smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCC[C@H](Nc1ccc(F)cc1)c1ccccc1	20005442	KFUOLGAMFRFJKP-INIZCTEOSA-N	243.325	4.779	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H](CC)CCCC	21055638	VZAMQBJCSALNHW-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCc1ccccc1N[C@@H]1C[C@@H](C)CC(C)(C)C1	21520570	ZYDYOWNQTMNOJA-UKRRQHHQSA-N	245.410	4.876	0	10	BJAE	
CCCCCNc1ccc(SC(F)F)cc1	35019806	IQNNLVLOSNKWST-UHFFFAOYSA-N	245.338	4.603	0	10	BJAE	
CCCCc1ccc([C@@H](O)C2CCCCC2)cc1	36171565	VFSLXXGURLEPIH-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H](C)C(C)C)cc1	36953558	RWWZEMNRAAFGLQ-CHWSQXEVSA-N	219.372	4.657	0	10	BJAE	
CSc1ccccc1NC1[C@@H](C)CCC[C@H]1C	36957231	WUTJHFZQOLXMJC-ODOQXGPZSA-N	249.423	4.645	0	10	BJAE	
CC(C)C[C@H](N[C@@H](C)C1(C)CC1)c1ccccc1	37508924	IBKJUBRHXFIYIU-HOCLYGCPSA-N	245.410	4.552	0	10	BJAE	
CCCCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1N	69406194	XRVOHLIJNMRZAQ-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cc(Cl)ccc2C)C1	70747522	KTVLBYXBLLCQFC-DGCLKSJQSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C3CC3)C2)cc1F	81624200	DXCAZHRSKVAYEL-UONOGXRCSA-N	247.357	4.515	0	10	BJAE	
CCCNCCCCCc1ccc(C(C)C)cc1	87729865	ZCAXIDGIHTWQBW-UHFFFAOYSA-N	247.426	4.522	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC(C)(C)C1	87769854	FWZRHHWDHKOXRG-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC1CCC([C@@H](C[C@@H](C)CC)NC)CC1	87963312	FHGIGIHTWZOJPG-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(C)C)C1CCC(CCC)CC1	87964490	WYHQPFFCNPEWNI-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)c2ccc(C(C)C)cc2)C1	88011577	FQZKVZZEVNFSQV-CJNGLKHVSA-N	244.378	4.819	0	10	BJAE	
CCC(CC)C[C@]1(N)CCC[C@@H](CC)CC1	127879169	YLTKAMOOLSQBGJ-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](Oc2cc(C)ccc2C)C1	130389358	LBDVFFNFFIPWHX-CABCVRRESA-N	232.367	4.651	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)C(CC)CC	132584235	IGTPFLHRJSNIGL-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CC[C@@H](N[C@H](C)C2CCCCCC2)C1	150104218	GTVJAXADGBXNEB-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCC(C)(C)C[C@@H]1C	155834095	HLQUAUXEGKPKQB-DZGCQCFKSA-N	231.383	4.622	0	10	BJAE	
CCCN[C@H](C=C(C)C)C1CCCCCCC1	159105066	WMELKAPMINVEEW-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)c1ccccc1CC	162192531	PAHUACSVWSKMNL-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)CC1CCCCC1	163363483	PTTBZAXGORCMRO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)c1ccc(C)s1	164302660	FOZZSRSLXIGWSB-YPMHNXCESA-N	239.428	4.533	0	10	BJAE	
CC(C)Cc1[nH]c2c(F)cccc2c1C(C)C	166053954	ILHPEXKDDJTPDY-UHFFFAOYSA-N	233.330	4.629	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C2CCCCCC2)CC1	167684643	UUHRYIQQPSMMFN-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)c1cc(C)c(C)s1	203611199	GZIBTCZMUUMKDL-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC2CCCCC2)CC1	203698365	MAAVRWSUAFFJMP-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](NC)C1CCC(C(C)(C)CC)CC1	211875309	BFMPDJRQHOWAFR-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(OCCC(F)(F)F)cc1	223008772	VTPYVMZTRVPGRO-JTQLQIEISA-N	246.272	4.531	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1cccc(C)c1Cl	229273014	VDQPDVKWKPAPEJ-ZWNOBZJWSA-N	240.774	4.508	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccc(C)cc1Cl	232887618	NJGNMNUYNGGERW-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(C(C)(C)C)cn1	232967400	IROYSUGWKTXCDQ-ZDUSSCGKSA-N	248.414	4.760	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)[C@H](C)CCC	233122562	AWUGAGVYULRXNL-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cs1	250183343	RQCPSUQCHSHJTB-FRRDWIJNSA-N	235.396	4.519	0	10	BJAE	
CCCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1NCC	250842918	YTCMPJXQUVGGKD-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@@H](C)C[C@H](C)CC)c1ccccc1	251095346	CBUFBUHXUJPALJ-VYDXJSESSA-N	247.426	4.942	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]2C1	263637875	QAQCPAHQVOKALN-QRTUWBSPSA-N	208.389	4.741	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	300282936	FBTBXJGEFJVSSS-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@H](C)CC(C)C	300864116	GUBJDMORYCCPFQ-ILXRZTDVSA-N	227.436	4.602	0	10	BJAE	
CCCC1CCC(O)(C[C@@H](C)CC(C)C)CC1	302404816	RYEIPGLKJBMXQS-FHERZECASA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C[C@](O)(CCC)C1CC1	304333254	NUPXTLKFSDFZIZ-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@]1(CCCC(C)(C)C)CCCCCN1	305932368	PENHPQGRCCTQQS-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CC[C@@H](C)[C@H](C)C1	306045137	OAXFIKBKAWEDCF-KBUPBQIOSA-N	239.447	4.616	0	10	BJAE	
CCc1ccc(N[C@H]2CC[C@H](CC)C2)cc1C	310068015	IRRQBRHLSDGDOV-BBRMVZONSA-N	231.383	4.548	0	10	BJAE	
CCC[C@]1(CC2CCC(C)(C)CC2)CCCN1	310457097	WYVKTZOEKOCNEX-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C[C@@H]1CCC[C@@H](C)C1	310785538	STMWMSVUDLRBRV-DAXOMENPSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CNC)CC[C@@H](C)C1	318016045	QSFIECRNZMGWOC-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@@H](C)CC)C1(C)CCCC1	318832914	FOZVYWKUUJNJOC-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C2CCC2)C2CC2)CC1	324711702	WQYMNAVVGCIVTN-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CC(C)NCC(C)(C)C[C@@H](C)C1CCCCC1	380064463	YTFHMDHGQYTEBC-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCCCCC(C)C)C1	383527755	MEHHFWITXDERSG-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)C(C)(C)C(C)(C)C	383879565	RHJNIHPGKTWNSC-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H]1CCCC[C@@H]1C	384689979	WRCKPBUAELMRMY-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCCCC[C@@]1(CN)CCCC[C@@H]1C	384786798	UXWHCWTWMLMOJS-HOTGVXAUSA-N	239.447	4.748	0	10	BJAE	
CCCC1(CNCC2CCCCCC2)CCC1	391802253	DCHQITQSQGGHAI-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CCCCC[C@@H]1C	395240957	UKNIGSFTXHSCQE-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H](N[C@@H](C)CCC1CC1)c1ccccc1	398054034	XRIGHPOSWRDJEI-YOEHRIQHSA-N	245.410	4.552	0	10	BJAE	
C[C@@H](CNc1ccc2ccccc2c1)C1CCC1	398671381	SHESHNJESPOCRC-ZDUSSCGKSA-N	239.362	4.688	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C[C@H](C)C1CCC1	398693210	HISNDNGIPKMQIA-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]([C@H](N)c1ccc2ccccc2c1)C(C)(C)C	399098702	ZNFFLRWFBNOWIZ-LRDDRELGSA-N	241.378	4.522	0	10	BJAE	
CC/C(=C/[C@@H]1CCCC[C@H]1CC)CNC(C)C	401741855	JPWVZTNKPCSUJV-PSRIFBLRSA-N	237.431	4.537	0	10	BJAE	
CC(C)(CCNC(C)(C)C)C[C@@H]1CC=CCC1	402370578	SFRAHOCCSHQULB-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC(C)(CCC(=O)C(C)(C)C1CCC1)C1CC1	405873845	STGQYVVXCWRXJJ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@H](O)C[C@@H](C)CC(C)(C)C)CCC1	686925269	BIZOBVMTHCZCBR-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCCC1(CN[C@@H](CC)C2CCCCC2)CC1	687541112	MTQAENQWIZDZQK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C[C@@H](CC)CC(F)F)NC(C)C	688848357	AEFQZWKPWMRJIL-CHWSQXEVSA-N	249.389	4.615	0	10	BJAE	
CCOc1cc(NC2CCCCCC2)ccc1C	689653416	GPZAVLWZBSYOLI-UHFFFAOYSA-N	247.382	4.528	0	10	BJAE	
CC[C@H](C)CCN[C@@H](C)c1c(C)cc(C)cc1C	696174720	NYCFOHOUGGHARY-LRDDRELGSA-N	247.426	4.699	0	10	BJAE	
CC(C)C1(C(=O)c2ccc(C3CCC3)cc2)CC1	697584060	GZMOTSYLXAMKNH-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC(C)=CCC[C@H](O)c1cccc2ccccc12	697606719	SSNAITMLWYQKPD-KRWDZBQOSA-N	240.346	4.620	0	10	BJAE	
CCC[C@H]1CCC[C@H](NC2CC3(CCC3)C2)CC1	697674505	VXTCJZWDGPCHNE-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)[C@]2(C)CC2(C)C)cc1	702218974	KWQVGLVVTCHUMM-KRWDZBQOSA-N	244.378	4.603	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1cc(C(C)(C)C)ccn1	703863270	OXJMYQHCSGSXLC-CYBMUJFWSA-N	248.414	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@@](N)(CC)[C@H]1CC1(C)C	704824792	ZESNQIRCLRICDY-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
C1CCCC(CNC[C@@H]2CCCC23CC3)CCC1	706289465	OQRXGTPOLWNNAA-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@H]2CCC[C@H]21	707834065	JPUPRLBGKSWUCR-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(NC[C@@H](C)CC(C)(C)C)c(C)c1	709096512	JFXZAPACIWQYLB-ZDUSSCGKSA-N	233.399	4.788	0	10	BJAE	
CCC[C@@H](Nc1csc(C)c1)[C@H]1CC1(C)C	710754815	IWTAQTMQLVASNM-CHWSQXEVSA-N	237.412	4.683	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C[C@H](C)C(C)(C)C	710757356	ICFAGZCKLIHGNV-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@@H]1C[C@H](C)Nc2ccccc21	713131579	FMHNCIPPDQPZON-STQMWFEESA-N	231.383	4.801	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)CC(C)(C)C(C)C	713210805	HXYKURTZSPYFLO-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)C1CCC(N)(C2CC3(CCC3)C2)CC1	717573541	YJSWSXOFXJTQCI-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CCCC(C)(C)CC1	718695768	XJGZGMRKPNXJOO-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CC[C@@H]2CCCC[C@H]2C1	723604524	DYGJNYOAHZHBHE-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](N)(CC)CCC[C@@H]1C[C@H]1C	1896918318	MWZZUQOZGQKIMX-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
Cc1ccsc1-c1nc([C@@H]2CC2(C)C)cs1	1901912511	QAOSODPUHAELRR-VIFPVBQESA-N	249.404	4.694	0	10	BJAE	
C=CC=CCCNc1ccccc1-c1ccccc1	1911928371	YZDPIGMDCDQFQE-UHFFFAOYSA-N	249.357	4.898	0	10	BJAE	
C=CC=CCCC1(CNC2CC2)CCCCCC1	1912084948	NUUKLFAKWTZPHL-UHFFFAOYSA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@]2(N)CCC3(CCCCC3)C2)C1	1915892211	JVSRSCNKSCZBTQ-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@@](O)(CC)C[C@H](C)CC	1919945179	VNTCMGQUABNLRZ-KGLIPLIRSA-N	214.393	4.534	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@@H]1CCC[C@@H](CC)C1	1919963968	ZYVZWSYMYRMSGB-ZJIFWQFVSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@](O)(CCC(C)(C)C)c1ccccc1	1920031696	YTBWMIHYCHCETF-KRWDZBQOSA-N	248.410	4.747	0	10	BJAE	
CCCC1CC(C(=O)[C@H]2CCCC[C@H]2CC)C1	1921274908	KEZSSWXVVOZHOS-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CCCC1CC(C(=O)CCC(C)(C)C2CC2)C1	1921308050	ZDEFVEFQDGEGIA-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(CN)CCCC12CCC2	1921656110	CVMMRRQDROWWLF-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)[C@H](C)C1CCCC1	1924078785	PHKYJTKPBRMFRE-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@](C)(CC)C[C@H]1C=CCCCC1	1925797368	DPFBHPXTSJLALJ-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CC[C@H](NC)[C@@H](C[C@H]2C=CCCCC2)C1	1925892448	SHHSAPPDGMFWIY-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@@H]1C=CCCCC1	1925944628	FQWGRSFTJMHBAF-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CCC(C)(C)CC	1936212398	LTKFALQXBALTCB-KGLIPLIRSA-N	227.436	4.602	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](O)C1(C)CCCCC1	1940875354	IPURTULMYXYRNM-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](NCCCCCC1CC1)C1CCCC1	1941592018	QDLIMPUZNCWPQN-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CCCC1(C)CC1	1941688490	WNYAQFMYVNLHHI-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@@H](N)C(C)(C)C1CCCC1)C(C)(C)C	1944643231	WFLKYLANCOXDCC-TZMCWYRMSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C)CN[C@H]1CCCC2(CCCC2)C1	1946454323	FQCXFVYBIVMYKI-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCCCCCC(C)C	1947466682	UHBKRNRTFYPZGG-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@@H]1C=CCCC1)NC	1947584949	BVMLAMWSTPBHIQ-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CC12CCCC2	1948072802	YDVIKWNPLGSWOY-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC1(C)CC(c2nc3ccc(Cl)cc3[nH]2)C1	1948408882	JQFALCOARCGIHK-UHFFFAOYSA-N	248.757	4.510	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CCC[C@@H]1CC1(C)C	1949053167	XNBQRXLCDNRKPD-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)[C@H]1CCC(C)(C)C1	1949403390	PRPRZPBNOXWWSX-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](NCC)[C@@H]1CCC2(CCCC2)C1	1949454724	ZFNKNDOAPXXGBI-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC1CC2(CCC2)C1	1949839525	AUOMTGOZQVNWIN-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C[C@@H](C)C(C)C	1949864024	IQSMVIQUAGHBHQ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(CC[C@H](O)CC2CCCCC2)C1	1949911368	CSNIWFANCPROIJ-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@]1(CNCC(C)C)CCC[C@@H](C)CC1	1950931452	XBADDUPJWHCCTG-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC1(CCNc2ccc(C3CCC3)cc2)CC1	1969958193	CGVDBRIIBULCIY-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCC(CC)(CC)NCC1CC(C(C)(C)C)C1	1970611482	AMNMWIBTNGQKPC-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC3CC2C3)cc1Cl	1970789011	LZFXZFPQTCSLHA-MBRGGSNBSA-N	249.785	4.503	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1Nc1cccc(C2CC2)c1	1972462957	XWTXICHSMNZENF-DOTOQJQBSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CC[C@@H](CNC2(C3CC3)CCCCC2)C1	1973779266	FCEPSOCRFNSQCB-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC=C(C)C)CCCCCC(C)C	1993596380	VSZZNSNRYCKHMJ-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC1(C)CC[C@H]1c1cc2cccc(Cl)c2[nH]1	1994130423	KUQJVYJAJCXPQZ-JTQLQIEISA-N	233.742	4.725	0	10	BJAE	
CC[C@H](C)Cc1coc2ccc(SC)cc12	1995463093	FUFDHEWNVUEGBE-JTQLQIEISA-N	234.364	4.743	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@](C)(O)C1(C)CCCCC1	1995990730	JPXALIVGZKKVMV-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H](N)CCC2CCCCC2)C1	1996248667	XNOCNJIBRUYDRS-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C1CCC(C)(C)CC1	1996595932	ZOTKSNHYEASXIK-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2CC=CC2)CC1	1997118052	VGUNUMYYRFABIW-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCCC(F)(F)C1=O	1997566940	JYTPFKWRZSZNNT-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCCCCC[C@@H](C)NC1[C@H]2CCC[C@H]1CC2	1997574081	XEPAJSGMVRJGJX-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCSc1ccccc1N[C@H](C)C1CC(C)C1	1998650872	PNXLBCZCENFHTN-OTTFEQOBSA-N	249.423	4.645	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@@H]1CCC=CCCC1	1999983265	KSJJBRSRJYBJFY-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@](O)(C1CCC1)[C@@H]1CCCC(C)(C)C1	2000040235	CDVJPYHQHBFLSS-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@@H](CCCC(C)C)NCCC	2000370403	CDLFTBQZAWBSEK-INIZCTEOSA-N	237.431	4.703	0	10	BJAE	
CCCC[C@](CC)(CN)CCC[C@@H]1CC1(C)C	2000493416	CIJASIZAFCJDDO-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H](C)[C@H](C)CC)CC1	2002926232	OWXNPAXWSOMTPY-KZTJAYLJSA-N	239.447	4.616	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(N)[C@@H]1CCC[C@H](C)C1	2002997107	AFLGNHPXEZGPGA-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C)[C@H]1CCC[C@@H](C)C1	2003027085	KNTSHQJFZYZBLS-BMFZPTHFSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1CCCCCCC[C@@H]1N	2003106463	RJLZWLONIJOBBI-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1CCCCC(F)(F)C1	2003180614	CHMSUJGHTAITSD-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
CCCC(CCC)CNCC1(C)CC(C)(C)C1	2004712633	UGGSZQRXSNMNOB-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC[C@H]2CC[C@@H]21	2004796458	WIDSDVAHRHIRNS-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC1(C(=O)CC2CCCC2)CCCCCCC1	2004937438	OVQNCGLWIAABFA-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCNC[C@@]1(CC=C(C)C)CCCCC1(C)C	2005587739	ZDWQZUGGHFDNAJ-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)CCC(C)(F)CC1	2005936122	AIVLACPDRXELLK-WLYUNCDWSA-N	244.394	4.626	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C(C)(C)C(C)C	2007943588	DLDFBDFVITVLMF-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@H](N)CC2(CCC2)C1	2012056509	HMMKUMMXTVXCJM-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2013305416	BUDILRAUCYVZET-QXSJWSMHSA-N	239.447	4.568	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)[C@@H]2CCC2(C)C)c1	2014904210	VHBXHUPZJLIYTE-HIFRSBDPSA-N	231.383	4.540	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)C)C(C)(C)C(C)C	2015271070	LZZKVQOSAKCRQD-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CCC(C(C)C)C(C)C)C(C)(C)C	2015398198	LFRURGVIGMDESD-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H]1C[C@@H](C)c2ccccc2N1	2015402899	WTBQWALXIZIHFB-BFHYXJOUSA-N	231.383	4.657	0	10	BJAE	
CCC1(CN[C@H](C)CCC=C(C)C)CCCC1	2016150140	QFMLVBPUUGEKQS-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)CC(C)=C(C)C)CC1	2017468848	OBWKIHOCHRIQPW-CVEARBPZSA-N	237.431	4.633	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1CC(CCC)C1	2017475515	OJGMEVZTCYJNDK-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)CCC2(C)CC2)CC1	2017659723	WXCLMYNQXBGOQJ-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@@H](NC)[C@@H](C)CC)CC1	2017724173	MHGRRYDZMNWIFT-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C)C[C@H](C)NC)CC1	2017732484	BHSHMYPTQTUSRX-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)Nc1c(C)cccc1F	2018140216	ZUZOMAAHWNBMMQ-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CC1(CC)CC1)NC	2018989833	INULRFAANIUPPI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@H](NC)C2CCCCCCC2)CC1	2018993829	HQHQXHMHICMNKL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@@H]2C[C@H](C)c3ccccc3N2)CC1	2019002714	UQIHTMRMGQLPLB-STQMWFEESA-N	229.367	4.555	0	10	BJAE	
C[C@@H](C[C@]1(O)CCCCCC1(C)C)C1CCC1	2019790538	LQXAYATUBYLQMY-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
O=C1CCCCCCC[C@H]1CC(F)=C1CCC1	2023187647	UWABGCOLKCMYFP-ZDUSSCGKSA-N	238.346	4.714	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CCCCC(C)(F)F	2023312210	SIJWWRAJMMJCDX-OCCSQVGLSA-N	248.357	4.533	0	10	BJAE	
Cc1ccc2nc3c(c(Cl)c2c1)[C@H](C)CCC3	2024608058	GXKOUKVJCNLSNQ-SNVBAGLBSA-N	245.753	4.636	0	10	BJAE	
CC1(Cc2csc([C@H]3CCCC3(C)C)n2)CC1	2026539666	FVURSAIYWGPQNW-GFCCVEGCSA-N	249.423	4.779	0	10	BJAE	
CC1(CCC[C@@H](N)C(C2CCC2)C2CCC2)CC1	2027820682	IWASDQQPAZMYJB-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](O)[C@H](CC(C)C)C(C)C)cc1C	2028241189	OYPAIJARAWHXEX-IAGOWNOFSA-N	248.410	4.655	0	10	BJAE	
CCC[C@@H](C(=O)c1cc(C)c(C)cc1C)C(C)C	2028256321	YJUKZBZSOPMNOL-OAHLLOKOSA-N	246.394	4.867	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1ccccc1C1CC1	2028549986	RLBOTRISSXBXOW-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](NC)c1ccccc1C1CC1	2028602406	IJWGCLGLNBDLGY-YOEHRIQHSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CC(C[C@]2(N)CC(C)(C)CC3(CC3)C2)C1	2030286698	FDOKPDNCQJWKDP-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)[C@@]12CCCC[C@H]1CCC2)C1CCC1	2031856565	ZKXGLPFLGUBRNB-UKPHBRMFSA-N	248.410	4.742	0	10	BJAE	
CC(C)C(C)(C)CNc1ccccc1C1(C)CC1	2032244498	DDUWBSFCLRPTJC-UHFFFAOYSA-N	245.410	4.832	0	10	BJAE	
CCC[C@@H](Nc1cccc(C2(C)CC2)c1)C1CC1	2032246298	MOIMSEZNZGTRAG-MRXNPFEDSA-N	243.394	4.729	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@@H]1CCC(C)(C)C1	2033396960	YTBJLIKTAFWRTQ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCCc1ccc(NC[C@H]2C=CCCC2)cc1	2035602238	VNVGORDNUGERLX-INIZCTEOSA-N	243.394	4.797	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)[C@@H](C)CC(C)C)cc1	2036386554	YLPTVMBENPRXBS-JYJNAYRXSA-N	247.426	4.716	0	10	BJAE	
C[C@H](C[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1)C1CCC1	2037163058	SXQKPAXVZQYDNI-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CC[C@@H]([C@H]2CCC3(CCCC3)C2)C1	2037700894	WYSLWQWAHRQUDF-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(NC[C@@H]2CC23CCCC3)cc1C	2039090329	AZVGCOOXQYKSSE-HNNXBMFYSA-N	243.394	4.550	0	10	BJAE	
CCCN[C@@H](c1cc(C)oc1C)C1(CC)CCC1	2039719465	IGFHYIMXQZXFMU-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)C23CCC(CC2)C3)c1	2039864014	FTCZELQJXKCOMR-VEAWUBTESA-N	247.357	4.515	0	10	BJAE	
CCc1ccc(CC)c(C(=O)CCC2CCC2)c1	2042746859	JCNLHGYNHRZKLN-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC(C)(C)C1CC(CCC(=O)c2ccccc2)C1	2043008505	CYWUMZSCFINRBL-UHFFFAOYSA-N	244.378	4.722	0	10	BJAE	
C[C@@H](NCCC1(C)CCCC1)C1CC2(CCC2)C1	2043547982	UUCXVDAAABCBRK-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C)c1ccc(C)c(C2=CCCCC2)c1	2043821734	TVWGNJAPGZMVQF-AWEZNQCLSA-N	243.394	4.623	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@H]2[C@H]3CCCC[C@H]32)cc1	2049204243	SEQXTMFWERCOAC-SJWGOKEGSA-N	244.378	4.768	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@H]1CC12CCCC2	2049642282	SHHOCOCCMSXYFW-CABCVRRESA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@]1(C)C=CCCC1	2050009039	LANSEPDVNLNHKR-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
C[C@@H](NC1C2CCCC1CCC2)C1CCCCC1	2050043592	VEDCWSBKXGTRLB-OHVXSQEESA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1[C@H](N)CCC1(C)CCCCC1	2050459206	UREDSIJTJRFSTN-MRXNPFEDSA-N	245.410	4.745	0	10	BJAE	
CCCN[C@@H](CC1CC1)[C@@H]1CCCCC12CCC2	2053411665	PDNRZDKHCRSSQB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2CCCCC23CC3)C1	2053433221	DRJZKOJTLCHGGQ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC[C@H]1CCCCC12CC2)C1CCCCC1	2053434993	ZFSPQXRKDCMRON-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1([C@@H]2CCC[C@@H]2C)CCC=CCCC1	2055277169	NBAWMZKBMJINGV-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
FCc1ccc(N[C@@H]2CCCC23CCCC3)cc1	2055677294	HJDHTCUZSAGZDS-OAHLLOKOSA-N	247.357	4.681	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@]1(C)CC=CCC1	2056872191	APXVWGQWTPEKPT-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCc1c(Cl)cccc1SC(F)(F)F	2059094222	NHMYWKMTYXQJQG-UHFFFAOYSA-N	240.677	4.514	0	10	BJAE	
C/C=C/CCC[C@@H](CC1=CCCCC1)NCCC	2059249464	HYKZEFHOPMNKBC-RCFWFJCLSA-N	249.442	4.992	0	10	BJAE	
CCc1c(C)cc(C(F)(F)F)cc1C(F)F	2060345679	JAIQUBJLOKFRQU-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC[C@H]1CC=C([C@@]2(O)CCCCC23CCC3)CC1	2061084854	MZTZTOJSHXGIBS-YOEHRIQHSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)[C@H]1CCC[C@@H]1C	2061091972	MJAYXFMBPUFMDD-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@]12CCC[C@H]1C2)C1(CC)CC1	2061570117	BPNCMRITUWDERE-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC1(CNC23CCCC2CCC3)CCCCCC1	2063904991	FFPWBAHCGMPZAL-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCCCC1(CNCC)CC2(C1)CC21CCC1	2064008613	XUCKKKGNPPPHNF-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@]12CC[C@H](Nc3cccc(C4CCC4)c3)[C@H]1C2	2065658649	USHDOIXPQDRADL-IXDOHACOSA-N	241.378	4.555	0	10	BJAE	
C1CCCC2(CC1)CCC(NC1CCCC1)CC2	2065892039	GXGJJWCJTJWRGO-UHFFFAOYSA-N	249.442	4.802	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)c1c(C)cccc1C	2068837529	SQMYBJSYCRALRY-HZPDHXFCSA-N	247.426	4.636	0	10	BJAE	
CCCC1(C[C@](C)(N)c2ccc(C)cc2)CCC1	2069341520	GDNFNXRAYOHWPF-INIZCTEOSA-N	245.410	4.529	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C1(CC2CCC2)CC1	2069564184	OERZJQUZCJZJCR-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@H]2C2CC2)CCCC1	2071798969	PFZSUMAQTLMJLK-DLBZAZTESA-N	249.442	4.658	0	10	BJAE	
CC(C)C1(CC(=O)C[C@@H]2CCC[C@H]3C[C@H]23)CCC1	2071922866	WSMOVENKYQNUST-OFQRWUPVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H]1CC12CCCCC2	2072422674	FCJCEEZAGSSFCQ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC[C@H](C)CC1)c1ccoc1	2072798278	IGRSNOQUHBNZLQ-DZKIICNBSA-N	249.398	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCCC3(CC3)C2)CC1	2072802319	WPOKSNZWBHWVSF-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@]23CCCC[C@H]2C3)CC1	2074091887	SQPORCTZGPEWDP-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)C1CC2(CC2)C1	2074633458	CWBJNNYTBKTHPV-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(CN2[C@H]3CCC[C@@H]2CC3)CC1	2075307478	QGVKRWXEUIETEC-UCUFBTAOSA-N	249.442	4.610	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@H]1C[C@H]1C1CCCC1	2079491248	HYNDQIPYBNLSRX-KBMXLJTQSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]1C1CCCCCC1	2079532891	XMSFEMJLHBOOOK-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
C1CCCC([C@@H]2C[C@H]2NCCCCC2CC2)CC1	2079533248	YJXCZIVNNWCIDK-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)C1	2082982617	MAKOSYMNQCXJAY-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C=C2CNC(C)(C)C2)CC(C)(C)C1	2082990771	LAMSLEXFLRCYES-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C(=O)c1cccc(C(C)(C)C)c1)C1CCC1	2083555689	SIXJDPJHSBIANG-GFCCVEGCSA-N	244.378	4.603	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC12CC2)CC1(CC)CCC1	2086346160	JPLKSLOBRJTALP-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1cccn1Cc1ccc(-c2ccccc2)cc1	2119860894	TXCYVVFFRVFXAZ-UHFFFAOYSA-N	247.341	4.512	0	10	BJAE	
CCCC[C@@](CC)(CCC)CN[C@@H](C)CC	2212580796	REGREFZWJCLTFK-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCCC[C@](C)(CN[C@@H](C)CC)C(C)C	2212584518	AIXBRIZEOVFARR-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
Fc1cccc(Cl)c1CC=Cc1ccccc1	2213825821	ZAIROJMSJCWDRN-UHFFFAOYSA-N	246.712	4.735	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1cccc(C(C)C)c1	2215314875	VGXDAVZBSOBQFR-HIFRSBDPSA-N	231.383	4.658	0	10	BJAE	
CC(C)=CCC[C@@]1(O)CCC[C@H](C(C)(C)C)C1	2216255681	DXSSEJXBSWWTLP-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@]1(O)CCC[C@@H](C(C)(C)C)C1	2216255717	FCJQAQGOIDJBLC-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
C[C@@]1(O)CCC[C@@H]1CCCCCCCC1CC1	2216877162	JBXWTQIETWCZDZ-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC(C)(C)C)C=CCCC1	2217126212	SYJAFZMOROIQBP-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@]1(CN[C@H](C)CC)CC=CC[C@H]1C	2217143032	YNBGCYGUTURPGS-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
Cc1ccccc1NC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218362192	UXBDRDBNNZPHBC-ZSHCYNCHSA-N	243.394	4.623	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218379018	YLQARZTXPASVPN-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
CCO[C@@H]1C[C@H](C/C=C/c2ccccc2)C1(C)C	2219077719	FYIPGYJXVQFBGP-UGTRGGQESA-N	244.378	4.541	0	10	BJAE	
CCCC[C@@H](C)[C@@H](C/C=C/c1ccccc1)NC	2219083280	CPZJVKQBUXYXHS-NSBLKUNKSA-N	245.410	4.504	0	10	BJAE	
C[C@H]1CC[C@@H]1CNC1CCC2(CCCCC2)CC1	2220606714	MYBZIPHAXIGUKN-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)c1ccccc1C(C)(C)C	2220959495	KLTMCMDBBIJUTA-OLZOCXBDSA-N	244.378	4.603	0	10	BJAE	
CC1=CC[C@](C)(NCC2CCC(C)(C)CC2)CC1	2221603367	VJKUDSYEFPEDEU-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCC1CCC1)[C@]1(C)CC=C(C)CC1	2221616804	VSYPAIUFXDHUSH-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC[C@@H]1CC1(C)C)[C@]1(C)CC=C(C)CC1	2221629554	ZTBYCGGGAOUAGN-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@@]1(C)CC=C(C)CC1	2221634436	ZNURKAOOOXRHOM-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@H](C)C2(C)CCCC2)CC1	2221641444	VNUIQTKGEQOION-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@]1(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC(=O)C1	2222970010	ASSXSWCZDGYGKI-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
C(CCCN[C@@]12CCCC[C@@H]1C2)CCCC1CC1	2223153036	VXEYCQQKJBNOCU-IAGOWNOFSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@@H](CN[C@H](C)CC)c1cccc(C)c1	2223551851	SUJWMGUANZSHHD-WBVHZDCISA-N	247.426	4.657	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CCC2)CC12CCCCC2	2223554201	DLSUMGJUKIMWOF-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CCC2)CCC=CCCC1	2223602266	ZBBLGJREQHOAFF-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@H](N)CC[C@H]1CCC[C@@H](C)C1	2242816193	MZSZRLCNEMRSHE-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](Nc2ccsc2)C1	2245456091	XZBWGXCSIKCEIQ-LBPRGKRZSA-N	237.412	4.765	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(C)CCCCCN2)C1	2246735408	YNQKBOFQLBLDRF-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CCCC[C@H]1C[C@H]1C	2247129157	MRGQUDMAJXPKNB-OWCLPIDISA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@H]1C)C[C@@H](C)CC	2247171586	LXHHIQAEORGJHU-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)CC1=CCCCC1	2247500841	RESXLDHUMNQULH-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)c1cccc(CC2=CCCCC2)c1O	2247559700	RURZFPUXJJCACE-UHFFFAOYSA-N	230.351	4.559	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cccc(C(C)(C)C)c1	2249309675	XCLWNUDZJAMXCQ-QWHCGFSZSA-N	233.399	4.831	0	10	BJAE	
Cc1cc(N[C@H](C)CCC(C)C)cc(C)c1C	2249491182	ODBYBYVGAOGKOI-CQSZACIVSA-N	233.399	4.848	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1=CCCCC1)NCC	2250356953	GUYKOICQKPGRRU-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)c1ccoc1	2250468506	DVGZABBPFXIVNA-HIFRSBDPSA-N	237.387	4.522	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1CC(CC(C)(C)C)C1	2251544983	TZOZGMMYEPZVTQ-IYXRBSQSSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]1[C@H](CC(CC)CC)CCC1(C)C	2251711243	HQKKEZYEYKTZEG-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H]1[C@H](NC)C(C)(C)CCC1(C)C	2251711756	KCDFXPDUEORZGI-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CC(=O)CCC2CC(C)C2)CCC1	2251765810	VGSOVTQWCYRZRN-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1ccc2ccsc2c1	2253091716	CGMQZFNCBUYVEZ-UHFFFAOYSA-N	246.375	4.766	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)C[C@@H]2CCCCC23CC3)C1	2253797345	YDIYKYDFOXJCJI-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1C[C@H](N)CC[C@H]1CCCCC12CC2	2253821481	LTINRFUSENEBQB-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1CC(C)([C@H](N)CC[C@@H]2CCCCC23CC3)C1	2253861563	FHURGPNIWAQIOX-PWUWZPNHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(CN)CCC23CCC3)C1	2253915301	FAYXRTWHTUHPCP-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(N)CC1CC2(CCCC2)C1	2254115468	OYECOGFIBHJBRT-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)C1C[C@H]2CCC[C@H](C1)C2	2254946687	RRRPPOFCBMOKBP-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@@H]1CCC12CCC2	2255013115	LPDGXUJDZJASIB-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CCC(N)(C[C@@H]2CCC23CCC3)CC1	2255015697	HLGMHDKYLHRBGK-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@@H]2CCC23CCC3)CC1	2255025302	PIQNZNXXNRQKLG-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(CCC2CC(=C3CCC3)C2)c(F)c1	2255442017	UCLKGAPEBSAFBY-UHFFFAOYSA-N	244.353	4.957	0	10	BJAE	
CC(C)CCCCCO[C@H](C)c1ccc(N)cc1	2257269010	AOXJLVOHFWTBJX-CQSZACIVSA-N	249.398	4.563	0	10	BJAE	
CCCN[C@H](c1ccccc1C)[C@H](CC)CCC	2259443349	LHBFRLXHPFFGQD-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
Cc1ccc2c(ccn2C[C@@]23CCC[C@@H]2CC3)c1	2260580989	CIZOTUKJKRRXLN-WBVHZDCISA-N	239.362	4.530	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2260679737	SUIAPRHNISGINZ-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@H]1CCNc2ccc(F)cc21)C1CCC1	2261340567	WZGBOPQYEDXBGH-WCQYABFASA-N	247.357	4.551	0	10	BJAE	
C=Cc1ccccc1C=Cc1ccc(OC)cc1	2297730516	UUMOWKLVJDKJIM-UHFFFAOYSA-N	236.314	4.509	0	10	BJAE	
C(=C/c1ccccc1)\CC[C@@H]1C[C@H]2CC[C@@H]1C2	2298617110	QNNQZLRTKXNSEA-IYTHYRFTSA-N	226.363	4.916	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H]1C[C@H]1CCC)NCC	2298645980	FPTWAKOXQWPELZ-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)[C@H](C)CC1CC1	2298853632	PMCDAVLOHASIJK-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC1(O)CC2(CC(C)(C)C2)C1	2300679052	PQBIBDVBCDFYKE-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@H]1CCCC12CCC2	2300679793	XDWMDEDWZYAWFF-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCC[C@@H](C(C)C)C1	2300680198	BDKBQKGAKUWRJF-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@]1(O)C[C@@H](C)CC(C)(C)C1	2300680628	GKCQVWZGEWENHE-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCC(C)=CC[C@]1(CNC)CCCCC1(C)C	2300860821	KUTQSNSZRFUPNH-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC=CC[C@@H](NCC)[C@@H]1CCCC(C)(C)CC1	2300871840	JORDSTCWKBKMOE-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CCCCC[C@@H]1C(C)C	2300901488	JTRIBGUEJFLGCH-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1CC(C)(C)[C@@H]1C	2302115385	MWMJPAJBGKWIOP-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1CCC(C)=C(C)C1	2303517124	UUIBUUPNEHFDEZ-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CC[C@H](C)CC2=O)CC1	2303519469	DSQKGATYNBWGGV-GLQYFDAESA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](CC)CC1(N)CC(C)(C)C(C)(C)C1	2307816862	JIUVPAIKVMBIQT-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CNC(C)(C)C)C(C)C	2307833195	ZKPUVEUMZZUFQF-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@H](C[C@H]1CC1(C)C)NCC	2307898762	MOSQFXKHAMBTFH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1CCC2(CC1)CC2	2307906904	AEXHTMXOWUHQTM-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@@]12CCCC[C@@H]1C2	2311130706	XARQGDZKFLUDLK-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@]1(C[C@@H]2C[C@H]2C2CCCCCC2)CCCN1	2311565226	BKYCDLOKYONOCY-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc2c1N[C@@H](CCC[C@@H]1C[C@H]1C)CC2	2312665293	LUHRJSQXUHRQCW-BMFZPTHFSA-N	243.394	4.548	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCC1	2313183947	YQIUHYVPMIIJTG-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](N)[C@@H]1CCCCC12CCC2	2313701938	NGIKRPKJINCXFJ-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316739248	PKMKIBLXSJDZOI-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC[C@H]1C[C@H]2C=C[C@H]1CCC2)NC	2317153977	DBWLXJXXOSCNKH-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)CCCC2=CCCCC2)C1	2318579845	IXAKQFMMAXNDFO-NVXWUHKLSA-N	249.442	4.778	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)C[C@@]12CCC[C@H]1C2	2318592817	MUQCBQFPCGVPJE-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
C=CC=CCC[C@H](CCC[C@H]1C[C@@H]1C)NCCC	2318943095	CTIGSUHTVYCWRG-YESZJQIVSA-N	249.442	4.703	0	10	BJAE	
c1cc(N[C@@H]2CCCC[C@H]3C[C@@H]32)cc(C2CC2)c1	2319346911	DWRKTGSHLWUGLT-BHYGNILZSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC[C@H]2CC[C@H]2C2CC2)C1	2319730690	OFHYXDCXEMAHHN-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC[C@@H]1CC[C@@H]1C1CC1	2319751558	XGOZCLUJHYECEJ-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@](CN)(C[C@@H]2CCC[C@H](C)C2)CC1	2320267313	DLMOWNYRCOJUBD-XKQJLSEDSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(C[C@@H]2CCC(C)=C(C)C2)C1	2320326130	CLLWJSJZWJDWEZ-ZACQAIPSSA-N	247.426	4.587	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H](C)C1CCC1	2320405646	DFIBZJSMLXPXBT-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@@H](CC1CC1)C1CC1	2320701611	ZFGSNNUMDUKCPC-SJORKVTESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@@H]2CCC23CCCC3)C1	2321612423	AYHOZLQWUASDRD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)C23CCC(CC2)C3)C1	2321645631	PVWBZEPGILOREC-UJEKJILKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@](O)(CC)c1ccc(C)cc1	2328209843	MAJCQNWXYLPQFV-WBVHZDCISA-N	248.410	4.809	0	10	BJAE	
C[C@@H](Nc1cccc(F)c1)c1ccccc1Cl	20011751	AFJXPNKHGYBMER-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CCCC[C@@H](CC)CNC1[C@@H](C)CCC[C@H]1C	21800733	QNJPDLGOJQOUEO-IUOOZAAYSA-N	239.447	4.617	0	10	BJAE	
CCCCCc1ccc(NCCCC)cc1	21818027	OHHAYGRNNAUMDL-UHFFFAOYSA-N	219.372	4.631	0	10	BJAE	
CCCCc1ccc([C@H](CCC(C)C)NC)cc1	35492997	HTUKOKFBSHHRCD-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CC(C)c1ccc(C[C@@H]2CCCCCC2=O)cc1	43650114	JALUBVTWWQWKHI-INIZCTEOSA-N	244.378	4.502	0	10	BJAE	
CC[C@@H](C)c1cc(C)cc([C@H](C)CC)c1N	60068470	MYBXGLCXFBYDST-VXGBXAGGSA-N	219.372	4.604	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](CC)CCC	71106253	VYEXPWBTHHGZLO-KBPBESRZSA-N	213.409	4.514	0	10	BJAE	
Cc1cc(C)c2c(C(C)C)cc(Cl)nc2c1	77255203	JQRNLQGTNNWPNQ-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2cccc(Cl)c2)[C@@H]1C	82857287	NCPWXCDYIKTKJQ-MISXGVKJSA-N	237.774	4.577	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2cccc(F)c2)CC1	86893824	AFXNQUDZDRCVGK-CYBMUJFWSA-N	235.346	4.597	0	10	BJAE	
CC(C)NCCCCCc1ccc(C(C)C)cc1	87729862	CMSBPNPCNMHQAE-UHFFFAOYSA-N	247.426	4.521	0	10	BJAE	
CCC1CCC([C@@H](N)c2ccc(C)c(C)c2)CC1	87934354	MUTJWLXISCIJDT-VMBOVVBDSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C1(CC)CCCC1	94900544	KQJSABQIEUDYTD-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CCC(=O)CC[C@H](CC)c1ccc(C)c(C)c1	107529276	GAPJFBGWYIEXCL-AWEZNQCLSA-N	232.367	4.556	0	10	BJAE	
Cc1ccc(-c2ccccc2)c(C(F)(F)F)c1	112734720	KHLJUIWVSGEVQX-UHFFFAOYSA-N	236.236	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C[C@@H](C)CCC	126087770	CAYKUZSARGEDIE-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)c1csc(-c2ccc(F)c(C)c2)n1	132277044	FNHPVJXQPZGHCF-VIFPVBQESA-N	249.354	4.771	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@@H](C)CC(C)(C)C	133353696	WHMSWBBGDWEBFH-TZMCWYRMSA-N	227.436	4.602	0	10	BJAE	
Cc1cc(C)c(-c2ccccc2C)c(C)c1	135807126	LKNANEBKEYKHMI-UHFFFAOYSA-N	210.320	4.587	0	10	BJAE	
Clc1cc(Cl)c2ccc3ccccc3c2n1	148842653	TYINKESFXSAAKS-UHFFFAOYSA-N	248.112	4.695	0	10	BJAE	
CCCN[C@@H](CC1CCCCCC1)c1ccco1	161957892	PJDZXCQEZNMUFV-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
CCCCC1CCC([C@@H](N)C[C@@H](C)CC)CC1	162423756	XGYWWEULOBIOPQ-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1cc(C)ccc1F	165793610	IBOHIJCWCJYPCH-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
CCCCCC[C@@]1(C)CC[C@@H](NCCC)C1	167128142	ZBJAGNZLZFINED-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc(CC(C)C)cc1	167179281	PGRAAEUEOBYEHE-ZDUSSCGKSA-N	232.367	4.504	0	10	BJAE	
CCC(CC)C[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	167552878	BIZAOKJYTXMTCF-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCC1CCC(CC(=O)CC(C)(C)C)CC1	200560866	XRGZPIBTCUDUDH-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](O)(CC2CCCCC2)C1	203677492	SLVOYCHHDCGWIH-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](C[C@H](C)CCC)C1	216359574	OQGPVVIIXWZTLM-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
Fc1ccc2cc(C3CCCCCC3)[nH]c2c1	216614768	NQEPQMHFPFRPJH-UHFFFAOYSA-N	231.314	4.745	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1	220569867	HSNHYQJBHYTXRO-SOUVJXGZSA-N	231.383	4.540	0	10	BJAE	
Cc1ccc(C(=O)CC2=CCCCC2)cc1Cl	231984527	UHENSWVMWDKJTH-UHFFFAOYSA-N	248.753	4.722	0	10	BJAE	
Cc1ccc(N)c(NCCCCCCC(C)C)c1	232541349	ZFKUIIJSWFKUGL-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
CCC[C@@H](C)C1(O)CCC(C(C)(C)CC)CC1	233273751	NVZMKLXIZKUDRS-VQCLRJIVSA-N	240.431	4.780	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@H]1[C@H](C)CCC	300461962	GPSUQEXTIMKXSD-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@H]1CCCCC1(C)C	300462252	HGOCKJLVXBWRMF-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1ccc(Cl)cc1	301000028	WZGOMIRCSJZYLA-NSHDSACASA-N	238.758	4.595	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCC2CCCCC2)CC1	302237297	BCFIUJQFQTYACF-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC(C)C)c1ccccc1	305950157	MWVSWDOKQPWWON-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](CCC1CCCC1)NC	308055099	BQJBWXDTYFGCBF-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1CCCC1	308102515	GXCYUHGNFFHOEL-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1C[C@H](NCC(C)(C)C2=CCCC2)CC[C@H]1C	308751740	ANRAYXCSAMYRNB-IJEWVQPXSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)c1occc1C	310690152	PRGYUDKSXMIQTA-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCNC[C@@]1(CCCC(C)C)CC[C@@H](CC)C1	317402205	GWSJMGQKCHRALS-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
C/C=C\C[C@]1(CNC(C)(C)C)CC[C@H](CC)C1	317766196	BXBOPGPEFOEADG-YFZPWRCSSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CC[C@]1(CNC(C)C)CCC[C@H](C)C1	319267887	ZWDOCJNPRLZKDF-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)c1ccc2sccc2c1	319682489	JSTKALFVGHQION-FIXISWKDSA-N	247.407	4.583	0	10	BJAE	
C[C@H](CSc1ccccc1N)C1CCCCC1	379953972	CMRPCOXRLKKNIZ-GFCCVEGCSA-N	249.423	4.577	0	10	BJAE	
Cc1cc(N[C@@H](C)CCC(C)(C)C)c(C)cc1O	381097162	PBRDKHCCEAXWAT-ZDUSSCGKSA-N	249.398	4.636	0	10	BJAE	
CCCN[C@@H](CC1CCC(C)CC1)[C@@H](C)CC	383541271	UKWJNJIYXRECEU-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CC1(C)CCCC1	383958199	JDKXZFWTWBJJLS-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cc(N)cc(F)c2)cc1	387352935	YUDXIAHCUKFHAU-NSHDSACASA-N	243.325	4.588	0	10	BJAE	
CNC[C@@H]1CCCCC[C@H]1CCC1=CCCCC1	395318258	KEUPBIMAZXIOIK-IRXDYDNUSA-N	249.442	4.683	0	10	BJAE	
Cc1cscc1NCC[C@@H](C)c1ccccc1	395702360	GBHJFKVZQVFKOO-GFCCVEGCSA-N	245.391	4.662	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H](C)C(C)(C)C	399326112	SCTDOOIOSNIRAW-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H]1C[C@H]2C=C[C@H]1CC2	402223271	UBYYMWAAPUHTAI-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(O)(CCC(C)(C)C2CC2)CC1	406069096	QGTBPNWDFBWBEV-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCC(C)(C)C1CC1	406081795	UIQJCBKGMYKLTK-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCCC1([C@@H](CCCC2CCC2)NCC)CC1	688359126	QBPVUEYUKHXJRG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCSc1cccc(NCCCC2CCC2)c1	688413694	SNXLOBJCDCOKPV-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CC(C)c1cccc(C(=O)CC2=CCCCC2)c1	688937406	QJSYYWAFDWHLMR-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
CC(C)CCCCCC1(CNC2CC2)CC=CC1	690455425	PXBFNIKVCPUHMD-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CCCC(C)C	691172820	YFLKWRSCPXRAKX-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](CC(C)C)[C@H](CC)c1ccc(C)cc1	695078334	MMZZLIDEONRTEM-IAGOWNOFSA-N	247.426	4.513	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@H]1CCCC2(CC2)C1	696016203	FAPVHRFUPKTCQO-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C(C)(CC)CC)C1(C)CCCC1	701159212	PCWVTMSSUZTNBV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)[C@@H](C)CC(C)(C)C	704728079	KPDUDFYOXMFPIS-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
CC[C@@](N)(CCCCCC(C)C)[C@@H]1CC1(C)C	704827687	QLUHWEDIGHKDMD-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC[C@](N)(CCCCCC(C)C)[C@H]1CC1(C)C	704827697	QLUHWEDIGHKDMD-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCc1ccccc1N[C@H](C)[C@]12CCCC[C@@H]1C2	709117892	ZDRUMACFIZFRKU-FRFSOERESA-N	243.394	4.630	0	10	BJAE	
C[C@H](C[C@H](N)C(C)(C)C(C)(C)C)CC(C)(C)C	709126573	JPOLGGPIVKJQAM-OLZOCXBDSA-N	241.463	4.848	0	10	BJAE	
C[C@@H](CC(=O)c1ccoc1Cl)CC(C)(C)C	709210126	GTNOBDMOOPBQBU-VIFPVBQESA-N	242.746	4.578	0	10	BJAE	
C[C@@H](C[C@@](C)(O)CC1CCCCC1)C(C)(C)C	710747175	INGQUXXAWSLZFT-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
Cc1scc(C(=O)C[C@H](C)C(C)(C)C)c1C	711132222	XGDTZDADRDMVEI-VIFPVBQESA-N	238.396	4.620	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H](C)C(C)(C)C)C1	711205289	AXRBFAVOSLNQAA-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)c1cscc1Cl	713127360	HBNQHCZDJDALMA-NSHDSACASA-N	246.803	4.507	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)c1cc(C)co1	716222814	GRWQMFSPOYAOGP-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCCNCC1(CC(C)(C)C)CCC=CCC1	718069580	WJSKKGAWTHOOIJ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1cc(C)ccc1F	718524034	CUZNBMLGNIBWIF-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)CC1CCCCCC1	718595852	RFCIPEVSMMJAKT-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1C)C1(C)CCC1	720711146	YGOFCDSGCXGGEM-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1Nc1ccc(C2CC2)cc1	821905828	HRFVQTDAWGPVAA-WBMJQRKESA-N	243.394	4.801	0	10	BJAE	
C=C/C=C\CCN1CCC[C@@H]1CCC1CCCC1	1642285099	IRAVPCFLQTUZFH-CWIOURORSA-N	247.426	4.554	0	10	BJAE	
CCCCN(C1CCCCC1)[C@H]1C=CCCC1	1643229316	TYHJNMZPSWEBMI-HNNXBMFYSA-N	235.415	4.530	0	10	BJAE	
CCCCCCN(C)C1CCCCCCC1	1644509615	AHGPLCMWSKDOCY-UHFFFAOYSA-N	225.420	4.611	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@H]1NCC1CCC=CCC1	1665723744	MYVCVCQNFMZLRI-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](NCC2(C)CCC3(CC2)CC3)C1	1875732434	UQZPHDZTRFIKDN-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)CCCC(C)C	1900579188	CHDLAOWXMSYIEV-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CCCc1ccc([C@@H](O)CCCC(C)C)s1	1900675012	DCEPWCBIQNPZPZ-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
CCCC(CCC)[C@@H](CC=C(C)CC)NC	1900844442	DQLZWLLSZCRWBX-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
c1sc(C2CCCCC2)nc1CC1CCC1	1901912235	NRHVXKQONGGKEH-UHFFFAOYSA-N	235.396	4.533	0	10	BJAE	
CCc1cscc1NC[C@@H](C)CC(C)(C)C	1902381164	KDBSYAZXCFCQLD-NSHDSACASA-N	239.428	4.795	0	10	BJAE	
Cc1sccc1O[C@H]1CCC2(CCCC2)C1	1904930557	DBZMTIJQFCTZFQ-LBPRGKRZSA-N	236.380	4.548	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1CCCCCC1	1905397429	FOJINCXUBMPORV-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC=CCCC[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	1908087066	WHPOEFKLUDWCSA-IJEWVQPXSA-N	238.415	4.556	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C1CC2(CCCC2)C1	1912594187	CNIJYJNCSGEYEQ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(C(=O)C2CC3(CCCC3)C2)s1	1912615703	GWENJZHJWWUWBM-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CC2(C)CCCCC2)[C@@H](C)C1	1916096623	RJQFTQKACKTKDM-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](O)(c1ccc(C)cc1)C1CCCCCC1	1919880335	ATGUGLYIWIVBFE-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)CCc1ccccc1	1919927075	IQRNLFMDXKWCOO-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
CCC1CC(C(=O)c2csc3ccccc23)C1	1921318935	FYISFXJZSPGXOK-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
Cc1cccc([C@@H](N)[C@H](C)C2CCCCC2)c1C	1924129707	HUWTULSMQRZWGM-PBHICJAKSA-N	245.410	4.520	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCC[C@@H](C)C1)C1CCCC1	1924139633	RLXVIQLMHIRGMX-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](C)C2CCCC2)cc1	1924141822	KSTBAMVCSMDMIW-ZDUSSCGKSA-N	244.378	4.648	0	10	BJAE	
Cc1cnc2cc(Cl)cc(Cl)c2c1Cl	1930881054	ZAPAWYCZXSGKGK-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
Cc1ccc(Sc2cc(Cl)ccn2)cc1C	1935594325	JRQFYZBQBYQXNX-UHFFFAOYSA-N	249.766	4.503	0	10	BJAE	
CC(C)=CCCC(=O)[C@H](CC(C)C)C(C)C	1936211206	PZGBAWKMBRNRBV-CQSZACIVSA-N	224.388	4.620	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H](C)CCC(C)C	1937160977	BCHXGSKQYKADJH-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@](N)([C@@H](C)CCC(C)C)C(C)(C)C	1937170354	UXDFSOKHAJFLPN-ZFWWWQNUSA-N	227.436	4.602	0	10	BJAE	
CC(C)(CNC(C)(C)C)CC1(C)CCCCC1	1940405392	HZYGWORFWPPNBA-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CC1(C)C)C(C)(C)CC	1940852095	BRQZXJMEFKPXHW-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1(C)CCCCC1)C1CCC(N)CC1	1940968072	RJTFNJYFLATHCV-NFOMZHRRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@@H](C)c1ccc(N)cc1)CC(C)(C)C	1940970567	KIGNRQWRQHQJLY-QWHCGFSZSA-N	233.399	4.835	0	10	BJAE	
CCCc1oc2c(C(C)C)ccc(C)c2c1O	1941149060	XXPPBVKISWQYJM-UHFFFAOYSA-N	232.323	4.523	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)C1CCC(CC)CC1	1941266020	YZSZPYGRXGSGCT-FJBKBRRZSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CCCC1CCC1)NC	1941272814	NCQHWMKMZULURU-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1C[C@@H](C)C[C@@H](C)C1)NC	1944201846	FPXKVKXVXLKAJT-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)C(C)(C)C1CCCC1	1944641581	LVJOGTRQWHCUOU-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCS[C@@H](C)C2)cc1	1946348743	BDIXWLQBZRLLCW-WFASDCNBSA-N	249.423	4.506	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@@H](N)CCC1CCCCC1	1948931381	XCNMIACPSNBWCH-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1C1(N)CCCCCCCCC1	1949067514	DTPRPYHVVWQUSN-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@@H]2CC[C@@H](C)C2)CC1	1949436495	XEBOVZUJCUIOAC-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)NC[C@@H]1C(C)=CCC[C@@H]1C	1950981828	YYIPUIOGISVOEA-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC2CC3(CCCC3)C2)C1	1964594174	LDUSDPLDCWKJQI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN2CCCCC23CCC3)C1	1966233460	YSZSLNTWASYSIO-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC(C)CCN[C@H]1CCCC2(CCCCC2)C1	1968286223	ZWJIDWIGHXMTJC-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC([C@H](C)N[C@@H](C)CCC)CC1	1968898584	DHGRWQFEBSERGF-FXQLRMTLSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)N(Cc1cccc(C)c1)CC(C)C	1971359729	YCCLQABKKOEZMW-UHFFFAOYSA-N	247.426	4.642	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCC12CC2)C1CCCCC1	1972724484	GPMRDAUIFPFWRE-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](NC[C@]12CCCC[C@@H]1C2)C1CCCCC1	1973225242	IHAIRSJKJVLNBQ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H]2C[C@H]2CC1)C1CCCCC1	1973358064	IFKFFZPOADOWPV-HZMVEIRTSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1csc(C(F)F)c1	1978582964	QAUHAKPJWAJQCB-SNVBAGLBSA-N	248.338	4.545	0	10	BJAE	
C[C@H](C[C@H]1CCCCCCC1=O)C(C)(C)C	1980350227	DXNKYMKRPCQXTP-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@H](C)CCC(=O)c1ccc(Cl)cc1	1988290931	JZYGNDPCIJYZQV-LLVKDONJSA-N	238.758	4.595	0	10	BJAE	
CCCCC[C@@](C)(N)CC1(CCC)CCC1	1988434732	NBKJGELZVBFOMT-CQSZACIVSA-N	225.420	4.645	0	10	BJAE	
CCCC1(C(=O)c2sc(C)cc2C)CCC1	1988461051	FAOOUCKHJBTMCC-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
Cc1ccc(C[C@H]2C=CCCC2)c(Cl)c1F	1993688576	MIHGISFLPIRBPL-NSHDSACASA-N	238.733	4.686	0	10	BJAE	
Cc1cc(Cl)c(C)c2c(CC(C)C)coc12	1995463005	DXNLLJZKPPADQG-UHFFFAOYSA-N	236.742	4.902	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1(C)CCCCC1)C1CCC1	1995988043	WSYHYBJQMVUDJS-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
Cc1c(Cl)cccc1NCC12CCC(CC1)C2	1997006206	ODWWTUDYYNWWCY-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NCCCC1CCC1	1997426087	KKBYZMMSDPAVLW-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@@H](O)CCC[C@H]1CCC=CCCC1	2000012300	VVUIMJZNZNRXER-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@@H]1CCC[C@@H]1C	2000314026	WXLIPJPPPUBLJQ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@@H](C[C@@H](C)CC(C)C)NC	2000321459	CTPQKCJWKKBKBK-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)C1(C)CCCCCC1	2000370588	DECLYLYNLXXWSA-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCN[C@H]([C@H](C)[C@H](C)CC)C(CC)(CC)CC	2000375198	ZRWJXSDEYVFGHD-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
CCCC[C@](C)(CN)C[C@@H](C)C1CCCCC1	2000483349	LUASZALVRMJMTK-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@H]1C=CCCC1	2000506598	BMARZHUNFBOQBE-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@H](C)C1CC1	2000511534	QKMJRGOMWJEJOT-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(=O)C[C@@H]1CC12CCCCC2)C(C)C	2001253859	KJFAKMGDEUQPMW-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CC12CCCC2	2001272224	RWPXZTUEUDZDQG-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C1(C)CCCCC1	2002504788	QVFRHJGYNKRWON-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@]1(C)CCCC1(F)F	2002580786	DARHYDCQMKPSII-CYBMUJFWSA-N	244.325	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CC2(C)CCCC2)C1	2002997856	GWEAJWNMMMQRMY-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(CC2(N)CCCCCCCC2)C1	2003094273	CVENZDNSPNKWOE-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CCC2(CC2)C1)C(C)(C)C	2003277712	MZUFNYIDWQLESL-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)C(=O)CC1CCC2(CC1)CC2	2003287679	MASASMVTCIHLMI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1(CCC)CCC1	2004224988	HBIIOWXEXLXDRX-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H]1CC(C)(C)CC[C@H]1CC=C(C)C	2004226478	HXGFJNCUYOYUCK-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCN1CCCC[C@H]1c1cccs1	2004435477	SAYLGGNFWUQSMA-AWEZNQCLSA-N	249.423	4.631	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCCC12CC2	2005544602	GGBUTTZYWGATAH-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@H](CCC=C(C)C)C1	2006629258	DXDIGIYNHKQRPH-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC1=C[C@@H](NC2CCCCCCCCC2)CC1	2007134201	SJPDMGKQXRXXKM-INIZCTEOSA-N	235.415	4.578	0	10	BJAE	
CCC1CC(C(=O)C2(C)CCC(C)(C)CC2)C1	2007681015	DORZYBWZLDXEKK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1CC(CC)C1)NC	2007748691	FZFASNRBKJDKPU-SSHXOBKSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNC(C)(C)C)C[C@@H](C)F	2007841742	AANSXUQSASTATP-HIFRSBDPSA-N	245.426	4.709	0	10	BJAE	
CC[C@@H](CO)C1CCCCCCCCCCC1	2008717827	WNXGWJUSHYPIMO-HNNXBMFYSA-N	240.431	4.926	0	10	BJAE	
CC[C@H]1C(=O)CC[C@@H]1CC1CCC(C)(C)CC1	2009239652	ZLYXEQJKQLVKAO-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	2009576197	JDLFJJVLHFXFPZ-QAMKJQMISA-N	236.399	4.764	0	10	BJAE	
CCN[C@@H](CC)CC1=CC[C@@H](C(C)(C)C)CC1	2010768498	ZPYCVCLLHXMWTC-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C)CCCC12CCC(CC1)CC2	2012836746	PMGSJGGHXSOLPP-QQFBHYJXSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@]3(C)C[C@@H]23)cc(C)c1Cl	2013053585	BAXAGNWOJJOMQU-GZBFAFLISA-N	249.785	4.557	0	10	BJAE	
CCC[C@H](CCC(C(C)C)C(C)C)CNCC	2015344285	JICLHWBFCUMFAP-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)C[C@@H](C)C(C)C	2015397358	HUOHAJPYHQZZLF-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CN)CC(C(C)C)C(C)C	2015410899	DXHDXQFKLVQUFL-INIZCTEOSA-N	241.463	4.850	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1(C(C)(C)C)CCC1	2017098604	VJFQUPLCPWUITO-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCC(C)C)CC1(C(C)C)CCC1	2017140260	FIXAJKZBWPWHCS-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CN[C@@H](C)[C@H]1CCCC(C)(C)C1	2017465547	WKMBOZZTCFNFJW-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CCC2(CO)CCCCC2)CC1	2017717861	UTVKWQSHZGVPLO-SHTZXODSSA-N	238.415	4.536	0	10	BJAE	
CCC1CCC(C[C@H](CCC(C)C)NC)CC1	2017731782	VOCKYJBHNPEWFQ-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)[C@H]1CCCC(C)(C)C1	2017787307	HJJQWWUPKQBFMZ-KGLIPLIRSA-N	239.447	4.712	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CC[C@@](C)(F)CC1	2018130635	PCWCKKOEGJYZJL-KFWWJZLASA-N	243.410	4.606	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1C[C@H]1C(C)(C)C	2022557526	OXOFHKJNLNSUND-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)C(C)(C)C(C)(C)C	2022683665	OOASNSKXYVMNIE-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCC(C)=C(C)C	2023336370	OKFBTTSHJAPNGW-MRXNPFEDSA-N	237.431	4.847	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C1CC(C(C)C)C1	2026163769	NBXISEHQASKDFC-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1C[C@H]2CCC[C@H]21	2027316068	GLWLYEUTLUGXEY-DJIMGWMZSA-N	241.378	4.555	0	10	BJAE	
C[C@@H]1CCC[C@]1(CCCC1(C)CC1)CNC1CC1	2027822470	QZPLRWWHBFUYFV-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)c1ccccc1C1CC1	2028615358	UKLAWNAHQLYWSF-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]21	2028788011	WUKLSALFWKKTFO-HRCADAONSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H](N[C@H]1CC(C)(C)CC2(CC2)C1)C1CCC1	2030281495	NRASINVFSYMPIM-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
N[C@H](C[C@@H]1[C@H]2CCCC[C@H]21)C1CCCCCCC1	2032819910	BWYKJNPCMLTIAW-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCC[C@H]1C1CC1	2035414609	XHYKMFXWDRDCIN-LTIDMASMSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@H]2CC(C)=C[C@H](C)C2)C1	2037045185	RFFMVTDNYGMVGY-OBCVZTRHSA-N	249.442	4.523	0	10	BJAE	
NC[C@@H]1CCCCC[C@@H]1[C@H]1CCC2(CCCC2)C1	2037694612	NQPVYBGZYFBEEZ-HRCADAONSA-N	249.442	4.502	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1CC12CCCCC2	2038997686	VURFHTMZGPCDBD-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1CC12CCCCC2	2038997687	VURFHTMZGPCDBD-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@H]2C(C)=CCC[C@H]2C)C1	2039437202	RSDYSGQUVJRHGW-NRKLIOEPSA-N	249.442	4.523	0	10	BJAE	
NC[C@@H]1CC12CCC(CCCCCC1CC1)CC2	2040477381	JMHQRAXYZRDZLJ-CGZBRXJRSA-N	249.442	4.502	0	10	BJAE	
CCc1cc(NC2[C@H]3CCC[C@H]2CC3)ccc1C	2042047637	MEXYDGMSEZFDKY-GJZGRUSLSA-N	243.394	4.548	0	10	BJAE	
CC1(C)CC(NCC[C@H]2CC=CCC2)CC1(C)C	2042386747	XOIILCSHLBKUEQ-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@H](C)CC1=CCCCC1)C1CCCCC1	2043193738	ZGGTXGUNSDRMPT-CABCVRRESA-N	249.442	4.824	0	10	BJAE	
CC1CC([C@H](C)N[C@H]2CCCC3(CCCC3)C2)C1	2043547902	UISNJTQPNDKNDJ-GRAKBVBRSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C[C@H]2CCC=CCCC2)=C[C@H](O)C1	2045347035	YXLFGUKGYIKTDJ-HOCLYGCPSA-N	248.410	4.620	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@H]2CCC2(C)C)cc1	2045584112	CSTNSGLIEZZFBX-OAHLLOKOSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](C[C@@H]1CC=CCC1)NC	2045730617	QINWNXYODHZRNK-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCCCN(C[C@H](C)CC(C)C)c1ccccc1	2046577520	QACDBWSJXPKCIH-MRXNPFEDSA-N	247.426	4.975	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CC23CCCC3)CC1	2047057161	YSHLSZZRAPOYMM-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
C1CCC[C@@H]2[C@H](CC1)C[C@H]2NCCCCC1CC1	2047434014	GULQGRHFQLTSEQ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(CCCN[C@@H]2C[C@@H]3CCCCCC[C@H]32)CC1	2047445281	HPWRGUKAFDCYPG-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
O[C@@]1(C[C@@H]2C=CCC2)CCCCC12CCCCC2	2047597278	UGVZHXZFEXTGEX-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(NC[C@@]2(C)CC=CCC2)cc1	2047727463	XSGMXORZZOUABH-KRWDZBQOSA-N	243.394	4.968	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNCC2(C)CC=CC2)CC1	2047729066	MSMLNLPLFQDSGN-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C[C@@H]2C=CCCC2)C1	2049541868	ZJIBWLNRTORUAE-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CC1(C[C@H](N)CC2[C@@H]3CCCCC[C@@H]23)CCCC1	2049796308	XQIUTUSGFOXOKI-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCC2(CC1)CC2)C1CCCCCC1	2049854239	JFZWLSOKAVWWRQ-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCC1([C@H](C[C@@H]2CCC3(CC3)C2)NC)CCCC1	2049855001	NBMOPOUTONJHRO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2CCCC3(CC3)C2)C1	2049862686	YJQJKJHACSYYCQ-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCCC1([C@H](C[C@H]2CCC3(CC3)C2)NCC)CC1	2049863593	HOHQEVJGTSTWER-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@@]1(C)C=CCCC1	2050000359	NBTHKEUWWDDDNB-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC(C)(C)C(C)C)c1cccc(C)c1	2050455137	BLMCWXTVOCAFPA-MRXNPFEDSA-N	247.426	4.718	0	10	BJAE	
CCC1(CC)CCC(N)([C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2051597672	YMACKGXKJXUITM-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CNC(C)(C)C)C1CC=CC1	2053694807	PRAQSPDVDUNEJL-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H](C)c2ccc(C)cc2)CCC1	2055539135	HFIUHTZUTXTVAO-RDJZCZTQSA-N	243.394	4.535	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@H]1CCC12CCC2	2059176291	YOMGZYZZCKKUIX-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@]1(CNC(C)C)CCCC12CC2	2059252427	ICQSKSRJXUJSIQ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@](O)(CC2CC(=C3CCC3)C2)CCC1	2061689510	ADRCFVPSLWLOFW-QGZVFWFLSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC2CC(=C3CC3)C2)C1	2061700158	UXMXPTQGJBZCDH-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)CC1CC(=C2CCC2)C1	2061701729	NENUQICUGFLIDU-CXAGYDPISA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@H]1CCCNc1cccc(C2(C)CC2)c1	2062641762	LCTQKAOWCYPJNB-UONOGXRCSA-N	243.394	4.586	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)C2CCC3(CC2)CC3)C1	2062818822	IMKIJYLATPVGJK-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063502345	WBKUJIZETWLNMK-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@@H](C)C1CCCCC1)c1occc1C	2063679277	YBKBZSMWXRDUFG-ZFWWWQNUSA-N	249.398	4.598	0	10	BJAE	
CC1(C)CCC[C@H](NCC23CCC(CC2)CC3)C1	2065263212	VRPSHZQAWDKYGW-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@H](C)c1ccccc1	2065992559	JRJZUNOQLGWHCJ-RDJZCZTQSA-N	247.426	4.724	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](CC23CCC(CC2)CC3)N1	2066378822	SWSXLQHCMYSTNX-GMRIPVOYSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H](C)C[C@H]1CCCc2ccccc2C1=O	2068991018	JWZPNNNFEPLWNQ-UKRRQHHQSA-N	244.378	4.504	0	10	BJAE	
CCCC1(C[C@H](N)c2ccc(C)cc2C)CCC1	2069267945	IXSKJVHXNPNRBR-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)C1(CC2CC2)CC1	2069507520	ROQAXYDYWLWSFJ-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@H]1C)[C@@]1(C)C=CCCC1	2070866149	CMYCDMFHRMVLTB-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C[C@H]1C[C@H]1CC	2071510743	KLZJVORAAUSOSG-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H]2C=CCC[C@H]2C)CC1	2072802808	BLGIPSIFKSZZIG-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@](C)(N[C@H]2CCC23CCCCC3)C1	2073065219	CSWFIUPAXADSPY-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCC1(CC(=O)C(C2CCC2)C2CCC2)CC1	2074568456	HENAOEPUFQDQPY-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCCC1CC(N(C)[C@@H](C)c2ccccc2)C1	2074789408	NPDATSSBEMRISU-UQPPLGOBSA-N	245.410	4.648	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1c(C)cccc1F	2076040382	DRTRWOMZTLGYCS-OAHLLOKOSA-N	249.373	4.531	0	10	BJAE	
CCc1cc(-c2ccccc2C(C)C)ccc1O	2076826437	QFKRHDXRFCUESO-UHFFFAOYSA-N	240.346	4.745	0	10	BJAE	
N[C@H](CCC1CCC1)C[C@H]1C[C@@H]1C1CCCCC1	2079630865	YGRMUOABBIULNR-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1ccccc1C1(C)CC1	2079650991	NRNFPANGUFRHPB-UONOGXRCSA-N	243.394	4.586	0	10	BJAE	
C[C@](N)(CC1CCC1)C[C@@H]1C[C@H]1C1CCCCC1	2079832234	MJYDHYHBHHGFLG-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC=C(C)C)C1=CC[C@@H](C(C)(C)C)CC1	2081783778	YVDBGVKASDZHDR-HZPDHXFCSA-N	249.442	4.703	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2CCCNC23CCC3)C1	2082980244	TZNDLUCMGBKDSX-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C2(C3CCC3)CC2)C1	2082982816	NRFHSDPYKHULDD-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1=CCCCC1	2084519158	GMWQJOUABLIDMW-ACHSLPGTSA-N	247.426	4.530	0	10	BJAE	
C[C@H]1C[C@@H](CCC2(F)CCC2)Nc2ccccc21	2084766031	BASUEQHQKCJHKD-QWHCGFSZSA-N	247.357	4.647	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCCCC1CC1	2211123474	ZXHGXIYQUODGHQ-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CCCCC1CC1)NC	2214568093	FPWHNQVIKXTVSI-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(O)CCCCC1CC1	2214582927	POYOLMSGSOCZMK-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@H](N)C2CCCCC2)C1	2214769434	YJNVQFBPWDJCME-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](O)C[C@@H](CC)C(C)(C)C	2215233482	OEJJQRLEAUCJMM-LXTVHRRPSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1ccccc1C(C)C	2215310327	CYAMMNPJMFVZJT-UONOGXRCSA-N	231.383	4.658	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)CCC1CCCCC1	2215340876	KLWDTLQHSLASAF-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCCC(=O)CC1CCCCC1	2215361279	DJGTVIUBJZVYFH-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
CC1=CC[C@](C)([C@@H](O)CCC(C)=C(C)C)CC1	2215813639	OMHDFOVFIISJEX-HOTGVXAUSA-N	236.399	4.620	0	10	BJAE	
O[C@@H](CCCCC(F)F)C1CCCCCCC1	2216452117	ORTRRCATTKSNEL-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCC(C)(C)CNCCCCCCCC1CC1	2216884872	ZWFFZUISUAMFPT-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](CCC1CCCC1)CNC1CCC1	2217143510	XBUDMSRFPAZREW-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CCC2(CC2)C1	2217239946	CUUYJWJPALHFBO-ZDUSSCGKSA-N	249.785	4.647	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@@H]2C[C@H]2C1	2217240201	HFJLBZLJPQEOEO-MBNYWOFBSA-N	249.785	4.503	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218382549	LORFUQAXNAJTDZ-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@]2(CN)CCCC2(C)C)CC2(CCC2)C1	2221037471	WDPHXOLDYBAKCV-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
CCNC[C@@]1(CCC2CCCC2)CC=C(C)CC1	2221664849	NLYWRQGBZGRQIF-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1=CC[C@](CNC(C)C)([C@H]2CCC2(C)C)CC1	2221666257	XQOHTFBGDOFYRY-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCCN(C)[C@H]1CCC[C@H](C(C)(C)C)C1	2222269648	SOGHKHHEAAYZAT-HOTGVXAUSA-N	249.442	4.655	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@@H]1CC[C@H]2C[C@H]21	2223130297	LGHAGKVGSKHKJL-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)C[C@@H](C)CC(C)C)cc1	2223965546	KPVQNGHVLOVSEF-LSDHHAIUSA-N	246.394	4.740	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1csc(C2CC2)c1	2243500283	HZGKUVQDZXIKJR-SNVBAGLBSA-N	236.380	4.635	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@](C)(N)C2(C)CCC2)C1	2246723748	ASGUVXCGESYIMS-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@](C)(CC)CCCC[C@H]1C[C@@H]1C	2247167881	YWIKPTBGYSVQSO-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCC1CC(CC(=O)CCCC[C@H]2C[C@H]2C)C1	2247174737	HNCKJBSITQSXPW-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C1(C)CCCCC1	2247176971	SXHLASNYBDYARD-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@H]2CCC23CCC3)c1	2247394802	RQGXTUGZOYXTPB-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1CC(=C2CCC2)C1	2250351195	ASQQDIZWVWCHKD-CYBMUJFWSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1[C@@H]2CCCCC[C@@H]12	2250357564	XAHIVSYWEHVTPV-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(N)CCC[C@@H]1C	2250475731	LRNJBIGKDKCXCX-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](O)c1ccco1	2250495831	MCVYFEOFWKRPRQ-KGLIPLIRSA-N	238.371	4.556	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C(C)C)[C@H](C)N	2250526275	BRTCOFFGPPKFOO-JYJNAYRXSA-N	241.463	4.848	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@]12CCC[C@@H]1CC2	2251225724	XFASEXQMMYZDMD-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
Nc1cscc1-c1cccc(C2CCCC2)c1	2251253728	RCTVXDQCIFDDCI-UHFFFAOYSA-N	243.375	4.655	0	10	BJAE	
CCC(CC)C[C@H]1CCNc2ccc(F)cc21	2251636175	MJPWXKWGAUZDPZ-GFCCVEGCSA-N	235.346	4.551	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)C2CC3(CCC3)C2)C1	2253931227	PTRKOQJVOHBUJY-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)C1	2253931592	RJBHORXXFKEBTQ-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H](C)CC(N)(CC2CC3(CCCC3)C2)C1	2254106132	IBBRHFOJPSLXBE-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CCC1(C)C)c1ccco1	2255029378	ZPNGVRZOSTVJTB-KGLIPLIRSA-N	249.398	4.537	0	10	BJAE	
CC=C(CC)[C@@H](NCC)c1ccc(CCC)cc1	2256293589	GGXWXDQXAWMWHJ-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cc(C)c(C)c(C)c1	2258238116	KVVMECHKVUFMER-NVXWUHKLSA-N	245.410	4.993	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccccc1C1(C)CC1	2259434548	CRGINCBSBOCKEB-BBRMVZONSA-N	245.410	4.564	0	10	BJAE	
CC1CC2(C1)CC(CC1(N)CCC(C)(C)CC1)C2	2259570596	UKRMCGHVIGQTDY-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@]23CCC[C@H]2CC3)CC1	2260561023	JEZXDQKGMMAKHC-QAETUUGQSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@@]12CCC[C@@H]1CC2	2260587840	PEVQXKXZNKZIQD-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)cc1NC[C@@]12CCCC[C@@H]1CC2	2260624229	OOGHJTNDLFEMEL-CJNGLKHVSA-N	247.357	4.516	0	10	BJAE	
C[C@H]1CC=C([C@@H](N)C2CC(CC(C)(C)C)C2)CC1	2261186144	QSFPSFBQQVCOPO-ADNDVJRGSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC[C@@H]1C[C@@H]1C)NCCC	2298128709	OJDSMESJLHWCNT-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(O)CCCC(C)(C)CC1	2298849742	GTAHUJIBKDYQRC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H](C(C)C)CC[C@H]1O	2300675424	FCHBJVVLOSUALX-ARFHVFGLSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C1(C)CC(C)C1	2300880921	PMOQUSWUFWPTKJ-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CCCCC12CCC2	2300908026	YTPLQXAYQDZIPZ-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)CC1CCCCCC1	2301139027	CKFXTJJFPILCLA-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@](N)(CC)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301140400	OQTQMBIKTUOZSF-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCN(CC1CCCCCC1)C1CCCC1	2301144091	AAZGSEJHJBKKBQ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC1(C)CC[C@H](O)[C@H](CC2CCCCCC2)C1	2301240294	YGSVJXVZMGZNFX-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](N)CC1CCCCCC1	2301954439	ZTIOMWSLDUOXID-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
Cc1c(F)ccc([C@@H](C)Nc2ccsc2)c1C	2302254162	JLGAHEXFNPOIOP-LLVKDONJSA-N	249.354	4.677	0	10	BJAE	
C[C@H]1C(=O)CCC[C@@H]1CCCC1=CCCCC1	2302344916	LSTNWPORHFNGOD-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](C)c1nc([C@@]23CCC[C@@H]2C3)cs1	2307699566	DAWFHPAKOVNNNV-YWPYICTPSA-N	249.423	4.878	0	10	BJAE	
CCC[C@@H](CC)CC1(N)CCC(C2CC2)CC1	2307823387	QFWRWUKFRAODIJ-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC1(CO)CC(C(C)(C)C)C1	2307897592	CKXUVRXHKLGUGR-HLIUYOAVSA-N	240.431	4.638	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC[C@H]1CC1(C)C)NC	2307905195	WAMSKPRRUAFLCV-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CC[C@@]3(C)C[C@@H]23)CC1	2310549971	LVPCPXMYVKKVMV-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@@H]2C[C@H]2C(C)C)cc1	2311603604	BLIRAUMYHVQXER-KMFMINBZSA-N	246.394	4.871	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@@H](C)CC2CCC2)cc1	2313660770	SKGNQROOYBXXEF-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316749096	HKIBFGMRSKRBSB-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1CC12CCCCC2	2316884677	MJASVITXTGMJPB-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC[C@](O)(CC1CCCCCC1)c1ccccc1	2316964596	JCQMRQPNFLTSOU-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
C1CCCC(C[C@@H]2CCCC[C@@]23CCNC3)CC1	2317001795	NJPXHQNKAPAOMA-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1C(C)(C)C[C@@]1(N)CC[C@@H]1CCCCC12CC2	2318241111	NVOHMPOUJWXJAW-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CCCC1=CCCCC1	2318549779	ZZZOQBBHSUFFGI-DOTOQJQBSA-N	249.442	4.955	0	10	BJAE	
CC1(C)CCCCCN1CCCC1=CCCCC1	2318597121	HJYNZICWTQXOCS-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2318883016	PJAXDRHDCCUZHT-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCC1CC1)C[C@H]1CC[C@H]1C1CC1	2319549758	IKQQKRWAFHWGCX-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC[C@@H]1CC[C@H]1C1CC1	2319731251	SHGJWCIQQCULML-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@H]1CC[C@@H]1C(C)(C)C	2320215056	GWAZKEXGJXAHHM-KBPBESRZSA-N	244.378	4.558	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2C[C@H]3CC[C@@H]3C2)CC1	2320393831	JTKYEJUQOPSZCF-RBSFLKMASA-N	246.394	4.518	0	10	BJAE	
CCC1(NC[C@@H]2CCC(C)=C(C)C2)CCCCC1	2320410736	GMIQGEWUWBTYQD-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@@H]2CCC(C)=C(C)C2)C1	2320420464	PUYVBWCWFVRAAR-XHSDSOJGSA-N	248.410	4.908	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](N)c1cccc(C(C)C)c1	2320527273	JNIUAZFOLPINEA-HYVNUMGLSA-N	245.410	4.636	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1	2321084666	JODAXAVTXJBGNN-SLEUVZQESA-N	249.373	4.625	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C23CC(CC(C)C)(C2)C3)C1	2321636407	IOOPAXWMUJMDPH-JCAIJIATSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cccc(C(C)C)c1F	2327808523	XMUXALFURDFXFM-OCCSQVGLSA-N	249.373	4.940	0	10	BJAE	
CCCCCCc1ccc([C@H](O)C2CCC2)cc1	2327900008	RBJGQMLSYHZGAU-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1cc(C)cc(C)c1C	2328273682	CVUORJLJQMPVKL-DOTOQJQBSA-N	248.410	4.862	0	10	BJAE	
Cc1cccc(Nc2cc(C)c3ccccc3n2)c1	5589673	FWUCMKWUGMLQSR-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC[C@@H]1C)c1ccccc1	20002386	YLCKYIRNZPVGIT-XIRDDKMYSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(C)cc1F	20371394	ZEJBVTYRXFQJDG-DGCLKSJQSA-N	237.362	4.761	0	10	BJAE	
CCCCc1ccc(N[C@@H](C)[C@H](C)CC)cc1	21796861	AHMDBUMSYPBZBH-KGLIPLIRSA-N	233.399	4.876	0	10	BJAE	
CC[C@H](Nc1cc(Cl)cc(Cl)c1)C(C)C	37199581	DSWCRLBYFADNST-LBPRGKRZSA-N	246.181	4.840	0	10	BJAE	
CCCCC[C@H](O)c1ccc(Cl)cc1Cl	40941096	WBQKHYDQNMMLJH-LBPRGKRZSA-N	247.165	4.607	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)c1ccsc1	50328684	BDVSAFWDSCTSCR-OAHLLOKOSA-N	249.423	4.679	0	10	BJAE	
CCCc1ccc(N[C@H](CC)c2ccco2)cc1	54083373	BAVHTGCZAIDXMR-OAHLLOKOSA-N	243.350	4.795	0	10	BJAE	
Cc1c(Oc2ccccc2)ssc1=S	59520052	MXZOJDXORFSFHZ-UHFFFAOYSA-N	240.374	4.640	0	10	BJAE	
Cc1nc2cc(Cl)ccc2c(Cl)c1Cl	68135609	CKSGSQXFPNZLDV-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCCC[C@@H]1CC	71160900	YCVSPGQWOCZAQZ-PMPSAXMXSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1cccc2ccccc12	79904326	ZTIXTCLMBTWUCW-DYVFJYSZSA-N	241.378	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1Cc2ccccc2N1	86649792	UWOACFOIDXZCIP-DZGCQCFKSA-N	231.383	4.630	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C)CC2)c(F)c1	86880621	ZEHPKXQEVGCSIU-YPMHNXCESA-N	235.346	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1ccc(C(C)(C)C)cc1	87176046	IIVWMLBCNIDUQF-XJKSGUPXSA-N	248.410	4.844	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)[C@@H]1CCC[C@@H](C)C1	93676242	ZRZBKSAEFVWRMJ-VEWWLGSESA-N	237.431	4.537	0	10	BJAE	
CC(C)c1cccc2c(Cl)c3c(nc12)CCC3	103943018	PICPDBORDZQRLF-UHFFFAOYSA-N	245.753	4.500	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCC(C)(C)C2)CC1	131341488	FDCGMNXSILFEDT-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCNCCC(C)(C)[C@H]1CCC[C@@H](CC)C1	133908220	TWVLXOXNXIQGNZ-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C(C)C)cc1Cl	135040059	HSLKAXGHBDIDEG-NSHDSACASA-N	239.790	4.524	0	10	BJAE	
CC[C@@H](C)c1nc(Cl)c(Cl)cc1Cl	143999234	VTYKIHCTNLQBPE-RXMQYKEDSA-N	238.545	4.555	0	10	BJAE	
CCC(CC)C[C@H](CNCC(C)C)CC(C)C	149019525	GZJMFTDMEAZZBI-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC(C)(C)C[C@H]2C)c1	155826055	QARZSUPSIIPWCO-GDBMZVCRSA-N	245.410	4.930	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1cc(C)oc1C	164273740	RNOURHKRZWNDSM-ZDUSSCGKSA-N	236.355	4.686	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1Cc2ccccc21	167724452	DLSMRYOFYQTPIM-UKRRQHHQSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@@H]1CC[C@H](C)[C@H](C)C1	168203232	YPRIPIPTNDGEIS-NPJQDHAYSA-N	239.447	4.602	0	10	BJAE	
C(=C/c1ccccc1)\Cc1cc2ccccc2o1	216521558	GLVXZXBMDPVBKY-RMKNXTFCSA-N	234.298	4.689	0	10	BJAE	
CC[C@H](N[C@H]1C[C@@H](C)CC[C@@H]1C)c1ccccc1	222053163	MPJVGXCPNPSNIQ-OTRWWLKZSA-N	245.410	4.552	0	10	BJAE	
C[C@@H]1CCC[C@H](NCCCC2CCCC2)CC1	225035264	XCFWDTCZZVJQKG-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cccc(Cl)c1C	229617051	DRGJXBXJBSSASU-RISCZKNCSA-N	237.774	4.639	0	10	BJAE	
CC(C)C[C@H]1CCC[C@H](N[C@@H](C)c2ccco2)C1	230767218	PSZUDIQCLXZMBD-ZNMIVQPWSA-N	249.398	4.535	0	10	BJAE	
CCCCCC[C@@H](C)Oc1ccc(C)cc1C=O	232936969	NBQBAKFCHVQLRJ-CQSZACIVSA-N	248.366	4.545	0	10	BJAE	
CCC(C)(C)CNc1ccc2ccccc2c1	233049955	XOMGEGZITYGXHQ-UHFFFAOYSA-N	227.351	4.688	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@@H](C)C1CC1	233131100	SRWFVMFNEPPTOY-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1scc(C)c1Cl	233332880	NOGJYSBGZFRAIY-WCBMZHEXSA-N	245.819	4.536	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1c1ccc2c(c1)CCCN2	233924995	XWYXMMCMUYGJLR-CZUORRHYSA-N	243.394	4.729	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)CC[C@H]1C(C)(C)CCC	251322027	LYHMOKZOPARMJG-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)SCc1cc2ccccc2s1	258134311	VGPIPVRWPLJAPW-UHFFFAOYSA-N	222.378	4.543	0	10	BJAE	
CCCC[C@@H](C)C(=O)[C@H]1CCCc2ccccc21	302420350	QWCFMIUUFZOAMR-CJNGLKHVSA-N	244.378	4.502	0	10	BJAE	
CCC[C@H](C)CNc1cc(C)c(F)cc1Cl	304356824	LSWZDUSMDJGCLH-VIFPVBQESA-N	243.753	4.636	0	10	BJAE	
CCCNC[C@H](C)CC[C@H](C)C1CCCCC1	310440811	WKQBELRYXGXXGQ-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC1(COc2ccc(C(C)(C)C)cc2)CCC1	310499476	IWPHXFHVEJZTIQ-UHFFFAOYSA-N	232.367	4.553	0	10	BJAE	
CCCC1CCC(N[C@H]2C=CCCCCC2)CC1	310629770	ICIKLMZXCXQDRC-CGZBRXJRSA-N	249.442	4.824	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H](CCC(C)C)C1CC1	310668199	MMNCKBYGYDJLLH-INIZCTEOSA-N	249.373	4.761	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)C1(C)CCCC1	310942728	LQJVVWPDZLOFKH-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CC3CCC2CC3)C1	311054886	JCFPNLSPMMFOTF-WNZFAQLISA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H](C)CN[C@H](c1ccccc1)C(C)(C)C	311210073	KWVHSGUTSJSQRF-GDBMZVCRSA-N	247.426	4.656	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@@H]2CCCC23CCCC3)C1	328312098	XCWYSEUALFHXGJ-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@](O)(CCC2CCCCC2)CC[C@H]1C	383117958	BZFQGMJIXCTJIV-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
N[C@@H](CCCCC1=CCCCC1)c1ccccc1	384878596	SZXQTWZKVVLLHD-KRWDZBQOSA-N	243.394	4.747	0	10	BJAE	
CC[C@@H](C(=O)CC1(CC)CCC1)c1ccccc1	386441939	BURHTSIXOPZHTG-OAHLLOKOSA-N	244.378	4.720	0	10	BJAE	
CN[C@H](c1ccc(C)cc1C)C(C)(C)C(C)(C)C	386811823	OAKIDLUZVHHBOY-OAHLLOKOSA-N	247.426	4.636	0	10	BJAE	
CC[C@H](N[C@H](C)c1ccccc1C)C1CCCC1	387596541	UWSWCKQPTYLIHY-PBHICJAKSA-N	245.410	4.614	0	10	BJAE	
CCCC[C@@H](CC)NCC(C)(C)CC(C)C	391154378	YHWSAOFUJDDRTR-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1C=CCCCCC1	391163481	CLOMYWOOSMRXII-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC(C)(C)C(C)(C)C)C1	394571090	OXQHPBHNRIJSMH-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC[C@@H](C)CC1	394859447	KOCYLRNNNATOJZ-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)CCC1CCCCC1	395616376	GQGCXLAFYUYADK-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCc1cccc2c(S)c(C(F)F)sc12	396233763	CKKTWWPJELLKAY-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@@H](C)CCC2CC2)c1	398028041	IFRHHJMVGLDEAC-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
C[C@@H](C[C@@H]1C[C@@H](C)c2ccccc2N1)C1CCC1	398680031	XKZKANRYOVNBIB-GZBFAFLISA-N	243.394	4.801	0	10	BJAE	
CCC1([C@H](O)c2ccc(C(C)(C)C)cc2)CCC1	687582496	CESCZRMTGWIMML-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CCC1CCC(N[C@H](C)CC2CCCC2)CC1	689804407	DEGATZQAMOAPDX-VQCLRJIVSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1ccsc1	691076558	NORSTOCFBCJGFM-WCQYABFASA-N	223.385	4.519	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2CC3CCC2CC3)c1	691661926	WJNUXIZHDBQEPA-GPANFISMSA-N	244.378	4.509	0	10	BJAE	
CC1(C)CCC[C@H](NCC2CC3(CCC3)C2)CC1	691927131	CVPQMSTXXOZDAY-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC1CCC2(CC1)CC2	695761661	SAMBAOIYTKRILU-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@H](C)C(=O)c1ccccc1	696735935	DMWSYSZWPGOZSY-ZDUSSCGKSA-N	232.367	4.722	0	10	BJAE	
Cc1c(Cl)cccc1NC1C[C@H]2CC[C@H](C1)C2	697699979	UVUKAQDPPLUESA-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CC(C)=CCCCc1ccc(Cl)c(F)c1	698103141	GJIBTFRJYNJEHV-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
CCCN[C@H]([C@H]1CCCC[C@@H]1C)C(C)(C)CC	701151010	LTXOUJGWSMKCNK-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(F)c(NCCCCC(C)C)cc1F	703953763	DUUGSFFREGRHFA-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@](C)(N)CCC(C)(C)C)C1	704857725	YHXSSEXWXGKHHN-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCCC[C@H]1Oc1ccccc1C(C)(C)C	704924763	BKSYIGPCVUCYFH-DZGCQCFKSA-N	246.394	4.942	0	10	BJAE	
CC(C)c1ccccc1[C@@]1(N)CCCCC[C@H]1C	704937155	CFACWVKRONBEDF-RHSMWYFYSA-N	245.410	4.564	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C1CCC1)C1CC1	705328282	ZQAHGVZEWOIZRW-QGZVFWFLSA-N	243.394	4.548	0	10	BJAE	
C[C@H](CN[C@@H]1CCC[C@@H](C)CC1)CC(C)(C)C	709120706	BTJVJZBHMZBKNP-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)[C@@H](C)CC(C)C)c1	709261809	RUXZITNUHDYTRK-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
CCC1([C@H](C[C@H](C)C(C)(C)C)NC)CCCC1	711148753	HIKJNUWZZQXESZ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC(C)(C)CC)NCC	713134186	PFPHJHGFACNAGL-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C=C/C=C\CC[C@]1(CNCCC)CCC[C@H](C)C1	713714523	AKGAMMYCTHDKJK-YHLLGKTKSA-N	249.442	4.705	0	10	BJAE	
CC(C)=C(C)CCOc1cc(C)ccc1Cl	718594149	LRXKJIFFMREYCK-UHFFFAOYSA-N	238.758	4.774	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@]1(O)CCCCCC1(C)C	719290544	HZHWVNKTYNXOQQ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H](C)C(C)(C)C	720941678	VTHILVOYCUWTEX-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	723633270	FFAKWTRBHIQVDB-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CSCC(C)(C)C	1307343083	BOBHKSNWVWFNSS-VXGBXAGGSA-N	214.418	4.592	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]2C2CC2)cc(C2CCC2)c1	1621360580	HVIKHJYNJWTITM-DLBZAZTESA-N	241.378	4.555	0	10	BJAE	
CCCCCCc1ccc(C)cc1Cl	1889469969	GHHDVQIOTAMPDN-UHFFFAOYSA-N	210.748	4.771	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H](C)CC(C)(C)C	1900698927	XBDQSZMQGXYSRM-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
CC(=CC[C@@H](N)CC(C)C)CCCC(C)C	1900867366	VSHKUPSZLSDDDM-OAHLLOKOSA-N	225.420	4.523	0	10	BJAE	
CC=CCCC1C[C@@H]2CCC[C@H](C1)C2(F)F	1900898251	MVAKVSLTSDEWHN-YHWZYXNKSA-N	228.326	4.804	0	10	BJAE	
CCc1ncsc1-c1ccc2sccc2c1	1901570571	LXCBAJBRPTZGAB-UHFFFAOYSA-N	245.372	4.587	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1cc(Cl)ccc1F	1901621883	AGIOOESPYHISRR-VHSXEESVSA-N	243.753	4.572	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)[C@@H](C)C(C)C	1901709824	POKYWVQEDVSBHY-KKUMJFAQSA-N	227.436	4.616	0	10	BJAE	
CC[C@H](C)CC(=O)CC[C@@H]1CCC(C)(C)C1	1903417600	MELBFADCNUXWQS-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CCC1(CO)CCCCC1	1905366536	OIQDKCRQSIGOSS-CQSZACIVSA-N	226.404	4.536	0	10	BJAE	
CCCN[C@@H](C)C(C)=CC1CCC(C)(C)CC1	1911535071	OMHIIULRIORLJE-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@]1(C2CCCCCC2)C=CCCC1	1916570008	WDFVRZDDCYOLJH-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCCCC[C@](C)(N)CC1CCC(C)CC1	1920183372	UBNUTOCGHCQJGH-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1CCC[C@@H](C)C1	1920183838	YBFSTSMMPLXVFH-PMPSAXMXSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)c1ccc(NCC[C@@H]2CC2(C)C)cc1	1921564899	TYHCTGLTMASVIC-CQSZACIVSA-N	245.410	4.832	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H](C)C2CCCC2)c1	1924111544	ZRVRLSUNEJZLEG-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCCC(N)(CCC)CC1(C)CCCCC1	1935622788	KLHFONVHHUMGCR-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1csc(CC)c1	1936758244	FIIRRSWTAHDAHC-BXUZGUMPSA-N	239.428	4.527	0	10	BJAE	
CCCCCC(=O)c1cccc2sccc12	1938278168	LJSRLABVPUDOEF-UHFFFAOYSA-N	232.348	4.664	0	10	BJAE	
CN[C@H](CC1CCCC1)CC1(C)CCCCC1	1940407709	QXEQMULMPOUYGX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NCCCC2(C)CC2)CC1	1940882614	QZNIGLNVSKZOFR-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(NCc2cscc2C)cc1C	1941467767	IQNLDKMDHOKVQK-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CCCCCC1CC1	1941584588	AXVPDDPHPVXDGQ-HNNXBMFYSA-N	238.415	4.988	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)C[C@H](C)C1CC1	1944525791	RFZFBKBPZFJINE-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@H]1C=CCCCC1	1949119718	HVIFZYXBSQWJBK-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CC(C)[C@H](N[C@H]1C=CCCCC1)c1cccs1	1950617856	CXVKSVLSPHSQJG-ZFWWWQNUSA-N	249.423	4.534	0	10	BJAE	
CCCC1(CNC2CC3(CCCCC3)C2)CCC1	1971569333	ZHYOWQMBIYHOPS-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@@H](C)CC(C)(C)C	1976008249	KWHVDPVZKQINKQ-OLZOCXBDSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cc(C(F)F)cs1	1977081775	URBJCTFWCJQDJC-JTQLQIEISA-N	247.354	4.512	0	10	BJAE	
CCCCCCC(=O)[C@H]1CC(C)=C[C@@H](C)C1	1978420115	DHMMGEXVBZKLEC-TZMCWYRMSA-N	222.372	4.518	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC(C)(C)C(C)C	1986936009	BNWPSZOXTDENAJ-HNNXBMFYSA-N	227.436	4.602	0	10	BJAE	
CCC(CC)CC(=O)C1(C(C)(C)C)CCC1	1989452837	FBEDHFSGSUCBRL-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)C(C)(C)CC	1989818802	LUKQATUQGRMUFF-UONOGXRCSA-N	227.436	4.760	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](CC)CCC	1990763635	YIIBUQAPYJYPPT-LSDHHAIUSA-N	227.436	4.713	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@@H](C)CC(C)C	1990819196	ZYZHYGYVLSGJPI-AWEZNQCLSA-N	227.436	4.569	0	10	BJAE	
CCC(C)(C)CCN(C)C[C@H](C)CC(C)(C)C	1995660929	NVFZMEUORQBJBH-CQSZACIVSA-N	241.463	4.817	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@@]2(C)CC=CCC2)C1	1997607402	UOGBYJKPBKOLPI-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)C1CC(CC2(N)CCCCCC2)C1	1998234867	ODFFBIMWYZINPB-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)[C@@H]1CCCC(C)(C)C1	2000096435	IUUFJJRYBDHHEZ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](CC)(CN)CCC[C@H]1CC1(C)C	2000493282	CIJASIZAFCJDDO-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@](C)(CCC(C)=C(C)C)CNC(C)C	2000522213	CFDUHMPVWFIMTB-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1CC12CCCCC2	2001259376	NDXMKLBJIJLHON-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)CCC2CCC2)C1	2003022503	URAUCXOLMGMTKD-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@H]2CCCCCC[C@H]2O)CCCCC1	2003095803	RKJUWQJZRLRSKW-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CN[C@@H]1CCCCCC[C@H]1C[C@H](C)CC(C)C	2003097064	COOJFGLJSIZSLN-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@@H]1CCC(C)(C)C	2003101612	UZBOZPBSPGWCMF-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@]1(C)C=CCCC1	2003321105	MGSZKBYWCZPJRI-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@@H](CC)[C@H]1C	2004713108	WNMPCVALTXHLOE-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCCC(C)=C1C	2006973484	WTOVGXHKIBHSJT-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(CF)cc2)C1	2007029478	XCXUWLNQNJGLLJ-DOMZBBRYSA-N	235.346	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C1(C)CCC(C)(C)CC1	2007681003	DKNHWOFTRMQWLE-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@](C)(O)CC1CC(C(C)C)C1	2007759759	MXGRCPDSKQCLBQ-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCC1CC(CC(=O)[C@@H]2CCCC[C@H]2CC)C1	2007770205	ZVYHODTXFUYSGX-NEXFUWMNSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H](C)C(C)(C)C	2007948243	TYKGERRABLSQCT-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCC(=O)c1cccc(C(F)F)c1	2009572171	KXORJKPKTWLEHP-NSCUHMNNSA-N	238.277	4.553	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC2(C)CC2)CC1	2009611652	ZNXPRXKUVKRLRH-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCCC1CC(N)(CCCCCC2CC2)C1	2009788937	YUOMJPBZFGCBDW-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCCC1CC(N[C@H](CC)C[C@@H](C)CC)C1	2009791638	ORFBEENMHJDWIG-JWMHWRSXSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CC)C1=CC[C@@H](C(C)(C)C)CC1	2010715592	UIGNBTDZYAJECN-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC[C@]12CCC[C@H]1C2	2011011431	OPHNPMBLHVAFCE-YCPHGPKFSA-N	236.399	4.598	0	10	BJAE	
Fc1ccccc1CCC1CC(=C2CCC2)C1	2011086274	AFFJCAWDGYTQFP-UHFFFAOYSA-N	230.326	4.649	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](CCC2CCCCC2)N1	2013526489	OIJDXIMREZSDNI-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1ccc(-c2cscc2[C@@H](C)N)cc1	2013606836	IOSNTAPXKBNCPY-LLVKDONJSA-N	245.391	4.558	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)CC(C(C)C)C(C)C	2015278967	SUMHKPPAWGBGCE-HOCLYGCPSA-N	242.447	4.738	0	10	BJAE	
CNC[C@](C)(CCC(C(C)C)C(C)C)C(C)C	2015345622	VCFAOIDERGBBQD-INIZCTEOSA-N	241.463	4.577	0	10	BJAE	
CC(C)C(CC[C@@H]1CC[C@@H](C)CC1=O)C(C)C	2015390595	NNLKQDPARZLPQK-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@]2(O)CCCC(C)(C)C2)CCC1	2015638940	APXSMOWSTDGTOM-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@]2(CC)CCCCCN2)CCC1	2015641461	FMNVKKLKMBVJAN-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)C[C@H]1CCC=CCCC1	2016114882	MEQAFEASFRKLLW-HRCADAONSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CC[C@@H]1C1CCC1	2017041778	DDTCJEPOUYULBV-XHSDSOJGSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC1(C(C)(C)C)CCC1	2017125735	RNJCZVIMMDKKPT-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)[C@H](C)CC(C)C)CC1	2017663364	SAUOKXQTZRALHP-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC[C@@H](N)C2)CC1	2017736451	YCFWEMXISTUYKS-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2C=CCCC2)CC1	2017777899	RABMPLOAGKIAAS-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
C[C@H](CC(=O)CC1(CCF)CC1)CC(C)(C)C	2018958490	WEOAADBKFZYCSS-GFCCVEGCSA-N	242.378	4.548	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2C[C@@H]2CCC)C1	2022566315	VDEWIOGTCUGCMT-PWUWZPNHSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCCCC(C)(F)F	2023351761	BKBZBTKWYMEEHV-GFCCVEGCSA-N	248.357	4.843	0	10	BJAE	
Cc1cn(C[C@H]2CCCC(C)(C)C2)c(C)c1C	2024093092	YLFHDIUGOWGTHW-HNNXBMFYSA-N	233.399	4.630	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)C[C@@H]1CC(C)(C)C	2024122665	GELFDAMTASYBMU-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@]1(O)C[C@H]1CCCC(C)(C)C1	2024128817	PUXBRHBUPCPFEB-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@@H](C(C)C)C2)c1	2025572029	MUNCQFYYXVNQFU-HUUCEWRRSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CCCC(F)F)NC	2026165799	FCLWPJVCWOBGHP-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2C[C@@H]3CCC[C@H]32)n1	2026526040	BTULJQSGUVUGGI-CDGCEXEKSA-N	249.423	4.635	0	10	BJAE	
Cc1cc(F)cc2c(C3CCCCC3)coc12	2026603191	MQAAQMLJAKJDMH-UHFFFAOYSA-N	232.298	4.928	0	10	BJAE	
CCCc1ccccc1C(=O)CC1(C)CCCC1	2027902917	FVQSHQNBFBKPFS-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)c1ccccc1C1CC1	2028558776	ZTUUNPMVEUNTIO-HNNXBMFYSA-N	246.394	4.670	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CCN[C@@H]2CCCC[C@H]12	2028634885	VQVSJYBNOGBSPG-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C1=CCCC(C[C@@H]2CCc3ccccc3N2)CC1	2028878010	JSYKXPNNLYXDII-INIZCTEOSA-N	241.378	4.550	0	10	BJAE	
C[C@H]1CCC[C@H]1C[C@H]1C[C@@H](C)c2ccccc2N1	2032514375	MKYAVKPPAAZYNM-LJISPDSOSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CC[C@H]2CC[C@H]1C2	2035042658	CTIKBJHTYTWKKR-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)[C@@]12CCCC[C@@H]1CCC2	2035561456	LRZMDNCOZNSNQF-BFYDXBDKSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)C1CC(C)(C)C1	2035576490	PZBIQCMSHRZJCF-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@@H](N)CC2CC(C)(C)C2)c1	2037972717	PKWVMCXUEABEPG-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H](NC[C@H]1CC12CCCCC2)C1CCCC1	2039090659	DIWDXBPICYHNOK-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1(CNC)CC2(CC3(CCC3)C2)C1	2039459304	AIDKENFTQCZJGC-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CC[C@H](C)C2)c(C)c1	2040137942	LEBZAGXBFQYAOH-XHDPSFHLSA-N	244.378	4.621	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC(C)(C)c1ccccc1	2040715903	DYDKTMVIFGEXKH-OAHLLOKOSA-N	247.426	4.508	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)C[C@@H]2C=CCCCC2)CC1	2041526266	BJGRKZJUYRJVQV-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CCN[C@H](C1CCC(CC)CC1)[C@@H]1C=CCCC1	2043188663	VKPKIQPMXOUTIW-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CNC[C@@H]1CCCC[C@H]1C[C@@H]1CCC=CCCC1	2045329012	KJFBNOXSUSXCLA-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H]([C@@H]1CC=CCC1)[C@H]1CCCC(C)(C)C1	2045391736	PCBAUXLKCNZGJP-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccc([C@H]2C[C@@H]2C)o1	2045559037	RDBWFQAIUUQBCO-RYUDHWBXSA-N	248.366	4.802	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCCCCC2)cc1C	2045609369	CAQDORZZAOIBDQ-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CCCC=CCNC1CCC2(CCCCC2)CC1	2045670137	DLKNIVHBDGZOEX-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
C1=C[C@@H](CN2CCCC23CCCCCC3)CCC1	2046564824	XXCWZXHWPDGDFB-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@H]1CC12CCCCC2	2047061077	CCGDHKGJPQUIDD-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@H]1CCC12CCC2	2047937470	YBNJYZZIYHUOKZ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(NC[C@H]2CCC3(CC3)C2)CCC1	2049677640	FGXUFFJKFJTAPR-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@@]1(C)C=CCC1	2049990803	CAKNFOJGTJVQSR-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC(C)=CC[C@](C)(O)c1ccc(C(C)(C)C)cc1	2051400001	DGNDHHFJOHFWKA-KRWDZBQOSA-N	246.394	4.548	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@H]1C=CCCC1(C)C	2055545248	UGQBXDPFPFVCAA-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(C)(C(=O)CC(C2CC2)C2CC2)CC1	2056539539	LVCKTSCODFFBBO-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(CC2CC3(CCC(N)CC3)C2)CC1	2056617578	UGIBUMUCXMDYHQ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C[C@]2(N)C[C@@H]3CCCC[C@@]3(C)C2)C1	2056640348	OMSSZIHLMGKCRH-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C=C1CCCC1)C(C)(C)C1CCCCC1	2056884896	XXHIZWMFFDAFQQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC=C([C@H](N)[C@@]2(C)CC[C@H](C)C2(C)C)CC1	2060923740	ZTGPGWSAHGCRKU-RPCCPQHDSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@@H](NCC)C1(CC(C)C)CCCC1	2061562049	ZDKZXWDUTMMCNS-MRXNPFEDSA-N	249.442	4.692	0	10	BJAE	
CC[C@](C)(CNC(C)C)CC1CC(=C2CCC2)C1	2061738942	IPTSEBAPMPXKCS-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC1CC(=C2CC2)C1)C(C)(C)C	2061742272	WSRFVVFOHHCGRJ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1c(C)c(C)cc(C)c1C	2061871108	QIDGXEKNBLBOHB-INIZCTEOSA-N	248.410	4.780	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CCC[C@@H]1C[C@@H]1C	2062605924	AQTANCQDRRSCIH-LJIGWXMPSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@H]1CCC[C@H]1C[C@@H](C)c2ccccc2N1	2062642927	STHKAFCKYHYAMB-YJNKXOJESA-N	243.394	4.801	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@H]1CCC2(CC2)C1)C1CCCCC1	2062811051	CIJOQQSGCCDRHI-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@]1(N)CC1CC2(C1)CC(C)(C)C2	2063203798	JBBUBQIJVLTAJN-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063481577	VMOOYEWADWZFQF-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC2C[C@H]3CCC[C@@H]3C2)C1	2063525140	RUYXOCHQIKGCQS-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C2CC3(C2)CC(C)(C)C3)CC1	2063800723	TWJNCBQSHLXBJQ-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC23CCC(CC2)CC3)C1	2065276465	DOVOOWXHODTYLB-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)Cc1ccc(C)cc1	2066052678	JKMAQMIIHVSIDB-KRWDZBQOSA-N	247.426	4.642	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H]1C[C@@H]2CC[C@@H]2C1	2068796428	RKZRHCYROOSCTP-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)C)c1cccc(C2CC2)c1	2068819692	OKRGNNRKHDAZJY-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1(CC2CC2)CCC1	2069522143	UFDHKXCTSVEAED-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(CC)C(=O)C1CC(c2ccccc2)C1	2071403367	XPBPMBQIKBAOFQ-UHFFFAOYSA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)C1(C(=O)CC[C@@H]2C[C@@H]2C2CC2)CCC1	2071925664	HELPFDVDQQUZDL-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@@H]2CCCC23CCC3)CCC1	2071941629	VUDKYPKEDIJWHW-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC)CCC1CC2(C1)CC21CC1	2072232923	VMAGKRSQIJBBKP-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@H]2CCNC3(CCCC3)C2)CC1	2074139995	XGYJBMXKJNPBQT-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN(C)[C@@H]2CCC23CCCCC3)CC1	2074591774	VHDIVJAGXNKZLS-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@@H](CC2=CCCCC2)NCC)CC1	2074646842	QJFDMIMRCXBJBY-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCCC1(C[C@H](NC)C23CCC(CC2)CC3)CC1	2074654173	WBEXDELNELBIOQ-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccccc2C2CCC2)C1	2077263753	CVFABFOBXMKNGH-DZGCQCFKSA-N	243.394	4.945	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1	2077264834	BRTURCHTARJCNH-FICVDOATSA-N	241.378	4.555	0	10	BJAE	
N[C@H](C[C@@H]1C[C@H]1C1CCC1)C1CCCCCCC1	2079292919	APCHAYZDDBVXCJ-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1C[C@H]1C1CC1	2079332916	MUQGXYZMEOYKIE-HOTGVXAUSA-N	244.378	4.543	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1C[C@@H]1C1CCC1	2079423021	FCEKHXZBFNYDBA-ZACQAIPSSA-N	249.442	4.514	0	10	BJAE	
CC1(CCC[C@H](N)[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079433887	CKINMTZAITWVAL-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC(=O)[C@@H]2C[C@H]2C2CCCCC2)C1	2079479685	YWNXFSDFIJPCOV-FPCDFSMTSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)NCC=C[C@H]1C[C@H]1C1CCCCCC1	2079664515	GDBOPYNTSBUWLX-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@@H](CCC2C[C@H]3CCC[C@H](C2)C3)CC1	2210344727	QAPRZSZXJHHYJH-ILXRZTDVSA-N	218.384	4.949	0	10	BJAE	
C(=Cc1ccccc1)CC=C1CCCCC1	2210661608	BISYEMWRQGDFBP-UHFFFAOYSA-N	212.336	4.980	0	10	BJAE	
C=C=CCC[C@H](NCCC)c1scc(C)c1C	2213657152	VLUFWWCIEJOJJG-AWEZNQCLSA-N	249.423	4.527	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](CC(C)C)C(F)F	2213852121	DAPWWTJCQIWZKT-QWHCGFSZSA-N	249.389	4.615	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](O)C1CCCCCCC1	2215235184	AUUMZLYQGLGQKJ-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H]1CCCCCCCC1=O	2215324471	LCLDWJDKLHZEIQ-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CCC[C@H](C(C)(C)C)C1	2216247253	KKMCTIXFHUKKFD-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)N(CC)CCCCCCCC1CC1	2216860911	RUKOKSCMZBDQTG-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCC[C@@H](CNC1CCC1)CC1CCCCC1	2217123860	BYTWDJIQKGNBRV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CNC1CCC1)C[C@@H](C)CC(C)C	2217126164	SUGIDYSDMXHHTM-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
N[C@H]1CCCCC[C@@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218357710	SEBADABXJFICRF-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@H]1CC12CCC2	2220044659	GQKXXISYEYAODG-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@H]2CCNC3(CCCC3)C2)C1	2221037374	DDBHCCBPMXBFKG-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CN2CCC23CCCCCC3)C1	2221089264	YQRDFFPQIDNMLU-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2CCCCC[C@@H]2C(C)C)CC1	2221661709	OCOSTRYZAPNGJV-GVDBMIGSSA-N	249.442	4.680	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCC[C@H](C(C)(C)C)C2)CCC1	2222267469	QCXWYZOQAINCLB-ARFHVFGLSA-N	249.442	4.680	0	10	BJAE	
C[C@](N)(C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCC1	2222935818	ZLWVMNSNXNIXLZ-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CNC2CCC2)(CC2CCCC2)C1	2223558575	NFMQXSDJQIWCGM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@H](N)C(C)C	2244870258	YDKIZWHJYBRVNQ-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
Cc1c(F)ccc(N[C@@H](C)CCC(C)C)c1F	2246365763	ZSBZIIWCTBAXMF-JTQLQIEISA-N	241.325	4.510	0	10	BJAE	
CCN[C@H](CC)[C@H](C)CC[C@H]1CCC[C@H](C)C1	2246656143	JKRZGMZAAFZPQM-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC[C@](CN)(CC[C@H]1CCC[C@@H](C)C1)C(C)C	2246659633	JUTVXGIATAQGFV-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCC[C@@H](O)C2)C1	2246663636	GDIBVGQPQKLSBA-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CC[C@@H]1CCC[C@@H](C)C1	2246664463	IIXMHZIQJCCMDF-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)C(=O)CC1CC2(CCCC2)C1	2246807351	JFOLPIMCJCELPB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@](O)(CCCC[C@H]1C[C@@H]1C)C1CCCC1	2247126647	DNAIPSPSFOBESK-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CC[C@@]12CC[C@@](CCC3=CCCCC3)(CO1)C2	2247500000	HDUQFWYELDRVPE-CVEARBPZSA-N	234.383	4.616	0	10	BJAE	
CC[C@@](C)(CNCC(C)C)CC1=CCCCC1	2247525024	LKPHFDMMBUCTRM-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCCC(=O)c1ccc(CCC)cc1	2248174476	MHLWFLSJDWXPGP-HWKANZROSA-N	230.351	4.568	0	10	BJAE	
CN[C@H](CCCCCC[C@@H]1C[C@@H]1C)CC(C)C	2248812554	AVADAWABSMMWCV-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CCCCC[C@H]1C[C@H]1C)CNC	2248854285	OEJMSJOTRLRKFN-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@]1(C)C=CCC1	2248856016	UUZKGKFIKISVIO-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
Cc1ccsc1CNc1cc(C)c(C)c(C)c1	2249489597	AMKSZBLWWYYBGB-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc(C2CC2)cc1	2250354447	DEWABOVEFUUJCR-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)C1CCC(CC)CC1	2250367265	PEXGRKQMZZHDEQ-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1C[C@@H](C)CC1=O	2250490207	GQMTVXOUOHYTKS-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](C)CCNC1(C)CC(C)C1	2250495779	LOACPFNUFVNJDI-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CC[C@H](C)CCCC(C)C)C1CC1	2250495968	NIPSWQSMYFWKIQ-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1NCCC1=CC[C@@H](C)CCCC(C)C	2250515864	CVUJSJORBIAJQX-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@]12CCC[C@H]1CC2	2251168284	UUYMWNOLDGLOLF-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CC(C)C[C@](C)(O)CC1CC(CC(C)(C)C)C1	2251490836	DQISFXNTTLTIBM-XUJLQICISA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)C[C@H]2CCCCC23CC3)C1	2253829949	ATOJJUURPJVTBG-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1(C)NCCC[C@@H]1CC[C@H]1CCCCC12CC2	2253891142	UYWNIJPCNUAEEC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(C[C@H]1CC[C@@H](C)CCC1=O)C2	2259545424	UTFYEMNUKHVOEM-KBMGIXFMSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCN[C@@H]1C1CC1	2259611540	BGAOHNGFUMDZJF-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@]12CCCC[C@@H]1CC2	2260500901	MUJNLXAVKJDROZ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](NC[C@]12CCC[C@@H]1CC2)C1CCCCC1	2260538799	LUSQMMGKGBENLI-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(=C[C@@]12CCCC[C@H]1CC2)c1ccc(N)cc1	2260658598	QAHCHRJOSQQILN-RDJZCZTQSA-N	241.378	4.643	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@@]12CCC[C@H]1CC2	2260673517	SEGVBSFVMIMILD-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](C)(CC[C@@H]1C[C@@H]1C)CNC(C)(C)C	2298128149	VTUDKSJPLJFBEA-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CNc1cc(C(C)C)ccc1C	2300455305	FOQPTIJOYPOFLL-UKRRQHHQSA-N	231.383	4.576	0	10	BJAE	
CCC(CC)CC[C@](C)(CC)CNCC(C)C	2300676266	MPCGQNYPDVPTEN-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CC(C)(C)CC[C@H]1C	2300684288	SEHIJOMXNADEQI-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)[C@@H](N)CC=C(C)CCCC(C)C	2300927635	XHAXFQIOFHNVDA-INIZCTEOSA-N	239.447	4.913	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)CC1CCCCCC1	2301239631	RMURIFYDDHPXRS-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCC(=O)CCC[C@H]1C[C@H]2CCC[C@H]1CC2	2301240726	CCUBGWNKIDIJBW-KKUMJFAQSA-N	236.399	4.742	0	10	BJAE	
CCC[C@](C)(CNCC)CC1CCCCCC1	2301244978	QWKUYWJFXXKPJQ-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cc(F)ccc1C(C)C	2301907675	LFNKCAFOFJOPTL-RYUDHWBXSA-N	237.362	4.796	0	10	BJAE	
CCCN[C@@H](C)CCCCCC1=CCCCC1	2302354383	QPOZHYRSJGFJOP-HNNXBMFYSA-N	237.431	4.825	0	10	BJAE	
CCCC[C@](C)(CNC)C[C@@H]1CCC(C)(C)C1	2302720094	KLAZZGCJWDAFBK-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC(O)(C[C@@H]2CCC(C)(C)C2)CC1	2302893292	TZYCYOQXLBNEIK-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1C[C@H]1CCC(C)=C(C)C1	2303599904	AQMXPEZTKLTUFL-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1cccc(C(C)C)c1	2303713799	YWJIPZRBYVDXFS-MRXNPFEDSA-N	232.367	4.590	0	10	BJAE	
CCC[C@@H](CC)C[C@@](CC)(CNCC)C(C)C	2307750890	ZXMXJOCGJOWAFP-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@@]1(C)C[C@@H]1C	2307910397	NRJGKYDKKNVITR-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CN1CCCC12CCCCC2	2307911313	UPQJUBAMHCWSJL-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)[C@H]1CCCC2(CC2)C1	2307927268	XSIMEHCRUYMOJC-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCCCCCC1CC1)[C@@]12CC[C@@H]1C2	2312333370	IXLBKRGPQWPISW-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](NC)[C@@]1(C)CC=C(C)CC1	2312521269	QMFZHJFYUNLPFT-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@](N)(C[C@@]23CCCC[C@@H]2CC3)C1	2313353348	MKCQHLSVZYAVBK-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CN(C)[C@H](C)CC2CCC2)CC1	2313597683	QKYYNBUENIFFRM-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
Cc1ccc(C(C)C)c2c3c([nH]c12)CC[C@@H](C)C3	2316176322	PVQVSUSHSABNTA-LLVKDONJSA-N	241.378	4.725	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)c1cc(C)c(C)o1	2316531496	FYXKGALVWYRNIP-HNNXBMFYSA-N	249.398	4.684	0	10	BJAE	
CC(=CC[C@]1(N)C[C@@H]2CCC[C@@H]21)CCCC(C)C	2316537479	QVQRRPFVVKZQKT-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)[C@H]1CC12CCCC2	2318567009	CHTLERGIQODXOS-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H]2C[C@H]3C[C@@H]2C3)cc1	2319363182	OWARJXATFBDPTK-WMHQRMGPSA-N	243.394	4.658	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1C(=O)CC12CCC(CC1)C2	2320152105	ZIHUPFWNSIKVRH-CWVKQELPSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCC(C)=C(C)C2)CC1	2320264851	CBKWDQDZSKBRNW-OFLPRAFFSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H]2CCCCC2(C)C)CC1	2320411756	FXQQDPWIPZPOOC-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](C)[C@@H]2CCC2(C)C)c1	2321089770	RQCVBZGWOHKBFE-NHYWBVRUSA-N	249.373	4.625	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)CC[C@@H]2C[C@@H]2C)c1	2327787353	UWQVCROQAXNXQG-JJRVBVJISA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@@H](C)c1ccccc1	2328267915	DJIFGQBISWGKBE-YQQAZPJKSA-N	247.426	4.595	0	10	BJAE	
COc1cccc(NC(CC(C)C)CC(C)C)c1	21513331	QNOFWPNNBPKFHH-UHFFFAOYSA-N	249.398	4.568	0	10	BJAE	
CCCCC[C@H](NC)c1csc2ccccc12	35499550	ACUIQFVBVKKILV-AWEZNQCLSA-N	247.407	4.742	0	10	BJAE	
Cc1ccc2[nH]c(C)c(-c3ccc(F)cc3)c2c1	37625202	HFXMDBRHZIAKMX-UHFFFAOYSA-N	239.293	4.591	0	10	BJAE	
CCCN[C@@H](CCC[C@H](C)CC)C(C)(C)C	70747439	YGCCIHSGVDYUAB-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
Fc1cccc(Nc2ccc3ccccc3c2)c1	82715848	HHGNUPAVHSSCKL-UHFFFAOYSA-N	237.277	4.723	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CC[C@H](C)C1	83784854	QBFYKLNNOIYFAX-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CN[C@H](C)C1CCCCCCCCCCC1	85659801	FYVWYYGDAHIEJJ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(F)cc2C)CC1	86893981	LANLZLMDNYMWCD-UKRRQHHQSA-N	249.373	4.905	0	10	BJAE	
CCCCCC[C@]1(O)CCCCc2ccccc21	87164482	LSAXVCPCPUYJOC-KRWDZBQOSA-N	246.394	4.571	0	10	BJAE	
CCCC1CCC(CN)(CC2CCCC2)CC1	87960774	YELDMCOSIACIKL-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1sc(C)cc1C	88047392	KNQFQLVKLOFGBV-CHWSQXEVSA-N	239.428	4.581	0	10	BJAE	
CC(C)c1cccc2cc(C(=O)C(C)(C)C)oc12	88071811	LVGSOGBCHQZBGR-UHFFFAOYSA-N	244.334	4.785	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1CCC[C@H](C)C1	89607658	UEZSYUWNLXRKMT-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@H](CCC(C)C)c1ccccc1C	93106813	ZLIFQCWMLFECPU-INIZCTEOSA-N	247.426	4.514	0	10	BJAE	
CC/C=C\[C@@H](C)Cc1ccc(Cl)c(C)c1	107618974	NULHQPNVMPGQAM-ISALQUGTSA-N	222.759	4.793	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)c1ccccc1	109724563	XDERHNAPCPYCSG-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CCCN[C@@H]1CCCCc2ccc(C(C)C)cc21	110269349	IAXGXXOFGICSRI-QGZVFWFLSA-N	245.410	4.577	0	10	BJAE	
CNc1nc2ccc(C(C)C)cc2cc1C(C)C	110313476	PTJGWBZQXJUMLL-UHFFFAOYSA-N	242.366	4.523	0	10	BJAE	
CCCCC[C@H](CCC(C)(C)C)NCCC	126786137	RDOBYBVHKKHHLJ-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
FC(F)n1c(-c2ccccc2)cc2ccccc21	128476985	QHQMQBMDZFCDSJ-UHFFFAOYSA-N	243.256	4.703	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)c1ccccc1	128645931	MPVIGFYWAPHDBF-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCc1ccsc1	130416132	WFJREHIWVJTNRV-UHFFFAOYSA-N	246.375	4.759	0	10	BJAE	
Cc1cc(C)c2nc(CC(C)C)cc(Cl)c2c1	131697819	HAOOBFVMSQVKRS-UHFFFAOYSA-N	247.769	4.704	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](C)CCNC(C)(C)C)C1	132695980	LPFTVWKQJZBZIP-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](NC)C1CCC(C)(C)CC1	148404095	RJPKOZSNESGTNK-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)COc1cccc2ccccc12	149502277	OPALBSGTTZALTB-UHFFFAOYSA-N	228.335	4.655	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)c1ccc(C)o1	161958543	FVZMKKUJJRDPHE-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCC(=O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	164036565	MIWUEPFCIPQLJM-JOHJCKIYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)CCC(=O)c1cc2ccccc2s1	165218907	CIOCPUSUFPCJBD-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCCC[C@@H]1C(C)C	214542309	SEDAEQZHDVUYQM-NUEKZKHPSA-N	239.447	4.616	0	10	BJAE	
CC(F)(F)C1(c2cccc(F)c2)CCCCC1	220796060	MPUXJMMZJMLMIA-UHFFFAOYSA-N	242.284	4.683	0	10	BJAE	
CCCC[C@H](CCC)Nc1ncccc1Cl	226087914	OYAMMRWYCRYCGX-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H]1CCCC1(C)C	226819309	TYABWVNLSTXTOK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](N)c1ccc(C(C)(C)C)cc1	229180401	UPEYQTMXDBNPAZ-INIZCTEOSA-N	247.426	4.810	0	10	BJAE	
CCC(CC)CC(=O)c1cc(Cl)ccc1C	229446404	ARAZTRYTIZJYQK-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC[C@@H](C(=O)CCCC(C)C)c1ccccc1	229450035	HFSUCULZSZFZGS-OAHLLOKOSA-N	232.367	4.576	0	10	BJAE	
CCCN[C@@H](c1cc(C)cc(C)c1)[C@@H](C)CCC	229498531	XXBOGCRIYXRILT-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CCCCC[C@H](N[C@@H]1C[C@@H]1CC)c1ccccc1	232972284	DBBISHDEJXWULZ-BHYGNILZSA-N	245.410	4.696	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2(C)CCCCC2)C1	234082668	PQUAWXYGOYWNRW-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](c1c[nH]c2ccc(F)cc12)C1CCCCC1	235398912	POSFYANGWXYCNG-LLVKDONJSA-N	245.341	4.991	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	253289875	PHHSDSDZSIGXJF-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@H]1c2cccc(Cl)c2CC[C@H]1C#N	260494865	HABDRQWSHMVQND-IINYFYTJSA-N	247.769	4.556	0	10	BJAE	
CCCN[C@H](CC)CCCCC1CCCC1	300771744	PUZFPXFLMKFFHU-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)C)c1cc(C)cc(C)c1	302317302	JENQHJHAHZEVJU-CXAGYDPISA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)c1ccccc1O[C@H]1C[C@H]2CC[C@H]1C2	302431780	SFQLRGLVCPFNIM-XEZPLFJOSA-N	244.378	4.552	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)c1ccc(C(C)(C)C)cc1	302603740	WTNGERYTCPSSEG-XJKSGUPXSA-N	247.426	4.666	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)cc1Cl)C1CC1	304367445	UDGGVTFSPBWUNX-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NCC)C1=CCCC1	308071899	JAERPJSQIMOMLJ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
Clc1ccccc1N[C@@H]1C=CCCCCC1	309137304	OKTNXWXIMNFSCT-GFCCVEGCSA-N	235.758	4.641	0	10	BJAE	
C[C@H]1C[C@H](NCCCC(C)(C)C)CC(C)(C)C1	313252991	MKGUFGNJHMZAAO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C1(CNC(C)C)CCC(C)CC1	317655816	SRTJQQQPTNYJMR-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](Nc1cccc(C)c1C)C1CCC1	322536045	NLQUHQANODNZDK-INIZCTEOSA-N	231.383	4.684	0	10	BJAE	
c1ccc(-c2csc(CC3CCCC3)n2)cc1	379116637	YFLOINNCTCVKNI-UHFFFAOYSA-N	243.375	4.543	0	10	BJAE	
C/C(=C/CCNC(C)C)CCCCCC(C)C	383348510	DAVTWMWUJPMHAR-VBKFSLOCSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1CCCCCC(C)C	383409555	WKGOXVAKKBBJEO-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C)/C(C)=C/[C@@H](C)C1CCCCC1	383565924	BBORONQMOBGMLV-MSIAHBHRSA-N	237.431	4.537	0	10	BJAE	
CCCC1(CN[C@H](C)c2cc(C)oc2C)CCC1	391805445	JCXJDRQGWQPKCF-CYBMUJFWSA-N	249.398	4.517	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H](C)C1)c1ccoc1	394129632	KTHCVPKGWCBIOZ-IIAWOOMASA-N	249.398	4.537	0	10	BJAE	
c1cc(NCCC2CCCCCC2)cs1	394568966	KKNRFHMJWHBOJU-UHFFFAOYSA-N	223.385	4.521	0	10	BJAE	
CSc1cc(C(F)F)c2cc(F)sc2c1	396245859	ONQBRWFYCGVKHJ-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCCN[C@H](CC)CCC[C@H]1C[C@H]2C=C[C@H]1CC2	402163575	QTMBMRJLCDKZSC-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CC[C@H](N)C1CCCCCC1)C1CC1	405896803	UOXFNKAGQQPQHJ-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCOc1ccc2[nH]cc(C3CCCCC3)c2c1	527394249	DURRYQUMFRXYFN-UHFFFAOYSA-N	243.350	4.614	0	10	BJAE	
Cc1cc(C)c2c(C3CCCCC3)c[nH]c2c1	527398714	CLWVDGMGTKIMAN-UHFFFAOYSA-N	227.351	4.832	0	10	BJAE	
CCCC1(CNc2ccc(C)c(CC)c2)CCC1	687527677	FVQBTOOCICBFRQ-UHFFFAOYSA-N	245.410	4.940	0	10	BJAE	
CCC[C@H](Nc1cccc(SCC)c1)C1CC1	689701484	GTINSAYONYINCP-HNNXBMFYSA-N	249.423	4.789	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H]1CCC[C@@H]1C	690188591	WGCVYTVIGZCSNL-XJKSGUPXSA-N	245.410	4.720	0	10	BJAE	
CCCNCC1(C[C@@H]2CCC[C@@H](C)C2)CC=CC1	690534465	RDUTZBCRGWTZMD-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc(N[C@H](C)C2(C)CC2)cc1Cl	691249105	FXHXPIQJIRVNLL-SNVBAGLBSA-N	237.774	4.503	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1CC2(CCC2)C1	691922742	WCLFFYXPZYDOOH-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CNC1CCC2(CCCC2)CC1)C1CCC1	692901107	WZTWDJRUDCRYHI-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCC[C@@H]1CC2CCC1CC2	698019385	ZLLAOHXVRJQFFG-YMAMQOFZSA-N	206.373	4.949	0	10	BJAE	
CCCc1cccc(C(=O)[C@H]2C[C@@H]2C(C)(C)C)c1	699766674	GKOHPSHPLDCUIE-GJZGRUSLSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@H]([C@H]1CCCC[C@H]1C)C(C)(C)CC	701150984	LTXOUJGWSMKCNK-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](O)CC/C=C\c1ccccc1	703981022	XSAIAFTZOSMOCK-NYDKFZDJSA-N	246.394	4.667	0	10	BJAE	
CC(C)=CCCc1cccc2ccsc12	704756277	YYAOBMIOKQDEMC-UHFFFAOYSA-N	216.349	4.800	0	10	BJAE	
C[C@H](C[C@H](O)[C@@H]1CCCC[C@@H]1C)CC(C)(C)C	704854123	LSHNLMPYZHGUTH-BARDWOONSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@H]2CCC[C@H]21	707842170	WMBFXXBWRASLMG-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CCC[C@@](O)(C[C@H](C)CC(C)(C)C)[C@@H]1C	709255598	ARMLWGQEJAFGKQ-HLPPOEQASA-N	240.431	4.636	0	10	BJAE	
CCc1ccc([C@@H](N)C[C@@H](CC)C(C)(C)C)cc1	711048028	BPVIFIOQSJSWSE-CVEARBPZSA-N	247.426	4.711	0	10	BJAE	
CCC(CC)C[C@H](CNC)C1CCCCCC1	711310000	CDPRDFHHNHGYRD-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)C1CCCCCC1	713044614	RAMSHOZPOGCXCF-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CC(C)(C)C(C)C	713141184	NOOPZUVDRWDXLU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CC[C@]1(CNCCC)CCC[C@@H](C)C1	713714518	AKGAMMYCTHDKJK-NGHLMZTLSA-N	249.442	4.705	0	10	BJAE	
C=C/C=C\CC[C@H](NC)c1ccc(C(C)C)cc1	713733871	IPGJNKFAGPZDOK-TUYSUELWSA-N	243.394	4.593	0	10	BJAE	
C=C/C=C\CCCCCc1ccccc1	713745573	KRRZUDRAXQBGKC-ARJAWSKDSA-N	200.325	4.532	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)c1cc(C)co1	716149113	SQCHPHMOADSXHL-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C1CC2(CCC2)C1	717559008	DELFYXOWROHGER-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCOc1ccc(CCC(C)=C(C)C)cc1	718648466	QWFJAPHSTCHFHX-UHFFFAOYSA-N	232.367	4.764	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CCC(C)=C(C)C)C1	719176018	CCTKLFJDVBYWAV-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCN[C@@H](c1ccsc1C)C(C)(CC)CC	721736544	MBUTYIKBWATBTD-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
Clc1cccc2c1CC[C@@H]2SC1CCC1	1651996498	BSLCSLQKBPNHHS-ZDUSSCGKSA-N	238.783	4.613	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N(Cc1ccccc1)C(C)C	1889169498	IATJCXBRKHRIRL-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CCC(CC)c1cc(F)c(Cl)c(F)c1	1889493456	CRJFTOHLGRSYLO-UHFFFAOYSA-N	218.674	4.522	0	10	BJAE	
CC(=C(F)F)c1ccc(Cl)c(C)c1Cl	1893729042	DREGBPAZIKCYJV-UHFFFAOYSA-N	237.076	4.929	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1scc(C)c1C	1905441845	AYXBENMGAGJNIX-CHWSQXEVSA-N	239.428	4.581	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@@H]1C[C@H]1CC	1906231812	HZFDCFKXDGIVDZ-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC1(O)CCCCCCCC1	1908571320	ISSQTDNZEVRIQL-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@@H]1CCC2(CCCCC2)C1	1915855265	PATNYPUZHZAQQM-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCC2(CCCCC2)C1	1915865856	QLSWLMBEZIDATK-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCC2(CCCC2)C1	1916436267	HUERDPLKWGPLAO-CYBMUJFWSA-N	247.357	4.659	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(CNC2CC2)C=CCCC1	1916569877	VERJOOCGVDNJRC-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@](C)(O)CC(C)(C)C(C)C)c(C)c1	1919876244	IPZMOKNMJUKBIV-QGZVFWFLSA-N	248.410	4.583	0	10	BJAE	
CCCC1CC([C@H](C[C@H]2CC=CCC2)NCC)C1	1921320605	OHHWTZSUGVTCBB-OTBWCIGPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@@]12CCCC[C@H]1CCC2	1921445147	GKHAQFGXVKSFIW-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@@H]1CCC1(N)C[C@@H]2CCCCC[C@H]2C1	1921540215	CBJCCVRLQWDYFI-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@](C)(CC(C)(C)C)C1CCCCC1	1924086226	LARDHPAJYYGGLM-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CC(C(=O)C[C@@H]2C=CCCCC2)C[C@H](C)C1	1925735188	DMZBPZUMUTXRHW-RBSFLKMASA-N	248.410	4.764	0	10	BJAE	
O=C(CCC1CCCC1)C[C@H]1C=CCCCC1	1925765332	NTQBSCGXVPLKPX-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC[C@@H]2C=CCCCC2)C1	1925819072	HHAQLQSNRPCZFP-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C[C@H]1C=CCCCC1	1925947522	BIYQGRJNELKWPE-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
C1=C[C@H](C[C@@H]2CCC3(CCCC3)C2)CC1	1934208563	DIPCBIJRXLAAIS-KBPBESRZSA-N	204.357	4.703	0	10	BJAE	
CCc1ccc(C(=O)[C@H](C)CCC(C)C)s1	1937167855	KWEHBAQPFUABFD-LLVKDONJSA-N	238.396	4.566	0	10	BJAE	
CC(C)CCNC1CCCCCCCCC1	1938721803	GXTOGLVADBXKSM-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)CCC(C)C	1940867440	MYFYEKDSVMAXQL-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CCC[C@@H]1CC1(C)C	1940884726	ZMEGGBUDABBAGV-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)CCCC1CCC1	1941470848	WLVXYKCSKYOVKI-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)CCCC1CC1	1941587325	RFGMJGVSXXKANS-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)C[C@@H](C)CC(C)(C)C	1942653713	SXCDFMOUEQHCBP-ILXRZTDVSA-N	241.463	4.848	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@@H](C)CCC(C)C	1942662979	YPOZRPSCZRGHHW-ARFHVFGLSA-N	242.447	4.882	0	10	BJAE	
CCCC[C@@H](N)c1ccc(C2CCCC2)cc1	1944137870	BRNQKYFXPSDMGE-MRXNPFEDSA-N	231.383	4.534	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)c1ccsc1C	1944454292	VRAOBHBHDZYYJX-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CCCC[C@@]1(CNCC(C)C)CCCC1(C)C	1944474569	BHGSEFJQYFUZNS-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@@H](C)C1CC1	1944524572	LAURFNSPWHRIIV-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)[C@@H]1CCC1(C)C	1945753072	DICHSLIBOPJQKT-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](C2(O)CCCCCCC2)C[C@H]1C	1947547169	PEBKOHHKQBVJNW-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@]1(O)C[C@H]2CCCC[C@]2(C)C1	1948596390	PCFRHPCOMRWPJP-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@@H](CC)CC(F)F	1949019040	OMZWMOFEQIXEMU-OBJOEFQTSA-N	249.389	4.602	0	10	BJAE	
CC(C)CC(N)(CCCC1(C)CC1)CC(C)C	1949055450	RKECXSGMFIMBLU-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CCCC12CCCCC2	1949085490	GPKVNODEHKPCPL-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC1(C[C@H]2CCC(C)(C)[C@H](N)C2)CCCCC1	1949658413	AZTVNTGZTQKBSK-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1CCCC[C@@H]1C)C(C)(C)C	1949829846	DHSKRPZXECVBQW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)CC12CCC(CC1)C2	1950897820	ZFBUFBIRCAZBNE-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1CCCC(C)(C)CC1	1950916322	APBDEEKZDORYCP-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1cc(Cl)cs1	1958190407	DPHLGVIXDXNBEF-UHFFFAOYSA-N	244.787	4.657	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CC[C@H]2CC(C)C)c1	1968230690	ULDIQVSRSHEZKT-GJZGRUSLSA-N	231.383	4.540	0	10	BJAE	
CCC1CCC(CNc2ccc(C)c(C)c2)CC1	1968254527	JAEZUBFYPGRQNE-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CCCC2(CCC2)C1	1968330472	ZGUZGZXRAOMPLV-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCCC[C@H]1C(C)C	1973163761	JIJNXDAVVHMDGK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](CC(C)(C)CC)NCC	1976011683	YGLBGPYBVCCCKN-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](O)C1(C)CCCCCCC1	1981416276	NHVCBXBTQMZEDA-AWEZNQCLSA-N	226.404	4.678	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCC(C)(C)CCC1=O	1984463295	YJJFPKBJFMMQRN-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC=CCCCCC[C@@H](NCC)C(C)(C)C	1984632133	JJDMDJMVPSNXDB-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](C)Cc1coc2c(Cl)cc(F)cc12	1995462951	DCVSBXOKEPRXOX-QMMMGPOBSA-N	240.705	4.814	0	10	BJAE	
CCC1CCC(NC2(CC)CCCCC2)CC1	1995692175	ZQLYTHCIYQBHDH-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
C[C@H](N[C@H](C)CC(C)(C)C)C1(C)CCCCC1	1995985661	LDMYIOUZPNMQAS-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@H]1CC[C@@H](C)C1	1996223462	SFNFUWUZWVZWLP-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@@H]1CC[C@H](C)C1	1996250466	PJIPKSMAAUTINS-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)[C@H](CCC(F)(F)CC)NCC	1996603626	VSOXRNSNFVIBHT-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CCCC(C)C)CC1	1997117575	RYCLPDNELCDBAU-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](O)C2CCCCCC2)C1	2000028119	PNDDBWPKWOSFAX-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(N(C)CC(C)(C)C(C)C)CC1	2000906245	HRZKUAPMBWLKPV-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H]1CC12CCCC2	2001216330	POCBQHJGAGUGRL-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002219193	MKPFKHLPDRGYLD-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@]1(C)CCCCC1(F)F	2002589755	OQHUMCNGBLJWEX-YPMHNXCESA-N	246.341	4.597	0	10	BJAE	
Cc1cc(C)c2c(Cl)c3c(nc2c1)[C@H](C)CC3	2002854705	ZNWFGGRTDWRWBU-SECBINFHSA-N	245.753	4.555	0	10	BJAE	
CC(C)CCCN[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003009044	WOJYFUKWNGOTNF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CCCC2(C)CC2)C1	2003023274	WYRNARPMSHERRY-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H]1CCCCCC[C@H]1C[C@@H](C)CC(C)C	2003097063	COOJFGLJSIZSLN-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](CC2(N)CCCCCCCC2)C1	2003098635	HFKXBAWOQRZODP-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC(C)(CC(F)F)C[C@@H]1CCCCCCC1=O	2003116246	HSEXZZIEXOZPRZ-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCCCCC[C@H]1N	2003118637	SHKUTOIYPVEHES-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
O=C1CCCCCC[C@H]1CCC1CCCCC1	2003118840	SZPPJGFASUZORZ-HNNXBMFYSA-N	236.399	4.886	0	10	BJAE	
CC1CCC([C@H]2CCCCCCC[C@@H]2O)CC1	2003120031	XNWSUMHQDZABST-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC[C@H](O)c1cccc(C)c1	2003628197	UOKILBFJUSXJTF-HNNXBMFYSA-N	234.383	4.635	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCC[C@@H]2CC[C@H]21	2004798138	WRITZBRRADACOC-MRVWCRGKSA-N	249.785	4.639	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)[C@@H]1CCCCC12CCC2	2005600939	PBMRNZTZRVABOG-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)=C(C)[C@@H]1O	2006913758	QTAPMANBCIEYPB-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CCCNCC(CC)(CC)CC1CC(CC)C1	2007750348	UPJJEFVSTHTXDD-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](N)C=C1CCCCC1	2007940100	NTWXHQDZWDBDCA-CVEARBPZSA-N	237.431	4.523	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)c1csc(C)c1	2007944094	FQHKQHXHXCSSBQ-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CC1CCC(C[C@H]2CC[C@H](C)CCC2=O)CC1	2009411357	PJPRDVPKCWNORJ-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H](CCCC(C)C)NCCC	2009617379	RWBHJYDCPYZYCM-BIENSFFJSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@@H](CC1=CC[C@@H](C)CC1)NCCC	2010627365	UYLQPMLCJNSLGW-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(Cl)c(OCC2CC(=C3CC3)C2)c1	2011066897	OBTXXNMRONFUCC-UHFFFAOYSA-N	248.753	4.528	0	10	BJAE	
CCCc1cccc(CC2CC(=C3CC3)C2)c1	2011091244	WDAHCEZSILDCAZ-UHFFFAOYSA-N	226.363	4.682	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](O)C1(C)CCC(C)(C)CC1	2015280333	FAOUCWOZRMFGQE-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)C(C(C)C)C(C)C	2018076557	FXXMFLSXGYUPIZ-CABCVRRESA-N	241.463	4.862	0	10	BJAE	
CCCCC[C@@H](CC)NCC1CC2(CCC2)C1	2018139032	NROPRYUPBYYPOJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@H]1CC[C@H](CCC)CC1	2020974695	SSRQEXCYEQZGHE-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
CCCCc1ccc(-c2cccc(Cl)n2)cc1	2021480170	PPGLBUUHUXPRBG-UHFFFAOYSA-N	245.753	4.745	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)CCC1CCCCC1	2022489879	NXLOPAYJPRCHIQ-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@@H]1C[C@@H]1C(C)(C)C	2022621336	UVMYWXMGTRZDIF-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)C[C@H]1C[C@@H](C)CC	2024121912	GATRPHVRRRARRU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](NC2CCCCCCC2)C1	2025572964	IUMMIDXBZPCVSX-GDBMZVCRSA-N	237.431	4.514	0	10	BJAE	
CN[C@@H](CCC[C@H]1CC1(C)C)CC1=CCCCC1	2027855089	LVGPMAHZGXRMCF-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C(=O)CCCC1(C)CC1)c1ccccc1	2027855939	TWGRKCAHEYUZFK-OAHLLOKOSA-N	244.378	4.720	0	10	BJAE	
CCNC[C@]1(C2CCCCCC2)CC=CC[C@H]1C	2027926156	LHWIHIOURKGGEG-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1ccc(C2CC2)cc1	2028591586	UPNZKUPSFWKROU-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@@H]1CCCC12CC2	2028636107	FWTBOQRRKCJSBI-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C(CCC1CC1)CCN1CCC2(CCCCC2)C1	2028638408	ZMMJVRIPYZMKKQ-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
N[C@@H](CCC1CCCCC1)CC1CCC=CCC1	2028873243	WCSVHNNLGZPFSR-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1ccccc1CC(C)C	2028916222	WYGLWZSOQUYQSW-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)CC1(C)CCC1	2028929511	FFMBMWYXYNLVPM-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](C=C(C)C)C12CCC(CC1)C2(C)C	2033444377	QCJGYNXZYPVRSJ-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)c1ccccc1C(C)C	2035431164	PBIGXHOVHNCBBZ-WMLDXEAASA-N	245.410	4.564	0	10	BJAE	
CC(C)CNCC1(C[C@@H]2C=CCC2)CCCCC1	2035590101	RZERQOXVKANJAQ-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@H](C[C@H]2C=CCCC2)C1	2035596505	CHZZOIBOXYTXAI-TWMKSMIVSA-N	249.442	4.524	0	10	BJAE	
CCC(CC)C[C@H](N)c1c(C)oc2ccccc12	2037097512	KHAPNPZKXKNZQU-AWEZNQCLSA-N	245.366	4.567	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(CC2CC=CC2)CC1	2037140578	XXEGYNVCIVMLHE-RDJZCZTQSA-N	249.442	4.667	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H]1C[C@H]2C[C@H]2C1	2037146458	XWGRFFFZBFIKCH-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC[C@@]1(N)CCC[C@@H](C2CC2)C1)C1CC1	2037162835	QZTLTXBSSFEXIY-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C=CCCCC1)[C@H]1CC1(C)C	2037271821	LKKNQTLLHVQSPV-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CC1(C)C(C(=O)[C@H]2CCC3(CCCC3)C2)C1(C)C	2037673106	SPXYYQIPVLVDDI-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cccc(C2(C)CC2)c1	2038363400	OHZIFDXSAAQTIT-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
CNC[C@@]1(CC2CC=CC2)CCCC(C)(C)CC1	2039375548	KJIYQYYWSDLVRK-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C2CC3(CCC3)C2)CC1	2039379368	ZDMQYGWMEGRVLZ-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CNC[C@@]1(C[C@@H]2C=CCC2)CCCC(C)(C)CC1	2039384978	KRPPTZQNALAGCB-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)CCC(=O)C1CC2(C1)CC1(CCC1)C2	2039423479	BTONVRCOCPEVIB-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@H]2C(C)=CCC[C@@H]2C)C1	2039442270	RSDYSGQUVJRHGW-NNXHMXCWSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@H]2C(C)=CCC[C@H]2C)C1	2039442273	RSDYSGQUVJRHGW-UUAJXVIYSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@]2(N)CCCC23CCCCC3)C1	2040165750	KHPLWVZAJFUTBT-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@@H](C)C1)C1(C)CC=CC1	2042019397	NSTNNZIOGBUISH-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC1CC2(CCCC2)C1	2043185903	AKVMFKROWNQHEA-AWEZNQCLSA-N	247.426	4.578	0	10	BJAE	
CCN[C@H](CC1CCC(C)CC1)[C@@H]1C=CCCC1	2043188603	VBDRAZUOAGXQRT-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
O[C@@]1(C[C@@H]2CCC=CCCC2)CCC2(CCC2)C1	2045341310	YQUXKTYWIHCTGE-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](c1cc(C)co1)C1(C)CCCCCC1	2045797024	NDTZSNPAFFABEX-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CCC2(CCCCC2)CC1	2046583758	QLXYJSQFRDOAPR-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2CC23CCCC3)CC1	2047020529	QFHVCOJBGYKBPA-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2CC23CCCCC3)CCC1	2047034825	YOJOCHQPDCPJIX-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2CC23CCCC3)CC1	2047060372	XFJIYMFVCVQHHO-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C1CC1)[C@H]1CCCCC12CCCCC2	2048127017	GVKHZORVXLXVLW-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](N[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2048386165	XCQSMLUOQKAXGN-TWMKSMIVSA-N	249.442	4.514	0	10	BJAE	
O=C(CC1CCCCC1)C[C@H]1[C@H]2CCCCC[C@H]21	2048470634	UDYRPWKWZBVNIA-BJWYYQGGSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(F)cc2c3c([nH]c12)CCCCCCC3	2049674599	FSPZPCBQYPURHA-UHFFFAOYSA-N	245.341	4.665	0	10	BJAE	
C[C@@H](C(=O)CC1CCC2(CC1)CC2)C1CCCC1	2049935180	GHHRWEYOFYLUNT-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC(=O)[C@]1(C)C=CCCC1)C1CCCCC1	2050009727	NYXZWRSQLFNVRC-WMLDXEAASA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](CCCC=C(C)C)c1ccccc1F	2050495383	SWOUFXXINQQIDH-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@@H]2CCCCC23CC3)C1	2053417210	ZUGHADBZETWVFG-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C=CCC[C@@H]1C	2055569826	JNUQHEDQDOSZCW-USXIJHARSA-N	249.442	4.680	0	10	BJAE	
CC1CCC(C)([C@H](N)CCC2=CCCCC2)CC1	2056555934	CAJLGLZYSUYUNU-ARWYELJZSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H]1CC[C@H](C[C@H]2C=CCCCC2)[C@H]1CC	2058731640	QDMJZMPUCDUMHZ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H](C)c1ccccc1	2059224410	AGYHMRLQSNIDAU-WBVHZDCISA-N	245.410	4.515	0	10	BJAE	
C=C=CCC[C@@H]1C[C@@H](CCC)CC[C@@H]1NCCC	2061561358	QYAWKVFUCQUAEF-BBWFWOEESA-N	249.442	4.692	0	10	BJAE	
CCCCCC1CC(NCC[C@]23CCC[C@H]2C3)C1	2061572461	QUDWYDPRKGDMLE-XGHPGWEVSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C1CC(=C2CCC2)C1	2061645156	VQQQEROEXPEAPQ-KRWDZBQOSA-N	246.394	4.518	0	10	BJAE	
Fc1ccc(F)c(CCC2CC(=C3CCC3)C2)c1	2061728008	FDWNBJMGGAGKJV-UHFFFAOYSA-N	248.316	4.788	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C1CC(=C2CCC2)C1	2061733788	GMOOSOJXRJJTDN-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCC1	2063486344	IOFYPDAGVCNONG-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063510018	NIQBDBIQDSPQJT-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2C[C@@H]3CCC[C@@H]3C2)c1	2063531092	IQMXMBBSEYVWEV-PHZGNYQRSA-N	244.378	4.509	0	10	BJAE	
Cc1ccc(OC[C@H]2C[C@@H]3CCC[C@@H]3C2)c(C)c1	2063531767	OJKRTELUZSDYBT-PHZGNYQRSA-N	244.378	4.509	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C2CC3(C2)CC(C)(C)C3)C1	2063798619	OEAWYWCQDJRODW-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1CC2(C1)CC21CCC1	2064003139	VAZXBBUVJDFJLZ-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CCC23CCC(CC2)C3)cc1	2065280266	SJWJZCTYTPYOJK-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CN[C@@H](CC12CCC(CC1)C2)C1(C)CCCCC1	2065297936	MDNPTAAUSJBJSS-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CN[C@H]1CCCCCC[C@@H]1CC12CCC(CC1)C2	2065336716	FGNVPSFZJYUDBR-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC(C1CCCC1)C1CCCC1)C1(C)CC1	2065935494	GVPSYBQBRUAILD-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2C[C@@H]3CC[C@@H]3C2)cc1	2068759166	WCQIRHQKPQEAQD-MKZZRHPPSA-N	243.394	4.658	0	10	BJAE	
CCC1(C[C@H](NC)[C@@H]2C(C)=CCC[C@H]2C)CCC1	2069280407	KEYFZYUFAXTZEC-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@H]3C[C@@H]2C3)CCCC1	2069353052	ISOPDKFBHQDZLY-HLLBOEOZSA-N	249.442	4.658	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H](C)c1ccccc1	2070303460	HNIYCEOHDSUDPH-WBVHZDCISA-N	245.410	4.644	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC[C@@H]1CCC[C@H]2C[C@H]12	2070400776	YEGHXDYNETZQET-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](NC)[C@@H]2CC=CCC2)CC1	2072790378	FYFZXWLYCUJENJ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@H]2CC[C@H](C)CC2)c1	2072870582	DTLPEKNVSRMGSV-NNUKFRKNSA-N	244.378	4.703	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2CC3CCC2CC3)CC1	2072878798	PVALTIONNWQGFM-WEIUDFCLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C[C@@H]2CNC(C)(C)C2)CC1	2073112228	OANFTLPAACIKGS-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)[C@H]2CCCC3(CC3)C2)C1	2073787690	RNJGBDFWHIXRAV-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NCC1(C[C@@]23CCCC[C@H]2C3)CCC1	2074029169	MAUVASFCMWNBSR-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
C[C@H](c1ccccc1)N(C)[C@@H]1CCCCC1(C)C	2074795060	RAOGNBLFXUNIOA-GDBMZVCRSA-N	245.410	4.648	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CCC3(CCCC3)CC2)C1	2074893565	VMTPQNDJOCKTGY-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
O[C@@]1(CCC2=CCCCC2)CCC2(CCCC2)C1	2075721381	ORRZSXLDXSBNCZ-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](CC2C[C@H]3CCC[C@@H]3C2)C1=O	2076445342	YXJSFEZVALKRMV-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1N[C@@H]1CCC2(CCCCC2)C1	2079531191	QPOGBXWHXJRKSJ-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC(N)(C[C@@H]2C[C@H]2C2CCCCC2)C1	2079667734	YRXSRXQHVVRFTP-JUVOFCAFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)CCCC23CCC3)C1	2082980923	ZGBGGAMFNZXEEJ-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2C[C@H]3CCC[C@H]32)C1	2082981174	BENSHGBJCIXQGX-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H](N[C@@H]2CCC3(CCCC3)C2)C1(C)C	2084354510	CAVUCTDANBLSQE-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(N[C@@H]2CC(C)(C)C2(C)C)ccc1C	2084356229	SOGRLJPBBOOOGD-OAHLLOKOSA-N	245.410	4.794	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2C[C@H]3CCC[C@H]2C3)cc1	2086154901	YJDSSKQIJAKJAC-JLJPHGGASA-N	243.394	4.801	0	10	BJAE	
CCC(C)(C)C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213279797	LMSLSLMGBXLNTM-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(O)CCCCC2CC2)C1	2214569688	OMTUXRGKNFUVMM-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C[C@@H](N)C1CCCCC1	2214777012	PRMRLBPKHMMBIO-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@H](CC1(C)CC(C)(C)C1)NC	2215403317	YTLFFKZSEWZZCC-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@]1(C)CC=C(C)CC1	2215815533	LGWCRHJWKVXKQW-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccc2c(c1)SCC2	2216719240	XUFFLWLYFQMPRA-LLVKDONJSA-N	249.423	4.571	0	10	BJAE	
C[C@H]1CC(=O)[C@@H](CCCCCCCC2CC2)C1	2216896516	IUQLMYSJWBTVNB-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC(C)(C)C)CC(C)(C)CNC1CCC1	2217148353	CRBAUXMCUNDSMZ-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](CN[C@@H](C)CC)C1CCC1	2217157137	QMMRZSMEHSGPLS-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C1CCCC(N[C@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218331751	MCYKXNGGUHUNRU-SCAQPMJSSA-N	249.442	4.658	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C1[C@@H]2CCCC[C@@H]12	2218729886	FHONAKCDGBOBHX-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1(C)CC(C)(C)C1)[C@]1(C)C=CCC1	2221028374	PHVLULROLMQCFE-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](CNC(C)(C)C)([C@H]2CC2(C)C)CC1	2221656258	XSVDTJVFUGGPIC-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@H]1C[C@@H]2C[C@@H]2C1	2223117295	JXKNVJTVNICONR-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2CCCCCCCC1CC1	2223156860	BZBIVKGYZIHTKM-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H](C)c1ccc(C)cc1	2223967052	BLDLFBDTKJIRDS-WBVHZDCISA-N	245.410	4.562	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNc1ccc(Cl)cc1	2243008745	NHLIFGNWOAGTFQ-NWDGAFQWSA-N	237.774	4.578	0	10	BJAE	
Fc1ccc(CCC[C@@H]2C=CCCC2)cc1	2245899623	SEQJSWYMUMVLPQ-CYBMUJFWSA-N	218.315	4.505	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CC[C@@H]1CCC[C@@H](C)C1	2246658918	DSRHLNPQJLPNOT-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)CC1(C)CCCC1	2247122866	VICKJBPWNCEFGX-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC)CCCCC[C@@H]1C[C@H]1C	2247162721	CSORIMKMURWZHT-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)CN(C)CCCC[C@H]1C[C@@H]1C	2247175473	JKBZKRUJIWJLJG-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C[C@@H]1CCC1(C)C	2247412850	CYOWXJAJMYLUKX-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C(=O)CC[C@H]1CCCC12CC2)C(C)C	2247645172	JHZWMXUCKUDMEE-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)[C@@]1(C)C[C@@H]1C	2250488671	PLYGPTFAXYIWTK-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNCC1CCCC1	2250491817	RLOQSYLBQGAASG-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@]12CCC[C@@H]1CC2	2251161962	ISTWAVGXXFEKTC-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCC(CC)C[C@@]1(O)CC(C)(C)CCC1(C)C	2251672791	FLNIILCUVJIDIG-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)CCN[C@H]1CC(C)(C)CCC1(C)C	2251675643	UFOWRAZCWZZBKI-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@H]1CCC(C)(C)[C@H]1NCCC	2251702460	RSAMEGIMJMKTCM-CJKAQPIMSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CCC1CC(C)C1)NCC	2251753670	BBMWSUXYAHALGQ-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1CC(C)C1)[C@H](C)CCC	2251757147	KNSAHIUAHHKEDZ-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1CCCCC12CC2)NC	2253817426	KTCNLKNUUFFNNV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@H]2CCC23CCC3)CC1	2255025301	PIQNZNXXNRQKLG-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1[C@H](CC2=CCCCC2)CCCC1(C)C	2255046692	ABXRHVTZNSELJW-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C[C@H]1CCCC12CC2	2255336460	WVPGJOHVTFMXDI-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
Fc1ccc(C2CC2)cc1NC1CCCCCC1	2259127111	PTXBTYQOQZCWDM-UHFFFAOYSA-N	247.357	4.838	0	10	BJAE	
CC1CC(CCC(=O)CC2[C@H]3CCCCC[C@H]23)C1	2261512796	JVMYMGCGMJKMBD-BGHVQYPCSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H](C)CCCC(C)C)CCC1	2298841029	XWVWLIVPIWFCCE-ZBFHGGJFSA-N	237.431	4.680	0	10	BJAE	
CCCNCC(CC)(CC)[C@H](C)CC1CCC1	2298853019	OFNNDDHBFSZFRG-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CC=C([C@@](C)(N)CCCC(C)C)CC1	2300500301	FDTCADCUHMFZPT-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)CC[C@]1(CNC)CCC[C@H](C)C1	2300675708	HLMAWXPQIXXNJN-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@H]1CC[C@H](CC)C1	2300700971	ONACLDFPRMHHOJ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCCC(C)(C)C1	2300701505	SAAXWVIWUXQIBA-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)CC[C@@H](CNC)C1CCCCC1	2300705022	ZFOZZRRJQDZKLZ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@]1(N)CC[C@@H](C)[C@@H]1C(C)C	2300705767	HYGIRCURHOXAKH-VNQPRFMTSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](C)C1(CC=C(C)CCCC(C)C)CC1	2300927006	QVPHOTUSTXVKET-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)CC1CCCCCC1	2301142656	LGASNGAVUSDCCD-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H]([C@H](C)CC(C)C)[C@H](C)[C@@H](C)C(C)C	2301836537	NFFWXTDODYZODE-QKPAOTATSA-N	241.463	4.575	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](N)C[C@@H](C)CC(C)(C)C	2301843713	LKJAQENLQJIJGO-BARDWOONSA-N	241.463	4.704	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H](C)[C@H](C)C(C)C)CC1	2301899517	JXLPNXXLHOUBCZ-YCPHGPKFSA-N	236.399	4.620	0	10	BJAE	
C[C@H]([C@H](O)CCCC1=CCCCC1)C(C)(C)C	2302360902	GRWKCKBABWOVHF-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCC[C@H](C)CC=CC1(N)CCCC1	2302642336	XZEIULHAMVZGPT-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)C[C@H]1CCC(C)(C)C1	2302715425	FVLMUXGSXGAEGB-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@@H]2CCCC[C@@H]2N1	2307821550	HVOCIHSTUAPDAU-VGWMRTNUSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)CCC)C1CC(C)C1	2307909515	KRNPQIADQCWPLS-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CC1(CC[C@@H](N)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2310189708	JMDVZDZNPAUJMJ-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@]12CCC[C@@H]1C2)C1(CC)CC1	2310374665	BPNCMRITUWDERE-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C[C@@]23CCCC[C@@H]2C3)CC1	2311145040	SQPORCTZGPEWDP-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2C[C@H]2C2CCCCCC2)CC1	2311566521	PJZMPWFRETWJIK-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312936224	KNTPIVMCNJZZGN-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@H](N)[C@@]23CCCC[C@@H]2CC3)CCCCC1	2313292675	UFSIHSFLSVFVIC-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CCC(=O)c1ccc2occc2c1	2316272853	HRYOJOBMPCADKO-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CN(CC1CCCCCC1)C1CCC2(CC1)CC2	2316874134	QKLSELZBBZJRJY-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317209304	PZQDBLAWCIMOFL-QBPKDAKJSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)C[C@@H](C)c1ccccc1	2317836109	SUJJTFMBKNCHDJ-QLFBSQMISA-N	246.394	4.678	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1NC[C@@H]1CCC=CCCC1	2320146068	GKGUBFHTOSAHNV-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@](N)(CCCCC[C@@H]2C[C@H]2C)CC1	2320400748	BRHABBURYYPHIK-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CC=CC[C@]1(CN)CC[C@H]1CCC(C)(C)C1	2321619011	ILEHJQZBYRLMGP-BFYDXBDKSA-N	249.442	4.524	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@H]2CCC2(C)C)c1	2327677150	FZECDYUFNUGXGE-CVEARBPZSA-N	246.394	4.588	0	10	BJAE	
CCC[C@@H](NCC)c1c(C)c(C)c(C)c(C)c1C	35542087	WNRGIMDHQVGLKY-MRXNPFEDSA-N	247.426	4.679	0	10	BJAE	
CCCN[C@@H](CC)c1ccc([C@@H](C)CC)cc1	35580571	ZQCBKIQSPJNNQC-BBRMVZONSA-N	233.399	4.651	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1ccc(F)cc1	36664756	HQYSWISGHMMJSV-DAXOMENPSA-N	249.373	4.698	0	10	BJAE	
CC(=O)c1oc2c(C(C)(C)C)ccc(C)c2c1C	37337254	JAQPCOVFQIRCHS-UHFFFAOYSA-N	244.334	4.550	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)C[C@@H](C)C[C@H]2C	49829123	YYHBAWZNPCNGKS-VHSXEESVSA-N	237.774	4.544	0	10	BJAE	
CCC[C@@H](C)CCC[C@@H](NCC)C(C)(C)C	70747423	KCPSMJOAWQKMAG-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](CC)NCCC	71083958	UNKCCVMIVWYDBI-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1cccc2ccccc12	79904368	VRSGUXAJTLKIBM-MRXNPFEDSA-N	241.378	4.537	0	10	BJAE	
O=C(O)CCCCCCCCCC1CCCC1	80289230	XMKHJDJISUCUGF-UHFFFAOYSA-N	240.387	4.772	0	10	BJAE	in-vitro
CCCC[C@@H](CC)CC(=O)CSCC(C)C	83491342	HTUCVAOBVNOYGU-CYBMUJFWSA-N	244.444	4.551	0	10	BJAE	
CCCCC[C@@]1(O)CCCC[C@H]1C(C)(C)C	83502754	SRWBLIFYQSNJIP-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H](C)n1c(CC)c[nH]c1=S	88146324	IGXQEORIQRFANO-LLVKDONJSA-N	240.416	4.639	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCCCC1(C)C	94279851	ILSQEMKGCJDHEG-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H](NC1CCC(C)CC1)C1CCCCC1	103989142	AHHKZWWNDZMOCW-AVVWSFFYSA-N	237.431	4.514	0	10	BJAE	
CCCCc1ccc2c(c1)C[C@H](C(C)(C)C)CN2	109609066	YOQVTVKYWAGDLL-HNNXBMFYSA-N	245.410	4.660	0	10	BJAE	
CC[C@@H](C)c1csc(-c2ccc(C)cc2)n1	132194415	YIQLVGGIZFMOJA-LLVKDONJSA-N	231.364	4.632	0	10	BJAE	
CCCC(CCC)[C@H](NC)c1cccc(C)c1C	163462395	TVUCQOFDYFPZET-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
Cc1sccc1-c1cccc2ccccc12	165854905	QCFUDNJPYVMMOF-UHFFFAOYSA-N	224.328	4.877	0	10	BJAE	
CCN[C@H](c1cccc(C2CCC2)c1)[C@H](C)CC	169085642	QBBILZFOCNRKQN-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1ccccc1Cl	228668393	HARGUMBFZUYEEC-BXUZGUMPSA-N	239.790	4.556	0	10	BJAE	
CCC[C@H](C)[C@@H](N)c1ccc([C@H](C)CC)cc1	253624364	URWHRMUQYGIBLM-DVOMOZLQSA-N	233.399	4.636	0	10	BJAE	
Clc1cccc(N[C@@H]2/C=C/CCCCC2)c1	301029597	UFDQWEQLGQWPDW-FLUIGGAXSA-N	235.758	4.641	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2CC[C@H]3C[C@H]32)cc1	302663017	JOKZHXHGICRTPO-USXIJHARSA-N	243.394	4.630	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)c1cc2ccccc2o1	305903343	BUZXPZYCCOFSAV-JSGCOSHPSA-N	245.366	4.505	0	10	BJAE	
CCc1c(SC)cc2sccc2c1Cl	306845614	HCFSDMMXHUYHFY-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@H](CNC1CCCCCC1)CC(C)C	308087334	XZFJWGHKWISGOY-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1(CCC)CC1	309398118	GSYFEXLXZLIQHQ-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CCC)NCC1(C)CCCC1	309439344	ZDUUFWZPDXVJRT-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CC2(C)CCCC2)C1	310181178	XDRYICHDTKPYFY-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@@H](C)C1(CNC(C)(C)C)CCCC1	310224187	HWUQTISREDTHAW-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(-c2nc(C(C)(C)C)sc2C)cc1	310252054	YIWYUGDBGBROKQ-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
CCCN[C@@H](CCCCF)C[C@H](C)C(C)(C)C	310273181	DVUOSMTVCKOQNA-KBPBESRZSA-N	245.426	4.567	0	10	BJAE	
Cc1ccc(C)c(NC(C2CCC2)C2CCC2)c1	310681230	MMZXXRYDSJFYDY-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CCCCC[C@@]1(CNC(C)C)CCCC[C@@H]1C	318131151	XEUOYKRIYMAJHZ-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@H](C)[C@H](C)CC	319750549	XLGGFLKUEGKCAZ-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](N[C@H](CC)C1CCC1)c1cccc(C)c1	324872236	CCWKRCMYLSNHKJ-IAGOWNOFSA-N	245.410	4.614	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C(C)C)C1CCC1	324880736	DLZIBLRSWURODA-HOCLYGCPSA-N	239.447	4.760	0	10	BJAE	
CC(C)CC(=O)CCC1CCC(C)(C)CC1	381317986	USMCNMQYXSZZMX-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CCCC1(F)F	381552752	UWHMUVYESHRNQE-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@H](C)COc1ccc(C(C)C)cc1	382667842	WTODNAMGDZUQEH-AWEZNQCLSA-N	234.383	4.871	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)c1ccsc1	383213889	CQOBSACAZQXYOD-AWEZNQCLSA-N	239.428	4.615	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H](C)C1)C(C)(C)C	383524947	PBOZTEYLTFBTEM-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CCC[C@@H](C)c1ccccc1)NCC	384737267	KULRDKNBJHYZRS-WBVHZDCISA-N	247.426	4.739	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](N)CCC1=CCCCC1	384818803	BNETZSYZRVOZLQ-HNNXBMFYSA-N	237.431	4.523	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H](C)C(C)(C)C)c1ccccc1	384854322	GGJUVVAHWFNWLN-UONOGXRCSA-N	246.394	4.822	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C[C@@H](C)c1ccccc1	385291179	ZUDYTWLWVLKBQB-BFYDXBDKSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)CCC(C)(C)C	386040861	ARMSCGHFYXPUIU-ZIAGYGMSSA-N	227.436	4.760	0	10	BJAE	
CC[C@H](C)Oc1cccc(NC[C@H](C)C(C)C)c1	386781098	JTPDXDAPSVAZTH-KBPBESRZSA-N	249.398	4.568	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)C1CCCCC1	391184829	RVAINTYPTDLYAF-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC1(CNC[C@H]2CC(C)=C[C@@H](C)C2)CCC1	391785514	SBURTTRTNAEUDL-GDBMZVCRSA-N	249.442	4.539	0	10	BJAE	
CC1(C[C@@H](O)C2(C)CCCCCC2)CCCC1	394612147	SQRFISOHGGTXQQ-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCOc1cc(CC)c2sccc2c1Cl	396187902	JSVQRNUZCHJPFO-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C1CCC(C)CC1	400438983	ACZOTWMNKSMPNQ-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
O=C(CC1=CCCC1)c1cc2ccccc2s1	401135303	SIBFGEZVQJSGKF-UHFFFAOYSA-N	242.343	4.584	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CCC(C)(C)C2CC2)C1	405847011	KMKOCLNUPCNELZ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)CCC(C)(C)C1CC1	406090217	YBCBEURILSZQDV-ZFWWWQNUSA-N	240.431	4.636	0	10	BJAE	
CCCc1ccc([C@H](O)C2(CCC)CCC2)cc1	686929206	QOUSSWOJZQSCTH-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CC1CCCCC1	689713682	DQMGMHFGBLRNJV-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
C1CCCC(CCN[C@H]2CCC23CCCC3)CC1	693893467	APKYLWNIZFLMBO-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCc1ccc(C(F)(F)F)c(C(C)(C)C)c1	694937775	SZELHBWPYCCYOU-UHFFFAOYSA-N	230.273	4.565	0	10	BJAE	
CCN[C@H](C1CCCCC1)C1CCC2(CC1)CC2	695647300	LZDKORULXYJGFB-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCCC3(CC3)C2)CC1	695718329	UQXDMCAZNUSNSL-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)C[C@@H](C)c2ccccc21	696683183	KZYTUAQREJVXAA-DYVFJYSZSA-N	246.394	4.598	0	10	BJAE	
CCC(C)(C)CC[C@]1(CNC2CC2)CC=CCC1	696731534	BOVHAXIGTJPGAO-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@H](N)C[C@@H](C)CC(C)(C)C	697778041	SRLNYFGKLDNVBK-KGLIPLIRSA-N	225.420	4.523	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H]1C[C@@H]1C(C)(C)C	700009657	AEWQSNDZHJXEIJ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@@H]1CCCC[C@@H]1C	704931405	BQELPEZCJAHRMM-GXFFZTMASA-N	238.758	4.606	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@@H](C)CC(C)(C)C	708253632	GQFNPFXCLGSVEO-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C(=O)c1cscc1Cl)C(C)C	710444624	UQDBXHIENVLLRQ-UHFFFAOYSA-N	244.787	4.512	0	10	BJAE	
CC[C@H](C[C@@H](CCC1CCC1)NC)C(C)(C)C	711187181	AKGMFXNNGLIZAQ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)C1CCC(C)(C)CC1)C(C)(C)C	711198546	JXLWPVGEPBBECI-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H](C1CCCC1)C1CCC1	711831093	IJCRMUBGQHZUMZ-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@@H]1CC(C)(C)CC[C@H]1C)c1ccccc1	717540932	PCUYZKGRVFRORE-IJEWVQPXSA-N	245.410	4.552	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(CN)CCC=CCC1	718068835	SGDUEGAVVGNPKQ-CQSZACIVSA-N	237.431	4.524	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)c1ccsc1	718599641	GSNFRPMFBLVOQI-CQSZACIVSA-N	237.412	4.535	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CNC2CC2)CCC[C@@H]1C	718779428	MSEIYRFZSPRMAO-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1c(C)c(C)c(C(=O)C2(C)CCC2)c(C)c1C	720691026	HTZBZXHDZKDCEO-UHFFFAOYSA-N	244.378	4.602	0	10	BJAE	
CCC(CC)[C@@](O)(CC)CC1CCCCC1	720975712	AFRYYXPXYZOVLP-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCc1cccc(NCc2csc(C)c2C)c1	1308214400	AAKYOCWLTKEBKV-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
C[C@H](CN1C[C@H](C)c2ccccc21)CC(C)(C)C	1473570303	RGTGBEGRNXMFGQ-KBPBESRZSA-N	245.410	4.682	0	10	BJAE	
C=C/C=C\CCN(CC(C)(C)C)c1ccccc1	1617352987	RXEOFEYDPQDUSX-SREVYHEPSA-N	243.394	4.671	0	10	BJAE	
C1CCC(CSC2CCCCC2)CC1	1643506643	FBZFXNBCCVKAQO-UHFFFAOYSA-N	212.402	4.633	0	10	BJAE	
C[C@H]1CCC[C@@H](CCSc2ccccc2)C1	1656053616	ICFVLXIOIGFUEE-KBPBESRZSA-N	234.408	4.995	0	10	BJAE	
CN(CC1(C)CCCC1)C1CCCCCCC1	1663536803	JXKYVZWVKGRKMK-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
Cc1c(F)ccc(CCC2=CCCC2)c1Cl	1901204583	FTBTXZACHAQZKX-UHFFFAOYSA-N	238.733	4.830	0	10	BJAE	
CC=CCCCC(=O)CCC1=CCCCC1	1901689101	OHUCXVLSFNUGOG-UHFFFAOYSA-N	220.356	4.583	0	10	BJAE	
Cc1sccc1-c1cc2cc(F)ccc2o1	1901899920	UTSJUVHUUYSZMB-UHFFFAOYSA-N	232.279	4.609	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C[C@@H](C)C(C)(C)C	1905431506	KPPSNRDHASMHCC-CHWSQXEVSA-N	226.404	4.844	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(N)C2CCCC2)CC1	1909702701	DTRGDMKDOLBWCQ-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H]1C[C@@H]1C(C)(C)C	1912036571	KFFDOBZWFPVBGJ-PMPSAXMXSA-N	249.442	4.559	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(N)CCC2(CCCCC2)C1	1915901872	JBZAPYDGRAFHCB-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	1917328759	IPLODRLIDODORY-BFYDXBDKSA-N	243.394	4.630	0	10	BJAE	
CCc1ccc([C@@](O)(CC)CCC(C)(C)C)cc1	1919611354	PWRHBOONILMNCD-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)c1cccc(C2CC2)c1	1920202187	KFSUOCJILJUEFO-SUMWQHHRSA-N	245.410	4.564	0	10	BJAE	
CCCC1CC(C(=O)[C@@H]2CCCC[C@H]2CC)C1	1921274907	KEZSSWXVVOZHOS-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
NC[C@H]1CCC2(CCC2)[C@@H]1CCCCCC1CC1	1924819056	SRQQXQZQBXPRKG-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
Clc1cccc(CC[C@H]2C=CCC2)c1Cl	1932592425	IRAADZVPGKUQCC-JTQLQIEISA-N	241.161	4.892	0	10	BJAE	
FC1(F)CCC[C@@H](CC[C@@H]2C=CCC2)C1	1932597078	ZFPSDRIHVFWBNG-NEPJUHHUSA-N	214.299	4.558	0	10	BJAE	
C1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@@H]3CCCC[C@@H]3C[C@H]21	1933278072	HYWZGHCYRBLPFH-JXEZDRHFSA-N	218.384	4.639	0	10	BJAE	
CCCCCC[C@@H](N)C(CC)(CC)CC	1933701585	VGEARTDYLSLXKN-CYBMUJFWSA-N	213.409	4.501	0	10	BJAE	
CCc1cscc1C(=O)CCC(C)=C(C)C	1938812069	PGPZRZNXEVFWDN-UHFFFAOYSA-N	236.380	4.630	0	10	BJAE	
CCc1cscc1C(=O)[C@H](C)CC(C)(C)C	1938821900	KCVUYULFJMUZKF-SNVBAGLBSA-N	238.396	4.566	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCC[C@H]1CC1(C)C	1940876276	LIWCXQFVXLRWBK-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCCCCC1CC1)[C@@H](C)CC	1941587479	SVUCOIRLGPREAP-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@](C)(CCCCCC1CC1)CNC1CC1	1941600055	OMAVTUGZGJCPFZ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)CCC1CCCCC1	1942659679	JTNCOMNTAKSOMA-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)Nc1ccccc1C1(C)CC1	1944595853	HWQILXALYYAFJU-ZDUSSCGKSA-N	231.383	4.729	0	10	BJAE	
CCC(CC)CC1(N)C[C@@H]2CCCCC[C@H]2C1	1947856922	IHVJPWVNPZWAEQ-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)c1nc2c(s1)[C@@H]1CCCCC[C@@H]1C2	1947860916	XIGJSTGLLWSWQW-GHMZBOCLSA-N	249.423	4.661	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CC=CCC1)CC(C)C	1948863246	LGYALNPKXHFAFC-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CCC(C)(C)C	1948973055	PHTXRBSQTJYMTQ-XJKSGUPXSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCC2(CCCC2)C1	1949449835	BTCZYWQIXAXUMS-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
Cc1cc([C@@H](C)N[C@H]2C=CCCCC2)c(C)s1	1950618396	HXEDBEVTTSSOFI-OCCSQVGLSA-N	249.423	4.514	0	10	BJAE	
CC(C)CCN(CCC(C)C)CCC1(C)CC1	1968282970	RMBHLLWCGAWUGD-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
Cc1ccc(OCC[C@H]2CCC[C@@H](C)C2)cc1C	1968307019	CGCZGELNHNDMHZ-CZUORRHYSA-N	246.394	4.899	0	10	BJAE	
Cc1ccc(NCC2CCC3(CC2)CC3)cc1F	1968319634	ANXSKNKBFLAWHQ-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CCc1cccc(N[C@@H](C)CCCC(C)C)c1	1968331114	AIOLQJKSHCKPIB-AWEZNQCLSA-N	233.399	4.876	0	10	BJAE	
CC[C@H](Nc1ccc(F)c(C)c1)C1CCCCC1	1968591991	QGCPYFQMQMRTDK-INIZCTEOSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H](NC(C(C)C)C(C)C)c1cccc(C)c1	1968604451	RHLIPDKOXNNXDS-MRXNPFEDSA-N	247.426	4.716	0	10	BJAE	
C[C@@H](N[C@H]1CCC2(CCCCC2)C1)C1(C)CCC1	1970849570	OZIDTDRGYUQSJZ-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](c1cccs1)C(CC)(CC)CC	1978562135	BZHVPTVQNKGRCD-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](C)c1nc(Cl)cc(C(C)C)n1	1978645404	NMAXUEZDONGKIJ-JTQLQIEISA-N	240.778	4.547	0	10	BJAE	
CCC(C)(CC)C[C@H](O)c1cccc(Cl)c1	1980681651	OPQCPNWYYRVVTA-ZDUSSCGKSA-N	240.774	4.590	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@H]1CC[C@H](C)CC1	1989816499	LTDVASMILWJDDN-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CC(C)=C(C)COc1cc(C)c(Cl)cc1C	1989923773	DOWCRXORFHLATH-UHFFFAOYSA-N	238.758	4.692	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CCC[C@@H]1C	1990091698	QATMPJJVZYCCIW-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCCCCCN(C)[C@H](CC)CCCCC	1990805573	KGEXYRSJIMXOKA-OAHLLOKOSA-N	227.436	4.857	0	10	BJAE	
CCCCC[C@@H](CC)N(C)Cc1ccsc1	1990828040	BPSKBCDMESWRHP-CQSZACIVSA-N	239.428	4.539	0	10	BJAE	
CC(C)C(C)(C)CN(C)CC1(C)CCCCC1	1995983522	PDNHHJKYYADYOZ-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCSc1cccc(NC[C@H]2CC[C@H](C)C2)c1	1996220319	WCDUSWXAHRUUNG-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H]1CC[C@H](C)C1	1996233530	XBTCAEDIBVKGSP-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@](C)(N)C2(C)CCCCC2)C1	1996262952	IATADDYPJPGTHB-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)C1CCC(C)CC1	1996555652	SQDHOYFMQBQEEG-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@H](C)CCC(C)C	1996585365	HGZHPMWCKNDXTM-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCC2(CCC2)C1	1998694040	RUKDDIKOSRKVJU-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)[C@H]1CCCC(C)(C)C1	2000044349	IJECIWOFHGFDCH-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](C)(CN)CC(C)(C)C(F)(F)CC	2000500666	WWHPQTKWNUOTMN-ZDUSSCGKSA-N	249.389	4.603	0	10	BJAE	
CC(C)=CCCC1(O)CC2(CCCCCC2)C1	2000666665	YAQJURWJVOKBDW-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCN(C[C@H](C)C(C)(C)C)c1ccc(C)cc1	2000906548	RIRYZVHNJDJAJZ-AWEZNQCLSA-N	233.399	4.504	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C1CC(C(C)(C)C)C1	2002303613	DHGMXWXCMPIAKD-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC([C@](C)(O)C(C)(CC)CC)CC1	2002928412	YAVQBQUHBAJPCD-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C2CCCCCC2)C1	2003012845	CNAKESSDODUCTL-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)[C@H]1CCCC(C)(C)C1	2003022088	ZUPYVFCEOUVOQN-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H]1CCCCCC[C@H]1C[C@H](C)CC	2003116250	HSSFEGSLZQLDKU-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCC[C@H](C)C2)CC1	2004341087	GZWPUCZYOOPNFM-UIDBIOKJSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H]1CCCCC12CCC2	2005563353	JSZHLCGKKSCMQR-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC1=C(C)[C@H](NC[C@H](C)CC(C)(C)C)CCC1	2006924878	HHHWCYXXAUYEJW-IUODEOHRSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@]1(O)CCCCC[C@H]1C(C)C	2009587935	HTKJBCYHVQLAAJ-SWJNODNISA-N	238.415	4.700	0	10	BJAE	
CCCCC1CC(N)([C@@H]2CCCC[C@H]2CC)C1	2009789281	IFODJPZVDMEPGD-LVDPKSTMSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](NC)C1=CC[C@H](C(C)(C)C)CC1	2010712632	JTVHCNNJXRMYFO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCCNC12CCC(CC1)CC2	2012837127	UMYDZMIMVOLTER-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC([C@](O)(CC)CCC(C)C)CC1	2013270594	JYTGIILGUNPHTO-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CC1CCCCC1	2013310151	WUPPCFNUEBVCFL-INIZCTEOSA-N	239.447	4.713	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)C(CC)(CC)CC	2015280016	BNZUOIUQDSRNDC-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C[C@@]1(O)CCCC(C)(C)C1)C(C)C	2015280856	IXJLMRIFVHBPAI-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](O)c1csc2ccccc12	2015283224	BZPBPJAAFBYOOF-FZMZJTMJSA-N	248.391	4.617	0	10	BJAE	
CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@@H](C)[C@H](C)C1	2016148599	BBKSTPXSUQGLAS-FPCVCCKLSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@H]1C[C@@H]1CC	2016849555	XIZPFRUVOCYEGN-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C[C@H]([C@@H](N)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017146494	TWCIAGYRJDGJJN-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
CCc1cccc2ccn(CC(C)=C(C)C)c12	2017465602	WXKWMNOBDCRXBR-UHFFFAOYSA-N	227.351	4.560	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C(C)(C)C1CCC1	2017478666	UMJFYPOAFHCNNY-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CNCC)C[C@H]1CC[C@H](CC)CC1	2017726523	ZMMYIGARHGXNBW-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCCC1(NC[C@H]2CC[C@H](CC)CC2)CC1	2017727881	FLMLDTRYISBLFR-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(CC(=O)C2CC(CC)C2)CC1	2017768759	CXZMZTSIHJNJBX-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@]1(C)NCC1(C)CCCCCC1	2017868665	NMYVWYHIAHFMIO-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](C)N(C)C1CC(C)(C)C(C)(C)C1	2019386581	ULPQOQGLPPHVKL-OLZOCXBDSA-N	239.447	4.568	0	10	BJAE	
CC1(CN[C@]2(C)CCC2(C)C)CCCCCC1	2020586404	XJYGHQFKMRZOKY-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C(=O)[C@H]1C[C@@H]1C1CCCCCC1	2022414994	OTIHMEASONZYSQ-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N[C@H](C)CCC(C)(C)C)C1	2025579146	TWYUGWYZOGAATG-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1C[C@@H]1CCC	2026078327	COFJFVMSPZYPNG-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1CC2(CC2)C1	2026082641	SJKOHXFQKQKCLU-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C[C@@H](C)C(C)C)NC	2026164773	WCGJWLIZYFIMQZ-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1ccc(C2CCC2)cc1	2028227226	BAOHYFMDLRWZGP-DLBZAZTESA-N	246.394	4.670	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)c1ccc(C2CC2)cc1	2028593316	LSFHRHQDSWUOQO-SJORKVTESA-N	245.410	4.636	0	10	BJAE	
Cc1cc(C)cc(C(=O)CC2CCC=CCC2)c1	2028872547	HNMDXXPBRNTKCP-UHFFFAOYSA-N	242.362	4.623	0	10	BJAE	
CCCc1ccc([C@@H](NC)C(C)(C)C(C)C)cc1	2032345615	FRSNBNGXSQIBHO-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@H]1CC[C@H](CC)C1	2035603906	XOVHIEXIJQZRLO-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1CCCCCCC1)C1CC2(CC2)C1	2036174996	GBQJPKYUPODFDZ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCCN(C)[C@H]1CCC2(CCCCC2)C1	2036770028	AHZCYNQOFYZXHX-INIZCTEOSA-N	247.426	4.554	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)C2=CCCCCCC2)C1	2037074645	VNDWSLATORLJCE-RRQGHBQHSA-N	247.426	4.587	0	10	BJAE	
CC(=CCCNC(C)C)[C@H]1CCC2(CCCC2)C1	2037692456	FQUXYVXFAZGSRH-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CC(C)(C)C1)C[C@@H]1C=CCCCC1	2037970578	SSOJMTIUYXIMSY-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c([C@H](O)[C@H]2CCC[C@H](C)CC2)c1	2039358881	GFJNMJNLSQQJBQ-YLQAJVPDSA-N	246.394	4.553	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@H]1CCC[C@@H](C)CC1	2039371316	VTZNKGPDDNVKOO-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2CC=CCC2)CC1	2041378959	HVZSEVBISLFHRF-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
CN[C@@H](C[C@H](C)C1CCCCC1)C1(C)CC=CC1	2042020182	VHDNOTNAVGNEEP-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@H]2CC(C)C)c(C)c1	2043687403	SERPEABZVPHWAY-JKSUJKDBSA-N	245.410	4.848	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CC2CC3(CCC3)C2)C1	2045507717	RJSVBEYICQGHJP-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@@H]1CCC[C@H](C)C1	2045681468	ZIEOGQWMKRNSBY-MKVSYHDVSA-N	248.410	4.764	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@H]1C(C)=CCC[C@H]1C	2045808616	XSHOTNZROOEXJZ-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1CC12CCCCC2	2047011166	WGXMDTHAXJGWFF-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
CCNC[C@]1(CC2(CC)CCC2)CCC12CCC2	2047942259	IWOOPZCTQWSHCA-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1CCC(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048467342	OHDXJOHTMHOVMY-LISQQWEMSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@@H]1CCC12CCC2)[C@@H]1CCCC(C)(C)C1	2049531738	GCJLTSRBRHOSTA-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C2(O)CCCCCCCC2)cc1C	2049696828	KALXNDMXBYFHMM-UHFFFAOYSA-N	246.394	4.625	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H]1C)[C@]1(C)C=CCCC1	2050003214	NMGJOTSXXFBRQJ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1CCC(CC)CC1)[C@@]1(C)C=CCC1	2050008950	WHSFYHSOTNKZJC-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@]1(CCC=C(C)C)CCCC12CC2	2053355921	KKEFELUNRUUGNY-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CCC[C@@H](C(C)C)C2)CCC1	2055553390	YOYIUSDAPITYEO-IXDOHACOSA-N	249.442	4.680	0	10	BJAE	
C[C@@H](NCC1(C)CCC(C)(C)CC1)c1ccco1	2056535363	BKVDCDJOASOUPS-CYBMUJFWSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@]12CCCC[C@@H]1C2	2059177757	MDKJWWNANMFDMN-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1(C2CC2)CCCC1	2059221290	LMFMLUUJKDRABH-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H]1CCCCC12CC2	2059261303	CYLYJKKQXWFLHZ-BYQDXSGLSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(N[C@@H](C2CCCC2)C2CC2)C1	2059392442	RCLQFKZBDSWFRW-IMRCBTMISA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C(C)(C)C)CC1)C1(C)CC1	2061095173	LGKGNAPQNREEMM-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CC[C@@]23CCC[C@@H]2C3)C1	2061574023	CNBDJHCOAOWOTI-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)C1CCC2(CC1)CC2	2062820528	XIDFHZJMAIWRGQ-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1C[C@@H]2CCC[C@H]2C1)C1CCCCCC1	2063535808	MSCYDUFYIFMAEF-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1CCCCC1)C12CCCC1CCC2	2063821582	JAXIMNUQOFJUQK-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@H]1CCCCCC1(C)C)C1CC2(CC2)C1	2064509346	WKOQTPLXPGHRIT-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC=Cc1ccccc1	2065999197	GIUDZVOFUYYSKY-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
CC[C@H]1CCC[C@H](c2cccc(C(C)(C)C)c2)N1	2066382139	YZYFNBMIYYNHLQ-JKSUJKDBSA-N	245.410	4.577	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)C[C@@H]1CCC=CCCC1	2068271804	ORWYRAXGWHQRPS-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068722972	KXAGAMWYJAELNS-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)C1(CC2CC2)CCC1	2069512015	XOJRJEDPWNEPCW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1CC2(CCCC2)C1	2072429538	PSUFAAQQLWYWEZ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C=C(C)C[C@H]2CCCCN2)CC1	2072813428	UAZQDRYXLJNNIW-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](CCc2ccccc2N)CC1	2072818138	JVIVKGFGACDYQV-SHTZXODSSA-N	245.410	4.808	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C[C@]12CCCC[C@H]1C2	2074023297	BPOJLWVOPFTQBQ-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
Cc1nn(C2CCC(C(C)(C)C)CC2)c(C)c1C	2075228005	SNBGOKJBGOGLRF-UHFFFAOYSA-N	248.414	4.586	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H]1C[C@H]1C1CCCCCC1	2079532892	XMSFEMJLHBOOOK-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)n1nc(C(C)C)c(C2CC2)c1Cl	2079773230	CPCNLKVCHSUQRL-SECBINFHSA-N	240.778	4.508	0	10	BJAE	
CCC1(C(=O)C[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079861019	FEKNHYGZEOFGLH-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H]2CCC=CCCC2)C1	2084996663	XADMPXVSBNSKRM-HWOWSKLDSA-N	248.410	4.908	0	10	BJAE	
C1CCCCC(NCC[C@@H]2CC23CC3)CCCC1	2086415365	OABNRTNMROVPFZ-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
Cc1ccn([C@@H](C)[C@H]2CCCC(C)(C)C2)c1	2211149702	XGIDXMISIBGIHL-KBPBESRZSA-N	219.372	4.574	0	10	BJAE	
Cc1c(F)ccc(C[C@H]2C=CCCC2)c1Cl	2211162504	WROZDHUMJVHYHE-NSHDSACASA-N	238.733	4.686	0	10	BJAE	
CCc1cc(Cl)ccc1NCCC=C(C)C	2212631523	QAAHWVGTYDICNZ-UHFFFAOYSA-N	237.774	4.671	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@@H](O)C1(C)CCCCCCC1	2215237588	QOQCVNIBQHORFA-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC1(N)CCCCCCCC1	2215253563	RHFSXTWTCIVMFT-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C[C@H](N)CCCCC(F)F)C(C)(C)C	2216426870	DKHJQPYADQIVLO-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CCC(C)(C)C)C(C)C	2217137270	KKACDYOMEHZVQC-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@]1(CCC(C)C)CC=CCC1	2217143017	TZJFSRIPDLYMCX-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CCC1CCCCC1)CN[C@H](C)CC	2217144366	FGTGSUANBHYRFI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NC[C@H](CCC(C)(C)C)CC(C)C	2217152321	CWQFSFDLIKHDPO-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
Cc1cc([C@H](C)Nc2cscc2C)ccc1F	2217349268	VDPVPUKBBYLMPS-NSHDSACASA-N	249.354	4.677	0	10	BJAE	
N[C@H](CC1CCCCC1)C1C[C@H]2CCC[C@H](C1)C2	2218346960	UDPJCXWVEKCYHD-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@](C)(O)CC=Cc1ccccc1	2219044383	RDOUDSHXZAFDLE-KRWDZBQOSA-N	246.394	4.811	0	10	BJAE	
O=C(C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCCC1	2222948209	GKTLZTQMZJUTPG-IIAWOOMASA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@@H](C)c1ccc(C)cc1	2223970158	VSKBVYWVSKQABP-GOEBONIOSA-N	247.426	4.513	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)c1ccc2occc2c1	2224162831	PLZISVMWDIMJCG-AWEZNQCLSA-N	245.366	4.505	0	10	BJAE	
CCCCC[C@@](N)(CC)c1csc(C)c1C	2242626795	MPRCCYICZILDTR-AWEZNQCLSA-N	239.428	4.509	0	10	BJAE	
CCCC[C@H](C)C(=O)CCCC[C@H]1C[C@@H]1C	2243054495	YFSJYLZEJUQDIN-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C(=O)CCCCC(C)(F)F	2244784539	UESQMPUASQZLAZ-LLVKDONJSA-N	234.330	4.597	0	10	BJAE	
CCC[C@@H](CC)C(=O)CCCCC(F)(F)F	2244785769	XYPGSCALHSLYKI-SNVBAGLBSA-N	238.293	4.505	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1ccc(C)cc1Cl	2244786238	YZIIMBLPDSRRFD-FZMZJTMJSA-N	240.774	4.508	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CC[C@@H](C)C(=O)C2)C1	2246665563	SEUOLTHHULOMCG-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)CC[C@H]1CC1(C)C	2247162684	HVZMZCLDGLXMPR-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](O)(C[C@@H]1CCC12CCC2)C(C)(C)C	2247410048	ZMQQAHIZAOTSBU-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@H]1CCCC(C)(C)C1	2250356532	QZGPHHQAVATURB-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@]12CCCC[C@H]1CC2	2251128176	PSXKQWNIYOMUEX-OFQRWUPVSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@@]12CCCC[C@H]1CC2	2251177789	BDPHNOGXEDNTTK-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@]12CCC[C@@H]1CC2	2251205799	RHLAUBWTZMOCFW-FMKPAKJESA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@@H](C[C@H]1CCCCC12CC2)NCCC	2253791325	HJLLWADLMRRKFA-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@H](N)C[C@@H]1CCCCC12CC2)C1CCC1	2253809761	KFPHXWMSOOOXCK-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@]1(CN)CC[C@H]1CCCCC12CC2	2253838325	IXJSMHBNSRKGCT-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
C[C@@]1(CC[C@@H]2CCCCC23CC3)CCCCCN1	2253883015	FIJOXEJKFBLRGA-HOTGVXAUSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CC1CC2(CCCC2)C1	2254111528	YLYAZKSOZZZUQS-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@H]1CC[C@@]1(N)CC1CC2(CCCC2)C1	2254113928	QXKDCRSZRYXVHL-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NCCCC[C@H]1C[C@H]1C)c1ccccc1	2254535424	PVIADVXKNWKCIU-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
Cc1cc(C)cc(N(C)CCCC[C@@H]2C[C@@H]2C)c1	2254586400	OQSDBSIDLAFRJB-JKSUJKDBSA-N	245.410	4.566	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@H]1C[C@H]1C1CCCC1	2254603592	CILXXORTKRPMOO-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@H]2CCC23CCC3)CC1	2255013250	LVZCNTCOUOABON-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CCC(C(=O)CC2=CCCCC2)CC1	2255133573	UWUKEQPFBMGCMV-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@@H](C)C1CCC1	2255137651	PWXJCWQRZSHZOQ-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)C[C@H]2CCCC23CC3)C1	2255224944	GLIZEWLVEZBOHZ-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@](N)(CC[C@H]2CCCC23CC3)CCC1	2255266877	CPYBROVBNFSUIY-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
Cc1cccc(C)c1NCC[C@@H]1CCCC12CC2	2255335499	SIGRCFCKDAZUGE-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
C[C@@H](NCCC1CCCCCC1)[C@@H]1CC12CCC2	2256410168	KFNCJDZBGVPPCK-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@@H]1CC12CCCCC2	2257314722	ZMYLVNQIGCUETE-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1cc(NC[C@H]2CCCC[C@@H]2C)cc(C)c1C	2258236201	HKHXFOPWYXJDSN-BLLLJJGKSA-N	245.410	4.850	0	10	BJAE	
C1CCCC(NC[C@]23CCCC[C@H]2CC3)CCC1	2260547684	XCVVSMYUHKEICL-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@@]12CCCC[C@@H]1CC2	2260588967	VOADEPLLLDRFCQ-KEYYUXOJSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(NC[C@@]23CCC[C@H]2CC3)ccc1C	2260592521	QUEUZAMXGLKUQQ-RDJZCZTQSA-N	243.394	4.550	0	10	BJAE	
CC(C)C1([C@H](N)C[C@@]23CCCC[C@@H]2CC3)CCC1	2260601249	ICTVTDVYAOVDDO-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(c1cccc(C2CCCC2)c1)C(C)C	2260717598	YRVHGVLJAFGEQP-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC(=CCC(=O)[C@@H]1CC1(C)C)CCCC(C)C	2300926205	JUZKFNQYULWRBM-AWEZNQCLSA-N	236.399	4.764	0	10	BJAE	
CC(=CC[C@H](O)CC1(C)CC1)CCCC(C)C	2300931317	ITTBRMMQRUTMKB-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
CC(C)CNC[C@H](C)CCC1CCCCCC1	2301141930	DTXLRLJOABYIMG-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)CCC(=O)c1ccccc1	2301906562	AUROXGUHBYXCHC-UONOGXRCSA-N	232.367	4.578	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1CCCC1=CCCCC1	2302344915	LSTNWPORHFNGOD-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CCC(CC)CCC(=O)C[C@H]1CC[C@H]1C1CC1	2303010441	CDEUGTOLDZLIOL-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@@H](C[C@H]1CCC(C)=C(C)C1)NC	2303595107	OUBQPFGZSQVHEO-RCBQFDQVSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H](C)C2CCC2)CC1	2303597190	NSRVZNZEFYBHJT-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC(C)(C)C1)CC(C)(C)C	2304412559	UVWYDRYFGIQDAP-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](O)CCC2CCC2)C1	2304431859	OYOOPSYTLZVKEW-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C)[C@H](C)CC[C@@H]1CCC(C)(C)C1	2304439428	JVIWMBICCSYYCH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)CCC1CCCCC1	2307903919	QOUPGVHTSINXRM-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CC(C)=C[C@@H](C)C1	2307908604	QFZGWOVCCDVWIU-BVUBDWEXSA-N	237.431	4.523	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CC[C@@]12CCC[C@@H]1C2	2310388424	XVUQYDCBIZSUBC-VVLHAWIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)[C@@H]1CCCCC12CCC2	2310427265	WTMDNUYBWWSHMV-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)[C@@]23CCCC[C@@H]2CC3)CC1	2313294106	DJMCCHVXLRYKID-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1cc(C(C)C)ccc1C	2315875364	WUYSVUJJKBUDLW-GOEBONIOSA-N	245.410	4.967	0	10	BJAE	
CC(=CCc1nccc(C)c1F)CCCC(C)C	2316491577	OUNGFFZQJDJUDZ-UHFFFAOYSA-N	249.373	4.844	0	10	BJAE	
CC1(C)CC(CC(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316738758	KYWJPSHXZCPPCM-AEGPPILISA-N	248.410	4.598	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CCCCC1CC1	2317555600	KROSYQNIUYSKOE-UHFFFAOYSA-N	245.341	4.669	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)[C@H](C)C(C)C)c1	2317825306	WUYJDINSYVQCKB-ZIAGYGMSSA-N	247.426	4.904	0	10	BJAE	
CC[C@](O)(c1cccc(C)c1)[C@H](C)[C@H](C)C(C)C	2317859434	PVPFKQZTCRAKKE-BFYDXBDKSA-N	248.410	4.521	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H](C)C1CC=CC1	2317933519	HMWTUCRONZLQIA-GFCCVEGCSA-N	247.357	4.716	0	10	BJAE	
C[C@@H]1[C@@H](NC2CC3(CCCCCC3)C2)CC1(C)C	2318182129	JSVCIXGHGKOEJC-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H]1[C@@H](CCCC2=CCCCC2)CC[C@H]1C	2318572795	KDZJOQRVDBVSLU-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)C[C@H](C)C1CC1	2318595251	NRPMEUPWWUICBT-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C[C@@]1(CCC[C@@H]2CCCCC23CC3)CCCCN1	2318840964	IUBFTFXHOSTMPH-HOTGVXAUSA-N	249.442	4.659	0	10	BJAE	
C1CCCC(CCN[C@@H]2CCCC[C@H]3C[C@H]32)CC1	2319253417	VBXXKAVYFSTACS-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](Cc1cccc(C(C)C)c1)NC	2320649150	VWNFPGWOEKJNDM-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccccc1C1CC1	2328280838	CLCIFUGVAOZHLO-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1	20566074	QTFCAJWHONIFHZ-DZGCQCFKSA-N	231.383	4.622	0	10	BJAE	
CCCCCCN[C@H](C)c1cc(C)sc1C	21009183	DATOJYIPFIBLOA-GFCCVEGCSA-N	239.428	4.596	0	10	BJAE	
CCC(CC)[C@H](NC)c1c(C)c(C)cc(C)c1C	35491464	CKHMDNOJVWQZQF-KRWDZBQOSA-N	247.426	4.617	0	10	BJAE	
CC(C)C[C@@H](N[C@@H](C)CC1CC1)c1ccccc1	70101749	GKCNBTPOAQNVKC-WMLDXEAASA-N	245.410	4.552	0	10	BJAE	
CCCN[C@H](c1ccc(C)c(C)c1)[C@@H](C)C(C)C	70123460	NBTPMZPCLVQBNX-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CCCCC[C@@H](N)c1ccc(F)c2ccccc12	70372842	LPVUYDWFJYCSQV-MRXNPFEDSA-N	245.341	4.559	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cc(C)cc(C)c2)C1	71105817	KQABBMLCNHWWEO-HUUCEWRRSA-N	231.383	4.684	0	10	BJAE	
CC[C@H]1CCC[C@@](O)([C@@H]2CCCC[C@@H]2CC)C1	71126990	NXRCEIXWISUYOZ-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC)c1ccc(C)c2ccccc12	79905009	RVEHUNIDAWBPNC-QGZVFWFLSA-N	241.378	4.599	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCC[C@H](C3CC3)C2)C1	81629467	VIVGWWQKJWGTPM-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
C=CCCCCCc1ccc(CC)cc1	82215332	XKRRDIQGRPYYMM-UHFFFAOYSA-N	202.341	4.538	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCC[C@H](CC)C1	82847502	KIHWQWZODZEQJQ-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
CC[C@H](Nc1cc(Cl)ccc1Cl)C1CC1	83054027	XIQGBIHUMHMXKC-NSHDSACASA-N	244.165	4.594	0	10	BJAE	
CCCC[C@@H](C)N[C@H]1CCCC(C)(C)CC1	83435742	KKQYRSOLQHPXKH-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1cc(C)c(C)cc1C	86494797	CTBIYLHBFBJCPD-KRWDZBQOSA-N	247.426	4.699	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1sc(C)cc1C	88047393	KNQFQLVKLOFGBV-QWHCGFSZSA-N	239.428	4.581	0	10	BJAE	
CCCC(=O)c1cc2cc(C(C)C)ccc2o1	88071786	YJOCZBANJHQCIG-UHFFFAOYSA-N	230.307	4.539	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](c1ccccc1)C1CC1	88296742	OOFCRAOQNCXMKQ-VBQJREDUSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CC)CCCCCN1	91874390	WJHMMHAZTLXFHJ-JKSUJKDBSA-N	239.447	4.905	0	10	BJAE	
CCN[C@@H](c1cc(C)cc(C)c1)C1CCCCC1	109726577	JNKLIVKUXLMNMN-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CCc1ccccc1	109728773	KKUHOUOTYRGHCD-WBVHZDCISA-N	247.426	4.553	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCC)c1ccco1	109742699	RBXFLJUFRKLBNI-KGLIPLIRSA-N	237.387	4.537	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CC2CC2)c(C(C)C)c1	109787741	NRWKSZLDLYJFBP-KRWDZBQOSA-N	246.394	4.767	0	10	BJAE	
CCCc1ccccc1N[C@H](C)C1CCCC1	109809337	HYEFGAAYVIRHQC-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCCC[C@@H]1C	109900242	IVFJROHIKHYTGX-WFASDCNBSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@H](CC)CNc1cccc(OCC)c1	110166938	KXJVFINBJXVLJV-AWEZNQCLSA-N	249.398	4.714	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1ccc(C(C)C)cc1	112885159	CAANNNFANYIQGF-XJKSGUPXSA-N	234.383	4.670	0	10	BJAE	
CCCCC1CCC([C@H](O)CC2CCC2)CC1	123171822	BNIVSZZSBLJDGQ-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
c1cc2c(cc1NCCC1CCCCC1)CCC2	125022152	MNGBLGTWEIQMCZ-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CCCc1cccc([C@H](C[C@H](C)CC)NCC)c1	131576703	ZEBPKOJRRJRHEP-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CC(C)NC[C@H](C)[C@@H](C)c1ccc(C(C)C)cc1	133057555	SLPFZSDNPWNSME-LSDHHAIUSA-N	247.426	4.548	0	10	BJAE	
CC[C@H]1CC[C@@H](N[C@@H](C)C2CCCCCC2)C1	149903197	GTVJAXADGBXNEB-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
CC(C)NC[C@@H](C1CCCCCC1)C(C)(C)C	162361303	VKJJVSLXPJXLPU-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C[C@H](C)CC	162416805	RNBAKKCWJKHNOF-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@H](C)C(C)(C)C)CC1	168763710	BTYRUMXFTLAVAI-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1C[C@@H](C)CC[C@@H]1C	221668882	PURZUDZREBYWEM-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC[C@@H](N)C1	227157368	QYJOZEQEXMCUDJ-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H](CCC(C)C)c1ccsc1C	227786109	UHNTZDNWCSGWRS-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CCCCn1ccc2c(Cl)cc(Cl)cc21	233036461	OMYVVFAUSNWQLZ-UHFFFAOYSA-N	242.149	4.748	0	10	BJAE	
Clc1ccc2c(c1)[C@@H](C1CCCCCC1)CN2	236069035	NXSRWLNSNPIRPJ-CQSZACIVSA-N	249.785	4.820	0	10	BJAE	
CCCN[C@H]([C@@H]1CCCC[C@H]1CC)C(C)(C)C	250384933	GREAVMQNTFIBJA-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCC[C@H](C3CC3)C2)C1	251920719	YLXVLSFXRVTEDZ-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	253289876	PHHSDSDZSIGXJF-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
CCSCc1cc2c(Cl)cccc2s1	257906403	BPHVMVOYYBNCNU-UHFFFAOYSA-N	242.796	4.808	0	10	BJAE	
Cc1ccc(NCCCC(C)(C)C)c(Cl)c1	300840822	JSDKYHRYGAPFRM-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)c1sccc1C	300845336	KGYFOEFBEPNINL-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)CC1CCCCCC1	302292113	GLCCTQIXEFAJOW-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc2ccn(CCCC(C)(C)C)c2c1	302334992	TVHQUPDCJYJETN-UHFFFAOYSA-N	229.367	4.776	0	10	BJAE	
CC(C)(C)CCCOc1ccc(Cl)c(F)c1	304140103	HAVQOYWOBRAFGB-UHFFFAOYSA-N	244.737	4.684	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H](CCC)CC(C)C	308037898	WODBXWZKOMWKRC-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](CCC)CC(C)C	308042233	CISLZZBNQMUTPA-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](c1ccccc1C)[C@H](CC)CC(C)C	308106060	VUDYXCMGUQUQDU-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
C[C@@H](CCC1CCCCC1)C[C@H]1CCCCN1	310250595	NXMDWSBBIPJIRQ-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H]1Nc1ccc(-c2ccccc2)cc1	310849463	CTRREYMMXYHZKB-DYVFJYSZSA-N	237.346	4.564	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)NCCCC(C)(C)C)c1	313264847	OMSCNZLTYISQEZ-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)CC)CCCC[C@@H]1C	318819243	VCFCVOYANGQORR-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
C[C@H](Nc1ccc(Cl)c(Cl)c1)C1CCC1	379078082	UANVZVZZSUWRAU-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
CCCNCC/C=C\C[C@H](C)C1CCCCC1	380062154	YJLQYWBNHUCZOS-YVACAVLKSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCCCCC(C)C)C1	383091942	CGVDJYGRRUGMFT-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
Cc1ccc(C)c(NCCCCCC(C)C)c1	383190383	WRNJBRGVHRNIHW-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CC(C)C1CCC(N[C@@H]2CC23CCCCC3)CC1	386975789	COBDLMULISEZGA-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
CC(C)NCCC(C)(C)C[C@@H]1CCC[C@@H](C)C1	393850382	WBOUNQYGVPEXIW-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CSc1sc2c(F)cccc2c1C(F)F	396239931	KREVKSRNLSUFEM-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)CCC2CC2)c(C)c1	398026874	HQSSJEQQVUWLAV-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@@H](C)C1CCC1	398614359	LOGNIOBEOYSLCJ-FVQBIDKESA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](N)CCC2CCC2)cc1	398802529	OGKLGQSTKFUNTO-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CCCCNC(C)(C)C	401615895	NLXHVKGREQJRGB-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1CC=CCC1	402145928	MITKSVUYWIWIAJ-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CC2	402362048	XVMZLJDNYSJHFS-WOYTXXSLSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](CCCC1CCC1)CCC1CCCC1	688359685	SYMFVLIZGRNKOR-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1ccccc1C1CCC1	696179181	UZOVZWQZRBMBIG-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCC(C)(C)CC1	696679616	UCTWMFUVDDETOL-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)CCC(C)(C)CC	696693273	VMURUGNUNUKFTQ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CCC)NCCC(C)(C)CC	696731382	AQXSLEZCAYFOAE-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)C[C@H]1CCC(C)(C)CC	696799029	INGHZRUUSLNVKA-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1cccc2ccccc12	697606721	SSNAITMLWYQKPD-QGZVFWFLSA-N	240.346	4.620	0	10	BJAE	
CC(C)=CCCC1(CN)CCC(C(C)C)CC1	697769538	FJHJMMRZETYUCI-UHFFFAOYSA-N	237.431	4.524	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)c1cccc(F)c1	697772505	RQZPEPLNOQIENL-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1[C@H]2CCCC[C@H]12	697775750	VWTOQVGOGDJULR-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]([C@@H]1CCCCC1(C)C)C(C)(C)CC	701183028	JZCYSJHITPKWOY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H](C)C1CCC1	703041756	YQVHCFDRCLJPOB-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C/C(=C\[C@H](C)CC(C)(C)C)C[C@H]1CCCCN1	709091241	XZAMQQFHORKKGI-XEZFYOOLSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CN[C@@H]1CCCCC[C@@H]1C)CC(C)(C)C	709129866	UHOLZNZTJFKJON-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC(C)(C)C)C1(C)CC1	709183162	DQVUURVFQOBMDD-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CCC1CCCCC1	709267333	XWFAZDYIEMBEJG-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
Cc1ccc(CC2CCCCC2)cc1Cl	709925876	WFXDACSCLPHUHA-UHFFFAOYSA-N	222.759	4.771	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@]12CCCC[C@@H]1C2	710368923	OEZAVGRMBVXSSP-LZWOXQAQSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C[C@@H](O)CCC=C(C)C)C(C)(C)C	711053447	NMKMWZBTNMJRBE-KBPBESRZSA-N	226.404	4.556	0	10	BJAE	
CC[C@@H](C[C@@H](N)CC1CCCCC1)C(C)(C)C	711110720	HUBWLPQAQOBGAR-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCCC(C)(C)CC)CC(C)C	711297317	ZMDAXYXHMJLFLI-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@@H](C)CC(C)(C)C	713177007	SZLMLGIWCRZSMT-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC(C)=C(C)CCC(C)(C)CCNC(C)C	718491585	FUOBLTOXOFOQLC-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@]12CCC[C@@H]1C2	718539754	LWRZJRWIRHEUJH-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C1[C@H]2CCC[C@H]12	718634483	OXTNCTAGFZMGPL-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CCC[C@@H](C(C)C)C1	718691168	LXWJJDYUFRLSHT-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC(C)=C(C)CCCc1cc(F)ccc1C	718787229	MYIVPHFQEOOLHX-UHFFFAOYSA-N	220.331	4.813	0	10	BJAE	
CC(C)CCC[C@]1(O)CCCCCC1(C)C	719260617	NJMBJPZZEZEISP-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
Cc1cccc(S[C@H](C)CC(C)C)c1	1458917994	AODLNDYLWGZJCZ-GFCCVEGCSA-N	208.370	4.522	0	10	BJAE	
CC[C@@H](Nc1cccc2cc[nH]c12)C1CCCC1	1657864862	AFSJGUWXBZMKJK-CQSZACIVSA-N	242.366	4.549	0	10	BJAE	
CCC(C)=CC[C@H](N)C[C@H](C)CC(C)(C)C	1900855328	RWKGAGCBOPEYKV-KBPBESRZSA-N	225.420	4.523	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1cc(F)ccc1Cl	1901628906	YLCTVNZUTDBGHY-ZJUUUORDSA-N	243.753	4.572	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)C(C)(C)C(C)(C)C	1901700927	IFJMIQUTWVPVAA-VXGBXAGGSA-N	226.404	4.556	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1CCCCCC1	1905455222	YNSDDJXRXOHOQD-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC=CC[C@H](CCC)c1ccccc1O	1911933798	HURZHIJFONLHBO-ZDUSSCGKSA-N	218.340	4.632	0	10	BJAE	
C[C@H](C=C1CCC[C@H]1[C@H]1CCCCN1)C(C)(C)C	1912060975	RUKUIJPNMMWLPC-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
C[C@@H]([C@@H](O)CCC=Cc1ccccc1)C(C)(C)C	1912123107	XHGCTBRXSISFLN-HOCLYGCPSA-N	246.394	4.523	0	10	BJAE	
C=CC=CCC[C@@H](NCC)c1ccc(Cl)cc1	1912128414	AUELBAVSODOFQC-OAHLLOKOSA-N	249.785	4.513	0	10	BJAE	
CCCCC1(CNCCC)CC2(CCCC2)C1	1912565690	XRHADAHXZIZMGX-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCC2(CCCCC2)C1	1915855979	VTFHLQZQGIXITO-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCCCC[C@](C)(O)C1CCCCCC1	1919963486	YSWAWANJJZAVIY-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CCCc1ccccc1	1920206295	LRVDQURXGKAIGF-NVXWUHKLSA-N	247.426	4.553	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC[C@H]2CC2(C)C)CC1	1921548285	FMINPSDRYNUGCY-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)[C@@H](C)C1CCCCC1	1924123693	FANYKYUHHXJJIK-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
O=C(CCC1CCCC1)C[C@@H]1C=CCCCC1	1925765333	NTQBSCGXVPLKPX-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CNCC1(C[C@@H]2C=CCCCC2)CCCCCC1	1925803225	QTHPWGCPMFZDJN-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1C=CCCCC1	1925919375	CZDSDUBTVMAEME-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCc1ccc(CC)c([C@@H](N)CC(CC)CC)c1	1926390925	VTZZTEZITZBHGL-KRWDZBQOSA-N	247.426	4.638	0	10	BJAE	
FC1CCC(CC[C@H]2C=CCCC2)CC1	1932603376	DIBHTFYLJTZEGS-HSBZDZAISA-N	210.336	4.651	0	10	BJAE	
CCCCC[C@@](C)(O)CC1(C)CCCCC1	1935622560	IEPVJEIDBULWCT-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1csc(CC)c1	1936768196	BFJPSBLOPARLFC-LLVKDONJSA-N	238.396	4.710	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)CC1CCCC1	1940795118	FGZIIPWSQPMDLH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@@H](CCC[C@@H]1CC1(C)C)NCC	1940876836	NKJDEKLXFAJCSK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](N)CCC[C@@H]1CC1(C)C	1940877273	PMTJLMYBJIVGNE-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(=C[C@H](C)CC(C)(C)C)c1ccc(N)cc1	1940968100	RUVOLGVDIWGREC-LBPRGKRZSA-N	231.383	4.744	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@H](CCC)C(C)C	1941262249	BELJWSMVGJHOHH-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CC1(C)CCC1)NCC	1941263008	LMYREMYYICUKFY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)C1([C@H](O)CCCCCC2CC2)CCC1	1941572551	BTPUQMHTIISMOP-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1C=CCCC1	1947574691	BQNHSXABNVXEJG-CQSZACIVSA-N	229.367	4.578	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)N[C@H]1C=CCCCCC1	1948323752	RMGDCRCRUWTRST-XHSDSOJGSA-N	237.431	4.536	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)NCCCCCC1CC1	1948327974	RJJPJIKFDUCZMY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)CC1CCC=CCC1	1948334082	WQZJPSVLNOUHCQ-ZBFHGGJFSA-N	238.415	4.556	0	10	BJAE	
CCC1(C[C@]2(N)CCCC[C@@H]2C(C)C)CCC1	1948981354	QKJGVULPLSCCCE-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CN(C)C[C@@H](C)C1CCCCC1	1964258286	HMCPTGGMYMXSQQ-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CC[C@H](CNC2CCC3(CCC3)CC2)C1	1965921576	SLVZMIVARBKJMJ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1OCC1CC(C2CCC2)C1	1968269816	FYPNMVKPZBIHFQ-UHFFFAOYSA-N	244.378	4.509	0	10	BJAE	
Cc1cccc(OC[C@@H]2CCCC3(CC3)C2)c1C	1968365493	RVXFFBFSDVFPCY-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
CCCC[C@@H](CC)CN(C)C1CCC(C)CC1	1968747916	OFAGPQBPYZQHLP-HWOWSKLDSA-N	239.447	4.713	0	10	BJAE	
CCC1CCC(CN[C@H](C)C(CC)CC)CC1	1969176663	IWJYEOMVKGSVGP-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CC[C@H](O)c1cccc(Cl)c1	1980679491	ASASZOKVQYJVIC-RISCZKNCSA-N	240.774	4.590	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H](C)C1(C)CCC1	1981372262	SNQUYEQAHFVYBE-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
C/C=C/CCCC(=O)C1CCC(C)(C)CC1	1984591423	OVPJBHMFWGFQOK-SNAWJCMRSA-N	222.372	4.518	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CCCC[C@H]1CC	1984592467	CNLUTHQTKJOVQA-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H]1CC[C@H](C)CC1	1989772071	KLMRSTZAJXVNIY-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
C[C@H](C[C@@](C)(O)C1(C)CCCCC1)C(C)(C)C	1995991934	SYPTVDOWEDIUOT-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CCCC(=O)CC1CCCCC1)C(F)F	1996109164	NCGZVPYPEAOMKY-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)C1=CCCCCCC1	1996610759	MBOIKPDIWYZKIQ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCCC2(CCC2)C1)C(C)(C)C	1997041335	AMZHYMHUELAVGF-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1C(C)=CCC[C@@H]1C	2000385107	OEYYZDLVTMHTQN-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C(C)C)C1(CCC)CCC1	2000387613	LYIIDDOTWFDFJE-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CCCC1CC1	2000390951	SIBNCANFOUQQKE-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@](C)(CCCC1(C)CC1)CNCC	2000507160	DQKBXXUWTWPVCB-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC(C)(CC)C(=O)CC1[C@@H]2CCCCC[C@@H]12	2002219191	MKPFKHLPDRGYLD-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@@](C)(N)[C@H](C)C(C)C)CC1	2002920473	FBCZYDHPEHGOEU-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCC[C@H]1NC1CCCCCCCC1	2003100862	SEEDTXWYMOSHRT-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H]1CCCCCCC[C@H]1O	2003116421	IPQATNXDOAIAEJ-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@@]1(C)C=CCC1	2003328868	GWUUXWBRZJEPFU-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
Clc1cccc(NC2C3CCCC2CCC3)c1	2003356763	WGZFRNMQBGCUCS-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
CC(C)=CC[C@@]1(N)CCC[C@H](C(C)(C)C)CC1	2004227236	RQBKOOUZMBGBIN-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC[C@H]2CC[C@@H]21	2004802099	MYZRFEYLQWEHIS-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)[C@](O)(CCCCCC(C)C)CCC1	2006966128	STFMHDQHJFKUOP-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](Nc1ccc(CF)cc1)C1CCCC1	2007028819	XPBYEDOWHWYACH-HNNXBMFYSA-N	235.346	4.537	0	10	BJAE	
CCN[C@@H](CC(C)C)C1(C)CCC(C)(C)CC1	2007697636	PVQDBPRGNBKHSM-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H]1CCC(C)(C)CCC1=O	2009403551	DBQNFLAZKADGRG-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CC[C@H](N)[C@@H](C[C@H](C)CC(C)(C)C)CC1	2009419017	HFQBFGBNLVGZFZ-XQLPTFJDSA-N	239.447	4.602	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H](CCC)CC(C)C	2009619480	LUQCKNBIPVJPDM-DODUIYEKSA-N	239.447	4.783	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](CC)CC1)c1cccs1	2010724973	FPGFUJHWRBHQKN-WFASDCNBSA-N	249.423	4.535	0	10	BJAE	
C=C=CCC[C@H](NCCC)C(CCC)CCC	2010977795	RNAYSBZYOQEYKN-INIZCTEOSA-N	237.431	4.692	0	10	BJAE	
CC/C=C\CN[C@H]1CCC[C@@H](C(C)(C)C)CC1	2011037081	SVFJBGHRLQEEJV-WJNHHXLDSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@H]1CCCC[C@@H]1C	2011182692	FZUBNXNEJHTVHK-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCCCCC12CC2)C(C)(C)C	2011278312	RVYNXEPOYFREBS-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011977701	XMBKKLGTOLNLKP-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCC(=O)CC12CCC(CC1)CC2	2012802301	GWTAUIFQJJJDBT-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@H](C)CC(C)(C)C	2013269957	DGBNZQIBPLHGHP-GDBMZVCRSA-N	241.463	4.993	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1C=CCCCCC1	2013320214	SWAWJLWRXGZWAS-HOTGVXAUSA-N	237.431	4.680	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(N)C1(C)CCCC1	2014341012	VHPSTVPZMCZQFZ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)[C@@H]1CCC1(C)C	2014880544	PCIMLWBUMHFELU-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CC(C(C)C)C(C)C	2015275351	PGJQWSXIMYLQER-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@@H](O)C(C)(C)C(C)C)C(C)C	2015335374	SIHUYLGDFZARQE-OAHLLOKOSA-N	242.447	4.738	0	10	BJAE	
CCC[C@]1(CCC(C(C)C)C(C)C)CCCN1	2015356168	FCOUYNSEGWCSLL-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)C1CC2(CCCCC2)C1	2015373646	CSUDNSLEQWHJPF-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccc(C)cc1C	2016145751	QANJNLGCRJUMJK-HNNXBMFYSA-N	231.383	4.850	0	10	BJAE	
CCCCCC[C@H](C[C@]1(C)C[C@H]1C)NCCC	2016462402	ZIQYJAUKDIYPNB-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@@H](C)[C@H](C)C1	2018139316	QNAXXGUKJXTJFN-LVQVYYBASA-N	239.447	4.760	0	10	BJAE	
CCC1CCC(CN(C)CC[C@@H](C)CC)CC1	2019465863	WUJXGPIPMBPRCQ-FHERZECASA-N	239.447	4.571	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H]1CCCCC1(C)C	2020974953	WDCYHUXCNIEHKN-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](N)C[C@H]1C[C@@H]1C1CCCCCC1	2022490301	RQWZOBWNUJMQIC-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@H]1C[C@H]1CCC	2022503415	XXIWNFQFELYTIG-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CN(CC)CCCCC(C)(F)F	2023439123	VNZRJBGVQXPBNZ-UHFFFAOYSA-N	249.389	4.570	0	10	BJAE	
CCCCCC[C@H]1CC(C)(C)C[C@H]1NCCC	2023611729	LDIVXJFLUXSAHY-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C(=O)C[C@H]1CCCC(C)(C)C1)C(C)C	2024101674	MHWZSUYYJDOQQB-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCC1(F)CCC1	2026146306	SHGTUNDOXGANEJ-ZIAGYGMSSA-N	243.410	4.593	0	10	BJAE	
CC[C@H](C)Cc1csc([C@H]2CCCC23CC3)n1	2026528012	ZJKPBCBSIURGRH-WCQYABFASA-N	249.423	4.779	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2CCC[C@@H]2C)CC=CCC1	2032500613	GDPBLXBBDFYIDV-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@](N)(CCC1CCCC1)C2	2036659329	BHLRNGUXJVHGKT-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)N[C@H]1CCC2(CCCC2)C1	2036769998	AAJTXLAWRAZZCF-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@@H]2C=CCCCC2)C1	2037272906	IHIKHMUJJVMKCA-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](NC[C@H]1C=CCCC1)C1CCC(C)(C)CC1	2040636784	VICPAEDRCFOECY-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@@H](C)C1CCC(C)CC1)c1ccco1	2040643104	BQRXUFOWEPWPTO-SHWKFHJASA-N	249.398	4.535	0	10	BJAE	
CC(C)[C@@H](N[C@H]1CCCC2(CCC2)C1)C1CCC1	2041288634	AXVKYQOBJWNALV-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)C2CC3(CCC3)C2)C1	2043002267	WYFUMWKDXWJUPO-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCCCN(CC2CCC=CCC2)C1	2045315435	UJFIFEZFIIRTPH-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)C[C@H]1CCC=CCCC1	2045315769	XKBQYCCJMLEPDA-RRFJBIMHSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CCC[C@H]2C2CCCCC2)C1	2045523366	XTUXVLZKXUISFS-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNCC2(C)CC=CC2)CC1	2047729063	MSMLNLPLFQDSGN-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCC1)CC1(C)CCCC1	2049792801	IQIASDSQIGMERG-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](N)CC1CCC2(CC1)CC2	2049860239	SCFDXNZQCCUUQS-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)[C@]1(C)C=CCC1	2050006295	MCEWXEVNAWXLBG-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H](O)c2ccccc2C)C1	2050440828	ITRLZUZZTOOZOH-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1CCCCC12CC2	2053325446	IJBUHFJJLGLECP-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)C1CC(C(=O)[C@@H]2CCCCC23CC3)C1	2053359377	NDPGWYMAJOEPDK-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
CCCc1cccc([C@H]2CC(=O)C[C@@H](CC)C2)c1	2055138949	PXVLLOVRWUIJLR-XJKSGUPXSA-N	244.378	4.502	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1N[C@H]1CCCC[C@H]1C(C)(C)C	2055562218	CTLHOSPBYLBQIN-WCVJEAGWSA-N	249.442	4.536	0	10	BJAE	
CC[C@@H](Nc1ccc(CF)cc1)C1CCCCC1	2055672716	WQZYRDWTWMOBMP-MRXNPFEDSA-N	249.373	4.927	0	10	BJAE	
CN[C@@H]1CC[C@H](C)CC[C@@H]1C[C@@H]1C=CCCCC1	2058986277	AKHKSSYJZWTRRV-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@@H]1CCC12CCC2	2059176288	YOMGZYZZCKKUIX-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@](C)(O)CCC2(C)CC2)cc1	2059177120	GYZDEDCVZFEGGQ-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC1(CC[C@H](N)c2ccccc2C(C)(C)C)CC1	2059178855	WIJVWTOPDIDSLE-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1CC(CC2CC2)C1	2059254159	XNYUYZRPFXFUCH-LHMSZOIRSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H]1NCCC12CC1(CCCCCC1)C2	2059473823	VIYOIAAWTGRCCQ-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C)CC1)C1(C)CC(C)C1	2060920431	DVHUCMLUJNDDPO-CGBMDKKTSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@@H]1C[C@H]1CC	2061147280	NCAVJBDQDHIZDW-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC1CC(=C2CC2)C1	2061703429	FHOGRZFYEHPCHZ-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
CCN[C@@H]1CC[C@@](C)(CC23CCC(CC2)CC3)C1	2065339786	PDQNVLMNYPKZBS-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)CC12CCC(CC1)CC2	2065340354	VPOBDXPXKKUZQA-ODZFXCKXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)CC12CCC(CC1)C2	2065340487	WQJBSQDHSQPKDP-DXCHVLGVSA-N	249.442	4.501	0	10	BJAE	
CCCCC(C)(C)NCC[C@H](C)c1ccccc1	2066384115	YWRDYKLGGZUDHS-HNNXBMFYSA-N	247.426	4.739	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)C[C@H]1CC12CCC2	2069183544	TYDLPCUVXWHSTG-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@@](O)(CC)c2cccc(C)c2)CCC1	2069284817	LCNBQENJPNXFBI-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCCC3(CC3)C2)CCC1	2069335885	UAQAQRSNOQDIAL-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C2(CC3CC3)CCC2)CC[C@H]1C	2069503171	GQIQWGBHNMBAOO-IPYPFGDCSA-N	248.410	4.598	0	10	BJAE	
CC1(CNC[C@]23CCC[C@H]2C3)CCCCCCC1	2070802083	WTWLPGULEGQMCE-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)C1(C(=O)CC[C@@H]2C[C@H]2C2CC2)CCC1	2071925662	HELPFDVDQQUZDL-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1([C@@H](N)CC2CC3(CCC3)C2)CCC1	2071935256	YPPGVLZZMGVIKZ-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](C)(NCCC2=CCCCC2)C1	2072616274	JWTWIZDSYZSFTI-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C[C@H]2CC[C@H](C)CC2)c1	2072670283	XEIKRIMCSVHUDC-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@]3(C)C[C@@H]32)CC1	2072805684	DYSYVWQBMPKZSK-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
C1=CCC2(CCCC2)N(CCC2CCCCC2)C1	2074887781	FTKNCBJEIUPBSZ-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CN([C@H]1CCC2(CCCCC2)C1)[C@H]1C=CCCC1	2075084124	ITVLWLGVWWQLAO-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N(C)[C@H]2C=CCCCC2)C1	2075404697	CJIAKKYLBZWVBT-NCOADZHNSA-N	249.442	4.632	0	10	BJAE	
CC1(C)CCC[C@H]1Nc1ccccc1C1CCC1	2077263930	GTEDBBBPGZHUCB-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccccc2C2CC2)C[C@H]1C	2077264723	YXZXVUMIIAXSIF-UMVBOHGHSA-N	243.394	4.801	0	10	BJAE	
CCCCCc1ccc([C@@H](N)CCC2(C)CC2)o1	2077979927	XSWQQYHLXKCLAQ-AWEZNQCLSA-N	249.398	4.592	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CNc1ccccc1C(C)(C)C	2079618088	CZUKVQFJADQRJU-KGLIPLIRSA-N	245.410	4.688	0	10	BJAE	
CC1(NC[C@H]2C[C@@H]2C2CCCC2)CCCCCC1	2079638370	CBCFMPMRLMCYIL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]2C2CCCCC2)C1	2079864355	MHXSDWINTIBLOV-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2C[C@H]2C2CCCCC2)C(=O)C1	2079867622	VLDLZJOXWPAWEF-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)C[C@@H](C)CCC1=C(C)C	2079871666	UZPCBMRXCOCVPD-KLZNWCGWSA-N	249.442	4.667	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CC[C@@H](C)C[C@@H]1C	2081947409	SBUWAGGSUBLDSX-TYNCELHUSA-N	249.373	4.625	0	10	BJAE	
CCC(CC)C[C@@H](NC)c1cc(C)cc(C)c1C	2082918584	JOKYVVQXLHMZLK-QGZVFWFLSA-N	247.426	4.699	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)CCC3(CCC3)C2)C1	2082976435	QOYNSGSZEIODEH-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)(CN[C@@H]1CC(C)(C)C1(C)C)C1=CCCC1	2084357553	FUYSWLDEYJZCTB-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1cccc(CC)c1	2086042906	ALKHDGRFAVKKAH-YOEHRIQHSA-N	248.410	4.889	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CCCCC1CC1	2211122806	XMJFVHXFBQZJGB-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCC1([C@H](N)CCCCCCC2CC2)CCC1	2213578861	ASWSMDREBKJQPH-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC(C)C(C(=O)CC1(C)CC(C)(C)C1)C(C)C	2215438904	AFTDEZUSEYFJHD-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCC(N)(CC)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216761813	ONLLNLPNAMYFHH-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@]1(CN[C@H](C)CC)C=CCCC1	2217123943	CLWXRSWQGBMILE-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218349266	FWIAJQIQVCMSCW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@@H]1CC[C@@H]2C[C@@H]12	2218731593	NSXMSBDIXCHAQI-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC2(C)CC3(CCC3)C2)C1	2220980485	ZWYKXDIXXCNUSG-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CC1(C)CC(C)(C)C1	2221024328	AGRMQUXYONZWNJ-KKUMJFAQSA-N	249.442	4.523	0	10	BJAE	
CC1=CC[C@@](C)([C@H](O)C2=CCC(C)(C)CC2)CC1	2221613261	PRZWIHLRHXDDHR-NVXWUHKLSA-N	248.410	4.620	0	10	BJAE	
CC1=CC[C@H](CNC2C(C)(C)CCC2(C)C)CC1	2221665326	OCJYVWJVBPMDQQ-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@]2(C(=O)CCCCCCCC3CC3)C[C@H]12	2223140392	QIALPWHUGHEESW-FRFSOERESA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1(CNC2CCC2)CC1)C1CCCCC1	2223544015	AWYBZIDADDTKTJ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)c1ccc2occc2c1	2224133485	XAPKUEGCGHYPML-DOMZBBRYSA-N	245.366	4.520	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)c1ccc2occc2c1	2224133486	XAPKUEGCGHYPML-IUODEOHRSA-N	245.366	4.520	0	10	BJAE	
CCCCc1ccc([C@H](CCC)NCC)s1	2242599072	PMZHTEPFDMXNQM-ZDUSSCGKSA-N	239.428	4.541	0	10	BJAE	
CC(C)=C(C)CCc1cc(C)c(F)c(C)c1	2242615859	DZQLTLIUKALDBA-UHFFFAOYSA-N	220.331	4.731	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H](CC)CCC	2244800670	HROSREYUOMRNTR-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CC[C@](C)(CN)CC[C@H](C)CCCC(C)C	2244835820	GRCXQTCLSDAQMY-CABCVRRESA-N	227.436	4.604	0	10	BJAE	
CCC[C@@H](N)CCC[C@H](C)CCCC(C)C	2244845021	KFFMTKNUVIVNAN-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1(C)CC(C)C1)NC	2246586545	RHFDLHOGJFBAOT-FYRZTWFESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)CCN(C)CC[C@H]1CCC[C@H](C)C1	2246678265	HUSGLALYYIACLM-HRCADAONSA-N	239.447	4.571	0	10	BJAE	
CC[C@](O)(CC[C@H]1CCC[C@@H](C)C1)C1CCC1	2246686994	KWYJKZFFGYHIAC-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)c2csc(C3CC3)c2)C1	2248070924	VQNTVCJDVDLIDP-LLVKDONJSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H]1CC[C@H](C)C1)NCC	2250355627	MAEGEXKAHFIWEW-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)C1=CCCCCCC1	2250358160	KKUZBJFGDSXNHN-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H](CC)CCC	2250361257	LBKGQLTUQJQGOZ-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCN(CC[C@H](C)CCCC(C)C)C1	2250466085	AAZFPNLQWACCTQ-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
CCCC(N)(CCC)C[C@]12CCCC[C@H]1CC2	2251212702	SRHGIIRSMFLRIM-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC1CC(C)(C[C@@H](N)c2ccccc2C(C)C)C1	2253656835	VIEGRRRCDYVNQX-BLDCVEFLSA-N	245.410	4.636	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@H]1CCCCC12CC2)NC	2253817458	KTCNLKNUUFFNNV-PIGHNIFASA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@@H](N)CC[C@@H]2CCCCC23CC3)CC1	2253839128	LZDXAQOKDDWIMD-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCCCC[C@@H]1C[C@@H]1C)c1ccco1	2254526655	BGUYWBWLPJDIBI-RRFJBIMHSA-N	249.398	4.537	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CCCC[C@@H]2C[C@@H]2C)CC1	2254544956	RVRJWCCJQCEMMI-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H]1[C@H](CC2=CCCCC2)CCC[C@H]1C	2255090556	AUEGMYHJISJADM-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
NCC1(CC[C@@H]2CCCC23CC3)CCCCCC1	2255261425	OCZICIMDTWDAFX-HNNXBMFYSA-N	249.442	4.646	0	10	BJAE	
CC1(C)CC(C[C@@H](N)CC[C@H]2CCCC23CC3)C1	2255288671	QVUPEHVLWXSHIP-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C[C@H]1CCCC12CC2	2255340155	YXEDSJLKJYFTFC-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CCC3CC2C3)c1	2257905947	CYVORKJIYLVCAD-SEEARECTSA-N	243.394	4.585	0	10	BJAE	
CC1CC2(C1)CC(C[C@@H](N)C1(C)CCCCC1)C2	2259538129	DOQNDBZIVRDBTH-UKEPKTAJSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CC(N)(C[C@]23CCCC[C@H]2CC3)C1	2260677002	CBXITNXROFRMGE-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1cccc(CC2CC2)c1	2261039715	KHGRLIMLWGWJBY-CYBMUJFWSA-N	244.378	4.504	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@]12CCC[C@@H]1CC2	2298685382	KISGYHOHYHDYDK-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](C)NC(CC1CC1)CC1CC1	2298858904	SAOZHACBRXTQRU-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H](N)CCC1CCCCC1	2298920955	QMYUSSBKDRAVDU-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)O[C@](C)(O)CCCC(C)C	2300473667	ARSSXTOGTANQGB-GJZGRUSLSA-N	244.419	4.507	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC1CCC=CCC1	2300505650	OLSBTIUHWXHEDK-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@]12CCC[C@H]1CC2	2300506120	VDECWSWREZKAQC-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCCC[C@@H]1C[C@@H]1C	2300507997	NZJOEDKPIPIQHT-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@H](CCC(CC)CC)C1	2300683434	JPSGKWANQMSCDM-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCC(C)=CC[C@@H]1[C@H](O)C(C)(C)CCC1(C)C	2300864184	YCHDEAFGYXHCNN-KGLIPLIRSA-N	238.415	4.556	0	10	BJAE	
CC(=CCC(=O)[C@]12CC[C@@H]1C2)CCCC(C)C	2300923841	MWVUVQGTLJBDEJ-ZBFHGGJFSA-N	234.383	4.518	0	10	BJAE	
Cc1ccc(OCC2CCCCCC2)c(C)c1	2301148590	WWAKYLJOPZWHNQ-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CCSc1ccccc1N[C@H]1CC(C)(C)[C@@H]1C	2302138837	ILSIARXUVIEUIN-YPMHNXCESA-N	249.423	4.645	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)CCCC1=CCCCC1	2302342440	IPXICCNFBFUEQC-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CCCC1=CCCCC1	2302347882	WTZMLZJLNOFYPQ-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
N[C@H]1CCC[C@H]1CCCCCCCCC1CC1	2302503331	IAEZRZLPFNNMRT-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@@H](O)CCCCC2CC2)CCC1	2302570785	CWVWOFDWLVNJEZ-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCCCC(=O)CCC[C@@H]1C[C@@H]1C	2302608771	BDWGCEQSQBHFMV-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(C[C@@H]2CCC(C)(C)C2)CC1	2302893461	VORROSPFZLGPRF-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCNC[C@@]1(CCC(C)C)CCC(C)=C(C)C1	2303481032	RAOHQFHBLJWBAY-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](CC1CC1)C1CC1	2303664064	ZTEOKZGUMGTLAO-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)CCCC2CC2)C1	2304437098	PHILXGMUCRTRNR-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC(O)(C1CCC1)C1CCC1	2307846388	UHHBKISNIZIAAL-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1cccc(C)c1C	2307846922	WEOMEDUUULXZSV-GDBMZVCRSA-N	234.383	4.553	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)[C@@]12CCCC[C@@H]1CC2	2307898904	NUZBRFVGNNFCRZ-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@H](C)C1CCC1	2307908351	GTYINRKVEAZFBI-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	2308399653	CSBBVRCOWWQGTH-LUKYLMHMSA-N	249.442	4.514	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@@H]1CCC[C@@H]2C[C@@H]21	2308937922	ZANDEOCMPXESJB-JJXSEGSLSA-N	246.394	4.518	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@@H]1c2ccccc2NC[C@H]1C	2311571546	JVXLFXKLGGGQDY-VRKREXBASA-N	243.394	4.514	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)[C@@H]1C[C@H]1C1CCC1	2313034315	QPQFAMGWFSHIHC-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
C[C@H](NC(CC1CC1)CC1CC1)C1CCCCC1	2313595013	VSCYXWXUMNXQDB-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCc1cc([C@H](N)CC2(C)CCCC2)ccc1C	2314710400	FUTDECOIAJCRON-MRXNPFEDSA-N	245.410	4.528	0	10	BJAE	
CCc1cc([C@H](O)CC2CCCCC2)ccc1C	2314711040	JDFHOKDQMDJTIK-QGZVFWFLSA-N	246.394	4.561	0	10	BJAE	
CCc1cc(C(=O)CC[C@H]2CC2(C)C)ccc1C	2314712415	PLNBDKRJFHIULZ-HNNXBMFYSA-N	244.378	4.566	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316790338	IGTIHACVFMWBDL-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@H]1CC=CCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316790578	JKNIGTGEZXJMRU-VGWMRTNUSA-N	246.394	4.518	0	10	BJAE	
C[C@]1(C2CCC2)CCCN1CC1CCCCCC1	2316878676	AQNBSNMTPYKVNQ-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
N[C@@]1(CC2CCCCCC2)CCCC[C@H]1C1CC1	2316881218	OACSILGWOHQJAJ-DLBZAZTESA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1=O	2317007561	ACHQVMYCYXRQIG-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@@]12CCCC[C@@H]1C2	2318875361	WUGCLRBIPVGVRO-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)C1)[C@@H](O)c1ccccc1	2319023522	FPZKXELOHNFCKP-IIAWOOMASA-N	246.394	4.573	0	10	BJAE	
CC1(C)CC[C@@H](CC2(CN)CC3(CCCC3)C2)C1	2319069089	WFEIDDJNVRSQMX-CQSZACIVSA-N	249.442	4.502	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H]2CCC(C)=C(C)C2)C1	2320411598	KOPQXCDKIIBXOO-UQPPLGOBSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@@H](N)c1cccc(C2CCC2)c1	2320649857	GTOWKDJBVTXTBK-IIYDPXPESA-N	245.410	4.636	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@@H](CC1CC1)C1CC1	2320776284	OAIDTRVYUYSAIC-IRXDYDNUSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(F)cc1F	20520090	JUVFZFYPXXPHGV-NSHDSACASA-N	241.325	4.736	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)CCC(C)C)c1	21516095	HVVPDKKOWIJPKS-AWEZNQCLSA-N	219.372	4.540	0	10	BJAE	
CCCCC[C@H](C)Nc1ccccc1SC	36957109	YPZVBHMXZCVIST-LBPRGKRZSA-N	237.412	4.789	0	10	BJAE	
CC(C)CC[C@@H](C)NC(C)(C)CC(C)(C)C	37100733	GWIDBQHPHFSBII-CYBMUJFWSA-N	227.436	4.616	0	10	BJAE	
CCCCN(C1CCCCC1)C1CCCCC1	39250317	KDHMYEMCPCYYBF-UHFFFAOYSA-N	237.431	4.754	0	10	BJAE	
CC(=O)c1cc(C)c(-c2ccc(C)cc2C)s1	42732130	AEQVEVZFMOXONK-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(F)c(Cl)c1	68986018	SUQWTGKHHRWHMG-JTQLQIEISA-N	243.753	4.860	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc2c(c1)CCC2	69370503	XXHXXYDKXDTCBQ-HNNXBMFYSA-N	231.383	4.556	0	10	BJAE	
Cc1cccc(Cl)c1-c1c(F)cccc1F	85389163	FPQJRFPBWTYDSQ-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CCCCCCN[C@@H]1CCC[C@@H](C(C)C)CC1	86923290	BWOQWTHDQMSUDM-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](N)c1cc2cccc([C@H](C)CC)c2o1	88074883	RCZWEOMAWOTGSM-RISCZKNCSA-N	245.366	4.746	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCCCC2(C)C)C1	94323399	CTNNSGFZEWQVHQ-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1Cc2ccccc2C1=O	103930272	RFXWMXVHNQNXJJ-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CCCCc1ccc([C@H](C)C[C@H]2O[C@H]2CC)cc1	107479131	KUPALZNTRSXNFL-XOKHGSTOSA-N	246.394	4.700	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1ccc(C(C)C)cc1	109718158	WZYISFLBIVDGMO-XJKSGUPXSA-N	233.399	4.507	0	10	BJAE	
CC1(C)CCC(c2nc(C3CC3)cs2)CC1	131976635	ATAXBVDQSPYXCB-UHFFFAOYSA-N	235.396	4.704	0	10	BJAE	
CCN[C@H](CC(CC)CC)C1CCCCCC1	148406293	BZWGCOHLIVGVQP-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](NCC)c1cccc2ccsc12	163303420	VAYWSVGDBWISIU-AWEZNQCLSA-N	247.407	4.742	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCCC(C)C)CC1	165633841	UKRIHGDFQQUHEY-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](c1cc2ccccc2s1)C(C)C	166687322	IYRZMUZCNVLLPC-OAHLLOKOSA-N	247.407	4.598	0	10	BJAE	
CCN[C@@H](CC(C)C)c1ccccc1C(C)(C)C	168097422	OZUKAQJRUJBPRF-INIZCTEOSA-N	247.426	4.681	0	10	BJAE	
CCCc1[nH]c2ccccc2c1-c1ccccc1	196287199	ITKCBDXRTCSQAW-UHFFFAOYSA-N	235.330	4.787	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cccc(Cl)c1C	220551273	JARRGQLUKXSOHR-HZMBPMFUSA-N	240.774	4.508	0	10	BJAE	
CC[C@H]1[C@H](N)[C@@H]2CCCCCCCCCC[C@@H]12	225168701	JOAIQQWJTAGQJG-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)C1CCCC1	225970960	ISYGPEYXGBEPHH-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)(C)C)[C@@H](C)CC	228814848	SIOKGOJSTLUHRF-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(Cl)cc([C@@H](O)CCC(C)(C)C)c1	229340976	ZQKGBQUSVLJLBC-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CC(C)CCC[C@@]1(N)CCC[C@H](CC(C)C)C1	230789645	JWAUWFDNAAPIMT-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@H](C(C)C)C2)c1C	230986387	JCEZPVYRWJYBNN-JKSUJKDBSA-N	245.410	4.930	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C1(C)CCCCC1	233566181	LEMSNQXQALTUME-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H](c2cccc3c2CCCN3)CC[C@H]1C	235379044	NXOWODOAWCCFJV-RDBSUJKOSA-N	243.394	4.584	0	10	BJAE	
COc1ccc(-c2ccc(C=C(C)C)s2)cc1	248190596	KRWHYSCNTHBEQI-UHFFFAOYSA-N	244.359	4.847	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2C[C@H](CC)CCC2=O)C1	252616502	ZXCOMPIFBDSGSY-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@@H]1CCCC[C@H]1CC	252903157	NYZZSZIVCQGWFG-BMFZPTHFSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H]1CCC[C@H](C)C1	300143070	VURGWTQFVPFNDI-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(C(C)C)CCCCCN1	302338430	LSJHRIISMKQWMI-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H](CCCC(C)(C)C)CC(C)C	305911499	IMVVPSGMULDWJM-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CCCN[C@H](CCCCC1CCCC1)C(C)C	305914732	GMJBGVQAAYUGCC-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCc1cc2sccc2c(SC)c1Cl	307715661	ILTGRIAWCCNQRX-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](NC)c1cccc(C)c1C	308073066	SQPMKAYEBHTYJH-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CC(C)C[C@@H](C)[C@]1(O)CCCCC12CCCC2	310115431	CDJHPRZQNAOOND-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
C1CCC(CN[C@@H]2CCCC23CCCCC3)CC1	313016205	OGGGMBGDGBVIQX-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H](NCCCC(C)(C)C)c1ccccc1	313267576	UJOGHSUCGBHDRR-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
CC[C@@H]1CCC[C@](CC=C(C)C)(CNC2CC2)C1	317724787	KELKHCBQGMYXMN-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CCC)CCC[C@@H](C)C1	317818483	YPPYOEUGAFUNHI-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCCCCC1(CNC2CC2)CCC(C)CC1	317922852	OQMHKSWCWYEMQR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](c1ccccc1C)[C@@H](C)[C@H](C)CC	318861477	JPYUESLHDDMNSX-KMFMINBZSA-N	247.426	4.718	0	10	BJAE	
CCCc1ccccc1N[C@H](CC)C1CCC1	322287306	PSDBHGHXNVWVHZ-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
CCC[C@H](N[C@H](C)c1cc(C)oc1C)C1CCC1	322670949	HQPOYIOWSJRFTA-WBMJQRKESA-N	249.398	4.516	0	10	BJAE	
CCC[C@@H](N[C@H](CC)C1CCCC1)C1CCC1	325074333	WZCMPSDNVLVIFD-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CC/C(=C\C(C)(C)CC)c1ccccc1O	383828501	YLBZKCUEXUMEFR-VAWYXSNFSA-N	218.340	4.622	0	10	BJAE	
CCN[C@H](C)[C@@H](CC)CC1CCC(C)(C)CC1	383975354	ZEHNGEROLBEHRA-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)[C@H](O)c1ccc2ccccc2c1C	384343114	CLWLPVKZTQOXSV-PXAZEXFGSA-N	242.362	4.618	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C1CCCCCC1	384401592	CRKXCSDNQYKOFB-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H]1CCCC1(C)C	384582637	XNKZELFUDILFRS-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CC1(C)C(C(=O)CCC2=CCCCC2)C1(C)C	385668821	HGJVZYOZKAYLSC-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)Nc1cccc2ccsc12	386218820	JGKVHIWBYNAYAF-LBPRGKRZSA-N	233.380	4.892	0	10	BJAE	
C[C@H](Nc1cccc2ccsc12)C1CCC1	386275884	CPUDJJMHCWNWDY-JTQLQIEISA-N	231.364	4.502	0	10	BJAE	
CC(C)CCC(=O)c1ccc2sccc2c1	386422135	LRZBGHJSOPGLGD-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1csc(Cl)c1	393909438	MABYPNDOYKCTKM-MWLCHTKSSA-N	246.803	4.507	0	10	BJAE	
CCC[C@@](O)([C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)(C)C	395413088	IUDXTKOGHVWLIN-ORIJERBGSA-N	240.431	4.636	0	10	BJAE	
CCc1cc(C)c(C(F)F)c2ccsc12	396194238	BWSZIBLTRDNYHM-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
C[C@H](Nc1ccc(C(C)(C)C)cc1)[C@H]1CC1(C)C	397624343	MFKJJDZVCVFSRS-SWLSCSKDSA-N	245.410	4.831	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](CCC2CCC2)C1	398859653	RFKZCOLADNIKNO-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCNC[C@@H]1CC[C@@H](CC)C[C@H]1CC1=CCCC1	400526203	ALSFOOCLOOGWPC-PVAVHDDUSA-N	249.442	4.539	0	10	BJAE	
Clc1ccc(NCC2=CCCC2)cc1Cl	401168123	MHSIUHFLUIXUMZ-UHFFFAOYSA-N	242.149	4.516	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCC[C@@H]1C[C@@H]1CC=CCC1	402353171	NBCCRZRBWDXLRS-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CCCC2CCC2)C1	688354185	ROUWXMQNCGBXOB-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)c1cccc([C@H](O)C2CCCCC2)c1	691704474	ZMCALCUGRXJZLV-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CC[C@H](N[C@H]1CCCC2(CC2)C1)c1cccs1	695690942	QCGUHGUOPZKFFI-STQMWFEESA-N	249.423	4.512	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)c1ccccc1C	696220583	ZKVCBVCPUSUHRO-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1sccc1Cl	696560364	GPAQXSFSUVXMTL-JTQLQIEISA-N	246.803	4.651	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1CCC[C@H](C)C1	697256590	BJBMKIJDAVIGEI-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H]1C[C@H]1C(C)(C)C	699831385	IDCREYMVKUZSHP-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)[C@@H](N)C(CC)(CC)c1ccccc1	701155857	XCNOYRRPVXDVGK-OAHLLOKOSA-N	247.426	4.508	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(N)C1CCCCC1	704458818	HLOZFABKQLQDRE-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CCCC(C)(C)C)C1CCCC1	704904326	VDKVZUQSNRDVSO-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)CC(C)(C)C	704984476	REEHICVACKZNSA-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
Cc1cscc1[C@H](N)C[C@@H](C)CC(C)(C)C	709162916	ISVKKRZQHQJXHK-ZWNOBZJWSA-N	239.428	4.519	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCCC[C@H]1C1CC1	710136127	JQNZCUHBMCSYCI-DOTOQJQBSA-N	243.394	4.630	0	10	BJAE	
CCC[C@](O)(C[C@H](C)C(C)(C)C)[C@H]1CC1(C)C	710707543	PGZMNLDRYHLNQY-XEZPLFJOSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C[C@H](CCC(C)(C)C)NC)C(C)(C)C	711100430	YXAQCXALVKLXSX-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C[C@H](O)C1CCCCCC1)C(C)(C)C	711183950	YGRBCTZVIPPERR-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@@H]1CCc2ccccc2C1=O)C(C)(C)C	711206718	GXWBYSANDLZHMY-JSGCOSHPSA-N	244.378	4.504	0	10	BJAE	
CCCCC1CCC([C@H](O)CC(C)(C)C)CC1	713156678	ZRFUSWHLGYYHCW-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@H](CC(C)(C)CC)C1	713181571	DPNYRZYEWZLDNN-ILXRZTDVSA-N	239.447	4.604	0	10	BJAE	
CCNC[C@@H](CC(C)(C)CC)c1cccc(C)c1	713269100	RPCPUCMHDXVWAU-MRXNPFEDSA-N	247.426	4.514	0	10	BJAE	
CCCNC[C@]1(CC(C)(C)C)CCC[C@@H](C)C1	713298873	QRZQPBHRKOJELZ-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@@H](C(=O)CC(C)(C)C)c1ccccc1	713305469	WCUADZZUCGWENN-CZUORRHYSA-N	246.394	4.822	0	10	BJAE	
C=C/C=C\CCC1(CN)CCC(C(C)(C)C)CC1	713677023	FXJHYYDXABDLQB-SREVYHEPSA-N	249.442	4.690	0	10	BJAE	
C=C/C=C\CC[C@@H]1CCCC[C@H]1CNCC(C)C	713702511	AUAFHNAKGHCASM-DJAVDHGHSA-N	249.442	4.561	0	10	BJAE	
CC(C)CCCCCCNC[C@]1(C)CC1(C)C	717142312	CYNDJPQWNLKAQU-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(CN)(C2CC3(CCC3)C2)CC1	717580376	CFKNTIGJINXLTG-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@](O)(CC)CC1CCCCC1	720971524	WDPYPTQFFCYOKP-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CCC1(CC)CCC(NC2CCCCC2)CC1	1198942760	CATRXAXHWGZSET-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
CCc1cccc(NC[C@H]2C(C)=CCC[C@H]2C)c1	1199505961	POBKKKLHHVEQNM-PBHICJAKSA-N	243.394	4.653	0	10	BJAE	
Fc1cccc2c1CC[C@H]2Sc1ccccc1	1307257301	DRLAJLODTYOJHX-OAHLLOKOSA-N	244.334	4.605	0	10	BJAE	
CCC1(CC)CCC(NCC2=CCCCC2)CC1	1657448544	ZPDQUQJJKWIDPZ-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCCC(C)(C)C1	1664776353	VIQZBAIQHRMEKU-LSDHHAIUSA-N	237.431	4.680	0	10	BJAE	
CCC(C)=CCc1csc(C(F)F)c1	1887876894	AKTAWUGBDKFUDQ-UHFFFAOYSA-N	216.296	4.585	0	10	BJAE	
CC=CCC[C@]1(C)CCCCC1(F)F	1887877258	GFWNRFUAIZEMFG-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC1CCCCCC1	1901056014	SVAQSFHADPHESO-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H](C)[C@@H](C)C(C)C	1901628757	XSHKDDWFPJZHLJ-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1scc(C)c1C	1905380070	CREAXEINSGUPKH-OLZOCXBDSA-N	240.412	4.615	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1cc(C)c(C)s1	1905446659	ADEQSIWHXYDSLL-OLZOCXBDSA-N	239.428	4.581	0	10	BJAE	
C[C@H](CC1CCC1)N[C@]1(C)CCCCC1(C)C	1905842430	NWZPTPFASRLXQN-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@H]1CC[C@H](CC)CC1	1910794512	NYTKXQWQVDGIKY-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCNC[C@]1(C[C@H](C)C2CCCCC2)C=CCC1	1916354023	VQGJBHFQJGUIHQ-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CCC2(CCCC2)C1	1916435193	DBYGKGLRHWHQLE-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCC1CC([C@@H](N)c2ccc([C@H](C)CC)cc2)C1	1921203923	PCOSYMIPJRMYAQ-MIOCFURKSA-N	245.410	4.636	0	10	BJAE	
CCCNCC1(CCC(C)C)CC(CCC)C1	1921292925	UQRJIMSCJKTZLL-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)CC1(C)CCCCC1	1924089611	QGADWKYQGCQDNH-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1ccc(Cl)s1	1927981039	VDJLTOSFDJJTEN-BXKDBHETSA-N	246.803	4.507	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@H](CC(C)C)C(C)C	1936207685	ZZRXOWYVGGAKLE-UONOGXRCSA-N	226.404	4.556	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](C)(O)C(C(C)C)C(C)C	1940243100	JSNGDNVXBXUJEE-ZBFHGGJFSA-N	242.447	4.738	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)C1CCCCC1	1940874906	GSLKOCZLHOEEPK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)CC1CCCCC1	1940876231	LBIYCUAPVCQKAY-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](CC1(C)CCCCC1)NC	1941267989	ZEONGKFGOWPRQA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C[C@H](N)CCCCCC1CC1)C1CC1	1941598215	WUBJFDGULGGOIP-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943019036	DOQCMSSIUGPWNZ-XNISGKROSA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@]1(CNCCC)CCCC1(C)C	1944479946	GSFPJLSSVLTBQZ-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCC(C)(F)F)NCC	1947989465	YYAHKQWWQUGQGU-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H](CCC(F)(F)CC)[C@@H](C)CCC	1947994408	XDDIFEVKMRJLLE-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)(C)[C@@H](N)C1	1949654177	RGBIRIOFBHAUCQ-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@H]2CC[C@H](F)C2)cc1	1968276307	ZFSKSXILGWLDCS-JSGCOSHPSA-N	249.373	4.534	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](C)CCCC(C)C	1968309623	NOZVFCZZYUTUBL-UONOGXRCSA-N	227.436	4.616	0	10	BJAE	
Cc1cc(NCC2C[C@@H](C)C[C@H](C)C2)ccc1F	1968592220	UDSMPPQHIRTIPI-RYUDHWBXSA-N	249.373	4.618	0	10	BJAE	
CCCN(C[C@@H](C)CC(C)(C)C)C1CCCC1	1968778379	ALZKOOUKJPUVJV-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2C[C@@H]3CCCC[C@@H]3C2)C1	1973573410	OELIECOBNOQSHK-FICVDOATSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H]1CC[C@@H]1Nc1ccc(Cl)cc1	1977424010	UHSKWFUTQPMZEZ-RISCZKNCSA-N	237.774	4.577	0	10	BJAE	
CCC(CC)(CC)C(=O)CCCC(C)(F)F	1978450343	OESNRMPYFXUFPF-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CCC(C)(CC)C[C@H](O)c1ccccc1Cl	1980683167	ZSFCZTWZIYHROZ-ZDUSSCGKSA-N	240.774	4.590	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](C)CCC=C(C)C	1988794367	ISJGRARXBCXBKA-RRFJBIMHSA-N	225.420	4.536	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1CC[C@H](C)CC1	1989839996	ZWVVDSLQWNOTQZ-MQMHXKEQSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CCC)CCC1(CCC)CC1	1990632936	JGPNETSUNXPWRK-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@@H](C)CC)NC	1995258257	CDKJIXCAFRMSII-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(O)C1(C)CCCCC1	1995992270	WNWJCXRFASHIPB-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(O)C1CCC(C)CC1	1996547257	NIULFWKHKYWPML-GRAKBVBRSA-N	240.431	4.636	0	10	BJAE	
CC1CCC([C@](C)(O)CCC2CCCC2)CC1	1996548912	SPXSHKHABZAWBM-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](Nc1ccccc1F)C1CCCCC1	1996593366	GMWKRHPEFHUQEO-AWEZNQCLSA-N	235.346	4.597	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1[C@@H](C)[C@H]1C)NCCC	1998543104	LSHKZAGCFPDCOM-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(O)C[C@@H](C)CC(C)(C)C	1998751252	FQDRZNZFHSGAQA-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@H]1CCC=CCCC1	1999992871	IXEMZRGWPGMQJQ-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
C[C@H](C[C@H](N)[C@H]1CCCC(C)(C)C1)C(C)(C)C	2000143623	PHXSZUDFLZAUMT-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1CCC=CCCC1	2000191676	GNLFYKWPCNMENY-HNNXBMFYSA-N	236.399	4.908	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2000196105	CNFYEMZTKPMIGB-FICVDOATSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]([C@H](C)C(C)C)C1(CCC)CCC1	2000387612	LYIIDDOTWFDFJE-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNC)C1CCC(C)CC1	2000505469	RLCCMPXZWAHLRB-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CNCC(C)C)[C@H](C)C(C)C	2000510864	FEMGWBVMGLGPRN-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(O)CC2(CCCCCC2)C1	2000672460	JAJQGSUSXYWZGJ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1CC12CCCCC2	2001257436	WQPZPPKSXISFKP-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](NCC)[C@H](C)[C@@H]1CCCC(C)(C)C1	2003021453	QMHIPSQLROHMSZ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)CNC1CCCCCCCC1	2003093738	XRMLXKBWYIDMAK-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC1(CC2(N)CCCCCCCC2)CCCC1	2003097982	IQLVNEXMBTZMRY-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1CCCC2(CC2)C1	2003191861	QMQOPWUINQKYTQ-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](C)CNCC1(C)CCCCCCC1	2004936987	IMSMAYMYSARBTE-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCNC[C@@]1(C[C@@H](C)CC)CCCCC1(C)C	2005584912	APGOQKAGRIETJQ-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1CC(CC)C1)NC	2007748688	FZFASNRBKJDKPU-CKUJCDMFSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](O)C=C1CCCCC1	2007921250	LPNTZIASMOUXKM-JKSUJKDBSA-N	238.415	4.556	0	10	BJAE	
CCCCCC[C@@H]1CC[C@@H](C)CC[C@@H]1NCC	2009408857	WRBCSXRXNPPHNS-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC=CCCCC(=O)C[C@@H](C(F)F)C(C)(C)C	2009567378	PWGKTKZICAQDRJ-LBPRGKRZSA-N	246.341	4.619	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C1CCCCC1	2009595218	JIDAIAQHXYELAO-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@H](CC1CCCCC1)NCC	2009615587	AEDFWXCESIQKEY-LLCTXKFZSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1CC=C(C2(O)CCCCCCCC2)CC1	2010612798	NWAHEGLHGYIMMC-AWEZNQCLSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC)CC1=CCC(C)(C)CC1	2010770526	ZEACLLHCQBYUOV-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@](C)(N)C1CC2(C1)CC(C)(C)C2	2012110287	GEQIOMQIEXXMCZ-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCNCC1(C[C@@H](C)C(C)C)CCCCC1	2015394062	KLLFRMTYMURFSU-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(NC[C@H]2CC23CCC3)cc1Cl	2015536843	FQSSPFBXFPGYRY-GFCCVEGCSA-N	249.785	4.505	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@@H](C)[C@H]2C)CCC1	2015641127	AHIIBIRCWBBPTN-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(N)[C@@H]1CC[C@@H](C)[C@H](C)C1	2016114444	HDJINCOFDBRKOM-FPCVCCKLSA-N	237.431	4.523	0	10	BJAE	
c1cc2cc(NC[C@@]34CCC[C@H]3C4)ccc2s1	2016322976	YMJFAELRJVHYAN-WFASDCNBSA-N	243.375	4.503	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CC1(C(C)C)CCC1	2017147287	BDNXANDXMRJBHA-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C1(C(C)(C)C)CCC1	2017159061	QZJGNQPGBVHFNT-AWEZNQCLSA-N	238.415	4.700	0	10	BJAE	
CC(C)=C(C)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O	2017431877	VUKVABWVCCZAGO-QLFBSQMISA-N	238.415	4.556	0	10	BJAE	
CCN[C@@H](C)[C@@H](CC)C[C@H]1CC[C@H](CC)CC1	2017731234	PCIVFCVNCDHIPN-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2017807403	MIBZVTSZFOTKRX-ORIJERBGSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@H]1CCC=CCCC1	2018181587	LPCIUBBEEVKYKA-HOTGVXAUSA-N	237.431	4.633	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)C1CCC1)CC(C)C	2019848230	BQIBYLVKTQYYEL-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCN(CC(C)C)C1CCC1	2020644702	ZIRZCTKLIBFUAK-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCCCC1CC(O)(C[C@@H]2C[C@@H]2CCC)C1	2022452865	ANVNNBZXGAYMMR-PYBGIAKNSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1C[C@@H]1C1CCCC1	2022491138	YZLLMEJPHYTCGB-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCC(=O)C2)CC(C)(C)C1	2024090977	DHEQBHQPQMOAMM-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CC1CC(CC)C1	2025353822	YWCLAAPYQCLIHF-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1CC[C@H](F)C1	2026079766	ONCGGRKVNJXURS-IHRRRGAJSA-N	242.378	4.690	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)c1cc(C)co1	2027313946	KXLUYQBUILZDIK-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@@H]3CC[C@H]32)cc1	2027989867	CFHKPQIQYOZMMW-USXIJHARSA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccccc2C2(C)CC2)C1	2032243098	QPJRYRABXYSKBT-ZIAGYGMSSA-N	243.394	4.729	0	10	BJAE	
CC1(C)CCC(C(=O)CC2[C@@H]3CCCC[C@@H]23)CC1	2032776344	MVPXPFDXGLZCJT-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CCC(C)(C)C2)c(C)c1	2033383521	CYNWQTVLWWXTMJ-AWEZNQCLSA-N	244.378	4.621	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)C1CC2(CC2)C1	2036192951	ZCBIODDEYZPCHK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)[C@H]1CCC2(CCCC2)C1	2037699332	BVRASUPDLJZROR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H]1CCCC2(CCCC2)C1	2038354851	QJBCZKXDGZOJKX-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H]1CCCC2(CCCC2)C1	2038354854	QJBCZKXDGZOJKX-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(C)cc([C@H](O)[C@@H]2CCC[C@@H](C)CC2)c1	2039364252	WKSARPIWASWFHK-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)[C@@]12CC[C@@H]1C2	2039752648	QVUTUISSESBRHG-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@](C)(N)C12CCC(CC1)C2	2039847470	RWVAEMXGMZZCHZ-OBKBAYEDSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)C2(C)CCCCC2)c1	2039862143	LLJIICBPJGZJRG-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CCCNC[C@]1([C@@H]2CCC[C@H](C)C2)CC=CCC1	2042090669	DJVMKMQHDFZWDJ-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CC[C@@H]1N[C@H]1CCCCC12CCCCC2	2047588491	ZUCALENBHIPBEH-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C1[C@@H]2CCCCC[C@@H]12	2048530976	PYGWBNVVMMMZJA-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(C2(O)CCCCCCCC2)c1	2049697911	QLQAXMFTHZHPMV-UHFFFAOYSA-N	246.394	4.625	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2(C)CCCC2)c(F)c1	2049787988	GBDDTTILHBWYES-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@@H]2CCC3(CC3)C2)CC1	2049864034	IJMXWFZHFOSTTB-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@@H](O)c1ccccc1C	2050442162	TVGJIPORUQZHAN-HLLBOEOZSA-N	246.394	4.635	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)c1ccccc1F	2050445918	VVYOYEPQOADNHY-MRXNPFEDSA-N	248.341	4.530	0	10	BJAE	
N[C@H](CCCC1CCCCC1)c1cccc(F)c1	2050491029	ARAGLZKFSDCNRG-MRXNPFEDSA-N	249.373	4.576	0	10	BJAE	
C1CCCCC(N[C@@H]2CCC[C@@H]3CC[C@H]32)CCC1	2052281899	UYZIIXHSNPCDAS-DJIMGWMZSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](C1=CCCC1)C1(C)CCCCCCC1	2052478441	FWHREJNATQCJTK-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@@H]1CCCCC12CC2	2053417713	FTZMXYBGDMQVLY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)C1N[C@H]1C=CCCC1(C)C	2055521000	IIHBSCYNESAWBS-ZDUSSCGKSA-N	249.442	4.536	0	10	BJAE	
CC1CCC(C)(CN[C@H](C)c2ccccc2)CC1	2056540210	WTKRMVFTCMPIFQ-ISXOHVOVSA-N	245.410	4.554	0	10	BJAE	
CCCNCC1(CC=C(C)C)CCC2(CC2)CC1	2056559059	OENCGQYRPZKFKG-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2056783423	VPSWMQNUJVJOMD-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC(C2CC2)C2CC2)CC1	2058992876	WVBIAVNVOOUTGK-CQSZACIVSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@]1(CNC(C)C)C[C@H]2CC[C@H]1C2	2059250828	UMFREWRWXBVVGR-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@]1(C)CC=CCC1	2059258589	IBFAWUVXKAPYQV-TZNLOLHFSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CCC[C@@H]1C	2060921180	JMSAFFBTFIJOOW-XJNFMUPTSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C(=O)CCC[C@]23CCC[C@@H]2C3)c1	2061596983	PFOZZHWWXMCKTD-WBVHZDCISA-N	242.362	4.538	0	10	BJAE	
CCCC1([C@H](CC[C@@]23CCC[C@@H]2C3)NC)CCC1	2061613669	ATQQTODMXCTGSS-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC[C@]12CCC[C@H]1C2)CC1CCCCC1	2061617440	PHSYBAXQZCSXKP-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC[C@]12CCC[C@@H]1C2	2061618026	SGUNPYIRUQMRJW-NCOADZHNSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)c1ccccc1C1CC1	2062630131	KEOKRNACEMZABD-JSGCOSHPSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1C[C@H](CCC[C@H]2C[C@H]2C)c2ccccc2N1	2062644133	YYXGBPNELIQYGP-KBXIAJHMSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CC(N)(CC23CCC(CC2)C3)CC1(C)C	2065334332	CJLAACFWTOXTCP-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@@](C)(O)C[C@@H](C)C(C)C)cc1	2068816453	BDWSSYYTOXVEES-PBHICJAKSA-N	248.410	4.529	0	10	BJAE	
Cc1ccccc1[C@@H](O)CCC(C(C)C)C(C)C	2068824297	YSALEWFTYXIVSC-KRWDZBQOSA-N	248.410	4.737	0	10	BJAE	
CCC1(CC(=O)c2ccc([C@H]3C[C@H]3C)o2)CCC1	2069284220	XGBDBMXBRXTCOL-NEPJUHHUSA-N	246.350	4.556	0	10	BJAE	
C[C@H](NCC1(CC2CCC2)CC1)C1(C)CCCC1	2069562037	PDNQJGMOHCQCCZ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](C(=O)C2(CC3CCC3)CC2)CC[C@H]1C	2069582006	XCMCMRRBHOMIGG-VNHYZAJKSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC1CC2(C1)CC21CC1	2072228128	PIXSXFNNZDWVNH-GULBITTBSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H](C)c1ccccc1	2072416593	HJMIDBLBYJTVIM-WBVHZDCISA-N	245.410	4.515	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cnccc1C(C)C	2073342240	VBOKUEZSKNQQNP-CQSZACIVSA-N	248.414	4.976	0	10	BJAE	
C1CCC2(CC1)CC[C@@H]2N1CCCC12CCCC2	2075017418	UEWJKDKGOCDRDD-HNNXBMFYSA-N	247.426	4.508	0	10	BJAE	
C[C@H]([C@H]1CCCC(C)(C)C1)N(C)[C@H]1C=CCCC1	2075084025	HTQNETZHDJMKGX-PMPSAXMXSA-N	249.442	4.632	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@@H]2C=CCCCC2)CC1	2075371223	VSVKVJYYPDFCMC-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C(=O)[C@H]2C[C@H]2C2CCCCCC2)C1	2079488623	VKXLGCXKJPKSEK-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H]1C1CCCCCC1	2079532894	XMSFEMJLHBOOOK-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)n(C[C@H]2C[C@H]2C2CCCCCC2)c1	2079815096	QBKOASUGBAAZEU-SJORKVTESA-N	245.410	4.711	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@@H]2C[C@@H]2C2CCCC2)C1	2079852484	QSQCPYCAFXMEAH-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2C[C@@H]2C2CCCCC2)C(=O)C1	2079867619	VLDLZJOXWPAWEF-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC=C(C)C)c1cccc(CC(C)C)c1	2081780301	PAPRRALOTMTWEG-QGZVFWFLSA-N	245.410	4.502	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1C[C@@H](C)CC[C@H]1C	2081945835	ACYNEOYNKSLZGN-HWWQOWPSSA-N	249.373	4.625	0	10	BJAE	
CCC(CC)C[C@H](NC)c1cc(C)cc(C)c1C	2082918582	JOKYVVQXLHMZLK-KRWDZBQOSA-N	247.426	4.699	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H]2CCC[C@@H](C)C2)c1	2082959017	IPHHWJSHSCVEHO-IAQYHMDHSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CC(C=C[C@]2(C)CCCN2)CC(C)(C)C1	2082975114	FTUMTFNBICUIPJ-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2CC23CCCCC3)C1	2083039988	AXXQPOZWDFLGRU-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)c1cccc([C@H](N)C2(C)CCCC2)c1	2083541095	GWRAHSXELABTOU-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](C)CCCCCCCCC1CC1	2212442247	IHKDBFBCOZVLFU-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@](C)(CN[C@@H](C)CC)C(CC)CC	2212585778	FYSMNDHIJWWNRX-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](C)(N)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213295805	DEFLJWOKISFBLB-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
Cc1csc(C(=O)C[C@@]23CCCC[C@H]2C3)c1C	2213656245	GPHHCQIQQSRNFQ-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CCC1CCC([C@@H](O)CCCCC2CC2)CC1	2214566836	AILUUZWTNIWXCN-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CNC1(C)CC2(CCC2)C1	2215350460	BFIHKABYQXNFSV-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](N[C@H]2CC23CCCC3)C1	2222255061	FAKJKTLCIXMSDQ-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC2CCC2)CC12CCCC2	2223568801	JXHYZGPRBYJXDB-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC(O)(CC)CCCCCC[C@@H]1C[C@@H]1C	2243903324	SJZPONLWUYWCCO-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](O)CCC[C@@H]1CCCCC12CC2	2246617929	PUEHBXFCDMXARV-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCC(C)C)CC[C@@H]1CCC[C@H](C)C1	2246733515	QXYHYBJIEHLISH-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC1CC2(CCCC2)C1	2246815449	QGVVVIYJHVQWAE-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC1CC2(CCCC2)C1	2246818419	JZBLEBIIEULRIC-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1sccc1C(=O)CC1CC2(CCCC2)C1	2246822524	WAKRPNPUZFCDNW-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
C(CCCC1CC1)CCC1CCCNCCC1	2248598116	NARCCYZBDFWLNH-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C[C@H]1CCCC[C@]1(N)CCCCC[C@H]1C[C@H]1C	2248807998	PYYDWOJDOPHHDM-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@H]1CC[C@H](CC)CC1	2250356162	PNJFYBJGCZIKTP-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)[C@@H](C=C1CCCCC1)NCC	2250367950	BMKGKIFJVFCHMM-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCCC[C@H]1N	2250518346	IFJWGJJLAGCETG-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@]12CCCC[C@@H]1CC2	2251220193	XCTIPPZEADKNIM-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C[C@](N)(CCC1CC1)CC[C@@H]1CCCCC12CC2	2253869097	VFHWDAFKXDVQCK-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CNC[C@@]1(CC2=CCCCC2)CCCC(C)(C)C1	2255095690	UOVVDIDWHKEIOH-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC1(CC)CCCN(CC2=CCCCC2)CC1	2255202395	DNYWQYRTEPRVFC-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
C[C@@H](C(=O)CC[C@H]1CCCC12CC2)C1CCCC1	2255304354	RBUMCVWDQGVIJE-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2C[C@H]3CC[C@H]2C3)c1	2257965189	FUVYFZSNZVSDMQ-HEHGZKQESA-N	243.394	4.585	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)CC[C@H]1CC1(C)C)C2	2259578502	RZCIHPBJCABILE-XJIRZWNVSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)C[C@]23CCCC[C@H]2CC3)CC1	2260598837	CNEFLIIRSRKGCN-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(N)(C[C@@]23CCCC[C@H]2CC3)CC1	2260649197	VRSVPTLVNVYAOF-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)CC(=O)Cc1cccc(C(C)(C)C)c1	2261361514	ODSSMDVBAFSEPG-ZDUSSCGKSA-N	246.394	4.532	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)CCC1CC(C)C1	2261491436	ZKFNJTONRDDXEN-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](C)CCCC(C)C)[C@H]1C	2298841655	JKIOLJJYNAHWAD-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](CCC(CC)CC)CC[C@H]1C[C@@H]1C	2300689764	BADGKOSSBIYEAB-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N(C)CC1(C)CCCCC1	2301696598	ANCMWIMYKPCDBR-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(C)CNc1cc(F)ccc1C(C)C	2301921998	UQDJWDDLGHETBQ-UHFFFAOYSA-N	237.362	4.797	0	10	BJAE	
CC1(C)C[C@H]1c1csc([C@@H]2C[C@@H]3CC[C@@H]3C2)n1	2302267644	JWRDZHLUTDQNAQ-QCNOEVLYSA-N	247.407	4.560	0	10	BJAE	
CC(C)C[C@H](C)N(C)CCCC1=CCCCC1	2302347239	PMEOKMNNBKQMOE-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)NCCCC1=CCCCC1	2302358763	JWKDIADDWZJLPB-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
Cc1cscc1NCc1cccc(C(C)C)c1	2303747662	YMZXBGJKRUDHSM-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CCCNC[C@H](C)CCC[C@@H]1CCC(C)(C)C1	2304408765	BMOMWFRUZSBLDD-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC[C@H]1CCC(C)(C)C1	2304447222	MCYYUKDZHYMWNF-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@](O)(CCC)C1CCCC1	2307830857	GGOANQZVXBCHRB-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)CCC1CCCCC1	2307831322	JNNJGROJGUKSHJ-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCCCCC1CC(O)(C[C@@H](CC)CCC)C1	2307833496	BKSFHNYOQPZVFZ-FHERZECASA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)C[C@H](C)CC(C)(C)C1	2307880458	WOMYHPIPWOWBMA-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)[C@@]12CCC[C@@H]1C2	2308101686	GGGXMHZPVBLIQY-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@@]12CCCC[C@H]1CCC2	2308255321	VMCPZAKMSMHDMT-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@@H]2CCCC[C@]2(C)C1)C1CC1	2308400771	PKULOZLVTJMJEM-LUKYLMHMSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)C[C@H]3CC[C@H](C3)C2)CC1	2311022049	GTRALPPBPRELQD-RDSHKEJNSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCN[C@@H]2CC[C@H]12	2313234183	SWAJZVPXFZFPIF-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@@]23CCCC[C@@H]2CC3)C1	2313310691	ISNPLHMUJNAGJX-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc2ccn([C@H](C)CC3CCC3)c12	2313697225	BPQPHMFVMPKYHG-CYBMUJFWSA-N	241.378	4.955	0	10	BJAE	
CCC(CC)CC[C@H]1CCc2ccccc2C1=O	2316274217	XOGWZWGNTZWTPX-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CC(=CCN[C@H](C)c1ccco1)CCCC(C)C	2316497695	UQVYCMPDPKIKDW-OAHLLOKOSA-N	249.398	4.703	0	10	BJAE	
CC(=CCC(=O)C[C@@H]1CC12CC2)CCCC(C)C	2316565022	NRXVULSZHUGYPK-OAHLLOKOSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1[C@@]1(N)CCCCC12CCCCC2	2317086687	VAXLDSVTUIYGBG-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317118992	OGCQVFSYFVLYGY-NCOADZHNSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1C[C@@H]2CCC[C@H]21	2317919382	DRCWTZCGFCAWMZ-NILFDRSVSA-N	247.357	4.550	0	10	BJAE	
CC1(C)CC[C@H](CCCC2=CCCCC2)[C@@H](N)C1	2318537727	GOKMIICIXCLKTI-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1[C@H](N)CCCC1=CCCCC1	2318581312	VPJYNBXFWGQFDK-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)[C@@]12CCCC[C@@H]1C2	2318598006	OTDQZIHQHMPADX-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CC[C@@H]1C1CC1	2319543308	YEGIJWYDXMWYOQ-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@H]1CCCC12CC2	2320251622	BONHLSLYAYQFGF-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](Nc2cccc(C(C)C)n2)CC1	2320392988	ANQZWYAJAAEZIA-CQSZACIVSA-N	244.382	4.506	0	10	BJAE	
C[C@H](C(=O)[C@H](CC1CC1)C1CC1)C1CCCCC1	2320697265	VTLOOVSZKOMVIW-BLLLJJGKSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@@H](CC1CC1)C1CC1	2320814682	XWXZDUBSFJEFMH-IRXDYDNUSA-N	249.442	4.501	0	10	BJAE	
COc1ccc(CCCCC[C@H]2C=CCC2)cc1	2320888286	NMAYHQYPOUNCSM-HNNXBMFYSA-N	244.378	4.764	0	10	BJAE	
CCc1cc(F)cc(N[C@H](CC)[C@@H]2CC2(C)C)c1	2321089375	MJRWZOTZNGTCIR-LSDHHAIUSA-N	249.373	4.625	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1C[C@H]2CC[C@H]1NC2	2322464105	YBCDDGJGSPKNQC-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)Cc1ccc2c(c1)CC[C@@H](C)N2	2328184888	CAVOVVLGNSUHDL-KGLIPLIRSA-N	245.410	4.802	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1coc2ccccc12	2328210827	TUSMVFKLLFAOOY-DOMZBBRYSA-N	246.350	4.683	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1ccccc1C1CC1	2328214574	YDQGDJHTOPHHJE-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCNc2ccc(F)cc21	2328275699	IUFVTNXKVGACMA-STQMWFEESA-N	249.373	4.941	0	10	BJAE	
CCCCCN[C@@H](C)c1ccc(CC(C)C)cc1	20550728	HXUJEFCRZVTDHK-HNNXBMFYSA-N	247.426	4.726	0	10	BJAE	
Oc1c(C2CCCCC2)ccc2ccccc12	34260908	PTROOKTVPZZUNX-UHFFFAOYSA-N	226.319	4.593	0	10	BJAE	
CCN[C@H](CC(C)(C)C)c1ccc(C(C)C)cc1	36820034	DCRUAYSRKGLWOJ-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CCCCC[C@H](N[C@H](C)C(C)C)c1ccccc1	37249766	XJIHASUNOVTELG-WBVHZDCISA-N	247.426	4.942	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)c2ccsc2)c(C)c1	50343685	AUEYUDSHGPTMLS-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CC[C@@H](C)c1ccc(/C(=C/CCN)C(C)C)cc1	71560224	IIUQKBWTCZKPBC-BYNSURFDSA-N	245.410	4.588	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC(CC)CC)CC1	83437186	SLABXVHCIYDKPI-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CCC1CCC(CC[C@H](NC)C(C)(C)C)CC1	85082985	VXTVAYWMNATERD-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@H](C)[C@@H]1C	85086872	SNMXORDIHOSSAO-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C/C=C/CCNCCC	86571476	WMVWUKOINGJEJR-HVHJFMEUSA-N	225.420	4.539	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)CCC(C)(C)C	86572927	QRWJWYNSQOTFNT-UKTHLTGXSA-N	225.420	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cccc(F)c2)CC1	86893820	DQDFYWPQHARDEW-JSGCOSHPSA-N	235.346	4.597	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](O)(c2ccccc2)CC1	86961494	ZIVFINHPAOCHDA-WMLDXEAASA-N	246.394	4.501	0	10	BJAE	
Clc1ccc([C@@H]2CCc3ccccc3N2)s1	87337383	KWNZATUGKPRQGL-NSHDSACASA-N	249.766	4.501	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)c1cc(C)c(C)s1	87566906	ONKSKUSDNSMNEP-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1sc(C)cc1C	88047213	KAVSEZIIZNGWNL-LBPRGKRZSA-N	238.396	4.764	0	10	BJAE	
CSc1ccccc1NCC1CCCCCC1	89557645	COSHTWXKVXBRCU-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CCCC[C@@H](CNC(C)(C)C)c1ccccc1C	93106351	BHFNRLBFDUWPID-HNNXBMFYSA-N	247.426	4.657	0	10	BJAE	
CCC1CCC(N[C@H]2CCCCC2(C)C)CC1	94279102	AFWRUZAQLZPBNG-NRXISQOPSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](C[C@H](C)CCC)NCC	126015833	NRMCIJRIDRTOCF-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCCc1cccc([C@H](NCC)[C@@H](C)CCC)c1	131659757	VQUSZNXCMWXKNI-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CCc1ccccc1C/C=C/c1ccccc1	142106209	KXZUNUMIEDTHIX-DHZHZOJOSA-N	222.331	4.505	0	10	BJAE	
Oc1cccc(-c2cccc(-c3ccccc3)c2)c1	148659609	QDRIIOUTQBYXQI-UHFFFAOYSA-N	246.309	4.726	0	10	BJAE	
CCCCC[C@@H](CCC1CCCC1)NCCC	159576925	NDZGHPRTOMKVFZ-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCC[C@@H]1CC	163858185	JBHOMCLXKYFZEZ-ZFWWWQNUSA-N	231.383	4.630	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cc2ccccc2s1	165074977	DUAMHPZNCABLOA-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
CC(C)CCCNc1cccc(Cl)c1Cl	165194307	GSGHXOMDGNHWLW-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
CC(C)CCC[C@]1(N)CC[C@@H](C)c2ccccc21	165693368	XKQMUNQBKRCHGB-PBHICJAKSA-N	245.410	4.564	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H]1CCCC[C@@H]1CC	165743299	HUGCIIPRKUXQPI-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)c1C	166054031	RJFOOCYGCGEYCJ-NJZAAPMLSA-N	244.378	4.558	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCCC[C@@H]1C(C)C	214417943	RPDGOXNIBRELEH-NVXWUHKLSA-N	245.410	4.876	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC[C@@H]2C(C)C)cc1	214457354	ZSKOVMJUUBUWMI-SJORKVTESA-N	245.410	4.876	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCC[C@@H](C)C1	217904319	OJAPSDHFFJTJJB-QLFBSQMISA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](NCC)[C@@H]1CCC[C@@H](C(C)C)CC1	219279125	WOUYIZCAEFMOEC-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CC[C@@H](C)[C@@H](C)C1	220606258	JIGSDVVJPWHTAZ-QKPAOTATSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H](CC)[C@@H]1C)c1ccccc1	225203629	HGNNPRXAFBVHKY-HDEZJCGLSA-N	245.410	4.552	0	10	BJAE	
CCN[C@H](CCC1CCCC1)c1ccccc1C	229436899	WWTHECZRLPGXAU-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1ccc(Cl)o1	233000686	UAPWGOQHOYTRND-SNVBAGLBSA-N	242.746	4.722	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)[C@H](C)C(C)C	252907744	WZOQTBZLQMLHBE-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC(C)c1cnc(Cl)c2ccc(Cl)cc12	258051427	GXDITHHAJFKTOO-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCC2CCCCC2)C1	305895445	FXDBDLUNTZKJEZ-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CCCC(C)(C)C)C1	305904899	DUCSELBUNPDYDN-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](O)(CCCC(C)(C)C)C1	305915960	KFDIMHXWFMPFLJ-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)C1CCCCC1	305988173	IXBFAHAQTJYFCR-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CSc1cc2c(Cl)csc2cc1S	307485272	BJMWJYYLVBQWEE-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](NC)c1ccc(C)cc1C	308079756	PQAIMTNXSBBJIN-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
Clc1ccc(O[C@H]2C=CCCCCC2)cc1	309139688	XRHQYZJOCOGXNP-ZDUSSCGKSA-N	236.742	4.608	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC(C)C)C1(CC)CC1	310262348	GOKPKFPIYVUFIY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1ccccc1C(C)C	310364655	VBMLQZJGFAOYTP-CJNGLKHVSA-N	233.399	4.507	0	10	BJAE	
C/C(=C\[C@@H](C)C1CCCCC1)CNC(C)(C)C	310390523	GAFUQSNJPQXWBG-YPDDLIOESA-N	237.431	4.537	0	10	BJAE	
CNC[C@]1(CCC2=CCCCC2)CCC[C@@H](C)C1	316946541	GUAYHFBMOQAXHY-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CC(C)=CC[C@@]1(CNC(C)C)CCCC[C@@H]1C	317970361	TYDDLLCTUXSFIK-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@@H]1CCC[C@@H](C)C1	318303456	NCTHVZKXKXHGBQ-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1(CCC(C)(C)C)CC[C@@H](C)C1	319296863	ODJXWBXWUACWOI-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H](NCC)C(C)(C)C1CCC1	322335927	ZXXRGVJAZFJCII-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C(C)(C)C1CCC1	322943616	MXCJVTJCPMKQAU-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC1(CC)CCC1)NCCC	379797897	LSEDQOWWLZQVAB-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC(C)NC[C@](C)(CCCC(C)(C)C)C1CC1	382682645	WACRLRCXFFTLKM-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@@](O)(CCCCCC(C)C)C1	383131569	DCFUQGWGBGIYRA-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCc1ccc([C@@H](O)CCCCCC(C)C)cc1	383490878	GACZEZSRZUTBBF-KRWDZBQOSA-N	248.410	4.889	0	10	BJAE	
CC(C)CCC[C@H](O)c1cccc2ccsc12	386354470	VBBFPSQNLNIYGC-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](NC)C2=CCCCCC2)CC1	393358213	QYEPICMUIQZKRI-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](N[C@H]1CCC1(C)C)c1ccccc1	393969508	YGRAHMUIGFRLCQ-HOTGVXAUSA-N	245.410	4.696	0	10	BJAE	
CCc1cccc(C(=O)[C@H]2CC[C@H](CC)CC2)c1	394067660	NSALIRDSGIDLRU-CTYIDZIISA-N	244.378	4.648	0	10	BJAE	
CCc1cc(C(F)F)c(S)c2sccc12	396253612	SOPQGQICOJMVSU-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1c(C(F)F)ccc2scc(F)c12	396254538	UEWPDZAJQXRXLK-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
Cc1ccc2sc(C(F)(F)F)cc2c1S	396290466	AUGZRSKXRLIIBA-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
C[C@@H](Cn1ccc2cc(Cl)ccc21)C1CCC1	398609562	FLBFAUZYFAJGFI-NSHDSACASA-N	247.769	4.731	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C1CC1)C(C)(C)C	405790667	GINUSWLVBCDRSK-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
O[C@@H](CCCC1CCC1)C1CCCCCCC1	688354494	ZFPGVLHBQANWOV-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](N)CCCC1CCC1	688357643	JMOJZNRTPWXWRM-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@@H](C)C1CC1	688914174	KMFJAZHOBUSUJT-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CNc1cccc(CC2CCCCC2)c1Cl	694960721	KCDAQOJAYZZEBC-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H](C)[C@@H](C)CC	696184973	FBPRICLTDGWDFA-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@@H](C)CC(C)C	696186792	OPTBOSIYYKYFOA-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@@H](O)Cc1ccc(C(C)C)cc1	696552327	YDYPZXPCVSPDPJ-INIZCTEOSA-N	248.410	4.540	0	10	BJAE	
CCC(C)(C)CCNc1ccc(SC)cc1	696753328	UZXXQTDVBPEARH-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CCCN[C@H](c1cccs1)C(C)(CC)CC	701171360	OWFQQSXPTCIPTB-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc2sccc2c1	701410175	DPCJQVWNLZJLRR-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@@]1(C)CC1(C)C	702213459	GIOSEELPVRRPNL-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(N)CCCCC[C@@H]1C(C)C	704461624	PUIUVHQUUHYVFC-ARFHVFGLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC[C@H](C)CC(C)(C)C)NCC	709102288	LUHJYVDILQMJQO-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCCCCN[C@H]1CCCCC[C@@H]1CC	709131968	GVJHBNGHDPPRRZ-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](C[C@@H](C)CC(C)(C)C)C1	709191896	UTEWSBHVOFUKKU-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@H]1Cc2ccccc2C1=O)CC(C)(C)C	709277288	XGKTVJCITOLXIU-GXTWGEPZSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@@H](CC)CNc1cc(C)c(N)cc1C	710674622	UIPMQJGYUYPGSE-CQSZACIVSA-N	248.414	4.514	0	10	BJAE	
C[C@@H](C[C@H](O)C1CCCCCCC1)C(C)(C)C	710734951	HEBXNGWDKYPOMS-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](C[C@@H](CC)C(C)(C)C)[C@H](C)C(C)C	711162212	KXGJVDCIMVAJRG-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1CCCCCC1	711246456	OWYUGSSZIFIESA-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1cc2ccccc2o1	711301409	WOOUGXTYXOKMSS-ZDUSSCGKSA-N	246.350	4.683	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](O)CC(C)(C)C	713171521	XJHPUGRQBZEHRN-BPUTZDHNSA-N	248.410	4.613	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(C(C)C)CCCCCN1	713267658	NUQHFOKHJFHVCY-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCC(=O)c1cccc2ccccc12	713739888	RIALKDVZHGZVHN-ONEGZZNKSA-N	236.314	4.545	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CCC(C)=C(C)C)C1	719176360	OMIKOCPWNKADKD-LSDHHAIUSA-N	236.399	4.908	0	10	BJAE	
CC1(C)CCCCC[C@H]1NCCC1CCCC1	719296462	ZFAUTMMFKIDTLY-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
FC(F)(F)c1cccc(SC2CCCC2)c1	1164504066	BRQKPJDGNRZNTG-UHFFFAOYSA-N	246.297	4.740	0	10	BJAE	
CCCCCC[C@H](C)NCC1(CC2CC2)CC1	1308920399	MQEAXSANODEQGO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](SCC(C)(C)C)c1ccc(F)c(F)c1	1613781971	AMLRSWDBNDFCPJ-SECBINFHSA-N	244.350	4.805	0	10	BJAE	
CCC(CC)CCCC(=O)CC1CCCC1	1900711342	CPAOVGOZEKUPFU-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCC[C@@H]1CC	1905388428	JWEUQVXAQAQHPR-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@](C)(O)C[C@@H]1C[C@H]1C1CCCCCC1	1910708132	VRJXSFNFZRJZKF-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1C[C@H]1C(C)(C)C	1910809652	OXOFHKJNLNSUND-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CCCC1CCC1	1920204823	UWIKYQHLNAPFNF-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@@H](C)Cn1ccnc1C1CCCCC1	1923569757	ZBWANYWZZFSXPG-CQSZACIVSA-N	248.414	4.613	0	10	BJAE	
CCCCC[C@H](CCCC1(C)CC1)NCC	1935941488	VLUTVUBUSPDMSG-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@H](CC)C(C)C	1936211505	XKRYXQYQXAHNNP-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC1(C[C@H]2CCCCC[C@@H]2CN)CCCCC1	1940406006	FITSEHLEZDRSPN-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)C1(C)CCC1	1940415254	MXEOOHHDVCAGDP-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C[C@H](N)CCC1(C)CC1)C1CCCCC1	1940794364	BSWJKDHPYVNRLP-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C(=O)CC1CC(C)(C)C1)C(C)C	1941261166	PFYOTIWVTSFDSA-CQSZACIVSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NCC)[C@H](C)CC(C)C	1941265244	UYMMRCUGMRAEHX-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](O)CCCCCC2CC2)C1	1941578256	YSDDCKWTDUGAGT-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCCCCCC1CC1	1941580648	CBPMDBXGTFGMSK-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CC1CCC=CCC1	1941793037	LJDBGVWQNKLCLI-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C[C@H](C)C1CC1	1944533272	FXWCKWYVJQPWKT-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@](N)(c1csc2ccccc12)C(C)(C)C	1945616545	NILZZWXROOEOGN-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CCCC(CCC)N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1946260708	WVVSVYCWQMASDZ-MIFYACCESA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)[C@H]1CCCC[C@@H]1CC	1947460991	APCPPEDHPBGVRI-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCCNC[C@@H]1C=CCCC1	1947582501	SOCBZCCOKQJTDL-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)[C@]1(N)CCC[C@H](C(C)(C)C)CC1	1949085732	JEYFYLSARIGZID-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CC2(C)CCC2)CC1	1950921098	BRFAFYHJZLKSET-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1CCCC(C)(C)CC1	1950922428	NSCUKHZAUWMSEV-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CCC[C@H](C)CC1	1950929589	IIQROBJWNPVXID-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCC(=O)C1CC2(C1)CC(C)(C)C2	1950934831	BXYJQVWZEGRBRJ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](NC[C@@H]1CCC(C)(C)C1)c1ccccc1	1963322001	CHZNPOGKRVBWQJ-ZBFHGGJFSA-N	245.410	4.554	0	10	BJAE	
Cc1ccccc1NC1CC(C)(C)C(C)(C)C1	1968252916	VPLIPZILWPUISJ-UHFFFAOYSA-N	231.383	4.622	0	10	BJAE	
Cc1ccccc1OC[C@@H]1CCCC(C)(C)C1	1968269796	FRBGMAWRQGSXNE-CQSZACIVSA-N	232.367	4.590	0	10	BJAE	
CCC(C)(C)CCN1CCC[C@@H]1c1ccccc1	1968482550	FGKUUIMQYAEYCT-MRXNPFEDSA-N	245.410	4.650	0	10	BJAE	
CCC1CCC(CN(CC(C)C)C(C)C)CC1	1968829792	DRDRSFGQRVHBOQ-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC1CC(CC)(CC)C1	1972937334	ZDAABBXZCCJHGZ-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)c1cccs1	1984640097	OAMXTLOOFCPUOV-LQPUYASZSA-N	237.412	4.535	0	10	BJAE	
CCCCCCC1(O)CC(CCCCC)C1	1984691875	GXQDWNNQHXBWMW-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CCc1ccsc1C(=O)C(CC)(CC)CC	1985608728	DTQWEUUAJIYMOT-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1CCC(C)(C)C1	1990092069	UXJPLAHOBOHTSD-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCSc1ccccc1NC[C@@H]1CC[C@H](C)C1	1996209958	VKQDOJVVFJTXQP-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C1(C)CC=CC1	1997542840	BJHCYOMQCFFRIG-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@@H]1C=CCCC1	1998379595	GKSCRBSFYCIGIX-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CNCC(C)C)[C@H](C)CCC	2000523079	LRPQCKGVMGTZIY-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CCC23CCC3)s1	2001852147	SAJKQEKAUWDKHZ-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCC(C)(C)CN(C)C[C@H]1CCCC(C)(C)C1	2002996311	PNTDNNVDQYXWKC-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@H]1CCCC2(CC2)C1	2003215585	VUVPDCYLZPQISM-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(=O)CC2CCC3(CC2)CC3)s1	2003287615	LPFWTZBUTSGDCU-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)CC[C@H]1CC=C(C)C	2004226480	HXGFJNCUYOYUCK-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC(C)(C)CC1)C1(C)CCC1	2004834712	PLMHWXAYCAZKEL-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CN[C@@H]1C[C@@H](C)C[C@H](CCCCCC(C)C)C1	2006621476	BALQDWGCDHXDBA-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@H](N)C1(C)CCCCCCC1	2009634339	FYCJEGJKFWOCRK-BWPKMQGJSA-N	237.431	4.811	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@@]12CCC[C@H]1C2	2011018325	ZPHWKVYDDFZCGU-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H]1C[C@H](CC=C(C)C)CC(C)(C)C1	2012065763	XERAACXQWQFPCE-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1CC(=O)CC2(CCC2)C1	2012082275	BRBXKWZPGVQJNF-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@]1(C)CC=CCC1	2013267830	ULIWBESARNFWRU-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C(=O)CCCCCC(C)C)oc1C	2015327874	VSXLWHWNHPOXEM-UHFFFAOYSA-N	236.355	4.686	0	10	BJAE	
Cc1cccc(OCC(C(C)C)C(C)C)c1C	2015384886	ZAEGPSFVRCXTRL-UHFFFAOYSA-N	234.383	4.610	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CC(C)=C[C@@H](C)C2)CCC1	2015599104	GPOKZFDDLZBQIK-OCCSQVGLSA-N	234.383	4.518	0	10	BJAE	
CCCC1(C[C@@](N)(CC)CCC(C)C)CCC1	2015643777	GLOTYXNYDSLAQF-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC(C)C1(C[C@H](O)C2CCCCCC2)CCC1	2017115338	XDZBCXQUMCDNQN-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@@]1(CC(C)=C(C)C)CCCC[C@H]1C	2017467473	WZMMDYMMIXLBHW-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C[C@@H](C)C(C)C)CC1	2017658613	OOUXEIMWNXFOQM-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCCNCCC(C)(C)C[C@H]1CC[C@H](C)CC1	2017733332	JHLLDMSVYYLGNX-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(CC(=O)CC(C)(C)F)CC1	2017774033	JNUPADRHPUBOBT-UHFFFAOYSA-N	242.378	4.690	0	10	BJAE	
CCCC[C@@H](CC)Nc1snc2ccccc12	2018081919	VYCZGCMAIAWEJD-LLVKDONJSA-N	248.395	4.677	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1CC(C(C)C)C1	2018131810	VHBXQVDLEWHZCQ-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H]1C[C@H]2CC[C@H]1C2	2018132449	TWUFPZNHIQVVCG-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@]12CCCC[C@@H]1C2	2018583629	SIKZFMHVJHPHIQ-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](N)[C@H](C)C2CCCCC2)CC1	2018919546	ZUVVRTKEELSJMD-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC2(CN)CCC(CC)CC2)CC1	2018973087	GWXFRUJTNPISDI-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)C(CC)(CC)CC	2019006377	PETYDOVIPCIHOE-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)N(C)CC1CCC(C)CC1	2019170270	MQNSTSQXAFBENF-GPANFISMSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@@H]1C=CCCCC1	2019502371	DPOZTIUUMZGQJL-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCCCCN(C)CC1CCC(C)(C)CC1	2019940293	ZUSRTDLOQPDUBR-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC=C(CC)[C@H](CC(C)(C)C1CC1)NCCC	2020964631	IKTTXQLEUYNFQL-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccccc1C1CC1	2021026214	NJTDMTRQGYHRSZ-WFASDCNBSA-N	229.367	4.555	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H]1C[C@@H]1CCC	2022392352	ZPHFYUKDVIFXGE-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2C[C@H]2C(C)C)cc1	2022478716	WBKXLXHTEPCPGW-ZBFHGGJFSA-N	231.383	4.514	0	10	BJAE	
CCCCCC[C@@H](N)[C@H]1C[C@@H]1C1CCCCC1	2022549532	KHXCBRLHRDWTCC-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H]1C[C@H]1C(C)(C)C	2022561882	DSRAHGRRHTUEPZ-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CC(C)C(CC[C@@H]1CCC[C@@H](C)C1=O)C(C)C	2024004975	UOFIRKWKCOQDNR-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CCCN(C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2024119271	WHAXDGNEHYPVPD-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCC1(F)CCC1	2025240147	HRHZKOKGMKVKIY-CYBMUJFWSA-N	242.378	4.690	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1CC=CCC1	2026075013	RBQHLBQCKGROPB-GJZGRUSLSA-N	236.399	4.908	0	10	BJAE	
CC(C)c1ccccc1C(=O)CC1(C)CCCC1	2027518698	UTYNEXFCYRXGEY-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCC[C@@](N)(CCCC1CCC1)c1ccccc1	2028483587	DJUUSKWFRAEEGH-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
CC1(C(=O)c2cccc(C3(C)CC3)c2)CCCC1	2028560534	QYNIXKMZMOEKDD-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1ccccc1CC(C)C	2028924845	YMGGFYMKCDLJIO-WMLDXEAASA-N	247.426	4.711	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](N[C@H]2C=CCCC2)CC1	2030347686	YWZICCCXXHMGJO-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
C[C@H]1CC(C[C@]2(N)CCCC23CCC3)C[C@H](C)C1	2031816128	DNSNKGJUYMAUDX-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	2031820853	ZJZJOEOLGWXMAD-FICVDOATSA-N	244.378	4.640	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1CCCC2(CCCC2)C1	2034370676	KRNYSPPOJKQROH-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC(CC2(N)C[C@H]3CCCCC[C@@H]3C2)C1	2035852788	NEIHLBAXILTQHZ-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C2=CCCCCCC2)CC1	2037074391	MZIMWEGBPFGONY-NVXWUHKLSA-N	249.442	4.955	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@@]2(CNC(C)(C)C)C=CCCC2)C1	2037685081	DMHIMTJWHMRDRW-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
NCC1([C@@H]2CCC3(CCCC3)C2)CCCCCC1	2037687152	QMJUOLYHXMRRAV-OAHLLOKOSA-N	249.442	4.646	0	10	BJAE	
CC=CC[C@]1(CNC2CC2)CCCC(C)(C)CC1	2039376873	OWUBFGBIJMHXEZ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)C1=CCCCCCC1	2039439774	AEMNEZJVIQWIJZ-BHYGNILZSA-N	247.426	4.587	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)C23CCC(CC2)C3(C)C)C1	2040145403	IXVAVHIWAWDHKR-WIJYIZELSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)[C@H]1C=CCCC1	2043187806	OLPVPUPQCVCILE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCC3(CCC3)C2)CC1	2043610810	AQBMHESZAKSCGN-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(N)CCCC23CCCC3)C1	2045393755	BNAZNNVBFXAJMV-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@H]1CCCC[C@H]1CC	2045795644	ZZXOMXTWOBVYND-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](CC1CC1)NC1CC2(CCCCCC2)C1	2046230762	XFMNOGBIPTWAFX-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CC1(CN[C@@H]2C[C@@H]3CCCCCC[C@H]32)CCCC1	2047437503	MBBXXQQSHQZSSW-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CC2CC=CC2)CCCCC12CCCCC2	2047563257	YDESJFUJMHOBAU-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@@H]1CCC12CCC2	2047943121	PAOOKGONYOCKRW-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC[C@]1(C2[C@@H]3CCCCC[C@@H]23)CCCCCN1	2049220534	XAZGXDQUYNDSMI-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC([C@@](C)(N)C[C@H]2CC23CC3)CC1	2049487558	YEBCUBOAETZLLB-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC2CCCCC2)cc1	2050427214	RKODMDIAXJYYAH-KRWDZBQOSA-N	245.410	4.745	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(C2CC2)cn1	2052658192	CQCIEQQEXIRXQI-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CC[C@@H](N[C@H]1CCC[C@@H]1C(C)C)c1ccccc1	2053267831	UYFDAZYLUDTXSC-ZACQAIPSSA-N	245.410	4.552	0	10	BJAE	
CN(CC1CCCCC1)[C@@H]1CCCCC12CCC2	2053433016	BWLNBVGHTBKLNF-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCC1CC(C[C@@H]2c3ccccc3NC[C@@H]2C)C1	2056644207	AFTGWXRNUKQAEF-USPMSXPRSA-N	243.394	4.658	0	10	BJAE	
CCC1CC(COc2ccccc2C(C)(C)C)C1	2056666597	SXEMIOXRRGZAGF-UHFFFAOYSA-N	246.394	4.799	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@]1(C)C=CCCC1	2059252710	KQKBKHYODAQMNI-XQTSXYSPSA-N	249.442	4.847	0	10	BJAE	
CCc1c(C)ccc(C(F)F)c1C(F)(F)F	2060351082	LBCIYLSYFGOZMH-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CCC1CCC([C@H](NC)C2=CC[C@H](C)CC2)CC1	2060924906	HLGIWXKXWNRLLV-VFNXUKNFSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1CC(=C2CCC2)C1)[C@H](C)CCC(C)C	2061737952	XEKMNZCAOWTJFL-CXAGYDPISA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@H]1CCCC1(N)CCC2(CCCC2)CC1	2062648248	ZFECPXGIVYMBTD-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H]1C[C@H](CC2CCCCC2)CC2(CCC2)C1	2063643099	SEDRNDGUSSRQNG-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)CC23CCC(CC2)CC3)c1	2065276255	BNMDFVMNUKEYRG-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H](C)C1(C)CCCC1	2067530929	VIBSVCHRGXYYGW-GJZGRUSLSA-N	249.442	4.824	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)C[C@H]2CC23CCC3)C1	2069175500	BQHXLMKCZQTNSR-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCNC1CCC2(CCCCC2)CC1	2071465860	MPKCTWLZNSHPMS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CCCC2(CC2)C1	2072424280	JPDJWPYJMXCILW-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccccc1[C@H](C)O	2073344255	BPMHCRBDUMKWHO-KBPBESRZSA-N	249.398	4.511	0	10	BJAE	
CCCC[C@]1(C[C@@H]2CCCC3(CC3)C2)CCCN1	2073791524	RLWOQMBPFDJJFA-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CC[C@@H]2C2CCCCC2)C1	2074888731	MNZDFEJXQHANPF-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
CCCc1ccccc1CN(C)[C@@H](CC)CCC	2075232064	VISWEMDJQHPIQM-KRWDZBQOSA-N	247.426	4.650	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@H]1C1CCC1)C1CCCCCCC1	2079292918	APCHAYZDDBVXCJ-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(C[C@@H]1C[C@@H]1C1CCCCC1)C1CCCC1	2079832467	NJNNMJOBNWOLKV-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1C[C@H]1c1ccccc1	2079841713	KJFWRUSYGBNLIO-GJZGRUSLSA-N	244.378	4.576	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)C1CCC(CC)CC1	2080260433	PCMFHDNHLHZHPP-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCC2(CCC2)C1	2081954162	BVFWTGZJQFKCJR-AWEZNQCLSA-N	247.357	4.523	0	10	BJAE	
C[C@@H](CC1CCC2(CC1)CC2)[C@H]1CC[C@@H](N)CC1	2082137404	SYXQQRADKRCQMQ-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)[C@@H]2CCC3(CC3)C2)C1	2082975795	LTAAKIWBJIUTBE-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H]1CCCC(C)(C)C1)[C@@H]1CC=CCC1	2082979257	MOHPZHIRINWKPZ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC(=C[C@@H]1CCCC(C)(C)C1)C[C@H]1CCCCN1	2082979894	RBNXFSBECUXKJM-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(CC2CC(=C3CCC3)C2)c(F)c1C	2083359879	PECXZKUXLYPMJC-UHFFFAOYSA-N	244.353	4.876	0	10	BJAE	
CCCCC[C@H](CN[C@H](C)CC)C(C)(C)C	2212576966	REDQWSSWUYTANR-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](CCCCCCC1CC1)NC	2213576354	OYGRSIKIFBSDRL-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCCCC1CC1	2214583517	QWDCZJMTOQTUKU-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@H]1CC)CCC(C)(C)C	2215249286	MHOANLHJDNBCGH-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@@H]1CCCCC1(C)C	2215331349	KGBWELCQZBGDCR-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)[C@]1(CNC(C)(C)C)CC=C(C)CC1	2215841079	VRELBVFKJDFWQJ-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@]1(O)CCCCCCCC1CC1	2216861527	HHLHYSIMHOUGGB-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)NCC1([C@@H](C)CCC(C)C)CCC1	2217148519	DKNYBDHOMKEMNE-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218386374	ULYAYRYMLQJABP-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1(N)CC(CC2CC2)C1)C1CCCCC1	2218494019	PEEDTLUIGCTQTP-KTAKPFMOSA-N	249.442	4.501	0	10	BJAE	
C=C=CC[C@H](CCCCCCC1CC1)NCCC	2218727572	RFEDQZIJPJZLJI-QGZVFWFLSA-N	249.442	4.836	0	10	BJAE	
CCC1CCC(Nc2ccnc(C(C)C)c2)CC1	2220884312	AJUORYFRNINWCI-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@H]1C[C@H]1C1CCCCCC1	2220961195	PAKTWPBSQUCGQU-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H](N)CC(C)(C)C2CC2)CC2(CCC2)C1	2221014961	UQMRHZJTBIBQRP-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C2=CCCCCCC2)CC1	2221627684	VOHZIHHFGCZNLL-SJORKVTESA-N	247.426	4.731	0	10	BJAE	
CCC[C@@H](CC)CNC1CCCCCCC1	2244801667	MQXKINWOWFNDBJ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC1CCC(C)(C(=O)CC2(C)CC(C)C2)CC1	2246528149	VQJKMYRHOYQZFM-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CCCC[C@@H]1C[C@@H]1C	2247125298	XVSDOXCRQQKAIK-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC[C@H](N)C1(C)CCCCC1	2247170148	GMLPXRUMJODUDY-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)NCC[C@H]1CCCC12CC2	2247603963	YCNGIYANIUIWFJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C[C@H]1CCCC12CC2	2247667647	XNTWSLUNZBDIJS-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC1(C)CC(Nc2cc(C)c(C)c(C)c2)C1	2249495373	CVPOUHPKZABOPL-UHFFFAOYSA-N	231.383	4.602	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1ccc(C2CCC2)s1	2250290445	UBDYGFXRNXRZJB-NEPJUHHUSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1CC[C@H](CC)CC1	2250360535	HXBWXQSNANZMBN-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC[C@H]1CCCC12CC2	2250409264	AUQMRNPOGMRUIG-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@H](C)C1CCC1	2250493174	ZIKWDVJNVODUKO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@]12CCC[C@@H]1CC2	2251167707	QQLVORAQLKSLHR-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@]12CCC[C@@H]1CC2	2251217173	FSXXDAFHQZWYGA-OWCLPIDISA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1ccc2ccsc2c1	2253130024	QJQIBRZYNKFYQD-CYBMUJFWSA-N	247.407	4.727	0	10	BJAE	
CCC(C)(CC)Nc1ccc2cccc(C)c2n1	2253801193	AMZWJXVAJZMPLC-UHFFFAOYSA-N	242.366	4.534	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)CC[C@H]1CCCC12CC2	2255254987	ZWNPYSGQHKOVQG-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC[C@]1(C)C=CCCC1	2257362630	TVBFUBAVQAXLGM-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@]23CCC[C@H]2CC3)CCC1	2260512847	QHRCRKNOZPZEPC-GUYCJALGSA-N	248.410	4.742	0	10	BJAE	
CC(C)(NC[C@@]12CCC[C@H]1CC2)C1CCCCC1	2260577920	IQPBDOFGSGPBNW-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC1(CCNC[C@@]23CCCC[C@@H]2CC3)CCCC1	2260628120	SICCZSHVUXQPOW-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
C[C@H](C[C@]12CCCC[C@H]1CC2)c1ccc(N)cc1	2260653154	XCLCCMSEIPNNSC-UKPHBRMFSA-N	243.394	4.733	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@]23CCC[C@H]2CC3)C1	2260673093	QTFXTYPEOIUNPU-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CCC(=O)c1cccc(CC2CC2)c1	2260911304	YSDWYEYWTYYFOO-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](NC[C@H]2CC=CCC2)C1	2261386657	QONAIPXLNJVHLN-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@@H](C[C@@H]1CCC[C@H]1C)NCC	2298646062	JFQUKHYYYJFSQM-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@H](C)CC(C)(C)C	2300504512	AYBJNNIBLKSADZ-HOCLYGCPSA-N	241.463	4.993	0	10	BJAE	
CCC(CC)CC[C@H]1CCC(C)(C)C[C@@H]1NC	2300682762	BYYBPUQAJFVXKK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CCC1(CNC)CCC(CC)CC1	2300862034	ZBULSRGXQBYRAS-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(=CCN[C@@H]1CCC1(C)C)CCCC(C)C	2300865606	PIJLLOIXOHREJR-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@@H]1CC[C@H](N)[C@@H]1C)CCCC(C)C	2300881285	RKZULVMCXRPNDW-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)CC1CCCCCC1	2301242495	STNIULLAPOLDII-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)NCCC1CCCCCC1	2301714610	PLZFJEYXRLONOO-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1ccc(C(F)F)cc1	2301830302	WLCRTDMBQDVRPW-MNOVXSKESA-N	241.325	4.717	0	10	BJAE	
CC(C)c1ccc(F)cc1NCC1CCCC1	2301908278	QWQFXFWOBICRHQ-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
CC1(C)C[C@@H]1c1csc(C2C[C@@H]3CC[C@H]3C2)n1	2302262232	JWRDZHLUTDQNAQ-JBLDHEPKSA-N	247.407	4.560	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCC2=CCCCC2)C1=O	2302301485	SLSOFWJILVQPMX-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1C(=O)CCCC1=CCCCC1	2302342736	MJDLGDCHOZRAQB-CABCVRRESA-N	234.383	4.518	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)CCC1CCC1	2302353092	BGAYCFVLXOEQLO-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CCC[C@@H]1CC1(C)C	2302613524	RQYQHOLKMAYGCW-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)c1ccc(C2CC2)s1	2302615196	JWZWMLLMAPPVFF-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC(C)=C(C)C1)C(C)C	2303585321	VLDMVHOFGPWAMW-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)[C@@H](N)c1cc(C)ccc1C(C)C	2307506923	YAXVJJVOMMWPDF-XJKSGUPXSA-N	233.399	4.554	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@H](C)C(C)C)c1	2307563799	VBOCUTXLCDEKOL-CYBMUJFWSA-N	232.367	4.593	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CCc2ccccc2N1	2307801171	KARDXHQAYJBRKA-UKRRQHHQSA-N	231.383	4.630	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1CC(C(C)(C)C)C1	2307833989	GENNHTIJRQCYFU-URGYJCLVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1ccc(C)cc1C	2307905745	ZBGUZMTYIFOJEF-GDBMZVCRSA-N	233.399	4.520	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)C1CC(C)C1	2307909510	KRNPQIADQCWPLS-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CC(=C2CCC2)C1	2307911148	SKSPDORVBKYGHE-LBPRGKRZSA-N	234.383	4.662	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)[C@@]23CCCC[C@@H]2C3)CCC1	2311129551	PASWGHWKVIJQDG-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@@H]2C[C@H]2C(C)(C)C)c1	2311491293	DACAEXLVHWFHBX-BZUAXINKSA-N	246.394	4.526	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](N)C[C@@]12CCC[C@@H]1CC2	2313330286	HAVKNQQCXVFUAV-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC=Cc1ccccc1	2315949099	DKDINCOCXIFAFI-QGZVFWFLSA-N	245.410	4.634	0	10	BJAE	
CC(=CC[C@H](N)c1occc1C)CCCC(C)C	2316503753	REVYLOWRGJNRGR-HNNXBMFYSA-N	249.398	4.751	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317199411	FQOLZUQYHZGCQS-OAGGEKHMSA-N	248.410	4.764	0	10	BJAE	
O=C(CCCC1=CCCCC1)C[C@@H]1CC[C@@H]2C[C@H]12	2318504029	UIJQVSWWXIGRBD-ZMSDIMECSA-N	246.394	4.662	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)[C@H]1CCC2(CC2)C1	2318575423	FEFFYJFAFVHZKN-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)[C@@H](O)[C@H](CCCC2=CCCCC2)CC1	2318575482	FSCDDGFZTQHZIK-IAGOWNOFSA-N	248.410	4.764	0	10	BJAE	
C1=C(CCCN2CC[C@@H]3CCCC[C@H]32)CCCC1	2318575870	JMSRMNPYDKBZFI-DLBZAZTESA-N	247.426	4.532	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CC1(C)CC2(CCC2)C1	2318928637	OPKALHZSFVJKCD-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CCC[C@@H]2C[C@@H]2C)NC)CC1	2318938168	HILOZEYMZANDNL-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCC(=O)Cc1ccccc1C1CC1	2318969362	DHZLPXCQRIXFPM-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H]2CC[C@H]2C(C)(C)C)c1	2320213124	INEOTFWKYKFXHK-HUUCEWRRSA-N	244.378	4.558	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@H]2C[C@@H]2C(C)(C)C)CC1	2320340035	IRHJFFYKZLQVNC-UGUYLWEFSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@@H](CCC(=O)c2ccccc2)CC1	2320387683	JBCBKICRJRPRTN-OAHLLOKOSA-N	242.362	4.786	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)C(C)(C)C2CCC2)CC1	2320422854	JEEFXCHZHAUBNR-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CCCC(C)(C)[C@H](N)Cc1cccc(C(C)C)c1	2320634552	RCAFDPTXVWZIRM-MRXNPFEDSA-N	247.426	4.506	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H](CC1CC1)C1CC1	2320814679	XWXZDUBSFJEFMH-DLBZAZTESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)CCCC23CCC3)C1	2321603481	SFOXOKDPISOTGZ-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H](CC=C2CCN[C@H]2C(C)(C)C)C1	2321637227	PZDJSEUJXRLCEY-DZGCQCFKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cccc(C(C)C)c2F)C1	2327807214	CZQXJSSJXGPLCZ-OLZOCXBDSA-N	249.373	4.940	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC23CC3)c1F	2327807502	HREOBMMMRNXQNU-CQSZACIVSA-N	247.357	4.694	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H](C)c1ccc(C)cc1	2328270209	XELUQPIFNDTARS-YQQAZPJKSA-N	247.426	4.642	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccccc1Cl	19999369	CMSWDVUJQJYIRE-NEPJUHHUSA-N	239.790	4.967	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1ccc(Cl)s1	20482667	MPVMMVHZSZVTMR-JOYOIKCWSA-N	245.819	4.618	0	10	BJAE	
CC[C@@H](NC1CCC(C)CC1)c1ccc(C)cc1	21048881	WRQZGBZPICDBFZ-BDVYOWHSSA-N	245.410	4.614	0	10	BJAE	
CCCCC[C@H](NC)c1c(C)c(C)cc(C)c1C	35491080	IEOJFNSLOIJJBS-INIZCTEOSA-N	247.426	4.761	0	10	BJAE	
CCCCC[C@H](C)NCC[C@@H]1CCC[C@H](C)C1	70538038	NMNWTGLIKOPYMR-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
C1CCCCCC([C@H]2CCNC2)CCCCC1	79902897	DWBSXNWRNNIIMT-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CCCCCC[C@H]1CCCC[C@H](NCCC)C1	80415313	RTGUJRJGCZCUNG-HOTGVXAUSA-N	239.447	4.905	0	10	BJAE	
Cc1cc(-c2ccc(C(C)C)cc2)cc(Cl)n1	84074798	XYTXSDWANBVVHA-UHFFFAOYSA-N	245.753	4.834	0	10	BJAE	
C[C@H]1CC[C@H](NC(C)(C)CC(C)(C)C)C[C@@H]1C	84985628	VWKAJZGDFIBQMF-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
CC(C)c1ccccc1O[C@H]1CCC[C@@H](C)C1	85151587	KILSWEHVVBXSHC-KGLIPLIRSA-N	232.367	4.768	0	10	BJAE	
CCC[C@@H](C)C[C@H](CNCC)c1ccccc1C	93104476	JQPYAMSOIHYMJD-GDBMZVCRSA-N	247.426	4.514	0	10	BJAE	
CCCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1NCCC	103939018	RLILLXAIOGSKCK-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(OC)c(C)c1	109931850	NIEXGZMSVGBFON-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(C)nc2ccccc12	110385336	VMOIXNNTLGRMBH-GFCCVEGCSA-N	242.366	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1cccc(Cl)c1	122138081	KBQHVHPSIFRRCZ-SMDDNHRTSA-N	239.790	4.556	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1cc(C)oc1C	124918686	SUCFUQHOTZKXIB-DZGCQCFKSA-N	237.387	4.503	0	10	BJAE	
CC(C)CCC[C@H](C)NCCC1CCCCC1	125031531	WUBWLCNCKHBHCQ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCc1csc(C2CCC(CC)CC2)n1	132081252	PKJOOEWUVBXSPZ-UHFFFAOYSA-N	237.412	4.779	0	10	BJAE	
Cc1cc(C)c(-c2ccc(Cl)cc2N)c(C)c1	132098593	GGSMHBWHXIKGNX-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCC(CC)C[C@H](NC)c1coc2ccccc12	148699049	SWRPDQITXBFAAV-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CCC(CC)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	150033180	AEAPIQJCYJFODZ-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CC1=CCCCC1	161040526	XVUZPIRJMUWTLC-HOCLYGCPSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCC[C@H](C(C)C)CC1	165635073	YQOPGKHGTKFPKA-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@]1(O)CC[C@H](C)c2ccccc21	165658213	ZTFZPNBWVASPDD-YOEHRIQHSA-N	246.394	4.598	0	10	BJAE	
CC(C)(C)CC(=O)c1cccc(C2CCC2)c1	168867532	QPLRNUYHKLYIEX-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
c1ccc(Cc2ccc(-c3ccccc3)o2)cc1	205306433	KLXWQHRNLNDYHW-UHFFFAOYSA-N	234.298	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](NC)c1ccc(CC)cc1	211794672	GZAITNUYYAPHIT-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
Cc1c(Cl)cccc1[C@H](O)CCC(C)(C)C	220552633	LXJVBNMYMQVWGK-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@@H](C)[C@@H](C)C2)c(C)c1	220561983	YLPIEAPVABRACJ-IPYPFGDCSA-N	231.383	4.540	0	10	BJAE	
CC1(C)CCC[C@@H]1c1nc2c(Cl)cccc2[nH]1	226620987	FQSOHVRHKYJWJP-SECBINFHSA-N	248.757	4.510	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1NCCC1=CCCC1	228568661	QGRJTOSRBGMARE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)[C@@H](C)c2ccccc2)C1	234084127	YEFRWSKIGAOVEQ-DZKIICNBSA-N	244.378	4.576	0	10	BJAE	
Clc1cccc2c(CC3CCCC3)c[nH]c12	236070722	FLMDEOIAKDWZIH-UHFFFAOYSA-N	233.742	4.554	0	10	BJAE	
Fc1cc(F)c2[nH]cc(C3CCCCCC3)c2c1	236202880	GSQUKJMYZQZMOK-UHFFFAOYSA-N	249.304	4.884	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@H](C)CC)CC1	251349413	NNAFXUFWQFYDPT-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(C)o2)CC1	251875787	UTZIFOFGHRHHEA-RBSFLKMASA-N	249.398	4.598	0	10	BJAE	
CCSc1ccc(-c2cccc(NC)c2)cc1	259181704	JURUBJOPNYULGB-UHFFFAOYSA-N	243.375	4.507	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](C[C@H](C)CC(C)C)C1	302265473	CIAUFJAFWUBNFK-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C[C@@H](C)CC(C)C)c(C)c1	305912590	FZQUGIHRXKNXCR-LRDDRELGSA-N	247.426	4.684	0	10	BJAE	
CCN[C@@H]1CC[C@@](C)(CCC2CCCCC2)C1	305913781	GHXKKIDKVDRZLH-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@H](C)CC(C)C	305928393	JELLFTNHXQGXEW-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CSc1cc2ccc(Cl)c(Cl)c2s1	307296617	RWSKLOXMJBVJSJ-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](CCCC(C)(C)C)C1	309996206	ZWRBDAATHBYOOB-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(N)CCCCCCC2)C1	310227539	OCFDLASGTUQTKU-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCCCC[C@@H]2O)CC1	310504919	KFQYZLNRHPCFJH-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1ccccc1C(C)C	310836382	LJMYCZQQPUXQQT-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
CC1(CCN[C@H]2CCC23CCCCC3)CCCC1	311004936	IZBJNBSMHRSNRH-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@H]1CCCC12CCCCC2	313022414	TZEBEQLTYOFHMB-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)[C@@]1(CNC(C)C)CCCC[C@@H]1C	318121314	VPQYKWYBHPPMBI-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1ccc(C(C)(C)C)cc1	320013493	FFSKEVFPORGAIF-STQMWFEESA-N	246.394	4.849	0	10	BJAE	
CCC[C@@H](N[C@H](C(C)C)C1CC1)c1ccccc1	324478824	BMNMSEIXRODKDW-IAGOWNOFSA-N	245.410	4.552	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)CC(C)(C)C	384602498	NVHPJJZMCPNSJB-KGLIPLIRSA-N	227.436	4.760	0	10	BJAE	
CC[C@H](N[C@@H](C)CC(C)(C)C)C1CCCCC1	385202999	RACNNZCDVBXYJD-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CCC)c1ccc2sccc2c1	386510889	BXIJDQRXQNSMRG-CQSZACIVSA-N	247.407	4.742	0	10	BJAE	
Cc1cscc1N[C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2	387244258	XQMSXPJLTINYIF-CORIIIEPSA-N	249.423	4.683	0	10	BJAE	
CCC[C@@H](C)/C=C(\CNC1CC1)C1CCCCC1	394085504	VPBCPSLOEBFVTA-RGHBXIHOSA-N	249.442	4.681	0	10	BJAE	
CCNCC/C=C(/C)CCCCCC(C)C	394773169	VIWBMIIHTCIANV-QINSGFPZSA-N	225.420	4.539	0	10	BJAE	
CNC[C@@H](CCCCCC(C)C)c1ccccc1	394871269	SNHUIQXAGYGEOR-QGZVFWFLSA-N	247.426	4.596	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CC)C1CCCC1	395616371	GQCQWBYQXDPISY-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
CCc1ccc2c(C(F)F)csc2c1F	396196486	KKLDZWCMVNJWHL-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1c(F)sc2cccc(C(F)(F)F)c12	396300365	PFAHRLKOSJGYAO-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1c(C)cc(C(F)(F)F)c2ccsc12	396310440	VOEPROCRYSRYRL-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CSc1cc2sccc2c(C)c1C(F)F	396414324	ZSWVRDJDCGODRR-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@H]1CC[C@@H](C(C)(C)CC2=CCCC2)C(=O)C1	401096280	ZSVJALIXUQKSHC-GXTWGEPZSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C1(CCC)CC1	402374267	UJFHILPMSNXECO-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc2c(c1)CCCC2	404645377	NVLLHVXENYKXHQ-CQSZACIVSA-N	245.410	4.946	0	10	BJAE	
CCC(C)(C)CCN1CCC[C@@H]1c1ccc(C)o1	441378673	NWLHVEDKPAIKKX-CQSZACIVSA-N	249.398	4.551	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccc(C2CCC2)cc1	690160804	JVZSEHNHRNTNHH-GUYCJALGSA-N	243.394	4.945	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCCCC[C@@H]2C)c(C)c1	691136511	IAPMMQKTJHLSSG-BBRMVZONSA-N	245.410	4.993	0	10	BJAE	
CCCCCC(=O)c1cccc(C(C)(C)C)c1	691696022	GGFYBEKGSMILOD-UHFFFAOYSA-N	232.367	4.747	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC2CCC3(CC2)CC3)CC1	695701255	SJWMZTRJUNQUCU-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)CCC(C)(C)CC	696598673	MSWWPEGAHPPXEH-HZPDHXFCSA-N	248.410	4.758	0	10	BJAE	
CC1(C)CCC(C)(C)C1NCCC1=CCCCC1	699627760	ZSZKTXQOARLTQS-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)[C@@]2(C)CC2(C)C)cc1	702218979	KWQVGLVVTCHUMM-QGZVFWFLSA-N	244.378	4.603	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(CC2CCC2)CC1	703888658	ODZLCXQBOQWPLE-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](O)c1cccc(C2CCC2)c1	703968105	IWIYCQJXUZVEGN-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCC=C(C)C)NCC	704906551	JAAFAZLMAYJJHQ-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)CCC1CCCC1	707542848	CEBPMTLVGLRJHJ-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@@H](C)CC(C)(C)C	708251075	UIUXKPPHXXDDRQ-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)c1cscc1Cl	710451489	IOOIIZSYQYNCLG-LDYMZIIASA-N	246.803	4.507	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@H](C)C(C)(C)C	711182110	INCCBGGOKDIFLO-BBRMVZONSA-N	241.463	4.863	0	10	BJAE	
CCc1ccc([C@H](O)C[C@H](CC)C(C)(C)C)cc1	711212617	VLEZNOWECBVMJR-JKSUJKDBSA-N	248.410	4.745	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1NCC[C@@H]1CC=CCC1	713027660	XVZVNSKNFUJSSO-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](O)(CC(C)(C)C(C)C)[C@@H]1CC1(C)C	713258031	LNODBOWUQICXKM-CZUORRHYSA-N	240.431	4.636	0	10	BJAE	
CC/C=C/C[C@@H](C)c1cc(C)ccc1C	714521195	IERUVTRANXWWCW-KTRBRXNASA-N	202.341	4.763	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CCC(C)=C(C)C	718507065	NCKXINKXUQKVBD-CVEARBPZSA-N	239.447	4.913	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C[C@@H](C)CC	718590221	SPKVNURDNZQGAV-GOEBONIOSA-N	239.447	4.927	0	10	BJAE	
CC(C)=C(C)CCCc1c(F)cccc1F	718785824	GUKVIUMFCJDPTL-UHFFFAOYSA-N	224.294	4.644	0	10	BJAE	
C[C@@H](C[C@@H](N)CC1CC(C)(C)C1)CC(C)(C)C	723568797	QHBBEOGURGOLIB-GXTWGEPZSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCC3(CC3)C2)cc1	723569209	PHMOVYWQGBHPKH-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CC(C)=CCC/C=C/COCc1ccccc1	888086666	YKGUPQVXXUSBBJ-RUDMXATFSA-N	230.351	4.506	0	10	BJAE	
Cc1cccc(S[C@H](C)c2ccc(F)cc2)c1	1165592772	GFEUTRCLIZYFCC-GFCCVEGCSA-N	246.350	4.987	0	10	BJAE	
CCCCCCc1cccc(SC)c1	1889470376	QIIJGFXZEBHMFJ-UHFFFAOYSA-N	208.370	4.531	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H](C)[C@H](C)C(C)C	1901648634	FXEUECIRJGGNQH-RBSFLKMASA-N	228.420	4.636	0	10	BJAE	
Fc1cccc(CCCC2=CCCCC2)c1	1901956129	KJSZLWKIUCWGAU-UHFFFAOYSA-N	218.315	4.649	0	10	BJAE	
Cc1cc(NC[C@H]2CC[C@H]2C(C)(C)C)cs1	1902742827	SHTLJZVKWACHKN-DGCLKSJQSA-N	237.412	4.541	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H](CCC)C(C)C	1905451449	VLQIBYIHDYODGJ-ZIAGYGMSSA-N	226.404	4.844	0	10	BJAE	
C=CC=CCC[C@@H]1CCCCC[C@@H]1CNC(C)C	1911939701	XSOHWTMRBCDNIS-IAGOWNOFSA-N	249.442	4.703	0	10	BJAE	
CCCCC[C@@H]1CCCCCCCCC1=O	1913390998	TWIRXBDQOAPMRT-CQSZACIVSA-N	224.388	4.886	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCC3(CCCC3)C2)C[C@H]1C	1916439856	BOWKROMMLJFMIG-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@](C)(N)c1ccccc1C(C)C	1920184261	CMCIPDUHJQPSJL-KRWDZBQOSA-N	247.426	4.954	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1C=CCCCC1)NCC	1925900551	HEEHFOXGMWNKLH-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)C[C@@H](CCC(C)(C)CC)NC	1926340484	YABTXLZSPAPIRX-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CCCC(C)(C)C	1936206923	LZZRPCSYVRJHBK-KBPBESRZSA-N	227.436	4.602	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](CC)c1cccs1	1937268284	PJNOCHVTJDLHLX-OLZOCXBDSA-N	239.428	4.615	0	10	BJAE	
CC(C)C[C@@H](O)C1CCCCCCCCC1	1938722199	JIJUQZBOIQQKRT-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C[C@@H](C)[C@H](C)CC)NCCC	1939110107	DJNFGCDMTWYQNO-RBSFLKMASA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)C[C@@H](C)CC	1941591856	OVNAVPPDAOZNOP-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@H]2C[C@H]2CC1	1941875952	OEOGBGJJYGLMEK-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC)C(C)(C)C1CCCCC1	1944631069	IQEHSFQBYQZWRY-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@H]1CCC(C)(C)C1	1945581320	FEYPMFFEPSPUPW-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC[C@H](F)C1)CC(C)(C)C	1946952224	HUUNVTNOWYDCRE-UPJWGTAASA-N	242.378	4.546	0	10	BJAE	
CCC(C)(CC)[C@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948596203	NQWNAUYQURSUPC-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)c1nc2c([nH]1)[C@@H](C)CC[C@H]2C	1949762646	RIAKKXNVJRUDHL-TUAOUCFPSA-N	234.387	4.560	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H]1CCC[C@@H](C)CC1	1950930761	REFDAPVMQWGFMR-QLFBSQMISA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1cc(Cl)cc(Cl)c1	1959209030	MXKOVLRNWRHTLR-QPUJVOFHSA-N	244.165	4.594	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2C[C@H]3CCCCC[C@@H]3C2)C1	1966072311	MEEBTKSWBYMCQR-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](NC[C@H](CC)C(C)C)c1cccc(C)c1	1973388422	XCHMPENZFLAFAZ-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1973573147	KHUDCCDACZSXRO-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC(N[C@@H](c2ccccc2)C(C)C)C1	1973589576	IKFZQHSOFUGGSF-AQFXKWCLSA-N	245.410	4.552	0	10	BJAE	
CC1CCC(c2csc(C(C)(C)C)n2)CC1	1975980238	SZEATTHEWUVOFP-UHFFFAOYSA-N	237.412	4.734	0	10	BJAE	
CC(C)=CCCC[C@@H](O)c1cccc(Cl)c1	1980682194	RSCBAXVVSXFTCK-CQSZACIVSA-N	238.758	4.510	0	10	BJAE	
CCC[C@H](C)CC[C@H](N)c1ccccc1Cl	1980684036	BDEPBZISOCEZHJ-FZMZJTMJSA-N	239.790	4.556	0	10	BJAE	
CCC(CC)CC1(O)CCC(C)(CC)CC1	1981064873	DCOHLNZHVVYLJN-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](CC)NCCC(C)=C(C)C	1990041941	YMYGFDQZSZCLAU-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)CC(C)(C)C	1990097394	CISDUHGYCOCZLX-KBPBESRZSA-N	227.436	4.760	0	10	BJAE	
CCC(C)(C)CC(=O)CCCCC(C)(F)F	1993604790	OVORWPPXYALYHG-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC(C)(C)CC1=O	1993757115	BMNLMTGBWOCTSM-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC1(N[C@@H]2CC[C@H](C)[C@H](C)C2)CCCCC1	1995691912	UZPNRHDVBJVBEB-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CCN[C@@H](C)C1CCC(C)CC1	1996552319	LFRCHBMEIVTKMJ-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C1CC(C(C)(C)C)C1	1998234774	MWFFATNLJWYOAW-YMAMQOFZSA-N	237.431	4.523	0	10	BJAE	
CSc1ccccc1N[C@@H](C)C1CC(C)(C)C1	1998649003	GSFDINRKKRMLLV-NSHDSACASA-N	249.423	4.645	0	10	BJAE	
CCCC[C@@H](C[C@@H]1CCC=CCCC1)NCC	1999991003	OCJRCYCLUPZZIX-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@](CC)(CN)[C@H]1CCCC(C)(C)C1	2000483127	KAXXWRNGDJHHRS-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CC23CCCC3)s1	2001231950	PDTNJGXDJRLEKY-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CC2(C)CCCC2)C1	2002978860	MCAIXQZBUNJDAO-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CCC2=CCCCC2)CC1	2003069022	RGUZMSWJOKGNLG-CTYIDZIISA-N	234.383	4.662	0	10	BJAE	
CCCC(CCC)CNCC1CCCCCC1	2004717154	FERFENNXRFCGJU-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@@H]2CCC[C@@H](C)C2)C1	2006675007	XEXFOMVHALDXES-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C)(C(=O)[C@@H]2CCCC[C@@H]2C)CC1	2007681875	RNPBTOCBGRPPQO-IOSBVQAASA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)C1(C)CCC(C)(C)CC1	2007683783	VDLRLWCXXBORGT-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H](CCC2(C)CC2)Nc2ccccc21	2009549892	VWMHBBGWAACPET-CHWSQXEVSA-N	229.367	4.555	0	10	BJAE	
CCC(CC)C[C@@H](O)C1=CC[C@@H](C(C)C)CC1	2010716516	WOZYVMPZRZTFJO-GDBMZVCRSA-N	238.415	4.556	0	10	BJAE	
c1ccc(CCCCC2CC(=C3CC3)C2)cc1	2011088941	JETWVYPVPZCCGS-UHFFFAOYSA-N	226.363	4.900	0	10	BJAE	
CCCN[C@@H]1C[C@@H]([C@H](C)CCC)CC(C)(C)C1	2012041431	KQTZJKVCEXOOCL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(=O)c1oc(-c2ccccc2Cl)cc1C	2012054075	NWNFEFSTIZWWGM-UHFFFAOYSA-N	248.709	4.501	0	10	BJAE	
CC1(C)CC(=O)C[C@H](CC2CCC=CCC2)C1	2012084797	RNVXMKMJEOLDDE-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](C)c1cc(C2=CC[C@H](C)CC2)cs1	2013608218	RSRCGBVGDURFBF-RYUDHWBXSA-N	249.423	4.622	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@](C)(N)C1(C)CCCC1	2014341395	YVYDGUJSAWYOIE-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCNC[C@H](CCC(C(C)C)C(C)C)C(C)C	2015343105	BOZZDRWSLTXHNA-HNNXBMFYSA-N	241.463	4.577	0	10	BJAE	
CC(C)NC[C@@H](C)[C@H](C)CC(C(C)C)C(C)C	2015411441	ZUXTYLQJFRHUOO-HUUCEWRRSA-N	241.463	4.575	0	10	BJAE	
CC[C@H]1CC[C@@](N)(CC2(C(C)(C)C)CCC2)C1	2017149347	ZCJCIPYKALVXEY-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C1([C@@H](O)CCCC2CCC2)CCC1	2017153712	AJWPYDJFJGHFBK-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O	2017461293	IGEOHFBQMXMCSB-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)C(C)=C(C)C	2017476870	BRLPKYBOPBYKCC-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C2CC(CC)C2)CC1	2017658301	LPBMKZMVZLCRGU-GZYXLSHKSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCCC[C@@H]2C)CC1	2017731619	UCWNVFRLDQYPMC-SLTXQBBLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C)CCNCC)CC1	2017738423	ORDSOVPLCGHPIV-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H]1[C@H]2CCCCC[C@H]21	2018136516	MANKSKPYJHGXEF-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC(=O)c2ccc(C(C)C)cc2)CC1	2018922179	DVWFIZCDBKTKSZ-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCC1CCC([C@@H](N)CC2(CC)CC2)CC1	2018996414	UFKCRLMDVDQJLG-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@@H](C)CCC(C)C)C1	2019200345	GYDONWGRYKAQQD-XHSDSOJGSA-N	239.447	4.712	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H](C)C1CCC1	2019858739	NLVSMCBFWDGISA-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2C[C@@H]2C(C)C)c1	2022478120	QWEZOGITHMJIKI-GOEBONIOSA-N	231.383	4.514	0	10	BJAE	
C[C@H](C[C@H](N)CCCCC(C)(F)F)C(C)(C)C	2023278177	IHMHAOOCTQTIEU-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
CC(C)C[C@H](CN)CC[C@H]1CCCC(C)(C)C1	2024096049	UFHHYOKFNCJIIW-HUUCEWRRSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)c1cc(C)c(C)o1	2027737980	VDEFDPFWCVRJHB-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
CCCCc1ccc([C@H](O)[C@@H](CC)C(C)C)cc1	2028231686	HJVNFHCDUTWOHX-IRXDYDNUSA-N	248.410	4.745	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C)[C@@H](CC)C(C)C	2028250731	AANXKHJRUTWTKB-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
C[C@](N)(CCCCCC1CC1)[C@]12CCCC[C@H]1C2	2028643650	KTNCERBNRQHRHR-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C2(C)CC(C)C2)c1C	2029108696	RGHPJCNAVAWUGL-UHFFFAOYSA-N	244.378	4.539	0	10	BJAE	
C[C@H](NCC1(C2CCCC2)CC1)C1CCCCC1	2029738023	LUALQMCHJHZLPJ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](N)(CC2CCCCC2)C1	2030280064	SWWVEDIUEDQDLO-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)[C@](C)(N)c1ccc(C2CCCC2)cc1	2031749273	GYQUKYQXROTNJN-DYVFJYSZSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)[C@@H]1CC12CCC2	2032134414	HLEOCKDKBIMGJO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@]1(C)CN[C@@H]1CCCC2(CCCC2)C1	2034363344	LTONDFHTWFEMMM-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NC[C@H]2C=CCCC2)CC1	2035566269	TZHHZADICLHTQH-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCOc1ccccc1N[C@@H](C)[C@H](C)CC(C)C	2036382432	LTOUXBCMTZJYIF-KGLIPLIRSA-N	249.398	4.568	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCC2=CCCCC2)CC1	2037171193	CRCSWGBMJWFPJD-DOTOQJQBSA-N	249.442	4.955	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1C=CCCCC1	2037273140	MZXCOHFGMDERQO-BBWFWOEESA-N	249.442	4.811	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(C[C@H]2C=CCCC2)C1	2037305755	USHHXKZAWBTMTJ-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)[C@H]1CCC2(CCCC2)C1	2037706949	ZJFVWTQIMRMZPW-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc([C@H](C)CC(C)(C)C)[nH]c21	2038009821	MVZLWSKSSDTTMQ-GRYCIOLGSA-N	248.414	4.950	0	10	BJAE	
CCCN[C@@H](CC(C)(CC)CC)c1ccccc1	2038130972	KRRGJQDPDQENCG-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCC2(CC2)C1)C1CCCCC1	2038571211	INSRTNQGQFIIOL-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC1CCC2(CC1)CC(N)([C@@H]1CCCC[C@@H]1C)C2	2038939837	HAUGTSUETYPNOX-CHTYNLMKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(N)CC2(CC(C)(C)C2)C1	2039463104	BLCZHRHNAARNOZ-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC[C@]12CCCC[C@H]1C2)C1(C)CCCCC1	2039861343	DPHZZOJQAPZLCK-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC[C@H]1C)C12CCC(CC1)C2	2039865637	QOFLBBGBEAHPTB-QSFKDOLUSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](N)(CC1CCC=CCC1)C1CCCCC1	2040651258	QFFJCMJEDUEEFL-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
C[C@@H](C(=O)c1ccc(CC2CC2)cc1)C(C)(C)C	2040731988	BKFHZWRVBPKHIT-LBPRGKRZSA-N	244.378	4.504	0	10	BJAE	
CCN[C@H](CC1CCC(C)CC1)C1(C)CC=CC1	2042019598	PMELWRYBQRGMGD-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CN(C[C@H]1CCC=CCCC1)C1CC1	2045312739	QCGIBGKQNPLLQT-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
N[C@]1(C[C@H]2CCC=CCCC2)CCCC12CCC2	2045320484	NEPJMKOKLWAUIO-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC[C@]3(C)CCC[C@H]23)C1	2045528978	HLBSKTUCCABOMV-ZOBUZTSGSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1C[C@H]1c1ccc(C(=O)CCC2CCCC2)o1	2045561005	CCIPVNNQYISLEL-DGCLKSJQSA-N	246.350	4.556	0	10	BJAE	
C1CCCCC(NC[C@@H]2CCC[C@@H]3C[C@H]23)CCC1	2049669071	GNVGSOZJHADZIY-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C[C@]1(CNC2CCCCCCCC2)C=CCCC1	2049678268	KVAOXRBXYSZCNX-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)C[C@@H]1CCC2(CC2)C1	2049854581	HJMXTGGRTHGYPK-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@@H]1CCCC2(CC2)C1	2049856930	PDJIRXDAYJNGTE-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@H](O)CC[C@H]2C=CCCCC2)cc1	2050441253	LMQNVRPCDOOQDV-DOTOQJQBSA-N	244.378	4.555	0	10	BJAE	
CC1(CNC[C@H]2CC=CCC2)CCCCCCC1	2052506343	WTQRGSACVOAYDC-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
FCc1ccc(NC[C@H]2CCCC3(CC3)C2)cc1	2055638263	XXKRNEUDELIKSL-AWEZNQCLSA-N	247.357	4.538	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)C2=CCCCCC2)CC1	2056556409	IAGVCWIZYWILTG-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
CCC[C@](O)(C=C1CCCCC1)c1ccccc1	2056862522	JTGFMYXORHPYLK-KRWDZBQOSA-N	244.378	4.565	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2CC(C3CC3)C2)CC1	2058992082	OQPIJIYTJFMOMG-HNFVBEJKSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@H]1CC[C@H](C)C1	2060924472	FFRPGHQPDVCNEQ-NXNVCVFFSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)C1CCCCCCC1	2060926577	RYHDXULAKMELGR-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)CC1CC(=C2CCC2)C1)C(C)(C)C	2061700750	YVPHANOTGCPGPS-GFCCVEGCSA-N	248.410	4.908	0	10	BJAE	
CC(C)Oc1cccc(CC2CC(=C3CC3)C2)c1	2061717844	CMHOFSFBLOTTHB-UHFFFAOYSA-N	242.362	4.517	0	10	BJAE	
C[C@@H](C(=O)CC1CC2(C1)CC(C)(C)C2)C1CCC1	2063211194	NHFOZCHJFHMMPC-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H]1C[C@H](NCC)CC2(CCC2)C1	2063629353	ZDBDZGIORDXYIO-TVKHYIBRSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC[C@H]1C)c1occc1C	2063677159	FRTSOZMJYZISMP-VHDGCEQUSA-N	249.398	4.598	0	10	BJAE	
C[C@@H](NCCC12CCC(CC1)CC2)C1(C)CCC1	2065267370	HKQQGWMCMDGJPF-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC12CCCC2)C1(C)CCCC1	2067571838	WREKEYGSCQRMLL-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](Nc1cccc(C2CC2)c1)[C@H]1CCC1(C)C	2068288748	SBMBUIICJWUZCF-MLGOLLRUSA-N	243.394	4.801	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CC(C(C)C)C(C)C)c1	2068839670	APBQYWHAVYKCSV-QGZVFWFLSA-N	248.410	4.655	0	10	BJAE	
CCCC1(CC(=O)C[C@@H]2CCC[C@@H]3C[C@@H]23)CCC1	2069282077	GEMKIPGXGZOEEC-LZWOXQAQSA-N	248.410	4.742	0	10	BJAE	
CCCC1(CC[C@@H](O)c2ccc(C)cc2)CCC1	2069330361	HBGXOXJVCHPVNX-MRXNPFEDSA-N	246.394	4.779	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@]2(C)C=CCC2)CCC1	2069343205	XCRYLNHJGFLOJO-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc2c(c1C)CC[C@@H]1CC[C@@H](C)C[C@H]21	2070297105	DRWFBVVVAVRLNH-WHCBVINPSA-N	228.379	4.769	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H](C)C2CC=CC2)CC1	2070815600	SVKHSNSAHQPMDK-ZMSDIMECSA-N	249.442	4.680	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C[C@@]23CCC[C@@H]2C3)C1	2070968918	XOMAVIMIVZRVIU-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)C2CC3(CCC3)C2)CCC1	2071918497	DAYDYUNTYQSXMZ-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](C)(NC[C@H]2C=CCCCC2)C1	2072607690	JRRFQCXCTPMDNS-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@H]2CCC3(CCC3)C2)CC1	2072682818	YBRWFOALLHOAGU-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@H]3CC[C@H]32)CC1	2072801766	QQBZQDDIHXUHII-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H]2CC[C@H](C)CC2)cc1C	2072805695	FAIRZZMDZFGZEQ-NUTKFTJISA-N	245.410	4.520	0	10	BJAE	
Cc1ccc(F)c(C(=O)C[C@H]2CC[C@H](C)CC2)c1	2072874605	DAXCOVFOBFCYFL-AULYBMBSSA-N	248.341	4.533	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2C[C@@]12CCCC[C@@H]1C2	2074004100	QJYGKEKGBRGKKA-CKEIUWERSA-N	241.378	4.556	0	10	BJAE	
C(CCC1CC1)CC[C@H]1CCNC2(CCCC2)C1	2074143075	YCLQPPZUWOGSMQ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCC1CCC(N(C)[C@@H]2C=CCCCC2)CC1	2075404986	IACUKKHEPOCCHO-AQFXKWCLSA-N	249.442	4.776	0	10	BJAE	
O=C(CCC[C@H]1C[C@@H]1C1CC1)CC1CCCCC1	2075818046	QKDOHWLANNQPJR-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C[C@@H]1C1CCC1)C1CCCCC1	2079326382	ZSGSDNVRLMZMKG-WQVCFCJDSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)n(C[C@H]2C[C@@H]2C2CCCCCC2)c1	2079815094	QBKOASUGBAAZEU-IAGOWNOFSA-N	245.410	4.711	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC[C@]12CCC[C@@H]1C2	2081777510	FEYZFPAVPQGKAE-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2C(=O)C[C@H]3CC[C@H]2C3)C1	2082981156	BAJGQNOFTNMPPA-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1C2(CCC2)C12CCC2	2083556035	AHCUTBSBUBRCSI-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](Nc2ccc(C3CC3)cc2)C1	2085245097	QPVGAJMZHVNTCS-NVXWUHKLSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H](C)c2ccc(C)c(C)c2)C1	2085252225	MMOKRQVEGWLQCU-BFYDXBDKSA-N	245.410	4.533	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C[C@H]2CC23CC3)cc1	2086418726	PKJKKOFDNPPBKD-WFASDCNBSA-N	242.362	4.573	0	10	BJAE	
CCC[C@](C)(N)CCCCCCCC1CC1	2212451506	VMZCEPXKFLWJHH-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
Cc1ccc(CC=Cc2ccccc2)cc1Cl	2213824076	BGDGZTLUSQCWOM-UHFFFAOYSA-N	242.749	4.904	0	10	BJAE	
CCCCC[C@H](CC1(C)CC(C)(C)C1)NCC	2215402171	TYMVZDPXUGNVJC-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC1=CC[C@](C)(NC[C@@H](C)CC(C)(C)C)CC1	2215797090	YQJPUGQPFOWOBD-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CCCCCCCC1CC1)[C@@H]1CCCN1	2216878967	GOTLHFYTKRHEDW-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCc1cc(Cl)ccc1NC1CC(C2CC2)C1	2217243422	YADKJUACENQCEL-UHFFFAOYSA-N	249.785	4.503	0	10	BJAE	
CCC[C@@H](N[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218331189	CZJDXOLOVMGEFU-YQFWSFKMSA-N	249.442	4.514	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218355429	BZFJZLSOVLILDW-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CC=Cc1ccccc1	2219067323	SWJNOVPITSIKNE-IAGOWNOFSA-N	246.394	4.523	0	10	BJAE	
CC1(CC(=O)CC=Cc2ccccc2)CCCC1	2219080054	FNOPCHBOGGUQCT-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@@H]1CCCC12CC2	2220045380	JRTBPIIONOHNDK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@@H]1C(C)=CCC[C@H]1C	2220048965	YHBGICZDQADXJT-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@H]1CCC1(N)CC2(CCC(C)(C)CC2)C1	2220877768	PHQVKMWRMSENFG-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCOc1ccc(C(C)(C)C)cc1	2220960518	MJSGDSNWSGSYOA-ZIAGYGMSSA-N	246.394	4.799	0	10	BJAE	
CCC[C@](N)(CC1(C)CC2(CCC2)C1)C1CCC1	2221038494	GDHOWRIWSNKYKR-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCC1CC(C[C@@H](N)CC2(C)CC3(CCC3)C2)C1	2221039622	KAJNLJXMRKOSGW-YMAMQOFZSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CN(C)CC2(C)CCCC2)CC1	2221606575	HFTWAJWXHGPRKX-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CCC[C@H](NC[C@@H]1CC=C(C)CC1)[C@H]1CC1(C)C	2221660956	DDCXHSNIUIWJIP-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)[C@]1(CNC2CCC2)CC12CCCCC2	2223597763	RLWYGPZTFPKNBR-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H](CC)CCC	2244782446	MRWRYJKJMHFCTF-RRFJBIMHSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(Cl)cc1C	2244804651	WGWCXHVKTQZCEZ-LBPRGKRZSA-N	239.790	4.887	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)CCC2CCC2)C1	2246676968	ANEYIFDQLIHDEF-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCC1([C@H](N)CCCC[C@H]2C[C@H]2C)CCCC1	2247126240	CHCPHFBNJGZLAL-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC)CCC[C@H]1CCCC12CC2	2247600433	JSXNVERUUPWHQM-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)c2ccc(C3CCC3)s2)C1	2250280401	SSVRPBXCZBLOHW-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC1CCC2(CC1)CC2	2250352184	JXDMITYJYYFOFB-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1(CCC)CCC1)NC	2250358763	APXCVVQVRSYUQE-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@@H](C)C1(C)CC1	2250526673	GGMYJHIYMNAWAX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NC1CC2(CC(C)C2)C1	2254153053	GOOUWTHOUBNCEF-MWMRAWMSSA-N	249.442	4.514	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C2CC3(CC(C)C3)C2)CC1	2254491045	IQUCPDOSINKQGS-DZTUWMGKSA-N	246.394	4.518	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@H]1CCC12CCC2	2254988541	LPDGXUJDZJASIB-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
CN(CC1=CCCCC1)[C@H]1CCCCC12CCC2	2255206956	FAEWVNLCMUYRGO-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
C[C@@H](NCC1CCCCCCC1)[C@H]1CC12CCC2	2256447311	ZUISPHVTDVRJLR-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@@](N)(CCCCCCC1CC1)[C@@H]1CC12CCC2	2256491923	YMNDHIJYPPSZCS-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C12CCC(CC1)C2	2257244973	GMODEKVWXNUOEJ-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC[C@H](O)c1ccccc1	2257251526	GYPSLOANSLMCKD-PVAVHDDUSA-N	246.394	4.717	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1cccc(C(C)(C)C)c1	2257960478	CZUXSZQGUXLXAZ-KGLIPLIRSA-N	245.410	4.832	0	10	BJAE	
C[C@@H](CNc1cc(C2CC2)ccc1F)C(C)(C)C	2259126558	NGPRMMAZDSCNSM-NSHDSACASA-N	249.373	4.797	0	10	BJAE	
CC[C@@H](C)C[C@H](N)c1cccc(C2CCCC2)c1	2260725087	KOCYCIRDKKNOAU-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CCC1(C(=O)c2cccc(C3CCCC3)c2)CC1	2260734846	DARLKIIUNOSUIU-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
C[C@H](CC1CCC1)N(C)C1CCCCCCC1	2298880383	CLMRMIYEKBRHSO-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CCC(CC)CC[C@H](C[C@H](C)C(C)(C)C)NC	2300683461	JVNAJBCUAKBLQO-DZGCQCFKSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)CC1CC(C)C1	2300899845	RRXAAUGUOTWTJU-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@H]1CCCCCN1)CCCC(C)C	2300907576	UUSWMHWVDTUSKV-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CCCCCC2)[C@@H]1O	2301137781	NGMWUIJCYDPBHR-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)CC1CCCCCC1	2301144322	CJASGQJAPXXYBT-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)CCC1=CCCCC1	2301937401	DWABCGOTNYAITB-INIZCTEOSA-N	236.399	4.764	0	10	BJAE	
CCN[C@@H](CC)c1ccc(C(CC)CC)cc1	2302242884	VGURGAJGWHBHCS-INIZCTEOSA-N	233.399	4.651	0	10	BJAE	
CC[C@H]1CC[C@@](O)(CCCC2=CCCCC2)C1	2302325584	IRENKGSWAUCCJY-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@H]1CCC(C)(C)C1	2302896240	PQLHICAUGMEEKD-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1C[C@@H]1C1CCCC1	2307926740	QLXATHUODBNAPV-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1CCC[C@@H]2CC[C@H]12	2309518477	WBCQNVLZSIYLPD-ORQFMDKSSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](N)(C[C@@]12CCCC[C@@H]1C2)[C@H]1CC1(C)C	2311148227	SGUQPZQBYITRII-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CCC[C@@H]2CCCC[C@H]21	2311969269	RCPHQJIKFOXTBH-MWDXBVQZSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H]([C@H](C)CC1CC1)[C@@]1(C)C=CCCC1	2313607944	HESZFJSXGINRGX-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)c1ccc(C)cc1C	2316277140	GZGDKFGCPKZMHR-QGZVFWFLSA-N	247.426	4.694	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316696808	DHJDWWQRCYNDHS-QMCVQRASSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCCC1CC1)C[C@]12CCCC[C@@H]1CC2	2318870367	HVIGVFLQAFMJRY-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@]12CCCC[C@@H]1C2	2318875359	WUGCLRBIPVGVRO-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC[C@H]1CCC(C)(C)C1	2319022286	SWOAWMJIIAABAE-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CCCC[C@H]2C(C)C)CC1	2320238377	UJUVROOGPRFXKR-IXDOHACOSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@@](CN)(C[C@H]2CC[C@H](C)CC2)CC1	2320259242	SEHJGCQKOBPXJZ-KBRIMQKVSA-N	249.442	4.668	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC[C@H](C)[C@H](C)C2)CC1	2320327240	LBGYNKGQDUNGKS-SVGFKBNWSA-N	249.442	4.667	0	10	BJAE	
CCc1cccc(OC[C@@H]2CCC(C)=C(C)C2)c1	2320389253	YPMHBCDVGVPWJP-MRXNPFEDSA-N	244.378	4.764	0	10	BJAE	
CC1=C(C)C[C@@H](NCC2(C(C)(C)C)CCC2)CC1	2320412679	KRLNUGFXKUQIIY-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CCC2(N)C[C@@H]3CCC[C@H]3C2)C1	2321650491	UEPUJJQLGKCHLB-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@H]2CCC[C@@H]2C)c1	2327676800	BGUFPRCPYQSVIU-JLJPHGGASA-N	245.410	4.554	0	10	BJAE	
Cc1ccsc1CNc1ccccc1C(C)C	19232333	TUNNIBJTNRBCFE-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
Cc1ccc(NC2CCCCCCC2)c(C)c1	20546998	QKUCUMVFGMMWMU-UHFFFAOYSA-N	231.383	4.828	0	10	BJAE	
CCCC(CCC)NC1CCCCCCC1	21812465	DZQLZQRIEHUZRN-UHFFFAOYSA-N	225.420	4.658	0	10	BJAE	
CCCCc1ccc([C@@H](NCC)C(C)(C)C)cc1	35548062	OPXWZJQCNZTTFD-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2cc(Cl)ccc2Cl)C1	70747658	LKHAEVDMXXDSHG-SCZZXKLOSA-N	244.165	4.594	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1ccc(Cl)cc1	71085889	IHNVZPHFZJCCNK-BXUZGUMPSA-N	240.774	4.590	0	10	BJAE	
CCCC[C@@H](C)Nc1c(Cl)cccc1Cl	83847801	ZFMPRODXBHXHKU-SECBINFHSA-N	246.181	4.984	0	10	BJAE	
CC(C)c1ccc(-c2ccnc(Cl)c2)cc1	84514175	AJDBQRGONZANJT-UHFFFAOYSA-N	231.726	4.525	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](CC(C)C)NC	87522077	XGOFSDLCVGZSFM-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)Cn1ccc(C(=O)CCC)c1	91819157	FJZCLCBFUOHYFA-CQSZACIVSA-N	249.398	4.687	0	10	BJAE	
C[C@@H]1C[C@H](CC2CCCCC2)c2ccccc2N1	92344727	JTWWGPXLICGBTJ-UKRRQHHQSA-N	243.394	4.945	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCCC2(C)C)CC1	94321699	INNFHBAPLBXDKO-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCCCCNc1ccc(OC(C)C)cc1C	103983616	ACDABRMAPRVDDG-UHFFFAOYSA-N	249.398	4.774	0	10	BJAE	
CN[C@H](CCC1CCCCC1)c1cc(C)oc1C	103996747	JBUWVQSOIADJJC-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
Cc1ccc([C@@H](C)NCC2(C)CCCC2)cc1C	104446076	SDMDJWOMBGVPFM-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1ccc(C)c(F)c1	111745961	WFFGGWPUYTTXOI-OCCSQVGLSA-N	248.341	4.533	0	10	BJAE	
c1ccc(-c2cc3ccc4ccccc4n3c2)cc1	116760296	BGYDGSZCQKDDGI-UHFFFAOYSA-N	243.309	4.760	0	10	BJAE	
CC[C@H](N[C@H]1CCC(C)(C)C1)c1ccc(C)cc1	124980090	IWXACZDPASWVRM-HOTGVXAUSA-N	245.410	4.614	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CNC)C1CCCC1	128173483	AJSQTYMYXFGDBH-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCC[C@@H]1CNCC	134148136	WQHFIRJWPHZUEP-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CC[C@H](Nc2ccsc2)c2ccccc21	136971813	YOVVOZQEUIGNRW-NHYWBVRUSA-N	243.375	4.799	0	10	BJAE	
Clc1ncc2c3c(cccc13)-c1ccccc1-2	147865493	JFLWKWBHJJMWEX-UHFFFAOYSA-N	237.689	4.536	0	10	BJAE	
CC[C@H](C)CC[C@H](CNC(C)C)c1ccccc1	155727095	XQJKGORPGKFSIB-DOTOQJQBSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@H](c1cccc(CCC)c1)C(C)(C)C	165745693	WXMRDUOXHGWHEA-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCC1CCC([C@H](N)C[C@H](C)C(C)(C)C)CC1	168763622	BTYRUMXFTLAVAI-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(CSc2cccc(C)c2)cc1	202254452	GEIJFRSSEDJMFZ-UHFFFAOYSA-N	228.360	4.596	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1CCC[C@@H](C)[C@@H]1C	221686965	HANRKHDVUFQBLQ-WCVJEAGWSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCC[C@H]1c1nc2c(Cl)cccc2[nH]1	226620993	FQSOHVRHKYJWJP-VIFPVBQESA-N	248.757	4.510	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@H]1CCC[C@@H](CC)C1	227508466	PQDIOOQSVDZWBE-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CC[C@@H](C)c2ccccc21	228129684	KNMGQIUOIDPXLL-KEYYUXOJSA-N	245.410	4.793	0	10	BJAE	
C1=C(CCNc2ccc3ccccc3c2)CCC1	228778242	SEAJFAPNMOUGGP-UHFFFAOYSA-N	237.346	4.752	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@@H](C)C(C)C	229145713	VHBMTIHGQHDIRU-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@H](CC)c1ccccc1	229158720	OFKGPBOCDMAKQN-IAGOWNOFSA-N	247.426	4.595	0	10	BJAE	
Cc1ccc(C)c(O[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	251025337	YYJLJPZCIWZPDW-NHAGDIPZSA-N	232.367	4.507	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCC[C@H]1C(C)C	251403707	VYUVYRXNMDVHFD-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1[C@H]2CCCC[C@H]21	253181251	FEGXIMQTQOSQBM-TTZDDIAXSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)c1ccc(C)cc1	300143086	VZBQBGJJBAQEJJ-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CC(C)C[C@@H](C)CNc1ccc(C(C)C)cc1	302312042	INIMLZCNEAFENL-CQSZACIVSA-N	233.399	4.904	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2/C=C/CCCCC2)s1	302337021	DQKCGSWBHHKDKD-RTIZMKJZSA-N	249.423	4.596	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)CCC(C)(C)C	304335512	DVJSNLDSBPZTBA-ZIAGYGMSSA-N	227.436	4.760	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)CC1CCCCCC1	305969249	PPXOGEUHFKLSBJ-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1c(C)cc(C)cc1C	308024150	MDLYRJSUEBPVBN-RDJZCZTQSA-N	248.410	4.718	0	10	BJAE	
CCC1(C[C@@H](N)c2c(C)cc(C)cc2C)CCC1	310961232	NYMPVQLXUASGTJ-OAHLLOKOSA-N	245.410	4.582	0	10	BJAE	
CCCCC[C@H](NCC)c1ccsc1Cl	312552388	VYAIPOCSQLZECR-NSHDSACASA-N	245.819	4.632	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H](C1CC1)C(C)(C)C	323950616	CWONVFJAOCHEGR-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C(=O)CC/C=C\c2ccccc2)CC1	324143556	MYSCIRDAPXXMCM-POHAHGRESA-N	242.362	4.629	0	10	BJAE	
C[C@H](CCCC(C)(C)C)[C@@H](C)CNC(C)(C)C	379626231	GQMMUMQYUCXEFV-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCCCCCC(C)C	383254515	KVNZVJQFNZHKNH-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC1(C)CCC1	383711977	UGDUOSZJWOCYMM-UHFFFAOYSA-N	232.367	4.687	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H](C)CC(C)(C)C	384587895	LXPVGAFTAILDHE-SNVBAGLBSA-N	239.790	4.885	0	10	BJAE	
CCCc1ccccc1[C@H](N)CC1=CCCCC1	384603724	GGIZMFZFDQUERV-QGZVFWFLSA-N	243.394	4.529	0	10	BJAE	
CCCC[C@H](CC)CNCC(C)(C)CC(C)C	391171838	LLPYJWZHNJZFGU-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
CNC/C(=C\C1(C)CCCCC1)C1CCCCC1	394781062	LTIXZYLPSHHNGL-DTQAZKPQSA-N	249.442	4.683	0	10	BJAE	
CCC[C@](O)([C@@H]1CCCC[C@@H]1CC)C(C)(C)C	395416405	KCZBRDZOZAJESP-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CCOc1c(C(F)F)cc(C)c2sccc12	396233699	CCJZKKOGIBOEAR-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCCC(CCC)[C@H](CCC1CCC1)NCC	398931813	RAUSYZYQLYWZOP-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)Cc1cccc([C@@H](N)[C@H](C)C(C)(C)C)c1	399036133	AJGIYGVPEDJHKW-BBRMVZONSA-N	247.426	4.567	0	10	BJAE	
C[C@H](C(=O)C[C@@H](C)C1CCCCC1)C(C)(C)C	399145274	HKBUJYNIJIVPGR-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C)c1csc([C@H](C)c2ccccc2)n1	405532742	CDRQZQKLRFLTGS-VXGBXAGGSA-N	245.391	4.808	0	10	BJAE	
c1cc(NCC2CCCCCC2)cc(C2CC2)c1	690078152	VTBHKSZTOQXHIZ-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCCCC[C@H]1C(C)C	691125364	DFCGDPBDSDXNRN-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)N[C@H]1CCCCC[C@@H]1C(C)C	691169188	SQDXPFZQVNCLBV-XHSDSOJGSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCCC1CCCC1	691190793	WSICESYUVSTRSK-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@@H]1CC2CCC1CC2	691791085	UQTMVEQFGHFYLK-SJJHQCBESA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCC(C)(C)CC)CC1	696678947	PLWZNMJNIXHHLK-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)c1ccccc1OCCCC1CCC1	701567134	GSPBMHVJCIPRLS-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
CC(C)CCC[C@H](O)CC/C=C\c1ccccc1	703981017	XSAIAFTZOSMOCK-HMPQKADESA-N	246.394	4.667	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(N)C[C@H](C)CC(C)C)c1	704505403	DHHPIRAHXKEHSO-WBVHZDCISA-N	247.426	4.550	0	10	BJAE	
CCCC[C@H](CC)CC1(O)C[C@H]2CC[C@@H](C2)C1	704785922	FWTPVTJTDXQQGS-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@@H](C)CC(C)(C)C	708257117	NTZFHFCREJVLHM-XJKSGUPXSA-N	247.426	4.882	0	10	BJAE	
CCC[C@@](O)(C[C@@H](C)CC(C)(C)C)C1CCC1	709129806	IADNLAVUTZIPMP-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@@H](O)C1CCCCCCC1)C(C)(C)C	710734944	HEBXNGWDKYPOMS-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1cscc1Cl	718495494	OQZHXUISBJVLMD-GFCCVEGCSA-N	243.803	4.538	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C(C)(C)C(C)(C)C	718602360	TUQGOMGTZUHEMC-ZDUSSCGKSA-N	226.404	4.556	0	10	BJAE	
CC(C)C(N[C@H]1CCCCCC1(C)C)C(C)C	718984211	CECBOAXBMIYZRK-AWEZNQCLSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@H](C1CCCC1)C1CC1	723995865	RLRJHOCZRAUBSG-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@H]2CCC=CCCC2)C1	1179764469	WDFRAZNHFPZMPG-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(S[C@@H](C)C(C)C)cc1	1651757014	DCRDLWCZVFWNBY-LBPRGKRZSA-N	222.397	4.947	0	10	BJAE	
CCC(CC)c1ccc(OC2CCC2)cc1	1901881631	SHEWFOJKKGQHNE-UHFFFAOYSA-N	218.340	4.522	0	10	BJAE	
CCC(CC)c1ccc2c(c1)CC(C)(C)C2	1901883721	XGRXRKXYXZYQJW-UHFFFAOYSA-N	216.368	4.715	0	10	BJAE	
Cc1cc(NC[C@H]2CC[C@@H]2C(C)(C)C)cs1	1902742829	SHTLJZVKWACHKN-YPMHNXCESA-N	237.412	4.541	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(N)CCCCC1(C)C	1905309140	UOSQPOAVAVXHPS-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)C(CC)(CC)CC	1905449310	JQKVQKMZUGVMII-ZDUSSCGKSA-N	226.404	4.988	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC1(CN)CCCCCCC1	1910745976	SETAIGJMMNRIRY-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CC(C)C(=O)CC[C@@H]1C[C@H]1C1CCCCCC1	1910796816	YGMJCSCBZSCHFW-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@](O)(CC)c1ccc(C)cc1	1919885691	KTZSQUNTSKSHIA-INIZCTEOSA-N	234.383	4.563	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCCCCC1CC1	1919977102	TUVKAPMVVKTDHC-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1CCC(F)CC1	1919989685	YQXZLQHYQQQHRT-YMAMQOFZSA-N	244.394	4.626	0	10	BJAE	
CCC1CC(CCC2CCCC2)(CNC2CC2)C1	1921212330	NISIEOZWWVUUHE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)C1CC(CC)C1	1921269959	BCXAVHSRSOVZRW-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@H]1C=CCCCC1	1925796344	XDYFESYZNYZIHC-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C[C@H](C)C1CCC1	1926153320	SKDIZZIIILYBJJ-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1ccccc1Cl	1937162242	UJVPTKKGLQAOGP-NSHDSACASA-N	238.758	4.595	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)CC1(C)CCCCC1	1940408198	SFQLVMUGCRDAFQ-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](O)[C@@H](CC2(C)CCCCC2)C1	1940412595	HPGPLWRTGVELHN-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccc(C(=O)CCC2(C)CC2)cc1	1940798020	LSWYAPHNUCXIEU-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CCC[C@H]1CC1(C)C	1940873870	CRHJHXGSASVKOF-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H](CC(C)C)C(C)C	1941263931	GVZNHIFCQSGDLH-GJZGRUSLSA-N	240.431	4.946	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)CCC1CCCC1	1941267331	QEGHOJDDASDTGQ-HZPDHXFCSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@H](CC)C(C)C	1941268144	BJUIIQAPDIIIDL-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@@H](C)C(C)(C)C)C(C)C	1941269347	PEYAXEWQNVMAOC-KGLIPLIRSA-N	240.431	4.946	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CCCCCC2CC2)C1	1941587301	QXTSIWZFBIVWGJ-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@@H](C)C(C)(C)C	1941599532	KIPFUGIWJPZPPL-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(N)CC1CCCCC1	1942655779	KJBLHXRDMWKBFG-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@]12CCCC[C@@H]1CCC2	1944223655	UFWHIPIMNMYASY-CZUORRHYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)CNC(C)(C)C(F)(F)CC	1944575701	DEXVHVJFSMANSC-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC(C)(C)CCCC1(O)C[C@H]2CCCC[C@@H]2C1	1946292934	KFUPYKOPSWSTCC-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)N[C@H](C)CCC(C)(C)C	1948327193	NFANGYMECWWLFW-RRFJBIMHSA-N	241.463	4.862	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CC[C@H](C(C)C)CC1	1948429046	OGTUITLLJKFQHY-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C=CCCCC2)CC1=O	1949657202	YVSJYPFBCYRXOI-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](O)CCC2CCC2)CC1	1950913185	FIBKKSBPWCUMLB-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1ccc(Cl)cc1Cl	1959212411	YFTYLHJRZCTSDP-KCJUWKMLSA-N	244.165	4.594	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H](C)C(C)(C)C	1962718629	UHJQJPBNWYILGD-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC1CC2(CCCCC2)C1	1969953270	BVCYAPVYOSXEAD-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC[C@H]1N[C@H]1CCCC2(CCCCC2)C1	1972322019	DFWHUPMNAKGRRQ-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC1(CN2CCCCC3(CCC3)C2)CCCCC1	1972916123	YXJVELXRDQRQTD-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCC/C=C/CNc1cc(C)c(Cl)c(C)c1	1975485524	QMMIVPITRKIVGZ-VOTSOKGWSA-N	237.774	4.725	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H](C)CC(C)(C)C	1976011191	SPQSPEDNQDLLPZ-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
CCC(CC)(CC=C(C)C)CNC(C)(C)C	1978659742	PLENEDGNTWPVHK-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCCC1(C[C@@](C)(N)CCC(C)C)CCC1	1988466774	NCNBMUFQUKMUOH-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](CNc1cc(C)ccc1Cl)C(C)C	1988768718	VKHJHMIXVOQXHD-LBPRGKRZSA-N	239.790	4.743	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(F)c(Cl)c1F	1993149507	HZJGXMTYNIQZEN-QMMMGPOBSA-N	247.716	4.609	0	10	BJAE	
CCCC(C)(C)c1nc(C2CCCC2)cs1	1995498706	SENRBJAPTDABGX-UHFFFAOYSA-N	237.412	4.878	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2(CC)CCCCC2)C1	1995691276	KTHKCGVBFDWDNN-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCC[C@@H]1CCCCN1CC1(C)CCCCC1	1995772210	QWZYFKRHRQBBPR-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
C[C@H](NCCCC(C)(C)C)C1(C)CCCCC1	1995982905	IXTBXEQRJKXDDV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)C1(C)CCCCC1	1995990286	GDWRKGUAOOOIBF-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)C[C@@H]1CC[C@H](C)C1	1996271920	SYGZEIAMDSJUJQ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@](C)(O)CCCC(C)(C)C)CC1	1996549711	WDBVSCXNEKXLEG-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCC[C@H](CCC)CC1	1997193487	BZZKSFHDPMWHCH-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCC(C)(C)C1)C(C)(C)C	2000103707	AENVXIPZWGDPII-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCCC1(C(=O)[C@@H]2CCCC[C@@H]2CC)CCC1	2000195553	UNDBQFYDDJEHQP-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCC(F)(F)CC	2000196208	FKNNOHIHKAGIOA-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C1(C)CCCCCC1	2000391392	WPNDIUOXSBLBGR-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@H]1CCC[C@H](C)C1	2000517380	CLLOIELSUJNZEI-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCCCN(C)C1CC2(CCCCCC2)C1	2000725698	NEAQVDAUMPPRBK-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CCCC2(CC2)C1)NC	2003216578	DEYPNVBIJSYVAE-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C(=O)C[C@@H]1CCCC2(CC2)C1)C(C)C	2003276595	ZYQJWWBHTDYFBA-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CCCC2(CC2)C1	2003286198	AYOSLJCOFGDRGU-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CCC(=O)c1cccs1)c1ccccc1	2003680361	MHOOPXXRPVGZQD-GFCCVEGCSA-N	244.359	4.515	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCCCC12CC2	2005538854	ZNNHCMGDTAPLKH-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(CCF)cc1	2007028420	RPNNFNYTPBXUNG-CYBMUJFWSA-N	237.362	4.579	0	10	BJAE	
CC1CCC(C)([C@H](N)CCCC(C)(C)C)CC1	2007686495	AMFKRYKZOSMMOE-NPCAHTBFSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C[C@H](O)C1=CCC(C)(C)CC1)C(C)(C)C	2010726157	NXANWADMRZCDBS-JSGCOSHPSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C)[C@](C)(N)C1=CC[C@H](C(C)(C)C)CC1	2010730081	UWTQTULYINMIDX-XEZPLFJOSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@](CC)(CN)CC12CCC(CC1)C2	2012833255	ZVCKZWSEHASYRG-HWOWSKLDSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@H](C)CN[C@@H](C)C1CCC(CC)CC1	2013475491	KEZBUPDNOHEHJP-QVOMUQBLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CCC(C(C)C)C(C)C	2015344493	KLCJVZANXZPXMG-HNNXBMFYSA-N	241.463	4.848	0	10	BJAE	
CC(C)C(CCC(=O)[C@H]1CCC[C@@H]1C)C(C)C	2015394394	NTQMJXIIQAQHBZ-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@H](C)[C@H]2C)CCC1	2015641130	AHIIBIRCWBBPTN-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](Nc1ccc(C(C)C)cc1)C(F)F	2015821710	YFGKDLXQVRMDGU-CYBMUJFWSA-N	241.325	4.656	0	10	BJAE	
CC[C@H]1CC[C@H](CNCCC(C)=C(C)C)CC1	2017657295	DFWJLKRBFVHZQY-WKILWMFISA-N	237.431	4.539	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC[C@@H](O)C2)CC1	2017713289	AGASYOQVPWLTMW-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCCC[C@@H](O)C2)CC1	2017714098	DKAWWOZUAMXGEU-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](CC(C)(C)CNC(C)C)CC1	2017725066	PWOCKUNCMIUCJB-SHTZXODSSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@](C)(CC)CNC)CC1	2017729215	UKEANFSHWDONLY-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)CC(C)(C)C)CC1	2017775664	FELSOMMTQMMGAD-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@H]2CC[C@H](C)CC2)CC1	2017776482	PJPRDVPKCWNORJ-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H]1CCC[C@@H]1C	2018184972	MANLSLZUSFWSQO-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CCCC1(C[C@H](NC)C2(C)CCCCC2)CC1	2018989368	FBNWGVCIWBBQMQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@@](C)(CCCCCCC2CC2)CN1	2022140900	IXPALWBJFPWBPR-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(C)(C)CNC[C@H]1C[C@@H]1CCC	2022492567	KPOZHHMHBZKLII-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@](C)(N)C1(C)CCCCC1	2022559248	CUDJLZQKTAAYLS-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](CC=C(C)C)NC)CC1	2023327714	MQEQYBXYFDNMNI-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(-c2cc(Cl)ccc2C)c(C)cc1N	2024339424	YDIFSNGNCUOTBF-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC(C)c1ccccc1C[C@H](N)CCC(C)(C)C	2027467144	TYUBRCBKWMRNBQ-OAHLLOKOSA-N	247.426	4.506	0	10	BJAE	
CN(CCCC1(C)CC1)[C@@H]1CCC12CCCCC2	2027808442	SLHQOEKGYJNZSR-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCCC[C@@H](C)NCc1ccccc1CCC	2027901634	NXQIRKSEGOVQMK-OAHLLOKOSA-N	247.426	4.698	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)[C@@]23CCCC[C@H]2CCC3)C1	2031761752	VHPSQLNDFURBAQ-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C1CCCC(CN[C@@]23CCCC[C@H]2CCC3)CC1	2031800237	YJNJNFLLCHUZKF-DLBZAZTESA-N	249.442	4.659	0	10	BJAE	
CN[C@@H](C[C@H]1CC=CCC1)C(C)(C)C1CCCC1	2032293767	RCDITLGQWYCBOE-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CNc1cccc(F)c1)C1CCCCC1	2034028238	PQHDUNCSWBSHKG-UHFFFAOYSA-N	249.373	4.844	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@H](C[C@@H]2C=CCCC2)C1	2035592122	OEMYJOJLJBHPIY-FPCVCCKLSA-N	249.442	4.523	0	10	BJAE	
CC[C@](N)(CCC(C)=C(C)C)c1ccc(C)cc1	2037168823	LVQVXYCIPFJMFG-KRWDZBQOSA-N	245.410	4.696	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CCC2=CCCCC2)C1	2037171873	OWCVGKYYOVRQBO-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC(C1CC1)C1CC1	2037191217	SZQOSGFNYOZROS-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CC1CC2(CCC2)C1	2037978627	BDQBPGQEMXXBOA-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(C[C@@H]2CC[C@H](C)C2)CCC=CCCC1	2040175004	FQLFQMBZAISBND-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(CNC(C)(C)C)C=CCC2)C1	2040182309	PDSBIUFSHGFPKN-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2CC3CCC2CC3)CC=CCC1	2042090988	HJLZHFOBQYOIOL-UMPYDWHISA-N	246.394	4.518	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)CCC2CCC2)c1C	2042740578	ANUCFKAQIXUHTO-MRXNPFEDSA-N	245.410	4.500	0	10	BJAE	
C[C@H](CC(=O)CCCC(C)(C)C)c1ccccc1	2045559594	ALHKEBIHLXISFA-CQSZACIVSA-N	246.394	4.966	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)C1	2045559817	FBDUZUHZGMMGQJ-RBRCJPGISA-N	248.410	4.620	0	10	BJAE	
CC(C)=CCCNC[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047449402	YRDZBEGBZCLEHV-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@H]1CCC12CCC2	2047941538	CZZJJDKTYCTCHM-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC([C@]2(N)CCCC3(CCC3)C2)C1	2048623132	DPIFDWGGMZWLNS-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CCC([C@H](N)C2=CCCC2)CC1	2049637861	FELVINKQZLFIDP-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CC[C@H]1CCC2(CC2)C1)CC1CCCCC1	2049844416	AKQHEMZXHOSMSZ-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](NC[C@]2(C)C=CCC2)C1	2049978649	HGMUFBYONKNXMV-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2CC3CCC2CC3)C=CCCC1	2050001210	WBXLHLGUIJAKRW-BOXZVXIZSA-N	246.394	4.518	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1C2CCCC1CCC2	2050043560	VAKUVRFGPSKFTA-VATXVYSQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H](O)c2ccccc2C)C1	2050440830	ITRLZUZZTOOZOH-HLLBOEOZSA-N	246.394	4.635	0	10	BJAE	
CCN[C@H](CC1=CCCCCCC1)c1ccco1	2050526393	XTMFGHCOFHBOBU-OAHLLOKOSA-N	247.382	4.601	0	10	BJAE	
NC[C@@]1(CC2CCCCC2)CCCCC12CCC2	2053419474	FUNXPXOJTJMORN-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
CCCNCC1(C2CC=CC2)CCC(C)(C)CC1	2053693478	DSDISFVWNGLMMW-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC1=CCCC[C@@H]1NC1CC(C)(C)CC(C)(C)C1	2055672149	PTAQKYFOFBNWNW-HNNXBMFYSA-N	249.442	4.680	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2056783845	ZOJYWVOERJQCFU-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)C1CC(CCC)C1	2056873632	PENRVFPOABJHIC-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1(C2CC2)CCCC1	2057603650	IYCBAYDHENMPIZ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2059198099	KRRGCYDWQQOCPT-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCC[C@@H]2C2CC2)C1	2059394827	BTTWYPSZPOSIAF-OKEQZYBDSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(N)([C@@H]2CCC3(CCCC3)C2)C1	2059492735	QVJGWXRYSIKDJB-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C1=CC[C@H](C(C)C)CC1)C1(C)CCCC1	2061091677	KTPRLNVQZYSCFF-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2061092352	PMHSUQOEBWYMLI-DMRZNYOFSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@@]1(CNCC(C)C)CCCC[C@@H]1C	2061565308	CNPXVOSYXCJCDI-IRXDYDNUSA-N	249.442	4.550	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCC1CC(=C2CCC2)C1	2061640612	OFIYHHFWWHQDND-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
N[C@H]1CCCCCCC[C@H]1CC1CC(=C2CC2)C1	2061736042	BAURAGZJMPRTRY-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](NCC12CCCC1CCC2)C1CCCC1	2063906005	RYGDEMACQSDHBF-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC(=CC12CCC(CC1)CC2)c1cccc(N)c1	2065332731	KKGMFFGRJYKZEV-UHFFFAOYSA-N	241.378	4.643	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CC[C@@]2(C)C[C@H]12	2065656049	DMYRFSYFEXIIMC-UNEWFSDZSA-N	243.394	4.585	0	10	BJAE	
CCC1(CC[C@@H](NC)c2ccccc2C)CCC1	2069285579	UBMCLHLWGYYTPO-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)C1(CC2CC2)CC1	2069517648	OQANFTJDIDSLJM-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@]23CCC[C@H]2C3)CC1	2070926390	MOPMROZCFQJEBX-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CC2(C(C)C)CCC2)C1	2071916135	WBCDKTJURINPNW-DZGCQCFKSA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)C1(CN(C2CCC2)C2CCC2)CCC1	2071919967	PZSZLIXVDPFFEF-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CC(C)C1(C[C@@H](N)CC2CC3(CCC3)C2)CCC1	2071951711	VRVHOTXEUWCYAJ-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)C2(C3CC3)CCCC2)CC1	2072797614	AVHUKBVPEAYZFZ-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CC2(CNC)CC=CC2)CC1	2072803335	HFCLUGKRBOPQFU-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@]2(C)CC=CCC2)CC1	2072821204	KRLZQBXSSQFUHZ-SJJHQCBESA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@H]1CCCC12CCC2	2074633904	JMHFEHFVMRKKHR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N2CCC[C@@H]3CCCC[C@@H]32)CC1	2074860340	SCLCLMATYCAAFP-XGHPGWEVSA-N	249.442	4.610	0	10	BJAE	
CC1(c2cccc(N[C@@H]3C=CCCCC3)c2)CC1	2075363565	RQCVLLJDXJLYSI-OAHLLOKOSA-N	241.378	4.649	0	10	BJAE	
CCCN[C@@H](C1=CCC(C)(C)CC1)[C@@H]1C[C@H]1CC	2079221736	NCAVJBDQDHIZDW-BMFZPTHFSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@H]1C[C@H]1C1CCCCCC1	2079523110	MXXNUDJZXKRVQV-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(CC)c(NC[C@@H]2C[C@@H]2C(C)C)c1	2079623877	JGDULRZQWPPZLX-JKSUJKDBSA-N	245.410	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)C1(CC2CC2)CCC1	2079840450	CAUXFWXABJJNEN-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](NCC)c1cc(C)cc(C)c1C	2082929378	DQOMIJMOYVEGFO-KRWDZBQOSA-N	247.426	4.843	0	10	BJAE	
Cc1coc(C)c1[C@@H](N)C[C@H]1CCCC(C)(C)C1	2082991228	ONOWGRHUUZIGEH-KGLIPLIRSA-N	249.398	4.503	0	10	BJAE	
CCC1CC(CCN[C@H]2CCC23CCCCC3)C1	2084915725	ZYKZNJRIBSHZGV-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](N)(CC)CC1(C)CC(C)(C)C1	2211616115	RAXAWCJBKSZFNO-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCN(CCCCCCC1CC1)[C@@H](C)C(C)C	2213581213	UEFKCWPIWCDQSS-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
Cc1csc([C@@H](N)C[C@@H]2C=CCCCC2)c1C	2213634861	CICUQVHSQFTFTJ-KGLIPLIRSA-N	249.423	4.501	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CC1(C)CC2(CCC2)C1	2215393777	NVDGHNUQJKFOCW-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)N(C)[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216257515	LUJVJVAHUIJUQX-UKRRQHHQSA-N	239.447	4.712	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CCCCC(F)F	2216508100	ZIIJPGVCUZRNTO-CYBMUJFWSA-N	249.389	4.713	0	10	BJAE	
CC(C)(C)[C@H](N)CCCCCCCCC1CC1	2216879142	HJDDZWCGEDNRMV-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H](C)NCC(C)(C)C[C@H]1CC[C@H](C)CC1	2217136317	LOPMQGDRXGYSRS-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CCCC1CCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218347079	VUZKPGPVMVMXDV-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
OC1(CCC2=CCCCC2)CCC(C2CC2)CC1	2218891771	GJFWYQXBCFKUBZ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1(C)CC(C)(C)C1)[C@@H](O)c1ccccc1	2221035569	SGICFEZOUXPZRU-DZGCQCFKSA-N	246.394	4.573	0	10	BJAE	
CC[C@H](C)NCC1(CC2(C)CCCC2)CC=CC1	2223562895	FRXODGUMRHQFIE-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)C[C@@]1(CNC2CCC2)C=CCCC1	2223599780	SGWUBSXCBLYZFO-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)c1cccc2ccoc12	2224181661	QUWJLXFONCBABA-DOMZBBRYSA-N	245.366	4.520	0	10	BJAE	
CCCNCCC=CCC[C@@H]1CCC[C@H](C)C1	2246688395	UJRULRUJPURULF-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
Cc1cn(CC[C@@H]2CCC[C@H](C)C2)c(C)c1C	2246690741	BLIFFZDAFSHPRL-LRDDRELGSA-N	233.399	4.630	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](O)CCC2CCC2)C1	2246725386	HQBULJOIVFRPCT-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CC1=CCCCC1	2247525724	PYPZFKNWVRNNIJ-LSDHHAIUSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCCCCN(C)CC1=CCCCC1	2247527043	DWMCKTRZMCSKGO-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CCCC[C@](C)(CN)CCCCC[C@@H]1C[C@@H]1C	2248838208	HLDDWWDRPVPMOC-XHSDSOJGSA-N	239.447	4.748	0	10	BJAE	
CCN(CCCCC[C@H]1C[C@H]1C)CC(C)(C)C	2248851558	HQZCSJMBRFVNHL-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCCCCC1CC1)NC	2250356172	PQQKCZGZYMUJNA-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)C[C@@H]1C[C@H]1C	2250466710	IFSRYULAWHCFNI-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)CC1CCC1	2250468060	YYFANMSTBPJASA-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@@H](C)C1CC1	2250479488	VLHCBPANRYHUQG-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
Cc1cn(CC[C@H](C)CCCC(C)C)cc1C	2250512816	AXNSCLKNHKNDBR-CQSZACIVSA-N	235.415	4.957	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@]12CCC[C@@H]1CC2	2251164819	ZHLLLZFBBVGESG-CZUORRHYSA-N	236.399	4.742	0	10	BJAE	
C/C=C/CCC[C@H](O)C1CC(CC(C)(C)C)C1	2251542784	PGKXHYKBXZMBOS-BFXNBRJNSA-N	238.415	4.556	0	10	BJAE	
O=C1CCCCC[C@H]1c1ccc2ccsc2c1	2253065220	KMDQNWUKBJLVPF-ZDUSSCGKSA-N	244.359	4.518	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1ccc2ccsc2c1	2253129634	NGNMNFHZSBDXBG-DGCLKSJQSA-N	244.359	4.520	0	10	BJAE	
CC[C@H](C(=O)c1ccc2ccsc2c1)C(C)C	2253131010	AYSUCXMGSBYZDH-ZDUSSCGKSA-N	246.375	4.766	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCCCC12CC2)C1CCCC1	2253853383	LFMCSAFWWJKDBW-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(N)(C[C@H]1CCCC(C)(C)C1)C2	2254148394	LUQWGHPDSRXMKZ-ZFBLFJJNSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CCCC[C@H]2C[C@@H]2C)CC1	2254544958	RVRJWCCJQCEMMI-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC12CCC2)C1(C)CCCC1	2254820341	AWDVZEQQSCCUGE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1N[C@@H](CC[C@H]2CCCCC23CC3)CC[C@H]1C	2259278562	CBLOHNJAQJBAKN-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)CNCc1cccc(C(C)(C)C)c1	2261355891	AUYDBGBHRPMUBK-AWEZNQCLSA-N	247.426	4.510	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@H](C)CC2CCC2)CC1	2298864960	LFSXNNUKOSOQRI-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@@]12CCC[C@@H]1CC2	2300506122	VDECWSWREZKAQC-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCC(=O)c1ccc(C(C)C)cc1	2300898961	JNUGKAKFUPVBQN-UHFFFAOYSA-N	230.351	4.739	0	10	BJAE	
O[C@H]1CCCCCC[C@@H]1CC1CCCCCC1	2301140128	MJOPGUWNWRGOMT-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)[C@@H]1CC[C@H]1C(C)(C)C	2303445653	SGQLQSMYRKHNQM-AAVRWANBSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1CC[C@@H]1C(C)(C)C	2303455667	XXYODBYRUDGVCC-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCC[C@@H](O)C2)C1	2304396263	JRINAICMOYOTHW-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CN1CC[C@H](CC(C)(C)C)C1	2307747874	UEAYKFZNLMKOHQ-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H]1CCCCC1(C)C	2307892402	HSMWKRMGPODGDC-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1(C)CCC(C)CC1	2307894140	PZNDWVHVDRVOTF-LVDPKSTMSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2CCC[C@@H]3C[C@@H]32)CC1	2308437675	HPAKKLYNXBJSLJ-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCC[C@@]12CCC[C@@H]1C2	2310376630	VQNNZBBSKWXUIT-VVLHAWIVSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(C1CCCCC1)C(CC1CC1)CC1CC1	2313603647	KVHQUWHZEYOSIU-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)N1CC[C@@H]1C1CCCCCC1	2313654087	GBORJPQHSYPGGV-WMLDXEAASA-N	249.442	4.610	0	10	BJAE	
CCC[C@]1(CNC(C)(C)C)C[C@H]2C=C[C@H]1CCC2	2316664487	GSUYPJRSISSVKK-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1ccc(F)cc1C1CC1	2317071028	QXKBYJKJENZBPS-OAHLLOKOSA-N	249.373	4.529	0	10	BJAE	
C[C@H]1[C@H](Nc2ccc(C3CCC3)cc2)CC1(C)C	2318184152	RMYOMYHGYFCVMF-BLLLJJGKSA-N	243.394	4.801	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CCC[C@@H]2CC[C@H]21	2318548033	IIRYRDDNWYVFCB-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCN(CCCC2=CCCCC2)C1	2318575721	IKTLUZQRYNDQFW-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@@H]2CC[C@H]2C2CC2)C1	2319732213	ZJBUSCYTOPLFRQ-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(N)(CC[C@@H]2CC[C@@H]2C2CC2)CC1	2319741886	SALUVTSXSHQAFY-CBUUIXETSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1C[C@H]1CCC(C)=C(C)C1	2320334962	ABKQPBOCKHZWRE-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C2CC3(CCC3)C2)C1	2321639111	IFBIKMGCLCRVAE-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](c1cc(C)ccc1C(C)C)C(C)C	2327680318	DNECVCXXZGWQHU-QGZVFWFLSA-N	247.426	4.815	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@H](C)C2CCC2)c1	2327795215	REIWSQNJFVKVMK-CYBMUJFWSA-N	244.378	4.737	0	10	BJAE	
C1=C(CC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)COCC1	2328287452	QBZMSWZABZKATL-DJIMGWMZSA-N	248.410	4.720	0	10	BJAE	
Clc1cccc(Nc2cccc(Cl)c2)c1	6092381	YVDNMDPKDNOULT-UHFFFAOYSA-N	238.117	4.737	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C)cc1	37032031	NBMXUTSYLAHBBI-YQQAZPJKSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H](C)CN[C@H](C)c1ccc(C(C)C)cc1	37044390	YAXVAELRWNCTKV-ZIAGYGMSSA-N	233.399	4.507	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H](C)C1)c1ccc(C)cc1	37248529	DHANXGYPWPGRLF-UAGQMJEPSA-N	245.410	4.614	0	10	BJAE	
c1cc(SC2CCCC2)ccc1NC1CCC1	44481437	ZZYKIMYRTFLIJK-UHFFFAOYSA-N	247.407	4.686	0	10	BJAE	
Cc1nc(-c2cc(C(C)(C)C)ccc2C)cs1	57535265	BNZWQCMMJKXMGZ-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
Cc1nc2c(Cl)cccc2c(Cl)c1Cl	68135613	GPAHZRFNHQSQKA-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc2ncccc2c1	69378921	XUADBABEDLUSTL-AWEZNQCLSA-N	242.366	4.616	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(CC)CNC(C)(C)C	71128173	ADLGDASWMWJZIH-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCCCCc1ccc2c(Cl)nccc2c1	71482498	RRIGMJKMRZWKMQ-UHFFFAOYSA-N	233.742	4.621	0	10	BJAE	
CCCCC[C@]1(N)CCC[C@H](C(C)C)CC1	83437516	JAWUGLIXVPUGLE-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(NC2C[C@@H](C)C[C@H](C)C2)c(C)c1	84461842	KSOLHRANZLPUAS-STQMWFEESA-N	231.383	4.540	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CN)c1ccc(C)cc1	93136842	XPVRSSQNHHCQON-WBVHZDCISA-N	247.426	4.644	0	10	BJAE	
CC[C@@H](N)CC[C@H](C)c1ccc(C(C)(C)C)cc1	107537519	STMUBHCZHWGYTD-XJKSGUPXSA-N	247.426	4.605	0	10	BJAE	
CC[C@H](CC[C@H](C)N)c1ccc(C(C)(C)C)cc1	107537849	HNNHKTNUJRIUJH-UONOGXRCSA-N	247.426	4.605	0	10	BJAE	
CC[C@H](C)c1ccccc1Oc1cccc(N)c1	157951408	WQJBIMYASLGMOI-LBPRGKRZSA-N	241.334	4.575	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@H](C)c2cccc(C)c2)C1	160156194	FNUQGIAVRHKKIW-HLLBOEOZSA-N	245.410	4.614	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)c1cccc(CCC)c1	166204490	WVHHUVVVBUVTBI-GJZGRUSLSA-N	247.426	4.521	0	10	BJAE	
C[C@@H]1CSC(F)=C1CCCc1ccccc1	196154405	DKHVASIICRPVJL-LLVKDONJSA-N	236.355	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@H](/C(C)=C\CCNC(C)C)C1	211823342	BTPAYZIGGZHQLJ-NBWJXOEWSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C(=O)CC2CCCCCC2)cc1F	224076147	JCAXEECXASPRQP-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
Cc1cccc(F)c1NCC1CCCCCC1	224953336	HSFZGQPFBLFMFD-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CC1(C)[C@H]2CCCCCCCCCC[C@H]2[C@H]1N	225173588	BHBKEEGVZJMMPA-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CC[C@@H](CC)[C@@H]1C	225192483	AZCBTGGQQYPSNW-QXSJWSMHSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(O)CCC[C@@H](C)CC2)C1	226507055	AZIVHRSJNBSUQT-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C2(CC)CCCC2)C1	229480340	IXJDFYWWYRVVLK-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CC1)Nc1ccccc1C(C)(C)C	229677098	GHDPTLMVZMZRHH-GFCCVEGCSA-N	231.383	4.585	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)C[C@@H]2C)cc1C	235545918	NQOBWGGYYHMSGU-ZFWWWQNUSA-N	231.383	4.540	0	10	BJAE	
CCCc1ccc(N[C@@H]2[C@@H](C)CCC[C@H]2C)cc1	249722017	JQIWHVTXASUKLG-HALDLXJZSA-N	245.410	4.876	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1C[C@H]2CC[C@H]1C2	250364925	MHQGLVNGDKPEED-HEHGZKQESA-N	243.394	4.585	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@H](C)C(C)C)cc1	251326450	HWFGLJSZQOMNRZ-JJRVBVJISA-N	247.426	4.753	0	10	BJAE	
CC[C@@H]1O[C@@H]1C[C@H](C)c1ccc(C(C)(C)C)cc1	251772078	WCALPAXQKVTHDS-VBNZEHGJSA-N	246.394	4.655	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@@H]1CCC[C@@H](C)C1	302523101	PNABLLQHXYTXRD-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N)ccc1SCCC1CCCCC1	305894721	BLOPSEKQJAFHDP-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCCCCC[C@]1(C)[C@H](CNCCC)C1(C)C	305967158	JIOYNQRQGTUHSY-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(N)c(NC(C)(C)CC(C)(C)C)cc1C	306074110	YEYSEUPJBWFYAB-UHFFFAOYSA-N	248.414	4.512	0	10	BJAE	
Fc1c(C(F)F)c(Cl)cc2ccsc12	306894114	JFHIZRPVIPHJRL-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1cc2sc(Cl)cc2cc1C	307279467	XCODKPGOKZDFEB-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
C[C@H](NCC(C)(C)C1=CCCC1)c1cccs1	308756690	NTIJLHHQKNOZGB-LBPRGKRZSA-N	249.423	4.535	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)c1ccccc1CC	310880051	VOGQPRWCNANYHC-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCCC(CCC)c1nc2c(C)c(C)ccc2[nH]1	310912542	HRVPPVOUQJACKH-UHFFFAOYSA-N	244.382	4.864	0	10	BJAE	
CC(C)CNCC[C@@H](C)c1ccccc1C(C)C	310933511	JIMGTJNPZYXLGD-OAHLLOKOSA-N	247.426	4.549	0	10	BJAE	
CCCC(CCC)[C@H](N)c1ccsc1Cl	312545648	OGGOFOPWSLQWNQ-NSHDSACASA-N	245.819	4.618	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)CCC)CCC[C@H]1C	317544693	XEXVGKIPLBBQKA-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(CNC)CCCCCCC1	319796476	NSQVAAODTUHWDJ-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@](O)(C[C@@H](C)c1ccccc1)C1CCC1	322271566	KQDGSDGEZDIQFX-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC23CCCC3)c(F)c1	328142697	CBTOQDARGQQAAB-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)CC1CCC(C)CC1	380203710	RTBNEHCSFQSYEW-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)[C@H](C)CC(C)C	380867425	YBDBQUNUILRVFG-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCC[C@@H](O)C1	383181308	UYLIOJIVDPKFRU-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)c1ccsc1	383197353	YDCZUFRCLMYARZ-CQSZACIVSA-N	240.412	4.562	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CCCCCC(C)C)C1	383358056	GAIPMCRPSNVVOM-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
CN[C@H]1CCCCC[C@H]1CCCCCC(C)C	383397762	QTNOMGINNUMCKP-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)CC(C)(C)C	384553946	GQSWCJBQVHLUOO-KBPBESRZSA-N	227.436	4.760	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)c1ccccc1CCC	384562705	SKBGOZVPSZIHHP-GJZGRUSLSA-N	247.426	4.521	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@H]1CCC[C@H]1C	384856229	MZLKNTDNNYJWKY-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](N[C@@H](C)CC(C)(C)C)c1ccccc1	384871815	IOFPYHNNVGDERO-GOEBONIOSA-N	247.426	4.942	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H]1C[C@H]1CC(C)C	388009188	NGDVVMHOESPYNQ-PMPSAXMXSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C[C@H]1CCC[C@@H](C)C1	395040199	CYJVOUKSGMULCE-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C(F)(F)F)c2scc(C)c2c1	396195720	JULXMBMEOXSANR-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@](O)(CC)[C@@H]1CC1(C)C	397632415	VXKUVKYWQGTPQM-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](Nc1ccc(C)c(C)c1)[C@@H]1CC1(C)C	397650353	LRDCXYRHVUAKQB-GJZGRUSLSA-N	231.383	4.540	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)cc1)[C@H]1CC1(C)C	397667413	YNFBVONBZALKDB-HUUCEWRRSA-N	231.383	4.622	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H](C)C1CCC1	398936688	UARQOSXOIIMWIK-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC1(C)CC1)NCC	401567530	QMJLQSNOKLRZQI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CC2	402321776	NAMMPFROANTHID-NXNVCVFFSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)C1(CCC)CC1	402374265	UJFHILPMSNXECO-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(OCC=C(Cl)Cl)cc1	403380163	QADSKTGGFASEBQ-UHFFFAOYSA-N	245.149	4.508	0	10	BJAE	
FCCCCCNc1ccc2c(c1)CCCCC2	404577076	MMLWWHSIPKHVIJ-UHFFFAOYSA-N	249.373	4.507	0	10	BJAE	
CCC[C@@H](C)[C@H](CCC(C)(C)C1CC1)NCC	405837928	WFFRLFHJVXEQKI-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)C1=CCCCCC1	691178795	YDJQLYGWNNOIHX-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCC12CCCCC2	694451411	MTYBSSUVAIGAOW-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H]1CCCC2(CC2)C1	695693140	YSAMBFHPEGDLLF-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](NC1CCC2(CC1)CC2)C1CCCCC1	695971444	ACPFOUDGOQQSBK-INIZCTEOSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CCC(C)(C)CC	696568804	UZDFYEGAYMSGPD-ZIAGYGMSSA-N	228.420	4.780	0	10	BJAE	
CC(C)=CCC[C@H](O)[C@]1(C)CC[C@@H](C)C1(C)C	697596292	BANDTUAFYVIUOR-YCPHGPKFSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCCCNc1cccc(F)c1Cl	703996883	XKXSZRKJDDGJDN-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CC(C)c1ccccc1O[C@@H]1CCCC[C@H]1C	704921870	HPCLFFQSOVXVMA-UKRRQHHQSA-N	232.367	4.768	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@@H]2CCCC[C@H]2C)CC1	704988154	WLKHTDZDAFKHDJ-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](N)(CCCCCC(C)C)C1CC1	705374571	DRBZQAUBUBULOT-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc([C@@](C)(O)C[C@H](C)CC(C)(C)C)cc1	709071218	NLICXQIRMLPJFY-PBHICJAKSA-N	248.410	4.665	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)(C)C)CC(C)(C)C	709205605	RHOQJZZOKLYQDE-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@@](C)(O)C[C@H](C)CC(C)(C)C	709252218	YRDFLUSDSFCJSL-UKRRQHHQSA-N	228.420	4.636	0	10	BJAE	
CCCCC1CCC([C@@H](O)CC(C)(C)C)CC1	713156675	ZRFUSWHLGYYHCW-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCC[C@H](CC(C)C)C1	713246883	YECMXVGSLDVHBN-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(C)(C)CCCC(=O)c1ccccc1	713370499	FEZRCPXNKQOKOX-UHFFFAOYSA-N	232.367	4.722	0	10	BJAE	
C=C/C=C\CC[C@@H](CCCCCC)NCCC	713687892	VVZHOADUQLVYQA-GQSKFBFOSA-N	237.431	4.847	0	10	BJAE	
C1CCC(CCNC2CCC3(CCC3)CC2)CC1	1199227897	OORKRXVURJYRJT-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)CCCN(Cc1ccccc1)CC(C)C	1559505663	MQLYTUWBFNFCNG-UHFFFAOYSA-N	247.426	4.581	0	10	BJAE	
CCC1(C)CCC(NC[C@]23CCCC[C@@H]2C3)CC1	1561008833	KBVKNYDVPVWBFF-RDHHWEPZSA-N	249.442	4.515	0	10	BJAE	
C/C(=C\Cl)CS[C@H](C)C1CCCCC1	1643879884	GGTHGAODLYRVBY-RJCSOLBVSA-N	232.820	4.831	0	10	BJAE	
CN(CCC1=CCCCC1)C1CCCCCCC1	1657170086	QGORXBVPGWOKGF-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)[C@@H](C)CC(C)C	1900716324	IQKZVOWOPQJUTM-DZGCQCFKSA-N	227.436	4.602	0	10	BJAE	
O[C@@H](CCC1CCCCCC1)c1cccs1	1901058583	NIYFEDFKKJBXKE-ZDUSSCGKSA-N	238.396	4.532	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CC)c1ccsc1	1905370216	XVXZRKVNKPKJFN-JSGCOSHPSA-N	240.412	4.562	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2C[C@H]2C(C)C)cc1	1910728118	WBKXLXHTEPCPGW-HOCLYGCPSA-N	231.383	4.514	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H]1CCCCCCCC[C@@H]1O	1913394123	ZVYORJXYVNAXCU-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CCC2(CCCC2)C1	1916417953	QSSSCGRHYJUPFQ-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C[C@]1(O)CCC2(CCCC2)C1)C(C)(C)C	1916428420	VLRDNBAAFVTJFC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C1CC(CC)C1	1921262952	YFOTUCSZAJLTOU-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)[C@H]2CCCC23CCC3)C1	1921586564	OQKAXSLJLQIWNF-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCCC1)[C@@H](C)C1CC1	1925893305	VZIUBWDLQGDYAG-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCCC1)CC1(C)CC1	1925921477	HOBUYFZFULITRM-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@H](CC)C(C)C	1941273197	QAHXXQDSJISORL-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](SCC1CCCCC1)c1cccc(N)c1	1941749803	MSOXSIDJHBLKRJ-GFCCVEGCSA-N	249.423	4.643	0	10	BJAE	
CCC[C@@H](C)[C@]1(O)CCCCCCCC1(F)F	1947509283	DMEASJHDVIZVOP-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CC(C)(CC)C2)C1	1948406865	GNNCQAAYQZGVKB-NNNQGMHWSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CC(C)(C)C(C)C	1949006455	KNJJZHNPSDJQPY-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CCCC1CCC1	1949015413	SLCKRULBCCTMIR-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](N)[C@H]1CCC2(CCCC2)C1	1949536352	ZOFAYMOJLGWTCE-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H](CC)C1CCCCC1	1950099683	HPQUSCGRBJFTSW-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CCCc1ccc(N[C@H](CC)CC2CC2)cc1	1950100608	OWXIXJIXTNSLSQ-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C[C@@H]2CCC[C@H]2C)CC1	1950931433	WYHPXALISQLVEA-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C[C@@H]2C2CCCC2)CC1	1966024207	ZNMILESFHJYDQK-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H](C)CCC1CC1	1968284290	FSCDXUFBNLFHDF-JTQLQIEISA-N	237.774	4.639	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)c1ccccc1C	1968414736	XXNNGFHCWAYPSP-HNNXBMFYSA-N	247.426	4.862	0	10	BJAE	
C[C@@H]1CCC[C@H](CN2CCCCC23CCCC3)C1	1969767351	KRVYUFUQWDWDQL-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC1CC(CNc2ccccc2SC(C)C)C1	1970343281	NWYMEUMNIHKBLZ-UHFFFAOYSA-N	249.423	4.645	0	10	BJAE	
CC(C)=CCCc1ccc(CC2CC2)cc1	1976017505	SJDLDJDKTFZTDS-UHFFFAOYSA-N	214.352	4.538	0	10	BJAE	
CN[C@H](CCCC(C)C)CCC(C)=C(C)C	1978497283	JCEVKTFIVOKLAZ-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC(C)CCCC[C@@H](N)c1cccc(Cl)c1	1980685861	WHUYAMPDKQJSAC-CQSZACIVSA-N	239.790	4.556	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H](CCC)CC(C)C	1984631215	ABWGTAHHOWZODH-CJKAQPIMSA-N	225.420	4.523	0	10	BJAE	
CC(C)[C@@H](C)CC1(N)CCCCCCCC1	1988313966	VVJKBCILPNPPTP-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCN(CCCCCC(C)C)CC(C)C	1990846775	TZLLOKWRBFJDMN-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CCCCN(CCC(C)(C)CC)[C@H](C)CC	1990873047	KZKBOGYIZPXEMO-CQSZACIVSA-N	227.436	4.713	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2c(C)cccc2C)C1	1995630504	OLYJMTYSOAVRQD-LSDHHAIUSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H](C)C[C@@]1(N)CCCC2(CCCCC2)C1	1996646108	BERAFAXGTRMVKH-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)CNC[C@H]1CCC[C@@H](CC)CC1	1997100141	LZNUXNDYKQGPAC-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@](C)(CC)[C@@H]1CCCC(C)(C)C1	2000160501	FPRWIRJRZRJNCE-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CNCC(C)C)C(CC)CC	2000515121	PWPHCQYBAGWDST-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCCCCC[C@@H](O)[C@H]1CCCCCC1(F)F	2000758283	UTBNKYPTNKVHDA-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CC12CCCCC2	2001259109	LCQMVOXVBKKLKX-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1CCC12CCC2	2001850975	KDGVGFSXLQPRPA-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@@]1(C[C@@H](C)CC)CCCC(C)(C)C1	2002989787	CDMHORFUQPBXOO-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2003019883	YBWAFICTXLOXQT-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CCCC[C@](CC)(CNC)CC1CC(CC)C1	2007754379	NVAFRUADUZVNFJ-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(C=C2CCCC2)CC1	2007920126	IKANUNGZFWWQKV-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CCC(C)(C)C	2007933998	FUKMBMKJLYQINK-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CCC2CCCC2)CC1	2009403938	ITYGAKOIAKDLSY-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC([C@@H](O)CCC2(C)CC2)CC1	2009549795	WXCLMYNQXBGOQJ-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@H](NCC)C1CCCCCC1	2009596815	VXRSABSXZKYZIC-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1	2011994882	FVVAPVJCPRELRD-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCC[C@@H](C)[C@@H]1C	2013263744	JEBRBOKLHKNEFW-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
CC[C@](N)(CCC(C)C)CCC(C)(C)C1CC1	2013297330	RTEMLKPFMJCRDJ-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CN(C)[C@H](C)C1(C)CCCC1)C(C)(C)C	2014396435	UWVTWIMHHZETND-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC(C(C)C)C(C)C	2015276497	YMRQRZBDMCZJNE-GDBMZVCRSA-N	242.447	4.882	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)c1ccc2sccc2c1	2015277942	KQJXWZLFXKXCGJ-FZMZJTMJSA-N	247.407	4.583	0	10	BJAE	
CCN[C@H](CC[C@@H](C)C(C)C)CC1CCCC1	2015411376	GCAWUOAHBILJTI-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@H](O)CCC2CCCC2)CCC1	2015631834	ARIHXRCRUFJLGW-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CCC[C@@H]1CC1(C)C	2016119666	MNWSQXYNTQGCLT-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCC1(C)CC(CN[C@H](C)CCC=C(C)C)C1	2016143864	HIMCGERZYSPEML-QQFBHYJXSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C(CCC)CCC	2017484758	AUKAWRYUUCCUCK-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCC1CCC(CC(=O)CCC2CCC2)CC1	2017772088	NIYGAJZHDPKWEX-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C(CC)CC)CC1	2017775509	CQOSMJXKNVFEEC-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1CC[C@H](COc2cccc(C)c2)CC1	2017776223	MCFGNLDCEQSWCV-SHTZXODSSA-N	232.367	4.590	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H]1CC12CCCC2	2018134075	KWIUVKFYHSERIS-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)CN(C)C1CCCCCC1	2019190415	FHPOFBGXDXLRNY-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)CCC(C)(C)CC)C1	2019204831	ZYAPLNMWKSNKDD-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCC1CCC(N(C)[C@@H](C)[C@H](C)CC)CC1	2019386186	RWKJHIOTMAXGMX-QVOMUQBLSA-N	239.447	4.712	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCCC12CCCCC2	2019407222	QBAHDKYEFWBHHX-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
C[C@H](C[C@]1(O)CCCCCC1(C)C)C1CCC1	2019790537	LQXAYATUBYLQMY-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(O)CCC[C@H](CC)CC1	2022448370	NJRYLMMMNOGQNC-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@H]1C[C@H]1C(C)(C)C	2022560042	LHGZIBUYDVIIGK-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)[C@]1(C)CC=CCC1	2023179050	FERYPUFBRUSVSM-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
C[C@H]1CC(N(C)[C@H](C)c2ccccc2)C[C@H](C)C1	2027033807	MLAZELUIXNJDTJ-RBSFLKMASA-N	245.410	4.504	0	10	BJAE	
CCC(C)(C)CC(=O)Cc1ccccc1C(C)C	2027498315	DSAWKQBHULNCJA-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
CC(=CC1CCC(C)(C)CC1)c1cccc(N)c1	2027957448	ROXHFTGOQFQLIN-UHFFFAOYSA-N	243.394	4.889	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NC)c1cccc(CC)c1	2028252803	QZRRKGQXEQNACR-IRXDYDNUSA-N	247.426	4.582	0	10	BJAE	
CCCC(CCC)[C@@H](C=Cc1ccccc1)NC	2028584333	UJTUXJSWSDIQDQ-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
CC(C)CC[C@H](C)c1ccc2c(c1)CC[C@@H](C)N2	2029839484	ZOSIXXKSXKZGSD-UONOGXRCSA-N	245.410	4.973	0	10	BJAE	
CC(C)[C@@H](Nc1cccc(C2(C)CC2)c1)C1CC1	2032243491	VYHDIXQNMNYKNI-MRXNPFEDSA-N	243.394	4.585	0	10	BJAE	
CCCC1(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)CCC1	2033061804	XMCAETJDCWCZEP-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(N[C@@H]2CC[C@H](C)[C@@H]2C(C)C)c1	2035408052	IXPCBMIWJVYONX-XKQJLSEDSA-N	245.410	4.732	0	10	BJAE	
CC(C)[C@H]1CCCC[C@H]1NC1CC2(CCCC2)C1	2036539449	SHUCEDRMYFQOFC-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
C[C@@](N)(CCC1=CCCCC1)CC1CCCCC1	2037169278	RXONSGALMMOWFE-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)CCC[C@H]2CC2(C)C)C1	2037178904	CGGOVJOPZZDNHE-TUUVXOQKSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@H]1CCC2(CC2)C1	2038568275	PDWQECKZWBTBJY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@]1(C[C@@H]2CC23CCCCC3)CCCN1	2039089455	SVNCKFHGHKEWET-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](c2nc3ccccc3[nH]2)CC1	2039364104	VFHFJNFWKXCSMY-LBPRGKRZSA-N	242.366	4.637	0	10	BJAE	
C[C@@H](NC[C@H]1CCCC12CC2)C1(C)CCCCC1	2039871552	FBKDTUGPDVIJKT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(CCN[C@@H]2CCCC3(CCCCC3)C2)CC1	2040766126	ZQKSAQQEOBRETD-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCc1ccccc1NCC12CCC(CC1)C2	2041247743	QAARYJGTRIOYJV-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
CC[C@H](N[C@@H](C)C1CC(C)(C)C1)c1ccccc1	2043544737	UFXCEKAEXFRFRA-BBRMVZONSA-N	245.410	4.552	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2[C@H]3CCCCC[C@H]32)CCCC1	2048441808	QTBXIANTRVCJLV-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2048473764	TYTJYYDTBWYBMD-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@@H](C)NC2CC3(CCC3)C2)CC1	2049412938	TUQKXVUDECICQC-WLYUNCDWSA-N	249.442	4.514	0	10	BJAE	
CCCC1CC([C@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049862873	XCLXXJGSBHUBJJ-BHDPWAOGSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC12CCC(CC1)C2	2051404504	BYOGRNDIVDOAEJ-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(N[C@H]2CCCCC23CC3)ccc1F	2053331562	JNGMDAMAUVJBOJ-HNNXBMFYSA-N	247.357	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2CCCCC23CC3)C1	2053353642	ASZVKEHAAPCJQD-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)NC[C@@]1(CC2CC2)CCCCC12CCC2	2053355131	AHUDHHQBQIAMBY-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(OCC2CC(C(C)C)C2)cc1	2056667318	DIJXJYRLDLKPJT-UHFFFAOYSA-N	246.394	4.871	0	10	BJAE	
CC1CCC(CC(=O)C2CC(C3CCC3)C2)CC1	2056677527	NEQNROMBZJJRCW-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCC1(C2CC2)CCCC1	2057604350	QIJKRHKAEFAKET-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](O)c1c(C)oc2ccccc12	2059221070	INCPDSZZEBVTGF-AWEZNQCLSA-N	244.334	4.521	0	10	BJAE	
CCc1ccc(Cl)c(SC)c1C(F)F	2060056080	LDPHTHFPHFIFCU-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C2=CC[C@H](C(C)C)CC2)C1	2061089620	VAYNYOKXROBLRD-YQFWSFKMSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)[C@@H](C)C2CCCC2)CC1	2061140905	QTTNDEUMLDHWPO-VBQJREDUSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@H](CCC1CCCCC1)NCCC	2061560611	HSKOELLGYIXKNG-QGZVFWFLSA-N	249.442	4.836	0	10	BJAE	
CCN[C@H](CC1CC(=C2CC2)C1)[C@H](C)C(C)(C)C	2061736108	BSMGRVUPUSPTMI-BLLLJJGKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1=O	2063427471	NJGNKJNZEMCPKL-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
Cc1cc2ccccc2n1CC(C(C)C)C(C)C	2068981160	JEBKUPAYOCIHAG-UHFFFAOYSA-N	243.394	4.878	0	10	BJAE	
CCCC1(C[C@](C)(O)c2ccccc2C)CCC1	2069340413	UWEQURZOLSUBRL-INIZCTEOSA-N	246.394	4.563	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)C2(CC3CC3)CCC2)C1	2069514539	KPAUJSZPLLGMFZ-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCN[C@H]1CCCCC12CCCCC2	2071473511	YAQKRMBPAIAUGU-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@@](CNC2CC2)(CC(C)=C(C)C)C1	2072407254	FUKNROAXRTUHIM-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](CC2CCC3(CC2)C[C@@H]3N)CC1	2072809216	MCNIEIBSBLZWCT-ZPBWDRIISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@@]12CCCC[C@H]1C2	2074024681	JQBVFWCIJUPOLZ-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@@H]1CCCCC12CC2	2074647365	WSNYDTSLZSNOIV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C)c2ccccc2)CC1	2075340541	DXWJPABBFILIQT-WKILWMFISA-N	245.410	4.729	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCCC2)CCCC[C@@H]1C	2075372781	JPIVCJZPWSGRLA-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@H](N(C)[C@H]2C=CCCCC2)CC(C)(C)C1	2075402209	VDAPZDFPVBZRBR-PMPSAXMXSA-N	249.442	4.632	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)[C@H]2C[C@](C)(F)C2)cc1	2077724645	FCDOSKBSTCSENC-DJSGYFEHSA-N	248.341	4.521	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2C[C@H]2C2CCC2)CC1	2079330404	YHCMRZOWIKKKFN-MTKIKNGMSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@@H]1C[C@H]1C1CCCCCC1	2079524627	WPENSGQWLJGKIF-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
NC1(C[C@H]2C[C@H]2C2CCCCCC2)CCCCC1	2079660298	LEMZNLLOEFXYRN-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(N)(C[C@@H]2C[C@@H]2C2CCCCCC2)C1	2079669624	IBOGKGGEDSGJOW-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCC1)C[C@H]1C[C@H]1C1CCCCC1	2079862717	JDSMKICDZVFFAA-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)[C@@](N)(C[C@@H]2CCCC(C)(C)C2)CCC1	2082975470	JBEQOXLKVKDGHE-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](C[C@H]1CCCC(C)(C)C1)C1CC=CC1	2082979400	NIBZOVWXVSFUPU-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C=C2CCCNC23CCCC3)CCC1	2083815966	MRJUCEHLEIRYLO-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC=C(CC)c1ccc([C@H](CC)NCCC)cc1	2084710985	ZJSNUAGQCFZADF-KRWDZBQOSA-N	245.410	4.951	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(C[C@H]2CC23CCCCC3)C1	2085307395	IQIKEGKIJIBCHX-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](CC)O[C@@H](C)c1ccc(N)cc1	2086295894	QGKXSJYVWDJBFE-XJKSGUPXSA-N	249.398	4.705	0	10	BJAE	
C(C/C=C/c1ccccc1)=C1CCCCC1	2210666188	BISYEMWRQGDFBP-NTUHNPAUSA-N	212.336	4.980	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CCCCCCC1CC1	2213581647	ZETPXURVAVUDHA-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)c2scc(C)c2C)C1	2213677800	PVYTZPKRRRLATQ-RNCFNFMXSA-N	248.391	4.540	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CC1(C)CC(C)(C)C1	2215385141	NBCDFKYGTIUCMW-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H](C)CC(C)C)CC1	2215824914	YMLYPLPBCJJAQJ-ZBFHGGJFSA-N	236.399	4.764	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(O)CCC[C@H](C(C)(C)C)C1	2216260746	ZXSNUYXRCXBWSG-YXWQFLTLSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc2c(c1)SCC2	2216716604	DZAQFMMORAVLKD-LLVKDONJSA-N	249.423	4.571	0	10	BJAE	
CCC[C@H](CN[C@@H](C)CC)CC(C)(C)C(C)C	2217135741	JTKXZRZJXZKPFN-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC1CC(CC(=O)CC2C[C@H]3CCC[C@H](C2)C3)C1	2218386387	UMVRZIVWAULHHU-GQKFXUNGSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)C/C=C/c1ccccc1	2219050275	SYAQCQWRKRMWLE-FPRCLYBRSA-N	246.394	4.667	0	10	BJAE	
CCO[C@H]1C[C@H](CC=Cc2ccccc2)C1(C)C	2219077714	FYIPGYJXVQFBGP-HOTGVXAUSA-N	244.378	4.541	0	10	BJAE	
CN[C@H](CCCCC1CC1)C1(CC2CC2)CCC1	2220024390	FMAOUBKHLTYODD-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)[C@H]2CCCC3(CC3)C2)C1	2221016464	OGBBFYCETSWASV-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCCCN(CC1(C)CC2(CCC2)C1)C1CCC1	2221066597	JFKMUVUCPLTMBO-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCNC[C@]1([C@@H]2CCC[C@@H]2C)CC=C(C)CC1	2221665143	FACKTNVLNLQJPD-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C[C@H](O)c1c(C)cccc1C)C(C)(C)C	2222011504	MRRINEOYRIHHQO-GJZGRUSLSA-N	248.410	4.799	0	10	BJAE	
C[C@H]1CCC=C[C@H]1NCCCCCCCC1CC1	2223117945	LKPREJXOWGEWTJ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1=CCCC[C@@]1(N)CCCCCCCC1CC1	2223124192	OIQCBPPXCVSYBH-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
Cc1ccn(CC[C@@H](C)CCCC(C)C)c1	2244835180	BCENSWYOUYDYGA-AWEZNQCLSA-N	221.388	4.649	0	10	BJAE	
CCCC[C@@H](N)CC[C@@H](C)CCCC(C)C	2244838301	UFFWDKCWUQKFNB-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](C)(O)CC2CCC2)C1	2246696437	XMJZJUQQMHXWBB-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CCCCCC[C@@H]1C[C@@H]1C)NCC	2248813902	JHZLZHXEUUFPOR-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@](O)(CCCCC[C@@H]1C[C@H]1C)C1CCC1	2248876667	CGLAOWRHVJKYMO-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C1CC(CC)C1)[C@H](CC)CCC	2250372297	OXTZCAFNRMLJNZ-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](C)(O)CC1CC2(CC(C)C2)C1	2250445130	OMLWVEVVKHHLCV-MYLOQMAZSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@]12CCC[C@@H]1CC2	2251118650	OJTHPNUNRZCNPT-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCN(CC(C)C)C[C@@H](C)C(C)(C)C	2252640037	OZKZIGZJAUPWTC-OAHLLOKOSA-N	241.463	4.673	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCCCC12CC2)C1CCC1	2253855861	PJCWXGZMQCXBDO-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1(C(=O)CC[C@H]2CCCCC23CC3)CC1	2253868621	UTMQYZHYXUARFT-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC1CCC1)CC1CC2(CCCC2)C1	2254104351	DETMJPAWZWJQNW-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(NCCCC[C@@H]2C[C@H]2C)cc1	2254544381	PHUPENRPDRFJAZ-GDBMZVCRSA-N	245.410	4.877	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@@H]1CCCC12CC2	2255250706	YUZLCSVUGOVXAV-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)CC1C[C@H]2C[C@@H]2C1	2257304418	RCFAYXGBKMVYNP-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccc2ccccc2c1	2259447324	MCOQNPFHYLVWIV-GUYCJALGSA-N	241.378	4.666	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(OC(C)C)cc1	2259465297	LBRAMGJGBHREKF-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC1CC2(CC(C)C2)C1	2259573832	KZSZDDHUGYBFFH-VTMVDAKESA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@]12CCCC[C@@H]1CC2	2260486262	JAFPLZAJLQWTIX-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@@]23CCC[C@H]2CC3)CCC1	2260494829	WLLCULCFICHVQV-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@@]12CCC[C@@H]1CC2	2260508657	QKLLLZBPGXSJBS-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@H](N)C[C@@]23CCCC[C@H]2CC3)CCCC1	2260582966	MEMNOYHBJVYLAQ-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
c1cc(NC[C@@H]2CC23CC3)cc(C2CCCC2)c1	2260670667	XBRGYGWGCCTPFL-HNNXBMFYSA-N	241.378	4.556	0	10	BJAE	
CC1CC(CCC(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2261508606	KUORFSFKGPDXPJ-SGALNCENSA-N	248.410	4.598	0	10	BJAE	
C1CC1=C1CC(CC2C3CC4CC(C3)CC2C4)C1	2263238042	LMGHRSSNFLYMMN-UHFFFAOYSA-N	242.406	4.949	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H]1CCCC[C@@]1(C)O	2298475388	NDQFEBWEQRAEGH-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC1(CNC(C)C)CC(C)C1	2300703228	CTVIFXNZJTWHAD-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@H](C)C1)CCCC(C)C	2300864552	BVFQKDMPBKYBCT-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@H]1CCCCCCCC[C@H]1O	2300868394	YMURVDKXCHVNTR-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
Cc1ccccc1-c1nc([C@H]2C[C@@H]2C)c(C)s1	2301187992	GWYXHMBVTUPXHM-GWCFXTLKSA-N	243.375	4.550	0	10	BJAE	
CCCN[C@H]([C@H](C)C(C)C)[C@H](C)[C@H](C)C(C)C	2301830037	UMUFJXMQLQRDNF-KLHDSHLOSA-N	241.463	4.575	0	10	BJAE	
CCC1(CC)CCCN([C@@H](C)[C@H](C)C(C)C)C1	2301966619	DBSLMHDJLFUDFA-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
C[C@](O)(CCCC1=CCCCC1)C1CCCC1	2302325472	HXIXRKZPKHPGNL-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCCCC1CC1)CCCC1(C)CC1	2302575504	XGLFSGKZDCRZFR-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCCC(C)(C)C2=O)C1	2302879041	WLISODKSPOYBDL-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H]1c1nc([C@H]2CC23CCC3)cs1	2304508011	IWARCXQUHBIYDH-WDEREUQCSA-N	247.407	4.704	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCCCC12CC2	2307834684	KSWAIWGWMPPOLZ-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)C1(C)CC(C)(C)C1	2307895193	PGOFYOFXIKUMFO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)[C@@H]1C[C@H]1CCC	2307898009	GTANFRYXMYNAKD-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@H]2CC[C@@H]3C[C@@H]32)CC1	2310900223	YVGKKHIHTOMWNC-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1[C@@](C)(O)CCCC(C)C	2315904244	BZCNHVTVTCNGQJ-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CC(=CCC1=C[C@H](N)C[C@H](C)C1)CCCC(C)C	2316506375	NKUACCRJGAYHDM-NVXWUHKLSA-N	249.442	4.833	0	10	BJAE	
CC(=CC[C@]1(N)CC=CC[C@H]1C)CCCC(C)C	2316523407	UECYZIYGRBGMKV-IAGOWNOFSA-N	249.442	4.833	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H]1C[C@H]2CCC[C@H]1CC2	2316692998	JYRWSSLXLNSHBC-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@@H](C)[C@@H](C)C(C)C)c1	2317628619	BJUXDZHYEHGVCK-JYJNAYRXSA-N	247.426	4.635	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@H](C)[C@@H](C)C(C)C)c1	2317628622	BJUXDZHYEHGVCK-XHSDSOJGSA-N	247.426	4.635	0	10	BJAE	
CC1CC(C)(CN(C)CCCC2=CCCCC2)C1	2318576765	ASMAECWQLHXSBH-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@H]2CC3CCC2CC3)C1	2319125381	CFBWVAZKHINNHZ-JYVUQVBGSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@@H]1CC[C@@H]1C1CC1	2319587707	IACFENNPILZCKG-VWNJHIHFSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2C=CCCCCC2)CC1	2320232134	QKBZSCYROHKPMY-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCCCC[C@]1(CNC2CC2)CCC(C)=C(C)C1	2320267676	HOEVJYFHGLMMMG-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CCC[C@@H]2C(C)(C)C)CC1	2320388956	VZPPNQNSGGMHFP-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CC[C@@H](CCNC[C@]2(C)C=CCCC2)C1	2321540415	AKSKQWVXIUNZFR-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1cc(C)ccc1C(C)C	2327679845	GUUDSUVAWYVLKK-MRXNPFEDSA-N	247.426	4.815	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)Cc1ccc(C)cc1	2328214567	YAOTZWNBXJCQIT-WBVHZDCISA-N	248.410	4.505	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@@H]2C)c(Cl)c1	20471328	HLDYQEYUFGRJGK-AAEUAGOBSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cc(C)ccc2C)cc1	21507359	WSQZIUZLXINXDH-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
Cc1ccc([C@@H](C)NC2CCCCCC2)c(C)c1	21813171	LJHWBJYDWBBHQQ-OAHLLOKOSA-N	245.410	4.677	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)c1ccc(C)s1	35458850	XPYGKZPHWOKAFL-JSGCOSHPSA-N	239.428	4.533	0	10	BJAE	
Cc1cccc([C@H](C)Nc2cc(C)ccc2F)c1	37245558	NDVDOVLGFMBITF-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@@H]2CCC[C@H](C)C2)c1	37248922	IEGZFDXNQUYHAG-VBNZEHGJSA-N	245.410	4.533	0	10	BJAE	
CC[C@@H](Nc1cc(Cl)ccc1C)c1ccco1	54082389	BOIZYVYWSPWSPU-GFCCVEGCSA-N	249.741	4.805	0	10	BJAE	
CNc1ccc(Oc2ccc(C(C)C)cc2)cc1	77388184	HWVQEICJHWPXFO-UHFFFAOYSA-N	241.334	4.644	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)c1ccc(C)c2ccccc12	79904594	ONUOSVMRFLWBTB-CXAGYDPISA-N	241.378	4.584	0	10	BJAE	
CCC[C@H]1CCC[C@@H](N[C@@H](C)c2ccco2)CC1	86939341	SJMRSVPBZAIEHT-SOUVJXGZSA-N	249.398	4.679	0	10	BJAE	
CC(C)[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1	87818743	QSZIHRCWKQMECX-JTQLQIEISA-N	247.769	4.582	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1CCCCCC1	87946513	RLJJLDOIPAORGX-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCS[C@H]2C)c1	94475767	OIEBITXAEODHDQ-WFASDCNBSA-N	249.423	4.506	0	10	BJAE	
CC[C@H]1CCCCN1C1=CC[C@H](C(C)(C)C)CC1	103540513	KUHGQWHOJHKCKZ-GJZGRUSLSA-N	249.442	4.981	0	10	BJAE	
CC[C@H](C)C[C@H](NC)C1(CC(C)C)CCCC1	162381133	CRSYDLVKPIMPEI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(CC2CCCCC2)C1	164786396	SRQRREKRGAQGKF-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
Cc1coc2c1CCCCCCCCCC2	196289851	VLOWJEUNNXOQPW-UHFFFAOYSA-N	220.356	4.807	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](CC)CCCC	225982718	NPXBHODVSOODFN-CABCVRRESA-N	227.436	4.904	0	10	BJAE	
CC[C@@H](N[C@@H](C)CC1CCC1)C1CCCCC1	229694812	OLDMANLMJZSYEK-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CC1(CN[C@@H]2CCC23CCCCC3)CCCCC1	232913754	ASFYPADVLOPVKD-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC2(C3CC3)CC2)CC1	233313396	LJFNTRUFDFRDPA-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C(=O)c1cc2ccccc2s1	233327018	QSMYXOFOBPZAKU-JTQLQIEISA-N	232.348	4.520	0	10	BJAE	
CCC[C@H](CC)Nc1ccc2sccc2c1	233345880	MKUGMVXCHGFKCZ-LBPRGKRZSA-N	233.380	4.892	0	10	BJAE	
C[C@H](c1ccc(C=O)cc1)C1CCCCCC1	259031609	VRFIPPSSEJBUTG-ZDUSSCGKSA-N	230.351	4.573	0	10	BJAE	
Cc1ccc2ccn(C3CCC(C)CC3)c2c1	301847070	CKSPZMRJQVQSHL-UHFFFAOYSA-N	227.351	4.701	0	10	BJAE	
CC(C)C[C@H](C)C(C)(C)[C@@H]1CC[C@@H](C)CC1=O	304580194	YHZQSYPVMWEOLT-HZSPNIEDSA-N	238.415	4.700	0	10	BJAE	
CSc1ccc2c(Cl)csc2c1S	306934079	GQQBRXBIZJBADK-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Fc1c(C(F)F)sc2cc(Cl)ccc12	306934455	GTXBDSPCNILHBE-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
Cc1c(Cl)cc2sccc2c1C(F)F	307504817	PPIHKJDZCCLBBV-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
Cl/C=C\CNc1cccc(-c2ccsc2)c1	309659406	XHEFQLIKTPKEFI-KXFIGUGUSA-N	249.766	4.580	0	10	BJAE	
CC1CCC(C/C=C/CCNC(C)(C)C)CC1	310135880	LXWQPVQZDRLXEZ-AATRIKPKSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@](C)(O)c1ccccc1C(C)C	310215316	VTRLJFBAFHBMST-MRXNPFEDSA-N	234.383	4.598	0	10	BJAE	
CC1(C[C@@H](O)c2csc3ccccc23)CCC1	310290945	YZQULCXTYNCGRP-CYBMUJFWSA-N	246.375	4.515	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@H]2CCC[C@@H](C)C2)c1	310958093	GGIFWIYUUPNQLU-DOMZBBRYSA-N	244.378	4.703	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H]1CCCC12CCCCC2	313028944	YQCXPPVPQWWEIQ-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNCC)CCC[C@H](C)C1	317143208	QLZGGQIHDAIBNE-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@@]1(CNC1CC1)CC1(C)CCCC1	318363678	XBLYJOPUMCFSCA-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCSc1ccccc1N[C@H](CC)[C@@H]1C[C@H]1C	322101731	YMIVYASTFSWMAD-JHJVBQTASA-N	249.423	4.645	0	10	BJAE	
CCCN[C@@H](CCC)C[C@H](C)C1CCCCC1	383622934	AENAVEXFHIVYIA-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(C)(C)C)NCC1CCCCCCC1	384490104	KJPBNTBDGSHYQT-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](CC)C1CCCC1	387543995	PWQJUMMCCXISKI-GOEBONIOSA-N	239.447	4.904	0	10	BJAE	
CC(C)c1ccccc1NC[C@]1(C)CCCS1	393001826	LJCSOIFQPMOHLY-HNNXBMFYSA-N	249.423	4.508	0	10	BJAE	
CC[C@@H]1CCC[C@@H](/C=C(\C)CNC(C)(C)C)C1	394533117	ZWQXKHPEFMXKBJ-XGWPRKDGSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@](C)(CCCCCC(C)C)C1CC1	394872179	TXDPTBMVEURJLR-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCOc1c(C(F)F)ccc2cc(C)sc12	396233774	CLQBLURGLOHXCX-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@@]1(C)C(C)C)c1ccccc1	397239919	RATXXFQQKYONMX-ULQDDVLXSA-N	245.410	4.552	0	10	BJAE	
CC(C)c1ccc([C@H](N)CC(C)(C)C2CC2)cc1	405705067	IRVLRRPFOHYUEM-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(OCCC(C)(C)C2CC2)c(C)c1	405978090	YNHWLBJKYYBDOL-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CCc1ccc(NCc2ccccc2)cc1Cl	575479183	FXOVALCWQJEJAZ-UHFFFAOYSA-N	245.753	4.515	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC(C)(C)c1ccccc1	686651273	BPIZXEFHIWIKKN-OAHLLOKOSA-N	248.410	4.542	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)CC1CCCCC1	692002089	WNYZTPDAFQEDFL-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@H](CC(C)(C)CC(F)F)NCC	694088242	QVWXRAIHOFGLHA-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC(C)(C)CCC(=O)C1(c2ccccc2)CC1	696559102	CXMURUOKXNMLDY-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCCc1ccc([C@H](N)CC(C)(C)CC)cc1	696562348	VUWRZWBKKPEKCZ-MRXNPFEDSA-N	247.426	4.855	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1cc(C)cc(C)c1	697775280	SSUSXHXHESQMRH-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCC(CC)[C@H](C)NC1C(C)(C)CCC1(C)C	699594172	XVAVRIKGMVXZBB-LBPRGKRZSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)CC1CCCC1	704459795	LTGCYBOOAYXDKA-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@@H]2CCCC[C@@H]2C)CC1	704796208	GEOQJKWCWXKLNI-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)c1coc2ccccc12	708315780	JFVZYQYLTLMWSY-ABAIWWIYSA-N	245.366	4.505	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1)[C@@]12CCCC[C@@H]1C2	709101199	ZZYQMDCFBMBTSM-ZOWXZIJZSA-N	249.785	4.721	0	10	BJAE	
C[C@@H](CNc1ccc(C2CC2)cc1)C(C)(C)C	709692028	SCAKPJZMDOVMNG-LBPRGKRZSA-N	231.383	4.658	0	10	BJAE	
CC[C@H](CC(=O)[C@H]1CCCC[C@H]1C)C(C)(C)C	711093054	IGEMMIYYOULMOD-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1C[C@H]2CCCC[C@H]21	712393085	WESWMJCPIJOQCC-YRGRVCCFSA-N	249.785	4.639	0	10	BJAE	
CCN[C@@H](CC(C)(C)C(C)C)[C@H](C)CC(C)C	713143590	NJTMCLQFPZTIBN-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CCC1(CC)NCC[C@@H]1CCC1CCCCC1	721795564	XYTOIMLHRVPXCQ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CC[C@@H]2CCC[C@H]21	722074367	HUJXQICPYWWKGQ-YSVLISHTSA-N	243.394	4.801	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	723639075	IISXCMWRRCXBNI-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1ccc(Cl)cc1	1308324163	BOUHKFCJTUJPCX-SWLSCSKDSA-N	249.785	4.744	0	10	BJAE	
C=C/C=C/CCN1CCC[C@H](C)c2ccccc21	1473364404	WBIGUEJXSWIFRW-RGDDUWESSA-N	241.378	4.523	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NCC1CCC2(CC1)CC2	1643344418	MHWPVKQXEAFTII-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@@H](N)CC1(C)CCCC1	1900694581	AIEIRADEHFHIEK-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@@](O)(c1ccccc1)C(C)C	1919886422	SFNUALQQGYTAIA-KRWDZBQOSA-N	248.410	4.603	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@@H]1CCCC12CCC2	1921605805	PKPNAKXPAJNESE-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC1(Cn2ccnc2C2CCCCC2)CCCC1	1923565141	BTJCTWHATUHYSR-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@H]2C=CCCCC2)C1	1925769692	UERREEZSXJFVEE-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CCc1cscc1C[C@@H]1C=CCCCC1	1925816943	LOPOVQDHKQORAQ-GFCCVEGCSA-N	220.381	4.599	0	10	BJAE	
CCC1([C@H](C[C@@H]2C=CCCCC2)NC)CCCC1	1925909220	BSVSRTBVIVUJPO-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC(C(=O)CCCC(C)(C)C)C1	1939095474	ILTUKGSZPSBCCQ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CC2(C)CCCCC2)C1	1940409141	NTFNUKWNFBDCIM-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1(C)CCCCC1)NC	1940413615	FEWYTSAQXSHLGK-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@H]1CCCC1(N)CCCCCCC1	1940881802	NMMOFLWPYGLOEA-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@@H](CC)C(C)C	1941268142	BJUIIQAPDIIIDL-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C[C@H](C)CC	1941812959	FIPSIUIEFIXVAX-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1CCC(C)(C)CC1	1942653308	PDDWHKBXCPPMME-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](C(C)(C)C)C(C)(C)C1CCCCC1	1944630526	DJPAUVXIDABREN-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CCC[C@H]2C)CC1	1944847254	VZTXHYMGGPGBIQ-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCC(C)(C)C1)CC(C)(C)C	1945580292	XJHQMDJPZPQWER-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCC(C)(C)C1)CC(C)(C)C	1945580293	XJHQMDJPZPQWER-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC(C)(C(=O)[C@@H]1CCC1(C)C)C1CCCCC1	1945728045	FHRYSVHPNPAENH-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@H]2CC[C@H]1C2	1947112870	PVWPZDZZZNRGPA-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)NC1C[C@@H]2CCCCC[C@H]2C1	1947859190	YBFVGZBOBHPPDH-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)C1(C)CCCCCC1	1948979266	JNNAFJRSAGNJIW-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C)CC[C@@H]1CCC2(CCCC2)C1	1949551857	NHTXBNDLCHFXAI-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)C(=O)C1)CC(C)(C)C	1949661706	YTHUGZATWFINQQ-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)[C@H](O)C1)CC(C)(C)C	1949677572	JAEMCRIGJBYHFC-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCCC[C@H](N)CC1CCCC1	1949864609	PBZGOZZXLKPKMI-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)C[C@@H](O)[C@H]1CCCC(C)(C)CC1	1950913299	GCYUNEUQZHDYRB-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(OCC)c(OC)c1	1951309329	XJUDVBDROHRGBJ-CYBMUJFWSA-N	248.366	4.554	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1ccc(C(C)(C)C)cc1	1968275864	QWGLAHHKANFFAK-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCc1ccccc1C(C)C	1969916712	CZNOCNRCPIWTFP-LSDHHAIUSA-N	247.426	4.724	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)c1csc(C)c1	1970829825	RMHLTUKZCYYCOH-TZMCWYRMSA-N	239.428	4.676	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1(CC)CCC1	1978633722	OVKINNOSCLCCBJ-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CC=CCCC[C@@H](O)C[C@@H](C)CC(C)(C)C	1984607727	QIAXLRANTSKVOQ-ZIAGYGMSSA-N	226.404	4.556	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@@H](O)CC)CC1	1989811012	YYUACBPEJKHOPD-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1cc(C)c(C)s1	1989984367	NSGURKXNXGQWLM-OCCSQVGLSA-N	240.412	4.615	0	10	BJAE	
CC(F)(F)CCCCNc1ccc(Cl)cc1	1993566636	KALVVQBDPYUQBM-UHFFFAOYSA-N	247.716	4.577	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H](C)[C@@H](C)CC	1995204649	QJMLNTGFCNVSIY-IHRRRGAJSA-N	226.404	4.844	0	10	BJAE	
CCCCC[C@@H](CC[C@@H](C)CCCC)NC	1995259420	MXGGVRPTNBPQOJ-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
C[C@@H]1CC[C@@H](CC[C@H](O)CC2CCCCC2)C1	1996263808	BQQLVFGYTYHQBL-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)CCC2CC2)c(C)c1	1996362364	NSHSCGRAJOFTAB-CQSZACIVSA-N	231.383	4.602	0	10	BJAE	
CC[C@@H](C)CN[C@H](CC)C1CCC(C)(C)CC1	1996595291	UTMIVVLEWPKGCF-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)[C@@H]1CCCC(C)(C)C1	2000143459	NTKJXBWBFZQECK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000176546	PGFQQIAVVITHKS-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@H]1CC1(C)C)C(CC)(CC)CC	2000376420	MSYOZRHNIINEGF-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)NCC1(F)CCCCC1	2001385401	SJUAQLXEAFBFLS-CQSZACIVSA-N	243.410	4.607	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)C1CC(C(C)(C)C)C1	2002306383	NNAZOKHSCBDFQJ-URGYJCLVSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CN(C)[C@H](C)[C@H]1CCC[C@H](C)C1	2002992005	XWBMTFRAXXKNRK-ZNMIVQPWSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H]1CCCCCCC1=O	2003116480	IZQZRHQSTVNIPF-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CC[C@](O)(CC1CCC2(CC1)CC2)C(C)(C)C	2003208876	RCHHFNVINBEWHR-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1CCCCCC1	2004235075	WNDIACXAXRWYEZ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@H](C)NCC1(C)CCCCCCC1	2004936794	FLVQYZMALOOWFL-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCCCC12CCC2	2009569213	MMBYJTLQVVHZGZ-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCCC[C@H](NCCC)C1=CC[C@@H](C)CC1	2010615041	YPEKLXOPIQTIPY-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@H](O)C1=CC[C@H](C(C)C)CC1	2010716362	FESCWOATQBPQTH-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@@H](CC)CC(C)C	2010994346	FKCOYYBLMMRMCT-JKSUJKDBSA-N	237.431	4.548	0	10	BJAE	
CC/C=C\CN[C@H](CC)C1CCC(C)(C)CC1	2011033467	ULCWUCKMLGSTBV-ZPIQOJFGSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2012009243	OAFWQILMJKOBTN-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(N)C1(C)CCCC1	2014341013	VHPSTVPZMCZQFZ-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCN[C@@H]1C(C)(C)C	2014549184	KCNMJBMLADBRLI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)(C)C)C[C@@H](C)C(C)C	2015277640	INTDKIMHISTNFU-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC(=O)C(C(C)C)C(C)C)C(C)C	2015378914	MVMXABMSQFWELJ-UHFFFAOYSA-N	240.431	4.802	0	10	BJAE	
CCCC[C@](C)(CN)C[C@H]1CC[C@H](CC)CC1	2017727830	FAOBZJHKWGZNSO-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC[C@H](N)C2)CC1	2017736453	YCFWEMXISTUYKS-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCC[C@@H]2C(C)C)CC1	2018960632	NAMTVFNEIPDREZ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCc1ccccc1O[C@@H]1C=CCCCC1	2019540775	KWUFSRQIGXGVRE-OAHLLOKOSA-N	230.351	4.517	0	10	BJAE	
CCCN[C@@H]1[C@H](CC(C)(C)C)CCCC1(C)C	2020352182	QDSIXNVRCYKHLA-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN(C[C@H](C)C(C)(C)C)C1CCCCCC1	2020501964	PJKNNPOCXBRXEV-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCc1ccccc1CN[C@H](C)C[C@H](C)CC	2027902506	ZPXHYAQSQUSFDB-HUUCEWRRSA-N	247.426	4.553	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)C1CC2(CCC2)C1	2032340821	DQHDTHRCDQSVQQ-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc2[nH]ccc2c1	2035424916	RGYWDZRDTMQZOF-BLLLJJGKSA-N	242.366	4.549	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@]2(N)CCCCC23CCC3)C1	2035922864	HFZFVKPHZZFWAS-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCC1(N[C@H]2CCC3(CCCC3)C2)CCCCC1	2036771043	KNGPJUWNOSUTHL-HNNXBMFYSA-N	249.442	4.802	0	10	BJAE	
C[C@@H]1CC([C@H](N)C2=CCCCCCC2)C[C@@H](C)C1	2037077768	FZRKBCKLGYZFRB-GRDNDAEWSA-N	249.442	4.667	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@H](c1ccccc1)C(C)C	2037215641	PJPCSZFAMDSQIB-JKSUJKDBSA-N	247.426	4.580	0	10	BJAE	
CCC[C@](N)(C[C@H]1C=CCCCC1)C1CCCC1	2037272825	GOFHNKKWNQOGND-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
C[C@](N)(CC1CCCC1)[C@@H]1CCC2(CCCC2)C1	2037580388	KQCUZZNURIMUBA-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C[C@@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2037972393	MRXQASUISNAYOM-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCC1(CNC2CC3(CCC(C)(C)CC3)C2)CC1	2038935257	YSSPTYRDOOMLLL-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H]1CCC[C@@H](C)CC1	2039363896	SOXCFNHHSUVXQV-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@@](C)(N)C2CC3(CCC3)C2)CCCCC1	2043549109	CYBNNRBJCWVAKD-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@@H]1CCCC(C)(C)C1	2045402225	XFPYCDBGJPIREB-HIFRSBDPSA-N	249.398	4.537	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCCC(C)(C)C2)cc1C	2045453400	ZEFIHEBZDHXNNR-OAHLLOKOSA-N	244.378	4.703	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@@H]1C(C)=CCC[C@H]1C	2045806054	KEFBVCHQNZIEBO-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CC12CCCCC2)C1CCCC1	2047064269	CVLJRQMDUZPAPY-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CNC1CCC(=C2CCC(C(C)(C)C)CC2)CC1	2048954613	XYHFVPZTASWZAY-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C(=O)C1[C@@H]2CCCCC[C@@H]12)C1CCCCC1	2049173305	RHULXUKUUOKWFQ-NWANDNLSSA-N	248.410	4.598	0	10	BJAE	
O[C@H](CC1=CCCCC1)CC1CCC2(CC1)CC2	2049825683	GNERPHNFUBTRQT-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1CCC2(CC1)CC2)CC1CCCC1	2049847433	BEGWDPAIZIKGFL-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
Cc1ccccc1[C@@H](O)CCCC1CCCCC1	2050442193	TZYFXYWIHCHCEM-KRWDZBQOSA-N	246.394	4.779	0	10	BJAE	
CC1CCC([C@H](N)C2(C)CCC3(CC3)CC2)CC1	2056555880	BKKQHSNGMUCZPM-NRXISQOPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2CC3(CCC(N)CC3)C2)C1	2056617690	VSLKLYBELCRLDM-KPLZDEIPSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@]1(C)CC=CCC1	2056869651	CYBRZBIDEFVKOT-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)c1cocc1C	2056882208	IBQSPZUXBMWJAU-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C1(C2CCC2)CC1	2059261240	COCTYEBIBSXAMZ-LLCTXKFZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@H]1CC[C@H](CC)C1	2060925128	IXLDQSFTMSSXIQ-NXNVCVFFSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C)CC1)[C@H]1CC[C@H](C)CC1	2060925459	LAOBZLBWWJASNH-OTRWWLKZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC[C@]23CCC[C@H]2C3)CC1	2061575202	PSCFFPMISYWRJY-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
O=C(CC[C@]12CCC[C@H]1C2)C1CCCCCCC1	2061605829	IFZHVLYNLMUELT-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC23CCC(CC2)CC3)C1	2065262013	DQSOMKXMFZALKE-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1CC12CCC(CC1)CC2	2065336033	WKGFPCGCYSOFFY-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
N[C@H](C1=CCCCCCC1)C1(CC2CC2)CCC1	2069513519	CZGABHKXFLBPEJ-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CCCNC[C@]1(CC2(CC)CC2)CCCC12CC2	2074624037	NBSVMNCZIBCVAD-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCC(C)(C)C(=O)CC1CC2(C1)CC1(CCC1)C2	2083605123	BIEPDRFWJSMMJT-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H]1CCCNC12CCCCC2	2083815605	HYIWRGQKHVXBJW-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(Cl)ccc1NC[C@@H](C)C(C)C	2212631124	KYFVKIJBLLMWBL-LLVKDONJSA-N	239.790	4.606	0	10	BJAE	
Cc1cc(NCC2C[C@H]3CCC[C@H](C2)C3)cs1	2213296257	INPMRFXJYPHMNZ-STQMWFEESA-N	249.423	4.685	0	10	BJAE	
CC[C@](N)(CCCCCCC1CC1)[C@H]1C[C@H]1C	2213573234	FNEDROPKOIBRKO-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@H](N)CCCCCCC1CC1	2213575899	KLGQEGMZITXPFQ-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CC[C@H]1CC1(O)CCCCCCCCC1	2214970240	IYRJWPCWDCMFKM-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CCC1CCC1	2214997943	FAZUVFBVJNFEJS-UHFFFAOYSA-N	247.769	4.793	0	10	BJAE	
CC=CCCCN[C@@H]1CCC[C@H](C(C)(C)C)C1	2216248493	XVIZXHTUUDBGBT-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C[C@]1(C)NCCCCCCCC1CC1	2216884704	YEYOZQYBNFHVLD-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NCC1([C@H](C)CC(C)C)CCCC1	2217133943	FYPHTGHSKREYSW-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CCC(C)(C)C)C1CCC1	2217158093	YHYCWFODGICNRR-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CCC[C@@H]2C[C@@H]21	2217277475	PPWVNEWNVCORDV-OSAQELSMSA-N	249.785	4.503	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218342448	BLTUEOUHQBNCPP-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218349344	GLWDNQMYLLETCN-YYIAUSFCSA-N	249.442	4.667	0	10	BJAE	
N[C@H](C[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCCC1	2218353883	MGUKPFGVUXHCMK-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CN(CCCCCCC1CC1)[C@H]1C=CCCCC1	2218675507	VFNPIGITVZHHHK-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
C(CCCC1CC1)CCNC1(CC2CCC2)CC1	2218719280	XELCOKASDQETIM-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2220961856	OTIRYHHFJMMBJP-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(NCC2(C)CC3(CCC3)C2)c1F	2221025042	HOWBLCLXCJZKAN-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2(C)CC3(CCC3)C2)C1	2221085341	DPUNWZZFQMVUST-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)[C@@H](CC(C)C)C(C)C	2222008662	ILENRFLEGROJMN-DOTOQJQBSA-N	247.426	4.622	0	10	BJAE	
CC1=CC[C@](N)(CCCCCCCC2CC2)CC1	2223133000	QUPZFUJEFWFGLF-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC[C@H](C)Nc1cc(C)c(Cl)cc1Cl	2242380708	LCYWRQWJABGQFO-QMMMGPOBSA-N	232.154	4.512	0	10	BJAE	
C[C@H]1C[C@H]1CCCCOc1ccc(Cl)cc1	2243065628	GCQAWPDXWBVBHS-NWDGAFQWSA-N	238.758	4.545	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)c1ccc(C)s1	2244782920	OQPVZTJLTUJPIZ-GXTWGEPZSA-N	239.428	4.533	0	10	BJAE	
CC(C)[C@@H](C)C(=O)CC[C@H]1CCCCC12CC2	2246630617	PYJILSMYNLINDN-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)CNCC[C@@H]1CCC[C@@H](C)C1	2246686766	JBPIAOOFVNMWIV-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1CCC1(C)C	2247444363	MGQWQIIJFBKJNZ-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
Cc1scc(C(=O)C[C@@H]2CCCC23CC3)c1C	2247648976	WXJWCDTYSRIUTA-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](O)CCC1(C)CC1	2248842910	SCFZBLKPVBQCJA-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(-c2ccc(C3CCC3)s2)ccc1N	2250255495	DFFRZDUBBVZPSU-UHFFFAOYSA-N	243.375	4.573	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCC[C@H]1CC1(C)C)NC	2250355028	IZNOQMWPNKPBNU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCN[C@@H](C)C1	2250472293	BFKGVRWBDZMGHL-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C(CCC[C@H]1CCCCNCC1)CCC1CC1	2250499818	CTZHTUICFMCVCF-HNNXBMFYSA-N	237.431	4.517	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)[C@@H](C)C(C)C	2250518417	SEAGVWXZYHYGNB-OWCLPIDISA-N	241.463	4.848	0	10	BJAE	
CC1CC(CCC(=O)CC2(C)CC(C)(C)C2)C1	2251758582	CNBIETBBJUYGOS-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1CC2(C1)CC([C@@]1(N)CCCC(C)(C)CC1)C2	2254471373	SQCYBCQBXYMXOQ-UJCFSERGSA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC1(CCCC[C@@H]2C[C@H]2C)CC=CC1	2254592559	GOBOZQFQGHQYPR-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)C[C@H]2CCCC23CC3)C1	2255224949	GLIZEWLVEZBOHZ-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC[C@@H]1CCCC12CC2)c1ccc(N)cc1	2255234923	QXYZCTNZWNZEPA-HIFRSBDPSA-N	243.394	4.733	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cccc(CC(C)C)c1	2259437709	MOVMKGVEJGLYGQ-HNNXBMFYSA-N	246.394	4.894	0	10	BJAE	
Cc1c(N)cc(F)cc1-c1ccccc1C(C)C	2259595377	BCWDXSJEGRDNSR-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@@]12CCC[C@H]1CC2	2260499882	HIDKVGHYRZWBQW-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NC[C@@]23CCCC[C@H]2CC3)c1C	2260578322	KZYHSBPFDNFFPX-RDJZCZTQSA-N	243.394	4.686	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@]23CCCC[C@H]2CC3)C1	2260679211	PXRZLTWXBAPYIR-BHYGNILZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1[C@@H](C)Nc1cccc(C2CCCC2)c1	2260738090	PKLZUQVEHUYHRA-PBFPGSCMSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@@H]1[C@H](C[C@H]2C=CCCC2)CCC1(C)C	2261442013	FGSPPBLBBLTRMI-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1C[C@@H]2CC[C@H]1C2	2298417000	IUNYXJHBTFDXBB-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@H](C)CC1CCC1	2298936483	QKRWIHJRNSWELC-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@@H]1CCC[C@@H](C)C1	2300685718	ICGKILIGIUNSPF-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC1(N)CCC2(CCC2)CC1	2300702232	WIDGFYVEGYWNFX-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H]1CCCCC1(C)C	2300909700	QREXWKDTJDFNRJ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCc1ccc(C(F)(F)F)cc1C	2300929255	NRKWGJVYAPPZIW-UHFFFAOYSA-N	242.284	4.913	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](CC2CCCCCC2)N1	2301246894	KRJXTLYXYXSBRE-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)[C@@H](C)C(C)C	2301960921	GDTCXDRYLBQQRK-KBPBESRZSA-N	233.399	4.903	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1ccc2sccc2c1	2301961213	IUGPHKSZJFGYCG-VXGBXAGGSA-N	247.407	4.994	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)CCCC1=CCCCC1	2302358982	LZHJGEOGIIWVSB-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CCCCC(C)(F)F	2302619757	JCPSRADCUBHLMG-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCCCN(C[C@@H]1CCC(C)(C)C1)[C@H](C)CC	2302875055	DDNPWAWUOVFEFH-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C(=O)CC[C@@H]1CC[C@H]1C1CC1	2303157130	ZCJLJBJFJIVPPZ-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
CCNCC(C)(C)CC[C@@H]1CCC(C)=C(C)C1	2303594535	IPGJAPUIXXQETI-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)C[C@H](C[C@H]1CCC(C)=C(C)C1)NC	2303595108	OUBQPFGZSQVHEO-VBNZEHGJSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(N[C@H](CC2CC2)C2CC2)cc1Cl	2303737811	JDRDPBSIKQMCIK-OAHLLOKOSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC[C@@H]1CCC(C)(C)C1	2304417396	CFWDFPYWKHTOIW-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCCC12CCC2	2307840878	HBLHPIMOMWWPCH-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)CC1(O)C[C@H]2CCCC[C@@H]2C1	2307847395	ZYOFZPXAPTUCFF-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(C)(C)[C@H](NC)C1	2307906415	FDDVGROBKUBZFS-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@]1(C)C[C@H]1C	2307910398	NRJGKYDKKNVITR-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](NC)CC(C)(C)C1	2307910731	ZJAPQWNDUPWHFH-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@H]1CC[C@@H]2C[C@@H]2C1	2309402389	TZEJCLPSRKXYBM-WCVJEAGWSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312871051	SFLAVUBTWUWBFV-QEOTZNIISA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCN1CC=CCC12CCCCC2	2316238184	LCMBMUCOMGDXLB-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@H]1CCCCC12CCC2	2316503095	OBNZMYHJSRHDNA-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@H](N)[C@]1(C)C=CCC1)CCCC(C)C	2316578167	CWWMRRYUYKMBQW-DLBZAZTESA-N	249.442	4.833	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H](C)[C@@H](C)C(C)C	2317836310	ULHBEASXBBZGMC-JJRVBVJISA-N	248.410	4.772	0	10	BJAE	
CCC1(C[C@@H](CCC2=CCCCC2)NC)CCC1	2317912340	OFPDEUPMNDLCFJ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
Cc1nc(NC(C)(C)C(C)(C)C)ccc1C1CC1	2318208905	CCMKWQMXAJIBPD-UHFFFAOYSA-N	246.398	4.504	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)CCC[C@@H]2CC[C@@H]21	2318577111	CNKWCDCKAKBNKD-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
CCNC[C@H]1CCC[C@H]1CCCC1=CCCCC1	2318582702	GTJRFQMDOZYDDJ-IAGOWNOFSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)C[C@@H]1C=CCCC1	2318931093	CAJWYLXFEAPYHY-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC2(N)CCC(C3CC3)CC2)C1	2319037554	SLKRQAVOVTULGD-BZOOQXSSSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1cc(F)ccc1C1CC1	2319172844	BQXMBZCAKBTVII-LLVKDONJSA-N	248.341	4.568	0	10	BJAE	
CC1(C)CC[C@@H](C[C@](C)(N)C23CCC(CC2)C3)C1	2319311376	JUMBVRILXSDVPN-HTUOJYHCSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CCCC[C@@H]2C[C@@H]21	2319445732	HWSLLZSRUDMLEY-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC[C@H]2CC[C@@H]2C2CC2)CC1	2319747580	GJXBEUKLKUYXRG-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H]2CC23CCCC3)CC1	2320410204	BPRVZTIEAQCQHN-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
CCC[C@H](CC)[C@H](N)Cc1cccc(C(C)C)c1	2320662752	HAXSCMIHEXRMIA-DOTOQJQBSA-N	247.426	4.506	0	10	BJAE	
CC1(C)CCC[C@](N)([C@H](CC2CC2)C2CC2)CC1	2320762659	QDDZMVNVANRCBL-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)C(C)(C)C(C)C)c1	2327677878	NOPKBGKHRUCADO-MRXNPFEDSA-N	248.410	4.834	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)c1F)[C@@H]1C[C@H]1C	2327807831	MIXSCCIFNPGKLK-BNOWGMLFSA-N	249.373	4.796	0	10	BJAE	
CCC[C@@H](CC)C[C@](CC)(CO)c1ccccc1	2328213973	SYBCZNPXRYQBJZ-NVXWUHKLSA-N	248.410	4.543	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](NC)c1cccc(C)c1	2328293883	QTKHVYADNYEZEW-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CC[C@@H](C)CCCCCCCCCCCN	14593463	PKFQANQONAAVFD-OAHLLOKOSA-N	227.436	4.892	0	10	BJAE	biogenic
Cc1cccc(N[C@H]2CC[C@@H]3CCCC[C@@H]3C2)c1	37185370	MRPKRIOICXSKGQ-UXLLHSPISA-N	243.394	4.766	0	10	BJAE	
CCCNc1ccc2cc([C@H](C)CC)ccc2n1	70494184	MXPWBUWKIOJZMP-GFCCVEGCSA-N	242.366	4.570	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H](C)CCCC(C)C)C1	71106981	GIBRYJTYSJDRHG-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCCCCCc1cccc(C(F)(F)F)c1	79274945	GSAVYPYZLDKAQN-UHFFFAOYSA-N	230.273	4.828	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)C[C@@H](C)CCC	82816899	LLKUNAYZOMXKBA-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](O)(C2CCCC2)CC1	86961378	LJHJRGJVYFDFLC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	93523767	JDPTTYQPEXKPCN-MXGMQVIZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1ccc(C(C)C)cc1	103940656	VSLIKNZXWLULLW-CZUORRHYSA-N	233.399	4.636	0	10	BJAE	
CCCCCNc1ccc(C)c(C(F)(F)F)c1	109940392	HKKIGPFUVBLKAM-UHFFFAOYSA-N	245.288	4.616	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](C)CC[C@@H]1NCCC	110446008	INNGTFYBIYQIKH-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc(NCCCC(F)(F)F)cc1	133734515	IBIAJIGVGGQHNS-UHFFFAOYSA-N	245.288	4.564	0	10	BJAE	
Cc1cccc(N[C@H]2CCC(C)(C)C[C@H]2C)c1C	155832095	ZMPAIKUBFUIZPI-HIFRSBDPSA-N	245.410	4.930	0	10	BJAE	
C[C@@H](C[C@@H](O)C1CCCCCC1)CC(C)(C)C	157263370	LOXQJXCGVUFELY-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)[C@H](C)C1CC1	163499310	HPNMNBUDTJGMJH-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CC(C)CCC[C@@]1(N)CCCC[C@H]1C(C)(C)C	165672267	RKVGLHAGDSWRAZ-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C1CCC(CC)CC1	168728345	VGLXULJAFXLVNE-GRAKBVBRSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H]2CCC[C@@H](CC)C2)C1	221505317	XLGNEUAVUMGGKN-GEEKYZPCSA-N	237.431	4.514	0	10	BJAE	
CSc1cccc(N[C@@H]2CC[C@H](C)C[C@@H]2C)c1	221607159	KYZIYKXJLCWTND-SLEUVZQESA-N	249.423	4.645	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C1CCCCCC1	226795733	UDVLOBCMHVPGPV-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](NCCC2=CCCC2)C1	228582093	MVCKDEHGMDDLKH-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)c1cccc(C)c1C	229340046	RMOYEUIGHWKABL-OIISXLGYSA-N	245.410	4.520	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](N)(CCC(C)(C)C)C1	230790062	ZIWOYHWIVPFUSP-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cc(C)cc(N)c2)cc1	232055688	GOAOGFNOGRWMBM-CYBMUJFWSA-N	239.362	4.758	0	10	BJAE	
CCCC[C@H](C)NC[C@H](c1ccccc1)C(C)C	232987171	ZTSRKBBLNDFUQP-RDJZCZTQSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC)C[C@H]1CCC(C)C	250882175	VCLPWVJABDFWEA-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](C)c1cc(C)ccc1C	251836881	KXIXGIWTCZUETG-APHBMKBZSA-N	247.426	4.779	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H]1CCCC[C@H]1C(C)(C)C	252435465	JZPVFSABQIUKGT-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C)c1csc(Cl)c1	300353696	NWDBZBSKNPDBGW-NXEZZACHSA-N	245.819	4.631	0	10	BJAE	
C[C@@H](CCC1CCCC1)[C@@H](C)CNC(C)(C)C	302238341	BRQFDGQMNGGOFM-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CNc1c(F)cccc1Cl)C(C)(C)C	304272226	KTQKHHMJPHTIRS-VIFPVBQESA-N	243.753	4.573	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@@H](C)C(C)(C)C	304303341	PGROAXYQSGTEDY-LLVKDONJSA-N	239.790	4.743	0	10	BJAE	
C[C@H](CCC(C)(C)C)Nc1ccc(Cl)cc1	304322452	CIQRSRUZEKPJJX-LLVKDONJSA-N	239.790	4.967	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(O)CCC(C)(C)C	304414658	QDRSNJSMVWPBHF-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CCc1ccc(NC2CCCCCC2)cc1C	306040298	RSFHWWHGRGFKMB-UHFFFAOYSA-N	231.383	4.692	0	10	BJAE	
CC/C(C)=C\C(=C/c1ccccc1O)CC	309058846	IDKSBYPQOJXTNP-MIMPSMLTSA-N	216.324	4.542	0	10	BJAE	
C[C@H]1C[C@@H](CC2(C)CCC2)c2ccccc2N1	310125079	IXMMOPIPQCBEPJ-STQMWFEESA-N	229.367	4.555	0	10	BJAE	
CCCC1CCC(N[C@@H](CCC)C2CC2)CC1	310247423	WISSKUIYTRGQKG-BCLQGDPASA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CCC[C@@H]1CCC[C@H](C)C1)NCC	310486547	GAWLJMROYHBTLE-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC(C)C)C1CCCC1	382681908	UFYBZBHHJJKVRA-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@H](C)[C@H](C)CCC1=CCCCC1	384927856	HUBIAQMVKVEBBN-HUUCEWRRSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cccc2ccsc12	386268768	YOOOJPUHJNFWKK-AAEUAGOBSA-N	245.391	4.892	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CC23CCCCC3)CC1	387243506	JMXPXWAFXHTITJ-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC[C@H]1Nc1c(Cl)cccc1Cl	393735429	ODGCQJAQMRTTNT-SNVBAGLBSA-N	244.165	4.594	0	10	BJAE	
CCCCc1ccc(NC2CC(C)(C)C2)cc1	395314316	ZLXDICUISGWEAI-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H]1CC=CCC1)NCC	402322622	LFHBJSQOSYHBBY-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	403666011	UHLNZXYVKRLIEQ-BPLDGKMQSA-N	248.410	4.598	0	10	BJAE	
CC[C@@](O)(CC(C)(C)c1ccccc1)C(C)(C)C	686648559	BHNIQSMSRARGPV-QGZVFWFLSA-N	248.410	4.542	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)[C@@H](C)C(C)(C)C	688949241	MDGMSWJQNGFOHK-CZUORRHYSA-N	247.426	4.753	0	10	BJAE	
CC(C)CC[C@H](NC1CCC2(CC1)CC2)C1CC1	695693076	YHBSKFXDCRJMEX-INIZCTEOSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CCC1CCCCC1	696663146	ZFUWGDHUGRAUQQ-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C[C@H](C)c1ccccc1	696682588	JPHYKTHKNRTCKS-GOEBONIOSA-N	248.410	4.758	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](O)C(C)(C)CC	701069442	RNJXNSWVTXXRAC-CWRNSKLLSA-N	248.410	4.613	0	10	BJAE	
C[C@@H](N[C@@H]1CCC12CCCC2)C1CCCCCC1	703778245	WCWVRDDEEYFFRA-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCCc1ccc([C@](N)(CCC)C(C)(C)C)cc1	704927738	KNZUDUSZMOWHSR-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CC[C@@](N)(c1ccccc1C(C)C)C1CCCC1	704929461	RDZANZXHYNQBOZ-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC1CCC(C[C@H](N)[C@H](C)CC(C)(C)C)CC1	708314500	LMCPCEKZDROSKH-JYVUQVBGSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](C)(CNCC)C[C@H](C)CC(C)(C)C	709106914	PUBNPXIXYYJBMO-GDBMZVCRSA-N	241.463	4.865	0	10	BJAE	
C[C@H]1CCc2nc([C@H](C)CC(C)(C)C)[nH]c2[C@@H]1C	709272541	LLOMVMZQIUKXBG-QJPTWQEYSA-N	248.414	4.635	0	10	BJAE	
CCCC[C@@H](NCCC)c1cscc1Cl	710467800	ZHICFESNJGKQBZ-GFCCVEGCSA-N	245.819	4.632	0	10	BJAE	
Cc1cc(NC2CCCCCCC2)cs1	710697720	MBOFRHGCMZCPTG-UHFFFAOYSA-N	223.385	4.581	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)C[C@H]3CC[C@H](C3)C2)CC1	711189686	AHSUPCNGPKCPRX-QLPKVWCKSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@H]1CCCC[C@@H]1CCC(C)(C)CC	711293888	KXJAMZCJJJUWHO-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](N[C@H](C1CCCC1)C1CCC1)C1CC1	711833496	RUIYZEMSCDNRDY-DLBZAZTESA-N	249.442	4.514	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@H]1CC(C)(C)CC	713186153	UVOBWIOQBBKKOH-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@]1(CNC(C)(C)C)CC(C)(C)C	713313178	AZGJSIVKVQYCJR-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@@H](NCC)c1cccc(Cl)c1	713713217	YUSWRZPMTZMRSO-IYKSTZQJSA-N	249.785	4.513	0	10	BJAE	
C/C=C/[C@H](C)Cc1ccc(C(C)(C)C)cc1	714558082	APMXRGGJOCDWKG-YBJDMEARSA-N	216.368	4.739	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC(C)(C)C[C@H]1O	717540923	OZADWMNSCPCTIY-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
COc1cc(C)cc(CCC(C)=C(C)C)c1C	718689437	HFBJECUGNYICCB-UHFFFAOYSA-N	232.367	4.601	0	10	BJAE	
CC1(C)CCCCC[C@@H]1Nc1ccc(F)cc1	719277498	VIFVCNSRHCKFKJ-AWEZNQCLSA-N	235.346	4.597	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CCCC2(CC2)C1	723599397	KUMXZGFTXYOSHZ-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
Cc1ccc(CC2CC2)cc1OC1CCCCC1	725426111	NCXFAKHAMRDSAJ-UHFFFAOYSA-N	244.378	4.659	0	10	BJAE	
C1=C[C@@H](N2CCCC3(CCCC3)C2)CCCCC1	1193517304	QJUBLFOKMFCIKE-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
C=C/C=C/CCN(C(C)C)[C@H](C)c1ccccc1	1460174186	HTSAJLBUZLKRFT-FYCOFBDGSA-N	243.394	4.590	0	10	BJAE	
CCC(CC)N(CC)CCC1CCCCCC1	1654608130	FHPKCDWHCFNPCW-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCCC[C@H](NCCC1CCCC1)C1CCC1	1658184670	HNKSWFRQFCVUTQ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)CCCC(C)C	1660268035	MFNITLFZNHOLDC-KBPBESRZSA-N	227.436	4.616	0	10	BJAE	
CCC[C@@H](C)N(Cc1ccccc1)[C@H](C)C(C)C	1880409211	JWGMLXLCUBACKL-HZPDHXFCSA-N	247.426	4.722	0	10	BJAE	
CC[C@H](C)[C@@H](N)CC=C(C)CCCC(C)C	1900892964	OBGXVWIGUBWAKS-GJZGRUSLSA-N	225.420	4.523	0	10	BJAE	
CCc1cscc1NCCCCCC1CC1	1902382227	VQMCGTMMOXDQJK-UHFFFAOYSA-N	237.412	4.693	0	10	BJAE	
CCC[C@@H](CC)C[C@](N)(CC)C1CCCC1	1905362790	ROQPSHJDBPNDNF-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)CC1CCCCC1	1905433656	HKVJZOBVCOBZMH-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H](CC)CCC	1905454194	PNPOPXMCUDDGIO-ZFWWWQNUSA-N	227.436	4.747	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCC[C@H]1C(C)C	1907600738	LWXUGIYHMVWLOB-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@H]1C[C@H]1C(C)(C)C	1910706040	IXILXMNUXSNLCX-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
C=CC=CCCNc1ccc(Cl)cc1Cl	1911781911	QXEUMFWNKQBTKS-UHFFFAOYSA-N	242.149	4.538	0	10	BJAE	
C=CC=CCC[C@H](NCCC)c1cscc1C	1911962373	IMMBIVXINDEKHG-HNNXBMFYSA-N	249.423	4.620	0	10	BJAE	
C=CC=CCC[C@@H](N)c1cccc(C(C)(C)C)c1	1911966710	VLLOJECPKDNZLM-MRXNPFEDSA-N	243.394	4.506	0	10	BJAE	
CC(C)CCC[C@H]1CCCCCCCC[C@H]1O	1913404997	QTUXPMUPQZMNJR-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCC2(CCCCC2)C1	1915853152	WNLFTZHALKOSIJ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCC3(CCCCC3)C2)C1	1915872870	UQQZBHIEVWUTOS-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCc1cccc(C(=O)C2CC(C(C)C)C2)c1	1921288634	ZMHZKUHMDVZRRY-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCc1ccc(C[C@@H]2C=CCCCC2)cc1	1925831437	ALYOTBXRJCIFBS-MRXNPFEDSA-N	228.379	4.928	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCCC1)C1(CC)CC1	1925913203	YBCQROWLULMDOR-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)C1CCCC1	1925928896	ZVTYIHRXAUVFBG-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1CCC(NC[C@@H]2C=CCCCC2)CC1	1925932566	FGLPETWVMVJGIQ-KLAILNCOSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@H](CCCCCC1CC1)NC	1926339551	MIZKPGRIAVKCHQ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(CCC(C)C)=C1CCC(C)(C)C[C@H]1CN	1927177730	WCNZRPVRWKSKMC-AWEZNQCLSA-N	237.431	4.524	0	10	BJAE	
CC(C)c1csc(C2C[C@H](C)C[C@@H](C)C2)n1	1937457528	KCMJBHHAVRTLCW-GHMZBOCLSA-N	237.412	4.806	0	10	BJAE	
CC1(CC[C@H](O)c2ccc3sccc3c2)CC1	1940799007	NRDLVRBVUMCALV-ZDUSSCGKSA-N	246.375	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@H](CC)C(C)C	1941267283	PWZIIVKTUCLTHQ-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CCCCCC1CC1)C1CCCC1	1941595316	HVMCCBMAQMHKSG-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
O=C(CC1CCC=CCC1)c1ccc(Cl)cc1	1941794483	ZFSWTNGNXUIODP-UHFFFAOYSA-N	248.753	4.659	0	10	BJAE	
CCCCCC[C@@H](CNC(C)(C)C)C1CCC1	1942092616	GFHKJAVSNQTTRB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNc1cccc2ccsc12	1944838478	YOJGGUJWNZVDJR-DGCLKSJQSA-N	245.391	4.749	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](O)C1(C)CCCCCC1	1944866929	BMUXMGZIGFNGOA-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)NCCCCC(C)(C)C1CCCC1	1946187155	SMKLHJAQVACQRO-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
Clc1ccc2[nH]c3c(c2c1)[C@H]1CCCC[C@@H]1C3	1946274146	HVTKEGSZELMGCP-KOLCDFICSA-N	245.753	4.651	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1NC1CCCCCCC1	1947521271	CIJRKJIYDPXYHV-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCC(F)(F)CC	1947999021	YOUIMYCETJIOPW-CHWSQXEVSA-N	249.389	4.602	0	10	BJAE	
CC1(C[C@H]2CCC(C)(C)[C@@H](O)C2)CCCCC1	1949675806	DADUTGSZQPHVRB-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(CC(=O)CCC2=CCCCC2)C1	1949734420	PNHLRYSIOOENKX-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)C[C@]1(CO)CCCC(C)(C)CC1	1950909748	ZTYNDRDYCHKGMQ-INIZCTEOSA-N	240.431	4.782	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1cc(Cl)sc1C	1958159723	WXFLVWRGOMJUIT-NSHDSACASA-N	245.819	4.536	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1NC[C@@H]1C=CCCC1	1966151385	LPQFSBOVYMWQCM-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](NC[C@]1(C)C=CCCC1)C1CCCC1	1967837958	WQWHQVFFHCTJTD-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@H]2CCCCC23CC3)C1	1972729148	PXUSOPUHNOHXEE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCCCC12CCC2	1973164339	QZHMEKOMQHWNDE-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(=O)CCC1(C)CC1)C(C)(C)C	1984627402	MHLUBSSYHXWCOW-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@H](C)C(C)C	1990125589	NKVQOCSZHYBREZ-LSDHHAIUSA-N	227.436	4.569	0	10	BJAE	
CC1(C)C[C@H](Nc2ccc(Cl)cc2)C1(C)C	1994588671	UBACNGHCNBUEAJ-LBPRGKRZSA-N	237.774	4.577	0	10	BJAE	
CC(C)Cc1coc2ccc(C(C)C)cc12	1995461926	QIXLBCQGSLLQOZ-UHFFFAOYSA-N	216.324	4.755	0	10	BJAE	
CCC[C@@H]1CCCCN(C2CCCCCC2)C1	1995729630	SBFOWUVOHKESAM-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CCC1(CN[C@@H](C)C2(C)CCCCC2)CCC1	1995990795	KEDZUQPVRBVIOS-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(N[C@]2(C)CCCCC2(C)C)CC1	1997428908	JYZGNSAFRSXWLF-ZBCRRDGASA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](c1ccsc1)[C@@]1(C)CC=CCC1	1997546962	RSWRBPFJONEYEY-CABCVRRESA-N	249.423	4.535	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)[C@@]1(C)CC=CCC1	1997550106	DZPDMPSXZWNOFR-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](C)NC[C@]1(C)CC=CCC1	1997588659	QUSZLDNNFGWXQE-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CCCNC1(C2CC2)CCCCC1	1998189650	PWLPWWWCQQGULV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(O)CCC2(CCC2)C1	1998699528	RAVLRFYYWSTWLZ-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCNCC[C@@H](C)C[C@H]1CCC=CCCC1	1999996140	MCQPLOUVGVGOHM-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H]1[C@H](CCC(C)(C)CC)CC[C@H]1C	2002877691	VJTVFLXRCYAJDB-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCCCCC[C@@H]1CC=C(C)C	2004226456	HTLCJYAXBHTBAH-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)C(C)(C)C1CCCCC1	2006724666	BQRJGUQCPXNBLA-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC(C)(C)CC)CC[C@H]1C	2006957500	NBBWMCHUFCDZBW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C(C)(CC)CC)[C@H]1C	2006983602	LVECXWUHYDBYJG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@]1(CC2CC(CC)C2)CCCCCN1	2007812882	QUBJTAFUOULQTJ-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H]1CCC[C@H](CC)C1	2007863613	UDTAWHGWENXORA-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](O)[C@@H](C2CCCCCC2)CC1	2009409027	XXOOAGGXFLNCDF-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2CCC(C)(C)CCC2=O)C1	2009410700	LDQHITZLCYBUMN-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H](C)C1CCC1	2009629521	SUIUFXBOYKYCGG-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC12CCC(CC1)C2	2012821040	FMZSSBWJYSSYCC-SLTXQBBLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@H]1CCC(C)(C)C1	2013271208	PPVCDXJBVPZUHD-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1(N)CC(CC(C)(C)C)C1)C(C)(C)C	2014651490	BGEKGMYNUMADIP-FUJMWEONSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@@H]2CCC2(C)C)cc1C	2014905216	XSRXSXTXNWQENZ-ZFWWWQNUSA-N	231.383	4.540	0	10	BJAE	
CCCC1(COc2ccc(CC)cc2)CCC1	2015593966	GMQINWUZOARWBG-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CCCCC[C@@H](CC1(CCC)CCC1)NCC	2015640033	NPLVWVUBMLGOEF-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCC[C@H](Nc1ccccc1C(C)C)C(F)F	2015821009	NXTORAIAJILNOI-ZDUSSCGKSA-N	241.325	4.656	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2CCC(C)(C)C2)CCC1	2017128465	COSQKIFEGAGPTD-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@H]1CC[C@H](C)CC1	2017657807	ONXJWTNYPPIJKW-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@@H]2CCC[C@H]2C)CC1	2017663464	TXTCOKZOJJDHSK-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(CC[C@@H](N)C2CCCC2)CC1	2017721756	LIJPTZYRWGXKCL-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C[C@H]1CC[C@H](C)CC1	2017725428	RTBNEHCSFQSYEW-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)N(C)C1CCC(C(C)(C)C)CC1	2019403243	MSISVVPGTKLXJK-UHFFFAOYSA-N	239.447	4.712	0	10	BJAE	
FCCCCCNc1ccccc1C1CCC1	2021026254	OPTGKVAAISQIMK-UHFFFAOYSA-N	235.346	4.506	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H]1CCC(C)(C)CCC1=O	2022559061	BKLQGCCIUGXFSN-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)C[C@@H](C)CC(C)(C)C	2022562072	YOWMYYURDDUNDC-IPYPFGDCSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H]1C[C@@H]1C(C)C	2022625070	ZQFKQFLYQIGCKP-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)C2(C)CCCC2)C1	2024096179	UJOLQLJARDDCGZ-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CC[C@](O)(CCC2CCCCC2)C1	2025571155	OUAZFEYRRAPYQE-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H](C)CC(F)F	2026075197	SXDGGUOFNMNWJS-NEPJUHHUSA-N	248.357	4.843	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC1CC2(CC2)C1	2026139983	BLZFKINGYLTBSB-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC1(CC)CCC1	2026166118	HLJRKGQMKUAINF-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@@H](C)CCC(C)C	2026166877	MXTCYUIPGDYHGJ-JYJNAYRXSA-N	241.463	4.993	0	10	BJAE	
CCc1nc(C)cn1C1CCC(C(C)(C)C)CC1	2028125325	NDKFHCADANZKSO-UHFFFAOYSA-N	248.414	4.531	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](CC2CCC=CCC2)NC)C1	2028897925	QGXBLEAWIUNVRZ-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@]1(N)CC(C)(C)CC2(CC2)C1	2030282960	ZVHICSYXKLHUKT-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@]1(N)CCCC12CCCCC2	2032505966	LLKBTCDGWMJVJC-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)c(F)c1	2034259473	BSQFBXBTWKYMCV-GZBFAFLISA-N	247.357	4.515	0	10	BJAE	
CC(C)CCC[C@H](N)c1cccc(CC(C)C)c1	2037086910	GQCKRYHQDPRLJL-KRWDZBQOSA-N	247.426	4.711	0	10	BJAE	
C[C@H](C[C@]1(N)CC[C@H]2CCCC[C@@H]2C1)C1CCC1	2037163056	SXQKPAXVZQYDNI-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(C[C@H]2C=CCCCC2)CCCCC12CCC2	2037272467	XXSWQTWQZHICJK-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
N[C@H](CC1=CCCCC1)[C@H]1CCC2(CCCC2)C1	2037588339	VAVGJIGODQRICH-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
Cc1cc(F)cc(C(=O)[C@H]2CCC[C@H](C)CC2)c1	2039375837	PUOFUGQLQYGSJK-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@H]2C(C)=CCC[C@@H]2C)C1	2039437203	RSDYSGQUVJRHGW-QEOTZNIISA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)[C@@H]2C=CCCC2)CC1	2039525770	UBOBYEPNQULCOA-PRLABOORSA-N	249.442	4.523	0	10	BJAE	
CC1([C@@](C)(N)C2=CCCCCCC2)CCCCC1	2039842851	DZYBUTNJRVEBJB-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC1([C@@](C)(N)CC[C@@H]2C[C@@H]2C2CC2)CCCCC1	2039849581	MKVUBFWQCYTGFW-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@@H](C)N[C@H]2CCCC3(CC3)C2)CC1	2040636297	PVEMDCPHDZTSHA-KNIAUWFNSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC[C@]1(C)CC=CCC1	2042074550	OIUDFEXKZZYHRU-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC(C2(CNC(C)C)CC=CC2)CC1	2042091792	ONSJVPBQOVCGFC-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(C[C@@]2(N)CCCC3(CC3)C2)C1	2043005318	UOFWLRAPXSAKNX-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@H](N[C@@H](C)c2ccoc2)CC1	2043068233	RPXNMUSLELJIRB-DZKIICNBSA-N	249.398	4.679	0	10	BJAE	
Cc1cc(OC[C@H]2CCC=CCCC2)ccc1F	2045314114	GZPWQXBLHNIJDR-AWEZNQCLSA-N	248.341	4.649	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)C[C@H]2CCC=CCCC2)C1	2045324581	XCGYUDZYFICCCM-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C23CCC(CC2)C3)C1	2045392455	UZWFSQOHPJNFEL-OBKBAYEDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@]2(N)CCCC23CCCC3)C1	2045393753	BNAZNNVBFXAJMV-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
OC1(C2=CCCCCC2)CC2(CCCCCC2)C1	2046229421	BCAGDQCPPIGPEY-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCNC[C@@H]1C[C@]12CCCCC21CCCCC1	2047561729	QMEJCBUCCRGRKS-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC1(C(=O)CC2[C@@H]3CCCCC[C@@H]23)CCCCC1	2048470142	JKNXYFJMSBWFRQ-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](NCC1(C)CC=CC1)[C@H]1CCCC(C)(C)C1	2049539786	JAXGWVFTBURFGL-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC=CCC1)CC1(C)CCCC1	2049790885	KCWQPWJLODBRLN-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC1(C)C)[C@@]1(C)C=CCCC1	2050002365	HJFIZBBXFBDYQV-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1[C@H](O)CC[C@H](C)CC(C)(C)C	2050431333	QNFPFCPNNSSWJI-XJKSGUPXSA-N	248.410	4.881	0	10	BJAE	
CCCN[C@@H]1[C@H](CC=C(C)C)C[C@H]2CCCC[C@H]21	2051401255	GZMDWAUQUVEPDC-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]1N(C)C1CC2(CCCCCC2)C1	2055268380	BVENMYGGSYRJCR-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2C[C@H](C)CC(C)(C)C2)CCC1	2055551767	IVQXGKMTSFMRDJ-VBNZEHGJSA-N	249.442	4.680	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@H]1CCC[C@@H]1C(C)C	2056448938	NWTIGDIXKMWLLD-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC1(CCC[C@H](N)C2(C)CCC3(CC3)CC2)CC1	2056556427	IELIMRXGAXJRGA-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C=C1CCCC1)C1(C)CCCCCCC1	2056873673	PMYWUPNLRSXYCA-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@H]1CCCC12CC2	2059170674	ABWTZWSMZIRVCB-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCC1(CNC2CC2)CCC(C)CC1	2059252034	DRYRCRDQANGVPJ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1cccc(F)c1C	2059254100	WYMWKGQYDANSEJ-NBUZRDOWSA-N	249.373	4.531	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC(C)C)CCC12CCC2	2059259657	REZHGZNBIRPPKN-BDUNBXCCSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(NC[C@H]2CC(C)=C[C@@H](C)C2)C1	2059489898	KFIJCYRWZNTECB-CRYBEJKASA-N	249.442	4.537	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C1=CCC(C)(C)CC1	2061110824	LSWHZGIPFFGLHH-CJNGLKHVSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@]2(N)CCCC(C)(C)CC2)CC1	2061112277	DTFMPIDARYSTTC-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
C[C@](N)(CC[C@]12CCC[C@@H]1C2)CC1CCCCC1	2061616484	JSNBJWDQAPURDY-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C1CC(=C2CCC2)C1	2061734825	RIDKPZUHWKWSKF-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CCC[C@@H]1C[C@@H]1C	2062620182	MFDGSCKPTRPSQS-VBQJREDUSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC=C(C)C)CC2(CCC2)C1	2063636736	MCVSVZYMVFJJHM-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(C(=O)CC23CCC(CC2)C3)CC1	2065278764	BDZFCSQSTILEMU-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)[C@H]1CCC1(C)C	2068238588	GFSSOSXVQVDNDV-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@@H]2CCC2(C)C)cc1	2068288548	CQAQJFAACFXKJL-RCBQFDQVSA-N	246.394	4.670	0	10	BJAE	
CC(C)Cc1ccccc1[C@@H](N)C[C@H](C)C(C)C	2068843416	RSASLRGIAPXOCL-YOEHRIQHSA-N	247.426	4.567	0	10	BJAE	
CC(C)C(Cc1cccc2c1CCCN2)C(C)C	2069002362	JNCVYQLTRMAKSB-UHFFFAOYSA-N	245.410	4.515	0	10	BJAE	
CCCC1(C[C@@H](NC)c2cc(C)oc2C)CCC1	2069344276	JKVBKXZWYNPGEO-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2071060633	YVGKKHIHTOMWNC-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@H](N)C2(C3CC3)CCCC2)CCC1	2071948437	FAMBSRCWPFWSOY-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@@H](NC)C2CC=CC2)CC1	2072792465	AGMPSOCDUZSDHG-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C[C@@H](N)C2(C)CC=CC2)CC1	2072794572	VUADNXDLBYDAII-UYSNPLJNSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(C[C@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2072797249	XSLUNTYXHWFGRU-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@H]2CCC(C)=C(C)[C@@H]2N)CC1	2072807396	VVGLECYPUBCWKI-BACDZXNISA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CCc3cc(N)ccc32)CC1	2072815569	NMPAOZKKXUROCP-IHRRRGAJSA-N	243.394	4.515	0	10	BJAE	
CCCC1CCC(Cn2ccnc2C(C)C)CC1	2072870740	GKMBDBTVDXNPQV-UHFFFAOYSA-N	248.414	4.613	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C2CCC3(CC2)CC3)C1	2074893506	UZTMHWPZUIGMKW-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC1CC(=C2CC2)C1	2074916396	KYXKEBVACMTKFT-AWEZNQCLSA-N	249.442	4.635	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCCC2)CCC[C@H](C)C1	2075366256	WKKVDSZVRGVWMV-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
C[C@H](Nc1ccccc1C1CCC1)c1ccco1	2077264199	MBLOFNXUSNOYNK-LBPRGKRZSA-N	241.334	4.720	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1ccccc1C1CCC1	2077264206	MGVRRMKUWDVFIY-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@H]1C[C@H]1C1CCC1	2079314687	FAXAJYBPJHPURW-KBMXLJTQSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@@H]2C[C@@H]2C2CCCCCC2)C1	2079661953	RYPRPCIMHSTCSS-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CCCNCC(=C[C@H]1C[C@@H]1C1CCCCC1)CC	2079662740	XALJYJRQTBORQW-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
Cc1cn(C[C@H]2C[C@H]2C2CCCCCC2)cc1C	2079815825	UWARADNWIBKJCC-SJORKVTESA-N	245.410	4.711	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC1(N)CCC2(CCC2)CC1	2079886917	RQWLKHABUAJWTC-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C1CCC1)CC1CCCCC1	2080240409	ITMSCWFMAGSOBR-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2C=CCC2)CCCC(C)(C)C1	2081682254	QQKSJKHIZRYPAH-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)c1ccc([C@@H](CC)NCCC)cc1	2084710986	ZJSNUAGQCFZADF-QGZVFWFLSA-N	245.410	4.951	0	10	BJAE	
CC(C)=CCC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213303025	IKWWFSUDGKKXIS-FICVDOATSA-N	234.383	4.518	0	10	BJAE	
CC(C)C(C)(C)CN(C)CCCCCC1CC1	2213530670	HOZYVTYYZAKNMY-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC1CC([C@@H](N)CCCCCCC2CC2)C1	2213576348	OXZWAEMCVNHZBD-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CCCCC1CC1	2214565667	OOIGEZLTYRPYIW-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NCC1([C@H](C)CC)CCC(C)CC1	2217125468	PTKXTRJSOUOZCP-LVDPKSTMSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218327781	MZBDQQHIMQCOBT-ORIJERBGSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218348933	DOMVXSYBIXLOLB-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C[C@@H]1CC[C@@H]1C	2220633888	OAFMSLRNWAZRLA-KBPBESRZSA-N	244.378	4.504	0	10	BJAE	
CC(C)c1cc(NC2CCCCCCC2)ccn1	2220886084	SYMGGBGNIFIHNN-UHFFFAOYSA-N	246.398	4.730	0	10	BJAE	
CC(C)c1cc(N[C@H](C)CC2CCCC2)ccn1	2220892199	FWSGLIPGKDQIOC-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
CC1(C[C@H](N)C2(C)CCCCC2)CC2(CCC2)C1	2221021857	AWSLTCXDBQWKSA-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](CNC(C)C)([C@H]2CC[C@@H](C)C2)CC1	2221661765	MMGYAMRRKNUKCK-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C1(C)CCCCCC1	2221997111	UAJBFVSQBUXNRI-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
CC1(C)CC(N)(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2222949347	ORMPOZWGBALGTN-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCC1(CC(=O)c2ccc(C3CCC3)cc2)CC1	2223685072	VRCAHONSZYAVHG-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)C[C@H](C)C(C)(C)C)cc1	2223968905	NOSSBPMHWULXNE-UONOGXRCSA-N	246.394	4.740	0	10	BJAE	
CCCCCC(=O)c1ccc(Cl)cc1CC	2243663786	MXCTVKFMOZLVKD-UHFFFAOYSA-N	238.758	4.665	0	10	BJAE	
CC[C@H](CC[C@@H](C)CCCC(C)C)[C@H](C)O	2244844870	HVMXPXPGYDBBGC-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC1(C)CC(C)C1	2246584082	IAZKSBMXTXXUGW-YHNBSYBMSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCC(=O)CC[C@H]1CCCCC12CC2	2246625043	VGMVSSKJQYOBPP-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCCC1CC(C(=O)CCCC[C@@H]2C[C@@H]2C)C1	2247174572	WORMWQGXHWAZAS-FGZQJIAISA-N	236.399	4.598	0	10	BJAE	
CCCc1cc2c(C)c(C)c(C)cc2nc1Cl	2249502734	XJNGRUMQWILZIT-UHFFFAOYSA-N	247.769	4.766	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(N)CC(C)(C)CCC1(C)C	2251666122	OSNAJFPVMXSCOB-CJNGLKHVSA-N	239.447	4.602	0	10	BJAE	
CC=CCCC[C@H]1[C@H](O)C(C)(C)CCC1(C)C	2251725263	UTADUPGCCKQAAR-KBPBESRZSA-N	238.415	4.556	0	10	BJAE	
CC1CC(C)(C[C@H](N)[C@]23CCCC[C@@H]2CCC3)C1	2253767113	RSHNUVUGTALGSV-QLOXVCQLSA-N	249.442	4.501	0	10	BJAE	
CCc1occc1C(=O)CC[C@@H]1CCC[C@@H](C)C1	2253939871	WHAUBTCGSUQPDO-OLZOCXBDSA-N	248.366	4.631	0	10	BJAE	
CC[C@@](N)(C1CCCCC1)C1CC2(CC(C)C2)C1	2254462124	RJVVQCDRTWGADT-VFMGQYKMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2254979803	RRRPPOFCBMOKBP-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C1CCC(C)(C)CC1	2255100301	NIJSKUCHTYHMEF-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC12CC2)CC1(C)CCC1	2255246449	OGJVKAFZQOQRIT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@]12CCCC[C@H]1CC2	2260485994	BGJHCTIEPKRDHX-GGACTWEQSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@]12CCC[C@@H]1CC2	2260544229	MGOPGTPLZKFYMZ-BFYDXBDKSA-N	246.394	4.662	0	10	BJAE	
CCNCC1(C[C@@]23CCCC[C@H]2CC3)CCCC1	2260678957	OHJSEOBEJQBKOO-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(C)c(CC)c1	2299662972	OIKKIESUBAKOFC-CYBMUJFWSA-N	232.367	4.566	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@H]1CC[C@H](C)CC1	2300477851	ZWDONJNWCBCDJV-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@@H]1C=CCCCC1	2300496014	FBWLEWUZFHZUPK-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@H](C)C1CCC1	2300689430	YCNYZCXFXJSCKD-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CC(C)=C[C@H](C)C1	2300690323	HQFFYYOKDDJMLD-RCBQFDQVSA-N	238.415	4.556	0	10	BJAE	
CCC(C)=CC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	2300866909	FKPLERKBTIQCMM-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H]1CCC[C@@H](C)CC1	2300895920	CFLBTLIUBSYTJM-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](O)CC1CCCCCC1	2301135242	IFEYGFGFVXIRGN-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](CCCC2=CCCCC2)C(=O)C1	2302302432	ZVEAZISCNHHXJA-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
CC(C)(C(=O)CCCC1=CCCCC1)C(F)F	2302346016	AGVGWIPBFMKSOI-UHFFFAOYSA-N	244.325	4.518	0	10	BJAE	
CCCC[C@@](N)(CC)CCCC1=CCCCC1	2302357962	AZQNHRHFEMRLRW-INIZCTEOSA-N	237.431	4.955	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)C[C@@H]1CCC(C)(C)C1	2302895400	IITBFSQNLWLPMG-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCC[C@H]2C[C@@H]21	2302991278	LKMJZHKBPDGBNW-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1CC[C@H]1C(C)(C)C	2303486502	DUUJOFYBMZRYNU-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CCCC2CC2)CC1	2303532530	QEDZFPVYRPILNM-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@H]1CCC(C)=C(C)C1	2303532779	RYLSTXRCVDKXFM-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CCCC[C@H]1CCC(C)(C)C1)NC	2304446666	ISXKZLLRSVXYAD-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CC[C@@H]1C(C)(C)C	2307896029	XWALFUXPHBHXBW-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309170756	BAJRRSPAJZNYBU-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CC[C@@]23CCC[C@@H]2C3)C1	2310375184	QWUYWRGUQGMCGS-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C[C@@H]1C[C@H]1C1CC1	2312333663	WFJUXSYFWUAWLB-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](N)[C@@]23CCCC[C@@H]2CC3)CC1	2313292842	XSKQGYJOWBNGQP-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC[C@@]12CCCC[C@@H]1CC2	2313311650	OODIJGSWZBQZNP-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@]1(C[C@@]23CCCC[C@@H]2CC3)CCCN1	2313345092	CUPFQCJPCLRJCL-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]([C@H](C)CC1CCC1)[C@]1(C)C=CCCC1	2313706208	ZXFCVDZASLUJSD-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCc1cc([C@H](O)[C@H](CC)CC(C)C)ccc1C	2314698533	ZWXZZYKJJIDWDX-NVXWUHKLSA-N	248.410	4.663	0	10	BJAE	
NC[C@H]1CCCCC[C@H]1CCCC1=CCCCC1	2318583151	MBZODESGNOAXIO-DLBZAZTESA-N	249.442	4.812	0	10	BJAE	
CC[C@@H]1CC[C@H](N(C)CCCC2=CCCCC2)C1	2318595114	MQGYINHLZHBNKC-WBVHZDCISA-N	249.442	4.778	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCCC[C@H]3C[C@H]32)CC1	2319234751	OPDGAPPJXDTUSA-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC[C@@H]2CC[C@H]2C2CC2)CC1	2319687021	SLJWIVRYHYVVNT-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1	2320268728	SNVIKRMLBUMVTP-XLNGHYISSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H](C(C)C)C2CCC2)CC1	2320412513	OJZHQBSRYOVVKB-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)N(CC)Cc1cccc(C2CCC2)c1	2320621731	XTURYRXHIYDIJD-AWEZNQCLSA-N	245.410	4.575	0	10	BJAE	
CC[C@@H](C)CC(=O)Cc1cccc(C2CCC2)c1	2320667462	OBZWYNUQBRJRFA-CYBMUJFWSA-N	244.378	4.502	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@]3(C)C=CCCC3)(C1)C2	2321649458	PBLOAWIHVOVCMH-KLAILNCOSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1cccc(NC2CCC=CCC2)c1F	2327801792	KIUDROJHYODUSG-UHFFFAOYSA-N	247.357	4.860	0	10	BJAE	
c1cc2c(c(NC3CCCCCC3)c1)CCCC2	20559815	HWPDKJUKASICRY-UHFFFAOYSA-N	243.394	4.700	0	10	BJAE	
CCCCc1ccc([C@@H](C)NC2CCCC2)cc1	22148995	UEOYSKPIROEKHL-CQSZACIVSA-N	245.410	4.622	0	10	BJAE	
CCCN[C@@H](CCC(C)C)c1ccc(C)c(C)c1	35572800	QLECJVPEXXNCSW-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](C)c1ccc(C(C)C)cc1C(C)C	35582324	SWJUGWVODFIPDY-CQSZACIVSA-N	247.426	4.994	0	10	BJAE	
Clc1ccccc1Nc1ccccc1Cl	39277732	RHEOYKTUFBCPOB-UHFFFAOYSA-N	238.117	4.737	0	10	BJAE	
CCN[C@@H](C)c1oc2ccc(C(C)C)cc2c1C	40996174	FMNOONGYZSYART-LBPRGKRZSA-N	245.366	4.535	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)[C@@H](C)[C@@H](C)CC2	49829114	BGROVPPRKQTWNV-UWVGGRQHSA-N	237.774	4.544	0	10	BJAE	
C[C@H](S[C@@H]1CCC[C@@H](C)C1)c1cccc(N)c1	54689736	AIZOLRUIBLYWSX-TYNCELHUSA-N	249.423	4.642	0	10	BJAE	
CC[C@@](C)(CCC(C)(C)C)CNC(C)(C)C	71128195	VUXDQEXYHNHDCF-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCC[C@@H]1CC	71163233	BINWUADENAJRTR-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
Clc1ccc(N[C@H]2CCC[C@H](C3CC3)C2)cc1	81623941	IHLGZGXPQZGBDB-WFASDCNBSA-N	249.785	4.721	0	10	BJAE	
CC(C)(C)CCNc1cccc2ccccc12	83355665	JEXBTSXFEWGQPG-UHFFFAOYSA-N	227.351	4.688	0	10	BJAE	
CCC1CCC(C2(O)CCC(C)(C)CC2)CC1	85078111	HAUGXRUGPXANSY-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](O)C1CCC(CCC)CC1	87961078	NLYSOSVBCOAZIX-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
CCCc1ccc(NC[C@H]2CCC[C@@H](C)C2)cc1	89604999	PMGQOQWGTGDLCL-ZBFHGGJFSA-N	245.410	4.877	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2cc(C)cc(F)c2)C1	93979104	KUKYMUNTHDKRNG-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
CCCCC1CCC(CNC)([C@@H](C)CC)CC1	94678076	WVWHPBJKTLEISL-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@H](NCCC)C1=CCCCCC1	104007841	FJSLNODGDURHPL-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)C1CCCCC1	115831149	UBEDZPQSFZSFRG-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)c1coc2ccccc12	122885596	UUTXTYKNTGGYTG-WFASDCNBSA-N	245.366	4.520	0	10	BJAE	
CCC[C@H](C)Cn1ccc2c(Cl)cccc21	129833325	JVEYTTCALHQSHV-NSHDSACASA-N	235.758	4.731	0	10	BJAE	
CCN[C@@H](C)CCC1CCC(C(C)(C)C)CC1	130316781	FIPRAXJOUDHYCF-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(Sc2ccc(F)cc2)cc1	138407053	GUKQPRAATDBSEZ-UHFFFAOYSA-N	232.323	4.539	0	10	BJAE	
Cc1cc(O)ccc1-c1cccc2ccsc12	156850554	NDAJGJVESSRYMC-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CC2=CCCCC2)cc1C	161217947	XCEAMFJDIUEAPO-KRWDZBQOSA-N	243.394	4.502	0	10	BJAE	
CCC[C@H](C)C[C@H](CNCC(C)C)C(C)(C)C	162419801	BQQZHAOEFZCUIV-LSDHHAIUSA-N	241.463	4.721	0	10	BJAE	
CCCc1cccc([C@H](N)C2CCCCCC2)c1	165877079	DAZWPKJESAEPQU-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCCCCC[C@H](O)c1cc(C)cc(Cl)c1	168244248	KXGVDYKOVDYSPQ-AWEZNQCLSA-N	240.774	4.652	0	10	BJAE	
CC(C)Nc1c(C(C)C)cccc1C(C)C	199886118	ISAOKGRRMGKWDH-UHFFFAOYSA-N	219.372	4.754	0	10	BJAE	
CC1(C)CCC([C@H](O)CC2CCCCC2)CC1	203529289	JXJGYYSZBXTOON-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)COC1=CCCCC1	207478471	ZHLDOASEHUQNEQ-CYBMUJFWSA-N	210.361	4.677	0	10	BJAE	
CC(C)c1ccc(CN2[C@H](C)CCC[C@H]2C)cc1	209623616	OTNBBTOYFCQPEF-HUUCEWRRSA-N	245.410	4.573	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H]1C[C@@H](C)CC(C)(C)C1	224814339	WXSADFVJHQLBOU-NFAWXSAZSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@]1(CO)C=CCC1	225338364	YFURLVUMDBVWHF-HZPDHXFCSA-N	238.415	4.558	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)c2ccc(C)c(C)c2)C1	227390765	OTJNZGCJFGTJHW-HLLBOEOZSA-N	245.410	4.520	0	10	BJAE	
CCN[C@H](c1cc2ccccc2s1)[C@@H](C)CC	228813184	JTSBNHHIKDBPJT-NHYWBVRUSA-N	247.407	4.598	0	10	BJAE	
C[C@@H](CC(=O)C1CCCCCC1)C(C)(C)C	229435597	ONZVYKNOOYRSTR-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)c1ccc2oc([C@@H](O)C(C)C)cc2c1	232359357	WMHJXMQUVBWJMI-ZBEGNZNMSA-N	246.350	4.636	0	10	BJAE	
CCCC[C@H](NCCC)C1(C)CCCCC1	232995243	BYVAGCVSCFOLGA-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](CC)Nc1cccc(Cl)c1Cl	233349144	PBBVMLHAJJJLFX-VIFPVBQESA-N	246.181	4.984	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2C[C@H]3CC[C@H]2C3)CC1	251313394	JDPTTYQPEXKPCN-LHJGCZIBSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCCCC[C@@H]1C	252032107	ZLPIDDYAIAUQCO-VGWMRTNUSA-N	239.447	4.760	0	10	BJAE	
Clc1cccc2c1ccc1ccsc12	253491839	NYTZZIZIEGYZQM-UHFFFAOYSA-N	218.708	4.708	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCCC(C)(C)C	300966588	ZERSUKARGKHOKA-AWEZNQCLSA-N	227.436	4.747	0	10	BJAE	
CCc1ccc(NC2CCC(CC)CC2)cc1C	302317005	PCWPUNPCORILNK-UHFFFAOYSA-N	245.410	4.938	0	10	BJAE	
CC(=O)c1ccc(C2=CCCCCC2)cc1Cl	304519794	GXVPRCDOFXEUMP-UHFFFAOYSA-N	248.753	4.890	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)CCCC(C)(C)C	305907118	GCISPRBHIOIXFZ-AWEZNQCLSA-N	234.383	4.553	0	10	BJAE	
CSc1cccc2sc(Cl)c(C)c12	306768274	DNMJAACLEUQMQI-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](CCC)CC(C)C	308044372	FJPUGJMWIJMPDB-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](O)(CC2(C)CCCC2)C1	310237212	IKNNQYOGMLBKIV-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(C[C@](C)(O)CCC(C)(C)C)CC1	310414191	MUNJQOCKJVZXBT-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CC(C)Cc1cccc([C@@H](O)CCC(C)(C)C)c1	310577569	HFSXFTFXMBWJTM-INIZCTEOSA-N	248.410	4.745	0	10	BJAE	
CCN[C@H](C)c1ccc(C2=CCCCCC2)cc1	310647050	WRNSHDZCASWVMF-CQSZACIVSA-N	243.394	4.705	0	10	BJAE	
CCc1ccc(C(=O)C[C@H]2CCC[C@H](C)C2)cc1	310980092	JOUNJTZWSJANQN-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CCCCC2)C1CCCC1	313001899	BXDBXUFDAJBGKB-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)C)CC[C@H](CC)C1	317091763	AJOVGBUQYDTTBZ-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(CNC2CC2)(C2CCC2)CC1	317704908	HQVFEHNGIUCBII-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(CCCC(C)(C)C)C1	382665920	DAZGXFWSGOVMBJ-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(N)CCCCCCC2)C1	383956465	WZILXKSJSVNOIS-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@@H](c1ccccc1)C1CC1	384985306	USUCGWZVAHOTCV-CJNGLKHVSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCCC23CCCC3)C1	385586408	GZUGAZINMVZGGV-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCC[C@H](N)c1cccc2ccsc12	386309250	LQYMYONRDNMFDO-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CCOc1cc2ccc(CC)c(Cl)c2s1	396188273	KAGPJRDIPBHRGD-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1csc2c(C(F)F)c(C)ccc12	396234247	DGVITOPROYBPKB-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCNCC1(C[C@H]2CC=CCC2)CCCCCC1	402132856	HYTDTLCQHXMSJY-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C(=O)CCCC1CCC1)c1ccccc1	688799811	OQWJRMQHMLIIKY-INIZCTEOSA-N	244.378	4.720	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1Nc1ccc(F)cc1	691099919	LBGQUTPTRYROBY-HZPDHXFCSA-N	249.373	4.843	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)C1(C)CCCCC1	692039013	UHMIXMNKUXCKJT-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(C(C)C)cc1OC(C)(C)C	694950485	KQAIFRMHKCHGGM-UHFFFAOYSA-N	220.356	4.550	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC1CCCCCCC1	695149849	CRNOKZPGADYWPW-CYBMUJFWSA-N	225.420	4.514	0	10	BJAE	
CCCc1cccc([C@H](CC(C)(C)CC)NC)c1	696156114	DDFNLJCWVOAKEN-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1cc(C)c(C)s1	696647206	SUDKDYJDCXUDHD-LBPRGKRZSA-N	239.428	4.581	0	10	BJAE	
CCCNC[C@@H](CCC)CCC(C)(C)CC	696805379	IHOZFDVFCBLDCC-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CCC(C)(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	701308579	KQAWXHFKVNAHPS-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(C=O)cc1-c1cccc(C(C)C)c1	701492118	DPVONMIFRKUONN-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@@H]2CCCC[C@H]2C)CC1	704796203	GEOQJKWCWXKLNI-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)CC1CCC1	704944326	ZCYBTCUJAZFCLY-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1CCCC12CC2	706297778	BDDWNIJGGFZWMS-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc([C@H](CO)C[C@@H](C)CC(C)(C)C)cc1	709102012	LJUMWBOLJCYVNU-ZBFHGGJFSA-N	248.410	4.533	0	10	BJAE	
CCC[C@](O)(C[C@H](C)CC(C)(C)C)C1CCC1	709129802	IADNLAVUTZIPMP-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](CC)(CNC)C[C@@H](C)C(C)(C)C	711181225	DUYKHDWKEKHBOA-GDBMZVCRSA-N	241.463	4.865	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(N)CCCC(C)(C)CC1	713153731	ZOYMRZWWGFBZMU-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CCCC(C)(C)C(C)C)c1ccccc1	713172107	CHNNVNJJMSAVFQ-MRXNPFEDSA-N	247.426	4.800	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)C[C@@H](C)CC(C)(C)C	713218545	WMJJGIUMOCUWDU-KGLIPLIRSA-N	241.463	4.848	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCC[C@@H]2CCCC[C@H]21	714288920	FMVKLDUEZVPCTH-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1CCC[C@@H]2CCCC[C@H]21	714302526	FJDXBOVFSUPADP-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCC1CCCC1	720942377	YQRRKFXEKNIWAR-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)CC1(c2ccccc2)CC1	721758199	KMRKCJCZBSKODQ-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
C[C@H]1CCC[C@H](C)C1Nc1ccc(C2CC2)cc1	821906406	QLCNZTFBEVCSJP-STQMWFEESA-N	243.394	4.801	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CCCC23CCC3)c1	1143375542	SRCGZHZHLOOWFO-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
CC(C)N(CC[C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)C	1168422705	AJTMBKXSRFTTSY-ZSHCYNCHSA-N	239.447	4.568	0	10	BJAE	
CC(C)c1ccccc1CSC1CCCC1	1307252371	FAUJSWZWBOGJMV-UHFFFAOYSA-N	234.408	4.986	0	10	BJAE	
C=C/C=C\CCSC(CCC)CCC	1307292883	KLMMDQUVQNZNOB-FPLPWBNLSA-N	212.402	4.821	0	10	BJAE	
CC(C)CCN(C[C@@H]1CC=CCC1)C1CCCC1	1461889892	WNABDMXQRTXOGZ-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
CCC(CC)CCCC[C@@H](NC)C(C)(C)C	1900692586	FPMYELQBGFGWEE-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CCOc1cc(C)cc(C)c1	1900695026	AYSUUABZOUTDEM-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
CCC(CC)CCC[C@@H](N)C1CCCCC1	1900713743	RKLTVXVSNZSFLP-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)c1cccc(CCC2CC=CC2)c1	1902962465	UTDILNMZFUMSMP-UHFFFAOYSA-N	214.352	4.709	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CCC)CNC(C)C	1905367891	CBGNCQDZMKZKMX-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](CC)(CN)CC[C@@]12CCC[C@@H]1C2	1908444585	CXSGEQKRJHDRRO-OWCLPIDISA-N	237.431	4.502	0	10	BJAE	
CC(C)c1ccc(NCCC[C@@H]2C[C@H]2C)cc1	1908547492	SPJHTFDRXALBFC-UKRRQHHQSA-N	231.383	4.658	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H]1C[C@H]1CCC	1910651040	DUXUKMBZBLOITG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(NCC(Cl)=CCl)c1	1911548854	HFMYAHZPVXHUDX-UHFFFAOYSA-N	244.165	4.541	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C1CC2(CCCC2)C1	1912602874	AIISAJHDTNYWDC-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CCCCC[C@@H]1CCCCCCCC[C@@H]1O	1913398454	PTWXPJSGNNIDSA-CABCVRRESA-N	226.404	4.678	0	10	BJAE	
CCCCCC1(CNCCC)CC(CCC)C1	1921291960	JVQYXCQMBHYWSV-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCC23CCC3)CC1	1921500930	YRZDTPNVWLTPME-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)[C@H]1CCC[C@@H](C3)C1	1923458835	HABUZRNGABQUGT-OLZOCXBDSA-N	239.362	4.615	0	10	BJAE	
Fc1ccc(CC[C@@H]2C=CCCCC2)cc1F	1925824738	OQCXGZJTFVJYHN-GFCCVEGCSA-N	236.305	4.644	0	10	BJAE	
CC(=CCl)CNC1CCCCCCCCC1	1938720708	MFEUEFKRQZAOID-UHFFFAOYSA-N	243.822	4.612	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)[C@@H](C)CC(C)C	1939034249	SDMNCJLEEFIGAE-ZNMIVQPWSA-N	227.436	4.616	0	10	BJAE	
CC(C)CCC(=O)[C@@H]1CCCC(C)(C)CC1	1939897741	CJCTUIQWTGHIHQ-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)C(=O)CCCC[C@@H]1CCCC1(F)F	1940730886	DGXFYRMKOYNTSA-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC([C@@H](O)CCCC2(C)CC2)CC1	1940869953	PITIATKMMBIIQH-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c(OCCC[C@@H]2CC2(C)C)c1	1940875915	ZCLXRJYUUPUWES-CQSZACIVSA-N	232.367	4.509	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CCC[C@H](C(C)C)C1	1942658962	IETLNZSIWSESEE-HRCADAONSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCC[C@H]1CCC[C@H]1C)C(C)(C)C	1944843011	OSHVYFZTQVJIQS-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)(C)C)CC(C)(C)F	1947084025	MZYMZMZFNYVROA-CHWSQXEVSA-N	245.426	4.565	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)N[C@@H]1CCCCC1(C)C	1948324575	AZXYBVNNVVKMQO-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CCC[C@@H](C[C@@H](N)C2CCCCCC2)C1	1948921588	YPHKZIRLRIEXJB-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)C2(C)CCCCCC2)C1	1949517836	KLJXGGWYUYRURN-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCC[C@H](C)CC2)C1	1965989671	YYOJUNZJCPIOQJ-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CCN(C)CC1(CC(C)C)CC1	1966528669	UCLCASNQUMLUFW-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(O)CCCCCCCC1	1980350712	IRAUXJDRLHHICV-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1C[C@@H](CC2CC(=C3CC3)C2)CC[C@H]1C	1985534509	KEMKFFFKPMHOTA-AGIUHOORSA-N	218.384	4.949	0	10	BJAE	
CCCCC(C)(C)N[C@H]1CCCC(C)(C)C1	1987101234	FQXTXEOIXNFWSU-ZDUSSCGKSA-N	225.420	4.514	0	10	BJAE	
CCCCCCN(C)[C@H](C)c1ccc(C)s1	1990805035	BZMCKUDAPNZRKU-CYBMUJFWSA-N	239.428	4.630	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1C=CCCCC1	1990969492	SULDEPXKZZQTTK-CYBMUJFWSA-N	235.758	4.559	0	10	BJAE	
Cc1cc(C[C@@H]2C=CCCCC2)ccc1Cl	1993193936	QAPJTNUJFOSICX-CYBMUJFWSA-N	234.770	4.937	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CC1CCC(C)(C)CC1	1996609809	APOFQQWLRISVGY-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CCCCCC1CC1)CCC1CCC1	1998048119	SYKYWFKPHGLGLZ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@@H]1CCCC(C)(C)C1	2000142888	IQTMTJXNEMMZCR-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H]1CCCC(C)(C)C1)C(C)(C)C	2000143620	PHXSZUDFLZAUMT-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CCC[C@@H](C)C1	2000210863	DYDWWXDJZWREEF-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC(C)C[C@H](O)[C@@H]1CCCCC12CCCCC2	2001561487	NHCQUTOMVMWZRQ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@@H]1CCC12CCC2	2001843148	DATNKNZETOAGOD-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2sccc2C2CC2)CC1	2003065716	QZXYLKZLXSMJOY-UMSPYCQHSA-N	248.391	4.635	0	10	BJAE	
CN[C@@H](CCCCCCC(C)C)c1ccco1	2003688748	UAGYVTSMYPFMKP-AWEZNQCLSA-N	237.387	4.537	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC(C)=C1C)c1cccs1	2006911781	DBYGQHZGDDSVOX-ZIAGYGMSSA-N	249.423	4.678	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@H](CC)C(C)C	2007939008	CVSBOAIHQOATET-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@](C)(O)[C@@H]1CCCC(C)(C)C1	2009595024	UYSUDWYSFUNNDE-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@H](NCC)C1CC(CCC)C1	2009617782	WJGFGKCUEDJYQT-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](C[C@H](CC)C(C)(C)C)NC	2009635129	LJSTYGDENKSKAX-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C)CC1)C(C)(CC)CC	2010624771	LTNKZJWUVBPVDK-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC=C([C@@H](O)C[C@H](C)CC(C)(C)C)CC1	2010627147	ZWINZOVUVFCWJE-IPYPFGDCSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)CCCC1(O)CC2(CC(C)(C)C2)C1	2010733253	KANZGKJAEILSFN-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C=C=CCC[C@@H](NCCC)c1cc(C)c(C)s1	2010976952	OOKVNUSMRIMSLJ-CQSZACIVSA-N	249.423	4.527	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNc1cccc2ccsc12	2011578352	XYXKCDCGUXCYLA-AAEUAGOBSA-N	245.391	4.749	0	10	BJAE	
O=C(CC[C@H]1C[C@@H]2CCC[C@@H]2C1)c1cccs1	2011947800	PSCHMZIGTJVGBA-XYYAHUGASA-N	248.391	4.537	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(F)c(C)c1	2013263236	GFUKILHRQHODPX-CYBMUJFWSA-N	237.362	4.761	0	10	BJAE	
CC(C)C(CC[C@@]1(O)CCC(C)(C)C1)C(C)C	2015337150	WNTJWZBKWWEWBK-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@H](N)CCC(C)(C)C)C(C)C	2015356213	FPBOTOGUKJIDDX-AWEZNQCLSA-N	241.463	4.848	0	10	BJAE	
CC(C)C(C[C@H]1CC[C@@H](C)CCC1=O)C(C)C	2015389341	USWRFCCSKYUDEI-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CCCC1([C@@H](N)[C@H]2CCCC[C@H]2CC)CCC1	2015593646	DYBOWOYGXUAFPF-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@H](O)C1(C)CCCCCCC1	2016307867	NTZXAACFJGAWEK-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@@]1(C)C[C@H]1C	2016464480	CJJUKFMKNRHCNT-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(C[C@H]2CC[C@@H](C)CCC2=O)CCC1	2017130001	WRGOUWCZOGNEBN-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](O)CC2CCCCC2)CC1	2017650728	KNEQCQOIBPHNDW-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](N[C@]2(C)CCC(C)(C)C2)C1	2017911683	GMKSDEIHWJDFLW-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@@H](C)C(C)(C)C	2018993049	YZDKPULHBHQNND-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CN(C)[C@H](C)C1CCC(C)CC1	2019284992	GGFOFQNYRPMGBX-LVDPKSTMSA-N	239.447	4.569	0	10	BJAE	
CC=C(CC)[C@@](C)(N)C1CCC(CCC)CC1	2020922402	WLXKZBNWOHOZNN-AVVWSFFYSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](C)Nc1ccccc1C1CCC1	2021027126	QLXJJPGJEZYPGZ-CYBMUJFWSA-N	231.383	4.945	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@H]1C[C@@H]1C(C)(C)C	2022447117	CHQJAIXTWILURW-WWGRRREGSA-N	240.431	4.636	0	10	BJAE	
CC(C)=CC[C@@H](O)c1sc2ccccc2c1C	2023317963	BJXABAFBJMALMT-CYBMUJFWSA-N	246.375	4.599	0	10	BJAE	
CCN[C@@H]1[C@H](C)CCC[C@@H]1CCCC(C)(C)C	2023990374	BRMZSJFRWGMVDS-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](CC2(N)CCCCCC2)C1	2024097451	XVOCHTDXLVHCMN-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)C[C@@H]1C[C@@H](C)CC	2024121913	GATRPHVRRRARRU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)c1ccc([C@@H](C)NCCC)cc1	2025224736	RDQRSVBMNODHRF-CYBMUJFWSA-N	231.383	4.561	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@@]1(C)C[C@H]1C)NC	2026170630	RCMKSRDADMHGPB-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@](C)(CNC2CC2)C2CC2)CCCCC1	2027306894	PXPJMZKQPHGCKC-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C1CCC2(CC1)CC2	2027842800	LOEDLNFVYAUZKS-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)c1ccccc1C1CC1	2028602266	HHFNWDRPDYPZLG-PBHICJAKSA-N	245.410	4.636	0	10	BJAE	
NCC1(CC2[C@@H]3CCCC[C@@H]23)CCCCCCC1	2032839375	HMGOUBWNPAZVCT-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CC(C)(CNCCC1CC=CC1)C1CCCCC1	2034028196	PHKDBGMGBGFEFH-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CCCC[C@@H]1C	2035575962	LQLLXBQPNONOBH-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC([C@H](N)C[C@@H]2C=CCCC2)CC1	2035604031	YDNVVFDGOYJGEV-MNAZLIDISA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)C2CC3(CC3)C2)CC1	2036180682	UPYGUCGZIBLRMI-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CN(C[C@H]1C=CCCCC1)[C@@H]1CCCC(C)(C)C1	2036780083	MXUQKRAIXMDEGG-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C[C@H]1CCC[C@H](C)C1	2037048842	UCOZMKKXKIZDKM-RCBQFDQVSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@H](C1CCC1)[C@H]1CCC2(CCCC2)C1	2037579554	JOEXHCUEIDXVGD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CC1(N)CC2(CCC(C)(C)CC2)C1	2038895111	LUISRTAYMGWBAJ-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)C1CC2(C1)CC1(CCC1)C2	2039421911	PBXCRPZHKOXFKW-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1C[C@H](C2(C)CCCCC2)C12CCCC2	2039844890	XWRWCQDNROVXKJ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@@H](C)NC[C@@]2(C)C=CCCC2)CC1	2040632375	DNEMYGPHBYSJLL-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(CC1CCC=CCC1)C1CCCCC1	2040651257	QFFJCMJEDUEEFL-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
C=CC=CCC[C@@]1(N)CCCC2(CCCCC2)C1	2040764522	DHRVETXECMXWHB-QGZVFWFLSA-N	247.426	4.731	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@]2(N)CCCC3(CCC3)C2)C1	2041289687	KMFXLUBHGVGXNP-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@@H]1CC12CCCC2	2041836161	CTXMHOAPVJCQPO-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@@]2(C)CC=CCC2)c1	2042023379	AUKVCXFOWSHLIG-IRXDYDNUSA-N	243.394	4.556	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@]1(C)CC=CCC1	2042098281	GHCZYEFBUWOGAC-QGZVFWFLSA-N	242.362	4.739	0	10	BJAE	
CCN[C@H](CC1CC=CC1)C1(C)CCCCCC1	2045797335	QCCOJACGONPENF-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
NC1(C2CCCCCC2)CC2(CCCCCC2)C1	2046233806	SUQXNWCQAAPHCU-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
C=CC=CCCN(C)C1CC2(CCCCCC2)C1	2046324605	KZUMSBTXSMKOTQ-UHFFFAOYSA-N	247.426	4.554	0	10	BJAE	
CCCC1([C@H](C[C@H]2CC23CCCC3)NC)CCC1	2047007847	KUJCBERSENQWSW-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC/C=C/CNC[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047433975	GMLFDMHTXQRQEK-IAAGLLRASA-N	249.442	4.539	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C[C@H]1CCC12CCC2	2047936910	UEUXUFLFELAKRJ-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC12CCC2)C1CCCCC1	2047939057	KQNCODGKAJCODO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](c1ccc(C)o1)C1(CCC)CCC1	2048266622	SRVYNDRSMYBAEF-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048442638	GJOJAKRQHCEUEZ-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCCC1CCC2(CCCN2)CC1	2048951579	BFWPUIZRVHTNNV-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)C[C@H]2CCC3(CC3)C2)CCCCCC1	2049951132	MFFBJAHJOLDKAY-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CNC[C@]1(CCC2CCCCC2)CCCC12CC2	2053355507	JDIAAYKNITVDKG-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
F[C@H]1CCCC[C@@H]1Nc1cccc2ccccc12	2055158827	IGVGERHDWWEYMJ-HOCLYGCPSA-N	243.325	4.532	0	10	BJAE	
Cc1ccc([C@H](N)C2(C)CCC(C)CC2)c(C)c1	2056562199	IOCSWZBOUIFGFN-PDOTXMHQSA-N	245.410	4.520	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H]1CCC[C@H](C)C1	2056875121	CWPKLJLNZJKECH-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)C1CCCCCCC1	2056879930	XQWNPQPFXUVICW-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
NC1(C=C2CCCC2)CCC2(CCCCC2)CC1	2056920090	OBKOPZUQCWBHRU-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
CCc1cc(Cl)cc(C(F)(F)F)c1Cl	2060075982	XWHPXIOVFVQEDF-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
Cc1cccc([C@H](N)CC2=CCC(C)(C)CC2)c1	2061143522	KYUKSOPPDFTSLJ-MRXNPFEDSA-N	243.394	4.521	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C1CC(=C2CCC2)C1	2061729770	ACAOGUQAWGHNIL-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CCC2)C1)[C@@H](C)C(C)C	2061736779	KIKSJIWXXAIYEU-GUYCJALGSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](NCCC[C@H]1C[C@H]1C)c1ccccc1	2062604741	WWZXBGVSZHRJKN-PVAVHDDUSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C1CC2(C1)CC(C)(C)C2	2063807054	BYSSCHBZJOMTNJ-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC1(CC23CCC(CC2)C3)CCCC1	2065334751	HVWQGOIMAQPDSW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CC(N)(C2CCCC2)C2CCCC2)C1	2065936873	XFAIRIRKQPDFIK-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1CCC12CCCCC2	2070407566	HOAXHTISTKRZEN-HZPDHXFCSA-N	249.442	4.824	0	10	BJAE	
CC1=C(C)[C@@](N)(CC2(C(C)(C)C)CCC2)CCC1	2071925922	JYBNQIJLHAQMSC-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](C[C@H]2C=CCC2)NC)CC1	2072682417	VCZASGFKBVEOPI-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1NC[C@H]1CC[C@H](C)CC1	2072802162	VLDFXLZCBPEBLY-SHTZXODSSA-N	245.410	4.877	0	10	BJAE	
CCCCC[C@@](N)(CC)Cc1c(C)cccc1C	2073339271	FGODQURTMRNXQH-KRWDZBQOSA-N	247.426	4.534	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@]23CCCC[C@H]2C3)C1	2074030387	SUZKMPKYSDTAKO-USXIJHARSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](C1CC(C)(C)C1)N(C)[C@@H]1C=CCCCCC1	2074811037	SVRGKIBRCZMGDK-GOEBONIOSA-N	249.442	4.632	0	10	BJAE	
CCN(C[C@H]1CCC2(CC2)C1)C1CCCCCC1	2076553962	DZPAJSGQALPRGS-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCCc1ccc(-c2cc(F)ccc2O)cc1	2077926946	HCWGREDFVGOPOS-UHFFFAOYSA-N	244.309	4.541	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNC1CC2(CCCCCC2)C1	2079446007	HJIHGVQRARUPRV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@@H]1C[C@H]1C1CCCCCC1	2079486919	PJGYYHVKEKRDOU-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)C(=O)CCCCCCCC1CC1	2212446439	ODLHRVWTMPLQJL-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H](C)CC(C)C	2212627147	GONZIDVBKYKCTO-NSHDSACASA-N	239.790	4.749	0	10	BJAE	
CC[C@@H]1CC[C@@H](CCCCCCC2CC2)CN1	2213576166	NJPCPIXZLGLSCO-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CNCC(=CCCCCCC1CC1)C(C)(C)C	2213579223	RCOHBVLRVVIZIW-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
C(=Cc1ccccc1)CC[C@H]1C[C@H]2CC[C@H]1C2	2213825219	QNNQZLRTKXNSEA-IKGGRYGDSA-N	226.363	4.916	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CC[C@H]2C[C@H]2C)CC1	2215302224	QKGYSQUASCRCMY-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](O)(CC)CC1(C)CC2(CCC2)C1	2215465780	KWAMIIPWVFBVMW-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)[C@H](C)CCC(C)C)CC1	2215819518	WKUQBFCDHBUXLJ-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)c2sc(C)cc2C)CC1	2215819764	YPKDTHAIZRRYNQ-CABCVRRESA-N	249.423	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1[C@H](N)CCCCCCCC1CC1	2216878547	DHHKLTDCGOSPPM-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1(CNC2CCC2)CC(C)(C)C1	2217131862	ULJRGNJAYGUCPD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CN[C@@H](C)CC)[C@H]1CCC(C)(C)C1	2217142404	PZUZVUSDZIADDY-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218347711	BLTUEOUHQBNCPP-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@H]1C=CCCC1	2220048219	ZLEUBXRISOWQJY-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
N[C@H](CC[C@H]1C[C@H]1C1CCCC1)C1CCCCC1	2220289329	WCIHIOHBTWRFBO-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@H]1CC[C@H]1C	2220520927	LSLNDPYEPSXYLC-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC1(N)CC2(CCCCCC2)C1	2220877460	KIHDYXDVJPCLFM-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@H]2CCCCCCC2=O)CC2(CCC2)C1	2221085737	IYDASMLJFWBINO-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CC1=CC[C@](C)(CN(C)C2CCCCCC2)CC1	2221602730	SDYQONPTUMYPIB-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1	2221660180	IXABMTVSMZUHIL-YYIAUSFCSA-N	249.442	4.536	0	10	BJAE	
C(CCCCCCC1CC1)=C1CNC12CCCC2	2223131597	AEXSTWLQQUCACF-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCCC1(C(=O)c2ccc3occc3c2)CCC1	2224176317	MWSJYHDRGAXHOD-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CC1(c2ccccc2CC=Cc2ccccc2)CC1	2226205185	BUFRJEHFYIRWEC-UHFFFAOYSA-N	248.369	4.994	0	10	BJAE	
Cc1ccc(NCC2=CCCCC2)c(Cl)c1	2243228887	FRJQFZSCARMUEP-UHFFFAOYSA-N	235.758	4.561	0	10	BJAE	
Cc1cscc1C(=O)CC[C@@H]1CCCC12CC2	2247638298	WKYXPOPBVJWZQZ-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CCCCC[C@@H]1C[C@@H]1C	2248842389	RINGLTQKMCUWTI-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)c1ccc(C2CCC2)s1	2250276808	ATAZLURUPKDCOC-HNNXBMFYSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@H](C)C1CCCCC1	2250378757	PZDMETSLLYLUHC-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)CC(C)(C)F	2250467434	QUORXVHLNHXGIH-AWEZNQCLSA-N	245.426	4.519	0	10	BJAE	
CCCCC[C@H](C[C@@]12CCC[C@H]1CC2)NCC	2251176662	SXPSQWHDKNATDS-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](N)(CC)C[C@]12CCCC[C@H]1CC2	2251193163	DMEGENIIEJHULO-ARFHVFGLSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CC(C)(C)CCC1(C)C	2251673539	IVXCVSBZBMASNU-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C=C1CN[C@H]2CCCC[C@@H]2C1)CC	2253795899	UWAMCNGXEVZAMM-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](N)(CC[C@H]2CCCCC23CC3)CC1	2253815906	FQSYYGKTVGFDEA-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)N1CC[C@H]1CCCCC12CC2	2253856609	QNQASSAHSAUHHU-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
N[C@H](CC1CCCCC1)CC1CC2(CCCC2)C1	2254111960	ISKTXZJDKNBKCL-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
Cc1ccccc1[C@H](N)CCCCC[C@H]1C[C@@H]1C	2254529365	HFEXXXRHEMHZRX-YQQAZPJKSA-N	245.410	4.601	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCCC[C@@H]1C[C@H]1C	2254604123	GUSBZIOQPBHMPS-MZBWOGCUSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@@H]1CC1(N)CC2(CCCCCC2)C1	2255028148	YAXAAFWMPKKSIG-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CC1=CCCCC1	2255139517	CTUBBGLBDVYSPU-YOEHRIQHSA-N	247.426	4.731	0	10	BJAE	
CCCCC1CC(Nc2cc(C)c(C)c(C)c2)C1	2258233154	KIGWICBBYRDGGR-UHFFFAOYSA-N	245.410	4.993	0	10	BJAE	
Cc1cc(NC2C[C@@H](C)C[C@H](C)C2)cc(C)c1C	2258234837	WQJNQHJCEBCPIR-RYUDHWBXSA-N	245.410	4.848	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@]12CCC[C@@H]1CC2	2260508639	QIQAAAFMGSQFOM-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(C(=O)[C@]23CCCC[C@H]2CC3)C1	2260515862	JMZLEWNMVLGDOT-VSUJBEPISA-N	248.410	4.598	0	10	BJAE	
NCC[C@@H]1CCC[C@H](C[C@@]23CCCC[C@H]2CC3)C1	2260658318	OIUJSNJXYCABGF-QAETUUGQSA-N	249.442	4.502	0	10	BJAE	
CCCC1([C@H](C[C@@]23CCCC[C@@H]2CC3)NC)CC1	2260680692	YVDCRFKEFPHXOG-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(CCC(CC)CC)CC1(C)C	2300704215	OWJYZONRDNYPJO-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CCC[C@H](C)C1	2300873575	ASEYHLPPLCPHKQ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(=CCC(=O)[C@@H]1[C@@H](C)[C@H]1C)CCCC(C)C	2300878082	XOOVFYLJWGLDBS-FOLVSLTJSA-N	236.399	4.620	0	10	BJAE	
CCC(C)=CC[C@H]1CCCCCCCC[C@@H]1N	2300900173	VNXPYJACAJENFE-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
C[C@@]1(C(=O)CC2CCCCCC2)CC=CCC1	2301149117	BVIMZOFUSAXIJE-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCC[C@@H]2C[C@@H]21	2302991277	LKMJZHKBPDGBNW-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC)CCC[C@H]1CCC(C)=C(C)C1	2303576014	RGDXAQAYDWOBQJ-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC1(C)CC(N)(CC[C@H]2CCC(C)(C)C2)C1	2304430821	DSBQJALKSNQGRI-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CN)CCC=CCCC1	2307834066	GXNVHWRRYYYCKX-HZPDHXFCSA-N	237.431	4.668	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)C1CCCC1	2307895329	VNAJHVFJOASUOY-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCCCC[C@H]1N[C@@H]1C[C@H]1C1CCCCC1	2311537810	LWKIMLCOZCBCFC-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC[C@H](O)CCc1ccc(C)cc1	2316249317	YTXQMWMUPYTHHM-KRWDZBQOSA-N	248.410	4.505	0	10	BJAE	
CCC[C@H]1C[C@H]1Cn1c(C)cc2cc(F)ccc21	2317530718	WHEFVXADDMTWFT-JSGCOSHPSA-N	245.341	4.525	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1ccc2ccccc2c1	2317663311	GOBAZLSSSSRFFT-UONOGXRCSA-N	241.378	4.932	0	10	BJAE	
CC=C(CC)[C@H](CCC1=CCCCC1)NCCC	2317907211	OKONPXPXYACBKR-KRWDZBQOSA-N	249.442	4.992	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1C[C@@H]2CC[C@@H]2C1	2317930911	ZXLCVHOSWYFNKT-DABQJJPHSA-N	247.357	4.550	0	10	BJAE	
CC[C@H](C)c1ccc2occ(C(C)(C)OC)c2c1	2318307922	JLHPBIMSPHNWIR-NSHDSACASA-N	246.350	4.828	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC1(C)CC2(CCC2)C1	2318928631	OPKALHZSFVJKCD-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)CC1CC2(CCCC2)C1	2318939011	PCUBXJXMXLPQOC-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@](C)(N)[C@]23CCCC[C@@H]2C3)C1	2319027077	POPQDVFJHLAVRA-FSDCSDTHSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCCC[C@H]3C[C@@H]32)CC1	2319329008	LEXVADBQDMEEHL-VPABYTGTSA-N	249.442	4.514	0	10	BJAE	
CC(=C[C@@H]1CC[C@H]1C(C)(C)C)[C@H]1CC[C@@H](N)CC1	2320243665	MRSWEAMWFGNSRA-CAOSSQGBSA-N	249.442	4.523	0	10	BJAE	
CCN(C[C@@H]1CC[C@H]1C(C)(C)C)c1ccccc1	2320297701	FIWSYXQOEWUWJE-GOEBONIOSA-N	245.410	4.585	0	10	BJAE	
CC1=C(C)C[C@H](NCC[C@@H]2CCC[C@H](C)C2)CC1	2320369737	WUCJPRWHIQJRCQ-RRQGHBQHSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@@H](C)CC2CCC2)CC1	2320401751	LSTJULMZNARFFB-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](C)c2ccccc2)c1	2321076379	DSAZAQYIJJRYJK-LBPRGKRZSA-N	243.325	4.561	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1cc(C)ccc1C(C)C	2327789545	KROZBHSTLGZXSC-HIFRSBDPSA-N	244.378	4.737	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(F)c(F)c1	20520050	VWLSFROKWWSCKB-NSHDSACASA-N	241.325	4.736	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CCC[C@H](C)C1	22149815	ZQJBVXMXGKIRSL-GWCFXTLKSA-N	237.774	4.639	0	10	BJAE	
CCc1ccc([C@H](C)Nc2ccc(F)cc2)s1	41202498	OCAOZEBSBSDKHS-JTQLQIEISA-N	249.354	4.623	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)c1cc2ccccc2o1	50400867	YPJGFZYLUMTXGY-GXTWGEPZSA-N	245.366	4.662	0	10	BJAE	
CCC(=O)c1ccc(-c2ccc(C(C)C)cc2)o1	54106812	XLEGBLZMWJJBGS-UHFFFAOYSA-N	242.318	4.663	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)c1ccc(C(C)C)cc1	71163485	MPPVQICDXNFURD-WBVHZDCISA-N	246.394	4.598	0	10	BJAE	
Clc1ccc(N[C@@H]2CCC[C@H](C3CC3)C2)cc1	81623938	IHLGZGXPQZGBDB-SWLSCSKDSA-N	249.785	4.721	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CCC(C)C)CC1	83520689	FUEOQRFGUSSZTL-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
C[C@H](N[C@@H]1CCCC(C)(C)CC1)C1CCCC1	86909420	MKAXLBNFKDLJFO-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)c1cccc2cc([C@@H](CC)NC)oc12	88074915	CLQABSFKBOACBU-BXUZGUMPSA-N	245.366	4.617	0	10	BJAE	
CCCN[C@H](CCC)CCCCc1ccccc1	110445748	JAOIXNWITDPMOY-QGZVFWFLSA-N	247.426	4.568	0	10	BJAE	
CCC(CC)[C@@H](C)Nc1nccc2sccc12	111670055	IKGPTFBYDPJDCO-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H](CC)CCCC	124785731	POCUILQTXAIWQT-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](O)C1CCCC1	127388643	VHZBJEHGGLOMLA-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC(C)(C)C1	129462668	XNPCPNPQHLLNIK-AWEZNQCLSA-N	231.383	4.548	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)c2ccc(C3CCC3)cc2)C1	132996673	ZSBDRTVQFHXNMH-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
CC(C)[C@@H]1[C@H]2CC[C@H]1c1c(Cl)cccc12	145046688	DUMCDDLPJRZSPI-DMDPSCGWSA-N	220.743	4.587	0	10	BJAE	
CN[C@@H](CCCC(C)C)c1coc2ccccc12	165987156	AARVVGWBBJONEC-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCC)C1CCCCC1	167074377	QQZIRIPJCZJDLG-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](N)c1cc(C)c(C)cc1C	168678437	HNYGQXOCFCVYKV-MRXNPFEDSA-N	233.399	4.582	0	10	BJAE	
CC1=CCCC(C)(C)[C@@H]1C=C(Cl)Cl	196077105	RZMKPCIAQCPTDG-SECBINFHSA-N	219.155	4.688	0	10	BJAE	
Cc1ccc(C)c(CSc2ccccc2)c1	202952060	FZKZLSQASVWUMG-UHFFFAOYSA-N	228.360	4.596	0	10	BJAE	
CC[C@H]1CCCC/C1=C1/CCc2cc(N)ccc21	211457701	MWTGITXAGYYHNL-FUYOWACXSA-N	241.378	4.569	0	10	BJAE	
C[C@H]1CC[C@H](CC[C@@H](O)c2ccccc2)C[C@@H]1C	221322465	SLBZEMVLXVXVTN-LJIGWXMPSA-N	246.394	4.573	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)[C@@H]2CCCCC2(C)C)c1	226807501	SGEPXYSZHQGMJW-JKSUJKDBSA-N	245.410	4.520	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(C(C)C)CCCCCN1	302338432	LSJHRIISMKQWMI-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](Nc1cc(C)ccc1Cl)C1CC1	304382163	WVEFSISBHWSNDX-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
CSc1c(Cl)ccc2c(Cl)csc12	306772165	HHYFCMSPSAUIOZ-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@H](CCC)CC(C)C	308054661	OXARFBLTDRSYCX-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)CCC(C)(C)C	310280649	XBVUOTNZFSUUNR-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](N[C@@H]1C=CCCCCC1)c1ccccc1	310613068	DGNLHSHUZZUFEA-IAGOWNOFSA-N	243.394	4.616	0	10	BJAE	
CC1(CC(=O)c2cc3ccccc3o2)CCCC1	310982863	FFVMTAWUKUMCLV-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@H]1CCCC12CCCCC2	312999958	APTURLDTSCPYDI-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
C1CCCC(CNC2CC2)(C2CCCC2)CCC1	318248814	AXZPXKOGIHBIEO-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@@H](C)[C@@H](C)CC)CC1	319661905	QBHBWFAPOLDGAO-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](CC1(C)CCCC1)NCCC	380107574	JYZVXXBYLHMUGN-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCC1(CC(=O)C[C@H](C)C(C)(C)C)CCC1	381597297	FVRNVSKPIGNAFC-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCC2=CCCCC2)[C@@H]1C	384999523	VGMRLSAMMPDQRY-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1C[C@H]1CC(C)C	387667065	IXKYNXTZFLWWNN-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
c1ccc(Nc2ncc(C3CCCC3)s2)cc1	394525126	DQJPKTRABDQQJO-UHFFFAOYSA-N	244.363	4.544	0	10	BJAE	
CC/C(=C\C1(C)CCCCCC1)CNC(C)C	394675146	RMPZUEIFXLLBGG-NTCAYCPXSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@@H](C[C@@H](C)C1CCC1)NCC	398696800	IKYCVDZNTVPEJG-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H](C)C(C)(C)C	399089313	WEEYUJZMPPYBRS-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)=CCC[C@H](C)CCNC1CCCCC1	400788876	AVJWWJYQXRLGMG-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C1=C(CNc2ccc(-c3ccccc3)cc2)CCC1	401051394	BAQKQUJHBJKSQL-UHFFFAOYSA-N	249.357	4.876	0	10	BJAE	
CC(C)(CCC[C@H](O)C(C)(C)C)c1ccccc1	686653560	ZXFLLPVCQFNLBF-HNNXBMFYSA-N	248.410	4.542	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)CC2CCCC2)c(C)c1	689717358	LEMHXTYZHOBHFJ-HNNXBMFYSA-N	245.410	4.993	0	10	BJAE	
CCCCC1(CNC(C)(C)C)CC2(CCC2)C1	691419855	AYFCGRIXIHPGJB-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(F)cc1CC1CCCCC1	694939934	BZTBROATYZUTQH-UHFFFAOYSA-N	220.331	4.511	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@H]1C[C@H]1C(C)(C)C	699756740	KYEFBPDABUAPAC-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)C(=O)c1ccccc1C(C)(C)C	701308538	JHJRXJSVQUIKLX-UHFFFAOYSA-N	232.367	4.603	0	10	BJAE	
CC1(C)[C@H]2CC[C@@](N)(CCC3CCCCC3)[C@H]1C2	704416238	QPKBDBWFUOTWRD-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)CC1CCCC1	704459799	LTGCYBOOAYXDKA-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCCC[C@H]2C2CC2)CC1	704476066	XYDSXQMDQMYUDM-LCSXWQTCSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCC(C)(C)C[C@@H]1C	704494713	HFVVGSWSWSAESC-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](O)C1(C)CCCCCC1	704859874	ODFPEKYGNWFLQM-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1[C@]1(N)CCCCC[C@@H]1C	704937160	CFACWVKRONBEDF-YOEHRIQHSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)C)[C@H](C)CC(C)C	708312144	IHDQCXKRSXKHGB-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
C[C@@H](CN[C@@H]1CCCCC1(C)C)CC(C)(C)C	709121891	GPWMURSKBXYVQB-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H](C)CC(C)(C)C	709213768	RTHCOVSWDMCAKG-STQMWFEESA-N	226.404	4.844	0	10	BJAE	
CC[C@@H](C[C@H](N)CCCC(C)C)C(C)(C)C	711102056	DQRBLVYDYVFYTP-UONOGXRCSA-N	227.436	4.602	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)CCCC2CCC2)CC1	711161913	CXYUAXKYDQLUEC-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C[C@H](N)C1=CCCCCC1)C(C)(C)C	711215601	VJGKQYUMQBACQR-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CC(C)(C)CC[C@@H]1C	713075560	BJXAHZNNMRBAJS-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@](C)(CNC(C)C)CC(C)(C)CC	713246249	VTTFRMWIMOKCHT-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
C=C/C=C\CCC1(CNCC)CCC(C)(C)CC1	713700077	JTCZUJHTEDJIFC-FPLPWBNLSA-N	249.442	4.705	0	10	BJAE	
C/C=C/C[C@H](CC)c1ccc(C)cc1F	714520985	GNSFFKCQCPHJEP-FUEXJSSKSA-N	206.304	4.594	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CCC(C)=C(C)C	718507066	NCKXINKXUQKVBD-HOTGVXAUSA-N	239.447	4.913	0	10	BJAE	
CCCC(CCC)[C@@H](CCC(C)=C(C)C)NC	718604260	UTEKKUDWRGMQOQ-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
c1cc2c(cc1NCCCCC1CC1)CCCC2	720107974	LDCBVWGTLGCTJI-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CCNC12CCCCC2	721070102	DOOUPEYHHBOTMO-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CNc1ccc(-c2cc(C)c(Cl)cc2C)cc1	723898441	QTYPNXBKJLBTCP-UHFFFAOYSA-N	245.753	4.666	0	10	BJAE	
CC[C@H]1CCCCCN1C[C@@H](C)CC(C)(C)C	1307483171	OPSQTMDDSITCOL-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
c1ccc2oc(CSC3CCCC3)cc2c1	1613234246	GVECHUQUDNDLRJ-UHFFFAOYSA-N	232.348	4.609	0	10	BJAE	
CC(C)CCCN(C)C[C@H](C)C1CCCCC1	1647987127	PKCYFADNYZHCDK-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCCCN(CCC1CCCCCC1)C1CC1	1656980787	CVZQIJFBDROVMD-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC=CCCCc1cc(C)cc(Cl)c1	1885357569	AIGBKFMJZFTRCO-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
Fc1cc(C2CC=CC2)cc(Cl)c1Cl	1893699606	UBPJPRYLDVLXLZ-UHFFFAOYSA-N	231.097	4.566	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCCC[C@@H]1C	1900694774	BTWCTVOKLHBLDA-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CCC(CC)CC	1900704001	OLIJDWGGNQHJDF-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
CCN[C@H](C)CCC=C(C)CCCC(C)C	1900869686	VYZBZXZWEAWFQQ-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCCCCc1cc(F)ccc1C(F)F	1901885577	XKSLUJMIJNRWKR-UHFFFAOYSA-N	230.273	4.886	0	10	BJAE	
CC(C)(C)CCc1nc([C@@H]2CC2(C)C)cs1	1901906845	FWRJZBQQVLSAIA-JTQLQIEISA-N	237.412	4.635	0	10	BJAE	
CCC[C@@H](CC)C[C@@](O)(CCC)C1CCC1	1905398381	NCIPSOGELZPOER-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](NCC)C(C)(C)C	1905452396	CPSAFMFWVAKSHJ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)C1CC2(CCCCC2)C1	1912631817	AVDXNJVODZPLHQ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](CN[C@H]2CCC3(CCCCC3)C2)C1	1915865894	GRWLAYAYPRDMGL-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CCC2CCCCC2)[C@@H](C)C1	1916103350	FDCMCJSVQPZKEP-KCQAQPDRSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(CN[C@@H]2CCC3(CCCC3)C2)CCC1	1916509642	XURZGTVZEGDGQJ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H]1CC2CCC1CC2	1919511897	VRKZRYFGTFOTFL-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CCCC1CC(CNC2CC2)(CC2CCCC2)C1	1921276859	HJPLZJFOEPSFDG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](N[C@H]1CCCC12CCC2)C1CC1	1921502456	MHZFAEFLTKJFJT-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@H](C)NC1C[C@H]2CCC[C@H](C1)C2	1923460608	IRAVXDLBTJBJMP-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
Cc1csc(C)c1C[C@H]1C=CCCCC1	1925877845	UWTXDRKKUJYGOS-ZDUSSCGKSA-N	220.381	4.654	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCC(C)(C)C[C@@H]1CN	1927166323	QWAJPKKWRJASTR-UONOGXRCSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cc(C)cc(Cl)c1	1939678545	DWAITLYYQYKGCZ-FZMZJTMJSA-N	240.774	4.508	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1CCCC(C)(C)CC1	1939901388	UAWVYZWLSJMKPW-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)C(C(C)C)C(C)C	1940247015	WPJWGFCKSPLMLO-GJZGRUSLSA-N	241.463	4.862	0	10	BJAE	
C[C@H](C[C@@H]1CCCCN1)CC1(C)CCCCC1	1940406597	MTFATSJGXMWYHL-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)C(C)(C)CC	1940852098	BRQZXJMEFKPXHW-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)C1CCC(N)CC1	1940978198	XJNBGFBLAZCFCV-QRNKSROTSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC(C)(C(=O)CCC2=CCCCC2)C1	1941981121	AKIBRYMHIDZYJQ-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@]12CCCC[C@H]1CCC2	1944140982	HMFFAPVEPVCUTL-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)NC1CCC2(CCC2)CC1	1944546577	OWDOGCNFFMBQBR-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)c1ccc2sccc2c1	1944622248	KERJYTWZYYOODH-CQSZACIVSA-N	248.391	4.617	0	10	BJAE	
Cc1cscc1N[C@H](C)C1C[C@H]2[C@H](C1)C2(C)C	1944701634	JQAPNZLQYXRHTJ-WXHSDQCUSA-N	249.423	4.539	0	10	BJAE	
CC1(CCNC2CCCCCC2)CCCCC1	1945431629	DUKAJXYZTPWECR-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1CCC(C)(C)C1	1945581641	HELJQKLIOOOBOW-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H]([C@H](O)CCCCCC2CC2)C1	1945582075	KEANDITYIOWTAB-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(N)CC1(C)CCCCC1	1947460715	HHWUVEOJDHZVNN-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(NC2C[C@H]3CCCCC[C@@H]3C2)cs1	1947861144	YKQJVZTVQYVXIL-CHWSQXEVSA-N	249.423	4.827	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC12CCC2)c1cccs1	1947881171	LLWVPFKBYADIEO-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
CCC[C@H](CC1CCC(C(C)(C)C)CC1)NC	1948863215	KZGAVVAPVKZDGC-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@]1(N)CCC[C@@H](C(C)(C)C)CC1	1949085734	JEYFYLSARIGZID-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1c2ccccc2NC[C@H]1C	1949113523	YMJSOKPEPAPTPO-WOSRLPQWSA-N	231.383	4.514	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCC=C(C)C)CCC1(C)C	1949660064	GSCZYHIPHBXNQC-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)CNCCC1CC(C)(C)C1	1949849201	ZPSYSNVGMCEZMU-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)C[C@H](CC1CCCCC1)NC	1949920236	YNTCBPMZDSADBG-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@H]1CCC2(CC2)C1	1950241699	GZQUWMVVMDONFE-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@]1(C(=O)O)CCC[C@H](C)CC1	1950911937	SQRJHSUDEYGYRU-DZGCQCFKSA-N	240.387	4.628	0	10	BJAE	
CCC(F)(F)CCC(=O)[C@@H]1CCC[C@H](C)CC1	1950930684	QSEIQTXEQSYWOZ-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
O=C(CCCC1CCC1)c1ccsc1Cl	1959878459	JVCSTVGVWDCKRD-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
Clc1ccccc1NC[C@@H]1CCCC2(CC2)C1	1968255652	AFOLPLGSSDBKRH-GFCCVEGCSA-N	249.785	4.722	0	10	BJAE	
Cc1cc(F)ccc1NC[C@@H]1CCCC2(CC2)C1	1968361946	UGANFUSBDFFHBY-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@H]2CCCC3(CCC3)C2)C1	1969988712	IOXKHCOIPIACHV-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](NCC)C1CCCCCCCC1	1980333605	FMSCRHFKLXNRCI-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)C1(C)CCCCCCC1	1981416790	SRFSQQZOCRJDFP-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CC=CCCCC(=O)C[C@H](C)CC(C)(C)C	1984577358	DPKXFDYFKKHBRF-ZDUSSCGKSA-N	224.388	4.764	0	10	BJAE	
C/C=C/CCCC(=O)c1ccc(Cl)c(C)c1	1984589288	ODCDSXJBMXBWEU-ONEGZZNKSA-N	236.742	4.578	0	10	BJAE	
CC=CCCC[C@H](CCC(C)(C)C)NCC	1984619584	VZHFJWCHKRPNKK-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
C1CC[C@H]2[C@@H](CC1)[C@@H]2CC1CC(=C2CC2)C1	1985531648	YRFRFBUFSBCURS-ZSHCYNCHSA-N	216.368	4.703	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@@H](C)C(C)C	1995260165	SYQJQTOLORIZNT-RRFJBIMHSA-N	228.420	4.636	0	10	BJAE	
CCC1(NC2C[C@@H](C)C[C@H](C)C2)CCCCC1	1995690975	ISIGGUQHYBCEPN-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC1(CCC[C@](C)(N)C2(C)CCCCC2)CC1	1995974167	BPUCYSSCYGUYDM-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)CC[C@](O)(CC)C1CCCCC1	1996561358	MABSVAYCYDHEMP-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)C1CCC(CC)CC1	1996610725	LSLQSPUPJOQAMO-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCC(C)=C(C)C)CC1	1997190687	HWRBIACILDHTLT-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCNCCC(C)(C)C[C@H]1CCC=CCCC1	1999996898	SXPZKQGYLFSGPF-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(O[C@@H]2CCCC(C)(C)C2)c(C)c1	2000107977	WBKKREOADFVBLE-CQSZACIVSA-N	232.367	4.651	0	10	BJAE	
CCCC[C@@](C)(CCCCCF)CNC(C)C	2000482885	HQUDAIXBYSOZMC-HNNXBMFYSA-N	245.426	4.711	0	10	BJAE	
CCCC[C@@](C)(CNCCC)C[C@@H]1C=CCC1	2000522118	AXPUQHUANUJWII-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@H]1CC12CCCCC2	2001211843	VDYGDAHLBSQMDX-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCc1ccc(-c2cc(C)cc(Cl)n2)cc1	2003072265	OWOCTMWSFGOHEZ-UHFFFAOYSA-N	245.753	4.663	0	10	BJAE	
Cc1ccc(C(=O)CCCCC2CCC2)cc1	2003647973	YZLHATMYPFIFSS-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
C[C@@H](NCC1(C)CCCCCCC1)C1CCC1	2004942482	SWIIEBYTBOJMLW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(CN)CCCCC1(C)C	2005589111	KLXKVFXOOIFVFT-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCC[C@@H]1F	2006677913	QHEIDUQRUZZJDD-DZGCQCFKSA-N	235.346	4.503	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)c2csc(C)c2)CCC1	2006923789	WENJQPGWPXKIMU-UKRRQHHQSA-N	249.423	4.596	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(CF)cc2)C1	2007029479	XCXUWLNQNJGLLJ-IUODEOHRSA-N	235.346	4.537	0	10	BJAE	
CCCCC[C@](C)(N)CC1CC(C2CCC2)C1	2007769887	VRJNBPKTTSEHLR-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
N[C@H](CC=C1CCCCC1)CC1CCCCC1	2007944534	IKEURGGLGPZGMZ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C=C=CCC[C@H](NCCC)c1sc(C)cc1C	2010985711	RQCUEHCNVLCJFR-AWEZNQCLSA-N	249.423	4.527	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011947463	BITNPMHDGBJTQR-ZSOGYDGISA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@H]1CC(=O)CC2(CCC2)C1)C(C)(C)C	2012084894	SKHRTQATKBBRIU-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@](C)(O)C2(C)CCCC2)C1	2014327365	XVCJGXXRTSHTBV-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)[C@H](C)CC(C)(C)C	2015291577	TYXWSFPQNXODCB-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C[C@@]1(N)CCC[C@@H](C)CC1)C(C)C	2015403282	ZEUSSMJFEUMYAV-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CC12CCC2)CC(C)(C)C	2015517442	DHNLLAFQXBWHMJ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CC12CCC2)NCC	2015539070	WPBYNQAWUNJYDT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)C2(C)CCCCC2)CCC1	2015594747	SOFDOZKSKZJAHQ-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](C)CCC=C(C)C	2016150686	XFAJQFYFOOBOJE-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@]2(C)C[C@@H]2C)CC1	2016431276	ZBNCVUARRQIVBQ-WLIAPVHPSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C[C@H]2CCC[C@@H](CC)N2)CC1	2017736644	YODQXTCVJWEOBT-QDIHITRGSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@@](C)(NCCCC2CCCCC2)C1	2017866963	BGMHVPGVAAUXSG-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@](C)(O)C2(C)CCCCC2)CC1	2018965050	NOAPQXYESZJJMH-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@@H](C)CC(C)(C)C	2019190716	NDGHUJZUZWDBBT-LSDHHAIUSA-N	241.463	4.959	0	10	BJAE	
CC[C@@H](C)CCN(C)CC1CCC(C)(C)CC1	2019233053	RVHXFOTYZLXNCE-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCCC1(C[C@H]2CCCC(C)(C)[C@@H]2O)CCC1	2020400600	NTSNIAOCJYWHIA-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)CC1CCC(C)(C)CC1	2022410948	DCXRGBJOPUSVRI-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@H](C)C1CCCCC1	2022411096	FDSUBBIPCYYBDX-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN(C)CCCCCC(C)C	2022459881	LXSWNRSRYMZGFT-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
C[C@H](C[C@H]1CC(C)(C)CC1=O)C1CCCCC1	2023636804	QRTJMQQQJVUYDF-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C[C@@H]1CCCC(C)(C)C1)NC	2024090715	AVZMJBBBLHDLKE-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C)C[C@H](C)C[C@H]1CCCC(C)(C)C1	2024090780	BKGSMAUYYJBUBL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CCCC(C)(C)C2)C1=O	2024103436	ZUSWSDLCPYRAKF-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CC(C)(C)CCC2=O)C1	2024122792	GJNMMNCYNHRBLH-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(O)C[C@H]1CCCC(C)(C)C1	2024129744	XPPGHJCWEUTFEV-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](O)C2CCCCC2)C1	2024129952	ZHTYLZDUVFAHEZ-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC1CC2(CC2)C1	2026139993	BLZFKINGYLTBSB-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CCC1(C)CC1)NC	2026170367	PENXCNYZGBAYIA-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@H]1CCCC1(CNC2CC2)CCCC1	2027841077	WXWACQWWVQWLKT-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C=Cc1ccccc1)C(C)(CC)CC	2028570717	BKIQPTGXAFKYSQ-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCCCCC2CC2)c1	2028631709	RJYVMEYTFSLPBV-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)c1cc(C)oc1C	2028633328	HRUGRIZJVDXNJS-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
Nc1ccc2c(c1)CC[C@H]2CCCCCC1CC1	2028635602	AXVLLEQNRHCJEX-CQSZACIVSA-N	243.394	4.659	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)C1(CC)CC1	2028872361	DWPOTXOSJLGHGG-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@H](N)[C@@]23CCCC[C@H]2CCC3)CC1	2031756041	AXSZWOKRJCJGAV-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(OCC2[C@@H]3CCCC[C@@H]23)cc1	2032784087	SUYITHDGJYICEF-HZPDHXFCSA-N	244.378	4.625	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C2(C)CC(F)C2)cc1	2035854643	ILWOOSOGFPJBLW-OLQXHTCTSA-N	248.341	4.521	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@H]2CC23CCCC3)CC1	2036135400	VLJPEDQLJMGVLS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)CC1	2036669000	WHICOBBMFQRQAS-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]([C@@H]1CCC2(CCCC2)C1)C1(CC)CC1	2037690758	OCDBIAOFBQWOHI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)CC2CC3(CCC3)C2)C1	2037974048	GYOJGAAMLXFNJG-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)C[C@H]1C=CCC1	2037974701	ONHNZVDPMSBUBL-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1=CCCCCCC1)c1ccccc1	2038135144	VZPFMYRDCHAKRX-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2039382937	DWFVBUQGFGKKKS-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(CC(CNC3CCCCCC3)C2)C1	2039423476	BTHRNBPUKYWQLE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C1=C(CCN[C@@H]2CCCC3(CCC3)C2)CCCC1	2041300359	OVJNXZJMPJCYIZ-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@H]2CC23CCCC3)C1	2043002622	PMGDVEKQPQSTDI-JXQTWKCFSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CCC2)C1)C1CCCCCC1	2043604980	KTDJJCONCJVEGG-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1C[C@@H]1c1ccc(C(=O)CCCC2CCC2)o1	2045562068	NNQYGIJPRCBCEI-AAEUAGOBSA-N	246.350	4.556	0	10	BJAE	
CCCCC[C@H](NCC)c1ccc([C@H]2C[C@H]2C)o1	2045763016	FLBAOMMZTOJMLZ-RDBSUJKOSA-N	249.398	4.634	0	10	BJAE	
CCCN[C@@H](CCC1(C)CCC1)c1ccccc1	2046914480	XPWWGMKXWANLSY-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)c1c(C)cccc1C	2048868830	NVQURBWHHZENGN-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CC1(C)CCC[C@@H](C2CCC3(CCCN3)CC2)C1	2048954403	WJAOQRILXLWAEX-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NCCC1CC=CC1)[C@@H]1CCCC(C)(C)C1	2049536009	IZVOXQUYCFBZCN-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)C[C@H]1CCCC2(CC2)C1	2049858494	VJOFZXKPANITMY-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CC2CCC3(CC2)CC3)[C@H](C)C1	2049963476	MUTAAWYXXRGEDZ-GUTXKFCHSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCCCC1CCC1)c1ccccc1C	2050455684	IIOSFBTWUMXAFG-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2051407094	HWVMCVUEQAWBNI-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)C)c1c(C)cc(C)cc1C	2051409596	SHMWJSYGYHGYTP-INIZCTEOSA-N	245.410	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@@H]1C=CCCC1(C)C	2055545247	UGQBXDPFPFVCAA-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(NCC2CC(C3CC3)C2)cc1	2056727078	FDSQJOVWZCNNPU-UHFFFAOYSA-N	243.394	4.658	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1ccc(C)c(F)c1	2059249020	DINVEPOIFBBTMM-MQDFFIGUSA-N	249.373	4.531	0	10	BJAE	
CC=CCCC[C@H](NC)[C@]12CCCC[C@@H]1CCC2	2059254648	AOJRXSZEDNGYSU-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H](CC)c1ccccc1	2059259245	NFKOSCOYVHDNLW-IRXDYDNUSA-N	245.410	4.515	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)[C@H]1CCC[C@@H](C)CC1	2060922228	QFXUCNMWFYBFSX-AESZEHBQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)C1=CC[C@@H](C)CC1	2060926493	RIFNFXKWVCNKGG-VXTDNTOSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H](N)CCC2CCC2)CC1	2061080502	HZXFXHMWXNRCGV-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
CCC[C@](N)(C1=CC[C@H](CC)CC1)[C@H]1CC1(C)C	2061113060	LHPXVZYGIULJOA-QRTARXTBSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CC[C@]12CCC[C@@H]1C2	2061618168	SYISIVPAAQIVEK-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
CCCNCCC=C(C)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063492581	ZPZLSCDQNQMFMF-BJWYYQGGSA-N	249.442	4.539	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063514520	BEBHNEFKZKFFIY-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C12CCCC1CCC2	2063831203	TWVJKMFFCHNTBY-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1CC2(C1)CC21CCC1	2064126997	KYFQYJYPKMOEHU-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)CC23CCC(CC2)C3)C1	2065274911	NPNHFMQHXFBEAR-VPABYTGTSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(CC12CCC(CC1)C2)C1CCCC1	2065340505	WTTBIWNTGGTJLX-BDVYOWHSSA-N	249.442	4.645	0	10	BJAE	
CCCC1(CC(=O)C2[C@@H]3CCCCC[C@@H]23)CCC1	2069285312	QIGRNVACXUTMIA-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@]2(C)CC=CCC2)CCC1	2069335647	QQECQJSLIFHSNE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]2C2CCC2)CC1	2071800286	SUHXDOHUPQLZIY-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1(CCC(=O)c2ccccc2F)CCC1	2071912147	BRBKJRGVGLYBEY-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CC1(C(C)C)CCC1	2071947322	YVJYSTCZPNAWAB-XHSDSOJGSA-N	249.442	4.523	0	10	BJAE	
C1CCC(CCN2CC[C@@H]2C2CCCCC2)CC1	2074889311	QPKYUHFNCNAVFV-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
C[C@H](N(C)[C@H]1CCC12CCCCC2)C1(C)CCC1	2075013445	TYLLQQNGFPAWSX-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)C1CC1)c1ccccc1	2075815375	VGGRTTSIJVODPL-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
CC(C)=CCCNC[C@@H]1C[C@@H]1C1CCCCCC1	2079457479	IGINNMZFOVVBKJ-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@H]1C[C@H]1C1CCCC1	2079484644	IKFASFOFECPPBV-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CCC)[C@@H]1C=CCCC1	2079630085	VLCMGGGXWFKTSR-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(CC=C2CCC2)CC[C@@H](CC)C1	2081676049	FCQUYZQVYIHBQB-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1	2082980698	XJVQURIVORDKCZ-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@@H]1C[C@@H]1C=CCCC1	2083656348	NSWAFYZWLQLZCW-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCN(CCCCCCC1CC1)C(C)(C)C	2213581874	BHVUTBKUMKWBHX-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](O)CCCCC1CC1	2214564086	ULQNWIXTPADPIX-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(N)CCC[C@@H](C(C)(C)C)C1	2216250482	AXGNJFDTEGNPET-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@@H](N)CCCCCCCCC1CC1	2216875906	ABUFSJRRKLYKNT-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CCCC(C)(C)C)CNC1CCC1	2217155607	DHBPUGDIXICSAA-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1ccc(CC(C)C)cc1	2218645664	IXYUWNMARRAKQY-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
CN(CCCCCC1CC1)[C@@H]1C=CCCCCC1	2218674858	MGGCTUDSYSWJCZ-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
C(CCC[C@H]1CC[C@@]12CCCNC2)CCC1CC1	2218728558	VAVZSKHUUUTAHQ-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CCCCC[C@@H](CC=Cc1ccccc1)NCC	2219087004	VTBZWOGNXXNNEU-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CCCCC1CC1	2220027515	JBTZUDGBFYDBNR-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@H]2CC23CCCCC3)C1	2221071365	JDNKAAZODYSQNH-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CC2(C)CC3(CCC3)C2)C1	2221090749	PAJJEVXMWMZMGV-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)C2=CCCCCCC2)CC1	2221627679	VOHZIHHFGCZNLL-DLBZAZTESA-N	247.426	4.731	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H]2C[C@H]3C[C@@H]2C3)CC1	2222309086	BMHXBGAKOHEATB-NEADZQPHSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)NC[C@H](c1cccc(C)c1)[C@@H](C)CC	2223551933	UBGHFXKNNBZGPH-ZOBUZTSGSA-N	247.426	4.513	0	10	BJAE	
C[C@@H](CC1(CNC2CCC2)CC=CC1)C(C)(C)C	2223595945	CNYDJIBOPDAYMW-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@@H](CC)CCC	2244777790	MRWRYJKJMHFCTF-QLFBSQMISA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC[C@@H](C)CCCC(C)C)NC	2244848345	ZGJSVDVTWRYDIY-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCC(C)(C)C1=O	2245473402	UWPGANCKZBMBNV-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCCCC[C@@H]2O)C1	2246728475	SJXNFFKIZRMCEG-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(CC1CC2(CCCC2)C1)C(C)(C)C	2246784989	YJKJHRQRGYPKCM-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC1CC2(CCCC2)C1	2246819807	LDXMMYZMGJILEL-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
C1=C(Cc2ccc3c(c2)CCCC3)CCCC1	2247512582	JYPNWKLCZZLISG-UHFFFAOYSA-N	226.363	4.608	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1CCCC12CC2)NC	2247604490	BRSSHUBOSHCADY-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CCNCCCCC[C@@H]1C[C@@H]1C	2248867070	SWCAPCBEFMCFDD-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC1(O)CC(C)C1	2250466209	BKFROYKKBYZTBO-QQFBHYJXSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CC[C@H](C)CCCC(C)C)C1CCC1	2250470313	YTRJYPRBIZXOOJ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@@H](O)CC[C@H](C)CCCC(C)C	2250477995	DKFAVFLCQUZFAU-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@@H](C)CC[C@H](C)CCCC(C)C	2250489670	ARAVWVUTQOZLMZ-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@H](C)C1(C)CC1	2250526675	GGMYJHIYMNAWAX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCC[C@@H]1CC[C@@H]1CCCCC12CC2	2253813080	BUSBFZPJBKUHJB-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCNC23CCC3)C1	2253975186	YNPPGLYJCGMVIH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCC1CC1)CC1CC2(CCCC2)C1	2254040992	GZHULVPVZHGADL-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(C[C@H](N)CC1CCCCC1)C2	2254465062	JZFWIVFGSJRILO-XOJNLIDHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1CN1CCCCC12CCCCC2	2254912838	FZYHSXLIMPKXMU-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC(=CCCCC[C@@H]1C[C@H]1C)c1ccc(N)cc1	2257253986	FCTLUGAQNWHJFE-GDBMZVCRSA-N	243.394	4.889	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1(N)C[C@H]2CC[C@@H](C2)C1	2257362112	PXTUVHLAWXSSAN-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)c1ccc(CC)cc1	2259431859	YPSOUMZVJJPQKD-WBVHZDCISA-N	247.426	4.726	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@]23CCC[C@H]2CC3)CC1	2260517066	QCXBURRBMVCNEM-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@]12CCC[C@H]1CC2	2260586817	JQJSOJZSGBFAKY-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)C[C@]23CCC[C@@H]2CC3)CCCCCC1	2260611671	WLXNHHLKIVAJTP-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC1(C(=O)C[C@@]23CCC[C@@H]2CC3)CCCCCC1	2260652960	VRCJDYSHBMAHIF-PBHICJAKSA-N	248.410	4.886	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@]12CCCC[C@@H]1CC2	2298703844	QPZHWNCCFBOJHN-FMKPAKJESA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C[C@H](N)[C@H](C)CC1CCC1)C(C)(C)C	2298878320	KBODMWIJZWXYIU-YUELXQCFSA-N	239.447	4.602	0	10	BJAE	
CCC(C)=CCNc1ccc(C(C)(C)C)cc1	2300864059	WYXNEKROVOJYLZ-UHFFFAOYSA-N	231.383	4.752	0	10	BJAE	
CC(=CC[C@H]1C[C@@H](C)CCN1)CCCC(C)C	2300876113	CKTQXACIVKRJAI-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCCCCc1c(C)ncc2ccccc12	2302231138	PAXNKBKTVBUWOY-UHFFFAOYSA-N	227.351	4.666	0	10	BJAE	
Cc1cc(-c2ccc3c(c2)CCC3(C)C)cs1	2302252602	UDKUWKRSLPJDOG-UHFFFAOYSA-N	242.387	4.947	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CCCC2=CCCCC2)C1	2302332032	RFRUGQLJAVACLX-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@@]2(C)CCCCN2)CC1	2302541993	HBBQOQNKIPAQMS-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CC2(C1)CC2(C)C	2307910046	MLAHGECQRJQZNU-FUJMWEONSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1CCC(C)(C)CC1	2307924030	NDHJIKDKNWNXJA-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2312823593	RYJUIIRBEBWVDF-YALNPMBYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@@]12CCCC[C@@H]1CC2	2313311136	QSNZSETYTJWOCO-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](C(CC2CC2)CC2CC2)CC1	2313605956	JWJDBWBLDPCFFV-WBMJQRKESA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](c1ccc(C)c(CC)c1)[C@@H](C)CC	2314703268	VFYUXCRMUUIVMH-SUMWQHHRSA-N	247.426	4.644	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@@H]2C[C@@H]2C1)CCCC(C)C	2316491379	RAAMOOLEFOJSRY-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC)CCCCC12CCC2	2316491893	QVVAZQBAAINOFH-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@H]1CCCC2(CC2)C1	2316879668	GMVSPUUMPBEGJT-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](NCC)c1ccc(F)cc1C1CC1	2317095553	UNQRSMUATANHRB-INIZCTEOSA-N	249.373	4.544	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@H](C)[C@@H](C)C(C)C)c(C)c1	2317822243	AHZTXKGZYUSTQQ-UXLLHSPISA-N	247.426	4.540	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C[C@@H]1C=CCCCC1	2317968946	JKRGIJBHBYITKN-SJORKVTESA-N	248.410	4.764	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1cc(C2CC2)ccc1F	2317989305	JXUMHRPQCNKHRK-VXGBXAGGSA-N	249.373	4.796	0	10	BJAE	
CCc1cc(C(=O)CCC[C@H]2C[C@@H]2C)ccc1C	2318933774	PUZARQFUEDJLOT-ZFWWWQNUSA-N	244.378	4.566	0	10	BJAE	
Cc1cccc([C@H](N)CC[C@H]2CCC(C)(C)C2)c1	2319317211	JHJQTTCOYQYDLY-GOEBONIOSA-N	245.410	4.601	0	10	BJAE	
N[C@@H](CC[C@H]1CC[C@@H]1C1CC1)C1CCCCCC1	2319752345	XOHPVBZGRNJQCC-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H]1CC[C@@H]1C(C)(C)C	2320101351	NTLRFVQQHBEUAJ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(N[C@H](CC2CC2)C2CC2)CC1	2320522645	CWMXWYWDWADKRP-AQFXKWCLSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](N)Cc1cccc(C(C)C)c1	2320648069	HYZDQNNAVZKGIT-KRWDZBQOSA-N	247.426	4.650	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCCC23CCC3)c1	2321089050	IBUHEINPWRYWHO-OAHLLOKOSA-N	247.357	4.523	0	10	BJAE	
CC1(C)CC[C@H](CCNC2(C)CC3(CCC3)C2)C1	2321626064	RGCPDQSNIHBOJS-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)CC2=CCCCC2)C1	2321639181	IPALAALUZACWDP-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(C)c2[nH]c(C3CCCCC3)cc12	1516990	GWJGVFLAYKWYMN-UHFFFAOYSA-N	227.351	4.832	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCC[C@@H](C)C2)cc1	21014169	SGNYGRPFQJMKMD-CJNGLKHVSA-N	231.383	4.801	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)CCC(C)C)cc1C	21514387	QAAZJCHCEBYZQB-HOTGVXAUSA-N	247.426	4.779	0	10	BJAE	
CCCC[C@H](NC1CCCC1)c1ccc(F)cc1	21807689	HFAKVGSDUZKWTF-INIZCTEOSA-N	249.373	4.589	0	10	BJAE	
Clc1ccc2coc(-c3ccccc3)c2c1	21992399	VSHCEGXJJIQXQI-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
CC(C)c1cc(Cl)c2cccc(Cl)c2n1	36913032	XCHPMKDRGYUKTP-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CCCCC[C@@H](N)c1ccc(Cl)c(Cl)c1	37377829	HZXGPGILFHZSDL-GFCCVEGCSA-N	246.181	4.574	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@@H](C)CCCC(C)C	70978082	ZPPHJXLXHISXNP-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
C[C@H]1C[C@@H]1[C@H](Cl)c1ccc(Cl)c(Cl)c1	71087671	IYKLAOIXAJXGIK-GEOGLEFRSA-N	249.568	4.929	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CCC(C)(C)CC2)C1	79675612	ZMNBGDFFVMQFHI-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](Nc1ccc2sccc2c1)C1CC1	83055164	LGARICFBVWKXSD-ZDUSSCGKSA-N	231.364	4.502	0	10	BJAE	
C[C@H]1CC(CC[C@H](N)c2ccccc2)C[C@H](C)C1	84958271	IKJOGECLVIWDQC-CPUCHLNUSA-N	245.410	4.539	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(c2cccc(C)c2)CC1	86939525	RPNQHRHFMCDZHZ-RDJZCZTQSA-N	245.410	4.529	0	10	BJAE	
CCCNCCCCc1ccc([C@@H](C)CC)cc1	87730128	DUFANRKXJGUBRU-HNNXBMFYSA-N	247.426	4.522	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)C1CCC(C)(C)CC1	87942768	KKODMJOUWCWNMM-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](N)c1cc2cccc([C@H](C)CC)c2o1	88074885	RCZWEOMAWOTGSM-BXUZGUMPSA-N	245.366	4.746	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(C(C)(C)C)CCCN1	91446182	NILTYQSOVWKXOR-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)N[C@H](CC)c1ccc(CC)cc1	103974880	RYCVZAJSKDHUIL-RHSMWYFYSA-N	247.426	4.868	0	10	BJAE	
CCCCc1ccc([C@@H](CC)CC[C@H](C)N)cc1	107478965	IVLNRXCFROLFOZ-HOCLYGCPSA-N	247.426	4.650	0	10	BJAE	
C/C=C\C[C@@H](CC)c1cc(Cl)ccc1OC	107581322	PTWMFEFKGLYBSY-VLWUPBBWSA-N	238.758	4.808	0	10	BJAE	
CCCC[C@H](N[C@H](CC)C(C)C)c1ccccc1	109929024	QMHGKYPHHMHWIA-SJORKVTESA-N	247.426	4.942	0	10	BJAE	
CC[C@@H](C)C[C@@](C)(O)c1cc2ccccc2s1	127025171	ZDHVUHOUGZZXRI-IAQYHMDHSA-N	248.391	4.545	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCCC(C)(C)CC1	127879767	KASRJGBJEHBLML-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)[C@@H](NC)c1cccc(CC(C)C)c1	131814338	UOLXPILLYXNVHN-QGZVFWFLSA-N	247.426	4.582	0	10	BJAE	
CCCc1cccc([C@@H](O)C[C@H](C)C(C)(C)C)c1	159832354	SFUDBDQACYFZIJ-BBRMVZONSA-N	248.410	4.745	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C1(CC)CCCC1	162486888	GRBNVQWVYHNCSP-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1csc2ccccc12	167247615	PRRNAHCKVCCSME-FZMZJTMJSA-N	247.407	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cc(C)cc(Cl)c1	229271917	JQYYGGCUSYWETG-YGRLFVJLSA-N	240.774	4.508	0	10	BJAE	
CCC1([C@@H](N)C2=CCCCCCC2)CCCC1	232894809	QLESASXILDWXIW-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC[C@H](C)[C@H]2C)cc1	249721323	HOHJLPOXPBAOLL-JJRVBVJISA-N	245.410	4.876	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H]1CCC[C@H]1C	300285416	SFYXEOBAUYCAMC-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1ccc(NCCC2CCCC2)cc1	302291675	XPBGERUCPJSWKN-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)Cc1ccc(C(C)C)cc1	306022337	OEXKSVOKTTZNTF-RHSMWYFYSA-N	247.426	4.506	0	10	BJAE	
CCc1cc(N[C@@H](C)c2ccc(C)o2)ccc1C	306025200	OQTUROFAWQYZMG-ZDUSSCGKSA-N	243.350	4.632	0	10	BJAE	
CCc1c(SC)sc2cccc(Cl)c12	306983531	TUDGUVTXIXOLIF-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1ccc2sc(SC)c(Cl)c2c1	307428972	SUMNYSJJJKZDFU-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@H](CC)CC(C)C	308109284	XZUSIHNWFPBDQG-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)[C@H](C[C@@H](C)C1CCCCC1)NC	310204896	BMVHXPCNINWIEY-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)C[C@H]1CCC[C@@H](C)C1	310492490	HOLFJFWYHKLGHK-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)CC2CCCC2)CC1	310507840	KXNQVKGGPGIRAS-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)C)c1ccccc1C(C)C	310795362	CEYYSMJDGWJJTL-KRWDZBQOSA-N	247.426	4.897	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1ccccc1C(C)C	310839924	MCUGDRXPNOFMHQ-KRWDZBQOSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CNC)CC=CCC1	317585096	NUCCVUUAAMLRPN-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)[C@H](C)[C@]1(N)CCC[C@H](C(C)(C)C)CC1	319537775	FQNBDWLVYRQZBY-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C1CCC(N)([C@H](C)C(C)C)CC1	319609048	MCFPRDLDNSXKJO-VQCLRJIVSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)C1CCCCC1	379969842	MQOMCQCUUCBLMT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H](C)CC(C)C)NC	382668004	YBQHXESUGHQSQO-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(F)ccc1NCCCCCC(C)C	383128107	KJSPJNJGPRJONL-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CC(C)C(C(=O)C[C@H]1CCC[C@@H](C)C1)C(C)C	383545486	VQQKZYCWLBYUGM-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
C[C@H](C[C@@](C)(O)C1CCCCC1)c1ccccc1	384330489	UHCICBBBRHNWJN-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H]1CCCC[C@H]1C	384392406	ATODFBKYKFDNRN-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CC(C)Cc1cccc([C@@H](O)[C@@H](C)CC(C)C)c1	384468472	RGFWXQBALZOVQA-YOEHRIQHSA-N	248.410	4.601	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCCC23CCCC3)C1	385526619	QODDZBQSDONUNV-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(C(F)F)cc1	386277075	CZXRVDZVADEDND-LLVKDONJSA-N	227.298	4.615	0	10	BJAE	
CC[C@@H](N[C@H]1CC12CCCCC2)c1ccsc1	386981989	CBOVUPRJEHEOGI-KGLIPLIRSA-N	249.423	4.512	0	10	BJAE	
Cc1cc(C(=O)CC2(C)CCCC2)sc1C	390466613	ARNCALITVOEWGS-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCc1cc2c(CC)csc2cc1C(F)F	396168982	PEVJJLNBRQFZDR-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1cc(F)c2sc(C(F)F)cc2c1	396202371	SOLSMBXLMZKTLE-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CSc1ccc2cc(F)sc2c1C(F)F	396235441	HNIOPNOPLHBWAY-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCC[C@H](Nc1ccccc1C)[C@@H]1CC1(C)C	397606833	HJUHSMGFLDSPMC-ZFWWWQNUSA-N	231.383	4.622	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C1CCC1)c1ccccc1	398767736	YEVGPBJGQQADEO-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)c1csc(C)c1C	399916893	YKAGKWJPWDMCJH-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)CC1=CCCC1	401052424	XDIKIOWOSXBRJK-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC(C)(C)N1CCCCC[C@@H]1c1ccc(F)cc1	616604570	GBLBICIMQCYYSF-OAHLLOKOSA-N	249.373	4.541	0	10	BJAE	
CCSc1cccc(N[C@@H]2CCCC[C@H]2C)c1	689702422	PWVKOANHWCMEMK-IUODEOHRSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccc(C2CC2)cc1	690102213	ISCDPDRMMAWFAO-DYVFJYSZSA-N	243.394	4.945	0	10	BJAE	
CC(C)c1ccc(C(F)(F)F)c(C(C)C)c1	694937142	COSQXLFBPBCDHG-UHFFFAOYSA-N	230.273	4.952	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CCC[C@@H](C(C)C)C1	695102200	YYDMKXFNKVKWGU-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CC(C)(C)CC	696659690	OSFXUCHVGYMEMA-KBPBESRZSA-N	228.420	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@H](C)CCNC(C)(C)C	696804693	AKBBKLWPUFEGHX-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H](C)CCC	697776855	BHWGDEJAHKURGD-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CN[C@H](CC[C@H]1CCCC[C@H]1C)c1ccccc1	704882165	XVHKCYNZGIGTBM-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
C[C@@H]1C[C@H]1/C=C(/CNC(C)(C)C)C1CCCCC1	705264346	FCIJJFDIRSVNSI-QDFKPCHESA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C1CC(C)(C)C1	706081848	MGIMGODEOVPZQM-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC[C@@H](C)C(C)(C)C)C1CC1	711225467	LUQVIPLEVLJLHH-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)(C)C(C)C)C(CC)CC	713185798	UETXJIZXOOSLIL-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCCC(CCC)C(=O)CC[C@@H]1C[C@H]1C1CC1	714864037	DHNLQSOSMMMHLB-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC1(CNC(C)C)CCC=CCC1	718081479	BREMQXPYNWZHCC-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccc(C)c(C)c1	718718766	CPYSECNLLXTGQV-UHFFFAOYSA-N	230.351	4.623	0	10	BJAE	
CCC(C)(CC)[C@H](C[C@H]1CCC[C@@H](C)C1)NC	721656628	UBPYIFHPGWUTOJ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@H]2CCC[C@@H]21	722060136	CYNDYCMLZCUYKW-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)C(CC)CC	723542989	ABUWGSZWJHCHPJ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CNc1ccc(-c2ccccc2C2CCC2)cc1	723887288	SCUCENRTGZSGAG-UHFFFAOYSA-N	237.346	4.663	0	10	BJAE	
C1CCC([C@@H](NCCC2CCCC2)C2CC2)CC1	724010289	OHHQROKERUVRJR-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
c1cc2cc(NCC3CCCCCC3)ccc2o1	1179307929	HQXBSIIJDFLYRQ-UHFFFAOYSA-N	243.350	4.815	0	10	BJAE	
CCC(CC)N(C)[C@H](C)c1ccc(Cl)cc1	1257299865	DOPXCNQARWXCAQ-LLVKDONJSA-N	239.790	4.521	0	10	BJAE	
C1=C(CS[C@H]2CCCc3ccccc32)CCC1	1472981382	VHWODAJWMIOVJO-INIZCTEOSA-N	244.403	4.908	0	10	BJAE	
C1CCC(CCCSC2CCC2)CC1	1656572272	LOSAJLINBVWRRW-UHFFFAOYSA-N	212.402	4.633	0	10	BJAE	
CC(C)=CCCN(Cc1ccccc1)C(C)(C)C	1657740244	WFQZNOQRTKEGCO-UHFFFAOYSA-N	245.410	4.643	0	10	BJAE	
CCCC1CCC(NCC[C@@H](C)CCC)CC1	1663165486	YUKFGZDCANFHFQ-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC(C)(C)C(C)C	1900595706	BKIBAJQSZAYWPN-OAHLLOKOSA-N	227.436	4.602	0	10	BJAE	
CCC(CC)CC[C@](C)(O)CCC=C(C)C	1900694888	CXLBQEIRNDBYGG-OAHLLOKOSA-N	226.404	4.700	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN(C)[C@H](CC)CCC(C)C	1910870368	VSSVXWAJBCZVSQ-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
CC=CCCN[C@@H](c1cccs1)C1CCCC1	1912056369	GHLGNONXSVYHPI-OAHLLOKOSA-N	249.423	4.535	0	10	BJAE	
CNCC1(C2CCCCCC2)CC2(CCCC2)C1	1912568528	RDSMGWMUNQPHIJ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1cccc(NC2CC3(CCCC3)C2)c1Cl	1912721213	SWQZWLONUJBCOD-UHFFFAOYSA-N	249.785	4.783	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCC2(CCCC2)C1	1916424996	ABBHQAWNDFBFET-OAHLLOKOSA-N	243.394	4.774	0	10	BJAE	
CCCC[C@@](O)(CC)c1ccccc1C1CCC1	1919477370	HLJQRBIYPQQUAT-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C1CC(C(C)C)C1	1921276412	FILNBCZUVRXBAJ-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](NCCC)C1CC(CCC)C1	1921278372	LLWUNUGYCPJZJH-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)NC[C@@H]1CCCC12CCC2	1921592859	QOHOFKRRZDEJDS-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC1(C(=O)C[C@H]2C=CCCCC2)CCCCC1	1925808015	TUFBBDNDGKQCQQ-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CN[C@H](CCC[C@H]1C=CCCCC1)C(C)(C)C	1925945803	OBNJEYCXOFMUMB-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cccc(C2CCC2)c1	1926379561	IKLSMIFBRQOUAX-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CCCCCC[C@@H](N)[C@@H](CC(C)C)C(C)C	1936209296	NBPPFNXDGNAPQW-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
CCc1cnc([C@H]2CCCC(C)(C)CC2)s1	1939904116	TYWNONBUYJXPMW-NSHDSACASA-N	237.412	4.779	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C[C@@H](C)CC(C)(C)C	1940789849	GXHPTFWZBNNALR-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](C)(CCC[C@@H]1CC1(C)C)CNC(C)C	1940874990	WJFRADHNGXUTET-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC1(C)C)C(C)(C)CC	1940878762	VKWGUZFXBVRTIO-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](O)CCCC(C)(C)C	1941242777	GLHFJQWLOPUFSE-CABCVRRESA-N	242.447	4.882	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CCC(C)(C)C[C@H]1C	1941358056	YKEMAUZBVWVGKI-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(CN)CCC=CCCC1	1942657640	FPCJFAVKWIIMLB-HZPDHXFCSA-N	237.431	4.524	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](CNC(C)C)CC(C)C	1942658779	PWGXNTFOHQDTFG-CVEARBPZSA-N	241.463	4.719	0	10	BJAE	
CCCCC[C@H](NC)[C@]12CCCC[C@@H]1CCC2	1944136308	MZNNMNSKCILLHD-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H]([C@H]1CCC1(C)C)C(C)(CC)CC	1945742100	JYKUUFJEEQWZRX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1(NCC(C)(C)C2CCCCC2)CCCC1	1946160313	LBJYMGITRRNXRQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCC(C)(C)C1CCCC1	1946164833	NLBYVFOHONTFSL-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC1(O)C[C@@H]2CCCC[C@H]2C1	1946293837	VHSBQKSREPZFKG-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CCCCC12CCC2	1947913535	JQLMQBSETWYTED-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)[C@@H](C)CCC(C)C	1949082081	ZYOIUVYINASLHP-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cccc(C2CC2)c1	1950107232	CBUXKKGAAAOWQJ-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CCC(C)(C)CC[C@H](O)CC12CCC(CC1)C2	1950893847	AOUCQZIYUZYWEP-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)[C@H](NC)[C@@H]1CCCC(C)(C)CC1	1950917202	DOAYQUPAYLKYRK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCC1CC(NCC2CCC3(CC2)CC3)C1	1970868910	XOBQHPMYQPARTB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CN[C@H]2CCCC3(CCCCC3)C2)C1	1972220059	GNKWCGVAHOOBQW-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCC[C@H]1C1CC1	1973479667	RCMXLVMZVGOFDO-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C(C)(C)CCC	1976002639	CUGQHEXDAXYGFZ-KBPBESRZSA-N	227.436	4.747	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1cc(C(F)F)cs1	1977080938	LALDOKDVFWLLFI-SECBINFHSA-N	248.338	4.545	0	10	BJAE	
C[C@H](CC[C@@H](O)c1cccs1)CC(C)(C)C	1980700303	WPOZRRDMCSKYCV-VXGBXAGGSA-N	240.412	4.634	0	10	BJAE	
Clc1ccc(CCC2CC(=C3CC3)C2)cc1	1985536700	LIVOLUGXCRNDGP-UHFFFAOYSA-N	232.754	4.773	0	10	BJAE	
CC[C@H](C)[C@@H](C)Oc1cc(C)c(Cl)cc1C	1989927257	YIBBJFQPPVPLED-JOYOIKCWSA-N	240.774	4.770	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CC)CCCCC	1990094638	XMPIPDWNYVVQCO-LSDHHAIUSA-N	227.436	4.904	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2CC=CCC2)n1	1995444831	PNISNCYSKHVORQ-NWDGAFQWSA-N	235.396	4.555	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@@H]1CC[C@@H](C)C1)C(C)(C)C	1996273019	XMJWIKWDZMVFDQ-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CC1(CNc2ccccc2SC2CC2)CCC1	1996559611	WVUYICPUDWIQLL-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
CCCN[C@@H](c1ccsc1)[C@@]1(C)CC=CCC1	1997546963	RSWRBPFJONEYEY-GJZGRUSLSA-N	249.423	4.535	0	10	BJAE	
CCCN[C@H](c1cccs1)[C@]1(C)CC=CCC1	1997547369	WNLFGORECFQCOY-HUUCEWRRSA-N	249.423	4.535	0	10	BJAE	
CC1(C(=O)C[C@@H]2CCC=CCCC2)CCCC1	1999981530	PCALDPQPXZFHCN-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CC2CCCCC2)C1	2000038789	RTMODYMMRGSCCV-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1(C(C)C)CCC1	2000322721	IEGNJNDTIIIPPN-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)CC1CC=CC1	2000517024	ZBOSLYPNCDTRRX-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@H](CC2(C)CCC2)NCC)CCC1	2001153775	NCBDVGWCVAETES-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCC12CCC2	2001863823	VMUVHSBGLCJXJL-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCCCCN[C@H](C)[C@@H]1CCCC(C)(C)C1	2003007332	PSVOXASBQHBLPS-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@@H](O)[C@]1(C)C=CCCC1)CC(C)(C)C	2003333800	GYWYYYJGGVIOCI-IIAWOOMASA-N	238.415	4.556	0	10	BJAE	
CCC1CC(CC(=O)[C@@H]2CCC[C@H](CC)C2)C1	2007769468	PDPXGTCBRCQPBY-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)C(C)(CC)CC	2007939356	GXXZMORIORYNCC-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1C[C@H]1CCC=CCCC1	2009245357	ZVVXPOZACFWAKI-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
C/C=C/CCC[C@@H](O)[C@H]1CCCC(C)(C)CC1	2009594250	QXGNQTPNLNIRET-SSBHQGKESA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C1=CC[C@@H](C(C)C)CC1	2010720889	PDNCYUXMZQHOTN-LZWOXQAQSA-N	237.431	4.523	0	10	BJAE	
CCN[C@H](CCC[C@H]1C[C@@H]1C)CCC(C)(C)C	2011577197	OVCWEIUVTXWMTO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@@H]1CCC2(CC2)C1	2011646497	IDPZQNQXSKWPPW-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2015188662	SNTYWHALIPZJMM-ZSOGYDGISA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2015191607	LOBCZAACVILTGB-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)[C@H]1CCCC(C)(C)CC1	2015276735	AOSFSRBITYCOEX-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@@H](C)C(C)C)NCC	2015279238	VPLFBRGAWMKSFK-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@@H](C)NCCC(C(C)C)C(C)C	2015361165	QDYZPEKNLQKMBE-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CC(=O)C2(CC)CCCC2)CCC1	2015597167	ARWVJWWAVWZSCY-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(C)=CCC[C@](C)(N)c1ccc(C2CC2)s1	2016118702	ZLFRCHNJZORBIQ-HNNXBMFYSA-N	249.423	4.546	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@H]2CC=CCC2)CCC1	2017126150	XJYNKSDTMFIYRV-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
Cc1cccc(NCC2(C(C)(C)C)CCC2)c1	2017143459	NPJKZUDLDXIQNZ-UHFFFAOYSA-N	231.383	4.623	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC[C@H](O)C2)CC1	2017722870	AGASYOQVPWLTMW-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@H]2C[C@@H](C(C)(C)C)CCC2=O)CC1	2018921529	ODHDLTVXBQNZCH-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)[C@H](C)C(C)C	2019008872	SDBAXQIAZACVII-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@@H]1C[C@@H]1CCC	2022501463	IMRSERYHEWCYTM-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H]1[C@@H](C)CCC[C@H]1CCCCCC(C)C	2023999806	VAXNOTYHJSSHQM-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@H](c1ccccc1)N(C)c1cccc(Cl)c1	2024676341	IWTBVFVNKRHHSL-GFCCVEGCSA-N	245.753	4.537	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1C[C@H]2CCC[C@H]1C2	2026246019	WQAPWPHIQARZLN-SLEUVZQESA-N	249.785	4.639	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@H]1CC2CCC1CC2	2027842062	FIILTCKXQVYVQT-CVSAEHQPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1ccccc1C(C)C	2028239738	HVJWMRNJPQOGAG-RDJZCZTQSA-N	248.410	4.916	0	10	BJAE	
Cc1cc(C)c(NC2CC(C3CCC3)C2)c(C)c1	2029285045	VMTFXJANVWFHBP-UHFFFAOYSA-N	243.394	4.602	0	10	BJAE	
FC1CCC(Nc2ccc3ccccc3c2)CC1	2032145118	TZOVXVQIFSODBB-UHFFFAOYSA-N	243.325	4.532	0	10	BJAE	
O=C(CC1CCCCCC1)CC(C1CC1)C1CC1	2032165447	LHJAIWSFRRUPHD-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCCc1ccc(NC[C@H]2CC[C@H](F)C2)cc1	2032947819	KKLCYYAZQRNMJY-GJZGRUSLSA-N	249.373	4.579	0	10	BJAE	
CCNC[C@@]1([C@H]2CCC2(C)C)CCC=CCCC1	2033570499	KMOOUWMWCDRFSY-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@H]1C[C@@H]1C=CCCC1	2035594512	VRGGNNXJKRIVJA-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CCc1ccc(C(C)C)cc1)NC	2036495568	PWQJRUALUWNMFW-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@]1(N)CC1CC2(CC2)C1	2036724398	LZILKTUQXDOJLL-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](N2CCC3(CCCCCC3)C2)C1	2037678567	LOQDACIANQJRCI-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCNC[C@]1([C@@H]2CC[C@H](C)C2)CCC=CCCC1	2037697560	HUUFEQMJYKJNNK-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CCNc3ccccc32)C1	2037698712	PKIDGTXDKHUCED-UONOGXRCSA-N	243.394	4.802	0	10	BJAE	
N[C@H](CC[C@@H]1CC[C@H]2C[C@@H]2C1)CC1CCCCC1	2038168389	YWUWKDOCYGRRJS-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc([C@H](O)[C@@H]2CCC[C@H](C)CC2)c1	2039364253	WKSARPIWASWFHK-XGWLTEMNSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2[C@H]3CCC[C@H]32)CC1	2039387554	XOQWKMSABCTJPF-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)[C@@H]2CC=CCC2)cc1	2042092434	WISYSNLSOVXKIC-CYBMUJFWSA-N	242.362	4.523	0	10	BJAE	
Cc1cc(C)cc([C@H](O)[C@H]2CCCC(C)(C)C2)c1	2045369097	ZFEOVSVJSIPCQC-GOEBONIOSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CC23CCCC3)C1	2047056539	UKGRZAKSAALYBC-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCNC[C@@]1(CCC2CCCC2)CCC12CCC2	2047944347	XVPHRPXXMGXOPV-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](C1CC1)C1CCC2(CCCCC2)CC1	2048126941	GBPOSJHLEVQFEO-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC1CC([C@]2(N)CCCC3(CCCCC3)C2)C1	2048632564	BAMYXHPUSNMWEE-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc([C@@H](N)CC2(C)CCCC2)cc1	2049803566	BWGYYPMEMDHCQH-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CCCNCC1(C[C@@H]2CCCC3(CC3)C2)CCC1	2049847614	CMIQWMWDLKOKRW-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](NC)[C@@]1(C)C=CCCC1	2049998703	XEMCVICRHJYLJO-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](O)CC[C@@H](C)CC(C)(C)C)cc1	2050426081	MNJYARJCGCUUKT-ZBFHGGJFSA-N	248.410	4.881	0	10	BJAE	
CCC[C@@H](C)CC[C@@H](NCC)c1ccc(C)cc1	2050431561	RLHRSKIANICJBW-RHSMWYFYSA-N	247.426	4.862	0	10	BJAE	
C1CCC(CCCNCC2(C3CCC3)CC2)CC1	2051905871	PHEGVKSNXRBYOF-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(CCN[C@@H]2CCC[C@H]3CC[C@H]32)CCCCC1	2052276875	LBDWIUIPPANPFZ-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCC[C@@H]3CC[C@H]32)CC1	2052288707	PHTHJYFDJNNNRW-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CC2)C1CCCCCC1	2053316687	VYSMVUQBUYBQTE-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC1CCC(C[C@]2(CN)CCCCC23CC3)CC1	2053410228	JTQISJHMAFXDIY-DQPZFDDXSA-N	249.442	4.502	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2CCCCC23CCC3)CCCC1	2053410244	DPUAAZGENCDFFI-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CCCC[C@@H]1F	2055157542	AGLGTGBHVNQBMH-DZGCQCFKSA-N	249.373	4.677	0	10	BJAE	
CCc1cccc(CC)c1N[C@H]1CCCC[C@@H]1F	2055159826	OBCBAHGQYCYKEI-GJZGRUSLSA-N	249.373	4.504	0	10	BJAE	
CC1(C)CCC(C)(C)C1Nc1ccc(CF)cc1	2055669545	LWVZMBBOWCNZNZ-UHFFFAOYSA-N	249.373	4.783	0	10	BJAE	
CC1(CNCCC2CCCC2)CCC2(CC1)CC2	2056536366	CHVWUNKFAFPAEH-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC1(CC)CC(NC[C@H]2CC(C)=C[C@@H](C)C2)C1	2058865272	KPNCBWHCDMCFSJ-UKRRQHHQSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H](NC)C(C1CCC1)C1CCC1	2059225473	NPNSAIQPSSQETL-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCCC[C@H](NCC)c1ccccc1F	2059246828	IGBWYKCDIGGYQI-WMHVBEDNSA-N	249.373	4.613	0	10	BJAE	
C[C@@H]1CC=C([C@](C)(N)[C@H]2CCCC(C)(C)C2)CC1	2060912920	HXRHGPQRDOUBBF-KMFMINBZSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@]2(N)C=CCCCC2)CC1	2061112932	KFLUNAYUZNOVAX-RHSMWYFYSA-N	247.426	4.587	0	10	BJAE	
CN[C@H](CC[C@]12CCC[C@H]1C2)CC1CCCCC1	2061573152	VXZYLGZIZNSTGB-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NCCC[C@@H]1C[C@@H]1C)c1ccccc1	2062604742	WWZXBGVSZHRJKN-UAGQMJEPSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)c1cccc(C2CC2)c1	2062631920	USBKKCSWMYQPQD-JSGCOSHPSA-N	242.362	4.573	0	10	BJAE	
CCCC1(C(=O)CC2C[C@H]3CCC[C@@H]3C2)CCC1	2063421159	ZNLSGSGIACAJOS-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CCC(NC2CC3(C2)CC3(C)C)CC1	2064110196	YPGKXOOBVSOALH-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCNCCC23CCC(CC2)CC3)C1	2065256930	HESOJPLCDYSBRZ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@@H]2CCCC[C@@H]2C1)C1(C)CCCC1	2067518660	YTBZUYRYFWNPDR-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C[C@]2(CN)CCCC23CCC3)CCC1	2069344119	HOXATXCQHWZRAU-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
C[C@H](C[C@@]1(N)CC[C@@H]1C1CCC1)C1CCCCC1	2071788230	TXQWFFKMVJBIHT-XYPHTWIQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC[C@@H]1C1CC1	2071835340	ZPRIUGRGWDNCKQ-BRWVUGGUSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CC[C@@H]1C1CC1	2071835343	ZPRIUGRGWDNCKQ-ZACQAIPSSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1(C[C@@H]2CCNc3ccccc32)CCC1	2071945286	FHOOIOPHRLLDFN-AWEZNQCLSA-N	243.394	4.802	0	10	BJAE	
CC[C@H]1CC[C@H](C=C2CCN[C@@H]2C(C)(C)C)CC1	2072815205	KBQYDLZRICQNSD-DZKIICNBSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)NCCC=Cc1ccccc1	2073284946	HKFFRUZYNKNQTH-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@@]23CCCC[C@@H]2C3)C1	2074027944	DOSRFOZYJWQOBP-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@](N)(CC)c2ccc(C)cc2)CC1	2074629988	VAVAKKUJIGFFHU-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CC=C(CC)[C@@H](NCC)c1ccccc1CCC	2077194335	INUODGXNZTUEDF-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC[C@H](N[C@H]1C[C@@H]1C1CCCCCC1)C1CCC1	2079533375	WNISUWPZKPZDJN-IKGGRYGDSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CN(C)CCCCCCC1CC1	2213534606	KSNGRTZAIRTGJE-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@H](O)CCCCCCC2CC2)C1	2213581018	RPDPVNJJOJZNLA-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CCCCC1CC1)NC	2214568095	FPWHNQVIKXTVSI-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CC(=O)CC2(C)CC(C)(C)C2)C1	2215440177	OWSBHPHTGKMPCC-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)N(CC)CCCCCCCC1CC1	2216860912	RUKOKSCMZBDQTG-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCCCC1(CN[C@@H](C)CC)CCC=CCC1	2217125172	NGOFBZMUKKXEON-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)NCC1(C[C@H](C)C(C)(C)C)CCC1	2217125898	BPBYVXPZAJLEPY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1(CC2(N)CC(CC3CC3)C2)CCC1	2218480074	LPRIAZQKZPBPMQ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C1[C@@H]2CCCC[C@@H]12	2218724042	FHONAKCDGBOBHX-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(CCCCC1CC1)c1ccccc1	2220045503	NYVQJXXIFWSDGW-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
CC1(C[C@@H]2CCCC(C)(C)[C@@H]2N)CC2(CCC2)C1	2221025068	HUEHMEVLBHYZMP-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(N[C@H]2CCC3(CCCC3)C2)CC1	2221601635	OEZRFRIKIDGIIX-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CCC[C@H](NC[C@@H]1CC=C(C)CC1)C1CCCC1	2221663196	JXJRBEXMRFOYGU-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@@H]2CC23CCCC3)C1	2222255068	FAKJKTLCIXMSDQ-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
C(CCCN[C@@H]1C[C@H]2CC[C@H]1C2)CCCC1CC1	2223106625	UIQYHJFEDYRWPN-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CCC2(C)C)C=CCCC1	2223574821	XAXHGPJZCCIBST-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)C1(CNC2CCC2)CC=CC1	2223588942	KOHCXLDXWLBKIW-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)c1ccsc1C	2244779506	DGMHOPAROXBOEF-TZMCWYRMSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](CC)CNc1ccccc1SC	2244799499	HIWZHZIHRNXVHN-LBPRGKRZSA-N	237.412	4.647	0	10	BJAE	
Cc1cccn1CC[C@H](C)CCCC(C)C	2244847806	SXKXOQSREHDZLQ-CQSZACIVSA-N	221.388	4.649	0	10	BJAE	
CCC[C@H](C)C(=O)CC[C@@H]1CCCCC12CC2	2246605238	CTQRCRPCJCBSOR-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@](C)(O)CC[C@@H]1CCCC12CC2	2247653040	ZJVJRVHMHIVWPX-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)CCCCC[C@@H]1C[C@@H]1C	2248819298	IYTOYOXVCIYHFG-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNCCCC(C)(C)C	2248865383	ITKHIZFUGOFGEJ-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H]1CC[C@H](C)CC1)NC	2250369151	FRNBGVXKDSDYET-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@]12CCC[C@@H]1CC2	2251182651	WACZKJRHGHXNMQ-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CCC(F)F)C(C)C	2253253037	JMJRAXRGEVQCAQ-STQMWFEESA-N	249.389	4.615	0	10	BJAE	
CC[C@@H]1CCCCN1CC[C@H]1CCCCC12CC2	2253852538	JVBZRJAMUHMLTI-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
C[C@H](C(=O)CCCC[C@@H]1C[C@@H]1C)c1ccccc1	2254603832	FELJZFUNQVFFLZ-OFQRWUPVSA-N	244.378	4.576	0	10	BJAE	
C[C@@H]([C@H]1CCC[C@@H](C)C1)N(C)CC1=CCCCC1	2255060191	YBEYKKMFSOLZDS-VYDXJSESSA-N	249.442	4.633	0	10	BJAE	
CCN[C@H]1C[C@@H](CC2=CCCCC2)CC(C)(C)C1	2255138050	SPSLDMUEBSOEBV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)C[C@@H]1CCCC12CC2	2255223051	FTBYCQDOWKEBDF-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@H](N)CC[C@@H]2CCCC23CC3)CC1	2255264891	XBDUYHBUEZKZIW-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNCC[C@@H]1CC=CCC1	2257318928	GHQDVJPNDGQYLQ-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H](C)CC2)cc(C)c1C	2258233828	AAUHIRZHUAALGN-BLLLJJGKSA-N	245.410	4.993	0	10	BJAE	
CC1CC2(C1)CC(CC1(CN)CCCCCC1)C2	2259552118	PWIQOLRYIAXXIQ-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC1(C[C@H](N)[C@]23CCCC[C@H]2CC3)CCCCC1	2260509191	UFSIHSFLSVFVIC-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCN(C[C@]12CCCC[C@@H]1CC2)C1CCCCC1	2260564867	IRWHMFLBLFIMBR-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CCC1CC(CC(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2260627417	UYDVQCGWNINLEK-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)[C@H]1CCC[C@@H](C)CC1	2298864959	LFSXNNUKOSOQRI-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC1CCC1)[C@](C)(N)C1(C)CCCCC1	2298921452	VBKFUYMMLZJUNC-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@](C)(CC)C(F)F	2299828218	HYJBGORNSHNDMK-TZMCWYRMSA-N	249.389	4.616	0	10	BJAE	
CCCC1(NCC=C(C)CCCC(C)C)CC1	2300865143	JVWRRCGBPYZFGD-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CCc1cc(C(F)(F)F)ccc1C	2300930356	YVHXEPHGWKZWHC-UHFFFAOYSA-N	242.284	4.913	0	10	BJAE	
CCCC(CCC)[C@H](O)CC1CCCCCC1	2301134538	ZBCJGDHXUMPNNC-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@](C)(O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301136025	RUMWZLBOVIHSLR-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)[C@](N)(CC2CCCCCC2)CCC1	2301137939	OWJQHBABBDGFSR-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)CNCC[C@H](C)CC1CCCCCC1	2301236062	JEUYHPPBIWGQAE-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(=O)CC(C)(C)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301242814	WGKAIZGTHQBZKY-KKUMJFAQSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303454245	LERYQQJGWHFRRF-DZGCQCFKSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)C[C@@H]1CCC(C)=C(C)C1	2303602472	VYTZZUAGXNAMSM-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CC(C)CC[C@@](C)(N)CC[C@H]1CCC(C)(C)C1	2304434566	JYHYXGXPUCXQOL-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC=CCCCc1ccc(CC(F)(F)F)cc1	2307625311	HXSSNHFIWUHPFJ-UHFFFAOYSA-N	242.284	4.690	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(CC2CC2)CCC1	2307763036	IBTJABLNAVGGDH-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC(O)(C[C@H](CC)CCC)CC1	2307843391	KZTNCGUVFCHZNT-QQFBHYJXSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)C1CC(CC)C1	2307905471	XFMJLFBTBYVWFA-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@H](CC)CCC)[C@H]1C	2307910142	XJRJPWQMAXYTMQ-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1C[C@@H]2CC[C@H]1C2	2308583587	MSLFRXXHZDXZQW-QZWWFDLISA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1C[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2311609074	KHMQOHHXCJCFSC-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](NC[C@@]23CCCC[C@@H]2CC3)CC1	2313313596	DFQFUCHGDQVNPY-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CCN[C@H]1CCCCC12CCCCC2	2316493516	YLCWRMQXEVFKEB-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1c(C)oc(C)c1C	2316541034	YFPTXISULBYBFQ-HNNXBMFYSA-N	249.398	4.602	0	10	BJAE	
CC(=CCC(=O)C1[C@@H]2CCC[C@@H]12)CCCC(C)C	2316560818	UETJMBXMAZOUEP-HUUCEWRRSA-N	248.410	4.764	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@@H]2[C@@H](C)C[C@H]2C)cc1	2316714094	CZTXRFIMUDJEON-QDEZUTFSSA-N	245.410	4.505	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CCC[C@H]1CC2)[C@@H]1C=CCCC1	2316879846	HDBMIQCLUWWWTH-CAOSSQGBSA-N	246.394	4.518	0	10	BJAE	
N[C@H](C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCCC1	2316886918	ZDHCZBCZKWNCFJ-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCCC1	2316945574	NZNJRFQTDVFBIG-YQFWSFKMSA-N	249.442	4.514	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CC2CCCCCC2)C1	2317006683	HQUYBHYHGSQVOZ-XJKSGUPXSA-N	248.410	4.908	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1C[C@@H]2CC[C@H]1C2	2317936772	QQNAUEHGRXXYOR-OWCLPIDISA-N	246.394	4.662	0	10	BJAE	
C[C@H]1[C@@H](Nc2cccc(C3CCC3)c2)CC1(C)C	2318256120	UHRDKNYQBOCAON-LRDDRELGSA-N	243.394	4.801	0	10	BJAE	
CCCCCCc1ccc([C@H](CC)NCC)cc1	2318364584	NXLDWPLAZYFKSI-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
O=C(CC=Cc1ccccc1)CCCCC1CC1	2318876844	KBNAVBIEZGGEKN-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
C[C@H](C[C@@H]1CC[C@H]1C(C)(C)C)c1ccc(N)cc1	2320245455	AQBAOHQREPTSHD-IVMMDQJWSA-N	245.410	4.835	0	10	BJAE	
Cc1cccc(NC[C@H]2CC[C@@H]2C(C)(C)C)c1C	2320319136	DLBKMGOPVYJESO-CABCVRRESA-N	245.410	4.788	0	10	BJAE	
CC1=C(C)C[C@H](NC[C@@H]2CCCC(C)(C)C2)CC1	2320411585	KNHIZOPVMLBWJN-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)C(C)(C)C1CC1	2320412737	PJHZIPGIABTXGU-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H]2C[C@H](C(C)(C)C)C2)CC1	2320425228	VZBJXJDOQUGDGO-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1cc(C)ccc1C(C)C	2327789549	KROZBHSTLGZXSC-ZFWWWQNUSA-N	244.378	4.737	0	10	BJAE	
CCC[C@H](CC)CN1CCCc2cc(C)ccc21	2328101146	HHSDAVQOLSTFMH-HNNXBMFYSA-N	245.410	4.574	0	10	BJAE	
C/C=C(\Sc1ccccc1)c1ccccc1	5282663	LFUACLHVAZJSHV-LXOGZNDWSA-N	226.344	4.840	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(F)cc1C	20546110	AJFHRUZQXJHXST-GFCCVEGCSA-N	223.335	4.515	0	10	BJAE	
CCC(CC)[C@H](N[C@@H](C)C(C)C)c1ccccc1	37107776	WQWRZXRCVXXLLG-YOEHRIQHSA-N	247.426	4.798	0	10	BJAE	
CC[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)C(C)C	37295345	FBRNQOHDMNQYEA-WMLDXEAASA-N	247.426	4.895	0	10	BJAE	
CCCCCCC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	69405073	RBJYQOSNGAUHMI-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CCC)C(C)(C)C	71083941	PXLYRPSHIAGCGJ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccccc1NCCC(C)(C)C	71085612	CJLJSXFWLDZKRD-UHFFFAOYSA-N	219.372	4.658	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCCC(C)(C)C1	79978847	WXHUNLYJRPPDTC-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@H](NCC)C1CC1	80419929	MCGOAAXJKMBKAJ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@H](C)[C@H](C)C1	84992402	GZGQNWHBKSBZIT-FZKCQIBNSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@H](CC)[C@@H]1C	86083899	AZCBTGGQQYPSNW-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](c1cc(C)oc1C)C1(C)CCCC1	94900947	JLKHYZNDUMJSSB-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1ccc(C(C)C)cc1	112885157	CAANNNFANYIQGF-CZUORRHYSA-N	234.383	4.670	0	10	BJAE	
CC(C)=CCC[C@@H](C)c1ccc(O)cc1C	139157188	SOOQJPLXUPKVIY-GFCCVEGCSA-N	218.340	4.551	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)CC1CCCCC1	163363392	PTTBZAXGORCMRO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(CNCC)C(C)C	164335595	RKHQUIQGUAKLJV-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCC(C)(C)C(=O)C[C@@H]1CCCc2ccccc21	164367853	HXSUWSZWYGNGGM-AWEZNQCLSA-N	244.378	4.502	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccc(C)c(Cl)c1	168042802	GPEKMTMMHGJMBW-JTQLQIEISA-N	238.758	4.657	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CC[C@@H](C)[C@@H](C)C1	220757351	GZGQNWHBKSBZIT-QXSJWSMHSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)c2ccc(C)cc2C)C1	227389977	ODDHXPLOIKFULP-ZMSDIMECSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)CCC1CCCC1	228681300	YUKMICWOELBLPZ-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C(C)C)C2)cc1F	230986264	SPFWYPFCLYNPJG-KBPBESRZSA-N	249.373	4.761	0	10	BJAE	
CC(C)C[C@H]1CNc2ccc(C(C)(C)C)cc21	232634194	QDCABVCPVRORPB-LBPRGKRZSA-N	231.383	4.539	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)[C@@H](C)CCC	232988273	ORRPILADHFHICM-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)NC(CCC)CCC	238797794	IYHRIPAOKPATJP-ZDUSSCGKSA-N	213.409	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@H](C)C[C@H]1C	252029268	YYEWKYAUMFADIS-ARKGTOAJSA-N	239.447	4.616	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C[C@H](C)CC(C)C	302326583	KHOONTJNTVHWQJ-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CSc1cc2cc(C)c(Cl)cc2s1	307491060	GEJDFEXNPUBEOH-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CC1(C)CCCC1	308031636	OSJLBVRFKKXHIP-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCCC[C@@H](O)C2)CC1	310421925	OFJNGXVHDJPKGS-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CNCC)C[C@@H](C)C1CCCCC1	310496409	PULDXJWSFFYBIU-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CC3CCC2CC3)CC1	310924787	BAHFOJBSEZSMKS-AXJCJWBSSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)NC[C@]1(C2CCCCC2)CC=CCC1	317406317	CRYRETUIHLFEBS-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CCC(N)([C@H](C)CC(C)C)CC1	379956782	KCOBWGUFTUBJBO-QQFBHYJXSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1C[C@@H](C)c2ccccc21	381169552	KKCLLAXZJYHAPE-JKIFEVAISA-N	245.410	4.793	0	10	BJAE	
C1=C(CCN[C@@H]2CCCC23CCCC3)CCCC1	385683738	CWXWDRUAVCVTOA-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1N[C@H](C)CCC(C)(C)C	386298273	VBJOOVJAJHDFFI-BARDWOONSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H]([C@H]1CC[C@H](CC)CC1)C(C)(C)C	392974953	WSHGBKAPZLMAED-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)CCC1CCCC1)c1ccccc1	395164703	OQKXZMMCCNZGSY-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
CCc1ccc(C)c2scc(C(F)F)c12	396222528	NOFDMJCZHWJERA-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
Cc1c(S)cc2sccc2c1C(F)(F)F	396294397	FIRUSWNZHQRPFN-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCc1cccc(C)c1N[C@H](CC)[C@H]1CC1(C)C	397628056	NGHOZEKQAODPQF-HUUCEWRRSA-N	245.410	4.794	0	10	BJAE	
C[C@H](NC1CCC2(CCCC2)CC1)[C@@H]1CC1(C)C	397690276	MUJIASKHJBUYIF-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@@H](C)C1CCC1	398674883	UOXHDYWNDWPMSV-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@H](C)C(C)(C)C	399137123	XLVGTWZBJXLEEH-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@@H](O)C[C@@H](C)C2CCCCC2)CCC1	687586732	RTNJHDQVEFXSDD-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCSc1cccc(N[C@H]2CCC(C)(C)C2)c1	689702897	CEVADHZNWLCKFN-ZDUSSCGKSA-N	249.423	4.789	0	10	BJAE	
C[C@H]1CCC[C@H](CNc2ccc(C3CC3)cc2)C1	690101596	GCRRQPQXSIQGLM-KBPBESRZSA-N	243.394	4.802	0	10	BJAE	
CCc1cc(C)cc(CC)c1NCC1CCCC1	690189428	QGHDDSYUASXGAD-UHFFFAOYSA-N	245.410	4.722	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC[C@@H]2C)cc1C	691076829	YAHCXNPBWDRAKR-XJKSGUPXSA-N	231.383	4.684	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H]1CCCC(C)(C)C1	695056210	VUAJYMZFKQNPGV-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](O)CCC(C)(C)CC	696598678	MSWWPEGAHPPXEH-JKSUJKDBSA-N	248.410	4.758	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)CC)CC[C@@H](C)C1	696804363	YGEKGEJXGSKUID-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CCCC[C@@H]1C	697759768	UIJAWCDPTGPYPM-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](Nc1ccccc1C(C)C)C(F)(F)F	702895977	AZXOILVMFYBYAF-GFCCVEGCSA-N	245.288	4.563	0	10	BJAE	
CC(C)=CCC[C@@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	704623161	HGBZRPOKYLTCOE-IIAWOOMASA-N	237.431	4.523	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@H]1CCCC[C@@H]1C	704806095	ZHCLIHUSSWWHAL-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CC(C)=CCC[C@H](O)C1(CC(C)C)CCCC1	704812759	WLKNSHYXNTUPJR-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
CCc1ccccc1OC[C@H](C)CC(C)(C)C	709112536	PYGQSDNJKIMXCM-CYBMUJFWSA-N	234.383	4.700	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@H](C)CC(C)C)cc1	709129511	UGCZTUGBBLBCRR-CQSZACIVSA-N	246.394	4.750	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1ccc(C)c(F)c1	718526332	LMDPDSCRXSFJIS-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC(C)=C(C)CCCc1cccc(F)c1	718748962	AEPSETMGMBJANL-UHFFFAOYSA-N	206.304	4.505	0	10	BJAE	
CC(C)=C(C)CCCCc1ccccc1	718749061	AMZKBDYXAFQHJM-UHFFFAOYSA-N	202.341	4.756	0	10	BJAE	
CCCCC[C@@]1(CNCC)CCC=CCCC1	719090051	QFJBIGKEUQQZBW-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@H](CC)CC1CCCCC1	720941854	XZCIJWOQXGODOV-SQWLQELKSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@@H]2C[C@H]2CC)CC1	723080562	ZRIZOWODESVLQH-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)CCC=C(C)C)C1	1205889454	HGRCIRQIODRCFN-BZUAXINKSA-N	237.431	4.680	0	10	BJAE	
C[C@@H]1CC[C@H](NC2CCC3(CCC3)CC2)C[C@H]1C	1656064461	YEASFUWQQZCHEO-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCNc1cc(C2CC2)ccc1Cl	1900702630	JJVYPCVDLSWZRT-UHFFFAOYSA-N	235.758	4.596	0	10	BJAE	
CCN[C@@H](CC)CCCC1CCCCCC1	1901062458	BZDAIARGQQRIJZ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
Cc1cc(-c2ccccc2C2CCC2)cs1	1901897554	XOPILDYZAXZMQV-UHFFFAOYSA-N	228.360	4.991	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(O)CCCCC1(C)C	1905390794	OYSACMMBQRRWOY-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)CCCC(C)C	1905452038	BHLPHXYVZPOQNX-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(F)c(C)c1	1911945227	BRRJAKCBGJPYBL-NSHDSACASA-N	206.304	4.594	0	10	BJAE	
CCCN[C@H](C1CCC1)C1CC2(CCCCC2)C1	1912627695	CYNFLIPNEKVZSI-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(-c2nc(C(C)C)cs2)cc1C	1912996847	PYAIYSGZVGXCHF-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
CCCNC[C@@]1(CC2(C)CCCC2)C=CCCC1	1916570178	XOFBBGXBGRXBPI-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC(C)C[C@H](C)[C@](N)(CC(C)C)c1ccccc1	1920484096	LCZULPKCVVFJJH-DOTOQJQBSA-N	247.426	4.569	0	10	BJAE	
CCCCCCC1(CNCCC)CC(CC)C1	1921187722	QUQADLVFSBWYAQ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC1CC(C(=O)CCC2CCCCC2)C1	1921279108	ZROYWTMUKYZSCL-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
Fc1ccc2c(ccn2C[C@H]2C=CCCCC2)c1	1925793276	KJKLILDYNVNVCZ-ZDUSSCGKSA-N	243.325	4.527	0	10	BJAE	
CCC(CC)C[C@H](CC1CCC(C)CC1)NC	1926372804	VUTLTCWBWADNJN-AVVWSFFYSA-N	239.447	4.617	0	10	BJAE	
Cc1cscc1N[C@@H](C)[C@@H](C)CC(C)C	1933235292	FWOYARFZMLEUNE-JQWIXIFHSA-N	225.401	4.539	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](CC)C(C)C)s1	1936210481	YIMZBNNRALBHMW-LBPRGKRZSA-N	238.396	4.566	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)[C@@H](C)CCC	1940864498	PWEXICRATFXEJO-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)CCCC1(C)CC1	1940882563	QPUXADITCWZHLE-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CNCC(C)C)[C@H](C)CCC(C)C	1942658837	QIAVEOGIHPFIDL-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C(C)(C)C1CCCCC1	1944664138	AIWPVVKBFGFIFW-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CCSc1ccccc1NC[C@H]1CCC[C@@H]1C	1944961943	CQRVMXCDQUPBOX-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@@H]1CCCC2(CCCC2)C1	1946455932	RFTFSMYAMJEXOJ-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)[C@@H]1CCCC[C@H]1CC	1947515424	MBUKYGMDQTWJSP-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC[C@H]1C(C)C	1947524266	MPCLLEMUWYFBLU-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](NC1CCCCCCCCC1)C1CC1	1947878043	DFSARSYJBIIWKB-INIZCTEOSA-N	237.431	4.658	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)[C@H](C)CC(C)C	1948327338	OIMSSCLZGBFQJM-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H]1C[C@@H](CC(C)(C)C)CCC1(C)C	1949662679	RGBHJQICDQKGKF-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)CC1CC2(CCC2)C1)C(C)(C)C	1949733398	JTFMZGRVJGCFOL-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CC1CC1)NCCCCCCC(C)C	1950100260	LXKVTGCHCNHGMJ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)[C@@H]1CCCC(C)(C)CC1	1950913133	DWOSISPXPNNMNF-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CN)CCCC(C)(C)CC1	1950920156	SMIRQOJLGXPBKN-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CC(C3CCC3)C2)CC1	1966048682	OFQSMDVGJJUBAX-AKBUMOGYSA-N	249.442	4.514	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1NC1CCCCCCC1	1967719473	GWRDVGPNNRZSAD-OFQRWUPVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@H]1CCCC2(CCCC2)C1	1967855213	HUCZZYDIYCFEDO-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(F)c(Cl)c1	1989823782	JEBHPYXLUMHYIO-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CC[C@@H](C)C1)C1CCCC1	1996249542	GLNQYKFFEJEDJO-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CNC(C)(C)C)C1CCC(C)(C)CC1	1996594560	NRGKHXLDBZYGHR-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@](C)(N)C2CCCCCC2)CC1	1996595793	YPIVSZBVEGMVJL-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(NCC23CCC(CC2)C3)cc1Cl	1997006871	XKNBRSUATKFCCG-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
CCCC[C@H](NCC)[C@@H]1CCC[C@H](CC)CC1	1997106211	SDTGBDBXPORFOK-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@]1(C)CC=CCC1	1997544448	RNZRMDDDKFJIMB-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@H]1CC=CCC1	1997547391	WRVYKQJBPIWXII-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(=O)C1(C)CC=CC1)C1CCCCC1	1997602588	VDAOYDZVLCJUFD-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC(N)(CC2CCCCC2)CC1(C)C	1997768777	WQYDRRCFZLVCLP-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1CC(C(C)(C)C)C1	1998234940	OURQHSAKOWMBJH-HSBZDZAISA-N	238.415	4.700	0	10	BJAE	
CC(C)CCCCCNC1CC(C(C)(C)C)C1	1998251755	FUHOZOKOUGIEEA-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CC2CCCCC2)C1	2000038792	RTMODYMMRGSCCV-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@H]1CC12CCCCC2	2001254542	JYIAXVNAYKHBAO-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](C)(O)C[C@@]1(C)CCCCC1(F)F	2002585222	AFUOFCKKZUNOEM-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCCC1CCC([C@@H](C)[C@H](O)CC(C)C)CC1	2002924545	JHWGCLYEXYXEPJ-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(O)[C@H]1CCC[C@@H](C)C1	2003017756	SZALFTIGGGMOGT-UGUYLWEFSA-N	240.431	4.636	0	10	BJAE	
CCC1(C)CCC(O)([C@@H]2CCC[C@H](C)C2)CC1	2004339133	LQAIAHBDKOARCA-QRNKSROTSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC)CCCN(C2CCCCC2)CC1	2004339314	NUFYWRXZGFSTIM-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC(C)C)CCCCC1(C)C	2005598532	WCCZMJDRCFJHTM-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@H]2CC(=O)C[C@@H](CC)C2)CC1	2006674881	WEYYHMMABJCWRJ-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@H](NCC)c1cc2ccccc2s1	2007862499	PSFSYEJYMSXWGF-HNNXBMFYSA-N	245.391	4.518	0	10	BJAE	
Cc1c(Cl)cccc1[C@@H](N)C=C1CCCCC1	2007938627	ZTMYEPHHPBRUPN-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CCC(C)(C)C1	2009612551	XEKCJQQOYSIWAA-ZWXLGZMVSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H]1CCCCC[C@@H]1NCCC	2009616099	FZXJWNQNBXFEHP-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H](CC)CC(C)C	2009619679	NSMBTMPMIVKDST-VKFONMJVSA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1(C)CC(C)(C)C1	2009619948	PVBOXTSXFONTDJ-OWNNVSBGSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H]1CCCCCCC[C@@H]1NC	2009628340	NEYBFZYLHMNLBV-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H](CC)C(C)(C)C)NC	2009635135	LJSTYGDENKSKAX-VIGJRRFGSA-N	239.447	4.783	0	10	BJAE	
CCCC(CCC)[C@@H](O)C1=CC[C@H](CC)CC1	2010713803	OGTMXDNQOSSGRP-XJKSGUPXSA-N	238.415	4.700	0	10	BJAE	
CC[C@](O)(C1=CC[C@@H](C(C)(C)C)CC1)C(C)C	2010723795	WQJQWPOCIGDXMV-CZUORRHYSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011982516	KPPCYEWKGCBAJA-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@]1(CCCC(C)(C)C)CCC1(C)C	2014851494	BFBFINMCLZXYAS-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)CCCCCC1CC1	2014872586	MJRQVUPNTSQEEC-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCCC2(C)C)CCC1	2015639780	KHFGNMDXPLXFDA-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CC1CCC(C)CC1	2016150414	UBUKKGVVLUHQPO-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)C1CC=CC1	2016346932	WAKVALIKPHVPRT-CYBMUJFWSA-N	229.367	4.577	0	10	BJAE	
CN[C@H](CCCCCC(C)C)C(C)(C)CCF	2016768244	NRASDFYHMAINJE-CQSZACIVSA-N	245.426	4.567	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@H]1CCCC(C)(C)CC1	2017473572	VFVURZFPEORCRB-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1CCC(F)CC1	2018130607	OYILJHSYORFBNB-NRXISQOPSA-N	244.394	4.626	0	10	BJAE	
CCCC[C@H](CC)N(C)CC1(C)CCCCC1	2018182189	FGDQCWFTLUEDGP-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCC1(C[C@@H](N)[C@@H]2CCCC(C)(C)CC2)CC1	2018991370	JTWJBYISOPHJFE-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C[C@@](O)(CCC1=CCCCC1)C1CCCCC1	2019780330	QLRIDLVISFXNJF-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCCc1ccc(-c2cc(=S)cc[nH]2)cc1	2021482438	IDNCPQIPFXYIQI-UHFFFAOYSA-N	243.375	4.754	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C1CCCCCCC1	2022560038	LHDYENLIHULRQH-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C(C)(C)C2CC2)C1	2024100817	FZIXFIKVMJKYTP-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](O)CCC2(C)CC2)C1	2024121231	CFWGYVUADOWSRF-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CCC[C@@H](C)C1	2026083113	XVQVDQAVBMEQMO-RRFJBIMHSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)NC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	2026939918	KKKCSRBAFFCEHD-JOHJCKIYSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCC=C(C)C)c1ccccc1C(C)C	2027518682	UREGPNOGFGPSIQ-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CCC[C@H](c1nc2c([nH]1)[C@H](C)[C@@H](C)CC2)C(C)C	2028264119	OICPDVZMRSCKJB-XQQFMLRXSA-N	248.414	4.635	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](O)c1cccc(C2CC2)c1	2028561186	XXIYQDZMSCNBHQ-KRWDZBQOSA-N	246.394	4.526	0	10	BJAE	
C=CC=CCCC(=O)c1ccccc1CC(C)C	2028926312	HDQBQEJRURFHFG-UHFFFAOYSA-N	242.362	4.590	0	10	BJAE	
CN[C@H](C1=CCCCCC1)C1C[C@H](C)C[C@@H](C)C1	2030243639	YHHFUKVTBCRZBQ-CKEIUWERSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)c1ccc(C(C)C)cc1	2035425705	ACARVMVSVRLNCZ-NVXWUHKLSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@]1(N)CCCCC12CCC2	2035926905	RQBSLHYXPHFMJE-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC(C)NC[C@@]1(C2CCCCC2)CC12CCCC2	2036101915	VZAIPTZCMDIFTN-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)[C@H]1CCC2(CCCC2)C1	2037672889	QSRBFMYMEYNCQA-AWEZNQCLSA-N	242.362	4.538	0	10	BJAE	
CCN([C@H]1CCC2(CCCC2)C1)[C@@H](C)C1CCC1	2037684087	XILGZMFMMJPHFW-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CC1CC2(CCC2)C1	2038084570	BDQBPGQEMXXBOA-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@H]1C=CCC1)CC1CCCCC1	2038164648	HTAFPDJZXIHXAN-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@H](C)CCC1CC1)C2	2038932716	HIOGKLAJIFXIKB-FBZFNHGYSA-N	249.442	4.514	0	10	BJAE	
CC1(CCNC[C@@H]2CC23CCCCC3)CCCC1	2039058295	LWIXTQBSQTYGOP-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)C23CCC(CC2)C3(C)C)C1	2040145402	IXVAVHIWAWDHKR-GXZXJKLZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC[C@@H]2CC=CCC2)CC1	2041385453	BQBNIRYKHQZMIP-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@@]1(C)CC=CCC1	2042027249	LJRKEPNGKOPXRL-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCC2(CCC2)C1)C1CCCCC1	2043612038	LUVLCACNQYCUOC-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCN(C[C@@H]2CCC=CCCC2)C1	2045304146	BLKKDSABYPMHQL-IAGOWNOFSA-N	249.442	4.635	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)[C@H]1CCC[C@@H]1C	2045321582	WZDADBYVTCDILT-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](N2CCCCC3(CCC3)C2)C1	2045519676	KDVKPHXOZDCANI-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C[C@@H](C)c1ccccc1	2045557279	MPBYBVRDKNVLJG-HUUCEWRRSA-N	246.394	4.822	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@@H]1CC12CCCCC2	2047007126	GCXAPJZUONVFGY-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1CCCC1)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047413671	SHLJOILEJVZJDG-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@H]1CCC2(CC2)C1	2049844520	BGHQEUPAMIXLEN-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2CCCC3(CC3)C2)C1	2049853528	HGNFKQZNZQQIDK-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C1CCC(C)CC1)[C@]1(C)C=CCCC1	2050009442	YEVKWPNLEUNMDI-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C(C(=O)[C@H]2CCCCC23CCC3)C1(C)C	2053355106	AARIGEWISKVVCN-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](NC[C@H]1CCCCC12CC2)C1CCC1	2053436572	NNKIOZPUBFAPEN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1Nc1ccc(CCF)cc1	2055666731	CYALRPCTKGLUOJ-BBRMVZONSA-N	249.373	4.579	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCC[C@@H](C(C)(C)C)CC2)CC1	2055847314	ZVFCCILCDHVWNK-OWCLPIDISA-N	249.442	4.680	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C2(C)CCC3(CC3)CC2)C1	2056539579	MUTILEGFZIFKOK-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(C[C@]2(N)CC(C)(C)CC3(CC3)C2)C1	2056640186	MXPKQXCWXDNTOO-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(N)(C2CC(C3CCC3)C2)CC1	2057491404	REBMHJWEZCZEIZ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H]1CC2CCC1CC2	2059256446	PBFUNYJBYXYRIW-OHGQURIASA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC(C)C)CC1CC(=C2CCC2)C1	2061726264	NYNXJTOZABFIOW-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)CC1CC(=C2CCC2)C1	2061736630	JAVRSJIUXRDQKX-OAHLLOKOSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)CC12CCC(CC1)CC2	2065337593	BFYVTTIJEVRATG-CWHQUEMWSA-N	249.442	4.501	0	10	BJAE	
CC1(CN[C@@H]2CC[C@@]3(C)C[C@@H]23)CCCCCCC1	2065665846	XPLPYFAEANIKKD-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)c1cc(C)cc(C)c1	2068821329	GZQSJVSPLFAUBJ-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1[C@H]2CCCCC[C@H]21	2070304108	LSSMMVRJDSNMGF-YVSFHVDLSA-N	249.442	4.667	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@H]3C[C@@H]32)CCCCCCC1	2071054628	IAYHBGQZFZNJJK-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(CC(C)=C(C)C)CCCCC12CCC2	2072411346	NUIZLMXKIZOBQI-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(CN)CC23CCC3)CC1	2072798851	NKNZRYVPGFTUEN-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(CN)CC23CCCC3)CC1	2072798915	OCFNGBHKLIASDR-ZOBUZTSGSA-N	249.442	4.502	0	10	BJAE	
CCCC1CCC(C=Cc2cccc(N)c2)CC1	2072820103	VOKGKWYTGXZSQE-UHFFFAOYSA-N	243.394	4.889	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)[C@]1(C)C=CCC1	2074653742	RILHRTLEBWOYAR-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCN([C@@H]2C=CCCCC2)CC(C)(C)C1	2075406673	DTKPHJLNMDSFGT-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC(C=C[C@]2(C)CNC(C)(C)C2)CC1	2078847420	QKDVIRCAHHAZRW-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CC(=O)C1(C)CCC2(CC2)CC1	2079842602	OWAGJPQUOPRRFK-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCC[C@H]2CCCC[C@H]21	2081117101	AXCFYSFGMIUHNO-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
N[C@]1(C2CCCCCC2)CCC[C@H]2CCCC[C@@H]21	2081133855	SMMJHPHZFMYRJG-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc2c(c1)CCC2(C)C	2082272029	FXJLBRGBDPJODN-LBPRGKRZSA-N	244.378	4.529	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCC=CCCC2)C1	2082979703	POWRDATUTQUJNW-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC(C=C2CCC[C@@H]2CN)CC(C)(C)C1	2082991549	RIMPGKKJGRWZBS-OAHLLOKOSA-N	249.442	4.524	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)c1cccc(C(C)(C)C)c1	2083543036	CXFOOHMNXIGDIZ-CHWSQXEVSA-N	244.378	4.603	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H]1CCCNC12CCCC2	2083818174	SINYNANAWDXUJJ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC=C(CC)c1cccc([C@H](CC)NCCC)c1	2084710331	RUZDFIBXSDDFMN-KRWDZBQOSA-N	245.410	4.951	0	10	BJAE	
CCN[C@H](CC1CC(CC)C1)C1=CC[C@H](C)CC1	2085000283	FYPWRLZAKQTWKJ-PBMMVSLJSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CCCN[C@H]2C[C@H]3CCC[C@H]2C3)CC1	2086161973	IRNHRDGBPVMYIC-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC[C@H]1C[C@@H]1CC	2215236388	JIZIMIPBUKKOCZ-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@]1(N)CCCCC[C@H]1CC	2215257833	WRYGFSMEHGLNNB-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H]2CCC(C)(C)C2)CC1	2215806450	FOSPVGPIFDQODR-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H]2CCC[C@H](C)C2)CC1	2215823346	HVTVGYBVHPGIFL-LZWOXQAQSA-N	234.383	4.518	0	10	BJAE	
C[C@H]1CCCCN1CCCCCCCC1CC1	2216878215	UBVUILFPGIKGCP-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CC)CCCC(C)(C)CC1	2217154141	RATKVVPFVUPEPD-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218322076	IXMRWMKEUMBINY-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccccc1CC=Cc1ccccc1	2219069370	INCHTMJKAHJTSR-UHFFFAOYSA-N	236.358	4.895	0	10	BJAE	
CC(C)c1cc(N[C@@H]2CCCCC[C@H]2C)ccn1	2220886137	UIPNDQFDMLMKKK-UKRRQHHQSA-N	246.398	4.586	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC2(C)CC(C)(C)C2)C1	2221085877	KTCOXQDYJZHWIZ-JSGCOSHPSA-N	248.410	4.764	0	10	BJAE	
CN(CC1(C)CCCCC1)C[C@]1(C)CC=CCC1	2221604389	ZILGJKKQRIUCOY-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@@H](C)CC2CCCC2)CC1	2221638896	VPIZHGJDZZBGQI-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)[C@@H](C)C1CCCCC1	2221929314	WULYBQFMVIWEGH-YOEHRIQHSA-N	245.410	4.520	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222955887	XNSVDKCSGYGOFY-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
C[C@@]1(CC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCN1	2222970061	HSCIONXOMVIIOQ-QAETUUGQSA-N	249.442	4.515	0	10	BJAE	
N[C@H](C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCCC1	2222972944	OYCWRIAUWGZREC-MUIFIZLQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CNC2CCC2)CC12CCCC2	2223568798	JXHYZGPRBYJXDB-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)C(=O)[C@H]1CCC[C@H](CC)C1	2244775295	MKLOYANGFOUYDE-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](C)CCC(C)(C)C	2244806495	LSJCRHPJUXDDLW-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CCCCN)CC[C@H]1CCCCC12CC2	2246634821	UPXXAQFVXFEJMX-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@]1(CN[C@@H](C)CC)CCC12CCC2	2247325998	IAOVYXVPBIHOAC-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@H]1CCC1(C)C)C(C)(C)C	2247418752	VQZNFCWIDSXGAN-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@H]1C[C@]1(N)CCCCCC1(C)C	2247447627	ZOHUJGAUXCTWNU-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)NC(C(C)(C)C)C(C)(C)C	2247722917	PUVNRCCDOTUCAW-ZDUSSCGKSA-N	241.463	4.862	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@H]2CC23CCC3)c1Cl	2248282645	GKVACWKVEUBKLM-VXGBXAGGSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCC(C)(C(C)C)C(C)C	2248388590	TZUQZZGCFIPDPL-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCCC1(CO)CCCC1	2248819076	HOKBXTOIUQKWOL-CABCVRRESA-N	238.415	4.536	0	10	BJAE	
C[C@H](N(C)CCCCC[C@@H]1C[C@H]1C)C(C)(C)C	2248839932	DQKRJJFUDYHGNL-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H](C)C2)cc(C)c1C	2249490476	GYFACZCMOMZMGG-XHDPSFHLSA-N	231.383	4.602	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1(C(C)C)CCC1)NC	2250358171	KOYDVJWYMNQYIV-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN1CCCC[C@@H]1C	2250467719	VFRJKZHQGPQYCN-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@]12CCC[C@H]1CC2	2251202770	WGVILMSWTQLQNK-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](O)c1ccc2ccsc2c1	2253058682	QQUCZLDFJZWSTR-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CC1(C)CC(C(=O)CC[C@@H]2CCCCC23CC3)C1	2253794307	PKROKGCOJMCGJI-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](N)CC[C@H]1CCCCC12CC2	2253883884	NPAAZMUTTFMFBE-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@@H](N)CC[C@@H]2CCC[C@@H](C)C2)c1	2253934242	GVYRMRFMJPEPLE-KMFMINBZSA-N	245.410	4.601	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@@H]2CCCC23CC3)C1	2254010410	GMHKBMPGCXKJCS-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)CC1CC2(CCCC2)C1	2254109650	UBAULHXYFCAJFS-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CNCCCC[C@@H]2C[C@@H]2C)CC1	2254506279	RFSBFIVGQJTCJL-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC1(C)C)C1(C)CC=CC1	2254990302	SQYPXDAVNLLKKF-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCCCN1CC[C@H]1CCCC12CC2	2255231822	GFCJDRZFLHWYEW-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCc1ccccc1NCC[C@@H]1CCCC12CC2	2255287990	NRRVDIZZIUVOKA-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
C[C@H](N[C@@H](C)C1(C)CCCCC1)[C@@H]1CC12CCC2	2256427209	RZWGLXLVZBWXOX-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@]12CCCC[C@@H]1CC2	2260508963	SIPBPSJXKVOLSE-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(CC(=O)[C@]23CCCC[C@@H]2CC3)CCC1	2260521467	QNZCIEBZLUYKNQ-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](N)(C[C@@]12CCCC[C@H]1CC2)C1CCC1	2260644930	DWFNJZAOHFDXDA-XIRDDKMYSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@@]12CCCC[C@H]1CC2	2260655936	DVOGXPGUOUBKMF-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](C[C@@H]1C[C@H]1CC)NC	2297876258	KFGXZXSORCMXNY-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H]1CCC(F)(F)CCC1=O	2300702806	YWZQSWCELDAGSI-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CC(=CCCC[C@@H](O)C1CC1)CCCC(C)C	2300864753	DZXPMMPBVOISHT-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CCCCCCNCC=C(C)CCCC(C)C	2300866062	VVUZZIRJBDYUKE-UHFFFAOYSA-N	239.447	4.929	0	10	BJAE	
C[C@@](N)(CC1CCCCCC1)CC1CCCC1	2301142448	JOIUXVWYKWTKMC-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301143842	XRTMPWKMWHGKJR-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CC2CCCCCC2)[C@H](C)C1	2301240615	BASVWGMDQXEASC-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)c1ccc(N2CCCCC2)cc1	2302228597	HPLKTDJQUHDWGA-UHFFFAOYSA-N	231.383	4.581	0	10	BJAE	
CCC1([C@@H](O)CCCC2=CCCCC2)CCC1	2302337305	WMLKNNLIVVPWLP-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N(C)CCCC1=CCCCC1	2302347650	TTWYRMVEEVSPDB-HUUCEWRRSA-N	237.431	4.633	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCC[C@H]1C[C@@H]1C	2302610910	NOJLWUZKQKNLQG-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCc1cscc1NC(C1CCC1)C1CCC1	2302886684	ISAPZXPFBNKWEO-UHFFFAOYSA-N	249.423	4.691	0	10	BJAE	
CCC[C@@](C)(CNC)C[C@H]1CCC(C)=C(C)C1	2303518896	CEHLGWXUZGDAJI-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@H]1CCC(C)=C(C)C1	2303530869	FDESUSVEJBJNTG-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](CCCC[C@@H]1CCC(C)(C)C1)NC	2304446663	ISXKZLLRSVXYAD-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)c1nc([C@]23CCC[C@H]2C3)cs1	2307689141	SIRLWRPIOVVYSD-NHYWBVRUSA-N	249.423	4.662	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H]1C2	2308583586	MSLFRXXHZDXZQW-LTIDMASMSA-N	249.442	4.514	0	10	BJAE	
CC=CCCC[C@@H](C[C@H]1CCC[C@@H]2C[C@H]12)NCC	2310191667	ILBICBJZIKFBRN-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](NCC[C@@]12CCC[C@@H]1C2)C1CCCC1	2310377883	QMPMOWDBKVNNPT-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)C[C@@H]3CC[C@H]2C3)CC1	2311023066	UFIWPBGUAUKBCI-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2C[C@H]2C2CCC2)C1	2311892378	HSLLGDAFAXIXPF-AEGPPILISA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2312465126	KJPBFZLNAODXON-XFIYOXNOSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313161854	KKAPOOXVKSADGQ-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CC(=CCNC1(CC2CC2)CC1)CCCC(C)C	2316492785	VFADTVSGEGGJPN-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1N[C@@H]1CCCC2(CCCCC2)C1	2316583604	BWCJDDVILQBPML-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCC(=O)c1ccc(F)cc1C1CC1	2317111789	XDPCTHBGFIVLBZ-UHFFFAOYSA-N	248.341	4.712	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CC1=CCCC1	2317907224	OMIQRHBZFDLTCN-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1NCCCC1=CCCCC1	2318530609	CENCXWYVETXHBR-HLLBOEOZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCCC2=CCCCC2)C1	2318532489	YYJILELAIAHZIB-WBVHZDCISA-N	249.442	4.825	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)CC[C@@H]1C[C@H]1C	2318576333	NZMYLEJAGFPTSH-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(C)c1NCCCC[C@@H]1C[C@H]1C	2318881169	WVSXGDWEMVGZGC-GDBMZVCRSA-N	245.410	4.796	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C[C@H]2CCC(C)=C(C)C2)C1	2320335888	XRYPDFMXFLUHGR-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)C[C@H]1CC1(C)C	2320402883	WPGYVMMTDDYCNU-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCN(C)C[C@@H]1CCC(C)=C(C)C1	2320413678	OUUYBOQPYIDVQG-QGZVFWFLSA-N	249.442	4.801	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@]23CCCC[C@@H]2C3)CC1	2320413700	UJBBBHGSQRAHRG-INMHGKMJSA-N	246.394	4.662	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1	2320421336	UTMAKRGPTCGCDQ-JJXSEGSLSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cc(F)cc(CC)c1	2321092600	BUPWZGFLTHGJKU-CJNGLKHVSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)C[C@@H]3CCC[C@@H]3C2)C1	2321650492	UEPUJJQLGKCHLB-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CNc1cccc(-c2cc(C)ccc2C(C)C)c1	2327784038	JWCBHCHYKKEALW-UHFFFAOYSA-N	239.362	4.827	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)c1ccc(CC)cc1	2328191775	YCRMCVBXOCMTNJ-RDJZCZTQSA-N	247.426	4.639	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccc2occc2c1	2328199503	HURDSGPIXMRYDN-SWLSCSKDSA-N	245.366	4.649	0	10	BJAE	
CCC(CC)N[C@@H](c1ccccc1)C(CC)CC	37107797	NURJMNOZUWFHBE-QGZVFWFLSA-N	247.426	4.942	0	10	BJAE	
CC(=O)c1oc2c(C(C)(C)C)cc(C)cc2c1C	37337250	OIUDQNMZAXDJAM-UHFFFAOYSA-N	244.334	4.550	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)c1sccc1C	42730427	OUMPDFAUFYDYDL-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC(C)(C)C2)ccc1F	79979096	VMZFFMVIMXEDOI-CYBMUJFWSA-N	235.346	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCC[C@H](CCC)CC1	87187534	QIWGYVSGOWSXHD-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
C/C=C\C[C@H](C)c1ccc(OCCC)cc1	107573200	FNZSZPSJWUGQJR-AGLBCWCQSA-N	218.340	4.545	0	10	BJAE	
CCCCC[C@@H](C)Nc1c(C)cc(C)cc1C	109899011	DODFRLXXQWRWKZ-OAHLLOKOSA-N	233.399	4.993	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)C1(CC)CCCC1	122897203	VRRMKJLYPYBQBO-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@H](C)CC(C)(C)C	124278749	WMRXQCTWZWPJDP-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
CCCCCC[C@@H](N)c1cccc(C)c1Cl	124813374	AEVMCOLJSYMCBU-CYBMUJFWSA-N	239.790	4.619	0	10	BJAE	
C[C@H]1CCC[C@H]([C@H](N)C2CCCCCCC2)C1	158964867	ANYVACXMCDTGLT-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@]1(CNC(C)(C)C)C1=CCCCC1	161461182	HAYYNOPWCJTZQM-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@@H](CC)c1ccccc1	162132419	UYRPQYQIISRJOR-XIRDDKMYSA-N	247.426	4.595	0	10	BJAE	
CC(C)NC[C@H](CC1CCCCC1)C(C)(C)C	162349762	JEKMRLLVPIDCKF-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(CNC(C)(C)C)C1CC1	164234662	HEMBXWJYPNOQMC-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC(C(=O)CC2CCCCC2)C[C@@H](C)C1	166022808	AONJWGXEVWNMOS-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc([C@H](C)CC)cc1	167178138	QYNOOLJGYCFAKE-QWHCGFSZSA-N	232.367	4.819	0	10	BJAE	
Fc1ccc2[nH]c(C3CCCCCC3)cc2c1	216614717	XYUWRFRRGGMKOR-UHFFFAOYSA-N	231.314	4.745	0	10	BJAE	
CC[C@H](C)C[C@@H]1C[C@@H](c2ccccc2)CCC1=O	224521754	FKZZHCXSJRWETD-CWRNSKLLSA-N	244.378	4.576	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC[C@@H](CC)C1	226940735	QWSPMWRQDXSGBK-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cccc(C)c1Cl	229273033	VDQPDVKWKPAPEJ-MFKMUULPSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1sccc1Cl	229937938	ZDUKRTOTJRFTON-LLVKDONJSA-N	245.819	4.631	0	10	BJAE	
CCCCC1CCC(CN)([C@H](C)CCC)CC1	232924261	SIMFOBOXKPIEMS-QQFBHYJXSA-N	239.447	4.748	0	10	BJAE	
CC[C@@H](C)c1c[nH]c2c(Cl)cc(Cl)cc12	233861345	PWWYENVPOZWHPQ-SSDOTTSWSA-N	242.149	4.988	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CCCCC[C@H]1C	251348193	NHIMAADTTSKLLL-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](CC)c1ccc(C)cc1	251662652	BXEWBHSKADQXFT-JLJPHGGASA-N	247.426	4.860	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1CCCCCC1	300917610	STNOTAWLBGQDFK-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc2ccn([C@@H]3CC[C@@H](C)[C@H](C)C3)c2c1	305668870	XKRRBIYJKTXHLQ-IIAWOOMASA-N	241.378	4.947	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@H](C)CC(C)C	305927184	IYTCAPMGZIMHSN-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCCC[C@@H](N)C2)CC1	310124542	ITPKIDDJSZTLQA-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1c2ccccc2-c2nc(C(C)(C)C)sc21	310372316	XSFNIJUCXQPNCA-SECBINFHSA-N	243.375	4.573	0	10	BJAE	
C[C@@H](C[C@H]1CCC[C@@H](C)C1)[C@H](N)c1ccccc1	310979780	JMKQAZJAGYGDDY-AESZEHBQSA-N	245.410	4.539	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCCC(C)(C)C	313281032	KFPQPWIVWUJENG-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCC1(C)C)C1CCCC1	313417024	MQKYKTAOPINGHM-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CNCC1([C@H]2C=CCCCCC2)CCC(C)CC1	317734853	MMGIEUVQGDYCBK-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
C/C=C\C[C@]1(CNC(C)C)CCC[C@@H](CC)C1	317813191	BFFSWQXLKJKVON-KMZHTNPJSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C2(CNC3CC3)CCCCC2)C1	317867961	HZXUSRGEJQDWAG-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@H]1CCCC12CCCC2	328186514	OTHGDGBJOXGPJY-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)c1cc(C)cs1	379173175	DUXQGUHWDDUEBF-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1csc(C)c1	381188683	SSMPCRAVMKRXLO-LBPRGKRZSA-N	238.396	4.846	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCCC[C@H]1C	383229205	TWIZKHPADNZEGV-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CCNCC(CC)(CC)C[C@@H]1CCC[C@@H](C)C1	383875280	IKLZASNXFNPPEL-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(N)c(-c2ccc3ccccc3c2C)c1	384795028	XLMFIGPXTBIFHC-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CCc1ccc([C@H](O)CCC2=CCCCC2)cc1	384831971	FNPLSQBOAXWMOI-QGZVFWFLSA-N	244.378	4.563	0	10	BJAE	
CC[C@H](NCC(C)(C)C1CCC1)c1ccccc1	384914107	CPGGOLNNRNHWGF-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](CCC(C)C)c1cc(C)cs1	393308220	OIBRRJCOOWMRFM-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCC(CC)C[C@H](N)c1ccc2sccc2c1	395439651	UCAYNAVKILQRFY-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CC[C@@H](Nc1cscc1C)c1ccc(C)cc1	395705834	HNLYFIDJKFMVAU-CQSZACIVSA-N	245.391	4.928	0	10	BJAE	
Cc1ccc(C)c(C(=O)CCC(C)(C)C2CC2)c1	405814030	MQCYVBSUQJPELQ-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc(Cl)cc1NCCCC1CCC1	688373185	ZLCKLIXXZPLFCO-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)C[C@@H](C)CC(C)(C)C1	688446564	BMPKAESIKBONEP-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@H](C)CC1CCCC1	689716604	JSKRLICHFYLUMG-CABCVRRESA-N	245.410	4.614	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1CC2CCC1CC2	689720139	SISFBCSWKRTQTL-MFNRNEDNSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1N[C@H](C)c1ccco1	691098074	HXHJYFQREUYQJA-KFWWJZLASA-N	249.398	4.535	0	10	BJAE	
CCC(CC)C[C@H](N)c1cccc(C(C)(C)C)c1	691650043	IQHYYSONRPDNNH-INIZCTEOSA-N	247.426	4.810	0	10	BJAE	
C[C@@H](CC(=O)[C@H](C)C1CCC1)C1CCCCC1	692768196	BANKWOMWTFQPJZ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(N[C@@H](C)CC1CCCCC1)C(C)C	694620293	WYUZDXVHSUPRMA-AWEZNQCLSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1C=CCCCCC1	694669130	CRRWLWGTAUJYFH-DOTOQJQBSA-N	249.442	4.824	0	10	BJAE	
CNc1cc(Cl)cc(CC2CCCCC2)c1	694960812	NNQKDCAJCPOMLH-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CCCCC1(C)C	696562109	QDWQMCWLRDIBNI-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
C[C@H](NC1C[C@H]2CC[C@H](C1)C2)C1CCCCCC1	697680955	CXJWKPBQMOINKD-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](c1cscc1C)C(C)(C)CC	701100705	PVOVLOBSUFBTKV-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@]1(N)CCCC12CCCC2	704446229	ICZCAGSLMARKJA-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@]1(N)CCCC12CCCCC2	704859717	GXMPIHCBVVOBCD-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)CC[C@@](N)(CCC(C)C)C1CC1	704880493	IEMVTFRLFIUDED-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C23CCC(CC2)CC3)CC[C@H]1C	710324279	SFQWFNRZWXQTGP-GMILMZFISA-N	248.410	4.598	0	10	BJAE	
CCC[C@@](O)(C[C@H](C)C(C)(C)C)C(C)(C)C	710709059	VLVLZUCKZXYUSJ-SWLSCSKDSA-N	228.420	4.636	0	10	BJAE	
C[C@@H](CC(=O)CC1=CCCCC1)C(C)(C)C	711149937	UXPURXXYIQCSON-LBPRGKRZSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)C[C@H]2CC[C@H](C2)C1	711200805	FWTPVTJTDXQQGS-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
C=C/C=C/CCC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	713632192	HZZJXTXRFIXMAX-JLVOYYQZSA-N	234.383	4.540	0	10	BJAE	
C=C/C=C/CCC(=O)c1ccc(C(C)(C)C)cc1	713673510	MOMBRRHKACMVCH-VOTSOKGWSA-N	242.362	4.689	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cscc1C(F)F	717181139	VGYFQRHXMVRSDH-KWQFWETISA-N	248.338	4.545	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CC[C@@H]1CNC(C)(C)C	718493955	LTFVIYHUTXGRJA-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCCc1ccc(F)cc1F	718784904	ABNCGMPHUVEXFW-UHFFFAOYSA-N	224.294	4.644	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)C(C)(CC)CC	721772847	NQNXWNIMOPEWHU-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(N(C)C[C@H]2CCCC(C)(C)C2)cc1	1308674663	MCPYYVOFLKULIR-HNNXBMFYSA-N	245.410	4.648	0	10	BJAE	
C[C@H](CN1CCC[C@H]1C(C)(C)C)CC(C)(C)C	1559575693	KELYTYHFSJFAPV-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNCC1(C)CCCCC1	1560491764	XUVCJAHAYNPSJC-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H](C)SCC1CCC(C)(C)CC1	1652688258	DJOSSADBYUOKFM-GFCCVEGCSA-N	228.445	4.981	0	10	BJAE	
CCC(CC)CCC(=O)c1cc(C)sc1C	1900714318	VGTLKYOASXCRAT-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H](C)[C@@H](C)C(C)C	1901622851	CSHNLWLZKSGGBS-NWDGAFQWSA-N	239.790	4.741	0	10	BJAE	
CC(C)CCCc1ccc(SC(F)F)cc1	1901885794	ZXUMZXLWYUPIJY-UHFFFAOYSA-N	244.350	4.980	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1ccccc1Cl	1905393472	VISCXWLRDXZXGG-BXUZGUMPSA-N	240.774	4.590	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)c1csc(C)c1	1905448466	YOTVZNYKSMSGBX-TZMCWYRMSA-N	239.428	4.533	0	10	BJAE	
Cc1cc(C)c(C(=O)CC[C@@]23CCC[C@@H]2C3)s1	1908427429	YRUZFYKDDAOJPA-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CCCNCC(CC)(CC)C[C@@H]1C[C@H]1CCC	1910747384	JNALPXFPGHGYOI-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
C=CC=CCC[C@@H]1CCCC[C@@H]1CNC(C)(C)C	1912013585	GGMTYMXLKWDZTQ-HZPDHXFCSA-N	249.442	4.703	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(N)CC2(CCCCC2)C1	1912727514	LPYCXUIZXMCPKK-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC2(CCCCC2)C1)C(C)C	1915854102	FOCBAPOFTIWZCU-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CCC2(CCCCC2)C1	1915915682	ZKWXHYWUXUANCW-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@H](CC2CCC(C)(C)CC2)C(=O)C1	1916064565	APEMFIBDYOMSBX-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H]1CCC[C@H]1C	1920195900	FKEOVTHCNUMRSM-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CC(C)c1ccc([C@](C)(N)CCC2CCC2)cc1	1920440728	OXLVPGRJTDRFHI-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C1CC(CCC)C1	1921303573	GAMHVZYUQCGUCI-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@H]2C=CCCCC2)CC1	1925904520	XPZFZPVJBPZYCL-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)C1CCCCC1	1940407860	JUXMEMUBSXWLOC-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CCC[C@@H]1CC1(C)C	1940876275	LIWCXQFVXLRWBK-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@@H](C)C1CCC(N)CC1)CC(C)(C)C	1940967841	UVYUXEIEOGDEEV-ZUJMUWTESA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC(=O)C(C)(C)C1CC1)C1CCCCC1	1941141114	FVAZEZOSDXCKRI-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CC1(C)CCC1)NCC	1941263009	LMYREMYYICUKFY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C(=O)CC(C)(C)C(F)F)C(C)C	1941605791	FFTKCULWYKCINO-LLVKDONJSA-N	248.357	4.555	0	10	BJAE	
CCCC1([C@@H](O)c2cccc3sccc23)CC1	1945957943	INCBCBXLOZOOJR-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CCC[C@H](C)[C@]1(O)CCCCCCCC1(F)F	1947509285	DMEASJHDVIZVOP-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
OC1(C2=CCCCCCC2)CCCCCCC1	1947548726	YFOHANHJKQVGCG-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@@H]1C=CCC1)NCC	1947574897	CZLUNVZKQZSQMA-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C[C@H]1C=CCCC1	1947576790	QJNIXZAGZCSYCS-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1CC12CCCC2	1948072803	YDVIKWNPLGSWOY-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C[C@@H]1CC[C@@H](C)[C@@H](C)C1)NCC	1948424477	CGQJURMEKQWEOD-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1	1948597438	XQPACONUCCFYLG-QXSJWSMHSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)C2CCCCCCC2)C1	1949423608	YSMFJTUVYBQJML-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC=C(Cl)Cl	1960997655	PUYIMLQZCOXGSX-SNVBAGLBSA-N	249.181	4.625	0	10	BJAE	
C1CCC(CCCN[C@@H]2C[C@H]2C2CCCC2)CC1	1967829280	ZSCKYRHAECIWIS-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)cc1NCC[C@@H]1CCC[C@@H](C)C1	1968312881	RTFJIRPHXZUJCB-OCCSQVGLSA-N	249.373	4.762	0	10	BJAE	
CCC1(CC)CC(Nc2ccc(F)cc2C)C1	1968366654	KSRGMALLJKEPCC-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC2(C3CC3)CCCC2)C1	1970876501	HOHFMXIITZJSTI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)NCC(C)(C)CC(C)C	1971514981	WDHGQOKQWYRJJD-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CCCCC12CC2	1972725081	JLESUCDPICUGJN-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)CNCC(C)(C)CCC	1976009903	DZDUCFWMTUBTNN-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C(C)(C)CC)CC1	1976340051	ABIVPIJLVMWTMP-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
FC(F)c1ccc(C[C@H]2C=CCCCC2)o1	1979633217	PMPMBECEGLDVBR-JTQLQIEISA-N	226.266	4.506	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCC[C@H](CC)C1	1984574792	FACUNNZTPUAVNY-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC1(CCC)CC1	1990618113	JZNVBRXAVKPLPG-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N(C)CC(CC)(CC)CC	1990886206	UCARBTOVHAVTON-ZIAGYGMSSA-N	227.436	4.569	0	10	BJAE	
CCCc1cccc2c(C(C)(C)C)coc12	1995464006	PYPJXFDPGOIAHE-UHFFFAOYSA-N	216.324	4.683	0	10	BJAE	
CCCC1(c2nc(C3CCCC3)cs2)CC1	1995499229	ZWZUVPFSDUHACZ-UHFFFAOYSA-N	235.396	4.632	0	10	BJAE	
CC[C@H]1CCC[C@H](N(C)CCC(C)(C)C)CC1	1997189264	UKTQBXOTLIKLOJ-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H](C)C1CC(C)(C)C1	1998647320	BGAPLGSYCZWFLI-QWHCGFSZSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1CCC=CCCC1)NC	1999992065	DRUADJGCFSPXHP-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(O)C2CCCCC2)C1	2000026409	CLZNHXVFKZVPDL-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)C1(C)CCCCCC1)C(C)(C)C	2000212780	ZASFTTPLHGKYIO-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CCCC1CC1)NC	2000334443	FFSXJBPBESFGAH-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CNCC)[C@@H]1CCCC[C@H]1CC	2000511721	GTNKBLWYJBSNKQ-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC1CC(C)(C)C1	2000516591	XXNFFRFFRMHBDU-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@](C)(CCC(C)=C(C)C)CNC1CC1	2000518872	TYSYESMGOSPVPZ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1C[C@H](N(C)CCC(C)(C)C)CC(C)(C)C1	2000896450	KREZFHPEIGSLHM-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCCCN(C[C@H]1C=CCCCC1)[C@@H](C)CC	2000906256	HWEMYBUTOZWRCW-HOTGVXAUSA-N	237.431	4.633	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)CCC2CCC2)C1	2002999513	URAUCXOLMGMTKD-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@](C)(N)[C@H]1CCCC(C)(C)C1	2003014021	AKRVVZSUHKAKMZ-YXWQFLTLSA-N	239.447	4.602	0	10	BJAE	
CCCCCC1CCC([C@H](CC)NCC)CC1	2003068144	DYUJWMJVXRMZNG-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CC(C)(CNC1CCCCCCCC1)C1CC1	2003094664	GTGLXIPMBFMHIG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(C(=O)CC[C@H](C)CC(C)C)c1	2003645063	FZHBVNJGCRFUNX-AWEZNQCLSA-N	232.367	4.640	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)[C@H]1CCCCC12CCC2	2005562439	BDMUJTDQDXPPLK-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1C[C@@H](CC2(C)CCCCC2)C[C@H](O)C1	2006657211	HDMNCYUKGJZLIX-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CC(C)(C)C)C1(C)CCC(C)(C)CC1	2007699655	YIBFTDQETPMOBS-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@H](O)C2(C)CCCCCC2)C1	2007751858	NCYJDKFOCVUGEV-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC)CC(N)(CCCCCC2CC2)C1	2009298729	KLOPNZGKVNSIAS-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC[C@](CN)(CCC2(C)CC2)CC1	2009543188	CZINVHQBLGRXPT-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CCCCC[C@H]1C(C)C	2009587920	HTKJBCYHVQLAAJ-CGFBPQRUSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCCN[C@@H](C)[C@H]1CCCC(C)(C)C1	2009590244	QZPWPVOUKHWART-WHJWBVKISA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C(=O)CC[C@]23CCC[C@H]2C3)sc1C	2011011693	QGHMJSVPZCJZQY-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CCCCCC[C@@]1(CNC(C)C)CCC1(C)C	2014845644	HCBGCVSVLOMUGZ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H](C)[C@H]1CCC1(C)C	2014943058	QZXWQCDJKVZSEL-MGPQQGTHSA-N	239.447	4.616	0	10	BJAE	
CCC1(CC)CCCN1CC(C(C)C)C(C)C	2015337071	VQKUTQUONGIWAH-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(CC[C@@H](N)[C@@H](C)C(C)(C)C)C(C)C	2015357741	MVRXUJOMEUXOCO-UKRRQHHQSA-N	241.463	4.704	0	10	BJAE	
CCCC[C@](C)(N)CC1CCC(CCC)CC1	2017728540	MTJNJWVVLFHDAR-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@]23CCCC[C@@H]2C3)s1	2018634414	QNQZFVQEIGNNPS-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C[C@H]1CCC[C@H](C)C1	2019173914	YOONCFIGUWXUEN-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CC=C(CC)[C@]1(N)CCCC2(CCCCC2)C1	2020913938	OCJRMPDOHLNUKE-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)C(=O)[C@H]1C[C@@H]1C1CCCCCC1	2022418031	SKIXQYZGFUNAKT-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CCCC(C)C)c1	2024077455	VGICVQGIVROJSZ-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CC(C)(C)C1(C)C	2025022156	XUXHFFFQZDXXLK-UONOGXRCSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC[C@@H](C(C)C)C1	2025575742	ZQTWTWSTAKKETC-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
c1sc([C@@H]2C[C@H]3CCC[C@@H]32)nc1C1CCCC1	2026605560	RNDULMXAHXYSAY-FRRDWIJNSA-N	247.407	4.704	0	10	BJAE	
C[C@H](C[C@H](N)c1ccccc1C1CC1)C(C)(C)C	2028561272	YQQBUFMBNHCOJW-WBMJQRKESA-N	245.410	4.636	0	10	BJAE	
C(CCNC(C1CCC1)C1CCC1)CCC1CC1	2028635330	YVNDSXWDKCYAQP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C[C@@H]1CC1(C)C	2028928989	BMTBYMOIHMBVSJ-CQSZACIVSA-N	244.378	4.504	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@@H](C)C1CC1	2032165704	LVCVUGWDJNBNJG-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCC1	2032296235	CDJUWEDHBUWBDG-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(CC)c(NC[C@H]2CCC[C@H]2C)c1	2032513525	HZCOVTZNDVJCHW-CZUORRHYSA-N	245.410	4.660	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C12CCC(CC1)C2(C)C	2033452732	FITHJHPAVHWTDQ-SMOJQAGNSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@H]1C=CCCC1	2035575013	CTQDGLNAHSYKSN-WMLDXEAASA-N	244.378	4.590	0	10	BJAE	
Fc1cccc2c3c([nH]c12)C[C@H]1CCCCC[C@H]31	2035859797	CYNGERJSTXVIAO-MNOVXSKESA-N	243.325	4.527	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C1=CCCCCCC1	2037074450	PCSQPRQSEHZQQN-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](N2CCCCC23CCCCC3)C1	2037679635	SSMCLEVRVSYXAU-HNNXBMFYSA-N	249.442	4.754	0	10	BJAE	
C[C@H](C1CCC(N)CC1)[C@@H]1CCC2(CCCC2)C1	2037692167	DIXMDABLHVETIZ-YHNBSYBMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NC[C@@H]1CC12CCCCC2	2039078394	HPSRFOOPWZICBS-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCNCC(=C[C@H]1C(C)=CCC[C@@H]1C)C(C)C	2039434644	KTGPNYRDYSTBCL-RDJZCZTQSA-N	249.442	4.561	0	10	BJAE	
CC1(C[C@](C)(N)C23CCC(CC2)C3)CCCCC1	2039873614	XYSBBJPOUYQXRR-WIHSUSGWSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](N[C@H](C)C1CCC(C)(C)CC1)c1ccoc1	2040648315	SNJFPMQZMLHLTQ-CHWSQXEVSA-N	249.398	4.535	0	10	BJAE	
C1CCCC(CN[C@@H]2CCCC3(CCC3)C2)CC1	2041289653	KFDCCUCTCQODMR-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@]1(C)CC=CCC1	2042015458	AGWPSAAEHPJHIY-IAGOWNOFSA-N	243.394	4.556	0	10	BJAE	
C[C@@H](CNC[C@@]1(C)CC=CCC1)C1CCCCC1	2042071740	JJFCVXPERRXYLU-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2042344406	GKSABLVQXPLOGH-TWMKSMIVSA-N	249.442	4.680	0	10	BJAE	
C[C@H]1CCC(C)(C)CN1C[C@H]1CCC=CCCC1	2045308335	TUPFKTPSAKFUJW-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@H]1CC12CCCC2	2047052394	MNSARIZONDGDMD-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C=C1CC[C@H]2CCCN[C@H]2C1)CC(C)(C)C	2048086836	PEOPJYLKTDYVDJ-BMFZPTHFSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H]2[C@H]3CCCCC[C@H]32)C1	2048373350	AYZUQUPSPRZJFH-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2[C@@H]3CCCCC[C@@H]23)C1	2048447621	YRAPBFVVVORVNS-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2048471228	FDLUPBSELOCZSY-ARLBYUKCSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@H](N)CC2CCC3(CC2)CC3)C1	2049938398	QHJBFEYBZXTBJS-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@H]1CCC2(CC2)C1	2050457014	XXLZYNAQOYVJRO-CQSZACIVSA-N	242.362	4.538	0	10	BJAE	
C[C@H](C[C@]1(N)CCC[C@@H]2CC[C@H]21)C1CCCCC1	2052298713	DMGSRGYCDRNHMX-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H](C)CC2CCCCC2)CCC1	2055554768	LPTXFLVJJWLEIZ-YOEHRIQHSA-N	249.442	4.824	0	10	BJAE	
CN[C@@H]1C[C@H](C[C@H]2CCC=CCCC2)CC[C@H]1C	2055584233	MAYJMBHUZUQKPU-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
C[C@H](Nc1ccc(CF)cc1)[C@@]12CCCC[C@H]1C2	2055672830	XQJNTRFVNDRJQS-NOLJZWGESA-N	247.357	4.537	0	10	BJAE	
CC1(NCC2CC(C3CCC3)C2)CCCCCC1	2056723025	JWBUKUJQAAUNPC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(C=C2CCCCC2)CC1	2056921253	YHFXJZMALFMDMS-DOTOQJQBSA-N	249.442	4.955	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@]1(C)C=CCCC1	2059181532	UIHNGGOQBXOQEG-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(N[C@@H]2C[C@H]3CCCC[C@H]32)C1	2059390227	LSOUTGBMPPZXGG-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C1CCC1)[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2061098240	ICNALICDDSJEOO-KCXAZCMYSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1CC(=C2CCC2)C1	2061735391	YGDQMUMWBSMNMP-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCc2ccoc21	2062955419	DTOMAEUWNRZWCC-ZFWWWQNUSA-N	249.398	4.606	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC23CCC(CC2)CC3)CC1	2065263382	XWLOAPOQNINCKF-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@@H](C)c1ccc(CN)cc1)CC(C)(C)C	2067352431	JSAIGGMKECPCPW-ZIAGYGMSSA-N	247.426	4.711	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1C[C@H]2CC[C@@H]2C1	2068814234	RKZRHCYROOSCTP-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1[C@@H](C[C@@H](C)C(C)C)NC	2068842302	PETQZQYLKIYJMZ-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CC(C)CC1([C@@H](N)c2ccccc2C(C)C)CC1	2069512490	BOHQGQVLVITDDT-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2CCC3(CC3)C2)CCC1	2071927434	ADSGWVOOZIRQJY-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@](C)(NC[C@@H]2CC23CCCC3)C1	2072608923	SHCDKPSRJYKUJX-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CNCC[C@H]2CC)CC1	2072810870	ZKILQSHOSWEBRR-BZUAXINKSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCNC3(CC3)C2)CC1	2072817825	GZLZXHXIZZWTMP-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)c2ccccc2F)CC1	2072869134	NDEPQHMPIULNMK-JOCQHMNTSA-N	248.341	4.615	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C2[C@@H]3CCCC[C@@H]23)CC1	2072875716	QZRXYOAZFJHRLQ-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CN(CC1(C)CC(C)(C)C1)[C@@H]1C=CCCCCC1	2074803030	VPGSELWPWHVWFG-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCCCN([C@H]2CCC23CCCCC3)C1	2075011326	AXKHQPKNTHTQAY-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](Nc1ccccc1C1CCC1)[C@H]1C[C@@H]1C	2077264703	YRHIUSGBDDRLQS-RCBQFDQVSA-N	243.394	4.801	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](NC)c1ccc(C(C)C)cc1	2079437149	ZUEFUYNSGAUAIG-IXDOHACOSA-N	245.410	4.507	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079626524	ISEJKCDQSCCMGG-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@H]1C[C@H]1C(C)(C)C	2079820538	RHZMTOPLVNYTBP-LSDHHAIUSA-N	241.378	4.632	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2C[C@@H]2C2CCCC2)CC=CCC1	2079849609	AARKZHBFEQWUBF-INMHGKMJSA-N	246.394	4.518	0	10	BJAE	
CC(C)=CC[C@H](N)C[C@@H]1C[C@@H]1C1CCCCCC1	2081775125	NICFQWVPNINOBG-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CC1CCC2(CC1)CC2	2081785593	MQYWTBZFPRWVGO-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CN2[C@H]3CC[C@@H]2C[C@@H](CC)C3)CCC1	2084517310	NFMDGNLFIUIKTE-PHZGNYQRSA-N	249.442	4.610	0	10	BJAE	
CCCCCc1ccc(NC[C@@]2(F)C[C@H]2C)cc1	2085465000	YTPPPRWAQHGYIC-CJNGLKHVSA-N	249.373	4.579	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)Cc1ccc(C)cc1	2086044012	KIGXVIKWVVFZAP-RHSMWYFYSA-N	248.410	4.505	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CCc1ccccc1	2086044437	NSSXHNKDUCHVAL-NVXWUHKLSA-N	248.410	4.587	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CCCCCCC1CC1	2213572271	TYTKEWCNKGBSTG-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCC[C@](O)(CC[C@H]1C[C@H]1CC)C1CCCC1	2215252200	PLFQBXZALYVCCT-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](O)CC1(C)CC2(CCC2)C1	2215467357	RJZUSXZKULKDKT-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)CC(C)(C)C(C)C)CC1	2215811777	FHNUVBODNBACCV-ZBFHGGJFSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCC[C@@H](C(C)(C)C)C1	2216259126	SIAGSEQYIQPDRH-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCC(=O)CCC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216748006	SBDICKXBOJEHIS-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC(C)C)CC(C)(C)CC	2217139513	SPQJXFIIUMBVSI-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CC)CCCC(C)(C)CC1	2217154144	RATKVVPFVUPEPD-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)C/C=C/c1ccccc1	2219065005	LPHRBKUJTFJEOG-BGVIPNPZSA-N	246.394	4.523	0	10	BJAE	
Fc1cc(F)cc(CCC=Cc2ccccc2)c1	2219077852	HNXRCDVBMDNPBK-UHFFFAOYSA-N	244.284	4.611	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)c1ccc(C)o1	2220045852	PLCXWIUCYRDNLI-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
N[C@@H](CC[C@@H]1CCCC2(CC2)C1)C1CCCCC1	2220297947	BLEYJRMJRLMBJK-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C[C@H]1CC[C@H]1C)c1ccc(C(C)C)cc1	2220557272	GVXYNGWJAUEMMH-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@]1(C)CC=C(C)CC1	2221627124	UJKNKUJVLDMNPW-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222955886	XNSVDKCSGYGOFY-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
C(CCCN[C@@H]1CC[C@H]2CC[C@H]21)CCCC1CC1	2223157912	IFWGCHCQVCFOGN-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN2[C@H]3CCCC[C@@H]3C[C@H]2C)CCC1	2224078748	IBKARZRGCOVIKS-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H]1CCc2cc(C)ccc2N1	2224122134	XKBGQBMKTBWSKW-KBMXLJTQSA-N	243.394	4.548	0	10	BJAE	
CCCC1(C(=O)c2cccc3ccoc23)CCC1	2224193862	ZGEKPKRJOYBVOJ-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCC[C@@H](CC)CNc1ccsc1Cl	2242052261	VOIAKGMIMJRAEW-SECBINFHSA-N	231.792	4.640	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCCC(C)C)NCC	2244779544	DNNGGAHQIRGNOG-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H](CC)CCC	2244796567	MSTXXKSTDVARCC-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
O=C(CC[C@@H]1CCCCC12CC2)c1cccs1	2246605113	BXNZIVRLIQMTBY-LBPRGKRZSA-N	248.391	4.681	0	10	BJAE	
CCC1([C@H](N)CC[C@H]2CCC[C@@H](C)C2)CCC1	2246664051	NXUBABCGSUUBMC-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCC1(NCCCCC[C@H]2C[C@H]2C)CCC1	2248877659	GMYOTJUULDDZCX-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1(C)CC(C)(C)C1)NC	2250367192	NZBZQWSGABQQDY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCC(F)(F)CC)NCC	2250373925	WFNZXEZRZUPHJJ-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CNC(C)(C)C1	2250469193	MDFSRZZKGGQESV-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@H](O)[C@H](CC[C@H](C)CCCC(C)C)C1	2250479199	QXUUVSUBSJADID-BMFZPTHFSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)c1ccco1	2250488454	NDCDYPAMHDXTDR-ZIAGYGMSSA-N	237.387	4.522	0	10	BJAE	
CC[C@@](C)(CC[C@H](C)CCCC(C)C)C(=O)O	2250494237	ABDNOBKUKMRIQJ-HIFRSBDPSA-N	242.403	4.730	0	10	BJAE	
CCCCCN(C)CC[C@H](C)CCCC(C)C	2250515265	XGSYADVQKKUOHC-MRXNPFEDSA-N	241.463	4.961	0	10	BJAE	
C1=C[C@H](Cc2cccc(C3CCCC3)c2)CC1	2251253106	ISNBFJOGWQMQDZ-AWEZNQCLSA-N	226.363	4.853	0	10	BJAE	
Cc1ccccc1OCC[C@@H]1CCCCC12CC2	2253799358	DMDDEIBEMPEJCG-HNNXBMFYSA-N	244.378	4.734	0	10	BJAE	
C[C@@]1(C(=O)CC[C@@H]2CCCCC23CC3)C=CCC1	2253856760	RLHAYZHKMYQSCW-GOEBONIOSA-N	246.394	4.662	0	10	BJAE	
CCc1occc1C(=O)CC[C@H]1CCC[C@@H](C)C1	2253939870	WHAUBTCGSUQPDO-CHWSQXEVSA-N	248.366	4.631	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)CC1=CCCCC1	2255136904	OUQMBEKSHYBWEW-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC[C@H]1CCCC12CC2	2255230670	YNJPMVSVNVAACU-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1CC[C@H]1CCCC12CC2	2255267767	QMTVAXHHMOMYJY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)C[C@H]2CC[C@H](C2)C1	2257362113	PXTUVHLAWXSSAN-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNc1cc(C2CC2)ccc1F	2259110382	UEFWKNKIMVGWBO-YPMHNXCESA-N	247.357	4.551	0	10	BJAE	
CCC[C@H](CC)[C@@H](C=Cc1ccccc1)NCC	2259436484	GWMUTQMICPRUTD-DLBZAZTESA-N	245.410	4.504	0	10	BJAE	
CCC1(C(=O)CC2CC3(CC(C)C3)C2)CCCC1	2259572783	XIHAXSDGDBZKPS-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@]12CCCC[C@@H]1CC2	2260557297	OODIJGSWZBQZNP-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H]1C[C@H]2CC[C@@H]1C2	2298609071	PPVURHUPEXQAFY-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CCC1)C[C@@H](N)CC1CCCCC1	2298935212	GNWGKDNREOZXDB-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)C1CC2(CCC2)C1	2300696137	AFWIUKXTYNOJST-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](N)C1(C)CCC(C)CC1	2300701362	QVGCCLOTOCSWNO-SIWZUTFBSA-N	239.447	4.747	0	10	BJAE	
CCC(C)=CCN1CCCC[C@H]1c1cccs1	2300887265	BMXREQQAOUMGGF-AWEZNQCLSA-N	249.423	4.631	0	10	BJAE	
CC(=CCN(C)[C@H](C)C(C)C)CCCC(C)C	2300890023	WLURBHOAJNGDAL-MRXNPFEDSA-N	239.447	4.735	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CCCC(C)(C)CC1	2300903619	GOHRCZATXKQKDX-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CC[C@H](C)[C@@](C)(O)CC=C(C)CCCC(C)C	2300913333	DWNRIOQBHQCGGD-HOTGVXAUSA-N	240.431	4.946	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CC(C)(C)CCC1(C)C	2300923293	HRIIXJYNFNGMFV-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CCN[C@H]1CCCCCC[C@H]1CC=C(C)CC	2300926772	OWPIOWWGXKFTEO-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](CC2CCCCCC2)C1	2301241873	MVDDRQHUBOPGMV-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCCCCC2)C(=O)C1	2301242524	TXNAVEZSOUNRRU-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@H](C)C1CCCCC1	2301837959	CPYGZYVTOPQELU-MELADBBJSA-N	238.415	4.700	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@H](C)[C@H](C)C(C)C	2301838790	FYBIQAXHDQKILS-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H](C)C1(C)CC1	2301907352	ITHLSPIXVSFBII-LLVKDONJSA-N	235.346	4.550	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCC2=CCCCC2)C1=O	2302301484	SLSOFWJILVQPMX-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
CCNCC(CC)(CC)C[C@H]1CCC(C)(C)C1	2302709068	DZWOATNLFQCSCQ-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@H]1CCC(C)=C(C)C1	2303603192	PWEKSMOCCBORRX-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@@H]1CCC[C@H](C)CC1	2303620288	YJFOUIRZUOXVAJ-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](O)CC[C@@H]1CCC(C)(C)C1	2304361611	WUQDQFXXWIEWDT-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)CCCC2(C)C)C1	2304406260	BBMXLTJIRBVNDK-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CC[C@@H]2CCC(C)(C)C2)C1	2304433347	BBQRICWXCMSBBH-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)c1F)C(C)C	2307573480	GIYGWQILXCSTFC-ZDUSSCGKSA-N	237.362	4.796	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNCC)CCC[C@H]1C	2307762899	GUCPXDWINIZWHQ-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@](C)(C[C@H](CC)CCC)C(C)C	2307842140	HWZFAMZDXSHAEA-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC(C)C)C=CCC1	2307843810	PIYPGVDEKSNEJU-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)CC12CCC(CC1)C2	2307891348	BXTORWXLXHFQEQ-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)C1(CCC)CC1	2307902422	LDGNUXNMNSHXNS-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1)C1CCC1	2308401375	VKNYVKIMRXZVQF-YLFCFFPRSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H]1CC[C@@H]2C[C@H]12	2308621584	FSPMKJZOJFQXFX-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1(CCC(=O)[C@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2310192023	QBKXICZCBCTPFS-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC=CCC1)[C@@H]1C[C@H]1CCC	2311517036	GPBSGKNZLZCMPI-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@@]12CCCC[C@@H]1CC2	2313323559	DVOGXPGUOUBKMF-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC1CC1)N(C)[C@H]1CCC2(CCCCC2)C1	2313598557	GMUSKGGHKIDYEH-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCN([C@H](C)CC2CCC2)c2ccccc21	2313654528	KEWMUALQOMVIAQ-ZIAGYGMSSA-N	243.394	4.579	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C(CC1CC1)CC1CC1	2313686529	NABQICCNQFFDCM-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](N)CCCc1ccccc1	2316247466	DZNFWZFWLUHQAB-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
CC(=CCNC1(C2CC2)CCC1)CCCC(C)C	2316495426	FFUZKLCLFPWIEA-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CCN(C)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2316516568	IJUXPWGHZSFOPA-YESZJQIVSA-N	249.442	4.633	0	10	BJAE	
C1=C(CCCN2CCCC3(CCC3)C2)CCCC1	2318594102	BYNZBUBLMYYQDI-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)C[C@H]2CCC(C)(C)C2)c1	2319314019	QYCCTUXACOXKPE-ZBFHGGJFSA-N	246.394	4.553	0	10	BJAE	
CN[C@H](CC[C@H]1CCC(C)(C)C1)[C@@]1(C)C=CCC1	2321602014	DBGIHRGMEGSTRN-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@]23CCCC[C@@H]2C3)C1	2321634783	VFTUJTPXLYKIMB-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](c1cc(C)ccc1C(C)C)C(C)(C)C	2327680110	CKPDZGXPEQXYEG-INIZCTEOSA-N	247.426	4.815	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC[C@@H]2C)c1F	2327766415	DQPFKAGGIURPBW-GXTWGEPZSA-N	249.373	4.940	0	10	BJAE	
CC(C)c1ccccc1NC1CCCCCC1	20007700	ZBFIHNDDVSSIMB-UHFFFAOYSA-N	231.383	4.945	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(C)cc1C	21029691	VXDCWZGLGLJWBR-IUODEOHRSA-N	233.399	4.930	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@@H]2C[C@@H]2C)c(C(C)C)c1	21516090	COWIBGGUJLBBGL-VUCTXSBTSA-N	245.410	4.589	0	10	BJAE	
CCC[C@@H](C)N[C@H](C)c1ccc2ccccc2c1	21792660	WSLASGMVPWJEQK-ZIAGYGMSSA-N	241.378	4.679	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H](C)CCC(C)C	21809549	XOCPHBCXONRZQY-LSDHHAIUSA-N	227.436	4.616	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(C)c(F)c1	21809769	SVVMFLVTGHARSE-WCQYABFASA-N	237.362	4.761	0	10	BJAE	
CC[C@@H](C)c1cccc(C2CCCC2)c1O	33611092	BMHWAWBPZQGJIJ-LLVKDONJSA-N	218.340	4.563	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1C)C1CCCC1	35579713	ABKFOQPCPKKGFI-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCCCCc1cc2ccccc2o1	38283629	OGDZHUDUFYCJMK-UHFFFAOYSA-N	202.297	4.556	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc2oc(C)nc2c1	69371166	FBFSSHOZJLMFRG-LBPRGKRZSA-N	246.354	4.517	0	10	BJAE	
CC(C)(C)c1cccc2c1NC[C@@H](C(C)(C)C)C2	71175151	CSOWYXKDMFEVNG-ZDUSSCGKSA-N	245.410	4.614	0	10	BJAE	
Cc1cccc(Cl)c1NC1CCC(C)CC1	85388108	MCLBPYRUHSTCTN-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@@](N)(CC)Cc1ccc(C(C)C)cc1	86567067	YMSJTWQVJZMHGM-KRWDZBQOSA-N	247.426	4.650	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCC(C)(C)C1	87770872	HLJLOSXIUYSXQC-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C1CCC(C)(C)CC1	87943145	RZYDPGYGHQVTDR-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@H](O)C2CCCCC2)CC1	87960659	FCFDZSQBZQUWHA-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCC(=O)c1cc2cc(C(C)(C)C)cc(C)c2o1	88071874	YFATTYVSVWQKSG-UHFFFAOYSA-N	244.334	4.631	0	10	BJAE	
CC[C@@H]1CCC[C@H](Sc2cc(C)ccc2N)C1	91933917	GVCPFPWODWBHLG-OLZOCXBDSA-N	249.423	4.638	0	10	BJAE	
CCC[C@H](CC)n1c(=S)[nH]c2ccc(C)cc21	94660233	YTWDZTXNLUZWCB-NSHDSACASA-N	248.395	4.759	0	10	BJAE	
CCSc1ccccc1N[C@@H](C)c1ccoc1	94869002	MRTWVROHIKEZEM-NSHDSACASA-N	247.363	4.565	0	10	BJAE	
Cc1cccc(C)c1OCc1cccc(Cl)c1	105574070	GBTOONYSIYPMBR-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC[C@@H](C)c1ccc(NCC2CCCC2)cc1	109786635	AOYAJSKWHOVNBE-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
CCC1CCC(N)([C@@H]2CCCC[C@H]2CC)CC1	111745655	DUVUPIZZYQQWGZ-LVDPKSTMSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)Nc2ccsc2)c1	148377370	UXBRYXZXCMLHCS-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@H](CC(CC)CC)C1	150043494	RAUYEWNWBOHODL-OWCLPIDISA-N	239.447	4.604	0	10	BJAE	
CCC[C@@](O)(c1ccccc1)C1CCCCCC1	167610173	JESRFWGATDGYSG-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CC[C@H](C)CC(=O)c1cc2sccc2s1	168049035	NTAULMQOSONGAZ-QMMMGPOBSA-N	238.377	4.582	0	10	BJAE	
CCC[C@@H](N[C@H]1CCC[C@@H](C)C1)c1ccccc1	216376127	INDTZGVJOJSOOG-HYVNUMGLSA-N	245.410	4.696	0	10	BJAE	
CC1(C(=O)c2sccc2Cl)CCCCC1	232835675	NKCCZPZKGFWAJQ-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C1(C)CCCCC1	233122225	ZMSLZVRCCPXNBF-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@@H](CNC(C)C)c1ccc(C)cc1	233346938	AHOURQABUHWZDF-DOTOQJQBSA-N	247.426	4.513	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CC[C@H](C)CC1	253108775	CKTXWCCRYLWFBL-RBSFLKMASA-N	225.420	4.514	0	10	BJAE	
CCC[C@@H](F)c1ccc(C(C)(C)C)cc1	260376743	DJXCDGNLJUCWLO-CYBMUJFWSA-N	208.320	4.795	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1c(C)cccc1C	300463690	FROKYYKJAYQLHX-HOTGVXAUSA-N	247.426	4.910	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@@H](C)[C@H]1C	300691177	QRXXHFLCTVDHDW-LVQVYYBASA-N	239.447	4.760	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@@H](C)CC(C)C	301010064	YPRYRFAKGAFFQE-ZFWWWQNUSA-N	228.420	4.636	0	10	BJAE	
CC(C)NC[C@@](C)(CCC1CCCC1)C(C)C	302271359	RGLRPHUJCRTGBV-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cc(CC)ccc1CC	302429972	SAUVXCHXMYCOPU-GUYCJALGSA-N	248.410	4.671	0	10	BJAE	
CCc1ccc(O[C@H]2/C=C/CCCCC2)cc1	302545218	ZCUUETPRCDXTAK-VFADXPBXSA-N	230.351	4.517	0	10	BJAE	
C[C@@H](CNc1cc(F)cc(Cl)c1)C(C)(C)C	304274098	KZDLJCACNAIEQM-VIFPVBQESA-N	243.753	4.573	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@H](C)CC(C)C	305926782	IYTCAPMGZIMHSN-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc([C@H](CCC(C)(C)C)NC)cc1	305965324	XRAMGRDNJBCJTH-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@](C)(O)CCC(C)(C)C)C[C@H]1C	306058007	RQIQWSDAHAXPFX-NYTXWWLZSA-N	240.431	4.636	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H](CC)CC(C)C)c1	308057754	RYMWYKKATBUYHI-HNNXBMFYSA-N	246.394	4.894	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@@H](C)C2)cc1C	310061521	SIKAENQLUMQLLR-DOMZBBRYSA-N	231.383	4.548	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2C=CCCCCC2)s1	310065653	DQKCGSWBHHKDKD-UONOGXRCSA-N	249.423	4.596	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCCCC(C)(C)C	313281037	KFPQPWIVWUJENG-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@@]1(CC(CC)CC)CCC[C@@H]1C	317699515	DBHJFXNGYNCZJT-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@]1(CNC(C)(C)C)CC[C@@H](C)C1	318021918	OJDDAZBETZLNDK-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@H](C)n1ccc2cc(C)ccc21	319526179	GLFRYWDQOZMYKK-OLZOCXBDSA-N	215.340	4.557	0	10	BJAE	
CCC[C@](O)(C1=CCCCCCC1)C1CCC1	322745886	AHIWZDYRQCZHLM-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](C)NCC/C=C/c1ccccc1	323843398	NTKUKTZHWXYPBG-SCZPIIQISA-N	245.410	4.648	0	10	BJAE	
CCCCC[C@@H](CC/C=C/c1ccccc1)NC	324270064	LBXNZJMRGDBPJU-VEMDQMBVSA-N	245.410	4.648	0	10	BJAE	
CCCC1([C@H](N)c2ccc(C(C)(C)C)cc2)CC1	382152745	JKSZWQGXXWQXGQ-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)CC2=CCCCC2)C1	383463601	JVELEDQYXNUOHP-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CC1([C@@H](O)CCC2=CCCCC2)CCCCC1	386207884	CZJWLFDNMGAAEK-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@H](O)c2ccc3sccc3c2)CCC1	386520048	DOTILQOKUIFTCX-ZDUSSCGKSA-N	246.375	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](/C=C(\CNC2CC2)C(C)C)C1	394530619	XLNYTBQOISWSGX-AJMXMICASA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](NCCCC1CCCCC1)C1CCC1	395224927	PHAOLBCFKJRQGP-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)CC(C)(C)c1ccccc1	686745618	XNBSPUGGUURBRU-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCC1(C)CCCC1	691169100	DDTYOOTWXARVMA-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21	691669192	PDTOHRYDTBZOJU-KFWWJZLASA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1CC2(CCC2)C1	691982016	HQPNYSAQFVNOBB-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
FC1(F)CCC[C@H](CCC2CC=CC2)C1	692101510	CPAJGECVMBBUIZ-GFCCVEGCSA-N	214.299	4.558	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@@H]2CCCC3(CC3)C2)CC1	695688775	IKNCWSOUADKQPL-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CCC1CC1)NC1CCC(C2CCC2)CC1	695929128	GNUDZISZHKIWFM-NVPAJSRCSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@H](CC(C)(C)CC)NCCC	696269940	YVWJXURMHHBBFB-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CCCC[C@H]1C(C)C	696799302	KDHBFHHVZYLUEX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC(C)C)(CC2CC=CC2)C1	700968098	CXSFETGRUKDRPR-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCCc1cc2cc(Cl)ccc2o1	704723140	KGKNEQQJLXRAAX-UHFFFAOYSA-N	234.726	4.985	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2CCCC23CC3)CC1	706290416	RCWJAPMYBVQPKF-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)cc1NC[C@H](C)CC(C)(C)C	709106761	VSHQPQNCIWABTB-LLVKDONJSA-N	237.362	4.618	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(N)CCC(C)(C)C	709171962	ZKFWCDNWABAXPT-CJNGLKHVSA-N	241.463	4.993	0	10	BJAE	
CC[C@H](C[C@H](N)CCC=C(C)C)C(C)(C)C	711211332	BWWXQMGVGFQBQS-ZIAGYGMSSA-N	225.420	4.523	0	10	BJAE	
CC1(C)CC[C@H](N[C@H](C2CCCC2)C2CCC2)C1	711832687	OVIQXGZOZCWXLU-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC1CCCCCC1	713131078	FEZXBOMZVFTBLI-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(O)C[C@H](C)CC(C)(C)C1	713148202	YVSPXZNLHNUHND-CZUORRHYSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](N)(CC(C)(C)C(C)C)[C@H]1CC1(C)C	713177022	XJWWIRMNYPOAAG-BBRMVZONSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC2(C3CCC3)CCC2)C1	717884502	HRQKCZNLZILRKU-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NC2CCC=CCC2)CC1	718052657	LGVBDYPZBGXOBG-DOTOQJQBSA-N	249.442	4.824	0	10	BJAE	
CCNC[C@H]1CCCC[C@@H]1CCC(C)=C(C)C	718498211	WBDYEWDOMKQQOU-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCOc1ccccc1CCC(C)=C(C)C	718646694	HXJISPCDDKMXQW-UHFFFAOYSA-N	232.367	4.764	0	10	BJAE	
CC(C)=C(C)CCc1ccccc1Cl	718747265	KKALYUBKVOZLFZ-UHFFFAOYSA-N	208.732	4.629	0	10	BJAE	
C(CCC1CC1)CN[C@@H](C1CCCC1)C1CCC1	720215543	DEXSNKVBQJSELL-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](O)c1cscc1C(F)F	720224884	AGQQPUWPHNWWNP-LLVKDONJSA-N	248.338	4.545	0	10	BJAE	
CC[C@@H](C)c1cc2cc(F)ccc2nc1Cl	722208499	NFBDQLXEYIVQEH-MRVPVSSYSA-N	237.705	4.541	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC2CCC=CCC2)CC1	1658048682	OHZIISJEIGPBIO-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC(C)(C)C)NC[C@H]1CCC=CCCC1	1665879648	FMHNXSPPBDUDBR-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCc1ccc(CC2CC(=C3CC3)C2)s1	1900669987	XLNBMRGHXJUXNU-UHFFFAOYSA-N	232.392	4.744	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC=C(C)CC	1900847023	CJOLMARPGDLABA-HNNXBMFYSA-N	225.420	4.633	0	10	BJAE	
CC[C@H](N)CCCC=C(C)CCCC(C)C	1900850459	ZCRIMJZOUYYMJL-HNNXBMFYSA-N	225.420	4.667	0	10	BJAE	
CCc1cscc1N[C@@H]1CC(C)(C)C[C@H]1C	1902391345	SLLICIIDCNHDMF-ZYHUDNBSSA-N	237.412	4.547	0	10	BJAE	
Cc1sccc1OCC[C@@H]1CCC(C)(C)C1	1904937008	RVQXRRQMVHNGDE-LBPRGKRZSA-N	238.396	4.652	0	10	BJAE	
CCCC[C@@H](CC)CC(C)=CCCNC1CC1	1905733247	RTGMAYSZZIHFOC-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H]1CCC[C@H]1C(C)C	1907595391	XVYBIQYMBAREEE-SOUVJXGZSA-N	238.415	4.700	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@H](C)CC(C)C	1911533538	CYJPMNSDMKUZRE-OAHLLOKOSA-N	239.447	4.783	0	10	BJAE	
CCCNC[C@@H](C)CCCC=Cc1ccccc1	1912114333	CKLKHAJLZFDGAI-INIZCTEOSA-N	245.410	4.506	0	10	BJAE	
CC[C@H](N[C@@H]1CCC2(CCCCC2)C1)C(C)C	1915854100	FOCBAPOFTIWZCU-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](NCC)[C@H]1CCC2(CCCCC2)C1	1915908950	TZSZQUXFZFMUON-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@@H]1C(=O)C[C@H]2CC[C@H]1C2	1916078448	FUBHQSQTNFVOIC-KKUMJFAQSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@](C)(N)c1ccc(C(C)C)cc1	1920440821	PWRMSHFTINBRHN-YOEHRIQHSA-N	247.426	4.810	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@H](C)C1CCCCC1	1924077055	YLAPLDDPDPWNCN-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(F)cc(C(=O)[C@H](C)C2CCCCC2)c1	1924099022	PPZWNUHTLXVDKP-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)C[C@H]2CC=CCC2)c1	1925501442	QEPKBEDFXDYYOJ-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
Cc1ccc(F)c(C[C@@H]2C=CCCCC2)c1F	1925823041	CMHWJUQVMTXOSD-GFCCVEGCSA-N	236.305	4.562	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCCC1)C1(C)CCCCC1	1925889567	BKNMSBKUTGKSEQ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@H]2C=CCCCC2)C1	1925946706	VSKAALZTQRMCEF-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)CCN[C@H](C)CCC(C)(C)C	1926144940	NIEZNAJEJSPCMY-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC(=C2CCC(C)(C)C[C@H]2CN)C[C@H](C)C1	1927148046	UVGZTXVNGWMOFK-GUTXKFCHSA-N	249.442	4.524	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1sccc1Cl	1928726395	FOLRGVKHRNRCPB-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CCCN[C@@H](CCC)c1cc(Cl)sc1C	1933586957	IMHLZXQOVAJZPD-NSHDSACASA-N	245.819	4.551	0	10	BJAE	
CCC(C)(CC)C(=O)CC1(C)CCCCC1	1935606033	OWTBICPKCWZBLN-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC1(CC2(CNC(C)(C)C)CC2)CCCCC1	1940405120	FXEWZDPQTHCHEG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCC1(C)CCCCC1)C(C)(C)C	1940416045	PMYOZCCMJPZIDC-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CNC1(C2CCCC2)CC1	1940488537	VUQIDFDUSBVVBP-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccccc1C(C)C	1940617320	XNECVDYRJXHYNV-ZDUSSCGKSA-N	232.367	4.819	0	10	BJAE	
CC(C)(CC(=O)CCC1CCCCC1)C(F)F	1941602889	SZDPHPPRPXNZSU-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](C)CC1(N)C[C@H]2CCCCC[C@@H]2C1	1947856575	GPXURCXKYODBNI-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC[C@H](CC)CC(F)F)NCC	1948428254	FCNIUBVHIFZOCF-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccccc1C(C)C	1950100420	NKHRLOXDBKSQMY-CQSZACIVSA-N	231.383	4.801	0	10	BJAE	
CCC(C)(CC)C(=O)C1CC2(C1)CC(C)(C)C2	1950937138	YMVDOQZISRRCMO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC12CCC(CC1)C2)NCC	1950955672	ROGFBQRSSYZOQY-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cc(F)cc(Cl)c1	1968609849	MWMQDBBCIUWGDS-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CC(C)CC[C@H](C)NC[C@@H]1CCCCC1(C)C	1970080867	ZAKPDIDLZHSTHT-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CC(NC[C@H]2CCCC23CCC3)C1	1973657053	AYYKZOIZRWUBBH-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1CC[C@@H](C)C1	1975785063	PGNSMDMCVCGVQZ-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCCCCNc1ccccc1SC(C)C	1975963864	DKMJWOFELOTHPS-UHFFFAOYSA-N	237.412	4.789	0	10	BJAE	
CCC(C)(C)CCC(=O)CC1(C)CCCC1	1980379809	FIABYWSLGHBBJV-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](N)CC[C@H]1CC[C@H](CC)CC1	1989813200	ZFVAIOSNPRMBAZ-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@](O)(CC)CCCCC(C)(F)F	1993578263	OSDNTQUGRBFMTE-ZDUSSCGKSA-N	236.346	4.533	0	10	BJAE	
CC=C(CC)[C@H](CC[C@H](C)CCCC)NC	1995258448	DQFUDKVNEZSMMA-HIFRSBDPSA-N	225.420	4.537	0	10	BJAE	
CC(C)C(C)(C)CN[C@H](C)C1(C)CCCCC1	1995992291	WRYWZUQPZAQVLM-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@H]1CNc1ccccc1SC(C)C	1996565143	YEMCMVGJYKMDPO-STQMWFEESA-N	249.423	4.645	0	10	BJAE	
CCC/C=C/CNc1ccccc1SC(C)C	1996570428	NSJDTRNFLMCPKW-RMKNXTFCSA-N	249.423	4.955	0	10	BJAE	
CCCN[C@H](C(C)C)[C@@H](CC)C1CCCCC1	1996595216	UBDBFTZICIINTH-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC1(CC(=O)C2CC(C(C)(C)C)C2)CCCC1	1998234866	ODDCHFTUVNIEPP-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1ccc(C(C)(C)C)cc1	1998753345	UZCQXWAJQRZGCI-DOMZBBRYSA-N	231.383	4.585	0	10	BJAE	
CCC[C@@](O)([C@H]1CCCC(C)(C)C1)C(C)(C)C	2000037436	HZWSSYODSOGXMP-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@@H]1CCCC(C)(C)C1	2000044026	GDXQITXYFXDLCV-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H]([C@H]2CCCC(C)(C)C2)C1	2000095963	DNQPNBHLDFOYLX-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(CNC)C[C@H]1CCC[C@@H](C)C1	2000513412	UBNMEQRRYLMTPC-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCOC(=O)[C@@](C)(CC)CCCCCC(C)C	2000649205	ZRZIVDKKMLLVEW-HNNXBMFYSA-N	242.403	4.572	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@H]1CC12CCCC2	2001216329	POCBQHJGAGUGRL-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C1CC(C(C)(C)C)C1	2002324401	GCOJEVLEYLDQKS-IYXRBSQSSA-N	238.415	4.844	0	10	BJAE	
CCC1CCC([C@](C)(N)CC2(C)CCC2)CC1	2002929505	MWOWOIYJVYHUKV-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)[C@@H]1CCCC(C)(C)C1	2003004571	GTJXYSWABIGTNE-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CN[C@H]1CCCCCCC[C@@H]1CCCC(C)C	2003116255	HTGMTKDXZTTWLJ-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@@H]1CCCC2(CC2)C1	2003191634	PODTWAOWIOAAPA-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCCC(F)(F)C1	2003211783	QRAUYTMUJYCWDG-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)[C@]1(C)C=CCCC1	2003335149	QUWQCJCIGJHJFO-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C(=O)CCCCC2(C)CC2)cc1	2003646639	PULBETMILNAIMF-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCC1CC(CC(=O)[C@H]2CCCCC2(C)C)C1	2007765531	KBKWEIGRXNGCEA-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@@H](C[C@@H](C)CC(C)(C)C)NCCC	2007862847	QPLNGDZWWBDPEB-UKRRQHHQSA-N	239.447	4.783	0	10	BJAE	
CCCSc1ccccc1NCCC1(C)CC1	2009543826	JYIZAQPFUVADCG-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CCC1(C)CC1)NCC	2009553298	YSDVMVWJMLXSHR-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@]1(CNCC)CCCC[C@H]1C	2009630757	XOKJJADASFLKMG-RKIWFNSJSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@@](C)(O)CC1CC(=C2CCC2)C1	2011057791	SQANHUXRWVVCDU-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
c1cc(CC2CC(=C3CC3)C2)c2sccc2c1	2011090861	TXOMRWICAGMXMX-UHFFFAOYSA-N	240.371	4.944	0	10	BJAE	
CCCCCC[C@H](NCCC)C(F)(F)C(C)C	2012976798	HGBCOSHRFANIDQ-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC1(C)CCCCC1	2013264848	QJNJCYOXYHAQKS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(CC[C@H]1C[C@H](C)CCC1=O)C(C)C	2015386692	FCTXXPDFQFJJDT-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CCCNC[C@H](C)[C@@H](C)CC(C(C)C)C(C)C	2015407553	BTOHNLJJHCTDJC-GJZGRUSLSA-N	241.463	4.577	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC1(CCC)CCC1	2015640768	WDUFAGYXEOFJPA-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNC(C)C)CC[C@H](C)C1	2017466343	LHDFKNSWYPITBI-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(O)(C[C@H]2CC[C@H](C)CC2)C1	2017650149	DFELPFAFWCKDTL-MSBXVQKDSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C[C@H]1CC[C@H](CCC)CC1)NC	2017722068	DFKIRJBHPWVPHV-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](C[C@H]2CC[C@H](C)CC2)C1	2017773864	GTRHGKQLMSTTQS-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(C[C@H]2CCCC(=O)C2)CC1	2017776654	RVZBXIQOPBJLAE-YMAMQOFZSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cc(F)cc(F)c1	2018128214	XHSZCXVYHYBDDB-CYBMUJFWSA-N	241.325	4.736	0	10	BJAE	
CCC1(C[C@](C)(N)[C@H]2CCCC(C)(C)C2)CC1	2018915145	CWJTYKUHOPZGCI-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@@H]1CCC[C@H](CC)C1	2019198820	IZWVNUOKYKQDDI-HRCADAONSA-N	239.447	4.856	0	10	BJAE	
CCC[C@H]1CCCCN1CCC1=CCCCC1	2019344703	QQDNCYPKZVHHGR-INIZCTEOSA-N	235.415	4.532	0	10	BJAE	
CCC(C)(C)CCN1CCC12CCCCCC2	2019382061	LCQRZFVKPPPXRW-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCN(CC(CC)CC)C1CCCCCC1	2020508071	OCHGDLAVFIBZGG-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC1(C)CC[C@@H](O)[C@H](CCCCCC2CC2)C1	2024144894	AZHGXXDIKIGNJK-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](NC)c1ccccc1C(C)C	2027518753	VOWXICNIJUGLNM-GRDNDAEWSA-N	247.426	4.753	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)c1cocc1C	2027823644	XFVROTPYDCPSHP-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)c1cccc(C2CC2)c1	2028548713	GHXGRMXXNBYFMH-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCCC1([C@@H](O)c2cccc(C3CC3)c2)CCC1	2028553212	WVIWSDRRAKWJRW-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)c2ccc(C3CC3)cc2)C1	2028590234	HSINQIVAAZPYAC-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
Cc1cc(F)cc(C(=O)CCCCCC2CC2)c1	2028632412	ZHBOYVWPIWPVIO-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc(C2CCCC2)cc1	2031743035	AZQQXEPDKLPKAQ-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@]12CCCC[C@H]1CCC2	2031754020	GGBIHOTTWYJGAX-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
C(CCNC1CCC2(CCC2)CC1)CCC1CC1	2032191457	YNMUHTWFCYILBH-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H](Nc1cccc(C2(C)CC2)c1)c1ccco1	2032247534	SEEYNYDJTRVNLT-LBPRGKRZSA-N	241.334	4.504	0	10	BJAE	
CC1(CN2CCCCC23CCCCC3)CCCC1	2032664223	TWIMLIHHXUWRBW-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CC[C@@H]1CCc2ccc(C(C)(C)C)cc2C(=O)C1	2034181451	FNLZJWPUSWEXMI-GFCCVEGCSA-N	244.378	4.529	0	10	BJAE	
C[C@H](NC1CCCCCCCCC1)c1ccco1	2035889251	DBDBBPLPQOODAH-AWEZNQCLSA-N	249.398	4.823	0	10	BJAE	
CCC[C@@H](CCCC=Cc1ccccc1)NCC	2036959359	QNFJOPDCWFMOGJ-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)C[C@H](C)c1ccccc1	2037106602	KBYOOROBZJNLCO-ZOBUZTSGSA-N	247.426	4.580	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CNC3(CCCCC3)C2)C1	2037720222	GKLKNKAZZALRJR-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)[C@@H]1CC12CCCCC2	2039005905	LVGGJLJEYKEZTE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)CC12CCC(CC1)C2	2039416651	XELDKQRCQOLZAW-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC1CC1)CC12CCC(CC1)C2	2039422659	WKRQSCTWKASSSB-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CCC1=CCCCC1	2039433722	DPRFUWDAKPMOFZ-UAGQMJEPSA-N	247.426	4.587	0	10	BJAE	
CCC1([C@H](NC)c2cccc(C(C)C)c2)CCC1	2039721023	ZKFXIRHOJWRRRM-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
O[C@]1(CC2CCC=CCC2)CCCC2(CCC2)C1	2041301454	XASWQGQYPMONBH-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@@]1(C)CC=CCC1	2042073629	BXVBYDWQQXNGFR-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC(=O)[C@@]1(C)CC=CCC1)C1CCCCC1	2042087911	XYFOWMACZAKQFT-YOEHRIQHSA-N	248.410	4.908	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC=CCCC1)C1CCCC1	2045304845	JNJVSPWQTOSAAD-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCc1ccccc1NC[C@H]1CCC=CCCC1	2045328776	IBWPFBDYYNJAHN-HNNXBMFYSA-N	243.394	4.797	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC1CCC=CCC1	2045568693	BJMMOIDJGSHGCS-HOTGVXAUSA-N	248.410	4.908	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@H]1C=CCCCC1	2045982906	XZRXAPZWHZNMPA-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C2(N)CC3(CCCCCC3)C2)C1	2046232611	ARLUIRWKMUHHRD-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CCCCN(C[C@@H]1CCC[C@@H]1C)c1ccccc1	2046579536	RJAOQJVPKCWZAA-HOTGVXAUSA-N	245.410	4.729	0	10	BJAE	
C1CCC(CC[C@@H]2CC[C@@H]3CCCN[C@H]3C2)CC1	2048094696	JHPCVCNXTUSHLM-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](Nc1cccc(F)c1)[C@@H]1CCCC(C)(C)C1	2049530550	XLDUFTCMWBOQSX-CHWSQXEVSA-N	249.373	4.843	0	10	BJAE	
NC1(C2[C@H]3CCCCC[C@H]23)CCCCCCCC1	2049669308	IVIFKDLWUXLRQI-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
O=C1[C@H]2CCCCCCC[C@H]2C12CCCCCC2	2049672196	KDYDAGURHKXQCA-LSDHHAIUSA-N	248.410	4.886	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@@H]3CCC[C@@H]32)CCC1	2049682613	WOMFCSANCGJCMM-BHYGNILZSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(C[C@@H]2CCCC3(CC3)C2)C1	2049852459	DWNVPAKOBUXSJL-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@@H]1CCC2(CC2)C1	2049955377	UIFRNVXVYFFQHK-OFQRWUPVSA-N	246.394	4.518	0	10	BJAE	
CCCC(CCC)CN[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2052167237	FMABCXLWNVNUIQ-BJWYYQGGSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCC[C@H]2CC[C@@H]21	2052279447	ITRNQFGPIGHJHT-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c([C@H](N)C=C2CCCCC2)c(C)c1	2056872432	CPJZDGINPJJUBD-MRXNPFEDSA-N	243.394	4.502	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@H](C)C1CCC1	2060920823	HHWBOZYPMCTTFQ-VBQJREDUSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1=CC[C@@H](C)CC1)CC1CCCCC1	2060931480	ZXCQHOVIZMNXLI-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)C1=CC[C@H](C(C)C)CC1	2061110979	NSMHBCBIIOULSG-BHYGNILZSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C2=CC[C@H](C(C)C)CC2)C1	2061121237	DSYULWDRBOCECB-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@]1(C)C[C@H]1C	2061142331	BUNZTMOWRNNKGB-YALNPMBYSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC[C@]12CCC[C@H]1C2)C1CCCCCC1	2061574195	DXPNTHYIKZZNJQ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CC[C@@]23CCC[C@H]2C3)C1	2061601591	IOVICUVPMUWQLQ-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1CC(=C2CCC2)C1)NC	2061723558	RUEXTJOUYFIXJA-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H](CC1CC(=C2CC2)C1)NCC	2061731167	QEHKQHFIPCGKDT-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCc1ccc(CC)c([C@H](N)C(C)(CC)CC)c1	2061869681	NVYZHDUKICUJJK-INIZCTEOSA-N	247.426	4.638	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063489169	XMWGZNBBVXUIBN-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NCC1CCCCCC1)c1occc1C	2063680785	LRZCXYPGZXKGQH-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C12CCCC1CCC2	2063831205	TWVJKMFFCHNTBY-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)CC2C[C@H]3CCC[C@@H]3C2)CCCC1	2067530204	ONUSDRGCUKPCBO-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)C)c1ccccc1C1CC1	2068820292	PZUDLQODIUVRJN-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2CC23CCCCC3)CC1	2069506014	WKUDAUYNEIJPKV-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@]23CCC[C@@H]2C3)CC1	2070928378	ZEDRZLHFIVMTFJ-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)C2CCC3(CC2)CC3)CC1	2072798866	NPDAFZXRCYUAJO-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCC(C)(N)CC2)CC1	2072820796	JFWVCYAASFCILE-SWHGDLNTSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2[C@H]3CCCCC[C@H]23)CC1	2072875088	KEPYWVJROLVODS-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2CC(C3CCC3)C2)CC1	2072881788	NEQNROMBZJJRCW-IIBAXKJTSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@]23CCCC[C@@H]2C3)CCC1	2074021167	PEQLISYAZVGFJQ-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](O)C[C@@H](C)c2ccccc2)CC1	2074619227	NYOCWFINRGVUMB-ZBFHGGJFSA-N	246.394	4.512	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@@H]1CC12CCC2	2074647556	YWWWOXKZJSAVFZ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CN(CCC1=CCCCC1)[C@H]1CCCCC12CC2	2075145463	HUDLUZOKWYNRPA-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CC(C)CN(C[C@H]1CCC=CCCC1)C1CCC1	2076744193	WKQLZEJMNKOKRT-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccccc1C1CC1	2077261969	JISFTWHQKOUFLX-BBRMVZONSA-N	243.394	4.945	0	10	BJAE	
CCN([C@@H]1C=CCCCCC1)[C@@H]1CCCC1(C)C	2078725608	UMHLANUMMDJEGW-HZPDHXFCSA-N	249.442	4.776	0	10	BJAE	
CC1(C)C[C@@](C)(C[C@H]2CCC3(CCCC3)C2)CN1	2078854780	BUPCMRFBLJXIIN-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCC1)[C@H]1C[C@H]1C1CCCCCC1	2079473295	KCFMBRXKALYXDU-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC1(NC[C@H]2C[C@@H]2C2CCCCC2)CCCCC1	2079639299	HWGDCAGGICTNET-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1ccccc1C1(C)CC1	2079650989	NRNFPANGUFRHPB-KBPBESRZSA-N	243.394	4.586	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2081133526	RBOJWXAPLNBMIH-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C=C2CCNC2(C)C)CC(C)(C)C1	2082991857	UVZBJMLFSIEVTI-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(=O)CC2=CCCCC2)c(F)c1C	2083347636	VCHNFNUBDBSGIG-UHFFFAOYSA-N	246.325	4.516	0	10	BJAE	
CCCC[C@@H](C=C1CCCNC12CCCC2)CC	2083816287	RRWQEZWTCRSWBR-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](Nc2ccc(C3CC3)cc2)C1	2085245099	QPVGAJMZHVNTCS-WBVHZDCISA-N	243.394	4.801	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCCC(C)C)CC1	2211856826	ODVSUOZFPAAXCO-OAHLLOKOSA-N	222.372	4.518	0	10	BJAE	
CCCCC(C)(C)NCCCCCCC1CC1	2213572655	YSCHLNDJOMWUES-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1(C)CC(C)(C)C1	2215432434	MGWFWUIDLLUGKK-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCC[C@H](C(C)(C)C)C1	2216247283	KXHJZAONOGOXDE-HMRWBYCRSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CCC[C@@H](C(C)(C)C)C1	2216258463	PWZDXLFWJKBNOF-XQLPTFJDSA-N	239.447	4.616	0	10	BJAE	
CCC[C@](O)(CCCCC(F)F)C1CCCC1	2216456031	CXOQSUGTQQBPGY-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
CC(C)CC[C@@H](O)CCCCCCCC1CC1	2216893943	LXEIRFOEYVWGAU-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@]1(CN[C@@H](C)CC)CCC[C@H](C)CC1	2217123886	CEMGIBNBPOJQAY-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@]1(CN[C@H](C)CC)CC12CCCCC2	2217142436	WFIMDYIHWQFLQF-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218344453	VNTZPNLEOVRVJW-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)[C@H]1CC=CCC1	2218720734	LSRLMLAIZVDICO-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@](O)(C/C=C/c1ccccc1)CCC(C)C	2219064395	AAGLOWSVGVNELP-VGMNTSGFSA-N	246.394	4.667	0	10	BJAE	
CC[C@H]1C[C@H]1CCC1(N)CC(C2CCCCC2)C1	2220872797	DLWJJPCTBZNWOG-DFULUXCASA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)CC[C@@H]1C[C@H]1C	2220963522	SUVVWSFFYGCLBL-ZIAGYGMSSA-N	244.378	4.504	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CC[C@H]3CCCC[C@@H]32)C1	2221041320	RSJSVRBBKJWAIX-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C1CCC(C)(C)CC1	2221926935	AXHTUSFPJLDVHD-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@@H](C)c1ccc(C)cc1	2223968673	MENQXWBEFQJFJL-YOEHRIQHSA-N	247.426	4.513	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)C[C@@H](C)C(C)(C)C)cc1	2223968906	NOSSBPMHWULXNE-ZIAGYGMSSA-N	246.394	4.740	0	10	BJAE	
CCCC[C@H](O)CCCCCC[C@H]1C[C@H]1C	2243901674	GAHCJZOTONWKOS-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1ccc(C)cc1Cl	2244786242	YZIIMBLPDSRRFD-SMDDNHRTSA-N	240.774	4.508	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](C)c1ccc(C)s1	2244800329	LWIBJUOVRHODNU-QWHCGFSZSA-N	239.428	4.533	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC[C@@H]1CCCC12CC2	2247609233	LJIVPLDIUXBLKN-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)CCCCC[C@H]1C[C@@H]1C	2248846952	WYDUUIWFUPSBLO-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)CC(=O)CCCCC[C@@H]1C[C@H]1C	2248865107	GUNPNXHCUMIJPT-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)c1ccc(C2CCC2)s1	2250282282	VWRQOUPNYAJCBJ-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC1C[C@@H](C)C[C@H](C)C1	2250351300	BQOWPTCPTOREEZ-DARAHFNDSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@H](CC)CCC	2250359535	SEVQNJIEDOEANP-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C[C@@H]1CCCCN1	2250478270	HENOVNMVUBKCQN-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@]1(C)C=CCC1	2250492711	XABQHKAMRSKECW-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@]12CCC[C@H]1CC2	2251130753	UTOYVRXPCUJLTK-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@H](N)CC1CC(CC(C)(C)C)C1	2251492030	JUCPSTQPURRUII-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@@H]1[C@H](O)C(C)(C)CCC1(C)C	2251710637	CROWPQQCNOONJU-OLZOCXBDSA-N	240.431	4.636	0	10	BJAE	
C1CCC(CC[C@@H]2CN[C@@H]3CCCC[C@H]3C2)CC1	2253813204	GXCCGDNTWLFVAC-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@](N)(CC[C@@H]2CCCCC23CC3)C1	2253840813	UAIFCKJGKIUGQS-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)C[C@]23CCC[C@@H]2C3)C1	2253930484	MWFJYWVSQDADPC-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H]1CCNC2(CCCC2)C1	2254523143	RBMWGVRXUCCSEB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CC[C@H]2CCCC23CC3)C1	2255258628	KIZNLJCEKBAIPX-BZUAXINKSA-N	249.442	4.502	0	10	BJAE	
Cc1cccc(F)c1NCCCCC[C@@H]1C[C@@H]1C	2257329100	SHEOVRSSAASMFG-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1ccc(C2(C)CC2)cc1	2259446934	IVOGGGYJSMSJHS-XJKSGUPXSA-N	246.394	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1ccccc1C1(C)CC1	2259449565	WHZFFILFCFFVDU-CZUORRHYSA-N	246.394	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@]23CCC[C@H]2CC3)CC1	2260513054	RRAIWIBWMZRMNJ-JKQORVJESA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1cccc(C2CCCC2)c1	2260732203	WEZVNCNMRADLGI-GUYCJALGSA-N	243.394	4.945	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1cccc(C2CCCC2)c1	2260732204	WEZVNCNMRADLGI-SUMWQHHRSA-N	243.394	4.945	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@]12CCC[C@@H]1CC2	2298703311	FSXXDAFHQZWYGA-OAGGEKHMSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](CC(=O)[C@@H](C)CC1CCC1)C(C)(C)C	2298905844	UUFDJCDNPFMRQG-JSGCOSHPSA-N	238.415	4.844	0	10	BJAE	
CCCC(CCC)NC(CC1CC1)CC1CC1	2300146692	KRZVVXRSZSTYSV-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@@H]1CCC[C@H](C)C1	2300685720	ICGKILIGIUNSPF-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1[C@@H](CCC(CC)CC)CCC1(C)C	2300686660	SXSCEGUQEOVZNE-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(=CCNC1(C)CC(C)C1)CCCC(C)C	2300860585	IZTLTMMJICYVPS-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@H](O)[C@@H](C)C1CC1)CCCC(C)C	2300928161	CCWFQEZNEUJJAV-HOCLYGCPSA-N	238.415	4.556	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CC2CCCCCC2)CC1	2301138664	YMGRZTUHSTZJCJ-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1cccc2ccsc12	2301827490	BRVVNKYYGSNAEN-NWDGAFQWSA-N	247.407	4.994	0	10	BJAE	
CCCN[C@H](C[C@@H](C)[C@H](C)C(C)C)C(C)(C)C	2301833882	UVIXJPYXPDKJLT-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1[C@@H](C(=O)CC2CCCCCC2)CC1(C)C	2302079607	JPOSXSPTZLLLHE-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC1([C@@H](O)CCCC2=CCCCC2)CCCC1	2302332180	SPEDZOPLSLABGI-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CCCC(N)(CCC)CCCC1=CCCCC1	2302332669	XHMMFTKNPKPGEW-UHFFFAOYSA-N	237.431	4.955	0	10	BJAE	
CCCC1(C[C@H](N)CCC[C@@H]2C[C@@H]2C)CCC1	2302613944	WWBWQGQCZBSYNU-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCc1cscc1N[C@H]1CCCC2(CCC2)C1	2302883560	XVPKTZYVBDMGPD-ZDUSSCGKSA-N	249.423	4.835	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@@H]1CC[C@H]1C(C)(C)C	2303443002	QIOWXAGIPJPDPK-MGPQQGTHSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC[C@H](CC)CC1	2307821654	DLVHQIIAJCLXAO-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)[C@@H]1CCCC(C)(C)C1	2307923210	RMGYLTLGBYKSAE-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CC2(CC(C)C2)C1	2307926788	QYOSAAGJEVUAJK-VGMSBNRJSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@H]1CCC[C@@H]2C[C@@H]21	2309959948	IXTKFIDLCYSQHQ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC[C@@H]1C[C@H]1C)C[C@@H]1CCC=CCCC1	2311276111	PRMGNXHZWUDREM-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](N)c1ccc([C@@H](C)CC)cc1	2311535556	GKGDTSTYEOUNTI-WBQNTZJQSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313181386	QGFGDCQVRWVOHL-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1C(N)(C1CCCCC1)C1CCCCC1	2316417019	XFKMHDWYSOTNRE-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CCCCCc1ccc(NC2[C@H](C)C[C@H]2C)cc1	2316593411	WOCGFWYBVOJZIQ-ZIAGYGMSSA-N	245.410	4.876	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1CCC[C@H]2C[C@@H]12	2316880486	JYUYZXFNPBGECZ-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C[C@H]2C[C@H]1CC21CC1	2317123425	DKYQWQUGNKNVIC-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)Nc1cc(C)c(OC)c(C)c1	2317381284	FSAWYQQRDXTTOT-UHFFFAOYSA-N	249.398	4.693	0	10	BJAE	
C[C@H](CC1CCCC1)NCCCC1=CCCCC1	2318520769	AFZULHSIFWKFBH-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(N)CCCC1=CCCCC1	2318566368	WVSBLLQUZOFCHN-HLLBOEOZSA-N	249.442	4.811	0	10	BJAE	
C[C@@H](CN(C)CCCC1=CCCCC1)C1CCC1	2318581458	WXOZCGLQVLGPGJ-HNNXBMFYSA-N	249.442	4.635	0	10	BJAE	
CNC[C@]1(CCCC2=CCCCC2)CC=CCC1	2318598947	VCQKNAOODWXPCL-QGZVFWFLSA-N	247.426	4.603	0	10	BJAE	
CCCC1CCC(CCC23CC(CCN2)C3)CC1	2318798529	WMDXTWDAXIBXNP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C[C@@H]2CC[C@@H]2C2CC2)C1	2319578846	MLEPKVFSKHSBDC-IVMMDQJWSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@H]1CC[C@H]1C(C)(C)C	2320100164	AFEKNKJNEOICPZ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)[C@@H]2CCC(C)(C)C2)CC1	2320340780	OQJFSGCLABKDDH-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCCN(C[C@@H]2CCC(C)=C(C)C2)C1	2320393002	ATDQNPIZVWNJOZ-IAGOWNOFSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CCCCC2(C)C)CC1	2320411754	FXQQDPWIPZPOOC-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)CCC2(C)CC2)c1	2327786345	IOSXXHBHWHNYSJ-UHFFFAOYSA-N	244.378	4.881	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC3CC2C3)c1F	2327803329	ABCWLFLAVQISNT-ORHYLEIMSA-N	247.357	4.550	0	10	BJAE	
CCCCCCc1ccc([C@@H](C)C[C@H](C)N)cc1	2327912833	YGVUDSMPPLRYBP-GJZGRUSLSA-N	247.426	4.650	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@H](CC)c1ccccc1	2328280536	AVUPANFEWDAOAQ-USXIJHARSA-N	248.410	4.758	0	10	BJAE	
C1=C(CC[C@@H]2CC[C@H]3CCCC[C@H]3C2)COCC1	2328287454	QBZMSWZABZKATL-OIISXLGYSA-N	248.410	4.720	0	10	BJAE	
Clc1cc2ccccc2c(Cl)c1Cl	2384317	QEPTXDCPBXMWJC-UHFFFAOYSA-N	231.509	4.800	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cc(C)cc(C)c1	20000334	RURJVQQXBVWZQD-DOMZBBRYSA-N	233.399	4.930	0	10	BJAE	
CCCC1CCC(N[C@H]2CCCC[C@H]2C)CC1	20553962	JYSTXFSMZSLZAM-LMPOIIKSSA-N	237.431	4.514	0	10	BJAE	
CCCCCCN[C@@H](C)c1cc2ccccc2o1	21012533	MCYVPGKYPMJGCQ-ZDUSSCGKSA-N	245.366	4.664	0	10	BJAE	
CC(C)c1ccc([C@H](N)C(C)(C)C)c(C(C)C)c1	21809185	UEEVPIBJEWQBSM-INIZCTEOSA-N	247.426	4.979	0	10	BJAE	
CCCN[C@H](c1ccc(CC)cc1)[C@@H](C)CCC	35582590	DWFUDXLEWMZGFC-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](c1cc(C)ccc1C)[C@@H](C)C(C)C	70123568	QIKWEUHGFVVKIP-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CCCCCC[C@@]1(N)C[C@H](C)CC(C)(C)C1	71084898	QPXONNRQIHVMGH-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C	85085455	AJYPZYZJNYGKMM-IVMMDQJWSA-N	231.383	4.540	0	10	BJAE	
CCNC[C@H](CCC(C)(C)C)c1cccc(C)c1	93125228	RBKPXIUELCROOE-INIZCTEOSA-N	247.426	4.514	0	10	BJAE	
CCCc1ccc([C@H](CC)CCC(=O)CC)cc1	107477133	VDJOXLLLEOTOHV-OAHLLOKOSA-N	246.394	4.892	0	10	BJAE	
CCCCC[C@@H](NCCC)c1ccccc1C	112405923	DREWQQBWCYCDRG-MRXNPFEDSA-N	233.399	4.616	0	10	BJAE	
CCCCCC[C@H](N)C[C@H](C)CC(C)(C)C	124747517	UNTWRSPJTPAUJJ-KBPBESRZSA-N	227.436	4.747	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC(C)(C)C2)c(C)c1	129462068	PYEHWXJVGPVCQP-CQSZACIVSA-N	231.383	4.602	0	10	BJAE	
c1ccc(-c2nc(C3CCCCC3)cs2)cc1	146338944	UMDYYUIPERWLLS-UHFFFAOYSA-N	243.375	4.858	0	10	BJAE	
CCC(CC)C[C@@H](O)C1CCC(C(C)C)CC1	148119497	RKUGQSPHLAFEAE-UYSNPLJNSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)C[C@@H](CNCC(C)C)CC(C)C	149019734	GZJMFTDMEAZZBI-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
CCCC1CCC([C@@H](N)CCCC(C)C)CC1	165891772	YMBCHHGTJKWZCG-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1)c1cccc(F)c1	166386663	GCUPHYYFHONJRO-MRXNPFEDSA-N	243.325	4.697	0	10	BJAE	
Cc1ccc2ccn(Cc3c(C)cccc3C)c2c1	166404072	PTBNJTUPSHXURB-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)c1cc(C)cc(C)c1	166737240	NFWRUVIRTIRROB-HYVNUMGLSA-N	245.410	4.520	0	10	BJAE	
N[C@H](c1cccc(C2CCC2)c1)C1CCCCC1	169013295	SGXRZSXOFPCECP-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CCCCC[C@H](C)NCC[C@H]1CCC[C@@H](C)C1	226861541	NMNWTGLIKOPYMR-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)[C@@H](C)CCC	229151409	AEOKLWUSXMXSSZ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)c1ccccc1C	229433700	LTSQBYJCCOIQPD-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@]1(CC)CNc2c(C)cc(C)cc21	232999041	YGOYYRDDPYJVLA-MRXNPFEDSA-N	231.383	4.567	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CCC[C@H](CC(C)C)C1	300308070	HFWFJRKOLIXUMK-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCNCC(CC)(CC)C[C@H](C)CC(C)C	302274420	DLAYEEWUTHLELI-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CCCOc1cccc(NC(C(C)C)C(C)C)c1	302626921	PJCHLOSAOOLUEV-UHFFFAOYSA-N	249.398	4.568	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(CC)c(CC)c1	305956581	DSUNONSYQOAMSH-ZDUSSCGKSA-N	246.394	4.820	0	10	BJAE	
CCc1cc(NCCC2CCCC2)ccc1C	306057565	VWAPXVPFBCRIEN-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CCc1ccc(Cl)c2c(Cl)csc12	306575859	JXUCAETVMCXAME-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](NC)C1=CCCCCC1	308077015	NOZAFPMLNXPQDD-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H](CC)CC(C)C	308109287	XZUSIHNWFPBDQG-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@@H](CC1(C)CCC1)NCCC	309811617	ZFUCVDGXARPSLN-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)C(C(C)C)C(C)C	310160507	LDPXEHVHGFOCHO-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC1CCC([C@@H]2C[C@H](C)c3ccccc3N2)CC1	310834730	ZOGAISGCKPAXME-VSUJBEPISA-N	243.394	4.801	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)C)CC[C@H](CC)C1	317091767	AJOVGBUQYDTTBZ-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)C)CC[C@H](CC)C1	318457954	QNARPBFMIFUVCX-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCNCC1([C@@H](C)C(C)C)CCCCCCC1	320075975	WXJIVZQFERUUIW-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)CCC1CCCCC1	322997957	SZDMNIHTTZGHIE-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CCCC/C=C\c1ccccc1)NC	324219648	YRCYSMWMYYHVPU-PJCWUCBCSA-N	245.410	4.648	0	10	BJAE	
Cc1ccc(N[C@H](CCC(C)C)C2CC2)c(F)c1	380958261	AQYXXLVIYYELSP-OAHLLOKOSA-N	249.373	4.761	0	10	BJAE	
CCC(CC)[C@@H](C)Nc1nccc2ccsc12	382418200	ODFHEBKEWUQJRE-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCCCCC(C)C	383295588	RVBCSMJMJSGBJD-INIZCTEOSA-N	233.399	4.601	0	10	BJAE	
CC(C)[C@@]1(CC2(C)CCCC2)CCCCCN1	383492664	CPKSRLARQUNSJX-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](C)(CNC(C)C)CC1(C)CCCC1	383933079	FUTQPXDWSIQNAH-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
COc1c(C)ccc(N[C@@H](C)CC(C)(C)C)c1C	384638484	AKUNOIMDHJEULD-LBPRGKRZSA-N	249.398	4.549	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CCC2=CCCCC2)CC1	385755050	DNUFXNGBSLSTOH-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CCc1cccc2ccn([C@H](C)c3ccccc3)c12	387657711	LXHRYYLCRGCDRZ-CQSZACIVSA-N	249.357	4.813	0	10	BJAE	
Cc1ccc(NCC2(C)CCCCCC2)c(F)c1	394671351	QTZKPMZWUKLQDQ-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CSc1cc2c(C(F)F)cc(F)cc2s1	396257188	VTHCYPFVUMVLSF-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCCC1CCC(N)(C[C@@H](C)C2CCC2)CC1	398888811	DBYNWPVHRUVVQI-VQCLRJIVSA-N	237.431	4.501	0	10	BJAE	
CCc1cccc2c(C3CCCCC3)c[nH]c12	527404796	NUNYGFGYKCAUEB-UHFFFAOYSA-N	227.351	4.778	0	10	BJAE	
CCCCC[C@@H](CC(C)(C)c1ccccc1)NC	686728696	OCJPXKKIOVDLJZ-INIZCTEOSA-N	247.426	4.523	0	10	BJAE	
C(CN[C@H]1CCCCC12CCCC2)CC1CCC1	688412220	KRPSCEDCKJPWLM-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(O)CCCC1CC1	691175655	PCBQARQTAJMSIU-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CC1CC=CC1)C1(CC(C)C)CCCC1	692100564	AMPNTDYAPRHMCW-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@@H]2C2CC2)cc1F	696104661	LZEUXOSMVDMGLR-GDBMZVCRSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@@H]1C(C)(C)C	699759470	QFUZKWFVRBRXDR-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC2CC3(CCC3)C2)CC1	700793795	JWPBKURCZQPTQU-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NC[C@]1(C)CC1(C)C)c1ccccc1	701987476	RBDCSLKVSYRAQF-RDJZCZTQSA-N	245.410	4.554	0	10	BJAE	
CCCc1ccccc1OCCCC1CCC1	703811709	DMSWSVQSMXBQST-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)CCCC12CCCCC2	704462953	VLMAVRWEOIYBFP-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@H]1CCCC[C@@H]1C	704797639	PNNKGHUAOCZKHR-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](N)(CCC1CCCCC1)C(C)(C)C	704917546	ZPHWCUSZAKSREY-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCCCCC2)CC1(C)C	705298745	AJNFCUFSYPYGGD-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@@H](C)CC(C)(C)C	709174702	FHCRZGCGLPOUJB-OLZOCXBDSA-N	228.420	4.636	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCC1=O)CC(C)(C)C	709273149	MVZUQSBOOTWORS-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1ccc(NC)cc1	711842312	FLIKWZXNCOMPIC-CYBMUJFWSA-N	247.382	4.518	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)C[C@@H]2CCCC[C@@H]21	712484485	WMQOTSLBUJCZJP-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714397894	VBLROXCQTHRDME-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1cscc1C(F)F	717194364	SUIXXUPGZBTUKT-LDYMZIIASA-N	247.354	4.512	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CCCC12CCCCC2	718607198	XRRAJMONZVRTEG-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCC(C)=C(C)C)[C@H]1C	718653944	QZZXEMHUHLJKCI-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC1CCC2(CC1)CC2	719277245	URJQOGMHTSFGKG-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H](CC)C(C)C	720942232	YCXUPQHMOFCQPB-HOTGVXAUSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC1[C@H]2CCCC[C@H]12	720952412	CDIFUNOVOWTHEZ-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)NCC[C@@H]1CC1CCCCCC1	721782472	WBIUIMQIESHCNN-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCC2(CC2)C1	723599396	KUMXZGFTXYOSHZ-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CN[C@H](CCC1CCCC1)C1CCC2(CC1)CC2	829156703	SOJURUHYXABDKO-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC[C@@H]1CCCCC1(C)C	1171917232	VDZNETMKDWHLCF-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)NCc1ccc2sccc2c1	1257247729	IHWVCDIKQCTTKE-CQSZACIVSA-N	247.407	4.570	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)c1cccs1	1258430200	JVNKLRROKLBQNX-STQMWFEESA-N	239.428	4.758	0	10	BJAE	
Cc1ccc(C)c(CSc2ccccc2F)c1	1458884634	BXSZAXBRDASOPB-UHFFFAOYSA-N	246.350	4.735	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](CCC)C(C)(C)C	1560838452	AQDFPKXJZXTFSW-KGLIPLIRSA-N	227.436	4.760	0	10	BJAE	
CCC[C@@H](C)CCNC1CCC(C)(CC)CC1	1659928495	NBCVKXIOAJPMTB-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H](C)CC1CCC1	1899419026	XDIGXMIGCDWQJT-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCC[C@@H](CC)C1	1900711845	HAVYXAILJIVBCS-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)CC[C@@]1(C)CCCCN1	1902204422	OIVAHZQSQPKTMA-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1CCC(C)(C)C1	1902378629	HWTYUHCOMVBABF-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](COc2ccsc2C)CC1	1904943302	VFQBBUUGQKYCNY-JOCQHMNTSA-N	238.396	4.652	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC[C@H](CC)C1	1905301512	GJQCXOZBQHGGOM-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](C)CNC(C)(C)C	1905367024	SKHGQVQBGDZLNA-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H](CC)CC(C)C	1905443762	JDTCNKDKMGTSGQ-ZNMIVQPWSA-N	227.436	4.602	0	10	BJAE	
CC=CCCC[C@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	1908080817	FCCKWNPTMOBTMI-IJEWVQPXSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@@]12CCC[C@@H]1C2	1908425560	ZPHWKVYDDFZCGU-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C(=O)C[C@@]12CCCC[C@@H]1C2)C(C)C	1909921729	YGUHQHUMSQBWTD-YCPHGPKFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](O)CCC1CCCCC1	1910695301	CTBNZIOQSVMOTH-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(N)CC3(CCCCC3)C2)C1	1912727838	NBFORQNDTKESLP-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@H]1CCCC(F)F	1913592719	AKMMCADKMQCHLP-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
Cc1ccc(C)n1[C@H]1CCC2(CCCCC2)C1	1915915407	XLXKDDCQZPIUDF-HNNXBMFYSA-N	231.383	4.780	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc(C)c1Cl	1917328228	DKDVIETWVZIYPB-JHJVBQTASA-N	249.785	4.557	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1C[C@H]1c1ccccc1	1919973655	ITENKEADMCJQRJ-BBWFWOEESA-N	246.394	4.512	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CCCC23CCC3)C1	1921610984	QPFZRXOGGGBRII-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)C[C@@H](C)C(C)(C)C	1924102729	BTEFTWLJORUQQO-IPYPFGDCSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CC1CC(C)C1)C[C@H]1C=CCCCC1	1925793540	VIOXKGGOUSGJPK-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CSc1ccc(C[C@@H]2C=CCCCC2)cc1	1925863622	YUDXDGZOCKBDMT-CYBMUJFWSA-N	232.392	4.697	0	10	BJAE	
C1=C[C@H](CC2=Cc3ccccc3C2)CCCC1	1925880582	WIDQIUXJTRBFKG-AWEZNQCLSA-N	224.347	4.763	0	10	BJAE	
CCC(CC)CCN[C@H]1CCCCC[C@H]1CC	1926170181	HSLXTWVJUSOCLE-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)CC[C@H]1CC1(C)C	1940852981	KDBRKBXVFZZJLT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CSc1cccc(NCCC[C@@H]2CC2(C)C)c1	1940874882	GNPUOGMYVFLZGC-GFCCVEGCSA-N	249.423	4.647	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CC1(C)CCCC1)NC	1941266007	YVUOSDYDAROVBZ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)[C@H](CC(C)C)C(C)C	1941266188	AXZFJRVUZVEQDP-ARFHVFGLSA-N	241.463	4.704	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)[C@@H](C)CCC(C)C)CC1	1942652139	DRZANJISEYHSMJ-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CC(CCCC(=O)C(C)(C)C)C[C@@H](C)C1	1944199785	PYGCOZOAMYEORN-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H]1CCC[C@H]1C)NC	1944819538	LCACCCKYFUUCRM-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCS[C@H](C)C2)cc1	1946348737	BDIXWLQBZRLLCW-IUODEOHRSA-N	249.423	4.506	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)CCC(C)(C)C	1947457446	WRPLAVUBMSECKW-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccc(C(F)F)cc1	1950093886	DMNUYVPHWKSECL-LBPRGKRZSA-N	239.309	4.615	0	10	BJAE	
CC(C)(C)CCNC[C@H]1CCCC(C)(C)CC1	1950921805	JIRSYOSQVHOUBC-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)C1(CC)CCC1	1951234998	NRNFLEMTUPLUAQ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CN1CC[C@H]1CC(C)(C)C	1966537391	UTZIEODBNWFYBV-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3CC[C@H]2C3)CC1	1967766714	OUHBHCKSMRNOCA-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(NC(CC2CC2)CC2CC2)CC1	1968665396	LAWXLVXASQJTRX-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cc(C(F)F)cs1	1977078797	NUCUVLQPRJKPAG-KWQFWETISA-N	248.338	4.545	0	10	BJAE	
CC(C)(C)CC(=O)C[C@@H]1CCC=CCCC1	1978280448	GMZDEZOUYMSQTH-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CC(C)[C@H](C)C[C@@H]1CCCCCCCC1=O	1988302831	OLEVOKQQFALXAO-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1=CCCC1	1995202387	FIGKEWGXNGLPQE-ZDUSSCGKSA-N	222.372	4.662	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](C)(O)C1(C)CCCCC1	1995985532	KFHNQIILYPMYJT-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(O)C1(C)CCCCC1	1995985534	KFHNQIILYPMYJT-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1CCC=CCCC1	1999989245	YFQIBEQFHUZUBD-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@H]1CCC=CCCC1	1999999642	VAAFCPQLLFIAFY-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)[C@H](C)CCC(C)C	2000292624	DZOIOMPUFCEZTM-RRFJBIMHSA-N	236.399	4.620	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@H]1CCC[C@@H](C)C1	2000324446	SVOCNAIHNAGKJS-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CCCCCF)CNC(C)(C)C	2000500914	ZXYBEJIKEYNPDQ-UHFFFAOYSA-N	245.426	4.711	0	10	BJAE	
CCCC[C@@](C)(CNCC)C[C@@H]1C=CCCC1	2000506599	BMARZHUNFBOQBE-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(NC[C@@]2(C)CC=CCC2)cc1Cl	2001700415	SCQDFFHTGGEPFK-HNNXBMFYSA-N	249.785	4.807	0	10	BJAE	
CC1(C[C@@]2(O)CCC[C@@H](C(C)(C)C)CC2)CC1	2002502526	ABWZCAMVXGHYJY-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)C1CCC(CC)CC1	2002922713	CGWVMCYYBOOWON-PRLABOORSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](C)C[C@](C)(O)C1CCC(C(C)C)CC1	2002924451	KEDGLTRNVMKYIY-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@@]1(CN)CCCC(C)(C)C1)C(C)(C)C	2002983893	NGFXNOQHWTVWJF-CJNGLKHVSA-N	239.447	4.604	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H](C)[C@H]1CCCC(C)(C)C1	2003005904	LTZVSSHEXFMMLM-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1C=CCCC1(C)C	2006900315	DNCDKBFAUMRLKI-GJZGRUSLSA-N	237.431	4.680	0	10	BJAE	
CC1CCC(C[C@@H]2CC[C@H](C)CCC2=O)CC1	2009411358	PJPRDVPKCWNORJ-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H]1N[C@@H](C)C[C@H]1C1(C)CCCCC1	2009766728	AXASLAPJCZUXID-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CC[C@@](O)(C1=CC[C@@H](C(C)(C)C)CC1)C(C)C	2010723794	WQJQWPOCIGDXMV-CJNGLKHVSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)NCCC1=CC[C@@H](C(C)(C)C)CC1	2010762532	JKRIZLWOCMHWOX-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C(=O)CC1=CC[C@@H](C(C)(C)C)CC1	2010784379	NUVWMKXZZHGBHN-CYBMUJFWSA-N	236.399	4.764	0	10	BJAE	
CC(C)(C)CCC(=O)CC12CCC(CC1)CC2	2012804703	VUALIJNINUZOJO-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1[C@@H](C)CCC[C@H]1C	2013322859	RDDVEHSCMWYOCW-XUWVNRHRSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](C)[C@@H](CC(C(C)C)C(C)C)NCC	2015279266	VVRBREFUFPUNDX-GDBMZVCRSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CC2(O)CCCCCCC2)CCC1	2015631626	HFAOGDWDYGNZHY-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CCCC1(C[C@]2(O)CC[C@H](C)C[C@H]2C)CCC1	2015640100	OFZHNKKOZVIFAO-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](N)C2(CC)CCCC2)CCC1	2015645522	UMDSLQPIORDJTR-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1(CCC)CCC1	2017486890	MYCNLMNJYJIMNP-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC1CCC(CCC2(CO)CCCC2)CC1	2017711517	DOGVFRASTBQTDQ-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCCCC[C@@](N)(CC)CCC[C@H]1CC1(C)C	2018136285	JMYTYBZKJGEEKY-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CCC[C@H](CC)C2)CC1	2018965872	VQOSIWLHKVEBEB-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CC1(CCC)CC1)NC	2018995499	PHEVSNLOFRYQPM-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(CC1=CCCC1)CC1CCCCC1	2019775392	AXPPOVKGMKKCQV-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@@H]2CCCC(C)(C)[C@@H]2O)CCCCC1	2020401485	XHLNXPPPRSKASB-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H]1CCC[C@@H](C)C1	2023329495	AFAOLAKAYALUSL-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CC(O)(C[C@@H]2CCCC(C)(C)C2)C1	2024121307	CWYTWNGEGGQSLX-IUDNXUCKSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)C1(C)C(C)(C)C1(C)C	2027150498	LBLIMRSYGUZSIK-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1ccccc1C(C)C	2027516869	AAXUPAUPYKDRCE-KRWDZBQOSA-N	246.394	4.980	0	10	BJAE	
CCCc1ccccc1[C@@H](O)CCCC1(C)CC1	2027901140	HQSSFNPWJFVUNG-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)[C@H](CC)C(C)C)cc1	2028251571	HTQAPUYSWBTYFR-IAOVAPTHSA-N	247.426	4.882	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)c1ccc(C2CC2)cc1	2028598239	OOYVOXYJCAYJPC-WBMJQRKESA-N	246.394	4.670	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CC2CCC=CCC2)CC1	2028872374	FFDXWQSOELMVME-DJIMGWMZSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@H](NC[C@]23CCCC[C@H]2CCC3)C1	2031809299	QUGDFKRPEPAGAV-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1ccccc1)C(C)(C)C1CCCC1	2032345647	FWQLYKZGKYGLAI-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@@H]2CC[C@@H](C)C2)cc1	2033401335	IQHUIMDEIVIVOM-DVOMOZLQSA-N	244.378	4.819	0	10	BJAE	
CC(C)[C@H](N[C@H]1CCCC2(CCCC2)C1)C1CC1	2034363803	OUTGRMGKMVJTKJ-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1cccc(C2CC2)c1	2036352332	NDWNZBFCJDKDOR-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
N[C@]1(C[C@H]2C=CCCCC2)CCC2(CCCC2)C1	2037271364	BFZGRPGPMLAQKO-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](c1ccco1)[C@@H]1CCCC(C)(C)CC1	2039379564	ASASGNMOILIHSB-UKRRQHHQSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H](CCC)C1CC2(C1)CC1(CCC1)C2	2039464872	YNYLWIKKNXUHHT-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)[C@]12CC[C@@H]1C2	2039752650	QVUTUISSESBRHG-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)C1CCC(C)CC1	2040634132	VTYHJZXDADSKBQ-HRDQMINSSA-N	249.373	4.761	0	10	BJAE	
CN[C@@H](CCC1CCC1)[C@@H]1CCC2(CCCC2)C1	2042735794	ILTCTWHFBIPLON-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@H]1CCC=CCCC1	2045313257	WMVWBZSXALLNES-OAHLLOKOSA-N	242.362	4.704	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)C[C@H]1CCC=CCCC1	2045315770	XKBQYCCJMLEPDA-SOUVJXGZSA-N	248.410	4.764	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@H]1C[C@H]1CC	2045319136	AOBYTGUUDPAYAY-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](N2CCCC23CCCCC3)C1	2045527120	MMKLNUMHBXVHJS-HNNXBMFYSA-N	249.442	4.754	0	10	BJAE	
CC(C)[C@@H](C(=O)CCC(C)(C)C)c1ccccc1	2045673377	GPNKARHLUOKWKD-MRXNPFEDSA-N	246.394	4.822	0	10	BJAE	
CCc1cccc([C@H](NC)C(CC)(CC)CC)c1	2045728268	SPVVKQRWQGVEDF-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CC1(CC2(N)CC3(CCCCCC3)C2)CCCC1	2046233927	VDGULAZOXXOCAQ-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCCCN(C[C@H](C)C(C)(C)C)c1ccccc1	2046577787	UFGHJTYKIPWINQ-HNNXBMFYSA-N	247.426	4.975	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)C[C@H]1CC12CCCCC2	2047011596	LFQWNXZVWAIEGG-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC23CCCC3)C1	2047056538	UKGRZAKSAALYBC-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
NCC[C@H]1CCC[C@H](CC2CCC3(CC2)CC3)C1	2049852778	CMSRQUGLJVHNII-ZBFHGGJFSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@H](CC)C1)[C@@]1(C)C=CCC1	2050007315	PRWPCQFMUTUZSH-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](NC2C3CCCC2CCC3)CC1	2050041598	KBLRJPRJEJVCFM-VATXVYSQSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCCC=C(C)C)c1cccc(F)c1	2050491794	IQXJSHDBCPWGFV-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCCc1ccccc1[C@H]1CC(=O)C[C@H](CC)C1	2055126375	XBDPVXLLVAAQQU-UKRRQHHQSA-N	244.378	4.502	0	10	BJAE	
C[C@H](N[C@H]1C=CCC[C@H]1C)[C@@H]1CCCC(C)(C)C1	2055581436	ZNDKJQGIUYQJBS-QXSJWSMHSA-N	249.442	4.536	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C1CC(C2CCC2)C1	2056680150	PJZSDAGQAIBZOT-JCYILVPMSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@@H](C=C2CCCC2)NC)CC1	2056879696	VSWQDBKFGPDYGC-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)CC(NC[C@H]2CCC=CCCC2)C1	2058863458	LVHNNHLIEHVSJC-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C1(C2CC2)CCCC1	2059173247	QWNITFWKTKMBCS-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCc2ccccc2C1=O	2059202877	DNNNBJAYJHKIRB-XYBNCVKDSA-N	242.362	4.568	0	10	BJAE	
C/C=C/CCCNC1CC2(CCC(C)(C)CC2)C1	2059225460	NLRGJJUSNHYNCJ-SNAWJCMRSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1[C@H]2CCCCC[C@H]21	2059250076	NGAYHSQVLLMXPW-AXRXUNOHSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CC1)C1=CC[C@@H](C)CC1	2060921534	MCRGHPJRVOPLHD-JKIFEVAISA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@H](NCC)C1(C)CCC(C)(C)CC1	2061561034	NHSYBCSXLJQZRA-HNNXBMFYSA-N	249.442	4.692	0	10	BJAE	
CC(C)(C(=O)CC1CC(=C2CC2)C1)C1CCCC1	2061695889	JFIBYRZWIMFOPA-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC2(CC(C[C@H](N)CCCC3CC3)C2)C1	2063200470	KOPDTPSZDONOAW-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)CC1C[C@H]2CCC[C@@H]2C1)C1CCC1	2063424382	SRLWDXQDICMAFH-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CCCNCCC=C(C)CC12CCC(CC1)CC2	2065338598	HBFDUOGSZYZWNI-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCCCC(C)(C)NCC(C)(C)c1ccccc1	2066384130	ZBGQHHHRHXJTKX-UHFFFAOYSA-N	247.426	4.523	0	10	BJAE	
CCCC1(CC(=O)[C@H]2C(C)=CCC[C@H]2C)CCC1	2069278968	PRNZQNWOPYAERG-ZBFHGGJFSA-N	248.410	4.908	0	10	BJAE	
CCCC1(C[C@]2(N)CCCCCC23CC3)CCC1	2069341360	DWOBJFWFIRBTID-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1C)C[C@H]1C=CCCCC1	2072074713	CPMITNNVRSAJLB-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1ccccc1CC	2072416556	GXMZRNKYOKIIPN-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1C[C@H]2C=C[C@H]1CC2	2073348227	WISWULOGDLDEAY-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NCC1(C[C@]23CCCC[C@H]2C3)CCC1	2074029168	MAUVASFCMWNBSR-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@]23CCCC[C@@H]2C3)C1	2074089108	AJIKWFFLKINILY-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@H](NCC)c2ccccc2C)CC1	2074643297	CZMXGYAVEXXYMY-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCC1(C[C@@H](NCC)C2CC3(CCC3)C2)CC1	2074646191	KADDUDOHMTVRFU-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N(C)C2CC3(CCCC3)C2)CC1	2074860416	STDQOBWNMMYBDL-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@@H]2CCC3(CC3)C2)CC1	2078342143	GAIFZXLEQBRXME-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@@H]2C[C@H]2C2CCCC2)c(C)c1	2079641175	OXMRZNBNSSVLJZ-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
CCN(C[C@H]1C[C@H]1C(C)(C)C)c1cccc(C)c1	2080082187	IVXUKEFSAKGQTP-GDBMZVCRSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H]1CCC[C@H](CC)C1	2080258565	BMRHVQAOUKDKJF-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H](N)CCC1CC2(C1)CC1(CCC1)C2	2083615816	QFPZJVAFCJGNDN-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C(=O)c2scc(C)c2C)CCC1	2210565272	QKAJVTIOEMOYRN-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCC(=O)c1ccccc1SCCCC1CC1	2214542846	NYBGPDSFTKOFAE-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
C[C@H](C(=O)CCCCC1CC1)C1CCCCC1	2214557179	IPFXWYGWNLACMJ-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)CC2CCCCC2)C1	2215392424	FCYHMMKYDKTGAV-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CC1(C)CC(C)(C)C1	2215399544	WZMPTAYUZDSGOH-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)C1CCCCCC1	2217151094	RPYYSEUVWWXHDY-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1CCc2cc(C)ccc2N1	2217469666	UKSUDJJPEZFJHF-DOMZBBRYSA-N	231.383	4.548	0	10	BJAE	
CCCNCCC=CC[C@H]1C[C@H]2CCC[C@@H](C1)C2	2218361901	RNUKNNJADWJUJZ-BJWYYQGGSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(N)CCC(C3CC3)CC2)C1	2218896914	OGBMPNNCRDJVDN-QBBMROGASA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)c(C/C=C/c2ccccc2)c(F)c1	2219070269	OYTGQUOZVJTBKB-VMPITWQZSA-N	244.284	4.529	0	10	BJAE	
CCCCCC[C@@H](C)Nc1c(C)cccc1OC	2220295742	XXKPEDJMPFSPLR-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CC(C)[C@H]1CC=C(C[C@H](N)C2CCCCC2)CC1	2220300774	GNJGREXTVVJROY-RDJZCZTQSA-N	249.442	4.667	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@H](C(C)(C)C)C1)c1ccoc1	2222268076	SAWRZQFDUMKVBL-QEJZJMRPSA-N	249.398	4.535	0	10	BJAE	
Cc1cc(O)cc(C)c1N[C@@H](C)CCC(C)(C)C	2223332300	GMKKIRHIXFXVHL-ZDUSSCGKSA-N	249.398	4.636	0	10	BJAE	
CC[C@H](C)NC[C@@]1([C@H]2CCC(C)(C)C2)C=CCC1	2223559155	NZIWODHEHNZHDN-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@H]1CCC[C@@H](C)C1)N2	2224126413	XEJIKPBFXBXUMF-HACGYAERSA-N	243.394	4.548	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)c1cccc2ccoc12	2224176417	NFJBJQKHBVUIKH-DOMZBBRYSA-N	245.366	4.520	0	10	BJAE	
CCCCC[C@](C)(N)CCCC[C@H]1C[C@H]1C	2243053455	QPRPPKNWOQRPGX-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H](C)CCC[C@@H]1CCCCC12CC2	2246627013	OCMACFMXQZBCMI-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@H](N)CC[C@H]1CCC[C@@H](C)C1	2246659433	ILDHJFZGEPFFOR-FVQBIDKESA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)CCC2(C)CC2)C1	2246677548	CYOQEQZFUSOEBW-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CC(C)(C)C1CC1	2247164208	NCFDPJMEGGTHAL-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C(=O)CC[C@@H]1CCCC12CC2)C(C)C	2247645171	JHZWMXUCKUDMEE-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCN(CCCCC[C@H]1C[C@@H]1C)C(C)(C)C	2248844915	OUBVRPCZOUVUJE-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@H](N)CCCCC[C@H]1C[C@H]1C	2248845639	QMTAOGLRVLININ-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@](C)(O)CCC1CC1	2248865994	MSHUKNPWUNEPRH-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CNC[C@@H]1CCCC(C)(C)C1	2250379639	DFAHVMPGBKCZFX-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)CC1CCC1	2250487577	CGEMFPOQLXLFAY-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@]12CCCC[C@H]1CC2	2251153185	HZQNRWKXKYGORG-BBRMVZONSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@]12CCCC[C@@H]1CC2	2251193166	DMEGENIIEJHULO-OWCLPIDISA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2CCC(C)(C)C2=O)C1	2251712115	LTSVXTAGKHTHRJ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2(CNC3CCC3)CC2)C1	2253911735	UXOJUOJDCOECGU-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(N[C@H]1CCCCCC1(C)C)C2	2254151678	VAIYNRCAOBTZLH-LETWWHAPSA-N	249.442	4.514	0	10	BJAE	
CC1CC2(C1)CC([C@H](N)CC1CCCCCC1)C2	2254491373	LWWJNZFMAFODCI-XOJNLIDHSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(N)(C1CCC1)C1CCC1	2254609413	MGMXHIVVMRLBSG-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@H]2CCC23CCC3)C1	2255017055	LHIDSDQMYNVYRY-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@](N)(CC[C@H]2CCCC23CC3)C1(C)C	2255327516	HKHCMGPUSGETTC-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)CCCC2(CC2)C1	2257311090	KTBQETQRKIMWEL-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](Nc1cc(C)c(C)c(C)c1)C1CCCC1	2258241553	VLIHBHGQFXOLRD-QGZVFWFLSA-N	245.410	4.993	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@]23CCCC[C@@H]2CC3)C1	2260536156	DGTZXRCDCMNFTR-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@]12CCC[C@@H]1CC2	2260580967	YDLZBPISJDCMNC-WBVHZDCISA-N	239.362	4.530	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@@]12CCC[C@H]1CC2	2260638845	PUXLRSCXNOLAFC-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@]12CCC[C@H]1CC2)[C@H]1CC1(C)C	2260673076	QSOHPTKZAPMOHH-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)c1cccc(CC2CC2)c1)C(C)(C)C	2260905116	LIYTVIXGNODOJD-GFCCVEGCSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C)CC1CC([C@@H](N)CC2=CCCCC2)C1	2261190931	OBPLPMCLQPTMBM-GPANFISMSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H]([C@@H]2CCNc3ccc(F)cc32)C1	2261340774	XLRIGJJPENIPRK-AAEUAGOBSA-N	247.357	4.551	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](NC[C@@H]2CC=CCC2)C1	2261386654	QONAIPXLNJVHLN-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CC(C)(C)CCC2(C)C)CCC1	2261395438	OGLNQGCCVKHGHR-HUUCEWRRSA-N	249.442	4.680	0	10	BJAE	
CCC1(C)CC(CN[C@@H](C)CCCC(C)C)C1	2298839834	DFSVRELYICKKLH-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CCC1(CNC(C)(C)C)CCCC1	2300860235	FFXULGVIFQNQBG-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC(=CC[C@@H](O)CC(C)(C)F)CCCC(C)C	2300893342	QGNFORBJSBDGEM-CQSZACIVSA-N	244.394	4.648	0	10	BJAE	
CC(=CC[C@](C)(N)[C@@H]1C[C@@H]1C)CCCC(C)C	2300925628	DWHFXCARIHLCHG-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CC(=CC[C@H](N)[C@H]1CC[C@H]1C)CCCC(C)C	2300940361	RHVWGVSISHHXDJ-PMPSAXMXSA-N	237.431	4.523	0	10	BJAE	
Fc1ccc(CC[C@H]2C=CCC2)c(C2CC2)c1	2301289234	QOMGAPOUBOQGLC-LBPRGKRZSA-N	230.326	4.602	0	10	BJAE	
CSCC[C@@H](C)Nc1ccc(C2CCC2)cc1	2301882093	OZLKAITVVBISQT-GFCCVEGCSA-N	249.423	4.508	0	10	BJAE	
CC(C)C(C(=O)C[C@@H]1CCC(C)(C)C1)C(C)C	2302870906	DDSYKIPZOCMDNZ-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
CCc1cscc1NC[C@@H]1C[C@@H]1C1CCCC1	2302888499	ZLDMYQDKWDMTNP-UONOGXRCSA-N	249.423	4.549	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)C[C@H]1CCC(C)=C(C)C1	2303602470	VYTZZUAGXNAMSM-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(O)CCCC2(C)C)C1	2304398678	GMLAXZMTIJJSQV-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CCN(C)CC[C@@H]1CCC(C)(C)C1	2304434650	KMPPSATUAOXOIH-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1(C)C(C)(C)C1(C)C	2307894445	MSSPUNBDNFYKBN-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](N)CC2(CCC2)C1	2307907199	KETIVMXCVUBEED-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1C)C1=CC[C@H](CC)CC1	2310972084	ZZKAVSVEVWXFDE-OHFALNGGSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@](N)(C[C@@]23CCCC[C@@H]2CC3)C1(C)C	2313353319	LWYRJUZCZJVDHS-XOKHGSTOSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N1CCCC[C@@H]1C1CCCC1	2313599419	KPEOXXFDCKSDDO-RHSMWYFYSA-N	249.442	4.610	0	10	BJAE	
CCC(CC)CCN1C[C@@H](C)Cc2ccccc21	2316246482	UTAPCKBBLCLTEE-AWEZNQCLSA-N	245.410	4.512	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1ccccc1CC	2316501512	FJBPAPKQGGGPGZ-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CCC(O)(CC)CCC(C)(C)Cc1ccccc1	2317285162	KKTLVZBLWWUWBC-UHFFFAOYSA-N	248.410	4.587	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)CCC1=CCCCC1	2317981193	XILBWFYVZAVNBU-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@H]1CC[C@H](NCCCC2=CCCCC2)C1	2318522355	RFHQLHWVYKHNNT-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CN(CCCC1=CCCCC1)CC1CC(C)(C)C1	2318572395	DRICJBPDLHONJG-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2319307699	CNVXVBQXTGOXNQ-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)CC[C@@H]2CC[C@@H]2C2CC2)CCCC1	2319752684	ZNEKNFWPCZWTRU-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)CC12CCC(CC1)C2	2320152107	ZIHUPFWNSIKVRH-YRTQGLMCSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@@]1(N)CCCCC12CC2	2320259491	VJAVETMRVNQDAO-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@](N)(CCCCC[C@@H]2C[C@@H]2C)CC1	2320400750	BRHABBURYYPHIK-UAGQMJEPSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CC(=O)CC(C)(C)C2)CC1	2320420443	PROYZSVGOXVZGY-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CCCCC[C@H]2C)CC1	2320423151	KPTJXACPIQRTDC-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2CCNC3(CCC3)C2)C1	2321631034	MEEXWWHJANUENA-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1ccccc1C1CC1	2328280837	CLCIFUGVAOZHLO-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H](C)c1ccccc1C	20557227	JNGDQTXKRXESEE-BPUTZDHNSA-N	247.426	4.860	0	10	BJAE	
CCCCC[C@H](NCC)c1ccc(C)cc1C	35542644	XKLNEIUYZYRLFV-INIZCTEOSA-N	233.399	4.534	0	10	BJAE	
CCC[C@H](N[C@H](CC)C(C)C)c1cccs1	49541657	AMNIGKSCENTKPR-OLZOCXBDSA-N	239.428	4.614	0	10	BJAE	
CCC(=O)c1ccc(-c2cccc(C)c2C)cc1	53327830	XLFDKXWGRZCMIL-UHFFFAOYSA-N	238.330	4.563	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(C)cc1OCC	69377508	HSFZDXDXIUKBQU-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC1CCC(C)(C)CC1	79676693	WKROFXPGESDFGV-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC(C)(C)C2)c(C)c1	79970342	QGFBJQHWKFTTAN-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCC[C@H](C2CC2)C1	81637732	LOGUOYVTTXPXHQ-KBPBESRZSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@@H](CC)Nc1cc(C)cc(F)c1	85729781	NATATSUNBVLJQI-CYBMUJFWSA-N	223.335	4.515	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCC(C)(C)CC1	86898113	OAFKNRWJWCZJGK-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(c2ccc(C)cc2)CC1	86939959	AOYQTIZZLBXYGX-DOTOQJQBSA-N	245.410	4.529	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](c1ccccc1)C(C)C	88296704	JAQHKCBRRKHTJG-ZMSDIMECSA-N	247.426	4.798	0	10	BJAE	
CCCCCC[C@@H](CNCC)c1ccc(C)cc1	93131723	NCCNUUWNQZKSOY-KRWDZBQOSA-N	247.426	4.659	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)C2(C)CCCC2)cc1	94906690	DTNPMEMDRRIKOA-CJNGLKHVSA-N	246.394	4.814	0	10	BJAE	
CCN[C@@H]1CCCCc2ccc([C@@H](C)CC)cc21	104168761	RAOLUINPZVWJAF-SUMWQHHRSA-N	245.410	4.577	0	10	BJAE	
Cc1cc(NCC(C)(C)C)ccc1C(C)C	107731187	SJJRPFIUEYCJPM-UHFFFAOYSA-N	219.372	4.576	0	10	BJAE	
CC[C@H]1CC[C@H](c2ncc(C(C)C)s2)C1	132169555	HYRIIIAGUGGKOA-QWRGUYRKSA-N	223.385	4.560	0	10	BJAE	
CCC1CCC([C@@H](C)CCNC(C)(C)C)CC1	132710146	XFWPIWJOKHHPNY-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1ccc(C(F)(F)F)cc1Cl	144808212	XUIPCQXKVVTIEH-UHFFFAOYSA-N	236.664	4.656	0	10	BJAE	
CCNC[C@H](CC(CC)CC)c1cccc(C)c1	149146702	MCTJSAAVHQQCCB-KRWDZBQOSA-N	247.426	4.514	0	10	BJAE	
CCCCCCC(=O)c1cccc(OCCC)c1	164730744	WKVPCJUKYCKOTK-UHFFFAOYSA-N	248.366	4.629	0	10	BJAE	
Cc1ccc(C(=O)C2C[C@H](C)C[C@@H](C)C2)cc1C	166028508	RYNZJQPRLRBZCI-VXGBXAGGSA-N	244.378	4.558	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCCC[C@H]1C(C)(C)C	167601919	GTEVRXXHBCUEJP-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
Clc1c2c(nc3ccccc13)CCCCCC2	196362462	SEFHIAAKDMAPMU-UHFFFAOYSA-N	245.753	4.547	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)c1ccccc1	203416180	FVUPGOASMHPFKR-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
CC1(C)CCC([C@H](N)CC2CCCCC2)CC1	203528452	KYNKYOFIRNOSOM-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
Clc1ccc(-c2ccnc3ccccc23)cc1	216202179	ZEVMHLUCSYJYOI-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CCC[C@H](NCC)[C@H]1CCC[C@@H](CCC)CC1	219277745	QBAQXVPITODUAQ-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
C[C@H](NCCCC1CCCC1)C1CCCCC1	225019766	RIDWVZKUEKHHQN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@]1(O)CCC[C@@H](C(C)C)C1	231009585	ZTSTWTNULQXDRH-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CCC1CCC(c2cccc3c2NCCC3)CC1	232925609	SSZCZCINVLEKLM-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
CCC[C@H](C)C(CC)(CC)CNC(C)(C)C	233327232	CYBZHSZFKBKLKP-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCc1cccc(C(=O)C2(C)CCCCC2)c1	233398275	DFWLLWOEMLYVMF-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2ccc(F)cc2C)C1	235405161	RXRIEZSWHLYRBW-SMDDNHRTSA-N	247.357	4.538	0	10	BJAE	
CC(C)C[C@H](C)CCC[C@@H](O)c1ccccc1	302347842	MRHMKAQHDOMYSX-GDBMZVCRSA-N	234.383	4.573	0	10	BJAE	
C[C@H](CNc1ccc(F)cc1Cl)C(C)(C)C	304258932	IUEASWPQKXQQEN-SECBINFHSA-N	243.753	4.573	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H](C)c1cccs1	304431684	SUJBDBUTYWACHZ-RYUDHWBXSA-N	239.428	4.614	0	10	BJAE	
CCc1cc(N[C@H]2CCC[C@H](CC)C2)ccc1C	306043259	SJUXRUQNRRCPFC-HOCLYGCPSA-N	245.410	4.938	0	10	BJAE	
Cc1cc(C(F)F)c2sc(Cl)cc2c1	306934306	DEDZBYKQAGEICL-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCN[C@H]([C@H](C)CC(C)C)[C@H](CC)CC(C)C	308090733	GNEZVPKLHOYBAW-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
C/C=C\CCN[C@H](C)c1ccc(CCCC)cc1	310597600	RQZCDXMJEGAYNG-ZDTYVGOBSA-N	245.410	4.646	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)C)CCCC[C@@H]1C	317502938	MAVYYSNVXBTXNP-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CC[C@@](CNC2CC2)(CC2CCCC2)C1	318994659	SXHAHPJFSVEFRJ-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(CC2(C)CCCC2)C1	383715207	XLFNSRATCADCGH-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@@H]1CCCC[C@@H]1C	384494722	AEOALBOLUDQBQZ-YSVLISHTSA-N	245.410	4.636	0	10	BJAE	
CC/C=C/CN[C@@H]1CCC[C@@H](C(C)(C)C)CC1	384777277	SVFJBGHRLQEEJV-WLBISTCBSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](N[C@H](C)CC(C)(C)C)C1CCCCC1	385202995	RACNNZCDVBXYJD-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
CC1CCC([C@H](N)c2ccccc2C(C)C)CC1	385714409	LPXDDMWRSYLKDA-KVULBXGLSA-N	245.410	4.636	0	10	BJAE	
Cc1cscc1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	387245809	XZBQNBBFNLMBJH-MGPQQGTHSA-N	249.423	4.827	0	10	BJAE	
CC[C@H](C)CCNc1c(Cl)cccc1Cl	394420208	YAPAVFZFOKBUQV-VIFPVBQESA-N	246.181	4.842	0	10	BJAE	
CC[C@@H]1CCC[C@H](CCCCNCC(C)C)C1	394503719	AOUDUUJYSAKNNY-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(F)cc1NCC1(C)CCCCC1	394574115	TXULLMURHASDES-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
Cc1ccc(C)c([C@H](O)C2(C)CCCCCC2)c1	394674103	SKHRWQNSKPVPOJ-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)c1cc(C)cs1	401113969	LOVFUIRQFGNWKP-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCCCC[C@H]1CC	691106733	WHHVMFCMPROCQB-CAOSSQGBSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H](C)C[C@H](CNCC)C1CCCCC1	696857898	UOJZAQIMDNHCQI-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCCNc1ccc(Cl)c(Cl)c1	697772809	VFYLKWKWEDHFHL-UHFFFAOYSA-N	244.165	4.762	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C(C)(CC)CC)CC1	701046592	DDUSOLJDELLAQW-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccc(C(F)F)cc1	701287716	NXKHVGDAMOEUEF-UHFFFAOYSA-N	240.293	4.633	0	10	BJAE	
Cc1cc(C=O)ccc1-c1cccc(C(C)C)c1	701500459	NOSSRHYOGNQFOJ-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CCCc1ccc([C@@](N)(CCC)C(C)(C)C)cc1	704927737	KNZUDUSZMOWHSR-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)c1cccc(C2CCC2)c1	708270336	NXCUHYGIQRFZNZ-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CC(C)(C)C)C(C)C	709102157	FCAJXDHNKBYHSC-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@H](C)CC(C)(C)C)C1	709128728	SZDJJMNXJMYKFT-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](C)CC1CCC1	710272276	OFHMAYACVDNBAB-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@H]3CC[C@H](C3)C2)c1Cl	710923324	GEZKMOZMDHZYMU-ITGUQSILSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(C[C@H](C)C(C)(C)C)C1	711223490	GFTYPEDSTZYKIH-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@]1(O)C[C@H]2CCCC[C@@H]21	712384019	IIFWQPJVVUIYGF-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(O)CCCC12CCCC2	713146490	SGPVORUEOOUWMQ-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1CCC(N)(CC(C)(C)C(C)C)CC1	713151035	RGQCUZFYTTVLJU-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC(N[C@@H]2CC[C@@H]3CCCC[C@H]32)CC1	714313779	CPSRHDWLCYIBLQ-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@H]1CCCCCC1(C)C)c1ccco1	718937211	DDHRNLZYOYMWEA-ZFWWWQNUSA-N	249.398	4.679	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCCCC1(C)C	718989457	NAQKWPMAYLVTPE-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	723130681	JBZPOYGEVFYMJJ-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](NCCC)c1c(C)csc1C	724978670	LFDAKRPJLNBRFM-CYBMUJFWSA-N	239.428	4.596	0	10	BJAE	
C1CCCC(CN2CCCC[C@@H]2C2CCC2)CC1	1654962532	YVZCBFAQQUIOKU-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H](CC)COc1ccc(Cl)cc1C	1905300556	IKMQQGVDGUTWCV-LBPRGKRZSA-N	240.774	4.854	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@H](CC)CCC1=O	1905347228	UEUQXQVGQVLWAI-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCC(C)(C)C1	1905386852	GFXYLXKWVRKGGV-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)C[C@H](CC)CCC	1905435928	VUUVKPPCBHOFMB-KFWWJZLASA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1CCCCCC1	1905436267	YNSDDJXRXOHOQD-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C(CC)(CC)CC	1905449306	JQKVQKMZUGVMII-CYBMUJFWSA-N	226.404	4.988	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](O)CCC1CCCCC1	1910695302	CTBNZIOQSVMOTH-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC=CC[C@@H](CC)c1ccc(C)cc1F	1912081098	GRFLOEHCRJQSRJ-CYBMUJFWSA-N	220.331	4.984	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCC[C@H]1CC1(C)C	1919969322	IHLOHQXODSQCPZ-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@](N)(CC)c1cccc2ccccc12	1920137795	LFZGXEABRPHOLF-QGZVFWFLSA-N	241.378	4.594	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CCCC12CCC2	1921592857	QOHOFKRRZDEJDS-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)NC[C@@]1(CCC2CC2)CCCC12CCC2	1921609764	INFJJANOUDZECF-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@](C)(CO)C1CCCCC1)C(C)(C)C	1923885816	CPCYTBCFSDKTNP-CZUORRHYSA-N	240.431	4.638	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H](C)C1CCCCC1	1924139478	QHQQWJXQTSYEII-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
Nc1cscc1-c1ccc(C2CCCC2)cc1	1925112828	WTNJMLXOKJQIRY-UHFFFAOYSA-N	243.375	4.655	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@@H]2C=CCCCC2)C1	1925762682	FOJUKIZWYVJOPK-BZUAXINKSA-N	248.410	4.764	0	10	BJAE	
CC(C)CCCCCNC[C@@H]1C=CCCCC1	1925831636	CAANRNVMMJWLBW-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)c1sccc1C	1937270413	WLGCVKBNPVFAMQ-DGCLKSJQSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC2(C)CCCCC2)C1	1940397640	SCOVQCSGLPIUOL-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)CNC1(C2CCCC2)CC1	1940488538	VUQIDFDUSBVVBP-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCC[C@H]2CC2(C)C)C1	1940881979	OBUFJCKKWRBZOP-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)c1cccc(N)c1	1940975284	BWDGWXPVUJDOIY-UONOGXRCSA-N	233.399	4.979	0	10	BJAE	
CCCC[C@@H](CC)CNCCCCCC1CC1	1941582696	ZBGFHGAVSXYDAG-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)CC1CCC1	1941586234	JOCGSAWSOJOCSL-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](O)[C@@]12CCCC[C@H]1CCC2	1944150448	ZVJURUOSFFQXLC-HRCADAONSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)C[C@H](N)[C@@]12CCCC[C@@H]1CCC2	1944156355	OVWBBSZHIYYGRQ-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@]1(CNC(C)(C)C)CC12CCC2	1944513669	UJXCBOAIMUGQKB-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C(C)(C)C2CCCC2)C1	1944635485	RKTJBACUWQQERO-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CNC2(C)CCCCCC2)CCC1	1945618105	WADVFVNXZPWGBQ-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
Cc1ccc(C)n1[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1947880326	WRIAGCYWAMSYJR-MUJYYYPQSA-N	231.383	4.636	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C1CC(C)(C)C1	1948146723	NUGNWTPTZGIZRA-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CCC1CCCCC1	1948325663	HNFXRSKYFNBVOM-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CCCC(C)(C)C	1948984001	PQYYDBHXSSVKDG-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C[C@H](C)CC(C)C	1948984182	TZYNPBUEQLFUMR-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CCCC1(C)CC1	1949052123	AXCTVVCKUQJFCE-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@]1(N)CCC[C@@H](C(C)(C)C)CC1	1949085733	JEYFYLSARIGZID-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H]1C[C@@H](CC(CC)CC)CCC1(C)C	1949663881	ZZBPGQVSHXNNRQ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CC2CCCC2)CC1	1950916504	BBZVLYHPJGIJTM-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1c(Cl)cccc1Cl	1959204829	ALJILEBLXOQJFI-KCJUWKMLSA-N	244.165	4.594	0	10	BJAE	
CCCCCCN1CC=CCC12CCCCC2	1966512254	ZZACOJXIJGEPBN-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CC1(C)CCC[C@H](NC2C[C@H]3CCCC[C@@H]3C2)C1	1967696405	MDMMBJIOQQVADM-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1[C@H]2CCC[C@H]21	1968350019	LXINESWFXLIPNS-ZSHCYNCHSA-N	244.378	4.543	0	10	BJAE	
Cc1ccc(O[C@H]2CCC3(CCCC3)C2)c(C)c1	1968395914	DBBBLXTXAFFYCP-HNNXBMFYSA-N	244.378	4.795	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)C[C@H](C)CC(C)(C)C	1968434811	BMRUOJBSSCIVCQ-CABCVRRESA-N	247.426	4.752	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@H](C)c1ccccc1	1968436533	NLAPROVKYUMWRZ-HZPDHXFCSA-N	247.426	4.896	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1N[C@@H]1CCCC2(CCC2)C1	1971811388	AABCKVFLLQDEQA-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1C[C@H](C)CC(C)(C)C1	1973172903	UAQYMSHJCYUSJG-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)CN[C@]1(C)CCCCC1(C)C	1973518213	DMADVYXOYXYSOC-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)[C@H]1CCCC(C)(C)C1	1978371139	DKESXAXXQCTWAF-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@](C)(O)CCC[C@H]1C[C@@H]1C	1985886972	ADLHESWWPFGJLZ-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](O)CCC[C@H]1CC[C@H](CC)CC1	1989808795	XYAGBXWHXGFWJH-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@](O)(CC)C1CCCCCC1	1990092414	ZFXAJWUKVXXRMI-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CC(C)C[C@H](N)[C@@H]1CCCC2(CCCCC2)C1	1996646550	DUHPDULHLUXRME-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC1(CCCC2(N)CC(C)(C)C(C)(C)C2)CC1	1997767414	HUEDYCPNYOTSFN-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](C)(N)C1CCC(C(C)C)CC1	2002927147	XQGQUYOGMTWZLZ-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CC(C)(CC[C@H]1CCCCCC[C@@H]1O)C1CC1	2003100472	RFTAWNAFAZGPCX-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H]1CCC2(CC2)C1	2003219532	ZNLTYTSIKSHLRA-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCC[C@]1(CO)C[C@H](C)CC(C)(C)C	2005583309	NHVIKTUITNTVAK-IJEWVQPXSA-N	240.431	4.638	0	10	BJAE	
CCN[C@H]1C[C@@H](CCC(C)(C)CC)C[C@@H](C)C1	2006623242	HZMGVGFCMROUOK-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CC1(C)CCCC1	2007622658	NQHBRYULOITNQI-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(C[C@](C)(O)C2(C)CCCCC2)C1	2007751906	NPKGSGWYQMOMOG-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCC1CC(CNc2cccc3ccsc23)C1	2007799513	HLYSLYGECRUPSW-UHFFFAOYSA-N	245.391	4.749	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1CCC(C)(C)CCC1=O	2009403963	JDKHDGNKHARAPH-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@]1(O)CCCC12CCCCC2	2009592674	ZSKIZUCJVKOLRH-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC[C@@]12CCC[C@H]1C2	2011019433	LGAHALYTKQQBSF-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)CN(C)CCCC(C)(F)F	2011183016	IEVNJCNXJRXPTI-UHFFFAOYSA-N	249.389	4.570	0	10	BJAE	
CC[C@@H](C)C[C@@](CC)(CNC(C)(C)C)C(C)C	2012439837	KPQKDSZCVMFQEI-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@](C)(O)CC1C[C@H]2CC[C@@H]2C1	2015228924	CDROFVVFOAGFHE-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C[C@@H](N)C[C@H](C)C(C)(C)C)C(C)C	2015284463	NYNOLFSKYZIXSX-KBPBESRZSA-N	241.463	4.704	0	10	BJAE	
CC(C)[C@@H](C)C[C@@]1(O)CCC2(CCCCC2)C1	2015285509	XFFDKDGJBXAKAY-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(CC(=O)[C@@H](C)CC(C)(C)C)C(C)C	2015376157	DTWOPLCLRUWDJJ-ZDUSSCGKSA-N	240.431	4.946	0	10	BJAE	
CC(C)C(CC(=O)C(C)(C)C(C)(C)C)C(C)C	2015385500	FKFJNRKQKVWOCA-UHFFFAOYSA-N	240.431	4.946	0	10	BJAE	
CCCC1(C[C@@H]2CC[C@@H](C)CCC2=O)CCC1	2015595307	LRMFYFBHWYJDIV-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@H](CC(CC)CC)NC)CCC1	2015642026	LNEJVGYVVVZXCP-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1(CC2CC2)CC1	2015744556	WQHFOYDFFDTRSD-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC1CCC(C[C@@H](O)CCCC2CC2)CC1	2017652682	JWCJCJPUAJVSFD-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCC[C@]1(C[C@H]2CC[C@H](CC)CC2)CCCN1	2017728991	REKHFRLTCHMZEG-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(C[C@@H](C)[C@H](CC)NC)CC1	2017730574	ISXCLUZDCLCPND-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)C[C@H]1CC[C@H](C)CC1	2017771822	MYPZPFBFRBQLJD-FPCVCCKLSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@H]1CC[C@H](C)CC1	2017771825	MYPZPFBFRBQLJD-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(NC[C@]23CCCC[C@@H]2C3)c(Cl)c1	2018587394	LRKHZKSMGZDLRP-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCCC1(CC2(N)CCCCCCCC2)CC1	2019002354	HTZJTQNMWSHLHA-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H](CCC)CC(C)C	2020966033	NEFWPRUGPHHTJP-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C[C@H](CC)C(C)(C)C	2022559820	JGSLZUSMKNHFQF-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CCC1CC(C[C@H](O)CCCCCC(C)C)C1	2025342860	DPFVDOZQRUQPNV-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc([C@](C)(N)CC2(C)CCCCC2)cc1	2027306488	LFPJRAFMSNJIKS-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CCC[C@H]32)CC1	2027339165	ACFHPVLNJRYLAQ-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@H]1CC=CCC1	2027517514	HTZUYOOJCMKSQF-YOEHRIQHSA-N	243.394	4.556	0	10	BJAE	
CCN[C@@H](c1ccccc1C1CC1)C(CC)CC	2028553226	WWXCTLSUVJRKDN-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCN[C@H](c1ccc(C2CC2)cc1)C(C)(C)CC	2028611758	YNMFBZHAHJIHJW-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC(C)(CNc1ccc2ccccc2c1)C(F)F	2028638467	AGTPODFTQJBJSI-UHFFFAOYSA-N	249.304	4.543	0	10	BJAE	
C[C@@H]1CC(CC2(CN)CCC=CCC2)C[C@@H](C)C1	2031827406	MIUNUNRARONYJH-GJZGRUSLSA-N	249.442	4.524	0	10	BJAE	
CC1(C[C@H](N)C2C[C@H]3CC[C@H](C2)C3)CCCCC1	2033097497	OPPBRYKIIMXYNF-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2CCC(C)(C)C2)cc1	2033393214	FNUJAEVGXDPVCH-OAHLLOKOSA-N	244.378	4.819	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CC[C@@H](C)[C@H]1C(C)C	2035406288	AUKARJYBRZPMHP-HFBAOOFYSA-N	249.373	4.617	0	10	BJAE	
N[C@H](CCCC1CCC1)c1cccc(C2CC2)c1	2036356603	RRWMYKJSYVMIKT-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CCC[C@H](C)C[C@](C)(N)c1c(C)cc(C)cc1C	2037099041	RBTQKFWRJOCQNW-SJCJKPOMSA-N	247.426	4.612	0	10	BJAE	
CC(C)CC[C@@](N)(CC1CCC=CCC1)C1CC1	2037208070	ODYWLXGEDKEWNX-QGZVFWFLSA-N	249.442	4.667	0	10	BJAE	
CC[C@H](CC(C)C)c1nc2c([nH]1)[C@H](C)CC[C@H]2C	2038007938	TXIVLRBZTRUVLM-JHJVBQTASA-N	248.414	4.950	0	10	BJAE	
CC1(C)C[C@@H]1CCCC[C@@](C)(O)c1ccccc1	2038171964	VUUGSHGASLTQME-DOTOQJQBSA-N	246.394	4.501	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C12CCC(CC1)C2)C1CCC1	2039866311	XIIAEFKCGBPLBD-DKVOJFQGSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@]1(C)CCCCC1(C)C)c1ccccc1	2041830217	DUKIWKFJGHDZLA-RHSMWYFYSA-N	245.410	4.696	0	10	BJAE	
CCN[C@@H](CC1CCC(C)(C)CC1)C1CC=CC1	2042018441	FMPKVLIFEBRMJR-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC1CC([C@H](C)Nc2ccccc2C(C)(C)C)C1	2043542953	GIQQUFRAHPZKQL-MOKVOYLWSA-N	245.410	4.831	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1CC(C)(C)C1)c1ccccc1	2043544740	UFXCEKAEXFRFRA-XJKSGUPXSA-N	245.410	4.552	0	10	BJAE	
C[C@@H](N[C@H](C)C1CC2(CCC2)C1)C1CCCCC1	2043548441	YLBIUZPBUQRKAC-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)C[C@H]2CCC=CCCC2)C1	2045314579	LOZSLUZKIFGSRL-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(N)CCCC[C@@H]2C2CC2)C1	2045400675	YFXMRVAMCQFYOV-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H](NC)c1ccc([C@@H]2C[C@@H]2C)o1	2045742716	CRCQLOXBEKDOET-MJBXVCDLSA-N	249.398	4.634	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1C[C@H]2CCCCCC[C@H]21	2047436995	IKTTYHNGIKUCON-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
N[C@@]1(CC2CCCC2)CCCCC12CCCCC2	2047563256	YCVGKVFAGVKLNG-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@@H]1CCC12CCC2	2047933603	VHCNEQNFTOXBMT-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C[C@H]1CCC12CCC2	2047943716	SXRXQAAYDGPNPQ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)[C@H]1CCC[C@@H](C)C1	2049540074	KYKVSEHBOXEDQC-BNOWGMLFSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC(=O)c2ccccc2C)C1	2050451134	SMZORDGQAIFNGU-HUUCEWRRSA-N	244.378	4.784	0	10	BJAE	
Cc1ccccc1C(=O)CCCC1=CCCCC1	2050459555	YEDIIVZLIBNWFM-UHFFFAOYSA-N	242.362	4.848	0	10	BJAE	
CCCN(C[C@@H]1CC12CCCCC2)C1CCCC1	2050740383	FFYOGFLHICICBX-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CN(CC1CCCCC1)C1CCC2(CCC2)CC1	2051644638	GOKIJQDZJIWLQC-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCC[C@H]2CC[C@@H]21	2052287232	WBCQNVLZSIYLPD-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)[C@@H]2CCCCC23CCC3)C1	2053410249	DQOYUIIAZONTPS-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CN([C@H]1CCCC(C)(C)C1)[C@H]1CCCCC12CC2	2053432757	YUPGUXOUHQEZCG-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CN(CCCC1(C)CC1)[C@H]1CCCCC12CCC2	2053434662	VJAGDHNCIURGDY-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(C(F)F)c(Cl)cc1C(F)(F)F	2054891569	UBLPIHLWPSVHGY-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CCC(C)(C)C[C@H]2C)CCC1	2055550422	BRYJFAIBMZWZQC-VNQPRFMTSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)[C@@H](NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCC1	2055551754	IUWCDBZXBZIVJY-IXKJSCDLSA-N	249.442	4.537	0	10	BJAE	
CC1=CCCC[C@@H]1NC1CCC2(CCCC2)CC1	2055670931	CBGMWWHFSANRRN-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)CC1CCC=CCC1	2056451051	NKLZCSRQIONHDO-HZPDHXFCSA-N	248.410	4.764	0	10	BJAE	
CC(C)c1cccc(NCC2CC(C3CC3)C2)c1	2056726769	ASVGTPUOFHRCFJ-UHFFFAOYSA-N	243.394	4.658	0	10	BJAE	
CC=C(C)[C@H](NCCC)C12CCC(CC1)C2(C)C	2056777052	OQQBQAGGQMGOHN-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](C1CCCCCCC1)C1CC(C2CCC2)C1	2057495089	IFACOXNEXIKLKR-JCYILVPMSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1(C2CC2)CCCC1	2057603651	IYCBAYDHENMPIZ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](O)c1ccc(C(C)(C)C)cc1	2059221324	LXGXIDMYQGMJDS-INIZCTEOSA-N	246.394	4.764	0	10	BJAE	
CC=CCCCNC[C@@H]1C[C@H]2CCCCCC[C@H]21	2059225853	SCQHNYSZPUYUTE-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
O=C(CCCC1CC(=C2CC2)C1)c1ccccc1	2061702854	WVMVTNBMBINDLU-UHFFFAOYSA-N	240.346	4.540	0	10	BJAE	
C1CCCC(NCC[C@@H]2CCC[C@H]3C[C@@H]23)CCC1	2062313792	IMRAIXSAJVNIGN-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]1NCCC12CCC(CC1)CC2	2065260177	QMNDKUBIPBEEQV-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@@]3(C)C[C@H]23)cc1	2065657422	MWPZLMJTQJSHGV-INMHGKMJSA-N	243.394	4.585	0	10	BJAE	
CC(=CCO)C=C1CCC2(CCCCCC2)CC1	2065889569	BVBLWLBRDQBRJJ-UHFFFAOYSA-N	248.410	4.766	0	10	BJAE	
CC[C@H]1C[C@@H]1NC1CCC2(CCCCCC2)CC1	2065893084	UOCYDRGFHFILJS-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2066032980	ANLYSBBIUAPOFE-LUKYLMHMSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2ccc(C3CCC3)cc2)N1	2066376373	SYCGNZXSSZDOQC-IAGOWNOFSA-N	243.394	4.547	0	10	BJAE	
CCc1cccc(C)c1NC1CC(C(C)(C)C)C1	2067989097	SQGFIPKFIJTPCF-UHFFFAOYSA-N	245.410	4.794	0	10	BJAE	
Cc1cc([C@@H](N)C[C@@H](C)C2CCCCC2)oc1C	2068908306	CNYSQJOWBYNDRY-DOMZBBRYSA-N	249.398	4.503	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@H]1C)[C@]1(C)CC=CCC1	2070961839	FZKHHGUBGWDOER-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1(C(C)(C)C)CCC1)[C@]1(C)C=CCC1	2071939607	BOMGAMNSPFGWBW-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1CC(CC2CC2)C1	2072424346	KRYYMJFOXPGALS-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](NC)c2ccoc2)CC1	2072801070	KHXPPSISEFVCDT-IIAWOOMASA-N	249.398	4.537	0	10	BJAE	
CC(C)(C)CC1CC(N)(C[C@@]23CCCC[C@H]2C3)C1	2074026332	TUXJHHUKJOXDLW-BYLPVYNFSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@]23CCCC[C@@H]2C3)CCCCC1	2074034479	RBBYYDQYIBQWSN-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
CCC1(C[C@]2(CNC(C)C)CCCC23CC3)CC1	2074624756	URNFEHNMHBVCRV-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CN(C[C@@H]1CC=CCC1)C1CCCCCCCC1	2075166884	CCXUZJBEHZLNRB-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)C1CCC1)c1ccccc1	2075817702	NJTFWSYNFNEDNS-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1C[C@H]1C1CCC1	2079326474	AEXCYUFWFVQTOP-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1C[C@H]1c1ccccc1	2079841605	JVELASLQVURCRR-GJZGRUSLSA-N	244.378	4.576	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(N)C[C@@H](C)CCC1=C(C)C	2079871664	UZPCBMRXCOCVPD-HWMZRRJGSA-N	249.442	4.667	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H]2C[C@@H]2C(C)C)cc1	2080024388	BMYSZEYEMWMHFF-YSVLISHTSA-N	245.410	4.904	0	10	BJAE	
CC(C)(C)c1cccc([C@H](O)C2(C)CCCC2)c1	2083546919	VCCPPUQAKSVRDW-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CCCNC12CCCC2	2083814570	RQUQUOYORQYJHH-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2cc(C(=O)[C@@H](C)CC(C)C)oc2c1	2084096238	DTDPWMGKQABWEP-LBPRGKRZSA-N	244.334	4.606	0	10	BJAE	
c1ccc(-c2ccc(N[C@@H]3C[C@@H]4C[C@@H]4C3)cc2)cc1	2097000834	FKVWFTKDZWJEST-VQFNDLOPSA-N	249.357	4.564	0	10	BJAE	
CC1(C)CC[C@H](C/C=C/c2ccccc2)C1	2210662488	PCBPPAKFRHJGBQ-PPYMECGQSA-N	214.352	4.916	0	10	BJAE	
CCCCC[C@@H](CN[C@@H](C)CC)CC(C)C	2212596696	KGKHFHFJSZUMOF-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)CC(C)(C)C	2213572983	CDJDAVXPWQPCEK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)cc(NCc2scc(C)c2C)c1	2213636356	LEWSBKPPWJFXPU-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
C[C@@H]1CC[C@H]1C[C@H](N)C1(C)CCCCCCC1	2214961874	SEQHKFKWUDLGDQ-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccnc(C(C)C)c1	2215273448	JZRLNGPJYDAXJM-CYBMUJFWSA-N	234.387	4.586	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)CC1(C)CC(C)(C)C1	2215397831	GXWABTGAWNWDCJ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCN[C@H]1CCC[C@H](C(C)(C)C)C1	2216248490	XVIZXHTUUDBGBT-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(O)CCC[C@H](C(C)(C)C)C1	2216256834	JIXRCZMDVNHASE-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)N(C)CCCCCCCC1CC1	2216861067	DPUHSXXDXJWPJJ-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218333755	LOGIHHXNWZPANQ-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218334814	SWMQRXQHQZRRPE-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218377285	DWGNHYALGYYINY-HOSILWTGSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@@](C)(N)CCCCCCC2CC2)o1	2218718489	ODYQTBRPGGIJDW-INIZCTEOSA-N	249.398	4.513	0	10	BJAE	
C(CCCC1CC1)CCNC1CC(C2CCC2)C1	2218723715	GTVGBCWMTXSTFM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C2(N)CCC(C3CC3)CC2)C1	2218895601	XJPNSRNKJIQPAY-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CCCCCC2CC2)CC1	2221615332	LDYJFGULBUAGFK-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@@H]1CC[C@@H]2C[C@H]21	2223130298	LGHAGKVGSKHKJL-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@](C)(O)CCCC[C@H]1C[C@@H]1C	2243040431	SGLXPBOVOIMVCA-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
Fc1cc(CC2=CCCCC2)cc(F)c1Cl	2243248590	FUHUXURVDOQABF-UHFFFAOYSA-N	242.696	4.661	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1CCC=CCC1	2244780900	CREUEDPOZXXNOF-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](C)CC(=O)C[C@@H]1CCCCC12CC2	2246618076	RLYIGHCDISYJFS-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@@H](N)CC[C@@H]1CCCCC12CC2	2246620410	MPHILMOTDRJPSA-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H]1CCCCCCC1=O	2247118127	GIVBTHJLKRLKNC-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
COC12CCC(CCC3=CCCCC3)(CC1)C2	2247514617	RDSAUBSIPOFCOA-UHFFFAOYSA-N	234.383	4.616	0	10	BJAE	
CCCC[C@H](CCC[C@H]1CCCC12CC2)NC	2247599864	GEYFBFAGUBKSII-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C[C@@H]1CCCC12CC2	2247612638	VMONWEFRVUQOIR-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](N)(CC)CCCCC[C@H]1C[C@H]1C	2248814129	LDQBWAKYWJMHLF-OWCLPIDISA-N	239.447	4.891	0	10	BJAE	
CC(C)NCC(C)(C)CCCCC[C@H]1C[C@H]1C	2248847130	YFNMQECKEOIFAH-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCCCC[C@@H]2C[C@H]2C)C1	2248869935	KRHXQRIKZJZYIA-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCC(=O)CC1CC2(CC(C)C2)C1	2250436452	UPADXYIIMSPXKB-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)C1CC=CC1	2250480089	BQXLCGPANGDTRX-HOCLYGCPSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)[C@@H](C)C(C)C	2250495411	IAEBPKNMDMCKFZ-HRCADAONSA-N	242.447	4.882	0	10	BJAE	
CCCc1csc(-c2c(C)cc(C)cc2C)n1	2253233410	MMUNRNBDXVBQNV-UHFFFAOYSA-N	245.391	4.688	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](N)CC[C@H]1CCCCC12CC2	2253843772	MNLZAOJCVXCSRV-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)C1CCC2(CC1)CC2	2254583030	SQZNWHZILAPUIE-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@@H](N)CCCC[C@@H]2C[C@H]2C)c1C	2254609076	LUZYBPMJUHIZGU-UNEWFSDZSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC[C@H]2CCCC23CC3)[C@@H]1C	2255325456	AHBAIFHJUQUGTR-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)[C@H]1CC12CCCC2	2257282510	KIDIOLFUCLTUOJ-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)c1ccccc1C1CC1	2259439191	TZMXDTXBXZLQAD-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CC(C)(C)C1(CN[C@]23CCCC[C@H]2CC3)CCC1	2260544345	RTSMDDLEFNZWRX-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CC(C)C1)C1=CCCCCCC1	2261492130	XTJQEQJWJGSORT-VMBOVVBDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](NCC)[C@H](CC)CCC	2298645982	FPTWAKOXQWPELZ-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CCNCC1(CCC(CC)CC)CC(CC)C1	2300697222	MLPODFSFZJBVTK-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@](N)(CCC(C)C)C1CC1	2300704466	RNMDDYGKGJYEBC-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC([C@@H](N)CC=C(C)CC)CC1	2300902513	VJWDAWQDRNAZPZ-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](O)CC2CCCCCC2)C1	2301136683	ZXVDLBDHTYCJGV-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)CCC1=CCCCC1	2301934623	GCWSWFJGBJFHCJ-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
CC(C)C(F)(F)C(=O)CCCC1=CCCCC1	2302302730	BCEDUHQLWGSZBK-UHFFFAOYSA-N	244.325	4.518	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCC(C)(C)C1)C1CCCC1	2302764725	BDTSAANNZFJNDI-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC2(CCCC2)C1	2307839087	VRJPDSZKBPBRHN-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)CN(C)C[C@@H]1CCC[C@@H](C)C1	2307903417	OMYOCPMMQARCDX-OWCLPIDISA-N	239.447	4.571	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@H]1C)[C@@H]1C=CCCC1	2308867283	BLBZFBGSHSLHJI-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2310385675	ABLFNCPHPVHOCT-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC1CCC1)c1ccco1	2313700166	YGFBFQQTCPGPFM-ZFWWWQNUSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H]1CC12CCCC2	2316510068	SFKMNPSDVRRKPY-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(CCCC(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316739448	ROKSJHNUOZSOBK-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1C[C@H]2CCC[C@H]1CC2	2316954659	CPAGRFYTKNBIPX-QEOTZNIISA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C(=O)C1	2317009546	XOJHOBFRJKVFPE-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CCCC[C@H]2C[C@H]21	2319253533	WBQFAOGMXIFULK-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
CCC(=O)CC[C@H](c1ccccc1)C1CCCC1	2319673701	FBEFCLOGJPNBMP-QGZVFWFLSA-N	244.378	4.720	0	10	BJAE	
CC1=C(C)C[C@H](CNCCCC[C@@H]2C[C@H]2C)CC1	2320373051	NKZLBIFULRTQGB-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CNCCCC[C@@H]2C[C@@H]2C)CC1	2320373052	NKZLBIFULRTQGB-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CNc2ccc(F)cc2C)CC1	2320411189	IDZXQYMJYPSADJ-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
C=C=CC[C@H](C[C@@H]1CCC(C)=C(C)C1)NCCC	2320415012	WOTGBWWRHSCHMU-IAGOWNOFSA-N	247.426	4.612	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@H]2C2CCC2)CC1	2320418628	CLKJHTBUHLVZPG-VNQPRFMTSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C[C@@H]3CCC[C@@H]32)c1F	2327805003	XUIKYVROWLQQOH-CORIIIEPSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(c2ccccc2)CC1	2328098691	ZAPBKCVWRZDEBN-AWEZNQCLSA-N	244.378	4.504	0	10	BJAE	
CCC(C)(C)[C@@H]1CCc2[nH]c3ccccc3c2C1	1461304	ZSHOFFAGADFNTF-GFCCVEGCSA-N	241.378	4.709	0	10	BJAE	
Cc1ccc(-c2coc(-c3ccccc3)c2)cc1	15779988	VVRUECKYFXBAHE-UHFFFAOYSA-N	234.298	4.922	0	10	BJAE	
CC[C@@H](N[C@@H](C)CCC(C)C)c1cccs1	19991959	ASJNPGSSFPAMIF-QWHCGFSZSA-N	239.428	4.614	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)c1ccccc1C	21803274	DYFCETCSLVGEKE-GJZGRUSLSA-N	233.399	4.614	0	10	BJAE	
CC(=O)c1ccc(-c2cccc(Cl)c2C)cc1	33427703	YKCVTVNTFFFUOZ-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CCCCNc1ccccc1-c1cccs1	37075764	MMBCMTWRQKPZME-UHFFFAOYSA-N	231.364	4.627	0	10	BJAE	
C[C@H](N)c1cccc(-c2cccc3ccccc23)c1	38070147	MJRMRPZMBFIQKF-ZDUSSCGKSA-N	247.341	4.527	0	10	BJAE	
Clc1ccc(Cl)c(NCC2CCCC2)c1	41289949	HHWBZOXYODNIDX-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CCCN[C@@H](c1cc(C)ccc1C)[C@H](C)C(C)C	70123569	QIKWEUHGFVVKIP-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1c(C)cc(C)cc1C	71161087	WOVKHGRBFQJAGI-JKSUJKDBSA-N	245.410	4.993	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)CC[C@@H](C(C)C)C3	87818918	RDOMCTQWNQSTJA-CYBMUJFWSA-N	241.378	4.546	0	10	BJAE	
CCc1cccc(N[C@@H]2CCCCC2(C)C)c1	94274216	SQGVOOJCFFXBMJ-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
Clc1ccccc1/C=C\c1ccccc1	96327267	WTVKFPGVKKXUHG-KHPPLWFESA-N	214.695	4.510	0	10	BJAE	
CCCCc1ccc(N[C@H]2C[C@H]3CC[C@@H]2C3)cc1	109762402	MLOPDIVLFLUONH-UXLLHSPISA-N	243.394	4.630	0	10	BJAE	
CCCC[C@@H](CC)Cn1ccc2cc(F)ccc21	111684215	WTXNHLIRMLNPDN-CYBMUJFWSA-N	247.357	4.997	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1CCCCC1	125922832	WWMNKWSRVUNTCC-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@H]1NCCC1=CCCCC1	155835347	KIMLSSOMCBSBTJ-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@H]1CCCCC[C@@H]1CNC(C)C	157877518	GUGQCJUZHMNDBG-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@H](C)C(C)(C)C	161070256	AZWFLDRAPHCKOY-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCCCC2CC2)CC1	161489283	TXFSWFYGMZXQMM-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCCC[C@@H]1CC	168340859	OFPFQISVHTXDEY-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](CC)NCC[C@@H]1CCC[C@@H](C)C1	226863418	IUNVJOGFKROOBV-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@H]1NCCC1=CCCC1	228568667	QGRJTOSRBGMARE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](CCCC(C)C)NC	229174015	MQJJHBPTOANWGZ-IRXDYDNUSA-N	247.426	4.595	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](N[C@@H](C)c2ccccc2)C1	230985063	KJJAYLHUHVCKSX-XIRDDKMYSA-N	245.410	4.552	0	10	BJAE	
CCc1cccc(N[C@H]2CCC[C@H](C(C)C)C2)c1	230986326	VKBGXGQKYRBQHC-RDJZCZTQSA-N	245.410	4.876	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](Nc2cncc(C)c2)CC1	232074065	VQHGZANVDBOSNV-HUUCEWRRSA-N	246.398	4.551	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@H](C)CCC	232914237	LQYSIVCFLJOWSW-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCCCC1CCC(N)([C@@H](C)CCC)CC1	232926812	NUMJFKSBFMYOBV-NFOMZHRRSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	235313838	ARBNNGZVYWWTED-BYCMXARLSA-N	244.378	4.558	0	10	BJAE	
CC[C@H](C)OC(=O)Nc1ccccc1[C@H](C)CC	242647549	CQTJOGFCUAXDQI-NEPJUHHUSA-N	249.354	4.547	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@H](C2CC2)C1	251857215	SJUUAIZRYRUGRY-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NC(C(C)C)C(C)C)c(Cl)c1	304491126	HTEGDNYHMKZTRO-UHFFFAOYSA-N	239.790	4.741	0	10	BJAE	
CC(C)NC[C@@H](CCC1CCCC1)C(C)(C)C	305997746	UPMKNGFVKIPJKC-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC1CCCC1)NCC	306060425	WULODZUQZPXWRI-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc([C@@H](C)NC(C(C)C)C(C)C)cc1	306107961	SGNUYFFSULVCQY-CQSZACIVSA-N	247.426	4.580	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1	308053153	IAOGWTAOELAJAH-BYNSBNAKSA-N	238.415	4.700	0	10	BJAE	
CCCCCCC(=O)[C@@H](CC)CC(C)C	308055186	MMFMLJNEJQRSLU-ZDUSSCGKSA-N	212.377	4.598	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(CC2(C)CCCC2)C1	310189752	ZOOVJEVPNIJRPD-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(F)cc(N[C@@H](C)c2cccc(C)c2)c1	310536531	RAOCVENFUYFEFI-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CC(C)c1ccccc1[C@]1(O)CCCCC1(C)C	310930224	ISLXDZLTKQFZIW-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)c1ccccc1C(C)C	311023185	CQSNELZAVIIEGI-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
CCCCCC[C@@]1(CNCCC)CC[C@H](C)C1	318305017	OENBGCDNXBFHMG-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](CNC1CC1)C1=CCCCC1	320057550	VRFCGNSZSULFQB-GRDNDAEWSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CCN[C@@H]1CCC12CCCCC2)C1CC1	328515721	DRLCRQWRQNCOBF-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC)[C@@H](C)C[C@@H](C)C1CCCCC1	380066920	ZEJZZOXJVQKPJA-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
Cc1csc(C(=O)[C@H](C)CC(C)C)c1Cl	382367475	CJSQCYZBYORMSF-MRVPVSSYSA-N	244.787	4.575	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)C)c1cccc(C)c1	384546442	CEUQARXVWVXEJY-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2CCCC[C@H]2C)CC1	385091769	YDMUHDLTVFTVPS-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC([C@H](N)CCC2=CCCCC2)CC1	385105579	BUKUCEOVPKIFFE-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCC(=O)c2ccccc2)C1	385289589	ONJNOLHSKITNBZ-HUUCEWRRSA-N	244.378	4.866	0	10	BJAE	
CCCC[C@@H](C)C(=O)CCC1=CCCCC1	385667570	HAVPXCZVMSUGSC-CYBMUJFWSA-N	222.372	4.662	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1cccc(C(F)F)c1	386247070	ZMWMTVBIQTYFLD-GXFFZTMASA-N	239.309	4.615	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC1(C)C)c1cccc(C)c1	393965747	OLPFTVISBCEQDH-HZPDHXFCSA-N	245.410	4.614	0	10	BJAE	
Cc1cccc(OC[C@H]2CCC[C@@H](C)C2)c1C	394458137	LGRFIEUUAFWIEY-DOMZBBRYSA-N	232.367	4.509	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNc2cscc2C)C1	394617469	KYOZWACJKZBHQI-CHWSQXEVSA-N	237.412	4.685	0	10	BJAE	
CC[C@@](O)(c1ccccc1C1CCC1)C(C)(C)C	395455892	GWNKFQBSURMLGS-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@@H](CCC1CC1)CC1(C)CCCC1	395477319	AUBKYCFICJGTDU-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)CC2=CCCC2)C(=O)C1	401096283	ZSVJALIXUQKSHC-OCCSQVGLSA-N	234.383	4.518	0	10	BJAE	
COc1cc(C)c2[nH]cc(C3CCCCC3)c2c1	527400487	QZNODXWDQLETBR-UHFFFAOYSA-N	243.350	4.533	0	10	BJAE	
CCCC1(CNc2ccc3sccc3c2)CC1	687551417	QTLXKYCQCAEACE-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
CC1(C)CC(C(=O)CCCCF)CC(C)(C)C1	688310711	ZTTBDEWQRGHPBC-UHFFFAOYSA-N	242.378	4.548	0	10	BJAE	
C[C@@H](NCCCC1CCC1)C1CCCCCC1	688395163	ZMEBMSCHUCUBDL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1Nc1ccccc1Cl	691069184	ORMBBFLVCVDELO-YPMHNXCESA-N	237.774	4.721	0	10	BJAE	
C[C@H](CC(=O)C1CC2(CCC2)C1)C1CCCCC1	700943386	VBPLHPRKYLSLBC-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1ccc(C(C)(C)C)cc1	701211155	AUHSRSFIJITUQS-OAHLLOKOSA-N	247.426	4.810	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C[C@@H]1CCc2ccccc2N1	704834097	IARWTHHERCEZSF-BMFZPTHFSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)CC1CCC(C)(C)CC1	704892772	VTMPZNBUQIDIEL-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@H]1CCCC12CC2	707149594	IIAGWFPCHBKANV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H](C)CC(C)(C)C	708251081	UIUXKPPHXXDDRQ-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@H](C)CC(C)(C)C	709174704	FHCRZGCGLPOUJB-QWHCGFSZSA-N	228.420	4.636	0	10	BJAE	
C[C@H](CC(=O)[C@]12CCCC[C@@H]1C2)CC(C)(C)C	709210361	HPXZYFBNNPOTDL-IOASZLSFSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)C1(C)CCCC1	710833521	ZHRQSUHRXOALRP-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@H](CCCC(C)C)NC)C(C)(C)C	711100408	YWYPZYOTFJIYJQ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1NCC[C@@H]1CC=CCC1	713027658	XVZVNSKNFUJSSO-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)CC(C)(C)C(C)C	713209815	DRIMNIQRIIKITI-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1CCC[C@H](CCC(C)=C(C)C)C1	718655486	YGZRUGWZXRJTNV-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CCC1(CNC(C)C)CCCC1	718754380	RPJDRTQAXQGYSQ-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCCCCN(C[C@@H]1CCC[C@@H](C)C1)C(C)C	1308571546	VFEJIFJLHXXJFR-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](C)CCNCc1ccccc1C(C)C	1474251936	IWYACJZCRQNORB-OAHLLOKOSA-N	247.426	4.726	0	10	BJAE	
CC(C)CS[C@H](C)c1ccc2c(c1)CCC2	1651589193	BJYUGLDNYILIDC-GFCCVEGCSA-N	234.408	4.626	0	10	BJAE	
CCCC(=O)Nc1cc(C(C)C)cc(C(C)C)c1	1866063337	SAXLUGHYAZHIEZ-UHFFFAOYSA-N	247.382	4.672	0	10	BJAE	
CCC(CC)c1cc(C=O)cc(C(C)C)c1	1901881326	NMDQLVJPDMPKAI-UHFFFAOYSA-N	218.340	4.526	0	10	BJAE	
CCCCCC(=O)C[C@H]1CC[C@H]1C(C)(C)C	1902747255	VTJAKJZQFRKDFF-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@](N)(CC)c1cccs1	1905360997	HXMZVCKQTNQUFQ-TZMCWYRMSA-N	239.428	4.529	0	10	BJAE	
CCC(C)(C)C[C@H]1CCCCCCCC[C@@H]1N	1913431113	RZKWHIWNCOOYGO-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@H]1CC(CC)CC	1916013617	HOCCAGWYNUTBIY-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H]1CC[C@@H](C)CC1=O	1916085381	KHNIJRCNBRTYBR-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@H]3C[C@H]3C2)CCCC1	1917418600	PHLPWOZBOADQGJ-YQQAZPJKSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)c1cccc(C(C)C)c1	1919941247	RIFQFWQXJMBROE-RHSMWYFYSA-N	248.410	4.844	0	10	BJAE	
CCCCCC[C@](C)(O)c1ccsc1Cl	1919943211	JVCKDNOSVMONMT-LBPRGKRZSA-N	246.803	4.579	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@H]1CCC[C@@H](CC)C1	1919963966	ZYVZWSYMYRMSGB-XUWVNRHRSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@](C)(N)c1ccccc1C1CC1	1920202122	JWGGYCGQUXDZHH-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCC12CCC2)C(C)(C)C	1921618995	HFGWRLJCTODZCH-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](O)CCC1CCCCC1	1923882131	OUZYPNJRADDROA-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C1=C[C@H](C[C@H]2CCc3ccccc3N2)CCCC1	1925927780	OUCADFFVMFNEFV-GOEBONIOSA-N	241.378	4.550	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cc(Cl)sc1C	1933585637	GFGLFIBEJNBBQK-QPUJVOFHSA-N	246.803	4.570	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@@H](C)CC(C)C	1940415822	OTXWKJQKVSKSCN-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(OCc2ccc(Cl)cc2C)c1	1940676012	GYJDANRMNGBTKB-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC[C@@H](NCC(C)(C)C1CCCCC1)C(C)C	1940761491	AHBGYOPJMGPWFZ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@@H](C)CC(C)C	1940790037	IRPREFQZAYXDJU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)C1(C)CCCCC1	1940883447	ODUPHVYQKCNDJU-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C(=O)C[C@@H](C)C(C)(C)C)C(C)C	1941269349	PEYAXEWQNVMAOC-ZIAGYGMSSA-N	240.431	4.946	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CCCCCC1CC1	1941575947	QJWVDWVAXQNOJS-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC1(CNC(C)C)CC(C)(C)C1	1941982449	SQCFGCPQHJJBST-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)c1cccc2sccc12	1945955023	CHLPKUIEGHTFOS-GHMZBOCLSA-N	244.359	4.520	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CCCCCCC1(F)F	1947290501	VETVSPRJGXCALI-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@@H](CCCCC1CCC1)NCCC	1948429406	LJWKXYFHPPZIIG-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CC(C)=CCC[C@]1(N)C[C@H](C)CC[C@H]1C(C)C	1949024435	KQABSUAYUSQFND-PMPSAXMXSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CCC(C)=C(C)C	1949047625	UDSDFZJHSJRTBF-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C1CC(C)(C)C1	1949151424	UGBRWACUHTXEJS-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)([C@@H]1CCC2(CCCC2)C1)C(C)(C)C	1949401140	AQWOGXBCJYLJRP-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC[C@](C)(O)c1ccccc1	1949907952	STQQOFGWIUAHIV-INIZCTEOSA-N	234.383	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(CN)CCCC(C)(C)CC1	1950913009	CYVNYEKVGWPMMW-OFQRWUPVSA-N	239.447	4.604	0	10	BJAE	
CCC1(CC)CCC(NC2CC(C3CC3)C2)CC1	1966001306	BCTGSKQLIUPSLH-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CN2CCCCC3(CCC3)C2)CC1	1966435933	CRVZPOWLTKIDLY-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCC[C@@H](NC[C@@]1(C)C=CCCC1)C1CCCC1	1967837961	WQWHQVFFHCTJTD-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
Cc1ccsc1CNc1ccccc1C1CC1	1969416941	PRWNNGNWASXFCF-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCC[C@H](CC)C2)C1	1970280432	IOCVNUNSJZWGQV-JWMHWRSXSA-N	237.431	4.514	0	10	BJAE	
CC(C)Sc1ccccc1N[C@@H]1CCC[C@@H]1C	1970342978	MMVVDADMEOMJPU-QWHCGFSZSA-N	249.423	4.788	0	10	BJAE	
CCCC[C@H](CC)NC(CC1CC1)CC1CC1	1970829456	PUQAXRZHSNPFFR-HNNXBMFYSA-N	237.431	4.514	0	10	BJAE	
CCCC(C)(C)CNCc1cccc(C(C)C)c1	1973163558	GLTZANNZCYQAJA-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
CCCC(C)(C)CNC(CC(C)C)CC(C)C	1973172373	RAZWAVIDHWKPBO-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCC[C@@H](CNC2(C3CC3)CCCCC2)C1	1973784383	WZBZUIMCQRKGTN-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1CCC[C@@H](CC)CC1	1976343053	SEWYQURBCAFCTJ-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCC(=O)c1sccc1C1CC1	1978435561	SEPQCUTUPZDKOU-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CC[C@H](C)[C@H](C)CC(=O)c1cccc(Cl)c1	1980684576	IIVULEYBYOTYPS-WDEREUQCSA-N	238.758	4.595	0	10	BJAE	
CCCCC1CC(O)(CCCC(C)(C)C)C1	1984690083	FQBLUULMAGBBAW-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
F[C@H]1CCCC[C@H]1CC1CC(=C2CCC2)C1	1985530731	LTSCYBXNZQIOAP-ZFWWWQNUSA-N	222.347	4.795	0	10	BJAE	
CCC[C@H](N)CCCC1CCC(CC)CC1	1989821028	ISMXUKNWTDYVNN-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@](N)(CC)[C@H](C)CCC(C)C	1990092301	XRFCADZDJWCBSY-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@H](C)c1cccs1	1990903192	IXTJWGVQCAXDGY-CHWSQXEVSA-N	239.428	4.566	0	10	BJAE	
CCCCCC[C@H](N)CC[C@@H](C)CCCC	1995261162	BKIXLSANOQCJAX-GJZGRUSLSA-N	227.436	4.891	0	10	BJAE	
CC1CCC([C@@](C)(N)C2CCCCCC2)CC1	1996595794	YPIVSZBVEGMVJL-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@H]1CC=CCC1	1997545295	BGNLCEWWWPYGJQ-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1ccccc1SC(C)C	1998745025	WVICVSMSHAZCAB-STQMWFEESA-N	249.423	4.788	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@H]1CCC=CCCC1	1999978354	CRCBGTOKEOXQDM-AWEZNQCLSA-N	236.399	4.764	0	10	BJAE	
Cc1cccc(C(=O)C2(C)CCCCCC2)c1	2000218322	JHPBHYBYHUZWJQ-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCCN[C@@H](C)[C@H](C)C1CCC(CCC)CC1	2002921971	TXDSOTAZHDSYEV-FXQLRMTLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C2CCCCCC2)C1	2003012847	CNAKESSDODUCTL-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](O)CC1CCC2(CC1)CC2	2003201542	VVHDMLPCVWHTOH-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)CC)c1ccco1	2003686567	WJJJBDFGNRSBRV-ZDUSSCGKSA-N	237.387	4.537	0	10	BJAE	
CCC1(CC)CCC(O)([C@H]2CCC2(C)C)CC1	2004350500	CFZFEOGCVIJBGX-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H]1CCCCC12CC2	2005591613	HUQYPLVLRNSSMR-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CCCC23CCC3)s1	2005599101	XUXVGZJWZJRTDU-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)C1(C)CCC(C)CC1	2007692865	FIBAAVPCJBWKFZ-OGVSOVDVSA-N	238.415	4.700	0	10	BJAE	
CCC1(CC)CC(N)(C[C@H]2CCC[C@H](C)C2)C1	2009303363	GPQKULRQZNZHSR-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@H](O)C1(CC(C)C)CCCC1	2009592265	LYFGBTWANBQNGE-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@@]1(O)CCC[C@@H](CC(C)C)C1	2009593240	MSZHUBFNLRMQJC-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@@](C)(CCCC)CNC(C)C	2009618699	DWZVOZOGLLGBLZ-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1(CCC)CC1	2009627347	IKERZVRBDKDGET-SZTZYQKNSA-N	237.431	4.681	0	10	BJAE	
CCCCC1CC(O)(C[C@@H]2CCC[C@H](C)C2)C1	2009715212	ZRDISZVBSJPTCB-QRNKSROTSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(CC2CC(=C3CCC3)C2)c1C	2011087851	RLOZAUDIKIDLSQ-UHFFFAOYSA-N	226.363	4.736	0	10	BJAE	
Clc1ccc(NCC2C[C@@H]3CCC[C@H]3C2)cc1	2011968384	BJEMAASZAJRCGQ-STQMWFEESA-N	249.785	4.578	0	10	BJAE	
CCCNC[C@](CC)(C(C)C)C1CCCCC1	2012417409	STOZPPTVTHCPTN-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](C)C1CCC2(CCCCCC2)CC1	2013211345	JIBAVEWPJLYYAP-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)[C@@H]1CCC1(C)C	2014936801	GULDLAPQTHBEMX-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC(C(C)C)C(C)C	2015276500	YMRQRZBDMCZJNE-ZBFHGGJFSA-N	242.447	4.882	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H](C)C(C)C	2015388746	XBGSGZIOFIGJAT-ZDUSSCGKSA-N	232.367	4.504	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@@H](C)C[C@@H]2C)CCC1	2015641431	FELJVYMCCXSOMZ-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H]2CCC[C@@H](CCN)C2)CCC1	2015644511	NOQBSXHFFVBMOR-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCC1=CCCCC1	2016142705	AXVDDFNHJIJECM-HNNXBMFYSA-N	235.415	4.601	0	10	BJAE	
CC1(CC[C@@H](N)CC2(C(C)(C)C)CCC2)CC1	2017142757	IIMNYNYZLPZEKZ-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC1(CN)CCC(C(C)C)CC1	2017467084	SMISUHJUGYEDQG-UHFFFAOYSA-N	237.431	4.524	0	10	BJAE	
CC1(C)CCC[C@](C)(NCC2CCCCC2)C1	2017623415	PXMMRFGRTPUMTQ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CCC2(C)C)CC1	2017723917	WDQZBHQUORLYKC-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C[C@H]1CC[C@H](C)CC1	2017724331	XNFPKXKWLGCVSQ-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@H]1CC[C@H](CC)CC1	2017774577	QGQNBGIGOOMVSZ-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCC1(C[C@@H](N)C2(C)CCCCCCC2)CC1	2018994235	AKBBNMDKUHKCTB-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCCN(CCCC)[C@@H]1CC[C@@H](C)[C@H](C)C1	2019123805	JPBJMTIILRABBA-BZUAXINKSA-N	239.447	4.713	0	10	BJAE	
CCCC1CC(CN(C)CCC(C)(C)CC)C1	2019380575	VDUWZCTUCRUHBX-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1ccccc1C1CC1	2021026309	QAKFMJWCXGBWFI-WFASDCNBSA-N	229.367	4.555	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)[C@H]1CC[C@H](CC)CC1	2022557384	NYTKXQWQVDGIKY-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1C[C@@H]1C1CCCC1	2022558107	TYACNMQKBCTMQY-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C1C(C)(C)C1(C)C	2026144608	NVTMBTOUMPAXQD-STQMWFEESA-N	240.431	4.636	0	10	BJAE	
CCCc1cccc2c(C[C@@H](C)CC)coc12	2026533283	JYQITCLFAAOKAU-LBPRGKRZSA-N	230.351	4.974	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@H]1CCCC12CC2	2027317138	QGFHTZMXKOZFCU-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)[C@@H](C)[C@@H]1NCCC1=CCCCC1	2027793642	ODGXKLYONPSUNU-JYYAWHABSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@H]1CC2CCC1CC2	2027842065	FIILTCKXQVYVQT-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CCC[C@]1(CC2CCC=CCC2)CCCCCN1	2028899111	XLJAFCYGCRMZND-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CC(C[C@@]2(N)CCCC3(CC3)C2)C[C@H](C)C1	2031819153	SLMLQDZMPMHEOZ-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCC1	2032292289	BBYLIYFNYGAJSL-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1(C2CCCC2)CCC1	2033048977	QZPROTKQEPITCT-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CC(N2CCCC23CCCCC3)C[C@H](C)C1	2033535219	PDMKBUOOUUHJKM-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CC(C)(CC[C@@H]1C[C@@H]2CCCC[C@H]2C1=O)C1CC1	2034256440	ATGNRAGMGMQNBR-GZBFAFLISA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H](C)[C@H]2C(C)C)ccc1F	2035409014	LIEKQBSSDZFKAK-IUIKQTSFSA-N	249.373	4.617	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@@H]1CC12CCCC2	2036096556	LQQDHRFVXLIRPK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC=Cc1ccccc1)CC(C)C	2036948971	GQODDQPTMKVLNP-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
CCC[C@@](O)(c1ccccc1)[C@H]1CCC(C)(C)C1	2037571901	MAMWXZIBEQZKIL-DOTOQJQBSA-N	246.394	4.501	0	10	BJAE	
CC1(C)CC(C)(C(=O)[C@H]2CCC3(CCCC3)C2)C1	2037680540	ZRXSEFYDJKNBDP-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CNC[C@@]1([C@@H]2CCC(C)(C)C2)CCC=CCCC1	2037684868	CFFDCYVFEPYWJC-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](C=C1CCC2(CCNCC2)C1)CC	2037730970	QAPVGFMZUAHCSI-OAHLLOKOSA-N	249.442	4.683	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc([C@@H]3CCC(C)(C)C3)[nH]c21	2037999721	ITTSRDOHXYHBOU-GRYCIOLGSA-N	246.398	4.704	0	10	BJAE	
CCC[C@H](c1nc2c([nH]1)[C@H](C)CC[C@H]2C)C(C)C	2038000495	QVKRNXNQAROEHW-UPJWGTAASA-N	248.414	4.950	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(CC2CC3(CCC3)C2)C1	2038089842	LAIQWJJWGYVDMQ-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CC12CCCCC2	2039057344	DXOCUXASWRZBBD-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H]1CCC[C@H](C)CC1	2039378190	XEEHFGJXMRDOBB-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1CCC(C)CC1)C1(C)CC=CC1	2042019597	PMELWRYBQRGMGD-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)[C@@]1(C)CC=CCC1	2042019777	QZLHNAUQOZWJQK-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@@]1(C)CC=CCC1	2042019834	RQBIHMHIGRMTEN-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC(=O)c2ccccc2C2CC2)CCC1	2042278348	LOEXQJYELBVQAV-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2042350508	OWUSPIBVNBDEDZ-ZOFXXKQRSA-N	249.442	4.536	0	10	BJAE	
CCCc1ccccc1N[C@H](C)C1CC(C)(C)C1	2043543700	MJJOJCFUVCJASO-CYBMUJFWSA-N	245.410	4.876	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CCC=CCCC2)C(=O)C1	2045308475	AQHWKOIDMNASRE-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
C[C@](N)(C[C@H]1CCC=CCCC1)C1CCCCC1	2045311949	MFZQAHUDYAXKME-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](C[C@H]1CCC=CCCC1)C1CC(C)(C)C1	2045316579	FOLZBUNCUJSUPF-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC(C)CNCC1(C[C@H]2CCC=CCCC2)CC1	2045322236	CPDSNMITAMVZAL-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@@H](c2ccc3c(c2)NCCC3)C1	2045509429	YPXKFYKVTFWLDR-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
C[C@H]1CC[C@H](C2(N)CCC3(CCCCC3)CC2)C1	2045666089	NQRWJMJXSASYIH-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C=C(C)C)C[C@@H](C)c1ccccc1	2045778671	GJUYNHHIOLWLBM-NVXWUHKLSA-N	245.410	4.515	0	10	BJAE	
C[C@H](NC1CC2(CCCCCC2)C1)C1CCCC1	2046230938	ZNKBUMDHUJCXTR-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCN(C1CC1)[C@H]1CCC2(CCCC2)C1	2046555637	USONYRWFAOCKHI-INIZCTEOSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc(N(C)CC2(C)CCCCC2)c(C)c1	2046571170	QDBHDEDYDZCPBW-UHFFFAOYSA-N	245.410	4.710	0	10	BJAE	
CCc1cccc(OC[C@H]2CC23CCCCC3)c1	2047054581	FJZLGHCWCGWGES-OAHLLOKOSA-N	244.378	4.598	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC12CCCC2)C1CCCCC1	2047065366	MOIOECCTPHPHTH-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@H]1[C@H]2CCCCC[C@H]21	2048441865	RJUTVRXGJANKFN-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(OC[C@H]2[C@H]3CCCCC[C@H]32)c(C)c1	2048479202	WHCCXRNDSUYRMG-MUJYYYPQSA-N	244.378	4.509	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)c2ccc[nH]2)CC1	2049638705	SMLIGCKVLSUHJC-HDJSIYSDSA-N	247.382	4.584	0	10	BJAE	
CC1(C[C@@H](N)C[C@@H]2CC23CCCCC3)CCCC1	2049792174	GHVGGDFKGMVCBV-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
c1ccc2c(c1)ccn2CC1CCC2(CC1)CC2	2049954039	JPKGFJDJKKGSRM-UHFFFAOYSA-N	239.362	4.612	0	10	BJAE	
CCCC1(CNC2C3CCCC2CCC3)CCC1	2050044986	VJPRKCPVGONSCT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](N)c1ccc(C)cc1	2050426724	PYOMZBJOBCGGJO-NVXWUHKLSA-N	247.426	4.991	0	10	BJAE	
CN[C@@H](C[C@H](C)CCC(C)C)c1cccc(C)c1	2050465148	QWLYPNGAWKUICB-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)[C@H]1CCCCC12CCC2	2053361063	WNCWHEGAAMYZOS-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC)C[C@H](C[C@H]2C=CCC2)C1	2055039529	PGCBPAXRPBYOMH-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccc(CCF)cc1	2055669883	PYDYDYABUOJQGR-ZBFHGGJFSA-N	249.373	4.579	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H]1CCC[C@H](C(C)C)CC1	2055671465	INZDXUOKUBPFDG-ULQDDVLXSA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C1(C)CCC2(CC2)CC1	2056554202	VMOLYKZQGAUQPS-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@H]1CC=CCC1	2056873288	LXQKMYSGJUZFDB-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@]12CCCC[C@@H]1C2	2059259504	PNBJPXODUQRFKG-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1CCC[C@@H]2C[C@@H]12)NCC	2059261936	ILBICBJZIKFBRN-JVFQJLMCSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](CCC2CCCC2)NC)CC1	2061149107	AIHAFALRPHVLPB-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(CN[C@H]2CCCCCC23CC3)CCC1	2062019360	IMGOIHSRCFPAJR-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CC23CCC(CC2)C3)C1	2065285445	FRSSNMHBYACXAS-VPABYTGTSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C1(CC2CC2)CC1	2069518076	UNKCTRRCKCTJRR-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCCCc1ccc(SCC)cc1	2069540526	AARFFNOOXBAESG-UHFFFAOYSA-N	208.370	4.531	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C1CCCC1)C1CC1	2070406376	AKFVGZYYBTUXBK-RHSMWYFYSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C[C@]1(N)CCCC2(CCCCC2)C1	2070977934	URBLEWXFDUZSOO-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(=O)C2(C(C)(C)C)CCC2)c(F)c1	2071925526	FWFIGQMFIFVSMK-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@@H]1C)C1=CCCCCCC1	2072077310	RWPBNRSXLCCFQM-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCC1(C[C@]2(N)CCCC3(CCCCC3)C2)CC1	2074629063	LKGVYEQQEOQWKZ-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@@H]1CCCC12CC2	2074634284	OQAZWTYQDJNJTL-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(CN(C)[C@H](C)CC(C)(C)C)c1	2074923320	WLATYWKEHKNDOD-OAHLLOKOSA-N	247.426	4.560	0	10	BJAE	
CN(CC1=CCCC1)C1CCC2(CCCC2)CC1	2075186766	VESGFHBEJGPWLJ-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1=O	2076445345	YXJSFEZVALKRMV-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CCN([C@H](C)c1ccccc1)[C@@H]1CCCC1(C)C	2078725085	OJXLCDZSPFMFDL-GDBMZVCRSA-N	245.410	4.648	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@@H]1C[C@@H]1C1CCCCCC1	2079524626	WPENSGQWLJGKIF-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H]2C[C@@H]2C2CCCCC2)N1	2079665239	JXVBPNSNEUJPHE-QBPKDAKJSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@]1(N)C[C@@H]1C[C@@H]1C1CCCCC1	2079671638	RHIHKDDZFABBSU-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079861018	FEKNHYGZEOFGLH-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
Fc1cccc(C(F)(F)F)c1-c1cccs1	2080299866	ASWUBPQZGTWXQE-UHFFFAOYSA-N	246.228	4.573	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C1=CC[C@H](C(C)C)CC1	2081784780	GVKUXBXQRYIJNM-RDJZCZTQSA-N	249.442	4.703	0	10	BJAE	
C[C@H]([C@H]1CCCC(C)(C)C1)N(C)CC=C1CCC1	2081796755	WHRBULULOZQERY-ZBFHGGJFSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1CC(=CC2CC(C)(C)CC(C)(C)C2)CCN1	2082984461	BBKIJIKMMOWHMD-CYBMUJFWSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC2(N)CC(C3CCC3)C2)C1	2082984483	BHERKTYKYMXJDK-KTAKPFMOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@H]2C[C@H]2C2CC2)C1	2082984867	FAJJFEZAZYHDGJ-INWMFGNUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCC)c1sc(C)c(C)c1C	2211699550	AXENGNDDATZFSA-ZDUSSCGKSA-N	239.428	4.514	0	10	BJAE	
CC1(C)C[C@@H]1C[C@H](O)CCCCCCC1CC1	2213577557	CTDJNCRYLAWKAQ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
Cc1csc([C@H](N)C2=CCCCCCC2)c1C	2213635335	FZAQVHTTZLWZQN-CQSZACIVSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@](C)(CC[C@@H]1C[C@H]1C)CNC(C)C	2215242664	DJYORCWDTVDBHG-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CC1(C)CC(C)(C)C1)C1CCCC1	2215394489	RWJNODPYRTVXBN-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CCCC(C)(F)F)NCC	2216273470	XKHWLHYSLDHZCX-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC(C)(C)C1(CC(=O)CCCC(F)F)CCC1	2216422109	WKSCFBBWTFKPDR-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)[C@]12CC[C@@H]1C2	2218724484	IXLBKRGPQWPISW-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
Fc1cc(F)cc(CC/C=C/c2ccccc2)c1	2219075765	HNXRCDVBMDNPBK-XBXARRHUSA-N	244.284	4.611	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@@]1(N)CCCC2(CCCCC2)C1	2220853700	SGTLPHPBGKKKCP-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cc(NCC(C(C)C)C(C)C)ccn1	2220884634	DMKXXEYSJIHXGC-UHFFFAOYSA-N	248.414	4.545	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2(C)CC3(CCC3)C2)C1	2221005321	HZYDZMIHVCDXEV-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
C(CCCC1CC1)CCCN1CC2CCC1CC2	2223118827	NHGZXTFSUIYEEW-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@@H](CC2(CNC3CCC3)CC2)C1	2223564793	IYWIBYYGEWTNCE-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)[C@H](C)c2ccccc2)C1	2224177769	YEFRWSKIGAOVEQ-IJEWVQPXSA-N	244.378	4.576	0	10	BJAE	
CCCC(=O)CCCC[C@@H]1CCC[C@@H](C)C1	2242770502	PPXHCIJHVHHWBF-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
Cc1ccn(CC[C@H](C)CCCC(C)C)c1	2244835181	BCENSWYOUYDYGA-CQSZACIVSA-N	221.388	4.649	0	10	BJAE	
CCN[C@H](CC)CCC[C@H]1CCCCC12CC2	2246627020	ODHIQPVUKHFRHN-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC1=CCCCC1	2247489859	JZUXUFPKXCGHEO-GOEBONIOSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC1(C(C)(C)C)CCC1	2250373110	SOBJRGRSCXPFNR-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2250377616	GJBASZBUNSROIA-CWVYHPPDSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCc2sc(-c3cccc(C)c3)nc21	2252747483	HHPVSHYVYWGLBT-LLVKDONJSA-N	243.375	4.558	0	10	BJAE	
Cc1cccc2c1N[C@@H](C[C@@H](C)CC(C)C)CC2	2253862008	GXYMBANYONVKPQ-XJKSGUPXSA-N	245.410	4.794	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@]12CCCC[C@H]1CCC2	2254508478	BBUQDNJZYOCOEG-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C1CC2(C1)CC2(C)C	2254597741	XVTJLOBZJAFSBX-GXZXJKLZSA-N	248.410	4.598	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@@H]1CCC12CCC2	2255016943	WBLAKHLJYGOCME-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(OCCCCC[C@@H]2C[C@@H]2C)c1	2257250272	XLYMLSXUAOFUHM-GOEBONIOSA-N	246.394	4.844	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1ccc(C2CCC2)cc1	2259445915	XRHLEAAMBZRCQE-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
C1CCCCN(C[C@@]23CCCC[C@@H]2CC3)CCC1	2260566715	ODNBPKIELIHHPW-SJORKVTESA-N	249.442	4.613	0	10	BJAE	
CC(C)(C)C[C@@H](N)c1cccc(C2CCCC2)c1	2260673405	JWIMQVKXXVJSBQ-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCCC[C@H](CC)CC[C@H]1CCC[C@@H](CC)N1	2300184600	IENZTSLPHWYUDJ-ARFHVFGLSA-N	239.447	4.904	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H](C)C1CCCCC1	2300684562	VYKRPMBJLHUQRG-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@](C)(N)[C@@]12CCCC[C@H]1C2	2300704968	YSFAVIZRSRLXCJ-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC[C@@H](O)c1cccc(C)c1	2300705332	CHNMIWPLFQZFML-MRXNPFEDSA-N	234.383	4.635	0	10	BJAE	
CCC(C)=CC[C@H](O)[C@@H]1CCC[C@@H](CC)CC1	2300875346	UINUNVOCVZAKHG-OAGGEKHMSA-N	238.415	4.700	0	10	BJAE	
CCC(C)=CCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1O	2300907675	VNVZUBQLTVCEHO-RRFJBIMHSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H]1CC[C@@H]1CC=C(C)CCCC(C)C	2300916457	NYDAVLWZONHUQK-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@@H](C)[C@@H](C)C(C)C)CC1	2301863831	HYGPGEQHDKTGOY-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccc(F)cc1NC1CCCCC1	2301905864	SBRWQKJTDLEWQE-UHFFFAOYSA-N	235.346	4.694	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(O)CCCCCCC1CC1	2301915640	STJDGKUSZYXSFL-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(-c2cccc(OC3CCC3)c2)cs1	2302242139	TUEHRFWLJOHJNV-UHFFFAOYSA-N	244.359	4.655	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CCC(C)(C)C1	2302875287	GYKRFSFNEVHIBW-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CC[C@@H]1C(C)(C)C)NC	2303472352	PQXDWQFNRGOXJB-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@@H]1CCC(C)=C(C)C1	2303603904	XXEGHEMVBQVKJL-IMJJTQAJSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CC)C[C@](N)(CC1CC1)C1CC1	2303742333	RHZMNCPGHKJYFN-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCSc2cccc(N)c2)C1	2304389985	IPKJGRHUIGGWNC-GFCCVEGCSA-N	249.423	4.577	0	10	BJAE	
CCC(C)(CC)C(=O)C12CC(CC(C)C)(C1)C2	2304395127	YRJGZNBXHCBQGI-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H]([C@@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2308421182	GDRJYTPPFKFXDK-XJNFMUPTSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCCN[C@H]2CCC[C@@H]3CC[C@H]23)CC1	2309518077	PHTHJYFDJNNNRW-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@]12CCC[C@@H]1CC2	2313291508	YDKIBKUBTPZFLC-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CC1=CCCCC1)C[C@@]12CCCC[C@@H]1CC2	2313346766	REQBAPSFNHMFNV-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C(CC2CC2)CC2CC2)C1	2313626348	GZHJSYJEBOACRU-IUODEOHRSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@H](C)CC1CCC1)c1ccccc1	2313691734	IEFLDLNZJPLPEQ-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1C[C@H]2CCCC[C@H]21	2316534465	BZMPUJXTUWEODL-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@@H](C)[C@H](C)C(C)C)c1cccc(C)c1	2317994113	GATVWDJOYHRTBL-BFYDXBDKSA-N	247.426	4.574	0	10	BJAE	
CCCN[C@@H]1CCc2cc(C(CC)CC)ccc21	2318399683	SSHWNJCOMMFIJA-QGZVFWFLSA-N	245.410	4.577	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC[C@@H]2CC[C@@H]2C2CC2)C1	2319751221	VSRJEVIWYAHAQC-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@](N)(C[C@@]23CCCC[C@@H]2CC3)CC1	2320266563	VRMQFHMETPIAIS-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
CCC1([C@@H](C[C@@H]2CCC(C)=C(C)C2)NC)CCC1	2320394362	OVOBSRAJPBFSJL-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)N[C@H](C)c1ccc(C(C)(C)C)cc1	20545862	JCUZKHSKQWWTSW-CYBMUJFWSA-N	247.426	4.823	0	10	BJAE	
CCC[C@@H](C)CNc1ccccc1C(F)(F)F	20546395	YGWDIGPKMRFKKX-SNVBAGLBSA-N	245.288	4.554	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1C)c1cccs1	20560772	MBWOWHAPBRSMIT-ZDUSSCGKSA-N	245.391	4.928	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccccc2F)cc1C	22152467	FJNIBDRGCYAOPY-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1ccc([C@@H](C)CC)cc1	35469063	AJHIWQZGWSPVGS-GRDNDAEWSA-N	247.426	4.897	0	10	BJAE	
Cc1cc(C)c2nc(C(C)(C)C)cc(Cl)c2c1	36912832	VAXRBJDMJACPCN-UHFFFAOYSA-N	247.769	4.803	0	10	BJAE	
O=C(CC1CCCC1)c1ccc2ccccc2c1	54439829	YHAPOXKFXPQGCW-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
CC(C)c1ccc2c(ccn2Cc2ccccc2)c1	75232775	DHTIJUWGKCPWRO-UHFFFAOYSA-N	249.357	4.813	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)c1ccc(C(C)C)cc1	84400405	QROSPKJWDDTCSJ-HUUCEWRRSA-N	247.426	4.692	0	10	BJAE	
C[C@H]1CC(CC[C@H](O)c2ccccc2)C[C@H](C)C1	84958462	ZHKXURJWTYCJOV-CPUCHLNUSA-N	246.394	4.573	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1C[C@@H](C)CC[C@@H]1C	85086749	CPLHRPYPBCFUOY-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](Nc1ccccc1C(C)(C)C)C1CC1	86116949	UEBLDFYFECKCQU-AWEZNQCLSA-N	231.383	4.585	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H]1CCC[C@@H](CC)CC1	86909359	OHTITQHZKSEITL-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC([C@H](O)c2ccccc2C)CC1	87960672	KKYHPWIZUAQYGU-DQPZFDDXSA-N	246.394	4.635	0	10	BJAE	
CCCCC[C@H](CNC(C)(C)C)c1ccccc1	88099024	YFOKYXSAHUTJOO-MRXNPFEDSA-N	247.426	4.739	0	10	BJAE	
Cc1ccc(NC[C@H]2CCC[C@H](C)C2)c(C)c1	89586086	OXTSNOFOEGGYHL-WFASDCNBSA-N	231.383	4.542	0	10	BJAE	
CCCN[C@H](CC)c1ccc(C(C)(C)CC)cc1	90482426	BVIAMWNVGOLGOS-MRXNPFEDSA-N	247.426	4.825	0	10	BJAE	
CCCCCC[C@H](CNCC)c1ccccc1C	93104383	WXUFUOBSSFARMJ-MRXNPFEDSA-N	247.426	4.659	0	10	BJAE	
CCCc1ccc([C@H](C)N[C@H](C)[C@@H](C)CC)cc1	109927867	XXEPLBFDEMINAI-ZNMIVQPWSA-N	247.426	4.724	0	10	BJAE	
c1ccc(NC2CCC3(CCCC3)CC2)cc1	129188801	SGAZCNJDYWWIPA-UHFFFAOYSA-N	229.367	4.602	0	10	BJAE	
CC(C)CCCNc1cccc2ccccc12	165169937	BSXAEBKMQVBVMX-UHFFFAOYSA-N	227.351	4.688	0	10	BJAE	
O[C@@H](c1cccc(C2CCC2)c1)C1CCCCC1	168743227	HOQZFDASMMVQQO-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@]1(CO)C=CCC1	225338434	YFURLVUMDBVWHF-CVEARBPZSA-N	238.415	4.558	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCC[C@@H](CC)CC1	226517236	HERSPXUQKAJLBC-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@H]1CCCCC1(C)C	226563752	OODSGFRDHLCEHN-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@H](O)[C@H]2CCCCC2(C)C)c(C)c1	226653526	RCRSRCOSAYQKNO-CVEARBPZSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)c1c(C)cccc1C	228050404	RDQYYUFDOHDUKZ-HLLBOEOZSA-N	246.394	4.553	0	10	BJAE	
C[C@@H](CC1CC1)Nc1cc(Cl)ccc1Cl	229667585	VGJCJVMQADVALZ-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
CCC(CC)C[C@H](N)c1scc(C)c1Cl	232879090	HQLRYNWIIHPXOR-JTQLQIEISA-N	245.819	4.536	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1Nc1cccc(Cl)c1	235244128	WRFYMPBCIHEDJH-MFKMUULPSA-N	237.774	4.577	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCC[C@@H](C)CC1	251638403	FVMZMKXUFLMJOP-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1[C@@H](C)CCC[C@H]1C	252097895	FTTHFEJRJMZCLK-XUWVNRHRSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCC[C@H]1CC	252403175	BCDIGLNIKSTYLZ-ZNMIVQPWSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@H](C)C(C)(C)C)C1	253058694	ZZUULIJJYXRGMW-LJISPDSOSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCC[C@H](C(C)C)C1	300316506	RTQHZMGVKJWDIO-CWRNSKLLSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(CC(=O)CCCC(C)(C)C)cc1C	305901693	BVKGFWHUJNIICF-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CC[C@H](C(=O)CCCC(C)(C)C)c1ccccc1	305906672	FUWOLYPTAJREGY-HNNXBMFYSA-N	246.394	4.966	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@H]1CCC1CCCC1	305977798	QWDBHSJTMZBUDL-BBRMVZONSA-N	243.394	4.630	0	10	BJAE	
CCc1cc(Cl)c(Cl)c2sccc12	306706930	QWAXUXABNVHMAE-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC1(C)CCCC1	310351211	HFMKCZSYWXZQAL-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H](C)[C@H](C)CC	318943441	WLZNYFSNLDMANG-IJEWVQPXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)[C@@H](CC/C=C\c1ccccc1)NC	324339679	XTGOQJBXHOSFDU-LOSYYMKXSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CCCCC1)C(C)C	380187601	ZENLAWZIBOJSCC-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)C1CCC(C)CC1	382667436	PSMFYKKITIHVIB-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NCC)c1ccccc1C(C)C	383432873	CGXIMNPZHHEZHJ-INIZCTEOSA-N	233.399	4.651	0	10	BJAE	
CC(C)CC[C@@H](N[C@H](C)CC(C)(C)C)C1CC1	384486131	ILQFIJJUADPVQE-UKRRQHHQSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](C)c1ccc(O[C@@H]2C[C@H]3CC[C@H]2C3)cc1	385367869	MYQHWDXXPQAWDD-RPCCPQHDSA-N	244.378	4.768	0	10	BJAE	
C[C@H](C[C@](C)(O)c1ccccc1)C1CCCCC1	386790916	LKIWETPFWBCEPA-PBHICJAKSA-N	246.394	4.501	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCCC23CCC3)cc1	394763702	HGAFCINTYSHLOC-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CC(C)CCCCCC[C@@H](C)CNCC(C)C	394834519	WBJGGQIOBBILQB-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCCCCC(=O)c1cccs1	394868641	QVVLNYVQAQBXTN-UHFFFAOYSA-N	224.369	4.537	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CCC1=CCCCC1	395385250	SMDZNYUSZLGUNO-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@H](CCC1CCC1)c1ccc(C)cc1	398615658	BZIWMPKAXUNNLF-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
C[C@@H](CC(=O)C1CCCCCCC1)C1CCC1	398655653	MMKORBDALUNDLP-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)CC1(C)CC1	688399308	UKEXTVNCWLJNKW-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cccc(C(C)C)c1	688982667	CSKUCDKUEHAXIW-CYBMUJFWSA-N	232.367	4.819	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)CC2CCCC2)c1	689800711	NPQCMAZBJYDQRJ-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
Cc1c(Cl)cc(NCCC(C)C)cc1Cl	690296626	VNHPHWUXOFHFHO-UHFFFAOYSA-N	246.181	4.760	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1N[C@@H](C)C1CCCC1	691168640	BOOBDBLLSMCNCT-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)cc1Cl	691263071	AIIOGGFOFWJGFZ-NJZAAPMLSA-N	249.785	4.503	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC12CCCC2	694370606	NQEBXTQUCGVWOK-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(C(C)(CC)CC)CC1	701046587	DDUSOLJDELLAQW-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
C[C@H](C[C@@](C)(N)C1CCCC1)C1CCCCC1	704899298	OESWRCAIMSENEB-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C[C@H](C)CC(C)(C)C	709139661	JCSNHOYRADZAMA-WFASDCNBSA-N	247.426	4.766	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C1CCC(C)CC1	709202189	WIJKEGGICQZWPO-GYTBAZASSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(O)C[C@H](C)CC(C)(C)C	709261578	QUEUVYKGMBMSCY-NYTXWWLZSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCN[C@H](C)CC1CCCCC1	709769689	FXWQIQTZRHDXIZ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C[C@H](N)c1cc(C)ccc1C)C(C)(C)C	711054351	OZHZYGZMRBZKQG-HOCLYGCPSA-N	247.426	4.766	0	10	BJAE	
CCN[C@H](C[C@@H](CC)C(C)(C)C)C(CC)CC	711071748	OLIRQLJJCQWPSJ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CNC[C@@]1(CC2(C)CCCC2)CCC=CCCC1	718997340	OXKDXPUAKNMMSH-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCC[C@@H]1C[C@H]1N[C@H](CC)CC1CCCCC1	720990873	ZFCBCBRPMHTOKK-BZUAXINKSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)C1CC(N[C@@H]2CCCC23CCCC3)C1	1206017781	WAVOPHNEDLDQET-YMAMQOFZSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](CCC)C1CCCC1	1207358557	WNVGYXXBHFXGNK-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@@H](C)C(C)(C)C	1560127949	ZVYIRTLUYZQYDE-CABCVRRESA-N	241.463	4.817	0	10	BJAE	
CC[C@@H](C)[C@H](C)Sc1ccccc1C	1643656104	HVWCSQDXODFSGO-PWSUYJOCSA-N	208.370	4.522	0	10	BJAE	
CCC(CC)CCC(=O)CCCC(F)(F)F	1900694155	WBLQVVDETHXINW-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
C=CC=CCC[C@@]1(O)CCC[C@H](CCC)CC1	1911973999	JTWRNJHHOURPOL-JKSUJKDBSA-N	236.399	4.620	0	10	BJAE	
CC1(C[C@@]2(CNC(C)(C)C)C=CCC2)CCCC1	1916338686	YXVNRYNXIJVURN-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@H]3C[C@@H]3C2)cc1	1917328505	GOCIUEJIDWSGNY-MKVSYHDVSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc([C@](C)(O)C[C@H](C)C(C)(C)C)c(C)c1	1919933034	DCYNKDJTZWISTM-WMLDXEAASA-N	248.410	4.583	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@@H]1CCCC12CCC2	1921596388	WTTDRHQOUIOEIE-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@H]1CCCC12CCC2	1921631558	ZYULWDIBWKSIRD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(CCNC2C[C@H]3CCC[C@H](C2)C3)CCCC1	1923479372	GVCNEVNZYDHYBR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H](CC(C)C)C(C)C	1936209313	NFVSVUPGBXMKQP-UONOGXRCSA-N	226.404	4.700	0	10	BJAE	
CCc1cc([C@@H](O)C(CC)(CC)CC)cs1	1936759974	XPGJWAYZAUKZES-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
CCCC[C@@](CC)(CN)[C@@H](C)CCC(C)C	1937168415	IETIFWRCUOGIFX-GJZGRUSLSA-N	227.436	4.604	0	10	BJAE	
CC1(C[C@@](C)(O)CC2CCCC2)CCCCC1	1940408375	KWZOPRQWAZXWKF-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@](C)(CCC[C@H]1CC1(C)C)CNC(C)C	1940874988	WJFRADHNGXUTET-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCC[C@@H]2CC2(C)C)C1	1940881976	OBUFJCKKWRBZOP-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CCC(C)(C)CC)NC	1941268868	KHCGEBJCSNYRJW-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)CCC[C@@H](CNC(C)(C)C)C1CC1	1942091598	UJLYAZSNLNODSI-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@](C)(O)CC1CCCCC1	1944854224	XBWKOEBRZLXNGG-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC[C@H]1C=CCCC1)C(C)(C)C	1947584303	FRGLSMOIJUENFP-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCCC)C1CC(C)(C)C1	1948156283	VFIODRPUMJIMDS-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1cccc(C)c1C	1948945344	PMPHQDGRFPNUNM-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H]1CCC(C)(C)C1	1949552716	TUKSNEPUBIWTEB-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@H](N)CC1CCCC1	1949861104	BXEDJYCDYXYFQP-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@]1(CN)CCCC(C)(C)CC1	1950920519	WGMBVTZMQBWNMA-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
Cc1cc(C)cc(NCC2CCC3(CC2)CC3)c1	1968307153	FEBXYOJBHIWOSY-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CSc1ccc(N[C@@H]2CC[C@H]2CC(C)C)cc1	1968457435	ZSROJQFVILRWIE-SWLSCSKDSA-N	249.423	4.645	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1CCCCC12CC2	1972726079	VLWWKLOKBNDVEK-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@@H]1CCCCCCC[C@H]1O	1980351181	MAEOLRKMTXMMOF-HUUCEWRRSA-N	226.404	4.678	0	10	BJAE	
CC[C@H](C)[C@@H](C)CC(=O)c1cccc(Cl)c1	1980684575	IIVULEYBYOTYPS-QWRGUYRKSA-N	238.758	4.595	0	10	BJAE	
CCC[C@@H](N)CCCCC(C(C)C)C(C)C	1988261469	YCZRJJNBFKHMNU-CQSZACIVSA-N	227.436	4.602	0	10	BJAE	
C[C@H](N[C@H](C)C1CCCC1)C1(C)CCCCC1	1995983853	SJTYHEQGGNXQRK-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H](O)CC2CCCCCC2)C1	1996267144	FEMGUPUWNFDHRG-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CCCC2CC2)CC1	1997105790	PJBZNIWKQRTUJG-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]([C@@H]1CC=CCC1)C(C)(CC)CC	1997543067	DJKJRRXDQTYWIX-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]([C@H](N)C[C@@H]1CCC=CCCC1)C(C)(C)C	1999988547	RHHAEMGTYYKVEY-RRFJBIMHSA-N	237.431	4.523	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CC1(C)CCCC1	2000294748	YECBLAKQLNZRGO-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
CCCNCC(CC)(CC)C[C@@H](C)C1CCC1	2000500662	WVCSSTAUSPCHFK-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCCCN(CCC[C@H]1CC1(C)C)[C@H](C)CC	2000907321	OGCSVMCYHTTZCE-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](C)[C@]1(O)CCCCC12CCCCC2	2001604288	QPHCBHBNOFTLIS-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@@H]1CCC12CCC2	2001851933	QOLXHIHPGVLZTA-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](CC(=O)C1CC(C(C)C)C1)C(C)(C)C	2002324508	NJFIFCFFXZJVJY-JXQTWKCFSA-N	238.415	4.700	0	10	BJAE	
CCCC=CCN[C@@H](C)[C@H]1CCCC(C)(C)C1	2003016629	HHOFOYADWVKMQR-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
O=C1CCCCCCC[C@H]1CC1(F)CCCC1	2003070730	RABRXRXIGCLPQR-ZDUSSCGKSA-N	240.362	4.588	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)CC2(C)CCCC2)CC[C@H]1C	2003179734	RWQHFGZXSNEVDP-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@]2(C)C=CCCC2)C1	2003327777	YMAXDDKCQXXMEG-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
CC1(C(=O)C[C@H]2C=CCC2)CCCCCCC1	2004937458	PCGILFOHPXPFMB-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@]1(CNC2CC2)CCCCC1(C)C	2005579623	KUHGXEDRLFUUDO-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H](C)c1cc(C)sc1C	2007023308	ICAKDQHDTABBLD-WFASDCNBSA-N	249.423	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)C1(C)CCC(C)CC1	2007694116	GSFUMWZQPHKMRA-LVDPKSTMSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C)([C@H](O)CC(C)(C)C(C)C)CC1	2007695106	IXYBOKJWGDKDFJ-NPCAHTBFSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC(C)([C@@H](O)CC2(C)CCC2)CC1	2007697712	QBHWKWPWERVQOT-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](O)C1(C)CCC(C)(C)CC1	2007698491	TUZZKLILNHSURG-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@@H](CCC)CC(C)C	2007856775	GGRXIEXUZIDCSA-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)CCC1=O)C1CCC1	2009412214	WFJPOCBEXQWXOP-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H](O)C1(C)CCCCCCC1	2009588323	JJAJNGDJLOYHJS-BWPKMQGJSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@H](NC)C1CCC(C)(C)CC1	2009593566	BYGDVPQUECWSTP-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H]1CCCC[C@H]1CC	2009635833	QYLNSKGOYAKIBC-ZGWFHWIISA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@](C)(O)C1=CC[C@@H](C(C)C)CC1	2010718929	LEBIBIGJUWZXPH-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
C=C=CCC[C@](CC)(CCCC)CNCCC	2010986359	XYGUQQKDMLXRJX-INIZCTEOSA-N	237.431	4.694	0	10	BJAE	
CC(C)c1ccc(CC2CC(=C3CC3)C2)cc1	2011088268	DTIYJZSIEVEJMQ-UHFFFAOYSA-N	226.363	4.853	0	10	BJAE	
C/C=C/CCC[C@](CC)(CNC(C)C)C(C)C	2012427847	YAYRCAORDMHBMJ-MNDMWVCDSA-N	239.447	4.783	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1C=CCCCCC1	2013320215	SWAWJLWRXGZWAS-HZPDHXFCSA-N	237.431	4.680	0	10	BJAE	
CC(C)C(CC[C@@H](O)C1(C)CCCC1)C(C)C	2015333745	DEUUTQBGWNJQGX-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
CCNCC1(C[C@H](C)C(C)C)CCCCCC1	2015400750	RDCBJINFRAXSOM-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC)CCC1(CCC)CCC1	2015646874	BOHHJRCQNOEYEV-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C1(CC(C)C)CC1	2015755899	XPECANBIZKHRJE-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)C1(C(C)(C)C)CCC1	2017489922	JMAKYHIBRIKDOK-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@@H](C)CCC)CC1	2017721472	KNOPNUBNTOMEGH-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(CC[C@H](C)CNC(C)C)CC1	2017736757	LDPWIJHINUCPCI-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)C1CCCCCC1	2017745652	CSERFPJMCOJIIS-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@H](C)CC(C)C	2018188353	MIZHNMKUHLRAHJ-HZPDHXFCSA-N	241.463	4.959	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@]12CCCC[C@H]1C2	2018572946	GGAOMLOILVSNPG-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(N(C)C[C@@H](C)CCC)CC1	2019286189	QVRHMMIHYHLIAO-FHERZECASA-N	239.447	4.713	0	10	BJAE	
CC[C@H]1CC[C@H](CN(C)[C@@H](C)CC(C)C)CC1	2019295577	NCYXDOIOTZTHSR-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H](C)CCC1CC1	2019340375	NBJDBJGSTCULAI-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCC(C)(C)[C@@H]1N	2020361295	OJZPPSMTKOHDIM-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2CCC(C)(C)CC2)C1=O	2023994151	QMGAARLESYVUSO-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C)[C@H](C)C[C@@H]1CCCC(C)(C)C1	2024100501	CYDHDZYLTFVSCW-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(CCC2(O)CCC2)CC(C)(C)C1	2024121761	FUGYDEDFBXEUBC-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC1CCCCC1	2026167965	WMAWVVUMKBXMAP-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC(C)(C)C(F)F	2026172250	XYBZBHPWHREFRI-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
C[C@@H]1CC=CC[C@@]1(CN)CC1CCC(C)(C)CC1	2027924060	QXPYDFCEONXLMF-PBHICJAKSA-N	249.442	4.524	0	10	BJAE	
CCN[C@@H](c1cccc(C2CC2)c1)C(C)(C)CC	2028564009	ZMYVEKFRMNMAHW-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccccc2C2(C)CC2)C1	2032242598	JROALQQLKFLRIN-KBPBESRZSA-N	243.394	4.729	0	10	BJAE	
C[C@@H](NC1C[C@H]2CCCC[C@@H]2C1)C1CCCCC1	2034142325	AXOKSRQAAAXMFO-FVQBIDKESA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)c1c(C)coc1C	2035531150	DXPIWYFBBGTCIF-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
NC1(CC2[C@H]3CCC[C@H]23)CCCCCCCCC1	2035884399	ACFSHJDCMACMTQ-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
Cc1c(C(=O)[C@@H](C)CC(C)C)oc2ccccc12	2036374029	GUNCWLPVIGRKNW-NSHDSACASA-N	244.334	4.606	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CCC3(CC3)C2)cc1	2038572688	RRRAPTJGKKEYFX-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@H]1CC12CCCCC2	2039084807	JDPSMPKHHFBUCL-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NC[C@@H]1CC12CCCCC2)C1CCC1	2039091498	JDSFWKZKAWBNJP-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)CC1(N)CC2(C1)CC1(CCC1)C2	2039462777	XAPQDYLJFUUZRU-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC1C[C@H]2CCC[C@@H]2C1)C1(C)CCCCC1	2039860882	ZMQJRJGIVHFXDD-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](NCC1(C)CCCCC1)C12CCC(CC1)C2	2039866368	XXAYGJPOPJQWLV-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2[C@H]3CCC[C@H]32)CC1	2041385943	GSVUQIPKAKFFOQ-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@]2(C)CC=CCC2)CC1	2042071904	LAAPKQSXTSGREE-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1N[C@H](C)c1ccoc1	2043062865	RDXGGTMZAQWJOB-FVQBIDKESA-N	249.398	4.535	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1N[C@H](C)CC1=CCCCC1	2043187764	OGMGZBOABDVUES-OIISXLGYSA-N	249.442	4.680	0	10	BJAE	
C[C@]1([C@H](O)C[C@@H]2CCC=CCCC2)CC=CCC1	2045335790	WDIILOYFRSEKTF-ZACQAIPSSA-N	248.410	4.620	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C[C@@H](C)c1ccccc1	2045557280	MPBYBVRDKNVLJG-LSDHHAIUSA-N	246.394	4.822	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@@H]1CC12CCCCC2	2047058223	HKHQNGDZBGXPDD-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H]1[C@H]2CCCC[C@H]21	2048364580	ZPNJGBBEKDNTOJ-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	2048468368	FKLOBMMVCLZBLJ-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC1[C@@H]2CCCCC[C@@H]12	2048472013	TYTJYYDTBWYBMD-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2[C@H]3CCCC[C@H]23)C1	2049514439	INBMBBURLWDTGS-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CC[C@@](C)(N)c1ccc(C(C)(C)C)cc1	2051399542	HRAYZWCGUJOASY-QGZVFWFLSA-N	245.410	4.514	0	10	BJAE	
C1CC(CCCN2CCCC[C@@H]2C2CCCC2)C1	2051672461	UDBLXNUIKLAMQG-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCCCCC[C@@H]21)C1(C)CCC1	2052354800	WUWIMNLINGGILV-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCCCC23CC3)CC1	2053312922	ZLVSIJKUKMXPIG-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CCCCC12CC2	2053405935	AYXIWFSDEJEGST-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CCCC[C@@H]2F)c1	2055144679	FLNNWTIUXKADRS-GJZGRUSLSA-N	249.373	4.504	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCC[C@H]2C(C)C)c(C)c1	2056447609	COUOWCNUPYKYCD-GOEBONIOSA-N	244.378	4.558	0	10	BJAE	
CC1CCC(C)(C(=O)CC[C@H]2C[C@@H]2C2CC2)CC1	2056535371	BLRDCDRMNGXCBD-WSYIQSFVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C)(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2056535956	LGPTUPNQSOTRMQ-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)C(C)(C)C1CCC1	2056875556	HWAHAJAZUXLGKQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1NC[C@H](F)C1CCCC1	2058032236	XJXBVHQBQBMKSK-HNNXBMFYSA-N	249.373	4.750	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C12CCC(CC1)CC2	2059179563	CAPVMSBVGCNIML-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
C=C=CC[C@@H](C[C@H](C)C1CCCCC1)NCCC	2059443678	HNDWEIINDGUPRB-RDJZCZTQSA-N	249.442	4.692	0	10	BJAE	
C[C@@H]1CC[C@H]([C@H](N)C2=CC[C@H](C(C)(C)C)CC2)C1	2061093491	YBLBVDHOTNMSFF-SYAUCNOPSA-N	249.442	4.523	0	10	BJAE	
CC(C)C1CC(N)(C2=CC[C@H](C(C)(C)C)CC2)C1	2061112598	HRLXKKSYSGJXPM-UUCFBXCCSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC=C([C@@](C)(F)c2cccc(N)c2)CC1	2061136680	BNLCTSAMFFQUHE-MRXNPFEDSA-N	247.357	4.590	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCC1CC(=C2CCC2)C1	2061640610	OFIYHHFWWHQDND-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@H]1C)C1(C)CC=CC1	2062642054	NISVSNDHAGEUJX-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063417856	IFVVKQKBPBZGCP-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CC[C@H]1C[C@@H]2CCC[C@@H]2C1)CC1CCCC1	2063488337	BAEVIRSOWLPBMY-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063492042	WHYJTKDWSJHSOI-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
N[C@H]1CCCCCCC[C@H]1CC12CCC(CC1)C2	2065337359	MDRFFZZPJHWHNG-YZUHTNEWSA-N	249.442	4.645	0	10	BJAE	
CCOc1ccccc1N[C@H](CC)CCC(C)C	2065989445	CWJZNSAKRXQCMW-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@H](C)C1(C)CCCC1	2067507271	AAOCJYFNLKBVIX-HUUCEWRRSA-N	245.410	4.614	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)C[C@H]2CC23CCC3)CC1	2069205930	YEJNDOWALYBRMG-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@](O)(c2ccccc2)C(C)C)CCC1	2069283342	CZDYMMFNGVVCND-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CC[C@H](CNc1ccc(C2(C)CC2)cc1)C(C)C	2070283702	YCHADNNDDUHRQX-CQSZACIVSA-N	245.410	4.832	0	10	BJAE	
CC(C)C1(C[C@@H](N)C[C@H]2CCC23CCC3)CCC1	2071943585	OLXLKCWOIJXBPC-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC[C@H](NC[C@H]1CC[C@H](CC)CC1)c1ccco1	2072681683	LOAGYGLEIXAGGR-KKUMJFAQSA-N	249.398	4.537	0	10	BJAE	
NCC1(C[C@]23CCCC[C@@H]2C3)CCCCCCC1	2074028987	KTOZVMABGDPVRX-NVXWUHKLSA-N	249.442	4.646	0	10	BJAE	
CCCC1(C[C@H]2C[C@@H](C)c3ccccc3N2)CC1	2074637292	UFRGFOXLYZPYJX-ZIAGYGMSSA-N	243.394	4.945	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@H](C)c1ccccc1	2074897927	ZBFHPEAAOLFNHZ-BFYDXBDKSA-N	245.410	4.648	0	10	BJAE	
CCC[C@H](C)CN1CC(C)(C)Cc2ccccc21	2075085984	HFILSDZPXUOSIV-AWEZNQCLSA-N	245.410	4.512	0	10	BJAE	
Cc1c(F)cccc1C(=O)[C@@H](C)C1CCCCC1	2077837284	PSMXNCSBTDMIMN-NSHDSACASA-N	248.341	4.533	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H]1C[C@@H]1C1CCCC1	2079428892	SJTFPZCBFDPPFX-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1C[C@H](C)CC[C@H]1C	2081945837	ACYNEOYNKSLZGN-XHBSWPGZSA-N	249.373	4.625	0	10	BJAE	
CCCN[C@H](C)c1cccc([C@H]2C[C@@H]2C(C)C)c1	2082715852	UPWDSCFDYFGLHY-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CCCCC1CC1	2214551530	GTEZXZCFOMCXFC-MRXNPFEDSA-N	239.447	4.857	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@@H]1C)C(C)(C)CCC	2216282872	MYEAKTFWJJRWFT-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCNCC1(CCCCCCCC2CC2)CC1	2216859190	HGNAPGGQZBWQHV-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C[C@@H]1[C@H](C(=O)CCCCCCCC2CC2)[C@@H]1C	2216896051	IEJSLNQCPJPGFS-YWVIFJGQSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)NCC(C)(C)C[C@H](C)CC(C)(C)C	2217137327	BIYGVZQALDGLLY-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCCCC1(CN[C@H](C)CC)CC(C)(CC)C1	2217142479	WQEHFHHSYPTGEK-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CC(C)NCCC=CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218364518	IZVPQCMCTKWUEY-OSYLJGHBSA-N	249.442	4.537	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C[C@H]1CC[C@@H]1C	2220633890	OAFMSLRNWAZRLA-UONOGXRCSA-N	244.378	4.504	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CC1(C)CC(C)(C)C1	2221024330	AGRMQUXYONZWNJ-SOUVJXGZSA-N	249.442	4.523	0	10	BJAE	
CN[C@H](C[C@@H]1CCC[C@H]1C)[C@@]1(C)CC=C(C)CC1	2221620337	YNDDTZSPENQSHL-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(CC2CC3(CC3)C2)C1	2222271746	ZBSQGBWDCRJDHB-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CCC1CC([C@@]2(CN[C@@H](C)CC)CC=CCC2)C1	2223603516	ZORCDGQUXARMEY-OTBWCIGPSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1(C)CC(C)C1	2246557422	LSHUASSSWSSFNG-NPCAHTBFSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@@H]1CCCCC12CC2	2246614965	PSVVKTSQMPXHPT-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC)NCCCC[C@@H]1C[C@@H]1C	2247121905	JACIUVHMXOBVOB-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@H]1C[C@](C)(O)C1(C)CCCCC1	2247350935	VQESFWSQUJXONK-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC1=CCCCC1	2247489858	JZUXUFPKXCGHEO-GDBMZVCRSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C)C[C@H](O)c1cc(C)c2sccc2c1	2248568241	NPWCYMVJCNAGPL-YGRLFVJLSA-N	248.391	4.679	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)CCCC(F)F	2248843283	UCDORCXIXFKKJA-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)(CN)CC[C@@H](C)CCCC(C)C	2250467297	PGKQVUQSSKMGRO-HNNXBMFYSA-N	241.463	4.994	0	10	BJAE	
CC1CC(C)(CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2253752577	NJKJUFAYJNPJFE-PRMLZIFMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@]1(C)NCC[C@H]1CCCCC12CC2	2253884985	YBAMKHBVJGITSP-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C(=O)CC[C@H]2CCC[C@H](C)C2)c(C)o1	2253937305	HWLNUJOTCJENHO-SMDDNHRTSA-N	248.366	4.686	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C2CC3(CCC3)C2)C1	2253939279	RKNDHCXRPLHKJY-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(CC)Oc1cc(C=O)cc(C(C)C)c1	2254720971	BQSWWXDYMUYETL-UHFFFAOYSA-N	248.366	4.580	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@H]1CCC12CCC2	2254974732	QYEVXBYQTKWBBM-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(CC2=CCCCC2)CCCC12CCCCC2	2255094250	MQMPUJXBUQQMEA-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC(C)C1(C[C@H](N)C[C@H]2CCCC23CC3)CCC1	2255229950	ZGRWPKYOIWNGGE-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C[C@H]1CCCC12CC2	2255340153	YXEDSJLKJYFTFC-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)CCCC12CCC2	2257249004	RHQPQAJCPSVTDU-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H](C)[C@H]2C)cc(C)c1C	2258240029	SWEBOCJPNIGFKW-UXEPBGEESA-N	245.410	4.848	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@@]12CCCC[C@H]1CC2	2260491864	XBTFVTQYKFAWRZ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C1CCCCN(C[C@]23CCC[C@@H]2CC3)CCCC1	2260565462	AXKJMFDNROPKNT-IAGOWNOFSA-N	249.442	4.613	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@]12CCC[C@H]1CC2	2260581325	DEEZRPNBWIQXDU-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@]12CCC[C@@H]1CC2	2260678877	NTBGVXUGMMUUPT-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C[C@H]2CCNc3ccc(F)cc32)C1	2261339462	QLINAARZMRBGSV-WXRRBKDZSA-N	247.357	4.551	0	10	BJAE	
CCC(CC)CC[C@H](O)C1(C)CC2(CCC2)C1	2300673448	HZPAUMDHTRUWKY-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC[C@@H](CC1CCCC1)NC	2300681962	USGVIKIKFBBNLW-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@H](C)[C@H](O)c1ccccc1	2300686510	RISUVHSJPCGDNK-BBRMVZONSA-N	234.383	4.573	0	10	BJAE	
CCCNC[C@H](CCC(CC)CC)C(C)(C)C	2300699060	DDGUXZRYBTZBMK-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
CC[C@H](NCC=C(C)CCCC(C)C)C(C)C	2300865689	QHDHIXCFRBINCH-INIZCTEOSA-N	239.447	4.783	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H](C)[C@@H](C)C(C)C	2301844813	SXJBVOPICMHSHR-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CCCC1CCC(N)([C@@H](C)[C@H](C)C(C)C)CC1	2301963873	GBTULOWMUAVKER-QVOMUQBLSA-N	239.447	4.602	0	10	BJAE	
N[C@H]1CCCC[C@H](CCCC2=CCCCC2)C1	2302358680	JFWSKXYMKTYFTQ-CVEARBPZSA-N	235.415	4.565	0	10	BJAE	
NC1(CCCCCCCCC2CC2)CCCC1	2302555712	DVQZKZNZWHVQER-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CCc1cscc1N[C@@H](C)c1cccc(C)c1	2302892884	PTXJAUIFVHXMTK-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC(C)=C(C)C1)c1ccsc1	2303456064	GUNBCQQMCDRSLD-HUUCEWRRSA-N	249.423	4.678	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303510322	ADPKOZHRRPOOOE-MELADBBJSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)CCCC(C)C)CC1	2303603811	WWUCIMSEYNOIFP-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](C)C(=O)c1ccccc1	2307801607	OEOIDZZQQBEKSE-ZIAGYGMSSA-N	232.367	4.722	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(C)(C)CC[C@H]1O	2307896774	XNAVFWYOGUPMQZ-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@@H]1C)c1ccccc1	2310434099	CDDAPCLJKFQCGJ-UAGQMJEPSA-N	245.410	4.554	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C[C@H]1C1CCCC1)C1CCCC1	2311611133	NCWBDEXCBSCREO-KCXAZCMYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@H]1CC)[C@@]1(C)CC=C(C)CC1	2312521414	VKERFXMGWPVLJN-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1CCC[C@H]1C	2315871023	OLWIGVJRKDUSDS-CZUORRHYSA-N	245.410	4.967	0	10	BJAE	
CC(=CCN[C@@H]1C[C@@H]2CC[C@H]1C2)CCCC(C)C	2316489601	IDKRNSKTLWLTSL-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@@H]2C[C@H]2C1)CCCC(C)C	2316491907	RAAMOOLEFOJSRY-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@@]1(N)C[C@@H]2CC[C@H]1C2)CCCC(C)C	2316533632	BJLAFKWUPRTIEU-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CCC[C@H]2C[C@@H]21	2316536979	PLGRTNNVGWMLJC-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1CC(=C2CCC2)C1	2316539738	NOOADDVAOLBZFT-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1CCC[C@H]2C[C@@H]21	2316880485	JYUYZXFNPBGECZ-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC2CCCCCC2)C1	2317006680	HQUYBHYHGSQVOZ-BBRMVZONSA-N	248.410	4.908	0	10	BJAE	
CC(C)[C@H](NCCCC1=CCCCC1)C1CCC1	2318581039	RUBCBVIZHMLCHO-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@@H]2CCC(C)(C)C2)C1	2319129257	PCKBTPKROBZSSL-AEGPPILISA-N	248.410	4.764	0	10	BJAE	
CCc1cccc(OC[C@@H]2CC[C@H]2C(C)(C)C)c1	2320253722	NIIVGHYXEZNPED-GOEBONIOSA-N	246.394	4.700	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2CC[C@H]2C(C)(C)C)c1	2320255298	VQSPSIRPSONPIC-LSDHHAIUSA-N	246.394	4.755	0	10	BJAE	
CC1=C(C)C[C@@H](CC[C@@H](N)CC2CCCC2)CC1	2320335791	CXMGNNFWVQNNJG-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1C[C@@H]1C	2320396789	JVSHGAKTBKSHFX-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)CCCC2CCC2)CC1	2320399610	XTZWWOXWWCRZBR-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)C1CC(C)C1	2320406312	MKCJJXCEIDLNGH-FPLFOGFYSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CNCC2(C)CC(C)(C)C2)CC1	2320423829	OMUXQAOICBDVNZ-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@H]2CCC2(C)C)c1	2320521806	TWKGRBQFSPOPFX-CVEARBPZSA-N	246.394	4.670	0	10	BJAE	
CC=CCCCC(=O)c1cccc(C2CCC2)c1	2320655698	RVWGBHLNLBDQKC-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cc(C)ccc1C(C)C	2327676519	YEHXBHBRLXKWER-YOEHRIQHSA-N	247.426	4.945	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@@H]2C2CC2)c1F	2327807368	GCQVIJUNYFFSKX-ZIAGYGMSSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)c1cc(C)cc(C)c1	2328194815	ZHBPKGPOUAHZBW-DOTOQJQBSA-N	248.410	4.727	0	10	BJAE	
CCCCc1ccc(-c2cccc(C=O)c2)cc1	2127659	XLRKOYCECSXNRN-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
CCc1ccc([C@H](C)Nc2cccc(F)c2)cc1	21058805	LHXQPCKVPAPRNO-LBPRGKRZSA-N	243.325	4.561	0	10	BJAE	
CCC[C@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1	21505437	LPFAJYYZGLVCFO-KBPBESRZSA-N	247.426	4.823	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1	21813461	FQCMMWOKZNONII-GDBMZVCRSA-N	245.410	4.930	0	10	BJAE	
Cc1cc([C@H](C)c2ccccc2)c(C)s1	22002770	HAKWRCGISWNTDX-LLVKDONJSA-N	216.349	4.517	0	10	BJAE	
CCCCc1ccc([C@H](NC)[C@@H](C)CCC)cc1	35492984	WANKMYHMTQIWKY-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1ccc(C)c(C)c1	36944792	BTEBORBDOHSQOD-CQSZACIVSA-N	232.367	4.703	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H](c1ccccc1)C(C)C	36967447	NYUASUUVDLIWAO-DOTOQJQBSA-N	247.426	4.798	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1ccc2sccc2c1	36975640	NDTDDGYYRNVNFV-QWRGUYRKSA-N	233.380	4.748	0	10	BJAE	
CCCCCN[C@@H](CCCC)c1ccccc1	37188836	AVRTUBBPBKNZMY-INIZCTEOSA-N	233.399	4.698	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccccc1[C@@H](C)O	49542725	WDEXFOVAMGDOFK-ZIAGYGMSSA-N	249.398	4.511	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)c2ccsc2)c(C)c1	50343683	AUEYUDSHGPTMLS-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CCc1ccc2nc(Cl)c(C(C)C)cc2c1	71136932	KCOSBLVSIXNSSA-UHFFFAOYSA-N	233.742	4.574	0	10	BJAE	
CC(C)(C)c1ccc(-c2ccnc(Cl)c2)cc1	84558189	KURDGLOIGPSJHQ-UHFFFAOYSA-N	245.753	4.700	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cs1	85528461	RQCPSUQCHSHJTB-JHJVBQTASA-N	235.396	4.519	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC2CCCCC2)CC1	86897506	AJWYCQBHGHHUQD-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H]2CC[C@H](CC)C2)cc1	88011126	WPFJFRWDBBTVBD-XJKSGUPXSA-N	244.378	4.648	0	10	BJAE	
CCCCC[C@H](C)NCC[C@H](C)c1ccccc1	104040789	IJJWFOICVAJMRM-HOTGVXAUSA-N	247.426	4.739	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)c1ccccc1	109724442	GGILBFRCAVQIDH-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
C[C@@H](NC1CC(C)(C)CC(C)(C)C1)C(C)(C)C	122514773	IBMUUGBWZWKYPZ-GFCCVEGCSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@H]1CCC[C@@H](CC)C1	148412325	PQDIOOQSVDZWBE-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)C[C@@H](C)CC(C)(C)C)c1	166795609	XMVOHJGTBOYGDJ-ZBFHGGJFSA-N	248.410	4.799	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](O)c1ccc(C)c(C)c1	225412109	BMCBAHSJSDBUGJ-XIRDDKMYSA-N	246.394	4.553	0	10	BJAE	
C1CCC(CCN[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	251076033	GKCACUJBXPMNFX-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCNCC1(C[C@@H](C)CC(C)C)CCCCC1	302297937	HAACHFVAUFYZLR-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C[C@H](O)CCC1CCCCC1)C(C)(C)C	306024771	YZUZLMJUPGLKEK-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CSc1ccc2c(S)csc2c1Cl	306617279	QZIHNRIQVCCEMD-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](NC)c1cc(C)ccc1C	308076191	NAWMRFKGEJSTEU-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CC1(C)CCC[C@@H](NCCC2(C)CCCC2)C1	310197885	BGILBUWXXAUJLS-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C1(C)CCCC1	310572070	ZLXMNOOCBYZIDH-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](N[C@@H](CC)c1ccc(C)cc1)C1CC1	310700490	FOEZNKIYOCAJHE-DLBZAZTESA-N	245.410	4.614	0	10	BJAE	
CC(C)c1ccc(CNC(C)(C)C(C)(C)C)cc1	310838256	NDHOWIAKLLAHPU-UHFFFAOYSA-N	247.426	4.724	0	10	BJAE	
Cc1ccc(F)cc1C(=O)C[C@@H]1CCC[C@H](C)C1	310963899	HBCCJPGTPPUVLF-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CCNC[C@@]1(CCCC(C)(C)C)CC[C@H](C)C1	317252809	LKFINZWIQAWCHX-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)c1ccc2c(c1)CC[C@H](C)N2	320277351	ZKSRGPOPUSMLOC-AVGNSLFASA-N	231.383	4.583	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C1CCCCC1)C1CCC1	322680236	JNZZGQVCIBLHFT-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCCC(C)(C)C1	383304930	UPXMXQFWUDWKOG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@@H](O)CCC2=CCCCC2)cc1C	386273871	MSLSVPHOXQAPKW-KRWDZBQOSA-N	244.378	4.617	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H](CC)C1CCCC1	387560423	XMBWFGJJZMQQOZ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CCC)[C@@H]1CC1(C)C	397699753	RAUFRVHCEZTTSQ-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)C[C@H](C)C1CCC1	398700268	SSSDBXMFLUZCGY-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@@H](C[C@H]2CC=CCC2)NC)CC1	402140136	ILFRXLZREHVSGZ-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccc3c(c2)CCCC3)C1	404644561	NGNFQTXJRQPMAJ-XJKSGUPXSA-N	243.394	4.556	0	10	BJAE	
CCN[C@@H](CCCC1CC1)c1c(C)cccc1C	405872704	SPZZUBKEJQIDTJ-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCC1CCC(N)(c2cccc(C(C)C)c2)CC1	688916948	SJESUQQQQHHGSA-UHFFFAOYSA-N	245.410	4.564	0	10	BJAE	
CCSc1cccc(NC2CCC(C)CC2)c1	689702350	PKPJCJOVSDZJLH-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CCCCCCNc1cccc(C2CC2)c1	690151687	XAZOJCPHNUDYJM-UHFFFAOYSA-N	217.356	4.556	0	10	BJAE	
C[C@H](CNc1cccc(C2CCC2)c1)C1CCC1	690171957	SLXHDQXELFTFSY-CYBMUJFWSA-N	243.394	4.802	0	10	BJAE	
C1=C[C@H](NCCCC2CCCCC2)CCCCC1	694010500	ULWFMPFERYPLEW-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CCC(C)(C)CC	696732448	ZNWWHVIPCGSTBF-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)C1CC(C)(C)C1	701469586	CANWTGZNGAFJEA-MRXNPFEDSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CC(CN[C@H]2CCCC23CCCCC3)C1	702002215	RMUHDGFNNNLRTK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(N)CCCC23CCCC3)C1	704445888	GJWSBPAEJZNYAG-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCC(N)(CCC)[C@H]1CCCC[C@H]1CC	704976897	JGDSIHDNYMWHHU-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
C1CCCC(CCN[C@@H]2CC[C@H]3CCC[C@H]32)CC1	707782196	ZQJKVWXFJGEGFO-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H](C)CC(C)(C)C	708246991	DGIZZCJKUDLFOP-UKRRQHHQSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@H](C)CC(C)(C)C	708297792	NLRFBBOIDMRZMB-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@]23CCCC[C@H]2C3)cc1F	709129310	MYOVBPVRALIGNO-DVOMOZLQSA-N	247.357	4.515	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@H](C)CC(C)C	709272631	LZHXDLGEPUEUNH-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@H](C)CC(C)C	709278819	ZXANEPNLWAMWAV-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@@H](C)C(C)(C)C	710753735	NPYVABOHLWLLTH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2C[C@@H]3CCCC[C@@H]32)c1	712501337	HGOZOFXMNUTAET-OBJOEFQTSA-N	249.785	4.639	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@H](C)c1ccccc1	713245335	AGLMRMJSDRYDKV-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
C=C/C=C\CCNc1cc(C)c(Cl)c(C)c1	713708471	FOKIZCIOUDEELP-WAYWQWQTSA-N	235.758	4.501	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@H]21	714315118	LTDUAJYNNALWHC-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H]1c2ccccc2[C@H](CC(C)C)[C@@H]1CC	714345595	YDNVBFHCBKOCOH-XKQJLSEDSA-N	245.410	4.507	0	10	BJAE	
CC/C=C/C[C@H](C)c1cccc(C)c1C	714521121	HJBHWFVIUWDZPA-YBJDMEARSA-N	202.341	4.763	0	10	BJAE	
CNC[C@H]1CCCCC[C@@H]1CCC(C)=C(C)C	718494433	MOENGFXGNGTIJW-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1CCCC12CC2	718612809	MUCDXOOWVRXAQE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1C[C@H]1CC)NCCC	723096805	UXTVNYBQDOAUCX-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C1CCCC1)C1CC1	723958938	FBPOVMMBKVKXPZ-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
Cc1cc(Cl)cc(CC2CCCCC2)c1	822256072	DEFRIFRHQBEKCA-UHFFFAOYSA-N	222.759	4.771	0	10	BJAE	
C[C@@H](CC(C)(C)C)NC[C@@H]1CCC=CCCC1	1665879650	FMHNXSPPBDUDBR-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)N(Cc1ccccc1)CC(C)(C)C	1880409294	LHUYKSGZSQFWBC-HNNXBMFYSA-N	247.426	4.723	0	10	BJAE	
CCCCNc1ccc(Cl)c(C)c1Cl	1888981172	SQCUSWUYUTWIAZ-UHFFFAOYSA-N	232.154	4.514	0	10	BJAE	
CCCCc1ccc(CC=C(C)CC)cc1	1900903020	KHPHTTFXYUWPLP-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
CCCN[C@@H](C1CCCC1)C1CC2(CCCC2)C1	1912613472	HAXHLZWAVULABE-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN[C@@H]2CCC3(CCCCC3)C2)CC1	1915867995	LDUKBMNAOHKHGV-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC(C)CCCCC[C@@H]1C(=O)C[C@H](C)C[C@H]1C	1916078934	JWQMQMLAIFNTFZ-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
C[C@H]1C[C@@H]([C@]2(N)CCC3(CCCC3)C2)CC[C@H]1C	1916438848	QORCDJWNBYWIFZ-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@](N)(CC)c1cccc2sccc12	1920150104	YZMXQQSRQJUVDQ-HNNXBMFYSA-N	247.407	4.656	0	10	BJAE	
CCC(CC)C[C@@H](O)[C@@H](c1ccccc1)C(C)C	1921318358	CCJDWYVXYABRMS-IAGOWNOFSA-N	248.410	4.613	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C1CCCCCCC1	1921420105	OFUCZMXLSXJKCS-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)NC[C@]1(C2CCC2)CCCC12CCC2	1921618165	ZKHBRYUKOZKFEV-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCC1(O)C[C@H]2CCC[C@@H](C2)C1	1923456813	YOWMBRTZDKRKPG-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)[C@H](C)C1CCCCC1	1924132233	XSVOOMFNKCPRDP-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C(=O)C[C@H]1C=CCCCC1)C(C)C	1925769898	VVXHIBJLAWHJGA-AWEZNQCLSA-N	236.399	4.620	0	10	BJAE	
Cc1ccccc1CC[C@H]1C=CCCCC1	1925814267	JMEQGRMQJFBTRB-HNNXBMFYSA-N	214.352	4.674	0	10	BJAE	
CC(=C(F)F)c1cccc(Cl)c1Cl	1927562816	LZGUXGOZTZHYCA-UHFFFAOYSA-N	223.049	4.621	0	10	BJAE	
CC(C)C(C(=O)CC1(C)CCCCC1)C(C)C	1940379542	OMERLMUENTZKPJ-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(SCC2(C)CCCCC2)ccc1N	1940411158	XGJNUDMXRXXVHL-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CC(C)C(C(=O)CCC[C@@H]1CC1(C)C)C(C)C	1940881106	KXLZFQVTVFJZCG-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
CC(=CC1(C)CCCCC1)c1ccc(N)cc1	1940972283	ZRTMZXUTTDTIQS-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
CC(C)(C)C1CCC([C@@](C)(O)C(C)(C)C)CC1	1941144390	MTKQNAGPWJQMCO-SEEARECTSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C1CCC([C@]2(C)CCC(=O)C2)CC1	1941160942	VHJRWCHUDZWIMI-SEEARECTSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CC1CCCC1)NCC	1941262509	FVRGWXOBSAWZPG-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@H](CC)C(C)C	1941271405	DGEJCBUINYZPHI-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](CNC(C)(C)C)C1CCC1	1942091172	PXCJGJHCMGGIID-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C(C)(C)C1CCCC1	1944635199	ORKAQFSGVXZGMO-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@H](N)C(C)(C)C1CCCCC1	1944665711	IQGWPGFZKFRQJE-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(O)ccc1-c1csc2ccccc12	1945616845	OPRNDBNVGIBKHX-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
C[C@H](Nc1ccccc1)c1ccc(Cl)cc1F	1946536560	HJLVEDPMOTYTIN-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)C[C@H](C)CC(C)(C)C	1948322300	XQENXPXPOCEKMA-YCPHGPKFSA-N	241.463	4.848	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)N[C@H](C)C1CCCCC1	1948324508	AKQNUDIMWRPEPU-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1C[C@H](C)C[C@@H](C)C1	1949015104	NVVRXJFYNRXWPS-UMVBOHGHSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CCC[C@@H]1CC1(C)C	1949052653	DGPUDUHODHHUJS-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)C1(N)CCC(C(C)(C)C)CC1	1949087522	BBKXXQHVIWUYRZ-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H]1CCC2(CC2)C1	1950244921	GHCAYSVVVKKZMW-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@@H]1C=CCCCC1	1950618375	HTOZCCPPQBKDQH-OAHLLOKOSA-N	237.431	4.536	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H]1CCCC(C)(C)CC1	1950917590	GJLJJZVRLWJLIA-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)NCc1ccc(CCC)cc1	1963228670	JYBTWLXTGNMVFC-QGZVFWFLSA-N	247.426	4.698	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCC[C@@H](C)C2)c(C)c1	1968255625	ZWYNHUNMSKDXLP-CJNGLKHVSA-N	245.410	4.932	0	10	BJAE	
Cc1ccc(F)cc1NCC[C@H]1CCC[C@@H](C)C1	1968312882	RTFJIRPHXZUJCB-TZMCWYRMSA-N	249.373	4.762	0	10	BJAE	
CCc1ccc(CN(C)CCC(C)(C)CC)cc1	1968373775	WWMFJCVXPRFNLI-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
Clc1cccc(-c2nc(C3CCC3)cs2)c1	1968396540	NBVOKJBTKSAZCT-UHFFFAOYSA-N	249.766	4.731	0	10	BJAE	
CCC(C)(C)N(C)Cc1csc2ccccc12	1970203826	HTOAVZLLQTXYTQ-UHFFFAOYSA-N	247.407	4.522	0	10	BJAE	
CCCCC1CC(N[C@@H]2CC[C@H]3CCC[C@H]3C2)C1	1970678279	GDXHOTFPVFWNPA-ILZRDFNYSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)CN[C@H]1C[C@H](C)CC(C)(C)C1	1973172901	UAQYMSHJCYUSJG-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCC1(NCC(CCC)CCC)CC1	1973255385	LTAXIEOAPHEBFT-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC/C=C/CNc1cccc2ccsc12	1975488737	NQISYARKECYHHE-SNAWJCMRSA-N	231.364	4.670	0	10	BJAE	
CCC(CC)C[C@@H]1CCCCCCC[C@@H]1N	1980351304	MXKLTPICTSRDJB-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CCc1cnc(C2(C)CCC(C)(C)CC2)s1	1983316144	JPGMCSKGNWOGJQ-UHFFFAOYSA-N	237.412	4.563	0	10	BJAE	
CCCCCC1CC(N)(C(C)(CC)CC)C1	1984743632	XJKHSBNKZQUCLN-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCCCC(=O)CC[C@H]1CC[C@H](CC)CC1	1989839423	PXORTNNHIBPBLW-HDJSIYSDSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@@](N)(CC)CCC(C)=C(C)C	1990093899	PPLQVXDGIUZKMM-HNNXBMFYSA-N	225.420	4.811	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(F)c(Cl)c1F	1993149506	HZJGXMTYNIQZEN-MRVPVSSYSA-N	247.716	4.609	0	10	BJAE	
CC(C)C[C@H](C(=O)CC[C@@H](C)C(F)F)C(C)C	1996094098	KHHHAYFHQWSAGW-NEPJUHHUSA-N	248.357	4.555	0	10	BJAE	
CCNCC(C)(C)CC[C@@H]1CCC=CCCC1	1999987962	LHSHVXPDMRLMMQ-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@H]1C[C@@H]1CC	2000504954	MNSMBJMHVTZUQR-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNC)C[C@@H]1C=CCCC1	2000505098	NULCLYQXMJPIJQ-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC[C@](C)(CCCCCC1CC1)CNCC	2000518483	ORYTUBXPJDCWDA-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@H]1CC12CCCC2	2001272479	TVVAOKPCHVWMAC-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CCCC2(C)CC2)C1	2002993569	LXCGOICKKNFSQI-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003004735	HJEBWKKNWXWANB-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)[C@H]1CCC[C@H](C)C1	2003016807	QQSPGYGWAMYIBR-BPUTZDHNSA-N	237.431	4.667	0	10	BJAE	
O[C@H]1CCCCCC[C@H]1CCC1CCCCC1	2003098707	HTHBLJFEQGKZNQ-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](CC1(O)CCCCCCCC1)C(C)(C)C	2003119127	IPXLNPVDAZWHNC-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
CC(C)(CC(=O)CC1(C)CCCC1)CC(F)F	2003180140	XJBGPAQGQMCINK-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)CC(=O)CC1CCC2(CC1)CC2	2003272666	JIRNQNOKGLIFML-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CCC(=O)c1cccs1)c1ccccc1	2003680362	MHOOPXXRPVGZQD-LBPRGKRZSA-N	244.359	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C1(C)CCCCCCC1	2004922646	JKWJQIIVFHTBCR-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CCCC23CCC3)c(C)s1	2005599582	ZCOKLVCGRSRUBW-CYBMUJFWSA-N	248.391	4.518	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC)C[C@@H](C(CC)CC)C1	2006623620	KTBVLYQJFCYTNF-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C=C2CCCC2)CC1	2007920127	IKANUNGZFWWQKV-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccc2sncc2c1	2008089418	NITXNPRRFOVIDK-LLVKDONJSA-N	248.395	4.533	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCC(C)(C)CC[C@H]1N	2009405078	UZWQTXCFKMNJNG-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H](CCC2CCCC2)[C@H](O)CC1	2009408467	UKVOOWWZAJHGPI-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C(C)(C)C1CC1	2009616931	NKXOPKHBFXNVPY-KEDPEKRHSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(O)([C@@H]2CCC[C@@H](CC)C2)C1	2009714261	NLXUYUXARBJKKU-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CC(=C2CCC2)C1	2011097201	IMXAUFQXULPBII-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCCCCC12CC2	2011272793	VHWSSZQFJRGLBX-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H]1C[C@@H](CC(C)(C)C)CC(C)(C)C1	2012041108	HZXXVZNCXBCKBN-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@](CN)(C[C@H](C)C1CCCCC1)C(C)C	2012434902	SIJWMQNIHJIBKB-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
CC[C@H](CCC(C)C)NC1CCCCCCC1	2013262762	DAEKXAXEUHQKNC-OAHLLOKOSA-N	239.447	4.904	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](NC2CCCCCCC2)C1	2013707774	OISUODBZKXRGJE-CTYIDZIISA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](O)C(C)(C)C1CCCCC1	2015280646	HKRVIOAPCFALNV-ZFWWWQNUSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H]1CCC[C@H]1CC1(CCC)CCC1	2015646081	WOXYAABOERPDNU-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCCC(C)=C1C	2016144082	IGQJMCORFQORGR-HOCLYGCPSA-N	235.415	4.600	0	10	BJAE	
CCN[C@@H](CC1(C(C)(C)C)CCC1)[C@@H](C)CC	2017138254	IBHQBORLOKKINF-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)CC(C)=C(C)C	2017462170	WGUPBFGWZPRAAR-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCC1CCC(C[C@](C)(O)CCC2CC2)CC1	2017649056	RQCVELIGXDQEBA-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](O)CC1CCC(CCC)CC1	2017650383	GIJCEDFNKQZHGH-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CCC[C@@](O)(C[C@H]2CC[C@H](C)CC2)C1	2017650423	GXPPHLMXZWHVBT-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)[C@H]1CC[C@H](CCC)CC1	2017654602	FQUANQXGQJMLSL-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(C[C@@]2(O)CCC(C)(C)C2)CC1	2017660116	ZLGLUTOFACKOTB-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@H]1CC[C@H](CC)CC1	2017702786	ZMUXIIDLBYFLGJ-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC[C@H](O)C2)CC1	2017713284	AGASYOQVPWLTMW-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CN(CC)[C@@H]1CCC[C@H](CC)C1	2019204096	UCBLNRAXUYTRGA-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCCN1CCC12CCCCC2	2019339698	DSGPSJYLPJTEGO-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H](C)CC(C)C	2020535371	GKZXOJXLJCZGPE-HNNXBMFYSA-N	239.447	4.856	0	10	BJAE	
CCCN[C@@H](C)CC1CC(C)(C)CC(C)(C)C1	2024092909	WCEAPMOMXVUKHC-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H]1[C@@H](NCCC)CCC[C@H]1C	2024517427	RMAMAEYMGCHWIE-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C1CCCCCC1	2026141080	FCBMEZFLMICNCM-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
Cc1cccc(C(=O)C2(C)C(C)(C)C2(C)C)c1C	2027151360	WAZYBXQZXMYCPQ-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C1CC2(CCC2)C1	2027723104	FLINEAQLYYASIJ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(C(=O)CC[C@H]2CC2(C)C)cc1C	2027813861	ZVQNWYIDEPOKAR-AWEZNQCLSA-N	244.378	4.621	0	10	BJAE	
CCCc1cccc([C@H](NC)[C@@H](CC)C(C)C)c1	2028260100	CBJMDPNWDNHANP-IRXDYDNUSA-N	247.426	4.582	0	10	BJAE	
N[C@@H](CCC1CCCC1)c1ccc(C2CC2)cc1	2028607911	HKXUZOIJXWTBQV-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCC1CCC=CCC1	2028906209	SIYFQLYSBWSLQQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
O=C1CCC(c2ccc(C3CCCC3)cc2)CC1	2031749557	JUKACTXOPIBXKG-UHFFFAOYSA-N	242.362	4.571	0	10	BJAE	
CC(C)(C)CC(=O)c1ccc(C2CCCC2)cc1	2031753219	XGQKCMRPXQXURO-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CN[C@H](CC1CCCC1)[C@]12CCCC[C@H]1CCC2	2031754369	JMAQDACPUMOYNE-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](N[C@]23CCCC[C@@H]2CCC3)C1	2031798474	MQTXJSVYJTUUDR-VYDXJSESSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc([C@@H](N)C(C)(C)C2CCCC2)c(C)c1	2032345804	HHHGPJKHEPRTSY-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
N[C@H](CC1CCCCCC1)CC1[C@@H]2CCCC[C@@H]12	2032833568	GQGAJOXAXDRFBU-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C[C@@H]2C[C@@H]3CCCC[C@H]3C2=O)CC1	2034265068	TZVQOFOESMOBQX-UIEKQHFFSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@@H]1C=CCCC1	2035600683	QAWDZUGKPVJYKI-CQSZACIVSA-N	243.394	4.752	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)CC1CC(C)(C)C1	2037147462	XVXPRVGHSVREQT-DYVFJYSZSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCCCN1[C@@H]1CCC2(CCCC2)C1	2037673952	AQAMBPLWUZFNBX-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C=C2CCC[C@H](CCN)C2)C1	2038876822	PHQYTYZFCABEDE-DLTWYDFYSA-N	249.442	4.524	0	10	BJAE	
CCc1ccc(NC[C@@H]2CC23CCCCC3)cc1	2039058481	MZYRLZNWYUCMBI-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)C12CCC(CC1)C2	2039861493	GAYHLSKLSIEOIY-JPLDOALUSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](NC)[C@]1(C)CC=CCC1	2042028150	UCQVHJLXKIQFQD-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
C[C@H](NCC1(C)CC=CC1)C1CCC(C)(C)CC1	2042080622	LWDYKHRJONGUKA-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NCC1(CCCC2CCC2)CC=CC1	2042086543	HGZACYNUIYMQSI-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](NC)c1ccccc1C1CC1	2042292342	HASOBFYMIJWSHM-GDZNZVCISA-N	245.410	4.507	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCCC(C)(C)C2)c(F)c1	2045460809	SXDABADIBAQGJA-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC1(C)CC(C2(N)CCC3(CCCCC3)CC2)C1	2045658822	WVEKFHBTFZICCG-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)CCNC1CCC2(CCCC2)CC1	2045660660	NPEHMGIAPBWZTR-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCC[C@](C)(CCC1=CCCCC1)CNC1CC1	2045993058	OJLYBQHSKAYGTC-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)C2CC3(CCCCC3)C2)C1	2046322957	RCYKWZLDSQUGLJ-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CC1CCC(N[C@@H]2C[C@H]3CCCCCC[C@H]32)CC1	2047437969	PQACRHMNHFNHEQ-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
CC(C)NC[C@@H]1C[C@]12CCCCC21CCCCC1	2047559481	HKBCJJGLWKPYIM-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)C[C@H]1[C@H]2CCCCC[C@H]21)C1CCC1	2048467814	WVSPVEZVMKWMQG-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](C1CCCCCCC1)C1[C@H]2CCCCC[C@H]12	2049200334	HLOXOSXPMUMOTD-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)C[C@H]1CCCC2(CC2)C1	2049851536	FJAYUZNICJNCGG-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@]1(CC2CCC3(CC2)CC3)CCCN1	2049853512	HFTXNFHWCZFEKW-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CCC2(CC1)CC2)C1(C)CC1	2049856610	ONVXKJGKFGLMQW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@@H](O)c2ccc(C)cc2)CC1	2050442236	UKKNWSCIDKSYNS-VMBOVVBDSA-N	246.394	4.635	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)C1(C2CCC2)CC1	2051907342	FPIKIJDKDJJGNA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN(CCCC1(C)CC1)[C@@H]1CCCCC12CCC2	2053434663	VJAGDHNCIURGDY-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@@H](C)c2ccccc2)C1	2055123239	HZDRJFMYSFNHLU-ILXRZTDVSA-N	244.378	4.576	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@H]2C=C(C)CCC2)CC1	2055552305	NTVZXQGJQCVRJW-RDHHWEPZSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)CC2CCCCC2)CCC1	2055554766	LPTXFLVJJWLEIZ-RHSMWYFYSA-N	249.442	4.824	0	10	BJAE	
Cc1cccc(C(=O)C2(C)CCC(C)CC2)c1C	2056535254	AAAPWFILGVHAML-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC1(C)CCC[C@](N)(C2CC(C3CCC3)C2)CC1	2057490269	DPRFSMIKMWTUHY-VMBOVVBDSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CC(NCC2(C3CCCC3)CC2)C1	2058827221	CPEDJIQJMGDUMI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C)CC1)C1(C)CC(C)(C)C1	2060922416	RLONRLJFLRQIHJ-HIFRSBDPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CC(C)(C)C1)C1=CC[C@@H](C)CC1	2060927494	YFRLTAQKAKXIPR-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)C1=CCC(C)(C)CC1	2061111916	AIZWLLMVEQJJNW-BPUTZDHNSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)C2CC(C(C)(C)C)C2)CC1	2061144761	TYJMYXMNVLGJSD-HOJRLLLISA-N	249.442	4.523	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CC1CC(=C2CCC2)C1	2061687901	JRRUHWFGSKLYNM-SJORKVTESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)CCCC12CCCCC2	2062645948	IYMZOJCWFMBSMC-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063481578	VMOOYEWADWZFQF-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063536415	RUYXOCHQIKGCQS-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](C2CC3(C2)CC(C)(C)C3)C1	2063817119	IOFBMYJSLZEDPZ-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)CC12CCC(CC1)CC2	2065333880	XVEYVOAOMZNSTI-PREGVCBESA-N	249.442	4.502	0	10	BJAE	
CC[C@](N)(CCC(C)C)c1ccc(C2CC2)cc1	2065992369	HVPSLHSVTHKXMQ-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC1([C@@](C)(N)CC2C[C@H]3CC[C@@H]3C2)CCCCC1	2068773504	WROZFWQGRNLTBC-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(CCN[C@@H](C)c1ccccc1)C(C)C	2068956586	UXMUMAOEJCNRTL-HNNXBMFYSA-N	247.426	4.656	0	10	BJAE	
CCCC1(C[C@](O)(CC)c2ccccc2)CCC1	2069339952	PIUOGKUKVCVJFW-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)c1cc(C)oc1C	2070406794	CFBPCUPITJZQGF-TZMCWYRMSA-N	249.398	4.682	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCCC[C@@H]1C1CC1	2070409085	RYZCHMASAUIAAB-UAGQMJEPSA-N	249.442	4.680	0	10	BJAE	
C[C@H](N[C@H](C)[C@@H]1CCCC(C)(C)C1)C1CC=CC1	2070811323	QLYVBOYTEUBWCJ-SQWLQELKSA-N	249.442	4.536	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H]2C2CCC2)cc1C	2071781611	CZYXRMCBGSZIEV-IAGOWNOFSA-N	243.394	4.548	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(CN)CC=CC[C@@H]2C)CC1	2072799131	PNGXPNGKOULPBA-LUKYLMHMSA-N	249.442	4.524	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@]3(C)C[C@@H]32)CC1	2072805680	DYSYVWQBMPKZSK-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@@]12CCCC[C@H]1C2	2074026493	UPLDTACZLVEWKP-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CC[C@@H]2CCNC3(CCCC3)C2)CC1	2074140324	ZVYQKBUIQJSYPQ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C[C@]2(C)C=CCCC2)C1	2074890763	CDJBFWJORARAIR-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CC(C)c1ccc(CN2CCCCC2(C)C)cc1	2074994359	SNMQMOWVUBBPJD-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CCCN(C[C@@H]1CC12CCCC2)C1CCCCC1	2076588648	XWPYRNZGXBKXPX-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCCC	2077198114	YABPXBJNOUPUQD-QSPRXWTASA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(CNc2ccccc2C2CC2)CCC1	2077264158	LEICXSGNAIEGFV-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2cccc(F)c2C)CC1	2077859537	HRPSRSDCXSVYRS-JOCQHMNTSA-N	248.341	4.533	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1C[C@@H]1C(C)(C)C	2079811831	GLFOXINUMKYWLL-ZFWWWQNUSA-N	246.394	4.871	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@H]1C1CCCCC1)C1CC1	2079841953	LRNRTVDPMYSXBF-HIFRSBDPSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@@]1([C@@H]2C=CCC2)CCCCC1(C)C	2081681850	HQRRNOLEFWXPGA-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@H](C(C)C)C2)ccc1C	2085240594	ZPMTYTQPEOICQO-DOTOQJQBSA-N	245.410	4.794	0	10	BJAE	
CC(C)Cc1ccc(-c2cc(=S)cc[nH]2)cc1	2213510871	GAFBLYWXWYDFGN-UHFFFAOYSA-N	243.375	4.610	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1ccc(C(C)C)cc1	2215315345	WYCDAULKBUZITR-ZFWWWQNUSA-N	231.383	4.658	0	10	BJAE	
C[C@H](N[C@H]1C[C@H](CC(C)(C)C)C1)c1ccccc1	2218040315	QZQDOMBCXFRFDN-DZKIICNBSA-N	245.410	4.552	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218337169	FKGGCCOEWLEDSP-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCCC1(NC[C@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218360168	ZEEGBKZTPQVZNJ-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H]1CC[C@H]1C)c1ccc(C(C)C)cc1	2220557277	GVXYNGWJAUEMMH-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1CC[C@@H]1CC(=O)c1ccccc1C1CCC1	2220717677	WZTVJFUXGBKSOC-GXTWGEPZSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)[C@]12CCCC[C@@H]1CCC2	2220878396	REDDJYVDLUSVLT-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)CCC2=CCCCC2)CC2(CCC2)C1	2221003667	DPSBFQSFRKVODG-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CC1(C)CC(C)(CC[C@@](C)(O)c2ccccc2)C1	2221016071	ZOWDPBVAYMGBHO-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CCC[C@@H](C3CC3)C2)C1	2221023917	WNUZRFAYESTLLS-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(N)CCCCC23CCC3)C1	2221040633	PGNSJSYYBDOUNY-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CCC[C@H]2CC2(C)C)CC1	2221615284	KRFCOLVQHRAMFL-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@]23CCCC[C@H]2C3)CC1	2221644794	VFKMLRHYPGTHKH-BHYGNILZSA-N	246.394	4.662	0	10	BJAE	
CC1=CC[C@@H](CNC2CCC(C(C)C)CC2)CC1	2221666804	JQULLBOFOCCQAW-KLAILNCOSA-N	249.442	4.537	0	10	BJAE	
CCC1(NC[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1	2222933166	KHZDXRPNHUGGJD-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1C[C@H]2CC[C@H]1CN2	2223133523	WXSMNIPFZNLRPM-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](C)[C@@H](O)CC(C)(C)C(C)C)cc1	2223954039	INWHSZYXEQDSNK-ZBFHGGJFSA-N	248.410	4.532	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2(C)CC(C)C2)CC1	2246519718	OQOYJWNPMXYULY-KNIAUWFNSA-N	237.431	4.501	0	10	BJAE	
CCC1([C@H](N)CC[C@H]2CCC[C@H](C)C2)CCC1	2246660175	NXUBABCGSUUBMC-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCC[C@@H](C)C2=O)C1	2246692493	KVUPDVAUIBIUNN-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C)[C@H](C)CC[C@H]1CCC[C@@H](C)C1	2246731116	WSVIBCTWHKJTSU-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC1CC2(CCCC2)C1	2246815301	PQDOOWJKOBAFGL-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](O)(c1cc2ccccc2s1)C(C)(C)C	2246853270	AJMZWUIQFWYITP-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
C[C@@H](CC(=O)CCCC[C@H]1C[C@H]1C)C(C)(C)C	2247175542	JRTHACUWJOMZSF-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](O)C1(C)CCCC1	2248857397	YQIMLLTXPREULH-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CNc1cccc(C(C)(C)C)c1	2249257541	GWHKYGZGCFVCBG-UHFFFAOYSA-N	231.383	4.752	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)[C@@H]1CCC2(CCCC2)C1	2250355393	AVRKSBLHJCOIID-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC1CCC2(CC1)CC2	2250356076	OTCHFQNQNZSNCJ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1C[C@H](C)C[C@@H]1O	2250479356	TXJUTRWJWGMOAC-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](NC)[C@@]12CCCC[C@@H]1CC2	2251106977	TWLIMLGLEGWVIO-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@]12CCCC[C@@H]1CC2	2251127355	UCCSJKDEUKMJGM-ZBFHGGJFSA-N	234.383	4.662	0	10	BJAE	
Cc1cc(C(=O)[C@]23CCCC[C@H]2CC3)c(C)s1	2251128093	PEVJZLUUVWKODC-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CC(C)=C(C)C[C@H]1C(=O)C(C)(C)CCC1(C)C	2251725380	VVMZOPYUWRFFSK-ZDUSSCGKSA-N	236.399	4.764	0	10	BJAE	
N[C@@]1(CC[C@H]2CCCCC23CC3)C=CCCCC1	2253860452	ZFWFLPKPXCJAHO-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CC[C@H]3CC[C@H]2C3)C1	2253937542	IZBBJCTYAAFITN-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C2CC3(CC(C)C3)C2)CC1	2254452879	GOZCDUNGWAZSJW-FGIFFFEVSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)cc(C(=O)CCCC[C@@H]2C[C@H]2C)c1	2254606231	FHELUHKBSWRADR-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@H]1CC2CCC1CC2	2254610925	PQKHBEZCKZIHMA-WNZFAQLISA-N	248.410	4.598	0	10	BJAE	
N[C@@]1(CC2=CCCCC2)CCCCC12CCCC2	2255091644	MKLHJAJEYWFLAL-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)[C@]1(C)CC=CCC1	2257300137	DCFYSNSYQKNNJH-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](Nc1cccc(C(C)(C)C)c1)C1CC1	2257907915	MWWPCUBWHHXXBM-INIZCTEOSA-N	245.410	4.975	0	10	BJAE	
CCCN[C@@H](C1=C[C@H]2CC[C@H]1C2)[C@H](CC)CCC	2259453571	KGRWICAAABWOSC-QSJFSLAZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@@]23CCCC[C@H]2CC3)C1	2260577676	HCWLZCIBURSCBW-GUYCJALGSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@@]12CCC[C@H]1CC2	2260615486	ZDJFIFZOJYIJKL-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H](O)CC1CCCCCC1	2298918768	YREVXPXCBSFLBH-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@]12CCC[C@@H]1CC2	2300506123	VDECWSWREZKAQC-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](N)C[C@@H]1CCCC12CC2	2300682189	WOEFYKYOQGGLGT-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C[C@H](C)C1CC1	2300878983	CTCNWJMNOABEMB-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@@](C)(N)C1CCC1)CCCC(C)C	2300902529	VLVSCNQHHZQGAT-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](CCC1=CCCCC1)NC	2301943876	ASSROQWVVHETSH-LZWOXQAQSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC[C@H](N)CCC1=CCCCC1	2301948153	FYIPXYQQNVSNFW-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@@H]3C[C@@H]32)c(Cl)c1	2302835916	IOGWYGLJBIFTLC-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1c(C)cccc1C	2307892534	FCLPUKUUZKSNMD-GJZGRUSLSA-N	233.399	4.520	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(N)CCCCCC12CC2	2307898739	MLEHJIPXUPJNPD-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)C[C@H](C)CC(C)(C)C1	2307907293	BSBCYHZVTFECMU-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2CC[C@@]3(C)C[C@@H]23)cc1	2310550796	UGWHSJNNUFLMSK-ZCPGHIKRSA-N	243.394	4.801	0	10	BJAE	
CC(C)CCC[C@](C)(N)c1ccccc1C1CC1	2315956447	NJAAZAPAKXKHFE-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CCCC[C@]1(CNC(C)C)C[C@H]2C=C[C@H]1CCC2	2316653758	OEGKMYWQQMWWJP-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
Nc1ccc2c(c1)CCC2=CC1CCCCCC1	2316887353	XGDLHMNVQLIHNW-UHFFFAOYSA-N	241.378	4.569	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1[C@]1(N)CCCCC12CCCCC2	2317086689	VAXLDSVTUIYGBG-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H]2CC(C)(C)[C@@H]2C)cc1	2318227537	UQPFUJPOMLKGTQ-WQVCFCJDSA-N	246.394	4.526	0	10	BJAE	
Cc1cc(NC2CCCCCCC2)cc(C)c1O	2318422367	JIZCWGPCNJAGOB-UHFFFAOYSA-N	247.382	4.534	0	10	BJAE	
CCCN[C@H](CCCC1=CCCCC1)[C@@H]1C[C@@H]1C	2318587658	BNHQHIOAYVBVLJ-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCc1cccc([C@H](O)CCCCC2CC2)c1	2318886483	WRXQDTPKQLKFKX-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C23CCC(CC2)C3)CC1	2320419251	HKKUJZKRKBRMIA-CKDBGZEDSA-N	246.394	4.662	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)c1cccc(C(C)C)c1	2320520877	LLVMNHRNCVWSJT-RHSMWYFYSA-N	247.426	4.882	0	10	BJAE	
CCC1([C@@H](N)C23CC(CC(C)C)(C2)C3)CCCC1	2321589122	IDDVMUIJIPDMIO-HPUBIQBYSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCC[C@H]2C)c1F	2327766417	DQPFKAGGIURPBW-OCCSQVGLSA-N	249.373	4.940	0	10	BJAE	
Cc1ccc([C@H](C)NC2CCCCCC2)cc1C	20002922	UXMAFSQTHSSXOB-HNNXBMFYSA-N	245.410	4.677	0	10	BJAE	
CCCCCC(CCC)(CCC)NCC	32209320	YJMYSODOCDZZKP-UHFFFAOYSA-N	213.409	4.515	0	10	BJAE	
CC1=Cc2sc(C)c(-c3ccccc3)c2C1	34444917	KEUCVFWXEBYDEZ-UHFFFAOYSA-N	226.344	4.683	0	10	BJAE	
CCCCC[C@H](NCCC)c1cc(C)ccc1C	35581584	AYFXHMUBLQVNBN-KRWDZBQOSA-N	247.426	4.924	0	10	BJAE	
CC(C)CC(=O)c1ccc(C2CCCCC2)cc1	36164953	FBLHTPDLJCDXQS-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
Cc1cc([C@H](C)N[C@@H](C)C2CCCCC2)c(C)o1	44729874	AQXSYEXSPSDBRM-STQMWFEESA-N	249.398	4.516	0	10	BJAE	
C[C@@H]1CCC[C@H](NC(C)(C)CC(C)(C)C)[C@@H]1C	85098028	LMMHGIKBXYEGLW-MCIONIFRSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC(C)(C)C1	87773231	MXESKFUKEWYSJU-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CC)C1CCC(C(C)(C)C)CC1	87988045	ACZRMBHVJLTJAZ-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(NCC2CCCCCC2)c1	89556999	IWFIQNICCUPTGO-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)CCC(C)C)cc1	90482288	FXKDVJJIPARRJK-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)c1ccccc1C	109725478	ALKIMHSGTSTYQK-PBHICJAKSA-N	247.426	4.862	0	10	BJAE	
CCN[C@@H](c1ccc(CC)c(CC)c1)[C@@H](C)CC	128018414	UIXPRBJXIBYBCC-SUMWQHHRSA-N	247.426	4.508	0	10	BJAE	
CCCCC[C@@H](NC)c1cc2cc(C)ccc2o1	128999065	UWUDNCYYYDSDPR-CQSZACIVSA-N	245.366	4.582	0	10	BJAE	
CCCC[C@H](NC)[C@H](c1ccccc1)[C@@H](C)CC	158347781	AIFPLIRRFJMCDY-XIRDDKMYSA-N	247.426	4.595	0	10	BJAE	
Cc1cccc([C@H](C)N[C@@H]2CCC[C@H](C)CC2)c1	160188325	SAOPVHSNMUCCQI-JLJPHGGASA-N	245.410	4.614	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@H]1NC1CCCCCC1	214411752	CIODKWCFYRYYBC-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc([C@@H](N)[C@@H]2CCCCC2(C)C)cc1C	226544732	JHZHGKKKBNJZGI-JKSUJKDBSA-N	245.410	4.520	0	10	BJAE	
CC[C@H]1CCC[C@H](CC[C@@H](N)c2ccccc2)C1	227161378	RYZLLURHAGYQLN-ZMSDIMECSA-N	245.410	4.683	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)C2(CC)CCCC2)C1	228765336	OSWRPBGNFRHDLN-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H]1CCC[C@@H](CC)C1	229201239	SGFHYFWCKFKXMG-ILXRZTDVSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC1CCCCC1	229228203	ZIDWWAWDXONSJC-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](C)/C(C)=C/c1ccc(C(C)C)cc1	231766688	SHMCNQNWWRFBIN-OKFGHLOFSA-N	245.410	4.601	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2cc(C)cc(F)c2)C1	235714277	VVFBHPJVRYNFRI-BXUZGUMPSA-N	247.357	4.538	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCCC[C@H]1C	250838589	WNFXJARVGVXYAS-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@H]1C[C@H](C)CC	250889314	WIVKKTNSUVEAPL-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1	251122114	FIISHHGUSOLZTQ-AEGPPILISA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCC(C)C)NCCC	300965440	RDTBUGVIWQJXHO-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)C[C@@H](C)CC(C)(C)C	302272397	DCVWQAAWEMHLMZ-ZNMIVQPWSA-N	242.447	4.882	0	10	BJAE	
CC(C)C[C@@H](CCCC(C)(C)C)CNC(C)C	302282112	JJVYFVRDNOYEMH-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](CNC(C)(C)C)C(C)C	302333058	LBVQERWDIYNKLF-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)c1cc(C)c(C)o1	302343001	JHFLUYAEUHTTBK-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@H]1CCCC1(C)C	302351508	WOQSWWIGXPHIQZ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
COc1ccc(N[C@@H](C)CCC(C)(C)C)c(C)c1	302484167	HWNRNTDXRNQZJM-ZDUSSCGKSA-N	249.398	4.630	0	10	BJAE	
Cc1cc(C)cc(C(=O)CCCC(C)(C)C)c1	304158122	VEHVOVZPKZVCQQ-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
Cc1cc(C)cc(-c2csc(C(C)C)n2)c1	304265772	BPRABTGZYAZVAT-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
Cc1cc(C)cc(CC(=O)CCCC(C)(C)C)c1	305902903	CRNHUCWYAWDSKI-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H](C)CC(C)C)CC1	305911462	FSYGKGDUKLRYOX-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCc1ccc2cc(Cl)sc2c1CC	306576404	KHSVIMWPOHBHQE-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CSc1csc2cc(Cl)c(Cl)cc12	306976859	DSEUYZGCVOQYIY-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C1(C)CCCCC1	310299273	TZYOQMQHJSDYJB-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC1(N)CCCCCC1)C1CCCCC1	310338847	NNBWKSDYNIDCQV-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(CN)CCCCCC2)C1	310465352	ZGQLABZJPYORHD-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
C[C@H](CC(=O)c1ccccc1F)C1CCCCC1	311134894	DPORKRHOSMVAOY-GFCCVEGCSA-N	248.341	4.615	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC12CCCC2)[C@@H]1C[C@@H]1C	322157225	JIWCQMDGFCHOJB-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC/C=C\c1ccccc1	324195981	VGLFCBFLMAVDNK-SAYIFAPPSA-N	246.394	4.667	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)c1csc(C)c1	381360085	HAPDQKAIJOTRKN-SMDDNHRTSA-N	239.428	4.533	0	10	BJAE	
CCC[C@](O)(CCCCCC(C)C)C1CC1	383167601	KITABBRLUBEFSP-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCCC[C@H]1CNc2ccccc2C1	383420199	ZQLUPHCAEMZAAQ-OAHLLOKOSA-N	245.410	4.877	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@H](C)c1ccccc1	384332526	UXNSJXJBIFMBPE-RHSMWYFYSA-N	248.410	4.758	0	10	BJAE	
CCCc1ccccc1[C@H](NCC)[C@H](C)CCC	384703582	ZVBGWHKQSATGHF-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cccc2ccccc12	385350977	PQIYBGDVLBMKNC-SUMWQHHRSA-N	242.362	4.700	0	10	BJAE	
C[C@H](CN[C@H]1C[C@@H](C)c2ccccc21)C(C)(C)C	385771065	VTKXZONHSKPMHK-IOASZLSFSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)c1ccc(C(C)(C)CC)cc1	387785402	ABYZOLGNLNIVEU-IUODEOHRSA-N	244.378	4.603	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C(C)(C)C(C)(C)C	393848370	SSDDABUIWSEDCE-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H]1CC[C@H]1CCCCCC(C)C	394811398	KQHNVVYMSUFAOJ-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](Nc1c(C)cc(C)cc1C)C1CCCC1	395683994	PGGSAZHSKOVCJH-MRXNPFEDSA-N	245.410	4.993	0	10	BJAE	
COc1csc2ccc(C(F)F)c(Cl)c12	396187138	UIYCJCJLHNKYIM-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1c(C)ccc2scc(C(F)(F)F)c12	396294087	BQXOGKITAXPESS-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCc1ccc(N[C@@H](CC)[C@H]2CC2(C)C)cc1C	397631890	OMKRKUJWBBWHDG-CVEARBPZSA-N	245.410	4.794	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCCC1(F)F	397968060	SCZVFHHCPWPEOX-QWHCGFSZSA-N	247.373	4.513	0	10	BJAE	
O=C(CCC1CCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	398797269	UYLMBADEPLPBFD-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H]1CCCC[C@@H]1C	400736139	QLDYOYLXLNBVPE-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1=CCCC1)NCC	401092760	WDJNONHBICKDDU-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)C1CCCCCC1	402147189	LCPOFSSUCWHLNW-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC1CC1)c1cc(C)cc(C)c1	405828796	DWQPTZRQYSJAGO-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@@H](c1cccc(C(C)C)c1)C1CCC1	688938896	MHXHGMFCDXUMGJ-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCc1cc(N[C@H](C)c2ccccc2)ccc1F	690100364	WPNCKPQWMKFMIB-GFCCVEGCSA-N	243.325	4.561	0	10	BJAE	
CC(C)c1ccc([C@]2(O)CCCCC[C@@H]2C)cc1	691039801	QKPMRKBMISHKEE-YOEHRIQHSA-N	246.394	4.598	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@@H]1CC12CCCC2	691105573	QTZNASKEWFWXLB-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H]2CCCC3(CC3)C2)C1	695716901	NDJDIAGHWJTFKD-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H]1CCCC2(CC2)C1	695959324	XMZXUAWTPGXMRZ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1csc(Cl)c1	696546058	NHXNLBOCAHDYNI-SNVBAGLBSA-N	245.819	4.618	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](N)CCC(C)(C)CC	696595128	UECYTYWMZRRDNN-HZPDHXFCSA-N	247.426	4.724	0	10	BJAE	
CCC(C)(C)CCC1(CNC)CCCCCC1	696799943	PMNDRRGTKWQPHF-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1CCC[C@@H](C)C1	697256583	BJBMKIJDAVIGEI-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](NCCC=C(C)C)c1cccs1	697778553	YEVNCDDZEHGVFU-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CC[C@H]2C[C@@H]2C1	697814137	DUWCHCQZYSDJAC-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCCc1cc2cccc(Cl)c2o1	697992137	MMOADRJOMLSSQN-UHFFFAOYSA-N	234.726	4.985	0	10	BJAE	
C[C@H]1C[C@@]1(CCCC(C)(C)C)CNC(C)(C)C	703350161	KRKCBCVXUIDWFB-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@H](C)CC(C)(C)C)cc1	704736504	PCKFIMZOMYQFIZ-CJNGLKHVSA-N	247.426	4.711	0	10	BJAE	
CCC[C@](N)(CCCc1ccccc1)C(C)(C)C	704824330	IFOBIBYNZBOVLQ-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](N)(CC)C2CCCC2)C1	704916450	XACLMINEIYGPMK-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@@H]1CCCC12CC2	707152137	XGEHGXXLWFKKMG-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@@H]2CCC[C@@H]21)C1CCCCCC1	707730948	GDOAEWRIJTZCMY-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(CC(=O)C23CCC(CC2)C3)CC1	711119916	JXJNJPMHAASLLS-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC1CC1)C[C@@H](CC)C(C)(C)C	711183736	GSGOCCYZVNFBEH-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](CNC(C)C)C[C@H](C)C(C)(C)C	711185165	UUVCSPVQAJDORB-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H]3CCCC[C@H]32)c(Cl)c1	712390412	PTKVOZSXZZBKRZ-YWPYICTPSA-N	249.785	4.639	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)c1cc(C)cs1	713225658	BGZIJMCSEGRGNS-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C1(C)CCCCC1	713272953	SICALVFCJWAJES-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)[C@@H]1C[C@H]1CC(C)C	713667933	IRPCVOJKMILIFV-BEKDMHARSA-N	249.442	4.559	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCCC1=CCCCC1	719260078	MJGRLOPOXOQWGV-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1CC(C)(C)C1)NCC	723566312	FKLADEZNYWYJAV-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CC[C@H]2CCCC[C@H]2C1	723604527	DYGJNYOAHZHBHE-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCC(F)(F)C1	1258755069	CNRJQCFFKWGXGZ-STQMWFEESA-N	247.373	4.513	0	10	BJAE	
CCCCC[C@@H](C)NCC1(C)CCC(C)CC1	1659085841	URNXWIKWEZEDMR-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)CCCC(C)C	1900703655	OPGOALKLCLOGRQ-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)CC(CC)CC	1908551574	GPXUWNPTKAUJKJ-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC1(CN)CCCCCCC1	1908570205	JAWVOZSDQPLHRO-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1COc1cccc2sccc12	1910797914	DTGDOIMTNUSCRF-AAEUAGOBSA-N	246.375	4.572	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C(C)(CC)CC	1912020683	KLMNGEFVOSTEHU-OAHLLOKOSA-N	237.431	4.703	0	10	BJAE	
CCCC[C@](N)(CC)c1cccc(C(C)C)c1	1920147420	OTKXRXRPZCMHPT-MRXNPFEDSA-N	233.399	4.564	0	10	BJAE	
CCCCC1(CNC(C)(C)C)CC(C(C)C)C1	1921196552	GXTHWFLRZUCMHT-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C(=O)CC2CCC(C)(C)CC2)C1	1921319469	IQKSZKRVNVCWIT-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@H](C)C1CCCCC1	1924086709	ORVCQZALAWOBJX-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C=C1[C@@H](CN)CCCC12CCC2	1924791122	LGCOMADLNXAZFQ-CQSZACIVSA-N	249.442	4.524	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@H]1CCCC12CCC2	1925760512	LEISXOGYKDDSEN-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CCC[C@@H](C(=O)CCCC1(C)CC1)C(C)C	1936205220	AJFNAENDDGGDFY-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC1(c2ccc(-c3nc(Cl)cs3)cc2)CC1	1936406724	XKQKPNKBQLRWEP-UHFFFAOYSA-N	249.766	4.515	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)CC1(C)CCC1	1940797335	KEXUPTJLGXPCTO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC1(C)CCCCC1)c1ccc(N)cc1	1940974565	VWJHTFYGBQUSLO-CYBMUJFWSA-N	231.383	4.733	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(O)CCCCCC1CC1	1941577180	XSLOGZCJKWMONX-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
O=C(CCC1CCCC1)CC1CCC=CCC1	1941791918	SMABVPBQPRNPKW-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCCCC[C@H](C)NCC1(C2CCCC2)CC1	1942575658	QPNOVMHCXBDHGA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H](C)CCC(C)C)C1	1942651932	BRZVXEIDLZTCAG-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC2(N)CCCCCC2)C1	1944176213	RJHQZKYTMNRDDD-FICVDOATSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)CC)CCCC1(C)C	1944486041	MYHKITLDGTXLDL-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](CC)C[C@@H](C)CC	1947448452	HOXMIZSDSAIKSW-JJXSEGSLSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cc(C)ccc1F	1947466289	SUDIGAUVKWQGJP-JSGCOSHPSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)C(C)(C)CC	1947583222	XVKCVXDOLPQOTM-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC(C(=O)c2cc3ccccc3s2)C1	1948270265	BKVSIYHVWAVVMO-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)NCC1CCCCCC1	1948326417	JEZZXNMDUVVPTK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(O)C=CCCC1(C)C	1949682120	XPJSFHDAQXBWHB-CZUORRHYSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)[C@@H](C)NC[C@H]1CCCC(C)(C)C1	1963157849	YWZAAXDTEVKKQT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCC[C@@H](C3CC3)C2)C1	1963183043	PRJREPTWNCCATL-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)CN1CCCCC12CCC2	1966232897	BRBMOLWYWDJRIT-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CC[C@H]3C[C@H]3CC2)CC1	1967834266	JJOJDCFCMBGVAL-ZIJBQXMVSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(N[C@@H](C)C2CC3(CCC3)C2)c1F	1969467008	FQDNKWKNCTWAGM-LBPRGKRZSA-N	247.357	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](NC2CC3(CCCCC3)C2)C1	1972429893	JGRRMFCGALCOSY-FICVDOATSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@@H]1CCCCCCC[C@@H]1O	1980352945	WSLYTVYQEZGYAM-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@H](O)CC(C(C)C)C(C)C	1988232994	HBRUJPJNQNUSLP-AWEZNQCLSA-N	228.420	4.636	0	10	BJAE	
CCCCN(CCC(C)(C)CC)[C@@H](C)CC	1990873046	KZKBOGYIZPXEMO-AWEZNQCLSA-N	227.436	4.713	0	10	BJAE	
CC[C@H]1CC[C@@H](c2nc(C3CCC3)cs2)C1	1995468620	ZPSSSTLMJWNIAV-CMPLNLGQSA-N	235.396	4.704	0	10	BJAE	
CC(C)Sc1ccccc1N[C@H]1C=CCCC1	1996563504	GAQVWOYDNWBLGF-ZDUSSCGKSA-N	247.407	4.708	0	10	BJAE	
CCC(CC)[C@](N)(CC)C1CCC(C)(C)CC1	1996595882	ZCWLEFMAZKFVJI-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
Cc1cscc1[C@H](N)C[C@@H]1CCC=CCCC1	1999988622	RXEVITXVYTVPHX-UKRRQHHQSA-N	249.423	4.583	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)[C@@H]1CCCC(C)(C)C1	2000052912	YYEIRQJGCWOWRZ-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CCNC(C)(C)C)[C@H]1CCCC(C)(C)C1	2000161993	JIELYCYDCPJWOH-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNCC)[C@@H]1CCCC[C@@H]1CC	2000511720	GTNKBLWYJBSNKQ-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CNC1CC2(CCCCCC2)C1	2000673516	WQECQOZVFJGHOS-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)N(C)C[C@@H]1CCC=CCCC1	2000894262	FIPQCIIHFYEQQI-HZPDHXFCSA-N	237.431	4.633	0	10	BJAE	
CN[C@H](CC1(C)CCC1)C1(C)CCCCCC1	2001146555	KVKGIIZZNPDEGU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1cccc(NCC2(F)CCCC2)c1	2001387575	GEWNCQZOQPIBTQ-UHFFFAOYSA-N	235.346	4.504	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C[C@@H]1CCC12CCC2	2001859832	NGMPYAHIECNJJY-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCCC(=O)CC[C@]1(C)CCCCC1(F)F	2002581819	YJUHEENRICSKMM-ZDUSSCGKSA-N	246.341	4.742	0	10	BJAE	
CCC1(C[C@H](O)[C@H]2CCCC(C)(C)C2)CCC1	2002972387	SWBHWWNWVGBPKI-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@@](C)(N)[C@H]2CCC[C@H](C)C2)CCC1	2003017389	RVNFOFGXYWHVDI-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCC[C@H]2F)cc1	2006677525	NTFDUILMEPPPAG-HUUCEWRRSA-N	235.346	4.503	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@H]1CCCCCCCCC1=O	2006729518	HYPYBQDDPGIZHP-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H]1CC[C@H](CCC(C)(C)CC)[C@H]1CC	2009248836	LKKLBYORKPMHHO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCC(C)(C)CC[C@H]1O	2009420890	RPYNVGDGHVFIRV-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CC=CCCCC(=O)c1ccc(C(F)F)cc1	2009569112	LDJSAYHJLYKUDL-UHFFFAOYSA-N	238.277	4.553	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@H]1CC1(C)C)NCCC	2009626324	DSXWWBURXRCXCV-ZWXLGZMVSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H]1CCC(C)(C)C[C@@H]1NCC	2009626548	FLGQLKKKWNGGON-CJKAQPIMSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H](C)CC(C)C	2009635927	SAIGULKYIGKXQY-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H]1NCCC12CCC(CCC)CC2	2009770797	KNPFTEHLQQQKHQ-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CCCC1CC(N(C)C[C@H](C)CC(C)(C)C)C1	2009777977	SVNZMHZQGNMLBI-WLYUNCDWSA-N	239.447	4.569	0	10	BJAE	
CC[C@H]1CC=C([C@](C)(N)CCC(C)(C)C)CC1	2010730162	VMRTVJPAZIJJBY-XJKSGUPXSA-N	237.431	4.667	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CCC(C)(C)C1CC1	2013313095	YPDVEZCFSCONQG-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](CC)CNC1(CC2CC2)CCC1	2015753213	OSAPSKCJUSIFAN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H]1C=CCCCC1	2016114670	JMLVAECORIAGDF-CVEARBPZSA-N	235.415	4.587	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)CCC=C(C)C	2016143381	FDIWEYLHWUPBNV-XHSDSOJGSA-N	237.431	4.680	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)C1(C(C)(C)C)CCC1	2017130624	FJMJRFVGTOQSOZ-CYBMUJFWSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)C[C@@H](C)C1CCCCC1	2017246355	RQEOFWABMGTLAK-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CC(O)(C(C)C)C(C)C)CC1	2017653987	ZZOGVKBIHVRDAU-SHTZXODSSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC[C@H](O)C2)CC1	2017722868	AGASYOQVPWLTMW-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CC[C@@H](N)CC(C)C)CC1	2017732159	YTDKCZCQERIDGJ-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1CCC[C@H](CC)C1	2018130899	QVPGNNRGGLVQEU-ARFHVFGLSA-N	239.447	4.891	0	10	BJAE	
CCC1(C[C@H](O)[C@@H]2CCCC(C)(C)CC2)CC1	2018967387	KPUPNMITMIOJQC-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCCN([C@H]1CCCC[C@H]1CC)[C@H](C)CC	2019198869	JJLFHELSCFJLJH-OAGGEKHMSA-N	239.447	4.856	0	10	BJAE	
CCN[C@@H]1[C@@H](C(C)(CC)CC)CCCC1(C)C	2020363110	GPOOUEJHCYPHJF-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)[C@H](O)C1CCC(CCCC)CC1	2020967882	KFDNMOVCDSXERH-BCLQGDPASA-N	238.415	4.700	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1CCC[C@@H](CC)CC1	2020969599	PYLXJMVAFURSNP-BMFZPTHFSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H](C)CC(C)(C)C	2020972672	WYWSASUBMYYGRR-HIFRSBDPSA-N	239.447	4.783	0	10	BJAE	
CSCCCCNc1ccccc1C1CCC1	2021027222	SQHAOWAOHZURQJ-UHFFFAOYSA-N	249.423	4.509	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CCC(=O)CC1CCCCC1	2022554581	PMPOKYGTUGLJQL-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CC(F)(F)CCCC[C@@H](O)CCC1CCCC1	2023306016	FVBRDNDSBKXVQI-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCC(CC)(CC)C(=O)CCCCC(C)(F)F	2023346452	SOOPAGFBDWSTFI-UHFFFAOYSA-N	248.357	4.988	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@H]1CC(CC)CC	2023612082	MDJQTQWRBXOGKI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(=O)[C@H](C[C@H]2CCC=CCCC2)C1	2023625838	YBFRVYPNPYRIQL-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCC[C@@H](O)C2)C1	2024115824	FXMACYLOQRZKCK-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@H](N(C)C[C@H](C)CC(C)(C)C)C1	2025600215	KYPXABGURSMOQM-KFWWJZLASA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CC1CC1)NCCC	2026072818	FSIBHVGUCOBWIQ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@H]1CCC12CCCCC2	2027839877	MDIHXLUEXFYQIV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@](F)(C1=CCCCCCC1)c1ccc(N)cc1	2027935529	HREAWKBMTYSQNJ-INIZCTEOSA-N	247.357	4.734	0	10	BJAE	
N[C@@H](c1cccc(C2CC2)c1)C1CCCCCC1	2028550228	UQQZUYNVCCIKAR-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CC1(CC(=O)c2ccc(C3CC3)cc2)CCCC1	2029078295	NHRQWMLGSKZWRS-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H]1CC(C)(C)CC2(CC2)C1	2030289297	XDKDSYVTVOHSLU-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)[C@H]1CC12CCC2	2032131909	MNDQCORVTGOFDS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2(C3CCCC3)CCC2)C1	2033049250	VTLNMIHKIDOKTI-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)C1CC(C)(CC)C1	2036475969	OYXYTJPFLBCQMV-ORBLRFAASA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](N)(C2=CCCCCC2)C1	2037100882	KFHAPUPDCXFPPM-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)[C@@H]1CCC2(CCCC2)C1	2037680142	WUOPQRLMKYZHCG-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@@H]1CC12CCCCC2	2039084810	JDPSMPKHHFBUCL-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2[C@H]3CCCC[C@H]32)CCCCC1	2039873443	WJLYIGLKKUHNEC-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1=CCCCC1)NCCC[C@@H]1CC1(C)C	2043193028	FQAJKMJYWNEEGD-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC([C@H](N)C[C@@H]2CCC=CCCC2)C1	2045330345	VKBCBMYTHHSRKC-RDHHWEPZSA-N	249.442	4.667	0	10	BJAE	
CN([C@H]1CCCC(C)(C)C1)[C@H]1CCC2(CCC2)C1	2045521084	SKXPNNYJTXTEDH-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CCc1cccc(C(=O)C2(C)CCCCCC2)c1	2045609477	DWRZQKRBMLUGKQ-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)c1cc(C)c(C)cc1C	2045747619	ICUVZPIOYKVLEY-YVEFUNNKSA-N	247.426	4.699	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H]2C[C@H]3C[C@H]3C2)CC1	2045851998	YPVQKPHSBCFIFB-PXEOUSFJSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC[C@H]1CC12CCCC2)CC1CCCC1	2047009613	FCVZGTZROMPONP-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2CC23CCCCC3)CC=CCC1	2047063950	AKPXEOVPIOFUGK-GDBMZVCRSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047405939	HMZVRFHRJFLMOK-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1C(=O)C1CC(C(C)(C)C)C1	2048618119	BICLEUJITLEGAT-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
C1CCCCC(NCC[C@H]2C[C@H]2C2CC2)CCC1	2049681851	QAEIDGIEMOMIHZ-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2c(ccn2C[C@@H]2CCC3(CC3)C2)c1	2049955394	ULBACSKZILGNNI-CQSZACIVSA-N	239.362	4.530	0	10	BJAE	
CC1(C)CCCC[C@H]1CNC[C@@]1(C)CC=CCC1	2053386821	QHLVQGMYHYHKJT-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1(C[C@@]2(CN)CCCCC23CCC3)CCCC1	2053419066	CJVPLYGESBAUNN-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)CCC1	2055543105	XSXQMPOUJLPWHN-IHWGESPNSA-N	249.442	4.536	0	10	BJAE	
CC1=C(C)[C@@](O)([C@@H]2CCC3(CCCC3)C2)CCC1	2055593452	BEFWDYYVYOUTKW-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C[C@@H]2C[C@H](C)c3ccccc3N2)C1	2056642650	LFEVSOKWOFJEQW-PPWQZUPISA-N	243.394	4.801	0	10	BJAE	
CCN[C@H](CCCC1CC1)C1(C2CC2)CCCC1	2057609634	RJMUBNXXUFDAHD-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CC[C@]23CCC[C@@H]2C3)C1	2061606240	KIJPDOFGBOXNLR-ANQUJSFKSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)CC1CC(=C2CCC2)C1	2061736881	LOGMGTGCYSKHMM-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCCN[C@H](C)c1cc(C)c(C)cc1C	2062372341	QMGLAHSGJLEFNP-FYCOFBDGSA-N	245.410	4.619	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](CC2C[C@@H]3CCC[C@H]3C2)C1	2063427457	NGVXCRCXPZHGOG-SDADXPQNSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc(OCC2C[C@@H]3CCC[C@H]3C2)c1	2063531090	IQMXMBBSEYVWEV-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
CCCc1ccccc1[C@](N)(CC)CCC(C)C	2065993330	RRWIZZNAUBBSFH-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2CCCC3(CC3)C2)CCCC1	2067531252	YFYJNNDGVQUDLQ-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)[C@@H]1CCC1(C)C	2068246178	SONCGQQGCLWUAQ-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C[C@@]1(N)C=CCC2(CCC2)C1)C(C)C	2069019145	NAPBOCCLBPZZCC-KRWDZBQOSA-N	249.442	4.523	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCC1CC2(CCC2)C1	2070397233	GWENKAZSRRSNJD-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CC1CC(=C2CCC2)C1	2070412290	AYIAYOSJCUGUBI-QGZVFWFLSA-N	248.410	4.764	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(=O)c1ccccc1C1CCC1	2070927075	QPYGPYVINHJMQL-YVEFUNNKSA-N	242.362	4.573	0	10	BJAE	
CC(C)(CCF)C(=O)c1ccc(C2CCC2)cc1	2071371426	BUPGYDTZTKDWPX-UHFFFAOYSA-N	248.341	4.523	0	10	BJAE	
CC1(C)CCC=C[C@H]1NCC1(C(C)(C)C)CCC1	2071942174	BBUZZWVVWYZZLB-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@H](CC1CC2(C1)CC21CC1)NC	2072238435	GZIYRBMUOUMVMY-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@]2(C)C=CCCC2)CC1	2072792540	BCNINGGAGFERHV-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC[C@H]1CC[C@H](C)CC1	2072804688	VHBZHQZTWLOWBV-ZOBUZTSGSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](CC2=CCCCC2)NCC)CC1	2074646841	QJFDMIMRCXBJBY-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCC1(C[C@H](NC)c2ccc(C)cc2C)CC1	2074653940	SVNGLITVKNHWBQ-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1Nc1ccccc1C1CC1	2077264330	PKVSCOLMLLBOFD-IIYDPXPESA-N	243.394	4.801	0	10	BJAE	
CC=CCCC[C@@H](N)[C@H]1C[C@H]1C1CCCCCC1	2079792447	ALEACHQSXAAHTB-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
CC(=CC1CC(C(C)(C)C)C1)[C@H]1CC[C@H](N)CC1	2082138517	CHIAMPXMFOEAJZ-DHAXNPMCSA-N	249.442	4.523	0	10	BJAE	
CNCC1(CCCCCCC2CC2)CCCC1	2213573917	MVFRRNJJLUYZEN-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@](C)(CN)CCCCCCC1CC1	2213574442	UEQOWZOYYARAAN-INIZCTEOSA-N	239.447	4.892	0	10	BJAE	
O[C@H]1CCCCC[C@@H]1CCCCCCC1CC1	2213575187	CLRAPMGYHRRROM-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CCCCC1CC1)CCCC(C)C	2214585669	UXHPNBFUPYVAPP-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@H]1CC[C@H]1C	2214953084	XZVHBSGBKUYUQE-CHWSQXEVSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@H]1CC[C@H]1C	2215097554	HQCRTKSGEQZJAJ-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCOc1ccc(C(C)C)cc1	2215346254	OYWJMUKZOXOROS-HIFRSBDPSA-N	232.367	4.625	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CCCC(F)F)NC	2216408202	NVQHJZOLKIXIRD-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(N)CCC[C@@H](C3CC3)C2)C1	2221023918	WNUZRFAYESTLLS-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@H]2C[C@H]2C2CCCC2)C1	2221090677	OGMGYDJVJJABNN-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@]1(CNC2CC2)CC=C(C)CC1	2221654797	PLIQQLBSTNOEKG-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC(C)CCC(=O)CCCCC[C@@H]1C[C@@H]1C	2243902803	OGQNTJYEOQXWPQ-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CCCCCC(C)C	2244796093	LEDGYXXRVIBXCO-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCCC[C@@H]2C[C@H]2C)C1	2247159784	PKGSPXUNXXXALF-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](O)CC1(C)CCCC1	2247172539	ATQAXMPDOZMBHA-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H]1Cn1ccc2ccc(Cl)cc21	2247396999	FRSLQWLFTYMZDW-LBPRGKRZSA-N	247.769	4.731	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNCCCC(C)(C)C	2248865382	ITKHIZFUGOFGEJ-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC(C)(C)C(F)(F)CC	2250386061	UBWACIYXDBSKIX-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCN[C@@H](C)C1	2250472295	BFKGVRWBDZMGHL-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC1CC(CCC(=O)CCCC[C@@H]2C[C@H]2C)C1	2251760473	DDECZYKDTLWFBE-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CC1CC(CC[C@@H](O)CCCCCC2CC2)C1	2251764555	DNPKSLGNYVKUQM-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@H]2CCCCC23CC3)CC1	2253822718	SUPGWISUJRHTPQ-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
O=C(CC[C@H]1CCCCC12CC2)[C@H]1C=CCCC1	2253856459	QTFBLKWZHYXPAQ-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@]2(C)CC=CCC2)C1	2253936762	FUTLYKDJICMMRC-HLLBOEOZSA-N	248.410	4.908	0	10	BJAE	
CCC1CCC(CC2(N)CC3(CC(C)C3)C2)CC1	2254149199	PKUUVOYNGPQLKO-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)c1ccccc1F	2254535964	POYILNONERPKKQ-STQMWFEESA-N	248.341	4.615	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(N)CCC12CCCCC2	2254593141	HPODMYDEPPTUMC-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)CC[C@H]2CCCC[C@H]2C1	2255020501	ZQDOYZJOEIVUGM-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@@H](N)CC2=CCCCC2)CC1	2255049112	GVNDICAMLWEWAH-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
CCCNC[C@]1(CC2=CCCCC2)CC[C@H](C)C1	2255103413	UMGCYRRNHGDOTE-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
C[C@H](CC1CCCC1)NCC[C@H]1CCCC12CC2	2255229159	VZTJPHLEJXBDFC-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC[C@@H]1CCCC12CC2	2255229166	WBLJHZZADDSGOJ-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc([C@H](N)CCCC2CCC2)cc1	2256294586	SYOFEJUBXVTEDO-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CC1=CC[C@](C)(NCCCCC[C@H]2C[C@H]2C)CC1	2257313962	XKLCPRYVVZGURS-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
Fc1ccc(C2CC2)cc1NC1CCC=CCC1	2259131188	GKTBPDDAXKHAEW-UHFFFAOYSA-N	245.341	4.614	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)c1ccccc1C1CC1	2259439193	TZMXDTXBXZLQAD-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CC1CC2(C1)CC(C[C@](C)(N)C1(C)CCCC1)C2	2259578866	XHXIKCWARALUIX-XRFBTWBJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)[C@@]23CCCC[C@H]2CC3)C1	2260507774	MRTQEQUDTSVGLT-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CN(C[C@]12CCC[C@@H]1CC2)C1CCCCCCC1	2260563535	ACXSZYKOBWONNO-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@]12CCC[C@@H]1CC2	2260602643	KTRGZCQVYCXYGL-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@H](O)c1cccc(C2CCCC2)c1	2260663804	SUCZARFYKUNPOH-KRWDZBQOSA-N	246.394	4.958	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H]([C@H]2C=CCCCC2)C1=O	2261451911	WMJGGWCQHLSSSZ-KBPBESRZSA-N	248.410	4.764	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H]1C[C@@H]2CC[C@H]1C2	2298416451	PPVURHUPEXQAFY-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CC(=CC[C@H]1CCCCNC1)CCCC(C)C	2300867446	MFLWFTHYGQRDSK-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CCC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2301065620	GSATXNXITJKVIG-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(N[C@H](C)[C@H](C)C(C)C)CC1	2301712152	XTSPOCXITFIXKO-WXLSXGNJSA-N	239.447	4.616	0	10	BJAE	
CCC1(CC)CC(N(C)[C@@H](C)[C@@H](C)C(C)C)C1	2301978414	OHKQCGZQXAKDBS-KBPBESRZSA-N	239.447	4.568	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)CCCC1CC1	2302356502	NZVDGCVAZCWFIE-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCCC[C@@H]2C[C@@H]21	2302830015	HHYPPIBRRJXWCD-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCNCCC=C(C)C[C@@H]1CCC(C)(C)C1	2302895916	MSEIEVDDSZICTC-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC)CCC(C)=C(C)C1	2303472680	TYIUWHMZJPQJTK-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@](N)(CC[C@@H]1C[C@H]1CC)C1CCCC1	2303569730	XQVXUKDVQGESMP-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C[C@H]1CCC[C@@H]2C[C@H]12	2309961019	CTNRAFRWTQPUIR-IXYNUQLISA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C[C@@H]1C[C@H]1C1CC1	2313030245	HJYUXNUQVHWGAC-FAYQHZLMSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](NC(CC1CC1)CC1CC1)C1CCC1	2313584338	PGICMIDHEQAUQM-QGZVFWFLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316875386	VZAFGRWDHJACQC-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2C[C@H]3CCC[C@H]2CC3)C=CCC1	2316883007	FIXHATLVYMZWQL-LJIGWXMPSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cc(F)ccc1C(C)C	2317914731	FVGTUHTUIQYZRC-IUODEOHRSA-N	249.373	4.940	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCC[C@@H]2C[C@@H]21	2319253185	SNCNTKQRZNIWCN-OWCLPIDISA-N	243.394	4.548	0	10	BJAE	
CC1(CCN[C@H]2CCCC[C@@H]3C[C@H]23)CCCCC1	2319449463	CWTKVJLPCYFOBG-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@H](CNC2CCCCCCC2)CC1	2320269263	YTAKLXPYCCQDEY-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@@H](C[C@H]2CCC(C)=C(C)C2)C1	2320333383	GHHUKLNFMJUKNF-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C[C@@H]2CCC(C)=C(C)C2)C1	2320335891	XRYPDFMXFLUHGR-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](COc2c(C)cccc2C)CC1	2320387815	KJTBMRNWYUTRKR-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@@H]2C2CCC2)CC1	2320415670	CLKJHTBUHLVZPG-FVQBIDKESA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@H](CNc2c(C)cccc2F)CC1	2320420200	NJAQLXGLWMEQNO-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CC(C)=CCC[C@H](N)c1cccc(C2CCC2)c1	2320658014	BHJSOAUWODCAQI-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CCCCCN(C)Cc1cccc(C2CCC2)c1	2320670514	VCFROHQOEQBZGF-UHFFFAOYSA-N	245.410	4.576	0	10	BJAE	
Cc1ccc(C(C)C)c(C2(N)CCCCCC2)c1	2327675715	OYPMRQNVXYQPOM-UHFFFAOYSA-N	245.410	4.627	0	10	BJAE	
CCCCCCc1ccc(CNCC(C)C)cc1	2327896220	MVBBCAUKBQCJDS-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
CC(C)Cc1ccc([C@H](C)N[C@@H](C)C(C)C)cc1	20523025	WYNLUZFFWVAPJR-GJZGRUSLSA-N	247.426	4.580	0	10	BJAE	
Cc1ccc(C)c(/C=C\c2nc3ccccc3o2)c1	33477189	JHCPXFOOPCEIPX-KTKRTIGZSA-N	249.313	4.615	0	10	BJAE	
CCCc1ccc([C@@H](CC(C)(C)C)NCC)cc1	35550494	CBZYUGIMZLWJQC-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCC(CC)[C@H](N[C@H](C)C1CC1)c1ccccc1	37107800	GJWGEJRKAPZIQG-DYVFJYSZSA-N	245.410	4.552	0	10	BJAE	
c1ccc(SC2CCCC2)c(NC2CCC2)c1	44481576	ZRFVWAGXRQIFJX-UHFFFAOYSA-N	247.407	4.686	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccc(SC)cc1	70977398	KBAQHFSIFCFMMY-WFASDCNBSA-N	249.423	4.789	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCC[C@H](CCC)CC1	86946112	KVASXWZXDQCALS-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CC(C)(C)CC[C@@]1(O)CCCC[C@H]1C(C)(C)C	87164185	JWYLVNXZCLVMJL-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H](C)CCC)CC1	87959579	NSCMAFKHKRSGJC-WLYUNCDWSA-N	238.415	4.988	0	10	BJAE	
Clc1cc(C2CCCC2)nc2ccccc12	127349961	HDHFBFVABNCXEP-UHFFFAOYSA-N	231.726	4.546	0	10	BJAE	
CC(C)CNC[C@@]1(C2=CCCCC2)CCC[C@H]1C	161466524	DYPRDCNREWUQGG-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CC(O)(CC(C)C)CC(C)C	163721548	RDUGAVJCSKOYDV-UHFFFAOYSA-N	228.420	4.636	0	10	BJAE	
CCCCCC(=O)[C@@H](c1ccccc1)[C@H](C)CC	164759942	BYHOCKPDSYPYOE-RHSMWYFYSA-N	246.394	4.966	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@@H]1CCC[C@H](CC)C1	169189933	LJVJPPCDOOVUIZ-IMJJTQAJSA-N	239.447	4.747	0	10	BJAE	
C1CCC(CC2(CNC3CC3)CCCCC2)CC1	203436576	HCACUSNQKJICFO-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)C1CCCCC1	225976514	IFMWRRADLMZXIR-HOCLYGCPSA-N	239.447	4.904	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@H](C)CC)cc1	227063404	HPPSOBGKKNWCLV-WOSRLPQWSA-N	233.399	4.507	0	10	BJAE	
CCCC[C@H](NC[C@H]1CC1(C)C)c1ccccc1	233019935	GZVOPJRAOXVBGL-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1c1ccc2c(c1)NCCC2	234058859	RYSXWHJLUUCJBE-BBRMVZONSA-N	243.394	4.729	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2cccc3c2CCCN3)C1	234084283	RAUDYQNPONNSSR-UONOGXRCSA-N	243.394	4.729	0	10	BJAE	
C[C@H](c1c[nH]c2ccc(Cl)cc12)C(C)(C)C	235535716	ZGZLHOZSXHNGGV-SECBINFHSA-N	235.758	4.971	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@H](CC)NCC	251320627	KAWOSGHQMXINNJ-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@@H]1C[C@H](C)CCC	251402813	ZWIFAEZXIVFJTD-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCC1(C(=O)C[C@H](C)CC(C)C)CCCC1	300991371	VQHBZBDEQZVMQX-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@H]1CCCCC1(C)C	304162558	ICCYYIQCLXTTAG-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(C2CCC2)cc1	306036801	QZPFYPXRUPXKBA-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CSc1c(S)sc2cc(Cl)ccc12	306895980	OLSMHCPCQQFYAI-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCCc1ccc(-c2csc(C(C)C)n2)cc1	310294388	KXBRXDGSYALINW-UHFFFAOYSA-N	245.391	4.886	0	10	BJAE	
CC(C)c1ccc(NC(C(C)C)C(C)C)cc1	310513286	QWEIKAKQUKSVNK-UHFFFAOYSA-N	233.399	4.903	0	10	BJAE	
CCN[C@H](CCC(C)C)c1ccccc1C(C)C	310795364	CEYYSMJDGWJJTL-QGZVFWFLSA-N	247.426	4.897	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CCC)C1CCCC1	313408274	LXXPIKROVMDFFT-GOEBONIOSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@]1(CNCC(C)C)CCC[C@H](C)C1	317935434	SBYYKWLTTNUCIK-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)c1csc2ccccc12	380029801	GBTOZZNLAGERHF-IAQYHMDHSA-N	247.407	4.583	0	10	BJAE	
CC(C)(C)CCCC(=O)C(C)(C)C(C)(C)C	381495811	MIFVASQMFPDNPZ-UHFFFAOYSA-N	226.404	4.844	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)c1ccccc1	383156631	PJHYGVOQXCVGSQ-MRXNPFEDSA-N	234.383	4.501	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)C1(CC)CC1	383214681	CWDSQTLJGLMRLR-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC1(C[C@@H](NC)C2(CC)CCCC2)CCC1	383760289	DPSSTGUAYJTXHT-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC/C=C/CN[C@H](c1cccs1)C1CCCC1	384761102	QEBPRASGWVITGE-VFQAQYNWSA-N	249.423	4.535	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)CCC(C)C	384842238	JDYGIQLYWUSFPA-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCc1ccc(C(=O)[C@H]2CCCC[C@H]2C)cc1	384981621	JNKOBNSSQYHGCK-CJNGLKHVSA-N	244.378	4.648	0	10	BJAE	
CC[C@](O)(C[C@H](C)c1ccccc1)C1CCCC1	387565114	ZGXVAYPFRINLRL-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)[C@@H]1C[C@H]1CC	387831988	YGPZHIIMICYYLX-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CSc1cc2sc(C)cc2cc1C(F)F	396401864	FRSOLBDAVNSELH-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@H](CN[C@H]1CCCC12CCCCC2)C1CCC1	398944974	XWCIRYGCLFOQRO-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](C[C@H]2CC=CCC2)NC)CC1	402315585	ILFRXLZREHVSGZ-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CCCNc1ccc2c(c1)CCCC2	404780410	QKPPPEOOFJJDGW-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CCCc1ccc(-c2cc(C)cc(O)c2C)cc1	686553894	WCPMEUDWGHBYFZ-UHFFFAOYSA-N	240.346	4.629	0	10	BJAE	
CC(C)C1([C@H](O)C[C@@H](C)CC(C)(C)C)CCC1	686925325	AAHKYMHNEJDPKX-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccc(NC[C@@H](C)CC(F)F)cc1	688767190	FJACYACGWIGMRP-NSHDSACASA-N	241.325	4.513	0	10	BJAE	
CSc1ccccc1N[C@@H](C)CC1CCCC1	689838664	PQRRPKBYQQLUFG-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCCC[C@H]1C	691134910	HNJPLDGIPZJESW-CZUORRHYSA-N	245.410	4.938	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC[C@@H]2C2CC2)c1C	696107248	UKANTXIYMWIKHK-WBVHZDCISA-N	243.394	4.684	0	10	BJAE	
CCC(C)(C)CCNc1cccc(C2CC2)c1	696704852	LRVHMYGBBRWJJQ-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCC(C)(C)CC1	697578913	HCKDAFDTDHZLND-OAHLLOKOSA-N	239.447	4.904	0	10	BJAE	
C[C@@H](CNc1ccc2ccccc2c1)CC(F)F	700204706	SHBHDQXFDIWYFA-LLVKDONJSA-N	249.304	4.543	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@H](C)C1)C(C)(CC)CC	701132318	SYTYFRUPTBLRET-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)[C@H]1CC[C@H](CC)CC1	701202963	CMEWKSCWDRKOPT-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@]1(CNC(C)(C)C)CC1(C)C	702134520	VMAOSFJZEVCTKJ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](NCC[C@@H]1CC=CCC1)C1CCCC1	706755496	QAXIBIHLMBMECC-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1[C@@H](CO)C[C@@H](C)CC(C)(C)C	709107398	YLFSJDIMGVGSER-UKRRQHHQSA-N	248.410	4.533	0	10	BJAE	
Cc1cccc([C@H](C)NC[C@@H](C)CC(C)(C)C)c1	709184546	BDOXUDQHMCGFMW-GJZGRUSLSA-N	247.426	4.718	0	10	BJAE	
C[C@H](CC(=O)C1CCC2(CC1)CC2)C(C)(C)C	711143911	FFFJPAAQMKVWLZ-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC)CCC[C@@H](C)C(C)(C)C	711208184	LDJQZESONTWCHP-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CC(C)(C)CC[C@H]2C)c1	713063323	FBPWKPXJVITUSD-IUODEOHRSA-N	249.373	4.761	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(N)CCC(C)(C)C[C@@H]1C	713175195	LUYMMRPEGGDDFD-BBRMVZONSA-N	239.447	4.602	0	10	BJAE	
CCc1ccsc1C(=O)CC(C)(C)C(C)C	713366697	URUGIKFUMIZWFN-UHFFFAOYSA-N	238.396	4.566	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)C1(C)CCCCC1	713708249	FEFRPJYHEFZMBC-MOEXGYKKSA-N	249.442	4.847	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@H]21	714310493	HTURUGLXOZQKAH-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CC(F)(F)CCCC(=O)[C@@H]1CCCCC1(C)C	718658203	BQJGBGVAGYVZBO-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC1CC(C)(C)C1	720977491	CDJRYRSCDZVHQG-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
c1cc2c(cc1SCCCC1CCC1)CCC2	1165433349	LTCFPVMFQDUQBA-UHFFFAOYSA-N	246.419	4.848	0	10	BJAE	
C=C/C=C\CCSc1cc(C)ccc1C	1656065493	UHIFJJJLVKLMQY-WAYWQWQTSA-N	218.365	4.528	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)CCC=C(C)C	1659830776	GJYIYTJTBVHELN-HUUCEWRRSA-N	225.420	4.680	0	10	BJAE	
CCc1cscc1N[C@H](C)CC1CCCC1	1902382574	XBJFHXVLUKMTAD-LLVKDONJSA-N	237.412	4.691	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@H](CC)CCC	1905434569	LCDUPHHFBRXFLR-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H]1CCC(C)(C)CCC1=O	1908066291	FTIDFOFGHJBEIU-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](O)CC1CCCCC1	1908538504	WYNHMNWPSSAOMX-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CC1(C(C)(C)C)CCC1	1910659966	RXEWYZQSYYPKPX-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@H]1CC(C)(C)CC[C@@H]1CNCC	1912084391	HTOIAHPEZHWVPV-JKSUJKDBSA-N	249.442	4.561	0	10	BJAE	
CCCCC[C@@H](NC)C1CC2(CCCCC2)C1	1912594420	GCHOCMAZCWLTQV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(N[C@H]2CCC3(CCCC3)C2)c1F	1916435839	GFUOLMGJFFFSLR-ZDUSSCGKSA-N	247.357	4.659	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)c1ccc(C)cc1C	1919919403	GSHMQILSKSLVTP-QGZVFWFLSA-N	248.410	4.727	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC1CCCCCC1	1921421044	WDTYIOIZSRWTOV-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)CCC1=CCCCC1	1924086210	KWERKLPZNVBSKO-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C=CCCC1)C1CCCCC1	1924109986	WJCONTHBZONNLZ-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H](C)C1CCCC1	1924138012	GDUHMZTYWRFROI-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@H]1C=CCCCC1	1925910558	OGGQEBYCKFNPSS-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc(NC[C@H]2C=CCCCC2)cc1	1925930186	NFCVCGHNEMLFPQ-INIZCTEOSA-N	243.394	4.797	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1csc(Cl)c1	1933596543	GYVOUZWWNSZELR-NSHDSACASA-N	246.803	4.651	0	10	BJAE	
CC(C)CCCC(=O)[C@H]1CCC[C@H](C)CC1	1939903971	RQEHLTLNELKHMX-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCc1ccccc1OCC1(C)CCCCC1	1940383482	RBIJXIAUZZQYKR-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)CC[C@H]2CC2(C)C)C1	1940853887	SEUMXRYBIBFGJA-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
c1csc(-c2ccccc2NCCC2CC2)c1	1941376901	DNSVHMBZSBNKMG-UHFFFAOYSA-N	243.375	4.627	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCCCCC1CC1	1941584944	CMRMZJQCWUVURX-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(N[C@H](C)C2C[C@@H]3[C@@H](C2)C3(C)C)cs1	1944700491	CZPZWVYHOOLKLT-LERXQTSPSA-N	249.423	4.539	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCS[C@H](C)C1	1946365982	ZQEIWVNMMYWSCF-CHWSQXEVSA-N	249.423	4.506	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)CCC(C)(C)C	1947457447	WRPLAVUBMSECKW-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1c(C)coc1C	1947529891	RCPLKTDJILYLQA-KBPBESRZSA-N	237.387	4.503	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	1949551289	JFLJHBBACOOPEB-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@H](CC1CC(C)(C)C1)NCC	1949735904	IQLYBAHKONMHQG-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC[C@@H](N)CC1CCCC1)CC(C)(C)C	1949871655	YITLMGZNUNNUFS-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@H]1CC12CCCC2	1950668314	LTRQPLNYTFJVKA-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CC(C)(C)CC[C@H](N)[C@H]1CCCC(C)(C)CC1	1950921244	DGMUCDRLEKXZHA-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@@H]1CCC[C@H](C)CC1	1950929139	DVXZYARNWXIEST-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(F)(F)C(C)(C)CCC=C(C)C	1956823858	KRJTWFLJIGNFAG-UHFFFAOYSA-N	204.304	4.804	0	10	BJAE	
CCCC[C@@H](CC)CNC1CC(C(C)(C)C)C1	1968237935	QGNZOKFKBYOVQX-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCc2ccccc2N1CCCC(C)(C)C	1968429486	DUETXHXIQTXNJF-CQSZACIVSA-N	245.410	4.654	0	10	BJAE	
Cc1cc(F)cc(NC2CC3(C2)CC(C)(C)C3)c1	1968589410	YKBRJXOKTAVHER-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1NC1CC2(CCCCC2)C1	1968831076	NOSDQBLHXSMEFW-FOLVSLTJSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@H]1CC[C@H](C)CC1)C1CCCCC1	1969374495	AHHKZWWNDZMOCW-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cscc1C(F)F	1976004222	VROFTARCBILEMZ-JTQLQIEISA-N	248.338	4.545	0	10	BJAE	
CCCC[C@@](C)(CCCC(C)C)CNCC	1978639448	QDGSUKRDOGTWNN-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC=C(C)C)NCCC	1981002967	WAOXIPWYPJEASA-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCCCC1CC(Nc2ccc(Cl)cc2)C1	1984695612	SFWZCHCZZMISFA-UHFFFAOYSA-N	237.774	4.721	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC(C)(CC)CC	1986948516	PAYILRJAHKDQRZ-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H](C)C(C)(C)C	1990092977	GGZWVWFQLSWBBS-ZFWWWQNUSA-N	228.420	4.780	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H](C)C1)C(CC)CC	1996269260	KOGCROGLCZHHKN-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@](O)(CC)C1CCC(C)(C)CC1	1996547000	MLQJRCLWNQFROU-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@@H](C)C(C)(C)C)CC1	1996588625	HQILRAAJZIYQRG-MFQJDOPTSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC=C(C)C)CC1	1997114100	CZXYMKQCGQCXFP-CABCVRRESA-N	236.399	4.908	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)CC1=CCCCC1	1998380270	MMVGTDYGTALAIG-HUUCEWRRSA-N	237.431	4.824	0	10	BJAE	
CCCN[C@@H]([C@H]1CC1(C)C)C(CC)(CC)CC	2000388882	YDWFYAARQUAPRT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1CC12CCCC2)NC	2001211705	UEYSYSHHRDPZEJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@](O)(C[C@H]1CC12CCCCC2)C(C)(C)C	2001262682	PIFILBBPSFGRAI-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)NC[C@H]1CC12CCCCC2	2001271968	BKMIETHPMHALGP-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@]2(CN)CCCC(C)(C)C2)CCC1	2002972923	ATBXXBMFDMIUNS-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC1(C[C@H]2CCCCCCC[C@@H]2N)CCCC1	2003116931	LZMBSUDUSKBHKI-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCN[C@H]([C@@H](C)CC)C1(C)CCCCCCC1	2004924021	XDJRRPNDVMHMON-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCCC(=O)C1(C)CCC(C)(C)CC1	2007681215	HZXDVWAOEYFTGR-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CCCCC[C@H](NC)C1(C)CCC(C)(C)CC1	2007699096	VVDZLACVWVGKLO-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCCCCCC[C@H]1N	2009628161	MLNTZQMIYXAOJL-REUDQUMMSA-N	237.431	4.811	0	10	BJAE	
C[C@@H]1CC=C([C@H](O)C[C@H](C)CC(C)(C)C)CC1	2010627150	ZWINZOVUVFCWJE-VNHYZAJKSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)C1CC2(CC2)C1	2012415827	FOLUURUQTVEBNI-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)NC1C[C@H](C)C[C@@H](C)C1	2013263348	GXWZEQJZFBBSGE-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)CC1CC(N)(C2CCCCCC2)C1	2014655022	IDXRLVHTGXOEPM-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)[C@@H]1CCC1(C)C	2014941187	CHQIHGUVOQEPTG-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CCCC1CC(O)(CCC(C(C)C)C(C)C)C1	2015336631	RKXXGVHBKQPYGN-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCCC[C@H]2C)CCC1	2015585039	WRMZMZUNTZTALD-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CCCCCC1CC1	2016119772	NMAOEHWPPWQTJT-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)CCC=C(C)C	2016145553	PFFKMUKNJKGVMN-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@@](C)(CNC)CC1(C(C)C)CCC1	2017145012	GJLPMGAWLXERJR-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)CC(F)=C(C)C	2017462533	BJDBNCHLUFDBQL-HNNXBMFYSA-N	241.394	4.588	0	10	BJAE	
CC(C)C[C@H](C)CN[C@]1(C)CCCC(C)(C)C1	2017625411	YZLYHDWCUYWADI-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@H]1CC[C@H](C)CC1	2017650000	BVDLKURWHZRNPI-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)[C@@H](C)CC(C)C)CC1	2017663366	SAUOKXQTZRALHP-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(C[C@](C)(CN)C(C)C)CC1	2017728390	KYZKPIXTQBQANR-UYSNPLJNSA-N	239.447	4.604	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCCC[C@@H]2C)CC1	2017731621	UCWNVFRLDQYPMC-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](CC1(CC)CC1)NCCC	2018991622	WLDYXEPVSXMBOX-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CN([C@H]1C=CCCCCC1)C1(C)CCCCC1	2019121643	LOJFKVKKQVGXMQ-HNNXBMFYSA-N	235.415	4.530	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H]1CCC[C@H](C)CC1	2019382424	PEDGTMRFWJHDGW-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CC(C)CC[C@H](C)N1CCCC[C@H](C(C)C)C1	2019408510	GJZSJEPXRUTJKV-HOTGVXAUSA-N	239.447	4.569	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H]1CCC[C@H](C)CC1	2020965131	BKHRGRSXLPLWSF-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]1C1CCCCC1)c1ccsc1	2022553773	IUUWJZRHSNPFGA-UONOGXRCSA-N	248.391	4.537	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)C1CCCCCCC1	2022557393	NZYQUYGWQYXNRH-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1C[C@@H]1C1CCCC1	2022558233	UWZDPTRYRCJJRF-AEGPPILISA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC)CCC[C@@H]1CCCC(C)(C)C1	2024091870	MDLYHSSSLLDPEZ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](O)[C@H](C)CC1CC(C)(C)CC(C)(C)C1	2024123302	LIPHGTVHASYROT-TZMCWYRMSA-N	240.431	4.636	0	10	BJAE	
CC(C)NC[C@]1(CC2CCCC2)CC=CC[C@@H]1C	2027921722	XRHXDXBWXMGRIP-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(c1ccccc1C1CCC1)C(C)(C)C	2028549423	MURLFQRVMULTLI-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCC1([C@@H](N)c2cccc(C3CC3)c2)CCCC1	2028551896	KOAUBAIPZGVQHE-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCC[C@H](NC[C@@]12CCCC[C@H]1CCC2)C1CC1	2031809096	PBMRUGBIJDDKMO-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@H]2CC[C@H](F)C2)cc1	2032978311	RAIJEXPPWJCYHL-CQDKDKBSSA-N	248.341	4.521	0	10	BJAE	
Cc1ccccc1N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1	2036670046	YTXYRYOCMIMIKK-UXLLHSPISA-N	243.394	4.766	0	10	BJAE	
CCCN[C@@H](CC1CC2(CC2)C1)C1CCCCC1	2036754980	IIERNCMUUSOUBW-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCCC12CCCC2)C1CCC1	2037157963	QHZIFBLGSFXPPL-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)C[C@H]1CC=CCC1	2037167468	WHHMOLGKTPQDDH-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(N)CCC[C@@H](C2CC2)C1	2037179438	MFHYXKVVANCQQT-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(N(C)[C@H]2CCC3(CCCC3)C2)CC1	2037681764	IDEGACLACPJCOY-GPANFISMSA-N	249.442	4.610	0	10	BJAE	
CC1([C@@H](N)[C@H]2CCC3(CCCC3)C2)CCCCC1	2037762684	QQQKERJBOGELQT-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)NC[C@@]1(C2CCC2)CC12CCCCC2	2039003823	VAYTXKPXGXUGDO-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC(NCC3CCCCCC3)C2)C1	2039459614	FIDHTIHSZVXJLX-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@@H]1CC=CCC1	2042024164	JGBHJUMPFFOXNO-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNC1(C2CC2)CCCC1	2042946271	CLPYNCZUNAAMKT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)C[C@@H]1CCC=CCCC1	2045318199	SNYJWNJYOCRMDU-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](C2(N)CCC3(CCC3)CC2)C1	2045386494	YBGKWGMFMMKRJF-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@H]1CC(C)=C[C@H](C)C1	2045759516	XPXZONQXRXVTEX-IAOVAPTHSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](NC1CC2(CCCCCC2)C1)[C@H]1C[C@H]1C	2046231089	BTBJSIIVJMFRHP-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C(C2(N)CC3(CCCCCC3)C2)C1(C)C	2046233401	NIQPHHDONDKCII-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CC23CCCC3)C1	2047056536	UKGRZAKSAALYBC-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@@H]1CCC12CCC2	2047929283	PPWRVMGLAKUBGA-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1(CC2(C)CCCC2)CCC12CCC2	2047943981	VNPIROXAKWAMQM-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2[C@H]3CCCCC[C@H]32)C(=O)C1	2048471839	PWKSHZGWMAFPMA-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](C2CCC3(CCCN3)CC2)C1	2048950075	FYFQJIKRYRMBBT-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CC2CC3(CCC3)C2)C1	2049528417	JEUPYRPPYPJWIP-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)C2=CCCCCCC2)C1	2049530673	YAIGFVFSGCWMOC-UAGQMJEPSA-N	249.442	4.811	0	10	BJAE	
NC1(C[C@H]2CC23CCCC3)CCCCCCCC1	2049669737	MULVDJFUWXAEPV-OAHLLOKOSA-N	249.442	4.789	0	10	BJAE	
CC1CCC(CN)(C[C@@H]2CCCC3(CC3)C2)CC1	2049845222	IDICBIXIMYNEDP-ISXOHVOVSA-N	249.442	4.502	0	10	BJAE	
CN[C@H](C[C@H]1CCC2(CC2)C1)C1CCCCCC1	2049861499	CZJVRMMTEVYNRF-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CCCC(=O)c1cccc(F)c1)C1CC1	2050495562	VJMOCPROGFCPGO-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCC[C@H]2CC[C@@H]21	2052287338	XPOZDGZQUJXWEM-JLJPHGGASA-N	243.394	4.801	0	10	BJAE	
CC1(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCCCC1	2052500494	JKMOMDQHNAKMAF-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)[C@H]1CCC[C@H]1C	2055221019	HBRGIFGDDNRXME-HIFRSBDPSA-N	244.378	4.504	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N1CCCC[C@@H]1C1CCCCC1	2055271135	REMKTUYEDMQUQI-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
CC[C@@](N)(C=C1CCCC1)C1CCC(C)(C)CC1	2056918084	XJLJCRUPQIAHGH-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(C=C2CCCCC2)C1	2056918929	DZBKIQQVCHBOQE-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H]2CCCCC2(C)C)CC1	2061087717	HQPNILXJNGGHHT-BMFZPTHFSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCCC[C@@H]2C(C)C)CC1	2061112266	DQCBQZLTFMIIKH-OIISXLGYSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CC=C(CC(=O)CC2CCCC2)CC1	2061193838	BWQLBRLZEQIFKV-INIZCTEOSA-N	248.410	4.908	0	10	BJAE	
C=C=CCC[C@H]1CC(C)(C)CC[C@@H]1CNCCC	2061563135	LVRGSVRMNHDPKG-JKSUJKDBSA-N	249.442	4.550	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CC[C@@]23CCC[C@H]2C3)C1	2061604586	AIQHNQGBKFTRER-SOXILONMSA-N	248.410	4.598	0	10	BJAE	
COc1ccccc1CCC1CC(=C2CCC2)C1	2061726457	QJAXYCGZTABYGM-UHFFFAOYSA-N	242.362	4.518	0	10	BJAE	
CN[C@H](CC1CC(=C2CCC2)C1)[C@H](C)C(C)(C)C	2061737779	VDGGAHXKFWIWDU-BLLLJJGKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1CC(=C2CCC2)C1	2061741055	GUNOZMKXWIZJES-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCCCCC12CC2	2062016023	CRMYSEKBZJQEOM-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CC(C)c1ccccc1C(=O)CCC[C@H]1C[C@@H]1C	2062623547	CWXCFYVPZXVMRG-KBPBESRZSA-N	244.378	4.819	0	10	BJAE	
CCCC1CC(N)(CC2CC3(C2)CC(C)(C)C3)C1	2063207119	CDBWWVXKIGORLJ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NC[C@H]2C[C@@H]3CCC[C@@H]3C2)c(C)c1	2063470366	AXESFLACQCDRPQ-PHZGNYQRSA-N	243.394	4.542	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1C[C@H]2CCC[C@@H]2C1	2063512726	ZPTJOWQSPBOQIN-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCC12CCC(CC1)CC2	2065259692	UZDFZOAEBSTWJT-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCC1)CC12CCC(CC1)CC2	2065303194	PDMFPNNUXSCILT-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CC23CCC(CC2)C3)C1	2065328991	UBCZSCZCKSIUQD-PREGVCBESA-N	249.442	4.502	0	10	BJAE	
CCc1ccc(NCCC(C(C)C)C(C)C)cc1	2068957512	GVUHNWVYPGVOFL-UHFFFAOYSA-N	247.426	4.979	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@H]2CC=CCC2)CCC1	2069334417	DCAODYJGDPHYOG-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc2c1ccn2C[C@]12CCCC[C@H]1C2	2074090391	JIESJMUPKURKCN-WMLDXEAASA-N	239.362	4.530	0	10	BJAE	
CCC[C@@H](C)CN1CC(C)(C)Cc2ccccc21	2075085985	HFILSDZPXUOSIV-CQSZACIVSA-N	245.410	4.512	0	10	BJAE	
CC(C)c1ccc([C@@](C)(O)CC2=CCCC2)cc1	2075722170	UVOKRBNSAKGLSG-KRWDZBQOSA-N	244.378	4.518	0	10	BJAE	
CCCN(Cc1ccccc1C(C)C)C1CCC1	2076759138	AOJRHUKYRBFDHB-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@H]1C[C@@H]1C1CCC1	2079445643	YMQMZPKKVNRZEC-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCC1)[C@@H]1C[C@H]1C1CCCCCC1	2079491842	MHGFYTUHNRICIP-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C[C@@H](C)c1ccccc1	2079867604	VJZYNCUPPGVILM-FVQBIDKESA-N	244.378	4.576	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H]1CCC[C@H]1C(C)C	2080252910	RONXMIKJTSXBQI-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@H]3CCCC[C@@H]32)CC1	2081136904	MADKCHWFPSESTP-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@@H](C)C[C@@H](C)CC	2081209806	URPXOSBFHYVSNO-KKUMJFAQSA-N	247.426	4.724	0	10	BJAE	
CCCNCC1([C@@H]2C=CCC2)CCC(CC)CC1	2081682068	MSQZISMZDYKUPG-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)C[C@@H](NC2CCC3(CCC3)CC2)C1(C)C	2084360898	HQJKGIWSKGHVAC-CQSZACIVSA-N	249.442	4.514	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2C[C@H]3CCC[C@H]2C3)c1	2086162702	NQPIXGZGYWNPAP-RVSPLBMKSA-N	241.378	4.555	0	10	BJAE	
O=C(CCCCCCC1CC1)c1ccsc1	2210526284	CDEWLZXFDGQWES-UHFFFAOYSA-N	236.380	4.681	0	10	BJAE	
CC(C)(C)CCCC[C@@H](N)C1CCCCC1	2211240799	WMVDXXNTHARTPA-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@@H](N[C@@H](CC)C2CC2)CC1	2213098569	PJZWEWCTZVOLMQ-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
NC[C@@H]1CCC[C@@H](CCCCCCC2CC2)C1	2213573201	FHVQSGKJSTXSEG-HZPDHXFCSA-N	237.431	4.502	0	10	BJAE	
CSc1ccccc1C(=O)CCCCC1CC1	2214561380	WOBJQGLIIFHMEP-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)C1CCCC1	2216878190	TVKOFNLIBJKZPV-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@@]1(CN[C@@H](C)CC)CC=CCC1	2217127916	IYLOJCYOFNGAJQ-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)NCC1(C[C@@H](C)C(C)C)CCCC1	2217150903	PRGWWWXGAYMEAD-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@@H]2C[C@@H]2C1	2217240204	HFJLBZLJPQEOEO-YRGRVCCFSA-N	249.785	4.503	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218333470	PERYHTYDYOBHLN-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CC1CCCCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218352062	UDPJCXWVEKCYHD-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1CC(CC2CC2)C1	2218560397	FCSDGAYBWWDHDF-MYBQVCMBSA-N	249.442	4.514	0	10	BJAE	
O=C(CC=Cc1ccccc1)CCC1CCCC1	2219082616	OKWYKYUEBXOIPY-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
CCCCC[C@@](N)(CC)CC=Cc1ccccc1	2219085723	AAVWLTGRZIPVKJ-KRWDZBQOSA-N	245.410	4.778	0	10	BJAE	
C[C@H]1C[C@@H]1c1ccc(C(=O)CCCCC2CC2)o1	2220013727	NZOTUTQPMLPVGR-AAEUAGOBSA-N	246.350	4.556	0	10	BJAE	
COc1cccc(C)c1N[C@H](C)CCC=C(C)C	2220299944	HNBQHAHHIBGQPR-CQSZACIVSA-N	247.382	4.550	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@]1(C)CC=C(C)CC1	2221612861	ATQMRFDAVYDSLI-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CC1=CC[C@](C)([C@@H](O)CC2CCC=CCC2)CC1	2221629517	ZQKHOFMMXBAYRP-IRXDYDNUSA-N	248.410	4.620	0	10	BJAE	
CC[C@@H](NC[C@]1(C)CC=C(C)CC1)C1CCCC1	2221642056	BBZTXUJZURJTSD-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)(CNCC2CCCCCC2)CC1	2221642602	HJLJYEJCLNRJBS-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C2C[C@H](C)C[C@@H](C)C2)CC1	2221642859	JYCJITPSNBOHSB-CPUCHLNUSA-N	248.410	4.764	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H](C)C2CCCCC2)CC1	2221644986	VTWJPRFJSYFDPV-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1CC(C)(C[C@H](O)C[C@H](C)CC(C)(C)C)C1	2246527700	QJRNWKFJVOLANT-PGOFDVKTSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)NCCCC[C@H]1C[C@@H]1C	2247093383	SCGDEGILJXGOES-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H]1CCCC(C)(C)C1=O	2247096724	IGVRBKKAUORTII-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC1(C)CC(N)(CCCCC[C@H]2C[C@@H]2C)C1	2248812433	ACSRCMGRVGZPNJ-FXQLRMTLSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)CCCCC[C@@H]1C[C@H]1C	2248845276	PQGSXPRQBPYEPG-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CCCCC[C@@H]1C[C@@H]1C	2248854985	QQZOFJKHJWILIA-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCCC(=O)C1CCCC1	2248868117	ZKACHPLRCVBKNF-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC(C)=C(C)CCNc1cc(C)c(C)c(C)c1	2249488627	OICWKNJVJFJNOL-UHFFFAOYSA-N	231.383	4.770	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC[C@@H]1C)[C@H](CC)CCC	2250372536	QCIPXVDCDQHAGO-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(C(F)F)cc1	2250377788	HVPZBCHPEBSYHP-NSHDSACASA-N	241.325	4.862	0	10	BJAE	
CN[C@H](CCC[C@H](C)CCCC(C)C)C(C)C	2250479105	PVVUKGYCUYIRMR-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(=O)[C@@]12CCC[C@@H]1CC2)CC(C)(C)C	2251111825	SLNZPAPBESSSJK-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H]1CCC(C)(C)[C@H]1NCCC	2251702459	RSAMEGIMJMKTCM-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](C[C@H]1CCCCC12CC2)C1CCCCC1	2253791023	GXVYQIHAUWTVIG-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCCC1CC1)CC[C@H]1CCCCC12CC2	2253876684	YJJLEACINVMEOS-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](CN)(CC[C@H]2CCC[C@@H](C)C2)CC1	2253911089	ORXZOJSLUJWCLW-BRWVUGGUSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CC3CCC2CC3)C1	2253994413	DYOIHGWIJMIWRB-AKNDPVLGSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(F)c(C(=O)CCCC[C@@H]2C[C@H]2C)c1	2254611647	RUHYKKCNLBVLBA-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@H]1CCC12CCC2	2255027292	KWHRCLAIOVTWNB-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
O=C(CC1=CCCCC1)[C@@H]1C[C@@H]1C1CCCCC1	2255138350	ZSGVURAMUISOPN-HZPDHXFCSA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H](C[C@H]1CCCC12CC2)CC1(C)CCC1	2255246346	OGJVKAFZQOQRIT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)CC[C@H]1CCCC12CC2	2255285421	XBWMOHRFZMJNKB-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(NCC2CCCCC2)c1	2257944897	IMFMSRBSSMMBIO-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1cc(C2CC2)ccc1F	2259129529	YJSKLMYUNUNARU-LLVKDONJSA-N	249.373	4.940	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H](C)CC1CCC1	2298913012	BOCKRFSUFGWDJT-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCNCC=C(C)CCCC(C)C	2300870352	SYHCPWLMEGPANG-UHFFFAOYSA-N	237.431	4.705	0	10	BJAE	
CC(=CC[C@]1(O)C[C@@H](C)[C@@H]1C)CCCC(C)C	2300911023	FXBKPFCLLPTCCS-PMPSAXMXSA-N	238.415	4.556	0	10	BJAE	
CCc1ccc(-c2ccnc3ccccc23)s1	2301458746	YLWXLGZPPYQSMZ-UHFFFAOYSA-N	239.343	4.526	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N[C@H](C)CC1=CCCCC1	2301843893	MNWHZNARCJYJEY-ILXRZTDVSA-N	237.431	4.536	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H](C)CC(C)C)CC1	2303597027	MCDDDBUOTWWARS-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
Cc1cc(NCc2cccc(C(C)C)c2)cs1	2303746611	SOLAUAMOAJTFHA-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](O)CCC2CCC2)C1	2304431860	OYOOPSYTLZVKEW-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2nc([C@H]3C[C@@H]3C)cs2)C1	2307687645	KHODJYKZLHQOKW-RNJOBUHISA-N	249.423	4.950	0	10	BJAE	
CCC[C@H]1CCCCN(C[C@H](CC)CCC)C1	2307749168	HPQVHHAAKMFMCX-CVEARBPZSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1CC(C(C)(C)C)C1	2307833990	GENNHTIJRQCYFU-VXGQWTEUSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)CC1(CO)CC2(CCCC2)C1	2307879629	SFRNCRPLXAYVAD-AWEZNQCLSA-N	238.415	4.536	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@H]1CC[C@H]1C	2307891472	CKYFYOIHTWPROA-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)C1(C)CCCCC1	2307892645	IYHAHRGJTBLLRY-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)c1ccccc1	2307897846	FKIJAUSTYYIWGI-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCC[C@@H]1C1CC1	2307903229	NYAUMMKHWANZQR-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)[C@H](C[C@H](CC)CCC)C(C)C	2307904339	SFEVMZUTTTZQEJ-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(C)CC2(CCC2)C1	2307904448	UIOOWGJTVTXNBT-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@]1(C)CC=CCC1	2307905558	ZWSMMUWLBXZWTC-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@@]12CCC[C@@H]1CC2	2313294687	HPOIXXFSJMNBQK-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@]1([C@@H](C)CC2CCC2)CC=CCC1	2313582310	YGXDKBFMBDORNF-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCC1)N1CCC2(CCCCC2)CC1	2313613280	UFXXLTNAUYQSJT-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@H](C)CC1CC1	2313698485	LSTFULFVEZNOMH-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](N)[C@H]1CCCCC12CCC2	2313701936	NGIKRPKJINCXFJ-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC(=CCC(=O)[C@@H]1[C@H]2CCC[C@H]21)CCCC(C)C	2316510258	UETJMBXMAZOUEP-QLPKVWCKSA-N	248.410	4.764	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1C[C@H]2CC[C@H](C1)C2	2316531482	FVWNZAJPKAELAA-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cnccc1C(=O)CCCC(C)(C)C	2316599523	RNIJULPWTQXWDJ-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316791630	OSOPUYNSBYKCND-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@@H]1CC12CCCC2	2317004849	QTDLXMFFXGWGJH-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@H](C)[C@H](C)C(C)C)c1cccc(C)c1	2317629600	JJZSHJAOYRATJA-INMHGKMJSA-N	247.426	4.716	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1[C@H]2CCCC[C@H]21	2318562043	RPFNLOIEKGBRGQ-QLPKVWCKSA-N	246.394	4.662	0	10	BJAE	
C1=C(CCCN2C[C@@H]3CCCCC[C@H]32)CCCC1	2318576235	NCLJNVIUKTZXHR-DLBZAZTESA-N	247.426	4.532	0	10	BJAE	
CC1=C(C)C[C@@H](CC2(O)CCC3(CC2)CC3)CC1	2320339424	DMZVRJFVNBUEGC-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](N)c1cccc(C2CCC2)c1	2320651314	FXXIIEWAJFXVEU-YATRRXNKSA-N	243.394	4.700	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@@]23CCCC[C@H]2CC3)C1	2321630945	LKKWFKAJJXMZDA-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC(=CC[C@H]1CCC(C)(C)C1)C1CCC(N)CC1	2321635078	XRWGKHSREXNZDK-FHERZECASA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2CCC[C@@H]3C[C@H]23)C1	2321635617	ACUYUFLNEKLIGK-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)CC=C1CCC([C@@H]2CCNC2)CC1	2327904658	COHZBUIITUXIHV-OEMAIJDKSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@@H]1CC[C@@H](CCCCC)N1	13437543	YDPNIEQSKNIPHC-HUUCEWRRSA-N	225.420	4.658	0	10	BJAE	biogenic
CCCCC[C@H](C)Nc1ccc2oc(C)nc2c1	19993252	JSCYTNANOHIHKL-NSHDSACASA-N	246.354	4.517	0	10	BJAE	
CCCC[C@H](N)c1ccc(-c2ccccc2)cc1	20012442	MHSNJZUGDPPPSJ-KRWDZBQOSA-N	239.362	4.544	0	10	BJAE	
CCCCc1ccc([C@H](CCCC)NCC)cc1	35548042	LINKBHJGUKGPIW-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CCCCC[C@@H](NCCC)c1ccc(CC)cc1	35582580	JLHRTMYVUMFTOA-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1	36697067	LSRYAAWAMYNPIV-USXIJHARSA-N	245.410	4.868	0	10	BJAE	
CCc1ccc([C@@H](C)Nc2ccccc2F)s1	41202513	XOGCZYDDCIUNOC-SNVBAGLBSA-N	249.354	4.623	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cccc(F)c2C)cc1	43319454	WOKINYQLELGTBL-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCCCC[C@H](C)n1c(C)ccc1C	70130787	DEQIHVRZBDKXJQ-LBPRGKRZSA-N	207.361	4.636	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@@H](C)C1CCCC1	70305254	JYDJSRBFZAHWJV-AWEZNQCLSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@@H](C)NCCC1CCCCC1	71104307	SOJOMYBRMQTDPT-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCCCC[C@@H]1O	71110177	XAGGYXCMJJRJIF-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CC[C@H](C)[C@H](Nc2cccc(Cl)c2)C1	82857293	DIMKRGBNZWKYGN-COPLHBTASA-N	237.774	4.577	0	10	BJAE	
CCCCCCN[C@H]1CCC[C@H](CC)CC1	83435169	LNWNEZHPQKFVOT-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)CCNC(C)C	87950353	GHOJDMRSLZZLKY-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CSc1ccccc1NC[C@H]1CCC[C@H](C)C1	89606209	SIMARSSDFXKXGX-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CCc1cccc(C)c1NC[C@@H]1CCC[C@H](C)C1	89607913	LWGURPQPKYFMFX-DZGCQCFKSA-N	245.410	4.796	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)c1ccccc1C	103935326	HZARSVKJEBYHBA-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	103938800	LYKQOFIZDLLEBM-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1c(C)c(C)cc(C)c1C	110202293	SEVAQTGFUUOLSX-INIZCTEOSA-N	247.426	4.617	0	10	BJAE	
CCCCCC[C@H]1C[C@H](C)CC[C@@H]1NCCC	110446002	INNGTFYBIYQIKH-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
Clc1cccc2c1ccn2[C@H]1C=CCCC1	123744215	YRBRVNNAETVCFU-NSHDSACASA-N	231.726	4.576	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CC1CCCCC1	124545215	BEEUQUUZGOLQHJ-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC1(CN)CCCCCCC1	128816669	ONGSGHNOKFVROU-UHFFFAOYSA-N	225.420	4.502	0	10	BJAE	
Cc1ccc(CCCc2ccc(C)s2)cc1	149301288	VZRNRNPFAVDFLB-UHFFFAOYSA-N	230.376	4.540	0	10	BJAE	
CCCCC1CCC([C@@H](O)C2CCCC2)CC1	160611283	AUVIBBRCJYPWMV-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C(C)(C)CC	161084495	KYJNSNBFAFAXIV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Clc1csc(-c2ccc(C3CCC3)cc2)n1	164164844	VUZGJSTVOMWZEN-UHFFFAOYSA-N	249.766	4.731	0	10	BJAE	
CCCCCCC(=O)[C@@H](CC)c1ccccc1	164721559	DKWSOUDOMKFYFR-HNNXBMFYSA-N	232.367	4.720	0	10	BJAE	
CC(C)CCC[C@H](N)C1CCC(C(C)C)CC1	165892206	LKPMMTAIEAGQCX-GPANFISMSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1	166039386	GZIFXBIQVMZXAZ-LJISPDSOSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@H](C)C(C)(C)C	166846759	GLEKLOZQIIAWLB-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CCC1CCCC1	166903350	QIHVNTGLNXNLOL-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
Cc1ccccc1C1([C@@H](C)F)CCCCC1	220340309	QZYSODLFWIKJLO-CYBMUJFWSA-N	220.331	4.555	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC[C@@H]1CC	229631431	QKKPGMYCJHOOQY-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCC12CCCCC2	230172321	ZVNZEULVGOFSEQ-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@]1(O)CCC[C@@H](C(C)C)C1	231009583	ZTSTWTNULQXDRH-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(-c2ncc(-c3ccccc3)o2)cc1C	260511466	MHPJSGDSCLHARL-UHFFFAOYSA-N	249.313	4.625	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C2(C)CCCCC2)C[C@H]1C	300245314	SRNUJKKERCIUHL-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@H]2CC)ccc1C	302282958	JHPOXHUUTKBPDY-CZUORRHYSA-N	231.383	4.548	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1ccccc1C1CCC1	302346449	MOUJOUROZTVXQY-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)C)C1CCCCC1	305901400	BARZWMVNVFLYAQ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C1CCCCC1	305971848	YZZXNGSWGQCVJZ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(N[C@@H](C)CCC(C)C)cc1C	306007203	LSEXGJYGGZPGAA-AWEZNQCLSA-N	233.399	4.794	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)c1cccc(CC)c1	308023472	VONSZDUSAKAIHR-WBVHZDCISA-N	248.410	4.745	0	10	BJAE	
CC1CCC(CC(C)(C)CNC(C)(C)C)CC1	310110120	FFLIAMLGMKJOOV-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1CCC[C@H](C)C1)NC	310178601	VVIRHJCUJSKLDY-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CCC2(C)C)CC1	310401222	UOSWFJFNQNPOAH-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
Cc1oc(C)c(C(=O)CC2CCC(C)CC2)c1C	310812612	AKUMXWQPKCLRNX-UHFFFAOYSA-N	248.366	4.604	0	10	BJAE	
CCC[C@H](NCCCC(C)(C)C)C1CCCC1	313268191	VIWWAVYFCIUOAI-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@@]1(C[C@@H](C)CCC)CC=CCC1	316831150	LOTNJEYGSOBFMU-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC(C)NCC1([C@@H]2C=CCCCCC2)CCCC1	317720498	JOGZSYVPHHPEGM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCCCC2)CCC[C@H]1C	317724175	KDPAXKQVOWSQFW-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)CC1CCC1	383263991	MEUCOTZKDFUMGO-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]([C@@H](O)CC1CCC(C)(C)CC1)C(C)(C)C	383614207	TZNMUXUFQSLTLZ-JSGCOSHPSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)c1ccco1	385109553	CQWHKZDPHQCBBT-OAHLLOKOSA-N	247.382	4.601	0	10	BJAE	
Cc1cc(F)ccc1NC[C@@H](C)C1CCCCC1	386260715	UZZVVGYYADQJHO-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
C/C(=C\CCNCC(C)C)CCCC(C)(C)C	393895461	TVUIFPWATJQSTC-XNTDXEJSSA-N	239.447	4.785	0	10	BJAE	
CC1(CNc2ccccc2F)CCCCCC1	394608152	SCCPEQKGVYTZRE-UHFFFAOYSA-N	235.346	4.598	0	10	BJAE	
CCC1([C@@H](N)CCCCCC(C)C)CCCC1	394844695	BOCFVSJEFJLKFZ-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCCC(C)(C)NCCCC1CCCCC1	395248486	YXAHKRDHYHYODN-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCc1ccc2sc(F)cc2c1C(F)F	396198148	NKOAOGCSYJNTJG-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CSc1c(C(F)F)sc2cccc(C)c12	396412414	VUGOWCWHUKZEKD-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCCCC1(C)C)C1CCC1	398778244	BZWITHOWBWTRQO-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](c1ccc(CC)cc1)[C@H](C)C(C)(C)C	399178650	NTJDAWHFKQDNJZ-BBRMVZONSA-N	247.426	4.582	0	10	BJAE	
CCCC1(CNc2ccc(C)c(F)c2)CCC1	687526007	NBCLUOQPXQNWIT-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1(CC)CCC1	687585142	MIHNZJXGRILSHK-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@@H]1C[C@H]1CC	688938721	AFOAFEYBDCSHEU-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CCC1(CN[C@H](C)CC2CCCCC2)CCC1	689756860	TXDIXSAOEXBSSW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)CC1CCCC1	689763452	LIRGZSGRLZZAEY-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)C1=CCCCCC1	691178797	YDJQLYGWNNOIHX-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1cccc(C(C)(C)C)c1	697598604	KKBFIYYBGZODHD-MRXNPFEDSA-N	246.394	4.764	0	10	BJAE	
C[C@H]1CC[C@@](C)(C(=O)C2CCCCC2)C1(C)C	699082057	CFKZVCFCVDMZTI-LRDDRELGSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C1(CC(C)C)CCCC1	701096316	SXRKZXMVRFGBOE-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)c1csc2ccccc12	702130229	FMIQJEZFCOVNPZ-HNNXBMFYSA-N	244.359	4.520	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)CCCCC23CCCC3)C1	704489213	QBSSBTGEFUASQB-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H](C)CC(C)(C)C	704684993	MJHBQLKXAWXKIH-CZUORRHYSA-N	248.410	4.916	0	10	BJAE	
CC(C)=CCCc1ccc2ccccc2c1	704727994	QJQHMGVAGDGEFK-UHFFFAOYSA-N	210.320	4.739	0	10	BJAE	
CCCCCC[C@@H](C)NC1C[C@H]2CC[C@H](C1)C2	704837500	LDOJGNMSBRWTGA-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@]1(N)CCCC12CCCCC2	704859729	GXMPIHCBVVOBCD-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCCCNc1ccc(F)cc1Cl	707373561	JEGKYJCUPRDZSQ-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CC(C)C[C@@H](C)[C@@]1(N)CCCCC12CCCC2	707758323	VXTZWWAVGJWKDW-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCCC[C@H]2C)c1C	709164854	CRGSAUYZELFESS-UKRRQHHQSA-N	231.383	4.684	0	10	BJAE	
CC1CCC(C[C@](C)(N)[C@@]23CCCC[C@H]2C3)CC1	709278168	OWIMBYUGWDSUIE-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]3C[C@@H]32)CC1	710606798	HPAKKLYNXBJSLJ-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@@H](C)C(C)(C)C)CC1	710752198	SCPIQLGSPRFLCX-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
C[C@H](C[C@@]1(N)CCC12CCCCC2)C(C)(C)C	710753530	MYONPFKWERRXPV-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1C[C@H]2CC[C@H](C2)C1	710870863	LDOJGNMSBRWTGA-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(O)CC1(C)CCCC1	713030852	LIDNPEPSSAZKDV-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CNCC(C)C)CC(C)(C)C(C)C	713224013	XPBBCPXKSIUHEU-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)CC(C)(C)C	1205889221	BMQVGKHJCADJSQ-ZIAGYGMSSA-N	225.420	4.536	0	10	BJAE	
CCC1(CC)CCCN(CCC=C(C)C)CC1	1653302179	NGKSMLPHYOFDCX-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC12CCCCC2)C1CC1	1875416957	AHNBRDCSOBMNKG-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)CCC(CC)CC	1900701863	NFWZORSBNDAZNM-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC=C(C)CC	1900883001	BPHJSQWQPQHOCG-HUUCEWRRSA-N	225.420	4.667	0	10	BJAE	
CCCN[C@@H](C)CCCC1CCCCCC1	1901060163	DLZOKCRLIVFECB-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](N)C[C@@]12CCC[C@@H]1C2	1908432049	ODXXKOYMVZJGAK-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)CC[C@@H]1C[C@H]1C	1910145869	URRSFCCCKIGJAK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1C[C@H]1C1CCCC1	1910809135	HSKJQMQZVLQNPM-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
Cc1c(Cl)cccc1CC[C@@H]1C=CCC1	1913218046	WVLLMMBRLSMPLN-GFCCVEGCSA-N	220.743	4.547	0	10	BJAE	
CCCCC[C@H]1CCCCCCCC[C@H]1NC	1913391818	KRPXJWYUXRYZAC-JKSUJKDBSA-N	239.447	4.905	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H](C)CC(C)C	1920193864	MZZRZRNDZMIHEP-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1CCC[C@H](C)C1	1920194628	UFOQJBJYETZFPV-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(N)c1ccc(C(C)C)cc1	1920440818	PWRMSHFTINBRHN-PBHICJAKSA-N	247.426	4.810	0	10	BJAE	
CCC1CC([C@H](CCCCCC(C)C)NC)C1	1921299416	XUMGJJYAACUZJR-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC[C@@H]2CC2(C)C)CC1	1921548282	FMINPSDRYNUGCY-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@H]2C=CCCCC2)C1	1925804673	GBVXOQVLRMYDGA-VQCLRJIVSA-N	234.383	4.518	0	10	BJAE	
CCC1CCC(CNC[C@H]2C=CCCCC2)CC1	1925942023	DNKDLAWIIQWINU-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCCCC[C@H]1CC	1926170183	HSLXTWVJUSOCLE-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2CCCC2(C)C)CCCCC1	1940409701	PJMICNZFNQFFCC-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)C(=O)CC[C@@H]1CCCC1(F)F	1940731050	GPLAHJMKFKFUGR-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC[C@H](C[C@@H](O)CCCC1(C)CC1)C(C)(C)C	1940869956	PJBAVQKPXXAFBS-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCCSC[C@H](C)Nc1ccc(C2CC2)cc1	1941170385	YNMMRRKASBBZSW-LBPRGKRZSA-N	249.423	4.508	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](O)CCCCCC1CC1	1941574463	BASGJCGHNPCAGE-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CCCC1CCC1	1941689641	IXNOUIQETWKCGP-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)C1(C)CC(C)C1	1941979901	KEONDSXICYODQD-PYBGIAKNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@@]12CCCC[C@@H]1CCC2	1944140983	HMFFAPVEPVCUTL-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)C(C)(C)C1CCCCC1	1944619255	VQZXCOZXAWACFU-ZFWWWQNUSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCCCNC[C@H]1CCC[C@H]1C	1944845884	LCRSPOLGQPHDMX-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)CCC1CCCCC1	1947461026	HYQJKNLYARKBTQ-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1c(C)coc1C	1947524892	DUGZHVUGGIJFRC-KGLIPLIRSA-N	238.371	4.536	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CCC[C@@H]1CC1(C)C	1949055598	SFHXKEKVAHKVMU-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC23CCC3)c1	1949323289	YUDRQHXMKSDASS-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@@H]1CCC(C)(C)C1	1949533453	CAIUEADCHBCAKU-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCCC(=O)CC1CC(C)(C)C1	1949734101	NWCPJWYXSXIUND-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1CCC[C@@H](CNC2CCCCCC2)CC1	1950911331	NRKCIVDQMPWDRQ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CCC2CCC2)CC1	1950913266	FYFCOTNINWKQBL-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CCCC2CC2)CC1	1950917019	CPZJNCYOJCWGPJ-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCCC[C@H](C)C(F)F	1955138117	MAKWRHBEPCCDND-NSHDSACASA-N	204.304	4.804	0	10	BJAE	
Cc1cc([C@@H](N)CCCC(C)C)sc1Cl	1960258148	BONLRUCBJKUIBA-JTQLQIEISA-N	245.819	4.536	0	10	BJAE	
CCC(C)(CC)NCc1ccc(C2CCC2)cc1	1963159196	NFIHKSSKIGDQJR-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2CCCCC23CCC3)CC1	1967793466	HGZQKWVJWKQCDM-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC3(CCC3)C2)cc1F	1968320839	RSTQJCLEJKDIPM-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
Oc1ccccc1-c1ccc(C2CCCC2)cc1	1968582779	PGTWPKGQBWWKPS-UHFFFAOYSA-N	238.330	4.717	0	10	BJAE	
C[C@H]1CCC[C@@H](CNC2CC3(CCCCC3)C2)C1	1969004584	CPMVXLTXAXHDSG-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCN([C@H]2CCC3(CCCC3)C2)CC1	1970296647	OGBZDFYMNZGBQH-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@H](CNC2(C3CC3)CCCCC2)C1	1973784380	WZBZUIMCQRKGTN-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@]1(CN)CCCC(C)(C)C1	1980262846	QGZGDOWMTBRAFM-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CCCC[C@](N)(CC)CC1(CCC)CCC1	1988467291	SWGCPXPSFBXFAO-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCCC1(C[C@](N)(CC)C(C)(C)C)CCC1	1988467765	YAVVYHQULPAQEI-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)CCC=C(C)C	1988795581	VIMGXQWWOIKRHN-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CCC2(C)C)CC1	1997101879	BXGJHTMIMXWSHB-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@@]1(C(=O)CCC2=CCCCC2)CC=CCC1	1997605414	YBUHKJZSWIKEAE-MRXNPFEDSA-N	232.367	4.583	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)[C@@H]1CCCC(C)(C)C1	2000144636	YUUUJWLYTAIQEZ-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCC1(CC(CC)(CC)CNC(C)C)CCC1	2000499806	NTRKVZKKNLVGGN-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CN(C)[C@@H]1C[C@H](C)CC(C)(C)C1	2000896774	ORTNLANGOIGSQU-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCC1CCC([C@H](C)NCCC=C(C)C)CC1	2002926402	SEFOBTKCBNAGPD-FHERZECASA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(N)[C@@H]1CCC[C@H](C)C1	2003013970	AFLGNHPXEZGPGA-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H]1CCCCCCCC1=O	2003070240	KEKQRTAGLWQWFO-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC(C)C1CC(C2(N)CCCCCCCC2)C1	2003095055	KMGZYWHYOSKIMA-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C2(O)CCCCCCCC2)C1	2003110106	AWKKDLGCHOWZQG-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCC(=O)CC1CCC2(CC1)CC2	2003286193	AWWSGBNPBXMEDZ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC)C[C@H]1CC=C(C)C	2004228178	OGQRFHIVEXSLOJ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H](C)C1CCCC1	2004233524	YBUGPGAJTQQIMA-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](C=C1CCCC1)NC	2007941834	FHZPZJCQLYVOAQ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)C=C1CCCCC1	2007969684	VIBROTHUXFISCY-MRXNPFEDSA-N	237.431	4.523	0	10	BJAE	
CC=CCCCN(C)[C@H]1CCCC(C)(C)CC1	2009572807	OXYALBQEEBJBDG-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCCC12CC2)c1ccsc1	2011273178	ZEDSMAASDZRNET-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C(C)(C)C1CCCC1	2011569788	KIHJFERLLHNYOQ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@](CC)(C(C)C)[C@@H](C)CC(C)C	2012421142	IXJXVJNEBGFMCL-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(F)c(C)c1	2013263238	GFUKILHRQHODPX-ZDUSSCGKSA-N	237.362	4.761	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1C[C@H](C(C)(C)C)C1	2013707718	OADWKWPHYRWUGR-MGPQQGTHSA-N	239.447	4.616	0	10	BJAE	
CC(C)C(CC[C@@](C)(O)CCC1CC1)C(C)C	2015337771	CEWJHWXFFDAUPE-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@@](C)(N)C2CCCCC2)CCC1	2015588306	DQCYTNSWMYTEPY-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@](N)(CC)[C@H]2CC2(C)C)CCC1	2015644108	JKYZPEISRFLJNG-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C[C@@H](C)CC(C)(C)C	2016144667	KKDJEVPBDOOVCY-GOEBONIOSA-N	240.431	4.946	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)C1(C)CCC(C)(C)CC1	2016415710	BVEJEVBUELXOSL-MLGOLLRUSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@](O)(CC2(C(C)(C)C)CCC2)C1	2017114412	LKGBMQICDCRCOQ-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C1(C(C)(C)C)CCC1	2017133631	VCSJQGGRTZPOTG-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C[C@H]1CC[C@H](CC)CC1)NC	2017725083	QEKSUDLQNKRZCL-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)(CC1CCC(CC)CC1)C1CC1	2017728040	GYPMBWRXIFJFQF-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C1=CC[C@H](C(C)C)CC1	2017794826	VSSYUAZCDFINNC-BBRMVZONSA-N	237.431	4.523	0	10	BJAE	
CCC[C@](N)(C[C@]12CCCC[C@@H]1C2)C(C)(C)C	2018571740	UQWMQMGHQSVQIG-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC1CCCC1)CC1(CC)CC1	2018992302	PSIMXORJCYMKNU-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCN([C@H](C)CC)[C@@H]1CCC[C@H](CC)C1	2019198703	BGAIRGFVKDKAGQ-OWCLPIDISA-N	239.447	4.856	0	10	BJAE	
CCCCCCN1CCCCC12CCCCC2	2019292359	XHMWSVBMXMGGNZ-UHFFFAOYSA-N	237.431	4.756	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccccc2C2CC2)C1	2021026284	PLMDWWQRNQPUJP-TZMCWYRMSA-N	229.367	4.555	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@H]1C[C@H]1CCC	2022392381	ZUFKGGIMAAPWHJ-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)[C@@H]1C=CCC1	2023257444	MJAYUAQOSZHPRX-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN(C)CCCCC(C)(F)F	2023440986	IWJDMIDKEVFPNZ-UHFFFAOYSA-N	249.389	4.570	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](C[C@@H]2CCCC(C)(C)C2)C1	2024091451	IQNZXGQQOQODNC-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@H]2CCCC(C)(C)C2)C1	2024102769	VULBZXNZUZBEFP-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC[C@@H](C(C)C)C1	2025632608	ZLPOTYRHHQWMJK-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CC(C)NC[C@]1(C2CCCCC2)CC=CC[C@H]1C	2027921203	UPXUKTRJLXXNBU-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)[C@H]1CCCC[C@@H]1C	2028897327	KZHDDMIBTDUVCD-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCc1ccccc1OCC1C[C@@H](C)C[C@H](C)C1	2031816119	DKUAIYIXHYIOKW-KBPBESRZSA-N	246.394	4.700	0	10	BJAE	
C[C@H]1C[C@H](C2(N)CCC3(CCC3)CC2)CC[C@H]1C	2032249292	BFSMQNHLZOBVQU-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2033558392	KOTNOTIHMUKDEQ-GBJTYRQASA-N	248.410	4.598	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)C[C@H]1C=CCCC1	2035599146	MDJWPVNGAHAXEO-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CCC1(C)CC(C(=O)c2cccc(C3CC3)c2)C1	2036477524	OKPGSEPUZYLGSI-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C[C@H]2CCC[C@@H](C)C2)c1	2037047953	ICIAAXPVNYJAFF-PVUWLOKVSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@H]1CC[C@@H]2C[C@@H]2C1	2037130036	KKYUHPQOSBOYDJ-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1C[C@@H](C[C@H]2CC=CCC2)CCC1(C)C	2037866309	YDRLEOTWTKZSSF-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1NC1C[C@H]2CCC[C@@H]2C1	2038623028	QPVINVLPAPRHGF-HUUCEWRRSA-N	243.394	4.630	0	10	BJAE	
CC(C)(C)CCC1(CN)CC2(C1)CC1(CCC1)C2	2039459362	BGKSOHCCEQXAGV-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](N[C@H]1CC12CCC2)C1CCC(C)(C)CC1	2040683950	OKHINYHHCMZMCS-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H]([C@H]1CCCC[C@@H]1C)C1(C)CC=CC1	2042016737	NLTCCSXSJGELHE-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]([C@@H]1CC=CCC1)[C@@H]1CCCC[C@@H]1CC	2042024109	IQULBAIEJQVTID-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](N[C@H](C)CC1=CCCCC1)C1CCCC1	2043187903	PFAHHZWBTNDARG-RHSMWYFYSA-N	249.442	4.824	0	10	BJAE	
C[C@@H](C1CC2(CCC2)C1)N(C)C1CCCCCC1	2043568985	GDFZMBDHCBYPFI-AWEZNQCLSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CC[C@@H]1N[C@H]1CCCC2(CCCCC2)C1	2043670861	WLLQKIHYVZABQD-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2CCC=CCCC2)C1	2045314047	GEUXFQRGMPZFQG-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CCc1cccc(OC[C@H]2CCC=CCCC2)c1	2045315612	VXNYYDCAYRMNBJ-INIZCTEOSA-N	244.378	4.764	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CCC1CCCCC1	2045683346	ZCPYWMRCHAJLNM-WMLDXEAASA-N	248.410	4.908	0	10	BJAE	
CCN[C@@H](c1coc(C)c1)C1(C)CCCCCC1	2045795564	ZNOKDJOGPGCZNT-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCCC[C@](C)(CC=Cc1ccccc1)CNC	2045976822	UKISUGPPUROXKB-QGZVFWFLSA-N	245.410	4.506	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2C[C@H]3CCCCCC[C@@H]32)C1	2047428418	YFTWQSXGOJWHPV-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2[C@H]3CCCC[C@H]32)C1	2048470262	MFGDMTMNMKDTKU-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CCC1CC([C@]2(CNC(C)(C)C)C=CCCC2)C1	2048637468	NQBBEFCKESOBLW-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
CC1(CC2CCC3(CCCN3)CC2)CCCCC1	2048953992	SVAQWDXKXPHTSC-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CCC2=CCCCC2)C1	2049499399	UKLGXSCVLZQXBG-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@H]1CCC2(CC2)C1	2049844519	BGHQEUPAMIXLEN-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC2(CC2)C1)[C@H]1CC1(C)C	2049858617	RQLCDWCRALOGMT-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2CCCC3(CC3)C2)CCC1	2049962488	FUCGRQUBMVCGFA-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC1(C(=O)CC[C@@H]2C[C@H]2C2CC2)CCCCCC1	2052499935	AWIIZJLGUAOHST-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CC1(CNC[C@@H]2CC=CCC2)CCCCCCC1	2052506344	WTQRGSACVOAYDC-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCC1CCC(CN[C@@H]2C=CCCC2(C)C)CC1	2055531446	HRXOPQUHBCLFMS-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](O)[C@@H](C[C@H]2CCC=CCCC2)CC1	2055545536	VIUNGWGSXCWWEH-BBWFWOEESA-N	248.410	4.620	0	10	BJAE	
CC1=C(C)[C@@H](NC2CCCCCCCC2)CCC1	2055551737	ISVLSLZQFIXRLF-KRWDZBQOSA-N	249.442	4.968	0	10	BJAE	
CC=CCCC[C@@](C)(O)c1ccc(C(C)C)cc1	2059222576	BEELJOOVHIWDCG-QGZVFWFLSA-N	246.394	4.764	0	10	BJAE	
CC=CCCC[C@@H](N)c1ccccc1C1CCC1	2059225618	PAAQGFCLBHWHIO-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@]1(C)CC=CCC1	2059258591	IBFAWUVXKAPYQV-XQTSXYSPSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC1(C)C)C1=CC[C@H](C)CC1	2060925281	JXYXKOKNPCQPOJ-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](CC[C@]23CCC[C@H]2C3)NC)CCC1	2061613672	ATQQTODMXCTGSS-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CC[C@@]12CCC[C@@H]1C2	2061618169	SYISIVPAAQIVEK-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C1CC(=C2CC2)C1	2061730820	MSLFSNPYYFELOL-CYBMUJFWSA-N	244.378	4.583	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC1(N)C[C@H]2CCCCC[C@@H]2C1	2062654437	ZYRBAEITJQKIIS-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)CC12CCC(CC1)CC2	2068276852	UWPRIASHGMTZBW-HTUOJYHCSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccccc1[C@H](N)C[C@H](C)C(C)C	2068843415	RSASLRGIAPXOCL-WMLDXEAASA-N	247.426	4.567	0	10	BJAE	
CCCC1(C[C@@H]2CCNc3ccccc32)CCC1	2069342322	NNZYOTCRLYXKCP-AWEZNQCLSA-N	243.394	4.946	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CCC[C@H]3C[C@H]32)CC1	2072805924	HCOKKUNRERNHPX-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@@]2(C)CC=CCC2)CC1	2072821203	KRLZQBXSSQFUHZ-GQGLESIBSA-N	249.442	4.667	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@H]1CC[C@H](C)CC1	2072880233	ZJSKNEIKTYRYCG-QEWYBTABSA-N	248.410	4.764	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccccc1OCC	2073348607	ZCYDMRRTHJFVFT-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CCCN[C@H](C[C@@]12CCCC[C@@H]1C2)C1CCCC1	2074031115	XANQKNMFJDKIGW-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
NC1(C[C@@]23CCCC[C@H]2C3)CCCCCCCC1	2074032895	HZVZBJYPTRGLAC-HOTGVXAUSA-N	249.442	4.789	0	10	BJAE	
CCCC1(C[C@@H](NC)C2CCC3(CC2)CC3)CC1	2074650053	ZTDFJCICQOFCKF-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCCN(Cc1c(C)cccc1C)[C@@H](C)CC	2074919330	RUDBRTSGKGBOMK-INIZCTEOSA-N	247.426	4.704	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCCCC2)CC[C@@H](C)C1	2075364000	USTGEVZGUAZTJY-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC1(C)C[C@](C)(CCC2CCC3(CC2)CC3)CN1	2078857665	NWDXIOHXVIIOMX-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1	2079519097	MELCSTYAAZMWDN-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@H]1C[C@@H]1C1CCCC1	2079852996	TWPUITWOOAAWJG-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(C)c1NC[C@H]1C[C@H]1C(C)(C)C	2080028794	VQVKWFSSOSZOEF-HUUCEWRRSA-N	245.410	4.652	0	10	BJAE	
CCc1cc(F)ccc1NC[C@@H]1C=CCCCC1	2081955697	AAJNFMQBILCYRB-CYBMUJFWSA-N	247.357	4.546	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCCCC2)c(F)c1C	2083347519	TVKHFGWVYMRTGZ-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CC(C)CC[C@H](N)CC1CC2(C1)CC1(CCC1)C2	2083615775	PVCDSZWGKRYADH-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C)(C)C=C1CCCNC12CCCCC2	2083813761	HACLMETYHGDHJJ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C[C@H]2CCCNC23CCCCC3)C1	2083815439	FSZIZGXYDKPQMX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)CCCCCCC1CC1	2210526351	DAWFWFIMRXCEIO-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C[C@@H](N)CCCCC1CC1)C(C)(C)C	2214566066	SDEFSQZVAGNJHV-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)CCCCC1CC1	2214566312	VKGCMACGKUHPCX-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CC1(C)CC(C)(C)C1	2215397371	CBOXIEJVWHLOLI-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CC1(C)CC(C)(C)C1	2215401902	RVNQWMGHLDAXIC-BBRMVZONSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H](C)CNCCCCCCCC1CC1	2216874840	RKZICKCVUXXIOT-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
O[C@@]1(CCCCCCCC2CC2)C=CCCC1	2216900348	OKYCGLLMKKXPDV-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@]1(CN[C@H](C)CC)CC=C(C)CC1	2217127681	DXVVEAVQBOSTTB-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)NCC1(CCCC(C)C)CCCC1	2217149575	IXXJGDKJKONPRN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](NC2CCC3(CC2)CC3)C1	2218036926	KPZAEPDJMCNFAG-CTYIDZIISA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1CC)[C@]1(C)C=CCCC1	2220878125	QIHTVNWTULVOGC-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@H]1C)CC1=CCCCC1	2220932881	OQOAMSKUKGDVGF-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@@H](NC)C2(C)CC3(CCC3)C2)CC1	2220998913	DFLWNJMDIXSDSQ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CC(=O)CC(C2CC2)C2CC2)C1	2221083030	FPMUNALSPBYAQS-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCC1)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222935066	WUDPQVSCOLXAMF-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@@](N)(CCCCCCCC2CC2)CCC1	2223108131	INJGTIKZPWHWMJ-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
C(CCCN[C@H]1CCC12CCC2)CCCC1CC1	2223156404	ACJKMHFYPAQEHQ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H](C)[C@@H](CN[C@H](C)CC)c1ccccc1	2223546295	JYRAXUZAMSNDJG-ZMSDIMECSA-N	247.426	4.595	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H](C)C(C)C)s1	2242604354	BLYSMDFOBWKXLW-NSHDSACASA-N	238.396	4.566	0	10	BJAE	
c1cc(NCC[C@@H]2CCCCC23CC3)cs1	2242757724	NZVHYGDGMOSEJD-LBPRGKRZSA-N	235.396	4.521	0	10	BJAE	
CCCCCC(=O)CC[C@H]1CCC[C@H](C)C1	2242762109	JBVFMSWVWMOBOO-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](N)CCC[C@@H]1CCC[C@H](C)C1	2242764417	XFEPFUBXMMJXQM-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@H]2CC[C@@H](C)CC2=O)C1	2246696375	WYRXCYUMBUMQSG-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCC1(C(=O)CCCC[C@H]2C[C@H]2C)CCCC1	2247174970	HQXLIWGSBXABKS-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@@](C)(N)CC[C@@H]1CCCC12CC2	2247601803	MMNDKPLOVJDECO-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC1CCC(C)(C)CC1	2250355398	AVWURKCUAZUKPR-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)CC(C)(C)F	2250467435	QUORXVHLNHXGIH-CQSZACIVSA-N	245.426	4.519	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(O)C1CCC1	2250494154	UYIUFGKPCUZDIN-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCC1CC(C)C1	2251770337	HJAUKCTUAJXZES-CVSAEHQPSA-N	236.399	4.598	0	10	BJAE	
CNC[C@]1(CC[C@H]2CCC[C@H](C)C2)C=CCCC1	2253939893	WKMIDQUAZNKPJJ-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc(NCC2CC3(CCCC3)C2)cc1	2254084886	VLGJGUIKMGULRZ-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
CC1(C)CC[C@@](C)(NCC2CC3(CCCC3)C2)C1	2254086840	ZQSSPDKWOVOREB-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
O[C@H](CC1=CCCCC1)CC1CC2(CCCC2)C1	2254123301	IKDHSWYFSKTMPZ-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2CCC23CCC3)CC1	2255021548	DBFRMAMZJRARJH-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@](N)(CC[C@H]2CCCC23CC3)C1	2255223026	FPWIFMDFCOFLOQ-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)CC[C@H]1CCCC12CC2	2255254993	ZWNPYSGQHKOVQG-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](Nc1ccc(C2CC2)cc1)[C@H]1CC12CCC2	2256446858	YLQHXAZUMQXUHI-MLGOLLRUSA-N	241.378	4.555	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H](C(C)C)C2)cc(C)c1C	2258233749	RIQDWDJMCYILAH-JKSUJKDBSA-N	245.410	4.848	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CCC=Cc1ccccc1	2259438114	OGYPYBLONWXCKS-IRXDYDNUSA-N	246.394	4.667	0	10	BJAE	
CC1CC2(C1)CC(C[C@](C)(N)C1CCCCC1)C2	2259572305	QMUQEUVRWGVMFU-XRFBTWBJSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)ccc1NC[C@@]12CCCC[C@H]1CC2	2260623728	NZUSWAWVWZCQIB-BBRMVZONSA-N	247.357	4.516	0	10	BJAE	
CCC[C@H](NC[C@@]12CCCC[C@@H]1CC2)C1CCC1	2260625950	SSENWRBVPMXLLF-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@]12CCC[C@H]1CC2	2260644926	DVOQNWKDTJOYKS-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)CC1CC([C@H](N)CC2=CCCCC2)C1	2261202799	OBPLPMCLQPTMBM-UYSNPLJNSA-N	249.442	4.667	0	10	BJAE	
C[C@H](N[C@H]1CC(C)(C)CCC1(C)C)c1ccoc1	2261402801	OPWUYAZFLQICQG-JSGCOSHPSA-N	249.398	4.535	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@]12CCCC[C@@H]1CC2	2298723374	DMEGENIIEJHULO-PMPSAXMXSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(N)CCCC(C)C)C1	2300498139	XQVPXFGSQBVHGY-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CC(=CC[C@]1(N)CCC[C@@H]1C)CCCC(C)C	2300887346	HDNSRIUWNFMNNW-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](CC=C(C)CC)C1	2300900869	CJICAUZSYKBANS-PMPSAXMXSA-N	237.431	4.524	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)[C@H](N)C1CCCCCCC1	2301824211	AZBBQVITIKSOMW-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@@H](C)[C@H](C)C(C)C	2301868397	YYBJFUGVCFSWMZ-QXSJWSMHSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N[C@H](C)C1CCCCCC1	2301961766	NMRAPYKNQLTTCT-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CC1(CCCC(=O)[C@H]2CC[C@H]2C(C)(C)C)CC1	2303396933	CZANJERUXIUJNR-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H]1CC[C@H]1C(C)(C)C	2303443001	QIOWXAGIPJPDPK-BFHYXJOUSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@@H]1CC[C@@H]1C(C)(C)C	2303471431	LWUFADKSDLSMQG-ZQDZILKHSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@H](CSc2ccc(O)cc2)CC1	2303575158	HFPOAVFBHFUJSZ-CYBMUJFWSA-N	248.391	4.621	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@@H]1CCC[C@@H](C)C1	2306829860	BLEUCZBHIPLWOO-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC1(N)CC2(CCCCC2)C1	2307827751	BGWOMGOLKGFOEN-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](CC)CC(O)(CC1CC1)CC1CC1	2307846919	WDBDCBJTLNRSSG-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)[C@@H]2C[C@H]2C(C)C)cc1	2311503030	XUOZIRFPRUWNPJ-VJUNAUMWSA-N	246.394	4.526	0	10	BJAE	
CCCCCc1ccc(NC2[C@@H](C)C[C@@H]2C)cc1	2316593410	WOCGFWYBVOJZIQ-KBPBESRZSA-N	245.410	4.876	0	10	BJAE	
CCN[C@H](CC)CCC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317148815	PQAXTMFFZCRDBV-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC(=O)CCC(C)(C)Cc1ccccc1	2317282398	BGHDVOFNBYEFPX-UHFFFAOYSA-N	246.394	4.651	0	10	BJAE	
COc1c(C)cc(N[C@H](C)CC(C)(C)C)cc1C	2317367495	BILQXGVQSFAJJN-CYBMUJFWSA-N	249.398	4.549	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@H](C)[C@@H](C)C(C)C	2317824268	OZVPBKNEIYLAJG-JJRVBVJISA-N	247.426	4.738	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H]1c2ccccc2NC[C@@H]1C	2317950388	IVGWJLUGNDBHJT-AYMQEEERSA-N	245.410	4.760	0	10	BJAE	
CC(C)C[C@H]1CC[C@H]1NCCCC1=CCCCC1	2318532403	XVQKKQOCAHXPDM-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC=CCN(CCCC2=CCCCC2)C1	2318592430	JBMBMKJWBGRTDD-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
CCC1([C@H](CCCC2=CCCCC2)NC)CCC1	2318593078	PRDAFRQTRHAWPV-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)CC[C@@H]1C[C@@H]1C	2318597827	NZMYLEJAGFPTSH-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)CCCCC1CC1	2318875968	MTDRBJDMHVVYRP-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CC[C@@H]3CCCC[C@H]3N2)C1	2319127676	BUFKTVFGIDOJGB-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)C1)[C@H](N)c1ccccc1	2319314110	SLTAQGBKHIBPEI-YCPHGPKFSA-N	245.410	4.539	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C[C@@H]2C[C@H]2CC)cc1	2320330953	MVTIQNQZLOEZJP-UWWPHRKUSA-N	245.410	4.636	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(O)CCCC3(CC3)C2)CC1	2320339649	GGRUFBQUSFJYLO-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C23CCC(CC2)C3)CC1	2320419253	HKKUJZKRKBRMIA-ISXOHVOVSA-N	246.394	4.662	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)Cc1cccc(C(C)C)c1	2320625680	ATZRCTJTJLPHJY-RDJZCZTQSA-N	248.410	4.540	0	10	BJAE	
C[C@H]1C(=C2CCC(C(C)(C)C)CC2)CCN[C@@H]1C	2321305003	NNIVTEJYHYTQPZ-HCYNLOQUSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@]2(C)CC2(C)C)c1	2327678320	SYKACYODKSXRJU-WBVHZDCISA-N	246.394	4.588	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)CC2CC(C)C2)c1	2327787501	WJXNOZNYOVMWPQ-UHFFFAOYSA-N	244.378	4.737	0	10	BJAE	
CC(C)CCC[C@H](C)NC1[C@@H](C)CCC[C@@H]1C	19231954	FTTHFEJRJMZCLK-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCC1CCC(N[C@H]2CCCC[C@@H]2CC)CC1	35257204	DZGXJRLDVXYPAC-GRAKBVBRSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@@H]1C[C@H](c2ccccc2)CCC1=O	44468973	CIAKSJKHEWEKQB-HZPDHXFCSA-N	244.378	4.576	0	10	BJAE	
C1=C(c2csc3ccccc23)CCCC1	70632469	MDZXESLJYSSYDA-UHFFFAOYSA-N	214.333	4.859	0	10	BJAE	
CCC[C@@H](C)CNc1ccccc1SCC	71104739	JMNZXCWNRUARSI-GFCCVEGCSA-N	237.412	4.647	0	10	BJAE	
C[C@@H]1CC[C@H](NC2CCCCCCC2)[C@H](C)C1	78462359	KAFGSGLFTFIQMM-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CC1(O)CCC(C)(C)CC1	79657284	GTHKBYBWVDWISU-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H](C)c2ccccc2)CC1	86893332	DTYJUUNDKXAHJX-ZOBUZTSGSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cccc(F)c2)CC1	86893819	DQDFYWPQHARDEW-OCCSQVGLSA-N	235.346	4.597	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCCC(C)(C)CC1	86909292	NUGXRDRYNDVKSQ-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CC)CCCCCN1	91874387	WJHMMHAZTLXFHJ-CVEARBPZSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)c1ccccc1C	103935324	HZARSVKJEBYHBA-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@H](C)CC[C@H](C)N	107600003	GWKWKGRWTCFKAN-OCCSQVGLSA-N	247.426	4.523	0	10	BJAE	
CCCC[C@H](CC)CCC(=O)c1ccccc1	109653924	OAEGIHWZNMPCAG-AWEZNQCLSA-N	232.367	4.866	0	10	BJAE	
CC(C)C[C@@H](CCC(C)(C)C)CNC(C)(C)C	110183855	JPOPCJKYBIWCKK-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCC1CCC([C@](C)(O)C2CCCCC2)CC1	122079915	ISUAZOLOTXLKGL-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](NC1CCC(C(C)(C)C)CC1)C(C)(C)C	122626742	PINUDDYTTKDMQM-IYXRBSQSSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)CCC1CCCCC1	126008951	WZZBLDQRZQPQMZ-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(-c2nc(C(C)(C)C)cs2)cc1F	131926385	WMXRNZZXBNATSA-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CCCN[C@H](C(CCC)CCC)[C@H](C)CC	132849941	YFBRZESQYRKTJX-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](Nc1ccccc1C)c1cccc(F)c1	166415945	RKXBZMXZCUFSCV-OAHLLOKOSA-N	243.325	4.697	0	10	BJAE	
c1cc(C2CCC2)ccc1-c1ccc2c(c1)NCC2	168953603	SPGWROAJWSCRHJ-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
C[C@H](C[C@H](N)C1=CCCCCC1)CC(C)(C)C	203419714	QKPHUEJMHFSZIX-HIFRSBDPSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](C)c1ccc(CC)cc1	212641029	CXONAJJKGAMSCC-WMLDXEAASA-N	247.426	4.521	0	10	BJAE	
CCCCC[C@H](C)Nc1c(F)ccc(C)c1F	214859774	UBIJTGSORVGXLP-NSHDSACASA-N	241.325	4.654	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)[C@@H](C)CC	228807293	CIZINJZNXPPHGX-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C1(O)CCC(C(C)(C)CC)CC1	233327526	NVZMKLXIZKUDRS-HLIUYOAVSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CNc2ccccc2C1	300115084	BLVHDGFMOILQMM-GJZGRUSLSA-N	245.410	4.877	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](c2cccc3c2NCCC3)C1	300115991	LAXJKKKUVXUWDP-NHAGDIPZSA-N	243.394	4.584	0	10	BJAE	
CSc1c(S)cc2ccsc2c1Cl	307124745	SAVZGMIVHGFTSR-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
c1cc(N[C@@H]2CCCCC23CCCC3)cs1	309213640	FBJYUSFOXITJJB-CYBMUJFWSA-N	235.396	4.663	0	10	BJAE	
CC(C)CNC[C@H](C[C@H](C)CC(C)C)C(C)C	309991842	CSAVRNQXZMTGIK-CVEARBPZSA-N	241.463	4.577	0	10	BJAE	
CCC1(CC(=O)c2c(C)cc(C)cc2C)CCC1	311106690	QYAYPKMHMAQKGC-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CC[C@@](C)(CNC(C)C)C[C@H](C)c1ccccc1	317679360	XKXJTMBALWRZCJ-DOTOQJQBSA-N	247.426	4.595	0	10	BJAE	
CCC(CC)[C@@]1(CNC(C)(C)C)CC[C@H](C)C1	317846876	NODDXDJSOLAPPH-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@H](CC)[C@@H]1C[C@H]1C)c1ccccc1	322162709	KHLYIIBJJSETEE-DZUCGIPZSA-N	245.410	4.552	0	10	BJAE	
CCCCCCC(=O)c1csc(Cl)c1	378985592	RNCRJUQMBCDDHL-UHFFFAOYSA-N	230.760	4.555	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)CCC2CCCC2)C1	379998465	WYXNWFYCYOGRGC-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
COc1ccc2c(ccn2C2CCCCCC2)c1	380537963	QCLOOWBFEBCXDY-UHFFFAOYSA-N	243.350	4.545	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1CCC[C@@H](C)C1	381097105	WXHLYOZISUWTDJ-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CN[C@H](CCCCCC(C)C)CC(C)(C)C	383150862	OJMNVLGMXFIBDR-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C(C)(C)C(C)(C)C)C1	383899529	WFMWJAZUAXGQHH-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCCNC[C@@H]1CCC[C@H]1CCC1=CCCCC1	384931712	IKZZHNWJNSEPQD-IRXDYDNUSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H](N[C@H](C)CC(C)(C)C)C1CCCCC1	385202997	RACNNZCDVBXYJD-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
CCc1ccccc1C(=O)CCC1=CCCCC1	385846278	WSLZSHAPIIVYFI-UHFFFAOYSA-N	242.362	4.712	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@H]1CC2CCC1CC2	385858954	ZCORAOYVUKWINE-GPANFISMSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CC3CCC2CC3)c1	394314056	BFKZGCCSTNRYGQ-YIZWMMSDSA-N	249.785	4.639	0	10	BJAE	
CSc1ccccc1NC[C@H]1CCCC[C@H]1C	394877516	GBOCZLLGQGFZAA-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
CCC1CCC(CNC)(C[C@@H]2CC=CCC2)CC1	402146108	MLEXVILIJWYANL-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@H]1CC[C@@H](CC)C1	402167024	SAPXTOZLKWVRSU-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CC2	402321780	NAMMPFROANTHID-OTRWWLKZSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)C[C@H](C)CC	688376219	YDBOBPLOQIPFKL-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@@H](CC)CC(F)F	688868117	MFLREWFEZDLTGC-NEPJUHHUSA-N	248.357	4.699	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C2(C)CCCCC2)c1	688898954	KPWOJLFXQXITAC-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CC(C)CNCC[C@H](C)c1cccc(C(C)C)c1	688970041	CIAPSVDHTPASOH-HNNXBMFYSA-N	247.426	4.549	0	10	BJAE	
CCC[C@@H](Nc1cccc(C2CCC2)c1)C1CC1	690122406	RZRWAGUGEYLRSU-QGZVFWFLSA-N	243.394	4.945	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCCCC[C@@H]1CC	691107885	WCEZOMKOAJUREQ-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@@H]1CCCC[C@H]1C	691996925	AMYAGSDJTGYSGP-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
Clc1cccc(Cl)c1CCC1CC=CC1	692103790	UHAJRAMSKAUFEK-UHFFFAOYSA-N	241.161	4.892	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H](C)C1CCC1	692678327	MPTZXVAOQPQGJP-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC12CCCC2)C1CCCCC1	694332030	QYEKMMGZQIFRNX-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CC1CCC(CCNC2CCC3(CC2)CC3)CC1	695978951	ZOGIOODBOCPNEO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C(C)(C)C)C(C)(CC)CC	701189958	ATWYWEYDOYALMD-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1ccccc1C(C)(C)C	701230775	IUCNIULIFDQRGK-OAHLLOKOSA-N	247.426	4.810	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCC(F)(F)C1	702565996	QZFQUOCSQYAKOI-STQMWFEESA-N	247.373	4.513	0	10	BJAE	
CCCN[C@H](c1coc(C)c1)C1(CC)CCCC1	706389621	PDWMFZUVRYXXKW-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NCC[C@@H]2CC=CCC2)C1	706867306	GWTOGLIXNFUNFJ-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@@H](C)CC(C)(C)C	708256869	VYAJAFRAGVYCHF-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CNC1CCC(C)(C)CC1)CC(C)(C)C	709124119	LQNXKYXAJJCGPR-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)CC(C)(C)C[C@H]1C	709165711	MUCLZAWSEARJAP-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C)CNc1cccc(C2CC2)c1	709668901	KNWLAJBEGTVARQ-CYBMUJFWSA-N	231.383	4.658	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC[C@@H]1CCCC2(CC2)C1	709976198	NUAUFGBMNCGGOO-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1csc(C)c1	710699181	VFOPYEGBMGYSFN-ZYHUDNBSSA-N	225.401	4.683	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)CC(C)(C)C(C)C	713170702	VLXXWBCYCRHZCQ-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)CC(C)(C)C1CC1	713240909	FAXOASJMWWAUQO-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC([C@@H](N)c2cc(C)co2)CC1	716146525	GDOIPHDCTPHQBV-ZBCRRDGASA-N	249.398	4.584	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CCC[C@H]1C	718540301	PCEKOENPPCCGAO-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCn1ccc2cc(F)ccc21	718555911	CQMWFFJBUCODTP-UHFFFAOYSA-N	231.314	4.527	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2C[C@H]2CC)cc1	723148247	HKKCYIXNNDITSQ-GUTXKFCHSA-N	232.367	4.625	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCC(F)(F)C1	1258755068	CNRJQCFFKWGXGZ-QWHCGFSZSA-N	247.373	4.513	0	10	BJAE	
C=C/C=C/CCSC1CCC(C)(C)CC1	1473016618	ARDBKZHECZLTSI-AATRIKPKSA-N	224.413	4.821	0	10	BJAE	
CC(C)(C)C[C@H]1CCN([C@@H]2C=CCCCCC2)C1	1559915173	HEXOTXRIAAJRIZ-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CCCCCN(Cc1ccccc1CC)C(C)C	1657224108	KYJXIMDHLMDKFC-UHFFFAOYSA-N	247.426	4.650	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@H](C)C(C)(C)C	1900584687	XEYLHKBPXQAGAX-HIFRSBDPSA-N	228.420	4.636	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cccc(Cl)c1	1900699252	ZBTPHKLGMXNYNG-CQSZACIVSA-N	239.790	4.556	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)c1cccs1	1900856892	CZMTUXVIHCIUSE-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
CCc1cscc1NC[C@@H]1CCCC[C@H]1C	1902381350	MLDBZKHANVUJNS-YPMHNXCESA-N	237.412	4.549	0	10	BJAE	
CCCC[C@@](C)(CNC)C[C@@H](CC)CCC	1905308622	STXOZZKPQGOGIU-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CCCCCC1CC(N)(CCC[C@@H]2C[C@H]2C)C1	1908556492	VYKJKMXJJJGWSV-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC1(N)CCCCCCCC1	1910816290	MNMBGYFKPPGXDT-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
C=CC=CCCC(=O)C1(CC(C)C)CCCC1	1911778456	OJXGKYRYKVMPEG-UHFFFAOYSA-N	234.383	4.684	0	10	BJAE	
CN[C@H](CCC=Cc1ccccc1)CC(C)(C)C	1912047848	QDTXKVAAVITFCA-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
CCC1CCC([C@@H](N)C2CC3(CCCC3)C2)CC1	1912643636	BEGAZXGUFAAVHE-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NC[C@]1(C2CCCCCC2)C=CCC1	1916338533	XQPUEAIODPRAAW-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CCC1CCCC1	1919945249	BRJVEDVSUBCJLE-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)CCCC(C)(C)C	1919962769	VZFZOGIDLAYFNJ-HNNXBMFYSA-N	228.420	4.924	0	10	BJAE	
CCCC1CC(C(=O)c2ccc(C3CC3)s2)C1	1921278875	MPKDBPGDBYLFDC-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CC(C)CCCCC[C@H](N)C1CC(C(C)C)C1	1921288386	WIBMZEGSGUZJCJ-GPANFISMSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(CN)C1CCCC1	1924073721	XKAMFXXFKFRCHD-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H](C)C1CCCC1	1924099310	RANIXEOFGWKXRV-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
Fc1ccc(C[C@H]2C=CCCCC2)cc1Cl	1925857302	OLAVQTTUBDLILV-NSHDSACASA-N	238.733	4.768	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)C[C@H]1C=CCCC1	1927027397	REYAWCJYCBHARA-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CC(F)(F)CCCC[C@H]1C=CCCC1	1932602662	WRHCILMBZWZVEN-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
C[C@H]1CCC[C@@](O)(CC2(C)CCCCC2)CC1	1940406504	GRYWODHEMQXNRE-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)CC1(C)CCCCC1	1940409591	ORFOXOQGNAZTRZ-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC1CCC(CC(=O)CC[C@H]2CC2(C)C)CC1	1940853908	SJRUNEIGLRIWLD-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](O)C1CCCCCC1	1941242449	CLDGSLRXNMJWPU-JKSUJKDBSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CCC(C)(C)CC)NC	1941268866	KHCGEBJCSNYRJW-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1[C@H](C)CCC(C)C	1942662304	XFQTUKGKNOIJOR-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C(C)(C)C1CCCCC1	1944642232	PFLJXHGFECXPGV-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)CC1CCCCCC1	1944795600	UQJOEPPBPKJEJK-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1C=CCC1)NCCC	1947576011	LDNQBPWRWNNJGG-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCCC)C1CC(C)C1	1948155070	IFCHJOSHBOBBAR-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC1(CC)CCC1	1948981507	UGVOHJZEFSIGKY-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@](C)(N)CC[C@@H]1C[C@@H]1C1CC1	1949011959	RBEMAYKKUZIZDA-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(CCC(C)=C(C)C)C1CCCC1	1949046691	HOANXSZMVGUBRH-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCc1cccc2ccn([C@H]3CC[C@@H](C)C3)c12	1949497755	KZHXWXVNYKAXPZ-DOMZBBRYSA-N	227.351	4.565	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)[C@@H](O)C1)CC(C)(C)C	1949677573	JAEMCRIGJBYHFC-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CC[C@]1(CNCC(C)C)CCCC(C)(C)CC1	1950923831	VXEMZTOCZYHLEY-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC)CCC[C@H](C)CC1	1950929860	KOUFWBAJWQPSMF-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@@H](CNc2cccc(Cl)c2)C1	1968260447	PVDXXLGHOQKQJA-LLVKDONJSA-N	237.774	4.578	0	10	BJAE	
Cc1cc(F)ccc1NCC[C@H]1CCC[C@@H](C)C1	1968366781	MXPDTLYNMLMTJA-TZMCWYRMSA-N	249.373	4.762	0	10	BJAE	
CC[C@H](Nc1ccc(F)c(C)c1)c1occc1C	1968591272	GMRGROMSFJWPPA-AWEZNQCLSA-N	247.313	4.599	0	10	BJAE	
CC1CCC(CN[C@@H]2CCCC3(CCC3)C2)CC1	1969004538	CHEIFZACMTWNNU-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)CN(C)[C@H]1CCCCC1(C)C	1970180767	JIXBYKRMDTWYNQ-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC1CCC(C)(c2ncc(C(C)C)s2)CC1	1983316112	JGHWDNDPELVKOT-UHFFFAOYSA-N	237.412	4.734	0	10	BJAE	
C/C=C/CCCC[C@@H](CC(C)C)NCCC	1984633630	YMOHCXAETUGPHL-ZKKXHLJNSA-N	225.420	4.537	0	10	BJAE	
Cc1cc(O[C@@H]2CCC[C@H]2C)c(C)cc1Cl	1989922787	PNFVFDJVKAZPSG-NOZJJQNGSA-N	238.758	4.524	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H]1CCCC[C@@H]1C	1990091352	MOXLQQSHRVHDGD-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCCNc1cc(Cl)c(F)cc1C	1995047068	DFIZERQPMBXQNS-UHFFFAOYSA-N	241.737	4.556	0	10	BJAE	
CC1CCC([C@](C)(O)C2(C)CCCCC2)CC1	1995992520	ZCIHVWCGBDDGTF-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@H]1CC[C@H](C)C1	1996265453	ABAPRIUEZZPUAF-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CCC(C)(C)C)CC1	1997114371	DWPWJGSOJGEIKP-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@@]1(C)CC=CCC1	1997547070	SRXKCQHGAXRZDL-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
OC1(C[C@H]2CCC=CCCC2)CCCCCC1	2000001331	LERVBMJYMCYZRC-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CCCC(C)(C)C1	2000050304	FMHPVLCWDRKLGP-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2=CCCCC2)C1	2000099545	MYWHIVXTICBJIP-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)c1ccccc1Cl	2000292631	FBWFSOYMPVJSCS-FZMZJTMJSA-N	248.753	4.515	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@]1(C)CC=CCC1	2001693470	HUWGJRFTOUUCNP-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C(CC)(CC)CC	2002510753	CIRWWOQXQJNTKL-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)[C@H]1CCCC(C)(C)C1	2002980847	ZUPYVFCEOUVOQN-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(Cl)nc(-c2cccc(C3CC3)c2)c1	2003079417	UFFHQYHMWORQNI-UHFFFAOYSA-N	243.737	4.588	0	10	BJAE	
CN[C@H]1CCCCCC[C@H]1CCCC(C)(C)C	2003102739	YVWIIEMSTHIMPB-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@H]1CCCCCCC[C@@H]1N)C(C)(C)C	2003116209	HMUMGARUBKKOQO-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CCCCC1CCC(C(=O)CC=C(C)C)CC1	2004197470	OSSDEJSLLLTPBE-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CC(C)=CC[C@](C)(N)C1CCC(C(C)C)CC1	2004225100	HRHIQBKMMCEXNM-GPANFISMSA-N	237.431	4.523	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCC[C@H]2CC[C@@H]21	2004796865	DZQNNPQUTLRQML-SLEUVZQESA-N	249.785	4.639	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@@H]1CCCCC12CCC2	2005562436	BDMUJTDQDXPPLK-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1CCCC(C)=C1C	2006927876	GXLHXUKUYMNTBS-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CCCC(C)C)[C@H]1C	2006982340	SIWFQGWYFVOCRD-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H]1CCC[C@@H]1C(C)C	2007622623	NLCXNELSKRWUCW-PMPSAXMXSA-N	237.431	4.523	0	10	BJAE	
CCCCCC(C)(C)CNC1CC(C)(CC)C1	2009298955	LZXCQBAPYUUJSW-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC=CCCCN[C@H]1CCC[C@@H](C(C)C)CC1	2009591308	HXYKRULSRROUFX-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCC[C@@H]1CNCCC	2009611431	LPMMYXFIGOOCNB-BYQDXSGLSA-N	237.431	4.539	0	10	BJAE	
C=C=CCCC[C@@H](NCC)c1cccc(Cl)c1	2010994966	KYYKUPXKEBOJEF-OAHLLOKOSA-N	249.785	4.502	0	10	BJAE	
CCCNC[C@@](CC)(CCC1(C)CC1)C(C)C	2012412517	OVZLHADWFUCLPY-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)CCC(C)=C(C)C	2013238068	VMUZHGZNAUTKPO-MRXNPFEDSA-N	237.431	4.633	0	10	BJAE	
CCC1CCC([C@](N)(CC)CCC(C)C)CC1	2013274123	MOVCJOGMKXVUKO-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(N)C1(C)CCCC1	2014341011	VHPSTVPZMCZQFZ-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC(C(C)C)C(C)C)C[C@@H](C)CC	2015275478	QGOCAJBGUCJORH-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)(C)C)C[C@H](C)C(C)C	2015277638	INTDKIMHISTNFU-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C[C@H]1CCC(C)(C)CC1=O)C(C)C	2015388431	OQQUQOIKQXBNNQ-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CC[C@@H]1C1CCC1	2017045868	WBPYSPPKZRRMEM-IUODEOHRSA-N	249.785	4.639	0	10	BJAE	
CCCC1CCC([C@@H](NC)C(C)=C(C)C)CC1	2017485479	FJVZNLXZJKDKLB-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCCN(C)CC1CCCCC1	2019339454	BKHPSHXZBXFHFN-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C[C@H](C)C1CC1	2019683335	JRSLLDAJCAZGFR-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCCN(C1CCCC1)[C@@H](C)CCC(C)C	2020539574	QHLHWQBEERHGIG-HNNXBMFYSA-N	239.447	4.856	0	10	BJAE	
CCCCC[C@@H](CC)NCCCCC(C)(F)F	2023287397	IDJMOTYIBHKPPE-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
CCCC[C@H](C=C(C)[C@H]1CC[C@H](N)CC1)CC	2023547150	CKLYDNXHRFHVEP-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CC(C)(C)C1(C)C	2025017336	ANHSZUVKBJDBJX-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
C[C@@]1(c2nc(C3CCCC3)cs2)CC=CCC1	2026597043	JFHVWUXIVDLWBH-OAHLLOKOSA-N	247.407	4.799	0	10	BJAE	
CC1(C[C@]2(N)CCCC[C@H]2C2CC2)CCCCC1	2027308891	KHMXHLMMMMUCNC-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CC2(C)CCCCC2)c1	2027310381	ADSYBWAUYPTAQA-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1ccc(C2CC2)cc1	2028589553	AMJGWJSACKOJJX-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CCC1CCC(C(=O)CC2CCC=CCC2)CC1	2028873981	JPMQDOAXQUITSI-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CC[C@H]3C[C@@H]3CC2)C1	2028964794	NBFPEJUJXPLYSR-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c([C@](C)(O)[C@H](C)CCC(C)C)c1	2029838885	VGELOUCHIMNNCQ-NVXWUHKLSA-N	248.410	4.583	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@]12CCCC[C@@H]1CCC2	2031759705	OPLNAGQDHBVJMG-IKGGRYGDSA-N	249.442	4.811	0	10	BJAE	
CC1(CCN[C@@H]2CC[C@H]3CCC[C@@H]32)CCCCC1	2033212840	QBHUMVOOWDAPJE-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)[C@@H]2CCC2(C)C)cc1	2033557375	IHLXSJDBVCCJIE-AWEZNQCLSA-N	244.378	4.603	0	10	BJAE	
CC[C@@H](CC1CC1)NC1CC(C2CCCCC2)C1	2033832050	ZHXURPNFUWHZNH-CGZBRXJRSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CC[C@H]2CCCC[C@H]21	2034262852	KVUREFADAXHQEO-BPLDGKMQSA-N	247.357	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)C1CC(C)(C)C1	2035576492	PZBIQCMSHRZJCF-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@H](Nc1cccc(F)c1)C2	2036669326	WTFGLWCMLZFDKU-UHOFOFEASA-N	247.357	4.597	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CC12CCCCC2	2039000630	UERSDCOPKALUKZ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1([C@](C)(N)CC2CCC=CCC2)CCCCC1	2039850509	UOTQAZILWMBJMR-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
C[C@](N)(CCC1CCCCC1)C12CCC(CC1)C2	2039872518	NNDNBUGGNYKULJ-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
CCNC[C@]1([C@@H]2CCCC[C@H]2CC)CC=CCC1	2042086950	LRFXDJSJGJLGIA-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC3(CCC3)C2)c(C)c1	2043615445	NAZVJIRWWICVMR-OAHLLOKOSA-N	243.394	4.747	0	10	BJAE	
CC(C)CCN(C[C@H]1CCC=CCCC1)C1CC1	2046555212	NNFGOBJNWGAOKD-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1[C@@H]1CC[C@@H]2C[C@H]2C1	2047345328	FRWOMCJDVSXSAI-LVQVYYBASA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@H]1CCC12CCC2	2047961709	KLTHOYFIHOUZFI-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)CC2[C@@H]3CCCCC[C@@H]23)CCCC1	2049789088	SAMDWZCHRSYCHV-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)CC1(C)CCCC1	2049790282	HAOBLLBODDMJKP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@]1(C)C=CCCC1	2050009042	LANSEPDVNLNHKR-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCNC[C@]1(C2CCCCCC2)CCCC12CC2	2053354945	HMZFLLIAFHKLMZ-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)C1CC(CNc2ccc(CF)cc2)C1	2055635840	KAJDZPZQLUGADG-UHFFFAOYSA-N	249.373	4.640	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)C1(C)CCC2(CC2)CC1	2056538603	YGBOUFZTHNKMBX-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C1CC(C2CCC2)C1	2056677925	RYUHKZWJQVGTLX-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](NCC1(C2CC2)CCCC1)C1CCCC1	2057649789	YERPDZKQTLJKBK-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@H](O)c2cccc(C(C)(C)C)c2)CC1	2059171743	KFKJAIPQALAIII-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CC=CCCC[C@@H](O)c1ccccc1C(C)(C)C	2059223647	PVQAAOVQVIEQTE-MRXNPFEDSA-N	246.394	4.764	0	10	BJAE	
CCCC1CC(Nc2cccc3c2CCCC3)C1	2059389770	GLWRWTQMHAOEAS-UHFFFAOYSA-N	243.394	4.556	0	10	BJAE	
C[C@@H]1CC=C([C@@]2(N)CCCC23CCCCC3)CC1	2060905979	NHOFLOVAVWBQOK-PBHICJAKSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C1=CC[C@@H](C)CC1	2060925197	JJHPKQZJSBDGDZ-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C1=CC[C@@H](C(C)(C)C)CC1)C1CCCC1	2061096010	RBQAIUDNAOAHEH-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C(C2(N)CCC(C)(CC)CC2)CC1	2061115407	HGSUSBWWSIDQDM-OOHWJJMZSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC2CC(=C3CC3)C2)CC1	2061223035	SHIPVJFQGRMJHP-CZUORRHYSA-N	247.426	4.578	0	10	BJAE	
Cc1cccc(C(=O)CCC[C@@]23CCC[C@H]2C3)c1	2061596980	PFOZZHWWXMCKTD-DOTOQJQBSA-N	242.362	4.538	0	10	BJAE	
CC=CCCCN[C@@H](CC(C)C)c1ccccc1	2062372419	RQNJZJZTLZJHQE-KRWDZBQOSA-N	245.410	4.720	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063525006	QVOWWNPAGDHWSF-LVQVYYBASA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC2=CCCC2)CC(C)(C)C1	2063643849	WWRIKBPJVRBGDJ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@](CC)(CC1CC(=C2CC2)C1)C(C)C	2064505977	HNGDVLHORFNZRX-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
O=C1CCCCCCCC[C@H]1C[C@H]1CC12CCC2	2069174985	MOUMFCBYYYUPOZ-GJZGRUSLSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)C1(CC(C)C)CC1	2069522196	UXHUPZHJFJOLOM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C[C@]12CCC[C@@H]1C2	2070972077	QRGQTJYQYISILW-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C[C@H]1C[C@H]1CC	2071505645	POMPSTFHLRBFAK-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)CCCC3(CC3)C2)CCC1	2071941478	UGUUFHKHXVRCLN-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCc1ccccc1OCC1CCC(CC)CC1	2072874541	CEJAZNBDDHPJPI-UHFFFAOYSA-N	246.394	4.844	0	10	BJAE	
CCCCC[C@@](O)(CC)c1ccc(CCC)cc1	2073343401	VKYYHCRVKQGHST-KRWDZBQOSA-N	248.410	4.817	0	10	BJAE	
CCC1(CC)CCN([C@H]2CCC23CCCCC3)C1	2075017271	SXKPTISXVQCLKJ-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CN([C@@H]1C=CCCCC1)[C@H]1CCCCCC12CC2	2075401154	KHTNKUXHMFRZMM-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1ccccc1C1CCC1	2079473325	KHFVLCJUTCLLOU-CZUORRHYSA-N	242.362	4.573	0	10	BJAE	
CC1CCC(N)(C[C@H]2C[C@@H]2C2CCCCC2)CC1	2079669271	GBKCYEJQUGJOOA-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@H]1C1CCCCC1)C1CC1	2079841955	LRNRTVDPMYSXBF-ZFWWWQNUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@H]2C[C@@H]2C2CCCC2)C1	2079859449	BMYGLGAMMPPYHA-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@@H](NC)c1cc(C)cc(C)c1C	2082918758	LDJNPPWUQLMOIH-QGZVFWFLSA-N	247.426	4.843	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@H](C)C2CCC2)c1	2082954871	XFUKPRCTBBGLCI-ZDUSSCGKSA-N	244.378	4.621	0	10	BJAE	
CCCCC[C@](C)(O)c1cccc(C(C)(C)C)c1	2083541019	GHPKJSRBMBYYDA-KRWDZBQOSA-N	248.410	4.772	0	10	BJAE	
CCC[C@@H](CN[C@@H](C)CC)CC(C)(C)CC	2212591112	ZEHAVFMGLHRWFP-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC1(C)CC[C@H]1[C@@H](N)CCCCCCC1CC1	2213576662	SNNMKDYMCSEXBV-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](O)(CCCCC1CC1)[C@@H]1CC1(C)C	2214568993	KYWDXPNDLZPZKM-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CCCCC2CC2)C1	2214586732	XJWSVIFKADVVSK-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216743939	GNSNOTFIZVLUBG-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCc1occc1C(=O)CCCCCCC1CC1	2218725930	OJWICJRVSPUXFT-UHFFFAOYSA-N	248.366	4.775	0	10	BJAE	
FCc1ccc(NC2CCC(C3CC3)CC2)cc1	2218890395	CGRSUSOTZIFUKR-UHFFFAOYSA-N	247.357	4.537	0	10	BJAE	
N[C@]1(CCCCC2CC2)CCCCC12CCCC2	2220026645	AIAFTWALAPNXSX-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCC(CC)(CC)CNc1ccnc(C(C)C)c1	2220883802	VTBKJAFUDAGONH-UHFFFAOYSA-N	248.414	4.833	0	10	BJAE	
CC1([C@@H](O)C2=CCCCCCC2)CC2(CCC2)C1	2220940518	BNHSUSLPJKLHBL-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(NC[C@@H]2CC=C(C)CC2)CC1	2221669727	ZVQHQCHCFJFCCQ-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C[C@H]2CC23CCC3)C1	2222272871	ZYLQBBULPSUBNW-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCC[C@@H]1C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222913318	FELVPIBJTZRBCV-KLHDSHLOSA-N	248.410	4.742	0	10	BJAE	
O=C1CCCC[C@@H]1C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222913325	FELVPIBJTZRBCV-QKPAOTATSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H](C)c1ccc(C)cc1	2223955476	QLSMCCZRNIQCIW-HOCLYGCPSA-N	248.410	4.676	0	10	BJAE	
CCCCCC[C@H](NC)c1cccc2ccoc12	2224192654	YCIUVPIAVDVKLE-HNNXBMFYSA-N	245.366	4.664	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC(C)(C)CN	2244843516	PYPNDBUEVNQHNG-AWEZNQCLSA-N	227.436	4.604	0	10	BJAE	
Cc1ccc(NCCCC[C@H]2C[C@H]2C)c(C)c1	2247114845	JIKVJJMGSJQLSE-HIFRSBDPSA-N	231.383	4.542	0	10	BJAE	
CCC[C@H](C)CCNCCCCC[C@H]1C[C@@H]1C	2248880493	SMMNGBYFLGYYPA-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](CC)c1ccccc1	2250378767	QBACRUSJVGBAAD-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CCC[C@H](CC)CNC[C@@H]1CCC[C@@H](C)CC1	2250381126	LCVOBSKWMXHKSJ-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](O)CC(C)(C)F	2250479810	YTEKZXFNTRFQKZ-ZIAGYGMSSA-N	246.410	4.728	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@]12CCCC[C@@H]1CC2	2251210958	HWRKGPMHJQQCGV-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(O)CC(C)(C)CCC1(C)C	2251673374	IGWBBZKGYYYJHB-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CCC1CC(C)C1	2251762380	BXMDAXXVAHCAQL-BHDPWAOGSA-N	240.431	4.780	0	10	BJAE	
CC=C(C)[C@H](C[C@H]1CCCCC12CC2)NCCC	2253791323	HJLLWADLMRRKFA-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)NCCC[C@H]1CC[C@H]1CCCCC12CC2	2253891143	UYWNIJPCNUAEEC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2c(ccn2CCCC[C@@H]2C[C@H]2C)c1	2254517979	AZBLADULSPOEBN-HUUCEWRRSA-N	241.378	4.776	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@H]2C[C@H]2C)c(C)c1	2254586042	NXOWZIRIKOGWBV-UKPHBRMFSA-N	245.410	4.520	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2CCC2(C)C)CC=CCC1	2254829964	GKNKBMPPYOHAQV-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H](C)C[C@H]2C)cc(C)c1C	2258233986	STQXOHWJUKMYKU-FABXCBLPSA-N	245.410	4.848	0	10	BJAE	
CCCCc1ccc([C@@H](N)[C@@H](CC)CCC)cc1	2259431638	VVGRUGLICQBLOM-RDJZCZTQSA-N	247.426	4.855	0	10	BJAE	
CCCCc1ccc([C@@H](N)[C@H](CC)CCC)cc1	2259431639	VVGRUGLICQBLOM-WBVHZDCISA-N	247.426	4.855	0	10	BJAE	
Cc1c(N)cc(F)cc1-c1cccc(C(C)C)c1	2259596174	NLCZXSVGQOYMMI-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
Cc1ccc2ccn(C[C@]34CCC[C@H]3CC4)c2c1	2260576780	AXHGOFGISIMYIG-DOTOQJQBSA-N	239.362	4.530	0	10	BJAE	
CCC(CC)CCNc1ccnc(C(C)(C)C)c1	2260749714	MWWLLOWHYIYNDL-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
CC[C@H](C)Cc1csc([C@H]2CCC[C@@H]3C[C@H]23)n1	2297897026	DUBCGRHSUJZLIY-XCCSTKFXSA-N	249.423	4.635	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CCC[C@H](C)CC1	2300690831	MXYXRGKAGVZXEY-BPUTZDHNSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CC1CCCCCC1	2301132814	FCCUIKMTNLPJGJ-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1CCCCCC1	2301141251	XJIREVKTEXWJSG-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@H](C)[C@@H](C)C(C)C	2301831626	FLPXIPOTWZNQRG-SQWLQELKSA-N	241.463	4.719	0	10	BJAE	
C[C@@H](NCCCC1=CCCCC1)c1ccsc1	2302314849	BOJSPJBZLLMOOI-CYBMUJFWSA-N	249.423	4.679	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@H]1CCC(C)(C)C1	2302723420	SQTAQVDERIVVED-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC[C@H]1CCC(C)=C(C)C1)NCC	2303583010	IZWXIKPCQYXGRA-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@H]1CCC[C@H](C)CC1	2303620290	YJFOUIRZUOXVAJ-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@](O)(CC)c1ccccc1	2307847494	XFLXMFMNXZRYKB-GDBMZVCRSA-N	234.383	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2C[C@@H]3CCC[C@@H]32)CC1	2308384814	ACFHPVLNJRYLAQ-ALYAQQCSSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCC[C@@H]2C[C@H]12)C1CCCCC1	2308616932	FEFHAHMQMNCDKL-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C(=O)[C@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309276228	HULCJIRDJYMEPE-NQBOGQKCSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C[C@@]23CCC[C@@H]2C3)CC1	2310884210	MOPMROZCFQJEBX-MPTYRVRUSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@@]12CCCC[C@@H]1C2	2311128564	NYYLTUHTINDQSY-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)CC[C@@H]2C[C@H]2C)cc1	2311276768	LHUOEKWXPMKLCF-BQGCOEIASA-N	245.410	4.636	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2311525668	AWXTTWJDOWNZCH-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
CC(=C(CC1CC1)CC1CC1)c1ccc(N)cc1	2313602976	FMMFWUXHYLSJSL-UHFFFAOYSA-N	241.378	4.643	0	10	BJAE	
CCC(C)=CC[C@H](O)c1ccccc1C(C)(C)C	2316504390	VTZVJYYFGFBARS-INIZCTEOSA-N	246.394	4.764	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCCCC1	2316876386	VEOPKGSJJVTOHV-OFQRWUPVSA-N	248.410	4.742	0	10	BJAE	
C[C@](N)(CCC1CC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316885298	PZAPOPVDQSNSBW-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CNC[C@@]1(CC2CCCCCC2)CCCC12CC2	2317008205	CMWWWBNLAFZDKE-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H](C)[C@H](C)C(C)C)cc1C	2317837594	XYKILPDQVGGTGK-HUUCEWRRSA-N	246.394	4.723	0	10	BJAE	
C1=C(CCCNCC2CCCCCC2)CCCC1	2318530416	AILXCMHNLGIZJO-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
Cc1cccc(C)c1NC[C@H]1CC[C@@H]1C(C)(C)C	2320319839	IWABULGUTZIQLH-CABCVRRESA-N	245.410	4.788	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCCC23CCC3)CC1	2320388509	QQKYQPOZFNLIQN-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCCN(C[C@H]2CCC(C)=C(C)C2)CC1	2320390436	KAVZGEMXVLMYQG-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@@H]2C=CCCC2(C)C)C1	2321607755	IKPOHTQRYUCLBR-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC[C@@H]1CCC(C)(C)C1)c1cccc(N)c1	2321633756	LPUUJHJCZJQMOF-ZIAGYGMSSA-N	245.410	4.979	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)C2CC(C)(C)C2)c1	2327677190	GJRAXJVDHAYUCU-INIZCTEOSA-N	246.394	4.588	0	10	BJAE	
CCC1([C@@H](N)c2cc(C)ccc2C(C)C)CCC1	2327702148	VDJXTVLUOVSMQO-INIZCTEOSA-N	245.410	4.699	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1ccc2occc2c1	2328197464	UIACXNZRYQUFHG-WFASDCNBSA-N	246.350	4.683	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)c1cc(C)ccc1C	2328283054	UHDKVPLJRWIZQM-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc([C@@H]2C[C@H]2C)o1	2328305920	DUDPLEWEOKRGRG-FRRDWIJNSA-N	248.366	4.802	0	10	BJAE	
Cc1c(C)c(C)c([C@@H](N)CC(C)(C)C)c(C)c1C	20548589	CHIZCNXJAQKRKM-HNNXBMFYSA-N	247.426	4.665	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2ccc(C)s2)c(C)c1	21512667	CEWGBNICLLOLDD-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
C[C@H]1C[C@@H](NC2CCCCCC2)CC(C)(C)C1	21520780	DALLMKUMJHLUPS-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCCCCNc1cccc2c(O)cccc12	37132274	DGKOYNWCJDLKDK-UHFFFAOYSA-N	243.350	4.538	0	10	BJAE	
CCC[C@@H](N[C@H](C)[C@@H](C)CC)c1cccs1	49541336	SGYFWOOREPIWQD-YNEHKIRRSA-N	239.428	4.614	0	10	BJAE	
C[C@H]1CC(Oc2ccccc2Cl)C[C@H](C)C1	85149893	GVSXJFSFOQYKJD-GHMZBOCLSA-N	238.758	4.544	0	10	BJAE	
CC(C)(C)CN[C@@H]1CCC[C@@H](C(C)(C)C)CC1	86957432	GIWHFHTVSXEMAG-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@H](N)C[C@@H](C)CCC)CC1	87962962	XHESOHDXNZMYIR-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@@H]1CCC[C@H](CC)C1	87989328	RWVWVDDPNCJRPQ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@@H](C=C(C)C)NCC)CC1	92116887	WXQNLNWZRDMYNF-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1CCCC[C@H]1C	94984780	UPMJMJRQJSUHQH-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)Nc1ccccc1OCC(C)C	109911307	YTBAAGKSEDMHMB-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
CC[C@H](Nc1ccc(F)cc1)c1ccccc1F	122460076	GSPRVSIKHOBFCN-HNNXBMFYSA-N	247.288	4.528	0	10	BJAE	
CCCCCCNC1CCC2(CCCC2)CC1	129234055	USLJUPLEZLWJDM-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCCc1cccc([C@@H](NCC)[C@@H](C)CCC)c1	131659963	VQUSZNXCMWXKNI-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)C2CCCCC2)C1	146218806	LIYXGDVHKLFLSF-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](N[C@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCCC1	149588255	ZOXJDKDFAQXUTQ-DZUCGIPZSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)C[C@H]1CCCC[C@H]1CNC(C)C	150088932	BRQSZHQXVDCGMH-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
C1CCC(C[C@H]2CCCC[C@@H]2CNC2CC2)CC1	155654345	QIRBCSWHVHHGMM-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](CC1CCCCCC1)NC	158423681	HFZXPQVUDXXQQR-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1(CC)CCCC1	165772075	ZGDCCEHCNQGACA-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@H](CCCC(C)C)C1	166335475	BJUMLAGMFLDZHT-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@H](CC1CCC1)c1ccc(C)c(C)c1	167138780	AFUGUHIYRWVZTQ-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
Cc1cc(C(C)(C)C)cc(C)c1[C@]1(C)CCS1	214288691	VLTNETJPHOZIED-INIZCTEOSA-N	248.435	4.953	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCCC[C@H]2C(C)C)c1	214503587	AGNVXHMGSBQTRT-DZGCQCFKSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H](NCC[C@H]1CCC[C@@H](C)C1)c1ccco1	226856745	XXALQYFOWSRINF-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@H](NCCC2=CCCC2)C1	228582089	MVCKDEHGMDDLKH-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1[C@H](N)C1(CC(C)C)CCCC1	229432351	IGQHSRQFIXQDEB-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CCc1ccc(CN[C@@H](CC)C[C@H](C)CC)cc1	233846582	ZPVIPCBKGFKGKN-PBHICJAKSA-N	247.426	4.553	0	10	BJAE	
CCc1cc(Cl)c2ccsc2c1Cl	238308318	DWRKPMICKJQIQP-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(O)CCC[C@@H](CC)C2)C1	251754832	LOBUMBXDPNEIPR-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC(CC)CC)NCC	300921926	LIKKKBCRHGMSCZ-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CN[C@@H](c1ccccc1)[C@H](C)CCCC(C)(C)C	302317754	PYXOXZFIBQICER-GDBMZVCRSA-N	247.426	4.800	0	10	BJAE	
CC(C)CCCCN[C@H](CCC(C)C)C1CC1	302485105	IAIYGQMNMWVDAG-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
Cc1oc(C)c(C(=O)CCCC(C)(C)C)c1C	304143270	JSBHFGRBFQIZPT-UHFFFAOYSA-N	236.355	4.604	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)CCCC3(C)C	307988073	RJTJZVPEJHBVLB-UHFFFAOYSA-N	241.378	4.905	0	10	BJAE	
Cc1c(Cl)ccc2sc(-c3ccco3)nc12	309363339	ZCAJGHVUBNIDSG-UHFFFAOYSA-N	249.722	4.518	0	10	BJAE	
CCCN[C@H](C)/C(C)=C/C1CCC(C)(C)CC1	310423165	OMHIIULRIORLJE-XTZCOPOCSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	310594365	NUOSVTNJEPMILJ-FOLVSLTJSA-N	241.378	4.947	0	10	BJAE	
CC(C)c1ccc([C@@](C)(O)CCC(C)(C)C)cc1	310840440	IZSFZDQNYWKBKZ-KRWDZBQOSA-N	248.410	4.844	0	10	BJAE	
CCCC1CCC(N[C@H]2CC3CCC2CC3)CC1	311137491	FFTDCOKBNGDWCR-HWBDBZLXSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)c1cc(C)oc1C	386348132	OWOQQABSMXCKGX-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC12CCCC2)c1ccsc1	392818276	ZSSKVDCTDFCWPH-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC(CC)(CC)CC	401964918	SJWXEIBYIRGLCA-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](c1nc2cc(C)cc(C)c2[nH]1)C(C)C	587955040	ITNXDPMYTWJAND-CYBMUJFWSA-N	244.382	4.719	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CCCC2CCC2)cc1	688359615	OCWSYASCAFOUSB-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1Nc1cccc(C2CC2)c1	691089989	OSLCIGYAODYQTJ-DYVFJYSZSA-N	243.394	4.945	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC[C@@H](C)CC)CC1	696162764	QFOKOVWHJWMIAT-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1csc2ccccc12	696653317	TVKKYYJERQQYMD-ZDUSSCGKSA-N	247.407	4.727	0	10	BJAE	
CCC(C)(C)CCCC[C@@H](NC)c1ccccc1	696702917	LRWMBIREPSWPOO-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCC=C(C)C)NCC	697758189	GPWACFPSPWRAIL-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CC(C)CCCCNc1cccc(Cl)c1	703967554	BCNXCQYKIVXJBP-UHFFFAOYSA-N	225.763	4.578	0	10	BJAE	
CCCC[C@@H](CCC)NCCCCC(C)C	703981034	XTSNKHATZPYEDS-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1CCCCC1	704877716	BBUQIKDQOGKADS-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CC(C)c1cccc([C@@]2(N)CCCCC[C@@H]2C)c1	704938665	GNUWOYMXLZKQQA-WMLDXEAASA-N	245.410	4.564	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1CCC[C@@H](C)C1	704980150	SSYHPIYHOHDRKG-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(O)CC2CCCCC2)C1	709756656	PEPLGSBNCRRKBF-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C1CCCCC1)C12CCC(CC1)C2	710934868	BKNRVXMBICDITF-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc([C@@H](O)C[C@@H](CC)C(C)(C)C)cc1	711212614	VLEZNOWECBVMJR-CVEARBPZSA-N	248.410	4.745	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC(C)(C)C(C)C	713127422	HOCGOUVTANWKLA-HUUCEWRRSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(N)CCC12CCCCC2	713208834	SXGPCLIEDAZOIE-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)CC(C)(C)CC	713246256	VTTFRMWIMOKCHT-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC(C)C)CCC[C@@H]1C	713345389	AKZYQUOGJXJLDJ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)c1cccc(Cl)c1	713713220	YUSWRZPMTZMRSO-YVACAVLKSA-N	249.785	4.513	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]21)C1CCCCC1	714313801	CSWROQVQSZSEBF-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CCC[C@]1(CC[C@@H]2C[C@H]2C2CC2)CCCCCN1	714770726	OJOAUJDSVURIKD-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@@H]1CC(C)(C)CC[C@H]1C	717436202	AVQUXBGGASRMOK-MGPQQGTHSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCC(C)=C(C)C)NC	718604253	ULXNOZQXGLNVRI-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CC(C)=C(C)CCC(=O)C(C)(C)C(C)(C)C	718706482	BQPXWZPRJHDPNJ-UHFFFAOYSA-N	224.388	4.764	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC1CCC(C)(C)CC1	721698896	FUMWSOBAQJODBO-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CC[C@H]2CCC[C@@H]21	722043935	IIPKUNGVUUAMQI-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCN(CC2(C)CCCC2)c2ccccc21	1560743428	QDWVIEWFUDSBMK-AWEZNQCLSA-N	243.394	4.581	0	10	BJAE	
CC[C@@H]1CCC[C@H]1CN[C@H](C)CCCC(C)C	1560837970	HIDPMIXNBZRNNI-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
C1=C[C@H](S[C@H]2CCCc3ccccc32)CCC1	1613498629	RWJOPJFHOVDXMY-HOCLYGCPSA-N	244.403	4.906	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C[C@@H](C)CC	1900698821	WZOSVDFMAOOOQJ-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Oc1ccc(Cl)cc1F	1901619240	RXEXDZOQJBXSDH-ZJUUUORDSA-N	244.737	4.539	0	10	BJAE	
CCCCCCc1c(OC)ccc(Cl)c1F	1901881867	XEAIREJSBRSAER-UHFFFAOYSA-N	244.737	4.611	0	10	BJAE	
CCc1ccc(F)c(-c2csc(C)c2)c1F	1901902352	VDAYMHQFCCIYQV-UHFFFAOYSA-N	238.302	4.564	0	10	BJAE	
CCc1cscc1N[C@H](C)[C@@H](C)CC(C)C	1902391624	VXVISNBSNDLAOV-NWDGAFQWSA-N	239.428	4.793	0	10	BJAE	
CCCC[C@H](CC)c1nc([C@@H]2C[C@@H]2C)cs1	1905259230	MFHIHYCBTWQXQS-SDDRHHMPSA-N	237.412	4.950	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccc(CC)s1	1905445594	QQUAWTULRPXCOM-WCQYABFASA-N	239.428	4.527	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@]12CCCC[C@@H]1C2	1909909733	QZJWHHUOFGXHFY-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](O)[C@H](CCC)CC(C)C	1910716508	LATKYCXJXQOGHJ-LVQVYYBASA-N	240.431	4.636	0	10	BJAE	
CC(C)NCC[C@@H](C)CCC=Cc1ccccc1	1911860633	YICDBIKXCUDSPC-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
CCCCCCN[C@H]1CCC2(CCCCC2)C1	1915853832	CPQDPVJYMBOEMS-HNNXBMFYSA-N	237.431	4.659	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CCCCC2)C1)C(C)(C)C	1915854932	MJPOQOUJCCTRNV-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)C[C@@](C)(CNC(C)C)C1CCCC1	1924074876	IJKPNEIIPIYIFA-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)CCC(C)(C)C1CC1)C1CCCC1	1924092693	NGQXFQRZSVVJMG-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H](C)C1CCCCC1	1924093348	JOBUPSZSSXGYCN-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
C1=C[C@H](Cc2ccc(C3CC3)cc2)CCCC1	1925880168	SQJPUYNAWBEFIB-AWEZNQCLSA-N	226.363	4.853	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CCCC1(C)CC1	1940877120	OXPHHFQGDNMLIV-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCNC[C@@](C)(CC)CC1CCC=CCC1	1941793917	QBLBCRWPAHNGCU-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H]1CC[C@@H](F)C1)C(C)(C)C	1945205054	CMBSHVLNSCCLKS-JHJVBQTASA-N	242.378	4.546	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H]1CCC(C)(C)C1	1945582214	LFBAPPTZABXIJE-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NC1CCC(C)(C)CC1	1947462924	DIZVFCSEQIGYBL-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
Cc1cscc1N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1947859728	QUOWUTRMJDNMIK-BTTYYORXSA-N	249.423	4.827	0	10	BJAE	
CC(C)NC[C@@H]1CC12CCCCCCCCC2	1947879446	PYEYKHRJTTTYJL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC(F)(F)CC)C(C)(C)CC	1947883364	OEJJVSIHDAXXQA-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCC1CC(C)(CC)C1	1948404560	APBGHRXBCFHVEG-JWMHWRSXSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)CC1(C)CCC1	1948971170	SUIGTEMAYNWKIV-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@@H]1CCCC(C)(C)CC1	1950913135	DWOSISPXPNNMNF-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
CC(C)CN(CC(C)C)C[C@H](C)CC(C)(C)C	1968225665	QGVDUOGEVJDNJE-OAHLLOKOSA-N	241.463	4.673	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1968271972	ZCVSPBZURMRAAN-VIKVFOODSA-N	246.394	4.755	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@@H]2CC[C@H](F)C2)cc1	1968276308	ZFSKSXILGWLDCS-OCCSQVGLSA-N	249.373	4.534	0	10	BJAE	
CCc1ccc(NCC[C@H]2CCC[C@H](C)C2)cc1	1968314038	OCMVTGLNXNYMLT-GOEBONIOSA-N	245.410	4.877	0	10	BJAE	
CCCC[C@@H](CC)CNc1c(C)cccc1OC	1968540907	KUHZDGXDXDTUOZ-CQSZACIVSA-N	249.398	4.632	0	10	BJAE	
CCCC[C@@](O)(CC)C1CCC(C)(C)CC1	1975959481	TTYFPMGRSSROOG-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)C[C@@H](N)c1csc(C(F)F)c1	1978580416	XAGMOGKEBFUOPZ-SNVBAGLBSA-N	247.354	4.512	0	10	BJAE	
C/C=C/CCC[C@@](C)(CCC)CNC(C)C	1984634501	GXSBLVOSRUDZKN-PMGBHYCQSA-N	225.420	4.537	0	10	BJAE	
Cc1cccc(C)c1N[C@H]1C=CCCCCC1	1995680396	NXJBLURQDUPWPQ-HNNXBMFYSA-N	229.367	4.604	0	10	BJAE	
CC1(CCC[C@@](C)(N)C2(C)CCCCC2)CC1	1995974168	BPUCYSSCYGUYDM-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@](C)(O)C1(C)CCCCC1	1995990732	JPXALIVGZKKVMV-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC[C@H](C)C1)C(C)(C)C	1996258994	CVHZLBWNZCDYNF-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](CCCC1CCC1)NCC	1996609938	BWQHUZQSAPPRAH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](N)CC1CC(C(C)(C)C)C1	1998239794	KYSQESHPBPSZMP-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)C1CC2(CCC2)C1	1998647627	FBNPWCFHBYEFGL-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]([C@@H]1CC[C@@H](C)C1)C(CC)(CC)CC	2000375663	FMLPNWFZRVEAIG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CN)CC1CCC(C)(C)CC1	2000483998	PVOROHMTCGLTIH-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@](C)(CNC)[C@H]1CCCC[C@H]1CC	2000507404	FZZFEBNDGZKWGY-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCCCN(CCC[C@@H]1CC1(C)C)C(C)C	2000899972	IHNUOILSKBYGGI-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@](C)(N)C1CCCCC1	2002920562	GCENLPQHOGRQQZ-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)[C@@](C)(O)C1CCC(C(C)C)CC1	2002923235	DWPNVUIXPFEKHC-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CCNC[C@@]1(CCC(C)C)CCCC(C)(C)C1	2002972534	VTIWWXFSZWMVSR-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@]1(CNC(C)C)CCCC(C)(C)C1	2002979155	OTLGCYXJNKQXQV-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCC(=C[C@H]1CCCC(C)(C)C1)CNC(C)C	2002993776	NPSZNFKUWRSMHW-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CC2(C)CCCC2)C1	2003013354	GWEAJWNMMMQRMY-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)CC2(C)CCCC2)C1	2003013356	GWEAJWNMMMQRMY-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)C1(N)CCCCCCCC1	2003099872	PKWGSULQYWMQER-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCCC(C)(C)C1	2004711084	GHSJMTGOVHOWSU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)C1(C)CCCCCCC1	2004923722	UFTFOWZPUBYPEA-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@H](C)NC[C@H]1CCCCC1(C)C	2005585049	BNWZLPRFPTXPRJ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@H]1CCCCCCCC[C@@H]1O	2006696896	PIDJWAYUXLQERT-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](N)C1(C)CCC(C)(C)CC1	2007698609	UHDIVORBAJDIAU-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CCC1CC(C[C@@H](O)C[C@@H](CC)C(C)(C)C)C1	2007758041	BLGMSIAEOTYXQO-NEXFUWMNSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@H]1CCC(C)(C)CC[C@H]1NC	2009410698	LDPBORNLDBCFBJ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C	2009594757	SWTJQELSFGIMTG-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CC=CCCC[C@H]1CCCCCC[C@@H]1NCC	2009618417	BLOWYLCQRCVXLF-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCCC[C@H]2C)C1	2009716361	SAJJYVMSAKGOFN-PRLABOORSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC[C@]12CCC[C@H]1C2	2011019432	LGAHALYTKQQBSF-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCc1cccc(-c2csc(C(C)=O)c2)c1	2013663202	SXHRZRHIOYRSSX-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CC(C)CCCCCN[C@@H](C)[C@@H]1CCC1(C)C	2014938034	LUEIPKBLEQPRQS-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)[C@H](C)CCC(C(C)C)C(C)C	2015338196	HSEHIQWKXHTHRQ-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC(=O)C1(C)CCCCC1)C(C)C	2015387306	PTBRAFKCNHYBPG-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCC1(C[C@]2(N)CCCC(C)=C2C)CCC1	2015595934	OUPLQXAVTXABAW-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@@H](C)C1CCCCC1	2017701144	GBYQTWPZRSLTSL-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@@H](CC)C(C)C)CC1	2017719542	BPVLVSMZGHLZMN-SSHXOBKSSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@]2(C)C=CCC2)CC1	2017773869	GXRXEIVRZHRPFN-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
C[C@H](CC(=O)C[C@@]12CCCC[C@H]1C2)C(C)(C)C	2018618794	HZNJQWARJBPNSQ-WWGRRREGSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCCCN(CCC(C)(C)CC)C1	2019379504	IVFZPPZCDVQSLC-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CC(C)[C@H](C)N(C)[C@@H](C)C1CCC(C)(C)CC1	2019387152	XMZPQYSGFRTSHX-KBPBESRZSA-N	239.447	4.568	0	10	BJAE	
c1ccc(C2CC2)c(NC2CCCCCC2)c1	2021026578	YCRDNLMHBVBXEE-UHFFFAOYSA-N	229.367	4.699	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H]2C[C@H]2CC)cc1	2022277219	CJILOUQRJPVTPD-GZBFAFLISA-N	231.383	4.658	0	10	BJAE	
CCC[C@H]1C[C@H]1CNC1CCCCCCCC1	2022394131	NLXSMFRDAPAVAP-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1csc2ccccc12	2022411639	JQHBOSBBXZJUSR-PWSUYJOCSA-N	244.359	4.520	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@H]1CCC)C(CC)CC	2022487791	WFYJDCLRXNJLEQ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1[C@H](C)Nc1cscc1C	2023028115	VOEVOVRGUOLCOB-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
Cc1cc(Cl)c([C@@H]2[C@H]3CCCCC[C@H]32)cc1N	2023945794	NXLFBRVUEOAHOO-HBYGRHMLSA-N	249.785	4.524	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)C1CCCCC1	2026165100	YSDAQTFSBQQMSB-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H](c2nc(CC3(C)CC3)cs2)C1	2026543751	DBWOQIKMNGMLJT-NWDGAFQWSA-N	249.423	4.779	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H](C)[C@]12CCCC[C@@H]1C2	2027024127	ZULVTTJGWAEJBR-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
c1cc(N[C@@H]2C[C@@H]3CCC[C@H]32)cc(C2CCC2)c1	2027316855	NTLOMZMEMGUXHO-USXIJHARSA-N	241.378	4.555	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](NC)c1ccccc1C(C)C	2027518336	QAVORKZAUNLKSE-KEYYUXOJSA-N	245.410	4.507	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)[C@@H]1CCCC2(CC2)C1	2027854451	FFYYFIKWLKISKD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1c(C)c(C)cc(C)c1C	2028252695	QGBQPLXITYHULO-DOTOQJQBSA-N	247.426	4.602	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1cccc2ccccc12	2028253721	ZEZVHMHBAGBRHM-WMLDXEAASA-N	241.378	4.522	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)c2ccc(C3CC3)cc2)C1	2028589646	BJWAJYNZGSAMAV-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
C[C@H](CCC1CC1)N[C@H]1CC(C)(C)CC2(CC2)C1	2030287716	JVLSSGYWAFCJPF-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@@]12CCCC[C@H]1CCC2	2031803737	GTMKZECNWSVOMX-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H]1[C@H]2CCCCCCCC[C@@H]2C12CCCC2	2035890252	GTHKYEJIYBYNBM-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@H](Nc1ccccc1F)C2	2036664270	JICAYFFYCCEHKK-WOSRLPQWSA-N	247.357	4.597	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)[C@H]1CCC2(CCCC2)C1	2037572737	BMWCNGNDJZWCPJ-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC[C@@]1([C@@H]2CCC3(CCCC3)C2)CCCCCN1	2037588909	DZMIJGJHXNFWOX-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@H]1CCC2(CCCC2)C1	2037678961	ODQBWAUEEYGZDW-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc([C@@H](N)[C@@H]2CCCC(C)(C)CC2)c1	2039378885	WWXLVHUVKYBAAO-ZBFHGGJFSA-N	245.410	4.601	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)c2ccccc2F)CC1	2039382629	BTKQUFZGRFZYCT-GFCCVEGCSA-N	248.341	4.615	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CCC[C@@H]1CC1(C)C	2039439875	BGJQXRNTLNPQND-XUWVNRHRSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2CC3(CCC3)C2)CC1	2041383637	PCMVDGNVNFWDIB-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CC[C@@H]1N[C@H](CC(C)C)c1ccccc1	2043675804	JDBCWTOBONQRGG-HYVNUMGLSA-N	245.410	4.552	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)C12CCC(CC1)C2	2045310626	OQVUSOPGWOMLRN-UQPPLGOBSA-N	246.394	4.662	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1NC[C@@H]1CCC=CCCC1	2045317776	OSSBPLPWIOIAQU-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CNCC1(C[C@H]2CCC=CCCC2)CCCCC1	2045320257	LHGJOOUFUAWXOA-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC(C)C[C@@]1(C[C@H]2CCC=CCCC2)CCCN1	2045322970	IVVYRENIADOJAZ-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
O=C(C1CCCCC1)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047424576	MMJBIBXSMNRNKG-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(N)(C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048445541	BKLYXDMALQWVJJ-LJEMCRLJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC2[C@@H]3CCCCC[C@@H]23)C1	2048472177	WRZTYGNKDBFGAN-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@@H]2CC23CCCC3)C1	2049498559	MGNWWHHBRJMVAR-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
O=C1[C@@H]2CCCCCCC[C@H]2C12CCCCCC2	2049672195	KDYDAGURHKXQCA-HUUCEWRRSA-N	248.410	4.886	0	10	BJAE	
CCC1CCC([C@H](NC)[C@]2(C)C=CCCC2)CC1	2049997698	PPFMHOJRVHUIID-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@]1(C)C=CCCC1	2050007522	QIAWJPAYZJTHFW-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CC)c1cccc(C)c1	2050431916	SWJJTVZPGKLPDN-PBHICJAKSA-N	247.426	4.862	0	10	BJAE	
CC1(C)CCCC[C@@]1(CNC1CC1)CC1CCC1	2053390534	MJCGYNQIHOOEFK-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccncc1NCCC1CCCCC1	2053852882	BZOZKVOYCAQXER-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CC1=C(C)[C@@H](NC[C@@H]2CCCC(C)(C)C2)CCC1	2055551349	GVMPLNFAKDBBTF-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1C[C@H](C[C@H]2C=CCCCC2)CC[C@@H]1C	2055605565	YDXZBBNMOUYARJ-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1CCC[C@H]2C[C@H]12	2057353905	MJXPZOJFBZKBIC-YQQAZPJKSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CCC[C@@H]2C[C@H]12	2057357674	MOWBNQPTIKUHBR-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CCC(F)F)Nc1cccc2ccccc12	2057774951	KVTHIHCCBYPNSM-NSHDSACASA-N	249.304	4.686	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CC[C@@]23CCCC(C)(C)C3)C1	2058156176	PANXJXLAAMABCA-BFYDXBDKSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CC2CCC3(CC2)CC3)CC1	2058993088	YPCHCOFQDYQKJN-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@@](N)(CC(C)C)c1ccccc1	2059204167	SMQOWMXIJIGVHP-LAQIPUCWSA-N	245.410	4.633	0	10	BJAE	
C/C=C/CCCC[C@H](NCCC)c1ccccc1	2059253927	VLTZYVOEDFGSEC-RCFWFJCLSA-N	245.410	4.864	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C)CC1)C1(C)CC(C)(C)C1	2060922418	RLONRLJFLRQIHJ-ZFWWWQNUSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@@]1(CNC(C)C)CCC[C@H](CC)C1	2061562863	JFUOZKXCPCLQFY-DLBZAZTESA-N	249.442	4.692	0	10	BJAE	
CCCCCC1CC(NCC[C@@]23CCC[C@@H]2C3)C1	2061572458	QUDWYDPRKGDMLE-MNAZLIDISA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1CC(=C2CCC2)C1	2061731591	VEFZAOCVXQUOEV-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC=CCC1	2063539843	BPVUFZQAIOPZBA-JYYAWHABSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@]2(N)C=CCC(C)(C)C2)C1	2063650287	SJRCJDGBIZKVSU-WBTNSWJXSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C12CCCC1CCC2	2063850821	HCCCFDBOBYBJJO-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](N)(CC12CCC(CC1)C2)[C@H]1CC1(C)C	2065339542	MSFLTSYSECTUDU-VLVHBFOGSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC[C@H]1CC12CCCCC2)C1(C)CCCC1	2067507615	DBDHEMNAAGTMSA-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CC=C([C@](C)(N)[C@@H]2CCC2(C)C)CC1	2068275810	JVYHCDQNODBFDV-LXZKKBNFSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1C[C@@H]1CCN[C@@H]1CCCC2(CCCCC2)C1	2071464847	HGUQHQWWKILGFD-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1cccc(CC(C)C)c1	2071491387	XCJWGVVALYRSEQ-HOCLYGCPSA-N	244.378	4.504	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@H]2CCCC23CCC3)CC1	2072700750	PLRFLUSNJGIHBN-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@@]12CCCC[C@@H]1C2)CC1CCCC1	2074031249	XSJJKKCNNYJGHC-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C1CCC2(CC1)C[C@@H](CCC1CCCC1)CCN2	2074133502	MLAHUBIBTGDFBY-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCC1(C[C@@H](N)C2CC3(C2)CC(C)(C)C3)CC1	2074563445	NXJQPKBUPQMNKD-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@H]1CC=CCC1	2074644990	WVSFSPLRTBEQNE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)N([C@@H]2C=CCCCCC2)C1	2074798416	AMWMBXCWYTWITB-BRWVUGGUSA-N	249.442	4.632	0	10	BJAE	
CCCCCN(Cc1cc(C)ccc1C)C(C)C	2074924817	HPEUCAXABCJIGX-UHFFFAOYSA-N	247.426	4.704	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1Nc1ccccc1C1CC1	2077264740	ZEMXRLWRINPQLD-GOEBONIOSA-N	243.394	4.801	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2C[C@@H]2C2CCCC2)CCC1	2079488137	TYBOVPNXWMSOGT-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@H](C)CCC(C)C	2081208661	HYLYEJLRLRPVHD-CABCVRRESA-N	247.426	4.724	0	10	BJAE	
CCC1CCC(=C2CCCNC23CCCC3)CC1	2083815644	IJFDDRWZBSLQHP-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1scc(C)c1C	2210577268	IVNMPDMOTHBVFQ-ZDUSSCGKSA-N	237.412	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@](C)(O)C1(C)CCCCC1	2215238534	WVMQSDTVCXHAHH-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CCC(N)(CC[C@@H]2C[C@@H]2C)CC1	2215266780	SCYOPYONAHEBNO-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C)Nc1ccnc(C(C)C)c1	2215269411	QHUDYLXQYBRGKM-ZDUSSCGKSA-N	234.387	4.586	0	10	BJAE	
C[C@H]1CC[C@H](CC2C[C@H]3CCC[C@H](C2)C3)C(=O)C1	2218336648	XGKYRVGHQUQYOO-RZLSGREXSA-N	248.410	4.598	0	10	BJAE	
CCC[C@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCN1	2218353394	IDAWTLLEGYXBNV-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
N[C@@H]1CCCC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218365180	KZBXZQVWPRRRMS-DMRKSPOLSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCNC[C@H]1CC12CCCC2	2218720590	KKGDKSNPIWTJMG-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
Fc1cccc2ccn(CCC3CCCCC3)c12	2220310575	HZDDIPKYYMOZPG-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
CN[C@H](CCCCCCCC1CC1)[C@H]1CC12CC2	2223132284	ICIPOZISMFMFGT-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1ccc(C2CCC2)cc1	2223692619	YHAHFVNRKZBSCO-DCGLDWPTSA-N	246.394	4.670	0	10	BJAE	
CCC(C)(CC)[C@H](NC)c1cccc2ccoc12	2224181816	RRVMZYKRJYQVCG-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CCC(C)(C)[C@H](N)CC[C@@H]1CCCCC12CC2	2246631706	UWSVRMLCLCIGSK-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
Cc1c(Cl)cccc1NC1CC2(CC(C)C2)C1	2246836620	YMDOWHNDQPCUSU-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cc2ccccc2s1	2246911236	ZFLLZIWOYJFPKP-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
C[C@@H]([C@@H](O)c1cc2ccccc2s1)C(C)(C)C	2246954851	DWKLKTWHLXCWJE-IINYFYTJSA-N	248.391	4.617	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1CCCC12CC2)NC	2247604489	BRSSHUBOSHCADY-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](C)(N)C1(C)CCC1	2248866635	QPZAZCMYIZVAID-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@](C)(N)CCC1CC1	2248867749	XJQDURABXXIBGR-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@](C)(O)C1CCCC1	2248868698	CUUIWIXOYOALLG-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
Cc1cc2nc(C(C)C)cc(Cl)c2c(C)c1C	2249486097	KEIYQJXHAHREIG-UHFFFAOYSA-N	247.769	4.937	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@@H]1CCC1(C)C	2250490358	IIDAGWFOEKEUJN-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(CN)C=CCC1	2250496206	PSFGVVWXQQJMPM-JKSUJKDBSA-N	237.431	4.524	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@]12CCCC[C@@H]1CC2	2251171846	QBZJYAVXRDFBDY-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H]2CCCCC23CC3)CN1	2253887559	XLNWXHCKLXESAT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NCC[C@H]1CCCCC12CC2)C1CCCC1	2253890191	JKSSLRRZKQEMAD-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CC[C@H]2C2CCC2)C1	2253998275	UJWAMZXUQIFING-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1CC2(CC(C)C2)C1	2254455348	SDZXUKASELDVGO-ZJVBCEJDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C12CCC(CC1)CC2	2254582165	RHIOAMBSSPJNMI-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2CCC23CCC3)CCCCC1	2255014333	BQSLOYFFAVPJNR-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)c1ccc(C2CC2)cc1	2255026565	QXEZYIITGIELNS-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
C[C@@H](CC[C@@H]1CCCC12CC2)c1ccc(N)cc1	2255234937	QXYZCTNZWNZEPA-ZFWWWQNUSA-N	243.394	4.733	0	10	BJAE	
CCCc1ccc([C@H](N)CCC(C)=C(C)C)cc1	2256295077	ZOZFBSULBZDXDW-QGZVFWFLSA-N	245.410	4.775	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@@H](C)CCC(C)C)cc1	2256297590	WVEUNTPGTZDAMC-YOEHRIQHSA-N	247.426	4.711	0	10	BJAE	
CCC[C@H](CC)CNC1CC2(C1)CC1(CCC1)C2	2259477632	JWZZKAINNBOKAR-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(C(=O)C[C@]23CCCC[C@@H]2CC3)CCC1	2260587387	MPNZMSOAXSJWOD-GDBMZVCRSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C1=CCCCC1)C1CC(CC(C)(C)C)C1	2261199344	XDHHMRXGHWUTQN-AVVWSFFYSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H](N)CCC1CCCCC1	2298920953	QMYUSSBKDRAVDU-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC12CCC(CC1)C2	2300502290	YGTPTFLMDSAIRY-HWOWSKLDSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)NCCC1CC(C)(C)C1	2300505709	PDDXYGMVSFLXSR-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCC(C)(C)CC1	2300701878	URABOBCFONMUGH-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC[C@@H]1CNC(C)C	2300702848	ZNOVEXXOPOPFRC-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CCNCC1(C)CCC(C)(C)CC1	2300865699	QMTUIMBHFZFGON-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)CC=C(C)CCCC(C)C	2300866525	AAFBAXDCKGFQGB-CVEARBPZSA-N	240.431	4.946	0	10	BJAE	
CCC(C)=CC[C@]1(N)C[C@H](C)CCC1=C(C)C	2300873006	VHBPYGJFNXPDKS-ZBFHGGJFSA-N	235.415	4.587	0	10	BJAE	
CCC1(N(C)CC=C(C)CCCC(C)C)CC1	2300881854	VSYBKEOCCFWOCZ-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCC(C)=CC[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	2300893184	OGCMMBBOFYCQTH-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1CCC[C@@H](CC)CC1	2300908147	ABBYMUPSYREDQZ-OAGGEKHMSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)CC(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301140594	QIUUZOWCURQYRR-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@H](C)[C@@H](C)C(C)C)CC1	2301863834	HYGPGEQHDKTGOY-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H](C)[C@@H](C)C(C)C	2301867823	VRJZXBIEDDYDQQ-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)[C@H]1CCC[C@@H](C)CC1	2301978225	MTZKPFCGBHIALF-QXSJWSMHSA-N	239.447	4.568	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC(C)(C)C1)CC(C)(C)C	2302675487	LSGGFAHLOUWGDH-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCc1cscc1N[C@H]1CCC12CCCCC2	2302885188	NIPONNNXQJZHCL-AWEZNQCLSA-N	249.423	4.835	0	10	BJAE	
CC[C@@](N)(CC[C@H]1CCC(C)(C)C1)CC1CC1	2304435245	HPSGIWQXZLRACR-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)CN1CC[C@@H](CC(C)(C)C)C1	2307747872	UEAYKFZNLMKOHQ-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)CC1CCCCC1	2307832746	WDSZMJIQEMNJSN-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)C12CCC(CC1)C2	2307873304	FBXVYAXBVXKHBR-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
CC1(CN[C@H]2CCC[C@@H]3CC[C@H]23)CCCCCC1	2309524838	KCAAJDHMLKAOSW-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@H]1C2	2312903266	NXEOFULVQATUPL-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1C[C@@H]2CC[C@H]1C2	2312915738	OOXAEMGXVNMIOO-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@]1(N)CC(C)(C)CC2(CC2)C1	2313658767	CLVCEFSCLQKLBD-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1NC(C1CCCCC1)C1CCCCC1	2316367379	NUMWCQDRLIEDNU-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CC(=CCN1CC=CC12CCC2)CCCC(C)C	2316512628	HKRLPKPAJUJXGM-UHFFFAOYSA-N	247.426	4.554	0	10	BJAE	
Cc1ccc([C@](C)(O)CC2CCCCCC2)cc1	2316965840	RKQZZGCVVJGSAY-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CC1(C)CCCC1	2317530909	XZXLFYMKBWMYSE-UHFFFAOYSA-N	245.341	4.669	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CCC[C@@H]1C[C@@H]1C	2318928255	MTRLEOFETWWOFR-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@@H]2C[C@H]21)C1(C)CCCCC1	2319340257	KBQZVGODZPXJEA-ZJIFWQFVSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NC[C@H]2CC[C@H]2C(C)(C)C)c(C)c1	2320240080	JSENPXMUHTVOEE-HUUCEWRRSA-N	245.410	4.788	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@@]1(N)CCCC12CCC2	2320258930	PXLDSPUHHPAIID-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C[C@@H]2C[C@@H]2CC)cc1	2320332224	WGMQIKYDHNVLGF-MGBSGCIJSA-N	246.394	4.670	0	10	BJAE	
CC(C)c1ccnc(C(=O)CCCC(C)(C)C)c1	2327834493	XCBTYIUJYQVNFQ-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
CC(C)c1ccc2[nH]c(C3CCCC3)cc2c1	1518335	IKMBYWSUOKIRJZ-UHFFFAOYSA-N	227.351	4.949	0	10	BJAE	
Cc1cccc(C)c1/N=C/C=C/c1ccccc1	17040887	WRVCNSQJYRQNGN-NTIJCTKGSA-N	235.330	4.719	0	10	BJAE	
CCC1CCC(N[C@@H]2CCCC[C@H]2CC)CC1	35257205	DZGXJRLDVXYPAC-GYTBAZASSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](NC)c1ccc([C@@H](C)CC)cc1	35469005	BNBIPRJIDPWRLY-XJKSGUPXSA-N	233.399	4.651	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H](C)CC	37186557	RXPPWLNBWBVOOA-AWEZNQCLSA-N	227.436	4.904	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)c1ccc(C)cc1	69377081	YTTVPFQELBPPQG-ZBFHGGJFSA-N	233.399	4.614	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@H](O)C(C)(C)C	70779551	UNVMCXTWQFGCPB-KGLIPLIRSA-N	228.420	4.780	0	10	BJAE	
CC[C@H]1CCC[C@@](N)([C@@H]2CCCC[C@@H]2CC)C1	71111643	HVGWZQRAURCQOI-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CSc1ccc(NC[C@@H]2CCC[C@@H](C)C2)cc1	89586514	YSDSOEXCNICOAR-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCCCC1(C)C	94277921	CMXBZYRKNIJRDM-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](NCC)c1ccc2ccccc2c1	103942282	JDOKSFHBPWHJEA-QGZVFWFLSA-N	241.378	4.681	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cc(C)sc2N)cc1	105554954	NRZPSGNEOJZQQX-JTQLQIEISA-N	245.391	4.819	0	10	BJAE	
CC/C=C\[C@H](C)Cc1ccc(CCC)s1	107545451	ZLPWUQYKRWFFBR-VFFGBVLKSA-N	222.397	4.845	0	10	BJAE	
C/C(=C\[C@@H](C)c1ccccc1)c1ccccc1	108605067	ZCQAJLRORFEKOZ-SXWSKBOKSA-N	222.331	4.894	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1CCC(C)(C)C1	129560951	OUKSCRKRQJGKAT-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc2c(ccn2Cc2c(C)cccc2C)c1	129603674	DOTYDJZQGLVBRC-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@H](C)CC(C)(C)C	133354308	WHMSWBBGDWEBFH-JSGCOSHPSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCC[C@@H]1CNCC	134148513	WQHFIRJWPHZUEP-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCN[C@@H]1CC[C@H](C)c2ccccc21	136962044	UKLWAKQRZPRHKB-WMLDXEAASA-N	245.410	4.651	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(O)CC1CCCCC1	156151457	SPRKJWPQSDVWBR-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc2c(Cl)c(Cl)cnc12	157002636	OGDVLGBFTZJWBE-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(CNCC)C1CC1	164152592	DKVSMASTXBAXII-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1C(C)(C)C1(C)C	164253078	PITNYUCIBWFYNV-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)C1CCCCC1	167074282	QQZIRIPJCZJDLG-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc(OCCC2CCCCC2)c1	207396603	LTOXIXCDVZBKAJ-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CCCCC[C@@H]1CCCC[C@@H]1CNC(C)(C)C	211891073	UXSWJBXUBRBCNQ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@H]1NCCC1=CCCCC1	214444946	LJQPEMSXSBJPHA-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC(=O)C1CCCCCC1)CC(C)(C)C	229434727	BNFMQCLIMDZGCL-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
C1CCC(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	251080775	GZBYAYYNVYJPTD-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(O)c(N=Nc2ccccc2)cc1Cl	254569452	PLZWRFMDTAUQNH-UHFFFAOYSA-N	246.697	4.769	0	10	BJAE	
CC(C)SCc1coc2c(Cl)cccc12	258012517	LUSZZYPNBFIGJO-UHFFFAOYSA-N	240.755	4.728	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@H](C)[C@H]2C1	263637876	QAQCPAHQVOKALN-SBJFKYEJSA-N	208.389	4.741	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](C[C@@H](C)CC(C)C)C1	302265476	CIAUFJAFWUBNFK-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@](CC)(CO)CCC1CCCCC1	302278329	TXEOGCUQQAYREG-MRXNPFEDSA-N	240.431	4.926	0	10	BJAE	
CCc1ccccc1[C@@H](C[C@H](C)CC(C)C)NC	302328880	KNJGTLZYUDSVBA-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
C[C@H](C[C@H](O)CCC1CCCC1)CC(C)(C)C	305926114	IUJYIKLQWSGYHZ-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1ccc(C(C)C)cc1	305950014	CQTJCBKPTDVRND-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
C[C@@H]1CC[C@H](n2ccc3ccccc32)C[C@H]1C	309942225	OAEYEQUKONKEOP-NFAWXSAZSA-N	227.351	4.639	0	10	BJAE	
CC[C@](C)(CNC(C)C)C[C@H]1CCC[C@H](C)C1	310162648	RNUIUANYSNRCBB-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cc2cccc(C)c2o1	310611063	BUVRQQLCWUXPPH-NHYWBVRUSA-N	245.366	4.567	0	10	BJAE	
CCCC1CCC(N[C@@H]2CC3CCC2CC3)CC1	311137493	FFTDCOKBNGDWCR-RXXRUYGPSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@@]1(CC=C(C)C)CCC[C@H](CC)C1	317239458	JTVCSNRAFONZLN-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](NC)c1ccc(C(C)C)cc1	318956500	YDSZGVSKGVVJHO-JJRVBVJISA-N	247.426	4.753	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C(C)(C)C1CCC1	322943615	MXCJVTJCPMKQAU-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
C/C(=C/c1ccc(F)c(Cl)c1)[C@H](C)Cl	379527254	RZDRAURISRXHRR-TVSKSKRASA-N	233.113	4.510	0	10	BJAE	
CCc1cc(N[C@H]2CC3CCC2CC3)ccc1C	382098869	IKBODCXHPYMJET-PGEKIEPBSA-N	243.394	4.548	0	10	BJAE	
CC(C)CCCCCNc1cc(F)ccc1F	383295707	RWUWXCIKKANMAJ-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
CCC[C@@H](CCCCCC(C)C)CNC1CC1	383316611	WXIKCGGLWAJFBU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@H](C)CC(C)C	383641222	ZTLVJZZRDMODAW-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H]1CCCC[C@H](N)C1)C1CCCCC1	383645019	HTOBORISASUQNC-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)CC1CCC(C)(C)CC1	383900857	NPOFXSKMSCHFQD-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCNCC(CC)(CC)CC1(C)CCCC1	384006873	PJAIATNWDVBSAR-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](C)CCC(C)(C)C)[C@H]1C	384161461	TVAVESDYIBOIMU-XQLPTFJDSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc2c(ccn2C[C@H](C)c2ccccc2)c1	384671231	XZNNFSZQNCNHTL-HNNXBMFYSA-N	249.357	4.753	0	10	BJAE	
CCCN[C@H](C)/C(C)=C\c1ccc(C(C)C)cc1	385348198	SHMCNQNWWRFBIN-IKESIWSLSA-N	245.410	4.601	0	10	BJAE	
N[C@H](CCC1=CCCCC1)CCC1CCCC1	385807115	PQGREMYPRDRNHT-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC[C@H]1CCC[C@@H]1N[C@H]1CCC[C@@H](CC)CC1	388585716	HZHPYFHBPPPJEB-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC(C)(C)CN[C@H]1CCC[C@H](C)CC1	391165653	DIWVCJRZBKBQHK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C1CCC(CCCN[C@H](C2CCC2)C2CC2)CC1	395181692	FTUKZQVOJMQWRD-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)NCCCC1CCCCC1	395214493	LSRVJJAYXKYKNL-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)CCC1=CCCCC1	395317432	JWJYXAHVJJNEKW-OQLLNIDSSA-N	249.442	4.992	0	10	BJAE	
CCC[C@](O)(C1C[C@H](C)C[C@@H](C)C1)C(C)(C)C	395413086	IUDXTKOGHVWLIN-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
C=C(CCCC)[C@@H](O)CCCCCCCC	396152223	RJRJDESAEWORBS-HNNXBMFYSA-N	226.404	4.844	0	10	BJAE	
Cc1ccc(C(F)(F)F)c2c(S)csc12	396303703	MZHJNAGGPXDYLK-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H](C)C1CCC1)NC	398705760	LIKCJFIADKAGPV-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CCC(C)(C)C[C@@H]1C	686307197	VXNOJGYYKNGDQM-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCCC(C)(C)CC	686312738	WSKAEYADDHPUHV-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CNc1cccc(F)c1Cl)C(C)(C)C	690268684	ROFNIYPQLJFVLE-VIFPVBQESA-N	243.753	4.573	0	10	BJAE	
CC1(CNCC2CC3(CCC3)C2)CCCCCC1	691948048	SRPZZKDAIAVJLC-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cc2cscc2s1	694361785	RMTGVPNONWYWKX-MRVPVSSYSA-N	238.377	4.582	0	10	BJAE	
CCC(C)(C)C[C@H](CCC(C)(C)C1CC1)NC	696204893	DZSRKGRNLZDOAM-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC(C)(C)CC	697259339	OYZLPGRMSXGVHY-ZDUSSCGKSA-N	226.404	4.988	0	10	BJAE	
CC[C@H]1CC[C@@](CNC(C)C)(CC2CC=CC2)C1	700968096	CXSFETGRUKDRPR-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C(C)(C)CC	701087050	HKJUIKJARBWLCX-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CCC1(N)CCC(C2CCC2)CC1	704459517	HJBDXMMHFJRPHU-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@H]1CCCC12CC2	706251625	YFFSLARYNDXHNY-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCCC12CC2)C1CCCCC1	706304600	XICPRZKXWXLFLA-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@@]2(N)CCCC23CCCC3)CC1	707766739	OETJKOQEMMEDEZ-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1)[C@@]12CCCC[C@H]1C2	709095418	LIESSSNUHNRUFL-HUBLWGQQSA-N	249.785	4.721	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@@H](C)C(C)(C)C)C1	710755087	SYDSDNSYOMPXNI-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CCCC1CCC1	711169016	JSZUJWANNBTXEO-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CNC[C@@H](CCCC(C)(C)C)C1CCCCC1	711257634	PDRGICPVONSUTH-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@H](CC(C)(C)C)c1cccc(C)c1	713138800	GMSOAJDMSCLXGJ-INIZCTEOSA-N	247.426	4.514	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C1CC2(CCC2)C1	717530498	HTVVPZCFYUSWNJ-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)CC1(CNC(C)C)CCC=CCC1	718081862	FWTZOGMXQSOSOY-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@@H](C)C1CCCCC1	721698408	FFPBYPIIGHEGRT-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@@H]2CCC[C@@H]21	722074753	JQNRLPBZOZIABT-JLJPHGGASA-N	243.394	4.630	0	10	BJAE	
CCc1c(Cl)cccc1OC1CCCCC1	829086237	PLOBGRULAXPADR-UHFFFAOYSA-N	238.758	4.614	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H](C)c1ccccc1	1181891545	BWXUCOBTDMFCBA-HOTGVXAUSA-N	245.410	4.515	0	10	BJAE	
C1CCC(CSC2CC3(CCC3)C2)CC1	1307295188	UDJPIYWPMMSGIL-UHFFFAOYSA-N	224.413	4.633	0	10	BJAE	
C/C=C/CCCc1cc(Cl)sc1C	1882213764	DZGQCPAINPQOQQ-ONEGZZNKSA-N	214.761	4.609	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@H](C)CC	1900704014	OMQDAMCSZWOYJS-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)[C@@H](C)[C@H](C)C(C)C	1901703410	PALLNKWZMTURDC-HZSPNIEDSA-N	226.404	4.556	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)C[C@@H](CC)CCC	1905442125	CMOIJSYINYUYGX-KFWWJZLASA-N	227.436	4.617	0	10	BJAE	
CCC(=CC(CC)(CC)CC)CNC(C)C	1911619635	PVIWEAGSYYHSIG-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
C=CC=CCC[C@@H](NCC)c1cc(C)c(C)s1	1911951028	YEHQJKMERFNDLY-CQSZACIVSA-N	249.423	4.538	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(SC)cc1	1912032100	MOVANKMZJYBJLC-GFCCVEGCSA-N	220.381	4.868	0	10	BJAE	
C=CC=CCC[C@]1(CNCCC)CC[C@H](CC)C1	1912104939	FITZUOURYDYFHX-IRXDYDNUSA-N	249.442	4.705	0	10	BJAE	
CCC1CCC(N[C@H]2CCC3(CCCC3)C2)CC1	1916439530	AGBRINORXQDGNN-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@](O)(CC)CC(C)(C)c1ccccc1	1919506528	CCZKSANRYWSYIE-KRWDZBQOSA-N	248.410	4.686	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)c1ccccc1C1CC1	1919978679	ZSOYEPBKQZHVKU-CXAGYDPISA-N	246.394	4.598	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CCC[C@@H]1C	1919987740	OCNJXXGYCHIMSS-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)NC1C[C@H]2CCC[C@H](C1)C2	1923473784	KMJPLZKFYRHREQ-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@](C)(CO)C1CCCCC1	1923906358	YGKBTEIZPVICES-OAHLLOKOSA-N	226.404	4.536	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)CC1CCC=CCC1	1924120784	BMUABAHIVPRYIC-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CCCOc1ccc(C[C@@H]2C=CCCCC2)cc1	1925843838	OKSMOMXMISKCCN-OAHLLOKOSA-N	244.378	4.764	0	10	BJAE	
CC[C@@H]1CC[C@H](NC)[C@@H](C[C@@H]2C=CCCCC2)C1	1925892449	SHHSAPPDGMFWIY-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CCC[C@H]1C=CCCCC1)NCC	1925943801	BFLFJACNIKSWPJ-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@](C)(O)CC1(C)CCCCC1	1935622559	IEPVJEIDBULWCT-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CC(C)(C)CC[C@H](N)CCCCCC1CC1	1936414175	BWVQOULKRFGDCK-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CCC1CC1)CC1(C)CCCCC1	1940409152	NXSXIXWSZOYRLD-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(=C1CCC(C(C)(C)C)CC1)[C@H](N)C(C)C	1941160106	UFZCTJHGACHDGH-YSSOQSIOSA-N	237.431	4.523	0	10	BJAE	
CC[C@@](O)(CCCCCC1CC1)[C@@H]1CC1(C)C	1941578484	AYIMOECOEMJEKX-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(NC2C[C@@H]3CC[C@H]3C2)cc1Cl	1941957025	HFGFFHJKPJXQMZ-RYUDHWBXSA-N	249.785	4.503	0	10	BJAE	
Cc1ccc2c(ccn2[C@H](C)CCC(C)C)c1	1942659401	JELMFHVJTJMAOJ-CQSZACIVSA-N	229.367	4.947	0	10	BJAE	
CC(C)CCCC(=O)C(C)(C)C1CCCCC1	1944643047	UHVMDCLCPMGDNA-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1[C@@H](C)[C@@H]1CC	1945692719	KSVZRHULWYFCHO-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(C)(C)Nc1snc2ccccc12	1946977890	VEIRRCGEQBJCBX-UHFFFAOYSA-N	248.395	4.533	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C1CCC(CC)CC1	1947464103	GDSKINWMSPQCNN-KNIAUWFNSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](NCCC)c1c(C)coc1C	1947527236	SUICIZXSWXHLEY-AWEZNQCLSA-N	237.387	4.517	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CCC3(CCCC3)C2)cs1	1949495158	DZFBAWTYMLITHN-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CCCN[C@H](CCCCC1(C)CC1)C(C)(C)C	1949827306	LEXIZARFZKCEDB-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)CC[C@H](N)CC1CCCCC1	1949919465	WVQVRBLSCGLESO-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CCCC2CCC2)CC1	1950924138	JZQDBLUGIUUCBC-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)C1(CC)CCC1	1951235355	SPTAQTQLAGFLOK-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC=CCCc1c(C)cc(OCCC)cc1C	1951309094	URXMEVOWMHDNNO-UHFFFAOYSA-N	232.367	4.601	0	10	BJAE	
Cc1cccc(NC2C[C@@H]3CCCC[C@H]3C2)c1F	1965896168	KMFPAKKSCZQLCC-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
Cc1cc(F)cc(NC2C[C@H]3CCCC[C@@H]3C2)c1	1968596722	UZRSXSNGZZBZJV-CHWSQXEVSA-N	247.357	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H]2CCCCC23CC3)C1	1972730399	XFYIJTVRORZAKX-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCC(=O)[C@@H]1CCCC(C)(C)C1	1978424957	NWZVYONIGJEWMK-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](CCC(CC)CC)c1cccs1	1980693245	VAXFXGHDPVAUOF-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC[C@H](C)C(=O)C1	1982776817	DYPHYKZZXDGDHU-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(CC2CC(=C3CC3)C2)cc1Cl	1985537625	YPFCLCNLAILHDK-UHFFFAOYSA-N	232.754	4.691	0	10	BJAE	
CCCC[C@@H](O)CCC1(C(C)(C)C)CCC1	1989445682	LQSJLRHISIJAOV-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCC)C(C)=C(C)C	1989664996	MAZLZVACZDFHOK-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1(CC)CC1	1990600389	VEVMTWXSEGWMEW-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1CC(C)C1	1995213736	GABKCAXLBSDGST-HSBZDZAISA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1sccc1C	1995215413	VLBXQEWREPKSKY-NSHDSACASA-N	238.396	4.846	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(N)C1(C)CCCCC1	1995985875	LTMXAJZVCHBKJH-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@H]1CCCC[C@H]1C	1996612301	XIGUMLNCVPFRFK-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CCC(C)=C(C)C	2000193995	VMDLFFVRYHTGTM-HUUCEWRRSA-N	236.399	4.908	0	10	BJAE	
CN[C@@H](CCCC(C)C)C[C@@H]1C=CCCCC1	2000253698	BRGLWHJCBCFQEH-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C1(C(C)C)CCC1	2000374619	WYXSVHIGYOXKTP-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@@H]1C=CCCC1	2000498854	DWVSASJVFQDCGE-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CNC)CC1CCC=CCC1	2000515764	RZFXSZLPPMPHTB-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@]1(CNC(C)(C)C)CCC12CCC2	2001852705	XDSICRBUYCLURI-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)[C@@H]1CCC[C@@H](C)C1	2003009291	YILSECKOGYYOIX-BMFZPTHFSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)[C@H]1CCC[C@@H](C)C1	2003013664	IPEBNAKNFXLGDS-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@]1(C)C=CCCC1	2003326048	ZJUHUICXDQVJPL-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(O)CCCCC12CC2	2005540591	CKGWVHVZFWYSFC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@H]1CCC[C@H]1C(C)C	2007621754	GKLOKCFPBBEZGP-KKUMJFAQSA-N	238.415	4.700	0	10	BJAE	
CC1(CC[C@]2(N)CCCC[C@H]2C(C)(C)C)CC1	2009551829	KOTIKEKSVPLRGN-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@H](O)[C@@H]1CCC[C@@H](CC)CC1	2009593295	NHTXYNKARPGSBH-WQHDIMKJSA-N	238.415	4.700	0	10	BJAE	
CC=CCCCC[C@@H](CC1CCCCC1)NC	2009620727	XQWVPGJZGNODOG-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H](C)CC(C)(C)C	2009633734	BMPXJBUKWQYCKE-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C1=CC[C@@H](C)CC1	2010623949	KBOKKZCYSCJCSJ-CJNGLKHVSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CCC(C)C)NCC[C@@H]1CC=CCC1	2013264072	KPJSNYVQNQOHHP-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1C[C@H](C(C)(C)C)C1	2013708910	VKJNSZFTGBUXRQ-AJNGGQMLSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](N[C@H](C)C1(C)CCCC1)C1(C)CCCC1	2014368387	APHVSNRMIXIDRG-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)[C@@H]2CCC2(C)C)c1	2014903489	STVKIYGDXHCFAK-KGLIPLIRSA-N	231.383	4.540	0	10	BJAE	
Cc1cn(CCC(C(C)C)C(C)C)c(C)c1C	2015393742	GXOOCNGPTGPEKZ-UHFFFAOYSA-N	235.415	4.732	0	10	BJAE	
CCCC1(C[C@@]2(O)CC(C)(C)C[C@H]2C)CCC1	2015639639	IXRVWMQQIHRIIM-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C1=CCCCCCC1	2016114594	IRDZPLDDWWIJNA-MRXNPFEDSA-N	235.415	4.731	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cc(F)ccc1F	2016150283	RYUKZMQDDUGTBG-NSHDSACASA-N	239.309	4.512	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)CCC2(C)CC2)CC1	2017659722	WXCLMYNQXBGOQJ-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@](C)(CN)CCC)CC1	2017726419	YYCBCDWQBXSSJJ-UYSNPLJNSA-N	239.447	4.748	0	10	BJAE	
CCCCC[C@@](O)(CC)C1=CCC(C)(C)CC1	2018130639	PDGYBUAOVDRPFJ-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@]1(CC)CCNC[C@H]1CC(C)C	2018134512	PENRPKAAYYJHLM-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CCCC(C)(C)CC2)CC1	2018924340	MVZOVWFAXKBWDP-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CC1(CCC)CC1	2018988627	WQUQNUJCTVAJNL-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCN(CCCCCC(C)C)C1CCC1	2020637639	OFFCGXILLZMYGQ-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H]1C[C@@H]1C1CCCCC1	2022414226	HZSXCVDUMUNDMR-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H]1CCCC(C)(C)C1	2022556340	FHKHOINKFFCUJC-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CN)CCC1CC(C)(C)CC(C)(C)C1	2024100258	AZEKHPDBONCWNR-CYBMUJFWSA-N	239.447	4.604	0	10	BJAE	
CC1(C)CCC[C@@H](CCC2(O)CCCCC2)C1	2024114518	CFNZSRUDCIYRPP-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@H]1C[C@@H](C)CCC	2024511759	XXMXUPOSSPSIAT-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC[C@@H](C(C)C)C1	2025577071	AYCDYQOGQCDKGL-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(-c2nc(CC(C)C)cs2)cc1C	2026527246	QSBRQFCNORYUTD-UHFFFAOYSA-N	245.391	4.625	0	10	BJAE	
C[C@@H](C[C@@H](N)c1cccc(C2CC2)c1)C(C)(C)C	2028553165	WLLBQVWTGNQXTJ-BLLLJJGKSA-N	245.410	4.636	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)c1ccccc1C1CC1	2028560750	SZVHYASNAOKYNW-WBMJQRKESA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)C1	2028964791	NBFPEJUJXPLYSR-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)C1(C)CC(C)(C)C1	2029107105	XEBWISFMVWIMNR-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@]12CCCC[C@@H]1CCC2	2031797832	HDEULGIAAHVZIJ-WCXIOVBPSA-N	249.442	4.658	0	10	BJAE	
CCCC1(CN[C@]23CCCC[C@H]2CCC3)CCC1	2031805567	RNEPXFAJRYJIAO-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2032776342	MVPXPFDXGLZCJT-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@H]2CC3CCC2CC3)C1	2033382042	BRPYBOGQQWDVEB-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)Nc1ccc2[nH]ccc2c1	2036383876	PXRZTMHUYBRVIB-CHWSQXEVSA-N	244.382	4.651	0	10	BJAE	
C[C@@H]1CCCC[C@H]1n1ccnc1C1CCCCC1	2036775369	DOXGRBAECRQVDM-UKRRQHHQSA-N	246.398	4.682	0	10	BJAE	
N[C@H](CCCC1CC1)c1cccc(C2CCC2)c1	2037089920	IAJLMHREEPRACH-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
N[C@]1(CCC2=CCCCC2)CCC[C@H](C2CC2)C1	2037171466	IUVKMSGOAKQRME-IRXDYDNUSA-N	247.426	4.565	0	10	BJAE	
CC1(CCC[C@]2(N)C[C@@H]3CCCC[C@@]3(C)C2)CC1	2037175827	KTKWCPRJOMNBHS-XIRDDKMYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1CC[C@@H]([C@@H]2CCC3(CCCC3)C2)C1	2037700892	WYSLWQWAHRQUDF-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](CC1CC2(CCC2)C1)C1=CCCCCCC1	2037977155	SJOBEJUHMJGNCS-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)CC1CC2(CCC2)C1	2038082301	CXXRGXQBSFGDHE-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1C[C@@H]1NC1CC2(CCC(C)(C)CC2)C1	2038932384	CQXLIQRBFZFICM-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H](C)c2ccoc2)CC1	2041374751	CWSSKGMYGMLFFK-RRFJBIMHSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC[C@]1(C)NC[C@@H]1CC12CCCCC2	2041737037	RGZMLZZEURWTBB-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(C[C@@H]2CCC=CCCC2)CCC12CCCC2	2045306740	BUDSHIWZXHPWMO-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC[C@@H](N2CC=C(C(C)(C)C)CC2)C1	2045516389	JXVSKTOSJIOYOB-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CC1(CCCC2(N)CC3(CCCCCC3)C2)CC1	2046232435	XRHORIXPTYYHQC-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1[C@H]2CCCCC[C@H]21	2048384313	PQVIWYLAQBBAPG-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048466316	WFCMBRKRTSHXMN-PRMLZIFMSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(NC[C@@H]2CCC[C@@H]3C[C@@H]23)CCC1	2049669070	GNVGSOZJHADZIY-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C[C@H]1CCC2(CC2)C1	2049937189	BGHQEUPAMIXLEN-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@]1(C)C=CCCC1	2050000055	JPEPMMYHDDCQKB-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccncc1N[C@@H](C)CCC(C)(C)C	2053853550	JXLPFAKDYNABQQ-ZDUSSCGKSA-N	248.414	4.832	0	10	BJAE	
CC1(C)C[C@H]1CCCC1(CN)CCC2(CC1)CC2	2056526784	PUMLUCKOCRHJFH-CQSZACIVSA-N	249.442	4.502	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC1CC(C(C)C)C1	2056669326	ILTBPQBBVQTJPG-PBMMVSLJSA-N	248.410	4.620	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@H](C)C1CCCC1	2056874738	ZUXXLDAEGOCTIJ-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1(C2CC2)CCCC1	2057610174	XNRNCFJOWNEZDD-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C2=CC[C@H](C(C)(C)C)CC2)C1	2061113527	PKTCUZIVEDWSGP-KEYYUXOJSA-N	249.442	4.667	0	10	BJAE	
CCCC1([C@H](N)C2=CC[C@@H](C(C)C)CC2)CCC1	2061147678	POIMHFPEMGUMCL-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C[C@]12CCC[C@H]1C2	2061614145	CLLGBQJXGJPKGJ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](CCC2CC(=C3CCC3)C2)C[C@@H](C)O1	2061723418	REMIDDAKUJVLHS-WDNDVIMCSA-N	248.410	4.861	0	10	BJAE	
N[C@]1(C[C@H]2C=CCCCC2)CCCCCC12CC2	2062010830	ZSIDQIGJJCDETI-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C12CCCC1CCC2	2063822901	XRNHKZFNCCLROD-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc([C@@](N)(CC)CCC(C)C)cc1	2065991748	AMGSBLDQJMBEJU-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)c1ccc(C)cc1C	2068823413	QWORZFPMOWUAOH-RHSMWYFYSA-N	247.426	4.636	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1ccc2ccccc2c1	2071471617	NDGFPNACCVBRAI-XJKSGUPXSA-N	239.362	4.688	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CC1CC2(C1)CC(C)(C)C2	2071483414	FQLBLFXRUWUOSF-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CCNC3(CCC3)C2)CCC1	2071951441	UGQNYJHVPRIPPW-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC(CN(C)[C@@H](C)c2ccccc2)C1	2074791137	PWUFQMIUBKWCBV-UQPPLGOBSA-N	245.410	4.506	0	10	BJAE	
CC(C)c1ccc(CN2CCCCC[C@H]2C)cc1	2074994486	WWABKPYNJIRNRN-OAHLLOKOSA-N	245.410	4.575	0	10	BJAE	
C1=C[C@H](N2CCCC3(CCCCC3)C2)CCCC1	2075408100	MPJOKNAHANJGFS-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H]1C[C@H]1C1CCCCC1	2079434141	FDGXSGWKTIDWEQ-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@H]1C[C@@H]1C1CCCC1	2079436707	WSCUPIQDYWOLLK-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CCCNCC(C)=C[C@@H]1C[C@@H]1C1CCCCCC1	2079664255	DQWWBQRLCOZKKI-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
CC(C)NC[C@@]1([C@H]2C=CCC2)CCCCC1(C)C	2081681845	HPWHJUAXPNUFRN-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC[C@]1(CC2CCCCC2)C[C@@H]1CNC1CCC1	2083191277	NXFQNHMBARXOIC-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H]1CC(C)(C)C1(C)C	2084359175	SCIDBSQLJRZFBN-ZFWWWQNUSA-N	249.442	4.680	0	10	BJAE	
CC(C)[C@H]1CC[C@H](Nc2cccc(C3CC3)c2)C1	2085245086	QNDRNRLMCKQHMS-YOEHRIQHSA-N	243.394	4.801	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(N)CC[C@H](C(C)C)C2)CC1	2085306981	FETKSYGPNWXENR-HLLBOEOZSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)[C@H](C)CC	2213574297	RQIDZLOXYTYVOG-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC[C@H]1CC(=O)c1ccc2sccc2c1	2215114067	OMGRSDMBTHTFHT-QWRGUYRKSA-N	244.359	4.520	0	10	BJAE	
CCCC[C@H](C)[C@H](CC[C@H]1C[C@@H]1C)NCCC	2215301692	OJDSMESJLHWCNT-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H](O)CCCCCCCCC1CC1	2216877503	MXGAHNOJOUBBJB-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CC(C)(C[C@](C)(N)[C@]23CCCC[C@@H]2C3)C1	2221034318	PPYDONXPGJTGCZ-COXVUDFISA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@@](C)(NCC2(C)CCCCCC2)CC1	2221600249	IZCQCTLDWJJOKZ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
Cc1cc(Cl)c(Cl)c2ccc(Cl)nc12	2241457365	OUUMBAMGEAXCBV-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCCC(C)C)NCC	2244779545	DNNGGAHQIRGNOG-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)[C@@](C)(N)CC[C@@H]1CCCCC12CC2	2246619715	GLQFHOLFJYMDIG-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CC(O)(CC[C@H]2CCC[C@@H](C)C2)C1	2246687672	QAYTYGISFXWSOT-WXLSXGNJSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@H]1CCC1(C)C	2247307575	NHFBUDHMQMVOLH-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2CC23CCC3)cc1Cl	2248292096	QQKFDMJKVYIFLW-YPMHNXCESA-N	249.785	4.639	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C(F)F)[C@H](C)CC	2250112406	NZMGJHZKJSELCE-JHJVBQTASA-N	249.389	4.615	0	10	BJAE	
CC[C@@H]1CC[C@@H]1NCC[C@H](C)CCCC(C)C	2250514600	QSPZDQWETWTZIS-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)CC(C)(C)F	2250516811	LMVZWDUMGWTMFM-KBPBESRZSA-N	245.426	4.695	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@]12CCCC[C@@H]1CC2	2251127352	UCCSJKDEUKMJGM-GDBMZVCRSA-N	234.383	4.662	0	10	BJAE	
CC(C)(C)CC1CC(COc2ccccc2)C1	2251579428	MKCIAWMCDLYREP-UHFFFAOYSA-N	232.367	4.528	0	10	BJAE	
CCCC[C@H]1[C@@H](NCC)C(C)(C)CCC1(C)C	2251722798	UMBFMGIXDDKIQR-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC1CC(C)C1)CC(CC)CC	2251754831	IQTTUNLLDKHQIB-BCLQGDPASA-N	239.447	4.617	0	10	BJAE	
O[C@H](C[C@@H]1CCCCC12CC2)C1=CCCCCC1	2253803232	VJIDVTRSRCVTEE-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1	2253938748	NSTWOXVKDZYINV-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CCNCC1(CC[C@@H]2CCCC23CC3)CCCC1	2255256906	SDBLVRLWKNQABE-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1CC[C@@H]1CCCC12CC2	2255267772	QMTVAXHHMOMYJY-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1NCC1CCC=CCC1	2256115115	MOORVOFXENBBDV-UHFFFAOYSA-N	247.357	4.546	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC1(C2CCC2)CCC1	2257343000	VAAGFEMFWVPEQX-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@@H](C)C2CCCCC2)cc(C)c1C	2258238859	RCQPJPYJHWIDLB-HNNXBMFYSA-N	245.410	4.993	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cc(C)c(C)c(C)c2)C1	2258239047	PLEAIGSHAVJAEH-HZPDHXFCSA-N	245.410	4.993	0	10	BJAE	
Cc1cc(NC[C@@H](F)C2CCCC2)cc(C)c1C	2258249206	UFZWBCIXEFNAFM-MRXNPFEDSA-N	249.373	4.552	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@@]23CCC[C@@H]2CC3)C1	2260500230	JGHTWROSICMOPO-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@]12CCCC[C@@H]1CC2	2260513344	TZQXEBAOJVZNSM-JKIFEVAISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C[C@H]2C2CCCCC2)C1=O	2261436545	RCSVFXRQSIBMLW-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CCC[C@H](N)c1cccc(C)c1	2300683113	GIVVKJBTMHHNMH-INIZCTEOSA-N	233.399	4.601	0	10	BJAE	
CC=CC[C@H](NCC)[C@H]1CC[C@H](CCC)CC1	2300876018	BFOXBZXFBKCQMO-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C(C)C)[C@H](O)CC1CCCCCC1	2301135947	QSXYVFXDJMWUIH-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccc(F)cc1NCc1cccs1	2301913526	SPBVCPLYDNUKMK-UHFFFAOYSA-N	249.354	4.623	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)C[C@@H](C)C1CCCCC1	2301916377	BUFURYRWYSYXNM-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)NCCCC1=CCCCC1	2302315421	JAERFMVQOBYULM-UHFFFAOYSA-N	237.431	4.825	0	10	BJAE	
CC=C(CC)[C@H](CCC[C@@H]1C[C@@H]1C)NCCC	2302607840	CRVHJRWQPNDYLQ-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCC[C@H]2C[C@@H]21	2302850142	RXJINJVEHFTCRS-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](CC[C@@H]1C[C@H]1CC)NCC	2303569340	PPNXULCNFBSYRS-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cccc(C(C)C)c1	2303658273	GWDMUGKXSGHPIA-BBRMVZONSA-N	234.383	4.670	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@](C)(N)C2CCCC2)C1	2304448137	VJAYECATKMBNHH-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC1(c2nc([C@@H]3CC34CCC4)cs2)CCCC1	2304487171	PGUQIRLDCGLRSG-NSHDSACASA-N	247.407	4.632	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)CC1CCCCCC1	2307900617	GILIRSZWOAYXFK-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	2308399655	CSBBVRCOWWQGTH-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2CCC[C@@H]3C[C@H]23)CC1	2311021612	XAXVBWNWTXGGBF-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)[C@@H]2C[C@H]2C(C)C)cc1	2311503031	XUOZIRFPRUWNPJ-ZFVVBOAOSA-N	246.394	4.526	0	10	BJAE	
CC[C@H]1CC[C@@H](N[C@@H]2C[C@H]2C2CCCCCC2)C1	2311538569	CVAJNQWWBAZBQM-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)c1ccc(C)c(CC)c1	2314647895	GKWBLBFZGGBDRN-PBHICJAKSA-N	247.426	4.644	0	10	BJAE	
CCC(CC)CCCC[C@@H](NC)c1ccccc1	2316252717	PLFKAAVRPMDWEW-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
N[C@H](CCC1CCCCCC1)c1ccccc1F	2316887026	UMWWDVVJFXLDPO-MRXNPFEDSA-N	249.373	4.576	0	10	BJAE	
CCCC[C@H](N[C@@H]1[C@@H](C)C[C@H]1C)c1ccccc1	2316951878	FXUZYXLEHREYTL-HDEZJCGLSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317039136	AUFYRJNVHLAMRT-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CCC[C@H]1C[C@H]1C	2317531796	CLYRZONUMBDNGA-YPMHNXCESA-N	245.341	4.525	0	10	BJAE	
O=C(CCCC1=CCCCC1)C[C@]12CCC[C@@H]1C2	2318518910	NAKLSCINPRMTNJ-NVXWUHKLSA-N	246.394	4.807	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@H]1NCCCC1=CCCCC1	2318529527	RCFBSUVJTQSJBJ-HLLBOEOZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)CC1CCC1	2318576086	LSZYATBTEXMEEU-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)[C@H]2CCC3(CCCC3)C2)C1	2319318207	CNVXVBQXTGOXNQ-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCCC[C@@H]3C[C@H]23)c(C)c1	2319337582	SAHPVRVCNGDWRB-PMPSAXMXSA-N	243.394	4.602	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CCC[C@H]2C(C)(C)C)CC1	2320388954	VZPPNQNSGGMHFP-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)C2CCC=CCC2)CC1	2320399711	SZKYESLFYYKHCP-INIZCTEOSA-N	247.426	4.554	0	10	BJAE	
CCC[C@@H](N[C@@H](CC1CC1)C1CC1)C1CCCC1	2320518014	ZDNXLFIFYJEIFD-SJORKVTESA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](CCN2CCCC23CCCC3)C1	2321587918	QEVKTVRNSVZCQD-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CNC)c1ccc(C)cc1	2328195503	DVZCROBRWZLRQU-NVXWUHKLSA-N	247.426	4.514	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1C2(CCC2)C12CCC2	2328290319	DEAKCPDFGNDISX-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1OCc1ccc(Cl)cc1	5548866	SBIYBQKVGXHRLX-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCC1=Cn2c3ccccc3c3cccc(c32)C1	19891496	ZYUHUIZCHWOEMV-UHFFFAOYSA-N	233.314	4.602	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)C(C)(C)C)cc1	35469031	IUGVMYWRDWUGEH-SWLSCSKDSA-N	233.399	4.507	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1c(C)c(C)cc(C)c1C	35491251	XDWAGEORLOHXJU-HNNXBMFYSA-N	247.426	4.617	0	10	BJAE	
CCCCCCOc1ccc([C@H](C)CC)cc1N	66140928	DVMZMJFJNWSZAX-CYBMUJFWSA-N	249.398	4.741	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)c2cc(C)ccc2C)C1	71153841	IXIRJNRFGGUPDP-INMHGKMJSA-N	246.394	4.553	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NC[C@@H](C)C(C)C)cc1	81044561	XHQARQAQSCWTBP-HUUCEWRRSA-N	247.426	4.753	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)c1csc(C)c1	83452278	BQNXWHRJDSURTM-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC(=O)c1cccc(S[C@H]2CCC[C@@H](C)C2)c1	84122214	XXUKNYNSHGJUGO-RISCZKNCSA-N	248.391	4.560	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1	85030577	PTKNMQBHMQPCHC-XJKCOSOUSA-N	244.378	4.504	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC[C@H](C)[C@@H]1C	85098719	SDNCXMVESOPDSY-NOLJZWGESA-N	245.410	4.794	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(C)o2)CC1	86899618	UTZIFOFGHRHHEA-ZNMIVQPWSA-N	249.398	4.598	0	10	BJAE	
CCCCCCN[C@H]1CCC[C@@H](C(C)C)CC1	86923291	BWOQWTHDQMSUDM-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)c([C@H](N)C2CCCCCC2)cc1C	87947170	CZFDTSWMMAQHJF-QGZVFWFLSA-N	245.410	4.582	0	10	BJAE	
Cc1ccc(CNc2c(C)cccc2Cl)cc1	90521970	FVDNZITUGDMYFP-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Sc1cccc(C=O)c1	90870220	ZTINHZJFPFFTRJ-DZGCQCFKSA-N	248.391	4.560	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccc(C(C)C)cc1	103933709	ZOQXLEXOJBSQFS-CYBMUJFWSA-N	232.367	4.819	0	10	BJAE	
CC(C)C1CCC(N[C@H](C)c2ccccc2)CC1	109746278	YAALGTDCMZILDF-HPUBIQBYSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](CC)CNc1ccccc1OCC	110154493	LPCVJGMWLTXTCI-AWEZNQCLSA-N	249.398	4.714	0	10	BJAE	
CCCCCC[C@H](N)c1cccc2ccccc12	112897558	WDIHTVMKPNESKG-KRWDZBQOSA-N	241.378	4.810	0	10	BJAE	
CC1CCC([C@@H](O)CC2CCCCCC2)CC1	124340114	YJUOPMZOJODJRD-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](NCCC)c1sccc1CC	124691924	WBSLPKTYDLEESJ-ZDUSSCGKSA-N	239.428	4.541	0	10	BJAE	
CCCC[C@H](C[C@H](C)C(C)(C)C)NCCC	124706559	IWQJIDIUZXOWLQ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC[C@]1(CC(CC)CC)CCCCCN1	128178098	FLBYIGKRTBVCCE-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC1(CNC2CCC3(CCCC3)CC2)CCCC1	129393802	TYBBUIXYHKOXKA-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)[C@@H](C)CNCCC	132977352	MAAOUPPFQHSSQA-HRCADAONSA-N	241.463	4.865	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)c1ccccc1CC	162385563	BCCHDKQDUOURDR-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CCCCC[C@@H](C)Nc1c(F)ccc(C)c1F	214859721	UBIJTGSORVGXLP-LLVKDONJSA-N	241.325	4.654	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCC[C@@H](N)C1	227157353	QYJOZEQEXMCUDJ-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](C=C(C)C)c1csc2ccccc12	229746238	MPKMWFKODYAPPO-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
CCCCCCN[C@@H]1CCC[C@H](CC(C)C)C1	230766326	JYKHJXPUPGXZQE-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC1CCC([C@H]2CNc3ccc(Cl)cc32)CC1	232821010	VZTBJUSADNQIHU-QIMFLAQGSA-N	249.785	4.675	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@@H](C)c1ccccc1	233123264	SOPSXCMNFPTGOW-RDJZCZTQSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H]1CC[C@H](CC)C1	250347563	BYTQHZATBAKFRR-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CNc1ccc(-c2cc(C(C)C)ccc2C)cc1	259144872	HVCSXJYSWUDTOZ-UHFFFAOYSA-N	239.362	4.827	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCC23CCCCC3)[C@H](C)C1	299956660	QSWYUUULYNPRFK-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](O)CCC1CCCCC1	302252412	LFTQQFAOYMIKFC-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@H]1CCC[C@H]1CCCC(C)(C)C	302260911	FAXPUVVTGXBDPO-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)c1ccccc1O[C@@H]1C[C@H]2CC[C@H]1C2	302431779	SFQLRGLVCPFNIM-HEHGZKQESA-N	244.378	4.552	0	10	BJAE	
CCOc1cc2c(Cl)cc(Cl)cc2s1	306559526	QIHKGTDRDUKKQU-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)[C@@H](C)C[C@@H](C)C3	307983604	IPRHSGVCDREAPX-NEPJUHHUSA-N	241.378	4.977	0	10	BJAE	
CCC(CC)[C@@H](C[C@H](C)C1CCCCC1)NC	310204900	BMVHXPCNINWIEY-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCC[C@@H](N)C(C)(C)C)C1CCCCC1	310334394	MJLRKBWROWGHCI-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CC1CCC(CC[C@@H](C)CNC(C)(C)C)CC1	310507880	KYQWCYLSNILMEQ-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCc2cc(CCCC(C)(C)C)ccc2N1	310574872	ISCXFXKUFHYLAW-ZDUSSCGKSA-N	245.410	4.802	0	10	BJAE	
CCC[C@H](N[C@H](C)c1ccc(C)o1)C1CCCC1	313416805	VRPCHONYFWFUPO-HIFRSBDPSA-N	249.398	4.598	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C[C@H](C)CC[C@@H]1C	383161669	JAXMHFSDYUBWDF-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CC[C@@H](C)C1CCCCC1)C(C)(C)C	384178194	YLWRSOKOTGRULU-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1csc(-c2ccc(C)s2)n1	384228174	FRMGAUMIPXTLTL-QMMMGPOBSA-N	237.393	4.694	0	10	BJAE	
CC(C)(C)CCCNc1ccsc1Cl	387326649	CJOCQRYQUXHDNT-UHFFFAOYSA-N	231.792	4.640	0	10	BJAE	
CC(C)(C)c1ccccc1NCCCC1CC1	394678228	WYUPIXLBIMOISZ-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCCC23CCC3)cc1	394768512	KKKSWIDKNOLTEX-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CCC1([C@@H](O)C[C@@H](C)c2ccccc2)CCCC1	395246721	MNPPOWSTEZVQOB-ZBFHGGJFSA-N	246.394	4.512	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1cc(C)c(C)cc1C	395248325	XMAPESUTTXICHQ-MRXNPFEDSA-N	248.410	4.862	0	10	BJAE	
CCc1csc2c(F)ccc(C(F)F)c12	396206218	ZSUHFNYUMVWYAA-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cc(S)c2cc(C(F)F)sc2c1	396241048	LNMMOBTXRNLPCR-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@H](C)C2CCC2)cc1	398517362	KRGQZZVQTBALMC-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H](CC)Nc1cc(CC)ccc1CC	689595649	JXAWMUSDTDAKHQ-HNNXBMFYSA-N	233.399	4.802	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCCC[C@H]1C	691187348	OTXDYCVQJVEBDF-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C(=O)c1ccc(C2CCC2)cc1)C1CCC1	692795621	OCIKKSYOYBEVJU-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@@H]1CCCC2(CC2)C1	695955705	JWTFDYKSKWLDSF-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@@H]1CCCC2(CC2)C1	695980910	BNWRKRJTTRDUOI-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCc2ccccc2C1=O	696742735	ZRQFMMHYVMYECT-AWEZNQCLSA-N	244.378	4.648	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CC2CCC1CC2	697775731	VKBHLLFJVWTUBK-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1ccc(C)c(C)c1	697775917	WPYNBZCMIDVQLD-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC2CC3(CCC3)C2)CC1	700793797	JWPBKURCZQPTQU-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1ccc(C)s1)C(C)(CC)CC	701137649	TUETVTLOENNOKY-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@H]1C[C@H]1CC	701453577	AFOAFEYBDCSHEU-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CCC[C@](N)(CCCC(C)(C)C)[C@@H]1CC1(C)C	704473349	JPQOPERLXUYHES-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC[C@@](N)(C[C@H](C)CC(C)(C)C)c1ccccc1	709140008	FBMKTSNISRNSGK-RHSMWYFYSA-N	247.426	4.713	0	10	BJAE	
Cc1cc(N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)cs1	710730323	ZQHCHMLIIAFBPW-NJZAAPMLSA-N	249.423	4.683	0	10	BJAE	
CCc1cccc(CC)c1NC[C@H](C)C(C)(C)C	710752196	IFDGPWBLQULYAY-ZDUSSCGKSA-N	247.426	4.906	0	10	BJAE	
C[C@@H](C[C@@H]1CCNc2ccccc21)C(C)(C)C	711137556	WUJNNRSUKCUIPE-STQMWFEESA-N	231.383	4.658	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CC(C)(C)CC[C@@H]1C	713051585	UWMLSDSFHDSUEE-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCCC(C)(C)CC1	713229045	AQIIKNPRZRPVOC-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714397891	VBLROXCQTHRDME-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1CC(NC2CCC3(CCCC3)CC2)C1	714689922	MBOSASVPPXACNY-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)C(=O)CC[C@H]1C[C@H]1C1CC1	714864038	DHNLQSOSMMMHLB-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H]1CCCCC1(C)C	718591580	DHNRYJSVCZVCHW-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
Cc1cc(C)c([C@H](O)CCCC(C)(C)C)s1	719414265	JWGOPCATWFDYPF-GFCCVEGCSA-N	240.412	4.615	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC(C)(C)c1ccccc1	721709580	JLUZPHPHLXBYFK-OAHLLOKOSA-N	248.410	4.542	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C[C@H]1CC1(C)C	722558525	MNPZXHOEECLTHR-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
Cc1csc(C)c1C(=O)[C@H](C)CC(C)(C)C	724989914	SUIYKSPLDNBKFT-SECBINFHSA-N	238.396	4.620	0	10	BJAE	
CC(=O)c1cc(-c2ccc(C(C)C)cc2)cs1	1244626724	QFWKPFAXRWJKOH-UHFFFAOYSA-N	244.359	4.741	0	10	BJAE	
CC1(C)CC[C@@H](NCC2(C)CCC3(CC2)CC3)C1	1875732435	UQZPHDZTRFIKDN-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(CN[C@H]2CCC3(CC3)C2)CC1	1876380896	UYOVALMXGHZLBY-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@H](C)CC1CCC1	1899378099	MCYFSANUJRWDSX-LLVKDONJSA-N	238.758	4.606	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)CC=C(C)CC	1900872291	VVJDGIRRWMKTTP-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC(C)(C)CCc1nc([C@H]2CC2(C)C)cs1	1901906847	FWRJZBQQVLSAIA-SNVBAGLBSA-N	237.412	4.635	0	10	BJAE	
CCc1cscc1NC1[C@H](C)CCC[C@H]1C	1902377844	YPRYJYSBMSGNDW-GHMZBOCLSA-N	237.412	4.547	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCC(C)(C)C1	1905301495	GEKBPJZPINFZLZ-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@](O)(CC)CCC(C)C	1905384666	XVFRBGRAVVTQPM-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CC(C)(C)CC)NC	1905451770	APIODRPJJCKGTL-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)C[C@H](C)CC	1908553471	AVFDCTWRLJFQED-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	1917349111	GOCIUEJIDWSGNY-DPAVQSFQSA-N	243.394	4.801	0	10	BJAE	
CCCCCC[C@](C)(N)CC(C)(C)C(C)C	1920187076	DMGNJIUUHRUZFN-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@@H](CC)CC1(CN)CC(C(C)C)C1	1921204153	SPBVXTBYYPNOKH-QQFBHYJXSA-N	239.447	4.604	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCCC12CCC2	1921489220	IZZQRBNMOOKEJA-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
NC[C@@H]1CCCC2(CCC2)[C@@H]1CC1CCCCC1	1924837029	JQDVVPPQEONSFE-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1CCC[C@H](C)CC1	1939899151	NHPQPKGISNBKTQ-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@H](O)[C@H]1CCCC(C)(C)CC1	1939900163	OFKNHTQNKUVRND-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(O)CC1(C)CCCCC1	1940409704	PKETYAXYHOSUQZ-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCCC(=O)c1ccccc1C(C)C	1940624912	HKOJVXUXRNDODS-UHFFFAOYSA-N	230.351	4.739	0	10	BJAE	
C[C@@H](CC(=O)c1csc2ccccc12)C1CC1	1940716295	AQQXHNHUYFATCU-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
CC[C@H](C)[C@](C)(O)C1CCC(C(C)(C)C)CC1	1941143588	CSEXEASONPYSGF-USPMSXPRSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@H](CCC)C(C)C	1941264581	SHKJXKVUTYGYPJ-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)C[C@@H](C)C(C)(C)C	1941271883	GKXPQCACOAPFHU-RBSFLKMASA-N	241.463	4.704	0	10	BJAE	
CCN[C@H]([C@H](C)CCC(C)C)C(C)(CC)CC	1942654181	YCJSCEIPAJOULZ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CCC[C@H](N)C(C)(C)C)C1	1944206293	XKBUDARBRXEPQD-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)c2csc3ccccc23)C1	1945600698	VJOKAABOBQOUAU-GHMZBOCLSA-N	244.359	4.520	0	10	BJAE	
CCCCC[C@@H](C)NC1CC(C2CCCC2)C1	1945964448	XURUBMZIRZXRFD-IUDNXUCKSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CNC1CCCCCCCCC1)C1CC1	1947879805	CWYXKPUBFWXBRT-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CC2(C)CCC2)CC1	1948972800	KVXQINMHGNZHBD-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CCC[C@H]1CC1(C)C	1949051835	RPZSOAKXEYIXPW-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC12CCCCC2	1950604435	KIUBBMHRNRHZCZ-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C)CCNC[C@@H]1CCCC(C)(C)CC1	1950918293	JFTJTGUVYIAQNZ-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)[C@@H]1CCC[C@@H](C)CC1	1950929933	LGOPPHWYPPVFNU-QXSJWSMHSA-N	239.447	4.602	0	10	BJAE	
CCC=CC[C@@H](CCC)c1cccc(OC)c1O	1951309337	XOSSFMINYZKADF-CYBMUJFWSA-N	248.366	4.641	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CC[C@H](C(C)C)C1	1963153416	HNYSGFUMVDCUKB-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CC[C@@H]3CCCC[C@H]32)C1	1965989198	UYBXEMONNGORLX-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@]2(C)C=CCCC2)CC1	1966037440	ILOMHCFYETXSKH-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(NC(CC2CC2)CC2CC2)ccc1F	1968592636	XHQSQGCSICZEGK-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCc1cc(N[C@H]2CC[C@H]2CC(C)C)ccc1C	1969679128	HLYMIDUQSRVRSE-RDJZCZTQSA-N	245.410	4.794	0	10	BJAE	
C[C@H]1C[C@H](C)N(C[C@H](C)CC(C)(C)C)[C@H](C)C1	1970138910	PFBASYAIUOTXGF-TUVASFSCSA-N	239.447	4.568	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC3(CCC3)C2)cc1C	1972023750	VETIYUCALSTZNP-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
c1cc(NC[C@@H]2CCC3(CC3)C2)cc(C2CC2)c1	1972461225	QTVZPIPLCOEOHN-CYBMUJFWSA-N	241.378	4.556	0	10	BJAE	
CC[C@H](CN[C@H](c1ccccc1)C(C)C)C(C)C	1973383071	BPNHJZPZXFRXPC-WBVHZDCISA-N	247.426	4.656	0	10	BJAE	
CCC1CCC(NCCC23CCC(CC2)C3)CC1	1973944965	ALACSFPLYYTTHB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](CCC=C(C)C)NC	1978525649	MBWKRITXYBBDAA-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCC1(CC)CCc2nc(C(C)C)sc2C1	1981066725	XXZZOKLUKCUIOV-UHFFFAOYSA-N	237.412	4.562	0	10	BJAE	
CCCC1(CC(=O)[C@@H](C)CC(C)C)CCC1	1988425126	FEDOFGCLMFQWNH-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCC1(CC(=O)c2sc(C)cc2C)CC1	1990601867	NUKAVWLMTDMZBB-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCN[C@H](CCC)CCC1(CCC)CC1	1990632937	JGPNETSUNXPWRK-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@H]1CCCC(C)(C)C1	1994026222	ODBZEBSFPVRBLV-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCc1coc2c([C@H](C)CC)cccc12	1995443685	BPKTXUWHRZUUFR-LLVKDONJSA-N	216.324	4.899	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@H](C)C1(C)CCCCC1	1995990061	DOOMKSNTLBUAIT-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC[C@H](NC[C@@H]1CCC[C@@H](CC)CC1)C(C)C	1997100014	KVHSSZJKSQWIOA-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1cccs1)[C@@]1(C)CC=CCC1	1997547367	WNLFGORECFQCOY-CABCVRRESA-N	249.423	4.535	0	10	BJAE	
C[C@@H](C[C@@H](N)CCC1CCC1)C1CCCCC1	1998030621	SNWFCIFXKFQKRZ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCCCCC1(CNC)CC(C(C)(C)C)C1	1998239701	PLOMGKJFEMNNBH-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C1=C[C@@H](CCc2ccc3ccccc3c2)CC1	2002888553	ORHHJTACYMSHMA-CQSZACIVSA-N	222.331	4.739	0	10	BJAE	
CC1(C)CCC[C@](CN)(CC2CCCCC2)C1	2002974594	RBPZNSRSHJHXGZ-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@]1(CC2CCC(CC)CC2)CCCN1	2009067686	REKHFRLTCHMZEG-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCC1(C)CC1)NCC	2009550303	ZDLLRBLPNCDOPO-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC=CCCC[C@]1(N)C[C@@H](C)CC[C@@H]1C(C)C	2009568915	JCCSKOYAJTVNNC-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
C[C@@H](C[C@@H](N)C1=CCC(C)(C)CC1)C(C)(C)C	2010761022	FBCGQYRIEVPQOQ-GXTWGEPZSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](NCCC)C12CCCC1CCC2	2012120380	NFBQZBJOBNPSSN-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC12CCC(CC1)C2	2012804004	PJSLGSKRYLEONO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@H]1CCC2(CC2)C1	2013270707	KWTULBOZVYQJIA-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C(=O)c1sc2ccccc2c1C	2014307100	URJNXBXCXNRWGB-SNVBAGLBSA-N	246.375	4.829	0	10	BJAE	
CC(C)(C)CC1CC(O)(CC2(C)CCCC2)C1	2014669834	VEYUJCHCLDXUQA-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
Cc1cc([C@H](N)CCCCCC(C)C)oc1C	2015328472	YXYCMNIQBQRXRD-CQSZACIVSA-N	237.387	4.503	0	10	BJAE	
CC(C)[C@H](C)C[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2015410852	DWBMADSTAAHEDN-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CCC1(CC(=O)[C@H]2CC(C)=C[C@H](C)C2)CCC1	2015599102	GPOKZFDDLZBQIK-GXTWGEPZSA-N	234.383	4.518	0	10	BJAE	
CCCC1(C[C@H](NC)C(C)(C)CCC)CCC1	2015634690	KZRBWRPNFFLTTG-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CC1(C)CCCCC1	2016143054	CWYWEEPZAYMQRG-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
S=c1cc[nH]cc1-c1cccc2ccccc12	2017186387	XYZMDBOSVCPFQI-UHFFFAOYSA-N	237.327	4.564	0	10	BJAE	
CC1(C)CCC(N)(C[C@H]2CC[C@H](C)CC2)CC1	2017723241	SQMJILXWXHTJBR-HDJSIYSDSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@@H](N)C2CCCC2)CC1	2017730836	LIJPTZYRWGXKCL-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(CC(=O)C2CC(C)(C)C2)CC1	2017768768	RBRQQGBMTXAYBY-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CCCCCC1CC1	2017789093	YCDFIUWTKZIBNE-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](CC)N(C)[C@H]1CCC2(CCCC2)C1	2018183315	WXOHFQVDYFYSNS-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CCC[C@H](CC)N(C)CCC(C(C)C)C(C)C	2018188299	LPWJYIDTNWSXGS-HNNXBMFYSA-N	241.463	4.815	0	10	BJAE	
CCCC[C@H](CC)N(C)CCC1CCCCC1	2019198430	HSTPBHLMMCWRHE-INIZCTEOSA-N	239.447	4.857	0	10	BJAE	
CC(C)C(=O)CC[C@H]1C[C@@H]1C1CCCCCC1	2022555550	YGMJCSCBZSCHFW-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@]1(O)CCC[C@@H]2CCCC[C@H]21	2022991271	HDEBQURRLUNVPD-XHSDSOJGSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(C)c(-c2ccc(N)c(C)c2Cl)c1	2023976596	WHINHVRYRLCQOF-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC(C)NCCCC1CC(C)(C)CC(C)(C)C1	2024100665	DWPDHALMYCRICF-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CCC[C@@H]2CC2(C)C)C1	2024126939	ZFVFXESLICUWAW-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)c1cocc1C	2027302588	WKDJSUPSJVNGAS-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2C[C@@H]3CCC[C@H]32)cc1	2027320033	QTSNWQXGTMXGTB-APHBMKBZSA-N	243.394	4.585	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)CCCC1CCC1	2027519032	YLVOWEKLHYDQEI-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CCCc1ccccc1CN[C@H](C)C[C@@H](C)CC	2027902507	ZPXHYAQSQUSFDB-LSDHHAIUSA-N	247.426	4.553	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1)[C@@H](CC)C(C)C	2028260679	FEBNNNUWNIBDPB-DLBZAZTESA-N	247.426	4.636	0	10	BJAE	
N[C@H](c1ccc(C2CC2)cc1)C1CCCCCC1	2028590223	HQMORLPQRVFQDS-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CC1(CNCC2CCC=CCC2)CCCCCC1	2028876935	AJWQINTWQCEDFT-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CC1CCC=CCC1	2028908974	WVHRGUHIKNYOSW-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccc(NC2C[C@@H]3CC[C@H]3C2)cc1	2029081777	XIYJTPVDAAELIX-STQMWFEESA-N	243.394	4.585	0	10	BJAE	
CC(C)(C)[C@](C)(O)c1ccc(C2CCCC2)cc1	2031748000	ZEWYDWGBVCKNCW-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(N)CC(C3CCCC3)C2)C1	2033780842	DCOBFBHPJYJNMU-VBJONLRCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1C[C@H]2CCCC[C@H]2C1=O	2034259325	RLWSUQGOMBBJMY-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2C=CCCC2)CCC[C@@H]1C	2035585085	BTDKEXQBYPNHBO-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2[nH]c3c(c2c1)[C@@H]1CCCCC[C@H]1C3	2035860305	FANMWMSTMNVMAD-QWHCGFSZSA-N	239.362	4.696	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@H](NCCC1CCCC1)C2	2036663412	CTSQGPKJGZEFJA-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C[C@@H]1CCC[C@H](C)C1	2037048841	UCOZMKKXKIZDKM-MAZHCROVSA-N	245.410	4.520	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1ccc([C@H]2C[C@@H]2C)o1	2037137312	PMWYZHSZWWURON-RWMBFGLXSA-N	249.398	4.619	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C[C@H](C)c1ccccc1	2037139111	XFUWZZPXDPENAK-GOEBONIOSA-N	247.426	4.724	0	10	BJAE	
CC1(C)CC(CCN[C@@H]2CCC3(CCCC3)C2)C1	2038096238	YMZVOHUBAJMDGX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c2[nH]c(C34CCC(CC3)C4)cc2c1	2039848798	ZCWGZHQJRQIBAK-UHFFFAOYSA-N	239.362	4.616	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CCC=CCCC2)CCCCC1	2045319392	CZKBHMHAOGNCJX-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC[C@](C)(CNC1CC1)C[C@@H]1CCC=CCCC1	2045323258	KYHJAMFVDMEULG-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccc([C@@H]2C[C@H]2C)o1	2045559038	RDBWFQAIUUQBCO-VXGBXAGGSA-N	248.366	4.802	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2C(C)=CCC[C@@H]2C)C1	2045681662	BWOFCNNMMUMURP-FZKCQIBNSA-N	248.410	4.764	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@H]1CC12CCCC2	2047006901	DYVDUAYYGPQDGZ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@@H]2CC23CCCCC3)[C@H](C)C1	2047057785	DAWGWUJAHSSYKB-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CC=CC1)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047427399	NXURUHSIKCZZRB-OWCLPIDISA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048471862	QCHCOARQKJBETL-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)[C@H]2CCC[C@H](C)C2)c1	2049536491	LXCXIPLZJRFYGC-MAZHCROVSA-N	245.410	4.930	0	10	BJAE	
C[C@@H](NC[C@H]1CCC2(CC2)C1)C1CCCCCC1	2049857677	SYNOAXUMOKDCRF-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)c2ccc(F)cc2)C1	2050494384	IQQJZZAJJVMNOD-LBPRGKRZSA-N	248.341	4.615	0	10	BJAE	
CC[C@H]1CCC[C@H](CC(=O)c2cccc(F)c2)C1	2050495551	VHAPGUZHZCZJIB-STQMWFEESA-N	248.341	4.615	0	10	BJAE	
CCCC[C@H](N[C@@H]1C=C(C)CC1)c1ccccc1	2055843257	YJHWTUXBQVOPGY-IRXDYDNUSA-N	243.394	4.616	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@H]2[C@H]3CCC[C@H]32)CC1	2056537164	UXOCDVPGWAUOBA-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C[C@]2(N)CCC3(CCCCC3)C2)C1	2056639470	GYQGVCXKDCACFV-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1CC(CC(=O)[C@H]2CC23CCCCC3)C1	2056666953	YMYKOWVFYGEKNA-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@@H]2CCC[C@@H]3C[C@H]23)C1	2057356457	DHQJGGVDDHFOOR-RUCLQGLUSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H]1CC2CCC1CC2	2059256447	PBFUNYJBYXYRIW-RXUHXGRYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)C2CCC(C)CC2)CC1	2061098826	LFUDRGOUKPEPLP-BJDYSFLHSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@](C)(N)CCC2CC2)CC1	2061113604	PVRQDRIPLGJOGP-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
N[C@H](CC1CC(=C2CCC2)C1)C1CCCCCC1	2061703597	HDVDSWAVBIXWDD-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNc1ccc(C(C)(C)C)cc1	2062650523	DWCKYNYKQMYLKC-KBPBESRZSA-N	245.410	4.832	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2C[C@@H]3CCC[C@H]3C2)CC1	2063537136	ZRRPBNWMIZOUPT-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C12CCCC1CCC2	2063822626	UTQJXJKWOHYEOW-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@H](N)CC12CCC(CC1)CC2	2065280215	RUZDCPABOBNQIE-TXOGFHGLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@H]1CCCCN1)CC12CCC(CC1)CC2	2065340185	SUYWSXNKDGUMBH-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)C[C@@H]1CC12CCC2	2069180472	YHZYSQFMPKJCSL-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@@H](N)[C@H]2CCCC3(CC3)C2)CCC1	2071950873	QTQARSMQKVIASL-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@@H](N)C2(CC3CCC3)CC2)CCC1	2071954167	SQJKLUOLZNTQNW-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@@H](O)C2(C(C)(C)C)CCC2)c1C	2071969857	WVEJNXPXHZXUFB-OAHLLOKOSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC1CC2(C1)CC21CC1	2072237780	ZVJTURXZBPYSTF-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@]1(C[C@H]2CC[C@H](C)CC2)C=CCCC1	2072797785	CMTQPQTXKLRWFM-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC(C=C2CCC[C@@H](CN)C2)CC1	2072815531	NDUZJIZZLAUNPU-VMBOVVBDSA-N	249.442	4.668	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]2C2CC2)CC1	2072881363	IIVDAGMOVGYJQD-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CC[C@H]3CCC[C@@H]32)c1	2077265656	YYJPLUHDIUMQLZ-ISTRZQFTSA-N	241.378	4.555	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H]1C[C@H]1CCC	2079840720	DQZAHBYVGVASPE-CABCVRRESA-N	244.378	4.648	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C[C@@H]1C1CCCCCC1)C1CC1	2079852638	RRXHTKOBTDAXML-APHBMKBZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@]1(N)CCC2(CCCCC2)C1	2079868196	YPXKKRQFECUTCX-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@]1(N)CC(C)(C)CC2(CC2)C1	2079886520	OWRVDSUZHUROKO-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2081779027	LKJNYBUBHRCUPD-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCc2cc(C[C@@H]3C=CCCC3)ccc21	2082280559	YMSVCBAZHDVPKV-CQSZACIVSA-N	240.390	4.809	0	10	BJAE	
CCC1(C[C@H](O)c2cc(C)cc(C)c2C)CCC1	2082942522	RXJDWKCHFJTNHK-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)C[C@@H]3CCCC[C@@H]32)C1	2082982425	KUMBQFCAZVUQHY-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N(C)[C@H](C)c2ccccc2)C1	2085290053	GMBPAMIENDQDAM-OIISXLGYSA-N	245.410	4.504	0	10	BJAE	
CC(=CCC=Cc1ccccc1)c1cccc(N)c1	2088271867	ZWBGONMZHPRNMC-UHFFFAOYSA-N	249.357	4.776	0	10	BJAE	
C[C@H](CC1CCC1)NCCCCCCC1CC1	2213571652	LGDLCNWZOCJYEI-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC1(O)CCCCCCCC1	2215253255	RKNUMQNCXNQQDW-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](CN[C@H](C)CC)C[C@H]1CCC[C@@H](C)C1	2217136578	OXHGSKBMAKXFML-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CN[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218330035	FVLDEVYISKBHJW-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218332601	MZBDQQHIMQCOBT-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CN(CCCCC1CC1)[C@H]1CCC2(CCCC2)C1	2218673789	XHAZHRNIVVQNDN-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1[C@H](CCCCCCC2CC2)C[C@H]2CC[C@H]1N2	2218722024	XOKADFZUMIVPQN-RKTXRCNFSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(CC/C=C/c2ccccc2)c1	2219076523	QTEBNKCYHDFJJR-UXBLZVDNSA-N	236.358	4.949	0	10	BJAE	
CCCC(C)(C)[C@H](C/C=C/c1ccccc1)NC	2219084012	XQYMBSHEKJLWKP-YHVDPYDOSA-N	245.410	4.504	0	10	BJAE	
CCNC[C@]1(CCCCC2CC2)CCC12CCC2	2220031625	WTYFXJGLENJEFE-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@@H]1CC[C@H]1C	2220517767	BYOIRZYIWOXVAQ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H]1CNC1CCC2(CCCCC2)CC1	2220606711	MYBZIPHAXIGUKN-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@H]1CC)C1(C)CC=CC1	2220883236	ZQEHHTWWJFVIGL-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1(C)CC2(CCC2)C1	2221004344	PZBOXNHXBFOWQV-DRDHIDPGSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CC1(C)CC2(CCC2)C1	2221028950	VLOHMIPLKBVEPG-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ncccc1C1CC1	2221418344	FXXJXUUSAQRFOA-CQSZACIVSA-N	246.398	4.586	0	10	BJAE	
N[C@@H]1C[C@H](CCCCCCCC2CC2)C12CCC2	2223130745	QBHYBIJSOPVXEJ-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CC2CCCCC2)C=CCC1	2223590303	VZIVYYBYRNTGRF-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@](O)(CC)CCCC[C@H]1C[C@@H]1C	2243032821	CCFWAYKNGFLESM-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(O)CCCC1	2244852958	ZRKGABUSGQQEKB-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)CC[C@H]1CCC[C@@H](C)C1	2246728287	QBTLAYGBOQWXFL-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CCCCC1CC(O)(CCCC[C@@H]2C[C@@H]2C)C1	2247123613	XSCTZHOCJDSJFA-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@@H](CC)C(C)C	2247531882	PHCMSIVORZNHPA-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](O)(CC)c1cc(C)c2sccc2c1	2248582486	RAILAGNORYUKNH-HNNXBMFYSA-N	248.391	4.607	0	10	BJAE	
N[C@@H](CCC1CCC1)c1ccc(C2CCC2)s1	2250282227	UFPZMZYGAHDKTJ-ZDUSSCGKSA-N	249.423	4.596	0	10	BJAE	
CCC[C@@H](C=C(CNC(C)(C)C)C(C)C)CC	2250372041	IUXILJOJPKFDNB-AWEZNQCLSA-N	239.447	4.783	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)C1(C)CCC1	2250479647	XCTXEABLNYIACR-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)[C@@H](C)C1CC1	2250519941	PRYROPWDDDZCBA-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CC(C)NCCCCC1CC(CC(C)(C)C)C1	2251537485	XGRHHAJMYIOANW-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2(CN)CCC=CCC2)C1	2253938641	MWTCHNKCNIPPJH-HOTGVXAUSA-N	249.442	4.668	0	10	BJAE	
CC(C)CC1(CNCC2=CCCCC2)CCCC1	2255099748	LTRAFGLKJPWASM-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNc1cccc(C(C)(C)C)c1	2257963113	RZDCKYCBURUGEB-KGLIPLIRSA-N	245.410	4.832	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CC1CC2(CC(C)C2)C1	2259572464	SOYPHMUTVOISDN-UNKKKNMRSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C(=O)C[C@@]23CCCC[C@@H]2CC3)CCC1	2260585303	ADKMRVYESRRVQC-PBHICJAKSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C[C@@]12CCCC[C@H]1CC2	2260608014	SIKMJYSWDCTJIR-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(C[C@@H]2CC23CCC3)C1	2261377236	CVPKKNFUAMRUEP-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@](C)(N)CC1CCCCC1	2298927788	WMOKCGXOMZUWML-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@H]1CCC[C@H](C)C1	2300503239	JXXPSWCJYPCCQE-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@H](O)C[C@@H]1CCCC12CC2	2300683725	MQNSIPACKSYLOQ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1CC[C@H](CCC(CC)CC)[C@H]1CC	2300687876	HJIZUGREKKQPNW-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@]1(CC=C(C)CC)CCC[C@@H](C)C1	2300861502	SHFLNHOUKVYZRI-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)CNCCC(C)(C)[C@@H](C)[C@H](C)C(C)C	2301830960	AMRDVVSETHQHRN-CABCVRRESA-N	241.463	4.577	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CCCC2=CCCCC2)C1	2302354661	UKCABIOFEBHLNQ-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC[C@@H]2CCCC[C@@H]2N)C1	2302513426	OTZZMIFTQQUHKM-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCc1cscc1NCC1[C@@H]2CCCCC[C@@H]12	2302891725	FJFRLHXPFLMSDN-CHWSQXEVSA-N	249.423	4.549	0	10	BJAE	
CCNC[C@]1(C[C@H](C)CC)CCC(C)=C(C)C1	2303469718	SDVYSMDLSGNKKI-CJNGLKHVSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CC[C@H](c2nc(C3CC4(CC4)C3)cs2)C1	2304404589	BRQLBOVDBIHEEJ-QWRGUYRKSA-N	247.407	4.704	0	10	BJAE	
CC[C@H](C)NC[C@@H](C)CC[C@H]1CCC(C)(C)C1	2304427551	GAYPMBGFLRMWRV-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](CCC2(N)CCCCCC2)C1	2304436931	UVJXHKNWUVSJKV-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@H](CC(C)C)C(C)C	2307906878	AAJQVDIGXNGCLA-ARFHVFGLSA-N	242.447	4.882	0	10	BJAE	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)C[C@H]1CCC=CCCC1	2308937109	NRINHVLMZDARRT-LJIGWXMPSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)[C@@]12CCCC[C@H]1CCC2	2311564901	LSZNJYBETCIFFB-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312944390	MRIUWMCLXSNMCB-JYYAWHABSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H](C)CC1CCC1	2313673278	PVMWLVCPMBDREF-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
CCC(C)=CCNC(C1CCCC1)C1CCCC1	2316491135	NYIHTJDDKFVQQW-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C[C@@](N)(CC1CCC1)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316880717	YODZZPLOXLAKCH-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](N[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2316887302	WQAXOFSJMXIPED-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1C[C@@H]1C[C@H]2CCC[C@H]1CC2	2317009242	INNGOEDCSDUKJV-QXKUPLGCSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CCn1c(C)cc2cc(F)ccc21	2317561375	JAZLAVZCJYYZQS-UHFFFAOYSA-N	245.341	4.835	0	10	BJAE	
Cc1cc2ncn([C@H](C)[C@@H](C)C(C)C)c2cc1C	2317828770	UOAFJXSGRSNYKQ-UONOGXRCSA-N	244.382	4.506	0	10	BJAE	
CC[C@](O)(c1ccc(C)cc1)[C@@H](C)[C@@H](C)C(C)C	2317858275	IDJPLFVWNLRQKF-YQQAZPJKSA-N	248.410	4.521	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)CCC(C)=C(C)C	2317901926	SEGACXBAZIVCQG-KRWDZBQOSA-N	249.442	4.992	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CCC1=CCCCC1	2317905276	ACXPNVJIUBDGLG-KRWDZBQOSA-N	249.442	4.992	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CC(C)(C)[C@H]1C	2318270023	JOOSZXRZTWFGHB-SWLSCSKDSA-N	244.378	4.675	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)CCCC2=CCCCC2)C1	2318543670	RHFABXLUYFXMRU-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)CCCC1=CCCCC1	2318545857	NCJIWANXALFVOK-HLLBOEOZSA-N	249.442	4.811	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)C1)[C@H](N)c1ccccc1	2319314107	SLTAQGBKHIBPEI-FMKPAKJESA-N	245.410	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H]2CCCC(C)(C)C2)CC1	2320415247	YTPBJIBRKLZQMJ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC1(NC[C@@H]2CCC(C)=C(C)C2)CCCC1	2320417717	XLHTVVSBOJUUGJ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](C)C(=O)Cc1cccc(C2CCC2)c1	2320667600	QNRQLXVKAKNKNS-CYBMUJFWSA-N	244.378	4.502	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cc(C)ccc1C(C)C	2327676837	BNHWKLQEBHNRGL-MRXNPFEDSA-N	248.410	4.978	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C(C)C)C2CC2)c1F	2327807889	NGXSBGDEPQLQHN-INIZCTEOSA-N	249.373	4.796	0	10	BJAE	
CCCCCCNc1cccc2c1CCCC2	20359748	RHPBJUQCFBFVNE-UHFFFAOYSA-N	231.383	4.558	0	10	BJAE	
CCCCCCN[C@@H](C)c1cc(C)c(C)cc1C	20562132	DJTQCBFLPOEQTH-INIZCTEOSA-N	247.426	4.843	0	10	BJAE	
CCCCCCN[C@@H](C)c1c(C)cc(C)cc1C	21502133	ONPXYLHNIRAARM-INIZCTEOSA-N	247.426	4.843	0	10	BJAE	
CC(C)C[C@H](N)c1ccc(C(C)C)cc1C(C)C	21516799	YVEKKOAPLRSBJZ-KRWDZBQOSA-N	247.426	4.979	0	10	BJAE	
CCCCc1ccc([C@H](C)NC2CCCC2)cc1	22148999	UEOYSKPIROEKHL-AWEZNQCLSA-N	245.410	4.622	0	10	BJAE	
CCCCC[C@H](C)NCc1ccc(C(C)C)cc1	35134015	LPZWTOMXTYELCF-HNNXBMFYSA-N	247.426	4.868	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(F)cc1Cl	68986088	GPBDZWQBJYZRRQ-LLVKDONJSA-N	243.753	4.860	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccccc2C(C)C)C1	80426285	MKHUKFXMYLZANJ-ZIAGYGMSSA-N	231.383	4.801	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1CCC(CC)CC1	83778220	ZXGLFQYGGVRVSX-IYXRBSQSSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](C)CNCC(C)C	84141119	JFXZPHJDXHMQJX-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CSc1ccc(N[C@@H]2C[C@H](C)CC[C@H]2C)cc1	85084096	SLLHRWKWPVXCMD-LALPHHSUSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@H](NC(C)C)[C@@H]1CCCC[C@@H]1CC	93074302	DGPXQGAPKOWRMJ-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(C)cc1F	104015509	ALXXEFNWGMNYKE-CYBMUJFWSA-N	237.362	4.762	0	10	BJAE	
CCC[C@@H](CCCN)c1c(C)c(C)cc(C)c1C	107657496	ZKLREYGNVBCWPB-INIZCTEOSA-N	247.426	4.543	0	10	BJAE	
Cc1cc(OC(C)C)ccc1NCCC(C)(C)C	109912053	HHDZHXKCZQALAU-UHFFFAOYSA-N	249.398	4.630	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](CC)Cc1ccccc1	116383542	OOVZCEMCYXJOTB-NVXWUHKLSA-N	247.426	4.566	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@@H](C)C(C)C	125274765	WZOQTBZLQMLHBE-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)c1ccc(-c2ccsc2C=O)cc1	150120422	LIURRQATJFPSGV-UHFFFAOYSA-N	244.359	4.525	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCC[C@@H]1CNC(C)(C)C	155445503	VUVSYXUEVJWVPT-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cc(N)ccc2F)cc1	164440139	MEKJLHIEQCFNBL-LLVKDONJSA-N	243.325	4.588	0	10	BJAE	
CCCCCCC(=O)C[C@@H](C)CC(C)(C)C	164723764	VESRGWOJSFYCED-CYBMUJFWSA-N	226.404	4.988	0	10	BJAE	
CCC1(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)CCCC1	166067565	BXLYFEAVZLQCRK-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](Nc2ccccc2)C1	200998029	NDQTYANKBJVZOF-ZFWWWQNUSA-N	231.383	4.703	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1CCCCCC1	229151014	AIPITZRKGSQJGG-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)c1ccc(NCc2occc2C)cc1	229473579	FZNNSQNRWKZSGG-LBPRGKRZSA-N	243.350	4.714	0	10	BJAE	
CCC[C@@H](O)c1cc2cc([C@@H](C)CC)ccc2o1	232359371	HWHUKXJIVBWTKH-SMDDNHRTSA-N	246.350	4.780	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@H](C)CC(C)C)c2c1	232627095	AYKFGTBTDGOEMV-GFCCVEGCSA-N	229.367	4.934	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(Cl)cc1C	233289440	VFFOSDCZMWYULM-GFCCVEGCSA-N	225.763	4.639	0	10	BJAE	
CCc1ccc([C@H](N)C2=CCCCCCC2)cc1	234174817	UBNJUSGYPMOMLQ-QGZVFWFLSA-N	243.394	4.529	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C1=CCCCCCC1	235791851	MERHMJZUMQHQAS-KRWDZBQOSA-N	243.394	4.584	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	251104453	FDIQLIPJVMIGJU-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1CC[C@H](CC)C1	251379949	RNBJEEHNFFLUNQ-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@H]2CCNc3ccccc32)C1	300116453	NRJOCPKUWCJTGV-YJNKXOJESA-N	243.394	4.658	0	10	BJAE	
CC(C)C[C@H](C)CNc1c(F)cccc1Cl	300839344	CYSFLPCSGDKRKG-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CCC[C@H](CCC[C@H](C)CC(C)C)NCC	300877961	ILJWVGROUZMPNM-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CCC/C=C/CCNC(C)(C)C	300919788	SYNVOPDBDJAKHA-VQHVLOKHSA-N	225.420	4.537	0	10	BJAE	
CCc1ccc(NC[C@@H](C)CC(C)C)cc1C	302343494	VDHQWEWQPNUBQV-ZDUSSCGKSA-N	233.399	4.652	0	10	BJAE	
C[C@H]([C@@H](O)c1cccc2ccsc12)C(C)(C)C	302402877	HMVUJHAZIVHRCX-ZWNOBZJWSA-N	248.391	4.617	0	10	BJAE	
CCCCc1ccc([C@@H](O)[C@@H](C)CCCC)cc1	306006468	LRCGIFBLXKNLSQ-YOEHRIQHSA-N	248.410	4.889	0	10	BJAE	
Cc1c(C(F)F)cc2sccc2c1Cl	307417294	JYZYUONUZMEMQI-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCCC[C@@H](NCC)[C@H](CCC)CC(C)C	308056055	PWKADMTYLYRKQJ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1cc(C)sc1C	308100380	DMBUTSHIDRGHHM-GFCCVEGCSA-N	238.396	4.620	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCC(=O)C(C)(C)C)C1	309454817	PIZVGLCEWXCQDS-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@](C)(O)CC1CCC(C)CC1	309486754	YIBHCKOSQSYHKO-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](C)[C@H](CCCC(C)(C)C)C(C)C	309994638	PSODJJUYVFHEJR-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C[C@H](N[C@H]1C=CCCCCC1)C1CCCCCC1	310675811	NIYRJAGWDIOLST-RDJZCZTQSA-N	249.442	4.824	0	10	BJAE	
C[C@H]1C[C@@H](NCCCC(C)(C)C)CC(C)(C)C1	313252993	MKGUFGNJHMZAAO-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C(C)(C)C1CCC1	322326745	SQFBGEONNIORFK-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CC[C@H](C)C1	383210963	ASDRFBKVHMZTEF-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1CCCC[C@H]1C	384527710	YTFQRUQHNGMNCX-UGUYLWEFSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)c1ccc(C)o1	394137302	QXUQPPRTBSIXNB-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
C[C@H](C[C@@H](O)CCC1CCCC1)c1ccccc1	394161443	YLSBMDDFRHSWMM-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
CCc1c(C(F)F)sc2cccc(F)c12	396236745	IRRNAPUMYXMBFR-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC(C)Cc1ccc([C@H](N)[C@H](C)C(C)(C)C)cc1	399213087	VTCJVVPRZJSAFR-XJKSGUPXSA-N	247.426	4.567	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H]1CC[C@H](CC)C1	400470660	QNHUHCBKNPVMLX-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@@H](C)c1ccccc1	400981913	SAIOLNYRIYOEIA-LBPRGKRZSA-N	246.737	4.788	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc(C2CC2)c1	690149994	ICXQJRSASRBMCQ-CQSZACIVSA-N	217.356	4.555	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCCC[C@@H]1C1CC1	696105936	RZEPDICUMTVXOU-CJNGLKHVSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@H](NCC[C@@H](C)CC)c1ccccc1	696177196	SVNQBGBJZSUWAX-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
CCC(C)(C)C[C@H](NC)c1c(C)cc(C)cc1C	696560107	DRNJGPDLMOTBLT-HNNXBMFYSA-N	247.426	4.699	0	10	BJAE	
CCC(C)(C)CCNc1cccc(Cl)c1	696683267	KIRDIOJXFKPSLQ-UHFFFAOYSA-N	225.763	4.578	0	10	BJAE	
CCC(F)(F)CCNc1ccc2ccccc2c1	697610473	OTRMCCUXEAJSCA-UHFFFAOYSA-N	249.304	4.687	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1C[C@@H]1C(C)(C)C	699848234	JGOAGPVPSJPUCB-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@]1(O)C[C@H](C)CC[C@H]1C(C)C	701046183	BIMXYLKCFMNZLN-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@H]1CCCC[C@H]1C	704911737	BIRYULJUPIDNPS-MFKMUULPSA-N	238.758	4.606	0	10	BJAE	
CCCC[C@@H](CC)CNCC[C@@H]1CC=CCC1	706866906	GDHVBNKJEGQLTF-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H](C)c1ccccc1)CC(C)(C)C	709127398	QKDNKVHJURJRRN-IIAWOOMASA-N	247.426	4.580	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)c1ccc(Cl)cc1	709246235	CBQMGPRGWNLGPV-JTQLQIEISA-N	238.758	4.595	0	10	BJAE	
Cc1cccc([C@H](CNC(C)C)CC(C)(C)C)c1	713140796	NRCHGRZGAKAGFV-INIZCTEOSA-N	247.426	4.513	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(N)CCC(C)(C)C[C@@H]1C	713175199	LUYMMRPEGGDDFD-XJKSGUPXSA-N	239.447	4.602	0	10	BJAE	
O=C(CC[C@H]1C[C@H]1C1CC1)C1CCCCCCC1	714801937	DWACDXUTGKEXRZ-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC2CC2)CCC=CCCC1	718995561	CYPUXCMJJRIYRQ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)c1cc2cccc(C)c2nc1Cl	722210224	ZIUKQNIXYYDFJM-SECBINFHSA-N	233.742	4.710	0	10	BJAE	
CCC(CC)C[C@]1(O)CC[C@@H]2CCCC[C@H]2C1	723649608	ZULMZCHGMATEQD-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
c1ccc([C@H]2O[C@H]3CCCCCC[C@H]3S2)cc1	1076482249	VYPDVTOQVKFMNA-ZNMIVQPWSA-N	248.391	4.540	0	10	BJAE	
CCCC[C@H](N[C@H](C)CCC(C)C)C1CCC1	1181533729	AXFJLDLDXYSTNX-ZBFHGGJFSA-N	239.447	4.760	0	10	BJAE	
C/C(=C/Cl)CSC[C@@H]1CCC[C@H](C)C1	1189197114	ACQIRKSEWQXFDY-HTBOAFLOSA-N	232.820	4.689	0	10	BJAE	
CC(C)[C@H](C)SC[C@H]1CCCC[C@H]1C	1613581173	CEEXAHLVSIJIGA-FRRDWIJNSA-N	214.418	4.590	0	10	BJAE	
CCCCCNc1nc2c(C)cc(C)cc2s1	1639171475	IVNUMCFKEDBLGB-UHFFFAOYSA-N	248.395	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Sc1ccccc1C	1643656105	HVWCSQDXODFSGO-ZYHUDNBSSA-N	208.370	4.522	0	10	BJAE	
CCCc1ccc([C@H](N)[C@H](CC)CCC)s1	1900669476	LSLLFNUVBQUGEF-BXUZGUMPSA-N	239.428	4.527	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)CCC(C)(C)C	1900714994	YVURXOYZYHMLEB-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CCCC(CCC)C(=O)[C@H](C)[C@H](C)C(C)C	1901628567	XGDLJOSKTSBZAV-CHWSQXEVSA-N	226.404	4.700	0	10	BJAE	
Cc1ccc2oc(-c3csc(C)c3)cc2c1	1901897822	YLJQSLQCPVZFDU-UHFFFAOYSA-N	228.316	4.778	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H]1CCC[C@H]1C(C)C	1907594215	NLCXNELSKRWUCW-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
C=CC=CCC[C@@H](NCC)c1csc(C)c1C	1912064890	PBVMJNJGSLPWKS-OAHLLOKOSA-N	249.423	4.538	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@@H]1C1CCCCC1	1913403453	JPIZBFKUVFIRPR-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@](C)(CNC1CC1)C1CCCC1	1924089924	TWUKXUGXTLBIOS-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
NC[C@H]1CCCC2(CCC2)[C@H]1CC1CCCCC1	1924837024	JQDVVPPQEONSFE-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
CC[C@@](C)(CNC(C)C)C[C@H]1C=CCCCC1	1925810404	TVMYATYDDFYHOO-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)C[C@H]1C[C@H]1C=CCCCC1	1925887170	BESQYLBGNGYYQK-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(C(=O)C[C@@H](C)C(C)(C)C)cs1	1936772673	RZKWGIWTJHOGEL-SNVBAGLBSA-N	238.396	4.566	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](CN)CC(C)C	1938138917	YCXHDLRJFUYEPM-GJZGRUSLSA-N	227.436	4.604	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1sccc1CC	1938210317	YWRGZXGSHGSTQH-AAEUAGOBSA-N	240.412	4.560	0	10	BJAE	
C[C@H](CC(=O)c1csc2ccccc12)C1CC1	1940716296	AQQXHNHUYFATCU-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
C[C@H](CCC(C)(C)C1CC1)c1ccc(N)cc1	1940970425	IYGLLALCBMYUNA-GFCCVEGCSA-N	231.383	4.589	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](NC)C1=CCCCCCC1	1941270622	ZRRUGFUBVMCXIR-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@@H](CC(C)C)C(C)C	1941274193	YAQGUSREIRSLHF-JKSUJKDBSA-N	239.447	4.769	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCC(C)(CC)CC	1941355413	MFMWIHZBEQQJAH-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](O)(CCCC2CCC2)C1	1941470007	KOAAPBHAUCMZHG-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(CCCCCC1CC1)C1CCC1	1941583757	IPGAMIRTRCKAKX-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)[C@H](C)CCC(C)C)CC1	1942652137	DRZANJISEYHSMJ-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cccc(C2(C)CC2)c1	1944600015	KXRQYUGVMQHEMC-STQMWFEESA-N	231.383	4.585	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)C[C@H](C)C1CCCCC1	1944618778	QKFVCXDYCHSYSV-ZFWWWQNUSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC[C@@H]1C1CC1	1945002814	PXTKKJMXRUENPJ-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1N[C@H](C)C1CCCCC1	1947462425	NLYVALPRSDTHPM-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](C[C@H]1C=CCCC1)NCCC	1947588342	NZRIJVMMYNAEKJ-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CCCC1CCC1	1949015409	SLCKRULBCCTMIR-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CC(NCCC2CCCCC2)C1	1963182784	NOBYCTXKAQFNNO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1CC(C)(CN[C@H]2CCCCC23CCCC3)C1	1966300577	PRVFAIZIBDMHIB-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(NCC2CC(C(C)(C)C)C2)ccc1F	1968592247	UKWBYRYSEZVTEV-UHFFFAOYSA-N	249.373	4.618	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC1(C)C)C1CC2(CCC2)C1	1969956449	ZSLMMTCMGGLMDR-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CC(NCC2CCC3(CC2)CC3)C1	1970867318	NCERVQAODDXGSJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)N(C)CC1CCC(CC)CC1	1971406473	OTUIPUODRHCNGK-FHERZECASA-N	239.447	4.713	0	10	BJAE	
CC[C@H](CC1CC1)NC1C[C@@H]2CCCCC[C@H]2C1	1973613037	MIOJQRSGFOCBSZ-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cc(C(F)F)cs1	1977082124	YAHOWPWXDXWBFU-VIFPVBQESA-N	248.338	4.545	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1CC[C@H](C)CC1	1980314404	LQMVNRVJILONKY-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C(C)(CC)CC	1989663316	CZZHYRHKGGNJLS-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC(C)CC(=O)CC[C@@H]1CCCC(C)(C)C1	1994026177	NTOMKUJAENCLFC-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CCC)NCCC	1995203589	LJUSUBCJQANBPM-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
C[C@@H](NCCCC1CCC1)C1(C)CCCCC1	1995987634	UZKDRFLUPAAHHG-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)C1=CCCCCC1	2000333195	NDRMDMKSCYTSPC-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1CCCCCC1(F)F	2000764190	ZKCBNJXKIPSMPT-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
C[C@@H]([C@@H]1CCC[C@@H](C)C1)N(C)CCC(C)(C)C	2002986159	VXDMWWRGHNPNJR-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC1CCC2(CC1)CC2	2003190926	AAMMOKDDYQNVBF-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@]1(CNCC)CCCCC12CC2	2005566851	YKGYEGVSILKMSW-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@H]1CCCCC12CCC2	2005592290	PDROGHKYDZPHPH-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC1CC(CC)C1)CC(C)(C)CC	2007755620	ZXXFXGSPADROAI-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCc1ccc(F)c2c1CCC2	2008645851	HDJQMOYLMCMCEE-UHFFFAOYSA-N	232.342	4.603	0	10	BJAE	
CC=CCCC[C@H]1CCC(C)(C)CC[C@H]1NC	2009630800	XXQGAWVEQAROAK-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(O)[C@@H](C)CC(C)C)CC1	2010714706	ADKJEDDPZOWOKH-SQWLQELKSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)[C@@H](O)C1=CC[C@H](C(C)(C)C)CC1	2010718265	AOPASAGFMAABMO-LSDHHAIUSA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@@H](N)CC1CC2(C1)CC(C)(C)C2	2011844894	CMIMMLGSLDWWIM-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C)C[C@@H](C)CCC(C(C)C)C(C)C	2015343735	GEEKACXTAMLSJG-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCN(CCC(C(C)C)C(C)C)C1CCCC1	2015392307	NRJDEFMIGFOVNW-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1(CC(C)C)CC1	2015741448	AZGAGBZYDWWIMZ-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C(C)(C)CC(F)F	2016017945	ATWYYHUQSAZSAG-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@@]1(C)C[C@@H]1C	2016454001	CGKDTFHECAUSQM-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(CCC(=O)CC2CCCC2)CCC1	2017128297	APKZJDRRBYOWEG-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2(C(C)C)CCC2)C1	2017140379	GNVQTTCEIRDEHM-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(O)CC(C)(C)C)CC1	2017653705	WPUGXQONFILRAT-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@H](C)CCC(C)C)CC1	2017661776	DZUBKHPAXOFDGL-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CNC(C)C)C[C@H]1CC[C@H](C)CC1	2017724536	NOTABAJWKZJAEE-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCCC1(F)F	2018133256	CCMRPYXTJGAREK-QWHCGFSZSA-N	247.373	4.513	0	10	BJAE	
CCCC1(C[C@H](CCCC2CC2)NCC)CC1	2018982996	RXXXZBRCNCMIEO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CCC1(CCC)CC1)NCCC	2018988978	ZTSFSBMXMDTCAS-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CN[C@H](CC=C(C)C)CC1(C(C)(C)C)CCC1	2023327745	MUESHFCMXLMYMZ-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](NC)c1ccccc1C(C)C	2028264352	OYIVHFMYUATFOV-YOEHRIQHSA-N	247.426	4.753	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](O)c1ccccc1C1CC1	2028553948	FMORUUBPJAVUNT-KRWDZBQOSA-N	246.394	4.526	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC2CCC=CCC2)[C@@H]1C	2028868952	BEBQHQBWDMGLGE-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@]1([C@H]2C=CCCC2)CCCC1(C)C	2032107324	WKZHSSAVHWDTKM-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)c1ccc(C(C)(C)C)cc1	2032270020	ZOAMCQSWPGJFKX-OAHLLOKOSA-N	248.410	4.700	0	10	BJAE	
C[C@H](NC(C)(C)C1CCCC1)[C@@]12CCCC[C@H]1C2	2033147434	OYVQIRRAHGXLCE-QRTARXTBSA-N	249.442	4.514	0	10	BJAE	
CC1(CNC23CCC(CC2)C3(C)C)CCCCC1	2033415693	WMERDPXOWBFLMF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@]2(N)CC[C@@H]3CCCC[C@@H]32)CCCCC1	2034260555	VFIBNCZRIQDKNQ-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c(C2(N)CCCCCCC2)cc1C	2035545872	CFDQSSHFHOTVCD-UHFFFAOYSA-N	245.410	4.510	0	10	BJAE	
NC1(CCCC2CCC2)C[C@H]2CCCCC[C@@H]2C1	2035853546	VFBWYJARUCUVHI-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1[C@H]1CCC[C@@H](C)C1	2037223684	KKMFKYMDZNOYNF-VWPFQQQWSA-N	243.394	4.658	0	10	BJAE	
C[C@H]1CC[C@H](C2(CNC3CC3)CCCCCC2)C1	2037696645	ARUNUYUYRYSAJP-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CC2CC3(CCC3)C2)CC1	2039373515	HZXXDWTVMNHNPY-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]2CCC[C@@H]2C1)C1(C)CCCCC1	2039860879	ZMQJRJGIVHFXDD-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(N[C@H]2CCCC3(CCC3)C2)CCC1	2041289881	LYXCXHABLDCLTE-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)c2ccccc2C)CC1	2041374088	YFJKTSRJNHDCTA-INMHGKMJSA-N	245.410	4.601	0	10	BJAE	
CN[C@H](CCC(C)(C)C1CC1)[C@]1(C)CC=CCC1	2042023033	XXUNJFAZNXUSBS-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)[C@@H]1CC=CCC1	2042024058	IEYMMDYWNMCGOB-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1C[C@@H]2CCC[C@@H]21	2045308073	QQIHKXTWFFEBLV-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
CCN(C[C@@H]1CCC=CCCC1)[C@H](C)C1CCC1	2045310937	HDRYDFSOTMINJY-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C1(CCC)CCC1	2045816255	QEPQQKXYSNYGLY-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C[C@H]1CC12CCCC2	2047011573	XZVCEZCEISRJAH-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC23CCCCC3)C1	2047052141	KPVWTGRTIWNZLH-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1CCCC1)C[C@@H]1CC12CCCCC2	2047055579	MBCSJNRDRPFIPS-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@H]1CC12CCCC2	2047056762	VXNJVTPNHWSKLZ-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@@H]1CC12CCCCC2	2047063898	ZXSWMHFKODZVDG-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1CC(C(=O)[C@@H]2CCCC23CCC3)C1	2048617985	AJEOQTMAQJAGQB-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1N[C@H](C)[C@H]1CCC[C@@H](C)C1	2049536475	LVXIUFTZMCJZFA-FMKPAKJESA-N	245.410	4.876	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)[C@@H]1CCC[C@H](C)C1	2049541203	UDFONBOHOJCDMK-IACUBPJLSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@H]1CCC2(CC2)C1	2049844522	BGHQEUPAMIXLEN-XUWVNRHRSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1CCC2(CC1)CC2)[C@@H]1CC1(C)C	2049859138	SOMQAXSPUMTZOL-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CC1(CC2(N)C3CCCC2CCC3)CCCCC1	2049994068	CKIUQTLEHPMKRB-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CNCC(=CC1(C)CC(C)(C)C1)C1CCCCC1	2050115066	HYKMSYFHJUYGNK-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc([C@@H](N)CC[C@@H](C)CC(C)(C)C)cc1	2050431158	PYDVEXIKTUUNFQ-ZBFHGGJFSA-N	247.426	4.847	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC[C@@H]3CC[C@H]32)c(C)c1	2052286551	LYUSYZYNFAPDCU-BZUAXINKSA-N	243.394	4.602	0	10	BJAE	
CC(C)C1CC(C(=O)[C@@H]2CCCCC23CCC3)C1	2053359971	PEYAPHRRUYUHTG-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H]1CCCCC12CC2	2053361439	XJBMWVOJSODDTJ-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H]1CCC12CCC2	2059221433	MZUHFQXUDMSZBU-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H]1[C@H]2CCCCC[C@H]21	2059250084	NGAYHSQVLLMXPW-XTJKPPFFSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@@]1(C)CC1(C)C	2060928871	IEWPLMHFXXWXRP-YSVLISHTSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@](C)(N)C2CC(C)(C)C2)CC1	2061110657	JUEVLWIKIAHHTD-DYVFJYSZSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CCC2)C1)C[C@@H](C)CC	2061721525	XQWWDUANLTWPTC-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
NCC1(CC2CC(=C3CC3)C2)CCCCCCC1	2061738818	HIKBVLBIYGDUAB-UHFFFAOYSA-N	247.426	4.566	0	10	BJAE	
CCc1ccc(CC)c(C(=O)C(C)(CC)CC)c1	2061877210	WSQNCMDCPDFLFX-UHFFFAOYSA-N	246.394	4.820	0	10	BJAE	
CC[C@@H](NC1CCCCCCC1)c1occc1C	2063678015	NHSOVVSAAHRIIV-OAHLLOKOSA-N	249.398	4.742	0	10	BJAE	
CCC[C@@H](NC1CC2(C1)CC2(C)C)C1CCCC1	2064118448	TYEANMDFMJLKFJ-ISXOHVOVSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CC23CCC(CC2)C3)C1	2065276786	HSLCFKXKILCPEZ-DGNOSDGRSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1C[C@@H]2CC[C@@H]2C1	2068799386	IGDKAVJCEQTAPM-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C[C@H](C)[C@H](O)c1ccccc1)C(C)C	2068817600	MNYHQFFYOQDDBN-YOEHRIQHSA-N	248.410	4.674	0	10	BJAE	
CCN[C@H](C[C@H]1CC12CCC2)CC1(C)CCCC1	2069214428	LATNZQOMJCGOFO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H]2C[C@@H]3CCCC[C@@H]3C2=O)CCC1	2069281201	UESKHFUOOSCJRN-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@H]1C[C@@H]1CC	2071510624	JRGMTUCISDKUHH-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(C[C@@H](N)[C@@H]2CC23CCCCC3)CCC1	2071945339	FQXBFDMMTDBMCV-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CC[C@@H]2C2CC2)CC1	2072797506	ZXNNKOKDAAERSP-MMADZMRASA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NC[C@@]23CCCC[C@@H]2C3)c1	2074046640	LSDXPVWVRGTBAX-WBVHZDCISA-N	243.394	4.802	0	10	BJAE	
CCCC1(C[C@H](O)c2ccccc2C2CC2)CC1	2074618331	FDPMFXREOZKXLB-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@]12CCCC[C@H]1C2	2074641205	IGFBRFDKENLSDF-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
C[C@H](c1ccccc1)N(C)CC1(C)CC(C)(C)C1	2074795763	ZSGNEGLVVIMOGM-CQSZACIVSA-N	245.410	4.506	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](Nc2ccccc2C2CC2)C1	2077262869	ZBENYHJGMADPJI-NHAGDIPZSA-N	243.394	4.801	0	10	BJAE	
CCCC1(CN[C@H]2C[C@H]2C2CCCCC2)CCC1	2079532874	XJRMDMQIYRXKOY-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@@H]1CCC)C1(C)CC=CC1	2079626274	HRHPKURHAJUABA-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)C12CCC(CC1)C2(C)C	2079840333	BNEJQRDXOUHILW-WIJYIZELSA-N	248.410	4.598	0	10	BJAE	
CC1CCC([C@]2(N)CCC[C@@H]3CCCC[C@H]32)CC1	2081132722	LXYSUGUSQPJINJ-DSIITGHMSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)CNC1C2(CCC2)C12CCC2	2083547879	GPDNMMLICRHFCY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1sc(C)c(C)c1C	2211699100	GMNNDAARLRCRSP-RNCFNFMXSA-N	240.412	4.533	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CC[C@H](C)C1	2212630882	HVFMCHILLCNQQN-GWCFXTLKSA-N	237.774	4.503	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CCCCC1CC1	2214565666	OOIGEZLTYRPYIW-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@@H]1CC[C@@H]1C	2214951804	PTEBLLONBQYJML-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@](O)(CCCCCCCC2CC2)C1	2216861390	GGTSRBCXINQNQD-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)[C@H](N)CCCCCCCC1CC1	2216862137	XVJLXZMVVMGETG-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@]1(CN[C@@H](C)CC)CC=CC[C@H]1C	2217143034	YNBGCYGUTURPGS-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@]1(CN[C@H](C)CC)CCC[C@@H]1C	2217153239	KOQHPSDFIMPTAI-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NC[C@H]2C[C@H]3CCC[C@H](C3)C2)cc1	2218362294	VWUBKLLDNITOTD-MUJYYYPQSA-N	243.394	4.623	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CCC[C@H]2C[C@@H]21	2218728781	VWBMBVWCBWGYAC-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCNCC12CCC(CC1)C2	2218732885	SBCNAUOTZNPROH-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(N)CCC(C2CC2)CC1	2218897025	PQEZQBZVDDDRPQ-AKBUMOGYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(CC1(C)CC2(CCC2)C1)[C@@H]1CC1(C)C	2221017757	WJULRSPSKZQEDO-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(CC2(N)CC3(CC(C)(C)C3)C2)C1	2221027643	INSKUKALRMEEKT-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C23CCC(CC2)CC3)C1	2221086468	RELDLUSRDXCTTB-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@H](N[C@H]2CCC3(CCCCC3)C2)CC1	2221668096	XKKPZDRUVWQBPD-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NC[C@@]2(C)C=CCC2)C1	2222254394	BMQSAQXSFWIENP-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
C(CCCN[C@@H]1C[C@@H]1C1CCC1)CCCC1CC1	2223157482	DUFCCGQWZDNTMC-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CNC2CCC2)(CC2(C)CCCC2)C1	2223579609	ZUJALOBYFSLEDY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(-c2c[nH]ccc2=S)c(C)cc1Cl	2244021762	SCNONHOHSFJPGY-UHFFFAOYSA-N	249.766	4.681	0	10	BJAE	
CC(C)=CCCc1nc(C)cc2sccc12	2244251541	CIMSZBZOFNNGNA-UHFFFAOYSA-N	231.364	4.504	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CCCCC12CC2	2246614904	PHCORARBPUBNLW-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@H](C)NCC[C@@H]1CCCC12CC2	2247598511	CRJDKJNWMVDKAS-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CCNCCCCC[C@H]1C[C@@H]1C	2248867071	SWCAPCBEFMCFDD-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN1CCC[C@H](C)C1	2250467630	UBZMLUSBTBCPGI-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
c1cc(NCC2CCC2)cc(C2CCCC2)c1	2251243944	QNYWGCBQNYFXJS-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C1CC(CC(C)(C)C)C1	2251532342	VUFVEMVYDITATL-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](c1ccc2ccsc2c1)[C@@H](C)CC	2253061733	XPEYIKVGJDOOCC-XHDPSFHLSA-N	247.407	4.598	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1ccc2ccsc2c1	2253066229	WQOOOKISTMDZNG-BXUZGUMPSA-N	247.407	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)C2CC(=C3CC3)C2)C1	2253934153	GGWPYMBVKDAODR-STQMWFEESA-N	246.394	4.662	0	10	BJAE	
CC1CCC(C(=O)CC2CC3(CCCC3)C2)CC1	2254111644	DAVNENHOAGQNTH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC=C1CCC(C)(C)C[C@H]1CN	2254545540	UJJWIUJNKQKCQB-KBMXLJTQSA-N	249.442	4.524	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCCC[C@@H]2C[C@H]2C)CC1	2254576588	HJGKLPRMHYALBD-INMHGKMJSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C1CCC2(CC1)CC2	2254583033	SQZNWHZILAPUIE-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@](C)(NCC[C@H]2CCCC23CC3)C1	2255280999	LHILLXSBIAJQLJ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@H]2CCCC23CC3)cc1	2255313357	PCXQVFKRAHEEBG-HNNXBMFYSA-N	242.362	4.538	0	10	BJAE	
CCC1(C)CCC(N[C@H](C)[C@H]2CC23CCC3)CC1	2256440598	UAEANXJTBLYAOK-YHNBSYBMSA-N	249.442	4.514	0	10	BJAE	
CC(C)(CCC(=O)[C@@]12CCCC[C@@H]1CC2)C1CC1	2260534880	COSUYSVNAPWUCO-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@]12CCCC[C@H]1CC2	2260561869	ONVVLKYYJRSDPU-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C(=O)C[C@]23CCC[C@@H]2CC3)CC1	2260573646	IZPMKSBGJMUZKD-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
C[C@H](NC[C@@]12CCCC[C@H]1CC2)C1(C)CCCC1	2260602966	LPPAUSIWYTXJST-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@]12CCC[C@H]1CC2)[C@@H]1CC1(C)C	2260673075	QSOHPTKZAPMOHH-ABFRBSLYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)[C@H](NC)c1cccc(C2CCCC2)c1	2260724303	ZWSYCBWKDQRMNO-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CN[C@H](CCC1CC(C)C1)C[C@@H]1C=CCCCC1	2261493950	VBYKNBOJNNYOJC-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1C=Cc1ccccc1Cl	2293631615	BYUKSFLZJPPSRM-UHFFFAOYSA-N	228.722	4.819	0	10	BJAE	
C=CC=CCCCc1cc(F)ccc1C(F)F	2300649747	ZYUATPPYCCXXGM-UHFFFAOYSA-N	240.268	4.828	0	10	BJAE	
CCC(CC)CC[C@@H](N)C[C@@H](CC)C(C)(C)C	2300675866	IYNZZAMPWGQQTJ-HUUCEWRRSA-N	241.463	4.993	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1CCC(CC)CC1	2300678198	IDQSMZZTNDWLJS-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@H](CO)C1CCCCCC1	2300685385	DWFASYNGHNODOB-MRXNPFEDSA-N	240.431	4.782	0	10	BJAE	
CCC(CC)CCC(=O)C1(C(C)(C)C)CCC1	2300688512	OAFCKMZIDQHXTF-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@@H](CCC(CC)CC)C1	2300689525	YXXLXIMTHOBRDI-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
Clc1ccc(C2CC2)cc1NCCCC1CC1	2300695550	SVASUGAETBKYMU-UHFFFAOYSA-N	249.785	4.820	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCCC(C)(C)C1	2300701506	SAAXWVIWUXQIBA-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCC[C@H](CC)C1	2300705705	HERVTJLYGWSCAF-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)CCNc1cc(F)ccc1C(F)F	2300826158	JSUGLAWNFMKSSF-UHFFFAOYSA-N	245.288	4.611	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CCCC[C@H]1C(C)(C)C	2300898378	CXGVRWYZWMICPJ-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)CC(=O)CC1CCCCC1	2301843934	MYOBJPRAKSPSEP-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@]1(O)CCCCCC1(C)C	2301868522	DOIXISDPMMDEJI-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H]([C@@H](CC)C(C)C)[C@H](C)[C@@H](C)C(C)C	2301961626	MCAAZVWFEHRGNV-XUWVNRHRSA-N	241.463	4.575	0	10	BJAE	
CC1(C)CCC[C@@H]1c1nc([C@@H]2CC2(C)C)cs1	2302262386	LMKCSLSUGHQKMJ-MNOVXSKESA-N	249.423	4.950	0	10	BJAE	
N[C@@H]1CCCC[C@H](CCCC2=CCCCC2)C1	2302358682	JFWSKXYMKTYFTQ-HZPDHXFCSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@](O)(CC[C@H]1CCC(C)(C)C1)C1CC1	2304352853	WCNNQBYKMGWBLW-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CNc1cccc(C(C)C)c1F	2307558882	GNFHUUCPLHPNBW-UHFFFAOYSA-N	237.362	4.797	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC[C@H](C)C2)c1F	2307559031	IUVOLKSPAZVTLD-RYUDHWBXSA-N	235.346	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@]1(C)CC=C(C)CC1	2307891658	ABNJDOBJGNWKEO-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@H]1CC[C@H](C)CC1	2307907601	MHSGANLLQWPDHS-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@@H]1C[C@H](C)c2ccccc2N1	2311571054	DIOFBSCQSNKDGF-FQLMCAECSA-N	243.394	4.657	0	10	BJAE	
N[C@H]1[C@@H]2CCCCCCCC[C@@H]2C12CCCCC2	2311920876	RRSLUWFMXIRZJM-PMPSAXMXSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1CC)[C@H]1CC=CCC1	2312456558	ACTFXPNALMFOOJ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(C(=O)[C@H](CC)CC(C)C)ccc1C	2314700024	OZCCFORQCOCVEM-OAHLLOKOSA-N	246.394	4.812	0	10	BJAE	
CC(=CC[C@]1(N)CCC[C@H]2C[C@@H]21)CCCC(C)C	2316535657	JASUFPVNYCTSRO-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
CCC(C)=CCC(=O)c1cccc(C(C)(C)C)c1	2316568306	OTNBJVXBBSUYJN-UHFFFAOYSA-N	244.378	4.913	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@H]1CC2CCC1CC2	2318935719	IYEXXUSLZCFOTA-OPKDVZQQSA-N	248.410	4.598	0	10	BJAE	
N[C@H]1CCCC[C@@H]1C=CCCCCCCC1CC1	2318952842	WPFUBKRQXBIHNC-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CC[C@@H]2C(C)(C)C)cc1C	2320153844	QBENYCWSEPWTPE-GJZGRUSLSA-N	244.378	4.558	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC[C@H]2CC(C)C)CC1	2320333139	DQAHZROCMFUTAC-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@]2(C)CC=CCC2)CC1	2320346840	GZPUSIZWQXDFAZ-IKGGRYGDSA-N	247.426	4.587	0	10	BJAE	
CC(C)c1cccc([C@@H](N)CCCC2CCC2)c1	2320513733	CVWCAIYVDXQUAT-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CC(C)c1cccc([C@H](N)C=C2CCCCC2)c1	2320521618	RQDSZZSGWUIZCN-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1cc(C)ccc1C(C)C	2327675607	NVELBNFDBGOCMY-PBHICJAKSA-N	247.426	4.800	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)c1ccc(C)cc1C	2328192329	BAJQNWLKSCPVAO-DOTOQJQBSA-N	247.426	4.694	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccc(C)cc2C)cc1	21038178	JVYQVHLUSVOLDM-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCCCCC[C@@H](C)NCc1ccc(C)cc1C	34991456	QMSWIWAOQWNFCR-MRXNPFEDSA-N	247.426	4.752	0	10	BJAE	
Cc1cc(-c2ccc(C(C)C)cc2)cc(N)c1C	41282555	GKAJEWXTCQXILY-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
Cc1ccc(Nc2nccc3ccccc23)cc1C	48545517	CRHKJSBEAQNWBL-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
CC[C@@H](O)c1ccc(-c2ccc(C(C)C)cc2)o1	54107431	GHXYQYWWSXLHQN-CQSZACIVSA-N	244.334	4.513	0	10	BJAE	
Cc1cc(Cl)cc2nc(C3CCCCC3)oc12	62536171	NFDTUWSUHHNNSN-UHFFFAOYSA-N	249.741	4.837	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccc(F)c(C)c1	70978398	FGHWVBBZDGNDKW-IUODEOHRSA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](O)(c2ccc(C(C)C)cc2)C1	71127572	SVXPXQOPIINXGQ-WMLDXEAASA-N	246.394	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2ccc(C)c(F)c2)C1	71154591	IFLXQTYRWVVRSZ-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
CCC(CC)CNc1c(Cl)cccc1Cl	83374708	WTSIKGIBJGGJGR-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
CC[C@H]1CCC[C@H](Oc2ccc(Cl)cc2)C1	85150273	AGUBXDZYMSZYRD-FZMZJTMJSA-N	238.758	4.688	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H](C)c2ccco2)CC1	86939320	SHXOAGWOUCSOAA-ZNMIVQPWSA-N	249.398	4.535	0	10	BJAE	
CCC[C@@H](O)c1cc2cccc([C@@H](C)CC)c2o1	88072406	HNFZRVGMKFNXOY-SMDDNHRTSA-N	246.350	4.780	0	10	BJAE	
CCCC[C@H](N[C@@H]1CC=CCC1)c1ccccc1	88747150	MPKSDGYCJXYZIH-SJORKVTESA-N	243.394	4.616	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)c1ccccc1	103945596	NWMFIKKOMWAJSH-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
Cc1ccc(NC2CCC(C(C)C)CC2)cc1F	104021463	OXJFWHKLJDVGOQ-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1O[C@H]1C[C@@H](CC)c1c(C)cc(C)cc1C	107532802	GIRQZINFGJKHLW-PMPSAXMXSA-N	246.394	4.673	0	10	BJAE	
CC[C@@H]1O[C@H]1C[C@@H](C)c1c(C)c(C)cc(C)c1C	107658054	BYTUTJXDKBSRRK-KCXAZCMYSA-N	246.394	4.591	0	10	BJAE	
CCCCCC(=O)C1(c2ccccc2)CCCC1	110446424	QPZYOQOHAMCKDU-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCCC[C@@H](CC1CCCCCC1)NC	125358160	KAKADJULKFHWCI-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H](CC(CC)CC)c1cc(C)ccc1C	229164558	UACWOBKYPKTPOR-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(C)c(Cl)c1	229183957	YLURXCLWPMPNQU-AWEZNQCLSA-N	240.774	4.652	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC(C)(C)C[C@@H]1C	233361120	PSCANUMDJAHBRC-BBRMVZONSA-N	245.410	4.876	0	10	BJAE	
N[C@H](CCC1CCCC1)C1=CCCCCCC1	236310948	MTOWTOSRPBTDDM-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@H](C)C[C@H]2C)c1	251057231	BRBAIHANFUOWGL-SGIREYDYSA-N	231.383	4.540	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@H]2CCC[C@@H](CC)C2)C1	251907658	XLGNEUAVUMGGKN-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCc1nc(-c2ccc([C@@H](C)CC)cc2)cs1	259298347	OIAVJLOIUBPVCM-NSHDSACASA-N	245.391	4.886	0	10	BJAE	
C[C@@H]1[C@@H](N[C@H]2CCC23CCCCC3)CCC[C@H]1C	299953082	KRYHZSBAELGHIQ-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC(=O)CCC1CCCC1)C(C)(C)C	300752439	LOFCRSTYDFWWLD-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H](C)CC(C)C	300956687	QJGFLYYATYQNOJ-DZGCQCFKSA-N	227.436	4.602	0	10	BJAE	
CC[C@](C)(CCC1CCCC1)CNCC(C)C	302275351	SKFRCZNIHFQSBL-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@@](O)(CCC1CCCCC1)c1ccccc1	305897375	PLLMNLCMUWFWGV-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
CCc1cc2ccsc2c(Cl)c1SC	306615800	PQGDLFWMDBRWKL-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Clc1sccc1NC1CCCCCC1	307617799	RXNPWECHNZHPPY-UHFFFAOYSA-N	229.776	4.536	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C[C@H](C)c1ccccc1	308011928	CGGVJCPJXGMBPQ-ZMSDIMECSA-N	248.410	4.613	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)c1ccc(C)s1	308050934	GSIBNZMLPGOVEN-JSGCOSHPSA-N	239.428	4.519	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1cccc(Cl)c1	308055297	MVOQBKWJMSWIFG-LLVKDONJSA-N	238.758	4.595	0	10	BJAE	
C[C@@H]1C[C@@H](CC2(C)CCC2)Nc2ccccc21	310260997	QMOTZRYTOKRLIF-OLZOCXBDSA-N	229.367	4.555	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2CCCCC2(C)C)CCCC1	310271507	NLSKGTVCLSHDAW-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CCC[C@@H](C)C1CCCCC1)NC	310396550	HSQUFXZYMPSBQQ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)NCC1(CC2(C)CCCC2)CCCC1	310443031	WGGGBGZUPJWZAD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)CC1CCC(C)CC1	310554932	XYMAWCHBIFUVEW-FYRZTWFESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](NCC1(C)CCCC1)c1cccc(C)c1	310726101	ZUXBHYXAOAXKFK-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCc1ccccc1[C@@H](N)C1CCCCCCC1	310947774	MWPCTEADZSRAKY-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
Cc1ccc([C@H](O)[C@@H](C)C2CCCCC2)cc1C	311208653	KHYKXWSETBESCR-WMLDXEAASA-N	246.394	4.553	0	10	BJAE	
Cc1ccc([C@@H](O)[C@H](C)C2CCCCC2)c(C)c1	311236710	WPMONDATTNZXGE-PBHICJAKSA-N	246.394	4.553	0	10	BJAE	
CCCN[C@@H](CC)[C@H]1CCCC12CCCCC2	313092893	CDUHFUBUYSZYJR-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](N[C@H](CCC)C1CC1)C1CCCC1	313421009	DJXGADUSRSEWEB-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](N[C@H](C1CCC1)C1CC1)C1CCCC1	313468805	MLHKZVJTIDQLAI-DLBZAZTESA-N	249.442	4.514	0	10	BJAE	
CCCNCC1(C(CC)CC)CCC(C)CC1	317284274	DQHJBKWVEVRSBZ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)[C@@H](C)C(C)C	319705561	YKJFGDHURYZPCW-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC1CCCCC1)NC(C)C	380361209	VPIYRXCKXXWRPF-OAHLLOKOSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@H](C)C(=O)CCCCCC(C)C	383142203	MQBWHPLQRNYWNR-CQSZACIVSA-N	226.404	4.988	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H](C)C1)c1cccc(C)c1	385031011	GSVZIFSEBIOIGZ-OIISXLGYSA-N	245.410	4.614	0	10	BJAE	
CCc1csc2cc(C(F)(F)F)cc(C)c12	396293077	ATUMACFCYXSLFW-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCc1csc2c(C)cc(C(F)(F)F)cc12	396306105	PGZMKUOIMUHSNK-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCc1sc2cc(F)ccc2c1C(F)(F)F	396306223	XIKZNUZZOPWHLW-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@@H](C)C1CCC1)CC(C)(C)C	398540748	VZCUYDNLTORRPD-UMVBOHGHSA-N	240.431	4.636	0	10	BJAE	
Fc1ccc(CCC2=CCCC2)c(Cl)c1	401099084	CWFRKQUZLXXKIU-UHFFFAOYSA-N	224.706	4.522	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCC(C)(C)C2CC2)C1	405847008	KMKOCLNUPCNELZ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC([C@H](N)CCCC2CCC2)CC1	688355280	GMSNDGNKXKQCRQ-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCCC[C@H]1Nc1ccsc1Cl	691036630	FBIRVOGJJCSRLJ-VHSXEESVSA-N	243.803	4.782	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC[C@@H]2C)c(C)c1	691070690	KZURNNDKCZSFLA-DZGCQCFKSA-N	231.383	4.684	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(O)C1CCCCC1	691127781	MSZIDUNOEKFQKC-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(N[C@@H](C)c2ccoc2)cc1Cl	691263633	CCULVWYJCTUZNP-JTQLQIEISA-N	249.741	4.669	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2CC3CCC2CC3)c1	691658683	OFWMGHHCGZCAKI-UYSNPLJNSA-N	244.378	4.509	0	10	BJAE	
CC1(C(=O)C[C@H]2CC3CCC2CC3)CCCCC1	691782654	YVAMBVJDEBODIT-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccc2sccc2c1	691831543	UFSKKKAGLZGCKO-IAQYHMDHSA-N	248.391	4.761	0	10	BJAE	
C[C@H](Nc1cccc(C2CCC2)c1)C(C)(C)C	695647556	HVVSFGRCXJAVAS-LBPRGKRZSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)CC1CCC1	696563049	UNDXFWMLIPNQHG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C1(C(C)C)CC1	697652444	BHTDZOVLYXGWIP-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(F)(F)C(C)(C)CCC(=O)C1CCCC1	700761595	ZWFKVAHYSBEJAY-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
c1cc(OCC2CCCCC2)c2ccsc2c1	705076192	NJRRSCJCWMZXPU-UHFFFAOYSA-N	246.375	4.860	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1NCC[C@H]1CC=CCC1	706867043	GRPJHCPYUPYYNC-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CNCC[C@H]1CC=CCC1)C1CCCCC1	706869696	QYWFRHSFDZVRDD-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](c1cc(C)cc(C)c1)[C@H](C)CC(C)(C)C	708315232	HABOTTUSCYRSHY-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
Cc1c(F)cccc1NC[C@H](C)CC(C)(C)C	709103477	OZDACQYGZZUDBO-LLVKDONJSA-N	237.362	4.618	0	10	BJAE	
C[C@@H](C[C@@H](C)CC(C)(C)C)C(=O)c1ccccc1	709271646	JVNSFUGHDVVULW-KGLIPLIRSA-N	246.394	4.968	0	10	BJAE	
CCN[C@H](C[C@H](CC)C(C)(C)C)C1CCCC1	711068746	KVWUDNJQAIXPST-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](N)C12CCC(CC1)C2	711097227	LZXOLSQCVFMFOY-PCKAHOCUSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(=O)CC1CCCC1)C(C)(C)C	711176630	IDPCLWNJRUJZPL-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)C[C@H](N)C1CC(C)(C)CC(C)(C)C1	713148541	LPHFNOYOWJNPQN-ZDUSSCGKSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CC1=CCCCC1)CC(C)(C)C(C)C	713252890	XJNININEXWIQDL-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@@H]21	714277488	UHSFVPXKBBWSRY-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cscc1C(F)F	717180790	SYLKYMAGIXOSEY-LLVKDONJSA-N	248.338	4.545	0	10	BJAE	
CCC1CCC([C@@H](N)CCC(C)=C(C)C)CC1	718642757	CGGJRAYSYHLXEA-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCCC2(CC2)C1	723603988	QAEHFVVRABLAKV-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](N[C@H](C1CCCC1)C1CC1)C1CCCCC1	723959363	IRVHLEBIHIGHDT-CXAGYDPISA-N	249.442	4.514	0	10	BJAE	
CC(C)Oc1cccc(C(C)(C)C)c1C(C)C	725422041	OLJXDDSCNDESOO-UHFFFAOYSA-N	234.383	4.895	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@@H](C)C1CCCCC1	829240312	NLMLQGZSYNREMH-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)[C@H](C)Sc1nc(C(C)C)cs1	1644057994	FMZNHWPZORQBOO-ZJUUUORDSA-N	243.441	4.793	0	10	BJAE	
CC(C)CC[C@@H](C)NC[C@H]1CCC=CCCC1	1653229829	CFJAUZUFUFGQRE-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@@H]2CCC3(CC3)C2)C1	1876380362	PFIPIKFHUITEBR-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CCCNCC(=CC(C)(C)C)C1CCCCC1	1880604191	TUUWIQMSMRSLOL-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1(CC)CCCC1	1900702569	PLXFWUZGQSKRJG-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CC1CCCCCC1	1901062023	YOBWVLRMEMLVNQ-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CN(CCCC(C)(C)C)c1ccc(Cl)cc1	1901206663	OITKQJQCDPGEOE-UHFFFAOYSA-N	239.790	4.603	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1csc(C)c1C	1905450934	QZSAWIFRDXUSRG-GXTWGEPZSA-N	239.428	4.581	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)C2(C)CCC2)CC1	1909710379	FAPWTIMJPPOFHR-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@]2(C)CCCN2)CC1	1910266002	KAVJUTOIBTUAMR-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
C=CC=CCCNc1ccccc1C(C)(C)C	1911985699	GDGCPNOFBQCRCU-UHFFFAOYSA-N	229.367	4.528	0	10	BJAE	
CC(C)NCC(=C[C@@]1(C)C[C@@H]1C)C1CCCCC1	1912084376	DLNAVHIDVFQTBC-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@H]1CCCCCF	1913402263	CYYXUYMMMZHKCH-LSDHHAIUSA-N	244.394	4.628	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1[C@@H](O)C[C@H](C)C[C@H]1C	1915996330	XWOVZVHDQHNBMK-LJIZCISZSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](N)(CC)c1cccc2sccc12	1920150106	YZMXQQSRQJUVDQ-OAHLLOKOSA-N	247.407	4.656	0	10	BJAE	
CCC[C@@H](C)C[C@@](N)(CC)c1ccc(CC)cc1	1920449003	LQDSLMZPMHQOIE-PBHICJAKSA-N	247.426	4.639	0	10	BJAE	
CCCC1CC([C@H](O)CC2(C)CCCCC2)C1	1921105553	QKHORPBOUGIMHX-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](NC[C@H]1CCCC12CCC2)C1CCC1	1921615184	KSUGDOZTGBZLQQ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc2nc([C@@H](C)C3CCCCC3)[nH]c12	1924122807	XLULRSYTVPTVAQ-LBPRGKRZSA-N	242.366	4.555	0	10	BJAE	
C[C@@H](C(=O)c1ccc(C2CC2)s1)C1CCCC1	1924122865	XXKCCGKFHIFNER-SNVBAGLBSA-N	248.391	4.635	0	10	BJAE	
CCC(CC)CCNc1cccc(C(F)F)c1	1926186121	MMVMQDHBZCOJST-UHFFFAOYSA-N	241.325	4.862	0	10	BJAE	
C1=C[C@@H](CC[C@@H]2CC3CCC2CC3)CC1	1932592629	KITUJGABLNTRBG-XSCHDIRWSA-N	204.357	4.559	0	10	BJAE	
CCC(C)(C)CC(=O)CCC[C@H]1CC1(C)C	1935941264	UEXYRVAFDDGJPS-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H](CC)C(C)C	1936194700	FHJOHKSYHLYNDI-ZNMIVQPWSA-N	228.420	4.636	0	10	BJAE	
CCC(C)(C)C(=O)[C@H]1CCCC(C)(C)CC1	1939901036	RXMHLGVZEDVPMM-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC1(CC[C@@H](O)c2cccc3ccsc23)CC1	1940793656	WEQJCNDTNPPEIE-CYBMUJFWSA-N	246.375	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)CCCC1(C)CC1	1940882564	QPUXADITCWZHLE-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)[C@](C)(O)C1CCC(C(C)(C)C)CC1	1941143591	CSEXEASONPYSGF-WOICTCIZSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(=O)C1CCC(CC)CC1)C(C)C	1941264582	MTOAVTFOOXNZRE-NRXISQOPSA-N	238.415	4.844	0	10	BJAE	
CCC1(CC(=O)[C@@H](CC(C)C)C(C)C)CCC1	1941264694	NMRARDVDIOEEFQ-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(N)cc1SCCCCCC1CC1	1941574835	GFHJCCNISBXWOI-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943047008	OISMFDSMWXLVPP-KBXIAJHMSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CC(CC2(N)CCCCCC2)C[C@@H](C)C1	1944176214	RJHQZKYTMNRDDD-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)C(C)(C)C1CCCCC1	1944647201	UCFYKNPDOMJKTJ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)[C@H](C)NC1(C2CCCCC2)CCC1	1945278808	OUDPSVLEJVODOU-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@H]1C(C)C	1947466888	JXASYLWSZQIFPJ-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@H](C)C1CCCCC1	1948926138	ZOSOQSZXULNPHB-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc([C@](C)(N)C2=CCCCCCC2)s1	1948953145	SFVFSAYZJXKKCE-OAHLLOKOSA-N	249.423	4.511	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CC)CC1CCCC1	1949870302	OJNXVZPGFRPHOF-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N(C)CC2C[C@H](C)C[C@@H](C)C2)cc1	1964110381	URJAGOKHIHNYJR-HUUCEWRRSA-N	245.410	4.504	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC2CC3(CCCC3)C2)C1	1964594175	LDUSDPLDCWKJQI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NC[C@@H]2CCCC3(CC3)C2)c1C	1968254233	DBKTVQDTLFOCIM-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
CCc1cc(N[C@H]2CCC[C@H]2C(C)C)ccc1C	1969678934	GHCXEIBEBYQXDV-IRXDYDNUSA-N	245.410	4.794	0	10	BJAE	
C[C@H](Nc1cccc(C(F)F)c1)C1(C)CCC1	1969870722	SKIIKWARKPXOCR-JTQLQIEISA-N	239.309	4.615	0	10	BJAE	
Cc1cccc(C)c1-c1nc([C@@H]2C[C@H]2C)cs1	1970804984	CSUYEMNHTSBFHN-VXGBXAGGSA-N	243.375	4.550	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1(C(C)C)CCC1	1978424846	MLTXKIBJBKFTLY-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@](C)(CCC(C)=C(C)C)CNC	1978648368	CXYFZROQEZAFTG-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCCCCC[C@H]1O	1980350687	IKKIPNLFZWUSMT-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H](CC(=O)c2cccs2)C1	1980688507	WRTXRGNFKZEWFM-RYUDHWBXSA-N	236.380	4.537	0	10	BJAE	
CC(C)c1csc([C@H]2CCCCC23CC3)n1	1981840598	KWGWRRVQJPXZEP-LLVKDONJSA-N	235.396	4.704	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H](C)CCC	1984604836	CIUCNQGXJAWLPM-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CC=CCCCCc1cccc(C(F)F)c1	1988323047	FFTJQZLXLDCZLE-UHFFFAOYSA-N	224.294	4.913	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@@H](C)[C@H](C)CC	1990887535	IIWILNFJDLAFDU-KGLIPLIRSA-N	227.436	4.568	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)C1(C)CCCCC1	1995986045	MIIOSNHBOQTHQX-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](NCC=C(C)C)C1CCC(C)(C)CC1	1996595613	XJQCCFUGRFQBTG-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H](C)CC(C)C)NCC	1996616213	KVCXFFHGOWQDIP-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CCN[C@@H](C)CC1=CCCCC1	1998379613	GLTFWLRRBFAWGF-AWEZNQCLSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)C[C@H]1CCC=CCCC1	2000010717	GXTMGDHNCFHGDE-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C[C@H](C)CCC	2000387953	PCJVNZSAAWSYSC-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](CC)(CCC=C(C)C)CNCC	2000508995	KUGUGICEDIRGOI-MRXNPFEDSA-N	239.447	4.929	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CC12CCCC2)NCC	2001218443	XFIXNEVZVXFHOQ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CC12CCCC2)C(C)(C)C	2001250090	JKWFMQBOFRLASW-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CC2(C)CCCC2)C1	2002978861	MCAIXQZBUNJDAO-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)CC2(C)CCC2)C1	2003013261	GHCPMRWGRAGBKG-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@H]1CCCC2(CC2)C1	2003191932	QTMDESCCCOLMGF-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@H](NC)C1(C)CCCCCCC1	2004921867	AVNBTQGGGCMBLA-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@@H]1CCCCC12CC2	2005563581	LQMAMZJPFIIYAU-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1CCCCC12CC2	2005591928	LZGVVFXUWIRFGT-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(C)([C@@H](N)C2CCCCCC2)CC1	2007686618	ASIRZHHUNIKJIJ-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](C=C1CCCC1)NCC	2007938781	BBEAORUGPPBIRW-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CCCC12CCCCC2	2009592677	ZSKIZUCJVKOLRH-WOMSROEHSA-N	236.399	4.598	0	10	BJAE	
CCCCC1CC(N[C@H](C)[C@H](C)CC(C)C)C1	2009716722	YGEHTCOTTVHCBC-WXLSXGNJSA-N	239.447	4.616	0	10	BJAE	
CCCC(CCC)[C@H](N)CC[C@]12CCC[C@H]1C2	2011012795	ZIESDDLLAUKQIH-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](NCC)CC(C)(C)C1	2012062444	POACUPZIVZVWBB-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC([C@](C)(O)C[C@H](C)C(C)C)CC1	2015290643	LZLYNNLFJSIOJK-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC1(C(=O)c2ccc(C3CC3)s2)CC1	2015747077	JHNCAGPCBAMXEY-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CC(C)(C)CCCC(=O)C1(C(C)(F)F)CCC1	2016006120	ZMTGLAZKMANSBF-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC1(C(C)C)CCC1	2017145929	NPTAAALZFPFAPJ-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCCCCN2)CC1	2017734967	STOZXYCYCSHOEF-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCC1(C(=O)C[C@H]2CC[C@H](CC)CC2)CCC1	2017774986	VYSIFNAQHLEORG-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)N(C)CCCCCC1CC1	2018182413	GNHKNRQMNBVYCB-MRXNPFEDSA-N	239.447	4.857	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCNC2(CCCC2)C1	2018655687	NNTMJXPZIGRDSP-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@@H](C)CCC(C)C	2019409115	MSNQAGKRWKCQIO-JKSUJKDBSA-N	241.463	4.958	0	10	BJAE	
O=C(c1cccs1)[C@@H]1C[C@@H]1C1CCCCCC1	2022416858	HLIQDMOAPSHWNX-CHWSQXEVSA-N	248.391	4.537	0	10	BJAE	
CCC[C@H](CCC[C@H]1CCCC(C)(C)C1)NC	2024091069	FCYABGUSDUZDNT-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2CC=CCC2)C1	2024102426	SIDWCOQXLJOTNU-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CC(C)(C)C1(C)C	2025028966	LMPHAUGBGBNWMD-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C1CC(C2CC2)C1	2026065141	YMENGADBZVNEGB-LRVUVFPRSA-N	236.399	4.598	0	10	BJAE	
CCc1cccc(C(=O)C2(C)C(C)(C)C2(C)C)c1	2027150231	IKGNJQGBSKPWSL-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCCC[C@H](C)NCc1ccccc1CCC	2027901633	NXQIRKSEGOVQMK-HNNXBMFYSA-N	247.426	4.698	0	10	BJAE	
CC1CCC(N[C@@H]2CC(C)(C)CC3(CC3)C2)CC1	2030288889	RXRGKJTVTRRKNL-YMAMQOFZSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C)cc1	2035425394	SKAMKCMOKFWQQO-XIRDDKMYSA-N	245.410	4.614	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1CC1CC2(CC2)C1	2036733104	XYSQKBUHQDYPLB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](N)c1cccc(CC(C)C)c1	2037086911	GQCKRYHQDPRLJL-QGZVFWFLSA-N	247.426	4.711	0	10	BJAE	
CCC1([C@H](N)c2ccc(C3CCC3)cc2)CCC1	2037087641	RMRYBHSEDHUFKF-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
C[C@H](C[C@]1(N)CC(C)(C)CC2(CC2)C1)C1CCC1	2037163078	UCANLRZLYIGZFD-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
NCC1([C@H]2CCC3(CCCC3)C2)CCCCCC1	2037687151	QMJUOLYHXMRRAV-HNNXBMFYSA-N	249.442	4.646	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@H]1CCC2(CC2)C1	2038571640	LEIRWEIUJZGWAI-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC[C@@H]1CC12CCCCC2	2039056892	ANWPDNKXNDXNRZ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC23CCCCC3)c(C)c1	2039057399	FHXZHKJEXMZPET-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
CCCNCC(=C[C@@H]1CC12CCCCC2)C(C)C	2039078550	JCNAUWXWKMNTTK-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC23CCC(CC2)C3)C1	2039419118	BLTJVDQRIIYWFH-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC1CC2(C1)CC(C)(C)C2	2039462873	YNVOUQMMMHTRJV-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC1CC2(CCC2)C1)C1(CC)CCC1	2039720504	SQTZDINJWASODS-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C1=CC[C@H](N[C@@H]2CCCC3(CCCCC3)C2)CC1	2040762978	KNMGUURFGLCXRG-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NCC1CC2(CCC2)C1	2041838000	SHHGWXHCBSAQSJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC(C)(C)C1CC1)[C@]1(C)CC=CCC1	2042023032	XXUNJFAZNXUSBS-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](NC1[C@H]2CCC[C@H]1CC2)C1CCCCC1	2042050227	PGFVZEGQNBVKPK-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(C(=O)C2CC(C(C)(C)C)C2)c1	2042999965	IUYGUKGZVLAUDT-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C[C@H]1C[C@H]1C1CC1	2045315314	SIKHDHXSYAGEOF-KMFMINBZSA-N	246.394	4.518	0	10	BJAE	
OC1(C[C@H]2CCC=CCCC2)CC2(CCCC2)C1	2045342267	HSKGAPXKBIQBGX-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(F)ccc1C(=O)[C@@H]1CCCC(C)(C)C1	2045448740	DVQPTVOSMYTPKO-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
C[C@H](c1ccccc1)N(C)[C@@H]1CCCC(C)(C)C1	2045529398	LWKYZKOAXSHHKK-GDBMZVCRSA-N	245.410	4.648	0	10	BJAE	
CN[C@@H](CCCC(C)C)c1cccc(C(C)C)c1	2045633777	ZYCNTGYLJVOAEK-KRWDZBQOSA-N	247.426	4.897	0	10	BJAE	
CN[C@H](C[C@@H]1CC12CCCC2)C1(C)CCCCC1	2047020147	NRIFTHQLZZTWMD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@@H]1CCC12CCC2	2047928375	JQIXLAVUTAXCBT-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C1[C@@H]2CCCCC[C@@H]12	2049215620	UAEDJULAKWZCCG-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)[C@@H](CNC2CC2)C12CCCCCCCC2	2049678185	KBONAZQEEZYMQP-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@@H]1CCCC2(CC2)C1	2049849841	TUXQFPQCUZZIIQ-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1CC(C(=O)CC2CCC3(CC2)CC3)C1	2049935844	NEJBMBMEXUPDFG-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCCCC(C)(C)C)c1cccc(C)c1	2050440350	GBHOFIYNDLWWNI-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCCCC23CCC3)cc1	2053359907	OWZDLLDZSJYMTG-OAHLLOKOSA-N	242.362	4.538	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC(C)C)(C2CC=CC2)C1	2053693925	IFUZFVDSMDHPKA-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC=C[C@H]1NC1CCC(C(C)(C)C)CC1	2055564682	KYQWWLQUFWAVPS-SLTXQBBLSA-N	249.442	4.536	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CC2CC(C3CCC3)C2)CC1	2058992270	QLHXLKBIKWDZEL-KNLHSXBVSA-N	248.410	4.598	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCC[C@@H](C3CC3)C2)C1	2059489538	FCHPPSAMABYKPM-JCUPBUFNSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC=C([C@@](C)(N)[C@H]2CCCC(C)(C)C2)CC1	2060912923	HXRHGPQRDOUBBF-UKPHBRMFSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@H]1CCC[C@@H](C)C1	2060923962	BEMOUHWTWFQGJS-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@]1(N)C1=CCC(C)(C)CC1	2061120199	VTRPJCOOIIMQBN-UNEWFSDZSA-N	249.442	4.523	0	10	BJAE	
C=C=CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NCC	2061564133	WHUKSMSZVLANJH-ARFHVFGLSA-N	249.442	4.548	0	10	BJAE	
C=C=CCC[C@H](NCC)C(C)(C)C1CCCCC1	2061569843	ASKCPOYADLWYRT-INIZCTEOSA-N	249.442	4.692	0	10	BJAE	
C1CC[C@@H](NCCCC2CCCC2)C2(CC1)CC2	2062019410	VTKIPVHCYXVAPF-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCCCCC23CC3)c1	2062019992	YAQYHQPSYZILFZ-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H]1CCCCCC12CC2	2062199938	XCVXUHRXIDPQNE-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CC2(CC([C@@H]3CCC(C)(C)C(=O)C3)C2)C1	2063818611	ULMXYZZCZQYWBN-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)[C@@H]1CCC2(CCCC2)C1	2068268521	WEOXETGXQPVBMQ-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CC(C)C(CC=C1CNC2(CCCC2)C1)C(C)C	2068945171	ACVSGWAIGWMGMB-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CN2CCC[C@@H]3CCCC[C@@H]32)CCC1	2069282612	MFWZQKIVCWIRBT-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@@H]3C[C@@H]23)CCCCCCC1	2071054627	IAYHBGQZFZNJJK-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)C[C@H]1C[C@@H]1CC	2071509280	ALTJLJJMAXYUEN-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@@H]1CC)C1=CCC(C)(C)CC1	2071512407	UQFWOXBWXSJUOR-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)C1(C(C)(C)C)CCC1	2071932711	HPDWWICYFLVVTL-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@@H]2CCC23CCCC3)CC1	2072681997	PCBYSZMOKNSFKU-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C2CC(C3CC3)C2)CC1	2072694337	BJGCFOVGJGRFEU-YCVWASFZSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C[C@H]2Cc3ccccc3N2)CC1	2072814114	ZEPARWAAQRFUQO-XUJLQICISA-N	243.394	4.630	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCCCC2)CC[C@H](C)C1	2075363999	USTGEVZGUAZTJY-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
C1=C[C@@H](N2CC[C@H]2C2CCCCCC2)CCCC1	2075404439	ZCJKYIUTTNQZEQ-SJORKVTESA-N	247.426	4.530	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@H]1C[C@H]1CCC	2079448199	ULTWRWMXRVAYIO-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1C[C@@H]1c1ccccc1	2079844365	VCEZOMQHXVONPW-NUEKZKHPSA-N	244.378	4.576	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@@H](CC)c1ccccc1	2079865198	NWWNXOIVYOGUPY-PMPSAXMXSA-N	244.378	4.576	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC1(N)CCC(C2CCC2)CC1	2079870995	PUVSQETZSCRGCS-VUROTCPHSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](N)c1cc(C)c(Cl)c(C)c1	2210143204	YHHMHRZGQBDZMK-ZDUSSCGKSA-N	239.790	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@](C)(O)CC1CCCCC1	2215249041	ILRCEAQYECHCIU-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)c1ccc(-c2ccsc2C=O)cc1	2215939822	GWIYHLMYYRRVHC-NSHDSACASA-N	244.359	4.741	0	10	BJAE	
CC[C@H](CN[C@H](C)CC)C[C@H]1CC[C@H](C)CC1	2217152357	DDCCHBZKDVVQBE-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@]1(CN[C@@H](C)CC)CC1(C)C	2217152661	GOKSQJGHJKJSNO-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)C[C@@H]1CCC[C@@H]1C	2217153220	KMDQAYKECZOVES-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H]1CCc2cc(C)ccc2N1	2217469667	UKSUDJJPEZFJHF-IUODEOHRSA-N	231.383	4.548	0	10	BJAE	
CC1(C)CCC[C@@]1(N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218356331	LVIWAXLZCOOZMM-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](CC2C[C@H]3CCC[C@H](C2)C3)N1	2218362622	ZPBIIOQSTZUPFV-NXNVCVFFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H]1c2ccccc2NC[C@@H]1C	2220921683	ZSLBMOLXCPEQOB-XGUBFFRZSA-N	243.394	4.658	0	10	BJAE	
CCN[C@H]([C@@H]1CC[C@H](C)C1)[C@]1(C)CC=C(C)CC1	2221633416	UMLIKOLHXSSFNW-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CC(NC[C@@]2(C)CC=C(C)CC2)C1	2221637977	MAVLJNLFMKRKOL-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)c2c(C)cc(C)cc2C)C1	2221934519	AUUUTFQZRPGQTK-LSDHHAIUSA-N	244.378	4.621	0	10	BJAE	
CC[C@H](C)NC[C@H](c1cccc(C)c1)[C@H](C)CC	2223551928	UBGHFXKNNBZGPH-VYDXJSESSA-N	247.426	4.513	0	10	BJAE	
CC[C@@H](C)NCC1(CC23CCC(CC2)C3)CCC1	2223596356	PYDZLSSRKGAVPB-QQFBHYJXSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C(=O)Cc1ccc(C2CCC2)cc1	2223634137	GSXQWLBSJADNIK-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
Cc1cc(NCCCCC[C@@H]2C[C@H]2C)cs1	2243910571	ZYMDBBHTCFCOKM-DGCLKSJQSA-N	237.412	4.685	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)C[C@H](C)N	2244844465	ALTJJAGFCFTFCQ-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)C(C)(C)N	2244866894	ITANATWMWQHISV-KBPBESRZSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(O)CCC[C@@H](C)C2)C1	2246690519	DXHQMSZPLLTGAH-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@H]1CCC12CCC2	2247438695	GFRSQISBPWOEBV-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
C[C@H]([C@H](N)CCCCC[C@@H]1C[C@H]1C)C(C)(C)C	2248841753	OZHQVYRAJGZWMC-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCC(C)(C)C1CC1)NC	2250358393	MDNUVFCUZAZDEL-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@@H]1CC12CCCCC2	2250365778	IVHFRLHORSUCSY-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CCCCN)CC1CC(CC(C)(C)C)C1	2251604851	AISLUWLAGCCQHG-NFOMZHRRSA-N	239.447	4.604	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(CC2CCCC2)C1	2251667342	UXVGODQHSZOCIF-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC1CC(CC[C@H](O)CCC2CCCCC2)C1	2251765976	XHUFSBFGGRFANI-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](C[C@H]1CCCCC12CC2)CC1(C)CCC1	2253782806	LGNDRZKMTUQHES-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CC[C@H]2CCCCC23CC3)C=CCCCC1	2253860445	ZFWFLPKPXCJAHO-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@@]2(C)C=CCCC2)C1	2253931976	AKHHNVRRFJDDQS-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2(N)CC3(CCCC3)C2)C1	2253998714	VTMPQRZOJTXWDM-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CC2CC3(CCCC3)C2)C1	2254053816	GHIDCRWTFUKIJN-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)CC2CC3(CCCC3)C2)C1	2254102610	CVUIOVIQTNPWRZ-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)C[C@@H]1CCCCC12CC2	2254945827	OYFMGMVMGPYNIC-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H]1CCCCCC[C@@H]1CC1=CCCCC1	2255091677	MREHTQPARMAYQK-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@@H]1CCCC12CC2	2255246403	MRSDLRABQMFHNJ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C=C=CC[C@H](CCCCC[C@H]1C[C@@H]1C)NCCC	2257238606	DKEOZUHOXXKVIU-YESZJQIVSA-N	249.442	4.692	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@]23CCCC[C@@H]2CC3)CCC1	2260509593	WLBIIBKCDWHOLE-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
c1cc(NC[C@@]23CCC[C@@H]2CC3)cc(C2CC2)c1	2260578875	NXAHGARRUSCNFX-WBVHZDCISA-N	241.378	4.556	0	10	BJAE	
CC[C@@H](C)C[C@H](N)CC=C(C)CCCC(C)C	2300875256	SRCWCCLYFDJWFP-GDBMZVCRSA-N	239.447	4.913	0	10	BJAE	
CCC[C@](O)(CC)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301135201	HVYGOYRRWHKISG-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1cc(F)ccc1C(C)C	2301913150	OVKOTEXVYQWWIA-FZMZJTMJSA-N	235.346	4.550	0	10	BJAE	
N[C@H](CCCCC1=CCCCC1)c1cccs1	2302358940	LNROWZOSMWGJOW-CQSZACIVSA-N	249.423	4.809	0	10	BJAE	
CCC(C)(C)CC[C@H](CCC[C@@H]1C[C@@H]1C)NC	2302613845	VZQOJRYGWLAPMA-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC(=O)CCC1CCC1	2303476457	RTSMQBDSQHLRKD-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](C)CCNC(C)C)CC1	2303581020	ZIECROAXRJDNHR-CJNGLKHVSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](N)c1cc(C)ccc1C(C)C	2307505883	NLKQDXPYDRXCHY-MRXNPFEDSA-N	233.399	4.699	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](c2nc([C@H]3C[C@@H]3C)cs2)C1	2307698009	YBNGUMPUKZGKLH-OFTGVCEQSA-N	249.423	4.806	0	10	BJAE	
CCC[C@H](CC)CC1(O)CC2(CC(C)(C)C2)C1	2307835006	MXXVYBRGUNFFBA-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC(C)C)C=CCC1	2307843812	PIYPGVDEKSNEJU-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)C[C@@H](C)CC(C)(C)C1	2307880460	WOMYHPIPWOWBMA-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CCC[C@@H](C)CC1	2307892822	JYUYUUIGAVSNIP-QXSJWSMHSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CCCCC1CC1)NC	2307899263	PGZKZUZQNVXBBQ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNCC)CCC1(C)C	2307899940	SKUQHPAYBACVTE-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@@H]2C[C@H]2C2CCCCC2)C1	2311570116	CPWXRYZSXVDPLM-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2312458918	SAYKRGHNZZVAPW-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@@]12CCC[C@@H]1CC2	2313332207	PEVQXKXZNKZIQD-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](c1ccc(N)cc1)C(CC1CC1)CC1CC1	2313694349	DXFPJJUAKRWWEV-LBPRGKRZSA-N	243.394	4.589	0	10	BJAE	
CCCC1([C@@H](N)c2ccc(C)c(CC)c2)CCC1	2314632614	NSERXLWECPGXBF-INIZCTEOSA-N	245.410	4.528	0	10	BJAE	
CCC(CC)CCN1CCCC[C@@H]1c1ccco1	2316276244	WAWSBPLYYCKCIS-OAHLLOKOSA-N	249.398	4.633	0	10	BJAE	
CCC(C)=CC[C@]1(CNC2CC2)CC[C@H](CC)C1	2316492742	UVKDYUJZHLFDHC-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H](C)CC=C(C)CC	2316539405	JRKRIEKSAXSIDN-WBVHZDCISA-N	245.410	4.720	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)[C@]12CC[C@@H]1C2	2317009109	HXBBUJBBTOCMJA-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H]1c2ccccc2NC[C@H]1C	2317950391	IVGWJLUGNDBHJT-XJIUQZFPSA-N	245.410	4.760	0	10	BJAE	
O=C(CCCC1=CCCCC1)C[C@H]1CC[C@@H]2C[C@H]12	2318504026	UIJQVSWWXIGRBD-BFYDXBDKSA-N	246.394	4.662	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CC2CCC1CC2	2318577532	XLWGMERALNBYCR-OFLPRAFFSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)C[C@H]1C=CCC1	2318943554	HMZXVBBXHYTEOC-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CCC[C@@H](C3CC3)C2)C1	2319318644	RPAGEXYKSAHARX-YSVLISHTSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCCN[C@H]2CCCC[C@@H]3C[C@H]23)CC1	2319344146	BRDICFWFUBRINB-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C[C@@H]2CC[C@@H]2C2CC2)C1	2319488684	DLJHDWGLLCRZEY-DZGCQCFKSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC[C@H]2CC[C@H]2C2CC2)C1	2319692774	LFMWYNPVRALNOR-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC[C@@H](O)c1ccccc1	2320244767	VBFMPXBKRXVBNZ-FVQBIDKESA-N	246.394	4.573	0	10	BJAE	
CC1=C(C)C[C@H](COc2ccc(C)c(F)c2)CC1	2320347755	KXPXPGUWZIBNSZ-CQSZACIVSA-N	248.341	4.649	0	10	BJAE	
Fc1ccc2ccn([C@@H](CC3CC3)C3CC3)c2c1	2320812754	OADOWHAEKKPIJU-HNNXBMFYSA-N	243.325	4.532	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@](C)(N)[C@@H]2CC23CCC3)C1	2321603491	SIAYRLKFNRINIT-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
Cc1coc(C)c1C(=O)CC[C@@H]1CCC(C)(C)C1	2321624206	FEHJNDSPBAFXLI-CYBMUJFWSA-N	248.366	4.686	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)CCCC[C@@H]3C[C@@H]32)C1	2321634192	PKGUGQXPCVLMIA-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C(C)C)C(C)(C)C	2327680111	CKPDZGXPEQXYEG-MRXNPFEDSA-N	247.426	4.815	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)[C@@H]2CC2(C)C)c1F	2327807580	IPZNTYQYZNAJRW-AAEUAGOBSA-N	249.373	4.796	0	10	BJAE	
CCC(C)(c1cccs1)c1cccs1	251234	VDXCXFZLWIFZLS-UHFFFAOYSA-N	222.378	4.526	0	10	BJAE	
CCC[C@@H](C)N[C@@H](C)c1ccc(CC(C)C)cc1	20565946	WUDUNLDCHKRKGO-CABCVRRESA-N	247.426	4.724	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)CCC(C)C)s1	22149476	QYBQTGLJPDAJRU-YPMHNXCESA-N	239.428	4.532	0	10	BJAE	
C=CCCCCCCCCOc1ccc(O)cc1	34752321	URLNRBBNFVLTKQ-UHFFFAOYSA-N	248.366	4.688	0	10	BJAE	
CCC(C)(C)c1ccc2oc(C(C)=O)c(C)c2c1	36928708	SWWPJMIOLZXDHI-UHFFFAOYSA-N	244.334	4.631	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(Cl)ccc1Cl	37188137	GHZLAENGYAWMTL-SECBINFHSA-N	246.181	4.984	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C)c1cccc(C)c1	37219489	BQQRAKKCBGZWQV-CVEARBPZSA-N	247.426	4.862	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)c1ccc(C)o1	37763813	PKDTXWBWXUGFCA-ZDUSSCGKSA-N	243.350	4.632	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc2c(c1)CCC2	69370500	XXHXXYDKXDTCBQ-OAHLLOKOSA-N	231.383	4.556	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cccc(Cl)c2C)C1	70747785	IPNPEIRPYUOXBL-VXGBXAGGSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(Sc2ccnc(Cl)c2)cc1C	82605750	UKDYKIMRXAFJSS-UHFFFAOYSA-N	249.766	4.503	0	10	BJAE	
CCC1CCC(N[C@@H]2CCC[C@H](CC)C2)CC1	83640270	CAHUPCHWEHBJSQ-BHDPWAOGSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1ccc2c(c1)[C@H](C(C)(C)C)NC[C@H]2C	84230575	IICUVCDRNJRJOB-MLGOLLRUSA-N	245.410	4.604	0	10	BJAE	
C[C@H]1CCC[C@H](C[C@@H]2CCc3ccccc3N2)C1	86317644	DBVQPAAKLDAEKU-DZKIICNBSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)C1CCCCCC1	87946800	KRNQMLZTCOSDNK-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(C2CC2)CCCCCN1	91875506	OEEITMUJEJTREO-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](N[C@H](C)CCC(C)C)C1CCCCC1	103985609	HFWAVTOWIGSGFK-GDBMZVCRSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H]1CNc2ccc([C@@H](C)CC)cc2C1	109608921	INQRVIKSDKKPSV-QWHCGFSZSA-N	231.383	4.584	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)C1CCC(CC)CC1	125465442	ZDIFANPWXUIVIY-KNIAUWFNSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@@H](C)N[C@@H](C)c1cc2ccccc2s1	126420980	LJJXCXATEJUXJE-NEPJUHHUSA-N	247.407	4.596	0	10	BJAE	
CC(C)[C@@H](C)N[C@H](C)c1cc2ccccc2s1	126421556	LJJXCXATEJUXJE-VXGBXAGGSA-N	247.407	4.596	0	10	BJAE	
CCCNC[C@@H](C1=CCCCC1)C(CC)CC	161451548	WZRBCICYHDUIIU-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(-c2ccc(C(C)(C)C)cc2)c(N)c1	164287345	SPJWVJHASMEFAZ-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
C[C@@H](CC(=O)CCCc1ccccc1)C(C)(C)C	165197318	BOVCFEGNQDMGIB-AWEZNQCLSA-N	246.394	4.651	0	10	BJAE	
CCCc1cccc([C@@H](C)CCNC(C)(C)C)c1	166311828	UIUXBFVCBRCRSU-AWEZNQCLSA-N	247.426	4.521	0	10	BJAE	
Cc1cc(C)c([C@H](N)C[C@@H](C)C(C)(C)C)cc1C	168669979	UMSSYDGPKMFCGC-GDBMZVCRSA-N	247.426	4.684	0	10	BJAE	
CCCN(CCC)CC[C@@H](C)CCCC(C)C	196383892	XFLGMKAEODGVHQ-INIZCTEOSA-N	241.463	4.961	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CC[C@@H](CC)[C@@H]1C	225192403	AZCBTGGQQYPSNW-QKPAOTATSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@]1(N)CCC[C@H](C(C)C)C1	231014311	ABWSDMKSWIDCCP-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(OC2CCCC2)cc1	232357746	CIMYBMVNTKTQFO-LBPRGKRZSA-N	218.340	4.522	0	10	BJAE	
CC1([C@H]2CNc3c(Cl)cccc32)CCCCC1	232821899	JWSZIBUBAVWWTQ-LBPRGKRZSA-N	249.785	4.820	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)c1ccoc1	233119562	MOUJQPHSGRTQFM-INIZCTEOSA-N	247.382	4.601	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC)C1(CC)CCCC1	233131567	YCECYYVWZJLOKX-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1c1ccc2c(c1)CCCN2	233909109	XWYXMMCMUYGJLR-CJNGLKHVSA-N	243.394	4.729	0	10	BJAE	
CCc1nc(-c2csc3ccccc23)cs1	259203807	IJHXYPMYTZZCHM-UHFFFAOYSA-N	245.372	4.587	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@H](O)CCCC(C)(C)C)C1	305900934	BIZMUJLOFLQHDZ-NWANDNLSSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	308051510	DQYCTUJOWZCNGG-LJISPDSOSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](O)([C@@H](C)CC(C)C)C1	310177252	RSQAWVAINZJLQU-HRCADAONSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)C[C@@H]1CCC[C@H](C)C1	310492492	HOLFJFWYHKLGHK-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(OC[C@@H]2CCC[C@H](C)C2)cc1C	310547884	VNXPCEBQNGLYDJ-SWLSCSKDSA-N	232.367	4.509	0	10	BJAE	
Fc1cccc(N[C@@H]2CCCC23CCCCC3)c1	313037007	NCFLMVPZSHALTG-OAHLLOKOSA-N	247.357	4.741	0	10	BJAE	
CCCCC[C@]1(CNCCC)CCCC[C@H]1C	319097255	DKQRXNICRSNZJK-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](CC)[C@@H]1C[C@H]1C	321043830	FTSYFFIVXVILEV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC/C=C\c1ccccc1)C(C)(C)C	324331748	WLMVVBTUTYYXRV-RCBBPTIPSA-N	245.410	4.504	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C[C@H](C)CC(C)C)CC1	328378216	YBEYVESBTBEOGP-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1ccc(C(=O)C2(C)CC2)c(C(C)C)c1	380634744	DUMZVXDCSGINFL-UHFFFAOYSA-N	244.378	4.916	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C1(CC)CC1	383504764	ZUKGJYJLVXLRTR-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@@H](O)CC2CCCCCC2)CCC1	383925456	RROFSKZIAJPPMC-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
O=C(CCC1=CCCCC1)c1ccccc1Cl	384840452	ILGWNYDDNFNBBN-UHFFFAOYSA-N	248.753	4.803	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CC3CCC2CC3)c1	394314046	BFKZGCCSTNRYGQ-ORHYLEIMSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc(C)c2sc(C(F)(F)F)cc12	396192172	DUVVPLGQBUYPQF-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCc1c(C(F)F)cc2sccc2c1F	396239233	KNRQFLDLWOJZOL-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CC=CCC2)CCCC1	402265078	SRWUVQCTHFXZTR-OAHLLOKOSA-N	248.410	4.908	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)[C@@H](C)C(C)C	688914885	NSEXCVBVSGIXCS-WMLDXEAASA-N	247.426	4.753	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@@]12CCCC[C@H]1C2	693186708	VNQAKUOENKQKRZ-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NC[C@@]12CCCC[C@@H]1C2)C1CCCC1	693559940	VJMJOIYYUHRLEF-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc([C@@H](C)N[C@H](C)C(C)(C)CC)cc1	695098640	MGQYLFOGWQSNQB-ZIAGYGMSSA-N	247.426	4.724	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@H]1C1CC1	696112753	SWOLCLWXIXDYDA-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@@H]1CCC[C@H]1C	696560908	LHRJOIOJRPDQMO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CNC(C)(C)C)C1CCCCC1	696818798	WAVOUGCIUZMHAM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C	697598575	JUPGXKRDYCURQL-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C1CC2(CCC2)C1	700829804	AFEYFEJRBROWEW-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C(C)(CC)CC)C1	701291940	RVQIXPVBSLYCKC-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@H]1CCCC[C@H]1C	704861412	JRYNYJAATKGING-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1)[C@@]12CCCC[C@H]1C2	709101189	ZZYQMDCFBMBTSM-HUBLWGQQSA-N	249.785	4.721	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C[C@H](C)CC(C)(C)C)C1	709188095	NCNMEDIOZKQMGA-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H](C)CC(C)C	709209637	FODYEDIKOWQWFU-ZIAGYGMSSA-N	226.404	4.844	0	10	BJAE	
Cc1cc(N[C@H](CCC(C)C)C2CC2)cs1	710756968	ALVLCZXTDAONRY-CQSZACIVSA-N	237.412	4.683	0	10	BJAE	
CCC[C@@](N)(C[C@H](C)C(C)(C)C)c1ccccc1	710759293	FAZAZBJHSGAGTM-WMLDXEAASA-N	247.426	4.713	0	10	BJAE	
C[C@H](CC(=O)CC1=CCCCC1)C(C)(C)C	711149934	UXPURXXYIQCSON-GFCCVEGCSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H](C[C@@H](O)CC1CCCCC1)C(C)(C)C	711183328	VWTNUVGQADJDOH-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C[C@@H]3CCCC[C@@H]32)c1	712406840	FYEWDRKFFAHVEU-BHYGNILZSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)CC1CCCCC1	713042361	JDEVQEGRFGBLJE-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	714397898	VBLROXCQTHRDME-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@]1(C)CC1(C)C	717150113	YAIKNDKTYSMHND-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@H](C)C1CCCCC1	718685012	BJLRCTHVWPBOGD-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C[C@H](N)CC1CC(C)(C)C1)C(C)(C)C	723558047	SFWISKPQTRPBGO-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2CCC[C@@H](C(C)C)CC2)CC1	1560774788	SBXGGPNNJWWLAR-ZACQAIPSSA-N	249.442	4.680	0	10	BJAE	
Cc1cc(Cl)cc(O[C@H](C)[C@@H](C)C(C)C)c1	1901616759	KKRHQIAENDBLMG-NWDGAFQWSA-N	240.774	4.708	0	10	BJAE	
Cc1sccc1-c1cccc2c1CCCC2	1901897537	LXZBHPLJYKHJIY-UHFFFAOYSA-N	228.360	4.602	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1C[C@H]1C(C)(C)C	1910705948	IDWOLWMYVQZFPM-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CCC=Cc1ccccc1	1911836702	VGLFCBFLMAVDNK-QGZVFWFLSA-N	246.394	4.667	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCC=Cc1ccccc1	1912094002	JPUZPYKDEVRVRB-HNNXBMFYSA-N	245.410	4.504	0	10	BJAE	
CCCNC[C@]1(CC2(C)CCCCC2)C=CCC1	1916351585	UQJQVEGTSPCMQJ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCNC[C@@]1(CC2(C)CCCCC2)C=CCCC1	1916566442	VEFQLBJOEVYQQJ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@@H]2CCCC23CCC3)C1	1921585370	FOKVCSMRTUEZAL-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@H]1CCCC12CCC2	1921614964	JUDFREXMWQIHLN-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@H](C)C1CCCC1	1924128069	YHYUUNVTMWUICC-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H]1[C@@H](CN)CCCC12CCC2	1924836333	HFJBCZNHNZMHNL-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](C(=O)C[C@@H]1C=CCCCC1)C(C)C	1925774228	LQSHUNFUPXZEFY-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCCCC2)CCC[C@@H]1C	1925798561	MPAAPBOGJMFWLY-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CC[C@@H](N)[C@H](CC2(C)CCCCC2)C1	1940415637	OAHJVJXSBXLDPD-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](CC1(C)CCCCC1)NC	1940417551	WUQNGULBBVZUIP-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C[C@H]1CC[C@@H]2C[C@H]12	1940629904	HXBVRFQQZHMZLN-IXYNUQLISA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC2CC(C)C2)cc1	1940687926	IMVIWWMOKSRWLJ-ROKHWSDSSA-N	232.367	4.625	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](N)CCCC(C)(C)C	1941266961	LYDKOSCQALFMND-GJZGRUSLSA-N	241.463	4.848	0	10	BJAE	
CCC[C@@H](C)CCNC1C(C)(C)CCC1(C)C	1942803439	NQGPZXHQMYNYKI-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC[C@]1(C)C=CCCC1	1943135368	JSSQMXUAIDWRNX-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)C(C)(C)C1CCCCC1	1944611813	YMRBDGMNUORJFV-GZBFAFLISA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C[C@@H]1CC1(C)C	1944742706	XMEJTDSDILGWAS-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)c1cccc2sccc12	1945970586	QHEYXSDLSSORLH-AWEZNQCLSA-N	247.407	4.583	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCCC[C@H]1CC	1947466866	JUFFNPFLRFGLCV-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)C[C@@H](C)CCC1=C(C)C	1948964881	SFODBMARCRAMIK-OFQRWUPVSA-N	237.431	4.667	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](CC)CC1CC1	1950099691	HQXAQIUULWRZQJ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1csc(C(=O)[C@@]23CCCC[C@@H]2CCC3)c1	1950215705	SURHYNDOMMTIDR-IUODEOHRSA-N	248.391	4.600	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@@H]1CCC[C@H](C)CC1	1950923151	DYZXXCQXQMAUCG-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)C[C@H](C)c1ccccc1	1962915581	XYVSVXSADLWBOR-JKSUJKDBSA-N	247.426	4.547	0	10	BJAE	
CCC(C)(C)CCN1c2ccccc2CC[C@@H]1C	1968431219	XWINHQBEMKHACK-AWEZNQCLSA-N	245.410	4.654	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@H]1N[C@H](C)c1ccccc1	1969249968	PCUYZKGRVFRORE-SQWLQELKSA-N	245.410	4.552	0	10	BJAE	
CCC1(CN[C@@H](C)CCCC(C)C)CCCC1	1971014772	NVENTHLJMNZLDH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](NC[C@H](CC)C(C)C)c1cccc(C)c1	1973388427	XCHMPENZFLAFAZ-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CCCC(N)(CCC)[C@H]1CCCC(C)(C)C1	1978344027	QKNIGDDNMMNCJO-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCCCC[C@H]1O	1980333748	HKPIJMHNNZGUBP-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)C[C@H]1CCCCCCC[C@@H]1O	1980351253	MLPNSMSWWYDONZ-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
C1CC1=C1CC(CCC23CCC(CC2)C3)C1	1986677936	OWJFHZRXUKUBIF-UHFFFAOYSA-N	216.368	4.847	0	10	BJAE	
C[C@H]1CC[C@H](COc2ccc(Cl)cc2)CC1	1989838367	FHCRQSCBPMPFQL-HAQNSBGRSA-N	238.758	4.545	0	10	BJAE	
CCCC[C@H](CC)NCCCCCC(C)C	1990049738	RRHJYTJUTPCWMB-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCCCC[C@H](CC)NCCCC(C)(C)C	1990094507	WNSATKPJMLVBQP-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@H]1CC[C@@H](C)C1	1996270931	PRUBMIFHPAZYQW-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCSc1ccccc1N[C@@H]1CCC[C@@H]1C	1996572468	DPKFEIMXAUPQTJ-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)C1CC(C)(C)C1	1998648121	BMBWZSKTOTVOAP-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCC=CCCC2)cs1	1999979818	VMNMRWBDTFRRSA-ZDUSSCGKSA-N	248.391	4.766	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H]1CCC=CCCC1	2000001027	HWSFZOLIEFXLTJ-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CCC(C)C)C1(C)CCCCCC1	2000371978	KBZVDMCIKWGPEY-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@H](CCC)C(C)C	2002508413	AZOBSTCVZHXKHQ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)CC2(C)CCCC2)C1	2003013355	GWEAJWNMMMQRMY-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@H]1CC[C@H](C)CC1	2003067628	WUMWHSZCVWEYJF-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@H]1CCC(C)(C)C	2003101613	UZBOZPBSPGWCMF-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@H]1CC[C@H](C)CC1	2003103488	KPEMPEUMHUOUNR-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CCC([C@H](O)C(C)(C)C)CC1	2003109659	XDZSWUXWYJXOON-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@H]1CCCC2(CC2)C1	2003215933	YPLHWSCIAQVEBR-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@]1(C)C=CCC1	2003326319	YHYRANLSXCVGJS-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(O)(CCC(C)=C(C)C)CC1	2004339218	MSBMLHICNWRMGA-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
C[C@H](N[C@@H](C)C1(C)CCC1)C1(C)CCCCC1	2004839666	JUIIBUOUTCNQSF-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@@H](CCC2CCCCC2)C1	2006630398	WNELIZGMJVDYQN-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H](C)C(C)(C)C)CC1	2007681530	MPIUUQUFFXXQMJ-UYJPIKCFSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](NCC)C1(C)CCC2(CC2)CC1	2007694913	IPDVONIQZYPXMF-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1CC(CC)C1	2007772138	CRAFBULNTXYNJW-NRXISQOPSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@@H](C)CC(C)(C)C	2009547853	LSOXLRDZKYWALB-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H]1CCC[C@@H](C)CC1	2009628121	LZNKWCDVQXLGAK-XWYFBGFKSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H](CC)CCCC	2009629938	VKXXWRSNANACMT-ZZQZRYSSSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCCC1(CNCCC)CCCCC1	2009630863	YFMCHMUUNHLTIQ-HWKANZROSA-N	237.431	4.683	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CC[C@H](CC)C1	2009634602	HWGKKGKMGFLHOW-UHKIINPBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](O)(CC)C1=CC[C@H](C(C)C)CC1	2010714919	SDSPRNQPJAUVPM-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1C[C@H]1CCCC1(O)CCCCCCCC1	2011561079	ISSQTDNZEVRIQL-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
Clc1ccccc1NCC1C[C@@H]2CCC[C@H]2C1	2011968438	BVJBPHNRUZYGCU-STQMWFEESA-N	249.785	4.578	0	10	BJAE	
CCCCC[C@H](O)c1sc2ccccc2c1C	2014290809	DTWVUCAWFKTNBD-ZDUSSCGKSA-N	248.391	4.823	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](N)C(C)(C)C1CCCCC1	2015272944	RNAKGNXIPGYBGE-DZGCQCFKSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)CC(C)(C)CC	2015282340	UXBPHPQWRUFBOE-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCC1(CC(=O)[C@@]2(C)CC=CCC2)CCC1	2015595143	LAUCWKXRTKOYAS-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
CCCC1(C[C@@H](O)[C@@H]2CCCC2(C)C)CCC1	2015631386	FUBPXXOYZHCJEK-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C1=CCCCCCC1	2016114593	IRDZPLDDWWIJNA-INIZCTEOSA-N	235.415	4.731	0	10	BJAE	
CC(C)C1(C[C@H](O)[C@H](C)CC(C)(C)C)CCC1	2017118494	HVIWACWQQSYOJP-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2CC[C@H](C)CC2)C1	2017720850	IJRFMLAIYZZTME-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)CC(C)(C)C)CC1	2017723471	KDEYCJJPPPLRDQ-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C1=CC[C@H](C(C)C)CC1	2017794829	VSSYUAZCDFINNC-XJKSGUPXSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)NCC1CCCCCCC1	2018080540	SDGYCWQTOREBFV-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CC[C@H]1CCCCCN1[C@H]1CCCC[C@H]1CC	2019204554	XLVVDLGMNIUWCB-PMPSAXMXSA-N	237.431	4.610	0	10	BJAE	
CCCCN(C1CCC1)[C@H]1CCCC(C)(C)C1	2020634871	DOPWIIDRDPLDAT-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1C[C@@H]1C(C)(C)C	2022453672	IDWOLWMYVQZFPM-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H]1CC(C)(C)C[C@H]1CCC(C)(C)CC	2023615198	CVERZQHVOOFVMH-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(CC2(C)CCCCC2)C1	2025631734	LHEWHRPCEPHKEE-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](NC)c1ccc(C(C)C)cc1	2028252955	SAMMXLFBWURHIZ-DLBZAZTESA-N	247.426	4.753	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1C1=CCCCCC1	2028751165	PYZUDQMLTFYEMV-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CCC[C@H](CCNCC2CCC=CCC2)C1	2028891461	IECRZKWLPWBBTG-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1ccccc1C1CCC1	2029069815	NQQIMCVPNGKBRY-OLZOCXBDSA-N	244.378	4.819	0	10	BJAE	
CCNC[C@@]1(C[C@H]2CC=CCC2)CCCC1(C)C	2032107297	WDVYIWSMHFKLFN-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@]1(N)CC(C)(C)CC2(CC2)C1	2032509147	HWCLUGPJCWKBJG-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNc1ccccc1C1(C)CC1	2032510998	SLXQABURFUFPMM-ZIAGYGMSSA-N	243.394	4.586	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@@H]1CCC1(C)C	2033561978	SXKFMARLGQUSAK-JKSUJKDBSA-N	245.410	4.507	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CC[C@H](C)[C@@H]2C(C)C)c1	2035406260	APQDMJZHKRWOQW-BJJXKVORSA-N	249.373	4.617	0	10	BJAE	
CC(C)C1(CN[C@H]2CCCCC23CCC3)CCC1	2035890077	XEJGIUKRPLEUKD-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@@H]1CC12CCCC2	2036120393	ARKXPFARRNMTGT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NCC1CC(C)(CC)C1)c1ccccc1	2036477872	QEXSLTCMMSCDAE-WIHSUSGWSA-N	245.410	4.554	0	10	BJAE	
CC1(C)C[C@H]1CCCC(N)(C1CCC1)C1CCC1	2037179543	OGZNJIMHXWGLKD-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@@H]1CCC2(CC2)C1	2038572204	OUIXYHRKGCMAFS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@H]2CC=CCC2)CC1	2039381925	VCINIUWXPIPCDY-DOTOQJQBSA-N	249.442	4.668	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2CC[C@@H](C)C2)CC=CCC1	2040171166	CCQFBFCBODORJD-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CC12CC2)C1CCC(C)(C)CC1	2040647289	LITFKZPSLUHJAY-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)[C@@H]1CC=CCC1	2042020188	VHPVWIXONIPKEO-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@@]1(C)CC=CCC1	2042067822	PGVHHMZLMFLNKT-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1CC([C@H](C)Nc2ccccc2C2(C)CC2)C1	2043542595	CGONHRWSDNCVGZ-MOKVOYLWSA-N	243.394	4.585	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2C[C@@H]3C[C@@H]3C2)cc1	2045847534	JZRRKLCDHYQMCB-DARAHFNDSA-N	244.378	4.625	0	10	BJAE	
FCC1(CNc2cccc(C3CCC3)c2)CCC1	2046901211	LLJRWZZIHOUMNY-UHFFFAOYSA-N	247.357	4.506	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047423927	FXHGRCLMFSLMIE-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@H]1[C@H]2CCCC[C@H]21	2048439076	GQGAJOXAXDRFBU-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C1CC(CC)C1	2048592768	GANRTDJTBMVESX-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CC1([C@@H](N)[C@@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2049212870	VZZDYZKILJUPPN-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCC1(C)CC=CC1)[C@@H]1CCCC(C)(C)C1	2049539788	JAXGWVFTBURFGL-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@H]1CCCC2(CC2)C1)C1(CC)CC1	2049853720	FSUIYVPLYYQYOC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CC1)CC1CCC2(CC1)CC2	2049855755	JXFGZEHARPABPI-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC1(C)C)[C@]1(C)C=CCCC1	2049997044	KWYNERMIVPTPDB-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CC[C@H](C)[C@H](C)C2)cc1	2050462422	CBUQNNSFLJHXGT-RRFJBIMHSA-N	244.378	4.640	0	10	BJAE	
CCN[C@H](CC=C(C)C)c1cccc(C2CC2)c1	2051407431	YFKICTAGBDUYNZ-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC1=CCCC[C@H]1N[C@H]1CCCCC12CCCC2	2055672570	URODZNPAZGUJJV-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC1(C)CCC(C)(C(=O)c2cccc(F)c2)CC1	2056539283	IAMROBDAOROAFN-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CC(C)C1CC(C[C@@]2(N)CCC23CCCCC3)C1	2056647154	YXAVCCYAYAGLNT-DQPZFDDXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@@H](C)C1CCCCC1	2056873551	OJGDCNWPLBRXEY-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@H]1CC[C@H](C)C1	2056876190	OBWPIXRUAVANAN-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H]1CCCC12CCC2	2059253499	RADPCYHBVQCZOO-KADIJHKTSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC1CC1)C1=CC[C@H](CC)CC1	2061084368	JINVPUAKDIDETM-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC=C([C@@]2(O)CCCCC23CCC3)CC1	2061089629	VCQRKEVAJKEGMY-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C2=CCC(C)(C)CC2)C1	2061116141	NHCGZPYWFBILSU-KMFMINBZSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(CN)(CC[C@]23CCC[C@@H]2C3)CC1	2061622454	LWCODIMGIXGMRG-MYBQVCMBSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](C1CC(=C2CC2)C1)[C@@H](C)[C@H](C)CC	2061650773	OIQJXXAQIBODPB-IGCXYCKISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2CC(=C3CC3)C2)CC1	2061696266	NTYVFRRMGZLRRR-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
CCCc1ccc(NCC2CC(=C3CC3)C2)cc1	2061720822	NMZMRHIFROQBJJ-UHFFFAOYSA-N	241.378	4.551	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](CC1CC(=C2CCC2)C1)NC	2061737793	VGAHHWMAMFFESV-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(OCC2C[C@@H]3CCC[C@H]3C2)c(C)c1	2063531765	OJKRTELUZSDYBT-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
C[C@H](C[C@]1(N)C=CCC(C)(C)C1)C1CCCCC1	2063635597	LQDDYTXACPXOGZ-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CCCC1(CNC(C)(C)C)CC2(C1)CC21CCC1	2064005239	LYVGLDAFEOPSEJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)c1ccc(C)cc1	2065990773	QVCKSBGFDWMWBU-NVXWUHKLSA-N	247.426	4.860	0	10	BJAE	
CCCN[C@H](C[C@@]12CCC[C@@H]1C2)C1(CCC)CC1	2070971657	OFCFCMHLEBEWGA-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CCCC1)C1(C(C)(C)C)CCC1	2071933209	NIPINMIDOVMHNL-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(CC2(N)[C@H]3CCC[C@H]2CC3)CCC1	2071944119	UDZWZFCLSODFPJ-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCCNC[C@H]2C)CC1	2072812058	JCVUGEGJGZIJLD-BZUAXINKSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](COc2ccc(C)c(C)c2)CC1	2072878056	LLGNICPNMXRMEF-WKILWMFISA-N	246.394	4.899	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2C[C@H]3CCCC[C@@H]3C2=O)CC1	2072879373	TZVQOFOESMOBQX-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H]2CCN[C@H](C3CCC3)C2)CCCCC1	2073771666	IVFPFPHEPYTCEW-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H]2CCCC23CCC3)CC1	2074633838	IXDYYMUTYPTHHK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](CC)N(C)Cc1cccc(C)c1	2074786702	KBDBUGBNLJLNLZ-KRWDZBQOSA-N	247.426	4.786	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCCC2)CCCC[C@H]1C	2075372778	JPIVCJZPWSGRLA-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCC1(NC[C@@H]2C[C@@H]2C2CCCC2)CCCCC1	2079649795	GUTIJEOFHSKOOB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1[C@H](N)C[C@H]1CCC=CCCC1	2079987914	YBLWZEDLQKXHJL-ZJIFWQFVSA-N	249.442	4.523	0	10	BJAE	
CCCCN(C[C@@H]1C[C@@H]1C(C)C)c1ccccc1	2080094226	OYJJCOGUYJZWIA-DOTOQJQBSA-N	245.410	4.585	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCC[C@@H](C)CC1	2081947111	ORWPWBJGJYGDJJ-DOMZBBRYSA-N	249.373	4.769	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](CC)[C@@H]1CC1(C)C	2081947955	YCQJAEIYJMCUIJ-UONOGXRCSA-N	249.373	4.625	0	10	BJAE	
CCN[C@H](CC)c1ccc([C@H]2C[C@H]2C(C)C)cc1	2082715487	QBGRSIGTNHSREE-GVDBMIGSSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCC3(CCC3)NC2)C1	2082975096	FNIGSORVAAJLOH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@@H](F)C1CCC1	2083780014	HXQYCJHWHKOHDP-CQSZACIVSA-N	249.373	4.534	0	10	BJAE	
Cc1cc(N)ccc1-c1cc(C)c(Cl)c(C)c1	2212872515	RJVAPRGAHSNESD-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC[C@@H]1CC[C@@](O)(CCCCCCC2CC2)C1	2213581008	RLCCRNMVVXIVSL-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(O)CCCCC1CC1	2214563553	QYHLSDQXMFPURK-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)(C)C1)C(C)(C)C	2215398813	PNFRXAUPNSFIHY-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@@H](C(C)(C)C)C1)C(C)(C)C	2216257875	NMPIDWIDTMIICS-MJBXVCDLSA-N	239.447	4.616	0	10	BJAE	
C[C@H](C1CC1)[C@H](N)CCCCCCCC1CC1	2216877171	JCNAJLXDJWBRRZ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)[C@H]1CC=CCC1	2218322205	JYHIJWGDLTTZCQ-JJXSEGSLSA-N	246.394	4.518	0	10	BJAE	
NCC1CC2(C1)CC(CCCCCCC1CC1)C2	2218719549	ZSKFNZTYGWBGLN-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
C1=C[C@@H](CNCCCCCCC2CC2)CCCC1	2218729256	YHNCHJCNEPIGLD-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC=Cc1ccccc1	2219082833	PNDFBQGYTBOJSP-RDJZCZTQSA-N	245.410	4.634	0	10	BJAE	
C1CCC(CCCCC2CC2)(CNC2CC2)CC1	2220048199	ZGVHNQQHIOQGPY-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCc1ccc(NCC2(C)CC3(CCC3)C2)cc1	2221025586	MYRFDVIDJPHFNW-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
CC1(C)CCC(=CC2(C)CC(C)(C)C2)[C@H](CN)C1	2221025843	PLZHPJVJNWPZKG-AWEZNQCLSA-N	249.442	4.524	0	10	BJAE	
Cc1ccc(C)c(C(=O)CC2(C)CC(C)(C)C2)c1	2221075279	DJPTYADKPFAIKQ-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@]2(C)CC=C(C)CC2)C1	2221642920	KPOWMCLLYGEDHH-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](CN[C@H]2CCC[C@@H](C(C)C)C2)CC1	2221667403	LBDAQGASOQRTGS-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](CNC2CC2)([C@H](C)CC(C)C)CC1	2221668621	PXDJSHUJEHOECO-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
C[C@@]1(C2CC2)CCCN1CCCCCCC1CC1	2222773759	KJBRGJYFBLBNMD-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CC[C@@H]2CC[C@@H]21	2223153680	CVRPNHBLBHPCHX-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CC[C@@H](C)C2)CC=CCC1	2223591960	DQWCLAOOSBLMAB-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)[C@H](C)c2ccccc2)C1	2224177798	YKFSDDXWXUDZKX-ZNMIVQPWSA-N	244.378	4.576	0	10	BJAE	
CCCC(O)(CCC)CCCC[C@H]1C[C@H]1C	2243038215	CPXXPADHMYGPBR-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CC1CC(C)(C[C@](C)(O)C2(C)CCCCC2)C1	2246454868	SDMQSKNLANPZMP-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCCN(CC[C@H]1CCC[C@H](C)C1)C(C)(C)C	2246661077	VUDJUINHTICBFG-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@]2(C)C=CCC2)C1	2246672481	ZPUKSPXCPFXYIP-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
CCC1(C[C@H](N)c2csc(C3CC3)c2)CCC1	2248054381	HMGOIYKPBJLMMK-ZDUSSCGKSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](C)[C@H](CCCCC[C@@H]1C[C@@H]1C)NC	2248822896	UHBRHYZJNRNHSG-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1C[C@@H](C)C[C@H](C)C1	2250361640	OQCROGASUVFTSN-YDHLFZDLSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC[C@H](O)C1	2250482538	VGHSZPMYPSOYQV-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)[C@@H](N)CC[C@H](C)CCCC(C)C	2250523990	NESQPDGLXKIJJA-PMPSAXMXSA-N	241.463	4.993	0	10	BJAE	
C=C=CC[C@H](CC[C@H](C)CCCC(C)C)NC	2250531047	WNZHLCRSXXPTON-HZPDHXFCSA-N	237.431	4.548	0	10	BJAE	
Cc1scc(C(=O)C[C@]23CCC[C@H]2CC3)c1C	2251194462	JHHNOEPIUYBLLF-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
C/C=C/CCCC(=O)C1CC(CC(C)(C)C)C1	2251541367	LIOJCXMXRAIYAP-AATRIKPKSA-N	236.399	4.764	0	10	BJAE	
CC(C)CCC[C@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251708498	RDTIJMCXTPOLGE-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
Fc1ccc(-c2ncc(C3CCCC3)s2)cc1	2252704561	CMUMQRRBJYOACH-UHFFFAOYSA-N	247.338	4.607	0	10	BJAE	
CC1CC(C)(CC(=O)c2ccccc2C2CC2)C1	2253677558	BSVFUUUAJWPSMZ-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C[C@H]1CCCCC12CC2	2253782839	PNDHQXMUCSLVLQ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCC1CCC1)C[C@H]1CCCCC12CC2	2253795811	UKKRMJNBAQINQU-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1CC2(CCCC2)C1	2254112373	FBCCSTDISGAKEX-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CCC1CCC(C(=O)C2CC3(CC(C)C3)C2)CC1	2254468913	DSKSLXUIWFJEEY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2254569117	NNWSSGHTMLSSKV-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@H]1CCC12CCC2	2254956321	AFKRCJOGELIBFF-LSDHHAIUSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H]1CCCNC12CCCCC2	2254967077	DKQTWFJTHKVPST-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H]1CCC[C@@H]1C(C)C	2255054375	UEWOASOTQYOXNV-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NCC1(CC2=CCCCC2)CC=CC1	2255092641	ASENQGLWFZPTQE-UHFFFAOYSA-N	247.426	4.601	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cccc2ccccc12	2259444723	QQSQIRIBPOCNHS-CXAGYDPISA-N	241.378	4.666	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)c1ccc2occc2c1	2259450865	AZOBCZRWIMZUPG-BLLLJJGKSA-N	245.366	4.520	0	10	BJAE	
CC1CC(CCC(=O)CC2[C@@H]3CCCCC[C@@H]23)C1	2261512793	JVMYMGCGMJKMBD-BCAXMMLOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@H](C)CC2CC2)cc1	2298908637	QZDMSLDOPQGDAA-QWHCGFSZSA-N	232.367	4.768	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@H]1CCCC1(C)C	2300684921	ZBPLOTKRCICNED-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)c1c(C)oc(C)c1C	2300698081	WOKSSOMQIQFWJV-UHFFFAOYSA-N	236.355	4.604	0	10	BJAE	
CCCC[C@H](C)Nc1cc(F)ccc1C(F)F	2300826215	KKZPVIFVLWCPAG-VIFPVBQESA-N	245.288	4.754	0	10	BJAE	
CC(=CC[C@]1(C)CC[C@H](O)C1)CCCC(C)C	2300865338	MFPVYAHJGUOHMN-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC1CCCCCC1	2301136006	RQAUIOZDGMMQPM-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CC[C@@H](O)[C@H](CC2CCCCCC2)C1	2301238836	KLCAVWYACUXJEI-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](N)C1(C)CCCCCC1	2301863318	CCFPYUYSMSKGIM-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@@H](C)[C@@H](C)C(C)C	2301973061	XXMNHFLDJBLHEK-HOTGVXAUSA-N	241.463	4.671	0	10	BJAE	
N[C@@H](CCCCC1CC1)c1sccc1C1CC1	2302578157	WXYJPNPVFAXHHB-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CCCC1(CC(=O)CCC[C@@H]2C[C@@H]2C)CCC1	2302607851	CWZQQWLWPMXOOE-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](CCC2(C)CCCCC2)N[C@@H]1C	2302685815	SESZINZVXXLTPV-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1CC[C@@H]1C(C)(C)C	2303450144	PVLYTLLOOUXQBE-IHRRRGAJSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC)CCC(C)=C(C)C1	2303472679	TYIUWHMZJPQJTK-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H](C)c2ccsc2)CC1	2303474095	ZNFHPAXSXGRQCZ-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309142096	ZYBLRVSKBQZYSJ-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CCC[C@@H]3CCCC[C@@H]32)C1	2311206644	FILXRPZSONQAKQ-NXOAAHMSSA-N	249.442	4.610	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](NCC)C1=CC[C@@H](CC)CC1	2311513152	SUXNAELUZAKYLI-DZUCGIPZSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN[C@H]1CC[C@@H]2CC[C@@H]21)CCCC(C)C	2316493511	YJEBPAAEADHVDB-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
COc1cccc2c1ccn2[C@H](C)[C@@H](C)C(C)C	2317827932	ORGLIFCRCUUTPQ-QWHCGFSZSA-N	245.366	4.503	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H](C)CC1CC1	2317962058	JIPWSMCDESWTJE-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@H]1C)C1=CCCCCCC1	2318935750	JECKNJDPFSBRHI-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2318937853	DNMCQVKHQSFIRY-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)CC1(C)CC2(CCC2)C1	2318938045	GIPIXSUTWYSLNN-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@](N)(CC2(C)CC3(CCC3)C2)CC1	2320269344	ZIPPXUHTBNRSAG-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C(C2CC2)C2CC2)CC1	2320417211	SAGNAOYXNMCODU-CYBMUJFWSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1cccc([C@H](O)CCCC2(C)CC2)c1	2320586344	PNVBURZRESFMLC-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CC[C@@](N)(C1CCCCC1)[C@H](CC1CC1)C1CC1	2320776283	OAIDTRVYUYSAIC-IAGOWNOFSA-N	249.442	4.501	0	10	BJAE	
CCCCN(C1CCCC1)[C@H](CC1CC1)C1CC1	2320776934	STSQWWRTRNIAPK-QGZVFWFLSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)C1	2321624447	GYLVQZGVERXPGV-HLPPOEQASA-N	248.410	4.598	0	10	BJAE	
CCC1CC([C@H](N)c2cc(C)ccc2C(C)C)C1	2327794284	HSDNQKQJZXIHNF-KVULBXGLSA-N	245.410	4.554	0	10	BJAE	
CCCCCCc1ccc([C@@H](N)CCCC)cc1	2327898927	KTPIVNIUMBBPEJ-KRWDZBQOSA-N	247.426	4.999	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1C2(CCC2)C12CCC2	2328290310	DEAKCPDFGNDISX-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)[C@H](C)N[C@@H]1CCCC[C@@H]1C(C)(C)C	36920848	DACHQBPENIDFSJ-CBBWQLFWSA-N	239.447	4.616	0	10	BJAE	
CC(=O)c1ccc(-c2cccc(C(C)C)c2)s1	36927397	YSELSIRUAZXZPE-UHFFFAOYSA-N	244.359	4.741	0	10	BJAE	
CCCC(CCC)Nc1ccccc1OC(C)C	37126151	KGXOXFNLDBRMNQ-UHFFFAOYSA-N	249.398	4.855	0	10	BJAE	
Cc1c(-c2ccccc2C=O)ccc2ccccc12	59044975	FRJCNHIUPFSXQT-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
Cc1ccc(C(=O)CCC(C)C)c2ccccc12	79904065	KGTZUUYCQKIBHJ-UHFFFAOYSA-N	240.346	4.767	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@@H](C3CC3)C2)ccc1F	81638849	QZCSDOZPQQJKIX-KGLIPLIRSA-N	247.357	4.515	0	10	BJAE	
CC(C)(C)c1ccc(OCc2ccsc2)cc1	85151324	FMBRNVGLQINPBN-UHFFFAOYSA-N	246.375	4.625	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1Cc2ccccc21	86487001	LCNYEJUTYBCAOY-CJNGLKHVSA-N	244.378	4.502	0	10	BJAE	
CCCCC[C@H](N)c1ccc(C(C)(C)CC)cc1	90482783	VAIXBTKJZPHPST-INIZCTEOSA-N	247.426	4.954	0	10	BJAE	
CCN[C@H](C)C1CCCCCCCCCCC1	91353798	RUUVVAHSACUDET-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C1CCC(CC)CC1	92116883	BQCPXFNXYXIOCL-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1CCCC[C@@H]1C	94984779	UPMJMJRQJSUHQH-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
Clc1ccc2c(-c3ccccc3)ccnc2c1	114524870	AIFFNEMIXVBMSM-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NC[C@H](C)C2CC2)cc1	124948994	LFKCJKPQBCGFNC-UONOGXRCSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H](C)CNc1cc(Cl)c(C)cc1Cl	132048143	AKHLJJSIPLQPSB-MRVPVSSYSA-N	246.181	4.760	0	10	BJAE	
O[C@H](CC1CCCC1)c1cccc(C2CCC2)c1	160197005	LUUYZZJVSBDDOG-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1CCCCC1)NC	161016022	NLZZTUWVDRTCNK-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](CC1=CCCCC1)NCC	161330779	WNPGZESEMQAQFJ-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H]1CCCCC1(C)C	226819024	NTTFTZPKXCIJKC-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H]1CCC[C@@H]1C	226880000	QJURHLNIOGIZFU-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1CC[C@@H](CC)C1	227463974	NKNLHLORYXGWOE-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)c1ccc(NCc2occc2C)cc1	229473569	FZNNSQNRWKZSGG-GFCCVEGCSA-N	243.350	4.714	0	10	BJAE	
CCCC1CCC([C@H](NC)[C@H](C)CCC)CC1	232901192	LZWZRDQHBBIHGM-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NCC(C)(C)CC)c1ccccc1	233357197	RNXONQVZKNPMEF-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CN[C@H](c1ccccc1)[C@@H](C)CCC1CCCC1	302247619	JHEJMGAKDACLQP-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@H](C)C(=O)[C@@H]1CCCc2ccccc21	302420356	QWCFMIUUFZOAMR-XJKSGUPXSA-N	244.378	4.502	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@H](C)CC(C)C	305905625	COVOHSQNTZBXON-ZDUSSCGKSA-N	229.367	4.632	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1ccccc1C1CCC1	306066948	YYCPHHGJDCSHQX-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
Fc1c(C(F)F)ccc2sc(Cl)cc12	306921849	SDYODAGDGIUBSR-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
Fc1cc2c(Cl)csc2cc1C(F)F	307043103	DBDYAJMSEZYQJS-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1c(Cl)ccc2c(S)csc12	307174014	SKPXCJNIGJPWPP-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CC(CC)CC	308032874	PXPSUSXDJVPXRZ-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H](CC)CC(C)C	308092212	IOTQMGBCDIXVEK-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)c1csc(-c2cccc(F)c2)n1	310403461	NRMWRMSJTFOKGA-UHFFFAOYSA-N	249.354	4.637	0	10	BJAE	
C[C@@H](C[C@H]1CCC[C@@H](C)C1)[C@H](O)c1ccccc1	310728281	CVCOEZSUJSJFFL-AESZEHBQSA-N	246.394	4.573	0	10	BJAE	
CCC(CC)[C@H](N[C@H]1CC[C@@H]1C)c1ccccc1	310947951	QDMWHSHVJQEVSO-JQFCIGGWSA-N	245.410	4.552	0	10	BJAE	
CC(C)(C)NCC1(CC2CC2)CCCCCC1	317980039	QABIPNZMASCHJG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CNCC1([C@H]2C=CCCC2)CCCCC1	318159435	RSHYJFWODLSRSW-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CCCC(=O)CCCC/C=C\c1ccccc1	324148837	OCVKSWFLWHMLDX-WDZFZDKYSA-N	230.351	4.629	0	10	BJAE	
CC[C@@H](NC1CCC2(CCCC2)CC1)C1CCC1	324989846	WAXLZCSOSJWXKN-MRXNPFEDSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H](C)C2CCC2)cc1	382157681	IRXKLFFRJGGLAD-STQMWFEESA-N	231.383	4.801	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCCC1(C)C	383182211	NCMMMSIAUKLPLG-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCCNC1CCCCCCC1	383311533	VXRZOLINDKDJKI-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1CCCCCC(C)C	383397764	QTNOMGINNUMCKP-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C[C@]2(O)CCC[C@H](C)CC2)CC1	383938540	UQVSKTKQUAUCHI-LBDPXKHJSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)CCC1=CCCCC1)C(C)(C)C	385859566	ZHAKCPYIBZSCGY-ZDUSSCGKSA-N	236.399	4.908	0	10	BJAE	
CCCCCNc1cccc2ccsc12	386219737	JNCBDVJQYJUXGS-UHFFFAOYSA-N	219.353	4.503	0	10	BJAE	
CCCN[C@H](c1cc(C)cs1)[C@H](C)CCC	393929788	MAJMXIPDOBZGRW-OCCSQVGLSA-N	239.428	4.533	0	10	BJAE	
CCc1csc2cc(C(F)F)cc(F)c12	396205897	AUGQTOSDSZOVTH-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
Cc1cc(S)cc2cc(C(F)(F)F)sc12	396306717	PYLUVPVCWPILEM-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
O[C@@H](CCC1CCC1)c1cccc2ccsc12	398810175	WIZVJAFRYXPIIY-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CCNCC1(CC2=CCCC2)CCC(CC)CC1	401046366	BEORVJMQJBSBJW-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2CC=CCC2)CC1	402351890	MTFDTSJZIDRGOS-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC[C@@]1(CCC(C)(C)C2CC2)CCCCCN1	406065633	OKETUYNLFUTQGD-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)[C@@H]2CC2(C)C)c1	689517108	IXHJYVCPSNXFPV-WFASDCNBSA-N	245.410	4.658	0	10	BJAE	
CC1(C)CCCC[C@@H]1Nc1cccc(C2CC2)c1	690075951	MBRTZFLHDJFEJS-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCCCC[C@H]2C)c1	691078454	IZFSBOSPXVAZHK-TZMCWYRMSA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCCCCC(C)C	691099954	LFFIQHNNTSDZHL-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC1(CN[C@@H]2CCC23CCCC3)CCCCCC1	693893562	BFMGYCIOVZIUBT-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](CCC)C(C)(C)C	695063266	TXXAHDGSWGZGCZ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](c1ccc(CC)cc1)C(C)(CC)CC	701130467	HJXBUXCWDOCRBX-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C(C)(CC)CC	701165404	GMNCCZXTJGVFED-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
N[C@@]1(CCC2CCCCC2)CCCC[C@H]1C1CC1	704472663	ICTLLNSQFHMWER-DLBZAZTESA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@]1(C)CC1(C)C	705263420	CUPDCXKFZSSQSY-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@](N)(CCCC(C)(C)C)c2ccccc21	707763138	RYEQBXJGQOTVCC-DYVFJYSZSA-N	245.410	4.564	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(N)CCC(C)(C)C	709171974	ZKFWCDNWABAXPT-CZUORRHYSA-N	241.463	4.993	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)CC2CCC2)cc1C	710193888	FJWVPRVQZIKKOY-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@H](CC)CC(C)C	713173066	CXBOSCWUNVVIEE-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)(C)C)CC(C)(C)C(C)C	713210482	FBAJRKSWRFGANL-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC(C)(C)C(C)C	713355691	NPJDIZMWSFQXQE-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
C=C/C=C/CCc1cc(C(C)(C)CC)ccc1O	713680822	CKGOZXNCUFNNCC-BQYQJAHWSA-N	244.378	4.755	0	10	BJAE	
C=C/C=C\CCNCC1CC(C)(C)CC(C)(C)C1	713736120	TVEVXHFMNIDCQW-FPLPWBNLSA-N	249.442	4.561	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)C1CCCCCC1	713744047	ICXCCSKBKOFVFV-RTRPANQVSA-N	249.442	4.847	0	10	BJAE	
C=C/C=C/CCc1ccc(C(C)(C)C)cc1	713752234	KOAVNCRXSSYXBH-VOTSOKGWSA-N	214.352	4.659	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)C1C(C)(C)C1(C)C	713765037	UVQZJZRCHHYBLE-HBWSCVEGSA-N	249.442	4.559	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C(C)(C)CC	718541015	SESISLCAJNATFZ-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CC(C)=CCCc1cc(C(C)(C)C)cc(C)c1O	718629684	UPPZARNYMBUZPU-UHFFFAOYSA-N	246.394	4.897	0	10	BJAE	
CC(C)=C(C)CCCc1c(C)cccc1C	718777329	OERBRRDFRYNXKA-UHFFFAOYSA-N	216.368	4.982	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCC[C@@H]1CC=CCC1	719188471	JEAHPBFOSAMTAV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@H](O)c1cscc1C(F)F	720224885	AGQQPUWPHNWWNP-NSHDSACASA-N	248.338	4.545	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H]1CCNC12CCCCC2	721087034	LLWRHDTXGSVNKK-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CCC(C(=O)C[C@@H]2CC23CC3)CC1	722829468	ITWBGXHRWWBBTF-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1CCCC2(CC2)C1	723598779	DORFKFVQIWJROX-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1c(C)csc1C	724979794	QSXHUJONUYQAHH-CYBMUJFWSA-N	239.428	4.594	0	10	BJAE	
CC1(C)C=C(c2ccc(Cl)s2)CCC1	725349931	KKJNJCIYUYINNA-UHFFFAOYSA-N	226.772	4.995	0	10	BJAE	
Cc1ccc(CSCC2CCCC2)cc1F	1459287110	CRLUGYCAAPYETF-UHFFFAOYSA-N	238.371	4.558	0	10	BJAE	
C1CCC2(CC1)CCCC[C@@H]2NCC1CCCC1	1875418758	JIUYMJOLWIWKEB-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC(C)CCCCCC[C@@]1(C)CCCCN1	1902129565	VYCBWEJCFBMGGT-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
C=C=CCCc1ccc(Cl)cc1C(F)(F)F	1902502603	CXAMEHJLYAZGNN-UHFFFAOYSA-N	246.659	4.633	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C[C@H](C)C(C)(C)C	1905446126	SYIZWOKPSVFFRC-IHRRRGAJSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@H](CC[C@@]12CCC[C@@H]1C2)NCCC	1908421474	SSSYMGZVNOTBDN-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@@H]1C[C@H]1CCC	1910699724	HZSXQKFWAUKVTH-XHSDSOJGSA-N	239.447	4.571	0	10	BJAE	
CC=CC[C@H](C)c1ccc(C(C)C)cc1	1911888273	VYMSLROOPDSOKH-ZDUSSCGKSA-N	202.341	4.880	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1CC2(CCCC2)C1	1912604013	IOWBNZKFSQHFLA-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC[C@H](C)C1(O)CC2(CCCCC2)C1	1912720729	LSHSOKUBKMGKHA-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCCCCCCC[C@@H]1N	1913431114	RZKWHIWNCOOYGO-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CCCC=CCNc1ccc2ccccc2c1	1914676708	DCDHUSIZDPYOBV-UHFFFAOYSA-N	225.335	4.608	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC2CC2)CCCC12CCC2	1921614904	JBHRWGNAKYXZSX-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)C1CC(CC)C1	1925772222	HKPZAWZEOGMBTD-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CC(=C(F)F)c1ccc(C(C)(C)C)cc1	1927564181	FBMFZLNIOBGTTR-UHFFFAOYSA-N	210.267	4.612	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CCC1(C)CC1	1935876151	KZCSQNXMBWDTHD-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
Cc1c(N)cccc1SCC1(C)CCCCC1	1940407268	GVJQRTVOWHLXRZ-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)C[C@@H](C)CC(C)(C)C	1941245156	FHPATACEOFNVJN-KFWWJZLASA-N	242.447	4.882	0	10	BJAE	
CCCN[C@@H]([C@@H](CC(C)C)C(C)C)C(C)(C)C	1941266494	GIMHBCNSBXFYBF-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CC(C)(C)CC[C@@H]1C	1941355013	IVKVRCYIVJGGFX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2CCC=CCC2)C1	1941792886	KKERIKFLZQIARZ-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@@]12CCCC[C@@H]1CCC2	1944156590	QTVXRXFCNUSFIS-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]([C@H](C)CCC(C)C)C(C)(C)C(C)C	1944668308	MCCGENYUTWOKAT-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CC1CCC(C(C)(C)C)CC1	1946668625	PYVPHPBQEDENBH-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC)C1CCCCCCCCC1	1947878427	ICOPIYSFQPAKHE-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(O)CCCCC12CCC2	1947913536	JQLMQBSETWYTED-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)N[C@@H]1CCCC(C)(C)C1	1948326111	JVPWGYAVGIOSDZ-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)NC[C@@H](C)CC(C)(C)C	1948333585	SVSARHODRGVYOS-KKUMJFAQSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CC1(CC)CCC1	1948979498	PDRBJTFBADSYSO-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)C[C@H](C)CCC1=C(C)C	1949010374	BWDVPLXPHHXNOP-CJNGLKHVSA-N	237.431	4.667	0	10	BJAE	
CC(C)C1([C@H](N)C[C@H](C)CC(C)(C)C)CCC1	1949017693	KNLGTEWQTHLEAC-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCC(C)(C)[C@@H](NCC)C1	1949658221	AIFHAGNVYUBDQA-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCCC(C)(C)C)CC1CCCC1	1949865030	UURJQZIYIOKYHB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCNC[C@@]1(CCC(C)C)CCC[C@H](C)CC1	1950929158	FCGMFRVKIQTCSR-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CCC2CCCC2)CC1	1950931338	WDXFBUDRPGSIHX-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC=C[C@H](C)Cc1cc(C)ccc1OCCC	1951308320	DVZZJJOSRCOSQW-ZDUSSCGKSA-N	232.367	4.539	0	10	BJAE	
CCCCCC[C@@H](NC)c1cc(Cl)cs1	1958192655	MFFNVXSEODANTI-LLVKDONJSA-N	245.819	4.632	0	10	BJAE	
CC(C)C1CC(Nc2ccc(C3(C)CC3)cc2)C1	1967850598	VWGAPWLNCGAFHJ-UHFFFAOYSA-N	243.394	4.585	0	10	BJAE	
CCc1cccc(N[C@H](C)CCCC(C)C)c1	1968331115	AIOLQJKSHCKPIB-CQSZACIVSA-N	233.399	4.876	0	10	BJAE	
CCc1cccc(OC[C@H]2CCCC(C)(C)C2)c1	1968359362	ZTEHMTHQOLIQJK-HNNXBMFYSA-N	246.394	4.844	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H](C)C(C)C)cc1	1968369154	SARFDIQXCFPGPQ-UONOGXRCSA-N	234.383	4.871	0	10	BJAE	
CCC1(CC)CC(Nc2cccc(F)c2C)C1	1968648124	LMMYLLWXLJDVEH-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCC(CC)N(C)Cc1ccccc1C(C)(C)C	1968782052	FEKLLNGVJWZUKC-UHFFFAOYSA-N	247.426	4.605	0	10	BJAE	
CC1(C)CC2(CC(N[C@@H]3CCCCC3(C)C)C2)C1	1969954658	OQVJXNSIGZVMHU-CQSZACIVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](NC1CC2(C1)CC(C)(C)C2)C1CCCC1	1970934840	SWKRJGJHQITPGF-OAHLLOKOSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(CN[C@H]2CCCCC23CC3)CC1	1972742829	IWAJUAUBFQYRBW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NCC(C)(C)CCC)c1ccccc1	1973163590	GWQVGPZXTPUKDJ-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
C1=C[C@@H](CC2CC(C3CCC3)C2)CCC1	1974912689	ZBYZGYMJGJSUFA-DNOWBOINSA-N	204.357	4.559	0	10	BJAE	
CCCC[C@](C)(CNCCC)CC(C)(C)C	1978647956	NIMPXQNDJCSWGO-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCC[C@H](C)[C@@H](O)C1(C)CCCCCCC1	1981415218	BFEAREZPVFTGKE-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
C/C=C/CCCC(=O)c1ccc(C)c(Cl)c1	1984588923	JFISGRHYUUHWLR-ONEGZZNKSA-N	236.742	4.578	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCC[C@@H](C)CC1	1984591228	MIMJWGHUJRZDEH-LSMGEYOZSA-N	222.372	4.518	0	10	BJAE	
CCCC1(C[C@H](O)CCCC(C)C)CCC1	1988464865	USHRKBBWICYKOK-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC(C)=C(F)Cn1ccc2ccc(Cl)cc21	1989653684	NVCBMNLSERBSSO-UHFFFAOYSA-N	237.705	4.558	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H](C)CC(C)C	1990092115	VLJOSFVFIUWGHB-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@H](C)CCC	1995254373	RAXVMXMZDBKJJU-KKUMJFAQSA-N	228.420	4.780	0	10	BJAE	
CCCCCc1ccc(NCC=C(C)C)cc1	1997766728	ORYMBBMIPCWGPT-UHFFFAOYSA-N	231.383	4.797	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H]2CCC=CCCC2)s1	1999979970	WZFXMYWHXOIUSN-UONOGXRCSA-N	249.423	4.583	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](O)C2(C)CCCCC2)C1	2000040394	DFWNUDNAYZBXQV-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)[C@@H]2CCCC(C)(C)C2)C1	2000100050	SJWAKAVRDLXPRK-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2CCC[C@@H](C)C2)CCC1	2000196359	HNOVCXMPZQFYSJ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](C)(CNCCC)C[C@H]1CC1(C)C	2000511338	CLMRNUKCKRVCIV-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@H]1CC1(C)C	2000511341	CLMRNUKCKRVCIV-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(O)CC2(CCCCCC2)C1	2000672459	JAJQGSUSXYWZGJ-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@@H]1CCCC[C@@H]1C	2000906037	GNCYEUKWJZPQKN-GOEBONIOSA-N	239.447	4.712	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1[C@H]2CCCC[C@H]21	2002221484	JWXPQOSQOJOQGE-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCCC(=O)C[C@H](C(F)F)C(C)(C)C	2002437625	PZCUBEPVFJPXAL-GFCCVEGCSA-N	246.341	4.619	0	10	BJAE	
CCCCCC[C@](C)(O)C1[C@H]2CCCCC[C@H]12	2002756927	BZKUXIRVTGADSP-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CC[C@@H]1CCC(C)(C)CC	2002877693	VJTVFLXRCYAJDB-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@@H](C)C1CCCCC1	2002934172	CCNOMHITHJOMEI-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CC1(C[C@H]2CCCCCCC[C@H]2N)CCCC1	2003116933	LZMBSUDUSKBHKI-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@H]1CCC2(CC2)C1	2003271858	AEOICJWCQUIQJK-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@]1(C)C=CCCC1	2003326657	OHDJZJXYPJOSQW-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
CCC[C@@]1(CNC(C)C)CCCCC12CCC2	2005565778	JBQIDSVIGRQJBO-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC[C@@H]2F)c1	2006676281	GOZKYSVVFBGQQR-LSDHHAIUSA-N	235.346	4.503	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](NCCC)C(F)F	2008313370	FSJUDFAWXXKLPZ-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
O=C1CCCCCCCC[C@H]1CC1(F)CCC1	2008506592	KMGAONQRBNODTA-ZDUSSCGKSA-N	240.362	4.588	0	10	BJAE	
Cc1c([C@@H](N)[C@H](C)C(C)C)sc2ccccc12	2014292017	JPVUUHYAKYILGR-YGRLFVJLSA-N	247.407	4.502	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1ccc2sccc2c1	2015385866	ITEASLHQXHGHAO-LLVKDONJSA-N	246.375	4.766	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CC12CCC2)CC(C)(C)C	2015517441	DHNLLAFQXBWHMJ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC[C@H](C)CC2)CCC1	2015643050	XUIQEJYFZSQSPU-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](CNc1cccc(C(F)F)c1)C(C)C	2016109177	LBHKVYZNPXULRC-NSHDSACASA-N	241.325	4.718	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CCC[C@@H]1CC1(C)C	2016119663	MNWSQXYNTQGCLT-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CC[C@](O)(CC1(C(C)(C)C)CCC1)C(C)(C)C	2017114846	QNDHPXDIIPNGHD-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC[C@@](N)(CC1(C(C)(C)C)CCC1)C(C)(C)C	2017139397	VAPZKHLJUKULIH-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CC(C)C1(C[C@@H](N)C2(C)CCCCC2)CCC1	2017142321	HAOXOTAGMWJPII-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@]2(O)CC[C@@H]2CC)CC1	2017655714	FULPZXMYOKDBHU-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H]1C[C@@H]2CC[C@@H]2C1	2018133545	FSMRMCYNUOFTSL-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)[C@@H](C)c1ccccc1	2019109569	DLBYCQSNNHVDAR-KBPBESRZSA-N	233.399	4.504	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2019125754	DRCWGGAYRGTDOW-IJEWVQPXSA-N	239.447	4.569	0	10	BJAE	
CCCC1CC(CN(C)[C@H](C)CCC(C)C)C1	2019409274	OPPQBPGALGSJKN-QQFBHYJXSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](CNc1ccccc1C1CC1)C(C)C	2021026462	UKWRXKYEZWHRIH-ZDUSSCGKSA-N	231.383	4.658	0	10	BJAE	
CC(F)(F)CCCCC(=O)[C@H]1CCCC1(C)C	2023346202	PUKHKXUHJTZKCI-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
Cc1ccc([C@@H](N)CCC[C@H]2CC2(C)C)cc1C	2027830925	FGEGFKXDBWDSHE-HOTGVXAUSA-N	245.410	4.520	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CCC[C@H]2CC2(C)C)c1	2027842400	IHKWGJULUQJBGJ-JKSUJKDBSA-N	246.394	4.553	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NC)c1cc(C)cc(C)c1	2028251013	CDLCBCLYZUFDBY-DLBZAZTESA-N	247.426	4.636	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1cccc(C2CC2)c1	2028551156	CJFIUYHZDXHVMA-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CC(C)(CC(=O)c1ccccc1C1CC1)C1CC1	2028564852	GVRBFGSGTXZDNT-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)([C@@H]2[C@H]3CCCC[C@H]32)CC1	2033522561	IGXVGTMYERKBRG-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCC2(CCCC2)C1)C1CC1	2034372289	VNEPTPXENXBNPS-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCCc1ccccc1[C@@](C)(O)[C@@H](C)CC(C)C	2036383685	PFLWOVTTZHDCSD-YOEHRIQHSA-N	248.410	4.529	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H]2CC=CCC2)CC1	2037165431	DXEBRELUWMSQCK-IXDOHACOSA-N	249.442	4.811	0	10	BJAE	
CC1(C)C[C@@H]1CCCC1(N)CCC2(CCC2)CC1	2037176649	UXRUJJLEYAKXGT-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(CC)[C@](C)(N)c1ccc(C(C)C)cc1	2037216532	KACRNSIXDZOJDE-QGZVFWFLSA-N	247.426	4.810	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@H]1CCC(C)(C)C1	2037705648	VQKVSJYIYSPEGJ-ZQIUZPCESA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)C1=CCCCC1	2037983129	VGWPQZVFROLOAB-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2C[C@H]3CCC[C@@H]3C2)CC1	2038554175	VBZHIASGPOZZRX-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H]1CC12CCCCC2	2039011861	LEWYIJIFHWLGNA-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(C)c1NC[C@@H]1CC12CCCC2	2039092081	NAGRMUAIZAYJGX-HNNXBMFYSA-N	243.394	4.550	0	10	BJAE	
CCCCc1ccc(C(=O)C2(CC)CCC2)cc1	2039733859	HILIXGSVVHDYGY-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCC[C@@H]1C[C@H]1N[C@H]1CCCC2(CCCCC2)C1	2040763614	RSCKENMMMLEZMP-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2CC3(CC3)C2)CC1	2041375619	JFHGGPOIEMOVBK-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CC2CC3(CC3)C2)CC1	2041379761	NHLGIHKVDCTPSR-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C2CC3(CCC3)C2)CC1	2041385845	FZHNTIBJZPXUOB-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](Nc2ccc(C)cn2)CC1	2041497392	BJEVKFODIUXXDC-HUUCEWRRSA-N	246.398	4.551	0	10	BJAE	
CCCN[C@@H]([C@@H]1CCC(C)(C)C1)C1(C)CC=CC1	2042023856	GDDNXXVAMZJFMP-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(C[C@@]2(N)CCC3(CCC3)C2)C1	2043615326	MCWKICDPCIMTON-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CCC=CCCC2)CC1=O	2045309744	JHYJGFVALVLCIK-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
NC1(CCC2CCC2)CCC2(CCCCC2)CC1	2045671317	LWNCKBFTQXEDBM-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C1CCCC1	2047438267	RMSREHKIWDCUTR-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCCNC2[C@H]3CCCCC[C@H]23)CC1	2048386897	KLLDBECODKOIKW-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(CC(=O)CC2[C@H]3CCCCC[C@H]23)C1	2048470867	XNRHXLBOFQABQN-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1	2048623312	GDQNPXPCDJVJDT-XTZTZFPZSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCCC3(CC3)C2)cc1	2049950575	ILGYZWWLUIMLDJ-AWEZNQCLSA-N	242.362	4.538	0	10	BJAE	
CN(C[C@]1(C)C=CCCC1)[C@H]1CCCC(C)(C)C1	2049957181	ADFCJFRBAYOOJH-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
C[C@@]1(C(=O)[C@H]2CCC3(CCCC3)C2)C=CCCC1	2050007848	GFLMAGMBDFLSJF-GOEBONIOSA-N	246.394	4.662	0	10	BJAE	
Cc1ccccc1[C@H](O)CCC1CCC=CCC1	2050439759	CTCBMANZDIYFKP-QGZVFWFLSA-N	244.378	4.555	0	10	BJAE	
CN[C@H](CCCCC1CCC1)c1ccc(C)cc1	2050440882	YTGNBJHHERKISZ-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
C=CC=CCCN1CCCC[C@@H]1C1CCCCC1	2051678313	PNZFJJDPBWOYCB-QGZVFWFLSA-N	247.426	4.554	0	10	BJAE	
N[C@@]1([C@H]2C=CCCCCC2)CCCCC12CCC2	2053416081	OLJHNNGIWBWBML-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
FCc1ccc(N[C@H]2CCCC3(CCC3)C2)cc1	2055672425	SQUXMEKOYXMGGG-HNNXBMFYSA-N	247.357	4.681	0	10	BJAE	
C[C@@H](Nc1ccc(CF)cc1)C1CC2(CCC2)C1	2055673425	GDKDKJDBPOFWNJ-GFCCVEGCSA-N	247.357	4.537	0	10	BJAE	
CCCC1CCC([C@@H](C)N[C@H]2C=C(C)CC2)CC1	2055852822	QVLDRZAQPKYWGA-RDHHWEPZSA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H](CCC1CC1)C1(C)CCC2(CC2)CC1	2056559280	QVJBWMKOGNJODS-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1ccccc1)C1(C)CCC(C)CC1	2056560214	ZLRHFSKTUDMTEC-ARWYELJZSA-N	245.410	4.554	0	10	BJAE	
CN[C@H](C=C1CCCC1)[C@@]1(C)CC[C@H](C)C1(C)C	2056885242	ZPEVBQKSYKQLAW-YSVLISHTSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC=C([C@](C)(N)[C@@H]2CCCC(C)(C)C2)CC1	2060912921	HXRHGPQRDOUBBF-LXZKKBNFSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)[C@H]1CCCCC1(C)C	2060922001	OSYQKXFORNGONZ-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1=CCC(C)(C)CC1)C1CCCCCC1	2061088094	KLTPNZSPKMQTLB-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@@]1(CNCCC)CCC[C@H](CC)C1	2061563487	PJRHGGLLCAENLQ-DLBZAZTESA-N	249.442	4.694	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@]12CCC[C@@H]1C2)NCCC	2061619101	YUGOEUSMTULHNW-IXVCQNTISA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)C1CC(=C2CC2)C1	2061651496	YMDOQZVGTZYAFG-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CC2CC(=C3CCC3)C2)CC1	2061681972	GGUHGEMHGXHDQR-CXAGYDPISA-N	248.410	4.598	0	10	BJAE	
CCC1(CC)CC(O)(CC2CC(=C3CCC3)C2)C1	2061691633	RKEDSXUPCSGWBZ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC1CC(=C2CCC2)C1	2061704519	RVMKXSNULYPPLW-SUMWQHHRSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CC23CCC(CC2)C3)CC1	2065305135	HMUHLWIIAYSWTQ-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(C)cc1OC	2065989854	IDTAOMFSKWOLOE-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)[C@H]1CCC1(C)C	2068244772	NFDHMERWGSRLBY-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)c1ccccc1C(C)(C)C	2068822733	LZUMHUWAXQKNNQ-CZUORRHYSA-N	247.426	4.666	0	10	BJAE	
CCc1ccccc1NCCC(C(C)C)C(C)C	2068958202	QANAGRINTCCUFC-UHFFFAOYSA-N	247.426	4.979	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CCC3CC2C3)cc1	2069347685	NNYIGRUJHLRUHE-JDDSVCBVSA-N	243.394	4.801	0	10	BJAE	
C(CCNCC1(CC2CCC2)CC1)CCC1CC1	2069563353	FOMQBOVAAVQPHD-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCCc1ccc(NC[C@@]23CCC[C@H]2C3)cc1	2070790188	OXYPXYMHYSIZKU-RDJZCZTQSA-N	243.394	4.631	0	10	BJAE	
C[C@@H](NCC1(C)CCC(C)(C)CC1)C1CC=CC1	2070793460	FUODCPLBXKTHNY-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1ccc(OC[C@@]23CCC[C@H]2C3)cc1	2070917515	KNAQBHARPSZBNP-YOEHRIQHSA-N	244.378	4.553	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CCCC23CCC3)CCC1	2071939682	CJKKGKZJOCFQEW-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(CN)CC=CCC2)CC1	2072803426	IAHIWNHGSOXRDJ-ULQDDVLXSA-N	249.442	4.668	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@H]1CCC2(CC2)C1	2074634274	OMSNKZLMADTWBN-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN(C[C@H]1C=CCCCC1)C1CCCCCC1	2076555904	ISHLKJZDQDLVQD-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC=C(CC)[C@@H](C[C@@H](C)c1ccccc1)NCC	2077197638	SKTGFXAWTKTKMX-RHSMWYFYSA-N	245.410	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2C[C@H]2C2CCC2)C1	2079329704	TVTOXKLRYIYAET-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@H]1C[C@H]1CCC	2079441525	GAQYHTGIEHXQNM-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(CC(=O)[C@H]2C[C@H]2C2CCCCC2)C1	2079483701	GFVDYAJKTLTEPE-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCCC1	2079849888	BMURCCXKKVXPLP-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@@H]2C[C@@H]2C(C)(C)C)C1	2079868343	ZBMLMWKPVJUDMP-MXAVVETBSA-N	248.410	4.620	0	10	BJAE	
CC(C)=C(C)CN(C)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2081137585	QFKUGXRIMBEOMG-YESZJQIVSA-N	249.442	4.633	0	10	BJAE	
CN[C@@H](CC=C(C)C)C1=CC[C@H](C(C)(C)C)CC1	2081783777	YVDBGVKASDZHDR-HOTGVXAUSA-N	249.442	4.703	0	10	BJAE	
C[C@@H](C[C@H]1CCCC(C)(C)C1)c1cccc(N)c1	2082975995	NJXMNPYGJGFBIL-UONOGXRCSA-N	245.410	4.979	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)[C@]2(C)CC=CCC2)C1	2082977816	BOXYSYDWIPAUCP-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](C(=O)CC1C2(CCC2)C12CCC2)C(C)C	2083533656	OJHSASIKHJTDME-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)c1scc(C)c1C	2213631556	OZZHVMSGVQKNBF-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CCCCC2CC2)C1	2214561758	ANLKUHBCAVTNPX-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CCCCC2CC2)C1	2214576114	ANLKUHBCAVTNPX-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)C[C@@H](CC)C(C)(C)C	2215258552	VICLSCFOQWNAIL-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C)c(C(=O)C2(C)CC3(CCC3)C2)s1	2215389929	XWWBTMNSBFOTJF-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CN[C@@H](CCCC(C)C)[C@]1(C)CC=C(C)CC1	2215814842	RPRTZQNKHYZLEE-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(O)CCC[C@@H](C(C)(C)C)C1	2216251518	FREYYEVCCAQJHF-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](C)(N)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216746126	BVCFHEABIKCYQI-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CC[C@]1(C)CCN1CCCCCCCC1CC1	2216858392	COBNSWGWFSNWNQ-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CC(C)[C@H](CCCCCCCC1CC1)[C@H](C)O	2216861668	WLAVQSMFPFVEQQ-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@H](O)CCCCCCCC1CC1	2216867200	BFPWGEZUVHRGSA-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@H](N)CCCCCCCC1CC1	2216878550	DHHKLTDCGOSPPM-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CCCCCCCC1CC1)C(=O)O	2216903452	YZLUHMCMZBRRHU-CQSZACIVSA-N	240.387	4.628	0	10	BJAE	
CC[C@@H](C)NCC1(CCCC(C)C)CC(C)C1	2217126463	UBTDSHOJTVUBRT-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1(CC2(C)CCCC2)CCC1	2217138261	PVGDBOHZEQCCBH-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NCC(C)(C)CC1(C)CCCCC1	2217144949	KNZUEKXKIPOSET-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@@H]1CCCC[C@H]1C	2217149578	IYHIDUBRZBKRGJ-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1([C@H](C)[C@H](C)CC)CCCC1	2217151681	XTSONTFOSFNISO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C)c1ccc(CCC(C)(C)C)cc1	2218533204	BPVVZHPFRABGAX-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CCC[C@@H]2C[C@@H]21	2218728782	VWBMBVWCBWGYAC-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC[C@H]1CCC=CCCC1)C1CCCCC1	2220301935	KBBHSQDRYGDXMS-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1	2222950491	XLJPRIGCCCAWAA-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CN(CCCCCCCC1CC1)[C@H]1CC=CCC1	2223106551	TVTCXUWEDWCOBO-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
O=C(CCCCCCCC1CC1)C1CC2(CC2)C1	2223119589	FTYKVFBYSPBYOV-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
O=C(CCCCCCCC1CC1)C1C[C@H]2C[C@@H]2C1	2223133410	VRDSRAUZUJHSIB-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CN[C@H](C)CC)c1ccc(C)cc1	2223554154	YCSRFLALBCFTEA-NVXWUHKLSA-N	247.426	4.657	0	10	BJAE	
O=C(CCCCC1CC1)c1ccc2occc2c1	2224158884	SMAMLIBHNMIXLC-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CSCCC(=O)CC[C@@H](C)CCCC(C)C	2244835918	HFZHOXOJYMYXMS-ZDUSSCGKSA-N	244.444	4.551	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2(C)CC(C)C2)C1	2246522988	MTYJUKJZMONEHM-MYMJJRTCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC[C@H]1CCCC12CC2	2247607795	UPEYCNFJPQBQTC-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](C)Nc1cc(C)c(C)c(C)c1	2249485424	BRXGKNQJLMRMAJ-CQSZACIVSA-N	233.399	4.993	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)[C@@H]1CCCC(C)(C)C1	2250363522	ALJFVQKAANYFBR-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@H](CC)CC[C@@H](C)CCCC(C)C	2250490425	IYWBJILMSOOFSO-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
N[C@H](C[C@@H]1CCCCC12CC2)C1CCCCCC1	2253832028	LPIAQWXMGMOYJT-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](C)c1ccc(CCC=C(C)C)cc1	2254243680	UFCUXYPUMBZNBL-HNNXBMFYSA-N	245.410	4.646	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H]1CCCNC12CCCC2	2254520312	HZWKKNMFTAFAEI-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC1(C)C)[C@@]1(C)CC=CCC1	2254849620	UUVCLJNLDBSTQH-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@H]1CCC12CCC2	2255026756	JFLDFKCAXAWWMZ-CQSZACIVSA-N	242.362	4.538	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](C)N(C)CC2=CCCCC2)C1	2255060188	YBEYKKMFSOLZDS-BFYDXBDKSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@@H]1CC1=CCCCC1	2255091735	NABLLMDLIFBFHU-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@]12CCCC[C@H]1CC2	2260500900	MUJNLXAVKJDROZ-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)[C@]23CCCC[C@H]2CC3)CC[C@H]1C	2260522682	XYGKQJAIMHDUHY-MDLJMBGESA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)[C@H](O)c1cccc(C2CCCC2)c1	2260732244	WUDQDPDFTKBEHJ-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CN[C@H](CCC1CC(C)C1)CC1CCC=CCC1	2261494836	GIQYTCZNUATMNZ-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@H](C)CC1CCC1	2298908675	RKLDGTWVPBFYRF-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@]12CCCC[C@H]1CC2	2300683683	MFJYMVDFMRZELW-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C[C@@H]1C[C@@H]1CC	2300699942	IUISNBWCRBCCLR-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H](CC)CC(C)C	2300872630	RJHPTQWJTHRQKX-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1cccc2ccsc12	2300902100	QJUVZBCRUVANHM-CQSZACIVSA-N	245.391	4.648	0	10	BJAE	
O[C@@H]1CCCCCC[C@@H]1CC1CCCCCC1	2301140130	MJOPGUWNWRGOMT-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CCCC(=O)CCC[C@@H]1C[C@H]2CCC[C@H]1CC2	2301240727	CCUBGWNKIDIJBW-SOUVJXGZSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2301827641	CZOJSADTCGVZIQ-SEBNEYGDSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)[C@H]1CCC[C@@H](C)CC1	2301836467	MXMOXTWNGNGZFI-TUVASFSCSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(CC[C@](C)(O)[C@H](C)C(C)C)C(C)C	2301919410	ORWZPUKTRCEZKE-ZBFHGGJFSA-N	242.447	4.738	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N(C)[C@H]1CCC[C@@H](C)CC1	2301978227	MTZKPFCGBHIALF-WCVJEAGWSA-N	239.447	4.568	0	10	BJAE	
CC1(C)CCC[C@H]1c1nc(CCC2CC2)cs1	2302267684	LLFROTGFBVLACJ-ZDUSSCGKSA-N	249.423	4.779	0	10	BJAE	
CCc1cscc1N[C@H]1CCC[C@@H](C2CC2)C1	2302891275	AYCYTEPGRDMWND-KGLIPLIRSA-N	249.423	4.691	0	10	BJAE	
CC(C)NCC[C@@H](C)CC[C@H]1CCC(C)(C)C1	2304408753	BJZIZJOSZDJGER-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC[C@@H]1CCC(C)(C)C1	2304447223	MCYYUKDZHYMWNF-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C)(C)c1nc([C@H]2CC23CCC3)cs1	2304507655	FCXOYOKBNTXDCU-LLVKDONJSA-N	249.423	4.734	0	10	BJAE	
CCC[C@H](CC)CC(C)=CCCNCC(C)C	2307823823	PSKCVGGERQKETE-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccc(C)c(C)c1	2307903167	NXXDAAIKTBQTSG-GOEBONIOSA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@H]1CCC12CCC2	2307906248	CVZSJHNUHMMCGW-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1C[C@H]2CCCC[C@@H]21	2307927008	UEZCTXIUEIAIOB-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1CCC[C@@H]2CC[C@@H]21	2309517658	ITRNQFGPIGHJHT-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCC1CCC1)CC[C@@]12CCC[C@@H]1C2	2310374997	MISGSDMISAHXKT-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC[C@@H]1C[C@H]1C)c1ccccc1C(C)C	2311273452	GUNSSIHWDSOTMF-CPUCHLNUSA-N	245.410	4.507	0	10	BJAE	
CCC(CC)CCN1CCCCc2ccccc21	2316248539	QDKVEUVFTCUDOM-UHFFFAOYSA-N	245.410	4.656	0	10	BJAE	
C[C@@H]1C[C@@H]1NC(C1CCCCC1)C1CCCCC1	2316367378	NUMWCQDRLIEDNU-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1CCC2(CC1)CC2	2316511381	ZPAXRPSBGHAJEU-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@@H]1CCC[C@@H]2C[C@@H]12	2316542704	SLADLOWMHSPRLW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](F)c1cccc2c1NCC2	2317995957	VNYCJPQOPSSUJH-SLEUVZQESA-N	249.373	4.593	0	10	BJAE	
CCc1ccc(C(=O)CCCC2=CCCCC2)o1	2318507077	PVTOVOHMXOTBAC-UHFFFAOYSA-N	246.350	4.695	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@@H]2CCC(C)(C)C2)c(C)c1	2319084206	ZPWUOQKNSBXVDC-HOCLYGCPSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C[C@H]2CCC[C@@H]3C[C@H]23)C1	2319297449	RHIFJZSUZNPZAG-IXYNUQLISA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1CCC[C@@H]1C	2320411841	GIYXTNDKVATQRK-RKTXRCNFSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2CC(C(C)C)C2)CC1	2320412492	JWUWQUHTPGHNJG-FHERZECASA-N	248.410	4.764	0	10	BJAE	
CC(C)c1cccc([C@@H](O)CCC[C@@H]2C[C@H]2C)c1	2320515010	JAERIYJCIAJIHI-UNEWFSDZSA-N	246.394	4.670	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)c1cccc(C2CCC2)c1	2320654693	AGNAFOQBIRZYOS-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CC(C)(C)C[C@@H]2C)c1	2321083129	OCFFTLAJYYTWSN-NHYWBVRUSA-N	249.373	4.625	0	10	BJAE	
C[C@@H]1CC=CC[C@@]1(CN)CC[C@@H]1CCC(C)(C)C1	2321619014	ILEHJQZBYRLMGP-VYDXJSESSA-N	249.442	4.524	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C[C@H]3CCC[C@@H]32)c1F	2327808550	XUIKYVROWLQQOH-OSAQELSMSA-N	247.357	4.550	0	10	BJAE	
CC(C)c1ccc(-c2ccc([C@@H](C)N)s2)cc1	36927734	CPLGCECMGVVJCW-LLVKDONJSA-N	245.391	4.558	0	10	BJAE	
C[C@H](N[C@@H](CC(C)(C)C)c1ccccc1)C1CC1	37128583	MCCVOPXETPQGFB-BBRMVZONSA-N	245.410	4.552	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)CCCC	37318100	SBNKULMBFJFWLL-KBPBESRZSA-N	213.409	4.514	0	10	BJAE	
CCCC(CCC)N[C@@H](C)c1cc(C)oc1C	44729470	IDAYWBUJMPBIBD-LBPRGKRZSA-N	237.387	4.516	0	10	BJAE	
CCCCCC[C@]1(N)C[C@H](C)CC(C)(C)C1	71084897	QPXONNRQIHVMGH-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(SC)cc2)C1	71104961	NURONCWVRLQIIW-OCCSQVGLSA-N	249.423	4.789	0	10	BJAE	
C[C@@H]1CC(Nc2cccc(Cl)c2)C[C@H](C)C1	82829394	PTRTVUWBMSVLKZ-BVUQATHDSA-N	237.774	4.577	0	10	BJAE	
CC[C@@H](Nc1cccc(Cl)c1Cl)C1CC1	83054742	QIACJHRYGDRPRW-SNVBAGLBSA-N	244.165	4.594	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC(C)(C)CC2)cc1F	86893959	NYQYPIXSJILWNX-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CCC1CCC([C@H](N)C2CCCCCC2)CC1	87947127	XZIWKKPQXUWTTO-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCCc1ccccc1)NCCC	93074069	FMCLMOYIOKDDKY-QGZVFWFLSA-N	247.426	4.568	0	10	BJAE	
CCCN[C@@H](CCC)c1ccc2ccccc2c1	103951580	SAAMHXZBZJFTTA-KRWDZBQOSA-N	241.378	4.681	0	10	BJAE	
C/C=C\C[C@H](CC)c1cccc(Cl)c1	107498639	AEAHKPXUYPJLCV-MZBZXASESA-N	208.732	4.800	0	10	BJAE	
CCC(=O)CC[C@H](CC)c1ccc(Cl)cc1	107561373	NOXAFRMCADTFAS-NSHDSACASA-N	238.758	4.593	0	10	BJAE	
Cc1cc(C)c(NC2CCC(C)CC2)c(C)c1	109899277	HVSURVVTRADTJE-UHFFFAOYSA-N	231.383	4.602	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(C)cc1C	110153638	GUUPIOKJFPKLHH-OAHLLOKOSA-N	233.399	4.932	0	10	BJAE	
CC1(C)c2ccccc2Nc2ccc(Cl)cc21	114611658	IOEABXFXRWILSK-UHFFFAOYSA-N	243.737	4.723	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)C1(C)CCCC1	125255132	JBNMNGGYHNXECM-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H]1CCC[C@H](C2CCCCCC2)C1	149433877	DIBGGSAVANPZJO-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1cccc(C)c1F	165805964	DBLHJWDWHZOFAZ-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
CC(C)CCCC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	166168455	PMJRVCDJXLADQQ-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@@H](O)c1cccc(C2CCC2)c1	168761054	DIBVGWQDNYQQFI-QGZVFWFLSA-N	246.394	4.958	0	10	BJAE	
C[C@H](C[C@@H](O)C1=CCCCCC1)CC(C)(C)C	203412227	GRNZSUUGWBZWHH-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@@H]2C(C)C)cc1C	214444142	IDBCTHPSGTUTDV-IAGOWNOFSA-N	245.410	4.930	0	10	BJAE	
CCC1CCC(Nc2c(C)cccc2F)CC1	224957068	ADAVCTSRRRYQPR-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)C2CCCCCC2)C1	227358582	HOYFPNVVZKHACV-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC(C)(C)C[C@H]2C)c(C)c1	235312155	MEWDAYUWRIZXND-HUUCEWRRSA-N	245.410	4.848	0	10	BJAE	
Clc1cc(Cl)c2sccc2c1Cl	238541359	HNECIEOCRCJKCY-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@H](CC)[C@H]1C	250796243	AZCBTGGQQYPSNW-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(C(C)C)cc1C(F)(F)C(C)C	259060510	WRKBTRQJJQQEMT-UHFFFAOYSA-N	226.310	4.866	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1sccc1Cl	300972653	SHCMJDXJMJXBNN-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)CCC1CCCCC1	302238450	BYHZHXHQFYYDSS-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)C1(C)CC1	305894725	BLWJDYFQDBPIGA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CCCC(C)(C)C	305907119	GCISPRBHIOIXFZ-CQSZACIVSA-N	234.383	4.553	0	10	BJAE	
CCN[C@H](CC[C@@H](C)CC(C)C)C1CCCC1	305908554	DPAJWNZNOAOXGF-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
Cc1c(N)cccc1S[C@H]1/C=C/CCCCC1	306006206	OCEDYSJFEUOPHC-LJLILKBBSA-N	247.407	4.558	0	10	BJAE	
C[C@H](C[C@H]1CCCCC(=O)C1)C1CCCCC1	310336316	MVUFBTLPPXJJOE-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1n1ccc2c(F)cccc21	310560755	YLYZXOBQHWTVKS-IUODEOHRSA-N	245.341	4.922	0	10	BJAE	
Cc1c(F)cccc1N[C@@H](CCC(C)C)C1CC1	310773716	OYSPIPFCXOQCLE-INIZCTEOSA-N	249.373	4.761	0	10	BJAE	
CCC[C@@H](N[C@H](C)c1ccccc1)C1CCCC1	313456768	BTWNUHOLWNEFGV-RHSMWYFYSA-N	245.410	4.696	0	10	BJAE	
C[C@H]1CC[C@](CNC2CC2)(CC2CCCCC2)C1	318171850	IJCXJJIBFTWQIR-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)C1(CC(C)C)CCCC1	319990732	KSHKSAVBXIBGMX-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]([C@H]1CC[C@H](CC)CC1)[C@@H](C)CC	328357489	RWPLVDQYVCIWEL-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)c1cccc(C)c1	381325181	GXNFSHVDGLSNGS-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](C)c1csc(C)c1	381638013	WOLLOBNDZSDVGK-RYUDHWBXSA-N	239.428	4.532	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC23CCCC3)c1	383012859	BNJULSTULDBCGO-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
CCCN[C@@H](c1ccccc1CCC)C(C)(C)C	384683389	UXGBQTPSEPSKHA-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CC/C=C/CN[C@@H](C)c1ccc(CC(C)C)cc1	384958644	HBQDVXUIWLFDFI-LFAOLKIESA-N	245.410	4.502	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC1=CCCCC1)NC	385809984	QBRAVNDLGMRNSM-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
COc1ccc(N[C@@H](C)CCC(C)(C)C)cc1C	394140061	SFDKFDMZFYYRJZ-ZDUSSCGKSA-N	249.398	4.630	0	10	BJAE	
CCc1ccc(NCC2(C)CCCCC2)cc1	394670856	QIOQZPBHRDABNJ-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCCC12CCC2	394785781	UDOKSHQJZPCTJT-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CC(C)NC[C@H](C)[C@H](C)CCC1=CCCCC1	395311112	HAEMZDFEJKBWLB-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCc1cc(C(F)(F)F)c2sc(C)cc2c1	396298766	GVRAXSBRBLHEMD-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
C[C@H](C[C@@H](O)CC1CCCCCC1)C1CCC1	398528016	QSJCESJTOAQDFT-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC=CCC1)c1ccsc1	402128846	DZNSBYUIDGSDNL-ZFWWWQNUSA-N	249.423	4.535	0	10	BJAE	
CC[C@H](Nc1ccc2c(c1)CCCC2)C1CCC1	404724975	WZDJLSYLXOVKLY-KRWDZBQOSA-N	243.394	4.556	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C1CC1)[C@@H](C)CC	405800057	JYAPQRYPNZXZPD-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC/C(=C/C1(C(C)C)CCC1)CNC(C)(C)C	686130144	MINABOFYJNAIKK-KAMYIIQDSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1CCC[C@H](C(C)C)C1	686307783	VASQWHQAAZIRDI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CC(C)(C)c1ccccc1)C(C)(C)C	686648551	BHNIQSMSRARGPV-KRWDZBQOSA-N	248.410	4.542	0	10	BJAE	
CN[C@H](CCCC1CCC1)C1CCCCCC1	688354912	BTNCTGHWKXPFRR-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(=O)C[C@H](C)C(C)(C)C)CC(F)F	688833238	JXBATBHVWAWLDB-WDEREUQCSA-N	248.357	4.699	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C(C)(C)C2CCC2)c1	688983345	NCRCGMPXSQUVHE-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1ccsc1	691076561	NORSTOCFBCJGFM-YPMHNXCESA-N	223.385	4.519	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1CC2CCC1CC2	691699907	SQQRUMTZXRNEDH-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CC2CCC1CC2	696546116	NZJYHZGPJXDHBM-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1(CC)CCCC1	696635470	RNIGHHUQMGQDRL-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O	697629758	LQPWKIARUQMQFF-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2C[C@@H]3C[C@@H]3C2)cc1	698031637	JZRRKLCDHYQMCB-UGQVUOCMSA-N	244.378	4.625	0	10	BJAE	
CCC(C)(C)C1CCC(O)(C(C)(C)CC)CC1	700942862	LUQMVJYVOGEHAB-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(N)CCC(C)(C)C	704839928	AOENTXDXIMEMGB-ZFWWWQNUSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@](C)(N)C[C@@H](C)C1CCCCC1	704954072	CJCTYEAIVSONLF-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCc1ccc(C(=O)[C@H](C)CC(C)C)cc1CC	709120891	ARSXZGTZBOVWTE-CYBMUJFWSA-N	246.394	4.676	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@H](C)CC(C)(C)C	709127318	QCGBDMHWAQLTBU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@H](CO)C1CCCCCC1)C(C)(C)C	710804960	REJGBUNZESSVAG-DZGCQCFKSA-N	240.431	4.638	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1cscc1Cl	711566735	PYLNKLUNCUHFSI-NSHDSACASA-N	245.819	4.618	0	10	BJAE	
CCC(C)(C)C[C@@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	713228463	HVLKPENGOFTSCD-XJKCOSOUSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccccc1OCC(C)(C)C(C)C	713239556	KEKGJCZIEOSXHB-UHFFFAOYSA-N	234.383	4.871	0	10	BJAE	
C=C/C=C\CC[C@@H](NC)C1CCC(C(C)C)CC1	713737864	ANDVMQYQFOCIPT-GLFNWFFDSA-N	249.442	4.559	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@@H]1CC[C@@H]2C[C@H]12	716852800	WWDSJBMKQKAUPN-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@H]1CC1(C)C)NCC	723178283	LQRSQBOHWNYVKX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(N)(CC(C)C)CC1CC(C)(C)C1	723579296	SFVYPJKMZJKCSM-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)c1ccc(OC(F)(F)F)cc1C	757569032	VDLUJAPLKHHTSG-UHFFFAOYSA-N	244.256	4.707	0	10	BJAE	
C=C/C=C\CCN1CCCC2(CCCCC2)CC1	1307687365	ZXBWPMCKBZLXRV-ARJAWSKDSA-N	247.426	4.555	0	10	BJAE	
C/C(=C/Cl)CS[C@H](C)c1ccccc1	1473021291	AGJKXQMZSHDWRA-HIJJYWJESA-N	226.772	4.623	0	10	BJAE	
CCCCCN(C)[C@@H](C)c1cccc(Cl)c1	1559489652	AJWCJOSROFMKTG-LBPRGKRZSA-N	239.790	4.523	0	10	BJAE	
C/C(=C\Cl)CSC[C@@H](C)CC(C)C	1652796854	HAUPTYJSUWDMHZ-OTXQMUPVSA-N	220.809	4.544	0	10	BJAE	
CC=CCCCC[C@H](C)CC(F)(F)F	1885359964	AFNKFBZHUZETJX-JTQLQIEISA-N	208.267	4.711	0	10	BJAE	
Fc1cc(Cl)c(C2CC=CC2)c(Cl)c1	1886332549	KVLSWAXJBQOIJT-UHFFFAOYSA-N	231.097	4.566	0	10	BJAE	
CCC(CC)CCOc1ccc(Cl)cc1F	1900691200	OWEJXRAVUKASRQ-UHFFFAOYSA-N	244.737	4.684	0	10	BJAE	
CCCC(CCC)[C@H](O)CCC(CC)CC	1900696028	HPXAKXWXIGOECM-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CCC(C)=CCCc1cc(OC)ccc1Cl	1900832198	KMDCYRAKERKEPL-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
CC[C@H](C)C(=O)CC=C(C)CCCC(C)C	1900899593	CHEWAKSDKYQLCC-AWEZNQCLSA-N	224.388	4.764	0	10	BJAE	
CCOCCCCC=C(C)CCCC(C)C	1901412298	NXVREYWEVIKKRO-UHFFFAOYSA-N	226.404	4.966	0	10	BJAE	
CCC[C@H](CC)CC(C)(C)CNC(C)(C)C	1905313340	YMFCXZAKZOQPSH-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC[C@H]1C)C1CCCCC1	1905723268	REQUBHCJWFZVNR-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H]2CCCCN2)CC1	1909703321	NGGAKEKAIBRTKP-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2C[C@H]2CC)CC1	1909711216	QVDIALRYPLZDBT-NEXFUWMNSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CN1C[C@@H](CC)CC[C@H]1C	1909988561	UZLFTIBVTHKQNK-PMPSAXMXSA-N	239.447	4.713	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@@H](C)C(C)(C)C	1912052751	JRCVZXHQIWESNT-CQSZACIVSA-N	239.447	4.783	0	10	BJAE	
CCC(C)(C)CCC1(CN)CC2(CCCC2)C1	1912563540	JKACPQUELJVSOE-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
NC1([C@H]2C=CCCCCC2)CC2(CCCCC2)C1	1912608064	WMJQLQRWWLACRI-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)C1CC(CC)C1	1921269961	BCXAVHSRSOVZRW-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCCNCC1(C[C@H](C)CC)CC(CCC)C1	1921293133	WVEQDCNLOZCOEI-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(C(=O)[C@H](C)C2CCCC2)CC1	1924139994	VEPYQJJFDCBEKF-DNOWBOINSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@H]2C=CCCCC2)C1	1925762684	FOJUKIZWYVJOPK-XHSDSOJGSA-N	248.410	4.764	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@H]1C=CCCCC1	1925779379	YKRLNFWIBRFCTN-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
CCN[C@H](CC1CC(C)C1)C[C@@H]1C=CCCCC1	1925793538	VIOXKGGOUSGJPK-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC(=O)c1cc(C)c(Cl)s1	1926201574	VFKLCJFKRMEPEM-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
CCCCCCC(=O)c1sccc1C1CC1	1937041235	KCZHDPNDHGLGIB-UHFFFAOYSA-N	236.380	4.779	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cccc2sccc12	1938276476	BLSRSYMUINLYGW-SNVBAGLBSA-N	232.348	4.520	0	10	BJAE	
CC(C)(C)CC1(O)CCCCCCCCC1	1938718355	HFUNTOBZNXHJEO-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CCC[C@]1([C@H](C)CCC(C)C)CCCCCN1	1942664636	UAMJJEQPKMSQPN-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CCNCC1(C)CCCCCC1	1942800117	XDPYIXWHXMKCOP-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCCNC[C@]1(CC=C(C)C)CCCC1(C)C	1944479287	AMBYQCQVLIBUKV-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](CC)NC1CCC2(CCC2)CC1	1944545625	HESPXPQIGVXSMM-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
Clc1ccccc1N[C@H]1CCCCC12CCC2	1947880013	UOASHQRPUVFNOJ-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
CC[C@H]1[C@@H](C2(N)CCCCCCCCC2)[C@@H]1C	1947881352	NNYYEARUSUEEGM-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@@H](C)CC(C)C	1948324918	DMGRRWPNQMJRFI-JJXSEGSLSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC[C@@H](CC)CC(F)F)NCC	1948428253	FCNIUBVHIFZOCF-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCC[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948584973	HBRZSYCLQSMIDT-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@H]1CCC(C)(C)C1	1949398404	FZXWLXWHWVQNCB-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@H]1CCC[C@H](C)CC1	1950921585	HAYDEGMZNGOJQN-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CC(CC)(CC)C2)C1	1963220406	NEPPXTPCCKAITP-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCc1ccccc1CN[C@@H](C)C(C)(C)CC	1966379109	LBZKOQOKJQWNOY-AWEZNQCLSA-N	247.426	4.553	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC3(CCC3)C2)cc1	1968260236	ODLMXTDHRACEPZ-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1CC(C)(C)C1	1978452317	ZZGVYCKYZFEIHQ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCc1csc([C@H]2CCCCC2(C)C)n1	1981850544	OQGKIVHDJOQZQN-GFCCVEGCSA-N	237.412	4.779	0	10	BJAE	
Cc1cnc(-c2sccc2C2CC2)cc1Cl	1993669737	QWCIPVXXZSHVBV-UHFFFAOYSA-N	249.766	4.649	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CCCC1CC1	1995259875	QMGQXQAKTMYJOC-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NCC)C(C)(C)C	1995261984	JNLDMQBRQSGBIA-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC/C=C/CN[C@@H]1CCC[C@@H](CC(C)C)C1	1995875631	VCWULGLCSMLVOR-BUWFCSEKSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C1CC(C(C)(C)C)C1	1998234773	MWFFATNLJWYOAW-NRXISQOPSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)C1CC(C)C1	1998648898	FRWCGSGEZVUZCN-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CC1(C(=O)C[C@H]2CCC=CCCC2)CCCC1	1999981529	PCALDPQPXZFHCN-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(O)CC2CCCC2)C1	2000037168	FZOUGSNOGSMULW-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@H]1CCCC(C)(C)C1	2000044027	GDXQITXYFXDLCV-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@@H]1CC[C@@H](C)C1	2000309910	PXIFKJUGCOGGTE-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CCC1CCC1)CNCC(C)C	2000518122	KZBCLZGKYAUDEN-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CC[C@H](C)CC1)CC(C)(C)C	2003066867	JLRTZZIGERIAKQ-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CCCCCC1CCC(C(=O)[C@H]2C[C@@H]2C)CC1	2003068621	LRSBWLMQOISDIR-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)[C@H](C)CCC(C)C	2003175537	KRXUWYCZRZGBBB-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CCC(O)([C@@H]2CC[C@@H](C)C2)CC1	2004353057	NXEDUUNDEBOCMS-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](N)C1(C)CCCCCCC1	2004920526	KUEQSIDRMHXILC-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@@H](C)NC[C@H]1CCCCC12CC2	2005609618	JVTHSBDXHKALCJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@H](CCCC(C)(C)C)C1	2006624726	RZICPARTICVABP-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@@H]1CCC[C@@H]1C	2006757405	CTTSVFOEBJDBIC-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@@H]1CCC[C@H]1C	2006760469	WQJRXDGBUKSREG-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CCC=C(C)C)[C@H]1C	2006978801	AVIUYYLYMAXESS-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CCCC(C)(C)CC1	2009569386	OKBJUIMTMYZTGG-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
C/C=C/CCC[C@H](CCC1CCC1)NCCC	2009627089	IQTREABOCPSJSW-LLCTXKFZSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(O)(CCC(C)(C)CC)C1	2009713765	FZCBNBMNEMRNCQ-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)[C@@](CC)(CNCC(C)C)C(C)C	2012413693	UAFVWESAZZPFFR-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](CCC(C)C)NCCCC1CCCC1	2013262848	DKTKTIQAZXMSBV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCCCC(C(C)C)C(C)C)C(C)C	2015344421	JZXPQLRGRYHCOB-INIZCTEOSA-N	241.463	4.719	0	10	BJAE	
CCCCCC[C@](C)(N)CC(C(C)C)C(C)C	2015398016	KMMONCVSSGDIJC-INIZCTEOSA-N	241.463	4.993	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](C[C@H](C)C(C)C)C1	2015410274	UQDCSYWDMLLZGP-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)C(C)C)C1CCCC1	2015410451	VKXVRVQWFIWCTF-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H](O)[C@H](C)CC(C)(C)C)CCC1	2015635940	ROMSKBBJUUFBDV-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@H](CC1(C(C)(C)C)CCC1)NC	2017143249	LPTGYLRSRQHLOX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@@H](C)C1CCCCC1	2017701145	GBYQTWPZRSLTSL-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(CC(=O)C[C@H]2C[C@@H]2C)CC1	2017775687	FIZBJNXLHWVIRI-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)CC1[C@@H]2CCCC[C@@H]12	2018129165	IDLIIVSUBKCQQW-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@@H](O)c2cc3ccccc3s2)CC1	2018964207	FTHLOOPQLNEGDD-GFCCVEGCSA-N	246.375	4.515	0	10	BJAE	
CCCC1(C[C@H]2CCCCCCC[C@H]2O)CC1	2018977751	QFQILBOQTSOUNL-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CCC1CCCCC1	2019198264	HBIVBGSVHUJUFO-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
C[C@H](C[C@]1(O)CCCC(C)(C)CC1)C1CCC1	2019765896	FYTIYGWDCYSUML-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC(=O)[C@H]1C[C@@H]1C1CCCCCC1	2022414878	NXDYMXNIUVTLCO-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)CCC1CCCCC1	2022489880	NXLOPAYJPRCHIQ-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)cs1	2022990228	DYGZLSPMSOHPKD-AEGPPILISA-N	249.423	4.827	0	10	BJAE	
Cc1cc(C)c(-c2cc(=S)c(C)c[nH]2)c(C)c1	2023460392	QWMPCXKCIQINRM-UHFFFAOYSA-N	243.375	4.645	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CCC[C@H]1CC(CC)CC	2024001687	UAVHUZGHYXANCN-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H]1CCC(C)(C)C[C@H]1CCCC(C)(C)C	2024120515	WOIFKFGNWCTSEI-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(=O)[C@H]([C@@H]2C=CCCCCC2)C1	2024124285	MPLBSPLHMNXZKF-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC(C)c1cccc(-c2nc(Cl)ccc2F)c1	2024688032	QGFSVQVPRKFGEX-UHFFFAOYSA-N	249.716	4.665	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CC[C@H](C(C)C)C1	2025586268	BLEYVBQORWOAQE-VGWMRTNUSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@]12CCC[C@@H]1C2	2026170641	REKMBHUNRZAKFT-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@]2(C)CC=CCC2)n1	2026530133	XVXWGTWIMWBVDM-IUODEOHRSA-N	249.423	4.730	0	10	BJAE	
C=CC=CCC[C@@H](NC)c1ccccc1C(C)C	2027518374	QLXXGCAAUQPEQT-QGZVFWFLSA-N	243.394	4.593	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@@H](C)C1CCC1	2027519028	YLPUQFZKPOFIOC-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)c1ccccc1C1CC1	2028559508	HFUYSYHGJBMWMN-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
C[C@H](CCCCCC1CC1)[C@H](O)c1ccccc1	2028626940	YMLFRNLRNGHPLO-PBHICJAKSA-N	246.394	4.717	0	10	BJAE	
CNC[C@H]1CCCCC[C@H]1CC1CCC=CCC1	2028875121	CUXJFBNSGDRHSZ-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CCc1cccc2ccn(C[C@@H]3CCC[C@H]3C)c12	2032484608	SKFAKKGDBZFEJW-CJNGLKHVSA-N	241.378	4.640	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@@H]2CCC[C@@H]2C)cc1	2032514736	OKZKTMIIJRLTEM-RRQGHBQHSA-N	245.410	4.636	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)c1	2034260322	DJXIORSNZUYGND-VBNZEHGJSA-N	247.357	4.515	0	10	BJAE	
CC=C[C@H](C)N[C@@H](C)c1ccc(CC(C)C)cc1	2034980251	VECCXDLDBKYTHY-GJZGRUSLSA-N	245.410	4.500	0	10	BJAE	
CCC1(C)CC(N[C@@H]2C[C@H]3CCCC[C@@]3(C)C2)C1	2036659610	DAQZYUKIBRSJAE-AKNDPVLGSA-N	249.442	4.514	0	10	BJAE	
CC1CCC([C@]2(N)C[C@H]3CCCC[C@@]3(C)C2)CC1	2036660219	IPYIMLLNWCDOGB-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@](N)(CC)c2cccc(C)c2)CCC1	2037103676	RNZWFMLOEOEARR-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)c1cccc(C2CC2)c1	2040724532	WMOCYFXHZJDZLH-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](N[C@@H](C)CC1=CCCCC1)C1CCCC1	2043187905	PFAHHZWBTNDARG-YOEHRIQHSA-N	249.442	4.824	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@@H]1CC(C)=C[C@H](C)C1	2045697443	ZAQUVRZXTMLLGV-RRQGHBQHSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@]1(CCC=C(C)C)CCC12CCC2	2047958734	LCWWPEPKBVQJEM-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](C)NC2CC3(CCCC3)C2)C1	2049544244	RSFGKBBHYFFYMC-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@@H]1CCC2(CC2)C1	2049851235	APPFTOAUSDWJSX-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)C[C@@H]2CCCC3(CC3)C2)CCCCC1	2049952250	VUWNQHYLNFAVIT-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1CC(CC(=O)[C@]2(C)C=CCCC2)C[C@H](C)C1	2050001247	WJSWAGNVGLOFLP-CKEIUWERSA-N	248.410	4.764	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(N)C3CCCC2CCC3)C1	2050012029	LGHMOQKSCMFKJR-HHPWFTGOSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@]2(CN)CCCCC23CC3)CC1	2053413329	WZCMLDPCXRKVOO-DQPZFDDXSA-N	249.442	4.502	0	10	BJAE	
C1CCCC(CNC[C@H]2CCCCC23CC3)CC1	2053434299	QDOUNGIITCQORP-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@H]1C)[C@]1(C)C=CCCC1	2055281305	YDBOUQOECYQTCU-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@H]2C=CCCC2(C)C)C1	2055536955	RACBZFOFTRGABO-WCVJEAGWSA-N	249.442	4.536	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](CC2C[C@H](C)C[C@@H](C)C2)CC1	2055537561	VQWKFVFIGBMYQH-UDVXPWBQSA-N	249.442	4.523	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)C1(C)CCC(C)CC1	2056552623	MSYNFQSLHOEEIU-JCCCHCCOSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C=C1CCCC1)[C@]1(C)CC[C@@H](C)C1(C)C	2056885241	ZPEVBQKSYKQLAW-UNEWFSDZSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2059254631	AMIXFCWDWBUWBI-DZZNIXLJSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)C1=CC[C@@H](C)CC1	2060911148	WLYQWEKPSMFOKH-HYVNUMGLSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@](C)(N)CC2CCCCC2)CC1	2061114154	VZNAFLXWIHNOIG-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)C1CC(=C2CC2)C1	2061651499	YMDOQZVGTZYAFG-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CC1CC(=C2CCC2)C1	2066062889	CZRFNZXIMQDEGN-CQSZACIVSA-N	249.442	4.633	0	10	BJAE	
CC(C)(C)CC1CC(N[C@@H]2C=CCCCCC2)C1	2067968423	PCTITOIUORLEJM-HWOWSKLDSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2068711359	SHIZQZOJMCJMEA-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@H]2CCC23CCC3)CCC1	2069338010	RNSBSROEXHSLCQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC1(CC2CC2)CCC1	2069508049	ZINKZNNOYIPFRU-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2CC[C@H]3C[C@H]32)CC1	2070998010	DQHGJAPJWSKIJV-LHJGCZIBSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@]2(C)CC=CCC2)CCC1	2071916010	UZERERVJNJJKRZ-INIZCTEOSA-N	248.410	4.908	0	10	BJAE	
CC(C)(C)C1(CC(=O)C(C2CC2)C2CC2)CCC1	2071918633	DUUBWBPNDKAGDS-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2CC3CCC2CC3)CCC1	2071919999	QKAPDEVZSIDRTO-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(C(=O)C[C@H]2CC[C@H](CC)CC2)o1	2072875268	MEWXLWZAVWOAOZ-JOCQHMNTSA-N	248.366	4.631	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@]23CCCC[C@@H]2C3)c1	2074050698	LHVZHSKSAMXXKZ-NVXWUHKLSA-N	242.362	4.538	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	2074596060	XHPXIPJBGJPNPH-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
CC1CCC(N2CCCC3(CCCCC3)C2)CC1	2075114390	MQNLJHLTIMRUKQ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
O[C@@]1(CCC2=CCCCC2)CCCCCC12CC2	2075710528	RXNQAHFXDQHEAD-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(-c2ccc(C(C)C)cc2)ccc1O	2076827118	YZVBQQJQDYQJKV-UHFFFAOYSA-N	240.346	4.745	0	10	BJAE	
C[C@H](CC1CCC1)Nc1ccccc1C1CCC1	2077264205	MGVRRMKUWDVFIY-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2C[C@@H]2C2CCCC2)CCC1	2079434110	DVBNVILMZZUEFD-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2C[C@H]2C2CCC2)C1	2079438659	JCVSSJZUXMSSND-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CN[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079533710	ZQWYFEWQQDVYAJ-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1C[C@@H]1Cn1ccc2cccc(CC)c21	2079821760	WJAGFDHLQYTCFC-JKSUJKDBSA-N	241.378	4.640	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@@]1(N)CCCC12CCCC2	2079865070	NYDNYWYZIUTUPZ-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@@H]1[C@H]2CCCCC[C@H]21	2081787359	VBKNQFWXRNGEOZ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@H]1[C@H]2CCCCC[C@H]21	2081787361	VBKNQFWXRNGEOZ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC[C@@H]1C[C@@H]1C1CC1	2081791070	BRDLMWUGJPYQFQ-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1NC1CC(CC)(CC)C1	2081944883	NWGMYYOSGYXGTG-UHFFFAOYSA-N	249.373	4.769	0	10	BJAE	
CCc1cc(F)ccc1NC[C@H]1CCC[C@@H](C)C1	2081946420	HFDHLKORNXSVNT-OLZOCXBDSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)[C@]2(C)CC=CCC2)C1	2082977822	BOXYSYDWIPAUCP-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC(C)(C)C1)C1CC=CC1	2082979398	NIBZOVWXVSFUPU-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC=C1CCCNC12CCCCC2	2083812001	HWELNEWRRRHXBY-UHFFFAOYSA-N	247.426	4.746	0	10	BJAE	
CC[C@@H](C)CC(=O)CCCCCCC1CC1	2210526646	HOWAMJPGZDGUHZ-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C/C=C/c1ccccc1	2210662701	SCZJFXZCEKEIJK-WWQFSPIMSA-N	214.352	4.916	0	10	BJAE	
CC[C@H]1C[C@H](CCCCCCC2CC2)CCN1	2213572909	BMQMAQBHZHDOKO-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccc(OCCCCC2CC2)cc1	2214585153	UAFUDTSTNAXYKZ-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
CC1(C[C@@]2(O)CCC[C@@H](C(C)(C)C)C2)CCC1	2216247186	JUTIBRHVKVFQDH-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)N(C)[C@@H]1CCC[C@H](C(C)(C)C)C1	2216257513	LUJVJVAHUIJUQX-DZGCQCFKSA-N	239.447	4.712	0	10	BJAE	
CCCCC(=O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216748287	UNJMDAOMYGRCQS-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCc2cc(C)ccc2N1	2217467507	FORUZVURLHRKMD-AWEZNQCLSA-N	231.383	4.548	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)CC=Cc1ccccc1	2219090156	JIFBAKWXRPHLQE-WBVHZDCISA-N	245.410	4.504	0	10	BJAE	
Cc1ccc([C@H](N)CC2(C)CC(C)(C)C2)c(C)c1	2221023179	ODMZDXWPVRYVOW-OAHLLOKOSA-N	245.410	4.520	0	10	BJAE	
C[C@H]1CCC[C@H]([C@H](N)CC2(C)CC3(CCC3)C2)C1	2221071426	JTNRRZKBDLLFFP-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C[C@]23CCC[C@@H]2C3)C1	2222264268	GNOLNKKZMBSCAL-MUIFIZLQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](NCC)c2ccoc2)CC1	2222306699	IOTLIONGZOBETH-DZKIICNBSA-N	249.398	4.537	0	10	BJAE	
Cc1sc(CC2CC(=C3CC3)C2)c(C)c1C	2242859678	WUPYYGWUNJNYOR-UHFFFAOYSA-N	232.392	4.716	0	10	BJAE	
CCC[C@@]1(CC2(C)CC(C)C2)CCCCCN1	2246522429	JOJXMYIBSZHZEA-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C2(C)CC=CC2)C1	2246658190	AEMYUMPGHASVPT-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@](C)(N)CC[C@H]1CCC[C@@H](C)C1	2246659727	KKNUXKXYNRSRBD-OAGGEKHMSA-N	239.447	4.891	0	10	BJAE	
CCCC(O)(CCC)c1cc2ccccc2s1	2246861531	WJVJJXUJTACGNW-UHFFFAOYSA-N	248.391	4.689	0	10	BJAE	
C[C@@H]([C@H](N)c1cc2ccccc2s1)C(C)(C)C	2246878097	QSYIKOGUKBOXCN-HZMBPMFUSA-N	247.407	4.583	0	10	BJAE	
CCC(C)(C)CCN(C)CCCC[C@H]1C[C@@H]1C	2247156946	BALMANMHAIIJJO-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@H]1CCC1(C)C)NC	2247306815	KTGAPYNICJNDQD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)CCCCC[C@@H]1C[C@@H]1C	2248809135	QFWIEJIQUSXUTB-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C(C)(C)C1CC1	2248838274	HRFSVJHCRQAXLY-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CN(C)CCCCC[C@H]1C[C@@H]1C	2248842492	QPALNVFQIKWMMG-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(O)CCCC1(C)C	2248869837	KDBPYPNCNSLZDI-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)C1=CCCCCC1	2250356571	RHIKHYJSPQYBPH-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1ccc2ccsc2c1	2253058715	DLCVMKRYSGQEAJ-HIFRSBDPSA-N	247.407	4.583	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1ccc2ccsc2c1	2253132045	DPPKLUCZJOJMGR-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
O=C(C[C@H]1C=CCCC1)C[C@@H]1CCCCC12CC2	2253798685	JJESTRRAFUZPLO-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
Cc1cccc2c1N[C@H](CC1(C)CCCC1)CC2	2253868773	VZQUNQZUFATJCE-HNNXBMFYSA-N	243.394	4.692	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H]1CNC2(CCCCC2)C1	2254503876	RLDFSLBBRTZFBG-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](O)CCCCC[C@@H]2C[C@H]2C)c1	2254541505	AFIPTAARRSWKEB-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(CC2=CCCCC2)C1	2255099250	IVUGTCFNTPLFNV-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCC[C@H](C)CC1	2256142183	PGYXTYBSNQESRZ-JSGCOSHPSA-N	249.373	4.769	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCCCC1(C)C	2256143896	HXXKEWLBOCEINT-AWEZNQCLSA-N	249.373	4.769	0	10	BJAE	
CCc1cccc(F)c1N[C@H](C)CCC=C(C)C	2256144276	LTWINNTVSWMKRF-CYBMUJFWSA-N	249.373	4.935	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC12CCCC1CCC2	2257363663	ZQSVEXIQKTWSTO-XNIRIUNOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCNC2(CC2)C1	2259615843	RSGCPLWITQEZEY-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CC(C(=O)[C@@]23CCCC[C@H]2CC3)C1	2260515860	JMZLEWNMVLGDOT-ICEJCHNJSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@]12CCCC[C@@H]1CC2	2260549947	QSNZSETYTJWOCO-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)[C@H](N)c1cccc(C2CCCC2)c1	2260726141	XOSRJNWNEXERLI-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CCC[C@@H]1CC1(C)C	2300496981	QFQXVKLZAUCZSB-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CCC(CC)CC	2300684346	SSPAOXICHWZMHP-JKSUJKDBSA-N	241.463	4.993	0	10	BJAE	
Fc1ccc(C(F)F)c(NC2CCCCC2)c1	2300826137	JKXJOZOGBWLHOI-UHFFFAOYSA-N	243.272	4.508	0	10	BJAE	
CC(=CC[C@@H]1C[C@@H](C)C[C@@H]1O)CCCC(C)C	2300862641	GQMGLWVQWVFBIH-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC=C(C)CC)CC1	2300869480	JEIZIACDOFSPGV-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC=CC[C@@H](NCC)c1csc2ccccc12	2300875240	SNPSFOYWHULABU-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)CC1CCCCCC1	2301142658	LGASNGAVUSDCCD-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1-c1nc([C@@H]2CC2(C)C)cs1	2301178950	DYEMFBJMMMCLKJ-LBPRGKRZSA-N	243.375	4.632	0	10	BJAE	
CC[C@](O)(CC1CCCCCC1)[C@H]1CC1(C)C	2301211561	SONUQMITUXWGFK-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CN[C@H]([C@H](C)CC(C)(C)C)[C@H](C)[C@H](C)C(C)C	2301824127	AKFCZJQRHZVCPO-KBUPBQIOSA-N	241.463	4.575	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@]1(O)CCCC(C)(C)CC1	2301865589	YFQNSDCLRFAYGM-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
C[C@](N)(CCCC1=CCCCC1)c1ccsc1	2302332906	ZBNFZSMAFYAFQB-HNNXBMFYSA-N	249.423	4.593	0	10	BJAE	
CC1(C)CCC[C@@H](CCC2(N)CCCCC2)C1	2302566703	WFJJMNMUPJAUJF-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC[C@@H]1C[C@H]1CC	2303611679	JIZIMIPBUKKOCZ-FPCVCCKLSA-N	240.431	4.780	0	10	BJAE	
CCCNCC1(C[C@H](CC)CCC)CC=CC1	2307899667	RFEPVGJIBWMJDT-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC(C)=CCC[C@@H](N)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309182290	NWDJTJHPSXSKSI-MWDXBVQZSA-N	249.442	4.667	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2CC[C@@H]3C[C@@H]3C2)C1	2310195747	SAYMBFPOIRUPNF-JPLDOALUSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2CC[C@@H]3C[C@H]23)CCCC1	2310925047	LPFDGXXBMWWSLT-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CC)C[C@H]1CC=CCC1	2310962722	OTCPNFWSZSKCBK-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C[C@H]2CCC[C@@H]3C[C@H]23)CC1	2311021219	LSROMUVOFCWPRY-DRXUAVOGSA-N	248.410	4.598	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@](N)(CCCCC1CC1)C2	2312408482	SMILTQWCDROYNV-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@]12CCC[C@@H]1CC2	2313292711	UXLSAIVCOXDWRZ-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)c1ccccc1C1CCC1	2313632578	JAIZGPUPGFFTAY-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](N)[C@]12CCCC[C@H]1CCC2	2313687317	WDSOQJBVHPRKST-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CCCc1ccccc1	2315895783	GDEVJAMPCZSBTL-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
CCC(CC)CC[C@](C)(N)c1ccc(C)c(C)c1	2316272916	ILHURFIHUPFDQP-KRWDZBQOSA-N	247.426	4.694	0	10	BJAE	
CNC[C@@]1(CC2CCCCCC2)CC=CC[C@@H]1C	2316936702	FXUIDBICVRDTGQ-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC12CC(C(=O)CC1CCCCCC1)C2	2317010186	MMZQYNLADXFZLP-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1[C@@]1(N)CCCCC12CCCCC2	2317086688	VAXLDSVTUIYGBG-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCn1c(C)cc2cc(F)ccc21	2317556834	VUFVDHARLMQWTR-CHWSQXEVSA-N	245.341	4.525	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C[C@@H]1CCNc2ccccc21	2317838309	ZTDJTMDLSJJECN-KKUMJFAQSA-N	245.410	4.904	0	10	BJAE	
CN[C@H](C[C@@H](C)[C@@H](C)C(C)C)c1cccc(C)c1	2317994114	GATVWDJOYHRTBL-HLLBOEOZSA-N	247.426	4.574	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1NCCCC1=CCCCC1	2318529465	QKVPKJVYEIPPKB-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC=C[C@@]1(O)CCCC1=CCCCC1	2318541808	USHMZAAXDPBLII-QGZVFWFLSA-N	248.410	4.764	0	10	BJAE	
Cc1cccc(NCC[C@@H]2CC[C@@H]2C2CC2)c1C	2319739410	TVDRHSGAMWQXBM-JKSUJKDBSA-N	243.394	4.542	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@](C)(N)C2CCCCC2)CC1	2320337012	JRWKZNAXHYUDGS-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)C2(C)CCCCC2)CC1	2320348480	QSVYPLMGYZQGLA-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CCc1ccc(NC[C@H]2CCC(C)=C(C)C2)cc1	2320420610	QPDCJXYJKLCWPM-INIZCTEOSA-N	243.394	4.797	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@H]2CC[C@H](C)C2)c1	2320573672	BEVSDZVEBIIGBK-UONOGXRCSA-N	244.378	4.819	0	10	BJAE	
C[C@H](N[C@H](CC1CC1)C1CC1)C1CCCCCC1	2320616545	KUHIXWXFXQBGLZ-SUMWQHHRSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C23CC(CC(C)C)(C2)C3)C1	2321588284	DSNSNWDFKKMIBP-OTBWCIGPSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCC(C)(C)C2)c(C)c1	2321597943	CAPKQLSEGUVHKC-OAHLLOKOSA-N	245.410	4.932	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)c1cc(C)ccc1C	2328283055	UHDKVPLJRWIZQM-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CCCCCCN[C@H](CC)c1ccc(C)cc1	21063235	GFGCJALFSBYBQA-MRXNPFEDSA-N	233.399	4.616	0	10	BJAE	
CCc1ccc(NC2CCC(CC)CC2)cc1	21793073	ROZJTTUCYSWRMJ-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CCC[C@H](C)[C@@H](N)c1ccc([C@@H](C)CC)cc1	21815751	URWHRMUQYGIBLM-HEHGZKQESA-N	233.399	4.636	0	10	BJAE	
CCN[C@@H](c1ccc([C@H](C)CC)cc1)C(C)(C)C	35544106	IDTHLZCUUUEFKK-CJNGLKHVSA-N	247.426	4.897	0	10	BJAE	
CCCN[C@@H](CCC)c1ccc(C(C)(C)C)cc1	35582257	JVRREBNTOUXNJL-INIZCTEOSA-N	247.426	4.825	0	10	BJAE	
CCCC[C@@H](C)N[C@H]1CCCC[C@@H]1C(C)(C)C	37271873	IRYFWHJQRQSFMZ-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2C[C@H]2C)c(C(C)C)c1	37357232	JBRRJHUZHJDQQE-WBMJQRKESA-N	244.378	4.772	0	10	BJAE	
CC(C)CC[C@H]1C[C@H](c2ccccc2)CCC1=O	44468976	CIAKSJKHEWEKQB-CVEARBPZSA-N	244.378	4.576	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(C)cc1	71126042	WJQIRFZUXKTATC-CQSZACIVSA-N	219.372	4.623	0	10	BJAE	
CCCCCn1ccc2cc(C(C)C)ccc21	75232804	DQUSCEDWSHZFIP-UHFFFAOYSA-N	229.367	4.955	0	10	BJAE	
CCC[C@@H](CC[C@H]1CCCC[C@@H]1CC)NCC	80410866	FLTDIMLNRPXYEU-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCCCCC1(O)CCC(CCC)CC1	83502561	BCMXHGBKDZCEGY-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC[C@@H](C)C[C@@H]1C	85097355	CQCUVIYWTQSFNJ-YCPHGPKFSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@@H](CC)CC1=C[C@H](N)CC(C)(C)C1	87322950	ZTAWMAOBBVCTPF-HIFRSBDPSA-N	237.431	4.667	0	10	BJAE	
c1ccc(NCc2cc3sccc3s2)cc1	87794798	DXVYPJVIYNFLNX-UHFFFAOYSA-N	245.372	4.575	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)CCNC(C)C	87950355	GHOJDMRSLZZLKY-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2cccc(C)c2C)C1	87984619	PJYSTQQUFIRQMT-CABCVRRESA-N	244.378	4.703	0	10	BJAE	
CC(C)NC[C@H](CCC(C)(C)C)c1ccccc1	88098244	OARQXHSSCYWTTA-INIZCTEOSA-N	247.426	4.595	0	10	BJAE	
CCCCCNC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	94544386	XOSJSUJNARTUOK-HPZPOOBXSA-N	249.442	4.515	0	10	BJAE	
CC(=O)CC[C@@H](C)c1cc(C(C)(C)C)ccc1C	107599520	XWPNOGXQLVQYGU-GFCCVEGCSA-N	246.394	4.765	0	10	BJAE	
CCCCC[C@H]1C[C@H](c2ccccc2)CC[C@@H]1O	110463809	HQGFRDWBCZPMLW-IKGGRYGDSA-N	246.394	4.512	0	10	BJAE	
CC(C)[C@@H](N[C@H](C)C1CCCC1)c1ccccc1	112405943	QNWJMISTIREDMR-RHSMWYFYSA-N	245.410	4.552	0	10	BJAE	
CCC(CC)CN[C@@H]1CC[C@H](C)c2ccccc21	124841889	JBBZGCAKHZOJHT-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CC(C)(C)c1ccccc1[C@@H](O)C1=CCCCC1	132851608	DOONKVVUHFVHFL-INIZCTEOSA-N	244.378	4.518	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@H](C)C1CCCCCC1	150057292	FHWALONHWKNCOX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)CNc1c(C)cccc1N	158585486	FWRWLMBFJLYXBD-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C[C@H](C)CC	162455435	FGQOAUUBHWUYIZ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)c1ccc(C)cc1C	166775104	YNMRQUFMFQQURQ-USXIJHARSA-N	245.410	4.520	0	10	BJAE	
CCC(=O)c1ccc(-c2cccc(CC)c2)cc1	168251500	IANMLUNDOKOOQE-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
c1ccc(NC2CCCCCCCC2)cc1	168729936	FALFGAQHCMAEKQ-UHFFFAOYSA-N	217.356	4.602	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)C1=CCCCC1	211886098	YRVCPIKDBSFGQH-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCC[C@@H](CC)CC1	226512517	FPTMIWZCFQFPKN-XHSDSOJGSA-N	239.447	4.904	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H](CC)CCC)CC1	226538115	QLTIABSIHFPQCC-BZUAXINKSA-N	239.447	4.904	0	10	BJAE	
CNC/C(=C\[C@@H]1CCC[C@@H](C)C1)C1CCCCC1	228120357	SKUQORXFEMYKHN-DYNPQAPLSA-N	249.442	4.539	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H]1CCC[C@@H](C)C1)CC(C)(C)C	229453820	PPZRBPWXRTTXJI-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H]1CCC12CCCCC2	230172312	ZVNZEULVGOFSEQ-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@@H](c1cccc(C)c1)[C@H](C)CCC	233085369	LMDGOXYOHDCEIQ-NVXWUHKLSA-N	247.426	4.514	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@H]1Nc1ccccc1Cl	235591628	KMZLRWGDBGNJGZ-GXFFZTMASA-N	237.774	4.577	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@H]1C[C@H](C)CCC	251402817	ZWIFAEZXIVFJTD-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	252897098	CRNCLFQUKQASJN-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C[C@H](C)CC(C)(C)C	253015597	AFVKIXGYUPGQAF-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@H](C)C2)c1Cl	300838498	DTKFWVXJZXRZAU-CMPLNLGQSA-N	237.774	4.639	0	10	BJAE	
CC(C)c1ccc(NCCC2CCCC2)cc1	302250862	KTRNZAXTQZVFSF-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cc(CC)ccc1CC	302429971	SAUVXCHXMYCOPU-DYVFJYSZSA-N	248.410	4.671	0	10	BJAE	
Cc1ccc(C(=O)C[C@H](C)CC(C)C)c(C)c1	304165166	IYUDFULTOKEYFB-CYBMUJFWSA-N	232.367	4.558	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H](C)C(C)(C)C	304241033	DFZMIVHCOFISIR-IHRRRGAJSA-N	228.420	4.636	0	10	BJAE	
Cc1cc2cc(C(F)F)c(Cl)cc2s1	306626535	YXUGEGZFIFETFZ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@@H]1CCC[C@H](C)C1	308032816	PWDRHQWDDSCFDK-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CCc1ccc(C(=O)[C@@H](CC)CC(C)C)cc1	308101287	FPHJTUDCDWYUFC-AWEZNQCLSA-N	232.367	4.504	0	10	BJAE	
C[C@@H](C[C@H](N)C[C@H]1CCC[C@@H](C)C1)C(C)(C)C	310103537	CFMZRJBYEJLSEC-QPSCCSFWSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC[C@H]1C)C1CCCCC1	310242663	ITXKKNCWVMNYSG-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H](C)C2CCCCC2)CC1	310375333	ZMGWIZKAMNGSNX-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C1CCC(CN)([C@H]2C=CCCC2)CC1	310742638	HTYDYIKRFYPAJK-CKDBGZEDSA-N	249.442	4.524	0	10	BJAE	
c1cc(N[C@@H]2CCCC23CCCCC3)cs1	313016808	UVZMJMYIRPMXBJ-CYBMUJFWSA-N	235.396	4.663	0	10	BJAE	
CCC[C@](O)(C1=CCCCCC1)C1CCCC1	313463299	JKFAZSKXLDPJJC-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCCC2)CC[C@H](CC)C1	318427908	LSKUNIOHKXNDSC-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)c2ccc(C)c(C)c2)CC1	328425455	CCTSSPJTKUHAPP-ZOBUZTSGSA-N	246.394	4.553	0	10	BJAE	
CCc1ccccc1NC[C@H](C)C1CCCCC1	380941446	MFJGZRUBLXCGTM-AWEZNQCLSA-N	245.410	4.877	0	10	BJAE	
CCC1(COc2cc(C)ccc2Cl)CCC1	381534592	GDVXGTWVQNWDCN-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@H]1CCC[C@H](C)C1	382678464	DBTYFOWTUQAALT-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCCC[C@@H]1C	383188756	OKOWSDKANPFEDJ-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@H](C)C1CCCCC1)NC	383577353	DLKBKQNJWCDBGS-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C(=O)C[C@H]2CCC[C@@H](C)C2)CC1	383610655	SNFNCXMJIRRIGT-FUUBYGMNSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2CCC[C@@H](C)C2)CC1	383617011	UOEMYPYEHWSKJR-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C(C)(C)C(C)(C)C)C[C@H]1C	383856056	MZBFOKNRFFXROY-JHJVBQTASA-N	238.415	4.700	0	10	BJAE	
CCC(CC)(CNC1CC1)CC1(C)CCCC1	384055968	XKGKSVZFDNKBEP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccccc1[C@@H](O)CC1CCCCC1	384408942	DTXRKNYQLHWGOU-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CCCN[C@@H](c1ccccc1CCC)[C@@H](C)CC	384485358	CRKOAYOTMHXANS-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CC[C@H](NCCC(C)(C)C1CC1)c1ccccc1	385539143	TZNVKBGPMTVKFL-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCc1c(C(C)(C)C)[nH]c2cc(C)cc(C)c12	395654797	NTVJADVAKGJBCZ-UHFFFAOYSA-N	229.367	4.645	0	10	BJAE	
CCc1c(C(F)(F)F)cc2ccsc2c1F	396290241	BAFGXSGGVBQNLM-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1ccc2cc(C(F)(F)F)sc2c1F	396291361	CQBPZXQHTDKXHA-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCC[C@@H](NCCC1=CCCCC1)[C@@H]1CC1(C)C	397605895	BAXPBNBJRBDMBX-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1ccc(F)cc1C	401837902	OPCZIMOTNVROEW-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CCCN[C@@H](CCCC(F)F)CC(C)(C)CC	688860723	XLONUVUTHUITBA-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCN[C@H](CC(C)(C)C)c1cccc(C(C)C)c1	688952393	XBZLJGRPJUJDSI-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CCSc1cccc(N[C@H]2CCC[C@H]2CC)c1	689700979	DTVRVHWACOENGL-DOMZBBRYSA-N	249.423	4.789	0	10	BJAE	
CC[C@]1(C[C@@H]2CC3CCC2CC3)CCCCCN1	691776365	LLWBUJWEHLXEKD-SJJHQCBESA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCNc1cccc(Cl)c1C	696752504	QNYRRXJTJBFNPR-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CCCc1ccccc1OCCC1CCCC1	699489547	ISXGJNYQGACPBU-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@]1(C)CC1(C)C	702187381	PRSYJJTUVUBXSH-SWLSCSKDSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(N)CCC(C)(C)C)C1	704856323	RXZDOGICGGFMEY-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](N)(CC)C1CCCC1	704916275	VRQGOWZIVSRPMF-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](c1ccccc1C)[C@H](C)CC(C)(C)C	708254279	JNQNXTMHAQPOGK-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)[C@@]12CCCC[C@@H]1C2	709097737	RVASJZXLXHFJTN-ZOWXZIJZSA-N	249.785	4.721	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(O)CCCCC[C@H]2C)C1	709195457	RJQMAFVFTIWALS-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)Nc1cc(Cl)c(C)c(Cl)c1	709842974	BZPWNJYJYHFPSC-MRVPVSSYSA-N	246.181	4.902	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H]1CC=CCC1)C(C)(C)C	711115202	ZAGBWZVNNXZKOK-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
CCCCCC[C@@H](C)NCCCC1CCC1	711161048	YBSYMDHVDUXMLJ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)C(C)(C)C)C1CCC1	711185712	UVVORELSSNXYHC-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@](O)(CC)Cc1ccccc1	711245563	LHVLTQHLPHXSTM-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
CC(C)CC[C@H](N)C1CC(C)(C)CC(C)(C)C1	711252258	XHPUPYSUJQXTBQ-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)CCC(C)(C)CC	711281196	YLKPPKWEIKMWFV-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(O)CCCC(C)(C)C	713032112	PAWGWMMHCQUNJX-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(O)CC(C)(C)CC[C@H]1C	713259829	VKCRZGIQMPVVJC-CZUORRHYSA-N	240.431	4.636	0	10	BJAE	
O=C(c1ccsc1)[C@@H]1CCC[C@H]2CCCC[C@H]21	714433412	KLGGPBHFKMNLFC-MRVWCRGKSA-N	248.391	4.537	0	10	BJAE	
CC(C)=C(C)CCC[C@@H]1CCCC1(F)F	718722463	MZGIDRRZXYZCCN-GFCCVEGCSA-N	216.315	4.948	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@H]1CC1(C)C	722631326	RDKDRFORGBFCSR-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1ccc(C(C)(C)C)cc1	723128089	KULMVDRRYWGVBY-TZMCWYRMSA-N	244.378	4.603	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@H](C1CCCCC1)C1CC1	723984649	XUXPFXWYUSMDMM-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](S[C@H](C)c2ccc(F)cc2)C1	1458932641	APLKDMJAAVACOG-GYSYKLTISA-N	238.371	4.809	0	10	BJAE	
CC1=CCCCCC(=O)C[C@@H](c2ccccc2)C1	1534905434	IQVLHFRCERRWLV-INIZCTEOSA-N	242.362	4.640	0	10	BJAE	biogenic
C=C/C=C/CCS[C@@H](C)c1ccc(F)cc1	1559365903	BJMCMTOLTFHIDD-ITKZLYELSA-N	236.355	4.752	0	10	BJAE	
CCC(C)(C)CCN(C)C[C@H](C)c1ccccc1	1559523424	QVGSODJBYLVILM-HNNXBMFYSA-N	247.426	4.548	0	10	BJAE	
C=C/C=C\CCOc1cccc(Cl)c1Cl	1656054130	XLXKYMIFAXGMIR-ARJAWSKDSA-N	243.133	4.505	0	10	BJAE	
CCC[C@@H]1CCCN1CCC1CCCCCC1	1656383982	BRJPBNIKHKSXPL-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)c1ccsc1	1900695593	DXZVCKJNLBWUAA-AWEZNQCLSA-N	239.428	4.615	0	10	BJAE	
CC=CC[C@H](CC[C@H](C)CCCC)NCC	1900848412	KFWYBILETPICEC-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CC1CCCCCC1	1901109990	FLXRWPMCXCPXQR-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
C=CC=CCCc1c(Cl)cccc1Cl	1905143376	QHSQUQFOBKYNDO-UHFFFAOYSA-N	227.134	4.668	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CCCC(C)C)NC	1905398690	PLNWPLNMQFVVNO-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC[C@@H](CC)CCC)NCC	1905455241	YSPPYJATHYUNJT-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
C[C@H](CC(=O)CC[C@@]12CCC[C@@H]1C2)C(C)(C)C	1908423598	DCOMRFLNQPPGCM-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@]1(N)CCCCCC1(C)C	1908571352	JCAOKYMOFXHILM-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C[C@@H]1C[C@H]1C)NCC	1909595262	URXRWPPOVVKNJL-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC1(CN)CC2(CCCCC2)C1	1912584783	LECJIPVAORVDHU-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
Cc1c(Cl)cccc1CC[C@H]1C=CCCC1	1913217831	TULAMWJTCKYPNL-ZDUSSCGKSA-N	234.770	4.937	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(O)CCC2(CCCC2)C1	1916431406	RWVWHFURSLFGIM-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](O)(CC)c1ccc(CC)cc1	1919610069	CLNQHVYLOFIWSE-QGZVFWFLSA-N	248.410	4.817	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)CCCCC12CCCC2	1921566066	ZVJTUOYHSAYWQN-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCNC[C@@H]1CCCC[C@H]1C[C@@H]1C=CCCCC1	1925890356	DWZDLWPZSVJGDI-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC(C)CC[C@](C)(N)CC1(C)CCCCC1	1935623303	PMVJPHUIRRBJJE-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@H](C)[C@@H](C)CC	1940795437	GMDSABAQBQAPNA-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(CCCC2(C)CC2)C1	1940870593	VDJWFCQBKGKMQO-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@H](CCC)C(C)C	1941273381	QVEVYRKMYLJXPJ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCc1ccccc1NCc1cscc1C	1941467884	JYTDCNVDGBUREU-UHFFFAOYSA-N	245.391	4.621	0	10	BJAE	
O[C@H](CCCCCC1CC1)CC1=CCCCC1	1941577833	SHMZDYHKOHVMPY-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)[C@@H](C)CCC(C)C	1942654298	ZHPLJBFKSVOJRD-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CCCCCC1(C)C	1942655264	HOQPBWSGMCFTHL-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](C)CCC(C)C)c(C)c1	1942661185	MUXIHVDTCVORQK-ZDUSSCGKSA-N	232.367	4.558	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H]([C@H](C)CCC(C)C)C1	1942661956	OYCDUQLPIOHRFJ-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Cn1ccc2c(Cl)cccc21	1944799318	MPKAUZFFFCBALT-VXGBXAGGSA-N	247.769	4.731	0	10	BJAE	
CCC1(C)CC([C@@H](N)CCCCCC(C)C)C1	1948411233	NQIURTFKHJUZNE-PCKAHOCUSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)C1(C)CCCCCC1	1949081264	JEGBPSAVXFOFGU-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC1CC2(CCC2)C1	1949841095	ALPUBKQRAVFBRA-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)CCCC(C)C	1968309621	NOZVFCZZYUTUBL-KGLIPLIRSA-N	227.436	4.616	0	10	BJAE	
Cc1cc(F)cc(NCC2CCC3(CC2)CC3)c1	1968588519	AMXYPEKZPFCIMS-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CCCC1CCC(CN(C)[C@H](C)CCC)CC1	1968854221	OYECRLCORQOXNV-QQFBHYJXSA-N	239.447	4.713	0	10	BJAE	
CC1(C)CCC[C@H](NC2(C3CCCCC3)CC2)C1	1970596260	USKVVOWUGBNSSM-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CCC1(CN[C@H](C)CCCC(C)C)CCCC1	1971014773	NVENTHLJMNZLDH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)CC(=O)c1cccc(Cl)c1	1980684360	FYZDSSCVCVDDDR-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CCC(CC)C1(O)CCC(CC)(CC)CC1	1981066068	QHCOPDZFKKOZHC-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
C/C=C/CCCC[C@@H](O)c1cccc(Cl)c1	1984607860	RAWSOYHCJPZKAX-BAABZTOOSA-N	238.758	4.510	0	10	BJAE	
CC(C)(C)C1(CC(=O)c2cccs2)CCC1	1989446354	PAVPSQFOGZRGKO-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
CCC[C@H](O)CC[C@H]1CC[C@H](CCC)CC1	1989807757	MWWUNGJJIANYBM-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)NC[C@H]1CCC[C@@H](CC)CC1	1997099798	ILPVIFSCIGULGG-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CC1CC([C@H](C)Nc2cccc3ccsc23)C1	1998658252	QEEQMPKCQBPYSQ-AKJDGMEZSA-N	245.391	4.748	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)C2CCCCCC2)C1	2000181240	FPAPRAFNEWLLHI-IUODEOHRSA-N	234.383	4.518	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC2(C)CCCC2)C1	2000182727	SPHCZWVQZRCSPJ-JSGCOSHPSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)[C@@H]1CCC(C)(C)C1	2000324813	WRYKAUXFRWXREU-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1CCCC1)C(CC)(CC)CC	2000391439	XDRDMQCNEARTRK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@@]1(O)CCCCC12CCCCC2	2001604290	QPHCBHBNOFTLIS-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1[C@H]2CCCC[C@H]21	2002221485	JWXPQOSQOJOQGE-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CN(C)[C@H](C)[C@@H]1CCC[C@H](C)C1	2002977319	WYHPJALFOGWHQU-SQWLQELKSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@H]1CCCCCCC[C@H]1NCC	2003116236	HRYMXYJWFFDTGG-JKSUJKDBSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](CC2(C)CCCCC2)C1	2006665527	JQMKBXVRLYXATK-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1CC(CC)C1)NC	2007748689	FZFASNRBKJDKPU-FJBKBRRZSA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@H]2CCC(C)(C)CCC2=O)CC1	2009403637	DZABXLZGMWITHR-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2CCC[C@H](C)C2)CC1	2009412104	VNGWOLFOROJAGO-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@]1(N)CCCCC12CCCC2	2009568518	DQMSRSPBBJRONX-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC=CCCCC1(O)CCCCCCCCC1	2009592836	LPHWWWIVYRLWLT-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1CC[C@](C)(C(=O)CCC2(C)CC2)C1(C)C	2009604687	JSWGLHIGEMQHBK-BLLLJJGKSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(Cl)c1NCC[C@@]12CCC[C@H]1C2	2010994281	FAZZDNUOOLGLEY-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CC/C=C\CN[C@H](C)C1CCC(CCC)CC1	2011037139	VFSVIZJZCZHCCV-AMNOJGRSSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](O)C1(C)CCC(C)(C)CC1	2015280331	FAOUCWOZRMFGQE-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)CCC(C(C)C)C(C)C	2015332712	AAXVDUASUHCHCX-HOCLYGCPSA-N	242.447	4.738	0	10	BJAE	
CC(C)C(CC[C@@](C)(O)C1(C)CCC1)C(C)C	2015336839	SWCZDFYHFSTDLA-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@H](C)NCCC(C(C)C)C(C)C	2015360761	LNOOMDBCNVIJNS-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCC1(C(=O)CCC(C(C)C)C(C)C)CCC1	2015390748	PXYRMBJBKDPHRB-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
c1cc(NC[C@@H]2CC23CCC3)c2sccc2c1	2015530336	OYPKZDZPXFHVEP-LBPRGKRZSA-N	243.375	4.503	0	10	BJAE	
CCC1(C[C@](C)(O)[C@@H]2CCC[C@@H](C)C2)CCC1	2015589720	YOCBOBJKQISQBX-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)C1CCCCC1	2016149206	HAZJKNYENUVJLZ-HUUCEWRRSA-N	237.431	4.680	0	10	BJAE	
CC(C)CC1(C(=O)C[C@]2(C)C[C@H]2C)CCCC1	2016442460	NQWGUFQLCHBDKT-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
CC1(CC(=O)C2(C(C)(C)C)CCC2)CCCC1	2017133787	XCQDSZYNXGAALL-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC1(C(C)C)CCC1)C(C)(C)C	2017141372	OQSVLVVGLOGDLX-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC[C@H]1CC[C@H](CC)CC1)NCC	2017722956	RQLSISMNKWKFPW-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(C[C@H]2CCCC(=O)[C@H]2C)CC1	2017775053	XAFVEZBCGPELLB-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CC1CC(C(C)(C)C)C1	2017792477	APBGEUJNVLNCNK-ZUEPYMLJSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1[C@@H](C)CCC[C@H]1C	2018074071	FIFQMZIZJYADBP-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)N(C)CC(C)(C)C(C)(F)F	2018180811	AVCCXOZBBLKMKX-GFCCVEGCSA-N	249.389	4.568	0	10	BJAE	
CCCC1(C[C@](C)(CC)CNCC(C)C)CC1	2018985866	UEVBVHNFAWVHAI-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@](C)(O)CCC[C@@H]1CC1(F)F	2019564976	AYCLKNOUMPOQDK-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2CCCCC(=O)C2)C1	2024091950	MNSBHSCCZUTKNI-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
Cc1cccn1CC1CC(C)(C)CC(C)(C)C1	2024092341	QGIFDWOQRQSBRF-UHFFFAOYSA-N	233.399	4.649	0	10	BJAE	
CCC(CC)(CNC)C[C@H]1CCCC(C)(C)C1	2024094342	JHUWUADHPVXNDS-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(C)CCN1CCC(C2CCCC2)CC1	2027027085	HEZZJMJLDFQPAU-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CCC[C@@H]32)CC1	2027339166	ACFHPVLNJRYLAQ-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1[C@@H](CCCC(C)C)NC	2027902686	BTFWBXKOZABQIG-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
N[C@@H](CC1CCCCC1)c1ccccc1C1CC1	2028553298	XROLBCULMSSYMA-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CCNC[C@@]1(CC2CCC=CCC2)CCC[C@@H]1C	2028873929	JANFINSOBLGFAQ-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc(C(=O)C(C)(C)C2CCCCC2)o1	2032295971	LRFCKSQXEQUICC-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
CC1CCC(C2(N)CC(C3CCCCC3)C2)CC1	2033783614	MPCLZNKJCAUVDY-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1N[C@@H]1CCC12CCCCC2	2035496469	QUKBKSZJNNUDMT-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC(N[C@@H]2C[C@@H]3CCCC[C@@]3(C)C2)C1	2036659612	DAQZYUKIBRSJAE-RRLIJXGGSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCCCN(C[C@H]2C=CCCCC2)C1	2036777800	BGLZRLGYGHYGPW-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
C=CC=CCC[C@](C)(N)c1ccc(C(C)C)cc1	2037132458	ZQJRJEUPVKCZRN-KRWDZBQOSA-N	243.394	4.506	0	10	BJAE	
N[C@@]1(C[C@@H]2C=CCCCC2)CCC2(CCCC2)C1	2037271363	BFZGRPGPMLAQKO-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CCC[C@](N)(C1CCC1)[C@H]1CCC2(CCCC2)C1	2037595025	QOCFLSMTWFGLQK-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2CC3(CCC3)C2)CC1	2038090918	WRQOFZDVVLOXFA-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cccc2c1CCCC2	2038353609	GOZKJAVCBGPGHU-HNNXBMFYSA-N	243.394	4.556	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCC[C@@H](C)CC2)c(C)c1	2039376381	RKTZNKGBYALLIL-IUODEOHRSA-N	244.378	4.703	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]21)C1(C)CCCCC1	2039860663	XNWYACVPTDVFOF-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@]1(C)NC[C@H]1CC12CCCCC2	2041737038	RGZMLZZEURWTBB-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@H]1C=CCCC1	2043186205	CLDQYXZHWHOBBC-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
NC[C@@H]1CCCCC[C@H]1C[C@@H]1CCC=CCCC1	2045328664	GYCQEUMOSXGZRC-IKGGRYGDSA-N	249.442	4.668	0	10	BJAE	
C[C@H]([C@@H]1CCCC(C)(C)C1)[C@@H](O)c1ccccc1	2045370745	KWAUQLBTTYWNNR-FVQBIDKESA-N	246.394	4.573	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)[C@]23CCCC[C@H]2C3)C1	2045381904	OYJISVNWKOMDOP-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1CCCC1)CC1[C@H]2CCCCC[C@H]12	2048447278	STRBRDCXUHMPDK-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC[C@]1(C)C=CCCC1)[C@H]1CCC[C@@H](C)C1	2049532295	JYDMLQPBFGIBFI-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2nc([C@H]3CCCC(C)(C)C3)[nH]c2c1	2049574835	SZVAXKJAIZVLSG-LBPRGKRZSA-N	242.366	4.555	0	10	BJAE	
CCCC1CC([C@H](N)CC2CCC3(CC2)CC3)C1	2049854008	GNTDONKNNFFRRQ-UYSNPLJNSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CCC(NC[C@@]2(C)C=CCC2)CC1	2049978759	IFAJUNDLBKPBTO-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NC[C@]1(C)C=CCC1)C1CCC(C)(C)CC1	2049986096	FPFVCQUHSSJEMA-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@@H](O)C[C@H]2CCCC(C)(C)C2)c1	2050431879	SNEPJXVIFIPDKA-ZBFHGGJFSA-N	246.394	4.635	0	10	BJAE	
CCC[C@H](C)CC[C@H](NCC)c1cccc(C)c1	2050456534	RNDGQBCOQJGDCM-YOEHRIQHSA-N	247.426	4.862	0	10	BJAE	
CN[C@@H](CC1=CCCCCC1)c1cccc(C)c1	2050460700	LVVGOLHFOUZOMI-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCC1(C)CCC(N[C@H](C)c2ccc(C)o2)CC1	2051588307	FYNDLMCNVOJFPE-VQCLRJIVSA-N	249.398	4.598	0	10	BJAE	
CNC[C@@]1(CCC2CCCC2)CCCCC12CC2	2053357676	ILYMXGQVLVTUIR-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)NC[C@]1(CC2CC2)CCCCC12CC2	2053362731	YKMBOYYIIWTNQM-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](N)[C@H]2CCCCC23CC3)CC1	2053416768	VJVSBHMEDFZHQX-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CCCC[C@H]2F)cc1	2055159481	MBVHJECSNIWWCP-HUUCEWRRSA-N	249.373	4.677	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@H]2CCCC3(CC3)C2)CCC1	2055606796	FYTGBNRAHJKWKZ-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC(C)C1CC(CC(=O)CC23CCC(CC2)C3)C1	2056668954	CPIDPSUODYJZSY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C[C@H](C)C1CC1	2056880151	ZWGZZSXFWBHCBM-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1(C2CC2)CCCC1	2057593400	CPANNVBFANIHQA-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)c1ccc(C)cc1	2059249550	IODDCTJBJRYJFO-UKINESCASA-N	245.410	4.782	0	10	BJAE	
CCCCC1CC(N)(CC2[C@@H]3CCCCC[C@@H]23)C1	2059494961	GQFKFRAFQVIMDR-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CCc1c(C(F)F)cc(C)cc1C(F)(F)F	2060347639	JNSFOMMNAQPTGO-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
C[C@@H]1CC=C([C@@]2(O)CCCCC23CCCC3)CC1	2060918383	MTOBTPJCEOQXHK-PBHICJAKSA-N	248.410	4.598	0	10	BJAE	
CC1CCC([C@H](N)C2=CC[C@@H](C(C)C)CC2)CC1	2061087736	HTQRAFPOKNZPQC-BJDYSFLHSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C1=CCC(C)(C)CC1	2061111920	AIZWLLMVEQJJNW-KBMXLJTQSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC1CC(=C2CCC2)C1)[C@@H](C)C(C)C	2061736780	KIKSJIWXXAIYEU-SUMWQHHRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]([C@H]2CCC3(CCCC3)C2)C[C@@H](N)C1	2063637400	DQLKVNGDYRZUGX-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(CCNC23CCCC2CCC3)CC1	2063906843	ZBJLRSGWHFSVBQ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC23CCC(CC2)C3)CC1	2065274668	KVIURKPNDDBFNC-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
CC1([C@H](N)CC23CCC(CC2)CC3)CCCCC1	2065276811	HWIYOOFTRVPSGY-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)CC12CCC(CC1)C2	2065301539	XDTMCOZTDXVUEI-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc([C@@](C)(O)C2(C)CCCC2)c1	2067512319	VWIKQIZSJULBGA-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCCCC2)CCC1(C)C	2068241189	AZLLZKMLTRRIHK-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC=CCCC[C@H](NCC)C1(CC2CC2)CCC1	2069522939	CWJQNUAZAJKCAL-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(NC[C@H]2CCC=CCCC2)CCC1	2071890849	UIMJTENBEVHNDE-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CCC1	2071926775	TWPXKGDPGMRWSD-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@@H]2C=CCCCC2)CCC1	2071933757	NRABDSPWMZLPBI-HUUCEWRRSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N1CCC[C@@H]1C1CCCCCC1	2071968700	JKBVBCYMGKMRQL-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@@H]2CC23CCCC3)C1	2072608924	SHCDKPSRJYKUJX-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)c2ccc(CC)o2)CC1	2072697738	WJQSVOCHTAKUPU-JOCQHMNTSA-N	248.366	4.631	0	10	BJAE	
CCC1CCC(CC2CCC3(CC2)C[C@@H]3N)CC1	2072821452	MCNIEIBSBLZWCT-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(C)[C@H]2CCCNC2)CC1	2072822265	SNRWATPXFDCNCG-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC1CCC(N2CCCC[C@H]2C2CCCC2)CC1	2075114848	RMRNRHQLWLCYIN-PREGVCBESA-N	249.442	4.610	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1	2076585791	JJUMOQXQGVWFLN-BFYDXBDKSA-N	249.442	4.610	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CC[C@H]3C[C@@H]3C2)c1	2077262669	XIAAHIYHKNITOA-RRFJBIMHSA-N	241.378	4.555	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1C[C@H]1C1CCCCCC1	2079528411	KQCULCARIJTGPG-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2C[C@@H]2C2CCCC2)c1	2079640102	LDZWESWSMAZYHS-JKSUJKDBSA-N	243.394	4.542	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2C[C@H]2C2CCCC2)CC1	2079659898	JHYDVNOHCUGVBN-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC1C[C@@H]2CCC[C@H]2C1	2081790703	YPTOKVFLIPDLIH-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCc1ccccc1OC[C@@H]1CCCC(C)(C)C1	2082975875	MRTWWGURTBFOPM-CQSZACIVSA-N	246.394	4.844	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC(C)(C)C2(C)C)cc1	2084371839	ROYJLUNNTVFIJZ-OAHLLOKOSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](N)C1CCCCC1	2214779684	YUQBWNZSUBPVBA-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@](C)(N)CC1CCCCC1	2215258380	XTTPCCMATKMSQE-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2CCCCCC2)C1	2215440397	QNONNEAUXYYHMI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)[C@@]1(C)CC=C(C)CC1	2215809208	IJKUXSMCVALZAL-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@H](CCC(C)(C)C)CC(C)C	2217152322	CWQFSFDLIKHDPO-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)=CC[C@H]1CCCN(CC2(C)CCCC2)C1	2218144683	UHWRTLCKDMXLRA-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218321497	FDQRJJXFCVKKOQ-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CCC[C@H](C2)C1)[C@@H]1CC=CCC1	2218331574	JYHIJWGDLTTZCQ-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
CCCC(CCC)C(=O)CC=Cc1ccccc1	2219082617	OKXDPICUDUSZHE-UHFFFAOYSA-N	244.378	4.875	0	10	BJAE	
CCCCC[C@](N)(CC)CC=Cc1ccccc1	2219085724	AAVWLTGRZIPVKJ-QGZVFWFLSA-N	245.410	4.778	0	10	BJAE	
N[C@]1(CCCCC2CC2)CCC[C@H]2CCCC[C@@H]21	2220028786	WCSLEDOEQUUKHF-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1ccnc(C(C)C)c1	2220857402	WWXOYUXETXEHSN-ZDUSSCGKSA-N	247.382	4.604	0	10	BJAE	
CC[C@](N)(CC1(C)CC2(CCC2)C1)[C@H]1CC1(C)C	2221017759	WJULRSPSKZQEDO-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
C(CCC[C@@H]1CCCCC12CNC2)CCC1CC1	2221540547	KUJZDEYIPLMINC-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@H]2C[C@H]2C(C)(C)C)CC1	2221612997	BQODVVZQVBJHCB-ANQUJSFKSA-N	249.442	4.523	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H](C)c1ccc(C)cc1	2223963137	DMPRUTOKUFLRIC-AWEZNQCLSA-N	246.394	4.884	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@H](C)C(C)(C)C)N2	2224125515	QELVFXJKBSBLAY-DZGCQCFKSA-N	245.410	4.794	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1(C)CC(C)C1)NC	2246586547	RHFDLHOGJFBAOT-PWUWZPNHSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)CC[C@H]1CCC[C@H](C)C1	2246679472	NWYNLZHFRDQJLN-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)NCC[C@@H]1CCCC12CC2	2247603964	YCNGIYANIUIWFJ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@@H](N)c2csc(C3CC3)c2)CCC1	2248044130	HMGOIYKPBJLMMK-CYBMUJFWSA-N	249.423	4.596	0	10	BJAE	
CC[C@@H]1CCC[C@H](CCCCC[C@@H]2C[C@@H]2C)N1	2248842113	PRAFPZMELNCFKK-JJXSEGSLSA-N	237.431	4.514	0	10	BJAE	
CC1(CCNc2cccc(C(C)(C)C)c2)CC1	2249260467	VGWLKTWWWYJGEP-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@H]1CCC=CCCC1	2250354038	ZTBOLIIZDXNKNQ-PMPSAXMXSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)C1=CC[C@@H](CC)CC1	2250361517	NKYSADJFPKOYAP-IJEWVQPXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)CN[C@@H]1CCC12CCCCC2	2250377698	HDBAHQUPUPBVMY-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@H](C)C1CCCCC1	2250378758	PZDMETSLLYLUHC-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CNCC[C@H]1CCC[C@@H](C)C1	2250381142	LFOXFPHJDQGMKA-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(F)CCCN	2250480003	AQXCKGOFJPBMOS-HUUCEWRRSA-N	245.426	4.696	0	10	BJAE	
CCON(CC[C@H](C)CCCC(C)C)C(C)C	2250530404	UGIOEYPWJRRQGL-OAHLLOKOSA-N	243.435	4.501	0	10	BJAE	
CCCCCC[C@H](C)NC[C@]12CCC[C@@H]1CC2	2251142567	VDWYIUCZTAQIEJ-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2251217210	FXUSJPLFRYCBCW-PMPSAXMXSA-N	237.431	4.645	0	10	BJAE	
CC1CC(Nc2cccc(C3CCCC3)c2)C1	2251255411	LQQOTIGDTFWTCK-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
CNCC1(CC[C@H]2CCCCC23CC3)CCCC1	2253864780	NVZPSPGPXRKFQP-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CC(C)C[C@]1(CC2CC3(CCCC3)C2)CCCN1	2254077070	QWIPDBPBILUIDX-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)CCCC[C@H]1C[C@H]1C)c1ccccc1	2254575684	FELJZFUNQVFFLZ-YCPHGPKFSA-N	244.378	4.576	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)[C@H]1CC12CCCCC2	2254585175	MLHMRCCHNPJNHT-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CC[C@H]2CCCC[C@H]21	2254603764	DLHVQTHLRIGKAG-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
O[C@@]1(CC2=CCCCC2)CCCC12CCCCC2	2255065823	XOGWHIGUJWZLJW-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC[C@@H]1CCCC12CC2	2255240462	YNOYOADBYGWECL-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(NCC[C@@H]2CCCC23CC3)CCCCCC1	2255274581	AFNQWLBGLVAVGT-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC[C@]1(C)C=CCCC1	2257362632	TVBFUBAVQAXLGM-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2C[C@@H]3CCC[C@H]32)c1	2257883856	BRMUIKVFUPXVHV-APHBMKBZSA-N	243.394	4.585	0	10	BJAE	
CCC(CC)CCn1ccc2cccc(F)c21	2300703210	CPYVBUKNVANSQL-UHFFFAOYSA-N	233.330	4.607	0	10	BJAE	
CC=CC[C@H](CC[C@H](C)CCCC)NCCC	2300898541	FRMSZVLPFBEIEZ-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CC[C@@H](CN[C@H](C)CC)CC1CCCCCC1	2301239345	OWJZNPOJKQVACJ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CSCC[C@H](C)Nc1cccc(C2CCC2)c1	2301880614	XYRNFUWAEUSJHB-LBPRGKRZSA-N	249.423	4.508	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H]1CCNc2ccccc21	2301930372	HNZYEUWAWLFDJA-MJBXVCDLSA-N	231.383	4.514	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@H]1CC[C@H]1C(C)(C)C	2303394762	IFVIUJLBNZLGBO-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)c2sccc2C)CC1	2303518327	ACAGYVNHXDESPT-KGLIPLIRSA-N	249.423	4.583	0	10	BJAE	
CCCC[C@H](CC)NCC[C@H]1CCC(C)(C)C1	2304423187	PIUWVJCSLKGFAS-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](C)(O)C12CC(CC(C)C)(C1)C2	2304432111	RFPHWVXYRJOFDQ-QQFBHYJXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(O)CCCC(F)(F)CC1	2307839787	BSJJQRKPMJGRCU-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCC[C@@H](CC)CC1(O)CCC(C)(CC)CC1	2307841310	GHHJMLPSLSXQFQ-QQFBHYJXSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@@H](CC)CCC)C1	2307906115	BZSHXXUSTFZRSS-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC1CC(CC)C1)NC	2307908231	GMLZFMXNGYUTQY-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1C[C@H]1C1CCCC1	2307910933	QLXATHUODBNAPV-AEGPPILISA-N	236.399	4.598	0	10	BJAE	
CC1(CC[C@@H](N)[C@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2310189710	JMDVZDZNPAUJMJ-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](C[C@@H]2C[C@H]2C2CCCCC2)C1	2311610323	MHXSDWINTIBLOV-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)C1	2312670387	NSTWOXVKDZYINV-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCc1cc([C@@](N)(CC)CCC(C)C)ccc1C	2314689750	MOHFSZAMGBJWAJ-QGZVFWFLSA-N	247.426	4.558	0	10	BJAE	
CCN[C@H](c1ccc(C)c(CC)c1)C(C)(C)CC	2314701540	CXIXAKQKTUANQT-MRXNPFEDSA-N	247.426	4.644	0	10	BJAE	
CCC[C@@]1(CN[C@H](C)CC)C[C@H]2C=C[C@H]1CCC2	2316731193	MVHTXHLHUZWZKH-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
NC1(CC2CCCCCC2)CCC2(CCC2)CC1	2316886089	UOQAWCRYPBWYOK-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCN[C@@H](C)c1cccc(C2CCC(C)CC2)c1	2317107820	SHTVHOQZCFVZSD-SLTAFYQDSA-N	245.410	4.651	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)c1cccc2ccoc12	2317840647	XPNCLGWJYWMEFK-NWDGAFQWSA-N	244.334	4.544	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)CCC=Cc1ccccc1	2317912994	YSLXVZMTXQZUQQ-DOTOQJQBSA-N	246.394	4.523	0	10	BJAE	
CCCC[C@H](O)[C@H](c1ccccc1)C1CCCC1	2319597449	NAWBAGRDCVISMX-DLBZAZTESA-N	246.394	4.512	0	10	BJAE	
C[C@H](C[C@H]1CC[C@@H]1C(C)(C)C)c1ccc(N)cc1	2320242220	AQBAOHQREPTSHD-XPKDYRNWSA-N	245.410	4.835	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(C[C@@H]2CC[C@H]2C(C)(C)C)C1	2320252827	JLMIRCCIVCXFAM-DLTWYDFYSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@@H](C[C@@H]2CCC(C)=C(C)C2)C1	2320333382	GHHUKLNFMJUKNF-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H]2CCCCCC23CC3)CC1	2320408262	ISISXEBRTFBVRX-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
C[C@H]1CCC[C@H](C2(CNC3CCC3)CCCC2)C1	2326708051	CZDJQGBRQRFALE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)CCc1ccccc1	2328267603	CCZCUQGSORGPDX-DOTOQJQBSA-N	247.426	4.553	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1F)c1cccs1	20371192	JSCBLUDCBDOZKX-GFCCVEGCSA-N	249.354	4.759	0	10	BJAE	
Cc1cccc(N[C@H](C)CCC(C)C)c1C	21803460	TWSUXWBWNFUGFX-CYBMUJFWSA-N	219.372	4.540	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](CC(C)C)NC)cc1	35469186	UGDJORAQPGYPLQ-CJNGLKHVSA-N	233.399	4.507	0	10	BJAE	
CCCC[C@@H](N[C@@H](C)CC(C)C)c1ccccc1	37255677	AXYZLYXZPLZYOM-DOTOQJQBSA-N	247.426	4.942	0	10	BJAE	
CC[C@H](C)c1cccc2c(C)c([C@H](C)NC)oc12	40996207	GXKPORGPSQNMSE-JQWIXIFHSA-N	245.366	4.535	0	10	BJAE	
CCN[C@H](CC(C)C)c1ccc2ccccc2c1	54441014	FGSFPQWTUKIOKL-QGZVFWFLSA-N	241.378	4.537	0	10	BJAE	
C[C@H](S[C@H]1CCC[C@@H](C)C1)c1cccc(N)c1	54689731	AIZOLRUIBLYWSX-XUJVJEKNSA-N	249.423	4.642	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cccc(SC)c2)C1	71104515	OAPUTBGWHCTOSQ-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccc(Cl)cc2)[C@H](C)C1	82857314	VNLXUKHSIXFOGY-JTNHKYCSSA-N	237.774	4.577	0	10	BJAE	
C[C@H]1CCC[C@@H](CNc2ccc(Cl)cc2)C1	84340467	UUCJPEIOBWQYJJ-NWDGAFQWSA-N	237.774	4.578	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CC[C@H](C)C[C@@H]2C)c1	85085198	BRBAIHANFUOWGL-PJODQICGSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C2CCC(C)CC2)CC1	86918873	GCXMAPVLROQPSS-GYTBAZASSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CC2CCCC2)CC1	87187497	UFVVUBKVZBBGFV-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Sc1cc(N)ccc1C	91942509	QBXPXMHLVSHOSE-JSGCOSHPSA-N	249.423	4.638	0	10	BJAE	
CN[C@@H](C1=CCCCC1)C1(CC(C)C)CCCC1	94900962	ZHVDMTUKGNMLFW-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@H]2[C-]([CH-]C1)[C-](C)CCCC2(C)C	96833188	DLOIACGCHBKRBO-AWEZNQCLSA-N	203.349	4.536	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)(C)C)C1=CCCC1	104001213	WDKPLLRXWUGEAI-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1cc(C)ccc1C	104048138	CLHNMMIROVJABT-GDBMZVCRSA-N	234.383	4.553	0	10	BJAE	
CCCC[C@@H](NC)C(CC)(CC)c1ccccc1	109747889	VUJUYDHMNRFAFX-MRXNPFEDSA-N	247.426	4.523	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2ccc(N)c(C)c2)cc1	109774249	BOBDVHOMUMXJOB-GFCCVEGCSA-N	239.362	4.758	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(O)C1CCCCC1	122030977	PKGPNEXJZAJEEX-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](c1ccc(C2CCC2)cc1)C(C)(C)C	133141910	NQGHESISSYNZPA-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC(C)c1cc(O)ccc1C1CCCCC1	144939647	SWDKYXAEGFATIQ-UHFFFAOYSA-N	218.340	4.563	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](C2CCCCCC2)C1	148904536	GQJPEGJZYZZBTM-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCC(C)(C)C[C@@H]1C	155957852	RTWHVAJIFNTMMJ-YDHLFZDLSA-N	239.447	4.616	0	10	BJAE	
O[C@@H](CC1CCCC1)c1ccccc1C1CCC1	160021203	RRKAUIQOBGTKLA-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CCCc1ccc([C@@H](C[C@@H](C)CC)NCC)cc1	167268611	ANSFULQYTUZUBO-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@H]2C(C)C)cc1C	214444256	IDBCTHPSGTUTDV-DLBZAZTESA-N	245.410	4.930	0	10	BJAE	
CCC[C@@H](O)CCC[C@@H](C)C1CCCCC1	223450474	DKZZZCWJFHQCOP-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@@H]1CCCCC1(C)C	226827766	JCCBLOIGRGKRJC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C(=O)c1cc2sccc2s1	229215213	NJSXHGZBCXWPRE-UHFFFAOYSA-N	238.377	4.582	0	10	BJAE	
Cc1cccc([C@@H](C)NCC(C(C)C)C(C)C)c1	229534239	XVFSQIVPGVNSTI-OAHLLOKOSA-N	247.426	4.574	0	10	BJAE	
CCCNC[C@H](c1ccc(C)cc1)[C@@H](C)CCC	233087287	IVIKXTIALHCQEJ-RDJZCZTQSA-N	247.426	4.514	0	10	BJAE	
CCc1ccsc1[C@H](N)C1=CCCCCCC1	234156457	SKEXMSVILNNEAK-CQSZACIVSA-N	249.423	4.591	0	10	BJAE	
c1cc2cc(N[C@@H]3C[C@H]4CC[C@H]3C4)ccc2s1	250006016	FJGTWOSBDQOBKH-COPLHBTASA-N	243.375	4.502	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@H](C)CC)c1cccs1	251185073	SGYFWOOREPIWQD-UPJWGTAASA-N	239.428	4.614	0	10	BJAE	
CCc1ccc2cc(SC)sc2c1Cl	306844702	FOGMUEANSRNHIF-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CSc1cc2c(Cl)cc(Cl)cc2s1	306853194	TWBHTPWGADKEGZ-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCc1cc(Cl)c2sccc2c1CC	307288310	BKKRIYUOFOIQCI-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@@H](C)C2)cc1C	310061522	SIKAENQLUMQLLR-IUODEOHRSA-N	231.383	4.548	0	10	BJAE	
C1CCCC(N[C@@H]2CCCC23CCCCC3)CC1	313000877	AQNHRBGXHPSXPA-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CCNC[C@]1(C[C@@H](C)CC)CCC[C@H](CC)C1	317068889	GGIYKEIWUUEEBP-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@](C)(CC)[C@H]1CCCC[C@H]1CC	317498263	FZSCMDQPBODWSI-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC1(CNC(C)C)CCCCCC1	317774583	UKOKREPTFYPJKN-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@@](CNC2CC2)(C2CCCCC2)C1	319120806	AQARKDDSESLVCG-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	319624584	OQMBBIIHRWHWPA-CHWSQXEVSA-N	234.383	4.798	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@@H](C)CC(C)C	380096159	WCSRHJAIMKVZDQ-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(=O)c1cccs1)C1CCCCC1	380185459	YXXMBIPHIBKJAK-LLVKDONJSA-N	236.380	4.537	0	10	BJAE	
Cc1ccccc1CC(=O)CCCCCC(C)C	383154494	OXIOMTMMGLTCDR-UHFFFAOYSA-N	246.394	4.713	0	10	BJAE	
C[C@@H](C[C@H](O)CCC(C)(C)C)C1CCCCC1	384123303	HOURYNWZABQPMO-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CCCc1ccccc1[C@@H](NCC)[C@@H](C)C(C)C	384677078	SKCKTWVOCKWEMN-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
Clc1ccc(NCCCC2CC2)cc1Cl	394495208	NCNVCRYLWGKSAZ-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CCN[C@@H]1CC[C@H](CCCCCC(C)C)[C@H]1C	394803135	GFAIUXVCGLRAST-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCc1cc(CC)c2sccc2c1C(F)F	396167979	LYDSZFRGVJYIBU-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCOc1cc(C(F)F)c2cc(C)sc2c1	396241941	MHDTWPGWCSNMFN-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
C[C@@H](CN[C@H]1CCCCC12CCCC2)C1CCC1	398937379	ULXJRKOBEQYAKY-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](NC(C)C)c1coc2ccccc12	404707213	YIMLENCNBDRXMO-HNNXBMFYSA-N	245.366	4.662	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@H]1CC1(C)C	688941113	WEXIYTDVSHLJAF-HZPDHXFCSA-N	245.410	4.507	0	10	BJAE	
CCSc1cccc(N[C@H](CC)[C@H]2C[C@@H]2C)c1	689683690	DNUUYRQQBNILMU-TUKIKUTGSA-N	249.423	4.645	0	10	BJAE	
CCC[C@H](CC)Nc1cccc(C2CCC2)c1	690111978	BYUQRVWLPWYVKW-HNNXBMFYSA-N	231.383	4.945	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1cscc1C	691037485	IWMBVYAONACQSD-QWHCGFSZSA-N	237.412	4.827	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@H]1CC[C@@H](CC)C1	692061836	RVHKCTYIKDPUPV-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
C[C@H](NC[C@@H]1CCCC2(CC2)C1)C1CCCCC1	695692384	VUSZSDKRHQXRRA-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCC[C@H]1C1CC1	695810414	MYFWICWWUVXHGO-HRCADAONSA-N	237.431	4.514	0	10	BJAE	
CC(C)=CCCn1ccc2cccc(Cl)c21	697789745	LFGYMCJTHLRTDZ-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@@H]1C)C(C)(CC)CC	701146679	RRPHRMPCVACACI-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C1CC(C)(C)C1	701460489	SSRUEECBOMJSDX-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(CCC1CCCC1)[C@@H]1CC1(C)C	704473013	ILVOTUTYUSTWFJ-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC1(CN[C@H](C)[C@@]23CCCC[C@H]2C3)CCCC1	709156576	VHLCDWLUWOJBSF-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@H](C)C(C)(C)C	711126735	KUVWLZBATNEMSF-DZGCQCFKSA-N	227.436	4.604	0	10	BJAE	
C1CCCC(N[C@@H](C2CCCC2)C2CCC2)CC1	711831456	KKFIUBQAKAORJY-KRWDZBQOSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C1(C(C)C)CC1	713260744	DTDGPXUHDRUWFJ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](CN)[C@@H](CCC(C)=C(C)C)C1	718497582	ULYVZEWOHWHCFT-OWCLPIDISA-N	237.431	4.524	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H](C)CC(C)C	718504778	FPUUAWSNWQEQOV-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC2CC(C)(C)C2)CC1	723543844	AYIPRYZGCGHVGF-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(CC(=O)[C@H]2CCCCC2(C)C)C1	723577482	ZOEMQWVMSAFNGS-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)Oc1cccc(C(C)C)c1C(C)(C)C	725389830	KNDAWRAHSGMNLH-UHFFFAOYSA-N	234.383	4.895	0	10	BJAE	
CCCc1ccc(CS[C@H](C)C(C)C)cc1	1559378467	CSNHSNAAEODORL-CYBMUJFWSA-N	236.424	4.917	0	10	BJAE	
Cc1ccc(SCCC(C)(C)C)cc1	1640720270	DUQISSAYSAQEGQ-UHFFFAOYSA-N	208.370	4.523	0	10	BJAE	
CC(C)CSC[C@@H](C)C1CCCCC1	1652400534	GAZUVCLMJUGKDE-GFCCVEGCSA-N	214.418	4.592	0	10	BJAE	
C/C=C/CCCC[C@H]1CCCC1(F)F	1885358336	HWZUIZNZWRFATI-VUDBWIFFSA-N	202.288	4.558	0	10	BJAE	
CCC(C)=CCCc1ccccc1Cl	1888070710	SSWKOGDNHCQQTI-UHFFFAOYSA-N	208.732	4.629	0	10	BJAE	
CC(=CC[C@@H](C)C[C@H](C)N)CCCC(C)C	1900850560	ZXLGCOQQHSQORY-CABCVRRESA-N	225.420	4.523	0	10	BJAE	
CCC(C)=CCCCc1c(F)cccc1F	1900898125	LRIYCZWJIOKXON-UHFFFAOYSA-N	224.294	4.644	0	10	BJAE	
CCC[C@@H](CC)COc1cccc(C)c1C	1905295049	UXVIUQLFONWHJY-CQSZACIVSA-N	220.356	4.509	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1cc(C)sc1C	1905399652	YCCDUQZRPVOJLA-JSGCOSHPSA-N	240.412	4.615	0	10	BJAE	
CCCCC[C@@H](C[C@@H](CC)CCC)NCC	1905444199	KWLLBYIWNPMHBQ-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
C=CC=CCCC(=O)c1ccc(C(C)C)cc1	1911780519	FWSQBEMMGWLPRA-UHFFFAOYSA-N	228.335	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@@]1(O)CCC2(CCCCC2)C1	1915851850	KBXJOEBUEWPOCP-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H]1CCC[C@H]1C	1919987742	OCNJXXGYCHIMSS-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@@H]1CCCC12CCC2	1921629631	JSOCNIXAXWTVKH-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NC[C@H]1C=CCCCC1)c1cccs1	1925917561	MYZZXBYLIGJPKH-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)C[C@H]1C=CCCCC1	1925949480	RQYFBIFDUQKZRW-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CCCCCC1CC1	1936421361	TXWYRHODBLWJBA-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)NCCC1(C)CCCCC1	1937891472	FRAVXGZXCCVBCE-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC(C)C(C(C)C)[C@H](C)NC1CCCCCC1	1940247726	DRXLWRYIAKGMRB-AWEZNQCLSA-N	239.447	4.616	0	10	BJAE	
c1cc(N[C@H]2C[C@@H]3CC[C@@H]3C2)c2sccc2c1	1941960160	ONELTAFRDCNUBT-CLLJXQQHSA-N	243.375	4.502	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1CCCCCCC1	1942652606	JBBQIQGCZYUKHR-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]([C@@H](C)CCC(C)C)C1	1942657610	FKCMOBKCJXHXJV-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C(C)(C)C2CCCC2)C1	1944635488	RKTJBACUWQQERO-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C[C@@H]1CCC[C@H]1C	1944835254	ALDJUMRCBORHSZ-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC)CCC(C)(C)C(F)(F)CC	1947361880	QKGLUOJWKIVYSR-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCC[C@@H]1CC	1947466865	JUFFNPFLRFGLCV-JJXSEGSLSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCCCC12CCC2	1947879351	BTATWVWIEGPQJW-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@H]1CC12CCCC2	1950667150	CDEWUKOAZYGLSK-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCCC(C)(C)CC1	1950918014	IENNEMMFVMLVNK-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H]([C@H](C)CC(C)C)C1(CC)CCC1	1951235755	YQVNHDRBVXYJIB-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CN[C@@H]1CCCC2(CCCCC2)C1	1968634448	URVKQNIKERVWEF-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC(CC1CC1)CC1CC1	1968858763	GBTONCJJCGDYAR-DOTOQJQBSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CN[C@H](C)c1cc(C)ccc1C)C(C)C	1973386019	NWZRBABXPMMIFT-HZPDHXFCSA-N	247.426	4.636	0	10	BJAE	
C[C@@H](CNc1ccccc1C1(C)CC1)C(C)(C)C	1973423562	UZLDPAGTVAZPHE-ZDUSSCGKSA-N	245.410	4.832	0	10	BJAE	
CCCC[C@](C)(CCC(C)C)CNCCC	1978649531	VWBCRBDMCKZLRE-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCC(C)(C)C[C@H]1CCCCCCCC1=O	1980318934	JILBEMHXBBWOHU-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCNC[C@](CC)(CC(C)=CCl)C(C)C	1986399094	HERQYFHNQZGTSG-AWEZNQCLSA-N	245.838	4.571	0	10	BJAE	
CC=CCCCN(C)[C@H](CC)CCCCC	1990124134	VCAQQYQEKKDLAC-OAHLLOKOSA-N	225.420	4.633	0	10	BJAE	
CCCC(C)(C)[C@H](N)[C@H]1CCC2(CCCC2)C1	1996612653	ZIFIWVKYKPQUTO-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H](C)CC(C)C)CC1	1997099835	IUSHQICOULBMKP-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCC[C@@H](C(C)C)CC1	1997195736	LEQXSAGVJDHRHV-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC1(CN[C@@]2(C)CCCCC2(C)C)CCCC1	1997426291	MCPMEGSWXJXWFY-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C1(C)CC=CC1	1997554118	NJHXWMYYQJMKFG-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCC2(CCC2)C1	1998692955	IJUCUFRBOWKOED-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1CC12CCCCC2	2001255840	OWXQOECPGYOCNY-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCCC1CCC([C@H](C)[C@@H](CC)NCC)CC1	2002922419	YLDDYDXDHCUXSU-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@](C)(N)C(C)(C)CC)CC1	2002970389	OHAWGECVUBURLX-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC)CCCC(C)(C)C1	2002993404	KPWJQHIBSFWZPF-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@H]1CCCC(C)(C)C1)C(C)C	2003003185	BOXONBFVCRTUGW-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@]1(C)C=CCCC1	2003320022	DUFDDHLWEVYNAS-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CCC)NCC1(C)CC(C)(C)C1	2003410109	NDZFGWKVBJQICB-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1C[C@@H]1NC1CCC(CC)(CC)CC1	2004342313	RGFZTTDZJHTANT-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@H](CCC(C)(C)C)C1	2006632654	UIHVFQGFTHHJBO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CCC(C)(C)C)CC[C@H]1C	2006959802	WSAKULXFQZQYNN-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CCCC(C)C)[C@@H]1C	2006982339	SIWFQGWYFVOCRD-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(O)CC1CC(C2CC2)C1	2007758565	HYADGFDVGVSYMH-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCCCCN1CCCCCC1CC1	2008101858	KKPXIJFSNPKHBA-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CC=CCCC[C@@]1(CNC)CCCCC1(C)C	2009630301	VOSHLPYPDWFLMX-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC=CCCC[C@](CC)(CNCCC)C(C)C	2012406750	ABWSHIAWCFRAJT-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CCCCC[C@H]1C	2013265406	WGIVZWZVEXNFQW-OAGGEKHMSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)[C@@]1(CNC(C)(C)C)CCC1(C)C	2014845790	INGSNOJTGMGNFD-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC[C@@]1(N)C=CCCCC1)C(C)C	2015390113	HDMDIWUPBYITLT-MRXNPFEDSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H](CCC1(CCC)CCC1)C(C)C	2015649099	WTHBJXKIBONGBN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@H]1CC[C@H](C)CC1)NC	2017723779	VIEIVFYYDYWYRJ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H](CC)CC(F)F	2018082658	XWQVVIRKTWOZQR-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1CC[C@H](C)[C@@H](C)C1	2018132211	XRSBGPYOCIDRCU-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CCCN(CCC(C)(C)CC)CC1	2019378139	VIDRULQQBCQNAU-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCCN[C@H]1[C@@H](C(CC)CC)CCCC1(C)C	2020365079	VFIJLGKWSRPDRX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCSCCCNc1ccccc1C1CCC1	2021027153	QXZQYKJYZHCPRG-UHFFFAOYSA-N	249.423	4.509	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@H]1C[C@@H]1CCC	2022392380	ZUFKGGIMAAPWHJ-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@@H]1CCCCCC(C)C	2023609967	XDJCZOMVQRMHKA-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)C[C@@H]1CCC(C)C	2024122568	IPKMQGPDQVMYGW-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCC1(F)CCC1	2026146303	SHGTUNDOXGANEJ-KBPBESRZSA-N	243.410	4.593	0	10	BJAE	
C1CCC(C2CCN(C3CCCCC3)CC2)CC1	2027027441	XCDXBTNRDQWYTM-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
Cc1ccccc1[C@@](C)(O)CC1(C)CCCCC1	2027311811	ONROLCPFBHVBGM-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@H](C)C1CCC1	2027517201	DUGVGVMBXYAZGD-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)C[C@@H]1CC=CCC1	2027829252	AAYZNGXCEDWPLX-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C(=O)c1cccc(C2CC2)c1)C(C)C	2028559794	KBUCQVCWKBWEGT-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
CC[C@H](C(C)C)[C@H](NC)c1ccccc1C1CC1	2028602403	IJWGCLGLNBDLGY-PBHICJAKSA-N	245.410	4.507	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1ccc(C2(C)CC2)cc1	2028612821	SRRFXNRBKWYQJA-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
C[C@](N)(CCCCCC1CC1)[C@@]12CCCC[C@@H]1C2	2028643649	KTNCERBNRQHRHR-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCCC1CCC1)c1ccc(C2CC2)cc1	2029079022	SRHVJSLNINNVSV-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CC1(CC2(N)CCC3(CCC3)CC2)CCCCC1	2032257464	PXVKZMADEJDTHA-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C(C1CCC1)C1CCC1	2032485390	ZHLDTYQALZDHBE-DOMZBBRYSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CCC2CCCCC2)CC[C@H]2CCCC[C@H]21	2034255677	DXYTUEXBFMIJAY-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCCC1CCC(NC[C@H]2CC23CCCC3)CC1	2036133573	FKNAHKMIFNOHBD-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@@](C)(N)[C@@H]2CC3CCC2CC3)CCC1	2037101738	IYPQNFCNXNNQQU-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(CC[C@H]1C[C@@H]1C1CC1)C1CCCC1	2037127674	CFHPBCOUXOQUAL-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1ccccc1C1CC1	2037169898	YAQFVDIPYFSRKD-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
c1ccc2cc(N[C@@H]3CCC4(CC4)C3)ccc2c1	2038589381	FSLKRSQZUGBWRE-MRXNPFEDSA-N	237.346	4.584	0	10	BJAE	
CC1CC(CNC(C)C)([C@@H]2C=CCCCCC2)C1	2038876081	YGHWTGCCAWGVCR-AQFXKWCLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@@H]1CC12CCCCC2	2039012533	PYENBYWPRXOPKV-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@H]1CC=CCC1	2042024163	JGBHJUMPFFOXNO-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCCNC[C@@H]1CC[C@H]1C[C@@H]1CCC=CCCC1	2045329978	SHKBASFIJKGUBE-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1C=CCCCC1	2045563287	IHGPZWROGXAMCP-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2CC3CCC2CC3)CCC1	2045565804	BZQDEKPHMVEAJQ-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)C(CC)(CC)CC	2045798810	FVOPONRCEBDKDC-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CCC23CCC3)c1	2047959902	UVETVXJLGMUVNV-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048445622	STRBRDCXUHMPDK-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1CC(C)(C)C1)[C@]1(C)C=CCCC1	2050002643	JMOUBHDWTQNKHY-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC[C@@H](C)C(C)(C)C)c1ccc(C)cc1	2050429620	YRXLRUZOSMXQIZ-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
CCC1(C)CCC(N[C@@H](C)c2ccccc2)CC1	2051595388	NACBVVCELAPKHX-OOHWJJMZSA-N	245.410	4.696	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)[C@@H]1CCC[C@@H]1C	2055221018	HBRGIFGDDNRXME-DZGCQCFKSA-N	244.378	4.504	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CCCC[C@H]3F)c12	2055271374	SIZCTIJGWCQQRI-HUUCEWRRSA-N	245.341	4.657	0	10	BJAE	
OC1(C=C2CCCC2)CCC2(CCCCC2)CC1	2056854946	CTDXTKZBTDPWEQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC(C2CC2)C2CC2)CC1	2058992875	WVBIAVNVOOUTGK-AWEZNQCLSA-N	248.410	4.598	0	10	BJAE	
CC1(CCC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1	2059246193	ZROHSCVILLUPLA-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CCCCC1CC(N[C@H]2CCC23CCCCC3)C1	2059394670	ZWMVQJQEZOEQBZ-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CC[C@]23CCC[C@@H]2C3)C1	2061601586	IOVICUVPMUWQLQ-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC(=O)CC1CC(=C2CCC2)C1)C1CC1	2061696492	QFWIYVVMNDBKLC-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCCCCC12CC2	2062016127	DMDHOPWNSZEGGA-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063427458	NGVXCRCXPZHGOG-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C12CCCC1CCC2	2063850823	HCCCFDBOBYBJJO-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](N[C@@H](C)C1CC2(CC2)C1)C1CCCC1	2064597857	XHVZXHVLPZHCHB-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CN(C1CCCC1)C(C1CCCC1)C1CCCC1	2065944356	DIOMNPHJRSKWSG-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CCC[C@@]1(C[C@@H]2C[C@@H]3CC[C@@H]3C2)CCCCCN1	2068780466	PMBOBDUFDHGOKR-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(CC[C@H]1Cc2ccccc2N1)C(C)C	2068960792	VLDWOWPTYFOABF-HNNXBMFYSA-N	245.410	4.732	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)C1CC2(C1)CC1(CCC1)C2	2068975545	CRLSWGDXAQGFHS-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)C1(CC2CC2)CC1	2069514471	SJXLWHVMWVHOKG-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC1(CC2CCC2)CC1	2069561695	LQCJAAWOMGHSOS-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CNC1(CC2CCC2)CC1)C1CCCC1	2069584713	HUFLUZLETOQVPH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	2070407351	FVTVECUBOIYUOT-NCOADZHNSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CC[C@H]2C[C@H]12)C1CCCCC1	2071182353	COHDJLUNZNKDOP-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]2C2CCC2)CC1	2071800337	SUHXDOHUPQLZIY-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@@]1(CC2CCC(CC)CC2)C=CCC1	2072798514	KCNNKXLHRXSYNU-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCNC(C)(C)C2)CC1	2072822272	SPLOBKOAHQBKFQ-SHTZXODSSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CN(C)C2CCC3(CCC3)CC2)CC1	2074589957	QLUYPYZXXDGURY-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@H]2CCC23CCCC3)C1	2074900411	QUDYQHITFKKJTE-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC1CCC(N2CCCC[C@@H]2C2CCCC2)CC1	2075114847	RMRNRHQLWLCYIN-BDVYOWHSSA-N	249.442	4.610	0	10	BJAE	
CCc1cccc(CC)c1N[C@@H]1C=CCCCC1	2075362888	NKYBRKOBVYUXKC-MRXNPFEDSA-N	243.394	4.722	0	10	BJAE	
CN(C1CC2(CCCCC2)C1)[C@H]1C=CCCCC1	2075404799	FIOQMNUJSXBMEX-HNNXBMFYSA-N	247.426	4.530	0	10	BJAE	
C1=C[C@H](N2CCCC[C@@H]2C2CCCC2)CCCC1	2075411100	PUBWYYPCPGKVQB-DLBZAZTESA-N	247.426	4.530	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2075564868	LEGKDGMEPWFYQZ-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1C[C@@H]1C1CCCC1	2079433754	BQMYOCCODOUNIW-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2C[C@H]2C2CCCCCC2)C1=O	2079840769	DVVWUJPZTAXZBS-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)C[C@H]1C[C@H]1C1CCCCCC1	2079863657	KHMQOHHXCJCFSC-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
C(=Cc1ccccc1)C[C@@H]1[C@H]2CCCC[C@H]21	2210668794	VZPLZVCXYDXKBZ-ZSHCYNCHSA-N	212.336	4.526	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@H]1CC[C@@H]1C	2215094051	AAWIMAJCXZBGFO-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CN[C@]1(C)CC=C(C)CC1	2215793512	KOYMKHHVHIEPRQ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C1CC(C)(C)C1)C(C)(C)CCC	2216285187	JHEFMAQORRSVRN-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](CCCCC(F)F)NCC	2216446830	IZEFSIIUCZTTFT-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC(C)(C)C(C)C)C(C)C	2217145602	REBOPXCTYYXRGK-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CC2C[C@H]3CCC[C@H](C2)C3)C1	2218356025	IOVTTWQJSXMVJP-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CC12CCCCC2	2218718494	OFJININUWFYNTI-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
C[C@@]1([C@H](N)CCCCCCC2CC2)CC=CCC1	2218718868	SGJFFXYOODNLCD-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@@H]1CCCCC12CCC2	2220043343	CIWALKABFXLONI-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1cccc(C2(C)CC2)c1	2220926317	UNNCUKGHUYQZPB-UONOGXRCSA-N	243.394	4.586	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@@H]1C[C@H]2C[C@@H]1C2	2223119809	GDKSSAXLJOQSJJ-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(F)c(Cl)c1	2244802616	WSOAOFSDXWOXKG-JTQLQIEISA-N	243.753	4.717	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)c2csc(C)c2C)CC1	2246368621	MFZTWMMGYCDFNP-HUUCEWRRSA-N	249.423	4.501	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(F)c(C)c1F	2246377272	FEGGINILKWJENW-JTQLQIEISA-N	241.325	4.654	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC1(C)CC(C)C1	2246524917	NHVNVGABHQOMOE-BHDPWAOGSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](N)CC[C@H]1CCCCC12CC2	2246620409	MPHILMOTDRJPSA-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CCCC[C@H]2C)C1	2246724185	CKQZZQVTEOXDAN-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@](C)(N)C1CCCCC1	2247175237	IRWWONZJSLAABQ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C(=O)CCCC[C@@H]1C[C@@H]1C)C(C)C	2247176236	NUISGEHCTWRDQA-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CC[C@](N)(CC1=CCCCC1)C1CCCCC1	2247493091	AXINAOINHPHUCM-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
Fc1cc(Cl)cc2cc([C@@H]3CC34CCC4)[nH]c12	2248308481	NPTGYFVTWQEOCB-JTQLQIEISA-N	249.716	4.618	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN(C)[C@H](C)C(C)(C)C	2248839931	DQKRJJFUDYHGNL-KFWWJZLASA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCSc1cccc(N)c1	2248842194	QERHHWWXEYSYNH-CHWSQXEVSA-N	249.423	4.577	0	10	BJAE	
CCCC1([C@H](O)CCCCC[C@@H]2C[C@H]2C)CC1	2248852525	JARNOFFDNAKVMQ-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](CCCCC[C@@H]2C[C@H]2C)C(=O)C1	2248865873	MDEOCILLHBMUBX-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1CC(C)(C)C1)NCC	2250357130	HIXWOTSVAVAAMA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@H]1CC1(C)C	2250468664	GKZZIUZYBBUTMJ-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H]1CC[C@@H](CC[C@H](C)CCCC(C)C)C1	2250485600	MXTNOGCXDSOJTG-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CN)[C@H](F)CC[C@H](C)CCCC(C)C	2250530426	UIZMGWQHUZVOMU-RBSFLKMASA-N	245.426	4.552	0	10	BJAE	
CCCN(CC1CC(CC(C)(C)C)C1)C(C)C	2251584426	FFLXKOJZMOSOOA-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC1(C(=O)c2ccc3ccsc3c2)CCCC1	2253090481	WNJOXMGIBOOCPM-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CC1(C)CC([C@H](N)CC[C@@H]2CCCCC23CC3)C1	2253872066	YYXPZRBGVLHESL-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC[C@]2(C)C=CCCC2)C1	2253956033	BXMUGUPFAJUVFV-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC12CC2)CC1(C)CCC1	2255246448	OGJVKAFZQOQRIT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)CC[C@@H]1CCCC12CC2)C1CCCC1	2255304355	RBUMCVWDQGVIJE-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](N)(CC[C@H]1CCCC12CC2)C1CCC1	2255333577	STRRTDCCINSNNY-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)[C@](N)(CCCCC[C@H]2C[C@@H]2C)CCC1	2257307401	MTGXKEDJMSBGNL-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Oc1cccc2c1CCCC2	2257474044	AHSJVCBWTPVYFD-BBRMVZONSA-N	244.378	4.523	0	10	BJAE	
Cc1cc(NC2CCC3(CC2)CC3)cc(C)c1C	2258243136	YDJJFPJJTGAUHM-UHFFFAOYSA-N	243.394	4.747	0	10	BJAE	
Cc1cccc(OC[C@@]23CCCC[C@@H]2CC3)c1C	2260580739	XKTXBGYBZNSPQN-WBVHZDCISA-N	244.378	4.653	0	10	BJAE	
C1=C[C@H](Nc2cccc(C3CCCC3)c2)CCC1	2260724769	GJSBKLLNEAMLHC-INIZCTEOSA-N	241.378	4.865	0	10	BJAE	
CC[C@@](O)(C1CCCCC1)[C@H](C)CC1CCC1	2298846618	CGQUGFZIPCXRTC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@@H](C)CC1CCC1	2298855236	YFNQOTUVFPMQOP-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](C)[C@@H](N)c1ccccc1	2300678701	MPMNNSAFFAALFE-CZUORRHYSA-N	233.399	4.539	0	10	BJAE	
CCC(CC)CCC(C)=CCCNC(C)(C)C	2300699815	INPCJECGTJJCNK-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@H]1CCCC1(C)C	2300910417	ZLXBUIPYJOGQHL-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@@H](O)C[C@@H]1C[C@H]1C)CCCC(C)C	2300932585	URVRATQZPLSUQT-OWCLPIDISA-N	238.415	4.556	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)CC1CCCCCC1	2301240892	DPBXKDDSTYQGHK-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@H](C)[C@H](C)C(C)C	2301912887	MUARPGLVZKNAEF-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1CC(C)(C)[C@H]1C	2302127899	NBCYECSRUABOMQ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)CC2CCCC2)C1	2302749541	YUGPZFUCPGIZMK-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCNC2(C)CCCCC2)C1	2304419849	GOBQLJRPFZZGDV-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)(F)[C@](C)(F)CC/C=C/c1ccccc1	2307745238	VUWJOUBGEQLTGQ-XKOZXHHJSA-N	238.321	4.956	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@]12CCCC[C@@H]1CC2	2307896345	ZJMUIEGRZMAGFL-IIAWOOMASA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309174094	AQGWVAAVMVPMMH-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309805199	IFUWWQLCNYYSPS-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H](CCC[C@H]2C[C@H]2C)c2ccccc2N1	2310434678	YYXGBPNELIQYGP-QPSCCSFWSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312957665	FBTBXJGEFJVSSS-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H]1CCCNC12CCCCC2	2313694528	GEVDKPMSROLAMW-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCc1cc([C@](O)(CC)C[C@H](C)CC)ccc1C	2314640971	BWDOXNIEZFEZKR-DYVFJYSZSA-N	248.410	4.591	0	10	BJAE	
CCC(CC)CC[C@]1(CNC2CC2)CC12CCC2	2316278692	XUGQIXPBBWGMNW-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(=CCN[C@H]1C=CCC[C@@H]1C)CCCC(C)C	2316498553	CWPONOYTLGWYLW-IRXDYDNUSA-N	249.442	4.703	0	10	BJAE	
CC(=CCC(=O)[C@]12CCC[C@H]1C2)CCCC(C)C	2316511793	WNPJJIGXFKVENJ-RDJZCZTQSA-N	248.410	4.908	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1ccc2c(c1)CCCC2	2317822446	BPXIFFVGCCTQOU-ZIAGYGMSSA-N	245.410	4.658	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)CCCC1=CCCCC1	2318501661	BTEYYZOGWPKDMT-HOTGVXAUSA-N	248.410	4.908	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1CNCCCC1=CCCCC1	2318581455	WWWOCTSQNPZYFA-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)C1=CCCCCC1	2318934591	XTUBAVKPCWQZOI-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(C(=O)C[C@H]2CCC(C)(C)C2)cc1	2319287134	SLEPJRUNIRQORJ-CQSZACIVSA-N	244.378	4.648	0	10	BJAE	
CCc1ccc(N(C)C[C@@H]2CCC(C)(C)C2)cc1	2319289528	UWRKNVCKNNFMHS-OAHLLOKOSA-N	245.410	4.512	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H]1CC[C@H]1C(C)(C)C	2320255050	UCWRPXIKYOIVOU-LSDHHAIUSA-N	246.394	4.755	0	10	BJAE	
CC1=C(C)C[C@@H](CC2(CNC(C)(C)C)CC2)CC1	2320326758	HUQBTWDVJNBAAR-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CN(C2CCC2)C2CCC2)CC1	2320336227	FOYXKSGBBKQYBQ-OAHLLOKOSA-N	247.426	4.530	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@]1(C)C[C@H]1C	2320402360	RGYVCAARTMEPIZ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CNCC2CCCCCC2)CC1	2320424428	RKGFSSXFRZIVJU-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C[C@@H](C[C@@](N)(CC1CC1)C1CC1)C1CCCCC1	2320629502	UCUAGPOVQJBHSA-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H](CC)c1ccccc1	2328280498	ARJJAFWFYMXZHQ-BHYGNILZSA-N	247.426	4.724	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2ccccc2)c(Cl)c1	20303393	WZCHOBWNEJHULW-LBPRGKRZSA-N	245.753	4.822	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cccc2ccccc12	20548730	SXDOBYLHNAEIFN-QWHCGFSZSA-N	227.351	4.686	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)CCC(C)C)cc1	21797435	WERFHFVYWVARPU-BBRMVZONSA-N	233.399	4.636	0	10	BJAE	
CC[C@@H](C)CNc1ccc([C@H](C)CC)cc1	36953308	KBKPKRNXRYIKOL-CHWSQXEVSA-N	219.372	4.658	0	10	BJAE	
CCCC[C@@H](N[C@H](C)CCC)c1ccccc1	37189512	BACDXOGEYADEMY-GDBMZVCRSA-N	233.399	4.696	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(F)cc1C	68985637	IKBZPCKIBIBSRK-ZDUSSCGKSA-N	223.335	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCCC(=O)C1	70740368	SPUFDHJDSNTGFL-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](CC)CC(CC)(CC)CNC	71128003	BAMJOLBTSUAPMS-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CCC[C@@H](C)CNc1c(C)cc(Cl)cc1C	83367709	JLDSUQDGMYQBQA-SNVBAGLBSA-N	239.790	4.805	0	10	BJAE	
CCCCC[C@@H](NCC)C1CCCCCC1	83779695	VDGLVKBVWJSEJM-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC(=O)c1cccc(S[C@H]2CCC[C@H](C)C2)c1	84122217	XXUKNYNSHGJUGO-FZMZJTMJSA-N	248.391	4.560	0	10	BJAE	
CCCCCC[C@@]1(O)CCCCc2ccccc21	87164483	LSAXVCPCPUYJOC-QGZVFWFLSA-N	246.394	4.571	0	10	BJAE	
Cc1ccc(NC[C@H]2CCC[C@@H](C)C2)c(C)c1	89586088	OXTSNOFOEGGYHL-DOMZBBRYSA-N	231.383	4.542	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(C(C)(C)C)CCCN1	91446183	NILTYQSOVWKXOR-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@](O)(CC)c1ccccc1	103946051	QQJUDDBKHZFYPZ-DOTOQJQBSA-N	248.410	4.891	0	10	BJAE	
CCCCCOc1ccccc1NCCC(C)C	107794231	UMOQDJLMHNJDKM-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(C)c(C)c1	110158318	AYCCPMWXPOYLLS-OAHLLOKOSA-N	233.399	4.932	0	10	BJAE	
CCC[C@@H](N[C@H]1CCC(C)(C)C1)c1ccccc1	124983457	KMIRWVFCTPSQCP-JKSUJKDBSA-N	245.410	4.696	0	10	BJAE	
CCCCC[C@H](C)[C@H](NCC)c1ccccc1	128550238	YKGLDAUIGUXGAN-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CS[C@H](C)c1cccc(N[C@H](C)C(C)C)c1	134502442	PQYFJRCRAGNDEF-VXGBXAGGSA-N	237.412	4.567	0	10	BJAE	
F[C@@H](CC1CCCCC1)c1cccc2c1NCC2	135503688	IDSZPGIMXIQAIC-HNNXBMFYSA-N	247.357	4.636	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCC(C)(C)C[C@H]1C	155829228	UJORLORRFSADAS-IUODEOHRSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C1CCCCC1	161384866	WYKKXMSAZIUISO-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@H](C)CC(=O)c1c(C)c(C)cc(C)c1C	167175943	OEDAKQAEIAYPLC-JTQLQIEISA-N	232.367	4.539	0	10	BJAE	
CCCCC[C@](C)(O)c1cccc(C2CCC2)c1	168802331	CSPKYWIDBZFNSB-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
C[C@@H](CC1CC1)N[C@@H](c1ccccc1)C(C)(C)C	229679536	AFXCSBBCRWWPDE-BBRMVZONSA-N	245.410	4.552	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(CC2CCCC2)C1	230787896	ZPQIPRKLQHAXGA-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C1=CCCCCCC1	234402093	BLRBNBIRVNOXEQ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)[C@H](C)C2CC2)cc1	251333985	JBOOQNTVKODARP-AHIWAGSCSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](CCC1CCCCC1)c1cc(C)c(C)o1	302343002	JHFLUYAEUHTTBK-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
Fc1c(Cl)c(C(F)F)cc2sccc12	307418100	PCRBUKPLOLDESC-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC(C)[C@@H](C)CNc1cccc(Cl)c1Cl	308940369	PXRLRYYZJWKGMI-VIFPVBQESA-N	246.181	4.697	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)C)[C@H](C)C(C)C	309993914	OXAOPKXWYWRGEQ-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCC(CC)C[C@H]1C[C@@H](C)c2ccccc2N1	310388184	QYUYLCPLNCYWKJ-TZMCWYRMSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@H](C[C@H]1CCC[C@H](C)C1)NC(C)C	310415955	NATUGGZIWBKRQL-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(C)c([C@H](O)[C@H](C)C2CCCCC2)c1	310783542	FZHAHDDAISPLDU-RHSMWYFYSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(C)(C)CNC(C)(C)C	318647228	AMEGPKICWXSDSC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC1(CNC(C)(C)C)CCCCC1	318652776	BDTNFOADKUSLJZ-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](O)CCCC(C)(C)C	380118497	MEPUTJQNEVYKIL-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)C[C@H](C)CC(C)C	382678435	CYJPMNSDMKUZRE-KQGZCTBQSA-N	239.447	4.783	0	10	BJAE	
C[C@@H]1CC[C@](O)(CCC2CCCCC2)C[C@H]1C	383117954	BZFQGMJIXCTJIV-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
Cc1cccc([C@@](C)(N)CCCCCC(C)C)c1	383229260	TXOUDPXQKQCPQH-KRWDZBQOSA-N	247.426	4.775	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C1(C)CCCC1	383257369	LGJYIFHIOYUEKO-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@H](C)C1CCCCC1)NC	383577350	DLKBKQNJWCDBGS-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C)[C@@H](CC)CC1CCC(C)(C)CC1	383975363	ZEHNGEROLBEHRA-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@@H]1CC1(C)C	385173034	MLRDYYFXNHCRMQ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCCC23CCCC3)C1	385526614	QODDZBQSDONUNV-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
Cc1cc([C@@H](C)NCCC2(C)CCCC2)c(C)o1	386322439	IQIFTFSIJOXNAH-CYBMUJFWSA-N	249.398	4.517	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H](C)C1)c1ccco1	386552990	UDRRCCCEDIBJMA-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)C1CCCC1	394764001	OWNZHKDKHDBHBA-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCC12CCC2	394769627	KYLWASLHLGORMB-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CCCN[C@H](C)[C@@H](C)CCCCCC(C)C	394773089	VHFKVMUKULMYCA-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@@H](C)C1CCC1)NC	398705761	LIKCJFIADKAGPV-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCCc1cccc([C@@H](NC)[C@H](C)C(C)(C)C)c1	399239505	DPWATVKRMYKVHM-BBRMVZONSA-N	247.426	4.582	0	10	BJAE	
CC(C)(CCOc1cccc(Cl)c1)C1CC1	405964680	QSXPHKAVLCMGTF-UHFFFAOYSA-N	238.758	4.545	0	10	BJAE	
CC(C)CCCCNc1nsc2ccccc12	687709120	SRXIIRMQQHIJEV-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CCC(C)(C)CC	696562350	WACNPLNRXXGJIC-KGLIPLIRSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1ccc(Cl)cc1	696654206	YUPANSWEZBOYKI-CYBMUJFWSA-N	239.790	4.556	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CCC(C)CC1	696663199	KHCCDRRPYULQNP-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCC(C)(C)CC)C1	696734918	BXKDOLONEOCDBK-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1C[C@H]2CC[C@H](C1)C2	697961712	DKMBSXZDBOKAPL-MPTYRVRUSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCCC(=O)c1ccc(C)c(Cl)c1	704665579	OFIRDJYULCQVMW-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@H](C)CC(C)(C)C	708282376	NTBNUVFAFIKQNP-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1c(Cl)cc(NCC2CCC2)cc1Cl	709845234	PBSZGKHZBYXKHT-UHFFFAOYSA-N	244.165	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@@H](C)C(C)(C)C	710706178	IUVSHQQVFDAMBW-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@H](C)C1CCC1)C(C)(C)C	711193417	HNAVJMYFWARURD-NWANDNLSSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC(C)(C)CCNC(C)(C)C	713186187	UWYDRYCQILGPKV-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCCCCCN[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714293426	XYROWYWHISUUJO-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](CCC(C)=C(C)C)NC	718509605	WMTKSEHGCKTCPU-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CCC[C@H]2C[C@@H]21	718591553	YSMAKDVJVNYVAI-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCCCC1(C)C	718984840	FJPLSCDDTJVNCR-HNNXBMFYSA-N	239.447	4.904	0	10	BJAE	
CC(=O)c1cccc(-c2cccc(C)c2Cl)c1	719782336	YMWMGSYUEMDUSA-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
C[C@H](CC(=O)CC1CC(C)(C)C1)CC(C)(C)C	723579913	DMWGAQLPZVLRQM-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H](C1CCCC1)C1CC1	723996504	VZQMVSPCZSHHGB-SUMWQHHRSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)[C@H](C)Sc1ccc(Cl)cc1	1613257107	HFBYUVZQFGVEQE-UWVGGRQHSA-N	228.788	4.867	0	10	BJAE	
Cc1cc(C)cc(CS[C@@H](C)C(C)C)c1	1640954729	DYZPMMRKYPAJRR-ZDUSSCGKSA-N	222.397	4.581	0	10	BJAE	
CCCC1CCC(N(C)CCCC(C)C)CC1	1645490040	PUGBTWFHRLLOQE-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H](C)c1ccccc1N[C@@H](C)C(C)C	1857847835	BVGBOMIGHYWVIY-OLZOCXBDSA-N	219.372	4.657	0	10	BJAE	
CCC(CC)CC[C@@H](C)c1ccc(N)cc1	1900711460	FACPEQYTLMEWDR-GFCCVEGCSA-N	219.372	4.589	0	10	BJAE	
CCc1cscc1-c1nc([C@@H]2C[C@@H]2C)cs1	1905272481	SLZLSYMATQQNPN-WCBMZHEXSA-N	249.404	4.557	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@@H](CC)CCC	1905374529	PELNTXQVCGPCBP-ZFWWWQNUSA-N	228.420	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC[C@@H](C)CC1	1905399426	WGELLXMXYHGVKL-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H]1CCC(C)(C)CCC1=O	1908544110	BADISHXIRMIWLR-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	1910808940	DKZPGPBUMOBTGS-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](N)C1CC2(CCCCC2)C1	1912629283	BNFGPBOVPYECRT-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
N[C@@H]1CCCCCCCC[C@H]1CC1CCCC1	1913404094	MHZNLVTZDBXUTL-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CC[C@@]1(CNC(C)(C)C)C=CCC1	1916386186	OCGQXPGWFXFQLY-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(N[C@H]2CCC3(CCCC3)C2)cc1F	1916441254	ZAEVOYFBQMUYQM-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC2(CCCC2)C1)C1CCC1	1916446367	XWLCMZVELNTXTH-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)c1cccc(C2CC2)c1	1920202185	KFSUOCJILJUEFO-DYVFJYSZSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@@H]1CCCC12CCC2	1921586086	LFEMTKQMOTWXMY-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)[C@@H]1CCCC12CCC2	1921587526	WWOVBIRONBPMDS-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H](C)C2CCCC2)C1	1924139687	RYDVQSGHCDPLAD-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCN[C@@H](C)CCC(C)(C)C	1926144941	NIEZNAJEJSPCMY-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@@H]1C=CCCC1	1932605744	YWQLVEUXMYDTNO-RBSFLKMASA-N	206.373	4.949	0	10	BJAE	
CCC[C@@H](C)C(=O)c1cccc2sccc12	1938277384	GRNDVUFQYBTXBP-SNVBAGLBSA-N	232.348	4.520	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCC[C@@H]1CC1(C)C	1940875753	JDBOSBDCQSSLQG-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)c1ccc(N)cc1	1940967832	QILDDRXDPMEDIZ-UONOGXRCSA-N	233.399	4.979	0	10	BJAE	
CCC1(CC(=O)[C@H](CC(C)C)C(C)C)CCC1	1941264695	NMRARDVDIOEEFQ-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)[C@@H](CC)C(C)C	1941271432	DLFSXRXKXIERIF-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)CC1CCC=CCC1	1941811353	DKEFPLXFEZZOMT-JKSUJKDBSA-N	238.415	4.556	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)C[C@H](C)CC(C)(C)C1	1942665182	WDBYUOBVZOVFBO-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C[C@@H](C)C1CC1	1944518850	YSFYRNJKUPXFTA-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2csc3ccccc23)C1	1945600700	VJOKAABOBQOUAU-QWRGUYRKSA-N	244.359	4.520	0	10	BJAE	
CCC(C)(C)CCC1(N)C[C@H]2CCCC[C@@H]2C1	1946290272	PCRPOQYJFYLUFR-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)C[C@@H]1C=CCCC1	1947570472	RHNSOGRSTYHFEI-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
CC(C)C[C@@H](C)c1csc(-c2ccccc2)n1	1948324870	DEBJNBBIIJNCCQ-GFCCVEGCSA-N	245.391	4.960	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC(C)(C)CC(F)F	1949014449	DSACLJUGASPXTB-RISCZKNCSA-N	249.389	4.602	0	10	BJAE	
CCCC1([C@H](N)c2sccc2C2CC2)CCC1	1949078349	SKKQFMGIHURNMN-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](C)CC[C@H](CC1CCCCC1)NC	1949917862	QGKCWEJWBFARNZ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(CN(C)[C@@H](C)CCC)CC1	1968854220	OYECRLCORQOXNV-FHERZECASA-N	239.447	4.713	0	10	BJAE	
CC(C)C[C@H]1CCC[C@H](N[C@@H](C)c2ccoc2)C1	1970466487	DMZQBLIKXDLMMU-LZWOXQAQSA-N	249.398	4.535	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC2(C3CCCC3)CC2)C1	1970500271	OJVNIYFAZYRXTQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCC(C)C)CC1	1976342852	QNNYJRHTZDWZIF-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)c1csc([C@@]2(C)CC=CCC2)n1	1976659237	BWEFEKVQTNRBOQ-FZMZJTMJSA-N	235.396	4.654	0	10	BJAE	
Cc1ccc(C)n1[C@@H](C)C1CCCCCC1	1982684984	LTKISRQSRAVPJU-AWEZNQCLSA-N	219.372	4.636	0	10	BJAE	
CC[C@@](N)(CCC(C)=C(C)C)CCC(C)C	1986961218	XPIHMCGBYQRXPM-HNNXBMFYSA-N	225.420	4.667	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1CC(CC)C1	1990090030	UWHRDOYEQJFBCH-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CCCC1(C[C@H](O)C(CC)(CC)CC)CC1	1990610025	DYEFSBGBOWCTSC-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC1(CCC)CC1	1990645339	SIMKNLFULVQUSR-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCCCCCNc1ccccc1C1CC1	1992087571	AGWXXWFCWGRBAH-UHFFFAOYSA-N	217.356	4.556	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@]2(C)CC=CCC2)C1	1997606849	PDGBMKRABPEHCM-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
O=C(CC[C@H]1CCC=CCCC1)C1CCCC1	1999984041	SVRJYGZLKWIYFB-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
Cc1ccc(S[C@@H]2CCCC(C)(C)C2)c(N)c1	2000050422	GSZKQYCHNKENJH-GFCCVEGCSA-N	249.423	4.638	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)CC1CC=CC1	2000500383	UNUCAYRTYXXDHB-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H]1CC12CCCC2	2001211831	VCNZCKPERRDRHY-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1CC12CCCCC2	2001259108	LCQMVOXVBKKLKX-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
C=CC=CCCCc1ccc2ccccc2c1	2002888008	LYKRBJGPUDRDPS-UHFFFAOYSA-N	222.331	4.905	0	10	BJAE	
CCC[C@H](NCC)[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003021455	QMHIPSQLROHMSZ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCC[C@@H]1O)CC(C)(C)C	2003101187	VLUKDHITEIQMGG-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@@H]1CCCC2(CC2)C1	2003215584	VUVPDCYLZPQISM-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@@]1(C)C=CCCC1	2003324207	VETLKZPOHBYILN-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2CCC[C@H]2C)CC1	2004343176	ZJMDICOJMSJDTB-WXLSXGNJSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)Nc1ccc(CF)cc1	2007022092	FNTQWSZBNBLUMG-OLZOCXBDSA-N	237.362	4.639	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1(C)CCC(C)CC1	2007698593	UGFVRYZONJGLQC-BBBYJDLNSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)CCC2(C)CC2)CC1	2009535050	KXDXKOWLDZKSRD-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C1(C)CCCCC1	2009550458	YQLRARUQSBMOEE-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@@H](CC1CCCC1)NCCC	2009595847	MDKZWHPROQZRGF-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H]1CCC[C@@H](C)CC1	2009598253	LZNKWCDVQXLGAK-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@H](C)C(C)(C)C)NCC	2009619058	ICRBIKRNUMHWLS-MMCPSDEHSA-N	239.447	4.783	0	10	BJAE	
CC=CCCC[C@@H](CC1CCCCCC1)NC	2009620129	RQYXIJDPGNOKJU-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC1([C@@H](O)CCC(C(C)C)C(C)C)CC1	2015336840	SWFSLCWDBFWSAJ-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1cc2ccccc2s1	2015384802	YDCNIKLDMYQJIK-LLVKDONJSA-N	246.375	4.766	0	10	BJAE	
C[C@@H](CC(=O)C(C)(C)CC(F)F)CC(C)(C)C	2016023667	TZRUOTHBJNEVAP-JTQLQIEISA-N	248.357	4.699	0	10	BJAE	
CCCC1(CN[C@H](C)CCC=C(C)C)CCC1	2016150711	XKKBFXRGJUXZBF-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@H]1CCCCCCCC[C@@H]1O	2016312824	PMRFRMFWELPIKB-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C[C@](C)(N)C2CCCCC2)CCC1	2017141777	RAYZMJKNPDBEBA-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)c1cccc2ccsc12	2017244024	HLHYXTXGOXCEDS-CMPLNLGQSA-N	244.359	4.520	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@H]1CC[C@H](CC)CC1	2017730206	FGJQYWJEGFYKQT-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@@H](C)NCC)CC1	2017733802	OCARUBKKIMPJGQ-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H]1[C@H]2CCCC[C@H]21	2018136157	IDLIIVSUBKCQQW-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1(CC)CC1)NCCC	2018999904	NPMZNLGTVBCYFO-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)CN(C)CCC1CCCCC1	2019182541	TWEZBTOHWYYDSR-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCC[C@@H](C)CN(C)[C@@H](C)C1CCC(C)CC1	2019284991	GGFOFQNYRPMGBX-FYRZTWFESA-N	239.447	4.569	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)C1CCC(C)(C)CC1	2019424243	ZQVVJXBZVINCEX-CQSZACIVSA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H](C)CC(C)(C)C	2020972676	WYWSASUBMYYGRR-ZFWWWQNUSA-N	239.447	4.783	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1(C(C)C)CCC1	2020973410	FGTZYVFFOXCKJE-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](CCC(C)=C(C)C)NCC	2022389533	AARHDFKFUKOLHO-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H]1C[C@H]1CCC	2022392354	ZPHFYUKDVIFXGE-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2022417053	IVRIPTGTXUQWRE-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CCCCC(C)(F)F)[C@H](C)CC	2023294878	KYWHFRPQKLVJON-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCC1CCC(C[C@H](O)CC=C(C)C)CC1	2023318471	GYCOXSFYDNGDSL-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCC[C@H]1C[C@H]1C	2026073470	HTQRFRLDSALKKS-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
CC(C)c1ccccc1C(=O)CC[C@H]1CC1(C)C	2027812621	NTWNOJBTYMZBFI-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CC1(CCCN[C@@H](C2CCCCC2)C2CC2)CC1	2027843917	UZQFPAKSKQFAIA-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)C(C)(C)C1CC1	2028106013	VZRBZJXTOBXZJX-INIZCTEOSA-N	245.410	4.507	0	10	BJAE	
CCN[C@@H](c1cccc(CC)c1)[C@H](CC)C(C)C	2028266402	VLBYONLTFAQEGK-SJORKVTESA-N	247.426	4.582	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)c1cccc(C2CC2)c1	2028563766	XGYSSCUJTAWZRJ-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccc(C2(C)CC2)cc1	2028606478	WIVJLFBTSRZDHC-CJNGLKHVSA-N	246.394	4.598	0	10	BJAE	
C[C@H](c1ccccc1)[C@H](O)CCCCCC1CC1	2028618605	HYAYGKGBMXPUNX-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
Cc1cc(C)c(C(=O)C2(C)CC(C)(C)C2)c(C)c1	2029103878	CVECNBMKJREGNI-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CCC1(C[C@H](N)[C@@]23CCCC[C@@H]2CCC3)CCC1	2031762933	ZGCDVPNAWUHHFM-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccccc2C2(C)CC2)C1	2032243095	QPJRYRABXYSKBT-KBPBESRZSA-N	243.394	4.729	0	10	BJAE	
C[C@@H]1CCC[C@@H]1COc1cccc2ccccc12	2032479226	PXPDHCRTNVTWQD-UKRRQHHQSA-N	240.346	4.655	0	10	BJAE	
CCC[C@@]1(C[C@@H]2[C@H]3CCCC[C@H]32)CCCCCN1	2032826490	XTXXROXFHMTHGR-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H]1CCC(C)(C)C1	2033398672	AOFUGWZVDTWNKF-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CC[C@H]2CC[C@H]1C2	2035054653	YJDXTPFCUPEXFH-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccccc1C	2035398857	BCVKGLKAVGKFDX-ZMSDIMECSA-N	245.410	4.614	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CC[C@H](CC)C1	2035603908	XOVHIEXIJQZRLO-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)c1ccccc1C(C)C	2036374176	HTSMQUDLMUMZPR-RHSMWYFYSA-N	248.410	4.700	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	2037172434	VKRKXBLHXJOBFR-BBWFWOEESA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@@H]1CCCC1(C)CC1	2037221061	PPTGXBXYHJYEOF-UONOGXRCSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CC[C@@H](C2(N)CC(C3CCCCC3)C2)C1	2037588288	UVLKRJNHNFIMHG-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CCC[C@H]1CC1(C)C	2039439874	BGJQXRNTLNPQND-VGWMRTNUSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@H](C=C1CCC2(CC1)C[C@H]2CN)CC	2040493902	JHJWCWAOPUOHIW-UMFITKPXSA-N	249.442	4.668	0	10	BJAE	
CCCc1ccc(C(=O)[C@]2(C)CC=CCC2)cc1	2042098889	MYNJGLKZLZYRNK-QGZVFWFLSA-N	242.362	4.568	0	10	BJAE	
CCC1CCC(NC2(C3CC3)CCCCC2)CC1	2042949304	TZNBWSIYZVDATJ-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@H]2CCC=CCCC2)[C@H](C)C1	2045317481	MDWCRWXOORPYKN-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCC[C@H]1CCC=CCCC1)C1CC1	2045325825	IQMCWVRILGHSQG-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C23CCC(CC2)CC3)C1	2045502651	VFXKDQKUMMAIKU-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)C1(C(C)C)CCC1	2045798291	ZNLQPRWXDYSPCZ-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@H]1C[C@H]2C[C@H]2C1	2045886144	XWGRFFFZBFIKCH-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CN(CCCCCC1CC1)C1CC2(CCCC2)C1	2046330321	VLQWWFMFSKVKAG-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC[C@@](C)(CNC1CC1)C[C@H]1CC12CCCCC2	2047012983	SAWKXYJFDUMTHT-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(NC[C@@]2(C)CC=CCC2)cc1	2047726314	MDHQBVSWGRAQTF-KRWDZBQOSA-N	243.394	4.797	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)CC1CCC2(CC1)CC2	2049851604	AGJJWJBBKOUSLK-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC2(CC2)C1)C1(CC)CC1	2049866943	RFHJZYRBHQFYOP-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@H](O)CC[C@H]1CCC[C@@H](C)C1	2050440638	HYLORRUSGDAMOP-FRFSOERESA-N	246.394	4.635	0	10	BJAE	
Cc1cccc([C@H](O)CC2=CCCCCCC2)c1	2050441640	OUQHGVAHYWOYPR-QGZVFWFLSA-N	244.378	4.699	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)c2ccc(F)cc2)C1	2050494383	IQQJZZAJJVMNOD-GFCCVEGCSA-N	248.341	4.615	0	10	BJAE	
CCC1CCC(CC(=O)c2ccc(F)cc2)CC1	2050495777	XYLFJRFKNNQLQR-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)C1(C2CCC2)CC1	2051910683	ISSQJBZCQWULEU-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
O[C@]1(C[C@H]2CCC=CCCC2)CCCCC12CC2	2053314992	JWECUGJCFXOPJW-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(F)(F)F)c(C(F)F)c1Cl	2054888350	LZGLDSHMYNXDMD-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)[C@@H]2CCC[C@H](C)C2)CCC1	2055552562	QEJSDBZFJNUYFT-WBQNTZJQSA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCC2=CCCCC2)CC[C@@H]1C	2055587936	NSNFZDXTULURNO-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2CC(C3CC3)C2)CC1	2056646117	RQVADARGSBIONS-DXCHVLGVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CC(CC)C1)[C@]1(C)C=CCCC1	2056651225	OSRNRANDGNDXIC-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C2(C3CC3)CCCC2)C1	2057599164	SYMIAGIMOPACFN-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC1(C)CC1)[C@@H]1CCCCC12CCC2	2059171580	IWSRNAPQJRXRTK-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1([C@H](N)C2=CC[C@@H](C)CC2)CCCC1	2060921914	ODKVIPGVJAJTMY-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
CC1CC(C)([C@@H](N)C2=CC[C@H](C(C)(C)C)CC2)C1	2061088498	NHJSIJBHLYKWLF-MTKIKNGMSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@@H](NCCC)C1CC(C(C)(C)C)C1	2061561892	XLLMXIQTFYTAKI-UYSNPLJNSA-N	249.442	4.548	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCCC23CC3)cc1C	2062019786	XEEABVMRHQHKPK-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
C[C@H]1C[C@H]1CCCOc1ccccc1C(C)(C)C	2062617657	ATWDUWZABVSOAX-UONOGXRCSA-N	246.394	4.799	0	10	BJAE	
Cc1ccc(C)c(NCC2C[C@H]3CCC[C@@H]3C2)c1	2063471239	JQLICIIEMXGJFP-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H](C)CC1)c1occc1C	2063677243	GLZULFWAUKAYNT-YUELXQCFSA-N	249.398	4.598	0	10	BJAE	
CC1(CC2(N)CCC3(CCCCCC3)CC2)CC1	2065897601	PYMRKSUYEJBQPW-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCCC[C@H](NC[C@H](C)CCC)c1ccccc1	2066314509	TTWXGBPWIZMEJY-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CCCc1ccccc1OCC1(CCC)CCC1	2069285960	ZJDWESVWGYYAGJ-UHFFFAOYSA-N	246.394	4.988	0	10	BJAE	
CCCC1(C[C@H](O)c2cccc(C)c2C)CCC1	2069339079	FJTHMMLEWOFCNF-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H]1CCC=CCCC1	2070306148	YBEIBLZCOFBZNF-SJORKVTESA-N	249.442	4.977	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C[C@]23CCC[C@H]2C3)CC1	2070926314	MFLBZINIWWXHGL-BHYGNILZSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@H](N)c2c(C)coc2C)CC1	2072794097	QEFCSMOYJVBQAO-YMAMQOFZSA-N	249.398	4.503	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H]1CCNC2(CCCC2)C1	2074140731	DTOOWBVZIAKBRH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@@H]2CC3CCC2CC3)CC1	2074623433	HPMMUVXMVDLBPE-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCC[C@H]2C2CCCC2)C1	2074892515	NVFBTPTXVBSMRM-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
C[C@H]([C@@H]1CCCC(C)(C)C1)N(C)CC1=CCCC1	2075173035	PPXZATHDKOADEJ-GDBMZVCRSA-N	249.442	4.633	0	10	BJAE	
CC(C)c1ccccc1CN(C)C1(C)CCCC1	2075208112	RGLOOUUMJJGILQ-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2C=CCCCC2)c1	2075369421	DHQVCFZKQRAUIF-MRXNPFEDSA-N	243.394	4.722	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1cccc(F)c1C	2077183925	DJFMOGAUAVFPGL-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCCCCc1ccc([C@H](N)CCC2(C)CC2)o1	2077979928	XSWQQYHLXKCLAQ-CQSZACIVSA-N	249.398	4.592	0	10	BJAE	
C[C@]1(C[C@@H]2C[C@H]2C2CCCCC2)CCCCCN1	2079640788	DJSOHCGYJZVOCA-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1=CC[C@@H](CC)CC1	2081777208	BWQBLYNYWSQSEQ-NVXWUHKLSA-N	249.442	4.847	0	10	BJAE	
Cc1ccc(NCc2cc(C)cc(C)c2C)cc1	2082903390	LRMXEJFDWZBQON-UHFFFAOYSA-N	239.362	4.532	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1C2(CCC2)C12CCC2	2083562639	OBAGZRUGTXPPHD-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1ccccc1CC	2086045133	UFYRMRDNJNMBND-RHSMWYFYSA-N	248.410	4.889	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CCCCC1CC1	2211104023	WRGGNHXOGATCDF-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](C)c1ccc(C)c([C@@H](C)CC)c1	2214051668	KWZFAMPDOMWEHC-GXTWGEPZSA-N	233.399	4.569	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1CC)CC(C)(C)CC	2215266090	NXJVTMQADSTZKW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(CCC(C)C)CC=C(C)CC1	2215841489	ZHFZHSORMLTIMR-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](NCC)[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216256245	HDYMBZXMBVJKFZ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N(C)[C@H]1CCC[C@H](C(C)(C)C)C1	2216257516	LUJVJVAHUIJUQX-ZFWWWQNUSA-N	239.447	4.712	0	10	BJAE	
CC(=O)C[C@H](C)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216748010	SCNRBNMGTLIKSI-TUUVXOQKSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@H](O)CCCCCCCC2CC2)CC1	2216862809	MBMUJVFNYCIYGC-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
C[C@H](C(=O)CCCCCCCC1CC1)C1CC1	2216877453	MKBQPAPPXIVFEK-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@H](C)CCC(C)C	2217140946	KWHQGGVOGDRMMS-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
N[C@@H](CC1CCCC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218353937	MWNPNZVTGYACIV-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCCC1CC(N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218360241	ZZVSHLJGXPOQFE-BDYLLLIDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)C/C=C/c1ccccc1	2219065006	LPHRBKUJTFJEOG-DOLYSSGKSA-N	246.394	4.523	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)CC23CCC(CC2)C3)C1	2221036131	UESCODLZFMMQFU-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)C[C@@H]1CC=C(C)CC1	2221609147	GUMXDNPCUXMTSE-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1c(C)cccc1C	2222002029	OIXDMSXAENAZHG-CZUORRHYSA-N	247.426	4.910	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C2CC3(CCC3)C2)C1	2222262902	WLIPUWUIEIISKV-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
C(=Cc1ccccc1)Cc1ccc(CC2CC2)cc1	2226205997	IGCKQDWTDBSXCR-UHFFFAOYSA-N	248.369	4.895	0	10	BJAE	
CCC(C)(C)C(=O)CC[C@H]1CCC[C@H](C)C1	2242759659	HNTJQKYGBGYCIQ-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CNc1cc(C)cc(C)c1	2244801123	PYTINYRYQNUVMC-CQSZACIVSA-N	219.372	4.542	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CC[C@H]1CCC[C@H](C)C1	2246664596	PREBKPOFBSMTNJ-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)c1csc(C2CC2)c1	2248074207	MXRYYVCRCSRSJM-VXGBXAGGSA-N	248.391	4.635	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)[C@@H]1CC12CCC2	2248291799	OORNMKPOWKGQGV-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](CCCCC[C@@H]2C[C@H]2C)N1	2248842112	PRAFPZMELNCFKK-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
CCCC1CC(O)(CCCCC[C@H]2C[C@H]2C)C1	2248868895	DYDGEJVLTAJAJO-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C(F)F)[C@@H](C)CC	2250119905	WIOKILDUPAXYHL-YNEHKIRRSA-N	249.389	4.615	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCC[C@H]1CN	2250513536	HSEHJSWCRCXWAK-ZBFHGGJFSA-N	237.431	4.524	0	10	BJAE	
C[C@H](Nc1cccc(C2CCCC2)c1)C1CC1	2251221877	LUWJKAZLVLLGLR-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H](Oc1cc(C(C)C)ccc1C)C(F)F	2253109576	FNPATMBCVKWLNB-GFCCVEGCSA-N	242.309	4.541	0	10	BJAE	
CC1(C)C[C@H](CC[C@@H]2CCCCC23CC3)CCN1	2253887517	XCTPKRLFLLLESP-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@H](C)C1)[C@H]1C=CCCC1	2253917503	IZPRXNNPVPUWJS-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)CC2CC3(CCCC3)C2)C1	2254077045	QMKGRGIZQHXNKY-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC([C@H](N)C1CCCCCCC1)C2	2254447107	FWKAYVAUXVXKJB-XOJNLIDHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NCCCC[C@H]1C[C@@H]1C)c1ccccc1	2254535422	PVIADVXKNWKCIU-BHYGNILZSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C1CC(=C2CCC2)C1	2254569708	RYRJQJXJGDWZRL-GXTWGEPZSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@@H](N)CC2=CCCCC2)C1(C)C	2255051416	NCYHDUCWSIDDRW-UKPHBRMFSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@@H]1CCCC12CC2	2255247280	QDVOKTMHBSEZFO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(C(=O)CCC[C@@H]2C[C@@H]2C)cc1	2256231007	MZGQVVZQBRRUNZ-XJKSGUPXSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@H]1CCC12CCCC2	2257318666	FIPRGGYIJHMTFL-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1cccc(C(C)(C)C)c1	2257960480	CZUXSZQGUXLXAZ-UONOGXRCSA-N	245.410	4.832	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@@]23CCCC[C@H]2CC3)CCC1	2260672710	PSTBJSAXYKXVNV-YESZJQIVSA-N	247.426	4.565	0	10	BJAE	
c1cc(NC2C[C@@H]3C[C@H]3C2)cc(C2CCCC2)c1	2260716246	MRTDGRZDJFPPCO-GJZGRUSLSA-N	241.378	4.555	0	10	BJAE	
C[C@H]1CC=C[C@@](N)(CC2CC(CC(C)(C)C)C2)C1	2261259200	SRZGPJLHZIXQFC-GIOUXUJVSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)[C@]23CCC[C@@H]2C3)C1	2261262997	DYIPWFKFRPCWHB-GROLMSMHSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)C[C@@H]1CCC[C@H]1C	2297876990	SOMHMVOWOWDFJB-LVQVYYBASA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC)C[C@@H]1CCC[C@H]1C	2298224973	KMDQAYKECZOVES-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@H](C)CC1CC1	2298852005	LUXAIILNWIJMPY-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc([C@@H](N)CC2=CCCCC2)s1	2300610907	OJCWOTHGKMHQFX-AWEZNQCLSA-N	249.423	4.591	0	10	BJAE	
CCC(CC)CCN1CCCC[C@@H](C(C)C)C1	2300691667	WTEJJCORILEQHD-MRXNPFEDSA-N	239.447	4.571	0	10	BJAE	
NC[C@@H](CC1CCCCCC1)C1CCCCC1	2301246206	DPWAZPOJEJMRFZ-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC1CCC(c2ccnc3ccccc23)CC1	2301461615	JQMSTVSAZWOLQV-UHFFFAOYSA-N	225.335	4.529	0	10	BJAE	
CCC(CC)CC[C@H](O)CCC1=CCCCC1	2301935679	OURKYCLVJAQTGB-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@@H]1CCCC(C)(C)C1	2301961783	NPHDMNWTXUZOBM-MELADBBJSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H]1CCCCN([C@H](C)[C@@H](C)C(C)C)C1	2301968476	RDCCZBZHUPIRDM-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](C)[C@@H](CCCC1=CCCCC1)NC	2302360625	CRMLSRDBNLWPLP-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(CC)[C@H](C[C@@H]1CCC(C)(C)C1)NC	2302689200	FLKOTCQWJGOCCC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@H]1CCC(C)(C)C1	2302905361	QHPBEYLXRCGEII-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1C(=O)CC1CCCCC1	2303397224	RTQSYFJWJYFKLM-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCC(=O)CC[C@@H]1CCC(C)(C)C1	2304437841	SHUZWZBQRQHHRT-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc(C2C[C@H]3CC[C@H](C2)C3)n1	2307702310	VOIILNKPMGNUGV-BLFANLJRSA-N	247.407	4.560	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1C)C[C@@H]1CC=CCC1	2311274301	FBQBNZQSQNFLBQ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@H]2C2CCC2)CC1	2311478681	VKHSRVSMOTXKIA-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@@]1([C@@H](C)CC2CCC2)CC=CCC1	2313582308	YGXDKBFMBDORNF-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CCCNC(CC2CC2)CC2CC2)C1	2313612874	QSCQDPAIMMTTFA-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(=CCNCC1(C2CC2)CC1)CCCC(C)C	2316496426	KPCATINRUQZFKD-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@]12CCCC[C@@H]1CCC2	2316542108	MVLSNXXWRCZABH-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CNC1CC1)[C@H](C)CCCC1=CCCCC1	2318592668	LRPMCFDASIOZNX-HUUCEWRRSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1[C@@H](CCCC2=CCCCC2)CC[C@H]1NC	2318593104	QBKGQRGOSGBMBV-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
N[C@@H]1CCC[C@@H]1CC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2318793099	BZSCFAFWHFCIQY-MZBWOGCUSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCC1CC1)CC1CC2(CCCC2)C1	2318878073	PADLLLJBWBOGEA-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@H]1CCC12CCC2	2320258821	PBMUCXNMPMATFM-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCC(C)=C(C)[C@H]2O)CC1	2320349418	ZAYRHPIAQWXYGH-IXDOHACOSA-N	248.410	4.620	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCC[C@@H]3CC[C@@H]32)C1	2321599497	VDKLBRCRJSFMGD-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@@H]2CCC[C@H]2C)c1	2327676799	BGUFPRCPYQSVIU-FRFSOERESA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)CCCC(C)C)c1	2327697826	VCDQSMOMOKAPLY-KRWDZBQOSA-N	247.426	4.945	0	10	BJAE	
Cc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1C	1518229	OBHYHWKTVNOVAH-UHFFFAOYSA-N	239.293	4.591	0	10	BJAE	
Cc1ccc([C@@H](C)NC2CCCCCC2)cc1C	20002919	UXMAFSQTHSSXOB-OAHLLOKOSA-N	245.410	4.677	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)c1ccccc1C	20559108	QAQQFULBBNWVBR-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
C1=CC[C@@H](CNc2cccc3ccccc23)CC1	21518071	MUCQWXZSVXTSDS-CQSZACIVSA-N	237.346	4.608	0	10	BJAE	
CCCN[C@@H](c1ccc(C)s1)C(CC)CC	35573273	HEVAAPGRRWGMBF-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CC(C)C[C@@H](O)c1ccc(C2CCCCC2)cc1	36171585	UNFQZQQSPNMFCX-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
Cc1ccc2c(c1)[nH]c(=S)n2C1CCCCC1	36897453	UPSFNCPKSBQBJZ-UHFFFAOYSA-N	246.379	4.513	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCC[C@H](C)C2)c(C)c1	37254104	FVZYLHBUNNBNRB-RCBQFDQVSA-N	245.410	4.533	0	10	BJAE	
CCC[C@H](C)C[C@H]1C[C@H](CCC)CCC1=O	71083870	OQGPVVIIXWZTLM-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc2c(ccn2CCCc2ccccc2)c1	75233505	DRCNWOOGNPILLQ-UHFFFAOYSA-N	249.357	4.583	0	10	BJAE	
CCCNCCCCCCC1CCCCC1	80115352	MBZWCQZOWQHRQB-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
CCCC[C@@H](CC)CNc1cc(C)cc(F)c1	91513787	JURXLWILQBGCNH-CYBMUJFWSA-N	237.362	4.762	0	10	BJAE	
CCC[C@@H](N[C@@H](C)c1ccoc1)c1cccs1	94869169	BUMCGLWFWOPTGC-WCQYABFASA-N	249.379	4.533	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)c1cc(C)ccc1C	111666363	ABZPSHOIVQBUBL-LSDHHAIUSA-N	247.426	4.779	0	10	BJAE	
CCC(CC)CN[C@H](C)c1c(C)cc(C)cc1C	124787515	YAAJXQSYRBXKTH-OAHLLOKOSA-N	247.426	4.699	0	10	BJAE	
CCCCCC[C@H](NCC)c1csc(C)c1	129404105	YOBPPNPQJOCRHL-AWEZNQCLSA-N	239.428	4.678	0	10	BJAE	
O[C@H](CC1CCCC1)c1cccc2ccsc12	133693143	ACRGQIMRECOARK-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CCCCOc1ccc(N[C@@H](C)CC(C)C)cc1	142778214	HAXSUWMGGDMZGG-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C1(C)CCCC1	162209250	FYAMJPQGKJKXRK-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCc1cccc(-c2cccc(C(C)=O)c2)c1	166085299	WNZQOOBBAPYLLF-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
CCCC[C@@H](C)N[C@H](CCC)CCCC	225995107	QTLKLJMZNWRANJ-ZIAGYGMSSA-N	213.409	4.514	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1CCCCC1(C)C	226818957	FMSHYZIXSFDWBT-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@@H](C)c2ccccc21)C(C)C	228128997	SPVFMDXRSRIRIX-COXVUDFISA-N	245.410	4.649	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)c1cc(C)cc(C)c1	229481302	IBSBUKVXTHPJRA-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
C[C@H]1CCC[C@H](NCC2CCCCCC2)CC1	235605525	NSPKTVWAOFJLJV-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1N	250840826	XRVOHLIJNMRZAQ-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCC[C@H]1CC	251254168	BINWUADENAJRTR-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@H]1CCCC[C@H]1CC	252903158	NYZZSZIVCQGWFG-KBMXLJTQSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@H](C)C(C)(C)C)C1	300309926	QDKXGTDFSUFXEN-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCCC(C)(C)C)CC1	300955569	XVXRACFPCCCIIY-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)C[C@H](C)CC(C)(C)C	302272395	DCVWQAAWEMHLMZ-SOUVJXGZSA-N	242.447	4.882	0	10	BJAE	
CCc1ccc(N[C@H]2/C=C/CCCCC2)cc1C	302321914	QAYJGQSCVCIYFD-DYLHUKMJSA-N	243.394	4.858	0	10	BJAE	
CCC1(C[C@@H](O)C2CCC(C)(C)CC2)CCC1	310177874	VPXKRIHNVSRQQJ-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H]1CC[C@H](C)[C@@H](C)C1	310594290	BXPHZDYJBQJRNT-AEGPPILISA-N	241.378	4.947	0	10	BJAE	
CCCC1([C@@H](NCC)c2ccc(C)cc2C)CC1	310628053	KYIXFBBEHYSRGS-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1CCCC12CCCCC2	313005523	BYHQLSSUSSQWLO-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)[C@@H](C)[C@@H](C)CC	319450396	SPFZGTMOLCQOPO-HRCADAONSA-N	241.463	4.721	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1[C@@H](C)[C@H](C)CC	320092406	YRNJFCPXSIFAIB-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@H]1CCC[C@@H](CC)CC1)C1CC1	324519710	KEZNWWBBOLODTO-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@](O)(C[C@@H](C)C2CCCCC2)C1	379862132	PPEFPSHMJCJTOA-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCc1cc(N[C@@H]2CCC(C)(C)C2)ccc1C	379871042	PKMIUURRISLTME-OAHLLOKOSA-N	231.383	4.548	0	10	BJAE	
CCC[C@@H](N)CCC[C@H](C)C1CCCCC1	380163331	VIYGGCUAEABODV-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C1CCC(C)CC1	383532535	MYDGVRGGTORBTK-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)c1ccc2ccccc2c1C	384737336	QGXOQLFNSHALHE-SJKOYZFVSA-N	241.378	4.584	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)CC(C)(C)C)c(C)c1	384860757	HCZSSBZIZGOUNJ-CABCVRRESA-N	247.426	4.779	0	10	BJAE	
CCCc1cccc([C@@](O)(CCC)C(C)(C)C)c1	395263838	HMDWQFOKCMTUAT-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CSc1csc2cc(F)cc(C(F)F)c12	396238202	JOSSVDOHRGQMDG-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1c(C(F)(F)F)ccc2c(C)csc12	396300441	ILALKBKBFNCUOX-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCN[C@H](c1ccccc1C)[C@@H](C)C(C)(C)C	399179645	RIIAMEZUQWMPCV-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](O)(CCCC2CC2)C1	406030090	MFOJUSVZHJCESU-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCN[C@H]1C[C@@H](C)c2ccccc21	686308688	HAYYUFMBEJJQLB-CJNGLKHVSA-N	245.410	4.651	0	10	BJAE	
CCc1cc(C)cc(CC)c1NCC1(C)CCC1	687272381	FDYONRWDZDIFOR-UHFFFAOYSA-N	245.410	4.722	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@H]1CCCC1CCC1	688375673	VBLIPLZBUPEJTQ-CJNGLKHVSA-N	243.394	4.630	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@@H](CC)CC(F)F	688708479	JOGBPPZITLECAF-GXTWGEPZSA-N	249.389	4.603	0	10	BJAE	
CC(C)c1cccc(C(=O)C2(C)CCCC2)c1	688971843	SZGMPXGLBPHTMN-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
C[C@](O)(CC1CCCCC1)C1CCCCCC1	689723561	ILQMNELXRVLMBD-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)Oc1cc(Cl)ccc1C(C)(C)C	694960949	QCJZLJTWXKDGRP-UHFFFAOYSA-N	240.774	4.815	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@@]1(C)CC1(C)C	702167870	XXAXLMVANCWYKY-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2CCCC[C@H]2C)CC=CCC1	704836857	ZRNNNBIVQDPZHW-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@H]1CCCC[C@H]1C	704845691	SVSHEUNXUKQAQQ-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(N)(C(C)C)C(C)C	704907722	FMYRYQQPOJNBBL-CQSZACIVSA-N	227.436	4.602	0	10	BJAE	
CCC[C@@](N)(c1cccc(C(C)C)c1)C1CCC1	705382721	LRTCEKVBHFYDHV-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
Cc1cscc1NC[C@H](C)CC(C)(C)C	709085375	SWVDUMFTPAHLNT-SNVBAGLBSA-N	225.401	4.541	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1C[C@@H](C)CC(C)(C)C	709103581	PIWIPIVILJQNND-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CNC[C@H](C)CC(C)(C)C)C(C)C	709142699	JYRZOYDBCNUKSU-CQSZACIVSA-N	241.463	4.577	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](C)CC(C)(C)C)cc1	709267571	ZIKSKNIFDCPDHA-ZDUSSCGKSA-N	246.394	4.894	0	10	BJAE	
C[C@H](C[C@]1(N)CCC12CCCCC2)C(C)(C)C	710753534	MYONPFKWERRXPV-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)(CC[C@@H]1CC[C@@H]2CCCC[C@@H]2N1)C1CC1	712348005	VFDTWGHIENSLQN-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1cccc(C(C)(C)C)c1	713209144	HAURYMCQLUTCAD-HNNXBMFYSA-N	247.426	4.681	0	10	BJAE	
C=C/C=C\CCC(=O)c1cccc(C(C)(C)C)c1	713697896	ZYFONPJQDXHZBH-SREVYHEPSA-N	242.362	4.689	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]21)C1CCCC1	714258596	PGJQKLMWLVYXKQ-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1C[C@H](C(C)C)CC[C@H]1O	718530653	FBVXMTBSRINPAI-BZUAXINKSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H](CCCCC(C)=C(C)C)NCC	718654517	TUTLAIWKTOZFSD-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCCCC1(C)C)C1CC1	719189572	NFBVQJCSGNLHGZ-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](c1cc(C)cc(C)c1)C1(C)CCC1	720773588	MKANMPVRNXNHJB-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H](CC1CCCCC1)Nc1ccccc1F	720944332	OAFWLWLRNPZYEN-AWEZNQCLSA-N	249.373	4.987	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCC2(CC2)C1	723603987	QAEHFVVRABLAKV-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)[C@@H](C)NCc1cccc(C(C)(C)C)c1	1307624838	JPTDFESZQLNDHE-UONOGXRCSA-N	247.426	4.508	0	10	BJAE	
CCc1cccc(CSc2cccc(F)c2)c1	1472997015	GKTOCWNZADUGSM-UHFFFAOYSA-N	246.350	4.680	0	10	BJAE	
CC(C)=CCCN(Cc1ccccc1)CC(C)C	1615318474	KRKIEVDWUURDNK-UHFFFAOYSA-N	245.410	4.501	0	10	BJAE	
C=C/C=C/CCN1CCCC1(CCC)CCC	1654702269	QYUHYYWQUQYTFJ-BQYQJAHWSA-N	235.415	4.554	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N(Cc1ccccc1)C(C)C	1889169500	IATJCXBRKHRIRL-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CCC(CC)CC[C@H]1CCCCCC[C@H]1N	1900695524	GYDSOWXUSYKQFC-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)CCC(CC)CC	1900700060	BBCYNUFIVDFPMV-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@H](C)C(C)C)c1Cl	1901625728	MUSHLZDJBVLUQP-NWDGAFQWSA-N	239.790	4.741	0	10	BJAE	
CC[C@@H](c1nc(CC2CCC2)cs1)C(C)C	1901911455	GBXDIGBLNBTJMZ-CYBMUJFWSA-N	237.412	4.635	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)C[C@H]1CC[C@H](CC)CC1	1909702543	BPVLVSMZGHLZMN-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)C=C(CNC1CC1)C1CCCCC1	1911789210	LEKBQBORGDCNBG-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)[C@@H]1CCCCCCCCC1=O	1913390533	QPNSOPWKPHYYQU-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
CN[C@H]1CCCCCCCC[C@H]1CCC(C)C	1913392826	OBEPDDTYOUHYHU-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC(C)NC[C@]1(CC2CCCCC2)C=CCCC1	1916603617	SXMYJKLBIHRKLE-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@](O)(CC)c1ccc(Cl)cc1	1919904493	MPNHTPSSFUYCPN-AWEZNQCLSA-N	240.774	4.518	0	10	BJAE	
C[C@@](CO)(CCC1CCCC1)C1CCCCC1	1923903844	FBACNLCXVXQBRG-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@H]1CCCC12CCC2	1925760510	LEISXOGYKDDSEN-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)[C@H](C)C1CCC1	1925785382	IFRUHNSCQKINCI-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C(=O)CC2(C)CCCCC2)cs1	1935610238	RTAPMYCHFVYOTN-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCCCCC[C@H](O)CCC[C@@H]1CC1(C)C	1935926408	ZAOMZWPHQGVBFW-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@H](NC)c1cscc1CC	1938825578	JHYOCJXMVJRFLQ-AWEZNQCLSA-N	239.428	4.541	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1cc(C)cs1	1939455096	AUAQAXYNLCHDCI-LBPRGKRZSA-N	238.396	4.702	0	10	BJAE	
CC1(NC2CCC(C(C)(C)C)CC2)CCCC1	1940147724	NCZNQKXKIRHONG-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
Cc1ccccc1N[C@H](C)C(C(C)C)C(C)C	1940248643	MLKHLJVJXQLILD-CQSZACIVSA-N	233.399	4.724	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)CC1CCCCC1	1940257329	ZDYXSRFBCZSMEV-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(SCC2(C)CCCCC2)c1N	1940410598	TYIYNBRZESHSGJ-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@@H](CCC)C(C)C	1941263177	MZXBAPGQWKSBLX-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](O)CCCCCC1CC1	1941572672	DEQWBPSUDBUHMW-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC1CC(C)(C(=O)C[C@H](C)C2CCCCC2)C1	1941982622	VPIRAWBDHNNCKN-UYJPIKCFSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)CC[C@@H](O)c1ccccc1	1942654330	ZMWRCPZFHRYMNI-GOEBONIOSA-N	234.383	4.573	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@@H](C)CCC(C)C	1942665706	ZWDZSMGWAVVJSN-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1CCC(F)CC1	1944472086	PSBITNURVMAYMY-HSBZDZAISA-N	242.378	4.690	0	10	BJAE	
CC=CC[C@@]1(CNC(C)(C)C)CCCC1(C)C	1944476493	YDWFJMYJTIMYST-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)C(C)(C)C(C)C	1944672429	NRABZVBLWHRALR-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H]1CCC(C)(C)C1	1945597265	JWIFBVYKTHEQNP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNC(C)(C)C)[C@@H]1C[C@H]1C	1945829532	VYZLOYWPRGTNMW-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC([C@@H](O)CCCCCC(C)C)C1	1948411590	SOEUFUSWIMFMFZ-PCKAHOCUSA-N	240.431	4.780	0	10	BJAE	
CCCCCCN[C@H]1C[C@@H]2CCCC[C@]2(C)C1	1948597199	WNVXIXFYPLSUNL-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
C=CC=CCCC1(N)CCCCCCCCC1	1949003301	BERPGJOKJLMLPP-UHFFFAOYSA-N	235.415	4.731	0	10	BJAE	
CCC[C@](N)(CC1CC2(CCC2)C1)C(C)(C)C	1949839058	FJNWGLYBNDZFPS-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC1(CC[C@H](O)CC2CCCCC2)CCCC1	1949927042	SNPPFPGABJWRIW-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)NCCCC[C@@H]1CC12CCCCC2	1950663626	ANVFWBOBEPCVEX-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CO)CCC[C@@H](C)CC1	1950910388	GCVFRRNQQITAKP-ZBFHGGJFSA-N	238.415	4.702	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)CC2CCCCC2)CC1	1950912614	ZEUURWJOLBFFKP-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@H](NC)[C@H]1CCCC(C)(C)CC1	1950916559	BISBJCMDGONIOS-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@@H]1CCC[C@@H](C)CC1	1950931372	WLSCFSZCGQNQLK-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(N[C@H]2CCCCC23CCC3)c1F	1967688582	LZOHTSDZDRAWDB-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
CCC[C@@H](C)CN(Cc1ccccc1)C(C)(C)C	1968225924	VYFXDDNTSOMOSS-OAHLLOKOSA-N	247.426	4.723	0	10	BJAE	
CCCCC1CC(N[C@@H](C)CCCC(C)C)C1	1968309516	MPTCGKNRDCQFFO-FHERZECASA-N	239.447	4.760	0	10	BJAE	
CCc1cccc(N[C@H](C)C2CC3(CCC3)C2)c1	1968339831	OYZIQDKEEVTFPT-CYBMUJFWSA-N	243.394	4.630	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@H](N[C@H](C)c2ccoc2)C1	1970466811	DMZQBLIKXDLMMU-IIAWOOMASA-N	249.398	4.535	0	10	BJAE	
C[C@H](CNC1(C2CC2)CCCC1)C1CCCCC1	1970878705	VVJYUXFQQQNZBY-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1973573146	KHUDCCDACZSXRO-FIDHJVLJSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](NC1CCC(C)(C)CC1)C12CCC(CC1)C2	1973849657	RMZCAOQBKONCHY-TUBUQKNSSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C)c1N[C@@H](C)CCC(C)C	1975470890	QBESAJDGECPKRG-AWEZNQCLSA-N	219.372	4.540	0	10	BJAE	
C[C@H]1CCC[C@@H](c2nc(C3CC3)cs2)CC1	1976351549	YADWCABKUMCAOT-CMPLNLGQSA-N	235.396	4.704	0	10	BJAE	
CC1(c2cc3cc(Cl)ccc3[nH]2)CCCC1	1987594873	ZUFUTBDJWGNCNU-UHFFFAOYSA-N	233.742	4.653	0	10	BJAE	
CCCC[C@@H](O)C[C@H]1CC[C@H](CCC)CC1	1989772618	QYIVKBXVNDZWGP-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
Cc1cccc(-c2cc(=S)c(C)c[nH]2)c1Cl	1993669156	HKMKXJVQCFHTRE-UHFFFAOYSA-N	249.766	4.681	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@H](C)[C@@H](C)CC	1995262207	LOPHUWPIODIYDI-XQLPTFJDSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H](C)Cc1coc2c(Cl)ccc(C)c12	1995462987	DSCZNWLEEOXNKN-SECBINFHSA-N	236.742	4.983	0	10	BJAE	
C[C@@H]1C[C@H]1c1nc(C2CCCCCC2)cs1	1995499124	YLQYMEYHUBFNRQ-ZYHUDNBSSA-N	235.396	4.704	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H](C)C1)C(CC)CC	1996269262	KOGCROGLCZHHKN-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)N[C@@H](C)C1CCC(C)CC1	1996560787	HGPWGNVTDLTRMD-SLTAFYQDSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@](C)(CNCC)CC1CC(C)(C)C1	2000509053	LCORHURPKQZBGZ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CCCCCF)CNCCC	2000512135	HRFDQMUPFKBTEX-HNNXBMFYSA-N	245.426	4.712	0	10	BJAE	
CCCC[C@](C)(CC[C@H]1CC1(C)C)CNCC	2000512469	RVEQQIKKOMBWNP-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)C[C@@H]1C=CCCC1	2000523418	ORIZWEBBRYDVPU-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CC2(C)CCC2)CC1	2001136086	CCIROYARZMEQAI-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(N)[C@H]1CCC[C@H](C)C1	2002998767	OAYKPJBYZNRXBS-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@H](NCC)C1(C2CCC2)CC1	2004529229	HCORCQUWKQYDGR-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(C)([C@@H](N)CCCC2CCC2)CC1	2007696524	MLSDZFORURJHLL-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC=C1CCCCC1)C(C)(C)C	2007945085	IRFWBKXQXMPDSN-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(N)CC(CC)(CC)C1	2009303961	KHBQVNDXLNWTCB-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC[C@]12CCC[C@H]1C2	2013271934	XCPHLOMGIYJNPF-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCCCC(C)(C)Nc1nc2ccccc2s1	2013532732	IJNLILCCKBSEPC-UHFFFAOYSA-N	248.395	4.677	0	10	BJAE	
C[C@H](NC1CCCCCCC1)C1(C)CCCC1	2014340114	PHSDWESVLAXYFK-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CC(C)C(CC[C@]1(N)CCCC[C@H]1C)C(C)C	2015347051	MEZXWQHZFLNQIA-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H](C)CC(C)(C)C)CCC1	2015644487	NJRUDOMVYJDYRS-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCc1cccc(CC)c1NCC(C)=C(C)C	2017428698	CQAWGHAWQNJHPZ-UHFFFAOYSA-N	231.383	4.580	0	10	BJAE	
CC1(C)CCC(O)(C[C@H]2CC[C@H](C)CC2)CC1	2017651449	UGCUKMFCOQNCNH-HDJSIYSDSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@]1(O)C[C@H]1CC[C@H](CC)CC1	2017653689	WMHAQMHQHNYDAF-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@H]1CC[C@H](CC)CC1	2017774130	KNERYKQOECGQCI-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@H]1C=CCCCC1	2018187703	HJPUSPNSYGQDLQ-JKSUJKDBSA-N	237.431	4.633	0	10	BJAE	
CC[C@@H]1CC=C([C@@H]2CCCC(C)(C)C2=O)CC1	2020389869	ZVLQDHKYKDBICM-OCCSQVGLSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@]12CCC[C@H]1C2	2026166894	NDLQKPAUZSZHEM-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccccc1C(=O)CC[C@@H]1CC1(C)C	2027816397	VDTTXESIKYSYBL-CQSZACIVSA-N	244.378	4.648	0	10	BJAE	
C[C@H](CC(=O)c1ccc(C2CC2)cc1)C(C)(C)C	2028590049	GERYLQAVSPUTEK-GFCCVEGCSA-N	244.378	4.819	0	10	BJAE	
C(CCN[C@@H]1CC[C@@H]2CCCC[C@@H]21)CCC1CC1	2028646281	NHFAPDTYKNWJEB-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)C1(CC)CC1	2028872360	DWPOTXOSJLGHGG-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)C[C@H](C)c1ccccc1	2029835671	HJTBMMTUZBTDTM-ZOBUZTSGSA-N	248.410	4.613	0	10	BJAE	
CC(C)Cc1cccc([C@H](N)C(C)(C)C(C)C)c1	2032344419	QZFFPCGIYWDPMI-INIZCTEOSA-N	247.426	4.567	0	10	BJAE	
CCCCC1CCC(N)(CC2[C@H]3CCC[C@H]23)CC1	2032822380	JTGYXPVJGFRTHX-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@@H]1CCC(C)(C)C1	2033387943	PIPVQLXIEJMECI-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C(=O)C23CCC(CC2)C3(C)C)CC1	2033434382	DKSZKNRXLQOTBI-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@H](C[C@@H]2C=CCCC2)C1	2035593962	UKUOVMHFWKECCC-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
Cc1coc(CNC2CCCCCCCCC2)c1	2035881145	NYNRTWKRBKLOLW-UHFFFAOYSA-N	249.398	4.571	0	10	BJAE	
CN(C1CCCCC1)[C@H]1CCC2(CCCCC2)C1	2036771254	MQGSNDQPMOIXLB-INIZCTEOSA-N	249.442	4.754	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C=CCCC1)CC1CCCC1	2038114079	FPJJNXRIKBZNGL-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC[C@H]1C)C1CC2(CCC2)C1	2043547961	UPZJMTODKVZOER-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCCCN1C[C@H]1CCC=CCCC1	2045313688	BKLAZRUTEOQQEF-DLBZAZTESA-N	249.442	4.778	0	10	BJAE	
CC(C)CCCC(=O)c1cccc(C2CCC2)c1	2045564953	NCBSTUNTOZTAMN-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CCCCC2)C1(C)CC1	2047016718	QOFFQJVJZDSFJY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1=CCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047427359	NQGWIRNPXCMUOJ-HRCADAONSA-N	246.394	4.662	0	10	BJAE	
CC[C@]1(C)C[C@H]1N[C@@H]1CCCCC12CCCCC2	2047586550	KVSBGNVDSUEXGI-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1[C@@H]2CCCCC[C@@H]12	2048364653	AKQHYYCXFTZGFC-RBSFLKMASA-N	246.394	4.518	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(N)CC1CCC2(CC1)CC2	2049844733	DCKBERLMPOWIQG-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](NC)[C@@]1(C)C=CCCC1	2049998702	XEMCVICRHJYLJO-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
C[C@@H](Nc1ccc2ccccc2c1)C1(C)CCC1	2052347205	BMFJHPZSUPBHFS-CYBMUJFWSA-N	239.362	4.830	0	10	BJAE	
C[C@H](N[C@H](C1CCCCC1)C1CC1)C1(C)CCC1	2052354054	TVPWLSNKFFAJBI-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
CC1(C(=O)CC2C[C@@H]3C[C@H]3C2)CCCCCCC1	2052500883	OILIAJMUQQBAEX-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCNC[C@]1(CCC=C(C)C)CCCCC12CC2	2053356860	MILVGISYNFVROX-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2CC3(CCC(N)CC3)C2)C1	2056617281	PSUNRXXCTRCUKZ-KPLZDEIPSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1OCC1CC(C(C)C)C1	2056667316	DGQAPZOIAPCHHE-UHFFFAOYSA-N	246.394	4.871	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1CCC[C@@H]2C[C@@H]12	2057355975	ABQXTXNNEILTHF-UXLLHSPISA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CC1CCCCC1)C1(C2CC2)CCCC1	2057603196	DIXSRZNYNKTOQT-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@](C)(O)c1ccc(C(C)C)cc1	2059222577	BEELJOOVHIWDCG-RTRPANQVSA-N	246.394	4.764	0	10	BJAE	
C1CCC(CCCNCC[C@@]23CCC[C@@H]2C3)CC1	2061575504	SZYKQEXAQRHKAN-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)C)C1CC(=C2CCC2)C1	2061735511	ZSWXZZCCXRHGLY-GUYCJALGSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](NCC)C1CC2(C1)CC21CCC1	2063999383	KGGULAFDWSPYIC-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H]([C@H](N)CC23CCC(CC2)CC3)C1	2065281846	KMYZNBDMHYFNDE-VPABYTGTSA-N	249.442	4.501	0	10	BJAE	
OC1(C2=CCCC2)CCC2(CCCCCC2)CC1	2065891044	UMFWLPSGQOIWTM-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)Nc1cccc(C(C)C)n1	2066345708	ZHEZIZSVXYUKLA-ZIAGYGMSSA-N	248.414	4.688	0	10	BJAE	
CC(C)CCCCC[C@H](C)c1ccc(CN)cc1	2067356628	SIVFQRYFJXATTM-HNNXBMFYSA-N	247.426	4.855	0	10	BJAE	
CCCc1ccc(N[C@@H](C)[C@@H]2CCC2(C)C)cc1	2068290435	YNYMMHCJNGAEMW-BBRMVZONSA-N	245.410	4.876	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068707891	NBBCRXFDUROAIW-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@H]2CC23CCC3)CC1	2069191200	WVFFUKSMAIAPOK-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	2069267965	JFCULKODQSQKKA-XUWVNRHRSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H]2CCCC3(CC3)C2)CC1	2074647242	VQLRECLTXLBFMH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN(C1CCCCC1)[C@@H]1CCC12CCCCC2	2075012187	GPGXFMFRSSVBJB-MRXNPFEDSA-N	249.442	4.754	0	10	BJAE	
C1=C(CN2CCC[C@H]2C2CCCCCC2)CCC1	2075190814	JKBXRTRFOAMTPE-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
CCCN(C[C@]12CCC[C@H]1C2)C1CCCCCC1	2076545437	KUDZDUDAYGTUBF-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](c1cccc(C(C)C)c1)[C@@H]1C[C@H]1C	2079228346	ROEWTQSXIDNQPQ-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)c1ccc(C2CC2)cc1	2079852775	SAOWTJJYNVNAOI-HOTGVXAUSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)NC[C@@]1([C@H]2C=CCC2)CCCC1(C)C	2081682006	LMOGVOXJLQNLQE-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C2(C)CCC2)C12CCCCC2	2083325008	HIFAHFRNQJPDHK-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(N[C@H]2CC(C)(C)C2(C)C)ccc1C	2084356228	SOGRLJPBBOOOGD-HNNXBMFYSA-N	245.410	4.794	0	10	BJAE	
CC[C@H](CC(=O)CCCCC1CC1)C(C)(C)C	2214554900	ZOUZVRACZFMBFA-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCSc1cccc(NCC[C@H]2C[C@H]2CC)c1	2215310307	CRFMDTLSLOOSDY-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)c2scc(C)c2C)CC1	2215819873	ZMAOGFGJZVTYLS-CABCVRRESA-N	249.423	4.501	0	10	BJAE	
C[C@H](CCCCCCCC1CC1)[C@]1(C)CCN1	2216880466	VPXRDXIWJMDVSI-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC[C@]1(CNC2CCC2)CCCC(C)(C)CC1	2217125636	QWTLANDJSCALLB-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CCC(C)(C)CC)C[C@@H]1C	2217132339	XFYKTMYWVQZXNT-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NCC1(CCCC(C)(C)C)CCC1	2217138329	QBGVHZFLMGYPTC-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CN[C@@H](C)CC)CC1(C)CCCCC1	2217156463	LKTJIGSJGWIGAP-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC1(CC(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218308410	FCKXSDSAPAMGFR-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
C(CCCC1CC1)CCNC1[C@@H]2CCCCC[C@@H]12	2218721983	XGANQKMOVBGWGS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](N)C2(C)CC3(CCC3)C2)CC1	2221003683	DSGHMRONVYKSCQ-NRXISQOPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)C1(C)CC2(CCC2)C1	2221004122	ULDAUMDPSAGQTH-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CC(=O)CC23CCC(CC2)C3)C1	2221086551	SGGFBZOEIWELSS-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@]1(C)CC=C(C)CC1	2221615116	KHCBYMVNHOVDGR-IAGOWNOFSA-N	247.426	4.612	0	10	BJAE	
CCC[C@@H](CCC[C@@H]1CCCCC12CC2)NC	2246628290	XEIRNKULVFRRDY-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCCC(C)(C)NCC[C@H]1CCC[C@@H](C)C1	2246695935	ZFCGAMXYWNMVHR-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC1([C@H](N)CCCC[C@@H]2C[C@@H]2C)CCC1	2247148477	JMIPVQSHAUZPCD-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C)NCC(C)(C(C)C)C(C)C	2248387797	YKIPYNXUGUXNEC-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@](C)(O)CCCCC[C@H]1C[C@H]1C	2248871911	RCLSWALLOYEWPB-PMPSAXMXSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)CNc1cc(C2CC2)ccc1F	2250107058	DZFCGACARHVQQY-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
C[C@H](C(=O)c1ccc(C2CCC2)s1)C1CCC1	2250277529	VIZIDAPZLVLKDH-JTQLQIEISA-N	248.391	4.635	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1CC2(CC(C)C2)C1	2250448519	NAHTZQOHWYUAIF-YRUXVQORSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)CCC1CC1	2250522838	INHMHLGUBYYWKY-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2251166286	IJVLRTCPNMXTKZ-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
ClC1(CNc2cccc(C3CCCC3)c2)CC1	2251242010	AZLKDQXFVGEIQE-UHFFFAOYSA-N	249.785	4.528	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CC(C)(C)CCC1(C)C	2251673372	IGWBBZKGYYYJHB-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)c1ccc2ccsc2c1	2253064162	YNXIFEXHZMBMMO-CQSZACIVSA-N	247.407	4.583	0	10	BJAE	
CN[C@H](CC[C@H]1CCCCC12CC2)CC1(C)CC1	2253825018	RHPFPXDGEVVCJV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](CCNC2(CC3CCC3)CC2)C1	2253949825	AINMIYUYFTXZHL-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CC2CC3(CCCC3)C2)CC1	2254056246	PPYKCIOPVDSCKU-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](NCC1CC2(CCCC2)C1)C1CCC1	2254071886	JJVWAGFJFAWKSV-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@@H]2C[C@@H]2C)cc1C	2254596339	VGHGMFKYSDSSRK-ZMSDIMECSA-N	245.410	4.520	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)CC1=CCCCC1	2255132911	MOMXZNPABNYNCF-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@H]1CC1=CCCCC1	2255138647	YMHXNRJJJHQLEZ-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCC[C@@H](C)CC1	2256142184	PGYXTYBSNQESRZ-OCCSQVGLSA-N	249.373	4.769	0	10	BJAE	
CCCc1ccc([C@H](C[C@H](C)CCC)NC)cc1	2256303037	OYCGEEAIPLSWAL-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCCc1ccc([C@H](O)CCCC(C)(C)C)cc1	2256309263	GIOQTIIPXODOJX-MRXNPFEDSA-N	248.410	4.889	0	10	BJAE	
C1CC[C@@H](CC[C@H]2CCCCC23CC3)CCNC1	2259672885	MJNANSNMQLHLEU-JKSUJKDBSA-N	249.442	4.517	0	10	BJAE	
CCC1CCC(C(=O)[C@@]23CCCC[C@@H]2CC3)CC1	2260523025	ZUMGARJIHBRCCM-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
CCCC(C)(C)C(=O)c1cccc(CC2CC2)c1	2260828672	LZNNMUSBXNHHFU-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1cccc(CC2CC2)c1	2261039716	KHGRLIMLWGWJBY-ZDUSSCGKSA-N	244.378	4.504	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H]1C[C@@H]2CC[C@H]1C2	2298416999	IUNYXJHBTFDXBB-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCc1cc(C(=O)CC(CC)CC)ccc1C	2299668492	BRQHKXYMRBYYEO-UHFFFAOYSA-N	232.367	4.566	0	10	BJAE	
CC=CC[C@@H](C[C@H](CC)C(C)(C)C)NCCC	2300876707	JDULCPRDSFDNBI-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CCC(C)=CCN(C)[C@@H]1CCCC(C)(C)CC1	2300887293	BVHQGDGAHVMIDJ-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@@H]1CCCCC1(C)C	2300909702	QREXWKDTJDFNRJ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CC=C(C)CC)[C@H]1C	2300925535	DCFTYQUZQIRHSO-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H]1CC[C@@](N)(CC2CCCCCC2)C1	2301141388	YLPASGKYJUSLMS-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)NCC1(CC2CCCCCC2)CC1	2301182281	IAJPWHBPINVOJA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H]([C@@H](CC)C(C)C)[C@H](C)[C@H](C)C(C)C	2301961625	MCAAZVWFEHRGNV-LVQVYYBASA-N	241.463	4.575	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@@H](C)CCC(C)C	2302571227	IMBWYBQGBUAJFM-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](CCC[C@@H]1C[C@H]1C)NCC	2302620377	POZXEXJNCOUEOH-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCc1cscc1NCc1cc(C)cc(C)c1	2302882106	GAYMAEKKXUJOJQ-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H]1CCC(C)=C(C)C1	2303459600	SWDBTLSMXFPZKW-MAZHCROVSA-N	237.431	4.680	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNCC)CCC(C)=C(C)C1	2303579730	PSTKSWVKAJCJIY-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@](C)(O)CC[C@H]1CCC(C)(C)C1	2304350899	CPCWRPRAJWTJKV-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CC[C@@H]1CNC(C)(C)C	2307826857	RGRJHBDYPRYEKT-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCCCC1(C)C	2307835186	OMBWVVZTIKWBOS-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCCC1CC([C@@H](C[C@@H](CC)CCC)NC)C1	2307905447	XCRBTTZUFRQVSI-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@H](NC1CCCCCC1)C2	2308401209	SQIHOMIUEYVMHO-OIISXLGYSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@@H]1C[C@H]1C(C)C	2311512721	GOHNANLATQMWFG-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@@](N)(C[C@@H]2C[C@H]2C2CCCCCC2)C1	2311569683	RYPRPCIMHSTCSS-HJWJTTGWSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@@H]1C[C@H]2CC[C@H]1C2	2316504630	XBGMFAUMLAHFQV-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1CCCC12CCC2	2316882892	DJBXPQQEFZXDHA-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317040680	RGVSDXAGQSKNKH-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317122405	URDLEWCHJPAZJK-JJTUDDRGSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC[C@H]1CC[C@H]1C1CC1	2319730643	NWYDXCPHMKLARU-DYWXZXKOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CNCCC1=CCCCC1	2320189333	MAXFDUUGRMIRNM-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
C=C=CC[C@H](C[C@H]1CC[C@H]1C(C)(C)C)NCCC	2320256794	DOIJTLAUCZRBCB-BZUAXINKSA-N	249.442	4.548	0	10	BJAE	
CN[C@@H]1CCCC[C@H](C[C@H]2CCC(C)=C(C)C2)C1	2320334347	OFSDDNGIXHJRJJ-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)c1cccc(C(C)C)c1	2320568344	ZJIUWBOCQJVVLO-UKRRQHHQSA-N	244.378	4.819	0	10	BJAE	
Cc1ccc(OCC[C@H]2CCC(C)(C)C2)c(C)c1	2321633041	IYTFHZTUFBTDSY-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
O=C1CCCCCCCCCCCCC1	5189319	FUGDHQXYVPQGLJ-UHFFFAOYSA-N	210.361	4.640	0	10	BJAE	biogenic,in-vitro
CCc1ccccc1N[C@@H](C)c1ccc(C)s1	19999063	TXQTZQDZPLRNFA-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CC[C@@H](NCCC1=CCCCC1)c1cccs1	20021421	GYWOKCJWCFILEM-CQSZACIVSA-N	249.423	4.679	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H](C)c1ccccc1C	20557223	JNGDQTXKRXESEE-CWRNSKLLSA-N	247.426	4.860	0	10	BJAE	
CCCC[C@H](N[C@H](C)C(C)C)c1ccccc1	37249730	SZHPQOQGPJSKNC-ZBFHGGJFSA-N	233.399	4.552	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CC)CCCC	68986259	JEQCAKZCLUKUNG-UONOGXRCSA-N	213.409	4.514	0	10	BJAE	
CCCCCCC1(O)CCC(C(C)C)CC1	71085035	VZCYKBJSKAWXLO-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C[C@@H](C)CCC	71085362	DKFOAOKPDDWSBG-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CSc1cccc(N[C@@H]2CCC[C@@H](C)[C@H]2C)c1	85083341	ZJFNQKYVMCSBAC-LALPHHSUSA-N	249.423	4.645	0	10	BJAE	
CCCCC[C@@H](NCC)C1CCC(C)(C)CC1	87943046	RUHNSBOSQZRJMP-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC1(CNc2ccccc2)CCCC1	94901646	RMCIBDJGHBSCQX-UHFFFAOYSA-N	231.383	4.705	0	10	BJAE	
C[C@H]1c2ccccc2CP1C(C)(C)C	96837305	UZIJXLWPEJHULM-XLLULAGJSA-N	206.269	4.542	0	10	BJAE	
Cc1ccc(C)c([C@H](O)C[C@H](C)CC(C)(C)C)c1	109786048	SSVROXUGSZJQFU-XJKSGUPXSA-N	248.410	4.799	0	10	BJAE	
CCCOc1ccc(N[C@@H](C)CCC(C)C)cc1	109949338	ZJIJLCXPVHHBAG-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CCc1ccccc1	111817411	ZPEIRLIZAUZDSB-NVXWUHKLSA-N	248.410	4.587	0	10	BJAE	
CCCCCC[C@@H](NCCC)C(CC)CC	124897111	UFBUUKWGSHTQKJ-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@@H](C)CC)NCC	126297525	VIDMQALLQVTUOU-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CCCC(C)(C)NCc1cccc2ccccc12	134317111	IOFRTIVLROECRU-UHFFFAOYSA-N	241.378	4.508	0	10	BJAE	
Cc1cc(C)cc(C(O)(CC(C)C)CC(C)C)c1	165361701	YIUPSFMKFXGRJK-UHFFFAOYSA-N	248.410	4.583	0	10	BJAE	
CCCCC1CCC([C@H](NCC)C(C)C)CC1	166589068	WYDASCIWFUUYSR-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccc(C)c(Cl)c1	168042695	GPEKMTMMHGJMBW-SNVBAGLBSA-N	238.758	4.657	0	10	BJAE	
CCCCC1CCC(N)(C2CCCCC2)CC1	168468567	ZSPFPSUTCRRSAE-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC1CCC(c2c[nH]c3ccc(F)cc23)CC1	168672268	YVLQYMKVQLTWTE-UHFFFAOYSA-N	231.314	4.601	0	10	BJAE	
CCCN[C@@H](c1ccco1)C(CCC)CCC	211821679	BCOUTDWNWXPXBK-OAHLLOKOSA-N	237.387	4.537	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@H]1C[C@@H](C)CCC	218972856	ZWIFAEZXIVFJTD-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H]2CCC[C@H]2C)c1C	226523935	NJQMFPACGMJDOW-BMIGLBTASA-N	244.378	4.539	0	10	BJAE	
CC1(C)CCCC[C@@H]1CNC1CCCCCC1	226579258	DKGUGYPWKNQRCA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C1CCC(NCCC2=CCCC2)CC1	228579076	YYGLYRCKXMIWPB-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@H](C)CC2CCC2)c1	229686051	XIZXSWKZTGYZJY-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
FC(F)(F)c1cc(Cl)c2sccc2c1	231374744	KMZSLMAEDVNVAH-UHFFFAOYSA-N	236.645	4.574	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC2CCCC2)cc1	232358345	GIHLVTTWIATDHK-CYBMUJFWSA-N	232.367	4.769	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC(C)(C)C[C@@H]1C	234144744	HJYKEPOAUVZFCI-DZGCQCFKSA-N	245.410	4.794	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC2CCCCCCC2)[C@H]1C	251601357	KKWBYHLWHNEBCF-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)(C)C)C[C@H](C)CC	253052052	VUTCABBJAYNROK-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)[C@H]1CCCCC[C@H]1CNC(C)C	300461680	GHRHRTMGBJQRIO-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C[C@@H](C)CC(C)C)NC	300871130	HORGIONLLXCFGX-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(N[C@@H]2/C=C/CCCCC2)c1Cl	302321928	QBISKZRCJIGHRD-OMDQHUAHSA-N	249.785	4.949	0	10	BJAE	
Cc1cccc(N[C@H](C)CCC(C)(C)C)c1	304379329	KKSHAIUYKNFVDQ-CYBMUJFWSA-N	219.372	4.622	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](NC)C1CCCCC1	308054710	PAKSNQUKDBKKAF-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@H](CC)CC(C)C	308101423	RRKSGIITMSOEIT-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](CC2(CC)CCC2)C1	310106224	CXPQDYYFMQLOMR-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CCCCC12CCCC2	310256348	LGSAJKMWJNNIQW-OAHLLOKOSA-N	231.383	4.780	0	10	BJAE	
CN[C@H](CCC[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	310467860	AJZLYCNKKONUFC-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@@H]1C=CCCCCC1	310665617	AMHMWTDSMRADCE-HZPDHXFCSA-N	243.394	4.535	0	10	BJAE	
CCCC1CCC(CNC)([C@@H]2C=CCCC2)CC1	317014058	JSCBYVFQVLJXAM-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CCCCF)C[C@@H](C)CC(C)(C)C	380011779	KYCANUJDIKJZTG-ZIAGYGMSSA-N	245.426	4.567	0	10	BJAE	
CC1CCC(C[C@H](O)CC2CCCCC2)CC1	383573817	KNEQCQOIBPHNDW-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@](C)(O)C1CCCCC1)c1ccccc1	384330491	UHCICBBBRHNWJN-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
CCC[C@@H](Nc1cccc(C(F)F)c1)C1CC1	386148860	IKTQTUXYYVPVNE-CYBMUJFWSA-N	239.309	4.615	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)CCC(C)(C)C	395354943	KFAOCIWCCILMAT-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
COc1csc2ccc(Cl)c(C(F)F)c12	396184676	LTQNCSQFIZRMAP-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
Cc1ccc2scc(C(F)(F)F)c2c1C	396197359	MHVVYMDNEBQNTJ-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCC[C@@H](Nc1cc(F)ccc1C)[C@@H]1CC1(C)C	397736253	GUPGXVAWVVCMSP-UONOGXRCSA-N	249.373	4.761	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@]1(O)CCCC1CC1	406024010	INJDSVDNAUFKOY-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@H](O)C1(C(C)C)CCC1	686921387	DEPAIFXFXHPTKV-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(CCCC2CC2)C1	688297667	KDWJPBJRDNSBFT-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(O)CC1CCCCC1	689717576	REDJBPODQIWNJB-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
NCC1(C[C@@H]2CC3CCC2CC3)CCCCCC1	691672852	KDYBONOOMHNXSS-GPANFISMSA-N	249.442	4.502	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCC(C)(C)CC	696568802	UZDFYEGAYMSGPD-UONOGXRCSA-N	228.420	4.780	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@H](C)C(C)(C)C	696582982	UQJGPIPGWIUSIN-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@]1(C)CC[C@@H](C)C1(C)C	699079334	APMCBWJPIQNQPK-ZENOOKHLSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cc(C)cc(Cl)c1	701099641	IKZRMZTZKROMSB-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CC(C)CCCCNc1ccc(C(F)F)cc1	703977668	XRLOWNGOUMMVEG-UHFFFAOYSA-N	241.325	4.862	0	10	BJAE	
C[C@@H](C[C@](C)(N)CC(C)(C)C)C1CCCCC1	704890804	QCFVPWURHNXDEC-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(N)CC2CCCC2)C1	704913952	MIDXZXCFVYUDIT-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@H](C)CC(C)(C)C	708251077	UIUXKPPHXXDDRQ-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCCCC[C@H]1Nc1ccc(Cl)cc1	709174362	HZEJALXDRPLJJB-SMDDNHRTSA-N	237.774	4.721	0	10	BJAE	
CCCN[C@H](C(C)C)[C@@H](C)CC1CCCCC1	709757881	GQXWTRQKDNYOEY-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
Fc1cc(Cl)ccc1CC1CCCCC1	709866831	ZUEYSDKYRWYYCR-UHFFFAOYSA-N	226.722	4.602	0	10	BJAE	
CC[C@@H](C[C@@H](N)c1ccc(C)cc1C)C(C)(C)C	711048577	CZGWTHVCXHLZCN-GOEBONIOSA-N	247.426	4.766	0	10	BJAE	
CC[C@@H](C[C@H](N)c1ccc(C)c(C)c1)C(C)(C)C	711053325	MFDIOGNVQZAFES-HOTGVXAUSA-N	247.426	4.766	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)CC[C@@H]2C)c(F)c1	713064955	KABCQTDPXWYIKO-WFASDCNBSA-N	249.373	4.761	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H]1CCCC1(C)C	713125010	KYJKLNWPQSWFFC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)c1sccc1C	713700830	JXHRPRHSHZTNJQ-AFNCTOJWSA-N	249.423	4.620	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1CCC[C@H]2CCCC[C@@H]21	714304436	OQHXEUWQJKZLGE-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CC1([C@H](N)c2ccc(C3CC3)s2)CCCCC1	716663066	VFHDGNUKSSQUIH-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)c1ccoc1C	718529543	UNRCLBFEKVCHDD-INIZCTEOSA-N	249.398	4.765	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C(F)(F)CC	718560797	TUCLKXSRJXMATL-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCC(C)=C(C)C)[C@@H]1C	718653937	QZZXEMHUHLJKCI-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)S[C@H]1CCCc2ccccc21	1188676066	CZNHXZRZWJZKEX-WFASDCNBSA-N	234.408	4.842	0	10	BJAE	
CC(C)CCC[C@H](C)N(CCF)CCC(C)C	1307506091	AZMBGDAXMHMYOX-HNNXBMFYSA-N	245.426	4.519	0	10	BJAE	
C=COc1ccc(NCC(C(C)C)C(C)C)cc1	1651199615	RRKCOINQAKSBBI-UHFFFAOYSA-N	247.382	4.549	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H](C)[C@@H](C)C(C)C	1901626138	OCQFEIYWMJJSRB-NWDGAFQWSA-N	239.790	4.741	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@@H](C)CC[C@@H]1CNCCC	1912093389	YUADCCLXBBZOOY-GVDBMIGSSA-N	249.442	4.561	0	10	BJAE	
C[C@@H](C=C1CCc2cc(N)ccc21)CC(C)(C)C	1912098570	REIKMTRWKKBZLQ-LBPRGKRZSA-N	243.394	4.671	0	10	BJAE	
CCC(C)(C)CC1(CN)CC2(CCCCC2)C1	1912582116	OOBWYNNJINPXAV-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCC2(CCCC2)C1	1916417208	IPMATVAZXJZRLR-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@@](O)(CC)CC[C@H]1CCCC1(F)F	1919538736	PSMGGDWYZQPLKE-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CC[C@@](O)(CCCC1(C)CC1)c1ccc(C)cc1	1919890837	OFJJZIXNUBIINI-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CCCCC[C@](C)(N)c1ccc(C(C)(C)C)cc1	1920460630	JZKSJIZKRUCSRN-KRWDZBQOSA-N	247.426	4.738	0	10	BJAE	
CCCC1CC([C@@H](CC(CC)CC)NCC)C1	1921270273	DROKVPNKINROOJ-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](NC[C@H]1CCCC12CCC2)C1CCCC1	1921625868	WNNVXEZENZCDIE-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(N)C[C@H]3CCC[C@@H](C3)C2)C1	1923474935	FIPDFEOKISDJME-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@H](C)C1CCCCC1	1924136065	PVSUGEATQQELMC-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCNc1ccc2ncsc2c1	1926166369	XTUPOOODACXIFX-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H](C)CCC(C)C	1926189701	QZZUBBNFGIXSKX-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCC(=O)[C@@H](CC(C)C)C(C)C	1936207363	UCEPMLCDXVDLOM-AWEZNQCLSA-N	226.404	4.700	0	10	BJAE	
CC(C)CC[C@@H](C)Oc1ccc(Cl)c(F)c1	1937174805	RYYYXLDGRIQPCF-SNVBAGLBSA-N	244.737	4.683	0	10	BJAE	
CC(C)CCCC(=O)[C@H]1CCC[C@@H](C)CC1	1939903972	RQEHLTLNELKHMX-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CC1(C[C@@H](O)CCC2CCCC2)CCCCC1	1940405176	ASYMXHSADXIRDK-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@](CC)(CNCCC)CC(C)(C)F	1940807067	GBAWGARLQUPEQZ-HNNXBMFYSA-N	245.426	4.711	0	10	BJAE	
CCC[C@H](NCCCC1(C)CC1)C1CCCC1	1940847152	POASDPUMZLRSMA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC1(NCCC[C@H]2CC2(C)C)CCCC1	1940873998	DSBVCSYVEBSULI-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)c1cccc(N)c1	1940975285	BWDGWXPVUJDOIY-ZIAGYGMSSA-N	233.399	4.979	0	10	BJAE	
CCC[C@@H](C(=O)c1ccccc1CC)C(C)C	1941265268	VDWMCRSBDXTKMW-CQSZACIVSA-N	232.367	4.504	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](CC1(C)CCCCC1)NC	1941267988	ZEONGKFGOWPRQA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CCC2CCC2)CC1	1941473839	VBOVQXZLFKTDOX-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C(=O)CC1CCC=CCC1)C1CCC1	1941793567	PWDQRHZQGWYAJH-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CC(C)(C)CC[C@@H]1C	1942661022	VCYIMGSNQAIBCH-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
C=CC=CCCc1ccc(C(F)(F)F)cc1F	1943877568	OCSBGRSDICBTDZ-UHFFFAOYSA-N	244.231	4.519	0	10	BJAE	
CCC(CC)CNc1ccc(C2(C)CC2)cc1	1944598146	JXGQZSSHDWEWKB-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCCC[C@H](CC)CNC(C)(C)C1CCCC1	1945374603	NIHKWSYEGDCBIZ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCCCC12CCC2	1947912767	ALKPAUAKLFRVBO-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C1CC(C)(CC)C1	1948407675	SDPZAJFOFQVECI-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC(C)=C(C)C)CC(C)C	1948842330	ORIXBDFMJQQGDF-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(C2=CCCCC2)CC1	1948968067	QYBDSBBRVDDMFH-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H](CC)CC(F)F	1949018737	JJQOJVOWWTWXKC-JSGCOSHPSA-N	249.389	4.746	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C[C@H](C)C(C)(C)C)C1	1949046286	ZZUULIJJYXRGMW-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(CCCC2(C)CC2)C1	1949052510	BLFVMLFHZKMQBN-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](O)CCCC(C)(C)C)CC1	1950909818	AGBCJKPYLHOSIR-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)CNc1csc(C)c1	1961603988	IKONGQOUYQYXKZ-UHFFFAOYSA-N	225.401	4.685	0	10	BJAE	
CC1CC(C)(CN[C@@H]2CCCC23CCCCC3)C1	1966459759	SIKFIDJMGFZPBD-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1CC[C@H](C)C1	1968298906	MALINOWXQUPHBJ-KBPBESRZSA-N	231.383	4.658	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CC[C@H](F)C1	1968602444	KXWWBOHHTDEEDP-HIFRSBDPSA-N	249.373	4.669	0	10	BJAE	
Cc1c(F)cccc1NCC1CC(C(C)(C)C)C1	1968647717	IAEBNJIUDVTFQR-UHFFFAOYSA-N	249.373	4.618	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCCC2(CCC2)C1	1969918188	OBZOIKFCXJHFRQ-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNC2(C3CC3)CCCCC2)C1	1973784382	WZBZUIMCQRKGTN-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCCN(C[C@H](C)C(C)(C)C)[C@H](C)CC	1978896866	UINDZBOKCNVVCY-UONOGXRCSA-N	227.436	4.569	0	10	BJAE	
CC(C)CCCC[C@H](N)c1ccc(Cl)cc1	1980688918	DACPXFJEQDPSMD-AWEZNQCLSA-N	239.790	4.556	0	10	BJAE	
CC=CCCCc1cccc(C2CCC2)c1	1984609502	BSRPFRQOCQMJJV-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CC=CCCCCc1cc(Cl)ccc1OC	1984609864	GVBVHAFTSDWYCW-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
CCCCC[C@H](C[C@H]1CC[C@H](C)C1)NCCC	1996247196	GQQOEOGOUHOVHM-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@H]1CC[C@H](C)C1	1996268116	HVGFTKCDBMWFEY-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@@]1(C)C[C@@H]1C	1996563904	KSNDJCQKRCMJOU-SWLSCSKDSA-N	249.423	4.645	0	10	BJAE	
CCCSc1ccccc1NC[C@H]1C[C@@H]1CC	1996572439	DKHFNULCHBUTFE-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc(C(C)C)cc1	1996603006	NLRHTZNOFRWXCG-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC2(C)CCC2)CC1	1997109653	QNOGLECPAPFXBV-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)c1cccs1	1999993440	ZNUBZFAVWCRUFL-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1CCCC(F)(F)C1	2000191368	AWVASMLRWBCCOS-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(O)CCCC2(C)CC2)C1	2002998098	IWMJJQYLEOHGDF-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H]1CCCCCCC1=O	2003116478	IZQZRHQSTVNIPF-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@H](O)C2(C)CCCCCCC2)C1	2004923873	VMUSRHXIYMPAFC-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](N[C@@H]1C=CCCC1(C)C)c1ccsc1	2006915879	YGOQUOIKOPDCDC-ZIAGYGMSSA-N	249.423	4.534	0	10	BJAE	
CC1(C)CC[C@H](O)[C@H](C2CCCCCC2)CC1	2009409026	XXOOAGGXFLNCDF-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@]1(O)CCC[C@H](C(C)C)CC1	2009588684	ANUWXEQVIFHGBM-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC=CCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O	2009592061	JTQHHRGMSNHSTN-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CC=CCCC[C@H]1CCCC[C@@H]1CNCCC	2009616740	LPMMYXFIGOOCNB-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C1=CCC(C)(C)CC1	2010718146	RDSCVMYVAGEIDJ-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](N)C1=CC[C@H](C(C)C)CC1	2010749924	SMEDKZCGVILTOV-HOCLYGCPSA-N	237.431	4.523	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)C=CCC(C)(C)C1	2012049100	BHNHCDHNYMKPQD-CJNGLKHVSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)CC1CCCC1	2013264664	OXZIANYNFADERS-GDBMZVCRSA-N	239.447	4.760	0	10	BJAE	
CC(C)CCCCC=C1CCN[C@H]1C(C)(C)C	2014552271	DPAGHFRHIYGWNM-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](O)(C[C@H](C)C(C)C)C1	2015283586	GBOCDTVILNXUJK-HRCADAONSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(N)CCC[C@@H](C(C)C)CC1	2015394272	MLSNEMCZTGBHHY-BZUAXINKSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC2(CC)CCC2)CC1	2015594257	HNBMDBSCPHCOFN-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@](C)(CC1(CCC)CCC1)C(=O)O	2015635909	RHEGWBOAAHSMLG-AWEZNQCLSA-N	240.387	4.628	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(N)CCC(C)C)CC1	2017727607	BRCGIFPTLWCXGZ-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(C[C@@H](N)CCCC2CC2)CC1	2017728660	NVTLYKBTARCVSP-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)c1ccccc1	2018134799	RXPPVWRXOSSTLO-ZBFHGGJFSA-N	233.399	4.696	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCC[C@@H](CC)C2)CC1	2018915252	FDMSMBAEDZZGMP-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCN(C)CC1CC(C)(CC)C1	2019374749	DTARHFBFGMIOHW-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
Clc1ccc2c(ccn2[C@@H]2C=CCCCC2)c1	2019531316	CRPWHHHVRIRNCS-CQSZACIVSA-N	245.753	4.966	0	10	BJAE	
C[C@@H](C[C@@](C)(O)C1(C)CCCCC1)C1CCC1	2019778196	JXGAFHYNSUHMRC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC=C(CC)[C@](C)(N)C1CCC(C(C)C)CC1	2020922792	YANKYFDQQBJDAI-BCLQGDPASA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H]([C@H]1C[C@H]1CCC)C(C)(CC)CC	2022386347	XTORBAXBPBIIBE-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1C[C@@H]1CCCC(C)(C)C1	2024091256	GVBOMCDVHCZPKF-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC1CC(CC)C1	2026169551	JEBNMTBZMVAMDV-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1ccc(C(C)(C)C)cc1	2028251026	CGVAVLNQXFNKLN-HOTGVXAUSA-N	247.426	4.666	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)c1ccc(C2CC2)cc1	2028590694	LUISNPNRDAWBJU-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CNC2CC2)CC12CCC2	2032132051	NLIOHBMYWKPSTH-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(c2ccccc2NC[C@@]2(C)CC2(C)C)CC1	2032245931	NITZWFDLNXFSPS-QGZVFWFLSA-N	243.394	4.586	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)C12CCC(CC1)C2(C)C	2033440708	AWVGQTTVFCQIBU-WIJYIZELSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccccc1OC1[C@@H]2CCCC[C@@H]12	2033481024	YXSXMSRXKSNHPC-CHWSQXEVSA-N	244.378	4.552	0	10	BJAE	
C[C@@H](NC1C[C@@H]2CCCC[C@H]2C1)C1CCCCC1	2034142326	AXOKSRQAAAXMFO-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CC[C@H](C)[C@H]1C(C)C	2035406289	AUKARJYBRZPMHP-IUIKQTSFSA-N	249.373	4.617	0	10	BJAE	
CCOc1ccccc1N[C@H](C)[C@H](C)CC(C)C	2036382434	LTOUXBCMTZJYIF-ZIAGYGMSSA-N	249.398	4.568	0	10	BJAE	
CCOc1ccc(N[C@H](C)[C@H](C)CC(C)C)cc1	2036386956	ZQMPDZZBEDSPDS-ZIAGYGMSSA-N	249.398	4.568	0	10	BJAE	
Cc1ccc([C@H](N)C2(C)CCCCCC2)cc1C	2037071792	QRKQJMCVIYJOHB-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CCC(C)(C)C2CC2)C1	2037162089	KSSIJFRSUNTHKT-DUVNUKRYSA-N	249.442	4.523	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@@H]1C=CCCCC1	2037273367	RAKMJEZGWFNJIH-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](c1nc2c([nH]1)[C@@H](C)CC[C@@H]2C)C(C)C	2038000494	QVKRNXNQAROEHW-AVGNSLFASA-N	248.414	4.950	0	10	BJAE	
CCN[C@H](CCC1=CCCC1)CC1CCCCC1	2038163875	HSZMNJNYJAVEFK-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)C23CCC(CC2)C3)c1	2039862756	AFPDUUZOGRNRRS-VEAWUBTESA-N	247.357	4.515	0	10	BJAE	
N[C@]1(C[C@@H]2C=CCCCC2)CCCC2(CCC2)C1	2041293034	LYEBTCPPACKXND-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)c2ccccc2C)CC1	2041374089	YFJKTSRJNHDCTA-VYDXJSESSA-N	245.410	4.601	0	10	BJAE	
CC(C)(C)C1CC([C@H](N)CCC2=CCCCC2)C1	2043003023	AFPMUSSNINVNSR-UYSNPLJNSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@H]1CC(C)=C[C@@H](C)C1	2045779767	PFOWBVIXPLHYER-KBRIMQKVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CNCCC12CC1(CCCCCC1)C2	2046229885	JESDHYLYTAFEAL-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
NC1(C[C@H]2CC23CCCCC3)CCCCCCC1	2047016079	MOYWFFOCCPXADF-OAHLLOKOSA-N	249.442	4.789	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048373360	BDAOBAJZKPQBRZ-LISQQWEMSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C1[C@H]2CCCCC[C@H]12	2049217933	LHBLAPYBZCOENY-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)[C@]2(C)C=CCC2)CC1	2050007778	FXCVYKFQFKEVLB-MQBCKMQZSA-N	248.410	4.764	0	10	BJAE	
N[C@H](CC1CCCCC1)CC1CC(C2CCC2)C1	2056642505	JVQVWRKVJBTVRW-BDVYOWHSSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CCC[C@@H]3C[C@H]23)CCCCC1	2057360586	JOZUAXAZGQKMMW-ZJIFWQFVSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CC(C)=C[C@H](C)C1	2059247588	SHZUMZDYCMOHQQ-XIRDDKMYSA-N	249.442	4.703	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C1=CC[C@@H](C)CC1	2060922421	RMLKAWRTWGQDBY-CXAGYDPISA-N	244.378	4.590	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CCCC[C@H]1C	2060922891	VBYKRMPISQGGBY-XOSAIJSUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C([C@@]2(N)CCCC(C)(C)CC2)CC1	2061113248	NHOPSIJDKBHSCS-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCCCc1ccc(NCCC[C@H]2C[C@@H]2C)cc1	2062652067	MULMHTIZJMRXPP-HOCLYGCPSA-N	245.410	4.877	0	10	BJAE	
CC(C)(C)NCCC=CCC12CCC(CC1)CC2	2065337811	CDPDZKFXUSIPEF-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC12CCC(CC1)CC2)C1CC1	2065337882	OQHWEWLUFIFHBF-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@H]1CCC1(C)C)c1ccccc1	2068286370	FFIDSYIKESECQO-IMJJTQAJSA-N	245.410	4.552	0	10	BJAE	
CCCc1ccc([C@](C)(O)C[C@@H](C)C(C)C)cc1	2068816457	BDWSSYYTOXVEES-RHSMWYFYSA-N	248.410	4.529	0	10	BJAE	
CCCC1(CN2CCC[C@@H]3CCCC[C@H]32)CCC1	2069282614	MFWZQKIVCWIRBT-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](CNC1(CC2CC2)CCC1)C1CCCCC1	2069493034	UAWINIRVYOGVRL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C1(CC2CC2)CC1	2069511314	NFBAIWIGNKSJMU-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc2c(c1)N[C@](C)(CCC=C(C)C)O2	2070402161	DDFNIECLUSCXPC-INIZCTEOSA-N	245.366	4.516	0	10	BJAE	
c1cc(NC[C@]23CCC[C@H]2C3)cc(C2CCC2)c1	2070805018	SPPFVBNCUOBHKH-DOTOQJQBSA-N	241.378	4.556	0	10	BJAE	
CCCCC[C@](N)(CC)c1ccccc1C1CC1	2073343326	ZYOLWHHKTSEGMT-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
CCCC1(CC(=O)c2ccc([C@H]3C[C@H]3C)o2)CC1	2074601234	NHTUZMUUVRZVJH-NEPJUHHUSA-N	246.350	4.556	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@]2(C)C=CCCC2)CC1	2074653073	KHVYPSPHUJPRPL-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2C[C@H](C)c3ccccc32)C1	2074893226	SHPNZBUSQPXQIM-RRFJBIMHSA-N	243.394	4.579	0	10	BJAE	
CCCCc1ccc([C@@H](O)CCCC2CC2)cc1	2077927045	ADQWCLCSGHUEBK-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2079482001	CPDNYWKRDNZWJK-HZPDHXFCSA-N	248.410	4.908	0	10	BJAE	
O=C(CC1CCCCC1)[C@@H]1C[C@@H]1C1CCCCC1	2079491244	HYAZNMAQOPLZHE-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@H]1C[C@@H]1C1CCCCCC1	2079493185	WDZGYUSZIQAKIM-JJAZEVLHSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1cccc([C@H]2CCCCCC2=O)c1	2083550865	RROCAVQOEAIHMT-OAHLLOKOSA-N	244.378	4.601	0	10	BJAE	
CCN[C@H](CC1CC(CC)C1)C1=CCCCCC1	2084989000	MUVNLOWNERZDQJ-VMBOVVBDSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(CC)NCCCCCCC1CC1	2210526902	KWJKWAVEOZVKBN-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
C[C@H](CCC/C=C/c1ccccc1)C(F)F	2210663267	ZPRJWZXJCUEXIN-BIPYJSMBSA-N	224.294	4.771	0	10	BJAE	
CCC(CC)C(CC)(CC)CN[C@@H](C)CC	2212587789	LTXAPZOTSUNZOT-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)cs1	2213291949	INPMRFXJYPHMNZ-WDNDVIMCSA-N	249.423	4.685	0	10	BJAE	
CCC1(C(=O)CCCCCCC2CC2)CCC1	2213577775	FUTJHWHKWUGSEX-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
C(=C/c1ccccc1)\C[C@@H]1[C@H]2CCCCC[C@H]21	2213825252	RDLRJDGBRLQXOP-IRXMDPCVSA-N	226.363	4.916	0	10	BJAE	
CCCC[C@H](C)[C@H](CC[C@@H]1C[C@H]1C)NCCC	2215301688	OJDSMESJLHWCNT-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1cccc(C(C)C)c1	2215314876	VGXDAVZBSOBQFR-UKRRQHHQSA-N	231.383	4.658	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC[C@H]2C[C@@H]2C)CC1	2215331536	LAZBLOIUMMHJFN-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CCCCC(F)F)CNC	2216432944	ILOJLDFOTBHXER-CQSZACIVSA-N	249.389	4.618	0	10	BJAE	
CCC(CC)(CNC1CCC1)[C@H](C)CC(C)C	2217153098	JOQCALJDGLGOOJ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218348896	DCLIHYGXTMFJJA-SHMQSGJSSA-N	249.442	4.537	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1C[C@H]2CCCC[C@@H]21	2218718063	KBIAUEIQEJZYHE-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCCCC1CC1)C[C@H]1C[C@H]1C1CC1	2218733931	YZUURFQFJBMSPE-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(N)(C1CCCC1)C1CCCC1	2220858690	GKOYXMHNKUYJPS-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC1(CNc2ccc(CF)cc2)CC2(CCC2)C1	2221036703	VESIUHIUKWFXOI-UHFFFAOYSA-N	247.357	4.538	0	10	BJAE	
CC1=CC[C@H](CNC[C@@H]2CCCC(C)(C)C2)CC1	2221631725	OEAUXBZDTKLGSM-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC[C@H]2C[C@@H]2C2CC2)CC1	2221646985	YQFVMQYMSHRFPY-UXLLHSPISA-N	246.394	4.518	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC2CC2)CC=C(C)CC1	2221654877	QCGFDRODKJIBEF-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)c1c(C)cc(C)cc1C	2221997923	DHDGQKSMJYAFPV-QGZVFWFLSA-N	246.394	4.566	0	10	BJAE	
CCCC1(NC[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	2222916136	IWMBNRZVIHEWLC-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C(CCCN[C@H]1CC[C@H]1C1CC1)CCCC1CC1	2223115012	DLRQDZUVGMCFEA-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)[C@H](C)c1ccc(C)cc1	2223966535	ABHMDBSMTWCONO-ZBFHGGJFSA-N	247.426	4.513	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)c1ccc2occc2c1	2224158993	RHKNDSIRNJJERK-SWLSCSKDSA-N	245.366	4.505	0	10	BJAE	
CCc1cc(Cl)ccc1C(=O)C(CC)CC	2243655812	FVEYDMGFSLPHFC-UHFFFAOYSA-N	238.758	4.521	0	10	BJAE	
CCC[C@H](C)C(=O)CCCCC[C@H]1C[C@H]1C	2243886629	WGJYCWLMAJEGTL-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](O)CC(C)C	2244840488	JXXQESNEPHROFM-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
CC(C)C[C@H](O)CCC[C@H]1CCCCC12CC2	2246617928	PUEHBXFCDMXARV-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@H](O)CCCC[C@H]1C[C@H]1C	2247157559	DLBRZQXRVNJUIJ-VNQPRFMTSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCCC[C@H]1C[C@H]1C	2247160118	RLTVREZNWUCBDU-FXUDXRNXSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@H]1CCC12CCC2	2247394394	NXUWSQNENASZOS-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](NC(C(C)(C)C)C(C)(C)C)C1	2247717510	KGZPXWWQIJTKAW-LBPRGKRZSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)CCC1CCC1	2248817387	VJIQHTSTFAGCBM-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cc(C2CC2)ccc1F	2250120985	MTRZFYDYFIUWFD-GHMZBOCLSA-N	235.346	4.550	0	10	BJAE	
CC1=C[C@H](N)[C@@H](CC[C@@H](C)CCCC(C)C)C1	2250480673	HGZJGIVKWQKHOD-BPUTZDHNSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@@]1(C)C=CCC1	2250492709	XABQHKAMRSKECW-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)C[C@H]1C(=O)C(C)(C)CCC1(C)C	2251719660	BZWIQVYAYLQWDN-OLZOCXBDSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CC1CC1)C[C@@H]1CCCCC12CC2	2253815825	WIQWTXODOUIGEW-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)NCC1(CC[C@H]2CCCCC23CC3)CC1	2253861834	GKUIZEHQGWRJLM-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CC2=CCCCC2)CC1	2255090614	BMZOEUQRHSAEQI-WBVHZDCISA-N	249.442	4.955	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC12CC2)C1CCCCC1	2255223149	BVPUDBGDBZRBPC-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@H]1CCCC12CC2	2255232163	FBNXIOPVUNRYKB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC[C@H]2CCCC23CC3)C1	2255271733	XKEKMSXPERIDCV-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc([C@H](N)CCCC2(C)CC2)cc1	2256299246	BBUSGGCRXVJLPQ-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@]23CCC[C@@H]2CC3)CC1	2260573917	KBEVDNUAZRUNSW-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@H]1CC12CCCC2	2300497521	UQBGEKXKGKYKGS-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)CC1CCCCCC1	2301134154	VAGKYVYDMCHJCL-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CC(C)CNCCC=CCC1CCCCCC1	2301236909	QMHDMZDIUIENKF-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC1(CC)CCCN([C@H](C)[C@@H](C)C(C)C)C1	2301966622	DBSLMHDJLFUDFA-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCN(C1CCCCCC1)[C@H](C)[C@H](C)C(C)C	2301968299	PXNKZWPZXRQPLO-HUUCEWRRSA-N	239.447	4.712	0	10	BJAE	
C[C@H](CC(C)(C)C)NCCCC1=CCCCC1	2302308426	AGFHIPMLUFHIAP-CQSZACIVSA-N	237.431	4.681	0	10	BJAE	
C[C@H](NCCCC1=CCCCC1)c1ccsc1	2302314850	BOJSPJBZLLMOOI-ZDUSSCGKSA-N	249.423	4.679	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CCCCC1CC1	2302581112	YGSHQNSSCFZFAW-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CC[C@@H]1C(C)(C)C	2303376131	QFNITCQDPOTICZ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1CCC(CC)CC1	2307892839	KCPKTKLMXXZHRK-GRAKBVBRSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)c1ccco1	2307899451	BSSHRVGOIUNVCI-KBPBESRZSA-N	237.387	4.537	0	10	BJAE	
N[C@H](C[C@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCCCC1	2309145407	HGYKPUOUFDYNTJ-PQEBFOHHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309180782	KMFKCSVLPQREIK-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C[C@@H]2C[C@H]2C2CCC2)CC1	2311515196	CSZXNNZMOZHBOZ-HJWJTTGWSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)[C@@]12CCCC[C@@H]1CC2	2313296179	WHWJGIXCSYPGIT-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](C)(O)CC(C)(C)Cc1ccccc1	2317224589	QRVILQFFKIDXMA-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)CCCC1=CCCCC1	2318539476	GXHBGKFQIACAFE-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)CCC=CCCC1	2318570106	VOSADGFSMQCXJE-KRWDZBQOSA-N	247.426	4.875	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@H](CCCC2=CCCCC2)C1	2318582789	HWAOVDDZEWQQGX-UAGQMJEPSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C[C@H]2CCC(C)(C)C2)c1	2319024954	SWSNYTRGMFOTIZ-GDBMZVCRSA-N	245.410	4.520	0	10	BJAE	
CC(C)c1cccc([C@H](O)C2=CC[C@H](C)CC2)c1	2320517381	QFKVQYQTJVHRRP-SUMWQHHRSA-N	244.378	4.590	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H](C)[C@@H](C)C(C)C)c1	2320570586	OLLQTRXUXDERQC-KBPBESRZSA-N	246.394	4.921	0	10	BJAE	
CCCC1(NCc2cccc(C(C)C)c2)CCC1	2320633982	UDJSAQBMKOZPIV-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)C1	2321621298	DVDLNALYLSIGRU-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccccc1C1CC1	2328271333	GUWZLYXUUZNZBM-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@H]2C)c(Cl)c1	20471327	HLDYQEYUFGRJGK-YPMHNXCESA-N	237.774	4.639	0	10	BJAE	
CCC[C@@H](C)CNc1ccc(C(F)(F)F)cc1	20553540	KOIQVPYTVIBSTO-SNVBAGLBSA-N	245.288	4.554	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)CCc1ccccc1	21031210	IMVWBBMFHDECAZ-JKSUJKDBSA-N	247.426	4.566	0	10	BJAE	
C[C@H](Nc1ccc2[nH]ccc2c1)C1CCCCC1	37230537	LHMNISNPVLJQOV-LBPRGKRZSA-N	242.366	4.549	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@@H]1C(C)(C)C)C(C)C	37271878	XTCBMOMMTCNURE-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](c1cc(C)ccc1C)[C@@H](C)C(C)C	70123567	QIKWEUHGFVVKIP-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1cc(C)cc(C)c1	70977632	XOERPJACEIPENX-GDBMZVCRSA-N	231.383	4.684	0	10	BJAE	
CCC[C@H](C)CN[C@H](CCC)c1cccs1	71105509	OEZITRCWQMSERY-QWHCGFSZSA-N	239.428	4.615	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCCC[C@@H]1C	83948797	XWKLEOVIRNMNQC-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@@H](CC)CCC1C[C@@H](C)C[C@@H](C)C1	84958334	WKHUVENDABEXFU-QXULXFAOSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(O[C@H]2CCC[C@H](CC)C2)cc1	85150835	QPVZQMZKQZJENE-HOCLYGCPSA-N	232.367	4.597	0	10	BJAE	
CCN[C@H](c1ccc(C)o1)C1CCCCCCC1	86579466	FQBBLTNITVPCDO-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CC(C)(C)CN[C@@H]1CCC[C@H](C(C)(C)C)CC1	86957426	GIWHFHTVSXEMAG-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc2oc([C@@H](N)C(C)(C)C)cc2c1	88076541	FLBVMLHAGUSOIJ-OAHLLOKOSA-N	245.366	4.602	0	10	BJAE	
COc1ccc(C)cc1-c1ccccc1C(C)C	90548027	HXJQUIKDWMBSFI-UHFFFAOYSA-N	240.346	4.794	0	10	BJAE	
CCCN[C@H](C(C)C)[C@@H]1CCCC(C)(C)CC1	92599640	TZRGULNZRQKCGD-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C/C=C\[C@@H](C)Cc1cc(Cl)ccc1Cl	107564410	IOENIGMDJCPHIP-ZBJFTSOASA-N	229.150	4.748	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CCc1ccccc1	109728767	KKUHOUOTYRGHCD-NVXWUHKLSA-N	247.426	4.553	0	10	BJAE	
Cc1cc([C@H](C)NCCC2CCCCC2)c(C)o1	109897671	ZCIBZMHNRIMSOF-ZDUSSCGKSA-N	249.398	4.517	0	10	BJAE	
CCCc1cccc2c(Cl)c(C)c(CC)nc12	110471359	IWQWUOVNUAVEFO-UHFFFAOYSA-N	247.769	4.712	0	10	BJAE	
CCCCCC[C@H]1CCCc2ccccc2[C@@H]1N	110517913	QLMYIPJWHHQCES-DOTOQJQBSA-N	245.410	4.609	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](CCC)CC[C@@H]1NC	111235562	JBJZJIAAFCNMLL-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCc1cccc(C(=O)C[C@H](C)C(C)(C)C)c1	127544254	VWDRIKNYUDRRDZ-ZDUSSCGKSA-N	246.394	4.894	0	10	BJAE	
CCC[C@H]1CCC[C@H](N[C@H](C)c2ccco2)CC1	160777263	SJMRSVPBZAIEHT-ILXRZTDVSA-N	249.398	4.679	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)CC2CCCCCC2)c1	166805847	BOKPDNQCFUGZPS-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CC[C@@H](C)[C@@H](C)C1	221373991	CDFNDGLIHJBWCS-ZVDSWSACSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1NCC(C)(C)C1=CCCC1	308754962	JSFSOIOKMAANRV-IJEWVQPXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)CCC(C)(C)C)C1	309488849	ZAABPMBKILSPCZ-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](CC1=C[C@@H](N)CC(C)(C)C1)C1CCCCC1	310885826	SKUCIUOYYWZSLP-XJKSGUPXSA-N	249.442	4.667	0	10	BJAE	
CCCNCC1([C@H]2C=CCCC2)CCCCCC1	317264053	ZRRHZVUNSLJSCL-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
C/C=C\CC1(CNC2CC2)CCC(CCC)CC1	317552682	BCQXIDPYOVGVGZ-HYXAFXHYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)(C)C)[C@@H](C)C(C)C	319788587	HSBZUWMFBLSMFK-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H]1C[C@H](C)c2ccccc2N1	320118792	ITRLYNNKFJNKLD-QCQGSNGOSA-N	231.383	4.657	0	10	BJAE	
CCC(CC)[C@@H](CC/C=C/c1ccccc1)NC	324318038	UEFQFZKBGXHTQV-JZUUQJBKSA-N	245.410	4.504	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1C[C@@H](C)c2ccccc21	381411822	YVCJSFSIUTWJSM-IIYDPXPESA-N	245.410	4.649	0	10	BJAE	
CC[C@H](N[C@H](C)CC(C)(C)C)c1cccc(C)c1	384446058	HXBYRAUYNJRACQ-ZBFHGGJFSA-N	247.426	4.860	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCC[C@@H](C)C2)ccc1F	385266778	CMSCWUKJELBEIF-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
CCc1ccc(N[C@@H](CC)C2CCCC2)cc1C	387510794	FNZARQKJVUQLQL-KRWDZBQOSA-N	245.410	4.938	0	10	BJAE	
CCCC1(CN[C@@H]2CCC[C@H](C3CC3)C2)CCC1	391776381	JXJXWWPKHPWRDK-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H](Cl)/C=C\c1c(Cl)cccc1Cl	393549979	BYZLUGSHZPFAAZ-RBSILHGTSA-N	235.541	4.634	0	10	BJAE	
CC(C)(C)C(C)(C)NCCC1CCCCCC1	394559936	FMPOAKWELXNYMY-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CSc1cc2scc(C(F)F)c2cc1C	396403260	HSJLZUQHJZOBKS-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@@H](Nc1ccc2ccccc2c1)[C@H]1CC1(C)C	397645924	ZIACRQPHAXJAMV-MLGOLLRUSA-N	239.362	4.686	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H](C)C1CCC1)NC	398695821	IDTYZAXFJFRTIV-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H]1CCC[C@@H](CC)C1	400464601	NJBJMUACFMCLIV-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCCC(=O)C1CC(C)(C)CC(C)(C)C1	688306772	AGFZHRLKTMKAQY-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCc1cc(NC2[C@@H](C)CCC[C@@H]2C)ccc1F	690102776	QJGIYXSCNZTYIU-RYUDHWBXSA-N	249.373	4.625	0	10	BJAE	
CCCCCC(=O)C(CC)(CC)C(F)(F)F	690276195	BJJQRZOOBCJSQQ-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CC(C)NCC1(CCC2CCCCC2)CC=CC1	690484661	MMWKCQRIOXEJFJ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CCC(C)(C)C	691170744	WDDYFCMELAINBW-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CCCC(C)C	691172818	YFLKWRSCPXRAKX-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC1(C)C	691188630	SKRRQFRGABGONG-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](NCC1CCC2(CC1)CC2)C1CCCC1	695731871	VJYQRFYPDDOPGN-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)[C@@H]1CCCC2(CC2)C1	696489914	GRYUPCQVQCXHKR-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)CC)CC=CCC1	696734770	LCXWBBPNJFICMT-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@@](C)(O)CCC(C)(C)CC	696803033	NXWAUWLCMDVXRY-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CCCC[C@H]1C	697759767	UIJAWCDPTGPYPM-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1ccc(C)cc1F	697774390	AGVGRUBYKUMTBW-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@@H]1CCCC[C@@H]1C	704843953	IZPTZMXIRUPDGO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(N)CCCC12CCCC2	707766129	CNKCXMLQCFUTOI-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)[C@@]23CCCC[C@H]2C3)c1	709115102	RPQQIWDWCJGDJJ-VYDXJSESSA-N	243.394	4.684	0	10	BJAE	
C[C@H](CC(=O)[C@]12CCCC[C@H]1C2)CC(C)(C)C	709210365	HPXZYFBNNPOTDL-WWGRRREGSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](NCCC)C12CCC(CC1)CC2	710264786	ZMUJDMANQJKYKC-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC23CCCCC3)cs1	710729757	MSVACUZOAZQEMW-CQSZACIVSA-N	249.423	4.971	0	10	BJAE	
Cc1cc(N[C@H](C)c2ccc(C)c(F)c2)cs1	710729804	TXYHYIDEYHCPNL-LLVKDONJSA-N	249.354	4.677	0	10	BJAE	
CC[C@H](CC(=O)CC1(C)CCC1)C(C)(C)C	711180897	SQJANPGTUXTZOG-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC(C)(C)C(C)C	713189453	IMPHJQKQSZPEMM-ZIAGYGMSSA-N	227.436	4.602	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)CC(C)(C)C1CC1	713240906	FAXOASJMWWAUQO-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CC[C@H]2CCCC[C@H]21	714304935	QZGLKXCJOZVUMT-ZJIFWQFVSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(CO)CCC=CCC1	718058883	QOPKTSGPHJAWNQ-AWEZNQCLSA-N	238.415	4.558	0	10	BJAE	
CN(CCC1=CCCCC1)C1CCC(C)(C)CC1	1644782948	JWBGLJLLYGTCCN-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
Cc1cc(SC(C)(C)C)ccc1Cl	1775954447	JJWAHQYZSZPNJZ-UHFFFAOYSA-N	214.761	4.539	0	10	BJAE	
CCCC[C@@H](CC)C(=O)[C@H](C)CC1CCC1	1899390273	SXNKPZFDNWHJJY-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](C)CC(C)(C)CCC(CC)CC	1900701861	NFWZORSBNDAZNM-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@](C)(O)SCC1CCCCC1	1904796812	WXRMQSPNAWZGNO-CQSZACIVSA-N	244.444	4.589	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@H]1C[C@H]1C(C)(C)C	1910696025	KPAHEPZIFMKIHQ-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C=C1[C@@H]2CCCN[C@@H]2C1(C)C)CC	1911824373	VJQFGQNHKFOWGX-YCPHGPKFSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@@H](C)c1cc(Cl)ccc1OCC	1912136540	ASNMLDRTBAJRAJ-LLVKDONJSA-N	238.758	4.808	0	10	BJAE	
CCc1cc(NC2CC3(CCCC3)C2)ccc1C	1912728934	PBMIDUZYBNDMPH-UHFFFAOYSA-N	243.394	4.692	0	10	BJAE	
O[C@H]1CCCCCCCC[C@@H]1C1CCCCC1	1913403451	JPIZBFKUVFIRPR-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1[C@@H](N[C@H]2CCC3(CCCC3)C2)CCC[C@H]1C	1916432108	XQRIHZQPUMETEO-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C(=O)CC(C1CC1)C1CC1)C1CCCCC1	1924099708	SKOCPKQPWVWFAU-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H](C)C1CCCC1	1924125466	NLUVMYAUCGSTJD-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)c1ccc(-c2cscc2N)cc1	1925106325	VZHVCDXEUVLDFX-UHFFFAOYSA-N	245.391	4.685	0	10	BJAE	
C1=C[C@@H](C[C@@H]2[C@H]3CCCC[C@H]32)CCCC1	1925814830	PQJCQGRJGAYDLQ-KBXIAJHMSA-N	204.357	4.559	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCCC1)C1(C)CCC1	1925897999	LRGMPFNAYWUYTE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)c1ccsc1	1925934889	OMWILJLGTZYPCD-DZGCQCFKSA-N	249.423	4.535	0	10	BJAE	
CC(C)CC[C@](C)(N)CCCCCC1CC1	1936430683	VIOKQOKXVGFMLL-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCCC(=O)CC[C@H](CC)CC(F)(F)F	1939119929	XXFDOFJZOMTOEM-JTQLQIEISA-N	238.293	4.505	0	10	BJAE	
CC(C)(C)CC(=O)[C@H]1CCCC(C)(C)CC1	1939899514	LGPXXUSJOPFROI-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)CC(C)(C)C(C)C	1940790241	KXWVZEYEIFSDJB-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)[C@H](CC(C)C)C(C)C	1941266318	DEEOYWOAMRLSIJ-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(O)CCCCCC1CC1	1941579737	REEYATQRYFQCSG-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCN[C@@]12CCCC[C@@H]1CCC2	1944194440	KXVQJGNFHPLKCW-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC)C(C)(C)C1CCCC1	1944641595	MAQIADXHZADKFK-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC1CCC(C)(C)CC1	1947462926	DIZVFCSEQIGYBL-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
C1=C(CNC2CCCCCCCCC2)CCC1	1947865605	XEUATBHYCUWGQF-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
CCC1(C[C@@H](N)C2(C)CCCCCC2)CCC1	1948983758	HUMZZPOGRVUZJB-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C[C@@H](O)[C@@H]1CCC(C)(C)C1)C(C)(C)C	1949420970	JPHYXTDMBXZQBB-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CNC2(CCCC2)C1	1949543276	KOEGCJBUUFETHE-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)(C)C(=O)C1	1949656007	KWNGUPPIXMLPGP-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CC12CCCCC2	1950603796	DPKHWMRNZFSUPL-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](O)CCC2CCC2)CC1	1950913186	FIBKKSBPWCUMLB-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@H]2CC2(C)C)CC1	1950921088	BNZWTJJFBJQDQE-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC=CCCc1cc(C)cc(C)c1OCC(C)C	1951308432	GVHNPEKWRMBQOA-UHFFFAOYSA-N	246.394	4.847	0	10	BJAE	
C[C@@H](CN1CC[C@H]1CC(C)(C)C)CC(C)(C)C	1966541029	ULUJEUFELSDKKY-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H](C)CCC1CC1	1968341971	SQRZYQISWIAGRL-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2CC[C@@H](C)C2)cc1	1968401824	QOAATWJXCUMINP-KGLIPLIRSA-N	232.367	4.625	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)CCCC(C)C)c1	1968594587	GCXWYPVAKDMRLB-CYBMUJFWSA-N	237.362	4.761	0	10	BJAE	
CC1CCC(CN[C@H]2CCCC3(CCC3)C2)CC1	1969004536	CHEIFZACMTWNNU-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
C[C@H](Nc1ccc(C2CCC2)cc1)C1(C)CCC1	1969958534	KQDDUKVERKTSOE-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
C[C@@H](Nc1ccc(CCF)cc1)C1CCCCC1	1970092356	GKOCBAPEJTWFHO-CYBMUJFWSA-N	249.373	4.579	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCC12CC2)c1cccs1	1972725852	SAOCOMHCMOWWMC-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
CC[C@H](C)CC1(N)CCC(CC)(CC)CC1	1981061606	XNONJOXWKDFFDW-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
C/C=C/CCCNc1cc(C)c(F)cc1Cl	1984612542	NVBXDMOEXRWRDV-ONEGZZNKSA-N	241.737	4.556	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@@H]1CC[C@@H](C)C1	1996250465	PJIPKSMAAUTINS-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CCCSc1ccccc1N[C@H](C)C1(C)CC1	1996572320	CRAKVWXTJKXKJJ-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CC1(C)CC(O)(CC2CCCCC2)CC1(C)C	1997808584	KHFAYKIIPYSZBI-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)C1CC(C)(C)C1	1998648245	CIXJSFARZGBJKI-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C[C@@H]2CCC=CCCC2)C1	1999984159	VDXJBFWRJKVOMQ-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1CCC=CCCC1	1999998650	LACLVCMJUUNVMC-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)[C@@H]1CCCC(C)(C)C1	2000104102	GRFNTMKKTVMHNV-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CCC(C)(F)F)C(CC)(CC)CC	2000372034	KOBJIEUFKHTVSH-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@H](C)[C@H](C)CC	2000519386	CFIZUVHEZDTZSG-BZUAXINKSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@H]1[C@H]2CCCCC[C@H]21	2002206740	FHKPPPWKCATXLD-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCC)C1CC(CC)C1	2002310111	ZREUSZZPZQNPNN-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](O)CC2(C)CCCC2)C1	2002972216	PXKRYVWYHFMKED-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCCCCC[C@@H]1CC(C)(C)C	2003115892	FFPQIABYKOYTIS-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H]1CCC2(CC2)C1	2003210532	FVSRALVRAHKVOB-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
C1=CCC(CC2(c3ccccc3)CCCC2)C1	2005776160	ILZKDUPDWFJWGI-UHFFFAOYSA-N	226.363	4.855	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](CC)C[C@H](NCC)C1	2006631503	MAPMQRYNTHZUCF-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](O)C1(C)CCC2(CC2)CC1	2007687047	BXLTWRQFBVWTHK-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(O)CC1CC(C2CCC2)C1	2007764649	XUWFDZLEPSNKLB-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@]1(N)CCCC[C@@H]1C(C)(C)C	2009569931	VBPTZICGGWDDGC-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H](C)CC(C)(C)C	2009633733	BMPXJBUKWQYCKE-LPXAQJHASA-N	239.447	4.783	0	10	BJAE	
Fc1ccc(Cl)c2[nH]c(-c3ccccc3)cc12	2009657396	ZMBJJEFODYUSFC-UHFFFAOYSA-N	245.684	4.627	0	10	BJAE	
CCCCCC1CC(NC[C@@H](CC)C(C)C)C1	2009716379	SHKROWPTUJKKRM-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1CC(NC(CCC)CCC)C1	2009792193	VUKUWUCZCWHAIQ-UHFFFAOYSA-N	239.447	4.904	0	10	BJAE	
Cc1c(Cl)cccc1NCC[C@]12CCC[C@@H]1C2	2010994861	KCJGWPUPIUKDNN-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CCC(CC)(CC)[C@@H](C[C@H](C)C1CCC1)NC	2011186587	LCHLHFMOTIOXQM-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](NCC)CC(C)(C)C1	2012062441	POACUPZIVZVWBB-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1CC12CCCCC2	2013267288	PIFYHMUNQXUWCS-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@@H]1CCC[C@H](C)C1	2013311335	ICEBQZXSWCGWDQ-ARFHVFGLSA-N	239.447	4.712	0	10	BJAE	
C[C@@H](NCCCCCC1CC1)C1(C)CCCC1	2014358939	OLFMNJDYELSLSR-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(CC(C(C)C)C(C)C)C1CCCC1	2015278422	NZQXARJBGQHZEN-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CCNC[C@@H](CCC(C(C)C)C(C)C)C(C)C	2015343106	BOZZDRWSLTXHNA-OAHLLOKOSA-N	241.463	4.577	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(=O)C(C)(C)C1CCCCC1	2016445686	IMSMONDDELVPSM-LRDDRELGSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)CC1(C(C)(C)C)CCC1	2017126035	VRJQABPOSQDYEE-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C2CCCCC2)CC1	2017656346	WFCTWWQIDANZJI-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC(CCC(=O)C(C)(C)C)CC1	2017763685	CIGAPYBVLALCKY-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@H](CC)CC(F)F	2018183804	ZRQZHBBPEAVOMD-CHWSQXEVSA-N	249.389	4.568	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@]12CCCC[C@@H]1C2	2018577298	HNDYOLKSAPBUNB-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@]2(N)CC(C)(C)CC[C@@H]2C)CC1	2018985741	SQXDYQGXUQUFON-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@@H]1CCCCC1(C)C	2019414596	UVTXSSRMZAPLGV-HUUCEWRRSA-N	239.447	4.712	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCCCC[C@H]2CC)C1	2025595729	GIQFJUNZTCCLEW-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC1(C)CC1)NCC	2026061109	NQIYZNFPYXFRIW-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@@H]1CC=CCC1	2026167057	OMLUAKVANFDAEV-ARFHVFGLSA-N	237.431	4.667	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)CCC=Cc1ccccc1	2027000821	XXIJZHFWWKMUIV-JKSUJKDBSA-N	245.410	4.503	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C[C@H](C)C1CC1	2027626932	SPYMRSNOMHAGHC-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCc1ccc([C@H](O)[C@@H](CC)C(C)C)cc1CC	2028230915	ZFEZWJDWYLDOCV-IRXDYDNUSA-N	248.410	4.527	0	10	BJAE	
Cc1ccc(F)c(C(=O)CCCCCC2CC2)c1	2028631961	UOUCWZSYGYYCGG-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CC(=O)CC1CCCC1	2029174532	PUZAUPZOYWXLMJ-OFQRWUPVSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2030243638	YHHFUKVTBCRZBQ-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@](C)(N)c1ccc(C2CCCC2)cc1	2031751568	FLEQHORUCHGFGB-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@]12CCCC[C@@H]1CCC2	2031754023	GGBIHOTTWYJGAX-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C1CC1)C1=CCCCCCC1	2032161780	UJCQQLUAZWAHRO-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCC1)C1(CC(C)C)CCCC1	2035599556	NFNSLVNGHBCLTO-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CCc1ccccc1C(C)C)NC	2036492385	RSUKJTKDPBVECW-MRXNPFEDSA-N	247.426	4.521	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C2=CCCCCC2)CC1	2037094848	UWKHEBFUSXRAMU-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCCc1ccccc1[C@@H](N)C(CC)(CC)CC	2037115786	PAOLDHTWAUZSQE-MRXNPFEDSA-N	247.426	4.855	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)C[C@@H]1C=CCCC1	2037307693	UVEZUYGXKJSRNJ-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CCCC[C@H]1CC1(C)C)c1ccccc1	2038134926	UERUSQNMUVWALP-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
CNC[C@@]1(C2CCCCCC2)CC12CCCCC2	2039004162	XSHHXONPPOZBMN-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@H]2C(C)=CCC[C@H]2C)C1	2039437205	RSDYSGQUVJRHGW-UUAJXVIYSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@@H]2CCCC23CCC3)CC1	2041378922	HRAKWWZEZFUJDR-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@H]1C)[C@]1(C)CC=CCC1	2042022307	PRYKHRMRJPLVRK-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NC[C@@]1(C)CC=CCC1)C1(C)CCCCC1	2042067231	HTBQMVXBTDYPIO-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(OC[C@@H]2CCC=CCCC2)c(C)c1	2045312802	QYMIAXKDFQJEKT-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@H]2CCC=CCCC2)C1	2045327747	XZNYGBVIEULKNH-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)C[C@@H]2CCC23CCC3)C1	2047932598	NPFHOLLWDWCHFV-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)C[C@H]1[C@H]2CCCC[C@H]21)C1CCCC1	2048470603	SUOXZSPZGCMIIX-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@H]1[C@H]2CCCC[C@H]21	2049202406	FQSAOULGEUATSE-SCAQPMJSSA-N	244.378	4.686	0	10	BJAE	
CCCC1([C@@H](C[C@@H]2CCC3(CC3)C2)NC)CCC1	2049852584	CFVJDNDLIUMVFC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CCC(C)CC1)[C@@]1(C)C=CCC1	2050009485	YMBSGIPVXMREDW-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
N[C@@]1(C[C@H]2CCC=CCCC2)CCCCC12CC2	2053311995	ZVYLJGZMTLQHAW-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC(C)NC[C@]1(C2CCCC2)CCCCC12CC2	2053357435	NNHBVEWEDGFAML-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@@H](NCC2CCC(C)(C)CC2)CCC1	2055551897	KCKVFIHOPBLEAU-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCC3(CCCCC3)C2)CCC1	2055553576	AEUGPQGTJKGZED-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
C[C@H]1CCC=C[C@@]1(N)C1CCC(C(C)(C)C)CC1	2055567564	YTIJHWKPBXPXQG-GIOUXUJVSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](c1ccccc1)C1(C)CCC(C)CC1	2056560215	ZLRHFSKTUDMTEC-WIHSUSGWSA-N	245.410	4.554	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H]1CC[C@@H](CC)C1	2056875325	FUJQNHMJRNLNPF-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C[C@H]1CC1(C)C	2056880981	GBJZRORFYNJWMS-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](N2CC[C@]23CCCC(C)(C)C3)C1	2058157385	XULDYOBVZUFXPA-PBHICJAKSA-N	249.442	4.610	0	10	BJAE	
CCC1CCC(N)(CC2CC(=C3CCC3)C2)CC1	2061740535	ZUMMGYJTAJOVDS-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)c1ccccc1	2062640354	CDDAPCLJKFQCGJ-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CC2(CC(C[C@@]3(N)CCCC3(C)C)C2)C1	2063204833	UPDOIBHDXALGKW-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C1CCCC1)C12CCCC1CCC2	2063831804	YVZQLURZKYDVCJ-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CC23CCC(CC2)C3)[C@H](N)CC1	2065337215	KTRBRWADTWAUTP-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CC1(F)CC(CNc2ccc(C(C)(C)C)cc2)C1	2065815449	RKTXYYMMYHSWKB-UHFFFAOYSA-N	249.373	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)NC1CC2(C1)CC21CCC1	2065988915	YFCXEYNCDLMNRP-HPUBIQBYSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cccc(C(C)C)n1	2066354397	OAFNGLNTOIGLDP-CQSZACIVSA-N	248.414	4.832	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C[C@H]1CC12CCC2	2069208685	RIGDUOGIDSLUDN-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](NC)C2(C3CCC3)CC2)CCC1	2069338112	SOTNNKPTENBXJH-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CCCC1)C1(CC2CCC2)CC1	2069586431	CUYDWRYBVJJIMF-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(N[C@@H]2CCC3(CCCC3)C2)CCC1	2071881329	MQOPWRPMSFQJRE-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](NC)[C@]2(C)C=CCC2)CC1	2072794960	ZFRZSGVDAGLXQJ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=C[C@H]2CC[C@H](C)CC2)[C@H](CN)C1	2072818750	PPHVQTHJOAYROU-DZKIICNBSA-N	249.442	4.524	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2072881061	DARXRDBKLJKAFI-UIEKQHFFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CC23CCCCC3)[C@@H]1N	2076394933	GAKSMUIDQXDKCX-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1[C@@H](C2=CC[C@H](C)CC2)CCCC1(C)C	2076401359	KMBDHVXOSBEFJI-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]2C2CCC2)C1	2079327244	FPIFKMDNIJAUAS-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(CN[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079525407	AMXYZADPFXTFOE-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@@H]1C1CCCCC1)C1CC1	2079841954	LRNRTVDPMYSXBF-UKRRQHHQSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@@H]1C[C@H]1C1CCCC1	2079865331	OZNNWQWZTBZJKX-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2081137489	PTSJLOYNNGYPQO-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1[C@@H](N(C)[C@H]2C=CCCCCC2)CCC[C@H]1C	2081138380	VOYBBAAYVWATGU-QZWWFDLISA-N	249.442	4.632	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)CC2(C)CCCC2)c1	2082930087	MXUQPRDKZIINHS-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
CC1=C[C@H](NCC2CC(C)(C)CC(C)(C)C2)CC1	2082979716	PRWVLNHJLORFHF-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CC(C)(C)C2(C)C)c(C)c1	2084370874	KWHQFAVPABFQRJ-AWEZNQCLSA-N	245.410	4.848	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CCCCC1CC1)NC	2214568092	FPWHNQVIKXTVSI-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H]1[C@@H](N)CCCCCCCC1CC1	2216878186	TVENSRYWNFAIFD-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@@H](C)[C@H](C)CC	2217139770	XBCJQUBBLFFXEW-LVQVYYBASA-N	241.463	4.863	0	10	BJAE	
CC(C)Cc1ccc([C@@H]2CCCCCC2=O)cc1	2218638738	DIUXZCCXNRKASP-INIZCTEOSA-N	244.378	4.502	0	10	BJAE	
C[C@]1([C@H](N)CCCCCCC2CC2)CC=CCC1	2218721536	SGJFFXYOODNLCD-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1C[C@@H]2CC[C@@H]2C1	2218724796	KICRGMHAQBKWBM-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCC1CC1)[C@H]1C[C@H]1C1CCCCC1	2220006307	PBJDJZAQTMYIMJ-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C[C@@H]2CCC[C@H]3C[C@@H]23)C1	2221084079	PWDOHCXARXBRRF-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@]1(C)CC=C(C)CC1	2221622528	IGEMTNPDBPYZKF-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCCNC[C@]1([C@H]2CC[C@H](C)C2)CC=C(C)CC1	2221668452	PCCSQVICYVDCOC-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CC1CCCCCC1	2221992640	GBVIRNGHGBLHPY-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
C[C@H]1CC(=CCCCCCCC2CC2)[C@H](C)CN1	2223121413	IYMPLQFPCCTTAX-CABCVRRESA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC2CCC2)CC=C(C)CC1	2223552054	UIVQKRLMNKPQES-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCCC[C@]1(CNC2CCC2)CCCCC12CC2	2223564482	XHMGYAHTLODNOG-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CC(C)CCC[C@@]1(CNC2CCC2)C=CCCC1	2223596058	LAMZXRAAMYOPPC-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@H](C)C1CCC1)N2	2224122992	CUHKJJUBLFNNDC-XJKSGUPXSA-N	243.394	4.548	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@H](C)c1ccccc1	2224169818	TWQIKPHVRATRDY-INMHGKMJSA-N	247.426	4.724	0	10	BJAE	
CC[C@@H](C)[C@H](N)CCC[C@H]1CCCCC12CC2	2246628484	YKIJJPWLIPRIAN-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](N)CC[C@H]1CCCCC12CC2	2246631685	UTQCLKAFJVLCBD-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](O)[C@H](C)C(C)(C)C)C1	2246691440	IBTKLGXRBSPXMM-BARDWOONSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCN[C@H](C)CCC(C)(C)C	2247121506	IAASPNXCNAOVDJ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC[C@@H]1CCCC12CC2)NC	2247599863	GEYFBFAGUBKSII-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC[C@H]1CCCC12CC2	2247610993	QNRQXXKDFSACLV-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CC1CCCCC1)c1csc(C2CC2)c1	2248044036	GMUCKXMOVZDBMI-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CCCC1(C(=O)CCCCC[C@H]2C[C@H]2C)CC1	2248811196	ZLEDOXMYTJUXFS-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCN(CCCCC[C@@H]1C[C@@H]1C)[C@@H](C)C(C)C	2248836668	AHUMRJDOWBMKAU-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)CC(C)(C)C	2250467338	PPLTVEYLLFPUEM-OAHLLOKOSA-N	241.463	4.817	0	10	BJAE	
CC(C)CCNc1cccc(C2CCCC2)c1	2251228085	GJJFKQSGFZFKTH-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CC1(C)CC(C)([C@H](N)CC2CC3(CCCC3)C2)C1	2254121510	CVUIOVIQTNPWRZ-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1(N)CC2(CC(C)(C)C2)C1	2254586883	DSFMMZRMDYZORQ-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CC2=CCCCC2)CC1	2255047660	CSPYEADVAJEGPB-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC(C)=C(C)CCN(C)CC[C@@H]1CCCC12CC2	2255259524	FXRCIQKTFYDHLQ-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@@H](N)C12CCC(CC1)C2	2257303519	MNJWLCQOHGIYKZ-VPABYTGTSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(C(=O)CC2CC3(CC(C)C3)C2)C1	2259579106	AOWYQEBPIAYNMD-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1CC2(C1)CC(C(=O)C[C@H]1CCC[C@H](C)C1)C2	2259584707	YJDZBTUTTQPKBN-DSATXLGWSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@]12CCCC[C@@H]1CC2	2260486002	BGJHCTIEPKRDHX-NVXFWENBSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C[C@]12CCC[C@H]1CC2	2260589192	WTULVXFKFMSPCZ-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C(C(=O)C[C@@]23CCCC[C@H]2CC3)C1(C)C	2260613168	GFJMBPULPFCOJH-SJCJKPOMSA-N	248.410	4.598	0	10	BJAE	
CC1(CCNC[C@]23CCCC[C@@H]2CC3)CCCC1	2260627788	SICCZSHVUXQPOW-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@]23CCCC[C@H]2CC3)CC1	2260659835	ZNBKOUHOPCVHAQ-JKQORVJESA-N	248.410	4.742	0	10	BJAE	
C=C=CCC[C@H](NCC)C1CC(CC(C)(C)C)C1	2261196388	WUQUXSPYDIHRFF-GPANFISMSA-N	249.442	4.548	0	10	BJAE	
CCCCN(C1CCCCC1)[C@H](C)CC1CC1	2298896704	RPPYEDFRURJSIP-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H](CC(C)C)C(C)C	2300676539	PUFNXIIOLWOPRE-HOTGVXAUSA-N	241.463	4.848	0	10	BJAE	
CCC[C@@](O)(CCC(CC)CC)[C@@H]1CC1(C)C	2300679266	RHXXJCLRJZVDHL-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1C[C@H]1NCC=C(C)CCCC(C)C	2300864790	FKSWIPASJXFDAE-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(=CCC1=C[C@H](N)CCC1)CCCC(C)C	2300887829	KOALMQVXIDFNAR-MRXNPFEDSA-N	235.415	4.587	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H](CC(C)C)C(C)C	2300896951	NVPWXNXZYYKBCR-HOTGVXAUSA-N	239.447	4.639	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@@H](CC=C(C)CC)C1	2300900868	CJICAUZSYKBANS-OWCLPIDISA-N	237.431	4.524	0	10	BJAE	
Cc1cccc(OCCCC2=CCCCC2)c1	2302362079	VDWIVQFGEIVNPH-UHFFFAOYSA-N	230.351	4.654	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CC[C@@H]1C(C)(C)C	2303403108	XCLBTQAUKFQIJN-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](O)[C@H](C)CC(C)C)CC1	2303522786	MKELTKXPFSZNTF-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC[C@@H]1C[C@H]1CC	2303611680	JIZIMIPBUKKOCZ-KLHDSHLOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C(C)(C)C1CCCC1	2307843287	OFOJJKHNJZETIM-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CCCNCC1(C[C@@H](CC)CCC)CC=CC1	2307899666	RFEPVGJIBWMJDT-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@H]1CC=CCC1	2307900272	AKZNXIRQNFWTOP-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@]23CCCC[C@@H]2CC3)C1	2313313034	ITKXBWCDTHSWKZ-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@@]12CCC[C@@H]1CC2	2313314369	COJDAZUTUJHIOI-UAGQMJEPSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@](C)(O)c1ccc(C2CC2)cc1	2315941010	LOGISNWHPAPKHP-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC(=CCN[C@@H]1C[C@@H]2CC[C@H]1C2)CCCC(C)C	2316498903	IDKRNSKTLWLTSL-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1NCCCC1=CCCCC1	2318532404	XVQKKQOCAHXPDM-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)C1)[C@H](O)c1ccccc1	2319023524	FPZKXELOHNFCKP-YCPHGPKFSA-N	246.394	4.573	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@H]2C[C@@H]21)C1CCCCC1	2319254091	ZWLCEKIYIRJSMV-LUKYLMHMSA-N	249.442	4.514	0	10	BJAE	
c1ccc(NCc2cccc(C3CCC3)c2)cc1	2320610166	NQEGTYFBACUVLA-UHFFFAOYSA-N	237.346	4.566	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1cccc(C2CCC2)c1	2320649869	GXUUXORWPGRLBP-OGHNNQOOSA-N	246.394	4.670	0	10	BJAE	
C[C@@H](C(=O)[C@@H](CC1CC1)C1CC1)C1CCCCC1	2320697268	VTLOOVSZKOMVIW-WBMJQRKESA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCC23CCCC3)c1	2321086886	JFIORCOQOHFJDZ-OAHLLOKOSA-N	247.357	4.523	0	10	BJAE	
CC(=CC[C@@H]1CCC(C)(C)C1)c1ccc(N)cc1	2321604679	DVHLZLDKZFJMSE-CQSZACIVSA-N	243.394	4.889	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1c(C)cc(C)cc1C	2328272772	AJUMYSNRQIGQPB-HZPDHXFCSA-N	247.426	4.828	0	10	BJAE	
CCNc1ccc(/C=C2/C=Cc3ccccc32)cc1	17375744	HKPXXJPIYVIOTM-SSZFMOIBSA-N	247.341	4.686	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)C(C)(C)C)cc1	35469029	IUGVMYWRDWUGEH-WFASDCNBSA-N	233.399	4.507	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc2sccc2c1	37282524	KIZGJTIBXUCAOD-LLVKDONJSA-N	233.380	4.892	0	10	BJAE	
C[C@H](NCC(C)(C)C)c1cccc2ccccc12	40492436	SXKOLXCJXKZVQW-ZDUSSCGKSA-N	241.378	4.537	0	10	BJAE	
CCC[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC	59014240	PRUXPXFIRXLJNL-OLZOCXBDSA-N	247.382	4.575	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)[C@@H](C)c1ccccc1	68874091	ILUAMCVWURNBTM-UXLLHSPISA-N	248.410	4.758	0	10	BJAE	
CC(C)CC[C@H](C)NCCC1CCC(C)CC1	70538441	MCOOGAQINYEYOQ-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@H](N)CCC	70741829	OKDAWULMBQRCGL-ZIAGYGMSSA-N	213.409	4.501	0	10	BJAE	
CCc1cc2cccc(C(C)(C)C)c2nc1Cl	71175125	PALLVGKWVFUYCB-UHFFFAOYSA-N	247.769	4.748	0	10	BJAE	
CC1(C)CCC[C@H](NCCC2=CCCCC2)CC1	86894182	CEBGJQTYHKJWCR-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCCC[C@@H](NC)C1CCC(CCC)CC1	87963216	JXDZVTXNPXCAAX-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C1(CN)CCC(C(C)(C)C)CC1	94678060	DFFGCFBKMZWGGU-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](NCCC)C1CC1	103949332	DQQLTZDMEABSCK-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C/C=C\C[C@H](CC)c1c(F)cccc1Cl	107504944	LVFCBMWDGYMIJI-ATPLWMGHSA-N	226.722	4.939	0	10	BJAE	
Cc1ccc2oc(C(=O)C3(C)CCCC3)cc2c1	125732251	QBMIQVWNTWIBBV-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)C[C@@H](C)C(C)(C)C)C1	126086802	ZLWAEPLYPXIVMJ-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@@H](C)CC	126783388	RAXYTMBHDGTVOD-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)Cn1ccc2c(Cl)cccc21	129824755	IQNHLOHNJBEZLX-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
Fc1ccc(NC2CCCCCCCC2)cc1	150180020	XIWBWFWFWMIQGU-UHFFFAOYSA-N	235.346	4.741	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1NC1CCCCCC1	155837364	LDHWBTKPVSLIQL-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)C1CCCCCCC1	159023836	UEVONGAGDVWNLN-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC1(C(=O)O)CCCCCCC1	159163023	LGJOWHVZHOJORJ-UHFFFAOYSA-N	240.387	4.628	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H](C)c1cccc(C)c1	160203343	HSNJSOITKHCJKG-JLJPHGGASA-N	247.426	4.860	0	10	BJAE	
CCCCC1CCC([C@H](N)C[C@@H](C)CC)CC1	162423649	XGYWWEULOBIOPQ-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@]1(N)CCCC(C)(C)CC1	165689610	HXDVSYCHYQTQDF-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)c1cc(C)ccc1C	166801704	OHMCZAPWKCICCS-INMHGKMJSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](O)(C2CCCCCC2)C1	167599187	XHOZGSBOHBOJKK-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
Cc1nc2c(s1)CCCCCCCCCC2	196548077	RQRYFCLVPQJUKQ-UHFFFAOYSA-N	237.412	4.671	0	10	BJAE	
CCCCCCc1ccc(F)c(Cl)c1	196871993	AYLDHODLZTVQOI-UHFFFAOYSA-N	214.711	4.602	0	10	BJAE	
CCCCCC[C@@H](O)c1cccc(Cl)c1C	220548275	WOAJJQCOESUPTE-CQSZACIVSA-N	240.774	4.652	0	10	BJAE	
c1cc(-c2ccc3c(c2)NCC3)cc(C2CCC2)c1	229615215	FLNVSPJNVKAOBG-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)CC1CCC1	229739204	BTSSCIJEFAKDQA-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H](C)c1ccccc1	233913541	IWFRUKHYJPDESP-SQWLQELKSA-N	244.378	4.576	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@H](C)c1ccccc1	300471412	IJGCJYVMQYGTCG-UXLLHSPISA-N	247.426	4.595	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CCC(C)(C)C	300816358	GNGGBNLWUHFWLV-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@H](C)CC(C)C	302389143	QLZWDKXGSKJUAV-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC1CCCCCC1)c1cc(C)c(C)o1	302393243	NYTBFHGQHNCMSR-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
Cc1cc2ccc(Cl)c(C(F)F)c2s1	307128871	PGUZVKKTEFHVNW-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CSc1ccc2scc(C)c2c1Cl	307557100	KLELXGRIZVEGOL-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CC(CC)CC	308043634	DIURRFXQRXUFKD-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1ccc(C)cc1C	308111798	OSUBGWSFKGBDKS-AWEZNQCLSA-N	232.367	4.558	0	10	BJAE	
CSc1ccc(N[C@@H]2C=CCCCCC2)cc1	310069175	YKGDFSGLRSIWLO-CYBMUJFWSA-N	247.407	4.709	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)CC1(C)CCCC1	310204112	CLJKPVQEAIFYHI-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc([C@H](NC)C(C)(C)C(C)(C)C)cc1	311052098	ILEWKNDPSNZONT-HNNXBMFYSA-N	247.426	4.582	0	10	BJAE	
CCC[C@H]1CNCC[C@]12CCCCC21CCCC1	311096572	JIJWCGAUOPTOKO-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CCNC[C@@]1(CCC2CCCCC2)CC=CCC1	316833802	LVQMBNYTPKQXKS-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCNCC1(C2CCCC2)CCCCCC1	317210524	RLCDHEOTDFNWDJ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@H]([C@@H](CC)CC(C)C)[C@@H](C)C(C)C	319604985	XSUHOEXXZCVTDF-JYJNAYRXSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)c1cc(C)cs1	379065518	RDQMIWFIMDWQRP-WCQYABFASA-N	239.428	4.533	0	10	BJAE	
Cc1ccc(N[C@H]2CC3CCC2CC3)c(Cl)c1	381940344	VUVZQUUIEMZFTI-QOZQQMKHSA-N	249.785	4.639	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@@H]1CC12CCCCC2	387259877	KYZTXXSKEGIEIM-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H]1N[C@H]1CCC[C@@H](CC)CC1	388585707	HZHPYFHBPPPJEB-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCC/C=C(\CCCC)c1ccccc1N	390027128	SZPGDRBFHCSHHV-UKTHLTGXSA-N	217.356	4.643	0	10	BJAE	
CCCCCC[C@H](C)NCC1(C2CC2)CCC1	391506197	BXPMUBYFZHMYRB-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCOc1cc2c(C)csc2cc1C(F)F	396240091	KTJLMSQLRCTNGJ-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
COc1cc(Cl)cc2c(C(F)F)csc12	396288792	IVVCAMMIXSAALD-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
Cc1c(S)cc(C(F)(F)F)c2ccsc12	396310852	VDVMSRJBRSTTCP-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@@H](C)C(C)(C)C	399152406	GLDLEROEEYTHPB-CJNGLKHVSA-N	247.426	4.753	0	10	BJAE	
CC(C)(CCC1CC=CC1)c1ccccc1	686731780	FTELGUUUPNRKLD-UHFFFAOYSA-N	214.352	4.711	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H](C)CC1CCCC1	689827646	AGJDBOBSCXRWFQ-CABCVRRESA-N	239.447	4.760	0	10	BJAE	
CCc1ccc(NCC[C@H](C)CC)cc1Cl	691206164	YETZZLJNBAJHEQ-LLVKDONJSA-N	239.790	4.751	0	10	BJAE	
CCN[C@H](CC(C)C)[C@@H]1CCCCC[C@@H]1CC	695101140	MXBHPMVEPCMCKA-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@H]1CCCC2(CC2)C1	695682023	XZIHOHYWTAGKSJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@@]1(O)CCCCC[C@@H]1C(C)C	697630378	QJKOXZVASJUKIU-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1ccc(C)cc1C	697773498	DLNVANLKVGNEAG-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCC[C@H](CC(C)C)C1	701047318	FPAQWSGMRLSCLQ-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCNCC(CC)(CC)[C@H]1CCCC[C@H]1C	704845154	PMTSMWFTPCBQRW-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@@H]1CCC=C(C)C	704847127	GEXRPNKAPXVRML-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
Cc1cc(Cl)ccc1[C@H](N)CC1=CCCCC1	708382258	IDHJSUXEPANMJB-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
C[C@@H](C[C@H]1CCc2cc(N)ccc21)CC(C)(C)C	709097728	RRMKIVBFMCWYNZ-QWHCGFSZSA-N	245.410	4.761	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H](C)CC(C)(C)C)c1	709102327	MFMMVJOUXAMRQR-ZDUSSCGKSA-N	233.399	4.788	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H](C)[C@@]23CCCC[C@@H]2C3)CC1	709153772	JPWNODYMLTUZSQ-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@H](C)CC(C)C	709195492	IUBYWIWMGSDDLW-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H](C)CC(C)(C)C	709212305	NLMUGXUIMOKYQC-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
c1cc(N[C@H]2CC3CCC2CC3)cc(C2CC2)c1	709660749	CDKCPTKLXYTZOO-AJUCZRQESA-N	241.378	4.555	0	10	BJAE	
CN[C@@H](C1CCCCCC1)C12CCC(CC1)CC2	710342613	VEBSWGKYOVYFIW-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@@]1(O)CCC12CCCCC2)C(C)(C)C	710703678	PZYSCOJISLHRBU-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@@H](CC(C)(C)CC)c1ccccc1C	713267602	NNKBNHYJAKRWBQ-OAHLLOKOSA-N	247.426	4.514	0	10	BJAE	
C=C/C=C\CC[C@H](N)c1ccc(C(C)(C)C)cc1	713736739	FTSWWKVLRVWGJJ-WLMCBFPDSA-N	243.394	4.506	0	10	BJAE	
C=C/C=C/CCc1cccc(CC(C)C)c1	713753394	QVTWSPDYRGEYAX-AATRIKPKSA-N	214.352	4.560	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1	714298464	MASDKAVZHJZDBC-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCCSCC2C[C@@H]3C[C@H]3C2)C1	1459207458	XOPSYNHVSXLCML-HUUCEWRRSA-N	238.440	4.736	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)CCCC(C)C	1462263460	TZOIRPCVUJQHCU-HOTGVXAUSA-N	239.447	4.926	0	10	BJAE	
C1CCC(CSC[C@@H]2C[C@H]3CC[C@H]2C3)CC1	1613501574	KUBLUUIRLGIZIA-KKUMJFAQSA-N	238.440	4.736	0	10	BJAE	
CC[C@@H](NCC12CCC(CC1)C2)C1CCCCC1	1616637157	SKJULFRFBCVCHK-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CCCCCSc1nc(C(C)C)cs1	1641252663	QPTURQLXYMJAQA-UHFFFAOYSA-N	229.414	4.549	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)C[C@H](C)C(C)(C)C	1645303134	HJILLNIMORFEMG-ZNMIVQPWSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1	1657218500	UZSJANLSHBEWHR-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCCCCCOCc1ccccc1	1880022944	IGQNMZGRJRMFJU-NSCUHMNNSA-N	232.367	4.730	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(Cc1ccccc1)CC(C)C	1880413427	MYFYTZNBVRLVJD-JKSUJKDBSA-N	247.426	4.579	0	10	BJAE	
Cc1sccc1-c1sc(C)c(C)c1C	1889520062	XZLHTKKGQLXBIU-UHFFFAOYSA-N	222.378	4.710	0	10	BJAE	
CCC[C@@H](CC)C[C@@](O)(CC)c1ccsc1	1905370217	XVXZRKVNKPKJFN-OCCSQVGLSA-N	240.412	4.562	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cc(C)sc1C	1905380871	GMAATYVUYIJRDR-LBPRGKRZSA-N	238.396	4.764	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1(C)CCCCC1	1905435044	OLLXAUQQXFRDOX-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCCCC[C@H]1O)C1CC1	1913386621	OGPSOAKWXBYFRG-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H]1CCCCCCCC[C@H]1CC(C)C	1913425530	FMFGOCPHAVRFDV-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@H]1CCCC1CC1	1913429618	CKPSRTCPOAJDEX-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CC(C)CNC[C@@]1(CCC2CCCC2)C=CCC1	1916380629	PDTQTVSZCJUKAW-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)c1ccc(C2CC2)cc1	1919977845	WDPMLYJYODFQOA-SUMWQHHRSA-N	246.394	4.598	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC1C[C@H]2CCC[C@H](C1)C2	1923480497	NGDWUEZZHIKVBD-DZKIICNBSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@H](C)C1CCCCC1	1924077338	ZYFMWJVOIGQYJE-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NC[C@H]1C=CCCCC1)[C@@H]1CC1(C)C	1925825660	ZJZWAGSJMAADQH-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CCC(C)(C)CC	1936197142	HDUNLUZHWQLRER-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]3CC[C@@H]32)cc(C)c1Cl	1941023991	HMNOOJGHUUARBQ-FPMFFAJLSA-N	249.785	4.557	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](O)CCCC1CCC1	1941470356	PCACGPRIMZPBEY-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CCC[C@H](C(C)C)C1	1942661882	XCFHJBQEYCIWNY-JYJNAYRXSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(NCC1(C)CCCCCC1)C(C)C	1942784831	GUKGDOSTFAKPBW-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C(C)(C)C(C)C	1944661103	OZFRJZIQUNVVRZ-HNNXBMFYSA-N	237.431	4.559	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCC(C)(C)C1CCCC1	1946158160	KVSYZGIDVPTWII-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(N[C@@H](CC)CC2CCCCC2)C1	1947034758	BTFXFJORERUBQA-SIWZUTFBSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1C=CCC1)NCCC	1947577726	VGQWLVUMWQJOOT-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CC1(C)CCCCC1	1948327350	OVOYOWRZWDHAMJ-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCC[C@@]1(N)C[C@@H](C)CCC1=C(C)C	1949026239	YCBJZZQBGZGLLH-GOEBONIOSA-N	235.415	4.587	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@@H]1CCC(C)(C)C1	1949553658	ZZXUHNIBWHFKEY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)NCCC1CC2(CCC2)C1	1949859978	PZUKCADDNOWVFS-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(CC[C@@H](N)CC2CCCC2)CC1	1949871885	VBUSSCCJIBYXLM-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCC3(CCC3)C2)[C@@H]1C	1968346875	SNHFPAUNUPVVRC-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
C1CCCCN(C[C@H]2CCCC3(CC3)C2)CCC1	1968644735	JKOPPYLMRQDNFW-INIZCTEOSA-N	249.442	4.613	0	10	BJAE	
CCCCC1CC(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)C1	1970678278	GDXHOTFPVFWNPA-CUQMJCILSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@H](CNc2ccccc2C2CCC2)C1	1973432269	YYJSVQMCXZLZJG-KBPBESRZSA-N	243.394	4.802	0	10	BJAE	
CCC1(C)CC(N[C@H](C)c2ccc(C)c(C)c2)C1	1973589259	GICVWTLVFIPFPG-ODIFPOPNSA-N	245.410	4.533	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1cccc2ccsc12	1977422748	QLAYLUYDPOGANK-JQWIXIFHSA-N	231.364	4.502	0	10	BJAE	
CCCC(C)(C)C(=O)c1csc(C(F)F)c1	1978581685	BMBPPGIAXOCBFQ-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CCC(C)(CC)CC(=O)c1ccc(Cl)cc1	1980684691	JQCFXLWSKUSXHR-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CCCCCC[C@H](N)CC1(CCC)CCC1	1988460924	CRGJSJXOOUTRLD-AWEZNQCLSA-N	225.420	4.645	0	10	BJAE	
CCCCCC[C@@](C)(N)C1CCC(C)(C)CC1	1996593459	GVPPVOXFTZVBSU-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)C[C@@]1(O)CCCC2(CCCCC2)C1	1996645416	JKIHMRGJWPXMKN-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](C)CCN[C@H]1CCCC2(CCC2)C1	1997039587	MCDHXTNKYLVWCW-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@H]1CCC[C@H](CC)CC1	1997116439	KRQISUXAOFPENI-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC(=O)CCC1CCC1)C1CCCCC1	1998038633	UEIJVFVBSANQBX-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CCC2CCCC2)C1	2000182997	WBQHMCLNLNLTFJ-IUODEOHRSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H]1C=CCCC1	2000197389	XZYDUFLEOFQMAG-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)(CC)[C@@H](C[C@H](C)CC(C)C)NC	2000321458	CTPQKCJWKKBKBK-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCN(CC1(C)CCCCC1)C1CCCCC1	2000906996	UMKGBVBSTOWXEQ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@@H]1CC12CCCCC2	2001264184	WJQORKJLPFPAIT-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002222547	PGFXFWVIUNTEJH-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCC=CCN[C@@H](C)C1CCC(CCC)CC1	2002925871	VFSVIZJZCZHCCV-FHERZECASA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)CC2CCCCC2)C1	2003013332	GTSWDJKDNKUSTO-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
Clc1ccc2[nH]c3c(c2c1)CCCCCCC3	2003102972	ZSRRVAOETHQOSA-UHFFFAOYSA-N	247.769	4.870	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H]2CCCCCCC2=O)C1	2003112574	WEJMAHYORICDDP-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC1=C(C)[C@H](NC[C@@H](C)CC(C)(C)C)CCC1	2006924879	HHHWCYXXAUYEJW-SWLSCSKDSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1(C)CCC(C)CC1	2007683436	OZRSLKHJTDGDMR-NPCAHTBFSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1CC(CC)C1)NCC	2007749379	MPZURXANSIDEEM-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@](N)(C=C2CCCCC2)CC1	2007968926	WWTLKCOYVVNDIJ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(C)C1CCC(C[C@@H](C)CCO)CC1	2008716110	MEKWCVFUFLLSIL-NFOMZHRRSA-N	240.431	4.638	0	10	BJAE	
CC1(CC[C@@]2(O)CCCC[C@H]2C(C)(C)C)CC1	2009544344	OSNXGVNZGSJCHG-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C	2009568334	BTUDWPVCVMOPAT-XJKSGUPXSA-N	236.399	4.764	0	10	BJAE	
CC=CCCCC(=O)[C@]12CCCC[C@@H]1CCC2	2009572365	MEQATSJVXMPKNN-ZBFHGGJFSA-N	234.383	4.662	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H]1CCCC1(C)C	2009596326	PRXQIVAIGVECLL-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(O)(CC2CC(C)(C)C2)C1	2009716899	ZLRFHSNMJUUBBC-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2010712441	IZTQVAPRTLHVLX-UONOGXRCSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@](C)(N)C1=CC[C@@H](C(C)(C)C)CC1	2010729618	PXZMVLPZQJIFQJ-CJNGLKHVSA-N	237.431	4.667	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(O)CCCCCC12CC2	2011284295	DJKJQZMRQVJAHB-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCC[C@H](C)C2)CCC1	2015589644	XVNPKPBWNAMQNR-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC(C)(C)CC(C)C	2016145449	OPJSKBDHKPECPQ-OAHLLOKOSA-N	239.447	4.783	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C1C[C@@H](C)C[C@H](C)C1	2016150247	RLZDOCWUNCTBDM-DZKIICNBSA-N	238.415	4.556	0	10	BJAE	
CCCC1(C(=O)CC2(C(C)(C)C)CCC2)CC1	2017123984	DLPWNVVXORCMPL-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@](C)(N)CC1(C(C)(C)C)CCC1	2017149422	ZYVDHZWVIALNNT-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CC(C)=C(F)CNc1ccccc1C(C)(C)C	2017463172	IBTRQYZFFGVLCA-UHFFFAOYSA-N	235.346	4.659	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(CC)(CC)CO)CC1	2017714999	JOFITYOOSIXQBW-SHTZXODSSA-N	240.431	4.782	0	10	BJAE	
CCC1CCC(CCC[C@@H](O)C(C)(C)C)CC1	2017716424	RWPWOIBDIXOUHR-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](N)(CC)C(C)C)CC1	2017728161	IHAXANZFDCVCHR-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CCC1CCCC1	2018185877	UCPNFVKODNRDBP-MRXNPFEDSA-N	239.447	4.857	0	10	BJAE	
CC[C@@H]1CCCN(CCCCCC(C)C)CC1	2019341197	XFSZAWGVKXPFSN-MRXNPFEDSA-N	239.447	4.715	0	10	BJAE	
CCN(Cc1ccc2sccc2c1)C(C)(C)C	2019411684	VFBUFUJQSGVGTI-UHFFFAOYSA-N	247.407	4.522	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@@H](C)C1CCC1	2019848796	GTEWCDBIVWDHKN-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CN[C@H]1[C@@H](CCCC(C)(C)C)CCCC1(C)C	2020361435	PRMJZDJYNKSBJT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](CCC[C@@H]2CC2(C)C)C1=O	2020392093	NCQYUUWYEIQPJI-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(OCCCCC(C)(F)F)c1C	2023345025	AEFVTUKNWJBYMR-UHFFFAOYSA-N	242.309	4.508	0	10	BJAE	
C[C@@H](C[C@@H]1CCC[C@@H](C)C1=O)C1CCCCC1	2023992914	ARCLKYYJYHJGNE-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NC)C1=CCCCC1	2026165193	ZLKSXAZDPZAZLN-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)C1CCCCCC1	2026167927	WBZYUCSAZGDUAK-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
c1cc(-c2nc(C3CCCCCC3)cs2)co1	2026602985	KUPVJRINRXKYOQ-UHFFFAOYSA-N	247.363	4.841	0	10	BJAE	
CC1CC(CC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2027590745	LTFCBUIBMZUQRR-MTERUZRBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(C2CC2)CCCCCN1	2027856320	XMBZCPZYPYLFMB-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1ccc(C(C)(C)C)cc1	2028251027	CGVAVLNQXFNKLN-HZPDHXFCSA-N	247.426	4.666	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C[C@@H]1CC1(C)C	2032425691	AFMYYHLCOUKEBO-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC1CC(C2CCCCC2)C1	2033830806	RCHKPEVGPUYRQZ-MFNRNEDNSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(C)oc1C	2035404264	OZPXJKJQCPKKCK-JGGQBBKZSA-N	249.398	4.516	0	10	BJAE	
C1=C[C@@H](COc2cccc3ccccc23)CCC1	2035555159	LEGQPFBAGMWSCT-CQSZACIVSA-N	238.330	4.575	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCC1)C1CCCCC1	2035603838	XBWIJPOIRSEITR-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@H]1CC12CCCC2	2036093701	ATRWHHYVVOUGTQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)n1ccnc1C1CCCCC1	2036775787	IWYRVHDKYMOAAC-AWEZNQCLSA-N	248.414	4.928	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C1=CCCCCCC1	2037076101	RPAQGKXKNUDDKV-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1ccc([C@@H]2C[C@@H]2C)o1	2037137315	PMWYZHSZWWURON-YNEHKIRRSA-N	249.398	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CNC3(CCCCC3)C2)C1	2037720221	GKLKNKAZZALRJR-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037754225	CNVXVBQXTGOXNQ-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(CNC2C[C@H]3CCC[C@@H]3C2)CCC1	2038554322	WCCREMRCADGFDA-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@H]1CC12CCCC2)C1CCCCCC1	2039079714	UHSWEAHVWHGANA-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1cccc2ccccc12	2040722765	BLMCJQWEFHDOEI-INIZCTEOSA-N	241.378	4.666	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC2(CCC2)C1)[C@@H]1CC1(C)C	2043610709	ZTSJSGHQNPYWLE-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1[C@@H](N)C[C@H]1CCC=CCCC1	2045321198	SZLZZAFBMDFSPT-YVSFHVDLSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H]2CCc3cc(N)ccc32)C1	2045511494	JHSYDWMOGUUYGM-CJNGLKHVSA-N	243.394	4.515	0	10	BJAE	
CN(C1CCCC1)[C@@H]1CCCCC12CCCCC2	2047540208	YICGJYBBATXWRK-MRXNPFEDSA-N	249.442	4.754	0	10	BJAE	
C[C@H](N[C@@H]1CC12CCCCC2)[C@H]1CCC[C@@H](C)C1	2049544704	VPDMODFBHCEWAY-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCCc1cccc(C(=O)[C@H]2CC[C@H](C)CC2)c1	2049638648	RQTJAPNXOYPHGB-CTYIDZIISA-N	244.378	4.648	0	10	BJAE	
C1CCCCC(NCC(C2CC2)C2CC2)CCC1	2049673986	ZVNMPYCIFCCDQB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2CCC3(CC2)CC3)[C@@H]1C	2049855470	JIFWGQYFYFXPES-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(NC[C@H]2CC23CCCC3)CC1	2051599221	NBRMSJNSFPGWEJ-QQFBHYJXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)CCC1=CCCCC1	2053403836	LSYJUXMNEBVTFP-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
CC1(CNC[C@H]2CCCCC23CC3)CCCCC1	2053432658	XUKRKKVKGSYTLZ-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCC[C@@H]1NCCC12CCC1(CCCCC1)CC2	2058474531	CGXJEGDMIBJMLF-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
C/C=C/CCC[C@@](C)(N)c1c(C)cc(C)cc1C	2059202683	BMNJUHNHZJABFX-DKRLNXSXSA-N	245.410	4.532	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CC23CCCCC3)C1	2059391365	AUWGCUKEQQHMPX-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CCC1([C@H](N)C2=CC[C@H](C(C)(C)C)CC2)CCC1	2061083328	BMCSNOITMGUCCT-LSDHHAIUSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H](N)C2(C)CCCC2)CC1	2061095061	KOPIKDMHBWTXPU-HUUCEWRRSA-N	249.442	4.667	0	10	BJAE	
c1cc(NCC[C@]23CCC[C@@H]2C3)cc(C2CC2)c1	2061573248	WMJCDBOCMIWORX-WBVHZDCISA-N	241.378	4.556	0	10	BJAE	
CN[C@H](CC[C@@]12CCC[C@H]1C2)CC1(C)CCCC1	2061638798	QIDDQIUWZNINID-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
O[C@H]1CCCCCC[C@@H]1CC1CC(=C2CCC2)C1	2061681599	AWJWWMHOBZCFEW-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
O[C@H](CC1CCCCC1)CC1CC(=C2CCC2)C1	2061683586	ZMWVCHOUUUMXSK-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(CC(C[C@H](N)C3CCCCC3)C2)C1	2063204552	QQFUPPVUVOVKED-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C(=O)CC2CC3(C2)CC(C)(C)C3)C1	2063210098	BAVFKFPFAOZSLX-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(NCC2C[C@@H]3CCC[C@H]3C2)c1C	2063470331	AQSBKVOMIFEMFG-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
N[C@H]1C[C@@H](CCC2=CCCCC2)CC2(CCC2)C1	2063634839	GUOMMGAGPSLAHQ-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNC12CCC(CC1)CC2	2065267042	BVCZEWHWZOXXJH-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CN1CCC2=C(CCCC2)C1)CC(C)(C)C	2065851108	WONHHAGTAUKYCI-CQSZACIVSA-N	249.442	4.635	0	10	BJAE	
CC[C@](O)(CCC(C)C)c1ccccc1C(C)C	2066000088	OBEWCXXOGSZKKF-KRWDZBQOSA-N	248.410	4.844	0	10	BJAE	
CC[C@H](CCC(C)C)NCc1cc(C)ccc1C	2066079566	WLIRVHBLJAENIR-QGZVFWFLSA-N	247.426	4.608	0	10	BJAE	
CCC[C@@H](C)CN[C@@H](C)c1cc(C)c(C)cc1C	2066312381	HXEVWMJHQSLAPS-WBMJQRKESA-N	247.426	4.699	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068709265	ZHIVYTKQJHSSNE-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CC[C@@H](O)c2ccccc2C)CCC1	2069329977	BNXLMYJHXNOHDD-MRXNPFEDSA-N	246.394	4.779	0	10	BJAE	
C1CCCC(CNC2(CC3CC3)CCC2)CCC1	2069491254	FTPGFDYRRGXORU-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cc(O)c(C)cc1C	2070412615	DFHYTCIGLNLSBE-CQSZACIVSA-N	247.382	4.556	0	10	BJAE	
CCc1ccc(C(=O)C2(C(C)(C)C)CCC2)cc1	2071925374	DRBYNKRITMPWPC-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@]23CCCC[C@@H]2C3)CCC1	2071946358	PASWGHWKVIJQDG-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CN[C@H]1CCCCC12CCCCC2	2072411126	KZXWNHNKOJGLNQ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](CC(C)=C(C)C)c1ccccc1F	2072428730	IUAXMMLJVRXBFW-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CCCOc1cccc(N[C@H](C)C(C)(C)CC)c1	2072834171	ZSSGKQTULAYMRK-CYBMUJFWSA-N	249.398	4.712	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCC[C@@H]2C2CCCC2)C1	2074892513	NVFBTPTXVBSMRM-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCCCN1[C@@H]1CCC12CCCCC2	2075009889	CVLFCSPZLPELMG-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
CCCN(C[C@@H]1CCC2(CC2)C1)C1CCCCC1	2076585063	HQKQFWVYCVXSIF-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@@H](NCC)C1CC2(CCCCC2)C1	2077185311	QJYIXQRJCXVPLK-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
c1ccc(C2CCC2)c(NC2CC3(CCC3)C2)c1	2077263402	SVSMSEQSAPAUFF-UHFFFAOYSA-N	241.378	4.699	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@H]1C[C@H]1C1CCCCCC1	2079493033	VEFCTEFWTALWEX-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(NC[C@@H]2C[C@@H]2C2CCCC2)c1C	2079638010	AFKMNDNFAMRXRM-JKSUJKDBSA-N	243.394	4.542	0	10	BJAE	
CC1CC(C(=O)C[C@@H]2C[C@H]2C2CCCCCC2)C1	2079855038	YIDMYPZQMZCWMO-LVBITLCTSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H]1CCC[C@@H]1C(C)C	2080252907	RONXMIKJTSXBQI-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC2(CNC3CC3)CCC2)C1	2082975171	GGIWQWTUEOOGQV-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(C[C@@H](N)C[C@H]2CC23CCCCC3)C1	2084997616	JTAAEJLUFITWFG-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1scc(C)c1C	2210568530	YRYDBOFFZKIOLQ-OLZOCXBDSA-N	240.412	4.615	0	10	BJAE	
CC(C)(C)CCCC1(N)CCC(C2CC2)CC1	2213701400	DFVIWWHGBKDGGD-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(OCC[C@@H]2C[C@@H]2C)cc1	2215329489	DDEOXFJTDMTWDO-KCQAQPDRSA-N	232.367	4.625	0	10	BJAE	
CCC(CC)C[C@H](O)CC1(C)CC2(CCC2)C1	2215463749	CFHRHIZWIJFKBQ-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)[C@@H]2CCC(C)(C)C2)CC1	2215806451	FOSPVGPIFDQODR-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CC=CCCC[C@@]1(N)CCC[C@@H](C(C)(C)C)C1	2216247281	KXHJZAONOGOXDE-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
NCC1(CC2C[C@H]3CCC[C@H](C2)C3)CCCCC1	2218357858	SMAMRZJNXXPQAO-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)C1CC=CC1	2218721656	UMETWQBXSSFFEC-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCC1(C2CC2)CC=CC1	2219251819	YWZBZUHOYAXQRP-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2CCC[C@@H](C(C)(C)C)C2)CC1	2222269586	SHVOKVKWKHSYLF-OWCLPIDISA-N	249.442	4.680	0	10	BJAE	
CC(C)=CCCNC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222930933	RXPWUHWFIOWFMB-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC[C@]2(C)C2CCC2)C1	2223856959	JNXKBVNWLQKOLX-DOTOQJQBSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CCC[C@H]1C[C@@H]1C)N2	2224123342	BVZTVJNSVQUDFF-DZKIICNBSA-N	243.394	4.548	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1csc(C)c1C	2242614675	GEENBVFGIMQAJR-TZMCWYRMSA-N	239.428	4.581	0	10	BJAE	
CCC[C@H](CC)C(=O)CCC1=CCCCC1	2244783868	QQHBXOFQHVEEIM-AWEZNQCLSA-N	222.372	4.662	0	10	BJAE	
CC[C@@](C)(CO)CC[C@@H](C)CCCC(C)C	2244870098	XQLMBGIPWLXEJT-LSDHHAIUSA-N	228.420	4.638	0	10	BJAE	
CCCCC[C@@H](O)c1ccc2ccsc2c1	2246118523	OFCJPEIOZYPURD-CYBMUJFWSA-N	234.364	4.515	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CCCCC12CC2)NC	2246620924	RBDHYKSDISOOTG-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](CC[C@H]2CCC[C@@H](C)C2)C1	2246665519	RTXCKIWTCUKXAP-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(C)CCCCCN2)C1	2246735407	YNQKBOFQLBLDRF-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
N[C@@H](CCCCC1CC1)c1csc(C2CC2)c1	2248049410	ULURMAMKUSJICA-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1CCC(CC)CC1	2250357448	IFXCVCXXTUBUBC-SSHXOBKSSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@@H](CC)CCC	2250369187	UZBQMAAFTFCPAR-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CNC(C)(C)C1CCCCC1	2250383163	HSJLPYIEVOAEBB-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC[C@H]1CN	2250531070	WPJRWKASHHKCIM-XHSDSOJGSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@]12CCCC[C@H]1CC2	2251103793	KBJUJLPPFYJVLY-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@@]12CCCC[C@@H]1CC2	2251110919	LINFYSFVDUHZCA-CZUORRHYSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@H](O)C1CC(CC(C)(C)C)C1	2251532343	VUFVEMVYDITATL-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](C)(N)CCC12CC3CC(CC(C3)C1)C2	2253981293	JPMQCZQDGDMQPQ-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2CCC23CCC3)CC1	2255019118	RTOJSGDBFZRMTM-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@H](CC2=CCCCC2)C1	2255094402	APETXIVZGZWJIU-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)C[C@H]1CCCC12CC2	2255223050	FTBYCQDOWKEBDF-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@H]1CCCC12CC2)NCC	2255228511	STYXVPAORGGWMD-TVKHYIBRSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)CCCN1CC[C@H]1CCCC12CC2	2255234870	QUMHEMIRPSXCSW-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H]2CC[C@@H](C)C2)cc1	2256254590	UAZGOSFDPYMRTP-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC1(N)C[C@H]2CC[C@@H](C2)C1	2257362118	PXTUVHLAWXSSAN-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cc2cc(C)ccc2o1	2259477753	KYWYZVJTFXWUAD-BLLLJJGKSA-N	245.366	4.567	0	10	BJAE	
CC(C)(CC[C@H](N)[C@@]12CCCC[C@H]1CC2)C1CC1	2260505548	HNDHERFSGMSTHJ-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C[C@@]12CCCC[C@H]1CC2	2260600971	HNGRWKRZIGGBGI-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@]12CCCC[C@H]1CC2	2260630209	VZDXMAOQZPTLQM-YESZJQIVSA-N	249.442	4.811	0	10	BJAE	
CCCC=CCNc1cc(C(C)C)ccc1C	2300468026	GKCFFVHSZMFUMJ-UHFFFAOYSA-N	231.383	4.887	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCC(C)(C)CC1	2300701877	URABOBCFONMUGH-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCNC[C@H](C)CCC=C(C)CCCC(C)C	2300878461	ABHNYHBFEOXXBY-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H]1CCC[C@H](C)CC1	2300895919	CFLBTLIUBSYTJM-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@](C)(N)[C@H]1CCCC(C)(C)C1	2300909920	UGCGTERVDBBECR-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)NCCCC1=CCCCC1	2302358766	JWKDIADDWZJLPB-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C1CCC(CC2(N)CCCC2)CC1	2302557623	RGSHUCCFPZTDAB-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@]1(C[C@@H]2CCC(C)(C)C2)CCCCCN1	2302683017	OSYFKZQENLQTQS-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H]1CCC(C)(C)C1)NC	2302718994	FJFBDBCQBPYIPE-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CNc1cccc(C(C)C)c1F	2307560013	WWOWUCLVWCGQHX-GFCCVEGCSA-N	237.362	4.797	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CCc2ccccc2N1	2307801170	KARDXHQAYJBRKA-HIFRSBDPSA-N	231.383	4.630	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(O)CCCC2(CCC2)C1	2307846904	VZZYRDBKTSPKRC-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC1(C)CCCC1)NC	2307906261	CXSHBISUUSYTRF-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1	2309165144	FBTRRMUGQUHKIH-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@]1(CC[C@@]23CCC[C@@H]2C3)CCCCCN1	2310374680	BYGOSPIWFOMJKY-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(C[C@@]23CCC[C@@H]2C3)C1	2310895624	XOMAVIMIVZRVIU-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2C[C@H]2C2CCC2)CC1	2311478586	SDVFWZBVSHTKNW-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@@H]1C[C@H]1C(C)C	2311518691	SHMDDMWRIIEAMY-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312952003	ZGOSDTQJJXODHR-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCCC1	2313187483	WSGHKWHPEYZCAK-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@@H](C)CC2CCC2)cc1	2313594937	VFBHEEVEULSLQQ-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CC=CC[C@@H](NCCC)C12CCC(CC1)C2(C)C	2316503580	QJFCGINQRCUWIM-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1C[C@@H]2CC[C@@H]2C1	2316510561	NGYYACZWEVDLIC-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@@H]2C[C@@H]2C1)CCCC(C)C	2316542696	SKCVOXALGANJJK-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@H](N)CCC1=CCCCC1	2317903047	AWTCNURSUUEQTI-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)[C@@H](C)[C@@H](C)C(C)C)cc1	2317906643	JBJMKBRJCQITLL-KKUMJFAQSA-N	246.394	4.596	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@H]1CCC[C@@H]1C	2317921946	DIXOYJWMCLKBTQ-QWHCGFSZSA-N	249.373	4.797	0	10	BJAE	
CC(C)c1ccc(F)cc1NCC1CC2(CC2)C1	2317927055	AITMZPAIWCLKBR-UHFFFAOYSA-N	247.357	4.551	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@H]1CC12CCCC2	2318873690	BXVWCXWXSWLHKS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@@H](N)C[C@H]2CCC(C)(C)C2)c1C	2319024125	LEGLKXWELYNQQS-ZBFHGGJFSA-N	245.410	4.520	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1c(C)c(C)cc(C)c1C	2320368743	KVKHLXWMQFEHCC-LSDHHAIUSA-N	244.378	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CC[C@@H]2CC2(C)C)CC1	2320409769	XXVRTYBJGZBZKH-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CCCCCCc1ccc([C@H](N)C2CCC2)cc1	2327897278	ZPCPWCVPQRGEDV-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCCCCCNc1cc(Cl)ccc1C	20360200	YWTOKCQHXYIXPQ-UHFFFAOYSA-N	225.763	4.641	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCC(C)C)c(C)c1	21516651	RGNSCZKAFSXNOU-AWEZNQCLSA-N	219.372	4.540	0	10	BJAE	
C[C@H](CNc1cccc2ccccc12)C(C)(C)C	38437772	RTLPOLDMBYMBOG-CYBMUJFWSA-N	241.378	4.934	0	10	BJAE	
CC(C)(C)c1ccc(COc2ccccc2)cc1	70236540	CKVHVGLNLAULJA-UHFFFAOYSA-N	240.346	4.563	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC(C)C)NCC	71085242	GTDKWUDUJREWES-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1Nc1cccc(F)c1	82715803	XQNUFPVVBLVZMN-UHFFFAOYSA-N	235.689	4.531	0	10	BJAE	
Cc1cc(C)c(C(=O)C2CCCCCC2)cc1C	87946402	HZHNNVXYSQTOBU-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CCCC[C@H](NC(C)C)C1CCC(CC)CC1	93074368	ZDDPEXRKMYJPBZ-GPANFISMSA-N	239.447	4.760	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)C1(C)CCCC1	94900745	VHHVKSILIOTTED-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)C[C@H](C)CC[C@@H]1C(C)C	109700711	ZAOFFYKSFPRUCG-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](N)c1cccc(C)c1Cl	124813185	AEVMCOLJSYMCBU-ZDUSSCGKSA-N	239.790	4.619	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](O)C1CCCC1	127388439	VHZBJEHGGLOMLA-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](NC)c1ccc(CC)c(CC)c1	127981414	LWRXUCUJFIKLNX-KRWDZBQOSA-N	247.426	4.652	0	10	BJAE	
CSc1ccc(-c2ncsc2C(C)C)cc1	143631509	SCENKXOAVWOXMN-UHFFFAOYSA-N	249.404	4.655	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)CC(C)C	149627267	WMWDQXKNKQDKBA-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H](C)C2CCCCCC2)C1	149984150	AQIRXCMTEGZJAG-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](N)c1ccccc1C(C)(C)C	158559568	HPNAAQNSIURMTQ-MRXNPFEDSA-N	247.426	4.954	0	10	BJAE	
N[C@H](CC1CCCCCC1)CC1CCCCC1	161072920	YYKWPWQVTDTUJP-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cccc(C(C)C)c1	163770357	HOVMVPLOZFFEJU-CZUORRHYSA-N	231.383	4.801	0	10	BJAE	
Cc1ccccc1[C@H](O)C1(CC(C)C)CCCC1	166714787	PJYXYYUGBXHPIA-INIZCTEOSA-N	246.394	4.635	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](C2CCCCCC2)C1	167554207	MWSPJXXJICOSLG-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)[C@H](NCC)C1=CCCCC1	211886022	YRVCPIKDBSFGQH-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)[C@@H](NC)c1cccc2ccsc12	228970733	IZOYLRQGVVVKHC-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CCN[C@@H](CCCC(C)C)c1ccc(C)cc1C	229179820	IQRJXVCGYQKRLV-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(CCC(C)(C)C)C1	230790054	ZIWOYHWIVPFUSP-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
F[C@H](C1=CCCCCC1)c1cccc2c1NCC2	236150243	JJTVAISVTKWDJI-OAHLLOKOSA-N	245.341	4.556	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C)CC[C@H]1CNCC	250820556	KZBXHOMZCWJHHZ-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1ccc(C2CC2)cc1	302286091	KFNNQHVJVNYHRT-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CCC2CCCC2)C1	304126604	MQBXPUAAUUETQJ-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CC(C)c1csc([C@@H]2CCCC(F)(F)C2)n1	304155034	IZKLETWUKSNYIC-SECBINFHSA-N	245.338	4.559	0	10	BJAE	
Cc1cc(C)c([C@H](N)CCCC(C)(C)C)c(C)c1	305913991	JNDOOZMHRJZCOT-OAHLLOKOSA-N	247.426	4.828	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cc2cccc(C)c2o1	306069491	ZTHWQQRZXNRGLY-NHYWBVRUSA-N	246.350	4.601	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)c1ccccc1C(C)C	308055553	BCODZXIKWKQNHP-PBHICJAKSA-N	247.426	4.882	0	10	BJAE	
C[C@H](C[C@@](C)(O)CC1CCC1)C1CCCCC1	310470877	IIDFDMQXXCJMAI-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1)C(C(C)C)C(C)C	310896071	AQXVYBYOQFACSY-KRWDZBQOSA-N	247.426	4.574	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C(C)(C)C(C)(C)C)cc1	311179623	WUKSLMJONUDFCV-OAHLLOKOSA-N	247.426	4.882	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1ccc2ccccc2c1	319283179	DVTRUYBEZVROOX-AHIWAGSCSA-N	242.362	4.555	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)CCC1CCCCC1	319853897	NSDPDYFYIPYKKE-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CC[C@H](C)C(C)C)c1ccccc1	320052676	ZDEJKZNQUNYASL-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
CCCCCC[C@](C)(O)CCC(C)(C)C	382381274	HWJQDFRSHZAAJH-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
C/C(=C\CCCCC(C)C)C[C@@H]1CCCCN1	383113477	APPGZUNXMNGYQL-KMPOOHAWSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCCC[C@H](N)C1C(C)(C)C1(C)C	383218671	DSDQXIOSNVMMMZ-ZDUSSCGKSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCC[C@@H](C)[C@H]1C	383327650	YTBNLBBWAAOIAE-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@@H](C)c1ccccc1	384825934	XCYBVZLGPFLQKX-WBVHZDCISA-N	247.426	4.739	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)c1cccc(Cl)c1	384846302	KBVCZEHVJZFHSP-HNNXBMFYSA-N	249.785	4.620	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc2sccc2c1	386495704	ZKHWNRZLRKWHRY-JTQLQIEISA-N	232.348	4.520	0	10	BJAE	
Cc1cscc1N[C@H]1CCCc2ccccc21	387289888	HXCKDYJHRCGVHI-AWEZNQCLSA-N	243.375	4.546	0	10	BJAE	
CCCC(O)(CCC)CC1CCC(C)CC1	390610718	ZRAQWQHUQMVSTK-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](c1cc(C)cs1)[C@H](C)CCC	393929791	MAJMXIPDOBZGRW-TZMCWYRMSA-N	239.428	4.533	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCC2=CCCCC2)c1	395061921	HFQRHNMFUICGCE-QGZVFWFLSA-N	243.394	4.584	0	10	BJAE	
Cc1cccc(F)c1NCCCC1CCCCC1	395192031	ZJMOLKSIHQRLPF-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCc1c(C)ccc2cc(C(F)(F)F)sc12	396312489	YEPVIEOHWCAEKR-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCC[C@@](O)(CCCC(C)(C)C)[C@@H]1CC1(C)C	397592680	CMMBWUQKDIOZGW-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](N[C@@H](CC)[C@@H]1CC1(C)C)c1ccccc1	397622315	LPNRFKCLMFZEFL-JYJNAYRXSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H](C)C1CCC1)NCC	398746818	YYFAABBOSPTKMC-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC1CCC1)CC1CCCCCC1	398943646	XGNMUUDUQMWMKC-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1cccc(C2CC2)c1	690161724	ZBPAFDFUHJUSKJ-LRDDRELGSA-N	229.367	4.555	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1NCCC(C)(C)C	691170526	VCOFWFRHBJIZJA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)NCC1(C2CCCC2)CC2(CCC2)C1	691421688	NNQMORRAFZIEIH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(N[C@@H]2CCCC[C@@H]2C2CC2)CCC1	696113662	WGNKEIBKFGRGNY-IAGOWNOFSA-N	249.442	4.658	0	10	BJAE	
CCc1ccc([C@@](C)(N)CCC(C)(C)CC)cc1	696678321	NNYQLTKDLUSXPR-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CCC(C)(CC)[C@@H](C[C@@H](C)CC(C)(C)C)NC	701204932	KBHMSIAEQOSKKD-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C(=O)C(C)(CC)CC)c1ccccc1	701371626	QLHLMSINECGZLB-AWEZNQCLSA-N	232.367	4.576	0	10	BJAE	
O=C(CCCC1CCC1)c1coc2ccccc12	701567135	GTBBTMCAHQPXFG-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@@H]1CCCC[C@H]1C	704849522	BTHHVRCHCBNOIN-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CN[C@@]1(C)CCCC[C@H]1C)CC(C)(C)C	709099730	WTSQMQBTRPTNPZ-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(OC[C@H](C)CC(C)(C)C)c1	709104691	CCVSHIYUYJKCHU-CYBMUJFWSA-N	234.383	4.700	0	10	BJAE	
CCN[C@H](C)CC(C)(C)C[C@H](C)CC(C)(C)C	709188918	OVBUGGKAENTDLU-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)C[C@H](C)CC(C)(C)C	709218006	VZKALRDVLGUIJM-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(N[C@@H](c2ccccc2)C2CC2)cs1	710706700	XEHJXBGZDSPIHH-HNNXBMFYSA-N	243.375	4.620	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1ccccc1C1CC1	711246550	PLHVJYOUKHHSEL-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCCc1ccccc1N[C@@H]1C[C@H]2CCCC[C@H]21	712427768	ZUJSUFDRDZIRHY-BFYDXBDKSA-N	243.394	4.630	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C[C@@H]2CCCC[C@@H]21	712472099	ATBVVPPEGCPTRP-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)CNc1cccc(C(F)F)c1	713263110	IEROEOPHROYSSY-UHFFFAOYSA-N	241.325	4.718	0	10	BJAE	
CC(C)(CC(=O)c1ccc(C2CC2)s1)C1CC1	716576947	JYCSUANYDSFTCQ-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CC(C)=C(C)C/C=C1\CCC[C@@H]1[C@@H]1CCCCN1	718637062	YOUQOEFFEVLRKX-JBAYFQIUSA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1C[C@H](CC2CC(C)(C)C2)c2ccccc2N1	723542447	KHGVVUSLVQBWIE-TZMCWYRMSA-N	243.394	4.801	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@@H](C)[C@H]1CCC[C@@H](C)C1	1182387513	GLZNHAOMCJXQQN-QPSCCSFWSA-N	239.447	4.616	0	10	BJAE	
CCCC1CCC(CN[C@H](C)C(C)(C)C)CC1	1203006575	QINSDGKXRITBAB-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)Sc1nc(C(C)C)cs1	1644057993	FMZNHWPZORQBOO-VHSXEESVSA-N	243.441	4.793	0	10	BJAE	
CCC[C@@H](NC[C@H]1CCC=CCCC1)C1CCC1	1665881239	SSFKMVHFYZOIOI-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc([C@@H](N)CCC(CC)CC)s1	1900695797	GCIRCYNLVIKGMI-ZDUSSCGKSA-N	239.428	4.527	0	10	BJAE	
Cc1ccc(Cl)c(O[C@@H](C)[C@@H](C)C(C)C)c1	1901620648	XERXYCXRJVCZPA-RYUDHWBXSA-N	240.774	4.708	0	10	BJAE	
CC(C)c1cccc(CC[C@@H]2C=CCC2)c1	1902962240	PAOGZRBULLWLLF-CQSZACIVSA-N	214.352	4.709	0	10	BJAE	
CCC[C@H](CC)CC(=O)CC1CCCCC1	1905291496	DVIKGQODAMKVCL-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H](CC)COc1cc(F)ccc1Cl	1905292368	IZNDJQVVKJPTND-SNVBAGLBSA-N	244.737	4.684	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CC[C@@H]2C[C@@H]2C1	1906514295	OZVWBPMNVHYFSS-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)C[C@@H]1C[C@H]1C	1909600993	IZJKCINRTMJOOO-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)CC1CCCCCC1	1910742963	LYAQHTFHERXVNP-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC(C)C(O)(CCC=Cc1ccccc1)C(C)C	1911797750	PYZKDVSUHLMRTJ-UHFFFAOYSA-N	246.394	4.523	0	10	BJAE	
C=CC=CCC[C@@H](N)c1ccc(C(C)(C)C)cc1	1912073142	FTSWWKVLRVWGJJ-MRXNPFEDSA-N	243.394	4.506	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC2CC3(CCCCC3)C2)[C@H]1C	1912707385	DFGYIAXNQGVIEI-SQWLQELKSA-N	249.442	4.514	0	10	BJAE	
CCNCC(C)(C)CC[C@@H](C)C1CCCCC1	1916497516	RJLYQFYCKZIDPQ-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CNC[C@@]1(C[C@@H](C)C2CCCCC2)C=CCCC1	1916613342	USLNKRSPUAEGOZ-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC[C@@](O)(CCCC(C)(C)C)c1ccc(C)cc1	1919890979	PTRYUZRSGIPKAC-QGZVFWFLSA-N	248.410	4.809	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(O)CCc1ccccc1	1919917831	OQPYAYMGRAAWFX-QGZVFWFLSA-N	246.394	4.507	0	10	BJAE	
CCCc1ccccc1[C@@](O)(CC)C[C@H](C)CC	1920000602	SOVUTNHAJDGCQD-RHSMWYFYSA-N	248.410	4.673	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H](C)CC(C)C	1920193862	MZZRZRNDZMIHEP-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CC1(C)C[C@@H]1CCNc1cccc2ccsc12	1921535953	HMVAYGWLLFUKIQ-LBPRGKRZSA-N	245.391	4.749	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2C[C@H]3CCC[C@H](C2)C3)C1	1923479669	HZXFOLVAVBOUBW-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@H](Cc2ccc3cccnc3c2)CCCC1	1925830991	VQLIIYFYZWNBNE-AWEZNQCLSA-N	237.346	4.524	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C[C@H]1C=CCCCC1	1925868912	DAUUQAYKGWYBNA-QLFBSQMISA-N	206.373	4.949	0	10	BJAE	
CCC(CC)CCNc1c(C)cccc1Cl	1926134876	SVCVEZBMHWEMNN-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CCC1CCC(C[C@H]2C=CCCC2)CC1	1932605447	WGCFQGIFVGVHKO-SLTAFYQDSA-N	206.373	4.949	0	10	BJAE	
CCCCC[C@](C)(O)CCCCCC1CC1	1936410234	JQTCANZQGKJJOT-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@H](C)CCC(C)C	1937172646	COTCLZUMDWJLMR-GFCCVEGCSA-N	240.774	4.852	0	10	BJAE	
CCCC(CCC)N[C@@H](C)[C@H](C)CC(C)C	1939033557	INZUXPPAACCKQZ-KGLIPLIRSA-N	227.436	4.616	0	10	BJAE	
CCC1(C)CC(C(=O)CCC(C)=C(C)C)C1	1939096587	SXTMSPZQFUFDKV-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CCCC1CCCC1)NCC	1939121450	BKIHMPINVPLNCA-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC[C@](C)(CNC1CC1)CC1(C)CCCCC1	1940409356	WZYDOIPUHUWKIN-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1ccccc1C(C)C	1940616330	MICMUWNFERFHLX-XJKSGUPXSA-N	233.399	4.636	0	10	BJAE	
CCC(C)(C)CC[C@H](CC[C@H]1CC1(C)C)NC	1940866082	XXKQRRJFYOFTMD-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CN[C@H]1CCCCC[C@@H]1CC)C(C)C	1941929079	MLKPAWDOXQVJGL-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CCC[C@@H](N)C(C)(C)C)C1	1944206290	XKBUDARBRXEPQD-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@]1(CNC(C)(C)C)CCCC1(C)C	1944476003	RZMJGEBZHJUFFS-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)C(C)(C)C1CCCCC1	1944619015	SJXVOYCQUWNMHO-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)c1cccc2ccsc12	1945746657	FPRBAHBXXQVLKA-GFCCVEGCSA-N	244.359	4.520	0	10	BJAE	
CCC(C)(C)C[C@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948593807	USJSYJOBTITING-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CC1(CC)CCC1	1948979500	PDRBJTFBADSYSO-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CCCC[C@H]1C(C)(C)C	1949025460	VTZJCAYCQUYQTB-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@@H](C)C(C)(C)C	1949044876	BTEFTWLJORUQQO-NFAWXSAZSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H]1CC12CCCCC2	1950610907	FGFYHUDYXQQZCK-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@]1(CNC)CCCC(C)(C)CC1	1950914435	PSLMMXXRNZZQMG-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)CN(C)CC1CCC(C)(C)CC1	1964261663	OAWDERZOLDZKTG-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
C[C@H]1CCC[C@@H](CCN2CCCCC23CCC3)C1	1966233459	YSZSLNTWASYSIO-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2ccc(F)c(C)c2)cc1	1968258575	ASKSBIXSQUDYJE-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1CC[C@H](C)C1	1968370293	FSTVXHJMZLBXRF-UONOGXRCSA-N	232.367	4.625	0	10	BJAE	
CCCN(CCC(C)(C)CC)Cc1ccccc1	1968372593	AXSBQSCBKKHPPS-UHFFFAOYSA-N	247.426	4.725	0	10	BJAE	
CC(C)C(CN1CCCCCC[C@@H]1C)C(C)C	1970731071	ZKWSHFBFSKENJJ-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](N[C@H]1CCC2(CCC2)C1)C1CCCC1	1970932540	LZZSCMUJLGZSHB-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC12CC2)C1CCCCC1	1972724485	GPMRDAUIFPFWRE-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@](N)(CC)[C@@H]1CCCC(C)(C)C1	1978352998	OQHPFEQPRZQYDJ-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
C/C=C/CCCC[C@@H](NCC)c1cccs1	1984630691	UOKARTQNGJLNKN-MASHWEEQSA-N	237.412	4.535	0	10	BJAE	
CCCC[C@@](O)(CC)CC1(CCC)CCC1	1988462167	RDGANKIKRWJBIE-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C(C)(CC)CC	1992046170	GJAQKAMPNQQCCI-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCc1ccc2occ(CC(C)C)c2c1	1995462642	ZVYUQZURJRKUGT-UHFFFAOYSA-N	216.324	4.584	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2c(C)cccc2C)C1	1995630501	OLYJMTYSOAVRQD-CABCVRRESA-N	231.383	4.684	0	10	BJAE	
CC[C@@H](C)CCN[C@H](C)C1CCC(C)(C)CC1	1996550199	XXBYRQSCHKZINI-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](CCC1=CCCCC1)NC	1996602883	MDLMNRYQDCZCIE-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CC2CCCC2)CC1	1997117783	SXJWIBZAKNCANN-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@](O)([C@@H]2CCCC(C)(C)C2)CC1	2000029613	ZKBGKAFODQXVON-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)[C@@H]1CCCC(C)(C)C1	2000104106	GRFNTMKKTVMHNV-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CCC(C)=C(C)C	2000193996	VMDLFFVRYHTGTM-LSDHHAIUSA-N	236.399	4.908	0	10	BJAE	
C=CC=CCCC(CC)(CC)CNCC(C)C	2000500883	ZNLWNJRUGUKZSQ-UHFFFAOYSA-N	237.431	4.561	0	10	BJAE	
CC=CC[C@](CC)(CCCC)CNC(C)(C)C	2000504345	HERTYAKSEJOQFJ-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@H](C)[C@H](C)CC	2000507408	GBPJLMJAPVXCIC-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)N(CC(C)C)CC(C)(C)C(C)C	2000906423	IQEIQEQWCHNGTC-UHFFFAOYSA-N	241.463	4.815	0	10	BJAE	
CCC[C@H](C)CN[C@H](C)[C@@H]1CCCC(C)(C)C1	2003028753	YDXKRLZWTUXHFA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CC1CCC2(CC1)CC2	2003217440	JXVWSQBWZUOCLR-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CCCC[C@@H]1C	2004228495	PJDGHBGLEKXRFU-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC1CC(C[C@@H](O)CCC2CCCCC2)C1	2007752352	SCTIXMIGEHYVMW-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCC1CC(C[C@]2(O)CCC[C@@H](CC)CC2)C1	2007760672	NPHICBMWZOEQDJ-LMPOIIKSSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(CCC2(C)CC2)C1	2009552185	NWMPOYNMNVWDBE-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC=CCCCOc1ccc([C@H](C)CC)cc1	2009580200	YDJAGQAMQZZJSC-CQSZACIVSA-N	232.367	4.935	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@@H](C)C1CCCCC1	2009616441	JDHVWRRPCPRVFG-WIJLQKJISA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@]1(CNC(C)C)CCC[C@@H]1C	2009629756	USWQBXICJAJKEO-DZEZYYDTSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(O)C1=CC[C@H](C(C)(C)C)CC1	2010724663	COVLFCLCFLXDPW-XJKSGUPXSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011973658	ONDMORQMVMFJCY-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CN[C@H](C)C1CCC(CC)CC1	2013475490	KEZBUPDNOHEHJP-QRNKSROTSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)[C@@H]1CCC1(C)C	2014877692	PCIMLWBUMHFELU-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCCC1(CC(=O)C2CCC(C)CC2)CCC1	2015598706	YLRIUZRQSFHSBG-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@@](O)(CC)C[C@H](C)CC)CCC1	2015636307	WGNNQEXNLZRZSJ-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C(C)(C)CC(F)F	2016022124	BPBSQWZGVQCCJT-GFCCVEGCSA-N	249.389	4.602	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CC[C@H](CC)C1	2017486575	LEULIGFHJDECAN-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)CC2CCCC2)CC1	2017654557	FLDUXQYPQQDMEP-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@H](C)C(C)(C)C)CC1	2017721220	KBUYFQMVBARUQM-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@H]1CC[C@H](C)CC1	2017722105	NTLCDHPRWVWBHE-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](NCC)C(C)C)CC1	2017723153	JDASUUYTNZQMBC-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@H]2CC)CC1	2017728889	QCJXKLCZQWPFLJ-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C)C[C@H](C)CC1CCC(CC)CC1	2017734381	BPQHWBCSUSWRJH-FXQLRMTLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CCCCCC(C)C	2019340653	QNWCUUMUCZERPY-OAHLLOKOSA-N	241.463	4.959	0	10	BJAE	
CC1(C)CCC[C@@H](CCCCCC2CC2)[C@@H]1N	2020361350	OUFHVASVYAFLHS-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCN(C1CCCCCC1)[C@@H]1C=CCCCC1	2020507193	BODIFMFRTCYKON-OAHLLOKOSA-N	235.415	4.530	0	10	BJAE	
CCCNCc1cc(C)c(C2=CCCCC2)s1	2023669350	VYFMORPCGPQDPM-UHFFFAOYSA-N	249.423	4.514	0	10	BJAE	
CCN[C@H]1[C@H](CCC(C)(C)CC)CCC[C@H]1C	2024002621	AFYODIMNICBFOM-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@@H]1CCCC(C)(C)C1	2024097359	XKNZBKHEBUPXCN-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCCC(C)(C)C2)C1	2024102767	VULBZXNZUZBEFP-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
Cc1cscc1NC1CC2(C1)CC1(CCC1)C2	2024504926	FVKGHTRLAPOCGI-UHFFFAOYSA-N	247.407	4.581	0	10	BJAE	
CCCC[C@H](CCCC1(F)CCC1)NCCC	2025275258	OJFFJJFFLOKOHE-CQSZACIVSA-N	243.410	4.607	0	10	BJAE	
CC1(Cc2csc([C@@H]3CCCC3(C)C)n2)CC1	2026539667	FVURSAIYWGPQNW-LBPRGKRZSA-N	249.423	4.779	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)[C@H]1CCCC2(CC2)C1	2027854452	FFYYFIKWLKISKD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)CCC1CCCCC1	2027887149	SXJTVCDQPJBNHH-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1ccccc1C1CCC1	2029072434	XGMGKAYEYIZKPS-OCCSQVGLSA-N	242.362	4.573	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC2=C[C@H](N)CC(C)(C)C2)C1	2031823025	CJTDBKYKJRJZLN-NHIYQJMISA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCC1)C1(C)CCCCC1	2035576646	REJDOPLVIMIBQM-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc2c3c([nH]c12)C[C@H]1CCCCC[C@@H]31	2035865439	UCQHCOHJIHNQTR-CHWSQXEVSA-N	239.362	4.696	0	10	BJAE	
CC(C)CCC[C@H](N)c1ccc(C2CCC2)cc1	2037093257	ZMNLXRREGKVYRD-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CC[C@](N)(CC(C)(C)C(C)C)c1cccc(C)c1	2037126955	MIMDVJUUPCEKPG-KRWDZBQOSA-N	247.426	4.631	0	10	BJAE	
Cc1ccc2ccn(CC3CC4(CCC4)C3)c2c1	2038078015	FWESWNOQWCHWKR-UHFFFAOYSA-N	239.362	4.530	0	10	BJAE	
C[C@@H](NC1CC2(CCC(C)(C)CC2)C1)C1CCC1	2038932534	FFMRVSMWXJRAGH-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@H]1CC12CCCCC2	2038997684	VURFHTMZGPCDBD-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@H]1C[C@H]2CC[C@H](C2)C1)C1(C)CCCCC1	2039845903	GYSWXFNVKNUBOY-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NC[C@@]1(C)CC=CCC1)C1(C)CCCCC1	2042067232	HTBQMVXBTDYPIO-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@@H](C)NC[C@]2(C)CC=CCC2)CC1	2042068231	UDIGLQJVRXDFNL-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC1CCC1)CC1CC2(CC2)C1	2042746475	FTQZCBOETGQXAC-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)[C@H]1[C@@H](C)[C@H]1C	2043288479	ABJGVTIAZAJKEG-FSDCSDTHSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc(N[C@H](C)C2CC(C)(C)C2)cc1	2043547323	PDHGUKFMKVWSIW-CYBMUJFWSA-N	245.410	4.876	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC=CCCC1)C1CCC1	2045324287	UCVKXSUTRJHOLE-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@H](O)[C@H]2CCCC(C)(C)C2)c(C)c1	2045369087	ZCPVEZKRYANYEO-GOEBONIOSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@]2(C3CC3)CCCCCN2)C1	2045399583	LIDKNZVSNVCUCJ-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
C[C@H](CCC1CC1)NC1CC2(CCCCCC2)C1	2046226226	FSUXDKWASMDUOV-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CCNCC1(C[C@@H]2CC23CCCCC3)CCCC1	2047009197	PURQMAGTXKERQZ-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2[C@H]3CCCC[C@H]32)CC1	2048389624	LHZSTJQDNKWWCR-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(N)CC1CCC2(CC1)CC2	2049844735	DCKBERLMPOWIQG-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CC(=O)c1ccc(F)cc1	2050495368	SRMAFJWBFQYKMK-TZMCWYRMSA-N	248.341	4.615	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CC(C)=C[C@@H](C)C1	2051409086	OAKSETMMWIWOMF-DJIMGWMZSA-N	249.442	4.703	0	10	BJAE	
CC[C@@H](N[C@H]1CCC[C@H]1C(C)C)c1ccccc1	2053267826	UYFDAZYLUDTXSC-BBWFWOEESA-N	245.410	4.552	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@H]1CCC[C@@H]1C	2053924702	PTLHXCWJOSOGIX-VBQJREDUSA-N	245.410	4.636	0	10	BJAE	
CC1=C[C@H](N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CCC1	2055550323	SIZUUDSRBLVZSB-VVLHAWIVSA-N	249.442	4.536	0	10	BJAE	
CC(C)C1CC(C[C@@H](C)C(=O)c2ccccc2)C1	2056671702	NYJGHVOQEXDWPB-VQCLRJIVSA-N	244.378	4.578	0	10	BJAE	
CC[C@@H]1CC[C@@](CCC2(C)CC2)(CNC2CC2)C1	2059179826	FPCQPFCTCUWJRJ-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC1CC1)C1=CC[C@H](C(C)(C)C)CC1	2061095774	PKEPBVJIQDLASN-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C1=CC[C@H](CC)CC1	2061097309	BBAGBZKIPDMGCY-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CNCC1(CC[C@@]23CCC[C@H]2C3)CCCCCC1	2061610513	AMOHNIWAFXRRLT-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H](CC(C)(C)C(C)C)C1CC(=C2CC2)C1	2061646352	FDYJPMBHSOYTBS-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)C2CC(=C3CCC3)C2)CCCCC1	2061738766	GWBQUBHPNWRHTE-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CC(C)C[C@H]1CC[C@@]1(N)CC12CCC(CC1)CC2	2065340352	VPOBDXPXKKUZQA-MNAZLIDISA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(NC[C@@H]2C[C@@H]3CC[C@@H]3C2)CCC1	2068724808	RQAXGPKKRIRAAE-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc([C@H](O)CC(C(C)C)C(C)C)cc1	2068846706	ZYBQNTYBSGVOBK-QGZVFWFLSA-N	248.410	4.601	0	10	BJAE	
CCCC1(C[C@H](N)C23CCC(CC2)CC3)CCC1	2069345847	ZFELEISRAJXIRU-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1(CC2CCC2)CC1	2069564734	XBUJVVGODZETSN-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1CCCCC12CCC2	2070398192	LBQSDUKKGAPEMW-HZPDHXFCSA-N	249.442	4.824	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCCC23CCC3)CC1	2072801857	RNZSPJMLWSFKIC-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(N)CCCCCC23CC3)CC1	2072804083	ORRWRSCLTXESSV-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CCC=C2CC)CC1	2072877511	HCTIFBCWJUCTMC-DQPZFDDXSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@@H]2CCCC23CCC3)C1	2074893622	VYCYOVDQJWGAPN-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CCCc1ccccc1[C@@H]1CCCC(C)(C)C1=O	2076451862	YEIUEOFMTIVDBV-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccccc1C1CC1	2077261970	JISFTWHQKOUFLX-CJNGLKHVSA-N	243.394	4.945	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1ccc(C(C)(C)C)cc1	2079479762	ZROOGGVQBBEAHY-HIFRSBDPSA-N	244.378	4.603	0	10	BJAE	
C[C@@H]1CCC[C@]1(N)C[C@@H]1C[C@H]1C1CCCCCC1	2079661179	OMJNZGJHCHKBBB-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CC(CC2CC2)C1	2213390992	ZAXZRXRUPDGRIJ-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@@H]1CC[C@@H]1C	2215107080	YMCVMVORIFEAHD-JQWIXIFHSA-N	247.769	4.649	0	10	BJAE	
CCN[C@H](CCCCC(F)F)CCCC(C)C	2216431349	XVOJNESPHYUQJN-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
Clc1cc2ccccc2c(C2CCCCC2)n1	2217024482	VGVQSUKGELPUAG-UHFFFAOYSA-N	245.753	4.936	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CCC(C)C)CCC1(C)C	2217139110	RQXZSAHVGNIUFV-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1(CCC2CCCCC2)CC1	2217155101	ZOYBWKXGKRAPJL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218333645	RQCAEPZVPPNQAE-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCNC1C[C@@H]2CCC[C@H]2C1	2218729247	YGVSEWJBURFDNB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)c(NC2CCC(C3CC3)CC2)c1	2218894562	KSQPXAJXTDZZNE-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CCC[C@@H]2CC2(C)C)CC1	2221615283	KRFCOLVQHRAMFL-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@H]1CC)[C@@]1(C)CC=C(C)CC1	2221633650	VKERFXMGWPVLJN-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCc1cccc(C(=O)[C@@]2(C)CC=C(C)CC2)c1	2221642404	FDJMLMPZWBXTDW-KRWDZBQOSA-N	242.362	4.568	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CCCC2)CC=CC[C@H]1C	2223563705	VZOUWZPZHWMVKV-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC(C(C)C)C(C)C	2244773840	CSYCAEACFKRNSP-CYBMUJFWSA-N	226.404	4.700	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)c1csc(C)c1C	2246379348	WOLLIUJSFDPMJG-HZMBPMFUSA-N	248.391	4.540	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)CC1(C)CC(C)C1	2246453644	GTRZGQXQRYTGCV-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](C)(N)C2CCCC2)C1	2246681024	UFOVIWFEHSUGEF-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CCNC2(C)CCCCC2)C1	2246688577	UZASNRITJJSLHZ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1cc2ccccc2s1	2246859729	YFATXNHRFSDYLY-SWLSCSKDSA-N	248.391	4.617	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@@H]1CCC1(C)C	2247416579	JDAUUSBSWZZSSR-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C[C@@H]1CCCC12CC2	2247599733	GFALVTFRVXUNCQ-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H](O)CC[C@H]1CCCC12CC2	2247608147	HJTOOVFTYDYOFQ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)c1csc(C2CC2)c1	2248071974	ZXCGLYFOHVOGGP-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
CC(C)C1(C(=O)c2ccc(C3CCC3)s2)CC1	2250278335	JWAYRNANMZGUMG-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC1CCCCC1)NC	2250366669	MSEXMZOHZLWYFY-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](CC)c1ccccc1	2250378764	QBACRUSJVGBAAD-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)CCCCN	2250469983	VEYGKFFIKKNSOE-HOTGVXAUSA-N	241.463	4.994	0	10	BJAE	
CC(C)C[C@@H](C)[C@@]1(N)CC(C)(C)CCC1(C)C	2251658258	FWAUKCNFAJHVEP-CJNGLKHVSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1ccc2ccsc2c1	2253058036	BGAGXDNQLRZKLJ-UKRRQHHQSA-N	248.391	4.617	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@H]2CCCCC23CC3)C1	2253800524	PZUQXFGDCDZKCP-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C(C)(C)C1(N)CC[C@@H]1CCCCC12CC2	2253819409	JIAKWZQCJXVVLQ-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C[C@@H]2CCCCC23CC3)C1	2253831485	JGEVRFACGFFFDN-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@H]1C[C@@H]1C1CCCC1	2254603591	CILXXORTKRPMOO-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@H]1CCCC[C@H]1CC1=CCCCC1	2255141967	VNRPEUFAWKXTOG-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CCCC12CC2)CC1CC1	2255291147	MMWIUYXENDQXMU-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(CCNCC[C@H]2CCCC23CC3)CCCC1	2255332473	PSZNUHODJYNGHZ-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](NCCC1(C)CCCCC1)[C@@H]1CC12CCC2	2256429752	WGBKFVXKIDQNGN-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@](C)(N)[C@H]2CC23CCC3)C1	2256458170	MRZIDQGEVIXJDH-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC=C1CCC[C@H](CCN)C1	2257254558	HCJVHVZBAHEWKG-OIISXLGYSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)[C@]23CCCC[C@H]2CC3)C1	2260528225	RLNLBXKRUCKXBC-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C[C@@]12CCC[C@@H]1CC2	2260589190	WTULVXFKFMSPCZ-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@@]23CCCC[C@H]2CC3)CC1	2260632124	AWOVCDYFSOYLOW-LUKYLMHMSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(NC[C@@]23CCC[C@@H]2CC3)CC1	2260639015	QNCAPQIXZRNZDO-VXLLPVPCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@]23CCCC[C@H]2CC3)C(=O)C1	2260654997	BBQZYMBHHLYLKV-JKIFEVAISA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC=C(C)[C@H]1CC(C)(C)CO[C@H]1C	2297624058	SJQNVWHNHXDMMZ-LSDHHAIUSA-N	236.399	4.740	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@](C)(CC)C(F)F	2299828215	HYJBGORNSHNDMK-GXTWGEPZSA-N	249.389	4.616	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1cc(C(C)C)ccc1C	2300462367	AWRMWTRDAWQQFU-ZFWWWQNUSA-N	231.383	4.719	0	10	BJAE	
CCCCC[C@H](C)O[C@@](C)(O)CCCC(C)C	2300475962	RFIBRKGJKXDHRC-LSDHHAIUSA-N	244.419	4.507	0	10	BJAE	
CCCC1CC([C@@H](CCC(CC)CC)NC)C1	2300684122	QQBBMOWUNYWFDD-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H]1CCNc2ccccc21	2300701059	PCGLWZPDZVIRPJ-AWEZNQCLSA-N	231.383	4.802	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)CC1CCCCCC1	2301145762	RWMGSACCCOZPBL-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1ccc(C(F)F)cc1	2301830303	WLCRTDMBQDVRPW-QWRGUYRKSA-N	241.325	4.717	0	10	BJAE	
CC(C)c1ccc(F)cc1NC1CC(C)(C)C1	2301910841	RSYUKWGYVDTQRY-UHFFFAOYSA-N	235.346	4.550	0	10	BJAE	
CCC1(CC)CCN([C@H](C)[C@H](C)C(C)C)CC1	2301966169	AFWGGANBFMITLN-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@@H]1C(C)(C)C	2303401467	MPENOESJNHTKNN-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)C[C@@H](C)CC(C)(C)C	2303611053	QIYYWEUFSAKRDS-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CCCCCCN(C)CC[C@@H]1CCC(C)(C)C1	2304394384	QHRCNSISZUSDCQ-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1ccc(C)c(C)c1	2307903169	NXXDAAIKTBQTSG-ZBFHGGJFSA-N	233.399	4.520	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)C(C)(C)C1CC1	2307905073	VOZBLYZVIDMRSB-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@]2(N)C[C@@H]3CCCC[C@@H]32)CC1	2311022443	LQUNWBIJDQUPEX-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]1[C@@H]2CCCCCC[C@@H]2C12CCCCC2	2311935671	MGPLJJNVEGWMSH-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@]1(C)NCC[C@@H]1CC[C@@H]1CCCCC12CC2	2315195309	KYELESUJVKUVHO-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@@H]2CC[C@@H]21)CCCC(C)C	2316493512	YJEBPAAEADHVDB-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1[C@H]2CCCC[C@H]12	2316505314	ZDJSMAMHJTUHAU-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CNCC1(CC2CCCCCC2)CC2(CCC2)C1	2317015581	JONDEBZLIUZDNJ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
O=C(CC1CCCCCC1)[C@H]1C[C@H]1C1CCCC1	2317016892	WECKBZXCKADUPD-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@@H](C)[C@@H](C)C(C)C)cc1	2317825170	WBOTZYVGODDDJI-ZQIUZPCESA-N	247.426	4.738	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)CC1[C@@H](C)[C@@H]1C	2317903155	BZQJPDJAAPOREB-DZKIICNBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)CCC1=CCCCC1	2317965590	KZSWFOJWVODEOG-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CCC[C@H]1C[C@H]1C	2318928254	MTRLEOFETWWOFR-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CC1(CC(=O)CC[C@@H]2CC[C@@H]2C2CC2)CCCC1	2319699851	MCJWVSHJSWCCNH-GDBMZVCRSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@H](N)[C@@]1(C)C=CCCC1	2320241882	XULDDIBYXKAZRE-HWMZRRJGSA-N	249.442	4.523	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC(C)=C(C)C2)CC[C@H](C)C1	2320326595	GNFIKJULGSOOHO-IAOVAPTHSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@]23CCCC[C@H]2CC3)CC1	2320402733	VRMQFHMETPIAIS-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
CCC(C)(CC)[C@H](O)Cc1cccc(C(C)C)c1	2320654403	XCAJZCKOUOOBHI-MRXNPFEDSA-N	248.410	4.540	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2CCC3(CC3)C2)C1	2321642582	PMHHVLPQBQOSBU-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccnc(C(C)C)c1	2328320722	JEZPLGBLEUWIBV-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
Cc1ccc([C@H](c2ccc(C)s2)C(C)C)o1	5417652	VCHGFWTZVUVYAW-CQSZACIVSA-N	234.364	4.746	0	10	BJAE	
C[C@H]1CCC[C@H](NC2CCCCCCC2)[C@@H]1C	20011082	POCDIAUYVVNYHU-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)c1ccc(C)cc1	37864920	FFAVFNYYQOHDMT-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C)c1ccc(CC)s1	50887749	TUMLXDCKTLJBKF-VXGBXAGGSA-N	239.428	4.540	0	10	BJAE	
C1=CCC(Cc2ccc(-c3ccccc3)cc2)C1	59456238	SQCXUDBYFKDSEC-UHFFFAOYSA-N	234.342	4.862	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H](C)c1ccc(C)c(C)c1	70105577	YYIPWANLGHUNKP-RHSMWYFYSA-N	245.410	4.533	0	10	BJAE	
CC[C@H](N[C@H](C)C1CCCC1)c1ccc(C)cc1	70533232	HVMBTYMVJMRWEX-PBHICJAKSA-N	245.410	4.614	0	10	BJAE	
Cc1ccccc1[C@H](C)NC1CCC(C)(C)CC1	79620191	MKRXPMNDUBMDHC-AWEZNQCLSA-N	245.410	4.614	0	10	BJAE	
CCCCC[C@@H](O)c1ccc(C)c2ccccc12	79905628	CEEAIUHFYABIPX-QGZVFWFLSA-N	242.362	4.762	0	10	BJAE	
CCCCCC[C@H]1C[C@H](CCC)CC[C@@H]1N	82434153	USTGWWZAZQNSFS-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C)C(CC)CC	82632470	MPQCVOCXTQKBRA-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCC(C)(C)C)C1	83783992	MGPXNABUWSOPFB-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C)C[C@@H](C)CC	83864843	XSAIYVKHDLIJOH-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](O)C1CCCCCCC1	87690124	BBKRCIJYLQPYJS-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CNC[C@H]1CC12CCCCCCCCCCC2	104168740	OSZULMAYQHOOAV-OAHLLOKOSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)Cc1ccc(C)cc1	109713868	AYRDMKLIOSLPQJ-DOTOQJQBSA-N	248.410	4.505	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)c1csc(C)c1	129419409	WARKVNCHUUTYQR-OCCSQVGLSA-N	239.428	4.533	0	10	BJAE	
C/C(=C\C1CCC(C(C)(C)C)CC1)CNC1CC1	130367586	NBAYBIMOMHSXSO-ACCUITESSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cnc([C@@H]2CCC[C@@H](C)C2)s1	132187962	KOOKNCOYOSTHPZ-GHMZBOCLSA-N	223.385	4.560	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C1CCCCC1	148240585	GYSMLGLLLFDSJU-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](NCCCC1CCCCC1)c1ccccc1	224733346	IFXYMWZSTUDVJA-OAHLLOKOSA-N	245.410	4.698	0	10	BJAE	
CCCCC1CCC([C@@H](O)C[C@H](C)CC)CC1	229281059	DNNUYFFDNPLERE-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cc(C)ccc1Cl	232229234	MJSLMZDGURVCLJ-YPMHNXCESA-N	237.774	4.639	0	10	BJAE	
C/C=C/Cn1ccc2c(Cl)cc(Cl)cc21	232555089	QPWJJARWULMBOU-NSCUHMNNSA-N	240.133	4.524	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(C(C)C)cc1	233289266	XIUFWLIPPXKYAU-CQSZACIVSA-N	219.372	4.801	0	10	BJAE	
CC[C@H](C)C[C@H](C)Nc1ccc(C(C)(C)C)cn1	234005980	UKJJOBITJWDKKC-STQMWFEESA-N	248.414	4.616	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1	251392086	WSWPPJOZVFRJDP-GZIXRCOHSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@H]2CCC[C@H](C)C2)CC1	251883312	VJMRCZKNWVEUOC-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@](O)(CC)CCC	300352894	QVQVRSWLOPPQPP-KBPBESRZSA-N	214.393	4.534	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C(C(C)C)C(C)C)cc1C	302603706	WTESWBUNKKDLKO-QGZVFWFLSA-N	247.426	4.540	0	10	BJAE	
CCCC[C@H](CCC1CCCCC1)NC(C)C	305895855	HUMPKQUWKTZAPU-MRXNPFEDSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H](N[C@H](C)CCC(C)(C)C)c1ccccc1	306030558	LDWVFDMIMUSCPS-GDBMZVCRSA-N	247.426	4.942	0	10	BJAE	
CCCN[C@H](C)c1ccc(C2=CCCCC2)cc1	306108410	USLHKQPSSPOPSS-CQSZACIVSA-N	243.394	4.705	0	10	BJAE	
CSc1cc2ccsc2c(S)c1Cl	307060145	IQWJDKQAEUOBCM-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CCC(C)(C)C)NC	308049382	KLUOVTAVGIWTAE-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)C(C)(C)C(C)(C)C)C1	310551573	GOSSAHWZPQQPCC-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)c1nc2c([nH]1)CC[C@@H](C)[C@@H]2C	310943551	OXFOLPLAYRZPTP-AGIUHOORSA-N	248.414	4.779	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](CCC)C1CCCC1	313408278	LXXPIKROVMDFFT-ZBFHGGJFSA-N	239.447	4.904	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)[C@@H](C)[C@@H](C)CC	319475632	ADUORSYHTCJVGB-ZQDZILKHSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](N[C@@H](C(C)C)C1CCC1)c1ccccc1	325074454	XALKCXVDORIXQX-IRXDYDNUSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@@](N)(CC)CCCCCC(C)C	383282705	PKZMGZQDVJKNFT-HNNXBMFYSA-N	227.436	4.891	0	10	BJAE	
CN[C@@H](CCC1CCC(C)(C)CC1)C(C)(C)C	383679008	OGCLCPKJUFXBAM-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC(=O)C2CCC(C)(C)CC2)CCC1	383884240	KGNCJWRXVZDHRC-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
NCC1(CCC2=CCCCC2)CCCCCCC1	384939933	JVZKOSAEEUYQSB-UHFFFAOYSA-N	249.442	4.956	0	10	BJAE	
C[C@@H](CCNC(C)(C)C)C[C@@H](C)c1ccccc1	385007557	WJCNNLOOUSEABY-LSDHHAIUSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cc2cccc(F)c2o1	385348766	DMTNXLZLOWHBOT-JTQLQIEISA-N	248.297	4.581	0	10	BJAE	
CC[C@H](Nc1cccc2ccsc12)C1CC1	386261677	VTRLYQHOPVEVCP-LBPRGKRZSA-N	231.364	4.502	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C(C)(C)C(C)(C)C	386809924	NTGCLNRWNZXHMG-HNNXBMFYSA-N	247.426	4.882	0	10	BJAE	
CC1([C@H](O)C2CCCCCC2)CCCCCC1	394587984	HDEUWENXCZKZLX-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
Cc1cc(F)ccc1NCC1(C)CCCCCC1	394611627	BIBOCQRAXWPSOY-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCc1cccc(C)c1NC[C@@H]1CCCC[C@@H]1C	394876290	DNBRLMTWGRTJPV-BBRMVZONSA-N	245.410	4.796	0	10	BJAE	
CCc1cc(SC)c2sc(CC)cc2c1	396172597	YBQURUZBAPJMED-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cc2sc(C(F)(F)F)cc2cc1F	396292884	FWHWLEKAVIWYRC-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
C[C@H](Nc1ccc2sccc2c1)[C@@H]1CC1(C)C	397568222	BQSUUOHJXRXNQX-GWCFXTLKSA-N	245.391	4.748	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@@H](C)C(C)(C)C)c1	399210307	PMVWGBWUACFVBV-CYBMUJFWSA-N	246.394	4.750	0	10	BJAE	
CN[C@@H](CC1=CCCC1)c1ccc(C(C)C)cc1	400455315	IMPNYHHXGAPOJM-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC[C@H]1CC[C@H](CCC2CCC(=O)CC2)CC1	642881570	JCJSWOPNUIFRRN-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CC(C)(CC(=O)C1CCCCC1)c1ccccc1	686742960	WRDMZLJYHKYJSV-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCC1([C@H](O)[C@H]2CCCC[C@@H]2CC)CCC1	686922537	YCRATWJKWGJOET-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)c1cccc([C@@H](N)CCC2CCC2)c1	691650190	GMJKWCQZQMBNBA-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@]23CCCC[C@@H]2C3)CC1	693545475	IMHPFZUMTCHFOX-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@H]1C1CC1)C1CCCCC1	696105882	RKQGLJIPMVXDFJ-RRQGHBQHSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)CC)C(C)(C)C	696800849	XVXWYMCKDCMZLO-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@]1(CC2CC=CC2)CC[C@H](CC)C1	700921126	IVNUOMYSPLOBME-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@](N)(CC1(C)CCCC1)[C@@H]1CC1(C)C	704471183	CBJFRRATKMUGLK-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C/C=C/[C@H](NCCC)c1ccccc1C(C)(C)C	704640686	WDTQCIVHKNAPNT-DHINHOHASA-N	245.410	4.601	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1cccc(F)c1C	709236119	XWBNMWVNPHHXOJ-XJKSGUPXSA-N	249.373	4.905	0	10	BJAE	
Cc1ccc(OC[C@@H]2CC3CCC2CC3)c(C)c1	709461166	MKJZFANKJQUNKN-GPANFISMSA-N	244.378	4.509	0	10	BJAE	
CCCCCC[C@H](C)Nc1cc(C)c(N)cc1C	710673781	KBGSLMBPWLMPSR-AWEZNQCLSA-N	248.414	4.656	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1C[C@H]2CC[C@H](C2)C1	710927143	UVUKAQDPPLUESA-ITGUQSILSA-N	249.785	4.639	0	10	BJAE	
Cc1cccc(N[C@@H]2CC(C)(C)CC[C@@H]2C)c1F	713065762	LARINMMGIXLTGT-SMDDNHRTSA-N	249.373	4.761	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CC(C)(C)CC[C@H]1C	717532182	KNQGROWSLZFWRS-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCC(C)=C(C)C)[C@H]1C	718653940	QZZXEMHUHLJKCI-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@]1(O)CCCCCC1(C)C	719261024	ORQCHKOWTDKGMQ-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C[C@@H]1CC1(C)C	722558523	MNPZXHOEECLTHR-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)N[C@H](C1CCCCC1)C1CC1	724012070	VKVRUCMOTJSRIR-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
Clc1ccc(CSCC2CC2)c(Cl)c1	1166246448	HHSSVHANASYCPL-UHFFFAOYSA-N	247.190	4.637	0	10	BJAE	
CC(C)CCC[C@@H](C)NC1CC(C(C)(C)C)C1	1182060999	AGHLIDLMLLQFFD-WLYUNCDWSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCC(F)(F)C1	1258432436	QLGVXPHXPGYPJH-STQMWFEESA-N	247.373	4.513	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@H](C)C(C)(C)C	1560127950	ZVYIRTLUYZQYDE-GJZGRUSLSA-N	241.463	4.817	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1cccc(C2CCC2)c1	1560855856	DXEQFOINTFQXEQ-MLGOLLRUSA-N	229.367	4.555	0	10	BJAE	
CCC(CC)CCNc1c(C)cccc1C	1900699830	FPWRAXJMFOGBLU-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CCCCC[C@H](O)CCCC1=CCCCC1	1901966125	GRDFXVDRNGOQNP-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@]1(CCC[C@@H]2C[C@@H]2C)CCCCCN1	1908568878	VAVSBZWDUCLUFJ-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H]1C[C@H]1C(C)C)C(C)(C)C	1910793108	JBEYECTYWOBPFM-NFAWXSAZSA-N	238.415	4.700	0	10	BJAE	
C=CC=CCC[C@]1(CNCCC)CCC[C@@H](C)C1	1912030816	AKGAMMYCTHDKJK-SJORKVTESA-N	249.442	4.705	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)CC)C=CCCC1	1916566552	XYNOATAAPQEWQW-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	1917349976	IPLODRLIDODORY-BFYDXBDKSA-N	243.394	4.630	0	10	BJAE	
CC(C)=CC[C@@]1(CNC(C)C)CCCC12CCC2	1921593353	VMIXQPZVBSJYEP-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)NC[C@@]1(C2CCC2)CCCC12CCC2	1921618166	ZKHBRYUKOZKFEV-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)[C@H](C)C1CCCC1	1924078786	PHKYJTKPBRMFRE-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](N)[C@H](C)C2CCCCC2)c(C)c1	1924135238	JAXPYZSUFFCFOM-PBHICJAKSA-N	245.410	4.520	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)CC(CC)CC	1926168669	FLINXEYGPRCYMT-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCN[C@@H](C)CC1CCCCC1	1926170239	IFXYPSPZUIFVMI-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H]1CCC[C@H](CC2(C)CCCCC2)C1	1940409139	NTFNUKWNFBDCIM-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@]1(CCCC2(C)CC2)CCCCCN1	1940876176	KPYQNTGIHZQDGJ-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CCc1ccc(N[C@H]2CC[C@@H]3CC[C@@H]32)cc1Cl	1941023388	DTFFTJHDPUMLLP-WHOFXGATSA-N	249.785	4.503	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CCCCCC1CC1	1941598250	XBGIUHCVWOULSE-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](CN[C@H]1CCCCCC1(C)C)C(C)C	1941929995	WEWZBKBZIZFYCE-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C1(C)CC(C)C1	1941984416	UNDCWJRMTQQGTR-JWMHWRSXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC1(N)CCC2(CCC2)CC1	1944603016	YDWJGAPLMLTESU-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)(C)C)C(C)(C)C(C)C	1944673926	RIVQDBHZQUYQHP-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)[C@H](C)CC(C)C)C1	1948328930	XLKHVDRLHIAIRA-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC2=CCCC2)CC1	1949035075	JOHKMQSPBJGXMI-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CCC1=CCCCC1	1949044305	VMFMIVIZJCNINP-GDBMZVCRSA-N	237.431	4.811	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCCC[C@@H]1C(C)C	1949047170	NXBIILSHADHIIC-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(CC)[C@@H](N)[C@@H]1CCC2(CCCC2)C1	1949596913	REWGZUCOPJRYRT-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)C1(CC)CCC1	1951243329	GIGAUDNXGWPIGG-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCN(C)CC[C@@H]1CCC[C@H](C)C1	1962921494	LGWOKXBWPGJCLB-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
C1CCCC(CN[C@H]2CCC[C@@H]2C2CC2)CCC1	1966048456	MFGGTKNQUDASKF-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1CCC[C@@H](CC)CC1	1976342465	NZTJJZOEFWKDOV-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCC(=O)CCC[C@@H]1CC1(C)C	1978429272	ZAINSIQMNCSEDO-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC[C@@](O)(CCC(C)C)[C@H](C)CCC(C)C	1986944754	SYTUPISJPAAPKU-HUUCEWRRSA-N	228.420	4.636	0	10	BJAE	
CCCCC[C@](O)(CC)CC(C)(C)C(C)C	1990093878	PLSYXABTMYHBHN-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CC[C@](O)(C[C@H](C)CC(C)C)C1CCCCC1	1996548354	QVSYVSQUTKPPHD-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
c1ccc(SC2CC2)c(NCCCC2CC2)c1	1996558313	MJUKDKJZAVRAGO-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1ccccc1C(C)C	1996612039	VVJSSTNLUACNJN-HNNXBMFYSA-N	234.383	4.670	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC=CCCC1)C(C)(C)C	1999990481	KIHSSRYRBOCFEF-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@@H]1CCC=CCCC1	1999992196	FJKQNWCFEAFKFN-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
Cc1cccc(C)c1N[C@@H]1CCCC(C)(C)C1	2000061341	DJQTZVRKHURXMH-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
CC(C)C1(C(=O)c2ccc(C3CC3)s2)CCC1	2000192293	QXTAPOQFDMZDPP-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC1(C)CCCC1	2000308943	MQTXZRBKYKOLBZ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC([C@@](C)(N)[C@H](C)[C@@H](C)CC)CC1	2002970342	NRPGRGDYGKXWPT-WUPYBSFASA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)CCC2CCC2)C1	2003022605	URAUCXOLMGMTKD-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC1CCC([C@H]2CCCCCCCC2=O)CC1	2003070162	IZBBWCRJPGWNRG-YMAMQOFZSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CCCCCC[C@@H]2O)C1	2003101730	YGWIFKBCBNYCFX-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CC(C)(CC[C@H]1CCCCCCC1=O)C1CC1	2003117829	PHJZMHBAPVVZKL-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@H]1CC=C(C)C	2004228799	XYFOQSPJFUGBLG-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCCC2(C)C)CC1	2004351208	SNDFFURORCYSQC-BBBYJDLNSA-N	237.431	4.514	0	10	BJAE	
C[C@H](NCCC1CCCCCC1)C1(C)CCC1	2004832551	FCQFLELRZRGOJA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@@]1(CO)CCCCC12CCC2	2005577977	XJDGWNRUPSOCCV-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC)C[C@@H]([C@H](C)CCC)C1	2006621495	BDBOLVFXULESAG-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1NC1CC(C)(CC)C1	2009296339	FSKWMLCERPWLMG-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)CC[C@H]1CC(C)(C)C	2009420688	QMQKSJWPOYKTLO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCOc1cccc2ccccc12	2009566678	HEVJXUORGGUFOJ-NSCUHMNNSA-N	226.319	4.575	0	10	BJAE	
C/C=C/CCCC(=O)C1CCC(CCC)CC1	2009566976	KYORMCNMYLBZCM-HWKANZROSA-N	236.399	4.908	0	10	BJAE	
CC=CCCCC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	2009576199	JDLFJJVLHFXFPZ-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
CC=CCCC[C@@H](O)c1ccc2sccc2c1	2009590936	QZMZEIVHXLDYTC-CQSZACIVSA-N	246.375	4.681	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@@H](NCCC)[C@@H]1CC	2009617701	VQXWVNKZWHCDFG-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(O)(CCC(C)=C(C)C)C1	2009715136	BHISYPXVXWSUJL-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC[C@]12CCC[C@H]1C2	2011011387	OGQCREKAMQGFCV-DZKIICNBSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC[C@]12CCC[C@@H]1C2	2011011388	OGQCREKAMQGFCV-LZWOXQAQSA-N	236.399	4.742	0	10	BJAE	
C[C@H](C[C@]1(N)CCCCCC12CC2)C(C)(C)C	2011273820	FLIWAUFDMQBPHP-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC(=O)CC1C[C@H]2CCC[C@@H]2C1	2011946454	BITNPMHDGBJTQR-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H](C)C1CC2(CC2)C1	2012411702	LZCHDVPAFKIDAL-LLVKDONJSA-N	249.785	4.639	0	10	BJAE	
CC(C)(C)C1(O)CCC2(CCCCCC2)CC1	2013203051	ROPAKXFDOMKWFU-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](N[C@@H](CC)CCC(C)C)C1CCC1	2013266403	GMOKAKYZEBRCAL-JKSUJKDBSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1(C)CCCC1)C1CCCC1	2014335031	QHQYDTPWDGDAHW-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)C(C)(CC)CC	2015274703	ZHNGTNADIKTQQG-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC1CCC(C(=O)CC(C(C)C)C(C)C)CC1	2015377855	KOAYZWKXSKVMRT-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H](C)CC(=O)[C@]1(C)CC[C@H](C)C1(C)C	2015385335	DCZFUXJUJVOCBQ-WWGRRREGSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C1(CC2CC2)CCC1	2015750999	NWWBFZLOYKJDKU-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@H](O)C1(CC(C)C)CC1	2015755160	OCSPRSKFGRIPSZ-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)C1CC(C)(C)C1	2016143377	FDGOTNLQMCRDHR-ZIAGYGMSSA-N	237.431	4.536	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]2C2CCC2)c(Cl)c1	2017042531	JFYOFIXCNXFGSM-GXTWGEPZSA-N	249.785	4.639	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CC1(C(C)(C)C)CCC1	2017112748	REERGFVKPBSLRD-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)C1(C(=O)CC2CCCCC2)CCC1	2017132946	LHRNUYOONQSUMK-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)C[C@@H](CC1(C(C)(C)C)CCC1)NC	2017143247	LPTGYLRSRQHLOX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@](O)(CC)C(C)C)CC1	2017650779	LHPHOISXAFEVTM-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)C[C@H]1CC[C@H](C)CC1	2017652537	ILPRUWQLQHPQTC-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@H]1CC12CCCCC2	2017705418	IIFOISBQCCPNKF-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](N)(CC)CC1(C(C)C)CCC1	2018133494	FKYXYKLOOBAQLZ-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1CCCC[C@@H]1C	2020966438	FRWHORRBWUDIIV-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCC[C@@H]2CCCC[C@@H]21	2022994273	PXKGOEFUIGMTRA-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1CCCC(C)(C)C1	2024102878	WRWMEYPOBLQRQV-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
C[C@@H](Cc1nc(C2CCCCC2)cs1)C1CC1	2026606601	FOEIBRCLQXTHCF-NSHDSACASA-N	249.423	4.779	0	10	BJAE	
CC(C)=C(C)CCN1CCC[C@@H]1C1CCCCC1	2027023362	FGDGYZMCJKWTQA-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1[C@H](C)CC[C@H](C)[C@H]1C	2027793487	MWGRQVBASAYEGQ-LRQBHLAOSA-N	249.373	4.617	0	10	BJAE	
N[C@@]1(CCCCCC2CC2)CCC[C@@H](C2CC2)C1	2028637173	OHVCLKFZVGESNY-SJORKVTESA-N	249.442	4.645	0	10	BJAE	
C=CC=CCC[C@H](O)c1ccccc1C1CCC1	2029076784	BVTZRNKRIBRQDP-KRWDZBQOSA-N	242.362	4.510	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cccc2c1CCCC2	2029688113	WQOJFRYDKDDSQR-ZDUSSCGKSA-N	244.378	4.574	0	10	BJAE	
C1CCC(C2(NCCCCC3CC3)CCC2)CC1	2033059295	SJPJHOFKWAYOCV-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
O=C(CCCCCC1CC1)C1C[C@H]2CC[C@H](C1)C2	2033101851	VDKSSLCBQSUICY-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C23CCC(CC2)C3(C)C)C1	2033434227	BLVUWPUTPQSAPM-WIJYIZELSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)c1c(C)coc1C	2035533504	LGUZRTWIRGRJNG-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)Nc1ccc2[nH]ccc2c1	2036383881	PXRZTMHUYBRVIB-STQMWFEESA-N	244.382	4.651	0	10	BJAE	
CCC1(C)CC([C@@H](NC)C2=CCCCCCC2)C1	2036487338	QRLFCYMQJTZPJF-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@@H]1CCC[C@@H](C)C1	2037105347	ZSKUTJQNZYGAPF-DLTWYDFYSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CCCC(C)(C)C)cc1C	2037106039	XVQCVONHHQTZBE-INIZCTEOSA-N	247.426	4.828	0	10	BJAE	
C[C@@H](CC1(N)CC(C2CCCCC2)C1)C1CCC1	2037162875	RWUUPULTUIKNSQ-IGEOTXOUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(N)CC[C@@H]2CCCC[C@@H]21	2037176072	PHSZNSLTGFIALJ-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2CCC=CCC2)CC1	2037207863	IUSRDHNTSGUPDU-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCC(C)(CC)[C@](N)(CC(C)C)c1ccccc1	2037217135	YUTUOSRDIJFWCC-KRWDZBQOSA-N	247.426	4.713	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@H]1C=CCCC1	2037304786	INKRUAGGAVVMSH-ZOBUZTSGSA-N	247.426	4.587	0	10	BJAE	
CCC[C@@H](N[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCC1	2038548241	GJHATSWGCSEVIF-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CNC2C[C@@H]3CCC[C@H]3C2)CCC1	2038554321	WCCREMRCADGFDA-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)[C@H]1CC12CCCCC2	2039056557	YBOKSZVKRRBHBK-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N(C)C[C@@H]1C=CCCC1)C1(C)CCCCC1	2039832805	FCTUBOVRXSEFFJ-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
C1=C(CN[C@H]2CCCC3(CCCCC3)C2)CCC1	2040765597	SBNSLBFBVIAHDV-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
N[C@@]1(C[C@H]2C=CCC2)CCCC2(CCCCC2)C1	2040766410	DCKQKCSIGSRQOW-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2CC3(CC3)C2)CC1	2041375620	JFHGGPOIEMOVBK-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)c2cccc(C)c2)CC1	2041383772	PWEBARIOUHMCBD-INMHGKMJSA-N	246.394	4.635	0	10	BJAE	
CC(C)(C)C1CC(CC[C@@H](N)c2ccccc2)C1	2043001050	PJOFAMAUSBADFS-AVVWSFFYSA-N	245.410	4.539	0	10	BJAE	
C[C@H]1CC(N[C@H](C)CC2=CCCCC2)C[C@H](C)C1	2043189861	DWJCOMUUGKTLLD-RBSFLKMASA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](C)c1ccc(C)c([C@H]2CC2(C)C)c1	2043819661	AKIPGALREFZMCE-CZUORRHYSA-N	245.410	4.569	0	10	BJAE	
CC(C)(C[C@@H](N)C[C@@H]1CCC=CCCC1)C1CC1	2045324286	UCKHIAIDUPUNKV-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
N[C@@H](CC1=CCCCC1)C[C@@H]1CCC=CCCC1	2045324456	WCPMVQYRQJDXFC-NVXWUHKLSA-N	247.426	4.731	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)[C@@H]1CC[C@@H](C)C1	2045324674	XXGRKGGOANTFCR-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2C[C@H]3CCCC[C@@H]3C2=O)C1	2045455764	VBNFXPSWHKJYDH-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2CCCC3(CC3)C2)C1	2049853524	HGNFKQZNZQQIDK-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCC1CCCC1)CC1CCC2(CC1)CC2	2049861671	UVYCDCSZYAXAMK-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CCCC3(CC3)C2)c1	2049949616	AHKNAKHXVUOQCX-CQSZACIVSA-N	242.362	4.538	0	10	BJAE	
CN[C@@H](CCCCC1CCC1)c1ccc(C)cc1	2050440881	YTGNBJHHERKISZ-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCC1(C)CCC(NC2C[C@@H]3CCC[C@H]3C2)CC1	2051600777	YMVOBQREDFPHGY-JPQBHMHHSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@@H](C)C1CCC1	2056884036	ROQYAHLKHCWMFA-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(Nc2ccc(C3CC3)cc2)C1	2059391771	HKACEEOQOJUHML-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
C=C=CCCC[C@H](CC1CCCCC1)NCCC	2061564911	AEWXRTMUBGKDAT-QGZVFWFLSA-N	249.442	4.836	0	10	BJAE	
C=C=CCC[C@@]1(CNC(C)(C)C)CCCC[C@H]1C	2061566170	JWZYVSKWURVXSJ-WBVHZDCISA-N	249.442	4.692	0	10	BJAE	
C1CCCCC(NCC[C@@]23CCC[C@@H]2C3)CCC1	2061572769	SYZNLDPWUFZJGL-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC(O)(CC2CC(=C3CCC3)C2)CC1	2061681646	BVCIQMQDMPXOSN-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(CN[C@H]2CCCCCC23CC3)CC1	2062020029	LHYSIABLNSDGOO-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCC1	2063491353	QZQMSFDMCOVPOZ-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)C1CC2(C1)CC(C)(C)C2	2063807056	BYSSCHBZJOMTNJ-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H](NCC)C1CC2(C1)CC21CC1	2064002562	NVVWLAFLHIFVBD-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)NCC1CC2(C1)CC21CCC1	2064083006	MGEMMWWRXQFGEC-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)C[C@@H]1C=CCCCC1	2065942224	HZEIEDKTJZSCDS-NVXWUHKLSA-N	249.442	4.633	0	10	BJAE	
C[C@H]1CC(CC(=O)C2(CC3CC3)CC2)C[C@H](C)C1	2069501986	YVLAAXAGRYMATH-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(C(=O)CC2[C@H]3CCCC[C@H]23)CCC1	2071927688	CPTQGVUTXJYVNX-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1([C@H](N)C2=CCCCCCC2)CCC1	2071935333	ZKASKNJZNXMFRY-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(CNC)CC=CC2)CC1	2072805934	HFCLUGKRBOPQFU-WKILWMFISA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)c1ccc(C)o1	2074641986	PAPCMRLFSPQDJI-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CN(CCC1=CCCCC1)C1CC2(CCCC2)C1	2075148206	ZKBYPLVOAYDILC-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
C=CC=CCC[C@H]1CCCC(C)(C)[C@H]1NCCC	2076402146	RVRVLAISVBIEHF-HOTGVXAUSA-N	249.442	4.703	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1Nc1ccccc1C1CC1	2077261749	DHNRRXAXRGPYHI-ZBFHGGJFSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2C[C@@H]2C2CCC2)CC1	2079329519	SDVFWZBVSHTKNW-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(N)(C[C@H]2C[C@@H]2C2CCCC2)CC1	2079666236	PYCLIKSLXWQUST-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C1CCCCCC1)[C@H]1C[C@@H]1C1CCCCC1	2079833246	SBVUNTAEHQROSA-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@@H]1CCC[C@@H]2CCCC[C@H]21)C1CCCC1	2081140355	IZPFGAUTNRBYMD-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C)c1ccccc1[C@@H]1C[C@@H]1C(C)C	2082714381	CUGVSDBIVJHHEA-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CCCCC[C@@H](C)NCC1(C)CC2(CCC2)C1	2215317564	GBMOFFQGOBTZDX-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@](C)(N)CC2CCCC2)C1	2215393103	KJVWRKFBUAJALF-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](C)(CN)CC1(C)CC2(CCC2)C1	2215398163	KBZRIWXTORPDJS-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)c2sc(C)cc2C)CC1	2215819765	YPKDTHAIZRRYNQ-GJZGRUSLSA-N	249.423	4.501	0	10	BJAE	
CC(C)C[C@@H](O)CCCCCCCCC1CC1	2216878560	DNNOTXOKDCCNHJ-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1CC[C@@H](CCCCCCCC2CC2)CN1	2216892420	IYTXMQYYVXXCBD-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
Clc1cc2ccccc2c(CCCC2CC2)n1	2217020113	GVWBOBMPUDMFJI-UHFFFAOYSA-N	245.753	4.621	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1C[C@H]1C1CCC1	2218731904	NBNQRBGRLRJJHI-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)CC=Cc1ccccc1	2219066171	LPHRBKUJTFJEOG-ZBFHGGJFSA-N	246.394	4.523	0	10	BJAE	
Fc1cccc2ccn([C@H]3C=CCCCCC3)c12	2220309153	LVJGIAOWAFOMNQ-AWEZNQCLSA-N	243.325	4.842	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](O)[C@]2(C)CC=C(C)CC2)CC1	2221614744	WNBRRPYICOXRTR-DJIMGWMZSA-N	248.410	4.620	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@]1(C)CC=C(C)CC1	2221630545	JMECNJXAFISJKC-PRPGUUAMSA-N	249.442	4.847	0	10	BJAE	
CC1=CC[C@](C)(CNCC2CCCCCC2)CC1	2221642601	HJLJYEJCLNRJBS-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)c1c(C)cc(C)cc1C	2222001556	MSEFGWUKEAKLPW-SJCJKPOMSA-N	248.410	4.646	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)N1	2222950602	YDHDCCPRAPAQLE-WRQOLXDDSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC(=CCCCCCCC2CC2)CN1	2223112134	ZZTPGJPOLIAUKS-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CC[C@@H](C)C2)C=CCCC1	2223555005	ZAWYUMQMOZXGJB-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](CC)(CN[C@@H](C)CC)c1ccccc1	2223558440	MQEJRBDINFAZBV-DOTOQJQBSA-N	247.426	4.523	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@H]1CCCC[C@@H]1C)N2	2224127344	ILRNZMRFQYSIOC-JLJPHGGASA-N	243.394	4.548	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@H](C)c1ccccc1)CC(C)(C)C	2224166127	QKDNKVHJURJRRN-SQWLQELKSA-N	247.426	4.580	0	10	BJAE	
CCC[C@H](CCC1CC2(CCCC2)C1)NCC	2246812744	GNFRQMVHWWRNRM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(N)(CCCCC[C@@H]1C[C@@H]1C)C(C)C	2248876172	AREDXWQGCHEMCC-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC1CC1)Nc1cccc(C(C)(C)C)c1	2249257466	FYHXQVUQKMPXFC-LBPRGKRZSA-N	231.383	4.585	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C(F)F)[C@@H](C)CC	2250070427	WIOKILDUPAXYHL-AVGNSLFASA-N	249.389	4.615	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C(F)F)[C@H](C)CC	2250119904	WIOKILDUPAXYHL-JHJVBQTASA-N	249.389	4.615	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1CCCCC1)NCC	2250358276	LJUWJVJDLWWSMP-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@]1(C)CCCC1(F)F	2250361154	KCTCHYFUDCWCLI-WCQYABFASA-N	246.341	4.597	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)[C@@H](C)C(C)C	2250467171	OGHDRCLUTBKZBA-CVEARBPZSA-N	241.463	4.815	0	10	BJAE	
CCCCCCN[C@H]1CC(C)(C)CCC1(C)C	2251680356	BSIOUWVMSDRXOT-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@@H](CC2(C(C)(C)C)CCC2)C1=O	2251725160	SYVRUAASECJUEA-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@]1(CC[C@@H]2CCCCC23CC3)CCCN1	2253879901	GZFVRBBDOXZRFY-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@H](N)C2CC3(CCC3)C2)C1	2253935836	PTRKOQJVOHBUJY-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCCC[C@H]1C[C@H]1C	2254604121	GUSBZIOQPBHMPS-DMRKSPOLSA-N	249.442	4.523	0	10	BJAE	
CCc1ccccc1C(=O)CCCC[C@@H]1C[C@H]1C	2254612413	WEXCEWDPHSVLIJ-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H]1C[C@@H]1CC(C)C	2255136957	PMJJOKQCDUFEIP-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(N(C)CCCCC[C@@H]2C[C@@H]2C)c1	2257283582	NEIMRBQWHNDMQO-JKSUJKDBSA-N	245.410	4.648	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNc1ccc(CF)cc1	2257361884	OQBTXNCCEAOKGG-UKRRQHHQSA-N	249.373	4.784	0	10	BJAE	
Fc1ccc(C2CC2)cc1NCCC1CCCC1	2259108766	TWRXCWDIJRJOFN-UHFFFAOYSA-N	247.357	4.695	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)c1cccc2ccoc12	2259442271	HLHHPVLQNZIWBS-WFASDCNBSA-N	245.366	4.520	0	10	BJAE	
Cc1ccc(NC[C@@]23CCCC[C@H]2CC3)cc1F	2260631698	ZJALKIPJJUTXLK-BBRMVZONSA-N	247.357	4.516	0	10	BJAE	
CCCC1(Nc2ccnc(C(C)(C)C)c2)CCC1	2260746784	MVJXQUDQJDYHOF-UHFFFAOYSA-N	246.398	4.514	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1CCNc2ccc(F)cc21	2261337505	GKQCQOPWGIFAFC-GXTWGEPZSA-N	249.373	4.797	0	10	BJAE	
C=C=CCC[C@@H]1[C@@H](NCC)C(C)(C)CCC1(C)C	2261441446	DFHVOCZTHHNBBY-HUUCEWRRSA-N	249.442	4.548	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@@H](C)CC1CCC1	2298908677	RKLDGTWVPBFYRF-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C1CC(C)(C)C1	2300679654	VSJGTLDCWPVKAG-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCCCCC[C@@H]1N	2300687005	XEKSRSRERNDSFH-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CC1CC(C)(C)C1	2300899246	MGRPGHBSDUAKJC-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)C[C@@H](C)CC(C)(C)C	2301702231	VMLACJVVTORDAR-KKUMJFAQSA-N	241.463	4.671	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1ccc(C2CC2)cc1	2301967955	NQJHXUKCRQRTNH-CHWSQXEVSA-N	231.383	4.657	0	10	BJAE	
C[C@H]1CCC[C@H](CCCC2(N)CCCCC2)C1	2302566596	UVMPWUZESMXUOM-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CCCC(C)(C)C(=O)CC[C@H]1CC[C@H]1C1CC1	2303161011	LEJJQFADMGKJGM-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCC)CNCC(C)C	2307833162	ZEGOSVLISFIOCX-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
N[C@H](C1CCCCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309181503	BNWPBDIDVQNNTB-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2312460865	SAYKRGHNZZVAPW-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312959076	ZMTVHAYHQRYVQJ-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313323594	FIUXYNNKBDIXKI-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C(CC2CC2)CC2CC2)C1	2313704078	HVSVJPDAJXZLKV-SWLSCSKDSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@H]1CC2CCC1CC2	2316871910	GIWASNXIRNGVGA-SJJHQCBESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316884761	JLYCSOYUQIANNM-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCC1=CCCCC1)C1CC(C2CC2)C1	2318502938	LWTMYJMNBZQEDE-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCCCC1=CCCCC1	2318524890	TVJXXTPMEBFINP-DOTOQJQBSA-N	249.442	4.825	0	10	BJAE	
Cc1cc([C@@H](N)CCCC2=CCCCC2)c(C)o1	2318576555	QGLKQNRVFCRXJB-INIZCTEOSA-N	247.382	4.567	0	10	BJAE	
CC[C@@](C)(CCCC1=CCCCC1)CNC1CC1	2318587106	QARUUTYPKZBDPL-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
N[C@@H]1CCC[C@@H]1CC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2318793097	BZSCFAFWHFCIQY-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CCC1(N)CCCCC1	2318865269	RFUYZURKHYSSMR-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CC[C@H]2C2CC2)C1	2319495698	BBMURSWZPDGHLG-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C(=O)CC[C@H]1CC[C@H]1C1CC1)C1CCC1	2319699481	JADSKEXJHACUAQ-HIFRSBDPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](N)(CC[C@@H]1CC[C@@H]1C1CC1)C1CCC1	2319737698	MRMPXGIKLPNDLQ-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H](C)C2CCC(C)CC2)CC1	2320241394	UEBKCJAVAYHHMB-IWPLNJTISA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@H](NCC[C@@H]2CCC[C@@H](C)C2)CC1	2320369738	WUCJPRWHIQJRCQ-XOKHGSTOSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1([C@@H]2CC[C@@H](C)C2)CCC(C)=C(C)C1	2320394054	LUGAKQYJWRJXDG-XYPHTWIQSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@H]2CCCC2(C)C)CC1	2320413416	NJCJAOITCJGBAQ-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@@H](C)C2CCCC2)CC1	2320423171	KRHFDFHYRRRDGJ-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](CCNC2(CC3CC3)CCC2)C1	2321543102	URQJNBJAQQVDKM-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)CC[C@H]3CC[C@H]2C3)C1	2321652088	SUFASJAXEMLEGV-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC[C@@H]2C2CC2)c1F	2327807366	GCQVIJUNYFFSKX-KGLIPLIRSA-N	247.357	4.550	0	10	BJAE	
Cc1cc([C@H](C)NC2CCCCCCC2)c(C)o1	20437860	DPBRCVRHKCEJLF-ZDUSSCGKSA-N	249.398	4.660	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C)C2)c(Cl)c1	20471324	YLIODZVUFAXYBL-CMPLNLGQSA-N	237.774	4.639	0	10	BJAE	
C[C@H](N)c1ccc(-c2cccc3ccccc23)cc1	38070141	MFGRDNFCMFXDKS-ZDUSSCGKSA-N	247.341	4.527	0	10	BJAE	
Cc1ccsc1[C@H](O)C[C@@H](C)CC(C)(C)C	42731044	UNEGUXJNHXCTDN-ZYHUDNBSSA-N	240.412	4.552	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(OCC)cc1C	69377724	IUJASVYSOPREMD-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
Cc1ccccc1COc1ccccc1C(C)C	70236354	CELOHXKYDIDJNO-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CCCCN[C@H](C)Cc1ccc([C@H](C)CC)cc1	71444642	GPLHLMLGNRFNCT-HUUCEWRRSA-N	247.426	4.521	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCCC1(C)C	86855809	WLJXJPPEJUWWNH-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)[C@H]1CC[C@@H](CC)C1	88011481	JYNAKVVVHSBSQH-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)[C@H](N)c1ccc(Cl)c2ccccc12	93656275	LULDXTDTKDKSNI-BMIGLBTASA-N	247.769	4.539	0	10	BJAE	
CN[C@@H](c1ccccc1)C1(CC(C)C)CCCC1	94899939	CYWUSSGTYFACKQ-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@@H](NC[C@@H](C)CC)c1ccccc1	109955026	OQCFGQPWLKJSKH-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
CCCNC[C@H](C[C@@H](C)CCC)C1CCCC1	128233123	KBAPKVAYUKQCJU-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CC1=CCCCC1	161040634	XVUZPIRJMUWTLC-GDBMZVCRSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CC1CCCCC1	203313688	WBKDEGDMMITUOB-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)(C)C)C1=CCCCCC1	203532533	OQLRUZWFQAMMQE-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CC[C@@H](C)[C@@H](C)C2)c1	220569807	HSNHYQJBHYTXRO-ILXRZTDVSA-N	231.383	4.540	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cccc(Cl)c1C	220578665	FWKJWUSHBHXIHG-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
C/C=C/C=C/CCCCCCCCCCO	223901572	ZHBBYNQMCOFBFC-MQQKCMAXSA-N	224.388	4.622	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCCC(C)(C)CC1	224947040	JEGFPVOXLYLBAG-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
Cc1cc(C)cc([C@H](O)[C@H]2CCCCC2(C)C)c1	226910665	NYVCADOSDIDQQU-CVEARBPZSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H](C)CC[C@H]2C)c(C)c1	226998983	NVIIGYOXJGOGOE-XJKCOSOUSA-N	231.383	4.540	0	10	BJAE	
CCCNC/C(=C\[C@H](C)CC)C1CCCCC1	228123156	WKZYQGFOQAKGDU-RGHBXIHOSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccc(C)cc1Cl	229621404	NPDDDOJLQHYXSO-YPMHNXCESA-N	237.774	4.639	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCC[C@@H](CC(C)C)C1	230771197	LYGPHDBIGAYVMO-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](CC2CCC2)NC)cc1	232156511	GQQBSQWZOHUOLE-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CC1(C)CCC[C@@](O)(C2=CCCCCC2)CC1	232797296	VROVHUFVVUUMCJ-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)[C@@H]1CNc2ccc(C(C)(C)C)cc21	232799788	ARJSOLSFMVJFRU-WFASDCNBSA-N	245.410	4.785	0	10	BJAE	
Cc1ccccc1CCC(=O)CCCC(C)(C)C	302299765	MRJMIJSJMUDYPE-UHFFFAOYSA-N	246.394	4.713	0	10	BJAE	
Cc1ccc2ccn([C@@H]3CC[C@@H](C)[C@@H](C)C3)c2c1	305668873	XKRRBIYJKTXHLQ-IJEWVQPXSA-N	241.378	4.947	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CC(C)C)CC(C)C	305966438	PFKYHVSHLZTWKD-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CC1CCCCC1)c1cc(C)c(C)o1	305988208	IXIZFQNLPLFUMI-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CSc1cc2c(S)c(Cl)ccc2s1	307114313	BQWUEKPXCINXNR-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C1CCCCCC1	308059331	VXPXBVFZULQKLK-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@@]1(CC2CCCCC2)CCCCCN1	309947690	RAEWPLLGSIHHBX-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@@H]1C[C@@H](C)c2ccccc2N1	310344608	DVXYEFWZJGELDR-ZIAGYGMSSA-N	231.383	4.801	0	10	BJAE	
Cc1ccc(OC[C@@H](C)C2CCCCC2)cc1	310378323	ALRJPAVFVLCLOZ-CQSZACIVSA-N	232.367	4.590	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C[C@@H]1CCC[C@H](C)C1	310785537	STMWMSVUDLRBRV-APHBMKBZSA-N	246.394	4.553	0	10	BJAE	
CC(C)/C(=C/C1CCC(C)(C)CC1)CNC1CC1	311053150	XOQHTFHVAGGLSZ-RVDMUPIBSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@@]1(N)CCC[C@@H](C)CC1	311238057	UZMDTIYGQVKSRW-RHSMWYFYSA-N	245.410	4.564	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](CNC(C)(C)C)C(C)(C)C	319446727	SALUXJRFKLMRFE-IHRRRGAJSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](N[C@@H](CC)C1CCC1)c1ccccc1	322345002	DEQGFBOPMGLRAK-IRXDYDNUSA-N	245.410	4.696	0	10	BJAE	
CC[C@H](Nc1ccccc1C(C)(C)C)C1CCC1	322454344	JAVFFKXLZNZAAQ-HNNXBMFYSA-N	245.410	4.975	0	10	BJAE	
CCC[C@@H](Nc1ccc(F)cc1C)C1CCC1	322846676	NUTVTJDOAUNJIC-OAHLLOKOSA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)c2ccc(C)c(C)c2)CC1	328425454	CCTSSPJTKUHAPP-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@](CC)(CO)CC1(C)CCCC1	380739811	RQWSDJYAXNNMCJ-HNNXBMFYSA-N	226.404	4.536	0	10	BJAE	
CC(C)CCCCC[C@H](C)[C@H](C)CNC(C)C	383220458	RMWPZRVKUKKZAL-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCNC[C@](C)(CCCCCC(C)C)C(C)C	383291259	QXZUREZVMNEUSO-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@H](C)CC	383790997	LUHGXXPUFLPSRR-CJNGLKHVSA-N	233.399	4.507	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@H]1CCC[C@@H](C)C1	386597978	GLOUKRVSPFWWFY-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccsc2Cl)CC1	387177173	CPIHLPYFHYZABZ-ZJUUUORDSA-N	243.803	4.782	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@@H]2C[C@@H]2CC)cc1	387820591	RREOXJKAQRCXHH-CLROSIBMSA-N	245.410	4.507	0	10	BJAE	
CCC[C@@H](NCC(CC)(CC)CC)C1CCC1	391209088	RJBKYDJVWQTKEJ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CSc1ccccc1NCC1(C)CCCCC1	394668218	QQWAGMBOORTLGO-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CC(C)(C)CC(C)(C)NCCC1=CCCCC1	395399007	ZTFRDRCLESOUIT-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
Cc1sc2cc(C(F)(F)F)ccc2c1C	396204977	XVOZYTGYGUILIR-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCOc1csc2cc(C)c(C(F)F)cc12	396236520	HNOKKMSSWAAPPP-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1cc2cc(C(F)(F)F)sc2cc1C	396297792	FKNUZTOGIYRMNO-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCc1csc2ccc(F)c(C(F)(F)F)c12	396305666	WZMAWVAKWDMVMJ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CSc1csc2c(C(F)F)cc(C)cc12	396410201	RILXCTWKJGYHEM-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C[C@@H]1CC=CCC1	402377015	VXHYRSSJTRUHFB-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C1CC1)C(C)(C)CC	405779772	CBYFGNDXICMEDC-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCNC[C@@H](C)C1CCCCC1	686307184	VQCCUQMXNRNVIW-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@]12CCCC[C@H]1C2	693158693	QKWWHPQZUMMFHF-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CCN[C@H](C)c1cc(C)c(C)cc1C	696176495	SCEUFGHJMUVQLL-BLLLJJGKSA-N	247.426	4.699	0	10	BJAE	
CCC(C)(C)CC[C@@H](CC(C)(C)C1CC1)NC	696583378	VVDTWPSBNOICBQ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCCc1ccc2ccccc2n1	697991521	JWMJMPIDTSRPOZ-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CC(C)=CCCC1(CNC(C)C)CCCCC1	698039346	DRWKZTMFDHIIOT-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCSc1cccc(N[C@@H](C)C(C)(C)C)c1	702296681	OWPRPYAEJYLEJM-NSHDSACASA-N	237.412	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](N)(CC)C1CCCC1	704916281	VRQGOWZIVSRPMF-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](NCC[C@@H]1CC=CCC1)c1ccsc1	706864576	YFQMMWACPAIJNB-UKRRQHHQSA-N	249.423	4.535	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC(C)(C)C)C(C)(C)CC	708286812	MNQWDLVXLINPCI-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@@H](C)CC(C)C	708299586	ZJBSRQCQOLOKEC-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)C12CCC(CC1)CC2	710117076	MJRHPPOVXBFXMY-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC1(CN[C@H]2CCCC[C@@H]2C2CC2)CCCC1	710138717	MFNIEYOZLIKEGJ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)(C)C)C1(CC)CC1	711148409	GQVLPVXKGNMFOX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)CC1CCCCCC1)C(C)(C)C	711220732	URUQEWBNUYEADQ-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(N)C[C@H](C)CC(C)(C)C1	713147242	GNSIXOZRUDGXRW-CJNGLKHVSA-N	239.447	4.602	0	10	BJAE	
N[C@@H](c1ccc(C2CC2)s1)C1CCCCCC1	716565249	IUFXOMABYSHSJC-OAHLLOKOSA-N	249.423	4.596	0	10	BJAE	
CC1(C)CC[C@@H](CCC(C)(C)C2CC2)C(=O)C1	717452805	DNEQEBGKDITLRD-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CC[C@H]1CNC(C)(C)C	718493947	LTFVIYHUTXGRJA-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(CNCCC(C)=C(C)C)CC1	718517453	DFWJLKRBFVHZQY-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CCCc1ccc(F)cc1	718750387	GFLZGRUCEBDLCN-UHFFFAOYSA-N	206.304	4.505	0	10	BJAE	
C[C@@H]1C[C@@H]1CC1(CNC2CC2)CCCCCCC1	722883812	NIMJJHRFUSLFKW-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCc1c(C)csc1C	724677554	RAUNIXXYKRFPSR-UHFFFAOYSA-N	208.370	4.654	0	10	BJAE	
CCC[C@H](NCC1(CC2CC2)CC1)C1CCCC1	1207348653	SAHJAXWNHBXUCH-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)CCCC(C)C	1462263469	TZOIRPCVUJQHCU-JKSUJKDBSA-N	239.447	4.926	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@H](C)N[C@H]1CCCCC12CCCCC2	1875419139	KZNNAPHJSXPFTI-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C=C(C)C[C@H]1CCCCN1)CC	1881479069	UGIXZNDJKCWWJE-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CC[C@@H]1CC[C@@H](C)CCC1=O	1900715040	ZAKCLZTYZVTZMU-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
CCC(C)=CCNc1cc(C)c(Cl)c(C)c1	1900837703	GBDOAMAETFOTTI-UHFFFAOYSA-N	237.774	4.725	0	10	BJAE	
CCC(C)=CCC(=O)c1ccc(Cl)cc1C	1900878499	QFQBEBYKCGBKJL-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCCCCCc1csc([C@@H](C)NCC)c1	1901875152	JJQSWLLRGUOIGO-GFCCVEGCSA-N	239.428	4.541	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CCC(C)(C)C1	1902293663	NNZROBNKFBKYCM-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)C(=O)C[C@H]1CCC(C)=C(C)C1	1902841052	KZTSRLBWCZOHFW-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
Cc1sccc1OC[C@H](C)C1CCCCC1	1904943138	SDOUSFSXAKMXBA-NSHDSACASA-N	238.396	4.652	0	10	BJAE	
C=CC=CCC[C@H](NCC)C(C)(C)C(C)(C)C	1911859555	FFEFDNHILGSVGM-AWEZNQCLSA-N	237.431	4.559	0	10	BJAE	
CC(C)c1cccc(C=CCCNC(C)(C)C)c1	1912130146	XNMZCOGHYZWLJM-UHFFFAOYSA-N	245.410	4.601	0	10	BJAE	
CN[C@@H]1CCCCCCCC[C@H]1CC(C)(C)C	1913411480	BKIDZPALEGENBG-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@H]1CCC1CCC1	1913431858	YVZFEIHMDFFETB-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CC(C)c1ccc(NCC[C@H]2CC2(C)C)cc1	1921547413	XGJVLQFJJQQJJB-AWEZNQCLSA-N	231.383	4.658	0	10	BJAE	
CC1(C)CCC[C@@H](NC2C[C@H]3CCC[C@H](C2)C3)C1	1923478011	APXCZCRKRZFPSC-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@H]2C=CCCCC2)CC1	1925821561	VXUMQYQBASOLLL-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CC[C@H](NC[C@@H]2C=CCCCC2)CC1	1925932564	FGLPETWVMVJGIQ-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1CC2CCC1CC2	1926160278	WIISZIAHRCAJAW-YMAMQOFZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@@H](CC1CCC(C)CC1)NC	1926372805	VUTLTCWBWADNJN-BCLQGDPASA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1CCCC(C)=C(C)C	1935745301	OHRSBOFCSLXKQG-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
CC[C@H](C(=O)c1ccc(C)cc1Cl)C(C)C	1936210649	CHXINKDWUOQYHE-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
CCC(CC)(CC)[C@H](O)[C@@H](C)CCC(C)C	1937172884	DQWBZXAYAHSUEJ-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
CC1(C[C@@H](N)C(C)(C)C2CCC2)CCCCC1	1940416247	QJOUKDGHGCIHCH-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](CC[C@H]1CC1(C)C)NCC	1940857356	WMKMVLLZJPWOAO-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C(C)(C)C1CC1	1941138532	AZCUOMDXWNSHPS-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CNCC1CCCCCCC1)C(C)C	1941935347	RICJXVHGQYWGBW-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCCCCNc1ccccc1C1(C)CC1	1944597275	XQCMBNIJWDVUTR-UHFFFAOYSA-N	231.383	4.730	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C(C)(C)C1CCCC1	1944611266	UNGHMNTXDIHFMB-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C(=O)CC1CCCC1)C1CCCCC1	1944640983	IADDLKRXYMDRQF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@H]2CC[C@H]1C2	1947119928	GBQHWTBWMRIZSR-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)[C@@H]1CCCC[C@@H]1CC	1947460994	APCPPEDHPBGVRI-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@H]1C=CCCC1)CC(C)(C)C	1947602638	NRPUZHXEPOMULN-QLFBSQMISA-N	238.415	4.556	0	10	BJAE	
CC(C)C1([C@H](N)CC2(C)CCCCC2)CCC1	1949070200	DTNXYKVIQUTLDA-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	1949086933	WIYQLORXJQAWTI-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@H]1CCCCC[C@@H]1O)C1CCCCC1	1949791301	CJNFEQCLMXGIOT-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H](N)CC2CCCC2)C1	1949863019	XSIAJRSKZHBDRA-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)CC12CCCCC2	1950602859	VTCMUTQDNKLKNW-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC=C[C@H](C)Cc1cc(C)c(OCCC)cc1C	1951309109	UYMUHJLCXPCYHE-ZDUSSCGKSA-N	246.394	4.847	0	10	BJAE	
CC(C)(NCC1CCC=CCC1)C1CCCCC1	1966188443	QEYYBKGHIKCFEC-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@H]1C1CC1)C1CCCC1	1967853500	QRPJANHTAIVVPB-YESZJQIVSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)CN1CC(C)(C)CC[C@@H]1C	1970777200	CWQCNANNKFWQIQ-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@H](NC2CC3(CCCCC3)C2)C1	1972430251	ORADRZIFWORASA-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CN[C@H]1CCCCC12CC2)C1CCCCC1	1972744678	OCJBAGSHOGGPNM-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@@](O)(CC)C1CCCCC1	1975957760	LIKHYMZTNJYXOT-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)C1(C)CCC1	1981372932	XWCXVBVAZKETMT-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCCCC(C)(C)NCC(CCC)CCC	1987100754	AICJJOWXYKZWLJ-UHFFFAOYSA-N	227.436	4.761	0	10	BJAE	
CCC[C@@H](CCC1(CCC)CCC1)NCC	1988467406	VDDFKLNIJUSGRB-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C)CC(C)=O)CC1	1989839471	QJPQLNGWDNONRK-QEJZJMRPSA-N	224.388	4.598	0	10	BJAE	
C[C@H](Nc1cccc(F)c1)C1(C)CCCCC1	1995989559	YSPGXBHSOHKKBE-LBPRGKRZSA-N	235.346	4.597	0	10	BJAE	
CC[C@@](N)(C[C@H](C)C(C)(C)C)C1CCCCC1	1996589396	NPEHYMOJKAAAMN-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)C(=O)CC1C[C@@H](C)C[C@H](C)C1	1996603161	PHHQPRACDNNPRO-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCC[C@@H](CC)CC1	1996614723	BLKCABVWTJKDQQ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CCC(C)(C)C)CC1	1997114373	DWPWJGSOJGEIKP-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](C(C)(CC)CC)C1(C)CC=CC1	1997551723	BRBKKODGJNUWRC-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCC1)CC(C)(C)C(C)C	1998048290	WHPUQUJALAGTGT-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)Sc1ccccc1NCC1[C@H](C)[C@H]1C	1998552567	UYBIHCAEUYOYGF-VXGBXAGGSA-N	249.423	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC[C@@H]1CC(C)C	1998749839	UAHMACDKADHWDS-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CC[C@H]1CC(C)C	1998754605	DWGAECBQJQWWQY-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
C[C@H]([C@H](N)C[C@@H]1CCC=CCCC1)C(C)(C)C	1999988546	RHHAEMGTYYKVEY-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cc(C)cc(F)c1	2000211783	ORBLFDJLHSGKID-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CC(F)(F)CCCC(=O)C1(C)CCCCCC1	2000214338	ZUHBLTFHBSZAPX-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCCC[C@](C)(CNC)CC1(C)CCCCC1	2000512830	JNTHOPJLFRMZQQ-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCCC1(C(=O)C2CC(C(C)(C)C)C2)CCC1	2002324316	MTFAQUMHPPWNAG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCCN[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003014116	KSWXSIIOXWVIDG-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC)C1CCCCCCCC1	2003094345	DISLUNAEJRIAEW-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@H]1CNCCC12CCCCCCCC2	2003094506	FJWDFYACXJGUGE-OAHLLOKOSA-N	237.431	4.517	0	10	BJAE	
Cc1ccsc1C(=O)CC1CCC2(CC1)CC2	2003288495	SSJPCNWNCQNSRU-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
C=CC=CCCC[C@H](NC)c1cccc(Cl)c1	2003684478	VJDNOACHCUCTOZ-HNNXBMFYSA-N	249.785	4.513	0	10	BJAE	
CCCC(CCC)CNC(C)(C)C1CCCC1	2004716677	HVQVBKAIZKLYEO-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H]1CCC[C@@H](CCCCCC(C)C)[C@H]1C	2006979269	LZKHNNSFVLHKKZ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1Nc1ccc(CF)cc1	2007030093	ZSVVUYIAUQLVQJ-IUODEOHRSA-N	235.346	4.537	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2CC=CCC2)CC1	2007681082	FQDIKWKRAGWACE-BBBYJDLNSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)C[C@@H](C)C(C)(C)C	2007941122	YPEDRWNYQIDDIQ-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(N)CC(CC)(CC)C1	2009303963	KHBQVNDXLNWTCB-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCCCC[C@@H]1C(C)C	2009571146	GYSGMGVEOMWCEI-SGFLJFKBSA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1CCC[C@@H]1C	2009596602	SPBGHRDLBOZPRZ-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(N)([C@@H]2CCCC[C@@H]2CC)C1	2009789282	IFODJPZVDMEPGD-PWUWZPNHSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)C[C@]12CCC[C@H]1C2)CC(C)(C)C	2011007700	KBHYMJCHIPVBJF-DVOMOZLQSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@@H](CC2(C)CCCCC2)C[C@@H](O)C1	2012059208	HZRWPDUWRFGMKQ-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
C[C@H](N[C@@H](C)C1(C)CCCC1)C1CCCCC1	2014339143	KQGUAOMKOPMKGE-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1(CCC)CCC1	2015589791	ZOXJJFQDEFBIDH-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cc(C)ccc1C	2016145887	RAFITKSDNLNZED-OAHLLOKOSA-N	231.383	4.850	0	10	BJAE	
CC(C)C1(C[C@]2(O)CCCCC[C@H]2C)CCC1	2017116821	NQLYKBGPYRRKII-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H](C)[C@@H](C)CC)CC1	2017662593	KNXWHDCCHQOSCT-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@H](O)C[C@H]2CC[C@H](C)CC2)CCCC1	2017718596	CYANCCGORJLONE-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)CC1(CCC)CC1	2018997721	ZCPKVTYHPZKWLT-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCN(C)CCC1=CCCCC1	2019339417	BBOJMKXLNXVVMF-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CC(C)CCCCCN(C)[C@H](C)CCC1CC1	2019340376	NBJDBJGSTCULAI-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCCN(C)C[C@@H](C)C(C)(C)C	2019344005	HWLRESRPLVGIIO-OAHLLOKOSA-N	241.463	4.817	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CCC1=CCCCC1	2019767849	MDLQCTPFICEQJH-GDBMZVCRSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(C(=O)CC2=CCCCC2)ccc1Cl	2022734198	IJCVOPOIJFNLJU-UHFFFAOYSA-N	248.753	4.722	0	10	BJAE	
CN[C@H](CCCCC(C)(F)F)CCC(C)(C)C	2023297564	ZVGMKRMQJHKTFJ-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@H]3CCC[C@H]2C3)c1Cl	2026246281	XPEQHOOGDAGYMG-OBJOEFQTSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@](N)(c1ccc(C2CC2)cc1)C(C)(C)C	2028609337	OATDBNVRHLXTGV-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCCCC[C@H](O)c1ccccc1CC(C)C	2028916700	BSRKZVLDKUEMSH-KRWDZBQOSA-N	248.410	4.889	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1ccccc1CC(C)C	2028918411	MSANDTDLYUFMRV-RHSMWYFYSA-N	248.410	4.745	0	10	BJAE	
CC(=C[C@@H]1C[C@@H](C)C[C@@H](C)C1)C1CCC(N)CC1	2031802348	WDWURVYOCQLGJQ-JFOVZFFPSA-N	249.442	4.523	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCCC2)CCCC1(C)C	2032112367	PVBDWHGDTALMGE-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC(C)C1(CNc2ccc(C3(C)CC3)cc2)CC1	2032248001	ULLMRWKXFCYOTH-UHFFFAOYSA-N	243.394	4.586	0	10	BJAE	
F[C@H]1CCC[C@H](Nc2ccc3ccccc3c2)C1	2034873813	NGFJRQYEASMENM-GJZGRUSLSA-N	243.325	4.532	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)C1CCC(C)CC1	2035590492	JKRWYILOQQFDDI-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@@H](N)C[C@@H]2C=CCCC2)C1(C)C	2035592557	NWBBIDUXHPAAEH-PNBKFKSVSA-N	249.442	4.523	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)C1=CCCCCC1	2037094457	LBPXQIKYCBWLST-PBHICJAKSA-N	247.426	4.731	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1ccccc1C1CC1	2037169897	YAQFVDIPYFSRKD-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
NC1(CCC2=CCCCC2)CC(C2CCCC2)C1	2037173249	CSFFUKOJRFFPOW-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H]1C[C@H](CC2=CCCC2)CCC1(C)C	2037871921	SQEAGFQXNFEXLY-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(=C2CCC(C(C)(C)C)CC2)CN1	2038526684	ANKUNHHYYCMJJQ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CC12CCCCC2	2039011858	LEWYIJIFHWLGNA-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CCC1CCCCC1	2039441995	PXRQNSQTWJMYQO-UAGQMJEPSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCC[C@H](NC2CC3(C2)CC(C)(C)C3)CC1	2039459830	HXLBDRHGVMCMCP-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1ccccc1C1(C)CC1	2040719012	IPGIZRBWZUDPBA-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
N[C@]1(C[C@@H]2C=CCC2)CCCCC12CCCCC2	2047558353	CGNQWPJCMZXCSC-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@H]1CCC12CCC2	2047939796	QDAMLOSWGXRVSB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)[C@@H]2CCC[C@H](C)C2)c1	2049540507	OMLJVBCRKXPHOY-IACUBPJLSA-N	249.373	4.761	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)c2cc[nH]c2)CC1	2049634941	PNLWOJKGUXOAGU-HDJSIYSDSA-N	247.382	4.584	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H]1CC[C@H](C)CC1	2049683394	DWONBDDMKJFYNB-CKEIUWERSA-N	246.394	4.670	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@H]2CCC3(CC3)C2)C1	2049848925	MRWZKLFPTPLSDQ-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1CC1)CC1CCC2(CC1)CC2	2049859547	UEDNJFVHIMJKAM-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@@]12C=C[C@@H](CC1)C2	2049998319	UORPGSQDYMJUNA-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1ccc(C)c(F)c1	2051397755	BYGXJWWKPGPSCZ-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1cc(C)cc(C)c1	2051409183	OVYJGMQLSXRFKM-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@H]2CC[C@@H]21)C1(C)CCCCC1	2052278162	AJOQTFGSYFTLLM-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@H]3CC[C@H]32)c1	2052286430	KXHMFXXMIHBZFZ-IAOVAPTHSA-N	243.394	4.801	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)[C@H]1CCCCC12CCC2	2053412466	OZEVUUSHMDAERY-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H]2CCCC(C)(C)CC2)CCC1	2055552728	RVNXLSZGJIDDIT-CVEARBPZSA-N	249.442	4.824	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC1CC(C2CC2)C1	2056650990	MGVOZZUCEZLXCZ-BNICSPFPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)CC1CC(C)(C)C1	2056873588	OSIIIDNPBVVQGZ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(NC[C@@H]2CCCCC23CC3)C1	2059393869	MGXIUISNJDUQDR-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2CC23CCCC3)C1	2059489755	IIAZARVHHJTSMC-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC1(C)C)C1=CCC(C)(C)CC1	2061143963	NUEWIJUXJDLBOF-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1CC(=C2CC2)C1)[C@@H](C)CCC(C)C	2061647264	OOOHTDRLNFVRGB-GUYCJALGSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1CC(=C2CCC2)C1)[C@H](C)C(C)C	2061740876	DWCFWVHJTMBTPO-CXAGYDPISA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)CCCCC31CC1	2062008442	DUJXFPZBYHSSOG-UHFFFAOYSA-N	239.362	4.543	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1N[C@H]1CCCCCC12CC2	2062017455	OSRIWOIMAQTJAE-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@]3(C)C[C@@H]23)CC1	2065664112	LVPCPXMYVKKVMV-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCC1	2068710975	OZTLHXQWRLKMAA-QKDCVEJESA-N	248.410	4.742	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C1C[C@H]2CC[C@@H]2C1	2068721611	BBFMCDDUPGLRHY-RBSFLKMASA-N	246.394	4.518	0	10	BJAE	
C[C@](N)(CC1CCCCC1)CC1C[C@@H]2CC[C@H]2C1	2068778137	YGNRSMDRHLFRFA-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1(CC2CC2)CCC1	2069503024	DCXCASGORWBNMD-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC1(CN2CCC23CCCCCC3)CCCCC1	2070393763	XNGBSLAMQZDZMU-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
c1cc(C2CCC2)ccc1NC[C@]12CCC[C@H]1C2	2070802384	CNVUUHBRGCKGGU-DOTOQJQBSA-N	241.378	4.556	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)C=CCCC2(C)C)CCC1	2071917697	MUSVBPOEXYUDGA-KRWDZBQOSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CCC1	2071925734	IGPFTBZELBRBPK-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@](C)(NCC2CCC=CCC2)C1	2072601012	JTTGFSDJRGBEJA-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CC[C@H]2C2CCC2)CC1	2072806417	LTMNXAVBIBOMOC-LCSXWQTCSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@](O)(CC(C)C)c2ccccc2)CC1	2074619115	NBDVSZDYSRXZJT-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CC=C(CC)[C@@H](NC)c1cccc(C(C)(C)C)c1	2077188581	YMIMRHSZEQHVIH-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CC1)C1CCCCC1	2077262591	WJSDEVOUQDAGQZ-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@H]2CC[C@H]1C21CC1	2078341093	VTACHCCOZKHZBK-ZJIFWQFVSA-N	249.442	4.514	0	10	BJAE	
C1CCCCC(N[C@H]2C[C@@H]2C2CCC2)CCCC1	2079424867	QINLVPAELYFSHV-SJORKVTESA-N	249.442	4.658	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@H]1C[C@@H]1C1CCCC1	2079634051	RDFYGFRAWRLRDW-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2C[C@H]2C2CCCC2)C1=O	2079866383	RIKNRZNGOQVSNH-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C[C@]2(N)CCC[C@H]3CCCC[C@H]32)C1	2081134793	XJQNJYXKLZIPEF-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
Fc1ccc(N[C@@H]2CCC[C@@H]3CCCC[C@H]32)cc1	2081140937	MZYVKGSGWZRICO-APHBMKBZSA-N	247.357	4.597	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@H]2CCCC23CC3)C1	2082986313	LXRNAQDMYLTLAR-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NC1C2(CCC2)C12CCC2	2083547698	DGQUMWPBYBLCHP-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C)[C@H]1C[C@H]1C=CCCCC1	2083658318	ZHEVJVGZWAJRSI-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(C[C@@H](C[C@@H]2C=CCCCC2)NC)C1	2084996512	VXXMVZKXUYDKNY-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CCCC1(NCCCCCCC2CC2)CCC1	2213579886	ISYMIEKVANTMAX-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC[C@H](CC1CC1)NCCCCCCC1CC1	2213582076	DHTFZHDXNLWDRD-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C1CCC1)[C@H](O)CCCCCCC1CC1	2213583997	YGTBXWHPNWESIP-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C(=C/c1ccccc1)\CC1CC(C2CCC2)C1	2213824469	HEXVMRPRXCHXFM-XBXARRHUSA-N	226.363	4.916	0	10	BJAE	
CC(C)CC[C@](N)(CCCCC1CC1)C1CC1	2214565911	QVLPCADUFYMMNE-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCn1ccc2cc(Cl)ccc21	2215347463	XNZHPSLVSJNPSG-NEPJUHHUSA-N	247.769	4.731	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@H]1CC=C(C)CC1	2215808854	GUKWJTFJOFRYDO-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CCC[C@H](CCCCCCCC2CC2)N1	2216860302	AFZJCTLKEZWTLM-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)[C@@H]1CC=CCC1	2218331570	JYHIJWGDLTTZCQ-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CC[C@@H]2CCC[C@H]21	2218724899	HRDMLWUZDUWYTN-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NC1CCC(C2CC2)CC1	2218896998	PFVSIZREKJHRRO-YJNKEBTESA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCC1CCC1)CC1(C)CC2(CCC2)C1	2221025922	QHHBECOEGWLHIS-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CN[C@]2(C)CC=C(C)CC2)CC1	2221606301	CUJBUBQPDIMNLM-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@@]1(C)CC=C(C)CC1	2221633216	UACUNSNYWYWXHM-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2CC23CCCC3)CC1	2221640818	PHRORMJOQPORNP-GDBMZVCRSA-N	246.394	4.662	0	10	BJAE	
CCCC1(NC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	2222916138	IWMBNRZVIHEWLC-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNC2CCC2)CCCC12CC2	2223564724	YTGHEEQOYSBKNY-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CCCC2)CCCC12CC2	2223601237	WENGFWDTFUFYBN-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)c1ccc(C2CCC2)cc1	2223683590	KHRHFFDLYKMMSU-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CC1CC(C)(CC(=O)C2CCCCCCC2)C1	2246524046	KMFPUFMZXFKKOS-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)CCNCC[C@@H]1CCC[C@@H](C)C1	2246695773	VIIUZSCXKJXYSF-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCC[C@@]2(C)O)C1	2246725418	HRTAQOMMUBAIFG-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)CCCC[C@H]1C[C@H]1C	2247127076	FTBVPBBTDJZUPH-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H]1C[C@H](N)C1(C)CCCCCC1	2247308693	GXDQKAMMEGSHNH-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@H]1CCC12CCC2	2247308821	SQVNRSMCECAIEY-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(Cl)cc2cc([C@@H]3CC34CCC4)[nH]c12	2248307512	JLCVCBVICOEGTN-LBPRGKRZSA-N	245.753	4.787	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H]1CCCCCC1=O	2248866938	SGWSOMXZKOCMER-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@@H]1CCC[C@H]1C	2250487509	BKAAEQSDBVWNBT-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](O)CCC1CC(CC(C)(C)C)C1	2251584889	NAEFOJZSVIAQGO-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](CCC2CCC2)C1=O	2251706431	DNLYTUPKDGEJME-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
Cc1ccoc1C(=O)CC[C@H]1CCCCC12CC2	2253816550	GETJTLVEAMCPBT-CYBMUJFWSA-N	246.350	4.521	0	10	BJAE	
Cc1ccc(NCC2CC3(CCCC3)C2)c(C)c1	2254083227	CMDYYQZYENILNU-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CCC2(C)C)c(C)c1	2254957321	FILGVYPHOVTSSI-AWEZNQCLSA-N	244.378	4.621	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC[C@H]1CCCC12CC2	2255317727	MVGDVSLIFNLWJG-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@](C)(N)[C@H]1CC12CCC2)C1CCCCC1	2256489253	NLZQKDMNDSIEER-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC(=CCCCC[C@H]1C[C@H]1C)[C@H]1CC[C@@H](N)CC1	2257250917	BIZWORWXMHWRIX-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@@]23CCC[C@H]2CC3)C1	2260545053	NDMLGDDYHSWVAF-ICEJCHNJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@]23CCCC[C@@H]2CC3)C1	2260547451	QPPCKYNZXDOMIS-CXAGYDPISA-N	248.410	4.742	0	10	BJAE	
Fc1ccc(CCCC=Cc2ccccc2)cc1	2263169468	KIWWRHRXUURWNJ-UHFFFAOYSA-N	240.321	4.862	0	10	BJAE	
CC[C@H](C)CCNc1cc(C(C)C)ccc1C	2300465152	FMVCDZGYUCIJDG-ZDUSSCGKSA-N	233.399	4.967	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1C=CCCC1(C)C	2300501886	SPKICDLYQKPHCM-LSDHHAIUSA-N	237.431	4.536	0	10	BJAE	
CCC(CC)CC[C@](C)(O)[C@H]1CCC[C@H](C)C1	2300676497	PJICKMGPOHDGBR-BPUTZDHNSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCN(CC)c1ccc(C)cc1	2300689402	XULGWCDXWIMRQR-UHFFFAOYSA-N	233.399	4.648	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCC[C@@H](CC)CC1	2300701914	UZEJXXKLTYSYDF-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CC(=CCC1=C[C@@H](O)CCC1)CCCC(C)C	2300866284	YWVCWRDDUYUWFC-INIZCTEOSA-N	236.399	4.620	0	10	BJAE	
CCC(C)=CCC1(N)CC2(CCCCCC2)C1	2300908760	HNAKDGJQXRNZNX-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CC1CCCCCC1	2301247904	UYJAZJJKRZKLQD-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)[C@@H](C)[C@H](C)C(C)C	2301843706	LIBPJIPQOFAIKS-LJISPDSOSA-N	241.463	4.575	0	10	BJAE	
CCC(CC)CC[C@@H](O)CCC1=CCCCC1	2301935680	OURKYCLVJAQTGB-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@@H](C)CC	2302355874	GZEMIZBJTXEJNG-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC1(C[C@@H](N)CCCCC2CC2)CCCCC1	2302568744	AVGIAQUDTFCWNG-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCc1cscc1NC[C@@H]1C(C)=CCC[C@@H]1C	2302882295	HYNFKMLXBRMLJA-GXTWGEPZSA-N	249.423	4.715	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)CCC)C1CCCC1	2307895331	VNAJHVFJOASUOY-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)[C@H]1CCC[C@@H](C)C1	2307898322	JINFZVBGLWWAHP-UGUYLWEFSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1	2309171822	SYDOSQVMHHCRSZ-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309185006	PNCUDLUZPVXLNM-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C[C@@]12CCC[C@@H]1C2	2310387023	JXINTRNANTXECP-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(CC[C@@]23CCC[C@@H]2C3)C1	2310388181	USUFTPJOOAAEBC-MUIFIZLQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2310890082	YCDRMZRILLJWSD-JGFGOLAASA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@@]23CCCC[C@@H]2C3)CC1	2311130702	WYAWNDBNQYGWBW-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCC(=O)c1ccc2c(c1)CCC2	2316271022	LNIKPJWWOJVVJQ-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC(=CCN[C@@H]1C[C@@H]2CCC[C@H]21)CCCC(C)C	2316491706	PFOOFVVLBKVTAY-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@]1(N)C=C(C)CCC1)CCCC(C)C	2316502898	MZROKCBOKWSWGT-KRWDZBQOSA-N	249.442	4.977	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@H]1CC[C@@H]2C[C@H]12	2316541042	YGXXFWGBPWBXGV-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C[C@@H]2CCC(C)(C)C2)c1	2319079240	KIPDHRUOPQUOKA-GOEBONIOSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2(CC3CC3)CCC2)C1	2319291030	NHXOBWVLBJGBKY-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC=C[C@](N)(C[C@@H]2CC[C@H]2C(C)(C)C)C1	2320252830	JLMIRCCIVCXFAM-LJIGWXMPSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1C[C@@H]1CC	2320399626	XXXCPCRMPPRBEN-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CC[C@H]2CC2(C)C)CC1	2320409767	XXVRTYBJGZBZKH-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CC[C@H](N[C@@H](CC1CC1)C1CC1)C1CCCCC1	2320520594	JDERLTRRBTUODT-IRXDYDNUSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(F)cc(NC[C@H]2CC[C@H](C)CC2)c1	2321071528	FDLQGZWCLBIVNG-MQMHXKEQSA-N	249.373	4.626	0	10	BJAE	
CC(C)CC12CC(C(=O)CC[C@H]3CC3(C)C)(C1)C2	2321588601	USWGNDZXAZWAQD-IGEOTXOUSA-N	248.410	4.598	0	10	BJAE	
CCCCCCc1ccc(CCCOCC)cc1	2327899565	OLDZPOHQCKTPLX-UHFFFAOYSA-N	248.410	4.779	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C(C)(C)c1ccccc1	2328281054	FGCAWLKBYQJWMK-GOEBONIOSA-N	247.426	4.508	0	10	BJAE	
CCOc1ccccc1NC1CCCCCCC1	20011373	UPCWDOJVDNOOHG-UHFFFAOYSA-N	247.382	4.610	0	10	BJAE	
CCCCc1ccc([C@H](C)NCCC(C)C)cc1	21501004	QNKGYEVKWSWQPJ-HNNXBMFYSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@H](C)CC	36820037	FIBIBHRJNCDFIT-CJNGLKHVSA-N	233.399	4.507	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCc1ccccc1	82237507	PAVKXFJXDQJMAX-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)C[C@@H](C)NCC	82810586	WRYCZDVAGKIJKR-RBSFLKMASA-N	227.436	4.617	0	10	BJAE	
Cc1ccccc1NCc1cccc(C)c1Cl	83374633	YQIHLGSYQPHSJI-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
C[C@H]1CC[C@H](C(C)(C)CCC(C)(C)C)C(=O)C1	85155160	FHBDIAYRAVCEBN-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCc1ccc([C@@H](O)C2CCCCCCC2)cc1	86581087	SXKJQGUWONRVCA-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CC(C)CC1(CNC[C@@H]2CC=CCC2)CCCC1	94874531	BZEYLFKZILIGOW-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@H](NC)c1ccc(C)cc1C	97468167	QNJPVCZZJNDDLS-INIZCTEOSA-N	233.399	4.534	0	10	BJAE	
CCC1CCC(N)([C@@H]2CCCC[C@@H]2CC)CC1	111745652	DUVUPIZZYQQWGZ-PWUWZPNHSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)C(=O)c1cc(C)sc1C	132902325	FMKABXRXDWPNNX-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CCCCC[C@@H](NC)c1cc2ccccc2s1	159706280	ARDCRYMTDWJFTD-CYBMUJFWSA-N	247.407	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H](C)c2ccco2)CC1	160777393	SJMRSVPBZAIEHT-RBSFLKMASA-N	249.398	4.679	0	10	BJAE	
CC[C@H](C)CC(=O)c1csc2ccccc12	164260805	OBQZKYSOZPXRNM-JTQLQIEISA-N	232.348	4.520	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@H](CC(CC)CC)C1	167561272	RSVSKSXMIAGYSN-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](O)CC1CCCCC1	168803988	NJSWYXBUPAWGOX-IRXDYDNUSA-N	246.394	4.512	0	10	BJAE	
CCCN[C@@H](CC)CCC1C[C@H](C)C[C@@H](C)C1	220382734	WKHUVENDABEXFU-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)NC1CCC(C)(C)CC1	225979769	INVYHNSQCOIRKJ-AWEZNQCLSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C2CCCCCC2)C1	227359529	NMTPTTRZNIMCML-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]([C@@H](C)CC)C1(CC(C)C)CCCC1	228807363	YNMJAYQRGQKVFF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C1=CCCCCCC1	233566282	MEXAENVGDKMGJU-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNCCC2CCCCC2)C1	235375164	FRDRYORYTQJBSM-YOEHRIQHSA-N	249.442	4.539	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2ccc(C)cc2C)C1	235679749	KIEAMZRNEVOOLR-CJNGLKHVSA-N	243.394	4.708	0	10	BJAE	
C[C@@](O)(C1=CCCCCCC1)C1CCCCC1	235713953	NGMOFXBBSKQONU-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1nc2cc(Cl)cc(Cl)c2s1	238168429	VBSBJRDMODSYDJ-UHFFFAOYSA-N	246.162	4.727	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCCC[C@H]1O	251411080	XAGGYXCMJJRJIF-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CC1(C)CCC[C@@H](c2ccccc2C(C)(C)N)C1	258325922	LMRMHTDBPFHOOT-CYBMUJFWSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCC[C@H](n2ccc3ccc(F)cc32)C1	301863395	AALRGMGWBSSPHC-DOMZBBRYSA-N	245.341	4.922	0	10	BJAE	
CCCc1cccc([C@H](CCC(C)(C)C)NC)c1	302269825	GYYZRYWTDVVBTQ-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](CCCC(C)(C)C)C1	304139838	GWCUUUJKBVVIIU-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNCCCC(C)(C)C)C1	305948711	UAXHYUSNTPZVCT-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCCC)c1ccc(C)cc1	306001299	KWCOZYGUUUDDRG-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC(CC)CC	308043635	DIURRFXQRXUFKD-HUUCEWRRSA-N	227.436	4.602	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](NC)c1ccc(C)cc1	308051233	HLOFNTBZSYZVFX-IRXDYDNUSA-N	247.426	4.718	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](CC1(CC)CCC1)NC	308100788	RJNVXYQMTFCQJL-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)[C@H](C)C1CCCCC1	309487025	GWAFCRUQVUFSHB-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(N)cc1S[C@@H]1C=CCCCCC1	310058459	CZBUTAAPDGXPJJ-CQSZACIVSA-N	247.407	4.558	0	10	BJAE	
CCCCCC[C@@H](CC1(CC)CCC1)NCC	310171881	UEJJMVGGBFLUGL-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
C[C@H]1CCCC[C@]1(O)CC1CCC(C)(C)CC1	310187589	XYWJGELWQPEMRX-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCCF)C[C@@H](C)C(C)(C)C	310273183	DVUOSMTVCKOQNA-KGLIPLIRSA-N	245.426	4.567	0	10	BJAE	
CCCCC[C@@]1(CNC(C)(C)C)CC[C@@H](C)C1	318058537	SNPKAWRNUUVTJO-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC/C=C/c1ccccc1)NCC	324345314	YQCZNOCEHVTNDX-VEMDQMBVSA-N	245.410	4.648	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)[C@H]1CC[C@H](CC)CC1	328491765	XUTJPFXPSYPULT-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1(CC)CC1	380651546	QLRDESZVEWLTPO-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCC[C@@H](C2CC2)C1	382682796	XRPQCCVOCXVLNN-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](N[C@@H]1CC[C@H]1C)c1ccccc1	384941793	CKNHBKNPGQKMCC-OIISXLGYSA-N	245.410	4.696	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CCCC(F)(F)C1	390574342	CBKFIXJXVHBCAM-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CC(C)CC[C@@H](C)NCCC1CCCCCC1	394569547	KTRFPBVKKRDGKY-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)C(CC)(CC)CC	395111121	BTKZRMWZEVPNDF-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CC12CCCCC2	395667115	JOPFOCHIZBEVTN-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
C[C@H](C[C@@H](N)CC1CCCCCC1)C1CCC1	398735308	UNEUNGSBAGLLOC-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CCCC12CCCC2	686308055	DYQCNUZUGOGKBR-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@@H]1CC12CCCC2	691105574	QTZNASKEWFWXLB-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CC1CC(CN[C@H](C)c2ccc(C(C)C)cc2)C1	691892931	QJAPDQNVANVLSF-SHARSMKWSA-N	245.410	4.507	0	10	BJAE	
CC(C)NC[C@@]1(CC2CC=CC2)CCC[C@H](C)C1	692163713	GSGJGHRVHDQZBK-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCCC[C@@H]1C	696780955	HSQRKBWPGMMDBC-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@@H](NCCC1(C)CC1)c1ccccc1	698059069	ACBVQKSMIMIWDZ-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
Cc1cccc(Cl)c1NCCCCC(C)C	703986860	KFJYLOZSXJVUCN-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
C/C=C\[C@H](NCCC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	704679662	SAYDEHJFZZANGW-JKTIURHJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@H]1CCCC12CC2	706219212	YDXWIXQBHTYPHN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1csc([C@H]2CCCC23CC3)n1	706289869	PXHHWCOFYXYKGB-GHMZBOCLSA-N	235.396	4.704	0	10	BJAE	
CN[C@@H](c1cccc(C)c1C)[C@H](C)CC(C)(C)C	708315222	GYPLDNASUJCNSZ-CZUORRHYSA-N	247.426	4.636	0	10	BJAE	
CCN[C@H](CCC1CCC1)C1CCC2(CC1)CC2	709969768	FAPFLKUISPTMPW-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C[C@H](O)C(C)(CC)CC)C(C)(C)C	711066501	MWNLOCIOJOGUBU-STQMWFEESA-N	228.420	4.636	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1ccc(C)c(C)c1	711243739	BQVJTFCCQHDDQT-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@@H]1CCCC[C@@H]1C	713695673	NZBUVOBPIKIDDU-AKLKCZIESA-N	249.442	4.703	0	10	BJAE	
C=C/C=C/CCc1ccc(Cl)cc1Cl	713741710	ZOMXGLQPKDJEIG-ONEGZZNKSA-N	227.134	4.668	0	10	BJAE	
C=C/C=C\CCC[C@@H]1CCCC(F)(F)C1	713747250	WLNKBQNKKRTLCW-VSQXVHSFSA-N	214.299	4.724	0	10	BJAE	
CCC[C@@](C)(CCCC(C)(F)F)CNC(C)C	718687709	SCWXLXDGCOJLTG-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H](C)C1(C)CC1	720921218	ZKISTUVWTYUDJB-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2CC(C)(C)C2)CC1	723562599	MLDHLNXELGOMLG-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2CCC=CCCC2)C1	1651660951	JUKZUQZBYMPKST-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1C)C(CC)(CC)CC	1909223978	JAUSAONPXNOYDC-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)NCC=Cc1ccccc1	1912058748	RMDPOZBCDWQFIZ-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@H]1CC1CCCC1	1913403473	JSVFRQVQESBRSI-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](NCC)[C@@H]1CCC2(CCCCC2)C1	1915908947	TZSZQUXFZFMUON-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CC[C@@H]2C[C@@H]2C1	1917450565	LPPSYKOZZWWKFX-VQHPVUNQSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@](C)(N)c1ccc2ccccc2c1	1920490150	IVMZSXXXIRQWLP-QGZVFWFLSA-N	241.378	4.594	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCCC12CCC2	1921489216	IZZQRBNMOOKEJA-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(CO)C1CCCCC1	1923885972	DJDGHDVNBCVBJQ-INIZCTEOSA-N	240.431	4.638	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)C1CCCC1	1924133932	YKXQGFDVYXAAOF-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C1=C[C@@H](Cc2sccc2C2CC2)CCCC1	1925814860	PZUZKUPBSLSGEH-GFCCVEGCSA-N	232.392	4.914	0	10	BJAE	
C[C@@H](C[C@H](O)CC1CCC=CCC1)C(C)(C)C	1941825222	GBSOBCFARMVODJ-ZFWWWQNUSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CC(C)(NCC2(C)CCCCCC2)C1	1942003231	LINMCJUDYAUVIA-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CCNC1C(C)(C)CCC1(C)C	1942803440	NQGPZXHQMYNYKI-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C[C@H]1CC1(C)C	1944742137	RSWZSWKGBLZLEM-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1CCC[C@@H]1C	1944782928	DFJHGSKOKUFZEC-UONOGXRCSA-N	232.367	4.625	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CCC(C)(C)C2CC2)C1	1945584734	GPHXJRSTZKBSRM-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(O)CCCCCCC2)C1	1947546991	OGFNIGWMXYQBPR-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCCNCC1(C[C@@H](C)CC)CC(C)(CC)C1	1948412736	HUOSRZQWOQLBLK-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCCC1([C@H](N)[C@H]2CCC[C@H](CC)C2)CCC1	1948926754	FCOHDSVXNDOEPJ-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@](N)(CC)c1cccc(C)c1	1948965216	ZAZSPXOZIZVZON-MRXNPFEDSA-N	233.399	4.529	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@@H]2CCC2(C)C)CC1	1949065784	SDNQXTSZWMGBCK-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1CCC12CCC2	1949323956	HQWIZGHPALNABE-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@](N)([C@H]2CCC(C)(C)C2)CC1	1949450011	CCIGJFNNHVEBCX-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCC2(CC2)C1)CC(C)(C)C	1950261989	GPDFVTQHKFDFOZ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)[C@@H]1CCC[C@H](C)CC1	1950910534	HLPBKVMZLINWKA-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2cccc(C3(C)CC3)c2)C1	1967832343	MJJJEGPFFXVMJE-DZGCQCFKSA-N	243.394	4.729	0	10	BJAE	
C[C@]1(CNCCCC2CCCCC2)C=CCCC1	1967836563	GUZLPDFVLWXJHA-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](Nc1ccc(Cl)cc1)c1occc1C	1968265903	RFLJOZRSRKCMKT-ZDUSSCGKSA-N	249.741	4.805	0	10	BJAE	
CCCCC1CC(N[C@H]2CCCC[C@@H]2CC)C1	1968858526	CYAAENYXTKIXJJ-GRAKBVBRSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1CC2(CCCCC2)C1	1968859475	OLCLUOLAHANXAD-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](N[C@H](C)C1CC2(CCC2)C1)C1CCC1	1969867427	UOUSQJKSKHHKIE-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]2C1)C1CCCC1	1970682002	YUPIPUJOWIHCLZ-DZUCGIPZSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@H]1CC(C)C	1971389333	LJKPTXJALBWZTH-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H](NC1CC2(CCCC2)C1)[C@@H]1CC1(C)C	1972924694	NTDMLGOWLSSCIS-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@@H](CCC(C)(C)C)NCC	1976009950	FQGQIMCAVPBGPW-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)c1ccc(C)s1	1976010207	IHBWQKIUJHJZAM-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@](CC)(CN)CC1(CC)CCC1	1978633721	OVKINNOSCLCCBJ-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
C[C@H]1CCC[C@H]1n1ccc2cccc(Cl)c21	1982612745	QKOJFPFULPGBKT-GXFFZTMASA-N	233.742	4.656	0	10	BJAE	
C/C=C/CCCOc1cccc2sccc12	1984578863	JRUHKIXGJOUSCC-NSCUHMNNSA-N	232.348	4.636	0	10	BJAE	
CC=CCCCC(=O)[C@H](C)C1CCCCC1	1984593895	WNQFHKXGSSACHT-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
Cc1cc(O[C@H]2CC[C@@H](C)C2)c(C)cc1Cl	1989926365	LZSMKJKJJYHKPT-SKDRFNHKSA-N	238.758	4.524	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@H](C)CC(C)C	1990810739	YMQQAVFILLUXLQ-CABCVRRESA-N	227.436	4.712	0	10	BJAE	
C=C=CCCc1ccc(-c2ccccc2)s1	1994919072	IHAATXSCVPUCOB-UHFFFAOYSA-N	226.344	4.689	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@@H]1CC[C@@H](C)C1	1996267949	JMSBVCSGMGIHJK-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](C(CC)CC)[C@H]1CCCC(C)(C)C1	2000044025	GDXQITXYFXDLCV-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1CC(C2(N)CCCCCCC2)C1	2002334613	IABARDDGLVNXTF-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2CCC[C@H](C)C2)cc1	2002999190	QYBCJWIYKBZRPW-RRFJBIMHSA-N	231.383	4.622	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@](C)(N)[C@H]1CCCC(C)(C)C1	2003014016	AKRVVZSUHKAKMZ-FQLMCAECSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CCCCCC[C@H]1O	2003098613	HBHQHOCCBQIPOH-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H]1CCCCC(F)(F)C1	2003180880	FFFJJYBVLHKVME-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H]1CCCC[C@H]1CC	2004235527	ZQWWNVVOFWJNRI-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@H]1NCC1(C)CCCCCCC1	2004936933	HILOTARPIDOJNJ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC)C1(C)CCC(C)(C)CC1	2007685707	FOQHIBXSXCXDJP-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@H](O)C1(C)CCC(C)(C)CC1	2007697936	QXKBPICHUOYWIQ-AWEZNQCLSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCC(C)(C)CC[C@H]1O	2009407664	OPOXBWCFQQNKKG-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CC[C@@H](CC)C1	2009634601	HWGKKGKMGFLHOW-GUJPZIPKSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](N)C1CCC(CCC)CC1	2009635120	LGPLGBDQMRDHTF-HRGWESDBSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@H](CCC(C)(C)C)NC)CC1	2010711683	CIIRFDXJMCBYGK-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010728129	CIZUHXPHSIEWPJ-CABCVRRESA-N	237.431	4.523	0	10	BJAE	
CC[C@H]1CC=C(CC(=O)CC2CCCC2)CC1	2010781470	JEKQZUFTRKJFCW-ZDUSSCGKSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](CCC)NCC[C@]12CCC[C@H]1C2	2010995175	NBGYAZCVWVDWBU-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CCC12CCC(CC1)CC2)NCC	2012836840	QOCMODMWVOTBSY-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H]1c1csc(-c2ccccc2)n1	2014872775	NNAGOLRKJMOXPD-LBPRGKRZSA-N	243.375	4.714	0	10	BJAE	
CC(C)C(C[C@H]1CC[C@H](C)CCC1=O)C(C)C	2015389340	USWRFCCSKYUDEI-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CC(C)CNC[C@H](CC(C)C)C[C@H](C)C(C)C	2015403133	XPMFKVSQWLHSGB-JKSUJKDBSA-N	241.463	4.577	0	10	BJAE	
CCN[C@@H](CCCC1CC1)CC1(CC)CCC1	2015599889	SUIKYFVGTASAIA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(OCC2(C(C)(C)C)CCC2)cc1	2017125520	OGKSQQWBSVVHSH-UHFFFAOYSA-N	232.367	4.590	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)C1(C(C)(C)C)CCC1	2017153869	CDAHCTWCLOAMIU-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CN(C)C[C@H]1CC[C@H](CC)CC1	2017650909	NHGRNUQVYACHKM-WKILWMFISA-N	239.447	4.571	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017715814	KKOQMMUDSCBAKB-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(C[C@H](C)CCCCN)CC1	2017733395	JXLXHUIIAGIYSK-QQFBHYJXSA-N	239.447	4.748	0	10	BJAE	
CC(C)CCCN(C)[C@H](C)[C@H]1CCC[C@H](C)C1	2019300542	USJHUEAXSNFOJT-XHSDSOJGSA-N	239.447	4.569	0	10	BJAE	
CCCCN(C1CCC1)[C@@H]1C=CCCCCC1	2020635108	IAGBCGRJIDDAKK-OAHLLOKOSA-N	235.415	4.530	0	10	BJAE	
CC=C(CC)[C@]1(N)CCCCC12CCCCC2	2020918514	QCVCKLULFFRCMG-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CC(C[C@H](N)C(C)(C)C)CC(C)(C)C1	2024091026	DTNLCDCPDQTYKI-ZDUSSCGKSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC1CC(C)(C)C1	2026168040	WZHXAVWWOXYHQF-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
C[C@H](N(C)C1CCCCCC1)[C@]12CCCC[C@@H]1C2	2027017438	OQCURCMJOXRMHD-ZMSDIMECSA-N	249.442	4.610	0	10	BJAE	
CC(C)=C(C)CCN(C)CC1CCC2(CC1)CC2	2027024012	XCSPGESWFGJTGO-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC1(Cc2cccc3c2CCCN3)CCCCC1	2027308203	DAIGBNWADGRNRQ-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
C1CCC(CCCNC2(C3CCCC3)CC2)CC1	2027383391	PMZAEOSJMGWGRR-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)c1coc(C)c1	2027820720	IXTOQMQMQVRJID-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
C[C@H]1C[C@H](CCCC2(C)CC2)Nc2ccccc21	2027836027	HBDMATGTZLZZDD-KBPBESRZSA-N	243.394	4.945	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)CCC[C@@H]1CC1(C)C	2027844427	ZPBKWPSTDWFYJZ-CABCVRRESA-N	246.394	4.553	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)c1ccccc1CC	2028251742	JACKFKMHJLSFCG-WBVHZDCISA-N	247.426	4.582	0	10	BJAE	
CCCCc1ccc([C@H](N)[C@@H](CC)C(C)C)cc1	2028252103	LWXUZNGZAMDMIF-IRXDYDNUSA-N	247.426	4.711	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)c1cc2ccccc2o1	2028252629	PQIRERYSARAYTO-CZUORRHYSA-N	245.366	4.505	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](CCC)C(C)C)cc1	2028256139	WCPRNTLPZYVQDB-MRXNPFEDSA-N	246.394	4.894	0	10	BJAE	
CC[C@@H](C(=O)c1cc2cccc(C)c2o1)C(C)C	2028259250	YULHPVCYLJOQGW-CYBMUJFWSA-N	244.334	4.606	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)c1ccc(C2CC2)cc1	2028591402	SLUHFRALAJFXQS-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CN[C@@H](CC[C@H]1CC1(C)C)CC1CCC=CCC1	2028871354	ZPQXXASZSPTOTJ-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
c1cc(C2CCC2)ccc1NC1C[C@@H]2CC[C@H]2C1	2029079061	SYRVGGVWCKMPDR-GJZGRUSLSA-N	241.378	4.555	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)c1cccc2ccccc12	2032345932	IKFSYHIJMFNQNJ-MRXNPFEDSA-N	241.378	4.522	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@@H]2CC2(C)C)c1C	2032421835	UAXQNBDSGJNHFX-CQSZACIVSA-N	244.378	4.539	0	10	BJAE	
C[C@@H]1C[C@H](C[C@H]2CC[C@@H](F)C2)Nc2ccccc21	2032946505	BXKHCNBXXBUPDZ-XJFOESAGSA-N	247.357	4.503	0	10	BJAE	
CC(C)c1ccc2c(c1)C(=O)C[C@@H](C(C)C)CC2	2034535077	ZGTWFAAUKAWGOD-HNNXBMFYSA-N	244.378	4.601	0	10	BJAE	
OC1(C[C@@H]2C=CCCC2)CCC2(CCCC2)CC1	2035596551	CQHBRIGFUQKTKP-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1)C1CCC1	2036662296	VKNYVKIMRXZVQF-NCOADZHNSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)[C@H]1CCC(C)(C)C1	2037705643	VQKVSJYIYSPEGJ-GRDNDAEWSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)CC1CC(C)(C)C1	2037976339	JLIFJPVXRVMZCT-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC[C@H]1C)c1ccccc1	2038138966	POSBJDUCVRHCDC-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H]2CCC3(CC3)C2)CC1	2038579046	KZTFTLZZQVEQRU-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@H](CNC2CCC3(CC2)CC3)CC1	2041384215	SLIXZDIBCGIDFT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@H](Cc2ccc3ccccc3n2)CCCC1	2042655882	SZBAEOKYDWMZFI-AWEZNQCLSA-N	237.346	4.524	0	10	BJAE	
CCCC1(CN[C@H](C)CC2=CCCCC2)CCC1	2043189655	CPRXREAUEFZXBC-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
CN(C[C@H]1C=CCCCC1)C1CCC(C)(C)CC1	2043259095	MVZKXWKIFMXHRP-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CCC[C@@H]1C[C@@H]1NC1CCC2(CCCCC2)CC1	2045666391	QOOAZQPNCPCGTH-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC[C@@](N)(C[C@H]1CC12CCCCC2)C1CCCC1	2047058651	KWVCDPLZDYRSCT-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)c1ccc(NCC2(F)CCCC2)cc1	2047239200	TWKZHTIUONOMOA-UHFFFAOYSA-N	249.373	4.678	0	10	BJAE	
C[C@H](C[C@H](N)[C@H]1CCC12CCC2)C1CCCCC1	2047937276	WRSKUMUYIRPORW-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@@H]1CCC2(CC2)C1	2049844635	CEEKTVUUZNMYFA-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC([C@@H](N)CC2CCC3(CC2)CC3)C1	2049854007	GNTDONKNNFFRRQ-GPANFISMSA-N	249.442	4.501	0	10	BJAE	
CCC[C@]1(C[C@H]2CCC3(CC3)C2)CCCCCN1	2049860075	BBHXCNWUFMMFIX-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@]1(C)C=CCCC1	2049998821	XYYDPPNEAYTINR-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@@]1(CNC(C)C)CCCC12CC2	2053360754	RIIYNGAHBLDYJN-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(CC2CCCCC2)CCCC12CC2	2053361724	XVUBFGDEPKRYPG-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@H]2CCCCC23CC3)C1	2053417211	ZUGHADBZETWVFG-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(F)(F)F)c(Cl)cc1C(F)F	2054884959	VFMBZTQWHWTMHA-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1C=CCCC1(C)C	2055541740	KIXRGENOVQSDLL-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCC=C[C@]1(N)C1CCC(C(C)(C)C)CC1	2055567562	YTIJHWKPBXPXQG-ARAOSMHQSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)[C@](O)(C[C@H]2CCCC3(CC3)C2)CCC1	2055605190	XGQQEXMFCJJQOI-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CC1CC(C2CCC2)C1	2056640373	ORKZLLQLUNIDDE-MHVXSEJMSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@H](C=C2CCCC2)NC)CC1	2056879697	VSWQDBKFGPDYGC-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
C[C@H](NC1CC1)[C@@H](C)C1=CC[C@H](C(C)(C)C)CC1	2061151802	VODLINRMFAIRAB-IPYPFGDCSA-N	249.442	4.536	0	10	BJAE	
C=C=CCC[C@@]1(CNCC(C)C)CCC[C@H](C)C1	2061566675	OXMXHVXGDPMDAF-DLBZAZTESA-N	249.442	4.550	0	10	BJAE	
CC(C)NC[C@]1(CCC[C@@H]2C[C@H]2C)CC=CCC1	2062645001	BVXVAEDSGUBMKF-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@@H]2C=CCC2)CC(C)(C)C1	2063633760	CRWJAHMXQGNTPF-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1C[C@@H](C[C@@H]2CC=CCC2)CC(C)(C)C1	2063638430	PPRBTUMZMKVDHY-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)CC23CCC(CC2)C3)CC1	2065305134	HMUHLWIIAYSWTQ-LQWAEYHHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@H](C)c1ccccc1	2065990085	KEUKEORYDNVOOW-RDJZCZTQSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2ccccc2C2CCC2)N1	2066376232	RTWHIIKQLMTXLC-RHSMWYFYSA-N	243.394	4.547	0	10	BJAE	
CC1(C)CC[C@@H]1CN[C@H]1CCC2(CCCCC2)C1	2068238471	FOAIAVOJCZJPJE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)C(CC=C1CCC2(CC1)C[C@H]2N)C(C)C	2068946002	JMFVSAQMYVLFHA-TZHYSIJRSA-N	249.442	4.523	0	10	BJAE	
CCCC1(CN2CCC[C@@]3(C)CCC[C@H]23)CCC1	2069273725	PSCRXPUVKWMWTE-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)C1(CC(C)C)CC1	2069515041	VVRLYJWBFBDMGX-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC1CC(C2CCC2)C1	2070304147	LYWPIAUJPMNQQV-BDVYOWHSSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C[C@]12CCC[C@@H]1C2)C1(CC)CCCC1	2070862050	PQUDNXBLMULHMO-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](C[C@]23CCC[C@@H]2C3)C1	2070927352	SJDOHOHBERTMHG-CFAJVAMVSA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@@H]1CC[C@H]2C[C@@H]21	2071198479	GJWLIVWMTHYTOS-CAOSSQGBSA-N	248.410	4.742	0	10	BJAE	
CC(C)C1(CC(=O)C[C@@H]2CCC[C@H]3C[C@@H]23)CCC1	2071922864	WSMOVENKYQNUST-DZKIICNBSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@@]1(C[C@H]2CC[C@H](C)CC2)C=CCC1	2072803216	GBYDIWJUZJACNA-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc2c1ccn2C[C@H]1CC[C@H](C)CC1	2072878641	LYVFNMFPAYQPDF-CTYIDZIISA-N	241.378	4.776	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)CC1	2072879361	TVAZBEQDMIXYCO-JHJNDJDLSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)[C@@H](NC)c1ccc(C(C)(C)C)cc1	2077189423	HUVRUWPVYYGMMH-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CCN[C@H](C)C(C)=C[C@H]1C[C@@H]1C1CCCCCC1	2079700470	JPLZSVQYFKGYFD-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
c1ccc(OC[C@H]2C[C@H]2C2CCCCCC2)cc1	2079813727	LTGFQUCASSXCOC-WBVHZDCISA-N	244.378	4.672	0	10	BJAE	
CCN[C@@H](C=C1CCC1)[C@@H]1CCCC(C)(C)CC1	2080254073	AMEBMOKDYRQXRT-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C1CCCCC2(CCCC1)C[C@@H]2CNC1CCC1	2083205350	ZJKPRMHTMLESEB-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CN([C@H]1C=CCCCCC1)[C@@H]1CC(C)(C)C1(C)C	2084430476	URVZUSDFBIEPPZ-LSDHHAIUSA-N	249.442	4.632	0	10	BJAE	
CC(F)(F)CCCCC=Cc1ccccc1	2210661836	GDIUVVLUDZMPOW-UHFFFAOYSA-N	224.294	4.915	0	10	BJAE	
Cc1cc(C[C@H]2C=CCCC2)c(F)cc1Cl	2210737250	NFUBHBFUCLDJEQ-NSHDSACASA-N	238.733	4.686	0	10	BJAE	
CC(C)(C)CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213279167	CTXYHMMZNPNVNS-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](C)(CCCCC1CC1)CNCC	2214569271	NAOFVDFQGFMVKZ-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC[C@](C)(CNC(C)C)CC1(C)CC(C)(C)C1	2215392085	BARDIWZWXFRZMA-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC1(C)CC2(CCC2)C1	2215436381	ZLEDJMLMESBUMC-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)c2cc(C)sc2C)CC1	2215819494	WEAXFRPZOBGPPY-HUUCEWRRSA-N	249.423	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC1(C)C)C(C)(C)CCC	2216283442	RSFKDWPNBUFMPC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)C[C@H](C)C(C)C	2217125821	RSMZTQDJKGUOLH-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CC(C)C)CCCC1(C)C	2217131162	RGQKUHFUEAYACF-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NCC(CC)(CC)C1CCCCC1	2217138799	NCICPMUOAUBCOD-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218375461	VEHNMWMHFFJRFL-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
CCc1occc1[C@@H](N)CCCCCCC1CC1	2218733017	VNCQKUFGUVCRAQ-HNNXBMFYSA-N	249.398	4.592	0	10	BJAE	
C[C@@H]1CC[C@H]1C[C@@]1(N)CCCC2(CCCCC2)C1	2220664001	QAOXZKVTUWJEKV-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cc(N[C@H]2CCCC(C)(C)C2)ccn1	2220885374	LWMMCGHBSVCQGL-AWEZNQCLSA-N	246.398	4.586	0	10	BJAE	
CC1([C@@H](N)CCC2CCCCC2)CC2(CCC2)C1	2221002724	BGRCWXIZWXRDAM-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@H](N)CC2=CCCCC2)CC2(CCC2)C1	2221013744	NARCYXQMPAWFAX-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(C(=O)CC2(C)CC3(CCC3)C2)cc1	2221071133	HWAZUVWWWCEYEL-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)[C@H]1CCC[C@H](C)CC1	2221997646	UYMVFPROHHUPKR-YLQAJVPDSA-N	246.394	4.553	0	10	BJAE	
C=CC=CCCN(C)[C@H]1CCC[C@@H](C(C)(C)C)C1	2222269647	SOGHKHHEAAYZAT-CVEARBPZSA-N	249.442	4.655	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)C(C)(C)CCC	2222302618	PYAOXYUCNAJQQV-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
NC1CCC(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	2222933433	LQUBEOODECURCE-LHJGCZIBSA-N	249.442	4.501	0	10	BJAE	
CCCC=CCNC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222955399	SOGRAMHMVYFZNG-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
C1=C(CCNCCCCCCCC2CC2)CCC1	2223154253	IJYITQNFFJFXRZ-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CCC(CC)[C@@]1(CNC2CCC2)CC12CCCC2	2223546573	BVSKBGJMPGMVST-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)CC1(CNC2CCC2)CC2(CC2)C1	2223566533	QBWUZWAFTRESNZ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@@H](C)CC(C)(C)C	2244800935	PDZYBGGEUOYKFL-MGPQQGTHSA-N	227.436	4.602	0	10	BJAE	
C[C@H]1CCC[C@](O)(CC[C@H]2CCC[C@@H](C)C2)C1	2246690521	DXHQMSZPLLTGAH-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(C)CCC[C@@]2(C)O)C1	2246731283	ZPCZWVVEXDMWBA-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)CC1(C)CCCC1	2247122868	VICKJBPWNCEFGX-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCC[C@H]1C[C@@H]1C)CCC(C)(C)C	2247130547	VYZFXMRMOKHSCD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCCN(CCCC[C@H]1C[C@@H]1C)C(C)C	2247161030	YEZGNULDVAWADC-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
CCCC1([C@@H](N)CCCC[C@H]2C[C@H]2C)CCC1	2247175497	JMIPVQSHAUZPCD-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc2cc(CC3=CCCCC3)oc12	2247514164	PIPMSZQZHFQMFI-UHFFFAOYSA-N	226.319	4.784	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H](C)C1CCC1)NCC	2250374916	YNEXPWQBDDCOQL-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)CCC1CC1	2250474416	HPACKRVQJQUYHH-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1C[C@H](C)CCN1	2250477255	VSCBFOPQOBCMPQ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)C[C@]12CCCC[C@H]1CC2	2251154702	QSMZYIAJXQGAOT-GOEBONIOSA-N	236.399	4.886	0	10	BJAE	
Cc1cscc1C(=O)C[C@@]12CCCC[C@@H]1CC2	2251157112	FZSAMAUWZZKKSB-DOMZBBRYSA-N	248.391	4.600	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@]12CCCC[C@H]1CC2	2251162373	KOCJRFWJSSEFEG-BBRMVZONSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C(F)F)[C@H]1CCCCCCCCC1=O	2253079459	NQDOZXRISMISIL-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)C[C@H]1CCCCC12CC2	2253784270	PQXYBOBLPJAGCJ-FMKPAKJESA-N	248.410	4.598	0	10	BJAE	
CC1(C(=O)CC[C@@H]2CCCCC23CC3)CC=CC1	2253792426	KJQZHRQCPZKANF-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
CCCC1(C[C@@H]2CN[C@@H]3CCCC[C@H]3C2)CCC1	2253815453	IZDWJHHQUIUSFI-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CC[C@H]3CCC[C@@H]3N2)C1	2253968045	BRKSVTVRJYSDDA-HHARLNAUSA-N	249.442	4.514	0	10	BJAE	
NCC[C@H]1CCC[C@H](CC2CC3(CCCC3)C2)C1	2254084134	LSNCFDUMXCDSKY-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
CCN(CCCC[C@@H]1C[C@H]1C)c1ccc(C)cc1	2254588969	UFERRPVYGOSNEM-HZPDHXFCSA-N	245.410	4.648	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@@H]1C)[C@@H]1CC=CCC1	2254594791	RZWJJLYAUUKMFH-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cc(C(=O)O)cc(C2CCCCC2)c1	2254764689	MPBCUHDXCMJMCN-UHFFFAOYSA-N	246.350	4.556	0	10	BJAE	
CC=C(CC)[C@H](C[C@H]1CCCC12CC2)NCCC	2255242466	AECJPVRXCZDLHR-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)cc(NCC[C@@H]2CCCC23CC3)c1	2255277313	FDFOUXHWTAFQCR-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@@H]1CC12CCCC2	2257282514	KIDIOLFUCLTUOJ-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H]3CC[C@H]32)cc(C)c1C	2258240526	DEFRAQURBZVSHA-DJIMGWMZSA-N	243.394	4.602	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)[C@@]12CCCC[C@@H]1CC2	2260525884	YUVSQAHFUXLVGB-VMUDFCTBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@@]23CCC[C@@H]2CC3)CC1	2260572603	BXVJXEUEAAAIBH-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)ccc1NC[C@]12CCCC[C@H]1CC2	2260623731	NZUSWAWVWZCQIB-XJKSGUPXSA-N	247.357	4.516	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@]12CCC[C@H]1CC2	2260673511	SEGVBSFVMIMILD-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1O[C@H](C)CC1CCC1	2298878471	LHOQTVNQBSDOIF-CYBMUJFWSA-N	232.367	4.768	0	10	BJAE	
CCC(CC)CC[C@@H](C)[C@@H](C)CNC(C)(C)C	2300699291	FRUMQCOZEJBTKQ-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCC(C)=CCNC1CCCCCCCCC1	2300866654	BMSUELJZERNQGC-UHFFFAOYSA-N	237.431	4.825	0	10	BJAE	
CC=CCC(=O)C1CCC(CCCCC)CC1	2300873103	WGVMBYAVZFOCBT-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CCC(C)=CC[C@]1(N)CCCCC[C@@H]1C(C)C	2300902156	QWKLNQLFJGOXQF-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CCC(=O)C(F)(F)C1CCCCC1	2300921004	LVKLDGISHJGNAN-UHFFFAOYSA-N	244.325	4.518	0	10	BJAE	
NCC[C@H]1CCC[C@H](CC2CCCCCC2)C1	2301244232	KNAPPHLMHARGPN-HZPDHXFCSA-N	237.431	4.502	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)[C@H]1CCC[C@@H](C)CC1	2301836464	MXMOXTWNGNGZFI-BARDWOONSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](O)C[C@@H](C)CC(C)(C)C	2301965506	UMKXRCRQINVBEK-QPSCCSFWSA-N	242.447	4.738	0	10	BJAE	
COc1ccc(C(C)C)cc1-c1csc(C)c1	2302251188	GHXKOAYTTUPAHE-UHFFFAOYSA-N	246.375	4.856	0	10	BJAE	
C[C@H](C(=O)CCCC1=CCCCC1)C(C)(C)C	2302347557	RYDGYQFWMWATNG-CYBMUJFWSA-N	236.399	4.908	0	10	BJAE	
CCNC[C@@](C)(CC)CCCC1=CCCCC1	2302353551	HNIHTYNAZGSQOW-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CCCC[C@@](C)(CN)CCCC1=CCCCC1	2302355500	BXMCWFNQIZCKMZ-MRXNPFEDSA-N	237.431	4.812	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@H]1C)CCC(C)=C(C)C	2302608843	BNUUYWLLUIQHOK-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)CCCCCC1CC1	2302609622	GKFGJIPZQKELNP-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)C[C@H]1CCC(C)(C)C1	2302710147	NSEFHDNLBBFUHT-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCC(C)(C)C1)CC(C)C	2302899995	SICBDYVVGIXIHM-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@H]1CCC(C)(C)C1	2302900343	DBBIJLAALCBGGF-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN(C)CCCC(C)(C)C	2303329466	BDWJMHRAABQLJE-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CC1=C(C)C[C@@](CN)(C[C@H](C)CC(C)C)CC1	2303574873	DLIBRSMDCXGKLE-CJNGLKHVSA-N	237.431	4.524	0	10	BJAE	
CC1(C)CC[C@@H](CCC[C@]2(C)CCCCN2)C1	2304432522	WDLMKKXEZRUVGG-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C)C(=O)c1ccccc1	2307801605	OEOIDZZQQBEKSE-KGLIPLIRSA-N	232.367	4.722	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1C(C)=CCC[C@H]1C	2307839270	WYQPQMODWWNUIB-UGUYLWEFSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C[C@H]1CCCC12CC2	2307894289	QTZFELREEOTXGT-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN[C@@H](C)CC)C[C@H]1C	2307922217	CRPAJEUAJBUQAV-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1C[C@@]12CCC[C@@H]1C2	2310891514	QRGQTJYQYISILW-VVLHAWIVSA-N	249.442	4.515	0	10	BJAE	
CC(=CCN1[C@H]2CCC[C@@H]1CC2)CCCC(C)C	2316507976	HJBBJLXOOFZBSL-CALCHBBNSA-N	249.442	4.776	0	10	BJAE	
C[C@](N)(CC1CCCCCC1)[C@H]1C[C@H]2CC[C@H]1C2	2316885327	QEGYADRVYVIFQU-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(C[C@H]1C[C@H]2C=C[C@H]1CCC2)C(C)(C)C	2317119481	SZXBYISCVUMDOD-KCYZZUKISA-N	249.442	4.523	0	10	BJAE	
CCC1(C(=O)C[C@H]2C[C@H]3C=C[C@H]2CCC3)CCC1	2317201476	PEAHPWCDXCORFK-RBSFLKMASA-N	246.394	4.518	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Cc1cccc2c1NCCC2	2317834450	JRLDMYIYCDKHAU-UONOGXRCSA-N	245.410	4.515	0	10	BJAE	
COc1ccc(CCCC(C)C)c2ccccc12	2318389897	TYKKFSFQFMHWHJ-UHFFFAOYSA-N	242.362	4.827	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)CCCC[C@@H]3C[C@@H]32)C1	2319247667	XWTGMIJMHLXHDD-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC[C@H]3C[C@@H]32)c1	2319251827	HYTAOWDOSZNDAE-BHYGNILZSA-N	243.394	4.801	0	10	BJAE	
CN(C[C@H]1CCC(C)(C)C1)[C@H]1C=CCCCCC1	2319889637	QLMXQTLNYOMBQU-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CCCC[C@@](O)(CC)Cc1cccc(C(C)C)c1	2320632621	CTYGWYXPULVDSP-KRWDZBQOSA-N	248.410	4.684	0	10	BJAE	
CCc1cc(F)cc(N[C@H](CC)c2ccco2)c1	2321083100	NUDWSSKOTDBPTE-CQSZACIVSA-N	247.313	4.544	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cc2ccccc2o1	2328098634	YEDCUBPPEOIDEN-LBPRGKRZSA-N	244.334	4.832	0	10	BJAE	
CCCCCC[C@@](CC)(CCC)NCC	32157034	WPBUWLGXRUFDKM-CQSZACIVSA-N	213.409	4.515	0	10	BJAE	
CC[C@H](C)CN[C@@H](C)c1ccc(C(C)(C)C)cc1	36921604	HBZYBHNKBKUBGN-KBPBESRZSA-N	247.426	4.681	0	10	BJAE	
CCCOc1ccccc1N[C@@H](C)CCC(C)C	36955513	MPWQLABYUGRJMT-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
CCC(CC)[C@H](N[C@@H](C)C1CC1)c1ccccc1	37107798	GJWGEJRKAPZIQG-GUYCJALGSA-N	245.410	4.552	0	10	BJAE	
CCCCC[C@H]1C[C@H](c2ccccc2)CCC1=O	44469011	CDXYAOODBUXPKX-CVEARBPZSA-N	244.378	4.720	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)c1cc(C)sc1C	50401027	NDXSBBVGWFASPW-AAEUAGOBSA-N	239.428	4.594	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)c1ccsc1	71085208	APEAJJGWDQAUDI-GXTWGEPZSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC[C@H](CC)C1	71127059	QWSPMWRQDXSGBK-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2cccc(Cl)c2)[C@H](C)C1	82857288	XHZNOSSNHVUORR-GYSYKLTISA-N	237.774	4.577	0	10	BJAE	
CC(C)C[C@@H]1NC[C@H](CC(C)C)c2ccccc21	84231193	KEHNFZOUUNCIHC-YOEHRIQHSA-N	245.410	4.507	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1	84981999	VQQRKFQFTMHNCG-BPLDGKMQSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CN)CCC[C@H](C)C1	87932387	SEUUIPVXOCVXDL-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
Cc1ccc([C@H](N)C2CCC(C)(C)CC2)c(C)c1	87941808	YYLLGWAGKYDNHL-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CC[C@H](N)c1cc2cc(C(C)(C)CC)ccc2o1	88074285	BXZOOFYRKWEMBA-ZDUSSCGKSA-N	245.366	4.530	0	10	BJAE	
CCNC[C@H](CCC(C)(C)C)c1ccccc1C	93104519	ZTKMHADUQFNUNV-HNNXBMFYSA-N	247.426	4.514	0	10	BJAE	
c1ccc2ncc(C3CCCCCC3)cc2c1	96675365	BMMGCCINKBGTNN-UHFFFAOYSA-N	225.335	4.673	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H](C)c1ccc(C)cc1	109902065	STGMBWQVQBHKQZ-QRTARXTBSA-N	247.426	4.860	0	10	BJAE	
CCC(CC)[C@H](C)NC(CC(C)C)CC(C)C	111664142	WHZXWBWGNUASED-AWEZNQCLSA-N	241.463	4.862	0	10	BJAE	
Cc1cc(C)cc([C@H](C)NC2CCC(C)CC2)c1	132414345	ZJDGLRGSGWOHQR-VXKCQOAXSA-N	245.410	4.533	0	10	BJAE	
CC(C)NC[C@@H](C)[C@H](C)c1ccc(C(C)C)cc1	133057768	SLPFZSDNPWNSME-CABCVRRESA-N	247.426	4.548	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CC(CC)CC)CC1	147999670	FMHOJOISWRIEPY-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)[C@@H](O)c1c(C)ccc2ccccc12	161006482	WFSUTAJYGNMVSB-INIZCTEOSA-N	242.362	4.618	0	10	BJAE	
CCCCC[C@H](CC1=CCCCC1)NCCC	161384311	OMSFMRZWAUVQGG-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cccc2ccccc12	163727691	PNGTURMDQXNBJZ-CJNGLKHVSA-N	239.362	4.830	0	10	BJAE	
CC(C)CCC[C@@H](O)c1ccc2ccccc2c1	165606823	ZMBZOWXMJDKGOK-QGZVFWFLSA-N	242.362	4.700	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H](C)C(C)(C)C)cc1C	166173647	YBHNHRCXMYJQDD-CQSZACIVSA-N	246.394	4.867	0	10	BJAE	
CCCCC1CCC(C(=O)C(CC)CC)CC1	168646199	XDVHKOQLXNSLFO-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1C[C@@H](CC)CCC1=O	217619332	FLGDPIGFCNHSME-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@@H]1C[C@@H](C)CCC	217633883	QKXCINBMYCIOTE-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1	226620905	VVTDDCZRXOFRPR-JTQLQIEISA-N	248.757	4.510	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCC[C@@H](CC(C)C)C1	230786651	MEPDWPXKWZQNGB-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CN[C@H]1CCC[C@@H](C(C)C)CC1	233000609	HBTLMBYQOVNKNO-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC/C=C/C[C@@H](CCC)c1cccs1	238234032	IKALKZHVPBMDLF-BTDICHCPSA-N	208.370	4.988	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@@H]1CC[C@@H](C)[C@H](C)C1	253055361	YPRIPIPTNDGEIS-LJIZCISZSA-N	239.447	4.602	0	10	BJAE	
c1cc(C2CCCCCC2)cc([C@H]2CCCN2)c1	258220193	DRJBOOMYWKHIOA-QGZVFWFLSA-N	243.394	4.549	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)CCC1CCCCC1	302248743	JUWHQLUUVYDCSE-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)CCC1CCCCC1	302473206	ZOYKYHPXVSEUNS-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCN[C@@H](C)CCC(C)(C)C	304433057	TWNYXRUURUQXTK-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)C[C@H](C)CC(C)C	305928390	JELLFTNHXQGXEW-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(Cl)c2scc(CC)c12	306914704	SCTOLRDWVDKVOA-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1cc(C)c(C)cc1C	308010789	AVWVKZMDYIERRO-DOTOQJQBSA-N	248.410	4.718	0	10	BJAE	
CC(C)c1ccc(OCC2(C)CCCC2)cc1	310144102	KXQPDIGWCRIKGK-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
Cc1ccc(OC[C@H](C)C2CCCCC2)cc1	310378322	ALRJPAVFVLCLOZ-AWEZNQCLSA-N	232.367	4.590	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@H](C)CC1(C)CCCC1	310531931	OGKYVLLXKNPXKM-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@H](O)c2ccccc2C(C)C)CC1	311192111	DWONBDDMKJFYNB-KVULBXGLSA-N	246.394	4.670	0	10	BJAE	
CCN[C@@H](CCC1(C)CCCC1)c1ccccc1	311233539	RXLHEVAWPRKXAY-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCCC12CCCCC2	313098777	FUWDZBWTMUSEKN-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCNCC1([C@@H](C)CC)CCC(C)(C)CC1	317813622	IWTGBAWXJXJYCS-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@@]1(CNC(C)(C)C)CCC[C@H]1C	318252474	MSFCGZRBTMXMRQ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(C(C)C)C(C)C)[C@@H](C)C(C)C	319307678	JMXCBNMFMSMPMB-HOCLYGCPSA-N	241.463	4.575	0	10	BJAE	
Cc1ccc(Cl)c(NCC2(C)CCCC2)c1	380738940	RPLOENDMEDHURC-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CC[C@H](C)C[C@@H](CCCCCC(C)C)NC	383213840	CQHXTLVZHPTQAQ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](CN)[C@@H](CCC2=CCCCC2)C1	384913751	DWTRUBHDHFBJHC-HYVNUMGLSA-N	249.442	4.668	0	10	BJAE	
Cc1ccc([C@H](N)C[C@@H]2CCC[C@H](C)C2)cc1C	385306722	ZBSYTWRVXFSMKV-XGWLTEMNSA-N	245.410	4.520	0	10	BJAE	
CC(C)CC[C@](C)(O)Cc1ccc(C(C)C)cc1	385412413	SQSAADHIIIFLMM-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
CSc1cc2c(C(F)F)csc2cc1F	396232882	DEBWTDLRTPLBTJ-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1sc2cc(C)ccc2c1C(F)F	396412325	VMDVXLCRJXQMDF-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC(C)[C@@]1(C)C[C@H]1NC1CCC2(CCCC2)CC1	397188677	NLGBEJAJUQVXPD-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC1CCC1)c1ccc(C)cc1C	398642401	AFRIFJNTNPEJOV-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc2oc(C(=O)CCC3CCC3)cc2c1	398795852	UGVUHBHNVMVBHT-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H]1CCC[C@@H](C)C1	400478576	VKYYKSSSJSJGHB-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CC1=CCCC1)NC	401129383	SATIFEBXADDRLX-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CC(C)(C)C1CC1	405737195	NXSJBSKBYVMRLO-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2CCCC1CCC1	688374338	MTSCPVMDCXQHDC-CQSZACIVSA-N	229.367	4.556	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cccc(C3CCC3)c2)C1	690119982	AFZINIYHKAFFOM-DYVFJYSZSA-N	243.394	4.945	0	10	BJAE	
CCCC[C@H](NCC)c1cccc(C(C)(C)C)c1	691652353	NELGDEWRJGUPGY-INIZCTEOSA-N	247.426	4.825	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@H]1CCCC2(CC2)C1	695955122	HZUPOSGTRQVAHX-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@H]1CCCC2(CC2)C1	696573764	PNZGNHOUKURPQD-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC1C[C@H]2CC[C@H](C1)C2	697732498	FFVVEDRVSRPKOS-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC1C[C@H]2C[C@@H]2C1	698032227	KYMTZYDVVPNSAA-HOTGVXAUSA-N	244.378	4.543	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccc(Cl)cc1C	701100389	YWDPEBPIRGKWPW-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C(C)(CC)CC	701147160	YSHHSDIHMAPLGI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)CCC(C)(C)C1CC1	704557675	NPLYVLIOWVHDBK-GXTWGEPZSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)C[C@]1(N)CCCCC[C@@H]1CC	704953782	VYUHWXKYECQQDK-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@@H](C)CC(C)C	708306226	ZTXQPEMCPLSGCT-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@H](C)CC(C)(C)C	709129970	NVRRCNJFCPCPIF-KKUMJFAQSA-N	241.463	4.993	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC1CCCCC1	709239081	VTNBWSKCWJRWGI-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccc(C3CC3)cc2)C1	709683728	KINVDCJZBHAUJV-WBMJQRKESA-N	229.367	4.555	0	10	BJAE	
C[C@@H](C[C@@H](F)c1cccc2c1NCC2)C(C)(C)C	711131404	WYTJGNGFVGQMDW-SMDDNHRTSA-N	249.373	4.738	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@@H](C)C(C)(C)C	711180098	BEXZUFXUHPMIKC-GDBMZVCRSA-N	241.463	4.865	0	10	BJAE	
CCC(C)(C)CC[C@](O)(CC)c1ccsc1	711258943	YMLWBBKNCHJLGB-CQSZACIVSA-N	240.412	4.562	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)CC1CCCC1	712512893	BFJZWRJSXRFTBN-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCCC[C@H]21)C1CCCCCC1	712527116	XDTJGDRCUPMNEI-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	713265939	QWFMOZBDJHXZQF-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
N[C@H](CCCC1CC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714407765	BXIPJUHACPRGCJ-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)c1cc(C)co1	716149585	XKAQMUWTNDOOPB-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H](NCCC(C)=C(C)C)c1cccs1	718624608	TVCHUEOKIBPSOC-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
CCC1CCC(CN[C@H]2CCCC3(CC3)C2)CC1	723559154	FHMINXPMHLPKMS-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C[C@@](C)(N)CC2CCCCC2)C1	723578499	HHCABPCYZALQTQ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC1CC(C)(C)C1)CC(C)(C)CC	723587459	HCPOAAODTFEAST-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCc2[nH]c3c(CC)cccc3c2C1	822185542	MQHSAIUUNCLLRU-GFCCVEGCSA-N	241.378	4.635	0	10	BJAE	
C[C@H]1CC(NC[C@@H]2CCC=CCCC2)C[C@H](C)C1	1308545294	CLQVFRLSWZNKEM-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H]2CCC=CCCC2)C1	1651660950	JUKZUQZBYMPKST-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC2(CC3CC3)CC2)CC1	1663164874	IEQIQEKNTFHVNZ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(=CCC[C@H](N)C(C)C)CCCC(C)C	1900869898	XXRIBQMGRVDVOB-HNNXBMFYSA-N	225.420	4.523	0	10	BJAE	
C[C@@H]1CC[C@H](c2nc([C@@H]3CC3(C)C)cs2)C1	1901906274	CWKPMOVZLHJJNA-VWYCJHECSA-N	235.396	4.560	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)CCCCC1CC1	1905394190	WQIPGZOXPPRZRB-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@H](N)CCCC(C)(C)C	1907595045	VJBQFNBEILMKKE-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@@H]1CCC=CCCC1	1909579391	SAEIKARCTVMBPJ-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
Cc1ccc(NC[C@@]23CCCC[C@@H]2C3)cc1Cl	1909909886	PGHCRIUMWIOOCB-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1C[C@H]1C1CCCC1	1910661126	MGYMNIPTDCAVKY-LSDHHAIUSA-N	234.383	4.518	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C1C(C)(C)C1(C)C	1912122384	UVQZJZRCHHYBLE-AWEZNQCLSA-N	249.442	4.559	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CCCC2)C1)c1ccsc1	1916420772	BAMCJLDERKUGDV-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
CCNCC(C)(C)CCCCCCC(C)C	1916469433	CYAQBLLVLSZWAQ-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2CCC[C@H]2C)C=CCCC1	1916567597	CGNIQXGMDVCQAQ-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@]1(C2CCCCCC2)C=CCCC1	1916570009	WDFVRZDDCYOLJH-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@@](O)(C[C@H](C)CC(C)C)c1ccc(C)cc1	1919891151	RQCQLRGNCMZFIF-NVXWUHKLSA-N	248.410	4.665	0	10	BJAE	
CCCC[C@](N)(CC)c1ccccc1C1CCC1	1920138743	MPVHURFTVIAHKW-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
CCC(CC)CCNc1cccc(C)c1Cl	1926130646	BDKDHYCCXUQJNX-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CCCCCC[C@H](C[C@H](C)C1CC1)NCCC	1940720800	IUIIKTNYAOXPGQ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCCC1=C(C)c1cccc(N)c1	1940978984	HQQKRUONOLOGEG-ZDUSSCGKSA-N	229.367	4.643	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CCC1=CCCCC1	1941245218	GBEXMKOYOIYKIL-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CC1(C)CCCCC1	1941271247	COFQMFDVGVXIFC-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CCCCCC1CC1	1941597409	RCVLJHQOIFTKIN-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CCCC2(CCCC2)C1	1946455931	RFTFSMYAMJEXOJ-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CCC[C@H]1CC1(C)C	1947516843	WPAJQMWOWIKJDP-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H](NC2CCCCCCCCC2)[C@@H]1C	1947866918	POYKLMVBECEQQC-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)C[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	1948584117	CIIPVONONKCPHK-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C[C@@H](C)CC(C)C)C1	1948982248	MOYHGAKOKHEBGW-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@H](CC)CC(F)F	1949019042	OMZWMOFEQIXEMU-SCRDCRAPSA-N	249.389	4.602	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)[C@H]1CCC2(CCCC2)C1	1949432095	IBCXFGZNCQXUCH-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC(C)(C)C(=O)C1	1949657658	DNITXTQXKHGSSF-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H]1C[C@@H](C(C)(CC)CC)CCC1(C)C	1949663502	XEHBPZPQYUFYCT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CC(=O)CC1CCCC1	1949862558	RKMQQGBVCIJYGO-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@@H]2CCCC[C@H]2C)CC1	1950923819	IRIVXJDBNXIZHJ-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CN)CCC[C@@H](C)CC1	1950924914	OSXAHLWGWIIPCV-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@@H]1CCC[C@H](C)CC1	1950931371	WLSCFSZCGQNQLK-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](NC[C@@H]2CCCCC23CCC3)C1	1967864766	IZSAKJJGYNPYEG-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)CCN(C)Cc1ccc(C(C)C)cc1	1968378355	YKHZUEYLJLAPCR-OAHLLOKOSA-N	247.426	4.678	0	10	BJAE	
CC(C)CC1(CN[C@H]2CCCCC23CCC3)CC1	1971560372	WADUKROTETUZEG-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](O)c1cc(C(F)F)cs1	1977079686	WZBRKPNXCDDFMH-JTQLQIEISA-N	248.338	4.690	0	10	BJAE	
CCC[C@@H](C)C[C@H]1CCCCCCCC1=O	1980319468	RCSJTTITDKKNJG-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
CC(C)CCCC[C@@H](N)c1ccccc1Cl	1980685289	PWAVYMRUXHYIQE-CQSZACIVSA-N	239.790	4.556	0	10	BJAE	
Fc1ccc(CC2CC(=C3CC3)C2)c(Cl)c1	1985536261	GGKGUWZJMANLHV-UHFFFAOYSA-N	236.717	4.522	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)C(C)(C)CC	1989802698	GJGRPKGWKQRIDC-ZFWWWQNUSA-N	228.420	4.780	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCC1(C)C	1990093258	JBKKBZYPXVZXJA-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCCCN([C@@H](C)CC)[C@H](C)CCC(C)C	1990894048	RWQUWWIVYMDGSG-LSDHHAIUSA-N	227.436	4.712	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H](C)CCC	1995262465	NMDZGSAYAJHTHB-ZNMIVQPWSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCC)[C@@H](C)CC	1995264098	UMAMROYWRZRHRY-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H](O)C2(C)CCCCCC2)C1	1996270399	OCGLWNYMTHRVLZ-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)CCC2CC2)c(C)c1	1996362362	NSHSCGRAJOFTAB-AWEZNQCLSA-N	231.383	4.602	0	10	BJAE	
CCC(CC)[C@](O)(CC)C1CCC(C)(C)CC1	1996548701	SHFLJMILYDMYQS-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@H](C)C(C)(C)C)CC1	1996588626	HQILRAAJZIYQRG-NQKKVCCDSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@H]1CCC[C@H](CC)CC1	1997107861	FEBRXIHHUGGGEJ-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)[C@H](NC)[C@H]1CCC[C@@H](CC)CC1	1997113523	BKGFJBKDTKBLEV-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)[C@H]2CCC[C@H]1CC2	1997561176	UAJRCLAZSXLQMK-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCCCc1ccc(NCC(C)(C)F)cc1	1997766356	MWJXKWNWYGXEJB-UHFFFAOYSA-N	237.362	4.579	0	10	BJAE	
CCN[C@H](C[C@H]1CCC=CCCC1)[C@H](C)CC	1999990069	GWTYUURLQIREPP-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCCCCC(=O)c1ccc([C@@H]2C[C@@H]2C)o1	2000190408	MYRGDHPNPBMSLD-NWDGAFQWSA-N	234.339	4.556	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CCCC(C)(C)C	2000294219	PUAWZPDWPCUGEJ-DZGCQCFKSA-N	236.399	4.764	0	10	BJAE	
CCCC[C@](CC)(CN)CC1CC2(CCC2)C1	2000482822	HCBQFOPIDONKSN-HNNXBMFYSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@](C)(CNCC(C)C)C[C@H](C)CC	2000522036	AGVNIGIRPLBBOR-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@H]2CCC[C@H](C)C2)c1	2002998344	KNFNZSHWXAPQIX-NWANDNLSSA-N	231.383	4.622	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@H]1CC[C@H](C)CC1	2003104404	UURQNMSPBWPPBI-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC1(F)CCCCC1	2003111942	PZWMWIFMHAHALQ-CYBMUJFWSA-N	240.362	4.588	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@@H](C)[C@@H](C)CC	2003176599	PQZMEVMBSXMYRR-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(CC(=O)CC(C)(C)C(C)(F)F)CCCC1	2003178374	BOWHWUZYRYLEBR-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
C[C@H](C[C@@H](N)C=C1CCCCC1)CC(C)(C)C	2007938526	YQMKRFUZZDUVKB-UKRRQHHQSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCCC[C@@H]1CNCC	2009610315	FZHGUHXOYBXHRD-BYQDXSGLSA-N	237.431	4.539	0	10	BJAE	
CC=CCCC[C@H](NCCC)C(C)(C)C1CC1	2009616930	NKXOPKHBFXNVPY-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@](CC)(CCCC)CNCC	2009618377	BARKHRYEQGQXSE-MRXNPFEDSA-N	239.447	4.929	0	10	BJAE	
CCCCCC1CC(O)(C=C2CCCCC2)C1	2009715724	IWCLQEHKLCWUTN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H]1C[C@H](C(CC)CC)CC(C)(C)C1	2012040840	FQSLEPVKNUUODD-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCNc1ccc(C(C)(F)F)cc1	2012751060	YVJPMIIPNMVKOY-UHFFFAOYSA-N	241.325	4.646	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC12CCC(CC1)C2	2012835622	YQMZFPQLMAXYTR-PRLABOORSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1CCC2(CCC2)C1	2013271609	UKINBKJZTXHJGR-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)c1sc2ccccc2c1C	2014295161	YFPOWPVOEXIOJF-ZWNOBZJWSA-N	248.391	4.679	0	10	BJAE	
CCCNC[C@@]1(CCC(C)(C)C)CCC1(C)C	2014848331	DQBYIMLARSROGK-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)CC(C(C)C)C(C)C	2015275350	PGJQWSXIMYLQER-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@H](C)C(C)C)cc1	2015282221	TVRZHDIBGWBOAE-XJKSGUPXSA-N	234.383	4.526	0	10	BJAE	
CCCC1(C[C@@H](CCC2CCC2)NC)CCC1	2015640956	YMPBSHOYTPUSKN-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CCCCCC1CC1	2016149562	KQEOAGDSFDAQDZ-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC(F)=C(C)C)cc1	2017470917	SKUDVXRQDNEHMC-GFCCVEGCSA-N	236.330	4.842	0	10	BJAE	
CC(C)CCC[C@@H](C)NC[C@H]1CC[C@H](C)CC1	2017725796	UMTPUGNONONIIT-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C[C@H]2C[C@H]2C)CC1	2017775685	FIZBJNXLHWVIRI-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)CC[C@@]12CCC[C@H]1C2	2018129064	ANGYLWGFHFOOHV-ARFHVFGLSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC2CCC1CC2	2018139492	SFZJRUOMUCDGFG-CKUJCDMFSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CN1C[C@H](C)C[C@@H](C)[C@H]1C	2019192144	SFKOVVBBIUJPBK-FPCVCCKLSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC(C)(C)[C@@H]1N	2020358785	LOXOCWXFTJKHOE-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCN(CC(C)C)C1CCCCCC1	2020506108	LZWBLLOXEWGJHH-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CSc1ccccc1NC[C@H]1C[C@@H]1C(C)(C)C	2022478917	XQZYFQQOUMQUIG-NEPJUHHUSA-N	249.423	4.503	0	10	BJAE	
CCN[C@H]1CC(C)(C)C[C@@H]1CCC(C)(C)CC	2023615195	CVERZQHVOOFVMH-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)C[C@@H]1CCCC(C)(C)C1	2024101852	NSFGJUDPSMVGLD-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC1CC2(CC2)C1	2026166898	NDPCFLDPKYKPCV-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CNCC1(CC2(C)CCCCC2)CCC=CCC1	2027306155	IDGCPMVCCFIKMW-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC1(CCC[C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1	2027831233	GROBEMVBXISQFS-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](c1ccccc1C1CC1)[C@@H](C)CC	2028550288	VCZCWULRNDHIPR-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CCN[C@H](c1ccccc1C1CC1)C(C)(C)CC	2028560362	PPWGSYPTCZQUFQ-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)c1ccc(C2CC2)cc1	2028589713	CBYBZHRCFZMAKV-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H](C=Cc1ccccc1)C(CC)CC	2028590667	LKORUXBWJFLAKR-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](N)(C2CCCCCC2)C1	2030279628	MFACZYKDMBGNCT-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CCNc1ccc2ccccc2c1	2032425737	AQBLPWAODFCFPK-HNNXBMFYSA-N	239.362	4.688	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC[C@H]1CCc2ccccc2N1	2032652774	FSNXOESZLJSZJS-YCPHGPKFSA-N	243.394	4.630	0	10	BJAE	
CC=C[C@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1	2034977209	IEGKZKFHWROQGU-KBPBESRZSA-N	245.410	4.599	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@H]3CCC[C@@H]32)CCCC1	2035884451	APRQINSYVUTVTM-HYVNUMGLSA-N	249.442	4.658	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1	2036668247	UWJHTSVDEYLACT-DZUCGIPZSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H](N2CC[C@@H]2C2CCCCCC2)C1	2037680019	WCGBYUFTLHXHHV-HZPDHXFCSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc(C)c2[nH]c(C(C(C)C)C(C)C)nc12	2038005192	QNHFYGTYTYRVOJ-UHFFFAOYSA-N	244.382	4.575	0	10	BJAE	
CCCc1ccc(N[C@H]2C[C@@H]3CCC[C@@H]3C2)cc1	2038621510	HIRZTPBWSYDWBZ-SCAQPMJSSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@H](CC1(C)CCCCC1)[C@]12CC[C@H]1C2	2039751094	GFVKLOZOMYFQBO-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](N[C@H](C)C1CCC(C)CC1)c1ccco1	2040643101	BQRXUFOWEPWPTO-HXSCFSKGSA-N	249.398	4.535	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)[C@@H]1CC=CCC1	2042025980	ZXEKKKBEGZQZAH-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CNC[C@@]1(C)CC=CCC1)C1CCCCC1	2042071741	JJFCVXPERRXYLU-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NC[C@]2(C)CC=CCC2)C1	2042072507	QGDQAYWXQNNDND-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC[C@](O)(c1ccccc1)[C@@H]1CCCC(C)(C)C1	2045368226	SOMTUVPZDFKINP-WBVHZDCISA-N	246.394	4.501	0	10	BJAE	
CCCC1([C@@H](NC)c2cccc(C)c2C)CCC1	2045731883	CIABPYYOXNPPOI-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@@H]1CCC12CCC2	2047940453	VJMLYWZMUKAOEU-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048374252	RUQCXLOXZVRUHH-QLPKVWCKSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](N)(C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCC1	2048439955	RLZNSIACTUXTJF-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H]1[C@H]2CCCCC[C@H]21)c1ccc(N)cc1	2048494272	WKDBHGZJMZTCQF-VDNDLQMASA-N	243.394	4.589	0	10	BJAE	
CC1([C@H](N)C2[C@H]3CCCCC[C@H]23)CCCCCC1	2049220297	VZZDYZKILJUPPN-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(O)ccc1NC1CCCCCCCC1	2049671906	IEYKBVLGHBVUIZ-UHFFFAOYSA-N	247.382	4.616	0	10	BJAE	
CCC1CCC([C@H](N)C[C@@H]2CCC3(CC3)C2)CC1	2049867238	TVKAHZPQGPBBQS-BHDPWAOGSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)c2cccc(F)c2)CC1	2050495251	RJDZXMRVDYMACB-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CCC1(C)CCC(NC2C[C@H]3CCC[C@@H]3C2)CC1	2051600778	YMVOBQREDFPHGY-LXTOLFJKSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H](N2CCCC[C@@H]2C2CCCC2)C1	2051674474	KFQUAUXGNQAGPX-HZPDHXFCSA-N	249.442	4.610	0	10	BJAE	
CC1(CN[C@@H]2C[C@@H]3CCC[C@@H]32)CCCCCCC1	2052506764	ZUKTZCARFNCIFB-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCCC23CCCCC3)CCC1	2055549291	JLPQVOWGDVRVFZ-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC1=C(C)[C@](O)(C[C@H]2CC23CCCCC3)CCC1	2055610685	IPABWMUVRFOKSZ-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(C)(CN[C@H]2CCC3(CCC3)C2)CC1	2056536241	BJZOCFDMNXHUKB-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC2CC(C(C)C)C2)C1	2056665392	CGHSMKWZYVLLCR-MFNGEMCRSA-N	248.410	4.620	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2CC[C@H]3C[C@H]3C2)C1	2059497864	SAYMBFPOIRUPNF-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC=C([C@@]2(N)CCCC[C@@H]2C(C)(C)C)CC1	2060914654	UEQSRVVZOAFSOK-UNEWFSDZSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)[C@@](O)(C2=CC[C@@H](C(C)C)CC2)CCC1	2061083756	FJYVSWIZMSWSMU-NVXWUHKLSA-N	248.410	4.620	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@]2(N)C=CCCCC2)CC1	2061112933	KFLUNAYUZNOVAX-WMLDXEAASA-N	247.426	4.587	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)C1(C)CC(C)C1	2061146771	JSSVMTKODMNGPJ-GULBITTBSA-N	249.442	4.537	0	10	BJAE	
CNCC1(CC[C@@]23CCC[C@@H]2C3)CCCCCC1	2061610514	AMOHNIWAFXRRLT-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CN([C@H]1CCCCCC12CC2)[C@@H]1CCC(C)(C)C1	2062192328	BVPRIMGZVGSFAH-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
C[C@H]1C[C@H]1CCCOc1cccc2ccccc12	2062620897	QTYXTZBPLABJHH-DZGCQCFKSA-N	240.346	4.655	0	10	BJAE	
CC1(C)CC2(CC(C[C@@]3(C)CCCCCN3)C2)C1	2063207668	JBMCBITYZRDMDB-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068778165	HZBAQINBFVGOJP-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CCC(=O)c2cccc(C)c2)CCC1	2069281112	SQCZPTJYEOLTDF-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
CC1(CNC2(CC3CCC3)CC2)CCCCCC1	2069586782	INVQKBNRZXSPKV-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC1CC2(CCCCC2)C1	2070399796	SPBAXYUHCBXNMX-OAHLLOKOSA-N	249.442	4.824	0	10	BJAE	
CC(C)C1(C[C@H]2CCc3ccccc3N2)CCC1	2071944882	BCRQZNMLSDMIFI-OAHLLOKOSA-N	243.394	4.630	0	10	BJAE	
CC(C)=C(C)CNC[C@@H]1C[C@@H]2CCCCCC[C@H]21	2072410726	FESIDNAOGNNWHK-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC[C@H](Cn2ccc3ccc(F)cc32)CC1	2072877139	DQJYMIRKJNRNDE-JOCQHMNTSA-N	245.341	4.607	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@H]1[C@@H]1CCCC2(CC2)C1	2073796404	YPOAVGGZOZBXAQ-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@]12CCCC[C@H]1C2	2074025795	QNNSZNUVFQQVBW-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1OC[C@@]12CCCC[C@@H]1C2	2074094728	NKWXDLWMDMBCAV-WBVHZDCISA-N	244.378	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@@]23CCCC[C@@H]2C3)C1	2074114439	RQGHDWFERMOHHN-JYYAWHABSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)c1ccccc1	2074643384	DYULYFSWLRTVMZ-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CC[C@H](Nc1ccccc1C1CCC1)C1CCC1	2077262066	LBXBOEULVIQIDC-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccccc2C2CC2)o1	2077262086	LPGJFOSXOLRUHO-LBPRGKRZSA-N	241.334	4.639	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CC[C@@H]3CCC[C@H]32)c1	2077265658	YYJPLUHDIUMQLZ-XGWLTEMNSA-N	241.378	4.555	0	10	BJAE	
CCc1cc(NC[C@@H]2C[C@@H]2C(C)(C)C)ccc1C	2079617778	BIQCXYBPBGXDCI-HOCLYGCPSA-N	245.410	4.652	0	10	BJAE	
CC(=C[C@H]1C[C@@H]1C1CCCCCC1)CCCCN	2079699503	DFSHJARUGJZMBH-DLBZAZTESA-N	249.442	4.668	0	10	BJAE	
N[C@@H](CCC1CCC1)[C@@H]1C[C@@H]1C1CCCCCC1	2079817275	CSSAXJYDNZZPSM-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C1CC2(C1)CC(C)(C)C2	2079851162	JUFSKRWCWXWKNM-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](NCCC)c1cc(C)cc(C)c1C	2082919556	QVKZIBQSZKAWMT-QGZVFWFLSA-N	247.426	4.843	0	10	BJAE	
CCCC[C@H](CC)N(C)Cc1cccc(C)c1C	2082956301	RGXBXYGJMDWOSU-KRWDZBQOSA-N	247.426	4.704	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2CCC[C@@H]3C[C@H]32)C1	2082983071	PJTDIVFFRGPNSI-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)[C@@H]2CCC23CCC3)C1	2082983753	VJATVNFZHNCHTM-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc2[nH]c(C3CC(F)(F)C3)cc2c1	2083313624	CYIRZIAKOGPTFZ-UHFFFAOYSA-N	249.304	4.804	0	10	BJAE	
C[C@@H](C(=O)CC1C2(CCC2)C12CCC2)C(C)(C)C	2083534232	WJCXNDZVZJBXOJ-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC)CCCCCCCC1CC1	2210525935	XEBLYIWYXZJUHL-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
C/C=C/CCCNc1cc(C)c(Cl)cc1F	2210739123	TXQYCSSRWCDOMS-ONEGZZNKSA-N	241.737	4.556	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CC(C)(C)C	2211376644	KGWIBVHTOLTLHS-UHFFFAOYSA-N	235.758	4.649	0	10	BJAE	
CC(C)CCC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213278975	ASWRMORKDZUJCM-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCCCC[C@]1(O)CCCCC1CC1	2214582502	PKKKATCHLWSYLP-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC1CCC(C(=O)CC[C@@H]2C[C@@H]2C)CC1	2215345631	LAZBLOIUMMHJFN-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@@H]1CCCC[C@H]1CC	2215356298	CHLRTNPRIBUJQM-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC1(C)CC2(CCC2)C1	2215395720	ZVMHYRHFNFKWKJ-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1(C)CC2(CCC2)C1	2215442088	MHXMVLKRSFSOCN-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@](CC)(CN[C@@H](C)CC)C1CCC1	2217152583	GASZCTIHJRTUAO-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NCC(CC)(CC)CCC(C)(F)F	2217155476	CMLJZSXZNPBUQV-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
C[C@@](N)(CCC1CC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218357904	SXEDXQOANLUQSS-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(NC2CC(CC3CC3)C2)ccc1C	2218480308	PITDOPOUHIPYTH-UHFFFAOYSA-N	243.394	4.548	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)CC1=CCCCC1	2220932880	OQOAMSKUKGDVGF-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2220961200	PAKTWPBSQUCGQU-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2(C)CC3(CCC3)C2)C1	2221073434	URKIJNBOJZTJPQ-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@](C)(CN(C)CCCCC2CC2)CC1	2221596534	CQWNZQXGBKQBEX-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CC2CCC(C)CC2)CC1	2221630916	LAAGKXNAIALWGO-BNICSPFPSA-N	249.442	4.667	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2[C@@H](C)CCC[C@H]2C)CC1	2221642279	CZYWTFBLVQXKCP-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@@](N)(C[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCC1	2222983729	ZLWVMNSNXNIXLZ-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC1(CNC2CCC2)CCCC1	2223550100	LOAKCVFKMBDNAW-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(CNC3CCC3)CCC2)C1	2223590220	VMTQMNNTBKNJRR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@](CCC1CCCC1)(CNC1CCC1)C1CC1	2223594937	AUBSXZGOCRXOOL-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CCC[C@H]2C)C=CCCC1	2223603213	XHWVPVQFLASRBZ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)C[C@H](C)CC(C)C)cc1	2223965543	KPVQNGHVLOVSEF-CABCVRRESA-N	246.394	4.740	0	10	BJAE	
CCC[C@@H](CC)CNc1cc(Cl)ccc1C	2244800247	FZDYVNTYLUBWAO-GFCCVEGCSA-N	239.790	4.887	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCC2(O)CCCCC2)C1	2246729447	BVXHBRWJRQNENE-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)[C@H](CCCC[C@@H]1C[C@H]1C)NCC	2247162956	DPOZSSQCRSEHEJ-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CC1=CCCCC1)C(=O)O	2247517532	HAHSUNDXEILWQG-OAHLLOKOSA-N	238.371	4.548	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)CCCCC[C@H]1C[C@H]1C	2248819299	IYTOYOXVCIYHFG-FXUDXRNXSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1CC(C)(C)CC[C@H]1C	2250382441	DSKQZYKRYRASFO-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(N)CCCC[C@@H]1C1CC1	2254599262	UKJOVWVNKVSHNO-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
FC1(F)C[C@@H]1c1ccc(CC2=CCCCC2)cc1	2255129534	NEGCRJAJFHAILZ-OAHLLOKOSA-N	248.316	4.852	0	10	BJAE	
CCCc1ccc([C@H](O)CC(C)(C)C(C)C)cc1	2256316539	CWUXWXCWSMFNMR-MRXNPFEDSA-N	248.410	4.745	0	10	BJAE	
C[C@H](Nc1ccccc1C1CC1)[C@H]1CC12CCC2	2256443422	OFRJMWIOQQIVOM-SWLSCSKDSA-N	241.378	4.555	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1CCC2(CC2)C1	2257317104	VRUOSJLRDREVFP-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@](N)(C1CCC1)C1CC1	2257362766	UPLGLRWGYHHWLL-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CN(C[C@H]1CCCC(C)(C)C1)C1CCC=CCC1	2257940714	QNFMMZYDGNJYFA-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccc(CC(C)C)cc1	2259473616	UTOSUBNGSSLVMV-DOTOQJQBSA-N	247.426	4.711	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@]12CCCC[C@@H]1CC2	2260513675	VWBNHRROEAZYJN-WBVHZDCISA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](C[C@@]12CCCC[C@H]1CC2)C1(C)CC1	2260584287	UREUUSQZHRDTDN-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC([C@@H](N)C2=CCCCCC2)C1	2261182609	SVECOWHIZUXKEI-BCLQGDPASA-N	249.442	4.667	0	10	BJAE	
C[C@@H](C[C@@H]1CCNc2ccc(F)cc21)C(C)(C)C	2261340790	XNJQKXXWVSZWLG-RYUDHWBXSA-N	249.373	4.797	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](N[C@H]2CCC23CCC3)C1	2261400000	FZVAEARQRWZPFV-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)C[C@@]12CCC[C@@H]1C2	2297876424	NDLQKPAUZSZHEM-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C(=O)C(CC1CC1)CC1CC1	2298880092	ZGMWCTTZQNHLAX-AWEZNQCLSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@](C)(CC)C(F)F	2299838144	JYZXWNUUOUSIMF-BXUZGUMPSA-N	248.357	4.843	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@H]1CC12CCCC2	2300497520	UQBGEKXKGKYKGS-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CCC[C@H]1C(C)C	2300684128	QQHJJTLUDBWWDI-XHSDSOJGSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCC(F)(F)CC1	2300684215	RPVRVNSEIIKESE-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@]12CCCC[C@H]1CC2	2300684537	VQJFFCPZXRXTCK-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)=CC[C@@H](NC)C1(C(C)(C)C)CCC1	2300878023	XAEGMYPLEUEXSF-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@]1(N)CCCC12CCCCC2	2300901905	OQCOMLDYNWXHEY-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@@H]1CC=C(C)CC	2300925572	DMAAZNNQPNDBQE-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCc1ccc(F)cc1C(F)(F)F	2300930048	VZOCPSAHLSMUNZ-UHFFFAOYSA-N	246.247	4.743	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)[C@H](C)C(C)C	2301830272	WGPVEBGUBLIBLM-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H]([C@H](C)CC(C)C)[C@H](C)[C@H](C)C(C)C	2301836535	NFFWXTDODYZODE-KLHDSHLOSA-N	241.463	4.575	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@@H](C)[C@H](C)C(C)C	2301864372	NDCUOWMWALLWHY-CABCVRRESA-N	242.447	4.738	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)CCC1=CCCCC1	2301921014	JXUWBJJRFFSPQA-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CCCNC[C@H](CC(C)C)[C@H](C)[C@H](C)C(C)C	2301958688	MWTFSIYGYYATJI-OAGGEKHMSA-N	241.463	4.577	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CC(C)(C)[C@H]1C	2302080457	RHHKFXBPIPBPFY-SWLSCSKDSA-N	231.383	4.657	0	10	BJAE	
CCCC1([C@@H](O)CCCC2=CCCCC2)CC1	2302337518	YIAFYFPLSRMNAT-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@H]1CCC[C@H]1N	2302505937	CRMRGFUWHZDMQR-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@](C)(N)CC(C)(C)C)CC1	2303521934	KBMIIOHARRFJCV-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC1=C(C)C[C@@](N)(C[C@H](C)CC(C)(C)C)CC1	2303586104	ZYLWXICJQNNTIZ-WBMJQRKESA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC[C@@H](C)[C@@H]1NCC	2307902603	LWDLPBVFIKCDFD-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H]1CCC[C@@H](C)C1	2307909928	MDXLIDXZXLNACY-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC1CC(CC(=O)[C@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309180880	MSBCOAKKWAVOAW-XJCPWDRGSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C[C@H]1CCC[C@@H]2C[C@H]12	2309963036	QZXZIMQGFMNJKM-KCYZZUKISA-N	246.394	4.518	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]2C2CCC2)CC1	2311478682	VKHSRVSMOTXKIA-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](NCC[C@@H]1C[C@@H]1CC)c1ccccc1	2312467130	WGKFFQPCRXXEBK-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2	2312899814	NXEOFULVQATUPL-DDBYYKKRSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)CCC1	2313330329	ICTVTDVYAOVDDO-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@H](O)CCCc1ccccc1	2316247279	CCTAWQIZQCUMOH-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
CC(=CC[C@H](N)[C@@]12CCC[C@@H]1C2)CCCC(C)C	2316501396	DWUWMHUTCNOCKN-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
N[C@@]1(CC2CCCCCC2)C=CCC2(CCC2)C1	2316874183	KDHGXQZBZCWACT-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@@H]2C[C@H]2C1	2317929624	ZUUMRFJLOKLCMF-MBNYWOFBSA-N	247.357	4.550	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)CC[C@H]2CC[C@H]1C2	2318552248	WRMJJEWDRMIJJV-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H]1CC[C@@H]1C(C)(C)C	2320101980	GDMNEACVTSFRJR-JYJNAYRXSA-N	249.442	4.559	0	10	BJAE	
Cc1ccc(N(C)C[C@@H]2CC[C@H]2C(C)(C)C)cc1	2320302966	MSXIVMLPYJJCII-GOEBONIOSA-N	245.410	4.504	0	10	BJAE	
CC1=C(C)C[C@H](COc2ccc(F)cc2C)CC1	2320348235	OOUQHYQXRFIUOO-CQSZACIVSA-N	248.341	4.649	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@@H]3CCC[C@H]32)CC1	2320398412	RAPJIPOCZPJZNZ-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCC(C)(C)C2)CC1	2320419063	GMNCIDQHQLOXCD-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CCN[C@@H](CCC1CC1)C[C@H]1CCC(C)=C(C)C1	2320424087	PZUWZBRPCYXEPV-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CNCCC1=CC[C@H]1CCC(C)(C)C1	2321634624	UCUVKOGNAUJYPD-GOEBONIOSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CC=CCC2)c1F	2327781083	HLXJOYJMBRPPFQ-ZDUSSCGKSA-N	247.357	4.717	0	10	BJAE	
CCCc1ccc([C@@H](N)C[C@H](CC)CCC)cc1	2328276529	RBOUAFSTYZSCNS-PBHICJAKSA-N	247.426	4.855	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)CCCc1ccccc1	2328281633	IYDQPPGCAZWIQY-RDJZCZTQSA-N	247.426	4.553	0	10	BJAE	
CCCCCC[C@H](C)Nc1cc(F)cc(F)c1	20520110	VGNCLGVOJNAAJW-NSHDSACASA-N	241.325	4.736	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@H]1NC1CCCCC1	20546139	HJQOBIXGEVVBTG-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCC[C@@H]2C)c1	21011231	IMFKVWVVPAZCNS-BBRMVZONSA-N	231.383	4.801	0	10	BJAE	
CCC1CCC(N[C@H](C)CCCC(C)C)CC1	21812837	VRUYKRVZMOXMSQ-QQFBHYJXSA-N	239.447	4.760	0	10	BJAE	
CCN[C@H](c1ccc(CC(C)C)cc1)[C@@H](C)CC	35510594	DGBHRDFIBZGCIZ-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](C)C2CCCCC2)c1	37245528	MFPCFLGCLBKFGW-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H]1CCCc2ccccc21	63157205	JBHAVFPMEOENKI-CJNGLKHVSA-N	244.378	4.502	0	10	BJAE	
C[C@H]1CC[C@@H](N[C@@H](c2ccccc2)C(C)(C)C)C1	80434164	OCCUONZXDWQSHM-IMJJTQAJSA-N	245.410	4.552	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@H](C)[C@H](C)C2)cc1	84982497	OUCAYQOPJZTKOZ-JJRVBVJISA-N	245.410	4.876	0	10	BJAE	
CCN[C@H](CCC(C)C)C1CCC(CC)CC1	85080159	RUQNMQBTLPZIQX-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)C(C)(C)C	87174811	RMZOTTLWNHTVCJ-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](CC(C)C)NC	87522081	XGOFSDLCVGZSFM-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H]1c2cc(C(C)C)ccc2[C@@H](C)[C@@H]1C	94065374	YUELGPPLGSVAET-DCGLDWPTSA-N	245.410	4.604	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)C1(C)CCCC1	94900993	RFIJZGHWFRICIL-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1CCCC1(C)C	94984621	LQJVQHVDOAQSEK-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc([C@H](CC)N[C@@H](CC)C(C)C)cc1	103973004	OJSKUKUUAIIAJO-IRXDYDNUSA-N	247.426	4.724	0	10	BJAE	
Cc1cc(C)c([C@H](N)C[C@H](C)C(C)(C)C)c(C)c1	111646995	WMVPBAFDCCPBTO-LSDHHAIUSA-N	247.426	4.684	0	10	BJAE	
CCCCC[C@H](NCC)C(CCC)CCC	125420438	WMKMLFZGGGKVIM-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1sccc1Cl	132981429	OQROKBWZFWXDNH-LLVKDONJSA-N	246.803	4.651	0	10	BJAE	
CCCC(CCC)[C@H](CCCC(C)C)NC	133467822	FBKDEBDPXYHAPJ-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@@H](NC)c1sccc1Cl	133723726	XNFVEAGBKHUDLP-LLVKDONJSA-N	245.819	4.632	0	10	BJAE	
CCCCCC(C)(C)c1ccc(O)c(C)c1	143454733	HEJMZFCLMXZHMH-UHFFFAOYSA-N	220.356	4.559	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)C1CCCCCC1	149460090	SLKGUWWXAGFOCS-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@H](C2CCCCCC2)C1	150031861	FSEXUIHIGOAPFO-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCC(C)(C)C[C@H]2C)c1	155851814	XRIMDGRSXJXYRR-OCCSQVGLSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@H](C)c1cccc(C)c1	160158872	HSNJSOITKHCJKG-FRFSOERESA-N	247.426	4.860	0	10	BJAE	
CCc1ccccc1C(=O)C1CCC(CC)CC1	166187367	FVLGPNXVGGOAHN-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCNC[C@@H](CCCCC(C)C)c1ccccc1	166352462	RIXIVCHPXKDSEG-QGZVFWFLSA-N	247.426	4.596	0	10	BJAE	
CCCCC[C@H](O)C1(CC(C)C)CCCC1	168418450	PYBGAOVYNQOUGY-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@H]1CCC[C@H](CC)C1	169190178	LJVJPPCDOOVUIZ-CWRNSKLLSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@H](N[C@H]1CCC[C@@H](C)C1)c1ccccc1	216407831	UIRDNLOTVDXAAY-PVAVHDDUSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](CC)COc1ccc(C)c(F)c1	226438978	QAWJLYLQNVJTKN-ZDUSSCGKSA-N	238.346	4.729	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@H]1CCC[C@@H]1C	226825208	XEOUAJYAGTZUKI-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C(CC)CC	228691875	MRDDISISBXKZIB-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CSc1ccccc1C(=O)C1CCCCCC1	229435201	LSNYCWJMVGFAJZ-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCCC(C)C	229450203	MVRBSSZSKRIQMP-ZDUSSCGKSA-N	212.377	4.598	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H](C)CCC(C)C)c1	232229376	OJDXLSARUIJVJG-LBPRGKRZSA-N	239.790	4.885	0	10	BJAE	
CCCCCC[C@@H](NCC)c1c(C)cccc1C	232967538	KEZIJAXYQXURNP-MRXNPFEDSA-N	247.426	4.924	0	10	BJAE	
CCCN[C@@H](c1cscc1C)[C@H](C)CCC	233180450	FFAMSYRRUBGPIX-BXUZGUMPSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1ccc(Cl)cc1C	233331892	XOZSFBFGBQUENK-HZMBPMFUSA-N	240.774	4.508	0	10	BJAE	
Cc1csc2c(Cl)c(Cl)ccc12	238554574	LAJYEVXFVSNMIL-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CCCC[C@H]1CC	252606537	QQXFYOJGQSDFLL-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2CCC23CCCCC3)CC1	300574503	NVUHVUWUXZUERF-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CCCC(C)(C)C	300912938	SGFZOLCUFXCTEH-ZIAGYGMSSA-N	228.420	4.780	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@@H]1CCC1CCCC1	305977804	QWDBHSJTMZBUDL-CZUORRHYSA-N	243.394	4.630	0	10	BJAE	
CCOc1cc2cc(Cl)sc2cc1Cl	307422962	NHFMGQZOXUANNU-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)c1sccc1C	307998755	NFYFVUFOYSEGJT-STQMWFEESA-N	240.412	4.552	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)c1ccsc1C	308060135	ROYFXVVRVYMDKY-OCCSQVGLSA-N	239.428	4.519	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](CC1(C)CCCC1)NC	308071959	SDYPPKLOOCCFDO-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C/C=C(/C)[C@@H](CCCC)Nc1ccccc1	309049031	ZVYBDPMKGLATIN-KSKAUBAUSA-N	217.356	4.624	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1CCC[C@@H](C)C1	310471686	BNIVXHYAXDYLNJ-ILXRZTDVSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CCC)CCCC1(C)CCCC1	310490396	FTTNRXMVQHCHIR-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@H](c1ccccc1)C(C)(C)C(C)(C)C	311073680	MRIZPKPKIZHTPP-OAHLLOKOSA-N	247.426	4.800	0	10	BJAE	
CCC[C@@H](Nc1ccccc1F)C1CCCC1	313399471	RNQAJVQRQVOEPB-CQSZACIVSA-N	235.346	4.597	0	10	BJAE	
CC[C@@H]1CC[C@](CNC)([C@H]2C=CCCCCC2)C1	317552568	MFGWVGPKUVXZOA-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@]1(CNC(C)(C)C)CC[C@@H](C)C1	318058543	SNPKAWRNUUVTJO-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H](C)n1ccc2c(Cl)cccc21	319561084	FVXVFSCLTOAGQX-JTQLQIEISA-N	221.731	4.512	0	10	BJAE	
CC[C@H](C)C1(CNCC(C)C)CCCCCC1	319784139	VPCYNVCXLSVXEG-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](Nc1ccccc1C(C)C)C1CCC1	322255839	FMDQFQKKVFLYIW-HNNXBMFYSA-N	231.383	4.801	0	10	BJAE	
O=C(CCC/C=C\c1ccccc1)C1CCCC1	322938788	PADBSGSKFSDVTJ-WZUFQYTHSA-N	242.362	4.629	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@H](C)CCC	379763846	GHSXIAXPTQOLFX-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](N[C@@H](CC)C1CCCC1)C1CCCC1	382774888	BDVAITOWSXPMPF-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)CC(=O)CCCCCC(C)C	383155316	OZUHXKQGUAOEMP-ZDUSSCGKSA-N	212.377	4.598	0	10	BJAE	
CC[C@@H](C)C[C@H](O)c1ccc2ccccc2c1C	384370204	HWUICWSDTVDEFA-PXAZEXFGSA-N	242.362	4.618	0	10	BJAE	
CCCc1ccccc1[C@H](N)C1CCCCCC1	384641493	LQJOPISQIOPXDY-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1cc(Cl)ccc1F	384663897	WNTPTRILBBUPPI-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)c1sccc1C	385845764	WQPXTGKNJPQLEU-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@@H]1CCCC1(C)C	385872569	JNGZYSOVMWZZPE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@H](O)CCC2=CCCCC2)cc1C	386273873	MSLSVPHOXQAPKW-QGZVFWFLSA-N	244.378	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1ccc2sccc2c1	386643891	OWBPPRDDBMTLEB-NHYWBVRUSA-N	248.391	4.617	0	10	BJAE	
CCCN[C@H](c1ccccc1C)C1(CCC)CC1	393980340	YZJZFRAVQQXNMS-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)c1ccsc1	394229508	LJVFFKQMXSWKLX-OCCSQVGLSA-N	240.412	4.562	0	10	BJAE	
Clc1sccc1N[C@@H]1CCCC12CCC2	394768589	KMUOVOQNVKRFFG-SNVBAGLBSA-N	241.787	4.536	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)[C@H](C)C1CC1	395055905	DQGUMVMASJHPDD-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]([C@@H](N)c1cccc(C2CCC2)c1)C(C)(C)C	399051387	IEJBMGVDPKYNRC-BLLLJJGKSA-N	245.410	4.636	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)[C@H](C)C(C)(C)C)c1C	399219649	YCBDHDBXXNKGAA-HOCLYGCPSA-N	247.426	4.602	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1)[C@H](C)C(C)(C)C	399224162	ZVTIMNYCZWJALE-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
CC(C)c1ccccc1-c1cccc([C@@H](C)O)c1	404732657	CWYWFBHKICELMB-CYBMUJFWSA-N	240.346	4.530	0	10	BJAE	
O=C(CCCC1CC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	405765530	XTHKYVHNHYSLAN-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCC1(CN[C@@H](c2ccccc2)C(C)(C)C)CC1	687538379	FTVMFWMVNALCAE-HNNXBMFYSA-N	245.410	4.554	0	10	BJAE	
CCCC1(CNc2cccc3ccsc23)CC1	687541879	YSFVYRPPAKQMJT-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
CC1(C)CC([C@H](N)C2=CCCCC2)CC(C)(C)C1	688285919	YDMRFTPJAGNKKK-OAHLLOKOSA-N	249.442	4.667	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H]1CCC1(C)C	690189375	PCEVKWPFHLUZIW-HNNXBMFYSA-N	245.410	4.720	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)C(F)(F)CC	692364774	PQCPIGMXNDVJQF-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
C1CCCC(CCNC[C@@]23CCCC[C@@H]2C3)CC1	693552814	ZZTBXZYMQYOQHG-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H]1CCC12CCCCC2	693805000	MKHYXVXELSMIKT-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1CCCC12CCC2	694710186	QLJMRUIZNJRINS-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@H]2C2CC2)cc1F	696104665	LZEUXOSMVDMGLR-HOCLYGCPSA-N	247.357	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](CCC1CCCCC1)NC	696249548	NBVVNDAICBTYTN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)C[C@@H]1CCC(C)(C)CC	696799027	INGHZRUUSLNVKA-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](CN)[C@H](CCC(C)(C)CC)C1	696806985	RBEJICJYHMNGEK-RBSFLKMASA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCC[C@@H](C(C)C)C1	696807656	SYVNVZNETIFUQL-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCCCC12CCCC2	701117262	XHBJSMYOMHMAAS-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(CC)C(=O)C1CCC(C(C)C)CC1	701275044	GQCRXCRNYDIJPV-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
C[C@@](N)(CCC1CCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2	704443874	UPQPMRYUUCYGNG-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)CCC(C)C	704833763	UAXDCQJCBVDATP-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@@H]2CCC[C@H]21	707834068	JPUPRLBGKSWUCR-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CC[C@@H]3CCC[C@H]32)c1	707855619	DHIZVPSRIJBPRJ-OUCADQQQSA-N	249.785	4.639	0	10	BJAE	
Cc1cccc([C@H](CO)C[C@H](C)CC(C)(C)C)c1	709107887	ZMIDBTMBSCNXNH-HOCLYGCPSA-N	248.410	4.533	0	10	BJAE	
CSc1ccc(N[C@@H](C)CC2CCCC2)cc1	709769731	TYDUEMKDOCGPEL-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
C[C@@H](CC(=O)c1cscc1Cl)C(C)(C)C	710430311	APPKCKUMBZDFAH-QMMMGPOBSA-N	244.787	4.657	0	10	BJAE	
CCNC[C@@H](CC(C)(C)CC)c1ccc(C)cc1	713266034	IRQLEXXHTYHBIW-MRXNPFEDSA-N	247.426	4.514	0	10	BJAE	
C=C/C=C/CC[C@@H](NC)C1CCC(C(C)C)CC1	713737866	ANDVMQYQFOCIPT-LQJDWPSLSA-N	249.442	4.559	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC[C@H]1C[C@H]1C1CC1	714863046	ALBCCLBFAVDUJR-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](CCC(C)=C(C)C)NC	718509607	WMTKSEHGCKTCPU-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1CCCC[C@@H]1C	718532065	IZAMWZZDUSXZFF-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1csc(Cl)c1	718655412	XSSWZPOTYAEMCI-LLVKDONJSA-N	243.803	4.538	0	10	BJAE	
CC(F)(F)CCCC(=O)C1CCC(C)(C)CC1	718714679	XNFXLYOOZRYFFL-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC(C)(C)CCCN[C@H]1CCCCCC1(C)C	719220850	AIYSWLBZCBBKKW-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CCC[C@H]1C	720990148	OJCAYSYBGCJYBS-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1C[C@@H]1C)NCCC	722691743	BNRBIEQWZHIGGH-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)SCc1cc(C)cc(C)c1	1472999786	DTCVNCXIHPUBMR-KBPBESRZSA-N	236.424	4.971	0	10	BJAE	
CCC[C@](N)(CCC(CC)CC)C1CCC1	1900711878	FZEYQCYVVVGIPL-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC1CCCCCC1	1901056130	VJGYYGQBSFCPAG-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
FC(F)(F)CCCCCC1=CCCC1	1901372248	RQBRGOVFHJPIFL-UHFFFAOYSA-N	206.251	4.610	0	10	BJAE	
Cc1ccc(O[C@H](C)[C@@H](C)C(C)C)c(Cl)c1	1901681976	JPZREGJXGOXMTP-NWDGAFQWSA-N	240.774	4.708	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H](CCC)C(C)C	1905453924	NONMDXJKWZSNKN-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H](CCC)C(C)C	1905453925	NONMDXJKWZSNKN-ZNMIVQPWSA-N	228.420	4.636	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)CCC1CCCCC1	1910808607	YVCMYTHLNIRHKM-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H]1C[C@@H]1C(C)(C)C	1912036569	KFFDOBZWFPVBGJ-JYJNAYRXSA-N	249.442	4.559	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](N)(CC(C)C)c1ccccc1	1920484099	LCZULPKCVVFJJH-WBVHZDCISA-N	247.426	4.569	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@H]2C=CCCCC2)CC1	1925946534	UMYFVDKQQQIAKF-XGHPGWEVSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)CC(=O)c1cccc(C2CCC2)c1	1926144749	MJLFFPBMEWAFDY-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCC(CC)CCNCC(C)(C)C1=CCCC1	1926198490	XYQUQTYAISHTAV-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)C[C@H](N)c1cc(C)c(Cl)s1	1926372350	PXEJBVKWXJJIFB-JTQLQIEISA-N	245.819	4.536	0	10	BJAE	
C[C@H](CC[C@@H]1C=CCCC1)CC(F)(F)F	1932599361	UAFIJDJKODIGIK-GHMZBOCLSA-N	220.278	4.711	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1csc(Cl)c1	1933555946	BRNKKQCPQHJVBC-SECBINFHSA-N	244.787	4.801	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1ccc(Cl)s1	1933714611	SICAHEBVCLONLH-LLVKDONJSA-N	245.819	4.618	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)CC1CCCCC1	1940278393	BIYVAYSWRNNQFB-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](NCC)C1(C)C(C)(C)C1(C)C	1940282973	RXGBFGJCUPFMRV-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2CCCC2(C)C)CCCCC1	1940409700	PJMICNZFNQFFCC-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@](C)(O)C1CCC(C(C)(C)C)CC1	1941144976	TVLKLMMHOUQDBM-ZBCRRDGASA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)CCC1CCCC1	1941244427	WMDYRHRTQVQLTK-HZPDHXFCSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H](CC(C)C)C(C)C	1941266824	KDBQANYOVJQQCS-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@H](CC(C)C)C(C)C	1941267630	VBZFVFKUMPPAFZ-HZPDHXFCSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCCC2CCC2)CC1	1941469901	JPLGXMCBIWAXMX-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)C(=O)c1ccccc1CC(C)C	1941849278	YIZOCTUCEZLTFF-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CC(C)(C(=O)CCC1CCCC1)C1CCCC1	1944635928	VRYXSBDHLGLBOY-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@H]1CCC[C@@H]1C	1944849224	KVPCNSSCQVWDBY-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC(C)(C)C1)[C@H](C)CCC	1945593379	QFWYERFXEQEKRC-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCN[C@H]1CCC[C@H]1C(C)C	1947464202	QPOYBBLCMMNYGZ-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cccc(CC)c1	1947468787	ZSHKNMFXJKOJHH-GDBMZVCRSA-N	231.383	4.630	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCC1)c1cccs1	1947591734	GGEVAQWSAHLUIO-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CCCN[C@@H](CCC(F)(F)CC)CC(C)(C)C	1947882662	DIIGXCVUDMTWEW-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H](CCC)CCCC[C@@H]1CC1(C)C	1948849080	QOSSUZHOAQCRKR-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@H](C)CC(C)(C)C	1949017733	LPUIASZCVJTCBU-KBPBESRZSA-N	241.463	4.993	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(C[C@@H]2C[C@H]2CC)CC1	1949026550	LCEBIDHTWFGKPM-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)C2CCCCCCC2)C1	1949423607	YSMFJTUVYBQJML-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](NC[C@@H]1CCC(C)(C)C1)c1ccccc1	1963312943	CHZNPOGKRVBWQJ-GDBMZVCRSA-N	245.410	4.554	0	10	BJAE	
Clc1cccc(NCC2CCC3(CC2)CC3)c1	1968260291	PDVPWJCUIKQHRG-UHFFFAOYSA-N	249.785	4.722	0	10	BJAE	
C[C@H]1CCC[C@@H](CNc2ccccc2C2CC2)C1	1969416600	JSJATPUUEXIYSO-UONOGXRCSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN2CCC23CCCCC3)C1	1969769286	FQIPOVOZGWYHLY-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCC1(CC)CC(NCC(C)(C)CC(C)C)C1	1971515166	YXVOMMVJKGZUOV-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CN[C@H]2CCCCC23CC3)CC1	1972741583	FBEHVBAOJJVFKJ-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@H]1CCN[C@@H]1CCCC12CCCCC2	1973005021	ZPPUIXWNSJKDML-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)CN[C@@H](CC)c1ccccc1	1973173822	VZLZRCCAAGTHCM-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CCC[C@H](C)CC1(O)CCCCCCCC1	1980349844	BFBQUYFEXLSCOU-AWEZNQCLSA-N	226.404	4.678	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C(CC)CC	1984630371	QJMUAQYVZDPGQU-BOSPYUDASA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CNCCCCCCC(C)C	1989619474	MWIRJLXJUUSYMK-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CC(C)(C)c1nc(C2CCCCCC2)cs1	1995497767	FPMWSTMFLMDDNV-UHFFFAOYSA-N	237.412	4.878	0	10	BJAE	
CCC1CCC(N[C@]2(C)CCCC[C@H]2C)CC1	1995644357	CYUFZGFKKONQEN-PRLABOORSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCCCN(C[C@@H](C)C(C)(C)C)C1	1995748632	QOGCTEUONRGGHN-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CC(C)=C(C)CCN1CCC[C@H]1c1cccs1	1995751740	MWSMWXOOGFLKST-AWEZNQCLSA-N	249.423	4.631	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1CCC=CCCC1	2000001029	HWSFZOLIEFXLTJ-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CC(C)=CCCC1(N)CC2(CCCCCC2)C1	2000671399	WBSRSMZQNSXFID-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)CN[C@H](C)[C@H]1CCCC(C)(C)C1	2003021020	PTLFZTLEAHKWME-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)CCC2CCC2)C1	2003022504	URAUCXOLMGMTKD-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2CCCCCCC2=O)C1	2003115754	DACANWJUTKBYEG-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)CNc1ccc(CF)cc1	2007031796	SILBEJYBIRDUPL-UHFFFAOYSA-N	237.362	4.784	0	10	BJAE	
CC1CCC(C)([C@H](N)CCC2CCCC2)CC1	2007691613	NFGPAZUPAKTYCN-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
CCCNCC1(CCC2(C)CC2)CCCCC1	2009547288	JSPGXMXQKCSTOW-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@H](C)CC[C@H]1NCC	2009611929	PAADIGNUJUEQFX-DEOFCCLISA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(O)(C[C@@H]2CCC[C@@H](C)C2)C1	2009715214	ZRDISZVBSJPTCB-WXLSXGNJSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(O)[C@@H](C)CC(C)C)CC1	2010714703	ADKJEDDPZOWOKH-LZWOXQAQSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCCCCC12CC2	2011271255	IDRGPACBKBGUAQ-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CC[C@](CNC(C)C)(C(C)C)[C@H](C)CC(C)C	2012416696	MTYYJGPWHVXHAU-CVEARBPZSA-N	241.463	4.719	0	10	BJAE	
CC[C@](O)(CCC(C)C)C1=CCCCCCC1	2013264418	MXEOAUGMNDVIMR-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC[C@@]12CCC[C@H]1C2	2013270942	NHNJRMHVRTZJCJ-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@H]1CCCC[C@@H]1C	2013308599	HWQFOGWGISDTHA-XHSDSOJGSA-N	239.447	4.712	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)C1(C)CCCC1	2014337882	FYIZDDGPSGVSEG-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CC[C@](CNC(C)C)(C[C@@H](C)C(C)C)C(C)C	2015400711	QSZUZXQUZJKIIV-HZPDHXFCSA-N	241.463	4.719	0	10	BJAE	
Cc1cc(N[C@@H](C)C2CC=CC2)cc(C)c1Cl	2016331698	QRSSILRRZRAKTG-LBPRGKRZSA-N	249.785	4.723	0	10	BJAE	
CCN[C@H](CCC1(C(C)C)CCC1)C(C)(C)C	2017145224	HOSHAVQZEVNQKZ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC1(CN[C@@]2(C)CCCC(C)(C)C2)CCC1	2017614786	AFJALUXHUKTAIX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(C[C@H]2CCCC[C@H]2N)CC1	2017729193	UFVNITQLMFHLLA-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CCC[C@H](N)C(C)C)CC1	2017733952	PNDYURVNJIWQII-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@]1(C)NCCC1CCCCCC1	2017868091	JXASPVXWOFALTL-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)N(C)CC1(C(C)C)CCC1	2018180764	ACESVZXAMDUFCL-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCCC1(C[C@](C)(N)C2(C)CCCCC2)CC1	2018999303	KUWDTHJPRMEYQO-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC(C)(CC)CC	2019196708	RLRPZJAQPOVOER-HNNXBMFYSA-N	241.463	4.961	0	10	BJAE	
CC[C@H]1CCC[C@H](N(C)C2CCCCCC2)C1	2019200124	GITYHYJNFXRRKX-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1CCC[C@@H](CC)C1	2019203642	QQVASOPPYKQDOZ-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CC(C)[C@H](C)N(C)[C@H](C)C1CCC(C)(C)CC1	2019387154	XMZPQYSGFRTSHX-UONOGXRCSA-N	239.447	4.568	0	10	BJAE	
CCCN[C@@H]1[C@H](C[C@H](C)CC)CCCC1(C)C	2020365830	YWQLERYGEQFOIA-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1C[C@@H]1C1CCCC1	2022566094	SGWNYSZHFCJZHR-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCc1ccccc1[C@@H](C)Nc1cscc1C	2023028113	VOEVOVRGUOLCOB-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CCN[C@H](CCCCC(C)(F)F)C[C@H](C)CC	2023298196	XRWIPKVEXNTEOA-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC(F)(F)CCCCC(=O)[C@H]1CC[C@H](C)CC1	2023343249	BJKPJNYCCPIUJA-HAQNSBGRSA-N	246.341	4.597	0	10	BJAE	
CC[C@](N)(C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2024093952	GJUZBBYEAUMOJB-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)CCN(C)C[C@@H]1CCCC(C)(C)C1	2024097367	GGOIBFWNHVBZBH-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CC(C)Cc1csc([C@@H]2CCCC3(CC3)C2)n1	2026525767	YNSXVYYVOLPATD-GFCCVEGCSA-N	249.423	4.779	0	10	BJAE	
CC(C)c1ccccc1CC(=O)CCC(C)(C)C	2027510450	PBGOQZWOUZDKOV-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
Cc1ccc2oc(C(=O)CCC3(C)CC3)cc2c1	2027731293	BPMRVNHBCZMJFA-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@]12CCCC[C@H]1C2	2027841584	ANGPSJXCAHPUAN-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)[C@@H](CC)C(C)C)cc1	2028231232	CKZIKDASQVVVAI-RRQGHBQHSA-N	248.410	4.916	0	10	BJAE	
CCc1cccc([C@@H](N)[C@@H](CC(C)C)C(C)C)c1	2028256288	YAPFZFPVXAOZAD-DLBZAZTESA-N	247.426	4.567	0	10	BJAE	
CC1(C[C@]2(N)[C@H]3CC[C@@H](C3)C2(C)C)CCCCC1	2029601678	XTFLWOPVHRQEBH-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1(CC2CC=CC2)CCCC1(C)C	2032104992	HFJIUNZEDPWEGQ-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](c1ccco1)C(C)(C)C1CCCCC1	2032341257	JFFNTRRJXNDKJL-HNNXBMFYSA-N	249.398	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)[C@@H]1CCC(C)(C)C1	2035575184	FINIMRBEYRFHNU-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)C1(CCC3)CCC1	2036544366	WQEUJRUVVWOHIK-UHFFFAOYSA-N	239.362	4.543	0	10	BJAE	
CCCNC[C@]1([C@@H]2CCC(C)(C)C2)C=CCCC1	2037694513	MXXZPZBZSOQKKM-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccccc1[C@@H]1CCC(C)(C)C(=O)C1	2037855209	KSFOTCUJMIEOIA-CYBMUJFWSA-N	244.378	4.673	0	10	BJAE	
CCCC1CCC(N[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2038621121	DPGCDRQNUMZNRT-QZRVTLOJSA-N	249.442	4.514	0	10	BJAE	
CCC1(C[C@H](NC)[C@H]2CC23CCCCC3)CCC1	2038999186	IWJHZRQRMVEONQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H]([C@]2(N)CCCC3(CCC3)C2)C[C@H]1C	2041290714	SUWBMVANCURXSB-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@]1(C)CC=CCC1	2042030990	PZXTWOZEJMPFFK-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)NC1C[C@H]2CC=CC[C@@H]2C1	2042344855	LEXZMNXTDFIWKG-ARFHVFGLSA-N	249.442	4.536	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)CC2=CCCCC2)o1	2043189818	DRKIEJSULMLXJA-GXTWGEPZSA-N	247.382	4.518	0	10	BJAE	
CC(C)(CC(=O)C[C@H]1CC12CCCCC2)C1CC1	2047059466	QGQNLYLRONRYCM-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCCCC1CCC(N)([C@H]2[C@H]3CCCC[C@H]32)CC1	2049208788	KGNAXSCTDWSZAC-JSGMBBGDSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2049225510	PJKFFICBNNZOTC-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CCCCCC[C@H]1C[C@H]1C=CCC1	2049702767	AAEIKWZPQWBZMC-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@H]1CCCC2(CC2)C1	2049849156	OHJYMBGXBNXNIV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCCC2(CC2)C1)C1(CC)CC1	2049853722	FSUIYVPLYYQYOC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H]1CCCC2(CC2)C1)c1cccc(N)c1	2049860197	RVCFNBUQISJGSM-KBPBESRZSA-N	243.394	4.733	0	10	BJAE	
CCNC[C@@]1(CCC2CCC2)CCCCC12CC2	2053352324	ALVQCRTXKQLFRZ-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)[C@H]1CCC[C@@H]1C	2055221021	HBRGIFGDDNRXME-ZFWWWQNUSA-N	244.378	4.504	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CC2CCC=CCC2)[C@H]1C	2055617043	VTIKWWJFVTYDOJ-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1Nc1ccc(CF)cc1	2055677706	JVAYBQVDFKVEOI-DOMZBBRYSA-N	249.373	4.783	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H]1CCCC12CC2	2059225266	LKPVBYDJAOCLNB-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC=CCCCC[C@@H](NCC)c1ccccc1F	2059246827	IGBWYKCDIGGYQI-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CC=CCCC[C@@H](NCCC)c1ccoc1CC	2059257854	AWPQSYVDEXQLQJ-OAHLLOKOSA-N	249.398	4.629	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C1=CC[C@H](C)CC1	2060926228	PRAFDRFNSWZWAX-WMLDXEAASA-N	247.426	4.601	0	10	BJAE	
CN[C@@H](C1=CCC(C)(C)CC1)[C@@H]1CCCC1(C)C	2061095209	LPHHNFNKAUHQBW-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C1=CC[C@@H](CC)CC1	2061148993	ZELQTOFMXMYNIW-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H]1CCCCC1(C)C	2061561662	ULYDVLWETKNSCU-CVEARBPZSA-N	249.442	4.692	0	10	BJAE	
C[C@H]1CCC[C@@H](C[C@H](N)C2CCC3(CC2)CC3)C1	2062820222	UYXSGSFYLYVMPS-LZWOXQAQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063490040	HYCPUUULZQCMLT-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H]1C[C@@H]2CCC[C@@H]2C1)c1cccc(N)c1	2063491556	SEEICHYCEIWEFY-XOUADPBQSA-N	243.394	4.589	0	10	BJAE	
CN[C@H]1C[C@H](CC2CCCCC2)CC2(CCC2)C1	2063643097	SEDRNDGUSSRQNG-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)NCc1cc(C)ccc1C	2066079565	WLIRVHBLJAENIR-KRWDZBQOSA-N	247.426	4.608	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CCC2)C1)C1(C)CCCC1	2067516532	GJUYQWRMBQZDRB-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C1(CC2CC2)CCC1	2069515071	NJGLPGMNIDLFRV-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C2(CC3CC3)CCC2)C1	2069520393	XWNJRIMZKJHMNF-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@@]12CCC[C@@H]1C2	2070791185	UQFGBQQYFOAOJF-DYVFJYSZSA-N	243.394	4.586	0	10	BJAE	
CC(C)(C)C1(CC(=O)C23CCC(CC2)C3)CCC1	2071916305	XZAQTZGZGLXKMW-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CC[C@H]3CCC[C@H]32)CCC1	2071942057	ZYFPOKZWDDVGFY-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C[C@@H]2CC(C)(C)CN2)CC1	2072808212	DOIIOGKSEURDEB-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(N2CCC[C@@]3(C)CCC[C@H]23)CC1	2074863175	DAPZUDHSULLMGW-SJJHQCBESA-N	249.442	4.610	0	10	BJAE	
CC1(C)C[C@](C)(C[C@H]2CCC3(CCCC3)C2)CN1	2078854786	BUPCMRFBLJXIIN-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC1(NC[C@H]2C[C@@H]2C2CCCCC2)CCCC1	2079640680	NHFMSSPGTGRZAQ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1nn(C(C)C)c(Cl)c1C(C)(C)C	2079773369	GIEMYNWIYMWOHC-UHFFFAOYSA-N	242.794	4.538	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)c1cccc(C2CC2)c1	2079842247	NICRCFNKKUKHJB-CJNGLKHVSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2081131107	BVPUPCDXYDQZFS-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@H]1CCCC(C)(C)C1)C[C@@H]1CCCCN1	2082979891	RBNXFSBECUXKJM-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCCC1=C1CCCNC12CCCC2	2083816153	PUGVEMKKKNWGSI-AWEZNQCLSA-N	247.426	4.579	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)C=Cc1ccccc1	2086056090	FURJAZHRZCFCNR-NVXWUHKLSA-N	245.410	4.634	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)C[C@H]2CC23CC3)CC1	2086353306	WWRZRNPOPBGERR-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C)N1CCCCCCC1CC1	2213583978	YBRBUWZNKPTKMG-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@@H]1CC[C@@H]1C	2214958517	FFYQDMWCLUTVOC-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@H]2C)CC1	2215105438	NVTIZILFBCLLPN-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)CC1CCCCCC1	2215252122	MSBJUGMMKUAOOH-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC(C)(CNC(C)(C)C)CC1(C)CC(C)(C)C1	2215394988	VNIONCVPEZFVPU-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@@H]1C)C(C)(C)CCC	2216281887	DGDGFFMDRAPNKU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C(C)C)CCC[C@@H](C)CC1	2217143496	WYMQNQLJEVNULG-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
O=C1C[C@H]2CC[C@@H](C2)[C@@H]1CCCCCCC1CC1	2218723890	HPRAUJLAFXVELB-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
C(CCCC1(CNC2CC2)CCC1)CCC1CC1	2218724999	KFQBVKJLZGHHMD-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(NC2CCC(C3CC3)CC2)c(F)c1	2218892619	BCTFHMXUOXRMDO-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCN[C@@H](CC=Cc1ccccc1)C(C)(C)CC	2219096033	RIWSJGDXKZXWPM-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
CCc1cccc2ccn(CC[C@H]3C[C@H]3CC)c12	2220958392	HWGRUERSSXCBEW-ZBFHGGJFSA-N	241.378	4.640	0	10	BJAE	
CC[C@H]1C[C@@H]1CCOc1ccccc1C(C)(C)C	2220965391	ZGOJXJKJPZPVBJ-KBPBESRZSA-N	246.394	4.799	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC2(C)CC3(CCC3)C2)[C@@H](C)C1	2221084198	REOQDQXGQLERRV-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CCC[C@@H]2C)CC=CCC1	2223550839	NYPMVXNTHQJZAU-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)Nc1cccc(C(C)(C)C)c1	2244154784	ZMHVALMBHLSRSC-LBPRGKRZSA-N	219.372	4.585	0	10	BJAE	
CCCC[C@@H](CCC)NC1CC2(CC(C)C2)C1	2246849546	FESOMENDXFVWJO-PYEOEOCKSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(O)CCCCC1(C)C	2247123845	YKXDTSWREBDUOW-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)CC1=CCCCC1	2247525723	PYPZFKNWVRNNIJ-HUUCEWRRSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C[C@@H]1CCCC12CC2	2247657088	XDSQBMOQUMCGEV-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)C1CCC(C)CC1	2250353944	ZFDNUFHZHNMGHQ-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1CCCC(C)(C)C1	2250360388	WZCOCGRJNWBCGF-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC[C@H]1CCCC1(F)F	2250372078	OCOPRPZPMANSKX-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1CCCCC12CCC2	2250383139	WODFSLQGOTVYNA-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC(F)(F)[C@@H](N)CC[C@H](C)CCCC(C)C	2250480456	GBXHAWVPLCTBRK-OLZOCXBDSA-N	249.389	4.602	0	10	BJAE	
Cc1cn(CC[C@@H](C)CCCC(C)C)cc1C	2250512815	AXNSCLKNHKNDBR-AWEZNQCLSA-N	235.415	4.957	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@@]12CCCC[C@H]1CC2	2251164313	WJHZFVNVKOSNED-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(NC[C@]23CCC[C@H]2CC3)c1Cl	2251166609	JZJBFRYJJBCMIM-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CCC(CC)C[C@@H](N)C1CC(CC(C)(C)C)C1	2251537491	XIEMRIOHNUQFFT-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
C[C@](N)(CC[C@@H]1CCCCC12CC2)C1CCCC1	2253858303	VPUMNKUQZADEFZ-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNc2ccc(CF)cc2)C1	2253971137	UAAUGAHETXGKCF-ZIAGYGMSSA-N	249.373	4.784	0	10	BJAE	
CC1([C@@H](N)CC2CC3(CCCC3)C2)CCCCC1	2254121116	CDYMEISIQCPQME-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1C[C@H]2CCCC[C@@H]2C1=O	2254507302	AYFJXSUXSWUVIH-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC12CCC2)C1(C)CCCC1	2254820338	AWDVZEQQSCCUGE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)CC[C@H]2CCC23CCC3)cc1	2255011210	VGAIXVBMAKNOTO-HNNXBMFYSA-N	242.362	4.538	0	10	BJAE	
OC[C@@]1(CC2=CCCCC2)CCCCC12CCC2	2255045473	NXOMOOSIOMOLOU-KRWDZBQOSA-N	248.410	4.600	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@@H](CC2=CCCCC2)C1	2255126057	GYYORFMIQHHGLV-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CC(C)CCC[C@H](C)CCOc1cccc(N)c1	2257263541	YPBQHLOFNCPOOG-AWEZNQCLSA-N	249.398	4.500	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@]12CCC[C@@H]1CC2	2260588696	TXJZDZHMNUXHHY-XOSAIJSUSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC[C@@H]1C[C@@H]1CC	2298126614	AGLADPDPWASSIA-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1C=CCCC1	2300457207	ALTLPABFCGDPII-HNNXBMFYSA-N	229.367	4.639	0	10	BJAE	
CCC(CC)CC[C@H](CNC(C)(C)C)C1CC1	2300675013	AKFHMWKOWYKYGG-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](NCC=C(C)CCCC(C)C)C1CC1	2300867046	HIOKVHCSZNWYIQ-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CCCC(C)(F)F	2300904534	PMTSBPWHKBKOSL-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CCC(C)=CCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1O	2300907676	VNVZUBQLTVCEHO-ZNMIVQPWSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC1CCCCCC1	2301135445	KOKFQVYRFVCNPF-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CC[C@H](CC2CCCCCC2)[C@@H](N)C1	2301137142	FIGAKTZLGRMODD-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](CC1CCCCCC1)NC	2301138818	AGKBYYUQLCUKGC-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@](C)(CC1CCCCCC1)C(C)C	2301244985	QYMATLGLARIAJL-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@H](C)[C@@H](C)C(C)C	2301977573	HNBYNRJUWTWKNT-ARFHVFGLSA-N	241.463	4.814	0	10	BJAE	
CCCCCCc1cccc(C(C)C)c1OC	2302224095	AQLUABPVJYEOMR-UHFFFAOYSA-N	234.383	4.941	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CCC[C@@H]1C[C@@H]1C	2302610521	WXGFMVDYHZWHKW-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1CCCC12CCC2	2307822496	IIFLDZMNPUBBSS-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C)[C@H](C)CNC(C)(C)C	2307826831	RAWNGLSZVDNDDE-KFWWJZLASA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CCNC2(CCCC2)C1	2307829777	WZLASSFGNSJOSV-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)CC1(N)CC(C2CCCC2)C1	2307829953	YURPCLKXSKCWOW-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CNC(C)(C)C)C1CC1	2307834323	IYBVRGAWGOZUNV-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)C(F)(F)CC	2307893250	HQCCQLWDOIJRIN-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C(C)(C)C1CCCC1	2307897231	AAKIHGKCQIEDPN-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CO)CC12CCCCC2	2307898628	LRIBGKJSRZTULS-GDBMZVCRSA-N	238.415	4.536	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1C)C1=CC[C@@H](C)CC1	2311275727	GVKDXPRKHZRDRE-SRABZTEZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCC1)N(C)[C@@H]1CCCC2(CCC2)C1	2313648477	PXJBMQWRBSSJPT-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
CC(=CCN[C@@H](C)c1ccoc1)CCCC(C)C	2316493338	WGMGWAWMRMIEDF-HNNXBMFYSA-N	249.398	4.703	0	10	BJAE	
CCC(C)=CCc1cc(C(C)(C)C)cc(C)c1O	2316533201	WXGXMCYUJNFGQK-UHFFFAOYSA-N	246.394	4.897	0	10	BJAE	
CC(=CCC(=O)c1cc(C)co1)CCCC(C)C	2316563140	MDWATYUFOAQKLL-UHFFFAOYSA-N	248.366	4.933	0	10	BJAE	
CC(=CCC1(N)C[C@@H]2CC[C@H]2C1)CCCC(C)C	2316569136	VBKIGLSTHXHOGW-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCCC1=CCCCC1	2318523967	JGYVQAMDXPEESH-MRXNPFEDSA-N	249.442	4.992	0	10	BJAE	
C1=C(CCCN2CCC[C@H]2C2CCC2)CCCC1	2318583858	UOVSITGCWHUHES-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1N[C@H]1CCCC12CCCC2	2320134222	KRCDLZBYVQAYCM-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@H]2CC[C@@H]2C(C)(C)C)C1	2320246481	JLMIRCCIVCXFAM-PNBKFKSVSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C[C@@H]2C[C@H]2CC)cc1	2320352951	RYORUHGUZWRWOR-IOASZLSFSA-N	244.378	4.819	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)CCCC2(C)CC2)CC1	2320415903	FNDLTAWOQUVJTL-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CN[C@@H](CC1CC(C)C1)C[C@@H]1CCC(C)=C(C)C1	2320423571	NANWONRLVRMJQB-SHXOLCEUSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(CC(=O)C(C)(C)C(C)C)c1	2320645736	QAGAYSCEQLTGBS-UHFFFAOYSA-N	246.394	4.604	0	10	BJAE	
CC(=O)c1c(C)sc2c1ccc1ccccc12	5724431	SXDPOJOQDHEBCF-UHFFFAOYSA-N	240.327	4.566	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CCCC[C@@H]1C	19986729	JFEYNQIWRRQKNP-GWCFXTLKSA-N	237.774	4.639	0	10	BJAE	
CC(C)c1ccc([C@@H](C)Nc2ccccc2)cc1	20547727	JZFARZTXQJVUMA-CQSZACIVSA-N	239.362	4.983	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccc(C(F)(F)F)cc1	21507494	PGCMZVZJQWNCIM-VHSXEESVSA-N	245.288	4.552	0	10	BJAE	
Cc1ccc(C)c(-c2ccc(C(C)C)c(N)c2)c1	41282560	CPVCPCWBDDFBNY-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
CC(C)C[C@H](N[C@H](C)CC1CC1)c1ccccc1	70101750	GKCNBTPOAQNVKC-PBHICJAKSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(CCC)CNC	71127675	CSZJJAVMBGMRFL-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@](O)(CC)c2ccccc2)C1	71153396	KNPZAURHSGFICJ-BHYGNILZSA-N	246.394	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1Nc1ccc(Cl)cc1	82857316	TWTLMHFWFFFFCR-UHIISALHSA-N	237.774	4.577	0	10	BJAE	
Cc1cc(C)c([C@@H](C)NC[C@H](C)C(C)C)cc1C	83898296	JIELEZRCIMPNLP-JKSUJKDBSA-N	247.426	4.555	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC[C@H](C)[C@@H]2C)c1	85085188	DVIYYVKFUUBYCY-OFQRWUPVSA-N	231.383	4.540	0	10	BJAE	
CCC[C@@H](C)CC1(CN)CCC(C(C)C)CC1	87961476	LWZOGELSVAUCEK-QQFBHYJXSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CN)c1ccc(C)cc1	93136848	XPVRSSQNHHCQON-NVXWUHKLSA-N	247.426	4.644	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCCC1(C)C	94279878	IQXYJIYHFKAEMF-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CCCOc1cc(C)ccc1N[C@H](C)CC(C)C	103988754	OOVPVJLDFRWOPA-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CCCC[C@](CC)(CN)CCCc1ccccc1	104004819	JZUVWOHITKRUIU-KRWDZBQOSA-N	247.426	4.555	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)C(C)(C)CC)cc1	104007473	KOVGXPBAJHGHBX-SWLSCSKDSA-N	233.399	4.636	0	10	BJAE	
CC[C@H](C)c1ccc(-c2ccc(N)c(C)c2)cc1	109774252	BOBDVHOMUMXJOB-LBPRGKRZSA-N	239.362	4.758	0	10	BJAE	
CC(C)CC(CC(C)C)NCCC1CCCC1	109896782	ORQWJFBRRLDXCP-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)N[C@H]1CC[C@@H]2CCCC[C@@H]2C1	109944400	FDIQLIPJVMIGJU-JJXSEGSLSA-N	237.431	4.514	0	10	BJAE	
CCCCCCC(CCCCCC)NC	124746918	BGDHLAMHEYQRJM-UHFFFAOYSA-N	213.409	4.515	0	10	BJAE	
CCC(CC)C(=O)c1ccccc1C1CCC1	128268051	CMRQQXMHVNGFJL-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC(C)c1ccc(-c2cc(Cl)ccc2N)cc1	132075653	ZQUSXMHZZKWDPO-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CCC(CC)Oc1cc(Cl)ccc1Cl	132395064	MRJQMDBDHQFLHJ-UHFFFAOYSA-N	233.138	4.561	0	10	BJAE	
CC(C)=CCc1cc(Cl)c2ccccc2c1O	139673264	ZTJFWSCBRXGNBB-UHFFFAOYSA-N	246.737	4.708	0	10	BJAE	
CC(C)(C)[C@H]1CCc2ccccc2N1C(C)(C)C	143183051	UCRGXNVNIUZYGH-OAHLLOKOSA-N	245.410	4.652	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C2CCCCCCC2)C1	158834783	BLCLOACFTCMMGE-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCC(O)(CCC)[C@@H]1CCCC[C@H]1CC	163746510	DBSPFIBNVDWAAO-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H]1c2ccccc2-c2cc(C)ncc21	207076901	QUGQJSIMWWNMEJ-OAHLLOKOSA-N	237.346	4.693	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCCC2CCCC2)C1	225051984	GPGTZRYFYKBXCY-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H]1CCCCC1(C)C	226913336	XUROFQUCTCBWOZ-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@]2(N)CCC[C@@H](CC)C2)C1	226988726	JUNWXNJOSJIBMT-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1[C@@H]2CCCC[C@@H]12	229113114	FEGXIMQTQOSQBM-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC([C@H]2CCNc3ccccc32)CC1	232924604	BCKMMOHCUDRVGN-YMAMQOFZSA-N	243.394	4.802	0	10	BJAE	
CCCCC[C@@H](C)c1c[nH]c2c(F)cccc12	232959097	HAFPENAWOXVQSH-LLVKDONJSA-N	233.330	4.991	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@@H]1CC1CCCCC1	235717490	JPOLWDPCOJYYDG-SUMWQHHRSA-N	243.394	4.630	0	10	BJAE	
CC(C)[C@H](F)c1ccc(C(C)(C)C)cc1	260635261	UTKUDRYJGKQUAZ-ZDUSSCGKSA-N	208.320	4.651	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(C)c(Cl)c1	300956493	PSNZOXGDGULWJQ-LLVKDONJSA-N	238.758	4.657	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C2(N)CCCCCCC2)C1	302484163	HWMOCEMNTQREFF-FICVDOATSA-N	237.431	4.501	0	10	BJAE	
CCC(=O)c1ccc(-c2cccc(C)c2Cl)o1	304216006	QLKXIIKUBYBZQU-UHFFFAOYSA-N	248.709	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@](O)(CCC)C1CC1	304333246	NUPXTLKFSDFZIZ-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1cc2ccccc2o1	305953090	NHSJLEWWKUJXKW-LBPRGKRZSA-N	244.334	4.688	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](CC1(C)CCCC1)NC	308072332	SDYPPKLOOCCFDO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@@H]1CCCC12CCCCC2	313081712	RMTXYOLEHMTJNN-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCNCC1(CC=C(C)C)CCC(C)(C)CC1	317327185	VMNQHMKTBZTFKS-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@]1(CNC(C)C)CCCC[C@H]1C	318131152	XEUOYKRIYMAJHZ-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CC[C@]1(CNC(C)C)CCC[C@@H](C)C1	319267886	ZWDOCJNPRLZKDF-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1cc(C)cs1	379140042	SAVASEXRRXMBAO-OLZOCXBDSA-N	240.412	4.696	0	10	BJAE	
CCc1ccccc1N[C@H](CC)C1CCCC1	387664046	OBBXGLLGNQWAFG-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCCC12CCC2	394732468	LNTZNVXFGIPXCW-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC(CN[C@H]2CCCC23CCC3)CC1	394846496	COKSYUQXNHKIJY-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(C(F)(F)F)c2scc(C)c12	396303779	MGCPKZUHOPJYLF-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CC[C@H](C)C1	402185846	ZPPVKQUJOCATNG-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1cccc(C(C)C)c1	688951774	ZTRFODNMFCGKIM-XJKSGUPXSA-N	233.399	4.507	0	10	BJAE	
CCC(F)(F)C(C)(C)C[C@@H]1CCCCCC1=O	691043893	LOZIMNQUKSNHLV-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](C)CCC(C)C	691098331	JAJOJMIYDUJDKB-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
C1CCCC(CCNC[C@@]23CCCC[C@H]2C3)CC1	693552811	ZZTBXZYMQYOQHG-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CCC(C)(C)CC	696562351	WACNPLNRXXGJIC-UONOGXRCSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)[C@H](C)CC(C)(C)C	704626025	RKNOBVIIGIWYET-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)c1coc2ccccc12	708315782	JFVZYQYLTLMWSY-IAQYHMDHSA-N	245.366	4.505	0	10	BJAE	
CC[C@](N)(C[C@H](C)CC(C)(C)C)c1ccccc1	709140006	FBMKTSNISRNSGK-PBHICJAKSA-N	247.426	4.713	0	10	BJAE	
Cc1cccc([C@H](C)NC[C@H](C)CC(C)(C)C)c1	709184544	BDOXUDQHMCGFMW-CABCVRRESA-N	247.426	4.718	0	10	BJAE	
CCCN[C@H](C)CCC[C@@H](C)CC(C)(C)C	709194492	YZEPZZQOLZANBK-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CSc1ccc(O)cc1)CC(C)(C)C	709232215	BHJJXGCUHXUQEN-LLVKDONJSA-N	238.396	4.557	0	10	BJAE	
CC[C@H](C[C@@H](O)c1cc(C)ccc1C)C(C)(C)C	711211447	PCWWFBQUPQLTGI-GDBMZVCRSA-N	248.410	4.799	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)CCCC(C)(C)C	713052009	WDIXRUFGRLHYRD-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C[C@H](CC)C(C)(C)C)CC(C)(C)C	713170124	UAXAPQSGFPLILG-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(C)c([C@H](N)CC(C)(C)C(C)C)c(C)c1	713242389	YGXLJGADJBZJLW-OAHLLOKOSA-N	247.426	4.684	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CO)CCC=CCCC1	719066666	RTBAWDVCZCFWPQ-MRXNPFEDSA-N	238.415	4.702	0	10	BJAE	
CC[C@H](C)CS[C@@H](C)c1ccc(F)cc1F	1643784859	ASDUGSNOPZUMPR-UWVGGRQHSA-N	244.350	4.805	0	10	BJAE	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCC1=CCCCC1	1652530488	QEHGZKFHOXODQQ-HYVNUMGLSA-N	247.426	4.530	0	10	BJAE	
C1=C[C@H](SCc2ccccc2C2CC2)CCC1	1656466148	JANONNOKVHFXNI-HNNXBMFYSA-N	244.403	4.906	0	10	BJAE	
C[C@@H](CC1CC1)N[C@@H]1CCCCC12CCCCC2	1875418156	GXTYVVBZURPVQD-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)CCCC(C)C	1900579189	CHDLAOWXMSYIEV-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CCCc1ccc(C[C@@H]2C=CCCCC2)s1	1900670973	ZNASZSLIZQVSGJ-CYBMUJFWSA-N	234.408	4.990	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@]12CCCC[C@@H]1C2	1909895594	CORFJHVSSPLDLI-PMPSAXMXSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](CCC(C)(C)C)NCC	1910743691	QHMAJSYGYRLPNW-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@@H](CC(C)C)C(C)C	1910808871	CMBDCWBRIWDPAA-ILXRZTDVSA-N	238.415	4.700	0	10	BJAE	
CC=CCCN[C@H](C)c1ccc(C(C)(C)C)cc1	1911790171	RZTZLZCBVGQCHD-CQSZACIVSA-N	245.410	4.601	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H]1CCCC[C@H]1C	1911794551	NZBUVOBPIKIDDU-ZACQAIPSSA-N	249.442	4.703	0	10	BJAE	
CC(C)C(C)(C)C=C1CCC[C@@H]1[C@@H]1CCCCN1	1912042194	IFHICWYEGLTKGG-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@](O)(c1ccccc1)C(C)C	1919885854	MKGNLDMASOGDGT-QGZVFWFLSA-N	246.394	4.667	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)C1CCCCCC1	1920188210	MGOGTVOFSFGUCT-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CCCC12CCC2	1921585837	JNDGEOQLYLLZMV-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCNCC1(C[C@H]2C=CCCCC2)CCCCC1	1925801320	BQOCUAQFGYIVNL-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CCC1(C)CC1	1935882150	JPDLDQTWGXNHFU-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CCC)CCCCCC1CC1	1936417818	QNDZMRLFTCFHSP-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@H](CCC(F)F)CCC(C)(C)CC	1942301811	JFHPIYUATIYIDZ-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC(C)C)[C@H](C)C(C)C	1942652444	HMQBFTVAMYKWKG-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(N)CC(C)(C)CC2(CC2)C1	1943082754	WPLBIAXSRLNAJT-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CC1(O)C[C@@H]2CCCCC[C@H]2C1	1947844123	ZZRPSYMBNWXDGO-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(N)CCC(C)(C)C1CC1	1949032144	JRRDJRLYWIIRKB-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)CCCC(=O)c1cc(Cl)cs1	1958190327	CSIXKBRXBYEYTE-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1N[C@H]1CCCC12CCCC2	1964605821	INNAKQHEWDGRPD-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CCC(N[C@H]2C[C@@H]2C2CCCC2)CC1	1967829169	YUBKTJPKHDCHCR-GMRIPVOYSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NCC2CC(C(C)(C)C)C2)cc1F	1968320996	UUXPCIWLRNFQLW-UHFFFAOYSA-N	249.373	4.618	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCCCC12CCC2	1968360474	SISVOAKFNCFMOT-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC1(C)C)C1CC2(CCC2)C1	1969956448	ZSLMMTCMGGLMDR-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCC12CCC(CC1)C2	1970848535	XANWNNQVQTVOTK-OOHWJJMZSA-N	249.442	4.515	0	10	BJAE	
CC1(CNC2CC3(CCCCC3)C2)CCCCC1	1971297483	WTEYKQAUELFPET-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1cc(C)c(Cl)cc1C	1977429264	YECGJZPEBPDDFK-WCQYABFASA-N	237.774	4.557	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1(C)CCCC1	1978451742	ORDPGKARNZIFNJ-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H](C)CC[C@@H](O)c1ccccc1Cl	1980681791	PQKUWPPGAXYFES-BXUZGUMPSA-N	240.774	4.590	0	10	BJAE	
CCCC(CCC)CN[C@H](C)c1ccsc1	1981290135	PWHRKCVIBJLUTO-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@@](C)(CN)CC1(CCC)CCC1	1988467028	PYBLHLXGSVYQDF-CQSZACIVSA-N	225.420	4.502	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1(C)CCCC1	1990090709	FETZPKCPYMLZFQ-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCN(CCCCCC(C)C)[C@H](C)C(C)C	1990848581	GRNQOAYBSNCKST-OAHLLOKOSA-N	227.436	4.569	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)C12CCC(CC1)C2	1995988613	PIUSLCUQWLHATL-FXQLRMTLSA-N	237.431	4.514	0	10	BJAE	
CCCSc1ccccc1NCC1=CCCC1	1996564097	MQLDSSBKXPBCRJ-UHFFFAOYSA-N	247.407	4.711	0	10	BJAE	
Cc1cccc(NC[C@H]2CCC=CCCC2)c1	1999992876	IXFUYJIYLFSGQR-HNNXBMFYSA-N	229.367	4.543	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)[C@@H]1CCCC(C)(C)C1	2000179225	OHANZHRSAVSMQB-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CCCC(C)(C)C	2000189012	PGBDOCXGLWQGJU-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C(CC)(CC)CC)C1	2000214655	GJHNIWYSRUDAAU-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
Cc1csc(C(=O)C[C@@H]2CC23CCCCC3)c1	2001260015	RXXZWRWWWLLJOJ-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H]1CCC12CCC2	2001843798	ITWREJOTTBWEQY-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC([C@](C)(O)[C@H](C)[C@@H](C)CC)CC1	2002929331	LJFQCOIQEJZDNB-AOTHYSKPSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)CC2CCCCC2)C1	2003013331	GTSWDJKDNKUSTO-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CC[C@H](C)CC1	2003066800	IIBOBQVHPDSFMO-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1CC[C@@H](NC2CCCCCCCC2)C1	2003074414	JUAKAFDTXKDPRU-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
CC(C)=CCC1(N)CCC2(CCCCC2)CC1	2004225085	HOSBJFQSRKQHDB-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCC1(C)CCC(O)([C@H]2CCC[C@H](C)C2)CC1	2004339132	LQAIAHBDKOARCA-FXQLRMTLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)C1(C)CCCCCCC1)C1CC1	2004937341	NNRFEZSVBFKTSS-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)C(C)(C)CC	2007812669	PAQRGCCADLWNRS-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](N)[C@@H](CC2(C)CCCCC2)CC1	2009405580	AFCGFHLKNFINJB-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1CCC(C)CC1	2009636236	VGRFOUBZYBXQKY-GUYZCGGBSA-N	237.431	4.537	0	10	BJAE	
CCC(=O)c1oc(-c2cccc(Cl)c2)cc1C	2012054084	NWUWXBDRIIBPFC-UHFFFAOYSA-N	248.709	4.501	0	10	BJAE	
CCC(CC)CCNc1cc(F)c(C)c(F)c1	2013720008	IXODWQGQHGUNOE-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
CC(C)C(C[C@](C)(O)CC1CCCC1)C(C)C	2015278657	QDKSATPJGJYGJD-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C[C@H]1C(=O)C[C@@H](C)C[C@@H]1C)C(C)C	2015387468	JFGBRKXJXHQQJZ-KCQAQPDRSA-N	238.415	4.556	0	10	BJAE	
CCCC1(C[C@H](N)C2CCC(C)CC2)CCC1	2015589645	XVOXMJDAONASTO-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)[C@@H](C)C(C)(C)C)CC1	2017653213	QHQJVHAAJADIOY-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CCCC1CC(C(=O)C[C@H]2CC[C@H](C)CC2)C1	2017775249	ZLMVTZORRVZZPP-RBAFREBBSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)CC1CC(C2CC2)C1	2018130217	NDOCYQXDNLQFLO-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H]1CCC[C@@H](CC)C1	2018130971	MDHSALOSDXHGDJ-OWCLPIDISA-N	240.431	4.924	0	10	BJAE	
CCC1(C[C@@H](CC2CCCCCC2)NC)CC1	2018990279	LKMLNYXPWYMFCS-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@H](C)CC(C)(C)C)CC1	2019005507	GDPGBNYJPKKOHS-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@H]1CCCC(C)(C)C1	2024093537	CHQMMHKFXSDFDE-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@H]1CCC(C)(C)C1	2026171623	WOSNFLDYXORUMQ-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](N)Cc1ccccc1C(C)C	2027498485	GLHVTTYNQCMEKL-INIZCTEOSA-N	247.426	4.650	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1ccccc1C(C)C	2027518845	WNAQIDISZQLHTJ-KRWDZBQOSA-N	245.410	4.946	0	10	BJAE	
CC1(CCCC(=O)[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)CC1	2029601830	ZAANMOKYTZMWHI-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCC[C@@]1(CNC2CC2)CCCC1(C)C	2032112397	QAAPDQFGVUYMFJ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@]1(CC2(C)CCCC2)CC12CCC2	2032135349	MVQFDGIVFIYAPT-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)(CNC1(C2(C)CC2)CC1)C1CCCCC1	2034015166	ARZWIDNRSAIAAK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1N[C@@H]1CC[C@H]2CCCC[C@@H]21	2034264974	SUJQVLHCRDEPFB-HLLBOEOZSA-N	243.394	4.630	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](C[C@@H]2C=CCCC2)C1	2035551708	JEBJERJNFROJNT-QLFBSQMISA-N	248.410	4.764	0	10	BJAE	
N[C@@]1(C2=CCCCCC2)CCCC12CCCCC2	2037100904	LDJBWMZTRLDFSF-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
C[C@@H]1CCC[C@](CN)([C@@H]2CCC3(CCCC3)C2)C1	2037686677	NWWZUTDVXIPSPO-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)[C@H]1CCC2(CCCC2)C1	2037694477	MSPBRDDMLNSMEE-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](N)c2c(C)c(C)cc(C)c2C)CCC1	2039719952	MVSXWFRODPFSCJ-MRXNPFEDSA-N	245.410	4.500	0	10	BJAE	
C[C@@H](NC[C@@H]1CCCC12CC2)C1(C)CCCCC1	2039871550	FBKDTUGPDVIJKT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CC(C)=C[C@H](C)C1	2045765307	ZPSHALGQGFHFHR-BHYGNILZSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@@H]2CCC23CCC3)C[C@H]1C	2047934972	GBQZZKUHMXLFCI-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2CCC3(CCCN3)CC2)C1	2048950073	FYFQJIKRYRMBBT-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)[C@H]1CCC[C@@H](C)C1	2049539612	IBIQWERAPRHACN-BNOWGMLFSA-N	249.373	4.761	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)c2ccoc2)CC1	2049639129	ZGILXTYWOLWLEU-HDJSIYSDSA-N	248.366	4.849	0	10	BJAE	
N[C@@H](CC1=CCCCC1)C[C@@H]1CCCC2(CC2)C1	2049850653	ZJKSPPCMGBAAAZ-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
C[C@@](N)(C[C@@H]1CCCC2(CC2)C1)C1CCCCC1	2049864336	IYIQJIDERFNQJA-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
CN[C@H]1C[C@H](C[C@@H]2CCC=CCCC2)C[C@@H](C)C1	2055015341	KPWQWKZSOMMZPZ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1C[C@H](CC)C[C@H](C[C@@H]2C=CCCC2)C1	2055035861	WBFFMSOAPXNUEB-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C1(N)CC2(CCC(C)(C)CC2)C1	2055281506	AIXAFQXPBPOKPI-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C2CC(C3CCC3)C2)C1	2056676679	CKKOHUCJIRREDF-KCNJBTMXSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)C1(C(C)C)CCC1	2056875855	KYDMEOGIPOFUCC-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C1CC(C2CCC2)C1	2057486184	KHCSBCKLAGXGAU-JCYILVPMSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NC)C(C1CCC1)C1CCC1	2059250114	NPNSAIQPSSQETL-QDLOVBKTSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C(C)C)CC1)C1CCCC1	2061088079	KKTJTHSKWJXWSM-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1CC1(C)C)C1=CC[C@H](CC)CC1	2061148880	YLAVSTKRONBRIW-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(CNCC[C@@]23CCC[C@@H]2C3)CCC1	2061591008	HLFUGBHOTBZZTQ-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CCCc1ccc([C@H](C)NC[C@H](C)CCC)cc1	2066315307	YIBVCPPFACWWQC-CABCVRRESA-N	247.426	4.726	0	10	BJAE	
CCC(CC)(CC)CNc1cccc(C(C)C)n1	2066344519	MPWLHNSYGXWHNH-UHFFFAOYSA-N	248.414	4.833	0	10	BJAE	
CC[C@@H](N[C@H]1C[C@H](C(C)(C)C)C1)c1ccccc1	2066628942	DLPLQDUSYWVNMF-BZUAXINKSA-N	245.410	4.552	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)C[C@@H]1CC12CCCCC2	2068270802	COULSKOTKPCQNU-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)CC(C(C)C)C(C)C)c1	2068839669	APBQYWHAVYKCSV-KRWDZBQOSA-N	248.410	4.655	0	10	BJAE	
CC(C)C(CC[C@@H]1Cc2ccccc2N1)C(C)C	2068960793	VLDWOWPTYFOABF-OAHLLOKOSA-N	245.410	4.732	0	10	BJAE	
CCCC1(CC(=O)c2cc(C)cc(F)c2)CCC1	2069283819	UZBNFXRLNJTMGJ-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)C1(CC2CC2)CC1	2069510754	GBKUUSJGFXDQSN-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(C[C@]23CCC[C@@H]2C3)C1	2070966921	LEXHMXMZGGHOLL-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@@](C)(O)c2ccccc2)CCC1	2071900886	CWNYLEIOIPFIKT-MRXNPFEDSA-N	246.394	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C2=CCCCCC2)CC1	2072695376	GRNMCNQEQBBHRC-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CCC1CCC(C[C@]2(N)C[C@H]3CC[C@H](C3)C2)CC1	2072805888	GTRALPPBPRELQD-BOXKHOIUSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)C[C@@H]2C[C@@H]2C2CC2)CC1	2072870281	AIDWNZDVHCXQHZ-KWVKFQHESA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](NC)C2(CC3CC3)CCC2)CC1	2074652035	DHFQZPVMAOUWLU-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1C[C@H]2CC[C@H]1C21CC1	2078340724	RJULYFAJWYCHLW-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2C[C@H]2C2CCCCC2)CC1	2079437143	ZTOWXBYJYRDPSU-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)[C@@H]1CCCCC12CCC2	2079633983	QQTHBHIQQIYMNK-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2C[C@@H]2C2CCCCC2)C=CCC1	2079850406	FIYJJRPECPJPFD-UXLLHSPISA-N	246.394	4.518	0	10	BJAE	
CN(CC=C1CCC1)C1CCC2(CCCC2)CC1	2081798014	LKRLSCXNVGYGKW-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CCCC[C@@H](CC)N(C)Cc1cccc(C)c1C	2082956302	RGXBXYGJMDWOSU-QGZVFWFLSA-N	247.426	4.704	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CC1C2(CCC2)C12CCC2	2083563657	FMIWNTYLTAPGBZ-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC1C2(CCC2)C12CCC2)NCC	2083572467	WLDFAXSYTXUUSM-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H](Nc2ccc(C3CC3)cc2)C1(C)C	2084360962	IBDNBHNYLYWCJQ-OAHLLOKOSA-N	243.394	4.801	0	10	BJAE	
CCC1CC(C[C@H](N)[C@H]2CCC3(CCCC3)C2)C1	2084989700	RGWOVSPTJIFIGG-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)[C@H](C)N(C)CCCCCCC1CC1	2213534700	MJEVNGUIJGBTBM-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
Nc1cccc(SCCCCCCC2CC2)c1	2213573271	FXCITUHHNYPHFK-UHFFFAOYSA-N	249.423	4.721	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C)c([C@@H](C)CC)c1	2214051669	KWZFAMPDOMWEHC-JSGCOSHPSA-N	233.399	4.569	0	10	BJAE	
CCN[C@@H](C(C)(C)CC)[C@]1(C)CC=C(C)CC1	2215819906	ZPDGQNNPSZFDPH-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(C[C@H](C)C(C)C)C(C)C	2217123762	BCTVKMMNDUEDBQ-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](C)NCC(CC)(CC)C[C@H](C)C(C)C	2217125823	RSMZTQDJKGUOLH-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCCC1CCC(C)(CNC2CCC2)CC1	2217140075	QATUNUINJWUTQG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)[C@@H]1CCC(C)(C)C1	2217151923	ZUTIRJHVMCJYOG-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1CCC[C@@H]2C[C@@H]21	2218726976	SPRSPNFRMIAYFJ-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
C[C@](N)(CCCCCCC1CC1)c1ccccc1	2218727538	RAUKUHAHHQPYBZ-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
N[C@H](CCCCCCC1CC1)CC1C[C@@H]2C[C@H]2C1	2218728627	VJBJPKNRTWBMTL-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)C/C=C/c1ccccc1	2219047914	NCMBWNSIZJWTLL-BQWPMLRZSA-N	246.394	4.523	0	10	BJAE	
C[C@@H]1CC[C@@H]1CN[C@H]1CCCC2(CCCCC2)C1	2220609301	VJRUZQYHWRYMFQ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1ccccc1C(C)(C)C	2220925252	BZIPBYKEWZSDNR-ZIAGYGMSSA-N	245.410	4.832	0	10	BJAE	
C[C@H]1CCC[C@H](NCC2(C)CC3(CCC3)C2)CC1	2220937277	XAKHKSAAWXDTIB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)C2(CC3CCC3)CC2)C1	2221024510	BWZGMYCMCJMSJV-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c([C@@](C)(O)[C@H](C)CC(C)C)c(C)c1	2221991825	BDDIMGMHRAHJGH-WBVHZDCISA-N	248.410	4.502	0	10	BJAE	
C[C@H]1CNCCC(=CCCCCCCC2CC2)C1	2223109049	HEKGQBZQDLXWEC-OAHLLOKOSA-N	249.442	4.683	0	10	BJAE	
CC1(C)C[C@H](C=CCCCCCCC2CC2)CN1	2223132228	HMZBYYRQASMMHK-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C(CCCN[C@@H]1C[C@H]2CCC[C@H]21)CCCC1CC1	2223158605	KXROXLXFVUKTSC-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1ccc(C2CCC2)cc1	2223692617	YHAHFVNRKZBSCO-AHIWAGSCSA-N	246.394	4.670	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)C2CCCCCC2)cc1	2223969067	OHTABXDZPGYTFQ-AWEZNQCLSA-N	244.378	4.638	0	10	BJAE	
O=C(CC1=CCCCC1)c1ccc2occc2c1	2224141001	CARFMCGAWJSKJL-UHFFFAOYSA-N	240.302	4.506	0	10	BJAE	
O=C(CC[C@H]1CCCCC12CC2)c1cccs1	2246605112	BXNZIVRLIQMTBY-GFCCVEGCSA-N	248.391	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@H](C)C(C)(C)C)C1	2246659840	LFYACRMUXXEJOU-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CC[C@H]1CCC[C@H](C)C1	2246664461	IIXMHZIQJCCMDF-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC[C@H]1CCC[C@@H](C)C1	2246678352	IPKQWNAHZMBFSE-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCC1(CC)CC(O)(CCCC[C@H]2C[C@@H]2C)C1	2247119961	BPXGEWRUGRYTGH-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C1(C)CC(C)(C)C1	2247162050	FUCHXEWBXNSNFI-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@@H]1CCC1(C)C)NC	2247303420	MAZOGTMGJPAIRD-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CCC1(C)C)C1CCCCC1	2247446916	KQHYRTXDGMXWQN-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CC2=CCCCC2)C1	2247498163	KSVZJRBRROMADO-HUUCEWRRSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CC[C@@H]1CCCC12CC2	2247646285	WCYIVDIKNZMHQY-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@H]1CCCC12CC2	2247665907	QLDTVSMBWUIWOO-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@@](F)(CCN)CC[C@@H](C)CCCC(C)C	2250480699	HQQMBHSVYDICPI-GJZGRUSLSA-N	245.426	4.696	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(O)CC[C@H](C)C1	2250495361	HNVDLKCSIPWMRZ-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(C)(C)C[C@@H](C)N	2250513241	FGYCXNUDQNANGZ-LSDHHAIUSA-N	241.463	4.993	0	10	BJAE	
CCCC[C@H](CC[C@]12CCCC[C@H]1CC2)NC	2251174171	DSDOXVRKRJGAMZ-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@@]12CCCC[C@H]1CC2	2251220070	LGYNTGFZNQHAEU-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@H]1C(=O)C(C)(C)CCC1(C)C	2251718522	LYDMZXRFEXGQBF-YBJDMEARSA-N	236.399	4.764	0	10	BJAE	
CC1CC(CCC(=O)C[C@H]2C=CCCCC2)C1	2251762700	HAJFVBIUYINRIQ-SLTAFYQDSA-N	234.383	4.518	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc2ccsc2c1	2253068353	RRBHPHAKNPZHEB-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
O[C@H](CCCC1CC1)c1ccc2ccsc2c1	2253089262	HQOFXEZCKCQNBP-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC[C@](O)(CCCC[C@H]1C[C@H]1C)c1ccccc1	2254540639	ZUNYRQWBMYOFLC-VYDXJSESSA-N	246.394	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)[C@@H]1CCCCC12CC2	2254543550	MDLZMFHIEVVMPB-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
COc1ccc(C(C)C)cc1CC1=CCCCC1	2255117851	NWJQKHSJHDBMCD-UHFFFAOYSA-N	244.378	4.862	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@@H]1CCCC12CC2	2255228097	NCLXMHCXJBRITL-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NCCCCC[C@@H]1C[C@H]1C)c1ccccc1	2257338610	HZCDNAOPXBORAL-HLLBOEOZSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(OCC2CC3(CC(C)C3)C2)cc1C	2259555418	FZNXTXLQVCTESM-UHFFFAOYSA-N	244.378	4.509	0	10	BJAE	
C[C@@H](C(=O)c1cccc(C2CCCC2)c1)C1CC1	2260734502	ZAZHKYPHCXZZAO-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CC1(C[C@@H]2CCNc3ccc(F)cc32)CCCC1	2261337009	FNYFHCPUMVIIEV-LBPRGKRZSA-N	247.357	4.695	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@@H](CCC(CC)CC)C1	2300683436	JPSGKWANQMSCDM-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC(C)(C)[C@H](NC)C1	2300689367	XIWDBMCQJVGPAR-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C	2300874980	QEXYPKOUWZTNAF-XJKSGUPXSA-N	236.399	4.764	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(O)CC1CCCCCC1	2301207327	JKUIHZIRDULMEE-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCCCC1=CCCCC1	2302310104	ULEWMUGLYPDNQG-CQSZACIVSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC[C@@]2(C)CCCCN2)C1	2302617330	HOWGNGBNGNDEGD-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCC(C)(C)C1)C(C)(C)C	2302710170	OCJKTOTXLQAHOE-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)C[C@H]1CCC(C)(C)C1	2302751556	UYRLLUKIDMOBSC-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCc1cscc1NC1CC2(C1)CC(C)(C)C2	2302890293	SIVSDAJMZJMMSI-UHFFFAOYSA-N	249.423	4.691	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303461278	IHVWHBLLYYCLCY-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@H](C)NCC[C@H]1CCC(C)(C)C1	2304421471	YOOVVROLCSHSEU-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@H](CC[C@H]1CCC(C)(C)C1)NC	2304434317	CTMWSLDFCOQHNM-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC1(CN[C@H](C)CC)CCC1	2307837093	FBQXHAVYVVGLHN-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC[C@H](CC)CC1	2307841263	GCBOYAQOOKIXEG-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H]1CC[C@@H](C(C)C)C1	2307909867	WAGRZSCJCONXLJ-XHSDSOJGSA-N	239.447	4.569	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@@H]1CCC[C@H]1C(C)C	2309909188	DZHXKWLCQXUBFC-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312943513	AUOMDVDXRGBOJH-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2313323603	FOPFODZVSLUXSG-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)C[C@@]12CCC[C@@H]1CC2	2313348918	OWMQGFPUCLYTES-PVAVHDDUSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)c1cccc(C2CC2)c1	2313705409	SVMLTMYGILKACC-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
C[C@@H](CC(=O)[C@H](C)CC1CCC1)c1ccccc1	2313705627	VMJNEIKPFIPJNI-UONOGXRCSA-N	244.378	4.576	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1CC2(C1)CC2(C)C	2316540429	UUAKYBAAYWIMRX-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@H]1CCCCC12CC2	2316885448	MYDBWMMTYLOCJC-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H]1CCC[C@@H](CCCC2=CCCCC2)[C@H]1C	2318583300	NMFCNKJYZFTESG-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)(C)C1)[C@@]1(C)CC=CCC1	2319326059	LFZCZJRAIJOSGS-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(NC[C@@H]2CC[C@@H]2C(C)(C)C)cc1	2320239310	CNRPSUSXZBRUNN-HOCLYGCPSA-N	245.410	4.733	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@H](N)[C@]1(C)C=CCCC1	2320241885	XULDDIBYXKAZRE-QSJFSLAZSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](CN(CC(C)(C)C)C2CC2)CC1	2320349325	YGWCSQQKOGLVQH-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cccc(C2CCC2)c1	2320657263	NKMSLASJHYRVLG-OLZOCXBDSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)CC3CCC2CC3)C1	2321643043	UFTVZRWKKZQLNE-CLKYRPBMSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(N[C@H](C)c2ccc(C)o2)CC1	35013408	FJFLMDZLVXLFPX-WLYUNCDWSA-N	249.398	4.598	0	10	BJAE	
CCCCCCc1c[nH]c2c(C)cccc12	35061227	QUMTVUNVBJVFCI-UHFFFAOYSA-N	215.340	4.599	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)c1ccc(C)cc1C	35468101	HNCCXEUYXNAYOT-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
c1ccc(-c2ccccc2NCc2ccoc2)cc1	63046555	MVUZVRKVIFKJPP-UHFFFAOYSA-N	249.313	4.559	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCCC[C@@H]1C	71084931	YIZHXKVRUVZTPZ-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)CC1(CN)CCCCC1	71127355	DEVYLDNHXXWGEC-AWEZNQCLSA-N	225.420	4.502	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCCC[C@@H]1C	83948328	GJMHVDDCHRHPEK-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@]1(N)CCC[C@@H](C(C)(C)C)CC1	86956295	RVTTZZXUEHEFQN-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)C1CCC(O)(CCC(C)C)CC1	87163934	NITMWWMQFXJVBZ-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1CC[C@H](CC)C1	88018195	NKNLHLORYXGWOE-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C)Oc1ccc(C=O)cc1C	91873839	YNYYYLJJPOZBAG-AWEZNQCLSA-N	248.366	4.545	0	10	BJAE	
CCC[C@@H](CC)Nc1nc2ccccc2cc1C	104181156	HZRVSSQLVDMVIL-CQSZACIVSA-N	242.366	4.534	0	10	BJAE	
CC/C=C\[C@H](C)Cc1ccc(SC)cc1	107605778	ZASPGMFATCXTLR-FJOGCWAESA-N	220.381	4.553	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@@H]1CCC[C@H](CC)C1	126022550	PENMUBXOYNRYNA-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@H](C)C2CCCCC2)C1	149427406	LFYRDYJSWYAASU-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2c(C)cccc2F)C1	224953504	ALSGHCNYLUWWGG-QWHCGFSZSA-N	235.346	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@@H]2CCCCC2(C)C)C1	226788614	QCEPDPKJECNZMK-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc([C@@H](O)[C@H]2CCCCC2(C)C)c1C	226915558	DYPXMKWESONQLR-HZPDHXFCSA-N	246.394	4.553	0	10	BJAE	
CC[C@H](C)c1ccc2oc([C@H](O)C(C)C)cc2c1	232359361	WMHJXMQUVBWJMI-MEDUHNTESA-N	246.350	4.636	0	10	BJAE	
CC(C)(C)CCc1c[nH]c2ccc(Cl)cc12	232497544	ZPPYTYHOYKYVAT-UHFFFAOYSA-N	235.758	4.800	0	10	BJAE	
CCCN[C@H](CCC(C)C)c1c(C)cccc1C	233162705	FHJGRQLOILZBDR-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
C[C@H]1C[C@H](c2ccc3c(c2)CCCN3)CC[C@H]1C	235387107	IQFPNOVPDHTQIV-HZSPNIEDSA-N	243.394	4.584	0	10	BJAE	
Cc1cc(C)c2[nH]cc(CC3CCCCC3)c2c1	235984056	DVWFZROGYJERPI-UHFFFAOYSA-N	241.378	4.908	0	10	BJAE	
C[C@H](NC1CCCCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2	251701999	XLCJGOZXECBQNM-JKQORVJESA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(Cl)c1NCCC1CCCC1	300747414	JUWMCTVHCLIJLY-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1c(C)cc(C)cc1C	302282172	BQMDFEBCJGXFCA-GUYCJALGSA-N	247.426	4.699	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)C[C@H](C)CC(C)C	305993980	UAKLBHWDFTVJJF-DJIMGWMZSA-N	248.410	4.613	0	10	BJAE	
Fc1cc(Cl)cc2c(C(F)F)csc12	306845217	GIXUOCHTODKQSV-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
Fc1cccc2c(Cl)c(C(F)F)sc12	307026831	KSJYBHYVWTUMGT-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
Cc1c(Cl)ccc2scc(C(F)F)c12	307188993	SLYSUWQQTFUORS-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC1(CNCC(C)(C)C2=CCCC2)CCCCC1	308758401	RSJVMOBWVVSACQ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1ccsc1C	309397681	INSQUSXYCNIDST-GXTWGEPZSA-N	240.412	4.696	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C[C@@H]1CCC[C@@H](C)C1	310188551	YDNQAZAFXRCSMF-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCCC(=O)C(C)(C)C)C1CCCCC1	310344252	OTXVZQOAIQSBMJ-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C(C)(C)C(C)(C)C	310548431	FOWJLHXRUKVBGW-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCc1ccccc1NC(C1CCC1)C1CCC1	310663966	FUIWXHAWRGTXKP-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
Cc1cccc(C(=O)C[C@H](C)C2CCCCC2)c1	311184277	AEGOMPJLOSDXGQ-AWEZNQCLSA-N	244.378	4.784	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(C)CCC[C@]1(C)O	313179075	RTXSSRRRDFBULP-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)C(CC)(CC)CNCC(C)C	319090980	CKDPPICKPPXINF-GJZGRUSLSA-N	241.463	4.721	0	10	BJAE	
CCN[C@H](C)C[C@H](C)CC/C=C/c1ccccc1	324150747	OLNHQEDTODVDDH-LXUUZPSESA-N	245.410	4.504	0	10	BJAE	
C[C@H]1CC(N[C@H]2CCCC23CCCC3)C[C@H](C)C1	328312095	XCWYSEUALFHXGJ-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1[C@@](C)(O)CCCCCC(C)C	383583714	WMQKWOKDRUDDFO-KRWDZBQOSA-N	248.410	4.809	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)(C)C)[C@H](C)CC(C)C	383753809	COWSGCPBPLBTNW-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C[C@@H]1CCC[C@H](C)C1	383757201	DDOGLLSTTKVQPA-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCCC1(C)C)c1ccccc1	384684135	AZNOAAWFPHAFHW-DZGCQCFKSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(c2ccccc2C(C)C)C1	385730841	OPTCTUZERAKYTO-RHSMWYFYSA-N	246.394	4.598	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@@H]1CCC[C@H](C)C1	386597983	GLOUKRVSPFWWFY-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)c1ccc(C)cc1	391160121	MRCQKFWUZGDKAW-HNNXBMFYSA-N	247.426	4.862	0	10	BJAE	
CC[C@](O)(CC1CCC(C)(C)CC1)C(C)(C)C	395445612	VHGKOTXGZMSFAU-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@](O)(CCC1CCCC1)[C@H]1CC1(C)C	397603060	GNNIRWIOSCSNAT-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCCN[C@H](C)c1c(C)cc(C)cc1C	397780268	VQJFQIWFBGFVLE-MRXNPFEDSA-N	245.410	4.619	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)[C@@H](C)C(C)(C)C)c1C	399219644	YCBDHDBXXNKGAA-GDBMZVCRSA-N	247.426	4.602	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC=CCC1)C1CCCCCC1	402147195	LCPOFSSUCWHLNW-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C[C@@H]1CC=CCC1	402209842	MHBKZGYXMNYRHL-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C1(C)CCCC1	405726702	KEPKGTFFNBRIHO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CC(C)(C)C1CC1	405727872	KSFXMNHKMBNOSL-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC([C@H](O)CCCC2CC2)CC1	405954260	JCXWCQXPKPJNHE-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCCC1(/C=C(/CNCC)C2CCCCC2)CC1	687562627	VGIHJVYABYBXKV-SSZFMOIBSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1ccc(F)cc1	691167327	OQZUZQCHWFHOBV-IUODEOHRSA-N	235.346	4.597	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@]12CCCC[C@H]1C2	693169499	FQMMDOSKCVUSMZ-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1N[C@H]1CCC12CCCCC2	693800979	BOLJAMYVLXPHQV-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)c1cccc(C(C)C)c1	701548579	IZGHJALAGXLBEL-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@@]1(C)C[C@H]1C	704315042	UHSINVMXXCHACJ-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCC12CCCC2	705076661	GFZVYGPFDCVIEE-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
C[C@H](C[C@H](N)CC(C)(C)C1CC1)CC(C)(C)C	709090935	QMLRTFKEESSPBO-OCCSQVGLSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@@H](C)CC(C)(C)C	709139700	JGCLCLJVUXHEIP-HZSPNIEDSA-N	227.436	4.602	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1CC12CCCCC2	709727260	RLERKECEYAVYBX-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
C[C@H](CC1CCC1)NC1CCC(C2CCC2)CC1	710006968	XDJSGRVWGOPTFO-NVPAJSRCSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](CCC(C)(C)CC)CNCC(C)C	711246620	QAXDIFVTUHRKGQ-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@@H](C)C(C)(C)C	711250761	AUFPPITUSYTIRW-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H]1CC[C@@H](C)C1	713176066	UIOAQCWHHKTQOZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)CC(C)(C)CC	713191945	CVVKMTGGYPTDMB-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CCCC[C@@H]1C(C)(C)C	713239667	AJNZZACHWPJICP-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCNC[C@@]1(CC(C)(C)CC)CCCC[C@@H]1C	713334544	GIHBPOZWMYAZBE-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1cc(C)cc(F)c1	718526393	LVUUUFQSNFQOPK-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1cc(C)c(C)s1	718599086	HMSZHYCYWZSUNR-ZDUSSCGKSA-N	238.396	4.535	0	10	BJAE	
CC(C)=C(C)CCc1ccc(C)c(Cl)c1	718773931	QFUQPZBRMBAEBU-UHFFFAOYSA-N	222.759	4.937	0	10	BJAE	
CCCNC[C@@]1([C@H](C)CC)CCC=CCCC1	719021515	WWYJBZRFYFYPFY-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)C1(C)CCC1	720738957	OXGLNFMTXRDMSM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC12CC2)C1CCCCCCC1	722634802	YJBUPIOQLFGRTD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)C[C@H](C)CC(C)(C)C)C1	1657093691	PUHBDUHZFJFBBO-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
CCC(CC)CC[C@@H](N)C[C@H](C)C(C)(C)C	1900695097	FEFKEBFDNFMBFM-GXTWGEPZSA-N	227.436	4.602	0	10	BJAE	
CC(=CCC(C)(C)CCN)CCCC(C)C	1900852671	YSTAKKRAAZJMTB-UHFFFAOYSA-N	225.420	4.524	0	10	BJAE	
CCC[C@H](C)c1nc([C@H]2CC23CCC3)cs1	1903456542	NVWUFTSWWOLYIS-WDEREUQCSA-N	235.396	4.704	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCCC[C@H]1C	1905373528	HEXBIVBJQHWOBM-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1(CCC)CCC1	1905435377	QKUITHDTGWBHSS-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CC=CCC1(CNC(C)(C)C)CCC(C)CC1	1911878799	WVWSNMBYUIYPFB-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C)C(C)=CC1(C)CCCCCC1	1912029002	YOYRLNDPTVKBRW-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCCC23CCC3)CC1	1921500928	YRZDTPNVWLTPME-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cc(C)ccc1Cl	1925509623	YUCMTGUFEBNYRQ-YGRLFVJLSA-N	240.774	4.508	0	10	BJAE	
C1=C[C@@H](Cc2cccc(C3CC3)c2)CCCC1	1925878382	ANMCIICVBWZXPQ-CQSZACIVSA-N	226.363	4.853	0	10	BJAE	
C1=C[C@H](CNc2cccc(C3CC3)c2)CCCC1	1925890584	MMXQMDIFSJIQIK-AWEZNQCLSA-N	241.378	4.722	0	10	BJAE	
CC1(C)CC[C@H](CN)[C@H](C[C@H]2C=CCCCC2)C1	1925892591	OQTQVKRSAVJNCG-ARFHVFGLSA-N	249.442	4.524	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H]1C=CCCCC1	1925899947	ARGUUWSILAUHGG-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@](O)(C[C@H]1C=CCCCC1)C(C)(C)C	1925946815	WJKRUCBJJXVZOI-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CCC1=CCCCC1	1941245219	GBEXMKOYOIYKIL-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)CC1(CNC(C)(C)C)CC(C)(C)C1	1941982133	OIBGIEKWVOQKNB-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1(C)CC(C)(C)C1	1941987642	MBXVBYHVTIHKGV-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CNCC(C)C)[C@@H](C)CCC(C)C	1942658838	QIAVEOGIHPFIDL-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CCCN[C@H]([C@@H](C)[C@@H](C)CC)C(C)(C)C(C)C	1944681190	SIYAGQREZQDUPY-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H]1C)[C@H](C)CCC	1944818036	CKIDPAIDANNHTE-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCCC1(NC[C@@H](C)C2CCCCC2)CCC1	1945283390	WLVSKWIUFBWOOT-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@H](C)CC(C)C)c1C	1948324436	ZJVYHAIZSOEXCN-UKRRQHHQSA-N	233.399	4.786	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CCC(C)(C)CC	1949012939	DLBTXKKRTMZNJH-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)CC1CC2(CCC2)C1	1949732005	BCVLNZXVGFOEEY-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(CC(=O)CCC[C@H]2CC2(C)C)C1	1949734581	RSVYWWGQUVDZEG-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)CN1CCC12CCCCC2	1969769182	CVCAHYFWBCCCKI-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1Nc1cccc(C2CC2)c1	1972458780	FQSWOMKAOWRHMH-SJORKVTESA-N	243.394	4.801	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)C[C@H](C)CC	1978638799	NIVLCHULEYDQOJ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
C/C=C/CCCC(=O)c1ccc(Cl)cc1C	1984575168	IYENKPPBTMMJTO-ONEGZZNKSA-N	236.742	4.578	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cccc(C)c1C	1989819546	STTPJEXXYCFEFD-CYBMUJFWSA-N	219.372	4.540	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)[C@@H](C)CCC(C)C	1990904793	XQZWZBKURBHEDX-UONOGXRCSA-N	227.436	4.568	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@@H](C)CC)s1	1991779308	ZTUVGIWWHDKGKH-NSHDSACASA-N	238.396	4.710	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H](N)C2CCCCCCC2)C1	1996236547	HAFQUSNRYVTAEX-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCCCN[C@H](CC)C1CCC(C)(C)CC1	1996595350	VEUOUDUKQAESQS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](O)(C[C@H]1CCC=CCCC1)C(C)(C)C	2000011778	PTNPVUZGTZRDMY-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)[C@@H]1CCCC(C)(C)C1	2000161010	BSVBKALWUBZEFQ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](O)CC[C@@]1(C)CCCCC1(F)F	2002575078	ALJIHWPIHCBGMS-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCC1CCC(C=C(C)CNC(C)(C)C)CC1	2002882936	LBVOGLFLKPJISC-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCNC1CCCCCCCC1	2003101375	USFVTKZUJUTGON-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCC[C@@H](C)CC1	2004711792	NKUPPBUELDSEAJ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@@H](NCC2(C)CCCCCC2)C1	2004937068	JSJVPMRHVQZBDM-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](CC)C[C@H](NCC)C1	2006630312	IFQXTMRKVOMGCP-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2CC[C@@H](C)C2)CC1	2007681314	JCJBCGYQDYQUOO-IQXANGCESA-N	236.399	4.598	0	10	BJAE	
CC1([C@@H](O)C=C2CCCCC2)CCCCCC1	2007920377	HYYIETITYQJIES-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@H](O)C=C1CCCCC1)CC(C)(C)C	2007924123	XUFBBQBZOAJJQU-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CCCCCCN1CCCCCC1CC1	2008101857	KKPXIJFSNPKHBA-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1C[C@H](C)C1CCCCC1	2009238379	UUYOOWQYQWNMTC-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCN[C@H](C)[C@H]1CCCC(C)(C)C1	2009596465	QZPWPVOUKHWART-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C(C)(C)C(C)(C)C	2009618659	DSEIMDXFVOPKDG-PLWJUESGSA-N	239.447	4.783	0	10	BJAE	
C=C=CCCC[C@H](NCC)c1cccc(Cl)c1	2010994965	KYYKUPXKEBOJEF-HNNXBMFYSA-N	249.785	4.502	0	10	BJAE	
C[C@H]1C[C@@H]1CCC[C@H](N)C1CCCCCCC1	2011567990	HIVPOJIIQFHBEH-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(N)(CCC[C@H]1C[C@@H]1C)CC(C)C	2011580311	BHCWBQXRDVKPQA-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H]1C[C@@H](NCCC)CC2(CCC2)C1	2012042073	QOHOQUKMIFQDDO-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H]1C[C@H](NC)CC2(CCC2)C1	2012066218	YCBWFBLYEMWVNS-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CC(=O)C(F)(F)C1CCCCC1	2012958947	UQBLDQQDMWKOLC-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCC1([C@H](O)CCC2=CCCCC2)CCC1	2015638706	XPKIRBDOFLVREW-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1(CC2CC2)CCC1	2015743225	RYKWXOCNMUKVOR-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](CC(C)(C)C)NC)CC1	2017727833	FBJGASVGKZWOCY-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1CCC1)CC1(CC)CC1	2018999190	JMUXSHBNKHYRGP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(C[C@H]2CCCC(C)(C)[C@H]2N)CCCCC1	2020361358	OXQRNEXITPTXBB-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC=C(CC)[C@@](C)(O)C1CCC(CCC)CC1	2020974749	UCJXWKUPSQLSQY-AVVWSFFYSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)C[C@@H](C)CC(C)(C)C	2022490967	XLNKZGWTVXPUGA-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1C[C@@H]1Cn1ccc2cc(Cl)ccc21	2022550645	XQIAJXOSIHGPKZ-DGCLKSJQSA-N	247.769	4.731	0	10	BJAE	
CC(F)(F)CCC[C@H](O)CC1(C)CCCCC1	2023303090	ZKRXAVOLZNJMBR-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C)c1csc(-c2cccc(F)c2C)n1	2024008702	NLFYKQSODPURBH-VIFPVBQESA-N	249.354	4.771	0	10	BJAE	
Cc1ccc(C[C@@H]2C=CCCCC2)c(F)c1C	2024318081	RAOGETFSUOLVAY-CQSZACIVSA-N	232.342	4.731	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@H](C(C)C)C2)c1	2025572030	MUNCQFYYXVNQFU-LSDHHAIUSA-N	231.383	4.540	0	10	BJAE	
CCc1ccc([C@H](O)CC2(C)CCCCC2)cc1	2027310379	ADNGASVWOAJIOG-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CC1(CC[C@H](O)c2ccccc2C2CCC2)CC1	2027736148	MDZJDUYTXHWDEZ-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CN[C@@H](c1cc(C)cc(C)c1)[C@@H](C)CCC(C)C	2029827366	XENJQUHSTZOQID-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CN[C@@H](C[C@H](C)C1CC1)c1cccc(C(C)C)c1	2032155032	VXCOUUJZTDHDSY-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CC1(C)C[C@H]1CCCN1CCCCC12CCCC2	2032667681	QKYLIBJJGVHUPI-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)C[C@@H]1[C@@]1(N)CCCC[C@H]1C1CCCCC1	2033629513	BLPDJGBTPQVQFM-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@]1(C)CN[C@@H]1CCCC2(CCCC2)C1	2034363341	LTONDFHTWFEMMM-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C[C@@H]1C=CCC1	2035597831	HUCVGKSPYPXEEV-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@](N)(C1CCCCCC1)C2	2036660865	MGDWEZKZCSBRLW-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCCC[C@H]1n1ccnc1C1CCCCC1	2036775367	DOXGRBAECRQVDM-DZGCQCFKSA-N	246.398	4.682	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)C1=CCCCCCC1	2037076104	RPAQGKXKNUDDKV-UAGQMJEPSA-N	249.442	4.811	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@H](C)c1ccccc1	2037116029	PRUCZQYBWIECPL-GDBMZVCRSA-N	247.426	4.724	0	10	BJAE	
N[C@]1(C[C@@H]2C=CCCCC2)CCCC12CCCC2	2037273068	LNOJJIGSOFDMJI-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CC[C@](N)([C@@H]2CCC3(CCCC3)C2)[C@H](C)C1	2037585021	OTYLLYKGTMTBQJ-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)[C@@H]1CCC2(CCCC2)C1	2037679642	SSWKTNMKURTKRE-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC[C@@H](C)C1)c1ccccc1	2037700276	FOLMYGVQTBTTMP-HLLBOEOZSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N)(C[C@@H]1CC1(C)C)C2	2038895442	PUZHBDRBXGLLTA-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
O[C@H](CCC1=CCCCC1)[C@@H]1CC12CCCCC2	2039006479	QDIDUZTZWLIHDM-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@@H]1C=CCCCC1)c1cccc(C)c1	2039031755	HRFTWWREYMWCPR-SJORKVTESA-N	243.394	4.535	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1cc(F)ccc1C	2039446816	IVSWAXTWKBWOTO-IUODEOHRSA-N	247.357	4.538	0	10	BJAE	
C[C@H](N[C@H]1C=CCCCCC1)C1(C)CCCCC1	2039850434	SVYRYYZIYOSYRM-HOTGVXAUSA-N	249.442	4.824	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2ccccc2F)CC1	2041384797	WXGVSADZYQNKGW-QWHCGFSZSA-N	248.341	4.615	0	10	BJAE	
CCCNC[C@@]1(CC2CC(C)(C)C2)CC=CCC1	2042093480	HQXIYZWYYLLWJV-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)[C@@H]1C=CCCC1	2043187786	OJTLIYXRQTWTKV-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1C[C@H](C)N(C[C@H]2CCC=CCCC2)[C@@H](C)C1	2045312748	QHFHWCIUTMMLKZ-ULQDDVLXSA-N	249.442	4.632	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@@]1(C)C[C@H]1C	2045329477	OJSNYPNEFDVUEE-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC[C@H]1CCC=CCCC1)c1ccccc1	2045332005	KVIXMIMEADOEEF-RDJZCZTQSA-N	243.394	4.603	0	10	BJAE	
O[C@]1(C[C@@H]2CCC=CCCC2)CCCC12CCC2	2045345428	JJRJAMSOFKFBDG-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)[C@@H]2CCC23CCCCC3)C1	2045520421	OQHQRYYFUXGGDX-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CC1(C(=O)CCc2ccccc2)CCCCCC1	2045609691	IHUKBPCWXYKPQR-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)c1cc(C)cc(C)c1	2045727307	JUNPPJULXHKFOI-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C[C@@H](C)c1ccccc1	2045740317	GYBXSVRQXWLVHL-WBVHZDCISA-N	245.410	4.515	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)[C@@H]1C=CCCC1	2045981573	NXIHKJGWLQEYTK-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1CC(CC(=O)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2047424602	MSBCOAKKWAVOAW-SVXVCFNTSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1CCC12CCC2	2047929896	UKNJNLJVYGZJAE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@](CN)([C@H]2C=CCCCCC2)C1	2049491616	AYKMXXSOSCIFAJ-RDJZCZTQSA-N	249.442	4.668	0	10	BJAE	
CC1CCC(C(=O)CC2CCC3(CC2)CC3)CC1	2049947627	IHSFRDIBPNCQSC-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2C[C@H]3CC[C@H]2C3)CC1	2051594715	KOAFLWCPUFKHMP-CGLCSIQHSA-N	249.442	4.501	0	10	BJAE	
CCCCCC(=O)Cc1ccccc1C(C)(C)C	2053969725	LFKUGAYGALWEDU-UHFFFAOYSA-N	246.394	4.676	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@H]1Nc1ccc(CF)cc1	2055671932	NIKMGSPVORHWHU-SWLSCSKDSA-N	249.373	4.783	0	10	BJAE	
CCN[C@H](C=C1CCCC1)C1C[C@@H](C)C[C@H](C)C1	2056873629	PEESZBRNARXJQV-GRDNDAEWSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@@H]2C=CCCC2)[C@@H]1CC	2058729724	ZPMZYLWAUFPNFY-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(N[C@@H](CC)c2cccc(C)c2)C1	2059494022	SYUNWYSPWZSAQU-PREGVCBESA-N	245.410	4.614	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H]1CCCC(C)(C)C1	2061560463	GKINFMDREPBMQM-HOTGVXAUSA-N	249.442	4.692	0	10	BJAE	
C=C=CCC[C@@]1(CNCC(C)C)CC[C@@H](CC)C1	2061565792	GHKJRMRTLZZVST-IAGOWNOFSA-N	249.442	4.550	0	10	BJAE	
CCC[C@H](CCCC1CC(=C2CCC2)C1)NCC	2061728891	POTHRAUONAVXIP-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@@H]1C1CCC2(CC1)CC2	2062819838	QXUNAYHEOJCHBK-BMFZPTHFSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C2CC3(C2)CC(C)(C)C3)C1	2063798620	OEAWYWCQDJRODW-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@H](C)c1ccccc1	2065992560	JRJZUNOQLGWHCJ-WBVHZDCISA-N	247.426	4.724	0	10	BJAE	
CC[C@@](N)(CCC(C)C)c1cccc(C2CC2)c1	2065992953	NPVIJXSUTZJZKG-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@]2(C(C)C)C[C@@H]12	2070412434	CBAUKWSPSDYKAT-MWDXBVQZSA-N	249.442	4.536	0	10	BJAE	
CCCC1CCC(C[C@]2(N)C=CCC[C@H]2C)CC1	2072880768	ZOVRJXZLEPKGOR-RDHHWEPZSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@H]2C[C@@H]2C2CC2)CC1	2072880823	AIDWNZDVHCXQHZ-GZIXRCOHSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CC2(N)C[C@H]3CCCCC[C@@H]3C2)CC1	2074628318	DHJYBZITULXMRP-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCCN([C@H]2CCC23CCCCC3)C1	2075017286	TVLCNQXZNMSVDV-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC1CCC(N2CC[C@H](C)c3ccccc32)CC1	2075117548	DZCDLSHECSCXPJ-SLTAFYQDSA-N	243.394	4.579	0	10	BJAE	
CCCCc1ccc([C@@H](C)C[C@@H](C)NCC)cc1	2077920543	LZGDUUIHEYNLBI-LSDHHAIUSA-N	247.426	4.521	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2C[C@H]2C2CCCC2)CC1	2079492218	PDKAMYUERDBVKI-FPCDFSMTSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)ccc1NCCC(C)(C)C1CC1	2081947513	TVZRSUXGHUBZBF-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
CCC[C@@H]1CCC[C@@]2(CC1)C[C@@H]2CNC1CCC1	2083186690	CEMMMAXABWEUKA-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)NC1C2(CCC2)C12CCC2	2083558883	KVMDDBSUTMYANZ-AWEZNQCLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H]1CCCNC12CCCCC2	2083808881	KEUFFYRIKBGFSK-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCCCC1CC1)CC1(F)CCC1	2213580133	XJKQKHZUJIJVMC-UHFFFAOYSA-N	240.362	4.588	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)CC1(C)CC(C)(C)C1	2215382754	HCHDEGBDHQYPAV-BBRMVZONSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC1(C)CC(C)(C)C1	2215384182	DEPRAMMPDPSFNB-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCC[C@H](C(C)(C)C)C1	2216253522	SKXWCFXBTNCPKW-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@@H](C)CC(C)C	2217159020	JGTLHUMXQYZKKO-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
FC1CC(CCNc2ccc(C3CCC3)cc2)C1	2220655820	FGDZODJYQWJHGA-UHFFFAOYSA-N	247.357	4.504	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1(C)CC2(CCC2)C1	2221005438	SJLNWEJOCATNOG-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@@H]1C)[C@]1(C)CC=C(C)CC1	2221627851	BOKYTTGDROQHTR-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@@H]1C)[C@@]1(C)CC=C(C)CC1	2221627852	BOKYTTGDROQHTR-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCC(C)C)c1cccc2ccoc12	2224198325	PEFHXQDHZRWNHG-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CCC(C)(C)C(=O)CCCCC[C@@H]1C[C@@H]1C	2243877240	KYUCQDZTRZOFAB-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)C(C)(C)C	2244844668	DIHUGLMWJTWOHF-ZIAGYGMSSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC[C@H](N)C2CCCC2)C1	2246657277	RBUUEYHNQAELLW-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC[C@H]1CCC[C@@H](C)C1)NC	2246727143	OAKRVEGBBHBBNV-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC1CC2(CCCC2)C1	2246820723	QCPXECGCBOKSSR-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@](O)(C[C@H]2CCC2(C)C)CC1	2247415155	NELLWTIXPYKDJK-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](NC(C(C)(C)C)C(C)(C)C)C1CC1	2247723335	QWZXCIWMZYUXNE-CYBMUJFWSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H]1CCCCCC1=O	2248866937	SGWSOMXZKOCMER-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CC2(CC(C)C2)C1	2250371188	DEISCGQCQQZPIQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1(C[C@]2(N)CC(C)(C)CCC2(C)C)CC1	2251665522	LMDWAKUFEYYXEQ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC1CC(CCC(=O)CCCC[C@@H]2C[C@@H]2C)C1	2251760475	DDECZYKDTLWFBE-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
O=C(CC1CCCC1)c1ccc2ccsc2c1	2253089312	IGYQJSHQSWMRGG-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
O=C1CCCCC[C@H]1CC[C@H]1CCCCC12CC2	2253810742	NSARMAMREBPUMX-LSDHHAIUSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NCC[C@@H]1CCCCC12CC2	2253877440	FCFSYFMEQWZLLM-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@@H]2CCC2(C)C)cc1	2254970870	XVIDFCLJOTZLSQ-AWEZNQCLSA-N	245.410	4.832	0	10	BJAE	
N[C@H](CC1=CCCCC1)C[C@H]1CCCCC12CC2	2255065480	VZDGDIHZTATXTQ-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CNCC1(CC[C@H]2CCCC23CC3)CCCCC1	2255261441	OGVCQZVKXSCWTA-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCc1ccc([C@H](O)C2=CCCCCC2)cc1	2256319215	YWOUNFBKSJQVMK-QGZVFWFLSA-N	244.378	4.563	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1(N)C[C@H]2CCC[C@@H]2C1	2257317671	YWVKCZNGJHIQJE-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CNc1cccc(C(C)(C)C)c1	2257904794	DCFYGLZVBYJNFR-BBRMVZONSA-N	245.410	4.688	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cc(C)c(C)c(C)c2)o1	2258247057	PRMBLRBNNDISOM-CQSZACIVSA-N	243.350	4.686	0	10	BJAE	
O=C(CCC1CCCCC1)[C@]12CCCC[C@@H]1CC2	2260523399	CVYAAQONELCVEO-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CC1(CN[C@@]23CCCC[C@H]2CC3)CCCCCC1	2260617185	JGCXJUZWPSLALM-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)C[C@@]12CCC[C@@H]1CC2	2298707725	VYOKEPROQXZVHW-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)C(=O)C(CC1CC1)CC1CC1	2298887614	BNNBBPOSDXMDLT-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@H](O)c1ccc(C)c(C)c1	2300678724	MYJPKFKRNMZJSM-INIZCTEOSA-N	234.383	4.553	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)CCC1(C)CC1	2300683005	FKGWGJZMYANEKM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCNC[C@]1(CCC(CC)CC)CCC[C@@H]1C	2300702339	WLJXTCZPUBDBIL-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)=CCNc1cc(C2CC2)ccc1Cl	2300867379	LHJMXNZFMVRUOC-UHFFFAOYSA-N	249.785	4.986	0	10	BJAE	
CCCCc1ccc(-c2scnc2CC)cc1	2301773858	RAJYCQKMBRWDDK-UHFFFAOYSA-N	245.391	4.715	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@@H](C)[C@H](C)C(C)C	2301961829	OAKNDGMWOMBGID-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@H]2CCC(C)(C)C2)C1	2302747960	JFGIQJDYLWWSHX-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1NC[C@@H]1C[C@H]1C1CCCC1	2302883693	ZLDMYQDKWDMTNP-KBPBESRZSA-N	249.423	4.549	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](O)C(C)(C)C(C)(C)C)C1	2302897331	YYVRNOGXOIFIHX-STQMWFEESA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CC[C@H]1C(C)(C)C	2303449913	NLUFHCYSJREZFG-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@@H]1CCC(C)=C(C)C1	2303520108	AECXFIOGXQXTJT-PMPSAXMXSA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@H](CCC[C@H](N)C(C)(C)C)CC1	2303574945	FGLCQNDVMLKNOK-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)CC[C@H]1CCC(C)(C)C1	2304358325	GWUACGMPZUUVCT-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CN)CC12CCCCC2	2307845787	VCJRNBBQIQRYSF-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)[C@@H]1CCC[C@H](C)C1	2307893724	JINFZVBGLWWAHP-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C[C@@H](C)CC(C)(C)C	2307896207	YQSPZMDOMSEKNS-QLFBSQMISA-N	241.463	4.993	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C12CCCC1CCC2	2307910598	OPXHKPVQFACEMS-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CC[C@H]2C[C@@H]2CC1	2307923241	IOKWIFBUQXPHBI-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@H](NCCCC1CCC1)C2	2308399940	GXBDPSNWWFPCCM-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)C[C@@H]1C[C@H]1C(C)C	2311611270	RRDXYPFITFHNSY-WBTNSWJXSA-N	249.442	4.523	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)C[C@@]23CCC[C@@H]2CC3)C1	2313343964	LFXPKGDWSYDYKO-MMTVNHQJSA-N	246.394	4.518	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@@]12CCC[C@@H]1CC2	2313347729	UTHDHTSQSPLDTR-UXLLHSPISA-N	248.410	4.886	0	10	BJAE	
C[C@H](CC1CCC1)N1CCCCC12CCCCC2	2313639218	QRMYLXMDCLPCIM-OAHLLOKOSA-N	249.442	4.754	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)c1ccc(C)c(CC)c1	2314714348	YPWRYPSTPYAEQZ-WMLDXEAASA-N	247.426	4.644	0	10	BJAE	
CC(=CCN[C@]1(C)CC=CCC1)CCCC(C)C	2316491218	OVJAXWWHEDBKTH-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CC=CC[C@H](NCCC)c1cc(C)c(C)cc1C	2316502456	KMCRLAXAVGOEIM-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
CN[C@H](CC=C(C)CCCC(C)C)[C@@H]1CC12CC2	2316551398	JRIJIISZUGSOTO-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2316556915	IUILPUYUEJDTAP-JYJNAYRXSA-N	248.410	4.908	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317121504	LXKLWLZLZPFGDE-QBPKDAKJSA-N	249.442	4.536	0	10	BJAE	
CCCc1ccc([C@H](O)[C@@H](C)[C@@H](C)C(C)C)cc1	2317826655	GJSZGGFLKLFXKF-GRDNDAEWSA-N	248.410	4.601	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)C12CCC(CC1)C2	2318570501	XXYXXBYBIUNWMF-CGZBRXJRSA-N	247.426	4.565	0	10	BJAE	
C1=C(CCCC2(CNC3CC3)CCC2)CCCC1	2318592263	HBXSIQDLCWHJOH-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC1CC(CCC(=O)CC[C@H]2CC[C@H]2C2CC2)C1	2319694074	VGFUHGIIBVTDDS-ITMHDFIRSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC(=O)C[C@@]12CCC[C@@H]1C2	2320227443	ZGFYOQXXSCUGGA-YXPYIKCWSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CN2CC(C)(C)CC[C@H]2C)CC1	2320387283	FOZPNDLJUZUYMW-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1C[C@@H]1CCC(C)=C(C)C1	2320397596	MWMDCGSALYHKGB-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H](C)N(C)Cc1cccc(C(C)C)c1	2320647598	BSZPOUXRFOFVNC-HNNXBMFYSA-N	247.426	4.676	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)CC2CCCC2)c1	2327675664	OJNOTMRHZIKKQT-KRWDZBQOSA-N	246.394	4.732	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)CC[C@@H]2C[C@H]2C)c1	2327783043	YAJQQCSMGXQEEW-CKEIUWERSA-N	246.394	4.588	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H]2CCCCC(=O)C2)c1	2327793438	BMGRSUAIPIELJI-AWEZNQCLSA-N	244.378	4.735	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)C[C@H](C)c2ccccc21	2328187748	HVSBGGIEBVFHCE-ZQIUZPCESA-N	245.410	4.564	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)c1cc(C)ccc1C	2328283666	ZHROKOVJKYSUNB-WBVHZDCISA-N	247.426	4.694	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc2ncccc12	22153118	VPEKANRGHOSTMF-CYBMUJFWSA-N	242.366	4.616	0	10	BJAE	
CC[C@@H](C)c1ccc(NC2CCCCC2)cc1	36953516	DMIXVRPNBGXVFD-CYBMUJFWSA-N	231.383	4.945	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)c1ccsc1	50341336	QACHEGVLBPWZHE-LBPRGKRZSA-N	245.391	4.874	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1N	82434154	USTGWWZAZQNSFS-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CSCC(C)C	83491343	HTUCVAOBVNOYGU-ZDUSSCGKSA-N	244.444	4.551	0	10	BJAE	
CCCc1ccc(NC2C[C@@H](C)C[C@H](C)C2)cc1	84462976	KHGBTOSLDQHTLF-KBPBESRZSA-N	245.410	4.876	0	10	BJAE	
CC[C@@H](Nc1cc(C)cc(F)c1)c1cccs1	91510597	IBVZTNQHMHFOCN-CYBMUJFWSA-N	249.354	4.759	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCCC1(C)C	94277924	CMXBZYRKNIJRDM-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CC(C)CCCN[C@H](CC(C)C)c1ccccc1	103982172	QXUFYZZPJNYPRV-QGZVFWFLSA-N	247.426	4.800	0	10	BJAE	
CC[C@H](CCC(C)=O)c1ccc(C(C)C)cc1	107634886	VDGBYSRMBCGLMN-CQSZACIVSA-N	232.367	4.673	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1	109786741	WSWPPJOZVFRJDP-GKLJAUDBSA-N	243.394	4.801	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCC1CCC(C)CC1	109963491	COHRQZZEURISRU-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Sc1ccc(C)cc1N	111744537	YJUXJKGWDKUEIZ-JSGCOSHPSA-N	249.423	4.638	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC(CC)CC)CC1	124840441	YOQSTJAPDBDUKE-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CC1CCCC1)C1CCCCCCC1	126455161	WJIUXVHJTGEDPC-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)c1csc(-c2cccc(C)c2)n1	132220205	DYQLMHVQEUXBEY-LLVKDONJSA-N	231.364	4.632	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)c1cccc(C)c1C	162369605	JBNCNRDJVXFUTD-CXAGYDPISA-N	247.426	4.780	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)c1ccccc1	166181844	WPJKFXSGHDCAAJ-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CCc1ccccc1C(=O)[C@H]1CCC[C@H](CC)C1	166286206	MDHQJHTULULDJY-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](CCCC(C)C)C1	221694139	BJUMLAGMFLDZHT-PMPSAXMXSA-N	239.447	4.604	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](O)c1cc(C)ccc1C	225400084	AYADCEQLPYIFSV-ZMSDIMECSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CC[C@@H](CC)C1	227227106	JZGMUYLRYRCXAH-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCCCNC1CC(C(C)C)C1	232602931	YJSBBNOVIJZLRI-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1ccc(Cl)o1	233008831	ZNLDEPLAPKPKSP-GHMZBOCLSA-N	244.762	4.573	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc2c1CCCC2	233285547	OKRRASFSFUWATA-CQSZACIVSA-N	231.383	4.556	0	10	BJAE	
CC[C@H](c1c[nH]c2c(C)cc(C)cc12)C(C)C	233821410	ISYDDUSEWYUISQ-ZDUSSCGKSA-N	229.367	4.934	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C2=CCCCCC2)cc1C	235839414	FIMVRKURVVIUNG-KRWDZBQOSA-N	244.378	4.536	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@H](C)CC(C)C	302307891	IALXMNKGGFHZEO-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CSc1c(S)c(Cl)cc2sccc12	306572214	AQIHWGYFMHBTJV-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCOc1cc2cc(Cl)cc(Cl)c2s1	306955856	BKPHLYIUUNXZKA-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)c1cccc(CC)c1	308041220	AJAWQQQPGAWRAQ-RDJZCZTQSA-N	247.426	4.711	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1ccccc1C	308110031	MTZITYCRIYFQFY-CQSZACIVSA-N	232.367	4.640	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)C1(CCC)CC1	310137870	BLYHDLWVJIJSNI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@](C)(CNC(C)C)C[C@@H]1CCC[C@H](C)C1	310162652	RNUIUANYSNRCBB-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1(CO)CCCCC1)C1CCCCC1	310371412	XWONEVTXOAPZQH-CQSZACIVSA-N	238.415	4.536	0	10	BJAE	
CC1(C)CCC(C[C@]2(O)CCCC2(C)C)CC1	310419651	NWBNRHLBOMWERX-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@H]1CCC[C@H](C)C1	310811470	ZSJNZHLDKBMLPE-DZGCQCFKSA-N	241.378	4.776	0	10	BJAE	
CCCc1ccc([C@@H](N)C(C)(C)C(C)(C)C)cc1	311108501	VYULMMHKRSYUOC-OAHLLOKOSA-N	247.426	4.711	0	10	BJAE	
CCC[C@H](N[C@@H]1CC12CCCCC2)C1CCCC1	313391671	CHJOEBVPXVHNHB-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](N[C@@H](CC)CC1CC1)C1CCCC1	313445407	QCEGDMCPCGUBEY-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC(C)(C)C)(C(C)C)C1	317762838	AFTVOVXABBBTQI-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@]1(CNC2CC2)CCC[C@H]1C	317984948	QYXLWZSCUDZWQE-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@@](CNC2CC2)(CC2(C)CCC2)C1	318189118	KLNIDAWAFVCYLF-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C(C)(C)C2CCC2)cc1	322688788	NZHHJOCSHKGTMH-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CC3CCC2CC3)CC1	380968376	VRPLILSDAPQKDR-CKUJCDMFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCCCCC(C)C)C1	383206947	PDUWWNVLPKSAQH-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CCC[C@@H](C)C1)NC	383486720	BSATWDAOUFYHED-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(NCC(C(C)C)C(C)C)c(C)c1	383764288	FJVOKSPCSMCCQF-UHFFFAOYSA-N	233.399	4.644	0	10	BJAE	
CCN[C@H](c1ccc2sccc2c1)C(C)(C)C	386413135	KAFWEXTYDSONQN-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1C[C@@H]1CC(C)C	388023177	OTIUYYUIMJVKRN-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CN[C@@H](C)c2cccc(C)c2)CCC1	391771452	FKDXPZWVSKSFLB-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
CCC[C@H](NCCC1=CCCCC1)[C@H]1CC1(C)C	397605889	BAXPBNBJRBDMBX-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](Nc1ccccc1Cl)[C@H]1CC1(C)C	397864103	YTQZCCMEEUQZRZ-PWSUYJOCSA-N	237.774	4.577	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@H](C)C2CCC2)cc1	398902811	ILTKUFSIFGLRNI-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCCc1cccc([C@H](NC)[C@@H](C)C(C)(C)C)c1	399239507	DPWATVKRMYKVHM-CZUORRHYSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C[C@@H]1CC=CCC1	402346774	QEEGDYBPZBJPAH-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(C)(CC[C@H](O)C1CCCCCC1)C1CC1	406064357	NZGBVBYKSPQRRE-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@H](O)[C@@H]2CCC[C@@H](CC)C2)CCC1	686921756	LTICVVDBDUBKPR-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
N[C@H](CCCC1CCC1)C(C1CCC1)C1CCC1	688419375	ZLGXRDMWOHJZOW-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)CC2CCCC2)C1	689802895	AMTMJNUUPUBUFZ-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CC(C)C(C)(C)CN[C@@H](C)CC1CCCCC1	689830957	JHUWZVPPNQMPGP-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@H](C)CC2)ccc1F	690102761	PWWMTYFFCCCASZ-GXTWGEPZSA-N	249.373	4.769	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@@H](C)CC2)ccc1F	690102767	PWWMTYFFCCCASZ-TZMCWYRMSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CC[C@@H](Nc2cccc(C3CC3)c2)C1	690152327	KEKDJKIRGVWASF-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)C1CC(C)C1	691945569	GJZNURJQNZZDHF-MQBCKMQZSA-N	245.410	4.507	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1C[C@@H](C)CC(C)(C)C1	695099900	QFRIAOYEVKRWSA-HZSPNIEDSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CNC1CC1)C1CCCCCC1	696837364	MSVGAMNUZXTWES-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C/C=C/[C@@H](NCCC)c1ccccc1C(C)(C)C	704640690	WDTQCIVHKNAPNT-VGZDNEPHSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCCC(C)(C)CC2)C1	704898981	ZECRPIVWXVYJGQ-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H](C)CC(C)C	708269142	GYGYQOMBXBYAKM-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CC[C@H](C)CC(C)(C)C)C1CCCC1	709109568	WUHHPTXYQSRFBW-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)NC[C@@H](C[C@H](C)CC(C)(C)C)C(C)C	709123381	KGCNWLDADHZRBX-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(O)CCCCC1(C)C	709262991	VBGIWEPLDJZFSA-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CCCCF)C[C@H](CC)C(C)(C)C	711074211	UEFXEEGHZDZZBJ-KBPBESRZSA-N	245.426	4.567	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1C[C@@H]2CCCC[C@@H]21	712381785	CHNXWESVCHOINF-CORIIIEPSA-N	249.785	4.639	0	10	BJAE	
C1CCC(NC[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1	714421768	BQBLWHOSWFIRNB-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CC(C)(C)CC[C@@H]1C	717532184	KNQGROWSLZFWRS-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C[C@H]2CC[C@H]1C2	720955215	MSLFRXXHZDXZQW-MWDXBVQZSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@@H]2CCC[C@@H]21	722060141	CYNDYCMLZCUYKW-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@]1(O)CC[C@H]2CCCC[C@@H]2C1	723644128	BNSRKCHKDLGNCN-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)CCC=C(C)C	1905435134	PAXSAMVLDPJWDV-HUUCEWRRSA-N	225.420	4.667	0	10	BJAE	
CC(C)C[C@H](C(=O)CCC[C@@H]1C[C@H]1C)C(C)C	1908545157	ONKGXSHETQQCBA-KFWWJZLASA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)C2(C)CCCC2)CC1	1909703849	VMQQZUXDQFYSKT-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(O)(CC(C)C)CC(C)C	1910707149	QHOKZXOWLWZRLA-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1CC2(CCCC2)C1	1912594706	JEQRFCQHBHRHFG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCCCCCCC[C@@H]1NCC	1913423006	HLEFPBATIXWFCN-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CCCC[C@](O)(CC)c1ccccc1C1CCC1	1919477372	HLJQRBIYPQQUAT-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
CC(C)[C@@](O)(CCC1CCCC1)c1ccccc1	1919934061	JODAPNNDJRCRSB-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CCCC1CC(C(=O)c2cccc(C3CC3)c2)C1	1921272264	RRBULSRFZBFCRD-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@@H](c1ccco1)[C@@H](C)C1CCCCC1	1924135263	JHURZNDTQQZHKZ-XJKSGUPXSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cc(C)ccc1Cl	1925509620	YUCMTGUFEBNYRQ-IINYFYTJSA-N	240.774	4.508	0	10	BJAE	
CCC(C)(C)C[C@H](C[C@@H]1C=CCCCC1)NC	1925758387	TXZMGMKKRZRBRX-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@@H]1C=CCCCC1	1925765486	QHWSLYPOKDANAD-CYBMUJFWSA-N	236.399	4.764	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C[C@H]1C=CCCCC1	1925892325	SCWJACDTWZCBBS-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@@H]2C=CCCCC2)CC1	1925945228	KDOBERMFOFRJGM-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)c1cc(C)cs1	1939458473	MCNDJIXNXCJCIJ-GXTWGEPZSA-N	239.428	4.519	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CC(C)(C)CC2(CC2)C1	1943081282	PKUUYERXDKDEFO-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC(C)(C)C)CCCC1(C)C	1944476000	RZMJGEBZHJUFFS-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccccc1C1(C)CC1	1944596021	JVRJBQXJSQAAKH-OLZOCXBDSA-N	231.383	4.585	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1ccc2sccc2c1	1944641409	QOIIIHVPAZPRNO-UHFFFAOYSA-N	246.375	4.766	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@H]1CCC(C)(C)C1	1945584404	FWFFQSJUDITCCN-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CC(C)(CC)C2)CC1	1948393014	QZWVCNRWHMGOFZ-QRNKSROTSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC(CO)(CCC2(C)CCCCC2)C1	1950374326	YTWRAFVRFDNZIL-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H]1CC12CCCCC2	1950612443	MDUUITGGYRNCAC-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)CN(Cc1ccccc1)[C@H](C)CC	1968431714	FFCVXKKZLWKIRA-JKSUJKDBSA-N	247.426	4.723	0	10	BJAE	
Cc1cc(NCC[C@@H]2CCC[C@@H](C)C2)ccc1F	1968591795	NSYWDJBDKGPPJJ-OCCSQVGLSA-N	249.373	4.762	0	10	BJAE	
Cc1cc(NCC[C@H]2CCC[C@@H](C)C2)ccc1F	1968591796	NSYWDJBDKGPPJJ-TZMCWYRMSA-N	249.373	4.762	0	10	BJAE	
CC[C@@H](NCC1(C2CC2)CCC1)C1CCCCC1	1971681486	LWTPOFNOJLXDLZ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCCCCCC1=O	1980319467	RCSJTTITDKKNJG-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CCCCCCC(=O)C1(C)CCC(C)CC1	1983314908	UOADHOHQFOWCOG-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@](CC)(CNCCC)C(C)C	1986409166	HPBJLCHPRUFADE-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C(C)(C)CCF	1989222806	OOVLRBGHUUVAHZ-LBPRGKRZSA-N	230.367	4.548	0	10	BJAE	
CC(C)(C)CCC(=O)CCCCC(F)(F)F	1993584542	CZJRPKDCCFVHLI-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@@H]1CC[C@H](C)C1	1996271933	SZHYGRFMFFYMNA-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC1CCC([C@@](C)(N)CCCC2CCC2)CC1	1996586423	POCNXCFVTFKXKC-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCCCCc1ccc(NCCCCF)cc1	1997764733	CVRWQGRAQLMCPA-UHFFFAOYSA-N	237.362	4.581	0	10	BJAE	
C[C@H](C[C@@H](O)CCC1CCC1)C1CCCCC1	1998047967	RGUWATBYMZHOFC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(=CCCNC(C)C)[C@@H]1CCCC(C)(C)C1	2000143434	NIQFLQUOHONQPB-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@H](C[C@@H](C)CC(C)C)NC)CCC1	2000332359	JFVGLDIKGFDBTB-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@@H](CCCC1(C)CC1)NC	2000335722	ZYYTWUIEKHOKLD-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C(CC)(CC)CC	2000375566	DCGFPLWAYSJALJ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@@H]1C[C@@H]1CC	2000514834	OHJGETKJIRVPJC-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)[C@@H]1CCCC(C)(C)C1	2003004734	HJEBWKKNWXWANB-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2003019885	YBWAFICTXLOXQT-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CC=C(C)C)NCC	2004230630	YLLZCNLDOCXYNZ-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CN[C@@H](CC=C(C)C)C1(C)CCCCCCC1	2004936658	CQGJLFJZWIWRHT-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C=C2CCCCC2)CC1	2007926333	NOWFRGCBBGAOPH-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@H](N)C=C1CCCCC1)C(C)(C)C	2007934416	KEILBQKNPLKRKJ-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CCC2(C)CC2)CC1	2009553177	XNOATNZWPUKONS-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCCN(C)[C@H]1CCC[C@H](CC)CC1	2009567031	LPJKCBHBYSFDLK-IRJXADNDSA-N	237.431	4.633	0	10	BJAE	
CC=CCCCCc1cccc(C(F)(F)F)c1	2009587983	ICXYGPKTUTZRTN-UHFFFAOYSA-N	242.284	4.994	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1(CCC)CC1	2009597905	IKERZVRBDKDGET-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C1CC(CC)C1	2009612450	WEJAIBFVSJZVRS-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](CC)C[C@@H](NCC)C1	2009620016	QMIMJNKGSPLZGQ-LXTZQOSWSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@]1(C)CC1(C)C	2009628900	PBIOJXBJUCICES-YKNXIFKJSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](NC)C1=CC[C@@H](C(C)C)CC1	2010714829	AKHZOEYEPXXSRM-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2010715609	UJYHWAXRBVVHMG-LSDHHAIUSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@](C)(N)C(C)(C)C)CC1	2010727897	ADVYMTVAWWYTSU-BLLLJJGKSA-N	237.431	4.523	0	10	BJAE	
C=C=CCCNc1ccc(CCCCC)cc1	2010991333	YQMHFBZIXOIELC-UHFFFAOYSA-N	229.367	4.562	0	10	BJAE	
CC=C(C)c1cccc([C@H](CC)NCCC)c1	2012295708	DUWDTXZGHKKXNP-INIZCTEOSA-N	231.383	4.561	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC[C@@]12CCC[C@H]1C2	2013271936	XCPHLOMGIYJNPF-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCCC(C(C)C)C(C)C)NC	2015356331	FVBUXRUQJKGRFC-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@@H](CN)CCCC(C(C)C)C(C)C	2015361300	RZNNHLSNCIDNBC-HNNXBMFYSA-N	241.463	4.706	0	10	BJAE	
CCC[C@H](C)[C@@H](CC1(CCC)CCC1)NCC	2015640421	RUFUMXYECBTPRS-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CC(F)F)C[C@@](C)(N)CCC=C(C)C	2016119870	OIXPGUQGZHLTGC-JSGCOSHPSA-N	247.373	4.522	0	10	BJAE	
c1cc(N[C@H]2CC[C@H]2C2CC2)c2sccc2c1	2017041249	AAMGFWUKAAPBHG-STQMWFEESA-N	243.375	4.502	0	10	BJAE	
CC(C)C1(C[C@H]2CCCCCCC2=O)CCC1	2017128675	GAAXJXGCFJPIOJ-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)C1(C(C)(C)C)CCC1	2017131840	VVPXZKYEWWSBEV-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@H](CC1(C(C)(C)C)CCC1)NC	2017143250	LPTGYLRSRQHLOX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@]2(C)CCC(C)(C)C2)C1	2017914392	UFRZMLUXFSJBHU-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C(=O)C[C@@]23CCCC[C@H]2C3)c(C)s1	2018627483	BERKPESZAXSSEK-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CCC1(C[C@H]2C[C@H](C)Nc3ccccc32)CC1	2019002725	UTHAHXAMHAPPQD-QWHCGFSZSA-N	229.367	4.555	0	10	BJAE	
CCC[C@H](C)CN(C)[C@H](C)C1CCC(C)CC1	2019284993	GGFOFQNYRPMGBX-PWUWZPNHSA-N	239.447	4.569	0	10	BJAE	
CCCCCCN(C)[C@@H](C)C1CCC(C)CC1	2019291496	PRVTWOBVJXZYJL-PCKAHOCUSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCN(C)[C@@H]1C[C@@H](C)CC(C)(C)C1	2019301189	ANQNHZYXQXQYJY-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@H](CC[C@H](C)C1CCC1)CC(C)C	2019848228	BQIBYLVKTQYYEL-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(CC)(CC)CNC(C)C	2022502551	QQCIKEWPYGYOOY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)c1cc(C)cc(C)c1C	2024073528	PQMISDCGKDFGRJ-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
C[C@H](N)C[C@@H](C)CC1CC(C)(C)CC(C)(C)C1	2024092419	QZVSMJRLESCCRX-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
CN(c1cccc(Cl)c1)[C@H]1C=CCCCCC1	2024677183	GOTGJOXGOAGERE-AWEZNQCLSA-N	249.785	4.665	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1CCC(F)(F)C1	2026064519	XMBPDRWBGYZAJT-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC1(CCC)CC1	2026169413	IHFUTZDAKQYQOC-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@@H]1C[C@H]1CC)NC	2026169691	KFGXZXSORCMXNY-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1cccc(C2CCC2)c1	2028267197	YLPBZZGSJJJEHR-IAGOWNOFSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2C[C@H]3CCCC[C@H]32)C1	2028786729	MNHOHAJHCQAICS-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C	2029599660	FMZKRDXGDNPTKT-VGWMRTNUSA-N	249.442	4.523	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](c1ccccc1)C1CC1	2029967506	SMEIVRNMMPNNHR-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@@]1(C)C=CCCC1	2030355296	WYEVXNGKXYKMTP-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(=CC1C[C@@H](C)C[C@H](C)C1)c1ccc(N)cc1	2031802641	ZCDJIWFMGNWRNG-STQMWFEESA-N	243.394	4.744	0	10	BJAE	
C[C@H](Nc1ccccc1C1(C)CC1)[C@H]1CC1(C)C	2032245875	NBHIRYSEDHTJQH-GXTWGEPZSA-N	243.394	4.585	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2[C@H]3CCCC[C@H]23)C1	2032791290	QXSZBDNYAMGICV-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)c1ccccc1C(C)C	2035431163	PBIGXHOVHNCBBZ-RHSMWYFYSA-N	245.410	4.564	0	10	BJAE	
CC1CCC(N[C@@H]2C[C@@H]3CCCC[C@@]3(C)C2)CC1	2036664578	LDANCKQLINLHMA-VNPUNGKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)C[C@@H]1CC=CCC1	2037167465	WHHMOLGKTPQDDH-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CCC1=CCCCC1	2037167825	AKGWDDCVFKACNR-IKGGRYGDSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)c1ccccc1	2038133095	HUHPVHADPGHUKI-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC2(CC2)C1	2038581106	YOXWBSNEPJNEGA-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](NC[C@@H]1CC12CCCCC2)C1CCCC1	2039090660	DIWDXBPICYHNOK-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)CC1(CN)CC2(CC3(CCC3)C2)C1	2039459322	APJDBEOKIMKPKB-AWEZNQCLSA-N	249.442	4.502	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)c1ccc(C)cc1C	2040726020	NUJBNULXNQWURO-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)c2cccc(C)c2)CC1	2041373332	TWWNJRVYTBTEES-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@]1(C)CC=CCC1	2042022836	WBCVQTNFVCEMCG-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CCCNCC1([C@@H]2CCC[C@@H](CC)C2)CC=CC1	2042095391	AHYNBDHDYQQRKQ-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@@H](C)CC2=CCCCC2)C1	2043189860	DWJCOMUUGKTLLD-QSJFSLAZSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CC[C@H](C2(N)CCC3(CCCCC3)CC2)C1	2045666088	NQRWJMJXSASYIH-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC[C@H](NC1CC2(CCCCCC2)C1)C1CCC1	2046233494	OPGWCVBKKUQHLT-INIZCTEOSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)C[C@@H]1CC12CCCC2	2047015209	HIRIPMVKZNLHFJ-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@H]1CCC12CCC2)C1CCCCCC1	2047927194	AMGPQMQUVMDNGE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NC1[C@@H]2CCCCC[C@@H]12)C1CCCC1	2048386796	IMAJLNKPQOUKTM-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)[C@H]2CCC[C@@H](C)C2)c1	2049540506	OMLJVBCRKXPHOY-BNOWGMLFSA-N	249.373	4.761	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1[C@H]2CCCC[C@H]21	2049642473	VTEAUSFQMGHTNW-WCVJEAGWSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(CC(=O)C2(C3CCC3)CC2)CC1	2051905186	JQRBLZUJOLDSIL-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC(CCC)[C@H]1CCN[C@H]1c1ccccc1	2052166454	BGIIOVREJVZLPF-SJORKVTESA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@]1(CN)CCCCC12CC2	2053410161	IZJRHOLBUHPHKE-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](N)C2CC=CC2)CC1	2053664956	QBDAOPOWLNUTEQ-XIRDDKMYSA-N	249.442	4.667	0	10	BJAE	
CCCNC[C@@]1(C2CC=CC2)CCC[C@@H](CC)C1	2053695323	SQRYNQIDWGJNKP-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@H]2CCC[C@@H]2F)c2ccccc2N1	2055299703	ITKVVYWXOIYANP-COMQUAJESA-N	247.357	4.503	0	10	BJAE	
FCc1ccc(N[C@@H]2CCCC[C@@H]2C2CC2)cc1	2055670383	VTQYSUNKHPUYPZ-HZPDHXFCSA-N	247.357	4.537	0	10	BJAE	
N[C@@]1(C=C2CCCCC2)C[C@@H]2CCCCC[C@@H]2C1	2056913156	ZCPFVMWVTGXCLI-BJWYYQGGSA-N	247.426	4.565	0	10	BJAE	
CC=CCCCC[C@H](NCC)c1ccccc1F	2059246825	IGBWYKCDIGGYQI-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CCCC[C@H]1NCC[C@@]12CCCCC21CCCC1	2059472256	HTDKYIZVFFUEHQ-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CC1CCC1)C1=CC[C@@H](CC)CC1	2061097307	BBAGBZKIPDMGCY-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@](CN)(CC[C@]23CCC[C@@H]2C3)C1	2061621287	FEBLJOXPPMGION-PVAVHDDUSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063502343	WBKUJIZETWLNMK-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1C[C@H](C[C@@H]2CC=CCC2)CC(C)(C)C1	2063638432	PPRBTUMZMKVDHY-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H]2CC(=O)CC3(CCC3)C2)CCCCC1	2063720666	KKVOJTCMZANAOH-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1CC2(C1)CC2(C)C	2064133622	WUJQOFLEVLSXJK-ZBUZPQQSSA-N	248.410	4.598	0	10	BJAE	
NC[C@@H]1CCCCC[C@H]1CC12CCC(CC1)CC2	2065337377	ACNQHBUCIFGXQD-YZUHTNEWSA-N	249.442	4.502	0	10	BJAE	
N[C@H](C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCCCC1	2068772780	QTWYZUSNUXAVBI-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@]23CCC[C@@H]2C3)CCC1	2069336566	BAQNZFLNEVHNSC-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(NCC2(CC3CCC3)CC2)CCC1	2069581013	NYPSIMVWQOWRER-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
COc1cc(C)ccc1N[C@H](C)CCC=C(C)C	2070396889	DTDDQHSZVWXHTI-CQSZACIVSA-N	247.382	4.550	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@@H]1CC12CCCCC2	2070413860	OQFAZXHRXUQWJC-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1([C@H](N)C[C@@]23CCC[C@H]2C3)CCCCCCC1	2070964223	UKHWJKHFPAMVCH-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2CC23CCCCC3)CCC1	2071917779	NPZMJYMXUAQUFH-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)c1ccc(C(C)(C)C)cc1	2072091873	ACHBQHYQSIDETQ-JSGCOSHPSA-N	244.378	4.603	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](C[C@H]2C=CCC2)NC)CC1	2072682418	VCZASGFKBVEOPI-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)[C@@]2(C)C=CCC2)CC1	2072795020	ZUPSJMJLRJUUML-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
C[C@@](F)(C[C@H]1CC[C@H](C)CC1)c1ccc(N)cc1	2072822876	YHDXJXLAYXRCDJ-XJKCOSOUSA-N	249.373	4.670	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CC2C[C@H]3C[C@@H]3C2)CC1	2072873458	PDCLFDXINSEROR-SDADXPQNSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(CC(=O)C2(C3CC3)CC2)CC1	2072882354	VLDAIHJWOAILRN-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](N)(C[C@]12CCCC[C@H]1C2)C1CCCC1	2074026066	RVJHCAVLWSPMIW-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC(C)(C)CN1[C@H]1CCC12CCCCC2	2075013749	XBZPLBJHPUGMOQ-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
C1=C(CN2CCCC[C@@H]2C2CCCCC2)CCC1	2075185273	FIZZUMORTGEPJP-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
CC1(C)CCC(C)(CN[C@H]2C=CCCCC2)CC1	2075364379	HALOQIOFFOGSNG-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(N[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)c(C)c1	2077363654	ZBGSSLTWRGIZQP-OFQRWUPVSA-N	243.394	4.540	0	10	BJAE	
C1CCCC(NCC[C@@H]2CC3CCC2CC3)CC1	2077398390	XDAZNCXXDYYANY-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc([C@](C)(N)CC(C)(C)C)cc1	2078004469	ZJSYYZMJAQWQBS-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2C[C@@H]2C2CCC2)CC1	2079304236	SVEVLHCRQIEFAA-CBUUIXETSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCCCC1)[C@H]1C[C@@H]1C1CCCC1	2079491677	KTYCDGOJZUROIN-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C[C@H]2C2CCCCC2)CCC1	2079842653	PCUASQYFECWPKX-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC1(c2ccc(NCC(F)=C3CCC3)cc2)CC1	2081676555	UYUDAXIVXKYOKZ-UHFFFAOYSA-N	245.341	4.558	0	10	BJAE	
CCCCC[C@@H](NCC)C1C2(CCC2)C12CCC2	2083551835	CYNPAWPRFHZPMT-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@](N)([C@H]2CCC3(CCCC3)C2)C1(C)C	2084345882	TWQZJKFPWKCVSA-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)Cc1ccccc1C	2085940739	KSAZIENBXZWJIR-AWEZNQCLSA-N	246.394	4.713	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1C[C@H]2CCC[C@H]1C2	2086170257	CWAOAUMAPBVXMK-CWRNSKLLSA-N	243.394	4.548	0	10	BJAE	
CCc1ccccc1Cn1ccc2cc(C)ccc21	2087765894	JNYWXKCGJWMXPT-UHFFFAOYSA-N	249.357	4.560	0	10	BJAE	
c1ccc2c(c1)CC[C@@H](c1ccc(C3CC3)cc1)N2	2089009598	IUVPPIKPMZQTHW-SFHVURJKSA-N	249.357	4.663	0	10	BJAE	
C[C@@H]1CC[C@H]1C[C@@H]1CCCCCCCCC1=O	2215116358	KHWKKEXVXWMJOA-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)NC[C@]1(C)CC=C(C)CC1	2215823319	HOGLSNKWSNFAHE-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CC)C1CCCCCC1	2217147984	AZCUXAGKDLUVTJ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)N(C)C/C=C/c1ccccc1	2219077381	BNZPPYFDKKCGSN-RTGRKSDTSA-N	245.410	4.600	0	10	BJAE	
CC1(CC2(CNC(C)(C)C)CC2)CC2(CCC2)C1	2221035724	RWWKIMWYXWMBBK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1OCC1(C)CC2(CCC2)C1	2221075309	DSVWLPNGOWQVSQ-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@@]1(C)CC=C(C)CC1	2221629743	GDVIIIJZTWGOLJ-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](CNC1CCC1)CC12CCC(CC1)CC2	2223599970	XMIQJRCERJTCOX-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](C)[C@H](O)CC(C)(C)C(C)C)cc1	2223954036	INWHSZYXEQDSNK-GDBMZVCRSA-N	248.410	4.532	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)CC2(C)CCCC2)cc1	2223965868	PGWATHGVNCCNOB-AWEZNQCLSA-N	244.378	4.638	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1csc(C(F)F)c1	2244767832	PTMUWBVHEVNPIA-KWQFWETISA-N	247.354	4.512	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@H]1CCCC1(C)C	2247170275	GTRLJPIIQBDBGF-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1(c2cccc(CC3=CCCCC3)c2)CC1	2247508866	KDCDUNLCMHVHIB-UHFFFAOYSA-N	226.363	4.781	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@@H]1CCCCC12CC2	2253783646	BHVFCOHDNADAMT-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@@H](CC[C@H]2CCCCC23CC3)CN1	2253885568	CTXZNIIBLYTVGZ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1(CN)CCC2(CC1)CC2	2254587524	QSVUHBPJAMWXHF-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@H]2C[C@@H]2C)c(F)c1	2254587739	GBVNXZLGWKLPHD-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	2254603948	FUXRQQUIXNLLRB-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCCC12CC2)C(C)=C(C)C	2255245974	LEWWUJHDTSZYCV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCN(C1CCC1)C1CCC1	2257290198	MFJLYRSBNKALOB-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@H]1Nc1cc(C2CC2)ccc1F	2259125972	JZTYLIJNUNVYOS-OAHLLOKOSA-N	247.357	4.694	0	10	BJAE	
O=C(C[C@@]12CCCC[C@H]1CC2)C1CCCCCC1	2260564816	IIONITOZMVEYKR-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)C[C@]12CCCC[C@@H]1CC2	2260678185	JUUGGJVLJFNAQC-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C)[C@@](O)(c1ccccc1)C1CCCC1	2263750691	RXBXIYVKWJYSKB-RHSMWYFYSA-N	246.394	4.501	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)[C@@H](C)CC1CC1	2298858630	PXLYEYLORVAHJF-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@H](C)CC2CCC2)C1	2298931819	CVRUXAQKAHUHEB-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1(C)CC2(CCC2)C1	2300673449	HZPAUMDHTRUWKY-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H]1CC[C@H]1CC=C(C)CCCC(C)C	2300916456	NYDAVLWZONHUQK-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CCCCCC2)C1=O	2301147134	GTYXWVAUYBUOOA-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
N[C@@H](CCCCC1CC1)C1=CCCCCCC1	2302570030	STVUVQXWMURJHT-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
N[C@H](CCCCC1CC1)C1=CCCCCCC1	2302570031	STVUVQXWMURJHT-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCCC[C@H]1C[C@H]1C	2302635589	LAANPYGGWQTILQ-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CCC(C)(C)C1	2302753067	KDRJDPYYXCNDSO-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)CC2(C)CCCC2)C1	2302883253	UFDGGBSUEYVZQH-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1CC[C@@H]1C(C)(C)C	2303466037	RYXWIZNMQOHHIT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CC[C@@H]1CCC(C)(C)C1	2304433496	CGMVAXJPYVPMOL-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(N)(CC[C@H]1CCC(C)(C)C1)C(C)C	2304436909	URDCRGMIJNCFEJ-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCCc1ccc(CC(F)(F)F)cc1	2307645757	LTVNOZCVTGHPIE-UHFFFAOYSA-N	242.284	4.690	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)C(C(C)C)C(C)C	2307899914	DLZCFYZPLVSMIP-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CN)CCC[C@@H](CC)C1	2307909624	VBTQEMPBJBOOJS-XHSDSOJGSA-N	239.447	4.748	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2CC[C@@H]3CC[C@@H]32)CC1	2309487639	GLNKSPLRGOSMEF-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C[C@@]12CCC[C@@H]1C2	2310382854	SFBFDZZASRTOCA-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCC[C@@H]1C[C@H]1C)[C@@]1(C)CC=C(C)CC1	2312521577	YPEUJJQYAFTLQC-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)C1CC2(C1)CC(C)(C)C2	2313606772	VYYGYZKBXIMPLM-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CC(=CCNC1CC(C2CC2)C1)CCCC(C)C	2316497775	VGFCFKSFPKYNBD-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@H](N)c1ccoc1C)CCCC(C)C	2316500984	BPOKYNCKAWGPIQ-INIZCTEOSA-N	249.398	4.751	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@H]1C[C@H]2CCC[C@H](C2)C1	2316535794	JMCFBXHMRWXLDJ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@H](N)[C@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316697460	LVCZGMMKHNTNMO-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@@H](N)CC1CCCCCC1	2316879625	GFCAIMVXAHCVHW-HYVNUMGLSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)[C@H](C)[C@H](C)C(C)C)c1	2317993110	WHJAUXZIPOZING-FRFSOERESA-N	247.426	4.540	0	10	BJAE	
CC1(C)CC[C@@H](CCCC2=CCCCC2)[C@H](N)C1	2318537728	GOKMIICIXCLKTI-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)CCCC12CCC2	2318594471	GILIRBGPHIOHJH-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
C1=C(CCCN2CCC3(CCC3)CC2)CCCC1	2318595254	NSURSMDGVJGQAK-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
N[C@@H]1CCCC[C@H]1CC[C@H]1C[C@H]2CCC[C@H]1CC2	2318799985	HRHWOGCYHXZUFN-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)cc(C(=O)C[C@@H]2CCC(C)(C)C2)c1	2319116210	OMPLSPACHVZBSA-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C[C@H]2CCCC23CC3)C1	2319127971	FQPJSRPPSRIKJK-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)CCCC[C@@H]3C[C@@H]32)CC1	2319438655	CXTJLFLWXWQRRG-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@H]2CC[C@@H]2C2CC2)C1	2319503011	UODYRSSZAHJQBT-IARIHHJXSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@@H](N)CC[C@@H]2CC[C@@H]2C2CC2)CCC1	2319735726	YZSDVRGFLUXCAI-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C[C@H]1CCC(C)=C(C)C1	2320396411	IECJSYLIKUXLOA-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@@H]2CC(C)C)CC1	2320411506	JXTCZBOASOEOBP-OWCLPIDISA-N	248.410	4.764	0	10	BJAE	
CC1CC(C)(C[C@H](O)c2cccc(C(C)C)c2)C1	2320576129	LJIYUKHJDBUXFY-PWZRNIHTSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@]23CCC[C@H]2CC3)C1	2321634938	WOOPCFOLEGQKSS-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NCC2(C(C)C)CC2)c1F	2327804292	OERLPELWJYODTL-UHFFFAOYSA-N	249.373	4.797	0	10	BJAE	
CCc1ccccc1Nc1ccccc1CC	5140339	RZFNPHWOOGJMQE-UHFFFAOYSA-N	225.335	4.555	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cccc2ccccc12	20548732	SXDOBYLHNAEIFN-STQMWFEESA-N	227.351	4.686	0	10	BJAE	
CCC(CC)N[C@H](C)c1ccc(C(C)(C)C)cc1	20556247	AALBPTJQVUYFDF-CYBMUJFWSA-N	247.426	4.823	0	10	BJAE	
CCCC[C@@H](CC)CNC(CCC)CCC	20559072	QGEPGKQEDGPCAB-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCCCc1ccc([C@@H](NC)[C@H](C)CCC)cc1	35492992	WANKMYHMTQIWKY-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)CCCCC	36792252	ZCVXNXGWTPFYGS-HUUCEWRRSA-N	227.436	4.904	0	10	BJAE	
CC[C@@H](Nc1cccc(C(C)C)c1)C(C)C	37231158	FFFWVXZWKWWCNE-OAHLLOKOSA-N	219.372	4.657	0	10	BJAE	
CCCCCC[C@](C)(CC)CNC(C)(C)C	71128203	UOGPKPKVXGVGKM-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCC[C@@H](C)CC1	86882032	OWNOWIQIOXSLCI-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1CC[C@H](CC)C1	88018197	NKNLHLORYXGWOE-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CNC1CC1)C(C)C	104017840	OKCBJGQBUBVQJH-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C/C=C\[C@@H](C)Cc1ccc(Cl)cc1Cl	107533648	PGSADRMONGEZPH-ZBJFTSOASA-N	229.150	4.748	0	10	BJAE	
CCCC[C@@H](CC)CNc1c(C)cccc1C	110168183	IASJRQDWZUUIGD-OAHLLOKOSA-N	233.399	4.932	0	10	BJAE	
Cc1c(-c2ccccc2)cccc1C(F)(F)F	112734711	ULEWDMPSISPSTR-UHFFFAOYSA-N	236.236	4.681	0	10	BJAE	
CCCCC[C@@H](C[C@@H](C)C(C)(C)C)NCC	125330321	JLHHJOKFFLDXCK-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H]1CC[C@H](C)c2ccccc21	136957709	CESNRDXOQKNMMB-GRDNDAEWSA-N	245.410	4.649	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)c2cccc3ccsc23)C1	163214656	NYLVGUHYDLZQKL-ZYHUDNBSSA-N	244.359	4.520	0	10	BJAE	
CCN[C@H](c1cccc(C)c1C)C1(C)CCCC1	163541657	FYBORBKRCBUOKS-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)c1sccc1C	164308105	FBTWMGJFRQSIAO-YPMHNXCESA-N	239.428	4.533	0	10	BJAE	
CC(C)CCCC(C)(C)[C@@H]1CC[C@H](C)CC1=O	166168579	PMJRVCDJXLADQQ-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCCC[C@@H]1CC	168340785	OFPFQISVHTXDEY-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CCCCCC[C@H](NCC)c1ccsc1C	227913714	ICFOGEDTZQLPSA-AWEZNQCLSA-N	239.428	4.678	0	10	BJAE	
CC(C)=CCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1	228873287	WSAGRHMTXMGVKY-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](N)(CC2CCCC2)C1	230787895	ZPQIPRKLQHAXGA-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCC1(CC)CCCC1	234015063	XEUIDSBXAPGKHN-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCc1ccccc1[C@H](N)C1=CCCCCCC1	234160705	IJGBIRCEJRLPQH-QGZVFWFLSA-N	243.394	4.529	0	10	BJAE	
CC(C)[C@@H](N[C@H]1CC[C@H](C)CC1)c1ccccc1	253124023	KIGNQPMMWFMFHD-DJIMGWMZSA-N	245.410	4.552	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C(C)(C)c1ccccc1	302348269	WBSSBTLASRTWDE-HNNXBMFYSA-N	248.410	4.542	0	10	BJAE	
CCc1ccc(CC)c([C@H](O)CCC(C)(C)C)c1	302432161	VCYARGJNDXCVKU-MRXNPFEDSA-N	248.410	4.671	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](N)CCC1CCCC1	305940897	LJWVBVCNYVBHJM-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CSc1c(S)sc2ccc(Cl)cc12	306938644	NANGBNPOYFSEIZ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Fc1cc(Cl)c2scc(C(F)F)c2c1	307443098	AWKLMQLPCAGDAO-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCCCCC[C@H](N)[C@H](CCC)CC(C)C	308050311	KUQUEPLIVPOIOH-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CCC(CC)(CC)CN[C@@]1(C)CCCC[C@H]1C	308722948	QUXOTLRKEDEZRU-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(C(=O)CC2(CC)CCC2)CC1	310309381	DKKUEYJPRIJQOC-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCCC[C@H](O)C2)CC1	310421922	OFJNGXVHDJPKGS-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCOc1ccc2c(ccn2C(CC)CC)c1	310593834	CPEDATAURHZQNT-UHFFFAOYSA-N	245.366	4.791	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H]2CCC[C@H](C)C2)cc1	310980079	JOUNJTZWSJANQN-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CC(C)c1ccc([C@H](O)C(C)(C)C(C)(C)C)cc1	311186967	BEYVXLFCTMVXAD-HNNXBMFYSA-N	248.410	4.916	0	10	BJAE	
CCNCC1([C@@H]2C=CCCC2)CCC(CC)CC1	317101981	KEFANMYEAQAGFL-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@H](C)CC)C1(C)CCCC1	318832912	FOZVYWKUUJNJOC-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC12CCCC2)C1CCC1	324793189	KRSYSFFSQKYZBS-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](C)[C@@H](CC1CCC(C)(C)CC1)NC	380077293	RKZIIFJCZHIPJH-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(O)(CC2CCC(C)(C)CC2)CC1	380126133	CQQRKQGOYHHQIV-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@H](N)CCCCCC(C)C)CC1	383265066	MKUMWBWLCOZTND-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCCc1ccc(N[C@H]2CCC2(C)C)cc1	383338470	JMISLSZGEWIUFV-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H]1CCC[C@H](C)C1	383966909	YAVDTNMWCQVPBK-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)[C@H](C)C1CCCCC1	384007292	NWTVAONISHHQBW-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CCCc1ccccc1[C@H](N)C1(C)CCCCC1	384618418	IBTINBOZYPAXSA-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CCCNC[C@@H](C)[C@@H](C)CCC1=CCCCC1	384927857	HUBIAQMVKVEBBN-LSDHHAIUSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@H](C)CC	385686927	JIZDGOTWTQQFFI-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CCC[C@H](C)C1	386454076	DJORHIDIMFTQRO-KBPBESRZSA-N	244.378	4.819	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H](C)CC1)C1CCCC1	387556339	VZKGTGQPGIKKME-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@H]1C[C@H]1CC(C)C	387833240	OTIUYYUIMJVKRN-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NC1CC(C)(C)C1)c1ccccc1	395166867	DEHGFDWHZZTINH-INIZCTEOSA-N	245.410	4.696	0	10	BJAE	
CCC[C@@H](C)CNc1cccc2ccsc12	395357175	KKMMKJRVLWPSKH-LLVKDONJSA-N	233.380	4.749	0	10	BJAE	
CCC(CC)C[C@@H](N)c1ccc2sccc2c1	395439653	UCAYNAVKILQRFY-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H](C)C1CCC1)NCC	398746820	YYFAABBOSPTKMC-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)C1CCCCC1	402174244	VKCVMQNFSZUDMZ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CC(C)(C)C1CC1	405826404	ZMUYYEPGYFHZLU-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CCc1cc(N[C@H]2CCCCC[C@H]2C)ccc1C	691152012	OYTUUMNXUYJODL-PBHICJAKSA-N	245.410	4.938	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1cccc(C(C)(C)C)c1	691649960	HRORNEAJWPJGAY-CJNGLKHVSA-N	247.426	4.810	0	10	BJAE	
CCCCC[C@@H](NC)[C@@]1(C)CC[C@@H](C)C1(C)C	699010671	GZICVIPBBIXJMO-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NC)[C@@]1(C)CC[C@@H](C)C1(C)C	699010672	GZICVIPBBIXJMO-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(C)(C)[C@@H]1CC[C@H](C)C[C@H]1O	701041224	AZGYCWZINOHSIK-BFHYXJOUSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C1CC1)C(C)(C)CC	701178053	WPGZWXRZEJNFGF-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1[C@@H]2CCCC[C@H]2C12CCCCCC2	701901237	JKKFMSUPIJYCDI-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@](N)(C[C@@H](C)CC(C)C)C1CC1	704837110	RCFNKNOIDOWNKP-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C)c(N[C@H](C2CCC2)C2CC2)c(C)c1	707866633	AHZHUQCWLOXTOQ-QGZVFWFLSA-N	243.394	4.602	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)[C@@H](C)CC(C)C	708312153	IHDQCXKRSXKHGB-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](C)CCC[C@H](C)CC(C)(C)C	709194491	YZEPZZQOLZANBK-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCCCCNc1ccc(C2CC2)cc1	709672168	RMHICBUSUPHGNN-UHFFFAOYSA-N	217.356	4.556	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C12CCC(CC1)C2	710935703	FPQJDMQKUJETES-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CCC1)C[C@@H](CC)C(C)(C)C	711071640	OAWKCFKGFRXJFU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]3CCCC[C@H]32)CCCCCC1	712517117	DQLJPZGQHZNVKN-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@](C)(CNCC(C)C)C(C)C	713252407	SVKOYBVXQSWDQK-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1CCC[C@@H]1C	718540305	PCEKOENPPCCGAO-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H](C)CC1CC1	720989778	NBQWJMUCXQZMIP-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
c1ccc(C2CC2)c(-c2ccc3c(c2)CCCN3)c1	1241837050	KMMWBYAPRPLOMY-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NCC1(C)CCC2(CC1)CC2	1875709306	UIQGTZUXIAPUFR-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@](C)(N)C1(C)CCCC1	1900710801	AFWXSRRQGJPOEJ-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](N)CCCCCC1=CCCCC1	1901965458	XMLQGJGOXJKGFQ-HNNXBMFYSA-N	223.404	4.565	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)c1ccsc1C	1905360427	LOFXBVYNAXGSJL-GXTWGEPZSA-N	239.428	4.533	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCC[C@H]1C(C)C	1908807563	CPIFEWKCWNBJHR-OWCLPIDISA-N	239.447	4.616	0	10	BJAE	
CCCNCC(=C[C@H]1CCCC[C@H]1CC)CC	1912094858	MQNUTDBDVJCIPL-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)C1CCCCCCC1	1921540295	CWSSOUVCMKKSGV-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@H]1C=CCCCC1	1925772849	RAKMJEZGWFNJIH-YQQAZPJKSA-N	249.442	4.667	0	10	BJAE	
Clc1sccc1NC[C@H]1C=CCCCC1	1925919591	FVCLYLLEAFCANM-JTQLQIEISA-N	241.787	4.560	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCCC1)[C@@H]1C[C@H]1CC	1925949878	VPQVOMUDZMDAPT-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CCC1(C)CC1	1935882149	JPDLDQTWGXNHFU-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CCCCCC1CC1	1936421516	UJZMJPSWEZCOQB-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
O=C(CC1CCC=CCC1)CC1CCCCC1	1941796455	FGGQRHQJFKIWJU-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
Cc1sccc1C(=O)[C@@]12CCCC[C@@H]1CCC2	1944219444	CDJVAVLDUMVGHW-IUODEOHRSA-N	248.391	4.600	0	10	BJAE	
CCC(F)(F)C(C)(C)NCCCCCC(C)C	1944583461	ZACANYSHLVGBCH-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C1CCCC1	1944647229	UFZPOLMAZBQJIY-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@@H](C)CC1	1947466932	KEIUTYMYTVUYNS-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
C1=C[C@@H](Cc2ccc(C3CCCC3)cc2)CC1	1947553056	UTZAKLWQYCYSMH-CQSZACIVSA-N	226.363	4.853	0	10	BJAE	
CC1([C@@H](N)C2CCCCCC2)CCCCCC1	1948980333	OZBVZEMIHKEMKF-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H](C)C2CCC2)CC1	1949040838	WWCWDQPKLOWYMM-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](O)[C@@H]1CCC2(CCCC2)C1	1949401323	BVQJUSLJUZLENG-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1CCCC(C)(C)CC1	1950915288	YXJVIWYITRWJIO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CNC[C@@H]1CCCC(C)(C)CC1	1950918086	IJPIENZGYFFLGT-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)C[C@@H](N)[C@@H]1CCCC(C)(C)CC1	1950921393	FJYVGNQQPJTJSR-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
C(=Cc1ccccc1)CCCNc1ccccc1	1951316609	JVJWAAFBINRCGX-UHFFFAOYSA-N	237.346	4.592	0	10	BJAE	
CCCC(CCC)Nc1ccc2cnccc2c1	1963218664	YTOYSYFUXNXHKN-UHFFFAOYSA-N	242.366	4.616	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CC3(CCCC3)C2)CC1	1967708615	RMGIXVMJJKMPQB-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC[C@H](NC2CCC3(CCC3)CC2)[C@H](C)C1	1967791419	MPYRTIRKTJSLRI-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)CNc1cccc(C2CC2)n1	1968238484	XLYUSTFJHDAIIA-ZDUSSCGKSA-N	246.398	4.587	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C)CCC(C)(C)C)C1	1970302645	MAMMZBSHHDJFCG-ZDUSSCGKSA-N	239.447	4.760	0	10	BJAE	
CCC1(CC)CC(NC[C@@H]2CCCC3(CC3)C2)C1	1972182215	LAMVEMMQPODUGL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CC(NC(C2CCC2)C2CCC2)C1	1972234465	MSSZAFFSBOFXLJ-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC12CC2)c1ccsc1	1972744528	NCDYXVPNNPIXOX-UONOGXRCSA-N	249.423	4.512	0	10	BJAE	
CCC[C@H](NC[C@H](CC)C(C)C)c1ccccc1	1973383197	CVZCNUOAZPIMSI-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC(C)(C)C)CC1	1976342916	QZXCEIVGPMJAOS-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCCCc1ccc2nccc(Cl)c2c1	1976753818	QKVVDXNLNOUFKY-UHFFFAOYSA-N	233.742	4.621	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CCCC1CC1	1978451822	PYBDIPCIJNHAAP-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCCCC[C@@]1(CN)CCCC(C)(C)C1	1980262847	QGZGDOWMTBRAFM-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CC(C)CCCCC[C@H]1CC(=O)C[C@@H](C)C1	1982566519	OKLOEOAHDFYFRW-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCCN[C@@H](CCC)c1cccs1	1984613291	XYGHQEGXSIQDMT-LQPUYASZSA-N	237.412	4.535	0	10	BJAE	
C/C=C/CCCc1ccc2ccccc2c1	1984616344	KNCOPOLRDHMJGX-NSCUHMNNSA-N	210.320	4.739	0	10	BJAE	
CCCC[C@](C)(CN)CC1(CCC)CCC1	1988467027	PYBLHLXGSVYQDF-AWEZNQCLSA-N	225.420	4.502	0	10	BJAE	
CCCCCCC(=O)C1(C(C)(C)C)CCC1	1989453116	JCRUANSVERXIPP-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCC(CCC)[C@H](NCC)C(C)=C(C)C	1989664891	MUDRHZFDQDHLAP-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1ccsc1C	1995253295	FTPXCVMUQBEDPZ-SMDDNHRTSA-N	240.412	4.696	0	10	BJAE	
CCCCCC[C@@H](N)CC[C@@H](C)CCCC	1995261164	BKIXLSANOQCJAX-LSDHHAIUSA-N	227.436	4.891	0	10	BJAE	
CCCC1(CN[C@H](C)C2(C)CCCCC2)CC1	1995990921	LFHZZKKLRAOPGM-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(F)(F)CCC[C@](C)(O)C1(C)CCCCC1	1995991359	OSBJMALMKGYSCU-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@@H](C)C2)CC1	1996235187	JILNAFDMMCWQRS-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](CC(C)(C)C)NC)CC1	1997117778	SWRZTCHBZAUMDJ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@@]1(C)CC=CCC1	1997550105	DZPDMPSXZWNOFR-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@@H]1CCC=CCCC1)NC	1999987740	JAQBIUDQOXFHOL-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)CC2CCCC2)C1	2000055019	CELNPBGTMYZFPK-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](CC1CCCCC1)NC	2000334091	QXMTWZIPDRDWOU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H]([C@@H](C)C(C)C)C(CC)(CC)CC	2000388268	RWBUQLJKDVAGIZ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@@H]1CCC[C@@H](C)C1	2000516705	YBDVQFSGSXIPCC-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1C[C@H]2CCCCCC[C@H]21	2001503597	IBPFTORXXUTISN-BZUAXINKSA-N	231.383	4.636	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@H]1CCC2(CC2)C1	2003208334	MLJVZKHBFSIZRT-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@H]1CCC2(CC2)C1	2003228461	SVXQGMGYRDQWTG-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CCCC1(C)C	2004225454	DCXGKFPCVVJGKB-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)C1(C)CCCCCCC1	2004920530	KVIZACZATAQVSQ-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(F)(F)CC[C@H](O)C1(C)CCCCCCC1	2004921361	VBWOEJSKCNODGI-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C2(C)CCCCCCC2)C1	2004943616	DVJJRPLCDARINC-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC1([C@@H](O)C=C2CCCC2)CCCCCCC1	2007920926	MHLZNWJRQHSYHH-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCN[C@H]1CCC[C@H](C(C)C)CC1	2009597844	HXYKRULSRROUFX-SWJNODNISA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@H]1CC1(C)C)NCCC	2009626318	DSXWWBURXRCXCV-CJKAQPIMSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@]1(CC2(C)CCCCC2)CCCN1	2009775656	ZJRFNXUOZVKRNC-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CCCCCC1CC(N)(C[C@H](C)CC(C)C)C1	2009792048	UFUTYDJMXMQFQP-QQFBHYJXSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C[C@@H](O)C1=CC[C@H](C)CC1)C(C)(C)C	2010626329	XULAVOYGQLPDJG-NWANDNLSSA-N	238.415	4.556	0	10	BJAE	
CCCCCC[C@](C)(O)C1=CCC(C)(C)CC1	2010715373	TXODJCPWCSUHDW-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1C[C@H]1CCCNc1ccc2sccc2c1	2011583540	JQWJQWICXYDPIX-NWDGAFQWSA-N	245.391	4.749	0	10	BJAE	
CC[C@H](CCC(C)C)NCC1CCC=CCC1	2013262290	ASBGFMITYYCFAH-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCC(C)(C)C2)CCC1	2015643170	YYXNNGKLGDOQBY-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C(C)C)C1CCC1	2016144506	JZNVMZCNNAVJRU-GOEBONIOSA-N	237.431	4.536	0	10	BJAE	
CCCC1CC(CN[C@H](C)CCC=C(C)C)C1	2016150653	WUCQHRSQHSEQHV-QQFBHYJXSA-N	237.431	4.537	0	10	BJAE	
CCC1(CC)CC(O)(CC2(C(C)C)CCC2)C1	2017116086	FYUFCFUDEJXDBB-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CNc1ccccc1SC1CC1	2017469156	QHAUHJLTHBRPPT-UHFFFAOYSA-N	247.407	4.709	0	10	BJAE	
CCC[C@](O)(C[C@H]1CC[C@H](C)CC1)C1CCC1	2017649854	AMFROSDIJSAQDB-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@@H]1CCCC2(CC2)C1	2017709620	IEQCPWBMVMJQGI-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C[C@H]1CC[C@H](C)CC1	2017720329	GGRNJVYWNGKRGM-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H](CCCC(C)C)NCC)CC1	2018972163	BUDUXWMUCCWIMP-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](C)CCC(C)C	2019193377	WITFDVUGAADSSX-HOTGVXAUSA-N	241.463	4.959	0	10	BJAE	
CC(C)C[C@H](C)N(C)[C@H](C)C1(C)CCCCC1	2019304171	RTEGCNSSTVBSMB-LSDHHAIUSA-N	239.447	4.712	0	10	BJAE	
CCC1CCC([C@H]2CCCC(C)(C)C2=O)CC1	2020393579	QJMCDYBJUQWWCM-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C)CCC[C@@H]1CCCC(C)(C)C1	2024091060	FCHXDEBVADTYFS-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)CCC2(C)CC2)C1	2024101884	NWXOCDYXCWLHKD-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@H]2CC2(C)C)C1	2024102975	XULFZJNQCAPZQC-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](C)(CO)CC1CC(C)(C)CC(C)(C)C1	2024122542	ILZVCWCVNMTIOG-MRXNPFEDSA-N	240.431	4.638	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@@H]1CC(C)(C)CC	2024122846	JYYVRZMCESDWKA-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CC(C)(C)C1(C)C	2025002948	DWOMNGAPAAXEQU-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CN(C1CCCCCC1)[C@H]1CCC12CCCCC2	2026982263	YAJFLLOLCFDPGW-INIZCTEOSA-N	249.442	4.754	0	10	BJAE	
Cc1cc(C(=O)CCC[C@H]2CC2(C)C)ccc1F	2027842772	LHMCRRWCFYOPBW-ZDUSSCGKSA-N	248.341	4.533	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)C[C@@H](C)c1ccccc1	2028255863	UGPGOSDOLYVKRJ-OIISXLGYSA-N	247.426	4.580	0	10	BJAE	
CC[C@](N)(CCCCCC1CC1)c1ccccc1	2028637567	RWHMSFOIYBMSCX-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
C[C@@H](CC1CCC2(CC1)C[C@@H]2N)C1CCCCC1	2030092195	XNDPKZHMHZKXPM-SMOLVSOFSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CC1)c1ccc(C2CCCC2)cc1	2031746666	QXCYUMNORSPVGD-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CCN[C@H](c1ccc(C2CCCC2)cc1)C(C)C	2031750408	SASICSPEONJNEH-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCC[C@]1(CC(C2CC2)C2CC2)CCCCCN1	2032170105	ZGFXPLUTAMZPFA-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(CC(=O)C(C)(C)C(C)C)cc1	2032290499	HHSVZIBKPKRBCG-UHFFFAOYSA-N	246.394	4.604	0	10	BJAE	
CN[C@H](c1ccc(C2CC2)cc1)C(C)(C)C(C)C	2032339244	NTDRNVJAGQDOEH-MRXNPFEDSA-N	245.410	4.507	0	10	BJAE	
N[C@H](CC1[C@@H]2CCCC[C@@H]12)C1CCCCCCC1	2032819908	BWYKJNPCMLTIAW-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC1(CCN[C@H]2CCCC23CCC3)CCCCC1	2033210199	IXLDNNRHVQMIBE-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@@H]2CCC(C)(C)C2)c1	2033391320	ZKDYGPILVIJMSV-CVEARBPZSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)C1CCCCCC1	2035595572	YHIKFHKEIUPUIC-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@H](C)C1CCC1	2035600864	QNUBFPKFSMZMDS-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCC1)C(C)(C)C1CCCC1	2035603037	YAYQZKOVLIBTNS-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@H]1CC12CCCC2	2036107050	PTJYLVOYLVSKMK-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(C2=CCCCCCC2)CCC[C@@H](C2CC2)C1	2037074228	GRZPFYNDFCZSBO-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@@H](N)c1ccc(CC(C)C)cc1	2037125661	LFFNTZOURSTFNK-CKEIUWERSA-N	247.426	4.567	0	10	BJAE	
N[C@@H](CCCCCC1CC1)CC1CC2(CCC2)C1	2037980387	XQEQTYBYSUQOLG-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H]2CCC23CCCC3)CC1	2041381396	ZRXKSKSKTSULBJ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)C1(C)CC=CC1	2042020391	WSBMCCLGWMULAI-INIZCTEOSA-N	247.426	4.601	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H](C)C1)C1(C)CC=CC1	2042025728	YBCFRECXNMOLCO-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1CCC1)c1cccc(C2CCC2)c1	2042738650	OPLICKYLVUGMIY-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1NCC(C)(C)C1=CCCC1	2043671216	YQRAMJJNUUXDLH-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
C1=CCC[C@H](Cn2ccc3ccccc32)CCC1	2045310253	BUABODPKMOATRG-HNNXBMFYSA-N	239.362	4.778	0	10	BJAE	
C1=CCC[C@H](CNCCCC2CCCC2)CCC1	2045332920	UBPONMOXILZECG-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@@H]1CC(C)=C[C@H](C)C1	2045762931	DSOOMCIFWZVDKD-RRQGHBQHSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@@H]1C(C)=CCC[C@@H]1C	2045805803	ITCHIMHTUPUZGZ-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C2(CNC3CCC3)CCCCC2)C1	2046212401	MYBCQGNOQQBDRT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@H]1CC12CCCCC2)c1ccc(N)cc1	2047021368	WINMUBUYHOALAS-ZFWWWQNUSA-N	243.394	4.733	0	10	BJAE	
N[C@H](C[C@@H]1CC12CCCC2)C1CCCCCCC1	2047021555	XRCPIAARRPDBTG-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1CC(N)(C[C@@H]2CCCC3(CC3)C2)C1	2049856176	LEBYHFJWPJYHOM-TUBUQKNSSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H]1CCCC2(CC2)C1)C[C@H]1CCCCN1	2049859199	QGHSCXBDBYJQJM-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC2(CC2)C1)C1CCCC1	2049863556	YLUKKNJYKSBANZ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1=CCCCCCC1)c1ccc(F)cc1	2050495042	PFRGYRDZXKCGTI-UHFFFAOYSA-N	246.325	4.679	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)C2(C)CCC2)cc1C	2052330919	HKFNGCZGNWSHON-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
CC1(CNC2CC(C3CC3)C2)CCCCCCC1	2056686932	FQDLDNYYPGZPHN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@]3(C(C)C)C[C@H]23)c1	2058561037	ARTPWLUTZBCNIS-BRWVUGGUSA-N	243.394	4.540	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2059004068	UDITVXFEUSOEEN-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)C2(C)CCCC2)CC1	2061095059	KOPIKDMHBWTXPU-CABCVRRESA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@H]1CCCCCCCC[C@@H]1NCC	2061560207	DCDPZXQBSZKFFJ-IRXDYDNUSA-N	249.442	4.836	0	10	BJAE	
CCN[C@H](CC[C@]12CCC[C@@H]1C2)C1(C)CCCC1	2061572845	UIDZWVTUZVSYQQ-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@@]23CCC[C@H]2C3)CC1	2061607645	RVCJPFSIMCKJMB-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C1CC(=C2CC2)C1	2061651012	RXZYNVNXTSVTGT-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC2(CC(C3(CN)CCCCCC3)C2)C1	2063791739	BBUQZGHGVOSGDS-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CC(C(=O)C23CCCC2CCC3)C[C@@H](C)C1	2063852513	PDWJBZCJFMXEPU-CFUBCSQMSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCCC12CCC(CC1)C2)C1CC1	2065339944	QPMJCARMTGAETR-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)[C@H]1CCC2(CCCC2)C1	2068270254	WEOXETGXQPVBMQ-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN(CC)c2ccccc2F)CCC1	2069268096	LDEKWYXDFWXXBW-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CC23CCCCC3)CCC1	2069281231	UUBFFPRLUDIKGW-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CCCc1cccc([C@@](C)(N)CCC=C(C)C)c1	2070294024	JJLPIHSCADKYNT-KRWDZBQOSA-N	245.410	4.559	0	10	BJAE	
CC(C)=CCC[C@H](C)NC1C2CCCC1CCC2	2070397481	HYMJJFWQHXXUBN-HERJZLIOSA-N	249.442	4.680	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC[C@@H]1CCC[C@@H]2C[C@@H]12	2070400778	YEGHXDYNETZQET-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C(=O)C[C@]12CCC[C@H]1C2)C1CCCCC1	2070959684	RDOJJJQVQIKSFB-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@@]1(N)CC[C@H]1C1CCC1)C1CCCCC1	2071788227	TXQWFFKMVJBIHT-COXVUDFISA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)CC2(C(C)C)CCC2)C1	2071937786	FQGCXAJGOJKLBO-BPUTZDHNSA-N	249.442	4.523	0	10	BJAE	
CC(C)C1(C[C@H](N)C[C@H]2CCC23CCC3)CCC1	2071943587	OLXLKCWOIJXBPC-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C(=O)c2cc(C)c(C)o2)CC1	2072699944	DZLQAURWTGXOQK-UHFFFAOYSA-N	248.366	4.686	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C2=CC[C@H](C)CC2)CC1	2072703051	UQRGKTGHUDYYID-OTRWWLKZSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2cc(C)ccc2F)CC1	2072794815	YCKXYODAUNMBMM-HDJSIYSDSA-N	249.373	4.762	0	10	BJAE	
CCC1CCC(CC[C@H](NC)c2ccco2)CC1	2072807394	VUEHETRENILFFD-NRXISQOPSA-N	249.398	4.537	0	10	BJAE	
CCC1CCC(CC[C@@H](NC)c2ccco2)CC1	2072807395	VUEHETRENILFFD-YMAMQOFZSA-N	249.398	4.537	0	10	BJAE	
CCC1CCC(CC(=O)C(C2CC2)C2CC2)CC1	2072870568	DMSMNSFJEUMNIY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)[C@H]1C[C@H]2C=C[C@H]1C2	2073290034	ZUBYRCSAGGTDPJ-QUSNUVHPSA-N	249.442	4.536	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@]12CCCC[C@H]1C2	2074027262	ZMJYARMQHRRNDR-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@@]12CCCC[C@H]1C2	2074030393	SWNOGPJZDOXOSD-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN2CCCCC23CCCCC3)CC1	2074588763	JLLGEKJDQLPLSD-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCCC1(C[C@]2(CNC3CC3)CCC[C@H]2C)CC1	2074627937	ZRHJEWKKZNBZKB-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)N1CC=CCC12CCCCC2	2075243649	HJPMOWONWHCNQK-MRXNPFEDSA-N	249.442	4.776	0	10	BJAE	
CC1(C)CCC[C@H](CC2[C@H]3CCCCC[C@H]23)C1=O	2076450543	NSNYUHZBVWRRBE-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1(CC2CC2)CCC1	2077187951	RLDQGOAQYLLIAD-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@H]2C[C@@H]2C(C)C)cc1	2079387598	XUOZIRFPRUWNPJ-IEAZIUSSSA-N	246.394	4.526	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2C[C@H]2C2CCCC2)CC1	2079492217	PDKAMYUERDBVKI-BGHVQYPCSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1ccccc1C(C)(C)C	2079654774	DPHUJAVNLGTEQC-KBPBESRZSA-N	245.410	4.832	0	10	BJAE	
CC[C@@H]1CC[C@]1(N)C[C@H]1C[C@H]1C1CCCCCC1	2079831973	LWOCJDRPMVMTDZ-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2081118951	QLYLJGZTHDZSPM-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCCCC1CC(Nc2ccc(F)cc2CC)C1	2081944443	JCMIEMPKXJWHNI-UHFFFAOYSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@]2(C)CC=CCC2)C1	2082980581	WNHSYTDYCQJQAD-RHSMWYFYSA-N	248.410	4.908	0	10	BJAE	
Cc1sc(C(=O)[C@@H](C)C(C)(C)C)c(C)c1C	2211700136	FAVUQFYCSTYXEY-SNVBAGLBSA-N	238.396	4.538	0	10	BJAE	
C[C@@H]1CC[C@](CN)(CCCCCCC2CC2)C1	2213571936	PBZLYAVHBQYWOU-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CCC(C)(CC)CNCCCCCCC1CC1	2213575364	FLYCIZZZZZJCJK-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)CC[C@@](O)(CCCCC1CC1)C1CC1	2214562030	CUUOCWIMMYDOSD-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NC)[C@@]1(C)CC=C(C)CC1	2215814526	QRCGWPWLVNNKKN-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](c1cccs1)[C@]1(C)CC=C(C)CC1	2215816931	KOVGVDVDRLCLAC-HUUCEWRRSA-N	249.423	4.535	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@@H](C)CCC(C)C)CC1	2215824716	WOLAWPSARPRHLN-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CNCCC[C@@H](C)CCCCCCCC1CC1	2216878706	DZUFLOATNZTMIW-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)C[C@@H]1CC[C@H](C)C1	2217157107	QJEBHTJPUYDJDI-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCCC1	2218329137	AOLOXANOGANTRR-LJIGWXMPSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)C1(C)CCC2(CC2)CC1	2220882091	WBONULUJVIGFNL-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)[C@@]1(C)C=CCCC1	2220882114	WDZUIJBEARQPGX-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)c1cc(C)c(C)cc1C	2220983082	AWRARYCSSYIZFI-GJZGRUSLSA-N	244.378	4.621	0	10	BJAE	
CC[C@@H]1C[C@H]1CCN1CCCCC12CCCCC2	2220991263	KYTGQGXREBTOCF-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@]1(C)CC=C(C)CC1	2221634434	ZNURKAOOOXRHOM-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](NCCC2CC=CC2)C1	2222263833	GDTJBBOGNXWYJH-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC1=CCCC[C@]1(N)CCCCCCCC1CC1	2223124194	OIQCBPPXCVSYBH-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC=C[C@H](NCCC)c1ccc(C2CCC2)cc1	2223698883	USNVYKNQFQIXTG-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)c1ccc2occc2c1	2224140759	ZIPWKRISGQFOHY-BLLLJJGKSA-N	245.366	4.520	0	10	BJAE	
CCC(C)(C)C(=O)CC[C@@H]1CCC[C@@H](C)C1	2242759658	HNTJQKYGBGYCIQ-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](C[C@H]1CCCCC12CC2)NC	2246600320	YJCPYOKEHYRUBN-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CC1CC2(CCCC2)C1	2246806591	BDBBDARRFRUHAR-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CCCC[C@H]1C[C@H]1C)CNC	2247166094	SSKMVEJEAOEFDG-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CCC2(C)C)CC1	2247441256	NPQMXPMMADKWEL-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(OCCCCC[C@H]2C[C@H]2C)c1	2248808373	RGOPTZYTZZDXES-CABCVRRESA-N	232.367	4.590	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](C)(N)CCC1CC1	2248867752	XJQDURABXXIBGR-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C(F)F)[C@H](C)CC	2250112405	NZMGJHZKJSELCE-FRRDWIJNSA-N	249.389	4.615	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC[C@@H]1CCC[C@@H](C)C1	2250361328	LQUSECMYQPHIRN-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H]1CCCCCN1	2250476237	NUWOIOHYWRRTCR-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)C1(C)CCC1	2250496688	UOTFMXOWJWRPDL-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(C)(C)C[C@H](C)N	2250513239	FGYCXNUDQNANGZ-GJZGRUSLSA-N	241.463	4.993	0	10	BJAE	
CCC1(CNCC[C@@H](C)CCCC(C)C)CC1	2250528304	MNZRIISWPXLXOA-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC1CCNCC1	2250530909	WHFTXVUVNLLPFO-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](C)NC[C@]12CCCC[C@H]1CC2	2251200402	DOSXDGRPFNJTHU-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](C)(O)C[C@]12CCCC[C@@H]1CC2	2251223195	ROALZVCYABSSGS-OWCLPIDISA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CC(C)(C)CCC1(C)C	2251677807	ISKVQZRZYFLGJN-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@@H]1CCCCC12CC2	2253815829	WIQWTXODOUIGEW-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
c1ccc2c(c1)ccn2CC1CC2(CCCC2)C1	2254045953	IFQGGJFDNBVOSS-UHFFFAOYSA-N	239.362	4.612	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(N)CC1CC2(CCCC2)C1	2254115795	QEXAJRBCJJMIML-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1C[C@H]2CCCC[C@H]21	2254586939	YSKZPSUYRFSBJC-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)[C@@H]1CC12CCCCC2	2254591833	MLHMRCCHNPJNHT-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@@H]2CCCCC23CC3)N[C@@H]1C	2259278561	CBLOHNJAQJBAKN-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1ccc(CC(C)C)cc1	2259438099	ODJXYUBXMPVMSH-RDJZCZTQSA-N	248.410	4.745	0	10	BJAE	
C[C@H](NC[C@@]12CCC[C@H]1CC2)C1CCCCCC1	2260595554	KFYCNFSGHUDWIM-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC([C@H](N)C[C@]23CCCC[C@H]2CC3)C1	2260604958	ODROEODWPDLKAE-MNSQOIKPSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@]12CCCC[C@@H]1CC2	2260654614	AAPZFOKSVHVHCD-BFYDXBDKSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@]12CCC[C@H]1CC2	2260671769	MYVGVBKTQWKYGJ-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)C[C@]12CCCC[C@@H]1CC2	2260677914	IAORXKGJSXURES-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1=CCCC1)C1CC(CC(C)(C)C)C1	2261200914	GJJCPRLAWBDNRJ-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC=C(C)[C@H]1CC(C)(C)CO[C@@H]1C	2297624057	SJQNVWHNHXDMMZ-HUUCEWRRSA-N	236.399	4.740	0	10	BJAE	
CCN[C@@H](CCCC(CC)CC)C1CCCC1	2300683479	KAFZNRVESBYJEU-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)=CCC1(C(=O)O)CCCCCCC1	2300860391	HAGXKFAIRYJUNI-UHFFFAOYSA-N	238.371	4.548	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)CC=C(C)CC)CC1	2300902858	YMXZXHMIWCQDNF-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)[C@@H](C)[C@@H](C)C(C)C	2301843707	LIBPJIPQOFAIKS-ZQDZILKHSA-N	241.463	4.575	0	10	BJAE	
CCC(=C[C@@H]1CCC(C)(C)C1)CNC(C)(C)C	2302705767	BKFYBWUGFQNMME-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@](C)(O)CC[C@H]1CC[C@H]1C1CC1	2303184267	XUUIWLMGAAXITC-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(CC[C@H]1CCC(C)(C)C1)CC1CC1	2304387120	LNYKQGRBVRLEQN-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2CCC2(C)C)C1	2304418801	TZSSBVBRVZSYRA-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)Nc1cccc(C(C)C)c1F	2307561021	LKAJJMFWRULJBV-GFCCVEGCSA-N	237.362	4.796	0	10	BJAE	
C[C@H]1C[C@@H]1c1csc(C2CCC3(CC2)CC3)n1	2307692783	ISCTUZXXXJKTPR-JQWIXIFHSA-N	247.407	4.704	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)[C@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309181355	YFTWQSXGOJWHPV-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	2310426564	FZSXNCMUHASRIE-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H]2C[C@H]2C2CCCCC2)C1	2311536800	CHBMMYFEBRXJGQ-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H]1N[C@@H]1C[C@H]1C1CCCCCC1	2311539223	XMSFEMJLHBOOOK-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](c1ccc(C)c(CC)c1)C(CC)CC	2314696359	CYLLUDWJHABJIW-QGZVFWFLSA-N	247.426	4.644	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H]1C[C@@H]2CC[C@@H]2C1	2316509034	NGYYACZWEVDLIC-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@]12CCCC[C@@H]1CCC2	2316542554	QXJDVPDOCITCGY-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CCC(=O)C12CC3CC(CC(C3)C1)C2	2316561986	FXORARKAQZVQNE-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
CC=CC[C@@H]1C[C@@H](CCC)CC[C@H]1CNC1CC1	2316568548	RBEPHFHGVOVFOI-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC=C(C)CCCC(C)C)[C@]12CC[C@@H]1C2	2316578891	JWCRRXBAFDBIBB-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
O=C(CC[C@@H]1C[C@H]2C=C[C@H]1CCC2)C1CCCC1	2317123670	GOWABVHJWQJDSU-IIAWOOMASA-N	246.394	4.518	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317144361	XHYYLOVWWNBIMI-KLHDSHLOSA-N	248.410	4.764	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)c1ccc(C2CC2)cc1	2317831283	NBECUHUEECFPHY-OLZOCXBDSA-N	244.378	4.675	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](O)c1cccc(C2CC2)c1	2317839954	UQDAFJSTKGOVJA-GDZNZVCISA-N	246.394	4.526	0	10	BJAE	
C[C@@H]1[C@H](C(=O)[C@H]2CCCCC23CCC3)CC1(C)C	2318241146	ODFLUUXUJMWFND-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)[C@]1(C)CC1(C)C	2318587538	UIWFDJAECFSYNO-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCCCC1CC1)CC12CCC(CC1)CC2	2318878373	OQORGEUXZFKHNW-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC[C@@H]1CCC(C)(C)C1	2319022284	SWOAWMJIIAABAE-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)[C@H]2CCCC3(CC3)C2)C1	2319325618	HUOZFHWZIMFMSY-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CCCC[C@@H]2C[C@@H]21	2319442964	HWSLLZSRUDMLEY-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
CCCC[C@@H](O)[C@@H](c1ccccc1)C1CCCC1	2319597452	NAWBAGRDCVISMX-SJORKVTESA-N	246.394	4.512	0	10	BJAE	
CCc1cccc(C(=O)[C@@H]2CC[C@@H]2C(C)(C)C)c1	2320153443	HPIHYRWHDYANIS-CABCVRRESA-N	244.378	4.504	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H]2Cc3ccccc3N2)CC1	2320411718	LFZZCIKAAJCZKR-HOCLYGCPSA-N	241.378	4.550	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CC2CC(C)(C)C2)CC1	2320412768	POYYYDQAYOLHEG-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC[C@@](N)([C@@H](CC2CC2)C2CC2)CC1	2320762660	QDDZMVNVANRCBL-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(CC[C@@H]2CCC(C)(C)C2)C=CCCC1	2321617412	VMRIKRGPTKCLRH-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCCc1ccc(NC[C@H]2CC=CCC2)cc1	21504087	QDDYMVCQVGXTIL-INIZCTEOSA-N	243.394	4.797	0	10	BJAE	
CC[C@H](Nc1ccccc1C)c1ccc(C)cc1	21511358	VZHPQPPAXQRDGA-INIZCTEOSA-N	239.362	4.867	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(Cl)c(Cl)c1	37200397	XWXAJEYHQRFJCY-SECBINFHSA-N	246.181	4.984	0	10	BJAE	
Cc1cc(C)c([C@H](C)N[C@H](C)CC(C)C)c(C)c1	37261080	VGFFFTMDRXPHQQ-CVEARBPZSA-N	247.426	4.697	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@H](CCC)NC	70745501	BOVBMNUDYWMOBG-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@](N)([C@H]2CCC[C@@H](CC)C2)C1	71154472	JUNWXNJOSJIBMT-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
Fc1c(C2CCCC2)cccc1C(F)(F)F	75840481	IWQYLLIUZKWLHH-UHFFFAOYSA-N	232.220	4.502	0	10	BJAE	
Cc1cc(O)c(C(C)C)cc1C1CCCCC1	75841225	VBHQALFSANFPDD-UHFFFAOYSA-N	232.367	4.872	0	10	BJAE	
CC(C)C(=O)CCC[C@H]1CCCc2ccccc21	80384344	WCDURLBMWCUHMN-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cccc(C(C)C)c2)C1	80427959	LWEGPVJVHXAWOM-CJNGLKHVSA-N	231.383	4.801	0	10	BJAE	
CCCCCC[C@@H](C)Nc1nc(C)c(C)s1	83532811	ILQLKTKIZXEJRD-SNVBAGLBSA-N	240.416	4.531	0	10	BJAE	
CCc1cccc(C)c1NCC1CCCCCC1	89559705	GECPSERJVKRYOZ-UHFFFAOYSA-N	245.410	4.940	0	10	BJAE	
CCCN[C@H](CC)[C@@H](CC)c1ccc(CC)cc1	92596520	RGLKZVXKGXMELN-DLBZAZTESA-N	247.426	4.521	0	10	BJAE	
CC/C(=C\c1ccc(C(C)C)cc1)CNC(C)C	92726113	PQVYJTCITXTVHZ-RVDMUPIBSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@H](c1cc(C)oc1C)C1CCCCC1	110227845	XPRVNZWBRRFVGO-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
CC(C)(C)c1cc(Cl)cc(C(C)(C)C)c1	111350362	UMPNQCBQSXTKID-UHFFFAOYSA-N	224.775	4.935	0	10	BJAE	
C[C@H]1CCC(=O)c2cc(Cl)c3ccccc3c21	136910245	UPXQMKGNKLILSB-VIFPVBQESA-N	244.721	4.573	0	10	BJAE	
Fc1cccc(-c2ccc3ccccc3c2)c1	147682636	GXFPULGFQXLJJM-UHFFFAOYSA-N	222.262	4.646	0	10	BJAE	
CCNC[C@H](CC(CC)CC)c1ccccc1C	149142407	FCQYSSQNJOPJQR-INIZCTEOSA-N	247.426	4.514	0	10	BJAE	
CCCNC[C@H](CC[C@@H](C)CC)c1ccccc1	155724312	QGITZBJMDSBYHN-RDJZCZTQSA-N	247.426	4.596	0	10	BJAE	
CCCCCC[C@@H](NCC)c1ccccc1CC	158501479	NBTIWJUPKYTKIO-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CCC[C@H](NCC)[C@H]1CCCC[C@@H]1C(C)(C)C	212613271	KKXYGHBEWYZDFF-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CSc1ccc(N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1	221618359	BWXYBYHJXPFUPD-SLEUVZQESA-N	249.423	4.645	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@@H]1CCCC1(C)C	226557527	YFZJALNVRIVJLM-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CCCCC1(C)C	226818807	UVKBSRWQZASTNA-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](c1ccccc1C)C1(CC)CCCC1	229437275	YTFYKGHSZCDTEX-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
Cc1ccc([C@H](C)NCC(C(C)C)C(C)C)cc1	229537042	GRVWAZJKMOXFMW-HNNXBMFYSA-N	247.426	4.574	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@H]1NC(C)(C)CC(C)(C)C	235573875	IIIUVDGBVNIVMV-QWHCGFSZSA-N	239.447	4.616	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2ccccc2Cl)C1	235682199	YUHQLYHRUGNVFQ-YPMHNXCESA-N	249.785	4.744	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C[C@H](C)CC[C@H]1C	251269506	CVAKCHBNBUTKJR-LVQVYYBASA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CC[C@H]2CCCC[C@H]2C1	251372423	QRNUOVYHAGGVNC-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)C[C@H](C)CC	251414741	XSAIYVKHDLIJOH-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@@H](C)CC(C)C	300836381	CPYOHACWDPTEJM-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(O)CCC1CCCCC1	302242619	GDGWOJIKIRZGLC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CCCC(C)(C)C)C(=O)c1ccccc1	304135374	CJZHFPWSOQZBQB-CYBMUJFWSA-N	232.367	4.722	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](O)CCC1CCCC1	305905373	CNLJSYZHLUHNSQ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](NCC)C1CCCC1	308047645	ITHWRHJEQUTHFD-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](C[C@@H](C)CC(C)C)NC	308059800	GFOADXSZHRTBNH-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)c1csc(-c2ccsc2)n1	308887428	XCWCVUQAVJKKPG-UHFFFAOYSA-N	237.393	4.559	0	10	BJAE	
C[C@H](CCC1CCCCC1)C[C@H]1CCCCN1	310250594	NXMDWSBBIPJIRQ-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CC1(C)CCCC1	310385455	JZJTUJRAARQBSF-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)C[C@H](C)C1CCCCC1	310552380	GUPZYEYDZSIMBZ-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
C/C=C\CCN[C@H](C)c1ccc(C(C)(C)C)cc1	310596293	RZTZLZCBVGQCHD-LMVHVUTASA-N	245.410	4.601	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)c1occc1C	310690151	PRGYUDKSXMIQTA-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCC1(CNC(C)(C)C)CCC(C(C)C)CC1	317965971	KPFVFYURDJJPQH-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@H](N)[C@H]2CC[C@H](CC)CC2)CCC1	328492037	XXQKCNUSBDROPK-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC2=CCCCC2)CC1	379581598	MFBKEZKVJZEMIZ-NVXWUHKLSA-N	249.442	4.825	0	10	BJAE	
CCc1cc(Sc2ccccc2)ccc1C	380499776	DDTQAXYZDBFMIC-UHFFFAOYSA-N	228.360	4.709	0	10	BJAE	
CCCN[C@H](CCCCCC(C)C)C(C)(F)F	383399885	RTCWFFIBADFKJX-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CC1(C)CCCC1	383958196	JDKXZFWTWBJJLS-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CCC1=CCCCC1	385626820	AQFPXKJDEMKIOS-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@H]1C[C@@H]1CC	387686569	UEEVYFNERSFAJW-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)c1ccccc1C	398649976	KWSHRHPMHMGCQY-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
C[C@H](CC(=O)CCC1CCCCC1)C1CCC1	398776745	BSNFVLUSBZKEFA-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCCC1CCC([C@H](N)CC2=CCCC2)CC1	401122945	OPAIINHVKUIRAK-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1c(C)cccc1F	401795605	IGQRCFNUUIHJLO-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@H]1CC=CCC1	402344646	RQWUOTVQZCRXNW-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@]1(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCCN1	403854661	UNXFDZBDMQSHMD-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)Nc1ccc2c(c1)CCCCC2	404622892	AUCGPSAAIIMPSY-ZDUSSCGKSA-N	231.383	4.556	0	10	BJAE	
CCCN[C@H](CC(C)(C)C1CC1)[C@H](C)CCC	405729458	LJAJSITYMVKMCP-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1cccc([C@H](N)C2CCCCC2)c1	687725577	HVPYKKBMFGGXSE-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CCSc1cccc(N[C@@H](C)[C@@H](C)CC)c1	689701906	YNNCLGODFAWHLG-RYUDHWBXSA-N	237.412	4.645	0	10	BJAE	
CC(C)CCCCC[C@H](O)C1CC2(CCC2)C1	691957340	SIULSZGFRGPVHM-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](CC)C[C@H](C)CC	695061887	PGRXWZJHBDSNEX-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1CCCCC1(C)C	696577528	YKXNWHYIULJPJI-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCC[C@H](N)C[C@H](C)CC(C)(C)C	697778040	SRLNYFGKLDNVBK-KBPBESRZSA-N	225.420	4.523	0	10	BJAE	
CCSc1ccc(C(=O)CCC=C(C)C)cc1	697779022	AOTHXFTUILIZRE-UHFFFAOYSA-N	248.391	4.728	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)C2(C(C)C)CC2)cc1	700034267	GJJQVKXMWMTWRO-XJKSGUPXSA-N	246.394	4.670	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)C1CC(C)(C)C1	701431522	KXJAGVJELGGJGI-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(Cl)cc1NCCCCC(C)C	703987259	OZXUQHMJXHTIKN-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@H]2CCCC23CC3)CC1	706290415	RCWJAPMYBVQPKF-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@H]2CCC[C@H]21	707736286	IGXTUVYIWPVQNH-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@H](C)CC(C)(C)C	708304375	UOONRGPQNWLVHF-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](NC[C@H](C)CC(C)(C)C)C1CCC1	709077596	TUCWATCGTHIDEV-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1N[C@H](C)[C@@]12CCCC[C@H]1C2	709117893	ZDRUMACFIZFRKU-KMFMINBZSA-N	243.394	4.630	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(N)C1CCCCC1	709213592	NDNDSDMSOQFVTE-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@@](C)(N)CCC(C)(C)C)C(C)(C)C	710810390	AHXQHVUBHPLGHR-DOMZBBRYSA-N	227.436	4.602	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC(C)(C)C(C)C	713221832	MCXNQFOPKNQPFI-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CC(C)(C)CC)CC1	713242323	ILOFWFDYLPDXMV-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
C=C/C=C\CCCc1nc(C(C)(C)C)cs1	713634227	OPQUQTXMOUPHDM-SREVYHEPSA-N	235.396	4.506	0	10	BJAE	
C=C/C=C/CCNc1ccccc1C(C)(C)C	713640683	GDGCPNOFBQCRCU-VOTSOKGWSA-N	229.367	4.528	0	10	BJAE	
C=C/C=C\CC[C@H](C[C@@H](CC)C(C)(C)C)NC	713671346	BOBXCZGDDKWLEQ-KMUBWGIJSA-N	237.431	4.559	0	10	BJAE	
C=C/C=C/CC[C@@H]1CCCCC[C@H]1CNC(C)C	713712955	XSOHWTMRBCDNIS-WBXGCANISA-N	249.442	4.703	0	10	BJAE	
CCCC1CCC(N)(CC[C@H]2C[C@@H]2C2CC2)CC1	714770970	MDGDCOQXPWFZTM-CBUUIXETSA-N	249.442	4.501	0	10	BJAE	
NC[C@@]1(CCC2CCCCC2)CCC=CCCC1	718980988	WMEQVHCRXPSSBV-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
CCC[C@H](C)C[C@](N)(CC)CC1CCCCC1	720357233	GGQLTEBXKXJRPZ-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(CC)[C@@H](N)Cc1ccc(C(C)C)cc1	721701184	DCEWJMBVXORBJU-INIZCTEOSA-N	247.426	4.506	0	10	BJAE	
C1CCC(CCCN2CCCC3(CC2)CC3)CC1	1644027678	WREKGJNAWVSKTB-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CC=CC[C@@H](NCCC)C(CC)(CC)CC	1900843488	UEWPJJXKKOKFMB-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC(=CCc1scnc1C)CCCC(C)C	1900902398	DCOHEOPCYARDKT-UHFFFAOYSA-N	237.412	4.767	0	10	BJAE	
CCC(CC)c1cc(C(C)C)ccc1OC	1901881970	YVZJSPFLHFXUEI-UHFFFAOYSA-N	220.356	4.722	0	10	BJAE	
CCC[C@H](C)C(=O)CC[C@@H]1CCC(C)(C)C1	1903411871	OOHYYPMMCRSVOT-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)CC(C(C)C)C(C)C	1909141950	XVXCSQYULVSXJP-UKRRQHHQSA-N	238.415	4.556	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CCC=Cc1ccccc1	1911792886	GRHWWRQLKNYBIH-OAHLLOKOSA-N	244.378	4.731	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(F)c(C)c1	1911870992	VNQQZPHXKMMCIH-GFCCVEGCSA-N	206.304	4.594	0	10	BJAE	
Clc1ccc(NC2CC3(CCCCC3)C2)cc1	1912700075	CGXNSCWDIUIJTI-UHFFFAOYSA-N	249.785	4.865	0	10	BJAE	
Cc1c(Cl)cccc1CC[C@H]1C=CCC1	1913218047	WVLLMMBRLSMPLN-LBPRGKRZSA-N	220.743	4.547	0	10	BJAE	
CCC(CC)[C@H]1CCCCCCCCC1=O	1913389721	MOWOYELYCGHCRL-CQSZACIVSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1O	1915996329	XWOVZVHDQHNBMK-IBEHDNSVSA-N	240.431	4.636	0	10	BJAE	
CCC1CC([C@@H](NC)c2ccc(C(C)C)cc2)C1	1921203787	MOSKNACCLCUVPU-IMRCBTMISA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@@H]1CCCC12CCC2	1921603527	NSEXOIPZUVSFDQ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1cc(OCc2ccccc2)ccc1C(C)C	1923665616	XFERZJWOHMSRFR-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CC(C)NC[C@](C)(CC(C)(C)C)C1CCCC1	1924119024	NAELSVHTUYTELH-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC(=O)CC1CCC(C)(C)CC1	1926139364	NSORAFJDMQDGHT-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C[C@@H]1CCC[C@H]1C	1926189215	LZYDRPQXBBOUQX-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC1CC(CC(=O)c2ccc(C3CCC3)cc2)C1	1927015346	IPSBZUGYWGEOBV-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC1(C)C[C@@H]1CCCNc1ccc(Cl)cc1	1935935109	FYGMOOBOQLOXGX-NSHDSACASA-N	237.774	4.578	0	10	BJAE	
CC[C@H](C[C@@H](N)c1cc(C)cs1)C(C)(C)C	1939454351	WKKMAMAFVRQEQE-VXGBXAGGSA-N	239.428	4.519	0	10	BJAE	
CC1(C[C@](C)(O)C2CCCCC2)CCCCC1	1940410505	RLZZMXAXMDUNLZ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CCC1CCC1)NCC	1941269550	SAHVJTLHPLOBKN-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccccc1CC(C)C	1941843382	BKISUMYYXGJUOG-ZDUSSCGKSA-N	232.367	4.504	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)C1CCCCCCC1	1944835559	CSDBKENKPJQHMU-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)C[C@@H]1CCC[C@H]1C	1944848356	DMDJALBNRDWDOB-UGUYLWEFSA-N	240.431	4.636	0	10	BJAE	
CC=C[C@H](C)N[C@@H](c1cccs1)C1CCCC1	1947046769	IEINZFXQSKTCOJ-SWLSCSKDSA-N	249.423	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc(C)cc1F	1947454445	BCKODDWKPIIRGN-TZMCWYRMSA-N	235.346	4.515	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCC[C@H]2C(C)C)c1	1947460383	GDDXWCOCXWOKPI-GJZGRUSLSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@@H](C)CC(C)C	1948324919	DMGRRWPNQMJRFI-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
CC=C[C@H](C)Cc1cc(C)cc(C)c1OCCC	1951308836	OWLSKFOXPHGHIX-ZDUSSCGKSA-N	246.394	4.847	0	10	BJAE	
CCc1cccc(C)c1NC[C@@H]1CCC2(CC2)C1	1968262328	IYLKOEGUIMZRMM-CQSZACIVSA-N	243.394	4.550	0	10	BJAE	
Cc1cc(C)cc(NC2C[C@H]3CCCC[C@@H]3C2)c1	1968308316	UWESKZDMTRAYQF-HUUCEWRRSA-N	243.394	4.684	0	10	BJAE	
C[C@@H]1[C@@H](N[C@H]2CCCCC23CCC3)CCC[C@H]1C	1972828904	GJYUZPKCPSOSQV-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H]1C1CC1)C1CCCCC1	1973479657	RAUBQBSWMYBNEB-IXDOHACOSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H]1CCC(C)(C)C1	1990093556	MIMLPJMDSGBMGO-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC1CC(CC(=O)CCCC(C)(C)C)C1	1994826472	OCUDMCCMUFMALQ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C1CCCCC1	1995252932	AYWJQARCGLVJFW-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC/C=C/CNC1CC(C)(C)CC(C)(C)C1	1995866488	BQNWCKCKYZUFRN-CMDGGOBGSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](O)[C@H]1CCC[C@@H](CC)CC1	1997118360	XDDLQWNSPDGQGG-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@]1(C)CC=CCC1	1997582694	FVJBDQVLCVHBDR-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H]([C@H]1C=CCCC1)C(C)(CC)CC	1998376235	BJVBKINQJKFXPE-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@H]([C@H](N)C[C@H]1CCC=CCCC1)C(C)(C)C	1999994133	RHHAEMGTYYKVEY-QLFBSQMISA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H](CC[C@@H]1CCC=CCCC1)NCC	1999995702	IHRDIFSFNYKZTK-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@H](C)CC(C)C	2000294285	QQKAQTOYEPZWDW-IVMMDQJWSA-N	236.399	4.620	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@@H]1C[C@@H]1CC	2000499198	HZFDCFKXDGIVDZ-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](C[C@@H](CC)C(C)(C)C)CC1(C)CC1	2002513348	AGYMJSLQQUOVFH-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@@](C)(O)C[C@H](C)CC)CC1	2002925794	UHECYFLYHHXHOS-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC)CCCC(C)(C)C1	2002994979	YTQWBUZXXVWQPJ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H]1CC[C@H](CNC2CCC2)CC1	2003107885	HCBLCRVGYMVVQZ-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](O)(CC)CC1CCC2(CC1)CC2	2003192804	VRGZLMXJXDJKMA-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)=CC[C@@]1(N)CCCCC12CCCCC2	2004224752	FFELTWIHTYICTM-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1=CCCCC1	2004232571	GMUFVWLILUORST-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CCC1(CC)CCC(N)([C@H]2CC[C@H](C)C2)CC1	2004340455	AOVSRVDSRTZOMD-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)NCC1(C)CCCCCCC1	2004936795	FLVQYZMALOOWFL-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CCCCC12CC2	2005609617	JVTHSBDXHKALCJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](CC2CCC=CCC2)C1	2006667029	OKYAAWZRMXFNQV-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
CCC1(CC(=O)[C@H]2CCC[C@H]2C(C)C)CCC1	2007621767	GNQOVPCWCDNUGT-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(C[C@@]2(N)CCCCCC2(C)C)C1	2007738818	RSPXVBISFOVHGG-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CC1CC(CC)C1	2007755179	VWKWCKAMALDHTA-CKUJCDMFSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCCCCC12CC2	2011277024	HFEGUOGPYCNDCA-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](CCC2CCCCC2)N1	2013526488	OIJDXIMREZSDNI-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CC1([C@](C)(O)CCC2CCCCC2)CCCC1	2014326896	SSXIRMXTEPBALG-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H](C)C1(C)CCCC1	2014337273	COGBKMQJNUGBSV-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@](C)(O)CCC(C(C)C)C(C)C	2015333494	CODGWKPJOPCGQT-MRXNPFEDSA-N	242.447	4.882	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](CC(C(C)C)C(C)C)C1	2015380075	RNCLNYPGCWRSLK-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(CN)CCCC(C)(C)CC1	2015410279	URBMDSXATBBFJO-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
CCCC1(CN2CCCCC[C@@H]2CC)CCC1	2015585119	YNSUFWGWOMRTKV-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCCC1(C[C@H](NC)C(C)(C)C(C)C)CCC1	2015642922	VZSODKFHFVNXRI-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@H](CCCC(C)C)NC)CCC1	2015643811	GRVVARRIEUMKND-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@@H]2C2CCC2)c(Cl)c1	2017042533	JFYOFIXCNXFGSM-OCCSQVGLSA-N	249.785	4.639	0	10	BJAE	
CCC[C@](O)(CC1(C(C)(C)C)CCC1)C1CC1	2017114603	NMYIFTVWVICPPP-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](CC=C(C)C)NC)CC1	2017654455	DMXRIVSKEXTRPQ-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CC[C@@H](C)C2)CC1	2017765103	HJCXHDWKJMUNCN-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(C[C@@H]2CC[C@H](C)C2=O)CC1	2017772102	NQCCDWZLRGNPGT-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@]1(CC)[C@H](CNC(C)C)C1(C)C	2018133130	AIGICINCMIXZTF-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)NC1C[C@@H](C)C[C@H](C)C1	2018139521	SJNCYXVIOALKIV-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC3(CC3)C2)c1	2021789069	XUANEKGOFUFTPS-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
CC[C@](C)(CCCCC(C)(F)F)CNC(C)C	2023287621	KOVMNJLABRDUCY-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCCCCC(C)(F)F	2023295332	DVKCUFPNSSWTOK-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CCCC(C)(C)C1)NC	2024095003	ODXBDSAWBBRVQJ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@@H](C(C)C)C2)c(C)c1	2025571624	DGQJEZDNAWBJIB-CABCVRRESA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCC)c1ccoc1	2026170750	SDSOMGHTYLJZCV-ZFWWWQNUSA-N	237.387	4.537	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)C(C)(C)C2CC2)cc1	2028109434	JDITWTHZLRHSGB-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)c1cccc(C2CC2)c1	2028559874	KTUHFOQDQJIGIG-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CC(C)(C)CC3(CC3)C2)C1	2030289341	XRCZFIQWKKMIDH-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)C(C)(C)C(C)C	2032346695	PNZUFMXUSROLMY-INIZCTEOSA-N	247.426	4.753	0	10	BJAE	
CC(C)(CN[C@H]1CC12CCCC2)C1CCCCC1	2034028032	NWKCONBLIPGGRX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@](CNC(C)(C)C)(C[C@@H]2C=CCC2)C1	2035591101	VKBTVIHNZJTDSJ-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCCCc1ccc(N[C@H]2C[C@@H]3C[C@@H]3C2)cc1	2035797574	AMCWOFJYOHULSS-SCAQPMJSSA-N	243.394	4.630	0	10	BJAE	
NC1(CCCC2CCC2)C[C@@H]2CCCCC[C@H]2C1	2035853545	VFBWYJARUCUVHI-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)[C@@H]1CCC2(CCCC2)C1	2037591373	DCNFOLKXCVMLEE-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@](N)(C1CCC1)[C@@H]1CCC2(CCCC2)C1	2037595024	QOCFLSMTWFGLQK-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(CCN[C@H]2CCC23CCCCC3)C1	2038097770	ZYKPKNMEACZKKO-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C[C@@]2(N)CC23CCCCC3)C[C@H](C)C1	2039009729	SIPOMRJREFIDEX-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)[C@H]1CCCC2(CCC2)C1	2041300928	SFGDWVKLTOBELC-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)C1CC2(CCC2)C1	2043547520	QUWXTCQKOMIGAR-SQWLQELKSA-N	249.442	4.514	0	10	BJAE	
NC1(C[C@@H]2CC=CCC2)CC2(CCCCCC2)C1	2046230207	OINYDKASLBSQKS-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
N[C@@]1(CCCC2CC2)CCCCC12CCCCC2	2047562116	LEYLWQIDPGJLBO-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@H]1CCC12CCC2	2047943520	RUZSUUJSQXDBEU-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC1[C@@H]2CCCCC[C@@H]12	2048389861	PQVIWYLAQBBAPG-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@H]1[C@H]2CCCCC[C@H]21	2048439653	NUDCUOCMUGNETA-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(N)(C[C@H]2[C@H]3CCCCC[C@H]32)CC1	2048445880	DHFRQPLUJKQWIV-QDMKHBRRSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C[C@H]1[C@H]2CCCC[C@H]21)C1CCCCCCC1	2048450683	BWYKJNPCMLTIAW-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1[C@H]2CCCCCCC[C@H]2C12CCCCC2	2049672266	KOIXFGRHADWWMM-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@@H]3CCC[C@H]32)CCC1	2049682616	WOMFCSANCGJCMM-USXIJHARSA-N	249.442	4.658	0	10	BJAE	
CC(C)CC[C@](N)(C[C@H]1CCC2(CC2)C1)C1CC1	2049861754	VHBPBOQKEYYQHU-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049862491	WKZRMVGODVAZQJ-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@]1(C)C=CCCC1	2050008708	JSNAIGZFIFBVHQ-QGZVFWFLSA-N	242.362	4.739	0	10	BJAE	
Cc1ccccc1[C@@H](O)CCCC[C@H]1CC1(C)C	2050439920	DJSCHIVBVGRUFF-HOCLYGCPSA-N	246.394	4.635	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CC(=O)c1ccccc1C	2050449595	IWQKMRCPTCKGMN-GJZGRUSLSA-N	244.378	4.784	0	10	BJAE	
CN(CCC1CCC1)C1CCC2(CCCC2)CC1	2051642108	AGFGZQBUFNULOZ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1CCCCC12CC2	2053410038	CUTRIUUBOVTKGV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1CCCCC1)[C@H]1CCCCC12CCC2	2053413599	UXFPPQCDQNMPJH-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1C=CCCC1(C)C	2055541908	KQJPQWHBTFOLCJ-GOEBONIOSA-N	249.442	4.680	0	10	BJAE	
CC1(CCC[C@@H](N)C2(C)CCC3(CC3)CC2)CC1	2056556428	IELIMRXGAXJRGA-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)C[C@@H]2C=CCCC2)CC1	2056557211	RCIHVGRICOKVHZ-HUUCEWRRSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@@]1(C)C=CCCC1	2056875245	FCXIRTREADVEAF-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)C=C1CCCCC1	2056880235	AMDVWYQPUNUJCL-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CC1CCC(CC(=O)C[C@@H]2CCC[C@@H]3C[C@@H]23)CC1	2057357560	LSROMUVOFCWPRY-RDCKGOQXSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](O)c1ccccc1CC(C)C	2059223457	NERUMBKUBJUISJ-BDUNBXCCSA-N	246.394	4.665	0	10	BJAE	
CC1(CCC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	2059243374	OXLFHQRZTBLHBU-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
CCCC1CCC([C@H](N)C2=CC[C@@H](C)CC2)CC1	2060926898	UQRGKTGHUDYYID-RKHAHWSXSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@@H]1C[C@@H]1CC	2061147281	NCAVJBDQDHIZDW-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CC1(CNC2CC(=C3CCC3)C2)CCCCCC1	2061250360	ICPBLRNXLBXEQA-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C[C@@H](NCC[C@]12CCC[C@H]1C2)C1CCCCCC1	2061572955	UUENVNRWMPCYBR-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)C1CC(=C2CCC2)C1	2061728741	NYJWQHNOTZJHSP-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
N[C@]1(C[C@@H]2C=CCCCC2)CCCCCC12CC2	2062010831	ZSIDQIGJJCDETI-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1=O	2063427475	NJGNKJNZEMCPKL-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@H]1C[C@@H]2CCC[C@@H]2C1)c1ccc(N)cc1	2063495257	AQUYBGNFPGQUAF-XOUADPBQSA-N	243.394	4.589	0	10	BJAE	
CCC1CCC(C(=O)C2C[C@@H]3CCC[C@H]3C2)CC1	2063500014	FGOGSAWATIHLOZ-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063501161	MSMBQXVOEYSUMH-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCCC1)C12CCCC1CCC2	2063851045	HYCBPKZODSQDBC-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CN[C@H]1CCCCC[C@@H]1CC12CCC(CC1)CC2	2065335522	QHFJZKWLOYMTSU-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CCC(C)C)c1ccccc1C(C)C	2065993467	TVNIVWFMNCJILM-KRWDZBQOSA-N	247.426	4.810	0	10	BJAE	
C[C@@H](NC1C2CCCC1CCC2)C1(C)CCCC1	2067516876	JMTHUECMUZZPPF-JYLOXXHMSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C[C@]1(C)C[C@@H]1C)c1ccc(C(C)C)cc1	2070965657	CGYNVGLQUIGMRE-XKQJLSEDSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C[C@@H]1C[C@@H]1CC	2071505648	POMPSTFHLRBFAK-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H]1CCCC12CCC2	2072419006	WJKBSFQGKDZJDP-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@](C)(N[C@H]2C=CCCCCC2)C1	2072612915	XFCNTWHXNHINEH-RDJZCZTQSA-N	249.442	4.824	0	10	BJAE	
CCNCC1(C[C@@]23CCCC[C@@H]2C3)CCCCC1	2074032957	IHFOQBZKUQPORL-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CC[C@@H](N2CCC23CCCCCC3)C[C@H]1C	2074801861	JKKWFAUZVKMRPW-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)[C@@H]2C=CCCCCC2)CC1	2074802614	RADBHYBQKODYAR-ZACQAIPSSA-N	249.442	4.776	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC[C@H]2CCCC[C@@H]21	2074896713	RCPHQJIKFOXTBH-NCOADZHNSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CCC12CCC(C)CC2	2074898367	CAYQULDQSAXHBT-VUROTCPHSA-N	249.442	4.610	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CC1CC2(C1)CC(C)(C)C2	2079487508	RALLFMDVWPSBIX-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1OC[C@H]1C[C@H]1C(C)(C)C	2079810808	CODYZSZFLMSYFB-HUUCEWRRSA-N	246.394	4.700	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC[C@H]2CC23CC3)CC1	2086418421	NBOPMFAPAUQSJY-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1c(Cl)cccc1OCCCCC1CC1	2211116614	FBCUMWIDTGBYEI-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CCCCC2CC2)C1	2214558226	OEXNJLLPPNTDKA-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](n2ccc3cccc(F)c32)C1	2214769817	SPFGEGIAGAIMOG-DGCLKSJQSA-N	231.314	4.532	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H]1CC[C@@H]1C)NCC	2214955938	PNRDLDXHVGGYQL-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)c1cccc2ccsc12	2215061813	KLKUCKWPZMKVOQ-ZYHUDNBSSA-N	244.359	4.520	0	10	BJAE	
CCCCC[C@H](CC[C@H]1C[C@@H]1CC)NCCC	2215258562	VJIJYVKRTXTERG-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC(=O)[C@H](C)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216736015	FVUNTISEJLVPES-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)(C)C)C1CCCC1	2217125366	OTCZEXAARCPJPS-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CN[C@H](C)CC)(C[C@H](C)CC)C1	2217127678	DXSGLSWEXQGMBD-WXLSXGNJSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@]1(CN[C@H](C)CC)CCC[C@H]1C	2217153912	PGVTVGRVQFMAPR-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
N[C@H](CCCCC1CC1)c1ccc(C2CC2)cc1	2220030337	KYHFPLNZZRIQCQ-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@@]1(C)CC=C(C)CC1	2221624166	MSVFAXYFLUGIES-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCNC[C@@]1(CC2CCCCC2)CC=C(C)CC1	2221668163	XYIFIYVGQUONSW-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H]([C@@H](C)c1ccc(C)cc1)C(C)(C)C	2223963663	KXWUEFIPBPWBLR-HOCLYGCPSA-N	247.426	4.513	0	10	BJAE	
CC(C)C[C@@H](N)CCC[C@H]1CCCCC12CC2	2246618893	ZAKBBUUFTDTZSV-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2CCCCCC2=O)C1	2246656070	IUIDLUQUYBTILK-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@](C)(O)C2(C)CCC2)C1	2246684912	RLCFWKDRBZOPTL-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(NCCCC[C@H]2C[C@H]2C)cc1C	2247113909	FZYMLFRXCJJTKV-CABCVRRESA-N	231.383	4.542	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C[C@H]1CCC1(C)C	2247412851	CYOWXJAJMYLUKX-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](CC1=CCCCC1)NC	2247528127	SNDNCGSHPCYSRW-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)C1=CCCCCCC1	2250358162	KKUZBJFGDSXNHN-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCN(CC[C@@H](C)CCCC(C)C)CC(C)C	2250467945	XXSFHMSBYCXWIG-INIZCTEOSA-N	241.463	4.817	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C1CC(CC(C)(C)C)C1	2251536216	CQVPFGVXSKCYAP-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H]1CCc2cccc(C)c2N1	2253869520	DPUBRXFZLMUUKS-BZUAXINKSA-N	243.394	4.548	0	10	BJAE	
Fc1ccccc1NCC[C@H]1CCCCC12CC2	2253889227	DQMKAPKYBIZVNJ-CYBMUJFWSA-N	247.357	4.598	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@H](C)C1)[C@@]1(C)C=CCC1	2253937083	UYOWHTBDFLRSJT-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CC1CC2(CCCC2)C1	2254118183	DKYUUXLIVVBGPN-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCCC[C@H]1C[C@@H]1C)CC1=CCCCC1	2254509601	GHLYRWAOGOMSDK-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC[C@@H]2C[C@H]2C)c(C)c1	2254610085	NXOWZIRIKOGWBV-UNEWFSDZSA-N	245.410	4.520	0	10	BJAE	
CC(C)CNC[C@H]1CCC[C@@H]1CC1=CCCCC1	2255097425	SJTKSFBHTMBKKC-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H]1C[C@H](CC2=CCCCC2)CC(C)(C)C1	2255138053	SPSLDMUEBSOEBV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
N[C@@]1(CC2=CCCCC2)C[C@@H]2CCCCC[C@@H]2C1	2255142662	YYFQKADJGSKKLQ-BJWYYQGGSA-N	247.426	4.565	0	10	BJAE	
CC1(CC(=O)C[C@H]2CCCC23CC3)CCCCC1	2255340433	ZULGENKCSLSTFK-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
C[C@H](C[C@@](C)(N)[C@H]1CC12CCC2)C1CCCCC1	2256489254	NLZQKDMNDSIEER-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@@H]1C)[C@H]1C=CCCC1	2257298732	AAEQNSZLOIKSKY-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H]1CCC2(CCC2)NC1	2257329021	RYIMCCSHUUOEHP-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@]23CCCC[C@H]2CC3)C1	2260577838	IBJUPRWAJTWPKN-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@]23CCC[C@@H]2CC3)CC1	2260581143	CVXQFMUTURONEO-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C(C(=O)C[C@@]23CCCC[C@@H]2CC3)C1(C)C	2260613164	GFJMBPULPFCOJH-PXAZEXFGSA-N	248.410	4.598	0	10	BJAE	
CC1CC(CC[C@H](N)CC2CCC3(CC2)CC3)C1	2261492205	YQZQUQBVGWKANI-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@](CC)(CC[C@@H]1C[C@@H]1C)CNCC	2298126748	DOJVCITXSPVKBF-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC1CC1)C1(N)CCCCCCCCC1	2298922305	CYENPNHHZVZMBH-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@H]1CCC[C@@H](C)C1	2300472130	NTIJCIOFXVRACI-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCCC1([C@@H](CCC(CC)CC)NC)CCC1	2300678569	LMEPDMQTMONXER-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCC(=O)c1cc(C)ccc1C	2300698788	BXTDGJUQBHEAPK-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)NCC1CCCCCCC1	2301685673	OCNOICQRGDMTII-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CN(C)[C@@H](C)[C@H](C)C(C)C)CCC1	2301700387	GSDPLXCRTFTQLF-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)C[C@@H](C)CC(C)(C)C	2301906599	BCCXGIZASMCZQF-HZSPNIEDSA-N	240.431	4.946	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)[C@H]1CCCC(C)(C)C1	2301961784	NPHDMNWTXUZOBM-MJBXVCDLSA-N	238.415	4.700	0	10	BJAE	
CCSc1ccccc1N[C@H]1CC(C)(C)[C@H]1C	2302138834	ILSIARXUVIEUIN-AAEUAGOBSA-N	249.423	4.645	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CCCC1=CCCCC1	2302354792	WBASRDLCRPOPJN-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
CC=C(CC)[C@H](CCC[C@H]1C[C@H]1C)NCCC	2302607841	CRVHJRWQPNDYLQ-KBMXLJTQSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](O)CCC2CCCC2)C1	2302669489	FFSXGHPPURXGRK-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CC[C@H]1C(C)(C)C	2303406253	ZUSSBPFNMSTUGN-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C[C@H]1CC[C@H]1C(C)(C)C)NC	2303476601	SNKYAYNEGFMVHT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)[C@H](N)c1cc(C)ccc1C(C)C	2307506921	YAXVJJVOMMWPDF-CJNGLKHVSA-N	233.399	4.554	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CO)CCCC12CCC2	2307873673	FVULWAMYALATJM-ZBFHGGJFSA-N	238.415	4.536	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCC[C@@H]2CCCC[C@@H]21	2311207395	RCPHQJIKFOXTBH-TWMKSMIVSA-N	249.442	4.610	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@@H]1C[C@H]1C(C)(C)C	2311610464	ROBVXZDDOMJTTL-AYDFFVQHSA-N	248.410	4.620	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1CC2	2313335606	DAZNQFRPKFZSIP-IVSAIRAKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](NC(CC2CC2)CC2CC2)CC1	2313592873	FTKFJOZRRNHQDG-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
CCc1cc([C@H](NC)C(C)(CC)CC)ccc1C	2314702336	LMZMDXBSTWCDPR-INIZCTEOSA-N	247.426	4.644	0	10	BJAE	
CCC(C)=CCC(=O)C1CC2(C1)CC1(CCC1)C2	2316565603	QCTUXQHOAWGWKG-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317144360	XHYYLOVWWNBIMI-JJXSEGSLSA-N	248.410	4.764	0	10	BJAE	
CCCN[C@H](C)CCC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317147601	DUNICDJGVXCSLA-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)C(=O)CC(C)(C)Cc1ccccc1	2317289141	OYPIWEBVUHZVKL-UHFFFAOYSA-N	246.394	4.651	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)CCC2=CCCCC2)CC1	2317906252	GDEYCLXIIOSBFB-YOEHRIQHSA-N	247.426	4.731	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(C2CC2)c(C)n1	2318212724	FNIBFWHRZJEMRZ-CQSZACIVSA-N	246.398	4.648	0	10	BJAE	
C[C@@H]1CC[C@H](CN(C)CCCC2=CCCCC2)C1	2318579478	SQQFZXAKSYZFBM-WBVHZDCISA-N	249.442	4.635	0	10	BJAE	
CN[C@@H]1C[C@H](CCCC2=CCCCC2)CC[C@@H]1C	2318591659	ANWPDFRZTVNGOE-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@@]12CCCC[C@H]1C2	2318875358	WUGCLRBIPVGVRO-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1N(C)C[C@@H]1CC[C@@H]1C(C)(C)C	2320312901	QXBKCLIUHQXSJV-GJZGRUSLSA-N	245.410	4.504	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC(C)=C(C)C2)CCC[C@@H]1C	2320326618	GQOHGBURQGUKDM-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCCC(C)=C2C)CC1	2320328144	OSPCFOBRKKSKNR-SJORKVTESA-N	247.426	4.731	0	10	BJAE	
CN[C@H](CC[C@@H]1C[C@H]1C)C[C@@H]1CCC(C)=C(C)C1	2320395473	FAKRSHVIUSNJAU-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1CC[C@@H](C)C1	2320401793	MBFJVSKLPHFVQX-VDNDLQMASA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2C(=O)C[C@H]3CC[C@H]2C3)C1	2321649046	NFDLMLGDHMOFCJ-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](C)Nc1cccc(Cl)c1F	20472081	DBBNBVJIHIOIBP-JTQLQIEISA-N	243.753	4.860	0	10	BJAE	
CCCC[C@H](C)Nc1cc(Cl)ccc1C	37184705	USWJQOMUFYMQMW-NSHDSACASA-N	225.763	4.639	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)c1cc(C)oc1C	69378631	XACBXNGXBPCNPD-TZMCWYRMSA-N	237.387	4.516	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)CC(C)C	71127952	WIQJRPYJGUMZND-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
Cc1ccc(NC2CCC(C)(C)CC2)c(F)c1	79620998	QAHZSSHAZLMTKG-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
Cc1ccc([C@H](N)CC(C)(C)C)c2ccccc12	79904586	CNFRJGVHGVOTBL-MRXNPFEDSA-N	241.378	4.584	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@H](Nc2ccccc2Cl)C1	82857378	CFDXCNYUQZHVPT-JTNHKYCSSA-N	237.774	4.577	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccccc2C)CC1	86894101	KPPWAYRAOOWTLL-HUUCEWRRSA-N	231.383	4.766	0	10	BJAE	
CCC[C@H]1CCc2[nH]c3c(C)cc(C)cc3c2C1	87818884	QMFSCTDKSWADTR-ZDUSSCGKSA-N	241.378	4.690	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H](C)c1ccccc1	90524519	REZKCEONLRACGM-GFCCVEGCSA-N	245.753	4.822	0	10	BJAE	
Cc1ccc(N[C@H](C)c2ccc(C)c(F)c2)cc1	94836606	RBQUYFIGTRYAQQ-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCOc1cc(C)ccc1N[C@@H](CC)C(C)C	103986980	CYPCWSFPLXMSAS-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
CCCNCC1(CCC(C)(C)C)CCCCC1	110200343	HSTNSAZLIDVJQE-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1CCC[C@H](C)C1	112886388	SXFSOMOWMLSHHM-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](N[C@@H]1CCC(C)(C)C1)C1CCCCC1	129519525	CPPUQKYZSPSCMW-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCCc1cccc([C@H](N)CCC2CCCC2)c1	131643611	ZHTUCRFTHFLGSP-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](CCC)CC[C@@H]1CN	132151115	KCVQCEKNFVZLPG-ZJIFWQFVSA-N	239.447	4.604	0	10	BJAE	
CCN[C@H]1CCCC[C@H](C2CCCCCC2)C1	149438326	JMSFFTXNONVDFT-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CCC(C)(C)C[C@@H]1C	155838424	XVUMHAUOLZCIPQ-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc2ccccc2c1[C@H](N)CCC(C)C	160837284	UYTSUMBAKNURRS-MRXNPFEDSA-N	241.378	4.584	0	10	BJAE	
CCCCCC(C)(C)CNCCCC(C)C	165278382	BPVCDFGAAXKRSZ-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC(C)CCC[C@]1(O)CC[C@@H](C)c2ccccc21	165658083	ZTFZPNBWVASPDD-PBHICJAKSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@H](CC)C/C=C\CCNC(C)(C)C	211788125	PAKGYSABQPWSAM-KVPUOBJLSA-N	239.447	4.927	0	10	BJAE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](CCC(C)C)C1	217720221	ZDDHQJSKOMCKEQ-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](O)CC2CCCCCC2)C1	228763271	VFQPWXPJYAXBGB-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)C1CCCCCC1	229150804	JTTFMOYYDLEHSO-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@@H](NCC1(C)CC1)c1ccccc1	232492388	PTOKJWLRXYSGKE-OAHLLOKOSA-N	245.410	4.554	0	10	BJAE	
CCC1(CN[C@H](c2ccccc2)C(C)C)CCC1	233080957	BRWQBQVADZLPDU-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	252901675	LKBKKQFYHJUQEL-XNISGKROSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@@H](C)CC(C)C	302307889	IALXMNKGGFHZEO-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@](C)(CCC)C[C@H](C)CC(C)C	302314065	ITELNQATHTUGFV-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H](C)CC(C)C)c1	304543729	SWAICBWNQJGKKC-ZDUSSCGKSA-N	215.340	4.557	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](O)CCCC(C)(C)C)C1	305900935	BIZMUJLOFLQHDZ-QEJZJMRPSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H]1CC[C@](C)(CCC2CCCC2)C1	305943399	LWBFKONTLNLCIH-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)CNc1cc(C)c(C)cc1N	306072741	XHJBUKXDKQZSRG-CQSZACIVSA-N	248.414	4.514	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@H](C)CC(C)C	306087596	HKWCBEDQKRIZNI-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
Fc1ccc(Cl)c2scc(C(F)F)c12	307440569	YAAYKXZFNKBXOW-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@H](CC)CC(C)C	308106479	VWTRQHWUCQEHEN-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC(C)(C)C2=CCCC2)C1	308754319	HOLKICDMJGOKNB-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)c1ccc(Cl)s1	309085111	WIJUKMHLBROSJT-SNVBAGLBSA-N	246.803	4.507	0	10	BJAE	
CCN[C@@H](C1CCCCC1)C(C)(C)C(C)(C)C	310566462	MBSDTRZLVUOMKQ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)c1ccccc1)[C@H]1C=CCCCCC1	310609326	AOAFKWQETVVGFC-CABCVRRESA-N	242.362	4.642	0	10	BJAE	
CCc1cc(NCC(C(C)C)C(C)C)ccc1C	310846422	KPMGGVFFKRYTKK-UHFFFAOYSA-N	247.426	4.898	0	10	BJAE	
Cc1cccc(F)c1NC[C@@H](C)C1CCCCC1	311186111	AXNLBPWTKCJZPE-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1	315165087	MERUXCCZTWMRIL-UGUYLWEFSA-N	243.394	4.540	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1(CC)CCC1)NCC	380107470	YUXIPHJWVQDJNK-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1nc2ccccc2n1CCCCCC(C)C	383116533	ITDGFBAJSPYGAG-UHFFFAOYSA-N	244.382	4.561	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)C)c1cccc(C)c1	384546439	CEUQARXVWVXEJY-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CC1(C)CCC(CN)(CCC2=CCCCC2)CC1	384990959	SVOHTALHJVBMQW-UHFFFAOYSA-N	249.442	4.812	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H](C)c1ccccc1)NC	385187694	PQQFMHXDOAZFNM-YQQAZPJKSA-N	247.426	4.595	0	10	BJAE	
CC(C)C1CCC(N[C@H]2CC23CCCCC3)CC1	386975787	COBDLMULISEZGA-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)C1(C)CCCCCC1	394586040	GJKXWBASGMITIM-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CCc1cccc2sc(F)c(C(F)F)c12	396240982	LIGIOGVNNDKENY-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC(C)Cc1ccc([C@@H](N)[C@@H](C)C(C)(C)C)cc1	399213081	VTCJVVPRZJSAFR-CJNGLKHVSA-N	247.426	4.567	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1CC[C@H]2C[C@@H]2C1	403506455	BAJRRSPAJZNYBU-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CCC(C)(C)C1CC1	405723332	OXFFWOYTVFVFNX-HIFRSBDPSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](CCC(C)(C)C1CC1)CC1=CCCCC1	405967783	SNYHVIHRTJWPRN-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
COc1ccc(C)c2c(C3CCCCC3)c[nH]c12	527405618	FJSGYKALMRADCX-UHFFFAOYSA-N	243.350	4.533	0	10	BJAE	
CC(C)(C)CC(C)(C)NC1CCC2(CC1)CC2	695998347	QXMXLWZGQVALFX-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCC[C@H]2C2CC2)CC1	696106290	BGDNUXKUXDTZPW-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccc(C)c(Cl)c1	696657835	HLDUNVKKYMHISR-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CCCN[C@@H]([C@H](C)C(C)(C)C)C(C)(CC)CC	701189957	ATWYWEYDOYALMD-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)C(=O)C12CC3CC(CC(C3)C1)C2	701275584	NRQZGHYAZVZLJJ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@]2(N)CCCC23CCCC3)C[C@H]1C	704446855	JSBKKUSWMLNSNP-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(CCC1CCCC1)C1CCCC1	704958233	RAOABONOLQMMIM-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H](C)CC(C)C	708282479	KJZMWGKXEQOUHK-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CC2	709138516	YYHSCUCVTXYDNI-CBBWQLFWSA-N	248.410	4.620	0	10	BJAE	
CCCCC[C@H](C)NCC1C[C@@H](C)C[C@H](C)C1	710058975	YGBJXHCLRQBXGY-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CC[C@H]2CCCC[C@H]2N1	712300871	ULFWQPGFIXOYBW-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)c1cc2ccccc2o1	713172648	UWUAIHUVSWCKFH-ZDUSSCGKSA-N	246.350	4.539	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H](CC)CC(C)C	713244602	VHLZMZFHGYZKSO-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@@H](CNCC(C)C)C(C)(C)C	713252495	VQQUUVOQCRTUJP-AWEZNQCLSA-N	241.463	4.721	0	10	BJAE	
CCN[C@@H]1c2ccccc2[C@H](CC(C)C)[C@H]1CC	714345597	YDNVBFHCBKOCOH-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1CC(C)(C)C1)NC	723569568	ZJPSLXHBLKBBNN-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(Cl)c1OC(C)(C)C	725423492	XJDYXKQIACDJBJ-UHFFFAOYSA-N	226.747	4.641	0	10	BJAE	
C[C@@H]1CC[C@H](NC[C@H]2CCC=CCCC2)C[C@H]1C	1179764142	NNZUHDRIGSGRJP-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2nc(-c3ccsc3C)ccc2c1	1240499164	ONSQLXAPPKHBFY-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1scc(C)c1C	1900699366	ZGSDGGMGACLHJH-CYBMUJFWSA-N	240.412	4.615	0	10	BJAE	
CCC(C)=CCCC(=O)CC1CCCCC1	1900868741	LUHFRWGYTKDAQN-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCCNC[C@@](C)(CC)C[C@@H](CC)CCC	1905432213	PQQDOXVASONGKD-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CCCC1CCC(N)(CCC[C@@H]2C[C@H]2C)CC1	1908551126	BDWYHBFLQDMRDV-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCCN[C@@H](CC)c1ccc(Cl)cc1	1911886946	HKYVUYUFLBHBCL-HNNXBMFYSA-N	249.785	4.513	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CCC=Cc1ccccc1	1912002889	ZTCRAQOSAJBYQT-NVXWUHKLSA-N	246.394	4.667	0	10	BJAE	
CCCCC[C@H](NC)C1CC2(CCCCC2)C1	1912594419	GCHOCMAZCWLTQV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](CCNC2CC3(CCCC3)C2)C1	1912729222	HRDLOXCPBJXQBS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C1CC(C(C)C)C1	1921288387	WIBMZEGSGUZJCJ-UYSNPLJNSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)C1CC(CCC)C1	1921321509	ZDMHBQINNXAQNT-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCNc1cc(C)ccc1Cl	1926131498	GFFFZVLJJFLIKP-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCC12CCCCC2	1926188870	IFVIMBHEGGYBSG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](NCC)[C@H](CCC)C(C)C	1936207009	NOBHZBZRTVGJKE-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(SCC2(C)CCCCC2)c(N)c1	1940407723	IJIXVXAPZAEATD-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCC[C@@](N)(CC1(C)CCCCC1)C1CCC1	1940410731	SRLZYMWJXBEOMS-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC[C@@](O)(CCC[C@@H]2CC2(C)C)C1	1940872488	MTBUBWVZKZEPHH-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccccc1NCCCC1(C)CC1	1940881579	GHBMTOIBIOGLIA-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CC(C)(C)CCC[C@](C)(F)c1ccc(N)cc1	1940965787	KEFCRIHLFHEBFA-HNNXBMFYSA-N	237.362	4.670	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC1CCC=CCC1	1941824723	BTCUJDJNVRMXQO-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](C)(O)CC1CCCCC1	1942653019	MXFXVHNPJCTGLM-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](NC(C(C)C)C(C)C)C1CCCC1	1942786367	XAECFXMOACMSKU-OAHLLOKOSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCCCC[C@H]1CC	1942802806	GRSHQJLJEPOSDT-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCCCCC(=O)CC1C[C@@H](C)C[C@H](C)C1	1944198940	JHVMEPQWPOMHDP-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)C1CCC(CC)CC1	1947517166	YTADUAMHIDOYMT-KNIAUWFNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CCC1CCCCC1	1947517169	YTLRBBSMSKKILU-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)CCC1CCCCC1	1948325561	HNFXRSKYFNBVOM-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)NCC(C(C)C)C(C)C	1948332656	NFPQDWCNASMYAE-LSDHHAIUSA-N	241.463	4.575	0	10	BJAE	
CCCC(CCC)NC1CCC(C(C)C)CC1	1948423690	TYIYPGCOARCASA-UHFFFAOYSA-N	239.447	4.760	0	10	BJAE	
CC=CC[C@H](C)c1ccc(OCC)c(OCC)c1	1951305814	ZRDRIBNZVYELOF-ZDUSSCGKSA-N	248.366	4.554	0	10	BJAE	
CCc1ccc(NC2CCC3(CCC3)CC2)cc1	1968313934	MQNILRRDBMVEPG-UHFFFAOYSA-N	243.394	4.774	0	10	BJAE	
CCCCC1CC(Nc2cccc(F)c2C)C1	1968649231	UNXYSEBFNFZKQJ-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC2(C3CCCC3)CC2)C1	1970500270	OJVNIYFAZYRXTQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@H](C)N[C@@H]1CCCC2(CCCCC2)C1	1973864351	VFWKUZYUGCNDEP-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C(=O)c1cc(C(F)F)cs1)C(C)(C)C	1977101213	LAFOZFNPEKTHCI-ZETCQYMHSA-N	246.322	4.551	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1csc(C(F)F)c1	1978582729	NWVKOWNDQDMXRJ-SECBINFHSA-N	248.338	4.545	0	10	BJAE	
CCCCN(C[C@@H](C)CC(C)C)[C@H](C)CC	1978895607	CCGOQBYIEGFFFK-LSDHHAIUSA-N	227.436	4.569	0	10	BJAE	
CC(C)=CCCC1(N)CCCCCCCC1	1980334866	SZLHBAZUOMWHDO-UHFFFAOYSA-N	223.404	4.565	0	10	BJAE	
CCC[C@H](C)CC[C@@H](N)c1ccccc1Cl	1980684038	BDEPBZISOCEZHJ-SMDDNHRTSA-N	239.790	4.556	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC1(C)CCCC1	1986937495	JNNHRHJRKZSLAF-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1C[C@@H]1CC	1995213959	IDBMEDGFCHJUQG-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC(C)Cc1csc([C@@H]2CCC[C@@H](C)C2)n1	1995444118	HMNDFQKQVSSINO-VXGBXAGGSA-N	237.412	4.635	0	10	BJAE	
C[C@@H]1CC[C@@H](Cn2ccc3cccc(Cl)c32)C1	1996232296	ODWCHQIVFCQLLL-VXGBXAGGSA-N	247.769	4.731	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@]2(O)CCCCCC2(C)C)C1	1996260135	MNSNLAUGNVITDH-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](O)[C@H]1CCC[C@@H](CC)CC1	1997118359	XDDLQWNSPDGQGG-OWCLPIDISA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC(=O)C1(C)CCCCCC1)CC(F)F	2000213601	LSIXHXWHMNKLQO-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCC[C@](C)(CNC)C[C@@H]1C=CCCCC1	2000519684	YLVWFQKVVTWMCQ-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CCC[C@H](N2CCCCCCCC2)C1	2000894609	JUAFKYKTARSAEZ-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCCCC[C@@H]1CCCCCC[C@H]1NCCC	2003115847	DWXHGAFPCKBZBT-HZPDHXFCSA-N	239.447	4.905	0	10	BJAE	
C[C@@H](N[C@H](C)C1(C)CCC1)C1(C)CCCCC1	2004839669	JUIIBUOUTCNQSF-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1CC(=O)C1(C)CCCCCCC1	2004941973	NLAXXZQGTQMTHY-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H]([C@@H]2CCCC(C)(C)C2)C1	2006663346	INZDMQWNHFLWHO-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](C=C1CCCCC1)NC	2007942313	IVPYKEUPVBCXMZ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)CC[C@H]1CCC(C)(C)C	2009408585	VEHAIQRAZTWWDH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H](CCC2(C)CC2)c2ccccc2N1	2009549240	SPYKPXKBXXPHJD-CHWSQXEVSA-N	229.367	4.555	0	10	BJAE	
CCCCCC[C@@](C)(O)C1=CC[C@@H](CC)CC1	2010713037	LDCKYCZDCWMWBV-GDBMZVCRSA-N	238.415	4.844	0	10	BJAE	
CCC[C@](N)(CC)C1=CC[C@@H](C(C)(C)C)CC1	2010728742	IHXHPMYXGKGODV-CZUORRHYSA-N	237.431	4.667	0	10	BJAE	
C=C=CCC[C@@](C)(CCCC)CNCC(C)C	2010984194	BHYWKZHAZACTEF-MRXNPFEDSA-N	237.431	4.550	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)c1cccc2ccsc12	2015277503	HMMAAZFAKXTEHO-BXUZGUMPSA-N	248.391	4.617	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(C[C@@H](C)C(C)C)CC1	2015394274	MLSNEMCZTGBHHY-OWCLPIDISA-N	239.447	4.602	0	10	BJAE	
CC(C)C(CC[C@@H](N)CC1CCCC1)C(C)C	2015402567	VIMDWSDKJZCPLN-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@H]2CCCCCC[C@@H]2O)CCC1	2015635004	UXUCOPYPQMEGIJ-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@@]1(C)C[C@H]1C	2016467746	MDUBJUIAFXPKMQ-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C(=O)CC1(C(C)(C)C)CCC1)C(C)C	2017123461	AXOCESIKKLKNDL-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)C1(C[C@@](C)(N)C2(C)CCC2)CCC1	2017138321	ITAKREDBDRETJA-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)C[C@H]1CC[C@H](C)CC1	2017713734	BTHRRMYJKRFKOJ-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C)[C@@H](CC)NC)CC1	2017720883	ISXCLUZDCLCPND-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CC(C)(C)C[C@H](C)NC)CC1	2017730112	DBVSHSQMZKEFDN-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCC(C)(C)C2)CC1	2017731400	RASQMMWNYRGTCF-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCCC[C@@H]2C)CC1	2017731616	UCWNVFRLDQYPMC-LBDPXKHJSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@]2(C)CCC(=O)C2)CC1	2017775499	COKFCQYSFUEHJJ-XUJLQICISA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)C(C)(C)C(F)F	2017797040	QDCQUWZPOIBBHC-RYUDHWBXSA-N	249.389	4.615	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](CC)[C@@H]1CC1(C)C	2018075706	WJNLCQXIXULYIB-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCC1(C[C@@]2(N)CCCCC[C@@H]2C(C)C)CC1	2018987640	MHJVNSHQROQRIS-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](CC)C1CCC1	2019188549	FGBKLMHHEGTZLS-GOEBONIOSA-N	239.447	4.713	0	10	BJAE	
CC(C)C[C@@H](C)N(C)C1CC(CC(C)(C)C)C1	2019298488	XCOPJVFMUMCHCP-WLYUNCDWSA-N	239.447	4.568	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1C[C@@H]1C1CCCC1	2022558597	XVNUQEFYHYHUNS-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)c1nc2c(s1)CC[C@H]1CCCC[C@@H]21	2022993774	RNQAMVCSKVJOTO-GHMZBOCLSA-N	249.423	4.661	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)CCC2CCC2)C1	2024100757	FRXIQVQJFAAQPS-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCc1ccccc1C(=O)C1(C)C(C)(C)C1(C)C	2027149735	BRCDHSGSDCACTE-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC1(C)C[C@@H]1CCCNc1ccc(C2CC2)cc1	2027831067	FXVTZBQGHLMZQB-HNNXBMFYSA-N	243.394	4.802	0	10	BJAE	
Cc1cccc([C@H](N)CCC[C@H]2CC2(C)C)c1C	2027840056	NLOOXWYFRDEYEQ-GOEBONIOSA-N	245.410	4.520	0	10	BJAE	
Cc1cc(C)c2c(c1)N[C@@](C)(CCC(C)(C)C)O2	2027858832	ADLBMPWEDQFLIR-MRXNPFEDSA-N	247.382	4.650	0	10	BJAE	
N[C@@]1(CCCC2CCC2)CCCC12CCCCC2	2028486265	STJFZBGHRHWEFA-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)c1ccc(C)o1	2028634732	UJVMKSLSVCOWSU-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1ccc(C2CC2)cc1	2029076636	AXVLMBLBVAXZEZ-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1ccccc1C1CC1	2029839541	ZWKJLTAEUBXAMG-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@H]2CC[C@@H](C)C2)cc1	2033404320	SNVMGBWSGRBSTJ-CJNGLKHVSA-N	244.378	4.504	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2CCC[C@H](F)C2)cc1	2034890841	IOZBRKMUWXYAPU-CABCVRRESA-N	248.341	4.521	0	10	BJAE	
Cc1cccc(NC2CCCCCCCCC2)n1	2035879859	WFSHHPUZBKRYAN-UHFFFAOYSA-N	246.398	4.695	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@H]1CCCCC12CCC2	2035886818	NFEGFNSGZVIKNS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(NC[C@@H]2CC[C@H]3C[C@H]32)CCCC1	2035888268	SATMCOXGPSNDPF-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@]2(N)C=CCCC2(C)C)C1	2037858677	AVLYIYORWJHRNP-HWMZRRJGSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CC1CC2(CCC2)C1	2037968984	CTGXMHREKWEJHS-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](CC1CC1)NCC1(C2CCCCC2)CC1	2038361552	YLOMOEBYQAAZRN-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@H]1C=CCCCC1)c1ccc(C)cc1	2039032667	OXXXMHUCFGMWQZ-IRXDYDNUSA-N	243.394	4.535	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CC2CCC=CCC2)CC1	2039368700	DNHQMEFFDCRXCX-PVAVHDDUSA-N	249.442	4.667	0	10	BJAE	
CCC1([C@H](NC)c2ccc(C(C)C)cc2)CCC1	2039720875	XVNUCDQULYMYRS-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@@H]2CC[C@@H](C)C2)cc1	2040138540	PFGQYIWBQSAMIM-CKEIUWERSA-N	245.410	4.636	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1[C@H]2CCCCC[C@H]21	2048381477	FPVLSHSTIXEBHD-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1(C(=O)CC2[C@@H]3CCCCC[C@@H]23)CCC1	2048470770	WFFVGNKPKPQCEU-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1CC([C@](C)(F)c2cccc(N)c2)C1	2048631226	QNIULLCANISUTC-SEEARECTSA-N	249.373	4.526	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)C[C@H]2C=CCCC2)C1	2049541870	ZJIBWLNRTORUAE-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@H]1CCC2(CC2)C1	2049856434	LILHPFBMBNSGSI-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)CC2=CCCCCCC2)c1	2050458265	LJBUFDIOQTXFSG-UHFFFAOYSA-N	242.362	4.848	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1CC2(CCCC2)C1	2051398643	FHAGNQLRSIVCDY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCCCC12CC2	2053309069	TUWPOIUIMKYBEL-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@H]1CCCCC12CCC2	2056776851	OBHYRBWONBXQIU-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@]1(C)CC1(C)C	2056873754	QJVDNHOOYUTNMT-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC(C)C)C[C@H]2CC[C@H]1C2	2059259963	UMFREWRWXBVVGR-PLFMJXSHSA-N	249.442	4.537	0	10	BJAE	
CSc1ccc(Cl)c(C(F)F)c1Cl	2060061261	IKCSJAUQWWKYDQ-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)C2CCCCCCC2)CC1	2061099325	OHNFWPQWDQXCKU-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CC[C@]12CCC[C@H]1C2)C1CCCCCCC1	2061601992	KZZIFGYPOQIBNJ-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@](O)(CC2CC(=C3CCC3)C2)CC1	2061681974	GGUHGEMHGXHDQR-GUYCJALGSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(O)(CC2CC(=C3CC3)C2)CC1	2061689825	BWMWEJAHWFGWPI-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC(CN[C@@H]2CCCCCC23CC3)C1	2062016463	HCUNTRYFVLJAOL-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063516647	POACAMHCLQSTLU-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068776033	ZWTGNZALOOSCON-DYPNFWBISA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN2CC[C@]23CC[C@H](C)CC3)CCC1	2069278261	HHLDKDJRSFVGTB-WOVMCDHWSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC2(CC3CC3)CCC2)C1	2069504401	AJVNTQSWVPAEML-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC1(CC2CCC2)CC1	2069561697	LQCJAAWOMGHSOS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)c1cccc(C)c1	2070396753	CSOYVDBMOPMMLE-HOTGVXAUSA-N	245.410	4.781	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2	2070407227	DWUAYFVLGXTCGE-QUSNUVHPSA-N	249.442	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CC[C@@H]2C2CCC2)CC1	2071800288	SUHXDOHUPQLZIY-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC2(C(C)C)CCC2)C1	2071916138	WBCDKTJURINPNW-ZFWWWQNUSA-N	248.410	4.764	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)c2cccc(C)c2)CC1	2072800734	HLWHERZXMIOTEG-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
CCC1CCC(CC2(N)C[C@H]3CC[C@@H](C3)C2)CC1	2072803296	GTRALPPBPRELQD-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)[C@H]1CCCC2(CC2)C1	2073777090	SPVGMUIJUGSUPG-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](O)c2ccc(C3CC3)cc2)CC1	2074618878	KHUJBMGGEDUCJT-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCCC1(CC2(N)C[C@@H]3CCCCC[C@H]3C2)CC1	2074628317	DHJYBZITULXMRP-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@@]12CCCC[C@@H]1C2	2074641203	IGFBRFDKENLSDF-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(N(C)C2CCC(CC)CC2)cc1	2074865510	YXGJMDYGOFXFAW-UHFFFAOYSA-N	245.410	4.654	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2C[C@@H]2C2CCCC2)CCCC1	2079830858	HERKPCGUODLFFJ-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)ccc1NC1CCC(C)(C)CC1	2081946086	DEHKRASKOOOTDA-UHFFFAOYSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@@]2(C)C=CCCC2)C1	2082986712	NLFFUXKBSWNWEJ-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@H](N)CCCCCCCC1CC1	2210527907	XWHKIPMOVIJXPQ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC/C=C/CNc1ccc(Cl)cc1CC	2212642961	GCOJYIOOVLUVQE-VOTSOKGWSA-N	237.774	4.671	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@H](C)C(C)(C)C	2214574120	RXFWUOSGXIQKQN-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(CCC[C@@H](N)C1CCCCC1)C1CC1	2214777062	QFYWYMDTAVEXOZ-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC2(C)CC(C)(C)C2)C1	2215386875	QRGMXVBBHFMUGV-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CC2(C)CC(C)(C)C2)C1	2215434354	QTLHHUULBVVTOU-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CN[C@H](C)CC)CC1CCCCC1	2217149244	HPNQYIYDQDFZMJ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
O=C(C1CCCCCC1)C1C[C@H]2CCC[C@H](C1)C2	2218341344	WKNPTVKGXKLFSK-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC1(C[C@@H](N)[C@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218350413	LIJLTHQABAQUEO-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCC[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218375065	SHBAPPCXHGIGJS-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CCC[C@H]2CC[C@@H]21	2218720471	JEQBTXXYTSOFME-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@H](CCC2CC(F)C2)Nc2ccccc21	2220655167	YSLCEJUSHJBGMC-ABXWRUBCSA-N	247.357	4.503	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C[C@H](C)c1ccccc1	2220965514	ZWBZEQTXGLRSRQ-SQWLQELKSA-N	244.378	4.576	0	10	BJAE	
Cc1cc(CNC(C)C)cc(C2CCCCC2)c1	2221800505	UCAJCBTVEWFIFS-UHFFFAOYSA-N	245.410	4.541	0	10	BJAE	
O=C(c1cc2sccc2s1)[C@H]1CC=CCC1	2246050251	XJBKJCGAJGCYHM-VIFPVBQESA-N	248.372	4.502	0	10	BJAE	
CC[C@H](C)[C@H](N)CCC[C@@H]1CCCCC12CC2	2246628486	YKIJJPWLIPRIAN-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]1C[C@H](O)C1CCCCCCC1	2247309932	XRLYMUTYDXBCEJ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCCCC[C@H]1C[C@@H]1C)C(C)C	2248807182	IYCLDNKKCXYJQJ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@@](C)(N)C1CCCC1	2248856074	VANARBMVLMOMMK-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@]1(C)CCCN1	2250469614	QLCMITKUIAELOB-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C[C@@H](CN)C(C)C	2250477718	AOQYZFJGJGUZIT-HOTGVXAUSA-N	239.447	4.626	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1C[C@@H](C)C[C@H]1N	2250482446	UBKVRINLKHYKHH-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(O)C[C@H](C)[C@@H]1C	2250494460	AYZSRBRKSVFWRR-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@@]12CCCC[C@H]1CC2	2251225127	VUJCZYHEBJCSJU-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251702873	UCEFTVIPVDBRAY-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
CC1=CC[C@](CN)(CC[C@@H]2CCC[C@@H](C)C2)CC1	2253911091	ORXZOJSLUJWCLW-IXDOHACOSA-N	249.442	4.668	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2(N)CCC3(CC2)CC3)C1	2254000821	GNLVKKICKJSSRT-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@H]1CCC1(C)C)[C@@]1(C)CC=CCC1	2254849619	UUVCLJNLDBSTQH-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CC2=CCCCC2)CC1	2255090613	BMZOEUQRHSAEQI-RDJZCZTQSA-N	249.442	4.955	0	10	BJAE	
CCNC[C@]1(CC2=CCCCC2)CCCC[C@H]1C	2255102496	RZHKGWJHZUWKGT-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CCc1cccc(F)c1NC[C@@H]1CCC[C@@H](C)C1	2256114166	GULVJTFNGGKZDA-CHWSQXEVSA-N	249.373	4.626	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1CC12CCCC2	2257311025	KLLJHXOLFQAJSQ-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
Cc1cc(N[C@H]2CC3CCC2CC3)cc(C)c1C	2258237039	KSGCUKYLICPYHS-DQPZFDDXSA-N	243.394	4.602	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC(C)(C)c1ccccc1	2259446527	ZQXSQRFUKCBGPL-GOEBONIOSA-N	247.426	4.508	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](C)c1ccc(C)cc1C	2259462532	IMVQIJYZCYPNTE-HOTGVXAUSA-N	247.426	4.780	0	10	BJAE	
NCC1(C[C@]23CCC[C@H]2CC3)CCCCCCC1	2260675617	YSQXPKOKBDYVMT-DOTOQJQBSA-N	249.442	4.646	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CC[C@@]2(C)C[C@@H]12	2298226344	ZZKPQFCSWDSOIR-QEJZJMRPSA-N	249.785	4.503	0	10	BJAE	
C[C@@H](CC1CCC1)[C@]1(N)CCCCCC1(C)C	2298926896	PXHXHOPQYXPPLM-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC1CC(C(C)C)C1	2300499552	ALFORNHIXYHIHU-UYSNPLJNSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CCC(CC)CC	2300678946	OPLHCBZWLWEQSN-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1(CC)CCCC1	2300873312	YOHZXGQSEWTXBH-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(=CCC[C@](C)(O)C(C)C)CCCC(C)C	2300893379	QPKJRMIRAPIOOL-INIZCTEOSA-N	240.431	4.946	0	10	BJAE	
CC(=CC[C@@H](O)CCC(F)F)CCCC(C)C	2300893934	YXUIUEOHKQFCAR-CYBMUJFWSA-N	248.357	4.555	0	10	BJAE	
CCC(C)=CC[C@](O)(CC)CC1CCCCC1	2300896186	GGCQSDSYPOWTDI-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC1CCCCCC1	2301142970	OSIIREQUYZMXJK-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)CCC1=CCCCC1	2301920627	FJKVIJPDNKXPEI-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
Cc1cnc2ccccc2c1CCCC(C)C	2302224785	LHABJOPHQUTLNR-UHFFFAOYSA-N	227.351	4.522	0	10	BJAE	
CC[C@@H]1CC[C@](O)(CCCC2=CCCCC2)C1	2302325582	IRENKGSWAUCCJY-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC(C)=C(C)C1)C(C)C	2303585319	VLDMVHOFGPWAMW-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)N(CC)CC[C@@H]1CCC(C)(C)C1	2304437885	SMMGEGXJQNONDJ-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](CC)CC1(N)C2CCCC1CCC2	2307817671	RHNWDUALYJSJCY-JYLOXXHMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)C(C)(C)C(C)(C)C	2307904581	UAHBYCCXQQHQBY-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1C[C@H]1C)[C@@]1(C)C=CCCC1	2310431210	MKXRPBUNNYOHFY-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C[C@@]23CCCC[C@@H]2C3)CC1	2311147670	KFHNJGWSXJCNRP-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)CC1	2313346836	SFFRPYCIJQKKDJ-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCCN1C(CC1CC1)CC1CC1	2313598065	SCXNFKIBYWTRMV-MRXNPFEDSA-N	249.442	4.610	0	10	BJAE	
CCC(C)=CC[C@H](NC)C(C1CCC1)C1CCC1	2316534536	HEFGJRVUHYLXOF-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@@H]1C1CC1)CCCC(C)C	2316562696	CSBYKKIKYLKBKU-SJORKVTESA-N	249.442	4.667	0	10	BJAE	
O=C(C[C@H]1C=CCCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316744474	OLUZWBAUKBKCDB-VGWMRTNUSA-N	246.394	4.518	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@H]1C[C@H]1C1CCCC1	2316876512	WDKMRTXIOQLXHR-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1C[C@H]2C[C@H]1CC21CC1	2317037036	MGJWRBWVWBGRIX-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@@H](C)[C@@H](C)C(C)C)c1	2317628655	BTCPNWFGCRREHU-JYJNAYRXSA-N	247.426	4.635	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@H]1CC12CCCC2	2318567013	CHTLERGIQODXOS-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)CC2CCC1CC2	2318577529	XLWGMERALNBYCR-JCYILVPMSA-N	248.410	4.598	0	10	BJAE	
N[C@@H]1CCCC[C@H]1CC[C@@H]1C[C@H]1C1CCCCC1	2319001500	UJEUKAVBMSTZSM-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCCC[C@H]3C[C@H]32)cc1	2319252127	KAFBDSUUQKZPSP-USXIJHARSA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@H]2CC[C@H]2C2CC2)C1	2319503010	UODYRSSZAHJQBT-CXUGXGMPSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](C[C@H]1CC[C@@H]1C1CC1)NCC	2319541177	GAOREYRZKOPUAU-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(CC(=O)C[C@@H]2CC[C@@H]2C2CC2)CCC1	2319582149	DEMXKIRNCKLJOH-GOEBONIOSA-N	248.410	4.598	0	10	BJAE	
C(CCC[C@@H]1CN[C@@H]2CCC[C@H]2C1)CCC1CC1	2319909237	SJTQNGUBPZBWCM-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)C1(CC2CC2)CC1	2320247517	BTJRCKPSTJLFKG-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)C2CCCCC2)c1	2327678597	XLCRSWAXEYTGIF-QGZVFWFLSA-N	245.410	4.699	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)CC(C)C	19230684	HBAGWALGZGZHFV-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCCc1ccc(N[C@H]2CCC[C@@H](C)C2)cc1	20554250	WJEXXVHRTHUJCM-CJNGLKHVSA-N	231.383	4.630	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1F	21507742	USSGVAHMMFDHNN-RISCZKNCSA-N	249.373	4.761	0	10	BJAE	
CCCCCCNc1ccccc1CCC	36974200	ACFGOVIXZJBORY-UHFFFAOYSA-N	219.372	4.631	0	10	BJAE	
CCC[C@H](C)N[C@H](C)CC(C)(C)c1ccccc1	37189472	KGTSXAHOZPDFFW-LSDHHAIUSA-N	247.426	4.521	0	10	BJAE	
CCC(C)(C)C1CCC(N)(C2CCCC2)CC1	37376612	RAIKZRUMFUAXGM-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(C(=O)C1CCCC1)c1ccccc1	62783389	PHHAJWOQEUAGTI-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@H](CC)CCC[C@@H](CCC)NC	70745498	BOVBMNUDYWMOBG-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCCCCOc1ccccc1C(C)(C)C	85151718	KTWQGMMCPPYQSA-UHFFFAOYSA-N	234.383	4.943	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C2CCCC2)CC1	86955881	VZTDDURRRWFWKK-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C(=O)CCC2CCCC2)cc(C)c1F	87715643	YYMZYHKECUSVOQ-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CC[C@H](C)[C@@H](N)c1ccc(Cl)c2ccccc12	93656278	LULDXTDTKDKSNI-ZUZCIYMTSA-N	247.769	4.539	0	10	BJAE	
CCC(CC)C(=O)C1CCC(C(C)(C)C)CC1	94676247	NUCYXKYAAMMDIK-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1)C1CCCCCC1	110206725	CDUZEAZIIZMNCH-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
C[C@@H]1CC[C@@H](N)c2cc(C3CCCCC3)ccc21	136910626	ULCYGFNEFSYDCU-SJKOYZFVSA-N	243.394	4.631	0	10	BJAE	
CCCCC1CCC(C(=O)C(C)(C)C)CC1	149041873	MSIINZGTYHMFSL-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C[C@H](C[C@H](O)C1CCCCCC1)CC(C)(C)C	157263229	LOXQJXCGVUFELY-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](NC)c1c(C)ccc2ccccc12	160896300	GKDUUASRNZEFCR-INIZCTEOSA-N	241.378	4.599	0	10	BJAE	
CCC[C@H](C)C[C@@H](CC1CCCCC1)NCC	162109589	ZWEGPQAKSQRCPD-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccc(C(C)C)cc1	163749968	BCVUOAUSCMNIBT-CZUORRHYSA-N	231.383	4.801	0	10	BJAE	
CC[C@@H](C)C[C@H](O)c1ccc(C(C)(C)CC)cc1	167652411	RGELGCHIJKQMPK-CJNGLKHVSA-N	248.410	4.844	0	10	BJAE	
c1cc2c3c(ccc2c2c1CCCC2)CCCC3	169488734	SLJZHCSEMJACNP-UHFFFAOYSA-N	236.358	4.597	0	10	BJAE	
CCCCCCc1ccc(N(CC)CC)cc1	200133062	VZDWKTDKCDOKSD-UHFFFAOYSA-N	233.399	4.656	0	10	BJAE	
CCCC(CCC)c1nc2c(C)cccc2[nH]1	212065417	SGRPOMBPJQIYIG-UHFFFAOYSA-N	230.355	4.555	0	10	BJAE	
CCC[C@@H](N[C@@H]1CC[C@@H](C)[C@@H]1C)c1ccccc1	225067712	UIKQWHSGHVLMLP-YALNPMBYSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C)[C@H]2C)cc1C	227002511	DQGDYMJXPJHRRV-XPKDYRNWSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)c1c(C)cccc1C	228050432	RDQYYUFDOHDUKZ-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)c1cccc(CC)c1	228856178	QFZSODGOCPBHTL-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@H](C)c1ccccc1	232981444	FWKNOJNOWZKDPJ-NVXWUHKLSA-N	247.426	4.739	0	10	BJAE	
CCC1(CN[C@H](C)c2ccc(C)cc2)CCCC1	233093496	PFMFNVXBQPZACD-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H](N)c1ccc(SC2CCCCC2)cc1	233889413	YCBAGGMOQPSZOB-OAHLLOKOSA-N	249.423	4.521	0	10	BJAE	
C[C@@H]1CC[C@H]2[C@@H](CCCC2(C)C)C1(C)C	238411204	JTHQJIOXHUASBW-FRRDWIJNSA-N	208.389	4.885	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@H]1CCCC[C@@H]1CC	252895279	AEXRZTADBLGNCW-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CC1(C)O[C@@H]1c1ccc(C2CCCCC2)cc1	259461286	WTESMRFOMHOFSP-OAHLLOKOSA-N	230.351	4.584	0	10	BJAE	
CCc1ccc(N[C@H](C)C2CCCCC2)cc1C	302274543	HVPLTNIIUYGLDF-CQSZACIVSA-N	245.410	4.938	0	10	BJAE	
CCC1CCC(n2ccc3ccc(F)cc32)CC1	305670000	CSCCTDIFMVMNFS-UHFFFAOYSA-N	245.341	4.922	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)CCC[C@H](C(C)C)C1	305910853	FMMHBVWMCSNKQI-JYJNAYRXSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H](C)CC(C)C)CC1	305911463	FSYGKGDUKLRYOX-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccc(C2CCC2)cc1	305939241	AXLZFPZTINWOTC-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H](CC)CC(C)C	308093195	JINVQSFWSQPEST-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
C=COCC[C@H](C)C[C@H](C)C[C@H](C)CC	308705108	YQTARMKFXPVMHM-HZSPNIEDSA-N	212.377	4.635	0	10	BJAE	
CCCCCC[C@H](C)NCc1csc(C)c1	309227632	SDMFDVMDAGPOFW-LBPRGKRZSA-N	239.428	4.505	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CCCC(C)(C)C)C(C)C	309994637	PSODJJUYVFHEJR-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC(C)C)C1(CCC)CC1	310153696	GLTBVBRECZGELO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C[C@@](C)(O)c2ccccc2)CC1	310821045	BREXCSHQKAGZQN-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
C[C@H]1CC[C@H](N[C@@H]2CCCCC23CCCC3)CC1	311156354	XGLFRKUOWUHKDQ-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
C[C@H](C[C@@H](N)CC1=CCCCC1)C1CCCCC1	311209037	KMBZSJCFWVYHEV-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cc(C)ccc1Cl	313398611	QVFBWMJIIDCBNV-LLVKDONJSA-N	238.758	4.657	0	10	BJAE	
C/C=C/CC1(CNCCC)CCCCCCC1	317901213	XOERUGLHLMSQNS-HWKANZROSA-N	237.431	4.683	0	10	BJAE	
CC(C)NC[C@@](C)(CC1(C)CCCC1)C(C)C	380059579	XTURSUHUHDQJQA-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCCCC[C@@H]2N)CC1	380105689	YKAUPBOTBBXLNF-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H](C)C1CCCCC1	380923964	DUZGCYWLEBYLRI-OAHLLOKOSA-N	245.410	4.932	0	10	BJAE	
CCc1ccccc1[C@@H](O)C[C@H](C)CC(C)(C)C	381276426	SZSSMYXEDUTTCH-BBRMVZONSA-N	248.410	4.745	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)c1csc(C)c1	381360082	HAPDQKAIJOTRKN-FZMZJTMJSA-N	239.428	4.533	0	10	BJAE	
CCCC(=O)CCCCCCCC(C)C	383113627	IGYSNHMMNAVVLI-UHFFFAOYSA-N	212.377	4.742	0	10	BJAE	
C[C@@H](C[C@](C)(O)CCC(C)(C)C)c1ccccc1	384302764	JLFVMRUCCGHVEW-WMLDXEAASA-N	248.410	4.758	0	10	BJAE	
CCC[C@@H](Nc1ccc(F)c(C)c1)[C@@H]1CC1(C)C	397772078	NBDRKVMHPLFHNZ-DZGCQCFKSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)c1ccc(C)cc1C	401506265	DFAVDJIJVCSVHK-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)(CCC1(CNC2CC2)CCCC1)C1CC1	405985769	GLXIXRYMNUSXSZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC1(/C=C(\CC)CNC(C)(C)C)CCC1	686130920	MCSIPGFRBXGWEP-WYMLVPIESA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](NCCCC1CCC1)C1CCCCC1	688392450	FKQPDRYEYZTMKR-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(CC)c(NC[C@@H]2CC=CCC2)c1	689614655	QNYFNLRJZIRNEV-OAHLLOKOSA-N	243.394	4.580	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)CC2CCCCC2)o1	689716122	IVTRMNGMCPZUFQ-GXTWGEPZSA-N	249.398	4.598	0	10	BJAE	
CCC(CC)CC1(CNC(C)(C)C)CC(C)C1	691411950	AJRIZKNYDVVRDN-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1CC2CCC1CC2	691675889	PHTKLWFYQRYNMW-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@]12CCCC[C@H]1C2	693186704	VNQAKUOENKQKRZ-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@]12CCCC[C@@H]1C2	693564503	GRVIVJYLVKPWJV-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CCC3(CC2)CC3)C1	695667609	RZRAGYYSDFDTFJ-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](CC(C)(C)CC)NC)C1	696251623	ZAYJHOAJYAOVCI-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)C2(C(C)C)CC2)cc1	697598319	XKYDBSILFYOAQR-XJKSGUPXSA-N	245.410	4.636	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@H](C)CC(C)(C)C)c(C)c1	704687562	WYSWCOYXAWVFDB-GDBMZVCRSA-N	248.410	4.718	0	10	BJAE	
CC(C)C1CCC(NCC[C@@H]2CC=CCC2)CC1	706871213	XNTUMKLDNKDWJL-KLAILNCOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CCC[C@@H](O)C(C)(C)C)CC(C)(C)C	709097416	NKOMORHRFDDKBO-QWHCGFSZSA-N	228.420	4.636	0	10	BJAE	
Cc1ccccc1[C@@](C)(N)C[C@H](C)CC(C)(C)C	709138649	BQOZBWNXIQZQIT-DYVFJYSZSA-N	247.426	4.631	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC/C=C\c1ccccc1	709257298	GRHWWRQLKNYBIH-OCOPJHETSA-N	244.378	4.731	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@H](C)C(C)(C)C	710734103	AJFUGODRGRAPIW-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)(C)C)C1(CC)CC1	711148403	GQVLPVXKGNMFOX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@@H]3CCCC[C@@H]32)cc1C	712399821	BLKUAGQBBDDYGP-BHYGNILZSA-N	243.394	4.548	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cc(C)cc(Cl)c1	713180463	AURYJIRNZLVMKK-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CC[C@H](C)CC1(CNC(C)C)CCC=CCC1	718081861	FWTZOGMXQSOSOY-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)CC(C)(C)C	718495215	OIGCXOPDFXKIDR-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CCCC(CCC)[C@H](N)CCC(C)=C(C)C	718572361	LEOWEHGEIMMQNA-OAHLLOKOSA-N	225.420	4.667	0	10	BJAE	
CCC[C@H](N[C@H]1CCCCCC1(C)C)C1CC1	719189570	NFBVQJCSGNLHGZ-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCCCC[C@H]1NCC1CC2(CCC2)C1	719297387	KUXUKCRNMKCEQK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC[C@@]12CCC[C@H]1C2	720991135	GLMXWIVGIDERQF-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@@H]2CCC[C@H]21	722060130	CYNDYCMLZCUYKW-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)CC[C@H]2CCCC[C@H]2C1	723633278	FFAKWTRBHIQVDB-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccc(C3CC3)cc2)[C@H](C)C1	821906626	VGUKGGNJNHTWHS-XNJGSVPQSA-N	243.394	4.801	0	10	BJAE	
C/C(=C\Cl)CS[C@@H](C)c1ccccc1	1473021294	AGJKXQMZSHDWRA-UQSGXBNBSA-N	226.772	4.623	0	10	BJAE	
CCCC1(CNC[C@H]2C(C)=CCC[C@H]2C)CCC1	1474068981	FXXOKOWATGXBQF-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CCCCCCN(Cc1ccccc1)C(C)(C)C	1653731089	DHQGWIFDYZZDLI-UHFFFAOYSA-N	247.426	4.867	0	10	BJAE	
C[C@@H](CC1CC1)n1ccc2cc(Cl)ccc21	1899375139	JEWOQZUOHZCYNF-JTQLQIEISA-N	233.742	4.656	0	10	BJAE	
CCCCCNCC=C(C)CCCC(C)C	1900825178	CXMRXHMKKYBGBK-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@@H](C)[C@@H](C)C1	1902381733	QQPPOXQQZSPWDD-NTZNESFSSA-N	237.412	4.547	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)CCC(C)(C)C	1910148034	SOEFHHUCSKORJW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC=C[C@H](C)Cc1cc(CC)ccc1CC	1911813253	RZXRMFXFHYEWGD-ZDUSSCGKSA-N	216.368	4.566	0	10	BJAE	
CC[C@@H](NC1CC2(CCCC2)C1)C1CCCCC1	1912728257	BTKSNTUXNXFRGE-MRXNPFEDSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)CC[C@]1(CN)CCCC12CCC2	1921606673	SNOHPEPEWCNGTL-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(CN)C1CCCC1	1924073723	XKAMFXXFKFRCHD-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2C=CCCCC2)cc1	1925807764	RFTVVWOGWURJQQ-HNNXBMFYSA-N	244.378	4.935	0	10	BJAE	
Cc1cc(C)cc(C[C@@H]2C=CCCCC2)c1	1925813459	ABYOZQLLOYCZKT-OAHLLOKOSA-N	214.352	4.592	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)C1CCC(C)CC1	1925945212	KAHHAKRRQTVKEB-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cc(Cl)sc1C	1933603453	VWKYTWUFXICQKK-QPUJVOFHSA-N	245.819	4.536	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CC2CC(C)C2)CC1	1940687589	GYQDHWCPHCYEHV-KNIAUWFNSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC[C@H]1CC1(C)C)CCC(C)C	1940871407	CKBMVHQFCRKSES-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(NCCC[C@H]2CC2(C)C)c1	1940872404	MBBUWADSBIJACS-AWEZNQCLSA-N	231.383	4.542	0	10	BJAE	
CCC[C@@H](C(=O)CC(C)(C)C(C)(F)F)C(C)C	1941269068	MGFOZDTTYVQKNX-LLVKDONJSA-N	248.357	4.699	0	10	BJAE	
C[C@](N)(CCCCCC1CC1)C1CCCCC1	1941581165	HYCVAYRQGLMTJV-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCCCCC1CC1)NC	1941588066	YJUWCABQPVASAH-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](O)(CC1CCC=CCC1)C(C)(C)C	1941794662	XVDNZDJDLCFCKM-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)[C@@H]1CCCCC1(C)C	1942653631	SJDJRQQTJNKMJM-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@@H](C)CCC(C)C	1942658030	OQDDETAMBUUECO-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@]12CCCC[C@@H]1CCC2	1944223962	VLXZZVCTHKQUGH-LZWOXQAQSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CC[C@]1(CNC(C)C)CCCC1(C)C	1944475476	MAYVUXZAVMFREE-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC1CCC(NCCC2(C)CCCCC2)CC1	1945431714	FUXYXNBAVNLNRP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
N[C@H](CC1=CCCCC1)c1sccc1C1CC1	1945799431	IOATVORQWNVMLY-CQSZACIVSA-N	247.407	4.516	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1C=CCCC1)NC	1947584950	BVMLAMWSTPBHIQ-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1C[C@H]1CC1(O)CCCCCCCCC1	1947877779	ATSGBJRASQDMDJ-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
Cc1cccc(F)c1N[C@@H](C)[C@H](C)CC(C)C	1948325309	GDFUQVSUCQKZFL-OLZOCXBDSA-N	237.362	4.617	0	10	BJAE	
CC1(C)CCC[C@@](N)(C2=CCCCCC2)CC1	1948977358	BHIZIERDAPEGPQ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(CCCC2(C)CC2)C1	1949052511	BLFVMLFHZKMQBN-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCC3(CCCC3)C2)s1	1949494866	BFEAOYRFXMGZBU-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
C[C@H]1C[C@@H](CC(=O)CC2CCCC2)CC[C@H]1C	1949861351	FBMYBTANFFWGCH-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1CCC2(CC2)C1	1950267389	LWNVXYLCQSIHEP-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)NC[C@@H]1CCCC(C)(C)CC1	1950921736	IQFUMPQMNNOMCC-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(CNC[C@@]2(C)C=CCCC2)CC1	1966037220	FYKZYDNVQQTFTE-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCc1cccc(O[C@H]2CCC3(CCCC3)C2)c1	1968357484	FHHSCAOTJJMGEE-INIZCTEOSA-N	244.378	4.741	0	10	BJAE	
CC1(C)CCCN([C@H]2CCC3(CCCC3)C2)CC1	1970616623	CVWRBUFUJRCMSH-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)C1	1970678453	GPUWPTMTHABWNI-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCCNc1cccc2ccsc12	1984606881	LEXKXERXBXJOEV-NSCUHMNNSA-N	231.364	4.670	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@@H](CC)CCCC	1984619864	YFHMVSCBCOGDLI-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CC(C)(C)CCC[C@](C)(O)C1(C)CCCC1	1987589526	CLCWKGSMDXORDB-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](CC)NCC(C)(C)C(C)C	1990093798	ORDMPKBEEDELEY-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC1(N[C@@H]2CC[C@@H](C)[C@H](C)C2)CCCCC1	1995691911	UZPNRHDVBJVBEB-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@]1(C)CC=CCC1	1997582917	HDNLOFDRLUOAEK-HRCADAONSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)C1CC(C)(C)C1	1998658417	RFYRPFPPAJKDHC-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCC=CCCC1)C1CCC1	1999988889	UXAJLZPDYQTRNR-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@H](C)CCC(C)C	2000317325	WBYZFSSLSKAYIH-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(O)CC1(C)CCC1	2001144963	SKGCLKAEMSXVMJ-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)CC1(C)CCC1	2001151741	QAIUVONLIQNQQI-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1CC12CCCCC2	2001249682	GDHWYJUERTXWRM-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C[C@H]1CCC12CCC2	2001844211	LOEBIORKSRLIOB-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(O)CC2(C)CCCC2)C1	2002998322	KHUYYPWZCNWNJP-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@H]2CCCCCCC[C@H]2O)CCCC1	2003120530	ZVVXCFCVTPXUMI-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC1CCC2(CC1)CC2	2003273483	SLWCQOANFOLNGA-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@]1(C)C=CCC1	2003326320	YHYRANLSXCVGJS-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCCC2(CC2)C1	2004707585	YVCVULWEBYGPCH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1=C(C)[C@H](N)[C@@H](C[C@@H](C)CC(C)(C)C)CC1	2006907355	KOBHBQJXHASWTB-DFBGVHRSSA-N	237.431	4.523	0	10	BJAE	
CCC1CC(CC[C@H](O)CC2CCCCC2)C1	2007808440	RLUUMDQYNRXQFG-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H]1CCCC[C@@H]1CC	2007852649	GCWJECXBIDRYKL-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
O=C(CC=C1CCCCC1)c1ccc(Cl)cc1	2007991535	XRSYZDULOGMAHZ-UHFFFAOYSA-N	248.753	4.803	0	10	BJAE	
CC=CCCCN[C@@H](C)[C@H]1CCCC(C)(C)C1	2009596466	QZPWPVOUKHWART-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](CC(CC)CC)NCCC	2009617406	SBGYFBYQGAUWQI-DXWDOBMASA-N	239.447	4.927	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H]2CCCCC2=O)CC1	2010784839	QZIYXLYZSXMDTN-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
Clc1ccccc1OCC1CC(=C2CCC2)C1	2011068076	YSSUUQYIOQBOGL-UHFFFAOYSA-N	248.753	4.609	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCCCCC12CC2	2011286161	RFOFELBJAQHWIN-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@H](C[C@H](O)CCC[C@H]1C[C@H]1C)CC(C)(C)C	2011560218	WKTXBOWUYVVDEW-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
CCCCCC1CC(O)(CCC[C@H]2C[C@H]2C)C1	2011564130	ODGFUXVWVDGGAH-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]1C[C@@H](CCC(C)C)CC(C)(C)C1	2012042390	UFQNMGKIWCWRHC-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CC[C@@H]1CC1(C)C	2013312189	PYMSYLBRWQSECY-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCCC[C@](CC)(CO)CC(C(C)C)C(C)C	2015285144	UCLKNOIWOUTKSK-INIZCTEOSA-N	242.447	4.884	0	10	BJAE	
CCCN[C@H](CC(C(C)C)C(C)C)[C@H](C)CC	2015290696	MJZXCTFHSQJCQM-GDBMZVCRSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC[C@H]1CCCC(=O)[C@@H]1C)C(C)C	2015391433	ZYZTXXQPJRCNHU-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@@]2(O)CCC[C@@H](CC)C2)CCC1	2015640310	QSHFPOYDMMRHLS-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC1(C(=O)CCCCCC2CC2)CC1	2015740173	IIPSMWFINVDFTP-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CCNCC1(C(C)(C)C)CCC1	2017132530	GAIVADZCKVUKPU-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@]1(CC(C)=C(C)C)CCCC[C@H]1C	2017467478	WZMMDYMMIXLBHW-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)COc1ccccc1C(C)(C)C	2017468319	GSJNNNXLXBKJGR-UHFFFAOYSA-N	232.367	4.719	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)C[C@H]1CC[C@H](C)CC1	2017720303	GCKSDDAOFVDRIA-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CC[C@H](O)C(C)(C)C)CC1	2017720750	UOACNRHLXBWMAK-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCCC[C@@H]2C)CC1	2017731620	UCWNVFRLDQYPMC-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@H](C(C)(C)CC)C1(CC)CC	2017797505	KBNNXFUJYNGTPT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)[C@H]1CCC2(CCCC2)C1	2017805336	CUPVDKLRATWXGD-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@H]1C=CCCCCC1	2019126251	JNFNCLYJWZPPOC-CVEARBPZSA-N	237.431	4.632	0	10	BJAE	
CCC[C@@H](C)N(C)Cc1ccc2sccc2c1	2019306085	RKAUCWFCCHVESB-GFCCVEGCSA-N	247.407	4.522	0	10	BJAE	
CC1CCC(N(C)C2CCCCCCC2)CC1	2019311693	MWLUHLMFMRZRNE-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CC(C)CCCCCN(C)C[C@H]1CC[C@H](C)C1	2019343118	WBBRRESBNRJANK-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
CC(C)CC[C@H](C)N1CCC12CCCCCC2	2019415974	SPNLFPPDZXOQEY-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CCC1)C1(C)CC1	2021026969	LLLAAZLGJNIONB-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCC[C@@H](CC)C1	2022560454	OPYPPSMFUGFLJZ-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCCC(C)(F)F	2023335008	CXSFWAXRQBOTQB-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CCCN[C@H]1[C@H](C[C@H](C)CCC)CCC[C@H]1C	2024001970	WEGDOGJWKMOIHG-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1[C@H]2CCC[C@H]21	2026058711	FLMAMZODZBQEFR-ARLBYUKCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C=C1CCCCC1	2026168488	AHIBAGGTJAREJN-HOCLYGCPSA-N	237.431	4.811	0	10	BJAE	
C[C@H](C(=O)CC1(C)CCCCC1)c1ccccc1	2027291058	DWKBUQWUGVUQEY-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)c1cccc(C)c1	2027313764	IYJVBOMWBGWSFS-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)c1cccc(C2CC2)c1	2028551784	JNZCKWQNKRWFQJ-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC1(c2cccc(C(=O)CC3CCCC3)c2)CC1	2028561220	YJADVTJATGIPPI-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CCCN[C@H](CCC)c1ccccc1C1(C)CC1	2028561447	AJGYMMORGXWQKN-MRXNPFEDSA-N	245.410	4.579	0	10	BJAE	
CN[C@@H](c1cc(C)ccc1C)[C@H](C)CCC(C)C	2029822862	FNHLQLAAPHHWPD-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1NC[C@@]1(C)C=CCCC1	2030351600	LQUIEYZGDDDWSG-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC(C)NCC(=C[C@@H](C)C1CC1)C1CCCCC1	2032149662	MOQKAWJCBPAMQT-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)CC[C@@H]1C[C@@H]1C=CCC1	2035601629	POZNIPKIRUNYKL-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H]1C=CCC1)C(C)(C)C1CCCCC1	2035602219	RGWXEDYBIXQRJT-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1CCC(N)(C2=CCCCCCC2)CC1	2037074798	YYKGORYSAAFVRY-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C[C@@H]2C=CCC2)CCC1(C)C	2037867282	VRYDFNCYKDLTSQ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CCC2(CC2)C1	2038572446	QBTAZRSNMBBBJK-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(CCNC2C[C@H]3CCC[C@@H]3C2)CCCCC1	2038621320	FZLVKJALHIVYRH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCCC1)[C@H]1CC12CCCCC2	2039012991	UHHAAILQRVOPTR-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CCCC(C)(C)CC2)oc1C	2039357660	VAJOSDXWIGTYQF-CYBMUJFWSA-N	248.366	4.686	0	10	BJAE	
C[C@@H](N[C@@H]1CCC2(CC2)C1)C1CCC(C)(C)CC1	2040642146	SSFFXJCGKBKRFE-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)C(=O)c1cccc(C2(C)CC2)c1	2040716365	ITRDHOQJWUEGLM-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
O[C@]1(C[C@@H]2C=CCC2)CCCC2(CCCCC2)C1	2040763038	LELOSTZQIKKDMT-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@@]1(CC2(CC)CCC2)CC=CCC1	2042093638	JFUSFKODVABNLW-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCNCC1(CCC2=CCCCC2)CC=CC1	2042096932	QNESQCOXHRFUAH-UHFFFAOYSA-N	247.426	4.603	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H]1CCC[C@@H](C)CC1	2043192254	UFVXEUCYKOEPHJ-VYDXJSESSA-N	249.442	4.824	0	10	BJAE	
CC1CC([C@@H](C)NC2CCC3(CCCC3)CC2)C1	2043530559	JPTBXDHINAPHJM-SHARSMKWSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)C[C@@H]1CCC=CCCC1	2045315758	XHZKEGQVIWATQU-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)C[C@@H](C)c2ccccc2)C1	2045559791	DSBZBRIIKJKRIZ-RBSFLKMASA-N	244.378	4.576	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CC[C@@H](C)C2)cc1C	2045562306	RJHWRCGBKNPBBT-ABAIWWIYSA-N	244.378	4.621	0	10	BJAE	
CCC[C@H]1C[C@H]1NC1CCC2(CCCCC2)CC1	2045666389	QOOAZQPNCPCGTH-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCN(CC1CCC=CCC1)c1ccc(C)cc1	2046571244	QXLIOODPDIEKIL-UHFFFAOYSA-N	243.394	4.568	0	10	BJAE	
CC(C)C(C)(C)CN1CCCCc2ccccc21	2046579697	TXPWUZRFDOCBGT-UHFFFAOYSA-N	245.410	4.512	0	10	BJAE	
CC1(C[C@@H]2CC[C@H]3CCCN[C@H]3C2)CCCCC1	2048088610	NMAPQHGMZWUCTN-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NC2[C@@H]3CCCCC[C@@H]23)CC1	2048389385	HVPATJRLVGSGQF-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
O=C(C1CCCCCCC1)C1[C@H]2CCCCC[C@H]12	2049195711	SJVIEJMTIKJNNP-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
C1CCCCC(N[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	2049677749	GNEMYPQGWDSHSZ-FVQHAEBGSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC2(CC2)C1)C1(CC)CCC1	2049858789	PPWGHLFQFKTLBC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@]1(CN)CCCCC12CCC2	2053420663	LVHZSDWBMHSTEO-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CC(C3CCC3)C2)C1	2056676553	AWTICZLREPDFFJ-YUCHNRCRSA-N	248.410	4.598	0	10	BJAE	
CC1CCC2(CC1)CC(O)(C=C1CCCCC1)C2	2056861573	ACSOEDUNVQTOAQ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC(N[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1	2058831273	JFRDXEYGOAPEAA-TXOGFHGLSA-N	249.442	4.514	0	10	BJAE	
CC=CCCC[C@H](NCCC)c1ccccc1C	2059226381	YUSMEMIJGAGLKJ-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H]1CCC2(CC2)C1	2059251940	CXMMUIMIFCNOSJ-KADIJHKTSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@H](N)C[C@]12CCC[C@@H]1C2)C1CCCCC1	2061624099	WPIXQJXOANNARN-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CC(=C2CCC2)C1)C1CCCCC1	2061700688	CQRVUNVPCKSCKE-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C1CC(=C2CCC2)C1	2061735100	VEDXFVVIHOJZBK-OAHLLOKOSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063514702	CLTKWRKQLCUABB-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](NCCC1=CCCCC1)c1occc1C	2063678418	QOGAPPXZFWYGAD-OAHLLOKOSA-N	247.382	4.519	0	10	BJAE	
CCCC[C@@H](CC)CC1(CN)CC2(C1)CC21CC1	2064010718	RFIXULAOMJPMRM-HPUBIQBYSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)CC23CCC(CC2)C3)C1	2065274910	NPNHFMQHXFBEAR-TXOGFHGLSA-N	249.442	4.501	0	10	BJAE	
C1=C[C@H](CN2CCCCCCCCC2)CCCC1	2065848111	FNKJHOAOAUABHB-KRWDZBQOSA-N	249.442	4.779	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1C[C@@H]2CC[C@@H]2C1	2068758008	MLOKOJFUSFPBOA-QKDCVEJESA-N	243.394	4.658	0	10	BJAE	
CCC1(CN(C)[C@@H]2CCCC3(CCC3)C2)CCC1	2069321481	NDAIONNEWLCNTO-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@@](N)(CC)c2ccccc2)CCC1	2069343006	VJCXKDXHPPVOIG-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)c1cccc(C)c1	2070396752	CSOYVDBMOPMMLE-CVEARBPZSA-N	245.410	4.781	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CC[C@@H]2C2CC2)cc1	2071798651	NSVQXNQBWFHUSD-CVEARBPZSA-N	243.394	4.585	0	10	BJAE	
CC(=CC1(C(C)(C)C)CCC1)C[C@@H]1CCCCN1	2071949460	JOUPTPVTKHEKGD-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)[C@@H]2C=CCCC2)CC1	2072802847	BQBDTMBILOPFSF-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCC(C)=C(C)[C@H]2N)CC1	2072807401	VVGLECYPUBCWKI-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(N2CC=CC23CCCCC3)CC1	2074861617	FKJSGJJLIKSIIZ-UHFFFAOYSA-N	247.426	4.530	0	10	BJAE	
CCN[C@H](C[C@H]1CCC=CCCC1)[C@@H]1C[C@H]1CC	2079221214	AOBYTGUUDPAYAY-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1C[C@@H]1C1CCC1	2079326473	AEXCYUFWFVQTOP-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CC1CCC(C(=O)C[C@H]2C[C@H]2C2CCCC2)CC1	2079865617	PCLSZTUSCHVHAB-GDVJOBBMSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(C[C@@H]1C[C@@H]1C1CCCC1)C1CCCCC1	2079868987	AXRZYRJSJUAKPP-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
Fc1ccccc1N[C@@H]1CCC[C@H]2CCCC[C@H]21	2081139420	CILGMIFZFGCNLK-UMVBOHGHSA-N	247.357	4.597	0	10	BJAE	
CN[C@H](C[C@@H]1CCCC(C)(C)C1)[C@@H]1C=CCCC1	2082983487	SOOGZQJEVHSZHG-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)[C@@H]2CCCC23CC3)C1	2082986314	LXRNAQDMYLTLAR-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@@H]1CC(C)(C)C1(C)C	2084359174	SCIDBSQLJRZFBN-UKRRQHHQSA-N	249.442	4.680	0	10	BJAE	
C[C@]1(C(F)(F)F)C[C@H]1CC=Cc1ccccc1	2213823772	XMYLMFKDGQEEJV-OLZOCXBDSA-N	240.268	4.678	0	10	BJAE	
CCN[C@@H](CC1(C)CC(C)(C)C1)C(C)(C)CC	2215400514	GZFUCZBKHKKPRZ-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](O)(CCCC2CC2)C1	2216258901	RNVWKGLKJZZACF-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CCCCC(F)F	2216517822	ZMXYLBXYONXZIY-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCN[C@@H](C)[C@@H](C)CCCCCCCC1CC1	2216878463	CQVACUMOUYYODA-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](C)(CNC1CCC1)C[C@H](C)C(C)(C)C	2217123746	AXVAWRYQZVRWCY-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC(C)C)CCCC1(C)C	2217131164	RGQKUHFUEAYACF-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218331150	JXTREHRHUZZQEB-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CCC[C@H]2CC[C@H]21	2218718979	UAXKNRHCOADKAO-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)CC1=CCCCC1	2218719356	XXKRQMRGEHVDCB-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CN[C@@H](CCCCC1CC1)c1cccc(C)c1C	2220041647	QONMXJWZKIBWIU-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)[C@]1(C)CC=CCC1	2220931790	GEURCFSHANWVOW-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H](CC)CCC	2244775070	KDUGRYZKDSAPKV-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](CC)CN[C@H](CC)CCC(C)C	2244804767	FNXWADQNORAVLJ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CCCCC[C@H]1C	2247162337	BFQNASWOWCZSOF-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C[C@H]1CCC1(C)C	2247310597	MRTCDMXWJUXBIR-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@@H]1CCC12CCC2	2247407000	KQUWEQINFFZDAJ-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H]1COc1cccc2sccc12	2247448708	VYNQPAWMGCYSHQ-NSHDSACASA-N	246.375	4.716	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2CCC2(C)C)CC1	2247448820	WTPLGYDLJDJKFC-UYJPIKCFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CN[C@@H]1CCCCCC1(C)C	2250381399	NVXNXNVLJWGJFE-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@@]1(C)CCNC1	2250475547	QVPQJRFUSVLKTM-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)[C@H](C)C(C)C	2250518416	SEAGVWXZYHYGNB-BZUAXINKSA-N	241.463	4.848	0	10	BJAE	
CC[C@H](C)C[C@H](N)CC[C@@H](C)CCCC(C)C	2250525832	XOBJMIOXOARXMD-HRCADAONSA-N	241.463	4.993	0	10	BJAE	
CCCCCC[C@H](N)C[C@]12CCCC[C@H]1CC2	2251217207	FXUSJPLFRYCBCW-HRCADAONSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNC1CCC2(CCC2)CC1	2254504581	JJCINOKYMFKIQK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](O)CCCC[C@@H]2C[C@@H]2C)cc1C	2254583995	KZHRYANENFMSBN-ZMSDIMECSA-N	246.394	4.553	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)C1(CC2CCC2)CC1	2254603635	CPKPYQFWZZZIGT-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CN(CC1=CCCCC1)[C@@H]1CCC12CCCCC2	2255056831	OLAPPJOFOQJAOA-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC[C@]1(CC[C@H]2CCCC23CC3)CCCCCN1	2255224613	FTLWXWCIVUHRML-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CCC1([C@H](CC[C@@H]2CCCC23CC3)NC)CCC1	2255279665	BEHAIFWCDVUTLL-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1C[C@H]2CCC[C@@H]21	2257245003	GTOZHQKEBZZXFH-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1CCC[C@H]2C[C@@H]21	2257248338	SHEDVLRLOIGFDA-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1CCC2(CC1)C[C@H]2N	2257339874	LUQDLRFDLRUURJ-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@H](C)C2(C)CCCC2)cc(C)c1C	2258249611	WTFZIUOHUXKWTK-OAHLLOKOSA-N	245.410	4.993	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1cc(C2CC2)ccc1F	2259106689	BHSVLSLEZBCFOW-OCCSQVGLSA-N	247.357	4.551	0	10	BJAE	
C[C@H]1C[C@H]1CCCNc1cc(C2CC2)ccc1F	2259110381	UEFWKNKIMVGWBO-WCQYABFASA-N	247.357	4.551	0	10	BJAE	
CC1(CCCNc2cc(C3CC3)ccc2F)CC1	2259114014	XEFHUGKWHZWZJS-UHFFFAOYSA-N	247.357	4.695	0	10	BJAE	
C[C@@H]1CC[C@@H](CNc2cc(C3CC3)ccc2F)C1	2259116312	PCFCDIJZHDIBCC-VXGBXAGGSA-N	247.357	4.551	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2CC3(CC(C)C3)C2)C1	2259570452	UAGQUDZDZQGRPT-NNSQQDGLSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)[C@]23CCCC[C@H]2CC3)CCCCC1	2260547746	QWCRSSGPIMJIHQ-YOEHRIQHSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@]12CCCC[C@H]1CC2	2260615507	ZETJXTPESPYAEP-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@@]12CCC[C@H]1CC2	2260652140	PSKSIPWVTHZZCB-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1=CCCCC1)C[C@]12CCCC[C@H]1CC2	2260679451	REQBAPSFNHMFNV-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(C[C@@]23CCCC[C@@H]2CC3)C1	2260680353	XKEHANNVBVQZLG-VQHPVUNQSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cccc(CC2CC2)c1	2261044500	SPRSWMRTBXAEPY-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@H](C)CC1CCC1	2298871423	SGIVBQSJDINVEY-ZBFHGGJFSA-N	239.447	4.856	0	10	BJAE	
CCc1cc(C[C@@H]2C=CCCCC2)ccc1C	2299630295	RJHUHVRNIAXIAI-OAHLLOKOSA-N	228.379	4.846	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1CCCCC[C@@H]1C	2300688569	OLSGADFCSFCHJE-HOCLYGCPSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCC[C@H](CC)CC1	2300689920	CRJFOVZRWPWAEN-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CC[C@H]1NCC=C(C)CCCC(C)C	2300864525	BNBJXXYLIUSYNZ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H](CC)CCC	2300873190	XFTDGLNXXRMPCX-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](O)CC[C@H]1C[C@H]2CCC[C@H]1CC2	2301133652	OEHDGGHQZWBZMZ-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC1([C@@H](N)CC2CCCCCC2)CC1	2301138717	ZFSPDSQZPGIOGM-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@@H](c2nc(CC3CCC3)cs2)C1	2302254697	PHLGJSXHPXSZHQ-WCQYABFASA-N	249.423	4.779	0	10	BJAE	
CC(C)CC[C@](C)(O)CCCC1=CCCCC1	2302325439	HPJQNYSGRIJWMN-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
Cc1c(F)cccc1CCCC1=CCCCC1	2302342056	CQXZNGQMVSNLOW-UHFFFAOYSA-N	232.342	4.957	0	10	BJAE	
CC(C)[C@@H](C)[C@](C)(O)CCCC1=CCCCC1	2302362306	XSARTRPOXDJVHH-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H]1CCC(C)=C(C)C1	2303516490	OTQQJJTYBRHAJX-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)C[C@H](N)CC[C@H]1CCC(C)(C)C1	2304413465	VXSGQTGSVASKEZ-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H]1CCC[C@@H](C)CC1	2307891111	ABKKVWWBWITPOF-OWCLPIDISA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](C[C@H]1C=CCCCC1)NCC	2311511644	DSNZPUBRKUVEQV-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2311718036	RBOJWXAPLNBMIH-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@]12CCCC[C@@H]1CC2	2313290937	MUJNLXAVKJDROZ-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCC1CC(C[C@@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313333781	PODFRBVAUNYERE-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NC(CC1CC1)CC1CC1	2313594045	OIGJETHFPXYKRV-SUMWQHHRSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC[C@H](O)c1cc2ccccc2o1	2316236129	RJGZTINSFNKSJC-AWEZNQCLSA-N	246.350	4.683	0	10	BJAE	
CC(C)[C@@]12CC[C@@](N)(CC3CCCCCC3)[C@@H]1C2	2316874163	KATOENQRXJMYMO-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2317008510	SPPKWPGCQARKCM-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc([C@H](N)[C@@H](C)[C@@H](C)C(C)C)cc1	2317821572	WIVYEPPORIQOQB-GRDNDAEWSA-N	247.426	4.567	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N)[C@H]1CCCC1=CCCCC1	2318537656	FXNMAIDHVHJRAX-OHFALNGGSA-N	249.442	4.667	0	10	BJAE	
CCCn1ccnc1CCCCC1=CCCCC1	2318573000	MNLJMPVMDQFCPS-UHFFFAOYSA-N	246.398	4.506	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CCC12CCCC2	2318584251	YGJLGGUXJWEQBE-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCN(CCCC2=CCCCC2)CC1(C)C	2318594764	JGGOZTQFYIZXOS-HNNXBMFYSA-N	249.442	4.635	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1[C@H](N)CCCC1=CCCCC1	2318596517	AHSAWTUGAGSMOA-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
CCCNC[C@@]1(C2CCCC2)CCC(C)=C(C)C1	2320269598	CIBONOTWUGMZGY-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCNC[C@]1([C@H]2CCC[C@@H]2C)CCC(C)=C(C)C1	2320394443	POCPDQJCTWTBDW-XIRDDKMYSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@H]3CCC[C@@H]32)CC1	2320398411	RAPJIPOCZPJZNZ-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CCCc1ccccc1N[C@H](CC1CC1)C1CC1	2320695371	HNNYSYNDEZZQNC-QGZVFWFLSA-N	243.394	4.630	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCCC23CCC3)C1	2321603479	SFOXOKDPISOTGZ-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2CCC[C@@H](C)C2)C=CCCC1	2326698760	HNCMCXXDIKERQF-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C=C1CCC([C@H]2CCNC2)CC1)CC	2328097738	NZYZPFXUKRLZOI-NZEUDUFCSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CN)C[C@H]2C=C[C@H]1CCC2	2328214388	WPCZYGOSIBNBNB-VQHPVUNQSA-N	249.442	4.524	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)CCc1ccccc1	21031203	IMVWBBMFHDECAZ-HZPDHXFCSA-N	247.426	4.566	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccccc1N(C)C	57716570	CUOYKZORPGCRSK-AWEZNQCLSA-N	248.414	4.523	0	10	BJAE	
CCCC[C@H](CC)CCC[C@H](CCC)NC	70745502	BOVBMNUDYWMOBG-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1CCCCC1	71085163	NTFZROKEVJBKKG-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)c1ccc(C)c2ccccc12	79905842	OMBBBIIMOWHDNP-CXAGYDPISA-N	242.362	4.618	0	10	BJAE	
CSc1ccc(NC2C[C@@H](C)C[C@@H](C)C2)cc1	84461946	RBNUQUWBUXXAGP-ONXXMXGDSA-N	249.423	4.645	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C)c(C)c1	85083212	NVIIGYOXJGOGOE-HEHGZKQESA-N	231.383	4.540	0	10	BJAE	
C[C@H]1CCC[C@@H](NC(C)(C)CC(C)(C)C)[C@@H]1C	85098031	LMMHGIKBXYEGLW-BFHYXJOUSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)(C)C)C(C)C	87155413	ZOLFHGIETRJBOG-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)C1CCC(C(C)C)CC1	87965135	MYTDVXVNHMGVDA-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C1CCC(C(C)C)CC1	87965138	MYTDVXVNHMGVDA-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@H]1CCCCC1(C)C	94274636	XMUOTXYMJALGAO-ZBFHGGJFSA-N	245.410	4.614	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(OCCC)cc1	109949365	FDUBPJDFIFRSQK-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CC[C@H](Nc1ccccc1F)c1ccccc1F	122461046	VXAUFGFQFSFVLT-AWEZNQCLSA-N	247.288	4.528	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cc2cc(C)ccc2o1	135551730	PTNDWWPQZIDMKN-SMDDNHRTSA-N	246.350	4.601	0	10	BJAE	
CC(C)CC[C@@H]1CCCCC[C@H]1CNC(C)C	155818140	RHLJPZSIIFKFGN-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)C1=CCCC1	161961161	ZDBUVGLKUUCDQN-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
O=C(c1cc2ccccc2s1)C1CCCCC1	164032893	RWDFYWPLXVCTJL-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(O)C1CCCCCC1	167658744	JTFSKRULPDRXAW-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCSC(=CC1CCCCC1)SCC	205325462	URXJLGNZBUQEEX-UHFFFAOYSA-N	230.442	4.914	0	10	BJAE	
CC(C)=CCC[C@@H](C)CCNc1ccccc1	223425131	BUGFTQUKLUBENO-OAHLLOKOSA-N	231.383	4.871	0	10	BJAE	
Cc1ccc([C@H](N)[C@@H]2CCCCC2(C)C)cc1C	226544740	JHZHGKKKBNJZGI-HOTGVXAUSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@H](CC)C(=O)Cc1c(C)cccc1C	229367636	VIZYSIGBSXQHHF-HNNXBMFYSA-N	246.394	4.631	0	10	BJAE	
C[C@H](N[C@H]1CCC12CCCCC2)C1CCCCC1	230169521	BBUWMAYBEHPHSG-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@@H](C(C)C)C2)ccc1F	230994111	UWHDFUABKWWGGF-KGLIPLIRSA-N	249.373	4.761	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)[C@@H](CC1CCC1)CN2	232512021	LMRJNZORMORMLD-ZDUSSCGKSA-N	243.394	4.683	0	10	BJAE	
C1=C[C@@H](Nc2ccccc2-c2ccccc2)CCC1	232576901	UQDJRXUZAQLEJS-MRXNPFEDSA-N	249.357	4.874	0	10	BJAE	
CCC(CC)n1ccc2cccc(Cl)c21	232893923	QDEKUQDVMCKPDF-UHFFFAOYSA-N	221.731	4.656	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC2(C)CCC2)CC1	233307258	UJAWZQAOIUBQKI-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)c1c[nH]c2c(C)cccc12	238255152	BISLUTRZSLHAPV-LLVKDONJSA-N	215.340	4.770	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCCC[C@H]1CNCC	251366953	TWZLWIYAKBEARF-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CC(C)(C)C[C@H]1C	300141240	RIHPUPXFKCOPCO-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
N[C@H](C1CCCCCC1)C(C1CCC1)C1CCC1	302663237	YOJSOBFGDPZLDK-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](n2ccc3ccc(F)cc32)C1	305669980	AVRUJQQMWVEIKU-JYAVWHMHSA-N	245.341	4.778	0	10	BJAE	
C[C@@H](C[C@H](O)CCCC(C)(C)C)c1ccccc1	305918869	LINAJEXDUHCIGH-GOEBONIOSA-N	248.410	4.758	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1C[C@@H]1c1ccccc1	305946066	SPULXSZPLJQUDS-HUUCEWRRSA-N	244.378	4.576	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)C[C@@H](C)C(C)(C)C	305997731	UOUCRHFGNGAHIG-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CSc1cccc2sc(Cl)c(Cl)c12	307488156	CXONTLDVKVLGDB-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCCC(CCC)[C@H](O)c1ccsc1Cl	308354464	KPBVQOFCJZVEME-NSHDSACASA-N	246.803	4.651	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)CCC1CCCCC1	309990238	KXTNWEWEZYYEHP-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2CCC[C@@H](C)C2)C1	310308342	DEKYDMNQPLXQLC-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC1CCC(C)CC1	310419574	NTLCDHPRWVWBHE-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CCCC(O)(CCC)C[C@H](C)C1CCCCC1	310498451	QGXLKELDABDICG-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](O)C1CCCCCC1	310504218	RZPLLZJJLPYVHH-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C(C)(C)C(C)(C)C	310591217	ZKRRLEIVHXVEKA-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2ccccc2C(C)C)C1	311049955	HYTJXLPCAAYODC-KBPBESRZSA-N	244.378	4.819	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@@H](C)[C@@H](C)CC	319281750	GJOZMVQTJQNVEZ-HRCADAONSA-N	241.463	4.865	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@@H](C)[C@H](C)CC	319612914	MKCQYBLETRFFER-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C(C)(C)C(C)(C)C	383405934	VCWJDSNJNRKFFG-CQSZACIVSA-N	241.463	4.993	0	10	BJAE	
CC1(c2cccc(C(F)(F)F)c2)CCCC1	383463748	HXUXBBHEJVYZGL-UHFFFAOYSA-N	228.257	4.537	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H]1CCCC[C@@H]1C	384499923	CAUOGBCORQGORI-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1[C@H](C[C@H](C)CC)NCC	384624922	JDIUHJDRUJEIBD-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)CC(C)(C)C)c(C)c1	384860759	HCZSSBZIZGOUNJ-HUUCEWRRSA-N	247.426	4.779	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@H]2C=CCCCCC2)C1	385053837	DHBRVBUNEDENRY-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C[C@H](N)C(C)(C)C(C)(C)C)c1ccccc1	385129658	KYLBLSSDTGNXTH-ZFWWWQNUSA-N	247.426	4.580	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC2(C3CC3)CCC2)CC1	391425912	IQVLDVYMKBVVPJ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(Nc2cccc3ccsc23)C1	395197110	DBWKFRDKUQBNFT-UHFFFAOYSA-N	231.364	4.502	0	10	BJAE	
CCc1c(C(F)F)cc2sccc2c1S	396242399	MLMGBNYQXPSQCL-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CC[C@@H](C)c1csc(C[C@H]2C[C@H]3CC[C@H]2C3)n1	397423711	BKAWETPKKFFBLC-MROQNXINSA-N	249.423	4.635	0	10	BJAE	
C[C@@H](Nc1ccc(C(C)(C)C)cc1)[C@@H]1CC1(C)C	397624339	MFKJJDZVCVFSRS-DOMZBBRYSA-N	245.410	4.831	0	10	BJAE	
CNc1cccc(-c2ccc(C)c3ccccc23)c1	400161910	GZEWDHNGSIUYGB-UHFFFAOYSA-N	247.341	4.857	0	10	BJAE	
C[C@H](CCC1=CCCC1)c1ccccc1	401094763	YPXZMQJTDNSTLE-CYBMUJFWSA-N	200.325	4.681	0	10	BJAE	
CN[C@@H](C[C@H]1CC=CCC1)C1CCCCCCC1	402129678	FJKYOEIDHLDVKM-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@H]1CC=CCC1)C1CCCCCCC1	402151718	MMNVSWMAGLQDNM-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC=CCC1)C(C)(C)C1CCC1	402358291	OLULJEGMTFSXSU-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CCC[C@H](C(C)C)C1	686307781	VASQWHQAAZIRDI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC2CC=CC2)cc1	692133889	AHWNCQSWSSWZMY-CYBMUJFWSA-N	230.351	4.545	0	10	BJAE	
CC(C)Oc1cc(C(C)C)cc(C(C)C)c1	694958934	AYOWASBKMKAIKM-UHFFFAOYSA-N	220.356	4.721	0	10	BJAE	
C[C@@H](Nc1cccc(C2CCC2)c1)C1(Cl)CC1	695706088	WXPCIWIPISSJGR-LLVKDONJSA-N	249.785	4.526	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H](C)C1CCCCC1	696680374	YARDGMIYZAUZRN-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@@](C)(N)CC1CCC1)C1CCCCC1	704850571	YNDPFBHPCPBZOK-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H](C)C(C)(C)C	710826883	FNKAOUVWYDAMKO-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)c1c(C)cccc1C	711123946	SOIPLJCRQOIWSX-LSDHHAIUSA-N	247.426	4.636	0	10	BJAE	
C[C@H](C[C@@H]1CCNc2ccccc21)C(C)(C)C	711137549	WUJNNRSUKCUIPE-OLZOCXBDSA-N	231.383	4.658	0	10	BJAE	
CCc1ccccc1C(=O)C[C@H](CC)C(C)(C)C	711185443	SHCLJCLGBSOABJ-AWEZNQCLSA-N	246.394	4.894	0	10	BJAE	
CC(C)C(C)(C)CNc1cccc(F)c1Cl	713166883	YOXQDLMWCHPFTQ-UHFFFAOYSA-N	243.753	4.573	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCCC[C@H]1C(C)(C)C	713168930	LKBXPLNTHDJVGM-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC(C)(C)C(C)C)CC1	713366098	OURPMLAOQXLWHY-HDJSIYSDSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C\CC[C@H](NC)[C@H](CCC)CC(C)C	713683583	LVMQCDJVIFLHHZ-AISUJJHZSA-N	237.431	4.559	0	10	BJAE	
Cc1coc(C(=O)C2CCC(C(C)(C)C)CC2)c1	716192313	NNMGXCHDWCQDTL-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
CC(C)=C(C)CCCC[C@H](N)c1ccccc1	718642469	BITUWSLKHLKXIQ-INIZCTEOSA-N	231.383	4.603	0	10	BJAE	
CC(C)=C(C)CCC(=O)CC(C)(C)C1CC1	718773374	NZUZGXUJFWJJOG-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C2(C)CCC2)cc1	720745281	XQUKTOMHOOIIKP-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CCC(C)(CC)c1nc(C(C)(C)C)cs1	721691056	JQOSXZMSTLJOEQ-UHFFFAOYSA-N	225.401	4.518	0	10	BJAE	
CCC1(CC)CCC(NC2CC3(CCC3)C2)CC1	1203012989	YJSZWIYPXSGFHP-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
C1=Cc2cc(NC3CCCCC3)ccc2CCC1	1206691608	LPIBGNLCQUEDIK-UHFFFAOYSA-N	241.378	4.781	0	10	BJAE	
CC[C@H]1CCCCCN1C[C@H](C)CC(C)(C)C	1307483169	OPSQTMDDSITCOL-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1CCCC[C@@H]1C	1560478801	KNBHRCQDKIHJCX-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1cc(C)sc1C	1900695497	GPJSWSJEDAZNHW-CQSZACIVSA-N	240.412	4.615	0	10	BJAE	
CCCCCC[C@@H](CC=C(C)CC)NCC	1900842868	NZCJTTGVGVZSSQ-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@@H](CC)CCCC	1900883673	RSECMPNYZKKRKI-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CC(=CC[C@H](O)CC(C)C)CCCC(C)C	1900906876	VZIZEXLCJDWRFM-HNNXBMFYSA-N	226.404	4.556	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@@H]2CCCC[C@H]2C)n1	1905256060	FGUXZSNLWQTZLJ-KKOKHZNYSA-N	235.396	4.560	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H](CC)CCC	1905432190	PNPOPXMCUDDGIO-DZGCQCFKSA-N	227.436	4.747	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCC[C@H]1C(C)C	1907596861	TYPXRWSRFJBTQC-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
c1cc2cc(NC[C@@]34CCC[C@@H]3C4)ccc2s1	1909364523	YMJFAELRJVHYAN-DOMZBBRYSA-N	243.375	4.503	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(N)C2CCC2)CC1	1909711406	SZZOIQHRZUVRDH-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1C[C@H]1C(C)(C)C	1910807160	DEYMTWSLZQGBMY-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	1911807575	NYDPZEVDBOEYCW-OWCLPIDISA-N	246.394	4.684	0	10	BJAE	
C=CC=CCCc1ccc(C)c2ccccc12	1911921094	MHVPFAPEAZRVFE-UHFFFAOYSA-N	222.331	4.823	0	10	BJAE	
CCC[C@@H](C)CC1(CO)CC2(CCCCC2)C1	1912561706	JNKKXVIMWQPADI-CQSZACIVSA-N	238.415	4.536	0	10	BJAE	
CCCCCC[C@@H](O)[C@H](c1ccccc1)C(C)C	1921321478	YUHCIHBUTLMMOM-SJORKVTESA-N	248.410	4.758	0	10	BJAE	
C[C@H](C(=O)CC1(C)CCCC1)C1CCCCC1	1924101835	VERSPWAQAWLMIP-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@@H](C)C2CCCC2)cc1	1924128025	XYCRUSJLDGVFAH-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CCC1(C[C@@H]2[C@H](CN)CCCC23CCC3)CCC1	1924839032	QNVFKZBNJRYSGR-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@@H]1CCCC12CCC2	1925760511	LEISXOGYKDDSEN-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
COc1cc(C)c(C[C@@H]2C=CCCCC2)cc1C	1925842790	DUELQDSPUHNCQY-OAHLLOKOSA-N	244.378	4.601	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC[C@H]1C=CCCCC1	1925919199	BMFXAHNVDKKOJQ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C1CC[C@H]2[C@@H]3C[C@H]4CCCC[C@H]4[C@H]3C[C@H]2C1	1933278073	HYWZGHCYRBLPFH-SJJUBHFPSA-N	218.384	4.639	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)CCCCCC1CC1	1941590549	CHOWREXAZBSKEO-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)CCCCCC1CC1	1941590943	HAYLMKOMFNMGJC-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCNCC1([C@@H](C)CCC(C)C)CCCCC1	1942656921	MZFPIGBVOIFPEE-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNC(C)C)CCCC1(C)C	1944477823	LWQANFORCHESSB-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H]1CCC[C@H]1C)NC	1944819535	LCACCCKYFUUCRM-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H]1CCC(C)(C)C1	1945590516	FRNIYPLDWBJFOO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)N[C@@H]1CC[C@@H](C)[C@@H]1C(C)C	1947510748	QOKOIKJFRUOVPB-BMFZPTHFSA-N	239.447	4.616	0	10	BJAE	
OC1(C[C@H]2C=CCC2)CCCCCCCCC1	1947882387	YMDIJFGLPMMNDH-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CCC(C)(F)F)CNCC	1947997728	QKTJOYXDZZDCLZ-CQSZACIVSA-N	249.389	4.618	0	10	BJAE	
Cc1scc(C(=O)CC2CC3(CCC3)C2)c1C	1949843463	YMGMOEUACIQYAN-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C[C@H](C)C(C)C	1949918716	ULNBPZKAGHUOPC-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
Cc1cc([C@@H](C)N[C@@H]2C=CCCCC2)c(C)s1	1950618397	HXEDBEVTTSSOFI-TZMCWYRMSA-N	249.423	4.514	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@H]1CC12CCCC2	1950667394	DYCPSCAEFVZCCB-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CCCC[C@]1(CNC(C)C)CCC[C@H](C)CC1	1950924548	LXEDCJOLCGCKIU-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@@]1(C)CCCC1(F)F	1956822239	SAQXIIIHCZKWII-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
Cc1ccc(N[C@H]2CCC3(CCC3)C2)cc1Cl	1968262636	NROYQGKXWWDPIL-ZDUSSCGKSA-N	249.785	4.783	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H]2CCC3(CCC3)C2)C1	1969303276	MLLARKSHZKQHSF-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(CNc2ccccc2C2CC2)s1	1969417021	RFPMREWYOUZJKJ-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CCSc1cccc(N[C@H](C)C2(C)CCC2)c1	1969623854	DRXQWGOKGULVIP-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H]2CC(C)C)cc1C	1972023398	SUQOLZFCPHBKHV-DOTOQJQBSA-N	245.410	4.794	0	10	BJAE	
CCCC[C@@](C)(CN)CCCCCC1CC1	1978626349	KQIFUOMWHVYQKC-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CCC[C@H](C)CC1(O)CCC(C)(CC)CC1	1981065411	JJQICFRRBFBRKB-NFOMZHRRSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC1(CCC)CCC1	1988456626	DISIBPUIIPIDMG-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@@H](C)C(C)(C)C	1990123892	REXOHKQFCLOSLL-KGLIPLIRSA-N	227.436	4.569	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1csc(C)c1	1995253285	FSJWXUGCLHLJIL-BXUZGUMPSA-N	240.412	4.696	0	10	BJAE	
CCC/C=C/CNCC1(CC(C)C)CCCC1	1995866878	JGAXUNCTGSDWQN-RMKNXTFCSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@]2(O)CCCCCC2(C)C)C1	1996260133	MNSNLAUGNVITDH-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@H]1CCC[C@@H](C)C1	1996595323	UYIPRNHKTAZJPZ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCNC[C@H]1CCC[C@H](C)CC1	1997102785	FIVPKHUZSBFXTA-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)CNC[C@@]1(C)CC=CCC1	1997584367	SQYHPEYGSYINRX-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC2(CCC2)C1	1998693770	PSQHVHLYDCDAFN-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1ccccc1SC(C)C	1998745022	WVICVSMSHAZCAB-CHWSQXEVSA-N	249.423	4.788	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)CC2CCCC2)C1	2000055015	CELNPBGTMYZFPK-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](C)(CNCC)[C@@H](C)CCC(C)C	2000508304	ITCAXFQNNYFIGH-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCCCN(CCCC)[C@H]1CCCC(C)(C)C1	2000900058	JMSUTHJFUQFPNB-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCN(CC(C)(C)C(C)C)c1ccc(C)cc1	2000904705	XRHYUAXKBPQYAV-UHFFFAOYSA-N	233.399	4.504	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2002221701	RRQILVAXQZSDDC-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@@H]2CCCC(C)(C)C2)C1	2002993749	NJHBDUOWUBEZKG-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C[C@H](N)CC2(C)CCCC2)CC1	2003185101	PKHSXCJSNRNZMM-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CC1CCCCCC1	2004227129	KUVXKUBIBRFDAT-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H]([C@@H]2CCCC[C@H]2CC)C1	2006672324	CQMFHHOBKHXCJV-DSJMHWKBSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](CC)(CNC)CC1CC(CC)C1	2007754380	NVAFRUADUZVNFJ-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
C/C=C/CCCN1CCCC12CCCCCC2	2009576207	JJBXYPBEBGFZNS-NSCUHMNNSA-N	235.415	4.532	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@H]1CCCCC1(C)C	2009636663	YRBWZJIKRLXGNG-XEVLESSRSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(Nc2ccc(CF)cc2)C1	2009718480	YSIPXNPODCTBOT-UHFFFAOYSA-N	235.346	4.537	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@@H]1C(CC)(CC)CC	2009773753	WYCSLBISGNUFBI-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
CCCCC1CC(N)([C@H]2CCCC[C@H]2CC)C1	2009789280	IFODJPZVDMEPGD-FYRZTWFESA-N	237.431	4.501	0	10	BJAE	
CCCCC(=O)CC1=CC[C@H](C(C)(C)C)CC1	2010785281	WKEGUCHXBRKROH-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CC(C)CCCCCC(=O)C1CC(=C2CC2)C1	2011094167	SNUZXFKPFKUUGN-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@H]1CCCC[C@H]1C	2013308598	HWQFOGWGISDTHA-OAGGEKHMSA-N	239.447	4.712	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H](C)C1(C)CCCC1	2014341353	YOKCRPLSXIFEPO-LSDHHAIUSA-N	239.447	4.760	0	10	BJAE	
CCN[C@@H](CC)[C@@H](C)CCC(C(C)C)C(C)C	2015340886	WUBKYYLYZYBWCN-HOCLYGCPSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CCC(=O)[C@@]1(C)CC1(C)C)C(C)C	2015395468	ZQXKCMSIMRZZJV-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(O)CCC=C(C)C	2016150879	YXBFPWSQZURTPN-OWCLPIDISA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)C1(C[C@H](O)CCC2CCC2)CCC1	2017112579	PKIPXCZSFOOOLM-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@H](NC)C1(C(C)(C)C)CCC1	2017135409	UXWIQOHJCOUGCO-UZYOAWRESA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)c1ccc2sccc2c1	2017226856	WRTDOFPEJKJFDW-MNOVXSKESA-N	244.359	4.520	0	10	BJAE	
CCCC1CCC(CC2(CO)CCCC2)CC1	2017711340	BQGPGHQPQWRGGG-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCCC1CCC(CCC[C@@H](O)C(C)C)CC1	2017717362	YSDYQLNGPBZHEM-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C(C)=O)C(C)C)CC1	2017773121	VXFXGSWRKDMRLK-JYJNAYRXSA-N	238.415	4.844	0	10	BJAE	
CCCC1(CSc2cccc(C(C)=O)c2)CC1	2018923080	YWEKRDYEMXUKTA-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC1(CC2(O)CCC(C(C)C)CC2)CC1	2018974633	PQUBXWYYDAOZFA-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCCN([C@@H](C)CC)[C@@H](C)c1ccccc1	2019112620	CNUGMAOWRLCODV-GJZGRUSLSA-N	233.399	4.648	0	10	BJAE	
CN(CCCC(C)(C)C)C[C@H]1CC[C@H](C)CC1	2019331022	VPVRFPSDNNOSPB-SHTZXODSSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCC[C@H]1CC1(F)F	2019591017	UTMXTNYYGLJREK-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN(C)[C@H](CC)CCC(C)C	2022577253	VSSVXWAJBCZVSQ-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
CCCC1(C[C@@H]2CC(C)(C)CC[C@H]2O)CCC1	2024144862	AWMVHHCBSGGRIR-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C(C)(C)C1(C)[C@@H](N)C1=CCCCCCC1	2027155906	PXSNHBOBFMQPGB-AWEZNQCLSA-N	249.442	4.667	0	10	BJAE	
CCC1(C[C@@H](N)c2ccccc2C(C)C)CCC1	2027516939	AQMIPULCENALPR-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C[C@@H]1CCCCCC1=O	2029173779	IVUDOSCHCBCQJA-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C(=O)c1ccc(C2CCCC2)cc1)C1CC1	2031746873	RZILNLRORSUHJY-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
O[C@@H](CC1CCC1)c1ccc(C2CCCC2)cc1	2031747399	RXBZIHPKUGXVJA-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CC1CCC([C@H](N)[C@]23CCCC[C@@H]2CCC3)CC1	2031756037	AXSZWOKRJCJGAV-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C(=O)[C@@]23CCCC[C@H]2CCC3)CC1	2031853921	ZSMIXEULLFNUHC-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
FC1CCC(CNc2ccc(C3CC3)cc2)CC1	2032179630	UDMLYBKYUKBHPM-UHFFFAOYSA-N	247.357	4.504	0	10	BJAE	
NCC1(CC2[C@H]3CCCC[C@H]23)CCCCCCC1	2032839374	HMGOUBWNPAZVCT-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@@H]3C[C@H]3C2)CCCC1	2035887429	PHLPWOZBOADQGJ-HLLBOEOZSA-N	249.442	4.658	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@H](N)CCC1=CCCCC1	2039435473	DPRFUWDAKPMOFZ-OIISXLGYSA-N	247.426	4.587	0	10	BJAE	
CCCN[C@@H](CC1CC2(CC2)C1)C1(CC)CCC1	2039721862	JTOGXHSBIJOKSF-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2ccc(F)cc2)CC1	2041381470	ABZQHXMOGSIFCL-CHWSQXEVSA-N	248.341	4.615	0	10	BJAE	
CC1(C)CCCN(C[C@H]2CCC=CCCC2)CC1	2045315340	SQLWWHHXISVBMQ-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)C[C@@H]1CCC=CCCC1	2045316087	AMZYFZXUVQIDKX-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CCc1cccc(NC[C@@H]2CCC=CCCC2)c1	2045328719	HOCPCDLTQCZSBG-MRXNPFEDSA-N	243.394	4.797	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C[C@H]1CC12CCCCC2	2047006505	BKIIZWJKVYNTED-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC12CCCCC2)C1(C)CC1	2047595867	MJAGWFRFWPTEBO-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@H]1CCC12CCC2	2047933604	VHCNEQNFTOXBMT-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2[C@H]3CCCC[C@H]32)CC1	2048442192	ULZDKFRPAPGOTK-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H]2CC23CCCC3)CC1	2049414517	IHFJQRQPIPBYHD-LBDPXKHJSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NC[C@@H]1C=CCCCC1)[C@H]1CCC[C@@H](C)C1	2049534572	YJYKXFLFTINYRM-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(NCC[C@@H]2CC[C@@H]3C[C@H]23)CCC1	2049668762	CZYSRHVTRAQVOW-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@H]3CCCC[C@@H]32)CCC1	2049681065	KGKUMBSSQLLBSD-HYVNUMGLSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)[C@]1(C)C=CCC1	2050006020	KFGPOHKSTQUKCE-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C2(N)C3CCCC2CCC3)CC1	2050012413	QDSJFUBWODEVAZ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CCC[C@H](NC)c1ccc(C)cc1	2050424697	CRAXPZPYDSGCGV-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCC1(CC)CCC(Nc2cccc(C)n2)CC1	2051659202	FXECLYIEYSEGNX-UHFFFAOYSA-N	246.398	4.551	0	10	BJAE	
CC1([C@@H](N)c2ccc(F)cc2)CCCCCCC1	2052475240	JAESKTNVHIUSJI-HNNXBMFYSA-N	249.373	4.576	0	10	BJAE	
CN[C@@H](C1CCCCCC1)[C@H]1CCCCC12CC2	2053413365	TYGAFWHSYVBAPK-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCCCc1ccc(N[C@H]2CCC[C@@H]2F)cc1	2055274259	FKDLQEAEYZQUAQ-HOTGVXAUSA-N	249.373	4.722	0	10	BJAE	
CCC1CCC(CN[C@H]2C=CCCC2(C)C)CC1	2055531445	HRXOPQUHBCLFMS-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC=C[C@@H]1NC1CCCCCCCC1	2055536910	QVFKRWJTKSRZFN-INIZCTEOSA-N	249.442	4.824	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCC[C@H](C(C)(C)C)CC2)CC1	2055847311	ZVFCCILCDHVWNK-ARFHVFGLSA-N	249.442	4.680	0	10	BJAE	
CCC1CC(CC(=O)C[C@H](C)c2ccccc2)C1	2056667110	AIGQIBRVHGMEAG-NFOMZHRRSA-N	244.378	4.576	0	10	BJAE	
CCC1(NCC2CC(C3CCC3)C2)CCCCC1	2056723661	QOICSFQUBUYGLQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H](CC)c1ccccc1	2056783159	SJTNBBCNTOAQNT-IRXDYDNUSA-N	245.410	4.515	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C[C@@H](C)C2CC2)cc1	2057345916	LCVYMUONTINIPW-OGHNNQOOSA-N	246.394	4.670	0	10	BJAE	
CC=CCCC[C@H](NCCC)c1c(C)coc1C	2059261914	IFVDOTMHIKIBFY-HNNXBMFYSA-N	249.398	4.684	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](NC)C1=CC[C@H](C)CC1	2060924948	HUJCBTLRRQBIEN-FSDCSDTHSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)C1CC(C)(C)C1	2061083388	BUAGODOUAYKVRU-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C([C@](C)(N)C2CC(C)(C)C2)CC1	2061110658	JUEVLWIKIAHHTD-GUYCJALGSA-N	249.442	4.523	0	10	BJAE	
C=C=CCCC1(CNC(C)C)CCCCCCC1	2061562396	CPNLDYYHYKEPQX-UHFFFAOYSA-N	249.442	4.836	0	10	BJAE	
O[C@@H](CCC1CCCC1)CC1CC(=C2CCC2)C1	2061688130	LXJGIJVRKXRLLR-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CC1CC(=C2CC2)C1)NC	2061730696	LCVYWLGMPJAGDM-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)c1ccc(C2CC2)cc1	2062638030	NJFHWXSHYWXBMA-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CC1(C)CC2(CC(C[C@@H](N)CCC3(C)CC3)C2)C1	2063204164	MWAGHGHAWIOBCN-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC1(CC2(CN)CC3(C2)CC3(C)C)CCCCC1	2064005926	WUARPTBVRTTXNX-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC1(C)[C@H](CN)C12CCC1(CCCCCC1)CC2	2065896757	GVRZVNBLHZWGES-AWEZNQCLSA-N	249.442	4.502	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2C[C@H]3CC[C@@H]3C2)CC1	2068712691	GUUBQSSTQSVAGG-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@]2(C)C=CCC2)CCC1	2069343204	XCRYLNHJGFLOJO-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H]2CCCC23CC3)CCC1	2069344067	GVRAZTUSVZZVED-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C1(CC2CC2)CCC1	2069511054	JSSSCEUCRDZETL-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1(CC2CC2)CCC1	2070409988	WDRLTPCKUJJOAC-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@@]2(C(C)C)C[C@@H]12	2070412435	CBAUKWSPSDYKAT-NXOAAHMSSA-N	249.442	4.536	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC[C@H]3C[C@H]23)CCCCCCC1	2071190325	HBTNKDKXAOWBKD-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@@H]2CCCCC23CC3)CC1	2072695021	FBEHVBAOJJVFKJ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CC[C@H]3CCC[C@H]32)CC1	2072800800	HTYNFWIXMUSOCK-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2C[C@H](N)CC3(CCC3)C2)CC1	2072821652	NOEASVUZWTULBF-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC1(CCNC[C@]23CCCC[C@@H]2C3)CCCCC1	2074046089	IQVOUKHWSXBSDG-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1cccc(NC[C@]23CCCC[C@H]2C3)c1	2074046637	LSDXPVWVRGTBAX-DOTOQJQBSA-N	243.394	4.802	0	10	BJAE	
CC=C(CC)[C@H](NC)c1cccc(C(C)(C)C)c1	2077188580	YMIMRHSZEQHVIH-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CNc1cccc(C2CCC2)c1	2079623728	IOMYXOXPIXCSHA-NVXWUHKLSA-N	243.394	4.658	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)CCCC(C)(C)C)c1	2082943307	ZWUXISWMILHHOR-MRXNPFEDSA-N	248.410	4.862	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCCC(C)(C)C2)oc1C	2082988488	VLZCGPMGICICCX-ZDUSSCGKSA-N	248.366	4.686	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2[C@@H]3CCCCC[C@@H]23)C1	2083040210	CQADPADBPBVAFB-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@](C)(O)c1sc(C)cc1C	2210564401	OWHDCXPYKSKZRC-AWEZNQCLSA-N	240.412	4.543	0	10	BJAE	
CN[C@@H]1CCCC[C@H]1CCCCCCC1CC1	2213577069	XQOOECBCXYAQFC-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC1(CC[C@H](N)C2CCCCC2)CCCCC1	2214777256	QZELZVMBGHAEKK-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)C[C@@H](C)CC(C)C)CC1	2215801545	JKWPIWGVHOFNFF-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@H](CNC1CCC1)CC(C)C	2217126155	STJVGWRZQZCDGH-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CN[C@H](C)CC)C[C@H]1CCC[C@H](C)C1	2217136576	OXHGSKBMAKXFML-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](N[C@H]2CCC23CCCC3)C1	2218040262	NJQTZVBMGAXTHU-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H]2CC[C@H](C1)N2CCCCCCC1CC1	2218756650	YNJNBMDDOLMWQF-XGBSXSJOSA-N	249.442	4.610	0	10	BJAE	
CC(C)c1ccccc1C(=O)CCCCC1CC1	2220012686	IZMCCIAWNYMVTM-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@H]1CCCCC12CCC2	2220043342	CIWALKABFXLONI-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCOc1cccc2ccccc12	2220964044	VBGFVHPSBKYPHB-HIFRSBDPSA-N	240.346	4.655	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H](C)[C@H]2CCC2(C)C)CC1	2221639436	BMYPHHPPLYIPNC-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](CNC(C)C)([C@@H]2CCC[C@@H]2C)CC1	2221664516	TYFHBSOOGKIZII-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H](C)[C@@]1(CNC2CCC2)CC=CCC1	2223542061	NVRBXHQCUNFIHC-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CCC(C)(C)C2)C=CCC1	2223559157	NZIWODHEHNZHDN-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@]1(CNC2CCC2)CC12CCC2	2223571256	FXNAUCPWWRNUME-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)SCCCCCCCCCCO	2244424890	OSKPMXKUSVGPGX-UHFFFAOYSA-N	246.460	4.631	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H](C)CC(C)(C)C	2244779646	DZWJZFFQSZLUMK-QWHCGFSZSA-N	226.404	4.844	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@H](CC)CCC	2244783996	MDOYBNNSZBAJGP-RBSFLKMASA-N	227.436	4.617	0	10	BJAE	
C[C@@H](C(=O)c1cc2ccccc2s1)C(C)(C)C	2246950387	BKRXOYFNZNEKLU-JTQLQIEISA-N	246.375	4.766	0	10	BJAE	
CCN[C@H](CCCCC[C@@H]1C[C@H]1C)C(C)(C)C	2247112353	LBZAPQDPUOTONG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)N(C)CCCC[C@@H]1C[C@H]1C	2247165383	QVVXHPFJEIXAAC-OAGGEKHMSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@](N)(CC1=CCCCC1)C1CCCC1	2247514419	UZOMVRGFUYVMCK-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@](C)(CN)CC[C@H]1CCCC12CC2	2247586167	LYNGAYMUPQMHLL-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CCCCC[C@H](CCCCC[C@@H]1C[C@H]1C)NC	2248823648	VGJSOJYXZWYSKW-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C1=CCCC(Nc2cccc3ccsc23)CC1	2249283346	HJYMGEVRCBPADT-UHFFFAOYSA-N	243.375	4.812	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)c1ccc(C2CCC2)s1	2250279352	RORDOKFVMFHKNX-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
CCCCCC[C@H](NC)[C@]12CCCC[C@H]1CC2	2251106976	TWLIMLGLEGWVIO-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@]12CCC[C@H]1CC2	2251177090	VYOKEPROQXZVHW-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](C)(O)C[C@]12CCCC[C@H]1CC2	2251223193	ROALZVCYABSSGS-HRCADAONSA-N	238.415	4.678	0	10	BJAE	
CC(C)=CCC[C@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251720525	QJHSCETXZPYCPU-UONOGXRCSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CC(C(=O)c2ccc3ccsc3c2)C1	2253136396	YYFYGZGYQYZYPE-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
N[C@@H](CC[C@H]1CCCCC12CC2)C1CCCCC1	2253870771	XBTJLOMNPNLTKT-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@@H](C)C1)[C@H]1CC[C@H](N)CC1	2253932311	BBDYLWRAFONTJC-XLNGHYISSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(N)CC(C3CCC3)C2)C1	2253940174	YKOXBMHGASVDAE-QBBMROGASA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CCCC[C@@H]2C[C@H]2C)CC1	2254544961	RVRJWCCJQCEMMI-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
N[C@@H](C[C@H]1CCCC12CC2)C1=CCCCCCC1	2255230812	ZOQLHOSCHZLNMN-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCCC(C)(C)C1	2256143649	FMKGBFRQTCMQAJ-ZDUSSCGKSA-N	249.373	4.769	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H]2C=CCCC2)cc1	2256238243	FRKQTZHWMJQUIC-OAHLLOKOSA-N	242.362	4.568	0	10	BJAE	
C[C@H](N[C@@H](C)[C@H]1CC12CCC2)C1CCCCCC1	2256437969	TWOZRMMRUHKAFB-OFQRWUPVSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)CNc1cc(C2CC2)ccc1F	2259115182	APPWGPZRBBKEPO-UHFFFAOYSA-N	249.373	4.797	0	10	BJAE	
CCC1(CC)CCCN1C[C@@]12CCCC[C@H]1CC2	2260570825	RJODLIJNBBRUFD-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCN(C[C@@]12CCC[C@H]1CC2)C1CCCCCC1	2260576442	ZGWMYSAISXVVIF-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
Cc1cn(CC2CC(CC(C)(C)C)C2)c(C)c1C	2261299930	ROOXMJJOJJOVSQ-UHFFFAOYSA-N	247.426	4.876	0	10	BJAE	
CCN[C@@H](CCC1CC(C)C1)C[C@@H]1C=CCCC1	2261497911	QXCMLMONFLGRSS-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
COc1ccc(CCC2CC(=C3CCC3)C2)cc1	2263280320	QIVABUCVVWCKJS-UHFFFAOYSA-N	242.362	4.518	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H](C)C(C)C	2300458448	JJNBDLJEJJPKSG-AWEZNQCLSA-N	233.399	4.822	0	10	BJAE	
CCC(CC)CC[C@H]1CCCCCCC[C@@H]1O	2300675374	DVOKDPBZJYFKBT-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CC[C@@]1(CO)CCC[C@@H](C)CC1	2300688390	MRKAQTRRXCYTSB-GDBMZVCRSA-N	240.431	4.782	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCC=C(C)CC)CC1	2300869479	JEIZIACDOFSPGV-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CCNCCCC1=CCCCC1	2302350696	AOQZSHNYOYKQSZ-UHFFFAOYSA-N	235.415	4.603	0	10	BJAE	
CCC[C@](C)(CCCC1=CCCCC1)CNC	2302356763	QXKUOEKJQDOBFP-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CC[C@H]1CCC[C@@]1(O)CCCC1=CCCCC1	2302362021	UMZPXHNQODDFPX-HOTGVXAUSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(O)CC[C@@H]1CCC(C)(C)C1	2304358319	GWUACGMPZUUVCT-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC[C@H]1CCC(C)(C)C1	2304400486	WRQFWJCEKNUDEG-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)CN1CCC[C@@H](C(C)C)CC1	2307761399	RUQHPSWDTALEKT-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H](C)C1CCCCC1	2307902279	KJBYBWNPRIWKTF-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)C1(CC)CCCC1	2307905831	ZTOZUYJJDKPJIQ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](N[C@H]1C[C@@H]2CCCCCC[C@@H]21)C1CCCC1	2309185141	RMSREHKIWDCUTR-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
O=C1CCCCCCC[C@H]1CC[C@@H]1C[C@H]1C1CC1	2309402381	STSNBICGKPGDES-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCC[C@@H]3CCCC[C@H]32)C1	2311968794	FILXRPZSONQAKQ-YYIAUSFCSA-N	249.442	4.610	0	10	BJAE	
N[C@H](C[C@H]1C[C@@H]2CC[C@H]1C2)C1CCCCCCC1	2312886987	LLFPQGGXRLORPU-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N(C)[C@@H]1CCCCCC12CC2	2313602762	CTRGBTAIEWAGEA-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@H]2C[C@@H]2C1)CCCC(C)C	2316491906	RAAMOOLEFOJSRY-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN[C@@H]1C[C@H]2CC[C@@H]1C2)CCCC(C)C	2316496000	IDKRNSKTLWLTSL-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@@H](C[C@@H]1CCCCC12CC2)NCCC	2316535865	KIBHEGBGTWVVIF-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H]1CC(C)(C)[C@@H]1C	2318259875	VKDJEJHBGNFZJS-IUODEOHRSA-N	244.378	4.504	0	10	BJAE	
CCC(CC)(CC)CNc1cc(C)c(O)c(C)c1	2318432815	LPIVKDKDXYOUEP-UHFFFAOYSA-N	249.398	4.637	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@](N)(CCCC2=CCCCC2)C1	2318566113	UCBJXXJDEXOJBV-INMHGKMJSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)CCCC1=CCCCC1	2318586954	OLRBLEUFKCPFLU-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@@H]1CC2CCC1CC2	2318879178	CBVMQZHYHZSXRE-SJJHQCBESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CNc2ccc(C3CC3)cc2)C1	2319032864	WPPUARUUPMAJOH-CYBMUJFWSA-N	243.394	4.802	0	10	BJAE	
CC1(C[C@H](N)CC[C@H]2CC[C@@H]2C2CC2)CCCC1	2319734839	SHJNPKVTOIKOSN-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(OC[C@H]2CC[C@H]2C(C)(C)C)c1C	2320253601	NDLPRYYEKWMIIX-HUUCEWRRSA-N	246.394	4.755	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC[C@@H](C)C[C@H]2C)CC1	2320422256	GMQRMKJNZWBRTR-BASLNEPJSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc(NCC[C@H]2CCC(C)(C)C2)c1	2321528701	KDRAAYMVWUJONN-OAHLLOKOSA-N	245.410	4.932	0	10	BJAE	
CC(C)CC12CC(C(=O)CC3=CCCCC3)(C1)C2	2321583693	HGPSGHJGMKRXTA-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)C2CC3(CCC3)C2)C1	2321606645	YGTHORYAZBTMQN-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](NCC)c1ccccc1	2328272435	FZTZJBGOCCZTNV-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
CSc1ccc(NC2CCCCCC2)cc1	20006817	YKPQQFFSMVZLLD-UHFFFAOYSA-N	235.396	4.543	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1C)c1ccccc1	20008603	SHTGRFRXLLPRQC-MRXNPFEDSA-N	239.362	4.867	0	10	BJAE	
CCC[C@H](C)CNc1ccc(Cl)cc1Cl	20024437	BAIDYBVOOJPPAT-VIFPVBQESA-N	246.181	4.842	0	10	BJAE	
C[C@@H](CNc1ccc(Cl)cc1)c1ccccc1	21501146	SQAKPCXHTFVZJX-LBPRGKRZSA-N	245.753	4.556	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCCC[C@H]1CC	37031853	SBRSYNZKZVOTPI-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CCCCCc1ccc(C2CCC(=O)CC2)cc1	59430957	AATFVEWYPSIRAT-UHFFFAOYSA-N	244.378	4.646	0	10	BJAE	
CCC[C@H](CCC(C)(C)C)CNC(C)(C)C	71127010	DMTPAPOZSCDJHF-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCCn1ccc2cc(C(C)C)ccc21	75232803	NNUQUTAAVCDIMN-UHFFFAOYSA-N	215.340	4.565	0	10	BJAE	
CCCCCCC(=O)CCCc1ccccc1	79105157	CEXJMASOSKJCFG-UHFFFAOYSA-N	232.367	4.549	0	10	BJAE	
CC[C@H](O)c1cc2cc(C(C)(C)CC)ccc2o1	88072178	IXCJXOCCBRVKES-ZDUSSCGKSA-N	246.350	4.564	0	10	BJAE	
CCCCCC[C@H](CNCCC)c1ccccc1	88097889	SWDPTDVIVIXTLG-QGZVFWFLSA-N	247.426	4.740	0	10	BJAE	
C=Cc1cccc(-c2ccccc2)c1OC(C)C	90735130	GPACLCWBWORZEE-UHFFFAOYSA-N	238.330	4.784	0	10	BJAE	
CCC1CCC(=C2CCc3cc(N)ccc32)CC1	94338610	VDJNWGLTQSUBRN-UHFFFAOYSA-N	241.378	4.569	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@H](C)C(C)(C)C)c1	111646293	HXENEZLHBMSRPX-ZDUSSCGKSA-N	232.367	4.558	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1ccccc1CC	125097245	OASOXTXWNRIXQK-YOEHRIQHSA-N	247.426	4.855	0	10	BJAE	
CCCCCC[C@@H](N)c1cccc(CCC)c1	131608770	KUDITRQJELSYKK-MRXNPFEDSA-N	233.399	4.609	0	10	BJAE	
C[C@H]1CC[C@H](N)c2cc(C3CCCCC3)ccc21	136910433	ULCYGFNEFSYDCU-SJCJKPOMSA-N	243.394	4.631	0	10	BJAE	
CCC[C@@H](Br)c1ccccc1Cl	143296970	KAVJXEAFXOEEBA-SECBINFHSA-N	247.563	4.576	0	10	BJAE	
CCCCC(=O)CC1CCC(CCC)CC1	145043902	ITYDEVYLGBJZCL-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
C/C=C/CCCCCCCC(F)(F)F	148184130	RVMAQXUPJHCDKZ-NSCUHMNNSA-N	208.267	4.856	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC(CC)CC	148271020	OMBXAEAWCGNWIY-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCC(C)(C)C[C@@H]1C	155829002	UJORLORRFSADAS-SWLSCSKDSA-N	249.373	4.761	0	10	BJAE	
CCNCC1(C2=CCCCC2)CC(CC)(CC)C1	161446349	SRUUTTBGMZDXLR-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C[C@@H](c1ccccc1)C1CCCCCC1	196041769	WXKKACNPJQPBSL-CYBMUJFWSA-N	202.341	4.761	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@@H](CC)C1)c1ccccc1	227193518	UHXNCRAFHHPPBN-OIISXLGYSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC1CCCCC1	229228218	ZIDWWAWDXONSJC-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CC2CCCCC2)C1	231016111	QFKNIBLYZRNVGR-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2[C@@H](C)CCC[C@H]2C)c(C)c1	251142834	DNUUDTWIXSEGOT-VIKVFOODSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCC[C@H]1CC	251264679	CCUYJIMNPWGLPC-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
O=C(CCC1CCCCC1)CC1=CCCCC1	304131999	YNSCOFGUAAVCAP-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@@H](CCC2CCCC2)C1	305895099	DFIURRHNLKUSFO-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC(C)Cc1ccc(C(=O)CCC(C)(C)C)cc1	305933992	KBJJTNPQMPRLJK-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CSc1ccc(N[C@@H]2/C=C/CCCCC2)cc1	306059155	YKGDFSGLRSIWLO-VUDGCMKMSA-N	247.407	4.709	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC1(CC)CCC1	308056623	OWIAGSQVVBNRRW-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCC1CCCC1	308060599	YFSXDDVESDLZPO-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
CC1(C[C@@H]2CCNc3ccccc32)CCCC1	310435671	UKPYDGUQQQIJSQ-ZDUSSCGKSA-N	229.367	4.556	0	10	BJAE	
CC1CCC(C[C@@H](C)CCNC(C)(C)C)CC1	310548239	VQUCVOZCCLZRIT-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CNC1CCCCCC1)C1CCCCC1	310556373	IJMVPSNSGMQZRF-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CNCC[C@@]12CCCC21CCCCC1	312981098	BIGHXRDAUXWTNJ-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCC[C@H](N[C@@H](C)C[C@@H](C)CC)C1CCCC1	313408249	LWRYMAPJPKQHIS-DZKIICNBSA-N	239.447	4.760	0	10	BJAE	
CCCNC[C@@]1(C(CC)CC)CC[C@H](CC)C1	319246763	XRXHFVUMZBKBIA-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)[C@H](C)[C@@H](C)CC	319450394	SPFZGTMOLCQOPO-ARFHVFGLSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1ccc2ccccc2c1	320056032	LYMKBHBIFQSUKD-OLZOCXBDSA-N	240.346	4.705	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)C(C)(C)C1CCC1	322899325	CHSWUJIYFDZGEX-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCNCC[C@H](C)CC/C=C\c1ccccc1	324086607	AYVPYMVONAAYLY-IYCSXQJISA-N	245.410	4.506	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)c1cc(C)oc1C	381188249	VYYWNFJQVYBHHQ-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CCCC1(N[C@@H]2CC[C@H](C)[C@H](C)C2)CCCC1	382298954	OZWLCHAVYULWSO-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C2(C)CCCCC2)C1	383433547	CDYNHBQIMLDFIS-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H]1CCC[C@@H](C)C1	383557744	RMWTUYSQFVZQBG-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@H]1CC[C@@H](C)C1	385216021	QXVHQBQMVIRXDW-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CCCC1	386054528	WBFOQYGBHZBXGI-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](NC)C(C)(C)C(C)(C)C	390818050	PVQRITIWHLSJSW-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](C)NCCC(C)(C)C1CC1	393957744	JDLZNHRTWLDLHS-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
COc1c(Cl)c(C(F)F)cc2sccc12	396187258	PWQWHORNNHKVRV-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
Cc1ccc2sc(C)c(C(F)(F)F)c2c1	396190915	BEMZURAXRHLYJF-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
Cc1cc2c(S)cc(C(F)(F)F)cc2s1	396308856	SAGMWRGZFFMBHX-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C)[C@@H]2CC2(C)C)cc1	397636563	XELKGHORUPPDIT-WFASDCNBSA-N	231.383	4.657	0	10	BJAE	
C[C@H]1CCCc2[nH]c3ccc(C(C)(C)C)cc3c21	527397302	ZFUBZVUZCRYHCM-NSHDSACASA-N	241.378	4.905	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)C(C)(C)C	686245179	GRMSTNWIHYOLIA-LBPRGKRZSA-N	219.372	4.657	0	10	BJAE	
CCCC[C@](N)(CC)CC/C=C\c1ccccc1	690514739	JRVXQCROXQCMKR-HOFZKYPUSA-N	245.410	4.778	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1cccc(C(C)(C)C)c1	691712485	OUKUTIFBZMPTLH-ZENOOKHLSA-N	248.410	4.700	0	10	BJAE	
CCC[C@@H](CC)NC1CCC(C2CCC2)CC1	695938664	SOBGQZYKIUGESU-HWOWSKLDSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(C(=O)CC(C)(C)C(C)(F)F)C(C)C	700327229	LDIYTHCVPBNASU-UHFFFAOYSA-N	248.357	4.555	0	10	BJAE	
CCCN[C@@H](c1cscc1C)C(C)(C)CC	701100706	PVOVLOBSUFBTKV-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@](N)(CC)[C@H]1CCCC[C@H]1CC	702027731	UMTCDDHEHDMPFM-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(NCCCCC(C)C)c(C)c1	703975265	IRFGOKXNIIFBGP-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1C[C@H]1C(C)(C)C	704171472	UVWGNSPLEVFNBM-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@@H]([C@](C)(N)CCC(C)(C)C)CC[C@H]1C	704851181	CTDWNTIQZCYSOC-ORIJERBGSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)CC1CCCCC1	704959845	OSZOIJCLVRWCAE-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2C[C@@H]3CCCC[C@@H]32)CC1	712524257	KVLQHPWJJHRVKA-ALYAQQCSSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)CCC1CCCCC1	713230297	SGKKQVYTEJMGOL-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
C=C/C=C\CC[C@@](O)(CC)CC1CCCCC1	713672594	IIUYELGZOYQYPR-KJPDOMRESA-N	236.399	4.620	0	10	BJAE	
C=C/C=C\CC[C@@H]1C[C@H](CCC)CC[C@@H]1CNC	713710909	PAMIFNWIWPIOMD-SKACODALSA-N	249.442	4.561	0	10	BJAE	
C=C/C=C\CC[C@]1(O)CCC[C@@H](CCC)CC1	713748008	JTWRNJHHOURPOL-OKQSBHACSA-N	236.399	4.620	0	10	BJAE	
C(CN[C@@H]1CCC[C@H]2CCCC[C@@H]21)CC1CCC1	714312236	WLBVVPADCGBARW-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NCCCCC1CC1)c1cccc(C)c1	716398327	MZSZLSXCSUHONC-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
C[C@H]1C[C@H](C2CC3(CCC3)C2)Nc2ccccc21	717543360	PAEUJQXSYCNQNK-BLLLJJGKSA-N	241.378	4.555	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C1CC(C)(C)C1	718581762	COJNNLAAPPORLI-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)C[C@@H](C)C(C)(C)C	718601526	QLNUXJXXIQDCSM-ZIAGYGMSSA-N	226.404	4.556	0	10	BJAE	
CC(=O)c1cccc(SCCC(C)=C(C)C)c1	718694883	YZIWUSQCQREIBN-UHFFFAOYSA-N	248.391	4.728	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](NC)C2(C)CCC2)cc1	720712159	ZZVHXUBBELTLTP-CZUORRHYSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc2c(c1)CCCC2	721706078	QADOICXVQAJDRO-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H](C2CCCCC2)C2CC2)C1	723946643	FULXKMTZTJFKAT-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CC(C)(NCCCC1CCC1)C1CCCCC1	1307723452	GMSHLJJPFMZBID-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CSC[C@H]1CCCc2ccccc21	1613781968	AHIZXFIXWHEEFB-CQSZACIVSA-N	248.435	4.886	0	10	BJAE	
C=C/C=C\CCN[C@@H]1CCC[C@H]1CCCCCC	1659932214	WBPQSRHXLOHYPK-QXUXXFOKSA-N	249.442	4.847	0	10	BJAE	
CC[C@@H](C)[C@H](C)N(Cc1ccccc1)C(C)(C)C	1880414224	YSQRMEIUUOSLTK-CABCVRRESA-N	247.426	4.722	0	10	BJAE	
CCCNCCC=C(C)C[C@H]1CCC[C@H](C)C1	1883836376	MYQSXQHZYWMIPS-HOCLYGCPSA-N	237.431	4.539	0	10	BJAE	
CC(C)=CCCCC[C@H](C)C(F)(F)F	1888871331	JNSJQNRJXLCODE-JTQLQIEISA-N	208.267	4.711	0	10	BJAE	
CCC(CC)CC[C@@H](O)C(CC)(CC)CC	1900692705	GRPOOSBFCFAJEV-CQSZACIVSA-N	228.420	4.780	0	10	BJAE	
CCCC(=O)CCCCCC1=CCCCC1	1901932999	MAYONFASRMNCGE-UHFFFAOYSA-N	222.372	4.807	0	10	BJAE	
Clc1cc(SC2CCC2)c2ccccc2n1	1903150543	XOZKNRUMKDSXLF-UHFFFAOYSA-N	249.766	4.533	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C[C@@H](CC)CCC	1905442128	CMOIJSYINYUYGX-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CC)CCCCC=Cc1ccccc1	1911829513	ZOARYKVFTCNPTI-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
CC(C)(CCC1(N)CC2(CCCCC2)C1)C1CC1	1912608905	IZKWJBUVBMWFQN-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](C)C[C@](O)(CC)c1ccc(CC)cc1	1919611841	VXZJTKZGZGOTAZ-RHSMWYFYSA-N	248.410	4.673	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C12CCC(CC1)C2(C)C	1921428491	JSNDHNAGBKOBPJ-UIORMTCPSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC[C@@H]2CC2(C)C)CC1	1921541864	UFJUVODNZAUZBS-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)NC[C@@]1(C2CCCC2)CCCC12CCC2	1921591911	JOIFGEHTFJFWPV-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@]1(CNCCC)CCCC12CCC2	1921645769	VURUANSMJROIRJ-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
Fc1cccc2cc(C[C@@H]3C=CCCCC3)oc12	1925843390	JXKOHFDDGCOCAX-GFCCVEGCSA-N	244.309	4.861	0	10	BJAE	
CCCCCC(=O)CCC(C)(C)C(F)(F)F	1937775778	KWRXFYQRAWFCIW-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)CCC[C@H]1CC1(C)C	1940874709	VPTNIYUMXZFLCX-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CCC[C@H]1CC1(C)C	1940875025	WODPSRVHVZNFSA-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CCC1CCCCC1)c1cccc(N)c1	1940977300	SYCIWQXKHSCVBJ-ZDUSSCGKSA-N	231.383	4.733	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)C[C@H](C)C1CCCCC1	1941253412	VBTAPUKGTZNEKT-IMJJTQAJSA-N	240.431	4.636	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H](CC)C(C)C)c1	1941266178	AWZRIIGFAZLRFQ-HNNXBMFYSA-N	232.367	4.504	0	10	BJAE	
C[C@H]1CC(C[C@](C)(N)CC(C)(C)C)C[C@H](C)C1	1944201848	FQAVIFIBZUNLNV-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)C(C)(C)C(C)C	1944665488	GJKXVGAVNLPOJC-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCC1(C)C)C(C)(C)C	1945748715	MZRVJLSUWBDAFI-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NCC(C)(C)C1CCCC1	1946158159	KVSYZGIDVPTWII-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC(C)(C)C(C)(F)F	1949014409	DCUAACJNMLUDCX-FZMZJTMJSA-N	249.389	4.602	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H]1CCCC[C@@H]1C)CC(C)(C)C	1949020442	JCVRNPBBXJEUIT-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc([C@@](C)(N)CCC2=CCCCC2)s1	1949048235	JIQGFTLYIXFIIH-HNNXBMFYSA-N	249.423	4.511	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@H]2CC[C@@H](C)C2)cc1	1949502428	VFKXLHSEVDNCFC-WWGRRREGSA-N	232.367	4.768	0	10	BJAE	
CCCN[C@@H](C)CC[C@H]1CCC2(CCCC2)C1	1949551855	NHTXBNDLCHFXAI-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC(C)(C)[C@H](N)C1	1949651378	ATSKKDCWEWUSTR-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2CCCCC2)CC1	1950920234	SWXJKFJLPRIFSZ-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc([C@@H]2CCCCN2CCC(C)(C)C)o1	1964148446	KXFRPJNQHYSXOR-AWEZNQCLSA-N	249.398	4.551	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCC[C@H]2C2CC2)CC1	1966047595	FTAURAGSWDIKHJ-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCC[C@H](CC)CC1	1967708732	SRDYVGIOFNZESC-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
C[C@H](CCC1CC1)N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1967738742	MGPMCVUJLMXYRB-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(N[C@H](C)C2CC3(CCC3)C2)ccc1F	1968590900	ACYOQXIQFMXNIW-GFCCVEGCSA-N	247.357	4.515	0	10	BJAE	
C1CCCCN([C@H]2CCC3(CCCC3)C2)CCC1	1968644004	COSAPEIYBPNSPC-INIZCTEOSA-N	249.442	4.756	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H]2CC[C@H]1C2)C1CCCCC1	1969166156	AWBUBRIKUSKHTL-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)C1CC2(CCC2)C1	1970819583	HPZUHMOMFARCCA-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CCCCC2)C1)C1(C)CCC1	1970849571	OZIDTDRGYUQSJZ-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](NCC(C)(C)CCC)C1CCCC1	1973163933	LYUPFQQBQBXXCU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C1CCC(CCNC2(C3CC3)CCCCC2)CC1	1973779873	IOTYLRJRJLPCML-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@@](N)(CC)CC(C(C)C)C(C)C	1988313347	QMOGHVOFJOPQHO-HNNXBMFYSA-N	227.436	4.602	0	10	BJAE	
CCCC1(C[C@H](N)CC(CC)CC)CCC1	1988461413	JNHNIPQCTYMYAM-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2csc(C)c2)CC1	1989811828	JCMSGIPASGABDN-JOCQHMNTSA-N	237.412	4.685	0	10	BJAE	
CCCCC[C@](O)(C=C1CCCCC1)CC	1990091042	JNYFYJAVIMTJMF-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
CCCC1(COc2cc(C)ccc2Cl)CC1	1990573588	YPVPAVYVYLYGKN-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)[C@H](C)CCC(C)C	1990904792	XQZWZBKURBHEDX-KGLIPLIRSA-N	227.436	4.568	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)c2cc(C)c(C)s2)CC1	1995709711	GOOHLPUHBIGFEB-IUODEOHRSA-N	249.423	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](N)CC2CCCCCC2)C1	1996248527	WAMCPSONHAGDTE-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)NC[C@H]1CCC[C@@H](C)CC1	1997116781	MZYNOOZBWOQTHZ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](CNCCCC(C)(C)C)CC1	1997214379	JSQGVCXKNUSECH-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)C2CC(C)(C)C2)c1	1998659100	XJWPAIPOWHUHQC-CYBMUJFWSA-N	231.383	4.540	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC2(CCC2)C1	1998696576	QCZQABHAXHIPOG-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CC(C)CNCCCC[C@H]1CCC=CCCC1	1999992396	GREPIPXGAZBXSD-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@H]1CCCC(C)(C)C1	2000052627	WWXUEESFZFVCMC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N(CC(C)C)C[C@H]1CCC[C@H]1C	2000904687	ICGPLGCZCIVKPQ-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
C1=C(CCNC2CCCCCCCC2)CCC1	2003100927	UBZNEHWPFJZQFA-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
N[C@@H]1CCCCCCC[C@H]1CC1CCCCC1	2003118316	REEBMVWBURZMTR-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CCC(F)(F)CC[C@H]1CCCCCCC[C@@H]1O	2003118866	TWNMDPHGAJAXDW-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCCCC[C@](C)(O)CC1CCC2(CC1)CC2	2003193459	YMKMAPHOUGAETL-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)CN(C)C1CCC(C)(CC)CC1	2004363163	OVGGIOUQBKWPPH-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC1(C)CCC[C@@]1(CO)CCC1CCCCC1	2005576966	PKCMWBCLIOIGIG-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCCC[C@@H](CCC)NC1CCC(C)(F)CC1	2005949318	VEJHUUVXCQNNDO-WLYUNCDWSA-N	243.410	4.606	0	10	BJAE	
CCC1CC(C[C@@H](O)C[C@H](CC)C(C)(C)C)C1	2007758042	BLGMSIAEOTYXQO-PFSRBDOWSA-N	240.431	4.636	0	10	BJAE	
N[C@H](CC=C1CCCCC1)c1ccc(Cl)cc1	2007936001	ZYZXCQRFFFENDA-OAHLLOKOSA-N	249.785	4.620	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C)CCC(F)F)cc1	2008582932	SKFWRMYKVJIXKJ-NSHDSACASA-N	241.325	4.656	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)CC[C@@H]1CCCC(C)C	2009408678	VVMCPGXJORPPGX-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@H]2CCCCC2=O)CC1	2010784840	QZIYXLYZSXMDTN-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(N)CCCCCC12CC2	2011275310	QYAYBJZAYFELDW-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC12CCC(CC1)CC2	2012824307	QZFSVIPJXUFCNX-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
CNC[C@@H](CCC(C(C)C)C(C)C)C(C)(C)C	2015347436	PSTKAERUKDBRQU-CQSZACIVSA-N	241.463	4.577	0	10	BJAE	
CC(C)C(CC[C@H](N)C1CCCCC1)C(C)C	2015355827	CLNHZWGRWHAGHW-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@H](N)C1(CC2CC2)CC1	2015755717	VMXYZWUFSMLHNW-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCC1CC(CN[C@@H](C)CCC=C(C)C)C1	2016150652	WUCQHRSQHSEQHV-FHERZECASA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[C@]1(C)C[C@H]1C	2016467180	JRUIBRNCXRVFJH-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(CC1(C(C)(C)C)CCC1)C(C)(C)C	2017114847	QNDHPXDIIPNGHD-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC(C)C1(C[C@H](N)C[C@@H](C)C(C)(C)C)CCC1	2017148380	NMXPUJSDXKVJTP-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(C[C@@]2(C)CC[C@@H](N)C2)CC1	2017732440	BAYNYEFUFUYUPQ-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(CC(=O)CCCC2CC2)CC1	2017776542	QFEGBOBEKNZQGU-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CCC[C@@H]1CC1(C)C	2017789016	XKARCVTXYVUOAY-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@H]1C1CC1	2018132654	VFGYNFVCNXFMHH-HRCADAONSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@]12CCCC[C@H]1C2	2018588858	XWSYFKRZVBZSAW-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
C[C@H](c1cccs1)N(C)[C@H]1C=CCCCCC1	2019124994	WDLOBCXGKDERBV-KGLIPLIRSA-N	249.423	4.630	0	10	BJAE	
CC[C@@](O)(C[C@H](C)C1CCC1)C1CCCCC1	2019782318	WKTAVVSUNFOVBH-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(C[C@H]1CCC=CCCC1)C(C)(C)C	2019852141	IKQVLBGDQOEHJI-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCN[C@H]1[C@H](CCCC(C)C)CCCC1(C)C	2020361871	TZAMAIZAMIBUTA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C(C)C)C(F)F)cc1	2021006607	VYWRVXKYNDISHU-ZDUSSCGKSA-N	241.325	4.512	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)C(CC)(CC)CC	2022686297	GBGFUOFADIYPIX-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@H](CN)CC[C@@H]1CCCC(C)(C)C1	2024096050	UFHHYOKFNCJIIW-LSDHHAIUSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@H](C)[C@H](C)CC	2026165558	CJJCRXRHIQHZQS-JJXSEGSLSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(F)c(F)c2c(C3CCCC3)coc12	2026607814	VXCPMVKGCUKFLW-UHFFFAOYSA-N	236.261	4.677	0	10	BJAE	
CCC(C)(C)C[C@@H](N)Cc1ccccc1C(C)C	2027515291	OLPCUHXBTXQMJV-HNNXBMFYSA-N	247.426	4.506	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(F)c2ccc(N)cc2)C1	2027935508	HNLMKNRJVQEDQP-IVMMDQJWSA-N	249.373	4.670	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1ccc(CC(C)C)cc1	2028231170	CAEPUEVUQKHNCN-IAGOWNOFSA-N	248.410	4.601	0	10	BJAE	
Cc1ccc([C@H](O)[C@H](CC(C)C)C(C)C)cc1C	2028241191	OYPAIJARAWHXEX-SJORKVTESA-N	248.410	4.655	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@H]1CCC[C@H]1C	2032508359	CQANVFNXKLKEGY-CKEIUWERSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@@H]1CCC[C@H]1C	2032513905	KCNIUEKCOFILQX-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H]2CCC(C)(C)C2)cc1	2033398870	BXXXNIXMLIEOIN-CVEARBPZSA-N	246.394	4.670	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@H]1CCCC2(CCCC2)C1	2034371454	QCOGCVBROPNMFG-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1N[C@H]1CCC12CCCCC2	2035496472	QUKBKSZJNNUDMT-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)c1c(C)coc1C	2035535819	YVBUDBJJVQMGLD-HNNXBMFYSA-N	249.398	4.684	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@@H]2C=CCCC2)cc1	2035586626	BUBFDJNHCSWRIO-PBHICJAKSA-N	243.394	4.556	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCC1)C1CCC(C)(C)CC1	2035592222	NIVPFRMPZKZFNQ-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCCC2)CC[C@@H](CC)C1	2035599978	KGHRQLBZBJYTRO-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
c1ccc2c(c1)NC1(CCCCCCCCC1)O2	2035884288	DWTBALVPYQGDSY-UHFFFAOYSA-N	245.366	4.712	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1	2036661380	PHNYRNBFAPNXCJ-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H]1C[C@@H](C[C@H]2C=CCCCC2)CCC1(C)C	2037855998	DNKYZLGFYHEFEI-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2[nH]c(C3CCCCCC3)nc21	2038008504	ZLXWYVKASJPUDB-VXGBXAGGSA-N	246.398	4.848	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](NC)c2ccccc2)CC1	2041379750	NHADITPAGLLJKY-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)C1(C)CC=CC1	2042017939	ZYCFHFVGNJVGBI-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NCCC(C)(C)C1CC1	2043192275	UJURCCXFYZZLSG-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](C2(N)CC(C3CCCC3)C2)C1	2045386360	XDFWLAIADNUYCZ-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C[C@H]1C=CCCC1	2045997083	HUNZNNIBFPUPED-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@H]1CC12CCCC2	2047015312	HWVOQZDLAXKMDX-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@H]1CC12CCCC2)C1CCCCCCC1	2047056692	VOKRMFYHVUHLHF-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCC[C@H](CNCC2(C)CC=CC2)CC1	2047721179	LMIHZBGULLYDHY-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC(C)C1CC([C@H]2C[C@@H](C)c3ccccc3N2)C1	2048633971	MNDMBWJDKQFXBJ-QROZZAMVSA-N	243.394	4.657	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](N)c2ccco2)CC1	2049636800	OYQZWJDIZHCQMY-IIAWOOMASA-N	249.398	4.666	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1NC[C@]1(C)C=CCC1	2049982082	QGFDAFXOMHCCSY-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)C[C@H]2[C@H]3CCC[C@H]32)CCCCCCC1	2052479954	QHMYYTKILDNGMC-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CCC([C@@H](N)C2CC=CC2)CC1	2053664955	QBDAOPOWLNUTEQ-PREGVCBESA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CCC[C@H](CNc2ccc(CF)cc2)C1	2055668775	WSYJYUOVRXZGTK-ZFWWWQNUSA-N	249.373	4.784	0	10	BJAE	
C[C@H]1CC[C@@H](C)[C@@H](C)[C@H]1Nc1ccc(CF)cc1	2055675716	YAUVAYMKZDHTCA-IATRGZMQSA-N	249.373	4.639	0	10	BJAE	
CC1(C)CCC(C)(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2056539759	PMBBDRLERNVCPN-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](N)(CC1CC(C2CCC2)C1)C1CCC1	2056639971	LBIZQDPCDJQWTD-PGEKIEPBSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)[C@@]1(C)C=CCC1	2056652888	IELIPKGWSMJSKP-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CCC1(C)CC1)CNC1CC1	2059181950	XTBXSQRZJREFDD-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@]1(CNCCC)CCC12CCC2	2059254334	YWHRXCVHYLULDO-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2059257812	AMIXFCWDWBUWBI-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)c1c(C)coc1C	2059261917	IFVDOTMHIKIBFY-ZKKXHLJNSA-N	249.398	4.684	0	10	BJAE	
CCC[C@@](N)(C1=CC[C@H](C(C)(C)C)CC1)C1CC1	2061114066	VESPVXFVQRXLAK-SUMWQHHRSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@H](C)C2CCCC2)CC1	2061140902	QTTNDEUMLDHWPO-CKEIUWERSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@H]1CC[C@H](CC)CC1	2061559995	ARPMUADBSKDAHE-BRWVUGGUSA-N	249.442	4.692	0	10	BJAE	
CN[C@H](CC[C@@]12CCC[C@H]1C2)C1(C)CCCCC1	2061571606	LMSGXOJGJGYQOM-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(=O)C[C@]12CCC[C@H]1C2)C1CCCCC1	2061603899	WKSUPDQGOBCAAM-UKPHBRMFSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CC[C@@]23CCC[C@@H]2C3)C1	2061619154	ZCJFZWWUYRKJDW-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)CC1CC(=C2CC2)C1	2061740531	ZUEWAQBSIMUCGI-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)[C@@]1(C)C=CCC1	2062640812	FLOKEISFHVDGQB-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)CC12CCC(CC1)C2	2065334677	GYFTUFHOGIWEGW-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)C2(CC3CC3)CCC2)CCCCC1	2069501859	QULZLHCGHQJCML-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C1(CC2CC2)CCC1	2069515719	ZVKOJLVIONPGTE-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@@H](C)c1ccccc1	2070303458	HNIYCEOHDSUDPH-NVXWUHKLSA-N	245.410	4.644	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1[C@H]2CCCCC[C@H]21	2070400689	XHWJCBZVQWOGLJ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CCCCC12CC2	2072422655	DVKHXVZGXAKJAE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)[C@@H]2CC=CCC2)CC1	2072793700	MPRYVJHUQOOOJN-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCCC1(C[C@H](NC)C2(C3CC3)CCCC2)CC1	2074648736	MBGNSXWNTZSRCE-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)C1CC2(CCCC2)C1	2074896954	SGRAKIBNQGPUSR-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCCN([C@@H]2CCC23CCCCC3)CC1	2075013725	WWRXDGHQLNUJQY-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@H](NC)c1ccc(CC(C)C)cc1	2077190365	QTTDHQSJMSGKTH-KRWDZBQOSA-N	245.410	4.502	0	10	BJAE	
N=C(Nc1ccccc1C1CC1)C1CCCCC1	2077264990	GVHWPFZWNKEGDL-UHFFFAOYSA-N	242.366	4.533	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]2C2CCC2)CC1	2079423623	ICBLIDPWEFRKHB-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC(=O)[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079472447	GWRPDHXIIDEYKT-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CCC1(CC)CC(N[C@H]2C[C@H]2C2CCCCC2)C1	2079532052	SXQOQDFJZRCQTQ-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H]1C[C@@H]1C1CCCC1	2079831036	HTASBPDSHLTBNO-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](c1cc(C)cc(C)c1C)[C@@H](C)CC	2082919007	MOZCKDHPWQKRNE-SUMWQHHRSA-N	247.426	4.699	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)CC[C@H]3CC[C@H]2C3)C1	2082988314	UYYFIHLMUNYONW-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC(=O)CC2CCC3(CC2)CC3)C1	2085001046	MAJYQRXGMOXDNU-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c(C[C@H]2C=CCCC2)c(C)c1	2211934704	CWRKJRFSAUUOKE-HNNXBMFYSA-N	214.352	4.511	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@@H](N)C2CCCCC2)C1	2214766477	YJNVQFBPWDJCME-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@](N)(CC)C1CCCCC1	2215253368	OGWCSOGLMCPGHB-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CC(O)(CC[C@H]2C[C@@H]2CC)C1	2215253806	PDHGXVQAERMLDY-PYBGIAKNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1ccc2sccc2c1	2215311435	LHIVRCJXTPYBRQ-NWDGAFQWSA-N	245.391	4.749	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC1(C)CC2(CCC2)C1	2215460192	DJQDBBPAUGLHOE-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1C[C@H]2CC[C@H]1C2	2218717901	IQXWTSTYQJXPDD-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)[C@H]1CC=CCC1	2218720736	LSRLMLAIZVDICO-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C(CCC[C@H]1CC[C@H]2CCN[C@H]1C2)CCC1CC1	2218721407	RBUVRQBUMUJSMQ-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CCC[C@H]2C[C@H]21	2218728783	VWBMBVWCBWGYAC-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
C(CCCN1CCCC2(CC1)CC2)CCC1CC1	2218731489	KPSXZLHFYJSSAE-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCN[C@H](CC=Cc1ccccc1)[C@H](C)CC	2219071005	MAAUBQRUVGKFOJ-NVXWUHKLSA-N	245.410	4.504	0	10	BJAE	
C[C@@H]1C[C@H]1c1ccc(C(=O)CCCCC2CC2)o1	2220013731	NZOTUTQPMLPVGR-DGCLKSJQSA-N	246.350	4.556	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC1(N)CC(C2CCCCC2)C1	2220872800	DLWJJPCTBZNWOG-XNGJBWTFSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(CC)c(NCC[C@H]2C[C@@H]2CC)c1	2220923561	JXDLEKRWIMKCKP-HOTGVXAUSA-N	245.410	4.660	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC2(C)CC3(CCC3)C2)C1	2220980482	ZWYKXDIXXCNUSG-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)CC(C)(C)C2CC2)CC2(CCC2)C1	2221076184	OQAUNVBACUEFMP-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@@H](CN[C@H](C)C2(C)CCCCC2)CC1	2221619442	QMCPYSRAUGKBSS-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
NCC1(CC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1	2222922339	UTHCORBJNHLWOW-ARFHVFGLSA-N	249.442	4.502	0	10	BJAE	
CC1(NC[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCC1	2222933826	OTQGCBYDJFCLJV-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCC(=O)c1ccc(C2CCC2)cc1	2223683669	LAIIHAQXOBETGQ-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
CCCCC[C@@H](CC1(C)CC(C)C1)NCCC	2246591021	OPOVFJOXGVRVOE-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](C)(N)CC[C@H]1CCC[C@H](C)C1	2246659729	KKNUXKXYNRSRBD-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1cc2ccccc2s1	2246854021	KCUAHFMZVZMITN-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CCC(CC)(CNC(C)C)CC1=CCCCC1	2247525730	QCUOTWKRDLSEQG-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@H]1C)CC(C)(C)C	2248818954	GVPMDIAFRTYMKI-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1cccc(NCCCCCF)c1	2249296641	LDINIOGICQKBLZ-UHFFFAOYSA-N	237.362	4.536	0	10	BJAE	
CCC[C@H](CC)C(=O)CC12CCC(CC1)CC2	2250356862	SRKMQAIUAXIGGN-BBBYJDLNSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)CNc1c(F)ccc(C)c1F	2250393569	YPTSMONVDLXSNU-NSHDSACASA-N	241.325	4.511	0	10	BJAE	
CC(C)CCC[C@H](C)CCNC(C)(C)CCF	2250495781	LOZLZZDCXVMWNB-AWEZNQCLSA-N	245.426	4.567	0	10	BJAE	
CC(C)(C)CC[C@H](N)C1CC(CC(C)(C)C)C1	2251535684	YGVFGMUCBNBYNB-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
CC1CC(C)(CC(=O)C2(C)CCC3(CC3)CC2)C1	2253655510	RFGCTKMMVCNNTR-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2255028055	VKNNWQOXYAWTNX-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCCC12CC2)C1CCC1	2255278069	KLAGRKMSYMCFOV-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC[C@H]1CCCC12CC2)CC1CCC1	2255290483	GKSKBTZYQDMNFE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CC(CC(=O)C[C@@H]2CCCC23CC3)C1	2255332078	IVIXGSQBRJEWKN-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]1Nc1cc(C2CC2)ccc1F	2259125971	JZTYLIJNUNVYOS-HNNXBMFYSA-N	247.357	4.694	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@]23CCCC[C@H]2CC3)C1	2260680197	WFOTYXKCMWEYAI-LTIDMASMSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)c1cccc(C2CCCC2)c1	2260727403	OPULQQSHJSUTOJ-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@@H]1C)C(CC)(CC)CC	2298126679	BSQKVTSTMUTMKG-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H](N)C1CCCCCCC1	2298858100	LYBBUFUZCQJSKF-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCCNc1cc(C(C)C)ccc1C	2300455057	BKVJQFGFUKCOIL-UHFFFAOYSA-N	231.383	4.887	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CCCC[C@@H]1CC	2300680813	IEPUFEPDEJPCNK-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CCC1(CO)CC(C(C)(C)C)C1	2300688975	SUMRSAFDQWXHJJ-UHFFFAOYSA-N	240.431	4.638	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CC(C)=C[C@H](C)C1	2300690322	HQFFYYOKDDJMLD-MAZHCROVSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CC=C(C)CC)CC1	2300899692	QMQVKXSLGDIAPK-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](CC=C(C)CCCC(C)C)[C@@H](C)NC	2300900837	CACTZRAEAOTAKZ-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N(C)[C@H]1CCC[C@@H](C)CC1	2301978224	MTZKPFCGBHIALF-FPCVCCKLSA-N	239.447	4.568	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@@H]1CC(C)(C)[C@@H]1C	2302169181	JXKOCJBWQCLTCK-MGPQQGTHSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CC)N(C)CCCC1=CCCCC1	2302357329	XGFYKHJLFWJFRB-INIZCTEOSA-N	237.431	4.778	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CCC(C)(C)C1)NCC	2302676087	RHMBNDRWSBWYLC-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC)C[C@H]1CC[C@H]1C(C)(C)C	2303465940	RAIWHRFYIUVFAJ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@H]1CCCC[C@@H]1C	2307901212	XVNALJYRTZQSEC-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@H](CC)CCC	2307904413	UFLJYJDBSOKCGQ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]1C1CCCCCC1)C1(C)CCC1	2311537627	RIOVIECRWVKVLY-VNQPRFMTSA-N	249.442	4.514	0	10	BJAE	
CC(=CCN[C@@H]1C[C@@H]1C1CCC1)CCCC(C)C	2316488421	CAOZBJWIFLPRBC-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2316534721	CIQWTHMKDJMMES-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CC(=CC=C1CCNC12CCC2)CCCC(C)C	2316535344	GWBWWKXLGDQEKF-UHFFFAOYSA-N	247.426	4.601	0	10	BJAE	
CC=CC[C@@H](C[C@H]1CCCCC12CC2)NCCC	2316535864	KIBHEGBGTWVVIF-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(=CC=C[C@@H]1CCNC1(C)C)CCCC(C)C	2316537861	SRTVSQXFKUELEM-MRXNPFEDSA-N	249.442	4.703	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1CCCC2(CC2)C1	2316873402	GMVSPUUMPBEGJT-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317113317	MGZGCXHGKJBWMM-LVQVYYBASA-N	249.442	4.523	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@H]1C[C@H]1C(C)C	2317978455	BPJMIDWUNBNCQY-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1[C@H](CCCC2=CCCCC2)CC[C@H]1NC	2318593103	QBKGQRGOSGBMBV-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@@]12CCC[C@@H]1CC2	2318594800	JRLIHAJZSUTYSI-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](NC[C@@H]1CCC(C)=C(C)C1)[C@H]1CC1(C)C	2320230414	HCRAESHQNBPGAA-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CCCCCC2(C)C)CC1	2320237609	LRLNQABQSIDPRK-HZPDHXFCSA-N	249.442	4.824	0	10	BJAE	
CCC1CC(C[C@@H](N)C[C@H]2CCC(C)=C(C)C2)C1	2320394374	OXOGZHYJQKUBMY-XGHPGWEVSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CNc2ccc(F)c(C)c2)CC1	2320413947	VPAZTJHUJIREFM-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CC1(C)CC[C@H](CC=C2CCC[C@@H](CCN)C2)C1	2321636598	KBMXSRXZRFSCAS-HOTGVXAUSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCC[C@H]3CC[C@H]32)C1	2321637779	VDKLBRCRJSFMGD-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2cc(C)ccc2C(C)C)N1	2327787010	QGMZVXBJWSBBMP-PBHICJAKSA-N	245.410	4.712	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)c1ccc(C)o1	36960124	ZIGBLTLTZNBUKN-JSGCOSHPSA-N	237.387	4.598	0	10	BJAE	
CC(C)[C@@H](C)Nc1ccccc1-c1cccs1	37075705	CSSMBSXVHMXNMV-GFCCVEGCSA-N	245.391	4.872	0	10	BJAE	
COc1ccc(Cl)cc1[C@H](C)c1ccccc1	38302859	HYYRWCIIGUKIQC-LLVKDONJSA-N	246.737	4.500	0	10	BJAE	
CCCCC[C@H](O)c1csc2ccccc12	40258687	RUQRKTDACNQJKC-ZDUSSCGKSA-N	234.364	4.515	0	10	BJAE	
CCCC[C@H](CC)Nc1ccccc1OCCC	69372511	PGKQEWHWKUZPFY-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CCC(=O)c1ccccc1	80385412	PTVADKOBWLVGCQ-CABCVRRESA-N	244.378	4.866	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(C)c(F)c2)CC1	86893956	XVBYCVLOHXRDHE-KBPBESRZSA-N	249.373	4.905	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@]1(O)CC1CCCC1	87164273	AURHXBJCLZYYQB-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@@H](O)CCCC2	88872907	IWWNBFUBEKMGML-KRWDZBQOSA-N	246.394	4.693	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](CC(C)C)c1ccccc1	92596163	FFACYZMPGMNIAI-IRXDYDNUSA-N	247.426	4.595	0	10	BJAE	
CCCCc1ccc([C@@H](O)C2(C)CCCC2)cc1	94906759	UFYWZAQHIOMCCF-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
C=C=C(CCCC)c1cccc(Cl)c1	106488976	YIKXISQOBABEPZ-UHFFFAOYSA-N	206.716	4.699	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1ccccc1C	109719258	RJAPSPCKFNMUTK-GDBMZVCRSA-N	233.399	4.601	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@H]1CCCC[C@@H]1CC	122971173	NYZZSZIVCQGWFG-BPUTZDHNSA-N	240.431	4.780	0	10	BJAE	
Cc1cc([C@H](O)CCCC(C)C)ccc1Cl	124288632	RRCMDMJKQBFMRN-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1cc(C)c(C)cc1C	125322330	NMONOHPLXNKEJX-WBVHZDCISA-N	248.410	4.862	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C[C@@H](C)CC	126783150	RAXYTMBHDGTVOD-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](NC2CCC3(CCCC3)CC2)C1	129252235	CMEKCXPHMVZZLG-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CC[C@@H]1CNC(C)C	133607267	IBZZPRJEUVJOGS-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1ccc(C(C)(C)C)c(Cl)c1	147514951	DIUHCJXMRXATBE-UHFFFAOYSA-N	224.775	4.935	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CCC1CCCCC1)NC	162074942	SHGAGHGBVAOTBM-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CC(=O)C1(CC(C)C)CCCC1	165062457	MUAPBTVATCKPBK-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCCCCCC(=O)C1C[C@H](C)C[C@@H](C)C1	168443388	RBZFIUCLKAYXGP-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(-c2cccc(Cl)c2)cc1C	196823711	QFOIWJNTMVUZLV-UHFFFAOYSA-N	216.711	4.624	0	10	BJAE	
CCCN[C@@H]([C@@H]1CCC[C@@H](CC)C1)C(C)(C)C	226997089	GFYIFFIHSYIHPV-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C)[C@H]2C)c(C)c1	226998954	DFGOSCPMCONTSN-XPKDYRNWSA-N	231.383	4.540	0	10	BJAE	
CCN[C@H]([C@H](C)CC)C1(CC(C)C)CCCC1	228807393	YNMJAYQRGQKVFF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@@H](C)CC1CCC1)c1ccc(C)cc1	229681485	QDDNMDSSBSLGFZ-YOEHRIQHSA-N	245.410	4.614	0	10	BJAE	
CCCCCC[C@@H](C)[C@@H]1CNc2ccccc21	232947827	MMVMAHYUVQKNNW-HIFRSBDPSA-N	231.383	4.802	0	10	BJAE	
C[C@H]1CC[C@H](N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	253123713	KCJFEERYDPAGFZ-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1C[C@H]2CC[C@H]1C2	253193886	PFOPSNUWJJSSMK-NPJQDHAYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCC[C@H](C)CC1	300562937	DAZSPEUMLYMQGO-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CCCC(C)(C)C)C1	300884012	OXAHJGXTJBFTGX-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
Cc1cc([C@H](O)CCC(C)(C)C)sc1Cl	300929469	UUSCQUYYEXJAFI-SECBINFHSA-N	246.803	4.570	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(N)CCC1CCCCC1	302238449	BYHZHXHQFYYDSS-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)c1ccc(CC)cc1	308084301	QJWUPPLNFAXQKN-IRXDYDNUSA-N	247.426	4.711	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1ccc(Cl)cc1	308117852	XOWRXRXBPIQSCM-LLVKDONJSA-N	238.758	4.595	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1(CCC)CC1	309259789	CZVIPVKOVIGDIL-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC2(CC)CCC2)C1	310113580	GIGVIXYWRKQEBX-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC1CCC(C[C@]2(N)CCC[C@@H](C)CC2)CC1	310296520	AQGINBUZNXWLSR-LMPOIIKSSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@H]1Nc1ccccc1-c1cccs1	310385269	QIXCSDKCQRLPJW-WCQYABFASA-N	243.375	4.626	0	10	BJAE	
C[C@H]1CC(n2ccc3c(F)cccc32)C[C@H](C)C1	310559968	DVSIQFDCORJTNK-VXGBXAGGSA-N	245.341	4.778	0	10	BJAE	
CCC1CCC(O)(c2ccccc2C(C)C)CC1	310880046	VODVEEVNUGWRKV-UHFFFAOYSA-N	246.394	4.598	0	10	BJAE	
CC(C)(C)CCCNc1nc2ccccc2s1	313462214	PZMXCVCKQJKSOQ-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCCNC[C@]1(CCC(C)(C)C)CC=CCC1	316907972	VAWJAUDIUJFWGO-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@@](C)(CNC(C)C)C[C@@H](C)c1ccccc1	317679361	XKXJTMBALWRZCJ-NVXWUHKLSA-N	247.426	4.595	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1ccc(CC(C)C)cc1	319413801	VLBZQYVSLMQNPD-ZQIUZPCESA-N	248.410	4.601	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@@H](CC)CC1)C1CC1	324519701	KEZNWWBBOLODTO-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
C[C@H](Nc1cc(Cl)ccc1Cl)C1CCC1	379078467	WTHQMPBCSQOPCV-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
C[C@@H](/C=C(\CN)C1CCCCC1)C1CCCCC1	381039603	VPUXSZZPTUJNBI-IQGJIOQQSA-N	249.442	4.668	0	10	BJAE	
Cc1ccc2oc(C(=O)[C@H](C)CC(C)C)cc2c1	381082652	IXOBELHEFRECIB-GFCCVEGCSA-N	244.334	4.606	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H]1CCCC1(C)C	383295349	RRUNXBXOWGRGHM-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCCNCC(C)(C)CCCCCC(C)C	383326885	YPIZLJJHFTUZIV-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCCNCC(C)(C)C[C@H](C)C1CCCCC1	384165857	VEQNNSZIBJPFKW-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
COc1c(C)ccc(N[C@H](C)CC(C)(C)C)c1C	384638483	AKUNOIMDHJEULD-GFCCVEGCSA-N	249.398	4.549	0	10	BJAE	
N[C@H](CCC1=CCCCC1)CC1CCCCC1	384812662	AHOSKGFDXWGSJG-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CCC)NCCC1=CCCCC1	385105728	BWFACPSRDWKVRW-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](CCC2=CCCCC2)NC)C1	385219980	RMRDJZHPRAKXDX-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cscc2C)CC1	387352773	SJWHVMPCVYTSOH-CHWSQXEVSA-N	237.412	4.827	0	10	BJAE	
CC[C@H](C)CCNc1cccc(O[C@H](C)CC)c1	394417790	WECDWAGHZNYHGM-UONOGXRCSA-N	249.398	4.712	0	10	BJAE	
CCC1CCC(O)(C[C@@H](C)c2ccccc2)CC1	395227472	AXNRCLYUXKLLDZ-HPUBIQBYSA-N	246.394	4.512	0	10	BJAE	
CCOc1c(C(F)F)sc2cc(C)ccc12	396238223	JRVGXDNRQVXFBO-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
COc1c(C(F)F)ccc2sc(Cl)cc12	396293309	VOUXLYWBCZWXCV-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CSc1sc2cc(C(F)F)ccc2c1C	396402859	HKQVOPVSAYYKIW-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)C[C@H](C)C1CCC1	398802704	IVPCMXINYSENCK-CZAWJFPGSA-N	237.431	4.537	0	10	BJAE	
FC1(F)CCC[C@@H](CCC2=CCCC2)C1	401165818	RNUKUSYYHNLAQX-LBPRGKRZSA-N	214.299	4.702	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CC=CCC1)NCC	402317418	KJOPFYHTCNQPML-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)CCC(C)(C)C1CC1	406067621	PLYSMJYPGCHFIE-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](O)CC(C)(C)c1ccccc1	686659784	VJOPUNXBQCQXDA-MRXNPFEDSA-N	248.410	4.542	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H]2CCC23CCCC3)C1	693901325	RHKCTNGWJGCVRA-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCC12CCCCC2	694451409	MTYBSSUVAIGAOW-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@@]1(C)CC1(C)C	702211904	AUJPREBWVITEKO-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)(CC1CCCCC1)[C@H]1CC1(C)C	704474167	LSTPAIBVFOSTLV-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC(C)(C)C[C@@H]1C	704948000	APMQEZQPVAGSNM-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)c1cocc1C	705199215	GQDYTPJNRMYDJB-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CCCc1cccc([C@H](N)[C@H](C)CC(C)(C)C)c1	708258761	XSUCGCUPCZSCAU-CZUORRHYSA-N	247.426	4.711	0	10	BJAE	
CCCCC[C@@H](C)NC[C@H](C)CC(C)(C)C	709216430	BYCJMMMDLPSCHM-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC1CCC(C[C@](C)(N)[C@]23CCCC[C@@H]2C3)CC1	709278167	OWIMBYUGWDSUIE-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)C(C(C)C)C(C)C	710792901	HWWTWVOAFQUQCR-ZIAGYGMSSA-N	241.463	4.575	0	10	BJAE	
C[C@@H](C[C@H]1CCc2ccccc2C1=O)C(C)(C)C	711206717	GXWBYSANDLZHMY-GXTWGEPZSA-N	244.378	4.504	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)CC(C)(C)C	713133631	MRJJJLJURPLQFF-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C[C@]1(N)CCC[C@H](C(C)(C)C)CC1	713181866	KAGKATVUFHGMNY-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)[C@H](CC(C)(C)C(C)C)NCC	713216511	LMBSZWZYNKUTBC-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC(C)CNC[C@@H](CC(C)(C)C(C)C)C(C)C	713218752	BAYZJXGEGGYREC-OAHLLOKOSA-N	241.463	4.577	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1csc(Cl)c1	713304957	RHTBOBHBUPUMCV-UHFFFAOYSA-N	244.787	4.657	0	10	BJAE	
c1cc2c(c(-c3ccc(C4CCC4)cc3)c1)NCC2	713464381	SFEKDJZPXREBDT-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
C=C/C=C/CCC[C@@H]1CC2CCC1CC2	713676270	YIUREMUUMWUIEE-BJUWTEMJSA-N	204.357	4.725	0	10	BJAE	
C=C/C=C\CC[C@H](CCCCCC)NCCC	713687890	VVZHOADUQLVYQA-DZFYGRHCSA-N	237.431	4.847	0	10	BJAE	
C=C/C=C/CC[C@@H]1CC(C)(C)CC[C@H]1CNCC	713708931	HTOIAHPEZHWVPV-KJMJWJSPSA-N	249.442	4.561	0	10	BJAE	
C=C/C=C/CCCc1cccc(F)c1Cl	713745396	MYYCINFDVLLJHN-ONEGZZNKSA-N	224.706	4.544	0	10	BJAE	
N[C@H](CCCC1CC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714407768	BXIPJUHACPRGCJ-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1	714411354	MYXIMKWKWPPFCZ-ONGXEEELSA-N	248.757	4.510	0	10	BJAE	
CC/C=C/C[C@@H](C)c1cc(C)cc(C)c1	714523562	RQPYQOUCULAHOB-PSKZRQQASA-N	202.341	4.763	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC[C@@H]2C[C@H]2C2CC2)C1	714856736	NBNMNTVRUWGURT-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
CNCC1(C2CC3(CCC3)C2)CCCCCCC1	717582763	NOVXLQZEFDESBZ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)c1cccc(F)c1	718523551	BJBIZMYTYRMVRJ-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CCC(C)(CC)[C@@H](O)Cc1ccc(C(C)C)cc1	721693756	YNPNHCMUOSKUQA-INIZCTEOSA-N	248.410	4.540	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1cc2ccccc2s1	723125601	AAYKZDAVXSHFSC-JQWIXIFHSA-N	244.359	4.520	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1ccc(C(C)(C)C)cc1	723128088	KULMVDRRYWGVBY-OCCSQVGLSA-N	244.378	4.603	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)c1ccccc1	723597066	IEDPDLZUBXOIQG-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
C1CCCC(CN[C@@H](C2CCCC2)C2CC2)CC1	723959071	FUQQCOSCPCOIQI-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C[C@H]1CCN(CCC2=CCCCC2)C1	1195214468	WVXLHMANZKOQHR-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
C1=C[C@@H]2C[C@H]1C[C@H]2CSCC1CCCCC1	1651781195	WDKOKMGSDXVCCG-ZNMIVQPWSA-N	236.424	4.512	0	10	BJAE	
CCCCCCc1cc(C(F)F)cs1	1889481830	ZFNUCXGYLXGNQJ-UHFFFAOYSA-N	218.312	4.809	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC=C(C)CC	1900844155	ZXCQPQUUUSQQTG-HUUCEWRRSA-N	225.420	4.523	0	10	BJAE	
CC(=CC[C@H](O)C(C)(C)C)CCCC(C)C	1900903939	AKGORADRCOYIKS-AWEZNQCLSA-N	226.404	4.556	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CC1CCCCCC1	1901054538	CNORLOBJUUXFIF-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1Cn1ccc2c(Cl)cccc21	1910789720	FPBVZYDZSKBPTM-NEPJUHHUSA-N	247.769	4.731	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1CC2(CCCC2)C1	1912596315	ICJDTEJRWZEPCD-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(N)CCC2(CCCCC2)C1	1915901871	JBZAPYDGRAFHCB-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@](O)(CCCC1CCC1)c1ccccc1	1919924702	JYIGEJKBOZAALX-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)c1ccc(C(C)C)cc1	1919969150	HELPGXMCAHQUML-PBHICJAKSA-N	248.410	4.844	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@@H]1CCCC[C@@H]1CC	1920196147	GOUSTGIDFSZGRI-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@H]1CCCCC1(C)C	1921416275	IKOHAUILYFAOFJ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCNc1ccc2sccc2c1	1921557906	KXQPWUQNODOHAJ-GFCCVEGCSA-N	245.391	4.749	0	10	BJAE	
CC1(C)CNCC(=C2CCC(C(C)(C)C)CC2)C1	1922781954	IPYXVKAMAKBCKW-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC(C)CC[C@@H](NC[C@H]1C=CCCCC1)C1CC1	1925819974	NPENOHDROMJBOY-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCCCC(C)(C)C(F)(F)F	1930761299	JDXBKHQYAMHLPP-UHFFFAOYSA-N	208.267	4.711	0	10	BJAE	
Clc1cccc(-c2csc3ccccc23)n1	1938027488	LFIWPWMVWBJYBY-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)[C@H](C)CCC(C)C	1942655620	JOBRSCRCCNWPEV-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
Cc1ccsc1C(=O)[C@@]12CCCC[C@H]1CCC2	1944225314	YWIPLNPWKIRKTH-SWLSCSKDSA-N	248.391	4.600	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C(C)(C)C(C)C	1944665586	HIANERBPCOTWQL-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1cccc2sccc12	1945954775	APUDUDHSUGLUOH-IAQYHMDHSA-N	248.391	4.617	0	10	BJAE	
CC[C@H](C[C@@H](O)C[C@H]1C=CCCC1)C(C)(C)C	1947576231	MKXXUUUMMWJCLY-ZNMIVQPWSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](C)N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1947858989	YBFVGZBOBHPPDH-JONQDZQNSA-N	237.431	4.514	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2CCC[C@@H](C)C2)CCC1	1948925250	ZZTIQYNIJBPVCB-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@H]1CCC(C)(C)C1	1949516201	GBRLKXFWBIZYLF-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)CC1CCCC1	1949857075	IREVBOPAIYTMSJ-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC=CCNC[C@@H]1CCCC(C)(C)CC1	1950917621	GRGADAWBIHFAFE-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C1(CC)CCC1	1951234234	DLSMPSMMWAAGDO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C1=CC[C@H](CNc2ccccc2C2CCC2)CC1	1966033254	ZUVLUPHQGPUUSK-AWEZNQCLSA-N	241.378	4.722	0	10	BJAE	
CC(C)CC1(CN(C)CCCC(C)(C)C)CC1	1966524796	ATAPAZXPIMCIED-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
Cc1ccc(NC2C[C@@H]3CCCC[C@H]3C2)c(C)c1	1968255129	ROAQFCLWYLJGIR-GJZGRUSLSA-N	243.394	4.684	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCC2(CCC2)C1	1969300071	BCMKBRVKWUVTNE-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H]2CCC3(CCC3)C2)C1	1969303275	MLLARKSHZKQHSF-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@@H](C)NCC(C)(C)CC(C)C	1971514982	WDHGQOKQWYRJJD-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCCCC12CCC2	1973164340	QZHMEKOMQHWNDE-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C=C=CCCC(=O)c1cc2sc(C)cc2s1	1985445034	WCROLFMTFWDWBP-UHFFFAOYSA-N	248.372	4.575	0	10	BJAE	
CCCCC[C@](O)(CC)CC[C@@H]1CC1(C)C	1990091260	LWDHJMGIPFZOSB-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)CC(C)(C)C	1990097400	CISDUHGYCOCZLX-ZIAGYGMSSA-N	227.436	4.760	0	10	BJAE	
CCCCCCNc1ccc(F)c(Cl)c1F	1993149444	HDQHUWMWJKFIMY-UHFFFAOYSA-N	247.716	4.610	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1CC=CC1	1995203056	IRTBXWVIZOZDEB-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CC1(C)CC(c2nc(C3CCCC3)cs2)C1	1995496616	OGGWSMVJHSTUJV-UHFFFAOYSA-N	235.396	4.704	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)CCC1CC1	1996364452	VORKMCAQOQLGRK-ZDUSSCGKSA-N	231.383	4.548	0	10	BJAE	
CC[C@@](O)(C1CCCCC1)[C@H]1CCC(C)(C)C1	1996553873	QRUGXGKGJVUFOP-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]([C@H]1CC=CCC1)C(C)(CC)CC	1997543066	DJKJRRXDQTYWIX-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]2CC)CC1	1998740653	GUVWRIAKOOYIEJ-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
C=CC=CCC[C@](C)(CCC)CNC(C)(C)C	2000516608	XFCHAONDJCHIMW-INIZCTEOSA-N	237.431	4.703	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1CCC12CCC2)NC	2001845071	RWMYEINCGHMBHO-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)[C@H]1CCC[C@@H](C)C1	2003016811	QQSPGYGWAMYIBR-KBMXLJTQSA-N	237.431	4.667	0	10	BJAE	
CC1(C[C@@H](O)CCC(C)(C)C2CC2)CCCC1	2003178173	ZHAIQXGDAZTFLS-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@H](C)[C@@H](C)C1	2004712170	QQELOVWSNJKXQV-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)C[C@@]1(CC(C)C)CCCN1	2004725702	RVCMXZHIFIGKPA-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCCC[C@@]1(CO)CC1CCCCC1	2005585420	FNJAJFIASRUUCL-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CN)CCCC12CC2	2005602549	SPCFXFYUACJFKC-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CC(C)(C)c1ccccc1CC[C@@H]1C=CCC1	2005987179	TXRLUNJGPKDDMN-CQSZACIVSA-N	228.379	4.883	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CCCC(C)(C)C)[C@@H]1C	2006980317	OMEWUBOZWMTXCI-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1CC(CC)C1)C(C)(CC)CC	2007812727	PNOFAPXJFHZCIZ-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCC(C)(C)CC[C@@H]1N	2009404317	MHZGQMUMWMEVBX-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC=CCCCC1(C(=O)O)CCCCCCC1	2009596722	UYCLWAMQZSZUBL-UHFFFAOYSA-N	238.371	4.548	0	10	BJAE	
CCCC1CC(Nc2c(C)cc(C)cc2C)C1	2009716268	QHKNJDFDZDYMSP-UHFFFAOYSA-N	231.383	4.602	0	10	BJAE	
CCCCCC1CC(N)(CC2(C)CCCC2)C1	2009792439	ZIFHFADXTZVNTN-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC1=CC[C@H](CC)CC1)NCC	2010769775	TZWOUJFBXGFYTR-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCCC12CCC2	2013266565	IAOVNLQJXCCRPT-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)C2(C)CCCC2)C1	2014338252	NSICIUDQHDIOJK-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(N)CCCCC[C@@H]1C(C)C	2015395692	AVCOWHJPVSFXJM-BZUAXINKSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@H](N)C2(CC)CCCC2)CCC1	2015645524	UMDSLQPIORDJTR-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCC1CCC(C[C@](C)(O)[C@@H](C)CC)CC1	2017651374	SNPZOKQMDWWDFE-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(C[C@@H](N)CCC2CCC2)CC1	2017724740	ZDSRZBUTJBOWMF-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@H]1CC[C@H](CC)CC1	2017727829	FAOBZJHKWGZNSO-BZUAXINKSA-N	239.447	4.748	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(C2CC2)cc1	2017745686	CVAMETWWZFRBDU-GFCCVEGCSA-N	231.383	4.801	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H]1[C@H]2CCCC[C@H]21	2018131072	RKZOIJWUWJAUFS-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](N(C)[C@H](C)CC(C)(C)C)C[C@H]1C	2019123038	ANSGVSOVFHYAKH-TUVASFSCSA-N	239.447	4.568	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@@H]1C=CCCCCC1	2019126253	JNFNCLYJWZPPOC-HZPDHXFCSA-N	237.431	4.632	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@@H](C)CC(C)(C)C	2019200050	NKYZSFZBERJOEF-ZNMIVQPWSA-N	239.447	4.712	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H](C)CCC(F)F	2019343323	YQZYIDMEXRDWJS-ZDUSSCGKSA-N	249.389	4.568	0	10	BJAE	
CCCN[C@H]1[C@H](C(CC)CC)CCCC1(C)C	2020365082	VFIJLGKWSRPDRX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1CC(C)(CC)C1	2020968564	LWBRZMDOZFQGDW-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H]1C[C@](C)(F)C1	2021393748	VVBAQZPCINNZCR-UMVBOHGHSA-N	242.378	4.546	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H]1C[C@H]1CCC	2022562285	ZLXHLTAUNHPQLM-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CC(F)(F)CCC[C@@H](O)CCCCCC1CC1	2023302754	WCTKBCIDICEAKR-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC1(C)CCC[C@H](C[C@](C)(N)C2(C)CCC2)C1	2024095871	SQZJSMIWQXDWCO-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@H]1CCCC(C)(C)C1	2024097308	XFJOJPSCURUIOY-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc([C@H](N)CC2=CCCCC2)c1Cl	2024404503	FCZPMPIDGVAHIH-CQSZACIVSA-N	249.785	4.539	0	10	BJAE	
c1cc(NCC2CC3(C2)CC2(CCC2)C3)cs1	2024486913	PWPJZLGGCXJDSF-UHFFFAOYSA-N	247.407	4.521	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc(CC3(C)CC3)cs2)C1	2026543750	DBWOQIKMNGMLJT-NEPJUHHUSA-N	249.423	4.779	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(N)C1=CCCCCC1	2026917395	FXRDLIOEZDSRGE-HYVNUMGLSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1[C@H](C)CC[C@H](C)[C@H]1C	2027792964	JBAOEWHWUAIJPQ-XTWPYSKKSA-N	249.373	4.617	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1[C@@H](C)[C@@H](C)CC[C@H]1C	2027793799	PLIXSRCJHGDDRF-YPHNTLSLSA-N	249.373	4.617	0	10	BJAE	
CCCN[C@H](C=Cc1ccccc1)CCC(C)C	2028584308	UBYZGQQJWPTUBO-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]2CCCC[C@@H]21	2028760839	XIAYXXYZEKSYKZ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC2CCC=CCC2)C1	2028896652	FIQLDJMSZQLQHM-PVAVHDDUSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@@H]2C=CCCC2)CC1	2030347683	YWZICCCXXHMGJO-BZUAXINKSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)CCCNc1ccc(C2(C)CC2)cc1	2032244981	IFKJRACTPUQQSJ-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H]1CCC[C@H]1C	2032476507	SCPXUGIVNWCVPR-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNc1ccc(C(C)(C)C)cc1	2032515153	QKQQXLFENSWAMX-ZIAGYGMSSA-N	245.410	4.832	0	10	BJAE	
O[C@]1(C2=CCCC2)CCCC[C@H]1C1CCCCC1	2033826236	PPYRRHWWZSBJIM-IRXDYDNUSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@H]32)cc1C	2034260028	CQIRIVRWYSRRAS-DJIMGWMZSA-N	243.394	4.684	0	10	BJAE	
CCc1cccc2ccn(C[C@H]3C=CCCC3)c12	2035560082	SXYDWZVRTNNEIM-AWEZNQCLSA-N	239.362	4.560	0	10	BJAE	
CCN[C@H](CCC1CC(C)(C)C1)c1ccccc1	2036176778	BLVLWJPGFSJQER-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H]1C[C@H]2C=C[C@H]1CC2	2036949510	KNAJFNVSWQOQJF-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)C1=CCCCCC1	2037100809	IOOVRWBMRNZNKD-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1ccccc1C1CC1	2037105994	XCNPCGMOMZTSKU-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)C1CC2(CCC2)C1	2037133258	GCOQPLVMJPTMOO-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(CCC(C)=C(C)C)c1ccc(F)cc1	2037171032	AXJWFFRTIITWDC-MRXNPFEDSA-N	249.373	4.526	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)CC1CC2(CCC2)C1	2038086050	RDODQQRAJMJKHT-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@H](NC)c1ccccc1	2038138501	KYXWRXADEBBQFZ-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
C[C@H](CC(=O)CC1C[C@@H]2C[C@H]2C1)C1CCCCC1	2038328390	SXXVSVZMHWMYBT-DAXOMENPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1CCC(C)CC1)[C@@H]1CC=CCC1	2042024291	KHXDCVWULXSXNW-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C1(C)CC=CC1	2042026673	GROFFKVTWMARNW-MRXNPFEDSA-N	247.426	4.601	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)[C@H]2CCCC(C)(C)C2)c1	2045369098	ZFEOVSVJSIPCQC-HOCLYGCPSA-N	246.394	4.553	0	10	BJAE	
CC1(C)C(NC2CC3(CCCCCC3)C2)C1(C)C	2046229373	APVFONSOXIVWIL-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC[C@@]1(C[C@H]2CC23CCCCC3)CCCCCN1	2047017045	SNLWDAOOYCCBNO-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1	2048623311	GDQNPXPCDJVJDT-VQPKISINSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@@]1(CC2(C)CC2)CCCC12CCC2	2048878606	ZVPDZARCXFAKDR-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC(=O)c1cccc([C@H]2[C@H]3CCCCC[C@H]32)c1	2049168847	AKCHKXAWGSUWLS-SCAQPMJSSA-N	242.362	4.573	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](NC[C@@]2(C)C=CCC2)C1	2049978646	HGMUFBYONKNXMV-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@@]1(CC2(C)CC2)CCCCC12CC2	2053359828	SUOXICJPSGYPNE-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@@H]1CCCCC12CC2	2053412750	QPLCSWFNYRSUCD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1C=CCCC1(C)C)[C@H]1CCC[C@@H](C)C1	2055536952	RACBZFOFTRGABO-FXUDXRNXSA-N	249.442	4.536	0	10	BJAE	
CCc1cccc(C(=O)[C@H]2CCC[C@@H]2C(C)C)c1	2056451280	NTSVOGOSRPLSSQ-CVEARBPZSA-N	244.378	4.504	0	10	BJAE	
C[C@@H](C1CCC1)[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2061115516	ICNALICDDSJEOO-APHBMKBZSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)CCC2CCCCC2)CC1	2061151694	UPYRXSNLXGHLAV-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
O=C(CC1CCCCC1)CC1C[C@@H]2CCC[C@H]2C1	2063525614	XBADMXCANWPYRC-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCC12CCCC1CCC2	2063900958	SUYJUGKCYBOHPF-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CC2(C1)CC21CCC1	2064126210	CWADFMFAONSKRS-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H](CCC12CCC(CC1)C2)C1CCCC1	2065338268	GABRXUGNPFCMMK-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C[C@H]1CC12CCC2	2069196043	FGNVZZQWETYGSW-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@H]2C[C@H]3CC[C@H]2C3)CCC1	2069339424	IYOVZVRNMLTJGZ-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C1(CC2CC2)CC1	2069517612	NYSCDBZFLPJCCE-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)c1ccc(C2CCC2)cc1	2072094119	HPDWKWJQFTUIKN-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)CC[C@H]2C[C@@H]2C)cc1	2072095041	LHUOEKWXPMKLCF-MGBSGCIJSA-N	245.410	4.636	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1CC2(C1)CC21CC1	2072232412	AAWLJMMRLRIATI-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(C[C@]2(N)C[C@H]3CCCC[C@@H]32)CC1	2072806407	LQUNWBIJDQUPEX-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@@]12CCCC[C@H]1C2)C1CCCCC1	2074023252	BHDUEDGWXAYEEQ-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@@]12CCCC[C@@H]1C2	2074030392	SWNOGPJZDOXOSD-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC)([C@@H]2C=CCCCC2)C1	2075365158	LNPHXZHIIKFACR-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C[C@H]2C=C[C@H]1CC2)C(C)(C)C	2075813052	BJKFUAHFAOEQIT-JKQORVJESA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2CC23CCCCC3)C1=O	2076450053	KFERYIZZJCUOHE-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccccc2C2CC2)[C@@H]1C	2077263873	FVSCILIQXIPVPJ-XJKCOSOUSA-N	243.394	4.801	0	10	BJAE	
CCN[C@H](C[C@H]1CCC=CCCC1)[C@H]1C[C@@H]1CC	2079219176	AOBYTGUUDPAYAY-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC(=O)[C@H]2C[C@H]2C2CCCCCC2)CC1	2079472448	GWRPDHXIIDEYKT-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
c1ccc(OC[C@H]2C[C@@H]2C2CCCCCC2)cc1	2079813725	LTGFQUCASSXCOC-NVXWUHKLSA-N	244.378	4.672	0	10	BJAE	
CCc1cc(F)ccc1NCC1(C)CC(C)(C)C1	2081957508	OWMIPUYAOZQFBZ-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
CNC[C@@]1(C[C@@H]2CCCC(C)(C)C2)CC=CCC1	2082981394	CSWFWEVUQVLRTB-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCC1CC(C[C@H](N)C2=CC[C@H](C(C)C)CC2)C1	2084999239	WDODKGGHHWTYRX-NDTCATRNSA-N	249.442	4.523	0	10	BJAE	
CCc1coc2ccc(Oc3ccccc3)cc12	2086598855	KASUXYXFHHEKAJ-UHFFFAOYSA-N	238.286	4.788	0	10	BJAE	
C[C@H]1CCC[C@H](C/C=C/c2ccccc2)C1	2210661543	AQRAQJNWWMQUEG-CAQACHJTSA-N	214.352	4.916	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213285419	QKOGURKUTSFBQZ-QXSJWSMHSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CCCC(=O)[C@H]1CCCCCCC1CC1	2213577662	DRCJJXUFFYQAEN-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@@]1(C)CC=C(C)CC1	2215823182	FUYZZJQNXMAZFK-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCC[C@H](C(C)(C)C)C1	2216255045	BOUFWTSRADBVPA-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)(CC)[C@H](CCCCC(F)F)NC	2216427155	GNVJSIQSOYOPKS-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C1C[C@H]2CCC[C@H](C1)C2	2218345572	GLWDNQMYLLETCN-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CC1C[C@H]2CCC[C@H](C1)C2	2218357289	QKLFDLQRESUBTR-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
CC[C@@]1(CC2(C)CC3(CCC3)C2)CCCCCN1	2221013874	OFOLLLKGFTYVJA-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc([C@H](N)CCC2(C)CC(C)(C)C2)cc1	2221032702	KYRVJMYXSARSHE-OAHLLOKOSA-N	245.410	4.601	0	10	BJAE	
CCC1CCC(N(C)C[C@@]2(C)CC=CCC2)CC1	2221601272	MIBSKUUMGCBNFE-JCYILVPMSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)N1	2222950599	YDHDCCPRAPAQLE-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
C(CCCC1CC1)CCCC1(CNC2CC2)CC1	2223130135	JMSHWPZTGIVZHW-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@H](C)c1ccc(C)cc1	2223970117	VGHFKYXWNGTVKB-GDBMZVCRSA-N	247.426	4.642	0	10	BJAE	
CCC[C@@H](CN)CCC[C@@H]1CCCCC12CC2	2246636142	ZSHLJDAEBTXLPU-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CCCN(CC[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2246661076	VUDJUINHTICBFG-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCCC(C)(C)C(=O)CC[C@H]1CCC[C@H](C)C1	2246662561	HAPPPASUWQRCRF-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@](C)(N)CCCC[C@H]1C[C@@H]1C	2247173884	DSURXSFZZRDRHQ-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CC1(C)CCCC1	2247175138	YWRYKOKMCWKFBY-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C(=O)CCCC[C@@H]2C[C@@H]2C)CCC1	2247175677	KOEMXTQFWIADPX-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@]1(C)CC1(C)C	2248813296	DJSAQEDLIATGRQ-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1CC=CCC1	2248813387	DWOOHWYVCDHTFV-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC(C)CC[C@](C)(N)CCCCC[C@@H]1C[C@@H]1C	2248879956	PLXMMTVCVURNNI-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)C1=CCC(C)(C)CC1	2250366290	KTEAPQLRSBIKRC-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)CNC[C@H]1CCC[C@H](C)CC1	2250381125	LCVOBSKWMXHKSJ-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C[C@]1(C)CCCN1	2250483176	YMUQWFWZBDFDKG-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC1CC(NCC[C@H](C)CCCC(C)C)C1	2250527138	ICXRBCIDKWFPJS-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@H]1NCC[C@H]1C	2250530577	USNDUGPYHBRGKJ-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
NCC1CCC(CC[C@@H]2CCCCC23CC3)CC1	2253887738	ZERFIRHGWBYFTJ-GPANFISMSA-N	249.442	4.502	0	10	BJAE	
CCCC1([C@@H](CC2=CCCCC2)NCC)CCC1	2255144631	XBAXAJROTBVEMQ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(CC[C@H]2CCCC23CC3)C1	2255256613	ACXAIQNPMHPTOW-BZUAXINKSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C1CC2(CCC2)C1	2257315207	JXMKHUDYXGVREV-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C1=CCCC(N[C@@H]2CCCC3(CCCC3)C2)CC1	2257915517	BRHNSPNYSPTUJC-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
CCCc1ccc([C@@H](NC)[C@H](CC)CCC)cc1	2259444016	XMBBPOKIHISMRI-WBVHZDCISA-N	247.426	4.726	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@@]23CCC[C@@H]2CC3)CC1	2260499996	HXZICYSSSVKOLM-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@H](N)C[C@]23CCCC[C@H]2CC3)CCCCC1	2260658136	NCFWCIFOZZEWEO-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@@H](C[C@@]12CCC[C@@H]1CC2)NC	2298706884	ISIZKWGHJCQYIH-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC1CC1)Oc1ccccc1C(C)(C)C	2298908216	NFLGRYFERJVRRM-LBPRGKRZSA-N	232.367	4.552	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@H]1CC1(C)C	2300675507	FXSMFBKBWHVGJA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCNc1cc(C2CC2)ccc1Cl	2300695810	WFVYHSPZEXYVRC-UHFFFAOYSA-N	249.785	4.986	0	10	BJAE	
CC=CC[C@@H](NCC)C1CCC(CCC)CC1	2300900770	BFOXBZXFBKCQMO-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](C)(CNC(C)C)C[C@@H]1CCC(C)(C)C1	2302711302	XVQGRXGGGSCZGF-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1C(C)=CCC[C@H]1C	2307845690	RSCUDOBNEADCHD-YCPHGPKFSA-N	236.399	4.764	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC)CCCC[C@H]1C	2307894304	QWKCVPGEQGNREW-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@]1(C)C=CCC1	2307895558	QQOPEIIDWXYGJW-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1(CC2CCC2)CC1	2307896790	XNXTVBNQLWEPQR-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@@H]2C[C@@H]21)C(C)=C(C)C	2311007576	VMBKTEPYVOOCOZ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCC1	2311518711	SOWLOXKDMILRBQ-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@H]1C[C@@H]1C1CCCCC1	2311525489	SWHIKHAQDNDTTF-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2311525669	AWXTTWJDOWNZCH-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H]1C[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2312823591	RYJUIIRBEBWVDF-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1cnccc1C(C)C	2313561997	KNZSBUHHNIAGCT-AWEZNQCLSA-N	248.414	4.832	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C1(C2CCC2)CC1	2316875988	ROIMNKDOEHRQHZ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCCCCC1)[C@H]1CC12CC2	2316886865	YNJAYLOOMNRDLC-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@@H]1[C@@H](C)C[C@H]1C	2316992108	HNFKFUOPZPNIHC-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1C[C@H]1C1CCC1	2318565189	IJNHJZGEEYUQQY-JKSUJKDBSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)CCCC2=CCCCC2)C1	2318592727	MAICOQLLYIOWKI-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)[C@@H]2CC23CCCCC3)C1	2319121058	JMJYDVSGUQOJQX-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CCC(C)(CC)C(=O)Cc1ccccc1C1CC1	2319157247	IZYUYQFGHSJOGY-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCCCCC[C@H](N)c1cc(F)ccc1C1CC1	2319183194	SJYVERLPZJHHJF-INIZCTEOSA-N	249.373	4.673	0	10	BJAE	
CCCC1CC([C@H](N)C[C@H]2CCC(C)=C(C)C2)C1	2320424216	QLYBLONVBYQQKX-ODZFXCKXSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](NC)[C@]1(C)CC=C(C)CC1	2320435342	XMQSVZRJHHBGDC-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
NC1([C@H](CC2CC2)C2CC2)CCCCCCCC1	2320785294	VRDZULLLOSXSHU-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC12CC(C(=O)C3(C(C)C)CCC3)(C1)C2	2321633331	JXLOWZITZITJOE-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@](O)(CC)c1cc(C)ccc1C(C)C	2327703808	NODYNEBBNVVAOP-QGZVFWFLSA-N	248.410	4.906	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CCC[C@@H]2C)c1F	2327775860	FVZWYZIOBJLRSX-STQMWFEESA-N	249.373	4.797	0	10	BJAE	
CCCC(CCC)Nc1cc(C)ccc1C	20553458	FKFSBADJSUYACF-UHFFFAOYSA-N	219.372	4.684	0	10	BJAE	
C/C=C(\CCCC)c1cc2ccccc2[nH]1	38844909	HMGJEKNEONSHBJ-UUILKARUSA-N	213.324	4.761	0	10	BJAE	
CCCCC[C@@H](N)c1ccc(Cl)cc1Cl	40933808	YUELQTFUJYFQIO-GFCCVEGCSA-N	246.181	4.574	0	10	BJAE	
CCCCCC[C@@](C)(O)c1cccc(Cl)c1	83503073	IJUFWENZYAQHAR-CQSZACIVSA-N	240.774	4.518	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@H]1CCC[C@H](C)CC1	86879746	XGCXITSNLIZRRX-BPUTZDHNSA-N	245.410	4.614	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)c2cccc(C)c2C)C1	87988514	KEMIJUHIGGRELU-UXLLHSPISA-N	245.410	4.520	0	10	BJAE	
Cc1cc([C@H](C)N[C@H]2CCCCC2(C)C)c(C)o1	94279213	ISCLIHZFAYVLBD-WFASDCNBSA-N	249.398	4.516	0	10	BJAE	
CCSc1ccccc1N[C@@H]1CCCC1(C)C	94307489	NKWUNLLMQYFOCT-CQSZACIVSA-N	249.423	4.789	0	10	BJAE	
CCC(CC)C1(O)CCC(c2ccccc2)CC1	94676109	BKNCTEXLAPLSER-UHFFFAOYSA-N	246.394	4.512	0	10	BJAE	
C/C=C\[C@@H](C)Cc1cc(Cl)cc(Cl)c1	107500598	CDDAGCVBKMRPBI-ZBJFTSOASA-N	229.150	4.748	0	10	BJAE	
CC/C=C\C[C@H](CC)c1ccc(OC)cc1	107570899	SNKAYKADPNLOKC-FWWRYZNZSA-N	218.340	4.545	0	10	BJAE	
CCCC[C@@H](CC)C[C@](N)(CC)c1ccccc1	109706337	VOGJALQQJBFLTN-NVXWUHKLSA-N	247.426	4.857	0	10	BJAE	
CCCCCC[C@@](N)(CCC)c1ccccc1	110446387	IFDHWBXADONPIM-INIZCTEOSA-N	233.399	4.611	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)c1coc2ccccc12	122885784	UUTXTYKNTGGYTG-IUODEOHRSA-N	245.366	4.520	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Oc1cc(C)ccc1C	130383425	UTPIOPNTFWNSOG-LSDHHAIUSA-N	232.367	4.651	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCC(C)(C)C[C@H]2C)c1	155851682	XRIMDGRSXJXYRR-TZMCWYRMSA-N	249.373	4.761	0	10	BJAE	
CC(C)CC1(C(=O)c2ccsc2)CCCC1	168428794	CCYKIANIFZUKCP-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
C[C@H](Nc1ccsc1Cl)c1cccs1	188757201	WXKDAEFWQHOVLW-ZETCQYMHSA-N	243.784	4.636	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@@H]2CC[C@@H](C)C2)cc1	227192943	SEYNTMWUGLFFLZ-CKEIUWERSA-N	245.410	4.649	0	10	BJAE	
CC(C)CC1([C@H](O)CC2CCCC2)CCCC1	229296517	KZRXFUQWGHNMRC-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC1CC1)Nc1cc(Cl)cc(Cl)c1	229669043	NMQBUWBKKVTKLI-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
CCCC[C@H](NCCC)C1=CCCCCCC1	232995321	MBFWENBMTJWHRB-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CCCC[C@H](NCC(C)(C)CC)c1ccccc1	233011684	MPFJWUDWEPUFSV-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CNc2ccc(Cl)cc21	233334483	LVZKMAGNWMADRH-WDEREUQCSA-N	237.774	4.675	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C1=CCCCCCC1	300132513	GHZACKHAHZYBMO-HOCLYGCPSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](NC)C2=CCCCCC2)C1	300132526	GIZYNELIDZCKTO-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCC1(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1	300596090	QDZKPIXDYISNFE-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCCC(C)(C)C)C1	300882861	OSOHZGRKYNHLQH-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@]1(CC2CCCCCCC2)CCCN1	305946107	SQVRSRFJXWRKTG-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCOc1c(Cl)sc2cc(Cl)ccc12	306921015	OVTPTWPWAQSVHR-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCOc1sc2ccc(Cl)cc2c1Cl	307205366	HFCUOWVBGJSKOS-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCc1cccc([C@H](NC)[C@H](CC)CC(C)C)c1	308078950	YDBOCWGMOOHOFS-NVXWUHKLSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C(C(C)C)C(C)C	310188722	XFLDHKANXNUHPB-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](NC[C@@H](C)C(C)(C)C)c1cccc(C)c1	310965830	UWHJHZKYMKZQQH-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
CC(C)C[C@@]1(CNC(C)(C)C)CCC[C@H](C)C1	317939428	NIDPQOIOYJSOKI-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H](C)[C@@H](C)CC	319534793	BJFHCFXVCHPSHD-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](CC)CCCC/C=C\c1ccccc1	324225550	ZOARYKVFTCNPTI-UEOUDEGLSA-N	245.410	4.648	0	10	BJAE	
CCCNC/C(=C/C1CCCCCCC1)CC	379605455	IPRVPDVUQDZCTH-FYWRMAATSA-N	237.431	4.683	0	10	BJAE	
CCCC1(N[C@@H]2CC[C@@H](C)[C@H](C)C2)CCCC1	382298952	OZWLCHAVYULWSO-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H]1CCC[C@H](C)C1	383207470	BHJBBOOBTDTYMP-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCCc1ccccc1[C@](C)(O)CCC(C)(C)C	384399001	CCTPPYZSTPWMNJ-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](O)CCC1=CCCCC1	385015467	YVHGHFIREALFFA-HNNXBMFYSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2CCC[C@H]2C)n1	385087338	XKNLWFYSVRXPJL-AXFHLTTASA-N	223.385	4.560	0	10	BJAE	
CNC[C@H]1CCCC[C@H]1CCCCCC(C)C	394829907	TUWPQRQBZKJQEZ-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCc1csc2cc(SC)cc(CC)c12	396177382	LNIYARCBDMTESP-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1c(C(F)F)ccc2c(F)csc12	396219280	RHFMGPUAVBUSJX-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
COc1ccc2sc(C(F)F)c(Cl)c2c1	396293461	VSGXQINWRRLALZ-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC[C@@H](NC(C)(C)CC(C)(C)C)[C@@H]1CC1(C)C	397671421	JERLNLQBCQWLDH-QWHCGFSZSA-N	239.447	4.616	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CC2	402230574	YJTOJDVOSNSZBI-OFQRWUPVSA-N	248.410	4.764	0	10	BJAE	
CCc1cccc(C)c1NCC1(C(C)C)CCC1	687269415	UWQZCMJYYWFQEG-UHFFFAOYSA-N	245.410	4.796	0	10	BJAE	
CCC1([C@H](O)c2cccc(C(C)C)c2)CCCC1	688971473	PXWOBMAVVUHWMX-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1ccc2sccc2c1	691785421	JIMMGPDLVYHLNM-ZDUSSCGKSA-N	247.407	4.727	0	10	BJAE	
CC(C)CC(=O)[C@H]1CCC[C@H](C(C)(C)C)CC1	695058796	BHQFBMOVPHFESX-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](CC1CC1)NC1CCC(C2CCC2)CC1	696075248	BWAABCNIHYWVKU-CGZBRXJRSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](CCC(C)(C)CC)NC)C1	696802563	MEHGAARZHSZTCS-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@]1(CCC=C(C)C)CCCC[C@@H]1C	698031067	BKLNNVBDDHBDMC-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C(C)(CC)CC	701118257	KFGFXOXJHCDNCC-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C(C)(CC)CC	701153757	ITTDLVTXZLTBEW-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1(c2ccccc2)CC1	703940693	VLEMQASHNZFRDW-AWEZNQCLSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)C[C@@H](C)CC(C)(C)C	709107523	QQOYJJPOWCEUDZ-KFWWJZLASA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(OC[C@@H](C)CC(C)(C)C)c1C	709116431	WCLDGIWVNUPBPH-LBPRGKRZSA-N	234.383	4.755	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@H](C)C(C)C	709671071	GICAJXIVFZAGLO-AWEZNQCLSA-N	247.426	4.824	0	10	BJAE	
CC[C@@H](CC(=O)c1ccc(C)cc1)C(C)(C)C	711100465	ZEEWHMBQSNHJTD-AWEZNQCLSA-N	232.367	4.640	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C[C@H](CC)C(C)(C)C	711105499	NLPXCOUPTIDKRM-XQQFMLRXSA-N	226.404	4.700	0	10	BJAE	
CC[C@H](C[C@H](O)CC(C)(C)C(C)C)C(C)(C)C	713128019	NMVHJWBEKSNASD-KGLIPLIRSA-N	242.447	4.882	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H]1CC[C@@H](CC)C1	713261919	AFIGOSONBYSOFO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CCC(C)(F)F	713915609	OFQCQOOJSLWBOJ-LLVKDONJSA-N	234.330	4.597	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cc(C)c(C)s1	718711084	PQZGCPNVZQGUBC-UHFFFAOYSA-N	236.380	4.684	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC1CCCCC1	719205341	WIKCWKYANYIKMN-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC(C[C@@H](O)CCCC2CC2)CC1	720161555	REWLHMNUWIJZIM-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCCC=C(C)C	720919396	NFIIAIKJYSATNW-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](C)[C@H](C[C@@H]1C[C@H]1CC)NCCC	723071890	UXTVNYBQDOAUCX-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCSc1ccc(Cl)cc1	1613258051	WSPVQVHOIXAWJF-ONEGZZNKSA-N	224.756	4.564	0	10	BJAE	
CC(C)=CC/C=C(/C)[C@H]1CC(C)(C)CO[C@H]1C	1616162490	SJQNVWHNHXDMMZ-PONMJGQJSA-N	236.399	4.740	0	10	BJAE	
C1CC(CCCN2CCCC[C@@H]2CC2CCC2)C1	1643914589	BVAZNMQBZQXEIY-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNCCC1CCCCC1	1648781772	BHASLZALMAAGFL-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CN1CCCC[C@H]1CCC(C)C	1652814536	FGZUUIIUKFYDEE-INIZCTEOSA-N	239.447	4.713	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1CCCCCC1	1662492099	IOKYLLGDCLAXSV-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(F)c(C[C@H]2C=CCCC2)c1Cl	1899585061	YSGLSZHXXCBXLS-NSHDSACASA-N	238.733	4.686	0	10	BJAE	
CCc1cscc1NCCCC[C@H]1C[C@@H]1C	1902380620	DUEZMWUOEGVBEU-AAEUAGOBSA-N	237.412	4.549	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@]1(C)CC=CCC1	1905313022	WTGMLRSOAMGMCL-ZFWWWQNUSA-N	222.372	4.518	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CCC)[C@H](C)CCC	1910741330	WIDAULLOEXLVAJ-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H]1CCC[C@@H](CC)C1	1912110446	DISXLCYOGGMZFK-ZACQAIPSSA-N	249.442	4.703	0	10	BJAE	
Cc1c(Cl)cccc1CCC1CC=CC1	1913218256	ZLNZGXIYHVWICH-UHFFFAOYSA-N	220.743	4.547	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)CCC2(CCCCC2)C1	1915907914	JWNZNSLSJMZRFN-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)c1ccc(C)cc1C	1919919402	GSHMQILSKSLVTP-KRWDZBQOSA-N	248.410	4.727	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(N)c1ccc(C(C)C)cc1	1920440819	PWRMSHFTINBRHN-RHSMWYFYSA-N	247.426	4.810	0	10	BJAE	
C[C@H](C[C@@](C)(CO)C1CCCCC1)C(C)(C)C	1923885815	CPCYTBCFSDKTNP-CJNGLKHVSA-N	240.431	4.638	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CC(CC)CC	1926179462	XZTVCOMNLYURCO-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](CCC(CC)CC)NCCC	1939112571	ROOOIUFEQYXBFR-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)C(=O)[C@@H]1CCCC(C)(C)CC1	1939901035	RXMHLGVZEDVPMM-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)CCCC1CCC1	1941466698	VKWPJEVAMHOPKR-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@](O)(CCCCCC2CC2)C[C@H]1C	1941579372	NCWYALDNMCLPLH-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CC[C@H]2C[C@@H]2CC1	1941878838	STBCFZVYFICJLG-GJZGRUSLSA-N	234.383	4.518	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2CCC[C@H]2C)CC1	1944845724	JUWKCPWZBWPGNR-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H]1CCC(C)(C)C1	1945581322	FEYPMFFEPSPUPW-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@]1(O)CCCCCCC1(F)F	1947291036	ZMHIFMJIBOMWFJ-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1C=CCCC1	1947561280	GXYVOPVRVDIBAN-CQSZACIVSA-N	230.351	4.545	0	10	BJAE	
CCCCC[C@@H](CCC(F)(F)CC)NCCC	1947993078	KLXXMOQBDWCQGA-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
CCCC[C@H](CC)CC1(CO)CC(C)(CC)C1	1948412261	XOHQIYMDLIGYEB-FHERZECASA-N	240.431	4.782	0	10	BJAE	
CCCCCC[C@@](C)(N)CC(C)(C)C(C)(F)F	1949015470	UIDXTBKVHRHVLW-CYBMUJFWSA-N	249.389	4.746	0	10	BJAE	
CCC[C@@](N)(CCC[C@@H]1CC1(C)C)C1CCC1	1949053195	FTIHZRITUAJQRE-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H]1c2ccccc2NC[C@@H]1C	1949094394	OAJVIMPQAAVTBH-WFASDCNBSA-N	231.383	4.658	0	10	BJAE	
CCC[C@@H](CNC(C)(C)C)[C@H]1CCC(C)(C)C1	1949518970	NJSOPJXPOAEOKG-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1CCCCC1)C1(CC)CCC1	1951234063	BINLFMIAENRLAS-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN2CCCC23CCCC3)C1	1963124324	WVQUXSDSAMYSSZ-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCCCCCN1CCCC[C@H]1c1ccc(C)o1	1964148143	DDADWVUBSBSTIA-HNNXBMFYSA-N	249.398	4.695	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@H]2CC(C)C)c(C)c1	1968739647	UJBBPNQQGXOEMK-HOCLYGCPSA-N	231.383	4.540	0	10	BJAE	
CC1(C)CCC[C@@H](CN2CCCCC23CCC3)C1	1969942114	MNTBKMGOHCPFFF-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@H]1CCCC2(CCC2)C1	1970498319	VPIGBHURMMQPOX-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)c1csc(-c2cc(C)cc(C)c2)n1	1970821853	KGINXBYBFMJGNE-GFCCVEGCSA-N	245.391	4.940	0	10	BJAE	
CCCC[C@@H](C)N(C)CC1CC(C(C)(C)C)C1	1971405770	KTAONIGDCMAJBK-WLYUNCDWSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H]1C1CCCC1)C1CCCCC1	1973328396	YFOIPOZMPCXZJD-YESZJQIVSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cc(C(F)F)cs1	1977078796	NUCUVLQPRJKPAG-KCJUWKMLSA-N	248.338	4.545	0	10	BJAE	
CCN[C@H](c1cccs1)C(CC)(CC)CC	1978562134	BZHVPTVQNKGRCD-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1cc(C)sc1C	1985610217	ZCKHIKIZYZCXJY-CYBMUJFWSA-N	239.428	4.581	0	10	BJAE	
CCCC(CCC)C(=O)c1cc(C)c(C)s1	1989974816	YIIMVUVMIHEQCY-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CCCCCC[C@H](O)CCCCC(C)(F)F	1993579359	AFGUPMZBOMUXKL-LBPRGKRZSA-N	236.346	4.533	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H]1CC[C@H](C)C1)NC	1996247393	ITTCOLFCVKIKHD-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(c2csc(-c3ccccc3)n2)C1	1998600932	NAANHCKWDPCCBU-UHFFFAOYSA-N	243.375	4.714	0	10	BJAE	
CCCC[C@@H](CC)C(=O)[C@H]1CCCC(C)(C)C1	2000103955	BJEXJVLPBINKCC-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@H](NCCC)C1(CCC)CCC1	2000388595	VZKSBVSFELKKMV-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCC[C@](C)(CC[C@@H]1CC1(C)C)CNC(C)C	2000522702	ICPLJBHNINLTQJ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@@H]1C=CCCC1	2000523714	RNRDZPRHUMAGFF-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCCN(CCCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2000903506	RQFRMIIGXAXUTI-ZSHCYNCHSA-N	239.447	4.713	0	10	BJAE	
C[C@H](CC(=O)CC1(CF)CCC1)CC(C)(C)C	2001149072	ZLIWPJXPIQQAMS-GFCCVEGCSA-N	242.378	4.548	0	10	BJAE	
CCCC(N)(CCC)CC1[C@H]2CCCCC[C@H]12	2002210586	CYULOFARUVRFLF-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
Cc1ccccc1[C@H](N)CCCCC(C)(C)C	2003645724	JQDATADJBASSTH-OAHLLOKOSA-N	233.399	4.601	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCCCC12CC2	2005543868	AIMNJYCSDPEQIJ-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)C[C@@H](N)[C@@H]1CCCCC12CCC2	2005591423	FVEXZCBCBFYMPN-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC1(C(=O)[C@H]2CCC[C@@H]2C)CCCC1	2006720946	FJPSRXJJBDYANM-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@]1(C=C2CCCCC2)CCCCCN1	2007933585	BIDZWANUPOHIDC-MRXNPFEDSA-N	235.415	4.579	0	10	BJAE	
CCC1(CC)CC(O)(C[C@H]2CCC[C@H](C)C2)C1	2009298238	GTYFCHPBLSBLGX-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H](N)[C@@H](CCC2CCCCC2)CC1	2009417346	ASTLEPBKLCEJIF-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(N)CCC1(C)CC1	2009537139	VSIKRGRNFQBCHY-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCCC(=O)C1CCC(C(C)C)CC1	2009566376	CZGWGFFBQMABJW-SNAWJCMRSA-N	236.399	4.764	0	10	BJAE	
C/C=C/CCCN[C@H]1CCC[C@H](CCC)CC1	2009598807	RZRWQQYUHRHVJS-TVKHYIBRSA-N	237.431	4.681	0	10	BJAE	
CCCCC1CC(O)(C[C@H](CC)CCCC)C1	2009713681	DNJGTJFHZKDQGJ-QQFBHYJXSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)c2sc(C)cc2C)CC1	2010735218	BQUIDJQTPRAARH-JSGCOSHPSA-N	249.423	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(F)c(F)c1	2013264366	MNPQRGOTYQNFLB-LLVKDONJSA-N	241.325	4.592	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1CCC1(C)C	2014845369	FBPONTVMHCSKJO-ZWXLGZMVSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(CC[C@H]1CCCC[C@@H](O)C1)C(C)C	2015361160	QBQGFTNGZJNGGS-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CCC1(CC(=O)[C@H]2C(C)=CCC[C@@H]2C)CCC1	2015584200	FLFRVIZKEKFHBT-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
CCCC1CCC(C[C@H](O)[C@@H](C)C(C)C)CC1	2017650092	CUCHZTNBWNISQT-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(C[C@@H](N)C(CC)CC)CC1	2017722815	IASXXTYGZHAUDG-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@H]2CC[C@H](C)CC2)C1	2017775617	DTYPJRCLEJKNCC-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)N(CC)Cc1ccc2sccc2c1	2019411561	STTWFXNLHRRZHH-GFCCVEGCSA-N	247.407	4.522	0	10	BJAE	
CCN(CCC(C)(C)CC)C1CCCCCC1	2020508762	XJXHBLHLWBBNPS-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1NC1CCCCCCCC1	2022437793	WWHVLARYPWTSNE-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CCC(=O)CC1CCCCC1	2022554583	PMPOKYGTUGLJQL-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)c1ccc(NCC=C2CCC2)cc1	2023254975	SNHYDGOMJJMGBZ-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
CCCN[C@H]1[C@H](CC(C)(C)CC)CCC[C@H]1C	2023997213	GABZELUWMUPMTL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](O)C2(C)CCCC2)C1	2024124891	RGTXOTAZESKFCI-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@@H]1CCCC(C)(C)C1	2024126750	YZVKFEJNJDGJFR-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
Clc1ccc2[nH]c([C@]34CCCC[C@@H]3C4)cc2c1	2024286478	KZUKJZCPGZNHIX-ABAIWWIYSA-N	245.753	4.653	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1[C@H]2CCCC[C@H]21	2026065379	ZRFKHMLYIQJXAY-AYDFFVQHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)C1CC(C(C)C)C1	2026172895	YQPOOSMDMFRSBN-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CC(c2nc(CC3CC3)cs2)C[C@H](C)C1	2026537426	DSVLGACGWIIUBT-GHMZBOCLSA-N	249.423	4.635	0	10	BJAE	
CC[C@@H](C)C[C@]1(CC)Nc2cc(C)cc(C)c2O1	2027859135	CPAZXCXIIKAKFX-BDJLRTHQSA-N	247.382	4.650	0	10	BJAE	
CCCc1ccc([C@H](O)[C@H](CCC)C(C)C)cc1	2028235626	RGUYISMGECWDIJ-SJORKVTESA-N	248.410	4.745	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)c1cc2ccccc2o1	2028252630	PQIRERYSARAYTO-XJKSGUPXSA-N	245.366	4.505	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)c2ccc(C3CC3)cc2)C1	2028590231	HSINQIVAAZPYAC-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)C1CCCC1	2028898088	RNKYWSKKPXCYCV-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](c1ccccc1)C1(C)CC(C)(C)C1	2029112307	QAEIIQQTXSHVGQ-OAHLLOKOSA-N	245.410	4.554	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)CC1	2029181805	PVZPFTSPEKEWJY-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C[C@@]2(N)CC(C)(C)CC3(CC3)C2)C1	2030286699	FDOKPDNCQJWKDP-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(CC)c(C(=O)C(C)(C)C(C)C)c1	2032304481	AISXTWFTTLUUDD-UHFFFAOYSA-N	246.394	4.676	0	10	BJAE	
CC1(CCN[C@H]2CCCC3(CC3)C2)CCCCC1	2033212412	KQINRDNHOYOWBW-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(C)C1CCC(C(=O)C[C@H]2C=CCCC2)CC1	2035558642	DPHCXVNYYFIWDV-FHERZECASA-N	248.410	4.764	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C[C@H]1C=CCCC1	2035575280	GLAGSHVMYBTXMD-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1N[C@H]1CCCCC12CCC2	2035889678	DYUVYZNNEBTZJV-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
O[C@]1(CC2CCC=CCC2)CCCCC12CCC2	2035929213	ZKEYEXADMTUJOT-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC(CNC2CCC3(CCC3)CC2)C1	2036486034	YOUVKNMLPUZHSH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@](N)(CC)c1cccc(C)c1	2037138276	GVLISYVCNWCIAO-QGZVFWFLSA-N	247.426	4.775	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)CCC1=CCCCC1	2037171258	DPBKHJPFRQEZKL-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H]2CCC3(CCCC3)C2)C(=O)C1	2037682231	LAYUFQAPFWNYGT-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H]1CC[C@](C)([C@@H]2CCC3(CCCC3)C2)C1	2037697267	GBMXBMQTIUTPCX-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCCC[C@](C)(O)c1ccccc1	2038171966	VUUGSHGASLTQME-RDJZCZTQSA-N	246.394	4.501	0	10	BJAE	
C1=C[C@H](NC2CCCCCCCCC2)CCCC1	2039041238	IVNMDJVSRMFTOV-KRWDZBQOSA-N	249.442	4.968	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)C2(CC)CCC2)cc1	2039719614	JGGUQXLILVWDTN-XJKSGUPXSA-N	245.410	4.780	0	10	BJAE	
C[C@H](NCCCC1CCCC1)C12CCC(CC1)C2	2039866260	WWAHEKWKKSBAPW-OOHWJJMZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@H](C)C1)[C@]1(C)CC=CCC1	2042017757	YHAPRRYZSXEOHW-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@@H]1C=CCCCC1	2042739063	UNAFZHOELOHEFY-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1CC([C@@H](C)N[C@H]2CCCC3(CCCC3)C2)C1	2043547904	UISNJTQPNDKNDJ-KNIAUWFNSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](C2(N)CC(C3CCCC3)C2)C1	2045386361	XDFWLAIADNUYCZ-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCCC1CC1)[C@H]1CCC2(CCCC2)C1	2045730718	QZEGMJCZHLECRS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)C[C@H]2CC23CCCCC3)C1	2047013250	UJZQBXNRRUAFIQ-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H]1CC12CCCCC2)C1CCCCC1	2047015229	HLGXOILXNVGPSD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@H]1CC12CCCC2)C1(C)CCCC1	2047019636	KCZRBCMYGAOLRM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@@H]2CC23CCCC3)C1	2047063340	VQMQABJDOLRLKF-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047423925	FXHGRCLMFSLMIE-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047438427	SJTZDPIXZVMBKE-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CC[C@H]2CCCN[C@H]2C1	2048076560	FNOWOXFPGSVGDD-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCCC[C@H]1CCc1ccccc1	2049640183	OWYKVGLBYBRGRT-INIZCTEOSA-N	244.378	4.549	0	10	BJAE	
CN(C[C@@H]1C=CCCC1)C1CCCCCCCC1	2049782048	CWEBVONWGISRSQ-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC1(CC(=O)C[C@H]2C[C@H]3C=C[C@H]2CC3)CCCC1	2049788324	JQQXPTKBIASAMF-SOUVJXGZSA-N	246.394	4.518	0	10	BJAE	
CN(CC1(C)CC1)C1CCC2(CCCCC2)CC1	2051643081	NDZUCHCKQDXLOD-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNC2CC2)CCCCC12CC2	2053355020	GVMPFBDSSYYILH-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)NCC1([C@H]2CCC[C@@H]2C)CCC=CCC1	2055274541	GZVGFTFOBUNLDH-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](N[C@H](C)[C@H]2CCCC(C)(C)C2)CCC1	2055551641	IHHWPCYICMOYNX-OWCLPIDISA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)[C@H](NCC2CCCCCCC2)CCC1	2055552591	QMOOAXMBCSBLKW-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2059198101	KRRGCYDWQQOCPT-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
CC=CCCC[C@]1(CNCCC)C[C@H]2CC[C@H]1C2	2059250796	UEGIPPBISIRVID-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C1=CC[C@@H](CC)CC1	2061084366	JINVPUAKDIDETM-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C1CC(=C2CCC2)C1	2061734513	NUYKBXKGKORKNA-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(CC[C@@]1(N)CCCCCC12CC2)C1CC1	2062009506	NMMKVVFTGIVQHV-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCCCC23CC3)C1	2062017988	QLNOJKJLNWTBKI-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC[C@@](N)(C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCC1	2063497480	QZQMSFDMCOVPOZ-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](Nc1cc(C)ccc1F)c1occc1C	2063670350	CDQKRVLDUQQNJI-CYBMUJFWSA-N	247.313	4.599	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC1CC(C(C)(C)C)C1	2067988445	JQTYIABNMOYITF-JEYLPNPQSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2068704997	SHIZQZOJMCJMEA-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H]1CCC12CCCCC2	2070407564	HOAXHTISTKRZEN-CVEARBPZSA-N	249.442	4.824	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@H]1CCCCC12CC2	2070414092	QJGBHYCQLAYCTG-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CCC1	2071920661	YNQASAPKIVFZCI-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)C[C@H]1CC[C@H](C)CC1	2072880231	ZJSKNEIKTYRYCG-MMTVNHQJSA-N	248.410	4.764	0	10	BJAE	
CCCCC[C@@](O)(CC)Cc1ccc(CC)cc1	2073339946	CREGOCVRWXYTFZ-KRWDZBQOSA-N	248.410	4.513	0	10	BJAE	
CC(C)[C@]1(C[C@]23CCCC[C@H]2C3)CCCCCN1	2074029741	PGZJBGQPROLLQL-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C[C@]2(C)C=CCCC2)C1	2074890761	CDJBFWJORARAIR-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CC[C@@]23CCC(C)(C)C3)C1	2074890870	CVUXPHQZICLZBV-BFYDXBDKSA-N	249.442	4.610	0	10	BJAE	
C[C@H](Nc1ccccc1C1CCC1)C1CC=CC1	2077263557	YORSTAGDNSVCLT-ZDUSSCGKSA-N	241.378	4.721	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H](C2CCC2)C2CC2)c1	2077264640	XMNBRDBWOZRQQI-KRWDZBQOSA-N	241.378	4.555	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CCC)c1ccccc1	2079632943	KYGKAVCGZMGVAI-IXDOHACOSA-N	245.410	4.554	0	10	BJAE	
NC1(C[C@H]2C[C@@H]2C2CCCCC2)CCCCCC1	2079672351	VYTNQKRDUHKVNQ-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C[C@@H]1C[C@@H]1C1CCCC1)c1cccc(N)c1	2079707722	VFXUEIOUWCHZHZ-SRCQZFHVSA-N	243.394	4.589	0	10	BJAE	
Cc1cccc(OC[C@@H]2C[C@H]2C2CCCC2)c1C	2079804235	PEKOYHZWRGYNRW-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2079831553	JWVXLYXHZMOISF-QXSJWSMHSA-N	249.442	4.523	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)c1cc(C)c(C)cc1C	2079844751	WALDFMIIGLYEPZ-GJZGRUSLSA-N	244.378	4.621	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]1C1CCCCC1)[C@@H]1CC=CCC1	2079864517	MOSREAWQSPFUIW-OWCLPIDISA-N	246.394	4.518	0	10	BJAE	
CCCC[C@H]1CC[C@H](c2ccc(CN)cc2)CC1	2086848070	ZDIMYPSNMSOMBR-KOMQPUFPSA-N	245.410	4.609	0	10	BJAE	
CCCCC[C@@]1(N)CCC[C@H](C(C)(C)C)C1	2212098976	AHTMAHIOQBADME-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H](CC)C(C)C	2212650135	WQAQWPADFADGQI-CYBMUJFWSA-N	239.790	4.749	0	10	BJAE	
CCC[C@H](NCCCCCCC1CC1)C1CC1	2213575473	GGHSOCBXWVZJCR-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H](O)[C@H](CCCCCCCC2CC2)C1	2216858225	BTLKBLIBTLJNKL-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)NC[C@@H](C)CC1CCC(C)(C)CC1	2217145620	RICGPKZXJSCPIJ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
N[C@H](CCCC1CCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218347080	VUZKPGPVMVMXDV-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218361781	QKLFDLQRESUBTR-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
C(CCC[C@H]1CC[C@]12CCCNC2)CCC1CC1	2218728566	VAVZSKHUUUTAHQ-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC[C@@H](NC2CCC(C3CC3)CC2)C1	2218896885	NPOPAAQNZYKWQD-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CC=Cc1ccccc1	2219042797	AXSWJTYXNFXXTD-DOTOQJQBSA-N	246.394	4.667	0	10	BJAE	
N[C@@H](CC[C@H]1CC12CCCCC2)C1CCCCC1	2220301826	YEOMGCCENVSKLY-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C(C1CCC1)C1CCC1	2220964018	VVCUJLQQSJUQPK-IUODEOHRSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCC[C@@]1(C)NCC1(C)CC2(CCC2)C1	2221015125	GPJQNYSPMODYDE-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@H](CNC2CC(C)(C)C(C)(C)C2)CC1	2221619531	RJKWFMJXOXZKIV-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](C)(CNCC2(C(C)C)CCC2)CC1	2221641707	XZBSUABRBRZLEO-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)[C@H](CC(C)C)C(C)C	2222013788	LJKQANMOTMSAMX-WBVHZDCISA-N	248.410	4.655	0	10	BJAE	
C(CC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)CNC1CC1	2222932429	FIPSEULYOJHBQU-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
NC1CC2(CCC2=CCCCCCCC2CC2)C1	2223110660	PXDDWVYNCYJGKT-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C(CCCN[C@@H]1CC[C@@H]1C1CC1)CCCC1CC1	2223115010	DLRQDZUVGMCFEA-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC2CCCC2)CC=CCC1	2223595934	OYNOSIOTHZCLIN-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1sc(Cl)cc1CC1=CCCCC1	2241442925	IVSGRXQHXDLWAQ-UHFFFAOYSA-N	226.772	4.753	0	10	BJAE	
CCCC[C@](C)(O)CC[C@@H]1CCC[C@H](C)C1	2242791627	VROXDOVUHQROOU-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCc1ccsc1CC=Cc1ccccc1	2243499072	YLALQUUAVHYRON-UHFFFAOYSA-N	228.360	4.566	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@H](C)CC(C)(C)C	2244788234	PDZYBGGEUOYKFL-RDBSUJKOSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(CN)CCCCCC1	2247159716	OVXYTNHRRMTBEY-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](O)CCC1CCCC1	2247167810	YOUFVFNPFXUTCC-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCCC23CC3)sc1C	2247665113	MFYBZKGZEZMFDS-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN(C)[C@H](C)C(C)(C)C	2248839933	DQKRJJFUDYHGNL-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCNc1cccc(C(C)(C)C)c1	2249312314	MHLMQYMFMZXPRU-UHFFFAOYSA-N	233.399	4.832	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc(C(C)C)cc1	2250362472	VBRLFGQPJLWDRE-ZDUSSCGKSA-N	232.367	4.819	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@H](CC)CCC	2250372339	PDZDNOFWYZTZPT-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](C)C1CCCCCC1	2250391511	WYXLYLBJHXLKKH-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(N)C(C)(C)C	2250473570	FIMWNAHJCOBPSG-GOEBONIOSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)C1CCCC1	2250482131	SBSMFVMWJGTDOB-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)C(=O)CC1(C)CC(F)(F)C1	2252937227	PJLPYUOMOFTIJP-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC1CCC(N(CC)c2ccc(F)cc2)CC1	2253415876	GNKCFPRNMDTTPO-UHFFFAOYSA-N	249.373	4.621	0	10	BJAE	
Cc1cccc2c1N[C@@H](CC1(C)CC(C)C1)CC2	2253867649	ARANZNRLHTZAEC-YAJUMTOWSA-N	243.394	4.548	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@H](N)C23CCC(CC2)C3)C1	2253936593	SFJQHSDCMPKKOT-YKDOHLLJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(N)[C@H]3CCC[C@H]2CC3)C1	2254006284	YVNXGZJVGRMPAM-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@H]1CCCCC12CC2	2254613280	ZQOZWOVZIVJCNW-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cc(C=O)cc(C2=CC[C@@H](C)CC2)c1	2254714888	MENKQUQUWZBWFG-CYBMUJFWSA-N	242.362	4.826	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1CC=CCC1	2255095056	QOHHHCKHBLKQDJ-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CCCC23CC3)CCCCC1	2255227763	PKNZJZUAXSCLIT-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
Cc1ccccc1N(C)CCCCC[C@@H]1C[C@@H]1C	2257289068	ITIKUZNOAGYFGC-JKSUJKDBSA-N	245.410	4.648	0	10	BJAE	
Cc1cccc(NCCCCC[C@H]2C[C@H]2C)c1F	2257342697	UUYQPTQFRRRKFS-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC1(C2CCC2)CCC1	2257342997	VAAGFEMFWVPEQX-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(F)c1NC[C@@]12CCCC[C@@H]1CC2	2260584862	XLKGDQRKRRQSFE-CJNGLKHVSA-N	247.357	4.516	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@]12CCC[C@H]1CC2	2260644923	DVOQNWKDTJOYKS-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]3C[C@@H]32)cc(C2CCCC2)c1	2260736079	SAEOAPZPOGGTMZ-HYVNUMGLSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2CCCCC23CC3)C1=O	2261436136	PGVGXDDHYFXAKL-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@H](C[C@@]12CCCC[C@@H]1CC2)NC	2298722266	JSAPGRFJWHZDGY-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H](O)CC1CCCCCC1	2298918766	YREVXPXCBSFLBH-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1(C(C)C)CCC1	2300876006	BDJMTNDHGHAGSO-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
C[C@H](c1ccccc1)N(C)c1ccc(Cl)cc1	2301289014	NQPFPVHZWRVXTB-GFCCVEGCSA-N	245.753	4.537	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@H](C)[C@H](C)C(C)C	2301868344	YPXCMMRINGNLKT-IIAWOOMASA-N	240.431	4.636	0	10	BJAE	
CN[C@H]([C@H](C)[C@H](C)C(C)C)C(C)(C)C(C)(C)C	2301952713	KMDMGHIJNCPPMW-MGPQQGTHSA-N	241.463	4.575	0	10	BJAE	
CCC[C@H](CNCC(C)C)[C@H](C)[C@@H](C)C(C)C	2301959737	WERJCVLQOUMYHJ-ARFHVFGLSA-N	241.463	4.577	0	10	BJAE	
C[C@H](CNCCCC1=CCCCC1)C(C)(C)C	2302315448	JJFUBYWXRAKBSG-CQSZACIVSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(F)c(CCCC2=CCCCC2)c1	2302346857	LIUAXVMRBLMBKP-UHFFFAOYSA-N	232.342	4.957	0	10	BJAE	
CCCC[C@@](C)(CC[C@@H]1C[C@H]1CC)CNCC	2303566049	GPFHMGJCESGDFZ-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](C[C@H]1CCC(C)=C(C)C1)c1ccsc1	2303575219	IDMAGMIHPWGXEM-ZFWWWQNUSA-N	249.423	4.535	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@@H]2CC2(C)C)C1	2304434372	IOPCRRBPSSVYQM-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)C1CCC(C)CC1	2307837375	GWCLEDXSKRCSMJ-GRAKBVBRSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CCC[C@H]1C(C)C	2307896515	VIKOHMMVWUCVHF-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CO)CCCCC12CC2	2307899612	RBQCZXKSGSVZGS-ZBFHGGJFSA-N	238.415	4.536	0	10	BJAE	
CCC[C@@H](CC)CN1CCC[C@@](C)(CC)CC1	2307906067	BNAAIZASWBUDSF-HZPDHXFCSA-N	239.447	4.715	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2CC[C@@H]3C[C@@H]3C2)C1	2309399917	USJOUESTTYBPSP-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC[C@@]23CCC[C@@H]2C3)CC1	2310375131	PSCFFPMISYWRJY-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C[C@H]1C1CCCCCC1)C1CC1	2311609854	RRXHTKOBTDAXML-KCXAZCMYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@@]12CCCC[C@@H]1CC2	2313292550	RKYQOQWNXSMGDY-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](C[C@@]23CCCC[C@@H]2CC3)[C@H](C)C1	2313346282	JJVKKTOQEVXKKF-CLBVLKOUSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@H](C)c1ccccc1	2316235733	NEWCVWQONGNZNM-RHSMWYFYSA-N	247.426	4.595	0	10	BJAE	
CCC(CC)CCN1c2ccccc2CC[C@H]1C	2316263894	JIRNKLRBKHNNPW-CQSZACIVSA-N	245.410	4.654	0	10	BJAE	
C[C@@H]1C[C@H]1NC(C1CCCCC1)C1CCCCC1	2316358093	NUMWCQDRLIEDNU-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CC=CCC[C@@H](CNC(C)(C)C)c1ccccc1	2316533166	WNMFPSVRNXBIQG-INIZCTEOSA-N	245.410	4.515	0	10	BJAE	
C[C@@H](CC1CCCCCC1)c1ccc(CN)cc1	2316936929	HSBCSNLXOZQYGD-AWEZNQCLSA-N	245.410	4.609	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@H](C)[C@H](C)C(C)C)c(C)c1	2317822242	AHZTXKGZYUSTQQ-INMHGKMJSA-N	247.426	4.540	0	10	BJAE	
C1=C(CCC[C@H]2CCc3cccnc32)CCCC1	2318569952	UVCPQWMPXBBICY-HNNXBMFYSA-N	241.378	4.782	0	10	BJAE	
CC1(C)CC[C@@H](CN2CCC23CCCCCC3)C1	2319120530	DSFGHARBWQPERG-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1cc(F)ccc1C1CC1	2319170713	GRRBMNROCNSZQN-HNNXBMFYSA-N	249.373	4.529	0	10	BJAE	
CCCCC1CC(NC[C@@H]2CCC(C)=C(C)C2)C1	2320231522	NJJKYRDKCJULMZ-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](COc2ccc(C)cc2C)CC1	2320386992	CEZNTWOFADRBAG-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
CCC[C@H](N[C@H]1CCC(C)=C(C)C1)[C@H]1CC1(C)C	2320419779	KXRFTMDOBWDVFW-XHSDSOJGSA-N	249.442	4.680	0	10	BJAE	
CCCC1(C[C@@H](O)c2cccc(C(C)C)c2)CC1	2320584241	FLVADSOUHRBCGV-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](N)c1cccc(C2CCC2)c1	2320654696	AGNAFOQBIRZYOS-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CC[C@H](Nc1cc(C)ccc1C)c1ccccc1	20548148	UXKDCICELSYBOS-INIZCTEOSA-N	239.362	4.867	0	10	BJAE	
CCCC[C@H](NCCC)c1ccccc1Cl	71085509	MPCBXPHNKIYVGC-AWEZNQCLSA-N	239.790	4.571	0	10	BJAE	
CCC[C@@H](C)[C@H](O)c1ccc(C)c2ccccc12	79905840	OMBBBIIMOWHDNP-DYVFJYSZSA-N	242.362	4.618	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](CC2CCCC2)C1	80415328	JIEJQDDXHPAYFF-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(O)ccc1-c1ccc2ccccc2c1	82039885	XEBNKOIWFVRNRS-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
CSc1ccc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1	84981456	ZMVULWVHKZLZIA-SGMGOOAPSA-N	249.423	4.645	0	10	BJAE	
CCN[C@H](CC(C)(C)C)C1CCC(CC)CC1	85081076	WXMPSBDUYZJVRL-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCC[C@H](CC)CC1	88296813	RLSJKAWVXZOZOW-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
Cc1cc(C)c(-c2nccc3ccccc23)c(C)c1	90376263	ISTNCAUPBGEENC-UHFFFAOYSA-N	247.341	4.827	0	10	BJAE	
CC[C@@H]1CCC[C@H](Sc2cccc(C=O)c2)C1	90870240	USCBSCBSXQILHB-OCCSQVGLSA-N	248.391	4.560	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CCC)c1ccccc1	109656229	AMRKTCXQSOHURT-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
CC[C@H](Nc1cccc(O[C@H](C)CC)c1)C(C)C	109948583	QVZDMIJVXGGUPD-CJNGLKHVSA-N	249.398	4.710	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc2c(c1)CCC2	110157759	LFMSGFHBISJXMG-AWEZNQCLSA-N	245.410	4.804	0	10	BJAE	
CCCCC[C@H](N)C(CC)(CC)c1ccccc1	110462959	KADXNWWRUOGRPP-INIZCTEOSA-N	247.426	4.652	0	10	BJAE	
CC[C@@H](Nc1cccc(F)c1)c1ccccc1F	122457139	IGCPDKHTHIAIHO-OAHLLOKOSA-N	247.288	4.528	0	10	BJAE	
CCC1CCC([C@H](O)C[C@@H](C)C(C)(C)C)CC1	125519732	IGZNUOGMLPANLI-XSCHDIRWSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CC[C@H](N)c2cc(C3CCCCC3)ccc21	136910405	ULCYGFNEFSYDCU-PXAZEXFGSA-N	243.394	4.631	0	10	BJAE	
CCCCC[C@H](CCC1CCCC1)NCCC	159577069	NDZGHPRTOMKVFZ-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)CC1(C(=O)c2ccccc2F)CCCC1	164609650	YCXOPCZBIIUDGQ-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CC(C)CCC[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	165474009	ZCMYIPVIZBMHFC-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C1CCCCCC1	168056403	ZNGYWLCEUDHJGB-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](O)C[C@H](C)CC(C)(C)C	168242933	DIRQBWKXWCRCTA-KBPBESRZSA-N	228.420	4.780	0	10	BJAE	
Cc1ccc(C)c([C@H](N)[C@@H]2CCCCC2(C)C)c1	226543743	NLBBJUDWLSEUIF-HOTGVXAUSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C1(CC)CCCC1	228693767	NXRKSPRPIKZUFB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](N[C@H]1CCC12CCCCC2)c1cccs1	230164329	LMHGZIGLBMZUEY-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](O)(CCC(C)(C)C)C1	230785598	JZSWYZVARAGPEN-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CN[C@@H]1CCC[C@@H](C(C)C)CC1	232981353	HBTLMBYQOVNKNO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CNc1ccc(-c2c(C)c(C)cc(C)c2C)cc1	259052682	AMVWQILDSHOTOL-UHFFFAOYSA-N	239.362	4.629	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@H]1CCCCC1(C)C	300462251	HGOCKJLVXBWRMF-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC(=O)C(C1CCC1)C1CCC1	304570195	RACCKCVOHULMBN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(NC[C@@H](C)CC(C)C)CC1	305943340	LUXCMJJVYZEDKY-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@H](N)[C@@H](CC)CC(C)C)CC1	308106619	WFQYSXDPXNAQBM-BHDPWAOGSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCC(C)(C)C(C)(C)C	310130360	AGJJAJWMALBXRV-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(=O)CC[C@H](C)C1CCCCC1	310487937	NLECCYWAQIRCLN-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](NCCCC(C)(C)C)c1cccc(C)c1	313249421	AKYMAPVZGWVAIX-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNCC)CCCC[C@@H]1C	317496933	KZVGJKKIUIHSHX-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](N[C@H](C1CC1)C(C)(C)C)c1ccccc1	324145328	WYMIIXCNHQOZHS-JKSUJKDBSA-N	245.410	4.552	0	10	BJAE	
CCN[C@H](CC)[C@H](C)C[C@@H](C)C1CCCCC1	380066919	ZEJZZOXJVQKPJA-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)CC1CCC(C)CC1	380203711	RTBNEHCSFQSYEW-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CC1(CC(=O)CCCc2ccccc2)CCCC1	381264206	PZMAQIVHZIDXEA-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CCC1(NCC2CCCCCCC2)CCCC1	382601517	OQJQBJWMPSLDCC-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCCC(C)(C)C)CC1	382666494	HKZRIAPLFWSCMM-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCCC(=O)c1ccn(CCCCCC(C)C)c1	383173011	SNZQMUWXTJWLBC-UHFFFAOYSA-N	249.398	4.687	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CCC[C@H](C)C1	386454090	DJORHIDIMFTQRO-UONOGXRCSA-N	244.378	4.819	0	10	BJAE	
CC[C@H](N[C@H](CC)C1CCCC1)c1ccccc1	387505275	DKHFSRCDGOWHQF-DLBZAZTESA-N	245.410	4.696	0	10	BJAE	
CCCC[C@H](NC[C@H]1C[C@H]1CC)c1ccccc1	387772533	CALNCCVGBGFXAX-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
CCN[C@H]1CC[C@@](C)(CCCCCC(C)C)C1	394811244	KKOVYWSWTIYHPK-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@@]1(O)CCCC(C)(C)C1)c1ccccc1	395316812	ZGEOPVDNLFVPCU-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
Cc1sc2ccc(C(F)(F)F)cc2c1S	396295632	FZMRGCFKNDVJOE-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
C[C@@H](Nc1ccc(C(C)(C)C)cc1)[C@H]1CC1(C)C	397624341	MFKJJDZVCVFSRS-IUODEOHRSA-N	245.410	4.831	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1)[C@@H](C)C(C)(C)C	399213035	VQJXASYHNDPTBO-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
CCN[C@H](C1=CCCCC1)c1csc(C)c1C	399860119	COSWWPRIOZAVEP-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C1CC1)c1ccco1	405725036	JLHYRORHAIIWGZ-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CCN[C@H](CCCC1CC1)CCC1CCCC1	405749296	RFSWJFJURHVSSO-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC[C@H]2C[C@@H]21)C1CCCCC1	691753189	FEFHAHMQMNCDKL-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CCNCC1(CC2CC=CC2)CCCCCCC1	692156261	PHCGIOXDMMLLLP-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCCC2(CC2)C1	696598088	FVDGNJWRHDJVJS-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
N[C@@H]1[C@@H]2CCCCCCCCCC[C@@H]2C12CCC2	700895374	YOTYFDFRPDZQLO-OWCLPIDISA-N	249.442	4.645	0	10	BJAE	
CC(C)CCC[C@@]1(N)CCCCC[C@H]1C(C)C	704457973	CVDPGJBPSIQSAY-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCCC[C@H]2C2CC2)C1	704475691	WZEPVPXUGCQNJX-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@](C)(O)CC1CCCCC1	704882673	HQQRCHHLQOJKDF-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](N)(C[C@H](C)CC(C)C)C(C)(C)C	704889529	NTCLAOVYMAHEPC-UKRRQHHQSA-N	227.436	4.602	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1CCCC[C@@H]1C	704962603	QKALNLRZPKWNFK-GXTWGEPZSA-N	224.388	4.598	0	10	BJAE	
C1CCC(CCCN[C@@H]2CC[C@H]3CCC[C@H]32)CC1	707861359	QLXDCTBDKAXDIJ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)N[C@@H]1C[C@@H](C)CC(C)(C)C1	708312390	VSAYLUMHJHIRTQ-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
C[C@@H](C[C@@H](C)CC(C)(C)C)[C@@H](N)c1ccccc1	709100953	APFXGMVNAGLNPT-IJEWVQPXSA-N	247.426	4.785	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)[C@]12CCCC[C@@H]1C2	709129267	MNAVMUWNCPFIBT-XJKCOSOUSA-N	247.357	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)CCCC(C)(C)C1	709146123	QLTQFPDDWDPUDJ-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1cccc(F)c1C	709236112	XWBNMWVNPHHXOJ-CZUORRHYSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@H](C)C(C)(C)C	710706180	IUVSHQQVFDAMBW-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(CC(C)(C)C(C)C)C1	713144874	DAFPQJHUGQNPCR-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C\CCN[C@H](CC)c1cccc(Cl)c1	713505837	YZQHNMLUMIGXIM-IYKSTZQJSA-N	249.785	4.513	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H](C2CCCCC2)C2CC2)C1	723982191	NKVYPGNVJPFOKI-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@H](C)NCc1cccc(C(C)C)c1	1177148518	IJVKFMQIOJXYSI-OAHLLOKOSA-N	247.426	4.868	0	10	BJAE	
C[C@@H]1CCCC[C@H]1SC1=Nc2ccccc2C1	1613548082	CAOINMFUYCAWNJ-BXUZGUMPSA-N	245.391	4.585	0	10	BJAE	
Cc1cc(C)cc(CS[C@H](C)C(C)C)c1	1640954726	DYZPMMRKYPAJRR-CYBMUJFWSA-N	222.397	4.581	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Sc1nc(C(C)C)cs1	1644057990	FMZNHWPZORQBOO-NXEZZACHSA-N	243.441	4.793	0	10	BJAE	
CCCCCCN(CCC(C)C)C1CCCC1	1653232233	KDJBWPZSVBIPCO-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@@H]1CCC[C@H](C)CC1	1658872505	WSSVIEUGJBJDOF-QMCVQRASSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](N)C[C@@H](C)CC(C)(C)C	1900855335	RWKGAGCBOPEYKV-ZIAGYGMSSA-N	225.420	4.523	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H](C)[C@H](C)C(C)C	1901622850	CSHNLWLZKSGGBS-NEPJUHHUSA-N	239.790	4.741	0	10	BJAE	
CC(C)CCCc1cccc(C(F)(F)F)c1	1901881747	VCCSOSKXPCVXMX-UHFFFAOYSA-N	230.273	4.684	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc(CC)s1	1905455754	FSICFLULWUBXNK-NSHDSACASA-N	238.396	4.710	0	10	BJAE	
CCC[C@](C)(CCC[C@@H]1C[C@H]1C)CNC(C)C	1908553784	FAISLUUWFROMII-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CNCC1(C2CCCCC2)CC2(CCCCC2)C1	1912554599	IHEUBCNDZPKICM-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)CC[C@H](O)C1CC2(CCCCC2)C1	1912730795	YRXHELZEDPRXTD-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)CC1(C)CCCC1	1919958316	HLJVGNUGVUYYEC-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)[C@@H](C)CCC(C)C	1919972812	JJRDFASDOJOVAB-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
CCCc1ccc([C@](C)(N)CC(CC)CC)cc1	1920481047	HTYQINGDSTUDAE-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@@H]1C=CCCCC1	1925931111	XLMOETLCXDTTQI-XHSDSOJGSA-N	238.415	4.700	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(O)[C@H](C)CC(C)C	1939031693	LTPCGKFQQKKVAJ-HUUCEWRRSA-N	226.404	4.556	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CC1(C)CCCCC1	1940410680	UNUVISCAHMUOSJ-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)[C@H]1CCC[C@H](CC)C1	1941262674	IAFPEYOFGVWUID-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)c1csc([C@@H]2C[C@@H]3CCCC[C@@H]32)n1	1941710320	NPFUEWXJHBLHNK-SDDRHHMPSA-N	249.423	4.734	0	10	BJAE	
CCCCC[C@H](CC1C[C@H](C)C[C@@H](C)C1)NC	1944201845	FPXKVKXVXLKAJT-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@H](N)C(C)(C)C2CCCC2)CCC1	1944640505	MCVNHGRNIMWTRK-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
C[C@H](NC1CCCCCCCCC1)C1CCC1	1947880991	JNSITGSXYAPAKW-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@]1(CC)CC1(F)F	1948109193	MAHJAUDMIUBQFL-WCQYABFASA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)C1CC(C)(CC)C1	1948405310	LCHXXZBCSDDDNR-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@](C)(N)CC1CCCC1	1949055047	QFXORDHCYHBBLE-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@@H](C)C2CC2)CC1	1949072232	NFEJAMLUUVRFCH-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](O)CC2CCCCC2)C1	1949915804	IYLVVPYPWQBDFA-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@]1(CNC(C)C)CCC[C@H](C)CC1	1950924550	LXEDCJOLCGCKIU-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CC2CCCCC2)CC1	1950929555	IAXIXTIFSZPTAC-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](Nc1ccsc1Cl)C1CC(C)(C)C1	1959162013	UAGJVPSEPWGWGT-QMMMGPOBSA-N	243.803	4.638	0	10	BJAE	
CCC(C)(CC)CNCC[C@H](C)c1ccccc1	1964607746	XONJMOPKJDYXMK-HNNXBMFYSA-N	247.426	4.596	0	10	BJAE	
C[C@@H](N[C@@H]1CC(C)(C)CC[C@H]1C)c1ccccc1	1969249966	PCUYZKGRVFRORE-IIAWOOMASA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC2(C3CCCC3)CC2)C1	1970500272	OJVNIYFAZYRXTQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CN(CC2(C)CCCCC2)c2ccccc21	1970522349	LZQUHJOKWUSTNA-AWEZNQCLSA-N	243.394	4.581	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)C23CCC(CC2)C3)C1	1973846647	BGPMKABMPJDESM-TUBUQKNSSA-N	249.442	4.514	0	10	BJAE	
CCC/C=C/CNc1cccc(C(C)C)c1	1975487952	BNECFTSQPABGQZ-VOTSOKGWSA-N	217.356	4.578	0	10	BJAE	
C[C@@]1(CCC2CC=CC2)CCCCC1(F)F	1979998057	VAMXVBQXVNSTEY-ZDUSSCGKSA-N	228.326	4.948	0	10	BJAE	
Cc1ccc(C)n1C1CCCCCCCC1	1980318466	BBRYCDLNAMJGBW-UHFFFAOYSA-N	219.372	4.780	0	10	BJAE	
CSCCCCC(=O)C[C@H](C)CC(C)(C)C	1981568124	KTFHDWNSOZHWOZ-LBPRGKRZSA-N	244.444	4.551	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1cc(C(F)F)cs1	1983693332	GTALFXGTTZYFJH-PSASIEDQSA-N	248.338	4.545	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H](CC)CCCC	1984636319	YFHMVSCBCOGDLI-QKNOVVFDSA-N	225.420	4.537	0	10	BJAE	
CCCC1(COc2ccc(Cl)cc2C)CC1	1990571298	JCAJMFSMHQCXRU-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCCC[C@H](O)CC[C@@H]1CCCC(C)(C)C1	1994033387	HZFHBIRFLXCMSY-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)N[C@H]1CCCC(C)(C)C1	1995645754	UHDOCZKYYBEZMA-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@@H](C)C1)CC(C)(C)C	1996259191	FMQNSLOVQBHFNU-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(C[C@H](C)C(C)(C)C)C1CCCCC1	1996555886	UNGPDIUOGLWIPG-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1cccc2ccsc12	1996611025	PIHVEKIELOBTGN-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
CCCCCC[C@H](C[C@H]1[C@@H](C)[C@H]1C)NCCC	1998556190	LSHKZAGCFPDCOM-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CC[C@@H]2CC)CC1	1998740654	GUVWRIAKOOYIEJ-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CCCC(C)(C)C1	2000159892	ZAICIXYHHZAFEM-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCCCCC[C@@H](NC)C1(C)CCCCCC1	2000336954	XFILSQZMLSZQPC-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C(CC)(CC)CC	2000375815	HBPPQBJPNDMDNM-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@@](CC)(CCC1CCC1)CNCC	2000508472	JKRPDNNKKPBQNQ-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)[C@H]1C=CCCC1	2000509311	LUQLPQIORNFYPV-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2001495410	VPHGMQUYUILBKE-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C)[C@H]1CCCCC12CCCCC2	2001578085	JHOLNIXYGSZDNP-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC([C@H](C)[C@@H](N)CC(C)C)CC1	2002921984	TZIMPZFRHVAXBO-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CCCC2CCC2)C1	2002982644	IOQNGYDOTPZLOV-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(O)CCC2CCCC2)C1	2002997364	CCVFZEJMZBULAI-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@H]1CCCCCCCC1=O)C(C)(C)C	2003074809	OICWVTXBBMKDMU-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@]2(C)C=CCCC2)C1	2003319726	BYAYZZAUUBKXAN-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@]1(C)C=CCC1	2003322982	DGFGFCJIGPVOBX-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(C(=O)CCCC2CCCC2)c1	2003644876	FBMOQVBHAYZJKT-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
O=C(CC[C@@H]1CC=CCC1)c1cccc(Cl)c1	2003672360	UCDHSWHEJQZPOT-GFCCVEGCSA-N	248.753	4.659	0	10	BJAE	
CCCN[C@@H](CCC)C1CCC(C)(CC)CC1	2004337754	VRQMNLZKBUMKEX-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H]1[C@H](C)CNC1(CC)CC	2004706643	OZYHZWHFDFKEHG-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CCCCC12CCC2	2005564977	RHRCPNQKYUDUJM-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC1CC(CC)C1	2007755180	VWKWCKAMALDHTA-FJBKBRRZSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)CC[C@H]1C[C@H](C)CC	2009410771	LPACXVFUEJADKL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CCC[C@H](CCC)CC1	2009591696	IZAICHUDSDSNEK-KADIJHKTSA-N	238.415	4.844	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCC[C@@H](C)C2)C1	2009716593	WBIWQCXUOUKFKV-CIDNJEQPSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@](C)(O)C1=CC[C@H](C(C)C)CC1	2010716053	DGWYJMZGOJMQMY-HOCLYGCPSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H](C)CNc1ccc(C(C)(F)F)cc1	2012747568	CGSHKFIYBOIUJE-LLVKDONJSA-N	241.325	4.646	0	10	BJAE	
CCCN[C@H](CCC)CCC12CCC(CC1)C2	2012828771	AMOSNHFZOZEQJQ-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cccc(F)c1C	2013264674	OYYKEDJKRXKADV-CYBMUJFWSA-N	237.362	4.761	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@H]1C=CCCCC1	2013274860	UWQIMUTUQZAEAA-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H](C)C1(C)CCCC1	2014340138	POBJONVBHXWILM-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C[C@]1(N)CCCC(C)(C)C1)C(C)C	2015396948	GOGSDYVZQCCWQZ-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCCCCN(CC1(C(C)C)CCC1)C(C)C	2017126445	ZRUMNXGMOVFALK-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCC1CCC(C[C@H](N)C(CC)CC)CC1	2017722814	IASXXTYGZHAUDG-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2(CC)CC2)CC1	2018921552	AYWTYBBFHHLWJD-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC1(CN(C)C2CCCCCCCC2)CC1	2018947793	KJUKREYUOHSTTM-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCN[C@H](CCC1(CC)CC1)CC1CCCC1	2018985340	OVLOPBGMBRMYII-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CC[C@H](CC)CC2)CC1	2019006866	VAQBPNVVJRVJCN-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)CCC1=CCCCC1	2019778855	OKNMPOYFRQYABV-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(CCC(=O)[C@@H]1C[C@@H]1C(C)C)C(C)C	2022414921	OEYIEIMRMYHPGB-HUUCEWRRSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](N)C(C)=CC1CC(C)(C)CC(C)(C)C1	2024092713	UFECIQIFDLOIFR-AWEZNQCLSA-N	237.431	4.523	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@@H]1CCCC(C)(C)C1	2024095649	RWGJJOFFKRPEEM-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
C[C@H]([C@@H](O)C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2024129588	WQCKBROLYUMGHV-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CSc1cccc(N[C@@H]2CC(C)(C)C2(C)C)c1	2025022320	ZEFWYJIXGPXSGY-CYBMUJFWSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CC(C)(C)C1(C)C	2025061763	OPPFMAKWHNPOEO-BFHYXJOUSA-N	239.447	4.616	0	10	BJAE	
Cc1cccc([C@@](C)(O)CC2(C)CCCCC2)c1	2027311324	JLTOGYQUKJDSFA-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
C[C@H](CC1(C)CCCCC1)[C@@H](N)c1ccccc1	2027315010	ANLQPWWPSFGYON-GDBMZVCRSA-N	245.410	4.683	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@H]3CC[C@@H]32)cc1	2027993502	XWWVSZSMFGJHIG-JSQNDZKTSA-N	243.394	4.801	0	10	BJAE	
CCCc1cccc([C@H](N)[C@H](CCC)C(C)C)c1	2028253260	VJLCYTIYYFRTSC-SJORKVTESA-N	247.426	4.711	0	10	BJAE	
CCCC[C@@H](NCC)c1cccc(C2(C)CC2)c1	2028553125	VZRPVGZEYYPKDK-MRXNPFEDSA-N	245.410	4.579	0	10	BJAE	
CCCc1cccc(C2(O)CCCCCCC2)c1	2035544684	PPVWDCOPZYWMRV-UHFFFAOYSA-N	246.394	4.571	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)c1cccc(C2CC2)c1	2036352135	KVMFFJWADLSSKO-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CCC1CCC([C@@H](N)[C@@H]2C(C)=CCC[C@@H]2C)CC1	2039436969	QWFYEJDZBOQESP-LMCYLSQRSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2(CN)CC3(CCCCC3)C2)C1	2040182457	QCKHYBZTQLTCBV-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@]1(C)CC=CCC1	2042020601	YUMBMVZBEAJYFC-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@@]1(CCC(C)=C(C)C)CC=CCC1	2042095022	WUBPEIYCASTPSV-KRWDZBQOSA-N	249.442	4.849	0	10	BJAE	
CC1CC([C@H](C)Nc2cccc(C3(C)CC3)c2)C1	2043544781	UMQUDQCSURCCHT-MOKVOYLWSA-N	243.394	4.585	0	10	BJAE	
CC1(C)CCC[C@@H](C2(N)CC3(CCCCC3)C2)C1	2045383114	CXXODYVPNDYAPP-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNC1CC2(CCCCCC2)C1	2046230651	VQILEIDIVPFCFM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC1=CCCCC1)C[C@@H]1CC12CCCCC2	2047012336	NQMWTHJIHJBOAC-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CCc1ccccc1OC[C@@H]1CC12CCCCC2	2047056780	VZEVDQQRYWUSNM-HNNXBMFYSA-N	244.378	4.598	0	10	BJAE	
CC(C)(C)c1ccccc1NCC1(F)CCCC1	2047238996	PWJLXYOBGKIYRP-UHFFFAOYSA-N	249.373	4.678	0	10	BJAE	
CN[C@H](CCCC1CCC1)C[C@H]1CCC12CCC2	2047940334	ULYOFPIUNZTORN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@H]1[C@H]2CCCCC[C@H]21	2048467950	YPGHIRMOJMSKDV-BJWYYQGGSA-N	246.394	4.662	0	10	BJAE	
CCC1CCC([C@H]2CCNC23CCCCC3)CC1	2049347252	ZXMHXAGYVQLQBL-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC1CCCC1)CC1CCC2(CC1)CC2	2049860535	VOUUEWRADKPBKK-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CCCCC1(C)CC1)c1ccco1	2050524109	AWHCAQSJZIZYGY-AWEZNQCLSA-N	249.398	4.681	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@@H]1CCCCC12CC2	2053418689	AJWSDKYTCLPUFD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)[C@H](C)C1CCCCC1	2053661545	GFQXYDNFSIATKP-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H](N[C@H]2C=CCCC2(C)C)CC(C)(C)C1	2055530212	YEEKJABDTCAVAR-ZNMIVQPWSA-N	249.442	4.536	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@H](N)CCC1=CCCCC1	2056446499	GIISTUSMXDKDFI-GVDBMIGSSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)[C@H]1C=CCCC1	2056643220	QQZXCDJCWUVRHM-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@@]3(C(C)C)C[C@@H]23)c1	2058561036	ARTPWLUTZBCNIS-BBWFWOEESA-N	243.394	4.540	0	10	BJAE	
CC=CCCC[C@H](O)c1cccc2ccccc12	2059221989	VHKTXICQMRMJIO-KRWDZBQOSA-N	240.346	4.620	0	10	BJAE	
CC=CCCC[C@H](NCC)c1c(C)oc(C)c1C	2059260136	VXJXJRMFZWPVRA-HNNXBMFYSA-N	249.398	4.602	0	10	BJAE	
CCCCC1CC(NC[C@H]2CC(C)=C[C@H](C)C2)C1	2059489899	KFIJCYRWZNTECB-MHABSNSOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC=C([C@@H](N)C2(C)CCC(C)(C)CC2)CC1	2060926796	TVNVBOCYVLQQJF-UKRRQHHQSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](CC)CC1)C1CC(C)(C)C1	2061083386	BUAGODOUAYKVRU-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@](C)(N)C2CCCC2)CC1	2061120290	WKCZRARIUKCJFX-SUMWQHHRSA-N	249.442	4.667	0	10	BJAE	
CCCC1CC([C@H](N)C2=CC[C@@H](C(C)C)CC2)C1	2061136788	CULAVGURGAGVBN-VVBDHPJYSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC=C([C@@H](NC)C2(C)CC(C)(C)C2)CC1	2061140582	OOEKNYYZJHQGPC-DZGCQCFKSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@H](NCC)[C@]1(C)CC[C@@H](C)C1(C)C	2061560840	KSQHEVZHLYTBPN-VYDXJSESSA-N	249.442	4.548	0	10	BJAE	
c1cc(C2CC2)ccc1CC1CC(=C2CCC2)C1	2061725857	JNXGQDFIFJIEJP-UHFFFAOYSA-N	238.374	4.997	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](CC1CC(=C2CC2)C1)NC	2061737266	PIJSRWFOHOIBNN-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCCC12CC2)C1CCCC1	2062019573	JGSZCXCELCHRMK-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
N[C@]1(CCC2CCCCC2)CCCCCC12CC2	2062021169	SWXVVOBDPVLNQV-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CCC[C@H]1C[C@H]1C	2062620181	MFDGSCKPTRPSQS-KEYYUXOJSA-N	245.410	4.636	0	10	BJAE	
CCCNCCC=C(C)CC1C[C@H]2CCC[C@@H]2C1	2063492582	ZPZLSCDQNQMFMF-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
C(CNCCC12CCC(CC1)CC2)CC1CCC1	2065256658	CQZPROOZYJPSIS-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CC[C@H](N)[C@@H](CC23CCC(CC2)CC3)CC1	2065333797	WUQQUFISAMJQCZ-JPLDOALUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CC23CCC(CC2)C3)C1	2065338505	SVRMSNAAXCXTML-OTBWCIGPSA-N	249.442	4.502	0	10	BJAE	
CC[C@@](O)(CCC(C)C)c1ccc(C2CC2)cc1	2065994761	GYCYDOGPHLZLSG-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCCC1(C[C@@H](O)c2ccccc2CC)CCC1	2069338821	BNCWWASEKRPFJU-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2	2070407225	DWUAYFVLGXTCGE-BQJWPVKWSA-N	249.442	4.536	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@@H]1C)[C@]1(C)CC=CCC1	2070961837	FZKHHGUBGWDOER-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)CC2(C(C)C)CCC2)c1	2071897435	OWJYQJRJHWMTQY-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
CC(C)(C)C1(CN[C@@H]2CCC3(CCC3)C2)CCC1	2071931829	DRECRIGAFDWSCQ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CNCCC1=CC1(C(C)(C)C)CCC1	2071952793	GOZOOAMXSFPTGF-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CNC23CCCCC3)CC1	2072187978	JGDOIEJQTYLDID-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H]1CCCCC12CCC2	2072425771	QAEAMBXJUFACGT-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CCCC23CC3)CC1	2072801128	KXOLDOMDACAKMB-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CCCC1CCC(C=C(C)C[C@@H]2CCCN2)CC1	2072815819	PPPPZBKRHQIBBZ-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H](C)c1ccccc1	2073340065	JVNUFFKWFCLIBG-RDJZCZTQSA-N	247.426	4.868	0	10	BJAE	
CCCC1(CC(=O)[C@@]23CCCC[C@@H]2CCC3)CC1	2074591828	VYPOQKRSLRSVMY-RHSMWYFYSA-N	248.410	4.886	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@@H]1C=CCCCCC1	2074801018	ANQOHCFGBNJEFK-DOTOQJQBSA-N	243.394	4.568	0	10	BJAE	
CCN(C[C@@H]1CCC[C@@H](C)C1)c1cccc(C)c1	2074857159	PJUHCGSQDQTYDL-GDBMZVCRSA-N	245.410	4.648	0	10	BJAE	
C1CCC(CCN2CCC23CCCCCC3)CC1	2074895974	MGZMNWDUJNVACL-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCC[C@H]1CCCCN1[C@H]1CCC12CCCCC2	2075009945	DIAHDRQRIJLYLX-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
CCc1ccccc1CN(C)[C@@H](C)CC(C)(C)C	2075208944	ABAXXIPUBPHUPP-AWEZNQCLSA-N	247.426	4.506	0	10	BJAE	
CN[C@@H]1[C@H](C[C@@H]2C=CCCCC2)CCCC1(C)C	2076402051	QQCJQQWTVDDDPA-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CCC[C@@H]3CC[C@@H]32)c1	2077265383	RGMCGAHPAIJHCQ-ISTRZQFTSA-N	241.378	4.555	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](CC)CC1)[C@H]1C[C@@H]1CC	2079219274	CQJNMTQMTUWOLH-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1	2079491075	GSTKHZMNXKVRJV-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCCCN(CC(F)=C1CCC1)c1ccccc1	2081805558	ZTKVQQBZYVTUSY-UHFFFAOYSA-N	247.357	4.701	0	10	BJAE	
CCCC(C)(C)C(=O)Cc1cc(C)cc(C)c1C	2082948523	JJACHRDVQUIWIS-UHFFFAOYSA-N	246.394	4.550	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2C[C@H]3CCC[C@@H]32)C1	2082981172	BENSHGBJCIXQGX-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)C[C@H]3CC[C@H](C3)C2)C1	2082981318	CFTNGDMKHGMLMK-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
C1CCC2(CC1)NCCC[C@H]2CCCC1CCC1	2083814639	SSYRRGJSLUBIJZ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1cc(C)ccc1C	2086054239	QXDOSDCWLLTPQN-SUMWQHHRSA-N	247.426	4.910	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@]1(C)CC=C(C)CC1	2211857475	SBLWRTOWYBZFFH-ZFWWWQNUSA-N	222.372	4.518	0	10	BJAE	
CC(C)(C)C(=O)CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213281469	WRVLZHZMUCZYJT-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@]1(C[C@H](C)CC)CC=C(C)CC1	2215840616	RHCHOAQFIRFCOA-ZBFHGGJFSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1C[C@@]1(C)[C@H](N)CCCCCCCC1CC1	2216880457	VNOKKXIADLMIQX-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@@](O)(CCCCCCCC1CC1)CC1CC1	2216895051	GZKAUOVMBASOEG-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C(C)C)CCC=CCCC1	2217155760	FMXKDEYAAZFVRD-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@]1(CN[C@H](C)CC)CC12CCCC2	2217157802	VYKSTXVFZVVADD-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
O=C(CCCC1CCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218303825	KMEZPINFSVOQHH-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218304830	OEECNUMOKNECOB-TTZDDIAXSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@@H](N)C2C[C@H]3CCC[C@H](C2)C3)CCC1	2218346078	LIJLTHQABAQUEO-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCCC1	2218353881	MGUKPFGVUXHCMK-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC1CC(CC2CC2)C1)C1(C)CCCCC1	2218461913	MESNXASBXBHHCO-JEYLPNPQSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CC=Cc1ccccc1	2219067486	XAULXIMMGORCGU-IAGOWNOFSA-N	246.394	4.523	0	10	BJAE	
CCN[C@H](CC1(C)CC1)CC1(C)CC2(CCC2)C1	2221032161	JMETWLFGPRNRIS-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C(CCCN[C@@H]1CCCC12CC2)CCCC1CC1	2223154308	ISJCADFRLCBQJR-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CC[C@H](CC2(CNC3CCC3)CCC2)CC1	2223591413	CZLAKTIQUDBLNH-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1ccc2occc2c1	2224132939	ZKJSTJOYGLEILJ-GOEBONIOSA-N	246.350	4.539	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](CC)CCC(C)C	2244804765	FNXWADQNORAVLJ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC(=CCl)C[C@@H]1C(=O)C(C)(C)CCC1(C)C	2245472779	PGBVTGOQOUJZHS-LLVKDONJSA-N	242.790	4.551	0	10	BJAE	
CC1CC(C)(C[C@@]2(O)CCCC(C)(C)CC2)C1	2246448331	MVJPDJQPQUOMNM-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](O)CCC2CCC2)C1	2246725385	HQBULJOIVFRPCT-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1Cn1ccc2cccc(Cl)c21	2247397744	IEJRIWDGQGKTCD-GFCCVEGCSA-N	247.769	4.731	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCN[C@H](C)CC(C)(C)C	2248858115	PHEFKBQLKUVTHU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C(=O)c2ccc(C3CCC3)s2)CC1	2250278748	MXJUNTMZHUIFFC-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)c1ccc(C2CCC2)s1	2250279906	OSDAQLLLBHLJGN-LLVKDONJSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@H]1CCCC[C@H]1C	2250351124	AFROWOAPSQHOQC-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC[C@@H](N)C1CC1	2250481052	JNADYUZYAYPKOA-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1C[C@H]1NCC[C@@H](C)CCCC(C)C	2250489519	ZNTCWSNGNDFQHB-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(CC)CC1CC(CC(C)(C)C)C1	2251492285	KOJBFBJDSNAKTM-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](Oc1ccc(C(C)C)cc1)C(F)(F)F	2253108211	BBTFBVOJKZPLSQ-GFCCVEGCSA-N	246.272	4.530	0	10	BJAE	
CCc1ccccc1OCC[C@@H]1CCC[C@H](C)C1	2253938948	PDDMKRPFDLPKNJ-GJZGRUSLSA-N	246.394	4.844	0	10	BJAE	
N[C@@H](CC1CC2(CCCC2)C1)C1CCCCCC1	2254113746	KMEIAFKPLQPKFS-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@]1(CNC2CCC2)CCC12CCC2	2254859097	USCLXRVSHQGWFQ-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)CCCCC12CCCC2	2255021595	ALNFHUAPZCUHQT-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)CCC[C@H]2CCCC[C@H]21	2255028052	VKNNWQOXYAWTNX-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)([C@H](N)CC[C@H]2CCCC23CC3)C1	2255274404	XRTJQHRPQZPYJZ-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)[C@]1(C)C=CCCC1	2257242655	VDXNGTAFKJVCKE-YYIAUSFCSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CC[C@@H]3CC[C@H]32)c1	2257877640	GPVCKJOWDCRNKI-APHBMKBZSA-N	243.394	4.585	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)c1ccccc1CC	2259450753	AOENVULXHXYPEJ-DOTOQJQBSA-N	247.426	4.726	0	10	BJAE	
CC1CC2(C1)CC(C[C@@H](C)c1cccc(N)c1)C2	2259564682	AURRPHJMLJFMRH-OFNHWJQESA-N	243.394	4.589	0	10	BJAE	
CC(C)CCCCNc1ccnc(C(C)(C)C)c1	2260744685	KEQSQVWEQQBHTQ-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(CO)CCC=CCCC1	2300676032	KLSPVKWBVSRTMU-MRXNPFEDSA-N	238.415	4.702	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1CCCCC1(C)C	2300685572	HALQCKDAPWECTM-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)[C@H](N)CC=C(C)CCCC(C)C	2300873665	BLTWBASXTAXBJN-OAHLLOKOSA-N	239.447	4.913	0	10	BJAE	
C[C@H]1C[C@H](C)CC(O)(CC2CCCCCC2)C1	2301137274	HDYDAINYVLYPEC-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(C)(C(=O)[C@@H](C)[C@H](C)C(C)C)CC1	2301840800	QGTUKRIGICDURR-IQXANGCESA-N	238.415	4.700	0	10	BJAE	
CC(C)CCCc1cccc(OC2CCC2)c1	2302232016	ZDVWZGURUBPJGP-UHFFFAOYSA-N	232.367	4.597	0	10	BJAE	
CC1(C)C[C@H]1c1csc([C@]2(C)CC=CCC2)n1	2302267861	LDAVLGYKNIGFSZ-XHDPSFHLSA-N	247.407	4.654	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)CC2CCCC2)C1	2302749544	YUGPZFUCPGIZMK-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@H]1CC[C@@H]1C(C)(C)C	2303505763	KJBAUNRFGKNYRQ-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](C)CC(C)(C)C[C@H]1CCC(C)=C(C)C1	2303576245	UXYHXLIJENHYQI-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H](C)[C@@H](C)CC(C)C)CC1	2303603649	VHTXVKVYODZFNF-HRCADAONSA-N	237.431	4.536	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(O)CCC(C)(C)C2)C1	2304359472	MEMUHKAFMLVQJX-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(N)C12CC(CC(C)C)(C1)C2	2304406482	UNFHJNCLCINBOE-FHERZECASA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)[C@H]1C[C@H](F)C1	2307398879	XUJIHUICBGZXNR-MGPQQGTHSA-N	242.378	4.546	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@]1(C)C=CCCC1	2307892573	FIUYNDAIJFXHKZ-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCCC[C@@H]1NCC	2307893829	JTUKVAGBCWXGOI-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2310971005	RQCWEFNSADPRQO-SLBVQIDZSA-N	249.442	4.523	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)C[C@@H]3CCC[C@@H]32)CC1	2311023138	WJPTWEOUUHNFKR-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@@]12CCCC[C@@H]1C2	2311146291	OSYMOUDQFIFVRU-YLFCFFPRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]2C2CCCC2)C1	2311610366	ODSFYNXZHOJWFD-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)C[C@@]23CCC[C@@H]2CC3)C1	2313335051	QTFXTYPEOIUNPU-UTSKFRMZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)c1ccc(C2CCC2)cc1	2313704939	OVMYAVBUGVUPFE-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1CC2(CCCC2)C1	2316505360	ZPTAAQODAGIRKQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@@H](N)c1cc(C)co1)CCCC(C)C	2316507706	DLRDFDCEXQILSP-OAHLLOKOSA-N	249.398	4.751	0	10	BJAE	
CC(=CCC(=O)[C@H]1CC[C@@H]2C[C@H]12)CCCC(C)C	2316558562	ZLGJCIQMMFGSIP-PMPSAXMXSA-N	248.410	4.764	0	10	BJAE	
C[C@H]1C[C@H](C)C1Nc1cccc(C2CCCC2)c1	2316580835	BMNBVAYPGIXLQC-STQMWFEESA-N	243.394	4.801	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316875387	VZAFGRWDHJACQC-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@H](C)[C@@H](C)C(C)C)c1	2317628658	BTCPNWFGCRREHU-XHSDSOJGSA-N	247.426	4.635	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@H](C)[C@H](C)C(C)C)cc1	2317859981	WBOTZYVGODDDJI-CKEIUWERSA-N	247.426	4.738	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@H]1C[C@@H]1C(C)C	2317929874	PFVMESWUFJCZSR-IUODEOHRSA-N	249.373	4.653	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)CC1CC=CC1	2318942778	AAOBBEZLJHVKLV-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2320215988	UCSROYZPZBUKFM-OEUWWYETSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)CC[C@H]2CC2(C)C)CC1	2320390369	JLJOYTNYQSFBRX-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc(C[C@](C)(O)CC(C)(C)C)c1	2320636794	PNDRIXKEXQQMJV-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cc(F)cc(CC)c1	2321092602	BUPWZGFLTHGJKU-XJKSGUPXSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@H]2CCC[C@@H]3C[C@H]23)C1	2321635615	ACUYUFLNEKLIGK-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CCC)c1ccccc1	2328212555	IKGFPKMSVFMFHS-RDJZCZTQSA-N	248.410	4.891	0	10	BJAE	
O=Nc1ccc(Oc2ccccc2Cl)cc1	6095414	XSOGUXFVZPOZKN-UHFFFAOYSA-N	233.654	4.530	0	10	BJAE	
CCc1cccc(NC2CCCCCCC2)c1	20556892	GIMNWEYMKJKXEU-UHFFFAOYSA-N	231.383	4.774	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1F	21507739	USSGVAHMMFDHNN-BXUZGUMPSA-N	249.373	4.761	0	10	BJAE	
CCCNc1ccc(C(C)C)cc1C(C)C	36995335	NJPUMDNGGQOTPZ-UHFFFAOYSA-N	219.372	4.755	0	10	BJAE	
Cc1cccc(N[C@H]2CC[C@H]3CCCC[C@@H]3C2)c1	37185372	MRPKRIOICXSKGQ-INMHGKMJSA-N	243.394	4.766	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(Cl)cc1Cl	37196826	AZQSLTCUGRKIQE-VIFPVBQESA-N	246.181	4.984	0	10	BJAE	
CCc1ccc(N[C@H](C)C2CCCCC2)cc1	37212991	RUYLMBBJMDPAQF-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(C)cc1F	68986011	ZUJNBJDFRKFICT-GFCCVEGCSA-N	223.335	4.515	0	10	BJAE	
Cc1ccsc1[C@@H](C)N[C@H](C)CCC(C)C	69635991	HXZJTQPCEAMSIU-CHWSQXEVSA-N	239.428	4.532	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2ccc(C(C)(C)C)cc2)C1	80425998	PMXCTCXJZJHXHV-SWLSCSKDSA-N	231.383	4.585	0	10	BJAE	
Cc1cccc(C(C)C)c1NCCC(C)C	83350157	BYMCWOJQNMFTBK-UHFFFAOYSA-N	219.372	4.576	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)c1ccc(C(C)C)cc1	84400404	QROSPKJWDDTCSJ-CABCVRRESA-N	247.426	4.692	0	10	BJAE	
CCC1CCC(CC[C@H](N)c2ccccc2)CC1	85082808	XJQCJMOCRSXOCA-DQPZFDDXSA-N	245.410	4.683	0	10	BJAE	
CCc1cccc(-c2c(C)cccc2Cl)c1	85389142	AVJOCOJKNVTALP-UHFFFAOYSA-N	230.738	4.878	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCC[C@@H](C)CC1	86879117	GMWRKRPOFDNVHB-RISCZKNCSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCC(C)(C)C1	87773230	MXESKFUKEWYSJU-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)C[C@H](C)Nc1nccc2sccc12	88298562	OTWYHEBZPJJMOC-MNOVXSKESA-N	248.395	4.533	0	10	BJAE	
Cc1cc(F)cc(NC2CCC(C)(C)CC2)c1	91509993	SHZXQRBIDWQDEW-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(CCCC)cc1	97467997	BNGHOYOZGOYFIN-QGZVFWFLSA-N	247.426	4.999	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](CC)CCC1=O	103933242	FLGDPIGFCNHSME-RRFJBIMHSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)C[C@H](C)CC	104010772	FTCZNXOTLWHRDJ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCCC(=O)c1ccccc1	115284810	YPBHDTRUWGVCBI-UHFFFAOYSA-N	232.367	4.866	0	10	BJAE	
CCC[C@@](C)(CNCC(C)C)CC(CC)CC	149103230	RMOYSZVPWQDFEG-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
C[C@@H](C[C@H](O)c1cc2ccccc2o1)C(C)(C)C	159228076	UBLAPCWWGQMULM-AAEUAGOBSA-N	246.350	4.539	0	10	BJAE	
CCCCC[C@H](NCCC)c1ccccc1CC	159526327	WIOSCWZOMBFFJV-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1csc2ccccc12	162085732	WMBRJXHXWZMUCX-RISCZKNCSA-N	247.407	4.727	0	10	BJAE	
C[C@H]1CC[C@@H](NC2CCCCC2)c2ccccc21	163659902	UQVQJSLVRAVOAX-SUMWQHHRSA-N	243.394	4.547	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCCC(C)C)CC1	165633715	UKRIHGDFQQUHEY-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)c1ccc(C)cc1	165800175	ZALPUEBOGQXOMR-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@@H](C1CCC(C)CC1)C(C)(C)CC	167926040	RKAGLQXMECTKMK-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)Nc1nc2ccc(C)cc2s1	169093582	YMRNQMGESKCSOZ-UHFFFAOYSA-N	248.395	4.595	0	10	BJAE	
CCCC(CCC)[C@@H](NC)c1ccc(C)cc1C	211833349	UQCTUVGZGDFKFX-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CC(F)(F)C1(c2ccccc2)CCCCC1	220458079	PXPUNCOOJZFUTK-UHFFFAOYSA-N	224.294	4.544	0	10	BJAE	
CC[C@@H](NCC[C@@H]1CCC[C@@H](C)C1)c1ccco1	226856731	XXALQYFOWSRINF-QLFBSQMISA-N	249.398	4.537	0	10	BJAE	
CCCCC[C@@H](C)[C@@H]1CNc2c(F)cccc21	232955019	HMDWWZKFVLRQTJ-YPMHNXCESA-N	235.346	4.551	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@H]([C@@H]1CCC[C@@H](C)C1)CN2	235442861	QLRSCXGXBMAGMV-XFJVYGCCSA-N	243.394	4.639	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC[C@H]1NCC	251372483	QSHWGFGVZJVTHI-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
C1CC[C@H]2[C@@H]3CCC[C@@H]4CCC[C@@H]([C@H]34)[C@H]2C1	263589131	FEBHUAJIEVOXIJ-HUSLANRSSA-N	218.384	4.639	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@H](C)[C@H]2C)ccc1C	302283928	JLZAQSFPBWWDOL-DXCKQFNASA-N	245.410	4.794	0	10	BJAE	
CC(C)C1CCC(N)(CCC2CCCC2)CC1	305898216	UECYVSBLJMIEBJ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)/C(=C\C1CCCCCCC1)CNC1CC1	305975775	ZSSFDVDAGOHSEG-VBKFSLOCSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(N[C@H]2CCCCC2(C)C)ccc1C	306012718	MOAGTDNZVCROBV-INIZCTEOSA-N	245.410	4.938	0	10	BJAE	
CCC[C@@H](CNCC(C)C)C[C@H](C)CC(C)C	306017191	XREVUYURKKNRGM-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CCOc1cc(Cl)c2c(Cl)csc2c1	306575409	JLYCACYIRKJYFJ-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)c1ccc(C)s1	308050938	GSIBNZMLPGOVEN-TZMCWYRMSA-N	239.428	4.519	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H](CC)CC(C)C)C1	308057763	SARZBEHPSIRSKU-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@](C)(O)CC1CCC(C)CC1	309486752	YIBHCKOSQSYHKO-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CCC[C@](N)(CC2CCC(C)(C)CC2)C1	310186499	XQUZXJUAJBTNDA-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@@H]1CC1(C)CCCC1	311122783	HLEFXSZXSSMVSO-CZUORRHYSA-N	243.394	4.630	0	10	BJAE	
CCCCCC[C@@]1(O)CCCC12CCCCC2	313042127	LSMAPOXDKIZNSG-MRXNPFEDSA-N	238.415	4.822	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)c1cc2ccccc2s1	319546000	IVFKFNGOSUHTHC-ZIBATOQPSA-N	247.407	4.583	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C1CC1)C(C)(C)C	324301917	UOAQKDITDYUYOM-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCCC12CCCC2	328061931	BOBMZAUQSKGVFA-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CCCC[C@H](C)NCC1CCC(C(C)C)CC1	379949623	ZQQVUUZFILUKQH-FHERZECASA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](O)CC1CCCCC1	383892666	VCDBSQVMLREUCK-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@](C)(CC)CC1CCC(C)CC1	383913574	PQSJUNFJAGTZFZ-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H]1CCCC[C@H]1C	384519027	JKGASNLECXVAGQ-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1C[C@H]1CC(C)C	387784380	DYZCABSRGDPRIM-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
Fc1ccc(NCCCC2CCCCC2)cc1	395176793	PEUZMRGMRNRBEL-UHFFFAOYSA-N	235.346	4.598	0	10	BJAE	
CCC[C@@]1(C[C@@H](C)C2CCC2)CCCCCN1	398617108	CQUJXDPMHKYPNK-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC1([C@@H](N)CCC2CCC2)CCCC1	398942087	WPDRKMSMSZIALO-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CC[C@H](CNC)[C@@H](CC2=CCCC2)C1	400651146	QENTZZBQBJMZOL-DJIMGWMZSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CC(C)(C)C)c1coc2ccccc12	404678527	HCYMYLLMKLSAIO-CQSZACIVSA-N	245.366	4.520	0	10	BJAE	
Cc1ccc(CNc2cccc(C3CC3)c2)s1	690164761	QXNDGPDQZLQLOR-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CC(C)C1CCC(N)(CCC2=CCCCC2)CC1	690297593	ABSVPUZWOMZVHQ-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CCCC(O)(CCC)c1ccc2sccc2c1	691823912	OLZQVXVFGVVBRY-UHFFFAOYSA-N	248.391	4.689	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@H](C)C1CCC1	692761569	UASXTUYDBWJNGS-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC(C)(C)CC(F)F	694086516	ICBDEAWKVJRDDW-LBPRGKRZSA-N	249.389	4.602	0	10	BJAE	
CCC(C)(C)CC[C@@](O)(CC)c1cccc(C)c1	696681228	AGODDVLCSFKOIA-KRWDZBQOSA-N	248.410	4.809	0	10	BJAE	
CCC(C)(CC)[C@@H]1C[C@H](C)c2ccccc2N1	701141194	WMSXIBDUBYLEBB-WFASDCNBSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@H](CC)CC(F)F	701538894	NUTOPIWTVWOVHY-AVGNSLFASA-N	249.389	4.602	0	10	BJAE	
C[C@H](CC(=O)[C@]1(C)CC1(C)C)C1CCCCC1	702198303	PPQKTQZVLHJANH-WBMJQRKESA-N	236.399	4.598	0	10	BJAE	
CC(=O)c1cccc(-c2ccc(Cl)cc2C)c1	708461681	ORLXGYPXVAAIPL-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@@H](C)CC(C)(C)C	709174701	FHCRZGCGLPOUJB-CHWSQXEVSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(O)CCCCC[C@@H]1C(C)C	709209259	CHLUUHYNACYPRL-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)[C@@H]2CCCC3(CC3)C2)C1	710141607	RNJGBDFWHIXRAV-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](NCC)C12CCC(CC1)CC2	710304681	HYJHFKUVJDYGSW-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(N)C[C@H](C)C(C)(C)C)c1	710756475	CDUCIEPTKMUTLP-YOEHRIQHSA-N	247.426	4.550	0	10	BJAE	
C[C@H](C[C@H](F)c1cccc2c1NCC2)C(C)(C)C	711131402	WYTJGNGFVGQMDW-RISCZKNCSA-N	249.373	4.738	0	10	BJAE	
C[C@H](Cn1ccc2cccc(Cl)c21)C(C)(C)C	711145990	JLLMJAVJJFONMZ-LLVKDONJSA-N	249.785	4.977	0	10	BJAE	
CCCNCC(CC)(CC)C[C@H](C)C(C)(C)C	711171398	HILSCMDMFFCBBT-AWEZNQCLSA-N	241.463	4.865	0	10	BJAE	
C=C/C=C\CC[C@H](CC1CCCCCC1)NCC	713760184	GBAWPTQVKVBMQD-KEGWNNHHSA-N	249.442	4.847	0	10	BJAE	
C1CCC(CN[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1	714303070	IHONOZVTAPLHMM-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCc1cc(Cl)cc(Cl)c1	714549418	DLBJPILETJMTAI-NSCUHMNNSA-N	215.123	4.502	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)[C@H](C)CC(C)C	720358989	OEUKGESWNPJUQG-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC1[C@@H]2CCCC[C@@H]12	720952396	CDIFUNOVOWTHEZ-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)n1[C@H](C1CCCCC1)C1CC1	723849331	SZLLNFHLYIHPLK-MRXNPFEDSA-N	231.383	4.636	0	10	BJAE	
CCC[C@@H](N[C@@H](C1CCCC1)C1CC1)C1CCC1	723959759	LICASQPMQDDJTJ-SJORKVTESA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CCNC1CCC2(CCC2)CC1	1203352463	VSOPBCMJTIUBOH-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCC1(NC[C@@H]2CCC[C@H](CC)C2)CC1	1461816033	YRRQTHRKLIRRJV-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CN(C)CC1CCCCCC1)C(C)(C)C	1560127438	OSCRBMAVAFXQAR-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCC1(C)CCC(NCCCCC2CC2)CC1	1560970250	OZFFEOITPQMVMY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)Nc1cc(OC)c(C)cc1C	1621280574	BSVRSQSEUFJSFY-UHFFFAOYSA-N	249.398	4.693	0	10	BJAE	
C=C/C=C/CCSC(CC)(CC)CC	1641057697	DPMDGJPMWAOCQH-MDZDMXLPSA-N	212.402	4.821	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1CCCCCC1	1901061631	UQWUXYILIOPJHO-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)CC(=O)CCC1=CCCCC1	1901688243	GERSNEZWGMBHGX-ZDUSSCGKSA-N	222.372	4.662	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1ccc(Cl)cc1F	1901710805	TUJRUJVXEZSOBX-ZJUUUORDSA-N	243.753	4.572	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@H](C)[C@@H](C)C(C)C	1901726172	CFTFFRUUMMAQDK-ZNMIVQPWSA-N	227.436	4.568	0	10	BJAE	
CCNCC(=CC(C)(C)CC)C1CCCCC1	1911800929	JJLUHPVJQYVOMH-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CCC[C@H](C=C(CNC2CC2)C(C)C)C1	1912079940	XLNYTBQOISWSGX-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1NCCC	1916066309	UNVUZFBPBLPDPT-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H]1[C@H](C)C[C@H](C)C[C@H]1N	1916068907	ZPGLAFZPTSHXTK-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CCNC[C@@]1(C[C@@H](C)C2CCCCC2)C=CCC1	1916354026	VQGJBHFQJGUIHQ-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@@](C)(O)c1ccc(C2CC2)cc1	1919982374	YDGHHSWHDWKSAN-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
CCCc1ccccc1[C@](O)(CC)C[C@H](C)CC	1920000600	SOVUTNHAJDGCQD-PBHICJAKSA-N	248.410	4.673	0	10	BJAE	
CCC(C)(C)CCn1ccnc1C1CCCCC1	1923587692	TYJWJAUTGOXUSK-UHFFFAOYSA-N	248.414	4.757	0	10	BJAE	
C[C@H](C(=O)c1ccc(C2CC2)s1)C1CCCC1	1924122864	XXKCCGKFHIFNER-JTQLQIEISA-N	248.391	4.635	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCCC1)C(CC)CC	1925889207	JFCZWHFPQQSSHU-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1sccc1Cl	1928718520	NQJSVZPQRZEQJE-GXSJLCMTSA-N	246.803	4.507	0	10	BJAE	
C[C@@H](CC[C@H]1C=CCCC1)CC(F)(F)F	1932599363	UAFIJDJKODIGIK-QWRGUYRKSA-N	220.278	4.711	0	10	BJAE	
CCC[C@@H](C(=O)c1ccc(Cl)cc1)C(C)C	1936208757	ISVLLKFDRRBRTO-CYBMUJFWSA-N	238.758	4.595	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1[C@@H](C)[C@@H](C)CC[C@H]1C	1940845684	HASKKYYBLMXPNX-XFIYOXNOSA-N	239.447	4.616	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@](C)(O)CC1CCCC1	1940881345	DTDJZYVIUOPRMB-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C(=O)C[C@@H]1CC=CCC1)C(C)C	1941270996	AKOATVVVFLTOGD-HUUCEWRRSA-N	236.399	4.620	0	10	BJAE	
CC(C)CCC[C@@H](C)NCCCCCC1CC1	1941581727	NSKMXQNCFOEHJP-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](NC)C(C)(C)C1CCCC1	1944642970	ZNHQBZSRNCPDID-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC[C@H]1C)CC(C)(C)CC	1944847133	VBHUHTSWGHLGAL-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@H](C)CC(C)C	1948981473	TZYNPBUEQLFUMR-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@](C)(N)CC1CCC=CCC1	1949081048	DFDXKYTVUNXHDK-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CCC(=O)CC1CCCCC1	1949916412	KSGDLYUUCNSMJS-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CC[C@]1(CO)CC12CCCCC2	1950599421	OECCODLGDIIPIY-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CC2CCCC2)CC1	1950922670	PJUKUKZDPONTAY-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)c1ncc(C(C)C)s1	1960044092	LJFOEHURDURDJE-NSHDSACASA-N	225.401	4.950	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C)CCCC(C)C)C1	1963181784	FSBCHGLQFAEXKH-AWEZNQCLSA-N	239.447	4.760	0	10	BJAE	
CCCC(C)(C)CN[C@H](CC)c1ccccc1	1973173823	VZLZRCCAAGTHCM-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
CCC1([C@@H](N)CCCCCC(C)C)CCC1	1988425959	RZQGLZAOKIFKHN-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](CC)CCCCC	1990094637	XMPIPDWNYVVQCO-HUUCEWRRSA-N	227.436	4.904	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)C(C)(CC)CC	1995262505	NWSQJUIFAZTKIH-ZIAGYGMSSA-N	227.436	4.747	0	10	BJAE	
CC(C)Cc1csc([C@@H]2CCC(C)(C)C2)n1	1995448276	ITTYEIPYHHPLGV-LLVKDONJSA-N	237.412	4.635	0	10	BJAE	
c1sc(C2CCCCCC2)nc1CC1CC1	1995469686	NOYZVCXQTJNKCS-UHFFFAOYSA-N	235.396	4.533	0	10	BJAE	
CCC(CC)N(CC)[C@@H]1CCC2(CCCC2)C1	1995895320	DSQTYOSBLCWKEM-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CCCCC[C@](O)(CC)C1CCC(F)(F)CC1	1996554652	TYZNJDIBCQOMBM-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)C1CCC(C)CC1	1996555107	QDVOGCPYACDBPD-CIDNJEQPSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1csc2ccccc12	1996613888	XGCHDHIIXLQSPK-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
O[C@H](CC1=CCCCC1)C1=CCCCCCC1	1998388315	ZIVBWIZCTAACKQ-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2CCC=CCCC2)CC1	1999983241	KJAKQAVSESAACB-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCC1([C@@H](O)[C@@H]2CCCC(C)(C)C2)CCCC1	2000025842	YECLQRZNGPWKHT-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CN(C)[C@H](C)C1CCCC1)CC(C)(C)C	2002932108	JPZOMAICSSGWEA-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCNC[C@]1(C(CC)CC)CCCC(C)(C)C1	2002971987	MLFJFJZZACLENF-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC1(C[C@@H](N)[C@H]2CCCC(C)(C)C2)CCC1	2002978361	HOVHCLOWNSOGKN-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@@]1(CN)CCCC(C)(C)C1)C(C)(C)C	2002983892	NGFXNOQHWTVWJF-BBRMVZONSA-N	239.447	4.604	0	10	BJAE	
O=C(CC[C@H]1CC=CCC1)c1ccccc1Cl	2003683597	PYCORSOQBUSFHZ-LBPRGKRZSA-N	248.753	4.659	0	10	BJAE	
CCCCCC[C@H](CC1CC(CC)C1)NCC	2007746796	MWBIGSKMTOPQJC-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(N)(C=C2CCCCC2)CC1	2007965285	CAZMZANDMDWBPW-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1CCCCC1	2009634801	JIDAIAQHXYELAO-WMHVBEDNSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)C(C)(C)C(C)(C)C)CC1	2010762803	JRTJWWVTZWYANF-GXTWGEPZSA-N	237.431	4.523	0	10	BJAE	
C=C=CCC[C@H](NCCC)c1cccc(Cl)c1	2010989456	RLIRLTHSAZJALP-HNNXBMFYSA-N	249.785	4.502	0	10	BJAE	
CC[C@H](C(=O)CC12CCC(CC1)CC2)C(C)C	2012804432	SBELRXOLCHTSGY-BBBYJDLNSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C1CCCCCC1	2013312640	UXLRJFJNBPZDRW-OAHLLOKOSA-N	239.447	4.856	0	10	BJAE	
CC(C)C[C@H](C)CC1(O)CC(CC(C)(C)C)C1	2014669835	VGVWICHCSXKVGQ-HLIUYOAVSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C(=O)CC1(C(C)C)CCC1)C(C)C	2017124587	HLGGEDGSXMAEON-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC1(C(C)(C)C)CCC1	2017139948	BKNMSQVLIWILGO-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC12CCC(CC1)CC2	2017798361	NQNMOKXTTAVSQU-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](NC)C2(CC)CCCC2)CC1	2019006180	NDEIZLAWTKJCIT-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@@H](C)CCC(C)C	2019201098	RAYJPVMWPVUQML-XHSDSOJGSA-N	239.447	4.712	0	10	BJAE	
CC1(C[C@H]2CCCC(C)(C)[C@@H]2N)CCCCC1	2020361360	OXQRNEXITPTXBB-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)cc(-c2ccc(N)c(C)c2Cl)c1	2023975321	DVJJLMPONOKVJG-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCCC(C)(C)C1)CC(C)C	2024094900	NLHJLMYYQSEVPM-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H]1CC(C)(C)CCC1=O)CC(C)(C)C	2024124991	RLAMBBCMYDBGSO-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@@H]1[C@@H](C)CCC[C@H]1NCCC	2024509142	FGLFNCWGDIMNBS-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CSc1ccccc1N[C@H]1CC[C@@H](C(C)C)C1	2025573874	AMGVNFSGHRPAGE-OLZOCXBDSA-N	249.423	4.645	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@H](C(C)C)C1	2025587164	CUHDWAFJCLSLIR-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CC1(CC)CC1)NC	2026164251	RGXDIYIAADQCPW-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@H]3CCC[C@H]2C3)c(Cl)c1	2026245675	VWLVOJISDBTOQO-HUBLWGQQSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)C[C@H](N)Cc1ccccc1C(C)C	2027515292	OLPCUHXBTXQMJV-OAHLLOKOSA-N	247.426	4.506	0	10	BJAE	
CN(CCCC1(C)CC1)[C@H]1CCC12CCCCC2	2027808441	SLHQOEKGYJNZSR-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(C(=O)CCC[C@H]2CC2(C)C)cc1C	2027844162	XKFXBBFEONQZEH-HNNXBMFYSA-N	244.378	4.703	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1C)[C@@H](CC)C(C)C	2028253603	YIUPOXQXYYQZDI-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CN[C@H](c1ccccc1C)[C@@H](CC(C)C)C(C)C	2028255121	NIEIWVCHLCVMAF-DLBZAZTESA-N	247.426	4.574	0	10	BJAE	
CCN[C@H](CCC(C)C)c1ccccc1C1CC1	2028549083	JWEZJPNMTVFEBJ-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
O=C(c1cccc(C2CC2)c1)C1CCCCCC1	2028557643	PHSZFYBFLCNVEO-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC1(CN2CC=CCC23CCCC3)CCCCC1	2032660616	FJUWJBLADQGNAX-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
O=C1[C@H](CCC2CCCCC2)C[C@H]2CCCC[C@@H]12	2034264572	QWTKHKNOLXYOPL-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC1CCCC1)c1c(C)coc1C	2035532722	HMIAPOLEEFZIOG-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CC(C)NCC1(CC2(C)CCCC2)CC2(CC2)C1	2036198544	VWEYNJKOKFMMML-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC(C(=O)c2ccccc2C2CC2)C1	2036479188	YTMAWHUEIHURDW-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC1CC2(CCCC2)C1	2036540516	BRWVFDRLVDGDBW-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)C2CC3(CCCCC3)C2)C1	2037685164	DZPZDYOUGGOPHE-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@H]1CCC2(CC2)C1	2038568407	PYOOXSUEQUGREO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NC2C[C@H]3CCC[C@@H]3C2)CC1	2038619855	VDXUBGGGZZDVNX-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@]2(N)CCCC23CCCCC3)C1	2040165748	KHPLWVZAJFUTBT-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC(C)NC[C@@H]1C[C@@]12CCCC1(CCCCC1)C2	2040764491	CYKPLUJDEMDKLF-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)C1(C)CC=CC1	2042021858	LXOVMQIDBRQYCC-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@H]1CCC=CCCC1	2045318315	UOAPECBWJCVTMR-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CC(C)=C[C@H](C)C2)CC1	2045560422	NSTQNMHNRXSZOE-MFNGEMCRSA-N	248.410	4.764	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)CC1CCC=CCC1	2045993188	CMAIKHBLSDOEFQ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@@H]1CC12CCCCC2	2047058225	HKHQNGDZBGXPDD-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048366806	UBRGHZBYGMZPRN-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048441863	RJUTVRXGJANKFN-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048444159	YRAPBFVVVORVNS-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@H]2CC23CCCCC3)CC1	2049636204	HCNQNYKYIFZJKF-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CC1CCC(CN)(CC2CCC3(CC2)CC3)CC1	2049858837	VZLDLDCDSFOAOI-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
Cc1ccccc1[C@@H](O)CC[C@H]1C=CCCCC1	2050438324	KBNFMBDCUINGBB-RDJZCZTQSA-N	244.378	4.555	0	10	BJAE	
Cc1cccc([C@@H](N)CC[C@@H]2C=CCCCC2)c1	2050448280	BOALTMLINMMWIZ-WBVHZDCISA-N	243.394	4.521	0	10	BJAE	
CN(C1CCCCCC1)[C@H]1CCCCC12CCC2	2053428062	YZGNFLRUUAKHFL-INIZCTEOSA-N	249.442	4.754	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CC2CC(C(C)(C)C)C2)C1	2054979106	AYOXVGGWPVXONC-ARAOSMHQSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](N[C@H]1CCCC(C)=C1C)C1CCCCC1	2055539840	KECIUIKWUQEMKA-IRXDYDNUSA-N	249.442	4.824	0	10	BJAE	
O=C(CC1CC(C2CC2)C1)C1CCCCCCC1	2056666264	OPXRWVFIUJVBMA-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1CCC(N)(C=C2CCCCC2)CC1	2056921445	ZRWSNVZDRZLKLR-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CCC1(C)CC(N(C)C[C@@H]2CCC=CCCC2)C1	2058851774	FXLBGQKUGAYWCD-KLAILNCOSA-N	249.442	4.633	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCCCC12CCCCC2	2059198093	KRIIBWFTZKAHKQ-YATRRXNKSA-N	249.442	4.955	0	10	BJAE	
C/C=C/CCC[C@@H](NC)c1ccc(C2CC2)cc1	2059262641	NSGZGMWENGGWCL-REMYHPOOSA-N	243.394	4.571	0	10	BJAE	
CCCCC1CC(N(C)C[C@@H]2C=CCCCC2)C1	2059483033	KQLNDIXMBFHJSW-KLAILNCOSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C)CC1)C1CC(C)(C)C1	2060924924	HMLSAVISHCTUKH-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC([C@H](N)C2=CC[C@H](CC)CC2)CC1	2061097163	ACWPNZHTEFHTNH-VFNXUKNFSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C1=CC[C@H](CC)CC1	2061147215	MPORNTMUHUDBJJ-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@H](NCC)[C@]1(C)CC[C@H](C)C1(C)C	2061560842	KSQHEVZHLYTBPN-ZOBUZTSGSA-N	249.442	4.548	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CC[C@@]12CCC[C@H]1C2	2061611782	ITMTWSJZKVTYOM-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](N)CC1CC(=C2CC2)C1	2061729811	ANMQANBBPCZJGA-DLBZAZTESA-N	249.442	4.523	0	10	BJAE	
N[C@@]1(CCCCCC2CC2)CCCCCC12CC2	2062021479	VOGKWZZMXFGWSZ-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCc2ccoc21	2062958086	XBQRVEPROZKOTH-LSDHHAIUSA-N	249.398	4.606	0	10	BJAE	
CC1CCC(C[C@@H](N)C23CCCC2CCC3)CC1	2063811820	DACCCVSMXCLDGT-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@]1(CC23CCC(CC2)CC3)CCCN1	2065308265	NZUNUOORTFCUHC-PREGVCBESA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@H](C)c1ccc(CN)cc1)CC(C)(C)C	2067352428	JSAIGGMKECPCPW-KBPBESRZSA-N	247.426	4.711	0	10	BJAE	
C[C@@H](NC[C@@H]1CC12CCCCC2)C1(C)CCCC1	2067507612	DBDHEMNAAGTMSA-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CC=C(C2(N)CC(C(C)(C)C)C2)CC1	2067987094	RODXCMXOZZWBHJ-KTAKPFMOSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068710815	NPZFCNZKGLUMJO-XMQYKBBCSA-N	248.410	4.598	0	10	BJAE	
c1cc(C2CCC2)ccc1NC[C@H]1CC12CCC2	2069202515	PBFTXGCRDQSGBA-OAHLLOKOSA-N	241.378	4.556	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C	2070400899	ZJXYWIMFPSDCIG-YHUYYLMFSA-N	249.442	4.536	0	10	BJAE	
CCCNCC1(C[C@]23CCC[C@H]2C3)CCCCC1	2070962825	LQVRLZPTDNOHBK-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC(C)C1(C[C@@H]2C[C@H]3CCCC[C@H]3C2=O)CCC1	2071926586	QYJJZZNTBDAOMM-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(CC2CCC3(CC2)C[C@@H]3N)CCC1	2071944893	BEBDBFJEEMKIOT-BBBYJDLNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(=O)CC1CC2(C1)CC21CC1)C(C)(C)C	2072230461	ZOFVNKQVGRBSJJ-POZPTJLLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1c(C)oc(C)c1C	2072416000	BABWWBDJRUIKHZ-MRXNPFEDSA-N	249.398	4.602	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](NC)[C@H]2C=CCCC2)CC1	2072793797	NVHHJVOFTHGRER-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1=CCCC1)[C@H]1C[C@H]1C1CCCCCC1	2079478411	WMWLYSJODOPTKI-HOTGVXAUSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)C[C@@H]1C[C@@H]1C1CCCCC1	2079670117	KVAFBGVELKPPPF-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN(CC(C)C)c1ccccc1	2079891819	WEJGOYMBQPWWPK-HZPDHXFCSA-N	245.410	4.585	0	10	BJAE	
CN[C@@H](C=C1CCC1)C1CC(C)(C)CC(C)(C)C1	2080256923	PDXORAWKOXIFQI-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(CC(=O)CC2C[C@@H]3CCC[C@H]3C2)C1	2085001948	TVRSPTRVAGMCRW-BGHVQYPCSA-N	248.410	4.598	0	10	BJAE	
C1=C[C@H]2CC[C@@H](C1)[C@H]2Nc1ccc2ccccc2c1	2104385093	WBCIBAGBHOLACX-DAYGRLMNSA-N	249.357	4.606	0	10	BJAE	
CCCCC[C@@H](N)CCCCCCC1CC1	2210524448	CCGCEHZERMQPIR-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
Fc1ccc(NCCCCCCC2CC2)cc1	2213582557	JCESEMRQOGDZJL-UHFFFAOYSA-N	235.346	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@@H](N)C2CCCCC2)C1	2214766478	YJNVQFBPWDJCME-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)CCC1CCCCC1	2215260346	XREQFMYVDWNNAP-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@@](CN)(C[C@H](C)CC(C)(C)C)CC1	2215832166	BHVNZEHVYNSYCV-ZBFHGGJFSA-N	237.431	4.524	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)CCCCCCCC1CC1	2216879334	IEJSLNQCPJPGFS-VIKVFOODSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H]1NCCCCCCCC1CC1	2216899232	UDLXSZHQZKPHAY-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC(C)C)CC1CCCC1	2217140941	KVXLAQRTMSEZOW-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@]1(C(C)C)CCC=CCCC1	2217155758	FMXKDEYAAZFVRD-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(=O)C1C[C@H]2CCC[C@H](C1)C2)C1CCC1	2218334880	OEECNUMOKNECOB-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218385690	OFJNQXOMTZCKCE-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2CCC(C3CC3)CC2)CC1	2218897000	PIDSBUGMARMOGQ-CRYBEJKASA-N	249.442	4.514	0	10	BJAE	
CCC[C@](N)(CC=Cc1ccccc1)C(C)(C)C	2219092187	DRJDJXXNMVGIML-KRWDZBQOSA-N	245.410	4.634	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)[C@@H]1CC=CCC1	2220044421	FKXVXAOJDNGQMA-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CCOc1ccccc1C(C)(C)C	2220965394	ZGOJXJKJPZPVBJ-ZIAGYGMSSA-N	246.394	4.799	0	10	BJAE	
CC1(C(=O)CC2CCC=CCC2)CC2(CCC2)C1	2220998738	FDSKIJJUHIYODE-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC1=CC[C@H](CNCC2CCC(C)(C)CC2)CC1	2221668458	PCMLLRBELDMFQI-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
O=C1CCC[C@H](C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2222953713	DPPWFGXFAJKBEC-QKPAOTATSA-N	248.410	4.742	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CC[C@H]2C[C@@H]2C1	2223154314	ITZVOEUATWHEHS-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CCC1(C)C	2243196613	CISVJBSLXWARCM-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
O=C(c1cc2sccc2s1)[C@H]1C=CCCC1	2246040108	SSZUDVJYENPZRF-VIFPVBQESA-N	248.372	4.502	0	10	BJAE	
CC1CC(C)(C[C@@H]2CCCCCCC[C@@H]2O)C1	2246443763	OADVEOCXMCWKNM-PYBGIAKNSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC(=O)CC[C@@H]1CCC[C@H](C)C1	2246679370	NWYNLZHFRDQJLN-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CC[C@](O)(CC[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	2246688438	URTLPUQFTVOKOR-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(NCCCCC[C@H]2C[C@H]2C)c1	2248866613	QNCKTXHUSDZTTR-CABCVRRESA-N	231.383	4.623	0	10	BJAE	
CC(C)CCCCNCCCCC[C@H]1C[C@H]1C	2248867021	SRIXBLQYRNYORN-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1CC(CCN)C1	2250469483	PEVOQJXSIUIBJM-FHERZECASA-N	239.447	4.604	0	10	BJAE	
Cc1ccc(-c2nc([C@@H]3CC3(C)C)cs2)cc1	2252753984	HFXKCMZNYQIXFX-LBPRGKRZSA-N	243.375	4.632	0	10	BJAE	
CCC1(C[C@H]2CCc3cccc(C)c3N2)CCC1	2253864774	OFNVWQXOCHVITM-OAHLLOKOSA-N	243.394	4.692	0	10	BJAE	
CC(C)(NCC[C@H]1CCCCC12CC2)C1CCC1	2253882677	YYVPCKKGZREQCA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)[C@@H]1CC12CCCCC2	2254585176	MLHMRCCHNPJNHT-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@H]2C[C@@H]2C)cc1C	2254596338	VGHGMFKYSDSSRK-YQQAZPJKSA-N	245.410	4.520	0	10	BJAE	
CC1=C(C)[C@@](N)(CC[C@@H]2CCCC23CC3)CCC1	2255266878	CPYBROVBNFSUIY-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@H]2CCCC23CC3)C1	2255328920	KOQSBRDJUFWYPQ-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H]2CCC2(C)C)cc1	2256238983	RVEBZBWFFUGVDR-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CC(C)c1ccc2[nH]c([C@H]3CC34CCC4)cc2c1	2256462788	CQMMTVQSPNQENO-CQSZACIVSA-N	239.362	4.949	0	10	BJAE	
CC(C)CC[C@H](C)Nc1cc(C2CC2)ccc1F	2259127624	UNHVXMABASNFTA-LBPRGKRZSA-N	249.373	4.940	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1cc(C2CC2)ccc1F	2259127732	UVKPGZQWTJIFHL-NSHDSACASA-N	247.357	4.694	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc(CC2CC2)cc1	2259437913	NNOQPKADKHXXTM-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@@]12CCC[C@H]1CC2	2260586820	JQJSOJZSGBFAKY-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(N)(C[C@]23CCC[C@@H]2CC3)CC1	2260671467	MRQNSSFAEADNLT-JCCCHCCOSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc2ccn([C@H](C)CC3CC3)c12	2298936902	USIBSMJUZBMTCO-GFCCVEGCSA-N	227.351	4.565	0	10	BJAE	
CCC(C)=CC[C@]1(CNC)CCCC(C)(C)C1	2300861500	SEZXPHQAIUWREN-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(=CC[C@@H]1CCCCCN1)CCCC(C)C	2300907575	UUSWMHWVDTUSKV-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301143843	XRTMPWKMWHGKJR-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H](C)[C@@H](C)C(C)C	2301827311	AIJWGWVVPPBXEC-LZWOXQAQSA-N	241.463	4.719	0	10	BJAE	
Cc1cnc2ccccc2c1-c1ccsc1C	2302248927	HMFWRDQADOHXQY-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)c1ccsc1	2302362293	XNVDSUNEFQRCBF-OAHLLOKOSA-N	249.423	4.679	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)CC[C@@H]2CC2(C)C)C1	2302879646	CGBAQSRZRNDMOZ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1N[C@@H](CC)c1ccccc1	2302886659	ILODBGIJLFRJGY-AWEZNQCLSA-N	245.391	4.874	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCC(C)(C)C1)CC(C)C	2302899993	SICBDYVVGIXIHM-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)CC[C@H]1CC[C@@H]1C1CC1	2303130336	XBBNDWHXJVHECT-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1CC[C@H]1C(C)(C)C	2303505150	DGFQEMDDVRAFOY-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@H]1CCC(C)=C(C)C1	2303520090	AECXFIOGXQXTJT-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC(C)=C(C)C1)C(C)(C)C	2303583076	JMQGSJJFBFFPBD-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1CC[C@@H]1CCC(C)(C)C1	2304422332	HIRJYTFLNMBXDQ-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC[C@H]1CCC(C)(C)C1	2304433261	AEVZAOPDBOMYSM-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)CC[C@H]1CCC(C)(C)C1	2304440049	OSGZGELHPDUREN-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CNC)CCCC1(C)C	2307894794	NSZHWUIAAOPGKG-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCC[C@H](NCC)C1	2307908254	OULUPBKOWVZHPB-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC=C(CC)[C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NCCC	2311328743	SKRQBQCLKIBXPL-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
Cc1oc(C)c([C@@H](N)CC2CCCCCC2)c1C	2317010271	NPAJGSMLJQGFGJ-HNNXBMFYSA-N	249.398	4.565	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317143356	NVHMEOSHDMMQQI-LVQVYYBASA-N	249.442	4.523	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@H](C)C(C)C)c1ccccc1	2317631276	WVWFXYUOJOLZSP-INMHGKMJSA-N	247.426	4.798	0	10	BJAE	
C1=C(CCCN2CC[C@H]2C2CCCC2)CCCC1	2318575418	FCRJHUGHRQVJFK-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
CC[C@@H]1CC[C@H](N(C)C[C@@H]2CCC(C)=C(C)C2)C1	2320390937	ORUXMMAHKWAGJR-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2320393829	JTKYEJUQOPSZCF-JONQDZQNSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@H](CNc2cc(C)cc(F)c2)CC1	2320414381	YALBMHUUCIBNEC-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CC(C)(C)[C@@H]2C)c1	2320567487	KMUAXHRQWREAGN-DOMZBBRYSA-N	244.378	4.675	0	10	BJAE	
CCC[C@@H](CC)CN1CCC[C@H]1c1ccc(C)o1	2328097916	QCIAFGLLBKSITQ-CABCVRRESA-N	249.398	4.551	0	10	BJAE	
CCC(C)(C)c1cc(O)cc(C(C)(C)CC)c1	5818940	YNLSUGSZSCLCRF-UHFFFAOYSA-N	234.383	4.767	0	10	BJAE	
CCCCCCN[C@H]1CCCCc2ccccc21	21013328	HRIVAIHFSIOQTK-KRWDZBQOSA-N	245.410	4.624	0	10	BJAE	
CCCCCCN[C@@H](C)c1ccc(CCC)cc1	21817845	AXYLFQJFMLLMIZ-HNNXBMFYSA-N	247.426	4.870	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2C=CCCCCC2)c1	34454432	UZRONFDGACLHAU-OAHLLOKOSA-N	229.367	4.604	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)c1ccc(C)cc1C	35468104	HNCCXEUYXNAYOT-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@H]2CCCC[C@@H]2C)c1	36862390	FSMHKHJMVWMIPA-UXLLHSPISA-N	245.410	4.533	0	10	BJAE	
C[C@@H](N[C@H](CC(C)(C)C)c1ccccc1)C1CC1	37128586	MCCVOPXETPQGFB-CZUORRHYSA-N	245.410	4.552	0	10	BJAE	
CCC[C@H](CC)N[C@H](c1cccs1)C(C)C	50402120	FSOGWGKQPAITJF-JSGCOSHPSA-N	239.428	4.614	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccccc1OC(C)C	69375751	IKUXRQACXHAJIG-CQSZACIVSA-N	249.398	4.855	0	10	BJAE	
CCCC[C@@H](CC)CCCC(=O)CCC	70739378	JKLXGILMQUNAPL-CYBMUJFWSA-N	212.377	4.742	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCC[C@H](CC)C1	85064465	MEQSPTJDYFLSKJ-VGWMRTNUSA-N	239.447	4.760	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CCC[C@@H](C)[C@H]1C	85086728	HANRKHDVUFQBLQ-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
CCCCCCN[C@H]1CCC[C@@H](CCC)CC1	86923295	YUOSNLDSVFKZSO-CVEARBPZSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](Nc2cccc(O)c2)CC1	86923462	LDGFXQFJWXJAOP-ZIAGYGMSSA-N	247.382	4.553	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC1CCC(C)(C)CC1	88508592	DCTRJHLGADQAKT-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCCCCCC(=O)c1ccc(CCC)cc1	97467578	NZOJYQBPLVIYBK-UHFFFAOYSA-N	232.367	4.792	0	10	BJAE	
C/C=C\CCc1ccc(CCCC)cc1	107479064	NOBDFESCEGNGHA-HYXAFXHYSA-N	202.341	4.538	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NC)[C@H](CCC(C)(C)C)C1	109664282	DFIWHHKWAZVIOS-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)C1CCC(C)CC1	109737568	UURQNMSPBWPPBI-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)c1ccccc1	110209824	MLFVXSQRWKVGKK-QGZVFWFLSA-N	247.426	4.523	0	10	BJAE	
CCc1ccc(Cn2c(C)cc3ccccc32)cc1	111550498	SEAUCYIVHWDCKE-UHFFFAOYSA-N	249.357	4.560	0	10	BJAE	
CC[C@@H](C)[C@H](C)NC1CC(C)(C)CC(C)(C)C1	124778890	JGZRBVWGSDXYJR-OLZOCXBDSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@@H](CNCCC)C1CCCC1	128238364	VLKZIHDBRZAJSV-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](C)Cn1ccc2c(Cl)cccc21	129833118	JVEYTTCALHQSHV-LLVKDONJSA-N	235.758	4.731	0	10	BJAE	
CC(C)c1cnc(-c2ccc(Cl)cc2)s1	132174503	KJVXKFWSRNGKGL-UHFFFAOYSA-N	237.755	4.587	0	10	BJAE	
C/C=C/CCN[C@H]1CCC[C@H](C(C)(C)C)CC1	161701006	OPQARDZATPOVDG-WHJWBVKISA-N	237.431	4.537	0	10	BJAE	
CCCNCC1(CCCC(C)C)CCCCC1	166074880	DIIAQOVNUGIEPT-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)[C@H]2CC(C)(C)[C@@H]2CC1	166995225	SITKOPDZOGHVLY-AAVRWANBSA-N	208.389	4.885	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1cccc(Cl)c1	168975473	HZPBUMHKHQXABF-SMDDNHRTSA-N	240.774	4.590	0	10	BJAE	
CCCCCCc1ccc(F)cc1Cl	201803670	QNKCCKSAHLDLMW-UHFFFAOYSA-N	214.711	4.602	0	10	BJAE	
C[C@@H]1CC(CC[C@@H](N)c2ccccc2)C[C@H](C)C1	220380500	IKJOGECLVIWDQC-KJFZJZGVSA-N	245.410	4.539	0	10	BJAE	
CCCN[C@@H](c1cccc(CC)c1)[C@H](C)C(C)C	228848650	WDFQAEOTFDLKRE-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CCC1(C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CCCC1	229190747	BXLYFEAVZLQCRK-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)c1cc(C)cc(C)c1	229327714	NFWRUVIRTIRROB-XIRDDKMYSA-N	245.410	4.520	0	10	BJAE	
CC(C)C1CCC([C@@H](N)C2=CCCCCC2)CC1	232545427	FOAPDNUIDWUWCP-PREGVCBESA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@@H](c2ccc3c(c2)CCCN3)CC[C@H]1C	235378668	IQFPNOVPDHTQIV-RDBSUJKOSA-N	243.394	4.584	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C2=CCCCCCC2)c1	235882315	GSPPLIIGKOSFJX-QGZVFWFLSA-N	243.394	4.584	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCCC[C@H]2CC)C1	251857205	SJTFPBZOOJYGDG-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](Nc2cccc(Cl)c2)C1	252160455	PTRTVUWBMSVLKZ-YABSGUDNSA-N	237.774	4.577	0	10	BJAE	
CNc1cccc(-c2ccc(C(C)(F)F)cc2)c1	259537813	QSMYTPILCBNSAO-UHFFFAOYSA-N	247.288	4.507	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](c2cccc3c2CCCN3)C1	300115969	KUQUNNLSOMPBDO-WDNDVIMCSA-N	243.394	4.584	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@@H]1CCC[C@H]1C	300282815	IYHXGTVESGHTKO-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@H](C)CC(C)C	300999225	WUOGVYUHPQZWFK-LLVKDONJSA-N	239.790	4.743	0	10	BJAE	
CCCN[C@H](C)[C@H](C[C@@H](C)CC(C)C)C(C)C	302285637	FRPHDRUUQWQSNG-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CCC2CCCCC2)C1	302286255	VYCWJUNWHCPQRL-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1csc2ccccc12	304529146	QGQRXYLTRWIXNO-LLVKDONJSA-N	246.375	4.766	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CCC2CCCCC2)C[C@H]1C	305897442	PWWSMSHVXDCWSM-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C(C)(C)CC	305990221	SSBUYCGBFAYXRK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CSc1c(S)ccc2cc(Cl)sc12	306913269	SWLREEFLGBUQRJ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCCCCN[C@H](c1cccs1)C(C)(C)C	310022248	NXNYYIZSJQFADW-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CC(C)C[C@@H](CNC(C)C)CC1(C)CCCC1	310564252	WVMUYIQGBVLDQT-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)c1cccc2ccccc12	310778778	WUJFYCPERVVYDV-SUMWQHHRSA-N	241.378	4.522	0	10	BJAE	
C[C@@H](C[C@H]1CCC[C@@H](C)C1)C(=O)c1ccccc1	310936212	GBULQDCLFWOPPX-ILXRZTDVSA-N	244.378	4.722	0	10	BJAE	
Cc1ccsc1[C@H](C)NCCCC(C)(C)C	313283400	PENADVLSBMNESP-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@](O)(CC(CC)CC)C1CCCC1	313395363	HJIZVAQBBAENGD-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](N[C@H]1CC[C@H](C)CC1)C1CCCC1	313438232	XBWOTGIPYSEZTA-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@]1(C(CC)CC)CCC[C@@H](C)C1	317438406	XMVRSMBGEHJZGO-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCCCc1ccc(N[C@H](C)[C@H]2C[C@H]2C)cc1	321906148	OQFKGSCDMMNCAE-CPUCHLNUSA-N	245.410	4.876	0	10	BJAE	
Cc1cc(C)c(C(=O)C(C)(C)C2CCC2)cc1C	322323355	QHMPVGYUMJEXGE-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1CCCCCC1)C1CCC1	322708419	QFOHUALPMCPZCS-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](C)CCNC(C)(C)C)C1	379758919	CNILKSLSERYCLO-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
C[C@H](NC1CCCCCC1)[C@H]1CC2CCC1CC2	381596226	FLJNAQYZWGVSLS-PBMMVSLJSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](CCCCCC(C)C)CNCC	383212120	CKLLDXAWTIEQPJ-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](O)CC1(C)CCCC1	384089670	YRUAPPHJSZMOFQ-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(N[C@H](CCC(C)C)C2CC2)ccc1F	385468223	FIAYPIJFTOZHBB-MRXNPFEDSA-N	249.373	4.761	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)CCC1=CCCCC1	385669710	HJMUJZUSEHQBJO-CQSZACIVSA-N	237.431	4.667	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C(C)(C)C(C)(C)C	386809934	NTGCLNRWNZXHMG-OAHLLOKOSA-N	247.426	4.882	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)CCC[C@H]3C	527395801	BZVKCMGSGZIYTM-LLVKDONJSA-N	227.351	4.731	0	10	BJAE	
CSc1ccccc1C(=O)CCCC1CCC1	688896723	ZEVYTSDXYSYNPB-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
C[C@H](CC1CCCC1)Nc1ccccc1Cl	689778429	BZNBMNKGGIUGJG-LLVKDONJSA-N	237.774	4.721	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@@]12CCCC[C@@H]1C2	693247025	TXAGMORUQLPHKQ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCCC[C@H]2C2CC2)c1	696104302	LFPBTZZYDOOQDY-HOTGVXAUSA-N	243.394	4.684	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)C[C@H]2CC=CCC2)C1(C)C	698989863	PYTLINLCIWVDTD-JKIFEVAISA-N	248.410	4.764	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1(C(C)C)CC1	700081770	QYIRCWNXTQQPKJ-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@H]1CCCC12CC2	706297781	BDDWNIJGGFZWMS-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@](N)(c1ccc2sccc2c1)C(C)(C)C	707695434	KAXFZLOPDFKJFC-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CCCC12CCCC2	707766131	CNKCXMLQCFUTOI-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(C[C@H](C)CC(C)(C)C)C(C)(C)C	709125868	AYEXXRHTUORGJQ-DOMZBBRYSA-N	228.420	4.636	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(O)CCCCC[C@H]1C	709157997	ALYFXSOHTUQXCR-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
Cc1cc(N[C@H](C)c2ccc(C)c(C)c2)cs1	710712197	YFBUWHWADMTNJO-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CCCC1CCC(O)(C[C@@H](C)C(C)(C)C)CC1	710744891	ZAXSXJDAOOTPKY-VQCLRJIVSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C[C@H](CC1CCCC1)NC)C(C)(C)C	711097327	ROXNBFAZJDEPQY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(O)CCCC(C)(C)C	713032110	PAWGWMMHCQUNJX-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC(C)(C)C(C)C)CC1	713145271	HPKAFCULOYNJLB-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C(C)C)C1(CC)CC1	713210472	DYPUBDJMCVJSQG-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC[C@@H]2C[C@@H]2C2CC2)C1	714821243	LGLIGJNGSSOHGO-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CC(F)(F)CCC[C@H](O)C1CCCCCCC1	718638735	QPSPVEHWAGCCNS-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCC2)c2ccccc12	720693189	RRWYWLPBZGSPPT-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C[C@]1(C)CC	720953030	MSAPYCWXCNPTQG-OAGGEKHMSA-N	237.431	4.514	0	10	BJAE	
C[C@H](N[C@H](C)CC(C)(C)C)[C@@H]1CCC[C@@H](C)C1	1182387510	GLZNHAOMCJXQQN-APIJFGDWSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Sc1ccc(F)cc1F	1188500671	HNRYQOVIDPTWMO-SKDRFNHKSA-N	242.334	4.636	0	10	BJAE	
C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCC1=CCCCC1	1652530489	QEHGZKFHOXODQQ-OIISXLGYSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H](C)N(CC(C)=C(C)C)Cc1ccccc1	1880369449	PVFJHFZRACWWLZ-MRXNPFEDSA-N	245.410	4.643	0	10	BJAE	
CC=Cc1ccccc1Oc1cccc(Cl)n1	1884276741	JRMWWPZQHNGXPN-UHFFFAOYSA-N	245.709	4.560	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)c1cc(C)cs1	1905441657	AFUAVXSNNBGEOM-QWHCGFSZSA-N	239.428	4.533	0	10	BJAE	
CCC(O)(CC)CC[C@@H]1C[C@H]1C1CCCCC1	1910764445	ACJWGROYNQEGGW-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@@H](NCC)c1ccccc1Cl	1912125740	NIQIVKWWTFILSF-OAHLLOKOSA-N	249.785	4.513	0	10	BJAE	
CC(C)[C@@H](N[C@H]1CCC2(CCCCC2)C1)C1CC1	1915921539	DBKLSCVLRYMIPI-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCC2(CCCC2)C1	1916441123	FUCYECMLBJKBRX-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC1([C@@H](O)CC[C@@H]2CC2(C)C)CCCCCC1	1921552650	DDDOLMOVBKIVDH-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc([C@@H](N)[C@@H](C)C2CCCCC2)cc1C	1924135870	OHQYNZUQKJNPQU-YOEHRIQHSA-N	245.410	4.520	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)C[C@H]1C=CCCCC1	1925947525	BIYQGRJNELKWPE-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)CC(=O)c1cc2cc(F)ccc2o1	1926146356	WBUFTBPIHDPQFW-UHFFFAOYSA-N	248.297	4.581	0	10	BJAE	
CCC(CC)CCNCC(CC)(CC)CC	1926179301	UURSVSDLZQAHMK-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
Cc1cscc1N[C@H](C)[C@@H](C)CC(C)C	1933235291	FWOYARFZMLEUNE-CMPLNLGQSA-N	225.401	4.539	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@@H](C)CCC(C)C	1937172647	COTCLZUMDWJLMR-LBPRGKRZSA-N	240.774	4.852	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccccc1C(C)C	1940617319	XNECVDYRJXHYNV-CYBMUJFWSA-N	232.367	4.819	0	10	BJAE	
C[C@H](CC(=O)CC[C@@H]1CC1(C)C)CC(C)(C)C	1940854649	ZKXAFDKLHDWRGJ-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)CC(C)(C)CC	1940864352	POGAZOFUSOZKJK-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@@H](CC)C(C)C	1941272973	OBDOOARVDOPDLZ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC1(CNC(C)(C)C)CC(C)(C)C1	1941982519	UIPYNIPTTHAXDO-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H](C)CCC(C)C	1942658006	GDAZSQDYALXKAS-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@H](C)CCC(C)C	1942665705	ZWDZSMGWAVVJSN-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC(=O)[C@]12CCCC[C@@H]1CCC2	1944221920	LSQUZIFIUIFRQU-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)C)C(C)(C)C(C)C	1944666548	SEVKFRPKXUXUEO-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
C[C@H](C[C@H](N)C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944820667	SHRGKGIICWKFLT-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(NC[C@@H]2C=CCCC2)cc(C)c1Cl	1947583953	CQMKFLIAPIOLMT-CYBMUJFWSA-N	249.785	4.725	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)[C@@H](C)CC(C)C	1948971618	ZWZGVNITXAJESQ-OFQRWUPVSA-N	237.431	4.523	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@H]1CC2CCC1CC2	1949017161	XQWSHMLLJYRMBW-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](NC)[C@H]1CCC2(CCCC2)C1	1949527688	BRSGYMSEEUJFGK-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(CC2(CO)CCCCC2)CC1	1950370714	FLPBALVTFUNVMY-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCCCCC[C@]1(CN)CCCC(C)(C)CC1	1950919191	NIFHBTPJVAGCLE-INIZCTEOSA-N	239.447	4.892	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@H]1CCC[C@H](C)CC1	1950921697	IBZQFZGTDCLAFP-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@H]2CCC(C)(C)C2)CC1	1950922890	QQKLNJRUQLQZSY-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC[C@H]2C)CC1	1950931430	WYHPXALISQLVEA-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1c(Cl)cccc1Cl	1959204828	ALJILEBLXOQJFI-GZMMTYOYSA-N	244.165	4.594	0	10	BJAE	
CC[C@@H](CNCc1ccc(C(C)C)cc1)C(C)C	1963165865	FZCAKRSBEKXKFQ-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCC[C@H](C(C)C)C1	1963229060	OZKGFBMYOPRHCD-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCCC23CCC3)CC1	1967703387	QKNGKZXEFFFBBN-HWOWSKLDSA-N	249.442	4.658	0	10	BJAE	
c1ccc(-c2ccc(N[C@H]3C[C@@H]4C[C@@H]4C3)cc2)cc1	1968278070	FKVWFTKDZWJEST-ALXJQNPVSA-N	249.357	4.564	0	10	BJAE	
Cc1cccc(C)c1NCC1[C@H]2CCCCC[C@H]12	1968351300	GUWQEOZPQGACBH-GJZGRUSLSA-N	243.394	4.542	0	10	BJAE	
CCC1CCC(N[C@@H](CC)c2occc2C)CC1	1968666042	UQHXMPNEIOIVFV-NRXISQOPSA-N	249.398	4.598	0	10	BJAE	
CCN(Cc1ccccc1C)[C@@H](C)CCC(C)C	1968693595	RTJFXYDPRBKEIY-INIZCTEOSA-N	247.426	4.642	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC3(CCC3)C2)c1F	1969471796	SKMFKSMNZCSVFE-CYBMUJFWSA-N	247.357	4.659	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](CC)C1CCCCC1	1969916748	DERLSQLBRYDLQH-SQWLQELKSA-N	239.447	4.760	0	10	BJAE	
C[C@H]1C[C@H](NC2CC3(CCCC3)C2)CC(C)(C)C1	1972916891	LVZHKJGUGKBJKV-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(N[C@H](C)C23CCC(CC2)C3)CC1	1973850171	VFZXSUXRDUHEAA-CWJHNBGESA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H]1CCC[C@H](C)C1	1990092054	UVBWWMDWIBHUDM-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@](O)(CC)CCCC1(C)CC1	1990096856	BXAXXRQIVKHXQQ-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1C=CCCCC1	1990968229	HSMYMXBKUYPUGV-LBPRGKRZSA-N	235.758	4.559	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2C[C@@H]3CC[C@@H]3C2)n1	1992832885	UOJGBLKTQKSSFW-YFKTTZPYSA-N	235.396	4.560	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@@H](C)C1=O	1993969383	MHNXYLBAJADHSM-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCCC)C(C)C	1995202917	ICUGIPDAHNXODH-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](CC[C@H](N)CC2CCCCC2)C1	1996260535	PHSBIKQPAHMADL-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C(=O)CC1CC(C(C)(C)C)C1)C(C)(C)C	1998240178	UJTOFKGRJYTZIN-HIFPTAJRSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CC[C@@H]1NC1CCCCCCCCC1	1998738814	NQXJZSNZMVSPRJ-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
CC(C)C[C@H]1CC[C@@H]1NC1CCCCCCC1	1998747488	BQLOAMLVKODHKW-ZBFHGGJFSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(C)c1N[C@H]1CCCC(C)(C)C1	2000061340	DJQTZVRKHURXMH-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCC1)C(CC)(CC)CC	2000371182	GPZSAFQMEWYXDD-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(O)[C@H]1CCCC(C)(C)C1	2003005376	JRBVPKHTNXKQBU-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)[C@H]1CCC[C@H](C)C1	2003023417	XISUJQGOHWCIMV-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CC[C@H](C)CC1	2003067188	OJCFFPPDLMJTTE-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC1(C[C@H](O)CCC(C)(C)C2CC2)CCCC1	2003178174	ZHAIQXGDAZTFLS-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC)CCC(N)([C@H]2CC[C@@H](C)C2)CC1	2004340456	AOVSRVDSRTZOMD-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](C)C1(C)CCC1	2004822090	MXXQUWVEVKGABX-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)CC(=O)C1(C)CCC2(CC2)CC1	2007682523	ARCNGGCQRIXRSB-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC1(CC)CC(N(C)CCC(C)=C(C)C)C1	2009320671	QQTFNEQANOMEKG-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCN[C@H](CC(CC)CC)C1=CC[C@H](C)CC1	2010623951	KBOKKZCYSCJCSJ-XJKSGUPXSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@H](CCC[C@H]1C[C@@H]1C)NC	2011576201	IYUIFCQVXCOCGA-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]1C[C@@H](CCC=C(C)C)CC(C)(C)C1	2012066538	YRTOQMVGXXRMKE-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC(=O)C1CCC2(CCCCCC2)CC1	2013201148	AUJGZTJWYAQTCG-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@H](CCC(C)C)NCC1(CC(C)C)CC1	2013268067	WRWNWFITFRGQLT-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C[C@]1(O)CCCCC[C@H]1C)C(C)C	2015278734	QQHVAFIEGAHLMJ-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC(=O)CCC1CCCC1)C(C)C	2015388633	WOZPZKSAAYJULN-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC(C)C(CCN1[C@@H](C)CCC[C@H]1C)C(C)C	2015393026	YZOKCNQDHSPTOG-GASCZTMLSA-N	239.447	4.568	0	10	BJAE	
CCCC1(C[C@H](N)C2(C)CCCCC2)CCC1	2015594745	SOFDOZKSKZJAHQ-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@H](O)CC2CCCCC2)CCC1	2015640577	UCKASXQNFVAAJX-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CCC[C@H](C)C1	2017485503	FQTZLHPPAAWXMY-NUEKZKHPSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)CCCC(C)C)CC1	2017663789	YMBCHHGTJKWZCG-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CC(C(C)C)C(C)C	2017787967	MZTZWADGKJRAKM-CQSZACIVSA-N	241.463	4.671	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCCCC1(C)C	2018138954	MRQDKHIGMHZBBI-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@H]1CC=CCC1	2019359580	KHHWZIUVJMFMPS-JKSUJKDBSA-N	237.431	4.633	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H](C)C1CC(C)(C)C1	2019420922	JPXSRZIMJWUTEZ-KBPBESRZSA-N	239.447	4.568	0	10	BJAE	
C1=C[C@@H](Oc2cccc3sccc23)CCCC1	2019540080	APSDQKHTYZKSRO-GFCCVEGCSA-N	244.359	4.779	0	10	BJAE	
CCCCN(CCC1=CCCCC1)C1CCC1	2020639319	ZTNIQIGJKVDFDE-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
c1cc2cc(N[C@@H]3CCC4(CC4)C3)ccc2s1	2021787403	HRTYJJVWCQIKBD-CYBMUJFWSA-N	243.375	4.646	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1C[C@@H]1C1CCCC1	2022454284	MVFOLMIUDOWLMA-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@H]1CC2CCC1CC2)c1ccc(N)cc1	2027947490	IWYKCXWEZOPFAJ-FKFRUQKQSA-N	243.394	4.589	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C)[C@H](CC)C(C)C	2028250732	AANXKHJRUTWTKB-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1ccc(C2CC2)cc1	2028599212	XZQKKQZALPPEJG-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CC(C)(C)c1ccccc1NC1C[C@H]2CC[C@@H]2C1	2029080643	KAEPYYABFMDXOJ-CHWSQXEVSA-N	243.394	4.585	0	10	BJAE	
CC1(C)CC[C@@H](N[C@@H]2CC(C)(C)CC3(CC3)C2)C1	2030285960	BVYMMIWCHSTSOY-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)[C@@H](N)c1ccc(C2CCCC2)cc1	2031746820	ROMFDZHQSGUGGE-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
C[C@@H](C(=O)c1ccc(C2CCCC2)cc1)C1CC1	2031746872	RZILNLRORSUHJY-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CC(C)c1ccccc1NCC1CCC(F)CC1	2032179163	QFYRYOXBFQQXRQ-UHFFFAOYSA-N	249.373	4.750	0	10	BJAE	
CC1(N[C@H]2CCC23CCCCC3)CCCCCC1	2033415341	SOTGOEKKFZWESP-HNNXBMFYSA-N	249.442	4.802	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CCCC2)C1)[C@@H]1CC1(C)C	2034362806	JRJDSTKWTAWGJF-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@H](NC2C[C@H]3CCCCC[C@@H]3C2)C1	2035866690	ZKWCZRTURLWOSR-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C2(C)CCCCCC2)c1	2037070205	IMQGRDLTKSEHGD-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
CCCCC[C@](C)(N)c1cccc(C2CCC2)c1	2037090348	OGIRFPLFOZVTTL-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)CC1CCC=CCC1	2037207591	BQCVUPYDXPVXII-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC[C@H]1C)c1ccccc1	2038138967	POSBJDUCVRHCDC-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
CNC[C@]1(CCC2CCCC2)CC12CCCCC2	2039004374	ZRCFPPFSSTUGIF-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
C1CCC(CCNCCC23CCC(CC2)C3)CC1	2039421538	RALLCLOZKPENCW-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@H](NC[C@@]1(C)C=CCCC1)C1(C)CCCCC1	2039872335	MJDMUGDMDKYQSK-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(N[C@H](C)C2CCC(C)CC2)ccc1F	2040633900	SWVHZAAWAJMWKQ-HRDQMINSSA-N	249.373	4.761	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)c1cc(C)cc(C)c1	2040726567	VIFMPBPBGSOFGK-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CC)[C@@]1(C)CC=CCC1	2042018419	FGOMDOMZDSVLKQ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC1CC([C@@H](C)N[C@@H]2CCC3(CCCCC3)C2)C1	2043552795	HMQRSJPKIIKZAZ-GYTBAZASSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1ccc([C@H]2C[C@@H]2C)o1	2045562777	YWWUXJHIAULWHL-AVGNSLFASA-N	248.366	4.658	0	10	BJAE	
CC(C)[C@H](C(=O)C1CCCCC1)c1ccccc1	2045673746	MMXPEICSHATAAN-INIZCTEOSA-N	244.378	4.576	0	10	BJAE	
CCC1(CC2(N)CC3(CCCCCC3)C2)CCC1	2046230287	PJVFFLFLELAKJV-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@H]2CC23CCCC3)CC1	2047006038	XQDYYOKAZUVFJT-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C1=C(CN[C@H]2CCCCC23CCCCC3)CCC1	2047595484	JTWSUZJEQVIQFO-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
C1=C(CN[C@@H]2CCCCC23CCCCC3)CCC1	2047595485	JTWSUZJEQVIQFO-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CCC1CCC([C@](C)(N)CC2CC3(CC3)C2)CC1	2049419822	FWVAKVAEWDJGSD-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)NC[C@@]2(C)C=CCCC2)C1	2049532296	JYDMLQPBFGIBFI-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CC1CCC2(CC1)CC2	2049950555	IGCUYXYEHWBWFO-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCCC3(CC3)C2)cc1	2049950576	ILGYZWWLUIMLDJ-CQSZACIVSA-N	242.362	4.538	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)c1ccc(F)cc1	2050448640	KULJCTNOCBDKCH-MRXNPFEDSA-N	248.341	4.530	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@@H](N)c1ccccc1C	2050460586	KNMBQMUHAIAUQX-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)c2cccc(F)c2)C1	2050495988	ZXBYQIVEQVVULW-OLZOCXBDSA-N	248.341	4.615	0	10	BJAE	
CC[C@@H]1CC[C@](CNC(C)(C)C)(C2CC=CC2)C1	2053695040	RKRKKMLNAVFMFJ-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1c(C)coc1CC	2059261691	GSSPLBAJVJPRLA-GPAKFWEMSA-N	249.398	4.547	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CCC(C)(C)C1	2060921434	LIVGUOUDANKHDJ-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C(C[C@H](O)c2ccccc2C)CC1	2061100177	VDKUODGJIZIPKI-YOEHRIQHSA-N	244.378	4.555	0	10	BJAE	
Cc1cccc2cc(CC3CC(=C4CC4)C3)oc12	2061719360	YTNFHVMNWKUZGF-UHFFFAOYSA-N	238.330	4.784	0	10	BJAE	
CC(C)Oc1ccc(CC2CC(=C3CC3)C2)cc1	2061719375	ZAOFOERWAWOPQM-UHFFFAOYSA-N	242.362	4.517	0	10	BJAE	
N[C@@H]1CCCCCC[C@@H]1CC1C[C@@H]2CCC[C@H]2C1	2063486836	LZDLZWGUTDEZBB-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
NCC1(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCCCC1	2063495191	AIGXMLYBZNELIC-MUJYYYPQSA-N	249.442	4.502	0	10	BJAE	
N[C@H](CC1CCCCC1)CC12CCC(CC1)CC2	2065304755	DAMLXJAUHSPAHQ-ARWYELJZSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCCC2(C)C)n1	2066346697	JRTLBWPPYCUCMT-CQSZACIVSA-N	246.398	4.586	0	10	BJAE	
CCN[C@H](CCCC1CC1)C1(CC2CCC2)CC1	2069563903	MELNRVNKEFSHTI-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1CCCCC1)C1(CC2CCC2)CC1	2069587825	XKCGRALULHWPDX-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	2070407350	FVTVECUBOIYUOT-MWDXBVQZSA-N	249.442	4.680	0	10	BJAE	
C1CC(=C2CC(CCC34CCC(CC3)OC4)C2)C1	2072545615	DRGKEVZRCGLYRI-UHFFFAOYSA-N	246.394	4.616	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2[C@H]3CCC[C@H]32)CC1	2072700055	GGGFXOZAKDCCGG-ABPIDSFRSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)[C@H]1CCCCC12CC2	2074647362	WSNYDTSLZSNOIV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(N(C)C[C@@H]2CCC[C@H](C)C2)cc1	2074857583	SZNSRLZQPWHTBM-GOEBONIOSA-N	245.410	4.512	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(CC)c2cccc(C)c2)C1	2074893585	VQUNCUDTMODWPE-WBVHZDCISA-N	245.410	4.790	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1C=CCCCC1	2075361913	DDMGPFXXNLIAGN-CQSZACIVSA-N	243.394	4.895	0	10	BJAE	
CCN[C@@H]1[C@H](C=C2CCCCC2)CCCC1(C)C	2076402666	VGJXDOIKRPJBHN-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCCCc1ccc([C@H](N)C2(CC)CCC2)o1	2077981345	MFFJNLTZQTVSTE-HNNXBMFYSA-N	249.398	4.592	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1C[C@H]1C1CCC1	2079351193	XOSAGRNUOKBLSN-BYFHDABZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1ccccc1C1(C)CC1	2079650990	NRNFPANGUFRHPB-KGLIPLIRSA-N	243.394	4.586	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1C[C@@H]1c1ccccc1	2079841715	KJFWRUSYGBNLIO-LSDHHAIUSA-N	244.378	4.576	0	10	BJAE	
CC(C)=CCCN(C)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2081138450	VYNJBPHWMNFODD-GVDBMIGSSA-N	249.442	4.633	0	10	BJAE	
CCCNC[C@@]1([C@@H]2C=CCC2)CCCC(C)(C)C1	2081681672	CARWGKZYJVQZLQ-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCCCc1ccc([C@@H](CC)NCCC)cc1	2082714420	DCANXEPHNKPYMQ-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1cccc(C(C)(C)C)c1	2083548587	CQUNBEVPRDNMTN-JKSUJKDBSA-N	247.426	4.666	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H]1CCCNC12CCCCC2	2083815608	HYIWRGQKHVXBJW-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCc1ccccc1	2086055086	YAZWGTSMQCOFGU-RDJZCZTQSA-N	247.426	4.553	0	10	BJAE	
CCCC[C@](CC)(CN[C@H](C)CC)C(C)C	2212577036	SGFIMQDDLTYDQP-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
Cc1cocc1C(=O)CCCCCCC1CC1	2213581132	SURVATSZCNFTNJ-UHFFFAOYSA-N	234.339	4.521	0	10	BJAE	
Fc1c(Cl)cccc1CC=Cc1ccccc1	2213821387	CVYZVGGUTBNFSK-UHFFFAOYSA-N	246.712	4.735	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CCCCC1CC1	2214558571	PRRGVTJZLUCBOC-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@H](N)C1CCCCC1	2214777682	PRMRLBPKHMMBIO-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CNC1(C)CC2(CCC2)C1	2215350461	BFIHKABYQXNFSV-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@H](O)CCCCCCCC1CC1	2216860529	BFPWGEZUVHRGSA-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218336167	ZILOJMHVUVYBHX-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
C(CCCN1CCC[C@H]1C1CCC1)CCC1CC1	2218730005	BRVRJJIBHYNZER-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
C(=Cc1ccccc1)Cc1coc2ccccc12	2219072451	BWAOCRIEKDZGKE-UHFFFAOYSA-N	234.298	4.689	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@H]1CC=C(C)CC1	2221667643	MCVYLSGBRYDRCE-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@]1(CNC1CCC1)CC1CCCCC1	2223603874	FBFZSRVVBTVJBO-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)c1cccc2ccoc12	2224179715	DHGWFSBXSKFZKD-DZGCQCFKSA-N	245.366	4.505	0	10	BJAE	
CCCCC[C@@]1(N)CC(C)(C)CCC1(C)C	2245436393	RDWCCFCMGYAPLK-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@](C)(N)CC1CCCC1	2247165919	NUFOVOKOGUKMAO-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCc1cc(Cl)ccc1NC1CCC=CCC1	2249285992	IHVMKJVBMDCPHP-UHFFFAOYSA-N	249.785	4.813	0	10	BJAE	
CCC[C@@H](CC)CNCC1CCC(C)(C)CC1	2250389224	HKOFGWSAVRBYDL-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@]1(C)CCCN1	2250469615	QLCMITKUIAELOB-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(CO)C(C)C	2250487992	HYBVBMHBDAABBN-HOTGVXAUSA-N	242.447	4.884	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@H]1CCC1(C)C	2250490356	IIDAGWFOEKEUJN-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@]23CCC[C@@H]2CC3)s1	2251163603	RGIGMIMREATVQD-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CC(C)(C)CCC1(C)C	2251680786	GDRUESUYHPSGJI-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(C(=O)CC2CC3(CCCC3)C2)cc1	2254109923	VHEIAAMKAJRHMS-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC[C@H]2C[C@H]2C)c(C)c1	2254610082	NXOWZIRIKOGWBV-KMFMINBZSA-N	245.410	4.520	0	10	BJAE	
CCCc1ccc(C(=O)CCCC2CCC2)cc1	2256241233	JTDVXELSCRHTBK-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1CCC[C@@H]2C[C@H]21	2257248344	SHEDVLRLOIGFDA-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC1(N)[C@H]2CCC[C@H]1CC2	2257316273	QGYKFIYUXVJCAP-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC(=O)CC2CC3(CC(C)C3)C2)C1	2259572905	YUQCHJLBIJUQAP-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@@]12CCC[C@@H]1CC2	2260488144	NTHLPYFFKSHUAF-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@H](N)c1cccc(C2CCCC2)c1	2260661177	IEMWBOQQVULJMU-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CCCC[C@@H]2CN)C1	2261304866	NAXLULDMSFCLNR-ZBCRRDGASA-N	249.442	4.524	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)[C@@]12CCCC[C@@H]1CC2	2298694183	DCHWBFDXVKYSFQ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCC(=O)C(CC1CC1)CC1CC1	2298865376	MYHQRYOEVIZZSF-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCN(C1CCCC1)[C@H](C)CC1CCC1	2298877445	BXUWCGPFBVMMGX-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CCC(CC)CC[C@@H](NC)C(C)(C)C(C)(C)C	2300683231	HMMDXDQHHWQLOC-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CC[C@H](CC)CC1	2300685133	BGKVJTOGEYQZRA-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCCC(=O)c1cccc(F)c1	2300686671	TVUVTNIZGDABCN-UHFFFAOYSA-N	236.330	4.615	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CCC(CC)CC)[C@H]1C	2300687789	GMEHSLNFNGQCKD-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H]1CCc2cc(N)ccc21	2300700453	LYNIFDBAZRHIFC-CYBMUJFWSA-N	231.383	4.515	0	10	BJAE	
CCC(C)=CC[C@H](N)C1CC(CC(C)(C)C)C1	2300871460	FXABOOVAFMLTTF-NRXISQOPSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC1CCCCCC1	2301136007	RQAUIOZDGMMQPM-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
CN[C@H]([C@@H](C)[C@H](C)C(C)C)C(C)(C)C(C)(C)C	2301952711	KMDMGHIJNCPPMW-HZSPNIEDSA-N	241.463	4.575	0	10	BJAE	
CCCCN(C1CCCC1)[C@@H](C)[C@@H](C)C(C)C	2301973764	DMUQEQILXXEEMI-GJZGRUSLSA-N	239.447	4.712	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@@H]2C[C@H]3CC[C@H]2C3)n1	2302258115	LRVMBSLXAQHDDC-NNYUYHANSA-N	247.407	4.560	0	10	BJAE	
CC[C@](N)(CCCC1=CCCCC1)C1CCC1	2302328945	NXBBPLSFAWDVAG-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CCC[C@@H]1C[C@@H]1C	2302620983	WZXDKPBXVHQLOY-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCc1cscc1NC[C@@H]1[C@H]2CCCCC[C@H]21	2302888956	FJFRLHXPFLMSDN-WDNDVIMCSA-N	249.423	4.549	0	10	BJAE	
CCC1([C@@H](O)C[C@@H]2CCC(C)(C)C2)CCCC1	2302897292	YRVSCMQPGVWBGT-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CCC(C)(C)C1)C1CCC1	2302900222	CNGXFVPDSLHJBB-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCC[C@H]2C)CC1	2303602298	VDDDRYBMLKBACI-BPLDGKMQSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C(C)(C)CCF)C1	2304421955	CXEZBNJBPRZIIJ-LBPRGKRZSA-N	242.378	4.548	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1cc(C)cc(C)c1	2307879477	RLZFAVGCYXXCRE-GDBMZVCRSA-N	234.383	4.553	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C[C@@]23CCCC[C@@H]2C3)C1	2311145651	DOSRFOZYJWQOBP-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@]1(N)C[C@@H]1C[C@H]1C1CCCCC1	2311570446	KVAFBGVELKPPPF-HJWJTTGWSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N1CCCC[C@H]1C1CCCC1	2313599418	KPEOXXFDCKSDDO-PBHICJAKSA-N	249.442	4.610	0	10	BJAE	
CC(=CCNCCCCCCCC1CC1)C1CC1	2315247459	JSCZTXIAGFACKI-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1C[C@H]1C(C)C	2315877435	HUNYVHCDQMPUKV-HOTGVXAUSA-N	245.410	4.822	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1coc2ccccc12	2316246283	RYHHZVHDLHQBAB-OAHLLOKOSA-N	245.366	4.649	0	10	BJAE	
CCc1ccc([C@@H](CCC(CC)CC)NC)cc1	2316247389	DCCYNPSLKGHAKA-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C(C1CC1)C1CC1	2316511466	SSRUHJXEBIAHMF-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN1CC[C@H]2CCC[C@H]21)CCCC(C)C	2316513051	MPJVUIYXJZAJBX-IAGOWNOFSA-N	249.442	4.633	0	10	BJAE	
NC[C@]1(CC2CCCCCC2)CCCCC12CC2	2316872730	CZMNVQASZFXOGL-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317122406	URDLEWCHJPAZJK-MTSZKFMLSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)CC1=CCCC1	2317907223	OMIQRHBZFDLTCN-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)[C@H]1C[C@@H](C)Nc2ccccc21	2317951666	WVHHMNXFMDKXKS-HGTKMLMNSA-N	245.410	4.903	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)c1ccoc1	2318587642	BJFZHGVCXQQKHY-INIZCTEOSA-N	247.382	4.601	0	10	BJAE	
CN(CCCC1=CCCCC1)[C@H]1CCCC12CC2	2318599690	YMMFSMNFLLKFAN-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2[C@H]3CCCCC[C@H]23)C1	2319132448	ZMJCBSJDOQZAOT-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)[C@@H](C)CC2CCC2)CC1	2320401753	LSTJULMZNARFFB-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
CC=CCCC[C@@H](N)c1cccc(C2CCC2)c1	2320654914	FXXIIEWAJFXVEU-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CC1(C)CC[C@H](CCNC2CC3(CCCC3)C2)C1	2321625706	PSBSQKXVTSVDIA-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cc(C)ccc1C(C)C	2327707741	XIFZIBUCXHEYSX-RHSMWYFYSA-N	247.426	4.945	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCCC[C@@H]1C	20306123	SRKZXOROCULIKZ-ZNMIVQPWSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1ccc(CCC)cc1	20482530	KOWNMYRDCKRDTA-RDJZCZTQSA-N	247.426	4.855	0	10	BJAE	
CCCN[C@@H](CCC(C)C)c1ccc(C)s1	35573101	MGECVJGYXBHPBR-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H](N)c1cc(C)c(-c2ccccc2)s1	42734306	RBJSTJPJYAWAOS-CYBMUJFWSA-N	245.391	4.523	0	10	BJAE	
CCCCN(C[C@H](C)CCC)c1ccccc1	59621341	MJJDEORRWYUZJK-OAHLLOKOSA-N	233.399	4.729	0	10	BJAE	
CCC[C@@H](CCCC1CCCCC1)NCC	70745664	KUVJHLGMFKMEKL-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCN[C@H](CCC[C@@H](C)CC)c1ccccc1	80424415	ZBSIZFDOZMXKPQ-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C3CC3)C2)c(F)c1	81626654	KKHJPZHOOFCRKB-KGLIPLIRSA-N	247.357	4.515	0	10	BJAE	
CCCc1ccc(N[C@H]2CC[C@@H](C)C[C@@H]2C)cc1	85086617	QYIHQQKBYUFHJE-KEYYUXOJSA-N	245.410	4.876	0	10	BJAE	
CCc1ccc(C(=O)C2CCCCCCC2)cc1	86578434	OCBVQWNOTOWSGT-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCCC(C)(C)CC1	86907302	SAQCEECWQPXMGN-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CCCCCC[C@H](CC)Nc1ccccc1OC	90430237	ZNXQEKXOYXPXQJ-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](C2CCC(C)CC2)C1	93123236	TVBTTYGAIPHENV-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@H](CNCC)c1cccc(C)c1	93125185	JLAKJACPMPTDTH-RHSMWYFYSA-N	247.426	4.514	0	10	BJAE	
CC(C)[C@H](N[C@H]1CCCC1(C)C)c1ccccc1	94305028	CDZKYBHKXFBFLM-HOTGVXAUSA-N	245.410	4.552	0	10	BJAE	
CCN[C@H](c1ccco1)C1(CC(C)C)CCCC1	94900916	BABVHFMRFZNRDY-OAHLLOKOSA-N	249.398	4.537	0	10	BJAE	
CCCCCC[C@H](O)c1ccc2c(c1)CCCC2	97470362	LYFUGWPDSOUZQS-KRWDZBQOSA-N	246.394	4.569	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1Cc2ccccc2C1=O	103930276	RFXWMXVHNQNXJJ-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
Cc1ccc(C(=O)C[C@H](C)C(C)(C)C)c(C)c1	104450113	OPFORBPBBJPOAD-ZDUSSCGKSA-N	232.367	4.558	0	10	BJAE	
CCCOc1ccc(N[C@H](C)CCC(C)C)cc1	109949341	ZJIJLCXPVHHBAG-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
CCCCCC[C@@H](N)c1cccc2ccccc12	112897560	WDIHTVMKPNESKG-QGZVFWFLSA-N	241.378	4.810	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCCC)c1ccccc1	128646117	MPVIGFYWAPHDBF-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CC1(C)CC[C@@H](Nc2cccc3ccccc23)C1	129195165	CBFAYYAPVJRQAF-CQSZACIVSA-N	239.362	4.830	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(C)(C)CCNC(C)C	133932620	HCEQNZUFJFNAJD-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1CC[C@@H](C)c2ccc(C(C)C)cc21	136925649	MKLJGGDYJICCKC-DYVFJYSZSA-N	245.410	4.748	0	10	BJAE	
Cc1cc(C)c(-c2ccc(Cl)c(O)c2)c(C)c1	156866769	FJFYEAVYZPELCQ-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CN[C@@H](c1ccccc1C)C1CCCCCCC1	159031292	GHPKAEVPVVKWIH-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)CC1CCC1	167103315	GXFMODFHHPIROQ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c2oc(-c3ccccc3)cc2c1	196248575	GXAAFCGTVSTKPJ-UHFFFAOYSA-N	222.287	4.717	0	10	BJAE	
CC(=O)c1cccc(SCC2CCCCC2)c1	203486915	GVIVOVCHQRISNA-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCC[C@@H](CC)CC1	226702500	VZMWCYBJVXKEML-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
Cc1cccc(N[C@H]2CCC23CCCCC3)c1	230159555	VJDIPWKQIQWSRM-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@H](C(C)C)C2)cc1	230986256	QXPHRRFYXOFKDK-RDJZCZTQSA-N	245.410	4.876	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cc(C)ccc2Cl)C1	232230141	GPCYZTJPZXHUHM-VXGBXAGGSA-N	237.774	4.639	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1C=CCCC1	232511645	KUQRBVHYUFETAW-ZDUSSCGKSA-N	229.367	4.505	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@@H](C)c1ccccc1	233176201	JRMOVVOTNWXOHC-YQQAZPJKSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@@H]1CCCCC1(C)C	233350821	HGOCKJLVXBWRMF-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
FC(F)(F)c1ccc(Cl)c2sccc12	238571466	ZPKCTFPEMDUUKL-UHFFFAOYSA-N	236.645	4.574	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)C1(C)CCCCC1	300244815	AXUOFJZFDANCIR-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CSc1cccc(NC[C@H](C)CC(C)C)c1	300939201	OOWCRUUTASIXFF-GFCCVEGCSA-N	237.412	4.503	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)c1ccoc1	305901957	CBONFHXVIFJGQE-CQSZACIVSA-N	237.387	4.537	0	10	BJAE	
CCCc1ccccc1N[C@H](CCC)C1CC1	305990267	FBYQEBBDIIBDBN-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NC)[C@@H](C)CC(C)C	308053141	OEANJJKWOBDDEW-XHSDSOJGSA-N	241.463	4.719	0	10	BJAE	
CCC(CC)[C@@H](C[C@@H](C)C1CCCCC1)NC	310204898	BMVHXPCNINWIEY-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](CC2(C)CCCC2)C1	310478658	CJUGIGHQVVNKGN-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
Cc1c(F)cccc1NCC1CCCCCCC1	310581136	WJDXSPPFLOJCPZ-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC12CCCCC2	313022412	TZEBEQLTYOFHMB-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC(C)C[C@@H](C)[C@@]1(O)CCCC12CCCCC2	313036311	GZUCHCIQEQMFNJ-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CNCC1(CCC(C)(C)C)CCC(C)(C)CC1	316826791	DDCIMWFRWLKGOZ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H]([C@H](C)[C@H](C)CC)C1(C)CCCCC1	318924597	TXUCDQJHHLTVHY-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(O)CCC2(CCCC2)CC1	319073119	YUNLGPLKIIKLLF-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CCC([C@@H](O)[C@H](C)C(C)C)CC1	319310520	HMJCWLHUYWYDSF-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)c2cc(C)cc(C)c2)CC1	328342231	MQDHMNOGOCNVNC-ZOBUZTSGSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc(C)c(O[C@@H]2C=CCCCCC2)c1	379855829	MFHJIMNIWLOIAC-OAHLLOKOSA-N	230.351	4.571	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1csc(C)c1	381236971	UNBRUSQKHWXWLT-OCCSQVGLSA-N	239.428	4.663	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@H](C)[C@H](C)C1	383602658	ZWDGNURAPGFCJD-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@H](O)CC1CCCC1)C1CCCCC1	383897423	VWTUFSTVRFJDFQ-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C1CCC(C[C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1	385961409	FJKJZTGCVPMALQ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1cccc(C(F)F)c1	386189861	PWBDOQGWPGLYNE-LLVKDONJSA-N	241.325	4.861	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc2sccc2c1	386495720	ZKHWNRZLRKWHRY-SNVBAGLBSA-N	232.348	4.520	0	10	BJAE	
CC[C@@H]1C[C@H]1CN[C@H](C)c1ccc(C(C)C)cc1	387767913	BMKHXAQKKKNQOY-CPUCHLNUSA-N	245.410	4.507	0	10	BJAE	
Clc1ccc(NCCCC2CC2)c(Cl)c1	394477709	BDOUZQQSBYGUKF-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CC(C)(C)NCCCCCC1CCCCCC1	394599462	ZMCGVVQCEZUWGI-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCSc1ccccc1NCC(C)(C)CC	394615848	VATMNNRJRQBYCM-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CCC(CC)(CC)CNc1cc(F)ccc1F	395143551	ASFCXHSILAZQAX-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
CCc1c(C(F)F)cc(F)c2ccsc12	396227971	ZTYQVLNQUDKEJZ-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
O=C(CCCC1CC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	405765526	XTHKYVHNHYSLAN-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)cc1Cl)C(C)(C)C	687799174	DVHVDSYIRYZBKL-MRVPVSSYSA-N	246.181	4.840	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cccc(C(C)C)c1	688899697	MQIRDESSNSRJSX-XJKSGUPXSA-N	233.399	4.636	0	10	BJAE	
CCCc1cccc(-c2cccc(N)c2Cl)c1	690836448	IWJBQGZNBQAYBK-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
OC1(C2=CCCCCC2)CCC(C2CCC2)CC1	696091724	DTIQQKUBLXDAHR-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC(=O)CC(C)(C)C(C)(F)F)C(C)(C)C	697031169	KXLBOBKTDUPSQB-JTQLQIEISA-N	248.357	4.699	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)c1cccs1	697758507	JFPFCKZFVXJMKP-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)c1ccc(C)cc1	697774072	IFPBSCOTTTWQHP-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CCCCC[C@H](C[C@@H](CC)CC(F)F)NCC	701539391	UIYCQZSXINBXBG-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CSc1ccc(C(=O)C2(C)CCCCC2)cc1	704711511	ILTHPOLYEIBMIA-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC(C)c1cccc(N[C@H](C2CCC2)C2CC2)c1	705322419	DDJXMBXWCLIWCL-QGZVFWFLSA-N	243.394	4.801	0	10	BJAE	
CCC[C@](N)(c1cccc(C(C)C)c1)C1CCC1	705382723	LRTCEKVBHFYDHV-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CC1(C)CCCC1	707547321	RSXWBSZXAJQEAA-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1cscc1Cl	711566727	PYLNKLUNCUHFSI-LLVKDONJSA-N	245.819	4.618	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)c1ccc(Cl)cc1	713702518	AUELBAVSODOFQC-NFAHFFEMSA-N	249.785	4.513	0	10	BJAE	
C1CCCC(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)CCC1	714315030	KRJDUYSSSMLYKP-BHYGNILZSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCCC(=O)c1cscc1C(F)F	717197029	DPDRJXXBMPPLRT-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CC1(C)CC[C@H](CCC2CCCCC2)[C@@H](N)C1	717465224	ARTOSDIJUDPZMF-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)C[C@H]1O)CC(C)(C)C	717548248	DIBLDZVQUQTVOO-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CCC(C)=C(C)C)C1	718728345	ISJBLLLFMWEDES-JKSUJKDBSA-N	237.431	4.668	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC[C@@H]1CC=CCC1	720957567	VHMQZYYHPJKUGX-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)C(C)(CC)CC	721674639	AYIUNIZIMYOPSQ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)C(=O)c1cc(C)c(C)cc1C	721699424	WLEQTPSZAORDFE-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
C=C/C=C/CCS[C@@H]1CCCc2ccccc21	1307293691	PVTRLUVTVMPPED-QDLOVBKTSA-N	244.403	4.930	0	10	BJAE	
C1CC(CCCN2CCC[C@@H]2CC2CCCC2)C1	1643622579	RXDIGRQNQWWABJ-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@H]2CCC=CCCC2)C1	1651660948	JUKZUQZBYMPKST-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H](C)CSc1ccc(F)cc1	1655984003	CRRZMSLDMXMMQF-LLVKDONJSA-N	226.360	4.600	0	10	BJAE	
CCC(CC)c1cccc(Br)c1C	1889493568	GESXDDVOEIGPHV-UHFFFAOYSA-N	241.172	4.661	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC=C(C)CC)C1	1900867052	RBVPBWLUUIEOER-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCC[C@](O)(CCC[C@@H]1C[C@H]1C)C1CCCC1	1908556306	PIWKTVFWYIZVIO-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C[C@H](CC)C(C)(C)C	1910809262	JGSLZUSMKNHFQF-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](C)C[C@]1(N)CCC2(CCCCC2)C1	1915901020	BROMRTPSXXZYKW-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CN[C@@H]1C[C@@H](C)CC[C@H]1CCCCCC(C)C	1916009202	GHIJTKJAVDUFCN-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@](O)(C[C@H](C)C(C)(C)C)c1ccccc1	1919934238	KMGQSGMRWVSHKV-YOEHRIQHSA-N	248.410	4.603	0	10	BJAE	
CCCC1CC(CN[C@H]2CCCCC23CCC3)C1	1921227129	OLPZEGULKYCDHV-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)CC2CC(C)C2)cc1	1925131666	PDKILMKNBWSGND-ROKHWSDSSA-N	244.378	4.819	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC[C@H]2C=CCCCC2)C1	1925942634	LBCDRQRZEBDGBT-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(CC[C@H]2C=CCC2)c(Cl)c1	1932594920	GAPKZRJHLNSPKB-LBPRGKRZSA-N	220.743	4.547	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCCC1(C)CC1	1935941641	VYLRPIQWSCEMFN-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C(=O)CCCC1CCC1)C(C)C	1936211557	YUWHUQMMNXNFLK-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C(=O)[C@H](C)CCC(C)C)C(C)C	1937171685	TXKBTKBEFQCFJR-ZIAGYGMSSA-N	226.404	4.700	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CC2(C)CCCCC2)[C@H](C)C1	1940409091	WHJXSRFXZYQPSD-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC1CCC1)CCC1(C)CC1	1940792006	HUEYYJIFRFYIBJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(O)CCCC1(C)CC1	1940875832	JTBYNVQJCKONGC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CCCC1(C)CC1	1940877119	OXPHHFQGDNMLIV-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](C(C)(CC)CC)C(C)(C)C1CC1	1941134968	YHIHDOCIDMGGQB-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CCC(C)(C)C)NCC	1941265563	WMWGXPAQMYMUSX-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@@H](C)CCC(C)C	1942656522	MEZQGISUXKIHJC-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@]1(C(CC)CC)CCCC1(C)C	1944481038	PLIAXSTUSRYHFV-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1CCC[C@H]1C	1944782925	DFJHGSKOKUFZEC-KGLIPLIRSA-N	232.367	4.625	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC(CC)(CC)CC	1947468338	YRUNYJCXSIJFFI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CC[C@@H](C)[C@@H]1C(C)C	1947509195	CTEGERIXEWWQDT-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
CC(C)CC(=O)[C@@H]1CCCCCCCC1(F)F	1947523132	IXEYNDLLYFVYOF-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CC(C)(C)C[C@]1(O)CCCCCCCC1(F)F	1947526493	RWDBZABWMHOLGR-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCC[C@@](N)(CC1(CC)CCC1)[C@@H]1CC1(C)C	1948979059	DHWHTIJALCHKLU-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCC[C@@H](N)c1ccc(C(C)(C)C)s1	1949007515	GZGOQXMCQOAHJM-GFCCVEGCSA-N	249.423	4.568	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@H]1CCC2(CCCC2)C1	1949495383	HCQHDKGHMFTSJT-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H]1CC12CCCCC2	1950598810	JEUXYRJPNWFJQG-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](O)[C@H]1CCCC(C)(C)CC1	1950913809	KOPYXWZFFYZECW-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)CNc1cscc1C	1961605336	XTFDJLQAAMJXKV-UHFFFAOYSA-N	225.401	4.685	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCCCC[C@@H]1C	1962882941	UHGRFLJVYHVQEX-JYJNAYRXSA-N	237.431	4.680	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1NC[C@]1(C)C=CCCC1	1967836921	KLHNRRVOEJFFTJ-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNC2(C3CCCC3)CC2)C1	1970499293	HJYJVXAOZGVWGX-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](c2nc(C3CCCC3)cs2)C1	1995498903	VOKKHNGRGGPRJL-PWSUYJOCSA-N	235.396	4.704	0	10	BJAE	
CC(C)C[C@H](C)CN(C)[C@H]1CCCCC[C@H]1C	1995742737	AAINUVXQTWMJKM-XHSDSOJGSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](C)C1(C)CCCCC1	1995992481	YRGZZDHQQIHUCF-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccccc1SC1CC1	1996551023	ZDHQEKKSJWZJKG-NEPJUHHUSA-N	249.423	4.788	0	10	BJAE	
CCCC(C)(C)CNC[C@H]1CCCC[C@H]1CC	1996607378	CRVVWILZZNDGCK-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)[C@]1(N)CCCC2(CCCCC2)C1	1996648092	VSCVGQDJESSWGX-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)C1CC(C)(C)C1	1998658414	RFYRPFPPAJKDHC-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)CCCCCC1CC1	1998737994	HOHMZZHYMKIAPM-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C[C@H]1CCC=CCCC1	1999992434	VIHJCZPKPGLJPY-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
Cc1cscc1NC1CC2(CCCCCC2)C1	2000671124	UWNIGCFAIACVIJ-UHFFFAOYSA-N	249.423	4.971	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CCC12CCC2)NC	2001845073	RWMYEINCGHMBHO-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)CCC2CCCC2)C1	2003012579	APVQYKFNATYONA-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC1(CCCNC2CCCCCCCC2)CC1	2003095406	NOVRHSIOKPMONJ-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
C[C@H]1CC[C@H](NC2CCCCCCCC2)CC1	2003097462	ASEGBHKTXBWCNU-KOMQPUFPSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@]1(C)C=CCC1	2003328272	BUJKPYMGWYDMKO-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(NCCCCC(C)C)CC1	2004341312	JERIMJQOWHQXNJ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@H](N)C1(C)CCCCCCC1	2004923247	OLOMUXDSRFGPET-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(C[C@H](C)CC(C)(C)C)C1	2006608763	OSRDCTYDIDPIDS-IIAWOOMASA-N	237.431	4.523	0	10	BJAE	
C[C@H](CCO)C[C@@H]1CCC[C@@H](C(C)(C)C)CC1	2008714869	BCMWVGHFEXKMNM-RBSFLKMASA-N	240.431	4.638	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)CC1CCCCCC1	2009543276	DYAOQUKSTAVYDB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)C(=O)CC[C@@H]1C[C@@H]1C1CC1	2011190470	NBMQRKUNBCYQJN-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CCC(C)C)NC1CC2(CCCC2)C1	2013267408	QCJZHDRIDVTEPJ-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@](C)(O)C2(C)CCCC2)C1	2014327366	XVCJGXXRTSHTBV-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)C1(C)CCC(C)(C)CC1	2015271578	ASXCULQXCOOEEE-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(NCCC(C(C)C)C(C)C)c1	2015346776	JNGRHXPCEYYWEV-UHFFFAOYSA-N	233.399	4.725	0	10	BJAE	
CC(C)C(CCC(=O)[C@@H]1CC=CCC1)C(C)C	2015390306	KBOVSUBURGQMIU-CQSZACIVSA-N	236.399	4.620	0	10	BJAE	
CCC1(CCC(=O)c2cccc(C)c2)CCC1	2015589074	NMUAYEAPFGMDSQ-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCCC1(C[C@](C)(O)[C@@H]2CCC2(C)C)CCC1	2015644613	ORTQBNKPFPYCNP-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1(C(C)(C)C)CCC1)C(C)C	2017138623	LVYULQBTLCWNSV-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(F)C[C@H]1CCCCCCCC[C@@H]1O	2017418847	HYDYMDUJOUCMFO-HIFRSBDPSA-N	242.378	4.751	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@H]1CC[C@H](C)CC1	2017647896	JFGQYIKZTQYJMR-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@](C)(O)c1csc2ccccc12	2017698553	ADHVVRJLDXAAGX-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)C1(CC)CCCC1	2018989108	BOAXVFSKSRIGET-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C[C@@H](CC1(CC)CC1)NC)C(C)(C)C	2018999726	MFSRIGYZFYJVAL-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@]1(C)NCC1CCCCCCC1	2020581990	QONXNYDVHSVOPZ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1C[C@@H]1C1CCCCC1	2022414554	KZGQDCUPRRKOEY-CABCVRRESA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](O)C1(C)CCCCCC1	2022452495	XHKFPKIYGMIKCB-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CCC=CCCC2)C1=O	2023994827	WOSXKAGXLALOIL-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CSc1ccc(N[C@@H]2CC[C@H](C(C)C)C2)cc1	2025574088	DJSBTOKZMSSBFP-GXTWGEPZSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@@]1(C)C[C@@H]1C)NC	2026170627	RCMKSRDADMHGPB-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)C2(C)C(C)(C)C2(C)C)cc1C	2027153558	UHCLWZVCPNJOMZ-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
CCC1(C[C@@H](O)c2ccccc2C(C)C)CCC1	2027518376	QMPKYZUANWRLSG-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
Cc1cc(C)c(C(=O)CCCC2(C)CC2)c(C)c1	2027855239	MRQBQLSKWPIQNK-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)c2cccc(C3CC3)c2)C1	2028558438	WNLUWUVTMDCXOF-SWLSCSKDSA-N	242.362	4.573	0	10	BJAE	
O=C(c1ccccc1C1CC1)C1CCCCCC1	2028568296	HTVWOGQSATZDFR-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
Cc1ccccc1[C@](C)(N)CCCCCC1CC1	2028638175	XPUDPIAEQFXDGW-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CC(C)(CNCCCCCC1CC1)C1=CCCC1	2028644765	OMQJTUYHWPHOPJ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCC(NCC2(C3CCCC3)CC2)CC1	2029737948	LEFNFEWTBVYXAN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@H]2CCC[C@H]2C)cc1	2032482775	CFTZXBCHBCEDQH-CJNGLKHVSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CC[C@@H]1C1(CNC2CC2)CCCCCC1	2033557566	NLVVFQFWRUHBEO-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(N)CC(C3CCCC3)C2)C1	2033781492	GNLHAYKHPGZIBP-MHABSNSOSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CNC[C@@]1(C)C=CCCC1)C1CCCC1	2034021264	PWHHVESHHDYEJC-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC([C@@H]2C[C@H]3CCCC[C@@H]3C2=O)CC1	2034259761	CGTKGDYMIPABAX-NCOXYXGASA-N	248.410	4.598	0	10	BJAE	
C1=C[C@@H](Cc2ccc(OC3CCC3)cc2)CCC1	2035561683	GAZGBBQOAMYLJU-CQSZACIVSA-N	242.362	4.517	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2C=CCC2)CCC[C@@H](C)C1	2035595612	YWPHGASQJYKUAF-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@@H](O)c2cccc(C3CC3)c2)CCC1	2036378078	XCXKIGYCYLZISK-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(N)CCC[C@@H](C2CC2)C1	2037179437	MFHYXKVVANCQQT-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CCC23CCC3)c1	2037477875	LSJLEOBVEALVEE-INIZCTEOSA-N	243.394	4.556	0	10	BJAE	
O[C@H](CC1=CCCCC1)[C@@H]1CCC2(CCCC2)C1	2037571080	JIONXUREAKXAKE-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC(=C2CNC3(CCCCC3)C2)C1	2037762543	PMPSDDICUAQXCX-CQSZACIVSA-N	247.426	4.579	0	10	BJAE	
CN[C@@H](CC[C@H]1CC=CCC1)CC1CCCCC1	2038168913	WPXYCLJJCYEFKL-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC1[C@H]2CCC[C@H]1CC2	2042022375	QPABWGZTFJUOSP-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@@H](C)C1)[C@]1(C)CC=CCC1	2042024910	QIFXQTIAQOGFHF-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H](NC1[C@@H](C)[C@@H]1C)c1ccccc1	2043294599	FXVSXSRTMWDKPK-DZKIICNBSA-N	245.410	4.552	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCC3(CCC3)C2)CC1	2043610543	YMYZTAIVUPISQT-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1ccc([C@@H]2C[C@@H]2C)o1	2045559811	FAEWACHRESEACM-RWMBFGLXSA-N	248.366	4.658	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)C[C@H]1CC12CCCCC2	2047006387	AKYAAWMGCXUCOR-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(N[C@@H]2CC23CCCCC3)CCC1	2049672166	JYIQJUBQVXMEBZ-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CCc1ccc(C2(N)CCCCCCCC2)cc1	2049678768	OWYLMTWAQPLTQX-UHFFFAOYSA-N	245.410	4.537	0	10	BJAE	
CC1CCC([C@@H](N)C[C@@H]2CCCC3(CC3)C2)CC1	2049859671	QWQOMHYEQWEPRH-GRAKBVBRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(CN)(C[C@H]2CCC3(CC3)C2)CC1	2049864669	KBHJYXPHIQLOCN-AWEZNQCLSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H]([C@@H]1CC[C@H](C)C1)[C@]1(C)C=CCCC1	2050008020	GSPWYVOSITYTFE-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H](N)c2cccc(C)c2)C1	2050465709	UVEUPWAVJWIGJL-HLLBOEOZSA-N	245.410	4.601	0	10	BJAE	
CCC1(C)CCC(NC[C@]2(C)CC=CCC2)CC1	2051595376	XAHMWBYHKFJFBR-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H]1N(C)C1CC2(CCCCCC2)C1	2055268382	BVENMYGGSYRJCR-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCC[C@@H](C(C)C)CC2)CCC1	2055550752	UXOBNVCAJTWBGI-BRWVUGGUSA-N	249.442	4.680	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2C=CCC[C@H]2C)CC1	2055570523	YPQSGYIHYMKHHW-NCOADZHNSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@H]2CC=CCC2)CC[C@@H]1C	2055589094	SOEGEIKHARUKJP-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC1=CCCC[C@H]1N[C@@H](C)C1CCC(C)(C)CC1	2055677350	HZGKIRLWLUASFL-GOEBONIOSA-N	249.442	4.680	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2CC(C3CC3)C2)CC1	2056675388	LVVNAVCFRDHMGQ-JMVNKWJPSA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)c2ccccc2)C1	2059393276	CTPXIQJGKNVTIB-UQPPLGOBSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCCC23CCCC3)CC1	2061113805	RXDBULGKNRUUCV-RHSMWYFYSA-N	247.426	4.565	0	10	BJAE	
C=C=CCC[C@@H]1C[C@H](C)CC[C@H]1CNC(C)(C)C	2061561366	RCCJCUQIRSDART-OAGGEKHMSA-N	249.442	4.548	0	10	BJAE	
C=C=CCCC1(CNC(C)C)CCC(CC)CC1	2061563250	MYNFEAXQDMEXFK-UHFFFAOYSA-N	249.442	4.692	0	10	BJAE	
CC1(C(=O)CC[C@]23CCC[C@H]2C3)CCCCCC1	2061602403	NJJWTEDLBJVVJC-YOEHRIQHSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C[C@]12CCC[C@H]1C2	2061610587	AUKXBNACNJQLSJ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
FC(F)c1cccc(NCC2CC(=C3CC3)C2)c1	2061722058	FEJORYRZQREMAL-UHFFFAOYSA-N	249.304	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCCCC12CC2	2062018180	QWTNXNQKGFMFHD-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@](CN)(CC23CCC(CC2)C3)C1	2065328990	UBCZSCZCKSIUQD-BDVYOWHSSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC[C@H](N)[C@@H](CC23CCC(CC2)C3)CC1	2065337212	KTRBRWADTWAUTP-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(CC23CCC(CC2)C3)C1	2065340678	YHUYRHKWPGCGMR-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)[C@@H]1CCC1(C)C	2068244771	NFDHMERWGSRLBY-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	2070951023	LTOCCZJBCCMBAF-DRXUAVOGSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C[C@H]1C[C@@H]1CC	2071505646	POMPSTFHLRBFAK-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)c1cc(C)c(C)cc1C	2072416251	DDCAORZTSLNLMI-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1CC2(CCCC2)C1	2072429537	PSUFAAQQLWYWEZ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@H](O)C(C)=C(C)C	2072439682	JLICLFYTFJOCTG-IAOVAPTHSA-N	246.394	4.534	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@H]2CCCCC23CC3)CC1	2072869252	OJACOBJWAIAWHN-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@](C)(N[C@@H]2CCC3(CCCC3)C2)C1	2073063389	GESBLAITUNMVSF-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@@]12CCCC[C@@H]1C2	2074028573	ICAKFYFAXVUFIM-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(N(C)CCC2=CCCCC2)C[C@H](C)C1	2075151433	IBVQJVJARQKTGV-HUUCEWRRSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC[C@@H](CC23CCC(CC2)CC3)C1=O	2076440694	JRYOQKGLZDIGOF-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2C[C@H]2C2CCC2)CC1	2079329517	SDVFWZBVSHTKNW-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@H]1C[C@@H]1C1CCCC1)c1cccc(N)c1	2079707720	VFXUEIOUWCHZHZ-ISTRZQFTSA-N	243.394	4.589	0	10	BJAE	
CCc1ccccc1[C@@H](C)NCC(C)(CC)CC	2081217119	QMRUGIRCMYPCEW-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
CCC1CC(C[C@@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2084989702	RGWOVSPTJIFIGG-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N[C@H]2CCCC3(CCC3)C2)C1	2085245275	SGMIRCMAQYYUOS-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CC(C)CC[C@H](N)CCCCCCC1CC1	2210525512	RDNNGYVKQRSOHN-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)NCCCCCCC1CC1	2213574144	PUUXATYKPJTOCY-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](N)CCCCCCC1CC1	2213576358	PACAUHYATIXUFO-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H](C)CC(C)(C)C	2215997441	KWMMDFQLADNOIV-ZDUSSCGKSA-N	232.367	4.558	0	10	BJAE	
CC(C)(C)CCN[C@@H]1CCC[C@H](C(C)(C)C)C1	2216258673	QMXLHKCHILRHDG-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C(C)(C)CCC	2216278133	KYKBBYRAAJKKNG-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CCCC(=O)CC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216737620	LKQZNBJYMIFXEQ-ZNMIVQPWSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@H](N)CCCCCCCC1CC1	2216878548	DHHKLTDCGOSPPM-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NC[C@](C)(C[C@@H](C)C(C)C)C(C)C	2217123765	BCTVKMMNDUEDBQ-PMPSAXMXSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](C)C[C@H](CN[C@@H](C)CC)C1CCC1	2217128093	YQWPIODUIMBRDM-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@H]1CCCC[C@@H]1C	2217149580	IYHIDUBRZBKRGJ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218348095	DTXOBUKSQJGRKL-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@@H]1C1CCCC1)C1CCCCC1	2220297407	WCIHIOHBTWRFBO-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1ccc(C(C)(C)C)cc1	2220927746	KFTNBIOUPVSJCI-UONOGXRCSA-N	245.410	4.832	0	10	BJAE	
CCN[C@H](C)c1cc(F)ccc1C1CCCCC1	2221807551	NYELQIJHCAVMJG-GFCCVEGCSA-N	249.373	4.544	0	10	BJAE	
CCCCCC[C@@](C)(O)c1c(C)cc(C)cc1C	2222004675	VFMGUUGGVRILBR-QGZVFWFLSA-N	248.410	4.790	0	10	BJAE	
CC[C@@H]1CC[C@]1(N)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222950040	UNRFQWRQATWZMO-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)[C@@]1(CNC2CCC2)CC12CCCCC2	2223597759	RLWYGPZTFPKNBR-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)c1cccc2ccoc12	2224161827	DOPMZDPMJRBSLJ-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CCCCC(=O)CCC[C@H]1CCC[C@@H](C)C1	2242763591	QBHCUZKMBUSPSM-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
CCCN[C@@H](C)CCC[C@H]1CCCCC12CC2	2246627015	OCMACFMXQZBCMI-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)NC[C@H](C)CCC[C@@H]1CCC[C@@H](C)C1	2246661110	WATOUOPHLSLSEX-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C)[C@H](CC)CC[C@H]1CCC[C@@H](C)C1	2246727651	NVNJGOQVKZRPNA-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(C)(C)CNC(C)(C)C	2247165241	QEBPCWJYSOYGMX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@H]1CCC12CCC2	2247308820	SQVNRSMCECAIEY-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)NCCCCC[C@H]1C[C@H]1C	2248869078	FVEGXEKIBKXVLB-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@H](N)[C@H]1C	2250513745	JOUCEVPFVDRCEI-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(CNC3CCC3)CC2)C1	2253911737	UXOJUOJDCOECGU-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@H]2C[C@@H]2C2CC2)C1	2253920780	UZLANRGHTLUSQL-LNCBFAARSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCCC[C@H]1C[C@H]1C)c1ccoc1	2254607933	USTYTPZYZNAPQJ-IJEWVQPXSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@H]1CCCNC12CCCCC2	2254967076	DKQTWFJTHKVPST-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@H]2CCC2(C)C)c2ccccc2N1	2255026470	ITUHCYKOPDVJOW-MCIONIFRSA-N	243.394	4.801	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C[C@@H]1CCCC12CC2	2255226595	WFXBJGMVEQQPAP-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(=CCCCC[C@@H]1C[C@H]1C)C[C@H]1CCCCN1	2257238494	DIPROYOGVHDJGZ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)CCCC12CCC2	2257249010	RHQPQAJCPSVTDU-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)C[C@H]2CCC[C@H]1C2	2257316544	RSEJTSZGRCQRSC-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CN(C)C2CCC=CCC2)CC1	2257937987	APLOZRPVYXOQLH-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@]23CCCC[C@@H]2CC3)C1	2260522749	YFJHAHOCPDTLFA-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(NC[C@@]23CCCC[C@@H]2CC3)c1F	2260580847	CGNNNVMYQNGYSG-CJNGLKHVSA-N	247.357	4.516	0	10	BJAE	
C[C@@H](CC1CCC1)N(C)C1CCCCCCC1	2298880382	CLMRMIYEKBRHSO-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
C[C@@H]1CCC[C@H]1Nc1cc(C2CC2)ccc1Cl	2300672283	TWCLIXFYTQIUDP-QMTHXVAHSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@]1(C)CC=C(C)CC1	2300681026	KPEDAKSAJVPQAC-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cccc(C)c1C	2300681613	QVCIXIOHIDMCAK-MRXNPFEDSA-N	233.399	4.520	0	10	BJAE	
CCC(CC)CC[C@@]1(CN)CCC[C@H](CC)C1	2300700687	NPOAYZDDTWBCLA-HOTGVXAUSA-N	239.447	4.748	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1(C)CCCCC1	2300877891	VPTJCJNYJWNQBV-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@](O)(CC=C(C)CCCC(C)C)C(C)C	2300914224	ORWMYESDDMVIQG-MRXNPFEDSA-N	240.431	4.946	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)CC1CCCCCC1	2301958397	KJSNIDOFUPMFAA-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
O=C(CCCCC1=CCCCC1)C1CCCC1	2302332668	XHFSHYUDSUBWQG-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CC1(C)CC[C@H](CC2(N)CCCCCCC2)C1	2302683295	RLJGHVUPMVULLL-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CC(C)NCCC(C)(C)C[C@@H]1CCC(C)(C)C1	2302900827	WDORDPUMZZYFJG-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCN[C@H]1CC[C@@H]1C(C)(C)C	2303401875	PGMXAYVEOYBZOH-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)C1CCCCC1	2303469842	HEGBNCUYVSZHRF-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)Cn1ccc2cc(C)ccc21	2307806299	MNOMNWDSUQOLLT-AWEZNQCLSA-N	229.367	4.776	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@@H]1CCC1(C)C	2307819357	KSZCXGSQEPTRHA-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C(C)(C)C1CCCC1	2307897228	AAKIHGKCQIEDPN-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)C1CC(C)(CC)C1	2307904677	VURWUJOEVVXYPM-CIDNJEQPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C12CCC(CC1)CC2	2307925885	WFEROPAEXSJKQZ-VQCLRJIVSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2308125353	FBPFMEVNVHUKSS-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@@H]2CC[C@@H]21	2315887353	MLNFBKDSHNKYOC-CWRNSKLLSA-N	243.394	4.719	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@@H]2CC[C@H]21	2315887356	MLNFBKDSHNKYOC-NUEKZKHPSA-N	243.394	4.719	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@H](C)c1ccccc1	2315912157	YAPONBLIYHEDRL-RDJZCZTQSA-N	248.410	4.758	0	10	BJAE	
CCC(C)=CCNC1CC2(CCC(C)(C)CC2)C1	2316497708	UUWOPDPZZGEGLH-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@H](N)CC1CCCCCC1	2316879626	GFCAIMVXAHCVHW-OIISXLGYSA-N	249.442	4.667	0	10	BJAE	
C1=C(CCCN[C@@H]2CC23CCCCC3)CCCC1	2318543792	SHDUICPVEUUQBW-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CC1=C(C)[C@H](O)[C@H](CCCC2=CCCCC2)CC1	2318575484	FSCDDGFZTQHZIK-SJORKVTESA-N	248.410	4.764	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCC(C)(C)C1)c1ccccc1	2319118866	OFAMGEZJWFXQNC-KBPBESRZSA-N	244.378	4.576	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@H]1CC[C@@H]1C(C)(C)C	2320211125	KOVCTGWWVGGCPW-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CCC(C)=C(C)C2)CC1	2320410526	FMZNAHILFATOAY-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCCCC1CC(Nc2cc(F)cc(CC)c2)C1	2321088033	YQCPKQWMHHVYQH-UHFFFAOYSA-N	249.373	4.769	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@](C)(O)CC2CCC2)c1	2327708534	PIOGSCQZCRRMRJ-KRWDZBQOSA-N	246.394	4.516	0	10	BJAE	
Cc1ccc(N)c(F)c1-c1cccc(C(C)C)c1	2327850312	DLRCZGPWNKSNNY-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cccc(C)c2C)cc1	21030707	VGLBOVOUSDKTRN-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)c1cc(C)oc1C	36792503	RBCHPHVTAIZUTG-AAEUAGOBSA-N	237.387	4.516	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccc(Cl)cc1F	37056449	RFGXKDYCOANWKG-JTQLQIEISA-N	243.753	4.716	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc(C(F)(F)F)c1	37196455	UQXIKCFDQDPVJH-SNVBAGLBSA-N	245.288	4.696	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@@H](C)C[C@@H]2C)c(C)c1	68610951	JBSUEXFDJKSSNX-INWMFGNUSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@@H](CC)Nc1cccc(CC)c1	68985643	RHJYWRWJRBAYAQ-CQSZACIVSA-N	219.372	4.630	0	10	BJAE	
CCC[C@@H](C)CNc1c(C)cc(C)cc1Cl	83367705	GOUJMVRDPNLKAC-SNVBAGLBSA-N	239.790	4.805	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@H](C)C[C@@H]2C)cc1	85086610	QYIHQQKBYUFHJE-GRDNDAEWSA-N	245.410	4.876	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](Nc2ccccc2F)CC1	86922637	HMBDIDOWANUKNC-UONOGXRCSA-N	249.373	4.843	0	10	BJAE	
CCC[C@@H](C)CC1(O)CCC(C(C)(C)C)CC1	87164002	KFNXYDOAUHCOED-VQCLRJIVSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC)[C@H]1CCC[C@H](C(C)(C)C)CC1	92596000	HQKDRMAIXWUQGO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C/C=C\C[C@H](CC)c1cccc(C)c1C	107480771	ULFHUJVCXOLXTA-VSKVDJIOSA-N	202.341	4.763	0	10	BJAE	
CCNc1ccc(NCCC2CCCCC2)cc1	107798737	RJXYQEXQSCDAFO-UHFFFAOYSA-N	246.398	4.501	0	10	BJAE	
CCCC[C@H](CC)CNc1cc(C)ccc1OC	110158183	SZHWCGMTCUPTOW-AWEZNQCLSA-N	249.398	4.632	0	10	BJAE	
C[C@H]1C[C@@H]([C@@H](C)C(=O)c2ccccc2)CC[C@H]1C	128280594	VTKFIIJKSBKHQF-CTASWTNQSA-N	244.378	4.578	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(C)(C)CCNC(C)C)C1	133929586	GHWMXSARWNFVOB-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C1CCCCCC1	149460307	SLKGUWWXAGFOCS-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](NCC)c1ccccc1C(C)(C)C	158298633	VVEIRYRQQQINSH-INIZCTEOSA-N	247.426	4.825	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H](C)c1ccc(C)cc1	159898497	STGMBWQVQBHKQZ-LXZKKBNFSA-N	247.426	4.860	0	10	BJAE	
CCCCCC(=O)c1cc2ccccc2s1	164766150	BOQWXPXBUQDDKK-UHFFFAOYSA-N	232.348	4.664	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@@H]1CCCC(C)C	166353157	UWCVKOQJELPEMY-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C[C@@H](C)CC	167830080	LHNJZBGNJRTEIT-QWHCGFSZSA-N	212.377	4.598	0	10	BJAE	
CCCCCC[C@H](C)[C@@H](CCC)NCCC	212755597	WBHXPZLOGNNDFG-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CCC[C@@H](C)[C@@H]1C	221686901	HANRKHDVUFQBLQ-FXUDXRNXSA-N	239.447	4.616	0	10	BJAE	
CCCCc1ccc(N[C@H](C)CC2CC2)cc1	229671765	YMJXIGFUGQVNDD-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cc(C)ccc1Cl	232229237	MJSLMZDGURVCLJ-DGCLKSJQSA-N	237.774	4.639	0	10	BJAE	
CCCC1(CN[C@H]2CCC[C@H](CC)CC2)CC1	233042491	JLOFXLILYZZQMF-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)n1ccc2c(Cl)cccc21	233286554	ODRRZDZMIDFSEG-SNVBAGLBSA-N	221.731	4.656	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)C1(C)CCCCC1	233538445	GKAHPLVHHZENKR-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
Clc1ccc2c(c1)[C@@H](CCC1CCCC1)CN2	236069078	ADBFDBUDUMCMGP-LBPRGKRZSA-N	249.785	4.820	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@H]1C(C)C)c1ccco1	251270217	OUQOFOVOMMVKBD-SOUVJXGZSA-N	249.398	4.535	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)C[C@H](C)CC(C)(C)C)C1	252904988	REPVYNQJBVWGJP-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	253183984	GZIFXBIQVMZXAZ-APIJFGDWSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CC[C@H](c2cccc3c2CCCN3)C[C@H]1C	300116476	NXOWODOAWCCFJV-MCIONIFRSA-N	243.394	4.584	0	10	BJAE	
C[C@@H](C[C@H](O)C1=CCCCCCC1)C(C)(C)C	300143027	VMLITZKXYCSVEW-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCCC(C)(C)C)C1	300863501	MHVCNJUYMHGAGQ-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)C(CC)CC	300905952	JLEAZSBMLQXRND-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1cc(C)c(C)cc1C	302429211	RXROBOGSCWRQSU-SJCJKPOMSA-N	247.426	4.699	0	10	BJAE	
CC(C)C[C@@H](C)CC1(CNC(C)C)CCCC1	305926170	IVQAUMPEYOWAPG-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)cc2cc(C(F)F)sc12	307119486	ZJUSTZXLUBFLRE-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)c1ccsc1C	308035254	SHXZXWZSENRQPE-OCCSQVGLSA-N	240.412	4.552	0	10	BJAE	
CCCc1ccc([C@H](N)[C@@H](CC)CC(C)C)cc1	308085251	VJRFOWFNHTVBOU-DOTOQJQBSA-N	247.426	4.711	0	10	BJAE	
CCN[C@@H](CC1CCC(C)(C)CC1)[C@@H](C)CC	310110389	FHMKJPRKRXOUAK-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@]2(N)CCCCC2(C)C)C1	310141719	NDXUTLINGSFSLS-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(O)CCC(C)(C)CC2)C1	310187035	XVIFZLVJAHWACZ-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(O)CCCC[C@@H]1C(C)(C)C	318749796	BRFWBJDJTTZVBE-AYDFFVQHSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@H](C)C(C)C	319521104	FRFGJUJMDJSASN-CYBMUJFWSA-N	220.356	4.542	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cc2cc(C)ccc2o1	319658844	FKYMLEQGESWRQB-RYUDHWBXSA-N	244.334	4.606	0	10	BJAE	
CC(C)CCCCCN[C@H](C)CCC(C)C	383145254	NIFUUWHFEWOQHO-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCCN[C@@H]1C[C@@H](C)C[C@@H](C)C1	383273459	NUXIIXWWMMJOGI-ZSHCYNCHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)C1(CCC)CC1	383427985	BKYAHTGUIMSNTA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CNC(C)C)C[C@H]1CCC[C@@H](C)C1	383686351	PUZWJFQYPQXYJK-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](CN)[C@H](CCC2=CCCCC2)C1	384942749	KFDHFYPSNHAWLY-CVEARBPZSA-N	249.442	4.668	0	10	BJAE	
CC1CCC(C[C@]2(C3CC3)CCCCCN2)CC1	385188859	NQEMPNGCDITVBZ-DQPZFDDXSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(NCC(CC)(CC)CC)cc1	395134630	UGZRKUPCXHRPNC-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
C[C@@H](CCC1=CCCCC1)[C@@H](O)c1ccccc1	395323869	NSPYBMQNVNEIEP-WMLDXEAASA-N	244.378	4.637	0	10	BJAE	
CCc1c(SC)cc2sccc2c1CC	396177462	MEHJNIQFMFAVKY-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CSc1cc(C)c2c(C(F)F)csc2c1	396401963	GBSDADKCCJAVCU-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCCCC[C@](O)(CCC)[C@@H]1CC1(C)C	397736122	GRXVOYHQTLVYOW-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1C)[C@@H](C)C(C)(C)C	399154548	HBGOYJWDLFTCNC-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
CCCC[C@](C)(O)c1ccc(C)c2ccccc12	399910179	HAOZSRILDJBXCM-KRWDZBQOSA-N	242.362	4.546	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C1(C)CCCCC1	400396867	MOXPLQKVNSTYQU-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@H]1CCCC1(C)C	402340776	JQCXCYYGMYLTFN-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@@]1(C[C@H]2CC=CCC2)CC[C@@H](C)C1	402383700	IVDZLVMHZCLDEB-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H](CC)CC(F)F	688729291	HWWGJMZURPDHIK-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCNC[C@H](C)[C@@H](C)c1cccc(C(C)C)c1	688971106	KQNOOXOJWSACTJ-LSDHHAIUSA-N	247.426	4.549	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CC[C@@H](C)SC2)cc1	689403662	WPRJFFGSYNCQEB-IUODEOHRSA-N	249.423	4.506	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1Nc1cccc(C2CC2)c1	690078050	UJAHATBIZDDBNR-WBMJQRKESA-N	243.394	4.801	0	10	BJAE	
CCC(C)(C)[C@H](C)NC1CCCCCCC1	695149850	CRNOKZPGADYWPW-ZDUSSCGKSA-N	225.420	4.514	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C(C(C)C)C(C)C	697760460	MQFAHWDITFYDQQ-OAHLLOKOSA-N	239.447	4.639	0	10	BJAE	
CC[C@H]1CCC[C@](CCC=C(C)C)(CNC)C1	698025096	QLYKMTRKPPVHEJ-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC1C[C@@H]2C[C@H]2C1	698032236	KYMTZYDVVPNSAA-HZPDHXFCSA-N	244.378	4.543	0	10	BJAE	
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CCCN[C@@H](C[C@@H]1CC12CCCC2)C1(C)CCC1	2047009844	RYKYRFWDSLNRRH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@H]1C(C)=CCC[C@@H]1C	2048876923	KIPWZJFMHORCEH-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@](CCC2CC2)(CNC2CC2)C1	2049493930	WWAFQFKZKNLTOY-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@H](N)CC2CCC3(CC2)CC3)C1	2049938395	QHJBFEYBZXTBJS-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2CCC=CCCC2)C=CCCC1	2049992960	RXSHZKSQDZGNFV-NVXWUHKLSA-N	246.394	4.829	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2C3CCCC2CCC3)CC1	2050041595	KBLRJPRJEJVCFM-HHPWFTGOSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc([C@H](N)CCCC[C@@H]2CC2(C)C)c1	2050460863	NOZCLDMJVFBSMH-HZPDHXFCSA-N	245.410	4.601	0	10	BJAE	
CN(CCCC1CCC1)C1CCC2(CCC2)CC1	2051646648	UPMFLHQUUHXICZ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CCCCC12CC2	2053330761	DYUHTXTXTIJLHG-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CCCC[C@H]2F)c1	2055144678	FLNNWTIUXKADRS-CABCVRRESA-N	249.373	4.504	0	10	BJAE	
C[C@H](CC1CCCC1)NCC1(C2CC2)CCCC1	2057648121	HWYLQBWVSMUHDW-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H](C)c1ccccc1)NC	2059262212	KNSUYLLFPHQEME-GWOVIKRFSA-N	245.410	4.515	0	10	BJAE	
CCc1c(C(F)F)ccc(Cl)c1SC	2060059247	HQHYSBWXUVBGOE-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CN[C@@H](C1=CC[C@@H](C)CC1)C1(C)CCC(C)CC1	2060920152	CBSFXOOAACSWDV-CGBMDKKTSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCCC1	2063476860	MSCYDUFYIFMAEF-LLLHUVSDSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CC12CCC(CC1)C2	2065273828	AYAXKITYACUVJN-FDVNEVKMSA-N	246.394	4.518	0	10	BJAE	
C[C@@H](NCC1CCC2(CC1)CC2)C1(C)CCCC1	2067508089	IQMRHDWRULLMPX-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC[C@H]1CCCC12CCC2)C1(C)CCCC1	2067520749	OYGNDAYLUDKRFU-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CNC2(CC3CC3)CCC2)CC1	2069492017	LWZMONLKKORHMP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCc1cccc([C@](C)(O)CCC=C(C)C)c1	2070391819	BKNOYODOWBAQIL-QGZVFWFLSA-N	246.394	4.593	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@@H](C)C1CC=CC1	2070809688	CDJDWMZSDMEYLI-XIRDDKMYSA-N	249.442	4.536	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C[C@@H]2CC=CCC2)CC1	2072702431	LXJDHPUTJGEJJC-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CC(C)CN(C1CCCC1)[C@H]1C=CCCCCC1	2074796485	IDVUGLUFHUHAFV-INIZCTEOSA-N	249.442	4.776	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2CC[C@H]2C2CCC2)c1	2077261723	CTOXXMQQPPHJNN-RDJZCZTQSA-N	241.378	4.555	0	10	BJAE	
Cc1cc(C)cc(NC[C@H]2C[C@H]2C2CCCC2)c1	2079640146	LLMCCUVEQWBORX-WBVHZDCISA-N	243.394	4.542	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(CNC(C)C)CC=CCC1	2079670043	KKGGAROBPIWLLU-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)C[C@@H]1C[C@H]1C1CCCCC1	2079670115	KVAFBGVELKPPPF-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C[C@H]2C2CCCC2)CCCC1	2079861034	FFQSLJQJSVIQIN-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(N)C[C@H](C)CCC1=C(C)C	2079871663	UZPCBMRXCOCVPD-ANQUJSFKSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@]12CCCC[C@@H]1C2	2081786580	RVJURSAFFQFIOF-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2C[C@@H]3CCC[C@H]32)C1	2082981175	BENSHGBJCIXQGX-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@H](C(C)C)C1	2085239905	KRRNMYGSIBKBQY-JKSUJKDBSA-N	245.410	4.876	0	10	BJAE	
CCC[C@H]1CCC[C@@H](n2ccc(C)c2)CC1	2211149072	OWQSHHIXDMVDCY-LSDHHAIUSA-N	219.372	4.718	0	10	BJAE	
FC(F)CCCCC/C=C/c1ccccc1	2212252820	XSPYPZFGHNKNAD-WEVVVXLNSA-N	224.294	4.915	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)CCC(C)C	2212591573	YYJKZPFRDIOBHL-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(C(=O)CCCCCCC2CC2)co1	2213578779	PUQLDFGTICWLFH-UHFFFAOYSA-N	234.339	4.521	0	10	BJAE	
Fc1c(Cl)cccc1C/C=C/c1ccccc1	2213821388	CVYZVGGUTBNFSK-XBXARRHUSA-N	246.712	4.735	0	10	BJAE	
CCCCCC(C)(C)CNCC[C@@H]1C[C@@H]1CC	2215313771	UKHRBQHWQWPQGI-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC(O)(CC)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216744324	JTGFJYQUTKNNFQ-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
C[C@@]1(CCCCCCCC2CC2)CCCNC1	2216862537	LAOHSEAWYSYYAZ-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CC1(C)C[C@@H]1[C@@H](N)CCCCCCCC1CC1	2216864601	UTWSQVQIJZGFDZ-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@H](C)[C@H](C)CC	2217139769	XBCJQUBBLFFXEW-KLHDSHLOSA-N	241.463	4.863	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CCCC12CC2	2217240579	GUCSGNCGRDOPFJ-CQSZACIVSA-N	249.785	4.647	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1CCC2(CC2)C1	2218725039	KRRPTUYZPKUIOQ-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C/C=C/c1ccccc1	2219082873	AFYGEQLJUWKPLO-GYPZGHTGSA-N	245.410	4.634	0	10	BJAE	
CCC1([C@H](N)CC2(C)CC3(CCC3)C2)CCCC1	2221023415	RDGICQMFXZECBL-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)(C[C@](C)(N)C23CCC(CC2)C3)C1	2221024294	ZYCNMQRMTWDKCQ-PWZRNIHTSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@@](N)(CC2(C)CC3(CCC3)C2)CCC1	2221070300	AYXJXZFFERUBPQ-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCC(CC)[C@@]1(CNC2CCC2)CC=C(C)CC1	2223584797	XONXEUBJLDRWQW-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](O)c1ccc(C2CCC2)cc1	2223684119	NTKLEYLETGMBDO-YATRRXNKSA-N	244.378	4.734	0	10	BJAE	
CCC(C)(C)C[C@H](NC)c1ccc2occc2c1	2224147298	RWJYXGZLVMAVNA-AWEZNQCLSA-N	245.366	4.520	0	10	BJAE	
CCC[C@H](CC)C(=O)[C@@H]1CCC[C@@H](CC)C1	2244775294	MKLOYANGFOUYDE-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)c1ccc(C)s1	2244782921	OQPVZTJLTUJPIZ-JSGCOSHPSA-N	239.428	4.533	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC[C@@H]1CCC[C@@H](C)C1	2246726444	LQRCRXXHPCFDNE-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(N[C@@H](C)[C@@H]2CC23CCC3)c1Cl	2248282644	GKVACWKVEUBKLM-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2CC23CCC3)cc1Cl	2248292094	QQKFDMJKVYIFLW-DGCLKSJQSA-N	249.785	4.639	0	10	BJAE	
Cc1cc(C(=O)[C@@H](C)C(C)C)cc2ccsc12	2248567977	MPEPEVJNXJBPHO-NSHDSACASA-N	246.375	4.685	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCCC(=O)C1CCCC1	2248868118	ZKACHPLRCVBKNF-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)C2CC3(CCC3)C2)C1	2253935837	PTRKOQJVOHBUJY-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC[C@]2(C)C=CCCC2)C1	2253956035	BXMUGUPFAJUVFV-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc([C@H](N)CCCCC[C@H]2C[C@@H]2C)cc1	2254526987	CEPSNHCELSEVFI-BHYGNILZSA-N	245.410	4.601	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](C[C@@H]1CCC1(C)C)N2	2254858226	WHPKVMYDQRTXAQ-GJZGRUSLSA-N	243.394	4.548	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@H]2CCC2(C)C)cc1	2255013738	OCRSGSOEFLIQIA-OAHLLOKOSA-N	244.378	4.819	0	10	BJAE	
CCC1CCC([C@H](N)C[C@@H]2CCCC23CC3)CC1	2255222222	AHGRLDSMPUGPSR-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCCCC[C@@H]1C	2256143876	HSIHJTJQBSEBES-WFASDCNBSA-N	249.373	4.769	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)[C@H]1CC12CCC2	2256410195	KJBXACMHXRAVHF-DZGCQCFKSA-N	243.394	4.548	0	10	BJAE	
Cc1ccc(OCCCCC[C@@H]2C[C@@H]2C)cc1C	2257244493	BPFOTSUBFUSUMO-JKSUJKDBSA-N	246.394	4.899	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H]3CCCC[C@@H]32)cc(C)c1C	2258233443	NSHQWXOQGPRQRS-BHYGNILZSA-N	243.394	4.602	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)c1c(C)cc(C)cc1C	2259443963	NQOVEONLHUCQGI-RDJZCZTQSA-N	247.426	4.699	0	10	BJAE	
CCCCc1ccc([C@H](O)[C@@H](CC)CCC)cc1	2259445497	VNFRSILUJQCGNY-DOTOQJQBSA-N	248.410	4.889	0	10	BJAE	
CCCC1(C[C@H](NC)[C@]23CCC[C@H]2CC3)CCC1	2260493081	RSWLOLHXXZVIGD-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C[C@]12CCCC[C@H]1CC2	2260606154	PUFRIOTXZLYSOS-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@]12CCCC[C@@H]1CC2	2260630207	VZDXMAOQZPTLQM-IXDOHACOSA-N	249.442	4.811	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H]1CCNc2ccc(F)cc21	2261338841	MKHHKCCBRONAKK-CHWSQXEVSA-N	249.373	4.797	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@@H](C)CC1CC1	2298916015	LGTGHLAIDZOMTB-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CC1(C)CCCC1	2300908087	ZNWLMHRBKKFJEQ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CCC1CCCC1	2300908430	DDKYYMMDONUBFM-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@H](CCC[C@H]1C[C@@H]1C)NCC	2302611192	BLDCBDOJYNVTMD-QLFYQDEUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C[C@H](C)C(C)(C)C)NC	2307896226	YSHSXECFVUMSAR-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)[C@@H](C)C(C)C	2307904054	RFJJFWARSWHYLL-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC1(CCN[C@H]2C[C@@H]3CCCC[C@@H]32)CCCCC1	2308269017	DMTDKGGKVRYWJE-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@H]2[C@H]3CCCC[C@H]32)CC1	2311014866	MWUPQJSVFXIJON-JHJNDJDLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)N(C)[C@@H]1CCCCCC12CC2	2313602763	CTRGBTAIEWAGEA-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@@H]2C[C@H]2C1	2315873503	WJICDPOUHYMXCI-OWCLPIDISA-N	243.394	4.719	0	10	BJAE	
CCC(CC)CCN1C[C@@H](C)[C@@H]1c1ccccc1	2316238716	FPEVAKTUKMZRTP-RHSMWYFYSA-N	245.410	4.506	0	10	BJAE	
CCC(CC)CC=C1CCCNC12CCCCC2	2316240459	NEOVUXBKWNOXNV-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCC(C)=CCN1CCC[C@H](C2CCCCC2)C1	2316518325	HUEFVWDFBOEHDW-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CC(=CC[C@]1(N)CCC2(CC2)C1)CCCC(C)C	2316534015	ALKXCQGRYMEWBM-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
C1CCCC(C[C@H]2CCNC3(CCCC3)C2)CC1	2317001632	MNGJDBRHDWEIMF-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCC(CC)CC(=O)c1ccc(F)cc1C1CC1	2317109509	PKGZSTGKPOAQQO-UHFFFAOYSA-N	248.341	4.712	0	10	BJAE	
CCCCCCc1ccc(C)cc1CNC(C)C	2318369367	OFDRXJYXILJJJI-UHFFFAOYSA-N	247.426	4.616	0	10	BJAE	
NC[C@]1(CCCC2=CCCCC2)CCC12CCC2	2318576194	MTSKQJLQLUHJEZ-KRWDZBQOSA-N	247.426	4.566	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)C1CCCC1	2318576348	OCGAYALGOBUQKC-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)C[C@@]23CCCC[C@H]2CC3)C1	2319001224	RKERKSZBOZSYFO-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2319131197	MNPNYOLZYJXYRE-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)CC(C2CC2)C2CC2)C1	2319288999	ODNLMAGXHKBWNY-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)(C)C1)[C@@H]1CC=CCC1	2319327189	UJVRJHKPNBOPHH-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1NC1CC2(CCCCC2)C1	2320143197	GYABXJNGCIMLAL-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)[C@@H]2CC23CCCC3)C1	2321602612	JKLJLTQQBQPSGF-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC2CC2)CC=CCC1	2328082434	CEGBSFNPJQJMEA-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2cccc3c2CCCC3)C1	19990897	TXZUBZCAZTXXBJ-DZGCQCFKSA-N	243.394	4.556	0	10	BJAE	
CCC(CC)Nc1ccccc1-c1ccccc1	20564627	AVHHJRYMYNQUSX-UHFFFAOYSA-N	239.362	4.954	0	10	BJAE	
CCCCc1ccc([C@@H](C)NC(CC)CC)cc1	21512082	KGNDBJVDVHTVKX-CQSZACIVSA-N	247.426	4.868	0	10	BJAE	
CC[C@H](C)c1ccc(NCc2ccc(C)o2)cc1	36953409	GQFOIUWQNPJGCE-LBPRGKRZSA-N	243.350	4.714	0	10	BJAE	
CC(C)=CC1(O)CCCCCCCCCCC1	38846659	MKXNXOZPYAPYMS-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC(C)(C)C2)cc1C	79971036	UCHNOMYTZQMGAU-HNNXBMFYSA-N	231.383	4.684	0	10	BJAE	
CCC[C@@H](CC[C@@H]1CCCC[C@@H]1CC)NCC	80410861	FLTDIMLNRPXYEU-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CCC)c1ccccc1	81162467	JKYBASZDTYCZKW-HNNXBMFYSA-N	204.357	4.935	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCCC1(C)C	86856707	ZGLFOZZIZIOLBF-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CSc1ccc(N[C@@H]2CCC[C@H](C)CC2)cc1	86878439	DUOGXCCKEHMTSQ-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
CC(C)c1ccc([C@]2(O)CCC[C@H](C)CC2)cc1	86892862	PHSVCUZHVYEWRS-YOEHRIQHSA-N	246.394	4.598	0	10	BJAE	
CCC1CCC(C(=O)c2ccc(F)cc2C)CC1	87934007	YRYOTTCMBLXVIN-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@H](NC(C)C)[C@H]1CCCC[C@@H]1CC	93074304	DGPXQGAPKOWRMJ-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](C)C[C@H](CNC(C)C)c1cccc(C)c1	93126870	NGHZRWIDXZQGOP-WMLDXEAASA-N	247.426	4.513	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCCCC2(C)C)c1	94275220	ODGKLSKKRXSSAO-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](CC)c1ccco1	103974434	MMWHCSGQTIIMAJ-KBPBESRZSA-N	237.387	4.679	0	10	BJAE	
C/C=C\C[C@@H](C)c1ccc(SCC)cc1	107604539	DKGWXSXPMSWAIP-TXNVCOODSA-N	220.381	4.868	0	10	BJAE	
CCCCc1ccc([C@@H](C)NCC(C)(C)C)cc1	109922371	MHEFOVYOOYZOLV-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
CC[C@H](N[C@@H](C)c1cc(C)c(C)cc1C)C(C)C	109929162	FMIHKQFHFAQVDC-RDJZCZTQSA-N	247.426	4.697	0	10	BJAE	
CCc1nc2c(C(C)C)cccc2c(Cl)c1C	110471338	OJEFCXLAWPNIRD-UHFFFAOYSA-N	247.769	4.882	0	10	BJAE	
C=C(C)c1cc(Cl)c(Cl)c(Cl)c1	144363433	KWGFFQGQCMUBAW-UHFFFAOYSA-N	221.514	4.680	0	10	BJAE	
CCC(CC)[C@@H]1CCCCC[C@@H]1CNC(C)C	155831504	FWHBYDRUSBFYCS-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](c1ccccc1C)C1CCCCCCC1	159031435	GHPKAEVPVVKWIH-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCN[C@@H](C)CCC[C@H](C)CCCC(C)C	196384076	YEGSINHJUAZIEC-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)c1c(C)cccc1C	215909602	RDQYYUFDOHDUKZ-INMHGKMJSA-N	246.394	4.553	0	10	BJAE	
Cc1cccc(N[C@H]2CC[C@H](C)[C@@H](C)C2)c1C	220572797	MMHZBSHCMQPEMS-WHOFXGATSA-N	231.383	4.540	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](CCCC(C)C)NC	229174007	MQJJHBPTOANWGZ-SJORKVTESA-N	247.426	4.595	0	10	BJAE	
Clc1ccc(N[C@H]2CCC23CCCCC3)cc1	230161555	QULPFUIDJAJYQO-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
CCCCCC[C@@H](O)c1scc(C)c1Cl	232940785	DDQAWFOQYIXKGH-SNVBAGLBSA-N	246.803	4.714	0	10	BJAE	
Cc1cc(F)cc(C)c1C(=O)C1(C)CCCCC1	235738085	AEUBKJNPTYCPSF-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCC(CC)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O	250790674	ZLRQYXOBHDEGMV-BPLDGKMQSA-N	240.431	4.636	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1C[C@H]2CC[C@H]1C2	252896022	AUOMDVDXRGBOJH-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCC[C@H](CC(C)C)C1	300311369	YFPKRLCENJKLJL-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCCC(C)(C)C)C1	300882848	OSOHZGRKYNHLQH-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)CCCC(C)(C)C	300915485	SNRQNZLRAKDBEO-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C1=CCCCCCC1	302542845	UCVVBSJLIWOEPS-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CCCC/C=C(\CCC)c1ccc(O)cc1	309059142	VBXMBHGHARBVNO-MDWZMJQESA-N	218.340	4.766	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)c(CC)c1)C1CC1	310309677	TXGXFUKCADIAGD-MRXNPFEDSA-N	231.383	4.548	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Oc2ccc(C)c(C)c2)C1	310324711	YMLHOBAGKTUYBJ-HUUCEWRRSA-N	232.367	4.651	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1(C)CCC1)NCC	310498929	IUDCUUQWPQMFSP-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@@H]1CCC[C@@H](C)C1)NCC	310526066	OUWSSIASXRNUHH-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CNc1ccccc1OC(C)C	310582381	ZXIUDGUECVNUPY-AWEZNQCLSA-N	249.398	4.568	0	10	BJAE	
CC1(C)CC[C@@H](N[C@@H]2CCCC23CCCCC3)C1	313038138	IPTONXHEMQCSCL-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@]1(CNCC(C)C)CCC[C@@H](C)C1	317935428	SBYYKWLTTNUCIK-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCOc1ccc2c(ccn2[C@H](C)[C@@H](C)CC)c1	319573381	HLMXGQAXBHVKIG-QWHCGFSZSA-N	245.366	4.647	0	10	BJAE	
CCCN[C@@H](c1ccoc1)[C@H]1CC[C@H](CC)CC1	328494584	ZPYIRNRRDSCQDG-IIAWOOMASA-N	249.398	4.537	0	10	BJAE	
CCC(CC)n1ccc2cc(OC(C)C)ccc21	384622019	UEBCELAAAVLRLP-UHFFFAOYSA-N	245.366	4.790	0	10	BJAE	
Cc1ccc([C@@H](O)CCC2=CCCCC2)c(C)c1	386298051	QSKKZESVGMPWFP-KRWDZBQOSA-N	244.378	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cscc1C	387075476	ZRNXFOYQXGXVIZ-ZYHUDNBSSA-N	225.401	4.683	0	10	BJAE	
CCC[C@](O)(c1cc(C)c(C)cc1C)C(C)(C)C	395309831	ORVXNEZUQGQPOX-KRWDZBQOSA-N	248.410	4.646	0	10	BJAE	
CCc1ccc2c(CC)csc2c1CC	396207958	SHABNBMVEKOILE-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@H]1CC12CCCCC2	401543642	OEFSAQRVXXYIOQ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)C1(C)CCCC1	402185959	XUCTYNDPFFFHRA-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](Nc1ccc2c(c1)CCCC2)C1CCC1	404724976	WZDJLSYLXOVKLY-QGZVFWFLSA-N	243.394	4.556	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1CC12CC2)NCCC	687497959	YBFBNHCVPLWSHJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)CC2CCCC2)cc1	689720077	RSCMESZMVPTTIT-CABCVRRESA-N	245.410	4.614	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)[C@H]1CCCC2(CC2)C1	695984806	NHXPGUHPWHUNSD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCC[C@@H](C)C1	696593361	LUKAQUPBCKPMJJ-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCC[C@H]1CCC[C@@H]1CNC(C)(C)C	697774498	OWGLQHAFYBSOBZ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)CCC12CCCCC2	703753009	PJYNSMMMKLISFM-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](NC[C@]1(C)C[C@@H]1C)c1ccccc1	704220767	CSPXEKNEJVHUOT-XIRDDKMYSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@@H](C)CC(C)(C)C	709120900	ATYHUWJPAWDIAY-HZSPNIEDSA-N	228.420	4.636	0	10	BJAE	
C[C@@H](CNCCCC1CCCC1)CC(C)(C)C	709132393	XISWZZWYAAEMSQ-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CC(CC)CC)CC(C)(C)CC	710180421	KXTBKEKUGNQBRR-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@](N)(C[C@@H](C)C(C)(C)C)C1CCCC1	710718183	DXWPXTJNYGEKSH-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]3CCCC[C@@H]32)CCCCCC1	712517119	DQLJPZGQHZNVKN-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CC(C)(C)C(C)C)C1	713171857	AAYJPKXKJBPYAF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCCCCC1CC1	716378744	KEPKGTYQZNSQEQ-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCNC[C@@H]1CCCC[C@H]1CCC(C)=C(C)C	718498208	WBDYEWDOMKQQOU-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CCCC[C@H]1SCC1CCCCC1	1188675580	AQIDVGNZGIZNBA-GXTWGEPZSA-N	226.429	4.879	0	10	BJAE	
Cc1cc(C)cc(N(C)C[C@@H](C)CC(C)(C)C)c1	1190457410	LLJHODNKOBWMFU-HNNXBMFYSA-N	247.426	4.812	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC[C@@H]1C[C@H]1C	1897173398	SWVKRDILCRJHFN-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](CC=C(C)CCCC(C)C)C(C)=O	1900867088	RKFJNFNZWLUPGP-OAHLLOKOSA-N	224.388	4.764	0	10	BJAE	
CC(=CC[C@@](C)(O)C(C)C)CCCC(C)C	1900874227	IVSAXJFZKTXOLN-OAHLLOKOSA-N	226.404	4.556	0	10	BJAE	
CCC[C@@H](CC)CN(C)CC(C)(CC)CC	1905318604	DZDUAIVELYUDPS-CQSZACIVSA-N	227.436	4.571	0	10	BJAE	
CCCC[C@](N)(CC)c1cccc2ccsc12	1920136673	GZTAAYLLNYWKTO-OAHLLOKOSA-N	247.407	4.656	0	10	BJAE	
CCCc1ccc([C@](N)(CC)C[C@@H](C)CC)cc1	1920196324	ICYMHNCRLMLCCV-YOEHRIQHSA-N	247.426	4.639	0	10	BJAE	
CCCC1CC([C@H](N)c2cccc(C(C)C)c2)C1	1921265868	GAJUOCLLSOEWAY-QWFMPGPPSA-N	245.410	4.636	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@]1(CN)CCCC12CCC2	1921632552	ICWCJHPHOBZXNX-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@H](NC[C@@H]2C=CCCCC2)CC(C)(C)C1	1925916555	HERROTUDLNTVEX-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCNCc1c(C)cc(C)cc1C	1926179378	XJGOFCXNLPBBLC-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
CCC(CC)C[C@H](NC)c1ccccc1C1CC1	1926382068	NQGMHOLNGKLEIX-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC1CC(CC(=O)c2ccc3sccc3c2)C1	1940685126	YHHUOLUNVWKUDL-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1[C@H](C)CC[C@@H](C)[C@H]1C	1940845682	HASKKYYBLMXPNX-IBEHDNSVSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)CCCC1CCC1	1941463910	JXQZORWEAPXCQR-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(O)CCCCCC1CC1	1941576971	WFGZAEAJLZKDJW-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@H](O)[C@@]12CCCC[C@@H]1CCC2	1944138766	CMBSJIXWUMTQMN-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H]1CCC[C@@H]1C)NC	1944819536	LCACCCKYFUUCRM-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCC1(N)CC(C2CCCC2)C1	1945948535	YGXSMIQDBJPEKN-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948584116	CIIPVONONKCPHK-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](N)CC1CCCC1	1949861874	KHQPQUSQDRUWGT-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC)CCC[C@@H](C)CC1	1950929862	KOUFWBAJWQPSMF-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCC=CC[C@H](CC)c1cccc(OCC)c1O	1951308352	FHEIFHDMKGKHCF-ZDUSSCGKSA-N	248.366	4.641	0	10	BJAE	
CC(C)(C)C(=O)CC[C@@H]1CCC=CCCC1	1978271697	DXCVQIXLKNHZMA-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CC(C)[C@H](C)CC1(N)CCCCCCCC1	1988313967	VVJKBCILPNPPTP-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)C(=O)CC1(C(C)(C)C)CCC1	1989448818	NEIWWCXOZVLGES-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@](N)(CC)CC1CCC(CC)CC1	1989815050	VJQVBGHCRXFLSB-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CCCC1CCC(C[C@H](C)C(=O)CC)CC1	1989836471	GDGANUMFXAWEBS-HSBZDZAISA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1995759486	QCZMWQZNJCXYDM-FICVDOATSA-N	239.447	4.569	0	10	BJAE	
CCSc1cccc(NC[C@H]2CC[C@@H](C)C2)c1	1996220317	WCDUSWXAHRUUNG-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(C)CCC=C(C)C)CC1	1997209326	VVPBHXBVTIHTON-JKSUJKDBSA-N	237.431	4.633	0	10	BJAE	
CC(C)(CCC(=O)[C@@]1(C)CC=CCC1)C1CC1	1997601640	KEMYJCWGEAUWTE-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@@H]1C=CCCC1	1998377077	JCTKKMFOHDQURV-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCC(=O)c1ccc(C(F)F)cc1	2000182535	RCFBHDVNJYBISU-UHFFFAOYSA-N	238.277	4.553	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCCC(C)(C)C)C1	2000190310	LRDURRHFARXDSE-JSGCOSHPSA-N	236.399	4.764	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCC(C)(C)CC	2000193295	JKIIORADCYSHQE-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C1(C)CCCCCC1	2000370591	DECLYLYNLXXWSA-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1CC12CCCCC2	2001255841	OWXQOECPGYOCNY-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
Clc1cccc2ccn([C@@H]3CC[C@@H]4C[C@H]4C3)c12	2001461145	ABINVOCFDWNXRX-FRRDWIJNSA-N	245.753	4.656	0	10	BJAE	
CCC1CCC([C@@](C)(N)[C@H](C)[C@H](C)CC)CC1	2002970340	NRPGRGDYGKXWPT-KBJXHQRYSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(N)[C@H]1CCC[C@@H](C)C1	2002998766	OAYKPJBYZNRXBS-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(NC1CCCCCCCC1)C(C)C	2003097515	GQPNVZGOJBWNEJ-UHFFFAOYSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CC[C@@H](CC)C1	2004234999	VXRKIWYASWESHW-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(O)([C@@H]2CCC[C@@H](C)C2)CC1	2004339135	LQAIAHBDKOARCA-WXLSXGNJSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CCC(O)([C@@H]2CCCC[C@H]2C)CC1	2004354238	WSIJEENSUAIZEK-WXLSXGNJSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCCCC12CC2	2005535812	HWXNGAMUZLSOGL-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]1Oc1ccc(C(C)(C)C)cc1	2006725056	DTIKHRUOZYQWOM-IUODEOHRSA-N	232.367	4.552	0	10	BJAE	
CC1(C)CC[C@H](CCCC2(C)CC2)[C@H](O)CC1	2009421415	VGYWSTIOIXIWSU-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@@]1(N)CCCC[C@H]1C(C)(C)C	2009569929	VBPTZICGGWDDGC-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCCCCC1CC(NCC[C@H](C)CCC)C1	2009717439	JMRREAJTXDCKTM-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CC=CCCCN[C@H](C)C1CCC(CC)CC1	2011434255	MIHDJSYRVMIKHO-QQFBHYJXSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCCC(=O)C1CC2(C1)CC2(C)C	2012242250	VQXAUTUCBZBANN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)CCNc1ccc(C(C)(F)F)cc1	2012749738	QZHAQSMPEUZFLL-LLVKDONJSA-N	241.325	4.646	0	10	BJAE	
CC(C)C(CCC(=O)CC1CCCC1)C(C)C	2015379380	YBNDHPBRRLSSKV-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC1(CC)CCC1	2015600141	YDXNAXJANNIOAX-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCN(CC(C)C)CC1(C(C)(C)C)CCC1	2017124718	HWEXYRSWUAWDCR-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCCCC[C@H](CC1(C(C)C)CCC1)NC	2017144327	UISAUDMSAUFOLS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC1(CC)CCCN(CC(C)=C(C)C)CC1	2017461136	FXDYPAPQODKAKX-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CCCCC1CCC([C@@H](N)C(C)=C(C)C)CC1	2017485745	GWAMAKXUGUYBLT-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](C[C@@H](C)CC)NC)CC1	2017654536	FHGIGIHTWZOJPG-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CC1(C(C)(C)C)CCC1	2017698825	BPKKAUHGJHRQCV-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@](C)(CNC)C[C@H]1CC[C@H](C)CC1	2017731494	RWVIZBOUXYRYCA-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(C[C@@H](O)C(C)(CC)CC)CC1	2017776549	QGQNBGIGOOMVSZ-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)C[C@H](C)CC(C)(C)C	2017787780	LAXIWLKNBJGLDG-ZIAGYGMSSA-N	241.463	4.815	0	10	BJAE	
CCCC1(C[C@@]2(CN)CCC[C@H](CC)C2)CC1	2018974222	KIEWAVYGGBCXSX-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CCC[C@](O)(CC)C[C@H]1C[C@H]1C1CCCCC1	2022452259	VLPPZYOFIMDCIA-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC(C)CC(=O)C[C@H]1C[C@@H]1C1CCCCCC1	2022553707	IEVDOHJWRBXFHQ-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCCCCN(C[C@@H]1C[C@@H]1C(C)(C)C)C(C)C	2022620508	NOAPDUSGMGBTGF-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCCC1(C[C@@H](CC=C(C)C)NCC)CCC1	2023334864	BUPWATFTIKTOGZ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C[C@@H]1CCCC(C)(C)C1	2024092097	OBZRJHUPBRZHDK-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(C)CCCCCN2)C1	2024097908	YVFAOMFPUIIENE-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(C)CCC[C@@]2(C)O)C1	2024116158	GZSLCKNPMOOHTH-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CN(C[C@H]1C=CCCCC1)c1cccc(Cl)c1	2024669391	RXGIJZCXDYVGKM-ZDUSSCGKSA-N	249.785	4.523	0	10	BJAE	
CCCC1(C[C@@]2(O)CC(C)(C)C2(C)C)CCC1	2025018694	IFAPOOIWIJTYRA-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@]2(CNC3CC3)CC2(C)C)CCCCC1	2027306096	HSKHESXTPKMKCT-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)c1ccccc1C	2027313807	JKGXCFZYCYTFJW-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCN[C@@H](c1cc(C)cc(C)c1)[C@H](CC)C(C)C	2028260684	FEBNNNUWNIBDPB-SJORKVTESA-N	247.426	4.636	0	10	BJAE	
N[C@]1(CCCC2CCC2)CC[C@@H]2CCCC[C@H]2C1	2028487265	SYTKBCMQURKTMB-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@H](O)c1ccccc1C1CCC1	2029079001	SJOFMSJUGQBIPT-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)C1(C)CC(C)C1	2029107168	XLEOFLAHEYIMGQ-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC[C@H]2CC23CCC3)CC1	2032075901	LORQBSPBKVZCOC-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNc1cccc2ccccc12	2032513287	GRPWIWMSGVWPCY-DZGCQCFKSA-N	239.362	4.688	0	10	BJAE	
CC(C)[C@H]1[C@@H](NCCC2=CCCCC2)CC[C@H]1C	2035409285	LTVALFUMRZQLOP-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@H]1CCC[C@H](C)C1	2035587034	BGSUFMWVXAGJIS-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(C[C@H]2C=CCC2)CCCC[C@H]1C	2035590574	KLQXDEGJDZONHU-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@H]1CC[C@H](CC)C1	2035591571	LWKYWPGSAPTTMP-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)c1cccc(C2CC2)c1	2036358527	PYZPYCQCMRYOBD-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)c1cccc(C(C)C)c1	2036387690	CMMYVISVUOKBIM-RHSMWYFYSA-N	248.410	4.700	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H]3CCCC[C@@]3(C)C2)cc1	2036666444	QMIPLCBNQTXWOK-UAGQMJEPSA-N	243.394	4.766	0	10	BJAE	
CC1(CCC[C@]2(N)C[C@@H]3CCCC[C@]3(C)C2)CC1	2037175826	KTKWCPRJOMNBHS-UAGQMJEPSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)[C@H]1CCC2(CCCC2)C1	2037597032	ZOEXMVNAFKOPLQ-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC(=C1CCC2(CCCC2)C1)c1cccc(N)c1	2037698196	MEEUFKABROFZFU-UHFFFAOYSA-N	241.378	4.787	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@H]1CCC2(CC2)C1	2038573988	BQXOZLGINHOXCB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2nc3c([nH]2)[C@H](C)CCC3)CC1	2039371531	XHUCVIMVGIJSNF-JHJVBQTASA-N	246.398	4.533	0	10	BJAE	
CCCC[C@@H](C=C1CCC2(CC1)C[C@H]2CN)CC	2040493899	JHJWCWAOPUOHIW-CCWDIYBNSA-N	249.442	4.668	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@@]1(C)CC=CCC1	2042023707	DSWIQRUMVOTXEP-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)NC[C@]1(CCCC2(C)CC2)CC=CCC1	2042092757	ZGZARKKWUTZWAZ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C[C@@H]1CC=CCC1	2042739828	DLRPPFGHYSGTKT-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC(=CC1CC(C(C)(C)C)C1)C1CCC(N)CC1	2042999506	CHIAMPXMFOEAJZ-UHFFFAOYSA-N	249.442	4.523	0	10	BJAE	
CC(C)CCCC(=O)[C@@H](c1ccccc1)C(C)C	2045673789	NGESYOIVEFWPAY-QGZVFWFLSA-N	246.394	4.822	0	10	BJAE	
CCN(C[C@H]1C=CCCCC1)c1ccccc1C	2046570749	LLTPDPCOYDHLIH-INIZCTEOSA-N	243.394	4.568	0	10	BJAE	
NC1(C[C@H]2[C@H]3CCC[C@H]32)CCCCCCCCC1	2048440574	ACFSHJDCMACMTQ-MUJYYYPQSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@H]1[C@H]2CCCC[C@H]21	2048440585	AIGQJVLSUAWCTO-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@@H]2C=CCCCC2)CC1	2049417153	FHLDKAYVGAPVGY-RDHHWEPZSA-N	249.442	4.680	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@H]1CCCC2(CC2)C1	2049935243	GWVZRNGPDRUDCS-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@@H](C)[C@H](C)CC)c1cccc(C)c1	2050462063	AMPHJSOVCXYAHG-BFYDXBDKSA-N	247.426	4.718	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H](N)c2cccc(C)c2)C1	2050465708	UVEUPWAVJWIGJL-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
CCC1(CC)CCC(N)(CC2C[C@H]3C[C@@H]3C2)CC1	2051594896	LFZOFGBYWBMHAI-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)C2(C3CCC3)CC2)C1	2051911417	LYQQJEZBDUXEDC-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@](O)([C@H]2CCC3(CCCC3)C2)CCC1	2055593453	BEFWDYYVYOUTKW-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@@H]2C=CCCC2)[C@@H]1C	2055616821	UJUZULFVSJNADL-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C1(CC)CCC1	2056878699	MWAGEOGRAVQZDX-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CC[C@@]12CCCC(C)(C)C2	2058161021	PZZGIDHTJBAXEK-BFYDXBDKSA-N	249.442	4.610	0	10	BJAE	
CC=CCCC[C@]1(CNC2CC2)CCCC[C@@H]1C	2059251864	CJTDQMHRZHAIJW-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@]12CCCC[C@H]1C2	2059259506	PNBJPXODUQRFKG-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(C)cc(C(F)F)c1C(F)(F)F	2060359217	BZANQTVJRSGYJZ-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)CCC2CCC2)CC1	2061080504	HZXFXHMWXNRCGV-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2CC(=C3CC3)C2)CC1	2061666477	ZYRSBRPSHGSMKT-DYVFJYSZSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC=C[C@](N)(C[C@H]2CCC=CCCC2)C1	2063650608	VHSAQASPHCKXCB-RDJZCZTQSA-N	247.426	4.587	0	10	BJAE	
CCCC1(CN(C)[C@@H]2CCC23CCCC3)CCC1	2069285706	VPIZEIIDFWOFCN-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@@](O)(CC)c2ccccc2)CCC1	2069339951	PIUOGKUKVCVJFW-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@]1(C)C[C@H]1C	2070969125	YLXCFCLPXKCKDU-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(CC2(N)CC3(CCCCC3)C2)CCC1	2071940366	JTYONCVDSIEQTI-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@]2(CCN2[C@H]2C=CCCCCC2)C1	2074800274	UFINZOSXJNBWOR-DOTOQJQBSA-N	247.426	4.530	0	10	BJAE	
Cc1cccc(C)c1CN(C)[C@@H](C)CC(C)(C)C	2074918648	JVCZYSMWFTVCCX-HNNXBMFYSA-N	247.426	4.560	0	10	BJAE	
CC[C@@H]1CC=C([C@@H]2CCCC(C)(C)[C@H]2NC)CC1	2076395336	JQMRSDUCDHTYRC-KBMXLJTQSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(NC[C@@H]2C[C@H]2C2CCCCC2)CC1	2079444884	VYJUNOXZSGCZJJ-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCC1CCC1)[C@@H]1C[C@H]1C1CCCCC1	2079486086	MEXHPZPMEZPNGU-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1	2079492081	NXRVUXJMWWKFNL-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CC1(NC[C@@H]2C[C@H]2C2CCCC2)CCCCCC1	2079638369	CBCFMPMRLMCYIL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)n(C[C@@H]2C[C@@H]2C2CCCCCC2)c1	2079815093	QBKOASUGBAAZEU-DLBZAZTESA-N	245.410	4.711	0	10	BJAE	
Cc1cn(C[C@@H]2C[C@@H]2C2CCCCCC2)cc1C	2079815822	UWARADNWIBKJCC-DLBZAZTESA-N	245.410	4.711	0	10	BJAE	
O=C(CC[C@@H]1C[C@@H]1C1CCCCC1)C1CCCC1	2079859437	BLINMLVUJCCOCH-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@@]1(N)CCC12CCCCC2	2079869100	BSBUOKNFTZADHQ-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)ccc1NCCC[C@@H]1CC1(C)C	2081951712	QPTYQSOROPNHRQ-CYBMUJFWSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)CCCC3(CC3)C2)C1	2082982880	OBTGEQIMIJQDOI-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C(=O)c1cccc(C(C)(C)C)c1)C(C)C	2083549024	GRLQEFRCNJXJKK-HNNXBMFYSA-N	246.394	4.849	0	10	BJAE	
CC[C@@H]1CC[C@H](N(C)[C@@H]2CCC23CCCCC3)C1	2085285812	YEKBSKAJOJWMPA-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
C(=Cc1ccccc1)CC1[C@@H]2CCCC[C@@H]12	2210662980	VZPLZVCXYDXKBZ-HUUCEWRRSA-N	212.336	4.526	0	10	BJAE	
C[C@H](O)C[C@H](C)CCCCCCCC1CC1	2212446939	VBHUZBAXACHZKY-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCC1(COc2cc(C)cc(Cl)c2)CC1	2212534280	YGVBXJXFJDJHPV-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
Cc1cc(O)cc(-c2cc(C)c(Cl)c(C)c2)c1	2212874627	OKPGRYOVBRNQGC-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)c1scc(C)c1C	2213662370	SXAVYLFFXXWKDG-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](O)C1(C)CCCCCC1	2215254832	VHBGRIFXAHZIGQ-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNCC)CC=C(C)CC1	2215839164	VAIDYIIEMDZHHB-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@H](N)CCCCCCCC1CC1	2216876512	DHHKLTDCGOSPPM-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@@H]1C(=O)CCCCCCCC1CC1	2216877884	QYVWSRQONIZGRO-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CCC(C)C)CCC[C@H]1C	2217125811	RQLYCKJXBPFSIF-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
C(CCCC1CC1)CCNC1[C@H]2CCC[C@H]1CC2	2218722432	AQZWJJXJLBZLDE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)C1CC2(C1)CC(C)(C)C2	2220962876	QYCKMJXHKHGTMR-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNC1(C)CC2(CCC2)C1	2220975968	UURKGRNNOWRKRL-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(CC2(C)CC3(CCC3)C2)C1	2221026280	UJQCVUAVSJMHOA-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@@H]1CC[C@H]2CCCC[C@H]2C1)CCCCN	2222947614	BIIRQSXVKAAMGM-BBWFWOEESA-N	249.442	4.668	0	10	BJAE	
C[C@@]1(CC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCN1	2222970059	HSCIONXOMVIIOQ-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)[C@H](CN[C@@H](C)CC)c1ccccc1	2223546297	JYRAXUZAMSNDJG-ZOBUZTSGSA-N	247.426	4.595	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CC(C)C2)CC=C(C)CC1	2223590204	VKTQYLWVXWNOJK-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)c1cccc2ccoc12	2224198130	MVKMJEUJDLPLHU-AWEZNQCLSA-N	246.350	4.539	0	10	BJAE	
CCCCC[C@H](O)CCCCC[C@@H]1C[C@H]1C	2243912338	BOEDVXCSVZJMHY-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
Cc1scc(C(=O)[C@@H]2CCCC3(CC3)C2)c1C	2246370093	HGJWRGNCNUTZJB-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCN[C@H](CCCC[C@H]1C[C@@H]1C)C(C)(C)CC	2247177481	WSPRIXRFCYFTSX-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@H]1CCC12CCC2	2247363490	DIDJDNZIEQADNB-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCc1ccc(F)c(CC2=CCCCC2)c1F	2247506312	UUOIXTBCDPBGDY-UHFFFAOYSA-N	236.305	4.570	0	10	BJAE	
CC=C(CC)[C@@H](NCC)c1csc(C2CC2)c1	2248045288	UNXBFLGHIOCITD-OAHLLOKOSA-N	249.423	4.632	0	10	BJAE	
Cc1cc(N[C@H](C)C2(C)CCC2)cc(C)c1C	2249488484	XFXHNSIIQRHRRS-CQSZACIVSA-N	231.383	4.602	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@@]12CCCC[C@H]1CC2	2251210137	DIYVWZWGXIMVIB-DZKIICNBSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@@]12CCCC[C@H]1CC2	2251210955	HWRKGPMHJQQCGV-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC1CC(C)(C[C@@H]2c3ccccc3NC[C@H]2C)C1	2253748847	BCQHRHJIQLJBJK-SCOKMKKDSA-N	243.394	4.658	0	10	BJAE	
Cc1c(F)cccc1NCC1CC2(CCCC2)C1	2254086202	PLZYWVFUBYCPGG-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CCNC[C@]1(CCCC[C@@H]2C[C@@H]2C)CC=CCC1	2254581021	FQMWWWRUUDHPAI-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)C12CCC(CC1)C2(C)C	2254915167	MEAHEBIOTXLMEZ-JZLYGMAVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1CNc1cccc2ccccc12	2254953410	BMWLVWCBNJQPAL-CQSZACIVSA-N	239.362	4.688	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@H]1CCC1(C)C	2254954744	OAEZDFKIHVTMQH-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CCN[C@H](CC[C@H]1CCCC12CC2)C1(CC)CC1	2255278525	OKWBMEKMCJJBRY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)C=CCCC1(C)C	2257302927	KTQVVSPOEJHFKV-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2C=CCCCC2)c1	2257905149	GEIGPTOYTVMPBV-HNNXBMFYSA-N	243.394	4.895	0	10	BJAE	
C[C@@H]1C[C@@H](Nc2cccc(C3CCCC3)c2)[C@@H]1C	2260663762	SNZZOYIYIMGCJJ-PBFPGSCMSA-N	243.394	4.801	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CCCC[C@H]2CN)C1	2261304865	NAXLULDMSFCLNR-XUJLQICISA-N	249.442	4.524	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@]12CCC[C@@H]1C2	2297868300	YXOKHHMRXGLXET-FMKPAKJESA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCCCCN1[C@H]1C=CCCCCC1	2298882066	KUFUIVJAWHFING-HNNXBMFYSA-N	235.415	4.530	0	10	BJAE	
CC1(C)CC(Nc2cc(C3CC3)ccc2Cl)C1	2300672297	UAFNIIKLRPJCBC-UHFFFAOYSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CC[C@@H](C)[C@H](O)c1ccccc1	2300686511	RISUVHSJPCGDNK-CJNGLKHVSA-N	234.383	4.573	0	10	BJAE	
CCC(CC)CC[C@H]1CCN[C@@H](C(C)(C)C)C1	2300702399	WVRZFLXJMIHITA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCCC[C@@H]1CC	2300704512	RXQDYKLDIYCZIV-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CCN(C)[C@H](C)C1CC(C)(C)C1	2300706835	UZRSIKBLNKPKLR-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](C)[C@](C)(N)CC=C(C)CCCC(C)C	2300925649	FAGWVHGIWJTTMN-HZPDHXFCSA-N	239.447	4.913	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1cccc(C(F)F)c1	2301965968	YTSNVEBGICYIQQ-MNOVXSKESA-N	241.325	4.717	0	10	BJAE	
CCCC1(NCCCC2=CCCCC2)CCC1	2302344723	JJFUNXWBGAOKGX-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
CCN[C@H](CC)[C@H](C)CCCC1=CCCCC1	2302347453	QVHUSBSVBROLPF-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1CCC[C@H](C)N1CCCC1=CCCCC1	2302351304	HIYZNIVBZPLZQK-GJZGRUSLSA-N	235.415	4.530	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C[C@H]1CCC(C)(C)C1	2302747524	FGOAKHPSFMSHRM-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@](C)(O)C2(C)CCCC2)C1	2302898725	IXYWQLCXWHRWAX-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H]1CC[C@H]1C(C)(C)C	2303489108	DGFQEMDDVRAFOY-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CC1=C(C)C[C@@H](Cn2cc(C)c(C)c2C)CC1	2303526307	QECRBMHHPHQSJD-INIZCTEOSA-N	231.383	4.550	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC[C@@H]1CCC(C)=C(C)C1	2303597588	RQFLESVVZZBLJW-VBNZEHGJSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](N)(CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304436551	SQNOCALRVBENSO-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCCCCc1ccc([C@@H](N)CCC)cc1	2307626779	IKKWCFUXZBECSJ-INIZCTEOSA-N	233.399	4.609	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)[C@@]23CCCC[C@@H]2C3)C1	2312670179	LVEIWBWIEALHOG-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312905688	PTECORFHPBQWCF-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)C[C@@]12CCC[C@@H]1CC2	2313349383	WVSOMRPPBKTJSQ-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C12CCC(CC1)C2	2316504604	VNDQRMDCNZIYSJ-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CC[C@@H]2CC[C@@H]21	2317926869	FZVRWRJUPSBTHF-CQDKDKBSSA-N	247.357	4.550	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCCCC1=CCCCC1	2318524893	TVJXXTPMEBFINP-WBVHZDCISA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC=C[C@]1(O)CCCC1=CCCCC1	2318541807	USHMZAAXDPBLII-KRWDZBQOSA-N	248.410	4.764	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@@H]1C=CCCC1	2318596843	DRCODQGMKUNODK-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCC1(C(=O)CC[C@@H]2CC[C@@H]2C2CC2)CCCC1	2319692632	KGBGFQDKVZVOLB-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CC[C@](N)(CC[C@H]1CC[C@@H]1C1CC1)C1CCCC1	2319727771	SQFDMEPUQYAZPA-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
NCC1(CC[C@H]2CC[C@H]2C2CC2)CCCCCC1	2319731389	TWBVWJJOIMWNSA-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCC(C)=C(C)C1)C1CCCC1	2320420484	QFZCSMJPYFHAJR-IAGOWNOFSA-N	249.442	4.824	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@@H]2CCC2(C)C)c1	2320521807	TWKGRBQFSPOPFX-HOTGVXAUSA-N	246.394	4.670	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)c1cccc(C2CCC2)c1	2320650984	AGNAFOQBIRZYOS-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)([C@@H](CC2CC2)C2CC2)CC1	2320765597	MWPLGSBUTKZVRR-COXVUDFISA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2C[C@@H](C)CC[C@H]2C)c1	2321083194	OWFBEXORFQNNBC-HWWQOWPSSA-N	249.373	4.625	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)c1ccccc1	2328280608	BHBSAFLLCTZJCT-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)c1cccc(Cl)c1	50400306	KODAWPBHEOXKLL-RISCZKNCSA-N	239.790	4.569	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H]1CCC[C@H](C)C1	70941489	KTUGJDMHDYCGEJ-BHYGNILZSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CCC(C)CC2)C1	71154692	MBSCDKJLPMBYDO-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H]1CCC[C@@H](CC)C1	71155692	GFFUIFSXEZGXAG-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
COc1cccc(Nc2ccccc2C(C)C)c1	82715532	LGDNQASIDIVQJV-UHFFFAOYSA-N	241.334	4.562	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCCC(C)(C)CC2)o1	86899629	QIHHDASFJFLYRZ-ZIAGYGMSSA-N	249.398	4.598	0	10	BJAE	
CCCC[C@H](NCCC)c1sc(C)cc1C	88047752	NZDMORJSFJOEDF-ZDUSSCGKSA-N	239.428	4.596	0	10	BJAE	
CC(C)c1ccc2oc([C@H](O)C(C)(C)C)cc2c1	88072335	RQZKCMBNHAUUFS-HNNXBMFYSA-N	246.350	4.636	0	10	BJAE	
CCSc1ccccc1N[C@H]1CCCC1(C)C	94307490	NKWUNLLMQYFOCT-AWEZNQCLSA-N	249.423	4.789	0	10	BJAE	
CCc1c(C)nc2ccc(C(C)C)cc2c1Cl	109692809	OFDRVSYJRAUWQA-UHFFFAOYSA-N	247.769	4.882	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1CCC(C)CC1	109736792	OQJGNLBWOBTPGL-KNIAUWFNSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc(NC2CCC(C(C)C)CC2)c1	109745490	FWIUVCQWNXTAMX-UHFFFAOYSA-N	231.383	4.622	0	10	BJAE	
CCCNCC(CCC)(CCC)c1ccccc1	110250666	IOGJNTQRFZQDGG-UHFFFAOYSA-N	247.426	4.524	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@@H](C)C2CCCC2)c1	112392338	ZBOASPMQIYVDOP-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
CCCCCC(=O)c1cc(C)c(C)cc1Cl	122199700	HJAQNZRLKKHHAP-UHFFFAOYSA-N	238.758	4.720	0	10	BJAE	
CCCCC[C@H](C[C@@H](C)CC(C)(C)C)NC	125422653	FVQOXLBLMLIZMQ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
C1CCCC2(CCC1)CCNC[C@H]2C1CCCC1	128560920	TYPHGWUWQONCMC-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CCCC(CCC)[C@@H](CCCC(C)C)NC	133467621	FBKDEBDPXYHAPJ-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CC(C)CC[C@@H]1CCCCC[C@@H]1CNC(C)C	155817937	RHLJPZSIIFKFGN-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H]1CCCCC[C@@H]1CNC(C)(C)C	155859757	UWVIUTPGXYMMBH-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCc1cccc([C@@H](CC(C)(C)C)NCC)c1	157897744	ZMZQIDUSNCUZMS-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCCc1cccc([C@H](O)CC2=CCCCC2)c1	161063182	LTIOTBQCVWEELN-QGZVFWFLSA-N	244.378	4.563	0	10	BJAE	
CCN[C@@H]1C[C@@H]2CCCCCCCCCC[C@@H]21	162385298	WIIMFZBZHFZTGR-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@](C)(CNC(C)(C)C)C1CC1	164234580	HEMBXWJYPNOQMC-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@]1(N)C[C@H](C)CC[C@@H]1C(C)C	165668274	SPDKRQIZRCJYGU-OAGGEKHMSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)c1ccc(CNc2ccccc2)s1	165842715	LZKHOBGFCJALOW-UHFFFAOYSA-N	245.391	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C1(CC)CCCC1	166885035	FJICNMXBKVDBMY-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C1CCCCC1	167035647	RQOGWXZLLOQNHA-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CCC)n1ccc2c1CCCC2=O	225870807	LPMWPFNOVCLBLV-CYBMUJFWSA-N	247.382	4.539	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H]1CCCC1(C)C	226557533	YFZJALNVRIVJLM-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
CCN[C@@H](c1ccc([C@@H](C)CC)cc1)[C@H]1C[C@@H]1C	227088946	YAICRLFAOSIYCQ-PYTWLRIVSA-N	245.410	4.507	0	10	BJAE	
CCN[C@H](C)c1cc2cc([C@H](C)CC)ccc2o1	232359513	TWEGVFYDBJKYKR-VXGBXAGGSA-N	245.366	4.617	0	10	BJAE	
c1ccc2c(CCC3CCCCC3)c[nH]c2c1	232451495	JXFCEYDYQIPEMC-UHFFFAOYSA-N	227.351	4.681	0	10	BJAE	
CCCC[C@@]1(CC)CNc2c(C)cc(C)cc21	233000023	YGOYYRDDPYJVLA-INIZCTEOSA-N	231.383	4.567	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cc(C)c(O)cc1C	234000934	FLAJPNORFGMXET-SMDDNHRTSA-N	249.398	4.636	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2ccc(Cl)cc2)C1	235404366	PWPFCTDQWDIMSL-WCQYABFASA-N	249.785	4.744	0	10	BJAE	
Cc1ccc([C@@H](O)C2=CCCCCCC2)c(C)c1	235903880	QTEDSPUCKBAPNK-KRWDZBQOSA-N	244.378	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](CC)CC[C@H]1N	251298721	HGVJLRNLOSPHNX-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O	251451230	XDHNYMZGRJSEFU-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1[C@@H](Nc2ccc(Cl)cc2)CCC[C@H]1C	252107132	HFAFOFWOVPRZFS-SUNKGSAMSA-N	237.774	4.577	0	10	BJAE	
CC(=O)Cc1ccccc1[C@@H]1CCCC(C)(C)C1	258343541	NEMNTWKADBXGQN-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)c1cc(C)ccc1C	302319352	GUBYCBSAXNCSLZ-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@H](C)C(C)(C)C	304340646	VRLZUWNIQUUSKB-NSHDSACASA-N	239.790	4.743	0	10	BJAE	
Clc1cc(Cl)c2c(Cl)csc2c1	307109866	NJMUDTZDMRLHRD-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCC1CCCC1	308058348	UDRNDABJFITUMJ-HNNXBMFYSA-N	238.415	4.988	0	10	BJAE	
Cc1ccc(Cl)c(O[C@@H]2CCC[C@@H](C)C2)c1	309172880	AYTYAMFAPYGTGR-ZYHUDNBSSA-N	238.758	4.606	0	10	BJAE	
CCC[C@@H](Nc1c(C)cc(C)cc1C)C1CC1	310148530	HHWNEJQYBCTASC-OAHLLOKOSA-N	231.383	4.602	0	10	BJAE	
Cc1ccc(Cl)c([C@@H](O)CCC(C)(C)C)c1	313416557	MASIFADHCLYUAA-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)CC(C)C)C1CCCC1	313440883	ZRRGBGAMCCNCAA-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(CC=C(C)C)(CNC)CC1	317075183	UNBOCRQKPWWCIU-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCNCC1(C(CC)CC)CCCCCCC1	318551563	HQWUDZCSSZAVHV-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](N[C@H](CC)[C@H]1C[C@@H]1C)c1ccccc1	322162710	KHLYIIBJJSETEE-LLLHUVSDSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H](Nc1c(C)cc(C)cc1C)C1CCC1	322576394	UAWWYUVUQXIKLS-OAHLLOKOSA-N	231.383	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(N)CCC[C@H](C3CC3)C2)C1	380954229	QUECXFUWTTZTSW-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)c1csc(C)c1	381390006	NKBWWHGXJBJGOU-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CCNCC(CC)(CC)C[C@H]1CCC[C@H](C)C1	383875276	IKLZASNXFNPPEL-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCc1ccccc1[C@@H](C[C@H](C)CC)NCC	384624923	JDIUHJDRUJEIBD-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1nccc2ccsc12	384695504	XVKBSBWIZRMNLI-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
C[C@@H](CC(=O)CC1=CCCCC1)c1ccccc1	385087945	FWAVDQKZBVDPOV-AWEZNQCLSA-N	242.362	4.640	0	10	BJAE	
C1CCCC(=C2CCC[C@@H]2[C@@H]2CCCCN2)CC1	395087601	SMUWAALQQDTQHU-IRXDYDNUSA-N	247.426	4.579	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CCC2=CCCCC2)C1	395329413	QYZBYZFQBBZLFT-RDJZCZTQSA-N	249.442	4.812	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC2=CCCC2)cc1	401116011	PYHZNCAQBHLKFJ-CYBMUJFWSA-N	230.351	4.689	0	10	BJAE	
O=C(CCC1CCCC1)C[C@@H]1C[C@H]2C=C[C@H]1CC2	402219165	RPDAXDNTLMUBRG-JYJNAYRXSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CC2	402362044	XVMZLJDNYSJHFS-QUSNUVHPSA-N	249.442	4.523	0	10	BJAE	
CC(C)C(Nc1ccc2c(c1)CCCC2)C(C)C	404664609	YFROFQLEVBFJJZ-UHFFFAOYSA-N	245.410	4.658	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CCC(C)(C)C1CC1	406081792	UIQJCBKGMYKLTK-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2CCCC1CCC1	688374323	MTSCPVMDCXQHDC-AWEZNQCLSA-N	229.367	4.556	0	10	BJAE	
CC(C)NC[C@@H](C)[C@H](C)c1cccc(C(C)C)c1	688971918	VMQFMAOFFJPMIU-CABCVRRESA-N	247.426	4.548	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCCC[C@@H]2C)cc1C	691139596	OZXLKNIDWGHZGP-SUMWQHHRSA-N	245.410	4.938	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@H]1CC2CCC1CC2	691791080	UQTMVEQFGHFYLK-BHUNQDJPSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(C(=O)C2CC3(CCC3)C2)c1	691887403	WJTJITOJCBDULH-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1CC=CC1)NCCC	692059097	LEGXSTBSICVFAS-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@@H](C)C(C)(C)CC	695152186	JCAHYVUCXZUUHK-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CSc1ccc(NC2CCC3(CC2)CC3)cc1	696005873	YYHUEQYNZYBINY-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCC=C(C)C)NCC	697758187	GPWACFPSPWRAIL-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CC(C)=CCCOc1cc(C(C)C)ccc1C	697783461	GTLQJQUXMSOPHB-UHFFFAOYSA-N	232.367	4.854	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C2CC(C)(C)C2)cc1	701504392	SSCVCGQHDGLRHC-LBPRGKRZSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@H]1CCCC12CC2	706251623	YFFSLARYNDXHNY-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C/C(=C/[C@H](C)CC(C)(C)C)C[C@H]1CCCCN1	709091242	XZAMQQFHORKKGI-ZKHYDWRDSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)CC(=O)C[C@H](CC)C(C)(C)C	711175728	GJZXSOQHWJHZFT-OLZOCXBDSA-N	226.404	4.844	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1cscc1Cl	711522454	IUZZJDXRELSDLL-NSHDSACASA-N	245.819	4.618	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1CCC[C@H](C2CC2)C1	712534702	SOXCDAKSCBBVFW-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCc1cc(C(C)(C)C)ccc1O	718580392	YFONLYFKWWGBSB-UHFFFAOYSA-N	246.394	4.979	0	10	BJAE	
CC(C)=C(C)CCc1cccc2cccnc12	718650157	ZFGNYKRFPIQZBX-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CC[C@H](CC1CCCCC1)Nc1cccc(F)c1	720943266	IQSKKOHYGZHGTH-OAHLLOKOSA-N	249.373	4.987	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)C[C@H](C)CC	723562892	MUPBNOINHKMLNB-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H](C2CCCCC2)C2CC2)C1	723982190	NKVYPGNVJPFOKI-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
c1csc(SCCCC2CCCC2)c1	1656225068	ZNTNHPNPODFDMC-UHFFFAOYSA-N	226.410	4.811	0	10	BJAE	
CCC1(CC)CCC(N[C@@H](C)C2CCC2)CC1	1662145229	FWUPYJDBICOOLT-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)CCCC(C)C	1900595369	XTLMUAIFDGZXHK-HNNXBMFYSA-N	225.420	4.667	0	10	BJAE	
CCC(C)=CC[C@@H](O)C[C@@H](C)CC(C)(C)C	1900885636	QSXXYGMDCCBPHX-ZIAGYGMSSA-N	226.404	4.556	0	10	BJAE	
CC(C)C(C)(C)c1nc([C@H]2CC2(C)C)cs1	1901907497	GMKYUCQTXCURMP-SNVBAGLBSA-N	237.412	4.590	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCCC1(C)C	1905390796	OYSACMMBQRRWOY-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1CCCCCC1	1905397428	FOJINCXUBMPORV-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CNCC1(CC2CCCC2)CC2(CCCCC2)C1	1912557534	UPFCQHGQPVOEBV-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)(CC[C@@H](N)C1CC2(CCCC2)C1)C1CC1	1912607426	SCEODNJYOUATLU-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](N[C@H]2CCC3(CCCCC3)C2)C1	1915872476	TWEVRESGDNOHHN-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
Clc1ccccc1N[C@H]1CCC2(CCCC2)C1	1916424020	PCDMOJKRGIUVNP-LBPRGKRZSA-N	249.785	4.865	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CC[C@H]2C[C@H]2C1	1917330676	VTPPIMXEIWIYGJ-MELADBBJSA-N	243.394	4.585	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCC[C@@H]1CC1(C)C	1919969323	IHLOHQXODSQCPZ-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](N)(c1ccccc1)C(C)C	1920496929	OFYDASHOFZBURV-NVXWUHKLSA-N	247.426	4.569	0	10	BJAE	
CCc1ccc2[nH]c3c(c2c1)[C@H]1CCC[C@@H](C3)C1	1923459391	OVUJPJPZHPGYKJ-OLZOCXBDSA-N	239.362	4.560	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@@H]2C=CCCCC2)C1	1925919819	HOSDITDMPMZPJS-BRWVUGGUSA-N	249.442	4.668	0	10	BJAE	
CCN[C@@H](CC(CC)CC)CC1(C)CCCC1	1926383409	KYOORZSSHCQMNB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC(=O)CCC[C@H]1CC1(C)C	1935934082	BHVCBGYOZBBDSU-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)c1cscc1C	1938844433	YYTIXNKADGFVKR-TZMCWYRMSA-N	239.428	4.533	0	10	BJAE	
CCNC[C@](C)(CC1(C)CCCCC1)C(C)C	1940405393	IABOTZSWALQWIR-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC([C@H](C)c2cccc(N)c2)CC1	1940977637	VDZPIMNAXWUKAB-HSBZDZAISA-N	231.383	4.589	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](N)CCCC1CCC1	1941263397	OGADGTKKHLXFNI-JKSUJKDBSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(O)CCC1CCC1	1941472492	AMXHAUQEXXVNFO-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)[C@H](C)CCC(C)C	1942663740	VAKBGHNJGWGJDY-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC1(N)CCC2(CCC2)CC1)C(C)(C)C	1944601395	DJZFMLKTHKCGOY-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)C(C)(C)C1CCCC1	1944621983	ITUDYDXETQMMGT-DZGCQCFKSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CC(C)C)c1cccc2sccc12	1945971301	YRSHQMMDMBANMS-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1CCCCC1(F)F	1946988083	FZYOEEDEWANRDS-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC1(c2ccc(C[C@@H]3C=CCCC3)cc2)CC1	1947566276	WDNLUCNQIODTGN-CQSZACIVSA-N	226.363	4.637	0	10	BJAE	
C[C@H]1CCC[C@@H]1NC1CCCCCCCCC1	1947879075	AVXJFAQEZWQSHC-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948585587	JMOSHOLLZUEWGQ-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(CC(=O)CC2CCCC2)CC1	1949862992	XOGRCRYOUQKLRC-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC)CCCC(C)(C)CC1	1950912953	CJBXHWLDBDEAGC-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H](N)[C@H]1CCCC(C)(C)CC1	1950922430	NSCUKHZAUWMSEV-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)CCC(=O)CCCC(C)C	1959880875	YGNMUFJQRIWLDH-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CC[C@H](C(C)C)C1	1963228996	OEFIEZWWTKUXQP-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N(C)C[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	1964110344	TYVBYSZQRHUUHL-ZSHCYNCHSA-N	245.410	4.504	0	10	BJAE	
CC1(C)CC[C@@H](NC[C@H]2CCCCC23CCC3)C1	1967864767	IZSAKJJGYNPYEG-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCN[C@H]2CCCC3(CCC3)C2)CC1	1968849048	NGJGCHDJRXHMKJ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNC2CC3(CCCCC3)C2)C1	1969004583	CPMVXLTXAXHDSG-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCN2CCCCC23CCCC3)CC1	1969767611	MPMUNGFUHIXLCY-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H]2CCC3(CCC3)C2)C1	1971461512	LMCZNJKMXBMQIV-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)n1[C@@H](C)C1(C)CCCCC1	1975554935	NIUSQPHTAUYWAC-AWEZNQCLSA-N	219.372	4.636	0	10	BJAE	
CCCC[C@H](NCC)c1cc(C(F)F)cs1	1977077720	CEILEEPSBWLZPF-JTQLQIEISA-N	247.354	4.527	0	10	BJAE	
Cc1csc(C(=O)C2(C)CCCCCC2)c1	1978451785	PHWZLZUCPGFRET-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
C/C=C/CCCC(=O)c1cc(Cl)ccc1C	1984590145	YIKBLKMJKJRCFZ-ONEGZZNKSA-N	236.742	4.578	0	10	BJAE	
CC[C@H](C(=O)CC(C(C)C)C(C)C)C(C)C	1988294953	HXMBSRWDZAKFLI-ZDUSSCGKSA-N	226.404	4.556	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1CC[C@H](C)C1	1990093176	IHGGWHQRXBACPO-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@@H]1CCC[C@@H](CC)CC1	1997116437	KRQISUXAOFPENI-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)[C@@H](O)[C@H]1CCCC(C)(C)C1	2000022638	BMPBYZMMOAEFCA-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@H]1CCCC(C)(C)C1	2000142885	IQTMTJXNEMMZCR-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC(=O)[C@H]1CCC2(CCCC2)C1	2000197478	ZQOVSKQXXHJJFP-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](C)(CC=C(C)C)CNCC(C)C	2000516375	WMYFHHUQACMOQW-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C[C@@H]2CCC[C@@H]2C1	2000832710	WSTUYZMPHBARCT-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CN(CC)C1C[C@@H](C)C[C@H](C)C1	2000899701	DXPUAEGVUIKYPY-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C[C@H]1CCC12CCC2	2001849884	BHBDYAWTQIXQDT-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@](C)(N)C1CCCCC1	2002920564	GCENLPQHOGRQQZ-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CN(C)[C@H](C)C1CCC(C)CC1	2002962596	WNYMIYPSLFLDEQ-NPCAHTBFSA-N	239.447	4.569	0	10	BJAE	
CCCCCC1CCC([C@@H](N)C=C(C)C)CC1	2003067121	NKRFVILYSQVWAN-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H]1CCCCCCCC1=O	2003070129	IKZXJCKDGOWOBW-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H]1CCCCCC[C@@H]1CCC(C)(C)C	2003101610	UZBOZPBSPGWCMF-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C[C@H](C)CCO)C1CCC(C)(C)CC1	2008715997	LEHLKWHRRHRSBY-KGLIPLIRSA-N	240.431	4.638	0	10	BJAE	
CCCC[C@]1(C[C@H]2CCC[C@@H](C)C2)CCCN1	2009773182	YCGZPAVSBDBXAI-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C12CCCC1CCC2	2012119744	IHSYROVVPMNORI-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H](C)C1CC2(CC2)C1	2012411703	LZCHDVPAFKIDAL-NSHDSACASA-N	249.785	4.639	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C[C@H]1CC[C@H](C)C1	2013307075	RWWPZWZPRFZXAY-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](CCCCC(C(C)C)C(C)C)NC	2015345992	YYMOJCFDTRWIJB-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCCC1(C(=O)CCC(C(C)C)C(C)C)CC1	2015389048	SGIKKEBTBXEFAN-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCC1(C)CCC(O)(CC2(CC)CCC2)CC1	2015587973	BPUMIEBDFOKHSW-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC1(C[C@]2(O)CCC[C@@H](C(C)C)C2)CCC1	2015596531	RSCVBQXMWUTPGA-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CC2(O)CCC(C)(C)CC2)CCC1	2015640146	OYUFNRURAWHXEU-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1(CC2CC2)CCC1	2015752147	DKSPSBYPIGPFDI-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1(CC2CCC2)CC1	2015791705	DXYZNSWUPJYIOI-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC1([C@H](O)C[C@H]2CC[C@H](C)CC2)CCCCC1	2017651232	RAEKKBPAFYQHOC-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@]2(CC)CCCN2)CC1	2017721674	BKGFVQPOPYSPHW-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](N)CCC1CCC(CCC)CC1	2017732267	ZRGFYJKEHCCCJB-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1CCCC1(C)C	2018129825	LHSDLJBPEVKSTH-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@H](N)C(C)(C)C2CCCC2)CC1	2018996498	LLJBXKGBDPJULH-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(CN(C)CCCC(C)(C)C)CC1	2019326456	VPVRFPSDNNOSPB-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N(C)C1CC(CC(C)(C)C)C1	2019385738	PDVHVWLGKBBTFR-LMRVLLHPSA-N	239.447	4.568	0	10	BJAE	
CC1(C)CCC[C@H](CCC(C)(C)C2CC2)C1=O	2020392789	PUJYQHSGPSXJHN-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@H]1C[C@H]1C(C)(C)C	2022559448	FRINRCYQBCTCKB-JHJVBQTASA-N	238.415	4.700	0	10	BJAE	
CCCC1CCC(C[C@@H](O)CC=C(C)C)CC1	2023318469	GYCOXSFYDNGDSL-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](CC=C(C)C)c1cccc2sccc12	2023335787	JYLISZLCTRFHHH-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
CCC(C)(C)CCN(C)CCCCC(C)(F)F	2023440719	FUXWGQCDOJGZLW-UHFFFAOYSA-N	249.389	4.570	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CCCF)NCCC	2026083346	ZVITWGPQZBSTIJ-CABCVRRESA-N	245.426	4.711	0	10	BJAE	
Cc1ccc(C[C@@H]2C=CCC2)cc1C(F)(F)F	2026349600	NKTIZOGWIUAMIS-LLVKDONJSA-N	240.268	4.523	0	10	BJAE	
CCCc1ccccc1[C@@H](N)[C@@H](CCC)C(C)C	2028255557	RATQIOUEWHEBEX-RDJZCZTQSA-N	247.426	4.711	0	10	BJAE	
CC(C)CC[C@](C)(N)c1cccc(C2CCC2)c1	2028558194	UUUXQKGQFGRJFV-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)c1ccccc1C1CC1	2028576670	QWKOZAWFNPWYQK-GXTWGEPZSA-N	242.362	4.573	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@H]1C[C@H]2CCCC[C@@H]21	2028785507	DKSPGFDWVVLHKJ-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@H]2CC3CCC2CC3)C1	2029108148	AWNOFNRAKKZCEJ-JXQTWKCFSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC)c1ccc(C2CCCC2)cc1	2031749784	LVWYUABXMSJTJG-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CCCN[C@H](CC)c1ccc(C2CCCC2)cc1	2031749785	LVWYUABXMSJTJG-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CN[C@@H](c1ccccc1C1CC1)C(C)(C)C(C)C	2032338001	BNYAILZASLAGAM-INIZCTEOSA-N	245.410	4.507	0	10	BJAE	
CCNCC(=C[C@@H]1CCC[C@H]1C)C1CCCCC1	2032672976	RMRJVCLNYDGXRG-ZBFHGGJFSA-N	249.442	4.539	0	10	BJAE	
CC(C)NC[C@@H]1CCCCC[C@@H]1C[C@H]1C=CCC1	2035592798	PXEFKHVGKQZKDZ-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC([C@@H](N)c2ccc(C(C)C)cc2)C1	2036486756	IJYVIHFLKJCWIL-CGZBRXJRSA-N	245.410	4.636	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@H]1CCCC[C@H]1C	2037167863	AZMZJDHGFDVIOF-HDEZJCGLSA-N	249.442	4.667	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C[C@H]1C=CCCC1	2037304784	INKRUAGGAVVMSH-YQQAZPJKSA-N	247.426	4.587	0	10	BJAE	
CC1(C)CC[C@H](N2CCC[C@H]2C2CCCCC2)C1	2037671200	BVJZABBJUUQNMV-HOTGVXAUSA-N	249.442	4.610	0	10	BJAE	
O[C@H](CC12CCC(CC1)C2)C1=CCCCCCC1	2039379642	BIVHPTQINMUBET-ARWYELJZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)c2ccc(F)cc2)CC1	2039385078	NJOXSXZLPYVFBF-LBPRGKRZSA-N	248.341	4.615	0	10	BJAE	
CC[C@@H](N[C@@H]1CC=CCC1)C1CCC(C)(C)CC1	2040684647	UUBJAIVONVLFQK-HZPDHXFCSA-N	249.442	4.680	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCC2(C)CC=CC2)CC1	2042076315	MUTHSBNZTJIFCB-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC1(C2CC2)CCCC1	2042946268	CLPYNCZUNAAMKT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H](C)C1CC2(CCC2)C1	2043556369	GGRLHBBOJYCXQK-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CC(C)C[C@]1(C[C@@H]2CCC=CCCC2)CCCN1	2045322973	IVVYRENIADOJAZ-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@H](CNC1CC1)[C@@H](C)C[C@H]1CCC=CCCC1	2045328488	FPFAGAFJIHWAAE-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C(=O)CC2[C@H]3CCCCC[C@H]23)CCC1	2048470769	WFFVGNKPKPQCEU-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C2(N)CCC3(CCCCC3)CC2)C1	2048640773	RFMMJARFBBYZRU-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1CCC([C@@H](C)Nc2ccccc2)CC1	2049418270	PCWDUNGKYIWJAS-QQFBHYJXSA-N	245.410	4.949	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2CCC3(CC3)C2)CC1	2049848635	KNEYJSWULOTYBT-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
c1cc2c(c(OCCCCCC3CC3)c1)CCC2	2050413319	JJCKGGYRAJJPRV-UHFFFAOYSA-N	244.378	4.525	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Oc1cccc2c1CCC2	2050414043	NNRRZVMHLYCNGJ-CJNGLKHVSA-N	244.378	4.523	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCCC[C@@H]1CC1(C)C	2050456562	RSXINRKBJXEWQD-ZBFHGGJFSA-N	245.410	4.601	0	10	BJAE	
CN[C@H](CCCC1CCCC1)c1ccccc1C	2050461520	WKFDLMADGGVCFH-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@H](C[C@H]1CCCC[C@H]1C)c1ccco1	2050517361	ABZBLWWWMQHRET-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CC1([C@@H](N)[C@@H]2C[C@H]3CC[C@H]2C3)CCCCCCC1	2052474888	FOPSMHDWKWOHDW-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCNCC1(CCC2(C)CC2)CCC2(CC2)CC1	2059178762	VMMNZTIOZBYHNV-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1cccc(C(C)(C)C)c1	2059220521	BGGFJXYPSMVLKL-SQRWCISFSA-N	246.394	4.764	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@]12CCCC[C@@H]1CCC2	2059254653	AOJRXSZEDNGYSU-ZKISJWJVSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H]2CCCC[C@@H]2[C@H]1NCC	2059254856	CCQHVMBWDHKODW-ZTNBSJNOSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(C(F)F)c(SC)c1Cl	2060054563	AALOLLMHFRYZAG-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CN[C@H](C1=CC[C@@H](C)CC1)[C@H](C)C1CCCCC1	2060924189	CKJYLUVHRPAHRD-CPUCHLNUSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1=CC[C@@H](C)CC1)C(C)(C)C1CCCC1	2060925099	IOHQMHZHQZJYSA-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC([C@@H](N)C2=CC[C@@H](C(C)(C)C)CC2)C1	2061091447	JENAGVOGRQZLCU-CABCVRRESA-N	249.442	4.523	0	10	BJAE	
CN[C@H](CCC1CC1)C1=CC[C@H](C(C)(C)C)CC1	2061095776	PKEPBVJIQDLASN-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCC23CCCCC3)CC1	2061115428	HMIVKHSLPCKMJQ-RHSMWYFYSA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C1=CC[C@@H](C(C)C)CC1	2061120447	XNUIPRWNZZHILO-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(NCC23CCCC2CCC3)CC1	2063902689	HWMMOYQPBVPDSH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CC23CCC(CC2)C3)C1	2065274909	NPNHFMQHXFBEAR-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
CC1(C)[C@@H](CN)C12CCC1(CCCCCC1)CC2	2065896759	GVRZVNBLHZWGES-CQSZACIVSA-N	249.442	4.502	0	10	BJAE	
Cc1cccc([C@@H](N)CCC(C(C)C)C(C)C)c1	2068995750	RBPWUPQCPPCIRD-KRWDZBQOSA-N	247.426	4.703	0	10	BJAE	
CCC1(CN(C)[C@H]2CCC3(CCCC3)C2)CCC1	2069326407	CXBCJCOVNCYQAB-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C1(CC(C)C)CC1	2069521297	JTILITVYIULODE-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)c1ccccc1C1CC1	2070414976	YRMHHERFJLRART-QGZVFWFLSA-N	244.378	4.518	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1C[C@H]2CC[C@H](C1)C2	2070415128	ZWPZQINLQOWMKL-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(CNC2(CC3CC3)CCC2)CCC1	2071947956	DBQONPJNMKFLEN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1cccc(F)c1C	2072426793	UZJIXOOWISGXBD-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H]1CCNC2(CCCCC2)C1	2074141217	IOUUBEBXPRUTBK-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@H]1CCCC2(CC2)C1	2074894692	DHEKAHHRYPZCBY-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CC(C)CNCC1([C@H]2C=CCCCC2)CCCC1	2075374201	VVFGOVWGJPLTBG-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
O[C@]1(CCC2=CCCCC2)CC[C@H]2CCCC[C@@H]21	2075720465	IMCRHFVKIUCQKP-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
CCCN(Cc1cccc(C)c1)C1CCCCC1	2076586313	OLPCGFAEMVOXAO-UHFFFAOYSA-N	245.410	4.540	0	10	BJAE	
N[C@@H](CC1CCCC1)[C@H]1C[C@H]1C1CCCCCC1	2079837780	CDWJISALEPKGFX-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H]2CCC(C)(C)C2)c1	2082957186	DYRKKZSRLKDETI-CQSZACIVSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2CC(C3CCC3)C2)C1	2083013602	GQIRDDWMGQKXJU-ZALBZXLWSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@H](CC)Oc1ccccc1C(C)=O	2086295723	OUCQFKYKFKUITA-CQSZACIVSA-N	248.366	4.627	0	10	BJAE	
CC[C@@H](C)NCC(CC)(CC)CCC(C)C	2212591574	YYJKZPFRDIOBHL-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CCC1(C)CC(C)(C)C1)NCC	2215393989	PCHGXEPVTUIAOU-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@H]1CC1(C)C)C(C)(C)CCC	2216283444	RSFKDWPNBUFMPC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@](C)(O)CCCCCCCC1CC1	2216896487	IQTSROSASRRBTK-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@@H]1CCCC[C@H]1C	2217150550	ZCCNZIYZFWOISR-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218376100	YLQARZTXPASVPN-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCNC[C@@]12CCCC[C@H]1C2	2218733603	YFLZYPYHEUKYJD-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC2(CC(C(=O)CCCCC3CC3)C2)C1	2220016935	ROTDDLGSPKBKNU-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@H](CN[C@H]2C[C@H](C)CC(C)(C)C2)CC1	2221665883	GNJTYKVJDFKHHA-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
C(CCCN[C@@H]1CC[C@@H]2CC[C@@H]21)CCCC1CC1	2223157918	IFWGCHCQVCFOGN-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@@H]1CC[C@@H](C)C1)N2	2224121249	POUXTUUOMKZNNK-XNRPHZJLSA-N	243.394	4.548	0	10	BJAE	
Cc1ccc(NC2CCC=CCC2)c(Cl)c1	2244134105	GJGNDTQHDGRBJO-UHFFFAOYSA-N	235.758	4.559	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H](CC)CCC	2244777793	MRWRYJKJMHFCTF-SOUVJXGZSA-N	227.436	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@](C)(O)C2CCCC2)C1	2246686048	BVICRTJPMBQDFC-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(NCCCC[C@@H]2C[C@H]2C)cc1C	2247114001	FZYMLFRXCJJTKV-HUUCEWRRSA-N	231.383	4.542	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)CCCC[C@H]1C[C@H]1C	2247127074	FTBVPBBTDJZUPH-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CCCC[C@@H]1C[C@H]1C	2247151246	TYANBWLDEQXFGW-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@H]1C[C@H](O)CCC1CCCCC1	2247305867	FBMGDGFTAAGBIT-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccc(NCC2=CCCCC2)cc1	2247490026	LNWYJQGXYNVTOI-UHFFFAOYSA-N	229.367	4.551	0	10	BJAE	
CCC(CC)N(CC)CCCCC[C@H]1C[C@@H]1C	2248840726	LVAMHPQRVCOSCZ-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCC1(NCCCCC[C@H]2C[C@H]2C)CCCC1	2248854550	AOYPYSFXGOFFBA-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC2(C)C)cc(C)c1C	2249491416	QZDYIRCKAYQUFR-OAHLLOKOSA-N	231.383	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(N)C[C@H](C)[C@@H]1C	2250513008	CPXPVRPHIDLCJW-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CN)CCC[C@H](C)CCCC(C)C	2250531363	XHKGMJDCGCNPRP-HZPDHXFCSA-N	241.463	4.994	0	10	BJAE	
Cc1ccc(NC[C@]23CCC[C@H]2CC3)cc1Cl	2251165079	AWQUVEDTLBQAEH-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CCCC[C@H](N)CCC1CC(CC(C)(C)C)C1	2251504267	YGAAFHQLWMDBBC-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
Nc1cccc(C=CC[C@@H]2CCCCC23CC3)c1	2253801458	BVTDRKRKWGHIQS-HNNXBMFYSA-N	241.378	4.643	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@@H](N)CC[C@@H]1CCCCC12CC2	2253821026	ZKYCBRMXOVNVOY-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCC[C@H]1CCCCC12CC2)C1CCCC1	2253883427	JKSSLRRZKQEMAD-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC2CC3(CCCC3)C2)C1	2254115603	YLCWCFJFEOPCCH-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CCCC[C@H]1C1CC1	2254599260	UKJOVWVNKVSHNO-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N(C)CC2=CCCCC2)C1	2255060190	YBEYKKMFSOLZDS-INMHGKMJSA-N	249.442	4.633	0	10	BJAE	
CC(=CCCCC[C@@H]1C[C@H]1C)[C@H]1CC[C@@H](N)CC1	2257250918	BIZWORWXMHWRIX-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(NCCCCC[C@H]2C[C@H]2C)cc1C	2257297190	BAJCCGGONFGBPY-CVEARBPZSA-N	245.410	4.932	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1(N)[C@H]2CCC[C@H]1CC2	2257316274	QGYKFIYUXVJCAP-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(NCC[C@]23CCC[C@H]2C3)cc(C)c1C	2258244569	JLHOFCFYOKDXHM-RDJZCZTQSA-N	243.394	4.604	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc2c(c1)CCCC2	2259462807	BBCQZZSXZMMLOP-CQSZACIVSA-N	245.410	4.804	0	10	BJAE	
C(CCCC1CC1)CCNC[C@@]12CCC[C@@H]1CC2	2260532925	DOUCRLHSQCHWFI-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
O=C(CC[C@@]12CCCC[C@H]1CC2)c1ccccc1	2260582434	JSBVPQCAWNLDBV-RDJZCZTQSA-N	242.362	4.620	0	10	BJAE	
Cc1ccc(NC[C@]23CCCC[C@H]2CC3)c(C)c1	2260613313	DQWVTYXPKMSMRX-DOTOQJQBSA-N	243.394	4.686	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@]23CCC[C@H]2CC3)CC1	2260686032	QPJUIEQJVRDDMN-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@@H](C)CC1CCC1	2298857198	FYELCOXDIAHKPD-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](Nc1cc(C(C)C)ccc1C)C(F)F	2300460375	XQCFAEWSVHXNHQ-LBPRGKRZSA-N	241.325	4.574	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC[C@]12CCC[C@H]1C2	2300473131	WFRMQIFMFCEZBM-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@]1(CNC)CCCC[C@H]1C	2300685905	KCULGIPCSUBFHY-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@H]1CCCCC[C@@H]1CNC	2300699439	GDJKJDFYRIUANZ-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC(=CC[C@H](O)[C@@]1(C)C[C@@H]1C)CCCC(C)C	2300863498	PQYFFJIVWBXADS-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CC=CC[C@H](NCCC)C1CCC(CC)CC1	2300871066	BJLCRKGZDVLWSK-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@@H](CC(C)C)C(C)C	2300906532	JBYMYXKSAMGFBT-JKSUJKDBSA-N	239.447	4.639	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)CC1CCCCCC1	2301131495	MORBEFWMGJPBBQ-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC(C)C1(C[C@@H](N)CCCCC2CC2)CCC1	2302572837	YPEQLUGZFGCHGG-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@@H]1CC[C@H]1C(C)(C)C	2303420108	OYCFACCRYBVDEU-CHWSQXEVSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@](C)(CN)C[C@@H]1CC[C@@H]1C(C)(C)C	2303475708	CSLSNBLQUZCKKF-DZKIICNBSA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H](CC)CCC(=O)c1cccc(C)c1	2307747315	NTQUVZXNXFZMJF-CQSZACIVSA-N	232.367	4.784	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309185008	PNCUDLUZPVXLNM-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)[C@@]12CCCC[C@@H]1C2	2313032218	ZOXURNBAEQUVNR-KLZNWCGWSA-N	248.410	4.742	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCCC1	2313185530	VJSFCCNYJCUMLZ-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@H]1CC12CCCCC2	2316503799	RNPSKNZVQUHVEN-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@]12CCC[C@@H]1C2	2317934715	UZHPUFPYLOZJDW-MLGOLLRUSA-N	247.357	4.551	0	10	BJAE	
C1=C(CCC[C@@H]2CCc3cccnc32)CCCC1	2318569953	UVCPQWMPXBBICY-OAHLLOKOSA-N	241.378	4.782	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)CCCC2=CCCCC2)C1	2318592729	MAICOQLLYIOWKI-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(C(=O)CCCCC2CC2)c(F)c1C	2318884861	HZEVJZDWHAYTKJ-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
C[C@]1(CC[C@H]2C[C@H]2C2CCCCC2)CCCCN1	2318942308	UYTPVZLNRSLCOF-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC2(N)CC3(CCCCC3)C2)C1	2319309476	VBSWCAFGNRIICI-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC1(C(=O)CC[C@@H]2CC[C@@H]2C2CC2)CCCCC1	2319736419	DUMSJGPALFWHQX-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CC=CC[C@H](NCC)c1cccc(C2CCC2)c1	2320656128	ZUPWBGGGTCZEJS-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)[C@H](CC1CC1)C1CC1	2320770102	CTIXXLIBYVPZMO-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](O)c2cc(C)ccc2C(C)C)CC1	2327678578	XCWUQIRGKPAGJH-INIZCTEOSA-N	246.394	4.732	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cc(C)ccc1C(C)C	2327702344	XIFZIBUCXHEYSX-PBHICJAKSA-N	247.426	4.945	0	10	BJAE	
Cc1ccc(C)c(-c2cc3cc(C)ccc3[nH]2)c1	1519641	NYSZUFMNYNUYIV-UHFFFAOYSA-N	235.330	4.760	0	10	BJAE	
CCCCCC[C@H](C)NCCCc1ccccc1	20306118	PJSWCMFRHXKJLZ-INIZCTEOSA-N	247.426	4.568	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccccc1C	21505644	FBVJEYICUOFDDG-GXTWGEPZSA-N	219.372	4.622	0	10	BJAE	
CCC[C@H](Nc1cccc(F)c1)c1ccccc1	21802484	YEYKOAYNMPASGB-INIZCTEOSA-N	243.325	4.779	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cc(F)ccc1C	22145880	ZQWMHPQOUXSKAO-FZMZJTMJSA-N	237.362	4.761	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccccc1OC(C)C	37126121	LFKOUYBXMINJKP-CQSZACIVSA-N	249.398	4.710	0	10	BJAE	
CCCCCCOc1ccc(C(C)(C)C)cc1N	66140852	CUQPXBILTUAYGL-UHFFFAOYSA-N	249.398	4.525	0	10	BJAE	
CC1=C[C@H]2[C@@H](CC1)C(C)=CC[C@@H]2C(C)C	70455185	QMAYBMKBYCGXDH-QLFBSQMISA-N	204.357	4.581	0	10	BJAE	biogenic,in-man
CCCC[C@@H](CC)CC[C@H](CCC)NCC	71083918	JMKNILAAUPTGLR-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)NC1CCC(C)(C)CC1	79620472	VAJZXUFDJWXSKW-AWEZNQCLSA-N	239.447	4.760	0	10	BJAE	
CCc1ccccc1N[C@H]1CCC[C@H](C2CC2)C1	81624228	UWBBHTGFTYYDOH-HOTGVXAUSA-N	243.394	4.630	0	10	BJAE	
CCCCOc1cc(C)c(NCC)cc1C(C)C	82723099	QYGUITVKZBFDQM-UHFFFAOYSA-N	249.398	4.729	0	10	BJAE	
CC[C@H](C)C[C@@H](C)n1c(C(C)C)c[nH]c1=S	83865573	MVVHRBASNYWEBG-WDEREUQCSA-N	240.416	4.666	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CC2CCCC2)CC1	86939190	FYKACYKXPSBULS-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
Cc1cccc(NCCC2CCCCC2)c1C	107800356	PSGUTRPVJHIPAD-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C2CCC2)c(C(C)C)c1	109787855	NIGSHYLHJNBQGM-KRWDZBQOSA-N	246.394	4.767	0	10	BJAE	
CCOc1cc(C)ccc1NC1CCCCCC1	109909379	DHCIWHBFHOWGHI-UHFFFAOYSA-N	247.382	4.528	0	10	BJAE	
CCCC(N)(CCC)c1ccc(C(C)C)cc1	110437782	NOPPSVFMYSDRRI-UHFFFAOYSA-N	233.399	4.564	0	10	BJAE	
CC[C@@H](N[C@H]1CCC(C)(C)C1)C1CCCCC1	129520155	CPPUQKYZSPSCMW-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCc1cc(CC)c(C(=O)C(C)(C)C)c(CC)c1	147844528	ZYCBNWVWTQFCNK-UHFFFAOYSA-N	246.394	4.603	0	10	BJAE	
CCCN[C@@H](CC1CCCCCC1)c1ccoc1	164941130	RHUXPYDXHHOQOS-INIZCTEOSA-N	249.398	4.681	0	10	BJAE	
CC[C@H](C)Oc1cccc(NCCCC(C)C)c1	165234540	VQAQYGVSPXFEOU-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
CC(C)CCC[C@@H](O)c1csc2ccccc12	165610501	VMCKHRZBTDMFEM-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CCC[C@@]1(CCCC(C)C)CCCCCN1	165928674	WIBLSXFFVASDJT-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](CCCC(C)C)C1	166178640	YXDPBVLIVMVVSN-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CC1CCCCC1	203313696	WBKDEGDMMITUOB-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](C)NC/C=C\c1ccccc1	214934043	QBTDRKKELANOLK-SCOADAFUSA-N	245.410	4.648	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CCC[C@@H](C)[C@@H]1C	219093238	MSSALMJFFXFOET-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@@H]2CCC[C@@H]2C)cc1	226653907	KNGQAGIEHYXFNX-CLROSIBMSA-N	246.394	4.670	0	10	BJAE	
CN[C@@H](CCCC(C)C)[C@H]1CCCCC1(C)C	226879914	JHKVOHOILHFWPC-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)[C@@H]1CCC[C@@H](C)C1	227089646	ZRZBKSAEFVWRMJ-TWBVXLPBSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H](CC[C@@H](N)c2ccccc2)C1	227161364	RYZLLURHAGYQLN-YQQAZPJKSA-N	245.410	4.683	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC[C@@H](NC)C(C)(C)C)C1	227182158	UYFAZYQHUHMVKO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)(C)C)c1cccc(C)c1	229311212	VMNJMPYPSJFNLG-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccc(Cl)cc1C	229619220	CDTWKADHNYWWAA-BXUZGUMPSA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@H](C)[C@H]1CNc2c(F)cccc21	232982022	XJMUTZNMWIZVMR-GXTWGEPZSA-N	249.373	4.941	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C1=CCCCCCC1	234415620	ZBIPJPMYPKGWOY-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C2CCCCCC2)C[C@H]1C	251861631	PXEQAFZYMHAMQP-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CC[C@]1(C)Nc2c(Cl)cccc2[C@H](C)[C@@H]1C	258217439	PALATFPEBGQPDQ-BFVZDQMLSA-N	237.774	4.674	0	10	BJAE	
CC1(C)CCC(c2cccc(C(C)(C)O)c2)CC1	258389407	SKSYDOOZBYPXRC-UHFFFAOYSA-N	246.394	4.598	0	10	BJAE	
Cc1ccc2cc(-c3nc(C)cs3)ccc2c1	259227167	IYLAWLNORCEBBX-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CC(C)CNC[C@H](CC(C)C)[C@@H](C)CC(C)C	302559434	LZMMKDYLUTVFGC-HOTGVXAUSA-N	241.463	4.577	0	10	BJAE	
CCc1c(SC)ccc2c(Cl)csc12	306619965	ULBHWCJOUDUOLU-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Cc1ccc(CC[C@@H](O)CCCC(C)(C)C)cc1	310579861	PGVATPRPONAKHG-INIZCTEOSA-N	248.410	4.505	0	10	BJAE	
CCc1cc(N[C@@H](C)C2CCCCC2)ccc1C	310628214	XYZDNTGAZLCUNA-AWEZNQCLSA-N	245.410	4.938	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCC[C@@H](C)C2)c(F)c1	310754542	KZSQZQLTUJVDSD-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
C/C=C\CC1(CNC(C)C)CCC(C)(C)CC1	318126500	WPPPQTZJZURATP-SREVYHEPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1C=CCCCCC1	383124344	LJNJORBGOJVPGV-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC1(C(=O)C[C@@H]2CCC[C@H](C)C2)CCCC1	383760498	DRGDVPGPMLJDOW-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCc1ccc([C@@H](O)CCC2=CCCCC2)cc1	384831964	FNPLSQBOAXWMOI-KRWDZBQOSA-N	244.378	4.563	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cc2cccc(F)c2o1	385348767	DMTNXLZLOWHBOT-SNVBAGLBSA-N	248.297	4.581	0	10	BJAE	
Cc1c(F)cccc1NC[C@@H](C)C1CCCCC1	386760391	GVHOVVSCSHRNCD-GFCCVEGCSA-N	249.373	4.762	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C[C@H]1CCC[C@H](C)C1	386856544	UCOZMKKXKIZDKM-VBNZEHGJSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)c1ccsc1	394229505	LJVFFKQMXSWKLX-JSGCOSHPSA-N	240.412	4.562	0	10	BJAE	
CCc1cc(C(F)F)c(C)c2ccsc12	396200597	ODIZLHWTBKWMBY-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCCCCC[C@@H](C[C@H](C)C1CCC1)NCC	398696798	IKYCVDZNTVPEJG-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H]1CC=CCC1	402262518	GVRZVHDYYDOXOB-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
CCC1(NCC2(C(C)C)CCC2)CCCCC1	687269772	LZNDACLHLAXFLD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1cccc(C(C)C)c1	688900607	QHRDBKYJLIFHFX-CZUORRHYSA-N	233.399	4.507	0	10	BJAE	
CC[C@@H](Nc1cccc(C2CC2)c1)C1CCCC1	690100370	WQUJCZSHKJKZLV-QGZVFWFLSA-N	243.394	4.945	0	10	BJAE	
Clc1cccc(NC[C@@H]2CC3CCC2CC3)c1	691701176	JYEDMGNNPBUPKY-BPCQOVAHSA-N	249.785	4.578	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](C)CC1CCCC1	695063326	UQSDTOHUIYJIMQ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCC[C@H]1C1CC1	695813848	ZBBGZADLIVBKTM-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
c1cc(NC2CCC3(CC2)CC3)cc(C2CC2)c1	695928710	AVMJKJZWBXDLJQ-UHFFFAOYSA-N	241.378	4.699	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)CCC(C)(C)C	696809508	WWAZABFIXYUDBH-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H](C)CCC	697776853	BHWGDEJAHKURGD-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CC(C)=CCC[C@@]1(CNC(C)C)CCC[C@H]1C	698055350	RQPSZTMPYDFBPG-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(N)CCC(C)(C)C)C1	704856319	RXZDOGICGGFMEY-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCCC[C@H]1c1ccc2c(c1)CC[C@@H](C)N2	704878395	DXEVFGDQWJMDBL-WOSRLPQWSA-N	243.394	4.727	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	704916421	WVISJJZBZYFPLK-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@H](C)CC(C)C	708299590	ZJBSRQCQOLOKEC-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(C[C@H](C)CC(C)(C)C)C1	709142659	JSWXVKITYPJHGU-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCCCCNc1ccc(C2CCC2)cc1	709658978	IXLMJVXABMINOQ-UHFFFAOYSA-N	217.356	4.556	0	10	BJAE	
CC(C)(CCC1=CCCC1)CC(F)F	710456886	OUYIMPVMRPYJEC-UHFFFAOYSA-N	202.288	4.558	0	10	BJAE	
Cc1cc(N[C@@H](C)c2csc(C)c2)cs1	710705427	KFTQFDXJYFDVRB-JTQLQIEISA-N	237.393	4.600	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C12CCC(CC1)C2	710975354	COCVGVXAOPAJEM-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](/C=C1/CCC[C@@H]1[C@@H]1CCCCN1)C(C)(C)C	711210256	RUKUIJPNMMWLPC-MEZLHTLBSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](C2CCCC2)C2CCC2)C1	711834888	ZBTBGTYRLPWUEZ-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)C(C)(C)C1CCC1	713666216	FPCWTSDJLZZZMQ-WAVCKPEOSA-N	249.442	4.703	0	10	BJAE	
C=C/C=C\CCC[C@@H](CC)CC(F)(F)F	713667552	BAAGNMMVVVHMAQ-ISALQUGTSA-N	220.278	4.878	0	10	BJAE	
C=C/C=C\CCc1cc(Cl)ccc1Cl	713739275	PMZACVDFFQWAHJ-ARJAWSKDSA-N	227.134	4.668	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@H]32)CC1	714313800	UEGAYZKHLOMNMM-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(CNC2CC2)CCC=CCC1	718082230	HYNNWDLPRVEADQ-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)C[C@@H](C)CC(C)(C)C1	718744098	YVLGRCUGIGTVNT-BBRMVZONSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)[C@@]12CCC[C@@H]1C2	822068955	OMNWRJVDVVXGGG-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CCN2CCC3(CCCC3)C2)CC1	1167487112	FKSRINHKLIRBBS-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCC[C@H](C)N(C)[C@H](C)c1ccccc1Cl	1257324184	KCYFQOULNFUDMC-NWDGAFQWSA-N	239.790	4.521	0	10	BJAE	
CCCNCC(=C[C@@H](C)CC)C1CCCCC1	1877095457	WKZYQGFOQAKGDU-AWEZNQCLSA-N	237.431	4.539	0	10	BJAE	
CCCCCCc1cc(F)cc(Cl)c1	1889470641	WWFMZIYLMARSGD-UHFFFAOYSA-N	214.711	4.602	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCCC[C@H]1C	1900694772	BTWCTVOKLHBLDA-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@H](CC)CC(C)C	1900700450	IXXJINIFHRMCIT-HUUCEWRRSA-N	228.420	4.636	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CCC(CC)CC	1900718996	WYWIBKNSXUWADR-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@@H]1CCCC(C)(C)C1	1906874166	QHXCTDJQROIPKN-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@@H]3CC[C@@H]32)c1Cl	1907050043	OEUYSOGFCRUDCF-FRRDWIJNSA-N	249.785	4.639	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1C[C@H]1C1CCC1	1910567022	CGTUCSWGSKZYFT-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(C)CCC[C@@]2(C)O)C1	1911278389	GZSLCKNPMOOHTH-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CC(CNC2CC3(CCCCC3)C2)C1	1912722944	SSZWVQLHBHVRFL-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@]1(CNC(C)(C)C)C=CCC1	1916386942	TUDSKXGLJHCNJC-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C(=O)CC[C@H]1CC1(C)C)c1ccccc1	1921419060	KGYRLHVGEPCMII-GJZGRUSLSA-N	244.378	4.576	0	10	BJAE	
CCc1ccc(CC)c(NCC[C@H]2CC2(C)C)c1	1921559579	XQPBHEKMADSDQN-HNNXBMFYSA-N	245.410	4.660	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@@H]1CCCC12CCC2	1921640973	OQFYRYUYHANQQI-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@H](C)C1CCCCC1	1924086710	ORVCQZALAWOBJX-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)CC[C@H]1CC1(C)C)C1CCCCC1	1924106179	BZQKQZJAFNLXJC-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@@H]2C=CCCCC2)C1	1925733639	FYSRSKZKOIDJGY-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCc1ccc(C(=O)C[C@H]2C=CCCCC2)s1	1925764873	GKVASKDPYPJDDA-LBPRGKRZSA-N	248.391	4.630	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCCC[C@@H]1CC	1926211101	AUUNERHIKMSFSL-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1cscc1Cl	1928731203	QTESBCGHESSTDV-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCCC(C)(C)C	1936206926	LZZRPCSYVRJHBK-ZIAGYGMSSA-N	227.436	4.602	0	10	BJAE	
CCCCC[C@@H](O)c1cccc2sccc12	1938281191	WATOIJSNHIVXIM-CYBMUJFWSA-N	234.364	4.515	0	10	BJAE	
CC(C)CC(=O)C1CCCCCCCCC1	1938722654	OUSZMVOJKRXIQB-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC1(CC(=O)C(C)(C)C2CCC2)CCCCC1	1940379539	OLJNZAMOENTLIX-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](CC(=O)CC(C)(C)C(F)F)C(C)(C)C	1941602835	SCLMKNFMONRFGN-JTQLQIEISA-N	248.357	4.699	0	10	BJAE	
CN[C@H]1CCCCC[C@H]1CCCCCC1CC1	1941688493	WNZQTXUEHASNKN-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
c1cc2cc(N[C@H]3C[C@@H]4CC[C@@H]4C3)ccc2s1	1941961584	SJUKOAWTKPDDMG-GNXNZQSNSA-N	243.375	4.502	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@@H]1CC1(C)C	1944742708	XMEJTDSDILGWAS-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(NCCC2CCCCCC2)CCC1	1945277958	BZMDTSZVHRQWBV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)C1(C)CCCCCC1	1948979268	JNNAFJRSAGNJIW-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCCCCC1(C)C	1949046279	ZXJBHLBDWXKBPV-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC(C)CC[C@@](N)(CCCC1(C)CC1)C1CC1	1949055382	PXCGVOUNFFLLIH-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)[C@@H](C)CCC(C)C	1949082076	ZYOIUVYINASLHP-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C(=O)[C@H]1CCC(C)(C)C1)C1CCCCC1	1949499531	UWQOUIDIQNJIMI-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)C=CCCC1(C)C	1949661422	LJISQJVLIIWKPQ-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1CCC(C)CC1	1962883123	ZBBGZZHSWPOHGU-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](NC2CCC3(CCC3)CC2)C1	1965978238	FANLWKPHADSTRI-GOEBONIOSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1CC(N[C@@H]2CCCCC23CCC3)C1	1967737615	BUCKEBFKXAKNEB-YMAMQOFZSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(NC[C@@H]2[C@H]3CCCCC[C@H]32)c1C	1968254383	GFYLNADXUSHBML-ZSHCYNCHSA-N	243.394	4.542	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC3(CCC3)C2)c(C)c1	1968255242	UGHBRIVFMFWGHX-OAHLLOKOSA-N	243.394	4.828	0	10	BJAE	
Cc1ccc(NC[C@H]2CCC3(CC3)C2)c(Cl)c1	1968289281	KVSFIYDQAFNNHW-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CC1(CCCN2CCC3(CCCCC3)CC2)CC1	1969666302	AWTFGTNTTGOJAJ-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@H]2CC(C)C)ccc1C	1969679126	HLYMIDUQSRVRSE-DOTOQJQBSA-N	245.410	4.794	0	10	BJAE	
CCc1cc(N[C@H]2CCC3(CCC3)C2)ccc1C	1969681286	USKOMARGIJYZKH-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
CCCC[C@H](CC)NC1CC2(C1)C[C@H]1CC[C@H]2C1	1970820055	PCOTXONSJDVLGP-OLGJIQAVSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](N)C1(C)CCC(C)CC1	1983318413	LCHFTCUBIAHRQA-SLTAFYQDSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@](N)(CC)CC(C)(C)C(C)C	1990093612	NAWBUYAPNOJNKO-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CCCCCc1ccc([C@@H](N)CCCC)s1	1991770931	FHFCVXSYGSUGJC-ZDUSSCGKSA-N	239.428	4.671	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@](C)(N)C1(C)CCCCC1	1995988817	QNBIEKFJYBBXTL-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1CC[C@@H](C)C1)NCC	1996248692	XPVWVEOAFFFUPO-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)[C@@H](C)CC(C)C)CC1	1997118719	ZMDCSUKCPRBIHB-XUWVNRHRSA-N	240.431	4.636	0	10	BJAE	
C1=CC[C@H](c2nc(-c3ccccc3)cs2)CC1	1997603909	JBJKBCLYLUWJSG-ZDUSSCGKSA-N	241.359	4.634	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@@H]2CCC=CCCC2)s1	1999992786	WZFXMYWHXOIUSN-KGLIPLIRSA-N	249.423	4.583	0	10	BJAE	
Cc1cc(S[C@@H]2CCCC(C)(C)C2)ccc1N	2000046939	CRBRVLHMZZMTFU-CYBMUJFWSA-N	249.423	4.638	0	10	BJAE	
CC(C)NCCC(C)(C)[C@@H]1CCCC(C)(C)C1	2000163733	UGLXGRMHWJUTTL-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@@H]1C=CCCC1	2000502092	KDWRFORSVZWQAB-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](CC)(CCC=C(C)C)CNCC	2000508994	KUGUGICEDIRGOI-INIZCTEOSA-N	239.447	4.929	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@H]1CC12CCCC2	2001259452	NTTVLPNEQODMQI-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(NCC2(C)CC=CC2)cc(C)c1Cl	2001695284	ZAGCTYKIFRNTOK-UHFFFAOYSA-N	249.785	4.725	0	10	BJAE	
CCCCCC1CCC(CN[C@@H](C)CC)CC1	2003108875	PVPBHGQTDPYKAD-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C(=O)CC1CCC2(CC1)CC2)C(C)C	2003274644	DXCCFXSAVZJWBT-AWEZNQCLSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCC1(CN)CCC(C(C)C)CC1	2009616970	NQWKOZYRCLFLAO-UHFFFAOYSA-N	237.431	4.524	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)C1=CC[C@H](CC)CC1	2010711907	DYBVRTNHOJEPCO-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](O)(CC)CC12CCC(CC1)CC2	2012823106	HEXLELQEBPJYBX-UYSNPLJNSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@H](CC)CCC(C)C	2013264814	QCKGVAOSIRFAPN-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C)[C@@H](CC(C(C)C)C(C)C)NCC	2015279267	VVRBREFUFPUNDX-GOEBONIOSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC(C(C)C)C(C)C	2015396287	CXGFMKWBJXARSV-GDBMZVCRSA-N	241.463	4.848	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@@H](C)C(C)C	2015400266	PXAMCSYBNLEHSZ-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2CCC[C@@H](C)C2)CCC1	2015597121	ZZTIQYNIJBPVCB-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1(C(C)(F)F)CCC1	2016005468	SALOFQLTJJPWRN-UHFFFAOYSA-N	244.325	4.518	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C[C@H]1CC[C@H](C)CC1	2017724328	XNFPKXKWLGCVSQ-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@H](CCC)NCC)CC1	2017727911	FTIIMSILTVCUEB-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCCCC1(C)C	2018138952	MRQDKHIGMHZBBI-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC[C@@H](C)C(F)F	2018188451	SCVJTIDRQGHMTC-CHWSQXEVSA-N	249.389	4.568	0	10	BJAE	
CCCC1(CC(=O)[C@H](C)C2CCCCC2)CC1	2018947871	LKGPDQBEBHATPB-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@](CC)(CNCC)CC1(CC)CC1	2018973391	HXKNOYSXQPHYSO-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCCN(CC1CCC(C)CC1)[C@@H](C)CC	2019180634	DJQAWEDOLKDVDK-PCKAHOCUSA-N	239.447	4.713	0	10	BJAE	
CCCCCCN1CCCC12CCCCCC2	2019292625	ZUPNSJXVJFWEJL-UHFFFAOYSA-N	237.431	4.756	0	10	BJAE	
CC(C)C[C@@H](C)N(C)[C@@H]1CCCC(C)(C)CC1	2019300889	YANHQMOLTUIXDQ-HUUCEWRRSA-N	239.447	4.712	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N(C)CC1(C(C)(C)C)CCC1	2019387010	SQEAXTARAVFDIB-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCC1CCC(CN(C)[C@@H](C)[C@H](C)CC)CC1	2019387590	WDQVKNDZFMEHPK-QVOMUQBLSA-N	239.447	4.569	0	10	BJAE	
CCN[C@H]1[C@@H](CCC(C)(C)C)CCCC1(C)C	2020361002	LTIVGRXXEDWXCK-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H]1CCC[C@@H](C)CC1	2020965139	BKHRGRSXLPLWSF-KBMXLJTQSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1CC[C@@H](CC)C1	2020966079	NNIAPPQPUJPHIO-BMFZPTHFSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@@H](C)C1CCCCC1	2020966512	OPBKYDVLMDQFJQ-BBRMVZONSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1C[C@H]1CCC	2022382227	FAVSUQDBXNDDPC-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](O)C[C@@H](C)CC(C)(C)C	2022467667	CRDBZQVAQGOCBJ-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1C[C@H]1COc1ccccc1C(C)C	2022543022	CECJSHIIEBJPTM-KBPBESRZSA-N	232.367	4.625	0	10	BJAE	
CCCCC[C@H](C[C@H]1CCCC(C)(C)C1)NC	2024102648	UYVGZZNVWJIAEV-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@@H]1CC=CCC1	2026165547	CIFKRTOMSBCDBO-ARFHVFGLSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)CC1=CCCC1	2027830386	IRXWZEWUIMNMKU-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@H](O)CCC[C@H]2CC2(C)C)c(C)c1	2027842657	JYHQLRVIILKYAX-GOEBONIOSA-N	246.394	4.553	0	10	BJAE	
CCN[C@H](c1cccc(CC)c1)[C@@H](CC)C(C)C	2028266399	VLBYONLTFAQEGK-DLBZAZTESA-N	247.426	4.582	0	10	BJAE	
Cc1ccccc1[C@](C)(O)CCCCCC1CC1	2028618819	KLEPFTDYRGFAIK-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1ccccc1C1CCC1	2029075309	QGKJKBDCYJXDMH-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CCC[C@@](O)(CC)c1ccc(C2CCCC2)cc1	2031746564	QHTUXMUJQAQFJN-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
C[C@H](CC(=O)c1ccc(C2CCC2)cc1)C1CC1	2032228675	JXJOFEXZRMJXAR-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc2cccnc2c1	2034180261	FJHSKKHCDMTBEA-CYBMUJFWSA-N	242.366	4.616	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CC[C@@H]2CCCC[C@H]21	2034262853	KVUREFADAXHQEO-NWANDNLSSA-N	247.357	4.515	0	10	BJAE	
CCN[C@H](CC[C@H](C)c1ccccc1)CC(C)C	2036948629	CPUCVCXHGRZUHF-DOTOQJQBSA-N	247.426	4.595	0	10	BJAE	
N[C@]1(C[C@@H]2C=CCCC2)CCC2(CCCCC2)C1	2037306420	OOEWHIHAPBGPHP-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
O[C@H](CCC1=CCCCC1)CC1CC2(CCC2)C1	2037983235	WDKJKLPLQGBMOG-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](CC(C)C)c1nc2c(C)ccc(C)c2[nH]1	2038001275	ZXAQCNWYKQWTRG-CYBMUJFWSA-N	244.382	4.719	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@H]2CC23CCCCC3)C1	2039079010	NESKMFHMUCVSGB-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)CC12CCC(CC1)C2	2039417906	MEOWXKJHRUNXEM-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@](C)(N)C2=CCCCCCC2)CC1	2040648485	UFAVBCSUSIAENE-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)C1(C)CCC1	2045325832	IRFSHZLLWXQEMY-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H]1c1ccc(C(=O)CCC2CCCC2)o1	2045561006	CCIPVNNQYISLEL-WCQYABFASA-N	246.350	4.556	0	10	BJAE	
CCCC1([C@@H](C[C@@H]2C=CCCCC2)NC)CCC1	2045718032	DXOZDBRKGYBEOO-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCCN(C[C@@H](C)C(C)(C)C)c1ccccc1	2046577788	UFGHJTYKIPWINQ-OAHLLOKOSA-N	247.426	4.975	0	10	BJAE	
CC(C)[C@]1(C[C@@H]2CC23CCCC3)CCCCCN1	2047020365	PCSQOBVKUJVDOC-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1CCC12CCC2	2047932509	MSNVQHBPRWSROC-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCC1)[C@H]1CC[C@H](C)CC1	2049635149	SPQZAPVTAMJDEQ-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)CCCCCCC3	2049676001	QAZWGWCRWVEZSS-UHFFFAOYSA-N	241.378	4.834	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](NC[C@]2(C)C=CCC2)C1	2049978647	HGMUFBYONKNXMV-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(CNC2(C3CCCC3)CCC2)C1	2050111447	VLWXDSCVYMVDEO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](N)CC[C@@H]2CCC[C@@H](C)C2)c1	2050460260	GVYRMRFMJPEPLE-UKPHBRMFSA-N	245.410	4.601	0	10	BJAE	
CCc1cc(N[C@H]2CCCCC23CC3)ccc1C	2053308782	SCPBCLMICGMPIR-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
N[C@H](C1CCCCCC1)[C@H]1CCCCC12CCC2	2053409754	BDYGGDOUDJXFSO-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@]2(CN)CCCCC23CCC3)C1	2053412423	SKPXCXFIOIHCGN-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C=C(C)CCC2)CC1	2055551005	FLNSYJLHGVSBEW-INIZCTEOSA-N	249.442	4.824	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C1(C2CC2)CCCC1	2057607850	AJLCQLAIBVOJRW-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@@H]1CCCCC12CCC2	2059261824	HPPBHNNXLNQPOV-MEGKRXCUSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(C1=CC[C@@H](C(C)C)CC1)C1CCCC1	2061110094	AXZBQWFFMYIDBL-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CCCCC2(C)C)CC1	2061113144	MCNOQBMMCCHNCY-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)C[C@@H](C)CC(C)(C)C2)CC1	2061114481	YSAUZBYOPBXODD-JJRVBVJISA-N	249.442	4.667	0	10	BJAE	
COCC1(CCC2CC(=C3CCC3)C2)CCCC1	2061725537	GQNAAUMJIMVNAL-UHFFFAOYSA-N	248.410	4.864	0	10	BJAE	
CCC(CC)(CC)c1nc2c([nH]1)[C@H](C)C[C@H](C)C2	2061879306	RHLAJDHKXGBHAU-NWDGAFQWSA-N	248.414	4.563	0	10	BJAE	
CC1(C)CC2(CC(C(=O)[C@]3(C)CC=CCC3)C2)C1	2063808829	XXOZMDOMDAQUOZ-MRXNPFEDSA-N	246.394	4.518	0	10	BJAE	
CN(CC12CCC(CC1)CC2)C1(C)CCCCC1	2065298237	PCSBERDARMNSAS-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC[C@]1(CCCC1CCC1)CNC1CC1	2068244036	MUDOTXZMEASKPI-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@@H]1CCC1(C)C)c1ccccc1	2068286367	FFIDSYIKESECQO-BPUTZDHNSA-N	245.410	4.552	0	10	BJAE	
CCN(CC(C(C)C)C(C)C)c1cccc(C)c1	2068926030	UGXZJOZVWBQBQN-UHFFFAOYSA-N	247.426	4.750	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC12CCC2)C1CCCCCC1	2069202664	PLNGTZZGPFHVIG-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCCN(CC1(CC)CCC1)c1ccccc1	2069326071	IYZJOYNNOKAKCZ-UHFFFAOYSA-N	245.410	4.873	0	10	BJAE	
CCCC1(C[C@H]2[C@@H](CN)CCC23CCC3)CCC1	2069342059	LNAABPIVQHIZQR-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
Cc1cccc(C)c1NCC1(C(C)(C)C)CCC1	2071951684	VLDQHOKSNANSML-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
CCC1CCC(C[C@@]2(CN)CCCC23CC3)CC1	2072810790	YYCXLQRIKGOPEH-VMBOVVBDSA-N	249.442	4.502	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)c2ccccc2C)CC1	2072868078	BJTJZWPOPQLIPG-SHTZXODSSA-N	244.378	4.784	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@]12CCCC[C@@H]1C2	2074025792	QNNSZNUVFQQVBW-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](N)C[C@@]23CCCC[C@H]2C3)CC1	2074030359	SQPORCTZGPEWDP-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@@]23CCCC[C@@H]2C3)C1	2074048524	XNMOLMXAITURCD-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2C[C@H](C)c3ccccc32)C1	2074893227	SHPNZBUSQPXQIM-ZNMIVQPWSA-N	243.394	4.579	0	10	BJAE	
CCCN(Cc1c(C)cc(C)cc1C)C(C)(C)C	2074994965	ZPZMKRNSRVZIEN-UHFFFAOYSA-N	247.426	4.622	0	10	BJAE	
CN(C[C@@H]1CC=CCC1)[C@H]1CCCC(C)(C)CC1	2075168272	PUZMUTPKUMKACY-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
C[C@H](N(C)[C@@H]1C=CCCCC1)C1(C)CCCCC1	2075406547	BNDSUNUPGFABAK-JKSUJKDBSA-N	249.442	4.776	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1Nc1ccccc1C1CC1	2077262856	YQPBYEZBCVHJPJ-WBMJQRKESA-N	243.394	4.801	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2C[C@@H]2C2CC2)CCCC1	2079328796	NVHFHOJHJOQYJF-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1C[C@H]1C1CCCCCC1	2079493035	VEFCTEFWTALWEX-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
C(CCN[C@H]1C[C@H]1C1CCCCC1)CCC1CC1	2079539931	ZHMWJURUETXNTI-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2C[C@H]2C(C)(C)C)cc1	2079621873	XWVMVYODLSNIGN-GDBMZVCRSA-N	245.410	4.904	0	10	BJAE	
CCCCN(C[C@@H]1C[C@H]1C(C)C)c1ccccc1	2080094228	OYJJCOGUYJZWIA-RDJZCZTQSA-N	245.410	4.585	0	10	BJAE	
CCCNC[C@@]1(CC=C2CCC2)CC[C@H](CC)C1	2081676046	FCQUYZQVYIHBQB-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@H]2CCC23CCC3)C1	2082978372	GPCLNUZVOCCNTD-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@H]1C[C@@H]1C=CCCC1	2083656349	NSWAFYZWLQLZCW-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2CCCNC23CCCC3)C1	2083809204	PENKYQBIGOOSGV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCCN(CCC1(F)CCC1)c1ccccc1	2084742185	URLNZQVKBXSJIQ-UHFFFAOYSA-N	249.373	4.575	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)C[C@@H]1C=CCC1	2084998842	SSAINVYXHUAKAD-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)C[C@H](O)CCCCCCC1CC1	2210527568	TUTZXGNBLAUVFY-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
FC1(F)CCC[C@@H]1CC/C=C/c1ccccc1	2213823391	RSXAGVMDGVXWOA-MDDUGHTDSA-N	236.305	4.915	0	10	BJAE	
CCCCCC(C)(C)CNCC[C@H]1C[C@@H]1CC	2215313769	UKHRBQHWQWPQGI-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C(C)(C)C(C)(C)C)C1	2215434325	VATHQOVASOILRK-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218384477	DWGNHYALGYYINY-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C/C=C/c1ccccc1)[C@H](C)CC	2219081121	MAAUBQRUVGKFOJ-BZYXRLQRSA-N	245.410	4.504	0	10	BJAE	
N[C@@H](C[C@H]1CCC2(CCCC2)C1)C1CCCCC1	2220291266	GTAUYUJSOGEZEG-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc2ccn(CC[C@H]3C[C@@H]3CC)c12	2220958391	HWGRUERSSXCBEW-HOCLYGCPSA-N	241.378	4.640	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1(C)CC2(CCC2)C1	2221005022	XKABWVOSCADUIN-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)C1(C)CC2(CCC2)C1	2221005689	YRBAWMZAFORDMV-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCCCN1CC1(C)CC2(CCC2)C1	2221069972	XPRFYCLZAIRPDB-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CN[C@H](C)CC1=CCCCCCCC1CC1	2223121420	IYMPLQFPCCTTAX-HUUCEWRRSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1ccc2occc2c1	2224200411	CVVVGUHTFOIJJI-HNNXBMFYSA-N	244.334	4.603	0	10	BJAE	
CCCCN(C)CC[C@H](C)CCCC(C)C	2244841295	OLOWGOXJQREDAK-OAHLLOKOSA-N	227.436	4.571	0	10	BJAE	
CCCCC(=O)CC1CC(CC(C)(C)C)C1	2245387247	SFRGDJFPFLHCKH-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC1(C)CC(C)C1	2246540322	QPETYQAHEMTCOX-PCKAHOCUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CN)CCC[C@@H]1CCCCC12CC2	2246636143	ZSHLJDAEBTXLPU-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2246664217	IDXVWSVGOZOEFA-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2CCC[C@H]2C)C1	2246667003	XEMYEAVYTGTGAP-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)CC1(C)CCCC1	2247122867	VICKJBPWNCEFGX-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC1=CCCCC1	2247511259	MJXQJSRBXISEMJ-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC[C@@H]1CCCC12CC2	2247607792	UPEYCNFJPQBQTC-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@H](N)CCCCC[C@H]2C[C@@H]2C)CC1	2248822368	SULGUXFRTKTUBL-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC1CC(CCC(=O)C[C@@H]2C=CCCCC2)C1	2251762699	HAJFVBIUYINRIQ-SHARSMKWSA-N	234.383	4.518	0	10	BJAE	
O=C(CCCCC1CC1)C[C@H]1CCCCC12CC2	2253831816	KNZPMDVSBPWILT-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC[C@@](N)(CC1CC2(CCCC2)C1)[C@H]1CC1(C)C	2254114657	UJFOOTCIQLXJSZ-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CCNC[C@]1(CCCC[C@H]2C[C@H]2C)CC=CCC1	2254581023	FQMWWWRUUDHPAI-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(N)CCCCC12CCC2	2254603711	DBZNDORDZSHZOE-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CCCCC12CCC2	2254603713	DBZNDORDZSHZOE-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCCC[C@@H]2C[C@@H]2C)c1	2254606460	FXALIPXGHKOBMA-ZMSDIMECSA-N	245.410	4.520	0	10	BJAE	
Cc1ccc(C)c(C(=O)CCCC[C@H]2C[C@H]2C)c1	2254609361	MAOZCWLACQRZSB-CABCVRRESA-N	244.378	4.703	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(CC2=CCCCC2)C1	2255099248	IVUGTCFNTPLFNV-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
O=C(CC1=CCCCC1)[C@H]1C[C@H]1C1CCCCC1	2255138349	ZSGVURAMUISOPN-HOTGVXAUSA-N	246.394	4.662	0	10	BJAE	
CCC1CCC(C[C@@](C)(N)[C@@H]2CC23CCC3)CC1	2256459482	RTXJTIKHIFSJRM-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
NC1C[C@@H]2CC[C@H](C1)C2CCCCCCC1CC1	2257992481	JSDALDURFRWKRQ-RYTJFDOTSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccc(C2CCC2)cc1	2259447376	MLNNJIVCNVPOQY-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@]12CCC[C@H]1CC2	2260602952	GSPJNBOEYFZMQD-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(OC[C@]23CCCC[C@H]2CC3)cc1	2260646732	MXZIVKKHNHMBJF-DOTOQJQBSA-N	244.378	4.598	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](C[C@H]2CC23CCC3)C1=O	2261448686	GQGJDXDTWBAJID-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC[C@@H]1C[C@@H]1C)NCC	2298128624	MGZXOQCXRRBXFP-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(CN)CC12CCCCC2	2300697593	QOBSGWLIRKQTGF-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCC(CC)CCC1(CN)CCC(C)(C)CC1	2300702831	ZJPSZNZYILMVEP-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CCC(C)=CC[C@H](O)[C@@H]1CCC[C@H](CC)CC1	2300875348	UINUNVOCVZAKHG-XHSDSOJGSA-N	238.415	4.700	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@H]1CN)CCCC(C)C	2300884215	POINZSMSNAPUKL-HOTGVXAUSA-N	237.431	4.524	0	10	BJAE	
CCC(C)=CC[C@H](C[C@H](CC)C(C)(C)C)NC	2300904901	TVPBIQNGMOJCDF-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CCC1(C)CC([C@@H](O)CC2CCCCCC2)C1	2301133172	ISXMKNRSJSLYQY-PCKAHOCUSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1[C@@H](C)C[C@H]1C	2301162155	YMIVDSHCWQMRJE-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC[C@H]1CCC(C)=C(C)C1	2303458718	JZSLSHSRADHXIZ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C(=O)C[C@H]1CC[C@H]1C(C)(C)C)C(C)C	2303472796	CMIKQDLDYVKKIL-HZSPNIEDSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H](CC[C@](C)(N)CC2CCC2)C1	2304437582	YQGZOVIGLWGENM-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C12CCCC1CCC2	2307910600	OPXHKPVQFACEMS-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CC[C@@]23CCC[C@@H]2C3)C1	2310386349	FEBLJOXPPMGION-DJIMGWMZSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1CC[C@@H]2C[C@H]12	2315868605	AURPKBMPTOBIFS-OAGGEKHMSA-N	243.394	4.576	0	10	BJAE	
CCCc1ccc([C@H](CC=C(C)CC)NC)cc1	2316502352	KYCLVBSOPVRHQO-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H]1C[C@H]1C1CCCCC1	2316508938	FTWZZTFJJXMLBW-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@@]2(C)C[C@@H]21)CCCC(C)C	2316533327	YCLRUJXMZXLUPQ-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CC(=CC[C@H]1CCC=C(C)[C@H]1N)CCCC(C)C	2316567615	JNYRFXVBTNRANX-IAGOWNOFSA-N	249.442	4.833	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316697074	JSGFXEWHXDWXFW-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316744823	RQZYUUJSHBUEOC-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CCC(C)=CCC(=O)c1ccc(F)cc1C1CC1	2317106905	GZSVNHMNERXXPK-UHFFFAOYSA-N	246.325	4.632	0	10	BJAE	
CC(C)c1ccc(F)cc1NCCCC1(C)CC1	2317914410	BYERBPHXBQSIMR-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)C1=CCCCCC1	2318934593	XTUBAVKPCWQZOI-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)[C@@H]1CCC2(CCCC2)C1	2318936227	NBWXPGGZBBZCGN-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2C[C@H]3CCCC[C@@H]32)C1	2319120213	AUONPLWZVZOJCA-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@H](N)[C@@]1(C)CC=CCC1	2320240995	QNZNANAHAPWGEP-IVSAIRAKSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)c2ccc(C)cc2)CC1	2320388356	PJOOPRDYMJCMIR-MRXNPFEDSA-N	243.394	4.568	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CCC2CC(C)C2)CC1	2320389371	ZROCOFLEJRZKNX-PLOGVPAPSA-N	249.442	4.667	0	10	BJAE	
CC(=O)CC(C)(C)Cc1cccc(C2CCC2)c1	2320671533	PPJSWDDKPCKBFV-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CC[C@@H]2C2CCC2)C1	2321634292	QFHWKQUACVDXNL-UNEWFSDZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@]1(C23CC(CC(C)C)(C2)C3)CCCCCN1	2321638987	GSQZQLFHBJQIPG-JCYILVPMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CCN(C2CCC2)C2CCC2)C1	2321639234	IXJIVHPTDUYWKQ-CQSZACIVSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)CCCCC23CC3)C1	2321650298	SRACEJYGUJHVJM-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C[C@@H]3CC[C@@H]3C2)c1F	2327802156	NEGHJGRUJSKKIS-ITGUQSILSA-N	247.357	4.550	0	10	BJAE	
CCCCCCc1ccc([C@@](C)(O)CCC)cc1	2327909239	AXSFEZMRWABRDY-KRWDZBQOSA-N	248.410	4.817	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CC)Cc1ccccc1	2328192926	HPRVMWSIMYMILW-DOTOQJQBSA-N	248.410	4.587	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@@H](C)c1ccccc1	2328283161	VHXBFKCCEWJPDK-CABCVRRESA-N	246.394	4.966	0	10	BJAE	
CCCCCCNc1cc(Cl)ccc1Cl	20358993	KYTVXVXTRWDWJK-UHFFFAOYSA-N	246.181	4.986	0	10	BJAE	
CCC[C@@H](Nc1ccccc1C)c1ccccc1	21031274	XREUBZFZQXGMBZ-QGZVFWFLSA-N	239.362	4.948	0	10	BJAE	
CCC[C@H](C)CNc1ccccc1C(C)C	21503331	KUKAFCBMYNIRBN-ZDUSSCGKSA-N	219.372	4.658	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)c1c(C)cc(C)cc1C	35547847	YSXDONXJARJGGH-HNNXBMFYSA-N	247.426	4.699	0	10	BJAE	
Cc1ccc2c(Nc3ccccc3)ccnc2c1C	41055325	GLEWISKSTYYWMP-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@@H]1CCCC[C@H]1CC	68848425	MKTGQPYQGQTNIQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](O)[C@H]1CCCC[C@@H]1CC	84739447	RFWSBFCIUAPRSB-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H]2CCCC(C)(C)C2)C1	85063947	DIEHEXQYIYBLNG-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(OC2C[C@@H](C)C[C@H](C)C2)c(C)c1	85155079	IJROBBRARQMUJT-STQMWFEESA-N	232.367	4.507	0	10	BJAE	
CC(C)(C)[C@]1(O)CCCC[C@@H]1C1CCCCC1	89661362	DCFBFVOHNVBAIH-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)C2(C)CCCC2)c1C	94906743	JZXWBEPDLBFYBR-MRXNPFEDSA-N	246.394	4.534	0	10	BJAE	
Cc1cc(F)ccc1NC1CCC(C(C)C)CC1	109757295	HUYNTHXBPQOVIG-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)c1ccc(C)cc1C	109944663	RVVOWZGXRVGLFB-CABCVRRESA-N	233.399	4.533	0	10	BJAE	
CCCC(CCC)Nc1ccc2ncccc2c1	109954796	FWBQHIBZJCTBIJ-UHFFFAOYSA-N	242.366	4.616	0	10	BJAE	
CCCCCC[C@@H]1CCCc2ccccc2[C@@H]1O	109995016	MZTMGWYQVQOPBG-NVXWUHKLSA-N	246.394	4.643	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(F)cc1C	110158975	GRVFJSIYBWEKIQ-CYBMUJFWSA-N	237.362	4.762	0	10	BJAE	
C[C@@H](C[C@@H](N)c1cc2ccccc2o1)C(C)(C)C	128166572	CFQODAJOQZHGBD-WCQYABFASA-N	245.366	4.505	0	10	BJAE	
CCCc1cccc([C@@H](NCC)C(CC)CC)c1	131551000	JFVSPAUQGVSQGI-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCC(CC)C[C@H](N)c1cccc2ccccc12	148302626	MNHLILOZODJFAS-KRWDZBQOSA-N	241.378	4.666	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCC(C)(C)C[C@@H]2C)c1	155825944	QARZSUPSIIPWCO-HOCLYGCPSA-N	245.410	4.930	0	10	BJAE	
CCCC(CCC)(CNCC)C1=CCCCC1	161447746	ZGABZHBCCPVKGR-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCCC(O)(CCC)c1ccc(C2CCC2)cc1	165411745	OQLAODFCNIRWIM-UHFFFAOYSA-N	246.394	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1c(C)oc(C)c1C	165788703	NFFJQDWUTXBXBI-KGLIPLIRSA-N	248.366	4.604	0	10	BJAE	
CC(C)CCCC(C)(C)[C@H]1CC[C@H](C)CC1=O	166168329	PMJRVCDJXLADQQ-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
Cc1cccc(F)c1N[C@@H](C)C1CCCCC1	224941684	CECMLFBCOLMKAV-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1[C@@H]2CCCCCCCCCC[C@H]2[C@@H]1N	225168623	JOAIQQWJTAGQJG-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](N)[C@H]1CCCCC1(C)C	226818964	FMSHYZIXSFDWBT-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1CCC[C@@H](CC)C1	226927719	CAJLZTGCTVAYGI-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc([C@H](O)CCC(C)(C)C)c1Cl	229341514	RXYSAFORTZLSCL-GFCCVEGCSA-N	240.774	4.508	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCC[C@@H](C(C)C)C1	230994463	RTQHZMGVKJWDIO-NUEKZKHPSA-N	239.447	4.616	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@H](C)C1)c1ccccc1	251543621	ASKRKQCLGCLWTE-YQQAZPJKSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)[C@@H]2CCCC[C@H]2CC)C1	251592015	JYNAKVVVHSBSQH-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](Nc1c(C)cccc1Cl)C1CC1	304392171	YVQVDYSMDJTOND-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
O[C@H](CCC1CCCC1)C1CCCCCCC1	305897735	RINIETDXUWOWCR-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CN[C@H](CCC[C@H](C)CC(C)C)c1ccccc1	305901654	BFPOWGQZDNSBGU-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
Cc1cc2scc(C(F)F)c2cc1Cl	306601488	CEGDPIYHNTUSJF-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](NCC)C1=CCCC1	308071900	JAERPJSQIMOMLJ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)c1csc(C2CCCCC2)n1	309357198	NMRGYUIZLMRGAL-UHFFFAOYSA-N	237.412	4.878	0	10	BJAE	
CC[C@@H](N[C@@H]1C=CCCCCC1)c1cccs1	310066625	GHOMYZJWMJMHAH-ZIAGYGMSSA-N	249.423	4.678	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC12CCCCC2)C1CCC1	313057150	XSOMIFHHNVXBGK-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)c1cccc2ccsc12	320170157	YVORTPXSRNAAGU-WDMOLILDSA-N	247.407	4.583	0	10	BJAE	
CCC[C@@H](Nc1cccc(C(C)C)c1)C1CC1	379744047	ZJHKZWTUWZIUPZ-MRXNPFEDSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)c1ccoc1C	381163267	ADCHAEPLYUUNGC-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1csc(Cl)c1	382066466	DSPXPUPIMKQQEU-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCCC[C@@H]1C	383188749	OKOWSDKANPFEDJ-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](N)CCCCCC(C)C)C1	383237710	IGBPVKRJMYIJOA-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCCC[C@H]1N	383415683	YIUIHDQZKPZSOA-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](O)c2ccccc2C(C)C)C1	386289045	GPUWTXITLCZVQJ-KEYYUXOJSA-N	246.394	4.670	0	10	BJAE	
CCC1(C(=O)c2cc(C)c(F)cc2C)CCCC1	386361665	WHGJWTRAILXSOX-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@@H]1CCC[C@@H](C)C1	386597976	GLOUKRVSPFWWFY-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1Nc1ccsc1Cl	387186555	FOPAXHHFEOBKCT-UTLUCORTSA-N	243.803	4.638	0	10	BJAE	
Cc1cc(C)cc([C@H](C)Nc2cscc2C)c1	387345453	RBEVTCFUSNJTJM-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CCN[C@@H](C)[C@@H](CC)CCCCCC(C)C	394763175	OEUDUPXBNHDSRD-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
Cc1cscc1N[C@H]1CCC12CCCCC2	395756478	HGLSLBWPYPNSCK-ZDUSSCGKSA-N	235.396	4.581	0	10	BJAE	
CCc1cc(F)c2sccc2c1C(F)F	396193446	GKQIFSQWFMDJMZ-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1c(F)sc2c(C(F)F)cccc12	396207878	FLNUDWQELQAHSN-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
Cc1cc2cc(S)cc(C(F)(F)F)c2s1	396299723	JNSAQPDZIQKIHR-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC[C@H](N[C@H](C)CCC(C)(C)C)[C@H]1CC1(C)C	397610002	OZTAXWVMTVIPCI-MCIONIFRSA-N	239.447	4.616	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)[C@@H]1CC1(C)C	397618771	RDZXNDFSFUEWRG-JSGCOSHPSA-N	231.383	4.657	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)c1sccc1C	400376087	CSNQOYCFZJLPLM-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@@H]1CC=CCC1	402387849	PHCDFLGBQCZYCE-BZUAXINKSA-N	238.415	4.556	0	10	BJAE	
CC1(CNc2ccc3c(c2)CCCC3)CCCC1	404706175	PQBCMRPLCVTFNY-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CCc1cccc(C)c1NCC1(CC)CCC1	687526618	QCNDDCRMZGQEIX-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CCCCCC[C@@H](C[C@H](CC)CC(F)F)NC	688899138	NJHSVGGJWWJJOP-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC[C@H]2C)c(C)c1	691070692	KZURNNDKCZSFLA-UKRRQHHQSA-N	231.383	4.684	0	10	BJAE	
CCc1cc(N[C@H]2CCCCC[C@H]2C)ccc1F	691107430	XEIGKOYWCNGGNW-WBMJQRKESA-N	249.373	4.769	0	10	BJAE	
CC(C)CCCN[C@H]1CCCCC[C@@H]1C(C)C	691172026	XEUISZQDBNNWCA-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
C1=C(Cc2ccc3sccc3c2)CCC1	691793323	GYHNHFYAQNQZEN-UHFFFAOYSA-N	214.333	4.554	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC[C@H]2C2CC2)c1C	696106626	UKANTXIYMWIKHK-DOTOQJQBSA-N	243.394	4.684	0	10	BJAE	
CCC(C)(C)CCOc1ccccc1Cl	696786207	QGVCWCOZLRJNOU-UHFFFAOYSA-N	226.747	4.545	0	10	BJAE	
CCC(C)(C)CC[C@H](C)[C@H](NC)c1ccccc1	696801162	DZESVQGTHDAHNO-HOCLYGCPSA-N	247.426	4.800	0	10	BJAE	
CN[C@@H](CC1=CCCC1)[C@@]1(C)CC[C@@H](C)C1(C)C	699111016	UDTRXBDFZFICFE-UKPHBRMFSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NC2C(C)(C)CCC2(C)C)cc1F	699620337	HWBKYKLJDMLMQT-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCC(CC)CC1(N)CCC2(CCCC2)CC1	704440983	JEHLUGAIMDCNJP-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1C[C@@H]([C@]2(N)CCCC23CCCC3)CC[C@H]1C	704446860	JSBKKUSWMLNSNP-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@@](C)(N)c1cc2ccccc2s1	704505385	DGIDVFGTJIFWKR-XHDPSFHLSA-N	247.407	4.511	0	10	BJAE	
CC(C)c1ccc([C@](C)(N)C2CCCCC2)cc1	704871611	HTQJBDUDEIECKP-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(N)CC1CCCCC1	704889870	PLMGXASLLCWECR-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@@H]2CCCC23CCC3)CC(C)(C)C1	708293538	ATVAKRBMYXIVJB-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@H](O)[C@@H](C[C@@H](C)CC(C)(C)C)C1	709073259	FHDUQBKHGHQROL-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C[C@H](O)CCC(C)(C)C)C(C)(C)C	711182717	ZKVIEFDRMQWJHY-CHWSQXEVSA-N	228.420	4.636	0	10	BJAE	
CCN[C@@H](C[C@@H](CC)C(C)(C)C)CC(C)(C)C	713170120	UAXAPQSGFPLILG-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)C1CCCCCCC1	713176406	XKCNYTGFCVGGQL-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C=C/C=C/CCC[C@@H](CC)CC(F)(F)F	713667558	BAAGNMMVVVHMAQ-MVIFTORASA-N	220.278	4.878	0	10	BJAE	
C=C/C=C\CC[C@]1(CNCCC)CCC[C@@H](C)C1	713714520	AKGAMMYCTHDKJK-SEDCNLEPSA-N	249.442	4.705	0	10	BJAE	
CCCN[C@H](C1CC2(CCC2)C1)C1(CCC)CC1	717563353	OLMCSDNXXOVRCZ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1CC2(CCC2)C1)C1(C)CCCCC1	717616346	FRRYKRDRBALFJS-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1cc(C)sc1C	718695365	UQGDJUDIRDFIGU-AWEZNQCLSA-N	238.396	4.535	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCCC2CC=CC2)CC1	724178503	FBOOCEZBCGTXBE-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(CC2CCCCC2)c1N	725424001	MDJRVPWIUSNTCC-UHFFFAOYSA-N	231.383	4.515	0	10	BJAE	
CCCCOc1ccc(C2(C)CCCC2)cc1	1614662955	UEYDVEGBGOSLME-UHFFFAOYSA-N	232.367	4.697	0	10	BJAE	
CC(C)=CCc1c(Cl)cc(C)cc1Cl	1893730141	UXZCXVLPXUPOHZ-UHFFFAOYSA-N	229.150	4.811	0	10	BJAE	
CCCC[C@@](C)(CN)CC1CCCCCC1	1901060922	MYAWWRVELYZMEF-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CC(C)Sc1cccc(C[C@@H]2C=CCC2)c1	1905161968	JKLFXYLUKSMJQQ-CYBMUJFWSA-N	232.392	4.696	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)C(C)(CC)CC	1905357915	DKUSWTBXZAPRMA-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](CC[C@@]12CCC[C@@H]1C2)NCC	1908419566	GALNOWQBBQYOPF-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)c1ccc2sccc2c1	1910140732	WRTDOFPEJKJFDW-GHMZBOCLSA-N	244.359	4.520	0	10	BJAE	
CCC1CC(C(=O)c2cccc3sccc23)C1	1921302424	QMNQEDFJWRKSRC-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CC[C@@](C)(CC[C@H]1CC1(C)C)CNC(C)(C)C	1921423123	BGUWOWUATHKMGI-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CNC[C@@H]1C=CCCCC1)C1CCCCC1	1925818959	FVAPOFKDOVDVGX-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
C1=C[C@H](CCc2ccc3c(c2)CCC3)CCCC1	1925830857	UMXMZJOSOCZHNN-HNNXBMFYSA-N	240.390	4.854	0	10	BJAE	
C[C@@H]1C[C@@H](NC[C@H]2C=CCCCC2)CC(C)(C)C1	1925916556	HERROTUDLNTVEX-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](O)CCC[C@@H]2CC2(C)C)CCCCC1	1940875352	IPURTULMYXYRNM-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC1(C(=O)CC2CCC=CCC2)CCCC1	1941791844	QNFWODSITGXTSX-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(N)CCCC12CCCC2	1942659102	QPUHEWFUNRSEFW-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@](C)(N)CC(C)(C)C)C1	1944201849	FQAVIFIBZUNLNV-NHIYQJMISA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC(C)C)CCCC1(C)C	1944479016	XYHQLYJVHDPOJV-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H]1CCC[C@H]1C)C(C)(C)C	1944796789	IFJADCXDGHAGKL-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCC[C@@H](CNC2(C)CCCCCC2)C1	1945604775	FLTHHLCIKQNVGJ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCCCCCC1(F)F	1947291077	ZVFFNBCTVBZTBY-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC1(C)CCCCC1	1947466836	ZWUBKFBSIMWGDJ-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC1CCC([C@](C)(O)[C@@H](C)CC(C)C)CC1	1948333277	RHJWWGVGHTZSOA-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C(CC)(CC)CC)C1	1948929525	JUJIDXLCZNUNIE-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CCCC1(C)CC1	1949052418	AXCTVVCKUQJFCE-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H]1c2ccccc2NC[C@H]1C	1949108957	HBDCINIFIOUGKS-GZBFAFLISA-N	231.383	4.658	0	10	BJAE	
CC(C)CC1(C(=O)[C@H]2CC[C@H](C)C2)CCCC1	1949505121	IUODCKIVXRWDBH-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC1(C[C@H](O)[C@H]2CCC[C@H](C)CC2)CCC1	1950911244	MYMCDFDOOGKQQQ-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)[C@@H]1CCC[C@@H](C)CC1	1950929728	JEXDACGRZPZBFG-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCc1ccc(Cl)cc1Cl	1954019582	PZLWUQYMGVLORE-UHFFFAOYSA-N	215.123	4.502	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1NC[C@]1(C)C=CCCC1	1967836922	KLHNRRVOEJFFTJ-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1OC[C@H]1CCCC(C)(C)C1	1968269795	FRBGMAWRQGSXNE-AWEZNQCLSA-N	232.367	4.590	0	10	BJAE	
CCC[C@H]1CCCCN1CCC1CCCCC1	1970605084	IEXZWFZHSRIRNU-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC2(CCC2)C1)C1CCCC1	1970931564	IBKHDXNSFRCHPG-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(-c2nc(C3CCC3)cs2)c(F)c1	1971321652	MKZMDTMTTHMPCO-UHFFFAOYSA-N	247.338	4.525	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1cc(C)c(Cl)cc1C	1977429259	YECGJZPEBPDDFK-AAEUAGOBSA-N	237.774	4.557	0	10	BJAE	
Cc1cscc1NC[C@@H]1CCC=CCCC1	1978290778	SKNMXVVTRBOQLI-CYBMUJFWSA-N	235.396	4.605	0	10	BJAE	
FC1(F)CCC[C@@H](C[C@@H]2C=CCCCC2)C1	1978410496	MIJMJNGGZYICNH-OLZOCXBDSA-N	228.326	4.948	0	10	BJAE	
CCCN[C@H](C)C(C)=CC(CCC)CCC	1981294771	ZYVXDONQILGJAK-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CCCCSC	1981568364	MZDHFGGNMOEPHE-CYBMUJFWSA-N	244.444	4.695	0	10	BJAE	
C/C=C/CCC[C@@H](CC(CC)CC)NCC	1984630745	VEKFLIWNDXEPSJ-BOSPYUDASA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CC1(CCC)CCC1	1988456625	DISIBPUIIPIDMG-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCC1(C[C@@](N)(CC)C(C)(C)C)CCC1	1988467764	YAVVYHQULPAQEI-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](O)(CC)C1=CCCCCC1	1990090313	AJIQLGIOSAKPGT-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H](C)c1cccs1	1990903195	IXTJWGVQCAXDGY-STQMWFEESA-N	239.428	4.566	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)C1CCCCC1	1995252934	AYWJQARCGLVJFW-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC[C@](O)(C[C@@H](C)C(C)(C)C)C1CCCCC1	1996555887	UNGPDIUOGLWIPG-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC[C@](N)(CCC(C)=C(C)C)C1CCCCC1	1996571735	XXKMFWJAKAHDAG-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCC[C@H](CC)NC[C@H]1CCC[C@H](CC)CC1	1997099796	ILPVIFSCIGULGG-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@H](CC)CC1)C(C)(C)C	1997104127	IYQXQFQBLOSKLT-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)c1ccc([C@H]2C[C@H]2C)o1	2000190407	MYRGDHPNPBMSLD-NEPJUHHUSA-N	234.339	4.556	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@@H](C)CCC(C)C	2000324595	UQYOOXHGEILJKC-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CC1CC1)C1(C)CCCCCC1	2000390650	PKHSAOJYNWTBNJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CNC)C[C@H]1CCC=CCCC1	2000505192	OSGLYLSWLUEEBY-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](N)[C@@H](C)CC)CC1	2003067130	NMABHHFCRHAVRV-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@]2(O)C[C@H]2CC)CC1	2003104831	ZEKPNXDCNZSAPA-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H]1CCCCCCC[C@@H]1N	2003112018	QOGRFTHHLTWGFU-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC[C@H](O)c1ccccc1C	2003625791	HDSJPKYQCUBYSU-HNNXBMFYSA-N	234.383	4.635	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H]1CCC[C@@H](C)CC1	2004226196	MBQDVGMTXHSOAR-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC1([C@@H](N)CCCC2CC2)CCCCCCC1	2004922701	JYCOIDQGZUKUNV-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCC1CC(CC2(N)CCCCCCCC2)C1	2007754436	OIIQAPQZUWGAOT-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C/C=C/CCCN(C)[C@H]1CCCC(C)(C)CC1	2009577859	OXYALBQEEBJBDG-NFAHFFEMSA-N	237.431	4.633	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1CCC[C@@H](CC)CC1	2009597410	DBLKDDVGRQLRRY-OAGGEKHMSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(O)CCC(C)(C)C)CC1	2010727203	VLGBEVZNHADDQT-CJNGLKHVSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)C(CC)(CC)CC)CC1	2010748442	NYYWGXCWQUXVLI-DZGCQCFKSA-N	237.431	4.667	0	10	BJAE	
CC(C)c1ccccc1CC1CC(=C2CC2)C1	2011091312	XHLWWDDVKYBFDU-UHFFFAOYSA-N	226.363	4.853	0	10	BJAE	
CC[C@@H](CCC(C)C)NCCCC1CCCC1	2013262847	DKTKTIQAZXMSBV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CCCC1(C)CC1	2013308267	DMBXKFQTKFDDIJ-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)[C@@H](N)c1sc2ccccc2c1C	2014290259	CCSIUJYCNYOVJD-AWEZNQCLSA-N	247.407	4.646	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(O)CCC1CCCCC1	2014903614	UBHMZJGJNXMUFD-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C[C@@H](C)C(C)C	2015397363	HUOHAJPYHQZZLF-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1csc(C2(CC3CC3)CCC2)n1	2015747274	LQMJSJWPZHSEPF-NSHDSACASA-N	249.423	4.878	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)C1(C)CCCCCCC1	2016418190	LXWRUYCJQPZHEG-CJNGLKHVSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@]1(C)C[C@H]1C	2016468163	PBPBLXQGHWOKOL-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
S=c1cc[nH]cc1-c1cccc(C2CCC2)c1	2017185986	UWPBZWPTTLSTKQ-UHFFFAOYSA-N	241.359	4.679	0	10	BJAE	
CC(C)=C(C)CN[C@@H]1CCC[C@@H](C(C)C)CC1	2017469624	TULLXJNJDOOXPI-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CNCC(C)=C(C)C)CC1	2017663873	ZOBPASVFWGCAGT-WKILWMFISA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H](C)CC1)[C@@H](C)CC	2017723543	UKWJNJIYXRECEU-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@H]2CCCC[C@@H](N)C2)CC1	2017738484	VAOCOIVFCVGRDQ-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@]12CCCC[C@@H]1C2	2018587472	MLMLVTQSDOXMCU-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCC(C)(C)[C@H]1NCC	2020361733	SADLZYDOSLKDNX-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](CCC(C)(C)C2CC2)C1=O	2020392790	PUJYQHSGPSXJHN-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C2=CCCCCCC2)C1=O	2020394566	YVDXFCNIDAJZRE-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCCN(C1CCCCCC1)[C@@H]1CCC[C@@H]1C	2020507439	GAVIBZCMDOPWGV-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H](C)[C@@H](C)CC	2020537228	KISWIKDZNAMMPS-GJZGRUSLSA-N	239.447	4.856	0	10	BJAE	
C[C@H](CCC1CCCCC1)[C@H]1CC[C@@H](N)CC1	2023548839	BVUNJEIBLDPGRQ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2C[C@@H](C)CC2=O)CC1	2023634517	YPGOFALSHWUQPP-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCC(C)C)C[C@H]1CCCC(C)(C)C1	2024094317	JGMXHFLKKILOTK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@@H](O)CCCCCC2CC2)C1	2025346808	YJCQTPPICXLFKE-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC1CCCCC1	2026167963	WMAWVVUMKBXMAP-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(F)cc(-c2nc(C3CCC3)cs2)c1	2026539668	FWHKAZGNFRXBNP-UHFFFAOYSA-N	247.338	4.525	0	10	BJAE	
CCC(C)(CC)[C@@H](N)Cc1ccccc1C(C)C	2027451172	QMFVSTISIJGVEZ-INIZCTEOSA-N	247.426	4.506	0	10	BJAE	
C[C@H](CC(=O)c1ccccc1C(C)(C)C)C1CC1	2027622135	CDTLJIAEBBGOMV-GFCCVEGCSA-N	244.378	4.603	0	10	BJAE	
CC(C)[C@H](NCCCC1(C)CC1)c1ccccc1	2027807090	BFTLXIGPQYTZQS-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1ccc(C2CCC2)cc1	2028227229	BAOHYFMDLRWZGP-SJORKVTESA-N	246.394	4.670	0	10	BJAE	
CCCc1ccc([C@H](N)[C@H](CCC)C(C)C)cc1	2028261900	ILDBEWPPGRMRRA-SJORKVTESA-N	247.426	4.711	0	10	BJAE	
CCN[C@H](c1cccc(C)c1C)[C@@H](CC)C(C)C	2028265377	RWXULLDTFPQKFG-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@@]1(C)C=CCCC1	2030354021	LGQKXPSHXPIPEX-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)c1ccccc1C1CCC1	2032269759	XPRWXRDUMOTTKD-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CN[C@H](CC1=CCCC1)C(C)(C)C1CCCCC1	2032347980	BUOGKVDGDXWNBU-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC1(C(=O)CC2[C@@H]3CCC[C@@H]23)CCCC1	2032790566	PCKBCIIZBSXYEM-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1[C@H]2CCCC[C@H]21	2032822089	OLVANGWVSOVSRO-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2C[C@H]3CC[C@H](C2)C3)C1	2033102066	YGXFEBAYWKXRIA-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(N)CC(C3CCCC3)C2)C1	2033780833	DCOBFBHPJYJNMU-HOBHPSKFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCC1)C1(CC)CCCC1	2035577404	YQJUYVQLBBJRFQ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1([C@H](N)CC(C2CC2)C2CC2)CCCCCC1	2037189656	JPHDOSPPJCLUHK-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)[C@@H]1CCC2(CCCC2)C1	2037585019	OTYLLYKGTMTBQJ-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C2(N)C[C@@H]3CCCCC[C@H]3C2)C1	2037589994	GXSAUHXUZOPOCV-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)[C@@H]1CC[C@H](C)C1	2037676710	XMSOZGUZTJMNKE-DZGCQCFKSA-N	244.378	4.504	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@H]1C(C)=CCC[C@H]1C	2039439133	XOYRWZIUTUWVGK-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC([C@@H](N)CC2CCC=CCC2)C1	2043008010	YGVINZFFNDBHLT-GPANFISMSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C1CCC(CC)CC1)[C@H]1C=CCCC1	2043188664	VKPKIQPMXOUTIW-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCC(C)(C)CC1)[C@H]1C=CCCC1	2043189365	ALDAIVWENOLUGK-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)CC1[C@H](C)[C@H]1C	2043409137	ZWCQBFUKEHTYFR-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(C[C@H]2CCC=CCCC2)C1	2045318714	XUQAABBWBKWEOK-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2CC[C@H]3C[C@@H]3CC2)C1	2045459761	HEBJUVHRVQRHBD-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CC1[C@@H]2CCCCC[C@@H]12)C1CCCCCC1	2048477325	SBEIOUDVUJVOGO-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@@H](C)c2ccco2)CC1	2049418102	NQTBQVQTSXIZCB-DNDYEEKYSA-N	249.398	4.535	0	10	BJAE	
CC(C)NCC1(C[C@H]2CCCC3(CC3)C2)CCC1	2049847601	CIUSXVBKAWFLAA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@H](O)c2ccc(C)cc2)CC1	2050442235	UKKNWSCIDKSYNS-DQPZFDDXSA-N	246.394	4.635	0	10	BJAE	
Cc1cccc([C@H](N)CC[C@@H]2CCC[C@H](C)C2)c1	2050460259	GVYRMRFMJPEPLE-JLJPHGGASA-N	245.410	4.601	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CC2CC(C(C)C)C2)C1	2056665390	CGHSMKWZYVLLCR-HOJRLLLISA-N	248.410	4.620	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CC1CC(C2CCC2)C1	2056673338	KRCMPSUJHNRXBL-ADNDVJRGSA-N	248.410	4.598	0	10	BJAE	
CC1(CC[C@H](N)c2cccc(C(C)(C)C)c2)CC1	2059177438	JMNCPBJFMFXHLS-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1ccc(C(C)(C)C)cc1	2059223341	LXGXIDMYQGMJDS-SQRWCISFSA-N	246.394	4.764	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)C1(C)CCCC1	2061082151	UBMCUIVJPLZWND-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H]2CCCCC[C@H]2N)CC1	2061149427	CRKKIMFUTAOWMP-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C1CC(=C2CC2)C1	2061651013	RXZYNVNXTSVTGT-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1CC(=C2CC2)C1)NC	2061725206	CETKHGCDWPIURS-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@H](N)CC2C[C@H]3CCC[C@@H]3C2)CCCC1	2063492037	WHYJTKDWSJHSOI-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@H]1C[C@@H]2CCC[C@@H]2C1)c1ccc(N)cc1	2063495254	AQUYBGNFPGQUAF-DARAHFNDSA-N	243.394	4.589	0	10	BJAE	
C[C@]1(C(=O)CC2C[C@@H]3CCC[C@H]3C2)CC=CCC1	2063523428	BPVUFZQAIOPZBA-ZOBUZTSGSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)C[C@H]1CCC=CCCC1	2068271805	ORWYRAXGWHQRPS-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H]2CC23CCCC3)CCC1	2069336010	VDPWMLHWQGXCST-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H](Nc1ccccc1C(C)(C)C)C1CC=CC1	2070793188	DCXBEZNZQKSJBW-CYBMUJFWSA-N	243.394	4.751	0	10	BJAE	
Cc1ccccc1[C@@H](O)CCC1(C(C)C)CCC1	2071902997	BQPKQZDKMVTIRE-INIZCTEOSA-N	246.394	4.635	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CC[C@@H]2C[C@@H]2C)cc1	2072081798	LMUZHXSQRMFHRM-HEHGZKQESA-N	244.378	4.819	0	10	BJAE	
C[C@H]1CC[C@H](CC2(N)C[C@H]3CCCC[C@@H]3C2)CC1	2072794344	SOWAGOZTBPJMML-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC=CC[C@H]2C)CC1	2072805303	AVEQAHFUMNHPHH-RDHHWEPZSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C[C@]12CCCC[C@H]1C2)C1(CC)CC1	2074025541	OZCBNYXPUDIPFV-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@H]2CCCC23CC3)CC1	2074643967	LSZWLWZYTASFTD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)[C@H](C)c2ccccc2)CC1	2074794516	KSDBZNSCCKCQIB-BFYDXBDKSA-N	245.410	4.648	0	10	BJAE	
CCC=C1CCN(C2CCC(C(C)(C)C)CC2)C1	2075229105	ITPPJKWAJDNLOM-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1CCC2(CC1)CC2	2077194792	LGHVXFDOTZICGM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C(=C[C@H]1C[C@@H]1C1CCCCCC1)CN	2079703172	SVQVWUJCEHDCHE-GOEBONIOSA-N	249.442	4.524	0	10	BJAE	
C[C@](N)(C[C@@H]1C[C@@H]1C1CCCCCC1)C1CCC1	2079830423	AZBRSLBLWLFJSB-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2C[C@H]2C2CCCC2)C=CCCC1	2079855352	YVHUBXNWHKPWFD-ZOBUZTSGSA-N	246.394	4.518	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC1(N)CC(C2CCCCC2)C1	2079885106	KBWRPAXPUQMEJI-NJINODPHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C1=C[C@H]2CC[C@H]1C2	2081680687	HVEFDRAGZJIINB-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C2(CC3CC3)CC2)C1	2082984104	YGHHUSOAXOJMIO-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@H](N[C@H]2CCC3(CCCC3)C2)C1(C)C	2084354509	CAVUCTDANBLSQE-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)Cc1ccccc1C	2086044577	OVYVDNVGQBLHIH-WMLDXEAASA-N	248.410	4.505	0	10	BJAE	
CC[C@@H](C)CC(=O)c1oc2ccc(C)cc2c1C	2086604343	VFNKNIBSMMMFIJ-SNVBAGLBSA-N	244.334	4.669	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCCCCCCC2CC2)C1	2213581984	CMIYXRVERRNXRQ-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCC(=O)c1cccc(-c2scc(C)c2C)c1	2213677194	NVXPVSNHMITSHN-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
CC1CCC(C)([C@@H](N)CCCCC2CC2)CC1	2214581738	LKDNEVFYOFQSEY-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C1CCCC1	2214585747	TWFUYDHREVTRMM-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1ccn(C(C2CCCC2)C2CCCC2)c1	2214625391	BXIHGBIHLUXTCR-UHFFFAOYSA-N	231.383	4.718	0	10	BJAE	
CCCC1CCC(O)(CC[C@@H]2C[C@H]2CC)CC1	2215235460	CMRXMXVLVPJNHS-LVDPKSTMSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](O)(CC1(C)CC(C)(C)C1)C(C)(C)C	2215381144	AMTJOTRJMSYKKO-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@@H]1CC[C@H](C)C1	2217125403	PFPBIFWFNGRITO-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1NC[C@@H]1CC=CCC1	2217241649	QJVRGTINEIEJPI-GFCCVEGCSA-N	249.785	4.671	0	10	BJAE	
CC(C)=CC[C@H]1CCCN(CCCC2CCC2)C1	2218171931	HOBQDFDSKKCMKY-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
N[C@@H](C[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCCC1	2218353882	MGUKPFGVUXHCMK-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CCC[C@@H]2CC[C@H]21	2218718978	UAXKNRHCOADKAO-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
NC[C@@]1(CCCCCCC2CC2)CCCC12CC2	2218720215	HCIAFCZIRFHBEO-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C(=O)CCCCC1CC1	2220012981	KLGBNOGRSVNKAT-OFQRWUPVSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C(=O)CCCCC1CC1)c1ccccc1	2220040080	LEIHLENNXJLVQM-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1(C)CC2(CCC2)C1	2221082605	BMCTXCDAGVQAPG-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2221639811	GFPDASWPJIVLHM-AESZEHBQSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H](C)NCC1(C2CC(C)C2)CCC=CCC1	2223602522	SHRCQSHOBAFKFG-HWOWSKLDSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCOc1cccc(Cl)c1	2243040908	WAEJVTRROISRDH-RYUDHWBXSA-N	238.758	4.545	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@H](C)CC(C)(C)C	2244778705	BLHHGBJCRBJUPE-IHRRRGAJSA-N	228.420	4.636	0	10	BJAE	
CC(C)C[C@](C)(O)CC[C@H]1CCCCC12CC2	2246635385	XARGVALMPREEKW-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC[C@@H]1CCC[C@H](C)C1)NC	2246667232	PCVABJYHFJCBKD-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(O)CCCC[C@H]2C)C1	2246691473	IDDYQUVYXXDAMA-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NC(C(C)(C)C)C(C)(C)C	2247754139	CAKBDHODAPLSGH-OLZOCXBDSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CCCCC[C@@H]1C[C@@H]1C	2248809250	RAKSLKZTVDOMHE-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2250380468	HAEASTAWGBZHDS-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(N)C1CCC1	2250482941	XVIOHEOMWDCNMJ-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@@H]1CC[C@@H](C)C1	2250488234	KPRVDWIBWDPKIK-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC)CC[C@]12CCCC[C@@H]1CC2	2251194227	IIVHGJZKDBXZIF-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
C1=C[C@H](Cc2cccc(CC3CC3)c2)CCC1	2251352544	FXGWUUSPHRAHQE-AWEZNQCLSA-N	226.363	4.538	0	10	BJAE	
CCC[C@H](C)CC(=O)C1CC(CC(C)(C)C)C1	2251544982	TZOZGMMYEPZVTQ-HSBZDZAISA-N	238.415	4.844	0	10	BJAE	
CCC(CC)N(C)CC1CC(CC(C)(C)C)C1	2251585504	YYPQBNBANQNCGJ-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C1(CC2CCC2)CC1	2254581086	FZDZWTRLFXHPKM-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)C1CCC2(CC1)CC2	2254583031	SQZNWHZILAPUIE-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	2255022682	FXZUMLMLMDEDLP-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)CC(C)(C)C1CC1	2255046772	AYTCBLCZTYMYCZ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H]1CC[C@H](C)CC1	2255054144	SWIHEQSTKQTEBF-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)CC(N)(CC[C@@H]2CCCC23CC3)C1	2255244745	JQVMBHICHDUCFU-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@]1(C)C=CCCC1	2257305061	SXNOQPDVPUFWMB-INMHGKMJSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CC[C@@H](Oc2cccc3c2CCCC3)C1	2257477310	DABLIQMVCWISRR-CQSZACIVSA-N	244.378	4.523	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@@]23CCC[C@@H]2CC3)C1	2260569575	WWAQOZYYICVUMZ-HNLJFRNMSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C)c1NC[C@]12CCCC[C@@H]1CC2	2260577911	IPBUERVNPCZHOP-NVXWUHKLSA-N	243.394	4.686	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@@]12CCCC[C@H]1CC2	2260588968	VOADEPLLLDRFCQ-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@@]23CCCC[C@H]2CC3)C1	2260605703	PODFRBVAUNYERE-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CCCCCCC1CC1)[C@@H]1CC[C@H](N)C1	2298023351	UFJTYDKPWXCXSL-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC(=O)[C@]12CCCC[C@H]1CC2	2300673113	DECDDEGRFVMKSQ-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
CC(=CC[C@H](O)[C@@H]1CC[C@@H]1C)CCCC(C)C	2300865162	KAJQGRWJFKIBNU-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H]1CCC[C@@H](CC)C1	2300879265	FPORAIQIRFQGJP-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCCCCC2)C[C@H]1O	2301239115	MVYDMAOQJLUHTM-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](C)[C@H](C)C(C)C	2301713171	FEKQJIVUSQCISM-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
CC(C)c1ccc(F)cc1NCCCC1CC1	2301909610	FIAVJACUWKCXAI-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@H]1C(C)(C)C	2303400479	XCLBTQAUKFQIJN-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CCC(CC)C[C@@]1(CNC)CCC(C)=C(C)C1	2303584669	RHHIDKLZFAFAHF-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C[C@H]([C@H](N)CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304432952	ZMKUTPLACUXJEJ-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
c1sc(CCC2CCC2)nc1[C@@H]1CC12CCC2	2304508282	MEMROUPSFACEAN-LBPRGKRZSA-N	247.407	4.533	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@](C)(F)C(C)(C)F	2307651627	FTTDAXFOTHHREK-UONOGXRCSA-N	249.389	4.541	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@@H]1CC[C@@H]2C[C@@H]2C1	2309402388	TZEJCLPSRKXYBM-FZKCQIBNSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CC[C@@]23CCC[C@@H]2C3)C1	2310379836	IOVICUVPMUWQLQ-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(C[C@@H]2C[C@H]2C2CCCCC2)CCCCCN1	2311564519	DJSOHCGYJZVOCA-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@H]1C[C@@H]2CC[C@H]1C2)C1CCCC1	2312916541	YQIUHYVPMIIJTG-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313342853	TYFRMDMDSUDMAL-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2313661425	WFYRQPOMVNSDBG-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@H]1CCC[C@@H]2C[C@H]12	2316537558	SLADLOWMHSPRLW-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316882489	ZMTSXOYSIZUZHK-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCC1CC1)C(CC1CC1)CC1CC1	2318872357	BFGMTUYPIKNODD-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1[C@@H](N)CC1CCC=CCC1	2320219695	OFMWZKJNEHNSTI-OAGGEKHMSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CCC(=O)c1ccccc1	2320240793	OROYKXGNZLEHTQ-UKRRQHHQSA-N	244.378	4.722	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)Cc1cccc(C(C)C)c1	2320623685	OZUMQICBANRVBX-PBHICJAKSA-N	247.426	4.506	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2CCC23CCC3)C1	2321636466	IXPVWMAMVDVJJY-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@@H](C)CC(C)C)c1	2327708709	RKYPWIBTGWNHOA-YOEHRIQHSA-N	248.410	4.834	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@H](C)CC[C@H]2C(C)C)c1	21813039	LSRYAAWAMYNPIV-PVAVHDDUSA-N	245.410	4.868	0	10	BJAE	
C[C@@H](Nc1ccccc1C(C)(C)C)c1ccco1	36956601	ZMWGCYRKAFWDJY-GFCCVEGCSA-N	243.350	4.750	0	10	BJAE	
CCCC[C@H](C)N[C@@H](CC(C)C)c1ccccc1	37295187	KIBIMVAXRSBHJZ-RDJZCZTQSA-N	247.426	4.942	0	10	BJAE	
C[C@H](Nc1ccc(Cl)c(Cl)c1)C1(C)CC1	37467796	RTNAPBUYLCNQSJ-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
C[C@H](Nc1cccc(C(F)(F)F)c1)C(C)(C)C	59042829	BYPMOTOUCVQSGA-VIFPVBQESA-N	245.288	4.552	0	10	BJAE	
CC(C)c1ccccc1NC(=N)C1CCCCC1	62988684	UXNLZYFRYOYZAM-UHFFFAOYSA-N	244.382	4.779	0	10	BJAE	
CCCC1CCC(N)(CCC(C)(C)C)CC1	71084865	XOKCGNLOZGRYSR-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCSc1ccccc1N[C@@H](CC)C(C)C	71104728	KNDHMQAUQMIDFW-LBPRGKRZSA-N	237.412	4.645	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@@H](C)CCCCN	71562555	ZGYZFKCUHRPOPH-ZDUSSCGKSA-N	247.426	4.525	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(O)CCC(C)(C)CC1	79657234	MIGZQQMFHBXVMJ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC)NC/C=C/c1ccccc1	83374561	QLWFXIZHQCLRQB-JIIJFUIFSA-N	245.410	4.648	0	10	BJAE	
CCCCCCN[C@H]1CCC[C@@H](CC)CC1	83435171	LNWNEZHPQKFVOT-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CSC(C)(C)C	83490116	HYXZPWOQLQTDQA-LBPRGKRZSA-N	244.444	4.694	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2ccc(C)c(C)c2)C1	87984616	HWKXRSFVYMMTFV-LSDHHAIUSA-N	244.378	4.703	0	10	BJAE	
Cc1cccc([C@H](C)N[C@H]2CCCCC2(C)C)c1	94323005	LBTQSNRVNXDIJU-HOCLYGCPSA-N	245.410	4.614	0	10	BJAE	
CCCCC1CCC(CNC)([C@H](C)CC)CC1	94678077	WVWHPBJKTLEISL-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(C(F)(F)F)cc1	110385212	ZZKMGDWLCNRUHU-LLVKDONJSA-N	245.288	4.696	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@H](C)C(C)(C)C)cc1	111649101	PAJNXUXGRMEUDR-BBRMVZONSA-N	247.426	4.882	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CCC1CCCC1	125076566	KFWOMAZALGKART-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
C[C@H](C[C@H](N)c1cc2ccccc2o1)C(C)(C)C	128166342	CFQODAJOQZHGBD-YPMHNXCESA-N	245.366	4.505	0	10	BJAE	
CCN[C@H]1CC[C@@H](C)c2ccc(C(C)(C)C)cc21	136927796	WDSGSJZUXVTKPR-WBMJQRKESA-N	245.410	4.532	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H](C)C2CCCCC2)CC1	149410694	HTLVSKJPKOQODG-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@@H]1CCCCC[C@@H]1CNC(C)C	155821800	JWDKOBORCSTDFS-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC/C=C(\CC)c1cc2ccccc2[nH]1	163254573	GJTFYLXUKPLSNX-XYOKQWHBSA-N	213.324	4.761	0	10	BJAE	
CC(C)CCC[C@H](O)c1ccc2ccccc2c1	165606689	ZMBZOWXMJDKGOK-KRWDZBQOSA-N	242.362	4.700	0	10	BJAE	
C=CC1CCC([C@@H]2CC[C@H](CCC)OC2)CC1	167574851	KOGGTTQFNUDWMT-FJBKBRRZSA-N	236.399	4.574	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CCC2CCCC2)C1	169184586	GYHQNRMGQNMKCJ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCCCCc1cc(Cl)ccc1C	205663009	UZFSKVQPTYHBNI-UHFFFAOYSA-N	210.748	4.771	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)C[C@@H](C)CC[C@@H]1C	222354926	FCPDBJIULLPERS-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@H]1CCCCC1(C)C	226819201	VBUHRMGQONQLRF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)[C@@H]2CCC[C@@H](C)C2)C1	226989343	YEKMKDASFUDEHD-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H](C)CN[C@@H]1CC[C@@H](C)c2ccccc21	228130807	HKWWSDWXHKGSOT-JKIFEVAISA-N	245.410	4.507	0	10	BJAE	
CCN[C@H](C)c1cc2cc([C@@H](C)CC)ccc2o1	232359509	TWEGVFYDBJKYKR-NWDGAFQWSA-N	245.366	4.617	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc2nc(C)sc2c1	233285518	OFBKBGMFBAVSSN-LLVKDONJSA-N	248.395	4.595	0	10	BJAE	
Fc1ccccc1-c1cc2c(Cl)cccc2o1	247522588	MAKNVGZRYWNKPI-UHFFFAOYSA-N	246.668	4.892	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC[C@H]1CC)C1CCCCC1	252957203	SGTXFBSPPUYQLM-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)c1ccc(C(F)(F)C2CC2)cc1	258952584	FGDVLNLYETUJRF-JTQLQIEISA-N	224.294	4.702	0	10	BJAE	
Cc1csc(-c2cc(C(C)(C)C)ccc2C)n1	259414314	UTHISSZMYVIBNE-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
CCc1cc(Cl)cc(C2(C#N)CCCCC2)c1	260288106	CVTJAXKJOAYQME-UHFFFAOYSA-N	247.769	4.628	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H]1CCCC1(C)C	300288508	SZAKSMVOZKDZAK-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@H](C)CC(C)C	300847751	DWTCGXICJJEQLU-LLVKDONJSA-N	239.790	4.743	0	10	BJAE	
Cc1ccc([C@@](C)(O)CCCC(C)(C)C)cc1C	302309386	OOHNBSPXPPBVAK-KRWDZBQOSA-N	248.410	4.727	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCCC(C)C	308103367	HOYTYVZXZPXECW-AWEZNQCLSA-N	226.404	4.844	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1CCC(C)CC1	310313209	FEMLLOPSEVJIHI-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C[C@@H](N)CCC(C)(C)C)C1CCCCC1	310340932	NZBWLRDSPSUETK-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](O)(C[C@H](C)C1CCCCC1)C1CC1	310590065	YSIALRLIKRFJHG-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCCC12CCCCC2	313003019	AFXWIOWFJQOLSH-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCCC1(CNC2CC2)CCC(CC)CC1	318174664	JIFQOQDNPDQRKM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)cc1C)C1CCC1	322343244	CVWOZTIUDKHCOZ-MRXNPFEDSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C1CC1)C(C)(C)C	323950615	CWONVFJAOCHEGR-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H]1CC[C@H](CC)CC1	328242489	ITDSGOHXXGJGCF-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
C[C@@H](CCCC(C)(C)C)[C@@H](C)CNC(C)(C)C	379626230	GQMMUMQYUCXEFV-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](CC)c1cccc(C)c1	380591462	DKCQGMDCHSJQPX-YOEHRIQHSA-N	247.426	4.860	0	10	BJAE	
CCCN[C@H](c1ccccc1CC)C(C)(C)CC	381194674	ZKCLDBVQUMKQRD-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@](O)(CCC2CCCCC2)C1	383134397	XJTOKXVRUYNDLO-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](O)CCCCCC(C)C)C1	383229241	TXGLTZPEYNSXAK-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CCC1(Cn2c(C)cc3ccccc32)CCC1	383683686	PIXUPMZMFJQIQY-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCN[C@@H](CC(C)C)C[C@H](C)C1CCCCC1	383963897	HYFIAVKSQICVFT-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC[C@@H](C)c1ccccc1)CNC(C)(C)C	384842247	ZVJKIFDBLBLUDA-HUUCEWRRSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H](Nc1ccc(F)cc1C)C1CCCC1	387622501	RAOYVCBJMVFVSF-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H]1CCCC(C)(C)CC1	388924663	SHSKDCMWAUBPTD-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CCC)c1ccccc1C(C)C	393864758	SAGYGBHNGBTUJT-INIZCTEOSA-N	233.399	4.651	0	10	BJAE	
CCc1c(C)sc2cc(C(F)F)ccc12	396198695	KRNLHVOVXSJBPB-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1ccc2c(S)csc2c1C(F)F	396231611	ARLNLFAVYSSKQA-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CSc1ccc2c(C(F)F)c(F)sc2c1	396261001	ZMRJYUDIWMBWDL-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@H](C)C(C)(C)C	399255516	GWKNCROKQMZDQR-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC1(C)[C@H]2CC[C@H](Nc3ccc(Cl)cc3)[C@H]1C2	400420538	ODEIKEVAMDGUTP-GDLCADMTSA-N	249.785	4.577	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CCC(C)(C)C2CC2)c1	406094929	FFMKGOXOTXSOMB-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CC(C)CC(CC(C)C)NCCCC1CCC1	688991712	FBADYRIAYWUJAF-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
Cc1cscc1N[C@@H](C)CC1CCCCC1	689780044	XMYPYMDQUOIXAY-LBPRGKRZSA-N	237.412	4.827	0	10	BJAE	
C1=C[C@@H](Nc2cccc(C3CC3)c2)CCCCC1	690112664	HZVQUKYJOLIYKT-MRXNPFEDSA-N	241.378	4.865	0	10	BJAE	
CC(C)(CCC1=CCCC1)CC(F)(F)F	694133794	TZFQAELUPBXDAY-UHFFFAOYSA-N	220.278	4.856	0	10	BJAE	
CCCC1CCC(N[C@H](C)C(C)(C)CC)CC1	695097212	FNXKVHDPHJYRIR-WLYUNCDWSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H]1CCCC(C)(C)CC1	695100651	SYYILFBSPGUXGD-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CCCC3(CC3)C2)c(C)s1	695951469	AVCHWZUQDAWEIN-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
Clc1cccc(N[C@@H]2CCCC[C@H]2C2CC2)c1	696050719	QEGJNHVXJVPUCK-LSDHHAIUSA-N	249.785	4.721	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC[C@@H]1C1CC1)C1CCC1	696065787	WVJCPSBRJCWYTF-IXDOHACOSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)c1ccc(C)cc1	696592297	HFJNNEGJTXGDNK-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CC(C)=CCC[C@H]1CCCCC[C@@H]1CNC1CC1	697773480	GOESWWUHTVEVNT-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](NCCC1(C)CC1)c1ccccc1	698060156	HSVITOUBANDXEJ-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CCCc1ccccc1O[C@H]1CCC[C@H](CC)C1	699505853	HKLYVULBAJOERQ-HOCLYGCPSA-N	246.394	4.987	0	10	BJAE	
CCCC1CCC([C@@H](O)C(C)(CC)CC)CC1	701113630	BOYPCDAHCUGFIE-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@@]1(C)C[C@H]1C	704333571	FXNUOLKMRRWJQQ-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@](CC)(CNCC)CC(F)(F)CC	704721212	YYCNMPINXINKBM-ZDUSSCGKSA-N	249.389	4.618	0	10	BJAE	
C[C@@H](N[C@@H](C1CCC1)C1CC1)C1CCCCCC1	705343301	MJDPKKNXDUEMKY-DYVFJYSZSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](c1cc(C)c(C)cc1C)[C@@H](C)CC(C)C	708297791	PGKFDPBMDQOLOQ-RDJZCZTQSA-N	247.426	4.555	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)C[C@H](C)C1CCCCC1	708322660	AYMWKLQIDPVDBE-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](CNC(C)(C)C)C[C@@H](C)CC(C)(C)C	709121177	DJUBFZDWGUIOPR-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCC1CCC(NC[C@@H](C)CC(C)(C)C)CC1	709122436	IYOWLMKOMPQOCQ-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H](C)c1ccccc1)CC(C)(C)C	709127399	QKDNKVHJURJRRN-IJEWVQPXSA-N	247.426	4.580	0	10	BJAE	
C[C@@H](CNCC(C)(C)C(C)(C)C)CC(C)(C)C	709140626	GTOFBDMUBMOBGD-CYBMUJFWSA-N	241.463	4.721	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@@H](C)CC(C)(C)C)C1	709188091	NCNMEDIOZKQMGA-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CC[C@@](C)(C[C@H](C)CC(C)(C)C)C1	709195326	ZSKUGBIKSIXUKR-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CCC[C@H](C)C(C)(C)C)NCC	711220206	VTLMKHOYUUMIRN-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)C[C@]1(N)CCC[C@@H](C(C)(C)C)CC1	713181870	KAGKATVUFHGMNY-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CC[C@H](NCC)[C@H](CC(C)(C)C)C1	713251705	ZPLFHYHIHYSYEQ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
O=C(C1CCCCC1)[C@@H]1CCC[C@H]2CCCC[C@H]21	714432746	GGWMUUOELVGCHJ-FVQBIDKESA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc(NCCCCC2CC2)cc1	720139282	VUMUEHVTIIUHSR-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
C[C@H]1C[C@@H](NC[C@H]2CCC=CCCC2)CC[C@H]1C	1179764143	NNZUHDRIGSGRJP-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@H](C)NCc1ccc(C)c(C)c1	1560479103	WLQXDQTVLLYAMS-INIZCTEOSA-N	245.410	4.528	0	10	BJAE	
CCC(CC)c1cc(Cl)c(O)cc1Cl	1889480913	JRPJXQYNAMRINH-UHFFFAOYSA-N	233.138	4.603	0	10	BJAE	
CC(C)=CCc1cc(F)c(Cl)c(Cl)c1	1893699929	YRCMQYAQNWAQGX-UHFFFAOYSA-N	233.113	4.641	0	10	BJAE	
CCCC[C@](N)(CC)CC1CCCCCC1	1901062549	CVWNXDOSRNNXLG-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
Cc1ccc(-c2nc([C@@H]3CC3(C)C)cs2)s1	1901911773	JDVSGEMIOMJJNB-VIFPVBQESA-N	249.404	4.694	0	10	BJAE	
CCc1cscc1NC[C@H]1CC[C@H](C)CC1	1902376230	FSPIWYHGCAWXNB-HAQNSBGRSA-N	237.412	4.549	0	10	BJAE	
CCc1cscc1-c1nc([C@H]2C[C@H]2C)cs1	1905272480	SLZLSYMATQQNPN-SCZZXKLOSA-N	249.404	4.557	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CC[C@@H]1CC1(C)C	1905433985	IWGUIRPQAPXGFI-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CC1(O)CCC(CC)(CC)CC1	1907005905	PAUOJVUKNCSGQS-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)CCC1CCCCC1	1908577549	KECFMWVVGHLBBY-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CCC=Cc1ccccc1	1912120260	OCYRQJNULLIVJW-DOTOQJQBSA-N	245.410	4.634	0	10	BJAE	
CCC(CC)C[C@H]1CCCCCCCC[C@H]1N	1913405804	VIFAYFPNJOFBJG-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
Fc1ccccc1N[C@H]1CCC2(CCCCC2)C1	1915869379	QLCWGMVBVVWKGS-ZDUSSCGKSA-N	247.357	4.741	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H]1CCC2(CCCC2)C1	1916432198	YSNJBUTXWLMJTI-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCCCC[C@@](C)(N)c1ccc(C(C)C)cc1	1920437387	ZCXICUSPPKSUAU-MRXNPFEDSA-N	233.399	4.564	0	10	BJAE	
C[C@@H](CN[C@@H]1CCCC12CCC2)C1CCCCC1	1921499736	RYYXWRFUBRVWNK-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC[C@H]1CC1(C)C)CC1=CCCCC1	1921566253	ZPKFGKDYMUQPPC-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@H](C)C1CCCC1	1924126072	PKJMTUZBALZWPL-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]21	1925738702	XCKMCQUNOPFVPS-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2C=CCCCC2)C1	1925768876	MESNVSJIYWIORV-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1C[C@H](NC[C@H]2C=CCCCC2)CC(C)(C)C1	1925916557	HERROTUDLNTVEX-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cc(Cl)sc1C	1933590364	WXAQGOXRZTXKTN-NSHDSACASA-N	246.803	4.570	0	10	BJAE	
CCCN[C@H](CCC1(C)CCCCC1)C(C)C	1940414423	JFBZPWFZGRCDAT-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C[C@H](O)CCCC1(C)CC1)C(C)(C)C	1940869957	PJBAVQKPXXAFBS-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1ccc(C(C)C)cc1	1941244799	ZZWSZTWMKLCMOI-JKSUJKDBSA-N	234.383	4.526	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](CCCCCC1CC1)NC	1941591777	NYDYVJJCJQKKED-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(O)(C[C@H]2CCC[C@H]2C)CC1	1944869359	SUXSUAKMEXRUOS-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(NCCCC2CCCCC2)CCC1	1945293179	KDFWTADTVHQSHU-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@H](N)CC1CCC(C(C)(C)C)CC1	1946686657	PYVPHPBQEDENBH-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC(C)(C)F)NCC	1947085193	WXCGPTOPEFLNDH-ZIAGYGMSSA-N	245.426	4.709	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](CC)C[C@H](C)CC	1947448453	HOXMIZSDSAIKSW-WCVJEAGWSA-N	239.447	4.760	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(O)CC1(C)CCCCC1	1947521793	DXWCANHUCPQUGS-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)[C@H](C)CC(C)C	1948333477	SBFNWPZYLXJABP-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@](C)(N)C1CCCCC1	1949056543	XOSNHCXENRRZTK-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1C(C)=CCC[C@@H]1C	1950968571	LRWCGGLYBMYEGY-SOUVJXGZSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCC[C@@H](C(C)C)C1	1963229062	OZKGFBMYOPRHCD-OWCLPIDISA-N	239.447	4.760	0	10	BJAE	
C[C@H](c1ccccc1)N(C)CCC(C)(C)C1CC1	1967661209	ZQTSJNAFJMVMBE-CQSZACIVSA-N	245.410	4.506	0	10	BJAE	
CC(C)CCN(CCCC1CC1)CCC(C)C	1968282151	BTSZYXBLCKVTLE-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCc1ccccc1NC1CCC2(CCC2)CC1	1968360360	PVKRXRPEHZTIBN-UHFFFAOYSA-N	243.394	4.774	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CCC[C@H]1C	1968598406	XTCMGIDVKIEVLN-DOMZBBRYSA-N	231.383	4.719	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CN[C@@H]1CCCC2(CCC2)C1	1969018778	QIRQYLCPJFGOMO-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NCc1ccccc1C(C)(C)C)C(C)C	1970464731	HIKBQGAPNUBJIO-MRXNPFEDSA-N	247.426	4.508	0	10	BJAE	
FC1(F)CCC[C@@H](CC2CC(=C3CC3)C2)C1	1985530143	CUOZPZVTZKBSOP-JTQLQIEISA-N	226.310	4.702	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](CC)C1CCC1	1990089882	RFQULCBLYBJASM-GJZGRUSLSA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@@H](CC[C@@H](C)C(F)F)NCC	1996088927	HJQPILWMBRIIMR-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCC(C)(C)[C@@H](N)[C@@H]1CCC2(CCCC2)C1	1996612652	ZIFIWVKYKPQUTO-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](NC)C(C)(C)CC)CC1	1997104179	JCVHGXCWVMIEPB-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CC[C@@H]2CC)cc1	1998750851	BNUDSLWISUKKBZ-XEZPLFJOSA-N	231.383	4.801	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@H]1CCC=CCCC1	1999992197	FJKQNWCFEAFKFN-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)C(CC)(CC)CC	2000375700	FXLBLMKTBYVYFD-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CCC=C(C)C)CNCC(C)C	2000499671	MSQNNXJBAIYJOI-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1	2000834247	PZFZOZNHJDRJHU-ITGUQSILSA-N	249.785	4.639	0	10	BJAE	
CCCC[C@H](C[C@H]1CC12CCCCC2)NCC	2001218799	YBIYWKLFLGPACZ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@]1(C)CCCCC1(F)F	2002596771	UFEQHVXSZUIOPQ-AAEUAGOBSA-N	246.341	4.597	0	10	BJAE	
C[C@@H](C[C@H]1CCCCCCC1=O)CC(C)(C)C	2003120563	ZXLAHZSTCKKFRZ-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC1(C[C@H](O)CCC[C@@H]2CC2(C)C)CCCC1	2003179037	KCIUTKUKVQRONX-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)[C@]1(C)C=CCCC1	2003319942	DLDKYEVVTCPQSN-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CCC[C@H](N)c1cccc(C)c1	2003648249	VWMYIWQQLFRZJV-HNNXBMFYSA-N	233.399	4.601	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCCC[C@H]2C)CC1	2004343025	YHBOTEZVFRLAGD-CIDNJEQPSA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC(N[C@@H](C)C2(C)CCC2)CC1	2004834025	MNASDZGFRYMSGO-NFOMZHRRSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC([C@H](N)C2(C)CCCCCCC2)C1	2004922992	MFDZGSUSHKIULA-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC1=C[C@H](N[C@H](C)c2cc(C)sc2C)CCC1	2006903544	AIJVSSARKZNTPH-TZMCWYRMSA-N	249.423	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)=C(C)[C@H]1O	2006913757	QTAPMANBCIEYPB-HRCADAONSA-N	238.415	4.700	0	10	BJAE	
CCCC1CCC([C@H](O)CCC2(C)CC2)CC1	2009549800	WXCLMYNQXBGOQJ-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@H]1C[C@H](C(C)(C)C)CCC1=O	2009575373	ZFYDTEGKUPFNMO-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@]1(C)CC1(C)C	2009598547	PBIOJXBJUCICES-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCC1(N)CC(C)(C)CC(C)(C)C1	2009628336	NEBHPSVAAJVHKM-VOTSOKGWSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@H](NC)C1(C)CCC(C)CC1	2009633842	CBCVLPBUXPYBBF-NYQCTANPSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H](C)CC(C)C	2009635931	SAIGULKYIGKXQY-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCCC1CC(N[C@H]2CCCC(C)(C)CC2)C1	2009716309	REEGQQDEZFRJSK-SLTAFYQDSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)c2cc(C)sc2C)CC1	2010730057	USJBRODFSJOZIX-IUODEOHRSA-N	249.423	4.501	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@H]1C)CCC(C)C	2011576872	NHQZNMWKMOOXQT-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C)c1cscc1C1=CC[C@@H](C)CC1	2013604630	OXFVHRMWMZVGJN-NEPJUHHUSA-N	249.423	4.622	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)[C@H]1CCC1(C)C	2014883170	VEVRHFNGPWXNMJ-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](O)c1cc2ccccc2s1	2015278307	NBLRQWQOMSGACG-WCQYABFASA-N	248.391	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2(CC(C)C)CC2)C1	2015743885	WWNCQASYBUBMGD-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C1(CC(C)C)CC1	2015754473	FEERWSJRFBFDOL-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](NC)C1(C(C)(C)C)CCC1	2017131702	UCSKUSHZZDFXFM-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H]1CC[C@H](C)CC1	2017650758	LBXMIXMWDUTNBO-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C2CC(C)(C)C2)CC1	2017656163	UVYDVIXJVCFPRV-JOCQHMNTSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(Cn2c(C)ccc2C)CC1	2017662240	IPSZGLFXHIKKHS-UHFFFAOYSA-N	233.399	4.711	0	10	BJAE	
CCCC1CCC(C[C@H](C)[C@@H](N)C(C)C)CC1	2017732972	GKPCVLKKWWODIP-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C2(C)CC=CC2)CC1	2017772919	SZOLHKWBEVDDGR-HDJSIYSDSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C[C@@H]2C[C@@H]2C)CC1	2017775684	FIZBJNXLHWVIRI-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC[C@](C)(NCC2(C)CCCCCC2)C1	2017869568	VBWKHRAQPJCGAO-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)C2CCC(C)(C)CC2)CC1	2018914888	BQSKYQPHHWDAOF-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@](O)(CCC(C)C)C2CC2)CC1	2018981388	YJDGECJROJANMS-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@H]1CCCC(C)(C)[C@@H]1NCC	2020364504	RABSEFRNDBEEDW-SJKUQHEZSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@H](CC1CCCCC1)NCCC	2020969757	RNCSPHXOTKOBQR-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1CCC(C)(C)C1	2020970322	BDXIZJPTUWMCDA-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCNc1ccccc1C1CC1	2021026832	GVZDADUIOBGNSI-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC(F)F)NCCC	2023129045	FCUBLLWGRVRTOO-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC(C)CC(=O)CC1CC(C)(C)CC(C)(C)C1	2024090848	CAFYDQATZXECEQ-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@@H]1CCCC(C)(C)C1	2024118806	OTGVJRDQMGPSDI-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC1(C)CCCC1	2026166768	MGMUBWWVNPSLDU-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CC(C)Cc1csc([C@@H]2C[C@@H]3CCCC[C@H]32)n1	2026523889	DHVWQHZQDPYQIV-IACUBPJLSA-N	249.423	4.635	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H]1CCCC[C@@H]1C1CC1	2027023438	GJNTWHGBUBTJQQ-SJORKVTESA-N	249.442	4.633	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@@]12CCCC[C@H]1C2	2027841585	ANGPSJXCAHPUAN-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](c1ccc(C2CC2)cc1)[C@@H](C)CC(C)C	2028596243	DJPWVWBEFISXDW-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)C1(C)CC(C)C1	2029105239	OGADKAKPFFPSRI-PWZRNIHTSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)C1(C)CC(C)(C)C1	2029111825	LAZNHPXDWHWKSZ-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@H](CNC2CC2)C2CCC2)CCCCC1	2029225718	OKCVSVZQKVZMOY-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H](C)CCC(C)C)c(C)c1	2029835074	CTNRBNQHDXWHPY-ZDUSSCGKSA-N	246.394	4.867	0	10	BJAE	
CCC(CC)C(=O)c1ccc(C2CCCC2)cc1	2031743028	ATZCRAQMHRFIMZ-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC(C2CC2)C2CC2)C1	2032150100	BVIYIEWLPRANAA-WFASDCNBSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(F)cc1C(=O)C(C)(C)C1CCCC1	2032297839	WCYKJEXNIDCKNJ-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CN[C@H](CCCCCC1CC1)c1c(C)coc1C	2035532819	QZXRDDMIKFQKOK-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
C1=C(CNC2CCCCCCCCC2)CCCC1	2035887389	URICDGZMRODVBD-UHFFFAOYSA-N	249.442	4.970	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C[C@H]1C[C@H]2C=C[C@H]1CC2	2037159053	IKVAZSBRINYKAU-LJIGWXMPSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](CC[C@H]1CCC(C)(C)C1)c1ccccc1	2037697672	IUHYEVXSYKGRDK-HOCLYGCPSA-N	245.410	4.554	0	10	BJAE	
CC[C@H](C(=O)c1ccc(CC2CC2)cc1)C(C)C	2040736124	UGBAHNYTEKYMSO-INIZCTEOSA-N	244.378	4.504	0	10	BJAE	
N[C@@]1(C[C@H]2C=CCCCC2)CCCC2(CCC2)C1	2041293031	LYEBTCPPACKXND-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CCCc1ccc(C(=O)C2(C(C)C)CCC2)cc1	2045571612	YLEGGBOONAVTRM-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C[C@@H]1C=CCCC1	2045811817	AHKJUTNXCXRPMG-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@H](C)c1ccccc1	2045979074	NJOHLQNUPBGLOG-DOTOQJQBSA-N	247.426	4.726	0	10	BJAE	
CCC[C@](C)(CNC1CC1)[C@@H]1C=CCCCCC1	2045993241	PBPFMIQYHPYNQB-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)C[C@@H]1CC12CCCCC2	2047013149	SZBSDRJMJJUVIA-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@@H]1CC12CCCC2	2047015211	HIRIPMVKZNLHFJ-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H]1CC12CCCCC2)C1(C)CCC1	2047021810	ZEHFCXBETKJLAO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@H]1[C@H]2CCCC[C@H]21)CC1CCCCC1	2048491222	BPOLIVHRWZDCHS-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](Nc1ccccc1F)[C@@H]1CCCC(C)(C)C1	2049528041	GTSKQNJNRFXBRV-CHWSQXEVSA-N	249.373	4.843	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@H]1CCCC2(CC2)C1	2049865091	LHGYFOHXKAINKQ-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C[C@@H](C)CCC(C)C)c1ccccc1C	2050460601	KPXKZNGPNZPHBX-WMLDXEAASA-N	247.426	4.718	0	10	BJAE	
CC1(C)CCCCN(C[C@@H]2CCC=CCCC2)C1	2051369840	PKPAFQIFTPWMGZ-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CCC1(C)CCC(NC[C@H]2CCC23CCC3)CC1	2051598643	JGSBSSIWNZKMSE-QQFBHYJXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2C[C@@H]3C[C@@H]3C2)cc1	2052132835	ZOJARDKFTIDFAU-DARAHFNDSA-N	243.394	4.658	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC12CC2)C1CCCCCC1	2053316685	VYSMVUQBUYBQTE-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@@H]1CCCCC12CC2	2053420923	OAXHAHOEAVJRFP-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(CN[C@@H]2C=CCCC2(C)C)CCCCCC1	2055535859	KZIKRKMJOLAJAN-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC=C[C@]1(N)C1CCC(C(C)(C)C)CC1	2055567566	YTIJHWKPBXPXQG-PBMMVSLJSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H]1CCC[C@H]1C(C)C	2056452751	RRRVWPSSTBHWNG-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CC1(C)CCCC1	2056875979	MCZMYGJIFJZGJV-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CC[C@H]2C[C@@H]2C1	2059255453	HXJPBWJOSZFTEW-JVFQJLMCSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@]1(CNCCC)CCCC12CC2	2059258686	IVHDYQSQFGKAGA-NJELEJDNSA-N	249.442	4.683	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)C2(C)CCCCC2)CC1	2061093038	VDAOETKOOHMTCL-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@](C)(N)CC2CCCC2)CC1	2061114024	UUSMPRODCPGHDB-WBVHZDCISA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(N)C2CCC(C)CC2)CC1	2061115508	IBHDFPPLBLPFGB-BJDYSFLHSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(N)[C@@H]2CCC[C@@H](C)C2)CC1	2061117489	ZFGOHFXTHRXIOP-MUIFIZLQSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1CC2(C1)CC21CC1	2064130042	JCDJZYAAAZUECF-CBCUQQMYSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc(N[C@H](C)C2CC3(CC3)C2)cc1	2064498718	VLIVEYNZKQKZKY-CYBMUJFWSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cc(OC)ccc1C	2065989429	CSHXXDYALUEFOT-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)C)c1cccc(C2CC2)c1	2068819690	OKRGNNRKHDAZJY-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
Cc1ccccc1[C@H](N)CCC(C(C)C)C(C)C	2068993753	DKQDDGVMXFATQU-QGZVFWFLSA-N	247.426	4.703	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)C1(CC2CCC2)CC1	2069565913	FEMDWFVFQUDLTG-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccc2[nH]ccc2c1	2070396792	DASKYEWRVMGZPM-ZDUSSCGKSA-N	242.366	4.715	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H]1CC12CCCCC2	2072422673	FCJCEEZAGSSFCQ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CC[C@@H]2C2CCC2)CC1	2072806418	LTMNXAVBIBOMOC-MMADZMRASA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCCNC23CC3)CC1	2072816701	XIOXEGJFSYPXGM-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(C)C2CCNCC2)CC1	2072821393	LNTQDMWDBYUORH-WKILWMFISA-N	249.442	4.539	0	10	BJAE	
CC(C)(NC[C@]12CCCC[C@H]1C2)C1CCCCC1	2074047257	PMCFLBBXSHUDFC-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccc(O[C@@H]2C=CCCCC2)cc1	2075408802	RMPBJLYEKWHENL-OAHLLOKOSA-N	244.378	4.862	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1C[C@@H]2CCC[C@H]2C1	2077198264	ZKYZZJIYZNNSNZ-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C[C@H](Nc1ccccc1C1CC1)C1(C)CCCC1	2077262194	OCBLICVONFVCTA-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
CCC[C@H](Nc1ccc(F)cc1CC)C1CCC1	2081945619	XSVARSOMCLGJJW-HNNXBMFYSA-N	249.373	4.769	0	10	BJAE	
Cc1cc(Cl)c(C[C@H]2C=CCCC2)cc1F	2210107472	CKDWOBPGRKFFIV-NSHDSACASA-N	238.733	4.686	0	10	BJAE	
CC(C)(C)[C@@](C)(N)CCCCCCC1CC1	2210525236	NPADRICLRKYUOM-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
Cc1csc(CC2CC(=C3CCC3)C2)c1C	2210553181	NHDRAAWWWXPBJA-UHFFFAOYSA-N	232.392	4.798	0	10	BJAE	
CCCCCC[C@@](C)(N)c1scc(C)c1C	2210555448	KOGNKFFIWFCCEE-CQSZACIVSA-N	239.428	4.509	0	10	BJAE	
C[C@@](O)(CCCCCCC1CC1)CCC1CC1	2213580656	NHYBMNRPBPNGDW-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@H](N(C)CCCCCCC1CC1)C(C)(C)C	2213582628	JWIMQOCOYKGMKF-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@](N)(CCCCC1CC1)[C@@H]1CC1(C)C	2214565330	MCLREGGMZBOHBL-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC1([C@](C)(N)CCCCC2CC2)CCCCC1	2214583422	QICMMKXHTJEWCZ-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC1(CC)CCC(O)(CC[C@H]2C[C@H]2C)CC1	2215279378	BCEMFRWWFGDMAK-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1C[C@H]1CCOc1ccc(C(C)C)cc1	2215346253	OYWJMUKZOXOROS-DZGCQCFKSA-N	232.367	4.625	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CC[C@H]1C[C@H]1CC	2215366570	XOIMVMYKLAFVKX-PMPSAXMXSA-N	239.447	4.569	0	10	BJAE	
CC1(C[C@]2(O)CCC[C@H](C(C)(C)C)C2)CCC1	2216247184	JUTIBRHVKVFQDH-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1=O	2218335298	UZWZLMLKNWSPMN-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218384475	DWGNHYALGYYINY-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](O)(CCCCC1CC1)c1ccccc1	2220027916	MUUPUBOZNUGBBJ-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@](N)(CCCCC1CC1)C2	2220042307	SMILTQWCDROYNV-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(N)CCCC[C@H]2C2CC2)C1	2221027574	HTWURUKFLXVBJY-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(NC[C@@H](C)C2CCCCC2)CC1	2221600827	KWWCOMOTUNNTPW-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@H](CNC[C@H]2CCCC(C)(C)C2)CC1	2221631721	OEAUXBZDTKLGSM-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC1(C[C@](C)(CNC2CCC2)C2CC2)CCCC1	2223548722	QPSNXESVMVCSLP-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@]1(CNC2CCC2)C[C@H]2CC[C@H]1C2	2223562203	UICQLISFSPSJLL-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](O)CCC[C@@H]1CCC[C@H](C)C1	2242809941	ASQFEEMRNJNTDK-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)c1cccs1	2243030347	KWZMBCTZJJLSNW-NWDGAFQWSA-N	236.380	4.537	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@H](C)CC(C)(C)C	2244800934	PDZYBGGEUOYKFL-MELADBBJSA-N	227.436	4.602	0	10	BJAE	
CCCN(CC[C@@H]1CCC[C@H](C)C1)C(C)(C)C	2246661075	VUDJUINHTICBFG-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CCCC[C@H]1C[C@@H]1C	2247115355	VMKIBCLPYAYAQH-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)c1csc(C2CC2)c1	2248074152	MITXSYYMTDWIPT-LLVKDONJSA-N	246.375	4.555	0	10	BJAE	
CCC(C)(C)[C@H](CCCCC[C@@H]1C[C@@H]1C)NC	2248805715	CMHMHIAKSLSXCS-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
Cc1cc2nc(Cl)c(C(C)C)cc2c(C)c1C	2249485660	FHZLLOCESAGYBZ-UHFFFAOYSA-N	247.769	4.937	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC12CCC(CC1)CC2	2250352958	QCTRHNIMLOWINN-PYBGIAKNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1(C)CC(C)(C)C1)NC	2250367193	NZBZQWSGABQQDY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CNC1CCCCCCCC1	2250381032	KLQCSHCBGUBJQY-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)CC1(C)CC1	2250494796	DFGQTLJZHLXREV-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@@]12CCC[C@@H]1CC2	2251168518	WJDSOQNPONFTBA-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CCC1CC(CC(C)(C)C)C1	2251570059	FYNWHJRENSPAHY-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2CCC3(CC2)C[C@H]3N)C1	2253943234	DIIQYUWUZQWEEW-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C1CC(C2CCC2)C1	2254592386	NKLNOTFDYPRHDZ-IQAUEXFUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H](N)C1(C)CCC2(CC2)CC1	2254955819	YEJKWOAWVNBPLC-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@H]1CCCC1(C)C	2255143520	YRASECQXSGDBJY-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC([C@@](C)(N)CC[C@@H]2CCCC23CC3)C1	2255334098	YKOHICPLNWALQI-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@@H](C)C2CC(C)(C)C2)cc(C)c1C	2258232044	XAMTTZHBFUVSRY-AWEZNQCLSA-N	245.410	4.848	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@]23CCC[C@@H]2CC3)C1	2260607124	MCGPUJANQGNIDX-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(N)(C[C@@]23CCC[C@H]2CC3)C1	2260667345	CPDOJKWZHBIKOL-YZUHTNEWSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@]12CCCC[C@@H]1CC2	2260673641	SHQQKVOVPMAPGD-VQHPVUNQSA-N	249.442	4.645	0	10	BJAE	
CCCC1([C@H](C[C@@]23CCCC[C@H]2CC3)NC)CC1	2260680694	YVDCRFKEFPHXOG-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](NCC)[C@H](CC)CCC	2298645981	FPTWAKOXQWPELZ-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@@]12CCCC[C@@H]1C2	2300501297	LORAFRACDOIAGN-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CCC[C@H](C)CC1	2300684207	RLBBGWBOAGNRBH-GOEBONIOSA-N	239.447	4.713	0	10	BJAE	
CCC(C)=CCN[C@H](C)C1CCC(C)(C)CC1	2300866638	BDKZHXQPOFSFAF-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@@H](O)[C@H]1CC[C@H](CCCCC)CC1	2300904873	STQOVEUEAPDZCA-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CC2CCCCCC2)CC1	2301242087	OWAQFJHXRBNAAX-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
Fc1ccccc1NCCCC1=CCCCC1	2302345178	OQTGJQOZGNKCED-UHFFFAOYSA-N	233.330	4.518	0	10	BJAE	
CCCCC[C@H](C[C@H]1CCC(C)=C(C)C1)NC	2303594636	JQYQAAIVQUHNBO-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CC(=O)CC[C@@H]1CCC(C)(C)C1	2304438618	XJBFWPVFZHSDNM-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](CC)CC[C@@H]1CN	2307826988	SSNRZEIYZKTQPQ-ZJIFWQFVSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC(C)(C)C[C@H]1NCC	2307903498	OVDLXBXMRCOYLD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)C(CC1CC1)CC1CC1	2313608326	KTJJFMSEYGAGAE-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@](N)(C(CC2CC2)CC2CC2)CC1	2313660219	IYIWKMUXLYARKG-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCC[C@@H]1C(CC1CC1)CC1CC1	2313693005	SVFDJAHWMKSQMZ-MRXNPFEDSA-N	248.410	4.742	0	10	BJAE	
CCc1cc([C@H](O)[C@@H](C)CC(C)(C)C)ccc1C	2314696558	FYXJCMAHSPRYHQ-XJKSGUPXSA-N	248.410	4.663	0	10	BJAE	
OC(CC1CC1)(CC1CC1)C1=CCCCCCC1	2315435367	XJAUMIXMDLPMIT-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(=CC[C@@H](N)[C@]1(C)C=CCC1)CCCC(C)C	2316578168	CWWMRRYUYKMBQW-IAGOWNOFSA-N	249.442	4.833	0	10	BJAE	
NC1(CC2CCCCCC2)C[C@H]2CCC[C@@H](C2)C1	2316884675	MIQXZECXPISNPK-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H]1[C@H](C)[C@H]1CC	2317978099	ZBEKLWCTEKWVHL-MWQQHZPXSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H]2CC(C)(C)[C@H]2C)cc1	2318227536	UQPFUJPOMLKGTQ-RCBQFDQVSA-N	246.394	4.526	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)CCCC1=CCCCC1	2318539489	GXHBGKFQIACAFE-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(NCCCC2=CCCCC2)c(C)c1	2318558035	QNFRNRBBLLYNKE-UHFFFAOYSA-N	243.394	4.996	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)c1coc(C)c1	2318587680	BSVYXZHVJJJDRB-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
CC1CC2(C1)CC(O)(CCCC1=CCCCC1)C2	2318592562	KLPJHPWUVGYKNO-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@H]1CC12CCCCC2	2318881934	XZDHGJHGSJYYDA-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)CC1=CCCC1	2318884901	IFDYCLIYQGDZNI-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1C(=O)CC12CCC(CC1)C2	2320152106	ZIHUPFWNSIKVRH-DLOXAQCQSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1CC)[C@@]1(C)CC=CCC1	2320381834	CMXYISJZIGYFAD-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@H]2C[C@H]2CC(C)C)CC1	2320393360	DYXGCSIGYGMZJV-VQHPVUNQSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CC2=CCCCC2)CC1	2320400017	VFAAIEBYMOJZAK-MRXNPFEDSA-N	246.394	4.973	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)Cc1cccc(C(C)C)c1	2320654462	XVBKTZQLSBXATF-RHSMWYFYSA-N	248.410	4.540	0	10	BJAE	
CCc1cc(F)cc(NCCC(C)(C)C2CC2)c1	2321085686	WZVYKYGIVYUGOA-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
CC1=C(C)C[C@@H](NCC[C@H]2CCC(C)(C)C2)CC1	2321629049	XHLJIXDZBQJRAE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)CC2CC(C)C2)c1	2327795651	WVGNJTFZUZJIEL-KVULBXGLSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc2[nH]c(-c3ccc(Cl)s3)cc2c1	1519627	RFXSTQVUTNAVPJ-UHFFFAOYSA-N	247.750	4.858	0	10	BJAE	
CCC(CC)CN[C@@H](C)c1ccc(C(C)C)cc1	34996125	YNGYHRUIFBWAOS-AWEZNQCLSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)c1ccc(CC)cc1	35494982	BHORNNRUYCZKAI-WBVHZDCISA-N	247.426	4.726	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1	36697064	LSRYAAWAMYNPIV-DJIMGWMZSA-N	245.410	4.868	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](CC)c1ccccc1	36792442	XODMGODKZIVQEI-ZBFHGGJFSA-N	233.399	4.696	0	10	BJAE	
CCC(CC)[C@@H](N[C@H](C)C1CC1)c1ccccc1	37107801	GJWGEJRKAPZIQG-CXAGYDPISA-N	245.410	4.552	0	10	BJAE	
CCC(CC)c1ccc(Cl)cc1Cl	60247738	AWWZUMZEAHSLDQ-UHFFFAOYSA-N	217.139	4.897	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)c2ccc(C)c(C)c2)C1	71153905	IDMDVOYUMUOARC-INMHGKMJSA-N	246.394	4.553	0	10	BJAE	
CCCCCC[C@H]1CCCCC[C@H]1NCC	82434091	NWBAOOJVONLHFT-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CC(C)c1ccccc1Nc1ccc(F)c(F)c1	82715540	OPXUZXTUJMXSMC-UHFFFAOYSA-N	247.288	4.832	0	10	BJAE	
CCCC[C@H](CC)C[C@@](N)(CC)CCCC	83186043	GBZFAIHQVMGQAC-LSDHHAIUSA-N	227.436	4.891	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCC[C@@H](CCC)CC1	86940023	DGOSCOWZMWVEHV-ARFHVFGLSA-N	239.447	4.891	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)[C@H](C)CC	87399036	USXINQUXBJRAIE-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](O)C1CCC(C(C)(C)C)CC1	87985473	UFTAFHBNASZTEM-PPWQZUPISA-N	240.431	4.636	0	10	BJAE	
CCCC(=O)c1cc2cccc(C(C)(C)C)c2o1	88071834	GVAQNIKZUJTHTO-UHFFFAOYSA-N	244.334	4.713	0	10	BJAE	
C[C@@H](Nc1ccccc1C(C)(C)C)c1ccoc1	94868015	SBIPOXVKBUTBJQ-GFCCVEGCSA-N	243.350	4.750	0	10	BJAE	
CCCC[C@@H](C)NCC1(CC(C)C)CCCC1	94873830	YZIDPVVSMJZBCI-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](Nc1ccccc1OCC(C)C)C(C)C	103972841	FRSWNYHFTAPLBW-CQSZACIVSA-N	249.398	4.568	0	10	BJAE	
CCC[C@H](C)CNc1cccc(O[C@H](C)CC)c1	109948716	SXNFJVZIYGYRFR-UONOGXRCSA-N	249.398	4.712	0	10	BJAE	
CCCCC[C@H](N)c1cc(Cl)cc(Cl)c1	125407813	CTDLQLFXTSLGEU-LBPRGKRZSA-N	246.181	4.574	0	10	BJAE	
CC(C)CCCC1(O)CCC2(CCCC2)CC1	129913080	RXVSOOJGYIBKMF-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCC(C)(C)C[C@@H]2C)c1	155984541	MZUISKMRMDBONR-SWLSCSKDSA-N	249.373	4.761	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)C1=CCCCCC1	203532543	OQLRUZWFQAMMQE-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
C/C(=C\CCNCC(C)C)CC1CCCCC1	212022564	HJFCCDJWPOXJPV-OVCLIPMQSA-N	237.431	4.539	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(CC2CCCCC2)C1	231011296	KIDUSBSOBPLLDW-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@](C)(O)c1cc2ccccc2s1	233340054	WFFMPIUPIQAJRI-NHYWBVRUSA-N	248.391	4.545	0	10	BJAE	
C[C@H]1CCC[C@@H]1c1c[nH]c2c(Cl)cccc12	235579462	GXCSIDYDTQZNBO-UWVGGRQHSA-N	233.742	4.725	0	10	BJAE	
Cc1ccc2c(c1)[C@H](C1CCC(C)(C)CC1)CN2	235992981	QFBPUQMKVIVZAT-HNNXBMFYSA-N	243.394	4.721	0	10	BJAE	
CCSCc1csc2c(Cl)cccc12	257848521	BAFKRWBFMYESQX-UHFFFAOYSA-N	242.796	4.808	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@H](C)C(C)C	300131799	FYFIJBGFIZEWOE-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC)CCCC(C)(C)C	300812051	FZCYPQYGIAHQOA-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@@H](CC)C2)cc1C	302309849	NUHMTVVMTCTRLC-GDBMZVCRSA-N	245.410	4.938	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)c1ccc(C(C)(C)C)cc1	302603736	WTNGERYTCPSSEG-CJNGLKHVSA-N	247.426	4.666	0	10	BJAE	
C[C@H](NC(C1CCC1)C1CCC1)C1CCCCC1	302626081	PBSPNXHTCOJFCU-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@]1(CCC2CCCCC2)CCCN1	305898615	WLVIOSMOLNPOEZ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(CCCC(C)(C)C)C1	305931906	PAUNEZTXSJFWFV-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N)ccc1S[C@H]1/C=C/CCCCC1	306055676	XLIVERITKKKOEI-DYLGSBMWSA-N	247.407	4.558	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@H]1CCC[C@H](C)C1	308119094	ZUQHBOMTZVRWFW-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C[C@H](C)CC(C)C	309989226	GRFYOBOFEWMFPI-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC[C@H](C)c1ccccc1	310873997	SAIZFEBWLHHDBB-LSDHHAIUSA-N	247.426	4.595	0	10	BJAE	
C[C@H](C[C@H]1Cc2ccccc2N1)C1CCCCC1	311196887	GBSIEEDWNAWKMQ-CJNGLKHVSA-N	243.394	4.630	0	10	BJAE	
CC(C)NC[C@]1([C@H]2C=CCCC2)CCC[C@@H](C)C1	317366876	JJSRTWWLWCYESO-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC[C@](O)(C[C@@H](C)C1CCCCC1)C1CCC1	322293349	RQDFZEAZFTXRON-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC/C=C/c1ccccc1)[C@H](C)CC	324246598	HMJQJAGFFMYFLF-NSBLKUNKSA-N	245.410	4.504	0	10	BJAE	
CC[C@H](N[C@@H](C)c1ccc(C)c(C)c1)C1CCC1	324930300	NKGLKWGBMURRQM-YOEHRIQHSA-N	245.410	4.533	0	10	BJAE	
CCCCC[C@@H](N)C[C@@H](C)C1CCCCC1	381886698	PNNGVUPPSIFWNT-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCCC[C@@H]1O	383088947	BRMNZJSMIPMJJY-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](C)c2ccccc2N1	383346203	YXLZLZJPPAAFGW-BFHYXJOUSA-N	231.383	4.801	0	10	BJAE	
CCN[C@H](CC(C)C)c1ccccc1C(C)C	383350574	ACHBTCITVVFTNF-MRXNPFEDSA-N	233.399	4.507	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)c1cscc1C	384870408	QXRVNNHRJJJGLK-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
Cc1cccc(C(=O)CCC2=CCCCC2)c1F	384896025	ZYRDYQBWBGGTJU-UHFFFAOYSA-N	246.325	4.597	0	10	BJAE	
CCC1(NCC2(C)CCCCC2)CCCCC1	394628047	GWGHJBVBEZEKIV-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCOc1sc2ccc(Cl)cc2c1CC	396191160	OLVLBWCPOKAQMO-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1ccc2sc(C(F)F)c(F)c2c1	396192156	DQNDBHKUSBVGOZ-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1c(C)ccc2cc(C(F)F)sc12	396212166	BEPHELFZTDIVOI-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1ccc2c(C(F)F)csc2c1C	396214058	DLPZOPOFNKUCGO-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1cc2cc(F)cc(C(F)F)c2s1	396214656	NDAZLTIPCLYYGH-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC(C)c1cccc(NC[C@H](C)C2CCC2)c1	398620962	JXXNXAOAWYJELA-ZDUSSCGKSA-N	231.383	4.658	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1cccc(F)c1C	399029068	XJZZXKJEUIDTRL-JSGCOSHPSA-N	248.341	4.533	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1cc(C)cc(F)c1	401851818	VEWPUNOPQVPVHE-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
C[C@@H](C[C@@H](N)c1coc2ccccc12)C(C)(C)C	404309295	UVBULGIOLUMLNE-SMDDNHRTSA-N	245.366	4.505	0	10	BJAE	
CCCN[C@H](CCCC1CC1)c1cc(C)oc1C	405735999	AOXODIOKGCPXDQ-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)CC1CCCCC1	689833254	ZBBHUHFYCCAOHR-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCCCC1CCCC1	691091058	UFTVJNUJZDYRCX-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CCC12CCCC2	693899147	MWCUMMKNRSYXFE-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC(=O)[C@H](C)c1cccc2ccccc12	695074436	OKKIZFLMLPVKQS-CYBMUJFWSA-N	240.346	4.559	0	10	BJAE	
CCC[C@@H](NC1CCC(C2CCC2)CC1)C1CC1	696012573	INFDMHWLIKVVIR-BDVYOWHSSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)C)CC(C)(C)CC	696246987	DZKGCJNWWUDMJA-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCc1ccc([C@@H](N)CCC(C)(C)CC)s1	696652313	PUXWATMKEVZWMM-LBPRGKRZSA-N	239.428	4.527	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)c1ccc(C)c(C)c1	696679670	VOFYAWMSGNVOLH-KRWDZBQOSA-N	247.426	4.694	0	10	BJAE	
CCCN[C@H]([C@H](C)C1CCC1)C(C)(CC)CC	701251484	BGTMMLYXZNUDTQ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc(C(C)(C)C)cc1	701344045	PFCNOBVPHKQRFZ-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CCC(C)(CC)C(=O)CC1CCCCCC1	701376387	CNBJSRCJGGPSHY-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCNC[C@]1(CCCC(C)(C)C)CC1(C)C	702218788	ZBPWMRGOAIBDQZ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(N)CC1CCCCC1	704892518	YNOPDSMHITVLKQ-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)[C@@]12CCCC[C@@H]1C2	709101121	YORDCUAANPRHDP-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CCCC1CCC1	709136933	WDGPCPAUOYXAEE-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CSc1cccc(NC2CCC3(CC2)CC3)c1	710169732	FOAPWXHZCHBSOR-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@@H](C)C(C)(C)C)CC(C)(C)C	710784371	DGDSDFWFXXJWBN-MGPQQGTHSA-N	242.447	4.882	0	10	BJAE	
CC[C@H](C[C@@H](N)c1cc(C)ccc1C)C(C)(C)C	711054347	OZHZYGZMRBZKQG-GDBMZVCRSA-N	247.426	4.766	0	10	BJAE	
CC/C=C/C[C@H](CC)c1ccc(F)c(F)c1	714546764	NLTWCPFTEDWXHH-QRGHLMKCSA-N	224.294	4.815	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1cccc(Cl)c1	718690402	JNAYHSDYODLQJP-AWEZNQCLSA-N	238.758	4.510	0	10	BJAE	
CCC(C)(C)CC[C@]1(CO)CCC=CCCC1	718987716	HGAMBAJWYACQMO-INIZCTEOSA-N	238.415	4.702	0	10	BJAE	
CC1(C)CC(C[C@]2(N)CC[C@@H]3CCCC[C@@H]3C2)C1	723640414	XJYRWIFRIKXTDT-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1CSCC(C)(C)C	1307343082	BOBHKSNWVWFNSS-RYUDHWBXSA-N	214.418	4.592	0	10	BJAE	
C[C@H]1CCCC[C@H]1CSc1cccs1	1651765111	ATWGYVZWTSMREJ-QWRGUYRKSA-N	226.410	4.667	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCCC[C@H]1C	1900711742	FNSZVFLTBBCUNY-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC[C@H](NCC)C(C)(C)C	1905452394	CPSAFMFWVAKSHJ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)c1ccc(O)c(CC=C(C)C)c1	1906986715	MKDULFSWWCEIIL-UHFFFAOYSA-N	232.367	4.589	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@]1(O)CCCCCC1(C)C	1910705981	IMABALFQNSTLMO-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](N)CCC=Cc1ccccc1	1911954049	CKGCDYNEMVUVPP-QGZVFWFLSA-N	245.410	4.778	0	10	BJAE	
C=CC=CCCNCC1CCC(C(C)(C)C)CC1	1912002733	NIQXGUQKIDJQKF-UHFFFAOYSA-N	249.442	4.561	0	10	BJAE	
C=CC=CCC[C@@H]1CCCC[C@@H]1CNCC(C)C	1912110922	AUAFHNAKGHCASM-IAGOWNOFSA-N	249.442	4.561	0	10	BJAE	
CC[C@H](C)CC1(CNC2CC2)CC2(CCCC2)C1	1912565282	MKCGZYKYEMLXOP-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(N)CCC2(CCCC2)C1	1916409222	FRNFZCMEYNVFBX-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@]1(CNC(C)(C)C)C=CCCC1	1916568318	ILPRZHVQRKNRRX-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](O)(c1ccccc1)C(C)C	1919936358	ZPAJPIYCIDBROC-NVXWUHKLSA-N	248.410	4.603	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@H](C)c1ccccc1	1919996268	CGWDAOQFRFJSNW-ZMSDIMECSA-N	248.410	4.758	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCCC12CCC2	1921499734	RYTGXMVLLKZPPE-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCCCc1ccc(NCC[C@@H]2CC2(C)C)cc1	1921566155	YYFLBPAAZYLEJY-OAHLLOKOSA-N	245.410	4.877	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CCCC12CCC2	1921591930	JSGYLLOAZPKCFA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC(NC[C@H]2CCCC23CCC3)CC1	1921603075	MMVXDORVDGDQIN-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H]1CCCC12CCC2	1921643870	KYMYSTFGNUOYIH-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)[C@H](C)C1CCCC1	1925773191	WSFLHZMSDZHQEY-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@H](CC[C@H]2C[C@H]3CC[C@H]2C3)CCCC1	1925815468	WTMXHJCZQFAMCI-FZKCQIBNSA-N	218.384	4.949	0	10	BJAE	
CCN[C@H](C=Cc1ccccc1)CC(CC)CC	1926177022	MPVVNNZDYDAVIT-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C[C@@H]1C=CCCC1	1926194221	SLKHQWDFBJGXHM-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@@H](C)C1CCCCC1	1926385092	GDQPXODDGHOBCT-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC1(C)CCCCC1	1935625086	KAHIWRJVJOASNV-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CC1(C)CC[C@H](CC2(C)CCCCC2)[C@H](N)C1	1940400790	DBZKKMMOQNMZPK-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](O)CC2(C)CCCCC2)C1	1940409573	YHCULKUHMVINPH-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@@H](CCCC2(C)CC2)C1	1940877293	PRZKZNFDQKPYER-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NCC)C1CCCCC1	1941264675	SOTDJENXLZBCFP-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)CC(C)(C)C	1941840665	GEBVUNRUPHBSFA-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CNCCC)C1CC1	1942091453	SIDUNKAEUPJLLC-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H](CNCC(C)C)C1CCC1	1942096341	AJSOEYIYPUJNRV-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H](C)CCC(C)C	1942658239	HMRPGHSMXXMQEB-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944204749	RTPDHMDRIUNCNT-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C(C)(C)C1CCCCC1	1944617361	BAXBCXALKBYWLU-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCCCC12CCC2	1947912768	ALKPAUAKLFRVBO-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCCC)C1CC(C)C1	1948155069	IFCHJOSHBOBBAR-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@](N)(CCC(C)(C)C2CC2)C1	1949031961	GHJIBLAKRUACIM-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1CCCC[C@@H]1CC)C(C)C	1949831715	BOHLWFFJUMZMIU-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC=C1CCC[C@@H](CCN)C1	1950493681	JJPDTTXLGQKBGC-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CCC2CCCC2)CC1	1950929890	KUTBDCDPOAGYLR-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cc(C=O)cs2)cc1	1951241645	FVFIXGIIGURLNO-LLVKDONJSA-N	244.359	4.741	0	10	BJAE	
CC(C)=CCCc1cc(C(F)F)cs1	1955629078	JARFRLWVJAKJBW-UHFFFAOYSA-N	216.296	4.585	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2C[C@H]3CC[C@H](C3)C2)CC1	1965905168	VDSBNMLZTMUFDE-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	1967858992	YVXMBKWYZDHZPZ-ZXDRNQKISA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@@H]2CCCC3(CCC3)C2)C1	1969006814	XMDITTPGNUYSFS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	1970676863	ASCUWUKWUMVMLA-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@@H](C)NCC1(CC(C)C)CC1	1971556361	AXRTVBAJNIHGLF-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CN[C@@H](C)c1cc(C)ccc1C)C(C)C	1973386018	NWZRBABXPMMIFT-HOTGVXAUSA-N	247.426	4.636	0	10	BJAE	
Cc1cscc1N[C@@H](C)C1CCC(C)CC1	1975959713	VBPWCAWVQSBYMN-YDGIUTOCSA-N	237.412	4.683	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@H]1CCC=CCCC1	1978275218	VSZCYXUKQSRCNJ-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
C/C=C/CCCc1cccc(C(F)F)c1F	1984610291	MBLWMYJVXSEEPX-NSCUHMNNSA-N	228.257	4.662	0	10	BJAE	
C[C@H]1C[C@H](CC2CC(=C3CC3)C2)CC[C@H]1C	1985534510	KEMKFFFKPMHOTA-FRRDWIJNSA-N	218.384	4.949	0	10	BJAE	
CC(C)[C@H](C)CC(=O)C1(C)CCCCCC1	1988303792	XZQVSNLHOHGMTD-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC1(COc2cccc(Cl)c2)CCC1	1988433887	YNMFUZCAYCYFGM-UHFFFAOYSA-N	238.758	4.689	0	10	BJAE	
CCSc1ccccc1NCC[C@@H]1CC1(C)C	1996565144	YEOJDFPBWJVFBM-GFCCVEGCSA-N	249.423	4.647	0	10	BJAE	
CCCC=CCNc1ccccc1SC(C)C	1996570429	NSJDTRNFLMCPKW-UHFFFAOYSA-N	249.423	4.955	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)C1(C)CCCCC1	1997013546	HQSZZVNWPQARPW-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](CC)(CNC)CC1CC(C)(C)C1	2000505897	VXACDKZFHWAIDS-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@@H]1CC12CCCC2	2001254707	KMRCXJXDOQFIHN-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2002779466	JDBOTXQLLHEFDG-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@](C)(N)CC(C)(C)C)CC1	2002923699	CAJZWOGZQHXESN-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)[C@]1(CNC(C)C)CCCC(C)(C)C1	2002979359	QHMMQRBPDHCPGE-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CC[C@H](C)CC2)CC1	2003066452	CDXSNQAMWXDGDY-NZFPVTAUSA-N	236.399	4.598	0	10	BJAE	
CC(F)(F)CCCC1(N)CCCCCCCC1	2003101278	TXSNQFOEGLXHHV-UHFFFAOYSA-N	247.373	4.644	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@]1(C)C=CCCC1	2003320580	IIJLNOKYYXIKKS-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC1(CC(=O)[C@]2(C)C=CCCC2)CCCCC1	2003336175	ZKKZJCHVIGGNLR-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
CC(C)=CC[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1	2004226903	JUTHGEIRNLINKZ-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC[C@H]1CC1(C)C	2004232089	SDQLSRBIMNQVJD-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CCC([C@H](N)CC=C(C)C)CC1	2004233385	KDTOGXRRJDGHPJ-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC2CCC(C)(CC)CC2)C1	2004368214	AZFCEGILEFIOMG-YHNBSYBMSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](C[C@@]1(CN)CCCCC1(C)C)C(C)(C)C	2005588427	DXQKQUHUGXTKFO-XJKSGUPXSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](C)CC(=O)C1(C)CCC(C)(C)CC1	2007684154	ZNXGWWBTCDGTKN-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](NCC)C1(C)CCC(C)(C)CC1	2007697817	QLQGIKNHTCZULH-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H](C)CC(C)C	2007947726	TZZRXDDPZSJJCF-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)C(C)(C)CC	2010713536	DYDBPEKUCIBHSC-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC(C)(C)CC)CC(C)(C)C1	2012055981	GNQCLYNKRTZMCG-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1([C@](C)(O)C2=CCCCCCC2)CCCC1	2014330219	XWZBNLYEIWJNRA-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)C1(C)CCCC1	2014340707	RVQUQFJBNOXLAI-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CCCCCCC(=O)[C@]1(C)CCCC(F)(F)C1	2014955674	YDZBPWSCOXCZFW-CYBMUJFWSA-N	246.341	4.742	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)c1ccc2sccc2c1	2015277943	KQJXWZLFXKXCGJ-RISCZKNCSA-N	247.407	4.583	0	10	BJAE	
CCCC1(C[C@]2(O)C[C@@H](C)CC[C@@H]2C)CCC1	2015641094	ZXJIELWHBAQHHV-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CC[C@H](C)CC2)CCC1	2015646227	XVOXMJDAONASTO-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(CC1(C(C)(C)C)CCC1)C1CC1	2017148133	KYBCWSBWGYEXJV-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(C)CC(F)=C(C)C)CC1	2017470292	ZFFTZBLPWPSELX-UONOGXRCSA-N	241.394	4.541	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)[C@H](C)C(C)C)CC1	2017650090	CUCHZTNBWNISQT-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCC[C@@H]2CC)CC1	2017729728	ZQNSFINRBUSWFP-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1C(=O)CC[C@@H]1C[C@H]1CC[C@H](CC)CC1	2017776599	QZTPMNDGUCQMBN-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC1CCC(C)(C)CC1	2017795333	ZZWWKQMGHZZKHZ-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)N(C)CC1CC(C(C)(C)C)C1	2018181573	LNGHZTWXYYASLO-NRXISQOPSA-N	239.447	4.569	0	10	BJAE	
CC1(c2csc(C3CCC4(CC3)CC4)n2)CC1	2018309903	MBCRQSDRBRWNAW-UHFFFAOYSA-N	247.407	4.632	0	10	BJAE	
CCCC1(COc2cccc3sccc23)CC1	2018918228	TZZOSLDAJMYGHR-UHFFFAOYSA-N	246.375	4.860	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CC1(CC)CC1)NC	2018989830	INULRFAANIUPPI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)C1(C)CCCC1	2018993992	JKDRMXULBVWDJH-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H](Nc2ccccc2C2CC2)C1	2021026315	QDWWMPSZXNRJJD-ZDUSSCGKSA-N	229.367	4.555	0	10	BJAE	
CN[C@H](CC=C(C)C)C[C@H](C)C1CCCCC1	2023327812	NNDHPXLPSDJZQX-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H]1CC(C)(C)C[C@H]1NCCC	2023607668	BDWZWYBJXHDAKC-SJKUQHEZSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1[C@@H]2CCC[C@@H]12	2026078543	FLMAMZODZBQEFR-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C[C@H](C)C(C)C)NC	2026164772	WCGJWLIZYFIMQZ-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CC1(C)C)CC1=CCCC1	2027830383	IRXWZEWUIMNMKU-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1c(C)c(C)cc(C)c1C	2028233806	ZVCDRESTHSFTFX-NVXWUHKLSA-N	248.410	4.636	0	10	BJAE	
Cc1ccc([C@H](N)[C@@H](CC(C)C)C(C)C)c(C)c1	2028263740	NBXPFNXYKROJKY-IRXDYDNUSA-N	247.426	4.622	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccccc1C1(C)CC1	2028554220	ICDIUTNAEVWYAX-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
N[C@H](CC1CCCCC1)c1cccc(C2CC2)c1	2028560796	UKIBKXVKWMNAKB-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)[C@@H]1CCC[C@H](C)C1	2028898340	UFGOLRLVZAUZDK-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)NCc1cccc(C2CCC2)c1	2031916265	RXGLOMBBMLNZDM-QGZVFWFLSA-N	245.410	4.622	0	10	BJAE	
CNC[C@@]1([C@@H]2C=CCCCCC2)CCCC1(C)C	2032111306	GZKIEDIFWKZFGX-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@H](C)C1CC1	2032165710	LVCVUGWDJNBNJG-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CNC2(CCCC2)[C@@H]1CC1CCCCCC1	2033534892	LOYNBABRLVTADD-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)cc1NCC(C)(C)C1CCCC1	2034020695	WZLPAURHUMGASS-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H]1CC12CCCC2)C1CCCCC1	2036099457	DMQRXBYVOQRKIH-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C=C1CNC2(CCCCC2)C1)CC	2037760910	FQSXBKGSSPDSCE-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@@H]1CCC2(CC2)C1	2038568408	PYOOXSUEQUGREO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](N[C@H]1C=CCCCC1)c1cccc(C)c1	2039031752	HRFTWWREYMWCPR-DLBZAZTESA-N	243.394	4.535	0	10	BJAE	
CN[C@H](C[C@H]1C=CCC1)[C@@H]1CCCC(C)(C)CC1	2039381999	VUDAHYZXKALBGJ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCCC[C@@H]21)C1(C)CCCCC1	2039859739	OOHFMBWDMMDAKU-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC1CCC([C@@H](C)NC[C@@H]2C=CCCCC2)CC1	2040630317	LFKQLDWFLPGATP-JCCCHCCOSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H](N[C@@H]1CCCC2(CCC2)C1)C1CC1	2041288933	DPKVWBUSRJRRHN-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CCCCCc1ccc(NC[C@H]2C[C@H](F)C2)cc1	2042329910	BAACKUZLXFEEAU-SHTZXODSSA-N	249.373	4.579	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2CCC=CCCC2)CCCC1	2045316287	CJBJDWXGQRMEDY-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@H]1C[C@@H]1CC	2045319134	AOBYTGUUDPAYAY-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC([C@@H](N)C[C@H]2CC23CCCCC3)C1	2047006339	ABBMODMIMDJMGV-PYBGIAKNSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](N)C[C@H]2CC23CCCC3)CC1	2047024943	XXVPPYPBAKVUMZ-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@H]1CCC12CCC2	2047928374	JQIXLAVUTAXCBT-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](CNC2CC2)(CC2(C)CC2)C1	2049492463	JEOLQFOTKAFXIJ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@@H]2CC3CCC2CC3)CC1	2049637120	TZWRSUOARISSTP-WVTZPBJPSA-N	248.410	4.598	0	10	BJAE	
CN(C1CCCCCCCC1)[C@@H]1CC[C@H]2C[C@H]2C1	2049782336	HKXUJWHKFBHUQD-YQQAZPJKSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC(N)(C[C@H]2CCC3(CC3)C2)CC1(C)C	2049847252	ADDVJLHOBZFAHP-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)C[C@H]2CCCC3(CC3)C2)CCCCC1	2049849645	RVFJEECNINHZPJ-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)([C@H](N)CC2CCC3(CC2)CC3)C1	2049858336	REMCFWFTGJQQNF-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C[C@H]1CCCC2(CC2)C1	2049861466	WQMIFFLIBAZYPK-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@]1(C)C=CCCC1	2049995603	AOJIFRPITDBSIZ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H](C)[C@H](C)CC)c1ccc(C)cc1	2050431770	SMPUGGDIPPJNDZ-BFYDXBDKSA-N	247.426	4.718	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2C[C@H]3CCCC[C@H]32)CC1	2051600732	YBIKJDMLYOYKDR-OWUKFGMTSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@]1(CN)CCCCC12CCC2	2053420659	LVHZSDWBMHSTEO-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C12CCC(CC1)CC2	2059266340	FLRUNHMOSYQQSH-DSBFIYNKSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C1=CC[C@H](C)CC1	2060920023	BAKMTXMXTFRMDP-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CCCC1)C1=CC[C@H](C(C)C)CC1	2061089277	RXEIQJPWZNFWMH-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C2=CCC(C)(C)CC2)CC1	2061094490	GQPXTQCZARKCFE-YCPHGPKFSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@](C)(N)C2CC(C)(C)C2)CC1	2061110656	JUEVLWIKIAHHTD-CXAGYDPISA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1C1=CCC(C)(C)CC1	2061148795	XUDWPCLZVUOVLJ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(CN)(CC[C@]23CCC[C@@H]2C3)CC1	2061623843	UWMVGMUUNRFVOB-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
c1ccc2cc(CC3CC(=C4CC4)C3)ccc2c1	2061718945	SBRQBJVUCABEON-UHFFFAOYSA-N	234.342	4.883	0	10	BJAE	
CCCN[C@@H](CC1CC(=C2CC2)C1)[C@H](C)C(C)C	2061729790	AHGSOCLNNLBKMG-DYVFJYSZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)CCCC3CC3)C2)C1	2063208032	MGNREOPGIRGIQH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CCC2)C1)[C@H]1CCC1(C)C	2068338487	ZDCQXVJXRPKFLT-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068774447	YOOWMFQVEPTFRZ-JSGMBBGDSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(N)(CC2C[C@H]3CC[C@@H]3C2)CC1	2068775687	YOOWMFQVEPTFRZ-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2[C@H]3CCCCC[C@H]32)CCC1	2069339441	JFCULKODQSQKKA-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CC[C@H]1CCc2ccccc2N1)C(C)C	2070272976	LZOQDPQGUNIKCG-ZBFHGGJFSA-N	245.410	4.876	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCC12CCCCC2	2070407567	HOAXHTISTKRZEN-JKSUJKDBSA-N	249.442	4.824	0	10	BJAE	
CC(C)C1(CC(N)(C2CCC2)C2CCC2)CCC1	2071947889	BMCJOMUBUPVSNG-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](O)C[C@H]2CC[C@H](C)CC2)c(C)c1	2072669933	SQDKBLNNENIFLS-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C2CC3(CCC3)C2)CC1	2072681608	KZDDRMYULAWITB-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(N)CC[C@H]3CCCC[C@@H]32)CC1	2072793359	JMLBTQKDIVHTIT-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=Cc2ccccc2N)CC1	2072808111	CPBIWWFTPDAUGE-SHTZXODSSA-N	243.394	4.889	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@@]12CCCC[C@H]1C2	2074031783	AOXBEOHYBWFPNS-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@H]2CCC3(CCC3)C2)C1	2074891080	DTQBUOMUKKYDSH-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1C[C@@H](C)c2ccccc21	2074896566	QJRGSXIOOFCGGE-IIAWOOMASA-N	243.394	4.579	0	10	BJAE	
CCN(C[C@H]1CC[C@H](C)CC1)c1cccc(C)c1	2075292086	AXUWITDMQUDUPA-KOMQPUFPSA-N	245.410	4.648	0	10	BJAE	
CCCCc1ccc([C@@H](C)CCNCCC)cc1	2077921475	XMVSCWOQSWADGE-HNNXBMFYSA-N	247.426	4.522	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CNc1cccc(C2CC2)c1	2079613745	NDLLTHMDTZLFHE-HOCLYGCPSA-N	243.394	4.658	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC[C@H]1CCc2ccccc2N1	2079668863	CXMQNBWWTHJTJS-BZUAXINKSA-N	243.394	4.630	0	10	BJAE	
Cc1ccc2ccn(C[C@H]3C[C@H]3C(C)(C)C)c2c1	2079818753	KJMUDZFHOPYYJI-HUUCEWRRSA-N	241.378	4.632	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@H]2C[C@H]2C(C)(C)C)c1	2079850163	DAGPVMGQLKEBRU-UKRRQHHQSA-N	244.378	4.558	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C[C@@H]1C[C@H]1C1CCCCC1	2079852512	QXKBXAIUCNMXFZ-JWDQPFGJSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCCCC[C@@H]1C	2081946830	LZBMGHBRKVDDAB-WFASDCNBSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)CC[C@H]3CC[C@H]2C3)C1	2082988315	UYYFIHLMUNYONW-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CCN[C@@H]2CCCC23CCCC3)C1	2084916115	GNAVNFIZOGZSSN-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(N[C@H]2C[C@H]3CCC[C@H]2C3)c(C)c1	2086171974	SMDCEKANGOGWDC-JYJNAYRXSA-N	243.394	4.602	0	10	BJAE	
CC[C@@H](C)[C@](C)(N)CCCCCCC1CC1	2210526245	BOWFWQNHTGCKQD-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)[C@@](C)(O)CCCCCCC1CC1	2210527334	QHHXXSCOJNMUFQ-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@](C)(O)CC1(C)CC(C)(C)C1	2211617381	IKFNHULCQQNVGX-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@](C)(N)c1cc(C)sc1C	2211650159	GVRKMAIKDYPAIU-AWEZNQCLSA-N	239.428	4.509	0	10	BJAE	
Cc1cc(Cl)cc(OC[C@@H](C)C(C)(C)C)c1	2212533641	UJYUESCTKRTDKF-LLVKDONJSA-N	240.774	4.709	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213281651	IVFVEOWQHLZWEJ-FICVDOATSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](CCCCCCCC1CC1)NC	2213575528	GPDCATOAVLXLQI-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCC(C)(C)[C@H](C)NCCCCCCC1CC1	2213580657	NIEFYUOZQVHBLU-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H]1C[C@H]1CCCCCCCCC1=O	2215116360	KHWKKEXVXWMJOA-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@H](N)C1(C)CCCCCCC1	2215258878	VXIHBZRIJFHAMX-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccnc(C(C)C)c1	2215269410	QHUDYLXQYBRGKM-CYBMUJFWSA-N	234.387	4.586	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2CCCCC2)CC1	2215825051	ZXMYXYDFQMPBCD-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC[C@@H]1CC=C(C)CC1	2215833588	KTFZDOLJRXZQQU-NUEKZKHPSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@@H](N)CCCCCCCC1CC1	2216876514	DHHKLTDCGOSPPM-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](CC=Cc1ccccc1)NC	2219083283	CPZJVKQBUXYXHS-RDJZCZTQSA-N	245.410	4.504	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@H]1CC12CCCC2	2220026015	VCBZKWQOJOSDRL-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@H]1CC12CCCCC2)C1CCCCC1	2220306591	YEOMGCCENVSKLY-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@H]1CCCn1ccc2cccc(F)c21	2220312114	GZIMISVSKRJDBQ-CYBMUJFWSA-N	245.341	4.607	0	10	BJAE	
CCC[C@H](NC[C@H]1CC=C(C)CC1)C1CCCC1	2221663195	JXJRBEXMRFOYGU-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1(C)NCC[C@@H]1C=CCCCCCCC1CC1	2223108076	BZGZHSXUFOMMRN-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@@H](CNC2CCC2)C2CCC2)CCCC1	2223549654	TZHJDNIXXXUVAH-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC[C@@H](C)CCCC(C)C)C(C)=O	2244851446	KWNMSZMZDPFJPW-ZFWWWQNUSA-N	226.404	4.844	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCCC[C@H]2N)C1	2246657270	RBAHOEDABFNBKG-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CC(C)(C)CC2=O)C1	2246693667	JZSOTSIXRLKOMC-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C[C@@](O)(CC1=CCCCC1)CC1CCCCC1	2247455315	KTGRNIUSCOYMJL-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(NC(C(C)(C)C)C(C)(C)C)C(C)C	2247750892	PMIMZIHGPBVPAT-UHFFFAOYSA-N	241.463	4.717	0	10	BJAE	
CCCc1ccc(CC[C@H]2C=CCCC2)cc1	2248167816	IAPUHKNLJRHJLW-INIZCTEOSA-N	228.379	4.928	0	10	BJAE	
CC(C)CN(CCCCC[C@@H]1C[C@H]1C)C(C)C	2248837341	FBYDSSQQADIYGM-HZPDHXFCSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(O)(CCCCC[C@H]1C[C@H]1C)C(C)C	2248870374	LVUKWIDRGYFNRI-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H](C)CC(C)(C)C)NC	2250353192	SCWZXAQRGCEQPT-ILXRZTDVSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@]1(C)CCCC1(F)F	2250361155	KCTCHYFUDCWCLI-YPMHNXCESA-N	246.341	4.597	0	10	BJAE	
CC[C@](N)(C[C@@]12CCCC[C@@H]1CC2)C(C)(C)C	2251212150	PVDTUACIYUHAMS-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CNCC(=CC[C@@H]1CCCCC12CC2)C(C)(C)C	2253800305	GWOANWOPMPTHFU-AWEZNQCLSA-N	249.442	4.539	0	10	BJAE	
CCCC1(CNCC[C@@H]2CCCCC23CC3)CC1	2253883473	JXELWDMUFWSSMN-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)C23CCC(CC2)C3)C1	2253939399	SFJQHSDCMPKKOT-QSFKDOLUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1(N)CCC(C2CC2)CC1	2254591144	LNEVWCVOCSYLJQ-CRYBEJKASA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2CCC23CCC3)CC1	2255011427	WETYMGABTOYRJM-BBBYJDLNSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(NC[C@@H]2C[C@@H]2C(C)(C)C)cc(C)c1C	2258244076	ZNQGTHGQCXQHRX-HOCLYGCPSA-N	245.410	4.706	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1CC(=C2CCC2)C1)NC	2259447439	MYUBAMMCLLBGIP-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC1CC2(C1)CC(C[C@@]1(N)CCCC(C)(C)C1)C2	2259583207	RSYYVQQRKAAXGZ-DRRRZMAASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@]12CCC[C@@H]1CC2	2260509361	UXLSAIVCOXDWRZ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@@]12CCCC[C@@H]1CC2	2260656188	FOJZAHRJOUIEKY-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCCC(=O)Cc1cccc(C2CCCC2)c1	2260735223	IQGJVLXBSZDVEU-UHFFFAOYSA-N	244.378	4.646	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H]1CCC[C@H](CC)C1	2300685677	HVDFIPNIOFBMQS-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CCCC2(CC2)C1	2300690618	KSHDKJPGATUDDC-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C(C)C)[C@H](C)N[C@H](C)[C@@H](C)C(C)C	2301688572	LBLAUBDTRQGBPK-ZNMIVQPWSA-N	241.463	4.573	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@H]2CCC[C@@H]2N)CC1	2302504278	OYHOBOMIQCMBRA-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C(=O)CC[C@@H]1CC[C@@H]1C1CC1	2303157126	ZCJLJBJFJIVPPZ-AEGPPILISA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1CC[C@H]1C(C)(C)C	2303443552	VQLRLJAWXKAZIF-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H](C)CC	2303578077	WQGXGRIECWWHQQ-APHBMKBZSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@H](N)CC[C@H]2CCC(C)(C)C2)CC1	2304435259	HQMHWFVCPOIJLX-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(NC2CCCCC2)c1F	2307559910	VKQPQQNPUNIUQJ-UHFFFAOYSA-N	235.346	4.694	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@@H]1CC[C@@H]1C1CC1	2307893708	OFBSFQWDPMRQTE-DUVNUKRYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](N[C@H]1C[C@@H]2CCCCCC[C@@H]21)C1CCC1	2309183317	GYYHOQFJBZALRK-QAETUUGQSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1N[C@@H]1CC[C@@H]1C1CCC1	2310980424	BAODAYAJLBUOFA-RKTXRCNFSA-N	249.442	4.514	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2311327992	IURNITMCYFMVDL-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN[C@H]1C[C@@H]2CCC[C@@H]21)CCCC(C)C	2316490970	PFOOFVVLBKVTAY-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN[C@H](C)C1CC=CC1)CCCC(C)C	2316492512	TZYDGQMLQZHDTR-MRXNPFEDSA-N	249.442	4.703	0	10	BJAE	
CC(=CC[C@H]1CCC(C)=C[C@H]1N)CCCC(C)C	2316536764	OBTQMJYIBGUVMV-DLBZAZTESA-N	249.442	4.833	0	10	BJAE	
C[C@](N)(CCCC1=CCCCC1)[C@@H]1CC12CCC2	2318543349	YYGURYAGLVNJIG-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@@H]1CC12CCCC2	2318873691	BXVWCXWXSWLHKS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](NCC)c1cc(F)ccc1C1CC1	2319174262	SDTGHVCCHAFRKL-INIZCTEOSA-N	249.373	4.544	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCC(C)=C(C)C1	2320237383	JPWVPGMQDWNDPD-IKGGRYGDSA-N	249.442	4.824	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(CN)CCCC[C@@H]2C)CC1	2320326420	FKHOPKYYCUVTBR-GVDBMIGSSA-N	249.442	4.668	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2CCC(C)=C(C)C2)CCC1	2320336750	IGRYWAOGJFVTFR-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC(C)=C(C)C1)C1CCCC1	2320338931	ZNTRZRFFNDSDJI-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@](N)(CC23CCC(CC2)CC3)CC1	2320391490	UIFKIFHOMZSHIA-JCYILVPMSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(=O)c1cccc(C2CCC2)c1	2320656036	YFVGXBZZPIJOFH-SJCJKPOMSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CNC23CCCCC3)C1	2321632042	QYZWTQDHJICXFO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@@H](C)CC(C)C)c1	2327788418	DUUFUKHLVDQFAQ-YOEHRIQHSA-N	247.426	4.800	0	10	BJAE	
CCCCc1ccc([C@H](C)N[C@@H](C)C(C)C)cc1	20522499	XZVNWCAZQLCZFD-GJZGRUSLSA-N	247.426	4.724	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2C[C@H](C)CC(C)(C)C2)c1	21816870	IXIKOEKEXXVTGE-ZFWWWQNUSA-N	245.410	4.930	0	10	BJAE	
CCc1cc(=S)oc2cc3occ(C)c3cc12	32500145	VRAHGYSFYUHYBR-UHFFFAOYSA-N	244.315	4.779	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(C(C)C)cc1	37199968	VUYIXIDVVMEOMI-CYBMUJFWSA-N	219.372	4.801	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H](CC)C1)c1ccc(C)cc1	80452292	QQWMZRNKAGKQPB-OIISXLGYSA-N	245.410	4.614	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C[C@@H](C)CNC(C)(C)C	84129308	BNTBIQGPLFBDPP-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](C)c1cc(C)ccc1C	88296293	KXIXGIWTCZUETG-MAZHCROVSA-N	247.426	4.779	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(CC)CCCCCN2)C1	91874281	KQSXGPQXZSZJBX-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC1(C)C)C1CCCCC1	94308501	JKJFJHQIVBELPA-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
O[C@@H](CC1CCCCC1)c1ccc(C2CC2)cc1	94523262	XYMZOEPMKYSMCE-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CCCCCCNCC1(CC(C)C)CCCC1	94874024	BTOYSGLQSBJHCK-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCN[C@@H](c1cc(C)oc1C)C1(CC)CCCC1	94900946	DZURXOCAPCZRID-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CCCc1ccc2nc(Cl)c(C(C)C)cc2c1	110311868	CQXUKURUYCDMPB-UHFFFAOYSA-N	247.769	4.964	0	10	BJAE	
CCN[C@H](CCC(C)C)C[C@H](C)CC(C)(C)C	158722608	PUFNXFPEZJXEJD-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C1CCCCCC1	168020531	QHFDAEPYRULEKA-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](O)c1cccc(C)c1Cl	168248869	SRJPWPGVEFCXKP-CYBMUJFWSA-N	240.774	4.652	0	10	BJAE	
C(=C\c1ccc2cccccc1-2)\c1ccccc1	207364782	BBMMUJMDXMJVLF-QXMHVHEDSA-N	230.310	4.962	0	10	BJAE	
CCC(/C=C(\CNC1CC1)C1CCCCC1)CC	211484435	GLCKMAVFCIMJJX-FOWTUZBSSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@H](O)[C@H](CC)CCCC	221155330	ICHLHZRNDDUVPP-ZIAGYGMSSA-N	214.393	4.534	0	10	BJAE	
CCCC[C@H](CCC)NC1CCC(CC)CC1	225973411	PVQRYPALKUIRRP-PCKAHOCUSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)c1cccc(C)c1	229299987	YGJQQBISQAJQBS-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CCCCC[C@@H](C)[C@@H]1CNc2ccc(C)cc21	232955500	TXXQLIQOIGPMHC-HIFRSBDPSA-N	231.383	4.721	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@@H](C)CC(C)(C)C)NCC	233347819	DSDLNNVLRWPSMO-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC(C)(C)C(C)C)CC1	234099449	ZSIYDJAIDFNJBG-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCC(C)(C)C[C@H]1C	251351940	QSYUBISDZJDRTD-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)n1cc([C@H](C)C#N)c2cccc(Cl)c21	260263061	LBBRKUWAOTUJBE-SNVBAGLBSA-N	246.741	4.503	0	10	BJAE	
Cc1cccc([C@@](C)(N)CCC2CCCCC2)c1	302300554	ZPKKPVADSBXJRP-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CC(C)C[C@@H](C)Oc1ccc(C(C)(C)C)cc1	302518221	DGTPPKJZVWTERL-CYBMUJFWSA-N	234.383	4.798	0	10	BJAE	
CC(C)c1ccc(C[C@@H](O)CCC(C)(C)C)cc1	305911843	ISZAQBJXVRKBHD-INIZCTEOSA-N	248.410	4.540	0	10	BJAE	
Cc1ccc([C@H](C)NC(C(C)C)C(C)C)c(C)c1	306085256	JRHDEHBDOLUMKZ-HNNXBMFYSA-N	247.426	4.635	0	10	BJAE	
CCc1cc2c(Cl)c(SC)ccc2s1	306619067	STOQNVGZTGLYPZ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CSc1cc2cc(C)cc(Cl)c2s1	307059709	IJWRQTMUUSIGSU-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)c1ccc(CC)cc1	307984556	AMGIXPNBOISNDE-IAGOWNOFSA-N	248.410	4.745	0	10	BJAE	
Cc1ccc(NCC2(C)CCCC2)cc1Cl	309248908	OCLVZFNKKBSWHG-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCc1ccccc1C(=O)C1CCC(C)(C)CC1	311110035	VAACPNOXXYAFJB-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
C/C=C/C[C@]1(CNC(C)(C)C)CCC[C@H](C)C1	317888051	FFLNNIWVNUGWOW-IXWNZZHASA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CNC1CC1)C1CCCCC1	318114397	VHYPWEYFEPJTGO-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](N[C@H](C)c1ccc(C)cc1)C1CCC1	322398752	RCIMVFMDLBZPQJ-RHSMWYFYSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H](NCCCCCC(C)C)c1ccccc1	383186012	NVTQYWOWGZTMQC-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
CCCC1(C(=O)CC2CCC(C)(C)CC2)CC1	383582883	MIGWFFGEBMMZOC-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC(=O)C1CCCCCC1)c1ccccc1	385120564	KBGXLZIXGIYOOC-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
CCC(CC)(CC)CNc1cccc(C)c1C	395123248	MFNLPIXAUVZUIJ-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CC(C)(C)C(C)(C)NCCCC1CCCCC1	395173597	BECORHWFQVMPIJ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CC1CC1)NCCCC1CCCCC1	395264613	LGBJHRSDKBJBPL-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](O)([C@@H]1CC[C@H](C)[C@@H](C)C1)C(C)(C)C	395312572	BPMDECIOOQSWLU-AYDFFVQHSA-N	240.431	4.636	0	10	BJAE	
CCc1cc(C)cc2cc(C(F)F)sc12	396221225	MDLWYYYYOAGNCD-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CSc1c(F)cc(C(F)F)c2ccsc12	396232503	CMKQESBKANRONE-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCOc1cc2ccc(C)c(C(F)F)c2s1	396246160	PTYIPYXASSBCLT-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCOc1csc2cc(C(F)F)cc(C)c12	396251611	UFOHIXSCAGRZMU-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
C[C@@H](Nc1ccc2sccc2c1)[C@@H]1CC1(C)C	397568228	BQSUUOHJXRXNQX-MFKMUULPSA-N	245.391	4.748	0	10	BJAE	
CC(C)c1ccc(N[C@H](C)[C@H]2CC2(C)C)cc1	397636555	XELKGHORUPPDIT-IUODEOHRSA-N	231.383	4.657	0	10	BJAE	
CCC[C@@H](NCCCC(C)(C)C)[C@@H]1CC1(C)C	397721599	XRHDOBRDZOBPAV-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CCC1CCC1)NCCC	398627998	NIGWOOGRRYZRHG-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1)C1CCCCC1	403440641	ZWDGFIQNTCJCMY-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C)CNc1cccc(SCC)c1	689695109	PQAKSVAQXNOXPP-LBPRGKRZSA-N	237.412	4.647	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@H]1Nc1cccc(C2CC2)c1	690078046	UJAHATBIZDDBNR-LRDDRELGSA-N	243.394	4.801	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C1CC2(CCC2)C1	691921923	WGJYWYBMGBLPBP-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CCC12CCCCC2)[C@@H]1CC1(C)C	693813667	JRYHFWXLCRQJAV-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1C[C@H]1C(C)(C)C	699873639	ALSWYHPHBQPRJE-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](O)C1(CC(C)C)CCCC1	701096313	SXRKZXMVRFGBOE-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)C(C)(CC)CC	701244672	SQPQGOIEVKQZLO-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@@H]1CC2CCC1CC2	704503760	LVTZJVXDSXAKEW-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H]1CCCC12CC2	706283575	ITRXURIUIQUTHM-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
C[C@H](CNCCC1CCCCC1)CC(C)(C)C	709131322	WKZXDPGUAMKRSV-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(N[C@@H]2CCCCC[C@H]2C)ccc1F	709147497	HWEJSTGOOMTAAG-IAQYHMDHSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@H](C)[C@H](C[C@H](C)C(C)(C)C)C(C)C	710767292	PLKVCZDKQGXALL-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C[C@@H](N)c1ccc(C)s1)C(C)(C)C	711213312	XVKIPTAMUCDZCH-VXGBXAGGSA-N	239.428	4.519	0	10	BJAE	
CCCCC[C@@H](CC(C)(C)C(C)C)NCC	713189991	LJSLWBZRFAXTRR-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
C=C/C=C/CCC[C@@H]1CCCCC1(F)F	713701191	NYEOBKAZORKDPX-AAOUONPWSA-N	214.299	4.724	0	10	BJAE	
N[C@@H](CC1CCCCC1)c1ccc(C2CC2)s1	716625325	AMSYHMOVPYTMLZ-ZDUSSCGKSA-N	249.423	4.596	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H](C)C1CC1	718592025	FYGVCKJEODMJPB-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C[C@H](C)CC(C)(C)C	718598935	CPWOYDLXSWFECB-ZFWWWQNUSA-N	239.447	4.913	0	10	BJAE	
CC(C)=C(C)CCc1ccsc1Cl	718703953	ZKMRYXZLZZBZKX-UHFFFAOYSA-N	214.761	4.690	0	10	BJAE	
C[C@@H](C[C@]1(CN)CCC=CCCC1)C(C)(C)C	719016734	AVTULUHXIPINPM-HOCLYGCPSA-N	237.431	4.524	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@H]1CCCCCC1(C)C	719288875	SMHHTQYQTCBFHR-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
C1=C[C@@H](N2CCCCCCCC2)CCCCC1	1307773063	JUSQTHYASVYNRG-MRXNPFEDSA-N	235.415	4.532	0	10	BJAE	
CC(C)[C@H]1CCCN([C@H]2C=CCCCCC2)CC1	1559545931	JVQWICWBSVTQDL-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1CC[C@@H](Sc2ccccc2Cl)C1	1613256954	FXUKXOVAJRHBEU-NXEZZACHSA-N	226.772	4.621	0	10	BJAE	
C1=C(CN2CCCC3(CCCCCC3)C2)CCC1	1653494693	BWVXJVBMUKSTTJ-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
CCc1ccc([C@H](N)CCC(CC)CC)s1	1900695796	GCIRCYNLVIKGMI-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
CCC(CC)CCC(=O)CC[C@@H]1CC1(C)C	1900702960	LIFRCUOUMWTOKS-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC(C)=CCC(=O)c1csc(C2CC2)c1	1900905825	LZMUZCYETPDZIG-UHFFFAOYSA-N	234.364	4.555	0	10	BJAE	
C1=C[C@@H](CC[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	1901143718	KTEKJXSNOWNGFF-UGUYLWEFSA-N	218.384	4.949	0	10	BJAE	
CC1=C(C)C[C@H](COc2ccsc2C)CC1	1904938182	XXEHHNUYPYSNGT-CYBMUJFWSA-N	236.380	4.572	0	10	BJAE	
CC[C@@H]1C[C@H]1CNc1ccccc1SC(C)C	1905723892	YEMCMVGJYKMDPO-OLZOCXBDSA-N	249.423	4.645	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](CC(CC)CC)NCC	1910781589	OFLYQBAHKXRUCS-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CCC(=O)CC1CCCC1	1910807013	BBJJXGLVBHIUQQ-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@@H]1C[C@H]1C1CCCCC1	1910808709	AIVZWNNSQDNEMR-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
CCC=CC[C@H](CC)c1ccc(C)cc1	1911800187	YWWIRIXRZWDNBZ-AWEZNQCLSA-N	202.341	4.845	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@H]1C[C@H](C)CCC	1916014007	JZDSCFGDOVSGLV-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1N[C@H]1CCC2(CCCC2)C1	1916406797	UWRZOFCPYJFNQY-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC(C)CNC[C@@]1(CC2CCCC2)C=CCCC1	1916608659	HNYGGMUCBQJDMZ-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H]1CCCC1(F)F	1919944602	SPPDDLQYUAWVMF-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCC1CC(C(=O)c2ccc(C(C)(C)C)cc2)C1	1921263279	BRROFSSSCBBDBH-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
CC(C)CCCCCC(=O)C(C)(C)C1CC1	1936124355	PCJYNTUQNXJFTP-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCCC1(C)CC1)NC	1940866091	XYOUSUMBWUKSBA-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)CCC[C@H]1CC1(C)C	1940874712	VPTNIYUMXZFLCX-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)C(C)(C)C(C)(C)C	1940877072	ORDHEXMPDXCJCC-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@@H]1CCC[C@H](C)C1)C(C)C	1941265851	YVXUZZOUCRQEKF-ZNMIVQPWSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@@H](CC)C(C)C	1941272493	KVXJEFKZJGFOQN-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CCCCCC2CC2)C1	1941582560	XTIGYONBDRKLFS-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1C[C@@H]2CCCC[C@H]21	1941718159	SFDXYEGQEXCWOS-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1(C)CC(C)(C)C1	1941987644	MBXVBYHVTIHKGV-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCCC[C@H]1NCCC1(C)CCCCC1	1945432265	MCZQOQLRTOHFLT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CCCCCC(C)C	1947463265	OTRUNIUKTLRPDD-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@@H](C)CC(C)(C)C	1947465444	VHMBEJSPDMBAHV-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CCC(C)(F)F)CNC(C)(C)C	1947997128	OJHNGSFLEACJFR-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@@H]2C[C@H]2CC)CC1	1949026549	LCEBIDHTWFGKPM-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@@H]1CCC2(CCCC2)C1	1949495385	HCQHDKGHMFTSJT-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
N[C@H](CCCC1CCCC1)CC1CCCCC1	1949917510	PFUVDXIUYVJEJL-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)C[C@@H]2CCC[C@@H]2C1	1950305124	SYMBZHCVKYWNMM-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(OC)cc1CC	1951308847	PECQZGHNDDBLLC-ZDUSSCGKSA-N	232.367	4.717	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1Nc1ccccc1Cl	1968256817	QSJPIIVZVUAHCA-AAEUAGOBSA-N	237.774	4.577	0	10	BJAE	
CCCC(C)(C)C(=O)[C@@H]1CCCC[C@H]1CC	1976007167	DXYQTXZXAMXMNP-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1(C)CC=CC1	1976661228	XKQLVUDGXYZTGI-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
Cc1cc(Cl)nc(-c2ccc(C3CC3)s2)c1	1980325232	XCKSRWNZPRUCTI-UHFFFAOYSA-N	249.766	4.649	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1CCCCCCC1=O	1980351187	MAZNGYLGFDXQQX-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC[C@](N)(CCCC1CCC1)CCC(C)C	1986936921	GWQMLCNTNZJZMU-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCc1ccc(NCC(F)=C(C)C)cc1Cl	1989651127	BTSPADQTRAYGQP-UHFFFAOYSA-N	241.737	4.578	0	10	BJAE	
CCCCC[C@H](O)C[C@H]1CC[C@H](CC)CC1	1989771956	IQMGEDGAKPVFSR-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)C(C)(C)CC	1990100604	SVYHATABDYMOSM-UONOGXRCSA-N	227.436	4.760	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@@H]1C=CCCCC1	1990987541	NIHBZDWJNVSZKV-CYBMUJFWSA-N	236.742	4.526	0	10	BJAE	
CC[C@@H](C1CCC(C)(C)CC1)[C@@H](O)CC(C)C	1996552515	MJOFHVBHQASQMZ-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CC[C@@](N)(CC[C@H]1CC1(C)C)C1CCCCC1	1996592933	DUAHFPFKJLETOB-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CCC=C(C)C)CC1	1997116167	JMEVXVQIFXGUHV-OWCLPIDISA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)[C@H]1CCC[C@@H](CC)CC1	1997116316	JVEFRASPQRPWCT-ARKGTOAJSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@H]1C=CCCC1	1998378204	SDNPQWWBJFADMX-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CC([C@](C)(N)CCC2CCCCC2)C1	1998658632	TXMQXNRRCRJJCQ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
C[C@H]([C@@H](N)C[C@H]1CCC=CCCC1)C(C)(C)C	1999988542	RHHAEMGTYYKVEY-ILXRZTDVSA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)[C@H]1CCCC(C)(C)C1	2000054631	AWAAJKFTEIXAPT-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)c2cccc(Cl)c2)C1	2000191226	ZCVRXAIYEALHTL-GWCFXTLKSA-N	248.753	4.515	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CCC1CCCC1	2000294555	VRVONPMSXQHKNW-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CN[C@H](C1CCCCC1)C1(C)CCCCCC1	2000336159	ONSIYUHAYNUBEH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](C)(CNCC(C)C)C[C@H](C)CC	2000522038	AGVNIGIRPLBBOR-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)CN(C)[C@H]1C[C@H](C)CC(C)(C)C1	2000899031	VCSXZRPQNCWWSM-ZFWWWQNUSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@]1(CNCCC)CCC12CCC2	2001854628	ONQWWKYSMGMOHD-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CCCC1CCC([C@](C)(O)C(C)(C)CC)CC1	2002925802	UISSLIIFGGEWGG-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)[C@H]1CCC[C@@H](C)C1	2003023687	YPKYCBKIKFCPMG-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](O)CC2(C)CCCC2)C1	2003175017	ISNLROQQIJKXDJ-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H]1CC[C@@H](C(C)(C)C)NC1	2003924976	HPACYVFUDFTLKA-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H](C)C(C)(F)F)cc1	2009079601	XIGPNRJQLCJSEZ-WDEREUQCSA-N	241.325	4.656	0	10	BJAE	
C/C=C/CCC[C@H]1CCC[C@H]1CNC(C)(C)C	2009612050	QMCNLVXFZFYCOA-WHJWBVKISA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(N)(CCC[C@H]2C[C@H]2C)CC1	2011576366	LDJUUQRDTYFBJA-QVOMUQBLSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@](CC)(C(C)C)[C@H](C)[C@H](C)CC	2012414423	VVIQXPJUDZYYBH-BZUAXINKSA-N	241.463	4.721	0	10	BJAE	
CCc1cccc(N[C@@H](CC)CCC(C)C)c1	2013262563	BZCXAVITHGVEKP-HNNXBMFYSA-N	233.399	4.876	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(O)C2(C)CCCC2)C1	2014325890	MZZCAPBFMTUZQY-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H](C)[C@H]1CCC1(C)C	2014942124	KGXMKDJMWNSNAH-ZQDZILKHSA-N	239.447	4.616	0	10	BJAE	
CCCNC[C@H](CC)CCC(C(C)C)C(C)C	2015343718	GCQIQQRQIJZHBC-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
CC(C)NCCC=CCCC(C(C)C)C(C)C	2015359953	YXXFMJZHDUKCNA-UHFFFAOYSA-N	239.447	4.639	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC1(CCC)CCC1	2015634996	UXAZVORBGWVYDE-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@H](C)C(C)(C)C)CCC1	2015640443	RXVUPOIPILQQGO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CCC1CCCCC1	2016149125	GLLUJXWWFBDSNG-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@H](NCCC)C(C)(C)CCF	2016758980	DNWNERCUHQEEIC-AWEZNQCLSA-N	245.426	4.711	0	10	BJAE	
CC1(C)CCC[C@@H](NC2(C(C)(C)C)CCC2)C1	2017096999	BWAGWYRKMJJOOZ-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CC(C)C1(C[C@](C)(O)C2CCCCC2)CCC1	2017112592	PNFAUJRHOHNNSM-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCNCC1(C(C)(C)C)CCC1	2017138507	KPWJGUWYSZYKQB-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC(=O)[C@@H]2C)CC1	2017776587	QWXOQWZXBWHKQB-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC(=O)[C@H]2C)CC1	2017776588	QWXOQWZXBWHKQB-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CC(=O)C(C)(C)C2CCCC2)CC1	2018944365	LCUVCENXACTXAL-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC1(C[C@]2(O)CCC[C@@H](CC(C)C)C2)CC1	2018968308	SMLHWSJAYQJPGI-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CCC[C@H](CC)C1	2019203645	QQVASOPPYKQDOZ-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CCCN(CCCC1CCC1)C1CCCCC1	2020537239	KLGCKCSVOAFSTF-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC1(O)CCCCCCCC1	2022452465	XEJNJRKMUPFVFF-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1Cn1ccc2cccc(Cl)c21	2022546779	KJKZIQSYLRLSSQ-CHWSQXEVSA-N	247.769	4.587	0	10	BJAE	
CCC(CC)C[C@H](CCCCC(C)(F)F)NC	2023294221	GUIRXUDWFYGCOW-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCN[C@@H](CCCCC(C)(F)F)C[C@@H](C)CC	2023298199	XRWIPKVEXNTEOA-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)CC=C(C)C)CC1	2023319022	LDGUPSKHMSUZHK-SHTZXODSSA-N	236.399	4.908	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC(C)(C)C(C)C	2023334975	CPRNFORJNZIFMW-HNNXBMFYSA-N	239.447	4.783	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](O)CCC2CCC2)C1	2024115543	FPTMAMKJJFWYMW-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)C[C@H]1CCCC(C)(C)C1	2024126760	ZBVRJMMZGKHRQD-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1CCC[C@@H](C)C1	2026083115	XVQVDQAVBMEQMO-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1C[C@H]1Cc1nc(C2CCCCC2)cs1	2026597096	JUZMCVGGUYPICZ-AAEUAGOBSA-N	249.423	4.779	0	10	BJAE	
CCCN[C@H](C=C(C)C)c1ccccc1C(C)C	2027518064	NMHALDDOAVGKFN-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)c1ccccc1C	2027731512	DPACBMOHXHUHIG-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC1(C)CCCCC[C@H]1NCC1CCC=CCC1	2028906210	SIYFQLYSBWSLQQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)[C@@H](O)c1ccc(C2CCCC2)cc1	2031747292	VNWGYSPNTGHRJY-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
CC1(CCCNc2ccc(C3(C)CC3)cc2)CC1	2032242631	KJIGTKAKRPWUIG-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
Cc1cc(C(=O)C(C)(C)C2CCCCC2)c(C)o1	2032295794	KXLPHXIOOZTUMW-UHFFFAOYSA-N	248.366	4.686	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@@H]1C(C)C	2035401732	YZZHYRAMYNJRII-HZPDHXFCSA-N	245.410	4.794	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)c1c(C)coc1C	2035532977	RNGUVMPKSPPXJJ-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C=CCCC1)C1CCCCC1	2035566429	UGAURDPSYSUWRS-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CCCC[C@H]1C	2035577472	ZMIYFBWTBMRXEZ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](C[C@H]2C=CCCC2)C1	2035599543	NDLYEECWEOIACZ-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CCC(N)(CC2CC3(CC3)C2)CC1	2036724546	NISSJPSTPOVFTO-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@](C)(N)Cc1ccccc1C(C)C	2037179171	IAYGRZPLAGUCMH-KRWDZBQOSA-N	247.426	4.650	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(CC2CCC=CCC2)C1	2037208333	VGROZWPVDZZFOE-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](N)CC1CC2(CCC2)C1	2038087532	JANDSWUERTXCKL-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@@H]1CCC2(CC2)C1	2038567102	HPKSZRMHYPKUSK-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1C[C@@H]2CCC[C@@H]2C1	2038622644	ODNLKVGKANNCEQ-MUJYYYPQSA-N	243.394	4.548	0	10	BJAE	
C[C@@H](C=C1CCC[C@@H](CCN)C1)C1CCCCC1	2038863193	VBHQCUCXUJRCMO-GJZGRUSLSA-N	249.442	4.668	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)CC12CCC(CC1)C2	2039415701	NTASYHRUKSPGID-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@@H]1C(C)=CCC[C@H]1C	2039439135	XOYRWZIUTUWVGK-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1c(C)cccc1F	2039446227	FGQMYUYCQYXUOJ-JSGCOSHPSA-N	247.357	4.538	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)C2CC3(CCCCC3)C2)C1	2040150409	RHCDZTACDMONDC-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2CCC=CCCC2)C1	2045313080	URYOFBPMOCGQAX-PMPSAXMXSA-N	248.410	4.908	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCC[C@@H]2CC2(C)C)C1	2045561058	CTDFYFGKHSAXKP-AEGPPILISA-N	248.410	4.764	0	10	BJAE	
NC1(C2=CCCCC2)CCC2(CCCCC2)CC1	2045665332	GFCFQTXKIUHVEJ-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
C[C@@H]1C[C@]1(C)CNC1CCC2(CCCCC2)CC1	2045668946	YBNRUCAENLGLDH-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
NCC[C@@H]1CCC[C@@H](C[C@@H]2CC23CCCCC3)C1	2047005545	UQROGHKWCDUDSO-ARFHVFGLSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@@H]2CC23CCCC3)C1	2047009243	QCKHPQBOHJMPLK-BZUAXINKSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@@H]2CC23CCCCC3)C1	2047051101	BGGLENWFHFEHMO-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@@H]1CCCC12CCC2	2048868131	DPURYDPURNRVNT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCCN(C)[C@H](C)[C@H]1CCCC(C)(C)C1	2049508728	MXMOJTNWVAPTHP-CVEARBPZSA-N	249.442	4.655	0	10	BJAE	
CCC1(CNC[C@H]2CCCC3(CC3)C2)CCCC1	2049846612	VBDOGVPVXHNXAS-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@]2(C)C=CCCC2)cc1	2049998585	WOFUGKFXUFWHSY-DLBZAZTESA-N	243.394	4.556	0	10	BJAE	
CCN[C@H](CC=C(C)C)C1CC2(CCCCC2)C1	2051401021	KZTYKHUECQALRY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1([C@H](N)c2ccccc2F)CCCCCCC1	2052474707	CSKVKAPHJBQLBC-OAHLLOKOSA-N	249.373	4.576	0	10	BJAE	
CCNC[C@]1(CCC2CCC2)CCCCC12CC2	2053352325	ALVQCRTXKQLFRZ-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2CCCCC23CC3)CC1	2053358169	OJACOBJWAIAWHN-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC=C[C@H]1Nc1ccc2ccccc2c1	2055577151	XAFQNMGLUSAXLB-SUMWQHHRSA-N	237.346	4.606	0	10	BJAE	
CCNCC1(CCC=C(C)C)CCC2(CC2)CC1	2056559307	RDWYQIVCEJBPMI-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@@H]1CCCCC12CC2	2059172866	PFYVDFCIVWQBKV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H]2CCC[C@@H](CC)C2)CC1	2061098424	JCROOEMWMHCQKQ-JHNDHUHGSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@@H]1C[C@H](CC)CC[C@H]1CNCCC	2061564212	XCDWSROSXLXUSF-ZACQAIPSSA-N	249.442	4.550	0	10	BJAE	
CC[C@@](O)(CC1CC(=C2CCC2)C1)C1CCCC1	2061685371	QFYCYYSBPNTZFU-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@H](O)CC2CC(=C3CCC3)C2)CCCC1	2061687788	IPELJDYQHBXIRJ-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@H](C)NC1CC2(C1)CC21CCC1	2064111983	XNPPMVADYFIJEP-UQPPLGOBSA-N	249.442	4.658	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)CC12CCC(CC1)CC2	2065274407	IFGSUVQHJUTENL-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CC1(N)CCC2(CCCCCC2)CC1	2065896141	CNQWXQKIIJBXMM-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@H]2CC23CCC3)cc1	2069168858	TXGXVWZXTPOPHD-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)C1(CC2CC2)CC1	2069511777	UJUAUYUBRRMGFL-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1coc(C)c1[C@H](N)CC1(C(C)(C)C)CCC1	2071943993	SFUIDYRSAHDCCN-CYBMUJFWSA-N	249.398	4.503	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1CC2(C1)CC21CC1	2073340980	IKVPPMMYNMIHLV-PREGVCBESA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@@]12CCCC[C@@H]1C2	2074027263	ZMJYARMQHRRNDR-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCCCN1[C@H]1CCC12CCCCC2	2075010209	HKIKBJXWRGRNHZ-CVEARBPZSA-N	249.442	4.610	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1COc1ccc(C(C)(C)C)cc1	2079812865	JJZLNKRAPLPDEQ-CJNGLKHVSA-N	246.394	4.655	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H]1C[C@@H]1C1CCCC1	2081794200	ZTFBHVDTFFDHHB-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]32)C1	2082981173	BENSHGBJCIXQGX-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(CN[C@H]2CC=CCC2)CC(C)(C)C1	2082987251	PTHBAEZXXVHRHH-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](N)[C@H](CC2CC(C)(C)CC(C)(C)C2)C1	2082988963	XXBITKVUYBJREC-GJZGRUSLSA-N	249.442	4.523	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2c1ccc(C2CC2)cc1	2089009347	GQQROPDCXHNRRT-INIZCTEOSA-N	249.357	4.512	0	10	BJAE	
CC(C)C1CC(C/C=C/c2ccccc2)C1	2210661995	IEVGUQDAKIHECC-RMKNXTFCSA-N	214.352	4.772	0	10	BJAE	
CC1(C)C(C/C=C/c2ccccc2)C1(C)C	2210662428	OFVIDXDCNQHWCD-DHZHZOJOSA-N	214.352	4.772	0	10	BJAE	
CC1(C)C(CC=Cc2ccccc2)C1(C)C	2210662429	OFVIDXDCNQHWCD-UHFFFAOYSA-N	214.352	4.772	0	10	BJAE	
CCC[C@H](C)[C@](C)(CCC)CN[C@@H](C)CC	2212580606	QEZQMMWZHHUULY-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@@H](C)CN(C)CCCCCCC1CC1	2213578858	ASPYBIGDESCWDH-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H]1CCCN1CCCCCCC1CC1	2213583381	RFWYJWJNNIUCAR-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
CC1=CC[C@](C)(CNCCCCC(C)C)CC1	2215820426	DNYBSCTVHXYGOA-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC1([C@@H](N)CCCCCCCC2CC2)CCC1	2216878505	CVHJCTDIGAZVOW-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C)NCC(CC)(CC)[C@@H]1CCC1(C)C	2217126864	VAJAKIYLXHKJAY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@]1(CN[C@@H](C)CC)CCCC12CCC2	2217134309	CJXFHFBAYIIDJU-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
O=C1CCCC[C@@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218375062	SHBAPPCXHGIGJS-FZKCQIBNSA-N	248.410	4.742	0	10	BJAE	
C(CCCN1CC[C@H]2CCCC[C@H]21)CCC1CC1	2218731277	JOQHVAHZBJDRIF-IAGOWNOFSA-N	249.442	4.611	0	10	BJAE	
O=C(CCCCCCC1CC1)C1(C2CCC2)CC1	2218733716	XPDWYEDPQLJMOO-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCCC[C@H]1NC1CCC(C2CC2)CC1	2218897160	RQKCPFWMCNAMCL-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)CC=Cc1ccccc1	2219088796	UXUCYMLWKQVGSS-CVEARBPZSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1CC)c1ccco1	2220873866	HCJWFXXDMJWTAP-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	2220964087	VHKJFVCRFFKPGR-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2C[C@@H]2C2CCC2)CC1	2221642520	GLWUFLVHJXLPSC-UXLLHSPISA-N	246.394	4.518	0	10	BJAE	
CC1CC(C(=O)C[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2222953738	DUCVPICPPLSUJM-PQARUHEFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCC=C(C)C)NCC	2244775831	RQHOADNGFMNJQW-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)c1csc(C)c1	2244778966	BZNPYNSKWDWKMP-OCCSQVGLSA-N	239.428	4.533	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)CC(C)C	2244840491	JXXQESNEPHROFM-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC1(C)CC(C)C1	2246583462	GAVXKADCUCKSQI-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1(C)CC(C)C1)NC	2246586548	RHFDLHOGJFBAOT-PYBGIAKNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(=O)CC1CC2(CCCC2)C1)C(C)C	2246816923	AJTVEQFOFQCBKF-CQSZACIVSA-N	236.399	4.598	0	10	BJAE	
CCCc1ccc(C(=O)CCC=C(C)C)cc1	2248171534	IECSLBXYYFBUFG-UHFFFAOYSA-N	230.351	4.568	0	10	BJAE	
C[C@H]1CCCC[C@]1(O)CCCCC[C@H]1C[C@H]1C	2248870394	MBDHJRMDHZVUHY-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2250360254	HAEASTAWGBZHDS-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(N)CC1CC1	2250466116	AJAGQRKLXQLKIV-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCCNCC1	2250514719	RVDFIIJXMYCWFP-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)C(=O)c1cccc(C2CCCC2)c1	2251220904	JUEMZPUSZVJHJD-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC(C)(C)NCCCCC1CC(C(C)(C)C)C1	2251535595	OCUIQYDQVLBURT-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@@H]2CCCCC23CC3)C1	2253790075	DZBHDKOLLQGTAH-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C2(C3CCC3)CC2)C1	2253938704	NIHOWVLHQDJDQY-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
N[C@H](C[C@@H]1CCCC12CC2)C1=CCCCCCC1	2255230815	ZOQLHOSCHZLNMN-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC(N)(CC[C@@H]2CCCC23CC3)CC1	2255328551	JHKBXWXAIWOBKS-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C[C@@H]1CCCCN1)C[C@]12CCCC[C@H]1CC2	2260652430	RKHOHUTWTGFBOU-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@@]12CCCC[C@H]1CC2	2260655600	DBEMBEAQSMKYQM-XIRDDKMYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC([C@](C)(N)C[C@@]23CCCC[C@H]2CC3)C1	2260680099	VTVAGWSBKZLKPK-XKQJLSEDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CN[C@@H](C)CC)C[C@@H]1CCC[C@H]1C	2298224995	KWTRDUFEJBOASW-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C[C@@]12CCCC[C@@H]1CC2)NCC	2298708662	URVGPUFMGMFNGG-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CCCC12CCC2	2300704349	QGUMLITWFLNWLL-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCC(CC)(CC)CNC(C)(C)C	2300861683	VCPYANALBXJYJU-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
CC(=CCCc1ccccn1)CCCC(C)C	2300864906	GXWOZYNRACAHDJ-UHFFFAOYSA-N	231.383	4.787	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C1(C)CCCC1	2300869682	LTUSHMSEPQVSPW-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(=CCC(=O)C1CC(C)C1)CCCC(C)C	2300921413	PKQBQFUEKCSRHJ-UHFFFAOYSA-N	236.399	4.764	0	10	BJAE	
CCCC=CCNc1cc(F)ccc1C(C)C	2301916630	GITOSUDLGWUFIA-UHFFFAOYSA-N	235.346	4.717	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)CCCCC1CC1	2302573482	FLSISSOKTNUNHB-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
CC=C(CC)[C@H](CCCCC1CC1)NCCC	2302580185	QEVACYTUAJXFBO-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H]1CCC(C)(C)C1	2302676264	SXEYHFKFGKKUAH-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCCC[C@@H]2C[C@@H]21	2302836698	OISWWGYUXMWWGI-OSAQELSMSA-N	249.785	4.639	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H]1CC(C)(C)[C@@H]1C	2303254738	QHHYRWROGSVHNG-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1CC[C@H]1C(C)(C)C	2303460861	FAOGNYVMDKWDNK-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](O)C[C@@H](CC)C(C)(C)C	2303568106	OEJJQRLEAUCJMM-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC)CCC[C@@H]1CCC(C)=C(C)C1	2303576015	RGDXAQAYDWOBQJ-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](C)[C@H](O)c1cc(C)ccc1C(C)C	2307511935	FGKPBZBMMUPBGN-CJNGLKHVSA-N	234.383	4.588	0	10	BJAE	
CCC(C)(C)CNc1cccc(C(C)C)c1F	2307550972	LAQWFYIVMJQTOZ-UHFFFAOYSA-N	237.362	4.797	0	10	BJAE	
CCCC(C)(C)c1nc([C@@]23CCC[C@H]2C3)cs1	2307702597	XDSDPWGBWKLROO-XHDPSFHLSA-N	249.423	4.662	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CCCC(F)F)NCC	2307894787	NSNVJAJKGBCKKD-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)c1ccccc1	2307897847	FKIJAUSTYYIWGI-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2307907207	KJTPXWHCZLCOHA-NYTXWWLZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)C1(CC)CCC1	2307909038	SBWKJSHUAMHZEC-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@H]1C)[C@@]1(C)C=CCC1	2309424749	ZOFRJYUUIPJUEA-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC[C@@]23CCC[C@@H]2C3)C1	2310379954	LCTAELAXLMQVSQ-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCCC1	2311608794	YVEKDPYLCSSXKK-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCC1(N)CC2(C[C@H]3CC[C@H]2C3)C1	2316263754	HSWQZZSIUCQZDF-JUVOFCAFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CC12CCCCC2	2316503801	RNPSKNZVQUHVEN-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1C[C@H]2CC[C@@H]1C2	2316507925	GXTUADJAKKHYAJ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCCCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316752599	PREOZSNWBWMLLW-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@]12CC[C@@](N)(CC3CCCCCC3)[C@@H]1C2	2316884842	KATOENQRXJMYMO-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317159493	ZBIRVUUIFHUDJP-KFWWJZLASA-N	248.410	4.764	0	10	BJAE	
CCCc1ccc([C@H](O)[C@H](C)[C@@H](C)C(C)C)cc1	2317826656	GJSZGGFLKLFXKF-JJRVBVJISA-N	248.410	4.601	0	10	BJAE	
C[C@@H]1[C@@H](C(=O)C[C@H]2CCCCC23CC3)CC1(C)C	2318249225	VUPAUCWZNQWDTA-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CCCC2=CCCCC2)C[C@H]1C	2318565624	NRNNOEWIJZKWKJ-INMHGKMJSA-N	249.442	4.811	0	10	BJAE	
C1=C(CCCN2C[C@@H]3CCCCC[C@@H]32)CCCC1	2318576237	NCLJNVIUKTZXHR-IRXDYDNUSA-N	247.426	4.532	0	10	BJAE	
CC(C)c1cccc(C(=O)CCCCC2CC2)c1	2318875907	ICDBGCOBSDRPJI-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC[C@H](C)C(=O)[C@@H](c1ccccc1)C1CCCC1	2319603517	QVKVZCCVABYJOU-BBRMVZONSA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC[C@@H](N)c1ccccc1	2320256834	SFQIHMVWAHMXNG-NUEKZKHPSA-N	245.410	4.539	0	10	BJAE	
CCCCC[C@@H](NC)c1cc(C)ccc1C(C)C	2327656847	FXDXNLZGEQMMNX-QGZVFWFLSA-N	247.426	4.959	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@]2(C)C=CCC2)c1	2327782466	QGCVMQQFVVRWNK-QGZVFWFLSA-N	242.362	4.657	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CCc1ccc(C)cc1	2328270479	ZRRSGBXCFHBRBM-OAHLLOKOSA-N	246.394	4.713	0	10	BJAE	
C(=C/c1ncc(-c2ccccc2)o1)\c1ccccc1	4257787	GVUCQXXIFUSPLQ-VAWYXSNFSA-N	247.297	4.512	0	10	BJAE	
CCC[C@@H](O)c1ccc(C2CCCCC2)cc1	36162779	KKDRTXNXZRHGEI-MRXNPFEDSA-N	232.367	4.568	0	10	BJAE	
CCCCCC[C@](C)(CCC)CNC1CC1	71127805	JYBSAFCPBQFZNN-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCCCC1(CNC(C)C)CCCCC1	82441792	JRPIQIPFOIOTDL-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCN[C@H](C)CC(C)(C)[C@@H]1CCCC[C@@H]1CC	84416606	LZUVQWLWRPLOSB-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](Oc2ccccc2C(C)(C)C)C1	85151830	NFMXVRQCWAJGNL-KBPBESRZSA-N	246.394	4.942	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)c1ccc(C(C)C)cc1	92596535	PPRILGPNBYJOQG-WMLDXEAASA-N	247.426	4.692	0	10	BJAE	
CC[C@H]1CC[C@@H](CC)P1C1CCCC1	96838052	IYMZIOPOOBFXBE-ONXXMXGDSA-N	212.317	4.762	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)C(C)(C)CC)cc1	104046181	RVIQTDWHWZYVSZ-IUODEOHRSA-N	234.383	4.670	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1ccc(C)cc1	109708452	KOOVNIFNONQXJM-CQSZACIVSA-N	232.367	4.784	0	10	BJAE	
CCCCC[C@H](C[C@H](C)CC(C)(C)C)NC	125423130	FVQOXLBLMLIZMQ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC1(C(=O)c2cccc(C3CCC3)c2)CCCC1	128725654	MZXWZACPLYLRTP-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C[C@H](C)CC	133413321	JRUMVMSBTFGLSS-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](Oc2ccc(C(C)(C)C)cc2)C1	145656109	ZXICRTAUCVZQOS-SWLSCSKDSA-N	232.367	4.552	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1cc2ccccc2o1	159213225	KJJFJVDCVXNSNY-LRDDRELGSA-N	246.350	4.683	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C1(C)CCCC1	162754007	YTJCIGVPZWKJLO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(=O)C[C@@H]1CCCc2ccccc21	164359683	AMBXPQIUINDEIM-HNNXBMFYSA-N	244.378	4.646	0	10	BJAE	
CCN[C@H](C1CCCCCC1)C1(C)CCCC1	229151699	ROXJMSAFQJTHND-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@H](N)c1cc(C)cc(C)c1	229493233	NAAAZNUNZUEYMS-INIZCTEOSA-N	233.399	4.520	0	10	BJAE	
CCCC[C@@H]1CNc2ccc(C(C)(C)C)cc21	233000162	JPQOJTCQJXSPMZ-GFCCVEGCSA-N	231.383	4.683	0	10	BJAE	
CCC(C)(C)CN[C@H]1CC[C@@H](C)c2ccccc21	233002743	GWAIZOVHIFKAQT-CJNGLKHVSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H](CC)Nc1c(C)cccc1Cl	233288661	HMFZXIQZHBVSOM-LLVKDONJSA-N	225.763	4.639	0	10	BJAE	
CCC[C@H](C)[C@H](CNC(C)C)C1=CCCCC1	233345896	RWFQINDKGOVUBD-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCSc1ccccc1NC1CC(C(C)C)C1	233819941	KIQUQMUYNSEOPB-UHFFFAOYSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](C)c1c[nH]c2ccc(C(F)(F)F)cc12	234024156	SZFWMXRFNMYCPW-QMMMGPOBSA-N	241.256	4.700	0	10	BJAE	
CCCCC[C@@H]1C[C@H](CC)CC[C@H]1NCCC	250841361	XZDUFPQDYZOHSH-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@H]1CCCC(C)(C)CC1	252154664	NCEIZANGRWPOFL-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](N[C@H]1C[C@H]1CC)c1ccccc1	300581948	DBBISHDEJXWULZ-PVAVHDDUSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cccc(C)c1Cl	300905033	QVGIRUYIZAVPTG-NEPJUHHUSA-N	237.774	4.639	0	10	BJAE	
Clc1ccc2ccn(C3CCCCC3)c2c1	303684962	GEOOXALKLLIZLP-UHFFFAOYSA-N	233.742	4.800	0	10	BJAE	
Cc1cccc(Cl)c1NC(C(C)C)C(C)C	304403593	BPWXUSAJNHJUAG-UHFFFAOYSA-N	239.790	4.741	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CCC2CCCC2)C1	305896551	LISBYWBHLBYYHM-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CCc1ccc(NC[C@@H]2CCC[C@@H](C)C2)cc1C	305947785	CIHSRTLYPAVJKU-UKRRQHHQSA-N	245.410	4.796	0	10	BJAE	
CSc1cc2ccc(Cl)c(C)c2s1	307132036	VCBNKDXCMGPIIF-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CCC1CCCC1	308031680	OUILNWPUYHRJCI-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)c1ccc(C)s1	308050936	GSIBNZMLPGOVEN-OCCSQVGLSA-N	239.428	4.519	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CC1(C)CCC1)NC	308059857	TYYXBQBQFVCZAF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CNCC(C)(C)C2=CCCC2)CC1	308752696	CZRWCIZFUVYCKU-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC1CCC(C[C@H](C)CCNC(C)(C)C)CC1	310548238	VQUCVOZCCLZRIT-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
Cc1oc(C)c(C(=O)C[C@@H]2CCC[C@H](C)C2)c1C	311026162	RWCRHBMZSOKPLS-IINYFYTJSA-N	248.366	4.604	0	10	BJAE	
CC[C@@H](C)c1ccc(O[C@H](C)C(C)C)cc1	319546149	IXWMMYMEIDXSQC-CHWSQXEVSA-N	220.356	4.623	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@@H](C)[C@@H](C)CC	319612911	MKCQYBLETRFFER-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1ccc(C(C)C)cc1	319782123	HBTOBGYIQNKXPL-QWHCGFSZSA-N	232.367	4.675	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)c1cccs1	383265007	MKNMTLKDZYCODF-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CC(C)CCCCC[C@H](O)C1C(C)(C)C1(C)C	383273785	ZKFLGOLNWHVYMY-ZDUSSCGKSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCCOc1ccccc1Cl	383327419	YRLCJVBINFOUMO-UHFFFAOYSA-N	240.774	4.935	0	10	BJAE	
C[C@H](C[C@@H]1CCCC[C@H](N)C1)C1CCCCC1	383645026	HTOBORISASUQNC-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CCC1=CCCCC1	384974051	PQZODYFVTWPKJG-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@@H]1CCC12CCCCC2	385117673	JTTNCOZLYRTSOZ-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCC1(NC[C@H]2CCC[C@@H](C)C2)CCCCC1	389491370	SLGYCPJCBFDDAG-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCC23CCCC3)[C@@H]1C	392748932	BNUYRNQYTGWEFO-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@H](CCC2CCC2)Nc2ccccc21	398628088	IRFSPYIUXWFZMR-JSGCOSHPSA-N	229.367	4.555	0	10	BJAE	
CCNC[C@@]1(CC2=CCCC2)CCC[C@@H](CC)C1	401070134	JDFSWXNIKAPGRI-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC1(C)CC1)NCC	401567537	QMJLQSNOKLRZQI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](O)c1cccc(C(C)C)c1	688924056	BUUALWBROMJTAC-INIZCTEOSA-N	234.383	4.814	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CCCC[C@@H]2C)c1	689616535	ZIMJGEZYNAKILZ-BBRMVZONSA-N	245.410	4.802	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC(CC)CC	690188665	XSKYIBZMGTZDDR-UHFFFAOYSA-N	233.399	4.720	0	10	BJAE	
CCC(C)(C)CNc1cc(C)c(Cl)c(C)c1	690248614	YINPYKWMKAEEFF-UHFFFAOYSA-N	239.790	4.805	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)CC1CC=CC1	692065012	MYMCDRLBUCRFRE-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@@]12CCC[C@@H]1C2	693141248	AOFOFARVHQJUIS-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCC12CCCC2	694416763	JOVCCWLMVCHLLG-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1c(C)cc(C)cc1C	696591259	CJRMDTAAISHRIZ-OAHLLOKOSA-N	247.426	4.828	0	10	BJAE	
CCc1cc(NCCC(C)(C)CC)ccc1F	696716817	BPJFPPHXDPDDLB-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CC(C)(C)C1CC1	697810622	OZTAUICSFXBHIV-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@@]1(C)CC[C@H](C)C1(C)C	699079332	APMCBWJPIQNQPK-HEHGZKQESA-N	238.415	4.700	0	10	BJAE	
CC(C)CCCCNc1ccc(Cl)cc1F	703992019	TWKARNLSWKVUCC-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CC2CCCCC2)C1	704887724	GTSWDJKDNKUSTO-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](C)(N)CC1CCCCC1	704892517	YNOPDSMHITVLKQ-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2CCCC23CC3)cc1	706593038	AOSINKPSVXFCOG-CZUORRHYSA-N	243.394	4.945	0	10	BJAE	
CCN[C@H]([C@H](C)CC(C)(C)C)[C@H](C)[C@@H](C)CC	708284100	QRTDMRKJKQQTIO-GBJTYRQASA-N	241.463	4.719	0	10	BJAE	
C[C@H](NCC1(C)CCCCC1)[C@@]12CCCC[C@H]1C2	709151473	CVWYJMMQEHFEEX-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C[C@H](C)CC(C)(C)C	709190715	SHBMJPNCJXNELF-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C(C)C)[C@H](N)C[C@@H](C)CC(C)(C)C	709210106	CWANTOJINIDHNM-ZIAGYGMSSA-N	241.463	4.704	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@@H](C)CC(C)C)c1	709235595	OMJNUDGUZKCCDV-AWEZNQCLSA-N	246.394	4.750	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cc(C)c(N)cc1C	710673782	KBGSLMBPWLMPSR-CQSZACIVSA-N	248.414	4.656	0	10	BJAE	
C[C@H](CC(=O)C12CCC(CC1)C2)C1CCCCC1	711120170	MJFNCRZJEUTYGW-TUBUQKNSSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1C[C@H]1C1CC1)C1CCCCC1	712900853	YLSIUJJBGTZZIH-VMGRFDJRSA-N	248.410	4.598	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)c1coc2ccccc12	713133414	YCVJVUUQESZTBI-CQSZACIVSA-N	245.366	4.505	0	10	BJAE	
CCCCC1CCC(CN)(CC(C)(C)C)CC1	713134895	REFFFYQXCZJCPU-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@](C)(CNCC(C)C)CC(C)(C)CC	713252459	VAQKDKJDJOTXNH-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
C=C/C=C\CCCC(C)(C)c1ccccc1	713661021	WJTLRJMIJDZKSX-WAYWQWQTSA-N	214.352	4.877	0	10	BJAE	
C=C/C=C/CCCC(C)(C)C(F)(F)CC	713678042	LTAKEVHGAPISQP-BQYQJAHWSA-N	216.315	4.970	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)C(C)(CC)CC	713734293	KLMNGEFVOSTEHU-AUECHBEKSA-N	237.431	4.703	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCCC(C)(F)F	718691603	QLQKGAFEPIKOAT-GFCCVEGCSA-N	248.357	4.843	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(CO)CCC=CCCC1	719062356	CHJMSQQKJRAHMN-CVEARBPZSA-N	238.415	4.558	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@]2(N)CCCCCC2(C)C)C1	719196619	DOUCPKPFAMYHIE-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C1(C)CCC1	720717039	PGNQLOUJEDZJIK-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CC2)C1CCCCCC1	722634176	VJGZTPURUFNFSX-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1C[C@@H]1C)NCCC	722691729	BNRBIEQWZHIGGH-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CCC[C@@H]3C[C@H]32)n1	821965095	KBGOQBMOXKMMHR-IRCOFANPSA-N	235.396	4.560	0	10	BJAE	
C=C/C=C\CCSC1CCC(C)(C)CC1	1473016619	ARDBKZHECZLTSI-WAYWQWQTSA-N	224.413	4.821	0	10	BJAE	
C=C/C=C\CCN(c1ccccc1)[C@@H](C)C(C)C	1620575404	OXWJUNDVQMAYAG-WLMCBFPDSA-N	243.394	4.670	0	10	BJAE	
C/C(=C/Cl)CSCCCc1ccsc1	1641086903	LPHDYOQDVDMTDM-YFHOEESVSA-N	246.828	4.557	0	10	BJAE	
C[C@@H](NC1CC2(CCCC2)C1)C1CCCCCC1	1652139125	CGPYLFVXZNDEEP-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
C1=C(CCN2CCCCCCCC2)CCCC1	1654469967	OZMAYDHFNKMEIT-UHFFFAOYSA-N	235.415	4.533	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@@H](C)[C@H](C)C(C)C	1901682094	KXAUNYXXELBRMR-NEPJUHHUSA-N	240.774	4.708	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CC=C(C)C)NCC	1905444962	NWIHGHRWGXKRST-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](N)CC1CCCC1	1905454728	UWBVYONSVKVYHR-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@]1(C)CCCC(C)(C)C1	1909697434	KAEWRWVZXSPZRX-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H]1CCCC[C@@H]1C	1911794548	NZBUVOBPIKIDDU-BBWFWOEESA-N	249.442	4.703	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNC(C)(C)C)C=CCCC1	1916568070	HAQKBBJVYLUMGW-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CCNC(C)(C)C)C[C@H]1C=CCCCC1	1925890394	FIIPGXXRTCHJFG-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](C[C@H]1C=CCCCC1)NC	1925900140	CXHPKIQNLKJNBP-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)C[C@@H]1C=CCCCC1	1925901600	MLLAGQIPGVKCPE-KGLIPLIRSA-N	237.431	4.523	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@@H]1C=CCCCC1	1925926085	QOIAFXOMWHBGAS-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)C[C@H](N)c1cccc(C2CCC2)c1	1926381342	AIRJODPLMSZDDA-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CCCCCCC(=O)c1ccc(SC)s1	1930216866	NJVNGRNRSMHPSJ-UHFFFAOYSA-N	242.409	4.623	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CC1(C)CCCCC1	1935623704	UMCYTEWGVRSJTB-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2(C)CCCCC2)C1	1940406118	KMCHSPVTUOFYQT-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC1(CCCC(=O)[C@H]2CCCCC2(C)C)CC1	1940876139	KFXWEZTYJYBGDK-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C1(C)CC(C)C1	1941984511	VSFGUIQPGNFXGU-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)NC[C@]1(C)C=CCCC1	1943136314	SNBDGHUTSBDXQS-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1ccccc1C(=O)C(C)(C)C(C)C	1944640739	GLURXSNHSRBFRH-UHFFFAOYSA-N	232.367	4.675	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C(C)(C)C(C)C	1944667457	CUYWHAJRPAKXAV-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)C[C@H](C)CC(C)(C)C	1947465823	WKFVGTCVDVFNMW-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1[C@H](C)C[C@H]1NC1CCCCCCCCC1	1947866920	POYKLMVBECEQQC-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@](C)(N)CCC1=CCCCC1	1949042740	HFHRPPLGAFFHMM-INIZCTEOSA-N	237.431	4.955	0	10	BJAE	
Cc1cc(C(=O)CC2CC3(CCC3)C2)c(C)s1	1949741146	AHTLDUFHFDCIDD-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C[C@@H](C)C(C)C	1949864021	IQSMVIQUAGHBHQ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC[C@@H](N)CC1CCCC1	1949864610	PBZGOZZXLKPKMI-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCC[C@]1(CO)CCCC(C)(C)CC1	1950911979	TWGBODWBRQHGPR-INIZCTEOSA-N	240.431	4.782	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)C2CC3(CCC3)C2)c1	1968341217	JECWBCCXRKHYGQ-GFCCVEGCSA-N	247.357	4.515	0	10	BJAE	
Cc1ccc(OCC2C[C@@H](C)C[C@H](C)C2)c(C)c1	1968397184	XEUGJSGCVWYAND-KBPBESRZSA-N	246.394	4.755	0	10	BJAE	
CC[C@H](Nc1cc(C(C)C)ccc1C)[C@H]1C[C@@H]1C	1968603050	VMBLWHKXJZOFNV-BPUTZDHNSA-N	245.410	4.965	0	10	BJAE	
CC(C)(C)C1CC(N[C@H]2CCCC3(CCC3)C2)C1	1970505191	OTDLAUQADWHGCJ-SLTAFYQDSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@H]1CCCCC12CC2	1972744890	PVRZZSLVVKZWJS-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CN(CC1(C)CC1)[C@@H]1CCCCC12CCCCC2	1974448954	FLFXNXCSXFVOQO-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@H](NCC)c1csc(C(F)F)c1	1978579706	SPPQOBTXAWZDDR-JTQLQIEISA-N	247.354	4.527	0	10	BJAE	
Cc1cc(N[C@H](C)[C@H]2CCC[C@@H](C)C2)cs1	1980276898	NLICIOQOQUQCCW-RTXFEEFZSA-N	237.412	4.683	0	10	BJAE	
CCCC[C@](O)(CC)CC1(C(C)C)CCC1	1989443253	UCJGYBBBWJMVGL-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)c1cccc(-c2c[nH]ccc2=S)c1	1989480067	ZPLYVYKCXVGYHG-UHFFFAOYSA-N	229.348	4.535	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)C1(C)CCCCC1	1995988881	RFDBIKQVDRRZIJ-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCCC2(CCC2)C1	1997042823	MGXLGDRJJPPILC-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCCC(F)F)CC1	1997103870	IBFWQEMCHFKIHN-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)[C@]2(C)CC=CCC2)c1	1997605117	VGOASJWCSRLHRH-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@H]1CC(C)C	1998749837	UAHMACDKADHWDS-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@@H](Sc2ccc(C=O)cc2)C1	2000100295	VEOIGKSRHGEPHH-CQSZACIVSA-N	248.391	4.560	0	10	BJAE	
CCCC[C@@](CC)(CC[C@H]1CC1(C)C)CNC	2000506056	XPNVVEUVFUKIOA-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CC1(C)CCCCC1)C(=O)O	2000512476	RVGVTKGTFUWVKP-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CCC[C@@](C)(CCCC1(C)CC1)CNC(C)C	2000522586	HADZQFVOMKQJLM-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@H](C)NC1CC2(CCCCCC2)C1	2000673600	XMBIMJDIWPVAIP-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@]1(C)CCCC1(F)F	2002584075	WUWVNMKJNSAPSY-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](C)CCNCC1CCC(CC)CC1	2002882220	IKSQCRSGRFETBX-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CC=CC[C@]1(CNCCC)CCCC(C)(C)C1	2002992357	AYTMLLPDDPATFA-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCN[C@@H]1CCCCCCC[C@@H]1C[C@H](C)CC	2003118102	QJWBAQDMLDASKY-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)C1(C)CCCCCCC1	2004942247	QKOFJGYNLSBOGN-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CCC=C(C)C)[C@@H]1C	2006978800	AVIUYYLYMAXESS-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(C)([C@@H](O)CCC2CCC2)CC1	2007690506	BDEDOUVNNUAKGO-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC1CC(C[C@]2(O)CCC[C@H](CC)CC2)C1	2007760671	NPHICBMWZOEQDJ-LBDPXKHJSA-N	238.415	4.534	0	10	BJAE	
C1=C[C@H](Cc2ccc3sncc3c2)CCCC1	2008038763	WGHFYVYWVDZCNU-LBPRGKRZSA-N	243.375	4.585	0	10	BJAE	
C[C@H]1CCCCCCN1[C@H]1CCCC(C)(C)C1	2008103789	LHGPWYWCULHKIK-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H](NCC)C1=CC[C@H](C(C)(C)C)CC1	2010711565	BOYYHYFHNSDJMS-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1cccc(-c2cscc2[C@@H](C)N)c1	2013598038	KZKPFKZYMMDJPF-LLVKDONJSA-N	245.391	4.558	0	10	BJAE	
CC1=CCCC[C@@]1(O)CCC(C(C)C)C(C)C	2015334984	JCWUYPPUYWAYFV-MRXNPFEDSA-N	238.415	4.556	0	10	BJAE	
CC(C)C(CCC(=O)[C@]1(C)CC1(C)C)C(C)C	2015395467	ZQXKCMSIMRZZJV-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CCC[C@H](C)C(C)C)C(C)(C)C	2015409238	PCTZTGYVHBZQIX-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](C(C)(CC)CC)C1(CC(C)C)CC1	2015755190	OQRNQRSQJDFWPD-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCNC1(CC2CC2)CCC1	2015755218	OXRAGYNFPFRIMF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(C[C@@](C)(O)CC2CCC2)CC1	2017649414	VKFCHJJWUXZVJU-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H]1CC[C@H](CCC)CC1	2017655525	NSCMAFKHKRSGJC-RBSFLKMASA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CNCC)CC1CCC(CC)CC1	2017726528	ZMMYIGARHGXNBW-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CCCNCC[C@@H](C)C[C@H]1CC[C@H](CC)CC1	2017739120	QLKBZNDYVVXSMZ-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H]1CCC(F)(F)C1	2018131789	QCIFJHBTNWAKKD-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@]12CCCC[C@H]1C2	2018572577	FWFVJGABZYVXFL-JYJNAYRXSA-N	238.415	4.678	0	10	BJAE	
CCCC1(CC2(N)CC(C)(C)C(C)(C)C2)CC1	2019003067	WMORNJANFVBAMF-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CCC1=CCCCC1	2019776241	CKTIHKZIXWKMOW-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C=C1CCC1)c1csc(C)c1C	2022675301	JFAQWIGJCHOWDJ-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@H](C(C)C)C1	2025625368	BEXLZHJVCGHSRR-ARFHVFGLSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](C=C(C)C)NCCC	2026074865	PXHJLFRKRRSOSA-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
C[C@H](C[C@H](O)CCCC1(C)CC1)c1ccccc1	2027830053	AJSXSQUURHPYGF-GDBMZVCRSA-N	246.394	4.512	0	10	BJAE	
CC1(CN[C@@H]2C[C@@H]2C2CCCC2)CCCCCC1	2028461319	HXDQWHLAXQVMQT-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](c1ccc(C2CC2)cc1)[C@H](C)CC(C)C	2028596241	DJPWVWBEFISXDW-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CCCCCC2CC2)c1	2028619625	UGMQJRYRODTTOF-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CCC[C@@H]21	2028782978	QZEDYGFXQFBHSU-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@H](NC[C@@]1(C)C=CCCC1)C1CC1	2030351492	KROQIPGFJIHKCI-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC(=C2CCC(C(C)(C)C)CC2)[C@@H](C)CN1	2031999329	HGLJLKAZSHVQMC-QNIGDANOSA-N	249.442	4.537	0	10	BJAE	
CC1(CCNC2CCC3(CCC3)CC2)CCCC1	2032257313	PJJFXGCKQVSFIZ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)C[C@H]1CC=CCC1	2032342601	WGUPJTUDPNJFLW-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1C[C@H]2CC[C@H](C1)C2	2033099612	MCHUFDGTFCSUAA-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1CCC1)c1cccc(C2CC2)c1	2036353830	HUGSZNZHEUZHAP-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC(C)(N[C@@H]1CCC2(CCCC2)C1)C1CCCC1	2036770333	CXJJIIXZMOQUEA-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](n2ccnc2C2CCCCC2)C1	2036777035	VJAWXBAQBNGRPO-HIFRSBDPSA-N	246.398	4.682	0	10	BJAE	
N[C@]1(C2=CCCCCC2)CC[C@@H]2CCCC[C@@H]2C1	2037100563	CIGIOVKQUHYKBY-ZMSDIMECSA-N	247.426	4.565	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)CC1CC2(CCC2)C1	2037971721	DTYACIOCAJTRJE-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](C[C@H](C)CCC(C)C)c1ccccc1	2038128725	PNEQKSVEYKUNFH-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccccc1C1(C)CC1	2038362454	GPNDFLVLBUMJRH-CQSZACIVSA-N	243.394	4.729	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CCC2)C1(C)CCCCC1	2039872285	LTFHUQONELBGDH-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
C[C@H](CCC1CC1)NC[C@]12CCCC[C@H]1CCC2	2040320791	BABFTZVUVYRWAC-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@H]1CCCC2(CCC2)C1	2041296626	OFHPSVDTQFJDTH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H]1CCCC2(CCC2)C1	2041297806	XDPLWYNCRGNPHW-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)CCC3(CCC3)C2)CC1	2043610809	AQBMHESZAKSCGN-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCC=CCCC2)=C[C@@H](O)C1	2045347033	YXLFGUKGYIKTDJ-GDBMZVCRSA-N	248.410	4.620	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@H]1CC(C)=C[C@H](C)C1	2045690410	NLGKNXDIKOOPNV-IAOVAPTHSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C[C@H](C)c1ccccc1	2045740316	GYBXSVRQXWLVHL-RDJZCZTQSA-N	245.410	4.515	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC3(CCCC3)CC2)C1	2046569071	RWWQLSFBWNRVOJ-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC12CCCC2)CC1(C)CC1	2047017022	SMFHUDXAVQIIQI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)(CC[C@@H](N)C[C@H]1CCC12CCC2)C1CC1	2047940102	SDFGCJIDDUALRP-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2[C@H]3CCCC[C@H]32)cc1	2048450167	RXCYCLKFHSAYRP-BJWYYQGGSA-N	243.394	4.658	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@@H]2CCC3(CC3)C2)CC1	2049418351	PYYUBNMLTSTRGZ-PRLABOORSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC1CCC1)C[C@@H]1CCCC2(CC2)C1	2049855226	IYXLTHHSHDTNDN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCNCC1(C[C@H]2CCC3(CC3)C2)CCCCC1	2049857245	MTJKNFXTSNVQDI-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC2(CC2)C1)C1(CC)CC1	2049866945	RFHJZYRBHQFYOP-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@H]2CCC3(CC3)C2)c1	2050461840	ZJTGGGYOTNNTQJ-CQSZACIVSA-N	242.362	4.538	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2CCC3(CC3)C2)CC1	2051597508	YAQJEHMCJUAZNG-HPUBIQBYSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@@H](N)C2(C)CCC3(CC3)CC2)CCCC1	2056556951	OGRAHTOLPOTDOC-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CCC1CC(CC)C1)c1ccco1	2056639395	GGQHUZALYYQFOK-NRXISQOPSA-N	249.398	4.537	0	10	BJAE	
C[C@@H](C(=O)C1CC(C2CCC2)C1)C1CCCCC1	2057490717	JLVKOTZTCUAGTQ-UWTIGNOOSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H](F)C2CCCCC2)c1	2058032503	XYMXSCPTPVQYBI-OAHLLOKOSA-N	249.373	4.634	0	10	BJAE	
CCC1(C)CC(Nc2ccc(C(C)(C)C)cc2)C1	2058829887	PNBKLQKBGQWNHD-UHFFFAOYSA-N	245.410	4.975	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CC2CCC1CC2	2059256445	PBFUNYJBYXYRIW-GWSIQENHSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)CC[C@]12CCC[C@H]1C2	2061603183	RQOGIGVOZYBUAA-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)(C)C)C1CC(=C2CC2)C1	2061737250	PFICOQVBZVYLOG-LRDDRELGSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C2CC3(C2)CC(C)(C)C3)C1	2063819030	XYZLDPNINHAJQF-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC12CC(NCCCC1CCCCC1)C2	2064111769	UQLUGNYOFBYVRN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC23CCC(CC2)CC3)[C@H](C)C1	2065280653	XOSCWWNVLOYZIR-ZHAKLFTISA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(=O)c1ccccc1C1CCC1	2070927073	QPYGPYVINHJMQL-SJCJKPOMSA-N	242.362	4.573	0	10	BJAE	
Cc1ccccc1N(C)CC1(C(C)(C)C)CCC1	2071920882	BCRADXWKBCAHAH-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C[C@H]2CC=CCC2)CC1	2072702430	LXJDHPUTJGEJJC-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)c2cc(C)co2)CC1	2072872441	BNVXVILYSQIIPM-HDJSIYSDSA-N	248.366	4.767	0	10	BJAE	
CCCC1(C[C@H](O)c2c(C)cc(C)cc2C)CC1	2074617973	AEMBOBZLANEYHY-HNNXBMFYSA-N	246.394	4.616	0	10	BJAE	
CCC1(C[C@@H](NC)[C@H]2CCCCC23CCC3)CC1	2074649066	PPYHBYDAPJULLZ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N(CC)c2cccc(C)c2)CC1	2074863668	QDTBRPGDCCDALP-UHFFFAOYSA-N	245.410	4.790	0	10	BJAE	
C1=C(CCN2CCC[C@H]3CCCC[C@H]32)CCCC1	2075145744	LAILLDYLIFDJDZ-IAGOWNOFSA-N	247.426	4.532	0	10	BJAE	
C1=C[C@H](NC2(C3CCCCC3)CCC2)CCCC1	2075361844	CNPPIEFPYIYEAZ-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@H]2C=CCCCC2)CC1	2075404382	YOSGHKWZNIVIOA-IXDOHACOSA-N	249.442	4.776	0	10	BJAE	
N[C@]1(CCC2CCCC2)CCC[C@H]2CCCC[C@@H]21	2081130791	AHJRMLLRNMAFJY-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)C[C@@H](C)C(C)(C)C)c1	2082926179	RPGDIDJABOEUFD-CZUORRHYSA-N	247.426	4.684	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCNC23CCC3)C1	2082980243	TZNDLUCMGBKDSX-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)C[C@@H]1C[C@@H]1C=CCC1	2083034281	ZAVZDUGLSSCESI-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@](N)([C@@H]2CCC3(CCCC3)C2)C1(C)C	2084345881	TWQZJKFPWKCVSA-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCCN[C@@H]2C[C@H]3CCC[C@H]2C3)CC1	2086161974	IRNHRDGBPVMYIC-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@H]1CC12CC2)CC1(C)CCCCC1	2086350897	NZBAINZLGLWQHZ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)CCN(C)CCCCCCC1CC1	2213580827	PIOCGLOFFFPRST-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CCCCC1CC1	2214571129	UYDDGFORYQTBJY-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC1(C)CC2(CCC2)C1	2215436380	ZLEDJMLMESBUMC-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@@]1(N)CCCCCCCC1CC1	2216858421	CVUOQZRKDWNWMH-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](CCCC(C)(F)F)CN[C@H](C)CC	2217150611	ZPCAMZDKOWLDOT-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC)CC1CCCCC1	2217150755	OLRVECVFYZEOQW-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218323577	XCRZNCBIAXSUPY-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218330405	HZXFOLVAVBOUBW-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218352191	VNTZPNLEOVRVJW-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2220853662	SAYKRGHNZZVAPW-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccnc(C(C)C)c1	2220887257	GHNPSKSAHXITQJ-AWEZNQCLSA-N	248.414	4.976	0	10	BJAE	
C[C@]1(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC[C@@H](N)C1	2222948104	FWEVPBVOFWBETJ-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)NC[C@@H](c1cccc(C)c1)[C@@H](C)CC	2223551931	UBGHFXKNNBZGPH-YQQAZPJKSA-N	247.426	4.513	0	10	BJAE	
CCc1ccsc1C/C=C/c1ccccc1	2243458816	YLALQUUAVHYRON-RMKNXTFCSA-N	228.360	4.566	0	10	BJAE	
Cc1ccc(-c2nc(C(C)C)c(C)s2)cc1	2245950493	JWCSZLNLLNLZGD-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
CC1CC(CC(=O)CC[C@@H]2CCC[C@@H](C)C2)C1	2246665744	LLMUOLCAEMZABS-JLVJUDLZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H](O)C1CCCCCCC1	2247309931	XRLYMUTYDXBCEJ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCC1(C)C)C1CCCCC1	2247397906	IOAOODYNLRWERG-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CCC1(C)C)CC(C)(C)C	2247401871	XKBWCFFSRIRATB-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
Fc1c(CC2=CCCCC2)cccc1C(F)F	2247505018	YTIBMILJULNWHT-UHFFFAOYSA-N	240.268	4.806	0	10	BJAE	
CCC[C@](C)(CCCCC[C@@H]1C[C@H]1C)CNC	2248854283	OEJMSJOTRLRKFN-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccc(C(C)C)cc1	2250363260	ZABCAQZWSQNYAM-XJKSGUPXSA-N	233.399	4.636	0	10	BJAE	
CCC[C@H](CC)CN[C@@H]1CCCC2(CCC2)C1	2250385429	QQZGLMFQHKULQT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)N(C)CC[C@@H](C)CCCC(C)C	2250466972	MBTXDEPNDBVYAR-JKSUJKDBSA-N	241.463	4.959	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)C1CCCC1	2250467728	VGNPIICPPQSIFE-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@@H]1CCC1(C)C	2250490357	IIDAGWFOEKEUJN-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CNC[C@@H](CC[C@H](C)CCCC(C)C)C(C)C	2250491106	NHPIXYIZCOZJEW-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CC1=CCCC[C@]1(N)CC[C@H]1CCCCC12CC2	2253837749	GTAPKCIMHPKDRR-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)C[C@H]3CCC[C@H]2C3)C1	2253995075	INBQWLMTOVXWCA-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC2CC3(CCCC3)C2)C1	2254110180	WENMADAWMCRNJL-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(NC[C@@H]2CCC23CCC3)ccc1C	2254954840	OXAYVMYTHIEACV-HNNXBMFYSA-N	243.394	4.550	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2CCC23CCC3)CC1	2255019119	RTOJSGDBFZRMTM-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(C)(CNC2CCC=CCC2)CC1	2257938118	CEIYADGQPQDWSH-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNc1cc(C2CC2)ccc1F	2259110380	UEFWKNKIMVGWBO-DGCLKSJQSA-N	247.357	4.551	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cc2cc(C)ccc2o1	2259447206	KYWYZVJTFXWUAD-BLLLJJGKSA-N	245.366	4.567	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cccc(C2(C)CC2)c1	2259451707	FBOLSRQHZBYYIW-CJNGLKHVSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@@]12CCCC[C@H]1CC2	2260485512	FSUDCLIGQXMFPJ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](C[C@]23CCCC[C@H]2CC3)N1	2260626600	WXJWZTRRHIOVJG-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H]([C@@H](C)CC1CC1)C(CC)(CC)CC	2298927377	TXLZNJAPBLCQNO-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC1CC2(CCC2)C1	2300468047	GNNCWSLUHDOAHJ-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CN[C@H]1CC[C@@H](CC=C(C)CCCC(C)C)C1	2300886778	ALOJZXMSLHRPQB-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
O[C@@H]1CCCC[C@H](CCCC2=CCCCC2)C1	2302342795	MVUMBSOVOCBEBC-HZPDHXFCSA-N	236.399	4.598	0	10	BJAE	
N[C@@H]1CCCCC[C@@H]1CCCC1=CCCCC1	2302362419	YWIRCZMNOHHMBO-HZPDHXFCSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CCC[C@H]1CC1(C)C	2302613527	RQYQHOLKMAYGCW-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
Clc1ccccc1NCC[C@H]1CC[C@H]1C1CC1	2303159887	SAYBYWNMWKAQIQ-OLZOCXBDSA-N	249.785	4.578	0	10	BJAE	
CC1=C(C)C[C@](N)(CC(C(C)C)C(C)C)CC1	2303579358	MLWZARLYWAFSJR-INIZCTEOSA-N	237.431	4.523	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CCCC(C)C)CC1	2303603813	WWUCIMSEYNOIFP-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCCCC1(NCC[C@H]2CCC(C)(C)C2)CC1	2304359843	HYPFLGZNMUFQBN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CC1CCCCC1)NC	2307903192	OBBIZLJJCNQNPL-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC1(CC(=O)C[C@H]2CCC[C@@H]3C[C@H]23)CCC1	2310750928	GEMKIPGXGZOEEC-IIAWOOMASA-N	248.410	4.742	0	10	BJAE	
NCC1(C(CC2CC2)CC2CC2)CCCCCC1	2313604742	UPJWUYHOCFBINR-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(N)(CC2CC2)CC2CC2)C1	2315439348	DBTLFMWKIQINBG-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@]12CCC[C@@H]1C2	2315878829	YTPLIRZIWKXPFZ-NVXWUHKLSA-N	243.394	4.721	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1C[C@@H]2CC[C@@H]2C1	2315888648	RXMHXXRSPTYCSD-MUJYYYPQSA-N	243.394	4.719	0	10	BJAE	
CCC(CC)CCN1C[C@H](C)Cc2ccccc21	2316246483	UTAPCKBBLCLTEE-CQSZACIVSA-N	245.410	4.512	0	10	BJAE	
CCC(C)=CCN[C@H]1CCCC2(CCCCC2)C1	2316500375	YXKOYRLHVSUUKF-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@]1(N)CC1CCCCCC1	2316875576	WVIRPPUYWJCHRN-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(C[C@@H]2CN[C@@H]3CCCC[C@H]3C2)CC1	2316938752	RXLNYIDNBZYASY-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@H]1CC[C@H](C)C1	2318589255	OQEOHCSJMFGFQU-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@H](NCCCC2=CCCCC2)CCCCC1	2318598614	SCIHNCBGSRQZOZ-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCC(C)(C)C1)c1ccco1	2319117593	BWGCPXMPEGEGRZ-KBPBESRZSA-N	249.398	4.537	0	10	BJAE	
CC1=C(C)C[C@H](NCC2CC(C(C)(C)C)C2)CC1	2320408178	IBCNFRSKNHUQPL-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1	2320415180	YFGOCZGMDAGHIW-QMCVQRASSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](O)c1cccc(C2CCC2)c1	2320656021	YABVAXONKJYHOT-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
Fc1cccc2c1ccn2[C@H](CC1CC1)C1CC1	2320695323	HCVAGELZMOKXJO-MRXNPFEDSA-N	243.325	4.532	0	10	BJAE	
CC(C)CC12CC(C(=O)CC[C@@H]3CC3(C)C)(C1)C2	2321588602	USWGNDZXAZWAQD-NVPAJSRCSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)CCC2(C)CC2)c1	2327789980	NTOSWISUKLFZNZ-MRXNPFEDSA-N	245.410	4.699	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC2CCC2)C=CCC1	2328306585	LWHCVULVUZMPHI-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@@]2(C)CC(c3ccccc3)=C[C@]12C	1510432	MJUZIFPYYXUABG-IAGOWNOFSA-N	224.347	4.836	0	10	BJAE	
Cc1ccccc1[C@@H](C)Nc1cccc(Cl)c1	20006730	RTSQRRHLQDOYPF-GFCCVEGCSA-N	245.753	4.822	0	10	BJAE	
CC[C@@H](C)[C@H](C)N[C@@H](C)c1ccc(C(C)C)cc1	37044318	MRTZHDMMXMMSMP-ILXRZTDVSA-N	247.426	4.895	0	10	BJAE	
CCCCc1ccc(NC(C2CC2)C2CC2)cc1	37466744	IBHCLJZMUIZSPS-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@@H](c1ccccc1C)C1CCCCC1	37535686	JKCUSUGFFLAJNM-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCC(=O)c1cccc(-c2cccc(Cl)c2)c1	44367217	QFRJUEVSJZBTAU-UHFFFAOYSA-N	244.721	4.600	0	10	BJAE	
CC(C)CC(=O)C1(c2ccccc2)CCCCC1	62782553	SGKUITKAUXRSGR-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc(C(C)(C)C)cc1	68874664	XYUWHXHHIUXSAA-MRXNPFEDSA-N	248.410	4.988	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)CCc1ccccc1	69371118	WJAZFWSVGUNEQR-DOTOQJQBSA-N	247.426	4.566	0	10	BJAE	
Cc1ccsc1C(=O)C1CCCCCCC1	83187702	KIWDTQKGYOIIHN-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CNc1ccc(-c2ccc(C(C)(C)C)cc2)cc1	84054047	GPBQWTFXFSLILG-UHFFFAOYSA-N	239.362	4.693	0	10	BJAE	
C[C@H]1CC(NC2CCCCCCC2)C[C@H](C)C1	84461996	YPAQTCUFWMXJEE-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](N[C@H](c1ccccc1)C(C)(C)C)C1CC1	86117378	OWASSROBDNGDHI-JKSUJKDBSA-N	245.410	4.552	0	10	BJAE	
CCC[C@@H]1CCC[C@H](Nc2cccc(F)c2)CC1	86922550	XZEJHIUXAAWTJU-HIFRSBDPSA-N	249.373	4.987	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C1C(C)(C)C1(C)C	91491678	QFAOUDVNRBKORN-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(Sc2cccc(C)c2N)CC1	91944888	QFOYBIWHGODKQD-UHFFFAOYSA-N	249.423	4.638	0	10	BJAE	
CCCCCC[C@]1(C)CCNC[C@H]1CC(C)C	92692028	PCCXWHJYHFIDHA-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](O)c1ccc(Cl)c2ccccc12	93656945	PCPMOSSGTIFAGF-HNNXBMFYSA-N	248.753	4.573	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1ccc(CC)cc1	109718610	AAALLJPRTIPWIV-NVXWUHKLSA-N	247.426	4.855	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCC(C)(C)C1	129204342	PEKZTQFUNHPXHS-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
CCCC(CCC)[C@H](N)c1ccc(CC)s1	132910809	PRUGMQHIDKBNHG-AWEZNQCLSA-N	239.428	4.527	0	10	BJAE	
CC(C)(C)c1cccc(Cl)c1C(F)(F)F	144213072	MHQAWUKFDRADLG-UHFFFAOYSA-N	236.664	4.656	0	10	BJAE	
CCC(CC)C[C@H](NC)c1ccc(C(C)C)cc1	148207991	VGXQGNFCTCNZEC-KRWDZBQOSA-N	247.426	4.897	0	10	BJAE	
CCCCCC1(O)CC(C)(C)CC(C)(C)C1	159494448	VWXKVURJOGYLKZ-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](C(C)(C)C)C1(CC(C)C)CCCC1	164666259	MQECCORKOOTTRM-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](NCCCC(C)C)c1cccs1	165218976	JUWPVYZFMNUTME-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCCc1cccc(-c2ccc(C(C)=O)cc2)c1	166085713	BBTRZKMVNNNPHC-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccc(CC(C)C)cc1	167657362	KQIJLGKJCTWQHN-QGZVFWFLSA-N	248.410	4.745	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)c1cccc(C)c1C	225411796	LNSJQVAZXKRYTQ-PVAVHDDUSA-N	246.394	4.553	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)(C)C)C(CC)CC	228692140	BNBPAMVRJYJBLR-UKRRQHHQSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccccc1	228910975	YUPNPTJGNHRFKY-OIISXLGYSA-N	245.410	4.696	0	10	BJAE	
C[C@](F)(c1ccccc1O)C1CCCCCC1	258983812	SPPIVFSRAFFFLP-OAHLLOKOSA-N	236.330	4.547	0	10	BJAE	
CC[C@H](CCCC(C)(C)C)CNC(C)(C)C	300872452	NJCHGEFYIFLRSQ-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)CCC(C)(C)C)c1C	302334676	JJMTUCKKXJRJAP-OAHLLOKOSA-N	247.426	4.746	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@H]1CCC[C@H](C)C1	302375759	MGKIINUXDLDQNS-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](CNC(C)C)CC(C)C	302441617	WKTGNDRRNFFTKP-HOTGVXAUSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(CCC2CCCC2)C1	305896928	NFPGXCZEFPWGNO-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@H](CCCC(C)(C)C)C1	305951929	UVHAGGBQMHDRGI-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CSc1cc(S)c2cc(Cl)sc2c1	306835909	SBMDINBVQHHZKE-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1cc(Cl)c2sccc2c1SC	307398713	YVSYPJLCQPIHNF-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1ccc(CC)cc1	308112460	PKRWWUQETKONPO-MRXNPFEDSA-N	246.394	4.894	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CC2(CC)CCC2)C1	310111206	FPGMVQUWYIHRPK-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)CC1(C)CCCC1	310204113	CLJKPVQEAIFYHI-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C[C@H]2CCC[C@@H](C)C2)C1	310308351	DEKYDMNQPLXQLC-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCOc1ccc2c(ccn2C2CCCCC2)c1	310594187	GREPFDYPXZOUCH-UHFFFAOYSA-N	243.350	4.545	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCC[C@@H](C)C1)c1ccccc1	310805672	YKFSDDXWXUDZKX-ILXRZTDVSA-N	244.378	4.576	0	10	BJAE	
C[C@@H](CC(C)(C)CNC(C)(C)C)c1ccccc1	318124057	QUDABWPTBDEVSJ-AWEZNQCLSA-N	247.426	4.595	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1ccc2sccc2c1	319967119	HYCMAAYDRADQGC-WDEREUQCSA-N	246.375	4.766	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cc(C)cc(Cl)c1	320230710	VDZSHOONBNRTFL-GHMZBOCLSA-N	238.758	4.513	0	10	BJAE	
CC[C@H](N[C@@H](CC)C1CCC1)C1CCCCC1	322678064	JDTLKZJHIMLDOM-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)[C@H](CC/C=C\c1ccccc1)NC	324339680	XTGOQJBXHOSFDU-RLSVRPBNSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H]1CC[C@H](CC)CC1	383135365	JEMOGVAONPODAU-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)CC1CCC1	383263990	MEUCOTZKDFUMGO-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCC[C@H](C)c1ccccc1)C(C)(C)C	384738998	KZUJEKZVVAHTRY-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1C[C@@H](C)Nc2ccccc21	393845534	DJCUYQVDBQCBPW-GUTXKFCHSA-N	231.383	4.657	0	10	BJAE	
CCCCCCNCCC1CCCCCC1	394550995	AMUDRLQZYLCHMD-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
CCc1cc(S)c(C(F)F)c2ccsc12	396240973	LHIXNSFAEMOWEB-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H](C)C(C)(C)C)c1C	399020701	HCNZPLZDRNWXFX-CQSZACIVSA-N	246.394	4.785	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1)[C@@H](C)C(C)(C)C	399190711	YBHKUZLPDDJMBK-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
C1=C(Cc2cccc3ccsc23)CCC1	401096821	BUOPBLPFVAHBEN-UHFFFAOYSA-N	214.333	4.554	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNCCCC(C)(C)C	401608573	HOOSZKWCKFIMEO-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1cc(F)ccc1C	401835589	NSLBXVALYXHQGM-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
Cc1c(Cl)cccc1C(=O)C[C@H]1CC=CCC1	402142081	LAMMCHHXHSJFKN-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@@H]1CC=CCC1)NC	402243405	HIMBMQKPHAZJQA-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CCCC2CCC2)C1	688801722	LQEBSMBRJLJWAX-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(C3CC3)cc2)C1	690102786	QMSFDLICNVGYEK-GUYCJALGSA-N	243.394	4.945	0	10	BJAE	
C[C@H](CC1CCCC1)Nc1ccc(C2CC2)cc1	690136563	ZUSNXHFSEABMEZ-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCCCCC(C)C	691099951	LFFIQHNNTSDZHL-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C(=O)c1ccc2sccc2c1	691843481	VGRXSTVVLHPYQJ-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CCNC[C@]1(CC2CC=CC2)CCC[C@@H](CC)C1	692155277	MCEDUMPVOCDEPP-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)[C@H](C)C1CCC1	692761857	VHMVLTGFHWCJCP-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC(C)(C)C(C)(F)F	697072216	HJOIHYASERZNEH-LLVKDONJSA-N	248.357	4.699	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc(C(C)(C)C)cc1	697200163	VJLDSKXOIUDCJZ-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
COc1ccc(Cl)cc1CCCC=C(C)C	697990533	FBZYEJMGKMGMGT-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
C[C@H]1CCC[C@@H](C2(N)CCC3(CCCC3)CC2)C1	704450337	WJDPWWKWKDHJGE-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H]([C@@H](C)CC(C)C)[C@@H](C)CC(C)(C)C	708249286	MSIQHLCUYNLJHE-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
C[C@H](CNCC1CCCCCC1)CC(C)(C)C	709080314	MAZZALIVZXSKBN-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCc1ccccc1N[C@H](C)[C@]12CCCC[C@H]1C2	709117895	ZDRUMACFIZFRKU-UKPHBRMFSA-N	243.394	4.630	0	10	BJAE	
CC(C)[C@H](C)CNc1ccc(C2CCC2)cc1	709671110	HHELJOLILHBCPR-CYBMUJFWSA-N	231.383	4.658	0	10	BJAE	
CCC[C@H](C)CC1(O)CCC(C2CCC2)CC1	710200914	SDFHRHZDBJNDTE-JEYLPNPQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@]12CCCC[C@@H]1C2	710368925	OEZAVGRMBVXSSP-SQWLQELKSA-N	236.399	4.742	0	10	BJAE	
CCc1ccc(N[C@H]2C[C@@H]3CCCC[C@@H]32)cc1C	712399822	BLKUAGQBBDDYGP-XIRDDKMYSA-N	243.394	4.548	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CC(C)(C)CC[C@H]1C	713064021	GPVXIBGOOWMEFJ-BXUZGUMPSA-N	249.373	4.761	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)[C@H]1CCCCC1(C)C	713124947	KGBXXGUYLLUQJS-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC(C)(C)C(C)C)C(C)(C)C(C)(C)C	713209501	BFEWMIZQDNOCMK-ZDUSSCGKSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]3CCCC[C@H]32)C1	714304876	QDOUXVCYERXSKB-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
C/C=C/[C@@H](C)Cc1c(Cl)cccc1Cl	714546095	GYMBOOPGKNDLBB-HYYFJVDXSA-N	229.150	4.748	0	10	BJAE	
CC/C=C/C[C@@H](C)c1cc(C)c(C)cc1F	714558035	XMVFHSOSLZGGCO-XUIVZRPNSA-N	220.331	4.902	0	10	BJAE	
CC/C=C/C[C@@H](CCC)c1ccccc1O	714560143	HURZHIJFONLHBO-URWSZGRFSA-N	218.340	4.632	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CCC(C)C	718570558	BUXOJIXIEHCVBB-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCC(C)=C(C)C	718575182	XPFCBVITVNSLEH-LSDHHAIUSA-N	225.420	4.667	0	10	BJAE	
CC[C@H](N[C@H](CC)CC1CCCCC1)C(C)C	720941859	YCXUPQHMOFCQPB-CVEARBPZSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(CC)C(=O)c1cc2cccc(C)c2o1	721705422	MZVRKOAYWXHBIW-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)C[C@H]1CC1(C)C	722558520	MNPZXHOEECLTHR-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CC1)N[C@H]1CCCCC12CCCCC2	1875418157	GXTYVVBZURPVQD-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC(C)CC[C@@H](C)N(Cc1ccccc1)C(C)C	1880412931	FTSDTBBRDVRSCL-MRXNPFEDSA-N	247.426	4.722	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc([C@H]2CCCC2(C)C)n1	1905271332	PKGCXGYOEMKZCA-GMTAPVOTSA-N	235.396	4.560	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CC(C)(C)CCC1=O	1905444003	KCQXVTUELCBECL-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](N)C1(C)CCCCCCC1	1907073169	XBCRDXVUPLKXHZ-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@]12CCCC[C@@H]1C2	1909909854	ZOLIIQBVFJRBDP-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
O=C(CC1CCC=CCC1)C1CC2(CCCC2)C1	1912604911	QFZTYQMYXGIUMQ-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
C1=CCCC(N[C@@H]2CCC3(CCCCC3)C2)CC1	1915881282	DRFAACNDSVEALE-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@@H]3C[C@H]3C2)cc1	1917328507	GOCIUEJIDWSGNY-PWXKEOIMSA-N	243.394	4.801	0	10	BJAE	
CCCCCC[C@@](O)(c1cccs1)C(C)C	1919891476	VNYGOTMIDQZZRM-AWEZNQCLSA-N	240.412	4.562	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C1CC(CC)C1	1921262965	YJKXKQXICHSVJV-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@H](O)[C@H](c1ccccc1)C(C)C	1921318361	CCJDWYVXYABRMS-IRXDYDNUSA-N	248.410	4.613	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@H](C)C1CCCC1	1924125468	NLUVMYAUCGSTJD-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
Fc1cc(Cl)ccc1C[C@@H]1C=CCCCC1	1925816955	LSMQESBCTPNBMO-LLVKDONJSA-N	238.733	4.768	0	10	BJAE	
C1=C[C@@H](CNCCC2CCCCCC2)CCCC1	1925887842	CZLCFLPRHDLRII-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCc1ccc([C@@H](C)NCCC(CC)CC)cc1	1926176329	MPCHUQWVKWWMAM-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
CC1(C[C@@H](O)[C@H]2CCCC2(C)C)CCCCC1	1940405714	DHYLPZWFSVAAPL-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)CCC[C@@H]1CC1(C)C	1940881896	HRVBALZEXKGZFG-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCSC[C@H](C)Nc1cccc(C2CCC2)c1	1941160404	DBONOOHLKMSISG-LBPRGKRZSA-N	249.423	4.508	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](C[C@@H](C)CC(C)C)NC	1941265572	WOHVLJROZAQUQL-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
Cc1cc(F)ccc1NCCCCCC1CC1	1941575384	AGMXUYNKQMYFJG-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCCC[C@H](CC1CCC=CCC1)NCCC	1941820443	ZWNKRFNUMLNZLB-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCNC[C@@H]([C@@H](C)CCC(C)C)C(C)(C)C	1942657000	NGJYFUPMOXIWDN-GJZGRUSLSA-N	241.463	4.721	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]([C@H](C)CCC(C)C)C1	1942660431	LWDMXQNFNWLTOK-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
Clc1cccc2c3c([nH]c12)C[C@H]1CCCC[C@@H]31	1946274653	LMACMMYPBKMRNM-NXEZZACHSA-N	245.753	4.651	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CCC[C@H]1C(C)C	1947522884	HSWCRLFFUZUUPS-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](N)C[C@H]1C=CCCC1)CC(C)(C)C	1947585927	FUFBHHBENRALGF-ILXRZTDVSA-N	237.431	4.523	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)C1(C)CCCCCC1	1949081262	JEGBPSAVXFOFGU-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@@H]2CC[C@H](C)C2)CC1	1949436498	XEBOVZUJCUIOAC-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](O)[C@@H]1CCC2(CCCC2)C1	1949453798	SFSHVNYDXZCIQL-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@@H](C)CCC(C)C	1949864027	IQTZFMWRAIPCJW-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCN(C[C@@H]1CCC(C)(C)C1)c1cccc(C)c1	1963272203	GUVUITKWHWHVQU-OAHLLOKOSA-N	245.410	4.648	0	10	BJAE	
C(CCN1CCCC2(CCCC2)CC1)CC1CC1	1964242369	XMRYFZDKNGDGCL-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1NC1CCC2(CCC2)CC1	1965978508	KBFLPANQGPMROT-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCCN[C@H]2CC[C@H]3CC[C@H]2C3)CC1	1966364559	SVIAZFIKYSHQQV-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(N[C@@H]2CC[C@H]3CC[C@H]2C3)CC1	1967767929	SSUJZOLYEMXNPD-QFDKOSDTSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCN(CCC(C)C)CCC1CCC1	1968282488	IWJIZQVQVLGHQY-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
Cc1ccc(C)c(O[C@H]2CCC3(CCCC3)C2)c1	1968307148	FBINRCGQUVBQQP-HNNXBMFYSA-N	244.378	4.795	0	10	BJAE	
CCCCCC[C@](C)(O)C1(C)CCCCC1	1975570013	CAOCIFWHJZHGDR-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCCC[C@H](CC[C@@H](C)C(C)C)NCCC	1988309940	OPTWEVUZINSCSE-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC1(CC)CC1	1995261390	DQGPKGDMYUOKQC-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCc1cccc(CC)c1NC1CCCCC1	1995666451	FEMQBTBNUHWKIL-UHFFFAOYSA-N	231.383	4.556	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)C1CCC(C)(C)CC1	1996595515	WIWPZHGRKJVLJJ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1ccc2sccc2c1	1996618235	SCZHYWJOUCCOQL-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(N)CCCC2(CCC2)C1	1997038671	DLFAXCFOQZYSIC-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CC(C)(C)CC)CC1	1997116337	JYRJGSAYLIKALC-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@@H](C)C1(O)CC(C)(C)C(C)(C)C1	1997805678	XGGXQTQSPSIUNK-CYBMUJFWSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)C2CC(C)(C)C2)c1	1998659148	XQTBYQPDJCTPSU-CYBMUJFWSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCC2(CCC2)C1	1998693772	PSQHVHLYDCDAFN-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC=CCCC1)C(C)C	1999991787	SBJXBRVACMFUSI-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C(=O)C1CC(C(C)(C)C)C1)C(C)C	2002327357	XSUPAAKCFHQRFX-JXQTWKCFSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](C)[C@@H](C)C1CCC(CCC)CC1	2002921978	TXDSOTAZHDSYEV-QVOMUQBLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)[C@@H]1CCC[C@@H](C)C1	2003017311	IPEBNAKNFXLGDS-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](NC)C(C)C)CC1	2003069511	YZUOCDDXFUWYRS-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C(=O)CC[C@H](C)C(C)(C)C)c1	2003630148	VIPQOKYEQFNMMM-ZDUSSCGKSA-N	232.367	4.640	0	10	BJAE	
CC1([C@@H](N)C2=CCCCC2)CCCCCCC1	2004922056	CTTLTPSGGWHDAW-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(CO)CCCC1(C)C	2005564653	DLWWALFPKROHHO-BBRMVZONSA-N	240.431	4.638	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C1(C)CCC2(CC2)CC1	2007687046	BXLTWRQFBVWTHK-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C1(C)CCC(C)(C)CC1	2007697836	QMTWCPHBSXHSGN-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)C[C@H](C)C(F)F	2008581722	NLUXLQKFHSPQNU-AVGNSLFASA-N	249.389	4.615	0	10	BJAE	
CC[C@@H](C[C@@H](C)CCO)C1CCC(C)(C)CC1	2008715996	LEHLKWHRRHRSBY-KBPBESRZSA-N	240.431	4.638	0	10	BJAE	
CC1(CC[C@]2(O)CCCC[C@@H]2C(C)(C)C)CC1	2009544346	OSNXGVNZGSJCHG-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@H](N)c1ccc(C(C)C)cc1	2009575333	GZPDNIMYFRTOPO-APHBUQMISA-N	231.383	4.556	0	10	BJAE	
CCCCCC1CC(O)(CC[C@H]2CC2(C)C)C1	2009718685	BGDMCSSQURCMKJ-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010712440	IZTQVAPRTLHVLX-KGLIPLIRSA-N	237.431	4.523	0	10	BJAE	
CCN[C@H](CC1=CC[C@H](CC)CC1)C(C)(C)C	2010770292	XNPQUGXHXKMBKT-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCc1ccccc1CC1CC(=C2CC2)C1	2011081767	AXMIPBSGYMPWTH-UHFFFAOYSA-N	226.363	4.682	0	10	BJAE	
Cc1cccc(CCC2CC(=C3CCC3)C2)c1	2011086931	IXVQTXAMBADBRL-UHFFFAOYSA-N	226.363	4.818	0	10	BJAE	
CC[C@](O)(CCC[C@H]1C[C@@H]1C)C1CCCCC1	2011563173	UKOAJKNZYQZBOM-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CC(=O)CC(C)(C)C1	2012084727	QUPPPERFLPFVIE-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(CC[C@H](N)C(C)(C)C(C)C)C(C)C	2015356218	FQKOQYZLKCEBCI-HNNXBMFYSA-N	241.463	4.704	0	10	BJAE	
CCCC[C@@H](CC)NCC1(CC2CCC2)CC1	2015794018	VHIJMSJHBHDDJA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(C[C@](C)(O)CCC(C)C)CC1	2017647435	FOQCEQNTXXQAOJ-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(C[C@@H](N)C(C)(C)CC)CC1	2017728903	QFZGTYFQCSSIDX-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CCCC1(C[C@]2(N)CCCCC[C@H]2CC)CC1	2018974921	NMRDWBRRIKVAJT-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1C[C@@H](N(C)[C@@H](C)CC(C)(C)C)CC[C@H]1C	2019123037	ANSGVSOVFHYAKH-QPSCCSFWSA-N	239.447	4.568	0	10	BJAE	
CCC[C@H](C)N(C)C1CC2(CCCCCC2)C1	2019304889	AYETWHJXVHGTRF-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)[C@H]1CCC[C@@H](CC)CC1	2019388700	ITFGYRRQYSCRDR-JJXSEGSLSA-N	239.447	4.712	0	10	BJAE	
CC(C)CC[C@H](C)N1CCCC[C@@H](C(C)C)C1	2019408512	GJZSJEPXRUTJKV-JKSUJKDBSA-N	239.447	4.569	0	10	BJAE	
C[C@@H](C[C@H]1CCCC(C)(C)C1=O)CC(C)(C)C	2020387914	FLXVTMAKHGRVOJ-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC=C(CC)C1(N)CCC2(CCCCC2)CC1	2020918817	UBVCEDPBYBXVAT-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CC(C)CCC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2022416248	ATRUMGJGELCOPF-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H]1CCC[C@@H](C)C1	2023329493	AFAOLAKAYALUSL-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@@H]1CCCCCC(C)C	2023609968	XDJCZOMVQRMHKA-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)NCC[C@H](C)C[C@H]1CCCC(C)(C)C1	2024095251	QBXVQOLIIZBUCP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]1CCC(C)(C)C[C@@H]1CCCC(C)C	2024125467	SEVKDMQKANIWSD-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCC(F)(F)CC	2026082901	VVJLTDRVHXIJHT-LBPRGKRZSA-N	248.357	4.988	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)CC1(C)CCCC1	2027517135	DCJLARMBUCMLBO-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CC[C@@](O)(CCC[C@@H]1CC1(C)C)c1ccccc1	2027843892	UTUHNQZGVUVHMU-NVXWUHKLSA-N	246.394	4.501	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1ccc(C2CCC2)cc1	2028227227	BAOHYFMDLRWZGP-IAGOWNOFSA-N	246.394	4.670	0	10	BJAE	
N[C@@]1(CCCC2CCC2)CCCCC12CCCC2	2028483184	ANVVNRJQZVLZSR-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCCC(N)(CCC)c1ccc(C2CCC2)cc1	2028612908	UEFKCCBFXWXXHV-UHFFFAOYSA-N	245.410	4.708	0	10	BJAE	
CC1(C(=O)C[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)CCCC1	2029173017	ASVYYXWQNDIGRA-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@@H]1CC12CCC2	2032132688	RGRVEZZSHYFEHA-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CC[C@@H](C)[C@@H]1C(C)C	2035406364	BJBAJKHGHUMIPM-LYRGGWFBSA-N	249.373	4.617	0	10	BJAE	
CC(C)(C)NCC1(C[C@@H]2C=CCCC2)CCCC1	2035591114	VKFCSUXERSXZDP-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCC1)C(C)(C)C1CCCC1	2035603036	YAYQZKOVLIBTNS-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CC12CC2)CC1CCCCC1	2038167133	RFFJRMDJVCPVIY-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C2CC3(C2)CC(C)(C)C3)C1	2039417060	BOABLBZWCZHATD-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2CC[C@@H]3C[C@H]3C2)CCCCC1	2039847921	FBTRRMUGQUHKIH-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2C=CCCC2)CC1	2041380890	WKBDNZIPCSVEAQ-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@H](C)C1)[C@]1(C)CC=CCC1	2042024912	QIFXQTIAQOGFHF-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@H]1CCC12CCCCC2	2043682487	HJJAKTDQAYBKHN-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@@H](C)C1CC1	2045329240	MKPOBWBTBHGYBR-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)[C@H]1CCCC(C)(C)C1	2045392770	XMRDETJDLWDZCD-HOCLYGCPSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C2CC3(CCC3)C2)C1	2045401037	PHDZMPYKKYALOZ-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
Cc1oc2ccccc2c1C(=O)CC1CCCC1	2045584411	JKYLOFAONRMCGI-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CCN[C@@H](CCCC(C)C)c1cccc(CC)c1	2045699747	UCTBJOOPIDBKCU-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@@H]1C=CCCCC1	2045999904	JNMJIRVTCQYSOE-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H]2CC[C@H]3C[C@H]3C2)cc1	2047349734	OHMDXJBSFSNTSO-NZUILWFCSA-N	244.378	4.768	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCCC1)[C@H]1CC[C@H](C)CC1	2049681038	KAHHAKRRQTVKEB-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H]2CC[C@H](C)CC2)c1	2049690104	PDVGSFOLLBSFKV-CKEIUWERSA-N	246.394	4.670	0	10	BJAE	
CCC1(NC[C@H]2CCCC3(CC3)C2)CCCCC1	2049852631	HPCPETAZEQUKIA-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CN[C@@H](CCC1(C)CCCC1)c1ccccc1C	2050461152	QUCJBNPBGDCQNV-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CC(C)=C(C)CCN1CCCC2(CCCC2)CC1	2051603828	CXLPOUXDYUCIHR-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CCC1(CC)CCC(N)(C2CC3(CCC3)C2)CC1	2051618859	XIGONDXOTXZWLA-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
c1cc(N[C@@H]2CCCCC23CC3)cc(C2CC2)c1	2053330719	DSNICCLYLYLBNJ-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@@H]1CCCCC12CC2	2053413368	TYGAFWHSYVBAPK-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)Nc1cnccc1C(C)C	2053856131	JMZCALNMRGRDEO-KGLIPLIRSA-N	248.414	4.688	0	10	BJAE	
Cc1cc(Cl)cc(C(F)(F)F)c1C(F)F	2054883856	WPEOJYNCCXXTSC-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCC[C@H](CC(C)C)C2)CCC1	2055549995	QLHPIIUHHNWWMR-BRWVUGGUSA-N	249.442	4.680	0	10	BJAE	
CC1=C[C@@H](N[C@@H]2CCC3(CCCCC3)C2)CCC1	2055553577	AEUGPQGTJKGZED-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CC1(C)CCC(C)(C(=O)CC2C[C@H]3C[C@@H]3C2)CC1	2056535303	AOSDCMMZMKHMEC-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C1(C)CCC2(CC2)CC1	2056551445	FLXHUFCVNIJGIE-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCCC1CC(N[C@H](c2ccccc2)C(C)C)C1	2059391845	IHVMCQAXYTYKLF-PREGVCBESA-N	245.410	4.552	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2CC(=C3CCC3)C2)C1	2061738908	IEMXXSOJCAROGT-GUYCJALGSA-N	247.426	4.565	0	10	BJAE	
CCc1cccc2ccn(CCC[C@@H]3C[C@H]3C)c12	2062614677	IBKCJOIJZJRSKV-CZUORRHYSA-N	241.378	4.640	0	10	BJAE	
CCCC1CC(C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063418593	JBILLARAXXJSCI-KVXYAPCNSA-N	248.410	4.598	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063490197	IZXUFGASROCJJN-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@]1(C)C[C@H]1C)c1ccccc1	2070967034	LWALISVRDOXHDE-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CC23CCCCC3)CCC1	2071941184	QRHSTUBUELNHHL-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](NC)[C@@]2(C)C=CCC2)CC1	2072794959	ZFRZSGVDAGLXQJ-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)[C@]2(C)C=CCC2)CC1	2072795016	ZUPSJMJLRJUUML-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CCC1(CC(=O)[C@@H]2C[C@H]3CCCCCC[C@@H]32)CC1	2074591443	QHNVYKWHGJAWNZ-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCCC3(CCCC3)C2)C1	2074888350	KAYKNSJWLRKING-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCCCc1ccc([C@H](O)CCCC2CC2)cc1	2077927046	ADQWCLCSGHUEBK-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@H]2C[C@H]2C2CCCCC2)C1	2079491074	GSTKHZMNXKVRJV-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CNc1cccc2ccccc12	2079620777	RDWAPFRLBHUJJF-GDBMZVCRSA-N	239.362	4.544	0	10	BJAE	
N[C@@H](CC1CCCCC1)[C@@H]1C[C@@H]1C1CCCCC1	2079833684	WRLCGMFLUYAPCA-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C1CCCCC1)[C@H]1C[C@H]1C1CCCCCC1	2079838374	ILCHHNBOBRXIBN-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H]1CC(C)(C)CCC1=O)c1ccccc1	2083037860	DDOFAPRFXMSMMY-HIFRSBDPSA-N	244.378	4.576	0	10	BJAE	
CC(CCC(C)C)=C1CCCNC12CCCCC2	2083814596	SBADRCCFCCQSCP-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
C1=C[C@@H](CCC2C[C@@H]3COC[C@H](C2)C3)CCCC1	2085906478	SDVOAMALOUPYKX-MGNMYUMUSA-N	248.410	4.576	0	10	BJAE	
C1=C[C@@H](CNc2ccccc2-c2ccccc2)CC1	2096806697	NSOSHHHUMZUUET-OAHLLOKOSA-N	249.357	4.732	0	10	BJAE	
Cc1csc(C(=O)C[C@@H](C)CC(C)C)c1C	2210578395	NYJGQBUQKGRYAX-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
CCCCCC[C@@H](N)C1C[C@H]2CCC[C@H](C1)C2	2213287159	IWVJPRFTJJZRIB-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC)CCCCCCCC1CC1	2213576547	RAPNIPKKQPSALQ-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](N)CCCCCCC1CC1	2213581850	BCTFYLRVHNPUJU-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C/C=C/c2ccccc2)c(Cl)c1	2213823226	QFZIRMLIMBOLEB-VMPITWQZSA-N	242.749	4.904	0	10	BJAE	
CCCNC[C@]1(CC(C)(C)C)CC=C(C)CC1	2215831400	AGSJAZWXNKITBL-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CN(CC(C)(C)C)[C@H]1CCC[C@H](C(C)(C)C)C1	2216254299	YRUJBWTUGHAIOV-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)C)C[C@H](C)C(C)C	2217138067	LYMIQDHOZMCTAQ-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)C[C@@H](CNC1CCC1)C(C)(C)C	2217153367	LIWMCQSBIKKXQW-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
C[C@]1([C@@H](N)CCCCCCC2CC2)CC=CCC1	2218718869	SGJFFXYOODNLCD-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNCCCCCC1CC1	2218749782	LNASMBNTVPQZDO-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)[C@@]1(C)C=CCC1	2220028926	XGJVPJWWENAUHV-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@H](C)CC2CCCC2)CC1	2221638897	VPIZHGJDZZBGQI-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(CNC2CC2)CC=C(C)CC1	2221668047	NRIQPKTVXZQYAU-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C1=C(CNCCCCCCCC2CC2)CCCC1	2223104797	CHPWUARUDLBUCT-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(CNC2CCC2)CC=CCC1	2223542058	NVRBXHQCUNFIHC-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)NC[C@@]1([C@H]2CCC2(C)C)CC=CCC1	2223543244	XRFQEKPEIIYKKK-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)NCC1(C[C@@H]2CC[C@@H](C)C2)CC=CC1	2223601034	YQPXEXNIAUMSHC-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1ccc2occc2c1	2224157394	NGEXCZJDRZUXNK-UHFFFAOYSA-N	244.334	4.688	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1(C)CC(C)C1	2242707242	OVZWOAQSQQZZNP-JVWICGRDSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(-c2cc(=S)cc[nH]2)c(C)cc1Cl	2244022431	YGUCVVGUFCJNGJ-UHFFFAOYSA-N	249.766	4.681	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC(=O)C(C)C	2244871806	MRSOOJMVHSKCSC-CQSZACIVSA-N	226.404	4.844	0	10	BJAE	
CC[C@H](C)NC[C@H](C)CC[C@H]1CCC[C@@H](C)C1	2246680424	QZKAVHBLOIWVBH-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(NCCCC[C@@H]2C[C@H]2C)c1C	2247099520	UEHOOCIFVZAPMZ-UKRRQHHQSA-N	231.383	4.542	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@H]2CCC2(C)C)CC1	2247347912	NSMUFSSXCLZFOS-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C[C@H]1CCCC12CC2	2247599735	GFALVTFRVXUNCQ-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
Cc1ccccc1NCc1csc(C2CC2)c1	2248071740	YMBQZZXKMMZGJB-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C1CC(C)(C)C1	2248809991	XFIVQFYYQIYWHO-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCCCC[C@@H]1C[C@@H]1C)[C@H](C)CC	2248821046	PRNVQNKFIZSDGE-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](C)(N)CCCCC[C@H]1C[C@H]1C	2248843275	UARDIWIXIGLYNP-PMPSAXMXSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(C)CCCCCN1	2248869364	HNVAATHBVJDDNK-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](Nc1cccc(C(C)(C)C)c1)C(C)C	2249311511	UJQVPFDCCYEGAI-OAHLLOKOSA-N	233.399	4.831	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)C[C@H]1CC[C@H](CC)CC1	2250356159	PNJFYBJGCZIKTP-FPCVCCKLSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CC[C@@]1(O)CC[C@H](C)CCCC(C)C	2250495281	GUCSITNZNIIMJS-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)[C@H]1CC1(C)C	2250513397	GKZZIUZYBBUTMJ-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H]1[C@@H](NC)C(C)(C)CCC1(C)C	2251711758	KCDFXPDUEORZGI-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C[C@H]2CCCCC23CC3)C1	2253831484	JGEVRFACGFFFDN-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(NCC[C@@H]2CCCCC23CC3)C1	2253888109	CMGXVXLOZITUJJ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N)CCCC12CC3CC(CC(C3)C1)C2	2254000564	FPUQQAITLXZSOO-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(C(=O)[C@H](C)C1CCCCC1)C2	2254478394	FRWBYUQZAQHNCW-URMCTSMKSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)ccc1NCCCC[C@H]1C[C@@H]1C	2254520867	JKJVJYRERSWJAO-JSGCOSHPSA-N	249.373	4.626	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@H]1CCCC12CC2	2255247279	QDVOKTMHBSEZFO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(NC[C@]23CCCC[C@@H]2CC3)c1	2260579791	TVHGXPQLOYVKTC-NVXWUHKLSA-N	243.394	4.686	0	10	BJAE	
CCCC1CC(C(=O)C[C@]23CCCC[C@@H]2CC3)C1	2260584975	YNIMNKRXVLGFID-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@H](N)C[C@]23CCC[C@H]2CC3)CC1	2260599237	DMGXAKRFJRSOPS-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCNc1cc(C2CC2)ccc1Cl	2300674012	PCHOQORUUSZBFS-CMPLNLGQSA-N	249.785	4.675	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@@]1(C)C=CCC1	2300680501	FCYOVXMZXOBAPC-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCC[C@@H](N)c1cccc(C)c1	2300683114	GIVVKJBTMHHNMH-MRXNPFEDSA-N	233.399	4.601	0	10	BJAE	
CCC(CC)CC[C@](C)(N)C1(C)CCCCC1	2300696183	ANHPGWFMIBWDPY-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@H](N)C1(C)CCCCCC1	2300698593	AZSNGCSFHJBPAM-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](C)CNCC=C(C)CCCC(C)C	2300861382	RCSQQUGTGHUBBJ-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CC(=CCC1=C[C@H](O)CCC1)CCCC(C)C	2300866285	YWVCWRDDUYUWFC-MRXNPFEDSA-N	236.399	4.620	0	10	BJAE	
CC[C@H]1CC[C@]1(N)CC=C(C)CCCC(C)C	2300898155	ATZWTMIFJUKRRQ-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCCNC[C@@H](CCC)CC1CCCCCC1	2301244518	NAFOOJASKQBDTO-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
N[C@H](CCCCC1CC1)CCC1=CCCCC1	2301903562	VJFGSYSMDLXOPA-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CN[C@@H](CC=C(C)C)CCCC1=CCCCC1	2302362213	WTNKIBPAYWXORG-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@H]1CCC(C)(C)C1	2302688817	AHRKKUPIDDNCNL-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@]1([C@H](C)CC)CCC(C)=C(C)C1	2303581851	CKQXFZJYRNPDKY-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@@](C)(O)CC[C@@H]1CCC(C)(C)C1	2304350897	CPCWRPRAJWTJKV-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)[C@@H](N)c1cc(C)ccc1C(C)C	2307506938	YEQBSJOZHTYKLO-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
CCC(C)=CCc1cccc(CC(F)(F)F)c1	2307660545	FPSCJZSTROULRF-UHFFFAOYSA-N	242.284	4.690	0	10	BJAE	
CCC[C@H](CC)C[C@@](CC)(CNCC)C(C)C	2307750891	ZXMXJOCGJOWAFP-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CC[C@H]1CNC(C)(C)C	2307826859	RGRJHBDYPRYEKT-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@@H](C(C)(C)C)CCN1	2307894429	MQXFSJHAJIDVER-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1C(C)=CCC[C@@H]1C	2307926812	RGAAHMJBIIQVOY-CAOSSQGBSA-N	237.431	4.523	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	2308505738	JQMPNUXZSRCZFP-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCC1CCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309181486	BBKDAYXWGHBJJO-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCC1	2313183948	YQIUHYVPMIIJTG-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)c1cccc(C2CC2)c1	2315944781	ZOHXQCRAPNUXIH-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
O=C(C[C@H]1CC=CCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316790579	JKNIGTGEZXJMRU-YHUYYLMFSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](CC1CCCCCC1)[C@@H]1CC12CC2	2316886866	YNJAYLOOMNRDLC-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H]1CC[C@]1(N)CCCC1=CCCCC1	2318581187	UACHFOQAGQNMSQ-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CCc1cccc(C)c1NCCCCCC1CC1	2318929228	RCKXWVJIQAJJFZ-UHFFFAOYSA-N	245.410	4.940	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)C1=CCCCC1	2318929635	TUGXMIZUVDFYKE-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(CC(=O)C[C@@H]2CC[C@@H]2C2CC2)CC1	2319501546	COBOEHKMOHIQOD-IDQHFDBOSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1CC[C@@H]1C1CC1	2319579148	QDOFAHUQGYELQH-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
C1CCCC(C[C@@H]2C[C@@H]3CCCC[C@@H]3CN2)CC1	2319879700	ZSKZKISOCYERAK-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@@H](NCC2(C)CCCCCC2)CC1	2320236951	FBUSSSQQZHIVCH-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1=C(C)C[C@](N)(CC2(C(C)(C)C)CCC2)CC1	2320266683	WYVDPPBHCFMCAF-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC[C@]1(C)CCCN(C[C@H]2CCC(C)=C(C)C2)C1	2320345777	BIKNPHACVGCZRA-DLBZAZTESA-N	249.442	4.635	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CC(C)(C)[C@@H]2C)c1	2320567488	KMUAXHRQWREAGN-IUODEOHRSA-N	244.378	4.675	0	10	BJAE	
CCCC1CCC(C=C2CN[C@H](C(C)C)C2)CC1	2321518310	NLOJSSTWTDNSMN-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
C=C=CC[C@H](CC[C@@H]1CCC(C)(C)C1)NCCC	2321608635	QWGYJAQRVQXXTE-HZPDHXFCSA-N	249.442	4.692	0	10	BJAE	
CCCCCCc1ccc(CCCCOC)cc1	2327899247	LMSDITIEGODOJE-UHFFFAOYSA-N	248.410	4.779	0	10	BJAE	
CCC[C@H](C)Nc1cc(Cl)cc(Cl)c1	5311011	VXFDISWDMVERLN-QMMMGPOBSA-N	232.154	4.594	0	10	BJAE	
Cc1ccc2nc(/C=C/c3ccccc3)ccc2c1	7586270	BRPDMIKQCQDAFG-CSKARUKUSA-N	245.325	4.714	0	10	BJAE	
CC[C@H](N[C@H](C)CCC(C)C)c1ccc(C)cc1	19982569	WHDFVRBSMBWMFO-WBVHZDCISA-N	247.426	4.860	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@H](C)CC(C)(C)C2)cc1C	20555606	UQIRIHLCEMFMTB-LRDDRELGSA-N	245.410	4.930	0	10	BJAE	
CCC[C@@H](Nc1cccc(F)c1)c1ccccc1	21802481	YEYKOAYNMPASGB-MRXNPFEDSA-N	243.325	4.779	0	10	BJAE	
c1ccc(-c2cnc(-c3cccs3)s2)cc1	34293525	IODHFOFATXAXON-UHFFFAOYSA-N	243.356	4.539	0	10	BJAE	
C[C@@H](Nc1ccc2sccc2c1)c1ccco1	36976223	CIMDRAXQZZKBKA-SNVBAGLBSA-N	243.331	4.667	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)c1sccc1C	50326740	FIUGENMWNRPYDJ-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2cccc(Cl)c2)CC1	83427100	WFYLYMMECNWHRI-YPMHNXCESA-N	237.774	4.721	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C)c1C	85085470	GUGMFXKLUCCGSW-DETPVDSQSA-N	231.383	4.540	0	10	BJAE	
CCCCC(C)(C)[C@H]1CC[C@H](C)C[C@@H]1NCC	85157024	ROKYZZBARBFBAR-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](NCCC)c1sccc1Cl	87622454	QXGNIKYKHSSUFV-LLVKDONJSA-N	245.819	4.632	0	10	BJAE	
Cc1cccc([C@@H](CCC(C)C)CNC(C)C)c1	93126936	WOJKORIHQFRFEE-KRWDZBQOSA-N	247.426	4.513	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1	109751779	LZMKXLHGERIFRU-WOSRLPQWSA-N	243.394	4.585	0	10	BJAE	
Cc1cc(C)c([C@H](C)NCCC(C)(C)C)c(C)c1	123884369	YRTZMZVBSBVGEM-HNNXBMFYSA-N	247.426	4.699	0	10	BJAE	
CCCN[C@H](c1csc(C)c1)[C@H](C)CCC	129481426	SCJBUYRHZGKVMC-RISCZKNCSA-N	239.428	4.533	0	10	BJAE	
CCc1cccc([C@H](O)CC2CCCCCC2)c1	132913832	IQYXEAQMBZRLNX-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)C1CCCCCC1	149747183	ZKAHUNKYTWLCNP-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](O)(C2CCCCCC2)C1	167599527	XHOZGSBOHBOJKK-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@@H](NC2CCCCCCC2)[C@@H](C)C1	226160210	KAFGSGLFTFIQMM-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CCCCC1(C)C	226819028	NTTFTZPKXCIJKC-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@@H](C)CC(C)(C)C	229556983	OIJSBAFSKBZJKU-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)Cc1cccc(-c2cc(=S)cc[nH]2)c1	232654641	GWRYEMWWRGWUCA-UHFFFAOYSA-N	243.375	4.610	0	10	BJAE	
CCCC[C@H](NCC1(CC)CC1)c1ccccc1	232988858	VWXVVXICUDJSAR-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
C[C@@H]1CC[C@H](c2c[nH]c3ccc(Cl)cc23)C1	235378180	ROYBLLOOLQGMLD-ZJUUUORDSA-N	233.742	4.725	0	10	BJAE	
Cc1sc(C=O)cc1-c1ccc(C(C)C)cc1	257602235	UBYUZBQXYRFMFN-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CC[C@@H](C)c1ccc(C(F)(F)CC)cc1	259068881	XTZKDHYJFBCIEM-SNVBAGLBSA-N	212.283	4.702	0	10	BJAE	
CCC[C@@H](C)[C@H](O)C1CCC(C(C)(C)C)CC1	300464721	KPJHQUKMZVYEKN-URGYJCLVSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H](C)CNc1ccc(Cl)cc1F	300738056	ALYDDYUYTMKOHM-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)c1csc(C)c1	300919430	KYSLJRGXQABEOG-RISCZKNCSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H](C)CC(C)C	300945005	PDBJCRXUPJLQIP-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCc1cc(N[C@H]2CCC[C@@H]2CC)ccc1C	302282953	JHPOXHUUTKBPDY-BBRMVZONSA-N	231.383	4.548	0	10	BJAE	
CCC[C@H](C)CC(=O)C(C1CCC1)C1CCC1	304401587	BJZVSVGYBRDLQW-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)CNc1cccc(C(C)C)c1	305984792	RXOKNOPPEVKEFM-CQSZACIVSA-N	233.399	4.904	0	10	BJAE	
CCCC[C@@]1(CC)[C@@H](CNC(C)(C)C)C1(C)C	306056822	XUEBWPFAVHONEF-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)cc2c(C(F)F)csc12	307293396	FJJWCASDRCDMJK-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@H](CC(C)C)c1nc2c([nH]1)C[C@H](C)C[C@H]2C	308085100	FOPPUYNSONHIEW-JHJVBQTASA-N	248.414	4.635	0	10	BJAE	
CCCCCCNCC1CCC(C(C)C)CC1	310195399	FOCOTVUBPMOXIA-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](O)CC2CCCCC2)C1	310387733	ICRQESQRIGJQGW-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@H](N)C1CCCCC1)C1CCCCC1	310486950	NDJGCXVAZNJZCW-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(C[C@@H](N)C(C)(C)C(C)(C)C)CC1	310525677	XWYVGBFFUMDLHR-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H](CC)c1cccc(C)c1	310710816	ULSYFDPDZHEWTO-IRXDYDNUSA-N	245.410	4.614	0	10	BJAE	
CCC[C@](O)(C[C@H](C)CC(C)C)C1CCCC1	313440885	ZRRGBGAMCCNCAA-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](N[C@H]1CCC12CCCCC2)C1CCC1	324821356	WHMZYAGZDKZPCJ-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CC2CCCCC2)CC1	328483239	SFJFYNRTJJBFEM-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](CCC2CCCC2)c2ccccc2N1	385317777	HPIRQLZJCXBEIE-DZGCQCFKSA-N	243.394	4.945	0	10	BJAE	
Cc1cscc1NCc1ccc(C2CC2)cc1	387369624	WHFOUBSJODUMSU-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CCCCC[C@H](N)CCCCCC(C)C	394873297	VBQKWMMRBYRMTC-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
CCc1sc2cccc(CC)c2c1CC	396206593	NCRZNGOXGDJERK-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CCc1cc(F)cc2scc(C(F)(F)F)c12	396301042	QLTVNWPMGWIUGN-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
Cc1scc([C@H](N)CCC2=CCCCC2)c1C	399927722	NRDCWXFEKYYZHU-OAHLLOKOSA-N	249.423	4.645	0	10	BJAE	
Clc1cccc(NCC2=CCCC2)c1Cl	401148105	CMDSULYZMZGUDZ-UHFFFAOYSA-N	242.149	4.516	0	10	BJAE	
CCc1ccc(NC[C@H]2CCCC[C@@H]2CC)cc1	401573220	GJEXYQAXWCOTBO-JKSUJKDBSA-N	245.410	4.877	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CCCC1(C)C	402340786	JQCXCYYGMYLTFN-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc2c(c1)CCCCC2	404743780	FZSVKDDEQYDCTB-MRXNPFEDSA-N	245.410	4.946	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CCC(C)(C)C1CC1	405769308	ZFXQIYTUQABIDL-HNNXBMFYSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1(CCC)CCC1	686925086	SZJFMYVBDUJVBL-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CCCc1ccccc1NCC1(CCC)CC1	687548853	XDZVPYAOQDGFBV-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CN[C@@H](CCCC1CCC1)c1cccc(C)c1C	688358422	KMMUQMANQLLYCR-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC[C@H]2C)c(F)c1	691084364	XAQNNMOAUPEAJA-OCCSQVGLSA-N	235.346	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1Nc1ccsc1	691148800	KXGMISDYWQOBKM-KBPBESRZSA-N	237.412	4.765	0	10	BJAE	
CC(C)(C)NCC/C=C\C[C@H]1CC2CCC1CC2	691698906	HYKGAUUXAISFDX-WENUISLWSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)C1CCCCCC1	692058571	KUZDEWUUGAAAMS-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H](C)C1CCC1	692677133	IXDLLUMHFSCXTM-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](O)[C@@H]1CCC[C@H](C(C)(C)C)CC1	695129687	WNQPEWBQNWFBBW-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
Cc1c(Cl)cccc1OC[C@H](C)CC(C)C	702634779	UNAGVCGIEAFXMV-LLVKDONJSA-N	240.774	4.709	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@]1(N)CCCCC12CCCC2	704861195	PEDUOTWIMVHYHA-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@](N)(CCC1CCCC1)C(C)(C)C	704888597	KYGDENGJAJWDNP-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CC[C@@H]2CCC[C@@H]21	707862577	UQGNYGSMVCSVQN-FPMFFAJLSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@H](C)CC(C)(C)C)C1	709188093	NCNMEDIOZKQMGA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(C[C@@H](C)CC(C)(C)C)C(C)(C)C	709211952	JXVNNKKROHSXPC-XJKSGUPXSA-N	241.463	4.993	0	10	BJAE	
C[C@H](C[C@@]1(O)CCC(C)(C)C[C@H]1C)C(C)(C)C	710736369	JRFSPEYCDYRGMR-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C[C@H](O)c1cccc(C)c1C)C(C)(C)C	711087326	OIQJZIZEPRIGBC-HOCLYGCPSA-N	248.410	4.799	0	10	BJAE	
C1CCC(CCN[C@@H](C2CCCC2)C2CCC2)C1	711863043	MUVSFYRTCUDUDC-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(N[C@@H]2C[C@H]3CCCC[C@H]32)cc1	712454035	OMBCOAIQWRNCDJ-DJIMGWMZSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C(C)C)CC(C)C	713140507	LKPQDWZDHGDMKS-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C1CCC(N)(CC(C)(C)C)CC1	713177101	YWBSLJHHTWQNQO-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)(C)C[C@@H]1O	717488187	LCIILGGCVVQRTA-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H]2CCC(C)(C)CC2=O)C1	717529565	CHPPGJBSYZDCIJ-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CNC[C@]1(CCC(C)(C)C)CCC=CCCC1	718996355	HNTSIXCNAJNXJU-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(C(=O)C2CCCCCCC2)c(F)c1	721283394	HSKMUDJEBUFPPY-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
N[C@]1(CCC2CCCC2)CC[C@H]2CCCC[C@@H]2C1	723613894	RZUOITDSQWIVCS-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
C1CCC(CCCN2CC[C@@H]3CCCC[C@@H]32)CC1	1460299417	GQSDCNDBCXJEOJ-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
CCC(CC)CCC(=O)CC1=CCCCC1	1900692682	GKYBUAIQIHCJBT-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCSc1ccccc1NCC=C(C)CC	1900839844	XBFPHQMFGRLAJE-UHFFFAOYSA-N	235.396	4.567	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H](C)[C@@H](C)C(C)C	1901618159	OZXZFWITOZLTSF-MJBXVCDLSA-N	226.404	4.700	0	10	BJAE	
C[C@H]1[C@@H](C/C=C/c2ccccc2)CC1(C)C	1901826423	PIQJDFZZWIBABR-FMAWOHHVSA-N	214.352	4.772	0	10	BJAE	
CCCC[C@H](N)CCC[C@H]1CCC(C)(C)C1	1903422626	QZWADAMEXODBJD-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCC(=O)[C@@H]1C[C@H]1C1CCCCCC1	1910659516	KZKHTVRCZQWCLG-LSDHHAIUSA-N	234.383	4.518	0	10	BJAE	
Cc1cc(NC[C@@H]2C[C@H]2C2CCCCC2)cs1	1910736230	QALBQLQEHWJCMP-ZFWWWQNUSA-N	249.423	4.685	0	10	BJAE	
C=CC=CCC[C@H](CC1CCCCC1)NCCC	1912096260	VNKXDPKFVSCGGO-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CC(C)C1CC(C(=O)CC2(C)CCCCC2)C1	1921288351	VTQPZGNFBFFELZ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CNC[C@@]1(CC2CCCCC2)CCCC12CCC2	1921611081	RAVLWCUEKMTIDX-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
C1=C[C@H](CC2[C@H]3CCCC[C@H]23)CCCC1	1925814829	PQJCQGRJGAYDLQ-IHRRRGAJSA-N	204.357	4.559	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCCC1)[C@@H]1C[C@H]1CC	1925949881	VPQVOMUDZMDAPT-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
FC1(F)CCC[C@H]1CCC[C@H]1C=CCC1	1932593464	SEVFVMADGUAWAF-NWDGAFQWSA-N	214.299	4.558	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)CCCCCC(C)C	1936200081	YAUWZISLHZQOOZ-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](CC1(C)CCCCC1)C1CCC1	1940411696	ZFQGKKLBASVCQB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)C(C)(C)C1CC1	1941140303	RWSODAUYPHQZTO-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)CC1(C)CCCC1	1941266379	DYGRLQITKBOPPH-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NCC)C(C)(CC)CC	1941274124	WNGIMRVRWIPMAR-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](C)[C@@H](CCCCCC1CC1)NCC	1941588245	ZWDXUOKMGUQBLU-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)CCCCCC1CC1	1941595571	JBBBTSSKEMRJBY-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@H](CC(C)C)C(C)C	1942654920	DXSBWFHCXFCVHK-LSDHHAIUSA-N	240.431	4.946	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCC12CCCCC2	1942813948	ZCQWUIOCFGWFLT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC(C)(C)N[C@@H]1CCC12CCCCC2	1946981755	LRAVUDXLHDPOLE-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CC=C[C@H](C)NC1CCC(C(C)(C)CC)CC1	1947056109	BFUSLAUJLWDADA-NFOMZHRRSA-N	237.431	4.536	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1CC2(CCC2)C1	1949841798	CLISXIWULLLTAJ-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(=O)C1CC2(CCC(C)(C)CC2)C1	1950545398	LKLZKYBYEAAITD-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCNCc1sc(C2=CCCCCC2)cc1C	1950824990	UKMOJPKWOQGYGS-UHFFFAOYSA-N	249.423	4.514	0	10	BJAE	
CC(C)NC[C@@]1(C(C)C)CCCC(C)(C)CC1	1950920543	WJZMCNNUVKZZPV-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@H]1CCC[C@H](C)CC1	1950930335	OFZNCUKVPZZQSC-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CC(C)=CCC[C@@H]1CCCC(F)(F)C1	1956135123	NEFGKWUDONSQNL-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@@H]2CCCCC23CCC3)C1	1966433593	FMMAOJQSPXDAAM-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CCC(N[C@@H]2CCCC23CCC3)CC1	1967704046	ZYCYNJICPLORPK-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CCN[C@H]2C[C@@H]2C2CCCC2)CC1	1967828007	OOQKQLHZQLHONT-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(NC2CC[C@H]3C[C@@H]3CC2)CC1	1967834264	JJOJDCFCMBGVAL-JCAIJIATSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CCC[C@H](C)C2)cc1	1968269823	GAAINJSJVAFDIX-GJZGRUSLSA-N	232.367	4.590	0	10	BJAE	
Cc1ccc(NC2CC3(C2)CC(C)(C)C3)c(F)c1	1968326492	IRSAELPUBDPCQZ-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCCc1ccc(N[C@H]2CCC[C@H]2C(C)C)cc1	1968408756	YDOPFWCJOWKCCJ-IRXDYDNUSA-N	245.410	4.876	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)C2CC3(CCC3)C2)C1	1970281579	OADLPWLRIGCZQW-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H]1CC[C@H]1NC1CCC2(CCC2)CC1	1973043737	RAVFJZBPBQWINZ-GDBMZVCRSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](NC[C@H]1CCCC12CC2)C1CCCCC1	1973088209	XDQSSCBTAUZAIR-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CCC(=O)c1ccccc1Cl	1980684809	KTWCJKPLVPHCNY-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CCCC(CCC)CNCC[C@H](C)CCC	1981289543	YIHBYFOSOSPYBQ-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CCCCC(C)(C)N[C@@H]1CCCC(C)(C)C1	1987101233	FQXTXEOIXNFWSU-CYBMUJFWSA-N	225.420	4.514	0	10	BJAE	
CCCCC(C)(C)NC[C@H](C)CC(C)(C)C	1987102308	QVDQMMTVLQNIFV-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H](C)CC(C)C	1990090006	UIUASZLRZIFTTC-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CCCCC[C@@H](CC)NC1CC(C)(CC)C1	1990094352	VGGCFTASTLFFAB-WLYUNCDWSA-N	225.420	4.514	0	10	BJAE	
CCCc1coc2c(C(C)C)ccc(C)c12	1995444125	HNMLYKQVZYJRQS-UHFFFAOYSA-N	216.324	4.817	0	10	BJAE	
CCC1(N[C@H]2C=CCCCCC2)CCCCC1	1995692118	YPUYHHHWDMEKLP-HNNXBMFYSA-N	235.415	4.578	0	10	BJAE	
CC(C)(C)[C@@H](N)CCC[C@@H]1CCC=CCCC1	1999994916	ZQHYVFNWHBMBHR-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)[C@@H]1CCCC(C)(C)C1	2000041267	KLEPGAXRTXFSCJ-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CCCC1CC1)CC1(C)CCCC1	2000383144	VIBRTZNYYWRJHW-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H](C)[C@@H](C)CC)CC1	2002926238	OWXNPAXWSOMTPY-QHSYURCPSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCCCC[C@@H]1N	2003097643	HLOVHZMOCVMRCA-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCCC(F)(F)C1	2003199096	HGMNTYMQXVLMKC-QWHCGFSZSA-N	247.373	4.513	0	10	BJAE	
CC=CCCC[C@@H]1CCC[C@H]1CNC(C)(C)C	2009617247	QMCNLVXFZFYCOA-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N)(CC2CCCCC2)C1	2009791119	HZQKGDOPLQFPHF-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
Fc1ccc(CCC2CC(=C3CCC3)C2)cc1	2011087398	ORAXVRQHCVDULF-UHFFFAOYSA-N	230.326	4.649	0	10	BJAE	
CC(=O)c1cscc1-c1ccc(C(C)C)cc1	2013669307	ZVHPRDGCFWPULQ-UHFFFAOYSA-N	244.359	4.741	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2015194006	LOBCZAACVILTGB-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)C(C)(C)C(C)(C)C	2015278231	MNULZFARFXJIFM-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C[C@@H](N)C[C@@H](C)C(C)(C)C)C(C)C	2015284464	NYNOLFSKYZIXSX-KGLIPLIRSA-N	241.463	4.704	0	10	BJAE	
CC(C)C(CC[C@](C)(N)CC1CCC1)C(C)C	2015361413	UJERGDBZNFLDIA-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CC(C)CNC[C@@H](C)CCC(C(C)C)C(C)C	2015408998	NGYDKUXDJCHMIT-HNNXBMFYSA-N	241.463	4.577	0	10	BJAE	
CCCC1(C[C@H]2CCCCCC[C@H]2O)CCC1	2015635009	UXUCOPYPQMEGIJ-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@]2(O)CC[C@@H](C)[C@H](C)C2)CCC1	2015639003	BFNMJWVHNSLRIZ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@](C)(CC)CNC2CC2)CCC1	2015641473	FPBYRRDETMUBRT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccc(C)c(C)c1	2016146210	UNTXSMWATDREPI-OAHLLOKOSA-N	231.383	4.850	0	10	BJAE	
CC(C)(C)C1(CSc2ccc(N)cc2)CCC1	2017144539	VKBXRVOIKFQNQA-UHFFFAOYSA-N	249.423	4.577	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)CC2CCCC2)CC1	2017647504	FZRBZFAPDHLMFV-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@@H](CC(C)C)NC)CC1	2017723481	KEEXLMRIWJIUDP-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@@H]1CCC[C@@H](C)CC1	2017742850	RGHCAEZMDCTROC-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CC(=O)CCC(C)(C)C)CC1	2017767166	MYWSOVZEOQTTBN-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](CCC1(CC)CC1)CC1CCCC1	2018985339	OVLOPBGMBRMYII-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCN(C)[C@H](C)CCC(F)F	2019343322	YQZYIDMEXRDWJS-CYBMUJFWSA-N	249.389	4.568	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N(C)C1CCC(C)(CC)CC1	2019383708	DNULOGFVTLMLGZ-WXLSXGNJSA-N	239.447	4.712	0	10	BJAE	
CC(C)c1ccccc1O[C@@H]1C=CCCCC1	2019540045	ADBWPERIWWVXKI-CQSZACIVSA-N	230.351	4.688	0	10	BJAE	
CCC(C)(C)c1csc(C2C[C@@H]3CC[C@H]3C2)n1	2022190355	WMOHLSCQVAVUJE-QWRGUYRKSA-N	249.423	4.734	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1C[C@@H]1C1CCC1	2022319650	BJIKERMNMBEPMA-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](N)[C@H]1C[C@@H]1C1CCCCCC1	2022536392	RBIXWZLHDUTWEU-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](C)CC(C)(C)C[C@H]1CCCC(C)(C)C1	2024091358	HRMYYYUSHBSIQQ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CC(=O)C[C@H]2CC[C@H](C)CC2)C1	2025418144	BGAKEPNFARSGAT-NZFPVTAUSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC1CC(CC)C1	2026168128	XTFZPGCHIDQCSC-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](c1nc2c([nH]1)[C@@H](C)C[C@@H](C)C2)C(C)C	2028264774	QBOKVNGZIJJEOO-AGIUHOORSA-N	248.414	4.635	0	10	BJAE	
Fc1ccc2ccn(CCCCCC3CC3)c2c1	2028634481	RSWIPYLEIKKOIP-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
CC1(C)C[C@@H](N[C@H]2CC[C@H](C)CC2)CC2(CC2)C1	2030279982	RXRGKJTVTRRKNL-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)C(C)(C)C(C)C	2032344927	XIVFGQPDJSMQJT-MRXNPFEDSA-N	247.426	4.753	0	10	BJAE	
C[C@@H]1CCC[C@H](CNC2(C3CCCC3)CCC2)C1	2033048204	HWYFSTARTAGPKK-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)[C@H]2C(C)C)cc1C	2035406915	FIWXYCRGFJHIKM-KBRIMQKVSA-N	245.410	4.786	0	10	BJAE	
CCCNC[C@]1(C[C@H]2C=CCCC2)CCC[C@@H]1C	2035601007	NVIKRTFMKURIHE-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC1CCC=CCC1	2037207676	DMFZJQPBBVDJMN-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CC(C)NC[C@@]1([C@H]2CCC(C)(C)C2)C=CCCC1	2037694088	KGOURRLRCVNPOA-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCC1)CC1CC2(CCC2)C1	2037972799	QNIMTGZAPYGXDH-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1NC[C@@H]1CC12CCCCC2	2039058437	MUBCDMYTGSSPPF-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2[C@H]3CCC[C@H]23)CC1	2039387555	XOQWKMSABCTJPF-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)[C@@H]2C=CCCC2)CC1	2043195606	WCGLGASBRSQYHO-WLYUNCDWSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@H]1CCC=CCCC1	2045310316	NIPFEDKGMUMXNK-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@H]1C[C@H]2CC[C@H]1C2	2045310685	FLOWCAOMFQZGHV-UGUYLWEFSA-N	246.394	4.518	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@@H]1C(C)=CCC[C@H]1C	2045750868	YLCCWZAUMLOSNR-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@@H]1CC(C)=C[C@H](C)C1	2046910115	CRLIMDJIALVWCW-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@]1(N)CCCCC12CCCCC2	2047562826	WFOULWYVBXGPST-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCC1(C[C@@H](C[C@@H]2CCC23CCC3)NC)CCC1	2047928483	KKXDUECKWSOGKO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@]1(CNCCC)C[C@H]2C=C[C@H]1C2	2049469297	UYOJPIHPHMVDAM-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC([C@](C)(N)C[C@@H]2CC23CC3)CC1	2049486014	YEBCUBOAETZLLB-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H]1CCCCCCC1=O)c1ccccc1	2049705833	WJWAXLQAQOGSNX-GDBMZVCRSA-N	244.378	4.720	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@H]1C[C@@H]1C=CCCC1	2049707151	GFPYHORBDVKPHJ-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@]1(C[C@H]2CCCC3(CC3)C2)CCCN1	2049856915	MDVWAHPCKKGBQW-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@H]1CCC2(CC2)C1	2049955376	UIFRNVXVYFFQHK-LZWOXQAQSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H]([C@H]1CCC1(C)C)[C@@]1(C)C=CCCC1	2050002364	HJFIZBBXFBDYQV-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CCC(C)CC1)[C@]1(C)C=CCC1	2050008134	SHLJEAPZONIFPY-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CC(=O)c1ccc(F)cc1	2050495365	SRMAFJWBFQYKMK-GXTWGEPZSA-N	248.341	4.615	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1ccc(C)c(F)c1	2051397756	BYGXJWWKPGPSCZ-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H]1[C@H]2CCCCC[C@H]21	2051400979	MBVUKJLJSYIXGA-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@]1(CNC2CC2)CCCCC12CCC2	2053352696	PDMRACKQMLZKJA-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(C[C@]2(N)C[C@H]3CCCC[C@@]3(C)C2)C1	2056640347	OMSSZIHLMGKCRH-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
C=C=CCC[C@H](NCC)[C@H]1CCC[C@H](CC)CC1	2061567097	UZBKSDYBABDRRI-ULQDDVLXSA-N	249.442	4.692	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@@]23CCC[C@H]2C3)C1	2061608004	UTTCDPWPFGOVRY-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](N)(CC[C@]12CCC[C@@H]1C2)[C@@H]1CC1(C)C	2061619180	ZINXORGYTMCECH-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)(CC)CNCC1CC(=C2CCC2)C1	2061647261	OOIJBNMMUPRHLQ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC1([C@@](C)(O)CC2CC(=C3CC3)C2)CCCCC1	2061685639	UAQHFMLMBPCWHA-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC1CC(=C2CCC2)C1	2061695267	AWUNHOCRAOBNBM-WBMJQRKESA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1N[C@@H]1CCCCCC12CC2	2062016371	GKTIXXBMXAWYGX-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)[C@@]12CCCC[C@H]1CCC2	2062647370	SPPZXXSUSXGJML-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC1C[C@@H]2CCC[C@H]2C1	2063525303	TXXKMDGGXGIJDL-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@H](NCCC)CC(C)(C)C1	2063635745	JWFLRVMMAYCJGQ-CVEARBPZSA-N	249.442	4.703	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC23CCC(CC2)C3)CC1	2065276301	CCXNFIPFZPTGDC-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)c1ccc(C)cc1C	2068823414	QWORZFPMOWUAOH-WMLDXEAASA-N	247.426	4.636	0	10	BJAE	
Cc1cc(C(=O)CC2C[C@@H](C)C[C@H](C)C2)oc1C	2068917493	RLJCTHFJJMFLMC-QWRGUYRKSA-N	248.366	4.542	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2C[C@H]3CCCC[C@@H]32)CCC1	2071926523	QDALFKRTMYISNF-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(CNC2(C3CC3)CCCC2)CCC1	2071948575	HWXHGDIJZUPDGM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1cccc(C)c1F	2072416873	KBPOZJGTEXVDJQ-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2072874604	DARXRDBKLJKAFI-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C[C@@]12CCCC[C@H]1C2)C1CCCCCC1	2074029850	QCLHRRGWILCBBR-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NC[C@@]23CCCC[C@@H]2C3)cc1	2074047008	NRWCRXSJCXQASL-WBVHZDCISA-N	243.394	4.802	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C)[C@H]2C=CCCC2)CC1	2075084045	IDUASCLWAQLRKB-ULQDDVLXSA-N	249.442	4.633	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCCC2)CCCC1(C)C	2075374258	WAMIDOWTIVJZHA-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H]1[C@@H](C[C@@H]2C=CCC2)CCCC1(C)C	2076399516	BWCOJGSWBBBZMK-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H]2C[C@H]2C2CC2)CC1	2079293083	BNQUHMMVAACBTJ-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2C[C@H]2C2CCC2)CC1	2079330429	YJNNGNGSYNBQAN-GDVJOBBMSA-N	248.410	4.598	0	10	BJAE	
CCCC1CC(N[C@H]2C[C@@H]2C2CCCCCC2)C1	2079536934	ONWVPILYQIXYCQ-BNICSPFPSA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2C[C@H]2C2CCCCC2)CCCC1	2079817938	HDHMHUYKLWKQBJ-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1C[C@@H]1c1ccccc1	2079841973	LTOYBJIKBDUYIY-GOEBONIOSA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@]1(N)CCCC12CCCC2	2079865071	NYDNYWYZIUTUPZ-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
Cc1coc(C)c1[C@H](N)C[C@@H]1CCCC(C)(C)C1	2082991229	ONOWGRHUUZIGEH-UONOGXRCSA-N	249.398	4.503	0	10	BJAE	
CCC1(CC)C(=O)[C@@H]2CCCC3(CCCCC3)[C@@H]21	2083253056	NYVPXIVXRGXHKA-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CCCNC23CCCC3)C1	2083809205	PENKYQBIGOOSGV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C=C1CCCNC12CCCCC2)C(C)(C)C	2083812000	HWAYMCBLELTNLU-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
CCC1C[C@@H]2CC[C@H](C1)N2[C@H]1CCCC[C@H]1CC	2084423755	ABXAQXKJYQTQFJ-HZAFXNSLSA-N	249.442	4.608	0	10	BJAE	
CC[C@H]1C[C@@H]2CC[C@H](C1)N2[C@H]1CCCC(C)(C)C1	2084521189	VYPJULNAOJFJJZ-JONQDZQNSA-N	249.442	4.608	0	10	BJAE	
c1ccc2c(c1)CC[C@@H](c1ccccc1C1CC1)N2	2088952311	FPWYAWIUGISAAO-SFHVURJKSA-N	249.357	4.663	0	10	BJAE	
Cc1csc(C(=O)[C@H](C)CC(C)(C)C)c1C	2210566023	YIPIXUODFJUGCR-SECBINFHSA-N	238.396	4.620	0	10	BJAE	
CC1(C)CC[C@]1(C)NCCCCCCC1CC1	2213577511	CMAROFHHILHPFJ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC1(C(=O)CC[C@@H]2C[C@H]2C)CCCC1	2215345185	HYHFBZQRCVVILV-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC[C@@H]2CC2(C)C)CC1	2215823771	MPQXQDAFQYZGBN-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@]1(CNCC)CC=C(C)CC1	2215835001	LCEWBXUHVDXKAB-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
C[C@@H]1CCN[C@@H](CCCCCCCC2CC2)C1	2216862806	MBARGIXPGMJAIM-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](CN[C@@H](C)CC)C1CCC1	2217128091	YQWPIODUIMBRDM-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@]1(C)C=CCCC1	2220027773	LKISCBMYCXRXFX-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
Fc1cccc2ccn(C[C@@H]3C=CCCCC3)c12	2220307974	SALPTKCYTOKLMH-CYBMUJFWSA-N	243.325	4.527	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@@H]1CC[C@@H]1C	2220557464	HIBLPZFPNMTGRL-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1C[C@H]1CCOc1cc(C(C)C)ccc1C	2220957298	CYSCJEIOJSMGNI-GOEBONIOSA-N	246.394	4.933	0	10	BJAE	
Cc1cccc([C@H](O)CC2(C)CC(C)(C)C2)c1C	2221003129	MMPLKXNPFVQAFC-OAHLLOKOSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)[C@@H]2CC23CCCCC3)C1	2221029499	AIBZSTVEGHSWAT-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@]2(C)CC=C(C)CC2)CC1	2221622556	IHNBCSCVEVWTFD-HYVNUMGLSA-N	247.426	4.587	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2CCC[C@H]2C(C)C)CC1	2221642218	COKIBAPJKXHSAA-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2C[C@H]2C(C)(C)C)CC1	2221642581	HGOYURDFYQRXDG-CPUCHLNUSA-N	248.410	4.764	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2CCC3(CCCCC3)C2)CC1	2221668098	XKKPZDRUVWQBPD-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
Cc1cc(C)c([C@H](O)CC2=CCCCC2)c(C)c1	2221997979	DLGXDVWRAFUODQ-MRXNPFEDSA-N	244.378	4.536	0	10	BJAE	
Cc1cc(C)c(C2(O)CCCCCCC2)c(C)c1	2222002339	NXKCIDKOYZVNGN-UHFFFAOYSA-N	246.394	4.544	0	10	BJAE	
FC(F)CCCCNc1cccc2ccccc12	2222509833	FUTQUULMKFOQKA-UHFFFAOYSA-N	249.304	4.687	0	10	BJAE	
CN(CCCCCCCC1CC1)CC1CC=CC1	2223118449	KZPIHUCWVCGTNW-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(=O)c1ccc(C2CCC2)cc1	2223684213	OTJQFKJMVUJWCV-SJCJKPOMSA-N	242.362	4.573	0	10	BJAE	
CCCCc1ccc([C@@H](O)C(CC)CC)s1	2242605391	WNUPYBYIEUWXLN-AWEZNQCLSA-N	240.412	4.560	0	10	BJAE	
CC(=CCl)CNc1cccc(C(C)(C)C)c1	2244141247	LBXLFXYVDYRTKL-UHFFFAOYSA-N	237.774	4.539	0	10	BJAE	
CCC[C@H](CC)C(=O)[C@@H]1CCC[C@H](CC)C1	2244775296	MKLOYANGFOUYDE-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCCCCC1CC1	2244787590	GEKQIKWPVLCVHB-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCCCC[C@H]2O)C1	2246710223	SJXNFFKIZRMCEG-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC1(CO)CCCCC1	2247111942	IICVRKBHVDFQIW-GJZGRUSLSA-N	238.415	4.536	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CCCC[C@H]1C[C@H]1C	2247115357	VMKIBCLPYAYAQH-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2CCC2(C)C)C1	2247446042	GSMMXLFQRXKBQF-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@@H](O)CC1=CCCCC1)C(C)(C)C	2247509403	GTVFRMMNZKTWMH-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
C1=C(Cc2ccccc2C2CCC2)CCCC1	2247512949	LSFOGIWWVIOVPX-UHFFFAOYSA-N	226.363	4.997	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1CCCCCC12CC2	2250384633	NPNZDXNUACLFDH-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC(=O)[C@@H]1C	2250484788	HSASKQDSXSVXAC-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(N)CC=CCC1	2250518401	SAMNXVJVSLWOBG-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@]12CCC[C@@H]1CC2	2251211313	KMCPUHRNZKTMDI-OWCLPIDISA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H](N)C[C@@H]1CCCCC12CC2	2253789306	RLMIOOAPHZRJBA-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@H](N)CC[C@@H]1CCCCC12CC2)C1CC1	2253807282	JTKQEVRPDNMQHC-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1([C@@H](N)CC[C@H]2CCCCC23CC3)CC1	2253865192	OQKQYDICZIWXFL-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1CC1CC2(CCCC2)C1	2254113146	MOWHLYJNQSUZNU-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CN[C@H]1CCCCCCC[C@@H]1CC1=CCCCC1	2255138650	YMHXNRJJJHQLEZ-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
Cc1cccc(C)c1OCC[C@@H]1CCCC12CC2	2255309403	ABZAKPRZMNALQH-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
C[C@H](N[C@H](C)C1CCCCCC1)[C@@H]1CC12CCC2	2256428280	TWOZRMMRUHKAFB-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1cccc(C(C)(C)C)c1	2257960482	CZUXSZQGUXLXAZ-ZIAGYGMSSA-N	245.410	4.832	0	10	BJAE	
CC(C)CCCCC=C1[C@H]2CCC[C@@H]1C[C@H](N)C2	2258021138	APPPUJMOOHSNDY-ZSHCYNCHSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(N[C@@H]2CC(C)(C)C[C@@H]2C)cc(C)c1C	2258235165	GDALBAQJJQOPBT-XJKSGUPXSA-N	245.410	4.848	0	10	BJAE	
C[C@@H](NC[C@]12CCC[C@H]1CC2)C1CCCCCC1	2260573957	KFYCNFSGHUDWIM-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CCC(=O)c2ccccc2C2CC2)C1	2261502019	RERHGJZZQCSWSV-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
C[C@@H](CC1CCC1)n1ccc2ccc(F)cc21	2298873306	IRJHLEMYNNRQGN-NSHDSACASA-N	231.314	4.532	0	10	BJAE	
CCc1cc(C[C@H]2C=CCCCC2)ccc1C	2299630294	RJHUHVRNIAXIAI-HNNXBMFYSA-N	228.379	4.846	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCCC(F)(F)C1	2300676443	ORVQDGCPPVOAKF-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCC(CC)CC[C@@H]1CC(C)(C)CC[C@@H]1CN	2300699338	FPKDJWNSMSJTLG-HUUCEWRRSA-N	239.447	4.604	0	10	BJAE	
CC(=CC[C@H](N)[C@H](C)C(C)C)CCCC(C)C	2300874860	OVVPZNIIAOAHHS-CVEARBPZSA-N	239.447	4.769	0	10	BJAE	
CCCC1([C@@H](O)CC2CCCCCC2)CCC1	2301130723	BBMNEXFZXFMWRZ-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2CCCCCC2)C1	2301147898	OCSCLPGRLCYDRH-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCCCCc1cc(O)cc(C(F)(F)F)c1	2302224183	BZWUEGFKUOZCFU-UHFFFAOYSA-N	246.272	4.534	0	10	BJAE	
O=C1CCCC[C@@H](CCCC2=CCCCC2)C1	2302345325	QSXGOCRYJYCDDA-HNNXBMFYSA-N	234.383	4.807	0	10	BJAE	
Cc1cc(CCCC2=CCCCC2)ncc1Cl	2302345520	SZARSLFNWVYBRR-UHFFFAOYSA-N	249.785	4.867	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)CCCC1=CCCCC1	2302358144	CQIIGMFFWVGWKO-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)CC[C@@H](CCCCC1CC1)NC	2302569504	LKYLFTNBHSNYTK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@@H]1CCC(C)(C)C1	2302688814	AHRKKUPIDDNCNL-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@H]1CCC(C)(C)C1	2302896239	PQLHICAUGMEEKD-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCC2(C)C)CC1	2303584690	RLZDKHGYHIJIBB-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
Cc1sccc1OCc1ccc(C(C)C)cc1	2307204455	ZWSHGEOSORGWMK-UHFFFAOYSA-N	246.375	4.759	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc([C@H]2CCCCC2(C)C)n1	2307685225	YACVRVZNVCMPJU-IJLUTSLNSA-N	249.423	4.950	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(O)CCC12CCCCC2	2307831631	MHKZOFBXHORGLN-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309164450	UHLNZXYVKRLIEQ-CFVMTHIKSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2CCC[C@@H]3C[C@H]23)C1	2309965382	ZEXKSHBUKQJRSM-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
CCC(C)=CC[C@]1(CNC(C)C)CCCC12CC2	2316493690	ZHHLFKYUYGWOGK-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC=CCC[C@H](CNC(C)(C)C)c1ccccc1	2316533167	WNMFPSVRNXBIQG-MRXNPFEDSA-N	245.410	4.515	0	10	BJAE	
CCCn1nccc1CC=C(C)CCCC(C)C	2316573286	LFCPUPUVLKEJPS-UHFFFAOYSA-N	248.414	4.608	0	10	BJAE	
c1ccc2c([C@@H]3[C@H]4CCCCC[C@H]43)ccnc2c1	2317362209	RZPHSJGHDRUNQQ-HALDLXJZSA-N	237.346	4.529	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)CCC[C@@H]1C[C@@H]1C)C2	2318931178	PVDUNTCRVBWCTG-QIBWPRNXSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(N[C@@H]2CCCC[C@@H]3C[C@@H]32)ccc1C	2319251602	FXSAWBSUDIKDAM-HYVNUMGLSA-N	243.394	4.548	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCNC3(CCCC3)C2)C1	2319321401	VHZLPWMINTXQDT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCN(C[C@H]2CCC(C)=C(C)C2)C1	2320389106	XFWQRTFYHUGGOP-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CCCC(C)=C2C)CC1	2320414021	PYTPNVJUGOSBOX-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCCC[C@H](C)C(=O)Cc1cccc(C(C)C)c1	2320636882	QVQZMZGPRNELPF-AWEZNQCLSA-N	246.394	4.748	0	10	BJAE	
CCC[C@@H](CC)C[C@@](O)(CCC)c1ccccc1	2328212556	IKGFPKMSVFMFHS-WBVHZDCISA-N	248.410	4.891	0	10	BJAE	
Cc1c(-c2ccccc2)sc2ccccc12	32254395	BYLWUDAFLSDOJE-UHFFFAOYSA-N	224.328	4.877	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(Cl)c(F)c1	37069757	VVRBQMCXJKIGCQ-SNVBAGLBSA-N	243.753	4.860	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1cccc(F)c1C	70978217	PEEIYIJNFPLWOR-IUODEOHRSA-N	235.346	4.515	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCC[C@@H](C2CC2)C1	81624274	OBQQDONNEKDFGJ-HIFRSBDPSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@@H](CC)COc1ccc(C)cc1	82175673	OTPXTQKAEMLQQG-CQSZACIVSA-N	220.356	4.590	0	10	BJAE	
CCCCCCC(=O)CSC1CCCCC1	83501053	NQKGVXAOQVXIHE-UHFFFAOYSA-N	242.428	4.592	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC1CCCCCCC1	83863514	FBVQBSGHMVWXNK-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCCNC[C@@H](c1ccc(C(C)C)cc1)C(C)C	90339419	HROOPKSGRSXBIN-QGZVFWFLSA-N	247.426	4.549	0	10	BJAE	
CC(C)(C)CN[C@H](CC(C)(C)C)c1ccccc1	103972662	NNVUQTDFVRWNPV-OAHLLOKOSA-N	247.426	4.800	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1CC(CC)CC	126379606	NBSCHEAORVSAAI-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CN	132239509	VVPWEZDEAWWSKZ-KFWWJZLASA-N	239.447	4.604	0	10	BJAE	
Cc1c(Cl)c(Cl)c(F)c(Cl)c1Cl	144660898	URCQHENGJIEVLS-UHFFFAOYSA-N	247.911	4.748	0	10	BJAE	
c1ccc2c(c1)sc1ccc3ccoc3c12	146294461	HRIMWQKZHHKMSH-UHFFFAOYSA-N	224.284	4.801	0	10	BJAE	
CCCc1cccc(C(=O)[C@H]2CC[C@@H](CC)C2)c1	165549791	OXSXVMISPCTYOJ-CJNGLKHVSA-N	244.378	4.648	0	10	BJAE	
Cc1ccc(Sc2ccccc2Cl)cc1	201200213	NPPXFHVIGMWBNA-UHFFFAOYSA-N	234.751	4.800	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cccc(Cl)c1C	220551194	JARRGQLUKXSOHR-YGRLFVJLSA-N	240.774	4.508	0	10	BJAE	
CC(C)(C)CCC(=O)[C@H]1CCCCC1(C)C	226784038	FQZZQNIHKWZNRD-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
Cc1cccc([C@H](O)[C@H]2CCCCC2(C)C)c1C	226915566	DYPXMKWESONQLR-CVEARBPZSA-N	246.394	4.553	0	10	BJAE	
CCCCC[C@H](C)[C@@H]1CNc2c(C)cccc21	232977678	HTIKXUIXHQXGCD-WFASDCNBSA-N	231.383	4.721	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCCC[C@H]1C	250838591	WNFXJARVGVXYAS-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H](C)CNC(C)(C)C)C1	251692704	ILYGKVOEZMFOMW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccc(Cl)cc2)C[C@H]1C	251793620	LRKMPRDHNPLBDM-JTNHKYCSSA-N	237.774	4.577	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCCC[C@@H]1C	251910847	XRZPWCVLIOWLRH-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@H](C)CC)NCC	253040710	KQQNZFYMLTWQCV-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@H]2CCC[C@H]2C)cc1	300280832	XZUMIXSCDSRFLJ-ZENOOKHLSA-N	244.378	4.819	0	10	BJAE	
CNC[C@H](CCCC(C)(C)C)c1ccccc1C	302304084	NMKBWMAUWPQBIM-HNNXBMFYSA-N	247.426	4.514	0	10	BJAE	
CSc1c(Cl)ccc2cc(C)sc12	306742547	WANABWKKNSWZOF-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](NC)c1ccccc1C	308047596	IKLNNEIFODJGEC-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CCC[C@H](CC(C)C)c1nc2ccc(C)cc2[nH]1	308056328	PLMWHJQKEZZXAF-CYBMUJFWSA-N	244.382	4.801	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)CC1CCCCC1	309993007	JVWLHHKJVKYZRY-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H]1CCCC[C@@H](CCC2CCCCC2)C1	310060102	CKOMYFHGAVXALA-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCC2(C)CCCC2)C1	310120764	DNRPPDMXJHQQCW-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@H](CC2(C)CCC2)Nc2ccccc21	310260998	QMOTZRYTOKRLIF-QWHCGFSZSA-N	229.367	4.555	0	10	BJAE	
CC[C@H](CNC(C)C)C[C@@H](C)C1CCCCC1	310455547	CTKSZWIGKYHQPK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCOc1cccc2c1ccn2[C@@H](C)CCC	310605612	AKLYGFWCAPRKLI-ZDUSSCGKSA-N	245.366	4.791	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)c2ccccc2C(C)C)C1	311049961	HYTJXLPCAAYODC-ZIAGYGMSSA-N	244.378	4.819	0	10	BJAE	
CCC[C@H](Nc1ccsc1)C1CCCC1	313417455	COYBLEQQGXMBHL-ZDUSSCGKSA-N	223.385	4.519	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(CNC(C)C)CCCCC1	319534594	FJLNFBJMMUNPFA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCNCCC(C)(C)CC/C=C\c1ccccc1	324130919	KCEZCBNHAIJEIK-WQLSENKSSA-N	245.410	4.506	0	10	BJAE	
CCCC(CCC)[C@H](CC1(C)CCCC1)NC	379973196	HIWCHRKITLSLSV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](Nc1ccccc1SCC)C1CC1	383870582	PROYTPQWOYWIQW-CYBMUJFWSA-N	249.423	4.789	0	10	BJAE	
CCC1(C(=O)CCC2=CCCCC2)CCCC1	385673661	HVLGQFUCQHPGHF-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)c1cc2ccccc2o1	386807134	NKKPETDEQKPHQT-CQSZACIVSA-N	245.366	4.505	0	10	BJAE	
CCC[C@H]1CCC[C@H](NC2CC(C)(C)C2)CC1	395168171	FDVXLDFQOFAGLN-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@H](C)CC	395407428	ZPCPIVKDQICNMB-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CSc1ccc2scc(C(F)F)c2c1C	396404406	JTGBZSVMGRCVBO-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)[C@H]1CC1(C)C	397809244	HUXSJMFICOTAIX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC(C2CC2)C2CC2)C1	400855131	YRGWYGDHWXGNIF-SWLSCSKDSA-N	248.410	4.598	0	10	BJAE	
Clc1ccc(-c2ccc3c(c2)C=CC3)cc1	675054218	QHMDAYPBILUNGG-UHFFFAOYSA-N	226.706	4.576	0	10	BJAE	
Cc1cccc2nc(C3CCCCC3)sc12	687771319	QUKMHJWRHGUXHH-UHFFFAOYSA-N	231.364	4.652	0	10	BJAE	
CCC[C@](C)(CCCC(F)F)CNC(C)(C)C	688745109	DKKUSPPJXSXOIK-CQSZACIVSA-N	249.389	4.616	0	10	BJAE	
CCc1cc(C)cc(CC)c1NCCCC(C)C	690206619	FNKLYKZGCHMQJR-UHFFFAOYSA-N	247.426	4.968	0	10	BJAE	
CC(C)NCC1(C[C@@H]2CCC[C@H](C)C2)CC=CC1	690486130	SEDFZYDZVRULQN-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)CCC1CCCCC1	691185023	KHEHGTZYEJKJLF-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCC1(CC)CCC1	691189583	UNFDMXSZBYJJGA-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCC1CC2(CCC2)C1	691879660	FDDSLNHZQOPZLB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)C2CCC3(CC2)CC3)C1	695627278	UYXSGSFYLYVMPS-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)[C@@H](CCC(C)(C)CC)NCC	696648333	XWPQIVQILQZAIU-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1CCC(C)(C)CC1	696676368	CGCIWLWDZGFJSE-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(C)n1[C@H]1CCCC(C)(C)CC1	697603543	JSHPWLYNUVWGLE-AWEZNQCLSA-N	219.372	4.636	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CC1	698038885	YPVQKPHSBCFIFB-KYVLXBHFSA-N	248.410	4.598	0	10	BJAE	
C[C@@](N)(C[C@H]1CC2CCC1CC2)C1CCCCC1	704879256	FNACHWLDAFRZGS-OCUYMYNFSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@H](C)CC(C)(C)C	709139705	JGCLCLJVUXHEIP-MELADBBJSA-N	227.436	4.602	0	10	BJAE	
CCCC1(N[C@H](C)[C@]23CCCC[C@@H]2C3)CCCC1	709164852	LIPJWZATEVPYHF-BFYDXBDKSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@H](C)CC2CCC2)c1	710196967	QLOXZRNFCJJXRH-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](N)C[C@H](C)C(C)(C)C	711111370	TZJJJOWGFKVYOC-NUEKZKHPSA-N	247.426	4.580	0	10	BJAE	
CC1(CN[C@@H]2C[C@@H]3CCCC[C@H]32)CCCCCC1	712517115	DQLJPZGQHZNVKN-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(N)CCC(C)(C)C	713176289	UOKCGHJHIPKJAX-OAHLLOKOSA-N	227.436	4.602	0	10	BJAE	
C=C/C=C\CC[C@]1(CNC(C)C)CCCC[C@@H]1C	713724905	KVJNKAPYQHXAIZ-QVOWHETESA-N	249.442	4.703	0	10	BJAE	
C/C=C/[C@H](C)Cc1cc(Cl)cc(Cl)c1	714558130	CDDAGCVBKMRPBI-NWALNABHSA-N	229.150	4.748	0	10	BJAE	
O=C(CC[C@@H]1C[C@H]1C1CC1)CC1CCCCCC1	714899593	YKNNUAYDMHWBTM-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CC2CCC1CC2	719265548	IVABMGMSMDPAIC-FJBKBRRZSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C(C)(CC)CC	721683163	FVQVPLMDZSXXSO-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC1(C)CC(C[C@@H](O)CCC2CCCCC2)C1	723579397	CHVSMFZUVCBOCC-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
C1CCC(SCC23CCC(CC2)C3)CC1	1643506758	KKHFZLRICVHGKI-UHFFFAOYSA-N	224.413	4.633	0	10	BJAE	
Cc1ccc(SC[C@@H]2CCC[C@@H](C)C2)s1	1644009388	GNKYNEVYQQSCBZ-ZYHUDNBSSA-N	240.437	4.975	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNCC1CCC=CCC1	1658949660	NJIMEGLSOVZNRQ-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CCCP(=O)(CCC)CCCC(C)C	1889470426	RPBYZWCIRYASOO-UHFFFAOYSA-N	218.321	4.606	0	10	BJAE	
CCCC1(C[C@@](C)(N)CCCC(C)C)CC1	1900595468	YYVTZFQNJTYLJC-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1ccc(Cl)cc1	1905435810	UQPFHPIZQACNLQ-RISCZKNCSA-N	239.790	4.556	0	10	BJAE	
CC(C)c1ccccc1-c1cccc(Cl)n1	1911596507	HIOFQCJKAFRAEC-UHFFFAOYSA-N	231.726	4.525	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)CCC=Cc1ccccc1	1911959090	DYYAYTJRESXGHN-WBVHZDCISA-N	246.394	4.523	0	10	BJAE	
CN[C@@H]1CCCCCCCC[C@H]1CCC(C)C	1913392828	OBEPDDTYOUHYHU-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCC=CCNc1ccc(C2CCC2)cc1	1914676636	TUDBYETXRPNYNV-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)CCc1ccccc1	1919917830	OQPYAYMGRAAWFX-KRWDZBQOSA-N	246.394	4.507	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@]1(CN)CCCC12CCC2	1921656109	CVMMRRQDROWWLF-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CCCNC[C@](C)(C[C@@H](C)CC)C1CCCC1	1924091932	JZIQEMDSRZRSSB-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C(=O)C[C@@H](C)c1ccccc1)C1CCCC1	1924101945	WCRHWWCLWCRQPR-KGLIPLIRSA-N	244.378	4.576	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@H](C)C1CCCC1	1924128068	YHYUUNVTMWUICC-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H](C)C1CCCC1	1924139755	SIRMIPJEXRNGGD-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
C1=C[C@H](C[C@H]2CCOC3(CCCC3)C2)CCCC1	1925842417	ASIFALWEAWYWQF-JKSUJKDBSA-N	248.410	4.862	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)[C@@H](C)CCC(C)C	1937163128	KTESICNZISUFBE-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CCC(C)(C)C1CC1	1941266514	GNFUIMCPEIWEMR-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)[C@@H](C)CCC(C)C)CC1	1942652689	JQJWFIJERSQHHZ-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)C[C@H](C)CC(C)(C)C1	1942659517	RSTCYJLJMJNEQU-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCC[C@H]1C)C(C)(C)C	1944843238	QEBZRAMQIUKUHQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944846827	SHRGKGIICWKFLT-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CC(=CC(C)(C)C1CCCC1)CNC(C)(C)C	1946185511	ONDCHFKYOHWOGE-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	1947859315	PKDITUGTRBHWAQ-FOLVSLTJSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC(C)(C)C(C)(F)F)NCC	1948429037	JZKYMWVMLMUDPA-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC=C[C@H](C)Cc1cc(CC)ccc1OCC	1951308119	ABNPEOKGGKCGHO-AWEZNQCLSA-N	246.394	4.793	0	10	BJAE	
CCCC[C@@H](CC)NCc1ccc(C2CC2)cc1	1963229096	PUBVDMVGZSZHIF-QGZVFWFLSA-N	245.410	4.622	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC[C@H]1CC(C)C	1968528372	QFUYNDQSNFNHBF-RDJZCZTQSA-N	245.410	4.876	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)c2ccc(C)cc2)C1	1968548212	QZUPTJTZADHKFB-CQSZACIVSA-N	245.410	4.614	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@H](C)CCC(C)(C)C	1970302353	HRYISYDNGLQQSS-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CC(C)CC[C@@H](C)NC1(C2CC2)CCCCC1	1973782021	IMLJPKIVHZDVGQ-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(CF)cc1	1982838922	JNCOTUHSCGPTTK-CYBMUJFWSA-N	223.335	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](N)C[C@H](CC)C(C)(C)C	1984650015	STCNGONGLRDZCF-DWOOFBTHSA-N	225.420	4.523	0	10	BJAE	
CCC[C@@](O)(CC)CCC(C(C)C)C(C)C	1988261072	AMUMKIPHZUBFGT-HNNXBMFYSA-N	228.420	4.636	0	10	BJAE	
CCCCC[C@H](CC)[C@@H](NCCC)C(C)C	1990094469	WDYIXCRCVVFJSP-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)Nc1ccccc1C1CCC1	1992088170	VTJAXEGTJWQVEU-UHFFFAOYSA-N	217.356	4.555	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1)C12CCC(CC1)C2	1995988627	PKTAZXUPKKMJDS-BZUNDVKYSA-N	249.785	4.721	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@H]1CC[C@@H](C)C1)C(C)C	1996232052	ZKLNBKDFBANSLQ-ILXRZTDVSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@H]1C=CCCC1	1998379596	GKSCRBSFYCIGIX-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC)C1CCC2(CCCCC2)CC1	2000275767	UHQPYWWZYPZRJI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C1CC(C)(C)C1)C(CC)(CC)CC	2000370442	CREVMDDDAILUPS-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@@H]1CC12CCCCC2	2001225393	OUZQKNPPQAOJPM-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CN)CCCC(C)(C)C1	2002973338	FSFNXEVYOSREJU-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@H]1CC[C@H](C)CC1	2003066566	DVRVIHMVJQKSLM-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@@H]1CCC2(CC2)C1	2003199323	UPPHLAQHCQPREM-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCCC(=O)c1ccc(C)cc1	2003640700	AOFMHTSDCRRYHI-UHFFFAOYSA-N	232.367	4.784	0	10	BJAE	
CC1CC(CC(=O)C2(C)CCCCCCC2)C1	2004937514	PXHBRLSRAVSFRA-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@]1(CNCC)CCCCC12CCC2	2005567023	ZBNBVUZXGIAKDP-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CC(C)(C)CCC[C@]1(CN)CCCCC12CC2	2005602871	VEYGSSFEZVBWGV-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1CC[C@H](CC2CCC(C)(C)CC2)CC1=O	2006943004	CPWDBEPIAPMKJG-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@H](NCC)c1cccc2ccsc12	2007860351	LNJYMNACBQJVDK-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
C/C=C/CCC[C@]1(O)CCC[C@@H](C(C)C)CC1	2009589290	ANUWXEQVIFHGBM-SGFLJFKBSA-N	238.415	4.700	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)C2CCCC2)C1	2009715292	CGEFPUSVGGOOGH-HLIUYOAVSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@@H](N)C1=CC[C@@H](CC)CC1	2010737763	KPAQZGUYYBWYLW-CZUORRHYSA-N	237.431	4.667	0	10	BJAE	
CCN[C@H]1C[C@@H](C(C)(CC)CC)CC(C)(C)C1	2012052934	BKLUDJVPKGLPBY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CCCCCCCCC1	2013184539	LNOQAMWVOHHDLE-CVEARBPZSA-N	237.431	4.611	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C1C[C@H](C)C[C@@H](C)C1	2013305414	BUDILRAUCYVZET-KFWWJZLASA-N	239.447	4.568	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)[C@H]1CCC1(C)C	2014936795	GULDLAPQTHBEMX-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CC(C(C)C)C(C)C	2015282498	WAKBAZGDXOFAJO-GDBMZVCRSA-N	242.447	4.738	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C1(CC(C)C)CC1	2015752916	LEHXCFIEQZWVMU-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCCCC(C)C)CC[C@H]1C[C@@H]1C	2017242401	LLOVYTZYNFRDOB-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC)NCC1CC(C)(CC)C1	2018134558	PSOBRPDQFWCXAQ-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)NCC[C@]12CCC[C@@H]1C2	2018138990	NBLGUCKFBUOPBV-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCC1(CC2(N)CC(C)(C)CC(C)(C)C2)CC1	2018982186	JQQWFHOJFMVAOS-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)N(C)[C@@H]1CCC2(CCCCC2)C1	2019305918	PKBXREYJTKTKIV-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)CCCC(C)(C)C	2019326572	WQJRRARFDWPGLO-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H]1CCCCN(CCC(C)(C)CC)C1	2019379503	IVFZPPZCDVQSLC-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H]1C[C@@H]1C(C)(C)C	2022561881	DSRAHGRRHTUEPZ-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]([C@@H](N)C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2024095566	RGRULBINGCWHMK-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@H]1CCCC(C)(C)C1	2024124678	OFNKHWLBONUWNL-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H]1CC[C@@](O)(C[C@H](C)CC(C)(C)C)C1	2025577654	FESNICWHBLQOIU-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H]1C[C@H]1CCC	2026169880	LRQQAKNQLQXRSW-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc([C@@H](O)CC2(C)CCCCC2)c(C)c1	2027312183	SPTNQMIZNYNIGD-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
C[C@@H](c1ccccc1)[C@H](O)CCCCCC1CC1	2028618606	HYAYGKGBMXPUNX-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
c1cc2c(cc1NCCCCCC1CC1)CCC2	2028630088	YGDVPJLVYSFXHN-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1CC[C@@H]2C[C@H]2CC1	2028968291	QSMCCAFCEUTMGF-ANQUJSFKSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C)(C(=O)c2ccccc2C2CC2)C1	2029106947	DZFQSUAGMSMFRD-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](N)[C@@H](C)CCC(C)C	2029823776	JHAPCZDUPLGNAN-UAGQMJEPSA-N	247.426	4.580	0	10	BJAE	
Cc1ccccc1CCC(=O)[C@H](C)CCC(C)C	2029838287	RUAGUSCOSZZNCV-OAHLLOKOSA-N	246.394	4.569	0	10	BJAE	
CC1(CN[C@@]23CCCC[C@@H]2CCC3)CCCCC1	2031806317	XADXEXYKXUHCTE-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)[C@@H]1CCC(C)(C)C1	2033401414	MOUSNRGDUZZTOL-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(F)c1NC1C[C@@H]2CCCC[C@H]2C1	2034143806	GPARDDXNFNRCAO-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
OC1(C2=CCCCCCC2)C[C@H]2CCCC[C@@H]2C1	2034148475	MGEWJCMWYZRREM-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC1CC(C2CCCC2)C1	2035402127	BKRFAXFVIKBKSP-VXLLPVPCSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@H]1CC(C)=C[C@H](C)C1	2035404271	PAMYTIXNSAIZPL-SVGFKBNWSA-N	249.442	4.537	0	10	BJAE	
CCCCC(=O)CCc1ccc(C(C)(C)C)cc1	2036504965	GTANWBTTXLPKHJ-UHFFFAOYSA-N	246.394	4.676	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	2036662716	YHZXIZDMZZKJFQ-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C2=CCCCCC2)C1	2037094981	XDIHESRQLMBANO-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H]1C[C@H]2C=C[C@H]1CC2	2037159907	VGWXLTDYJCQUIW-SMLCLMEVSA-N	249.442	4.523	0	10	BJAE	
CCCC1([C@H](N)c2ccccc2C2CC2)CCC1	2037204193	SYLAUATVPSTPHZ-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CC)c1ccccc1	2038139748	XXZYSVNXPLKDGE-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2CC3(CCC3)C2)CC1	2041383636	PCMVDGNVNFWDIB-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042349021	ZWPRIEMVGURJIR-LVQVYYBASA-N	249.442	4.536	0	10	BJAE	
CCCN[C@@H](C1CCC(C)CC1)[C@H]1C=CCCC1	2043186930	IJSKIAAHYCSJET-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC1[C@H](C)CCC[C@H]1C	2043193862	IOIWSWQSTMTFNH-RBSFLKMASA-N	249.442	4.680	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@@H]1CCC=CCCC1	2045314270	IJTMJVWJSHZVGR-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1	2045452267	ZMTVHAYHQRYVQJ-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc2ccn(C[C@@H]3CC34CCCC4)c2c1	2047061734	IBFHUFLMWCHXTK-HNNXBMFYSA-N	239.362	4.530	0	10	BJAE	
CC(C)CNCC(=C[C@@]1(C)CC=CCC1)C(C)C	2047680526	DEUXNZNQSAHCBZ-KRWDZBQOSA-N	249.442	4.561	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048446123	GVSPZBFVDLSISI-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC2(CC2)C1)[C@H]1CC1(C)C	2049858610	RQLCDWCRALOGMT-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@@H](O)c1cccc(C)c1	2050426642	PTONWYSBCYITBM-HLLBOEOZSA-N	246.394	4.635	0	10	BJAE	
Cc1cccc([C@H](O)CCCCCCC2CC2)c1	2050429664	ZBQSPNVNIALZES-QGZVFWFLSA-N	246.394	4.779	0	10	BJAE	
CCN[C@H](C[C@H](C)[C@H](C)CC)c1ccccc1C	2050456080	MVOAVRRBRRUIPP-UKPHBRMFSA-N	247.426	4.718	0	10	BJAE	
CNCC1(CC2(C)CCCC2)CCC2(CC2)CC1	2056553127	OVBSKVNVAZLTFB-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1CCC(C(=O)CC2CC(C3CCC3)C2)CC1	2056669754	NWIAXPBOZUUXDK-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@H]1CC12CCCCC2	2059184211	QTJIITMMSZULTN-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@]1(C[C@H]2CC3CCC2CC3)CCCN1	2059464830	SXFLQCBNTHMMHI-BHUNQDJPSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(Cl)cc(SC)c1C(F)F	2060054839	GSOWMSNWXKZNEP-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C1=CC[C@@H](C)CC1	2060927374	XLJUVZCGFRHTJJ-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)C2(C)CCC(C)CC2)CC1	2061087486	GGKOODDQXQBGOQ-OGOZQZCJSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H](C)C1CCCCC1	2061563228	MSTQRVCQBLXSHT-RDJZCZTQSA-N	249.442	4.692	0	10	BJAE	
CC(C)CC[C@](N)(CC[C@@]12CCC[C@H]1C2)C1CC1	2061617452	PILSSXKDUVDTLZ-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC12CCC(CC1)CC2	2065256675	CXTUYFOSYPZOBR-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC12CCC(CC1)C2)C1(CC)CCC1	2065311838	BSZRMVLMWNPJJI-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
N[C@H](C[C@@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCCCC1	2068781175	QTWYZUSNUXAVBI-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(NC[C@H]2CC[C@H](CC)CC2)cc1	2072794744	XMABYCDTPDLKPY-KOMQPUFPSA-N	245.410	4.877	0	10	BJAE	
CCc1cccc2cc(C(=O)C(C)(C)CC)oc12	2072904294	GSMZZLGHDWNFPS-UHFFFAOYSA-N	244.334	4.614	0	10	BJAE	
CCCC1(C[C@@H](NC)C2CC3(CCCC3)C2)CC1	2074643463	FQTZQWBTAZBYBI-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)CN1CC=CCC12CCCC2	2074906695	SIRSCRSFSZHXRM-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC(C)CC[C@H](C)N1CCCC[C@H]1c1ccco1	2075233572	OECFBNIWHFQWMB-GJZGRUSLSA-N	249.398	4.631	0	10	BJAE	
CC(C)=C(F)CN[C@@H](CC(C)C)c1ccccc1	2076365007	ZUJGYXZLMPOMKL-INIZCTEOSA-N	249.373	4.627	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](NCC)C1=CCCCCCC1	2079445681	ZAUQBCFVNKCGPD-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)C1CCCCC1	2079530222	NRBZWHYPXHKJEX-IAOVAPTHSA-N	249.442	4.514	0	10	BJAE	
CCC1(NC[C@@H]2C[C@H]2C2CCCCCC2)CCC1	2079651242	PAASOJZBXIGXBO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C=C[C@H]1C[C@@H]1C1CCCCCC1)CN	2079705262	GGYDZHRULIOYCF-HYVNUMGLSA-N	249.442	4.524	0	10	BJAE	
CC(C)=CCC[C@@H](N)[C@@H]1C[C@@H]1C1CCCCCC1	2079786011	LQMRMHZYGSNOQW-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	2079862833	IGHIRTYZKCQKAR-UTSKFRMZSA-N	249.442	4.501	0	10	BJAE	
CCCCN(Cc1cccc(C)c1C)[C@H](C)CC	2082948067	BJKJKPQLRHABGP-OAHLLOKOSA-N	247.426	4.704	0	10	BJAE	
CNC[C@@]1(C[C@H]2CCCC(C)(C)C2)CC=CCC1	2082981393	CSWFWEVUQVLRTB-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCC1CC(CCN[C@@H](CC)c2ccccc2)C1	2084916891	RSFMUOHLCZDJEJ-DQPZFDDXSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](NCCCCCCC1CC1)C1CCC1	2213575373	FNPKFEJVNWUAGE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(=O)CCCCCCC1CC1)C1CC1	2213578597	NWIPNNRXIBKGDZ-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@](O)(CCCCCCC1CC1)C1CC1	2213578884	AZBGQUDOZWYGBP-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(CC/C=C/c2ccccc2)cc1	2213824039	AVLQYQSWFXCCAT-WEVVVXLNSA-N	222.331	4.641	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](CC(C)C)C(F)F	2213854939	DSQAPUCSEFRRFD-OLZOCXBDSA-N	249.389	4.615	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H](C)c2cccs2)CC1	2215824527	UGZUDWGFCUTVFT-ZFWWWQNUSA-N	249.423	4.535	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)CCC1CC1	2216877982	SCFGYCJBMCJVPI-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CCCCCCCC1CC1)[C@@]1(C)CCN1	2216880463	VPXRDXIWJMDVSI-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC1CCCC1)C(C)C	2217142720	XQBBBOKHJPCXFN-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@@]2(C)C[C@@H]12	2217278247	ZZKPQFCSWDSOIR-CFVMTHIKSA-N	249.785	4.503	0	10	BJAE	
N[C@@H]1CCCCC[C@H]1C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218367654	SEBADABXJFICRF-BQJWPVKWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(=O)CCCCC1CC1)c1ccccc1	2220021159	ADGUCAVYRSDMRN-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
C[C@H](NCC1(C)CC2(CCC2)C1)C1(C)CCCC1	2220948630	KGPBEKNRMHWSLZ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)CC1(C)CC2(CCC2)C1	2221070780	GHNVPMOXVRUYGT-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H]1CCC[C@@H]1C(C)C	2221937658	XEYBPVFLEKPNCG-HUUCEWRRSA-N	244.378	4.558	0	10	BJAE	
C[C@H](NCCCCCCCC1CC1)c1ccco1	2223113640	ABMFTTHIGLIKCT-AWEZNQCLSA-N	249.398	4.681	0	10	BJAE	
CCC[C@@H](C(=O)c1csc(C)c1C)C(C)C	2242643697	KHOZWJLEQIMZOR-GFCCVEGCSA-N	238.396	4.620	0	10	BJAE	
CCCCC[C@@](O)(CC)c1csc(C)c1C	2242645310	UDLQMMOYEDGMJA-AWEZNQCLSA-N	240.412	4.543	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@H](CC)CCC	2244797507	QLSWQLOQXQUOSO-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNC1(C)CCCCCC1	2247112705	BINFDIPMTFSLNZ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CCCC[C@@H]2C[C@H]2C)CC1	2247123176	WPWNFHPPTJCOHO-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCN(C)CCCC[C@@H]1C[C@@H]1C	2247156948	BALMANMHAIIJJO-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)c2csc(C3CC3)c2)C1	2248070599	UJUXLYHTTBTLTK-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
CCCC[C@H](C)C(=O)CCCCC[C@H]1C[C@@H]1C	2248806352	KHMSAEXOEVEDNK-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CCCCC[C@H]1C[C@@H]1C	2248844157	WGUHCXYORONIRD-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)[C@H](CCCCC(F)F)NCC	2250353280	SXVXZVQJBIJUNJ-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CN[C@H](CCC[C@H](C)CCCC(C)C)C1CC1	2250528771	NWVHRKKKYMCXMK-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C(=O)CC[C@H]1CCCCC12CC2)C1CC1	2253838779	KRXAJLYQORSPNY-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC1=CCCC[C@]1(O)CC[C@@H]1CCCCC12CC2	2253888416	GBMTZORNMRTZIY-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2=C[C@H](N)CC(C)(C)C2)C1	2253923196	PZTTYXHZSHKXKD-YCPHGPKFSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2C[C@H]3CCC[C@H]32)C1	2253936746	FTUZAGSQJJSKLJ-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNC2CCC2)CCC12CCC2	2254852194	BKYFXAORDKKTIC-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(CN)CCCC12CC2	2257280507	GEXUJJPUMFGTKO-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cc(C)c(C)c(C)c2)C1	2258239049	PLEAIGSHAVJAEH-JKSUJKDBSA-N	245.410	4.993	0	10	BJAE	
CC1CC(CC[C@@H](N)C[C@@H]2CC23CCCCC3)C1	2261490208	JJMCFQBOLVMMTE-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](C)NC(CC1CC1)CC1CC1	2298858903	SAOZHACBRXTQRU-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCN(CCC(C)C)[C@@H](C)CC1CC1	2298878582	MFGFPZICSDDLTI-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@@H](C)CC1CCC1	2298918449	WWDCGKNCXPXUES-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@H](C)CC1CCC1	2298925408	DOLRUAGZUBTLMT-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCC[C@H]1C(C)C	2300689916	CRGRBCZMTCAKHK-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CC(=CCN[C@@H](C)C1(C)CC1)CCCC(C)C	2300867689	PBZBZVBSFSIDEK-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(CC2CCCCCC2)C1	2301143755	XAQQPXQAMUIVKY-MIFYACCESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC1CCCCCC1	2301148079	QGPTXWXDHZDNJP-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CCCCCCn1c(C)cc2cc(F)ccc21	2301629781	XILXWUPRGBCRCZ-UHFFFAOYSA-N	233.330	4.669	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H](O)CC1CCCCCC1	2301963620	CWGSZHDOOXCYDI-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@H]1CC(C)(C)[C@@H]1C)C(C)C	2302168725	HSHMPQDBBIGEJQ-RDBSUJKOSA-N	238.415	4.556	0	10	BJAE	
C[C@H]1CCC[C@@H](CCCC2(N)CCCCC2)C1	2302566594	UVMPWUZESMXUOM-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CC(C)C(C[C@H](N)CCCCC1CC1)C(C)C	2302575548	XQEZBKQTRKLSQL-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@@](C)(CC)C[C@@H]1CCC(C)(C)C1	2302710797	UAAAUIJFCLVVOJ-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C[C@@H](O)CC[C@@H]1C[C@H]1CC)C(C)(C)C	2303568107	OEJJQRLEAUCJMM-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](CN)CCC[C@@H]1CCC(C)(C)C1	2304410998	JQEIIKAXYOBEPN-HUUCEWRRSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(CC2CCC2)CC1	2307763810	QBZBIYBDUQWVFK-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)CC(N)(C1CCC1)C1CCC1	2307824062	QYXSVGFHCRCEAJ-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)CC1(C(=O)O)CCCCCC1	2307904859	UYJCEFPEQATCDX-CYBMUJFWSA-N	240.387	4.628	0	10	BJAE	
CCCNC[C@@]1(C[C@@H]2CCC[C@H]2C)CC=CCC1	2308260012	NIUIDRZYALXITJ-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@@H]1C)[C@H]1C=CCCC1	2310435952	XGBJITNVKOYVDO-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CCC[C@@H]3C[C@@H]32)CC1	2311022069	HCOKKUNRERNHPX-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)C[C@@H]1C[C@H]1C1CCCC1	2311608538	NIIULXCYCBUKHX-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)NC1C2(CCC2)C12CCC2	2313573097	YPKYQIHIOWWDMB-CQSZACIVSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@@H]1C[C@H]2C[C@H]2C1	2316504286	UGSIETLHKWFRNW-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CC(C)=C[C@@H](C)C1	2316504847	YBQDHNBJFNXJNN-HYVNUMGLSA-N	249.442	4.703	0	10	BJAE	
CCN[C@@H](CCC=C(C)CC)c1ccccc1F	2316536178	KYQFIVFIJZOFNK-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2316883963	FDGGTASDLSLSMT-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCCCCC1)[C@H](N)c1ccccc1	2317009197	WIFOPQVIHOXVLS-YOEHRIQHSA-N	245.410	4.683	0	10	BJAE	
COc1cccc(N[C@H](C)CCC=C(C)C)c1C	2318395785	LYHKSYQFBPWKOE-CYBMUJFWSA-N	247.382	4.550	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1C[C@H]2CC[C@@H]1C2	2318508351	ZWXBCMMQRKXYST-ARFHVFGLSA-N	246.394	4.662	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CCCC2(CC2)C1	2318558654	XOTIPQPYQVUKED-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
COc1ccccc1CCCCC1=CCCCC1	2318568009	HWIARCQRKMIYEO-UHFFFAOYSA-N	244.378	4.908	0	10	BJAE	
CCCN[C@H](CCCC1=CCCCC1)[C@@H]1C[C@H]1C	2318575112	BNHQHIOAYVBVLJ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCCC1=CCCCC1)[C@@H]1C[C@H]1C	2318575114	BNHQHIOAYVBVLJ-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
C[C@@]12CCCC[C@H]1CN2CCCC1=CCCCC1	2318591689	AYLLHPBJDFPLTM-DLBZAZTESA-N	247.426	4.532	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@H]1CC2CCC1CC2	2318935718	IYEXXUSLZCFOTA-NVDSNGLKSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@](C)(N)C2CC3(CCC3)C2)C1	2319034883	QPYFJORIHBHILI-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CCC(C)(C)C2)c1C	2319119006	PJFRHSZKDUIKGC-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)[C@@H]2CCCC3(CC3)C2)C1	2319120822	HUOZFHWZIMFMSY-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCCC[C@@H]3C[C@@H]32)CC1	2319333757	GMXXTTWHRLRIRR-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CCC[C@H](C(C)C)C2)CC1	2320236979	FLDXBHXAWOAMRD-YESZJQIVSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(N)CCC2(CCC2)C1	2320243078	IHNURHLVYWOKFI-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1C[C@H](C)C[C@H](C[C@@H]2CCC(C)=C(C)C2)C1	2320387486	HLPRFGLMQKFZJW-BASLNEPJSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H](C2CC2)C(C)(C)C)CC1	2320414237	REFYVMOVZHPRCY-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CC[C@@H](C)[C@H]2C(C)C)CC1	2320424658	SJIOWLVAPQBPBZ-MWQQHZPXSA-N	249.442	4.536	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@@H]2CC[C@@H](C)C2)c1	2320520962	MBJQKBVTURCVDS-CKEIUWERSA-N	245.410	4.636	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@H]2CCC2(C)C)c1	2320524372	XWTIUNSQTOTHQU-HZPDHXFCSA-N	245.410	4.636	0	10	BJAE	
CC(C)c1cccc(NC2C[C@@H]3CC[C@H]3C2)c1F	2327804237	NEGHJGRUJSKKIS-RYUDHWBXSA-N	247.357	4.550	0	10	BJAE	
CCCCCCN[C@H](C)c1c(C)cc(C)cc1C	21502135	ONPXYLHNIRAARM-MRXNPFEDSA-N	247.426	4.843	0	10	BJAE	
CCC[C@H](NC)c1ccc(C(C)C)cc1C(C)C	35493931	VCAUJASHPHEVDA-KRWDZBQOSA-N	247.426	4.994	0	10	BJAE	
C[C@H]1C[C@H]1C(=O)c1ccc(C2CCCCC2)cc1	37358552	YVCNOPWNIINGDB-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CCCCCOc1ccc([C@@H](C)CC)cc1C=O	66153136	QXICIAMVIIDLTP-ZDUSSCGKSA-N	248.366	4.582	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H](C)C(C)C)cc1	70122566	VAGHPOKYVSGLGW-CYBMUJFWSA-N	232.367	4.504	0	10	BJAE	
CCCN[C@H](c1cc(C)ccc1C)[C@H](C)C(C)C	70123570	QIKWEUHGFVVKIP-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CC[C@H]1CCC[C@](N)([C@@H]2CCCC[C@@H]2CC)C1	71111635	HVGWZQRAURCQOI-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)c2cc(C)oc2C)C1	71121005	FRAZFIREXUNUQW-NWANDNLSSA-N	249.398	4.516	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1CCC(C)(C)CC1	79624917	NVJSKRRTVJRUCJ-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCCC(C)(C)C1	79971174	UTZJEYJDVVSJEQ-CYBMUJFWSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](CC)CCC[C@@H](NCC)C1CC1	80419937	MCGOAAXJKMBKAJ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](Nc1ccc2sccc2c1)C1CC1	83055169	LGARICFBVWKXSD-CYBMUJFWSA-N	231.364	4.502	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCC[C@H](C)CC1	83427383	WSNHXFFBHFDDHD-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2cc(C)ccc2F)C1	87984537	MLYZPBLKZNFFKV-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1CCCC1(C)C	94304872	LYCOZMSNGGGKHR-HNNXBMFYSA-N	245.410	4.975	0	10	BJAE	
Cc1ccc(C(C)C)cc1CCCCC(C)(C)N	98128377	AJTVNZJPCLWKFC-UHFFFAOYSA-N	247.426	4.569	0	10	BJAE	
CCCCCOc1ccc(NCC(C)(C)C)cc1	107792993	BRICTNLOVSIECI-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1cccc2ccccc12	109742164	PIGNYZWEVABIEL-CXAGYDPISA-N	241.378	4.666	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@@H](CC2CCCC2)C1	110517814	AFURCWAOJIGXEJ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H]1CCCC[C@@H]1CC	111746826	JHBNTESBHLVVCH-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCNC1CC(C)(C)CC(C)(C)C1	124774037	VYLBQEDYYZLJHL-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1cccc(CCC)c1	131501168	FQGBETPGLYAACT-DOTOQJQBSA-N	247.426	4.855	0	10	BJAE	
CCc1ccc(-c2nc(C(C)(C)C)cs2)cc1	131903386	YFWUYUYSZQYTEU-UHFFFAOYSA-N	245.391	4.670	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)c1occc1C	133356934	UPPXRLGXAMTOKR-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCCCCC[C@@H](NC)c1sc(C)cc1C	133728703	XXZLVMGMYHHKQS-CYBMUJFWSA-N	239.428	4.596	0	10	BJAE	
Clc1ccc(-c2cc3ccccc3cn2)cc1	139139921	GEZBAGGYZSZPGP-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H](C)C1)C1CCCCCC1	149781958	AQIRXCMTEGZJAG-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
C[C@H](F)C1(c2ccc(Cl)cc2)CCCCC1	220783292	QRUHWYJIMPEPFV-NSHDSACASA-N	240.749	4.900	0	10	BJAE	
C[C@H]1[C@@H]2CCCC(C)(C)[C@H]2CCC1(C)C	223560652	GXKYYOMGGFWFAS-AVGNSLFASA-N	208.389	4.885	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C1CCCCCC1	229148171	CLSFQCRVKGFDMT-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@@H](N)c1ccccc1C(C)(C)C	229183134	LMRSFKFILOVRGA-MRXNPFEDSA-N	247.426	4.810	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@H](C)CC2CCC2)c1	229686065	XIZXSWKZTGYZJY-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
CC[C@]1(C)Nc2cccc(Cl)c2[C@H](C)[C@@H]1C	257987053	BDQCOPRYVPDYIJ-BFVZDQMLSA-N	237.774	4.674	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)c1ccccc1C	300142545	UGZGVCPMAZFEKE-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@H](C)C1	300368599	RXANVQZZZMNKJN-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)CC(CC)CC	300931784	VCEQXEBYQYIBCN-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)c1ccccc1C	305941793	RKWMYCVDSIGQNK-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)C[C@H](C)CC(C)C	305997729	UOUCRHFGNGAHIG-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
Cc1cc(Cl)cc2c(Cl)csc12	306597399	OGXGDQHEWRECOZ-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CC[C@H](Nc1ccsc1)c1cccc(C)c1	309204890	MESVLJVTPRNCLH-AWEZNQCLSA-N	231.364	4.620	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CC2(CC)CCC2)C1	310111204	FPGMVQUWYIHRPK-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@@H]1CCCC1(C)C	310836316	LHBUIXPIBGLRSU-JKSUJKDBSA-N	245.410	4.636	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2C=CCCC2)CCCC[C@@H]1C	317893695	IKMZSOUMXKRSPU-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@]1(CNC(C)C)CCCC[C@@H]1C	318012611	DUJQNJIQSYWHOF-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@]1(CNC(C)(C)C)CCC[C@H]1C	318111429	AHZUQZBGUHBXNA-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H]([C@@H](C)[C@@H](C)CC)C1(C)CCCCC1	318924600	TXUCDQJHHLTVHY-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CC(=O)CCC2CCCC2)CC1	379994685	VJIITKWBFFZSAZ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1CCCCC1(F)F	381734239	SZAJAVHUXPDEKB-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CN[C@H](CCCCCC(C)C)c1cccc(C)c1	383138709	FBYWBBRYMFKXCQ-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](N)CCCCCC(C)C)C1	383237707	IGBPVKRJMYIJOA-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C[C@H](C)c1ccccc1)CC(C)(C)C	384884670	KMPPXMIAWGQKIS-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CCCC1([C@@H](O)c2ccc(C3CCC3)cc2)CC1	385170334	XREVGYHMSHBHKE-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H]1CCC[C@H](C)C1	385266876	ZJOYUYOPSKFMDV-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCNCC1(CCC2CCC2)CCCCC1	398779512	OIGCHAKEFKPTED-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCCC[C@@H]1CC1=CCCC1	400610529	GBPUSWRMXMFGMN-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)NC[C@H]1CCCC[C@H]1CC1=CCCC1	400610546	GBPUSWRMXMFGMN-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CCCCNCC(C)C	401615918	NMBORPWRYICXIX-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@H]1CC=CCC1)NC	402342834	OUFLFYBSSPKGND-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@@H]1C[C@@H]1CC=CCC1	402362533	PSPGWYLVJFIJEY-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC(C)(CC[C@H]1CCNc2ccccc21)C1CC1	405987736	LBNCCFCQWPJDEM-ZDUSSCGKSA-N	243.394	4.802	0	10	BJAE	
CC[C@H](C)C(=O)CC1(c2ccccc2)CCCC1	686735978	ATXOPOSQOLSXMA-AWEZNQCLSA-N	244.378	4.504	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CC[C@@H](C)SC1	689397918	HHEDTMKDBVYONM-OLZOCXBDSA-N	249.423	4.506	0	10	BJAE	
CCC[C@H](C)Nc1c(CC)cc(C)cc1CC	690188166	QXLJXVBSXFYTJI-ZDUSSCGKSA-N	233.399	4.720	0	10	BJAE	
O=C1CCCCC[C@@H]1c1ccc2sccc2c1	691833178	GMZKBMFRLPOFKC-CYBMUJFWSA-N	244.359	4.518	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@@H]1CC[C@@H](CC)C1	692061834	RVHKCTYIKDPUPV-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@H](C)C1CCC1	692677138	IXDLLUMHFSCXTM-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CSc1ccc(N[C@H]2CCC23CCCC3)cc1	694406721	ZPHLHCHTCUNFMZ-AWEZNQCLSA-N	247.407	4.543	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](C)C1CCCCC1	695061137	MRBCHVYHKVPFTK-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(CC[C@@H](N)[C@@H]1CCCC2(CC2)C1)C1CC1	695958896	RMHLGFPFQGRARJ-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CCNC2CCC3(CC2)CC3)C1	695972832	FTNQKOQYZRRHBR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)C(C)(C)C1CCC1	696561358	OSUGDICLKWZSPH-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCC(C)(C)CC1	697580127	RPCDWERSDUGZFB-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CCC=C(C)C)NC	697810601	OWHIDGZXRYWEAT-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CC[C@@H](C)c1ccc(NCCC(F)(F)F)cc1	698527479	FKGNQOXXBBXLNB-SNVBAGLBSA-N	245.288	4.564	0	10	BJAE	
CCCc1ccccc1O[C@@H]1C=CCCCCC1	699494212	UNEUSNOXFLFULC-MRXNPFEDSA-N	244.378	4.907	0	10	BJAE	
CC(C)CC(N)(CCCC(C)(C)C)CC(C)C	704908529	OLFISPNBRZZDIF-UHFFFAOYSA-N	241.463	4.993	0	10	BJAE	
C[C@H]1CCCC[C@H]1n1ccc2ccc(F)cc21	704960017	SQXBIDAAPNAFNS-SMDDNHRTSA-N	231.314	4.532	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)[C@]12CCCC[C@@H]1C2	708874017	CKEMHXOFVHGICY-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
C[C@H](CC1=C[C@@H](N)CC(C)(C)C1)CC(C)(C)C	709184892	HORXLJDSBLNWFQ-TZMCWYRMSA-N	237.431	4.523	0	10	BJAE	
CN[C@H](CCC[C@@H](C)CC(C)(C)C)C(C)(C)C	709189522	PIHNTMRNRYKCOT-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(O)CC(C)(C)C[C@H]1C	709260811	PPXYVAFBQJROMI-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
CCc1cc(C)cc(CC)c1NCC(C)(C)C	709659768	SFHUSYUFRSWAES-UHFFFAOYSA-N	233.399	4.578	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CCCC2(C)C)c1	709714444	YGXIKLFWRVUGMU-INIZCTEOSA-N	245.410	4.802	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)CC2CCC2)CC1	710273994	CJWXGYXAQXNFJC-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)Nc2csc(C)c2)c1	710709614	GHKFTTRKGBBHCB-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1C[C@H]2CC[C@H](C2)C1	710924340	KOMXZJZKOGBVDM-IMRBUKKESA-N	249.785	4.639	0	10	BJAE	
CC[C@@H](C[C@H](O)C1=CCCCCC1)C(C)(C)C	711212611	VKVBATCJKLAVRK-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2C[C@@H]3CCCC[C@@H]32)CC1	712368799	FCJWZIZGDKFKDG-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCCN[C@@H]2C[C@H]3CCCC[C@@H]32)CC1	712392539	YGGRHQQGOSGQHS-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1N[C@H]1CC(C)(C)CC[C@H]1C	713057000	GATZXZOCHIYNEZ-CJNGLKHVSA-N	245.410	4.876	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)CC(C)(C)C(C)C	713210489	FBAJRKSWRFGANL-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@H](C)CC(C)(C)CC	713268548	LTBRAUGGMRZKFM-GDBMZVCRSA-N	247.426	4.800	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1cc2ccccc2o1	718747165	JHBXRWJBRXMUOZ-CQSZACIVSA-N	244.334	4.603	0	10	BJAE	
CC(C)CNC[C@@]1(C2CCC2)CCC=CCCC1	718978958	MDZZMKIXWLNXDP-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](CC1CCCCC1)Nc1ccc(O)cc1	720990575	TWBDBEBUSMORHO-CQSZACIVSA-N	247.382	4.553	0	10	BJAE	
CC[C@@H](C)c1csc(C(C)(CC)CC)n1	721691052	JNQCXEMPEOQYTL-SNVBAGLBSA-N	225.401	4.734	0	10	BJAE	
CCCCC[C@@H](C)NC[C@H]1CCC=CCCC1	1561043336	VPZLBLJXQUXKEP-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1CCN(CCCC(C)(C)C)c2ccccc21	1642166977	CVAJDDIQUSGGAB-AWEZNQCLSA-N	245.410	4.827	0	10	BJAE	
CC[C@H](C)N(Cc1ccccc1)[C@H](C)CC(C)C	1880408947	FUNQCCRFQDHRDE-JKSUJKDBSA-N	247.426	4.722	0	10	BJAE	
Cc1c(Cl)cc2c(Cl)ccnc2c1Cl	1888915494	CWGJPUCXOTYXQV-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CC[C@H](O)CCCC=C(C)CCCC(C)C	1900828218	YHOJIQYVMIWNQL-HNNXBMFYSA-N	226.404	4.700	0	10	BJAE	
Cc1sccc1-c1ccc(CC(C)C)cc1	1901895345	BCIMJBYVZIJPML-UHFFFAOYSA-N	230.376	4.922	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1ccccc1Cl	1905435937	VXSNYLBRXNNOJX-RISCZKNCSA-N	239.790	4.556	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@@H](C)C(C)(C)CC	1905445140	JBAFWMMOBBQYEN-UONOGXRCSA-N	227.436	4.569	0	10	BJAE	
CC(C)=CCc1cc(C(C)(C)C)cc(C)c1O	1906987451	QVZDLUIPCFHWCK-UHFFFAOYSA-N	232.367	4.507	0	10	BJAE	
Cc1c(Cl)cccc1NCC[C@@]12CCC[C@@H]1C2	1908417234	KCJGWPUPIUKDNN-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
C=CC=CCCCc1ccc(F)c(Cl)c1	1911780918	AFYOOPCTGAZPQG-UHFFFAOYSA-N	224.706	4.544	0	10	BJAE	
CC(C)(C)CC[C@H]1CCCCCCCC[C@@H]1N	1913402087	CIMIZWMARJSLET-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CC(C)(CCN[C@@H]1CCC2(CCCC2)C1)C1CC1	1916430614	MOLYVTVPUAHWLN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@](O)(CC)c1csc2ccccc12	1919491755	JVMPHKXMDXLBED-OAHLLOKOSA-N	248.391	4.689	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H](C)CCC	1919965497	YBOFHRALOOKOSY-KBPBESRZSA-N	214.393	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)CC(C)(C)C(C)C	1919975910	PTCDIXBYMNXHFT-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CCCC1CC(C(=O)CC2CCC(C)CC2)C1	1921279086	ZLMVTZORRVZZPP-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2CCCC23CCC3)C1	1921601810	JUOJSMKVAPTFGJ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1CCCC[C@H]1C	1925893651	VENSXDCWOYSOJR-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC[C@@H]1C=CCC1)COCc1ccccc1	1932592948	NQSXKBQMMILTTJ-JKSUJKDBSA-N	244.378	4.586	0	10	BJAE	
CCC[C@@H](C(=O)CCC(C)(C)CC)C(C)C	1936213172	XEEFUIJQOFAGTQ-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CCCCCC1CC1	1936403269	KRSQESHGMLQKRM-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC(C)CNCCC=CCC1(C)CCCCC1	1940410147	QTUZJTMKYDIPMN-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1CC1(C)C)CC(C)C	1940872652	NYEPZZDLIAXFIP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCSc1cccc(NCCCC2(C)CC2)c1	1940874650	VAQBNORJNPCUHY-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CC(C)(C(=O)CCC[C@H]1CC1(C)C)C1CCC1	1940877724	SCYIXGCRETVMAQ-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCSC[C@@H](C)Nc1cccc(C2CCC2)c1	1941160403	DBONOOHLKMSISG-GFCCVEGCSA-N	249.423	4.508	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)[C@H](CC)C(C)C	1941265162	SPPRPJLUMKAWNW-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](CC)CNCCCCCC1CC1	1941582695	ZBGFHGAVSXYDAG-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)CC1CCC=CCC1	1941792256	CHYBLANRAFUWHO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CCC)NCC1CCC=CCC1	1941818339	PFRRCFBKVOLMND-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944197264	ANHNUUXTPHAYHO-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H]1CC12CCCC2	1948073454	ZNDFFWINYQROQZ-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H]3CCCC[C@]3(C)C2)cs1	1948597218	WSLCFMUPNUNQBW-UMVBOHGHSA-N	249.423	4.827	0	10	BJAE	
CCC(CC)C[C@@]1(CO)CCCC(C)(C)CC1	1950910467	GSUDIERCUZBEDQ-MRXNPFEDSA-N	240.431	4.782	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCC[C@H](C)CC1	1950924676	NAMMBMXEZCPXTH-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CNC[C@]1(CCCC(C)C)CCC[C@H](C)CC1	1950928716	AKNYRLHPOLYNIE-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1ccc(Cl)cc1Cl	1959212415	YFTYLHJRZCTSDP-LDYMZIIASA-N	244.165	4.594	0	10	BJAE	
FC1(F)CCC[C@H](C[C@H]2C=CCCC2)C1	1959889004	JWEQRCTZUZTKHY-NWDGAFQWSA-N	214.299	4.558	0	10	BJAE	
CC(C)CCC[C@H](C)NC[C@H]1CCC(C)(C)C1	1967715708	IWMYAELGYRPUSM-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC[C@@]1(C)C=CCCC1	1967836797	JJHNSFLUYDTROB-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1cccc(COc2ccc(F)cc2)c1	1968271031	QIEMHXNTVZZBGG-UHFFFAOYSA-N	244.309	4.528	0	10	BJAE	
CCc1ccccc1NC1CC(C)(C)C(C)(C)C1	1968359900	INAJQVSTDDAORX-UHFFFAOYSA-N	245.410	4.876	0	10	BJAE	
CC1(C)C[C@@H]1CN[C@@H]1CCCC2(CCCCC2)C1	1969588487	CRPZTZAXHCUNCR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C1CCC2(CC1)CCC[C@H](NCCC1CCC1)C2	1969804137	CGTORDCEMQRGMR-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCCC3(CCC3)C2)C1	1969843493	BQGILORQBFPNOP-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
c1cc(N[C@H]2CCC3(CCC3)C2)cc(C2CC2)c1	1972458417	BDXISMMUEQQDLK-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
CC[C@]1(C)C[C@@H]1N[C@@H]1CCCC2(CCCCC2)C1	1973342034	MTYSKPBPXWOKRJ-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1cc(C(F)F)cs1	1988302313	ZQYLXWYGQLVJRU-QMMMGPOBSA-N	246.322	4.551	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@@H](CC)C(C)C	1988768711	VJGLFMZFXSTONO-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC[C@@](O)(C1=CCCCCC1)C1CCCCC1	1996550238	YDSNWWNDSPGCBC-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)[C@@H](O)[C@@H]1CCC2(CCCC2)C1	1996612458	YIFCLVXRPXMIEV-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@]1(C)CCCC1(C)C	1997339923	BYUXQOWTNLWSNT-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)C1(C(C)C)CCC1	2000371972	KABYLTQWTGBPDF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@H]1[C@H]2CCCCC[C@H]21	2002761525	BZKUXIRVTGADSP-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@@H](C)C(C)(C)C)CC1	2002928649	ZGOIDXKHEARZMT-DNDYEEKYSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)[C@H]1CCC[C@@H](C)C1	2003013668	IPEBNAKNFXLGDS-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NC1CCCCCCCC1	2003092920	MTYCLDSFVOBSSJ-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CCC(C)(CC)[C@H](O)C1(C)CCC(C)(C)CC1	2007696015	LDLMBSGGTFTSBW-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)C1(C)CCC(C)(C)CC1	2007699661	YIWNEIMDANXMBU-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CCC1CC(C[C@@](C)(O)CC2CCCCC2)C1	2007755979	DTSXOGWPMUGJKT-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)C=C1CCCCC1	2007918698	AFDJBXURJMOZHC-HZPDHXFCSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](CCC2CCCCC2)[C@H](N)CC1	2009417344	ASTLEPBKLCEJIF-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@H](O)C1=CCC(C)(C)CC1)C(C)(C)C	2010726158	NXANWADMRZCDBS-OCCSQVGLSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](CC1=CC[C@H](CC)CC1)CC(C)C	2010768809	LPHMAWVYDUOHPB-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(NCC[C@]23CCC[C@@H]2C3)c(Cl)c1	2010994719	IRGYUIHVCAEYBP-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CC[C@](N)(CCC[C@H]1C[C@H]1C)C1CCCCC1	2011578079	ZULDDEUTSAIPPX-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](O)CCC1CC2(C1)CC(C)(C)C2	2011845667	MXMQGVSYTPFFBA-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](Nc1ccccc1Cl)c1occc1C	2012061286	LLKBSRQNMIHMNS-GFCCVEGCSA-N	249.741	4.805	0	10	BJAE	
CCNC[C@](CC)(CC1(C)CCCC1)C(C)C	2012425339	IKLFYPWHIZWPHF-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@](C)(N)CC12CCC(CC1)CC2	2012797476	PSQATSOEMMSHIL-HWOWSKLDSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CC(C)(C)C(C)C	2013307887	AGVVYVGHXRDMND-HNNXBMFYSA-N	241.463	4.815	0	10	BJAE	
CCCCC(C)(C)N[C@H]1CCC12CCCCC2	2013529448	XGPUQGDNGBQREE-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(N)C2(C)CCCC2)C1	2014337227	CLVJJZWYKGCZPK-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC1CC(O)(CCC2CCCC2)C1	2014667221	AVUKYXMUKWQSFX-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)C[C@@H](C)C(C)C)CC1	2015279128	UOLIBEWRCHMYHC-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)C)C1(CCC)CC1	2015290693	MJXZPQJEMJRSPK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H](C)C(C)C)CCCC1	2015384753	XTNKDQXWNWDNAQ-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)C1(C)CCC2(CC2)CC1	2015389120	SPTOOZLNJLFDKV-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1(C(C)(C)C)CCC1	2017098605	VJFQUPLCPWUITO-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)CC(F)=C(C)C)CC1	2017470293	ZFFTZBLPWPSELX-ZIAGYGMSSA-N	241.394	4.541	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC1CCC(CC)CC1	2017730205	FGJQYWJEGFYKQT-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CCCCC[C@H]1C	2019406187	DIAWAZDIWJBHMK-OWCLPIDISA-N	239.447	4.712	0	10	BJAE	
CCCCCc1ccc(C(=O)C[C@@H](C)CC)o1	2021520624	RHRJSZCTFAYDCC-LBPRGKRZSA-N	236.355	4.631	0	10	BJAE	
CCCCc1ccc(NCC=C2CCC2)cc1	2023251837	GUOBRGKGWHZWIS-UHFFFAOYSA-N	229.367	4.551	0	10	BJAE	
CCCC1(CC(=O)CCCC(C)(F)F)CCC1	2023300487	WNNQOFBPJLKKOE-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCN[C@H]1CCC(C)(C)C[C@H]1CC(C)(C)CC	2024122845	JYYVRZMCESDWKA-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@@H]1CC(C)(C)C1(C)C	2025066798	GPVFKXWGNUGFNE-ZIAGYGMSSA-N	239.447	4.568	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H](C)c1ccccc1F	2027023476	HIGCIJQZDNOSGE-AWEZNQCLSA-N	249.373	4.565	0	10	BJAE	
Cc1ccc(C)c(C(=O)CC2(C)CCCCC2)c1	2027295302	FPODYAHJUYXCJU-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CC(=C[C@@H](C)C1CCCCC1)c1cccc(N)c1	2027956832	NCNMJJFNFZXXPY-CYBMUJFWSA-N	243.394	4.889	0	10	BJAE	
Cc1ccc(C(=O)[C@H](CC(C)C)C(C)C)cc1C	2028257393	JBOCJVCKMDRMIG-MRXNPFEDSA-N	246.394	4.804	0	10	BJAE	
CC(C)C(C(C)C)[C@H](O)c1ccccc1C1CC1	2028553949	FMORUUBPJAVUNT-QGZVFWFLSA-N	246.394	4.526	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@@H]1C[C@H]1CC	2028868953	BEKUXBKFYNXNST-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC[C@@H]1CC1(C)C)CC1CCC=CCC1	2028871355	ZPQXXASZSPTOTJ-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](c2ccc(C3CCCC3)cc2)N1	2031750364	RLRMHKXLWVVDDE-CXAGYDPISA-N	243.394	4.547	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)c1ccc(C2CCC2)cc1	2032344746	UYDIZQAMOFPYLW-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2[C@H]3CCC[C@H]32)CC1	2032822382	JTGYXPVJGFRTHX-LJEMCRLJSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)[C@H]2C(C)C)c(F)c1	2035407637	HMTSOFDUMRGECI-DAXOMENPSA-N	249.373	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@H](CC2CC3(CC3)C2)C1	2036730484	QURKOLCLFJJOLA-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)CC1CC2(CC2)C1	2036757366	WTFUFLXPYJVAAM-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)[C@@H]1CCC2(CCCC2)C1	2036770615	GDEOYGHGGKHZOW-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc([C@@H](N)C2(C)CCCCCC2)c(C)c1	2037072726	COJNVNXCFKIZBY-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
CCC[C@@](N)(C1=CCCCCCC1)[C@H]1CC1(C)C	2037074953	DCDAFIKYBCADHS-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C=CCCCC2)CCCCCC1	2037268378	DTMBKDXYRXGOIR-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CC[C@@H](C2(N)CC3(CCC(C)(C)CC3)C2)C1	2038893413	NVDSUWIDAAKJTK-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCCNC1CC2(CCC(C)(C)CC2)C1	2038934396	KJMVZGIQJLHUJB-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@H](C)C1(N)CC2(CC3(CCC3)C2)C1	2039463572	IBISOZKEUZDZAC-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCC[C@H]21)C1(C)CCCCC1	2039860664	XNWYACVPTDVFOF-ZJIFWQFVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](CC2(N)CCC3(CCCC3)CC2)C1	2040166528	PVEZRSSJLLLCDB-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)CCC2CC2)c1	2040322668	QNJPEJPZPWCKTM-CYBMUJFWSA-N	245.410	4.802	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)[C@@]1(C)CC=CCC1	2042015945	FLDDDGABFIUDSB-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@]1(CN)C[C@H]1CCC=CCCC1	2045320948	QYCIAXIFSGBQCB-DOTOQJQBSA-N	249.442	4.668	0	10	BJAE	
CCN[C@@H]1CC[C@@](C)(C[C@@H]2CCC=CCCC2)C1	2045327001	RZKDKSBLOYCQLJ-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@H]1CCC[C@@H](C)C1	2045681470	ZIEOGQWMKRNSBY-VWNJHIHFSA-N	248.410	4.764	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@H]1CC12CCCCC2	2047061078	CCGDHKGJPQUIDD-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1(C)CC1)[C@@]12CCCC[C@H]1CCC2	2048876817	JRYQNRSPMYJVOA-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)C[C@H]2CCC=CCCC2)CC1	2049680612	HAWHYXRSEJEPGQ-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CCC1(C)CCC(Nc2cccc(F)c2C)CC1	2051588442	GXPQVBJCHXYXAB-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(CN)CCCCC12CCC2	2053420667	LVHZSDWBMHSTEO-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CCCC1([C@H](N)CC2CC(C3CCC3)C2)CCC1	2056638463	XSUGPAFWLLMXTR-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CC[C@H](C[C@@H]2C=CCCCC2)[C@H]1CC	2058731637	QDMJZMPUCDUMHZ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC=CCCCN(C)C1CC2(CCCCCC2)C1	2059203364	JLUWNLQYWDSZMO-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1ccc(C)cc1C	2059257611	ZFXXDCMLNXXDII-UABRLCRWSA-N	245.410	4.700	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(N)CCCCC[C@H]2C)CC1	2061113101	LQVYFEPCGLEKFF-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)CCC2CCCCC2)CC1	2061151693	UPYRXSNLXGHLAV-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)CC[C@@]12CCC[C@H]1C2	2061603184	RQOGIGVOZYBUAA-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)CC[C@]12CCC[C@H]1C2	2061624161	WXYFLEDWUHTTKX-BHYGNILZSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC2(CC(C[C@@H]3CCCCCC3=O)C2)C1	2063209502	UXXAGRKSWDNNLM-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)CC12CCC(CC1)CC2	2065336212	YPHPBBPDJOUYLY-ODZFXCKXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(NC[C@H]2C=CCCCC2)C1	2067988172	GLMDPSCEOZFNDF-FHERZECASA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@H](C)CC1=CCCCC1)[C@@H]1CCC1(C)C	2068289774	WLJYWEVRKOUWQY-YCPHGPKFSA-N	249.442	4.680	0	10	BJAE	
Cc1cccc([C@@H](N)CCC2(C(C)C)CCC2)c1	2071941516	USPSXNGRJDCIOA-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CC2(C(C)C)CCC2)c1	2071954539	WKVPILVOXROSMM-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1C[C@@H]2CCC[C@@H]2C1	2072422819	FFZQLQPLFAKVKJ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@@H](N)CC[C@H]2CC[C@H](C)CC2)c1	2072800138	ATLAJSIYEGCNTF-QRTARXTBSA-N	245.410	4.601	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@]12CCCC[C@@H]1C2	2074052776	XRNPWWJSBPVDAA-RHSMWYFYSA-N	242.362	4.538	0	10	BJAE	
CC(C)c1ccc(CN(C)C2(C)CCCC2)cc1	2075005693	ZFPKCBPOTKGENV-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CC1CC(CNC(C)(C)C)([C@@H]2C=CCCCC2)C1	2075372398	GLHBGXHUEYKPFU-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(N(C)[C@H]2C=CCCCC2)CC1	2075411336	UHCJFOIQUVTPEB-GTPINHCMSA-N	249.442	4.776	0	10	BJAE	
CCC1(CC(=O)[C@H]2C[C@@H]2C2CCCCC2)CCC1	2079492634	RWFWBBAKLGUCFV-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CNc1cccc2ccccc12	2079620779	RDWAPFRLBHUJJF-HOCLYGCPSA-N	239.362	4.544	0	10	BJAE	
CCNCC(=C[C@H]1C[C@@H]1C1CCCCCC1)CC	2079665638	MKSWSWWNTIGLKI-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
Fc1cccc(N[C@@H]2CCC[C@H]3CCCC[C@H]32)c1	2081142533	YPOVAESCCYUUJO-DAXOMENPSA-N	247.357	4.597	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@@H]1CC12CCCCC2	2081781733	VCROTXKBFFVGAA-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C2CC(=C3CC3)C2)C1	2082984547	BUFPEVDAUGQFCJ-LBPRGKRZSA-N	246.394	4.662	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)Cc1ccccc1C	2086044576	OVYVDNVGQBLHIH-RHSMWYFYSA-N	248.410	4.505	0	10	BJAE	
CCCCC[C@@]1(O)CCC[C@@H](C(C)(C)C)C1	2212101816	XPQWNRAMBLIXMQ-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
Cc1csc(C(=O)[C@H]2CCCC23CCC3)c1C	2213643710	YUYCHBXLRDVYBQ-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
C/C=C/CCCc1cccc(C(F)(F)F)c1C	2214852667	UKGFIUMWKHNJRL-ONEGZZNKSA-N	242.284	4.913	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC(C)C)CC=C(C)CC1	2217154068	QLHOMQZZBTZWJW-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)C[C@@H](C)CC(C)C	2217157324	RWWQYPNVDUHGMI-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC[C@@](C)(CNC1CCC1)C[C@H](C)CC(C)C	2217159889	SRIPHHWTKUIVQE-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)CC2CC3(CCC3)C2)C1	2221027380	GAAUEWBBGLVERH-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2[C@H]3CCCCC[C@H]23)C1	2221075676	IVEJSAOTOYUONX-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC2(C)CC3(CCC3)C2)C1	2221090750	PAJJEVXMWMZMGV-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C)(Cn2ccc3cccc(F)c32)C1	2221091462	XGQZDFDDDXVWSU-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1c(C)cccc1C	2222003428	AEMFWUHHKGYMSH-CJNGLKHVSA-N	248.410	4.943	0	10	BJAE	
CCC/C=C/CNC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222949873	SOGRAMHMVYFZNG-CMHBCTHXSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@]1(CNC2CCC2)C=CCCC1	2223541994	NJOQYYMNWSCWAO-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@@H](C)c1ccc(C)cc1	2223963269	GIYVLGPQJJSAAF-GOEBONIOSA-N	247.426	4.513	0	10	BJAE	
Cc1ccc([C@@H](C)[C@@H](N)CCCC(C)(C)C)cc1	2223963567	JXAGQXPMIZIHMS-ZBFHGGJFSA-N	247.426	4.642	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CC1(C)CC(C)C1	2246457103	NCSZPYOEMWQNSU-PYBGIAKNSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CCCC[C@@H]2C[C@@H]2C)C1	2247120095	MAAVERGMUUULIY-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC)CCCCC[C@H]1C[C@H]1C	2247162723	CSORIMKMURWZHT-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CCCC(C)(C)C1	2247175243	ISOCPQBQJOUNMZ-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCCN(CC)CC[C@@H](C)CCCC(C)C	2250476860	QUKXAJYMAOSEFL-INIZCTEOSA-N	241.463	4.961	0	10	BJAE	
CC[C@@](N)(CC[C@@H](C)CCCC(C)C)C1CC1	2250477432	XNJPSBQPFMYTCY-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@@]1(C)C[C@H]1C	2250480914	JFCHGJUNAAARGQ-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](NCC[C@H](C)CCCC(C)C)C1CC1	2250492786	IXOYWLQENYUISP-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)C[C@@]12CCCC[C@@H]1CC2)C(C)(C)C	2251210765	GWBFYVZSFZRZRY-IOASZLSFSA-N	236.399	4.598	0	10	BJAE	
CCCc1nc(-c2cccc(C)c2)sc1CC	2252748253	KPQQVAJKVHRSNL-UHFFFAOYSA-N	245.391	4.633	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)C[C@H]1CCCCC12CC2	2253807554	CXGUNFLIPJXLDT-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CCC1)C[C@@H]1CCCCC12CC2	2253824510	TXLUWGOLMFMXIL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc2c1N[C@@H](CC1(C)CCCC1)CC2	2253868774	VZQUNQZUFATJCE-OAHLLOKOSA-N	243.394	4.692	0	10	BJAE	
CCCC1(NCC[C@@H]2CCCCC23CC3)CCC1	2253889061	JIGPVZFIGBXCMP-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC1CC2(CCCC2)C1	2254073626	VVVPPWCGABDBDX-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)NCC1(C[C@H]2CCC23CCC3)CCCC1	2254832271	XPMMLJYTSXQNIE-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NC[C@@H]1CCC12CCC2	2254974831	ISUSUJKNRSYZSY-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1CC[C@@H]1CCCC12CC2	2255268195	RIEDGLSUUOXJCH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1NCC1(C)CCCCC1	2256144712	QBJDLFBQYJYLEZ-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
CC1(C)CCC[C@H](C[C@](C)(N)[C@@H]2CC23CCC3)C1	2256458167	MRZIDQGEVIXJDH-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)CC2CCC1CC2	2257362783	UUMPXCDUVJTWJX-OHYMQKJLSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1CNC[C@@H](CC)CCC	2259470318	JUGNFGUACJINJM-HNNXBMFYSA-N	247.426	4.555	0	10	BJAE	
CC1CC(CCC(=O)C[C@@H]2CCCC3(CC3)C2)C1	2261508041	ZJNKQACNGFBILN-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)CCC1(O)CCC(C2CC2)CC1	2300675801	IICWRRMQZXQVKG-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)CC1CCC1	2300684044	PVNDZMOQEJJTOO-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCNC[C@H]1CCCC[C@@H]1CCC(CC)CC	2300701885	URRVQZOPXVXWML-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC(=CCc1cnccc1C)CCCC(C)C	2300864575	CDVMZFSDRXUXMN-UHFFFAOYSA-N	231.383	4.705	0	10	BJAE	
CC(=CC[C@@H]1C[C@H](C)CC1=O)CCCC(C)C	2300893835	XNJUNZUTAOPXCG-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
CC[C@H]1CC[C@]1(O)CC=C(C)CCCC(C)C	2300908173	AHHRREJJQKBYIN-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)CCCCC1CC1	2302569339	JOUPLGNYVBJXFK-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCC(C)C)C[C@@H]1CCC(C)(C)C1	2302712353	FIWBDUHGKFEFAZ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CC[C@@H]1C(C)(C)C	2303474496	YOWOZLDRQGWQQA-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](CC1CC1)C1CC1	2303666975	AMXKIRHGDAACOK-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@]2(C)C=CCC2)C1	2304422572	JJQYDBPLQNKIOP-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CCC(C)=CCNc1cccc(C(C)C)c1F	2307561067	LWQYYNUKEXUVTH-UHFFFAOYSA-N	235.346	4.717	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)C(C(C)C)C(C)C	2307836173	WTALBZPUPQGEGY-GDBMZVCRSA-N	242.447	4.882	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CC)c1ccccc1	2307847495	XFLXMFMNXZRYKB-GOEBONIOSA-N	234.383	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CC(C)(C)CC[C@@H]1C	2307894352	RFESZCDNTDOIQQ-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1CC2(CCCC2)C1	2307899738	CWAQLPAHJUVKRJ-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CC1CCCCC1)NC	2307903198	OBBIZLJJCNQNPL-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](C)[C@H](O)c1ccccc1	2307906750	IELKMAKERRUKGG-DZKIICNBSA-N	234.383	4.573	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@]12CCCC[C@H]1CC2	2307927428	ZJMUIEGRZMAGFL-DZKIICNBSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2308581066	DLNIIBRQVTUGAX-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC1CCC1)C[C@@]12CCCC[C@@H]1CC2	2313345948	KVMRTMCYIOLGKK-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCC1)[C@@]1(N)CC(C)(C)CC2(CC2)C1	2313658764	CLVCEFSCLQKLBD-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CC1)C(=O)c1ccccc1C(C)(C)C	2313705155	QWTFZMYUFFQZRB-GFCCVEGCSA-N	244.378	4.603	0	10	BJAE	
CCC(C)=CCN(C)C1CC(C2CCCCC2)C1	2316514189	BHZPYMKINQIXEI-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CC(=CC=C1CCCNC1(C)C)CCCC(C)C	2316536208	KZVMJZVNOFWNOB-UHFFFAOYSA-N	249.442	4.847	0	10	BJAE	
CC(C)CCC[C@H](N)c1ccc(F)cc1C1CC1	2317070387	JBLICYXFYRZPIJ-INIZCTEOSA-N	249.373	4.529	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H](C)[C@H](C)C(C)C	2317827947	OSRVBJMMZOSNKE-KGLIPLIRSA-N	246.394	4.921	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@H]1CCC2(CC2)C1	2318550416	GRQBEVDQTTYIGH-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CN(CCCC1=CCCCC1)CCCC1(C)CC1	2318573506	SJBVAVPKSLQOOK-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCC(C)(C)C1)c1ccccc1	2319129144	OFAMGEZJWFXQNC-UONOGXRCSA-N	244.378	4.576	0	10	BJAE	
C1CCCC(CCN[C@@H]2CCCC[C@@H]3C[C@H]32)CC1	2319253416	VBXXKAVYFSTACS-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)[C@]1(CNC2CC2)CCC(C)=C(C)C1	2320268483	QDNOZFCYCHITRL-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(=C[C@@H]1CC[C@@H]1C(C)(C)C)[C@H]1CC[C@H](N)CC1	2320311494	MRSWEAMWFGNSRA-VGWMRTNUSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@H]2CCC(C)(C)C2)CC1	2320334386	OQJFSGCLABKDDH-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)CC2=CCCCC2)CC1	2320402394	RONHHFVELUGZFZ-SJORKVTESA-N	247.426	4.731	0	10	BJAE	
CC1(C)CC[C@@H](CCNC[C@@]2(C)C=CCCC2)C1	2321540417	AKSKQWVXIUNZFR-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)c1ccc(CC)cc1	2328276444	WBMVWSOMWWWINB-NVXWUHKLSA-N	247.426	4.726	0	10	BJAE	
CNCC[C@H](c1ccc(C(C)C)cc1)C(C)(C)C	11630207	SRLCLOXVJQBBQM-MRXNPFEDSA-N	247.426	4.549	0	10	BJAE	
CC(C)=CCC[C@H](C)c1ccc(O)c(C)c1	15119999	AHRNUZBHBAHMHY-LBPRGKRZSA-N	218.340	4.551	0	10	BJAE	biogenic
CC(C)c1cccc(N[C@H]2CCC[C@@H](C)C2)c1	21790175	ROYSLPQSEITQJL-HIFRSBDPSA-N	231.383	4.801	0	10	BJAE	
CN[C@H](CCC(C)C)c1ccc(C(C)C)cc1	36819972	SPZFYYRBWXKWJY-MRXNPFEDSA-N	233.399	4.507	0	10	BJAE	
CCCCCCOc1ccc2ccc(O)cc2c1	37324462	ZEOMTBNJODVFEY-UHFFFAOYSA-N	244.334	4.505	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1ccc(C)cc1C	68860322	FMZSHBGYLHMNPB-DOTOQJQBSA-N	248.410	4.943	0	10	BJAE	
C[C@H]1C[C@@H]1[C@H](Cl)c1ccc(Cl)cc1Cl	71103358	BPXSSDRWVPQBPC-DQBIJJQNSA-N	249.568	4.929	0	10	BJAE	
CCCCOc1ccc(NC[C@@H](C)CCC)cc1	83381682	MVPRZHFRDDZAOU-AWEZNQCLSA-N	249.398	4.714	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1C	85084979	DQGDYMJXPJHRRV-IVMMDQJWSA-N	231.383	4.540	0	10	BJAE	
CCC[C@H]1CCC[C@H](Nc2ccsc2)CC1	85529057	XUUIJMLNJKMYSY-STQMWFEESA-N	237.412	4.909	0	10	BJAE	
CCCN[C@@H](CC)c1cc2ccc(C)c(C)c2o1	88074347	SAPYWUPYGLVJBK-AWEZNQCLSA-N	245.366	4.500	0	10	BJAE	
CCCN[C@H](C=C(C)C)c1ccc(C(C)C)cc1	92116457	NHOITOZWKIILNL-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CCCCCC[C@H](C)Nc1cccc(F)c1F	103990548	HNSZXLJPAYNTCX-NSHDSACASA-N	241.325	4.736	0	10	BJAE	
CC/C=C\C[C@H](CC)c1ccc(F)c(C)c1	107560552	ORXKWYOVEWIQQR-FWWRYZNZSA-N	220.331	4.984	0	10	BJAE	
Cc1cc(C(=O)CC(C)C)c(Cl)cc1Cl	107997994	HMDVISNKAXHHCP-UHFFFAOYSA-N	245.149	4.531	0	10	BJAE	
CCC[C@H](C)CC(CC)(CC)CNCC(C)C	110208859	HSPPFWBEXIIEOA-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C1=CCCCC1	110228927	WXUNZSLEPGTSSW-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Cc1cc([C@H](N)C[C@H](C)CC(C)(C)C)cs1	129389286	MMGRWQRAXZFZNB-GXFFZTMASA-N	239.428	4.519	0	10	BJAE	
CCN[C@H](CCC1CCCCCC1)C(C)(C)C	149447730	SPTSNFGFSHQGAZ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC(=O)c1cccc(CC(C)C)c1	157876286	RHFHWEICPHYUTD-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CC(C)[C@@H](NC[C@@H](C)C(C)(C)C)c1ccccc1	162739341	GDHYPBSYVLYWHK-GDBMZVCRSA-N	247.426	4.656	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cccc2ccccc12	163728043	PNGTURMDQXNBJZ-XJKSGUPXSA-N	239.362	4.830	0	10	BJAE	
CCCCC1CCC([C@@H](NC)C(C)(C)C)CC1	164681401	OGMKGOWQMZBSIX-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1cc(C)cc(C)c1	165739219	HOAXZUNHHNSJTN-GOEBONIOSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@@H](C(C)C)C(CC(C)C)CC(C)C	166056662	OREAWMXHOCGBIW-INIZCTEOSA-N	241.463	4.719	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@H]1CCCC[C@@H]1CC	166911264	YKHOAFVEWKQEBM-BPUTZDHNSA-N	239.447	4.747	0	10	BJAE	
CCCCC1CCC([C@@H](N)C2CCCC2)CC1	167468595	CQFMEMZZTLXNJN-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](N[C@@H]1CC[C@@H](C)C[C@@H]1C)c1ccccc1	226160893	KYKCOLWWHLYKFR-YALNPMBYSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2C[C@@H](C)CC[C@H]2C)c1	227003648	UEHTUPVYUCDLGJ-JGGQBBKZSA-N	231.383	4.540	0	10	BJAE	
Cc1ccc(N[C@H]2CCC23CCCCC3)cc1	230162524	KCLMJZDVKOJNLR-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCC[C@H](C(C)C)C1	230993458	WQRVQQMRBVLYTM-UONOGXRCSA-N	249.373	4.761	0	10	BJAE	
CC[C@H](N)c1ccc(SC2CCCCC2)cc1	234052672	YCBAGGMOQPSZOB-HNNXBMFYSA-N	249.423	4.521	0	10	BJAE	
Cc1cc(C(=O)C2(C)CCCCC2)cc(C)c1F	235835943	YNDKMYQWGHWVOH-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCC[C@H](C)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O	251290349	HMMJAJDKVSTQAD-LXTVHRRPSA-N	240.431	4.636	0	10	BJAE	
CCC(F)(F)c1ccc(SC(C)C)cc1	258975904	IVHSZJTTWXWKBL-UHFFFAOYSA-N	230.323	4.689	0	10	BJAE	
N#Cc1ccc2ccc(F)cc2c1C1CCCC1	260485153	GLCWOBXFKHTNAU-UHFFFAOYSA-N	239.293	4.508	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1cccc(Cl)c1	300959785	YIKMUWQEYDDEKK-ZDUSSCGKSA-N	239.790	4.556	0	10	BJAE	
C[C@H](CNc1cc(F)ccc1Cl)C(C)(C)C	304331331	UJKISVHADPIWJK-SECBINFHSA-N	243.753	4.573	0	10	BJAE	
CC(C)C[C@H](C)n1ccc2c(Cl)cccc21	304354289	CVSCBQIIBWIQTP-NSHDSACASA-N	235.758	4.902	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1ccsc1Cl	308360085	ULKHAZTVLILMDU-GXSJLCMTSA-N	246.803	4.507	0	10	BJAE	
CCc1cccc2ccn(C3CCC(C)CC3)c12	310594469	NYBGIJUIQSJWLX-UHFFFAOYSA-N	241.378	4.955	0	10	BJAE	
CCCCC[C@@]1(CNCC(C)C)CCC[C@H]1C	318028702	LTQYFMQCWRHCOF-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)NCC1(C2CC2)CCCCCCC1	318162011	SHNSAMSURHFHFI-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)CCC)CC[C@H](C)C1	319288268	NEMXAKJDRRRRQS-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)c1ccc2sccc2c1	319682494	JSTKALFVGHQION-ZIBATOQPSA-N	247.407	4.583	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H](C)[C@H](C)CC)CC1	319904139	XQXNVIWOGADCIF-DNDYEEKYSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CCCC(C)(C)C)C1	382693445	RHLOSALFZAVYRZ-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
CCN[C@@H](C)c1ccccc1C1=CC[C@@H](C)CC1	385034887	IFWKDBXBDJHBQF-KGLIPLIRSA-N	243.394	4.561	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@H]1C)c1cccc(C)c1	385112921	AWRXCHOHXZUOML-PVAVHDDUSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H](C)Oc1cccc(NC[C@H](C)C(C)C)c1	386781102	JTPDXDAPSVAZTH-UONOGXRCSA-N	249.398	4.568	0	10	BJAE	
CC1(CNc2ccc3c(c2)CCC3)CCCCC1	394546913	FJPDJNNHQAMPJD-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](O)C2(C)CCCCCC2)C1	394611378	SGQZXLCELNZXQZ-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](CC)[C@@H]1CC1(C)C	397654474	FPJFUPCARRFAFU-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC=CCC1)C1CCC(C)CC1	402150465	MFBFFUSGXXUIMO-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)C1(C)CCCC1	402185953	XUCTYNDPFFFHRA-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CC(C)(C)NCCC(C)(C)C1CC1	405959720	NQMFFVVPGYQCRU-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
Fc1ccc(-c2ccc3sccc3c2)cc1	685948272	FPCHREATWJTQIZ-UHFFFAOYSA-N	228.291	4.707	0	10	BJAE	
CC(C)CNCC1(CC2CCCCC2)CC=CC1	690526663	VDQSACFDUUVKBX-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc(NCC[C@@H](C)CC)cc1Cl	691206166	YETZZLJNBAJHEQ-NSHDSACASA-N	239.790	4.751	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C1CC2(CCC2)C1	691921929	WGJYWYBMGBLPBP-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1	695074469	OZOSQIXAOJQEIG-HZPDHXFCSA-N	244.378	4.576	0	10	BJAE	
CC(C)(CC[C@@H](N)[C@H]1CCCC2(CC2)C1)C1CC1	695958891	RMHLGFPFQGRARJ-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]1CC[C@@](C)(CCC(C)(C)CC)C1	696705569	XRLVRKUDQJNKDL-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@@H]1CC[C@@H](C)C1	696803866	SSSLWZGNWUTPRE-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@]1(C)CC[C@H](C)C1(C)C	699089530	YXJXQFNAGVWALJ-HEHGZKQESA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cccc(C(F)F)c1	701235893	WTYNXBQBAHDLSO-JTQLQIEISA-N	240.293	4.633	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1CCC12CCCC2	703733476	SSWIKAYFRLTYIF-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(Cl)c(O[C@@H]2CCCC[C@@H]2C)c1	704912976	KAIIXMRTJZNMHN-WCQYABFASA-N	238.758	4.606	0	10	BJAE	
C[C@H](C[C@]1(N)CCC12CCCC2)C1CCCCC1	705022483	BWZWPTHDMLQPDG-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCc1ccccc1[C@@H](NC)[C@H](C)CC(C)(C)C	708318273	WJQFJVXNGFYYCD-CJNGLKHVSA-N	247.426	4.582	0	10	BJAE	
CC(C)CNCC/C=C/C[C@@H](C)CC(C)(C)C	709085541	NWVCRTASIVARAC-MVGZEHJDSA-N	239.447	4.641	0	10	BJAE	
C[C@@H](C[C@@H](CO)C1CCCCCC1)C(C)(C)C	710804966	REJGBUNZESSVAG-ZFWWWQNUSA-N	240.431	4.638	0	10	BJAE	
C[C@@H](CC(=O)C(C)(C)C(C)(C)C)C(C)(C)C	711197729	IRHGWFMPISHZOX-NSHDSACASA-N	226.404	4.700	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H](C1CCCC1)C1CCC1	711830614	FFVBOFSOVMCIKS-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)CC(C)(C)C	713182849	PKQPHMJBVDZENE-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](Nc1cccc2cc[nH]c12)C1CCC1	1308709857	BVGUIUVQYZKQNJ-CQSZACIVSA-N	242.366	4.549	0	10	BJAE	
Cc1cccc(NCc2cccc(Cl)c2C)c1	1661011960	MHWSPMUMUAMSSA-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
C/C=C/CCCC[C@@H]1CCC(F)(F)C1	1885374045	QWRCMCSSWXUDKM-KXMPLOMGSA-N	202.288	4.558	0	10	BJAE	
C=C=CCCCc1cccc(Cl)c1Cl	1885702062	HTVAOIBYTPPPAQ-UHFFFAOYSA-N	227.134	4.657	0	10	BJAE	
CCCNC[C@@H](CCC)CCC(CC)CC	1900693891	SJQJUDODKRBBOW-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCC(CC)CC[C@H](N)C[C@H](C)C(C)(C)C	1900695099	FEFKEBFDNFMBFM-JSGCOSHPSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](C)Nc1cc(C2CC2)ccc1Cl	1900703858	OJBCIUGVWBQCAL-JTQLQIEISA-N	237.774	4.818	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1sccc1CC	1905433095	FOJZCTVTAJKVBL-YPMHNXCESA-N	239.428	4.527	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1scc(C)c1C	1905441846	AYXBENMGAGJNIX-OLZOCXBDSA-N	239.428	4.581	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H](CC)CCC)NC	1905455276	YXRDQUALSQXYPI-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@](C)(O)CC1CCCCC1	1908555525	KXNWVAJXZXYRSB-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC1(CNC2CC2)CC2(CCCC2)C1	1912551741	SSPSFMUTOLGIPL-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2CC3(CCCC3)C2)C1	1912646417	SBQKKVBOFBXMRJ-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CCC)NC1CC2(CCCC2)C1	1912714879	BJRPRBDICHOQCZ-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
C[C@@H]1CC[C@@H](C2(N)CC3(CCCCC3)C2)C[C@H]1C	1912729510	SWIONGXDHZJEAY-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1Cl	1917329778	QQSGXXBZIAERNF-JHJVBQTASA-N	249.785	4.503	0	10	BJAE	
CC(C)c1ccc([C@@](C)(O)C2=CCCCC2)cc1	1920044705	ZTPNTMKHVOTZJN-KRWDZBQOSA-N	244.378	4.518	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@H]2C=CCCCC2)C1	1925733638	FYSRSKZKOIDJGY-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H]1C[C@H](C)CC[C@H]1C[C@H]1C=CCCCC1	1925891805	KTHBEXGWDJYIAW-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
Clc1ccc(CCC[C@@H]2C=CCC2)cc1	1932593652	ULZYACSDDDMRRG-GFCCVEGCSA-N	220.743	4.629	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cc(Cl)sc1C	1933556155	FMTGNYUCXIXBSB-MRVPVSSYSA-N	244.787	4.719	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1cc(Cl)cs1	1933836458	XMVXZPWUSSMIRF-NSHDSACASA-N	243.803	4.538	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H](CC)C(C)C	1936194697	FHJOHKSYHLYNDI-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](O)CCCC1(C)CC1	1940870282	SBHFHWNXVRYWRC-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1(C)CC(C)(C)C1	1941981629	HPYYEWACUCEXTH-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(Cl)cc1NC1CC(C2CCC2)C1	1942145079	CEJKICYBMZOSEE-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
CCCCCC(CCCCC)NC1CC(F)C1	1944042698	PJJIMKGEMLPFCS-UHFFFAOYSA-N	243.410	4.606	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)CC(C)(C)CC	1947575627	ITKLXOMSHJEGDO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCC1(CNC(C)(C)C)CC(C)(CC)C1	1948411094	LVTKBYGUFLXMFD-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@]1(N)CCCCC1(C)C	1949051062	KXHMUJWTRXOOAE-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
Cc1cc([C@@H](N)C[C@H]2C=CCCCC2)c(C)s1	1949140557	VQYCAVOBRIZUOJ-ZFWWWQNUSA-N	249.423	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CNC2CCCCCC2)CC1	1950911329	NRKCIVDQMPWDRQ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C1=C[C@@H](C[C@H]2[C@H]3CCCCC[C@H]32)CCC1	1960867468	AOYVWHVXKOTLMM-APIJFGDWSA-N	204.357	4.559	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2C[C@@H]2C2CCCC2)CC1	1967829170	YUBKTJPKHDCHCR-JCCCHCCOSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(NC2CC(C)(C)C(C)(C)C2)c1F	1969470799	OAPMPUAVJUFPTP-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1971304993	LVGVWMLZDPKDFV-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@H]1CCCC(C)(C)C1)C12CCC(CC1)C2	1973850571	YTELBWCRFXNRBL-BOLLXYOYSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCCC(C)(C)C1	1978331163	ZDPMYWZLTIVMMQ-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](N)c1cccs1	1980691815	HCFZIIRHLLZYQL-OLZOCXBDSA-N	239.428	4.745	0	10	BJAE	
CCC[C@](C)(CNC(C)C)CC(C)=C(C)C	1989651328	FKIJOIXOZLJISY-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](C)N(C)[C@H](C)c1cccc(Cl)c1	1990820801	JIOARRPLTYGMBY-NWDGAFQWSA-N	239.790	4.521	0	10	BJAE	
C1=CC[C@@H](c2nc(-c3ccccc3)cs2)CC1	1997603908	JBJKBCLYLUWJSG-CYBMUJFWSA-N	241.359	4.634	0	10	BJAE	
CC1(CCCC(=O)C2CC(C(C)(C)C)C2)CC1	1998239297	IDASSLWMQQDXTC-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](NC1CCCCCCC1)C1CC(C)(C)C1	1998646137	QBJSMHIPAVHUSG-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CCCCCCNC1CC2(CCCCCC2)C1	2000672361	HUENRLNWEUOXTL-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
Cc1csc(C)c1C(=O)C[C@@H]1CCC12CCC2	2001851831	QAFRVXBBMAUHLJ-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2002232268	NGKMLWZIMVRITA-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H](N)CC1CCC2(CC1)CC2	2003216321	BOBFFPREBKWXTQ-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)[C@@]1(C)C=CCCC1	2003319943	DLDKYEVVTCPQSN-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(N)(CCCC2CCC2)CC1	2004342251	QSRPPOBCSMXWPQ-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC1([C@@H](O)CCC2CCC2)CCCCCCC1	2004922005	CCQDGFHAXDQJES-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC1=C(C)[C@@](N)(CC2(C)CCCCC2)CCC1	2006972948	SCZOJLIWITVFCX-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCCCC[C@@H](O)C1(C)CCC2(CC2)CC1	2007691125	LZCGBSUEIOCCCF-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)C1(C)CCC(C)(C)CC1	2007696763	NAGWUGUCSGFPQS-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC(C)([C@H](O)C2CCCCC2)CC1	2007699141	WEOXKSKIZPIXQN-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
C/C=C/C[C@]1(CNC(C)(C)C)CCCC1(C)C	2008071815	YDWFJMYJTIMYST-KXPUMZMLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@]1(C[C@H]2CCCC[C@@H]2CC)CCCN1	2009059148	NBCPSAAAMSVMAE-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1CCC(C)(C)CC[C@H]1N	2009411168	NZUODVQSEAJWAC-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CC=CCCC[C@H](O)C1(C)CCCCCCC1	2009591373	JJAJNGDJLOYHJS-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@@H](O)C1(C)CCC(C)(C)CC1	2009593542	QNFNGFMSSFXELH-CQSZACIVSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](N)CC1=CC[C@H](C(C)(C)C)CC1	2010767288	VMAWYCUTJVQSLU-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CCC[C@](C)(CCC[C@H]1C[C@H]1C)CNC(C)C	2011582881	FAISLUUWFROMII-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@@H](CC)[C@H]1C	2013262212	AKDINTDVIWTTHH-KLHDSHLOSA-N	239.447	4.616	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CC1(C)CCCCC1	2013306809	PTXZRTMURXZNNS-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1(CC2CC2)CCC1	2015743445	LYLXLSPLMMINIM-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(NC[C@@]23CCC[C@H]2C3)cc(C)c1Cl	2016322841	CUZGLKUYQOHYHD-WFASDCNBSA-N	249.785	4.559	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1(C(C)C)CCC1	2017115765	BFYBXXQOEIZLQW-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CC(C)C[C@@H](CN)CCC1(C(C)(C)C)CCC1	2017140054	CMKNRXBINWZXJU-AWEZNQCLSA-N	239.447	4.604	0	10	BJAE	
CC(C)C1(C[C@@](C)(N)CCC(C)(C)C)CCC1	2017141661	CZXRCGWWOCSHGK-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC)(CC(C)=C(C)C)C1	2017466913	QFRFVLVABWSBDX-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)C[C@H]1CC[C@H](C)CC1	2017714172	CSAUOJBZKFMNET-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(CC(=O)C[C@@H](C)C2CC2)CC1	2017773232	XSBDJYJQNOEGSZ-IYXRBSQSSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@]12CCCC[C@H]1C2	2018588072	QZJWHHUOFGXHFY-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H]1CCNC2(CCCCC2)C1	2018644691	DXBFWXDFLLKUTH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1(COc2ccc(C(C)(C)C)cc2)CC1	2018910995	RXDIUMZOUGSMDO-UHFFFAOYSA-N	232.367	4.553	0	10	BJAE	
CCCC1(CN(C)[C@@H](CC)CCC(C)C)CC1	2018953633	AJDFGVGFUYDCGC-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCC1(C[C@@H](CC(C)(C)CC)NCC)CC1	2018997497	BQDPPPPFXUOLHJ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N(CC)C1CCCCC1	2019199661	LWIKFBHPSZBXQP-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCCCCCN(C)[C@H](C)C1(C)CCCCC1	2019289340	AHSDGCLJSANGPZ-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCCN(CC1(C)CCC1)C1CCCCCC1	2020505556	DLMICQVFJDHOKG-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](CC=C2CCC2)C1	2023204506	KULYODFZPOFIEE-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CC[C@H]1CC[C@H](NCC2CCCCCCC2)C1	2025588591	VGDYHJLFAHEONH-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@H]1CCCC12CC2	2027855019	LAAPECUTWWCOQF-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(C(C)(C)C)c2oc(CC)c(O)c2c1	2028116826	CFJHCBVEIYRLKS-UHFFFAOYSA-N	246.350	4.561	0	10	BJAE	
CN[C@H](c1ccc(C)cc1)[C@@H](CC(C)C)C(C)C	2028265042	QPFFPMZEOUGDTG-DLBZAZTESA-N	247.426	4.574	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1ccccc1C1CC1	2028557763	QFSISJVCEPBJRA-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CN[C@H](CCCCCC1CC1)C12CCC(CC1)C2	2028625077	FYSXTNZGKNIZTR-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@@H](CC2CCC=CCC2)NC)CCCC1	2028872508	HEVPCLFTCBGENT-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(=C2CCC(C(C)(C)C)CC2)[C@@H](C)CN1	2031999327	HGLJLKAZSHVQMC-IKCIUXDWSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccccc1C1(C)CC1	2032242469	HWTCQRITAJWBFZ-ZFWWWQNUSA-N	243.394	4.729	0	10	BJAE	
CC(C)Cc1ccc([C@@H](O)C(C)(C)C(C)C)cc1	2032274035	WRHYAPVPCLWEHJ-MRXNPFEDSA-N	248.410	4.601	0	10	BJAE	
CCCC1(CNC2CC(C3CCCC3)C2)CCC1	2033763794	DLOZNTRYTAHDMV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@@H]1CC2CCC1CC2	2035408527	KVDGSCIBYDKSRJ-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C)cc1	2035425392	SKAMKCMOKFWQQO-USXIJHARSA-N	245.410	4.614	0	10	BJAE	
CC(C)NC[C@@]1(C[C@@H]2C=CCC2)CCC[C@@H](C)C1	2035595613	YWPHGASQJYKUAF-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
NC1(CCC2CCCC2)C[C@@H]2CCCCC[C@H]2C1	2035862163	QUCBHUJBDJJCMG-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C=C1CCC[C@H](CCN)C1)C1CCCCC1	2038863194	VBHQCUCXUJRCMO-HUUCEWRRSA-N	249.442	4.668	0	10	BJAE	
CCC1CCC(NC[C@@H]2CC23CCCCC3)CC1	2039057546	GDLJYZXGWLIIIA-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@@H]1CCC[C@H](C)CC1	2039364081	UZWZMPDPYWIZGG-LZWOXQAQSA-N	249.398	4.537	0	10	BJAE	
CN[C@@H](c1ccccc1)[C@@H]1CCCC(C)(C)CC1	2039375748	LHKMRLCURDBKGW-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC1CC2(C1)CC(C)(C)C2	2039462142	PAFTXHMOOTUQRY-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@H]3CC[C@H]2C3)CCCCC1	2039866959	DAFNHJIHZQCUCV-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CCC[C@](O)(C[C@H]1CC[C@@H](C)C1)c1ccccc1	2040172938	PMXIKWQRHMOPTA-VYDXJSESSA-N	246.394	4.501	0	10	BJAE	
CC1CCC([C@H](C)NC2CC3(CCCC3)C2)CC1	2040637765	FMIHQLITTFOGDP-SLTAFYQDSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1ccc(C(C)(C)C)cc1	2040722943	DGLRZRPFEZSMHZ-OAHLLOKOSA-N	247.426	4.810	0	10	BJAE	
CC(C)[C@H]1CCCCN1C[C@H]1CCC=CCCC1	2045313408	YKNGYEUFLORAAC-DLBZAZTESA-N	249.442	4.633	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)C[C@H]1CCC=CCCC1	2045320028	JJVCOGGYRUAGSF-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
CC[C@@](O)(c1ccccc1)[C@H]1CCCC(C)(C)C1	2045368223	SOMTUVPZDFKINP-DOTOQJQBSA-N	246.394	4.501	0	10	BJAE	
CCCCN(CCC1CCCC1)c1ccccc1	2046577204	MBVGETDBWAKOBV-UHFFFAOYSA-N	245.410	4.873	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@@H]1CC12CCCCC2	2047008056	LYKDNNNEUOFZOZ-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2CCC23CCC3)CCCCC1	2047932608	NQHAAWXFZZZSNM-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@H]1CCC12CCC2	2047942574	LIHYTEBGZKDCIW-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2[C@H]3CCCCC[C@H]23)C1	2048470461	QCHCOARQKJBETL-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)CC1(C)CCCC1	2049795524	TVGCXVRJNDMNLN-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC1(NCC2CCC3(CC2)CC3)CCCC1	2049856284	OERUDYLAEDSNHD-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@]1(C)C=CCCC1	2049999009	AOLHZNLESQLTKI-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)[C@]1(C)C=CCC1	2050008014	RZMSDUSQMYIAIM-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@H](N)c2ccc(C)cc2)CC1	2050426789	QHFYQDCJGZJQMW-DQPZFDDXSA-N	245.410	4.601	0	10	BJAE	
CN(C1CCC2(CCC2)CC1)[C@@H]1CCC(C)(C)C1	2051646491	TXJUCKKMJZBDIT-OAHLLOKOSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2055226809	WEAQMDIUDGMLNW-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@@H](NC2CCC3(CCC3)CC2)CCC1	2055551954	KMCLWWVEZPQGNI-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H]1CCC[C@H]1C(C)C	2056451836	WSUNIBKUAOGBNN-ULQDDVLXSA-N	249.442	4.559	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@@H]1CC=CCC1	2056873291	LXQKMYSGJUZFDB-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
N[C@]1(C=C2CCCCC2)CCCC12CCCCC2	2056911749	TWKTURDASANOSO-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H](C)c2ccccc2)CC1	2058992024	OEBFSSFMHZQIQC-DZKIICNBSA-N	244.378	4.576	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCCC23CCC3)C1	2059398501	VLYBGVVYKCAMLE-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C1=CC[C@H](C)CC1	2060922458	RTZKPYFCNVJSJJ-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@@H]1CC1(C)C	2061088230	LOLPKTUHAXSPGY-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C2=CC[C@H](C(C)(C)C)CC2)C1	2061113526	PKTCUZIVEDWSGP-JKIFEVAISA-N	249.442	4.667	0	10	BJAE	
CCC[C@](N)(C1=CC[C@H](C(C)C)CC1)C1CCC1	2061119928	SUTBOLBILDDJIU-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CC(=C3CCC3)C2)CC1	2061259220	ZWBKNVDNFGRZHN-CJNGLKHVSA-N	247.426	4.578	0	10	BJAE	
c1cc2c(c(CC3CC(=C4CCC4)C3)c1)CCC2	2061725294	DDCRGXZEDUFSSP-UHFFFAOYSA-N	238.374	4.608	0	10	BJAE	
CCc1ccc(CC)c(NCCC[C@H]2C[C@H]2C)c1	2062645616	GUMFCRIZHWEURZ-CJNGLKHVSA-N	245.410	4.660	0	10	BJAE	
CC1CCC2(CC1)CCN2CCCCCC1CC1	2062765006	ITLSFFCVYOHBAD-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC1CCC(N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063491472	RPJPQPMLNAXHAB-AQRZSSMZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC(C)(C)C1)c1occc1C	2063677297	GVSWHKDDBCUUHH-UONOGXRCSA-N	249.398	4.598	0	10	BJAE	
CC1(C)CC[C@@H](NCCC23CCC(CC2)CC3)C1	2065259233	MKERIZZOTFYVPK-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@H]1CCC1(C)C	2068247843	ZXRROSLRYRJLBS-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@@H]3CC[C@@H]3C2)CCCCC1	2068773505	WROZFWQGRNLTBC-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)C)c1ccccc1C1CC1	2068820290	PZUDLQODIUVRJN-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C1(CC(C)C)CC1	2069511593	RDCSMCMBDPASEM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC[C@]1(C)C[C@H]1C)c1ccccc1	2070967033	LWALISVRDOXHDE-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CC(C)C1(CC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CCC1	2071923099	ZDMKXQCWLCFIPR-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
C=C=CC[C@H](CC1CCC(CCC)CC1)NCC	2072796090	LHANORYCGGNWHI-OFLPRAFFSA-N	249.442	4.692	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)[C@@H]2CCCC3(CC3)C2)CC1	2072798109	GOBKATDKNBWDAK-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](C[C@]23CCCC[C@H]2C3)NCC)CC1	2074026034	RQIQFXDXTQKBCE-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
c1cc(C2CC2)ccc1NC[C@]12CCCC[C@H]1C2	2074046080	IPRKGTWPGVEPGP-DOTOQJQBSA-N	241.378	4.556	0	10	BJAE	
CCc1ccc(NC[C@]23CCCC[C@H]2C3)cc1C	2074048642	YGJCVFCESZOCPY-DOTOQJQBSA-N	243.394	4.550	0	10	BJAE	
CC(C)C1(C[C@H]2CCNC3(CCCC3)C2)CCC1	2074136030	XBZNONPENOQVLC-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@]2(CCN2CCC2=CCCCC2)C1	2075147725	XBQBKZPSBQVRAR-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
CCCCCc1ccc(C(=O)C2(C)CCCC2)o1	2077978143	IFKDHLJHUPCGGT-UHFFFAOYSA-N	248.366	4.775	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CCC3(CC3)C2)cc1	2078345775	FZDOBCBVSGUOTK-XJKSGUPXSA-N	243.394	4.945	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2C[C@H]2C2CCC2)CC1	2079330403	YHCMRZOWIKKKFN-JIDKMEAJSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H]1C[C@H]1C1CCCCCC1	2079526497	DIKHFSPQLWZCTH-IKGGRYGDSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(N[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079527878	JIHZRGJBDUKPKL-MHVXSEJMSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@]1(N)C[C@H]1C[C@H]1C1CCCCC1	2079671639	RHIHKDDZFABBSU-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(OC[C@H]2C[C@H]2C2CCCC2)c(C)c1	2079801879	IORLQYOUFZBCJX-CVEARBPZSA-N	244.378	4.509	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2C[C@@H]2C(C)C)cc1	2079810403	BLIRAUMYHVQXER-YSVLISHTSA-N	246.394	4.871	0	10	BJAE	
O=C(C[C@@H]1C[C@H]1C1CCCCCC1)C1CC=CC1	2079860488	DMQPHNWPMDPUGL-HOTGVXAUSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1ccnc(-c2cc(Cl)cs2)c1	2080277033	CANDKLNTQTZNQB-UHFFFAOYSA-N	237.755	4.587	0	10	BJAE	
CCc1ccccc1[C@@H](C)Nc1ccccc1C	2081207204	RVMRJLDYKHCKRQ-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
Cc1cc([C@@H](N)C[C@@H]2CCCC(C)(C)C2)c(C)o1	2082976923	VBPMJIIJOHMXQY-ZFWWWQNUSA-N	249.398	4.503	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](Nc2ccccc2C2CC2)C1	2085320305	IVQMDJUOVKUXLF-CABCVRRESA-N	243.394	4.801	0	10	BJAE	
CCC[C@H]1CCC[C@@H](N[C@H](CC)C2CC2)CC1	2213099644	PJZWEWCTZVOLMQ-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
NCC1(CCCCCCC2CC2)CCCCC1	2213571079	CXAINLBWHKACKZ-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CC1(C(=O)CCCCC2CC2)CCCCCC1	2214557394	JHYHVIUDLUQRMG-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
O[C@@H]1CCCCCCC[C@@H]1CCCCC1CC1	2214570069	QLTKBAWCUAGYAE-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CC[C@](N)(CC[C@H]1C[C@@H]1C)CC1CCCCC1	2215245315	DSCRRUITJFKZNT-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)[C@]1(C)CC=C(C)CC1	2215809205	IJKUXSMCVALZAL-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)CNC[C@H]1CC=C(C)CC1	2215832136	FWDKYQVQSUYDFL-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CC1(C)C[C@]1(CN)CCCCCCCC1CC1	2216875932	AGBLTHKXVRSHFU-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@@](C)(CN[C@@H](C)CC)C1CCCC1	2217128649	KQJGYQKUKTVARE-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@]1(CN[C@@H](C)CC)CCCC[C@H]1C	2217130853	UUTIGDORFNHTQW-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218360235	ZYKVZMYSTMRVJV-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1C[C@H]2CCC[C@@H]21	2218725149	LPKHRHXICOYFSS-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@](N)(CCCCC1CC1)C2	2220042309	SMILTQWCDROYNV-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@H]1C[C@H]1C1CCCCC1	2220963486	SPFILKBHFLVYHM-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC1(CC(=O)C2(C)CC3(CCC3)C2)CCCCC1	2220998173	BTZILDBYDBQDLS-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2(C)CC3(CCC3)C2)C1	2221082590	BLGOSCISGSNWOP-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](C1CC(CC)C1)[C@@]1(C)CC=C(C)CC1	2221628853	DJPNEZSKKKUIIZ-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC[C@H](C)C2)CC=C(C)CC1	2221661831	FQWGFHHQBFZESX-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H]1CCC[C@H](C)CC1	2221932810	QLSDKJMQIHMXTJ-SWLSCSKDSA-N	244.378	4.703	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)C1(C)CCC(C)CC1	2221998614	XQGWFUNPFFJIFN-PTXATLKXSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H](CC)CCC	2244782449	MRWRYJKJMHFCTF-ZNMIVQPWSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)[C@H](CC(CC)CC)NCC	2244783870	RTGBQLUIGLMGTK-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@](C)(N)CC[C@H]1CCCCC12CC2	2246622050	ZNFDIZGEALBMLQ-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(NCCCC[C@H]2C[C@@H]2C)c(C)c1	2247114847	JIKVJJMGSJQLSE-ZFWWWQNUSA-N	231.383	4.542	0	10	BJAE	
CCN[C@H](CCCCC[C@H]1C[C@@H]1C)CC(C)C	2247129521	OWIJDAFNPRQNTG-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC[C@@H]1C[C@@H]1C)CCC(C)(C)C	2247130546	VYZFXMRMOKHSCD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)CCCC[C@H]1C[C@@H]1C)C(C)C	2247166811	VLTBSVKUVYOUOM-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CC[C@](O)(C[C@H]1CCC1(C)C)C1CCCCC1	2247344468	BNONEBXQUQOKJC-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CCCC[C@H]1C	2248807999	PYYDWOJDOPHHDM-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(OCCCCC[C@@H]2C[C@H]2C)cc1	2248814472	MOJIBEBGGOTVNY-HUUCEWRRSA-N	232.367	4.590	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC[C@H]1C[C@@H]1C)NCC	2250351403	CLWZLJVPZAMXLE-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC[C@H](C)N1	2250476810	QHJKSXXQTVMBAG-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)[C@H]1CC1(C)C	2250478225	GKZZIUZYBBUTMJ-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)NCC1CC(CC(C)(C)C)C1	2251536995	VMQNJDMVMRHYSU-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CC3(CC(C)C3)C2)C1	2254488898	RKKXTZHOBWTMKD-APMDICNKSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc([C@H](N)CCCCC2CC2)cc1	2256291855	JIRRNLMLULQEGB-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCCC1CCC(N[C@@H](C)[C@H]2CC23CCC3)CC1	2256439169	WRUJAGQUUJOGIZ-SLTXQBBLSA-N	249.442	4.514	0	10	BJAE	
COc1cc(C)c(C[C@@H]2C=CCCCC2)c(C)c1	2257451417	ZCTQCZCYVIQYKM-OAHLLOKOSA-N	244.378	4.601	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc2ccccc2c1	2259446706	HGYJSSSXXVBWCC-CYBMUJFWSA-N	240.346	4.849	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@H](C)CC1CCC1	2298850168	NGIOOKQPMCRTEQ-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CCC(N)([C@@H](C)CC2CC2)CC1	2298869698	ZLLOTZTVOPQBPA-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@@H](C)CC1CC1	2298906771	BQHBZFHDLBCYEZ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)[C@H]1C[C@H]1C	2300466678	SQHAUMDYTKUJIY-NFAWXSAZSA-N	231.383	4.575	0	10	BJAE	
CC(=CCC(=O)[C@@H]1CC12CC2)CCCC(C)C	2300928254	DDIKFZRIPCTSEB-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(O)CC1CCCCCC1	2301135506	LBSYTZIWRJZJMC-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CO)CC1CCCCCC1	2301240942	DYRYCDOXXUSDOL-HOCLYGCPSA-N	238.415	4.536	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)NCCCCCCC1CC1	2301720912	UPAXYNMQNMUBOF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H](C)[C@H](C)C(C)C)C(C)(C)CC	2301841545	WEOWADWBURIUCS-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1C(C)(C)C[C@]1(N)CCCCCCC1CC1	2302127121	IFLKRZYNSQWTHQ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1N[C@H](CCC2(C)CCCCC2)CC[C@H]1C	2302685812	SESZINZVXXLTPV-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)[C@@H](C[C@@H]1CCC(C)(C)C1)NC	2302689202	FLKOTCQWJGOCCC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)CC[C@H]1CC[C@H]1C1CC1	2303064572	BTUUUUAOHUONPA-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CC[C@@H]1C(C)(C)C	2303404804	GKPVXCXDRVSZRE-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNCC)CCC(C)=C(C)C1	2303579732	PSTKSWVKAJCJIY-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](CC)CC1(CNC2CC2)CCCC1	2307747125	MDXSRLSXHOECBZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@](CC)(CNCC)C(C)C	2307750893	ZXMXJOCGJOWAFP-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCCC(F)(F)C1	2307832621	UYUUDQGIGVVWLX-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@@H](CC)C(C)C	2307895567	QSGKKOMWTKNORS-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H](CC(C)C)C(C)C	2307906880	AAJQVDIGXNGCLA-JYJNAYRXSA-N	242.447	4.882	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@@H]1C[C@H]1C(C)C	2311518926	YGOHSQCYKDUIDM-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H]2C[C@H]2C2CCCCC2)C1	2311610321	MHXSDWINTIBLOV-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]3C[C@@H]2C3)CC1	2312544981	BMHXBGAKOHEATB-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CC1)[C@@]1(CNC(C)(C)C)CC=CCC1	2313587957	RBUAEPJNSZPPHR-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CC1)N1CCCC[C@@H]1C1CCCCC1	2313601165	WVRSASLRZAPMCK-RHSMWYFYSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C(CC1CC1)CC1CC1	2313608324	KTJJFMSEYGAGAE-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C(CC2CC2)CC2CC2)CC1	2313651653	PKHUJBRMVFHRAM-NNUKFRKNSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)c1ccc(C)c(CC)c1	2314635415	FCTKAESHXCFBQQ-QGZVFWFLSA-N	248.410	4.735	0	10	BJAE	
CCCC(CCC)CN[C@H]1C[C@H]2C=C[C@H]1CCC2	2317124838	QZCALWBKZZRAFQ-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)C12CCC(CC1)C2	2318593242	RQHLHAHZXYSRGQ-CGZBRXJRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2319309277	SDHDEKOLFVBWRT-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1(C(=O)CC[C@@H]2CC[C@@H]2C2CC2)CC1	2319731848	WXBQNOMSMCKUSN-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@@H](N)c2cccc(C3CCC3)c2)CC1	2320655144	JCLBYBYYDCJZBN-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCc1ccc(C(=O)CC[C@@H]2CCC(C)(C)C2)o1	2321646722	ZXYHUTZRSNEDKV-GFCCVEGCSA-N	248.366	4.631	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1cccc(C(C)C)c1F	2327764118	ANTGWPJAUAXIDQ-OLZOCXBDSA-N	249.373	4.797	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccncc1C(C)C	2328212121	DURVWQQTOBODEE-ZDUSSCGKSA-N	247.382	4.604	0	10	BJAE	
CC[C@@H](Nc1cc(C)ccc1F)c1cccs1	20471537	VCKVYPYRTSYSOC-GFCCVEGCSA-N	249.354	4.759	0	10	BJAE	
CCC[C@@H](N[C@H](C)c1ccco1)c1cccs1	49541058	XKENULSTLHZSIZ-VXGBXAGGSA-N	249.379	4.533	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)c1ccccc1Cl	50399684	ZZDLDLBVVJWMMI-RYUDHWBXSA-N	239.790	4.569	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](CC)CCCC	68986609	KFVZCAHBOMVRPQ-LSDHHAIUSA-N	227.436	4.904	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@H](C3CC3)C2)c1C	81624372	KDKSDDDNOCCKSB-HOTGVXAUSA-N	243.394	4.684	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](CC(C)C)NC)cc1	90483274	CDJGIZSRXSSEIL-MRXNPFEDSA-N	247.426	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Sc1cccc(C)c1N	91945416	UTPXFDMQOYYLPL-CHWSQXEVSA-N	249.423	4.638	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CC2CC2)c(C(C)C)c1	104010626	KCFPJULFNVWQCQ-KRWDZBQOSA-N	245.410	4.733	0	10	BJAE	
C/C=C\[C@@H](C)Cc1cc(CC)ccc1CC	107473399	RZXRMFXFHYEWGD-DMTLFAOVSA-N	216.368	4.566	0	10	BJAE	
CCCN[C@@H]1CCCc2ccc([C@@H](C)CC)cc21	110269440	ARUJMWRSOWRROZ-SUMWQHHRSA-N	245.410	4.577	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H](C)C(C)C	124760051	RDLCGVUVMZPBKQ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CC1(CNC2CC2)CCCCC1	149095433	PZABULBJVWJUQI-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCC[C@@H]2CC)CC1	164065868	UFWQRCHNVIYJQM-BHDPWAOGSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(O)CC1CCCCC1	214799531	NZHFGMNOVPDAKO-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C1CCC(c2cccc(O)c2)CC1	216731296	IBYPHOVUNCLLBN-UHFFFAOYSA-N	232.367	4.712	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CC[C@@H](C)[C@@H](C)C1	220641250	UAUYAJXIXOZBTN-QKPAOTATSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)CN(C)c1ccc(C)cc1	220683653	JAEBHWDDTTWAEX-OAHLLOKOSA-N	233.399	4.648	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)CCC(C)C	225981064	LOKSYEMLBFIXPD-CABCVRRESA-N	227.436	4.760	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](O)c2cc(C)cc(C)c2)C1	226984770	NWGHLCVHYXUPRR-YQQAZPJKSA-N	246.394	4.553	0	10	BJAE	
CCC[C@@H](C)Sc1ccc(O)c2ccccc12	233284355	IYZSDWAFCKXRDV-LLVKDONJSA-N	246.375	4.826	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(Cl)ccc1C	233288991	QIIQNSBXTSIDPU-GFCCVEGCSA-N	225.763	4.639	0	10	BJAE	
CCC[C@H](C)C[C@H]1CNc2c(C)cc(C)cc21	233332205	HADOUGBRFHYEPW-FZMZJTMJSA-N	231.383	4.639	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)c1c(C)cccc1C	233336287	LCDSQYNGBSYQCH-BBRMVZONSA-N	247.426	4.780	0	10	BJAE	
CCC[C@H](CC)N[C@H](c1ccccc1)C(C)(C)C	233347640	YUOKVAVNEFRSCI-JKSUJKDBSA-N	247.426	4.942	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@@H](C)C(C)(C)C)c2c1	235535521	GVQOSLHOLGYCOU-GFCCVEGCSA-N	229.367	4.934	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@@H]1CCCC[C@H]1CC	250802543	LXBMVHSCQCTBQG-FVQBIDKESA-N	249.398	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](CCC(=O)c2ccccc2)C[C@H]1C	251938919	VWRJVFZZGQZJRC-KFWWJZLASA-N	244.378	4.722	0	10	BJAE	
CC(C)SCc1coc2ccc(Cl)cc12	257926217	DNPXRIBTBMEFOR-UHFFFAOYSA-N	240.755	4.728	0	10	BJAE	
CCCC[C@H](CCC)NC1[C@H](C)CCC[C@H]1C	300689982	JSZJNQGGXBVAMJ-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C)C(=O)C1CCC(CC)CC1	300954994	PNIQJSKLYQKUPJ-HSBZDZAISA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H](C)[C@@H](CCC1CCCCC1)C(C)C	302283418	VKACSZQNWUIANL-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](N[C@H](C)CCC(C)(C)C)C[C@H]1C	306045136	OAXFIKBKAWEDCF-GBJTYRQASA-N	239.447	4.616	0	10	BJAE	
CCOc1cc(Cl)c2scc(Cl)c2c1	306722309	PYALQDPVSLLNKD-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CSc1ccc2scc(S)c2c1Cl	307310900	ZFPYHKBVHJPIBJ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CSc1ccc2c(Cl)c(C)sc2c1	307559134	NSPYAOCDJRUQPW-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)c1ccc(C)c(C)c1	308042135	BPTXBGDKLQWZHF-WBVHZDCISA-N	247.426	4.766	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@H](CC)CC(C)C	308095826	MCRJWEMZAZETOA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)[C@H](C)CC(C)C	308118179	YHQRQSOUPWXYRZ-KGLIPLIRSA-N	226.404	4.700	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1ccsc1Cl	308348722	JPAGAYNWCQHGME-SNVBAGLBSA-N	246.803	4.651	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC2(CC)CCC2)C1	310407353	LWYOSUQEEKFYDV-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC[C@@H]1CCC[C@@H](C)C1)CNC(C)(C)C	310508918	LGDTXAHKRMLVAR-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CNC2CC2)(C2CCCCC2)CC1	317594065	NECXTFUMTJFCGP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(CC(CC)CC)CC[C@H](C)C1	318367354	ZCNFMLGWWYCHHN-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)CC/C=C/c1ccccc1	324150745	OLNHQEDTODVDDH-FKZVYCBESA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H](C)C1)C(C)(C)CC	380112765	ZXCRGEWMLXURFJ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](C)(CNCC(C)C)CC1(C)CCCC1	383792856	RIDZAHSILOFALZ-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)c1ccccc1CCC	384562704	SKBGOZVPSZIHHP-CABCVRRESA-N	247.426	4.521	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccccc1Cl	384763062	OIFYMEQKYIVKCZ-JTQLQIEISA-N	225.763	4.577	0	10	BJAE	
C[C@@H](C[C@@H](N)C(C)(C)C(C)(C)C)c1ccccc1	385129649	KYLBLSSDTGNXTH-DZGCQCFKSA-N	247.426	4.580	0	10	BJAE	
CCc1ccc(N[C@H](CCC(C)C)C2CC2)cc1	385438026	QZTZLAPRHCQZIW-QGZVFWFLSA-N	245.410	4.876	0	10	BJAE	
Cc1cc(F)cc(NCC2(C)CCCCC2)c1	394567264	PGIDNIIMAJDNBZ-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCNC/C(=C/C(C)(C)CC)C1CCCCC1	394667519	JJLUHPVJQYVOMH-QINSGFPZSA-N	237.431	4.539	0	10	BJAE	
CC[C@](O)(c1cccc(CC(C)C)c1)C(C)(C)C	395465884	LMIVHYHPUFSTIG-KRWDZBQOSA-N	248.410	4.529	0	10	BJAE	
CCc1c(C(F)F)c(F)cc2ccsc12	396257178	VRTQDEAAOJZRAQ-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1c(C(F)(F)F)sc2cccc(F)c12	396289591	AJSRMNQNUKQEDX-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCCC1CCC([C@H](N)CCC2CCC2)CC1	398826931	FYZAYYDKUWISRL-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1cc(C)ccc1C	401574960	HIDUEFZPVJWUAG-HZPDHXFCSA-N	245.410	4.932	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1ccc2c(c1)CCCC2	404663788	XVVGZTTXVHDUBM-CXAGYDPISA-N	243.394	4.556	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CCC(C)(C)C2CC2)C1	406072745	OXYDFPJXHFUAGS-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCC(C)(C)CC)CC1	686307510	OLNALFKOHJXAGT-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCCCC(C)(C)CNCC1(C(C)C)CC1	687533088	SOHWOJRJBAXDAP-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)CC2CCCCC2)c1	689714272	DJHUHGYDZJCPMF-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2cccc(C3CC3)c2)C1	690075991	NBNDYZVZBQVLAV-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCCCC[C@H]1C	691077482	HEKDOSVONFCODG-BXUZGUMPSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)[C@H](C)C1CCC1	692753650	VENSAUKTQHAWGG-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CCC)NCC(C)(C)CC(F)F	694000916	NWJNIWZUZPGXCW-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H](CCC)[C@H]1CCC12CCCCC2	694383007	KNFPCOJEINAQBM-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC1CCC2(CC1)CC2	695698403	FFNPPVJPCDBBKF-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCC[C@H]1C1CC1	696050455	ORSALSHMTDHRGV-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
CCc1ccc(CC)c([C@@H](O)CC(C)(C)CC)c1	697293104	VYVFKQCIGKYOQB-INIZCTEOSA-N	248.410	4.671	0	10	BJAE	
Cc1cccc(C(=O)[C@@]2(C)CC[C@@H](C)C2(C)C)c1	699054120	WKYYNKRZPWUMSA-CXAGYDPISA-N	244.378	4.640	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1C[C@@H]1C(C)(C)C	699848239	JGOAGPVPSJPUCB-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@H]1n1ccc2c(F)cccc21	704959397	NMTICWDRGJKEOO-SMDDNHRTSA-N	231.314	4.532	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNCC[C@@H]1CC=CCC1	706771486	DCKZDTWOFGGIIR-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@H](C[C@H](C)C(C)(C)C)C1	710753709	NNRSPXLAVUQIHK-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@]1(N)C[C@@H]2CCCC[C@H]21)C1CCCCC1	712417397	PCSFCPXGRXUDIK-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C1(CCC)CC1	713126261	RVVQQPONJFRJRY-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)COc1cccc2ccccc12	713239165	HJFFHAMUQHWECU-UHFFFAOYSA-N	242.362	4.901	0	10	BJAE	
C=C/C=C/CC[C@H](CC1CCCCC1)NCCC	713687706	VNKXDPKFVSCGGO-FUTAKVPZSA-N	249.442	4.847	0	10	BJAE	
C/C=C/CCc1ccc(SCCC)cc1	714553127	OGSAKEGSBJEVLE-HWKANZROSA-N	220.381	4.697	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@H]1C1CC1)CC1CCCCCC1	714806562	FNJLQGGOJNJEDZ-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCCCCC1CC1	716369074	DYBHFGNCBBDACS-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C[C@H](N)CC1CC(C)(C)C1)C(C)(C)C	723558048	SFWISKPQTRPBGO-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C)CS[C@H](C)CCc1ccccc1	1165831972	BWWRZIJBEXMABC-ZIAGYGMSSA-N	236.424	4.787	0	10	BJAE	
CCCC[C@@H](NC[C@H](C)CC(C)C)C1CCC1	1307666077	ALTBDWKPHJPFFE-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C1CCC(SC[C@H]2CC3CCC2CC3)CC1	1652477636	CLWUJUVQSGBXGH-JXQTWKCFSA-N	238.440	4.879	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1C[C@H]1CCC	1897618213	VKGCLPDKSPBSBX-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
Clc1ccc(CCCC2=CCCCC2)nc1	1901957019	ULWDHYRGNMUCRW-UHFFFAOYSA-N	235.758	4.558	0	10	BJAE	
Cc1sccc1OC[C@@H]1CCCC(C)(C)C1	1904942994	QTINIVWNZYXIGC-GFCCVEGCSA-N	238.396	4.652	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(C)CCCCC1	1905321882	YHLONHGGYLCGML-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](C(=O)C[C@H](CC)CCC)C(C)C	1905451447	VLQIBYIHDYODGJ-KGLIPLIRSA-N	226.404	4.844	0	10	BJAE	
C[C@@H]1C[C@H]1CCCn1ccc2ccc(Cl)cc21	1908537307	KLOWHQVRHSRHBW-DGCLKSJQSA-N	247.769	4.731	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@]12CCCC[C@@H]1C2	1909891849	HXTDWCMJQYLFIS-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](N)[C@@H]1C[C@H]1C1CCCCC1	1910633650	KHXCBRLHRDWTCC-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
Clc1sccc1NCC=Cc1ccccc1	1911700778	FTGJHFHDBAPQGO-UHFFFAOYSA-N	249.766	4.527	0	10	BJAE	
Cc1ccc2ccn(CC=Cc3ccccc3)c2c1	1911806287	GPTOBHQLOUOPLK-UHFFFAOYSA-N	247.341	4.663	0	10	BJAE	
CC[C@H](C)C[C@@H](CCC=Cc1ccccc1)NC	1911849768	HZFGAIPHLVKTSY-DOTOQJQBSA-N	245.410	4.504	0	10	BJAE	
C=CC=CCCCc1ccccc1C(F)(F)F	1912073017	JWTWKBWDWFMYQB-UHFFFAOYSA-N	240.268	4.770	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@H]1C=CCC1	1913386325	KZEUNZFMXLMFNF-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCC3(CCCC3)C2)C[C@H]1C	1916439858	BOWKROMMLJFMIG-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCCC1CC([C@@H](CC(C)(C)CC)NCC)C1	1921267188	UWLXTOMMJBVFHT-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](O)[C@@H](c1ccccc1)C(C)C	1921286214	JYUHGLDGLANEEZ-CVEARBPZSA-N	248.410	4.613	0	10	BJAE	
Cc1ccc(NC2C[C@H]3CCC[C@H](C2)C3)cc1C	1923465061	DSVSHNZKOHBLGT-GJZGRUSLSA-N	243.394	4.684	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(N)C[C@H]3CCC[C@@H](C3)C2)C1	1923475807	HWPNRMAXNPQPPI-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H](C)C1CCCC1	1923914808	YQUIXBKKLKDBIU-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C(=O)CC1CC(C)(C)C1)C1CCCCC1	1924085312	CUOBWSKHPUNQSV-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(F)cc1C(=O)[C@H](C)C1CCCCC1	1924099999	VBRABOARRLCNHR-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCCC1)C1(C)CC(C)(C)C1	1925809465	ISSXQLSERFHEIC-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
COCC1(CC[C@@H]2C=CCCCC2)CCCC1	1925814849	PUTWGFBNOJTFOW-OAHLLOKOSA-N	236.399	4.720	0	10	BJAE	
CCc1ccc(C[C@@H]2C=CCCCC2)cc1	1925815725	ZINFKPZHPFWPBK-OAHLLOKOSA-N	214.352	4.538	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@@H]2C=CCCCC2)CC1	1925903584	UMYFVDKQQQIAKF-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](NC[C@H]1C=CCCCC1)C1CCCCCC1	1925942450	JEUHEHSQCKUORD-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc([C@@H](O)CC(CC)CC)s1	1926393335	NDKKJUBTSVKCEW-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
Clc1cccc(Cl)c1CC[C@H]1C=CCC1	1932593748	VEODHJBPMWGCFV-JTQLQIEISA-N	241.161	4.892	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1csc(Cl)c1	1933600674	SJEDFQGGZZVDLY-BXKDBHETSA-N	246.803	4.651	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCC(C)=C(C)C	1936210038	WFCOPARAQNKYIZ-HUUCEWRRSA-N	225.420	4.523	0	10	BJAE	
C=CC=CCCC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C	1936715238	BHIMZHWTIGZVFM-SOUVJXGZSA-N	218.384	4.971	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1csc(CC)c1	1936758247	FIIRRSWTAHDAHC-SMDDNHRTSA-N	239.428	4.527	0	10	BJAE	
CC(C)c1cnc(C2C[C@@H](C)C[C@H](C)C2)s1	1937458857	QSKSTTTVZMDMID-QWRGUYRKSA-N	237.412	4.806	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1CCC(C)(C)C1	1938008308	UIVLAJPMMJCZLV-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)[C@@H](C)CC(C)C	1939046353	JRINYTKZUMTDCB-ZFWWWQNUSA-N	228.420	4.636	0	10	BJAE	
CC(C)CCCCCC1(CN)C(C)(C)C1(C)C	1940295116	WDQXJCRVOUSTFR-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CC1(C)CCCCC1	1940418050	ZBURAJJXBQEUHT-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)CCC1(C)CC1	1940794784	DBDFUNWKDBYYQD-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)C1CCC([C@](C)(N)C(C)(C)C)CC1	1941154106	CQVZYEDEOLRYOT-ZUEPYMLJSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CCC12CCCCC2	1942657141	FFDQQNUVOPYFNO-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@H](C)CCC(C)C	1942658468	PPKZHRLKFXIDKA-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@H](C)C1(CN)CCCCCCC1	1942660678	UNEGRPIOYZQLIR-HNNXBMFYSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)C)CC(C)(C)F	1947084485	QCDPVXWNDXMJBG-ZIAGYGMSSA-N	245.426	4.565	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC1CCCCCCC1	1947454278	RBDVWKGGQISXHO-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@H](C)CC(C)(C)C	1947454381	ARUYPNVFSLHQIS-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CC[C@H](C)[C@@H]1C(C)C	1947515607	NESSZQBUBLRKTQ-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CCC1(CC)[C@H](N)[C@H]2CCCCCCCC[C@H]21	1947881900	UIUKWXAZAGJUHM-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)CCC(C)(C)C1CC1	1949033844	NLLVCGFFRXDIKL-CZUORRHYSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC1CCC(CC)CC1)C(C)C	1949835376	UPEXKKGBEHZRBM-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CC23CCCCC3)c(C)s1	1950599266	MWQLYOLBMRKNEY-ZDUSSCGKSA-N	248.391	4.518	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CC12CCCCC2)C(C)(C)C	1950605914	XIDTXIQUXKVKHR-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@H](O)CC12CCC(CC1)C2	1950897030	POKHJKHWGFUVKV-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(CO)CCC[C@@H](C)CC1	1950908284	LZKJCVKJMCICDC-OWCLPIDISA-N	240.431	4.638	0	10	BJAE	
CC(C)[C@@]1(CNC(C)(C)C)CCC[C@H](C)CC1	1950926032	YWLXTCKSVOFAJE-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCCC(C)(C)C	1950968258	IAXMOMVREKMFIS-RRFJBIMHSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3C[C@H]3CC2)CC1	1966011745	KKWJGCMNYBKUCO-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](CNC[C@@]2(C)C=CCCC2)C1	1966038550	VKGIZBXONVIFBP-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC(C)CCN(C[C@@H]1C=CCCC1)C1CCCC1	1966162339	AHICXOJJACKIIV-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
Cc1c(F)cccc1NC1CCC2(CCC2)CC1	1968647249	BVWHAUVGAWKSHK-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@H](C)CCC(C)(C)C	1970302355	HRYISYDNGLQQSS-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]2C1)C1CCCCC1	1970664565	KKOLEVCKCQSENU-RKTXRCNFSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)CCC(C)(C)C	1973164745	XGWDDMCODZUFBN-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1[C@@H](N[C@@H]2CCCC3(CCCCC3)C2)C[C@H]1C	1973864292	UQMQIYLSILSDSE-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CC=CCCCc1ccc(C2CCC2)cc1	1984610028	IVYZPGOAYSLFTI-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CC=CCCC[C@H](C[C@@H](C)CC)NCCC	1984615413	CWMFSXKEIKTILF-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](CCC)C1CC1	1990089654	LLDYGXIUAMBUIL-HUUCEWRRSA-N	225.420	4.514	0	10	BJAE	
CCCCN([C@@H](C)CC)[C@@H](C)CCC(C)C	1990894046	RWQUWWIVYMDGSG-GJZGRUSLSA-N	227.436	4.712	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H](C)[C@@H](C)CC	1995204651	QJMLNTGFCNVSIY-MELADBBJSA-N	226.404	4.844	0	10	BJAE	
CCCCC[C@H](CC[C@@H](C)C(F)F)NCCC	1996090958	YAPQURAQZHRDHO-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCCC(C)(C)[C@@H](CCC[C@@H]1CC1(C)C)NC	1996611582	SLJRKGZTNFAXPB-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H]1CC[C@@H](C)C1)NCC	1996613141	OLDWXZYHYRPTGN-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@H]1CCC[C@H](C)CC1	1997213291	DKFZGFHWEJCYKA-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C1(C)CC=CC1	1997543662	KCYFJFNPLIWZBJ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CC[C@H]1CCC=CCCC1)CC(C)C	1999996480	PCZJAFMBLGZTEQ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@H]1CCCC(C)(C)C1	2000052450	VTZBXKFFONEDJV-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(F)(F)CC[C@@H](NC)C(CC)(CC)CC	2000321309	QCRHWCDWMHAJMR-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)CC1(C)CCC1	2001130079	NXFYNDLPDOJWDC-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CC12CCCC2)NCC	2001218448	XFIXNEVZVXFHOQ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@]1(N)CCCCC12CCCCC2	2001572165	KUXRXOXFAGETMW-MRXNPFEDSA-N	237.431	4.789	0	10	BJAE	
CSc1ccccc1NC[C@@]1(C)CC=CCC1	2001696218	CHWGCIOMVNDADL-HNNXBMFYSA-N	247.407	4.567	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@H]1CCC12CCC2	2001852702	XBXLQTLODQASCW-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CN)CCCC(C)(C)C1	2002981652	CZGVDARHFCGBLA-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1CCC2(CC2)C1	2003220237	GKPJVRYAPMFCMJ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCCC3(CC3)C2)s1	2003286035	AHUWLVHYYQBZCW-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(CF)cc2)C1	2007029481	XCXUWLNQNJGLLJ-WFASDCNBSA-N	235.346	4.537	0	10	BJAE	
CCC1(C)CC(Nc2ccc(C(F)F)cc2)C1	2009303274	FWXNWUCTBJQJED-UHFFFAOYSA-N	239.309	4.615	0	10	BJAE	
CCCC[C@@](C)(O)C1=CC[C@@H](C(C)(C)C)CC1	2010724662	COVLFCLCFLXDPW-CZUORRHYSA-N	238.415	4.700	0	10	BJAE	
C=C=CCC[C@@H](NCCC)c1ccccc1Cl	2010989036	PAWGXQZWKAMHNO-OAHLLOKOSA-N	249.785	4.502	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@H]1CCCC[C@H]1C	2011182691	FZUBNXNEJHTVHK-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCCCCC12CC2	2011277022	HFEGUOGPYCNDCA-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCC(O)(CC)CCC1CC2(C1)CC(C)(C)C2	2011845027	DTFFGJZPOGTBOD-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](NCC)CC(C)(C)C1	2012065371	WQLPXEYLBPKJAU-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC(C(C)C)C(C)C)C1	2015283642	GMYJSMASORAOBR-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C)CCNCCC(C(C)C)C(C)C	2015356172	FENQJYNYSUBWBI-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
CCCC1(C[C@](C)(O)C2CCCCC2)CCC1	2015640635	UOQWVWHTJOCEPL-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCCC(CCC)NCC1(CC2CC2)CCC1	2015743596	MYQZZYONLQJNCJ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)NCC1(CC2CCC2)CC1	2015794017	VHIJMSJHBHDDJA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(C[C@@H](O)[C@H](C)C(C)C)CC1	2017650094	CUCHZTNBWNISQT-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(C[C@H](N)CC2CCC2)CC1	2017722144	DPRLVMALSGMSQF-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](CC)CC1)[C@H](C)CC	2017727703	CNCCCMUBAYYCPY-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)C(C(C)C)C(C)C	2018076560	FXXMFLSXGYUPIZ-LSDHHAIUSA-N	241.463	4.862	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@@]12CCCC[C@H]1C2	2018588859	XWSYFKRZVBZSAW-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CCC[C@@H](CC)C2)CC1	2018965870	VQOSIWLHKVEBEB-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2019122011	POTHQGSOOHIQMC-FXUDXRNXSA-N	239.447	4.568	0	10	BJAE	
CCC[C@@H]1CCCCN1C1CCC(CC)CC1	2019165018	XBYVUJOCYGIJLE-HWOWSKLDSA-N	237.431	4.610	0	10	BJAE	
CCCCN(CC[Si](C)(C)C)c1ccccc1	2019393401	LZJPOLMCISXNAY-UHFFFAOYSA-N	249.474	4.631	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@@H](C)CC(C)(C)C	2022689864	XKNDDYXRNIZLTK-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CC[C@H](O)c1sc2ccccc2c1C	2023317964	BJXABAFBJMALMT-ZDUSSCGKSA-N	246.375	4.599	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H](C)CCC(C)C	2023325590	UPVZRXRIVNUXOO-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@H](C)[C@@H]1NC	2024004623	QQQBBLGGPNJXTI-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@H]2CCN[C@H]3CCCC[C@H]32)CCCCC1	2027309547	QYKGBNHGZAEDPN-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@@H](N)CC2(C)CCCCC2)c1C	2027312584	XBKUKVLBCGLOMO-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
CC(C)c1ccccc1CCC[C@H](N)C(C)(C)C	2027500862	YGQRRYHBBVAIDU-INIZCTEOSA-N	247.426	4.506	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CCC1(C)CC1	2027732438	NSNHNPDOSWXPDJ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
c1ccc2cc(NC34CCC(CC3)C4)ccc2c1	2029494926	AGMUORVVLHZVIV-UHFFFAOYSA-N	237.346	4.584	0	10	BJAE	
CC[C@@H](NCC1(C2CCCCC2)CC1)C1CCC1	2029735366	AYIBXQIRXPJPPK-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CCC([C@H](N)C[C@@H]2C=CCC2)CC1	2035596406	BQSTVHQMIOBNEM-MNAZLIDISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)C=CCCC2(C)C)CC1	2037872980	YLYGYSUEVUVSPO-KRWDZBQOSA-N	249.442	4.667	0	10	BJAE	
CC1CCC(c2nc3c([nH]2)[C@@H](C)CC[C@H]3C)CC1	2038007245	MRPJLQFJTCZKIQ-UNTZMWQOSA-N	246.398	4.704	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CCCC(C)(C)CC2)c(C)o1	2039355768	CWOLKMPQIJXSFN-CYBMUJFWSA-N	248.366	4.686	0	10	BJAE	
Cc1ccc([C@H](N)[C@@H]2CCC[C@@H](C)CC2)c(C)c1	2039364511	YKTOINZPLPPEDN-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@@H](C)CC1CCCC1	2039453901	WJRLLJNRTMNKQK-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCC1(CN)CC2(C1)CC1(CCC1)C2	2039460716	URMZANFRNUTMSP-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](NC)[C@@]1(C)CC=CCC1	2042028151	UCQVHJLXKIQFQD-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(NC2[C@H]3CCC[C@H]2CC3)CC1	2042050964	ZQCNJKLETCZCHH-PYBGIAKNSA-N	249.442	4.514	0	10	BJAE	
CC1(CN[C@@H]2CCC3(CCC3)C2)CCCCCC1	2043605874	FKLTWKQXLNBSEX-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCC1CC(N[C@@H]2CCCCC23CCCCC3)C1	2047586472	KEASKFGKICSBPN-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1[C@H]2CCCCC[C@H]21	2048383378	YKPKDIIVHJAWNZ-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
NCC1(C2[C@H]3CCCCC[C@H]23)CCCCCCC1	2049212684	UOZLNLPMWDREAV-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
CCCCCC1CCC(C(=O)c2cc[nH]c2)CC1	2049636862	PNLWOJKGUXOAGU-UHFFFAOYSA-N	247.382	4.584	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC1CCC2(CC1)CC2	2049857258	MTMOLMHHEQPIEQ-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@@]2(C)C=CCCC2)cc1	2049998588	WOFUGKFXUFWHSY-SJORKVTESA-N	243.394	4.556	0	10	BJAE	
Cc1cccc(C(=O)CC[C@H]2CCC[C@H](C)C2)c1	2050456509	RFLLMJZDOPNMQH-DZGCQCFKSA-N	244.378	4.784	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2CCCCC23CC3)C1	2053354071	CJXLQDQHURGDQQ-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](N)[C@H]2CCCCC23CCC3)C1	2053412305	ONQHZXFNWQTDII-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1CC=CC1)[C@@H]1CCC[C@@H](CC)CC1	2053667939	RYKLXAJOHKVESO-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC(C)NCC1(C2CC=CC2)CCCCCCC1	2053693907	IBDPMUZGFYGISJ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C)(CNCC2CCC=CCC2)CC1	2056538801	ARVVEUKWNBVJPB-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)C2(C)CCC3(CC3)CC2)C1	2056552797	NICMNDJRRDAYEA-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C[C@H]2C[C@H](C)Nc3ccccc32)C1	2056641695	BDWWJMNUCKOYTG-VXGQWTEUSA-N	243.394	4.801	0	10	BJAE	
CCc1cc(SC(F)(F)F)ccc1Cl	2059094320	PHPGGLFAUPTDEJ-UHFFFAOYSA-N	240.677	4.514	0	10	BJAE	
C/C=C/CCC[C@H](NC)C12CCC(CC1)C2(C)C	2059258484	HDWNWPLTAMSWOR-JCLNYTLYSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@H](CC2=CCCCC2)NC)CC1	2061099409	OZDQYKSENRYJMQ-YOEHRIQHSA-N	247.426	4.601	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C1=CC[C@H](CC)CC1	2061147218	MPORNTMUHUDBJJ-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@@H]1CCC(C)(C)CC[C@@H]1NCCC	2061563799	SLGNMGJRKJQLBE-CVEARBPZSA-N	249.442	4.692	0	10	BJAE	
C[C@@H]1C[C@H]1CCCN[C@H]1CCCCC12CCCC2	2062603942	SRJDUPMXRKZCJB-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(CCC[C@@H](N)c1ccccc1)C(C)C	2069019351	OLMRQORCAMMWGO-QGZVFWFLSA-N	247.426	4.785	0	10	BJAE	
CC(C)C1CCC(C(=O)C[C@H]2CC23CCC3)CC1	2069168014	MTCMOCMKPWOBFY-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2CC23CCC3)CC1	2069168157	OCMOKGCENQXDFD-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CC[C@@H]2C2CCC2)C1	2071794388	NATXGEJOUKTAHD-OKEQZYBDSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@@]1(C)CC=CCC1	2074645239	ZHZZDXFLUXLNJN-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCCc1ccc([C@H](C)CCNC(C)C)cc1	2077919957	GHZMVCMMBWKHES-OAHLLOKOSA-N	247.426	4.521	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@H]1C[C@@H]1C(C)(C)C	2079819514	NQCMZPNMUFRYKU-ZFWWWQNUSA-N	241.378	4.632	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@H]1C[C@@H]1C(C)(C)C	2079843607	ROBVXZDDOMJTTL-KNCOVGOOSA-N	248.410	4.620	0	10	BJAE	
N[C@]1(C=C2CCCCC2)CCC[C@@H]2CCCC[C@H]21	2081141210	ORMMZFNTMFIYQQ-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](CC1CC(CC)C1)C[C@H]1C=CCCC1	2084996314	VFUUSZQVZSRVCF-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1cccc(C)c1C	2086045099	TWEOWEVHXMAWTR-DYVFJYSZSA-N	248.410	4.943	0	10	BJAE	
O=C(c1cccc2ccccc12)C1CC(=C2CC2)C1	2125739397	QHCXNCPDNFDKTF-UHFFFAOYSA-N	248.325	4.523	0	10	BJAE	
CC(C)=C(C)CCn1ccc2cccc(F)c21	2214782173	GKMIIICRYRYFIT-UHFFFAOYSA-N	231.314	4.527	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@H]1CC[C@H](CC)CC1	2215345626	LACFYKZOODZOAH-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](O)(CCCC2CC2)C1	2216258900	RNVWKGLKJZZACF-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)N(C)CCCCCCCC1CC1	2216859541	IKWGRQUBJSCOPR-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@H](O)CCCCCCCC1CC1	2216860526	BFPWGEZUVHRGSA-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@]1(CN[C@H](C)CC)CC12CCCCC2	2217142439	WFIMDYIHWQFLQF-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCNC1CCC(CC2CCCCC2)CC1	2217470316	MQXMOYGYLOATKW-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)[C@@H]1C=CCCC1	2218377119	BZNUWVGKTPYZNE-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
Fc1cccc(F)c1CC/C=C/c1ccccc1	2219076757	UIYJFMGEKNLOIX-RUDMXATFSA-N	244.284	4.611	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@@H]1CC[C@@H]1C	2220525314	WQBNKDOHIMJVTL-XJNFMUPTSA-N	249.442	4.537	0	10	BJAE	
CC1(CNCC2CCCCCC2)CC2(CCC2)C1	2220935530	KGHMQEVLCISUQU-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1c(F)cccc1NCC1(C)CC2(CCC2)C1	2221026793	ZPINWRBIEAWUGA-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CC1=CC[C@](C)(NCC2CC(C(C)(C)C)C2)CC1	2221602861	SFRCFWDFYKAHOQ-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
C(CCCNC1CC(C2CC2)C1)CCCC1CC1	2223107563	YXSHMZAMQGVBEU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1NC[C@H](C)CC1=CCCCCCCC1CC1	2223111030	RQRZFTDNSHPZFN-CABCVRRESA-N	249.442	4.681	0	10	BJAE	
C(CCCN[C@@H]1[C@H]2CCCC[C@H]21)CCCC1CC1	2223123831	XNNWONTUWFQTRH-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)CC1(CNC2CCC2)CC=CC1	2223553205	WSIAYVJHGQMRRE-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@]1(CNC2CCC2)CC12CCC2	2223577001	MOCUNQLDAXZHNN-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CC1(C[C@@H](O)c2ccc(C3CCC3)cc2)CCC1	2223680717	HCBLRAIKQYRTEC-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1ccc2occc2c1	2224140762	ZIPWKRISGQFOHY-WBMJQRKESA-N	245.366	4.520	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1ccc2occc2c1	2224177108	SFKUVBJYWKHQRG-WBMJQRKESA-N	245.366	4.649	0	10	BJAE	
CCC1(C(=O)c2csc(C)c2C)CCCC1	2242642816	FFYFICHIDCWPOU-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H](CC)CCC	2244776475	YNOYFMXPBJBCMY-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1(C)CC(C)(C)C1	2244779861	FEEBBPXRPAVZIQ-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)c1cc(C)cs1	2244782997	OCHYUDNNIIUYFW-OCCSQVGLSA-N	239.428	4.533	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@](C)(O)CCC(C)(C)C	2247119603	KYMFTIWILWCWLA-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC1=CCCCC1	2247460397	BBRRIHUFEKYEDW-ZBFHGGJFSA-N	237.431	4.811	0	10	BJAE	
CCCC(C)(C)C(=O)CCCCC[C@H]1C[C@H]1C	2248818190	ZYNVLHIXXQNNFD-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)N(C)CCCCC[C@H]1C[C@@H]1C	2248836875	BPBLAVPLPASEMP-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)C[C@@H]1C[C@@H]1C	2250466713	IFSRYULAWHCFNI-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(O)C[C@H](C)[C@H]1C	2250494459	AYZSRBRKSVFWRR-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCCN[C@H]1CC(C)(C)CCC1(C)C	2251675863	VCGZUZTVLFXXTN-UZYOAWRESA-N	237.431	4.537	0	10	BJAE	
CC1CC(C)([C@H](N)CC[C@@H]2CCCCC23CC3)C1	2253849337	FHURGPNIWAQIOX-PWUWZPNHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C2(CC3CC3)CC2)C1	2253910703	LKULTIVBSXVQGD-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC[C@](C)(CNC1CC1)CC1CC2(CCCC2)C1	2254060881	MGMXWGBUEFCBPD-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C)c1ccc(CCC=C(C)C)cc1	2254243681	UFCUXYPUMBZNBL-OAHLLOKOSA-N	245.410	4.646	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C1(C)CC(C)(C)C1	2255141798	UUVOTKOISJUDAC-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@H]1CCCC12CC2	2255232192	FFMWVBISNIPOHP-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)CC[C@H]2CCCC23CC3)CCCC1	2255338820	SRQBTAMDCQGKBL-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@]1(C)C=CCCC1	2257305062	SXNOQPDVPUFWMB-VYDXJSESSA-N	248.410	4.908	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)c1ccc(C)c(C)c1	2259451280	CLOGLAUAGZBRKX-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
CCCCN(C[C@@]12CCCC[C@H]1CC2)C1CCC1	2260564628	HIVBHGIKFCZQJY-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](CC(C)C)c1cccc(C2CCCC2)c1	2260673936	LWOPTMCFYZWLFV-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
C[C@@H]1C[C@]1(C)CNc1cccc(C2CCCC2)c1	2260715587	HZZDTNUSDKWYFM-CXAGYDPISA-N	243.394	4.802	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@H](N)[C@@H]2C=CCCC2)C1	2261128767	RPSBJXYWERMIKJ-QDIHITRGSA-N	249.442	4.523	0	10	BJAE	
CCCC1CC(CN[C@@H](C)CCCC(C)C)C1	2298839109	QREBSCGBNJVVKP-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(N)C1C[C@@H](C)C[C@H](C)C1	2300503067	IPPHSJAVMXEBQQ-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@H]1CCC[C@H](C)C1	2300503236	JXXPSWCJYPCCQE-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCCC[C@@H]1C[C@H]1C	2300507998	NZJOEDKPIPIQHT-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](CC)CC[C@H]1NC	2300684182	RAWJCDUXOGDYAH-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](N)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301137288	HKRFJSGQMAKVQE-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(N)CC1CCCCCC1	2301146232	WVHWDPAKVOOANX-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCCCC1)C1CCCCC1	2301146887	DEPZYLQAJGCMBI-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC2CCCCCC2)[C@@H](C)C1	2301240617	BASVWGMDQXEASC-KCQAQPDRSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCN(C)CCCC1=CCCCC1	2302348063	ZBLKDWSWHFFSIQ-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
C[C@@H]1C[C@H]1c1cc2cc(C(C)(C)C)ccc2[nH]1	2302549813	XARBUEQVSPWCBO-ZWNOBZJWSA-N	227.351	4.589	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H]1CC[C@H]1C(C)(C)C	2303445356	QIOWXAGIPJPDPK-BFHYXJOUSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCC(C)=C(C)C1	2303457946	AIFOGWNQWPDWNL-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@](C)(O)C2CCCC2)C1	2304352374	QZZIOFIQMRYFEH-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CCCC2(O)CCCCC2)C1	2304431520	LXLVIQBMWORKSX-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CC[C@H](CCCCCNC(C)(C)C)C1	2304447807	RPQSCZZLMFHQMH-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CC[C@@H](O)c1cc(C)ccc1C(C)C	2307567792	WDVABFIPWXGIMU-MRXNPFEDSA-N	232.367	4.508	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC(C)(C)C[C@@H]1C	2307840955	DVDUAQSGGGXFOZ-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C[C@@H]1CCCC12CC2	2307903773	PTSCPEIWDXHBAF-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)C(C)(C)C1CCC1	2307908730	IEQPPNPEASQOSZ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)[C@H]1CC12CCCCC2	2307926606	PASQYBGODXNRCV-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@H]1C)[C@]1(C)C=CCC1	2309424748	ZOFRJYUUIPJUEA-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)CC[C@@]12CCC[C@@H]1C2	2310382928	SYISIVPAAQIVEK-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)C[C@@]12CCCC[C@@H]1C2	2311145719	FZRZHGIHYFZXBH-PVAVHDDUSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](N)C[C@H]1CCCCC12CC2	2312661575	QVDLFQNXKDCAAE-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]2CC[C@H]1C2	2312890482	YHHPGIFSCSIMFB-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)C[C@]12CCCC[C@@H]1CC2	2313323510	DAZNQFRPKFZSIP-KCYZZUKISA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@H](C)CC1CCC1	2313588068	SCELYWUFKHFOEZ-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@@H](C)CC=C(C)CC	2316539402	JRKRIEKSAXSIDN-DOTOQJQBSA-N	245.410	4.720	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316885054	OFEANQOHNOFLIL-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
Cc1cc2ncn([C@@H](C)[C@@H](C)C(C)C)c2cc1C	2317828768	UOAFJXSGRSNYKQ-KBPBESRZSA-N	244.382	4.506	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@@H](C)[C@H](C)C(C)C)CC2	2317949828	BZJCNCIPKCKSPW-YCPHGPKFSA-N	245.410	4.650	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H]1CC(C)(C)[C@@H]1C	2318179713	RYTSGISYFOFJMI-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(N[C@H](C)CCC(C)(C)C)cc(C)c1O	2318429172	TYWVISRSQVGAFD-CYBMUJFWSA-N	249.398	4.636	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C[C@H]2CCC(C)(C)C2)c1	2319023447	DWYIDQZAHZVAPK-GDBMZVCRSA-N	245.410	4.520	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1CC[C@H]1C(C)(C)C	2320322175	IWABULGUTZIQLH-LSDHHAIUSA-N	245.410	4.788	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CC[C@@H]2CNC(C)C)CC1	2320333829	KACUTVWMOVXZGY-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(N)CCC23CCCC3)CC1	2320336013	DXZQJOGPKWKNPL-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CCCNC[C@@]1([C@@H]2CC2(C)C)CCC(C)=C(C)C1	2320388177	NQKKECFVASGUSM-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC(N)(C[C@H]2CCC(C)=C(C)C2)CC1	2320395015	UGFVEKWQWKFXMK-CGZBRXJRSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CCC[C@@H]2C[C@H]2C)CC1	2320415140	XVTQUXQDLVSYHD-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@@H](CC2CC2)C2CC2)CC1	2320766501	VABVJBUYXOIRKN-RCBQFDQVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)[C@H]2CC23CCCC3)C1	2321650221	JKLJLTQQBQPSGF-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1cc(C)ccc1C(C)C	2327673345	OJFVCOYKKYEXJY-INIZCTEOSA-N	247.426	4.815	0	10	BJAE	
Cc1ccc(OCc2ccc(Cl)cc2)cc1C	5547148	LXNPXAHJVJUQRO-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)c2cc(C)oc2C)c1	20438452	DELCIGOHAQIDKJ-ZDUSSCGKSA-N	243.350	4.686	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1cccc(F)c1	21800244	OQBJGNAPDLRLHC-KCXAZCMYSA-N	249.373	4.698	0	10	BJAE	
CC(C)c1cccc(C(C)C)c1N=[N+]=[N-]	34408720	GNDBEFHDRSCTPC-UHFFFAOYSA-N	203.289	4.875	0	10	BJAE	
CCCC[C@H](C)Nc1ccccc1C(C)C	37198074	PBOIDFCSFWBZCV-ZDUSSCGKSA-N	219.372	4.801	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](CCC)c1ccccc1	37300059	LBACNHKZRMDSSE-ZBFHGGJFSA-N	233.399	4.696	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC(C)(C)C2)cc1	79971141	PLEHUGBKTCBPBH-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
CCCN[C@@H](CCCC1CCCC1)C(C)(C)C	80422705	QMJPFERRAQDWQF-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](NC[C@H](C)C(C)C)c1ccccc1	81046519	DYZSBBGRFKEZLV-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
CCCC[C@@H](NCCC)C1CCCCCC1	83779785	WISQLJWHMUKBSZ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1	84981897	HSNHYQJBHYTXRO-RBSFLKMASA-N	231.383	4.540	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H](C)CCC(C)C	85388044	RRUQCNJCBKGXTR-LBPRGKRZSA-N	239.790	4.885	0	10	BJAE	
Cc1cccc(-c2cccc(C)c2S)c1S	90744861	HNDCHLYDFBZPAV-UHFFFAOYSA-N	246.400	4.548	0	10	BJAE	
CCC(C)(C)[C@H](O)c1c(C)c(C)c(C)c(C)c1C	104040823	DUPMLLPXVKFTFA-MRXNPFEDSA-N	248.410	4.698	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CCC2CCCC2)cc1	109790701	ABTNDDOSFJPUGW-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)C2CCCC2)c(C)c1	109898528	KCOKCPNXZMJCCL-AWEZNQCLSA-N	231.383	4.602	0	10	BJAE	
CCCCC[C@@H](N[C@@H]1CC1(C)C)c1ccccc1	109942498	DCVXUIUAGDEKIT-HZPDHXFCSA-N	245.410	4.696	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)CC1CCCC1	110203508	HAMCVCOKGIESQI-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H]1C[C@H](CC)CC[C@@H]1NCCC	110462302	XZDUFPQDYZOHSH-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@@H](C)C(C)(C)C)cc1	111654122	VOISAAOACHQINQ-CZUORRHYSA-N	248.410	4.916	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)[C@@H](C)C1CC1	124711775	SPOUXEIMEGNXEW-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(Cl)c(C)c1	124809330	JWVSRWORXCLAOG-AWEZNQCLSA-N	239.790	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@H](N)c1ccccc1	128327289	DVEHPLZSHMDCRF-VYDXJSESSA-N	247.426	4.929	0	10	BJAE	
Cc1cc(C)cc([C@H](C)NC2CCCCCC2)c1	132432753	OOFWFFFBLUBXFF-HNNXBMFYSA-N	245.410	4.677	0	10	BJAE	
Cc1ccccc1CC(=O)C[C@@H](C)CC(C)(C)C	164092151	NOBYOZCCBDDFPG-CYBMUJFWSA-N	246.394	4.569	0	10	BJAE	
CCN[C@@H](c1ccccc1C1CCC1)[C@H](C)CC	169085464	KKSPGTROXQECHT-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
C=CCCCCCCCC[C@H](CC=C)C(=O)O	218076953	IUWVLYZOAYYMBS-AWEZNQCLSA-N	238.371	4.570	0	10	BJAE	
CC[C@H](C)C[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1	226703181	CIMXKWAMEIILKC-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](NC[C@H]1CCC[C@@H]1C)c1ccccc1	230657776	RWNUXWJLCMTEJB-UAGQMJEPSA-N	245.410	4.554	0	10	BJAE	
CN[C@H](CC1CCCCC1)C1(C)CCCCC1	234472871	TZGUXWVPQKLGKZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc2c1NC[C@H]2[C@@H]1CCCCC1(C)C	235918057	QVULLWWSKYORPP-CABCVRRESA-N	243.394	4.721	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)C[C@H]2C)cc1C	251148794	JGHVZEBTJQPLDT-SGIREYDYSA-N	231.383	4.540	0	10	BJAE	
CCC[C@H](C)C[C@H](C[C@H](C)C(C)(C)C)NCC	253034126	HMCCQAWTOBILSF-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@H](C)CCCC	300936673	NGQJQOLEFXBYMN-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCC[C@@H](CCCCCC(C)(C)C)NCC	300966888	ZFRCKHVCYNNTIY-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCCc1ccccc1N[C@@H]1/C=C/CCCCC1	302433696	MUKURZZTQINXEV-GXDWLZFVSA-N	243.394	4.940	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H](C)CC(C)C	304330511	AILLMICPCMHHJF-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)C)c1c(C)cccc1C	305951596	NCMRTMKXPXZARV-CJNGLKHVSA-N	247.426	4.636	0	10	BJAE	
CSc1cc(S)cc2cc(Cl)sc12	307024554	YWPISRDKWVQLDD-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)c1cccc(C)c1C	308005657	CLARMGDUGREVIF-NVXWUHKLSA-N	248.410	4.799	0	10	BJAE	
CC1CCC(CC2(N)CCC(C)(C)CC2)CC1	310442099	SQMJILXWXHTJBR-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1CCC(C)(C)CC1	310542726	TZRNUJJDSHAZRP-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CC1CCC(C)CC1	310995437	MABXVMAYXVJXPU-MOQPWLNLSA-N	245.410	4.520	0	10	BJAE	
CCNC[C@]1(CC(CC)CC)CCC[C@H](C)C1	317213056	AVRGRNDZYFEXGT-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(CNC2CC2)CCCC1	318035420	LCGLWFZDCSUNAG-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(CC(CC)CC)CC[C@H](C)C1	318367355	ZCNFMLGWWYCHHN-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)CC)CCCC[C@@H]1C	318819240	VCFCVOYANGQORR-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC1CCC(CNC(C)C)([C@H]2C=CCCC2)CC1	319174980	NKKLHPYZNLOCBM-CGZBRXJRSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](CCC1CCCCC1)NC	320051975	LNMJALITXUAPMW-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1ccccc1CC)[C@@H](C)[C@H](C)CC	320057358	MAZIUZSLVYZEOT-KEYYUXOJSA-N	247.426	4.582	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCC[C@H](C)C1)C1CCC1	322864298	UVCUWOJSJOYCRU-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CC1(C(=O)CC/C=C/c2ccccc2)CCCC1	324214230	XYTGWCURCFFWLP-VZUCSPMQSA-N	242.362	4.629	0	10	BJAE	
Cc1cc(O[C@@H](C)CC(C)C)c(C(C)C)cc1N	382147189	UHPDTEIVNLIHFZ-ZDUSSCGKSA-N	249.398	4.514	0	10	BJAE	
CC(C)CCCCC[C@H](C)CCNCC(C)C	383117547	BEGUOJIGKMUCCE-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1csc2ccccc12	383120633	FXFHYXNODVGRNS-NHYWBVRUSA-N	247.407	4.727	0	10	BJAE	
CCC1CCC(c2nc3cccc(C)c3[nH]2)CC1	385491859	IJSHPZDFVSUOQN-UHFFFAOYSA-N	242.366	4.555	0	10	BJAE	
CC(C)CCCCCC[C@@H](O)c1ccccc1	394757905	ZJAKHAGEORMXGU-MRXNPFEDSA-N	234.383	4.717	0	10	BJAE	
CCc1cc(CC)c2scc(C(F)F)c2c1	396171040	YYKSPKRHYFGQAZ-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CSc1cccc2c(F)c(C(F)F)sc12	396239214	KLUIFIFFYBNCTH-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)C[C@@H](C)CC(C)C	401310619	XCDAWTVKXMLNAL-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](C[C@H]1CC=CCC1)CC(C)(C)C1CC1	405730169	LMZGHXVAWZPWDH-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
C/C(=C\Br)c1cccc2ccccc12	606291707	SSMVQLCOPLOIMP-MDZDMXLPSA-N	247.135	4.596	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1c(C)cccc1F	691137089	JINFSRVSURICCC-DZGCQCFKSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCC1(CC)CCC1	691189580	UNFDMXSZBYJJGA-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@@H]1CC[C@H](CC)C1	692061839	RVHKCTYIKDPUPV-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCC[C@H](CO)C1CCCCC1	696828214	GTGDASRBEXPVGR-MRXNPFEDSA-N	240.431	4.782	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC(C)(C)C(C)(F)F	697072227	HJOIHYASERZNEH-NSHDSACASA-N	248.357	4.699	0	10	BJAE	
CCCNC[C@H]1CCCC[C@@H]1C(C)(CC)CC	701146136	RBUMFTBCQJNEHC-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@]1(CCC=C(C)C)CCC[C@H]1C	704569875	HPPGBKLRJXYKQX-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](NC[C@@H]1CCCC12CC2)C1CCCC1	706297823	ZLQUYANRNCPWTL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC1(N)CCC(C2CCC2)CC1	707761611	ISLWTLQNMHIBCN-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@H](C)CC(C)(C)C	708253636	GQFNPFXCLGSVEO-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](N[C@H]2CCC23CCCC3)CC(C)(C)C1	708788369	MPSMAPGPCQZEIA-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H](C)CC(C)(C)C)C1	709142701	KAQYQENBEVTUCC-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H]([C@H](C)CC(C)C)[C@H](C)[C@H](C)CC	709273911	PLQSEAZMGGFRNR-KLHDSHLOSA-N	241.463	4.719	0	10	BJAE	
Cc1cc(N[C@@H](C)CC2CCCCC2)cs1	710756397	XHVHFCNGEMYYFD-NSHDSACASA-N	237.412	4.827	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C12CCC(CC1)C2	710978668	KZCSTLUIYAXSMC-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@@H](C)C(C)(C)C)NC	711108834	LYLNCNZBNAVXQW-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
C[C@H](/C=C1\CCC[C@@H]1[C@@H]1CCCCN1)C(C)(C)C	711210254	RUKUIJPNMMWLPC-LBJCOTLMSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)CNc1ccc(C(F)F)cc1	713266949	XOROCNGTWHPQRH-UHFFFAOYSA-N	241.325	4.718	0	10	BJAE	
CCCN[C@H](CCC)CCC1CC2(CCC2)C1	717562347	MEWGXXJJPFBUKA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1CC2CCC1CC2	719265547	IVABMGMSMDPAIC-CKUJCDMFSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1CCCC1(C)C	719290671	IXZVSTDRHNHGKP-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](NC1CCC(CC)CC1)C(C)(C)C	1652489613	CVPABEJFPDSJKH-YMAMQOFZSA-N	239.447	4.760	0	10	BJAE	
Cc1ccccc1NCc1cccc(Cl)c1C	1655317482	USILJJMBWCYQCG-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CCC[C@@H](C)CCNC(CC(C)C)CC(C)C	1665555757	HYYIEMZZXQNDIF-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CCC1(O)CC(CC)(CC)C1	1900696595	LOOOTFVMBLBTGQ-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCC(C)=CCC(=O)c1ccc(C)c(Cl)c1	1900882435	KJHIXXBDCYCLRV-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCC[C@H](C)CC1	1900899580	CEKHAJYSAMCVJY-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@@H](C)[C@H](C)C(C)C	1901726156	CFTFFRUUMMAQDK-ILXRZTDVSA-N	227.436	4.568	0	10	BJAE	
Cc1sccc1-c1ccc2ccccc2c1	1901898914	NVVQOWCCUNCCBH-UHFFFAOYSA-N	224.328	4.877	0	10	BJAE	
CC(C)[C@H](C)C(=O)CCCC1=CCCCC1	1901961984	HSBVOJKOHJBYTF-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@H](C[C@@H](C)CC)NCC	1905435322	QCPIIPGLOLMUDW-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)C1(C)CCCC1	1905449107	ZUJNAUUKRVCGQM-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC(=CCCNCC(C)C)CCCC(C)(C)C	1911533518	TVUIFPWATJQSTC-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
C1CCC2(CC1)CC[C@H](NCCCCC1CC1)C2	1915875123	URZQSYIOJJEEPA-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCCCC[C@@](C)(O)c1cc(C)c(C)cc1C	1919974849	RCJGICCPIJEDGC-QGZVFWFLSA-N	248.410	4.790	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC[C@H]1CC1(C)C	1921417261	MWBWPOJQPYZYPR-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCCn1ccnc1C1CCCC1	1923562372	LCYPSXVHUNLONR-UHFFFAOYSA-N	248.414	4.757	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H](C)C1CCCC1	1924091151	FQXJPYPSAXEMCM-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cscc2N)cc1	1925106318	VTYSLLUHZSQFDM-SNVBAGLBSA-N	231.364	4.511	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@@H]1C=CCCCC1	1925761734	VLENKICWGBTVQI-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
O=C1[C@H]2CCCC[C@H]2C[C@H]1C[C@@H]1C=CCCCC1	1925764418	ZCUVUELOFFHHPA-QXSJWSMHSA-N	246.394	4.518	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CCCC[C@@H]1C(C)C	1941357265	GQVTWJPJSBYAJA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CCCC1CCC1	1941470539	RPHXDHHTYYVERP-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)(CC)NCC1C[C@@H](C)C[C@H](C)C1	1943042030	UKDXDKJFPFMTHG-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NC)[C@@]12CCCC[C@H]1CCC2	1944136300	MZNNMNSKCILLHD-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C(CC)CC)C(C)(C)C1CCCC1	1944646873	POVCQSSLAMWTEV-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CC[C@H](C)[C@@H]1C(C)C	1947525115	OGDXFPJXYFDXPR-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CCCCCC(C)C	1947527982	XSFXIXAALYTAHT-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)CC1CCC=CCC1	1948334081	WQZJPSVLNOUHCQ-HOCLYGCPSA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@@](C)(N)CC(C)(C)C(F)(F)CC	1949025764	CJTGWBRKCSYCSO-CYBMUJFWSA-N	249.389	4.746	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCC23CCC3)cc1	1949323355	ZKWKBMLKCJDKHS-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
Cc1cc(S[C@@H](C)c2ccccc2)ccc1O	1949789695	ZTXLDIXZEJPXBT-LBPRGKRZSA-N	244.359	4.554	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCCC[C@@H]1C)C(C)(C)C	1949829847	DHSKRPZXECVBQW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(C[C@@H](C)C(C)(C)C)CC1	1950925105	QFRBLEGERUKRGZ-IIAWOOMASA-N	239.447	4.604	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@@H]1CCC[C@@H](C)CC1	1950929138	DVXZYARNWXIEST-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(C(C)(C)C2(N)CC2)CC1	1952001161	IBMWWDRYGQEEMF-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(N[C@H]2CCCC3(CCCC3)C2)CC1	1967856610	VSTTXNHMBOSKST-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CC[C@H](CNc2ccc(C3CCC3)cc2)C1	1969958341	GTRRAHFLDPYZPY-KBPBESRZSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H](C)[C@@H](C)NCc1ccccc1C(C)(C)C	1970321008	DUSKXFHNZWWZSS-ZIAGYGMSSA-N	247.426	4.508	0	10	BJAE	
C[C@H](NC1CCC2(CCCC2)CC1)C1(C)CCC1	1970539167	YNJJOVVOVLINOT-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc(F)c(CC)c1	1971991120	LNTCPEMIDVFOBT-CJNGLKHVSA-N	249.373	4.769	0	10	BJAE	
C[C@H](NC[C@@H]1CCCCC12CCC2)C1(C)CCC1	1973672982	OCPGRKFSFMEIMG-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC)CCC[C@@H](C)C(C)C	1988309571	MCZJQWHULDTVHG-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C(C)=C(C)C	1989666324	RQRXYMYKYCVIAD-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)[C@@H](C)C(C)(C)C	1993482752	KNZBUKTVOVMEGV-SNVBAGLBSA-N	238.758	4.513	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H](C)C1CC1	1995215398	VICLKYLDKHZYPZ-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC1(CC)CC1	1995263280	RACHXCKXWHCDMS-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCCCCN1CCCCCC1CC1	1995784800	ZIWJKEOIJPZTEB-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CCCC=CCN[C@H](C)C1CCC(C)(C)CC1	1996546490	KRLKSDHHXUINLT-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCC2(CCC2)C1	1997044424	YWLRYFGNAKXOOE-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CCC[C@H](C)CC1	1997115718	IEBNMBAMYYMBPX-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C(=O)[C@]2(C)CC=CCC2)c(Cl)c1	1997610565	GWDOJDVCJOHTOD-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1CCC=CCCC1	1999987644	IBHNROZGPYUCBZ-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](O)C2CCCCCC2)C1	2000028116	PNDDBWPKWOSFAX-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)C2(C)CCCCCC2)C1	2000211952	QRTMPVLGMBCSMA-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC1(CC2(CO)CCCCCC2)CCCCC1	2000658493	DXYKZECDWDWNNM-UHFFFAOYSA-N	238.415	4.680	0	10	BJAE	
CCC1CC([C@](O)(CC)CC2CCCCC2)C1	2002313644	YUUMPUDGZSHUEK-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
C=CC=CCCC[C@@H](NC)c1cccc(Cl)c1	2003684479	VJDNOACHCUCTOZ-OAHLLOKOSA-N	249.785	4.513	0	10	BJAE	
CCC1(C)CCC(O)(C[C@@H](C)C(C)(C)C)CC1	2004352316	LDYOPKSKKORFNV-IUDNXUCKSA-N	240.431	4.780	0	10	BJAE	
CSc1cccc(N[C@@H]2CCCCC23CC3)c1	2005529148	MLYKIWRDBYXUFS-CQSZACIVSA-N	247.407	4.543	0	10	BJAE	
CCC1CC(CC(N)(CC(C)C)CC(C)C)C1	2007750826	XIPGLYREFUDJNP-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C1=CC[C@H](C)CC1	2010613467	SIPWWAFRVSAAJR-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC1=CC[C@H](C(C)(C)C)CC1)NC	2010765925	QSGXUNPMMHFDCM-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](C)NC1CC(=C2CCC2)C1	2010820011	KXTMBLFDMRTMTH-ZDUSSCGKSA-N	235.415	4.578	0	10	BJAE	
C=C=CCCC[C@H](NCC)c1ccccc1Cl	2010994584	HOUMAXCDTXMRQR-HNNXBMFYSA-N	249.785	4.502	0	10	BJAE	
C[C@H](C[C@@H]1C[C@H](N)CC(C)(C)C1)CC(C)(C)C	2012041225	IYKKRMQVCUVMSE-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
Cc1csc(C(=O)CC23CCC(CC2)CC3)c1	2012798341	UQIQEBOPHBHPOO-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC1CC(C(C)C)C1	2013272040	XZYYROMONUCEGV-GPANFISMSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)C)C1(CCC)CC1	2015290692	MJXZPQJEMJRSPK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1(C[C@@H](O)CCC2CCC2)CCC1	2017112578	PKIPXCZSFOOOLM-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CC1(C(C)C)CCC1	2017114318	KOCGVYOZPUNINM-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](C)(CNCCC)CC(F)=C(C)C	2017463129	HSPZGNYBVRCIOG-OAHLLOKOSA-N	243.410	4.836	0	10	BJAE	
CC(C)C(C)(C)CN[C@@]1(C)CCCC(C)(C)C1	2017621969	FFSJTONIECGRLB-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)CC2(C)CCC2)CC1	2017663593	WBPNSDLEMFFIGO-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@H]2CCCCC[C@H]2O)CC1	2017712512	PKJNPHQEGSNPRC-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@H]2CCCC[C@@H]2O)CC1	2017718611	DASPIYJYEVXHPX-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CCC(C)(C)CNC)CC1	2017732505	BKUMCYJKAVNEGM-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC1CCC(C(=O)C[C@H]2CC[C@H](C)CC2)CC1	2017773577	CGPFHKPCTPUKIQ-NZFPVTAUSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2C[C@@H](C)CCC2=O)CC1	2017775938	IPCDBWZOPRUIAF-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2C=CCCC2)CC1	2017776603	RABMPLOAGKIAAS-YMAMQOFZSA-N	234.383	4.518	0	10	BJAE	
CCCC1(C[C@@H](O)CCC2CCCCC2)CC1	2018965567	SAAUKWIEBJNRNU-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@@H](C)C(C)(C)CC	2019199282	KJBWHLUUYHFPQP-RRFJBIMHSA-N	239.447	4.712	0	10	BJAE	
CN[C@H]1[C@H](CCC(C)=C(C)C)CCCC1(C)C	2020360453	GGWXCRZWULRUTN-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CCC2CCCCC2)[C@@H]1O	2020407751	KCYOSODDPMGNDQ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1ccccc1SCC	2022492108	HEZOKCLNFPSGAW-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@@H]1CC=C1CCC1	2023244243	CYGAUGIRJWWEOO-HZPDHXFCSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CCCCC(C)(F)F)C1	2023331276	JNXXMEHPPUTGKC-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
Cc1ccc(OCCCCC(C)(F)F)cc1C	2023346179	PFLOUUVVJIOFBD-UHFFFAOYSA-N	242.309	4.508	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)C2CCCCC2)C1	2024093301	AIDBCOITVCDAFH-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@@H]1CCCC(C)(C)C1	2024102934	XGGDUQFYGWRDCV-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CC[C@H](F)C1	2026079768	ONCGGRKVNJXURS-MJBXVCDLSA-N	242.378	4.690	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@@H]1CC12CCC2	2026171154	UNXBUELOYCGOEC-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@@H]2CC[C@H]3CCCC[C@H]3N2)CCCCC1	2027310133	XVDHUHBQGOBVHJ-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)CCC2(C)CC2)cc1	2027725954	MRICAAKHHOUTAV-BBRMVZONSA-N	246.394	4.814	0	10	BJAE	
Cc1ccc(OC2CCC(C(C)(C)C)CC2)cc1	2028128304	UBUHMWLQPCKJIY-UHFFFAOYSA-N	246.394	4.979	0	10	BJAE	
Cc1ccc(C)c([C@H](N)[C@H](CC(C)C)C(C)C)c1	2028261328	GYYWNTLZKXQIBK-NVXWUHKLSA-N	247.426	4.622	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1cccc(C2CC2)c1	2028549102	KARAXEIDFZVZMR-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)c1ccccc1C1CC1	2028615359	UKLAWNAHQLYWSF-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CC1(C)C[C@]1(CCCCCC1CC1)CNC1CC1	2028627160	AMOFJHRIOUELGN-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC(NCCCCCC1CC1)(C1CC1)C1CC1	2028629810	CXDXEWXXFMGBGS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)CC1CCC=CCC1	2028872866	OCCYWHDHVIXZQY-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
C1CCCC(CNC2CC3(CCCCC3)C2)CC1	2028879808	AAGJJGXXAUWAPA-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](CC2CCC=CCC2)NC)C1	2028897926	QGXBLEAWIUNVRZ-PVAVHDDUSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)C(C)(C)C(C)C	2032344926	XIVFGQPDJSMQJT-INIZCTEOSA-N	247.426	4.753	0	10	BJAE	
C[C@H]1CCCC[C@H]1NC1(C2CCCCC2)CCC1	2033056857	KLXSOIPRKXDMHV-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2033817286	ZDCJWMDWVWGPMW-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC2(CCCC2)C1)[C@@H]1C[C@H]1C	2034363528	NJRMVWDJWYEWLG-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)c1ccc(C(C)C)cc1	2035501606	YKNVHMWVVKWRNR-DOTOQJQBSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@H](CCCC1CC1)c1c(C)coc1C	2035531068	CQMAYIXPAHSGGO-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2C[C@@H]3CCCC[C@@]3(C)C2)C1	2036659286	BCGKUMNRLCUXMU-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1ccccc1C1CC1	2037138262	GPLUHPDXTZBLIV-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1ccc(CC(C)C)cc1	2037216536	KBRTXSBKFWVPDM-MRXNPFEDSA-N	247.426	4.711	0	10	BJAE	
CC(C)(C[C@H](N)[C@@H]1CCC2(CCCC2)C1)C1CC1	2037706978	ZMJJRZMQLJKZIV-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@@H]1CCC[C@@H](C)CC1	2039370681	RMNPLPIQEUZVKG-FMKPAKJESA-N	249.398	4.537	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)C2(C)CCCCC2)c1	2039861660	HOMLXKTXODBSEZ-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2C=CCCC2)CC1	2041375496	IPFFWRSAOIJKGE-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
CCCNC[C@@]1(C[C@H](C)C2CCC2)CC=CCC1	2042094601	RLIWRZSEJOWVCG-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@H](N)c2ccccc2)C1	2045515570	CKAHPCGPFJLYJQ-ZBFHGGJFSA-N	245.410	4.683	0	10	BJAE	
CN[C@H](CCCC1CC1)c1cccc(C(C)C)c1	2045719346	RASPEUMUBYYJSZ-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCC1)C1(C(C)C)CCC1	2045793418	HWICZWGEZAJMKG-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@](CC)(CN)CC=Cc1ccccc1	2045981190	VZPQKLXWSXOGSR-QGZVFWFLSA-N	245.410	4.635	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)[C@H]1C=CCCC1	2045981570	NXIHKJGWLQEYTK-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCN(c1cccc(C)c1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2046567441	DNJOTBCPPXBLLN-QLPKVWCKSA-N	245.410	4.646	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@H]1CC12CCCC2	2047016507	PGZJBLUKVPPPDC-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCCCN1C[C@H]1CC12CCCCC2	2047027970	WHGMQHZFGLIJPD-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
O=C(CC[C@@H]1CC12CCCCC2)CC1CCCC1	2047028502	YWAAKOMNLIYFOB-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC(C)C[C@H]1CC[C@@]1(N)CC1CCC2(CC1)CC2	2049863585	ZWBNJUHLENHQEX-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@H]2CCC3(CC3)C2)CC1	2049867241	TVKAHZPQGPBBQS-KNIAUWFNSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCC(C)CC1)[C@@]1(C)C=CCC1	2050009483	YMBSGIPVXMREDW-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC2=CCCCC2)cc1	2050429974	JHTBBYKYBUAIQY-KRWDZBQOSA-N	243.394	4.666	0	10	BJAE	
Cc1ccc([C@H](O)CCCC(C)(C)C2CC2)cc1	2050432566	WPYLQFJXAWEIFN-MRXNPFEDSA-N	246.394	4.635	0	10	BJAE	
Cc1cccc([C@@H](N)C[C@H]2CCCC(C)(C)C2)c1	2050457408	BVAFPNLWORLBSW-ZBFHGGJFSA-N	245.410	4.601	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CCCC[C@H]2C2CCCC2)C1	2051678083	NOZWZWGLQUTXOT-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CC1CCC(C)([C@@H](N)C[C@H]2CCC3(CC3)C2)CC1	2056560123	YXCCWNQWFIUJGR-FYRZTWFESA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@]1(O)CC[C@@H](C)c2ccccc21	2059221619	PLYHRESNOHZMAN-RHSMWYFYSA-N	244.378	4.518	0	10	BJAE	
C/C=C/CCC[C@@H](O)[C@@H](c1ccccc1)C(C)C	2059224579	CILAGEVQHBPOOS-ADDHZHGLSA-N	246.394	4.534	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1ccc(C)c(F)c1	2059249021	DINVEPOIFBBTMM-NBUZRDOWSA-N	249.373	4.531	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1CC[C@@H]2C[C@H]2CC1	2059251884	COQHTACPZXHUAS-IXVCQNTISA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCC)C1CC[C@H]2C[C@@H]2CC1	2059251885	COQHTACPZXHUAS-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(C(F)(F)F)cc(C)c1C(F)F	2060351968	XVTJBHWHKJPOAI-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC(C)CC1([C@@H](N)C2=CC[C@@H](C)CC2)CCCC1	2060921917	ODKVIPGVJAJTMY-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@@H]1C[C@@H](C)CC[C@H]1CNC(C)(C)C	2061561367	RCCJCUQIRSDART-XHSDSOJGSA-N	249.442	4.548	0	10	BJAE	
CCCC1CCC(N)(CC2CC(=C3CC3)C2)CC1	2061736785	KJEJUPQTSXTYKM-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@H](N[C@H]1CCCCCC12CC2)C1CCC1	2062017628	ALWJSWTWEOZYDB-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCCCCC23CC3)C1	2062017985	QLNOJKJLNWTBKI-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1C[C@H]1CCCN1CCCC12CCCCCC2	2062630084	JVJVOGOLDHLSEC-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@H](CCC[C@@H]2C[C@H]2C)c2ccccc2N1	2062644134	YYXGBPNELIQYGP-TUVASFSCSA-N	243.394	4.801	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)CC1CC2(C1)CC(C)(C)C2	2063209004	RJJDDTIPVGJTIA-JSGCOSHPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(CC(C[C@@H](N)C3(C)CCCC3)C2)C1	2063209890	YRSMTACIBCKYNM-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2cccc(C3CCC3)c2)N1	2066376806	ZARVYAZOLNVGNP-IRXDYDNUSA-N	243.394	4.547	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)[C@H]2CCC2(C)C)cc1	2068289288	GFXXTGRCJWYRGQ-IUODEOHRSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068718981	KXAGAMWYJAELNS-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CC(=O)c2cc(C)ccc2C)CCC1	2069283586	STUDTCKGEDXFNA-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CCCC1(C[C@@H](C)[C@@H](O)c2ccccc2)CCC1	2069330573	JPZSTGIVDOEOOY-GDBMZVCRSA-N	246.394	4.717	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2CCC3CC2C3)CC1	2069355132	ZBJAOWMYSVDCON-LKRQVQDUSA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@@H](C)[C@H]1CCCC(C)(C)C1)C1CC=CC1	2070811320	QLYVBOYTEUBWCJ-DZKIICNBSA-N	249.442	4.536	0	10	BJAE	
CC(C)NCC1(C[C@@]23CCC[C@@H]2C3)CCCCC1	2070961804	FSHWWDCHJOMBBX-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCN1CCC[C@@H]1C1CCCCCC1	2071969400	RJTNCHDFKNIYAP-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
CCCC1CCC(C[C@@H](N)c2cocc2C)CC1	2072794924	YVBRQCPKGIYGHZ-ZBCRRDGASA-N	249.398	4.584	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@H]2C=CCCCC2)C1	2075407881	KSLGZNFCIMYMPV-RRFJBIMHSA-N	248.410	4.764	0	10	BJAE	
CC[C@H]1CC[C@H](CN(C)[C@@H]2C=CCCCC2)CC1	2075410986	ZMRMESKIVAVYJG-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CCN(C1CCCCCC1)[C@H]1C=CCCCCC1	2076549728	XRRKEBNITAGRGG-INIZCTEOSA-N	249.442	4.920	0	10	BJAE	
CCCCCc1ccc(-c2ccc(C)c(N)c2)o1	2077975030	FTVBZENDEWYOLO-UHFFFAOYSA-N	243.350	4.570	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@@H]2C2CCCCCC2)CCC1	2079817483	DRGBEBJTNGCTSN-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC1(N)CCC2(CCCC2)CC1	2079870698	NHYUELCCBCQDCS-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC(=O)CC23CCC(CC2)CC3)C1	2085002263	WJRLGMIROSMTCS-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC(O)(CC)CCC1C[C@H]2CCC[C@H](C1)C2	2213293946	GJPFINMZVZNJJK-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
FC(F)(F)C1CC(C/C=C/c2ccccc2)C1	2213824058	BAKFWPLPYJJWPF-QPJJXVBHSA-N	240.268	4.678	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CC)C[C@H](C)CC	2215245837	FHSRNLPDGZCWQL-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC1(O)CCC(C)(CC)CC1	2215247060	FNTJRLTURFNZNM-WXLSXGNJSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)c1ccc(OCC[C@H]2C[C@@H]2C)cc1	2215329490	DDEOXFJTDMTWDO-YDHLFZDLSA-N	232.367	4.625	0	10	BJAE	
CCCCCN(CC1(C)CC(C)(C)C1)C(C)C	2215439109	CKZGGWCSOBMGPA-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)(CNC1CCC1)C[C@@H](C)C(C)C	2217142791	RTJLYEQBQKSJGV-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CCC1CCCC1)C1C[C@H]2CCC[C@H](C1)C2	2218346700	QUVMKCZFWQLXLT-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C(=Cc1ccccc1)C[C@H]1C[C@H]1c1ccccc1	2219078341	MJWRBWFRGPUEES-ROUUACIJSA-N	234.342	4.894	0	10	BJAE	
CC[C@@](N)(C/C=C/c1ccccc1)CCC(C)C	2219091665	ROCLQHXIORKHRV-VGMNTSGFSA-N	245.410	4.634	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC[C@@H]2CC[C@H]2C)cc1	2220601118	VIQFKZPRDONPMY-KEYYUXOJSA-N	245.410	4.507	0	10	BJAE	
FC1CC(CCNc2cccc(C3CCC3)c2)C1	2220657365	RTRPENMULWLCMZ-UHFFFAOYSA-N	247.357	4.504	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)c1ccc(C(C)C)cc1	2220960936	OKTUPVFZAFGBQK-CJNGLKHVSA-N	244.378	4.819	0	10	BJAE	
CC[C@H]1CC[C@](CN)(CC2(C)CC3(CCC3)C2)C1	2221028449	PZVKBDDBXFEAAO-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC1=CC[C@@](C)(Nc2cccc(C(C)C)n2)CC1	2221608258	XNKBVESECXBZRG-MRXNPFEDSA-N	244.382	4.506	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)[C@@H]1CCCCC1(C)C	2221992483	FKQFBUFTTAEMIX-GOEBONIOSA-N	246.394	4.553	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C1(C)CCC(C)CC1	2222005275	HERPPINVCVGKGT-PTXATLKXSA-N	245.410	4.520	0	10	BJAE	
CC[C@H](C[C@H](O)c1c(C)cccc1C)C(C)(C)C	2222011503	MRRINEOYRIHHQO-CABCVRRESA-N	248.410	4.799	0	10	BJAE	
C1CCC(C[C@@H](CNC2CCC2)C2CCCC2)C1	2223542748	SZGNPEYOXDXQOY-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](c1ccccc1)[C@H](O)C[C@H](C)CC(C)(C)C	2224170630	PLFLORUSLSXSGO-OFQRWUPVSA-N	248.410	4.613	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC1(C)CC(C)C1	2246524921	NHVNVGABHQOMOE-GYTBAZASSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC(=O)CC[C@@H]1CCC[C@@H](C)C1	2246679371	NWYNLZHFRDQJLN-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCC1([C@H](N)CC[C@H]2CCC[C@H](C)C2)CC1	2246728725	TYHZSUHSDBFNHL-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)CN(C)CCCC[C@H]1C[C@H]1C	2247175472	JKBZKRUJIWJLJG-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CCCC(CCC)[C@@H](CC1=CCCCC1)NC	2247498666	DDUHDJAITUAMMR-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@](C)(CN)CC[C@@H]1CCCC12CC2	2247586170	LYNGAYMUPQMHLL-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CCCC1(CNC(C(C)(C)C)C(C)(C)C)CC1	2247718617	VANASOIBUIDAEV-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)c1csc(C2CC2)c1	2248074488	POFBHHGXDFJQMH-GFCCVEGCSA-N	248.391	4.635	0	10	BJAE	
CC1(CCCC(=O)c2csc(C3CC3)c2)CC1	2248074959	VPENSBNWVGVUQB-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
Cc1sc(C)c(C(=O)[C@]2(C)CC=CCC2)c1C	2248281185	SKZGVXDOINNAOV-OAHLLOKOSA-N	248.391	4.602	0	10	BJAE	
CCC[C@@](N)(CC)c1cc(C)c2sccc2c1	2248579596	RPXBSAAPIMHEOL-HNNXBMFYSA-N	247.407	4.574	0	10	BJAE	
FC(F)[C@@H]1CCC[C@@H]1CCC1CC(=C2CC2)C1	2249193784	NRIYUWQKBUQKNB-TZMCWYRMSA-N	240.337	4.948	0	10	BJAE	
Cc1cc(NC2CCC=CCC2)c(C)cc1Cl	2249285821	HBWMPLUJIPMQES-UHFFFAOYSA-N	249.785	4.868	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(CO)C1CC1	2250517603	DIPCSVBYNJXDHO-GOEBONIOSA-N	240.431	4.638	0	10	BJAE	
CC1CC(C)(C[C@]2(N)CCC[C@@H]3CCCC[C@H]32)C1	2253653229	CFHVOIYMSOSJRH-MNSQOIKPSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CC[C@@H]2CN[C@H]3CCCC[C@H]3C2)CC1	2253813202	GXCCGDNTWLFVAC-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1CC2(CCCC2)C1)C1CCCCCC1	2254112583	KMEIAFKPLQPKFS-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC1CC2(C1)CC(N)(CC1CCC(C)(C)CC1)C2	2254146026	IFGTYMVOZDAWJZ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@H]1CCCC12CC2)C1CCCCC1	2255223147	BVPUDBGDBZRBPC-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCNCC1(CCCCC[C@H]2C[C@@H]2C)CC=CC1	2257278869	AKKIXLAJKMXOJL-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc(C(=O)CCCCC[C@@H]2C[C@H]2C)o1	2257363490	YPAQIUZDMKDKMS-CHWSQXEVSA-N	248.366	4.631	0	10	BJAE	
Cc1cc(NCC2(C)CC(C)(C)C2)cc(C)c1C	2258232050	XCRWWUQWAWHTAW-UHFFFAOYSA-N	245.410	4.850	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cccc2ccccc12	2259444724	QQSQIRIBPOCNHS-DYVFJYSZSA-N	241.378	4.666	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1ccc(C2(C)CC2)cc1	2259446931	IVOGGGYJSMSJHS-BBRMVZONSA-N	246.394	4.598	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccccc1C1CCC1	2259450214	YZHGTPLIILMWBL-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CCC1CCC(CC(=O)[C@@]23CCC[C@H]2CC3)CC1	2260513059	RRAIWIBWMZRMNJ-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@]12CCC[C@@H]1CC2	2260675404	YBXXRHSAVVHUCG-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](c1cccc(C2CCCC2)c1)C(C)C	2260676127	VQNTXZLPAAKACM-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CCCCNCC2)C1	2261297178	XBIMFTHRFCZCJN-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H]1CCNc2ccc(F)cc21	2261337526	GNYWWPZVJUJXPW-VXGBXAGGSA-N	247.357	4.551	0	10	BJAE	
CCN[C@@H]([C@@H](C)CC1CCC1)C(C)(CC)CC	2298872166	XUAAOBCHVITCNX-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCC1)n1ccc2ccc(F)cc21	2298873305	IRJHLEMYNNRQGN-LLVKDONJSA-N	231.314	4.532	0	10	BJAE	
CCCC[C@@](C)(O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301136022	RUMWZLBOVIHSLR-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1CCCCCC1	2301148626	XJIREVKTEXWJSG-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC(C)=CCCc1ccc(F)cc1C1CC1	2301285609	RNFXEMJKAYLJHK-UHFFFAOYSA-N	232.342	4.992	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H]1CCCCCCC[C@@H]1O	2301856271	IHHPJJZEPUYENU-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CC(C)(C)[C@@H]1C)CC(C)(C)C	2302165016	XBTACBPULVQDLL-JHJVBQTASA-N	238.415	4.700	0	10	BJAE	
CCc1cscc1N[C@H](C)[C@]12CCCC[C@H]1C2	2302888744	BVNYTCAFRCRJNF-OSAQELSMSA-N	249.423	4.691	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@@H]1CC[C@H]1C1CC1	2303010703	FUDQYOTVEKQYLR-HOCLYGCPSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC1(N)CCCCCC1	2303476218	FDCJRNGRDFRZAX-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@H]1CCC(C)=C(C)C1	2303516167	MXUIPCWFVWBOME-JKSUJKDBSA-N	237.431	4.668	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2C=CCCC2)C1	2304434104	HMPMOTZLUKTCDF-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@@H](CC)C1CCCC1	2307746220	CALSAVQRMKKTAG-ZBFHGGJFSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCC(C)(C)CC1	2307880156	VGIGMJVQZBVLJI-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)C1CC(CC)C1	2307905467	XFMJLFBTBYVWFA-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCC[C@@H](NCC)C1	2307908253	OULUPBKOWVZHPB-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CC[C@@]2(C)C[C@@H]12	2310539209	BLUMZHGJUSGKLU-QZWWFDLISA-N	249.442	4.514	0	10	BJAE	
CCC1([C@@H](C[C@@]23CCCC[C@@H]2C3)NC)CCCC1	2311144758	OIJJFNUOJQBPKI-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@@H]1C)[C@@]1(C)CC=C(C)CC1	2312520729	CULQLBDTCVWVMW-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(C(=O)CC2CCCCC2)ccc1C	2314697927	UGUHUIZJUTXCCF-UHFFFAOYSA-N	244.378	4.711	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@H]2C[C@@H]1C2	2315883925	SSYJEHAEZPESSN-VNQPRFMTSA-N	243.394	4.719	0	10	BJAE	
CCC(CC)CCC(=O)[C@H](CC)c1ccccc1	2316242106	AJJUVTXBDMHZDC-MRXNPFEDSA-N	246.394	4.966	0	10	BJAE	
C1CCCC(CN2CC[C@@H]2C2CCCCC2)CC1	2316875791	QVPXCKSNPOFMRV-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
O=C(CCC1=CCCCC1)CC[C@]12CCC[C@@H]1C2	2317936089	JSXQQLCONRFBKX-WBVHZDCISA-N	246.394	4.807	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@H](C)[C@@H](C)C(C)C)N2	2317949942	DJTMQNNLZCTBDJ-SQWLQELKSA-N	245.410	4.650	0	10	BJAE	
CCCCCCc1cc(C(=O)O)cc(C(C)C)c1	2318387785	SCLNJBZLIBCRCB-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
O=C(CCCCC1CC1)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2318882508	ZIZFEBVNANAOAD-JYJNAYRXSA-N	246.394	4.518	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1C[C@H]2CCCC[C@H]2CN1	2319869997	IWRLXKGWHJRHON-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(C2CCCC2)CCC(C)=C(C)C1	2320269597	CIBONOTWUGMZGY-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2C[C@@H]3CCC[C@H]32)C1	2321637453	SHTRNCYWDHDQED-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](NCC)c1cc(C)ccc1C(C)C	2327682736	RXOJIRVITBCSHB-QGZVFWFLSA-N	247.426	4.959	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@@H](C)C(C)(C)C)c1	2327699565	QHWZJKCBWWXTRN-CJNGLKHVSA-N	247.426	4.800	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)CCCC(C)C	21008764	LEPBSWMUPVAJLK-GJZGRUSLSA-N	227.436	4.760	0	10	BJAE	
CCc1ccc(N[C@H](CC)c2cccs2)cc1	21009888	FIZOJPZYXSQVBV-CQSZACIVSA-N	245.391	4.874	0	10	BJAE	
CCCCCc1ccc(CCCCC)o1	34612302	CPUKFZVCDPDZGD-UHFFFAOYSA-N	208.345	4.745	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cccc(Cl)c2C)C1	70747782	IPNPEIRPYUOXBL-NEPJUHHUSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccccc1C	71126047	BFRSNLCQNQVSFL-CQSZACIVSA-N	219.372	4.623	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1CCC(C)(C)CC1	83778566	JQASFODXKTTXBJ-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCCc1ccc(N[C@@H](CC)C2CC2)cc1	86116120	NHPMUEVDCVIRDF-INIZCTEOSA-N	231.383	4.630	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCCC1(C)C	86843074	JQQDEOVJMHOVIB-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCC[C@H](C)CC2)c1	86879100	CKUMKQIAPJRVCN-WFASDCNBSA-N	231.383	4.684	0	10	BJAE	
CCCCCC[C@]1(N)CCC[C@@H](C(C)C)CC1	86940411	TWEQPEHZXMYKQX-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CCCC1CCC(C(=O)C(CC)CC)CC1	87169325	QXBMRVWUMBFOBS-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC1CCC([C@H](N)c2ccc(C)c(C)c2)CC1	87934353	MUTJWLXISCIJDT-DQPZFDDXSA-N	245.410	4.520	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)C1CCC(C(C)C)CC1	87962123	BBHLFMHDOJIHHT-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@H]2CCC[C@H](C)C2)cc1	109733640	HKFQOKNQCMBIIS-RRQGHBQHSA-N	245.410	4.636	0	10	BJAE	
CCC1CCC(Oc2ccc3[nH]ccc3c2)CC1	126528198	NXHOHNGHVDLWDF-UHFFFAOYSA-N	243.350	4.516	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2nc(C3CC3)cs2)C1	132007131	HDXVKBVICAKVGX-PWSUYJOCSA-N	235.396	4.704	0	10	BJAE	
CCCc1csc([C@H]2CCC[C@@H](CC)C2)n1	132081036	JLJZWRABXGUWCA-NEPJUHHUSA-N	237.412	4.779	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@H](C)C(C)(C)C)c1	164144590	QVFADSXWHYTVJZ-ZDUSSCGKSA-N	232.367	4.558	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CCC[C@@H](C)C2)c(C)c1	166266737	DGSZBLSKGRKHFT-IAQYHMDHSA-N	244.378	4.621	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc(C(C)(C)CC)cc1	167196957	ROKGCPRIMOSZCS-ZDUSSCGKSA-N	246.394	4.993	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@@H](CC)C1	226931610	NJLBIZMBLLEBOM-ARFHVFGLSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@]1(O)CCCC[C@@H]1CC	227029157	GRKAUTMUPZSSSR-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@]2(N)CCC[C@H](C3CC3)C2)C1	227175852	VIVGWWQKJWGTPM-QSPRXWTASA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)Nc1cc(F)cc(Cl)c1	229990975	OUYOFHUNXYIAAJ-LBPRGKRZSA-N	243.753	4.860	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC2(C)CCC2)CC1	233305429	UJAWZQAOIUBQKI-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CN[C@H]2CCCCC2(C)C)C1	300077651	FDRPCTVYXFFABE-IMJJTQAJSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(=O)CCC1CCCC1)C(C)(C)C	300752438	LOFCRSTYDFWWLD-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)([C@H]2C[C@H]3CC[C@H]2C3)CC1	302410218	PTKCDJBEZTWLPO-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1NC[C@@H](C)CC(C)C	302459878	YIUDJOWXGQSBCC-AWEZNQCLSA-N	233.399	4.733	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H](C)CCC(C)(C)C	304329226	DECACWBPWZZUNP-ZIAGYGMSSA-N	227.436	4.616	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CC(C)C)CC(C)C	305966440	PFKYHVSHLZTWKD-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H](CC)C2)cc1C	310068018	IRRQBRHLSDGDOV-XJKSGUPXSA-N	231.383	4.548	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H](C)C2CCCCC2)C1	310464396	GEJLBXCFLXXTLY-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H]1CCCCC12CCCC2	310775815	QILWTRNOTAWZQX-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1CCCCC12CCCC2	310904104	WTWWDZLGCWMUPR-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@@H](C)[C@H](C)c1ccccc1C(C)C	310978337	SPJXYUOMLHZBPM-CABCVRRESA-N	247.426	4.549	0	10	BJAE	
C[C@H](CC(=O)C1[C@@H]2CCCC[C@@H]12)C1CCCCC1	311078427	NVYXUVMODRHWMB-BPLDGKMQSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@]1([C@H]2C=CCCC2)CCCC[C@H]1C	317893698	IKMZSOUMXKRSPU-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@@H](C)CC(C)(C)C	380862928	PSBRSNRIPFPENR-OLZOCXBDSA-N	226.404	4.700	0	10	BJAE	
CCCC1(NCCCC(C)(C)C)CCCC1	382253951	FQJYASFFTDNGLJ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](n2ccc3ccc(F)cc32)C1	382907080	VTMNVOYSJGJPFD-FZMZJTMJSA-N	231.314	4.532	0	10	BJAE	
CC(C)CCCCCC(C)(C)CCNC1CC1	383215234	QQIFJBXDANJUOP-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC1CCC(C)(C)CC1)NCC	383888992	LKOICUHRKHJNFF-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCc1ccc([C@H](N)C2(CCC)CC2)cc1	384997657	SFJSURGNWQBXSC-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccc2sccc2c1	386507417	BIWRUPOJDNYOFA-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NC/C=C\C2CC2)CC1	393593693	UOLYVJNSZIKYMM-ILNYKDOHSA-N	249.442	4.537	0	10	BJAE	
CCc1c(C(F)F)sc2c(C)cccc12	396219719	KRCLFFZIQFDFSU-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCOc1cc2cc(C(F)F)c(C)cc2s1	396241939	MFYWXNBWXQIVTD-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCCC1CCC1	398927172	PXYVUQSKHLPACW-UHFFFAOYSA-N	232.367	4.687	0	10	BJAE	
C[C@H]([C@H](N)c1ccc2ccccc2c1)C(C)(C)C	399098705	ZNFFLRWFBNOWIZ-WBMJQRKESA-N	241.378	4.522	0	10	BJAE	
CCCCc1ccc([C@H](N)[C@@H](C)C(C)(C)C)cc1	399213075	VSJRZZHZLGULEC-CZUORRHYSA-N	247.426	4.711	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C(C)(C)C1CCC1	401110599	KGLCUMVANSYSEW-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](Nc1ccccc1C(C)(C)C)C(C)(C)C	687711333	GUZZVEIXPGILSH-GFCCVEGCSA-N	233.399	4.831	0	10	BJAE	
CCCCCCC1(CNC(C)(C)C)CC=CC1	690473094	LSIUHMPRCIPGIE-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCC(C)(C)C(C)C	691096693	CDMGUGUUFVAMOA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@@H]1CCC[C@H](CC)C1	692060666	OEXBBYYGEFHNPN-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC(C)(C)CC(F)F	694691105	GLQDNIGBSUMSNJ-NSHDSACASA-N	248.357	4.699	0	10	BJAE	
CCCC(CCC)NCC1C[C@@H](C)C[C@H](C)C1	695299364	JODOVBIRQWJFCO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](CCC=C(C)C)NCC	697758015	DQJZAGJPEMODON-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CC(C)=CCC[C@@]1(CNC(C)C)CC[C@H](C)C1	698054475	OOLQCQAESVXUER-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](NCCC1(C)CC1)c1ccccc1	698059067	ACBVQKSMIMIWDZ-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](N)C(C)(C)CC	701135697	GXULJSZCUWBHOK-CWRNSKLLSA-N	247.426	4.580	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C(C)(CC)CC	701420654	SNYPMTCKNKJOME-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
CN[C@@H]1[C@H]2CCCCCC[C@@H]2C12CCCCCC2	701805884	VLHUPQURDUJCQC-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@](C)(N)C2CCCCC2)CC1	704845933	KIJBUUYFRFJPSJ-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)CC3CCC2CC3)CC1	704885461	KPQDPYXBJSWEFV-PGEKIEPBSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCC12CCCC2	705076658	GFZVYGPFDCVIEE-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C12CCC(CC1)CC2	710232524	DBHBEGPHGRSGTP-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CC(C)NC[C@](C)(C[C@H](C)C(C)(C)C)C(C)C	711172099	PIDMOGXCAYAIQM-HOCLYGCPSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CC(C)(C)C(C)C	713141183	NOOPZUVDRWDXLU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)n1ccc(CCCC(C)=C(C)C)n1	718665812	AILNYRNJTBWVPK-UHFFFAOYSA-N	248.414	4.923	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@@H]2CC2(C)C)CC1	722586224	LQVRPIKLXPWHCX-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CN[C@H](C2CCCCC2)C2CC2)CC1	723951368	NHAQBNFKKHFARB-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1(CN[C@H](C2CCCC2)C2CC2)CCCCC1	723965022	NNFYUELIMVRWCY-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C=C/C=C\CCS[C@H](C)c1ccccc1OC	1640941801	MDHYUQZGYUZNSF-CFHLNLSMSA-N	248.391	4.622	0	10	BJAE	
Cc1ccc(N(C)C[C@@H](C)C2CCCCC2)cc1	1652417497	ZUPGFHFIMMIGIA-OAHLLOKOSA-N	245.410	4.648	0	10	BJAE	
CC=CCCCN(Cc1ccccc1)[C@H](C)CC	1880242866	LTKNFZHDTPFXTG-MRXNPFEDSA-N	245.410	4.643	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCC[C@@H]1C[C@H]1C	1908551394	DZPLFQIJLNMMIW-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@@H](CCCCCC2CC2)[C@@H]1O	1910200091	QKTPLVREWNRSJX-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)C1CC2(CCCC2)C1	1912606335	GPVMNGORRVRQSC-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(C[C@@H](C)CCC)C=CCCC1	1916563921	MWRKZACIIHVEHO-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)CCC)C=CCCC1	1916563925	MWRKZACIIHVEHO-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](O)(CC)Cc1ccc(C(C)C)cc1	1919474945	MQKSCSLJTWWMDZ-QGZVFWFLSA-N	248.410	4.684	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@@H]1CC[C@H](C)[C@@H](C)C1	1919960454	OLKQAPBKPDCCBN-RFBLXINOSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)C[C@@H]1C=CCCCC1	1925918289	SIBNYZRMRMWIOB-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H](C(=O)c1ccccc1Cl)C(C)C	1936207499	WSJKLXYPMDNOLL-LLVKDONJSA-N	238.758	4.595	0	10	BJAE	
CCC1([C@H](N)CCC[C@H]2CC2(C)C)CCCC1	1940873075	BGAZMCHMXYVYIL-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)C1(N)CCC(C(C)C)CC1	1942655415	ISYZZDRHNCSNJD-FHERZECASA-N	239.447	4.602	0	10	BJAE	
C[C@@H](Nc1ccc(C2(C)CC2)cc1)C(C)(C)C	1944597603	BQGPFQJZCHQGPS-GFCCVEGCSA-N	231.383	4.585	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CCC[C@H]1C)C1CCCC1	1944834756	YZVSDBFULNFAIM-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC(C)(C)F)NCC	1947085192	WXCGPTOPEFLNDH-UONOGXRCSA-N	245.426	4.709	0	10	BJAE	
CCC(C)(C)CNC1CCCCCCCCC1	1947882108	WXRGGEVXGFDRJP-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CC1(C)CCC[C@](N)(CCC2=CCCCC2)C1	1949044721	YTQVCBVVWZINFL-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cccc(C(F)F)c1	1950094155	GAORHYGGNWIXOD-LBPRGKRZSA-N	239.309	4.615	0	10	BJAE	
CCCC[C@@H](NCCC)[C@H]1CC12CCCCC2	1950612744	NVMUBGNXHJSVMS-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)C1(CC)CCC1	1951235040	ODXWBLMFYNGVRB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC=CC[C@H](C)c1cc(C)ccc1OCCC	1951308161	ATEXUJKKIBLFCJ-AWEZNQCLSA-N	232.367	4.854	0	10	BJAE	
CC=CC[C@H](C)c1ccccc1OCC(C)C	1951308498	HWNMCQUKPBFKGR-AWEZNQCLSA-N	232.367	4.791	0	10	BJAE	
CC(C)(C)CCCN1CCCC[C@@H]1c1ccco1	1964148851	OSMBVKKWMXOMME-CQSZACIVSA-N	249.398	4.633	0	10	BJAE	
C[C@@H](NCC1CCC=CCC1)C1CCCCCC1	1966370072	VEZLPTNWQHKXAT-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCCCc1ccc(N[C@H]2CCC3CC2C3)cc1	1968294168	IQCILVOIQVBRJC-DQPZFDDXSA-N	243.394	4.630	0	10	BJAE	
CCc1cccc(OC[C@H]2CCCC3(CC3)C2)c1	1968356884	ATJCXNBIZCEPNX-HNNXBMFYSA-N	244.378	4.598	0	10	BJAE	
COc1cc(N[C@@H](C)CCCC(C)C)ccc1C	1968870369	LFSHUOPBVHDRJE-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
CC1(CN2CCC3(CCCCC3)C2)CCCCC1	1970533730	KDQTYYHKEKIBIP-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CC1(C)CCC[C@H](CNC2(C3CC3)CCCC2)C1	1970872419	ZGJCIJZHFYJZDW-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](N)CC1(CCC)CCC1	1988460925	CRGJSJXOOUTRLD-CQSZACIVSA-N	225.420	4.645	0	10	BJAE	
Cc1cc(OC2CCCCC2)c(C)cc1Cl	1989925835	FLANFQRXESOEQO-UHFFFAOYSA-N	238.758	4.668	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1cc(C)c(C)s1	1989972876	IQPGSHDPFWZKPD-LBPRGKRZSA-N	238.396	4.764	0	10	BJAE	
CC1(C)C[C@@H](Nc2ccccc2Cl)C1(C)C	1994588655	TWYMXEAXHQYAJE-GFCCVEGCSA-N	237.774	4.577	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC(C)(C)CC	1995214808	PLUFUEYVOIGGPN-ZDUSSCGKSA-N	226.404	4.988	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1(CC)CCCCC1	1995739071	UIDOOEIHZJPSTK-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CC1CCC([C@](C)(N)CC2(C)CCCC2)CC1	1996593406	GRLMUPCHWPZYDW-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C(C)(CC)CC)C1(C)CC=CC1	1997551724	BRBKKODGJNUWRC-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1[C@H](CC2(N)CCCCCCCCC2)[C@@H]1C	1998577106	MGOPGBFZRBEBEZ-QDMKHBRRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C[C@@H]1CCC=CCCC1)NC	1999994920	ZQLXSUHLUBGJQL-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C[C@H]1CCCC(C)(C)C1)NCC	2000175886	ICUVLWZDFHSUCI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](C)(CCC[C@@H]1CC1(C)C)CNCC	2000517671	GMGZUIZYRWXEAU-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCNCC1(CC2(C)CC2)CCCCCCC1	2002515366	KHQQVFHZUAUVJA-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(O)CCCC2(C)CC2)C1	2002998097	IWMJJQYLEOHGDF-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@H](NCCC(C)(C)C)[C@H]1CCCC(C)(C)C1	2003004746	HMWAXFWYVAOZMF-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@H]1CCC2(CC2)C1	2003282831	RXBQXSGVOZTPBB-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)C1(C)CCCCCCC1	2004923723	UFTFOWZPUBYPEA-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](O)(CC)CC1CC(C2CCC2)C1	2007761464	SGUQRMJZXVWMRR-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CCC2=CCCCC2)CC1	2009405543	ZZCIHHRLELHEAQ-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCC(C)(C)CC[C@@H]1NC	2009407014	KHFFDCCSQNTLAS-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCC(=O)[C@@]12CCCC[C@@H]1CCC2	2009567089	MEQATSJVXMPKNN-XHCBAJNBSA-N	234.383	4.662	0	10	BJAE	
CC=CCCCNc1cccc(C2CCC2)c1	2009597631	FWOULBMXJPPKFF-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H](C)[C@H]1CCC1(C)C	2014942122	KGXMKDJMWNSNAH-LJISPDSOSA-N	239.447	4.616	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CCC[C@@H](C)C2)CC1	2015741407	AKDFMPMVVPKDMR-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](O)CC1(C(C)(C)C)CCC1	2017117529	WEIPWKVXJWKOOA-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC1(C(C)C)CCC1)C(C)(C)CC	2017143042	ZUPZLLMUAXRUCM-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@@H](O)C[C@H]2CC[C@H](C)CC2)CCC1	2017650499	HWQLNCOYMZICNQ-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@]2(C)C[C@H]2C)CC1	2017663833	ZBNCVUARRQIVBQ-IXYNUQLISA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](C[C@H]1CC[C@H](CC)CC1)NC	2017722673	QURWLIPALPCDJS-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1CC[C@H](C)CC1	2017766837	MLFQAAMJVXWJDX-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
CCCNCC1(CC2(CC)CC2)CCCCC1	2019002384	HYKOQOVXFFMBKO-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H](C)c1ccccc1	2019108756	RNEDSCOAZDCTCZ-GJZGRUSLSA-N	233.399	4.504	0	10	BJAE	
C[C@H]1CCC[C@H](N(C)CCCC(C)(C)C)CC1	2019322730	FIBZSILPKSRURV-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CC[C@@]1(C)CCCN([C@H](C)CCC(C)C)CC1	2019421175	LVRPIHGBNBBTLL-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@H](C[C@H](CC)C(C)(C)C)NCC	2020970952	FIZWKIKJAVNAAK-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccccc2C2CC2)C1	2021025821	CTAJUHOEPAYEHW-JSGCOSHPSA-N	229.367	4.555	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC1(CCC)CC1	2023338828	IMLIFGXRNSFNHZ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1C[C@H]2C[C@@H]2C1	2026071884	BCYWURYLNATALT-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2C[C@H]3CCC[C@H]2C3)c1	2026240839	LSSABOZAGDNCRG-OBJOEFQTSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc([C@H](N)CCC[C@H]2CC2(C)C)cc1C	2027830927	FGEGFKXDBWDSHE-JKSUJKDBSA-N	245.410	4.520	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@H]3CC[C@H]32)cc1	2027989865	CFHKPQIQYOZMMW-DJIMGWMZSA-N	243.394	4.630	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1ccc(C(C)C)cc1	2028236061	VZVMAYDIQZYUOB-IRXDYDNUSA-N	248.410	4.916	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1cc2ccccc2o1	2028241754	URTMGAMOHUKSJB-CZUORRHYSA-N	246.350	4.539	0	10	BJAE	
CN[C@@H](c1ccc(C)cc1)[C@H](CC(C)C)C(C)C	2028265045	QPFFPMZEOUGDTG-SJORKVTESA-N	247.426	4.574	0	10	BJAE	
CC1(CCC(=O)c2ccc(C3(C)CC3)cc2)CC1	2028592139	ZZORFPIBFIWFOE-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CCCCC[C@H](NC)c1ccc(C2(C)CC2)cc1	2028598116	NPROECDKQYZILO-INIZCTEOSA-N	245.410	4.579	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CC2CCC=CCC2)C1	2028873739	FQGUELLCQWUNFY-DOTOQJQBSA-N	249.442	4.668	0	10	BJAE	
CCC1CCC([C@H](N)CC2CCC=CCC2)CC1	2028896632	FFDXWQSOELMVME-BDVYOWHSSA-N	249.442	4.667	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)c1ccccc1CC(C)C	2028915834	SXFUQUNETJNIRW-JJRVBVJISA-N	247.426	4.567	0	10	BJAE	
CCC1CCC(C(=O)C2CC[C@H]3C[C@@H]3CC2)CC1	2028965589	UDGVYMNIJMLBKI-BGHVQYPCSA-N	248.410	4.598	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C[C@H]1CCCCC(=O)C1	2029173061	BJFONQGCVAUXIC-RZLSGREXSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H](NCCC2CCCC2)CC2(CC2)C1	2030286671	DWGHPESSIPLPGF-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCC1)C(C)(C)C1CCC1	2035577189	WXPZBOOLYSKYHM-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1ccc([C@@H]2C[C@@H]2C)o1	2037169486	VRFLSMMGNXGBSP-MJBXVCDLSA-N	247.382	4.539	0	10	BJAE	
C[C@@H](C[C@@]1(N)C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2038626814	RTOCCBYHONXDNG-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
CCCC1(NC[C@@H]2CC23CCCCC3)CCCC1	2039088397	KTDJMHQICCNJGP-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC23CCC(CC2)C3)C1	2039419116	BLTJVDQRIIYWFH-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](NC)c2ccccc2)CC1	2041379751	NHADITPAGLLJKY-PVAVHDDUSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@@H]1C=CCCC1	2043190119	GXPUBALNOHDSRA-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H]1C=CCCCCC1	2043194994	QTKFSRGWFFRWST-DOTOQJQBSA-N	247.426	4.744	0	10	BJAE	
CC1CC([C@H](C)Nc2ccc(C(C)(C)C)cc2)C1	2043545442	XAUSBLBZFLBDCV-MOKVOYLWSA-N	245.410	4.831	0	10	BJAE	
O[C@@]1(C[C@H]2CCC=CCCC2)CCCC2(CC2)C1	2045334891	MHRCTLQAELEMQU-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CC[C@H]3CCCC[C@@H]3N2)C1	2045504035	ILJBXSDPIDWGBC-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H](N(C)C2CC3(CCCCC3)C2)C1	2046322960	RCYKWZLDSQUGLJ-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@H]1CC(C)=C[C@@H](C)C1	2048875526	XIDAMZXQZMTULS-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)NC[C@]2(C)C=CCCC2)C1	2049532298	JYDMLQPBFGIBFI-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)C[C@@H]1CCCC2(CC2)C1	2049860990	WAMSOWWHKGASRU-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(=O)C2(C)CCCCCCC2)oc1C	2052459710	DPWUUEFSVVYYFV-UHFFFAOYSA-N	248.366	4.830	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1CCCCC12CC2	2053410037	CUTRIUUBOVTKGV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(CC)NCc1ccccc1C(C)(C)C	2053869947	ZIWXNJUJFLIGEI-UHFFFAOYSA-N	247.426	4.652	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@@H]1CCC[C@H]1C(C)C	2056448935	NWTIGDIXKMWLLD-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC1(CNCCCC2CCC2)CCC2(CC1)CC2	2056537315	KIYSSQPTBHTAJS-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2059248244	ZYQMXAUABGCOKO-UIOQXCJVSA-N	249.442	4.667	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CCC[C@@H]2C[C@H]21	2059252264	GVALMKBJFWVQPH-UCCFHMQISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)C1CCC(C)CC1	2060925462	LAOBZLBWWJASNH-VFNXUKNFSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)C1=CCC(C)(C)CC1	2061110826	LSWHZGIPFFGLHH-XJKSGUPXSA-N	249.442	4.667	0	10	BJAE	
CCCC1([C@@H](NC)C2=CCC(C)(C)CC2)CCC1	2061149868	GTAQRZZDJMRVJB-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](CC2CC(=C3CCC3)C2)C1	2061702230	QPSCKDJMVVLMHI-OLZOCXBDSA-N	246.394	4.662	0	10	BJAE	
FCc1ccc(N[C@@H]2CCCCCC23CC3)cc1	2062019367	INIWRCPXGBCMSV-OAHLLOKOSA-N	247.357	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(N)CCCCCC23CC3)C1	2062021355	UTSWYGBGOJOPMU-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCCC[C@H]2C)n1	2066348137	YMNXRPDSRKMVFI-HIFRSBDPSA-N	246.398	4.586	0	10	BJAE	
CCCc1ccccc1N[C@H](C)[C@H]1CCC1(C)C	2068287570	NCDQDASSEVYOKW-UKRRQHHQSA-N	245.410	4.876	0	10	BJAE	
C[C@@H]1CC(C(=O)C2(CC3CC3)CCC2)C[C@@H](C)C1	2069503415	JWJSATLCRAYIEB-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
C1=C[C@@H](CN2CCC23CCCCCC3)CCCC1	2070395111	LESYVAZOFWDYMR-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CC=C(CC)[C@H]2N)CC1	2072802587	ZIJSVCMLAYQDDL-MUIFIZLQSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@@]3(C)C[C@H]32)CC1	2072805682	DYSYVWQBMPKZSK-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC[C@@H](NCC)c2ccccc2)CC1	2074631996	NTNLUGKJNOKQMZ-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@H]1C=CCCC1	2074644797	VCAHIYLWQFHIOK-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](Nc1ccccc1C1CC1)c1ccco1	2077261942	IRAFBKIBEDFOTE-AWEZNQCLSA-N	241.334	4.720	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)c1ccc(C(C)C)cc1	2079632449	HOTSUOHOKLYZPD-BRWVUGGUSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(OC[C@@H]2C[C@@H]2C2CCCC2)c(C)c1	2079801882	IORLQYOUFZBCJX-JKSUJKDBSA-N	244.378	4.509	0	10	BJAE	
C[C@@](N)(C[C@@H]1C[C@H]1C1CCCCCC1)C1CCC1	2079830418	AZBRSLBLWLFJSB-BHYGNILZSA-N	249.442	4.501	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2079852285	PRWBUVBCIFLJCB-LVBITLCTSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@@H]2C2CCCC2)CCCCC1	2079870052	JDZOXDCRXOZWNA-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@H]1CN1CCCC12CCCCCC2	2079900818	TZDHGRPVHZDFAV-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)C1(C)CCCCCC1	2080219312	MJIDISJJYNBMCB-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCNC[C@@]1([C@H]2C=CCC2)CCCC(C)(C)CC1	2081681720	DQELHXFSRMKXKL-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CCC1=CCCCC1	2081789606	QCZHGMSHUZCOJS-KRWDZBQOSA-N	249.442	4.992	0	10	BJAE	
CCN[C@H](CC)c1ccc([C@@H]2C[C@H]2C(C)C)cc1	2082715489	QBGRSIGTNHSREE-YESZJQIVSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)CC23CCCCC3)C1	2082978674	ISIGWVKZABXXEL-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)C(=O)CC1CC2(C1)CC1(CCC1)C2	2083618046	UVJUEYKZERGXCL-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)C[C@@](C)(CC)CN[C@H](C)CC	2212584053	LSYWEGTVSITZIV-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)CC1(C)CC2(CCC2)C1	2215429292	FZQVPMRFIXBQNT-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
O[C@H](CCCCC(F)F)CC1CCCCCC1	2216460711	YDQMHSQCAFDXFK-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C)C[C@]1(CN[C@@H](C)CC)CCC[C@@H]1C	2217153240	KOQHPSDFIMPTAI-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218348897	DCLIHYGXTMFJJA-UDUKYVLYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1=O	2218374172	NHEUBWVQNRLYMM-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(CCNC2CC(CC3CC3)C2)CC1	2218463465	VIUUCKYUVMANLC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C1CC(=C2CC2)C1	2218725406	JKWWXBCAXFREAR-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCC1CCC(NC2CCC(C3CC3)CC2)CC1	2218897082	QHWFTPLYCLPVEM-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC1(CNC2(C(C)(C)C)CCC2)CC2(CCC2)C1	2221029006	WCOMRTQNIDFXSH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)CC2(C)CC3(CCC3)C2)c1	2221074085	YNUSPGHXWPMWDH-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CC[C@]1(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCN1	2222976002	CBXGKOSRXWWZQI-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
C(CCCC1CC1)CCCN1CCC12CCCC2	2223107035	DFZJCKBUYVCTRV-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@]12CCC[C@@H]1C2	2223112476	FFDKWGFNAPQSHK-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCCCc1ccc(C(=O)C[C@H](C)CC)s1	2242605006	NEKMJDBKJPJARG-LLVKDONJSA-N	238.396	4.710	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC1(C)CC(C)C1	2246445444	VFDMYISNUXBADY-YHNBSYBMSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)[C@H](CCCCCC1CC1)NC	2250356171	PQQKCZGZYMUJNA-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC1CC(N)(CC[C@H](C)CCCC(C)C)C1	2250470103	WKOIRDAYFRIDSF-QQFBHYJXSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1NCCC1=CC[C@H](C)CCCC(C)C	2250515863	CVUJSJORBIAJQX-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](Oc1ccccc1C(C)C)C(F)(F)F	2253075611	XLFPDXLYZAYARQ-LBPRGKRZSA-N	246.272	4.530	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)c1ccc2ccsc2c1	2253084212	YMOKRGQNIKKMOF-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@H]1CCCCC12CC2	2253810994	LJDVMUIHVAWESH-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNC2(CC3CCC3)CC2)C1	2253949823	AINMIYUYFTXZHL-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](N)(C2CCC2)C2CC2)C1	2254000668	GEZONNYVCFGHRR-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCC1CC2(CCCC2)C1	2254083744	HRMBYQJEBVHWPK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@]1(CN)CCCCC12CC2	2254585223	MUXWMHJWSOOSAD-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CCCC[C@@H]2C[C@H]2C)c1	2254589630	VTTRAROKOFXMIS-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1CCC12CCC2	2254843645	IIICRKJHIVNLCN-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(N[C@H]2CC(C)(C)C[C@H]2C)cc(C)c1C	2258235163	GDALBAQJJQOPBT-CJNGLKHVSA-N	245.410	4.848	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@]12CCC[C@@H]1CC2	2298697142	UTRHPXNVAVBURO-IIAWOOMASA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC1CCC(C)CC1	2300496970	QBLKHTSTBZQEDM-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCC(CC)CC)CCC1(C)CC1	2300683006	FKGWGJZMYANEKM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)=CCN[C@H]1CC(C)(C)CCC1(C)C	2300863577	QMKNRBYDSBBODC-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@](CC)(CNC1CC1)C(C)C	2300866271	YQIUDNNPDRUNLN-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@H]1CCCC(=O)C1)CCCC(C)C	2300868331	XLSIIZOOSPJYCK-OAHLLOKOSA-N	236.399	4.908	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H](C)CC(C)C	2300880695	MJLSSBGRNLMRLQ-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)CCC1=CCCCC1	2301939229	SAYNBNOTKBTQKK-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@H](C)CC	2302355873	GZEMIZBJTXEJNG-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1C(=O)CC1=CCCCC1	2303444431	JUCUZOMNWNGABZ-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCCCCN1CC(C)(C)CC1(C)C	2303708924	WKJOEJUIKPSHRZ-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
C[C@@H](N(C)CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304394450	QUBDWJCVXKRWFH-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)CCC)CC(C)(C)F	2307911330	USDVUDQSSPVAQT-KGLIPLIRSA-N	245.426	4.709	0	10	BJAE	
CCCNC[C@@]1(CC[C@@H]2C[C@@H]2CC)CC=CCC1	2312461032	YJBGQIGLVUOAHP-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H]1CCCC12CC2	2316538821	YHEZHMXLYHDAPX-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](CCC1=CCCCC1)NCC	2317903477	FSIKZBWEJXJNLO-RCFWFJCLSA-N	249.442	4.992	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1CC[C@@H]1C[C@H]1C1CCCCC1	2318797396	UJEUKAVBMSTZSM-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CCC(=O)c1cc(F)ccc1C1CC1	2319174596	VTXGCAIDAZTJPN-UHFFFAOYSA-N	248.341	4.712	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@H]2CCCC[C@H]2C)CC1	2320333740	JMJLDIJMANRENN-SIXLDLHFSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CN2CCCC[C@H]2C(C)C)CC1	2320395383	DPVVOMNMUAWYAS-SJORKVTESA-N	249.442	4.633	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](F)c1cccc2c1NCC2	2328281401	HQXXUKGJRIZLDN-IUODEOHRSA-N	249.373	4.882	0	10	BJAE	
CCCCc1ccc([C@H](C)NC(C)(C)CC)cc1	22152061	ZIGQASKISVWQSX-AWEZNQCLSA-N	247.426	4.868	0	10	BJAE	
C1CCC(CN[C@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	34994776	GZBYAYYNVYJPTD-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](NCCC)c1ccc(C)cc1	35576944	INTGBOTWNISZPO-INIZCTEOSA-N	233.399	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1ccc(C)c(C)c1	68863531	XUQGZAYVBDSLJZ-WBVHZDCISA-N	248.410	4.943	0	10	BJAE	
CCCC[C@@H](CC)Nc1cccc(C)c1C	68985683	UJEKDIHPSQOKBJ-CQSZACIVSA-N	219.372	4.684	0	10	BJAE	
Cc1c(C)c(C)c([C@@H](N)[C@H](C)C(C)C)c(C)c1C	70122866	JINNEPNNHUJZRF-QGHHPUGFSA-N	247.426	4.521	0	10	BJAE	
CCc1ccccc1N[C@H]1CCCC[C@H]1CC	70977655	APEQCOVWQGFLBR-ZBFHGGJFSA-N	231.383	4.630	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@H](C)CC	71127815	JMKYIKLCVOWCSJ-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
c1cc([C@H]2CCCCN2)ccc1C1CCCCC1	71558075	SLPGISNNIDGENG-QGZVFWFLSA-N	243.394	4.549	0	10	BJAE	
Clc1cccc(C2CCCC2)c1Cl	75840610	KTIXKQDWIZEZGU-UHFFFAOYSA-N	215.123	4.651	0	10	BJAE	
CCCCCNCCC/C(C)=C/c1ccccc1	76287976	XAFGGJHADVRQGJ-FOCLMDBBSA-N	245.410	4.650	0	10	BJAE	
CCC(C)(C)[C@H](N)c1ccc(C)c2ccccc12	79904678	IOTWRRHQDCFRLC-MRXNPFEDSA-N	241.378	4.584	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC[C@H](C3CC3)C2)c1	81624389	ZVFRRWQNJAFXJT-JKSUJKDBSA-N	243.394	4.684	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H]1CCCC(C)(C)CC1	86909282	NUGXRDRYNDVKSQ-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@@H](C)NC(C)C	87146780	CHHYLUGQKVWJDK-ZNMIVQPWSA-N	227.436	4.616	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)c1cscc1C	87288805	SVBZJDXYOMIYEX-RISCZKNCSA-N	239.428	4.533	0	10	BJAE	
C[C@H](CC(=O)c1sccc1Cl)C(C)(C)C	87621108	KEBJZCCUKACYDE-MRVPVSSYSA-N	244.787	4.657	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C1CCCCCC1	88492771	IFVHZFUGJLIJKV-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
c1cc2cc(NCC3CCCCCC3)ccc2[nH]1	89557101	FDWRBIVLSVRBMF-UHFFFAOYSA-N	242.366	4.550	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCc2ccccc2C1=O	103930292	AJNQFEUJFHANDR-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
CC/C=C\[C@@H](C)Cc1c(C)cc(C)cc1C	107532742	CRFFMANKUDLJBE-QDZRJHCZSA-N	216.368	4.757	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1ccc(C)c(C)c1	109781462	USCASVGXDDQIBE-GDBMZVCRSA-N	234.383	4.553	0	10	BJAE	
CC[C@@H](C)Nc1cccc(Oc2ccccc2)c1	109925971	LPTWNRYMOIWFOP-CYBMUJFWSA-N	241.334	4.689	0	10	BJAE	
CCC(CC)[C@H](C)Nc1nc2ccccc2s1	111670415	NFIOCGONOQYKNK-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
CCCC1CCC(O)(CC(CC)CC)CC1	129289115	YVHSBCMGFVCDKM-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)c1csc([C@H]2CCCCS2)n1	132273853	QUTGMQGCQZTUNP-MWLCHTKSSA-N	241.425	4.615	0	10	BJAE	
CCCC[C@H](CC)Nc1c(C)cccc1F	135236375	DSLMSNJLIKUJQJ-LBPRGKRZSA-N	223.335	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC(C)(C)C[C@H]2C)c(F)c1	155849788	JMOOKOFESAULOV-TZMCWYRMSA-N	249.373	4.761	0	10	BJAE	
Cc1cc(C)cc(-c2c(F)cccc2Cl)c1	160403272	ICEPZJBSMZYHPK-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
CCN[C@H](c1cccc(CC(C)C)c1)[C@H](C)CC	165811066	MYDLBTWWWPSWGX-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CC[C@@H](C)CC(=O)c1c(C)c(C)cc(C)c1C	167175835	OEDAKQAEIAYPLC-SNVBAGLBSA-N	232.367	4.539	0	10	BJAE	
CCCCC[C@H](C)Nc1nccc2ccccc12	168664029	HETBXWYBOMRMIH-ZDUSSCGKSA-N	242.366	4.616	0	10	BJAE	
CCCN[C@H](c1cccc(C2CCC2)c1)C(C)C	169029354	BTNSLQFYBWTJDH-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CSc1oc2ccccc2c1-c1ccoc1C	196496606	CYVOURPMPHVVMS-UHFFFAOYSA-N	244.315	4.723	0	10	BJAE	
c1ccc2sc(-c3ccsc3)cc2c1	200243399	ATJPJAGDNHOCQU-UHFFFAOYSA-N	216.330	4.630	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCCC[C@@H]1C(C)C	214542400	SEDAEQZHDVUYQM-IMJJTQAJSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@@H](CCCC(C)C)C1	221656274	XWBZPMNJNMPNOH-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CCC[C@@H](CC)C1	226927700	CAJLZTGCTVAYGI-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)c2ccc(C)c(C)c2)C1	227390763	OTJNZGCJFGTJHW-ZMSDIMECSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)C[C@@H](C)C(C)(C)C)C1	228769915	ZLWAEPLYPXIVMJ-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CC1CCCCC1	229330223	YBQRDHODJFXZNV-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](N)C1=CCCCCCC1	232900673	UXFWVBZAOYGLLR-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C1C[C@@H](C)C[C@H](C)C1	252899615	HUNQERHGMJOFHH-YXWQFLTLSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](CCN)c1ccc(C2CCCCCC2)cc1	258455901	ZDXQNNUWFQQCJF-AWEZNQCLSA-N	245.410	4.577	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC(C)(C)C)NCC	301010201	ZTURSQIJUIFROD-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1C)[C@H](C)CC(C)C	302569902	OVVWTIIIDKHIBW-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CCCN[C@H]1CCC[C@@H](CCCC(C)(C)C)C1	305962711	XDCKSOWFEZPUOC-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CSc1csc2c(Cl)cc(Cl)cc12	306598984	QRZUKMDBNCTXFU-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CSc1ccc2c(Cl)c(Cl)sc2c1	307720701	UXOWIEZXLJENRH-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@@H](CCC2CCCCC2)C1	310064100	BQOVQMKZHCHQJI-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(O)CCCC(C)(C)C2)C1	310102404	BWGMQXQFAVKYQV-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H](C)CCC(C)(C)C)CC1	310309069	SYHWJMLWHSUIRS-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)CC2CCCCC2)C1	310408788	MCPZQFIAZVXOAP-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@]1(CNCC(C)C)CC[C@@H](CC)C1	318005693	IEYYSIPPTGQKRX-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)NCC/C=C\c1ccccc1	322940043	PGXPXGGMBZLRCN-UBAGTECSSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H](NCC1=CCCCC1)c1cccc(C)c1	379580465	GZIDOFGQJQUFOY-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CC(C)CCCCCN[C@H](C)CC(C)(C)C	384678614	SXUFHRHZBDDRES-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
COc1cc(C)ccc1N[C@H](C)CCC(C)(C)C	385380580	SLPKGLFAUGYULR-CYBMUJFWSA-N	249.398	4.630	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cccc(C(F)F)c2)C1	386151130	IVKGOVKYNASNQZ-ZWNOBZJWSA-N	239.309	4.615	0	10	BJAE	
CCCCCC[C@@H](N)[C@H]1CC[C@H](CC)CC1	392848927	AVPZDGHOYPLJIP-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCc1cccc(NCCCCCC(C)C)c1	394731623	HEACTXRQTLPPKP-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCCC(C)(C)C1	394864773	OGPGUGTZZNRZSW-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@](O)([C@@H]1CCC[C@H](CC)C1)C(C)(C)C	395424752	NKWPADSAUYHDHG-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CCc1c(SC)cc(CC)c2sccc12	396177740	NSXFBHRJNDJDSV-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cc(C(F)F)cc2c(C)csc12	396202619	RLTMKFASRQYCND-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1cc2ccc(C(F)(F)F)c(C)c2s1	396295921	DAFXZLZNPDMLNA-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1/C=C(\CN)C1CCCCC1	401757329	QLJWPYAGHQIAJG-QBGPEFOPSA-N	249.442	4.668	0	10	BJAE	
C[C@H](CC1CCCC1)Nc1ccsc1Cl	689791962	QQJKUKNHFKUQPH-SECBINFHSA-N	243.803	4.782	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCCCC[C@@H]2C)c1	691085293	YBEOAMCZENLAPS-WFASDCNBSA-N	235.346	4.515	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1CC2CCC1CC2	691657032	XHPPWHKLWMHXRP-NRXISQOPSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C2CCC3(CC2)CC3)C[C@H]1C	695665791	DKAMDXIJJRHNHO-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
CCc1ccsc1C(=O)CCC(C)(C)CC	696665965	UWXXCIAUTOGJKU-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CCC(C)(C)CCNc1ccc(Cl)cc1	696686060	XQPKKNFETXWIQO-UHFFFAOYSA-N	225.763	4.578	0	10	BJAE	
CCC1CCC(O)(CCC(C)(C)CC)CC1	696809576	XKCICSMXZDTRMT-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)CC1CCCC1	697758917	JQTFKBABTJQAIW-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)C[C@H](C)Nc1cc(C(C)(C)C)ccn1	699604677	FAZXPELXJSTDSX-OLZOCXBDSA-N	248.414	4.616	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccc(C(C)(C)C)cc1	701078900	NOCGIKRGSZAFPF-HNNXBMFYSA-N	248.410	4.844	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@@H]1C)C(C)(CC)CC	701148491	PFTOOFJWDCEFHJ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCNCC1(CC2CCCC2)CC2(CCC2)C1	701189875	BGJBMMFWMVQTSR-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)C[C@]1(C)CNc1ccc2ccccc2c1	702323627	KSQIVLRZTOQENM-QGZVFWFLSA-N	239.362	4.688	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCCC[C@H]1C1CC1	704474747	SSBXYICBMPHFMR-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)[C@@H](C)CC(C)(C)C)C1	704609958	HFAIURXCQSIOPC-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)c1ccc(OCC(F)(F)CC)cc1	704781559	AGVSXIDPKXMFSU-NSHDSACASA-N	242.309	4.624	0	10	BJAE	
CCC[C@@](N)(C[C@H](C)C1CCCCC1)C1CC1	705325918	RVSWMNLIVFWTIL-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H](C)CC(C)(C)C)C1	709128726	SZDJJMNXJMYKFT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H](C2CCCC2)C2CCC2)C1	711830338	CZCFEFFTUAWATP-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H](C1CCCC1)C1CCC1	711830610	FFVBOFSOVMCIKS-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C[C@@H]3CCCC[C@H]32)CC1	712368792	FCJWZIZGDKFKDG-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](N)(CC(C)(C)C(C)C)[C@@H]1CC1(C)C	713177024	XJWWIRMNYPOAAG-CJNGLKHVSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC(C)(C)C(C)C)NCCC	713183079	IWALWPXOYAWAOU-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(O)CCCCCC1(C)C	713239700	CRBLSFVTHSEEBV-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
C=C/C=C\CCNc1ccc(C(C)(C)C)cc1	713646141	XNQSEZRJDRDUPN-SREVYHEPSA-N	229.367	4.528	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CCC(C)(F)F	714007889	GYDGMQHQPJFNQB-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
C/C=C/C[C@H](C)c1cc(Cl)c(C)cc1OC	714561577	YCDQTJCYUYCDST-PORFMDCZSA-N	238.758	4.727	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C2CCCCCCC2)C1	723540823	NIXQKCWBLWBWEA-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
C[C@H](SCC(C)(C)C)c1ccc(F)c(F)c1	1613781972	AMLRSWDBNDFCPJ-VIFPVBQESA-N	244.350	4.805	0	10	BJAE	
CCCC[C@@H](N[C@@H](C)CC1CCC1)C1CCC1	1621315160	BEGNCELONWEGLE-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CCCNCCC=C(C)c1ccccc1C(C)C	1883639037	YMSHDIDZRAOKIO-UHFFFAOYSA-N	245.410	4.603	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)[C@@H](C)C(C)C	1901525501	FJIULJUYNCCBBB-ZNMIVQPWSA-N	227.436	4.616	0	10	BJAE	
CCC[C@@H](CC)CCC(=O)CC1CCCC1	1905310488	MELPTICCULNNIA-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C1(C)CCCCCC1	1906208999	HRUKJJNKNZHQJM-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](N)C1(C)CCCCCC1	1910739347	FVEVVFPTMFOENM-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)NC[C@@]1(C2CCCCC2)C=CCCC1	1916569033	NZXOCNORXPRVFC-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@](C)(O)c1ccccc1CCC	1919942646	FCMAMDXCWIDDFL-QGZVFWFLSA-N	248.410	4.817	0	10	BJAE	
CCCc1cccc([C@@](O)(CC)C[C@H](C)CC)c1	1919971002	WHRXDYKCDULSQS-RHSMWYFYSA-N	248.410	4.673	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1(C)CCCC1	1920193883	NGCFARWZXCWTQP-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@H]1CCC[C@H](C)C1	1920200391	COELMKHMYLTRHV-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CC1(C)C)CC1=CCCCC1	1921566252	ZPKFGKDYMUQPPC-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@]2(CN)CCCC23CCC3)CCCCC1	1921634002	URVIEXKMSOFGCR-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2C=CCCCC2)CC1(C)C	1925757050	KNVZENHRTWBWKW-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2C=CCCCC2)cc1	1925930732	SYJDLTUSVDBMAC-HNNXBMFYSA-N	243.394	4.968	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CC(CC)CC	1926355206	OSLMUDFKAOYVCY-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1ccc(Cl)s1	1928722960	BWYKXGZWGINTOU-SKDRFNHKSA-N	246.803	4.507	0	10	BJAE	
CC[C@@H](C[C@H](O)c1cscc1C)C(C)(C)C	1938843528	QEPIGMVIHKMZMX-AAEUAGOBSA-N	240.412	4.552	0	10	BJAE	
CCCCCC[C@H](NCCC)C1(C2CC2)CC1	1941137509	VHKBOKAINKPCOV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CCC1CCCCC1	1941252786	RHQKCTQXHWXAIM-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@H](CC)C(C)C	1941262602	HLTVUTHSEWWKQC-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H](CCC)C(C)C	1941264315	QYIMXPCFEHVGOH-JYJNAYRXSA-N	241.463	4.993	0	10	BJAE	
CCCCCCNC[C@@]12CCCC[C@H]1CCC2	1944193526	DVPRCSROMFBTEP-HOTGVXAUSA-N	237.431	4.517	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](O)CCC1CCCCC1	1944853888	UOUIRMCGDVSKKU-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC(C)(C)C1CCCC1	1945381717	HLALUSRHZAFKLY-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@H](CCC(F)(F)CC)NC	1947994161	VBVQKKBJAYMUGK-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCN[C@H](CCCC=C(C)C)CC1CCCC1	1949862047	LUIWAMQUKKHFCE-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@@H](C)[C@H](C)CC	1949862863	VXXXBPALCCIEGM-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CC(C)CCN(Cc1ccccc1)[C@H](C)C(C)C	1953323838	YDYBRUQICGQICG-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CC1(CN[C@H]2C[C@@H]3CCCC[C@@H]3C2)CCCCC1	1965927613	NVJKPQAMRZLUOB-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
C[C@@]12CCC[C@H]1N(CCCCCC1CC1)CCC2	1966613044	LDSDQBJSZJEOLG-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
CCC(CC)[C@@H](C)NC[C@@H]1CCC=CCCC1	1967814798	LCKZUPYCGOFVGN-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C)cc(NCC[C@H]2CCC[C@@H](C)C2)c1	1968307378	JCOMCSFXFRSSIR-CZUORRHYSA-N	245.410	4.932	0	10	BJAE	
C[C@@H]1CC[C@H](CN2CCCCC23CCCCC3)C1	1972911292	DRKASGVWSLZVGY-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCC/C=C/CNc1ccc(Cl)cc1Cl	1974575109	BAJYJEMXSNQQKV-SNAWJCMRSA-N	244.165	4.762	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@@H](C)CC(C)(C)C	1976003601	OJNUBENPUGAJCY-OLZOCXBDSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@](CC)(CCC=C(C)C)CNC	1978640514	XBNZBBTVLHXVQE-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CCCC[C@H](CCC1(C)CCC1)NCCC	1979058412	FCLYUXTZGLBFET-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC=CCCCN[C@H](CCC)c1cccs1	1984609188	XYGHQEGXSIQDMT-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
C1CC1=C1CC(CC[C@@H]2C[C@H]3CC[C@H]2C3)C1	1985534497	JZJGNUNJYJMYEE-TUKIKUTGSA-N	216.368	4.703	0	10	BJAE	
CCCCCCc1nc(C(C)(C)CC)cs1	1985904459	IBWPGVWOUWAVHX-UHFFFAOYSA-N	239.428	4.954	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](CC)CCC(C)C	1986946565	BSZTXSSXXCKSMY-KKUMJFAQSA-N	227.436	4.616	0	10	BJAE	
CCCCC[C@](N)(C=C1CCCCC1)CC	1990097560	CUUYFOWVODXYLZ-HNNXBMFYSA-N	223.404	4.565	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CC(C)(C)CC1=O	1993757112	BMNLMTGBWOCTSM-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C1=C[C@H](Cc2ccc(-c3cccs3)s2)CC1	1994872648	JAMZZNDJHGGECG-NSHDSACASA-N	246.400	4.985	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@@H]1CC[C@@H](C)C1	1996260530	PHQQELIVIPITLM-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)N[C@@H](C)CC1=CCCCC1	1998379019	ABQWSHZDIGNPCR-AWEZNQCLSA-N	237.431	4.824	0	10	BJAE	
C[C@@H](CC(=O)C1(C)CCCCCC1)C(C)(C)C	2000212781	ZASFTTPLHGKYIO-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@H]1CCC12CCC2	2001842901	BVEZKSBTZJEIDA-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C1CC(C(C)C)C1	2002321522	DCKTYGKSUWGNRC-WLYUNCDWSA-N	238.415	4.700	0	10	BJAE	
CCCCCN[C@H](C)C1CCC(CCC)CC1	2002924328	HRQBBBAHEAJNAF-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1NC1CCCCCCCC1	2003098883	IHZSKXGQAAOLQU-UHFFFAOYSA-N	231.383	4.910	0	10	BJAE	
CC(C)=CC[C@]1(N)CCCCC12CCCCC2	2004224753	FFELTWIHTYICTM-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H](C)C(C)(C)C	2004231670	AYOFIUSLIPUQDY-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CN[C@@H](CC=C(C)C)C(C)(C)C1CCCCC1	2004234236	OSRIHJFOMAGPFE-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CCCCCC(C)C)C1	2006608622	NCNYNKRMVAQFLE-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](CC2(C)CCCCC2)C1	2006665526	JQMKBXVRLYXATK-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC[C@H]2F)c1	2006676280	GOZKYSVVFBGQQR-HUUCEWRRSA-N	235.346	4.503	0	10	BJAE	
C/C=C/CCCN(C)[C@@H](C)C1(C)CCCCC1	2009579554	UPTHXIHGLQSMNJ-NFAHFFEMSA-N	237.431	4.633	0	10	BJAE	
CCCCC[C@@](C)(N)C1=CC[C@H](C(C)C)CC1	2010737187	ILGCYAVIKWVDBX-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCCC(CCC)[C@H](O)CC[C@]12CCC[C@H]1C2	2010967452	FKERTXXDKPEDTH-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](CNCC(C)C)(C(C)C)[C@H](C)C(C)C	2012421259	JVJANOMYAHHIKP-HZPDHXFCSA-N	241.463	4.577	0	10	BJAE	
CC[C@@H](CCC(C)C)NCCC1(C)CCCC1	2013262330	AUZIYLNCODKVEQ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C[C@H](C)CC(C)C	2013309971	VADNOYVYRKNXPP-HZPDHXFCSA-N	241.463	4.815	0	10	BJAE	
C[C@H](CN[C@@H](C)C1(C)CCCC1)CC(C)(C)C	2014360162	RNHSGLUKXJXTQB-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)CC1(O)CC(CC(C)(C)C)C1	2014655515	KHUDNTZTOCTSLT-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NC1CC(CC(C)(C)C)C1	2014657681	NJAAIVJVCOHTDM-LMRVLLHPSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@]1(CNCC(C)C)CCC1(C)C	2014846426	NJXIXFYTLQLBIG-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC1(C[C@](C)(N)[C@@H]2CCC2(C)C)CCCCC1	2014872838	WKNCEFFGBNMJKZ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)C1(C)CCC(C)(C)CC1	2015280332	FAOUCWOZRMFGQE-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)[C@](O)(CC(C(C)C)C(C)C)CCC1	2015282623	WZBZBZPLIZLRBU-MRXNPFEDSA-N	238.415	4.556	0	10	BJAE	
CCCCC1(NCCC(C(C)C)C(C)C)CC1	2015361747	YOVGDQAWLWGGAO-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CCC(=O)C1CC(C)(C)C1)C(C)C	2015389168	TTYHXVCSWLFBMK-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@@H]2CCCCCC[C@H]2O)CCC1	2015635010	UXUCOPYPQMEGIJ-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CC1(CCC)CCC1)C(C)(C)C	2015642066	LZASVLLZBRJUTH-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](C)(O)CC1(C(C)(F)F)CCC1	2016720822	RQUIHUDMGUHUHO-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CCNC[C@]1(CC(C)=C(C)C)CC[C@H](CC)C1	2017466956	RCROCNPUAONVMO-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@](O)(CC1CCC(CC)CC1)C1CC1	2017647556	GOZLVEZQTQIDEJ-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](CN)C(C)(C)C)CC1	2017728061	HDDKCAGKIRPDJD-RBSFLKMASA-N	239.447	4.604	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CCCCCC[C@H]2N)CC1	2017731846	WFEFFEPCVSNUDG-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc2sncc2c1	2017744190	RMIFSOUAICTGPR-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
CC=C(CC)[C@]1(O)CCCC2(CCCCC2)C1	2020971027	GIACDUQJXMXHEK-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CC(=O)C[C@@H](C)CC(C)(C)C	2022562074	YOWMYYURDDUNDC-VNHYZAJKSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCC[C@@H]2CCCC[C@H]21	2022994268	PXKGOEFUIGMTRA-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCCCC(C)(F)F)NC	2023298349	ZHJBBAMIFCLKCC-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCC[C@@H](CCCC(=O)C(C)(C)C)C1	2024091226	GOKRZKPJVLZXNX-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@]2(C)CC=CCC2)n1	2026530135	XVXWGTWIMWBVDM-WFASDCNBSA-N	249.423	4.730	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)c1cccc(C(C)C)c1	2027724760	BBDOWBTUHIDVSP-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CCC[C@H]2CC2(C)C)c1	2027832729	NAQOLZUHOIYWJE-HOTGVXAUSA-N	245.410	4.520	0	10	BJAE	
Cc1cc(C(=O)CCCC2(C)CC2)cc(C)c1F	2027855452	OTFZBDOXRMXCPQ-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCC(CC)[C@H]1Nc2cc(C(C)(C)C)ccc2O1	2027856613	AIUJAHZCFRVUAM-HNNXBMFYSA-N	247.382	4.551	0	10	BJAE	
CC[C@H](C)C[C@@H](N)c1ccc(C2CCCC2)cc1	2031748578	XNPRQTHMKPAHOZ-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
C1CCC(CCNC[C@]23CCCC[C@H]2CCC3)C1	2031788308	HUUXRSUXKRLQGS-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CC(C[C@]2(N)CCC=CCCC2)C[C@H](C)C1	2031824035	DNTRPVVLHNFQHH-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCC2)CCC[C@H](CC)C1	2035586395	ACJVVHZKDJUHDF-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C(C)CCN1C[C@@H](C2CCC2)CC[C@H]1C	2036781703	TYEUBMBBNFBPEG-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
N[C@]1(C2=CCCCCCC2)CC[C@@H]2CCCC[C@@H]21	2037078247	LYCQHELQODVRAZ-XIRDDKMYSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](CC1CC2(CCC2)C1)C1(C)CCCC1	2038083256	NAYCGAQJDUACJY-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CC2(CCC2)C1)CC1CCCC1	2038111550	CCUDOIREUFYLPW-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
O=C(CC[C@@H]1CC2CCC1CC2)CC1CCCC1	2038111990	HNVQVFUCXMGHFM-UYSNPLJNSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC1CC=CC1)CC1CCCCC1	2038163542	GJVQKOUELDELQR-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@@H]1CC12CCCCC2	2039011372	HFKJWNFXMZSNQV-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]([C@H]1CCC[C@@H](C)C1)C1(C)CC=CC1	2042017389	UGJBYGBBJUMUOK-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@]2(C)CC=CCC2)cc1	2042069394	JIYDSELDJUXEGP-DLBZAZTESA-N	244.378	4.590	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)CCC2CCC2)cc1	2042742860	NYKFXLBBECVQIH-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@@H]2CCC3(CCC3)C2)CC(C)(C)C1	2043607939	XNTGPTSQQKAUIJ-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CN(C[C@H]1CC12CCCCC2)C1(C)CCCCC1	2047031619	ZAFDYMMCJWXEEE-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
N[C@@]1(C[C@@H]2C=CCC2)CCCCC12CCCCC2	2047558349	CGNQWPJCMZXCSC-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H](C)c2ccco2)CC1	2049418105	NQTBQVQTSXIZCB-ZUJMUWTESA-N	249.398	4.535	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@@H]2CCC3(CC3)C2)C1	2049856127	PZKVZPCXXLGAHF-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CCC1CCC([C@H](C)NC[C@@]2(C)C=CCC2)CC1	2049978155	BPWSWAQTKJIAFS-OTBWCIGPSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](N)CCC2CCC(C)CC2)cc1	2050428431	FKWZQYDOOYHXNN-PUJMQQBBSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@H](CCCC(C)=C(C)C)c1ccco1	2050521789	XMOIFUHGPBQIOF-OAHLLOKOSA-N	249.398	4.847	0	10	BJAE	
CC1(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CCCCCCC1	2052501234	TVCZDSSOZHPCNF-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](C1CC=CC1)C1(CC(C)C)CCCC1	2053665589	WKQXCWUTZZVENT-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC2CC(C3CC3)C2)C1	2056665827	IVGKUIJGOLIKSL-HNFVBEJKSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC=C1CCCCC1)CC1CCCC1	2056880422	BXHWYODHWWXOKB-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C=C2CCCC2)CC1	2056913832	MOENOSGYDAFJPJ-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCCC1CC(N[C@@H](CC)c2ccc(C)cc2)C1	2059391375	AZOPUUUVTMYCJR-PREGVCBESA-N	245.410	4.614	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)C1CC(CC)C1	2060924397	DVCPWCYZFIKZRR-RKHAHWSXSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(C1=CC[C@H](C(C)(C)C)CC1)[C@@H]1C[C@@H]1C	2061115760	KDHLVZXFSAEIEB-LBEHMCEESA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNC(C)C	2061562273	BEAFISXOUGISAH-GVDBMIGSSA-N	249.442	4.548	0	10	BJAE	
C[C@@]1(C(=O)CC23CCC(CC2)CC3)CC=CCC1	2065278215	XGJJJIAZIIIHHP-ARWYELJZSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)CC12CCC(CC1)CC2	2065280212	RUZDCPABOBNQIE-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2C[C@@H]3CC[C@@H]3C2)c1	2068744049	KWXSDCLSWTZGFZ-MKZZRHPPSA-N	243.394	4.658	0	10	BJAE	
CC(C)C[C@@](O)(C[C@H](C)C(C)C)c1ccccc1	2068817109	DWIOBVXGCKGXKW-DOTOQJQBSA-N	248.410	4.603	0	10	BJAE	
CC(C)C(CCC[C@H](O)c1ccccc1)C(C)C	2068819463	BBYSNXTTYLYWSO-KRWDZBQOSA-N	248.410	4.819	0	10	BJAE	
CCCC1(C[C@@H](NC)c2cc(C)c(C)o2)CCC1	2069338039	RWBZHWDLHYVWDN-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)c1ccccc1C(C)(C)C	2070947495	NCLKJUPISZTTSV-PXAZEXFGSA-N	244.378	4.603	0	10	BJAE	
Cc1c(F)cccc1C(=O)CC1(C(C)C)CCC1	2071921518	IOMAKSMEPNKFJQ-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)C1(C(=O)CC(C2CC2)C2CC2)CCC1	2071927895	FRBJBAOGENVNDF-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@H]2CCC23CCCCC3)CC1	2072660063	ARZPPQQRQZAANY-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC2(C3CC3)CCC2)CC1	2072800273	BYTBPAKCCOCQAR-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)C[C@H]3CC[C@H]2C3)CC1	2072802072	UFIWPBGUAUKBCI-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@]2(N)C[C@@H]3CC[C@@H]3C2)CC1	2072805649	DSTKCBGIIKFGTG-BOXKHOIUSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@H]1CC[C@H](C)CC1)c1ccccc1	2072806629	NQNHRXPWEZRBEB-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
CCC1CCC(C[C@H]2CNC23CCCCC3)CC1	2072810679	YCMNJHQSELKXNJ-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H]1CCCN1[C@@H]1CCC12CCCCC2	2075010692	MWKWKOIACOGSES-HZPDHXFCSA-N	249.442	4.610	0	10	BJAE	
CNC[C@@]1([C@H]2C=CCCCC2)CCCC(C)(C)C1	2075373862	SIJBNEPLJNQLJW-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C1CCC1)[C@]12CCCC[C@@H]1CCC2	2075851294	CESJTHZUBWCPQC-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccccc2C2CCC2)C1	2077263756	CVFABFOBXMKNGH-ZFWWWQNUSA-N	243.394	4.945	0	10	BJAE	
C1=C[C@@H](Nc2ccccc2C2CCC2)CCCC1	2077264498	TVYBXXHBYMODRC-OAHLLOKOSA-N	241.378	4.865	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2C[C@H]2C2CCC2)CC1	2079323602	IUSJPCITRWDRQQ-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1C[C@H]1C1CCCC1	2079433753	BQMYOCCODOUNIW-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCCC=CCNC[C@H]1C[C@H]1C1CCCCCC1	2079462385	PNCTWCPIUSEJAL-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)C12CCC(CC1)C2(C)C	2079840335	BNEJQRDXOUHILW-YRFCHQJDSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@H]2C[C@H]2C(C)(C)C)cc1	2079851454	LGRAGSNOPGXCSQ-HUUCEWRRSA-N	244.378	4.640	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)C=CCCC2(C)C)C1	2082976730	TXJVBDMDSDANIL-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@]2(C)C=CCCC2)C1	2082987438	QZESULXLENMUSJ-RHSMWYFYSA-N	248.410	4.908	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC1C2(CCC2)C12CCC2	2083547699	DGQUMWPBYBLCHP-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)CCc1nc2cccc(C)c2[nH]1	2085922127	JQJIGFNLXCWGNW-GFCCVEGCSA-N	244.382	4.630	0	10	BJAE	
c1cc(-c2cccc3c2CCCN3)cc(C2CC2)c1	2088947559	JUZZSVKWPPTALM-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CCCCC(=O)CCCCCCCC1CC1	2210528759	IOFHNVKIYJXFNR-UHFFFAOYSA-N	224.388	4.886	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1C[C@H]2CCC[C@H](C1)C2	2213281026	FNFKMQXZFOTTLM-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CCCCCCC2CC2)C1	2213577025	XCPXSSQUIAKWFW-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)CC1(C)CC(C)(C)C1	2215397830	GXWABTGAWNWDCJ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@]1(C)CC=C(C)CC1	2215818258	QAFJCXKKLUJZBC-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCc1ccc(C(=O)[C@]2(C)CC=C(C)CC2)s1	2215825049	ZWBMUWKGMYXQIT-OAHLLOKOSA-N	248.391	4.630	0	10	BJAE	
C[C@H](C(=O)CCCCC(F)F)C1CCCCC1	2216504742	WTGINCBLYJITRL-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
C(CCCC1CC1)CCNC12CCCC1CCC2	2218730339	DMECZXSMKFOJGM-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C[C@H]2CCCC(C)(C)[C@@H]2N)CC2(CCC2)C1	2221025069	HUEHMEVLBHYZMP-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@@H]2CCCC(C)(C)C2)CC1	2221642090	BJNCABFVVOFCQL-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](CNC1CCC1)CC12CCC(CC1)CC2	2223599972	XMIQJRCERJTCOX-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@](C)(N)CC[C@H]1CCC[C@H](C)C1	2242816044	MBHKLJBNTUTKHY-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](C)CCCC(C)C	2244799475	BRVQNFWYZZTHBW-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1nc2c(s1)C(C)(C)CCC2(C)C	2245442864	UICZDCYBRUBNOG-UHFFFAOYSA-N	237.412	4.616	0	10	BJAE	
CCC[C@H](CC)N(C)CC[C@H]1CCC[C@H](C)C1	2246663624	GAMJWKRCQXQHRJ-XHSDSOJGSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@](O)(CC)CC[C@@H]1CCC[C@H](C)C1	2246692469	PIZFMDCQGLRPNP-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC[C@@H]1CCC[C@@H](C)C1	2246726292	LCONKZZJMNOYDG-FXUDXRNXSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCC[C@H]1C[C@H]1C	2247176721	RGKAUZRFICPNDF-VNQPRFMTSA-N	239.447	4.747	0	10	BJAE	
Cc1ccsc1C(=O)CC[C@@H]1CCCC12CC2	2247642665	FXIDXZWRZGHOGU-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2250357567	XAHIVSYWEHVTPV-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC(C(C)C)C(C)C)NC	2250360768	IOIHMBVGIFJIAK-GDBMZVCRSA-N	241.463	4.719	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@]1(F)C[C@@H]1C	2250482869	WVTVISVSAYRBTI-YDHLFZDLSA-N	242.378	4.546	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H]1CCCC(=O)C1	2250483947	AZVPXENMDQEEJK-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)CCC1CC1	2250519046	LWUGCPNVNLSFST-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CC(C)(C)CCC1(C)C	2251699359	CHBBOSOGMSSXON-CQSZACIVSA-N	233.399	4.882	0	10	BJAE	
CCN[C@@H](CCC1CC(C)C1)C(C)(CC)CC	2251751432	QUFHPBUDNZEJHN-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@]1(CN)CC[C@@H]1CCCCC12CC2	2253838326	IXJSMHBNSRKGCT-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CC[C@](N)(CC1CC2(CCCC2)C1)[C@H]1CC1(C)C	2254114658	UJFOOTCIQLXJSZ-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CCCC23CC3)CC1	2255327187	PZBBEBMKPGTSEB-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@]12CCCC[C@H]1C2	2257285948	ZOXURNBAEQUVNR-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(NCC2(F)CCCCC2)cc(C)c1C	2258232908	IHKUWLODIYHEFV-UHFFFAOYSA-N	249.373	4.696	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@H](C)CC2)cc(C)c1C	2258233829	AAUHIRZHUAALGN-LRDDRELGSA-N	245.410	4.993	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@]12CCC[C@@H]1CC2	2260505704	ZITMEMBQRLQAHK-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@]23CCC[C@@H]2CC3)CC1	2260561024	JEZXDQKGMMAKHC-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@](C)(NC[C@]23CCCC[C@@H]2CC3)C1	2260581355	DFQRNGRVRIAKSG-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@]12CCC[C@H]1CC2	2260600642	HAVKNQQCXVFUAV-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@]23CCC[C@H]2CC3)CC1	2260645510	IRJPYEZAJUWJBZ-SOEBMCCKSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC1CC(CC[C@H](N)c2ccco2)C1	2261305583	ZNAGHWRHJQLIHK-RUXDESIVSA-N	249.398	4.522	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H](C)CC1CCC1	2298930257	JRUDNGYNWMTNKY-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@H](O)[C@@]1(C)C[C@H]1C)CCCC(C)C	2300863500	PQYFFJIVWBXADS-PMPSAXMXSA-N	238.415	4.556	0	10	BJAE	
CCC(C)=CCNc1ccccc1SC1CC1	2300870515	VGNLURUVUILFKH-UHFFFAOYSA-N	247.407	4.709	0	10	BJAE	
CCN[C@H]1C[C@H](CC=C(C)CC)C[C@@H](CC)C1	2300925938	HOJBXVCFSPXDBQ-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(O)CC1CCCCCC1	2301138586	XJQHYDFSIGBEDF-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@H](C)[C@H](C)C(C)C	2301837986	CVFZMRNZKAWGHE-OAGGEKHMSA-N	241.463	4.721	0	10	BJAE	
CCCCCCc1ccc(C(F)(F)F)c(F)c1	2302230911	MSHYWRLRBGQRKX-UHFFFAOYSA-N	248.263	4.967	0	10	BJAE	
CC1([C@H](O)CCCC2=CCCCC2)CCCC1	2302332181	SPEDZOPLSLABGI-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CN(C)CCCC1=CCCCC1	2302352446	UGXFBPMDUNIHBZ-UHFFFAOYSA-N	235.415	4.555	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@@H]2CCCC[C@@H]2N)C1	2302512786	JMQLNSKWLFIKEP-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCCNCCC(C)(C)C[C@@H]1CCC(C)(C)C1	2302760651	KKCACKYRYGCSNE-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@]1(C[C@H]2CCC(C)(C)C2)CCCN1	2302906016	SZKRWBMILRAZGU-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@@H]1CC[C@H]1C1CC1	2303061286	XPJGVQAQQNCFQP-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
CCC1(C(=O)C[C@H]2CC[C@@H]2C(C)(C)C)CCC1	2303505901	LVTYLNDILWEEPY-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303510319	ADPKOZHRRPOOOE-BFHYXJOUSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC[C@@H]1CCC(C)(C)C1	2304415068	FPSUWYINWMETKM-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCNC[C@H](CC)CC[C@H]1CCC(C)(C)C1	2304429590	YGYSFJRHGSSRTJ-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@@H](CCCC(=O)C2CCCC2)C1	2304447017	KEGMHRIPHWKQKI-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCc1ccccc1OC[C@H](CC)CCC	2307752470	RSKCUFDAYIMFDX-CQSZACIVSA-N	234.383	4.844	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)[C@@]12CCC[C@@H]1C2	2308101976	OMNWRJVDVVXGGG-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)C[C@]12CCCC[C@@H]1CC2	2313342745	REBAJMUSPCBVAJ-VMUDFCTBSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@H]1CC[C@@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313348521	IAORXKGJSXURES-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC2CC2)CC[C@H](CC)C1	2316492737	UVKDYUJZHLFDHC-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C[C@](O)(CCC1CCCCCC1)c1ccccc1	2316866276	DQVAFDAICJTEBP-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
O=C1C[C@@H](CC2CCCCCC2)CC2(CCC2)C1	2317010107	ZZSXOBYXLWAVJY-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@@H](C)[C@H](C)C(C)C)cc1C	2317857448	CWSCJWWTUDFBQF-HLLBOEOZSA-N	248.410	4.573	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1CCC2(CC2)C1	2317942950	WTAYFSFCDNTJSD-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C1=CCCCCCC1	2317965547	KQOSFEXZPKYSAE-QGZVFWFLSA-N	247.426	4.875	0	10	BJAE	
CN(CCCC1=CCCCC1)[C@H]1C=CCCCC1	2318580106	KIQHJOSRDSRTCW-KRWDZBQOSA-N	247.426	4.698	0	10	BJAE	
CC1(C)CC[C@@H](CCCC2=CCCCC2)C[C@@H]1N	2318592955	OGMRAHMXIJEEMV-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC1CC2(CCCC2)C1	2318928332	BQKIGNDUXLRVFE-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)CC2CC(C)(C)C2)CC1	2320401677	KZZKTEDCWKPBLK-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C(C)(C)C2CCC2)CC1	2320405540	BTJMJEIPJVSMJD-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H]2CCCCCC23CC3)CC1	2320408260	ISISXEBRTFBVRX-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@H]2CC=CCC2)c1	2320567538	LORLBVIRIHPGLB-AWEZNQCLSA-N	242.362	4.739	0	10	BJAE	
CN[C@H](C(C)=C(C)C)c1cccc(C2CCC2)c1	2320650689	VMYZGPWTSQYYLX-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CC[C@@H]3CCC[C@H]3N2)C1	2321645176	LRXZKQKPQKYPGM-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cc(C)ccc1C(C)C	2327691692	HPXJDNAYRAHCJJ-QGZVFWFLSA-N	248.410	4.978	0	10	BJAE	
CCCCCCc1ccc([C@@H](C)[C@@H](C)CN)cc1	2327903579	RTMZPDUNGBJDSA-GJZGRUSLSA-N	247.426	4.508	0	10	BJAE	
CCC[C@@H](CC)C[C@](CC)(CN)c1ccccc1	2328307775	URMQUNCWHZCLCP-NVXWUHKLSA-N	247.426	4.510	0	10	BJAE	
CCC(CC)Nc1ccc(OC2CCCC2)cc1	37016017	HIGSONWKFLMOAP-UHFFFAOYSA-N	247.382	4.609	0	10	BJAE	
CCCCCCOc1cc2ccccc2cc1O	37324373	ZTXLUAFJYUAIPL-UHFFFAOYSA-N	244.334	4.505	0	10	BJAE	
CCCCC[C@H](C)NC1CCC(C)(C)CC1	70654024	LYXUCRRUJYFLSN-ZDUSSCGKSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)CCC(C)CC1	71084797	XCUNZMYEJCQYLR-SHARSMKWSA-N	226.404	4.534	0	10	BJAE	
CSc1cccc(N[C@@H]2CCCC(C)(C)C2)c1	83783210	XHHFVYYHZLPJPN-CYBMUJFWSA-N	249.423	4.789	0	10	BJAE	
C[C@@H]1CCC[C@H](CNc2ccc(Cl)cc2)C1	84340461	UUCJPEIOBWQYJJ-NEPJUHHUSA-N	237.774	4.578	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Oc1ccccc1Cl	85149815	BUKCGPLNDBKAGQ-YPMHNXCESA-N	238.758	4.688	0	10	BJAE	
c1ccc2c(OC3CCCCC3)cccc2c1	85152051	FVYLLEKHRHXQKV-UHFFFAOYSA-N	226.319	4.551	0	10	BJAE	
CCCCc1ccc(-c2cccc(F)c2F)cc1	90428885	FZNXYQURYFBYLW-UHFFFAOYSA-N	246.300	4.974	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](N)(CC)c1ccccc1	109706332	VOGJALQQJBFLTN-WBVHZDCISA-N	247.426	4.857	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C1CCCCC1	109726787	UIQMEPMSWYVUNM-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@H](N[C@H](C)c1cc2ccccc2o1)C(C)(C)C	122465733	CWALSANZHNGJEL-NEPJUHHUSA-N	245.366	4.518	0	10	BJAE	
CCCC[C@H](NCC)c1cc2cccc(C)c2o1	127311536	BCHFRJMCMRLLKR-AWEZNQCLSA-N	245.366	4.582	0	10	BJAE	
CCCCC[C@@](C)(O)c1ccc(C(C)C)cc1	132811937	NKQSZPOCTLTHES-MRXNPFEDSA-N	234.383	4.598	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C(C)(C)C(C)(C)C	140320301	BDJFEVCOWJKPFZ-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
Cc1ccc2ccccc2c1C(=O)[C@@H](C)C(C)C	160830856	OQOXKMVNTVYWHG-ZDUSSCGKSA-N	240.346	4.623	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H]2CC[C@@H](CC)C2)c1	165549668	OXSXVMISPCTYOJ-CZUORRHYSA-N	244.378	4.648	0	10	BJAE	
CC(C)CCCC(=O)C1(c2ccccc2)CCC1	165705286	CVIICTPSGGWYNR-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC[C@H](C)C[C@@H](N)c1ccc([C@@H](C)CC)cc1	167217759	ZRDUJIHXVIBQRL-HEHGZKQESA-N	233.399	4.636	0	10	BJAE	
CC1=C(C)[C@]2(c3ccccc3)CC=CC[C@@]12C	206581151	JYNDXLAKZXPIKZ-IRXDYDNUSA-N	224.347	4.631	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@H]2C(C)C)c(C)c1	214447966	XGEXBTWDDXBVGU-RDJZCZTQSA-N	245.410	4.930	0	10	BJAE	
CCC1CCC([C@H](O)c2c(C)cccc2C)CC1	215915286	GDOHJEJXFLSACC-DQPZFDDXSA-N	246.394	4.553	0	10	BJAE	
C[C@H](F)C1(c2ccc(Cl)cc2)CCCC1	220501322	IUBJAZZTRBOHKX-JTQLQIEISA-N	226.722	4.510	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CC2CCCCC2)C1	227389513	PRIXHVQALQAIQT-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCCC1CCC([C@H](N)C(CC)CC)CC1	228690034	GEVZGYVEIIRLSX-AVVWSFFYSA-N	239.447	4.747	0	10	BJAE	
Cc1cc([C@@H](O)C[C@H](C)CC(C)(C)C)cs1	228754436	XHNFNZSMOSYXPC-GWCFXTLKSA-N	240.412	4.552	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](O)CCC2CCCCC2)C1	228760904	AUDUROZHUVGYJE-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCC(C)C)C[C@H](C)CC(C)(C)C	229179992	CHXVQLHXGRXRSA-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC(CC)CC	229445355	MERUGVDKQFONBF-CYBMUJFWSA-N	212.377	4.598	0	10	BJAE	
CCC(=O)c1ccc(N[C@@H](C)C(CC)CC)cc1	232896949	CPNAQJWYIPVADT-LBPRGKRZSA-N	247.382	4.516	0	10	BJAE	
CCC[C@@H](CC)Nc1c(C)cc(C)cc1C	233288650	DFATVWZJEZUOFK-CQSZACIVSA-N	219.372	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@H](C)C(C)(C)C	253031766	GLEKLOZQIIAWLB-LJISPDSOSA-N	239.447	4.602	0	10	BJAE	
COc1ccc(C(F)(F)C(C)C)cc1C(C)C	258954749	FQOMWUFKHVMQSX-UHFFFAOYSA-N	242.309	4.566	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@@H](C)CC(C)C)c1	300977445	SWZDYTVKTFXCEA-LBPRGKRZSA-N	239.790	4.743	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)C[C@@H]1CCCC(C)(C)C	302275673	ICAXRPNKJUGFPO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CC(O)(CC(C)C)CC(C)C	302293501	GQDSFWUMTOZCLA-HNNXBMFYSA-N	242.447	4.882	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1CCC(F)(F)C1	304189757	QXGOUFMLCLBXEI-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)c1cc(C)c(C)o1	306025269	OSEODWZDSNUREN-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
Fc1cc2c(C(F)F)csc2cc1Cl	306935506	IFRWJQCTRAGOGA-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)C[C@@H](C)C(C)(C)C)C1	310103536	CFMZRJBYEJLSEC-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)N[C@@H](CC)c1cccc(C)c1	310234741	RCXVVYZGWAGISJ-HOCLYGCPSA-N	233.399	4.614	0	10	BJAE	
Cc1cc(F)cc(N[C@@H](C)CCC(C)(C)C)c1	310258377	JSBBDOMLAICMDP-LBPRGKRZSA-N	237.362	4.761	0	10	BJAE	
CC[C@H](C(=O)CCC1CCCC1)c1ccccc1	310630373	ITWLJIJJPOUBBS-INIZCTEOSA-N	244.378	4.720	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H]1NCC12CCCCCC2	311048917	HYEYCCULYWTMSP-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)CC)CCC[C@@H](C)C1	317560539	MAEIZAPLHRPHGZ-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@H](C)[C@H](C)CC)CC1	319663177	QBHBWFAPOLDGAO-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1csc(Cl)c1	379001762	WTWZOJOAQYIXQS-JTQLQIEISA-N	246.803	4.651	0	10	BJAE	
Fc1ccccc1N[C@@H]1CCCCC12CCCC2	380930378	HOCFWVVPEWYYGF-OAHLLOKOSA-N	247.357	4.741	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@H]1CCC[C@@H]1C	383225016	GJCVFMSYXNBQMO-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@]1(C[C@@H](C)C2CCCCC2)CCCN1	383678404	QCEGIWXVXOSLLN-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC([C@@H](N)CC2(C)CCC2)CC1	383725508	WBPNSDLEMFFIGO-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@H](CNC2CC2)C2CCCC2)CCCC1	394488513	IXOICFXMCXVFOX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](CCCCNCC(C)C)C1	394503720	AOUDUUJYSAKNNY-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](C[C@@](C)(O)C1CCCC1)C1CCCCC1	395670230	LVIGSONOMRURBC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCc1csc2c(C(F)F)ccc(C)c12	396194015	BBSLEKBXPKXFEX-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
Cc1ccc2cc(C(F)(F)F)sc2c1S	396289701	AHNAYNPYMIECCW-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCc1cc2sccc2c(C(F)(F)F)c1C	396311033	WGMXQMBTKKAEOQ-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCC[C@H](Nc1cc(C)ccc1C)[C@H]1CC1(C)C	397577221	DSLNCXBTSOPZJT-CABCVRRESA-N	245.410	4.930	0	10	BJAE	
CC[C@@H](Nc1ccsc1Cl)[C@@H]1CC1(C)C	397716244	UUTVNZKSZKDXBK-DTWKUNHWSA-N	243.803	4.638	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1CC=CCC1	402117216	AIIWYXAYSJPTKM-AWEZNQCLSA-N	230.351	4.545	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)C1CCC(C)CC1	402150464	MFBFFUSGXXUIMO-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1coc2ccccc12	404664165	XZCHIBACVVKECQ-HNNXBMFYSA-N	246.350	4.683	0	10	BJAE	
C[C@@H](C[C@@H](O)CCC(C)(C)C1CC1)C(C)(C)C	405986929	FHSFDHZUSZEQLB-JSGCOSHPSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CCN[C@H]1C[C@H](C)c2ccccc21	686308687	HAYYUFMBEJJQLB-BBRMVZONSA-N	245.410	4.651	0	10	BJAE	
CCc1cc(C)cc(CC)c1NCC1(CC)CC1	687551899	YUVASASOUNVWBG-UHFFFAOYSA-N	245.410	4.722	0	10	BJAE	
c1cc(C2CC2)ccc1NC1CCCCCC1	690079897	VSROBBHUEOFQQF-UHFFFAOYSA-N	229.367	4.699	0	10	BJAE	
Cc1cc(N[C@H]2CCC2(C)C)cc(C)c1Cl	690258359	MUYSJFHMFGWYPR-LBPRGKRZSA-N	237.774	4.557	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCC(C)(C)C(C)C	691096691	CDMGUGUUFVAMOA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(=O)[C@H](C)c1cc2ccccc2s1	695064310	QCGQDLBODFDCME-NSHDSACASA-N	246.375	4.620	0	10	BJAE	
Fc1ccc(NC2CCC(C3CCC3)CC2)cc1	696061794	LAPDSYIRONRYDY-UHFFFAOYSA-N	247.357	4.597	0	10	BJAE	
CCCCC[C@@H](C[C@@H](CC)CC(F)F)NCC	701539393	UIYCQZSXINBXBG-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)c1ccc(Cl)s1	704610016	HMSWQAOCYMRHNL-LDYMZIIASA-N	246.803	4.507	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H](C)C2(C)CC2)CC1	706953781	BMZDPBLXCUQIQO-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(C[C@@H](C)CC(C)(C)C)C1	709077342	IUQTVEIJPQWIFI-SQWLQELKSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC1CCC(C)(C)CC1	710133295	YJWHOTOEGNJIAM-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1cscc1Cl	710426291	OTCNGSIQBBIMHN-GFCCVEGCSA-N	246.803	4.651	0	10	BJAE	
C[C@H](C[C@H](N)C1CCC(C)(C)CC1)C(C)(C)C	710779507	VVOHQOUSWSYEQZ-OCCSQVGLSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@H](C)C(C)(C)C	711154780	NHPCBUNHKLKBOW-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1C[C@H]2CCCC[C@H]21	712510775	SQCBJJZHBNTWIE-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C[C@]2(N)CC[C@H]3CCCC[C@@H]3C2)C1	723640406	XJYRWIFRIKXTDT-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C[C@]2(N)CC[C@@H]3CCCC[C@H]3C2)C1	723640410	XJYRWIFRIKXTDT-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)CCCC(C)C	1183573101	QPEZFPFPXNRHCQ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Clc1ccc2c(c1)CC[C@H]2SC1CCC1	1652848744	HPJBKBWRCMMBGZ-CYBMUJFWSA-N	238.783	4.613	0	10	BJAE	
CCC1(C)CCC(N[C@H](C2CCC2)C2CC2)CC1	1658272610	ACJGSLYJUWCEOF-AQFXKWCLSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCC[C@@H](C)CC1	1900694802	CCZZOTMEXOAVCY-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@](N)(CC)CC[C@H]1CCC(C)(C)C1	1903404211	OZFFTEDNDLUELX-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCCC[C@H]1C	1905364513	ZBGBDJNHOVXJIC-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC1(O)CCC(CC)CC1	1905387044	GMRMLXPPRUQCCQ-SLTAFYQDSA-N	226.404	4.534	0	10	BJAE	
CCCC=CCN[C@@H]1CCCCC[C@@H]1C(C)C	1914680492	SUJRRCXDPOHGLK-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C[C@H]1CC[C@@H](C)CC1=O)C1CCCCC1	1916065576	CWQKJBPDGGCKJW-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]1CN[C@@H]1CCC2(CCCC2)C1	1916400113	MWJODHGZOXDMFQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CCC[C@]1(CNC2CC2)C=CCCC1	1916565378	SEFKAYHBIMSWSS-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)NC[C@]1(CC2CCCC2)C=CCCC1	1916570393	ZSDMXYOHNBANPX-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C1CC(C(C)C)C1	1921163126	FMOILHBUDZGCKS-MQBCKMQZSA-N	246.394	4.526	0	10	BJAE	
C[C@](CO)(CC1CCCCC1)C1CCCCC1	1923912279	ATYWNXYZKSOGNE-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@H](C)C1CCCCC1	1924137968	FXQRMJKPQFVHHL-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCCC1)C1(C)CCC1	1925898000	LRGMPFNAYWUYTE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1csc(Cl)c1	1933587126	JBIIFMQJMMPBRK-JOYOIKCWSA-N	246.803	4.507	0	10	BJAE	
CC(C)=C(C)CCC1CC(C(F)(F)F)C1	1933652356	QKMCQMLUHZUVSG-UHFFFAOYSA-N	220.278	4.711	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@H](CC)C(C)C	1936212565	OIAHSBLYTODJMN-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)c1sccc1C	1937270233	WLGCVKBNPVFAMQ-AAEUAGOBSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@@H](C)C(C(C)C)C(C)C	1940253752	RBKADVPJGPBGPB-HOCLYGCPSA-N	241.463	4.575	0	10	BJAE	
CC1(CCCNc2cccc(C3CC3)c2)CC1	1940871361	CATSCYZECHCFDF-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCCC1CCC(NCC(C)(CC)CC)CC1	1941357256	GOTXTGXPGFXALW-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCCCCC(=O)c1cccc(C2CC2)c1	1941533500	WRLVKYIKUOBTBP-UHFFFAOYSA-N	230.351	4.717	0	10	BJAE	
CN[C@H](CCCCCC1CC1)CCC(C)(C)C	1941588112	YPXBKHFXICODQG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)CCC(F)F	1942312315	XMYCJWMHXIIKLY-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)C[C@H](N)[C@@]12CCCC[C@H]1CCC2	1944156353	OVWBBSZHIYYGRQ-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](CC)(CCC(F)(F)CC)CNC	1947889136	SFZQPDWVACBHNT-ZDUSSCGKSA-N	249.389	4.618	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(O)CCCCC12CCC2	1947913533	JQLMQBSETWYTED-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@]2(N)CCC[C@H](C(C)C)C2)CCC1	1948980993	IBQMNTCDUYQNAA-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CCC1=CCCCC1)C1CCCC1	1949041912	UXLIAGQUUQETMC-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@H]1CCC(C)(C)C1	1949552312	QFZKHRLMLACYID-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)C=CCCC1(C)C	1949663509	XFYVKWDDOATVBP-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@@H](O)[C@@H]1CCCC(C)(C)CC1	1950913116	DTNTVBGNYNJTRK-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)[C@H]1CCC[C@@H](C)CC1	1950929934	LGOPPHWYPPVFNU-UGUYLWEFSA-N	239.447	4.602	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@@H](N)CCCC(C)(C)C	1950970350	IAXMOMVREKMFIS-QLFBSQMISA-N	237.431	4.523	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CC(CC)(CC)C2)C1	1963220408	NEPPXTPCCKAITP-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)CN1CC[C@@H]1CC(C)(C)C	1966537393	UTZIEODBNWFYBV-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
Cc1cccc(NC2C[C@@H]3CCCC[C@H]3C2)c1C	1968250781	SWIVDCIGRFLWKD-GJZGRUSLSA-N	243.394	4.684	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCC2(CCC2)C1	1968286544	YBMLIMXYHNLGOL-GFCCVEGCSA-N	249.785	4.783	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](C)C(C)(C)C	1969039680	FEVMGPLJOPQLBD-KBPBESRZSA-N	227.436	4.569	0	10	BJAE	
CCC1(C)CCN([C@@H]2CCC3(CCCC3)C2)CC1	1969173699	VSRYVVYOIWTXIF-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCc1cc(N[C@H](C)CCC2CC2)ccc1C	1969681912	XWKLEWMIAVKUHM-CYBMUJFWSA-N	231.383	4.548	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H]1C1CC1)C1CCCCC1	1973479659	RAUBQBSWMYBNEB-YESZJQIVSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCCC12CCC(CC1)C2	1973948340	GPUYIWJTTLQRNH-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
c1cc(NC2CC3(CCCCCC3)C2)cs1	1978749582	HHIAKPAPDUHEEK-UHFFFAOYSA-N	235.396	4.663	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@H]1CCC[C@H](C)C1	1980277652	UFOQJBJYETZFPV-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CC(C)=C(C)CCC(=O)CC1(C)CCCC1	1980380146	JFVWDSIGNLETLR-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CC[C@@H](C)[C@H](C)CC(=O)c1ccc(Cl)cc1	1980685455	RPIFJQOKFRKHFV-GHMZBOCLSA-N	238.758	4.595	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CC1(CCC)CCC1	1988464806	TYRSDIDZMVXNCX-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)[C@@H](CCC)NCCC	1990093222	IVMVOCOSRHNCNG-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
C[C@H]1CC[C@@H](CNc2ccc3sccc3c2)C1	1996223193	QCMNTCDZIWXYEU-NWDGAFQWSA-N	245.391	4.749	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)[C@@H]1CCC(C)(C)C1	1996611714	DUDKVSAXHARIHY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)NC[C@@H]1CCC[C@@H](C)CC1	1997105550	NMTFZYDBPDPRQZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCNC[C@@H]1CCC[C@H](C)CC1	1997117224	PNJRFRSWZFFOJL-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC(F)(F)C1=O	1997566938	JYTPFKWRZSZNNT-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CCC=CCCC1)C1CCC1	1999988890	UXAJLZPDYQTRNR-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)c1ccc(Cl)cc1	2000292180	ATNHDNDQMRIQQH-FZMZJTMJSA-N	248.753	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)c1cccc(Cl)c1	2000294319	RGDCERBNYKBIDU-FZMZJTMJSA-N	248.753	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)C1CCC(C)CC1	2000322367	GTURKJWFAFJFML-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C1(C(C)C)CCC1	2000371289	HEPYHFAOXLWLDP-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(F)(F)CCCC(=O)[C@@H]1CCCC(C)(C)C1	2002993016	HMNWSLSQQLUPOH-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](C)NCCC)CC1	2003069325	WNJURZPLXQNJII-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCCCCC[C@@H]1N	2003118635	SHKUTOIYPVEHES-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CN[C@H]1C[C@@H](CCCCCC(C)C)C[C@@H](C)C1	2006621477	BALQDWGCDHXDBA-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CC(=O)[C@@H]2CCC[C@@H](C)CC2)C1	2007771183	OPTWVTROLNUQFX-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC=C1CCCCC1)c1cccs1	2007933933	FGTUOGHSKTVFOY-AWEZNQCLSA-N	249.423	4.679	0	10	BJAE	
CC1(CC[C@H](O)C2(C)CCCCCCC2)CC1	2009539773	HLDHFUWDTYOHMT-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](C)CC[C@H]1NCCC	2009628371	NKFGXOJLRRIYDV-DEOFCCLISA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC=C(CC(=O)CC2CCCC2)CC1	2010781469	JEKQZUFTRKJFCW-CYBMUJFWSA-N	234.383	4.662	0	10	BJAE	
C[C@H](C[C@H](N)CCC[C@H]1C[C@H]1C)CC(C)(C)C	2011583387	IQBZYWCBHYAPKB-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)C(=O)CC1CC2(C1)CC(C)(C)C2	2011848318	UBIFCEVEPVLKAQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C[C@@H](C)CC(C)C	2013309972	VADNOYVYRKNXPP-JKSUJKDBSA-N	241.463	4.815	0	10	BJAE	
CC(C)C(CCN(C)CCC(C)(C)C)C(C)C	2015392268	NDNUGTAIIIJNFH-UHFFFAOYSA-N	241.463	4.673	0	10	BJAE	
CCCN[C@H](CC1CC1)CC1(CCC)CCC1	2015643041	XSDDQGBFDIZEFP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@]1(C)C[C@@H]1C	2016459340	DDTCMGPJMDDJSP-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CNC)C[C@H]1CC[C@H](CCC)CC1	2017729664	YZBNIMXXOHWJBB-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCc1cc(N[C@H](C)C(C)(C)CC)ccc1C	2017745618	CGNQCTRRXZNOEJ-CYBMUJFWSA-N	233.399	4.794	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC[C@H]1CC1(C)C	2018184358	GYZHZJPWWJOVFT-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CC2(CC)CC2)CC1	2018966614	CMXUGXYMYMHLAX-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCC1(C[C@H](O)C(C)(C)C2CCCCC2)CC1	2018966864	FPMRSPOTACKMCG-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@H](C)C(C)(C)C)CC1	2018996157	SMLUGAUKPBDHIT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCN1CC[C@@H](C)C(C)(C)C1	2019344317	LQYSGJBHFVLAFK-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CCN(C[C@H]1CC[C@H](CC)CC1)[C@@H](C)C(C)C	2019484851	WODYWEFCSYRVEO-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@@H](CCC[C@H]2CC2(C)C)C1=O	2020392188	NCQYUUWYEIQPJI-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)CC1CCCCCC1	2022561675	XAVXRZDLRPYXHC-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@]1(O)CCC[C@@H]2CCCC[C@H]21	2022994276	PXKHHJYNFWFJLB-ARFHVFGLSA-N	238.415	4.534	0	10	BJAE	
CCNCC(CC)(CC)CCCCC(C)(F)F	2023287290	GYNNNLYCPRQDLX-UHFFFAOYSA-N	249.389	4.618	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCCC)C1CCC1	2026075354	VHEUNYSNXBNQRQ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CC1CC(C)C1)c1ccccc1C(C)C	2027590988	OMPAKALOSKCWET-MQBCKMQZSA-N	245.410	4.507	0	10	BJAE	
CC(C)c1ccc(CC(=O)CCC2(C)CC2)cc1	2027732039	KALZZQLLTZMNSN-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@H]3CC[C@H]32)cc1	2027990934	KPEXMWFZARZLJN-DAXOMENPSA-N	243.394	4.585	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccccc1C1(C)CC1	2028572363	BZBGJVPCCWRPBJ-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](N)(CCCC2CCC2)C1	2030285865	BMAQBAGQDPYOJM-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC1(CN2CCC3(CCCCCC3)C2)CCCC1	2032390563	DBBOBNNLVWONLC-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1[C@H]2CCCC[C@H]21)C1CCCC1	2032819512	HEQAJDMGTVIGDI-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C(C2(N)CCC3(CCCC3)CC2)C1(C)C	2034038986	DTNQQCDXPBQEAO-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)c1	2034260319	DJXIORSNZUYGND-APHBMKBZSA-N	247.357	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C[C@H]1C=CCC1	2035597827	HUCVGKSPYPXEEV-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCCC2)CC[C@@H](CC)C1	2035599980	KGHRQLBZBJYTRO-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C[C@H]2CCC[C@H](C)C2)c1	2037048587	PMZZLKNTZOERME-NUTKFTJISA-N	245.410	4.520	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCCCC12CCCC2	2037172164	RTBUUDMNQQUCIG-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)[C@@H]1CCC2(CCCC2)C1	2037679724	UABJIRAVBXGSPY-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1[C@@H]1CCC(C)(C)C1	2037693847	JORUVYKNNDSYNP-XJKCOSOUSA-N	243.394	4.658	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2CC23CCCCC3)CCCCC1	2039082420	QGHQIDMGERNCBV-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCC2(CCC2)C1	2041297807	XDPLWYNCRGNPHW-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](CC1CCC(C)CC1)[C@H]1CC=CCC1	2042024292	KHXDCVWULXSXNW-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1CC[C@H](C[C@H]2CCC=CCCC2)[C@H]1C	2045326693	PPWOCEHHDVOVPK-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@H]1CC(C)=C[C@H](C)C1	2045689324	DUSSEDDPBQMEHF-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](N2CCCC23CCCCCC3)C1	2046563168	BQBBCESGBFBTCW-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@H]1CC12CCCC2	2047015567	JWMGGWDXVXQCGO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2CC23CCCCC3)c1	2047056933	WWFPJIRBUYMLAU-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
C=CC=CCCN(C)[C@@H](C)C1CCC(C)(C)CC1	2049476038	MQBAJGADUYJBPK-HNNXBMFYSA-N	249.442	4.655	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@H]2CCC3(CC3)C2)CC1	2049848366	IPHDJHMTPWFLEJ-KNIAUWFNSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CC2CCC3(CC2)CC3)cc1	2049948056	MJGXRPIMMXKRLP-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(C2CC2)cn1	2052659203	VLPWVKXQEYVWBJ-CYBMUJFWSA-N	246.398	4.730	0	10	BJAE	
C[C@H](CN[C@@H]1C=CCCC1(C)C)C1CCCCC1	2055532887	QOHHSXVOVRPRKH-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@@](N)([C@H]2CCC3(CCCC3)C2)CCC1	2055594310	CYUSUCYBCRGRLL-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H]1CCCCC[C@H]1C(C)C	2055672523	UJGGYCOOEZSUHY-ULQDDVLXSA-N	249.442	4.680	0	10	BJAE	
CCC[C@H]1NCCC12CC1(CCC(C)(C)CC1)C2	2058474691	DPFQGNPDGLTVSB-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H]1NCCC12CC(C1CCCCC1)C2	2059467212	OTJXQZYHBXWDPH-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C1=CC[C@H](C)CC1	2060922015	OXAKGCFXKSNENQ-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1CC1)C1=CC[C@@H](C(C)C)CC1	2061088502	NHQKCDRAYRQCNQ-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)C2(C)CC(C)(C)C2)CC1	2061114879	BXAVXXGNIYMFFV-ZFWWWQNUSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CC(C)(C)C2CC2)NC)CC1	2061148637	WMNRTFUUFDBPRO-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1CC(=C2CCC2)C1	2061253117	USQGYRRQTBFWEI-DYVFJYSZSA-N	247.426	4.578	0	10	BJAE	
CCNCC1(CC[C@@]23CCC[C@H]2C3)CCCCC1	2061616304	ZPILPUIDRJQIPA-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](C[C@@]12CCC[C@H]1C2)C1CCCCCC1	2061616346	JEFSUCFJAJTBNL-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)CC[C@]12CCC[C@@H]1C2	2061636971	GPFGSBBMFJVRMG-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC2CC(=C3CC3)C2)C1	2061704457	RIBFFYZVEWUVJO-LRDDRELGSA-N	246.394	4.662	0	10	BJAE	
CC[C@H]1CC[C@@](N)(CC2CC3(C2)CC(C)(C)C3)C1	2063204935	VPVRNKZHWUCDOZ-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CCCC1CC(C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063423252	JBILLARAXXJSCI-KVXYAPCNSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H]1C[C@H](C2(C)CCCC2)C12CCCCCC2	2067498497	MMBWPZDLYMWLJW-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)C[C@]23CCC[C@H]2C3)C1(C)C	2070956424	VWAFBJYZLTWEAD-DLTLXFJOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CC)C1=CC[C@@H](C)CC1	2071509026	ZXNLJSGTIHZELU-TXCZRRACSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](CC)CC1)C1CC=CC1	2072790345	FRSPNQAFNYRNKL-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCNC3(CCC3)C2)CC1	2072810985	AGQDEXLBRQNXPI-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C=C2CCNC[C@H](C)C2)CC1	2072818271	LGBBXJUCDAWTFI-QQFBHYJXSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@@]23CCCC[C@H]2C3)CC1	2074091888	SQPORCTZGPEWDP-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@H](C)c1ccccc1	2074790644	VSWKLCNAUPVDKR-OAHLLOKOSA-N	247.426	4.896	0	10	BJAE	
CCC1CCC(N2CC=C(C(C)(C)C)CC2)CC1	2074860610	VQPDJYWIWMMZPI-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C[C@@]2(C)C=CCCC2)C1	2074890764	CDJBFWJORARAIR-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1c(C)cccc1F	2075980946	MVMGHDPEJMFCLT-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
CN[C@H]1[C@@H](C2=CCCCCCC2)CCCC1(C)C	2076401515	LZWIUSWLAPRKOO-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CC[C@@H]3C[C@H]3C2)c1	2077262667	XIAAHIYHKNITOA-QLFBSQMISA-N	241.378	4.555	0	10	BJAE	
CC[C@H](Nc1ccccc1C1CCC1)[C@@H]1C[C@@H]1C	2077264702	YRHIUSGBDDRLQS-MAZHCROVSA-N	243.394	4.801	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H]2C[C@@H]2CCC)cc1	2079491595	KIRORZXXUSIZFA-JKSUJKDBSA-N	244.378	4.648	0	10	BJAE	
CC[C@]1(C[C@H]2C[C@@H]2C2CCCC2)CCCCCN1	2079632965	LBGCAQPZQMBPKE-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)C[C@@H](C)C(C)(C)C)c1	2082945154	SLXDEIFLLJYTKX-CJNGLKHVSA-N	248.410	4.718	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)c1cccc(C(C)(C)C)c1	2083553474	BJENNBVPDMUYET-HNNXBMFYSA-N	248.410	4.700	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)C[C@H]1CC12CC2	2086354819	OJBBQYZNXDHMFH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C[C@@H]2CC23CC3)cc1	2086418725	PKJKKOFDNPPBKD-SWLSCSKDSA-N	242.362	4.573	0	10	BJAE	
CC[C@H](C)[C@](C)(N)CCCCCCC1CC1	2210526243	BOWFWQNHTGCKQD-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CN[C@H](CCCCCCCC1CC1)CC(C)C	2213575154	CFILOCOVVISGLD-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CCCCCCC1CC1)[C@H]1CC[C@@H](N)C1	2213576741	UFJTYDKPWXCXSL-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC[C@](C)(NCCCCCCC1CC1)C1CC1	2213581861	BGKLAYVZANDAPF-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1CCN(C)CCCCCC(C)C	2215338028	FDXNDSJUEFSPJL-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
C[C@H](CC1(C)CC(C)(C)C1)c1cccc(N)c1	2215395093	JSBTWMGORXVYEC-GFCCVEGCSA-N	231.383	4.589	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCCC2(C)CC2)CC1	2215824742	WVRANGBIBWSDAG-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
C[C@H]1NCCC[C@H]1CCCCCCCC1CC1	2216878691	DUXZSWONKYNZDR-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)C[C@H](C)C(C)(C)C	2217146690	BZEGXBWTGHELPE-ZNMIVQPWSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@H](C)C[C@H]1CCCC(C)(C)C1	2217149051	GXYGOOGLBZRCPT-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@]1(CN[C@@H](C)CC)CC12CCCC2	2217157800	VYKSTXVFZVVADD-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@H]1CCCC1(N)CCC(C2CC2)CC1	2218888027	WQUJIKTXWMHZJJ-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](NC1CCC(C2CC2)CC1)C1CCC1	2218892894	BRPIBCPKDQZJGF-PREGVCBESA-N	249.442	4.514	0	10	BJAE	
C1=C[C@H](Cc2cc3ccccc3cn2)CCCC1	2220441066	DWIDOHJJUQJFOM-AWEZNQCLSA-N	237.346	4.524	0	10	BJAE	
CCCNC[C@]1(CC[C@H]2C[C@H]2CC)CC=CCC1	2220854802	YJBGQIGLVUOAHP-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCN[C@@H]1CCCC2(CCCC2)C1	2220922877	GAZUFRFIGKYVHH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1([C@H](N)CC2(C)CC3(CCC3)C2)CC1	2221033635	NYKVELCOFKUMBI-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@@H](N)CC1(C)CC(C)(C)C1	2221082396	AGRMQUXYONZWNJ-ILXRZTDVSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](C[C@@H](N)c1c(C)cccc1C)C(C)(C)C	2222014492	RPWFNRWZRDJRLT-HUUCEWRRSA-N	247.426	4.766	0	10	BJAE	
O=C(C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCCC1	2222948210	GKTLZTQMZJUTPG-IJEWVQPXSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCc2c(C)cccc21	2223573045	OWYFPSAUHHJKPV-PBHICJAKSA-N	245.410	4.541	0	10	BJAE	
CC(C)CC[C@]1(CNC2CCC2)CC=CC[C@H]1C	2223598282	SQOZVAADFIGKDZ-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC(C)C)c1ccc2occc2c1	2224131466	QSXJDTXCPWYNTE-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
Cc1ccn([C@H]2CC(C)(C)CCC2(C)C)c1	2245468424	SQVGRQXSTYXNMY-ZDUSSCGKSA-N	219.372	4.574	0	10	BJAE	
CCC[C@](O)(CC)CC[C@@H]1CCCCC12CC2	2246641257	DGGKCTAPSXCRDY-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@H]1CCC1(C)C	2247307577	NHFBUDHMQMVOLH-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC2=CCCCC2)CC1	2247468202	KWXLLSOUMYKTTH-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCNCC(C)(C(C)C)C(C)C	2248362353	ULMUNBNOOZYEPY-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](O)[C@H]1CC1(C)C	2250478114	FKSCWMVKDUNJPZ-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@]23CCC[C@H]2CC3)s1	2251163606	RGIGMIMREATVQD-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@](N)(CC)C[C@]12CCCC[C@@H]1CC2	2251193164	DMEGENIIEJHULO-BZUAXINKSA-N	237.431	4.645	0	10	BJAE	
CC(C)=C(C)CCCc1ccc(C)c(F)c1F	2251386440	JWKBHAUJLWJAHX-UHFFFAOYSA-N	238.321	4.952	0	10	BJAE	
CCC/C=C/CN[C@@H]1CC(C)(C)CCC1(C)C	2251674417	NQJWKZHLFHPHBF-MYSGNRETSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1[C@H](C[C@H](C)CCC)CCC1(C)C	2251712527	NOABNLPAOGWLEV-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C[C@@H]1CCCCC12CC2	2253782836	PNDHQXMUCSLVLQ-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)CC[C@H]1CCCCC12CC2	2253792193	KCUYCGYUAWAJJE-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC1(C)CN[C@H](CCC[C@@H]2CCCCC23CC3)C1	2253887497	WTNFHDAXFKVWOR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(NCC[C@H]2CCCCC23CC3)CC1	2253895081	QQTMRASWYXLWDL-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
Cc1cc([C@H](N)CC[C@@H]2CCC[C@@H](C)C2)oc1C	2253938062	KPHNQMJBBKSQAR-BYCMXARLSA-N	249.398	4.503	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)CC12CCC(CC1)C2	2254528997	GTLSYAQLXHWVTC-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@]12CCCC[C@H]1CC2	2260488368	IIZHWGBWDYRMRO-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@]12CCCC[C@@H]1CC2	2260503092	BGJHCTIEPKRDHX-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCC1(Nc2ccnc(C(C)(C)C)c2)CCCC1	2260742091	IDEIGTZUMNNTHZ-UHFFFAOYSA-N	246.398	4.514	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](N)C1CCCCCCC1	2298858101	LYBBUFUZCQJSKF-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)CC1CCCCC1	2300682841	CQKVUBNUJRLIMA-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CCN1C[C@@H](C(C)C)CC[C@H]1C	2300683498	KHWLNIPFDKNLGQ-ZBFHGGJFSA-N	239.447	4.569	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@H](C)C(C)(C)C	2300687564	DHCWNHWCQANHPO-DZGCQCFKSA-N	241.463	4.863	0	10	BJAE	
CCC(C)=CCNC1CCC(CC)(CC)CC1	2300862020	YVXQDZNSZRGNMI-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC(=CCC(C)(C)C[C@H](C)O)CCCC(C)C	2300864415	AFRGDLQUGWDXPN-HNNXBMFYSA-N	240.431	4.946	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1CCCC(C)(C)CC1	2300871838	JORDSTCWKBKMOE-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@H]1CCCC(C)(C)C1	2300875008	QKYOUDPANSMKNO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1ccccc1C(C)C	2300875220	SJAGOGCPLNWHSV-MRXNPFEDSA-N	231.383	4.556	0	10	BJAE	
CCC(C)=CCC(=O)C[C@H](C(F)F)C(C)(C)C	2300922028	VOUIXDWUQUHROS-GFCCVEGCSA-N	246.341	4.619	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@H](C)[C@@H](C)C(C)C	2301841053	SEFCFEWIYFJLOX-ARFHVFGLSA-N	241.463	4.721	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)[C@@H](C)[C@@H](C)C(C)C	2301952478	JATMBDAJWAONBK-OFQRWUPVSA-N	242.447	4.594	0	10	BJAE	
FC(F)CCc1ccc(-c2ccccc2)cc1	2302276546	UMKQHPQVIGMQLO-UHFFFAOYSA-N	232.273	4.551	0	10	BJAE	
CCCC1(NC[C@H]2CCC(C)(C)C2)CCCC1	2302674854	FQUIBLNEHCSQPW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@H]1CC[C@@H]1C(C)(C)C	2303493973	DJFODNZIBAIHRU-ILXRZTDVSA-N	239.447	4.569	0	10	BJAE	
CCCCCCc1nc(C2CC3(CC3)C2)cs1	2304394674	SVFIHPRRQXOHAQ-UHFFFAOYSA-N	249.423	4.924	0	10	BJAE	
C[C@H]([C@@H](N)CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304432951	ZMKUTPLACUXJEJ-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1ccc(C)cc1C	2307842193	IAYIFEZQHMIBLG-HOCLYGCPSA-N	234.383	4.553	0	10	BJAE	
CCCC1CCC(N[C@H]2CCC[C@@H]3CC[C@H]23)CC1	2309517489	GOOJMMDQWFFRGB-BHIOZNAESA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@@]12CCCC[C@@H]1CCC2	2311610121	DKIDRYAXSUTEEP-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1CCC[C@@H]2C[C@H]12	2312333036	VWBMBVWCBWGYAC-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@@H]2CC[C@H]1C2)CC1CCCCC1	2312880908	TWLRZNKIXZZEQP-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H](C)[C@H](C)C(C)C	2317827949	OSRVBJMMZOSNKE-ZIAGYGMSSA-N	246.394	4.921	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H](C)[C@@H](C)C(C)C)cc1	2317990352	OXJAZBFRACCJRW-UONOGXRCSA-N	246.394	4.921	0	10	BJAE	
C[C@@H]1[C@@H]([C@@]2(N)CCC3(CCCCC3)C2)CC1(C)C	2318247153	GGPFQJNMOGYNKU-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCCC1CC1)CC1CC2(CC2)C1	2318877401	LUHKZEFHVIWCGC-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCCC1CC1)CC[C@H]1CC[C@H]1C1CC1	2319687245	UWMBZNPJXHCCKQ-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@](N)(CC[C@H]2CCCC23CC3)CC1	2320267644	HIGZNIOWYOZIGI-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC(C)c1cccc([C@@H](N)CC(C)(C)C(C)C)c1	2320514431	GTCVUIORSBNORH-INIZCTEOSA-N	247.426	4.882	0	10	BJAE	
CC1(CCN[C@H](CC2CC2)C2CC2)CCCCC1	2320699982	LGCUHRAZTLSVSP-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)[C@H](CC1CC1)C1CC1	2320817676	XWMBJJPPLPJFKE-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@H]3CCCC[C@@H]3C)(C1)C2	2321643472	XQMMDIGSVAEJEA-JCAIJIATSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@H](N)c2cc(C)ccc2C(C)C)CCC1	2327697832	VDJXTVLUOVSMQO-MRXNPFEDSA-N	245.410	4.699	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1cc(C)cc(C)c1	70977630	XOERPJACEIPENX-HOCLYGCPSA-N	231.383	4.684	0	10	BJAE	
CCCCCC[C@H](NCCC)c1ccsc1	71085213	SXEDTELKMKEZNU-AWEZNQCLSA-N	239.428	4.759	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H](C)C1CCCC1	71085592	RHTOSECJENJNAM-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)[C@H]1CCC[C@@H](CC)C1	71160282	SJTFPBZOOJYGDG-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
c1ccc(-c2csc(C3CCCCC3)n2)cc1	75841287	VNUOIPKUXCYLEO-UHFFFAOYSA-N	243.375	4.858	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CC[C@H](C)C2)cc1	80444942	FSLFBYVWGAFACH-XEZPLFJOSA-N	231.383	4.801	0	10	BJAE	
Fc1cc(C2CCCCC2)ccc1Cl	82029054	VLTHERXCYGGDFU-UHFFFAOYSA-N	212.695	4.527	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](Nc2ccccc2F)CC1	86922640	SNSRVKMROGZKMN-ZIAGYGMSSA-N	249.373	4.987	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@H]1CC[C@@H](C)C1	87990723	HBIFLPSZZPAULP-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)C2(C)CCCC2)c1C	94899611	YXNHTVLGDMZISX-MRXNPFEDSA-N	245.410	4.500	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(CCCC)cc1	97467996	BNGHOYOZGOYFIN-KRWDZBQOSA-N	247.426	4.999	0	10	BJAE	
CCC(C)(C)[C@@H]1CC=C(N2CCCCC2)CC1	103540470	PDXJJNODMSLWAT-CQSZACIVSA-N	235.415	4.593	0	10	BJAE	
CCC(CC)(C(=O)CCC(C)C)c1ccccc1	104156733	XSWRQRGPGWJWFQ-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)(C)C)c1ccccc1	104448945	XCCRGCSXABASSI-HOCLYGCPSA-N	247.426	4.800	0	10	BJAE	
CC/C=C\[C@@H](C)Cc1ccc(Cl)s1	107596040	YQGKIRSQRSCINM-XRVBUDJMSA-N	214.761	4.546	0	10	BJAE	
CCc1cccc2ccn(CC(CC)CC)c12	128390111	DGSJQQNOMPTCOT-UHFFFAOYSA-N	229.367	4.640	0	10	BJAE	
CCCCCn1ccc2cc(OCCC)ccc21	130266325	COLXZROGDODDCV-UHFFFAOYSA-N	245.366	4.620	0	10	BJAE	
CCCC(O)(CCC)c1ccc(C(C)(C)C)cc1	165440427	ALDXHHIOOSHBSK-UHFFFAOYSA-N	248.410	4.772	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1ccc(C)cc1F	165781934	OAQKPGULSDAHMH-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C1=CCCCCC1	167311999	DKYPHCVUIYJZLR-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@H](C(C)C)CC[C@@H]1C	196758678	QCPPKCNNDKRBCG-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(C3CC3)CCCCCN2)C1	218184550	SIZYXLKQVSCQGN-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)c1ccc(C2CCC2)cc1	226799500	ZXKKCBPLHWPNTD-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCC12CCCCC2	230166695	DNPHIDJLQVLTFY-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCC(CC)Oc1ccc([C@@H](C)CC)cc1	232358134	RQINLRFCQCOQQU-LBPRGKRZSA-N	220.356	4.768	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1CCC[C@H](C)C1	251388832	SXFSOMOWMLSHHM-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1cc(Cl)cc(C2(C#N)CCCC2)c1	260609532	NMVAZZZVFRMGEJ-UHFFFAOYSA-N	247.769	4.799	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H](C)c1ccccc1	300472902	TWQIKPHVRATRDY-YQQAZPJKSA-N	247.426	4.724	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1ccc(Cl)s1	300940980	ORMHBJZTFFVGDJ-UWVGGRQHSA-N	246.803	4.507	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CCC1CCCCC1	302267604	QHIUUJNWQXTXLD-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
Cc1cc(C)cc(OCCC2CCCCC2)c1	302300421	ZMQDTCFWAOGSGI-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
Cc1cccc(NC[C@H](C)C(C)(C)C)c1Cl	304266946	JYPZWKBPVQNZNI-NSHDSACASA-N	239.790	4.743	0	10	BJAE	
CCC(CC)CC(=O)C(C1CCC1)C1CCC1	304472175	FXQFLWZQRMDITP-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(CCC2CCCC2)C1	305894726	BMDUCVCWCGCYER-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CSc1sc2c(Cl)cccc2c1Cl	306788913	XPCQYWPUTBVWJC-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CC1(C)CC[C@@H](N)[C@H](CCC2CCCCC2)C1	310068121	PIWNEVIYDVXDMD-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)c1nc2c([nH]1)CC[C@@H](C)[C@H]2C	310943553	OXFOLPLAYRZPTP-UPJWGTAASA-N	248.414	4.779	0	10	BJAE	
CC(C)CNCC1([C@@H]2C=CCCC2)CCCCC1	318159437	RSHYJFWODLSRSW-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@]1(CNC(C)(C)C)CCCC[C@H]1C	318809390	XVVOHNFVGPMHJF-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCOc1cccc2c1ccn2[C@H](C)[C@H](C)CC	319758970	DGPKRENFXIASOF-CHWSQXEVSA-N	245.366	4.647	0	10	BJAE	
CC[C@H](Nc1ccc2sccc2c1)[C@H]1C[C@H]1C	322022615	KQSADOKPEKTOAN-SWHYSGLUSA-N	245.391	4.748	0	10	BJAE	
CC[C@@H](N[C@H](C)c1cc(C)cc(C)c1)C1CCC1	324945050	RUSGYOZEBZATLF-RHSMWYFYSA-N	245.410	4.533	0	10	BJAE	
Cc1ccc(NC[C@H](C)C2CCCCC2)c(C)c1	380897081	ADBIYYGGQBCYKF-HNNXBMFYSA-N	245.410	4.932	0	10	BJAE	
CCCC1(NCc2c(C)cccc2C)CCCC1	382298831	OYIKRXHZRVKZSW-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
C[C@H](C[C@H](O)C1(C)CCCC1)C1CCCCC1	382420206	QSKXRCLXSWOXHR-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCNCC1(CCC2CCCCC2)CCC1	383243155	ZYPZVYJOGXDTMT-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CCCCC12CCCC2	383499122	DUGULLFANDZIAY-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)[C@H](C)CC	383790998	LUHGXXPUFLPSRR-CZUORRHYSA-N	233.399	4.507	0	10	BJAE	
CCN[C@@H](C)[C@H](CC)CC1CCC(C)(C)CC1	383975347	ZEHNGEROLBEHRA-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc2ccn(C[C@@H](C)c3ccccc3)c2c1	384571039	JDWMBAJWSSGRIZ-OAHLLOKOSA-N	249.357	4.753	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](O)(CC)C1CCCC1	387599970	VQYLVAXCKNHFNM-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
Cc1cscc1NCCCC1CCCCC1	395172967	AZLXVUWPEAIHBO-UHFFFAOYSA-N	237.412	4.829	0	10	BJAE	
COc1cc(C(F)F)cc2scc(Cl)c12	396285322	FCVORCHJNKQWEA-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
C[C@@H](NC1CCC2(CCCC2)CC1)[C@H]1CC1(C)C	397690272	MUJIASKHJBUYIF-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)c1coc2ccccc12	404312455	XLUXGDUVBTXPRY-WBMJQRKESA-N	245.366	4.505	0	10	BJAE	
CC(C)(CCC(=O)CC1=CCCCC1)C1CC1	406020007	CHXDSDHUPKWPDB-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
C/C=C/C(C)=C/c1ccc(C(C)(C)C)cc1	605700917	KMNZNVOHILXXIP-GYIPPJPDSA-N	214.352	4.964	0	10	BJAE	
C[C@@H](CC1CCCCC1)Nc1cccc(F)c1	689742330	XXFKTHDMTDWHEL-LBPRGKRZSA-N	235.346	4.597	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)CC1CCCCC1	689831844	OJYCLNDAISGTBA-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](C)CC1CCCCC1	689833652	WGBGFLPBPAOLAA-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)CC(C)(C)CC	692164993	SDNOCSYVSGGWEH-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@]23CCCC[C@@H]2C3)CC1	693196096	HNHUZNDXEOKCJS-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@]12CCCC[C@H]1C2	693564505	GRVIVJYLVKPWJV-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cccc(C2CCC2)c1	696180083	YGNGFJMCJWOJPS-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CCC(C)(C)CC[C@H](N)CCC1CCCC1	696632154	IEYMKLSQOUNJTP-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cc(C)c(Cl)s1	696648296	XQRGMWLMDWEZQO-VIFPVBQESA-N	245.819	4.536	0	10	BJAE	
CCNC[C@H](CCCC=C(C)C)c1ccccc1	697773996	LTMNXDQOURZOLB-KRWDZBQOSA-N	245.410	4.516	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)C1(C(C)C)CC1	700007216	ROAONBUAONEQEQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@H](C(C)(CC)CC)C1	701146850	WLVUHZXZWDYELP-RBSFLKMASA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)CCOc1cc(F)cc(Cl)c1	703708860	JVKBFLGFERJRJC-UHFFFAOYSA-N	244.737	4.684	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC(CC)(C1CC1)C1CC1	704655681	JOWWWSZZHDPTEN-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@@H]1CCCC[C@@H]1C	704795565	HTRABJXSWKSIHK-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@](C)(N)CC1CCCCC1	704877714	BBUQIKDQOGKADS-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCC[C@@](N)(CCC1CCCC1)C1CCCC1	704958235	RAOABONOLQMMIM-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(N)CCCCCC1	709140601	GNPAQXIQLTXENI-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@H](C)CC(C)(C)C	709252216	YRDFLUSDSFCJSL-HIFRSBDPSA-N	228.420	4.636	0	10	BJAE	
Cc1cc(N[C@H](c2ccccc2)C(C)C)cs1	710709553	FZNJWHQLKZTQMX-HNNXBMFYSA-N	245.391	4.866	0	10	BJAE	
C[C@H](C[C@H](O)C1CCC(C)(C)CC1)C(C)(C)C	710743133	VHPAICBRDXUEQJ-OCCSQVGLSA-N	240.431	4.636	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@H](C)C(C)(C)C	711148470	QQJOXSSVOWAQGD-CYBMUJFWSA-N	229.367	4.632	0	10	BJAE	
C1CCC(CCCN[C@H]2C[C@@H]3CCCC[C@@H]32)CC1	712411575	YGGRHQQGOSGQHS-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(O)CCCC12CCCC2	713146488	SGPVORUEOOUWMQ-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCC[C@H](C(C)C)CC1	713170231	SCSBKJLCHITEAJ-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
C=C/C=C\CCC1(CN)CC(C)(C)CC(C)(C)C1	713683754	ZKZCOVANOGAOGI-FPLPWBNLSA-N	249.442	4.690	0	10	BJAE	
Fc1cc(SCC2CCCC2)ccc1Cl	1307364954	DDDPUJZZWYBPFS-UHFFFAOYSA-N	244.762	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1CN[C@H](C)CCCC(C)C	1560837969	HIDPMIXNBZRNNI-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCCC1)NC[C@H]1CCC=CCCC1	1660873001	HGRWQFUUMJXWPP-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCNCCC=C(C)CCCC(C)(C)C	1890093386	QXAIJLRYDIRANE-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CCc1ccsc1C(=O)CCC(CC)CC	1900711512	DGBUYBLMWLZOGD-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C(CC)CC	1900859700	VMHAQBSKSPEZHG-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCC(=C[C@@H]1CCC[C@@H](C)C1)CNC(C)(C)C	1905427796	VFDLSAZQCXUAIE-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H]1CCC[C@H]1C)NCC	1905724227	BWOKUUAXEHJJDP-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1C[C@H]1C1CCC1	1910655338	ZQQMXMHOJWXTKH-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCCc1ccc(F)cc1C(F)(F)F	1911912560	YHOLVBNZJDFXBI-UHFFFAOYSA-N	244.231	4.519	0	10	BJAE	
CCC=CCN[C@H](C)c1ccc(CC(C)C)cc1	1911948757	HBQDVXUIWLFDFI-OAHLLOKOSA-N	245.410	4.502	0	10	BJAE	
CC(=CCCNC(C)C)C[C@H]1CC2CCC1CC2	1911961685	ASOCTJWXMOPOKJ-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCCC=CCN[C@@H](C)c1c(C)cc(C)cc1C	1914683075	YDYJTLPEPRCTAT-INIZCTEOSA-N	245.410	4.619	0	10	BJAE	
CC1(C)C[C@@]1(C)CN[C@@H]1CCC2(CCCCC2)C1	1915862834	JDHWTKFGBDFRHS-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](O)(c1ccccc1)C(C)C	1919925245	PCLPEEFGUXQPLG-MRXNPFEDSA-N	234.383	4.501	0	10	BJAE	
CNC[C@](C)(CCC(C)(C)C)C1CCCCC1	1924105252	ISWXSRYNUCDZRM-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)[C@H](C)C1CCCCC1	1924123694	FANYKYUHHXJJIK-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)C[C@H](CCC1=CCCCC1)NC	1926381860	MGOUMPNNXWASKD-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(=Cc1ccsc1Cl)c1ccc(N)cc1	1935996181	UPDGJRWCXPKERO-UHFFFAOYSA-N	249.766	4.544	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1ccccc1C(C)C	1940624013	BXRPZYXGHBSOIL-CHWSQXEVSA-N	232.367	4.675	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CCC[C@H]1CC1(C)C	1940875507	XUUPILCNMCZFLG-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(F)c1NCCCCCC1CC1	1941576198	GODARHFPRPECND-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC[C@@]1(C)C=CCCC1	1943135371	JSSQMXUAIDWRNX-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](N)CC1C[C@@H](C)C[C@H](C)C1	1944204191	PXMCEHGIUZSRNZ-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@H]1C)C[C@H](C)CC	1944835255	ALDJUMRCBORHSZ-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC1(N)CC(C2CCCCC2)C1	1945948380	WJJMSNMCFGAUGL-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)CCC(C)(C)C	1947457445	WRPLAVUBMSECKW-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(O)CCCCCCC1	1947544891	WQJXGZDMFJZYAG-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)NCC1(C)CCCCC1	1948324774	CJTSYAGIVZMZIV-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)C1=CCCCCCC1	1948950148	VFYNFRJAEAFJBI-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CC(C)=CCC[C@]1(N)CCC[C@@H](CC(C)C)C1	1949023910	GYNSJAWZZXBPNE-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](CC)N[C@H](CC)C[C@H](C)CC	1963228750	KYCIXEGCVTXPQG-QLFBSQMISA-N	227.436	4.760	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)C[C@@H]1CCC(C)(C)C1	1968437642	WGLMIXAGFWFXJO-LSDHHAIUSA-N	245.410	4.506	0	10	BJAE	
CC[C@H](C)[C@@H](C)NCc1ccccc1C(C)(C)C	1970321005	DUSKXFHNZWWZSS-UONOGXRCSA-N	247.426	4.508	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C(C)(C)CCC	1976002640	CUGQHEXDAXYGFZ-KGLIPLIRSA-N	227.436	4.747	0	10	BJAE	
Cc1cscc1N[C@H](C)[C@@H]1CCC[C@@H](C)C1	1980279783	LTFFKNDCBIJNPT-RAIGVLPGSA-N	237.412	4.683	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(O)(CC)CC)CC1	1989772883	VIRIRBJJVMTCOL-HDJSIYSDSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](C)Nc1ccccc1C1CCC1	1992087833	JLWMLKJUKMJHEQ-GFCCVEGCSA-N	217.356	4.555	0	10	BJAE	
Cc1ccc(Cl)cc1C[C@H]1C=CCCCC1	1993486961	OSLOPGCHTJJHNL-ZDUSSCGKSA-N	234.770	4.937	0	10	BJAE	
CC(C)CCCCC[C@H]1C(=O)CCC[C@@H]1C	1994328716	WOZTYQRBHSLKJE-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)c1cccc(Cl)c1	1994359121	SEGTYALRHVNMRJ-GFCCVEGCSA-N	239.790	4.601	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CCC2CCC2)CC1	1997112920	AFEFTQAFPMCXHH-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H](C)C2CC2)CC1	1997116510	LDBAOQWTVVWONM-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)CNC1(C2CC2)CCCC1	1998188092	AVGXKBYAXUXMSS-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCNC[C@@](C)(CC)C[C@@H]1CCC=CCCC1	1999989824	DWQHKZBOFDZXNE-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC1(C[C@]2(O)CCCC[C@@H]2C(C)(C)C)CCC1	2001142810	XYSINSUCMWPNQA-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)C1CC(CC)C1	2002304374	HCLVRYDXLZHAKJ-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@@H]1CCCC(C)(C)C1	2002978388	HTCLTKFYWDSWPK-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@]1(CNC(C)(C)C)CCCC(C)(C)C1	2002979197	PCDHSZLPHARLJJ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC1(C)CCC(N)(CCC2CCCC2)CC1	2004342917	XETANKNGHYYXFO-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC1CC(C[C@H](O)C2(C)CCCCCCC2)C1	2004921341	UVNBXIAXYJDTIK-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CO)CCCC12CC2	2005572020	LJEBKPRKEPBHEU-GOEBONIOSA-N	238.415	4.536	0	10	BJAE	
CC(C)(C)CC[C@]1(CO)CCCCC12CCC2	2005578966	FOEIRONKOBUJBD-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CC(C)=CCCC(=O)C1(C)CCC2(CC2)CC1	2007682521	AQTMZJDKVPPHGK-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@H](C(C)C)C1(C)CCC(C)(C)CC1	2007693778	XGNWFVVOPGRQAI-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1CC(CC(=O)CC2(C)CCCC2)C1	2007768146	VXFACEUUISYDBR-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(C[C@@H]2CCCCCCC[C@@H]2O)C1	2007811245	YGTDHWYSDKZTQD-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)C(CC)CC	2007812166	JUVVVTBOJYHZMD-ZBCRRDGASA-N	239.447	4.617	0	10	BJAE	
CC=CCCCN(C)[C@H]1CCC[C@H](CC)CC1	2009567028	LPJKCBHBYSFDLK-HOTGVXAUSA-N	237.431	4.633	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H](C)C1CCCCC1	2009616439	JDHVWRRPCPRVFG-QNKPMFPBSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](CCC1CCCC1)NCC	2009620249	SXOOACSZIKRYGM-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@H]1C=CCCCC1	2013296600	MCTQNSHFGLJZHP-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
Cc1c(F)cc(NCCCCC(C)C)cc1F	2013720851	QUGMGQHIWFHFMJ-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)c1sc2ccccc2c1C	2014292331	LGPVYUCFISNPBX-QMTHXVAHSA-N	248.391	4.679	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)[C@H]1CCC1(C)C	2014941185	CHQIHGUVOQEPTG-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)C1(CC)CCCC1	2015274061	ITPXTHMVRCFNIO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C[C@H]1CC12CCC2)NCCC	2015532051	XGKLLLLLKZIEAZ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC1(CCC)CCC1	2015636024	SFAJIPNOXUGCSO-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCCC1(C[C@@H](O)C2(C)CCCCC2)CCC1	2015636293	WCOOLJWVXBYTIO-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1(CC(C)C)CC1	2015755264	PLJLWIGCTKJBOM-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(=O)c1cccc2ccsc12	2016449117	MKEPVJSMNSUOAL-ZUZCIYMTSA-N	244.359	4.520	0	10	BJAE	
CCC1(C(=O)CC2(C(C)(C)C)CCC2)CCC1	2017129560	QAULRPZUGQVDSH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1(C)CC(C)(C)C1	2017478124	OFWBCIHWMOKICQ-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@H]1CC[C@H](CC)CC1	2017648570	ODDAEJZQVXPVQF-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@@H]2CC)CC1	2017654318	CFDPFMKWQNYIGE-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(CCC(=O)C2CCCC2)CC1	2017776522	PWQKMOKXFJRCBZ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@H](O)CCC2CCCCC2)CC1	2018965568	SAAUKWIEBJNRNU-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)CN(C)CCC(CC)CC	2019188710	FXSZYZJEKUUGNG-INIZCTEOSA-N	241.463	4.961	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@H](C)CC(C)(C)C	2019200048	NKYZSFZBERJOEF-RBSFLKMASA-N	239.447	4.712	0	10	BJAE	
CCCCCCN(C)[C@@H]1CCCC2(CCC2)C1	2019291241	OIEVYDZGLWHWIT-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CC(C)C[C@@H](C)N(C)C[C@@H]1CCCC(C)(C)C1	2019296896	DBURUIIPEKXJDO-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)C[C@@H](C)C1CCC1	2019354604	XFGZQMCSWJLEDA-ZBFHGGJFSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](C)N(CC(C)C)C1CCCCCC1	2020502462	NBOLGZVBPJYHFM-HNNXBMFYSA-N	239.447	4.856	0	10	BJAE	
CC(C)(C)CCC(=O)[C@H]1C[C@@H]1C1CCCCC1	2022417460	MXUOVLBDYBYJQL-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(N)C[C@H]1C[C@H]1C1CCCCC1	2022502848	TYICBVJVNIOTFG-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1C[C@H]1C(C)(C)C	2022561999	XXDQSDVIPUYARV-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@]1(O)CCC[C@@H]2CCCC[C@@H]21	2022992316	JUPBXNUYGNSJCF-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@]1(O)CCC[C@H]2CCCC[C@@H]21	2022992318	JUPBXNUYGNSJCF-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@]2(C)CC2(C)C)C1	2024101317	JRMOZVCZVIPVNC-WBMJQRKESA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(C1=CCCCCCC1)c1ccccc1	2026940626	AHNJVYVGORLNKU-KRWDZBQOSA-N	243.394	4.531	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)C12CCC(CC1)CC2	2027823717	XLEKUEAMTUZGKI-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](c1nc2c([nH]1)[C@H](C)C[C@H](C)C2)C(C)C	2028264777	QBOKVNGZIJJEOO-XQQFMLRXSA-N	248.414	4.635	0	10	BJAE	
CN[C@H](CCCCCC1CC1)CC1=CCCCC1	2028643108	GTGPQOYVLCAOKS-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC)(CC2CCC=CCC2)C1	2028869906	LUVIOCODTIGDHC-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
O=C(CC1CCC=CCC1)C1CCC2(CC1)CC2	2028874399	PVEBHWDNGNDGKT-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1coc2ccccc12	2029823097	GQKRNUPIZIPDHT-GFCCVEGCSA-N	244.334	4.688	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@H](N)CCC2=CCCCC2)C1	2030230366	LUHURFNNZTYQHC-ABFRBSLYSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC([C@@H](N)CC2CCC=CCC2)C[C@H](C)C1	2030243425	WURBDQDHQOMISU-CPUCHLNUSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC1CC(C2CCCC2)C1	2033764938	QLWPSQBDJYPKNG-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)C(C)(C)C1CCC1	2035586876	CJLXPTLPHTYBCC-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@]1(CN)CC12CCCC2)C1CCCCC1	2036106742	OUPDHDHPBUBVMF-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](CC1CCCCC1)CC1CC2(CC2)C1	2036757016	VNVZCVIZKPAXFI-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@@H](N)c1ccc(CC(C)C)cc1	2037125665	LFFNTZOURSTFNK-JKIFEVAISA-N	247.426	4.567	0	10	BJAE	
NC1(C[C@@H]2C=CCCCC2)CCC2(CCC2)CC1	2037268875	BXTYHOOPQMQOOR-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)C[C@@H]1C=CCC1	2037974700	ONHNZVDPMSBUBL-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
C[C@@](O)(CCCCCCC1CC1)c1ccccc1	2038175272	UKKWYWIXLKRMSZ-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NCCC1CCCCC1	2043194830	PICBGDFLGXJUIJ-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)[C@@H]1CCC2(CCCC2)C1	2043680860	USRGRVXFFWZQSB-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(C[C@H]2CCC=CCCC2)CCC=CCCC1	2045316835	HJOQITSIMALEAU-DLBZAZTESA-N	247.426	4.731	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)C1(CC)CC1	2045322514	FOFHKLCTNMVOLH-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1C(C)=CCC[C@@H]1C	2045741122	OEDANJVNYOGCFQ-BBWFWOEESA-N	249.442	4.703	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2047356497	DEKKQIPDVJCHOK-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C1CCC1	2047436770	GYYHOQFJBZALRK-LUKYLMHMSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@@H]1CCC2(CC2)C1	2049854077	LJQIDEXINBAPNJ-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2CC(CC3CC3)C2)C1	2050218161	XQMYXZKJGHQQKW-YUCHNRCRSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cnccc1C(C)C	2053856386	MCKSEURBSLBISD-DZGCQCFKSA-N	246.398	4.586	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@@H](N)C[C@@H]1C=CCCCC1	2056447536	JTVHBDYWACRYST-QZWWFDLISA-N	249.442	4.523	0	10	BJAE	
CC(C)C1CC(C[C@@]2(N)CCCCC23CCC3)C1	2056652170	ZBZCFOIRULLSBS-DQPZFDDXSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NCC2CC(C3CCC3)C2)cc1C	2056732026	UUXMDNBHQKMJRS-UHFFFAOYSA-N	243.394	4.542	0	10	BJAE	
C/C=C/CCC[C@](C)(O)c1ccc(CCC)cc1	2059223868	TVBUCPZUFYVQMD-YXMMZVCTSA-N	246.394	4.593	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C2=CC[C@@H](C)CC2)CC1	2060914996	WNSKODALEWYEIJ-BFYDXBDKSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC=C([C@@](N)(CC)C2CCCCC2)CC1	2061111420	ULRIHJKNDHPYMB-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC=C([C@]2(N)CCCC3(CCC3)C2)CC1	2061121841	JXRNITNSRMUAEW-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)C(C)(C)C2CCCC2)CC1	2061148152	STBVIHPOEPJIEQ-CJNGLKHVSA-N	249.442	4.667	0	10	BJAE	
O=C(CC1C[C@H]2CCC[C@@H]2C1)C1CCCCCC1	2063535657	LCCHDZOFZBJEGK-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC23CCCC2CCC3)C1	2063902775	JLFFWDAEWUEGEG-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CNCC23CCCC2CCC3)CC1	2063903081	OBTMSSLXSYZHDN-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)=CCN(C)C(C1CCCC1)C1CCCC1	2065944613	ICRHLJRXPPTLIN-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)c1cccc(C)c1	2065990592	PBXPBCQCYAEAHS-DOTOQJQBSA-N	247.426	4.860	0	10	BJAE	
CC1(C)CC2(CC([C@@](C)(N)C3(C)CCCC3)C2)C1	2067502971	GKIYOWVAPJHMRY-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2CC3CCC2CC3)CCCC1	2067523027	YENBMORUKIQXHV-UMPYDWHISA-N	249.442	4.501	0	10	BJAE	
CC1([C@](C)(N)CC2CCC3(CC2)CC3)CCCC1	2067530792	TWQYGLGXZMOMGU-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](N)c1ccc2ccccc2c1	2068818763	RNMYJUMWLQTWKU-SUMWQHHRSA-N	241.378	4.522	0	10	BJAE	
CCCC1(C[C@H](NCC)c2occc2C)CCC1	2069345237	SBMSJGAYRNHNLB-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
C[C@H](NCC1(CC2CC2)CC1)C1(C)CCCCC1	2069500216	HCUAKYZTCRTVGE-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC2(CC3CCC3)CC2)C1	2069579792	DDDMSUHCQGACDD-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1CC2(C1)CC2(C)C	2070408513	PJNPVWUPBBUTNW-UQPPLGOBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@]23CCC[C@@H]2C3)CC1	2070913390	VNAATJMNGUULCJ-DYVFJYSZSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CC[C@@H]2C2CCC2)CC1	2071800603	UINPKUYTJDTEGG-JCCCHCCOSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)[C@](N)(CC2(C(C)(C)C)CCC2)CCC1	2071925923	JYBNQIJLHAQMSC-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1c(C)oc(C)c1C	2072415999	BABWWBDJRUIKHZ-INIZCTEOSA-N	249.398	4.602	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CCNC3(CCCCC3)C2)C1	2074142578	UHLDTEUIMZZXQH-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC1(CN2CCCC[C@H]2C2CCCCC2)CC1	2074590326	JROTWKXBWWVKFY-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@@]2(CNC)CCCCC23CC3)CC1	2074628598	GYSYQXONHZNCOS-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H]1[C@H](C[C@@H]2C=CCCC2)CCCC1(C)C	2076396731	WVMVTRHUTBLALR-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C12CCC(CC1)CC2	2077194228	AIUGAXWTBXYBNR-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1C[C@H]2CC[C@H](C1)C2	2077197146	POXWNRGNVRUHBX-GRDNDAEWSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@@]1(N)CCCCCC12CC2	2079887521	WMRRQXGQEKXAII-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@@H](C)C(C)(C)CC	2081207540	VYEYYHDBYXRXMR-KBPBESRZSA-N	247.426	4.724	0	10	BJAE	
C[C@H](C[C@H]1CC12CCCCC2)[C@H]1CC[C@@H](N)CC1	2082133975	QCSZMCMCSRYQCU-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC1C2(CCC2)C12CCC2	2083533937	RXHKBQRXVBCFIH-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@H](CC1C2(CC2)C12CC2)NCC	2083573298	FMPXXQXZRAVTFU-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](CC)Oc1cc(C)c(C)cc1N	2086288485	FWGPCZGUJFHQDJ-AWEZNQCLSA-N	249.398	4.623	0	10	BJAE	
CCCCC[C@@H](CC)Oc1ccc(C(C)=O)cc1	2086294822	GTSSMMBSEJYWSS-OAHLLOKOSA-N	248.366	4.627	0	10	BJAE	
C[C@](N)(CCCCCCC1CC1)CC1CCC1	2213573676	KLBRAKJXUIAVTJ-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](C[C@H](N)CCCCCCC1CC1)C1CC1	2213580934	QHSLOYPYOLTPHR-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1(CC[C@H](N)C2CCCCC2)CCC1	2214779368	CYSOAPFBIGKBTA-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1CC[C@@H]1C)NCCC	2214961609	RDEKSUSKRQVHTQ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(CC2CCCC2)C1	2216253290	QPIXVMYDNKENFZ-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CCCNC2CCC2)CC1	2217123673	AGAIEHYWZVAARG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@]1(CN[C@@H](C)CC)C=CCC1	2217126274	AHOXKXWIHNEPKQ-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CNC1CCC1)C1CCCCC1	2217134634	DCZKLEOZEHPQGP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@](C)(CCC)CNC1CCC1	2217157445	SOOCNJBBCOKMKR-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
C[C@H]1CCC[C@](N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218357256	QDVMTHBQTUEONN-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](Cn2ccc3cccc(F)c32)C1	2220311389	VQKSPHZUPWBSQS-CHWSQXEVSA-N	245.341	4.607	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CC)C1(C)CC=CC1	2220883232	ZQEHHTWWJFVIGL-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)CC2CC(C(C)C)C2)CC1	2221621075	CPRSFTXSNZAGCH-SJJHQCBESA-N	249.442	4.523	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2CCC[C@H](CC(C)C)C2)CC1	2221659531	GNMJNBLHNPBCCJ-IXDOHACOSA-N	249.442	4.680	0	10	BJAE	
CC(=C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H](N)C(C)C	2222947516	AQBYPHDTKBXRHD-MWDXBVQZSA-N	249.442	4.523	0	10	BJAE	
CC1(C[C@]2(CNC3CCC3)CC2(C)C)CCCC1	2223605042	TYBVVZHLMVCUIX-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@@H](C)CCC(C)C)N2	2224122771	ZPYZKPYBWGFBSV-GOEBONIOSA-N	245.410	4.794	0	10	BJAE	
FC(F)[C@@H]1CCC[C@@H]1CC[C@H]1C=CCCC1	2244083921	KDWYIEJSLMOWSM-YNEHKIRRSA-N	228.326	4.804	0	10	BJAE	
CC(C)NCC[C@@H](C)CC[C@H]1CCC[C@@H](C)C1	2246686793	JEZNCVVHXGSVGY-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CSc1ccc(NCCCC[C@H]2C[C@H]2C)cc1	2247116040	NJMVRSVVFUHXIV-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CC[C@](O)(CCCC[C@@H]1C[C@@H]1C)C1CCCC1	2247126649	DNAIPSPSFOBESK-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CC1CC1)NC(C(C)(C)C)C(C)(C)C	2247759117	YXADSMNYIITQJW-ZDUSSCGKSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2250351757	GIEBADNUAWCSAB-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](CO)C1CCC1	2250517697	FCTFUQITPAKHJV-GDBMZVCRSA-N	240.431	4.638	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@]12CCC[C@@H]1CC2	2251102713	DQVNZGWCBJGUQN-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C[C@@]12CCCC[C@@H]1CC2)NCC	2251218965	URVGPUFMGMFNGG-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251721021	QDJPZUJNFOQROG-UONOGXRCSA-N	237.431	4.523	0	10	BJAE	
Cc1ccc([C@@H](N)CC[C@H]2CCC[C@@H](C)C2)cc1	2253932250	AWLLHXDLFKCWCM-INMHGKMJSA-N	245.410	4.601	0	10	BJAE	
CNC[C@]1(CC[C@H]2CCC[C@@H](C)C2)CC=CCC1	2253937692	JIENQSBCDDMULY-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)[C@H]2CC23CCCC3)C1	2253939935	WQQNWWNFVJNVPY-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(C(=O)[C@H]1CCC[C@H](C)CC1)C2	2254447603	KYGOANONBYNLIK-DSATXLGWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@@H]1CCC[C@@H]2C[C@@H]12	2254568329	GNGLCORCNFGFAX-HNLJFRNMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)C[C@@]12CCCC[C@H]1CC2	2260605360	OSRCBZWLUYKXIA-LLLHUVSDSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)[C@@](O)(c1ccccc1)C1CCCC1	2263741476	VYLRWQDWOXNGBN-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CCC(CC)CC[C@@](C)(CNC(C)C)C(C)C	2300701853	ULJWGRYNXKGGBC-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CCC[C@H](O)c1cccc(C)c1	2300705331	CHNMIWPLFQZFML-INIZCTEOSA-N	234.383	4.635	0	10	BJAE	
CC(=CC[C@@]1(C)CCCNC1)CCCC(C)C	2300860804	KPGMILNUKJLREQ-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(=CC[C@@H]1CC[C@@H](O)[C@H]1C)CCCC(C)C	2300865626	PQESURWSHMTRTP-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
CC(=CC[C@](C)(N)C1CCC1)CCCC(C)C	2300875440	VLVSCNQHHZQGAT-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC=CC[C@H](O)[C@H]1CC[C@H](CCCCC)CC1	2300904875	STQOVEUEAPDZCA-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)CC(=O)CC1CCCCC1	2301843935	MYOBJPRAKSPSEP-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCC(C)=CCNc1cc(F)ccc1C(C)C	2301905478	ODZLCYFLXIUABV-UHFFFAOYSA-N	235.346	4.717	0	10	BJAE	
CC1(C)CC[C@@H](CCCC2=CCCCC2)C1=O	2302299736	GFSWOOBQKHPYND-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1CC[C@@H](CCCC2=CCCCC2)C(=O)C1	2302302433	ZVEAZISCNHHXJA-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)CCCCC2CC2)C1	2302752884	ITPCIMXIXMRMAK-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@H](C)CC[C@H]1CCC(C)=C(C)C1	2303522419	FCUPDBNSHOUDRI-BBRMVZONSA-N	237.431	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)c2csc(C)c2)CC1	2303523446	HUCOOJKBHRSXJX-DZGCQCFKSA-N	249.423	4.583	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CC[C@@H]1C[C@H]1CC	2303570144	GXHRUJWMAHBIMC-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCC[C@@H]1CCC(C)(C)C1	2304358318	BCYUNLAKRJICAW-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCNCCC(C)(C)CC[C@H]1CCC(C)(C)C1	2304448131	VFUWGSVKNPHNTB-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C[C@@H]1CCCC12CC2	2307903769	PTSCPEIWDXHBAF-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@@H]1CCCCC1(C)C	2307905840	ZVDHQKRYFDNYNP-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)[C@@]23CCC[C@@H]2C3)CC1	2311022715	PNTMAHJZZVBKDA-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311608831	ASJXOQGPNANHEJ-JWDQPFGJSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2312465123	KJPBFZLNAODXON-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CN[C@@]12CCCC[C@@H]1CC2)C1CCCCC1	2313338556	REWVEAMHBYHJIL-USXIJHARSA-N	249.442	4.515	0	10	BJAE	
CC(=CCNC[C@@H]1CC12CCC2)CCCC(C)C	2316490105	JRNOLLZHSDYOMS-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2316531486	FXFLFPQYNDKBAO-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(=CC=CCC1CCNCC1)CCCC(C)C	2316538067	UQOUKPPXHRIOKB-UHFFFAOYSA-N	249.442	4.705	0	10	BJAE	
Cc1ccc2oc(C(=O)[C@H](C)C(C)C)c(C)c2c1	2317940734	KSNGRGKUEFUVAZ-LLVKDONJSA-N	244.334	4.524	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@H]1C)C1=CCCCC1	2318929636	TUGXMIZUVDFYKE-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1(CC[C@@H]2CN[C@@H]3CCC[C@@H]3C2)CCCCC1	2319506119	KEMVDGHOOONWKZ-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC(C(=O)CC[C@@H]2CC[C@@H]2C2CC2)C1	2319695252	CMWUFFSLZIETHR-OMFOHFGMSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@]1(C)C=CCCC1	2320316714	BRGXIYLKWLAEBN-JJRVBVJISA-N	248.410	4.764	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1CC	2320395955	XXXCPCRMPPRBEN-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)c1cccc(C2CCC2)c1	2320656897	GTOWKDJBVTXTBK-DCGLDWPTSA-N	245.410	4.636	0	10	BJAE	
CN[C@H](CC[C@H]1CCC(C)(C)C1)[C@@H]1CC=CCC1	2321631172	NOQUZSLDFFOSSJ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C=C=CC[C@@H](O)c1ccc(CCCCCC)cc1	2327904838	FKMMPQMRZKPXBR-QGZVFWFLSA-N	244.378	4.574	0	10	BJAE	
C/C(=C/c1ccccc1)Sc1ccccc1	5282335	BEECUDNYDKTLEV-SEYXRHQNSA-N	226.344	4.840	0	10	BJAE	
C[C@H]1c2ccccc2Sc2ccc(Cl)cc21	6920579	VCCPQIQKDXKHNP-VIFPVBQESA-N	246.762	4.956	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)CC(C)C	19230685	HBAGWALGZGZHFV-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCc1ccc([C@@H](C)Nc2ccccc2)cc1	19997110	CKTBOGWFQLNKOF-CQSZACIVSA-N	239.362	4.812	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H](C)c1ccccc1	20306110	LUFNBCXEKIZTDM-HOTGVXAUSA-N	247.426	4.739	0	10	BJAE	
CCCCc1ccc(NC(CC)CC)cc1	21819557	DQPPIHJMAHCANF-UHFFFAOYSA-N	219.372	4.630	0	10	BJAE	
CCC(CC)[C@@H](NC)c1cccc2ccccc12	79904323	VZVDJFSJSMXHPW-QGZVFWFLSA-N	241.378	4.537	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCC[C@H](C)C1)C(C)C	80418949	UGSKTKGNWYHIMT-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(=O)c1ccc(Cl)c(-c2ccccc2C)c1	82708680	JVPHJSGPRSALEF-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CCCCCCN[C@@H]1CCC[C@H](CC)CC1	83435168	LNWNEZHPQKFVOT-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@H](O)C1CCC(C(C)C)CC1	87961955	JVRDIOKBHUSMRP-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCCc1ccc2oc(C(=O)C(C)(C)C)cc2c1	88071967	NUDBDUYCWRFCAC-UHFFFAOYSA-N	244.334	4.614	0	10	BJAE	
CCN[C@H](C)c1cc2c(C(C)C)ccc(C)c2o1	88073571	NIEDQPVGVUTAIG-GFCCVEGCSA-N	245.366	4.535	0	10	BJAE	
CCC1CCC([C@@]2(CC)CCCCCN2)CC1	91874292	HTIWPVVYGDZMRF-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C=O)cc1-c1cccc2ccccc12	97917455	FQOGCBGXUFNDKH-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](O)CC2CCCC2)cc1	104031142	NTWGRCOPQYNSSG-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	109946303	QRNUOVYHAGGVNC-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(F)c(F)c1	110158301	NKCHRFNXFDDGCH-NSHDSACASA-N	241.325	4.593	0	10	BJAE	
Cc1ccc2[nH]c3c(c2c1)CC1(CCCC1)CC3	130413722	SYYJRIRLACDEBY-UHFFFAOYSA-N	239.362	4.525	0	10	BJAE	
CC[C@@H]1CC[C@@H](c2ncc(C(C)C)s2)C1	132169736	HYRIIIAGUGGKOA-GHMZBOCLSA-N	223.385	4.560	0	10	BJAE	
C=CCCCCCc1ccccc1Cl	137555226	DPEUOBKKWJLTPW-UHFFFAOYSA-N	208.732	4.629	0	10	BJAE	
Cc1ccc2ccccc2c1[C@@H](N)CCC(C)C	160837430	UYTSUMBAKNURRS-INIZCTEOSA-N	241.378	4.584	0	10	BJAE	
C/C=C/CCN[C@@H](C)c1ccc(CCCC)cc1	161696612	RQZCDXMJEGAYNG-DRDHIDPGSA-N	245.410	4.646	0	10	BJAE	
CCN[C@@H](c1cc(C)c(C)cc1C)C(CC)CC	168651397	GGOXZZOPZWZYIB-QGZVFWFLSA-N	247.426	4.699	0	10	BJAE	
Cc1cccc(-c2ccnc3ccccc23)c1C	198664275	AFCSKWIBJGHJFN-UHFFFAOYSA-N	233.314	4.519	0	10	BJAE	
Cc1ccc(OCc2ccccc2C(C)C)cc1	205437548	AIBYPGGNPFXEAL-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1NC1CCCCCC1	214411810	CIODKWCFYRYYBC-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H]1CCC[C@@H](C)C1	218022384	PVPLCRYNKYXOSU-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@]2(N)CCCC[C@@H]2CC)C1	227020960	SJTFPBZOOJYGDG-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	227182927	KGZFTQNMWDMEHT-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCC[C@@H](CC(C)C)C1	230785891	MQYYKRUPXDWQPS-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@H]1CCCCC[C@H]1CNC(C)C	251791891	JWDKOBORCSTDFS-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CSc1ccccc1N[C@@H]1C[C@@H](C)C[C@@H](C)C1	252138047	MTTPNVRBWDKFSG-ITGUQSILSA-N	249.423	4.645	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@H]1CCCC[C@H]1CC	253054893	YKHOAFVEWKQEBM-KBMXLJTQSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](c2ccc3c(c2)NCCC3)C1	300116238	MAFMGFDUPQAULQ-VIKVFOODSA-N	243.394	4.584	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1CCC[C@H]1C	300282930	FBGIGLSCWFFZOJ-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
Cc1c(Cl)cc(C(F)F)c2sccc12	307305699	RYRRAFZWXLRCOB-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@H]1CCC[C@H](C)C1	308048772	JMFKWVHCULSAEZ-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@](O)(C[C@H]2CCC[C@@H](C)C2)CC1	310135885	LXZZZTXLTYTUGL-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC2(CC)CCC2)C1	310407356	LWYOSUQEEKFYDV-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C[C@H]1CCC[C@H](C)C1	310549417	VXLBSOMBPPFACT-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CCCC12CCCCC2	313123380	SMLLRKKDNBEATN-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@]1(CCC(C)C)CC[C@H](CC)C1	319316747	PYHCBHDZLMKJQE-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H]1C[C@H](C(C)(C)C)CCC1=O	319526493	BNOGSYYJVJJOLH-FQUUOJAGSA-N	238.415	4.700	0	10	BJAE	
CC1(CNc2ccc(Cl)c(Cl)c2)CCC1	379856408	KMALFOYHXVUHCH-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CCCC[C@](CC)(CN)CC1(C)CCCC1	380836354	RQQYGGSZQAGPQE-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CCCC1(NCCCCCC(C)C)CCCC1	383164903	RAMGZAQVYPYWRJ-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@H]1CCCC[C@H]1C	384503083	DCIXSBOEINBFSS-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@H](N)CCC2=CCCCC2)c(C)c1	385773670	GZFSMOLOTNSHTG-KRWDZBQOSA-N	243.394	4.584	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CC12CCCCC2	387073848	ZIJSLYSBUNWDGL-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H](C)C(F)F	389907005	BMAVAJXMRVJFSU-LBPRGKRZSA-N	249.389	4.759	0	10	BJAE	
CCOc1cc2sccc2c(Cl)c1CC	396192368	QVSDHGPKANCHRK-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
COc1c(Cl)ccc2sc(C(F)F)cc12	396293318	QCIWSNVTMOYQJC-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC[C@H](Nc1c(C)cc(C)cc1C)[C@@H]1CC1(C)C	397622823	LTAYLPGAYNJSQP-GJZGRUSLSA-N	245.410	4.848	0	10	BJAE	
CCN[C@H](CC1=CCCC1)C(C)(C)C(C)(C)C	401101704	YQOMZIIDJBGPJW-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1CC=CCC1	402114556	CFRCGGMOFGIJJL-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C[C@@H]1CC=CCC1	402387851	PHCDFLGBQCZYCE-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C1(CCC)CC1	405754670	SVAFVOUZQIMQDD-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccc(C(=O)CC(C)(C)C2CC2)cc1	405811202	HFAFODUBLSJGBN-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CCCC2CC2)CC1	406038850	RQHUSZAIGMYPAE-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC1(C[C@@H](CN)C2CCCCCC2)CCCC1	688456098	VVJPDBFWSYUHAF-HNNXBMFYSA-N	237.431	4.502	0	10	BJAE	
c1ccc(-c2cccc(N[C@@H]3CC[C@H]4C[C@@H]43)c2)cc1	689642745	KIMVDLGHZJPMIK-RYQLBKOJSA-N	249.357	4.564	0	10	BJAE	
CCC(F)(F)C(C)(C)CCC1=CCCC1	691805745	ANADZAYCAQVXMU-UHFFFAOYSA-N	216.315	4.948	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@H]1CCC12CCCC2	694334407	VZRIGTCAHIGSFV-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@H](NC)C1=CCCCCCC1	696251488	YNOPHZBQYQOFNW-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CC[C@@H](C)[C@@H](C)CNCC(C)C	696805472	JMGDFCMKTUODLC-CABCVRRESA-N	241.463	4.721	0	10	BJAE	
CCCN[C@@H](C(C(C)C)C(C)C)C(C)(C)CC	701100287	WVEPCHSGMMCICS-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)CC1CCCCCC1	704843872	HJFXMJQFYVJSCO-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H](N)C(C)(C)C(C)(C)C)CC(C)(C)C	709126570	JPOLGGPIVKJQAM-CHWSQXEVSA-N	241.463	4.848	0	10	BJAE	
CC[C@@](N)(C[C@H](C)CC(C)(C)C)C(C)(C)C	709208093	XNIRDQYKAVYSSZ-IUODEOHRSA-N	227.436	4.602	0	10	BJAE	
Cc1cccc(N[C@H](C)CC2CCCC2)c1C	709760661	PQARVPODWRMIMU-CYBMUJFWSA-N	231.383	4.684	0	10	BJAE	
CCc1ccc([C@@](C)(O)C[C@H](C)C(C)(C)C)cc1	710805486	SHVRISMSRRRUDC-GUYCJALGSA-N	248.410	4.529	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(O)CC1CCCCC1	713244730	DFKVRRLYHGNBBG-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)C(C)(C)C1CCC1	713666218	FPCWTSDJLZZZMQ-XITLMJRVSA-N	249.442	4.703	0	10	BJAE	
CC/C=C/C[C@H](CC)c1ccc(F)c(C)c1	714540214	ORXKWYOVEWIQQR-YBJDMEARSA-N	220.331	4.984	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1[C@H]2CCCC[C@H]21	720952401	CDIFUNOVOWTHEZ-MWDXBVQZSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CCC(=O)C(C)(CC)CC	721748905	ORKBARXGJFFYLT-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CC[C@@H]2CCCC[C@@H]2C1	723617237	ZIKGLEGOPWZEIT-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](SC1CCCCC1)c1ccccc1F	1643506421	AUYGPNDPYJVFEU-LLVKDONJSA-N	238.371	4.953	0	10	BJAE	
CCC(C)=CCC(=O)C1CCC(CC)CC1	1900872685	ZVTRXMJUTGULPN-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)[C@H](C)C(C)C	1901668525	RGMRCPXKEUBPHX-ILXRZTDVSA-N	228.420	4.636	0	10	BJAE	
CCCCN(CCCC)[C@H](C)[C@H](C)C(C)C	1901718985	AHHZPFSZVFKHAQ-HUUCEWRRSA-N	227.436	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCC[C@H]1CC	1905388435	JWEUQVXAQAQHPR-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCCC1CCC(CC(=O)C[C@@H]2C[C@H]2C)CC1	1909711937	FIZBJNXLHWVIRI-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@H](NC)[C@]1(C)CC[C@@H](C)C1(C)C	1912110851	LJQAVSLIKIZMEB-VYDXJSESSA-N	249.442	4.559	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC2(C)CCCCC2)[C@H](C)C1	1916096622	RJQFTQKACKTKDM-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H]([C@H](C)C1CCCCC1)C(C)(C)CC	1924079246	UBBZENXYYHWYSK-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@H](C)C1CCCC1	1924079977	ZUXQXRZWVPXQSM-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(OC[C@H](C)C(C)(C)C)c(Cl)c1	1936612749	JTXMPQJTQXHFSX-NSHDSACASA-N	240.774	4.709	0	10	BJAE	
CC(C)CC[C@H](C)Oc1ccc(Cl)cc1F	1937175717	ZSLKTZRDFVQVID-JTQLQIEISA-N	244.737	4.683	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CC2CC(C)C2)CC1	1940669425	ISAVUPCLHPCQLY-KNIAUWFNSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC1(C)C)CCC(C)C	1940871408	CKBMVHQFCRKSES-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CC1CCCC1)NCC	1941262507	FVRGWXOBSAWZPG-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@H](C)CCC(C)C	1942658507	HIVXQDWUPAGKIA-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(C2(C)CC2)cc1	1944598464	OKSCSNFMWAAJGV-ZDUSSCGKSA-N	231.383	4.729	0	10	BJAE	
CCC[C@H](C)CC(=O)C(C)(C)C1CCCCC1	1944640935	HKJSZYMJOIGHAM-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)C[C@@H]1CCC[C@H]1C	1944850502	VHTHKKUZOKNTTL-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC1(c2ccccc2C[C@@H]2C=CCCC2)CC1	1947565211	NIIIPBDMASHXTD-CQSZACIVSA-N	226.363	4.637	0	10	BJAE	
CC(C)CCCC1(N)C[C@@H]2CCCCC[C@H]2C1	1947856527	GHJMGDYBTQXAER-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H]1CC12CCCC2	1948075542	WDNSPXDDAVTCCB-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1(CCC)CCC1	1948932661	PBEIZTHFTBFRHR-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CCC[C@](N)(CC1(CC)CCC1)[C@@H]1CC1(C)C	1948979058	DHWHTIJALCHKLU-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@H]1CC[C@@H](C)C1	1949531476	PUOLLZHPSVSQLV-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCCC[C@@H]1CC)C(C)C	1949831717	BOHLWFFJUMZMIU-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
O=C(CC[C@H]1C=CCCCC1)CC1CCCC1	1949865010	URUYFMIEKFDRTK-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2CC(C)(C)C2)CC1	1950929329	GITVMWCYOLXCJV-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(CCCC(C)(C)C)CC1	1950931538	XMXDKOYRTFPYAV-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
Cc1ccc(C)c(CNC2(C)CCCCCC2)c1	1963050133	MCGPPIYWFWAUMT-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCc1c(C)cccc1C	1963172528	BOKZOIINXRMWNV-CJNGLKHVSA-N	247.426	4.608	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC[C@@H]1CCC=CCCC1	1967814510	HVDHMIGYRAQIPK-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1N[C@H]1CCCC2(CCC2)C1	1971811387	AABCKVFLLQDEQA-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@H](O)c1cc(C(F)F)cs1	1977079078	QIURXKURLUMQKH-JTQLQIEISA-N	248.338	4.545	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCCCC1=O)C(C)(C)C	1980350230	DXNKYMKRPCQXTP-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(C)c(C)c1	1989818691	KKXDOGVTIIIRSB-ZDUSSCGKSA-N	219.372	4.540	0	10	BJAE	
CCCCC[C@](O)(CC)C1CCCCCC1	1990092415	ZFXAJWUKVXXRMI-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CC(C)Sc1ccccc1N[C@H](C)C1(C)CC1	1996565076	XGSCPPAHQIYTAH-GFCCVEGCSA-N	249.423	4.788	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@H](C)C1CCCCC1	1996613404	QYSQLRNRPALQGZ-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@H]1CCC=CCCC1	2000006730	NRPRMELPLGNNTQ-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C2(C)CCCCCC2)C1	2000219695	XCSJIHYHPQOBGA-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCC1)C(CC)(CC)CC	2000371180	GPZSAFQMEWYXDD-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)CC1CC=CC1	2000484261	RIDJBGFNNWLIFY-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(CCCC)C(=O)O	2000485414	XIJFXGQEMMUEQL-UKRRQHHQSA-N	242.403	4.874	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@H]1CC1(C)C	2000504706	KKXQWAATMLTJJB-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CN1CCCC12CCCCCC2	2000898499	NMTGHFSJMPOYAX-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC[C@@H](C[C@@H]1CC12CCCCC2)NCC	2001218792	YBIYWKLFLGPACZ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCC(C)(C)C1)C1CCC1	2002991759	VTRZWWGVCISDRV-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@H]1CNC1CCCCCCCC1	2003101495	XCSITXCPZGOSCD-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CC1CC1)NC1CCC(C)(CC)CC1	2004342203	QIIYQSDSYIPDEF-FHERZECASA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](NC1CCC(C)(CC)CC1)C1CC1	2004342812	WJKWHZWSSNVALP-HWOWSKLDSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@H]1CCC[C@@H]1C	2006727746	RLFOXDUURHZBCO-WFASDCNBSA-N	232.367	4.686	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCCC(C)=C1C	2006955210	YXYZNUGTUMIIJM-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)[C@@](N)(C[C@H](C)CC(C)(C)C)CCC1	2006965537	ORPVZWZISBQREM-WBMJQRKESA-N	237.431	4.667	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CC(CC)CC)[C@H]1C	2006977875	FZMHNUKMMVSLJE-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)CC1CC(C(C)C)C1)C(C)C	2007764978	BSGMOFYMUKTJJL-NRXISQOPSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC(=O)[C@H]([C@@H]2CCC(C)(C)C2)CC1	2009404624	PIUIFWGRMKMCLT-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C[C@H](O)C1=CC[C@@H](C(C)(C)C)CC1	2010723761	WGBNTUYSUWQAFV-KGLIPLIRSA-N	238.415	4.556	0	10	BJAE	
CC[C@H]1CC=C(C[C@@H](NC)c2cccs2)CC1	2010762919	KAJYCXKSEJWNFD-GXTWGEPZSA-N	249.423	4.535	0	10	BJAE	
CC=CCCCN[C@@H]1CCC[C@@H](CC(C)C)C1	2011444661	VIWFHIHOYLGPOZ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@H]1CCCNC1CCCCCCCC1	2011564662	XCEBPVZEIQVQTN-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C1CC(C(C)(C)C)C1	2013295893	IHLCEZQQSKQCIU-ZBCRRDGASA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)C(C(C)C)C(C)C	2015273986	IFSOSYMZQIVOIX-HUUCEWRRSA-N	241.463	4.575	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCCC[C@@H]2C)CCC1	2015584561	LYLYRWXOPCHSGA-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C(C)(C)CC(F)F	2016017947	ATWYYHUQSAZSAG-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
CC(C)C1(C[C@]2(O)CCCCC[C@@H]2C)CCC1	2017116822	NQLYKBGPYRRKII-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCC(C)C)CC1(C(C)(C)C)CCC1	2017139851	ZZWPCHRJZZDNAS-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CC1(C(C)(C)C)CCC1	2017139947	BKNMSQVLIWILGO-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)CC[C@H]1C[C@H]1C	2017239808	URRSFCCCKIGJAK-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC1(CNC(C)(C)C)CCCC1	2017468258	GDEMDZUYPQCKGB-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)C[C@H]1CC[C@H](CC)CC1	2017729957	BPQHWBCSUSWRJH-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(O)C2CCC2)CC1	2017773507	BPQRFROWKCUMDF-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CCC1(CCC)CC1)NCCC	2018988977	ZTSFSBMXMDTCAS-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@H]1C=CCCCCC1	2019121540	JWSVPPAIALLMKO-HOTGVXAUSA-N	237.431	4.776	0	10	BJAE	
CC(C)C[C@@H](C)N(C)CC1CCC(C)(C)CC1	2019227841	AXOMKAAROZFDKQ-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)C1CCCCCCCC1	2019383771	FJPFSFHTYLLEKV-GJZGRUSLSA-N	239.447	4.856	0	10	BJAE	
CCCCCC1CC(N(C)[C@H](C)[C@@H](C)CC)C1	2019388494	GUZYAMYGXFYDKG-QRNKSROTSA-N	239.447	4.712	0	10	BJAE	
CC(C)(C)CCCNc1ccccc1C1CC1	2021026626	ZQTGXQOBIZULIC-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCCC[C@](CC)(CN)CCCCC(C)(F)F	2023291233	ZOGUDAHJQARJKC-AWEZNQCLSA-N	249.389	4.747	0	10	BJAE	
CC[C@@](CN)(C[C@@H]1CCCC(C)(C)C1)C(C)C	2024089177	NJEAZKNPEYTPSR-ZBFHGGJFSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCCC(C)(F)F	2026166664	LKTYRTOFGRSEQF-OLZOCXBDSA-N	249.389	4.746	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](c2nc(CC3CC3)cs2)C1	2026537427	DSVLGACGWIIUBT-PJXYFTJBSA-N	249.423	4.635	0	10	BJAE	
CCCCc1ccc(C(=O)CCC2(C)CC2)cc1	2027733395	XSPOODKESIXUFQ-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)[C@]12CCC[C@H]1C2	2027844200	XQBPNDADOFANHF-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](NCC1CCC=CCC1)C1CC1	2028873169	UATGXLVCWXDBPZ-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](NC2CC3(CCCCC3)C2)CC1	2028881846	VEQGJGBBUMEITI-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc(NC2CC(C3CCCC3)C2)c1F	2033769289	XZHKXEMEXOXTOC-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CC12CCCC2)C1CCCCC1	2036105415	LBIXNPAKVRMFBD-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
N[C@@]1(CCC2=CCCCC2)CCC2(CCCC2)C1	2037168911	OEIPCQRQQRJIKP-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC1CCC2(CC1)CC(N)([C@H]1CCCC[C@@H]1C)C2	2038939845	HAUGTSUETYPNOX-YTVKCJQUSA-N	249.442	4.501	0	10	BJAE	
CCNCC1(C[C@@H]2CC[C@H](C)C2)CCC=CCC1	2040172639	NNLPCLQCKKOIRQ-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H](CC)CC1)c1ccco1	2041494769	LRMUERTYDQRVOA-ILXRZTDVSA-N	249.398	4.679	0	10	BJAE	
CC1(C)CCC[C@]1(C)N[C@@H]1CCC12CCCCC2	2041737034	RGCGZPXAZAZEOE-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)NC[C@@]1(CCC2CCC2)CC=CCC1	2042091793	OONUKELVLCMRSG-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCC(=C2CCc3cc(N)ccc32)C1	2045508136	VDUGUXNQQXZXDZ-UHFFFAOYSA-N	241.378	4.569	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)C1(CCC)CCC1	2045813084	MYAPCJVDXIOXPR-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)C[C@@H]1CC12CCCC2	2047010792	VEZFEMXHBAOCCU-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCC=CCC1)C1[C@H]2CCCCC[C@H]12	2048372495	ZPPOTZXHYAHVCQ-GJZGRUSLSA-N	246.394	4.518	0	10	BJAE	
CC(C)(CC(=O)C[C@@H]1CCCC2(CC2)C1)C1CC1	2049931680	ZRJXOAWAKABZIT-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@@]12C=C[C@@H](CC1)C2	2049997995	RVSQVQXZILGKPP-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](c1ccco1)C1(C)CCCCCCC1	2052476272	UGBOWXAYKIHTQG-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2055226811	WEAQMDIUDGMLNW-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(CN(C)C2CCCCCCC2)cc1	2055725536	GXJKTGWZAWIALA-UHFFFAOYSA-N	245.410	4.540	0	10	BJAE	
CN[C@H](C[C@H]1CC=CCC1)C1(C)CCC(C)CC1	2056555926	BTZPULGMIHXEMN-VUROTCPHSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C1(C)CCCC1	2056867465	HFIPODNMNYHBRU-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)C=C1CCCCC1	2056918692	BYNONKDYFWBYLS-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C2CC(C3CCC3)C2)CC1	2057496511	YERBBHQTLKFTJX-UUNGTBAKSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H]1CC12CCCCC2	2059254064	WWEJCQQPEVLMBF-BYQDXSGLSA-N	249.442	4.681	0	10	BJAE	
CSc1c(Cl)cc(Cl)cc1C(F)F	2060066616	WSEMFHAQRSOKCC-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
CC1CC(C[C@H](N)C2=CC[C@H](C(C)(C)C)CC2)C1	2061099218	NRYBPHVMNISOEP-BGHVQYPCSA-N	249.442	4.523	0	10	BJAE	
CN[C@H](CC1(C)CC1)C1=CC[C@H](C(C)(C)C)CC1	2061100546	XMMLRWVRMNYMKM-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(NCC[C@@]23CCC[C@@H]2C3)c1	2061571006	HKKJXJQXYDUKAU-NVXWUHKLSA-N	243.394	4.802	0	10	BJAE	
CC1([C@@H](O)CC2CC(=C3CCC3)C2)CCCCC1	2061684640	ITSHZQZZNUPHGA-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCN1CCCC12CCCCCC2	2062630083	JVJVOGOLDHLSEC-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC1([C@H](N)CC2C[C@@H]3CCC[C@H]3C2)CCCCC1	2063489725	GNSLOIBKMIFPFU-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)CC23CCC(CC2)C3)CCCCCC1	2065301525	XAGZWCIGHRKWLE-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC23CCC(CC2)C3)CC1	2065313925	YKABBNXJBMCWER-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(N)(CC23CCC(CC2)CC3)CC1	2065340813	ZNIAFLDBVNXADP-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@H](N[C@@H]1CCCCCC12CC2)C1(C)CCCC1	2067519166	DFXZJJHUGCVWME-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCC1(C)CCC(N)(CC2C[C@@H]3CC[C@H]3C2)CC1	2068775028	ZWTGNZALOOSCON-JUVOFCAFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C[C@@H]1CC12CCC2	2069176367	FKZXXFUGLSDRGF-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2069288353	GINQDPNOBUESJK-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCCC[C@H]1NCC1(CC2CC2)CC1	2069498991	ZOGQXVMFNMDEHJ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@@H](N)C1(CC2CC2)CC1)C1CCCCC1	2069515864	SMSBUYOHGPUIQW-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2(CC3CCC3)CC2)C1	2069581419	RJTPHAXCRWRXRL-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1([C@H](N)C2=CCCCCCC2)CCC1	2071934946	ZKASKNJZNXMFRY-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCC[C@@H]3CC[C@@H]32)CC1	2072801657	PTIHNAJTWOESTM-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](C)CC1)[C@H]1C=CCCC1	2072807338	VBDRAZUOAGXQRT-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@H]2C[C@@H](C)Nc3ccccc32)CC1	2074635698	FPSQHCKOYGNVCG-ZIAGYGMSSA-N	243.394	4.945	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)[C@H](C)c1ccccc1	2074779970	KDNXFSAQMOMMFB-RHSMWYFYSA-N	245.410	4.648	0	10	BJAE	
C1=C[C@@H](N2CCCC3(CCCC3)CC2)CCCC1	2075409788	HVOXKTOLMFIKRH-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1C[C@@H]1C1CCC1	2079282401	MFSIZFWDZHVBLA-GDBMZVCRSA-N	243.394	4.658	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2C[C@@H]2C2CCC2)cc1	2079339114	YQOPVIMAWFCIKL-NVXWUHKLSA-N	244.378	4.625	0	10	BJAE	
CCCc1ccccc1NC[C@@H]1C[C@H]1C(C)(C)C	2079622162	ZPVIPOHPRYHVNJ-LSDHHAIUSA-N	245.410	4.733	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H]2C[C@H]2C2CCCC2)c1	2079640145	LLMCCUVEQWBORX-RDJZCZTQSA-N	243.394	4.542	0	10	BJAE	
C[C@H](C[C@@H]1C[C@@H]1C1CCCC1)c1ccc(N)cc1	2079708462	ZLCHKPJLMWETGY-SRCQZFHVSA-N	243.394	4.589	0	10	BJAE	
CCc1ccccc1[C@@](C)(N)CCC(C)(C)CC	2081220716	ZMEGYCVOHSXDRY-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC1(C)CCCC[C@@H]2[C@@H](N)C3(CCCCCC3)[C@H]21	2083262838	HALLXTGKMAFYOZ-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](N(C)C[C@H]2CCC=CCCC2)C1	2085278607	BFCAABTZEIHGGH-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)CCCCCCC1CC1	2213581649	ZETPXURVAVUDHA-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CN(CC)CC1(C)CC(C)(C)C1	2215441717	YQXVHNYAGYPNTJ-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC(C)(C)CC[C@]1(CNC)CC=C(C)CC1	2215826967	RDDYOKKPIZCGGZ-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](C)[C@H](CCCCC(F)F)NCC	2216456878	LIRJOEBZGFKVIW-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCC2(CCCN2CCC2(C)CC2)CC1	2218014953	KNPVQDJTNKWMAT-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C1CCC2(CC1)NCCC[C@H]2CCCCC1CC1	2220044147	HCNUSRPZJGYYDZ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@](N)(CC1(C)CC2(CCC2)C1)C1CCC1	2221038497	GDHOWRIWSNKYKR-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](C[C@H]1CCCCN1)CC1(C)CC2(CCC2)C1	2221039006	HMLFNRRMGHWCQZ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C=O)cc(-c2ccc(C(C)C)cc2)c1	2221589084	WOPROHCEOBYFSO-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CNC[C@]1(CCC2CCCCC2)CC=C(C)CC1	2221667126	SEDSYBRQACIOQW-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](Nc2ccc(F)cc2)C1	2222261962	UKTKTUXUABWCHY-IUODEOHRSA-N	249.373	4.843	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1ccc2occc2c1	2224140760	ZIPWKRISGQFOHY-LRDDRELGSA-N	245.366	4.520	0	10	BJAE	
CCCCCC[C@](C)(O)CC1=CCCCC1	2243209691	DQCCJRCLAIIFCK-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)C[C@H](C)O	2244846486	DCWRGFKQJWTKMO-ZNMIVQPWSA-N	228.420	4.636	0	10	BJAE	
C[C@H]([C@H](N)c1cc2ccccc2s1)C(C)(C)C	2246878100	QSYIKOGUKBOXCN-YGRLFVJLSA-N	247.407	4.583	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H](N)CC1CCCCCC1	2247310117	LAUVHUCWUSOROD-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@](C)(N)CC[C@@H]1CCCC12CC2	2247583820	NJTDLUUHCBYLET-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)C(NCCC1CCCC1)C(C)(C)C	2247718933	RQVXHRAGRQFGMX-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
Cc1cc([C@@H](O)CC(C)(C)C)cc2ccsc12	2248561841	AMOHVGNMDGXJQF-ZDUSSCGKSA-N	248.391	4.679	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](CN)C(C)(C)C	2250469217	MFXCTNZZAJLGIA-HUUCEWRRSA-N	241.463	4.850	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C[C@@H]1CCCCN1	2250480655	HENOVNMVUBKCQN-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC[C@]1(O)CC[C@H](C)CCCC(C)C	2250495280	GUCSITNZNIIMJS-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(-c2nc([C@@H]3C[C@@H]3C)c(C)s2)cc1	2252757551	GXQNYNYHXLESRA-GXFFZTMASA-N	243.375	4.550	0	10	BJAE	
C[C@H]([C@@H](N)c1ccc2ccsc2c1)C(C)(C)C	2253066092	UUFZAWYCIPTKCP-QMTHXVAHSA-N	247.407	4.583	0	10	BJAE	
CNC[C@]1(CC[C@@H]2CCC[C@@H](C)C2)CC=CCC1	2253937694	JIENQSBCDDMULY-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC1CC2(C1)CC(C(=O)[C@@H]1CCCC(C)(C)C1)C2	2254448151	QQRIZWSMTJCSHL-OFNHWJQESA-N	248.410	4.598	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCCC[C@@H]2C[C@@H]2C)C1	2254538942	WKHAJTOANRSUMJ-HNKHHVNMSA-N	248.410	4.764	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)CC1=CCCCC1	2255097882	XOXMLOUHLNVYIT-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CC(C)NC[C@]1(CC2=CCCCC2)CC[C@@H](C)C1	2255098225	ALLFHNJLQHMDJS-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNCC2=CCCCC2)CC1	2255099887	MDTMMBSIUYOMLL-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cccc(CC(C)C)c1	2259447152	KIMYDSUYBPNGCD-RDJZCZTQSA-N	247.426	4.711	0	10	BJAE	
N[C@@H](C[C@@]12CCC[C@H]1CC2)C1CCCCCCC1	2260583579	PKWRGLSQOSCXIH-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc(OC[C@@]23CCCC[C@@H]2CC3)c1	2260647423	OYYOPEXSHAFPAV-WBVHZDCISA-N	244.378	4.653	0	10	BJAE	
NCC1(C[C@]23CCC[C@@H]2CC3)CCCCCCC1	2260675618	YSQXPKOKBDYVMT-NVXWUHKLSA-N	249.442	4.646	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](C[C@@H]2CC23CCC3)C1=O	2261448684	GQGJDXDTWBAJID-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C[C@@H]1C[C@H]1C)NCC	2297868383	ZWOCJIUTJAEJAV-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H]2CCC[C@@H](CC)N2)C1	2300186060	XDDIUHKVBZFNJN-QXSJWSMHSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H](C)CCCC(C)C	2300501528	OLHXBZXSRQFAHH-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CCN1CCC(CC)(CC)CC1	2300688761	QCOGYXCMAOBQNH-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCCN[C@@H](CCC=C(C)CC)C1CCCC1	2300895890	BXSHNBSUQKPVCU-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1N	2300897099	PQMBBOZQYASSMP-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(O)CC1CCCCCC1	2301207326	JKUIHZIRDULMEE-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)CCCC1=CCCCC1	2302356491	NWTOBYCKFMKHAU-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)CC(=O)CC[C@H]1CC[C@H]1C1CC1	2303123838	KNYSGWGVBGWLFN-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC[C@@H]1CCC(C)(C)C1	2304436583	MQIFPIIGGYPMKY-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)CCC(C)C)c1	2307501794	UQIPLRNYJJRYST-MRXNPFEDSA-N	234.383	4.588	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)CC12CCC(CC1)C2	2307816802	ITIQHPLEYIKNDY-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC1=CCCCC1)NC	2307819612	NYMYFBLJUTXANK-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)CCC1CCCCC1	2307831321	JNNJGROJGUKSHJ-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CNC1CCC1)C[C@H](CC)CCC	2307844552	OCGFEKHNAJBUFO-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)[C@H]1CC[C@H](CC)CC1	2307898436	KCPKTKLMXXZHRK-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCC[C@@H]1C(C)C	2307903415	PEUBWZNKJZFZJM-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)C1(C(C)C)CCC1	2307909671	VHUAAUJCALYOQK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](NCC)[C@@]1(C)C=CCCC1	2311586176	FMEPGQVQALGPLE-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@@]23CCCC[C@@H]2CC3)[C@@H]1C	2313346457	KHALMFPPIBGEAZ-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H]1CCNc2ccc(F)cc21	2313621621	AFBPEHKUWBFTSS-RISCZKNCSA-N	247.357	4.551	0	10	BJAE	
N[C@H](CC1CCCC1)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316881478	QFVBSNKJGMAWRE-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1C[C@H]1C[C@H]2CCC[C@H]1CC2	2317009243	INNGOEDCSDUKJV-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CC1[C@@H](C)[C@@H]1C	2317905743	BZQJPDJAAPOREB-OFQRWUPVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)c1ccc2occ(C(C)(C)OC)c2c1	2318307921	JLHPBIMSPHNWIR-LLVKDONJSA-N	246.350	4.828	0	10	BJAE	
C1CCCCC(N[C@@H]2CCCC[C@H]3C[C@H]32)CCC1	2319328394	FQMSVGCEKKLPIC-USXIJHARSA-N	249.442	4.658	0	10	BJAE	
CCC1(CC)CCN(C[C@@H]2CCC(C)=C(C)C2)C1	2320389107	XFWQRTFYHUGGOP-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](NC)c1cccc(C(C)C)c1	2320517275	WWYJZSPZGHJTPW-JJRVBVJISA-N	247.426	4.753	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@](C)(O)C2CCCC2)c1	2327696698	HQFXCUXRTXJFNO-KRWDZBQOSA-N	246.394	4.516	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)c1ccccc1CC	2328200325	NOVVJKDRKAXJJG-RHSMWYFYSA-N	248.410	4.673	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CC)c1cccc(C)c1	2328211523	ZUWRUKICJXSFNK-RDJZCZTQSA-N	248.410	4.809	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cc(F)ccc1F	20519979	DTZGVOMYRFIIHD-LLVKDONJSA-N	241.325	4.736	0	10	BJAE	
CCCCCC(=O)c1ccc(CC(C)C)cc1	36941279	DGNYSNMYAQGDJL-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCCC1CCC(N[C@H]2CCC[C@H](C)C2)CC1	37252956	LAKTWFHXPNERRM-LBDPXKHJSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)NC1CCCCCCC1	68985398	XBXUCAZQOSLHAB-CQSZACIVSA-N	225.420	4.658	0	10	BJAE	
Clc1cc(Cl)cc(C2CCCC2)c1	75840606	SYXJHJTZSPYNNR-UHFFFAOYSA-N	215.123	4.651	0	10	BJAE	
CCC[C@H](CC[C@H]1CCCC[C@@H]1CC)NCC	80410870	FLTDIMLNRPXYEU-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@@]1(N)CCC[C@@H](C(C)(C)C)CC1	86955937	FZBKVYNMNDEHIR-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)c2cc(C)ccc2C)C1	87988875	UVSQFWQMFQEAQO-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H](NC)c1cc2c(C)ccc(C(C)C)c2o1	88075175	UNXGIUYWEAWHLQ-CQSZACIVSA-N	245.366	4.535	0	10	BJAE	
O[C@@H](CC1CCCCC1)c1ccccc1C1CC1	94528709	FQHKCJUSIVSBRV-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CCCNC[C@H](c1ccc(C)cc1)C(CC)CC	94675617	BUHHQYFSGPTTNK-KRWDZBQOSA-N	247.426	4.514	0	10	BJAE	
CCCCC[C@H](NCC(C)(C)C)c1ccccc1	109922274	HKKURZWHFZADLE-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
O=C1CCCCC[C@@H]1c1ccc(C2CCC2)cc1	133426621	NQPOMLBJOSLMGE-MRXNPFEDSA-N	242.362	4.571	0	10	BJAE	
CCCCCC[C@H](NC)c1ccc(Cl)s1	133705902	WSOFMFOCAUFSLY-JTQLQIEISA-N	245.819	4.632	0	10	BJAE	
CCCC(CCC)Nc1c(C)cccc1F	135234883	LOBDMTMWIDBMFY-UHFFFAOYSA-N	223.335	4.515	0	10	BJAE	
Fc1ccc(-c2c[nH]c3cc(Cl)ccc23)cc1	145257989	BHZUKOPIXDYLKD-UHFFFAOYSA-N	245.684	4.627	0	10	BJAE	
CCC(CC)C[C@@H](CNC(C)(C)C)C(C)(C)C	162399896	XIFPDTGECPWSPO-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc([C@H](C)NC[C@H](C)C(C)(C)C)c(C)c1	162636489	FSSLOTQRDFQZJM-GJZGRUSLSA-N	247.426	4.636	0	10	BJAE	
CCCC(O)(CCC)[C@H]1CCCC[C@@H]1CC	163746387	DBSPFIBNVDWAAO-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CCC1C[C@H](C)C[C@@H](C)C1)NCC	220381799	UJBXUHMQHSMQOR-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)c1c[nH]c2c(C)cc(C)cc12	233341581	UHZPZBWXERZETE-NSHDSACASA-N	215.340	4.688	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@H](CC)NCC	251320624	KAWOSGHQMXINNJ-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](CCC(C)(C)C)NC)C1	251626098	LUQSGGQRAGKAMP-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NC[C@H]1C[C@H]1C)c1ccccc1	252970628	XHRHNGAINITPQN-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc2scc(CSC(C)C)c2c1	257894066	MULWLARCLARGHN-UHFFFAOYSA-N	236.405	4.851	0	10	BJAE	
CCC[C@@H](CCCC(C)(C)C)CNC(C)C	300963915	YUNVRHJLUBEXAS-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)C)[C@H](C)CCC	302415447	TUMVIXMABQYPNG-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)CC(C)(C)C	305898717	WYZIWIRRVAJYQA-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1ccc(CC(C)C)cc1	305975910	HGSAMBHTIZRGQJ-PBHICJAKSA-N	247.426	4.711	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1CCC(C)CC1	308053232	IHCZHOXIXDNZOD-YMAMQOFZSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)NCC/C=C\C1=CCCCCCC1	310047474	TZKVVRVCVQMOEC-BRWCEPEISA-N	235.415	4.601	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)([C@@H](C)CC(C)C)CC1	310197960	AWFUBIITLXZBBY-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CC2(CC)CCC2)C1	310407354	LWYOSUQEEKFYDV-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C(C)(C)C(C)(C)C)C1	310465228	GNETZFGRCCDULA-ITGUQSILSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1ccc(C)cc1Cl	320212188	RYAZFFDYRXUUMV-GHMZBOCLSA-N	238.758	4.513	0	10	BJAE	
CCC[C@H](Nc1ccc2[nH]ccc2c1)C1CCC1	322293830	RVCYMEQHIJJWTO-INIZCTEOSA-N	242.366	4.549	0	10	BJAE	
CCCCCC[C@H](O)CC/C=C/c1ccccc1	324000474	ISRUEUDYRHCSAM-VEMDQMBVSA-N	246.394	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(O)CCC(C)(C)C)C1	379731508	UFDVVNIHUGUPIX-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H]1CCC[C@@H]1CCCCCC(C)C	383409554	WKGOXVAKKBBJEO-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC1(C/C(C)=C/CCNCC(C)C)CCC1	383519333	NCGAPXLAIGLREZ-OVCLIPMQSA-N	237.431	4.539	0	10	BJAE	
C[C@H](C[C@@H]1CCCC[C@@H](N)C1)C1CCCCC1	383645025	HTOBORISASUQNC-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC1(C)CCCC1)CC(C)C	383705789	WFNNEVKAIKYREM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)c1csc(C)c1	384858304	NNLMXJQDKCJYCR-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CC(C)[C@H](N[C@@H](C)CC(C)(C)C)c1ccccc1	384945330	QZXAKFRGOASQMV-HOCLYGCPSA-N	247.426	4.798	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H]1CCCC[C@H]1C	385061315	UUQRAAWFBJRNFU-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
CC1CCC(C[C@@H](C)[C@@H](N)c2ccccc2)CC1	385260759	VNCUBCRYPOVJAI-CLKYRPBMSA-N	245.410	4.539	0	10	BJAE	
CCCC1(CN[C@H](C)c2cccc(C)c2)CCC1	391771453	FKDXPZWVSKSFLB-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
CC[C@H](CC1CC1)NCCC1CCCCCC1	394552392	BALOUJJPNKLFRO-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCC[C@H]1CNc1ccsc1Cl	394824470	JKGMPTAIYNICCI-UWVGGRQHSA-N	243.803	4.640	0	10	BJAE	
CCCCCC[C@@H](C[C@H](C)c1ccccc1)NC	395052911	QUDOCTRWKFMDKC-RDJZCZTQSA-N	247.426	4.739	0	10	BJAE	
CCOc1c(C)sc2cc(C(F)F)ccc12	396252549	ULSMWNOKRYCUOC-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1cc(C)cc2scc(C(F)(F)F)c12	396294765	BTBIRGVEQYHHDN-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1scc([C@@H](N)CCC2=CCCCC2)c1C	399927719	NRDCWXFEKYYZHU-HNNXBMFYSA-N	249.423	4.645	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C1CCCCCC1	400463452	MWMVJLPMMQTTQA-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Cc1ccccc1COc1ccc(Cl)cc1C	400935266	FCRJWJWRCOOGLU-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1CC[C@H]2C[C@@H]2C1	403392951	NMAYHXRMNAEYMF-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
C[C@H](O)c1cccc(-c2cccc3ccccc23)c1	404992430	GNHNSOAZAUKRTM-ZDUSSCGKSA-N	248.325	4.560	0	10	BJAE	
CCCC1(CNc2cc(C)ccc2Cl)CC1	687545723	DUANQJZCCMXKFQ-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CC(C)C(Nc1ccc(C2CC2)cc1)C(C)C	690089373	QJSRGTLUIIFKBV-UHFFFAOYSA-N	231.383	4.657	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1NCC1=CCCCC1	691086024	YVOPOPWLIIQQLB-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cccc2ccccc12	696175816	DXSYKWGKNGPOKR-MRXNPFEDSA-N	241.378	4.666	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@H](C)C1CCCCC1	696176488	JITKMAWQOSQLKP-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)CC(C)(C)CC	696250852	WPJSLTAIDDWNKQ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C[C@@H](C)C(C)(C)C	696642935	BTOKEQUGUSYQFP-OLZOCXBDSA-N	227.436	4.602	0	10	BJAE	
CCCc1ccc(C(=O)[C@H]2C[C@@H]2C(C)(C)C)cc1	699797928	ILGAJPYPPUWOSP-GJZGRUSLSA-N	244.378	4.504	0	10	BJAE	
CCCCCC[C@@]1(CNCC(C)C)CC1(C)C	702119424	UBGMWVYYWCFJMY-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](C)C(C)(C)C)c(Cl)c1	704542581	GNYYBCWRDVCJGD-SNVBAGLBSA-N	238.758	4.513	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H]1CCCC12CC2	706202433	YIPFEAYKDAIUQU-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](C1CCCCCC1)[C@@H](C)CC(C)(C)C	708298613	YWCDHVRRGVYBMH-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](COc1ccc(Cl)cc1)CC(C)(C)C	709111005	NADJSLDLNFNTTQ-LLVKDONJSA-N	240.774	4.791	0	10	BJAE	
C[C@H](COc1ccc(Cl)cc1)CC(C)(C)C	709111526	NADJSLDLNFNTTQ-NSHDSACASA-N	240.774	4.791	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@H](C)CC(C)(C)C	709120901	ATYHUWJPAWDIAY-IHRRRGAJSA-N	228.420	4.636	0	10	BJAE	
C[C@H](NC1CCCCCCC1)[C@]12CCCC[C@@H]1C2	709153740	JNVSVYRKJRDHOQ-ZMSDIMECSA-N	249.442	4.658	0	10	BJAE	
CC[C@@]1(C[C@H](C)CC(C)(C)C)CCCCCN1	709195440	ZXJVSNGAHICSIN-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C2CCC3(CC2)CC3)C1	709976604	IMKIJYLATPVGJK-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(=O)C23CCC(CC2)CC3)c(C)s1	710084491	BTEGFONJZJXRTA-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)C(C)(C)C)C(C)(C)C	710757686	AGGMBVRMEMYLMB-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)CCCC(=O)c1cscc1Cl	711566500	SDFICVKCFKVSMC-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
CCC(C)(C)C[C@H]1C[C@H](C(C)(C)C)CCC1=O	713306642	PKVUAXGLSMDAJS-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C\CCN[C@@H](CC)c1ccc(Cl)cc1	713503215	HKYVUYUFLBHBCL-YVACAVLKSA-N	249.785	4.513	0	10	BJAE	
C=C/C=C/CC[C@@H]1CCCCC[C@@H]1CNCCC	713711010	QFHJGHOQJPQEFH-SDKBWNRFSA-N	249.442	4.705	0	10	BJAE	
C=C/C=C/CC[C@@H](NCC)[C@H]1CC[C@H](CC)CC1	713732788	VMJWWZDJXYGWPS-RMGSUIBPSA-N	249.442	4.703	0	10	BJAE	
CCCCCC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	714424562	OYHBVIVHDDOJGI-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CCC(C)(CC)C(=O)c1cc(C)ccc1Cl	721735905	JGHIRJFYVQNFFF-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2C[C@@H]2CC)CC1	723131544	RBHDBVWLAOPWRX-PYBGIAKNSA-N	237.431	4.501	0	10	BJAE	
CCCCC1CCC([C@@H](N)C[C@@H]2CC23CC3)CC1	723182914	NZDIIGQNRNNGEG-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(Cn2ccc3cccc(Cl)c32)C1	723548512	SLBVNXRRNHZMJU-UHFFFAOYSA-N	247.769	4.731	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C1CCCC1)C1CC1	724015862	XXCQSRDXGYLFDL-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@@]23CCCC[C@H]2C3)CC1	822062076	AMMCBIRWRPHIJB-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C=C/C=C/CCN(C(C)C)[C@@H](C)c1ccsc1	1654767445	RHUDCQGUKNHIKK-UZYOAWRESA-N	249.423	4.652	0	10	BJAE	
CC1CC(CN[C@H]2CCCCC23CCCCC3)C1	1875416996	AOLXWEWHSJRVFI-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](O)CCCC[C@@H]1CCC(C)(C)C1	1903403221	IUHRZBYHMDNOLO-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)CC1(C)CCCC1	1905452405	CRIPUWNKZQOXJW-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C(=O)CC[C@@]12CCC[C@@H]1C2)C(C)C	1908424959	SAEUWKBBCMOHMF-IJEWVQPXSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)N(CCC[C@@H]1C[C@H]1C)CC(C)C	1908544097	AXTVWOKUPRIRAN-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)CC1CCC(C)(C)CC1	1910140957	ZQFFIDPMKSKLON-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1C[C@H]1C1CCCC1	1910741575	YZLLMEJPHYTCGB-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC1(CC(=O)C[C@@H]2C[C@H]2C(C)(C)C)CCCC1	1910795270	QKJKZADBOMTZEL-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H]1C[C@H]1C(C)C	1910810045	VNEVDQFLOYPTIO-ILXRZTDVSA-N	238.415	4.700	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(OCC)cc1	1912050082	MISULNWABCLLMY-CYBMUJFWSA-N	218.340	4.545	0	10	BJAE	
CC[C@H](N[C@H]1CCC2(CCCCC2)C1)C(C)C	1915854101	FOCBAPOFTIWZCU-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@@H]1CCCC12CCC2	1921631561	ZYULWDIBWKSIRD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
FC(F)CCCC[C@H]1C=CCCCC1	1925856369	FRVYTRNQFBNQAL-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
Clc1ccc(C[C@@H]2C=CCCC2)c(Cl)c1	1932605920	AKPXGGAMGOZSPL-SNVBAGLBSA-N	241.161	4.892	0	10	BJAE	
CCC[C@H](C(=O)c1csc(Cl)c1)C(C)C	1933563948	ZYUIIKOQKNZVMU-JTQLQIEISA-N	244.787	4.657	0	10	BJAE	
CC(C)C[C@H](N)C1CCCCCCCCC1	1938719269	RTVCKLHOGLOCLV-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)C(CC)CC	1940410013	QLCOFBKZELPIJE-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccccc1C(C)C	1940615816	HZDIQXUESMMMNR-MRXNPFEDSA-N	234.383	4.670	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CC[C@@H]1CC1(C)C	1940863971	QJBSBIYYIGIGNT-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCCC[C@@H]1CC1(C)C	1940885485	ZIQQZEMHONAYQP-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]3CC[C@H]32)cc(C)c1Cl	1941018916	HMNOOJGHUUARBQ-IACUBPJLSA-N	249.785	4.557	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CC1CCC=CCC1	1941794159	WCZZJORUMSCALB-HOTGVXAUSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H]1CCCCCCCCCC[C@@H]1F	1942039177	OAJMQXAMRGSURA-GJZGRUSLSA-N	243.410	4.607	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC(C)C)C(C)(C)CC	1942662259	PRRZPDFHOIFBDU-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@]1(CNCC)CCCC1(C)C	1944480544	LLZWKTXTZQJAOR-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)c1ccc2sccc2c1	1945754028	XMQBZSPMCNZKOE-LBPRGKRZSA-N	244.359	4.520	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)c1cccs1	1947591733	GGEVAQWSAHLUIO-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
CC[C@@]1(C)C[C@H]1NC1CCCCCCCCC1	1947878170	FGMXLYLGGDVRPJ-CVEARBPZSA-N	237.431	4.658	0	10	BJAE	
CCC1(CC)[C@H]2CCCCCCCC[C@@H]2[C@H]1N	1947881901	UIUKWXAZAGJUHM-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H](C)CC(C)C)c(C)c1	1948323773	RQZIJBZXQPSHFI-DZGCQCFKSA-N	233.399	4.786	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)CCC1=CCCCC1	1949051532	OXFIFYSCQRPPOS-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)C=CCCC1(C)C	1949663480	WZABVUOKNQFWGU-CZUORRHYSA-N	237.431	4.523	0	10	BJAE	
CC1CCC(CC(=O)CC2CC(C)(C)C2)CC1	1949733416	JVLGOKGSBGTYHP-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CC(=O)CC1CCCC1	1949862560	RKMQQGBVCIJYGO-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CCC=CC[C@H](C)c1cc(CC)ccc1OC	1951308823	OQKVXHFPKSWZBG-ZDUSSCGKSA-N	232.367	4.717	0	10	BJAE	
CCCC[C@H](C)c1ncc(C(C)C)s1	1956203475	KGNQULUMARXHFI-JTQLQIEISA-N	211.374	4.560	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCCC23CCC3)C1	1967790057	BCDFCHJJWZPPDC-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CSc1ccccc1N[C@H]1CC[C@@H]1CC(C)C	1968328279	JQKYWWYQOUTROO-OLZOCXBDSA-N	249.423	4.645	0	10	BJAE	
CCC(C)(C)CCN1CCCCC12CCCC2	1969768590	VGLWYLUWOOAVIT-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC[C@@H](C)C(=O)[C@H]1CCCC(C)(C)C1	1978375737	TYAGKDUGSZPPET-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCCC1CC1	1978451823	PYBDIPCIJNHAAP-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)c1cccs1	1986949260	WITNSPDPNJVESD-QWHCGFSZSA-N	239.428	4.614	0	10	BJAE	
CCC[C@H](CCC1(CCC)CCC1)NCC	1988467407	VDDFKLNIJUSGRB-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC(CC)CC	1995215280	UESCWJJLOGEECF-ZDUSSCGKSA-N	226.404	4.988	0	10	BJAE	
CCCC[C@@H](C)CCCNc1ccccc1	1995258945	JCSRDWBUHSUDLX-CQSZACIVSA-N	219.372	4.705	0	10	BJAE	
CC(C)CCCCCN1CC[C@H](C)C[C@H](C)C1	1995764187	MLLUDMLWMXCAFF-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
CC1CCC([C@@](C)(O)C2(C)CCCCC2)CC1	1995992521	ZCIHVWCGBDDGTF-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)[C@H]1CCCC(C)(C)C1	2000034029	PMGXETMIRFPDQY-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CN(CCC(C)(C)C)[C@@H]1CCCC(C)(C)CC1	2000896269	IFBAEVLRCAQOJP-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCCCN(CCC(C)(C)C1CC1)[C@H](C)CC	2000900941	TWLVWQMJUSWUBC-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1[C@H]2CCCCC[C@H]21	2002801070	MPTQXNIVUWPBHN-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@H]1CCC2(CC2)C1	2003197130	JJFXGKJZIWYDET-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@H]1CCC2(CC2)C1	2003220235	GKPJVRYAPMFCMJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CC[C@@H]1C=CCCCC1)c1cccs1	2003679150	HIWYIFPHYPCWBG-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
C[C@@H](NCCC1CCCCCC1)C1(C)CCC1	2004832552	FCQFLELRZRGOJA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)[C@H]1CCCCC12CCC2	2005562772	FDEJBAHPAKHQMW-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@@H](O)CC1CC(C2CCC2)C1	2007761310	QUQICKMLPZJIST-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC(C)(C)C[C@@H]1NCC	2009626551	FLGQLKKKWNGGON-ZWXLGZMVSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CC12CCC(CC1)C2	2012817654	KBEDHAMLQVHJCA-SLTAFYQDSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CC[C@@]1(CNC(C)(C)C)CCC1(C)C	2014845734	IAYGPGGGFJFSNV-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(CC1(CO)CCCCCC1)C(C)C	2015289842	FEUGERLYCATLKX-UHFFFAOYSA-N	240.431	4.638	0	10	BJAE	
CC(C)C(C[C@@](C)(N)C1CCCCC1)C(C)C	2015401972	VOMKQCLJMJIELE-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CC(C)CNC[C@H](C)CCC(C(C)C)C(C)C	2015408999	NGYDKUXDJCHMIT-OAHLLOKOSA-N	241.463	4.577	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCC[C@H](C)C2)CCC1	2015589639	XVNPKPBWNAMQNR-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(O)(CC2(C(C)C)CCC2)CC1	2017113574	BCMASMQWGQACMN-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@H](O)CCC2(C)CC2)CC1	2017716441	RZFVOMDNFWHRKA-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@@H](C)[C@H](C)NC(C)C)CC1	2017723249	SROOJHOSDSJQME-QVOMUQBLSA-N	239.447	4.616	0	10	BJAE	
CCC1CCC(Cn2cc(C)c(C)c2C)CC1	2017776291	NBZUBPADBFGHAF-UHFFFAOYSA-N	233.399	4.630	0	10	BJAE	
CCCC[C@@H](CC)CN(C)C1(C)CCCCC1	2019187316	ABMXDYNCFMLEJO-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](C)CCC(F)F	2019193166	LJIAJTXGFMGDIC-OLZOCXBDSA-N	249.389	4.568	0	10	BJAE	
CCCCN([C@H]1CCCC[C@@H]1CC)[C@H](C)CC	2019198871	JJLFHELSCFJLJH-PMPSAXMXSA-N	239.447	4.856	0	10	BJAE	
CCCN(C1CCCC1)[C@H]1CCCC[C@@H]1CC	2019199800	MJCVQGUKIBIVNO-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCCCCCN(C)[C@@H]1CCC12CCCCC2	2019289787	DRKPUBCFQQHMNF-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1N(C)CCCC(C)(C)C	2019326031	QZFZDWZQEJJMQR-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)C[C@@H]1CCCC(C)(C)C1	2019386122	QYESNGBHCYMILP-RRFJBIMHSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC[C@@H](C)C1CCC1)NCCC	2019850158	QTILBWKEPOGAPU-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC1(CC(=O)C[C@H]2C[C@@H]2C(C)(C)C)CCCC1	2022557731	QKJKZADBOMTZEL-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@H]2CNc3ccccc3C2)CCCCC1	2027309914	VRMOYKOPNNPVPH-AWEZNQCLSA-N	243.394	4.631	0	10	BJAE	
CC1(CCCN[C@@H](C2CCCC2)C2CCC2)CC1	2027830972	KPJWDKYSUBHAME-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC2CC2)CC=CC[C@@H]1C	2027913623	QTGZRCGRSNHJBI-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc2c(c1)N[C@@H](C(CC)(CC)CC)O2	2028020711	BEESGMWVNSJWNM-OAHLLOKOSA-N	247.382	4.596	0	10	BJAE	
CC(C)CC[C@](C)(N)c1ccccc1C1CCC1	2028548394	CVWVWZFVYSFNTR-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1cccc(C2CC2)c1	2028552804	SLKZUOFDMLQBPC-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CC(C)(C(=O)c1ccc(C2CC2)cc1)C1CCC1	2028599278	YNHRXSKBLGNUIB-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
C[C@@H](CN1CC=CCC12CCCC2)CC(C)(C)C	2032660116	OGULEWPZRVDRSQ-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
O=C1[C@H]([C@@H]2C=CCCCCC2)C[C@@H]2CCCC[C@@H]12	2034266218	XBMAKBULIUTJMK-QXSJWSMHSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC(C(=O)C[C@@H]2C=CCC2)CC(C)(C)C1	2035564999	IQNPFUMCWPTQPA-CYBMUJFWSA-N	248.410	4.764	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC)C[C@H]1C[C@@H]1C=CCC1	2035601248	OSUMOETWBKLNIL-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(c1cccc(C)c1)[C@@H](C)CCC(C)C	2037210098	QLXZLWRGNNDDDZ-RDJZCZTQSA-N	247.426	4.631	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1c2ccccc2NC[C@@H]1C	2037223521	JYFWCQWOICCHES-DZKIICNBSA-N	245.410	4.904	0	10	BJAE	
CC[C@@H](N[C@@H]1C=CCCCC1)c1ccc(C)cc1	2039032666	OXXXMHUCFGMWQZ-IAGOWNOFSA-N	243.394	4.535	0	10	BJAE	
CCCC(C)(C)[C@H](O)Cc1ccc(C(C)C)cc1	2040723704	NHXZXBQYXKQKIU-MRXNPFEDSA-N	248.410	4.540	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CCC1)[C@@]1(C)CC=CCC1	2042019268	MRLFOUAOCKJITD-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@]1(C2CCC(CC)CC2)CC=CCC1	2042089262	NLBOPOSLWHPVRG-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CC1CCC([C@@H](C)N[C@@H]2CCC3(CCC3)C2)CC1	2043607567	SKBXZUBVNWHFST-GYTBAZASSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@H]1CCC=CCCC1	2045308828	XBPWBNYLZOQNTG-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@H]2CCC=CCCC2)cc1	2045334819	LVWCZWQLEDSTIQ-RDJZCZTQSA-N	244.378	4.555	0	10	BJAE	
Cc1ccc(NC2CC3(CCCCCC3)C2)cc1	2046226258	GEPOUJPFOLKMNT-UHFFFAOYSA-N	243.394	4.910	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2CC23CCCCC3)C1	2047017204	UHQHIBGJGWZTNW-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1(CC(=O)C2[C@@H]3CCCCC[C@@H]23)CCCCC1	2048364900	CQSMCAIMGYUEES-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
N[C@@H]1[C@@H]2CCCCCCC[C@H]2C12CCCCCC2	2049671018	ACUNQMFVJXNWNT-BZUAXINKSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCC1(C)CCC1)c1ccccc1C	2050456802	VCUIATLKSQPSGO-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H](C)c2ccc(C)cc2)CCC1	2055539132	HFIUHTZUTXTVAO-DOTOQJQBSA-N	243.394	4.535	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C2(C)CCC3(CC3)CC2)C1	2056556290	GYDULMWAIQLXJJ-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@]1(CNC2CC2)CC[C@H](CC)C1	2059258547	HNFPNSMQQFOKIY-JRKQMZJPSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H]1CC12CCCC2	2059265901	AZXRUYYIRWLSHS-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@H](CC2(C)CCCC2)NC)CC1	2061141222	UCNASDVUWXVTFO-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)[C@H](C)C1CCCC1	2061148931	YTLDKMTXCVGCEX-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(NCC[C@]23CCC[C@@H]2C3)ccc1C	2061572126	OXGHEDRQTZNHNW-WBVHZDCISA-N	243.394	4.550	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C1CC(=C2CCC2)C1	2061730098	DWCVZUCTQQQYFP-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(N)CCCCCC12CC2	2062008518	FGLHYYBVJQUZGN-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccccc1C(=O)CCC[C@@H]1C[C@H]1C	2062624987	MVAPXFGFUGZFMM-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNc1ccc2ccccc2c1	2062650530	DYBVOYIVZFKKQV-HIFRSBDPSA-N	239.362	4.688	0	10	BJAE	
CC(C)c1cccc([C@@H]2CCC[C@H](C(C)C)N2)c1	2066380156	FOTSIXVYSLHJKQ-SJORKVTESA-N	245.410	4.649	0	10	BJAE	
CC=C=CCCN[C@@H](C)c1ccc(C(C)C)cc1	2067323537	XNEQHABOHCOKKB-RVTFPFDGSA-N	243.394	4.582	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2CCCC3(CC3)C2)CCCC1	2067531254	YFYJNNDGVQUDLQ-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NC[C@@H]1CCC=CCCC1)C1(C)CCCC1	2067540610	QECIYHLNLIQECH-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC1(CN(C)C2CCC3(CCC3)CC2)CCC1	2069324793	VMNKGKKOPYONJK-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C=C=CC[C@H](CC1(C(C)(C)C)CCC1)NCCC	2071946091	MNQLUZLJSQPKAX-OAHLLOKOSA-N	249.442	4.692	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC1CC2(C1)CC21CC1	2072237772	ZVEPROVPZLJSRX-DXCHVLGVSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)[C@H]2CC23CCCCC3)CC1	2072799480	TXPGNJNWRINYDO-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CC(=O)C2CC3(CC3)C2)CC1	2072868648	HVJBDJSUPWSYOT-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CCCC=C2C)CC1	2072880725	ZEGZWFAPGMSPRV-OFLPRAFFSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)[C@@H]2CCCC3(CC3)C2)C1	2073795244	QHJWINVFGLDMQR-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@]12CCCC[C@@H]1C2	2074031336	YHHMZSLLLKBNKE-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC=C(CC)[C@H](NCC)c1ccc(C2CC2)cc1	2077191083	ZBSORWFEEXEZMP-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2C[C@@H]3CCC[C@@H]3C2)c1	2077263705	BRTURCHTARJCNH-QDMKHBRRSA-N	241.378	4.555	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@H]1C[C@H]1C1CCC1	2079445642	YMQMZPKKVNRZEC-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@H]1C[C@@H]1CCC	2079448202	ULTWRWMXRVAYIO-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC1(N)CC2(CCCCCC2)C1	2079861399	FBEMPUSGHNIGJW-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](Nc2ccc(C3CC3)cc2)C1	2085245096	QPVGAJMZHVNTCS-DOTOQJQBSA-N	243.394	4.801	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1scc(C)c1C	2210567770	NHRROWKUNAMJEX-GFCCVEGCSA-N	239.428	4.581	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)CCCCC2CC2)C1	2214562885	LVPGJEORNYEVGL-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](CC[C@H]1C[C@@H]1CC)NC	2215255140	QNPFOUJGOXYSGI-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CC1(C)CC(C)(C)C1	2215395210	WWHLMDBCSQKQQN-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC=CCCCN[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216248491	XVIZXHTUUDBGBT-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCCCCCCC1CC1)CC1CC1	2216878709	FAQBYGXZTVQJFT-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCCC1CC(NC2CC(CC3CC3)C2)C1	2218480275	OTBQEPYGWWJLLG-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)CC1(C)CC2(CCC2)C1	2221015986	KRPFVRYAKXJAFJ-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CC2(C)CC(C)(C)C2)C1	2221085876	KTCOXQDYJZHWIZ-GXTWGEPZSA-N	248.410	4.764	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)CCC2(CC2)C1	2223113011	KTXMAYDPJFBEOE-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC12CCC(CC1)N2CCCCCCCC1CC1	2223115560	YHYWUVYTBANQQH-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CCC2)CC12CCCCC2	2223554200	DLSUMGJUKIMWOF-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CCCC2)CCCC12CC2	2223601235	WENGFWDTFUFYBN-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1cccc2ccoc12	2224195383	CLXUZDTYJRFPRZ-HIFRSBDPSA-N	246.350	4.539	0	10	BJAE	
CCCC[C@H](O)CCC[C@@H]1CCCCC12CC2	2246627806	UBZNEIHUKBAGEG-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2C=CCCC2)C1	2246667310	XXQQJDYSPFLRDR-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCC[C@@H](C)C1)CC1CC1	2246732713	NBSDSQILNGXIPH-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)CC1CCCC1	2247112088	JLVKVYFEPPWFEF-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCCOc1ccccc1CC1=CCCCC1	2247498725	LOIQEPGWVTXRMY-UHFFFAOYSA-N	230.351	4.518	0	10	BJAE	
Fc1ccc2oc(CC3=CCCCC3)cc2c1	2247515236	UIRBUQYRUSZWHQ-UHFFFAOYSA-N	230.282	4.615	0	10	BJAE	
CC(C)CC[C@](C)(N)CC[C@@H]1CCCC12CC2	2247601801	MMNDKPLOVJDECO-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC[C@@H]1CCCC12CC2	2247620730	VMHYQDAJCJPZHF-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@@H]1C)CC(C)(C)C	2248818955	GVPMDIAFRTYMKI-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1CCC(C)(C)CC1	2250356492	QSHRGXNJYBLOTA-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CN[C@H]1[C@@H](CCCCCC(C)C)CCC1(C)C	2251724636	YYTXPBRJYSVXGI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Fc1cccc(OCC[C@@H]2CCCCC23CC3)c1	2253801033	BDMVADQQEYDNGZ-ZDUSSCGKSA-N	248.341	4.565	0	10	BJAE	
C[C@@H](C1CCC1)[C@H](N)CC[C@@H]1CCCCC12CC2	2253866438	QYYIZXUSSJUMGB-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@]2(C)CC=CCC2)C1	2253936763	FUTLYKDJICMMRC-INMHGKMJSA-N	248.410	4.908	0	10	BJAE	
N[C@@H](CC1=CCCCC1)CC1CC2(CCCC2)C1	2254104692	DPJKFNPDLZDFMI-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@H]1CCC12CCC2	2255019919	WETRBYPGSQRVPP-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@@H](N)CCCC(C)(C)C)cc1	2256295644	HLUNTFXBXRYKGW-INIZCTEOSA-N	247.426	4.855	0	10	BJAE	
Cc1cc(N[C@H]2CC(C)(C)C[C@@H]2C)cc(C)c1C	2258235162	GDALBAQJJQOPBT-BBRMVZONSA-N	245.410	4.848	0	10	BJAE	
CCC1([C@H](C[C@@]23CCC[C@@H]2CC3)NC)CCCC1	2260613841	XUXQUTBLUOOPHG-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)C[C@]12CCCC[C@@H]1CC2	2260681994	FDPVINGHNBIASK-YALNPMBYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cc(NC(C)(C)C(C)(C)C)ccn1	2260740759	SXVRUOFZUXKGJZ-UHFFFAOYSA-N	248.414	4.616	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCNc2ccc(F)cc21	2261340409	WEKBLXZAVIWFAB-GFCCVEGCSA-N	249.373	4.941	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@@]12CCCC[C@@H]1CC2	2298726995	OFYKDVRKEOUCPV-OAGGEKHMSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@@H](C)CC1CCC1	2298936481	QKRWIHJRNSWELC-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CNC[C@@H](C)[C@@H](C)CC=C(C)CCCC(C)C	2300883238	BSEZEEGQNUCQBZ-JKSUJKDBSA-N	239.447	4.641	0	10	BJAE	
CC(=CC[C@@H]1CCCC[C@@H]1N)CCCC(C)C	2300901597	LCBUIZPJLNDIBN-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)CC1(C(C)(C)C)CCC1	2301919608	QUOZRBWLTJFSOJ-DZGCQCFKSA-N	240.431	4.636	0	10	BJAE	
O=C(CCCCC1=CCCCC1)CC(F)(F)F	2302356523	OBVUAOQIPVEISE-UHFFFAOYSA-N	248.288	4.569	0	10	BJAE	
C[C@H]1CC(CCC2(N)CCCCC2)C[C@H](C)C1	2302558978	AVJYHUOJYOWHKW-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](O)(C[C@H]1CCC(C)(C)C1)C1CCC1	2302709602	JMMXGJKJCKLZJX-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@@H]1CC[C@@H]1C(C)(C)C	2303361541	LKIROJLJJNFVIM-ILXRZTDVSA-N	238.415	4.556	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CC[C@@H]1C(C)(C)C	2303393172	NTILMZUTRSSNPG-HZSPNIEDSA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1NC1CCCCCCC1	2303396206	CVJZOACQZWNQOA-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CC[C@@H]1C(C)(C)C	2303453706	IDURXOWTGXFPSU-OCCSQVGLSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CCCC2CC2)CC1	2303532529	QEDZFPVYRPILNM-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CCC2(C)CC2)CC1	2303595822	YCZFXKOLLCZOJA-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](C)c2ccsc2)c1	2304017151	LJAZWDDGZOXLEV-JTQLQIEISA-N	249.354	4.623	0	10	BJAE	
CCCC1([C@@H](O)CC[C@H]2CCC(C)(C)C2)CC1	2304357617	ARSKGOSSPCPHEV-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1CC[C@H]1CCC(C)(C)C1	2304420997	SHPSBIPUOJALFS-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(=O)CC[C@H]1CCC(C)(C)C1)C1CC1	2304438462	WMTRHFMVNWLGRQ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H](C)C1CCCCC1	2307895815	RYDATZHEWVVRRI-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@@H]1CC[C@@H]2C[C@@H]2C1	2309165531	KKYUHPQOSBOYDJ-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2CCC[C@@H]3CC[C@H]23)c1	2311331420	RGMCGAHPAIJHCQ-PVUWLOKVSA-N	241.378	4.555	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)[C@@H]2C[C@H]2C2CCC2)C1	2312670247	MKVRMXICENXAJA-LQKXBSAESA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@@]12CCC[C@@H]1CC2	2313290834	KRKXEWTUASUITC-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CC[C@H]1CCCN([C@@H](C)CC2CCC2)C1	2313608490	MGHWBNYZCWHFIN-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2313664835	KXRQYSRMVQMCPS-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](N)[C@]12CCCC[C@@H]1CCC2	2313687319	WDSOQJBVHPRKST-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC1[C@@H](C)C[C@@H]1C	2316594786	MOEAXUQXGXIELA-STQMWFEESA-N	245.410	4.576	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]21	2316884266	KUUXAEBZLORFPB-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317118006	FIHSUWHCUWEAIU-KLHDSHLOSA-N	249.442	4.536	0	10	BJAE	
C[C@H]1CC=CC[C@@]1(CO)CCCC1=CCCCC1	2318538789	MZEBUIIIMNDNKN-RDJZCZTQSA-N	248.410	4.622	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@@H]1C)C[C@@H]1C=CCCCC1	2318933152	ZCSZEJQRWBLFCI-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC(N)(CC2CC2)CC2CC2)C1	2319036036	CIRNIVBLEIHGEN-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)C[C@@H]2CC[C@@H]2C2CC2)CCC1	2319542262	ABUAVVHHPUWJSU-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(C[C@@H]2C[C@@H]3CCCC[C@H]3CN2)CC1	2319879702	ZSKZKISOCYERAK-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H](C)C1CCC1	2320405643	DFIBZJSMLXPXBT-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)CC2(C)CCCC2)CC1	2320409124	RAKLPEVZKKOIIR-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)CCCC2(C)CC2)CC1	2320415904	FNDLTAWOQUVJTL-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)c1cccc(C2CCC2)c1	2320656896	GTOWKDJBVTXTBK-AHIWAGSCSA-N	245.410	4.636	0	10	BJAE	
CC(C)CC12CC([C@]3(N)CCCC(C)(C)C3)(C1)C2	2321583876	IVYZPEUJUVMRLZ-JCYILVPMSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)C)C12CC(CC(C)C)(C1)C2	2321590013	OOHHFNBGPSDENL-KLAILNCOSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@H]2CCC[C@H]2C)c1	2327675251	JOBPYWRGHWLLCK-HIFRSBDPSA-N	244.378	4.737	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1c(C)cc(C)cc1C	2328214041	UHDUAWJJWAIPPV-HZPDHXFCSA-N	248.410	4.862	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccc([C@H]2C[C@H]2C)o1	2328278421	QDUDKSGSKDTVCW-ZOBORPQBSA-N	249.398	4.619	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)c2cccs2)c1	19952758	LBYBFAIBMFBWIA-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1ccc(C(C)(C)C)cc1	21786357	FRDALDFECWRODC-STQMWFEESA-N	233.399	4.831	0	10	BJAE	
CCC[C@H](C)Nc1ccccc1SC(F)F	21803712	BSNBOWWJTUJPHC-VIFPVBQESA-N	245.338	4.602	0	10	BJAE	
CCCCc1ccc([C@@H](N)C2CCCCC2)cc1	21819334	ZKAKTYRLMVJKER-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1	36858614	VADCFTVTIYEFOT-USXIJHARSA-N	245.410	4.868	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCC[C@H]1CC	37031867	UUDUMDXLNSJLKF-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CCN[C@@H](CC1CCCC1)c1cc(C)ccc1C	37864816	UEEMJJKZLSLTNS-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1ccc2ccccc2c1	54440897	XRRTYEVATHHZBO-DYVFJYSZSA-N	241.378	4.537	0	10	BJAE	
Clc1ccc(-c2ccsc2)c(Cl)c1	79885607	WSPOAUCWZJGLHD-UHFFFAOYSA-N	229.131	4.722	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@@H]1CCC[C@H](C)CC1	86879738	XGCXITSNLIZRRX-CWRNSKLLSA-N	245.410	4.614	0	10	BJAE	
C[C@H](N[C@H]1CCCC(C)(C)CC1)C1CCCC1	86909428	MKAXLBNFKDLJFO-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](CC)C(C)C	87399044	FJBZDDDGAAETCS-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H](C)c2ccoc2)cc1	94867980	GZSUGMYLGYMRCA-CHWSQXEVSA-N	243.350	4.966	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@H](C)C1	103993830	WCVWCPONKAIHOX-SWLSCSKDSA-N	231.383	4.548	0	10	BJAE	
CCCN[C@H]1CC[C@@H](C)C[C@@H]1CCC(C)(C)C	109661704	GPNSSFNANYWDOB-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](N[C@@H](C)c1c(C)cc(C)cc1C)C(C)C	109929253	WNIJEFHMHICHSU-JKSUJKDBSA-N	247.426	4.697	0	10	BJAE	
CCCCCC[C@@H](N)c1ccccc1C1CCC1	132627497	WLUMRLCBICIOJU-QGZVFWFLSA-N	245.410	4.924	0	10	BJAE	
CCC(CC)C[C@@H](N)CCC1CCCCC1	133366240	BZNLMYXSTQKKGB-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](/C=C(/C)C[C@@H]1CCCCN1)CC	157320697	UGIXZNDJKCWWJE-GBDTVTBQSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1ccc2ccccc2c1	163672966	HVMZEYUVPOELIY-INIZCTEOSA-N	241.378	4.537	0	10	BJAE	
CC[C@@H](Nc1ccccc1F)c1cccc(F)c1	166407802	YYHUGMBEDAPJLS-CQSZACIVSA-N	247.288	4.528	0	10	BJAE	
CCC[C@H](C)CC(=O)CCC1CCCCC1	168019033	JIKYFQOIALSBJX-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
C[Si](C1CCCCC1)C1CCCCC1	195815479	IFIGBRGDQHBFHJ-UHFFFAOYSA-N	209.429	4.780	0	10	BJAE	
CC(C)(C)CN(Cc1ccccc1)CC(C)(C)C	201361953	WASVLQMNWYDVNT-UHFFFAOYSA-N	247.426	4.581	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CC[C@@H](C)[C@@H](C)C2)c(C)c1	220648264	PWJQBCFMLJMDGA-WWGRRREGSA-N	245.410	4.848	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCC[C@@H](CC)CC1	226512503	FPTMIWZCFQFPKN-ARFHVFGLSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(O)CCC[C@@H](CC)C2)C1	226986211	LOBUMBXDPNEIPR-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](c1cccc(CC)c1)C(C)(C)CC	228860238	VEBBAAYFUHNYGW-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCC[C@@H](CC)NCC1(CC(C)C)CCCC1	233286336	UJTUGJQANOSFBV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC/C=C/C[C@@H](C)c1ccc(Cl)s1	238221251	QESGQQBSXAQEPO-XNPJLODASA-N	214.761	4.861	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1N	251242976	AWUPCWUGNNHHLM-LJISPDSOSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1NCC	251345419	MVCXWXHQDPHCSE-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1CCC(c2ccc(C=O)cc2)CC1	258383172	RRPQLVRFQYMLMX-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCC[C@H](C(C)C)C1	300316066	NEISFCMAUDYTEI-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)c1ccccc1C(C)(C)C	302569357	OTJJJXQPCZZCEU-BBRMVZONSA-N	247.426	4.666	0	10	BJAE	
CCc1ccc(Cl)c2scc(Cl)c12	306559137	QESJNCWGNRVTCW-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCCCCC(C)(C)CNc1ccnc(CC)c1	307769261	KOLDQWRQRCHCKU-UHFFFAOYSA-N	248.414	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(N)CCCCCCC2)C1	310227541	OCFDLASGTUQTKU-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CC[C@H]1CCC[C@@H](C)C1)CNC(C)(C)C	310508919	LGDTXAHKRMLVAR-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](N[C@H](CC)c1ccc(C)cc1)C1CC1	310700491	FOEZNKIYOCAJHE-IAGOWNOFSA-N	245.410	4.614	0	10	BJAE	
CCCCC[C@@]1(CNCC(C)C)CC=CCC1	317841214	HVGBXEWDUOZRJL-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](NC)c1ccc(C(C)C)cc1	318956501	YDSZGVSKGVVJHO-VBQJREDUSA-N	247.426	4.753	0	10	BJAE	
CCC[C@H](Nc1cccc(F)c1C)C1CCC1	322308953	XOPZTXSJVQRPOP-HNNXBMFYSA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H](CC)C2CC2)CC1	323894277	PJZWEWCTZVOLMQ-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C(C)C)C1CCC1	324924880	SPTXKXGAFDDLBZ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@H](N)C(C2CCC2)C2CCC2)CCC1	386443142	BWXMVQBIQDAXTQ-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
Clc1cccc(NCCCC2CC2)c1Cl	394504142	SWQWGQUEJAVCGT-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CCCCCC(C)C	394876467	XDUKRXVIGAUFFU-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CCOc1ccc2c(C(F)F)csc2c1C	396238136	JCOPLTWVROCCDC-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCC[C@H](Nc1cccc(CC)c1)[C@H]1CC1(C)C	397589256	IBXWHAFKUIJRJH-CVEARBPZSA-N	245.410	4.876	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@H](CC)CC(C)C	398910000	KXUFZEUDFAUIBP-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H]1CCCC[C@H]1C	400736143	QLDYOYLXLNBVPE-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
FC1(F)CCC[C@H](CCC2=CCCC2)C1	401165814	RNUKUSYYHNLAQX-GFCCVEGCSA-N	214.299	4.702	0	10	BJAE	
CCCCC1(CNC)CC(C)(C)CC(C)(C)C1	688045600	RROWCYNOTZFOHO-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](CC)C(C)C)c1	689596685	OGXRUFHOTUCSHL-HNNXBMFYSA-N	233.399	4.658	0	10	BJAE	
CCCCCNc1cc(C)c(Cl)c(C)c1	690245841	AQZCNTZTMVHSFI-UHFFFAOYSA-N	225.763	4.559	0	10	BJAE	
CCC[C@@H](C)CNc1cc(C)c(Cl)c(C)c1	690249389	PBMYQCNXVJZUSX-SNVBAGLBSA-N	239.790	4.805	0	10	BJAE	
CC(C)(C)CCC1(CNC2CC2)CC2(CCC2)C1	691486353	ULPNMPMYUUXPRD-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2CCCC3(CC3)C2)C1	695918860	SKRXJPULLZKUHB-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccc(C)cc1C	696674759	ZQPWQOGPFADHMI-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
C[C@H]1CC([C@]2(N)CCC23CCCCC3)C[C@H](C)C1	705263479	BJLCPHIQVPKFTG-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)C[C@@H](C)CC(C)(C)C	709107526	QQOYJJPOWCEUDZ-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
Cc1cc(C(=O)[C@@H](C)CC(C)C)sc1Cl	709116175	FLNRUYMRUSHSFM-QMMMGPOBSA-N	244.787	4.575	0	10	BJAE	
CCCCC[C@@H](NCC)c1cscc1Cl	710472431	GWEOIQRHMCABJZ-GFCCVEGCSA-N	245.819	4.632	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@@]1(C)CC[C@H](C)C1(C)C	713262536	MQIRNZBUCCYAIY-HEHGZKQESA-N	239.447	4.602	0	10	BJAE	
C=C/C=C/CC[C@H](O)c1ccccc1C(C)(C)C	713668448	XBIVKNPTFOLROA-MOEXGYKKSA-N	244.378	4.540	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CC[C@H]2CCCC[C@H]21	714279760	CPPMMHHEUPPBRM-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2	718566505	MKURNNQBEMVBLP-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@H]1CCCC12CC2	719308391	NEYVQSKNKXVCLC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC(CC)CC)C(C)(CC)CC	721738602	XSFBPUVVGUIFKZ-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
N[C@]1(C2CCCCCC2)CC[C@H]2CCCC[C@H]2C1	723613699	QXAINCNVDROJIL-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(-c2cccc3sccc23)ccc1O	1242118954	DQTTUHRSDPKBIT-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
C/C=C/CCCN(Cc1ccccc1)[C@H](C)CC	1880242865	LTKNFZHDTPFXTG-MQDFFIGUSA-N	245.410	4.643	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H](C)CC1CCC1	1899416519	NCIHTBCYRMCVAO-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CC[C@](C)(N)CCCC(C)C	1900695782	FZTCVLIVBUHXCZ-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC1CCCCCC1	1901056059	UDQHOFNNEDIQSD-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCCN(CCCC)[C@H](C)[C@@H](C)C(C)C	1901718986	AHHZPFSZVFKHAQ-LSDHHAIUSA-N	227.436	4.569	0	10	BJAE	
C=CC=CCC[C@H](NCCC)c1ccc(C)s1	1912003891	UTVAFWMAHYCKEE-AWEZNQCLSA-N	249.423	4.620	0	10	BJAE	
C=CC=CCCC1(CNCC(C)C)CCCCC1	1912025031	LKNRHSZJFOSFFA-UHFFFAOYSA-N	249.442	4.705	0	10	BJAE	
CC1(C)C[C@H]1CCCC1(N)CC2(CCCCC2)C1	1912612945	AIRPBWNMHKPOTG-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CCNC[C@]1(CCCCCC(C)C)C=CCC1	1916362724	XGOHTSASOGZALC-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC1(C)C[C@H]1CCCN[C@@H]1CCC2(CCCC2)C1	1916436395	IAXSSFPVNOWARN-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CNC)C=CCCC1	1916565733	UGDPYIFSQXYXCG-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C1CCCCCCC1	1921420104	OFUCZMXLSXJKCS-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@H]1CCCC12CCC2	1921636256	MVDDOFJHUOMVND-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
O[C@@]1(C[C@@H]2C=CCCCC2)CCCC12CCCC2	1925905371	WFTYLCICBPDDKU-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
C1=C[C@@H](C[C@@H]2CCc3ccccc3N2)CCCC1	1925927782	OUCADFFVMFNEFV-ZBFHGGJFSA-N	241.378	4.550	0	10	BJAE	
CCC(CC)CCN[C@@H](CCC(C)C)C1CC1	1926160140	UJXPZRKOTBMZGS-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1926186392	RZZFRIAHTHEALM-NHAGDIPZSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CC(=O)c1cccc2ccsc12)C1CC1	1940720323	NCLCLIPQMGGXCH-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H](CC(C)C)C(C)C	1941266972	MBBQTZARJXSYQU-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CC(C)(C)C(C)C)NC	1941268179	BTZNKELVGIEUQJ-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CCC1CCC1)NCC	1941269551	SAHVJTLHPLOBKN-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](NC)C1=CCCCCCC1	1941270623	ZRRUGFUBVMCXIR-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@H](CC)C(C)C	1941272514	LIXYYFJHXZKWAA-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCC1([C@@H](O)CCCCCC2CC2)CCC1	1941572462	AQHZVTODDQNELU-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CC2CCC=CCC2)C1	1941792885	KKERIKFLZQIARZ-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC(C)(NCCC2CCCCCC2)C1	1942002952	GKZATEIMMPPWRS-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC1([C@@H](O)c2cccc3sccc23)CCC1	1945963110	VYSOZURNBCDGFQ-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
C1=C[C@H](Cc2cccc3ccccc23)CCC1	1947553285	WSEVLHRTZVKYAR-AWEZNQCLSA-N	222.331	4.739	0	10	BJAE	
CCC(F)(F)CC[C@@H](O)C1(C)CCCCCC1	1947884789	JCSLLUYOJOVUQG-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C[C@H](N)CCC(F)(F)CC)C(C)(C)C	1947989893	DCFNJDYJKPRZKQ-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
CC(F)(F)CCC1(O)CCCCCCCCC1	1947990386	IUGXCHMIKLQYTQ-UHFFFAOYSA-N	248.357	4.677	0	10	BJAE	
CCCC1CCC(NC2CC(C)(CC)C2)CC1	1948391604	HBERKGDXYIFUAV-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C1=CCCCCCC1	1948952278	WQLMWJHJWTXXKZ-HOCLYGCPSA-N	237.431	4.811	0	10	BJAE	
CCCN[C@H]1C[C@H](C(CC)CC)CCC1(C)C	1949652516	DWHKLDLFUJOZKS-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C(=O)[C@@H]2CCC[C@H](C)CC2)CC1	1950930447	PASIUJZTKLKPLZ-FGZQJIAISA-N	236.399	4.598	0	10	BJAE	
C[C@@H](Nc1ccsc1Cl)C1CC(C)(C)C1	1959162012	UAGJVPSEPWGWGT-MRVPVSSYSA-N	243.803	4.638	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2C[C@H]2C2CCCC2)CC1	1966024209	ZNMILESFHJYDQK-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(NCC2[C@@H]3CCCCC[C@@H]23)c1C	1968254382	GFYLNADXUSHBML-HUUCEWRRSA-N	243.394	4.542	0	10	BJAE	
CC[C@H](N[C@@H](C)CCC1CC1)C1CCCCC1	1969167367	REXBMUVXGVUHSY-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)C2CC3(CCC3)C2)C1	1970281580	OADLPWLRIGCZQW-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@H]1CCN[C@@H]1CCCCC12CCCC2	1970801235	GWUMGHZIXJCJAT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)CCCC(C)C	1973172403	RKMQOIJDFDDXDR-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@H]1CCCC[C@H]1C	1978455811	OFFQAMBYPVXKSG-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@](CC)(CNCCC)C(C)C	1986409163	HPBJLCHPRUFADE-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCCCC(C)(C)N[C@H]1CCCC[C@@H]1CC	1987100876	BMDSVWQTVFLZRU-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(OCCC2CCC2)c(C)cc1Cl	1989925654	CHLLPUREULCGBZ-UHFFFAOYSA-N	238.758	4.526	0	10	BJAE	
C[C@@H](CN(C)[C@H](C)CCC1CC1)CC(C)(C)C	1995742741	AAUCTCNVVSWZJI-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(C)CN1CCCCC12CCCCC2	1995812976	MFHGKRAMXFQFSZ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)C1(C)CCCCC1	1995986363	DOTPLADJQOGEQX-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCc1cccc(-c2cccc(O)c2Cl)c1	1996280450	FBJWUOVYJVYFSP-UHFFFAOYSA-N	246.737	4.665	0	10	BJAE	
C=CC=CCCNc1ccccc1SC(C)C	1996563590	HBXAVTPIMUQTGQ-UHFFFAOYSA-N	247.407	4.731	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CCC[C@H](C)CC1	1997115720	IEBNMBAMYYMBPX-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H](N(C)CCC=C(C)C)CC1	1997209324	VVPBHXBVTIHTON-HOTGVXAUSA-N	237.431	4.633	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@H](C)[C@@H](C)CC	1998031957	JLNQZCKJDHHWCG-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@H]1CCC=CCCC1	2000002566	YYHVFVWOZMFFMT-HRCADAONSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1[C@H]2CCCC[C@H]21	2002150273	FEGXIMQTQOSQBM-AYDFFVQHSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC)CCCC(C)(C)C1	2002994980	YTQWBUZXXVWQPJ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)CCC2CCCC2)C1	2003012577	APVQYKFNATYONA-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CCC([C@H](N)CC(C)C)CC1	2003067299	QKLGDVVTXRLMIV-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
N[C@H]1CCCCCCC[C@@H]1CC1CCCCC1	2003118311	REEBMVWBURZMTR-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1CCCCC12CC2	2005594978	HODMWCZIRIYNKL-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)Nc1cnccc1C(C)C	2005892124	ZIFUOYDDCPRPID-CYBMUJFWSA-N	234.387	4.586	0	10	BJAE	
CC1=C(C)[C@](N)(CCCCCC(C)C)CCC1	2006966880	ZIMZLNDNHNGXPT-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1CC(CC)C1)NCC	2007749378	MPZURXANSIDEEM-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CC=C([C@](C)(N)CC(C)(C)C)CC1	2010740555	WACMVMSZNVVOMJ-XJKSGUPXSA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H](C)[C@](CC)(CNCC(C)C)C(C)C	2012417365	SJDKRTXEPACASX-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CC(C)(C)C1CC(O)(CCC2CCCCC2)C1	2014654725	GGKXWNYCWZTUTA-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CCCCC(C(C)C)C(C)C)NC	2015345993	YYMOJCFDTRWIJB-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCC1(C[C@@]2(O)CC(C)(C)CC[C@@H]2C)CCC1	2015591291	FJKUGPWYZUPEIH-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1CC1)CC1(CCC)CCC1	2015643040	XSDDQGBFDIZEFP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CN(CCC(C)C)CCC(C)C	2017463580	LEYAUFFWUMACMU-UHFFFAOYSA-N	239.447	4.737	0	10	BJAE	
CCC1([C@H](O)C[C@H]2CC[C@H](CC)CC2)CCC1	2017649628	XYSQFUVQXTYMHT-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@](O)(CC)C[C@H]1CC[C@H](CCC)CC1	2017650584	IRWNECJBXLSMSY-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@H]1CC[C@H](C)CC1	2017719877	DJPCGDRGIRUZHZ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CC1(C(C)(C)C)CCC1	2017800095	XXVSLRQFSNMXGI-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(F)c(F)c1	2018127409	FWXIKBQHAAYIET-NSHDSACASA-N	241.325	4.736	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC[C@H]1C1CCC1	2018130405	NXWGCMHSCNEJMW-JYJNAYRXSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@@]2(O)C[C@@H](C)CC(C)(C)C2)CC1	2018977152	YRJJNBHGOXHMFM-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)CCN(C)C[C@H]1CC[C@H](CC)CC1	2019476275	WUJXGPIPMBPRCQ-BZUAXINKSA-N	239.447	4.571	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H]1CCCC1(C)C	2020972112	QZFJNVZGWDRHBM-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CCCC(C)(F)F	2023306472	IXHGBKRHSQVKEQ-STQMWFEESA-N	249.389	4.746	0	10	BJAE	
Cc1cc(C)c2cc([C@H]3CCC3(C)C)[nH]c2c1	2024288080	XZSCEZULAVQJTA-CYBMUJFWSA-N	227.351	4.688	0	10	BJAE	
C/C=C/CCCc1cc(C(C)C)ccc1OC	2024429204	IMIVXHYLMDXNLW-AATRIKPKSA-N	232.367	4.717	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCC1(F)CCC1	2026169286	HRQSIKAHDVZIQW-KBPBESRZSA-N	244.394	4.626	0	10	BJAE	
Cc1cc2ccccc2n1CCC[C@H]1CC1(C)C	2027835145	ZGXNPWUAMOVQMH-HNNXBMFYSA-N	241.378	4.776	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1ccc(CC(C)C)cc1	2028252908	RTDLBQCVXFLEMM-SJORKVTESA-N	247.426	4.567	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)c1cccc(C2CC2)c1	2028551271	DMVLURSVQZNVFM-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)C12CCC(CC1)C2	2028625078	FYSXTNZGKNIZTR-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cccc(C)c1	2035422995	LYRVFEZAEWHRHW-UXLLHSPISA-N	245.410	4.614	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@@H]2CC23CCCC3)CC1	2036100287	JMTHFRYRCKXNDV-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1)C1CCCC1	2036664312	JOBXYLIUTDTUKW-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C1=CCCCCCC1	2037074543	RMYUEFUODRUZIV-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CCCC1CC(CN)([C@H]2CCC3(CCCC3)C2)C1	2037703190	NHTXNOBDVOMTEP-CKDBGZEDSA-N	249.442	4.502	0	10	BJAE	
CN[C@@H](CC[C@H]1C=CCCCC1)CC1CCCC1	2038111372	ABZIZMZAAULMRA-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](CC1CC1)NC1CC2(CCC(C)CC2)C1	2038934691	VTSQQBGGISWUPL-QZGAQFJYSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(C(=O)[C@@H]2CCC[C@@H](C)CC2)c1	2039372703	FPDBJSHXINJJJX-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCCC23CCC(CC2)C3)CC1	2039419084	BEZPUVJKLQUKPE-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C[C@@H]1CC=CCC1	2042739830	DLRPPFGHYSGTKT-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(N[C@@H](C)C2CC(C)(C)C2)cc1C	2043544922	UUXXBERLVVZGIQ-ZDUSSCGKSA-N	245.410	4.794	0	10	BJAE	
Cc1cccc([C@@H](O)[C@H]2CCCC(C)(C)C2)c1C	2045363386	AYXJIFPQMDAKHS-HOCLYGCPSA-N	246.394	4.553	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](NC)c1cc(C)c(C)cc1C	2045741144	OHKRFRHFZDQWCX-UXEPBGEESA-N	247.426	4.555	0	10	BJAE	
CCN[C@H](C[C@H]1CC12CC2)C1(C)CCCCCC1	2045799944	QJKSTCPFTNNNCO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](c1cocc1C)C1(CCC)CCC1	2045813122	NEGQZAJOKXFYIR-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)C[C@H]1CC12CCCCC2	2047016249	NRIUIFFJPXZVJH-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@]1(C2CCCCCC2)CCC12CCC2	2047942792	MTRGBMQVJQKMKI-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1NC[C@@]1(C)C=CCC1	2049982079	QGFDAFXOMHCCSY-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2CCC=CCCC2)C=CCCC1	2049992961	RXSHZKSQDZGNFV-RDJZCZTQSA-N	246.394	4.829	0	10	BJAE	
O=C(CCC1=CCCCC1)C1CC(CC2CC2)C1	2050219287	JNSIWRPDYFZAFR-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)C2(C)CCC2)c(C)c1	2052348874	MZVHNQLLSSBWFO-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
CC1(C(=O)[C@H]2[C@H]3CCCC[C@H]32)CCCCCCC1	2052503403	UMSHIRTXEPFXTM-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CCCNC[C@]1(CC2CC2)CCCCC12CCC2	2053358538	PRUWZTYFXQRLEX-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cnccc1C(C)C	2053854865	YDCQATUFDYEVLB-UONOGXRCSA-N	248.414	4.832	0	10	BJAE	
CC1=C[C@H](N[C@@H](C)C2CCC(C)(C)CC2)CCC1	2055547847	WMMYFPGFRBWFPI-GOEBONIOSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C2(C)CCC3(CC3)CC2)C1	2056556291	GYDULMWAIQLXJJ-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@]1(C)CC=CCC1	2056869654	CYBRZBIDEFVKOT-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC=CCCCC[C@@H](NCC)c1cccc(F)c1	2059248158	ZGDNUSGWFYAQON-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C1=CC[C@@H](C)CC1	2060922422	RMLKAWRTWGQDBY-DYVFJYSZSA-N	244.378	4.590	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2061116360	PMHSUQOEBWYMLI-BVUBDWEXSA-N	249.442	4.523	0	10	BJAE	
CC[C@](N)(C1=CC[C@H](C(C)C)CC1)[C@@H]1CC1(C)C	2061122366	ODTQOWOLEXBBEX-LXZKKBNFSA-N	249.442	4.523	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCCCCC12CC2	2062018033	QPIHGORCHZIHRQ-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H]2CCCCCC23CC3)C1	2062020386	ZQNLCONMTGGCKS-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)CCC2(CCCCC2)C1	2062650825	GSXZBSJNDKNMSW-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cc(C)c(O)cc1C	2065991289	VTUJGCJZHXARDT-CQSZACIVSA-N	249.398	4.636	0	10	BJAE	
C[C@H](C=C1CCN[C@H]1C(C)(C)C)C1CCCCC1	2067825731	CBPHTXDNLGFGIQ-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)C[C@@H]1CC12CCCCC2	2068268144	COULSKOTKPCQNU-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)CC1CCC2(CC1)CC2	2068271079	GGHRVYAJQTUCMR-GOEBONIOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2C[C@H]3CC[C@@H]3C2)C1	2068704993	SHIZQZOJMCJMEA-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CN(C)CC2CCC=CCC2)CCC1	2069332740	JXOGOAFUDOENHY-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC(C)(CC[C@H](N)C1(CC2CC2)CCC1)C1CC1	2069521193	IHGRZQBSBVNYGV-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)C1(CC2CCC2)CC1	2069566543	LBQATEVUFBCPHB-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1(CC2CCC2)CC1	2069570668	NEKBTTJQGVXFON-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@H]1CCCN1C[C@@H]1CCC=CCCC1	2071962894	PIGOALBQPJEOOQ-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CCC(C)(C)[C@](C)(O)c1ccccc1C1CCC1	2072767420	HWWCEPSJZMFORX-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)C[C@@H]3CCC[C@@H]3C2)CC1	2072805975	HMXGYTAUQQHAQR-KTBIRVAVSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@]12CCCC[C@@H]1C2)CC1CCCCC1	2074051056	NNCDTLOBFSXDNA-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
C[C@H](N(C)[C@@H]1C=CCCCCC1)C1(C)CCCC1	2074807950	BLMQXOCPGDCVDS-JKSUJKDBSA-N	249.442	4.776	0	10	BJAE	
CCc1ccc(N(C)[C@@H]2CCC[C@@H](CC)C2)cc1	2074892618	OOPNEPCNCLCCGV-NVXWUHKLSA-N	245.410	4.654	0	10	BJAE	
C=CC=CCCN(CC(C)C)C1CCCCCC1	2076549410	SUEMNPLNAMERKH-UHFFFAOYSA-N	249.442	4.800	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CC3CCC2CC3)c1	2077262830	YIBSUTCEZOPOFA-MKTAYPAQSA-N	241.378	4.555	0	10	BJAE	
CC(C)=C(C)CNC[C@H]1C[C@H]1C1CCCCCC1	2079465650	NAMAJZDBCWKUSC-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1N[C@H]1CCCC12CCCCC2	2079532748	VDHKRADHUZDNNA-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2C[C@H]2C2CCCCCC2)CC1	2079626525	ISEJKCDQSCCMGG-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CC1(NC[C@@H]2C[C@@H]2C2CCCCC2)CCCCC1	2079639300	HWGDCAGGICTNET-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H]1[C@H]2CCCC[C@H]21	2081779502	GORAUSMRIDRYKB-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
F[C@@H]1CCCC[C@H]1CC=Cc1ccccc1	2210661937	HLHBNKHEWQIERQ-LSDHHAIUSA-N	218.315	4.618	0	10	BJAE	
CCCC[C@](CC)(CCC)CNC1CCC1	2212576120	JFKFOKJVNYTPIY-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCC(CC)CCN[C@H]1C[C@H](CC(C)(C)C)C1	2213121723	OOCJSMWEBRICBJ-SHTZXODSSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)CCCCCCC1CC1	2213577502	CHWWBZFLUQCHDV-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)CCCCC1CC1	2214560094	IPIYCIYYKAZKSP-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(O)CCCCCC1(C)C	2215234772	YCNLDBHSLPZOLF-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CC[C@H]1C[C@H]1C)CNC(C)C	2215242667	DJYORCWDTVDBHG-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@](C)(CC)CNC(C)(C)C	2215252834	QQGWORZYOHXTKU-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](NC)C(CC)(CC)CC	2215256759	RXLAONGNXOIBFV-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)C1(C(C)(C)C)CCC1	2215344911	GHXHOAYVCBHGNL-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)C[C@@H](C)C(C)(C)C)CC1	2215815508	URUYTLIHBXSVSJ-FMKPAKJESA-N	238.415	4.556	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CCC(C)=C(C)C)CC1	2215816630	YIKKMOZMGWFCTO-HOTGVXAUSA-N	235.415	4.587	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@H]1CC=C(C)CC1	2215833585	KTFZDOLJRXZQQU-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@H](N)CCCCCCCC1CC1	2216860602	PQWRHQMPDGPHCT-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@H](C)C(=O)CCCCCCCC1CC1	2216893848	FSORYXXJZBDCLH-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@]1(CN[C@@H](C)CC)CC12CCC2	2217129697	LJNAFLFDOBWQSV-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CC1(CN[C@@H](C)CC)CC1	2217150315	MTDMESMJBOMZHQ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218379503	DWGNHYALGYYINY-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cc(NCCCC2CCCC2)ccn1	2220885317	LIMOCHRJUXFUIE-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CC1(C[C@](C)(N)[C@H]2CCC2(C)C)CC2(CCC2)C1	2221021804	AKQIUXNMYLOGMA-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CNC2[C@@H](C)CCC[C@@H]2C)CC1	2221642282	CZYWTFBLVQXKCP-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](CNC(C)(C)C)(C2CCCC2)CC1	2221662230	HCGCQCHPVXEIMW-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(CNC(C)C)cc1C1CCCCC1	2221803826	YZMYYQUJILYLJL-UHFFFAOYSA-N	245.410	4.541	0	10	BJAE	
CCCC[C@@H](CN[C@@H](C)CC)c1ccc(C)cc1	2223554155	YCSRFLALBCFTEA-RDJZCZTQSA-N	247.426	4.657	0	10	BJAE	
CCN[C@@H](C=C(C)C)c1ccc(C2CCC2)cc1	2223686986	HXEZNEROGZHUCF-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@@H]1CCC[C@H]1C)N2	2224128408	UMWQDDQKVVFTJG-IJEWVQPXSA-N	243.394	4.548	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)c1ccc2occc2c1	2224136802	XYJIKQVIHFIARF-AWEZNQCLSA-N	245.366	4.520	0	10	BJAE	
CCC[C@H](C)C(=O)CCCCC[C@@H]1C[C@H]1C	2243886626	WGJYCWLMAJEGTL-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1ccc(Cl)c(C)c1	2244786121	ZSQURRZPMRSVMR-FZMZJTMJSA-N	240.774	4.508	0	10	BJAE	
CC1CC(C)(C[C@]2(N)CCCC(C)(C)CC2)C1	2246526673	LPGUKZCUETWGRT-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)C2(C)CCCC2)C1	2246657640	UJSOOUCJAKGLRE-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1CCC1(C)C)NC	2247306817	KTGAPYNICJNDQD-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNC)C[C@H]1CCC1(C)C	2247431792	JFOZMUMUDQKHFP-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H](C)[C@H]2CC23CCC3)c1	2248283434	NRZPFFVBPYNGDX-VXGBXAGGSA-N	249.785	4.639	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCSc1ccc(N)cc1	2248840100	LPJCIZOCJQWWCO-STQMWFEESA-N	249.423	4.577	0	10	BJAE	
CCCC[C@](O)(CC)CCCCC[C@H]1C[C@H]1C	2248860153	ZKXQOMPAFQKOOP-OWCLPIDISA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1CC[C@H](C(C)C)CC1	2250386370	KUXFYSVTNOIDRF-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCCCC1=O	2250473362	IQNWANNTZYDBJW-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(N)C1CCC1	2250477464	XVIOHEOMWDCNMJ-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](F)CC(C)(C)N	2250481947	PZOIUXZDHIRYDK-KBPBESRZSA-N	245.426	4.695	0	10	BJAE	
CCN[C@H](c1ccc2ccsc2c1)[C@H](C)CC	2253061730	XPEYIKVGJDOOCC-ABAIWWIYSA-N	247.407	4.598	0	10	BJAE	
N[C@H](CCCC1CCC1)C[C@@H]1CCCCC12CC2	2253818571	SEXQZVWCMKCQHI-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@H](N)CCCCC[C@H]2C[C@H]2C)cc1	2254526989	CEPSNHCELSEVFI-HYVNUMGLSA-N	245.410	4.601	0	10	BJAE	
Cc1ccccc1[C@H](O)CCCCC[C@@H]1C[C@H]1C	2254532742	LWLHSZXRWPPFJQ-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	2254603947	FUXRQQUIXNLLRB-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(NCC[C@@H]2CCCC23CC3)c1	2255288197	OLMNFFVKMHUYIM-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
O[C@@H](C[C@@H]1CCCC12CC2)C1=CCCCCCC1	2255336159	DFLSIXWIZDVPMV-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CC1CC2(C1)CC(C[C@H](C)c1cccc(N)c1)C2	2259564683	AURRPHJMLJFMRH-UHKZTBIMSA-N	243.394	4.589	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2260507775	MRTQEQUDTSVGLT-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)C[C@@]23CCCC[C@H]2CC3)CC1	2260598838	CNEFLIIRSRKGCN-VIQHNZTISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C[C@H](N)C[C@]23CCCC[C@@H]2CC3)C1	2260615025	YZAANHDPPMVKJW-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(NC[C@@]23CCC[C@@H]2CC3)C1	2260632371	CVXFKAVCOSHHSI-MYBQVCMBSA-N	249.442	4.515	0	10	BJAE	
CN(CC1=CCCC1)[C@H]1CC(C)(C)CCC1(C)C	2261434066	GWPQGMFLVBVXRO-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@@H](C)CC1CCC1	2298854255	RBKFIWOSARVQDE-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CC[C@]1(CNC)CC[C@@H](CC)C1	2300675956	JVTLNIVNDRNFFN-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCC(C)=CCN(C)[C@H]1CCC[C@@H](CC)CC1	2300881411	SBOSPLVKKISLIK-CVEARBPZSA-N	237.431	4.633	0	10	BJAE	
CCNCC(CC)(CC)CC1CCCCCC1	2301188432	LBZKMKLNFXEECF-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](CC)CNCCCC1=CCCCC1	2302310046	SXMXSGXYRSMHQK-OAHLLOKOSA-N	237.431	4.683	0	10	BJAE	
C[C@@H]([C@@H](N)CCCC1=CCCCC1)C(C)(C)C	2302353413	FRGGVESTTZRYMP-ZFWWWQNUSA-N	237.431	4.667	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CCCC1=CCCCC1	2302361769	QYROSNIVZIQTKA-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@@H](CCCCC1CC1)NCC	2302570618	BBPMPAKGPDSBMX-WMHVBEDNSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)C[C@@H]1CCC(C)(C)C1	2302715125	CSOQGIYCQJEXHD-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCC(C)(C)C2)cc1	2304360489	LEWSSLAQNRZBGN-AWEZNQCLSA-N	231.383	4.623	0	10	BJAE	
CC(C)CC[C@](C)(N)CC[C@H]1CCC(C)(C)C1	2304434569	JYHYXGXPUCXQOL-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCC[C@H](CC)C1	2307750804	YYBMWYNBYLHIME-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@]1(C)C[C@@H]1C	2307910399	NRJGKYDKKNVITR-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@@H]1C[C@H]1C(C)(C)C	2311511796	IDCREYMVKUZSHP-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1C)[C@@]1(C)CC=CCC1	2312460466	GEURCFSHANWVOW-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@H](C)CC1CC1	2313698486	LSTFULFVEZNOMH-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(N)(CC1CC1)CC1CC1	2315440479	UEGSPNHWPBPGLS-JKSUJKDBSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CCNC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2316493251	XGWOQKVKHQROMT-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1ccc(F)cc1C	2316504715	XSADNHQVTAONKI-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@@H]1C[C@H]1C1CC1	2316509965	KTCDKOYMSBHFLW-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H]1CC[C@@H]2C[C@@H]2C1	2316511151	RAUOOCAYOLBCOR-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@@H](N)C1C[C@H]2C[C@@H]2C1)CCCC(C)C	2316562357	IVIAIVGWGJLMQH-BFYDXBDKSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)C[C@H]2C=C[C@H]1CCC2	2316659706	WDSNNPOIVKJRCX-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CC1CCC(N(C)CCCC2=CCCCC2)CC1	2318570855	YRWNAMCNHUAWKE-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
Cc1coc(C)c1[C@H](N)CCCC1=CCCCC1	2318594601	HKQRIZYCFYZEHT-OAHLLOKOSA-N	247.382	4.567	0	10	BJAE	
CC(C)NCC1(C[C@@H]2CCC(C)(C)C2)CC=CC1	2319288161	FKCINVJPAJQVGB-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2C=CCCCCC2)CC1	2320232130	QKBZSCYROHKPMY-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(CC(C)C)CCCN2)CC1	2320348067	NBJHPGZNNYMBGX-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@](N)(CC1CC1)C1CC1	2320629668	WEIBJPOIQKESEZ-UNEWFSDZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CCC(C)(C)C2)c(C)c1	2321633039	IYTFHZTUFBTDSY-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1	2321638079	YCRGSAPSUHDNGH-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](c1cc(C)ccc1C(C)C)C1(C)CCC1	2327680228	JAVRIMHCXLBJQQ-MRXNPFEDSA-N	245.410	4.569	0	10	BJAE	
CC[C@@](O)(CC1CC1)c1cc(C)ccc1C(C)C	2327692209	LZLJXOOZLRJNNP-QGZVFWFLSA-N	246.394	4.516	0	10	BJAE	
CCC[C@@H](CC)CC(=O)Cc1cc(C)ccc1C	2328268824	KMXGDANLOMPDFH-OAHLLOKOSA-N	246.394	4.631	0	10	BJAE	
CC[C@@H](C)c1ccc(NCCC(C)C)cc1	35023397	HYOULSPAATXXRI-CYBMUJFWSA-N	219.372	4.658	0	10	BJAE	
CC[C@@H](Nc1ccc(C(C)C)cc1)c1ccco1	54082716	NQRPPYPXCIZFFW-OAHLLOKOSA-N	243.350	4.966	0	10	BJAE	
Fc1ccccc1/C=C/c1ccc(Cl)s1	71777439	SSAGSRIQDOMFCK-AATRIKPKSA-N	238.714	4.711	0	10	BJAE	
C[C@H]1CCC[C@@H]1Nc1ccc(Cl)cc1Cl	83389611	LMJHGICVVLMYJZ-KWQFWETISA-N	244.165	4.594	0	10	BJAE	
CCCC[C@H](CC)Nc1cc(C)cc(F)c1	85729786	NATATSUNBVLJQI-ZDUSSCGKSA-N	223.335	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Sc1cc(N)ccc1C	91942508	QBXPXMHLVSHOSE-OCCSQVGLSA-N	249.423	4.638	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](NCCC)C1CC1	103949325	DQQLTZDMEABSCK-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C/C=C\C[C@@H](C)c1ccc(C(C)C)cc1	107635357	VYMSLROOPDSOKH-CFHLNLSMSA-N	202.341	4.880	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1CCC[C@H](C)C1	109736065	QCRCNGAVRLNSCY-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C2CCCCCC2)cc1	109790677	GGGNKEDORCXSRM-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CCC[C@H](CC)N[C@H](CC)c1ccc(CC)cc1	109944539	HTBZQHKNSPOIAZ-DLBZAZTESA-N	247.426	4.868	0	10	BJAE	
CCCC[C@@H](C)NCc1cccc2ccccc12	109946793	PELPHJPIAHPQAR-CQSZACIVSA-N	241.378	4.508	0	10	BJAE	
CCCCCCn1ccc2ccc(Cl)cc21	128893826	PSLQXOSRLSUGEN-UHFFFAOYSA-N	235.758	4.875	0	10	BJAE	
CCNC[C@H](CCCC(C)(C)C)c1ccccc1	155720065	QISVCDOJOORKMR-INIZCTEOSA-N	247.426	4.596	0	10	BJAE	
Cc1cccc(N[C@H]2CCC(C)(C)C[C@@H]2C)c1C	155831862	ZMPAIKUBFUIZPI-ZFWWWQNUSA-N	245.410	4.930	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C[C@@H](C)CC	162473385	NEQPCVNHMWTSRH-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2c(C)oc(C)c2C)C1	166315661	MYGXCQZOZDHKHW-KGLIPLIRSA-N	248.366	4.604	0	10	BJAE	
CC(C)CC1([C@@H](N)C2CCCCC2)CCCC1	167057585	GKOBURYOFPZJLM-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CC2CCCCC2)cc1C	168640925	ZZFPZISTZAGRTR-KRWDZBQOSA-N	245.410	4.582	0	10	BJAE	
CSc1cccc(N[C@H]2CC[C@@H](C)C[C@@H]2C)c1	221607100	KYZIYKXJLCWTND-XUJVJEKNSA-N	249.423	4.645	0	10	BJAE	
C[C@H](C(=O)C[C@@H](C)C(C)(C)C)C1CCCCC1	225691135	YLDYKUISLWEBNB-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](O)c2cc(C)ccc2C)C1	226983792	IXIRJNRFGGUPDP-ZMSDIMECSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)c2ccc(C)c(C)c2)C1	226984080	IDMDVOYUMUOARC-HLLBOEOZSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CCC([C@@H]2CNc3ccc(F)cc32)CC1	232830856	BLQVIOPLMUEXIS-AWEZNQCLSA-N	247.357	4.551	0	10	BJAE	
Cc1cc(C(=O)C2(C)CCCCC2)c(C)s1	235835826	BXRPMCHTCYMBNG-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
O=C(C1CCCCC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	253197445	UWBLOYXSBDXDFT-CWRNSKLLSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(Cl)cc1NC(C(C)C)C(C)C	304610783	WOWWTOIOSZMLBX-UHFFFAOYSA-N	239.790	4.741	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](O)CCC2CCCCC2)C1	305898938	YFQPVLCXGVUSRT-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cc2cc(C)ccc2o1	305986413	IPISVQWVLDMKRP-MLGOLLRUSA-N	245.366	4.567	0	10	BJAE	
Cc1csc2c(C(F)F)cc(Cl)cc12	306799566	GLRPLFUSAOMIEC-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCc1cc2cc(Cl)cc(SC)c2s1	306935019	HSOAAJTXPJRLRQ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC(C)c1cc2cc(Cl)ccc2s1	307272224	DJNMXXNVSJZORV-UHFFFAOYSA-N	210.729	4.678	0	10	BJAE	
C[C@@H]1C[C@H](C2CCCCC2)Nc2ccccc21	310214100	VORZUOYFKMNOMC-MLGOLLRUSA-N	229.367	4.555	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)C(C)(C)C(C)(C)C)C1	310521607	WXDDCWZAUXJTGK-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)C(CC)CC	310965217	QJWQFUFVLRGFIQ-KRWDZBQOSA-N	247.426	4.897	0	10	BJAE	
CC[C@@H]1CCC[C@](CCCC(C)C)(CNC)C1	317253554	UMWSRQQJKLSWRY-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](C[C@@H](N)CC1(C)CCCC1)CC(C)(C)C	380069636	ZTBYQXDGDQWKSA-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCNCC/C=C(/C)C[C@@H](C)C1CCCCC1	382416377	MIDRIDINGLLZEP-KQGZCTBQSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)CC(C)(C)C	384553948	GQSWCJBQVHLUOO-UONOGXRCSA-N	227.436	4.760	0	10	BJAE	
CCCOc1ccccc1N[C@@H](C)CC(C)(C)C	384742779	LOSYGRCQKXKLBU-ZDUSSCGKSA-N	249.398	4.712	0	10	BJAE	
CC1CCC(C(=O)CCC2=CCCCC2)CC1	384871920	RGUZMSWJOKGNLG-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
Cc1cscc1[C@H](O)CCCCCC(C)C	394760480	LTLHETXRGFPUKK-CQSZACIVSA-N	240.412	4.696	0	10	BJAE	
C[C@H](C[C@](C)(O)CC(C)(C)C)C1CCCCC1	395010077	TWXNYZIBAXUHHG-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(Cl)cc1	395198458	ULWUIPQGPWAZMR-UHFFFAOYSA-N	239.790	4.968	0	10	BJAE	
CCc1c(C(F)F)ccc2sc(F)cc12	396202433	SRPXEXBJUWOZRD-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC[C@]1(C)C[C@H]1N[C@H](CC(C)C)c1ccccc1	397316001	QYSGRBLBECFOAV-BRWVUGGUSA-N	245.410	4.552	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@@H](C)C(C)(C)C	399314711	NMNCUFSOYUUDJJ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@](CNC(C)(C)C)(CC2=CCCC2)C1	401070659	IKEHNKLZBNUGFN-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC1CCC1)CC1=CCCCC1	688418704	UEYKWORSIDAREU-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCCC[C@H](C[C@@H](C)CC(F)F)NCCC	688798702	JTDMYQMXZLROHJ-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H](C)CC1CCCC1	689793789	USHRWZXPAKSRSO-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CN[C@H](CC(C)C)[C@H](C)c1ccc(C(C)C)cc1	695054885	QNPSSWULCSSVLU-RHSMWYFYSA-N	247.426	4.548	0	10	BJAE	
CC(C)=CCCc1cccc(OC2CCC2)c1	698004313	RTHMPDMJKVTRRP-UHFFFAOYSA-N	230.351	4.517	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCCC)C(C)(C)CC	701185741	SVPLDRYZXFXFGN-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(-c2cccc(C(C)C)c2)ccc1C=O	701499707	GLZQFNPNEFWOHK-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@H]1CCCC[C@H]1C	704852171	RQDHEFFYVIBSAO-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCCCC[C@@H]1CC	704953777	VYUHWXKYECQQDK-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C)[C@H](C)Oc1cccc2sccc12	705011527	VBIQWBUNNOAVIQ-MNOVXSKESA-N	234.364	4.715	0	10	BJAE	
CCN[C@H](CC[C@H](C)CC(C)(C)C)CC(C)C	709110337	YNOABPQERFPPCQ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1CC12CCCCC2	709727259	RLERKECEYAVYBX-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@H]1CCCC2(CC2)C1	710238385	DAAHEMZOANRZCV-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C23CCC(CC2)CC3)C1	710323075	DENPJFVJWHNJIO-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
Cc1cc(NCc2cccc(C3CC3)c2)cs1	710705342	JCMDTMRWNGHFRD-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
Cc1cc(NCC2(C)CCCCCC2)cs1	710729283	PCMWCPAWQAGBQK-UHFFFAOYSA-N	237.412	4.829	0	10	BJAE	
CCCN[C@H](C[C@H](CC)C(C)(C)C)C(C)(C)C	711183079	APTJYEBHDSCSJZ-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C[C@H](N)[C@@H]1CCCC[C@@H]1C)C(C)(C)C	711193723	SZDJUHACFGYTHP-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@H](N)C1CCCCCCC1	713185057	QJPZJOPEXMIURO-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1ccccc1Cl	718695778	XJOBAXWFSZTPCA-AWEZNQCLSA-N	238.758	4.510	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cscc1C(F)F	720225451	SZCMPRVEYPIBDN-JTQLQIEISA-N	247.354	4.512	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)c1cccc(C)c1	720348674	HEAOJCJHQDHTQC-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
C=C/C=C/CCN(CCC)c1ccc(Cl)cc1	1191852628	BJPUILBCCXCYFT-AATRIKPKSA-N	249.785	4.689	0	10	BJAE	
CCCC[C@@H](CC)NCC1(C)CCCCCC1	1659253844	CBKYYOSNGFVMGN-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
Cc1cc(CNc2ccc(C(C)C)cc2)c(C)o1	1661015091	HKDSMZWUGPCKHY-UHFFFAOYSA-N	243.350	4.632	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC=C(C)CC	1900878157	MNRWYVYKWMJMTP-LSDHHAIUSA-N	226.404	4.700	0	10	BJAE	
CCCC[C@H](CC)CC1(O)CC2(CCCC2)C1	1912691392	RPYWRUHBERWHJU-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(OCc2cccc(Cl)c2C)cc1	1913050921	AXIFQAKRKUWLMN-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCCCCC[C@@](C)(O)C1CCCCCC1	1919963491	YSWAWANJJZAVIY-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCCCCC[C@](C)(O)c1cc2ccccc2o1	1919976494	RJPUAFIJWHAOQT-INIZCTEOSA-N	246.350	4.611	0	10	BJAE	
CCCC1CC(CN[C@@H](C)CCC(C)(C)C)C1	1921224301	BTTIZTWZDRNENN-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H](C)C1CCCCC1	1924148977	PRLXNOXMGABMLN-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1C=CCCCC1	1925764892	GXKPNPJAVAHFAL-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@@H]1C=CCCCC1	1925916752	IHKKJEVXNIVHOP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC[C@H](C)C(C)(C)C)NCC	1939109771	BUFPPOFVYGASBL-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(CC)NC1CCC(C(C)(C)C)CC1	1940180700	JVQSWUALQNNMKY-UHFFFAOYSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CC1(C)CCCCC1	1940404974	DIQZVZPXWXOWQC-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)CCCC1(C)CC1	1940882565	QPUXADITCWZHLE-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1NCCCC1(C)CC1	1940882962	MCVAGQMOFGFZJK-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
C[C@@H](CCCCCC1CC1)C1CCC(N)CC1	1941598388	XHEQJNLJODRTLI-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@H]2CCC[C@@H]21	1941707393	GRZXUNAXEPQTOF-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CCCC[C@@H]1C(C)C	1942655360	IITDIWLCSYJAIL-ARFHVFGLSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](O)(CCC(C)C)C1CC1	1942657864	GLKVIYWUOPCFEI-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCC[C@H]1C)CC(C)C	1944842134	HPTXXAXNZCASBK-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CCCCCC(C)C	1947463263	OTRUNIUKTLRPDD-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](CC[C@H]1C=CCCC1)CC(C)C	1947594332	XDJSCMZHRFJVCG-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1947857328	RLWBTVUKUFTZOE-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCC1(C[C@@]2(N)CCC(C)(C)C[C@@H]2C)CCC1	1948981345	QBPOENPBHALMPE-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H]([C@H]2CCCCCCCC[C@@H]2O)C1	1949400214	UCRLIXZZEHXSOU-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H]1CCC(=O)CC1CCCCC1	1949916410	KSGDLYUUCNSMJS-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1968352283	VBIOGHNAONTPKB-VIKVFOODSA-N	245.410	4.788	0	10	BJAE	
CCC(C)(C)CN(C)Cc1ccc(C(C)C)cc1	1968376495	ANNCXOYMXXSVQQ-UHFFFAOYSA-N	247.426	4.678	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](C)CCCC(C)C	1969918880	RVYDWOCFIBYSEK-SOUVJXGZSA-N	227.436	4.616	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1NC1CC2(CCCCC2)C1	1972430525	STZYAGDMNWXYBN-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)CNC1CCC(C(C)C)CC1	1973172840	SCKHQGQOTKCRDR-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1CCC(NC2(C3CC3)CCC2)CC1	1973212505	CFBWKDYOBAKJBC-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC(C)(CC)CC)c1cccs1	1980692804	QLDAOTZWRZICPH-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
CCCCCC[C@@H](C[C@@H](C)C(C)C)NCC	1988225959	GVXDXZUMZKJYBR-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@](N)(CC)CC[C@H]1CC1(C)C	1990090392	BCHMIXQIRBFBTP-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC/C=C/CN[C@H]1CCC[C@@H](CC(C)C)C1	1995875632	VCWULGLCSMLVOR-MIVXPEEVSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](C)C1(C)CCCCC1	1995991004	MCEZRYZPVPSNOC-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
C[C@H]1CC[C@@H](Cn2ccc3cc(Cl)ccc32)C1	1996230271	HMJRSUAQERRISU-NWDGAFQWSA-N	247.769	4.731	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC[C@H](C)C1)C(C)(C)C	1996258993	CVHZLBWNZCDYNF-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@@H]1CC[C@H](C)C1	1996265451	ABAPRIUEZZPUAF-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCNc1ccccc1SC1CC1	1996537576	LWQUEYOTLZPKCM-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CC[C@](N)(CCC1CC1)C1CCC(C)(C)CC1	1996594195	KEJRFDGWEFUJSM-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCCCN[C@@H](CC)C1CCC(C)(C)CC1	1996595349	VEUOUDUKQAESQS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)C2(C)CCCCC2)C1	1997013052	AEZXWKDKJRRMJT-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@@H]1CC=CCC1	1997545910	HILYZSBZVAGGHM-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCC(C)=C(C)C	2000193993	VMDLFFVRYHTGTM-CABCVRRESA-N	236.399	4.908	0	10	BJAE	
CN[C@@H](CCCC(C)C)C1(C)CCCCCC1	2000319993	KRPGZUAJVISTKQ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@@H]1CC=CCC1	2000504649	KBVXDAFOFABAHN-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](CC)(CNC)C1CCC(C)CC1	2000505470	RLCCMPXZWAHLRB-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@](C)(CNCC)[C@@H]1CCCC(C)(C)C1	2000514829	OFRNLVPDXXRQCI-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC([C@H](C)NCC=C(C)C)CC1	2002925292	PQPYCZZVDGMGNQ-FHERZECASA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2CCCCCCCC2=O)C1	2003070281	KOUZPNIHWMPEDZ-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CCC)CC1CCC2(CC1)CC2	2003216282	BGTMSIUEZMVEDC-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@@]1(C)C=CCCC1	2003326059	ZJUHUICXDQVJPL-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@H](C)CCC(C)C	2003657879	YHUVEEKFKAZGAB-ZDUSSCGKSA-N	232.367	4.640	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@H](N)C2(C)CCCCCCC2)C1	2004921937	BNQYYCGYTDYNNN-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)c1csc([C@@H]2CCCCC23CC3)n1	2005568405	YROHOLLPLDRXSM-NSHDSACASA-N	249.423	4.878	0	10	BJAE	
CCC1CC(CNCCCCCCC(C)C)C1	2007805316	AIFPBDSLRSQARD-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CCC2CCCCC2)CC1	2009411960	UMXXFUJITHBXRI-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
C=C=CCC[C@@H](C[C@@H](C)CC(C)(C)C)NCC	2010977284	PUCSJTYWKFAMHS-CABCVRRESA-N	237.431	4.548	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@@H]1CC[C@H](C)C1	2011958014	FXVKCSNSQDZDNE-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC12CCC(CC1)C2	2012810833	UFLFZSXBPDOVIV-PWUWZPNHSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC1([C@@H](O)CCC2CCCCC2)CC1	2015748993	KHDATQILVWLMHQ-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)C[C@@H](C)C1CCCCC1	2016102748	HWMQDZXKQMGHSH-KBMXLJTQSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C(C)(C)CCF)C(C)(CC)CC	2016766486	SIQPNHJXXUWAKX-CYBMUJFWSA-N	245.426	4.567	0	10	BJAE	
CCNC[C@]1(CC(C)=C(C)C)CC[C@@H](CC)C1	2017466955	RCROCNPUAONVMO-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)C[C@H]1CC[C@H](C)CC1	2017721782	LMCPCEKZDROSKH-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CC1CCC(CC)CC1)NC	2017722676	QURWLIPALPCDJS-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(C[C@](N)(CC)C2CC2)CC1	2017729395	WJDRIWWMRNATMP-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(N)CCC2CC2)CC1	2017731336	QHHBINWMIQATMJ-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)NC1[C@@H]2CCCCC[C@@H]12	2018131112	MJZLYOVAEXYLNW-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@](O)(CC)[C@H]1CCCC(F)(F)C1	2018134963	UJTUATHTOUXPCG-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCCC1(COc2ccc(C(C)C)cc2)CC1	2018915384	FWUNGMABMHRDHO-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
CCCN[C@H](CC1CCC1)CC1(CCC)CC1	2018993019	YVIKFBRTRKGDJV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](CC(CC)CC)NCC)CC1	2019000497	QUUGEKOLPFCRQY-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@H]1CCCC[C@H]1CC	2019199781	MDMOMBIJICJSNN-PMPSAXMXSA-N	239.447	4.856	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@@H](C)CC(C)C)CC1	2019298024	RMWUOXPFFCYPGD-ARFHVFGLSA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@H]1CCC[C@@H](CC)CC1	2020969602	PYLXJMVAFURSNP-KBMXLJTQSA-N	237.431	4.537	0	10	BJAE	
CCCCCCC(=O)C[C@H]1C[C@@H]1C1CCCC1	2022558598	XVNUQEFYHYHUNS-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](C)c1cccs1	2023444896	AREYDXYKHRBAAK-JTQLQIEISA-N	249.354	4.623	0	10	BJAE	
CCCC[C@](C)(CN)C[C@@H]1CCCC(C)(C)C1	2024091786	LNXIWRLDHQFPFU-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
CC1(C)CC[C@@H](O)[C@H](CC2(C)CCCCC2)C1	2024146161	INMKNTCMOYLTSN-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CCCF)NCCC	2026083348	ZVITWGPQZBSTIJ-HUUCEWRRSA-N	245.426	4.711	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NC)C1CCCCC1	2026165098	YSDAQTFSBQQMSB-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)CC(C)(C)C(C)C	2027518987	YADXNWBYZLFGMR-INIZCTEOSA-N	248.410	4.916	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@@H]1CCCC12CCCC2	2027805742	UUIHIMWKWNXMKG-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@@]12CCCC[C@@H]1C2	2027841582	ANGPSJXCAHPUAN-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(F)c2ccc(N)cc2)C1	2027935510	HNLMKNRJVQEDQP-XPKDYRNWSA-N	249.373	4.670	0	10	BJAE	
C[C@@](F)(C1=CCCCCCC1)c1ccc(N)cc1	2027935530	HREAWKBMTYSQNJ-MRXNPFEDSA-N	247.357	4.734	0	10	BJAE	
N[C@H](CCC1CCCC1)c1cccc(C2CC2)c1	2028553423	ZEVLDKFPYBJAAW-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CCCCCC[C@@H](NC)c1ccccc1C1CC1	2028559270	FDZBEBFGHLHMQF-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CC1(C)CC(C[C@H](N)[C@]23CCCC[C@@H]2CCC3)C1	2031758967	MIUSFJDGUJJYKC-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(C[C@@H]2CC=CCC2)CCCC1(C)C	2032107298	WDVYIWSMHFKLFN-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C1CCC(C2(NCCCC3CCC3)CCC2)CC1	2033058129	CEECGVZBRMNKGA-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC1(C)C)C[C@@H]1C=CCCC1	2035601457	SJTLGJHMKWMOEY-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@@H]1CCC12CCC2	2037396494	ICMMIKJVPNFQDP-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C[C@@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037972394	MRXQASUISNAYOM-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](Nc1c(C)cccc1F)C1CCCCC1	2040684708	VGDCUNNMAAGGNO-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CC(C)C1(CN[C@@H](C)CC2=CCCCC2)CCC1	2043189484	BHGAJSPARPWYSF-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H](N[C@@H]2CCC3(CCC3)C2)CC(C)(C)C1	2043607937	XNTGPTSQQKAUIJ-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C[C@H]1CCC=CCCC1)[C@H]1CC1(C)C	2045322063	BBMOIMZFQPYBAX-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCC=CCCC1	2045332486	PFDRBYUVJDJJIL-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C(=O)c1ccccc1)[C@H]1CCCC(C)(C)C1	2045454409	ISOYGOPYFDFWNI-HIFRSBDPSA-N	244.378	4.722	0	10	BJAE	
C[C@H](CC1(N)CCC2(CCCCC2)CC1)C1CC1	2045658815	WSTFSQHSHQGKSU-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CNC[C@@]1(C[C@@H]2CC=CCC2)CCCC(C)(C)C1	2049513225	ZIIJOTPLLAZHSI-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)[C@@H]1CCC[C@H](C)C1	2049540075	KYKVSEHBOXEDQC-IACUBPJLSA-N	249.373	4.761	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)[C@]2(C)C=CCC2)cc1	2050003554	QDZQVRXTKNSPMA-QGZVFWFLSA-N	242.362	4.523	0	10	BJAE	
CC[C@H]1CCC[C@H](CC(=O)c2ccccc2C)C1	2050451133	SMZORDGQAIFNGU-GJZGRUSLSA-N	244.378	4.784	0	10	BJAE	
C1CC(CCCN2CCCC[C@H]2C2CCCC2)C1	2051672460	UDBLXNUIKLAMQG-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC=C[C@@H]1N[C@@H]1CCCCCC1(C)C	2055529825	YOSYDXSWYHGUST-CABCVRRESA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C[C@@H]2C=CCCCC2)[C@H]1C	2055615384	LNMCYXYVUFYAQE-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@H]1CCCC1(C)C	2056878865	NYAZIODEPLIRBA-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC=C([C@]2(N)CCCC[C@H]2C(C)(C)C)CC1	2060914653	UEQSRVVZOAFSOK-UKPHBRMFSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC=C([C@H](N)[C@H]2CCCC(C)(C)CC2)CC1	2060930145	QIVQCFUJNRXLPJ-IJEWVQPXSA-N	249.442	4.667	0	10	BJAE	
CC[C@](N)(C1=CC[C@H](C(C)(C)C)CC1)[C@@H]1C[C@H]1C	2061115758	KDHLVZXFSAEIEB-CXUGXGMPSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)C2(C)C(C)(C)C2(C)C)CC1	2061137936	QPLBSWJKHQDVEZ-OCCSQVGLSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)CC[C@@]12CCC[C@@H]1C2	2061570426	CPGKBADTRZPZFI-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(NCC[C@]23CCC[C@H]2C3)cc1	2061571925	NNHIGPLSKCUOBS-RDJZCZTQSA-N	243.394	4.631	0	10	BJAE	
CN[C@H](CCCC(C)C)CC1CC(=C2CCC2)C1	2061740225	WHNRDOPEEBAWDB-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC=CCCCN[C@@H](CC)c1ccc(CC)cc1	2062372082	NAYPIJQPQZIFAZ-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CC(C)C1(C(=O)CC2C[C@H]3CCC[C@@H]3C2)CCC1	2063419623	OHHQFBZQWDAAIN-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H](N)CC23CCC(CC2)CC3)CCCC1	2065303458	RKFNDULVZPBUEC-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)CC12CCC(CC1)CC2	2065304688	CKTIZSHKFPZXJU-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(CC23CCC(CC2)C3)C1	2065335720	SCGWFQVNEJRQDJ-LYSZQXJVSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(N[C@H]2CC23CCCCC3)C1	2067965494	CAYYALUPAOMXJC-NRXISQOPSA-N	249.442	4.514	0	10	BJAE	
O=C(CCC1C[C@@H]2CC[C@H]2C1)CC1CCCCC1	2068697341	AWVZYCUFKJPNLH-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)C[C@H]1CC12CCC2	2069196197	GEQOOJBIHNQZIG-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CCC2CC1C2	2069264617	CXXKJQIWWYGTBC-BHUNQDJPSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1CCC2CC1C2	2069346302	CEZLMVFHQRGDFG-PIMMBPRGSA-N	243.394	4.585	0	10	BJAE	
CC1CCC(C[C@@H](N)C2(CC3CC3)CCC2)CC1	2069514791	LPLONAUGYCLYSK-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC1CCC1)C1(CC2CCC2)CC1	2069563373	FTIWGPMFMXQCQI-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)CCC3(CCC3)C2)CCC1	2071942556	FSMAOCYHYGPOLO-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1(CC[C@@H](N)c2ccccc2)CCC1	2071947058	WVWMLEFLQPQGKR-OAHLLOKOSA-N	245.410	4.683	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C[C@H]1CC[C@H](C)CC1	2072669586	OYFJVGORPUDWQE-DAXOMENPSA-N	246.394	4.553	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@@]2(C)C=CCC2)CC1	2072795013	ZUPSJMJLRJUUML-BACDZXNISA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)[C@H]2CCCC3(CC3)C2)C1	2073776770	RNJGBDFWHIXRAV-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CCNC2(CCCC2)C1	2074138484	KHMRBFGTWPHSEV-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@](O)(c2ccccc2)C(C)C)CC1	2074611726	MCXZMXHLVUEVEK-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
C1=C[C@H](N2CCCC[C@H]2C2CCCC2)CCCC1	2075411102	PUBWYYPCPGKVQB-IRXDYDNUSA-N	247.426	4.530	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079487139	QFWZHMUZSYFXEH-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC(C)=C[C@](C)(N)C[C@H]1C[C@@H]1C1CCCCCC1	2079820366	QNLJRICZEIOEJR-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)c1cc(C)c(C)cc1C	2079844752	WALDFMIIGLYEPZ-HUUCEWRRSA-N	244.378	4.621	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)c1ccccc1CC	2081210550	YWNJLBXDLFPNAL-RHSMWYFYSA-N	247.426	4.521	0	10	BJAE	
CCCN[C@H](CC)CCC1C2(CCC2)C12CCC2	2083571531	PZHSCEWCUCELEP-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC1C[C@@H]2CC[C@H](C1)N2CC1(C)CCCCC1	2084427793	VFUGIXIHWLOKRG-MQVJKMGUSA-N	249.442	4.610	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1cc(C)cc(C)c1	2086044186	LQNLLXLKBKSVGV-GUYCJALGSA-N	248.410	4.943	0	10	BJAE	
C[C@H]1CCC[C@@H](CC=Cc2ccccc2)C1	2210661547	AQRAQJNWWMQUEG-HOCLYGCPSA-N	214.352	4.916	0	10	BJAE	
CCC[C@@H](CCCC(C)C)CN[C@@H](C)CC	2212586929	DWODVEICPRFUHZ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCN[C@H]1C[C@H](CC(C)(C)C)C1	2213121331	JEFLPRWPHDXSNG-SHTZXODSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC[C@@H]1C[C@@H]1CC	2215248617	ICKFEQWPIAKLAM-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CCCNCc1sc(C)cc1C1=CCCCC1	2215908750	HTTAOMROFRYXDW-UHFFFAOYSA-N	249.423	4.514	0	10	BJAE	
CCC1(CN2CCCC23CCC(C)(C)CC3)CC1	2218015715	ANHHLELKEDABLX-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C(CCCCCC1CC1)=C1CCC2(CCC2)NC1	2218730120	GUWHNPZCQLKWFT-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)C/C=C/c1ccccc1	2219067490	XAULXIMMGORCGU-VESHTZQJSA-N	246.394	4.523	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(CNC(C)C)CC=CCC1	2220850939	JKEGVMCADSDFIX-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)CCC[C@H]2CCCC[C@H]21	2220873013	FFZHPKDAOSDFKF-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1CC(CC)C1)[C@@]1(C)CC=C(C)CC1	2221628847	DJPNEZSKKKUIIZ-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@H](CN[C@@H]2CC(C)(C)CC[C@@H]2C)CC1	2221667507	UVCSZIBVWFFUEU-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1c(C)cccc1C	2221923007	MSFZJZQXQOLOPO-HNNXBMFYSA-N	246.394	4.949	0	10	BJAE	
CN(CC=C1CCC1)[C@H]1CCC[C@H](C(C)(C)C)C1	2222268752	QYYRHIQJFDDWJN-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
O=C(CCCCCCCCC1CC1)c1ccco1	2223131385	XYMHSFYYSDJVBX-UHFFFAOYSA-N	248.366	4.993	0	10	BJAE	
C[C@]1(C(=O)c2cc3sccc3s2)C=CCC1	2246031525	YFZJBPXYJOXGHU-ZDUSSCGKSA-N	248.372	4.502	0	10	BJAE	
CC(C)C(N)(CC[C@H]1CCC[C@@H](C)C1)C(C)C	2246723553	AHDFYJCJHQNKSP-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)CCCC2(C)C)C1	2246730596	FQDQSTIMIUQRFL-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CC1=CCCCC1)NC	2247531916	PYSVGIYYBBZARJ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1CCC(C)(C)CC1	2250367840	QVJMKSREDVNYGJ-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CCC[C@H](C)CCCC(C)C	2250472077	BUXKDWFFWBJUCB-OAGGEKHMSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)[C@@H](C)C(=O)O	2250495613	JWYMBZKESPQVAL-BFHYXJOUSA-N	242.403	4.586	0	10	BJAE	
CCC1(C[C@@]2(N)CC(C)(C)CCC2(C)C)CC1	2251665521	LMDWAKUFEYYXEQ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CCC(C)(C)C1=O	2251708324	QLNAWZMJXQLZRR-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C)(C(=O)C2CC3(CC(C)C3)C2)CC1	2254472707	KOLMNGFGNVNHMB-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H]1CCC1(C)C	2254969431	UKOFAUDLQLSRDE-AWEZNQCLSA-N	244.378	4.648	0	10	BJAE	
O[C@H](CC[C@@H]1CCCC12CC2)CC1=CCCCC1	2255277006	WZVRNQUXYJNENV-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCCC12CC2)C1(C)CC1	2255293044	ZQFYRYDVMNQBNG-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@H](CNCCCCC[C@H]2C[C@H]2C)CC1	2257311204	LHOWLEPZLFPRGQ-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C1CC[C@H](CC[C@@H]2CCCCC23CC3)CCNC1	2259672882	MJNANSNMQLHLEU-CVEARBPZSA-N	249.442	4.517	0	10	BJAE	
CC1(C)C[C@@](C)(CC[C@]23CCCC[C@@H]2CC3)CN1	2260586749	JFXSVVYOVCPJHQ-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)C[C@]12CCCC[C@@H]1CC2	2260605362	OSRCBZWLUYKXIA-RKTXRCNFSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@@]23CCC[C@H]2CC3)C1	2260657869	LFXPKGDWSYDYKO-QEWYBTABSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@](C)(N)C2CC=CC2)C1	2261261677	DFDLKOBHFGJAAA-MQBCKMQZSA-N	249.442	4.523	0	10	BJAE	
CCC(C)=CCOc1ccc([C@H](C)CC)cc1	2300868149	VGETVGPBCUEFIQ-CQSZACIVSA-N	232.367	4.935	0	10	BJAE	
CC1([C@@](C)(O)CC2CCCCCC2)CCCC1	2301135314	IWKMIKYBYRALDX-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)(CCF)C(=O)CCCC1=CCCCC1	2302343666	YSJUNSBNUCOLHS-UHFFFAOYSA-N	240.362	4.612	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCC[C@@H]2C[C@@H]21	2302851086	ZIKDFHRKJGFCPH-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@@H]1CC[C@H]1C(C)(C)C	2303445655	SGQLQSMYRKHNQM-IGQOVBAYSA-N	238.415	4.556	0	10	BJAE	
COCCCCCc1cc(C)c2sccc2c1	2307463207	GUIIUUPBGAYBKB-UHFFFAOYSA-N	248.391	4.569	0	10	BJAE	
CCC[C@H](CC)CC1CC2(CCC(N)CC2)C1	2307819359	KUNJGDMSLOCDPW-CUUNVARJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(C2CC2)CCCCCN1	2307819809	PZAFSZYBFFQANW-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC[C@H](CC)CC1	2307821653	DLVHQIIAJCLXAO-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@@H]1CCC[C@H]1C(C)C	2309893230	ARFNBYULVMTTHO-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC[C@@]12CCC[C@@H]1C2)CC1CCCCCC1	2310374872	IBRMUPHZKKASLQ-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@@H]1C[C@H]1C(C)(C)C	2311511734	GKXSHPUMNNNPKB-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCC[C@@H]2CCCC[C@H]21	2311969270	RCPHQJIKFOXTBH-YYIAUSFCSA-N	249.442	4.610	0	10	BJAE	
CC1CCC2(CC1)CC(N)([C@H](C)CC1CCC1)C2	2313605638	YPWMDVKRTSBAHK-FBZFNHGYSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1(CC=C(C)CC)CCC12CCC2	2316492662	UKFFVLDAUDPILT-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC(=CCC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1)CCCC(C)C	2316501163	CKEQAFGZNQWJMG-ZSHCYNCHSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CC(CC(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316738759	KYWJPSHXZCPPCM-QEJZJMRPSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316749591	LUMKTCXWJZLTDI-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@H]1C[C@H]2CCC[C@H]1CC2	2316946030	PEADJAPURIACMR-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)[C@H](C)[C@H](C)C(C)C	2317827053	IZLCPBVLBVQRIX-INMHGKMJSA-N	247.426	4.574	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)C[C@@]12CCC[C@@H]1C2	2318592820	MUQCBQFPCGVPJE-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
CC[C@](C)(O)C[C@H](c1ccccc1)C1CCCC1	2319671916	NJUIKUMREYPTML-SJORKVTESA-N	246.394	4.512	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2320151209	GFXQPVTXRKIWGW-WBOJAVRRSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@@H]2CC[C@H]2C(C)(C)C)CCC1	2320251940	DSXGLUVTGZRFLY-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C=C1CCC[C@@H](CCN)C1	2320251984	FEAQHSVRJBOBLL-CWRNSKLLSA-N	249.442	4.524	0	10	BJAE	
CC1=C(C)C[C@H](CNC[C@H]2CCCC[C@H]2C)CC1	2320412539	OPWGNPAJIZSVQP-DJIMGWMZSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@]2(C)CC=CCC2)C1	2321639560	LYIHOWZKXPEDBP-PBHICJAKSA-N	248.410	4.908	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1cc(C)ccc1C(C)C	2327675608	NVELBNFDBGOCMY-RHSMWYFYSA-N	247.426	4.800	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccc(O)c(F)c2)c1	2327682095	UYMAYVXIFPGHRF-UHFFFAOYSA-N	244.309	4.630	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2CCCCCCC2)[C@@H]1C	20011078	POCDIAUYVVNYHU-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC(N[C@H]2CCCC[C@@H]2C)CC1	20553958	JYSTXFSMZSLZAM-LBDPXKHJSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](N[C@@H](C)CC)c1ccc(Cl)cc1	21041920	AJERIJYGHNCBEU-SMDDNHRTSA-N	239.790	4.569	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCCC[C@@H]1C	21501373	SLBIYSCSTCQDOH-GXFFZTMASA-N	237.774	4.639	0	10	BJAE	
CC[C@@H](C)CNc1ccccc1-c1ccccc1	21519347	NKDDRFHJYCBDBV-CQSZACIVSA-N	239.362	4.812	0	10	BJAE	
CC(C)C[C@H](C)Nc1cccc(C(F)(F)F)c1	21813943	UJMWZFVMVLLHEX-JTQLQIEISA-N	245.288	4.552	0	10	BJAE	
CCN[C@@H](c1c(C)c(C)cc(C)c1C)[C@H](C)CC	35547132	KXVXDQDJKSGJAZ-PIGZYNQJSA-N	247.426	4.617	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1	37215839	IOLSWYNNNIHYQO-UXLLHSPISA-N	243.394	4.766	0	10	BJAE	
Cc1cc(C)c([C@H](C)N[C@@H](C)CC(C)C)c(C)c1	37261076	VGFFFTMDRXPHQQ-HOTGVXAUSA-N	247.426	4.697	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC[C@@H]1C(C)(C)C)C(C)C	37271880	XTCBMOMMTCNURE-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CCCc1ccccc1-c1ccc(C(C)=O)s1	49559734	YHFNNUDKSLUZGQ-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CC1=Nc2ccc3c(c2C1(C)C)[C@@H]3c1ccccc1	67172229	JYXAWPQXGYWLNU-OAHLLOKOSA-N	247.341	4.564	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@H](NC2CCCCCCC2)C1	85084400	CQKVTLREYBLNSN-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)C2CCCCCC2)C1	87947125	NMTPTTRZNIMCML-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)[C@H]1CCC[C@H](C(C)(C)C)CC1	91354070	KLTFIFGUQJUOBQ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1cc(C)cc(F)c1	91510063	GICACWVGEXWTTL-WFASDCNBSA-N	235.346	4.515	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCCC2(C)C)c1C	94274260	LBXRXTCIUBKDQG-OAHLLOKOSA-N	231.383	4.684	0	10	BJAE	
CC(=O)c1ccc(SC2CCCCCC2)cc1	147455430	XUMMSEKYQWYWFT-UHFFFAOYSA-N	248.391	4.704	0	10	BJAE	
CCCCCC[C@@H](NCC)c1cccc(C)c1C	158406007	HNKZLQLWBSWQHM-QGZVFWFLSA-N	247.426	4.924	0	10	BJAE	
Cc1ccc2ccccc2c1[C@@H](O)CCC(C)C	161000789	DSADLTSIMRCYIG-INIZCTEOSA-N	242.362	4.618	0	10	BJAE	
C[C@H]1CC[C@@H](C(C)(C)CCC(C)(C)C)[C@@H](N)C1	222570561	OWHRGWGGDUMWSQ-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)[C@@H]1CCCCC1(C)C	226564299	IZVZIGQNKRWEEA-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1(C)CCCC1	228725971	YLZSUEXPTZUUKW-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](C=C(C)C)CC1CCCCCC1	229741786	KPLVJBVRTDVBEQ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NCCC2=CCCCC2)C1	230986451	KBDCOEXLUYLQGY-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)Nc1cc(F)ccc1Cl	231812394	KVJKWGROKMRIRL-NSHDSACASA-N	243.753	4.860	0	10	BJAE	
CC(C)(C)CC[C@@H]1CNc2ccc(Cl)cc21	232493047	OGYWKYZUDVVSCS-SNVBAGLBSA-N	237.774	4.675	0	10	BJAE	
CC[C@H]1CCCC[C@H]1c1ccc2c(c1)CCCN2	234061194	XWYXMMCMUYGJLR-XJKSGUPXSA-N	243.394	4.729	0	10	BJAE	
CCC[C@@H]1C[C@H](CC)CC[C@H]1CNC(C)(C)C	251187614	SOJXFTWWUPOWAH-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CC[C@@H](C)C2)CC1	253312231	VTBWBSANNIDPHY-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@H]3C[C@H]4CC[C@H]3C4)c2c1	300263396	USICKRCTMGFYNN-IHRRRGAJSA-N	239.362	4.688	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1ccc(Cl)s1	300940981	ORMHBJZTFFVGDJ-VHSXEESVSA-N	246.803	4.507	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)CCC(C)(C)C)c1C	302334675	JJMTUCKKXJRJAP-HNNXBMFYSA-N	247.426	4.746	0	10	BJAE	
CCCNC[C@](C)(CCC)CCC1CCCC1	305986311	SBWUCDKTTPLPCB-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCCc1ccc([C@@H](O)[C@H](C)CCCC)cc1	306006465	LRCGIFBLXKNLSQ-PBHICJAKSA-N	248.410	4.889	0	10	BJAE	
CCCCCCC(=O)[C@@H](CCC)CC(C)C	308101265	FKHVIECVJIRPRN-AWEZNQCLSA-N	226.404	4.988	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1ccsc1Cl	308360087	ULKHAZTVLILMDU-MWLCHTKSSA-N	246.803	4.507	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CCC(C)(C)C)C1	309488850	ZAABPMBKILSPCZ-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H](CC1CCC(C)(C)CC1)[C@H](C)CC	310110387	FHMKJPRKRXOUAK-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCC[C@H]1C)C1CCCCC1	310242662	ITXKKNCWVMNYSG-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(=O)c1ccsc1)C1CCCCC1	310370421	XOIDLAUYCQOFON-LLVKDONJSA-N	236.380	4.537	0	10	BJAE	
C[C@H](CNCCCC(C)(C)C)C1CCCCC1	313256285	SXKGHZGSGDYHLJ-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](N[C@@H](C)c1ccccc1)C1CCCC1	313456772	BTWNUHOLWNEFGV-YOEHRIQHSA-N	245.410	4.696	0	10	BJAE	
CCCCC[C@@]1(CNCC)CCC[C@H](CC)C1	317125404	DFTYJUQOIWYPLA-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC(C)(C)C)(CC(C)C)C1	318056464	YXTGDYGHIBYAEM-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCCC2)CC[C@H](CC)C1	318427894	LSKUNIOHKXNDSC-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)(C)C)cc1)[C@@H]1C[C@@H]1C	322151342	IKKCLXLVSQRBAT-MAZHCROVSA-N	245.410	4.831	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)CC1CCCCCC1	379609366	NTEPVUKDTSCNIB-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2CCCC2(C)C)CC1	383560431	DUXHVKBPWUVVST-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCCC1(C)C)C1CCCCC1	383955138	HBCBNMWWICCNFG-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C(=O)c1ccc2ccccc2c1F	386213492	NENLVGRYIGSGFZ-UHFFFAOYSA-N	244.309	4.598	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CCC[C@@H](C)C1	386454088	DJORHIDIMFTQRO-KGLIPLIRSA-N	244.378	4.819	0	10	BJAE	
CCCC[C@H](CC)C[C@](O)(CC)C1CCCC1	387597546	VBNCVGIXYGYAFV-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)[C@@H]1C[C@H]1CC	387718519	GRJXKWFAHXXKEG-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H](N)CC1CCC(C)CC1	390277621	UGKADLWQUOXSGC-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CCSc1ccccc1NCCC1CCCC1	394620563	LJRQNFPXORILQU-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](CC)C1CCCC1	395722661	OBBBBSLSTXSWDK-JKSUJKDBSA-N	239.447	4.904	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@H](C)C(C)(C)C	399140011	ZJHGSWZACLAALW-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CC(=O)CC(C)(C)C2CC2)CC1	405771238	KVVUQSCCLYLCEA-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@](C)(N)CC(C)(C)c1ccccc1	686664879	NZAGGRLSSXWMGJ-KRWDZBQOSA-N	247.426	4.508	0	10	BJAE	
CCSc1cccc(NCC2(CC)CCC2)c1	690093109	OTCOQSKZFBNUPQ-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CCC[C@H](N[C@@H](C)C(C)(C)CC)[C@H]1CC1(C)C	695154969	YXASYOCGWRPJTE-MJBXVCDLSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CC[C@H](NC2CCC(C3CCC3)CC2)C1	695908045	IKJUCMJAXIMUGI-MFNRNEDNSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)Nc1ccc(C(F)(F)F)cc1	697974568	ZVBYNCLMLGQAGE-UHFFFAOYSA-N	245.288	4.552	0	10	BJAE	
CC(C)=CCCCc1ccnc2ccccc12	704725910	CLZQSFUGWHWVNX-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CC(C)Cc1ccc([C@@H](N)[C@H](C)CC(C)C)cc1	704757942	YXVVUHKNKCKHTM-PBHICJAKSA-N	247.426	4.567	0	10	BJAE	
C[C@@H](C[C@@]1(N)CC2CCC1CC2)C1CCCCC1	704886673	PJEGAGSHUZJNES-VFNXUKNFSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H](C)CC(C)(C)C	708285693	JNPRVGRQEZYFQG-LSDHHAIUSA-N	241.463	4.993	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)[C@@]23CCCC[C@@H]2C3)c1	709108236	FCXALNPXVGHGGZ-INMHGKMJSA-N	243.394	4.684	0	10	BJAE	
Cc1cc(C(=O)[C@H](C)CC(C)C)sc1Cl	709116171	FLNRUYMRUSHSFM-MRVPVSSYSA-N	244.787	4.575	0	10	BJAE	
Cc1cc(NCCCC2CCCCC2)cs1	710730258	YQITZEPYGOMUMD-UHFFFAOYSA-N	237.412	4.829	0	10	BJAE	
CC[C@H](C[C@H](O)CCC=C(C)C)C(C)(C)C	711053460	NMKMWZBTNMJRBE-ZIAGYGMSSA-N	226.404	4.556	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(O)CCCC(C)(C)C	713032109	PAWGWMMHCQUNJX-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H](C)c1ccccc1	713129733	MFKGGBUSKITUMI-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC(C)(C)C)CC1(C)C	713165380	GUTFFQVTEQWELN-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H]1CCCC[C@@H]1CC(C)(C)CC	713184472	OLCAEWPRXYSBPX-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(C)(C)Cn1ccc2ccc(Cl)cc21	713239047	GDCUUSPTODEJSS-UHFFFAOYSA-N	249.785	4.977	0	10	BJAE	
CC(C)C(C)(C)COc1ccc(Cl)cc1F	713239569	KSKJTGLZCNGJJZ-UHFFFAOYSA-N	244.737	4.540	0	10	BJAE	
C=C/C=C\CCCc1csc2ccccc12	713631416	FKKSBKAHLPDYRW-ARJAWSKDSA-N	228.360	4.966	0	10	BJAE	
C=C/C=C/CC[C@H](NC)c1ccc(C(C)C)cc1	713733870	IPGJNKFAGPZDOK-LXXRFIIISA-N	243.394	4.593	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@H]3CCCC[C@H]32)CCCC1	714322442	MDHYXXZNFVXBLB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1cccc(F)c1F	714545738	AMTFLACXGUCXBV-MVIFTORASA-N	224.294	4.815	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1C[C@@]1(C)CC	720953033	MSAPYCWXCNPTQG-OWCLPIDISA-N	237.431	4.514	0	10	BJAE	
CC(C)c1csc(S[C@@H]2CC[C@@H](C)C2)n1	1166457868	DPIFNPBHRRFSMZ-NXEZZACHSA-N	241.425	4.547	0	10	BJAE	
CC[C@H](NC[C@H]1C(C)=CCC[C@@H]1C)C1CCCC1	1560831533	LINBBWIVRKPULE-XIRDDKMYSA-N	249.442	4.537	0	10	BJAE	
CC(=CCl)CNc1cc(C(C)C)ccc1C	1900569955	OTSYYFLOVFAYMD-UHFFFAOYSA-N	237.774	4.673	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H](C)CC(C)(C)C	1905454550	SLZDJYWUIWKELZ-IHRRRGAJSA-N	228.420	4.636	0	10	BJAE	
CNCC(=C[C@H]1CCC[C@@H](C)C1)C1CCCCC1	1907324667	SKUQORXFEMYKHN-CABCVRRESA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@@H](C)C(C)(C)C	1907595011	VBPGBFOCGGTJNL-HZSPNIEDSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H](CCC=Cc1ccccc1)[C@@H](C)CC	1911960623	HMJQJAGFFMYFLF-RDJZCZTQSA-N	245.410	4.504	0	10	BJAE	
C=CC=CCC[C@]1(CNC(C)C)CCC[C@@H](C)C1	1911984981	JDLPFXXQRXCNTH-SJORKVTESA-N	249.442	4.703	0	10	BJAE	
C=CC=CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC	1912050319	ZFSVSKQXQOMZPB-OAGGEKHMSA-N	249.442	4.559	0	10	BJAE	
CC[C@](N)(C[C@H](C)CC(C)C)c1ccc(C)cc1	1919458208	KMUBPXUNIRIHCW-WBVHZDCISA-N	247.426	4.631	0	10	BJAE	
CCC[C@]1(CC[C@H]2CC2(C)C)CCCCCN1	1921541535	QHLZTEFSKBFRDD-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@@H]1CCCC12CCC2	1921595096	LQVKGPQKZLXUTP-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCCC1)C1CC(CC)C1	1925772221	HKPZAWZEOGMBTD-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C[C@@H]2C=CCCCC2)cc1Cl	1925817026	MMXUVVDUENTMON-CYBMUJFWSA-N	234.770	4.937	0	10	BJAE	
CC1(C)CC[C@H](CN)[C@@H](C[C@H]2C=CCCCC2)C1	1925892594	OQTQVKRSAVJNCG-XHSDSOJGSA-N	249.442	4.524	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2C=CCCCC2)CC1	1925942815	NCXPYTGLJHDXKI-AQFXKWCLSA-N	249.442	4.811	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCC[C@H](C)CC1	1939896727	ZUGCWSZRWKYNML-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@@H]1CCCC[C@@H]1C)C(C)C	1941268555	HJBCKAKHPDXHNV-ZNMIVQPWSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)CCCCCC1CC1	1941590944	HAYLMKOMFNMGJC-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@H](C)CCC(C)C	1942658003	GDAZSQDYALXKAS-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCCCC12CCC2	1947903226	FJFGKTCHSBHAGP-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)c(C)cc1Cl	1948808414	AXEXBRFDOGVXSH-OUCADQQQSA-N	249.785	4.557	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CCC1=CCCCC1	1949041866	UFUUQHIIUXJCIX-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@@H]1CC[C@@H](C)C1	1949527965	DDRITKXSORWMPO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC=CCC1)C(C)(C)C	1949832228	ULSIQRCOTKJOTC-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
N[C@@H](CC1=CCCCCC1)CC1CCCCC1	1949918965	VLRSDZFDWXCBKI-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(OC(C)C)cc1	1951309183	WKKLONVWFKSZLC-AWEZNQCLSA-N	232.367	4.934	0	10	BJAE	
CCCC(C)(C)c1nc([C@H](C)CC)cs1	1958155435	QYQUJOSZNJFJOQ-SNVBAGLBSA-N	225.401	4.734	0	10	BJAE	
CCCC1CCC(NC[C@]2(C)C=CCCC2)CC1	1966037636	KKPSWXLSHZBNKU-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](Nc1cccc(C2(C)CC2)c1)C1CCC1	1967831888	FNCBESZDMUNWCC-MRXNPFEDSA-N	243.394	4.729	0	10	BJAE	
CCCCN(CC)Cc1cc2ccccc2s1	1968352700	ZZGLBNYNCBBUSR-UHFFFAOYSA-N	247.407	4.523	0	10	BJAE	
CCc1ccccc1NCC[C@@H]1CCC[C@@H](C)C1	1968359665	FGHMQZLPXNQTGQ-CABCVRRESA-N	245.410	4.877	0	10	BJAE	
CC1(C)C[C@H]1CN[C@H]1CCCC2(CCCCC2)C1	1969588486	CRPZTZAXHCUNCR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCCN(C[C@@H](C)C(C)(C)C)[C@H](C)CC	1978896867	UINDZBOKCNVVCY-ZIAGYGMSSA-N	227.436	4.569	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)c2cccs2)C1	1980686924	HWFPVNKFEFTQHJ-NSHDSACASA-N	236.380	4.537	0	10	BJAE	
Fc1ccc(CC2CC(=C3CC3)C2)cc1Cl	1985532094	FHRHQELHMZRDLX-UHFFFAOYSA-N	236.717	4.522	0	10	BJAE	
CCCC1(CC(=O)CCC(C)(C)C)CCC1	1988435446	XHTMWSUABSTMRL-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCN(CCCCCC(C)C)C(C)(C)C	1990844986	FUWOTOLBOCISLG-UHFFFAOYSA-N	227.436	4.713	0	10	BJAE	
CCc1cccc2c(C[C@H](C)CC)coc12	1995462906	CVJYFNILYUEQFM-LLVKDONJSA-N	216.324	4.584	0	10	BJAE	
CC[C@@H](C)Cc1coc2c(C)ccc(Cl)c12	1995464049	QDSNXVNVFMMHCY-SECBINFHSA-N	236.742	4.983	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(O)C1(C)CCCCC1	1995985533	KFHNQIILYPMYJT-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H](C)C1)CC(C)(C)C	1996259192	FMQNSLOVQBHFNU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@H](C)C1)C(C)(CC)CC	1996273559	UQLGZECNIAEOMA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H](NC1CCCCC1)C1CCC(C)(C)CC1	1996552144	JWTZMKMCRCNWJH-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1CCC[C@H](CC)CC1	1997109342	OPURLPKNXMRADH-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@@H]1CC=CCC1	1997549731	CGZZBRKVASZPGH-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC1CCC1)CCC(C)(C)CC	1998038795	UVOBQGBUGPQDLM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)CC1(C)CCCCC1	1998743770	RRVSFLJKRDXYQC-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(NCC2CC=CC2)cc1	1998845303	SEBGWDNBHJOIEX-ZDUSSCGKSA-N	229.367	4.578	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@H]1CCC=CCCC1	1999992873	IXEMZRGWPGMQJQ-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C(CC)(CC)CC	2000215445	VHUWVPYVCXOTJB-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC(C)C[C@@H](N)C1CCC2(CCCCC2)CC1	2000275616	SVKFFRUCIRJKEC-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1CC12CCCCC2	2001261155	ZKCIBRZBZQFUEH-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](CC(=O)C1CC(C(C)C)C1)C(C)(C)C	2002324509	NJFIFCFFXZJVJY-RUXDESIVSA-N	238.415	4.700	0	10	BJAE	
CCCC1CCC([C@](C)(O)CC2(C)CC2)CC1	2002925235	OCHKISZBZZVDHG-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
O[C@@H]1CCCCCCC[C@@H]1C1CCCCCC1	2003118473	RUCPDNWSJVCFEJ-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CC1(CC(=O)C2(C)CCCCCCC2)CCC1	2004937159	LAAUYUGWJYMUFO-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@@H](C)CCNCC1(C)CCCCCCC1	2004942148	PNLDDJJZLFKOAI-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)CC[C@@H](O)[C@H]1CCCCC12CCC2	2005602543	YACFZXXZJZHQRE-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1C[C@H](CC)C[C@@H](N)C1	2006628416	PMDUGORZMDUZJE-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H]2CCC=CCCC2)CC1=O	2006933070	OIIPPVRHZHMMGS-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CC=C([C@@H](N)C[C@H](C)CC(C)(C)C)CC1	2010625455	NWXSDZAXFJACHX-IPYPFGDCSA-N	237.431	4.523	0	10	BJAE	
C=C=CCC[C@H](NCCC)c1csc(C)c1C	2010995284	OFOJHPCRTILJBJ-HNNXBMFYSA-N	249.423	4.527	0	10	BJAE	
CCc1ccccc1CCC1CC(=C2CC2)C1	2011086945	JDCAISTZABEMQF-UHFFFAOYSA-N	226.363	4.682	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCC[C@H]1C[C@H]1C	2011571320	CWJLUHHWQPXQOR-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(N)CC1CC2(C1)CC(C)(C)C2	2011846320	ASJUJLYEEBZGRC-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@](CC)(C(C)C)[C@H](C)CC(C)C	2012421139	IXJXVJNEBGFMCL-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CC(C)CCCCCN[C@H]1C[C@H](C(C)(C)C)C1	2013706728	FUHOZOKOUGIEEA-SHTZXODSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](C[C@H](C)C(C)C)NCC	2015290269	IPUGAJFCRVZMAR-XHSDSOJGSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](C[C@H](C)C(C)C)C1	2015410271	UQDCSYWDMLLZGP-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(=O)CC1(CCC)CCC1)C(C)C	2015589072	NMJDYDAANZGIIE-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)[C@H](C)CC(C)C	2016144521	KBFBMXPEHYKANU-PMPSAXMXSA-N	239.447	4.782	0	10	BJAE	
CC(C)=C(C)CNc1ccc(C2(C)CC2)cc1	2017469183	CIHRSPPENUASOM-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
CCCC1CCC(C[C@]2(O)CC[C@@H](C)C2)CC1	2017648549	NUYNPEWIFBYYNH-LMPOIIKSSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CCC[C@@H](O)C2CC2)CC1	2017714620	HKVRCNBJPYMGQS-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCCCC1CC(N)(C[C@H]2CC[C@H](C)CC2)C1	2017729213	UKBVWMNCCJEYGO-MSBXVQKDSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CN)CC[C@H]1CC[C@H](CCC)CC1	2017735121	DJVRXMQXEWODLV-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](CC)N(C)C[C@@H](C)C1CCCCC1	2019233321	VQAPEYHEUWMXKF-GDBMZVCRSA-N	239.447	4.713	0	10	BJAE	
CCC1(CC)CC(N(C)[C@H](C)CCC(C)C)C1	2019406924	MOOBGDUNBAWSOS-CQSZACIVSA-N	239.447	4.712	0	10	BJAE	
CCCN(CC(C)(C)C(C)C)C1CCCCC1	2020534089	LHLQIJVYOGBKOG-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H](C)C1CCCC1	2020969129	YTNGYEIHTCIFSB-CZUORRHYSA-N	237.431	4.537	0	10	BJAE	
CC(C)SC[C@H](C)Nc1ccccc1C1CC1	2021028602	UBTKXJUMGGNDHN-LBPRGKRZSA-N	249.423	4.506	0	10	BJAE	
CCCC[C@](C)(N)C[C@@H]1C[C@@H]1C1CCCCC1	2022502849	TYICBVJVNIOTFG-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2CC(C)(C)CCC2=O)C1	2024122791	GJNMMNCYNHRBLH-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
OC1(CCC2(F)CCC2)CCCCCCCC1	2025263432	UFEINYHZSJDDQR-UHFFFAOYSA-N	242.378	4.524	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H]2C=CCCCC2)C1	2025436276	TWOOPPJGSRMJEJ-SHARSMKWSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](O)(CCC2CCCCC2)C1	2025571152	OUAZFEYRRAPYQE-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)C1CC2(CCC2)C1	2026166082	HEKKIYOMIBMOKT-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C1CC2(CCC2)C1	2026170044	MXDCZJDOOQZPCT-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1(C)CCCCC1)[C@@H](N)c1ccccc1	2027315011	ANLQPWWPSFGYON-GOEBONIOSA-N	245.410	4.683	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@@H](C)C1CCC1	2027517199	DUGVGVMBXYAZGD-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
N[C@H](CC1CCCCC1)c1ccccc1C1CC1	2028553299	XROLBCULMSSYMA-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2C[C@H]3CCCC[C@@H]32)C1	2028786726	MNHOHAJHCQAICS-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@H](C)CCC(C)C)cc1C	2029836783	LXFHDTYYVHXEPD-SJKOYZFVSA-N	248.410	4.718	0	10	BJAE	
CC1CCC(NC[C@@]23CCCC[C@H]2CCC3)CC1	2031807596	GLOABRYLIDQDOM-XGHPGWEVSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)[C@H]1CC12CCC2	2032133780	FMLDPLKTYLMUEY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCCC1)CC1[C@@H]2CCCC[C@@H]12	2032775657	GSZYNCGWBWZFRE-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
N[C@]1(CCC2=CCCCC2)CC[C@H]2CCCC[C@H]21	2037174022	ZNJBHKNFLFGNED-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CC1(CCC[C@]2(N)CC[C@@H]3CCCC[C@H]3C2)CC1	2037179325	KPJMJWLOSLMDKP-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1ccc(C2CC2)cc1	2037210300	WQUYDRZNUKOBOI-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC1(C)CC[C@@H](C2(N)CCC3(CCCC3)CC2)C1	2037587539	SQRNDQDSASZZEE-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H]1C)[C@@H]1C=CCCC1	2043189502	BLBZFBGSHSLHJI-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1C(=O)C[C@H]1CCC=CCCC1	2045313256	WMVWBZSXALLNES-HNNXBMFYSA-N	242.362	4.704	0	10	BJAE	
N[C@H](CC[C@H]1CCC=CCCC1)c1ccccc1	2045332003	KVIXMIMEADOEEF-DOTOQJQBSA-N	243.394	4.603	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccc([C@@H]2C[C@H]2C)o1	2045556585	ANZMONQESOUTJK-CHWSQXEVSA-N	246.350	4.722	0	10	BJAE	
Cc1ccc(N(C)CCC[C@@H]2CC2(C)C)c(C)c1	2046571555	VAZNCXRRYRXECH-OAHLLOKOSA-N	245.410	4.566	0	10	BJAE	
CC(C)CC[C@](N)(C[C@@H]1CC12CCCC2)C1CC1	2047057610	BWKGSQGQLHPOES-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
FC1(CNc2ccc(C3CCC3)cc2)CCCC1	2047239373	WLLOZQDKMTWNTJ-UHFFFAOYSA-N	247.357	4.648	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C1CCC2(CC1)CC2	2048880466	RUXQVFHMTGISCG-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(CC2(CNC3CC3)CCCCCCC2)CC1	2048882454	LCIRFAJQFKETMM-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
O=C1[C@H]2CCCCCCC[C@@H]2C12CCCCCC2	2049672194	KDYDAGURHKXQCA-GJZGRUSLSA-N	248.410	4.886	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2CCC3(CCCC3)C2)CCCC1	2049804373	MEOYDXZHIMHRBJ-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(=C[C@H]1CCCC2(CC2)C1)c1cccc(N)c1	2049863880	ZBTRBOHUSFOCBM-CQSZACIVSA-N	241.378	4.643	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@@]12C=C[C@@H](CC1)C2	2050007876	GHYIYJWPWDADCV-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1C(=O)CCC1(C)CCCCC1	2050457148	ZDZYFFMWNGTHEU-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCCC[C@H]2C2CCC2)C1	2051667378	BNJNHBIPNIZYMJ-CVEARBPZSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCC1(C2CCC2)CC1	2051905351	KTZAEWOUFZVFGX-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CCCCCCC1	2052501233	TVCZDSSOZHPCNF-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C1CC=CC1)[C@H]1CCCC(C)(C)CC1	2053664425	KYWBTIHMPZIBPY-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccncc1N[C@H]1CCCC(C)(C)C1	2053854167	QDMWTMNKWSTQGX-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
CC(C)(CNc1ccc(CF)cc1)C1CCCC1	2055667780	PYNCLCHSLZQASO-UHFFFAOYSA-N	249.373	4.784	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@@H](CC)c1ccccc1	2056783157	SJTNBBCNTOAQNT-DLBZAZTESA-N	245.410	4.515	0	10	BJAE	
CC(C)[C@]12CC[C@@H](NC3CCCCCCC3)[C@H]1C2	2058567026	TYWSMBXSUBNMPC-BRWVUGGUSA-N	249.442	4.514	0	10	BJAE	
CC=CCCC[C@](O)(CC(C)C)c1ccccc1	2059224123	WWPAMDLOFLPIBH-KRWDZBQOSA-N	246.394	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C(C2(N)CCCCCC2)CC1	2061113831	SAUYKGPLMIYSEE-CQSZACIVSA-N	249.442	4.811	0	10	BJAE	
N[C@@]1(C2=CCCCCCC2)CCCCCC12CC2	2062008170	BUWSNTZIEKASGX-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CCC[C@H]1C[C@@H]1C)C2	2062653936	WSTUSMKMSNJBOR-YTVKCJQUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCC1	2063420560	SRLWDXQDICMAFH-ZSOGYDGISA-N	248.410	4.598	0	10	BJAE	
CC[C@@](CNC)(CC1CC(=C2CCC2)C1)C(C)C	2064509722	XXWYKPHHILGTFO-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
NC[C@H]1CCCCC[C@@H]1CC12CCC(CC1)CC2	2065337375	ACNQHBUCIFGXQD-JCCCHCCOSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@H](CC23CCC(CC2)C3)C1	2065340848	ZUUBONYWZDOGHF-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@]1(C[C@H]2C=CCCC2)CCC1(C)C	2068232491	GMDUBPVTMUGCKU-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2068701420	DKNWZYZUJNAAQY-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C(=O)CCC(C(C)C)C(C)C)c1	2068976185	HDYDMESGOYIMGR-UHFFFAOYSA-N	246.394	4.886	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C)CC1)C1(CC(C)C)CC1	2069520005	RVFYGUUIUNUARE-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)c1ccc(C(C)C)cc1	2072417264	NDLMGJKIDNFOCA-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CCCC1(C[C@@]2(CNC3CC3)CC[C@@H](C)C2)CC1	2074627769	YEGFILQZPVZEDI-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCC1(Cc2ccc3c(c2)CC[C@H](C)N3)CC1	2074636738	OHBGWFWVVDTPAB-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
CCCC1(C[C@H](N)C2CC3(CCCCC3)C2)CC1	2074643440	FKDJROQBVPCNGS-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@H]2CCCCC23CC3)CC1	2074649683	WFABJBVOHCOJPA-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N2Cc3ccccc3[C@H]2C)CC1	2074859166	IIOSMRFDGWEPBR-VQCLRJIVSA-N	243.394	4.532	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2C[C@@H]2C2CCC2)CC1	2079423622	ICBLIDPWEFRKHB-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@H]1C[C@H]1C(C)C	2079430749	GOHNANLATQMWFG-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCC1)[C@@H]1C[C@@H]1C1CCCCCC1	2079473296	KCFMBRXKALYXDU-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CCC1(CC)CC(N[C@H]2C[C@@H]2C2CCCCC2)C1	2079532051	SXQOQDFJZRCQTQ-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
Fc1ccc(N[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1	2081140939	MZYVKGSGWZRICO-UHOFOFEASA-N	247.357	4.597	0	10	BJAE	
CCNC[C@@]1(CC=C2CCC2)CCCCC1(C)C	2081683355	ICAVELRDOUAWAD-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H]1CC12CCCCC2	2081781735	VCROTXKBFFVGAA-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@@]23CCCC[C@@H]2C3)C1	2082973270	PVVLWYRDLGKQSJ-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H]1CCCNC12CCCCC2	2083815388	FBXNFIFCQUKESQ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H](c1ccccc1)N(C)[C@H]1CC(C)(C)C1(C)C	2084429771	OFJFFEZNYFQAEJ-HIFRSBDPSA-N	245.410	4.504	0	10	BJAE	
CCCCC[C@H](CC)O[C@H](C)c1ccc(N)cc1	2086295892	QGKXSJYVWDJBFE-CJNGLKHVSA-N	249.398	4.705	0	10	BJAE	
Cc1ccn(C2CCCCCCCCC2)c1	2211143932	WUOLZBMYZIKSQH-UHFFFAOYSA-N	219.372	4.862	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CCCCCCC1CC1	2213576841	VHYMOSAYUNNAHN-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@@H]1CC[C@H]1C	2214953085	XZVHBSGBKUYUQE-OLZOCXBDSA-N	249.423	4.645	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@]1(C)CC=C(C)CC1	2215811867	FXTQJTYWVADCBZ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC/C=C/CN[C@@H]1CCC[C@H](C(C)(C)C)C1	2216252216	ISIJLSKCEKHAMU-MHKRFPNSSA-N	237.431	4.537	0	10	BJAE	
CC1([C@@](C)(O)CCCCCCCC2CC2)CC1	2216896470	IOZYPAHDARJBGU-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)C[C@H](CNC1CCC1)CC(C)C	2217125128	MWQGREGNHLCCJM-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)C1CC(CC)C1	2217154242	RZCGUDKFMNUJLT-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(OCC2C[C@H]3CCC[C@H](C2)C3)cc1	2218328438	TVSUDQIPPMZLJS-GJZGRUSLSA-N	244.378	4.590	0	10	BJAE	
CC1(C)CCC[C@H](NC2CC(CC3CC3)C2)CC1	2218492994	AFPIMJNTEUAIKX-PCKAHOCUSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C/C=C/c1ccccc1)C[C@H](C)CC	2219089246	ZFIKLCBENJHSAS-PZJZIFHPSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](NC)c1c(C)cccc1C	2221998485	XBQWUJDFOUBJOY-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
N[C@H](C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCCC1	2222972953	OYCWRIAUWGZREC-YQFWSFKMSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)c1csc(C)c1	2244778965	BZNPYNSKWDWKMP-JSGCOSHPSA-N	239.428	4.533	0	10	BJAE	
CC(C)CC(N)(CC(C)C)CC1(C)CC(C)C1	2246527893	SCABUFYUPFPXHL-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC1(C)C)CC(C)(C)C	2247309171	UNLQLHIZKVJPQU-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCNC(C(C)(C)C)C(C)(C)C	2247717143	ICJSTSZVIJRKDE-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H](C)[C@H]1CC12CCC2	2248292279	RXTYAKPHYREKIW-VXGBXAGGSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)CN(C)CCCCC[C@@H]1C[C@H]1C	2248842493	QPALNVFQIKWMMG-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CC(C)(C)c1cccc(NCc2cccs2)c1	2249297186	OFOAWLNYPXCPHG-UHFFFAOYSA-N	245.391	4.658	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@@H]1CCCC[C@@H]1C	2250351122	AFROWOAPSQHOQC-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](CC)CCC)cc1	2250359886	FYRPFAVLWWVGAJ-AWEZNQCLSA-N	232.367	4.648	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@H]1CCCC(C)(C)C1	2250409529	QZGPHHQAVATURB-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)CNC1CC1	2250492439	VQMWYBITIUUIMF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C(=O)[C@@]23CCCC[C@@H]2CC3)c(C)s1	2251128091	PEVJZLUUVWKODC-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2C=CCCCCC2)C1=O	2251709127	VPZNQCOUAYRVIQ-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H]1CCCCC12CC2	2253811371	VVYRNSFBUURREJ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC=CC[C@@]1(CN)CC[C@H]1CCC[C@@H](C)C1	2253940288	YZSYTIJMGYVSQS-TWMKSMIVSA-N	249.442	4.524	0	10	BJAE	
CC(C)C1([C@H](N)CC2CC3(CCCC3)C2)CCC1	2254052552	BEXLIPNUEKNGJH-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC2CC3(CCCC3)C2)C(=O)C1	2254052630	BJOAZWFOGBKKJN-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C[C@@H]1CCC1(C)C	2255010397	RUMODZIIGJVHSU-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)CC[C@H]1CCCC12CC2	2255224838	JTIRMBNRVREZFW-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCCC1)NCC[C@H]1CCCC12CC2	2255229160	VZTJPHLEJXBDFC-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(C[C@]12CCCC[C@H]1CC2)C1CCCC1	2260655001	BCGJNJYFMDDXMO-UAGQMJEPSA-N	249.442	4.645	0	10	BJAE	
c1cc(NCCC2CCC2)cc(C2CCCC2)c1	2260671501	ZAPZSHZOHPXFQE-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC[C@H]2C[C@H]2CC)CC1	2298124653	KCMXLZRHPUBZLM-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)[C@H](C)CC1CCC1)CC(C)(C)C	2298904138	FXCHZVFHEIDWTM-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
C[C@H](CC1CCC1)n1ccc2cc(F)ccc21	2298935722	KLCDRTLEEYIQBS-LLVKDONJSA-N	231.314	4.532	0	10	BJAE	
CCC(C)=CC[C@]1(N)CCCC[C@@H]1C(C)(C)C	2300899511	OVQUUZWFBASEFD-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CC[C@@H]1CCOC2(CCCCC2)C1	2300928801	JGCLDPAJPLNHLR-OAHLLOKOSA-N	236.399	4.862	0	10	BJAE	
CCC1(C)CCC(N)([C@@H](C)[C@H](C)C(C)C)CC1	2301836392	MEUYVYIVKKXOCC-QVOMUQBLSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](NC)[C@H](C)[C@H](C)C(C)C	2301837914	CMUQWSZTMXCNQT-KLHDSHLOSA-N	241.463	4.575	0	10	BJAE	
CCC[C@@H](CNC(C)C)C[C@H]1CCC(C)(C)C1	2302710945	UWQPSKIDNXQWJI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(O)(CC[C@H]1CCC(C)(C)C1)C(C)C	2304352363	QXIVJQDMVHTZFO-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CC[C@@H]1CCC(C)(C)C1	2304432479	VUNCSJHHXJHDTH-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)Cn1ccc2ccc(F)cc21	2307806040	KHVBEFFLASGOSR-GFCCVEGCSA-N	233.330	4.607	0	10	BJAE	
CCC[C@H](CC)C[C@H](C)[C@H](C)CNC(C)(C)C	2307826833	RAWNGLSZVDNDDE-ZNMIVQPWSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CN)CCC[C@@H](C)CC1	2307845371	TWDAPJJWZATHJO-OWCLPIDISA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CC1CC(CC)C1)NC	2307908235	GMLZFMXNGYUTQY-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CC[C@@H]1C[C@H]1C1CC1)C1CCCCC1	2308670521	ZQHIRKVIPFHRDX-HYVNUMGLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](N[C@H]1C[C@@H]2CCCCCC[C@@H]21)C1CCC1	2309183316	GYYHOQFJBZALRK-NXOAAHMSSA-N	249.442	4.514	0	10	BJAE	
C[C@@]12CC[C@@H](Nc3cccc(C4CCC4)c3)[C@@H]1C2	2310555664	USHDOIXPQDRADL-BBWFWOEESA-N	241.378	4.555	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@H]1C[C@@H]1C1CCCCC1	2311610507	UAKFQYQOMOFREV-QXSJWSMHSA-N	248.410	4.598	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1C=CCCC1)CCCC(C)C	2316503479	PRZGPENIOPWFDD-SJORKVTESA-N	249.442	4.833	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H]1CCC[C@@H]2C[C@@H]21	2316536976	PLGRTNNVGWMLJC-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(N)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316878735	PHTLXFYFKAJTAU-OLGJIQAVSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317144359	XHYYLOVWWNBIMI-FPCVCCKLSA-N	248.410	4.764	0	10	BJAE	
COc1ccc2c(ccn2[C@@H](C)[C@H](C)C(C)C)c1	2317827906	OLUISGBVQFELGU-OLZOCXBDSA-N	245.366	4.503	0	10	BJAE	
CCCCC1CC(NCCCC2=CCCCC2)C1	2318525432	YRXLIAUIQLYPCO-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H]1C[C@@H](C)CC[C@@H]1CCCC1=CCCCC1	2318537524	FUILPNRTBUNGSJ-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
OCC1(CCCC2=CCCCC2)CC2(CCC2)C1	2318540216	IYKFKOQTXVWIPJ-UHFFFAOYSA-N	248.410	4.600	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@@]1(C)C[C@@H]1C	2318583929	VGLFIZQQQUSWOX-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)[C@@]1(C)C=CCC1	2318589960	WAXGQJITYRCNNL-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC[C@H](N[C@@H]1CCC(C)=C(C)C1)c1ccccc1	2320238657	XASNSHXUMIJPSR-SJORKVTESA-N	243.394	4.616	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(N)CCCC23CCC3)CC1	2320388508	QQKYQPOZFNLIQN-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCCCCN1C[C@@H]1CCC(C)=C(C)C1	2320400680	ZZDQTTFAZYXPNF-SJORKVTESA-N	249.442	4.778	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC(C)=C(C)C1)c1occc1C	2320409309	SWQBVJAFGNOILJ-HUUCEWRRSA-N	247.382	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2cc(C)cc(F)c2)CC1	2320414380	YALBMHUUCIBNEC-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@H](CC1CC1)C1CC1	2320814681	XWXZDUBSFJEFMH-IAGOWNOFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@H]1Nc1ccccc1F	19980293	NEPDZTPBDBYPOE-GXTWGEPZSA-N	249.373	4.843	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccccc1C(C)C	19993710	VRZCYUWQFPETOU-CHWSQXEVSA-N	219.372	4.657	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cc(F)ccc1F	21055807	LLACCLMPKORUGF-ZYHUDNBSSA-N	241.325	4.592	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccccc1	36850567	ZOWUNQPLHQWAKV-XJNFMUPTSA-N	245.410	4.552	0	10	BJAE	
CCCc1ccccc1NC1[C@@H](C)CCC[C@@H]1C	36974301	QNTSJSCFEGIUJG-KBPBESRZSA-N	245.410	4.876	0	10	BJAE	
CCCC1CCC(N[C@H](CC)CC2CC2)CC1	70106011	FBZYCZNYNHSGAY-OGVSOVDVSA-N	237.431	4.514	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@H](CC)C2)cc1	71105853	WGDNPLYFKGIPAQ-GOEBONIOSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccccc1Cl	71126027	BDMGIPKBBZUKGS-GFCCVEGCSA-N	239.790	4.968	0	10	BJAE	
C[C@@H]1CC(Nc2ccccc2Cl)C[C@@H](C)C1	82829418	DGWWHWKJXIIXPF-QWRGUYRKSA-N	237.774	4.577	0	10	BJAE	
C[C@H]1CC[C@H](c2ccc(C3CCCCC3)cc2)N1	84071196	FXTXJGKLMHAANJ-SUMWQHHRSA-N	243.394	4.547	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)c2cccc(C)c2C)C1	87988510	KEMIJUHIGGRELU-VYDXJSESSA-N	245.410	4.520	0	10	BJAE	
CCCCCCN[C@@H](C)C1CCCCCC1	88163148	XIYNGIBQOHCADG-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC/C=C\C[C@H](C)c1ccc(CC)cc1	107484899	MBOUBFGYPMROPP-FWWRYZNZSA-N	202.341	4.709	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@@H](C)CC[C@H](C)N	107600000	GWKWKGRWTCFKAN-JSGCOSHPSA-N	247.426	4.523	0	10	BJAE	
CC/C=C\[C@H](C)Cc1ccc(Cl)c(C)c1	107618977	NULHQPNVMPGQAM-GZTOBOFZSA-N	222.759	4.793	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1ccc(C)c(C)c1	109781465	USCASVGXDDQIBE-GOEBONIOSA-N	234.383	4.553	0	10	BJAE	
CC(C)(C)[C@H](O)c1ccc(C2CCCCC2)cc1	110916405	UECLVSXUVXREBA-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NCCC(C)(C)C)cc1	112922397	IRVLHSPHXMMPOO-CQSZACIVSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C1CCC(CC)CC1	125465896	ZDIFANPWXUIVIY-BHDPWAOGSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)c1csc(Cc2ccccc2C)n1	132267579	LIWCYFAYBHPRNN-NSHDSACASA-N	245.391	4.556	0	10	BJAE	
CCCC(CCC)[C@@H](N)C1CCCCCC1	133343020	NYKKQCSLUHZPST-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCC[C@@H]1CNC	155534244	XCYRINCGSFUBGT-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	159661590	IOAWWWCDJWDNSD-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC[C@@H]1CC	164022593	HRHQRXRNGMQYRH-ZFWWWQNUSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1Cc2ccccc21	167724222	DLSMRYOFYQTPIM-HIFRSBDPSA-N	244.378	4.502	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](CC)c1ccccc1	168073012	GDBAJHNGPIVTIP-IAGOWNOFSA-N	247.426	4.595	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H](CC)c1ccccc1	168239258	UNVXRTFJJKKAOV-JKSUJKDBSA-N	234.383	4.512	0	10	BJAE	
CCCC(=O)C1CCC(C(C)(C)CC)CC1	211736942	LXWNQDYHRCFQOY-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)C[C@H]1C[C@@H](c2ccccc2)CCC1=O	224521851	FKZZHCXSJRWETD-BPUTZDHNSA-N	244.378	4.576	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CC[C@@H](CC)C1	227196325	YOYCWGAJPNKEAT-RBSFLKMASA-N	225.420	4.514	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@@H](C)CCC	229151400	AEOKLWUSXMXSSZ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC1CC1)Nc1cccc(Cl)c1Cl	229672480	ZWNGAPHUORGTBH-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C1C[C@H](C)C[C@@H](C)C1	252899614	HUNQERHGMJOFHH-NYTXWWLZSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	253193887	PFOPSNUWJJSSMK-QRJUGERDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(n2ccc3ccc(F)cc32)C[C@@H](C)C1	305669981	AVRUJQQMWVEIKU-RYUDHWBXSA-N	245.341	4.778	0	10	BJAE	
Cc1csc2c(Cl)cc(C(F)F)cc12	306814973	BGBURWKQSUFLOJ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CSc1ccc(C)c2scc(Cl)c12	306915149	VNXCWRLYNKEVEH-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CSc1cc(C)c2sccc2c1Cl	307425742	FMFGRTAQABXIHO-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCCN[C@@H](C)/C(C)=C\C1CCCCCCC1	309985477	KVPVOPJRRBWYQA-PLFFATQSSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](CCCC(=O)C(C)(C)C)C1CCCCC1	310344253	OTXVZQOAIQSBMJ-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCc1ccccc1[C@H](O)CC1CCCCCC1	310800079	DEYYQXUAGXCWFJ-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1C)C1(CC)CC1	310848278	CQZLJXOPLWWARM-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H](C(=O)CC1(C)CCCC1)c1ccccc1	311234243	SFYQDIPZVOCXBR-OAHLLOKOSA-N	244.378	4.720	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC12CCCC2	327996170	MQHXZYIEVPLSHX-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
C[C@@H](CC(=O)CC1CCCC1)C1CCCCC1	384163444	UOGGJCYGIDLCHD-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)c1cccc2ccsc12	386240107	AREDZMSLJMHXFJ-RISCZKNCSA-N	247.407	4.583	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cccc2ccsc12	386359932	VZEASRQHBABXQN-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
C[C@H](Cn1ccc2ccccc21)C1CCCCC1	386583361	AVCRMWAXBJEXBA-CQSZACIVSA-N	241.378	4.858	0	10	BJAE	
CCCCC[C@@H](C)NCCC1(C)CCCC1	390606780	YAJVOJPHDTVIJD-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](C)CCNc1cccc(C(F)(F)F)c1	394398985	JSLLMLPVHGBBOM-SNVBAGLBSA-N	245.288	4.554	0	10	BJAE	
CCc1c(F)cc(C(F)F)c2sccc12	396206509	BPIGYFAHHPLGHL-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCOc1ccc(C)c2sc(C(F)F)cc12	396238226	JSNQGRHDFSVMRA-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1CC=CCC1	402145917	MITKSVUYWIWIAJ-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)c1cccc(C(C)C)c1	688923692	DQHUYYPZRXHYQL-LSDHHAIUSA-N	247.426	4.692	0	10	BJAE	
CC[C@H](Nc1ccc(C2CCC2)cc1)C(C)C	690152125	BARNSSBWKJIFFF-INIZCTEOSA-N	231.383	4.801	0	10	BJAE	
Cc1cc(-c2cccc(C)c2N)c(C)cc1Cl	690432843	BURZRSSGZPGVKP-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C1CC2(CCC2)C1	691958730	CPJIUFUHCQDAOP-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@]12CCCC[C@H]1C2	693183451	OXRPAPCLYDYFKK-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CCC(C)(C)CC)C1	696740699	RSAKHEFXRBZHGJ-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCCC(C)(C)[C@H]1CC[C@H](C)CC1=O	697805523	BSMFCKYPYPNFHA-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)CCC1CCCC1	704475472	WQXRKCRQCOGEHH-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCc1ccc(N[C@@H](C2CCC2)C2CC2)cc1	705325947	SEWYNOFXLTVZPD-KRWDZBQOSA-N	243.394	4.630	0	10	BJAE	
Cc1cc(C(=O)[C@H](C)CC(C)(C)C)c(C)s1	709256559	ZXJNQGHSCZAIMJ-SECBINFHSA-N	238.396	4.620	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](CCC(C)C)C1CC1	710023775	IQHUMQVGBBALJN-HIFRSBDPSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)CC2CCC2)cc1C	710193887	FJWVPRVQZIKKOY-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C12CCC(CC1)C2	710975986	COCVGVXAOPAJEM-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C[C@H](N)CC1CCCCC1)C(C)(C)C	711110721	HUBWLPQAQOBGAR-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)C[C@@H](CNC)C1CCCCCC1	711309998	CDPRDFHHNHGYRD-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1ccc(C)c(C)c1	711324879	FALAZGLGPUWUMN-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CCc1cc(N[C@@H]2C[C@@H]3CCCC[C@@H]32)ccc1C	712422670	ISWUGBAOLDRZHI-BHYGNILZSA-N	243.394	4.548	0	10	BJAE	
CC(C)NC[C@]1(CC(C)(C)C)CCC[C@H](C)C1	713310599	GSGLQWLWEZRCGO-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@H]1CCCC1(F)F	713953162	GULFITMWCSUARG-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC/C=C/C[C@H](C)c1c(F)cccc1Cl	714547601	YYTCJEVLIKFLSH-YEZKRMTDSA-N	226.722	4.939	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)c2ccc(C3CC3)s2)C1	716559043	BJBLEZROQAGJHS-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1C=CCCCCC1	718966418	OAQANLJVRVPTJY-CVEARBPZSA-N	249.442	4.824	0	10	BJAE	
CC1CCC([C@@]2(N)CCCCCC2(C)C)CC1	719206210	XQWYIUZKMBZHSF-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)CCCCC3(C)C	719250366	UTFPSQAEWMEJFG-UHFFFAOYSA-N	241.378	4.789	0	10	BJAE	
CC[C@@H](CC1CCCCC1)Nc1ccc(C)nc1	720990207	PTDMJMIAANLLFZ-HNNXBMFYSA-N	246.398	4.551	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCCC2(CC2)C1	723568137	VXOMKKKKXVJNJA-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CC(C[C@]2(N)CC[C@H]3CCCC[C@H]3C2)C1	723640408	XJYRWIFRIKXTDT-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CCCNCC(=CC1CCCC1)C1CCCCC1	1877095406	MRKHTSCPBLQOSJ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCCC1([C@H](N)CCC(CC)CC)CCC1	1900697265	ORTFQROFMOYQDM-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCCC1(C)C	1900700116	GZRGQJRJFAJQMI-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCC(CC)CC)NC	1900711657	FYQCCGYXGRLGLW-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(C(C)C)c(C[C@@H]2C=CCC2)c1	1905150938	OTDMFNJECWMBAM-CQSZACIVSA-N	214.352	4.627	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1ccccc1Cl	1905393495	VISCXWLRDXZXGG-SMDDNHRTSA-N	240.774	4.590	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCn1ccc2ccc(Cl)cc21	1908589559	KLOWHQVRHSRHBW-YPMHNXCESA-N	247.769	4.731	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(SC)cc1	1911798705	XKTYQNSRJSVJSA-LBPRGKRZSA-N	220.381	4.868	0	10	BJAE	
C[C@H]1C[C@@H](N[C@@H]2CCCC23CCC3)CC(C)(C)C1	1921512199	ATVAKRBMYXIVJB-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CCC1(C[C@H](NC)[C@H]2CCCC23CCC3)CCC1	1921595647	QKSIDNNMBUXXNW-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(=O)[C@@H](C)C1CCCC1)c1ccccc1	1924101944	WCRHWWCLWCRQPR-KBPBESRZSA-N	244.378	4.576	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C=CCCCC1)C1CCCC1	1925734727	AXLFQOJUNYZHSO-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCNCC1(C[C@@H]2C=CCCCC2)CCCCC1	1925801321	BQOCUAQFGYIVNL-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H](CC)C(C)C	1936212424	MAEGZLMTAZTHLU-RRFJBIMHSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@H](CCC1(C)CCCCC1)C1CC1	1940417243	VYAUEEKSYJEXRS-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)CCC1CCCC1	1940873319	BPECDSIXHGCMJH-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@]1(CNC(C)(C)C)CC=CC[C@@H]1C	1940953940	RRMRWFQPCGFXRF-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1ccc2sccc2c1	1941264530	MJMSZBXGMYNSGB-ZFWWWQNUSA-N	247.407	4.583	0	10	BJAE	
CCNCC1(CCCC(C)(C)C)CC(C)(C)C1	1941981633	HSOQPPWVBSGRMB-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)C[C@@H](CNC(C)(C)C)C1CCC1	1942093359	QBXLAZUMKMIRNE-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H](C)CCC(C)C	1942657320	DSQXAAROPLIAGT-AWEZNQCLSA-N	232.367	4.558	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(CN)CCC=CCCC1	1942657638	FPCJFAVKWIIMLB-CVEARBPZSA-N	237.431	4.524	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C(C)(C)C(C)C	1944668424	NKONKNBELDOGAY-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CC[C@H]2CC[C@H]1C2	1947115468	AUESLGJGSNRLNX-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CSc1ccc(N[C@@H]2CCC[C@H]2C(C)C)cc1	1947468720	OFTRAFOHEFXYAB-LSDHHAIUSA-N	249.423	4.645	0	10	BJAE	
CCC(CC)C[C@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948586942	PCFRHPCOMRWPJP-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1ccc(C)cc1C	1948947840	UHCBROGWYXTSJY-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C(C)(C)C2CCCC2)C1	1949506023	MOMWCHCUTPUYNR-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CC12CCCCC2	1950660076	XPIZOALZFVQXBE-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C1(CC)CCC1	1951235166	PTEDSWDBLNBUOH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1cc(C)c(Cl)s1	1960263394	YYFDOFMWKHGQHO-SCZZXKLOSA-N	245.819	4.536	0	10	BJAE	
Cc1ccc(N(C)C[C@H]2CCC(C)(C)C2)c(C)c1	1963052153	BANOYEXOQQTPFZ-HNNXBMFYSA-N	245.410	4.566	0	10	BJAE	
CC(C)CC1(CN(C)[C@H](C)c2ccccc2)CC1	1966513343	UIHUKHJQEYJYAK-OAHLLOKOSA-N	245.410	4.506	0	10	BJAE	
CCC[C@@H](N[C@@H]1C[C@@H]2CCCC[C@@H]2C1)C1CCC1	1967860723	QBSHUYVBTZOUMQ-LTIDMASMSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NC[C@H]2CCC(C)(C)C2)c(C)c1	1968254229	DAACLRDYDOKMEM-AWEZNQCLSA-N	231.383	4.542	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CC3(CCCCC3)C2)C1	1972428468	LCIKAKNZZPRBRW-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)C[C@@](C)(O)C1(C)CCCCC1	1975571750	VIAFYMSOUAZXCX-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCCCCC1(O)CC(CC(C)(C)C)C1	1987813289	RMFGBZOCURJIAR-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC[C@H]1C[C@H]1C	1989529671	SWVKRDILCRJHFN-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1(C)CCCC1	1990090150	XJPMYILYCLFXNF-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCCCC[C@](O)(CC)CCCC1CCC1	1990097428	GXSSRFHBFKMUJD-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCCCCc1ccc([C@H](O)[C@H](C)CC)s1	1991772602	RVYNWVHFUWCRRW-BXUZGUMPSA-N	240.412	4.560	0	10	BJAE	
CCC[C@@H]1CCCCN(CC(C)(C)C(C)C)C1	1995756771	NPIBMZZNUUHDMJ-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
C[C@H](CN[C@H](C)C1(C)CCCCC1)C(C)(C)C	1995990021	DFVPLMBUCURUNB-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1c(Cl)cccc1NC1[C@H]2CCC[C@H]1CC2	1997557345	CHIIASBHWKWFKE-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C[C@@H](C)CCC	1998029369	FCBFGSYLLDXCJT-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H]1CC[C@]1(N)CCC1CCCCC1	1998748477	JGYOQCTXOJPFEN-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)C1CCCCC1	1999983989	SBKQTNOVKBQFRR-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)C[C@@H]1CCC=CCCC1	1999994907	ZMYXVDVHMGBTPU-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](O)C(C)(C)C(C)(C)C)C1	2000025510	VTTCFXUMABIUKF-CHWSQXEVSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H]1CCC12CCC2	2001843146	DATNKNZETOAGOD-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@@H](C)NCC(CC)CC)CC1	2002923356	GHLYCAIPIUPRPU-IUDNXUCKSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCN[C@H](C)[C@@H]1CCCC(C)(C)C1	2003014115	KSWXSIIOXWVIDG-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@H]1CC[C@H](C)CC1	2003104185	RRTBHZPMLJFXAP-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)C2CCCCCCC2)C1	2003167867	POMMRFJRWYMKQG-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H](CCC1CCC2(CC1)CC2)NCC	2003212716	YXZPLESLTNMQHG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CCCC2(CC2)C1)C(C)(C)C	2003274888	HLJDQKHJCFWKGM-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H](C)C1CCCC1	2004233522	YBUGPGAJTQQIMA-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC(C)C)C1CCC(C)(CC)CC1	2004337211	OYADHPPWROMEQI-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@]1(CNC)CCCCC12CC2	2005566602	XJXYDLPSYPTWRB-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CC1=C(C)[C@@H](N)[C@H](CCCCCC(C)C)CC1	2006903361	YZABVDFVLLPXHP-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(CC)[C@H](N)C1(C)CCC(C)(C)CC1	2007698874	VGQFBRWPXNFAJC-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
CC=CCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O	2009592062	JTQHHRGMSNHSTN-RBSFLKMASA-N	238.415	4.556	0	10	BJAE	
CCCCC1CC(N)([C@H]2CCC[C@H](CC)C2)C1	2009788843	FJWPVJDJCQDTRS-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](N)CC1=CC[C@@H](C(C)(C)C)CC1	2010728791	IVPNVTRZGFDSHF-CFVMTHIKSA-N	237.431	4.523	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)c2cc(C)sc2C)CC1	2010730058	USJBRODFSJOZIX-SWLSCSKDSA-N	249.423	4.501	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)[C@@H]1CCC1(C)C	2014940502	WVYGSNOLYHOAGR-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](O)C1(C)CCCCCCC1	2015278517	OUTRKMGFVXZXMQ-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(NC[C@@H]2CC23CCC3)cc(C)c1Cl	2015536354	BOZDHOYNEPVCPJ-LBPRGKRZSA-N	249.785	4.559	0	10	BJAE	
CCCC(CCC)[C@H](O)CC1(CCC)CCC1	2015636025	SFAJIPNOXUGCSO-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3C[C@@H]2C3)c2sccc2c1	2015654247	QJPVAHQPXZWWSM-KGYLQXTDSA-N	243.375	4.502	0	10	BJAE	
CC1(C[C@@H](N)C2(C(C)(C)C)CCC2)CCCC1	2017132471	FCUJWYVRCWRDMA-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CC[C@H](N)C(C)(C)C)CC1	2017732619	CQHWTGCHBRARJD-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@]2(C)CC2(C)C)CC1	2017770321	URYLZWBHXGFTNM-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C(=O)C[C@H]1CC[C@H](C)CC1)C(C)C	2017775555	DBKAFDRRYZBCIX-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)C1CC2(CC2)C1	2018129500	CWGHSMHIIFROSX-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@H]2CCCCC[C@H]2NCC)CC1	2018987304	JFQSHCRLZVKCSO-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@@H](C)C1CC(C)(C)C1	2019420923	JPXSRZIMJWUTEZ-KGLIPLIRSA-N	239.447	4.568	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C(CCC)CCC	2020970015	USVRHKMFWACIRY-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCN(C[C@H](C)C(C)(C)C)[C@@H]1CCCC1(C)C	2022054141	MHQPTABDINGJCE-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC(=O)C[C@@H]1C[C@@H]1C1CCCCCC1	2022553706	IEVDOHJWRBXFHQ-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC(=O)C[C@H]1C[C@H]1C1CCCCC1	2023319134	LXEGWLOVJOCQHP-HOCLYGCPSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1=CCCCCC1	2023338308	DVDAAIOHNNFYCL-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
C[C@H](CC1(C)CCCCC1)[C@H]1CC[C@H](N)CC1	2023550893	RJTFNJYFLATHCV-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](N)CCC1CC(C)(C)CC(C)(C)C1	2024100972	HFBAPYMCOPSPGN-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H]1C=CCCC1	2026167291	QGGTYDHSGFNRKA-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1C[C@@H](CCCC2(C)CC2)Nc2ccccc21	2027836030	HBDMATGTZLZZDD-ZIAGYGMSSA-N	243.394	4.945	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@]1(C2CC2)CCCCCN1	2027856323	XMBZCPZYPYLFMB-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CC(=C1CCC(C(C)(C)C)CC1)[C@@H]1CCCNC1	2028116525	ZQMUVNIQAGIFPJ-AAFJCEBUSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CCCC2CCC2)cc1C	2028495419	MRFSROISUSELQA-KRWDZBQOSA-N	246.394	4.616	0	10	BJAE	
N[C@H](CCCCCC1CC1)C12CCC(CC1)CC2	2028625000	FISBSQICSMXOMS-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
c1cc2cc(OCCCCCC3CC3)ccc2[nH]1	2028636879	MJDZOUCAZBETSD-UHFFFAOYSA-N	243.350	4.517	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2C[C@@H]3CCC[C@H]32)CC1	2028772820	VACKMBZVLYEMDR-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1C[C@H]2CCCC[C@H]21)C1CC1	2028786032	IFIQMYFTULGHOV-BPLDGKMQSA-N	248.410	4.598	0	10	BJAE	
Fc1ccc2c(ccn2CC2CCC=CCC2)c1	2028870352	PZRDNQRAERCILD-UHFFFAOYSA-N	243.325	4.527	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1ccccc1C1CCC1	2029069817	NQQIMCVPNGKBRY-QWHCGFSZSA-N	244.378	4.819	0	10	BJAE	
O[C@@H](CCC1CCC1)c1ccccc1C1CCC1	2029078531	OWSUFXACFUWONI-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CCC[C@@H](Nc1ccc(C2(C)CC2)cc1)C1CC1	2032245028	IJWJRLIYUZNYSP-MRXNPFEDSA-N	243.394	4.729	0	10	BJAE	
C1CCCC(CNC2(C3CCCC3)CCC2)CC1	2033049295	WIQNQWYAFIBUKW-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(CCN[C@@H]2CC[C@H]3CCC[C@H]32)CCCCC1	2033212838	QBHUMVOOWDAPJE-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CNC2(CCCC2)[C@@H]1C1CCCCCCC1	2033527504	MRXMWMJAGVQVDN-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)c1ccc(C(C)C)cc1	2036374937	LXMSZOJRFCEJAD-PBHICJAKSA-N	248.410	4.700	0	10	BJAE	
CC1CCC([C@@H](N)[C@H]2CCC3(CCCC3)C2)CC1	2037595101	UPYRVHKUSYLLNS-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)[C@@H]1CCC2(CCCC2)C1)C1CCCC1	2037683701	UVFSUGMKGLBVAM-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@H](N)[C@H]2CCC[C@H](C)CC2)cc1C	2039363358	PDSGDPCGAZDGHP-YLQAJVPDSA-N	245.410	4.520	0	10	BJAE	
Cc1ccc([C@H](O)[C@H]2CCCC(C)(C)CC2)cc1	2039387152	VKAHCVBXFZGTSC-GOEBONIOSA-N	246.394	4.635	0	10	BJAE	
CCCNCC1(C2CCC(CC)CC2)CC=CC1	2042096102	IKLIKTSJSNXAAI-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC1(C)C)[C@@H]1C=CCCC1	2043187751	ODTOHTNIKNXBSE-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@@H]2CCC=CCCC2)cc1	2045304615	HHFQRBMXPXMCFK-WBVHZDCISA-N	243.394	4.521	0	10	BJAE	
C[C@@H]1CCC(C)(C)CN1C[C@@H]1CCC=CCCC1	2045308336	TUPFKTPSAKFUJW-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CCN[C@@H](CC1CCC1)C[C@H]1CCC=CCCC1	2045323927	QKXWGNSHCPMKMN-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
N[C@H](C[C@H]1CC12CCCCC2)C1CCCCCC1	2047015667	KJOUTNCETBSHHB-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H]2CC[C@@H]3C[C@H]3C2)cc1	2047349735	OHMDXJBSFSNTSO-PWXKEOIMSA-N	244.378	4.768	0	10	BJAE	
CCC1CCC([C@](C)(N)C2=CCCCCC2)CC1	2049419101	WTAKDZWXKCJHTF-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CCCC1CCC([C@H](NCC)C2CC=CC2)CC1	2053666880	KDPOAZJBUSQCLP-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@@H](NCC2CCCCCCC2)CCC1	2055552590	QMOOAXMBCSBLKW-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@@H]1CCCC1(C)C	2056878866	NYAZIODEPLIRBA-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C1CC(C2CCC2)C1	2057489819	ZBFOTXSCHFMMDK-MYBQVCMBSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CC(N)(CC2[C@H]3CCCCC[C@H]23)C1	2058834992	JJJCIMBUXJDOMI-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@@]1(CCC2(C)CC2)CCCC12CC2	2059177458	JQGQAOBVZQCCNF-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@](C)(O)c1ccc(CCC)cc1	2059223866	TVBUCPZUFYVQMD-QGZVFWFLSA-N	246.394	4.593	0	10	BJAE	
C/C=C/CCCC[C@H](NCC)c1ccccc1C	2059247781	VEJXVTMPOULJED-YXMMZVCTSA-N	245.410	4.782	0	10	BJAE	
CCCC1CC(N[C@H](C)c2cc(C)ccc2C)C1	2059391746	HEPXAUXHZIWZKL-QQFBHYJXSA-N	245.410	4.533	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C)CC1)C1(CC)CCC1	2060928547	FUOIYGFXILULGF-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1=CC[C@@H](C(C)(C)C)CC1)C1CCCC1	2061096008	RBQAIUDNAOAHEH-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC1CCC([C@@](C)(N)CC[C@@]23CCC[C@H]2C3)CC1	2061601493	HTRZVVOFVYKXPX-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CCCC1(NC[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063470876	GVJGQSNGPCQCRB-PHZGNYQRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C2CC3(C2)CC(C)(C)C3)C1	2063819029	XYZLDPNINHAJQF-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC23CCC(CC2)C3)C1	2065285784	JMVQKEUDWMAHFT-IDSHBHDBSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1cccc([C@@](C)(N)C2(C)CCCC2)c1	2067529003	CNOFDTHIHOALRG-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@](C)(N)[C@@H]2CCC2(C)C)CC1	2068269267	JVYHCDQNODBFDV-UNEWFSDZSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1C[C@H](C[C@H]2CC23CCC3)c2ccccc2N1	2069171403	MPEQJKBKYJQMKK-MCIONIFRSA-N	241.378	4.555	0	10	BJAE	
C1CCC(CCCN[C@H]2CC[C@@H]2C2CCC2)CC1	2071788283	UDKUYQXGLHLMMY-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(Cn2ccc3cc(F)ccc32)CCC1	2071925911	JWFVQZPRWNQKJJ-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H](C)c1ccccc1	2073340064	JVNUFFKWFCLIBG-NVXWUHKLSA-N	247.426	4.868	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@@]23CCCC[C@H]2C3)CC1	2074090748	LDINLEBSIBVWSP-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H]2C(C)=CCC[C@@H]2C)CC1	2074638026	AQCAULQFSBGLDZ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CCC1CC1)N(C)[C@@H]1CCC12CCCCC2	2075007216	UHBPDGAHAKQPIS-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H]2C[C@@H]2C(C)C)cc1	2079486892	PEKZHAYFCHCLDL-HZPDHXFCSA-N	244.378	4.504	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2C[C@@H]2C2CCCC2)CCC1	2079488134	TYBOVPNXWMSOGT-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CNc1ccc2ccccc2c1	2079496361	JIDCVXKWSVORJM-WBVHZDCISA-N	239.362	4.544	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2081117301	CEJMYTSLBSNEGK-JZAWBGDQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)C1	2082988900	XKWWFTWNOCRYAI-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C=C2CCC[C@H]2CN)CC(C)(C)C1	2082991548	RIMPGKKJGRWZBS-HNNXBMFYSA-N	249.442	4.524	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1cccc(C(C)(C)C)c1	2083548995	GFNPRYSBHWIILN-UHFFFAOYSA-N	246.394	4.849	0	10	BJAE	
F[C@H]1CC[C@@H](CC/C=C/c2ccccc2)C1	2210661947	HMKWDYBPAXOZGN-JGNQBTRVSA-N	218.315	4.618	0	10	BJAE	
CC(C)CCCC(=O)CC1(C)CC(C)(C)C1	2211653760	FDXLHVOPFJVUEQ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CC)CCC(C)(C)C	2212598226	UGWUZCQPKHQJGS-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CC1=CCCC[C@@]1(N)CCCCCCC1CC1	2213576429	PNMGPUWDWRNHHP-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CCC[C@@H]1NCCCCCCC1CC1	2213582195	FRGYLFLEKXPYBL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
c1cc(OCCCCC2CC2)c2ccsc2c1	2214585192	UHTUKORAKOJJCU-UHFFFAOYSA-N	246.375	4.860	0	10	BJAE	
CC[C@@H]1C[C@@H]1Cn1c(C)cc2cc(Cl)ccc21	2214991518	FSPMDCSXXFUSGA-DGCLKSJQSA-N	247.769	4.649	0	10	BJAE	
CC(C)C[C@@H](C)NCCCCCCCC1CC1	2216882882	DIDYEGBROIGDOU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](N)(CCCCCCCC1CC1)C(C)C	2216884273	UCBGJGRNCYHTEI-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218333876	RWYCWWVVVTVWNF-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
N[C@@H]1CCCCC[C@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218367659	SEBADABXJFICRF-JZAWBGDQSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](C/C=C/c1ccccc1)NC	2219080472	HZOJALAFJXABMD-ONOODXEBSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)c1ccccc1C(C)C	2220880244	RITRUWQIOYWPRH-CKEIUWERSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C2(C)CC3(CCC3)C2)C1	2221006202	KJAJHHPRZAIWIF-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@]1(C)CC=C(C)CC1	2221618082	FRTZLMXGNUHHJR-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2CCC=CCC2)CC1	2221644357	SAAJGJXYTBILBT-KRWDZBQOSA-N	246.394	4.829	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2CCC[C@@H](C)C2)CC1	2221645018	WAWZPVWMLDQANF-INMHGKMJSA-N	248.410	4.908	0	10	BJAE	
CC[C@H](C)NCC1([C@H]2CCC3(CCCC3)C2)CC1	2223574184	ULDSKAMRLACOHT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]([C@H](C)c1ccc(C)cc1)C(C)(C)C	2223963661	KXWUEFIPBPWBLR-GDBMZVCRSA-N	247.426	4.513	0	10	BJAE	
CCCCCNCC[C@@H](C)CCCC(C)C	2244846685	GAMXOJNIEBIOMO-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@](C)(CN)CC[C@@H]1CCC[C@@H](C)C1	2246658623	CDOBHGOZEPWXBY-PMPSAXMXSA-N	239.447	4.748	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC1CC2(CCCC2)C1	2246787678	NYKAFVFAHJPFCV-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H]1CCC12CCC2	2247302011	APTDPMSWBFJOMV-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CC[C@@](O)(CC[C@@H]1CCCC12CC2)C(C)(C)C	2247617223	QZPNKLNFNWEQQG-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@H](N)c1cc(C)c2sccc2c1	2248562279	CCFRLCPSTJYFMH-AWEZNQCLSA-N	247.407	4.646	0	10	BJAE	
CCC(CC)N(CC)CCCCC[C@H]1C[C@H]1C	2248840725	LVAMHPQRVCOSCZ-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCN(CCCCC[C@@H]1C[C@H]1C)C(C)(C)C	2248844916	OUBVRPCZOUVUJE-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CC1(C)CC(C(=O)c2ccc(C3CCC3)s2)C1	2250276950	DSVYLLWPIYZZFL-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1(C)CCCCC1)NC	2250352304	KXXUULTYWUPRHE-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@]12CCC[C@@H]1CC2	2251142570	VDWYIUCZTAQIEJ-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCCCCN(C)[C@H]1CC(C)(C)CCC1(C)C	2251706315	CGTCXQDVBVBNHD-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CC1CC2(C1)CC(NC1CCCCCCCC1)C2	2254142277	DAZMSMDSMWUSQZ-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@H]1CCC12CCC2	2254978155	PDOFTJZLTUNOCJ-LZWOXQAQSA-N	246.394	4.518	0	10	BJAE	
OC1(CC2=CCCCC2)CC2(CCCCCC2)C1	2255048860	GJFUHUDAPSQBGF-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC[C@H]2CCCC23CC3)CC1	2255236043	MZVVCFQLPUEEBY-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC[C@H]2CCCC23CC3)C1	2255314314	AATQBCBLQHDLBX-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCCC(C)(C)NCc1ccc(CCC)cc1	2256293819	JDZPYYSHPINBEJ-UHFFFAOYSA-N	247.426	4.698	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CCCC[C@@H]1C[C@H]1C)C2	2259583388	NEGQKRJTQQLTBE-NECPAEIQSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@]23CCC[C@@H]2CC3)CC1	2260573916	KBEVDNUAZRUNSW-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
c1cc(CC2CC2)cc(CC2CC(=C3CC3)C2)c1	2260906882	KKFPEBSDJMKWCY-UHFFFAOYSA-N	238.374	4.682	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CCCCC[C@@H]1C[C@@H]1C	2298507116	YDLCZQKXMJCJKJ-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@](C)(N)[C@@H]1CCC[C@H](C)C1	2300680033	ZEMMLCJNKUPPIH-IMJJTQAJSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCC[C@H]1C(C)C	2300703664	IXBOGPDYVMNXTJ-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CCC(C)=CC[C@H](NC)C1CCC(CC)CC1	2300875013	QLUQHRLLXOJJPS-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](N)C1CCC(C(C)C)CC1	2300882041	SQBHZFMXKQPMIW-UYSNPLJNSA-N	237.431	4.523	0	10	BJAE	
CC1=C(C)[C@](O)(CC2CCCCCC2)CCC1	2301134909	DOOYZAZEIYZFMW-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CC2CCCCCC2)C1	2301142108	GMXSZLZESVZHCY-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC(N)(CC2CCCCCC2)CC1	2301143132	QIKRKGBYISUNLG-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC1([C@H](N)CC2CCCCCC2)CCCCC1	2301143938	YOKFIEVGEZRVSR-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CC[C@H](CC2CCCCCC2)C[C@@H]1N	2301147164	GXNLHSGUOYLQFV-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CN(C[C@@H]1C=CCCCC1)c1ccccc1Cl	2301370248	ZMWBUWAQWUAFPV-CYBMUJFWSA-N	249.785	4.523	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@@H](C)[C@@H](C)C(C)C	2301686550	WBDSRXIJBYZGDU-GJZGRUSLSA-N	241.463	4.717	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1CC=CCC1	2302357402	YDTJRRFKNNUQET-OAHLLOKOSA-N	232.367	4.583	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCCCCC[C@@H]2N)C1	2302751822	XOEJMRPVBWYZSK-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CCCCCCC2=O)C1	2302762609	DULBSBKOICIGRQ-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)C[C@H]1CCC(C)(C)C1	2302876780	XZMLFHOZKRDERO-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@@H](C)Nc1cc(F)cc(CC)c1	2304016315	GHADVDZPLUGDBH-GFCCVEGCSA-N	237.362	4.769	0	10	BJAE	
CCC[C@@H](CC)CC1(CNCC)CCCCC1	2307763849	QITZFVPTVFEPFY-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@H](C)CC(C)C	2307907103	BAOQUZDHLCQIAA-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCC1	2311515668	OPLHUOCZIZBLNW-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@@]23CCC[C@@H]2CC3)CC1	2313290531	DBBNPKKBILNRFK-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313353346	MKCQHLSVZYAVBK-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@@H]1CCC[C@H](CC(C)C)C1)C1CC1	2315267168	WXVCARYUMANJOG-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cc(F)ccc2C(C)C)C1	2317914236	ABOIGVWTUQUQML-JSGCOSHPSA-N	249.373	4.940	0	10	BJAE	
OC(CCC1=CCCCC1)CCC1=CCCCC1	2317962790	OVWGYUAHJMBIBO-UHFFFAOYSA-N	248.410	4.909	0	10	BJAE	
CC1CCC([C@H](N)CCCC2=CCCCC2)CC1	2318559666	BSEGWUXLZZIWDA-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CC(C)CC1([C@@H](N)CCCC2=CCCCC2)CC1	2318592243	GWCXUEMJWHAEAC-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C[C@@H]1CC=CCC1	2318878280	OIGYZDSZCQRUPK-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@@H](N)c2ccccc2)C1	2319123939	NUCWABVMJAPJFA-GOEBONIOSA-N	245.410	4.683	0	10	BJAE	
CCNC[C@@]1(C[C@@H]2CCC(C)(C)C2)C=CCCC1	2319288976	NVSTUFWBDGXAPA-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
O=C(C[C@@H]1CC[C@H]1C1CC1)C[C@@H]1C=CCCCC1	2319578619	KDXFUIZZHSDQGQ-KMFMINBZSA-N	246.394	4.518	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC(C)=C(C)C1)[C@H]1CC1(C)C	2320336241	FREOHUGQVNCXFP-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1C	2320396788	JVSHGAKTBKSHFX-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H](C)C2CCCCC2)CC1	2320414807	UWXYBZMCUXJCAA-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C1CCC(CCCN[C@@H](CC2CC2)C2CC2)CC1	2320513178	HYJFEQQEXZLIBU-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)CCC=CCCC2)C1	2321639825	OSVPYVJYQXCPQL-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCCNCC[C@H](C)c1cc(C)ccc1C(C)C	2327792117	YRFJUZPHSDDRFG-HNNXBMFYSA-N	247.426	4.612	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)c1c(C)cc(C)cc1C	35547767	GEHLPDQBYIHCGF-GUYCJALGSA-N	247.426	4.699	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCCC[C@@H]2C)cc1C	36664793	IICZCCGWBLYHJF-YSVLISHTSA-N	245.410	4.533	0	10	BJAE	
CC[C@H](C)CNc1ccc([C@H](C)CC)cc1	36953309	KBKPKRNXRYIKOL-QWHCGFSZSA-N	219.372	4.658	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1)C1CCCCC1	37202476	XWRVZPWHYBKHMZ-NSHDSACASA-N	237.774	4.721	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H](C)C1CCCCC1	37212658	MCJWSCGTFNNGKJ-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](C)NCCCCCCC(C)C	37239454	BKPOPNBWIHWKPQ-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CC(C)c1sc(-c2ccccc2)cc1[C@@H](C)N	77098266	VREGOGZPUUDCCZ-LLVKDONJSA-N	245.391	4.558	0	10	BJAE	
CCCN[C@H](C)CCCc1ccc(C(C)C)cc1	80393639	QGRDEDYBDZORFY-OAHLLOKOSA-N	247.426	4.521	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1ccc(C(C)(C)C)cc1	87175961	MZSGLLOBNTXGHN-OAHLLOKOSA-N	248.410	4.844	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC1(C)C)C1CCCCC1	94308502	JKJFJHQIVBELPA-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)cc(C23CC4CC(CC(C4)C2)C3)c1	96124701	QVROSZXSMHWOAF-UHFFFAOYSA-N	240.390	4.771	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](O)c1ccccc1	109994264	BEJSMEPNYRNEPI-GDBMZVCRSA-N	234.383	4.717	0	10	BJAE	
CCCCC[C@@](C)(O)c1ccc(C2CCC2)cc1	132923432	OQJVZBCSVCIUKJ-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
CCCC[C@H](NCCC1CCC1)c1ccccc1	133948135	NTZBKXYWERUDKF-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
O[C@H](CC1CCCCC1)C1CCCCCCC1	158941647	LUVOAYAZZHPHKH-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@H](C)c1cccc(C)c1	160139697	YLLFMNIPIBGBGI-VYDXJSESSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H](C)C(C)(C)C)CC1	162677503	OUFNTIKWRADCFQ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1CCC(C)CC1)[C@@H](C)CCC	167922387	UDHIQZKNTCWHAD-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC(=O)c1cccc(C2CCC2)c1	168858982	BGHVHYRVXXYNBL-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCC[C@H](CC)CC1	212523896	BUCAOJSJNLMIRQ-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](CC)CC2CC2)CC1	226517988	OHTITQHZKSEITL-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H](C)CCC)CC1	226529450	BUSHYSOWCFCXGM-RBSFLKMASA-N	225.420	4.514	0	10	BJAE	
CCc1ccccc1N[C@H]1CCC[C@@H](C(C)C)C1	230986270	QGTZTUPWDFLJNG-CVEARBPZSA-N	245.410	4.876	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCC[C@H](C(C)C)C1	230986304	IJWKTRKGXZZMBM-ZFWWWQNUSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H](C)c1ccc(O[C@H]2C=CCCC2)cc1	232357776	VUTQNZXXDCIIQH-HIFRSBDPSA-N	230.351	4.688	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H]1CNc2ccc(F)cc21	232785795	FLRCOLYENKLQSE-KBPBESRZSA-N	247.357	4.551	0	10	BJAE	
Cc1ccc2c(c1)[C@@H](C1CCC(C)(C)CC1)CN2	235993552	QFBPUQMKVIVZAT-OAHLLOKOSA-N	243.394	4.721	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H](C)CCC(C)C	252368757	WPSZBVYMJPTQTQ-ZNMIVQPWSA-N	227.436	4.616	0	10	BJAE	
CC[C@]1(C)Nc2cccc(Cl)c2[C@@H](C)[C@@H]1C	257987064	BDQCOPRYVPDYIJ-BHDSKKPTSA-N	237.774	4.674	0	10	BJAE	
CC(C)SCc1cc2cc(F)ccc2s1	258101621	SBEIEYFCXYKJQU-UHFFFAOYSA-N	240.368	4.682	0	10	BJAE	
CCC[C@@H](C)[C@H](CNC(C)C)c1ccccc1C	300471482	WXDXFWVDLGSMLC-PBHICJAKSA-N	247.426	4.513	0	10	BJAE	
CCC[C@@H](CCC1CCCCC1)CNC1CC1	302249082	JXJBQPMEQDUXLA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](C)(CCC1CCCC1)CNCC(C)C	302275350	SKFRCZNIHFQSBL-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](C)(CNC(C)C)C(C)C	302379780	PMEMTJHWLOVPKZ-HZPDHXFCSA-N	241.463	4.719	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCC(C)(C)C)cc1	304445452	WIFCHMQMWOJKGO-ZDUSSCGKSA-N	219.372	4.622	0	10	BJAE	
CC(C)NC[C@@H](CCC1CCCCC1)C(C)C	305920352	HRZWXRYMSRMGLW-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCc1cc2cc(Cl)c(SC)cc2s1	306573900	BPBZZPYILNBZJB-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Fc1cc(C(F)F)cc2cc(Cl)sc12	306913913	QENZOVUJUOCBGA-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCCN[C@@H]([C@@H](CC)CC(C)C)[C@H](C)CCC	308105922	VMYWXYFVFFNHMC-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NCC1(C)CCCCC1	308710081	MQHHTWJBDNEASX-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H]1C[C@H](C)c2ccccc2N1	309264491	DZPXSEHBLCFYII-STQMWFEESA-N	217.356	4.555	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H](C)C1CCCCC1	309487023	GWAFCRUQVUFSHB-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](CC1(CO)CCCCC1)C1CCCCC1	310371411	XWONEVTXOAPZQH-AWEZNQCLSA-N	238.415	4.536	0	10	BJAE	
CCCNC[C@@H](C)CC[C@@H](C)C1CCCCC1	310440817	WKQBELRYXGXXGQ-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCC1([C@H](O)c2cccc(C3CCC3)c2)CC1	310622277	AVGOTPAPWMGJRC-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCC[C@@H](N[C@@H](CC)C1CCC1)C1CCCC1	313446311	RAPVGXCQLOTWIW-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H](C)[C@@H](C)CC)CC1	319904140	XQXNVIWOGADCIF-HESLUPGFSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1Cl)C1CCC1	322412804	WQRDSGPIDJJAIP-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)C[C@@H](C)CC(C)C	379637405	RAKLDKKLIRMCCA-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CCCCF)C[C@H](C)CC(C)(C)C	380011761	KYCANUJDIKJZTG-KBPBESRZSA-N	245.426	4.567	0	10	BJAE	
CC(C)CCCCC[C@@H](C)C[C@@H]1CCCCN1	383158852	PSEMXDUUMKIXNV-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CC[C@H](C)C1CCCCC1)C(C)(C)C	384178193	YLWRSOKOTGRULU-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1-c1cc(Cl)ccc1O	384439016	FPCLVEXOINRSJO-UHFFFAOYSA-N	246.737	4.665	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@H]1CCCC(C)(C)C	384533175	VGBUXBOKWJMAJW-HIFRSBDPSA-N	245.410	4.876	0	10	BJAE	
Cc1cc(Cl)ccc1NCCC1=CCCCC1	385114662	DRINSRLXQYZXHW-UHFFFAOYSA-N	249.785	4.951	0	10	BJAE	
C[C@@H](Nc1ccc(C(F)F)cc1)c1ccccc1	386173550	NJRDHTZDTKHNTA-LLVKDONJSA-N	247.288	4.797	0	10	BJAE	
CC[C@@H](Nc1cccc(F)c1C)C1CCCC1	387646371	YUBSDNIMWSOHOT-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
CCc1csc2c(C(F)F)ccc(F)c12	396212327	LELCUUNLTNYRIM-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1ccc2sc(F)c(C(F)(F)F)c2c1	396291978	DMLRXGWKXIBGBC-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
COc1cc2c(Cl)cc(C(F)F)cc2s1	396294411	RQGKJOWCBGHTQK-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C1CCC1)C(CC)CC	398645734	CKDVXSUWJYQFMV-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@H]1CCC[C@@H](C)C1	402132779	GFSUEAOOZRTYGM-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@@H]1C[C@H]2C=C[C@H]1CC2	402223269	UBYYMWAAPUHTAI-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1ccc2c(c1)CCCC2	404664012	XVVGZTTXVHDUBM-SUMWQHHRSA-N	243.394	4.556	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC(C)(C)C2CC2)C1	405744559	BABUSGUUNRLMHW-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)c1ccccc1C	405859388	PDLWOZRCVWGFNB-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
Cc1cccc([C@@H](C)Sc2cccs2)c1	463258510	CATFFFQUSOMBQZ-LLVKDONJSA-N	234.389	4.910	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1[C@@H](O)c1cccc(C(C)C)c1	688983514	OONNFGWZXUZVLT-ZACQAIPSSA-N	246.394	4.526	0	10	BJAE	
CCSc1cccc(N[C@@H]2CCC[C@@H]2CC)c1	689700984	DTVRVHWACOENGL-SWLSCSKDSA-N	249.423	4.789	0	10	BJAE	
CCSc1cccc(NC2CC(C(C)C)C2)c1	689703096	SPBLWUWCUQZJMH-UHFFFAOYSA-N	249.423	4.645	0	10	BJAE	
N[C@@H](C[C@H]1CC2CCC1CC2)C1CCCCCC1	691778527	QDGXJSOVBPMFFR-MMADZMRASA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)[C@H](C)C2CCC2)cc1	692675356	UOAFXBQRSJQZPO-AHIWAGSCSA-N	245.410	4.636	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1CCC12CCCCC2	693805009	MKHYXVXELSMIKT-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC(C)(CC(=O)CCC1CCCC1)CC(F)F	694654780	BUKCOGXVUATHEJ-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1cccc(Cl)c1	696652848	SAVOJSLCKCIDLL-ZDUSSCGKSA-N	239.790	4.556	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccc(C)c(F)c1	696672527	MHRGWNJAEMGTKD-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CC[C@H]1CC[C@@](CCC(C)(C)CC)(CNC)C1	696802264	JWDMUTZANRVJDE-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC([C@H](O)CCC=C(C)C)CC1	697559440	CDUVFBONTKZYQA-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
CC(C)=CCCC1(O)CCC2(CCCC2)CC1	697596191	ALOMJFRFRKQGAU-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](NC)c1cc2ccccc2o1	701127025	BSNGBSQNVUITMT-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@]1(N)CCCC12CCCCC2	704462957	VLMAVRWEOIYBFP-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@](C)(N)c1cc2ccccc2s1	704505382	DGIDVFGTJIFWKR-NHYWBVRUSA-N	247.407	4.511	0	10	BJAE	
CC(C)CC[C@@](N)(C1CCCCCC1)C1CC1	704836236	NXTTXAOOIIXGNL-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(c1cccc2ccsc12)C(C)(C)C	704854195	KSSBZHYBLKSERE-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CC[C@@](N)(c1cccc2ccsc12)C(C)(C)C	704854197	KSSBZHYBLKSERE-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC[C@H](C)C1)C1CCC1	705364741	QLFRMYJDMFAQPX-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1NCC[C@H]1CC=CCC1	706867299	GWDBKWPXPWXNMI-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)(C)C)[C@@H](C)C(C)(C)C	709087153	KORSNXAOMSFFJT-BFHYXJOUSA-N	241.463	4.719	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(C(C)(C)C)CCCN1	709191803	UICLJAFJYPMKLA-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCCC3(CC3)C2)CC1	709979449	PTXDYLCYHOIYEK-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)(C)C)CC(C)(C)C	710791374	AUQZAZUQXPIIFH-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C[C@H](O)c1cc(C)ccc1C)C(C)(C)C	711211728	PCWWFBQUPQLTGI-ZBFHGGJFSA-N	248.410	4.799	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCC(C)(C)CC)CC1	711276568	FKWJEMSCXSUSKP-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CCC(C)(C)CC)CNC(C)C	711277310	HDGJHVFTSIZVBJ-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C(C)C)C1CC1	713176300	VUWLKJMLJIWJGF-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CCc1cc([C@H](C)CC)ccc1O	713679857	UBQITZJOVHEGEG-FMFIFOJESA-N	230.351	4.581	0	10	BJAE	
C=C/C=C\CC[C@@H]1CC(C)(C)CC[C@@H]1CNCC	713708941	HTOIAHPEZHWVPV-ZJBFNYKTSA-N	249.442	4.561	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CCCCCC1(C)C	718591037	WCJRPCHIHRDOHD-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@@H](C)C(C)(C)C	718709425	LBMHFDMWLJGIOT-CYBMUJFWSA-N	224.388	4.764	0	10	BJAE	
CCCN[C@H](CCCC(C)(F)F)[C@H](C)CCC	718723086	RJDWMWGFOHGTQG-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CN[C@H](CC1CCCCC1)C1CCC2(CC1)CC2	829156030	NBGIHZIBZDADAN-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)NCC1(C)CCC(C)(C)CC1	1652674340	DGIULEUFPYAAEI-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C1CCC(CN2CCC[C@@H]2CC2CCCC2)CC1	1654892809	GTKVRTAQKISZID-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCCNCCC=C(C)CCC(CC)CC	1900715023	ZCLDMXQABKLGAJ-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CCC[C@@H](CC)COc1ccc(C)cc1C	1905295549	WPQBVCZVAXXAPF-CQSZACIVSA-N	220.356	4.509	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@](C)(N)CC1CCCCC1	1908553505	BBOMKIAHJAUYNQ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@](C)(N)C1(C)CCCCC1	1908570393	CIIPUTLUOBNVGJ-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc2c1ccn2CC=Cc1ccccc1	1911900239	VMROBGCODPFFCZ-UHFFFAOYSA-N	247.341	4.663	0	10	BJAE	
CC(C)(C)[C@@H](N)CCCCC=Cc1ccccc1	1911954021	FRQQPWJVVKPQQV-INIZCTEOSA-N	245.410	4.634	0	10	BJAE	
CCC[C@H](C)[C@H]1CCCCCCCC[C@@H]1O	1913398746	SETAXNDBKHIMCO-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCC1(CN[C@@H]2CCC3(CCCC3)C2)CCCC1	1916442566	OJZXBPJPPVUWOA-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C)[C@@H](N[C@@H]1CCC2(CCCC2)C1)C1CC1	1916444890	MNNANFYNJZOLRQ-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CCCc1ccc([C@](O)(CC)C[C@@H](C)CC)cc1	1919968696	CMURCEINWYZNFC-YOEHRIQHSA-N	248.410	4.673	0	10	BJAE	
CCCc1ccc([C@@](C)(O)C[C@H](C)CCC)cc1	1920027975	KNMVNGCKTUYGTG-PBHICJAKSA-N	248.410	4.673	0	10	BJAE	
CC(C)C[C@](N)(CCC(C)(C)C)c1ccccc1	1920485205	WPNFWKWZOXJSHR-QGZVFWFLSA-N	247.426	4.713	0	10	BJAE	
CC1(C)C[C@H]1CCn1ccc2cc(Cl)ccc21	1921446144	GBZQBEJZHAZKIP-GFCCVEGCSA-N	247.769	4.731	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCC12CCC2)C(C)(C)C	1921618996	HFGWRLJCTODZCH-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
Clc1cccc2c3c([nH]c12)C[C@H]1CCC[C@H]3C1	1923459206	MASMQZWIZPLFTN-UWVGGRQHSA-N	245.753	4.651	0	10	BJAE	
CCC1CCC(C2(N)C[C@H]3CCC[C@@H](C3)C2)CC1	1923475839	ICYQVUFAKHBIQL-PYBGIAKNSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@H]2C=CCCCC2)c1	1925916443	FXCNTARFBWMBGH-ZDUSSCGKSA-N	249.785	4.807	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@@H]2C=CCCCC2)CC1	1925946532	UMYFVDKQQQIAKF-MYBQVCMBSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)CC1CC(C)C1	1927027932	YONKCEXVBYEHNQ-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NCCC)[C@H](CCC)C(C)C	1936206572	HPSPJMHZMXWRRZ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CC(=O)[C@@H](CC(C)C)C(C)C	1936206942	MNFGKZOEPKPLPN-AWEZNQCLSA-N	226.404	4.700	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2(C)CCCCC2)C1	1940378509	KGDBICPUQJWJCE-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC1(CCCNCC2CCCCCCC2)CC1	1940844446	BRCUNSVKPRZRRM-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCCC[C@H](CC[C@@H]1CC1(C)C)NCCC	1940857491	XQTCLTZQIHZONB-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](O)C1(C)CCCCC1	1940875353	IPURTULMYXYRNM-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)C1CCC(N)CC1	1940978199	XJNBGFBLAZCFCV-QVOMUQBLSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H](CNC1CCCCCC1)C(C)C	1941270045	WHNHTRWIVCZQIC-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C(=O)CC1CCC=CCC1)C(C)C	1941792859	KESWUYARGHRDTG-UHFFFAOYSA-N	236.399	4.620	0	10	BJAE	
CC1CC(C)(C(=O)c2cccc3ccsc23)C1	1941981806	JUGSHVGGXSNBQX-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CC1(C)CC(C)([C@H](N)CCC2CCCCC2)C1	1941986035	RWUGHZZJFMQFAV-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C(C)(C)C(C)C	1944680563	OTDDLSZVEAOFJP-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C[C@@H]1CCC[C@H]1C	1944835257	ALDJUMRCBORHSZ-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1CC(C)(CC)C1	1948407196	LIXKLZTXPWVSED-YHNBSYBMSA-N	239.447	4.747	0	10	BJAE	
CCC1(C)CC(C(=O)CC2CCC=CCC2)C1	1948407240	MAPZOHCNDXPIRM-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)CCCCCC2(C)C)C1	1949401786	GENQBPZZJRGDNZ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](Oc2cccc3sccc23)C1	1949501667	OKISQRPLWODRRI-NSHDSACASA-N	246.375	4.859	0	10	BJAE	
CCN[C@H]1C[C@H](CCC=C(C)C)CCC1(C)C	1949660058	GSCZYHIPHBXNQC-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@]1(O)C=CCCC1(C)C	1949665826	UABQMSDUSZSAJU-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)C[C@@H](C)C(C)(C)C)CC1	1950907634	GIZUPQMGUQZTES-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
CCCCc1ccc(-c2sccc2C=O)cc1	1951263194	XNOPGSYIWPVNHN-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
C[C@H]1CC[C@@H](CNc2ccccc2C2(C)CC2)C1	1973423002	RTZCELUVBMKKSA-UONOGXRCSA-N	243.394	4.586	0	10	BJAE	
CCCC[C@@](C)(CNCCC)[C@@H](C)CCC	1978664904	SRUZCXFRWZHOJB-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CC[C@](O)(CCCC1CCC1)CCC(C)C	1986945372	YMURYXGFHXQHQE-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)CC(=O)CCC(C(C)C)C(C)C	1988305620	UANLZOJHQUBYLH-CYBMUJFWSA-N	226.404	4.700	0	10	BJAE	
CCCC[C@@H](CCC1(CC)CCC1)NCC	1988432518	GODKCLQCGVBJMG-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H]1CC=CCC1)NCC	1996613282	PSENCGBTIVRMPO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@H](NC[C@@]1(C)CC=CCC1)c1ccsc1	1997584994	ATAILAUUNKSJQT-GJZGRUSLSA-N	249.423	4.535	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)[C@@H](C)CCC(C)C	2000292623	DZOIOMPUFCEZTM-KKUMJFAQSA-N	236.399	4.620	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1CC12CCCCC2	2001258520	GBVKJIKVSWCOOS-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC1CCC([C@](C)(N)[C@@H](C)[C@H](C)CC)CC1	2002925797	NRPGRGDYGKXWPT-AKZYDZMLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)CN[C@H](C)[C@H]1CCCC(C)(C)C1	2003028755	YDXKRLZWTUXHFA-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@@H]2CCCCCCCC2=O)CC1	2003070161	IZBBWCRJPGWNRG-NRXISQOPSA-N	236.399	4.742	0	10	BJAE	
O=C1CCCCCCC[C@H]1CCC1CCCC1	2003071210	WBZBNGGATMHKAV-HNNXBMFYSA-N	236.399	4.886	0	10	BJAE	
CCC(C)(C)CC[C@@H](CC1(C)CCCC1)NC	2003183910	FCKOGHJUUPVCGC-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@H]2CC[C@@H]21	2004792930	XZBMKWXOOFASOL-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@@H]1CCCCC12CC2	2005598223	BTDLYUICMFBKNT-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC)C[C@H](CCC(C)C)C1	2006623893	MUVFIPFKEYZJTR-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@@H](C[C@@H](C)CCC)C1	2006624637	RKILJGVEYWQXEC-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@@H](NC2CCCCCCCC2)CCC1	2006923904	XGPXEGGYYJJQTB-INIZCTEOSA-N	235.415	4.578	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)CC[C@H]1CC=C(C)C	2009408452	UIWVEOBKZRSFJK-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H]1CCC(C)(C)C[C@@H]1NCC	2009618784	FLGQLKKKWNGGON-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](CC(C)(C)C1CC1)NCC	2009626729	FVOYATUEVCXHNQ-ZKKXHLJNSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC)CC1=CC[C@@H](C(C)C)CC1	2010761729	GVQJVENFXFCXSN-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](N)CC1CC(=C2CCC2)C1	2011094394	VTPYUBIKSADBKC-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CCCCCC12CC2	2011284293	DJKJQZMRQVJAHB-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CC12CCC(CC1)C2	2012821034	FMZSSBWJYSSYCC-PRLABOORSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](CC)[C@@H]1CC1(C)C	2013323432	WMVVZJXFCZNJFK-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](CC(C(C)C)C(C)C)NC	2015285569	XRQZVTOHHAEEFC-GDBMZVCRSA-N	241.463	4.575	0	10	BJAE	
CC(C)C(CC[C@H]1CC[C@H](C)CC1=O)C(C)C	2015390596	NNLKQDPARZLPQK-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC1(C(C)(C)C)CCC1	2017112745	REERGFVKPBSLRD-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(OCC2(C(C)C)CCC2)cc1C	2017125643	PXEZTAMFJUXVNE-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CCCC1([C@@H](N)CC2(C(C)C)CCC2)CCC1	2017142994	ZMQVJJAYUKCDNN-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C1([C@@H](O)C2CCCCCC2)CCC1	2017159242	UGHZWVVWLHFPLY-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC1CCC(C)(C)CC1	2017701129	FWUSFAIAPIUBRI-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(CC(=O)C2(C)CCCC2)CC1	2017773243	XXLTWEGJRFWCQK-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)C(C)(C)C(F)F	2017797186	RARMGNMJMWHJNK-VXGBXAGGSA-N	249.389	4.615	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1CC[C@@H](C)[C@H](C)C1	2018132901	YDUVLPIMZMGWRS-KLHDSHLOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCNC2(CCCCC2)C1	2018645118	IMEBQYFJBYIMSK-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@@H](C)C1CCC1	2019190435	XDCNKYQMUITSLN-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CC=C(CC)[C@@H](NC)C1(C)CCCCCCC1	2020974371	PLGWJLIEGZFFBO-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@H](C[C@H]1C[C@@H]1CCC)NCC	2022486277	MGJGWNOAIUGJOY-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(=C[C@@H](C)CC(C)(C)C)[C@H]1CC[C@@H](N)CC1	2023546861	BURHMPVVTIQSLX-YUELXQCFSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CCC[C@@H]1CC(C)(C)CC	2023997215	GABZELUWMUPMTL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CSc1cccc(N[C@H]2CC(C)(C)C2(C)C)c1	2025022321	ZEFWYJIXGPXSGY-ZDUSSCGKSA-N	249.423	4.645	0	10	BJAE	
CC(C)c1cccc([C@H](O)CC[C@@H]2CC2(C)C)c1	2027813254	USXRNDBMNLYYTE-HZPDHXFCSA-N	246.394	4.670	0	10	BJAE	
CCNC[C@@]1(CC2CCCCC2)CC=CC[C@H]1C	2027926395	NKTZGWYBMJXWQH-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)C(C)(C)C1CC1	2028105560	QNNSJTGZMQVHGU-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC(C2CCC(C(C)(C)C)CC2)=C[C@H](N)C1	2028113645	ZGGPDGCNWQZLRA-ADNDVJRGSA-N	249.442	4.523	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)c1ccc(C)c(C)c1	2029967683	VAGMARRFSFHAKT-CJNGLKHVSA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@H]1C[C@@H]2CCCC[C@@H]2C1	2034151566	YKPBKTYMQKYBEK-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)cc1C	2034260027	CQIRIVRWYSRRAS-BHYGNILZSA-N	243.394	4.684	0	10	BJAE	
CC(C)CCC[C@H](N)Cc1ccc(C(C)C)cc1	2037085159	LGYXAHPTCXXZKN-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1C1CCCCCC1	2037225269	UEVWRBVVFRZSSX-DYVFJYSZSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CC[C@H]([C@@]2(N)CCCC23CCCCC3)C1	2037584450	ONEQXIBNADLICL-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(C(=O)CC2CC3(CCC3)C2)CC1	2037977073	RLEZZYCPKABTGO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1CC(C)(CNc2ccc(C3CCC3)cc2)C1	2038889211	CEAGAENPTLPYPD-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@H]2CC[C@H](C)C2)cc1	2040138542	PFGQYIWBQSAMIM-GRDNDAEWSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CCC(C)CC2)cc1C	2040633806	SCFJGNFACHTZSW-NRAUKZCXSA-N	245.410	4.930	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)c1ccccc1CC	2040725255	DORLQIJJIAHOIU-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@]1(C)CC=CCC1	2042031960	XSWVUZGLOIGWOK-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1NC[C@]1(C)CC=CCC1	2042068636	ZNZCJADPVGIUQH-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1[C@H]2C=CC[C@H]1CC2	2042526649	QCWITAFSNYIGCJ-GRDNDAEWSA-N	241.378	4.577	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@@H]1CCC=CCCC1	2045314268	IJTMJVWJSHZVGR-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCC=CCCC2)=C[C@@H](N)C1	2045327766	YDILEKUABWHHQX-GDBMZVCRSA-N	247.426	4.587	0	10	BJAE	
C1CCCC(CCN[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2046486153	LUQSZUBQOXTEHY-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1(CCCC2(C)CC2)CCC12CCC2	2047937764	AGLVPFKUIYOWKE-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@H]1CCC12CCC2	2047943120	PAOOKGONYOCKRW-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@H]3CC[C@H]2C3)CCC1	2049670352	SUEJZGAOZNBPEZ-HLLBOEOZSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)CC1CCC2(CC1)CC2	2049857029	PLFXRDPHDXPDKV-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@]1(C)C=CCCC1	2049997271	MIPNORPLNZCJLS-DLBZAZTESA-N	244.378	4.590	0	10	BJAE	
CCN[C@H](CCC1CCC(C)CC1)c1ccco1	2050524145	BBNONWQDDMSNIM-YMAMQOFZSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@H](C)CC=C(C)C	2051402586	JUHBJALNSRBZIG-NVXWUHKLSA-N	245.410	4.720	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@@H](N)c1ccccc1C(C)(C)C	2053925238	QTZCFMSKZQXQRB-XJKCOSOUSA-N	247.426	4.666	0	10	BJAE	
CC1=C[C@@H](NC2CCC(C(C)(C)C)CC2)CCC1	2055548369	AERXAEZTQKAHCT-GPANFISMSA-N	249.442	4.680	0	10	BJAE	
CNCC1(CCCC2CCC2)CCC2(CC2)CC1	2056557446	URNDBIJMPRNZGN-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)c1ccccc1C	2056877058	WMWNAJLQQOSPGO-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@](N)(C=C1CCCCC1)C2	2056912021	UXZUVIYWGISPCB-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](N)(C=C2CCCCC2)C1	2056918932	DZBKIQQVCHBOQE-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CCC[C@H]3C[C@@H]23)C1	2057362618	ZEXKSHBUKQJRSM-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@@H](O)[C@@H](c1ccccc1)C(C)C	2059224582	CILAGEVQHBPOOS-IAGOWNOFSA-N	246.394	4.534	0	10	BJAE	
CC=CCCC[C@H](CC(C1CC1)C1CC1)NCC	2059226014	UURDUYRCBVQMGC-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@]1(CNCC)CCCC12CCC2	2059253368	PYDMNLWRVITPON-NJELEJDNSA-N	249.442	4.683	0	10	BJAE	
CCC1(CC)CCC(N)(C2=CC[C@@H](C)CC2)CC1	2060914815	VMSOSWSFVQQWEC-CQSZACIVSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C1=CC[C@@H](C)CC1	2060921759	NKGLBFQQAQDPBA-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](CC)CC1)C1(CC)CC1	2061088036	KBXSUKPIXSKMTB-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C(C)C)CC1)C1CCCC1	2061088080	KKTJTHSKWJXWSM-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@@H](NC)C1CC(C)(C)CC(C)(C)C1	2061565991	IJDVULWLPBBKJZ-OAHLLOKOSA-N	249.442	4.548	0	10	BJAE	
CCCc1ccccc1OCC[C@@]12CCC[C@H]1C2	2061596242	KXYLLDYHBKRMBY-DOTOQJQBSA-N	244.378	4.598	0	10	BJAE	
CC(C)C1CC(C[C@]2(N)CCCCCC23CC3)C1	2062009852	QJJOFTGPAPPOKP-VMBOVVBDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC1CC2(C1)CC21CCC1	2064111589	RLTFRJIRPABDKT-CBCUQQMYSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)CC23CCC(CC2)CC3)C1	2065303963	WOGJDJQMWYVZQN-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCC3=C(CCCC3)C2)C1	2065852199	NKHVOROWUNOTRF-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(N)(C1CCCC1)C1CCCC1	2065935781	OQQMLSDEXWBWGG-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](Nc1cccc(C(C)C)n1)C1CCC1	2066359926	UQXQGUDDYAQYDY-HNNXBMFYSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068778178	ICIWPIDTFGEJRB-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@@H]2CC23CCC3)CC1	2069191203	WVFFUKSMAIAPOK-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)C[C@@H]2CCC[C@H]3C[C@@H]32)CCC1	2069340374	UJPCTHNAQUBMMC-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
c1cc(N[C@H]2CC[C@H]2C2CCC2)cc(C2CC2)c1	2071792120	YPBMLCNKIOZUCT-IRXDYDNUSA-N	241.378	4.555	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)C23CCCC2CCC3)CC1	2072805571	DACCCVSMXCLDGT-ZPBWDRIISA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C2CCC(NC)CC2)CC1	2072817297	BPJRPAGNXDTXQV-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@H](N2CCC[C@@H]3CCCC[C@H]32)CCCCC1	2074810483	PORFMBWUJNQKOY-YESZJQIVSA-N	247.426	4.530	0	10	BJAE	
CCCC1CCC(CN(C2CCC2)C2CC2)CC1	2075298403	YKRNNJYEKNNIKC-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CCC3(CCCC3)C2)[C@@H]1N	2076399371	BJSOVFBWPONRJB-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2C[C@@H]3CCC[C@@H]3C2)c1	2077264835	BRTURCHTARJCNH-QDMKHBRRSA-N	241.378	4.555	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@H]2C[C@H]2C(C)C)cc1	2079850470	FPSUEIHIZUMIEB-HOTGVXAUSA-N	244.378	4.675	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2C[C@@H]2C2CCCC2)C=CCCC1	2079855349	YVHUBXNWHKPWFD-INMHGKMJSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H]1CCC=CCCC1	2081780007	OGGUIOOMCPPVPF-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
CN[C@@H](c1cc(C)cc(C)c1C)[C@@H](C)CC(C)C	2082920247	XBQFNUYCCNEHAT-WMLDXEAASA-N	247.426	4.555	0	10	BJAE	
CCCCCC[C@](C)(N)Cc1cccc(C)c1C	2082929731	IWMBFKRPQSXDFY-KRWDZBQOSA-N	247.426	4.534	0	10	BJAE	
CC1(C)C[C@H](N[C@@H]2CCCCC23CCC3)C1(C)C	2084369037	UMLJCTLLINOTGW-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)Cc1ccccc1C	2086044578	OVYVDNVGQBLHIH-YOEHRIQHSA-N	248.410	4.505	0	10	BJAE	
CCNC[C@](C)(CC)CCCCCCC1CC1	2213576501	QIBGUKVTNZDQNA-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
C[C@@H](N(C)CCCCCCC1CC1)C(C)(C)C	2213582629	JWIMQOCOYKGMKF-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCCC(C)(C)[C@H](CC[C@H]1C[C@@H]1CC)NCC	2215252978	NYIIEHFZRJRKDG-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC[C@@H]2C[C@@H]2CC)C1	2215323276	CRCXKXHNPABXBB-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@]1(O)CCC[C@@H](C(C)(C)C)C1	2216254376	ZJSMYIGWJSXATO-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
C[C@@](N)(CCCCCCCC1CC1)C1CCC1	2216865306	WYDZEIHODHUSCV-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)NC[C@@H](C)C[C@H]1CCCC(C)(C)C1	2217149052	GXYGOOGLBZRCPT-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@@H]1C[C@H]2C[C@H]2C1	2218728630	VJBJPKNRTWBMTL-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1NC1CCC(C2CC2)CC1	2218895181	RCOQAERMRFWLIY-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C1CC2(CC2)C1	2220030712	OKBHSZXKVRINAU-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC[C@@H]1CC2CCC1CC2)C1CCCCC1	2220296799	OBKUPVFPIPEYKY-MMADZMRASA-N	249.442	4.501	0	10	BJAE	
CC1CCC(CC(=O)C2(C)CC3(CCC3)C2)CC1	2221005520	SVGOALCYICJHBE-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](N[C@@H]1CC=C(C)CC1)c1ccccc1	2221668190	YEUZNXBVPKUROC-SJORKVTESA-N	243.394	4.616	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC1	2222954562	LMQBLEUMHIGZQW-SJXGUFTOSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H](C)[C@]1(CNC2CCC2)C=CCCC1	2223542452	QRGUPNICNLKCTR-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](N)(CC1(C)CC(C)C1)C1CCCC1	2246524655	MYLBNKLPQKCJAS-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@@H]1CCCCC12CC2	2246615028	QINJYAKOAHOCPS-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCCCc1ccccc1OC(F)F	2248029681	CXRRVKBJIFWKOF-NSCUHMNNSA-N	240.293	4.577	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)c2csc(C3CC3)c2)C1	2248070263	RPYABHRNCDXNHL-QWRGUYRKSA-N	248.391	4.635	0	10	BJAE	
CN[C@H](CCCCC[C@H]1C[C@H]1C)CC(C)(C)C	2248818953	GVPMDIAFRTYMKI-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)CCN(C)CCCCC[C@H]1C[C@H]1C	2248846167	YTYUSTYLJQKFFH-XHSDSOJGSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)CNc1c(C)cc(C)cc1C	2250389122	GGQRNWNSMYIHHY-OAHLLOKOSA-N	233.399	4.850	0	10	BJAE	
CNC(C)(C)[C@H](F)CC[C@H](C)CCCC(C)C	2250481060	JOPFOXFPTCYBHO-ZIAGYGMSSA-N	245.426	4.565	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC[C@H]1CN	2250531068	WPJRWKASHHKCIM-JYJNAYRXSA-N	239.447	4.604	0	10	BJAE	
CCCCC[C@H](C[C@@]12CCCC[C@H]1CC2)NC	2251162180	JSAPGRFJWHZDGY-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](N)(C[C@@]12CCC[C@@H]1CC2)C(C)(C)C	2251212917	UWPZPTHQGCKBFI-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc2ccsc2c1	2253080733	UFYMIBBIZDYSIT-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)C[C@@H]2CCCCC23CC3)C1	2253797347	YDIYKYDFOXJCJI-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@H](C[C@H]2CCCCC23CC3)NC)CC1	2253809327	FSOJSPUYLLPAOD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Fc1ccccc1OCC[C@H]1CCCCC12CC2	2253815714	WEBXKYXNSFAZTN-CYBMUJFWSA-N	248.341	4.565	0	10	BJAE	
CC1=C[C@](N)(CC[C@H]2CCCCC23CC3)CCC1	2253840996	UXSKCJJUJGEEPJ-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC(C)(CC[C@H](N)C[C@H]1CCCC12CC2)C1CC1	2255233155	IDBGRTPAIPACSO-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CCCCN(CC[C@H]1CCCC12CC2)C1CCC1	2255234329	PPEGWOPZAJYMIS-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC([C@@](C)(N)CC[C@H]2CCCC23CC3)C1	2255334099	YKOHICPLNWALQI-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(NCCCCC[C@H]2C[C@@H]2C)c1	2257324511	OBRXCFMSZBMAGW-HOTGVXAUSA-N	245.410	4.932	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cccc2ccccc12	2259444725	QQSQIRIBPOCNHS-GUYCJALGSA-N	241.378	4.666	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@]12CCCC[C@@H]1CC2	2260487187	LKBASNCPLUYBLB-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@H](N)C[C@]23CCCC[C@@H]2CC3)CCCC1	2260611813	WHMHCQVMIPFWKB-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CNCC1(C[C@]23CCC[C@@H]2CC3)CCCCCC1	2260651795	NFKIRXCFAQDINA-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
C[C@H](C[C@@H]1CCCCN1)C[C@@]12CCCC[C@H]1CC2	2260652432	RKHOHUTWTGFBOU-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CC1CC(CCC(=O)C[C@H](C)c2ccccc2)C1	2261506907	DNQQNZHEYJAMGZ-SLTAFYQDSA-N	244.378	4.576	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H](C)CC1CCC1	2298918163	VNBAKJKBJVTHJQ-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCCC[C@H]1C[C@@H]1C	2300478583	QHFJIQXKLAWUCE-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1CC(C)(C)C1(C)C	2300697678	RLXFBRQHTOVSAI-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC)CCCCC1(C)C	2300860822	KUTQSNSZRFUPNH-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(=CC[C@@H]1CC[C@@H](C)[C@H]1O)CCCC(C)C	2300869576	KCMHHDFIZOISSS-BZUAXINKSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CC[C@@H]1CC1(C)C	2300875495	VXXGHOAOQPXZJH-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CCC(C)(C)C1	2300882950	ZDSRIGORTXYNAC-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCN(CC=C(C)CCCC(C)C)C1CCC1	2300889300	QLFHUISALSPCII-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CC1CCCCCC1	2301136621	ZCSGHFFAHMJNJH-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(O)(CC2CCCCCC2)C1	2301137276	HDYDAINYVLYPEC-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC1CCCCCC1	2301138213	SBDDIWDWMODAFY-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H](C)[C@@H](C)C(C)C)CC1	2301899514	JXLPNXXLHOUBCZ-DZKIICNBSA-N	236.399	4.620	0	10	BJAE	
C[C@H]1CCC[C@@H](CCCC2=CCCCC2)C1=O	2302301486	SLSOFWJILVQPMX-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@@H]1CCC(C)(C)C1)C(C)(C)C	2302673468	XXHNQXWESQAFQX-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@H]1CCC(C)=C(C)C1	2303522149	KRUYOOFYQFPFMH-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC[C@H]1CCC(C)(C)C1	2304388887	WWMUCHRCXRNVER-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC[C@@H]1C[C@@H]1C)NCC	2307907200	KFYSXRRRLQOCKQ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)C1	2311893277	XKWWFTWNOCRYAI-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CC1)C1(N)CC2(CCC(C)(C)CC2)C1	2313611888	IFTLGSOSOOPDLV-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1C[C@@H]2CCC[C@H]21	2315891577	LTTKRVDXWWJUGG-ZMSDIMECSA-N	243.394	4.719	0	10	BJAE	
CCC(CC)CCOc1cccc2c1CCCC2	2316236926	ZZXPCUHKTFBJRN-UHFFFAOYSA-N	246.394	4.771	0	10	BJAE	
CCC(CC)CCC(=O)c1ccc([C@H]2C[C@@H]2C)o1	2316269075	PZENPJVNCPYAKI-AAEUAGOBSA-N	248.366	4.802	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H](C)C1CC=CC1	2317933520	HMWTUCRONZLQIA-LBPRGKRZSA-N	247.357	4.716	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCC2=CCCCC2)o1	2318529914	WNBFVDLAEWISME-CQSZACIVSA-N	247.382	4.519	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CCC[C@H]2CC[C@H]21	2318548034	IIRYRDDNWYVFCB-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(NCCCC2=CCCCC2)ccc1F	2318549939	BOKPXVUYEABSNE-UHFFFAOYSA-N	247.357	4.827	0	10	BJAE	
CN(CCCC1=CCCCC1)C1CCCCCC1	2318570349	XIUWBENEKNQJDT-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
C[C@H](c1ccco1)N(C)CCCC1=CCCCC1	2318583200	MMBCNXIPFVDSIO-CQSZACIVSA-N	247.382	4.553	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)(C)C1)[C@]1(C)C=CCCC1	2319320567	NZWXYLYUNJVLTQ-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC[C@@H]3C[C@H]32)cc(C)c1C	2319324166	UMNBPWMTRZTFFN-DJIMGWMZSA-N	243.394	4.602	0	10	BJAE	
Cc1cccc(NCC[C@H]2CC[C@H]2C2CC2)c1C	2319739407	TVDRHSGAMWQXBM-CVEARBPZSA-N	243.394	4.542	0	10	BJAE	
Cc1ccc(C)c(OCC[C@H]2CC[C@H]2C2CC2)c1	2319747424	FSOGIAUUIZFNEB-CVEARBPZSA-N	244.378	4.509	0	10	BJAE	
CCCCC1CC(N)(CC[C@@H]2CC[C@H]2C2CC2)C1	2319751943	VPGMHHJMWUIUEH-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1CC[C@@H]1C(C)(C)C	2320319840	IWABULGUTZIQLH-GJZGRUSLSA-N	245.410	4.788	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)C1CC2(CCC2)C1	2320324582	KNLKIIXMVUGSHF-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2(CC3CC3)CC2)CC1	2320389165	XVDKZVKXSZHWDN-OAHLLOKOSA-N	246.394	4.662	0	10	BJAE	
CNC[C@@]1([C@@H]2CCC(C)(C)C2)CCC(C)=C(C)C1	2320402870	WNWXMLALGACREU-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC(C)(C)C[C@H]2C)CC1	2320412017	HENWCTIIVHICEZ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@H](O)C=C2CCCCC2)c1	2320515676	KWSCJELLBNPRQI-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CCCC1(C(=O)C23CC(CC(C)C)(C2)C3)CCC1	2321633367	KKFGTZQYAKRNJA-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC12CC(C[C@H](N)CC3CCCC3)(C1)C2	2321637783	VDOGMAMXKSBEQO-KLAILNCOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(CC[C@@H]2CCC(C)(C)C2)=C[C@@H](N)C1	2321650293	SQUTZYGOMJEKIZ-UKRRQHHQSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1cccc(C(C)C)c1F	2327764117	ANTGWPJAUAXIDQ-CHWSQXEVSA-N	249.373	4.797	0	10	BJAE	
Cc1cccc(NC(CC(C)C)CC(C)C)c1	21808637	UZBNMEOQCOLVID-UHFFFAOYSA-N	233.399	4.868	0	10	BJAE	
C[C@H](NC1CCC(C(C)(C)C)CC1)c1ccco1	35136918	ZTJXVFILNYLPCE-HSBZDZAISA-N	249.398	4.535	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1ccccc1C(C)(C)C	36956479	AOXZXQBPHKEOTE-HIFRSBDPSA-N	245.410	4.975	0	10	BJAE	
CCCC[C@H](C)Nc1cccc2ccccc12	37188623	VTLCOYIBYYIABE-ZDUSSCGKSA-N	227.351	4.830	0	10	BJAE	
CCCCCCN[C@H](CC)C1CCCCC1	71106560	ZWKNYGFBPUZGPV-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](C)N[C@@H]1CCC[C@@H](CCC)CC1	83437218	BUSHYSOWCFCXGM-RRFJBIMHSA-N	225.420	4.514	0	10	BJAE	
CCCC1CCC([C@H](O)C[C@H](C)CCC)CC1	87961257	FQUANQXGQJMLSL-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2cccc(C)c2C)C1	87984625	PJYSTQQUFIRQMT-LSDHHAIUSA-N	244.378	4.703	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2cc(C)c(C)cc2C)C1	88010712	GOGMZYQEIYWUMD-GJZGRUSLSA-N	244.378	4.621	0	10	BJAE	
CC[C@H](C)[C@H](C)n1c(=S)[nH]c2ccc(C)cc21	94660040	MKNGSPQUDXXAOZ-QWRGUYRKSA-N	248.395	4.614	0	10	BJAE	
C[C@H](NC1CCCCCCC1)[C@H]1C[C@@H]2CC[C@@H]1C2	101283518	XLCJGOZXECBQNM-KLZNWCGWSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@H]1CCCC[C@H]1CC	113692310	PJQBZIRXYZEEMB-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1CCCCCCC1)C1CCC1	127728409	YXDDQPXPTMNYHN-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(N[C@H]2CCC(C)(C)C[C@H]2C)c1	155797402	CGJUZEOJYKKTKJ-HIFRSBDPSA-N	231.383	4.622	0	10	BJAE	
CCC[C@H](OCC)c1nc([C@H](C)CC)cs1	157544050	VWXWNIZXWMWPKR-PWSUYJOCSA-N	241.400	4.534	0	10	BJAE	
CCN[C@@H](CC1CCC1)C[C@@H](C)CC(C)(C)C	167136904	CKLBIQZFTDQINV-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CNC(C)(C)C)CC1CCCCC1	203385213	NAWZCKNUIOGZFS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCOc1ccc2ccccc2c1Cl	213124171	RPPANUMUIIUXAB-UHFFFAOYSA-N	234.726	4.672	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1C[C@@H](C)CC[C@@H]1C	221948270	MQXQJYVVECQMGR-VGWMRTNUSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](NCCC)c1ccsc1C	227913687	GUANLNRXWJOZQX-AWEZNQCLSA-N	239.428	4.678	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@@H](C(C)C)C2)c1C	230986384	JCEZPVYRWJYBNN-HZPDHXFCSA-N	245.410	4.930	0	10	BJAE	
COc1ccc2[nH]cc(C3CCCCCC3)c2c1	235005303	JPXBOYMMXMUUCB-UHFFFAOYSA-N	243.350	4.614	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]3CC[C@H]2C3)C1	251102628	DRZKUDQRCGSBCC-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@H](C)N[C@H]1CCCC[C@H]1C(C)(C)C	252435466	JZPVFSABQIUKGT-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CC[C@H](C)CC2)cc1C	253129778	NTPIUWCJUYSUOI-NUTKFTJISA-N	245.410	4.533	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](C)Nc2ccccc21	300118202	ZKJNZTGWZQUQNR-MELADBBJSA-N	231.383	4.801	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1cc2ccccc2o1	302246961	AVZAPQJRJVYVRH-ZDUSSCGKSA-N	246.350	4.683	0	10	BJAE	
CC(C)(C)c1ccc(O[C@H]2C[C@H]3CC[C@H]2C3)cc1	302328724	HTJZDTKZWWWGMK-XEZPLFJOSA-N	244.378	4.552	0	10	BJAE	
CC(C)C[C@H](C)COc1cc(F)ccc1Cl	304247482	PUCFFMHZXFOYDQ-JTQLQIEISA-N	244.737	4.540	0	10	BJAE	
CCC[C@](N)(C[C@@H](C)CC(C)C)c1ccccc1	305908959	DTDRYSDFNXUEKA-RDJZCZTQSA-N	247.426	4.713	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CCCC(C)(C)C	308049174	JPZZJYQDZOUNSF-CABCVRRESA-N	241.463	4.993	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1cccc(C)c1C	308054075	KFGJJJIQCQCPBD-CQSZACIVSA-N	232.367	4.558	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H]1CCC[C@H](C)C1	310128371	JYOCDKHPFVJNMM-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
CCCC1([C@H](O)c2cccc3ccsc23)CC1	310298486	POSVDIXUUJNVBO-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2CC[C@@H]2C)cc1	310339781	CMDHJJVDNGWKQQ-XJKSGUPXSA-N	231.383	4.630	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCCC23CCCC3)c1	310781884	RVQZFOZLRKWFRP-MRXNPFEDSA-N	243.394	4.910	0	10	BJAE	
C[C@@H]1CC[C@@H]1N[C@H]1CCCC[C@H]1C1CCCCC1	310783387	PIVLMSJULSYRKV-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
Cc1cc2ccccc2n1C[C@H]1CCC[C@H](C)C1	310811474	ZSJNZHLDKBMLPE-ZFWWWQNUSA-N	241.378	4.776	0	10	BJAE	
CC[C@@H](Nc1c(C)cccc1Cl)C1CCC1	322300852	ACSUZYXDQJEGSJ-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCCCC[C@H]2N)CC1	380105701	YKAUPBOTBBXLNF-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC1(C)CCCC1)NCC	380727638	PQZPVEKZYIPHRI-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)CCCC(C)(C)C)CC1	383030274	AVCCWSOLLQERRC-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
Cc1csc([C@H](N)CCCCCC(C)C)c1	383393479	PKHSZLSFUZIEHU-CYBMUJFWSA-N	239.428	4.663	0	10	BJAE	
Cc1cccc([C@](C)(O)CCCCCC(C)C)c1	383497204	HDXOLEGAGTYADO-QGZVFWFLSA-N	248.410	4.809	0	10	BJAE	
CCCc1ccccc1[C@H](C[C@@H](C)CC)NCC	384624928	JDIUHJDRUJEIBD-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1ccccc1CCC	384663988	PCVDFESRCNKLJJ-WMLDXEAASA-N	247.426	4.855	0	10	BJAE	
CCCN[C@H](CC)CCC[C@H](C)c1ccccc1	384825931	XCYBVZLGPFLQKX-DOTOQJQBSA-N	247.426	4.739	0	10	BJAE	
N[C@H](CCC1=CCCCC1)c1ccccc1Cl	384849445	KYFPPFDMPPXDBR-OAHLLOKOSA-N	249.785	4.620	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CCCC[C@@H]2C)C1	384976533	IZUMNHOKZGVTIM-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)c1cc(C)cs1	393480624	DACVCVHLPFQPHL-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
C[C@H](C[C@](C)(O)C1CCCC1)C1CCCCC1	395670226	LVIGSONOMRURBC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](Nc1ccsc1Cl)[C@@H]1CC1(C)C	397716247	UUTVNZKSZKDXBK-IUCAKERBSA-N	243.803	4.638	0	10	BJAE	
CCCCc1ccc([C@H](N)[C@H](C)C(C)(C)C)cc1	399213077	VSJRZZHZLGULEC-XJKSGUPXSA-N	247.426	4.711	0	10	BJAE	
CC(C)CC1(C(=O)CC2=CCCC2)CCCC1	401152062	ZNTHGDWARWWQJN-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCCCCC(=O)C[C@H](CC)CC(F)(F)F	402480784	PHTIKCYJFZVYQY-JTQLQIEISA-N	238.293	4.505	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	403666023	UHLNZXYVKRLIEQ-YUELXQCFSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(=O)CCC(C)(C)C2CC2)c(C)c1	405835439	UEHGYRMNPMMZIC-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCCCC[C@@H](CCCC1CCC1)NCC	688402871	CNQVLHSABYMSST-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
C[C@H](CC1CCCCC1)Nc1ccc(F)cc1	689736375	DSRNWZUZFVKUTB-GFCCVEGCSA-N	235.346	4.597	0	10	BJAE	
Cc1cc(C)c(-c2cccc(N)c2Cl)cc1C	690838527	VREUQOGLOJCXDV-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCc1cccc(C(C)C)c1OC(C)(C)C	694950910	SIGISWBELGGOCA-UHFFFAOYSA-N	220.356	4.550	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)[C@@H]1CCCC2(CC2)C1	695984804	NHXPGUHPWHUNSD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CCC(C)(C)CC	696562349	WACNPLNRXXGJIC-KBPBESRZSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccc(C(C)(C)C)cc1	697292800	SBZFBVRKMXDLPC-HNNXBMFYSA-N	248.410	4.844	0	10	BJAE	
CCC(C)(C)[C@@]1(O)CCCC[C@@H]1c1ccccc1	700899536	WHAWHOZDTIUZNV-NVXWUHKLSA-N	246.394	4.512	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccc(Cl)cc1C	701100387	YWDPEBPIRGKWPW-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCCc1ccccc1OCC1CCC(C)CC1	703849824	PJPVNPFATDPSSK-UHFFFAOYSA-N	246.394	4.844	0	10	BJAE	
CCCCCC[C@@]1(N)CCCCC[C@@H]1C(C)C	704463017	XMGGZYUYOQSVHA-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@H]1CCC[C@H](C)C1	704960393	YGCRBFPLRICQOB-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)CC(C)(C)C[C@H]1C	709165708	MUCLZAWSEARJAP-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H](CC)C(C)C	709671220	HDSPXLFFTSOCPJ-MRXNPFEDSA-N	247.426	4.966	0	10	BJAE	
CCCC[C@@H](CC(C)(C)CC(F)F)NC(C)C	710444556	JLAUHXDELJOZSQ-LBPRGKRZSA-N	249.389	4.615	0	10	BJAE	
CC[C@H](CC(=O)Cc1ccc(C)cc1)C(C)(C)C	711144305	HCHMVPGSOFAFNG-OAHLLOKOSA-N	246.394	4.569	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(C[C@@H](C)C(C)(C)C)C1	711223485	GFTYPEDSTZYKIH-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@]1(N)CC(C)(C)CC[C@@H]1C	713040694	YYXRBPXBEMJMCD-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CC1)CC(C)(C)C(C)C	713183793	MNZPYKUKGHOHON-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC(C)(C)C(C)C)C1	713326361	VNZUKVKZMHYZPX-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C/CC[C@]1(CNC(C)(C)C)CC[C@H](C)C1	713737753	KMAXZPOVODLRLT-QDUBOOTOSA-N	249.442	4.703	0	10	BJAE	
C=C/C=C/CCc1cccc(C2CCC2)c1	713755405	YUPRQLYVSAMYLQ-ONEGZZNKSA-N	212.336	4.629	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)(C)C[C@@H]1N	717470327	NLIQHFJNQHYSRT-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@@H](CCC(C)=C(C)C)C1	718522276	YWUIDCIBWHMMSO-OWCLPIDISA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C[C@H](C)CC	718591349	XFYOUHPAXFUQLU-HIFRSBDPSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CCN[C@@H](C)CCCC(C)C	718603040	DSJZXRHGXZKWMX-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CNC[C@]1(CC2CCCCC2)CCC=CCCC1	718995455	HLFSUEMYBHCXPS-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCCCC[C@@H]1Nc1ccccc1F	719274888	HGLPYVFHCZRQLI-AWEZNQCLSA-N	235.346	4.597	0	10	BJAE	
Cc1ccc(-c2ccc(C3(C)CC3)cc2)c(F)c1	757570393	FDYQUGSFCGLZIT-UHFFFAOYSA-N	240.321	4.853	0	10	BJAE	
CC1CCC(CNc2ccc(C3CC3)cc2)CC1	821906349	PHCIFPMASDIIRR-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
Cc1cccc(SC[C@@H](C)C(C)(C)C)c1	1188683179	DZMYSZITYDHRMN-GFCCVEGCSA-N	222.397	4.769	0	10	BJAE	
Cc1ccc(SCc2ccc(C)cc2C)cc1	1307265851	CZYLCBSOMLWQQB-UHFFFAOYSA-N	242.387	4.904	0	10	BJAE	
Cc1ccc(S[C@@H]2CC[C@@H](C)C2)cc1C	1640683545	FUWOBQRBTUWMQB-ZWNOBZJWSA-N	220.381	4.584	0	10	BJAE	
CCC(CC)(CC)C(=O)CCC[C@@H]1C[C@H]1C	1896058920	NYNJKNWINSTOFN-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CC[C@@H](N)C(CC)(CC)CC	1900700363	CPBYOEVXFOHKBK-CQSZACIVSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)CC1(CO)CCCCCC1	1905397185	COBKGYMJCJNBDV-AWEZNQCLSA-N	226.404	4.536	0	10	BJAE	
CCCNC[C@H](C)CCCC=Cc1ccccc1	1912114334	CKLKHAJLZFDGAI-MRXNPFEDSA-N	245.410	4.506	0	10	BJAE	
CN[C@H](CCC1CCCC1)C1CC2(CCCC2)C1	1912597922	XVFLJQPLFATUQZ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C1CC2(CCCCC2)C1	1912638587	QZZMUGDRJSLYHY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@@H]1CCCCCCCC[C@H]1O	1913404998	QTUXPMUPQZMNJR-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
c1cc(N[C@H]2CCC3(CCCCC3)C2)cs1	1915907271	DOQYBNNXXHWJMD-LBPRGKRZSA-N	235.396	4.663	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2CCC(C)(C)CC2)C(=O)C1	1916064568	APEMFIBDYOMSBX-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@@H](C)CCC(C)C	1919972814	JJRDFASDOJOVAB-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CCCCCC[C@](C)(O)c1csc(Cl)c1	1920016003	CONVPBPEXWNPDU-LBPRGKRZSA-N	246.803	4.579	0	10	BJAE	
CCC(C)(CC)[C@](C)(O)c1ccc(C(C)C)cc1	1920036275	QQTAMLQTALWLKK-QGZVFWFLSA-N	248.410	4.844	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1N[C@H]1CCCC12CCC2	1921494146	DGGLEDMCAMJVJW-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2CCCC23CCC3)CCCCC1	1921579185	QQIPFXPOBOFPAY-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CCNC(C)(C)C)C[C@H]1C=CCCCC1	1925890393	FIIPGXXRTCHJFG-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1NC[C@@H]1C=CCCCC1	1925922205	RWTKUZVWMPQURD-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCN[C@H]1C[C@H](C)CC(C)(C)C1	1926159393	KIGGMNWMDNGYFI-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(N)CCC(C)(C)C	1937166135	CKIMXUCWFWKARV-ZFWWWQNUSA-N	227.436	4.602	0	10	BJAE	
Cc1ccc(N)cc1SCC1(C)CCCCC1	1940409912	QJAJICWYXBJGFN-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCC[C@@H](NCCCC1(C)CC1)C1CCCC1	1940847153	POASDPUMZLRSMA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCC[C@@H]2CC2(C)C)C1	1940872576	NIMRYNZSEZASND-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)C1(C)CC(C)(C)C1)CC(C)(C)C	1941982001	MLZYAFJXYMJXHF-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](C[C@H](O)C1(C)CC(C)(C)C1)CC(C)(C)C	1941987436	KTZRBEIMDFUCIK-STQMWFEESA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CCCC[C@@H]1C(C)C	1942660254	KKXZMJWPPDYNKR-ARFHVFGLSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)C1(O)CCCCCCCCC1	1947878424	ICMLIIPKBQXRBK-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCC1(C)CC(CNCC(CC)(CC)CC)C1	1948412484	FNNKXQSZWAQESI-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)[C@H](O)[C@@H]1CCC2(CCCC2)C1	1949435458	TXNDPOFUVIMQKI-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC1CCC=CCC1)C(C)C	1949824014	SKTUBDQTAJBDTJ-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCCCC1CC1)CC1CCCCC1	1949908282	WPWUQHZDUCVHKZ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@@H]1CC12CCCCC2	1950612444	MDUUITGGYRNCAC-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H]([C@H]1CCCC(C)(C)CC1)[C@H](C)CC	1950913261	FYCZICQTKNLXJL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCCCCC1CC1	1966209110	IGVLYFWHSISGMH-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCCC12CCCC2	1967700107	UQKHPHLUYNHUNO-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CC(C)C1CCC(N[C@H]2CCCC23CCC3)CC1	1967704045	ZYCYNJICPLORPK-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(N[C@@H](C)CCCC(C)C)c1	1968251800	JIFTZCXELTXVHW-AWEZNQCLSA-N	219.372	4.622	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccc(C(C)(C)C)cc1	1968276049	UNNQMOLOKQUXLK-OAHLLOKOSA-N	245.410	4.975	0	10	BJAE	
C1CCCCN(CC23CCC(CC2)C3)CCCC1	1970126942	XINYHDNASVKGRS-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCCCC23CCC3)[C@H](C)C1	1972819034	CFLPNOZNYGIQKB-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(N)C1(C)CCCCC1	1975575185	SIHOWTJBOAXHMK-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@](C)(CN)CC1(C)CCCCC1	1978625160	DOOBNPGCOJBNCP-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CCCC[C@@](C)(CNCC)CC(C)(C)CC	1978652727	QBMKOUXXIXAOOQ-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@H]1CCC[C@@H](C)C1	1980277649	UFOQJBJYETZFPV-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CCCCCNCC1(C)CCCCCCC1	1981426156	CLEFPYIZAYSZIU-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
C/C=C/CCCC1(O)CCCCCCCC1	1984609873	GYGPWBKFTNLCFE-NSCUHMNNSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CC1(CCC)CC1)NCC	1990644146	DGKHQERKVDBLHN-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC[C@H](C)c1csc(C2C[C@@H]3CC[C@H]3C2)n1	1992832880	UOJGBLKTQKSSFW-DCAQKATOSA-N	235.396	4.560	0	10	BJAE	
CC(C)C(=O)CCC[C@@H]1CCCC(C)(C)C1	1994026662	SJHHPQHVTCCZQM-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](O)CCC[C@H]1CCCC(C)(C)C1	1994032808	CCBURFPJODCEHF-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1CCCCN1CCCCCC1CC1	1995784850	ZXBUZZRLGZCASR-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CC(C)CCN(CCC(C)C)[C@@H]1CC[C@@H](C)C1	1995896724	SIPALXSVJVPYIO-HZPDHXFCSA-N	239.447	4.569	0	10	BJAE	
Cc1ccc([C@H](N)C[C@@H]2CCC=CCCC2)s1	1999992788	WZFXMYWHXOIUSN-ZIAGYGMSSA-N	249.423	4.583	0	10	BJAE	
CCCCCC[C@H](NC)C1(C)CCCCCC1	2000336953	XFILSQZMLSZQPC-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C[C@H]1CCC12CCC2	2001854682	OZLMPEGZKCPTPX-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1[C@@H]2CCCCC[C@@H]12	2002228394	PGFXFWVIUNTEJH-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H]1CC[C@H](C)CC1	2003067467	TVTSODOCYBOPHL-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CCCCCCC2=O)C1	2003116547	JJKUQJQSHURZOW-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CC[C@H](N[C@H]1C=CCCC1(C)C)c1cccs1	2006903097	XJVDHVSCIICBHK-JSGCOSHPSA-N	249.423	4.534	0	10	BJAE	
CC1CCC(C)([C@@H](N)C[C@H](C)C(C)(C)C)CC1	2007690446	KMRBICMOERCSBW-WJEHIRDRSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC=C(C)C)C1(C)CCC(C)CC1	2007695142	IZZWOBCQUOXHMA-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCN(C)[C@H](C)C1(C)CCCCC1	2009579555	UPTHXIHGLQSMNJ-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
C/C=C/CCC[C@H](CCC1CCCCC1)NC	2009619988	QEBJHCCMOHCDNE-QDLOVBKTSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@](C)(CCC)CNC(C)(C)C	2009629727	UGHNKAGNCWQKFK-DYLHUKMJSA-N	239.447	4.927	0	10	BJAE	
CCC[C@H](CC1=CC[C@@H](C(C)C)CC1)NCC	2010764698	ODMUKPJWGXTEHO-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCN[C@H]1CCC[C@H](CC(C)C)C1	2011444658	VIWFHIHOYLGPOZ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CC(=O)CC1CC(C)(F)C1)C(C)(C)C	2013165232	ALHNTQOHYCDMIJ-AVERBVTBSA-N	242.378	4.546	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(O)CCCCCC1CC1	2014906217	ZQUVSAOQVZMMLZ-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CSc2cc(C)ccc2N)CCC1	2015642409	QAJRXCXEDBOJHV-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCCN[C@H](C[C@@]1(C)C[C@@H]1C)C(C)(CC)CC	2016456019	KHGSPGUHEVHSPJ-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(C[C@@](C)(O)C2(C)CCCC2)CCC1	2017118164	DEDUAXFXRQJRFV-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)NC[C@H]1CC[C@H](CC)CC1	2017663523	UXWAVMLXQMJSCZ-SHTZXODSSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@H]1CCC=CCCC1	2017703346	TVBAKNQUNONTTK-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H]1CCC[C@@H]1C	2018184974	MANLSLZUSFWSQO-XHSDSOJGSA-N	239.447	4.713	0	10	BJAE	
CCCC1(C[C@@](O)(CC)C2CCCCC2)CC1	2018965724	UEAJMYMYPLGNEP-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCCCCC[C@@H]1C	2019201583	SMSRAXQEDRCFBB-ARFHVFGLSA-N	237.431	4.610	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)N(CCCC(C)(C)C)C1	2019331007	VJCRLUYSHMOVDP-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC[C@](N)(CCC1=CCCCC1)c1cccs1	2019846193	LJUFPQBVOGGERV-HNNXBMFYSA-N	249.423	4.593	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CCCCC(C)(F)F	2023435675	BEXVKZVJGBRJSR-LBPRGKRZSA-N	249.389	4.568	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](C[C@H]2CCCC(C)(C)C2)C1	2024091453	IQNZXGQQOQODNC-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCCC[C@@H]2O)C1	2024116535	IFNHKYJNMKWAHS-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)Cc1csc(-c2ccc(C)cc2)n1	2026531171	KSQPSBQVDRCOBZ-LLVKDONJSA-N	245.391	4.707	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CC1(C)CCCC1	2027517136	DCJLARMBUCMLBO-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@H]1CC[C@H]2C[C@H]2CC1	2028964289	JKZWNLBCDUONPJ-MUJYYYPQSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@@]1(C)C=CCCC1	2030350688	BZDLVKCXARYBSX-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1(CCCN2CC[C@@H]2C2CCCCCC2)CC1	2031762542	SIZORKJIDDHGAN-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@H]2CCC[C@H]2C)cc1	2032482776	CFTZXBCHBCEDQH-CZUORRHYSA-N	244.378	4.819	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@@H]1CC12CCCC2	2036105076	KFGQDBMIRSYDEE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCCN(C)[C@@H]1CCC2(CCCCC2)C1	2036770029	AHZCYNQOFYZXHX-MRXNPFEDSA-N	247.426	4.554	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@H]1CC12CCCCC2	2039013212	VVZPDGDHXHSKJL-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)c1ccccc1C1CC1	2042290341	LTEXBBVGHNJKOL-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CC1CCC([C@@H](C)N[C@H]2CCC3(CCC3)C2)CC1	2043607568	SKBXZUBVNWHFST-KNIAUWFNSA-N	249.442	4.514	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C[C@H]1C[C@@H]1C1CC1	2045315315	SIKHDHXSYAGEOF-UKPHBRMFSA-N	246.394	4.518	0	10	BJAE	
CC1([C@H](N)C[C@H]2CC23CCCC3)CCCCCC1	2047016853	RKGBEPWOUYIATB-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@@H]1CCC12CCC2	2047938327	FRSUMDKXXZLRGN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC[C@@H]1CCC12CCC2)C1(C)CCCCC1	2047958625	KGDFGWWIIVCMFY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CC[C@H](C)CC1)c1ccccc1	2049634170	DTZOULSKQRGLHO-IIAWOOMASA-N	244.378	4.576	0	10	BJAE	
Cc1cc(C(=O)CC2(C)CCCC2)c(C)cc1F	2049792276	PHYNVEPEQUMKNF-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCC1)CC1(C)CCCC1	2049792799	IQIASDSQIGMERG-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@H]1CCCC2(CC2)C1)C1(C)CCCC1	2049862343	WBDLGKKAQYFYRZ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC[C@]1(CNC2CC2)CCCC12CC2	2053363934	HROZPANUHBGXDA-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(C(=O)[C@@H]2CCC[C@@H]2C(C)C)c1	2056451282	NTSVOGOSRPLSSQ-HZPDHXFCSA-N	244.378	4.504	0	10	BJAE	
CCC1CC(C[C@@]2(CNC(C)C)CC=CCC2)C1	2056640242	NKIAGUURNWQDMB-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CC=CCCCNC[C@@H]1C[C@@H]2CCCCCC[C@H]21	2059225858	SCQHNYSZPUYUTE-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCc1c(C)ccc(C(F)(F)F)c1C(F)F	2060346143	YQYPVPSSRBVUEH-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@H](N)C2=CC[C@H](C(C)(C)C)CC2)C1	2061114397	YBLBVDHOTNMSFF-DMRZNYOFSA-N	249.442	4.523	0	10	BJAE	
CCC1=CCC[C@@]1(N)C1=CC[C@@H](C(C)(C)C)CC1	2061121467	GLKVVVKILOBQSQ-PBHICJAKSA-N	247.426	4.587	0	10	BJAE	
CC1(C[C@@H](N)CC2CC(=C3CCC3)C2)CCCC1	2061733868	GZQGURZYEDYAIY-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](C1CC(=C2CCC2)C1)[C@H](C)CC(C)C	2061735206	WCZKGCQPODPURL-CXAGYDPISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)C1(C)CCC2(CC2)CC1	2062653990	XECYUUORNOONCU-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC1C[C@H]2CCC[C@@H]2C1	2063427019	IFVVKQKBPBZGCP-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
NC1(CC2CCC2)CCC2(CCCCCC2)CC1	2065894209	KBKJLIVHNVIYAY-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)C1(C)CCCC1	2067569838	HHGKTXNVBVPHCI-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)c1cccc(C2CCC2)c1	2068234664	YDQGQBWFOXVCOI-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C[C@H]2CC23CCC3)CC1	2069175775	CRHWLEAUUORTBQ-HOCLYGCPSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc2c(c1)N[C@@](C)(CCC=C(C)C)O2	2070402162	DDFNIECLUSCXPC-MRXNPFEDSA-N	245.366	4.516	0	10	BJAE	
C[C@@H]1C[C@@H]1CCN[C@@H]1CCCCC12CCCCC2	2071473510	YAQKRMBPAIAUGU-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)c2cccc(C)c2)CC1	2072662728	KOVLEXGYZJFADN-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
CCCC1CCC(C[C@@H](NC)c2ccoc2)CC1	2072801072	KHXPPSISEFVCDT-ZBCRRDGASA-N	249.398	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CNC23CCCCC3)CC1	2072814000	YCMNJHQSELKXNJ-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2072881755	MPRULLOFPJNSNS-NBFUAULTSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@](O)(CC)CCCc1ccccc1	2073340773	HNJIWYBFZORCJQ-KRWDZBQOSA-N	248.410	4.731	0	10	BJAE	
CCCCC[C@](O)(CC)c1cccc(C2CC2)c1	2073349485	CVIUKTKNEVSZCO-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
CCCc1ccccc1NC[C@@]12CCCC[C@H]1C2	2074048369	WOPPSSCFWDVXGP-RDJZCZTQSA-N	243.394	4.631	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCCCc2ccccc21	2075232536	BOEISLCRWTWFGB-OAHLLOKOSA-N	245.410	4.654	0	10	BJAE	
CC=C(CC)[C@H](NC)c1ccccc1C(C)(C)C	2077189933	MZAKKBQKKGPBBY-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2C[C@H]2C2CCC2)CCC1	2079318641	CMGFCNXXAIUFRP-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@H]1C[C@H]1C1CCCCC1	2079491342	IQGMBDMXKJVUPV-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2C[C@H]2C2CCCCC2)CC1	2079630525	WLNIUFHVVZRMJC-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CC12CCCC2	2081779657	HINDPVMINGNMFY-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC1CC(CC(=O)c2cc(C)cc(C)c2C)C1	2082948658	LAUITWJNZRLVNE-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CC(=O)[C@@H](CC1CC2(C1)CC1(CCC1)C2)C(C)C	2083613211	KGNCZUAWYTYZGZ-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1cccc(C)c1C	2086053783	NKOKWPPCZCOVEP-GUYCJALGSA-N	247.426	4.910	0	10	BJAE	
CCC(C)(C)CC(=O)CC1(C)CC(C)(C)C1	2211653864	GYJFBBLZABZZRY-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(Cl)cc(OCCCC(C)(C)C)c1	2212535173	ISOHQMLVODPKGS-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
CCN[C@@H]1CCC[C@@H]1CCCCCCC1CC1	2213575930	LAMFMSBXDWMAPB-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
Cc1csc(C(=O)C23CCC(CC2)CC3)c1C	2213634495	ANLSPGXGPWSBMY-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
COc1cc(F)cc(CCCC(C)=C(C)C)c1	2213708248	QQORDLBPITUPMB-UHFFFAOYSA-N	236.330	4.513	0	10	BJAE	
OC1(CCCCC2CC2)CCCCCCCC1	2214569087	MHSUTIMHMBVQDE-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CC(C)CCCCCC[C@H](N)C1CCCCC1	2214775396	ICUPLKLKBNQBJL-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H](N)C2CCCCC2)C1	2214777971	RDSOGZVUEYCDFW-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@@](C)(O)C2CCCCC2)C1	2215382068	DAQGKXXCETYGKE-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](N)CCC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216748304	UUCRILVCBREXOQ-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CC1=C[C@@](N)(CCCCCCCC2CC2)CC1	2216860914	RURBVQSTUNGZJO-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC1([C@H](O)CCCCCCCC2CC2)CCC1	2216896037	OQIKXYCIXMTMIF-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CN[C@@H](C)CC)C1CC1	2217146166	WRSCSSYLOUYOSV-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
C1CC[C@H]([C@@H]2CCC[C@@H]2CCCCC2CC2)NC1	2220042334	SQIXGKFQIQYHNM-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2220299793	CJYYZGLQFJSOKK-LLLHUVSDSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(CC2(C)CC(C)(C)C2)CC=CCC1	2221027464	GUSTZFNYDDZSDJ-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1	2221628817	DIRXFMKYUBKBRA-JJTUDDRGSA-N	249.442	4.523	0	10	BJAE	
CC1=CC[C@H](CNC[C@H](C)C2CCCCC2)CC1	2221663424	ALJFAMROCNQNNY-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](N[C@H]1CCC[C@H](C(C)(C)C)C1)c1ccoc1	2222269524	SAWRZQFDUMKVBL-SNPRPXQTSA-N	249.398	4.535	0	10	BJAE	
CNC(C)(C)CCC[C@@H](C)CCCC(C)C	2244843292	OOQORTAUICEYLC-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCCC(=O)CCC[C@@H]1CCCCC12CC2	2246626928	NLCSOQXTUYWSGD-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)C(C)(C)C(C)(C)C	2247118058	UURGGAHFMOWRFU-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@H]1CCC12CCC2	2247394395	NXUWSQNENASZOS-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC1=CCCCC1)C(C)C	2247527936	QJSKSPZIJSGOBZ-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC(C)(F)F)[C@H](CC)CCC	2250358536	NKAOGMCPXKFNFZ-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CC[C@@H](C)CN1	2250531356	XFLVTIAJLUBZPR-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)C(=O)C[C@]12CCC[C@H]1CC2	2251162872	NNQDPWQTNWVWKZ-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@]12CCC[C@@H]1CC2	2251177093	VYOKEPROQXZVHW-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CC(C)(C)CCC1(C)C	2251673540	IVXCVSBZBMASNU-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C12CCC(CC1)CC2	2254582163	RHIOAMBSSPJNMI-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC2=CCCCC2)[C@@H]1CC	2255094810	CNEBTHYDWFGJED-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@@](N)(CC[C@@H]1CCCC12CC2)C1CCCCC1	2255273746	PSHOEOBRELEMLO-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCC1(NCC[C@@H]2CCCC23CC3)CCCCC1	2255290497	GMUAPEQKIYFWRK-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](Nc1cc(C)c(C)c(C)c1)[C@@H]1CC1(C)C	2258234753	DMAUBSOARUCAQI-HOTGVXAUSA-N	245.410	4.848	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccc(C(C)(C)C)cc1	2259449172	USEAIOMXGXFSPX-XJKSGUPXSA-N	247.426	4.810	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@@]23CCCC[C@H]2CC3)C1	2260577841	IBJUPRWAJTWPKN-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2260588693	TXJZDZHMNUXHHY-ABFRBSLYSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@@]23CCC[C@H]2CC3)C1	2260657598	JRHCYZLIXMEJNO-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@]1(CN)C[C@]12CCCC[C@H]1CC2	2260678454	LKDXPVBRSGRLGB-USXIJHARSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](C)[C@@H](NC)c1cccc(C2CCCC2)c1	2260724305	ZWSYCBWKDQRMNO-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC[C@@H]2C[C@@H]2CC)C1	2298134494	CRCXKXHNPABXBB-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@H](C)CC1CCC1)C(C)C	2298906297	XXTCGKRKACHZRT-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H]1CCC(C)(C)CCC1=O	2298932340	HYTNWPPTHIODJS-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CCC[C@H]1CC1(C)C	2300506073	UJWLAIDAPPZHSH-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCc1ccc(-c2cc(CC)ccc2N)s1	2300640641	NXCHLPLBFMHVOJ-UHFFFAOYSA-N	245.391	4.512	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2300697406	OPEKINDCXIBFFU-FOLVSLTJSA-N	236.399	4.598	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1CC1(C)C)CCCC(C)C	2300877314	PNXUXKSOSKSFIF-GJZGRUSLSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CC[C@]1(O)CC=C(C)CCCC(C)C	2300908172	AHHRREJJQKBYIN-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H]1CCC(C)(C)C[C@@H]1CC=C(C)CC	2300926892	PUJZVIMJHLZLQB-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C[C@H](O)[C@H](C)[C@@H](C)C(C)C)C(C)(C)C	2301951936	FKCFPRMDWKKEQJ-YJNKXOJESA-N	242.447	4.738	0	10	BJAE	
C[C@H](CC[C@H]1CCCC[C@H]1N)C1CCCCC1	2302506067	DPKKDEGBAIYEFY-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@@H](C)CC(C)C	2302581241	ZELOQEBLRRRSCJ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)c1sccc1C1CC1	2302615614	OEXGWVGJNLQPAW-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1CCC(C)=C(C)C1	2303457945	AIFOGWNQWPDWNL-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC(=O)CCCC1CC1	2303512763	LQTZFHZKNRNWNB-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CCC(C)(C)CCC1=O	2307801642	ONXYNRDUDDCMAO-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CCC(C)(C)CC1	2307924034	NDHJIKDKNWNXJA-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@]12CCCC[C@H]1CC2	2307927430	ZJMUIEGRZMAGFL-OFQRWUPVSA-N	236.399	4.742	0	10	BJAE	
CC(C)=C[C@@](C)(N)C[C@@H]1C[C@H]1C1CCCCCC1	2311606999	QNLJRICZEIOEJR-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)C[C@@H]2C[C@H]2C(C)(C)C)C1	2311610035	ZBMLMWKPVJUDMP-FAAHXZRKSA-N	248.410	4.620	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)[C@@]12CCC[C@@H]1CC2	2313308691	MMLNIFMOTRNPLV-KLZNWCGWSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](NC(CC1CC1)CC1CC1)C1CCCCC1	2313591621	VSCYXWXUMNXQDB-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC=C(C)CC)c1ccccc1	2316568359	PIDCPXKLJKRRAR-KRWDZBQOSA-N	245.410	4.864	0	10	BJAE	
NCC1(CC2CCCCCC2)CCC2(CC2)CC1	2316876697	XYYZQCGCHJYZOH-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
CCCNC[C@]1(CC2CCCCCC2)C=CCC1	2316997674	BKERJJNSWBRRJZ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCCC1(NC[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316997757	CGGVOJZLVFNZPK-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1cccc2ccccc12	2317821526	WDGDEZCMHZPUSH-KGLIPLIRSA-N	241.378	4.932	0	10	BJAE	
CN[C@H](CC[C@@H](C)[C@H](C)C(C)C)c1ccccc1	2317836542	VNUYLTBTFQMWEJ-BFYDXBDKSA-N	247.426	4.656	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCC[C@H](C)C1	2317915109	JNUMAPLPIHELGJ-GXTWGEPZSA-N	249.373	4.940	0	10	BJAE	
Cc1[nH]c2ccc(C(C)(C)C)cc2c1CC(C)C	2318851231	TYEBTVHKZMPQJX-UHFFFAOYSA-N	243.394	4.972	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C1=CC[C@H](C)CC1	2318881621	XBCHKMGNSZSORY-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)C[C@@H]1CCC(C)(C)C1	2319314185	SWLFQRMMJLOKRA-VGWMRTNUSA-N	249.442	4.523	0	10	BJAE	
CC(C)C1(CC(=O)C[C@@H]2CC[C@H]2C2CC2)CCC1	2319582150	DEMXKIRNCKLJOH-HOCLYGCPSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CCCC3(CCC3)C2)CC1	2320232135	KOYSOHJLGRUUST-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC1=C(C)C[C@@H](CN2[C@@H](C)C[C@H](C)C[C@H]2C)CC1	2320387057	CVKYJZLATJSAQJ-SJWGOKEGSA-N	249.442	4.632	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2C[C@@H](C)CC(C)(C)C2)CC1	2320414747	UDEMKHCAKSAAMZ-WQVCFCJDSA-N	249.442	4.680	0	10	BJAE	
CCC1CC(CCNC[C@H]2CCC(C)=C(C)C2)C1	2320415990	GHLZCVAGVCKTKO-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)c1cccc(C(C)C)c1	2320522719	DRXSFHZWGCZFDA-KMFMINBZSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H](C)c1ccc(C)cc1	2328265059	HQVZJMSGJBOZFP-HUUCEWRRSA-N	246.394	4.884	0	10	BJAE	
CCC[C@@H](CC)CN1CCCC[C@H]1c1ccco1	2328273694	CYUQVQCNKHVVHW-CABCVRRESA-N	249.398	4.633	0	10	BJAE	
Clc1ccc(NC2CCCCC2)cc1Cl	19772206	KNKMSUDZFYUEBQ-UHFFFAOYSA-N	244.165	4.738	0	10	BJAE	
CCn1c2ccccc2c2cc(N=[N+]=[N-])ccc21	31416871	WIKNJNRFDNFXKL-UHFFFAOYSA-N	236.278	4.756	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1ccccc1CC	68868558	YXOSOGZMWULUJZ-YOEHRIQHSA-N	248.410	4.889	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H]1CCC[C@H](C)C1	80411547	HUMXLWVZOVGHHM-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@H](C)C2)cc1	80444930	FSLFBYVWGAFACH-HEHGZKQESA-N	231.383	4.801	0	10	BJAE	
Clc1cc(Cl)cc(Nc2ccccc2)c1	82714658	RHCOKFKKJPTSKY-UHFFFAOYSA-N	238.117	4.737	0	10	BJAE	
C[C@H]1C[C@H](Nc2ccc(Cl)cc2)CC[C@H]1C	84836877	LRKMPRDHNPLBDM-UHIISALHSA-N	237.774	4.577	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C1CCCCCC1	87948080	BYGOZHZGDQGUGV-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)[C@H](C)n1c(=S)[nH]c2ccc(C)cc21	94660039	MKNGSPQUDXXAOZ-MNOVXSKESA-N	248.395	4.614	0	10	BJAE	
CCCC[C@H](C)NCc1ccc(CC(C)C)cc1	94896338	ZZSYJTRCUAYAFI-HNNXBMFYSA-N	247.426	4.553	0	10	BJAE	
Cc1c(F)cccc1N[C@@H](C)C1CCCCC1	109939086	SCKVJWOBGUQJNQ-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CCCc1ccc([C@H](N)C[C@@H](C)C(C)(C)C)cc1	111647047	KPSNZDCWXQOARE-CZUORRHYSA-N	247.426	4.711	0	10	BJAE	
CC(C)c1ccc(-c2ccc(Cl)cc2N)cc1	132075932	PAHHEPXTEGNLON-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CCC[C@H]1CCC[C@H](N[C@@H](C)C2CCC2)CC1	137727664	UORFTWCFUYTUQI-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1ccc([C@H](O)CC2=CCCCC2)cc1	161094261	HJHIJKDRVGAZNK-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CC1(C)CC(CNC(C)(C)C)(C2=CCCCC2)C1	161464370	UYWWIPIKOWAPPF-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H]1CC[C@@H](CC)C1	165897132	ZJFFJKRYJCYZGX-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)Nc1ccc(C(C)(C)C)c(C)c1	201437363	NUSCSIGZZCTURT-LBPRGKRZSA-N	219.372	4.503	0	10	BJAE	
CC[C@@H](C)CCC/C=C\CCCCCC(=O)O	206639606	XVHJIIMFAZYVRO-KXQLTZBTSA-N	240.387	4.794	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CC[C@@H](CC)[C@@H]1C	225204625	OVRSDWGQKIMRRN-AALSBFMBSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NC[C@@H]2CC=CCC2)CC1	226537877	YLFUZEJHOKVLJS-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)c2c(C)cccc2C)C1	228049023	IGRSKQOUSAQEPS-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)CCCC(C)C	229451186	SHLILIMYIYMLCF-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](O)(CC2CCCC2)C1	230785225	KRHFLANZPUAFPI-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)c1ccc(Oc2ccnc(F)c2)cc1	232341678	QLNQXFFCWLZVGZ-NSHDSACASA-N	245.297	4.527	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@@H](C)C[C@H]1C	250431404	IPACVZQWQKRCIA-XNRPHZJLSA-N	245.410	4.794	0	10	BJAE	
C[C@@H]1CC[C@@H](Oc2ccccc2Cl)C[C@H]1C	251933433	VMPLLTNULAVZKW-IJLUTSLNSA-N	238.758	4.544	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)CC1CCCCCC1	302292111	GLCCTQIXEFAJOW-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cccc2ccsc12	302397883	OLWOIMKJCXAFPW-BXUZGUMPSA-N	247.407	4.727	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)[C@H](C)CC(C)C	302501616	AHQKJOQMDHMFDJ-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)C(C(C)C)C(C)C	306078655	BPCQVVIXJZXDFW-LSDHHAIUSA-N	241.463	4.575	0	10	BJAE	
Cc1[nH]c2ccc(C(C)C)cc2c1CC(C)C	307991028	YMMCMEHMPOSJSF-UHFFFAOYSA-N	229.367	4.798	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](NC)C1=CCCCC1	308075616	KQFBOSDGLITYIL-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@H](CC)CC(C)C	308098869	QDGCVQBJDVSHIZ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)C[C@@H]1CCC[C@@H](C)C1	310492489	HOLFJFWYHKLGHK-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(=O)CCC1CCCC1)c1ccccc1	310630375	ITWLJIJJPOUBBS-MRXNPFEDSA-N	244.378	4.720	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C(C)C)C(C)(C)C(C)(C)C	319802910	JNKSZXMEUQMJJU-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](N[C@@H](CC)C1CCC1)c1ccccc1	322345000	DEQGFBOPMGLRAK-DLBZAZTESA-N	245.410	4.696	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1CCC(C)CC1)NC	379758868	ANJWJPXBVASDFH-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NCCC)C1(CCC)CC1	380675785	DEWQPAUAMWJPKN-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CNC[C@H](CCCCCC(C)C)C1CCCC1	383096508	AJSWVCUFFAFTRJ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@H]2CCCC[C@H]2C)cc1	384563759	SRGBHQUOZOMHGG-COXVUDFISA-N	245.410	4.636	0	10	BJAE	
CC1(C[C@@H](O)c2cccc(C3CC3)c2)CCCC1	386501332	ZBLXARCFOBVBEX-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCSc1ccccc1NCC[C@H](C)CC	394407971	RHMSKEGQOCLVLO-GFCCVEGCSA-N	237.412	4.647	0	10	BJAE	
CCc1c(S)ccc2scc(C(F)F)c12	396246942	QDWRERQHBFYOGU-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
COc1ccc(C(F)F)c2c(Cl)csc12	396293372	VQPHEUIOOMXPGW-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H]1C[C@H]1CC(C)C	401017302	BXPBTVCUNGDEKI-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)CC(C)(C)C1CC1	405752813	SILOMNNDXFXLCV-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CC(C)(C)c1ccccc1	686655850	ZLUJCGIHUJNROU-ZBFHGGJFSA-N	248.410	4.542	0	10	BJAE	
CCNC/C(=C\C1(C(C)C)CC1)C1CCCCC1	687552259	KAWQMVFMVXTLNK-FOWTUZBSSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CCC[C@@H](C)C2)c1	688934978	FSQDRAVLEDLPQM-UKRRQHHQSA-N	244.378	4.819	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C(C(C)C)C(C)C)c1	688950080	ODPHTCHUIXLGRV-QGZVFWFLSA-N	247.426	4.738	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1CCCCC1	689712800	ATFMRLHMTWPMJP-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H](C)CC1CCCCC1	689758097	ZNSBTGAZHVLODE-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](Nc1cccc(C2CCC2)c1)C1(C)CC1	690112245	VGQGKAAHUCHPTF-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@H]1CC2CCC1CC2	691751751	ZQIWHKREJPHSFG-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NC2CCC3(CC2)CC3)c1	695962598	BDXXXNHCDYOSRH-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1ccc(C)c(F)c1	697771549	LPEFNDSXSPDJEF-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)c1ccoc1CC	697774593	GADQHMXSCJWMBL-HNNXBMFYSA-N	249.398	4.629	0	10	BJAE	
CN[C@@H](CCC=C(C)C)c1ccc(C(C)C)cc1	697774708	NTTMDRNKOVEJFL-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
Cc1ccccc1C(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	699053919	VDGWBCGLCAQNKV-CXAGYDPISA-N	244.378	4.640	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)CC1(C)CCCC1	704473119	OFRAMFSMZVLJDD-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@]1(N)CCC12CCCCC2	705265417	JIFDNYBWFKDHIU-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)[C@@H](C)CC(C)C	708299548	ZCSLSOLQBGYTBW-WMLDXEAASA-N	247.426	4.753	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@H]1CCCC2(CC2)C1	710136293	PPQMPEGJWXBYFE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@H](C)C(C)(C)C)C1CCCC1	710718182	DXWPXTJNYGEKSH-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)(C)C)C(C(C)C)C(C)C	710792898	HWWTWVOAFQUQCR-KGLIPLIRSA-N	241.463	4.575	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CC[C@@H]2CCCC[C@H]2N1	712300869	ULFWQPGFIXOYBW-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(O)C[C@@H](C)C(C)(C)C	713047016	KTBJLOHBSOLCKE-WOSRLPQWSA-N	240.431	4.636	0	10	BJAE	
CC(C)=C(C)CCc1cnc2ccccc2c1	718644098	ARHNJEHHOXRHET-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CC(F)(F)CCC[C@]1(O)CCCCCC1(C)C	718709809	VDXARJHOOODKPT-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CCN[C@H](C[C@H]1C[C@H]1C)c1ccc(C(C)C)cc1	722612903	SOYKXHLZTYZEQH-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CC(C)(CN[C@@H]1CCCC12CCCCC2)C1CC1	1308958808	QBLNAHAHKCLJDJ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C=C/C=C\CCOc1c(Cl)cccc1Cl	1613279751	NXLCJRFBAMBLCA-ARJAWSKDSA-N	243.133	4.505	0	10	BJAE	
Cc1cc(C)cc(CSc2ccccc2F)c1	1643604460	FKZKDQZRUHYABZ-UHFFFAOYSA-N	246.350	4.735	0	10	BJAE	
Cc1sccc1-c1cccc(F)c1C(F)F	1901897553	MEEHRLISWIXECX-UHFFFAOYSA-N	242.265	4.800	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H](C)CC(C)(C)C	1905318983	GZJDNAOJTXLBPW-KGLIPLIRSA-N	227.436	4.569	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1C[C@H]1C1CCCCC1	1910659515	KZGQDCUPRRKOEY-LSDHHAIUSA-N	234.383	4.518	0	10	BJAE	
CC=CC[C@@H](C)c1cc(C)c(C)cc1F	1911843493	SQDNQHQFVQEKBY-SNVBAGLBSA-N	206.304	4.512	0	10	BJAE	
CCC(C)(CC)[C@H](N)C1CC2(CCCCC2)C1	1912614116	OIBYOXSLFKHNHZ-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C1CC2(CCCCC2)C1	1912716184	WVCAVDVYGBLSFN-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1CCC2(CCCCC2)C1	1915857904	NOSBZWCYYPPCOY-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC3(CCCC3)C2)cc1	1916425537	DPAFBEHBBXRVBA-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CCCCC[C@](O)(CC)c1ccc(Cl)cc1	1919904498	MPNHTPSSFUYCPN-CQSZACIVSA-N	240.774	4.518	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H]1CCCC[C@@H]1CC	1920183660	WLYLVYKUEHNVQM-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCCc1cccc([C@](N)(CC)C[C@H](C)CC)c1	1920208527	UUKJFUBZPHLBKT-PBHICJAKSA-N	247.426	4.639	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)C[C@H]1CCC[C@H]3C1	1923458553	BMNRMOFZHXYTKK-STQMWFEESA-N	239.362	4.615	0	10	BJAE	
C[C@H](C(=O)CC[C@H]1C[C@@H]1C1CC1)C1CCCCC1	1924081844	TZBJRJVRMUNLOD-VBNZEHGJSA-N	248.410	4.598	0	10	BJAE	
Clc1ccccc1C[C@@H]1C=CCCCC1	1925818966	FXIBCTBQLFXPRE-GFCCVEGCSA-N	220.743	4.629	0	10	BJAE	
CCCc1ccccc1CCCC=C(C)C	1935971933	CEBHWMJJCRNWIX-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1cscc1CC	1938827817	UFZMMNNRHXZLFK-CQSZACIVSA-N	239.428	4.527	0	10	BJAE	
CC1(CC[C@@H](O)c2ccc3sccc3c2)CC1	1940799006	NRDLVRBVUMCALV-CYBMUJFWSA-N	246.375	4.515	0	10	BJAE	
O=C(CC1CCC=CCC1)c1cccc(Cl)c1	1941793080	LWHXIXYDDJBDSA-UHFFFAOYSA-N	248.753	4.659	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(O)CCC12CCCCC2	1942657041	NIVRLWHWRJDQIE-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1C[C@H](C)C[C@@H](C)C1	1943038678	CDDJXRHZIAZKHO-MCIONIFRSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1C[C@H](C)C[C@@H](C)C1	1943041259	GJYVXEDCBDZQPD-CHWSQXEVSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNCC)CCCC1(C)C	1944475029	HGHXSQZSCWPEIP-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](CCCCCC(C)C)C[C@H](C)C1CC1	1944525790	RFZFBKBPZFJINE-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)CNC1CC2(CCC2)C1	1946636697	YRSMDOWFMBXDCN-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)NC1CCCCCCC1	1948328313	UEBWHHCGYYHJEB-HUUCEWRRSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CC(C)(C)CC(F)F	1949008502	CQISIMWQQCMRIB-NSHDSACASA-N	249.389	4.602	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CCCC2(C)CC2)C1	1949054786	NMPBGPGPRHJRCW-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H]1CCC(C)(C)C(=O)C1	1949656891	UWKUHQGSYCWTOQ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)CC[C@H](CC1CCCC1)NCC	1949870864	RYOUWVJRNBAEDX-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CCC1(O)CCCCC1)C1CCCCC1	1949931715	UBSUUWXJRKZQPH-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCN(C)C[C@@H]1CCCC(C)(C)C1	1962921439	KPYLBRVMCVNFRS-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H](CNCc1cccc(C(C)C)c1)C(C)C	1963166555	JJIWVNPKGIOVSF-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CC(C)(C)c1ccccc1NCC1CC2(CC2)C1	1968319892	DYBNNDAARYDBMD-UHFFFAOYSA-N	243.394	4.586	0	10	BJAE	
CCC1(CC)CCC(NC(C2CC2)C2CC2)CC1	1968484559	ICTLIJFREKWGIQ-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC1(CN2CCC3(CCCC3)CC2)CCCCC1	1969786898	GGXJLCVAFHIRDL-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H]3CC[C@H]2C3)cc1C	1972022924	RPNZZODWNDVTQU-UKPHBRMFSA-N	243.394	4.548	0	10	BJAE	
CCN[C@@H](CC(C)(CC)CC)c1cccs1	1980692805	QLDAOTZWRZICPH-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
CC(C)=CCc1ccc(C2CCCC2)cc1	1980981055	UJASWAXIBPJYOQ-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CC=CCCCC(=O)[C@@H](C)C1CCCCC1	1984593896	WNQFHKXGSSACHT-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
C/C=C/CCC[C@@H](O)C[C@H](CC)C(C)(C)C	1984608811	YTSWLAPCFCBRTD-DWOOFBTHSA-N	226.404	4.556	0	10	BJAE	
CCC(C)(C)CCN(C)CCC[C@H]1CC1(C)C	1995776696	BOGLGSBKAYJSFE-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCCCCN(C)[C@H]1CCC2(CCCCC2)C1	1995886581	VLRKIENNKQDEGD-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCC(CC)CCN[C@@H](C)C1(C)CCCCC1	1995988617	PJMKWOQSYKVVOA-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@]2(N)CCCCCC2(C)C)C1	1996258798	BNHLSLWNZYCDJE-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@]1(C)CC=CCC1	1997606253	HYGOPFIBQLWQBR-ZBFHGGJFSA-N	236.399	4.908	0	10	BJAE	
CCCN[C@H](C=C(C)C)C1(C)CCCCCC1	2000391393	WPNDIUOXSBLBGR-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@](C)(CNC)[C@@H]1CCCC(C)(C)C1	2000519115	VKCNVDIQHWCAED-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1CC12CCCCC2	2001258436	FNEMGGVQWGXEPN-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@H]1CCCC(C)(C)C1	2002980253	XHORWGGIZYULBL-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)CCCC(C)(C)C)C1	2003012859	CNYZPTJNWKFQRJ-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CC(C)(CC[C@H]1CCCCCC[C@H]1O)C1CC1	2003100473	RFTAWNAFAZGPCX-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@@H]1CC(CC)CC	2003102561	YHNHFDRELPNKCV-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1CCCCC12CCC2	2005564978	RHRCPNQKYUDUJM-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC1CCC(C)(C(=O)[C@H]2CCCC[C@@H]2C)CC1	2007681878	RNPBTOCBGRPPQO-WJEHIRDRSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C1(C)CCC2(CC2)CC1	2007683555	QPDUMRHBXXGCEH-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C=C2CCCCC2)CC1	2007926330	NOWFRGCBBGAOPH-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2009574255	BDQMLXRBGRIFNF-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](CCC)CC[C@@H]1NC	2009627134	HPQSOZGBDCGOTL-VTTDZUNHSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@H]1C)CC(C)(C)C	2011578446	ZKYOYJCITNGEQE-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](O)CC12CCC(CC1)CC2	2012822414	VQRFZXULLVXPOW-PCKAHOCUSA-N	238.415	4.534	0	10	BJAE	
CCc1cccc2cc(C3(C)CCCC3)[nH]c12	2014327893	CEMGEVQQDAMVHF-UHFFFAOYSA-N	227.351	4.562	0	10	BJAE	
C[C@H](N[C@@H](C)C1(C)CCCC1)C1(C)CCCC1	2014368385	APHVSNRMIXIDRG-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(CCCC[C@H](O)C(C)(C)C)C(C)C	2015360694	KTQCQKSKEKCFET-HNNXBMFYSA-N	242.447	4.882	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C1=CCC(C)(C)CC1	2016150625	WMGOQSKUFMCAQR-MRXNPFEDSA-N	236.399	4.620	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)CC1CCC(C)(C)CC1	2017247450	ZQFFIDPMKSKLON-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(C[C@H](CN)CC(C)C)CC1	2017728882	QBNROBUYOZYQIY-UYSNPLJNSA-N	239.447	4.604	0	10	BJAE	
CCCC1(C[C@H](C[C@H](C)C(C)(C)C)NC)CC1	2019006006	LJTXOBONSXFPFS-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@@H]1CCC[C@H](CC)C1	2019181334	JLOSLYHLIMVBPY-ARFHVFGLSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H]1CCC[C@H](C)CC1	2020965135	BKHRGRSXLPLWSF-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]1Nc1ccccc1C1CCC1	2021027336	XAUGXBKVGCPJCK-SWLSCSKDSA-N	229.367	4.555	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1CCCC(C)(C)C1	2024102145	QCDYHKLPKUWBOH-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CC1(C)CCC(=O)[C@H]([C@@H]2CCCC(C)(C)C2)C1	2024118449	NKUTVLQPLYUAHI-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc([C@H](O)CCC[C@@H]2CC2(C)C)cc1C	2027842925	MQVHCSIKPIMUMB-HZPDHXFCSA-N	246.394	4.553	0	10	BJAE	
CC1([C@H](O)c2ccc(C3CCCC3)cc2)CCC1	2031751742	HDBAVHHYZLDBNJ-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@]1(CNC(C)(C)C)CCC=CCCC1	2033634705	WCIANSCYPALDEU-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)cc1F	2034265386	UHBKDJCZZJZHEE-JGGQBBKZSA-N	247.357	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)c1cccc(C(C)C)c1	2035497022	VCNJHWAWTULAIY-RDJZCZTQSA-N	246.394	4.598	0	10	BJAE	
CCC1([C@@H](N)c2ccc(C(C)(C)C)cc2)CCC1	2037092665	PNDZTXXTCSHARN-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@H]1C=CCCCC1	2037273368	RAKMJEZGWFNJIH-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](CCC(=O)CC1CCCC1)c1ccccc1	2038112854	RAZPRFXWXRPGOC-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)[C@H]1CCC[C@H](C)CC1	2039367422	VQPXJODQABCGAQ-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1ccc(C(C)(C)C)cc1	2040724537	WMPUAEWEVFHZNX-OAHLLOKOSA-N	248.410	4.844	0	10	BJAE	
CC1(C)CCC[C@@]1(C)N[C@H]1CCC2(CCCC2)C1	2041736907	QGPNSSGUJRYYGQ-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)[C@H]1CC=CCC1	2042025536	WADBVCAMCCWUFK-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@@H]1C(C)=CCC[C@H]1C	2045748587	LVKUGNBFOOJKHF-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(C[C@H]2CC23CCCCC3)C1	2047012172	MTTKGXWLTAVCTH-OWCLPIDISA-N	249.442	4.502	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC12CCCCC2)C1CCCC1	2047058652	KWVCDPLZDYRSCT-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
CCC/C=C/CN[C@H]1CCCCC12CCCCC2	2047589316	HPVNOABSMYMRFD-WJXUGBSRSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C[C@@H]2CC=CCC2)C1	2049539827	JPUSXRZMPUDTAR-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@H]1CCC2(CC2)C1	2049937645	ICFDUUWZZCTDEN-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H](O)c2cccc(C)c2)C1	2050426054	MIZGQTSICYLVAB-INMHGKMJSA-N	246.394	4.635	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H](C)c1ccccc1	2051405976	FPFLJLZQXGECIA-RDJZCZTQSA-N	245.410	4.515	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCC[C@H]3CC[C@H]32)CC1	2052288708	PHTHJYFDJNNNRW-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](O)C2(C)CCCCCCC2)c1	2052479068	IFXLZKVCPHOQCP-INIZCTEOSA-N	246.394	4.779	0	10	BJAE	
CCCNC[C@@]1(C2CCCC2)CCCCC12CC2	2053354918	HHJWXJSPMVHJPD-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCC2)CCCCC1(C)C	2053395152	VRLPEAYSYLUALG-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC=C[C@@](N)(CC2CC(C(C)(C)C)C2)C1	2054979108	AYOXVGGWPVXONC-GIOUXUJVSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@H](C[C@@H]2C=CCCCC2)C1	2055016844	MXUOZYSGNSWGEJ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](NC2CC(C)(C)CC(C)(C)C2)CCC1	2055550503	TVDGMJSNJTYIDP-CQSZACIVSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@]1(C)C=CCC1	2056876726	SYYHPWGJKLJPQP-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H]1CCC[C@H](CC)C1	2056879180	QRDKWFBKNXFUKX-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCC	2059225653	PFWGTOKWHZPHIJ-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](CC(C1CC1)C1CC1)NCC	2059268008	UURDUYRCBVQMGC-LLCTXKFZSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@]1(C[C@H]2[C@H]3CCCCC[C@H]32)CCCN1	2059467003	NDUOUPBSPPOGOI-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@]2(C)CCCCCN2)CC1	2061096600	WDLBBVQSAQJLJC-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C(C)(C)C)CC1)C1CCC1	2061096871	YAVPQAQNLOGLOC-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCC1)C1=CC[C@H](CC)CC1	2061097308	BBAGBZKIPDMGCY-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)C2CCCCCCC2)CC1	2061099324	OHNFWPQWDQXCKU-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCC(C)(C)C[C@@H]2C)CC1	2061114360	XTJHECVJAASXPN-JJRVBVJISA-N	249.442	4.667	0	10	BJAE	
C/C=C/CCCN[C@H](CCCC)c1ccccc1	2062371367	CWKZALAMFWRKRA-NJELEJDNSA-N	245.410	4.864	0	10	BJAE	
NCC1(CC2C[C@H]3CCC[C@@H]3C2)CCCCCC1	2063495190	AIGXMLYBZNELIC-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063534383	AGDDYTNSWYYMAJ-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@H](C)C1CC2(CC2)C1)C1(C)CCCCC1	2064495103	WWHSWHLIUZNDIR-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC23CCC(CC2)C3)CC1	2065334696	HEBSWCQCKOBOHF-OTBWCIGPSA-N	249.442	4.645	0	10	BJAE	
CC(=C1CCCC(C)(C)C1)c1ccc(CN)cc1	2067357267	VOBCKIBXYPCMFG-UHFFFAOYSA-N	243.394	4.519	0	10	BJAE	
C[C@@H](N[C@H]1CCCC2(CCC2)C1)C1(C)CCCC1	2067516531	GJUYQWRMBQZDRB-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)c1ccc2ccccc2c1	2068841326	FZEJUQGPDLHQBP-CXAGYDPISA-N	242.362	4.555	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@@]23CCC[C@H]2C3)CC1	2070969238	ZFLVMQWTLUSPTH-UAGQMJEPSA-N	249.442	4.502	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@H]1C1CCC1	2071783027	OJLGMMSDWNJGAH-JKSUJKDBSA-N	243.394	4.548	0	10	BJAE	
CC[C@@H](NC[C@H]1CC[C@H](C)CC1)c1ccccc1	2072668306	ZQKWEMPVFPEJDS-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2c(C)cccc2C)CC1	2072794508	VFNNWNMMPPRDBX-WKILWMFISA-N	245.410	4.932	0	10	BJAE	
C[C@](F)(C[C@H]1CC[C@H](C)CC1)c1cccc(N)c1	2072820583	ILQCQDZUMWANST-XEZPLFJOSA-N	249.373	4.670	0	10	BJAE	
CCCC1(Cn2ccc3cccc(CC)c32)CC1	2074566748	NLPHPZXNEAZUCX-UHFFFAOYSA-N	241.378	4.784	0	10	BJAE	
CCC1CCC(N(C)[C@@H]2CCC23CCCC3)CC1	2074865556	ZGIBXJJHNSWVQQ-UYSNPLJNSA-N	249.442	4.610	0	10	BJAE	
C[C@H](Nc1ccccc1C1CC1)[C@H]1CCC1(C)C	2077262056	KYBVXMZNUCYVDJ-SWLSCSKDSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc(NC[C@H]2C[C@@H]2C2CCCCC2)cc1	2079638337	BXGYMYKSBUWHSP-NVXWUHKLSA-N	243.394	4.623	0	10	BJAE	
CCNCC(=C[C@@H]1C[C@@H]1C1CCCCCC1)CC	2079665639	MKSWSWWNTIGLKI-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
C1CCCC([C@@H]2C[C@H]2CC[C@H]2CCCCN2)CC1	2079670849	NYCPNIRKXOVHKX-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(C[C@@H]1C[C@H]1C1CCCCCC1)C1CCC1	2079830425	AZBRSLBLWLFJSB-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCC1)C[C@H]1C[C@H]1C1CCCC1	2079841934	LNXXIMUFIUSGPO-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2C[C@H]2C2CCCC2)CCC1	2079865228	OCJXNLSSXRSDIM-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](C)CCC=C(C)C	2081947460	SNBFLXVWAWOJHB-ZDUSSCGKSA-N	249.373	4.935	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CC(C)(C)C1(C)C	2084340524	BEUXJLQVNJACRT-AWEZNQCLSA-N	249.373	4.625	0	10	BJAE	
CC[C@](N)(CCCCCCC1CC1)C(C)(C)C	2213571022	CGQXMERMQOFDSU-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](CCCCC1CC1)NCCC	2214573826	QGBWIYGIPXBFAT-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CC)CC(C)(C)C	2215252393	QBRZUPUYMLYBOU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)C(C)(C)CCC	2216277478	HLSDSSVKFCIGTN-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](N[C@@H]2CCCC3(CC3)C2)C1	2218050957	WHLDAPXTIWVFDR-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC(C)=CC[C@H]1CCCN([C@@H]2C=CCCCC2)C1	2218170152	VASSMNDVUVFYLI-IAGOWNOFSA-N	247.426	4.554	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218382868	OFJNQXOMTZCKCE-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C/C=C/c1ccccc1)C(CC)CC	2219085542	NMQQZCDFDMKFGC-JIIJFUIFSA-N	245.410	4.504	0	10	BJAE	
O=C(CCCCC1CC1)C1C[C@H]2CCC[C@H](C1)C2	2220013474	MYTULHIHNJFXST-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CCCC2(C)C)CC2(CCC2)C1	2221031525	HGEVPRXXJUQZOM-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H](N)CC2(C)CC3(CCC3)C2)CCCC1	2221041963	VQFFBQHMBPKDAE-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](C)(NCC2(C)CCCCCC2)CC1	2221600248	IZCQCTLDWJJOKZ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC[C@]23CCC[C@@H]2C3)CC1	2221646493	UEJRAPSZDYMFHI-PVAVHDDUSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1C[C@]1(C)C(=O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222982343	SJLJAFIHISTSGT-IETPZCKNSA-N	248.410	4.598	0	10	BJAE	
Cc1coc([C@@H](N)CCCCCCCC2CC2)c1	2223116690	IJIOADGGPAIFCN-HNNXBMFYSA-N	249.398	4.729	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@H](C)c1ccc(C)cc1	2223963268	GIYVLGPQJJSAAF-GDBMZVCRSA-N	247.426	4.513	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)C[C@@H](C)CC(C)C)cc1	2223965544	KPVQNGHVLOVSEF-GJZGRUSLSA-N	246.394	4.740	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)c1ccc2occc2c1	2224135940	SQXCEMBSDDHVFZ-GOEBONIOSA-N	245.366	4.505	0	10	BJAE	
CCCCCCC(=O)CCCC[C@@H]1C[C@H]1C	2243067126	QLXLGSCDFJCQFH-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cscc1C(F)F	2244785670	QZMCGEAYBKIRTD-GZMMTYOYSA-N	247.354	4.512	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](C)c1ccc(C)s1	2244800330	LWIBJUOVRHODNU-STQMWFEESA-N	239.428	4.533	0	10	BJAE	
CC(C)(C)[C@](C)(N)CC[C@@H]1CCCCC12CC2	2246619712	GLQFHOLFJYMDIG-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@H]2CCCC23CC3)s1	2247642977	JCYBBWPENHNIOG-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CC(C)=C(C)CCNC(C(C)(C)C)C(C)(C)C	2247722923	PWOWMQWCGRHSPX-UHFFFAOYSA-N	239.447	4.783	0	10	BJAE	
CCC1(C)CC(O)(CCCCC[C@@H]2C[C@@H]2C)C1	2248864836	FIDJHSJWPJSVJY-QRNKSROTSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCN(CC(C)C)CC(C)(C)C(C)C	2252639570	IGSIJVRXTXIFGK-UHFFFAOYSA-N	241.463	4.673	0	10	BJAE	
C[C@@H]1CCCCCCN1CC1CC2(CCCC2)C1	2254110989	YIWWPSUMIZJFNF-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCc1cc(NC[C@H]2CCC23CCC3)ccc1C	2254954841	OXAYVMYTHIEACV-OAHLLOKOSA-N	243.394	4.550	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC12CCC2)CC1CCCC1	2255030414	ZDRDJIPGPTWTPL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C1=C(CN2CCCC23CCCCCC3)CCCC1	2255059458	XNXNLBWEAFCUIQ-UHFFFAOYSA-N	247.426	4.676	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1C[C@@H]2CCC[C@H]21	2257245004	GTOZHQKEBZZXFH-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C)c1NCCCCC[C@H]1C[C@H]1C	2257333736	YSCDQHMQCGLIIR-CVEARBPZSA-N	245.410	4.932	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](c1ccccc1)C(C)C	2259477141	GPTLUKSVBNZVEW-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@]12CCCC[C@@H]1CC2	2260503094	BGJHCTIEPKRDHX-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C(=O)C[C@@]23CCCC[C@H]2CC3)CC1	2260564403	GCVCIPZOGHQMTG-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2C[C@@]12CCC[C@H]1CC2	2260602835	KVUSHAQGMGSYIV-KEYYUXOJSA-N	241.378	4.556	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H](N)C1(C)CCCCCC1	2298920325	LLKNBDIQUFGYDL-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)[C@@H](C)CC1CC1	2298938882	JRLNUIOKKGFIJQ-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1(C)CC2(CCC2)C1	2300677527	ARVLWTOGLZNZJY-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](NC)C1CCCCCC1	2300682884	DFEDFLRMBXLYIB-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(CC(=O)CCC[C@H]1C[C@H]1C)C(C)C	2302607730	BMOFSOCEJNAADS-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@@H]1C=CCCCC1	2302613056	MDAQPBWQIBPORZ-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC[C@](CN)(C[C@@H]1CCC(C)=C(C)C1)C(C)C	2303515065	FHOJEDRCFCEIDV-HZPDHXFCSA-N	237.431	4.524	0	10	BJAE	
CC[C@](O)(CC[C@H]1CCC(C)(C)C1)C1CCC1	2304400426	WGOSBUSYGRZVGR-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CN1C[C@@H](C(C)C)CC[C@@H]1C	2307746542	FXJPJLPKPWRZLO-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@H](C)CC[C@@H]1NC	2307902121	JWAPFLXCNDSOBL-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)(CCC[C@@H]1C[C@H]1C)c1ccccc1	2310431469	VFWYUSXAPPJLPX-BFYDXBDKSA-N	246.394	4.501	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@@H]1C[C@H]1C1CCCCC1	2311511888	KFSZDZKXVQSZSH-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@@H]1C[C@H]1C1CCCC1	2311746741	ZTFBHVDTFFDHHB-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]23CCCC[C@@H]2CC3)C(=O)C1	2313345426	BBQZYMBHHLYLKV-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H]1[C@@H](C)C[C@H]1C	2316594787	MOEAXUQXGXIELA-VIKVFOODSA-N	245.410	4.576	0	10	BJAE	
CC(C)CCCc1c2c(cc3c1CCC3)CCC2	2318391592	DQCXLLPXNFAZFD-UHFFFAOYSA-N	242.406	4.643	0	10	BJAE	
CCCCCCc1ccc(OC)c2ccccc12	2318392055	QXSMGELFKAMGFP-UHFFFAOYSA-N	242.362	4.971	0	10	BJAE	
CC[C@]1(CCCC2=CCCCC2)CCCCCN1	2318562208	SLYOPFHTPSFKTH-QGZVFWFLSA-N	249.442	4.970	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)C1(C)CCCC1	2318590061	XATUFVQJMOLXIJ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1N[C@@H](C[C@H]2CCC3(CCCC3)C2)CC[C@H]1C	2319034880	QPWSPTVBIIVFBD-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NCC[C@H]2CC[C@H]2C2CC2)cc1C	2319736508	FQNWWDHCBPQVIK-WBVHZDCISA-N	243.394	4.542	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1C(=O)CC1CC2(CCC2)C1	2320155906	FZOYDDMXLNRVIF-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC[C@H](N)c1ccccc1	2320250594	SFQIHMVWAHMXNG-IMJJTQAJSA-N	245.410	4.539	0	10	BJAE	
CC1=CC[C@H](CNCC[C@H]2CCC(C)(C)C2)CC1	2321625613	CALBHTKRIZBIIO-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@]2(CNC(C)(C)C)C=CCC2)C1	2326698788	HSULESDMOHDMNU-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](C)Nc1cc(Cl)ccc1F	35284007	KVOAQNHZSQRTDT-SNVBAGLBSA-N	243.753	4.860	0	10	BJAE	
CCC1CCC(Nc2ccccc2SC)CC1	36957213	CBHOKGAQVZDSEO-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
c1ccc2cc(C3CCCCC3)ccc2c1	66381798	LFOAKQQHKCCFNY-UHFFFAOYSA-N	210.320	4.888	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc2oc(C)nc2c1	69371163	FBFSSHOZJLMFRG-GFCCVEGCSA-N	246.354	4.517	0	10	BJAE	
Cc1ccc(N)c(-c2cc(C)c(Cl)cc2C)c1	70475978	NVKFAOXUZDIBDX-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCCC(C)(C)C1	79971178	UTZJEYJDVVSJEQ-ZDUSSCGKSA-N	235.346	4.515	0	10	BJAE	
CCN[C@@H](CCC[C@@H](C)CC)c1ccccc1	80424408	ZBSIZFDOZMXKPQ-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CCC(CC)CNc1c(C)cc(Cl)cc1C	83367712	RUPCYNWRKOTURA-UHFFFAOYSA-N	239.790	4.805	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc1	85086615	QYIHQQKBYUFHJE-JKIFEVAISA-N	245.410	4.876	0	10	BJAE	
CC[C@H](C)c1ccc(CCCCNC(C)C)cc1	87730127	IPOTTXQRHKXIOT-HNNXBMFYSA-N	247.426	4.521	0	10	BJAE	
CCC[C@@H]1CCc2[nH]c3c(C)ccc(C)c3c2C1	87818842	AKECDSNPQDKTCU-CYBMUJFWSA-N	241.378	4.690	0	10	BJAE	
CCCCC[C@H](NCCC1CC1)c1ccccc1	88454951	ISLHEGBVJTXYMD-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@@H]1CCC[C@H](C)C1	88764931	DKEZKPRVVDIYRV-GXFFZTMASA-N	238.758	4.606	0	10	BJAE	
Cc1cc([C@H](N)C2(CC(C)C)CCCC2)c(C)o1	94900935	XEXZIQQHTSNWPP-HNNXBMFYSA-N	249.398	4.503	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](N)C1CCCC1	127282197	NDIINNJWFMRDOU-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)C[C@H](N)C1CCCCCCC1	128224352	ZXIZJVYEZJDJMO-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@@H]1CCC(C)(C)C	155593796	JYJWKIPPZWOSKK-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](O)C1CCC(C(C)C)CC1	165752287	RNCKKGJEYDKDLH-GPANFISMSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)C/C(C)=C\CCNCC	211867156	GTDKZZMPCMRJRC-BAAYTWLHSA-N	225.420	4.539	0	10	BJAE	
CCCC(CCC)c1nc2c(C)cc(C)cc2[nH]1	212065518	IHERUUKSDGIEIG-UHFFFAOYSA-N	244.382	4.864	0	10	BJAE	
CCCC[C@@H](CCC)Nc1ccncc1Cl	226091334	CTIGCGDQEYFMOE-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CCCC2(C)C)c(C)c1	226524225	SGMBCOGOTBRXKD-CQSZACIVSA-N	244.378	4.621	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC23CCCCC3)cc1C	230161475	VHMGHXYQQNCKKW-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
CCCc1cccc([C@@H](O)C2(C)CCCCC2)c1	233411035	AUXIYKPVFIFPKK-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CC(C)n1c([C@H](C)C#N)cc2c(Cl)cccc21	259931013	FAFVUHMLDQJXTP-SNVBAGLBSA-N	246.741	4.503	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](C)CC2)CC1	300562140	CHNGRINWKJXXEQ-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1CCC1CCCCC1	305895086	DDGNGJHTWCQLCS-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1ccccc1C1CCC1	305935035	PVKLUQFRGNOIHA-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCc1c(SC)c(Cl)cc2ccsc12	306611720	MAHWMMKSNBPQIV-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC(C)(C)C(C)(C)NCC1CCCCCCC1	310115014	GUWYHKDUZHFVPM-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H]1CCCC12CCCCC2	313028940	YQCXPPVPQWWEIQ-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCCCC(C)(C)C	313281035	KFPQPWIVWUJENG-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@](CNC2CC2)(CC2(C)CCC2)C1	318189112	KLNIDAWAFVCYLF-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(O)(CCC2CCCC2)CC1	379775706	UJSAUXLHOWKCLN-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC1(COc2ccc(C(C)(C)C)cc2)CCCC1	381347412	LXBNACGFDWJUJZ-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(O)CCCC[C@H]1C(C)(C)C	383513359	HCKIVHDJMFEWTC-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@@]1(O)CCCC1(C)C)C1CCCCC1	383955140	HBCBNMWWICCNFG-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](C)CC(C)(C)C[C@@H](C)C1CCCCC1	383992104	LSLRHRYOHVLSJZ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1ccccc1C(C)C	384056533	PCISHAPOWKMTAH-BBRMVZONSA-N	233.399	4.636	0	10	BJAE	
Cc1ccc(O)c(-c2ccc3ccccc3c2C)c1	384295077	FKAMYJFBKLAZCD-UHFFFAOYSA-N	248.325	4.829	0	10	BJAE	
C[C@H](C[C@](C)(O)CCC(C)(C)C)c1ccccc1	384302763	JLFVMRUCCGHVEW-RHSMWYFYSA-N	248.410	4.758	0	10	BJAE	
CCC(CC)[C@@H](O)c1ccc2ccccc2c1C	384366510	GWAFIRMPABSIHW-QGZVFWFLSA-N	242.362	4.618	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccc2sccc2c1	386411680	JTJJDYHUELXOLZ-JTQLQIEISA-N	232.348	4.520	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC1(C)C)C1CCCC1	387566493	ZTANJXOCWMVUEW-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](N[C@H](C)c1ccc(C)cc1)C1CCCC1	387590440	SJLMKBRWDAZTAH-RHSMWYFYSA-N	245.410	4.614	0	10	BJAE	
CCCCCC[C@@H](C)NCC1(C2CC2)CCC1	391506199	BXPMUBYFZHMYRB-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](NCC[C@H](C)CC)c1cccs1	394466205	WCUDLZSSXCRSIY-OLZOCXBDSA-N	239.428	4.615	0	10	BJAE	
CCC(/C=C(\C)CNC(C)(C)C)(CC)CC	395118159	IBKLSETVFHFGEH-ACCUITESSA-N	225.420	4.537	0	10	BJAE	
CSc1c(C(F)F)sc2cc(F)ccc12	396258910	XMQQGXMQWXHBIO-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1c(F)sc2c(C(F)F)cccc12	396259347	XSRPXQHGUHEKEV-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
Cc1c(S)ccc2sc(C(F)(F)F)cc12	396296534	GNQKPXDCQHDZHB-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCC(CCC)[C@H](CCCC1CC1)NCC	405721769	IMYYXWRHGWDGEX-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(F)ccc1C(=O)CCC(C)(C)C1CC1	405850068	WXXSNQRWDQJPOP-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)NCC/C=C\CCC(C)(C)C1CC1	405944545	BEINRPSFQMMSAW-SREVYHEPSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)c1cccc(C(C)C)c1	688913211	IKGXZWQFLCNDBS-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1cccc(F)c1Cl	690308113	RBXGZQXHMLKGFV-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
C[C@H]1CCCCC[C@H]1Nc1ccc2[nH]ccc2c1	691139511	OQSJWSJYXYMCHM-SWLSCSKDSA-N	242.366	4.549	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C1=CCCCCC1	691178793	YDJQLYGWNNOIHX-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CN[C@@H]2CCCCC[C@H]2CC)CC1	691185653	KZSCNNCDUZQUQJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCCC1CCCC1	691190797	WSICESYUVSTRSK-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)C1CC(C)C1	691911486	VKOXNNKPVLLRMH-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCC1CCC2(CC1)CC2	695698630	FYSUNTWKZSVVCM-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1(C)CCCCCC1	696712771	OXWAHWRZRGMDLO-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@](N)(CC)CCC(C)(C)CC	696784117	VPAJJSCVYUIZTH-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
CCC(F)(F)CC(CC)(CC)CNC(C)(C)C	704720461	UAWFGJOPBGGTSQ-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
CCc1ccc([C@H](NC)[C@@H](C)CC(C)(C)C)cc1	704727673	IFUZUFDXYPEVIZ-XJKSGUPXSA-N	247.426	4.582	0	10	BJAE	
CCCc1ccccc1[C@@H](O)[C@@H](C)CC(C)(C)C	704750205	FVMFFDMFHONWNI-BBRMVZONSA-N	248.410	4.745	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@@H]1CCCC[C@H]1C	704843115	CQXRSYIXAKHWTK-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(CC)C[C@H](C)C1CCCCC1	704973290	OWNBGFXAPXQWLT-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc([C@](C)(N)C[C@@H](C)CC(C)(C)C)c1	709147203	SDCMZQNPGDRJIY-WMLDXEAASA-N	247.426	4.631	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C1CCCCCC1	709240244	ZYHMJZYSMZWOOM-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
C[C@H](C[C@H](O)C[C@@H](C)C(C)(C)C)CC(C)(C)C	710784370	DGDSDFWFXXJWBN-MCIONIFRSA-N	242.447	4.882	0	10	BJAE	
c1cc(N[C@@H]2C[C@H]3CCCC[C@@H]32)cc(C2CC2)c1	712500299	CEUYBJPJIMQPLL-HYVNUMGLSA-N	241.378	4.555	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@@H]1C[C@@H]1C1CC1	712984428	TYNRNIGHKXBGBX-JGGQBBKZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)CNc1cc(Cl)ccc1F	713128548	FUWRKJOOPBKEMJ-UHFFFAOYSA-N	243.753	4.573	0	10	BJAE	
CC[C@H](C)[C@H](C(=O)CC(C)(C)C)c1ccccc1	713305464	WCUADZZUCGWENN-BBRMVZONSA-N	246.394	4.822	0	10	BJAE	
C=C/C=C/CCC1(CNC)CCC(CCC)CC1	713694077	IMCWHFZXIMEWCP-VOTSOKGWSA-N	249.442	4.705	0	10	BJAE	
C=C/C=C/CC[C@H](NC)C1(CC(C)C)CCCC1	713764986	UEUBTBDPNUNHLU-MOEXGYKKSA-N	249.442	4.703	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCCC2(CC2)C1	719259747	KYMIVICFPOUGFW-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H](C)SC[C@H](C)C1CCCCC1	1458965983	APWIYFFVYJKQHT-QWHCGFSZSA-N	228.445	4.981	0	10	BJAE	
C/C(=C/Cl)CS[C@@H]1CCc2ccccc21	1641087077	SAARLXQRCCTTBI-CHOZFAJLSA-N	238.783	4.550	0	10	BJAE	
C1=C(CCNC2CCCCCC2)CCCCC1	1657144107	USDZWCYUESHIRA-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
CC=CCCCc1cc(Cl)ccc1C	1900754135	PQJQEJNQLJSNPW-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CCC[C@H](CC)CC(=O)C(C)(C)C(C)(C)C	1905434525	ZJVDHBXQGPCXIU-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
C[C@H](CC(=O)CCC[C@@H]1C[C@@H]1C)CC(C)(C)C	1908595845	PCTUOYIKYIQSQW-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@]12CCCC[C@@H]1C2	1909863387	GDKMUVXAAGFPOQ-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@H](C2(N)CC3(CCCCC3)C2)CC[C@H]1C	1912729508	SWIONGXDHZJEAY-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CCCC=CCNc1cccc(O[C@H](C)CC)c1	1914692213	BFHSYOADJIFMIE-CQSZACIVSA-N	247.382	4.632	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2CCCC23CCC3)C1	1921601812	JUOJSMKVAPTFGJ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c([C@H](N)[C@@H](C)C2CCCCC2)c1	1924136636	UJBAYVULWJHAIS-WMLDXEAASA-N	245.410	4.520	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)CC1CC(C)C1	1925132547	SRIWQQIBLXQXTR-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CCCC1(C)CC1)NCCC	1935924984	RPJPYPXTANOWNZ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(=Cc1ccc(Cl)s1)c1cccc(N)c1	1936003152	ROMMLYHENCFMFC-UHFFFAOYSA-N	249.766	4.544	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@H](C)C1CC1)NCC	1940717500	BLJHQOLIAFAVQY-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@]1(CNCC)CC=CC[C@@H]1C	1940953824	KJUCBWMZZJCEAM-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CC(C)(C)NCCCCCC1CC1	1941581645	MXVOPHPOJHSEKG-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CC1(CNC)CC(C)(C)C1	1941981570	GUEHVANGEPZXEH-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)CCC1CCCCC1	1942653219	OIVOPVAJYGGBIN-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](C)(O)C(C(C)C)C(C)C	1942659667	OGXNQJZYGIEZAN-GDBMZVCRSA-N	242.447	4.738	0	10	BJAE	
CCC1CCC([C@@H](N)[C@H](C)CCC(C)C)CC1	1942659775	JQJWFIJERSQHHZ-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C)CNC1(C2CCCCC2)CCC1	1945278706	NFFPFLPUZICVRY-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](NCCC2(C)CCCCC2)C1	1945433205	YDMDUPAHODNVHW-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@@H]1CCC(C)(C)C1	1945578090	CLTMFDGIHZEJGH-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(NC2CC(C3CCCCC3)C2)cs1	1945994394	PCMQTYVFEWOBCU-UHFFFAOYSA-N	249.423	4.827	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C1CC(C)(CC)C1	1948406739	DWEDBJJPQCCHHS-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CC[C@H](NCCCC(C)(C)C)CC1	1948430826	RNKJLHVRXPVYDB-SHTZXODSSA-N	239.447	4.617	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C1=CCCCCCC1	1948950710	LGBUSUAOWYCWOO-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)[C@@H](C)CCC(C)C)C1	1949080361	NZQBXHDCAVSDRV-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(C2CC(C)(C)C2)CC1	1949156408	WEOXEHWGZIXGSM-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@](C)(N)[C@H]1CCC2(CCCC2)C1	1949402810	MROHWWBOGREBKR-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@H]1CCC(C)(C)C1	1949516078	FSWCXXZFEAYWBY-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CCC(=O)CC2CCCC2)CC1	1949863092	YNCXBRRKRPVPIM-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC1CCC(CN(CC)c2ccccc2)CC1	1968246495	XVXPQXUPZQOMDF-UHFFFAOYSA-N	245.410	4.729	0	10	BJAE	
Cc1cccc(NC(CC2CC2)CC2CC2)c1F	1969470874	OSHAPRMRFXLKQU-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCCCCC[C@@](C)(N)C1(C)CCCCC1	1975573479	MENNNPBPXBDVPO-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
C/C=C/CCCc1ccc(C(C)(F)F)cc1	1984602989	GZJFVGHOUBICPD-ONEGZZNKSA-N	224.294	4.697	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C[C@@H](C)CC(C)C	1988793638	ASIJYVWQAUXNMN-LSDHHAIUSA-N	226.404	4.556	0	10	BJAE	
CCCC1CCC(C[C@H](C)CC(C)=O)CC1	1989839470	QJPQLNGWDNONRK-LRVUVFPRSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)c1c(C)csc1C	1990092823	DUKUPBYAEVYNEN-CQSZACIVSA-N	239.428	4.509	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC(C)(C)CC	1990124740	CFYRXTNSCWOJRB-CQSZACIVSA-N	227.436	4.713	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1996612159	HKJCETBZJDEYLZ-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC[C@H]1CCC=CCCC1)NC	1999997219	WHJIAEPBOMCVFQ-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CCCC1CCC1)CNC(C)C	2000498747	CLLUWGLDCRDVAS-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@@H]1CC12CCCCC2	2001264012	VYSMIDUNDHLTGG-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C1(C)CCCCC1	2002504787	QVFRHJGYNKRWON-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@H]1CC=CCC1	2003074007	GKAGVYCKQGHIHX-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](CC(F)F)C[C@H]1CCCCCCC1=O	2003119875	XDVGNWAGZWPXNL-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCCC=CCNCC1(C)CCC(C)(C)CC1	2007681972	SVCRIOPPJBRQHC-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC1CCC(C)([C@@H](O)C[C@@H](C)C(C)(C)C)CC1	2007699721	ZBTVCBKPCWVHEN-IQXANGCESA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1CCC(C)(C)CC[C@@H]1N	2009411166	NZUODVQSEAJWAC-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1(CCC)CCC1	2009616208	GTTGADXWQVVRHB-NFBGWVBBSA-N	237.431	4.681	0	10	BJAE	
CCCC1CCC(O)(CCC[C@H]2C[C@@H]2C)CC1	2011562825	AQRJHCLGVHYKAC-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](CNCC(C)C)(CC(C)(C)C)C(C)C	2012411154	KNMDKHMEZYXEKA-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1CCCC(C)(C)C1	2013265395	WGAYMGBXGLAOJO-GJZGRUSLSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CNC)CCC1(C)C	2014858950	OAPLEXFZUXLEJC-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)CCC1CCCCC1	2014901349	PVZSSYKYEOYTIX-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)CC(C(C)C)C(C)C	2015284520	OITSSQGSSOWUAE-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC(C(C)C)C(C)C)[C@@H](C)C(C)C	2015285259	UZTAYXHSJKXVCV-GOEBONIOSA-N	241.463	4.575	0	10	BJAE	
CC(C)C(CC[C@@H]1CCCCC[C@@H]1N)C(C)C	2015359526	DIRWUASLBSUBST-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
CCc1ccc(NC[C@@H]2CC23CCC3)cc1Cl	2015536844	FQSSPFBXFPGYRY-LBPRGKRZSA-N	249.785	4.505	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC[C@H](C)CC1)C(C)C	2017728822	PHQGUKLVKGLCNY-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](O)(CC)CC1(C(C)C)CCC1	2018131301	NIBLUZTZMLRNML-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)C[C@@H](C)C(F)F	2018135038	VCOJUZAKULNYHU-AGIUHOORSA-N	249.389	4.615	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@H]1CCC[C@H](C)C1	2018179214	FJNIMDYVKILEFG-JYJNAYRXSA-N	239.447	4.856	0	10	BJAE	
CC[C@H]1CCC[C@H](N(CC(C)C)CC(C)C)C1	2019199430	DRBUUESJWKLHDT-HOTGVXAUSA-N	239.447	4.569	0	10	BJAE	
CCc1ccc(NCc2cc(C)c(C)s2)cc1	2019917934	FSCANEKAIPNCII-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCN(C[C@@H](C)C(C)(C)C)C1CCCCC1	2020534031	KIFPITBPUWJDEE-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
C[C@H](Nc1ccccc1C1CCC1)C(C)(C)C	2021027310	WAUCYNVYWPJFAI-LBPRGKRZSA-N	231.383	4.801	0	10	BJAE	
CCCNC[C@@H](CCC)CCCCC(C)(F)F	2023287534	JRXAYBBOLFTMJS-ZDUSSCGKSA-N	249.389	4.618	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCC(F)(F)CC	2026168397	ZULCKVVHKOQFDE-OLZOCXBDSA-N	249.389	4.746	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@H]1CC12CCC2	2026171155	UNXBUELOYCGOEC-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)Cc1csc(-c2cccc(C)c2)n1	2026530936	ICCPGVUMFLBBFG-LLVKDONJSA-N	245.391	4.707	0	10	BJAE	
CCCc1ccccc1CNC(C)(C)C(C)(C)C	2027901912	ROAIHGIPZGROAF-UHFFFAOYSA-N	247.426	4.553	0	10	BJAE	
CCCc1ccccc1[C@H](N)CCCC1CCC1	2027903769	PTCOFXMIFJTACY-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
C[C@@H]1CC=CC[C@]1(CCC(C)(C)C)CNC1CC1	2027927413	XDGBNDVVTZLNRP-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(NC[C@@H]2C[C@H]3CCCC[C@@H]32)CCC1	2028776862	YFEDMWYFLCSNTM-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1ccccc1CC(C)C	2028930972	QRQNOBAUHOZPOD-QGZVFWFLSA-N	246.394	4.665	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1CC[C@@H]2C[C@H]2CC1	2028963848	GAMDYOYTRMDDQA-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](CC)c1cccc(C)c1	2029965998	FCKJYGONEYVIQF-RHSMWYFYSA-N	247.426	4.862	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(N)CCC2(CCC2)CC1	2032251280	JWFHZYOVNLSGRF-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc(C(=O)[C@H]2CCC(C)(C)C2)cc1	2033394575	OZVMNIRHSOKOKK-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CC(C)c1ccccc1C1(O)CCCCCCC1	2035545636	ZNZKOXKLWRJFLV-UHFFFAOYSA-N	246.394	4.742	0	10	BJAE	
CC(C)[C@H](c1ccccc1)[C@H](N)CCC(C)(C)C	2037099499	UMWXQSDLMVWTRD-HZPDHXFCSA-N	247.426	4.580	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)CC1CC2(CCC2)C1	2037980577	ZWEWIEJCEYQTSE-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CCCC2(CCCC2)C1	2038354853	QJBCZKXDGZOJKX-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@@H]1CCC2(CC2)C1	2038569915	ZSRIZVRVETVCLO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](NC)[C@]2(C)CC=CCC2)C1	2042026216	BWJLDYGYQSXOAN-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)c2ccccc2C2CC2)C1	2042278911	OKUBPEDGLXMAQG-STQMWFEESA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@H]1C=CCCC1	2043186120	BVYOJOTWDKLZKE-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCCC1([C@@H](C[C@@H]2CC23CCCC3)NC)CCC1	2047007848	KUJCBERSENQWSW-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@]1(C[C@@H]2CC23CCCCC3)CCCN1	2047016405	OPQILSQQYXSXED-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C[C@H]1CC12CCCCC2	2047016589	PTFZGLCPESUVDV-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCN(C[C@@H]1CC12CCCCC2)C1CCCCC1	2047035136	BDLJIQFMIZBSIK-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
O=C(C1CCCCC1)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047424578	MMJBIBXSMNRNKG-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCCNC[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047449403	YRDZBEGBZCLEHV-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC1[C@@H]2CCCCC[C@@H]12	2048442636	GJOJAKRQHCEUEZ-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CCC([C@@](C)(N)CC2CC=CC2)CC1	2049414406	HHUNUYHCNGWEEG-JCYILVPMSA-N	249.442	4.523	0	10	BJAE	
C[C@@H](C[C@H]1CCCCCCC1=O)c1ccccc1	2049705834	WJWAXLQAQOGSNX-GOEBONIOSA-N	244.378	4.720	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H](C)C1)[C@@]1(C)C=CCC1	2050007035	PDZAJBWHFZGIQR-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1=CCCCC1)c1cccc(F)c1	2050494304	IAYNWFITTPBJSV-UHFFFAOYSA-N	246.325	4.679	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@@H]1CCCCC12CC2	2053415264	HCGYACGWBZUSNV-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc(CCF)cc1	2055675167	VEYURKWUUABQSJ-ZBFHGGJFSA-N	249.373	4.579	0	10	BJAE	
C1CCCC(NCC2CC(C3CCC3)C2)CCC1	2056690445	VFWGNCPQCPSEPB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@@H]1CCCC(C)(C)C1	2056875471	GZOZHWHLJWRVJK-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C=C1CCCC1)C1(CC(C)C)CCCC1	2056879954	XYXMYMGYGMVYDD-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](O)c1cccc(C(C)(C)C)c1	2059220518	BGGFJXYPSMVLKL-INIZCTEOSA-N	246.394	4.764	0	10	BJAE	
CC1(C)CC=C(CC(=O)c2ccc(F)cc2)CC1	2061190040	SHEUJFAMLLUJAF-UHFFFAOYSA-N	246.325	4.535	0	10	BJAE	
CC[C@@H]1CCCCCN1CC1CC(=C2CCC2)C1	2061706177	BOWZHKQBYCVOFK-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
CCC[C@]1(CC2CC(=C3CC3)C2)CCCCCN1	2061722604	LLDRBFPPLDECAK-QGZVFWFLSA-N	247.426	4.579	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1N[C@H]1CCCCCC12CC2	2062015721	ADXKITLGEDSBGH-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@]2(N)C=CCC(C)(C)C2)C1	2063650286	SJRCJDGBIZKVSU-HWMZRRJGSA-N	249.442	4.523	0	10	BJAE	
CCCc1ccc([C@@H]2CC(=O)CC(C)(C)C2)cc1	2063727773	YUAXXMCXQMIYLC-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](CC23CCC(CC2)CC3)C1	2065285884	KJUXDJDJMJCSRO-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]2CCCC[C@@H]2C1)C1(C)CCCC1	2067518658	YTBZUYRYFWNPDR-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@@H](N)CC(C(C)C)C(C)C)c(C)c1	2068844678	PTOMAYXGGRHFTA-KRWDZBQOSA-N	247.426	4.622	0	10	BJAE	
CCCC1(CN(C)[C@H]2CCCC3(CC3)C2)CCC1	2069283731	GBEQQDGDEJHDFQ-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@@H]2CCCC3(CC3)C2)CC1	2069521427	KYFPAQJCGNWESY-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1CCCCC12CC2	2070414091	QJGBHYCQLAYCTG-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CC[C@H]3C[C@H]23)CC1	2071189044	COUWTTPSKXFBAG-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)c1cccc(C2CCC2)c1	2072096119	RKYMARYUIICFKP-GXTWGEPZSA-N	242.362	4.573	0	10	BJAE	
CCCCC[C@@](O)(CC)c1cccc(C2CC2)c1	2073349484	CVIUKTKNEVSZCO-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)C1CC(C(C)(C)C)C1	2074781629	VOUIUKKCTSROBA-JEYLPNPQSA-N	245.410	4.504	0	10	BJAE	
C[C@@H]1CC[C@H](N2CCCC23CCCCC3)C[C@H]1C	2074800403	VLEDEWFHZIIKSI-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CN(C1CC2(CCCC2)C1)[C@@H]1C=CCCCCC1	2074810786	RLTLPLAAZDCPLF-OAHLLOKOSA-N	247.426	4.530	0	10	BJAE	
Cc1ccccc1CN(C)CCCCCC(C)C	2075154110	NPYAXVVLYAJTLU-UHFFFAOYSA-N	247.426	4.643	0	10	BJAE	
CCCCN(C1CCCC1)[C@@H]1C=CCCCCC1	2076586937	RNDQBIMONQOUFI-MRXNPFEDSA-N	249.442	4.920	0	10	BJAE	
CC1(C)C[C@](C)(CC[C@H]2CCCC3(CC3)C2)CN1	2078855626	GEPVZIKEVDIHEX-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CNc1cccc(C2CC2)c1	2079613743	NDLLTHMDTZLFHE-GDBMZVCRSA-N	243.394	4.658	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@H]2C2CCCCC2)CCC1	2079831252	IOLHXGPMQGREAW-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@@H](C)NC[C@H](CC)C(C)C	2081211236	BHEVMBLXEVMYKQ-ZBFHGGJFSA-N	247.426	4.582	0	10	BJAE	
CCCCC[C@](N)(CC)Cc1cccc(C)c1C	2082925998	QDBLDZONEREVDI-QGZVFWFLSA-N	247.426	4.534	0	10	BJAE	
CC1(C)CCC[C@H](C=C2CCC[C@H](CCN)C2)C1	2082981451	DDTYTRDDBKCPKR-GDBMZVCRSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CCCC[C@H]2C(=O)C3(CCCCCC3)[C@H]21	2083254076	WFXXKYLRJODCBG-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@H](O)CCCCCCCCC1CC1	2212446512	OWJJGIYNCZZGDS-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)C1CC(O)(CCCCCCC2CC2)C1	2213578821	AIBJFTVDCZCCIH-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](N)CCCCC1CC1	2214570946	UCNWBSUTKJCJMR-CVEARBPZSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CCCCC2CC2)C1	2214576116	ANLKUHBCAVTNPX-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCC[C@@H](N)C1CCCCC1	2214766255	VLFNGKXBNXZRRY-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@H]1CC(=O)C1(C)CCCCCCC1	2215104217	FQFJJBOZCFHKCR-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCC2CCCC2)CC1	2215823776	MQTNAIGRCIBORK-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
CCCC1(CN[C@@H](C)CC)CCC(C)(C)CC1	2217132341	XGENGOYVZPDSCA-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@]1(CN[C@@H](C)CC)CCC1(C)C	2217137137	JVQAGPOQAARCRN-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CNC1CCC1)C[C@@H](C)CC(C)(C)C	2217152048	AWHWHYYPBLZDJD-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C1CCC2(CC1)C[C@H](CCCCC1CC1)CCN2	2220043942	GBJMXKXZOKSLPE-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CC)[C@@H]1C=CCCC1	2220878090	MBIJKNLGXOGSDB-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1C[C@H]1CCNC1(C2CCCCC2)CCC1	2220925456	QSUYWWLVACKWHB-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2C[C@@H]3CCCC[C@H]3C2=O)C1	2221075044	BRYBGIWWLKWSDO-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@H](O)CC2=CCCCC2)CC2(CCC2)C1	2221128900	HKVKPHORMROMAA-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC[C@@]23CCC[C@H]2C3)CC1	2221646491	UEJRAPSZDYMFHI-BHYGNILZSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](c1c(C)cccc1C)[C@@H](CC)C(C)C	2222014034	NPVCXEPLFSXWBA-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CCCC12CNC2	2223130447	MUBGJBDLOPBGKS-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CCC12CCC2	2223154734	MHSFNVOYWBPJSQ-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@@H]1C[C@@H]1C1CC1	2223157585	GWLPAOZXDSRGRH-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CC1(C)CC(C)C1	2246451695	YXFKSMMEVUYNAV-GRAKBVBRSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](CC1(C)CC(C)C1)NC	2246454523	PGOBWXHNNJSSEC-OGVSOVDVSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(NCCCC[C@H]2C[C@H]2C)c1	2247112850	BODSRBSBEUJVNH-CABCVRRESA-N	231.383	4.542	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC[C@@]1(N)CCC[C@@H](C)CC1	2247158866	JMTMPTJQSFCACO-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)c1csc(C2CC2)c1	2248074489	POFBHHGXDFJQMH-LBPRGKRZSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CCC(C(C)C)C(C)C	2250359033	QASIOBLTTJMWBB-HOCLYGCPSA-N	242.447	4.882	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC[C@H]1C)[C@H](CC)CCC	2250372535	QCIPXVDCDQHAGO-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CNC[C@H]1CCCC(C)(C)C1	2250379638	DFAHVMPGBKCZFX-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CC2(CC(C)C2)C1	2250458154	JTLXUARLIFRQGM-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1(N)CC(C)(C)C1	2250473545	DVNREAVJEOSNOR-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC1(CN)CCC1	2250514528	QCPSZKXILFGDKP-OAHLLOKOSA-N	239.447	4.748	0	10	BJAE	
CCC(CC)N(C)[C@@H]1CC(C)(C)CCC1(C)C	2251723427	XVJCVDUBYSKBFM-CQSZACIVSA-N	239.447	4.712	0	10	BJAE	
CC1=CC[C@H](CNCC[C@H]2CCC[C@H](C)C2)CC1	2253963834	HUXKLZUJTKUVMZ-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CNCC1(CC2CC3(CCCC3)C2)CCCCC1	2254052332	AYVOMBWTAUSXEZ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc([C@H](O)CCCC[C@@H]2C[C@H]2C)cc1C	2254583992	KZHRYANENFMSBN-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@](C)(N)[C@@]12CCCC[C@@H]1C2	2254588285	SFQVLLZGDOUGMR-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
Cc1c(F)cccc1C(=O)CCCC[C@H]1C[C@H]1C	2254610346	OHRQEZSGBGTZIG-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C[C@H]1CCCC12CC2	2255222048	CHCRMNILTBTLRD-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C[C@H]1CCCC12CC2	2255336462	WVPGJOHVTFMXDI-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(CN)CCCC12CC2	2257280505	GEXUJJPUMFGTKO-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
Cc1cccc(NCC2CC3(CC(C)C3)C2)c1C	2259558446	KMMQZIYHYYYRDF-UHFFFAOYSA-N	243.394	4.542	0	10	BJAE	
CCCCC1CC(NC[C@]23CCCC[C@@H]2CC3)C1	2260554019	LRKIEDMFXCYRLY-MNAZLIDISA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)[C@@H](C)CC1CC1	2298853631	PMCDAVLOHASIJK-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](O)C[C@H]1CCCC12CC2	2300683724	MQNSIPACKSYLOQ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](CC[C@H]1CC1(C)C)NC	2300684470	VBVZERPUCWMFHT-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](O)C1C[C@H](C)C[C@@H](C)C1	2300687110	YOOPESWOICSJCN-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CC[C@]1(CO)CCC[C@@H](C)CC1	2300688393	MRKAQTRRXCYTSB-ZBFHGGJFSA-N	240.431	4.782	0	10	BJAE	
CCC(CC)CCN(CC)c1ccccc1C	2300688408	MTZJTJSLGHGKHY-UHFFFAOYSA-N	233.399	4.648	0	10	BJAE	
CC(=CCN[C@H]1CC[C@H](C)C1)CCCC(C)C	2300864550	BVFQKDMPBKYBCT-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](O)C1CC(CC(C)(C)C)C1	2300908017	YQGKOOLJSNEZJH-YMAMQOFZSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@H](C)[C@H](C)C(C)C	2301841648	WOPBCHMCBOYLOB-KLHDSHLOSA-N	242.447	4.738	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@H](C)[C@H](C)C(C)C)C1	2301961310	JNRMQFAOMIEJPH-TUVASFSCSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)C1CC(C(C)(C)C)C1	2301965837	XKVKJMNGXFFFDS-IWMBGFJWSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(C)CCNCCCC1=CCCCC1	2302360896	GPVKLKVQMCOGKF-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@@H]2CCC(C)(C)C2)C1	2302754228	WFXUUMBRQCRBNH-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
Clc1cccc(NCC[C@H]2CC[C@H]2C2CC2)c1	2303158148	BQLAATIMIOFLJJ-DOMZBBRYSA-N	249.785	4.578	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CC[C@H]1C(C)(C)C	2303396600	AYYWPUDKXNETBQ-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@H]1CC[C@H]1C(C)(C)C	2303445657	SGQLQSMYRKHNQM-XDQVBPFNSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CC)C(CC)CC	2303570659	SKFTWWOQTXMGEF-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1ccc(C)c(C)c1	2307844572	OEHWPBOQYRDXHW-HOCLYGCPSA-N	234.383	4.553	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1c(C)cccc1C	2307892535	FCLPUKUUZKSNMD-HUUCEWRRSA-N	233.399	4.520	0	10	BJAE	
C[C@@H](N[C@H]1C[C@@H]2CCCC[C@@H]21)C1(C)CCCCC1	2308572105	OOHFMBWDMMDAKU-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
C[C@](N)(C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2316869332	GQCQMEGIEYAJSM-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)CC1=CCCCC1	2318593234	ROTOVUNGFYNACR-KRWDZBQOSA-N	247.426	4.875	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)CCC2=CCCCC2)C1	2319109064	VSXSIAXAXMLHAM-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C[C@@H]2CCCC23CC3)C1	2319127970	FQPJSRPPSRIKJK-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
COc1cccc(F)c1CCCC1=CCCCC1	2319190728	GQYMOICBYVBGPL-UHFFFAOYSA-N	248.341	4.657	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H]2CC[C@H]2C(C)(C)C)CC1	2320209796	VRYRYEXNPNDCOK-BVUBDWEXSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@@]12CCC[C@@H]1CC2	2320228392	KBYQPPHSNBVEJY-VMUDFCTBSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](NCCCC2CCCCC2)CC1	2320237018	FSMODGUMYDAPJA-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC1([C@@H](O)c2cc(C)ccc2C(C)C)CCC1	2327701887	RPLVYUZAOCXDRY-INIZCTEOSA-N	246.394	4.732	0	10	BJAE	
CN[C@H](c1cc(C)ccc1C(C)C)[C@@H](C)C(C)C	2327786518	KRGQGGCADZAGIF-YOEHRIQHSA-N	247.426	4.671	0	10	BJAE	
Cc1cccc2c1NC[C@@H](CC1CCCCC1)C2	11633696	YQTQSIHVYYBJLW-HNNXBMFYSA-N	243.394	4.550	0	10	BJAE	
CCN[C@@H](c1c(C)c(C)c(C)c(C)c1C)C(C)C	35542084	ZDLBQVHWGCWVBE-QGZVFWFLSA-N	247.426	4.535	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H]1CCCC[C@@H]1C(C)(C)C	37118164	JZPVFSABQIUKGT-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)c1sccc1C	69636382	RVOFKBGCSGUQDV-OLZOCXBDSA-N	239.428	4.676	0	10	BJAE	
CCCCCC[C@H](NC)c1ccccc1Cl	71085501	OJGKEPGBBHBEFU-AWEZNQCLSA-N	239.790	4.571	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC[C@@H](CC)C1	71118004	QTJRTZHIHVKIJH-ZBFHGGJFSA-N	245.410	4.938	0	10	BJAE	
CCc1ccc(O[C@H]2CCCC[C@H]2CC)cc1	85150723	RKSDURLINRFRMX-ZBFHGGJFSA-N	232.367	4.597	0	10	BJAE	
CCCCCCNCC(C)(C)CCCCC	87399053	HXUXUNBIXOJQQS-UHFFFAOYSA-N	227.436	4.763	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCC[C@@H](C)c1ccccc1	88294190	UORABNOTPOGQJL-XHSDSOJGSA-N	247.426	4.595	0	10	BJAE	
CCCC1CCC([C@@H](NCC)[C@@H](C)CC)CC1	93188282	MFGCRZNJZYRLME-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CCC(C)C)CNC1CC1	111236211	YZEGQPQCFOWEKH-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1C[C@H](C)CC(C)(C)C1	111666096	WXSADFVJHQLBOU-YDHLFZDLSA-N	239.447	4.616	0	10	BJAE	
Fc1ccccc1-c1ccc2ccccc2c1F	112733530	UJZHADOYXSMEAQ-UHFFFAOYSA-N	240.252	4.785	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H](C)CC1CCCC1	128580077	WZDDDLDRCWNXGR-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
CC(F)(F)c1ccc(Oc2ccccc2)cc1	146648411	RCNMWGXGJWQEHW-UHFFFAOYSA-N	234.245	4.591	0	10	BJAE	
CCC(CC)[C@@H](CNC(C)C)C1=CCCCC1	161455602	LTHREUQTKDQSPM-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@@H](CCC1CCCC1)NCC	162153669	GXDWFLGHVLSTRC-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C(=O)C[C@H](C)CC(C)(C)C)CC1	165967185	JLRTZZIGERIAKQ-MOKVOYLWSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CCCCCC(C)C)C(C)C	166180117	UCERCNLERGRMHY-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccc(C)c(C)c1	202098376	OBUZRNKOLMOKSM-CQSZACIVSA-N	232.367	4.703	0	10	BJAE	
CCC1CCC(/C(C)=C\CCNC(C)C)CC1	211785637	WNGAOYCEYRNSPL-AUWJEWJLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CC[C@@H](C)C[C@@H]1C	222332969	WSNYFTBECHLWTD-UGUYLWEFSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)[C@H]1CCC[C@@H](CC)C1	227020950	SJTFPBZOOJYGDG-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@H]1CCC[C@@H](CC)C1	227178441	JABDUTSNWJPPKG-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCC1(CN[C@@H](c2ccccc2)C(C)C)CC1	233037167	FLWGUFVUDWOPSS-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CCCc1ccc(N[C@H](CC)CCC)cc1	233289387	IEJQXPQXHCMTNL-CQSZACIVSA-N	219.372	4.630	0	10	BJAE	
CC[C@H](C)[C@@H]1CNc2c(Cl)cc(Cl)cc21	234015885	VDOMAAIQQHJQPU-XVKPBYJWSA-N	244.165	4.549	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	251313392	JDPTTYQPEXKPCN-IEKCDTDMSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@H]1CCC[C@H](CC)C1	252903822	PENMUBXOYNRYNA-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
N#Cc1ccc2ccc(F)cc2c1-c1ccccc1	260411311	BUHPPYMKXCGPER-UHFFFAOYSA-N	247.272	4.518	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@H](C)CC(C)C)c1	300977444	SWZDYTVKTFXCEA-GFCCVEGCSA-N	239.790	4.743	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@@H](C)CC(C)C	302550745	JXTFYTZIZLGQTI-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
Oc1cc(F)c(C2=CCCCCC2)cc1Cl	304515707	GKJFGJAGNPWFGP-UHFFFAOYSA-N	240.705	4.532	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)C)C1(C)CCCC1	305914759	GMYCNYSWCPRQKU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1oc(C)c([C@H](N)CCC2CCCCC2)c1C	305921392	HYJRMWDEOVERBB-OAHLLOKOSA-N	249.398	4.565	0	10	BJAE	
CC(C)NC[C@@H](C)[C@H](C)CCC1CCCCC1	305938678	LDSOAGZIVSWXHS-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)c1ccc2c(c1)CC[C@@H](C)N2	306090917	JKGXHUXERIIHIS-CHWSQXEVSA-N	231.383	4.583	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)c1ccsc1Cl	306370814	LJYUWAKPANERNN-UHFFFAOYSA-N	244.787	4.657	0	10	BJAE	
CSc1cc2c(Cl)cc(C)cc2s1	307668301	JRIJAZCNFUSWHY-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC1(CC)CCC1	308056621	OWIAGSQVVBNRRW-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)c1ccc(CC)cc1	308084300	QJWUPPLNFAXQKN-IAGOWNOFSA-N	247.426	4.711	0	10	BJAE	
CC[C@@H](CNC(C)C)C[C@@H](C)C1CCCCC1	310455550	CTKSZWIGKYHQPK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@@H](CC)c1ccc(C)cc1)C1CC1	310700492	FOEZNKIYOCAJHE-IRXDYDNUSA-N	245.410	4.614	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCC[C@H](C)C2)c(F)c1	310754540	KZSQZQLTUJVDSD-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CN[C@@H](CC1CCCC1)c1ccccc1C(C)C	310815264	HEVKLPRKRJWBGT-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1C[C@@H](C)c2ccccc21	310838531	LVBXZNXNEGZVLM-LOUJCGABSA-N	245.410	4.649	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CCC)CCC[C@H](C)C1	317818481	YPPYOEUGAFUNHI-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(N)CCC(C(C)(C)C)CC1	319649594	OXYBZLISFLZOPR-RNDNHVFHSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)(C)C)cc1)C1CCC1	322478077	RVYZHSOCTQUBPJ-INIZCTEOSA-N	245.410	4.975	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C(C)C)C1CCC1	324924881	SPTXKXGAFDDLBZ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)CCC(C)(C)C)C1CCCCC1	380046511	UDFSSZKOLHEPFN-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCc1ccccc1[C@H](N)C[C@@H](C)CC(C)(C)C	381365287	OXFLVEJGHASCRR-CZUORRHYSA-N	247.426	4.711	0	10	BJAE	
CCCCCC[C@@H](NCC)c1cc(C)cs1	382301241	TZOVMWMYRIVRRZ-CYBMUJFWSA-N	239.428	4.678	0	10	BJAE	
CCCCCC[C@H](N)CCCCCC(C)C	383253736	KSAFNBYLLIOLGL-HNNXBMFYSA-N	227.436	4.891	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)C1CCCCC1	383476925	DFTMBQKWTFGUDL-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1C[C@@H](C)c2ccccc2N1	383558651	ZTEBHYHDYHHBKC-DVOMOZLQSA-N	231.383	4.657	0	10	BJAE	
CC(C)C(O)(C[C@H](C)C1CCCCC1)C(C)C	383575357	DCCADHOQKKNJCP-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](O)CC1(C)CCCC1	384089684	YRUAPPHJSZMOFQ-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C[C@H](C)C(C)(C)C	384504707	QQCSHQLSDNYHEC-BBRMVZONSA-N	248.410	4.745	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)c1ccccc1	384932674	IOISIWVPJNCNPM-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cscc2C)cc1C	387354736	SSRMDSCAOUNPJE-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CC(C)CC(C)(C)CN[C@@H]1CCC[C@H](C)CC1	391165659	DIWVCJRZBKBQHK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H]2NCC23CCCCCC3)C1	394640001	SVEOBGXDUJUHNY-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](CNC1CC1)C(C)C	394847904	DBTWGGBWRNUCBE-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](Nc1ccccc1SC)C1CCCC1	395676942	KGGYOWWLDLZZJL-ZDUSSCGKSA-N	249.423	4.789	0	10	BJAE	
CCc1cc(SC)c2c(CC)csc2c1	396175829	BTUODRVRQRNHCV-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cc2scc(CC)c2cc1SC	396180480	ZPLFPSGZNMAJHC-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
Cc1cc(C(F)(F)F)c2sccc2c1C	396205052	YBZAWMPMKVYMNT-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CC[C@H](Nc1cccc(SC)c1)[C@@H]1CC1(C)C	397620230	RQZJXHRLOIBKLI-KBPBESRZSA-N	249.423	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1ccc(C)cc1C	401585879	MUHBUAQXGZKQDH-HOTGVXAUSA-N	245.410	4.932	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNCCCCC(C)C	401960924	NZPUOHLIYWSCIX-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC[C@@H](C)[C@H](C)CNCC(C)C	696805476	JMGDFCMKTUODLC-HUUCEWRRSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H](C)C(F)(F)F)cc1	698749030	CCLYZLFOWFEMTC-UWVGGRQHSA-N	245.288	4.563	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1c(C)oc2ccccc12	701070714	RAUAWIJHMALWOZ-HNNXBMFYSA-N	246.350	4.601	0	10	BJAE	
CC[C@H](NCCCCC(C)C)C1CCCCC1	703954393	KLGMLMRZXSRASE-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](O)CC1CCC(C)(C)CC1	703964212	RKMVLEOQYMFHBU-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@](C)(O)CC1CCCCC1	704882672	HQQRCHHLQOJKDF-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(C[C@H]1CC2CCC1CC2)C1CCCC1	704936316	ADRSKBWLCLNZFF-OCUYMYNFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@@H](C)CC(C)(C)C	708297002	KNRVNMWEZIKAQX-DZGCQCFKSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](/C=C1\CCc2cc(N)ccc21)CC(C)(C)C	709088415	REIKMTRWKKBZLQ-OQZOHAQUSA-N	243.394	4.671	0	10	BJAE	
CCc1cccc(NC[C@H](C)CC(C)(C)C)c1	709101529	JUTGLNMZUGJPRJ-CYBMUJFWSA-N	233.399	4.733	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(O)C[C@H](C)CC[C@@H]1C	709259169	LEQMVZGIUQKZMK-ORIJERBGSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C[C@H](CC)C(C)(C)C)C1CCC1	711185719	UVVORELSSNXYHC-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@H](C(C)C)CC[C@H]1N	711294160	NAEFHTGWISAUBH-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)[C@@H](C)C1CCCCC1	713144468	CICTYNUFTSRVNY-ZFWWWQNUSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)C[C@H](C)CC(C)(C)C	713249871	NGRAIIQQTQSXQB-UONOGXRCSA-N	242.447	4.882	0	10	BJAE	
C/C=C/C[C@H](C)c1ccc(SCC)cc1	714553182	DKGWXSXPMSWAIP-FUEXJSSKSA-N	220.381	4.868	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1ccc(C(C)C)cc1	718513694	NTLGLVUWJOCCLE-QGZVFWFLSA-N	245.410	4.946	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C1CC2(CCC2)C1	718563922	GCJWCNBTQWLPTO-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCNc1cccc(Cl)c1F	718640784	AZEHMJHDRQTSFD-UHFFFAOYSA-N	241.737	4.637	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(O)CCC(C)(C)C	718694376	SZFZQDJQBWIFEP-OAHLLOKOSA-N	226.404	4.700	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(N)CCCCCC1(C)C	719192227	NAWYBMZASGPOLK-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCCCCC1(C)C	719263688	YVKPXQDPBNZXNF-AWEZNQCLSA-N	249.373	4.905	0	10	BJAE	
CCC[C@@H](C)[C@](O)(CC)CC1CCCCC1	720977147	MABZFNVRBSWEJB-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)[C@H](C)Nc1cccc2cc[nH]c12	1560778891	HYBNNLSRIJKCRE-OLZOCXBDSA-N	244.382	4.795	0	10	BJAE	
CCCC[C@H](C)[C@H](CC=C(C)CC)NCC	1900884592	WUXDTVZQNGVIFJ-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCCCCCc1ccccc1OC(C)C	1901883884	ZJJNPEWUWPKZAL-UHFFFAOYSA-N	220.356	4.597	0	10	BJAE	
CCC[C@@H](CC)C[C@@](O)(CCC)C(C)(C)C	1905373718	ISHRLIQOWSWCAY-HIFRSBDPSA-N	228.420	4.780	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1C[C@H]1C(C)(C)C	1910696510	OXIHCHLFYDCSQK-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1C[C@H]1CCC(=O)CC1CCCCC1	1910794748	PMHHOUNFSZSZGL-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CC=C[C@@H](NCCC)c1cccc2ccsc12	1912032013	YYQIWRSYUYEOQH-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
CC[C@](O)(CCCC1CCC1)c1ccc(C)cc1	1919890885	OTFCCZHRDHJUJE-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CC(C)NC[C@@H]1CCC[C@H]1C[C@H]1C=CCCCC1	1925893058	RCGHDLIDNQKIPC-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCCC1)CC(C)(C)C	1925915880	RSJQNUPDUHNSHO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(C[C@H]2C=CCCCC2)C1	1925946696	VRMKERCNRHUMGH-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC(C)(CC[C@@H]1C=CCCC1)CC(F)F	1932598946	PZAHLRMGEQXYQJ-LLVKDONJSA-N	216.315	4.804	0	10	BJAE	
Cc1cccc(C)c1-c1ncc(C(C)C)s1	1939021958	TZZYQGVCCSWATF-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
CC(C)[C@@H](N)CCC1CCC(C(C)(C)C)CC1	1941145366	YHPNJTQNTIRTOA-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CNC(CC(C)C)CC(C)C)C(C)C	1941926209	LYXAVOALCQLRRU-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CC(C[C@@H]2CCCCC(=O)C2)C[C@H](C)C1	1944197494	BGDNCZWLBRGTRX-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C[C@@H]1CC1(C)C	1944742136	RSWZSWKGBLZLEM-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC)CCC(C)(C)C(F)(F)CC	1947361881	QKGLUOJWKIVYSR-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCC1CCC([C@](C)(N)[C@H](C)CC(C)C)CC1	1948328518	UZWZCOWXZVDYEA-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(N[C@@H](C)c2ccoc2)c(C)cc1Cl	1948810129	UMYNFPYQQXMUOE-NSHDSACASA-N	249.741	4.723	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@H](C)CC(C)C	1948981476	TZYNPBUEQLFUMR-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@H](N)C1CCCCCCC1	1949046201	YJHBGCSAVIMQAB-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C(C)(C)CCNC(C)(C)C)C1	1949530277	MMMNHIJEDSGGCX-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1CC2(CCC2)C1	1949838260	VFQQAMMZWAFSHJ-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H]1CCCC(F)(F)CC1	1949889696	KEICWGJUVXBZPC-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
Cc1ccc(NC2C[C@@H]3CCC[C@H]3C2)c(Cl)c1	1950299242	UJENLMGJZFQZLQ-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCC[C@@H](C)CC1)C1CCC1	1950925002	PMAPTNLMGPXAIX-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CCCC2CCC2)CC1	1950925128	QOEYPSUUKOAUKD-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CN(CC)C[C@@H]1CCC(C)(C)C1	1963156842	JHSFHAGKZNTBPY-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
C[C@H](CN1CCCCC12CCC2)C1CCCCC1	1966232632	SOSPGISYAZHSCI-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1C[C@@H]2C[C@H]2C1	1968602336	JFDLCLLDCYYZCQ-HZPDHXFCSA-N	243.394	4.576	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](N[C@H](C)c2ccccc2)C1	1969249938	KJJAYLHUHVCKSX-PVAVHDDUSA-N	245.410	4.552	0	10	BJAE	
CC1(C)CC[C@H](CNc2cccc(C3CC3)c2)C1	1972458426	BHWNVJAPYHNBFX-ZDUSSCGKSA-N	243.394	4.802	0	10	BJAE	
CCc1ccc([C@H](C)NCC(C)(CC)CC)cc1	1973315631	KRCSDOVGRDLCOT-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@H]1CCC=CCCC1	1978271675	DQZVMUQBNQBTIW-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CCCC[C@H]1CC	1984574606	CNLUTHQTKJOVQA-JRFBKZHLSA-N	222.372	4.518	0	10	BJAE	
CC=CCCCc1cc2cc(C)ccc2o1	1984607485	OWBKVQAYMUSQFG-UHFFFAOYSA-N	214.308	4.640	0	10	BJAE	
CC=CCCCC[C@@H](NCC)c1cccs1	1984630689	UOKARTQNGJLNKN-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cccc(C)c1	1986949477	YQXRINCYOOWINF-AWEZNQCLSA-N	219.372	4.622	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@](C)(O)CC)CC1	1989807128	GGEHTLJODLZOBO-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
Cc1c(N)ccc(C2=CCCCCC2)c1Cl	1993952614	BBZDQAVFVGPZIN-UHFFFAOYSA-N	235.758	4.578	0	10	BJAE	
C=C=CCCc1ccc(Cl)c(C(F)(F)F)c1	1995148228	ZWOGFFQOHFEZFV-UHFFFAOYSA-N	246.659	4.633	0	10	BJAE	
CC[C@@H](C)Cc1csc(C(C)(CC)CC)n1	1995451624	DEUFHHRTRZRFGZ-LLVKDONJSA-N	239.428	4.809	0	10	BJAE	
CCC(C)(C)[C@](N)(CC)C1CCC(C)(C)CC1	1996568922	VZBSDAUAHVKSGU-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H]1CCC[C@@H](C)C1)NC	1996612704	ZVDPTTFRVIMWKI-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)CC[C@H]1CCCC1(F)F	1996616798	NJTWFSRBUBKXIU-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CN[C@H](C)CC(C)(C)C[C@H]1CCC=CCCC1	1999991660	BXJTXHXXKSKZCH-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@H]1CCC=CCCC1	1999996737	RIVOOHAYNBNIMH-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@H](O)[C@@H]2CCCC(C)(C)C2)CCC1	2000023810	KFLDUZGGVAGSEA-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCc1ccccc1O[C@H]1CCCC(C)(C)C1	2000104861	HKEFLDWGXUYXRS-AWEZNQCLSA-N	232.367	4.597	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)CCCC2CC2)C1	2003016042	GLROSEDIWCSGPN-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@H]1C=CCCC1	2003069931	FWULENPZBIURQW-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@H]1CCCC2(CC2)C1	2003218219	PNRULVDLQVXYMC-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CC=CCC1)c1cccs1	2003689160	YMBHKFNNQZGXHN-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@H]2CC[C@@H]21	2004796935	GFZSNBLEJOHVOD-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCC(C)(C)CC)CC[C@@H]1C	2006940118	ABYXJWSFWOPDAS-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1CC(C[C@H]2CCCCCCC2=O)C1	2007769163	KXFCFOPQASZDGL-SHARSMKWSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H](CCC)CC(C)C	2007856763	GGRXIEXUZIDCSA-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
C[C@H](CCO)C[C@@H]1CCCCC12CCCCC2	2008715201	DXVMYEQERWZNJL-CABCVRRESA-N	238.415	4.536	0	10	BJAE	
CC=CCCC[C@]1(O)CCC2(CCCCC2)C1	2009594834	UEXPIYSVNFAIMH-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H]1CCCC[C@H](NCCC)C1	2009618407	BHEQCRGCIKKQKH-TVKHYIBRSA-N	237.431	4.681	0	10	BJAE	
CCC(O)(CC)CC1=CC[C@@H](C(C)(C)C)CC1	2010712099	GJNOFYXCOKNZMD-CQSZACIVSA-N	238.415	4.700	0	10	BJAE	
Cc1cc(Cl)ccc1OCC1CC(=C2CC2)C1	2011066439	KWMXJGHSSWMINJ-UHFFFAOYSA-N	248.753	4.528	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(N)CCCCCC12CC2	2011275307	QYAYBJZAYFELDW-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CCCCCC12CC2	2011275308	QYAYBJZAYFELDW-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC[C@H]1C[C@H](N)CC2(CCC2)C1	2012052087	ABOBWVONLRIGSZ-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(C)c(F)c1	2013263607	IOUIMUOQLJJLNB-CYBMUJFWSA-N	237.362	4.761	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1CCCC(C)(C)C1	2013528833	PEWRKENHSLTTTB-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](C)Nc1cc(F)c(C)c(F)c1	2013714784	SVWAFNMLHZQNFZ-JTQLQIEISA-N	241.325	4.654	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC(C(C)C)C(C)C)NC	2015277373	GQWLZOPGOLOUCG-GOEBONIOSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CCC(C(C)C)C(C)C	2015340321	UJLCSOLYENKMBQ-AWEZNQCLSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(C[C@](C)(N)CCC(C)(C)C)C(C)C	2015407418	AQYXAOLOLMVKFL-MRXNPFEDSA-N	241.463	4.848	0	10	BJAE	
CCCC1(C[C@H]2CCC(C)(C)CC2=O)CCC1	2015594673	IURDWMVNYJCYIT-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@@](C)(N)C2(C)CCCC2)CCC1	2015645658	UNYUJYKIUDBAND-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cc(C)cc(F)c1	2016143615	GGWVWKFMHHQDFG-CYBMUJFWSA-N	235.346	4.681	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@H]1CCC(C)(C)C1	2016148817	DASNXOWLHARMNE-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C[C@H]2CCC[C@H](CC)N2)CC1	2017736647	YODQXTCVJWEOBT-SSHXOBKSSA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC(CC(=O)C2(C)CCC2)CC1	2017774062	JWPOHWLPTRPOOD-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@H](CCC2=CCCCC2)C1=O	2020397101	NSBGCZCQKZWUEC-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC(C)CC(=O)CC[C@H]1C[C@H]1C1CCCCC1	2022557455	OKBXXXJQJZSPMH-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)CCCCC(C)(F)F	2023438929	URANXCYPEOELBG-GFCCVEGCSA-N	249.389	4.568	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1CC[C@@H](C)C1	2026065421	UIVXHXKKXSTPOL-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@]1(N)C1=CCCCCC1	2026917396	FXRDLIOEZDSRGE-OIISXLGYSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1C[C@H]1C1CCCC1	2028461431	IVNIHSCJENVHCX-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(CC2CCC=CCC2)C1	2028871360	ZPXLUIQKOGPFJG-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@@]12CCCC[C@@H]1CCC2	2031760505	MBIZHCVERSDEFT-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC1(c2cccc(NCCCC3CCC3)c2)CC1	2032242511	ILSKXSOMOFZYQX-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
CCC[C@H](Nc1ccccc1C1(C)CC1)C1CC1	2032243492	VYNKRNORGUAJKS-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
CC(C)NCC1([C@@H]2CCC2(C)C)CCC=CCC1	2033573963	YNDPUOZCGROAOV-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)C1=CCCCCCC1	2037074449	PCSQPRQSEHZQQN-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CCC1(C[C@@](C)(N)[C@H]2CC3CCC2CC3)CCC1	2037101739	IYPQNFCNXNNQQU-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1c(C)oc2ccccc12	2037128799	VJXBWRATPGVNDG-CYBMUJFWSA-N	245.366	4.567	0	10	BJAE	
CC1CCC2(CC1)CC(N)([C@@H]1CCC[C@@H](C)C1)C2	2038942049	YXPXBJWSLHLAEB-FVROTGDOSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)cc(N[C@@H](C)C2(C)CCCCC2)c1	2039861661	HOMLXKTXODBSEZ-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H]1C[C@H]1CN[C@@H]1CCCC2(CCCCC2)C1	2040765436	QNMFMPBGYHGNPR-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(NC2[C@H]3CCC[C@H]2CC3)c(C)c1	2042047113	IEMDYAHAMNWSSN-GJZGRUSLSA-N	243.394	4.602	0	10	BJAE	
CC[C@H](N[C@H](C)CC1=CCCCC1)C1CCCC1	2043187902	PFAHHZWBTNDARG-PBHICJAKSA-N	249.442	4.824	0	10	BJAE	
C[C@@H](N[C@H]1CCCC2(CCC2)C1)C1CC(C)(C)C1	2043541517	SVNMQFKQDXLAJG-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCc2cc(C)ccc21	2045293109	AUWKVFVSRWWWMV-YOEHRIQHSA-N	245.410	4.541	0	10	BJAE	
CN(C[C@H]1CCC=CCCC1)[C@H]1CCC(C)(C)C1	2045307582	MBUUNKOFHBKQCN-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CCC=CCCC1)C1CCC1	2045315707	XBACZJZFNYDHHP-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CN([C@@H]1CCCC(C)(C)C1)[C@@H]1CCCC2(CC2)C1	2045523361	XRQKYJODGZWQPX-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CCCCCC1CC1	2045681037	SFHJDNKYGOLVLQ-PBHICJAKSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](NC)C1=CCCCCC1	2045734072	YRTWLVWGCNQLBO-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@H]1CC12CCCCC2	2047052678	OYGVDRIFRWXJIJ-CQSZACIVSA-N	242.362	4.538	0	10	BJAE	
CCc1ccc(CC)c(NCC2(F)CCCC2)c1	2047248951	TYFBDPJLSSWKJB-UHFFFAOYSA-N	249.373	4.506	0	10	BJAE	
C[C@H](C(=O)[C@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2049198682	RHULXUKUUOKWFQ-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@@H]2CCNC23CCCCC3)CC1	2049347251	ZXMHXAGYVQLQBL-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)[C@@H]1CCCC(C)(C)C1	2049499122	RABOHIZJCPKKHH-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC1([C@H](C[C@H]2CCC3(CC3)C2)NC)CCCC1	2049854999	NBMOPOUTONJHRO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)C[C@@H]1CCCC2(CC2)C1	2049861225	UFIRHQDZYMPOFX-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@]1(C)C=CCCC1	2049999546	DTKSJCZTHDOIIA-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
Cc1ccccc1[C@H](O)CCCC1CCCCC1	2050442194	TZYFXYWIHCHCEM-QGZVFWFLSA-N	246.394	4.779	0	10	BJAE	
CNC[C@]1(CCCCCC2CC2)CCCC12CC2	2053358833	LUSMBVMIMDXJDE-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1(C)C[C@H]1CC[C@]1(CN)CCCCC12CCC2	2053409436	FAWPDNKWFVZTEP-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CC1=C(C)[C@](N)(CC2C[C@H](C)C[C@@H](C)C2)CCC1	2055591906	LVSSAJZLBXGKBQ-PBFPGSCMSA-N	249.442	4.667	0	10	BJAE	
CC1(CC(=O)C2CC(C3CCC3)C2)CCCCC1	2056677608	ODLMKGSPUAUKPC-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](C=C2CCCCC2)NC)C1	2056875018	BXTJEOWYOZXSDP-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H]1CC[C@H](C)CC1	2056876543	RFLGHRYLHJOGEM-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C/C=C/C[C@@]1(CNC(C)(C)C)CCCCC12CC2	2057065155	ZEPDTZNAPBHKOL-RTRPANQVSA-N	249.442	4.681	0	10	BJAE	
C1CCCC(NCC2(C3CC3)CCCC2)CCC1	2057603777	KILKCLVRXTVKOO-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C=C=CC[C@@H](CC1CCC(C)(C)CC1)NCCC	2059443840	IUNYYCDWRQTELS-INIZCTEOSA-N	249.442	4.692	0	10	BJAE	
CC[C@](N)(C1=CC[C@H](C(C)(C)C)CC1)C1CCC1	2061114222	WNLRKMNCBFKNQM-SUMWQHHRSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H]2CCC[C@H]2C(C)C)CC1	2061144099	OSLIHKZCOFKZHR-IWCQGFGOSA-N	249.442	4.523	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)CC[C@@]12CCC[C@H]1C2	2061639200	RQOGIGVOZYBUAA-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC1(N)CCC(C2CCC2)CC1	2062647232	RDBVIFDWKGENPO-PXZKZTPFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1CCC1)C12CCCC1CCC2	2063831196	TUPNZDNMMBWNHX-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CC23CCC(CC2)CC3)C[C@H]1C	2065339363	LRIPZZQCRYXXOC-AKNDPVLGSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@@]3(C)C[C@H]23)cc1	2065658429	SOTRQAUDOUSMNT-ZACQAIPSSA-N	243.394	4.630	0	10	BJAE	
CC(C)NC[C@@]1(C[C@@H]2CC=CCC2)CCC1(C)C	2068232564	HBQJJUWDBBSNAH-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCNC[C@]1(CC2CCC=CCC2)CCC1(C)C	2068240702	XIQWEFMCNDCILS-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC1(C[C@@]2(CNC3CC3)CCC2(C)C)CCCC1	2068242888	JCGVCXYJKPOUHA-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)Cc1ccccc1[C@@H](N)C[C@@H](C)C(C)C	2068843327	RSASLRGIAPXOCL-PBHICJAKSA-N	247.426	4.567	0	10	BJAE	
Cc1ccc(C(=O)CCC(C(C)C)C(C)C)cc1	2068977508	NKQQTZFAEOZJBN-UHFFFAOYSA-N	246.394	4.886	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CCC2)C1(CCC)CC1	2069192321	FASLOCGYXJNEIM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@@H]2CCC=CCCC2)CC1	2069517114	ILJJVAJWJZTMIU-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@@](N)(CC)c1cc(C)c(C)cc1C	2073342527	WJYNFZCVVVFBAF-KRWDZBQOSA-N	247.426	4.756	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@]23CCCC[C@H]2C3)C1	2074115344	XFQGXXYFQZQQCT-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@]2(CCN2[C@H]2C=CCCCCC2)C1	2074800276	UFINZOSXJNBWOR-RDJZCZTQSA-N	247.426	4.530	0	10	BJAE	
CC1(C)CCCCN([C@@H]2CCC23CCCCC3)C1	2075011327	AXKHQPKNTHTQAY-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCC1(CN[C@@H]2C[C@@H]2C2CCCCCC2)CCC1	2079526356	FAOPBNDLFPAPPU-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2C[C@@H]2C(C)(C)C)cc1	2079621876	XWVMVYODLSNIGN-ZBFHGGJFSA-N	245.410	4.904	0	10	BJAE	
Cc1cccc(OC[C@H]2C[C@@H]2C2CCCC2)c1C	2079804236	PEKOYHZWRGYNRW-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CC(=O)C1CC2(CCCCC2)C1	2079865611	PBWMXAZJHZQCMU-DZGCQCFKSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](C[C@H]1C[C@H]1C1CCCC1)C1CCCCCC1	2079869262	CTPNMDSWLANOKG-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C1(C)C(C)(C)C1(C)C	2080249452	NDQSDCMGJWSJBB-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C1CCCCCCC1	2080257842	WISVCZMVWPELRZ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2081131105	BVPUPCDXYDQZFS-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)[C@H]2CC23CC3)CC(C)(C)C1	2082984030	XPQTXCFPXRHQHT-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@H](N)C1C[C@H]2CCC[C@H](C1)C2	2213287158	IWVJPRFTJJZRIB-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](N)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213291410	CCVNKOCBQIJWNW-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)CCCCCCC1CC1	2213579593	UFSDJYSYABRJGK-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C[C@H](N)C1CCCCC1	2214777680	PRMRLBPKHMMBIO-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCSc1ccccc1NCC[C@@H]1C[C@H]1CC	2215312610	LVEBFCWRGPGMKC-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C[C@@H](C)CC(C)(C)C	2215335690	AGAZKIUCWWTXGD-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@]2(C)C=CCCC2)C1	2215430698	KVCBLOZZNLGWDA-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H](C(=O)CC1(C)CC2(CCC2)C1)C(C)C	2215441483	HTIREHWHFVKLFH-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
NC[C@H]1CCC[C@H]1CCCCCCCC1CC1	2216891640	HWVLYJMJYFILJH-HZPDHXFCSA-N	237.431	4.502	0	10	BJAE	
CCCC=CCNCCCCCCCC1CC1	2216898878	TZKIQXMLDBLNRP-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CCC(C)C)CCC1(C)C	2217139111	RQXZSAHVGNIUFV-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
N[C@@H]1CC12CCC(=CCCCCCC1CC1)CC2	2218728888	XQFIPSXPOJLZTN-TZHYSIJRSA-N	247.426	4.565	0	10	BJAE	
CCCC(CCC)C(=O)c1ccnc(C(C)C)c1	2220870504	SOABRDAZXOLLHM-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)CC1(C)CC2(CCC2)C1	2221041598	TUTWBCMHGGJCFN-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@@](O)(CC2(C)CC3(CCC3)C2)CCC1	2221129243	JNXMPFZGYDITCS-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCCNCc1ccc(C2CCCCC2)cc1C	2221802736	QIDZNNREPPYVFJ-UHFFFAOYSA-N	245.410	4.542	0	10	BJAE	
Cc1ccc([C@H](N)CCCCCCCC2CC2)o1	2223108997	LQBXARPUTAMJKF-OAHLLOKOSA-N	249.398	4.729	0	10	BJAE	
CC[C@@H]1CNCCC1=CCCCCCCC1CC1	2223112099	ZMFCLFVDYUSSDQ-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1ccc(C2CCC2)cc1	2223679259	NHAVGXNMIVUCQX-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H]1CCc2cc(C)ccc2N1	2224122133	XKBGQBMKTBWSKW-FVQBIDKESA-N	243.394	4.548	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H]1CCc2cc(C)ccc2N1	2224126397	WYZXNDUFWLNXCF-YCPHGPKFSA-N	243.394	4.548	0	10	BJAE	
CC(C)CCC(=O)CC[C@H]1CCCCC12CC2	2246607104	PTOJTJVJMGENBR-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@](C)(O)CCC[C@H]1CCCCC12CC2	2246618761	XZFAXRSQWATUPT-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCNCCC=CCC[C@H]1CCC[C@@H](C)C1	2246688392	UJRULRUJPURULF-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CCCC[C@H]1C[C@@H]1C	2247119062	JKKAQFIXNQGHPT-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCCNCC(CC)(CC)C[C@@H]1CCC1(C)C	2247305900	FISFYTUUKAVNLK-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)CCC1(C)CC1	2248822375	SUTMWEIBWOFOOU-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCN[C@H](CCCCCCC2CC2)C1	2249130498	XGCZAYQLCAZYFY-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cccc(C(C)(C)C)c1	2249309671	XCLWNUDZJAMXCQ-CHWSQXEVSA-N	233.399	4.831	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(C2CC2)cc1	2250383089	WBAJEXWEAGGGOT-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H]1CCCC(C)(C)CC1	2250384738	COBDUEOJFHAWOD-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCN(CC[C@H](C)CCCC(C)C)CC1CC1	2250520236	QWEBDZQBHZIGKD-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCC[C@@H]1[C@H](N)C(C)(C)CCC1(C)C	2251702871	UCEFTVIPVDBRAY-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)c2ccc3ccsc3c2)C1	2253094449	SOVXAYOMFAMPGU-ZYHUDNBSSA-N	244.359	4.520	0	10	BJAE	
CC[C@@H]1C[C@@H](CC[C@H]2CCCCC23CC3)CCN1	2253849706	CTJRLDAVBVOHOS-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
NCC[C@@H]1CC[C@H](CC[C@@H]2CCCCC23CC3)C1	2253886971	QQBAWOKUQLTQGX-PMPSAXMXSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2=C[C@@H](N)CC(C)(C)C2)C1	2253923193	PZTTYXHZSHKXKD-IIAWOOMASA-N	249.442	4.667	0	10	BJAE	
CN[C@H]1CCCCC[C@H]1CC1CC2(CCCC2)C1	2254113143	MOWHLYJNQSUZNU-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2CCC2(C)C)CC=CCC1	2254829962	GKNKBMPPYOHAQV-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
N[C@]1(CC2=CCCCC2)CC[C@H]2CCCC[C@@H]2C1	2255096543	YBDZKZCQJKCXGF-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
CC1(C)C[C@](C)(CCC[C@@H]2CCCC23CC3)CN1	2255256706	QXQIUIGCQFWVDO-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(OCCCCC[C@@H]2C[C@H]2C)c(C)c1	2257246117	DLOJQWRYPDGYJR-GDBMZVCRSA-N	246.394	4.899	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CC12CCCCC2	2257246180	FAKVXUAJCQIJTG-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC1CC([C@H](C)Nc2cccc(C(C)(C)C)c2)C1	2257903512	DADWARCMKKWEHZ-MOKVOYLWSA-N	245.410	4.831	0	10	BJAE	
C[C@H](C=C1[C@H]2CCC[C@@H]1C[C@@H](N)C2)CC(C)(C)C	2258030140	YCOYLAWCMHCAOC-APIJFGDWSA-N	249.442	4.523	0	10	BJAE	
C[C@@]1(CN)CCCC1=CCCCCCCC1CC1	2258862903	YAUKDSXBGVSRQB-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
CC1(C)CC(CNc2cc(C3CC3)ccc2F)C1	2259114055	XSOZOGDBACEYAD-UHFFFAOYSA-N	247.357	4.551	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@]12CCC[C@@H]1CC2	2260585702	CQQJPCJLLWAMPB-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
C[C@@H](NC[C@@]12CCCC[C@H]1CC2)C1CCCCC1	2260610108	BPRKYMPAGXBGHW-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H]2CCNc3ccc(F)cc32)CC1	2261347911	JASBQFGXFUVWCJ-GFCCVEGCSA-N	247.357	4.695	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1=O	2261437352	ZNPGXEDLZYAZHF-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CC[C@@H]1C[C@@H]1CC	2298125054	ICKFEQWPIAKLAM-XUWVNRHRSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](CC1CCC1)n1ccc2cc(F)ccc21	2298935723	KLCDRTLEEYIQBS-NSHDSACASA-N	231.314	4.532	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CCC(CC)CC	2300678945	OPLHCBZWLWEQSN-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(=CCC(C)(C)CC(=O)O)CCCC(C)C	2300913487	GYUWIDDBHLOUKF-UHFFFAOYSA-N	240.387	4.650	0	10	BJAE	
CC(=CC[C@H](N)C[C@H]1C[C@@H]1C)CCCC(C)C	2300914245	PDFVWPWXVBHPEJ-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC=C(C)CC)[C@H]1CC	2300927549	WLLSEPTVKTZWPY-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(CC2CCCCCC2)C1	2301144293	CAVPNYRIZYFEPK-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CCC1(C)CC(CO)(CC2CCCCCC2)C1	2301147496	KLMBKRFCCMYUMF-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CC(C)[C@H](C)Sc1ccc(C=O)c(C2CC2)c1	2301283684	SCIJAXITAQMRDN-NSHDSACASA-N	248.391	4.513	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)n1ccc2cc(F)ccc21	2301831765	GDCDWZGVRZACJU-VXGBXAGGSA-N	233.330	4.634	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C1(N)CCCCCCCC1	2301899269	HFEWDTNOSPSEAE-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCN([C@H](C)[C@@H](C)C(C)C)[C@@H]1CCCC1(C)C	2301978926	RVOCCYRWPOKNIK-RRFJBIMHSA-N	239.447	4.568	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CCC[C@H]2C[C@H]2C)C1	2302613376	PYBDKDVEBXHFAG-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCC(C)=C(C)C1	2303461736	MBOLUBLSIJWWGT-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303514057	WCTYBKMBSMWTTO-RWMBFGLXSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](CCC)CCC1=O	2307801541	NSDWFHMMSCULNQ-RRFJBIMHSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H]1CCCCC12CC2	2307896558	VPPVLKZJVVBCTD-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(CC)CNCC(C)C	2307896655	WKWRZRKDMMAGKB-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309165530	KKYUHPQOSBOYDJ-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CCC[C@H]1C)c1ccco1	2309438760	PWNDRWAYLLUSAS-ILXRZTDVSA-N	249.398	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](C[C@@H]1CCC=CCCC1)NC	2310970632	BQSMSANXZRWBMV-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312939843	KNTPIVMCNJZZGN-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1CC[C@@](N)(C[C@@]23CCCC[C@@H]2CC3)C1	2313353019	HDKVCGFSYLVVCX-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cc(C)c(C)cc1C	2316251337	HYIRZMBFHHLSRA-QGZVFWFLSA-N	247.426	4.828	0	10	BJAE	
CC=CC[C@H](NCC)[C@H]1C[C@H]1C1CCCCCC1	2316511777	WMGPBWZVMCCFIY-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC1CCCCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316697077	JSGFXEWHXDWXFW-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1C[C@H]2C[C@H]1CC21CC1	2317037039	MGJWRBWVWBGRIX-ZJIFWQFVSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317123002	ZYAJMJGWHRPLAY-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCCCC1=CCCCC1	2318528972	KWJURZHCPNWRFB-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)CCC1CCC1	2318588329	YTABSGBIKFVKRW-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
Cc1cc(F)ccc1OCCCC1=CCCCC1	2318597305	JJXKRXWUMQQFBH-UHFFFAOYSA-N	248.341	4.794	0	10	BJAE	
CC[C@@](N)(C[C@H]1CCC(C)=C(C)C1)C1CCCC1	2320338929	ZNTRZRFFNDSDJI-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2C[C@H]2C)CCC(C)=C(C)C1	2320395564	WXVQSYNSSIBAMS-IWCQGFGOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@](C)(N[C@H](CC2CC2)C2CC2)C1	2320692464	OOQDCKWTKLKGMR-NVXWUHKLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](CCNC23CCC(CC2)CC3)C1	2321542602	QKLXVUPTPAGLTO-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC1CC(C)(CNc2cccc(C(C)C)c2F)C1	2327780464	LIOWBPFSRGYMRG-UHFFFAOYSA-N	249.373	4.797	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@@H]2C=CCCC2)c1	2327793284	AMHBQCZFJCANAY-CQSZACIVSA-N	242.362	4.657	0	10	BJAE	
CCC[C@H](CC)CN1C[C@@H](C)Cc2ccccc21	2328100039	AYGHXQLDZRKWNC-GJZGRUSLSA-N	245.410	4.512	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1cc(C)ccc1C	20482626	DTDPZDPCOGFCBY-GDBMZVCRSA-N	233.399	4.520	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(F)c(F)c1	21054256	VDZOHADLRLTHGK-WDEREUQCSA-N	241.325	4.592	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N[C@@H](C)c1ccc(C(C)C)cc1	37044316	MRTZHDMMXMMSMP-KFWWJZLASA-N	247.426	4.895	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)c1cccc(C)c1	37267268	PDGWJQMMWVEWRL-LSDHHAIUSA-N	233.399	4.614	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)CCCC	37318101	SBNKULMBFJFWLL-ZIAGYGMSSA-N	213.409	4.514	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](CC)CCCC	68986254	JEQCAKZCLUKUNG-KGLIPLIRSA-N	213.409	4.514	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CCC)CNC(C)C	71127755	UIOATAXSGXTVID-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](N[C@@H](C)c2cc(C)ccc2C)C1	83829007	BBIDOZQACDGVIK-JYJNAYRXSA-N	245.410	4.533	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNc2ccccc2Cl)C1	84340501	LYOYAUKKVKKUSK-VXGBXAGGSA-N	237.774	4.578	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)[C@@H]1CCCC[C@@H]1CC	84399900	LIKUGBCDHYUHSV-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)[C@@H]1CCCC[C@@H]1CC	84399902	LIKUGBCDHYUHSV-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)C1CCCCCC1	87947027	ICJWTRZRBJZADM-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)CCC2CC2)CC1	88491692	XSFBTNVAOHSULO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1cc(C)cc(F)c1	91510061	GICACWVGEXWTTL-DOMZBBRYSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@]1(CC)CCCCCN1	91874385	JGAVETOQMZXJJF-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCC1([C@@H](NC)c2ccc(C)c(C)c2)CCCC1	94899895	RZRLCATUYYQYQA-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)C1(CC)CCCC1	94900284	OLHVMQSNXIGITL-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCCC[C@H]1C	109900246	IVFJROHIKHYTGX-DOMZBBRYSA-N	231.383	4.548	0	10	BJAE	
CCc1ccc([C@H](CC)NCC(CC)CC)cc1	124846841	BZTVJCJBUSPVQR-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC(C)(C)C2)cc1	129241011	YTNHEMZHYNDEBH-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@H]1CC(CC)CC	150106833	UJONYAIKLWGYRS-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC(C)NC[C@@H]1CCCC[C@@H]1CCC(C)(C)C	155621866	HVYRKJSULKALEI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H]1CCCCC[C@H]1CNCC(C)C	155868124	NGMGMJJEXZKSBD-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H]1C[C@H](CC)CC[C@@H]1CNCCC	156060661	CLXOUHYFAUXSLG-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@@H](O)c1ccc(C(C)(C)C)s1	165661003	FTENGBHFWPMGCH-LBPRGKRZSA-N	240.412	4.515	0	10	BJAE	
CC(C)[C@]1(C2CCCCCC2)CCCCCN1	167807608	YSCPXTNMLSBYBP-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H](C)CCC	168019998	KQMHEBJTKWGVQB-QWHCGFSZSA-N	212.377	4.598	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C2=CCCCCC2)cc1	203412242	YNAJEZVMTFZAHV-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2CCCCC2)CC1	203540060	SDKUXMOGVTUIJB-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCC[C@@H](CC)C1	226929044	NERYFJSDAOTHBB-KFWWJZLASA-N	225.420	4.514	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1NC(C)(C)CC(C)(C)C	235296812	IIIUVDGBVNIVMV-CHWSQXEVSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(C)c(C(=O)C2CCCCCC2)c(F)c1	235819355	DRTUSISMLYKDED-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCCC(C)(C)C	300858163	LTVINOHCXHXDSZ-UONOGXRCSA-N	227.436	4.747	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1sccc1Cl	300972651	SHCMJDXJMJXBNN-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)c1ccc(C)c(C)c1	302312175	GAWBLLGTRKWFFT-WMLDXEAASA-N	247.426	4.780	0	10	BJAE	
COc1ccc(C)cc1N[C@@H](C)CCC(C)(C)C	302525997	QCYDIJUFBDVYPY-ZDUSSCGKSA-N	249.398	4.630	0	10	BJAE	
CCC1([C@H](O)CCC2CCCCC2)CCCC1	305901642	BFDVICXOWLJQEJ-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](N[C@@H](CC)C1CCCCC1)C1CC1	306073854	XZVYWRFNNSCWLM-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CSc1csc2c(Cl)cc(C)cc12	307301837	LYYQKVWJLVWCRQ-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Clc1sccc1N[C@@H]1CCc2ccccc21	309526435	UZJLFBXOUVNAQM-LLVKDONJSA-N	249.766	4.501	0	10	BJAE	
CCC1(C[C@@H](N)C[C@H](C)CC(C)(C)C)CCC1	310168395	SSCSWJMYMDELLD-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@](O)(CC)c1cccc(C)c1	310235536	RGQOAKWVJNRQST-MRXNPFEDSA-N	234.383	4.563	0	10	BJAE	
Cc1cc(C)c(NC[C@@H](C)C(C)(C)C)c(C)c1	310259625	CDCITPZFQAUJQI-CQSZACIVSA-N	233.399	4.706	0	10	BJAE	
CC[C@H](CNC(C)C)C[C@H](C)C1CCCCC1	310455549	CTKSZWIGKYHQPK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)CCC1CCCCC1	310555170	HWOGELYLZVIKTI-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](N[C@H](C)c1cc(C)ccc1C)C1CC1	310681008	RUGMGKMLVUCBOS-PBHICJAKSA-N	245.410	4.533	0	10	BJAE	
CC1CCC(C[C@@H](C)C(=O)c2ccccc2)CC1	310987924	KTXKVXXNXUKRGM-SHARSMKWSA-N	244.378	4.722	0	10	BJAE	
CCC[C@@H](N[C@@H](C1CCC1)C1CC1)C1CCCC1	313468812	MLHKZVJTIDQLAI-SJORKVTESA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC(C)C)CC=CCC1	317618395	TZXIKIWUWIWHFG-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@]1([C@H](C)CC)CCC[C@H](CC)C1	318455253	QDSFTZCHDAMENX-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc([C@@H](O)CC2CCC(C)CC2)cc1C	380897664	MDLIXEIEYQMQDC-QOJXUVEWSA-N	246.394	4.553	0	10	BJAE	
CC[C@H]1CC[C@](N)(CCCCCC(C)C)C1	383246163	VUUBJDOQTGEKEN-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCCC1([C@H](O)C[C@H](C)C2CCCCC2)CC1	383729920	ZZLHVLISRAOFFQ-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)[C@@H](C)C(C)C	384033947	TXJPUARSUOYYFB-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1[C@H](CC(C)(C)C)NCC	384456036	BHTIZSLDLXXCFF-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CC[C@H](NCC1(C)CCCC1)C1CCCCC1	393838942	QQKGDUWTULEVBJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC/C(=C\[C@@H](C)C1CCCCC1)CNC(C)C	393847335	RIRGFFKUNSJENR-XDPMZMSMSA-N	237.431	4.537	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@H]2CC)cc1C	393939073	VRHMXVZOYGKLQI-ZBFHGGJFSA-N	231.383	4.548	0	10	BJAE	
CCc1cc2c(CC)ccc(C(F)F)c2s1	396170024	SLSKBCQFEKCWJK-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1c(C)cc2sccc2c1C(F)(F)F	396299704	HHJDRFIHGKKMFJ-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C[C@H]1CC=CCC1	402231594	YAODWHPXCNFLFZ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
Cc1cnc(C)c(NC(CC(C)C)CC(C)C)c1	404667066	ZGSQLZFTBOOAQI-UHFFFAOYSA-N	248.414	4.571	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@H](C)C1CC1	688914173	KMFJAZHOBUSUJT-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CCCCC[C@]1(O)CCCCC[C@@H]1C(C)C	691136122	QETUMSPYCUADEN-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCC/C=C1/[C@@H]2CCCN[C@H]2C1(C)C	693677819	WFSFZANQHIFJNK-MNNNFWIMSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC(=O)[C@@H](C)c1cc2ccccc2s1	695064306	QCGQDLBODFDCME-LLVKDONJSA-N	246.375	4.620	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CCC12CCCCC2	695152761	LPHBDFBNMCCGGX-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCc1ccc(CC)c([C@@H](N)CC(C)(C)CC)c1	696559625	BCSSZDMIDANJQT-INIZCTEOSA-N	247.426	4.638	0	10	BJAE	
CCC(C)(C)CCOc1ccc(Cl)c(F)c1	696800492	WSNZHIAPBGNTDT-UHFFFAOYSA-N	244.737	4.684	0	10	BJAE	
CCCN[C@H](CCC)[C@@]1(C)CC[C@H](C)C1(C)C	699096666	NMFUUSNEJBJGNP-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC1CCCCCC1	701179989	JOGVQIXQFGGELO-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
C1=C[C@H](N[C@H]2CCC23CCCCC3)CCCCC1	703416520	BZOBJARMOOHUAQ-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC[C@H](C)C1)C1CCCC1	704914863	PXUZRSARPZYFSA-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](COc1cccc2sccc12)C1CCC1	705008375	BKPLQJFHNWCSBR-NSHDSACASA-N	246.375	4.716	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1ccccc1F	709210911	IJFMELAKJXIGET-JSGCOSHPSA-N	235.346	4.597	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC(C)(C)CC2)cs1	710757489	GHMRTPRYPNTGBL-GFCCVEGCSA-N	237.412	4.827	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)C[C@H](C)C(C)(C)C	711157419	KTVCWJKVWPDHMI-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC1(C(=O)C[C@@H](C)C(C)(C)C)CCCC1	711193017	QACOQISUSZALBW-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)CC1CCCC1	712512897	BFJZWRJSXRFTBN-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
C=C/C=C\CCCc1cccc(C(F)(F)F)c1	713641958	BURFCAQRZHIZHX-ARJAWSKDSA-N	240.268	4.770	0	10	BJAE	
C=C/C=C/CC[C@H](CC1CCCCCC1)NCC	713760182	GBAWPTQVKVBMQD-FUTAKVPZSA-N	249.442	4.847	0	10	BJAE	
c1ccc(NC[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1	714421784	BUBTUIRIYVSJSX-VYDXJSESSA-N	243.394	4.705	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1NC1CCC=CCC1	718051405	HELFAABJRORHAL-HZPDHXFCSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)c1cc(C)co1	718394660	JYXWMZICHCHDPC-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1coc2ccccc12	718747801	MBESGTWMHHIAQR-HNNXBMFYSA-N	244.334	4.603	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H]1CCCCCC1(C)C	719217602	DQMGYWFIOHZGSQ-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
CC/C(=C/Br)CC1CCCCC1	720418464	YJCBQRJQVTUGJD-KTKRTIGZSA-N	231.177	4.646	0	10	BJAE	
CC1(C)CC(CC2(CN)CCCCCCC2)C1	723578042	DBFBPUTVTMGJIY-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
C1=C(CSc2ccc3c(c2)CCCC3)CCC1	1166378618	SMJHDZNKWAVYTE-UHFFFAOYSA-N	244.403	4.768	0	10	BJAE	
CCC(CC)(CC)S[C@H]1CCOC(C)(C)C1	1656451512	BVHVITDTKNSFSP-LBPRGKRZSA-N	244.444	4.646	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@H]1CCC[C@@H](C)C1	1876996701	ZRZBKSAEFVWRMJ-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](N)(CCC(CC)CC)C(C)(C)C	1900714281	UTCLGLSQSOOUTA-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CC=CCCCCCCCC(F)(F)F	1901151887	RVMAQXUPJHCDKZ-UHFFFAOYSA-N	208.267	4.856	0	10	BJAE	
CC[C@H](C)CC(=O)CC[C@H]1CCC(C)(C)C1	1903417601	MELBFADCNUXWQS-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
C=CC=CCC[C@H](N)c1ccccc1C(C)(C)C	1912110500	SHXJDOJPYJBVRI-INIZCTEOSA-N	243.394	4.506	0	10	BJAE	
C[C@@H](CC1(O)CC2(CCCCC2)C1)C(C)(C)C	1912708529	KPMQNTTTZKEBFJ-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCCC=CCNc1ccccc1SCC	1914667181	PHPTZBGSXNCWGQ-UHFFFAOYSA-N	235.396	4.567	0	10	BJAE	
Cc1ccc([C@@](C)(O)CCCC(C)(C)C)c(C)c1	1919914002	IYUROCZRMWOACH-KRWDZBQOSA-N	248.410	4.727	0	10	BJAE	
CC[C@](N)(c1ccc(C)cc1)[C@@H](C)CCC(C)C	1920492046	SMOWFLLXJMUTKP-DOTOQJQBSA-N	247.426	4.631	0	10	BJAE	
CCCCc1ccc(C(=O)CC2CC(C)C2)cc1	1925131697	PMOMPCDZIDMVGB-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1cc(Cl)cs1	1928725433	WPDLCTBHHPVYFW-BXKDBHETSA-N	246.803	4.507	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1ccsc1Cl	1933795500	ANAFVXIMMIPLCW-JTQLQIEISA-N	245.819	4.618	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1CCC=CCC1	1936554023	PDTQJAYSMZPESN-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](N)CC[C@@H](C)C1CCCCC1	1939114540	YXPBGFASUXWYJS-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@@]1(CO)CCC[C@@H](C)CC1	1939901067	XZXWVIKNSPMQSF-HUUCEWRRSA-N	226.404	4.536	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1(C)CCCCC1	1940411595	XDWLYRWMKSEOOM-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)C[C@H](CCC[C@@H]1CC1(C)C)NC	1940869620	NCEWHPOKXDRBJQ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H](CC(C)C)C(C)C	1941268050	ZZSQFNXNZLFWKC-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(NCCCCCC2CC2)c1F	1941576718	KOBLHMBXFIIYCR-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CC1CCC(C(=O)CCCCCC2CC2)CC1	1941585673	HCKREZUVQGTXKN-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@H](C)CC(C)C	1941596474	MMMOBLFHGMUHCS-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC1CCC=CCC1)NCC	1941795869	SLQBQLHOIMXUHM-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(F)c1cccc(N)c1	1942657205	DDGZLCLOGYBMJR-WFASDCNBSA-N	237.362	4.526	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)[C@H](CC(C)C)C(C)C	1942661150	VQKMWBRNJMHCLU-XHSDSOJGSA-N	241.463	4.704	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@H](C)C2CC2)cc1	1944500393	ZUVUWHCKMAIRGV-OLZOCXBDSA-N	231.383	4.658	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)c1csc2ccccc12	1945749274	ACBDVMGGJQZHJJ-GFCCVEGCSA-N	244.359	4.520	0	10	BJAE	
CC[C@H](C(=O)c1cccc2sccc12)C(C)C	1945963977	YZLFSOHDTNHDOH-NSHDSACASA-N	246.375	4.766	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CC1(C)CCCCC1	1947466835	ZWUBKFBSIMWGDJ-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@H]1C=CCCC1)NC	1947584947	BVMLAMWSTPBHIQ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CC(CNC(C)(C)C)(CC(C)C)C1	1948410859	IHPIHLCWLFUNDP-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C[C@H](C)C(F)F)NCCC	1948536909	GTODNFSFOOBNPM-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC(C)CC1(C(=O)[C@H]2CC[C@@H](C)C2)CCCC1	1949505122	IUODCKIVXRWDBH-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@H]1CCCC(C)(C)CC1	1950920174	SPXLQLFFNHXHCM-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@]1(CNC2CC2)CCC[C@H](C)CC1	1950929031	DAGWRDVOGGAVJV-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cc(C)c(Cl)s1	1960262080	FYVLMLMYKOBNIB-CBAPKCEASA-N	244.787	4.575	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc2cnccc2c1	1963228919	NBTRUVWTOUGRRT-HNNXBMFYSA-N	242.366	4.616	0	10	BJAE	
CCC(CC)CN1CCCC[C@H]1c1ccc(C)o1	1964147988	BOOCIMSIDOKWIT-HNNXBMFYSA-N	249.398	4.551	0	10	BJAE	
Cc1ccc(F)cc1NC1CC(C)(C)C(C)(C)C1	1968312538	MCYJASAWHOOFGJ-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCCC1CCC(CN(CC)C(C)(C)C)CC1	1968588080	TVLAMHXBMJFCQQ-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
Cc1cc(F)cc(NCC2CC(C(C)(C)C)C2)c1	1968589450	ZFFSDLHVTRVKAP-UHFFFAOYSA-N	249.373	4.618	0	10	BJAE	
CCCC1CCC(CN(C)[C@@H](C)C(C)C)CC1	1968687464	FKIBAKQIKQVBJQ-FHERZECASA-N	239.447	4.569	0	10	BJAE	
CCCCC1CC(Nc2cccc(C)c2F)C1	1969469850	GUEKBLYXQHCDIY-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CC[C@H](C)N(CC)Cc1cc2ccccc2s1	1969518924	RTEOPVMRKJITOQ-LBPRGKRZSA-N	247.407	4.522	0	10	BJAE	
C[C@H](N[C@H]1CCCC(C)(C)C1)C1CC2(CCC2)C1	1969844879	YMTQQQYRZFFXIC-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](N)(CC)C1=CCCCCCC1	1978588830	XWJQNXSLWXQMIC-HNNXBMFYSA-N	223.404	4.565	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCCCCC1=O	1980350445	GUKNDJWDXYFUAF-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
Cc1cc(O[C@H]2CC[C@H](C)C2)c(C)cc1Cl	1989926363	LZSMKJKJJYHKPT-CABZTGNLSA-N	238.758	4.524	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@H]1CCCC(C)(C)C1	1994026224	ODBZEBSFPVRBLV-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
Cc1cc2occ(CC(C)C)c2c(C)c1Cl	1995461998	RGZQTUJPWHYWLC-UHFFFAOYSA-N	236.742	4.902	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C(C)(CC)CC)CC1	1997118712	ZMBONUJMLXCPRJ-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@@H]1CC=CCC1	1997546394	LPJJYDTVHDOXHH-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](C)(CNC(C)C)[C@@H]1CCCC(C)(C)C1	2000164639	YWEBKWGXFHVLPI-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@@H]1CCC[C@H](C)C1	2000517383	CLLOIELSUJNZEI-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)[C@H]1CCCC(C)(C)C1	2000911786	RTMQQJBQOMWCHU-KGLIPLIRSA-N	239.447	4.712	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)CCC(C)(C)C1CC1	2000912566	CEZBPBFOMJQMQA-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@H]1CC12CCCCC2	2001224431	IIQZBXIKCDONSA-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC([C@@](C)(O)CCC2CCC2)CC1	2002922938	DGYLBPPVXSCSTR-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC([C@@](C)(N)[C@H](C)CCC)CC1	2002924944	MUWMKMLWYHRIGO-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@]1(CNCC(C)C)CCCC(C)(C)C1	2002983464	MYERRVPAIVMAMZ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
O[C@H]1CCCCCC[C@@H]1CCC1=CCCCC1	2003100219	QAOCGCVYRHBXEI-CVEARBPZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CC1(C)CCCC1	2003175254	JMSGVTMSVINSIC-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@]1(C)C=CCCC1	2003326659	OHDJZJXYPJOSQW-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)C[C@H](NC)C1(C)CCC(C)CC1	2007693602	RELHKIXNMGALDY-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)C1(N)CCCCCCCCCCC1	2007852197	AWBOXSVDUMKNOI-UHFFFAOYSA-N	237.431	4.955	0	10	BJAE	
CC(C)(C)CCCNc1ccc2sncc2c1	2008091028	LIVTZEOLIUCYTJ-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CC=CCCCc1ccc(OC2CCC2)cc1	2009592659	ZNIRSCRLPMCNNF-UHFFFAOYSA-N	230.351	4.517	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H](C)C1CCC1	2009629523	SUIUFXBOYKYCGG-UKWDMRDTSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@@H](O)CC1=CC[C@@H](C(C)(C)C)CC1	2010711631	BZUOMGIBJMZZGU-KGLIPLIRSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)C[C@H](C)C(C)(C)C)CC1	2010763665	LUAGIMYOMVBLRM-GZBFAFLISA-N	237.431	4.523	0	10	BJAE	
CC(C)c1ccc(-c2cscc2[C@H](C)N)cc1	2013606837	IOSNTAPXKBNCPY-NSHDSACASA-N	245.391	4.558	0	10	BJAE	
CCC[C@H](C)[C@@H](N)c1sc2ccccc2c1C	2014293204	SDOZSFYHNVEYOZ-IINYFYTJSA-N	247.407	4.646	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@H]1CCC1(C)C	2014862635	RDVWHRHLVQYBDT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(N)[C@H]1CCC1(C)C	2014876075	FVHVFMNETATYFD-DVOMOZLQSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)C(C)(C)C1CCCCC1	2015280644	HKRVIOAPCFALNV-HIFRSBDPSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](CCC(C)(C)C)CC(C(C)C)C(C)C	2015290852	NPIZPEVIWSIJAM-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC[C@@](C)(O)C1CCCC1)C(C)C	2015336461	QPHCWGQCVMYLIW-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CCCCC1CCC(N)(C[C@]2(C)C[C@H]2C)CC1	2016465729	GBEVLGYFBMXYFI-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)CC1(C(C)C)CCC1	2017122063	WRMWOMQIUVIZFE-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CC[C@H](CC2(C(C)(C)C)CCC2)C(=O)C1	2017125203	ZILMJPBSQVFLMP-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C1(C(=O)CCCC2CCC2)CCC1	2017132224	APWUWPCMNRTORB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCNCC(C)(C)CCC1(C(C)(C)C)CCC1	2017139950	BKTSNRKQGZPLGZ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H]1CCCC(C)(C)C1	2017478826	WBPDUGNTUJOOQH-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCCN[C@]1(C)CCCC(C)(C)C1	2017619850	UROFVNRJNSOPCB-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC)[C@H](C)CC1CCC(CC)CC1	2017722562	QLQHNBZIIXQCEU-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CC[C@H]2CCCCN2)CC1	2017737232	NGGAKEKAIBRTKP-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)CC2CCC2)CC1	2017776469	PHHIHWCIVBUFLI-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC[C@@]1(C)NCC1CCCCCCC1	2017868802	OLMOSQDNGCXEJV-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCC(F)(F)CCC1=O	2018854269	RIWPAWZBZNENOC-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC1(C[C@H](O)C[C@@H](C)CC(C)(C)C)CC1	2018967133	IJZWQTQFVSDECU-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCC1(C[C@@H](O)c2csc3ccccc23)CC1	2018971243	XKJNAAFJRZLGIK-CYBMUJFWSA-N	246.375	4.515	0	10	BJAE	
CCCC1(C[C@@]2(CN)CCCCC2(C)C)CC1	2018984380	GIVQBDITGFZDTM-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@@H](C)[C@H](C)CC)CC1	2019388702	ITFGYRRQYSCRDR-QXSJWSMHSA-N	239.447	4.712	0	10	BJAE	
CCC(C)(C)CC[C@@H](CCCC(C)(F)F)NC	2023311026	YIGLTBFBODSMQQ-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
Cc1cc(F)cc2cc([C@@H]3CCC3(C)C)[nH]c12	2024284488	BLCFMUMQTZDPMN-LBPRGKRZSA-N	231.314	4.519	0	10	BJAE	
Cc1ccc([C@@H](N)CCC[C@H]2CC2(C)C)c(C)c1	2027832459	LLEQODZNCMMXKT-HOCLYGCPSA-N	245.410	4.520	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)CCCC1(C)CC1	2027854061	BGFOVPRPSDPILL-CVEARBPZSA-N	246.394	4.512	0	10	BJAE	
C[C@@H](C[C@H](C)C1CCCCC1)c1ccc(N)cc1	2027941446	RYTPCHFXJKMUDR-KBPBESRZSA-N	245.410	4.979	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1c(C)c(C)cc(C)c1C	2028233808	ZVCDRESTHSFTFX-WBVHZDCISA-N	248.410	4.636	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCCCCC2CC2)c1	2028629812	CXOKRJCOQQCWNA-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C1=CCCCCCC1	2028749886	BAXJJCOHJUZJPU-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CC(CC(=O)C23CCC(CC2)C3)C[C@@H](C)C1	2031830630	ZGDKYVRFMGUUFU-YRFCHQJDSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H]1CCC(C)(C)C1	2033400183	IOXRWHHNIATQBU-XJKSGUPXSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2033558393	KOTNOTIHMUKDEQ-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)C1(CC)CCCC1	2035599917	NXBDABJKGDEOSK-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@@H](C)C1CCC1	2035600867	QNUBFPKFSMZMDS-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(CN[C@@H]2CCCCC23CCC3)C1	2036486531	FMQBXGIXQFADMR-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@](N)(CCCC1CCC1)C2	2036661457	PVOJVRKNAHCBNF-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)C[C@H](C)c1ccccc1	2037210207	UFBDAPVMFDHQDI-ZOBUZTSGSA-N	247.426	4.580	0	10	BJAE	
CN[C@H](CC1CC(C)(C)C1)C[C@H]1C=CCCCC1	2037970577	SSOJMTIUYXIMSY-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC([C@](C)(N)CC2CC3(CC3)C2)CC1	2040684358	SACYKRVPNLAERL-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2[C@H]3CCC[C@H]32)CC1	2041385940	GSVUQIPKAKFFOQ-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)C1(C)CC=CC1	2042020392	WSBMCCLGWMULAI-MRXNPFEDSA-N	247.426	4.601	0	10	BJAE	
CCNC[C@@]1(C2CCC(CC)CC2)CC=CCC1	2042089263	NLBOPOSLWHPVRG-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C[C@@H]1C[C@H]1C1CC1	2045315316	SIKHDHXSYAGEOF-UNEWFSDZSA-N	246.394	4.518	0	10	BJAE	
CN[C@@H](CCC1CCC1)C[C@H]1CCC=CCCC1	2045322401	DZIPCWAZQOQWIT-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC=C[C@@]1(O)C[C@H]1CCC=CCCC1	2045335649	UYOMVZSIOYXFQF-DOTOQJQBSA-N	248.410	4.620	0	10	BJAE	
CC1(C)CC[C@H](N2CCC3(CCCCC3)CC2)C1	2046576764	GWSJRPRIYRKNFK-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
N[C@H](CCCC1CC1)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047411009	WZXLMKJFHSHJCI-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1[C@H]2CCCCC[C@H]21	2048385790	PQVIWYLAQBBAPG-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CCCC(=O)CCCc1ccc2ccccc2c1	2049348015	KPVWMVBAFCMDGX-UHFFFAOYSA-N	240.346	4.532	0	10	BJAE	
C[C@H](C[C@@H]1CCCC2(CC2)C1)C[C@@H]1CCCCN1	2049859202	QGHSCXBDBYJQJM-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C1(C2CCC2)CC1	2051908714	NQEUJJFAEYIWKR-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@@H]1CCCCC12CC2	2053412684	QCGCPRFKODIGIM-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)C1(C)CCC(C)CC1	2056560197	ZIEDODLEXBKPOI-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C2(C)CCC(C)CC2)c1	2056562578	NIQUPUNALJWMSW-PDOTXMHQSA-N	245.410	4.520	0	10	BJAE	
CC[C@]1(CC2CC(C3CCC3)C2)CCCCCN1	2056645970	QGQQSHZRMPTLBY-BDVYOWHSSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCC=CCC1)C1CC(C2CCC2)C1	2056678921	DMNIFTRWMHNMQB-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](C1CCCCC1)C1(C2CC2)CCCC1	2057593050	BFTUOGJRSDHSSR-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@@H]2CC=CCC2)[C@H]1CC	2058733383	DWTYBPYDSIZHIE-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)CC[C@@H]1C[C@H]1C=CCC1	2058986595	CIZWSWCXRVBEIT-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C2=CCC(C)(C)CC2)CC1	2061112460	GJXAHIOVMOQXPK-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)CC1CC(=C2CCC2)C1	2061701730	NENUQICUGFLIDU-DYVFJYSZSA-N	249.442	4.667	0	10	BJAE	
C[C@H](C[C@H](N)CC1CC(=C2CC2)C1)CC(C)(C)C	2061729926	BWLJZGKQTKYYAJ-WBMJQRKESA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)CCC2(CCCCC2)C1	2062650826	GSXZBSJNDKNMSW-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)C3CCCCC3)C2)C1	2063211750	SPFWFNVNNNGWJX-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
N[C@H]1C[C@H](CCC2CCCCC2)CC2(CCC2)C1	2063642915	RNEATLAIRSIVKH-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC([C@@H]2CC(=O)CC3(CCC3)C2)CC1	2063721603	SDJBFMCBLQYRDK-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CC3(C2)CC3(C)C)CC1	2064110059	XCODZGZQVSHTJS-LXTOLFJKSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CC12CCC(CC1)C2)C1CCCCCCC1	2065273234	SAVCLYGIFFNTMR-WIHSUSGWSA-N	249.442	4.645	0	10	BJAE	
CCc1ccc(N[C@@H](C)C2(C)CCCC2)cc1C	2067510531	WNYWXEWBTLAFNX-AWEZNQCLSA-N	245.410	4.938	0	10	BJAE	
CCCOc1cccc(NC[C@@H](CC)C(C)C)c1	2070269799	KYJIUSOYFOXKPM-CQSZACIVSA-N	249.398	4.570	0	10	BJAE	
C[C@H](NC1(C(C)(C)C)CCC1)[C@@]12CCCC[C@@H]1C2	2071881233	LNSHMUUQIBVRLH-LZWOXQAQSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)C=C(C)CCC2)CC1	2072878085	JKIUPCORJTYKGC-JCYILVPMSA-N	249.442	4.811	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC1CC(=C2CC2)C1	2073413471	RVAFVIUBVSTUBL-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
N[C@@H](CCC(C1CC1)C1CC1)CC1CCCCC1	2075823013	HRNBUYZRBCBWQX-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(Nc2ccccc2C2CC2)CC1	2077261718	CQYUUAJRFATLSF-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
c1ccc(C2CC2)c(NC2CC3(CCCC3)C2)c1	2077262091	LQVLIEFHPZWRQX-UHFFFAOYSA-N	241.378	4.699	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1Nc1ccc2ccccc2c1	2079521322	BTIWCNPUWJABEE-CVEARBPZSA-N	239.362	4.686	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@@H]1C[C@@H]1C1CCCC1	2079849887	BMURCCXKKVXPLP-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCC[C@@H](C)[C@H]1C	2081947842	XFLDTSALHKDHER-LALPHHSUSA-N	249.373	4.625	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1C=CCCCCC1	2081953565	SBRALGNUHDLORR-HNNXBMFYSA-N	247.357	4.689	0	10	BJAE	
CC(=C[C@@H]1CCCC(C)(C)C1)[C@H]1CC[C@@H](N)CC1	2082986660	NEJKLIFLMWTZAZ-HRCADAONSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)CC(=O)CC1CC2(C1)CC1(CCC1)C2	2083614556	AJPQJOGPZLMVTO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](C)CCNC1CC2(C1)CC1(CCC1)C2	2083631475	WVLVDUXLAMZLHI-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H]2CCCNC23CCCC3)CCCCC1	2083816871	ABBCAYKAGYWAIO-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCc1cc(Cl)ccc1NCc1ccccc1	2208927241	NAYRNZYGWGLUIH-UHFFFAOYSA-N	245.753	4.515	0	10	BJAE	
Clc1cccc2ccn(CCCCC3CC3)c12	2214573202	KFTJBNGCBKIVQC-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)CC1(C)CC(C)(C)C1	2215401903	RVNQWMGHLDAXIC-CJNGLKHVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC1(C)CC(C)(C)C1	2215401927	SBNPNOYMOKTHFE-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
Cc1sc([C@H](N)C2=CCCCCC2)c(C)c1C	2215538346	KPIPSQNPOFPBFP-CQSZACIVSA-N	249.423	4.564	0	10	BJAE	
CCC(CC)C[C@@]1(CN[C@@H](C)CC)CC1(C)C	2217152658	GOKSQJGHJKJSNO-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C/C=C/c1ccccc1	2219085973	PIOJEKQPMIJSBF-ISBHARSQSA-N	245.410	4.634	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2(C)CC3(CCC3)C2)C1	2221005320	HZYDZMIHVCDXEV-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@](C)(CN(C)[C@@H]2CCC[C@H](C)C2)CC1	2221603722	VVAAHUPPVVOKHW-BBWFWOEESA-N	249.442	4.633	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCC[C@@H](C(C)(C)C)C2)CCC1	2222267470	QCXWYZOQAINCLB-BZUAXINKSA-N	249.442	4.680	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cc(C(F)F)cs1	2244785945	SABULGBUTIPZHO-GZMMTYOYSA-N	247.354	4.512	0	10	BJAE	
CCCCCCN(C)CC[C@H]1CCC[C@H](C)C1	2246671435	XRCJXTGPLQXQRX-JKSUJKDBSA-N	239.447	4.715	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CC[C@H]1CCC[C@H](C)C1	2246691942	JTJAEIZAHACEOV-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CC[C@](O)(c1cc2ccccc2s1)C(C)(C)C	2246853269	AJMZWUIQFWYITP-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
C[C@H]([C@@H](O)c1cc2ccccc2s1)C(C)(C)C	2246954852	DWKLKTWHLXCWJE-QMTHXVAHSA-N	248.391	4.617	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@@H]2CC23CCC3)c(Cl)c1	2248282589	GCDFTAKUKNNCGE-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CCCC(N)(CCC)CCCCC[C@@H]1C[C@H]1C	2248879338	MEZGZLLDCNVVJJ-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@@H](C)C(C)(C)C)NCC	2250359014	PTCQDBNUHOMRGY-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccc2sccc2c1	2250368764	DWPWTQGGQQLNBU-NHYWBVRUSA-N	247.407	4.727	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2250382829	GJBASZBUNSROIA-LYYZXLFJSA-N	239.447	4.602	0	10	BJAE	
CCCC(N)(CCC)C[C@@]12CCCC[C@@H]1CC2	2251212699	SRHGIIRSMFLRIM-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCC(C)(CC)[C@H](O)C1CC(CC(C)(C)C)C1	2251537149	VWNCCDUYFPIYSB-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
O=C(CCC1CCCC1)C[C@@H]1CCCCC12CC2	2253780315	FXDOHCXOSSGSLO-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C[C@]1(CC[C@@H]2CCCCC23CC3)CCCCCN1	2253883017	FIJOXEJKFBLRGA-JKSUJKDBSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2CC3(CCCC3)C2)C1	2254041007	HACXDOJTPWZHFU-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H]1CCCC[C@H]1CC1CC2(CCCC2)C1	2254105062	FQXJDQSDMPYRRK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCCN[C@H](C)CC1=CCCCC1	2254546433	XCAWHTMHWWCGJL-ZMSDIMECSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1CNC(C(C)(C)C)C(C)(C)C	2255487064	JNLYXOIPRWSOPU-UHFFFAOYSA-N	247.426	4.545	0	10	BJAE	
CN[C@H](CCCCCC[C@@H]1C[C@H]1C)c1ccco1	2257248206	RRLLAGLKOKEWRH-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC1(CC2CC2)CCC1	2257312021	PJGBNPOBSHTFLA-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cc2cc(C)ccc2o1	2259434304	AINQIXYLSWPSMV-LRDDRELGSA-N	246.350	4.601	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@]12CCC[C@H]1CC2	2260508636	QIQAAAFMGSQFOM-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC(C)(NC[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2260577921	IQPBDOFGSGPBNW-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1NC[C@]12CCCC[C@@H]1CC2	2260621468	LPTCJJCEEMTGSL-NVXWUHKLSA-N	243.394	4.631	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@@]12CCCC[C@@H]1CC2	2298726819	LGYNTGFZNQHAEU-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC1CC1)[C@@H](O)C1(C)CCCCCCC1	2298926471	MPPLPJBIIZWIGE-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CNc1cc(C(C)C)ccc1C	2300458094	HSCVQHUINVLOIT-UHFFFAOYSA-N	231.383	4.887	0	10	BJAE	
CCCc1ccc(-c2ccc(O)c(CC)c2)s1	2300642045	CILZMXBGXCTVMW-UHFFFAOYSA-N	246.375	4.636	0	10	BJAE	
CCC(CC)CC[C@](C)(N)C12CCC(CC1)C2	2300697085	KPYQSWNSPOCTBZ-PCKAHOCUSA-N	237.431	4.501	0	10	BJAE	
CNCC1(CC=C(C)CCCC(C)C)CCC1	2300864617	CPGAMKQRAXIHLA-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC=CC[C@H](N)C1CCC(CCCCC)CC1	2300902928	ZEXHWXJQDPFLFB-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@@H](C)[C@@H](C)C(C)C	2301824557	DVRBRLGGYBOREW-FXUDXRNXSA-N	241.463	4.719	0	10	BJAE	
CC1(CCC[C@H](N)CCC2=CCCCC2)CC1	2301901858	GAPYPAZAHRFJDV-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@@H](C)[C@H](C)C(C)C	2301976620	ZLCYMTYCIHBUAR-CABCVRRESA-N	241.463	4.815	0	10	BJAE	
C[C@](N)(CCCC1=CCCCC1)C1CCCC1	2302331084	IUJCOGAVMRFORM-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@H](CCCCCC1=CCCCC1)NC	2302360149	ZBIQFMVVLWXEGW-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303472135	OUAKVHNIJIPXSB-GXTWGEPZSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)CCCC2CC2)C1	2304437096	PHILXGMUCRTRNR-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(CCC)CNC1CC1	2307749475	KVANTNJNOFMWFP-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(O)CCCC(F)(F)CC1	2307839786	BSJJQRKPMJGRCU-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C[C@H](CC)C(C)(C)C	2307893196	HGPKTLOTHJDZRE-KKUMJFAQSA-N	241.463	4.993	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC[C@H]1CC1(C)C)NC	2307905198	WAMSKPRRUAFLCV-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)C(C)(C)C1CCC1	2307908728	IEQPPNPEASQOSZ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(=O)CCC[C@@H]1C[C@H]1C)c1ccccc1	2310421377	DZVAAJMNDWTSQL-FVQBIDKESA-N	244.378	4.576	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313188478	KOAFLWCPUFKHMP-DLXPNOHRSA-N	249.442	4.501	0	10	BJAE	
CC[C@]1(C)NCCC1=C1CCC(C(C)(C)C)CC1	2315203144	PRNUAGZTDDMEKT-JRZJBTRGSA-N	249.442	4.681	0	10	BJAE	
CC(=CC=C1CCNCC1(C)C)CCCC(C)C	2316568523	QVDJHLNYFIGUDV-UHFFFAOYSA-N	249.442	4.705	0	10	BJAE	
C1CCC(CCN[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2317009585	XSZXZFNUBASJCF-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317209306	PZQDBLAWCIMOFL-WCXIOVBPSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1[C@H](C2(N)CCC3(CCCC3)CC2)CC1(C)C	2318254072	KDMCQLNHLQZMFD-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cc(F)ccc1C1CC1	2319182600	MNCNSTADGXLHNN-HNNXBMFYSA-N	249.373	4.529	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCCC[C@H]2C[C@@H]21	2319253803	XUJWNJNJJMLEJV-YQQAZPJKSA-N	243.394	4.630	0	10	BJAE	
CCc1cc(N[C@H]2CCCC[C@@H]3C[C@H]23)ccc1C	2319336272	FXSAWBSUDIKDAM-PVAVHDDUSA-N	243.394	4.548	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC(=O)C1CC2(CCC2)C1	2320320026	KNLKIIXMVUGSHF-OCCSQVGLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@@H]1CCC(C)=C(C)C1	2320388729	SXTXXPYLQQWHHQ-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)CC2CC(C)(C)C2)CC1	2320401676	KZZKTEDCWKPBLK-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@@H]2CCC(C)=C(C)C2)C1	2320415824	DSTYXDWDHRZAKX-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CCCc1ccccc1O[C@H](CC1CC1)C1CC1	2320809814	FQPFWPKQNZQFTH-QGZVFWFLSA-N	244.378	4.597	0	10	BJAE	
Cc1cccc(OCC[C@@H]2CCC(C)(C)C2)c1C	2321610588	IUZCPUYNXIBBDG-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
CC(C)NC[C@@]1([C@@H]2CCC[C@@H](C)C2)C=CCCC1	2326698757	HNCMCXXDIKERQF-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C)C[C@H](C)c1cc(C)ccc1C(C)C	2327706835	CWLAEXZIXZDPJT-GJZGRUSLSA-N	247.426	4.610	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1C2(CCC2)C12CCC2	2328290315	DEAKCPDFGNDISX-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)Nc1cccc(C)c1C	21510823	SOTWWVGUYJTQRT-UHFFFAOYSA-N	219.372	4.684	0	10	BJAE	
Cc1ccc([C@H](C)NC2CCC(C)CC2)c(C)c1	21805978	ZNDXGAPKCRGSCW-NRAUKZCXSA-N	245.410	4.533	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)c1ccc(C)c(C)c1	36792207	YJLLRPDLIGEBCV-JKSUJKDBSA-N	247.426	4.923	0	10	BJAE	
Cc1cccc([C@H](C)Nc2cc(C)ccc2C)c1	37216030	HSQDIYGIZLNLKD-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)c1cc(C)sc1C	37315019	JXZLVJNQXXFBPX-JQWIXIFHSA-N	239.428	4.594	0	10	BJAE	
CCCCCCN[C@H](C)c1ccc(CC)s1	71085722	BQXOFHNFVLXKAZ-GFCCVEGCSA-N	239.428	4.541	0	10	BJAE	
Clc1ccc(N[C@H]2CCC[C@@H](C3CC3)C2)cc1	81623945	IHLGZGXPQZGBDB-DOMZBBRYSA-N	249.785	4.721	0	10	BJAE	
C[C@H]1CCC[C@H]1Nc1ccc(C(C)(C)C)cc1	86669668	NWVVVQHFLBYHFL-SWLSCSKDSA-N	231.383	4.585	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)[C@@H](C)CC	87172838	JLROASPUBLJZBJ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1cscc1C	87288403	PVKCAZBUUGCMCJ-TZMCWYRMSA-N	239.428	4.663	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)C2(C)CCCC2)cc1	94899636	GFCFXDUBZWLILT-CZUORRHYSA-N	245.410	4.780	0	10	BJAE	
CC/C=C\C[C@@H](CCC)c1ccccc1	107611057	CKJYVWUWPPHECC-BRLPQQTGSA-N	202.341	4.927	0	10	BJAE	
CC(C)(C)c1ccccc1[C@@H](O)C1CCCCC1	123095468	XPUXVJKUUWLIAN-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CCN[C@H](CC(CC)CC)c1cscc1C	128210019	FZUOBKALYCLHOR-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)c1cc2ccccc2o1	128220234	YGDLUJUGSXZRHS-WBMJQRKESA-N	245.366	4.520	0	10	BJAE	
Cc1cc(Cl)c2nccc(Cl)c2c1Cl	132256307	LWNGCWUDJXVZGH-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCC(CC)CC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1N	149462232	UVEPYFMBPBDNTA-CFVMTHIKSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1cc2ccccc2s1	163384259	BFYRKHGKJMVDTB-GFCCVEGCSA-N	247.407	4.727	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccc(C(C)(C)C)cc1	163734685	BHMIFCJSLIOIOM-XJKSGUPXSA-N	245.410	4.975	0	10	BJAE	
CC(C)CCC[C@@H]1CCC[C@@H]1CNC(C)(C)C	166347902	RWXLOFMDDRSNJF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(-c2ccccc2O)c2ccccc12	199578549	BGRCDYUFITXAFD-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(O)CCCCC2(C)C)C1	226874859	ZWHDIRBOCKNGDT-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC[C@H]1CCCC[C@@H]1CC)C(C)C	227179624	IWVLQUJFUMRPAV-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1CC(CC)CC	227535236	ZJDOUQUDVNRPCZ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cc(C)ccc2Cl)C1	232230143	GPCYZTJPZXHUHM-NWDGAFQWSA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@@H](C)[C@H]1CNc2c(F)cccc21	232949584	XJMUTZNMWIZVMR-TZMCWYRMSA-N	249.373	4.941	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC2(CC)CCC2)CC1	233916261	TZTRYDFYHFRVQS-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(CN[C@H](CC)C[C@@H](C)CC)cc1	233998718	ZPVIPCBKGFKGKN-WMLDXEAASA-N	247.426	4.553	0	10	BJAE	
CCc1ccccc1NC[C@H]1CC(C)=C[C@@H](C)C1	234151152	RKWIQBGIOCDGQJ-UKRRQHHQSA-N	243.394	4.653	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@H](C)CC(C)C	300836379	CPYOHACWDPTEJM-ILXRZTDVSA-N	228.420	4.636	0	10	BJAE	
CC(C)[C@@]1(CCCC(C)(C)C)CCCCCN1	302249324	BOBFXOKDBYSWFY-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@H](C)CC(C)C	304330516	AILLMICPCMHHJF-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCc1csc2ccc(Cl)c(SC)c12	306917216	XVEHHMAJIGOJPN-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C[C@H]1CCC[C@@H](C)C1	308032226	PJQMRYVTOKIIQV-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC(C[C@]2(O)CCC(C)(C)C2)CC1	310394947	JJUXXOJMWRUVJO-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
C1=C(CN[C@@H]2CCCC23CCCCC3)CCCC1	312992477	BTXQPYXCTPASGG-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
C1CCCC(CNC2CC2)(CC2CCCC2)CC1	317656464	VDMKQHMMGWIPCN-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1scc(C)c1Cl	320130371	ZFQADZKSMDLEBN-VXNVDRBHSA-N	244.787	4.575	0	10	BJAE	
Cc1cc(C(=O)CCC2=CCCCC2)cs1	385252629	XGLLNLSGBITZKI-UHFFFAOYSA-N	234.364	4.520	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](CCCC(C)C)NC)CC1	392958123	NZGCPRNTSVEHRI-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC1(CNC2(C)CCCCC2)CCCCCC1	394613426	TZRXSKTVYWDZLQ-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CSc1cccc(N[C@H]2CCCC23CCC3)c1	394720219	DWPBQDAHOVJPNY-AWEZNQCLSA-N	247.407	4.543	0	10	BJAE	
CCC(CC)(CC)CNc1cc(C)ccc1F	395118270	IJMMTFPQJBDNMM-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H](C)c1ccccc1	395225540	AHGRDXAFOXSBEV-ZBFHGGJFSA-N	234.383	4.512	0	10	BJAE	
CCc1csc2c(S)cc(C(F)F)cc12	396246912	QDJWIYZIOBKCKF-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CSc1cc2c(C(F)F)ccc(F)c2s1	396259357	XUPYOHWMQVJUEM-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1c(C(F)F)c(C)cc2sccc12	396259974	YMBNXAFKXYOMES-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1cc(C(F)(F)F)c(F)c2ccsc12	396300769	PLMCOKJSCYUNGC-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCC[C@H](Nc1cc(C)cc(C)c1)[C@H]1CC1(C)C	397601797	MBXJRPMJGXFLCH-CVEARBPZSA-N	245.410	4.930	0	10	BJAE	
CC[C@H](Nc1ccsc1Cl)[C@H]1CC1(C)C	397716235	UUTVNZKSZKDXBK-BDAKNGLRSA-N	243.803	4.638	0	10	BJAE	
CCCN[C@H](CCC1CCC1)CCC(C)(C)C	398624500	LORBHNOJDMFRLD-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@@](CCC2CCC2)(CNC2CC2)C1	398666910	QLSRKCLWNFHFEN-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1csc([C@H](C)c2ccccc2)n1	405532739	CDRQZQKLRFLTGS-NWDGAFQWSA-N	245.391	4.808	0	10	BJAE	
CC(C)(CCC(=O)CCC1CCCC1)C1CC1	405893209	POBFIWCDGDFUGG-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)Oc1ccc(Cl)c(C(C)(C)C)c1	694973411	HFEUWRLAOXWAJA-UHFFFAOYSA-N	240.774	4.815	0	10	BJAE	
c1cc(C2CC2)ccc1NC1CCC2(CC1)CC2	696010767	PMRSYTFLKWJPBJ-UHFFFAOYSA-N	241.378	4.699	0	10	BJAE	
CC[C@@H](C)CCN[C@H](C)c1cc(C)c(C)cc1C	696176508	SCEUFGHJMUVQLL-MLGOLLRUSA-N	247.426	4.699	0	10	BJAE	
CCC(C)(C)CCC(=O)CC1=CCCCC1	696746974	DOWAXJXAINHUGW-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC(C)(C)CC	697257752	GCTPDEDKAFVWRJ-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1C[C@H]2CC[C@H]1C2	697771165	IIVCULOTYVZEHI-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](O)(c1cccc(C(C)C)c1)C1CCCC1	701548586	JCCKZUDSERSURX-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
C/C=C\[C@H](NCCC)c1ccccc1C(C)(C)C	704640688	WDTQCIVHKNAPNT-DIEDAUMRSA-N	245.410	4.601	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@H](C)CC(C)(C)C)cc1	704727124	FKZFQJLFHBNCOO-CZUORRHYSA-N	247.426	4.882	0	10	BJAE	
CC[C@](N)(CCCCCC(C)C)[C@@H]1CC1(C)C	704827705	QLUHWEDIGHKDMD-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@](N)(c1ccccc1C(C)C)C(C)(C)C	704932414	YJSLYISUGBPFEG-QGZVFWFLSA-N	247.426	4.810	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)CC1(C)CCCC1	707547320	RSXWBSZXAJQEAA-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(O)CCCCC[C@@H]2C)C1	709195451	RJQMAFVFTIWALS-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)c1ccc(Cl)o1)CC(C)(C)C	709213827	SJQZVGCBMQFOID-VIFPVBQESA-N	242.746	4.578	0	10	BJAE	
CC(C)CC[C@@H](N[C@@H]1CCCC2(CC2)C1)C1CC1	709981559	ZATFJSASBJAEQU-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@H](C[C@H](C)c1ccccc1)NC	710178315	DIOBHCGPEUJDFF-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
CC[C@H](C[C@H](NC)C1=CCCCC1)C(C)(C)C	711212679	KUXJHFZDJNOJAX-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
c1cc(N[C@@H]2C[C@@H]3CCCC[C@@H]32)cc(C2CC2)c1	712500294	CEUYBJPJIMQPLL-BHYGNILZSA-N	241.378	4.555	0	10	BJAE	
C/C(=C\CCNCC(C)C)CC(C)(C)C(C)C	713132928	LBMACZLIPOZKEJ-OQLLNIDSSA-N	239.447	4.641	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@]1(C)CC[C@H](C)C1(C)C	713350214	AWZICGNRMVQJKE-BLLLJJGKSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C\CC[C@H](N)C1CCC(C(C)(C)C)CC1	713744930	JLGMYHBVFUADBP-LAIDKTGSSA-N	249.442	4.689	0	10	BJAE	
O=C(CCC1CCC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714498122	FYLGHTNKLHNIAU-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CCCC(C)(F)F	718613649	VCFZNPXLEOTLGG-STQMWFEESA-N	249.389	4.602	0	10	BJAE	
CCCN[C@@H](CCCC(C)(F)F)[C@H](C)CCC	718723088	RJDWMWGFOHGTQG-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)C1(CC(C)C)CCCC1	723129873	ZLDMGRJAJXCELI-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
C1=C(CCN(c2ccccc2)C2CC2)CCCC1	1194369248	MNCIVDKOZMMCIC-UHFFFAOYSA-N	241.378	4.546	0	10	BJAE	
Cc1sccc1-c1ccc(C(C)(F)F)cc1	1240502740	QXOJMFNBULYLLC-UHFFFAOYSA-N	238.302	4.835	0	10	BJAE	
CCC(C)=CCN(Cc1ccccc1)[C@@H](C)CC	1887952789	FZTAOYKQWREWMI-INIZCTEOSA-N	245.410	4.643	0	10	BJAE	
CCC(C)=CCc1sccc1C1CC1	1888060274	CILBUDHCONOOSH-UHFFFAOYSA-N	206.354	4.524	0	10	BJAE	
CCCC1CC(C(=O)CCC(CC)CC)C1	1900708866	DNXOHLJSWDJCAU-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
Clc1cscc1-c1ccnc2ccccc12	1901252529	AKRSCKQUJUKBLH-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H](C)[C@@H](C)C(C)C	1901626290	OTWZOZOLEIDKGS-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
CCCC(C)(C)c1nc([C@H]2CC2(C)C)cs1	1901908674	MYCUHSMYYSITQC-SNVBAGLBSA-N	237.412	4.734	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc([C@H]3C[C@H]3C)cs2)C1	1905268949	ZXMWDJCMYUNBKJ-WYUUTHIRSA-N	235.396	4.560	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)CC(C)(C)C	1908553341	ZKYOYJCITNGEQE-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@H](CC)c1c(F)cccc1Cl	1911798698	LVFCBMWDGYMIJI-JTQLQIEISA-N	226.722	4.939	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@H](C)CC[C@@H]1CNCCC	1912093388	YUADCCLXBBZOOY-BRWVUGGUSA-N	249.442	4.561	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@@H]1CCCCCF	1913402262	CYYXUYMMMZHKCH-HUUCEWRRSA-N	244.394	4.628	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H](C)CCC(C)C	1920202805	MLWDVLUPLMXODA-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)C(C)(C)CC	1925897614	ITINZMBQTHNSAJ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CSc1ccc(NC[C@H]2C=CCCCC2)cc1	1925918019	QHWOTOUSKWBAIS-ZDUSSCGKSA-N	247.407	4.567	0	10	BJAE	
CC1(C)CCC(=CCC(C)(C)C2CC2)[C@H](CN)C1	1927157701	SWURTNIOEJAWOW-AWEZNQCLSA-N	249.442	4.524	0	10	BJAE	
CCCC(CCC)[C@H](N)c1csc(CC)c1	1936760027	YGTVPVOVRNFYRI-AWEZNQCLSA-N	239.428	4.527	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(CC2(C)CCCCC2)C1	1940400969	GSNVJDQPNDHNAY-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC[C@](O)(CC1(C)CCCCC1)C1CCCC1	1940404640	ADUJMUADINGSIZ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(CC)[C@@H](CC1(C)CCCCC1)NC	1940413003	BIYJPUGXXYNABY-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@@H](CC(C)C)C(C)C	1941263618	DBXSJMFHYUXTSD-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(O)CCCC1CCC1	1941470142	LZHSCHFFBKFQDJ-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(OCCCCCC2CC2)c(C)c1	1941591690	NJHWMSHMAXXVFF-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)CC1CCCCCC1	1942652011	CMZZAYUOYUDXDJ-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCCCC[C@@H]1CC	1942802804	GRSHQJLJEPOSDT-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC[C@H]1C)C1CCCC1	1944844334	YZVSDBFULNFAIM-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1CCC[C@@H]1C	1944851022	ZLARNBSCVUDYSS-UONOGXRCSA-N	231.383	4.658	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CC[C@H]2CC[C@H]1C2	1947123865	NRGVHLZYGLICNG-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
CCCCCN[C@@H]1CCCCCCCC1(F)F	1947372800	YZDXCNRHPJJNGV-CYBMUJFWSA-N	247.373	4.514	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(N)CCCCCC1CC1	1947459942	DEHMHQOZZMQKBS-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@H]1N[C@H]1CCC[C@H]1CCC	1947464373	QEQUKNLNZDUNQZ-SYMSYNOKSA-N	237.431	4.514	0	10	BJAE	
CC[C@@](O)(CCC(C)(F)F)CC1CCCCC1	1947998828	WSQGFRWVBXTANU-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CCC(F)(F)CC)C1	1948001283	POLCNIKDEVQWCW-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@](N)(C2=CCCCCC2)CC1	1948977359	BHIZIERDAPEGPQ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCCCC[C@@H](C)NCCC1CC(C)(C)C1	1949858698	AOAHDISUPYYNCW-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@]1(CO)CC12CCCCC2	1950610700	DKKHUWQFEICBJO-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCC=CC[C@@H](C)c1cccc(C)c1C	1951288103	HJBHWFVIUWDZPA-CYBMUJFWSA-N	202.341	4.763	0	10	BJAE	
CCC1CCC(N(C)CC2CCC=CCC2)CC1	1966151390	LRVCDTXIQPSLLY-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCC1(CC)CCCN(C[C@@H]2C=CCCC2)CC1	1966399525	SRFNUGBEAQLVQT-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
C[C@@H](NC1C[C@@H]2CCCCC[C@H]2C1)C1CCCC1	1967758047	YBANTRSFQHTHCP-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1NC[C@@H]1CCC2(CC2)C1	1968528062	LQZIKUFMFPSVTA-CQSZACIVSA-N	243.394	4.631	0	10	BJAE	
Cc1cc(F)cc(NCC[C@@H]2CCC[C@@H](C)C2)c1	1968594928	IPWSBLKUVXEAQD-OCCSQVGLSA-N	249.373	4.762	0	10	BJAE	
CC(C)=CCc1ccc2ccccc2c1C	1980984153	VNNPYRNDZJHZFA-UHFFFAOYSA-N	210.320	4.657	0	10	BJAE	
C/C=C/CCCC(=O)C1(C)CCCCCC1	1984591899	VVPUPSAHOSEYTM-ONEGZZNKSA-N	222.372	4.662	0	10	BJAE	
C/C=C/CCCNc1ccccc1C(C)C	1984607375	OFWZGWBLSOBDLC-SNAWJCMRSA-N	217.356	4.578	0	10	BJAE	
F[C@@H]1CC[C@H](CCC2CC(=C3CCC3)C2)C1	1985534706	MHYUDLOMNWWDOO-XHDPSFHLSA-N	222.347	4.795	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1CCC1(C)C	1987945636	CDDHNSSEFPGKIB-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCC(C)(C)C1	1990093739	NZDWSXXWFIZZOH-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc(O[C@H]2C=CCCCC2)c(Cl)c1	1990986351	FXPCFPIOFRYSNB-LBPRGKRZSA-N	236.742	4.526	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC(CC)CC	1995254044	NGVWBQNVHSWOHM-UKRRQHHQSA-N	228.420	4.780	0	10	BJAE	
CCC[C@H](C)CCN[C@H](CC)C1CCCCC1	1996588078	BXPCEMDKIMAWOT-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)C1CCC(C)(C)CC1	1996595618	XLBFNFKCTRUFSD-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](C[C@H](N)C2(C)CCCCC2)C1	1997014713	WHJPDSKKOANSNP-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@](O)([C@H]2CCCC(C)(C)C2)CC1	2000029616	ZKBGKAFODQXVON-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)[C@@H]1CCCC(C)(C)C1	2000031973	KDYDOTLZBNOHDU-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)[C@H](C)CCC(C)C)C1	2000190292	LMCZHQHQKMGBQE-NWANDNLSSA-N	236.399	4.620	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@H]1C[C@H]1CC	2000368777	UTOSWDOVYFOVST-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)C[C@H](C)C1CC1	2000516008	UPJOBGQHVVFPTB-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@@H]1C=CCC1	2000522116	AXPUQHUANUJWII-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCCCCCNCC1(C)CC=CC1	2001699997	RFRBZXAFFXGQAC-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](O)CCC2CCCCC2)CC1	2003104398	USOHGIAMQRFTQZ-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@@H](N)CCC2=CCCCC2)CCCC1	2003178037	XVQDENNLIWVFLQ-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
C[C@@H](C(=O)CC1CCC2(CC1)CC2)C(C)(C)C	2003271839	ABGCTBXGWCMCHK-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCC=CCNC1CCC(CC)(CC)CC1	2004337457	RJVCBYCTHZDBKL-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@H]1CCC[C@@H]1C	2006753107	APRWEMUHEBDONM-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCC[C@@H]1C(C)C	2007623224	RZNJLGXHXDMODE-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)C1(C)CCC(C)(C)CC1	2007683784	VDLRLWCXXBORGT-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H]1N[C@@H](C)C[C@H]1C(CC)(CC)CC	2009773759	WYCSLBISGNUFBI-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)C(C)(C)CC	2010628192	ZHLJFLZNTPLEAJ-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010715606	UJYHWAXRBVVHMG-CABCVRRESA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](O)CC1=CC[C@@H](C(C)(C)C)CC1	2010717173	GRNLLXOMHCMECT-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CC1=CC[C@H](C(C)C)CC1)NC	2010761909	GWQWDICJBLZJMT-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC[C@@]12CCC[C@H]1C2	2011011430	OPHNPMBLHVAFCE-IJEWVQPXSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCCCC12CC2	2011272582	STMGXOQNNYXWGP-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(O)[C@@H]1CCC1(C)C	2014895520	GKUQHEACLWWGIE-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C[C@@H](N)[C@@H](C)CC(C)(C)C)C(C)C	2015280315	DXXFVMYDMZBSNR-DZGCQCFKSA-N	241.463	4.704	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1(CC2CCC2)CC1	2015788825	QUWFMSVVORPKLD-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC(C)=CCC[C@](C)(N)c1sccc1C1CC1	2016115181	PLIVJIOJUKGLNQ-HNNXBMFYSA-N	249.423	4.546	0	10	BJAE	
CCCC(CCC)CNC[C@H]1CC[C@H](C)CC1	2017642532	IVTUPPBVVASFKP-KOMQPUFPSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(C[C@]2(O)CCC[C@H](C)C2)CC1	2017649372	UVRXUAWLXDPZJP-LBDPXKHJSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)C(C)(C)C(F)F	2018132584	ZSOJDWBHTQCDPR-NWDGAFQWSA-N	249.389	4.615	0	10	BJAE	
CCCC1(Cn2ccc3ccc(C)cc32)CC1	2018922328	VBPJXDDMCHKLIU-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@H]1C=CCCCC1	2019504474	AGFRRAWUQCDDFA-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CC2=CCCC2)CC1	2019777060	IKZOLCQMNCTYIS-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CSc1cccc(N[C@H]2CC[C@@H](C(C)C)C2)c1	2025575276	SYQXCVIKJBCDLA-OCCSQVGLSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC1(CF)CCC1	2026060194	LELNJPHIHDCARW-CYBMUJFWSA-N	242.378	4.692	0	10	BJAE	
CCc1ccc(C(=O)CC2(C)CCCCC2)cc1	2027274791	FZNGNGNXAAFAMH-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(F)c2ccc(N)cc2)C1	2027935082	FEPCXZFXQBSTTH-WWGRRREGSA-N	249.373	4.670	0	10	BJAE	
CCC[C@H](C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CC2)C(C)C	2028258008	OACJFIQJFPRDNI-VGWMRTNUSA-N	248.410	4.620	0	10	BJAE	
CC(C)(C)C1CCC(=Cc2ccccc2N)CC1	2031834515	MJLAEYNMJOGGDR-UHFFFAOYSA-N	243.394	4.889	0	10	BJAE	
CCCC1(CNc2ccc(C3(C)CC3)cc2)CC1	2032245683	JPKYUHRODDVKEP-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
CC(C)(N[C@H]1C=CCCCCC1)C1CCCCC1	2033147247	NIDHOFWTPDLJOZ-INIZCTEOSA-N	249.442	4.824	0	10	BJAE	
C[C@H](NC1(C)CCCCCC1)[C@@]12CCCC[C@@H]1C2	2033410847	XYGLAZWXKKXHRG-UXLLHSPISA-N	249.442	4.658	0	10	BJAE	
CC1(C)C(C(=O)[C@@]23CCCC[C@@H]2CCC3)C1(C)C	2034057665	OIGYDPNKCFSPMD-SJKOYZFVSA-N	248.410	4.598	0	10	BJAE	
C(CCC1CC1)CN[C@H]1CCCC2(CCCC2)C1	2034364894	STVIUGGIBAKVPI-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCc1ccc([C@@H](N)C2(C)CCCCCC2)cc1	2037070399	OTNWACXHJYUBEP-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CC[C@@](N)(C1CCCC1)[C@H]1CCC2(CCCC2)C1	2037575018	FGWLYXSAOHOCJF-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
O=C(C1CCCCCC1)[C@@H]1CCC2(CCCC2)C1	2037673538	XGWQDFNWNGPUAW-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCCC1([C@@H](NC)[C@H]2CCC3(CCCC3)C2)CC1	2037689802	IAQHGEBAYGXKMY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CC23CCCCC3)C1	2039011251	GDFMBXVEROAGEB-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCC1CC1)CC12CCC(CC1)C2	2039420162	KPAKBPQXKCUGKD-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CC1(C)CCCCC1	2039443330	ZKWKWKFKNGRXTF-JYJNAYRXSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@H](CNc2cccc3ccccc23)C1	2040120851	QNUVGIZEOHRCAO-KBPBESRZSA-N	239.362	4.688	0	10	BJAE	
CC1(C[C@@]2(N)CCCC3(CCC3)C2)CCCCC1	2041301009	SXHJGPQSVLDEFB-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](C[C@H]2C=CCC2)NC)CC1	2041381681	BCIPFLKWEIOLBE-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CCC1)[C@@H]1CC=CCC1	2042027588	OOXHUKKRZBLKCE-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@@]1(C)CC=CCC1	2042031673	VSZCIIAURIZQOB-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(NCC[C@@H]2CC=CCC2)CC1(C)C	2042386748	XOIILCSHLBKUEQ-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC12CCC2)CC1(C)CCCC1	2047929793	TVISMKKDILNLEM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
NCC1(C[C@@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2048489189	WHOFYDPNYHEVRL-ZSHCYNCHSA-N	249.442	4.502	0	10	BJAE	
CCCC1CCC([C@@](C)(N)CC2=CCCC2)CC1	2049485394	PKRGRMULGKZTQU-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCCc2nc([C@H]3CCCC(C)(C)C3)[nH]c21	2049569672	FTUQYKRISXRLHE-NEPJUHHUSA-N	246.398	4.533	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H]1CC[C@H](C)CC1	2049638658	RTOZCCISUGSVQZ-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CC1CCC([C@H](N)C[C@H]2CCCC3(CC3)C2)CC1	2049859672	QWQOMHYEQWEPRH-GYTBAZASSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)CC[C@H]2CCC3(CC3)C2)c1	2050461839	ZJTGGGYOTNNTQJ-AWEZNQCLSA-N	242.362	4.538	0	10	BJAE	
Cc1cccc([C@H](N)CCCC2CCCCC2)c1	2050464570	OAYBQRIHTFFIEV-QGZVFWFLSA-N	245.410	4.745	0	10	BJAE	
CC(C)C1CC(C(=O)[C@H]2CCCCC23CCC3)C1	2053359972	PEYAPHRRUYUHTG-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
Cc1c(Cl)ccc(C(F)F)c1C(F)(F)F	2054884558	OJZKBXXZSDUPPL-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(C[C@@H]2CCC=CCCC2)C1	2054979092	AWNIYADJDWJMAG-ZACQAIPSSA-N	247.426	4.587	0	10	BJAE	
C[C@@H]1CCC[C@H]1C1(CNC2CC2)CCCCCC1	2055286224	OVFYWNVQCRIUGF-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC=C(C)[C@@H](NCC)c1ccccc1C(C)(C)C	2056783364	VFJARZPNBMNEJS-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
N[C@@H](C=C1CCCCC1)[C@@H]1CCCCC12CCC2	2056879190	QTXVJZLPPAMQKX-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1(C2CC2)CCCC1	2057606610	OJGASRKNUZHHTN-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1(C2CC2)CCCC1	2057609093	MTQMJSRQFBOMHM-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC=C([C@]2(N)CCCCC23CCC3)CC1	2061123139	VHBVUMVGOAQTGW-WMLDXEAASA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC=C([C@@H](N)C2CC(C(C)(C)C)C2)CC1	2061149857	GPFFKMBWQSXJFM-YMAMQOFZSA-N	249.442	4.523	0	10	BJAE	
CCC1CCC([C@@H](N)CC[C@]23CCC[C@@H]2C3)CC1	2061601507	HXXDTDCSFMPZBM-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@]1(CNCC(C)C)CCC1(C)C	2068231580	ZFGMKKNKLKJUDL-QGZVFWFLSA-N	249.442	4.561	0	10	BJAE	
CC1(C)CC[C@H]1CN[C@@H]1CCC2(CCCCC2)C1	2068238474	FOAIAVOJCZJPJE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CNC[C@]1(CC2=CCCC2)CCC1(C)C	2068245816	UDWSZOWICAPLEY-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCCC1(CN2CCCC23CCCCC3)CCC1	2069285833	XDLWJSRKPBTEDT-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCCC1(C[C@H](C)[C@H](O)c2ccccc2)CCC1	2069330575	JPZSTGIVDOEOOY-HOCLYGCPSA-N	246.394	4.717	0	10	BJAE	
CCNCC1(C[C@@]23CCC[C@@H]2C3)CCCCCC1	2070961632	DNNQMFVAFVAJIS-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)c1cccc(C2CCC2)c1	2072096121	RKYMARYUIICFKP-OCCSQVGLSA-N	242.362	4.573	0	10	BJAE	
CC(C)=C(C)CNC[C@@H]1C[C@H]2CCCCCC[C@@H]21	2072410723	FESIDNAOGNNWHK-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)C2(CC3CCC3)CC2)CC1	2072801781	QVLXTDASMXRAPQ-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1	2072871520	PTECORFHPBQWCF-XJCPWDRGSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](NC)c2ccc(C)c(C)c2)CC1	2074635055	YECNFVIJXXUADR-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2CCCC3(CC3)C2)c1	2077265060	IPTSZFJHTMQZMM-AWEZNQCLSA-N	241.378	4.699	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)C1CCCCC1	2079530224	NRBZWHYPXHKJEX-RRQGHBQHSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@H]1C[C@@H](C)Nc2ccccc21	2079662226	UDEQGUAQWDRGBK-KQTLUZQSSA-N	243.394	4.657	0	10	BJAE	
O=C1CCCC[C@@H]1C[C@@H]1C[C@@H]1C1CCCCCC1	2079841588	JTGLLKXQOZPMOC-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@H]2C2CCCCC2)CC=CC1	2079866563	RRGBXDFTPXPPHI-CABCVRRESA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H]1CCCC(C)(C)C1	2080217258	GKZDVFIHRUXRAI-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCc1ccccc1[C@@](C)(O)CCC(C)(C)CC	2081214737	CLSZWNWNFSGYLP-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCCN[C@@H]1C[C@H](C2(C)CCC2)C12CCCCC2	2083324907	HIFAHFRNQJPDHK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(CCCCC1CC1)CCC(C)C	2211114802	RJYWTRCCICEUDW-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](NCC)c1sc(C)c(C)c1C	2211701694	NLBYMXXBDBQXLE-CYBMUJFWSA-N	239.428	4.514	0	10	BJAE	
Cc1ccc(NC2CC(CC3CC3)C2)cc1Cl	2213380407	URKPAWCDVSLERH-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc(Cl)c(NC2CC(CC3CC3)C2)c1	2213381336	YJRWHBBWDBUJGA-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
CCC(CC)[C@@H](C)NCCCCCCC1CC1	2213572567	XQZOMEDJKMYTLJ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C(=Cc1ccccc1)CC1CC(C2CCC2)C1	2213821975	HEXVMRPRXCHXFM-UHFFFAOYSA-N	226.363	4.916	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CCCCC1CC1	2214560093	IPIYCIYYKAZKSP-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@H](O)CCCCC1CC1)C(C)(C)C	2214565399	MPWNAHBPBLANLW-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@H]1CC=C(C)CC1	2215811053	ZHQCVTQEQLAVET-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)C(C)(C)CCC	2216281885	DGDGFFMDRAPNKU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCCC(F)F)CCC(C)(C)C	2216448884	GMEXIHSMJDTYMJ-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCC(C(=O)CCCCC(F)F)CC1	2216506168	TVVHXLIQWZGMLB-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCN[C@@H]1CCCCCCCCC1CC1	2216890430	GDYXTVJATDMECW-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@H](C[C@@H](C)C(C)C)C(C)(C)C	2217138804	NDGSOOOXCSZOJD-ILXRZTDVSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@@H]1CCCC[C@@H]1C	2217149577	IYHIDUBRZBKRGJ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@H](CC(C)(C)CC)C1CCC1	2217153180	KFJGAFLJBJRIGK-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@](N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218355866	HEEZKACWSMFWAR-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)c1cccc(C2CC2)c1	2220965275	YYFAZCFKUSGKOT-IUODEOHRSA-N	242.362	4.573	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCC1(C)CC(C)(C)C1	2221030553	DNCFOLSKCFNGET-HNNXBMFYSA-N	245.410	4.601	0	10	BJAE	
CN[C@@H](CC1(C)CC(C)(C)C1)[C@@]1(C)CC=CCC1	2221037763	FBELXMIVWVNFCW-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CN[C@H]1CCCCC[C@@H]1CC1(C)CC2(CCC2)C1	2221039410	JADMNUSTOWUIBH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](C)(N)CC[C@@H]1CCCCC12CC2	2246622051	ZNFDIZGEALBMLQ-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](C)(N)CC2CCC2)C1	2246664253	OOEFMMBWNVOCPN-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1=CCCCC1)NCC	2247453931	FJVRKOHEOLVHFH-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CCCCCC1=O	2248866936	SGWSOMXZKOCMER-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)c1ccc(C2CCC2)s1	2250279907	OSDAQLLLBHLJGN-NSHDSACASA-N	248.391	4.635	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc(C(F)F)cc1	2250371500	LTPHRYDLCNMOQE-SNVBAGLBSA-N	240.293	4.633	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)[C@@]1(C)CCN1	2250528756	NTAMJOFRZQFUDA-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@@]12CCCC[C@H]1CC2	2251110920	LINFYSFVDUHZCA-XJKSGUPXSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@H]1[C@H](N)C(C)(C)CCC1(C)C	2251721018	QDJPZUJNFOQROG-KBPBESRZSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CCC1CC(C)C1	2251762381	BXMDAXXVAHCAQL-GRAKBVBRSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](NCC[C@H]1CCCCC12CC2)C1CC1	2253891689	XTBRLAOWMPZZRG-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CC[C@H]3CCC[C@H]3N2)C1	2253968048	BRKSVTVRJYSDDA-WRQOLXDDSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@@H]2CCCC23CC3)C1	2254010409	GMHKBMPGCXKJCS-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)CC1CC2(CCCC2)C1	2254104966	CPJWNTTXTMUSRH-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@H]1CCC[C@H](C)CC1	2255050902	MJAOHMBCYNWZQK-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](CN)[C@@H](CC2=CCCCC2)C1	2255096884	NHEDFVCVIPBGMO-ZACQAIPSSA-N	249.442	4.524	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@@H]1CCCC12CC2	2255242016	BVJZJHVGIZOVNB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1C=CCCCCC1	2256116009	URGMDSAALSHYTQ-CQSZACIVSA-N	247.357	4.689	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](NC)[C@H]2CC2(C)C)cc1	2257127485	WBCXHEZJERQEKY-WQVCFCJDSA-N	245.410	4.507	0	10	BJAE	
Fc1ccc(C2CC2)cc1NCCCC1CCC1	2259119160	WERUDOHBVRIRQI-UHFFFAOYSA-N	247.357	4.695	0	10	BJAE	
CCC1(CNC[C@@]23CCCC[C@@H]2CC3)CCCC1	2260581725	FGIQVHHJEQTZGO-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
FCc1ccc(NC[C@]23CCCC[C@@H]2CC3)cc1	2260582364	JKOIBSWISDWNII-GDBMZVCRSA-N	247.357	4.538	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](NCCC2=CCCC2)C1	2261395435	OGFXOVZUPLYURM-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1ccc(C)cc1C	2300674056	PMAAPROMPANAND-MRXNPFEDSA-N	233.399	4.520	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCC[C@@H]1C(C)C	2300688793	QLTVXYXHZDVNBB-CABCVRRESA-N	238.415	4.844	0	10	BJAE	
CC(=CCNC(C)(C)C1CC1)CCCC(C)C	2300865383	MRNSEBUBGRQRHZ-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CCC1CC(C)C1	2300908305	BVIFUJAVLARVJT-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](N)CC2CCCCCC2)C1	2301143695	WLAUKNAUGVQHCB-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC1([C@H](N)CC2CCCCCC2)CCCC1	2301243076	YPRFOPXCLQOVJN-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CC)c1cccc(C(CC)CC)c1	2302231706	VYBUTLVITUYMLV-MRXNPFEDSA-N	233.399	4.651	0	10	BJAE	
CC[C@H]1CC[C@@H](c2nc(CCC3CC3)cs2)C1	2302271672	XLFSUTIEHROSDC-WCQYABFASA-N	249.423	4.779	0	10	BJAE	
CC(C)CC[C@@](C)(O)CCCC1=CCCCC1	2302325438	HPJQNYSGRIJWMN-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@@H](CC(N)(C(C)C)C(C)C)CC1	2303518982	CKUPZHCVMHQLKA-HNNXBMFYSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](N)C[C@@]12CCC[C@@H]1CC2	2313330288	HAVKNQQCXVFUAV-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CC1)[C@]1(N)CCCC2(CCCCC2)C1	2313659527	MTHQFRDCARKNCQ-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC(=CC[C@H](N)C[C@H]1CC12CC2)CCCC(C)C	2316578824	JOBSBGIKRMGBQW-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316692444	GYAUSADZZQENCX-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@H]1CCCC1=CCCCC1	2318537479	FPFKHOVVVJOUDE-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)[C@@H]1[C@@H](C)[C@H]1C	2318598906	URAXSUYQNQAMDX-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC[C@@H]3C[C@@H]32)cc(C)c1C	2319324167	UMNBPWMTRZTFFN-HYVNUMGLSA-N	243.394	4.602	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCCC[C@@H]3C[C@H]32)C1	2319334126	KAWZVPVLAIMBDJ-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
C(CCC[C@@H]1CN[C@H]2CCC[C@H]2C1)CCC1CC1	2319909236	SJTQNGUBPZBWCM-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC[C@H]2C(C)(C)C)cc1C	2320319497	GCEAJSRUSFMIBR-GOEBONIOSA-N	245.410	4.788	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2320397128	HBOIGFNVJUBUNO-YHUYYLMFSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@@]12CCCC[C@H]1CCC2	2320438436	ZQEVIGCJQDPCHF-PNBKFKSVSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@H]2CC[C@@H](F)C2)c1	2320576415	PLUKLHAAJQAUMD-SWLSCSKDSA-N	248.341	4.521	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1cc2ccccc2o1	2328282360	OMZVSVVZBPZKLS-JSGCOSHPSA-N	245.366	4.649	0	10	BJAE	
Cc1cc(/C=C/c2ccc(Cl)s2)cs1	480793	OGAAMFXLPBVMQA-NSCUHMNNSA-N	240.780	4.942	0	10	BJAE	
Cc1cc2c(sc3c(C)ccc(C)c32)c(C)n1	495702	YYBFSCFEAVLXTB-UHFFFAOYSA-N	241.359	4.683	0	10	BJAE	
CCCCCC[C@H](C)NCc1sccc1C	34995367	VQXKPPSYZFCXSG-ZDUSSCGKSA-N	239.428	4.505	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@@H]2CCCC[C@@H]2C)c1	36862388	FSMHKHJMVWMIPA-ZMSDIMECSA-N	245.410	4.533	0	10	BJAE	
CCC(CC)C(=O)c1ccc([C@@H](C)CC)cc1	36940828	VNOZTXHNCQHEJX-LBPRGKRZSA-N	232.367	4.819	0	10	BJAE	
Cc1cccc(COc2ccccc2C(C)C)c1	70238257	KGSZZPMXZFMNGE-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CCCC[C@@H](CC)CCCC(=O)C(C)C	70739618	YMMRUYCOQLCZSY-CYBMUJFWSA-N	212.377	4.598	0	10	BJAE	
CCCCCC1(CNC(C)(C)C)CCCC1	71127664	ALMNMQAGCZDTRC-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1ccc(C)s1	82676649	KFIMGZPSUBKCIN-QWHCGFSZSA-N	240.412	4.696	0	10	BJAE	
CCCCCC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	82865421	BREOHNSKPWYLCU-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CCCCCC2)C1	87946455	KMUDHAOCKNNGFF-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1C[C@H](C(=O)C2CCCCCC2)CC[C@H]1C	87946480	PXEQAFZYMHAMQP-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@@H]2CCC[C@H](C)C2)C1	93123244	GFVFMRVODNCARC-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](NCC)c1cc(C)oc1C	97468735	ZKTMGWXQLYUAGQ-OAHLLOKOSA-N	237.387	4.517	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C)c1ccc(C)c(C)c1	103976700	KUFJJCXXDCTXMI-HUUCEWRRSA-N	233.399	4.533	0	10	BJAE	
CC(/C=C\c1ccccc1)=C/c1ccccc1	105860153	MCXUZXVIQZNGSA-ZJQKOVPWSA-N	220.315	4.803	0	10	BJAE	
CC/C=C\C[C@H](CC)c1c(F)cccc1F	107506043	CAHAGAIEIZECDJ-GZTOBOFZSA-N	224.294	4.815	0	10	BJAE	
CCCCCOc1ccccc1NCC(C)(C)C	107794208	WFSDYIWTIACSGA-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)c1ccccc1C	109697083	DNMNDJDKKOSGMA-DOTOQJQBSA-N	248.410	4.809	0	10	BJAE	
CCCCc1ccc([C@H](O)CC2CCCC2)cc1	109787277	IZNHXWIUFRBVNF-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(F)cc1F	110158782	QWLYQMNRVKSZIU-LLVKDONJSA-N	241.325	4.593	0	10	BJAE	
CCC(CC)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N	150033566	AEAPIQJCYJFODZ-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
NCC1(CC2CCCCC2)CCCCCCC1	158887277	IAWCEYIHVGFXSV-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CCN[C@@H](CCC1CC1)C1CCCCCCC1	159092352	MUAPNXKRQXUASJ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1CCCC1)NCC	162721125	XRENHUPNWRNQMM-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc(CC(=O)C2(C)CCCC2)cc1	164991394	PIUKKBQQWWYTQB-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)C2CCCCCC2)C1	227358595	HOYFPNVVZKHACV-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@@H](O)C2=CCCCCCC2)CCCC1	232898243	OYJGCBASCOGYMW-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C1(C)CCCCC1	233127729	KTQVMUYAEGGTJG-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)C(CC)CC	233589569	XKFVBMVHQNFTFI-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NCC	251380731	ROKYZZBARBFBAR-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@@H](C)[C@H]1C	251386786	SNMXORDIHOSSAO-LVQVYYBASA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CC[C@H](C)C2)CC1	253312230	VTBWBSANNIDPHY-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCC[C@H](C(C)C)C1	300316505	RTQHZMGVKJWDIO-BPUTZDHNSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1[C@@H](C)CCC[C@H]1C	300689983	JSZJNQGGXBVAMJ-QXSJWSMHSA-N	239.447	4.760	0	10	BJAE	
CCCc1ccc(-c2csc(CCC)n2)cc1	302525372	PZFGYRSCGFWKSN-UHFFFAOYSA-N	245.391	4.715	0	10	BJAE	
CCC[C@@](C)(CCCC(C)(C)C)CNC1CC1	305903790	DCNAZCRDLCJVRI-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC1(c2cc(Cl)cc(Cl)c2)CCCC1	306982696	RVWKNEZSSRMGDV-UHFFFAOYSA-N	229.150	4.825	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1ccc(C2CCC2)cc1	310614552	FIJIDDFRJUEHGS-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)c2ccccc2C(C)C)C1	311049957	HYTJXLPCAAYODC-KGLIPLIRSA-N	244.378	4.819	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@H]1CCCC1(C)C	311121023	XNYXTUFPXNZUAF-HOTGVXAUSA-N	246.394	4.670	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1cccc2ccsc12	318739628	KHTYWZVUBSLHTI-MISXGVKJSA-N	248.391	4.617	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@H](C)[C@@H]2C[C@H]2C)cc1	321988514	DTPSQBMQWRGGSG-UMPJEAMMSA-N	245.410	4.505	0	10	BJAE	
CCC[C@](C)(CNC)C[C@H](C)C1CCCCC1	383898866	WBHDHXWAAMARIR-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@H]1CCCC[C@@H]1C	384516768	IVHIVCMKMYNSCG-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)c1cocc1C	385420519	ARZJXTFBCQDNOB-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CCC[C@@H](C)[C@H](CCC1=CCCCC1)NCC	385632009	BJNXXWGMSARKBJ-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)N[C@@H](C)CCC(C)(C)C	386260622	MQTRIPIBCUEWEN-ZDUSSCGKSA-N	227.436	4.760	0	10	BJAE	
CCC(CC)CC(=O)c1cccc2ccsc12	386266131	XKPYEKPBMLBSJP-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1C[C@H]1CC(C)C	387663902	IEHRSAJCPUOVQA-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
C[C@H](Cl)/C=C\c1ccc(Cl)c(Cl)c1	393556602	PEYSITKMROLWJO-XDVGHUOJSA-N	235.541	4.634	0	10	BJAE	
CC[C@H](C)CCNc1cccc2ccsc12	394399858	HPKUXFPOIKNNFM-NSHDSACASA-N	233.380	4.749	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@H](C)C1CC1	394865212	OSKRWRDSHAJDGD-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](N[C@H](C)CC(C)(C)C)c1cccs1	395054895	NFSBENLMSYNVPY-VXGBXAGGSA-N	239.428	4.614	0	10	BJAE	
CCc1cc2cc(C(F)F)sc2cc1F	396190989	BWYABGXFTMMIHA-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cc(CC)c2cc(CC)sc2c1	396205411	KWBGRSQRNWCKMD-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)c1cc(C)ccc1C	401515858	KXQAZZJHAGLAIE-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCC1(CNc2ccc(Cl)c(Cl)c2)CC1	687536536	APYZFKIKKSYJDF-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CCCC[C@@H]2C)c1	689616543	ZIMJGEZYNAKILZ-XJKSGUPXSA-N	245.410	4.802	0	10	BJAE	
CCC(CC)Nc1cccc(SC(F)F)c1	690181292	UARAZVTTXHJDEO-UHFFFAOYSA-N	245.338	4.602	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(O)CC1CCCC1	691129008	RVEFKUMNBKZYDE-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCC)C(F)(F)CC	692364771	PQCPIGMXNDVJQF-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
C[C@@H](C(=O)c1ccccc1C1CCC1)C1CCC1	692794171	LNGCLWZDDPPMTF-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H](C)CCC(C)(C)C	695062868	RZYYMZDZOXGSFQ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC1CCCCC1)NC1C[C@H]2CC[C@H](C1)C2	697732499	FFVVEDRVSRPKOS-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	699051441	MGUVHOCJJWTVSF-DSJMHWKBSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H]1C[C@H]1C(C)(C)C	699804567	XXWFVADUQBBBMC-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CC[C@@]1(CNC(C)(C)C)CC1(C)C	702147741	MGCYGHGXWAHMHJ-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(NCCCCC(C)C)c1	703975233	ICRCZRLGGHCIHM-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@H]2CCC[C@@H]21	707841085	VLHNVOVEBZUPQD-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)[C@@H](C)CC(C)(C)C	708302964	UCCLHRPTFZHSDB-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
Cc1cccc(NC[C@@H](C)CC(C)(C)C)c1C	709098753	RLDMFJFCMAJIRK-LBPRGKRZSA-N	233.399	4.788	0	10	BJAE	
CCC[C@](C)(CNCC)C[C@H](C)CC(C)(C)C	709106924	PUBNPXIXYYJBMO-ZBFHGGJFSA-N	241.463	4.865	0	10	BJAE	
C[C@H](C[C@H](O)[C@H](C)CC(C)(C)C)CC(C)(C)C	709170766	XOOSHDFXWLFTCY-MCIONIFRSA-N	242.447	4.882	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CC(C)(C)CC[C@H]1C	713117398	KCIMNMNDDCUGSL-HZSPNIEDSA-N	239.447	4.616	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(O)CCC(C)(C)C[C@@H]1C	713147492	WCIDFRROHRFHSG-XJKSGUPXSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)/C=C1\CCC[C@@H]1[C@H]1CCCCN1	713151205	IFHICWYEGLTKGG-KBYULJEUSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1ccccc1C(C)(C)C	713177351	UPSUNKXJCNIAIT-OAHLLOKOSA-N	247.426	4.810	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1CC(C)(C)CC	713263136	JAROOVRPGRBUNR-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C=C/C=C\CC[C@H](N)C1CC(C)(C)CC(C)(C)C1	713750739	YOQYFABIMAWJRD-LZNQSLFOSA-N	249.442	4.689	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(CN)CCC=CCCC1	718971110	OJOXMCLUNKLYTK-JKSUJKDBSA-N	237.431	4.524	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(CN)CCC=CCCC1	719036584	UWYXMQJILCHZGP-INIZCTEOSA-N	237.431	4.524	0	10	BJAE	
CC[C@@H](C[C@H](O)CC1CC(C)(C)C1)C(C)(C)C	723531377	JHUBNTBHCJLTNO-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)Sc1ccc2c(c1)CCCC2	1644017522	BOQZARFBHYJKRG-LBPRGKRZSA-N	234.408	4.702	0	10	BJAE	
Cc1c(Cl)cccc1SC(C)(C)C	1775954650	YKRRCTXTCAXIMN-UHFFFAOYSA-N	214.761	4.539	0	10	BJAE	
C=C=CCCc1cc(Cl)c(Cl)cc1Cl	1900594323	ZZERSGUMPWWIEK-UHFFFAOYSA-N	247.552	4.921	0	10	BJAE	
CC=CCCc1c(C)c(C)c(C)c(C)c1C	1900898757	RZUMMTPZFNYAID-UHFFFAOYSA-N	216.368	4.737	0	10	BJAE	
CCC(C)=CCCC1(COC)CCCCC1	1900899135	WWXRVOUQPJRJEY-UHFFFAOYSA-N	224.388	4.720	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCCC1(C)C	1905390793	OYSACMMBQRRWOY-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C1(C)CCC(C)CC1	1910793593	JXKKGGFWRSACJF-IQXANGCESA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@H](N)C1CCC(CCCC)CC1	1912093429	CFONYTZMFJKSFA-JCYILVPMSA-N	249.442	4.833	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)C1CC2(CCCC2)C1	1912595423	BISLYJULAIMPRN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@]1(O)CCC2(CCCCC2)C1	1915854131	FUDWGCAEMQWQCQ-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
Clc1ccc(N[C@H]2CCC3(CCCC3)C2)cc1	1916420848	BKBUOEFAKZIHDU-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
CCNC[C@@]1(CC2CCC(C)CC2)C=CCCC1	1916561829	CMTQPQTXKLRWFM-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](c1ccccc1)C1CC(CCC)C1	1921177943	YUOWRFQONCOEFX-BDVYOWHSSA-N	245.410	4.554	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@H](C)C1CCCCC1	1924136655	UMBZYARKIOBBQB-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H]1C=CCCCC1)NC	1925900468	GRPXNVYOJAHNHF-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CCCCCC1CC1	1936427463	GOCZFGBXCRJECY-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](NC)c1csc(CC)c1	1936758642	JHPXXFIOXIVGKK-AWEZNQCLSA-N	239.428	4.541	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)CC1(C)CCCCC1	1940417640	XUMPQGYXRDMYML-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)CCC1(C)CC1	1940789396	BPPLZDDJRVDYBV-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)C(C)(C)C1CC1	1941135688	JVVXQFXDCKIDCC-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CCCC1CCC1	1941462825	GDPQQHNBLCZHNV-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@H]1C)C(C)(C)CC	1944819928	KPGSTQNMHNPZFI-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CCC[C@H]2C)CC1	1944821182	VZTXHYMGGPGBIQ-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC1(NCC(C)(C)C2CCCC2)CCCCC1	1946157411	BMGYERPACACWDV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H](C)CC(C)C)cc1C	1948323143	KFKINHRBRAGLKK-LSDHHAIUSA-N	233.399	4.786	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC2(C)CCCC2)CC1	1950930059	MIBCAZGPNWDZBC-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)CN(CCC[C@@H]1C[C@@H]1C)c1ccccc1	1970691980	OVFRPNUCBGDCGJ-JKSUJKDBSA-N	245.410	4.585	0	10	BJAE	
CC[C@@H](NCC(C)(C)C1CCCC1)c1ccco1	1971682191	XYSNIDQQDYWURU-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
C[C@@H](NCCC12CCC(CC1)C2)C1CCCCC1	1973945231	GEHUITGFEXRHNK-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(N)CCCCCCCC1	1980334603	QDTILBAMBFLIAN-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCC[C@H](O)c1ccc(Cl)cc1	1980679523	BBJXRMZOYXKZDM-AWEZNQCLSA-N	240.774	4.590	0	10	BJAE	
CCC1(C[C@](O)(CC)CCC(C)C)CCC1	1988434114	CFOZMHFWGBNDSN-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H](C)C1CC1	1995215399	VICLKYLDKHZYPZ-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
Cc1cccc(C)c1NC1C[C@@H](C)C[C@H](C)C1	1995686496	ILNDJDYWNNNKPH-RYUDHWBXSA-N	231.383	4.540	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCC[C@@H](CC)CC1	1997116716	MMHZWCUTQADFOT-OAGGEKHMSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)[C@H]1CCC[C@@H](CC)CC1	1997117559	RSUIVEQSUQSLCV-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
C[C@H]([C@H](N)C[C@H]1CCC=CCCC1)C(C)(C)C	1999988545	RHHAEMGTYYKVEY-QLFBSQMISA-N	237.431	4.523	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2CCC=CCCC2)CC1	1999988664	SEBIVAAISXXIQA-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)[C@H]1CCCC(C)(C)C1	2000028906	UXSRZCWMNGNGDF-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)N(C)CC(C)(C)C(F)(F)CC	2000892085	SLSGXHMJYZLRSB-GFCCVEGCSA-N	249.389	4.568	0	10	BJAE	
C[C@@H]1C[C@@H](N(C)CCC(C)(C)C)CC(C)(C)C1	2000896453	KREZFHPEIGSLHM-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@]1(CNCCC)CCCC(C)(C)C1	2002992778	FQFTZFRHLUCQFL-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC1(CC)CCC(N)(C2CC(C)(C)C2)CC1	2004343694	ARPOYUDUNHVTPZ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@H]1CC12CCCCC2	2004719363	QGSWUORDFGHAGO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@@H](NCCC)[C@H]1C	2006978256	ICLDMAWTONTYSM-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CCO)C[C@H]1CCCC2(CCCCC2)C1	2008716749	RGLXVPUQDWECAV-LSDHHAIUSA-N	238.415	4.536	0	10	BJAE	
CCCCCC1CC(O)(CCC(F)(F)CC)C1	2009718305	WDXGORNLOGGTEI-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CC(C)CCCCNC1CC(CC(C)(C)C)C1	2014656538	JEFLPRWPHDXSNG-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC1(O)CCCCCCC1)C(C)C	2015276204	WIHOPDYPJOYAPO-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC1(C(C)C)CCC1	2017139521	WFUNVRKNGRNSNW-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C1(C(C)(C)C)CCC1	2017159494	XLWJNKOZOXFNDW-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CC(C)=C(C)CNC[C@H]1CCCC(C)(C)CC1	2017465729	ICRJGUUIMDAGTK-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H](CC)CC(C)C	2017478541	SGLXCXLZDNJHFS-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CC(C)CC[C@H](C)N[C@]1(C)CCCC(C)(C)C1	2017623400	PTNWYOUQXJTRFT-GOEBONIOSA-N	239.447	4.760	0	10	BJAE	
CCCNC[C@H](CC)C[C@H]1CC[C@H](CC)CC1	2017724776	OGZCHYPRVSZILC-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](C[C@H]2CC[C@H](C)CC2)C1	2017775616	DTYPJRCLEJKNCC-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(CCCC(=O)C2CC2)CC1	2017775694	FLABXLCITQZQPD-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1C[C@H]1CC[C@H](CC)CC1	2017776600	QZTPMNDGUCQMBN-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@H]1CCC	2018129129	ATOKVNWRNFWNCN-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1(C(C)C)CCC1	2018131200	NIBLUZTZMLRNML-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1CC12CCCC2	2018134072	KWIUVKFYHSERIS-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@]12CCCC[C@H]1C2	2018579888	BDZMMJGRXFCELY-ARFHVFGLSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)CN(C)C[C@H]1CC[C@H](CC)CC1	2019297644	NIINLXAVYKZJCP-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
CCCCCC1CC(O)(C[C@H]2C[C@@H]2CCC)C1	2022452864	ANVNNBZXGAYMMR-PWUWZPNHSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC1(N)CCCCCCC1	2022495067	GJLYIJJQMGDXKE-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCC(C)(F)F)CCC(C)=C(C)C	2023310734	HQXOFBBQGGPWKQ-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@H](C)[C@H]1NC	2024004624	QQQBBLGGPNJXTI-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC(C)(C)C1(C)C	2025002950	DWOMNGAPAAXEQU-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1C=CCCC1	2026082413	QGJJQYGFDHMMCR-GJZGRUSLSA-N	236.399	4.908	0	10	BJAE	
C[C@H](c1ccc(F)cc1)N(C)C1CCCCCC1	2026874393	RYWDNTVLLZGYQG-CYBMUJFWSA-N	249.373	4.541	0	10	BJAE	
CCC(CC)C[C@H](NC)c1ccccc1C(C)C	2027517364	GJVCCMFSSDEXRY-KRWDZBQOSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1ccccc1C1CC1	2028559378	GEGZDQFTNQQSSC-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC2CCC=CCC2)C1	2028872389	FIGKICQMDCLCLS-GDBMZVCRSA-N	248.410	4.908	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCC1(C2CCCC2)CC1	2029738595	UCXSXIIJWDEXHL-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1ccccc1C1CC1	2029839540	ZWKJLTAEUBXAMG-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CCCc1ccccc1NCC1CCC(F)CC1	2032179442	RLBIZSGTAPAZAV-UHFFFAOYSA-N	249.373	4.579	0	10	BJAE	
CCC[C@](N)(C[C@@H]1[C@H]2CCCC[C@H]21)C1CCCC1	2032819508	HEQAJDMGTVIGDI-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CCCC1(C)C	2035593167	PJURDNDTIVMXDW-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)c1cccc(C(C)C)c1	2036387692	CMMYVISVUOKBIM-YOEHRIQHSA-N	248.410	4.700	0	10	BJAE	
CCC[C@](N)(C1=CCCCCCC1)[C@@H]1CC1(C)C	2037074956	DCDAFIKYBCADHS-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@H]2C=CCCC2)CC1	2037304880	JWLKJYFAQLDTIY-GVDBMIGSSA-N	249.442	4.667	0	10	BJAE	
CN([C@H]1CCC2(CCCC2)C1)C1(C)CCCCC1	2037678005	HVQZSICCQIOBDI-HNNXBMFYSA-N	249.442	4.754	0	10	BJAE	
CC1(C)CC[C@H](Oc2ccccc2C(C)(C)C)C1	2037681150	DDMQSZAMPISYJI-ZDUSSCGKSA-N	246.394	4.942	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CCNc3ccccc32)C1	2037698710	PKIDGTXDKHUCED-KBPBESRZSA-N	243.394	4.802	0	10	BJAE	
CN[C@H](CC1=CCCCCCC1)CC1CCCC1	2038107138	DGMNBGODZRYPGN-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCC1CCC([C@H](N)[C@H]2C(C)=CCC[C@H]2C)CC1	2039442139	QWFYEJDZBOQESP-WXGPCXSOSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C2(CC)CCC2)cc1	2039719611	JGGUQXLILVWDTN-BBRMVZONSA-N	245.410	4.780	0	10	BJAE	
CN[C@@H]1C[C@@H](C2(C)CCCCC2)C12CCCCC2	2039843465	JVRULLBXAGEYCP-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1CC1(C)C)C1CC=CC1	2042024898	QEWBVVBTYBOKAL-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(N[C@@H](C)CC2=CCCCC2)CC1	2043190073	GROCZPSEHOKJBS-UQPPLGOBSA-N	249.442	4.824	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C2CC3(CCCC3)C2)C1	2045506128	OVDIRTONKIIBJX-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CCC3(CCCCC3)CC2)C1	2046578824	INTBYVBFSYMJCM-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC(C)=CC[C@]1(CNC(C)(C)C)CCC12CCC2	2047943083	OVIKCVDWRLMWCU-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CCC2=CCCCC2)C1	2049537903	VSKSUGCENNTQIJ-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](N)C2=CCCC2)CC1	2049637862	FELVINKQZLFIDP-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)[C@]1(C[C@H]2CCCC3(CC3)C2)CCCN1	2049856913	MDVWAHPCKKGBQW-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@H](N)[C@@]2(C)C=CCCC2)C1	2050009542	YWHRNFVUFWLDNH-BIVLZKPYSA-N	249.442	4.523	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC12CC2)C1CCCCCC1	2053316688	VYSMVUQBUYBQTE-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCNC[C@]1(C2CCCCC2)CCCCC12CC2	2053360436	VHBPYDUTZMJFRV-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCC1CCC(CN[C@@H]2CCCC(C)=C2C)CC1	2055552597	QPDKUCASKWUXDA-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H](CCC(C)C)C2CC2)CCC1	2055553207	XALVHNJMXZUSCQ-IRXDYDNUSA-N	249.442	4.680	0	10	BJAE	
CC=CCC1(CNC(C)(C)C)CCC2(CC2)CC1	2056524994	BRBQDZFZFOBYTB-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC1CC(C2CCC2)C1	2056639292	FGBJQLKCKOFZKI-PGEKIEPBSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C[C@]2(N)C[C@@H](C)CCC2=C(C)C)C1	2056711823	CCVOUBVWYFYVAF-PBMMVSLJSA-N	249.442	4.667	0	10	BJAE	
CC=C(C)[C@H](NCC)c1ccc(C(C)(C)C)cc1	2056783011	QWFNSXARZUGYDY-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2056873627	PEESZBRNARXJQV-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@@H]1CCC[C@H]2C[C@@H]21	2057367383	ZNVWOYRNJSBBCY-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@](C)(N)c1ccc(C(C)C)cc1	2059196985	TWJMVPNERZFWGU-QGZVFWFLSA-N	245.410	4.730	0	10	BJAE	
C/C=C/CCC[C@H](O)c1c(C)oc2ccccc12	2059223078	INCPDSZZEBVTGF-XGACYXMMSA-N	244.334	4.521	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@](C)(N)C2CCCCC2)CC1	2061119442	PFHVBZVRFWMBKW-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC[C@@]12CCC[C@@H]1C2	2061593741	VQNNZBBSKWXUIT-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]1C[C@@H](C2CCCC2)CC2(CCC2)C1	2063643260	ZORVZJTUAIHPJO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](N)C23CCCC2CCC3)CC1	2063830369	MZACUHSJCZVHOP-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCNCC23CCC(CC2)CC3)CC1	2065263427	YNYROKSDZDXUAJ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC[C@H](C3CC3)C2)CCC1	2069343361	YXXIWOFJNQFGPF-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](NCC1(CC2CC2)CCC1)C1CCCCC1	2069504385	AGSQASVRNYDJJT-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C1(CC2CC2)CC1	2069510528	CTSPQPIMEYMCNF-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C[C@H](N)C2(CC3CC3)CC2)CC1	2069513889	GOLLAFSPPJAWFG-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1C[C@H]2CCC[C@@H]2C1	2070310370	SKJJEAPPRVYPMO-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CCC1(CC)CCC(N[C@H](C)C2CC=CC2)CC1	2070813808	GSJOZPHYMGTZCK-CQSZACIVSA-N	249.442	4.680	0	10	BJAE	
CCC1CCC([C@@](C)(N)C[C@@]23CCC[C@H]2C3)CC1	2070925811	JPMUVFHQRFISNQ-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NCC1(C(C)(C)C)CCC1)c1ccccc1	2071936709	QUZLHQSZXIQVLK-AWEZNQCLSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@]2(C)C=CCCC2)CC1	2072801918	RYFAYRSXQASDCY-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(C[C@H]2CNC3(CCC3)C2)CC1	2072814785	GBDIUCMBPJTLBT-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@]23CCCC[C@@H]2C3)CC1	2074023383	CDQSJVYTWGMMPN-QBPKDAKJSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@@]23CCCC[C@@H]2C3)C1	2074025292	NMNPAIWXRNNZIM-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@]12CCCC[C@@H]1C2	2074025602	PNFWJDDTOVZJCF-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC1([C@H](N)C[C@@]23CCCC[C@@H]2C3)CCCCCC1	2074030797	VPNYNFQVBBWJNJ-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@H](N)c2c(C)cc(C)cc2C)CC1	2074569715	VIYPCMJTWAJFAZ-OAHLLOKOSA-N	245.410	4.582	0	10	BJAE	
C[C@H]1C[C@@H](CC2(CCF)CC2)Nc2ccccc21	2074623339	GXQNLTOYPGGLEC-STQMWFEESA-N	247.357	4.504	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@H]3CCCC[C@@H]3C2)CC1	2074627656	WXUZCWIBWLPUFW-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CCCN(CCC2=CCCCC2)CC1	2075147464	JDOACKRZKCVBNE-INIZCTEOSA-N	249.442	4.779	0	10	BJAE	
CCCN(C[C@H]1CC=CCC1)C1CCCCCC1	2076550616	JTBXARZCNRUIKW-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCCNC23CCC3)CC1	2076651110	RISKDHPZXYSXSL-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccccc1C1CC1	2077262635	WTYMHTFVRYRGSZ-ZBFHGGJFSA-N	243.394	4.945	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1C[C@H]1c1ccccc1	2079841975	LTOYBJIKBDUYIY-ZBFHGGJFSA-N	244.378	4.576	0	10	BJAE	
CC1CC(C(=O)C[C@H]2C[C@H]2C2CCCCCC2)C1	2079855040	YIDMYPZQMZCWMO-UHDQLFAASA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@@H]1C[C@H]1C(C)(C)C	2079864935	NKWQCXYGVHYNHV-UONOGXRCSA-N	244.378	4.558	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@@H]2C2CCCCC2)CC=CC1	2079866565	RRGBXDFTPXPPHI-HUUCEWRRSA-N	246.394	4.518	0	10	BJAE	
CCC(C)(C)C[C@H](NC)c1cc(C)cc(C)c1C	2082923605	VWIQTDLIPAYWKI-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@H]2C[C@@H]2C2CC2)C1	2082984868	FAJJFEZAZYHDGJ-IVMMDQJWSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC(=O)CC1C2(CCC2)C12CCC2	2083535672	DSLSZFVVVXSPEU-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](O)(CC)CCCCCCC1CC1	2210526933	LKTBGPYMZABVKL-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2213288346	UTKUKUDLUHNBGH-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C(=O)CCCCCCC1CC1)C1CCC1	2213581482	WYTOLLPURORRHZ-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)CCC1CC1	2214571254	XCRDUIZDEPKZHV-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1CCC1(N)CCCCCCCC1	2215253567	RHFSXTWTCIVMFT-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC1(C)CC(C)(C)C1	2215428320	BLAOSUSOKWRGTN-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CCCC(C)C)C1CCC1	2217125962	RZNFTLFYFKOWGC-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](CNC1CCC1)C(C)C	2217154768	WWEBOCWWVKEACO-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CC[C@H]1CCCN([C@@H]2CCC(C)(C)C2)C1	2218154597	CEVQMFGLRILFCP-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CC1(CC[C@@H](N)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218357814	IKZNLBLQAPFOBY-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H]1CC[C@@H]1C)c1ccccc1C(C)C	2220557304	GYJUOFBNQKCRBB-GRDNDAEWSA-N	245.410	4.507	0	10	BJAE	
CC(C)c1cc(NC(C)(C)C2CCCC2)ccn1	2220890725	QEMOMOVGGNMGCF-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@](N)(CC2(C)CC3(CCC3)C2)C1	2221040622	PFVVUCXIVRKTOP-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@]1(C)CC=C(C)CC1	2221630547	JMECNJXAFISJKC-SLLSNFPASA-N	249.442	4.847	0	10	BJAE	
CN[C@@H](c1c(C)cccc1C)C1(C)CCCCC1	2222011727	PBUKZWGQOXFVCZ-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@@H]1CC12CCC2	2223122021	UBRZXCRVUZKAFP-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC[C@H](C)C(=O)CC[C@H](C)CCCC(C)C	2244838795	WDXDMWKLQZFHHJ-KGLIPLIRSA-N	226.404	4.844	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@H]1CCC1(C)C)NC	2247312010	DTKVYQDUAVQCIP-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(C[C@@H]1CCC1(C)C)C1CCCCC1	2247344467	BNONEBXQUQOKJC-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C[C@@H]1CCC1(C)C	2247448316	SLXDUAZXDGLSRB-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](C)(O)CC[C@H]1CCCC12CC2	2247653042	ZJVJRVHMHIVWPX-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)CNc1cccc(C2CC2)c1	2250377347	DFQAAFLBNSYZJM-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
CCNCC(C)(C)CC[C@@H](C)CCCC(C)C	2250490399	IRYZIBWYHAXJFG-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)CN[C@@H]1CC(C)(C)CCC1(C)C	2251667644	WBRNXJGYLCTUCD-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC1CCCC1)CC1CC2(CCCC2)C1	2254115322	XOSCBEBOWAOQIT-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@](C)(N)C1CC2(CCC2)C1	2254586974	YYAICZJMTPBAIL-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C[C@]1(CNC2CCC2)CCC12CCC2	2254863598	PGJIONLTJNOQGK-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](N)CC2=CCCCC2)CCC2(CC2)CC1	2255096199	JPBZXLYDJISJFU-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C[C@H]1CCCC12CC2	2255222065	CJDQLVYNTHQNAL-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](N)C[C@@H]2CCCC23CC3)CCC1	2255224032	HQSYIESQEGVLMO-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(NCC[C@H]2CCCC23CC3)ccc1F	2255332552	QAMJHDLKENIZEW-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@@]23CCC[C@@H]2C3)c1	2257904994	FNQNPHLDBACVRY-PBHICJAKSA-N	243.394	4.586	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@@]12CCCC[C@@H]1CC2	2260489218	KLMRQPCXPKMMBB-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(NC[C@@]23CCC[C@@H]2CC3)ccc1C	2260592522	QUEUZAMXGLKUQQ-WBVHZDCISA-N	243.394	4.550	0	10	BJAE	
C[C@H](C[C@@]12CCCC[C@@H]1CC2)[C@H]1CC[C@H](N)CC1	2260653173	XGPSMYBQAUQOOK-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@]23CCC[C@H]2CC3)CC1	2260653460	YVYFYWHUKLJYBB-UMAGBFNSSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1CC(CC)C1	2300872989	VEBVDFLZYUVVCI-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@@H]1CCCC(C)(C)C1	2300875007	QKYOUDPANSMKNO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(O)CC1CCCCCC1	2301138331	UHQZGOOLMHCTNN-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)C1(C)CCCCCC1	2301958895	OKXVFNZMPJQGQN-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
C[C@H](NCCCC1=CCCCC1)c1cccs1	2302318805	XRONJULOCFOJOY-ZDUSSCGKSA-N	249.423	4.679	0	10	BJAE	
CC=C(CC)[C@@H](CCCCC1CC1)NCCC	2302580186	QEVACYTUAJXFBO-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@H]1CCC(C)=C(C)C1	2303577669	QIDXZAIYMPRMSD-CWRNSKLLSA-N	237.431	4.667	0	10	BJAE	
CN(C1CCCCCCCC1)[C@H]1CC[C@@H]2C[C@@H]2C1	2309419238	HKXUJWHKFBHUQD-INMHGKMJSA-N	249.442	4.610	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCC[C@@H]3CC[C@H]23)c(C)c1	2309516340	LYUSYZYNFAPDCU-PMPSAXMXSA-N	243.394	4.602	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)C[C@@]12CCC[C@@H]1C2	2310388398	XILBQROGTUUTBD-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@@]1(CCC[C@@H]2C[C@@H]2C)CC=CCC1	2310434092	BVXVAEDSGUBMKF-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCC(=O)[C@H]1C[C@@H]1C[C@H]1C1CCCCC1	2311948190	IZLYNSYZXZXLJA-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
CC(=CC[C@@]1(N)C=C(C)CCC1)CCCC(C)C	2316502899	MZROKCBOKWSWGT-QGZVFWFLSA-N	249.442	4.977	0	10	BJAE	
CCCc1nccn1CC=C(C)CCCC(C)C	2316513297	PTTXFTAYOVXCLC-UHFFFAOYSA-N	248.414	4.608	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1cc(C)cc(F)c1	2316539508	LCGUGBUXOYELIT-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCCC1CC(N)(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316885470	QRFMINDUMVLYDY-VPABYTGTSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCCC1)[C@H]1CC2CCC1CC2	2316997995	FVKKYOKCPYRAND-GPANFISMSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@@H](C)[C@@H](C)C(C)C)cc1C	2317830629	IUJXFWYKEDXEQA-ZOBUZTSGSA-N	247.426	4.540	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@@H]1CCC2(CC2)C1	2317906968	MJTWCXZBRITWFP-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1cc(C2CC2)ccc1F	2317989303	JXUMHRPQCNKHRK-NWDGAFQWSA-N	249.373	4.796	0	10	BJAE	
CCC[C@H](CC)C(=O)Cc1ccccc1C1CC1	2319149666	MSGATTFGBJQXSX-ZDUSSCGKSA-N	244.378	4.502	0	10	BJAE	
O=C(CCCCC1CC1)CC[C@@H]1CC[C@H]1C1CC1	2319735565	YAQVHOIBAVGMFX-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(OC[C@@H]2CC[C@@H]2C(C)(C)C)cc1	2320255692	XFAWFVCRYOFQFV-HOCLYGCPSA-N	246.394	4.700	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@@H](CC2CC2)C2CC2)C1	2320691527	FMZKKRWLKBFAHH-KCXAZCMYSA-N	248.410	4.598	0	10	BJAE	
CC1([C@H](N)[C@H](CC2CC2)C2CC2)CCCCCC1	2320815307	ZPKSLXOOKPEOHF-HZPDHXFCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@]2(C)CC=CCC2)C1	2321612281	ZLXZOLSXWKYSRF-YQQAZPJKSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](CCC2(N)CC3(CCCC3)C2)C1	2321651714	PVIPXFOTZRFXOB-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1C[C@@H]1[C@H](N)c1cc(C)ccc1C(C)C	2327706654	BVFNPLLYNPTTEC-QRTARXTBSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)c2ccco2)c1F	2327811178	GVNLUZFWDRZJCW-NSHDSACASA-N	247.313	4.715	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)CCC(C)C)c(C)c1	20548037	NHKGVHKAZJQSSG-CVEARBPZSA-N	247.426	4.779	0	10	BJAE	
CCCc1ccc(N[C@@H](C)CCC(C)C)cc1	21060493	NUVKPTXNJJZIKY-AWEZNQCLSA-N	233.399	4.876	0	10	BJAE	
CCCCCCN[C@@H]1CCCC[C@H]1C(C)(C)C	22147770	AQWYASVCPHPRNQ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](c1ccc(C)c(C)c1)C1CCCCC1	35509496	ZFDQTNCVOFWYCW-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc2c(O)cccc12	37316948	RZZYYRBUEQLLKA-GFCCVEGCSA-N	243.350	4.536	0	10	BJAE	
CCC[C@H](N[C@@H](C)[C@@H](C)CC)c1cccs1	49541333	SGYFWOOREPIWQD-AVGNSLFASA-N	239.428	4.614	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(C)cc1C	69631071	GZHJTYUPWMASKD-AWEZNQCLSA-N	219.372	4.684	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1cc(C)ccc1F	70977746	ODKCTKADTNKQRV-TZMCWYRMSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(CC)CNCC	71128100	NDONCIBWANWMJH-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CCCC1CCC(c2ccc(F)cc2)CC1	79605357	GXMLXDAPXSEBBT-UHFFFAOYSA-N	220.331	4.900	0	10	BJAE	
CSc1ccccc1N[C@@H]1CC[C@@H](C)[C@@H](C)C1	84984078	AHFMYRRJVRROME-FRRDWIJNSA-N	249.423	4.645	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@H](C)C[C@@H]2C)c1	85085480	HRAUNXJMAZGGAT-TUKIKUTGSA-N	231.383	4.540	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2CCCC(C)(C)CC2)C1	86897475	ZNROMCNGXIAEGH-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Oc1cc(C)cc(C)c1	87439608	SSIQZNKGGMTJFQ-HOCLYGCPSA-N	232.367	4.651	0	10	BJAE	
CCC1CCC(C(=O)c2ccc(C)c(C)c2)CC1	87934073	CRAWOWXHXFDOJY-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCN[C@@H](CC)c1cc2cccc(C(C)C)c2o1	88074823	HBYHYQYSVZLWJG-AWEZNQCLSA-N	245.366	4.617	0	10	BJAE	
CCCC1CCC(N[C@@H](C)C[C@@H](C)CC)CC1	88296969	UTTQZWWWHNMFTH-FXQLRMTLSA-N	239.447	4.760	0	10	BJAE	
CC(=O)c1ccccc1C1=C(C)[C@@H](C)C(C)=C1C	90375429	DTCWKIOCCPFBBP-JTQLQIEISA-N	240.346	4.649	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)c1cscc1C	94247395	IUAPXJGLTLDAFI-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCCCC2(C)C)c1	94274267	BQQGPWLUAFEHFA-HNNXBMFYSA-N	231.383	4.684	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CS[C@@H](C)C2)cc1	94471361	DOVRFPIUUHGCFK-HUBLWGQQSA-N	249.423	4.506	0	10	BJAE	
CCCCc1ccc(N[C@H](C)c2ccoc2)cc1	94867665	KAJAKAYFXXOOPI-CYBMUJFWSA-N	243.350	4.795	0	10	BJAE	
CC(C)(C)C1CCC(NC[C@@H]2CC=CCC2)CC1	109943418	RMMSMEDMRQEXEI-QQFBHYJXSA-N	249.442	4.537	0	10	BJAE	
CC(=O)[C@]1(C)CCC2=C([C@@H]1C)C(C)(C)CCC2	113264226	YQYKESUTYHZAGG-MEDUHNTESA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@@H](C)CC1CCCC1	128579398	WZDDDLDRCWNXGR-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
CC1CCC(c2nc(C(C)C)cs2)CC1	131944325	AQACTZPHHRUXSD-UHFFFAOYSA-N	223.385	4.560	0	10	BJAE	
Cc1cc(Cl)c2nc(Cl)ccc2c1Cl	132308730	WHSBOZJHZXYXDC-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
Cc1ccc(N)c(-c2ccc(C3CCC3)cc2)c1	133381954	IAHDUMQQRLKICQ-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCN[C@@H](c1ccc(CC)c(CC)c1)C(C)(C)C	135352943	BUZWTZHVVUEAOX-INIZCTEOSA-N	247.426	4.508	0	10	BJAE	
O=C(CCC1CCCCCC1)c1ccccc1	149420087	MEUSUWBPTAIVNJ-UHFFFAOYSA-N	230.351	4.620	0	10	BJAE	
CC(C)CC(O)(CCC(C)(C)C)CC(C)C	163706381	ZBMUKCFZHWBFCL-UHFFFAOYSA-N	228.420	4.636	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccccc1C(C)(C)C	163839966	AOWYAFYNOMIOEK-ZFWWWQNUSA-N	245.410	4.975	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@H]1CCCC(C)C	166350055	YLUWPJWFIZGDFB-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CCCC1CCCCC1)C(C)(C)C	203531828	DOJBLZVGKBWXAY-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(COc2c(C)cccc2C)s1	213650759	XOJJVWOCBWLJBO-UHFFFAOYSA-N	246.375	4.506	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@@H]1CCC[C@@H](CC)C1	221506090	MEQSPTJDYFLSKJ-KLHDSHLOSA-N	239.447	4.760	0	10	BJAE	
CSc1ccc(N[C@H]2CCC[C@H](C)[C@@H]2C)cc1	221618411	BWXYBYHJXPFUPD-HUBLWGQQSA-N	249.423	4.645	0	10	BJAE	
CCCN[C@@H]([C@@H]1CCCCC1(C)C)C(C)(C)C	226832627	QKRRWHLADHYDCI-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CC[C@@H](C)c2ccccc21	228129667	KNMGQIUOIDPXLL-JKIFEVAISA-N	245.410	4.793	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@H](N[C@@H](C)c2ccco2)C1	230767214	PSZUDIQCLXZMBD-RRFJBIMHSA-N	249.398	4.535	0	10	BJAE	
CCCCC[C@@]1(N)CCC[C@H](CC(C)C)C1	230790049	ZJHXYAVCDPGQLV-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@@H](C)c1c[nH]c2c(F)cc(F)cc12	232627371	UHSUEHMGEIUECT-SECBINFHSA-N	237.293	4.596	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)C1(C)CCCCC1	233271587	DUEMYSVMSNNGLH-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC(c2cccc3c2NCCC3)C[C@@H](C)C1	235375997	LAXJKKKUVXUWDP-STQMWFEESA-N	243.394	4.584	0	10	BJAE	
Cc1ccc([C@H](N)C2=CCCCCCC2)c(C)c1	235910371	JMAFHPOHPSODQS-QGZVFWFLSA-N	243.394	4.584	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	252904360	QCIACDIYOZDHSC-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@@H]1CCCC[C@H]1CC	253054890	YKHOAFVEWKQEBM-BMFZPTHFSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CC[C@@H](C)[C@H](C)C1	253056488	ZCXFLQQVXMPHJE-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)[C@@H](C)CCC	300846245	AMGVHCPIYMZWTK-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)C[C@@H](C)CC(C)(C)C	302272393	DCVWQAAWEMHLMZ-RRFJBIMHSA-N	242.447	4.882	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1CCCCCCC1	302330184	SGNPZPLLJDMZCA-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cc(OC)ccc1C	306031706	WJDYMJFJNQRQBX-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CCc1cc(N[C@@H]2C[C@H](C)CC[C@@H]2C)ccc1C	306057619	VWYVHMPDGBRULW-HACGYAERSA-N	245.410	4.794	0	10	BJAE	
CC(C)C[C@H](C)c1ccc2c(c1)CC[C@@H](C)N2	306090921	JKGXHUXERIIHIS-QWHCGFSZSA-N	231.383	4.583	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)C[C@H]1CCC[C@H](C)C1	310125598	JCDHHRUDIURALP-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@H](C)C1CCCCC1	310370242	XNHIQQMBKASDLJ-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](NC1CCCCCC1)c1cccc(C)c1	310687037	MPFVAAILASPMKK-QGZVFWFLSA-N	245.410	4.759	0	10	BJAE	
CC(C)(C)CCCN[C@H]1CCCC(C)(C)CC1	313257763	VTXNGVNQWYNENM-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCNC[C@]1(CC(CC)CC)CCCC[C@H]1C	317498562	LFQIQTKOFJVAES-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCNCC1(C(CC)CC)CCC(CC)CC1	318149687	WEZOLCIOOPYZJY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](N[C@@H](C)c1cc(C)ccc1C)C1CCC1	322468340	NRIDJJLMXNWZPN-WMLDXEAASA-N	245.410	4.533	0	10	BJAE	
CCCN[C@H]1CC[C@@H](CCC2CCCCC2)C1	383123752	CTJVVUMCIDYXBL-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)CC(C)(C)C	384602499	NVHPJJZMCPNSJB-UONOGXRCSA-N	227.436	4.760	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCC2=CCCCC2)C1	384862055	OOGQKHPZOBSZKJ-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2ccsc2Cl)C1	387242926	PBPAMXOXSRSIME-SECBINFHSA-N	243.803	4.782	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CC12CCCCC2	395235523	RGGDRBGIGORNPQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCc1c(C(F)F)sc2cc(F)ccc12	396201231	RDFJOXQHNCUWJY-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cc2cc(C(F)F)cc(S)c2s1	396233717	CFYMHPZWSLJOGO-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCNC[C@@H]1CCC(C)(C)C[C@H]1CC1=CCCC1	400602498	CYTSLZRIUVZABY-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1cccc(F)c1C	401796763	ITYJKEPZXKEOOD-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2CC=CCC2)CCCC1	402265075	SRWUVQCTHFXZTR-HNNXBMFYSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC[C@@H]1Nc1ccc2c(c1)CCCC2	404631543	HAIIFSOLHDAIMJ-INIZCTEOSA-N	243.394	4.556	0	10	BJAE	
CCN[C@H](CCC(C)(C)C1CC1)C[C@H](C)CC	405826186	REZAWYIEPNEOBJ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCC(C)(C)C1CC1	405831413	SXFNFRNNVSKOEP-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2cccc(C3CC3)c2)CC1	690079080	XIKIYJIKBOGYHD-CZUORRHYSA-N	243.394	4.945	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCCCCC(C)C	691099949	LFFIQHNNTSDZHL-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@]1(O)CCCCC[C@@H]1C(C)C	691136127	QETUMSPYCUADEN-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](C)N[C@H]1CCCCC[C@H]1C(C)C	691169184	SQDXPFZQVNCLBV-JYJNAYRXSA-N	239.447	4.616	0	10	BJAE	
CC(C)(CC(=O)C[C@H]1CC2CCC1CC2)C1CC1	691700820	OYVAIPCINIQLGE-JXQTWKCFSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCC12CCCC2	696677644	KMBDTJLHMIZOTD-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)=CCC[C@H](O)c1cccc(C(C)(C)C)c1	697598603	KKBFIYYBGZODHD-INIZCTEOSA-N	246.394	4.764	0	10	BJAE	
Cc1ccc(-c2cccc3ccsc23)c(O)c1	699705750	ILTBROKJZJAJQY-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCN[C@H](CC1(C)CC1)c1cccc(C(C)C)c1	701567814	LZLAFLUVSNEKQR-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCCC1(NCCCCC(C)C)CCCC1	703966003	SRWIODVLTCKSRW-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(N)(C2CCC2)C2CCC2)C1	705333040	DRUCPPHHPSPUPY-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@H](C)CC(C)(C)C)C1	708313274	HFBXRQHBKYTTLX-LJISPDSOSA-N	239.447	4.602	0	10	BJAE	
CCC1([C@H](N)C[C@H](C)CC(C)(C)C)CCCC1	709123783	DZZQFIUMFMRUFT-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
C[C@H](NCCCC1CCCC1)[C@@]12CCCC[C@@H]1C2	709151666	NDEXUPHSISESNT-UAGQMJEPSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC1CCCCCCC1)[C@@]12CCCC[C@H]1C2	709153744	JNVSVYRKJRDHOQ-ZOBUZTSGSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1cscc1Cl	710432220	KGWUZUUQVRRTDZ-SECBINFHSA-N	244.787	4.801	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C12CCC(CC1)C2	710956378	ZXSIBZGEGDBVFY-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C[C@@H](CC)C(C)(C)C	711105498	NLPXCOUPTIDKRM-RWMBFGLXSA-N	226.404	4.700	0	10	BJAE	
CC[C@H](C[C@H](N)[C@H]1CCCC[C@H]1C)C(C)(C)C	711193711	SZDJUHACFGYTHP-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CCc1ccc([C@@](C)(O)CC(C)(C)C(C)C)cc1	713180588	BLRIXLDYAWRSGH-KRWDZBQOSA-N	248.410	4.529	0	10	BJAE	
CCCCC1CCC(N)(CC(C)(C)CC)CC1	713207889	DLORYEZQFZCMEP-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
C=C/C=C/CC[C@H](CC1=CCCCC1)NCCC	713741091	SPBULSBKSGSCIB-FUTAKVPZSA-N	247.426	4.768	0	10	BJAE	
CC(C)=CCCc1c(O)cc(C)c(Cl)c1C	718619604	POYARAFSXDUKBQ-UHFFFAOYSA-N	238.758	4.561	0	10	BJAE	
CC(C)=C(C)CCCCc1ccc2c(c1)CCO2	718672685	OBTBINMQXXDAPO-UHFFFAOYSA-N	244.378	4.691	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@H]1CCCCCC1(C)C	719221938	VGINJOWFSCKELA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1csc(C(C)(CC)CC)n1	721691051	JNQCXEMPEOQYTL-JTQLQIEISA-N	225.401	4.734	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CC[C@H]2CCCC[C@H]2C1	723615971	TZNBGGOSHUUQHC-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
Cc1csc(C)c1C(=O)C[C@@H](C)C(C)(C)C	724947175	WVMSRMWILUYPBL-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
CCCCCC[C@H](NC)c1c(C)csc1C	724963566	XGVUHFGYRPKIBB-ZDUSSCGKSA-N	239.428	4.596	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCC(F)(F)C1	1258432435	QLGVXPHXPGYPJH-QWHCGFSZSA-N	247.373	4.513	0	10	BJAE	
Cc1ccnc(SCCC2CCCCCC2)c1	1307395296	ARMPFUQHHVUZMP-UHFFFAOYSA-N	249.423	4.843	0	10	BJAE	
C[C@@H]1CC[C@H](Sc2cc(Cl)ccc2F)C1	1473029021	CIZCSYAVQKXZQN-SCZZXKLOSA-N	244.762	4.760	0	10	BJAE	
CC(C)CN(CC1CC(C)(C)C1)c1ccccc1	1645569987	IFDYEZQLGCCRAO-UHFFFAOYSA-N	245.410	4.585	0	10	BJAE	
CC(C)(C)Sc1ccc(Cl)c(Cl)c1	1775954565	RNTRABIBYKAUDB-UHFFFAOYSA-N	235.179	4.884	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCCCC23CCCCC3)C1	1875414353	LPUNBGLVICPPKO-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCCc1ccc(-c2csc(C)c2)s1	1889520063	YAHKNBSZCPNXGV-UHFFFAOYSA-N	222.378	4.738	0	10	BJAE	
CCc1cscc1N[C@@H](CC)C[C@H](C)CC	1902390749	NFLFVEWGURYHNO-YPMHNXCESA-N	239.428	4.937	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CC(=O)C[C@@H](CC)C1	1905431525	KRBYKUMVNTVMSC-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)C(C)(C)CC	1905443420	HTAJUAORAQVJAI-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
N[C@@H]1CCCCCCCC[C@@H]1C[C@@H]1C=CCCC1	1913384740	QWDUCCUNBUTRNW-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CCC2(CCCCC2)C1	1915901631	HHOMCPFBQZSYHX-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCC3(CCCC3)C2)C1	1916440782	DUJOUXVLVQVKNW-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1CCC[C@H]1C	1920195897	FKEOVTHCNUMRSM-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H](C)C1CCCCC1	1924086847	PLDUYQLEPMKUST-WBVHZDCISA-N	249.442	4.703	0	10	BJAE	
CC[C@](C)(CNC(C)C)C[C@@H]1C=CCCCC1	1925810401	TVMYATYDDFYHOO-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC[C@@H](Oc2cc(Cl)ccc2Cl)C1	1934210622	XJESVMIMJZAZRX-WCBMZHEXSA-N	245.149	4.561	0	10	BJAE	
CCCC[C@@H](CC)CCC(O)(CC)CC	1934424287	UUNBRNUBKUBHPC-CYBMUJFWSA-N	214.393	4.534	0	10	BJAE	
CC[C@H](C(=O)c1cc(C)ccc1Cl)C(C)C	1936211099	NXOZOFMLVXDTIF-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
CCCC[C@@H](C)C(=O)CCCCCC1CC1	1936416390	CXYONASGFWAXHG-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](NCC(C)(CC)CC)[C@H]1CC1(C)C	1941360764	SDJODEMZULXIOZ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](N)C(C)(C)C1CCCCC1	1944678819	CNVYNKALROKBIU-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cccc2sccc12	1945971238	YCDPJUSFWMCQDA-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1c(C)coc1C	1947524891	DUGZHVUGGIJFRC-KBPBESRZSA-N	238.371	4.536	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CCCCC12CCC2	1947880823	HTWDFGBUSKZTLP-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CCCC(C)(C)C	1948983999	PQYYDBHXSSVKDG-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CC=CC[C@H](C)c1cc(CC)ccc1OCC	1951308387	FXLYNVMRNHEJOE-ZDUSSCGKSA-N	232.367	4.717	0	10	BJAE	
CCC(C)(CC)CNCc1c(C)cc(C)cc1C	1964072287	BHMAVPYRQGMLCW-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)c1ccc(C)c(C)c1	1973163848	KQGBXSDQEIGBIM-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CCC(CC)(CC)C(=O)CCC(C)=C(C)C	1978456173	SNDJSKVTLKBSIV-UHFFFAOYSA-N	224.388	4.908	0	10	BJAE	
CCCC(CCC)[C@H](CC=C(C)C)NCC	1981011494	WPRKLNYTDJIUTP-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](C)CC1(O)CCC(CC)(CC)CC1	1981066276	STBJAQYDQBUYSJ-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCC1CCC(CC[C@H](N)CCC)CC1	1989813756	GFEAUKWLAWJZCS-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C)N(C)[C@H](C)c1cccc(Cl)c1	1990820803	JIOARRPLTYGMBY-VXGBXAGGSA-N	239.790	4.521	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@H]1C=CCCCC1	1990987542	NIHBZDWJNVSZKV-ZDUSSCGKSA-N	236.742	4.526	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCC)[C@H](C)CC	1995264101	UMAMROYWRZRHRY-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@H](C)CN[C@H](C)C1(C)CCCCC1	1995979602	FFOGUFIKFHAKJT-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)C1CCC(C)(C)CC1	1996555439	VXHLAANQVRNKQQ-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1(C)CC=CC1	1997543799	LNBPYWLBYKSQLL-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)NC[C@@H]1CCC=CCCC1	1999996176	MFTDAGBYSJODHF-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC1(C(=O)[C@@H]2CCCC(C)(C)C2)CCCC1	2000105432	KENMSJHIMWGKMC-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1CCC12CCC2	2001842902	BVEZKSBTZJEIDA-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@](C)(N)C1CCC(C)(C)CC1	2002969319	XUNGYVVMINKOAQ-WWGRRREGSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@@H](C)NC1CCCCCCCC1	2003092645	JLFYKXBJBLSVNL-OAHLLOKOSA-N	239.447	4.904	0	10	BJAE	
NC1(C[C@@H]2C=CCCC2)CCCCCCCC1	2003096295	WDWIVARCKVQOAP-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@H]1CCCC(C)C	2003116258	HTGMTKDXZTTWLJ-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC[C@@H]1CCCC2(CC2)C1)NCC	2003219116	WPOFNULKWLSTFW-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1CCC(C)(C)C1	2004228917	QNCXOZGYVVYTCS-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CNC[C@]1(C)CC=CCC1	2004705248	GWDIPHQOFNZRBH-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCC[C@@H]1C(C)C	2007623537	VBWJSKXZAZRPNJ-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C2(C)CCC(C)(C)CC2)C1	2007681402	KMLKIERFNOQFGO-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@](C)(CCC1(C)CC1)CNCC(C)C	2009545105	WNJQPYVQFPMQON-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC=CCCCC(=O)C1(C)CCC(C)(C)CC1	2009570329	ZLBSMIZCALPBRX-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1(CCC)CCC1	2009616210	GTTGADXWQVVRHB-SZTZYQKNSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(NCC(C)(C)C(C)C)C1	2009717689	MNQKIAVPRWODIW-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cc(C)cc(C)c1	2013264670	OYHCTQCSONFUCL-HNNXBMFYSA-N	233.399	4.930	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)C)C(C)(CC)CC	2015274700	ZHNGTNADIKTQQG-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)[C@@H](C)CC(C)C	2015290540	KZTLXWUYJIAZEZ-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC[C@]1(C)CCCCCN1)C(C)C	2015358324	PEKCJSYNZCDJJB-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H](O)C2(CC)CCCC2)CCC1	2015633333	GSZMHHACUGMZHH-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCC1(CC2(O)C[C@@H](C)C[C@H](C)C2)CCC1	2015641066	ZRMPNEZGISEBNW-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C1=CCCCCCC1	2016116919	IRDZPLDDWWIJNA-INIZCTEOSA-N	235.415	4.731	0	10	BJAE	
CCC[C@@H](C)[C@@H](CC1(C(C)(C)C)CCC1)NC	2017141943	STNSSRTYCMGHKC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCC(F)=C(C)C)CC1	2017462480	AULDFEAJXNSDOC-KBPBESRZSA-N	241.394	4.588	0	10	BJAE	
CCCCN(CC(F)=C(C)C)c1ccccc1	2017463993	OCGQYLNVRKKBAP-UHFFFAOYSA-N	235.346	4.557	0	10	BJAE	
CC(C)=C(C)[C@]1(N)CCCCC12CCCCC2	2017488089	UVKMCANHGLYIOO-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(O)CCC[C@@H](C)C2)CC1	2017653557	UVRXUAWLXDPZJP-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@H]2CC[C@H](C)CC2)C1	2017770357	UZSPJBHYQQUEFY-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCCC[C@H]1CC	2018083375	NWUMJUHMQLRPOB-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@@H]2CCC[C@H]21	2018128635	CKXWZILPHTXBNH-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CC(C)=C[C@@H](C)C2)CC1	2018956543	LTNRZZVMXVCNQN-TZMCWYRMSA-N	234.383	4.518	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCCCC2(C)C)CC1	2018984110	DDXRGLGAKYQZNC-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@@H](CC2(C)CCCC2)NC)CC1	2019005145	BDICCVUGJQSMCU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@@H](C)CC(C)(C)C)CC1	2019007673	DUTIGPHEFWZMQR-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CCCC[C@@H]1CC	2019199805	MKIAAAFCFZTETL-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CC[C@H](CCC(C)C)NCCCCC(C)(F)F	2023290550	RQAGMRWDVXIEKG-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
Cc1cnc(-c2cccc(C3CC3)c2)cc1Cl	2023464534	XSHHUGUMTLWREY-UHFFFAOYSA-N	243.737	4.588	0	10	BJAE	
CCC1CC(C[C@H](N)CCCCCC2CC2)C1	2025431767	HNPMCMGRMINMGU-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NCC)C1CC(C)C1	2026164373	SECRKYIQLHVWRM-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1[C@@H](N)CC1(CC)CCC1	2027902160	VJVDZJPPJYOVIP-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)c2cccc(C3CC3)c2)C1	2028558437	WNLUWUVTMDCXOF-IUODEOHRSA-N	242.362	4.573	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](O)c1ccc(C2CC2)cc1	2028593186	KUUIKFDNQFZRAY-KRWDZBQOSA-N	246.394	4.526	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1ccccc1C1(C)CC1	2028603593	YIVOZKPGAOTEHF-BBRMVZONSA-N	245.410	4.564	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)C1(C)CC(C)C1	2029105238	OGADKAKPFFPSRI-BLDCVEFLSA-N	245.410	4.507	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C	2029599659	FMZKRDXGDNPTKT-JONQDZQNSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H](Nc1ccccc1C1(C)CC1)C1CC1	2032244029	BFDRTPSDGGZYPD-MRXNPFEDSA-N	243.394	4.585	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(N)CC(C3CCCC3)C2)C1	2033781490	GNLHAYKHPGZIBP-AKBUMOGYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CCC(N)(C[C@@H]2C=CCCC2)CC1	2035594566	WACOATHZODRBJA-HPUBIQBYSA-N	249.442	4.667	0	10	BJAE	
CC1(CCCC2(N)CCC3(CCCC3)CC2)CC1	2037179276	KENXBJPXTPTZQI-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2037681121	CXAFJTPVVBDLID-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(CC(=O)CC2C[C@@H]3C[C@H]3C2)CC1	2038327422	MILWWLFPVDOUBS-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](CN[C@@H]2CCCC3(CCCC3)C2)C1	2040135638	USGKFNSFTOCNFB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)C(C2CCC2)C2CCC2)C1	2040142030	MCCKEUHXILIXHC-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(N)CCCC2(CCC2)C1	2041289757	LAVKVPHMPNXOBT-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)[C@@H]1CC=CCC1	2042018951	KLMYCKYEKXQGFT-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1N[C@H](C)c1ccccc1	2043064724	KNQGTSUGQFAAMI-VYDXJSESSA-N	245.410	4.696	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1CCC[C@H]2C[C@H]21	2045306455	ZANDEOCMPXESJB-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
CCC[C@H]1C[C@@H]1NC1CCC2(CCCCC2)CC1	2045666390	QOOAZQPNCPCGTH-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)[C@H](c1ccccc1)C(C)C	2045681087	UANYWWPFZORUHS-LZWOXQAQSA-N	246.394	4.678	0	10	BJAE	
CN[C@@H](CCCC1CC1)C[C@@H]1CCC=CCCC1	2045732384	HYSWULXNRAWMKG-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@H]2C[C@H]2C1)C1CCCCC1	2045852594	DQAKGWZUDMICHK-ZSOGYDGISA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCN(C[C@@H]2CCC=CCCC2)CC1	2046570189	DZEMDKQHSAMRLF-IAGOWNOFSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1C[C@H]2CCCCCC[C@H]21	2047437748	NZQPLFJBTDBMJN-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(C)c1NC[C@]1(C)CC=CCC1	2047726372	MTEKABVFTCGGTI-QGZVFWFLSA-N	243.394	4.716	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@H]1CC[C@H](C)CC1	2049638470	PEKCOIJGXWFLFT-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)C[C@@H]1CCCC2(CC2)C1	2049846113	PXIXMYYOQUQFCO-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(C[C@@H]2CCCC3(CC3)C2)C1	2049852456	DWNVPAKOBUXSJL-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CC(=O)c1cccc(F)c1	2050494733	LVJAIHXDLSIMAR-STQMWFEESA-N	248.341	4.615	0	10	BJAE	
CC[C@@H](C)[C@]1(CNC2CC2)CCCCC12CCC2	2053352994	YKECIKYTGZJDDB-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H]1CCC[C@@H]1C(C)C	2056451837	WSUNIBKUAOGBNN-ZACQAIPSSA-N	249.442	4.559	0	10	BJAE	
CC[C@@H]1CCCCC1=C1CC2(CCC(N)CC2)C1	2056618507	HHXOHLZPBCRCEZ-BZOOQXSSSA-N	247.426	4.565	0	10	BJAE	
CC=C(C)[C@@H](NCCC)C1CC2(CCCCC2)C1	2056783788	YYTTWIBIDJUONI-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1CCC2(CC1)CC2	2059221083	IRINQGKYKPZHPT-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCC)C1[C@@H]2CCCCC[C@@H]12	2059250080	NGAYHSQVLLMXPW-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCCC1(CNC2CC2)CCC(C)CC1	2059258141	DRYRCRDQANGVPJ-ONEGZZNKSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC=C([C@]2(N)CCCCC23CCCC3)CC1	2060912748	GXFGDSQPGUMZNF-WMLDXEAASA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)C1(C)CC(C)(C)C1	2060922417	RLONRLJFLRQIHJ-UKRRQHHQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1=CCC(C)(C)CC1)[C@H](C)C1CC1	2061091802	LJZKVXJKRNPYDS-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCCC1CC1)C1=CC[C@H](CC)CC1	2061139871	IXXKYUZNPMQJIS-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1C1=CC[C@H](C(C)C)CC1	2061151508	SPYRNYGSXJTXLE-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CC2CC(=C3CCC3)C2)[C@H](C)C1	2061696574	RKTMDRNEBPXQBA-OZVIIMIRSA-N	246.394	4.518	0	10	BJAE	
CCC(C)(CC)[C@H](CC1CC(=C2CCC2)C1)NC	2061727672	AEGHZIBRXFIQEE-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)CC12CCC(CC1)C2	2065340846	ZUPOUUMBKIVHMP-ODZFXCKXSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(NC(C2CCCC2)C2CCCC2)C1	2065934830	CWNKNQMGQNKOBY-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NCC12CCC(CC1)CC2)C1(C)CCCC1	2067528820	ASGZZVUCEGQMGZ-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(C[C@@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068766016	CECGSPMSAYJNTG-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CCC(C(=O)C[C@@H]2CC23CCC3)CC1	2069168015	MTCMOCMKPWOBFY-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CC23CCC3)CCCC1	2069168584	RGHCUJJXIKREJY-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CCCC1([C@H](O)c2c(C)cc(C)cc2C)CCC1	2069328356	OHTUUQCHCJLDLD-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CCC2CC1C2	2069346303	CEZLMVFHQRGDFG-SSDMNJCBSA-N	243.394	4.585	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1(CC2CC2)CCC1	2069522941	CWJQNUAZAJKCAL-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H](C)C2CC=CC2)cc1	2070795062	LFPGYZFBFDBVRJ-KBPBESRZSA-N	243.394	4.967	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CC1	2071196146	VAFCIFODYBAFIQ-MTERUZRBSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@H]1C)c1cccc(C(C)C)c1	2071505608	PKWMZQVRDMZEDO-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2C[C@H]3CCC[C@@H]32)CCC1	2071913388	QQJCVKDXEOLEGZ-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C[C@@H]2CC23CCC3)CC1	2072704203	JUZXFDQGMIQPBN-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCC[C@H]3CC[C@H]32)CC1	2072794040	PTIHNAJTWOESTM-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)C=C(C)CCC2)CC1	2072875029	JKIUPCORJTYKGC-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](C[C@@]12CCCC[C@H]1C2)C1(C)CCCCC1	2074021894	SVCCUCXPMHOKCE-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(NC[C@]23CCCC[C@@H]2C3)c1	2074046638	LSDXPVWVRGTBAX-NVXWUHKLSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@@H]2C=CCCCC2)CC1	2075371222	VSVKVJYYPDFCMC-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCCN(CC1=CCCC1)C1CCCCCC1	2076555845	HYDYGWCEOFOCEE-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
CC1(C)C[C@@](C)(C[C@@H]2CCC3(CCCC3)C2)CN1	2078854781	BUPCMRFBLJXIIN-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)CC1CC2(C1)CC(C)(C)C2	2079487501	RALLFMDVWPSBIX-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC1(N)CCC2(CCCC2)CC1	2079870183	JYPSYIYPAJHLSN-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C(C)(C)C1CCCC1	2080243203	QXLMOFXRNICGTG-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC=C(C)C)C1=CC[C@H](C(C)(C)C)CC1	2081783779	YVDBGVKASDZHDR-JKSUJKDBSA-N	249.442	4.703	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(C)[C@@H]2CC[C@@H](N)C2)CC1	2082163295	YAPNOHKURYEVOU-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)c1cc(C)cc(C)c1C	2082920552	ZXZSPVYCVPLSCG-SJKOYZFVSA-N	247.426	4.699	0	10	BJAE	
CC1(C)CCC[C@H](CC2(N)CC3(CCCC3)C2)C1	2082986532	MWCBMYQXFZAZDP-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CCC1CC(CCN[C@H](CC)c2ccccc2)C1	2084916892	RSFMUOHLCZDJEJ-VMBOVVBDSA-N	245.410	4.554	0	10	BJAE	
CCCC(CCC)[C@@H](O)CCCCC1CC1	2211113732	UPIFLMYJIMLSKS-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CN[C@@H](C)CC)CC(CC)CC	2212595182	BMWZOVPYIYJFEJ-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCCC1(CC[C@H](N)C2CCCCC2)CCC1	2214765763	OUOFZKVFXVZPQJ-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](O)CCC1CCCCC1	2215251859	OMRYXLLKKHVPLN-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@@H](C)C1CCCCC1	2215344632	DKCDDTIQOIKJLT-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC(C)C)CC1(C)CC(C)(C)C1	2215399012	RHWXFTMXYZOQMS-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CNCCCCCCCC1CC1	2216904898	UIUJGCJYFUCBDL-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@](C)(CN[C@@H](C)CC)C1CC(C)(C)C1	2217125274	NXXIGTAQMYAHSP-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CCC(C)C)CC=CCC1	2217143015	TZJFSRIPDLYMCX-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218329205	BEBWGIZAMBPAIM-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](NC1CCC(C2CC2)CC1)C1CCCC1	2218892599	AWOKAPNXEQQTCZ-PREGVCBESA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC=Cc1ccccc1)CCC(C)(C)C	2219069653	GEBJPAGLWSJZBG-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
CC(C)[C@H]1CC[C@](N)(CC2(C)CC3(CCC3)C2)C1	2221026282	UJQCVUAVSJMHOA-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2CC(C)(C)C[C@H]2C)CC1	2221643863	PLNBAEJESBAWAI-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CC1CCCCCC1	2222011510	MTHVEXVEVFQVMT-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@H]1C=CCCC1	2223107346	YHOWLWCVXLWZFB-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC2CCC2)CC=C(C)CC1	2223552055	UIVQKRLMNKPQES-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)NC[C@@]1([C@H]2CC2(C)C)CC=C(C)CC1	2223588791	JIFPMDDRCUFMRT-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC(=O)CCCCC[C@H]1C[C@@H]1C	2243897166	MVDOQPUHXVZZBP-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
Cc1cscc1NCCCCC[C@H]1C[C@@H]1C	2243922306	PCQGKKHVUWIWBQ-AAEUAGOBSA-N	237.412	4.685	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCC=C(C)C)NCC	2244775833	RQHOADNGFMNJQW-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCCCCC1CC1	2244780240	GEKQIKWPVLCVHB-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C[C@@H]1CCC12CCC2	2247414973	HQXSIEBPFYBMPO-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
FC(F)c1ccc(NCC2=CCCCC2)cc1	2247504840	ZPPREURDFLCORR-UHFFFAOYSA-N	237.293	4.537	0	10	BJAE	
CCC[C@H](CCC[C@H]1CCCC12CC2)NCC	2247598832	ALBZNNVSFHKXBE-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccccc1C(C)C	2250355784	MRTQMZDYGJFLTM-CYBMUJFWSA-N	232.367	4.819	0	10	BJAE	
CCC[C@@H](CC)CNCC(C)(C)C1=CCCC1	2250378461	NUOKOMUNWFFLOJ-CQSZACIVSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)[C@H](C)C1CC1	2250476138	NLGDDSKMOGQPCJ-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](CN)CC(C)C	2250530126	STIKQLMWFOCABF-CVEARBPZSA-N	241.463	4.850	0	10	BJAE	
CC[C@H](C)CCN[C@@H]1CC(C)(C)CCC1(C)C	2251675645	UFOWRAZCWZZBKI-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCN(C)[C@H]1CC(C)(C)CCC1(C)C	2251706247	BVHMGXWTOWLMLP-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1ccc2ccsc2c1	2253058716	DLCVMKRYSGQEAJ-UKRRQHHQSA-N	247.407	4.583	0	10	BJAE	
Cc1cc(F)ccc1NCC1CC2(CCCC2)C1	2254080264	YGXWCCJALHNLFQ-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CC1CC2(C1)CC(N)(CC[C@H]1CCC[C@@H](C)C1)C2	2254146442	NHWSZUVYHNTNHH-VAMBABPQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC2CCC2)CCC12CCC2	2254850614	AZAIJMQFGOVQIZ-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CCC2(C)C)CCC2(CC2)CC1	2254955817	YEJKWOAWVNBPLC-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C(=O)C[C@@H]1CCC1(C)C)c1ccccc1	2254959997	LQXGNZIKQQOVOD-GJZGRUSLSA-N	244.378	4.576	0	10	BJAE	
NC1(CC[C@H]2CCCC23CC3)CCCCCCC1	2255329773	LPZCLWRXAOYCDN-OAHLLOKOSA-N	249.442	4.789	0	10	BJAE	
CCCc1ccc(CC(=O)CCC(C)(C)C)cc1	2256319504	SHKXYGLRCCIYNL-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CC1CC2(C1)CC(N)(CCCCC[C@@H]1C[C@@H]1C)C2	2257318183	CBPXDORHTWGWPA-CHTYNLMKSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@]23CCC[C@@H]2CC3)CC1	2260601486	DMGXAKRFJRSOPS-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@]23CCC[C@H]2CC3)CCCCC1	2260659779	ZCRBMOUDOVFJFB-BHYGNILZSA-N	249.442	4.645	0	10	BJAE	
FCC1CC(Nc2cccc(C3CCCC3)c2)C1	2260733154	ITSRSEVFGZIXMC-UHFFFAOYSA-N	247.357	4.504	0	10	BJAE	
CC[C@@](O)(C1CCCCC1)[C@@H](C)CC1CCC1	2298846617	CGQUGFZIPCXRTC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H](C)CC2CCC2)c1	2298873046	GEHIACMZIGAXNO-ZDUSSCGKSA-N	227.351	4.701	0	10	BJAE	
C[C@H](CC1CCC1)[C@H]1CCCCCCC[C@@H]1O	2298916724	OSBULHYWXJAUFU-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@H](NC)C1CCC(C)CC1	2300676962	UWPWNNHFDSGOTI-BCLQGDPASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCC(C)(C)CC1	2300682233	WYCZPCIGHXAIAX-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H]1CCCC[C@H](CCC(CC)CC)C1	2300689091	UNTLHKNMGWDLKB-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@H](C)[C@H](C)CNCC(C)C	2300700385	LIBSRWZRYSZSRM-LSDHHAIUSA-N	241.463	4.721	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC(C)(C)C[C@@H]1CN	2300701453	RLDNZZDFGQMFME-HUUCEWRRSA-N	239.447	4.604	0	10	BJAE	
CC(=CCNCCC(C)(C)C)CCCC(C)C	2300865666	QDBFYUAWDYFLRC-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CC(=CC[C@H]1CCC[C@]1(C)O)CCCC(C)C	2300892222	ARFRGJFJEDUMFU-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCC(C)=CC[C@@H](C[C@@H](CC)C(C)(C)C)NC	2300904898	TVPBIQNGMOJCDF-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CC(C)[C@H]1CC[C@](O)(CC2CCCCCC2)C1	2301208433	SOOWGXUDHKGWFI-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc2c(ccn2[C@H](C)[C@H](C)C(C)C)c1	2301831124	BPUGNRUWAGOQNU-ZIAGYGMSSA-N	229.367	4.803	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)C1CCCCCCC1	2301840510	OSXWEYIMIMJUBB-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
FC(F)CCc1ccccc1-c1ccccc1	2302281012	YHEVQSOOSXHEAH-UHFFFAOYSA-N	232.273	4.551	0	10	BJAE	
CC1=C[C@](O)(CCCC2=CCCCC2)CCC1	2302330906	HDKMEUAOPQESTP-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CC[C@H]1C(C)(C)C	2303376132	QFNITCQDPOTICZ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1CC[C@@H]1C(C)(C)C	2303450146	PVLYTLLOOUXQBE-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303474994	IZCLGEIPVWUMCF-STQMWFEESA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CC(=O)C[C@H](C)C2)CC1	2303600679	LELIBAIOSUIFKD-DFBGVHRSSA-N	234.383	4.518	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC[C@@H]1C[C@H]1CC	2303624921	WRYGFSMEHGLNNB-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@@H]2CCCC[C@@H]2N)C1	2304415854	NJHDBLIZXBZDDA-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)[C@]12CCCC[C@@H]1C2	2307834594	KGXXFKQQEIMBMZ-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](CC)CC[C@H]1NC	2307900141	FIAYUJYZBHPNES-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2CC[C@@H]3C[C@H]23)CC1	2310924329	COUWTTPSKXFBAG-TUVASFSCSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312957667	FBTBXJGEFJVSSS-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313187155	RYLVUFWWOUXZFY-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
CC1([C@](C)(N)C[C@@]23CCCC[C@@H]2CC3)CCCC1	2313353461	OFDDMEBDWKQCNR-OIISXLGYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H](C)CC1CC1	2313698487	LSTFULFVEZNOMH-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC[C@H](N)c1c(C)cc(C)cc1C	2316247248	BSIHEJMRAYBOER-INIZCTEOSA-N	247.426	4.828	0	10	BJAE	
CCC(CC)CC[C@H]1Nc2ccccc2C[C@H]1C	2316270407	FADOTQUCYRGEDI-CZUORRHYSA-N	245.410	4.876	0	10	BJAE	
O=C(CCCC1CC1)C[C@H]1C[C@H]2CCC[C@H]1CC2	2317011452	YDWIVOWNWFHJKI-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C[C@H]1CCC2(CC2)C1	2317906965	MJTWCXZBRITWFP-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc([C@H](C)NCCCC2=CCCCC2)o1	2318529913	WNBFVDLAEWISME-AWEZNQCLSA-N	247.382	4.519	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CC[C@@H]1C1CCC1	2318557736	OCDZWQGUBDIABT-IAGOWNOFSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(NC[C@H]2CCC(C)(C)C2)cc(C)c1C	2319097137	KPIVJAFWIXISOY-HNNXBMFYSA-N	245.410	4.850	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@]1(N)C=CCCC1(C)C	2320240019	JHSJEOSYKSKOOS-CKEIUWERSA-N	249.442	4.523	0	10	BJAE	
CC(C)CCC(=O)Cc1cccc(C2CCC2)c1	2320667532	PNRZWJUXBBYSJM-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cc(C)ccc1C(C)C	2327676836	BNHWKLQEBHNRGL-INIZCTEOSA-N	248.410	4.978	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CCc2cccc(C)c2N1	2328184069	SRCWUXMYOVBRDT-ZBFHGGJFSA-N	245.410	4.938	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CC)c1cccc(C)c1	2328296200	YHCLOFNDCNYLKM-DOTOQJQBSA-N	247.426	4.775	0	10	BJAE	
CCC(CC)[C@@H](NC)c1ccc([C@@H](C)CC)cc1	35469293	VWLAXSCFCHQSGS-SUMWQHHRSA-N	247.426	4.897	0	10	BJAE	
Cc1ccccc1N[C@@H](C)c1sccc1C	69635951	PCTQEAWYJQFELE-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
CCCCC[C@@H](C)NC1CCC(C)(C)CC1	70654023	LYXUCRRUJYFLSN-CYBMUJFWSA-N	225.420	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(C)cc2F)C1	71107609	IFAXTSVDSTYQSQ-QWHCGFSZSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@H]1CCCC[C@@H]1CC	83825573	FEBWWHBEKRJTHL-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC([C@]2(O)CCCC[C@H]2CC)CC1	85078107	AJKJFDSIRBULQQ-KNIAUWFNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](O)C(CC)(CC)c1ccccc1	103943255	WVGNZRJMQROXNH-GOEBONIOSA-N	248.410	4.542	0	10	BJAE	
CC(C)(C)CC[C@@]1(N)CCCC[C@H]1C(C)(C)C	103949591	VVEXWHVHFIXJRN-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)c1ccc(C)cc1	104018382	JUXOPIZWRXXEHR-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CCC)c1ccccc1	109656226	AMRKTCXQSOHURT-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)C(C)(C)CC	110218483	TVTAWWOOTJTWOK-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1ccc(CC)c(CC)c1	128000553	OMRPVYPMBRXHMA-SUMWQHHRSA-N	247.426	4.508	0	10	BJAE	
CCN[C@H](CCCC(C)C)c1ccc(C)s1	133541136	RAJDFXHALMJHAN-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
C[C@H]1CC[C@](N)(CCC(C)(C)C)c2ccccc21	137048891	IFBGYTGVZZAFKF-GUYCJALGSA-N	245.410	4.564	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@H]1NCCC1=CCCCC1	155835127	KIMLSSOMCBSBTJ-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@H]2CCC[C@@H](C)CC2)c1	160143953	SAOPVHSNMUCCQI-UNEWFSDZSA-N	245.410	4.614	0	10	BJAE	
Clc1ccnc2scc(-c3ccccc3)c12	168990960	FGFLVBYBDQRKOA-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CCCNC/C(=C/c1ccc(C(C)C)cc1)CC	211795033	SOTDIYLTQNYKEB-NTCAYCPXSA-N	245.410	4.603	0	10	BJAE	
Cc1ccc(F)cc1C(=O)[C@@H]1CCCCC1(C)C	226784725	DUFYNNNTGGPEPV-AWEZNQCLSA-N	248.341	4.533	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	229189104	IIPFFXFKYLFGJR-VNHYZAJKSA-N	244.378	4.504	0	10	BJAE	
CCCCC1CCC([C@@H](N)CCC2CC2)CC1	229553099	BRMAQYVMVCMXKV-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)c1c[nH]c2ccc(Cl)cc12	232845640	KKRPYUSXWUQHKI-VIFPVBQESA-N	221.731	4.581	0	10	BJAE	
CCC1(CN[C@@H](CC(C)C)c2ccccc2)CC1	233086266	UXOGVYJRXVAUGM-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H](C)CC[C@H]1C)c1ccccc1	251249882	MPJVGXCPNPSNIQ-TXCZRRACSA-N	245.410	4.552	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@@H]1CC[C@H](C)[C@@H](C)C1	253025023	CUWYCDDPXPDVDG-UGQVUOCMSA-N	239.447	4.602	0	10	BJAE	
CC(=O)Cc1ccc(C(C)(C)CC(C)(C)C)cc1	258322131	LFQAOIHMUHICCC-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
c1cc([C@@H]2CCCN2)ccc1C1CCCCCC1	258369289	SYOQSIGGZMSEOV-KRWDZBQOSA-N	243.394	4.549	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H]1CCC12CCCCC2	299952351	IFCYQDKWFZMQOJ-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc([C@H](C)NCCCC(C)(C)C)s1	300773784	AFHZFIZLSGUENR-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCN[C@H](CCCCC(C)(C)C)C1CCCC1	302316865	PWMFWRPFKAASEZ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CSc1c(S)ccc2sc(Cl)cc12	307493734	LGMYZGVOKQKJKI-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)[C@H](CC)CC(C)C	308055757	BZMWGEVJMXWLMQ-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)C[C@@H](C)c1ccccc1	308091537	HVWLHMICTYCYDJ-INMHGKMJSA-N	247.426	4.580	0	10	BJAE	
CCCCC[C@H](C)NCC(C)(C)C(C)(C)C	309480563	DLGAMWKSDQIYAN-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCCC1(C)CCCC1	310158723	PHHKYDRPBQVPTL-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccccc1NC(C(C)C)C(C)C	310287764	YECUHRXEXNISLH-UHFFFAOYSA-N	233.399	4.903	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C[C@H]2CCC[C@@H](C)C2)C1	310308345	DEKYDMNQPLXQLC-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@](O)(C[C@@H](C)C2CCCCC2)C1	310462357	FRDADRMVQIQSBH-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccccc1C(C)C	310463461	WJJPMNYWTRBOJF-BBRMVZONSA-N	234.383	4.670	0	10	BJAE	
CCc1ccc([C@](C)(O)C[C@H](C)CC(C)C)cc1	310581267	UOOHNTSPDMRPKK-RHSMWYFYSA-N	248.410	4.529	0	10	BJAE	
Cc1ccccc1[C@H](C)NCC(C)(C)C(C)(C)C	310768786	CJDSBZISXZVUJA-AWEZNQCLSA-N	247.426	4.718	0	10	BJAE	
c1ccc(N[C@H]2CCCC23CCCCC3)cc1	312998935	HDLOSKOJMAXUOW-HNNXBMFYSA-N	229.367	4.602	0	10	BJAE	
C1CCC2(CC1)CCC[C@@H]2NCCC1CCCC1	313008405	IFVZXQLRUNHSTJ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H]2CCCC23CCCCC3)C1	313088718	XNSYPKPYKPDEIH-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@]1(CNCCC)CC=CCC1	316898472	TWPVJBILLPFIKN-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CC(C)[C@H](C)C[C@@H]1C[C@@H](C)Nc2ccccc21	320056377	VPAHZUGBEXPBSP-MGPQQGTHSA-N	231.383	4.657	0	10	BJAE	
Cc1ccc([C@H](CN)CCCCCC(C)C)cc1	383233390	HRBICSGCBYVQCH-KRWDZBQOSA-N	247.426	4.644	0	10	BJAE	
CCCc1ccccc1[C@@H](CC(C)(C)C)NCC	384456037	BHTIZSLDLXXCFF-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C1CCC(C)CC1	385126466	GKRJWDJQVGXKAS-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)CC1=CCCCC1	385131799	HDENJOOXHGQEDI-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cccc2ccsc12	386247023	QJSBKGDPVSBZDP-WDEREUQCSA-N	233.380	4.748	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)c1ccc(C)c(C)c1	386465761	FVETWELHZZIZGJ-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC[C@H](N[C@@H](CC)C1CCCC1)c1ccccc1	387505279	DKHFSRCDGOWHQF-IRXDYDNUSA-N	245.410	4.696	0	10	BJAE	
CC1(C)CCC[C@H]1CN[C@H]1CCC12CCCCC2	388821110	BGDIGNOZEXLNQO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C(=O)CCCCCC(C)C	394804265	GSTCIQRGASIGGF-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCC[C@](O)(C1CCCCCC1)[C@@H]1CC1(C)C	397586339	AOQKWHMPHQIOOE-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C[C@H](Cn1ccc2cccc(Cl)c21)C1CCC1	398602535	BMXIBCOQZZHUBY-LLVKDONJSA-N	247.769	4.731	0	10	BJAE	
Fc1c(Cl)cccc1CCC1=CCCC1	401164476	QQZVXLVZVDJSRK-UHFFFAOYSA-N	224.706	4.522	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)C[C@@H]2CC=CCC2)C(=O)C1	402209770	IWJQLOFIVMULHX-RBSFLKMASA-N	248.410	4.764	0	10	BJAE	
FC(F)(F)CCCCSCc1ccccc1	507597859	NRDYIYPDQUFPGU-UHFFFAOYSA-N	248.313	4.652	0	10	BJAE	
CCSc1cccc(N[C@@H]2CCC[C@H](C)C2)c1	689702315	OYWMUAQRAIMDIG-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@@H]1CCCC[C@@H]1C	691996928	AMYAGSDJTGYSGP-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1CCC12CCCC2	694405660	WRVCTVZVATYYHG-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H]1CCCC(C)(C)C1	695056211	VUAJYMZFKQNPGV-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)c1ccccc1C(C)C	696156133	DSSOERGMYSERFK-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C[C@H](C)c1ccccc1	696682590	JPHYKTHKNRTCKS-HOCLYGCPSA-N	248.410	4.758	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C	699079333	APMCBWJPIQNQPK-XEZPLFJOSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CC[C@](C)(C(=O)CCC(C)(C)C)C1(C)C	699088104	SWIGKMUZDFZRDR-BLLLJJGKSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](c1c(C)cccc1C)C(C)(C)CC	701144957	VAYIHHBNEQVJKT-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCc1cc(NCCCCC(C)C)ccc1C	703943888	DVKOUIJNQSIZQS-UHFFFAOYSA-N	233.399	4.796	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)c1cc(C)oc1C	704926081	KHCXHIXPVNZAPU-INIZCTEOSA-N	249.398	4.684	0	10	BJAE	
Cc1ccccc1[C@](C)(O)C[C@H](C)CC(C)(C)C	709072212	YUHGXOUMGYOBAC-CXAGYDPISA-N	248.410	4.665	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCC1(C)C)CC(C)(C)C	709106904	WIXGYJOLHDBXND-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1cccc(C2CCC2)c1	709237146	QWPKDMYOMOCMPN-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(O)CCCC(C)(C)C1	709255848	CDSOHNQAONJQTC-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](Nc1csc(C)c1)[C@@H]1CC1(C)C	710754819	IWTAQTMQLVASNM-QWHCGFSZSA-N	237.412	4.683	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C[C@H]2CC[C@H](C2)C1	711200809	FWTPVTJTDXQQGS-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CC(C)(C)C)NCC	713173153	DKLQDUXCIXXENB-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C\CCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1	713499550	SRHUHPATIFNKFT-JTUDCUDASA-N	249.442	4.703	0	10	BJAE	
CC(C)=C(C)CCn1ccc2ccc(F)cc21	718556620	FCPCJVFXYTVTJR-UHFFFAOYSA-N	231.314	4.527	0	10	BJAE	
CCCC(CCC)C(=O)CCCC(C)(F)F	718653564	MHLJEOBGTWEQRR-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CC/C(=C\Br)CC1CCCCC1	720418466	YJCBQRJQVTUGJD-MDZDMXLPSA-N	231.177	4.646	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1CC1(C)C)NCCC	723178061	JLKGXOMAENESDD-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CN[C@H](C2CCCC2)C2CC2)CCC1	723985043	BBLNOPJEFGGSCJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H](C)C1CCCCC1	829283469	FXXZLAQBOCSVMR-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@H]2CCCC3(CC3)C2)C1	1179670181	FWZNJHQAALYYKR-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)c1ccccc1F	1258079638	SDIHSUNYYLOZQU-UONOGXRCSA-N	249.373	4.611	0	10	BJAE	
C1CCCC(CCN2CCC[C@H]3CCC[C@@H]32)CC1	1307477573	CQQQSTUCTOHSFQ-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1cccc(C2CCC2)c1	1560855857	DXEQFOINTFQXEQ-WBMJQRKESA-N	229.367	4.555	0	10	BJAE	
CC(C)CCNC(C)(C)CC1CCCCCC1	1617258954	GEFZTCBLIMTEBS-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@](C)(O)CCCC(C)C	1900703659	OPGOALKLCLOGRQ-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CCCNCCCC=C(C)CCCC(C)C	1900873743	GUAIKKDEHOUDEZ-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CCCC[C@@H](C)c1nc(CCC2CC2)cs1	1901902993	BSWCJEKTMNCTSS-LLVKDONJSA-N	237.412	4.779	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)CCC(C)(C)C	1905389906	MNZLVDPVISVNHH-DZGCQCFKSA-N	228.420	4.780	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCC[C@@H]1C[C@@H]1C	1908569673	DZPLFQIJLNMMIW-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H]1CCCCCCCC1=O	1910809918	SXUVYUHYCOTXCM-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
Cc1cc2ccccc2n1CC=Cc1ccccc1	1912137038	FUFUJXSICYGNIW-UHFFFAOYSA-N	247.341	4.663	0	10	BJAE	
CCCC=CCN[C@H](c1ccccc1)C(C)(C)C	1914691021	NJUDCDXZAUDZCU-MRXNPFEDSA-N	245.410	4.720	0	10	BJAE	
C[C@H](CN[C@H]1CCC2(CCCCC2)C1)C1CCC1	1915856009	VYXDFBNSOJHKIH-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(N[C@H]2CC[C@@H]3C[C@@H]3C2)cc1	1917349977	IPLODRLIDODORY-INMHGKMJSA-N	243.394	4.630	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@@H]2C=CCCCC2)c1	1925765064	JOTHLWIWXLMSHY-OAHLLOKOSA-N	242.362	4.623	0	10	BJAE	
CC1(C)CCC(CN)(C[C@H]2C=CCCCC2)CC1	1925919236	BRMVRILODCBHFT-HNNXBMFYSA-N	249.442	4.668	0	10	BJAE	
CCN[C@@H](CCCC(C)(F)F)CC(CC)CC	1926172263	BZZMZVPRAVGWDC-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCCOc1ccccc1NCCC(CC)CC	1926183710	CVOHWRYRYCRJKS-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CC1(CCCC(=O)c2csc(Cl)c2)CC1	1927806814	CDYDNSFTBLSLQQ-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCCCCC[C@@H](CCCC1(C)CC1)NC	1935939992	MUHKHIBJLNBHRU-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CCC(C)(C)CC	1936197144	HDUNLUZHWQLRER-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
CC(C)CC[C@H](C)Oc1ccc(Cl)c(F)c1	1937174804	RYYYXLDGRIQPCF-JTQLQIEISA-N	244.737	4.683	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1cscc1CC	1938826606	NUUYFWDPLGXYLV-RISCZKNCSA-N	240.412	4.560	0	10	BJAE	
CCCCC[C@@H](NCC)c1cscc1CC	1938826838	PETQXMKGJKEJHJ-CQSZACIVSA-N	239.428	4.541	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)C(C(C)C)C(C)C	1940255204	FHBZXEGHYCVACA-KGLIPLIRSA-N	241.463	4.717	0	10	BJAE	
CCC1CCC(NCCCCCC2CC2)CC1	1941581456	KZVXPNWAUUJECC-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CC1CCC=CCC1	1941811350	DKEFPLXFEZZOMT-CVEARBPZSA-N	238.415	4.556	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@H](C)CCC(C)C	1942658029	OQDDETAMBUUECO-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@@H](C)CCC(C)C)C1	1942662488	NZQBXHDCAVSDRV-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CCCc1cccc(C(=O)C(C)(C)C(C)C)c1	1944640345	DTBYKHQVJWIURF-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc(CC)cc1	1947458541	GZUVIMRAVMIJEB-GDBMZVCRSA-N	231.383	4.630	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H]1CCC[C@@H]1CCC	1947467901	MLUDMKYXXVOQBT-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1csc(CC[C@@H]2C=CCCC2)n1	1947562719	RKKPBRCMQHXYQR-GFCCVEGCSA-N	249.423	4.730	0	10	BJAE	
CC(C)(C)CCC1(N)C[C@@H]2CCCCC[C@H]2C1	1947859316	PKDITUGTRBHWAQ-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCCCC12CCC2	1947878849	MGIUFONFSOYEKZ-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CNC1CCCCCCCCC1	1947881044	KDDTYGIEHNTZKA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCC(F)(F)CC)NCC	1947993839	RCBHFPSZAYCPDV-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H]1C[C@H](CCC(C)C)CCC1(C)C	1949651683	BPEPYCONNOEVSA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)(CCC(=O)CC1CCCC1)CC(F)F	1949856852	GQCDWMPJAVFSIJ-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC(C)(C)CCCC[C@@](C)(O)c1ccccc1	1949917766	PPDKUOAYRGRUME-MRXNPFEDSA-N	234.383	4.501	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)CC2=CCCCC2)c1	1950606953	HRTZREIEZQNWPF-UHFFFAOYSA-N	248.753	4.722	0	10	BJAE	
CCNC[C@@]1(CCC(C)C)CCC[C@@H](C)CC1	1950929157	FCGMFRVKIQTCSR-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](C)NC1CC(CC)(CC)C1	1963222373	GQPFKXHJHRSLOA-AWEZNQCLSA-N	239.447	4.904	0	10	BJAE	
CCCC1CCC(N[C@H]2C[C@H]2C2CCCC2)CC1	1966024052	YJYKEOLWDLWKCC-KMZOKZLKSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(CN(C)C2CCCCC2)cc1	1968238743	BEJXZQCMLKQPMS-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CC3(CCC3)C2)cc1F	1968320347	LLDUDCVIRIBGAH-GFCCVEGCSA-N	247.357	4.515	0	10	BJAE	
CC(C)C(N[C@H]1C[C@@H](C)c2ccccc21)C(C)C	1968603909	IOYRAZVSUVQRIU-CJNGLKHVSA-N	245.410	4.505	0	10	BJAE	
CC[C@H](N[C@H]1CCCC2(CCC2)C1)[C@H]1CC1(C)C	1972536476	VUMPINHQYRDWTO-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1(C)CCCCCC1	1978449861	GPFBNWOFIZFNCR-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCN[C@H](CC=C(C)C)C(CC)(CC)CC	1981006087	YITGSJGWBNMXRR-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCCC[C@H](NCCC)C(C)(C)C	1984632328	LKABOGQTCTYZEQ-OWNNVSBGSA-N	225.420	4.537	0	10	BJAE	
CC=CCCCC(=O)C1(C(C)(C)C)CCC1	1989453021	HQJKFOYVKORUTK-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@@H]1CC[C@H](C)C1	1996260529	PHQQELIVIPITLM-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@](C)(O)C2(C)CCCCC2)C1	1996269751	MBWPPHGSXFIZJV-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@@]1(C)CCCCC1(C)C	1997428239	DXWXHZVRDYCUKO-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CCC1(CO)CC(C(C)(C)C)C1	1998261013	RXXCWFXYXCWPKW-UHFFFAOYSA-N	238.415	4.558	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@@H]1[C@@H](C)[C@H]1C	1998552566	UYBIHCAEUYOYGF-ITGUQSILSA-N	249.423	4.501	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)CC1(C)CCCCC1	1998743803	RRVSFLJKRDXYQC-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1ccc(C(C)(C)C)cc1	1998753346	UZCQXWAJQRZGCI-IUODEOHRSA-N	231.383	4.585	0	10	BJAE	
CCCC[C@](C)(CNC)[C@@H]1CCC[C@@H](CC)C1	2000513439	UGOBGYHUJMMSGL-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC([C@@](C)(N)CCC=C(C)C)CC1	2002929143	JRAIGJXOBFLPKE-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@](CN)(CCCC2CCC2)C1	2002984159	OBQFBKQLGUZAJH-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)C2CCCCCC2)C1	2003012843	CNAKESSDODUCTL-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1C[C@H](CC)C[C@@H](CCC(C)(C)C)C1	2006632652	UIHVFQGFTHHJBO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](O)[C@H](CCCCCC2CC2)CC1	2009408671	VVFCKCKBGNNLEM-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1CC(CCC)C1	2009617783	WJGFGKCUEDJYQT-KNAJXHNTSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](CC)CC[C@@H]1NCC	2009628628	NYOOLCHGGNVIOB-UHKIINPBSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C1=CC[C@H](C)CC1	2010608735	KLCBEBUUVLAQFA-AWEZNQCLSA-N	237.431	4.523	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011982890	MPDGQRRPAWNICU-QKDCVEJESA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(C(C)(F)F)cc1	2012747769	DJCKDIAOCQTCIJ-GFCCVEGCSA-N	241.325	4.789	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@@H]1CCC[C@@H](C)C1	2013265155	UETXDOHUSFZXTM-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@H](O)C2(CC(C)C)CC2)CCC1	2015761148	TUXSCVIKLGFHRJ-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)c1ccc(NCC2[C@H](C)[C@H]2C)cc1	2016298118	ZMQQAFVYMNWETQ-YNEHKIRRSA-N	231.383	4.514	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)CC1(C(C)(C)C)CCC1	2017114988	SDXZDMAFJCNRFZ-ZDUSSCGKSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)CCN(C)CC1(C(C)(C)C)CCC1	2017124361	SRQMZRDQIAWJME-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC2(C(C)(C)C)CCC2)C1	2017125700	QTXLGIIAVPAMOS-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCCCC[C@@H]2C)CCC1	2017141170	AZFLKMDRAOYNSK-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCC(NCC(C)=C(C)C)CC1	2017466697	OLESGHWXCYUESP-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNCC(C)=C(C)C)CC1	2017469654	UGOXHTLQUIWXKQ-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@]1(C)CCC(C)(C)C1	2017915306	ZCUUPLYXNPKTFW-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@](O)(CC)CC1CCC(F)CC1	2018130608	OYILJHSYORFBNB-YMAMQOFZSA-N	244.394	4.626	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@@H](C)CC(C)C	2018999599	LCFWAVMDZBDYNV-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2ccccc2C2CCC2)C1	2021027374	XXJASFPZXGHDAR-GXTWGEPZSA-N	229.367	4.555	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1C[C@H]1CCC=CCCC1	2024605983	PWCOJQVOHQROJA-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCC(F)(F)CC	2026168398	ZULCKVVHKOQFDE-QWHCGFSZSA-N	249.389	4.746	0	10	BJAE	
CCCc1cccc([C@@H](O)[C@H](CCC)C(C)C)c1	2028242001	WYTCCMZPQCAJRT-IAGOWNOFSA-N	248.410	4.745	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)c1cccc(C2CC2)c1	2028558066	SVSZKUFKAZJDQO-LRDDRELGSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@@H](CCCCCC1CC1)c1ccco1	2028642456	ARIRSMNEWUASRE-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
CC1(C)C(C)(C)C1(C)[C@H](N)CC1CCC=CCC1	2028870090	NZCQRBSGDOXAPU-CQSZACIVSA-N	249.442	4.523	0	10	BJAE	
CC(C)=C(C)CCNCC1(C2CCCCC2)CC1	2029737920	KVAGRYWCQJQSMY-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@@]1(C)C=CCCC1	2030355297	WYEVXNGKXYKMTP-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)C(C)(C)C2CCCC2)c1	2032270694	CHJUDMYWFPVIHB-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC2[C@@H]3CCC[C@@H]23)CC1	2032822398	JUMYDCHGJDYGOF-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC23CCC(CC2)C3(C)C)C1	2033413003	PHKQXXNZMNKVEC-HCEZTOJASA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C)(C)CC(CN)(C[C@H]2C=CCC2)C1	2035604179	YTVICZOLKGCKLW-AWEZNQCLSA-N	249.442	4.524	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)C1CC2(CC2)C1	2036192839	QFBPQYVUHOHOCL-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC/C=C/CN[C@H](C)c1cc(C)c(C)cc1C	2036762838	HDKXJZCBEDXDIR-ROJDOSBLSA-N	245.410	4.619	0	10	BJAE	
CCC1(C[C@@H](CC2CC3(CCC3)C2)NC)CCC1	2037975427	XLFNESTYGZKRHJ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc([C@H]3CCC(C)(C)C3)[nH]c21	2037999723	ITTSRDOHXYHBOU-TUAOUCFPSA-N	246.398	4.704	0	10	BJAE	
C[C@H]1CCCc2nc(C3CCC(C)(C)CC3)[nH]c21	2039359846	NJJNJMLIFTYFCW-NSHDSACASA-N	246.398	4.533	0	10	BJAE	
C[C@H](NC1C[C@H]2CC[C@H](C1)C2)C1(C)CCCCC1	2039867321	GYSWXFNVKNUBOY-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)[C@H]1CC=CCC1	2042018994	KTGNZFCOYCICTP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2CCC[C@@H](C)C2)CC=CCC1	2042089777	SYSQLFFHPIBMES-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(=O)CC1(C)CCCC1)c1ccccc1	2045560351	MWBICIDEHRWCHN-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
C[C@H]1CC[C@@H](N(C)C2CC3(CCCCCC3)C2)C1	2046330339	VODJEZBSUCTYCB-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CC(C)NCC1(C[C@@H]2CC23CCCCC3)CCC1	2047010989	VVFKHNVNDFLLRW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047425766	YNLYNFKGBXJHNP-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CCCCCC[C@H]32)C1	2047437863	OXHIJYWSOCLHJH-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1CC(c2ccc3c(c2)CC[C@H](C)N3)C1	2048634813	SOXSJTSSQYOCIU-JQRITLKVSA-N	243.394	4.583	0	10	BJAE	
CCCC1CCC([C@@H](C)N[C@H]2C=CCCC2)CC1	2049423582	RPWNWQONKHRFDR-VXLLPVPCSA-N	249.442	4.680	0	10	BJAE	
CCCC1CCC([C@](C)(N)C[C@@H]2C=CCC2)CC1	2049486151	ANLZTZSROLFJFT-MNAZLIDISA-N	249.442	4.667	0	10	BJAE	
C[C@H](NCCC1CC=CC1)[C@@H]1CCCC(C)(C)C1	2049536010	IZVOXQUYCFBZCN-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@H]1CC12CCCC2)[C@@H]1CCCC(C)(C)C1	2049539222	FPIPJUHZOZJIGF-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H]1[C@H]2CCCCCCC[C@@H]2C12CCC2	2049671822	HKYDJDNRLKOHDY-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H]1[C@H]2CCCCCCC[C@@H]2C12CCCCC2	2049672268	KOIXFGRHADWWMM-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@@H]1CCC2(CC2)C1	2049935390	IHXNSHXFUVWFJW-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@@H](C)C1(C)CCC1)c1cccc(C)c1	2052332828	XCMNDNUTSWWYAQ-HOCLYGCPSA-N	245.410	4.614	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)[C@@H]1CCCCC12CC2	2053414571	ASWFQRJXXNABOZ-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](C)Nc2ccc(CF)cc2)c1	2055673085	ARNILWZJSABQDT-ZDUSSCGKSA-N	243.325	4.638	0	10	BJAE	
CN[C@H](CCC1CCC1)C1(C)CCC2(CC2)CC1	2056556876	NLKZMQZYIFRAEK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC2(C3CC3)CCCC2)C1	2057604049	NHVWPUDPDMZXGB-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H]1CC12CCCC2	2059265897	AZXRUYYIRWLSHS-BYQDXSGLSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(N)(C[C@H]2CC3CCC2CC3)C1	2059495614	OSSQPRYUWHZHFI-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](N)C2=CC[C@@H](C(C)(C)C)CC2)CCC1	2061083327	BMCSNOITMGUCCT-HUUCEWRRSA-N	249.442	4.667	0	10	BJAE	
CCC1=CCC[C@]1(N)C1=CC[C@@H](C(C)(C)C)CC1	2061121468	GLKVVVKILOBQSQ-RHSMWYFYSA-N	247.426	4.587	0	10	BJAE	
CC1([C@@](C)(N)CC[C@]23CCC[C@@H]2C3)CCCCC1	2061616632	KUFYXQYAYZGRFV-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(CC[C@]12CCC[C@H]1C2)C1CCCCC1	2061618363	UQSOVTXEMRMYMB-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CC1CC(=C2CCC2)C1	2061656480	IPJOVJCGEORRRO-CXAGYDPISA-N	247.426	4.565	0	10	BJAE	
O[C@H](CC1CCCCCC1)CC1CC(=C2CC2)C1	2061685877	WRRNJYYRKMCHQW-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1c(C)cc(C)cc1C	2061868790	CETVDKFIQQNZKD-MRXNPFEDSA-N	248.410	4.862	0	10	BJAE	
C[C@H]1CC[C@@H](CN2CCCC23CCCCCC3)C1	2063438439	JWMWELUBWJCLBX-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CC12CCC(CC1)C2	2065328031	OXNKVVULUVDAMU-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(CC23CCC(CC2)C3)C1	2065340677	YHUYRHKWPGCGMR-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068712004	ZHIVYTKQJHSSNE-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CC3CCC2CC3)CCC1	2069284321	IMYKXTIEWKIWBQ-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
C(CCC1CC1)CCN1CCC12CCCCCC2	2070393944	ZLFQVGGCUOFXLH-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCCc1ccccc1[C@](C)(O)CCC=C(C)C	2070394839	ISFRWUVMVJLARM-QGZVFWFLSA-N	246.394	4.593	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1C)C1=CC[C@@H](CC)CC1	2071513421	ZZKAVSVEVWXFDE-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)[C@@H]2CCC23CCC3)CCC1	2071946229	NPLQVSWZXNPDNB-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)C1=CCCCCC1	2072076929	PYUFXGKMFXGKOA-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@]2(C)C=CCCC2)CC1	2072792538	BCNINGGAGFERHV-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(C)[C@@H]2CCCCN2)CC1	2072822447	UYRPZDZBULMRRG-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(C[C@]2(N)C=CCCCC2)CC1	2072870946	JAIUPEZVTDDXAQ-JCYILVPMSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(F)ccc1C(=O)C[C@H]1CC[C@H](C)CC1	2072876338	ZEEFRDQFTDSIOP-AULYBMBSSA-N	248.341	4.533	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)Cc1ccccc1	2073342126	OGWNPHWWHSHWFV-RDJZCZTQSA-N	247.426	4.566	0	10	BJAE	
CCC1CCC(C(=O)C[C@@]23CCCC[C@@H]2C3)CC1	2074091009	NDHGPFDODYZGOD-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
CC(C)(CC[C@@H]1CCNC2(CCCC2)C1)C1CC1	2074140461	AYTLBKTZCJGWIY-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1CC(=C2CCC2)C1	2077197219	YEUSLALPAFODJD-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CC=C(CC)[C@@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCCC	2077198113	YABPXBJNOUPUQD-QMCVQRASSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](c1cccc(C(C)C)c1)[C@H]1C[C@@H]1C	2079228344	ROEWTQSXIDNQPQ-JQFCIGGWSA-N	245.410	4.507	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@H]2C[C@@H]2C2CCCCCC2)C1	2079487816	SBJGFIWIOBOQNQ-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@H]2C[C@@H]2C2CCCCC2)C1	2079491989	NJEYTDUZCUBDCA-CLWVCHIJSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(N[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079527879	JIHZRGJBDUKPKL-OKEQZYBDSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)CC12CCC(CC1)C2	2079865745	PGUVVXXFKOOKNI-INCLHDFMSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)NC[C@]1(CC=C2CCC2)CCC1(C)C	2081676463	RCCQJWIURPTBRU-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](c1cc(C)cc(C)c1C)[C@H](C)CC	2082919005	MOZCKDHPWQKRNE-DYVFJYSZSA-N	247.426	4.699	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1ccccc1CC	2086053613	MHUNVHMDQAYZJC-YOEHRIQHSA-N	247.426	4.855	0	10	BJAE	
C1=C[C@@H](CC[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2210344731	QAPRZSZXJHHYJH-WCVJEAGWSA-N	218.384	4.949	0	10	BJAE	
Cc1ccn([C@H]2CCC[C@@H](C(C)C)CC2)c1	2211148684	KMAHTNUKBCNGBC-CABCVRRESA-N	219.372	4.574	0	10	BJAE	
CC1(C)CC(C)(CC(=O)CC2CCCCC2)C1	2215430238	IXFIBKMNNMLQSE-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)=C(C)CN[C@@H]1CCC[C@H](C(C)(C)C)C1	2216252180	IPJVHDXWTYJTBQ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc2c(c1)SCC2	2216720679	QNZLHSPLBAUGBC-LBPRGKRZSA-N	249.423	4.716	0	10	BJAE	
CC[C@H]1C[C@H]1C(=O)CCCCCCCC1CC1	2216901048	PBBBYMWOBPPWAB-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)[C@]1(CN[C@@H](C)CC)CCC[C@@H]1C	2217125959	RZIJNBSTIUFTBN-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](CN[C@H](C)CC)C(C)(C)C	2217159947	UBXOEJDCAGHMKF-HIFRSBDPSA-N	241.463	4.863	0	10	BJAE	
CC1CCC(N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218356339	LWQVKJCQSFEWHP-LJEMCRLJSA-N	249.442	4.501	0	10	BJAE	
CCCNCCC=CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218361902	RNUKNNJADWJUJZ-OSYLJGHBSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CCCCC1CC1)[C@@H]1CCCC2(CC2)C1	2220046499	TUXJUDXMANSXGM-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(n2ccc3cccc(F)c32)C[C@H](C)C1	2220310882	NDILZKVFLYTIDX-VXGBXAGGSA-N	245.341	4.778	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H]1C[C@@H](C)Nc2ccccc21	2220902604	RRWADEYCQGRDNX-KBXIAJHMSA-N	243.394	4.801	0	10	BJAE	
CC1(NCCC2CCCCCC2)CC2(CCC2)C1	2220979828	WVIWTHRJVKTQPL-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC2(C)CC3(CCC3)C2)C1	2220980484	ZWYKXDIXXCNUSG-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN(C)C[C@]2(C)CC=CCC2)CCC1	2221609457	JUEWKLQSWYIURU-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@]1(C)CC=C(C)CC1	2221613958	SXEZTCDSRYOTHR-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@]1(C)CC=C(C)CC1	2221628734	DCHSVFRCYCKXPQ-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1C[C@@H]1CC(=O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222909735	GPGLPQVBDMTDBC-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@@]12CCC[C@H]1C2	2223159237	NAEDJUAPLIVEIR-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CCCC[C@]1(CNC2CCC2)CCCC12CCC2	2223543206	XJYYSAQTWHTWQZ-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNc1ccc(Cl)cc1	2243008746	NHLIFGNWOAGTFQ-RYUDHWBXSA-N	237.774	4.578	0	10	BJAE	
FC(F)[C@H]1CCC[C@@H]1CCC1=CCCCC1	2244084702	PZHCWSAJXYTYPM-OLZOCXBDSA-N	228.326	4.948	0	10	BJAE	
CCC(O)(CC)CC[C@H](C)CCCC(C)C	2244850891	INBKHCPLJQJFLZ-CQSZACIVSA-N	228.420	4.780	0	10	BJAE	
CCC[C@H](C)CC(=O)C[C@H]1CCCCC12CC2	2246618077	RLYIGHCDISYJFS-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(CC)C(=O)CC[C@H]1CCC[C@H](C)C1	2246667049	XQHWURCGRMPYLM-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C(C)(C)C(C)(C)C	2247175629	KFXKAQVDEKDEIL-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2250354741	GIEBADNUAWCSAB-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(NC[C@H](CC)CCC)CC1	2250381524	OVMNLZCXMRNHRN-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CNC1CCC(C)(CC)CC1	2250387850	SOUOKZNLBVJOOU-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@@]12CCC[C@H]1CC2	2251163328	PVVKXMNZKSJMFP-LRDDRELGSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC)CC[C@]12CCC[C@@H]1CC2	2251202768	WGVILMSWTQLQNK-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251707571	MTBJFUVHCWOLCI-YNEHKIRRSA-N	238.415	4.700	0	10	BJAE	
CC1(C[C@@H](N)CC2CC3(CCCC3)C2)CCCC1	2254105615	QAQSLHFUIAHSLU-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNc1ccccc1C1CC1	2254513207	RXHDVKXRIXSWEM-DZGCQCFKSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C12CCCC1CCC2	2254527339	CSVBJJRBXOTTAD-FYKOZOLNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)CC[C@H]1CCCC12CC2	2255278441	NQDSTBUBLVWXGC-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@H](N)CC2(CC)CCC2)cc1	2256298725	VKHIGYAJQDRFPD-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CC1(C)CCC(C[C@](C)(N)[C@H]2CC23CCC3)CC1	2256484270	BUTXSSUGNPFPJV-ZBFHGGJFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(NC[C@@H]2CCC[C@H](C)C2)cc(C)c1C	2258234768	DSEHKPJTYHBIOR-BLLLJJGKSA-N	245.410	4.850	0	10	BJAE	
CCC[C@H](CC)CN[C@H](C)c1ccc(C)cc1C	2259462531	IMVQIJYZCYPNTE-CVEARBPZSA-N	247.426	4.780	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@]23CCC[C@@H]2CC3)cc1	2260515008	DQBFYNWNRLLEBG-NVXWUHKLSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@]12CCCC[C@@H]1CC2	2260525564	WDUZOUYFWCGDJU-PNBKFKSVSA-N	248.410	4.742	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@]23CCC[C@@H]2CC3)CC1	2260612880	QPJUIEQJVRDDMN-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](O)c2cccc(C3CCCC3)c2)CC1	2260717507	XNENYQDZDIVOEO-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CC(C)(C)CC1CC(C[C@]2(N)CCC3(CC3)C2)C1	2261137891	CWCZERLWSLFATO-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC1CC(C)C1)CC1CCC=CCC1	2261494837	GIQYTCZNUATMNZ-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)C[C@@H]1C[C@H]1C	2298648211	AETRLMOUIKSJKL-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H](C(C)C)C1CCC1	2298839057	PQYGEPZJLKVZPJ-HOCLYGCPSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H]1CCC1(F)F	2299008461	UJTHIKWKLVJLQS-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCC1CC(Nc2cc(C3CC3)ccc2Cl)C1	2300671018	CKMMYFYAAATDES-UHFFFAOYSA-N	249.785	4.818	0	10	BJAE	
C[C@H]1CC[C@@H]1CNc1cc(C2CC2)ccc1Cl	2300673357	GWSCENFPPPVJAQ-GXFFZTMASA-N	249.785	4.675	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CCCC(C)(C)C1	2300675550	GIJVVQRLISNTNM-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)CNc1cc(F)ccc1C(F)F	2300826276	LCSHVYWWAAJWFE-SECBINFHSA-N	245.288	4.611	0	10	BJAE	
CC[C@@](C)(CC=C(C)CCCC(C)C)CNC	2300865408	NBCWTPKRURYQOO-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CC[C@@H](C)[C@@H](C)NCC=C(C)CCCC(C)C	2300866028	VMEZDNUAPAPNIP-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H](CC)CCC	2300873191	XFTDGLNXXRMPCX-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CC(C)c1ccc(N[C@H](C)[C@H](C)C(C)C)cc1	2301825720	NMVLCNUSGWDVHJ-ZIAGYGMSSA-N	233.399	4.903	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)CCCC1=CCCCC1	2302360403	AMSPMPOZGJODBW-HUUCEWRRSA-N	237.431	4.680	0	10	BJAE	
CCc1cscc1NC[C@H]1[C@H]2CCCCC[C@H]21	2302888955	FJFRLHXPFLMSDN-BTTYYORXSA-N	249.423	4.549	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CCC(C)(C)C1)C1CCC1	2302900220	CNGXFVPDSLHJBB-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CC[C@@H]1C(C)(C)C	2303396595	AYYWPUDKXNETBQ-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(O)CCCC2(C)C)C1	2304398677	GMLAXZMTIJJSQV-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCCCCc1ccc([C@H](N)CCC)cc1	2307626780	IKKWCFUXZBECSJ-MRXNPFEDSA-N	233.399	4.609	0	10	BJAE	
CCC[C@@H](CC)C[C@@](O)(CC)c1ccccc1	2307847497	XFLXMFMNXZRYKB-ZBFHGGJFSA-N	234.383	4.501	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)C[C@@]12CCC[C@@H]1C2	2310388201	VATUIPWSNYSFON-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CN)C[C@@]12CCCC[C@@H]1CC2	2313343932	KUKYQLGLDQYBBK-YVSFHVDLSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](CC1CC1)C1(N)CCC2(CCCCC2)CC1	2313665747	DMRWPHYUJTVFNF-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1C[C@H]2CCC[C@H]21	2315891574	LTTKRVDXWWJUGG-BFYDXBDKSA-N	243.394	4.719	0	10	BJAE	
CCC(CC)CCC(=O)C(C)(C)c1ccccc1	2316239224	QAQULIGAHMZDAX-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CC(=CCNC[C@]1(C)C=CCC1)CCCC(C)C	2316492251	RTUFGGGATHQNBS-QGZVFWFLSA-N	249.442	4.705	0	10	BJAE	
CC(=CCN[C@H]1CC[C@@]2(C)C[C@@H]12)CCCC(C)C	2316492715	URGJEMFYYUDYRS-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@H]1CC[C@@H](C)C1	2318589257	OQEOHCSJMFGFQU-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](CN)[C@@H](CCCC2=CCCCC2)C1	2318592913	NTMFDBRATFPLTH-HYVNUMGLSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CCC(N)(CC[C@H]2CC[C@H]2C2CC2)CC1	2319741516	QGEOGFPWPYJJCV-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC(=O)[C@@]12CCCC[C@@H]1C2	2320226416	NTMGVPAIMVUNRG-QDEZUTFSSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCC[C@@H](C)CC2)c1	2321082668	KUXUOCFELFCFQB-IUODEOHRSA-N	249.373	4.769	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCCCC23CC3)c1	2321089658	QDDYGAWOVRXKCN-OAHLLOKOSA-N	247.357	4.523	0	10	BJAE	
CCC1(C)CC(C(=O)C23CC(CC(C)C)(C2)C3)C1	2321649388	DXXGYTGTHJUBTM-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CCC=C1CCC([C@@H]2CCNC2)CC1	2327906106	VCKUCYNQRXGGPQ-OEMAIJDKSA-N	249.442	4.539	0	10	BJAE	
CCCCc1ccc([C@@H](C)N[C@H](C)C(C)C)cc1	20522500	XZVNWCAZQLCZFD-HUUCEWRRSA-N	247.426	4.724	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccccc1COC	36938781	CNFQCICZOLYQJQ-CQSZACIVSA-N	249.398	4.604	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@@H](C)C2(C)CC2)cc1	37044560	VGTBLGACTNITQO-KGLIPLIRSA-N	245.410	4.649	0	10	BJAE	
CCCCCC(CCCCC)N[C@H](C)C1CC1	37259437	HWYOTIZEHGLBCT-CQSZACIVSA-N	239.447	4.904	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2ccc(F)c(C)c2)C1	71154607	YSKCUMOZZILWNQ-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CC[C@H](NCCC)C1	80406432	FJIMLMYXKZBUTD-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@H](N)C2CCC(C)(C)CC2)cc1C	87941994	QQYXHWRVDUURND-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CC(C(=O)O)=C1CCCCCCCCCCC1	94064582	FQLLPLOYUNXHKK-UHFFFAOYSA-N	238.371	4.692	0	10	BJAE	
CCCCc1ccc([C@@H](CC)CCC(C)=O)cc1	107478703	JEATZSGQZYQFTH-INIZCTEOSA-N	246.394	4.892	0	10	BJAE	
C/C=C\C[C@H](C)c1cc(Cl)ccc1OCC	107582329	ASNMLDRTBAJRAJ-QZPNVGJNSA-N	238.758	4.808	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCCC[C@@H]1NCC	109657926	QSHWGFGVZJVTHI-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H]1CC[C@H](C)C[C@@]1(N)CCC(C)(C)C	109700774	CQXNGMBIRGCJHP-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CCc1nc2ccc(C(C)C)cc2c(Cl)c1C	110471324	UZLRYNNGZDQGRB-UHFFFAOYSA-N	247.769	4.882	0	10	BJAE	
CCCCC[C@H](NCCC)c1cccc(C)c1	112892175	AHBJNSFJHHLPQX-INIZCTEOSA-N	233.399	4.616	0	10	BJAE	
CCc1ccc([C@H](CC(C)(C)C)NC)cc1CC	127977952	NEOQJUWKUAPAIX-INIZCTEOSA-N	247.426	4.508	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NC1CCC2(CCCC2)CC1	129209822	CNERFONULSVMKB-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@H](C)c1ccccc1C	148411042	LULNWQGFXXUKLY-VYDXJSESSA-N	245.410	4.614	0	10	BJAE	
CCCC(CCC)[C@H](N)c1cc(C)ccc1C	211751502	PUGHTMUNMATCCK-INIZCTEOSA-N	233.399	4.520	0	10	BJAE	
CC1(C)CCC[C@H](NCCCC2CCCC2)C1	225028994	GNZBKARWDQFIMK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)c1ccc(C)o1	225976422	FQDWLJVLXUCCST-KBPBESRZSA-N	237.387	4.598	0	10	BJAE	
CCCC[C@H](CC)CNC[C@H]1CCC[C@@H](C)C1	227560929	IHBMFEZHZCVGRH-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1cccc2ccsc12	228962958	ODKFBCSDKQFOKB-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CC1CCCCC1	229330215	YBQRDHODJFXZNV-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](c1c[nH]c2c(F)cc(F)cc12)C(C)C	233821459	YTBCXKWUWJYZNX-JTQLQIEISA-N	237.293	4.596	0	10	BJAE	
CN[C@H](C1CCCCCC1)C1(C)CCCCC1	234452181	UKYLDJIULUGYFB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)CCC(C)C)CC1	251914026	XWYYZJOLBCMANH-BZUAXINKSA-N	239.447	4.760	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@H]2CCCCC[C@@H]2C)C1	300079533	VHCFVOJGGFAYIZ-HJWJTTGWSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@H]2CCC[C@@H](C)CC2)C1	300575533	OPIHICSIYNSUCN-OHFALNGGSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccccc1C1CCC1	302421447	RAYWOGJRHHIAMQ-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@@H](C)CCC(C)(C)C)C1	302456836	DHYACXKZLCHDKS-LJISPDSOSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc2c(ccn2[C@H](C)CC(C)C)c1	304543728	SWAICBWNQJGKKC-CYBMUJFWSA-N	215.340	4.557	0	10	BJAE	
Fc1cc2cc(Cl)c(C(F)F)cc2s1	306922483	VMUWPAMSUOLTHO-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](C[C@H](C)CC)NCC	308040233	AKRDJANDDIAKEA-OAGGEKHMSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCCC[C@@]1(O)CC1CCC(C)(C)CC1	310187592	XYWJGELWQPEMRX-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](O)CCC2CCCC2)C1	310449480	VGLHTKIIJKCKOW-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](O)C1CCCCCC1	310504221	RZPLLZJJLPYVHH-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@H]1CCCC1(C)C	310835695	LHBUIXPIBGLRSU-CVEARBPZSA-N	245.410	4.636	0	10	BJAE	
CCC1(C[C@@H](O)c2c(C)cc(C)cc2C)CCC1	310983096	RHINDZUYJPLRGW-OAHLLOKOSA-N	246.394	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H]1CCCCC12CCCC2	311162267	YWVKCPWMSVVSRE-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](NCC)[C@H]1CCCC12CCCCC2	313009330	JBSDIOZBYNSHRF-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCCC[C@H]1CN	383245248	VRKSCNDNVIUPLT-HOTGVXAUSA-N	239.447	4.748	0	10	BJAE	
CCC1(C(=O)C[C@H](C)c2ccccc2)CCCC1	384687816	BYKFBILLCHOADO-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
CC(C)CNC[C@H](C)CCCC1=CCCCC1	384851923	LTKIBYCUDWGSMP-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H](C)CCNc1ccc(Cl)c(Cl)c1	394407279	QMTBRYCJEKZBGV-SECBINFHSA-N	246.181	4.842	0	10	BJAE	
CC(C)CCCCCN[C@H]1CCCCC1(C)C	394730116	GQLSBUSAINCCIA-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)[C@H]1NCC12CCCCCC2	395238953	SWJXCDLJLAULBC-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1cccc2ccsc12	395389223	WAAQALXTIKAIOF-NSHDSACASA-N	245.391	4.892	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CC[C@H]3C[C@H]2C3(C)C)c1	400653186	NEUMLDOGTUFPRC-IMJJTQAJSA-N	243.394	4.540	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)C[C@H]2CC=CCC2)C(=O)C1	402209762	IWJQLOFIVMULHX-ILXRZTDVSA-N	248.410	4.764	0	10	BJAE	
O=C(CCCC1CC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	405765543	XTHKYVHNHYSLAN-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc([C@@](C)(O)CC2CCCC2)c1	688914622	QJNCYLCHMPUIPH-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCC[C@@H](NCCCC1CCC1)C1CCCC1	689065871	GGDPAWIGBIQYLM-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCSc1cccc(N[C@H](C)CC(C)C)c1	689699689	KXZHLXMEFPZSKQ-GFCCVEGCSA-N	237.412	4.645	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCC(C)(C)C1=CCCC1	691074062	SBGFDBJAVDBFCQ-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCCCC[C@@H]1C	691130781	ZLZITXVQFNACCD-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CC12CCCCC2	691175432	JPWXKGFTOMUCGD-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H](C)CC2CCCCC2)C1	694718461	FKISOHWESQFAPW-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCCC1CCCCCC1	695108538	SMUBBHDASNPXKV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H]1CCC[C@H](C)C1	696251610	YYYRTPNKYYCSBD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](CCC=C(C)C)NC	697777266	IESCAJOJZCAHNX-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)C2(C(C)C)CC2)cc1	700034261	GJJQVKXMWMTWRO-CJNGLKHVSA-N	246.394	4.670	0	10	BJAE	
CCC[C@](N)(C[C@@H](C)CC(C)C)[C@H]1CC1(C)C	704477638	YLJXKFVFUHRMEL-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C(C)C)C1CC1	705366958	OMBQCUOEEVMFTK-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CNCC[C@H]1CC=CCC1)C1CCCCC1	706869695	QYWFRHSFDZVRDD-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
C1CCCC(CN[C@@H]2CC[C@@H]3CCC[C@@H]32)CCC1	707841756	GYPCBGXPEHXNSG-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H](C)CC(C)(C)C	708252622	AOJYMBHHGGZTCN-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](C[C@@H](CO)C1CCCCC1)CC(C)(C)C	709118456	OUVGJYVLQGGOQH-ZFWWWQNUSA-N	240.431	4.638	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)c1ccc(C)o1	711196893	SCCJAZCCMUDKSK-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCC(C)(C)C[C@H]1CCC[C@H]1CNC(C)(C)C	713182056	FIAUFTHWACYOFC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCCC12CCCCC2	713200042	RQBBAKZEACWEBU-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCNCC1(CC(C)(C)CC)CCCCC1	713250915	KXHUZZVETVLLLR-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@H](CCC)NCC(C)(C)C(C)C	713267795	IZNCJYFZLDYOSN-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@H]1CC(C)(C)CC	713268443	LBZBSJVJJAEOPC-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@]1(CC(C)(C)C)CCC[C@@H](CC)C1	713298889	QTNZWXDPCNSRQR-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C/CC[C@@H]1CCCC[C@H]1CNC(C)(C)C	713708582	GGMTYMXLKWDZTQ-ZWOPJXCPSA-N	249.442	4.703	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCC[C@H]2CCCC[C@@H]21	714288921	FMVKLDUEZVPCTH-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@H]2CCCC[C@H]21	714310496	HTURUGLXOZQKAH-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@H]1CCC[C@@H]1CCC(C)=C(C)C	718492336	HNVMPRXPZSDUKY-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
COC(C)(C)c1ccc(CCC(C)=C(C)C)cc1	718714845	HKORUNAHGLNBET-UHFFFAOYSA-N	246.394	4.857	0	10	BJAE	
CCCc1ccccc1NCCCCC1CC1	720138962	UVQHYAQUNRCWQR-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NCCC2CC=CC2)CC1	724179827	LEAMZMAEZRBPLS-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
C1CCC(CSCOC2CCCCC2)CC1	1613501983	WGUXZFNHIMAJJK-UHFFFAOYSA-N	242.428	4.607	0	10	BJAE	
CC[C@H](NCC12CCC(CC1)C2)C1CCCCC1	1616637159	SKJULFRFBCVCHK-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](CNCC2CCC=CCC2)C1	1621079522	BNYKTYOIDGZBEH-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CCCN(CCC(C)(C)C)Cc1ccc(C)cc1	1657604120	CQOLNDZRJXERCR-UHFFFAOYSA-N	247.426	4.643	0	10	BJAE	
CCCN[C@H](CCC)CCCC=C(C)CC	1900873126	CKHRFGKZFKIMIE-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
Cc1sccc1OCCCCC[C@H]1C[C@@H]1C	1904942820	ORIXHTJLNWGSAM-AAEUAGOBSA-N	238.396	4.652	0	10	BJAE	
CCC[C@H](CC)CC(=O)CCCCC1CC1	1905393252	UZNMANMLTHDIMG-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@@H](CC)CCC	1905448122	XVFSFBWNPFZWPF-KKUMJFAQSA-N	228.420	4.780	0	10	BJAE	
CC(C)(C)C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	1910808688	ACGAFSKHIXTWRW-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC=CC[C@@H](C)c1ccc(Br)s1	1911884389	SEIUHMLHKGIEEC-MRVPVSSYSA-N	245.185	4.580	0	10	BJAE	
CCC(C=C(CO)C1CCCCC1)(CC)CC	1911931760	OASMMYVUQHGUND-UHFFFAOYSA-N	238.415	4.702	0	10	BJAE	
CC(C)CCCCC[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1O	1916002498	UARYDCSWTIESRS-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@](N)(CC)c1ccc(C2CCC2)cc1	1920137143	FWQXZSJXFBHMFT-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@H]1CCCC12CCC2	1921605812	PKPNAKXPAJNESE-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@]1(CNC)CCCC12CCC2	1921612785	JREZRHNSSSOOKI-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@H](C)C1CCCC1	1924128089	YJNCYHKRLLDVDX-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC1CC(C(=O)C[C@H]2C=CCCCC2)C1	1925734784	BLANORBVAURUKZ-NFOMZHRRSA-N	234.383	4.518	0	10	BJAE	
CC(C)CNCC1(C[C@@H]2C=CCCCC2)CCC1	1925762237	ZNGNWNUBHZRXHX-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CC1(CNC[C@@H]2C=CCCCC2)CCCCCC1	1925813696	CKCHXXVVZIUBSG-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)[C@H](C)CCC(C)C	1937162530	YOXVOFXEXAUJLF-KGLIPLIRSA-N	226.404	4.700	0	10	BJAE	
CCC[C@@](N)([C@@H](C)CCC(C)C)C(C)(C)C	1937170351	UXDFSOKHAJFLPN-DZGCQCFKSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C[C@H]1CCC[C@@H](C)C1	1941249819	BWHUCCXIZFJNJK-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CCCCCC1CC1	1941575948	QJWVDWVAXQNOJS-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)CC1CCC=CCC1	1941792255	CHYBLANRAFUWHO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(NC2CC(C3CCC3)C2)c(Cl)c1	1942145971	NXLJSVBAZZGTMH-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
CC(C)CCCCCC1CCC2(CC1)C[C@@H]2N	1942916623	LOQCWRFLUQQIKO-PCKAHOCUSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)C(C)(C)C1CCCC1	1944621617	FTVDMULISNVHHI-UKRRQHHQSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C1CCC(C)(C)CC1	1944798860	GSBZAYCQGPXPAF-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCCC(N)(CCC)c1cccc2sccc12	1945963748	YQCWMWPAQQRVSM-UHFFFAOYSA-N	247.407	4.656	0	10	BJAE	
Cc1ccccc1N[C@H]1CCCc2ccsc21	1946344724	DPUVIDWDEPSNAX-AWEZNQCLSA-N	243.375	4.546	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)(C)C)CC(C)(C)F	1947084028	MZYMZMZFNYVROA-STQMWFEESA-N	245.426	4.565	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CC1CCC(C)CC1	1947470791	VODQTEWVHUZTFI-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC1(CO)CC(C)(CC)C1	1948412262	XOHQIYMDLIGYEB-QQFBHYJXSA-N	240.431	4.782	0	10	BJAE	
CCCC[C@@H](CCC1(C)CCCCC1)NCC	1948432206	IEICCMARFKOYEU-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CCCC1(C)CC1	1949052132	AXCTVVCKUQJFCE-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
Cc1cc([C@@H](N)CC2CCC=CCC2)c(C)s1	1949081725	SOBRINWFKGIWNS-HNNXBMFYSA-N	249.423	4.501	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCC(C)(C)C)CCC1(C)C	1949660415	IJNJXNATXQYDFX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CO)CC12CCCCC2	1950610699	DKKHUWQFEICBJO-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCC1(CN[C@@H]2CC[C@@H]3CCCC[C@@H]32)CCCC1	1965922183	AVQUPZSBIFPLDA-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CC3(CCCC3)C2)CC1	1967708616	RMGIXVMJJKMPQB-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](NC[C@@]1(C)C=CCCC1)[C@@H]1CC1(C)C	1967836136	BADLXJDFYZUJLW-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1ccc(C2(C)CC2)cc1	1967847578	QIGQBFBHEXZKQR-ZDUSSCGKSA-N	243.394	4.729	0	10	BJAE	
Cc1ccc(C)c(NC(CC2CC2)CC2CC2)c1	1968230898	XRQGERQRGNHNES-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
Cc1ccc(F)cc1NCC1CCC2(CC1)CC2	1968311524	AZZYADAQGVRQGB-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CCC(CC)N[C@@H](C)C1CCC(C(C)C)CC1	1968318454	JDLFLXMCCJPARY-NFOMZHRRSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(NC2CCC3(CCC3)CC2)c(F)c1	1968326027	AVSQKGDRUMYFIV-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C)c2cc(C)oc2C)C1	1972937148	WKSJEJMFSUDZJF-LBPRGKRZSA-N	249.398	4.516	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CC[C@H]2C[C@H]2CC1	1973359368	TXNPNFHSCQSKNH-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CCC1CCCC1	1986942391	AQRQXNSTDPJNBU-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)C1(C)CCCC1	1987599422	RDANDMGNWQXHAY-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC(=O)CCC(C(C)C)C(C)C	1988297048	CKZQOWRJPSZDCD-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CCCN[C@@H](CC(C)=C(C)C)c1cccs1	1989663809	GKQODRZGURLWBO-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
CCCC1CCC(CCC[C@H](N)CC)CC1	1989816556	MJVLXSQGBNUWQF-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)C(=O)CCCCC(C)(F)F	1993605315	VTAIIMZCZSYCHB-NSHDSACASA-N	234.330	4.597	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1cscc1C	1995265238	YKSDAPPZXGUBSS-BXUZGUMPSA-N	239.428	4.663	0	10	BJAE	
Cc1ccsc1-c1nc(CC2(C)CC2)cs1	1995466998	XMLLFKLUWJMHMI-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
CC1CCC([C@](C)(O)C2CCCCCC2)CC1	1996546078	GLPJXRVXWGNNPU-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC(C)(C)CC)CC1	1997118372	XEGTZPGCWQQAJW-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CCC1CC(C(C)(C)C)C1)NC	1998235396	WFYWIZXDSGTEIJ-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H](C)C1CC(C)(C)C1	1998638528	ISCASJGMIPMQQL-YDHLFZDLSA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2000048769	SKZSVKGLBOYQBT-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H]([C@@H](C)C(C)C)C1(CCC)CCC1	2000387615	LYIIDDOTWFDFJE-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(CC)(CC)CNC(C)(C)C	2000507759	HCWBGXDMTRNMIK-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CN[C@H](C)C(C)(C)CC)CC1	2002884463	RTNHMFOALLDZMY-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)[C@H]1CCC[C@H](C)C1	2003021448	QLRAYJLIKDMNCW-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C[C@@H]1CCC2(CC2)C1)NCCC	2003217598	LCUFLNPSPPVSOP-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC1CCC2(CC1)CC2	2003273482	SLWCQOANFOLNGA-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CC[C@@H]1CCCC[C@H]1CNC(C)(C)C	2004227417	SJYMMYSCICHWOB-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(N)([C@H]2CCC(C)(C)C2)CC1	2004338011	YUMMNQDJUQYLGA-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H](C)CC(C)C)CC1	2004342920	XHOXVMJQNMSYJP-QQFBHYJXSA-N	239.447	4.747	0	10	BJAE	
CC1(C[C@H](N)C2(C)CCCCCCC2)CCC1	2004920911	PGFOQSIBAUWZMF-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CN[C@@H](CC1(C)CC1)C1(C)CCCCCCC1	2004936522	ALYGBGIYDBLYOC-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](CCC2=CCCCC2)C1	2006662923	FPLZXKRWVSCPGR-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)C[C@H](N)C1(C)CCC(C)(C)CC1	2007691853	SVEWRFBHCRPSQV-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](O)(CCC2(C)CC2)C1	2009543563	HTVSSEZQUMUEDK-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCN1CCCC12CCCCCC2	2009576208	JJBXYPBEBGFZNS-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CC=CCCC[C@@]1(O)CCC[C@H](CC(C)C)C1	2009593239	MSZHUBFNLRMQJC-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H]1NCC[C@H]1C1CCCCCCC1	2009772456	OTEHMDGFADHJIA-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C1=CC[C@H](C(C)C)CC1	2010720888	PDNCYUXMZQHOTN-DZKIICNBSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@](C)(O)C(C)(C)C)CC1	2010724059	YCJJVGVOKYLBGC-LRDDRELGSA-N	238.415	4.556	0	10	BJAE	
CCCC(CCC)C(=O)CC[C@]12CCC[C@@H]1C2	2011010759	JDSHJFKLKIRACH-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1C[C@H]1CCCn1ccc2cccc(Cl)c21	2011566013	YELVWOMETHJEHW-WCQYABFASA-N	247.769	4.731	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1C[C@H](C(C)(C)C)C1	2013711195	QGNZOKFKBYOVQX-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
Cc1c(F)cc(N[C@@H](C)CCC(C)C)cc1F	2013714637	PGWOIZLOZTVJEU-JTQLQIEISA-N	241.325	4.510	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@@H](C)C(C)C	2015397717	JQDVHCGFRIHESD-LZWOXQAQSA-N	237.431	4.523	0	10	BJAE	
CCN[C@@H](CC(C)C)C[C@H]1CC[C@H](CC)CC1	2017727887	FMYTUGRHVVIJMJ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@@H](CC(C)C)NC)CC1	2017728434	LSSNWTIVBMCAED-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCCC2(C)C)CC1	2017730679	JUNSXTILRAPCIS-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1CC[C@H](CC)CC1	2017767824	ALDIIBHZQJUGLI-RBSFLKMASA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1CCC(CC)CC1	2017767825	ALDIIBHZQJUGLI-WLYUNCDWSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CC[C@H](C)[C@H](C)C1	2019125756	DRCWGGAYRGTDOW-SQWLQELKSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCCCN(C)C[C@H](C)C1CCC1	2019339846	GRLIBQYNBPTCOJ-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](C)N(CC(C)C)C1CCCCCC1	2020502473	NBOLGZVBPJYHFM-OAHLLOKOSA-N	239.447	4.856	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCNC12CCC2	2020579135	HTTUYLPYWKQDQP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CCCC(C)(C)CC1	2022501981	MHFCFMIVXXTZSM-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H](C)CC(C)(C)C	2022689863	XKNDDYXRNIZLTK-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC(F)(F)CCCCC(=O)CC1(C)CCCC1	2023346465	SUSXLVPOFHSTPL-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H](C)CC(F)F	2026168274	YYQCDHADYGEDKH-XQQFMLRXSA-N	249.389	4.602	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@H]1CC[C@H](C)C1	2026169483	IQWZVHBSWKPYPE-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cccc(C2(C)CC2)c1	2028553939	FKRLXTHKBMCPFC-CZUORRHYSA-N	246.394	4.598	0	10	BJAE	
CCc1cc(NCCCCCC2CC2)ccc1F	2028629030	RVHHSBTZINDQKZ-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C(=O)CC1CCCCC1	2029601383	VLCBMSHGWKRENH-OFQRWUPVSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)NCC1(C2CCCCC2)CC1	2029739635	BMYBPLKELYXESI-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CNC[C@@]23CCCC[C@H]2CCC3)CC1	2031808563	LSLQCTOFIJEMGF-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC2CCC3(CCC3)CC2)[C@@H]1C	2032254324	BPRNDMKUKHMDFX-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C(=O)C[C@H]1CCC[C@@H]1C)c1ccccc1	2032478917	AXTOIWYJNUNIDQ-IMJJTQAJSA-N	244.378	4.576	0	10	BJAE	
O=C1[C@H]2CCCC[C@@H]2C[C@H]1CC1CCC=CCC1	2034262315	ZREUXKAPHWJEOX-OAGGEKHMSA-N	246.394	4.518	0	10	BJAE	
CC1CCC(CNC(C)C)(C[C@H]2C=CCC2)CC1	2035589640	IPUUMTGNQZFOAZ-CGZBRXJRSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(N)CC1CC2(CC2)C1	2036727763	PKJACGHIKGDSHZ-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1)C1CCC1	2037161123	WVDUTTXQHNZLAU-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@@]1([C@@H]2CCC(C)(C)C2)CC=CCC1	2037681657	HOMAOLGQUOUCQN-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2CC3(CCC3)C2)C1	2037975451	XRSUBGLCQRPOHO-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)CC1CC2(CCC2)C1	2038083868	UJFYRNRZAYKKCQ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC1C[C@@H]2CCC[C@H]2C1)C1(C)CCCCC1	2039860880	ZMQJRJGIVHFXDD-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc2oc(C(=O)[C@H](C)CC(C)C)cc12	2042600206	WWVCFURWPGAYGT-GFCCVEGCSA-N	244.334	4.606	0	10	BJAE	
NCC1(C[C@H]2CCC=CCCC2)CCCCCC1	2045316479	DVKRNCDVNMDIMP-INIZCTEOSA-N	249.442	4.812	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCCCCC2)cc1F	2045597291	YARFHOUKJKXTDY-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@H]1CC12CCCC2	2047056765	VXNJVTPNHWSKLZ-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(CN[C@@H]2CC23CCCCC3)CC1	2049351847	JUTCILIRTGXGGQ-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC1(CCNC[C@H]2CCC3(CC3)C2)CCCCC1	2049856031	NQGZFGSOHLHFBX-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@H]2CCCC3(CC3)C2)CC1	2049932104	HJSRXQOEXYWMRV-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC(C)(CC(=O)CC1CCC2(CC1)CC2)C1CC1	2049933115	NHXKUKOIFCDMPI-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc([C@H](N)C[C@@H]2CCCC(C)(C)C2)c1	2050457406	BVAFPNLWORLBSW-GOEBONIOSA-N	245.410	4.601	0	10	BJAE	
Cc1ccc(C(=O)CC[C@H]2CCC[C@H](C)C2)cc1	2050465732	UZVBKWZALQTIKZ-LSDHHAIUSA-N	244.378	4.784	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2051595835	YMVOBQREDFPHGY-BDYLLLIDSA-N	249.442	4.514	0	10	BJAE	
CC1(CN2CCCC[C@H]2C2CCC2)CCCCC1	2051677284	YDDDWPCSURVKMZ-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](C[C@H](N)C1(C2CCC2)CC1)C1CCCCC1	2051909136	ATIJEUSBCGDOGI-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H]2CC[C@H]21)C1CCCCC1	2052288614	OKJSHLQUNBKADG-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)C2(C)CCC2)c(C)c1	2052348872	MZVHNQLLSSBWFO-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
CC[C@H](C)[C@]1(CNC2CC2)CCCCC12CCC2	2053352995	YKECIKYTGZJDDB-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
N[C@H](C1=CCCCCC1)[C@H]1CCCCC12CCC2	2053412700	QFEBYVVOKSYHFC-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)c1cccc(C(C)(C)C)c1	2055225763	LANUPYMKFGLAKH-WFASDCNBSA-N	244.378	4.603	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)c1cc(C)co1	2056869725	DRDOZZPRJSOICG-HNNXBMFYSA-N	247.382	4.519	0	10	BJAE	
CCC1(CC)CC(N(C)CC2CCC=CCC2)C1	2058857956	LHRMKOMMLZUJRM-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCCC1CC(Nc2ccc(C3CCC3)cc2)C1	2059392478	RMUUOSWAFUUIEO-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C1=CC[C@H](C)CC1	2060925195	JJHPKQZJSBDGDZ-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@H](NCC)C2=CC[C@@H](C)CC2)CCC1	2060926562	RXDYXRJSAQGUPS-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]1CC[C@H]1C1=CC[C@@H](C(C)(C)C)CC1	2061136663	BJKIUOFTHJLHFJ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1C(=O)CC1=CCC(C)(C)CC1	2061189561	OROUFAHGIXOHBT-UHFFFAOYSA-N	242.362	4.704	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)[C@]12CCCC[C@H]1CCC2	2062647371	SPPZXXSUSXGJML-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CCC(C)C)c1ccccc1C1CC1	2065994066	ZSHDCZUADQIMHS-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@H]1CCC1(C)C	2068255965	WOKDFVPIVCUSDG-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@@H]2CC23CCC3)cc1	2069180824	AVUKPWFEAAABKK-HIFRSBDPSA-N	244.378	4.769	0	10	BJAE	
Cc1cc(C(=O)CC2(C(C)(C)C)CCC2)oc1C	2071915524	OUJDTDPSOKORRK-UHFFFAOYSA-N	248.366	4.686	0	10	BJAE	
CC(C)C1(CC(=O)CC2CC3(CCC3)C2)CCC1	2071917586	LWMNDVZWGHQHQS-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2CCC[C@H]3C[C@@H]32)CCC1	2071926777	TWPXKGDPGMRWSD-MJBXVCDLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)CC1CC2(C1)CC(C)(C)C2	2072085455	ZATLPVVYMHYSKO-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC=C(C)[C@@H]2N)CC1	2072800993	JQSSJTGCVIOCPL-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCCC1(C[C@@H](N)c2ccc(C3CC3)cc2)CC1	2074566087	HIFZTICWULVCFQ-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCCCC12CCCC2	2074897949	ZGEHISQAUITVCS-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CCCC2(CCCC2)C1	2074899353	KBUBDGKNTYYJGH-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@@](CN)([C@@H]2C=CCCCC2)CC1	2075372662	ILOAYVVBJAEIBL-NVXWUHKLSA-N	249.442	4.668	0	10	BJAE	
CN(C[C@H]1CCC=CCCC1)[C@@H]1CCCC1(C)C	2077364213	VXENVWJNTPWHMW-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
Cc1cccc(NC[C@H]2C[C@H]2C2CCCCC2)c1	2079643920	ZCSKTRNDPBCHRH-WBVHZDCISA-N	243.394	4.623	0	10	BJAE	
C[C@@](N)(C[C@H]1C[C@@H]1C1CCCCCC1)C1CCC1	2079830419	AZBRSLBLWLFJSB-DJIMGWMZSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2C[C@@H]2C2CCCCC2)CCC1	2079831247	IOLHXGPMQGREAW-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)Cc1cccc(C)c1C	2082955109	AMIXKHJIGRCIBV-HNNXBMFYSA-N	247.426	4.560	0	10	BJAE	
CCCC1CCC(CC(=O)C[C@H]2CC23CC3)CC1	2086518579	ADHKXLURSVDPJA-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CCCCC1CC1	2211123471	ZXHGXIYQUODGHQ-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
NC[C@H]1CCC[C@H](CCCCCCC2CC2)C1	2213573200	FHVQSGKJSTXSEG-HOTGVXAUSA-N	237.431	4.502	0	10	BJAE	
NCC1CCC(CCCCCCC2CC2)CC1	2213574798	YKFQSMVJLGSXPJ-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCNCC(C)(C)CCCCCCCC1CC1	2213576062	LXRUPDPUHQDQRZ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H](CC1CC1)NCCCCCCC1CC1	2213582075	DHTFZHDXNLWDRD-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1NCC[C@H]1CCCCCCCC1CC1	2216888599	ATPHPDKERQVHPS-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC(C)(C)C)CCC[C@@H]1C	2217126203	AEFSJPJQUHBMKT-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)[C@@H]1CC12CC2	2218724079	FKARXNUVPVTUNT-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CCCC2(CC2)C1	2218731342	MVDKFNJHMTTYBB-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
Cc1cccc(CC/C=C/c2ccccc2)c1C	2219069872	MFZVKVOQQIYHHU-WUXMJOGZSA-N	236.358	4.949	0	10	BJAE	
CCC(C)(CC)[C@@H](C/C=C/c1ccccc1)NC	2219096885	ZWIDBHPHTKKBBK-QSOAKEGCSA-N	245.410	4.504	0	10	BJAE	
CC(C)c1cc(N[C@@H]2CCCCC2(C)C)ccn1	2220886497	WYOMWKGPBOLUPI-OAHLLOKOSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(CC2(C)CC3(CCC3)C2)C1	2221028448	PZVKBDDBXFEAAO-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc2c(ccn2CC2(C)CC(C)(C)C2)c1	2221086576	SPEKRWCVBHSJRE-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)[C@]1(C)CC=C(C)CC1	2221633834	WBWQCSZCIIPAKL-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(CNCCCCCC2CC2)CC1	2221643801	PGMJABIGEJZJEA-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](NC2CCC=CCC2)C1	2222271305	YRLGIJKYJAHGBN-HOCLYGCPSA-N	249.442	4.680	0	10	BJAE	
Cc1cn(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1C	2222978335	AKHJIILTNWNEDU-BRWVUGGUSA-N	245.410	4.711	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](O)c1ccc(C2CCC2)cc1	2223683224	GXVWCSHDKVIQFP-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cc(C(F)F)cs1	2244778927	BNTBLAKHKLLCBW-KWQFWETISA-N	248.338	4.545	0	10	BJAE	
CC1CC(C)(C[C@@H](O)CC2CCCCCC2)C1	2246445741	WLVJNZXXFQKCMY-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C[C@@H](N)CC1(C)CC(C)C1)C(C)(C)C	2246584371	JHQUCTCVTCOLNB-IOSBVQAASA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@](C)(N)CC[C@@H]1CCCCC12CC2	2246619929	IHCMDAPZCCAIBC-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(NCCCC[C@H]2C[C@@H]2C)c1C	2247099521	UEHOOCIFVZAPMZ-ZFWWWQNUSA-N	231.383	4.542	0	10	BJAE	
CCc1cccc(F)c1NCCC(CC)CC	2248100783	VBXWCKLRDADJSY-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1C[C@@H](N)C1(C)C	2250469300	NHJFCSIXAUBTTL-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@H]1CCCNC1	2250470019	VPCQVLUXDVDGBS-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1NCCC[C@H]1C	2250477047	SQJISGLSSNZRSC-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCN(CC(C)C)C1CCC(C)CC1	2252640076	PMRTYXVSVSTSFN-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CC[C@](CN)(CC[C@H]2CCCCC23CC3)C1	2253837102	CPNZJEKWBYFBPG-OAGGEKHMSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2C[C@@H]3CCC[C@H](C2)N3)C1	2253974787	XIYYGUFXXVQTKB-OZSLIKBDSA-N	249.442	4.514	0	10	BJAE	
CC(C)(NCC1CC2(CCCC2)C1)C1CCCC1	2254079573	KQPSYUHWLUFSAI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(NCCCC[C@@H]2C[C@H]2C)ccc1C	2254502002	IIERGMYECMOJHU-GDBMZVCRSA-N	245.410	4.796	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@H]2CCC2(C)C)cc1	2254970871	XVIDFCLJOTZLSQ-CQSZACIVSA-N	245.410	4.832	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@H]1CC1=CCCCC1	2255091036	GHVJAUFXFYOKHL-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
Cc1ncc2ccccc2c1CC1=CCCCC1	2255119893	YIRHZPSDMVTUJX-UHFFFAOYSA-N	237.346	4.586	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1C[C@@H](C)C[C@@H](C)C1	2256115041	LVFKPKIFUPMBPC-IMRBUKKESA-N	249.373	4.625	0	10	BJAE	
Cc1cc(N[C@H]2CCCCC2(C)C)cc(C)c1C	2258237392	NPOWVRDVCPIHKP-INIZCTEOSA-N	245.410	4.993	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@]12CCC[C@@H]1CC2	2260516006	KIXJQIUJXUZUBB-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@]12CCC[C@H]1CC2	2260584005	SHJSRLPMTRLAGE-QBYUYEEZSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H]1Nc1cccc(C2CCCC2)c1	2260717614	YWEWDZOTKZWZKR-GUYCJALGSA-N	243.394	4.945	0	10	BJAE	
CC(C)C(C)(C)NCc1cccc(C(C)(C)C)c1	2261363007	WCWDWVPDSVRWSL-UHFFFAOYSA-N	247.426	4.508	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC[C@H]2C[C@H]2CC)C1	2298134899	OCTMMLLXROYSHI-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@@H]2CCCC[C@@]2(C)O)C1	2298259010	HRTAQOMMUBAIFG-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(C)CCC[C@]1(C)O	2298474307	AYMRSGADGPCRMA-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]([C@H](C)CC1CC1)[C@H](CC)CCC	2298906704	BFNAAWHIYUAMEH-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCCC[C@@H]1C[C@H]1C	2300478582	QHFJIQXKLAWUCE-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CCCCCC1CC1	2300496332	IGHOSVPHEFUBDF-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CCC(CC)(CC)CNC1CC1	2300676328	NJJWDXPVHSJEBM-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CO)CC=C(C)CCCC(C)C	2300931033	GITBMHCFHLTLMP-INIZCTEOSA-N	240.431	4.948	0	10	BJAE	
CC(=CCc1ncccc1F)CCCC(C)C	2300933059	ZJDAEGGWJHBJTL-UHFFFAOYSA-N	235.346	4.536	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)CC1CCCCCC1	2301142655	LGASNGAVUSDCCD-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C(C)(C)NCCCC1=CCCCC1	2302344596	HXKHIWMSAPHBKF-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1c1cc2cc(C(C)(C)C)ccc2[nH]1	2302549812	XARBUEQVSPWCBO-MFKMUULPSA-N	227.351	4.589	0	10	BJAE	
CC(C)C(C[C@@H](O)CCCCC1CC1)C(C)C	2302571594	LZBLSHAWKDOPJE-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CC[C@@H]2C(C)(C)C)CCC1	2303396502	LTQIMSUEKAWJSA-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1CC[C@@H]1C(C)(C)C	2303472143	OUAKVHNIJIPXSB-OCCSQVGLSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)CC(C)(C)C)c1	2307500889	JGNMAJABSJOLNI-OAHLLOKOSA-N	234.383	4.588	0	10	BJAE	
CCC[C@H](CC)CN(C)CC1(C)CC(C)(C)C1	2307760850	MCIBOXYQGPHCNN-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CCCNC12CCCC2	2307828062	FBCGASLFSTXTCK-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
O=C(CCC1CCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309180393	AMQLFWOHHJPPDR-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC(=O)CCC[C@@H]1C[C@H]1C)c1ccccc1	2310426551	FQOSBXXYADFGMS-IJEWVQPXSA-N	244.378	4.576	0	10	BJAE	
NCC1(C[C@@H]2C[C@@H]3CC[C@H]2C3)CCCCCCC1	2312941375	CYQBROILKSFJQV-PMPSAXMXSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2313330722	OSRCBZWLUYKXIA-ORQFMDKSSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@]1([C@H](C)CC2CCC2)CC=CCC1	2313582311	YGXDKBFMBDORNF-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC(C)(C)C)c1ccc(C)c(CC)c1	2314710573	FSCFFUYXTUABNQ-MRXNPFEDSA-N	247.426	4.644	0	10	BJAE	
CCC1(NC[C@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2317004298	ZIAPLFSTSSXJMC-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)[C@H](C)[C@H](C)C(C)C)cc1	2317906642	JBJMKBRJCQITLL-KFWWJZLASA-N	246.394	4.596	0	10	BJAE	
C[C@H]1[C@H](c2ccc3c(c2)CC[C@@H](C)N3)CC1(C)C	2318247067	FVGSJKBBQFLMMG-TYNCELHUSA-N	243.394	4.583	0	10	BJAE	
CC1=CC[C@@](CO)(CCCC2=CCCCC2)CC1	2318541707	MUBKKHYZBSFOFM-KRWDZBQOSA-N	248.410	4.766	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@H]1CC12CCCC2	2318575224	CHTLERGIQODXOS-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@H](Cn2ccc3ccccc32)CC1	2320340606	NEJHKHDUADWYJT-OAHLLOKOSA-N	239.362	4.778	0	10	BJAE	
CC[C@@H](C)[C@H](C)N(C)Cc1cccc(C(C)C)c1	2320657057	JHGJEDARNBMJDW-CABCVRRESA-N	247.426	4.676	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CC(C)(C)C2(C)C)c1	2321083844	UOKSYMRORQYBPS-CQSZACIVSA-N	249.373	4.625	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@H]2CC[C@@H]3C[C@H]23)C1	2321624446	GYLVQZGVERXPGV-DSJMHWKBSA-N	248.410	4.598	0	10	BJAE	
CCCC1CC(Nc2cccc(C(C)C)c2F)C1	2327805050	YHAAOXRDDJWHRL-UHFFFAOYSA-N	249.373	4.940	0	10	BJAE	
c1ccc2oc(Cc3cc4ccccc4o3)cc2c1	33503685	AKLKOVJMASEBGP-UHFFFAOYSA-N	248.281	4.770	0	10	BJAE	
CCCCC[C@H](NCC)c1ccc(C)c(C)c1	35509319	DSKGKURBCCUECC-INIZCTEOSA-N	233.399	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCC)c1ccc(C)cc1	35540988	XJLPKLSPGXPMHV-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
CC(C)C[C@H]1CC(=O)c2cc(C(C)C)ccc21	41256533	OBUBYYIUBGQLGY-ZDUSSCGKSA-N	230.351	4.526	0	10	BJAE	
CC[C@@H](C)CC(=O)C1(c2ccccc2)CCCC1	62782495	ZGJHKTMDWPFAEZ-CQSZACIVSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@H](CC)N[C@H](CC)C1CCCCC1	69378885	BNQHBEYMTKXQKO-JKSUJKDBSA-N	239.447	4.904	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC2CCCCCC2)C1	70538001	FCWMBOLDSNDIOT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCCC1CCCCC1	70977912	FSQIYGUSNRGNRN-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCCC(C)(C)C2)c1	79972665	OQQZWJHBARCVPI-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC[C@H](N)c2ccccc2)C1	80390962	RYZLLURHAGYQLN-INMHGKMJSA-N	245.410	4.683	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](Nc2ccccc2)CC1	86921994	OFNBIAUXUAWREX-GDBMZVCRSA-N	231.383	4.848	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C2CCC(C)(C)CC2)c1	87941783	LTKKFPBTADTTEA-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CC/C(=C\C1CCC(C)CC1)CNC(C)(C)C	92726452	UQOUPJNFLPTCTL-SDNWHVSQSA-N	237.431	4.537	0	10	BJAE	
CC/C(=C\[C@@H]1CCC[C@@H](C)C1)CNC(C)(C)C	92726472	VFDLSAZQCXUAIE-NKUMRXJFSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCCCC2(C)C)cc1	94278386	RGGOWGJJFJXZIF-HOCLYGCPSA-N	245.410	4.614	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC)CNCC(C)C	104007409	ISRUTSLRKZSBMM-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCC(=O)CC[C@H](CC)c1cc(C)cc(C)c1	107482860	RZBLVRZDXNMSKW-AWEZNQCLSA-N	232.367	4.556	0	10	BJAE	
CCCc1cc2cc(C(C)C)ccc2nc1Cl	110312084	QBXNPRPTHTXTBU-UHFFFAOYSA-N	247.769	4.964	0	10	BJAE	
CC[C@H](Nc1ccccc1C)c1ccccc1F	122470221	XPVPDECOUOJMPW-HNNXBMFYSA-N	243.325	4.697	0	10	BJAE	
CCC[C@H](C)CC1(O)CCC2(CCCC2)CC1	130026576	MULIBRHCCXSRTO-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC(=O)CC[C@H]1CCCc2ccccc21	131377428	SANCNCCZTRZRHC-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
Cc1ccsc1[C@@H](C)NCCCCC(C)C	147333754	GODUJNJLTODMHK-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N[C@H](C)C1CCCCCC1	150048070	SBXWLWMHFAUQGT-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@H](C)c1ccc(C)cc1	159898189	STGMBWQVQBHKQZ-FRFSOERESA-N	247.426	4.860	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1csc2ccccc12	162085847	WMBRJXHXWZMUCX-FZMZJTMJSA-N	247.407	4.727	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCc2ccc(C)cc21	163409669	AKKDTMBLFOEYJU-WMLDXEAASA-N	245.410	4.541	0	10	BJAE	
CC(C)CCC[C@@](C)(CNCC(C)C)C(C)C	166106905	LKYQOCROXTXIAS-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
C[C@H]1CC[C@@H](NC(C)(C)CC(C)(C)C)[C@@H](C)C1	221913183	XBUDBFVYJLYVGT-MELADBBJSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCC[C@H](C(C)C)C2)c1	230987658	DJOAVRATQPRMET-UONOGXRCSA-N	249.373	4.761	0	10	BJAE	
CC1(CN[C@@H]2CCCC[C@@H]2C2CCCCC2)CC1	232913872	LCAQITXDLKRMOR-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](C)c1c[nH]c2ccc(OC)cc12	232981646	RCKSUONQBIZYFJ-LBPRGKRZSA-N	245.366	4.860	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@@H](C)c1ccccc1	233089850	DWLUOUXZZAWPCZ-WMLDXEAASA-N	247.426	4.595	0	10	BJAE	
CCC[C@@H](C)C(=O)c1cc2ccccc2s1	233272997	QSMYXOFOBPZAKU-SNVBAGLBSA-N	232.348	4.520	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc2c(O)cccc12	233284601	CFBVLQLWWPOSDQ-GFCCVEGCSA-N	243.350	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H]2CCNc3ccccc32)C1	233955763	SWJHNGYPLHMMCZ-KFWWJZLASA-N	243.394	4.802	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)C2=CCCCCCC2)C1	234091653	CJGQRMPGOGLWJG-UAGQMJEPSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](C1=CCCCC1)C1CCC(C(C)C)CC1	234450950	BNBRVZASPBBEKZ-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)C2=CCCCCCC2)c1	235874123	XSISAJQKZNPTKE-KRWDZBQOSA-N	244.378	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@H](C)NCCC	251266561	CMHFCGOJEOKHMS-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1CC[C@@H](CC)C1	251379948	RNBJEEHNFFLUNQ-FZKCQIBNSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	253026153	DDHJVNUUVQIKHT-BFJAYTPKSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCC23CCCCC3)[C@H]1C	299949704	CMSUMOVQLAMAFS-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C1(C)CCCCC1	300244983	HQSZZVNWPQARPW-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@H](CC)C2)ccc1C	306043258	SJUXRUQNRRCPFC-GOEBONIOSA-N	245.410	4.938	0	10	BJAE	
CCOc1c(Cl)sc2cccc(Cl)c12	306531483	APYKHSMJKQPILK-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
Cc1sc2cc(C(F)F)ccc2c1Cl	307313224	TULCBQAEORCJSN-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](NC)C1CCCCCC1	308104432	UIOQZAIFMFEIEL-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@H](O)C[C@@H](C)CC(C)(C)C)CCC1	310542744	UAGJHYVZPULCGT-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](NCC1CCC(C)(C)CC1)c1ccco1	311040125	VEGIMGXQFPOYCR-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CCCCCCC(=O)c1ccsc1Cl	312545145	PWVKQGRZCLHHON-UHFFFAOYSA-N	230.760	4.555	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CCCCC2)C1CCCC1	313001897	BXDBXUFDAJBGKB-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@@]1(CC(CC)CC)CCC[C@H]1C	317699516	DBHJFXNGYNCZJT-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC1(CC2(CNC(C)(C)C)CCC2)CCC1	317988976	RVEGQEODBQBDLO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CNC1CC1)C1CCCCC1	318114403	VHYPWEYFEPJTGO-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
C/C=C\C[C@]1(CNC(C)(C)C)CCCC[C@H]1C	318251745	GRPNGGQMVBKEHF-SAABFPIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)n1ccc2c(C)cccc21	319722064	VODXATAGIOSEEU-WCQYABFASA-N	215.340	4.557	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CCCC1)C1CC1	380198622	QYCJMZZXFTUCIZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc([C@H](N)CCCCCC(C)C)cc1	383234300	ULNUTOWNWNHVFR-QGZVFWFLSA-N	247.426	4.855	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCCCCC(C)C)C1	383290416	QUTCFPJBSIAZHP-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@H](C)CC(C)C	383641219	ZTLVJZZRDMODAW-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@H](O)c1ccc2ccccc2c1C	384366509	GWAFIRMPABSIHW-KRWDZBQOSA-N	242.362	4.618	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](CCC2=CCCCC2)C1	385260250	YHYBQWPRWRIEND-CVEARBPZSA-N	248.410	4.908	0	10	BJAE	
Cc1cscc1N[C@@H](C)CCC(C)(C)C	387044825	RRWUMLVFTNYWAT-NSHDSACASA-N	225.401	4.683	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC2CCCCCC2)C1	394553037	GREZMOIWECAEKN-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(C)cc1C	395117205	HQWCDAZMYBKJSW-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CCc1cc(F)c2c(C(F)F)csc2c1	396204863	XJXFRYWWJOKFEF-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
COc1ccc(Cl)c2c(C(F)F)csc12	396294339	XBTWKIWVOIUHHL-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC(C)C)(CC2=CCCC2)C1	401164873	KQHDYYRLFJRDFJ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC(C)(C)C1CC1	405766583	JEWLSYHGUGBJRV-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(CC(=O)CC1CCCC1)c1ccccc1	686735504	UVIIMBPHYMWTGX-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCC1(CN[C@@H](C)CCCC(C)C)CCC1	687525123	DDRNTASQIRPVFY-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCCC[C@@H]1C	691134911	HNJPLDGIPZJESW-XJKSGUPXSA-N	245.410	4.938	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CCC12CCCCC2	695152769	LPHBDFBNMCCGGX-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](NCC1CCC2(CC1)CC2)C1CCCCC1	695698257	DKAYNCOBYWINNG-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H]1CCCC2(CC2)C1	695915281	FPXXHUGVIIYHRK-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C1(C(C)C)CC1	697559255	QBWRVYCSGMHUSS-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C1(C)CCCC1	697759345	GPLYJKJEPZAKRK-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)oc1C	699078432	PNHSJQFRCLXHEI-ZBEGNZNMSA-N	248.366	4.542	0	10	BJAE	
CCN[C@@H](c1cscc1C)C(C)(CC)CC	701171808	QPLNOCGSRJBWMR-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC(C)(C)CCCOc1cc(F)cc(Cl)c1	703710539	UJWXQYKLNZQWPY-UHFFFAOYSA-N	244.737	4.684	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)CCCCC12CCCC2	704861189	PEDUOTWIMVHYHA-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCCCC[C@H]1CC	704953775	VYUHWXKYECQQDK-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
C[C@H](C[C@@H](O)c1cc(Cl)cs1)C(C)(C)C	710773309	PTNBVAATJPEZJT-PSASIEDQSA-N	246.803	4.507	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@H](C)C(C)(C)C)CC(C)(C)C	711106416	GJZIKLUKQRVXDN-HZSPNIEDSA-N	241.463	4.848	0	10	BJAE	
C[C@H](/C=C1/CCC[C@@H]1[C@H]1CCCCN1)C(C)(C)C	711210258	RUKUIJPNMMWLPC-WQWUXYRGSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CN[C@@H](C2CCCC2)C2CCC2)CC1	711830960	HKMFXDORNBKIEW-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@H]3CCCC[C@@H]32)c1Cl	712390888	QFPIZTCJBZTERO-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
CC(C)(C)C[C@@H](O)C1CC(C)(C)CC(C)(C)C1	713171144	LHQJATPLGMIJDH-CYBMUJFWSA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@H](CC(C)(C)C(C)C)C(C)(C)C	713209841	DWNCVCDUFJPGGZ-AWEZNQCLSA-N	241.463	4.721	0	10	BJAE	
CC(C)C[C@@H](CNC(C)C)CC(C)(C)C(C)C	713224049	YFILDDOAFATLOI-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)[C@@H]1C[C@H]1CC(C)C	713667939	IRPCVOJKMILIFV-RMGSUIBPSA-N	249.442	4.559	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)c1cccc(C)c1	713737102	YTCLVVIHXNTHNW-TUYSUELWSA-N	243.394	4.558	0	10	BJAE	
CCCN[C@@H]1c2cc(C)ccc2[C@H](CC)[C@H]1CC	714356853	POLUQIBPZJTIGT-CPUCHLNUSA-N	245.410	4.569	0	10	BJAE	
C[C@@H](C[C@H]1CCC(C)(C)CC1=O)c1ccccc1	717439365	PGOGESRXPGIKLM-DZGCQCFKSA-N	244.378	4.576	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(O)CCCC2(CC2)C1	723553405	ICLJGJNYVHHBFU-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@]12CCCC[C@H]1C2	822083052	UIONDJRMTNONJA-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CNC[C@H]1CCC=CCCC1	1179763101	FJWVIBPCZGDYLP-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](C)CCNCC1CCC(C)(C)CC1	1203511261	RQUDNWZPXUZVAZ-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C/CCSCc1ccccc1Cl	1307329979	JUPXEDDESKUDQF-ONEGZZNKSA-N	238.783	4.706	0	10	BJAE	
Cc1ccc(S[C@H]2CC[C@@H](C)C2)cc1C	1640683544	FUWOBQRBTUWMQB-MFKMUULPSA-N	220.381	4.584	0	10	BJAE	
C[C@H]1CCCC[C@]1(C)NCC1CCC2(CC1)CC2	1643344420	MHWPVKQXEAFTII-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1S[C@@H](C)c1ccccc1F	1651774102	BNFGJGHQFNBYSZ-LBPRGKRZSA-N	246.350	4.987	0	10	BJAE	
CC(=CCC[C@H]1CCOC1)CCCC(C)C	1900897235	HMWPHETXLXTKAZ-HNNXBMFYSA-N	224.388	4.576	0	10	BJAE	
CCC(CC)c1ccc(C(F)(F)F)c(F)c1	1901880774	DYCXXZNZLFVYLF-UHFFFAOYSA-N	234.236	4.748	0	10	BJAE	
CCCC1(CNc2cscc2CC)CCC1	1902377445	UNOCNWJHZHSEQM-UHFFFAOYSA-N	237.412	4.693	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C(CC)(CC)CC	1905433275	GFBWANHFJBEPMB-KGLIPLIRSA-N	227.436	4.747	0	10	BJAE	
CCC=CC[C@@H](CC)c1sccc1C	1912071383	LEYKYHXLOMSLRG-GFCCVEGCSA-N	208.370	4.906	0	10	BJAE	
CC1(C)C[C@@H]1CCCC1(N)CC2(CCCCC2)C1	1912612944	AIRPBWNMHKPOTG-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C2CC3(CCCCC3)C2)C1	1912630143	ZBGNORBEELNTGF-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC)[C@H]1CCC2(CCCC2)C1	1916435629	OWJYFUKRKFEARF-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
N[C@H](CCC1=CCCCC1)[C@H]1CCCC12CCC2	1921620921	RAMPOYDYNYFCBA-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CCC(CC)C[C@H](N)CC1C[C@H](C)C[C@@H](C)C1	1926376816	VENLPOLZVQUOTM-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
FC1(F)CCCC[C@@H]1CC[C@@H]1C=CCC1	1932592017	FIRALJVMJWDWAL-VXGBXAGGSA-N	214.299	4.558	0	10	BJAE	
CC1(C)CCC[C@](O)(CC2(C)CCCCC2)C1	1940410195	QNKUGHCLJSQBCT-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@H](C[C@H](N)CCC[C@H]1CC1(C)C)C(C)(C)C	1940878575	UVLFFZLQXUEANU-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CN[C@H]1CCCCC[C@@H]1CCCCCC1CC1	1941688494	WNZQTXUEHASNKN-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C(CC)CC)C1(C)CC(C)(C)C1	1941985573	LEZXTVQGKGXKGP-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@H](C)CCC(C)C	1942663146	OYONIUVDTROOAW-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](C)[C@@H](C)CNCC(C)C	1942665387	XWFOSMWSIGHLDK-HRCADAONSA-N	241.463	4.577	0	10	BJAE	
C[C@H]1CC(CC(=O)CC2CCCC2)C[C@H](C)C1	1944198327	GBLQXDDYDOAPLH-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@]1([C@H](C)CCC)CCCC1(C)C	1944484223	DEAYYLPOKHZAKY-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(C2(C)CC2)cc1	1944598463	OKSCSNFMWAAJGV-CYBMUJFWSA-N	231.383	4.729	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C(C)(C)C1CCCCC1	1944639121	BNUQWOGAFMXQPT-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CCC[C@H]1CCC[C@@H]1C)C(C)(C)C	1944843012	OSHVYFZTQVJIQS-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)CCNC1CCCCCCCCC1	1947881163	LGXPNQZJSPFYEY-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCNCC1(CC(C)(C)C)CC(C)(CC)C1	1948407104	JZMKLDORJDVMOE-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCCC[C@H]1CC1(C)C)C(C)(C)C	1949830923	PEKCHCAVJXIGAY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(Cl)c1NCC1CC2(CCC2)C1	1949838412	XAEGIKBFPRQWBR-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
CCC[C@H](C)CNC[C@@H]1CCCC(C)(C)CC1	1950923283	SPCXBLBTPMVBBG-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CCCCNC(C)(C)C	1950970375	IILGAXLDXYPRER-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2sccc2C=O)cc1	1951261221	OHKYUHQFWBDCFF-LLVKDONJSA-N	244.359	4.741	0	10	BJAE	
F[C@@H]1CCCC[C@H]1C[C@@H]1C=CCCCC1	1962586922	XHVHRIAXZPGIMO-HZSPNIEDSA-N	210.336	4.651	0	10	BJAE	
CC[C@@H](NCCCCCC1CC1)c1ccccc1	1966182937	JPJRQAQTVJKCRS-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H](C)CC(C)C)CC1	1967707632	GQVOHEJZPHDTJL-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC2(CCCC2)C1)C1CCCC1	1967857146	YHAAFPRLPDFDCO-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CC[C@@H](CNc2ccccc2C(C)(C)C)C1	1968320507	NJQKBCPVCNRICW-UONOGXRCSA-N	245.410	4.832	0	10	BJAE	
CCC(C)(C)CN1CCCC(CC)(CC)CC1	1972282195	CZVBKIKODVGQPC-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
C[C@H]1CC[C@@H](CNc2ccccc2C2CCC2)C1	1973432271	YYJSVQMCXZLZJG-UONOGXRCSA-N	243.394	4.802	0	10	BJAE	
CCCC(C)(C)C(=O)[C@H]1CCC[C@H](CC)C1	1976008419	MGKHNZOTJXHBRY-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)CCNC1CCCCCCCC1	1980335397	ZOZCTUQBMXLBTJ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@H]1CCCCCCC[C@@H]1N	1980352433	VAIWILHGXJOOPG-GJZGRUSLSA-N	225.420	4.645	0	10	BJAE	
CC=CCCC[C@@](C)(CCCC)CNCC	1984633082	SQFHZCIKUKFCSF-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CC(C)[C@@H](C)CC1(O)CCCCCCCC1	1988243892	SQMGZWOMJUHWGH-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCSc1ccccc1NC[C@@H]1CC[C@@H](C)C1	1996209956	VKQDOJVVFJTXQP-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
Cc1ccc(C)n1[C@H](C)C1CCC(C)(C)CC1	1996565577	BPBPKCSSEPBQIZ-CQSZACIVSA-N	233.399	4.882	0	10	BJAE	
CCC(CC)[C@H](C[C@@H]1CCC=CCCC1)NC	1999990830	MUCPRXNFNHRWPB-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H](C)c1ccccc1	2000190412	MZHWXXPTTLYIQA-CQSZACIVSA-N	232.367	4.576	0	10	BJAE	
CCCCN(CCCC)[C@@H]1CCCC(C)(C)C1	2000900059	JMSUTHJFUQFPNB-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CC1(C[C@]2(O)CCCC[C@H]2C(C)(C)C)CCC1	2001142815	XYSINSUCMWPNQA-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1ccc(C(F)F)o1	2002047449	YHDDMUROGBCZHI-SECBINFHSA-N	244.281	4.616	0	10	BJAE	
CCC1CCC([C@@](C)(N)CCC2CCC2)CC1	2002923337	GDVINAJNDYMJQB-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(N)[C@@H]1CCC[C@H](C)C1	2002998371	KSJXPEXOHDKVIS-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CCNC1CCCCCCCC1	2003099175	JWBKLKYNIYIEAH-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
O=C1CCCCCC[C@@H]1[C@H]1C=CCCCCC1	2003116881	LRUGWDRWRGDRAE-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@]1(C)C=CCCC1	2003327423	VKGPKENSLMUDBU-ZBFHGGJFSA-N	236.399	4.908	0	10	BJAE	
CCCC(CCC)CNC1(C)CCCCCC1	2004716662	HUBYARPQECANAB-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCC(C)(C)CCNC[C@H]1CCCCC1(C)C	2005583183	MIEPNVLRISWMLP-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1C[C@H](O)C[C@@H](C[C@H](C)CC(C)(C)C)C1	2006653839	UYTNHFBNOZOIGY-AJNGGQMLSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C1(C)CCC2(CC2)CC1	2007699849	ZMVUAZOZFIITDT-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)C(C)(CC)CC	2007934322	JDGXZEUOLLUYQB-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@]1(C[C@@H]2CCCC(C)(C)C2)CCCN1	2009066881	JQYAKQGFCSONNP-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@H](N)c1ccc(C(C)C)cc1	2009571446	GZPDNIMYFRTOPO-INIZCTEOSA-N	231.383	4.556	0	10	BJAE	
CCCCC1CC(N)(CC2CCC(C)CC2)C1	2009790234	UKBVWMNCCJEYGO-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C2(C)CCCC2)C1	2014339342	LNAZXPFYIPNFOG-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C[C@H](N)CCC1CCCC1)C(C)C	2015285600	XXRJHGYZFJTJEV-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](C)CC(C)(C)CCC(C(C)C)C(C)C	2015345565	UCKPEKSHTXHLNK-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CCCC1(COc2c(C)cccc2C)CCC1	2015595988	PALXFGMDZBVIHA-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CCCC1CC([C@@H](N)CC2(CCC)CCC2)C1	2015639310	FQWUFRHEWYQREV-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC1(N)CCCCCCCCC1	2016469266	WZVFRMOTNBGIIT-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](CSc2cccc(N)c2)CC1	2017715926	OXJNUUZDHUIMTD-JOCQHMNTSA-N	249.423	4.577	0	10	BJAE	
CCCC1CCC(CC[C@@H](N)C(C)(C)C)CC1	2017730074	CQHWTGCHBRARJD-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CN(CC)[C@H]1CCCC[C@@H]1CC	2019203084	ZGYWDEMCXDPWLG-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
O=C1CCCCCCC[C@@H]1[C@@H]1C=CCCCC1	2019537294	RGXMDZFXHZHWBL-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CC(CC2(N)CCCC2)CC(C)(C)C1	2024100289	BHGZJYXPOJOTTJ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2CCCCCC2=O)C1	2024103450	ZVZOCGSMJJZEAV-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CCC1(C)CC1)NC	2026170365	PENXCNYZGBAYIA-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)cc(C(=O)CC2(C)CCCCC2)c1	2027296919	OSHOHDFWFORMGV-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CC1(CCc2cccc3c2NCCC3)CCCC1	2027306178	ILODJRCPVMFITK-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC(C)NC[C@@]1(CC2CCCC2)CC=CC[C@H]1C	2027921725	XRHXDXBWXMGRIP-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(=C2CCC(C(C)(C)C)CC2)CCN1	2028113911	BMGSOUACTAILEE-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](c1cc(C)ccc1C)[C@@H](CC)C(C)C	2028250729	AANXKHJRUTWTKB-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
O=C(CC1CCC=CCC1)C[C@H]1C[C@H]2CC[C@H]1C2	2028875909	RQRIEYIMAIJKJW-HRCADAONSA-N	246.394	4.518	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)c1ccc(C2CC2)cc1	2029822180	AMHRNOVCRNLXER-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
C1CCC(CCCNCC23CCC(CC2)C3)CC1	2033440779	BMMMQKZFIRWAEL-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCCC2)CCCC[C@H]1C	2035597308	BVKZGPGBLADUTN-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
N[C@@]1(C2=CCCCCC2)C[C@@H]2CCCCC[C@@H]2C1	2037100978	NMLQGMSRGZHXDL-SCAQPMJSSA-N	247.426	4.565	0	10	BJAE	
C[C@H](C=C1CNC2(CCCCC2)C1)CC(C)(C)C	2037749332	PEFRKKKEZCOXSP-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@@H]1CCC2(CC2)C1	2038581105	YOXWBSNEPJNEGA-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@H]1CC12CCCCC2	2038996455	KYWIRCGVNNQESI-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H]1C[C@@H](C2(C)CCCCC2)C12CCCC2	2039844889	XWRWCQDNROVXKJ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]([C@H]1CCC[C@@H](CC)C1)C1(C)CC=CC1	2042018343	DMHRNOQDDIXNRL-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(CC2(CC)CCC2)CC=CCC1	2042093639	JFUSFKODVABNLW-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)C[C@H]1CC12CCCCC2	2047006848	DTSARPMDNHFSOM-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@@H]3CCCCCC[C@H]32)CCC1	2047412076	IYZLPGUITWXWTI-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(CCC2CCC2)CCCCC12CCCCC2	2047559883	BSHNLXLFMIDVFG-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC1(C)CCC[C@](CNC2CC2)(CC2CCC2)C1	2049489078	AOOMMEXEVVRHLW-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C[C@@H]2CCC3(CC3)C2)C1	2049928383	GUIAQFCWUATCBU-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@H]1CCC2(CC2)C1	2049937648	ICFDUUWZZCTDEN-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CC[C@@H](C)C1CCCCC1)c1ccco1	2050523680	WIGZCPOJHWGESO-HIFRSBDPSA-N	249.398	4.537	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@H]1CCCCC12CC2	2053412648	PYWDLXXTQUHZMS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN([C@H]1CCCCC12CC2)[C@@H]1CCCC(C)(C)C1	2053432756	YUPGUXOUHQEZCG-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CC(C)c1ccncc1NC1CCC(C)(C)CC1	2053853500	JIEUGNJBNJGVQU-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
C[C@H](Nc1ccc(CF)cc1)C12CCC(CC1)C2	2055671398	HXKUBQJCHDAUBL-FUJMWEONSA-N	247.357	4.537	0	10	BJAE	
CC(C)C[C@]1(C2=CC[C@H](C(C)C)CC2)CCCN1	2061087395	FQZXGYNCIAPFDK-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(C1=CC[C@@H](C(C)(C)C)CC1)C1CCC1	2061114219	WNLRKMNCBFKNQM-CXAGYDPISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@](O)(CC2CC(=C3CC3)C2)CC1	2061692158	XQAOJIMCSDKFHY-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CC1CC(=C2CC2)C1	2061696585	RONYNWVXILUTAZ-HOTGVXAUSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2CC(=C3CCC3)C2)C1	2061701662	MOMWMTQAAGVFCG-DOMZBBRYSA-N	246.394	4.662	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)C2CCC3(CC2)CC3)C1	2062825482	IMKIJYLATPVGJK-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063717148	NXVZFSAESWFFMO-TUVASFSCSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNC12CCC(CC1)CC2	2065267041	BVCZEWHWZOXXJH-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CC23CCC(CC2)CC3)C1	2065276464	DOVOOWXHODTYLB-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC1CC(=C2CCC2)C1	2065988031	PIWMTZJXHXMKOJ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC=C=CCCN[C@@H](C)C1CCC(CCC)CC1	2067321404	KSTLOBFKTNCXML-RUNPLJPQSA-N	249.442	4.692	0	10	BJAE	
CC(C)c1ccncc1N[C@H](C)C1(C)CCCC1	2067530502	RHLDCKSGZJFPHH-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H]2CC23CCC3)CC1	2069179061	OUWZVUYVAULPTL-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C[C@@H]1CC12CCC2	2069196358	HFNHQJPPOFXGTQ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C[C@H]1CC12CCC2	2069198333	UXFZGNOCARDMJZ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1([C@@H](N)C2=CC[C@@H](C(C)C)CC2)CC1	2069521334	KEDAWDUWEPODKQ-ZBFHGGJFSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@]23CCC[C@H]2C3)CC1	2070968031	RMWMPHDKXLFSKG-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1C)C[C@@H]1C=CCCCC1	2072074711	CPMITNNVRSAJLB-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CCC1)[C@]12CCCC[C@H]1CCC2	2075851291	CESJTHZUBWCPQC-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1[C@H]2CCCCC[C@H]21	2077193880	DUFARKPPLUGZPC-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)c(C)c1	2077363652	ZBGSSLTWRGIZQP-DZKIICNBSA-N	243.394	4.540	0	10	BJAE	
CCCCCc1ccc(-c2ccc(N)c(C)c2)o1	2077976294	QMIYIGMFVYJSRY-UHFFFAOYSA-N	243.350	4.570	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@@H]2C2CCCCC2)CCCC1	2079631752	CVVJFVNUHVQSDY-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN[C@H]1CCCC2(CCCC2)C1	2079651388	QAOCVVORXWMWHK-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C=C(CNCC)C1CCCCC1	2079670060	KNGNYVNTKACKKA-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C1(C)CCC2(CC2)CC1	2079853443	UYRRDYOSITVRMC-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCCCCC[C@H](N)CC1C2(CCC2)C12CCC2	2083566341	KJWGHUDPYWPPPE-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CCCCCCC1CC1	2213572024	QFZBLEJAACTOTG-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CC([C@@H](N)CCCCCCC2CC2)C1	2213581493	XDQZAQBDJLNDSZ-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N1CCCCCCC1CC1	2213583977	YBRBUWZNKPTKMG-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
Cc1cc(C)cc(CC=Cc2ccccc2)c1	2213824740	KMRGAFYJJGKGRD-UHFFFAOYSA-N	222.331	4.559	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CCCCC1CC1	2214572569	FHCSSDOLSJYFDZ-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)C2CCCCC2)C1	2214766476	YJNVQFBPWDJCME-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@](C)(O)CC1CCCCC1	2215249038	ILRCEAQYECHCIU-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)C2(C)CCCCC2)C1	2215393177	AYFFZOPELUSQJY-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](NCCC)[C@]1(C)CC=C(C)CC1	2215813997	PRSDQAFJNMWYFO-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)NCC(C)(C)C[C@H]1CC[C@H](C)CC1	2217136316	LOPMQGDRXGYSRS-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC1CCC1)C[C@H](C)C(C)C	2217142790	RTJLYEQBQKSJGV-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)CC1CCCC1	2217154723	WPDXEHIWGCEHRZ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218355903	HRURWEYYMIVNJX-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C(CCC[C@@H]1CN[C@@H]2CCCC[C@@H]12)CCC1CC1	2218727953	STKWNWYZOAEUIJ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](O)CCC2=CCCCC2)CC2(CCC2)C1	2220938011	VIBVWUAFSBRVOR-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CC(=O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222909744	GPGLPQVBDMTDBC-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
C1CC[C@@H](CC[C@@H]2CC[C@H]3CCCC[C@H]3C2)NC1	2222918816	NXCFTZFUKDTKJD-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C)c1ccc(F)c(C2CCCC2)c1	2223272871	BGEKNKJQQKUUDA-LBPRGKRZSA-N	249.373	4.544	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@@H](C)c1ccc(C)cc1	2223967049	BLDLFBDTKJIRDS-DOTOQJQBSA-N	245.410	4.562	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CCC[C@@H]1C[C@@H]1C)N2	2224123346	BVZTVJNSVQUDFF-LZWOXQAQSA-N	243.394	4.548	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)c1cccc2ccoc12	2224150085	CQKFOEBOMTVPQJ-IUODEOHRSA-N	245.366	4.505	0	10	BJAE	
Cc1ccn(-c2ccccc2Oc2ccccc2)c1	2227292439	AUXWMOCLWZMEHG-UHFFFAOYSA-N	249.313	4.578	0	10	BJAE	
CCC(C)(C)NCC[C@@H](C)CCCC(C)C	2244847625	QZZWTEFCJMGIPX-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)[C@@](C)(N)CC[C@H]1CCCCC12CC2	2246619930	IHCMDAPZCCAIBC-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CCCC[C@@H]2C[C@@H]2C)C1	2247095679	DNGHKJSNWHAJIS-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1(O)CCCCCCC1	2247111236	CSZIZFFHHDBDCC-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
Cc1cccc(NCCCCC[C@@H]2C[C@@H]2C)c1	2248866616	QNCKTXHUSDZTTR-LSDHHAIUSA-N	231.383	4.623	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC(C)(C)C(C)C)NCC	2250355807	NAJRJHNZDUGMOC-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(N)C[C@@H](C)[C@@H]1C	2250513005	CPXPVRPHIDLCJW-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(=O)[C@@]12CCC[C@H]1CC2)CC(C)(C)C	2251111822	SLNZPAPBESSSJK-DVOMOZLQSA-N	236.399	4.598	0	10	BJAE	
CC1CC(CC[C@H](N)CCCCCC2CC2)C1	2251759206	LGJAOEWXRUNPMS-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CC=C(C)C)CC[C@H]1CCCCC12CC2	2253800349	AAZFHXRLBCBDSA-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1CCCCC12CC2)NC	2253817448	KTCNLKNUUFFNNV-MEGKRXCUSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)C2(C3CCC3)CC2)C1	2253938703	NIHOWVLHQDJDQY-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)CC12CCC(CC1)C2	2254586358	CPDZIXUYMGPXLW-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc2c1ccn2C[C@H]1CCC12CCC2	2254981693	VRQPMLKKNUGMGE-CQSZACIVSA-N	239.362	4.530	0	10	BJAE	
O[C@]1(CC2=CCCCC2)CCC[C@@H]2CCCC[C@H]21	2255050872	LZXWZXURUNNIQK-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC[C@@H]1CCCC12CC2	2255223033	FQZSQXZKOBHBNT-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc([C@H](N)CCC(C)=C(C)C)cc1	2256299031	ZOZFBSULBZDXDW-QGZVFWFLSA-N	245.410	4.775	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCn1ccc2ccccc21	2257310588	HPOUTEGUWGRKCA-GOEBONIOSA-N	241.378	4.858	0	10	BJAE	
C[C@](N)(C[C@@]12CCCC[C@@H]1CC2)C1CCCCC1	2260644915	DURSRXRYGXSVOY-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc(OC[C@]23CCC[C@H]2CC3)cc1	2260648048	QVMZQHAMHJKDHY-DOTOQJQBSA-N	244.378	4.769	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@]23CCCC[C@@H]2CC3)[C@H](C)C1	2260657542	JJVKKTOQEVXKKF-ZAPJKBGESA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)C[C@]23CCCC[C@H]2CC3)C1	2260669924	JDQUUCRUOPMYFC-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H]1CCNc2ccc(F)cc21	2261336053	AMUHBZVSPVWUHS-JHJVBQTASA-N	247.357	4.551	0	10	BJAE	
C(=Cc1ccccc1)CC[C@@H]1C[C@H]2CC[C@@H]1C2	2298617109	QNNQZLRTKXNSEA-BRWVUGGUSA-N	226.363	4.916	0	10	BJAE	
C[C@H](CC1CC1)C(=O)c1cc2ccccc2s1	2298893140	MVTXDJLEXCZGCL-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@H]1CCC(CC)CC	2300680803	ICIHEJMFGBMALN-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1C[C@H](C)C[C@@H](C)C1	2300683931	OTYRLFJNKBQROF-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC(C)(C)CC[C@@H]1N	2300685438	FLQQTQLWRDEJEI-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCNCC(C)(C)CC=C(C)CCCC(C)C	2300866012	VHRYEKWCFRNXLM-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CN[C@H](C)C[C@H](C)CC=C(C)CCCC(C)C	2300881254	RFOACCJEHXINKD-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CC=CC[C@H](NCC)C1(CC(C)C)CCCC1	2300897797	XIGIQOUBKZXBQB-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(=CCC[C@@H](N)C(C)(C)C)CCCC(C)C	2300901237	HLGNQSAIKGRKLM-OAHLLOKOSA-N	239.447	4.913	0	10	BJAE	
CN[C@H](CCC=C(C)CCCC(C)C)C1CC1	2300902660	XAHTVWRDZRHGPK-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC[C@](N)(CC=C(C)CCCC(C)C)C1CC1	2300927925	ZPYXKSZFDNMWFS-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](N)CC1CCCCCC1	2301134068	UEOLHKQAYYAPCI-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
C[C@@](CN)(CC1CCCCCC1)C1CCCC1	2301180045	NRRGOWNJKRHDNM-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC[C@@](N)(CC[C@@H]1CCC(C)(C)C1)C1CCC1	2304432196	SHXRZXYFGZNKSB-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@H]1c1csc(C2CCC3(CC2)CC3)n1	2307692782	ISCTUZXXXJKTPR-CMPLNLGQSA-N	247.407	4.704	0	10	BJAE	
CCC[C@@H](CC)CC1(CNC)CCCCCC1	2307763381	LMMMVNWTCMQUSS-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CCC(F)(F)CCC1=O	2307801791	QBUVSKGESITACD-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1(C)CCC(C)CC1	2307818867	GFAYGNWAQJNLEP-LVDPKSTMSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CC1(N)C[C@H]2CCCC[C@@H]2C1	2307828552	KBMOSBLTGXTHBL-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@@H](CCC)C(C)C	2307905846	ZWURFQYQPWFIPU-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@]12CCCC[C@@H]1C2	2311164654	ONSQSRQSSWICBN-JYYAWHABSA-N	248.410	4.598	0	10	BJAE	
N[C@H]1CCCC[C@@H]1C[C@@H]1C[C@H]1C1CCCCCC1	2311571965	UWWPFEKGBFWXFR-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCC(=O)Cc1cc(C)ccc1C	2316263450	DURVLHMJUHAWHJ-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC2CC2)CCCC[C@@H]1C	2316488884	CVVKHBACKVQNGI-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@@H]1CCC[C@H]2C[C@H]12	2316542705	SLADLOWMHSPRLW-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCC[C@@H]1C[C@H]1C[C@H]2CCC[C@H]1CC2	2316883715	IZCXUEILIUCZHQ-CAOSSQGBSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@H]1C=CCCCC1	2317906727	JZMGYIKCAZCBJH-DLBZAZTESA-N	247.426	4.731	0	10	BJAE	
CCCOc1ccccc1N[C@@H](C)[C@H](C)C(C)C	2317940726	KRWULDZXZVYFFI-KGLIPLIRSA-N	249.398	4.568	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1C[C@@H]1C1CCC1	2317948968	TWXMOJOUCGHUJE-NVXWUHKLSA-N	246.394	4.662	0	10	BJAE	
CCCCCCc1cc([C@@H](C)NCC)ccc1C	2318370258	TVDWKFPMQCMVHK-OAHLLOKOSA-N	247.426	4.788	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C[C@@H]1CC12CCC2	2318872335	BBXWODKLESYWFX-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(C)c1NCCCC[C@@H]1C[C@@H]1C	2318881171	WVSXGDWEMVGZGC-GOEBONIOSA-N	245.410	4.796	0	10	BJAE	
CN[C@H](CCC[C@H]1C[C@@H]1C)C1=CCCCCCC1	2318929651	JECKNJDPFSBRHI-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCC1CCCC1)CC[C@H]1CC[C@@H]1C1CC1	2319726824	MMLMWWLLVTYDBN-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@H]2CC[C@@H]2C2CC2)C1	2319735727	ZAEIQIBVKQJJHB-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(OCC[C@@H]2CC[C@H]2C2CC2)c1	2319750133	QQGLQJKVVWUVEW-RDJZCZTQSA-N	244.378	4.509	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC(=O)CC1=CCCCC1	2320247547	BXFIJDWUXRVUSY-ZBFHGGJFSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C[C@@H](C)C2CCC2)c1	2320517606	QSNKZMJQAVUOLG-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](CC1CC1)C1CC1	2320696707	NESWCWRHPMMGEX-INIZCTEOSA-N	243.394	4.548	0	10	BJAE	
CCc1cc(F)cc(NC[C@H]2CCCC[C@H]2C)c1	2321089571	PBQDLTWCMCYNEM-TZMCWYRMSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CC[C@@H](CCN[C@@H]2C=CCCC2(C)C)C1	2321607756	IKPOHTQRYUCLBR-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)C2(CC3CC3)CC2)C1	2321632105	DNTJDEPXCVSJSU-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(NC2[C@@H](C)CCC[C@@H]2C)cc1	20553144	JQIWHVTXASUKLG-KBPBESRZSA-N	245.410	4.876	0	10	BJAE	
CCC[C@@H](NC1CCC(C)CC1)c1ccccc1	21812581	ZKIZHYLDXFFNTR-BDVYOWHSSA-N	245.410	4.696	0	10	BJAE	
CC[C@H](Nc1ccc(F)cc1)c1ccc(C)cc1	21817544	JTRYTADCTTVPMZ-INIZCTEOSA-N	243.325	4.697	0	10	BJAE	
CCCC1(CCC)CC(C)(C)C[C@@](C)(N)C1	34398795	WCBGLHDVUJFUDO-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)C2CCCCC2)cc1	36171570	LBLJXYIEDCBTAW-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1cc(C)sc1C	36943951	MSRQZEHDABWGFQ-GFCCVEGCSA-N	238.396	4.764	0	10	BJAE	
CC[C@@H](Nc1cc(Cl)ccc1Cl)C(C)C	37188140	MGNDCMYPBRXYAZ-LLVKDONJSA-N	246.181	4.840	0	10	BJAE	
CC(C)C[C@@H]1CC(=O)c2cc(C(C)(C)C)ccc21	41291255	AUUCICFDTZIVCV-GFCCVEGCSA-N	244.378	4.700	0	10	BJAE	
CC[C@@H](O)c1ccc(-c2cccc(C(C)C)c2)o1	54107393	VYSYBYAIMBGIDC-CQSZACIVSA-N	244.334	4.513	0	10	BJAE	
CCCCCC[C@H](NCC)C1CCCCC1	71085275	JNCNBFLJQCNGTN-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](NC)c1ccc(C)c2ccccc12	79904843	KZWFUEJGWZYAMD-KRWDZBQOSA-N	241.378	4.599	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCCC(C)(C)C1	83783384	CKKOMTCLYHUERP-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCCC(C)(C)CC2)c1	86896619	ORUWNSXYSMANNR-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
Cc1cccc(C)c1-c1ccc(Cl)cc1	90398215	HMSKQKDJYMYTKP-UHFFFAOYSA-N	216.711	4.624	0	10	BJAE	
CC[C@H](Nc1ccccc1OCC(C)C)C(C)C	103972837	FRSWNYHFTAPLBW-AWEZNQCLSA-N	249.398	4.568	0	10	BJAE	
CN[C@@H](C1=CCCC1)C1CCC(C(C)(C)C)CC1	103999761	HGVOYFLSCGEJHC-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
c1cc2cc(N[C@H]3C[C@H]4CC[C@@H]3C4)ccc2s1	109811131	FJGTWOSBDQOBKH-WDMOLILDSA-N	243.375	4.502	0	10	BJAE	
CC[C@H](NC1CC(C)(C)CC(C)(C)C1)C(C)C	124779793	OPRKXJYESUDCNQ-AWEZNQCLSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc2c(ccn2Cc2ccc(C)c(C)c2)c1	129610745	ROCFZOHYKXUAPI-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCc1ccc(COc2cc(C)ccc2C)s1	130400704	YYAMBNRXSOWTBL-UHFFFAOYSA-N	246.375	4.506	0	10	BJAE	
CCCCC[C@](C)(O)c1ccc2ccccc2c1	132855181	QLNCGCNWSUONQZ-KRWDZBQOSA-N	242.362	4.628	0	10	BJAE	
CCCC(CCC)C(=O)c1ccc(CC)s1	132901872	SGGOUQKXXUKBBI-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
F[C@H](c1cccc2c1NCC2)C1CCCCCC1	135506338	IBLJBLJLZIAWQN-HNNXBMFYSA-N	247.357	4.636	0	10	BJAE	
CCCC[C@@H](N[C@H](C)C1CCC1)c1ccccc1	137717697	QWMMLMPFIKCXKD-RHSMWYFYSA-N	245.410	4.696	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C1CCCCCC1	165386439	MXYAULZIUKNTBG-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2cccc(F)c2C)C1	235681766	PWAOSWLQOALEGO-RISCZKNCSA-N	247.357	4.538	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	251193351	SXFZQGUKZGGTMP-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCC2(C)C)CC1	251596609	CWXCXTJLRZTUAR-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@H]2CCC[C@@H](CC)C2)C1	251626079	LUNBSKJURIBGPO-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	253170918	HXVDECLCLIOOOU-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@@H](C)[C@H](C)C1	300689538	HQBQWTRXERMREZ-LVQVYYBASA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1cc2ccccc2o1	302295550	GTVPJKIOVUYKMN-GXTWGEPZSA-N	246.350	4.539	0	10	BJAE	
CC(C)Cc1ccc([C@@H](N)CCC(C)(C)C)cc1	302315572	HAWCNNOKBQHHLW-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1c(C)c(C)cc(C)c1C	302480634	YRCTZJDACILHSM-PIGZYNQJSA-N	247.426	4.746	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1CCCC(F)(F)C1	304163161	CMSWIFOMNYOJAI-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CN[C@H](CCC1CCCC1)C1(C)CCCCC1	305930307	JNZJIRYTNRIIRP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@@H](CCCC(C)(C)C)C1	305951928	UVHAGGBQMHDRGI-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
Cc1cc(Cl)c2scc(C(F)F)c2c1	306918285	ZMUPMPKUVOPCKX-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCCN[C@@H](CC1CCC(C)CC1)c1ccco1	311093506	IQTCHAJVVASBFH-NRXISQOPSA-N	249.398	4.537	0	10	BJAE	
CC(C)CNCC1([C@H]2C=CCCCCC2)CCC1	318562436	VBORBHFCFOPDBU-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CCCNCC1(CC(C)C)CCC(CC)CC1	318844728	ZEBIXOKPUBAFBJ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@H](C)[C@@H](C)CC	319750547	XLGGFLKUEGKCAZ-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCCC)[C@H](C)C(C)C	319773401	FXGKYQDHCMGJST-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)C1=CCCCCCC1	379879279	ANJOIBVHBVAQIZ-CQSZACIVSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCCCC[C@@H](CNC(C)C)C(C)C	383252139	KLWRJELGGPRINY-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](C)[C@H](CCCCCC(C)C)C(C)C	383384802	NBKNVYSULHEWGO-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
C[C@H](NCC1(C)CCCC1)C1CCCCCC1	383670783	OCHFANBJEHCQQB-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)C1(CC)CC1	385742954	BXVCLVDZTIDVFA-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@H](C)c3ccccc32)c1	385759560	UBBAFJPTDWOGLL-GUYCJALGSA-N	237.346	4.655	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCC23CCCC3)[C@@H]1C	392748934	BNUYRNQYTGWEFO-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCOc1c(C)c(C(F)F)cc2ccsc12	396243709	NUYOVWCYFYLYKW-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)CCC2CC2)c(C)c1	398026875	HQSSJEQQVUWLAV-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
C[C@H](CNc1ccc2ccccc2c1)C1CCC1	398671380	SHESHNJESPOCRC-CYBMUJFWSA-N	239.362	4.688	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1ccccc1C	401784253	CNLZDVDLEXVVCB-LSDHHAIUSA-N	231.383	4.623	0	10	BJAE	
C[C@@H](CCC(C)(C)C1CC1)[C@@H](O)c1ccccc1	405981371	ZWJYYPVZSUPTJO-XJKSGUPXSA-N	246.394	4.573	0	10	BJAE	
CC[C@H](C)C[C@@H](N)C1CC(C)(C)CC(C)(C)C1	688347959	ZKULMSKGNYCQQC-GXTWGEPZSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CCC(C)(C)CC	696594816	RPOPLNJSESJACD-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC(C)(C)CC1)c1ccco1	697579548	GCPDCHVNNUPAKX-UONOGXRCSA-N	249.398	4.679	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CC1CCCCC1	697758805	GAEYESLLEJJMEL-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@H](N[C@@H]1C=CCC1)c1ccccc1	698235896	DRHPPKYGYXXQIN-IAGOWNOFSA-N	243.394	4.616	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C1CC(C)(C)C1	701489375	OBPIZLPPOQOLKN-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CNCC)CC1(C)C	702161323	CZZHRCABVGQPTB-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC1(NCCCCC(C)C)CCCCC1	703977310	XHSSOGVMKDETMH-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(N)CCCCC12CCCC2	704471091	BMTWVTRZEXPCNQ-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCCC1CCC(O)([C@@H]2CCCC[C@@H]2C)CC1	704797443	GDDYHGNGAAOEEZ-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(NCC[C@@H]2CC=CCC2)CC1	706868395	LQKHAMUYXXHDOE-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@H](C)CC(C)C	708266142	VLXOQNNNSNBKTQ-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(O)C1CCCCC1	709070784	IBASJQMVVJEINL-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@@H](C)CC(C)C	709272641	LZHXDLGEPUEUNH-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(NCC2CCC(C)(C)CC2)cs1	710760150	QGIIEEYXBNQOQC-UHFFFAOYSA-N	237.412	4.685	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@@H](C)C(C)(C)C	711126743	KUVWLZBATNEMSF-UKRRQHHQSA-N	227.436	4.604	0	10	BJAE	
CCCC(CCC)[C@H](O)CCCC1CCC1	711161300	BKYXOTZLYQKKOT-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCN[C@@H](CC(C)(C)C(C)C)C1(C)CCCC1	713175716	SHQUXVXIGJRHGE-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@@H](C)CC(C)(C)C	713304692	PMBIUMDLKBDJGA-LBPRGKRZSA-N	226.404	4.700	0	10	BJAE	
C=C/C=C/CC[C@@H]1C[C@H](CCC)CC[C@@H]1CNC	713710911	PAMIFNWIWPIOMD-SKPMUFQZSA-N	249.442	4.561	0	10	BJAE	
C=C/C=C/CCC1(CNCC(C)C)CCCCC1	713737810	LKNRHSZJFOSFFA-AATRIKPKSA-N	249.442	4.705	0	10	BJAE	
O=C(CC[C@H]1C[C@H]1C1CC1)CC1CCCCCC1	714899590	YKNNUAYDMHWBTM-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NCC2CC=CC2)CC1	717342849	RBZCHIWSAWFIPS-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC(C)(C)C[C@@H]1O	717540921	OZADWMNSCPCTIY-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1cccc(C)c1F	718528482	RNNUDOXYSADUIH-OAHLLOKOSA-N	249.373	4.531	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@]1(C)CC1(C)C	718609498	CIOMWCPCVGMZQT-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1ccccc1Cl	718695780	XJOBAXWFSZTPCA-CQSZACIVSA-N	238.758	4.510	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1cscc1C(F)F	720336135	JQSDHZQQLPKIQX-JTQLQIEISA-N	247.354	4.512	0	10	BJAE	
CC[C@@H](C)c1ccccc1N[C@H](C)C(C)C	1857847834	BVGBOMIGHYWVIY-CHWSQXEVSA-N	219.372	4.657	0	10	BJAE	
CC=CC[C@@H](NCCC)C(CCC)CCC	1900854511	ODZJRXVOZONBEF-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
Cc1cscc1-c1nc([C@@H]2CC2(C)C)cs1	1901907970	LNXKHKVWVOOVNC-JTQLQIEISA-N	249.404	4.694	0	10	BJAE	
CC1(C)CCC[C@H](c2c(F)ccnc2Cl)C1	1903368587	XGXYDUNCMSJSNL-VIFPVBQESA-N	241.737	4.558	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@@H]1C[C@H]1C(C)(C)C	1910815979	LHGZIBUYDVIIGK-ZENOOKHLSA-N	239.447	4.602	0	10	BJAE	
CNCC1(CCC2CCCC2)CC2(CCCC2)C1	1912568758	TVJBUQZLJQUBPM-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H]1CCCCCCCC[C@@H]1CC	1913395702	MYNJHELZMICOLC-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	1917328476	GJGHUTLQJRFWDK-XJKCOSOUSA-N	243.394	4.585	0	10	BJAE	
CCCCC[C@@](O)(CC)c1cccc(Cl)c1	1919926228	ZDUYDCQEFAXODC-AWEZNQCLSA-N	240.774	4.518	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@H](C)c1ccccc1	1919996267	CGWDAOQFRFJSNW-YQQAZPJKSA-N	248.410	4.758	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C1CC(C(C)C)C1	1921265847	FVJIQXJAWRPRPS-JCYILVPMSA-N	249.442	4.559	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC[C@@H]1CC1(C)C	1921431271	BPSZCSVYSONUNH-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCCCC2)CC[C@H](C)C1	1925797548	FZSDXXIBWVTUFB-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CCCC1(C)CC1	1935921895	SUWHAIIZKYZURS-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(OC2CCC(C)CC2)c(Cl)c1	1936604521	JBHWZOBDLAECSB-UHFFFAOYSA-N	238.758	4.606	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)CC1=CCCCC1	1937161373	HHBKWHDGOZGBFB-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](CC)C[C@](N)(CC)CC1CC1	1939405503	SXRQILLDVJVEBX-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC1(C[C@H](O)CC2=CCCCC2)CCCCC1	1940403617	PDFICQLDLIKYGO-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CC2(C)CCCCC2)[C@@H]1C	1940405978	DVDPZCAIBDCZTN-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCC1CCCCC1)CCC1(C)CC1	1940789837	GVGRHMDIMAYGPB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CC1(C)CCCCC1	1941252009	OAFRWUZAQBCXRF-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CCCCCC1CC1	1941586362	YKYFPUIVWRQRGO-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCC)[C@@]12CCCC[C@H]1CCC2	1944136829	OEKSVORXBMLHCZ-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)C(C)(C)C(C)C	1944670971	GMWYPEBOEGUAOC-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCC[C@H]1CNc1ccc2sccc2c1	1944846102	MNPYFJYUKLLCRU-AAEUAGOBSA-N	245.391	4.749	0	10	BJAE	
CCCC[C@@H](CC)NC1CC(C2CCCC2)C1	1945944009	BQYXBNLQZFWKRS-HWOWSKLDSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC1(O)C[C@H]2CCCCC[C@@H]2C1	1947856619	PIKCWQYKGVAOED-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CNC1CCCCCCCCC1	1947863609	JLQIQIZNNJOUHS-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H]3CCC[C@@H]32)c(C)cc1Cl	1948821691	WPROHANWDVAZKZ-SLEUVZQESA-N	249.785	4.557	0	10	BJAE	
CC(C)=CCC[C@]1(N)CCC[C@@H](C(C)C)CC1	1949024451	LERHFWUBPPZYIV-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@@](O)([C@@H]2CCC(C)(C)C2)CC1	1949451243	HGVVHZKSIRFPFN-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)C(=O)[C@H]1CCC2(CCCC2)C1	1949498589	OOBJETIRGIOJCV-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC(CC(=O)c2sccc2C2CC2)C1	1949735407	YTYPUBQGHHDBJM-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H]2CCC2(C)C)CC1	1950917402	FNDCUCIZFXSCFX-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@@H]1CCC[C@H](C)CC1	1950921695	IBZQFZGTDCLAFP-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C1(CC)CCC1	1951238771	MFVYECZDFBZDPB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC=C[C@H](C)Cc1c(C)cc(OCC)cc1C	1951308528	IIEKNKKSLSXBGX-ZDUSSCGKSA-N	246.394	4.847	0	10	BJAE	
CCCC[C@H](NCCC)c1cc(Cl)cs1	1958190792	JYPXPYVMQQHBSM-NSHDSACASA-N	245.819	4.632	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@@H](C(C)C)C1	1962882991	VKCCVBGKJTYZNV-ARFHVFGLSA-N	237.431	4.536	0	10	BJAE	
CC1(C)CCC[C@@H](CNC[C@@]2(C)C=CCCC2)C1	1966038551	VKGIZBXONVIFBP-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@H](NC1C[C@@H]2CCCCC[C@H]2C1)C1CCCC1	1967709468	YBANTRSFQHTHCP-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC([C@@H](C)N[C@@H]2CC23CCC3)CC1	1970002280	BTIPXNAFUOJDOG-PRLABOORSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)CN1CCCCC(C)(C)C1	1971706558	UGJHTKKYDVOHIC-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCc1csc([C@H]2CCC[C@H](CC)CC2)n1	1976348277	AXZOCIQXMQALSW-RYUDHWBXSA-N	237.412	4.779	0	10	BJAE	
CCC(CC)C(=O)C1(C)CCCCCCC1	1981427129	JGIGFKHLWGCKRP-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](CC)CCC(C)C	1986943528	JRKZYGHOIUMQGD-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@@H](C)Cn1ccc2cccc(Cl)c21	1988295834	QIACIZRBFIOOIU-NSHDSACASA-N	235.758	4.587	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)[C@H](C)CC(C)C	1995254394	RHLJWXTXOZCGML-RRFJBIMHSA-N	228.420	4.636	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)C1CCC(C)CC1	1996551780	GSPPDEYRGHKOJV-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNCC)C[C@@H](C)C1CC1	2000505570	SGGYXXGSALWNMJ-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CNCC)C[C@@H](C)CC(C)C	2000506151	YQEPQDXSDRFEOQ-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)CC1(C)CCC1	2001130080	NXFYNDLPDOJWDC-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCCCC[C@H]1O	2003100162	PJSGJIAGSKJNDJ-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@H]1CC[C@H](CNCC(C)C)CC1	2003109898	ZEBFDEAZIQFERZ-WKILWMFISA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H]1CCCCCCC[C@H]1NCCC	2003113068	ZOFWTFLDCGKLTG-HZPDHXFCSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NC1CCC(C)(CC)CC1	2004340784	DIGPVGRGPRDHHO-YHNBSYBMSA-N	237.431	4.514	0	10	BJAE	
CC(C)=CCCN1CCCC[C@@H]1c1cccs1	2004435478	SAYLGGNFWUQSMA-CQSZACIVSA-N	249.423	4.631	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)C1(C)CCCCCCC1	2004920529	KVIZACZATAQVSQ-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CCCCC12CC2	2005563510	KWCAEVLOQXEJRA-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(CN)CCCCC1(C)C	2005589110	KLXKVFXOOIFVFT-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
CCCCCC[C@@]1(C(=O)O)CCCCC1(C)C	2005589416	MXAKBOAMOZHGDP-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
Cc1c(C[C@@H]2C=CCCCC2)ccc(F)c1F	2007165508	CUGJNVWKCGXCIS-GFCCVEGCSA-N	236.305	4.562	0	10	BJAE	
CCC1CC(CC(=O)[C@@H]2CCCCC2(C)C)C1	2007765532	KBKWEIGRXNGCEA-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](N)C=C1CCCCC1	2007940103	NTWXHQDZWDBDCA-JKSUJKDBSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC2(CCC2)NC1	2008286647	MMPIAWUZLIZEBE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H](O)[C@H](CCCC2CCC2)CC1	2009420238	NWPMXFVOCVBUEW-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@H](NCC)C(C)(C)C1CCC1	2009629104	PYPSSXGSGQWUQS-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](O)(CC)C1=CC[C@@H](C(C)(C)C)CC1	2010723236	UALKJWLITPMGTF-CJNGLKHVSA-N	238.415	4.700	0	10	BJAE	
CC[C@](O)(CCC(C)C)[C@@H]1CCCC(C)(C)C1	2013264591	OBFCTAJRCFRKNA-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@]1(CNC(C)C)CCC1(C)C	2014845645	HCBGCVSVLOMUGZ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(CCCc1cccc(N)c1)C(C)C	2015360389	IRDHSESECJKPMP-UHFFFAOYSA-N	233.399	4.520	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)C2(C(C)(C)C)CCC2)C1	2017132114	ZCEUORUDVVJCNQ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)C2CCCCC2)CCC1	2017147538	FEFMVRVCWLUNSP-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](CNC1CC1)(CC(C)=C(C)C)C(C)C	2017462468	AORVJUDOOMXEFW-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H]1CCCC1(C)C	2017476731	AHPIIDXZYQQECT-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)[C@]1(O)CCCC2(CCCCC2)C1	2017484486	MQKPUZFARRSYCT-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)NC[C@H]1CC[C@H](CC)CC1	2017663903	ZWYYFUZJKVARND-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CCCCCC[C@@H]2N)CC1	2017731845	WFEFFEPCVSNUDG-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cccc(C2CC2)c1	2017746050	HSBYMNIZAMNORO-GFCCVEGCSA-N	231.383	4.801	0	10	BJAE	
CCCCC[C@](O)(CC)C1C[C@H](C)C[C@@H](C)C1	2018133003	ZAJODEIXUYKFJQ-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@]12CCCC[C@@H]1C2	2018631731	DMBBQXWUSRYNCH-SQWLQELKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)C1CCCCC1	2018996848	WPGHWCHPDRXUQH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](CN(C)CCCC(C)(C)C)C1	2019325544	LYCAKKQYAOEFSC-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCCN(CC1C[C@H](C)C[C@@H](C)C1)C(C)(C)C	2019408369	DRCMDGLZUSPQRG-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1csc2ccccc12	2022411638	JQHBOSBBXZJUSR-JQWIXIFHSA-N	244.359	4.520	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H](CCC)C(C)C	2022673023	ORSRZRDAUAFVQF-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCCCCC(C)(F)F)C(C)C	2023277540	ACOXTUFNDHWIHK-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC(F)(F)CCCC(=O)CCC(C)(C)C1CC1	2023308185	WZNUYGPCFWHZFZ-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
C[C@H](C[C@@H]1CC(C)(C)CC[C@H]1O)CC(C)(C)C	2024145165	CVRVFWIKSADUNG-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1ccc(C2(C)CC2)cc1	2028605593	OXQQHKJIAGPLPD-CYBMUJFWSA-N	244.378	4.603	0	10	BJAE	
CC(C)CC[C@](C)(N)c1ccc(C2CCC2)cc1	2028612082	NIPYFSBHPNTYSW-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)c1ccc(C(C)C)cc1	2029822908	FXNUFTAMJBAADN-WMLDXEAASA-N	247.426	4.882	0	10	BJAE	
CN[C@H](c1ccc(C)c(C)c1)[C@@H](C)CCC(C)C	2029826228	SKSWMVNDMKBLNQ-YOEHRIQHSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)[C@@H]1CC12CCC2	2032130772	COUDGFRDAHHBBY-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@H]2CCC(C)(C)C2)c1	2033389089	UKNKKOJSQHSUOX-JKSUJKDBSA-N	246.394	4.670	0	10	BJAE	
CN[C@@H](C1=CCCC1)C1CC(C)(C)CC(C)(C)C1	2033810619	LIESUUVOQYOHEN-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@H](NC1CCCCCC1)C2	2036667603	SQIHOMIUEYVMHO-DJIMGWMZSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@]2(CNC(C)(C)C)CC=CCC2)C1	2037705336	UTVJQWJVDNZWJS-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1CCC2(CC1)CC(N)([C@@H]1CCCC[C@H]1C)C2	2038939838	HAUGTSUETYPNOX-FVROTGDOSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CCC[C@H](C)CC2)cc1	2039374546	LNLKKGCTLFRTMH-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
C[C@@H](NCCC1=CCCCC1)C1(C)CCCCC1	2039862455	OADSBAWLVCUYIO-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)c2ccccc2C)CC1	2041374086	YFJKTSRJNHDCTA-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
C1CCC[C@H]2[C@@H](NCCCC3CCC3)C[C@H]2CC1	2047446702	MAOBOEISZVHJTO-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@H]1CN[C@@H]1CCCCC12CCCCC2	2047586099	HDQYLVSKYOMWRN-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CCC(=O)C[C@@H]1CCC12CCC2)C1CC1	2047935584	JYALPAQFPKUOJD-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCC(=O)c1cccc([C@@H]2[C@H]3CCCCC[C@H]32)c1	2049171732	AKCHKXAWGSUWLS-QLPKVWCKSA-N	242.362	4.573	0	10	BJAE	
C[C@H](NC[C@H]1C=CCCCC1)[C@H]1CCC[C@@H](C)C1	2049534571	YJYKXFLFTINYRM-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2CCCC3(CC3)C2)CCCC1	2049860499	VHZPHGPXTXOZQW-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCC1CCC1)CC1CCC2(CC1)CC2	2049867773	XFKVUWCRZJAEDZ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@H](O)CCCC(C)(C)C1CC1	2050440174	FNUSMGDMOIYCPJ-MRXNPFEDSA-N	246.394	4.635	0	10	BJAE	
CC[C@@H](C)[C@@H](C(=O)CC=C(C)C)c1ccccc1	2051381645	VXHXOWFDFPQGKM-RHSMWYFYSA-N	244.378	4.742	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2CC23CCCC3)CC1	2051617253	OHQNOMVIJZVUFZ-UQPPLGOBSA-N	249.442	4.645	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCCCC23CC3)CC1	2053333321	VCLXNOMBXXVYFF-HWOWSKLDSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](C)[C@@]1(CNC2CC2)CCCCC12CCC2	2053352993	YKECIKYTGZJDDB-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCNC[C@H]2CCCCC23CC3)CC1	2053434399	RHCGLRXXZFNPJF-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC(C)NC[C@@]1(C2CC=CC2)CCCCC1(C)C	2053692652	YDLFGWJWSUVXLJ-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1CC(CN[C@@H](C)CC2=CCCCC2)C1	2056726155	SYXSPAUFQOAKDQ-OOHWJJMZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@H]1CCC[C@@H]1C	2056882267	IODCVOXRZCHMOY-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C1(C2CC2)CCCC1	2057604149	OGSSXOSXXCYXJQ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N)(C2=CCC(C)(C)CC2)C1	2061120146	VHGPWTSVQJIVRZ-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](C1=CCC(C)(C)CC1)C1(C)CC(C)(C)C1	2061147830	QLRMHBAAJZSZIW-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC1CC(=C2CCC2)C1	2061701889	NWZCNLDFKDHYOV-SJORKVTESA-N	247.426	4.565	0	10	BJAE	
CCC(CC)(CC)c1nc2c([nH]1)[C@H](C)CC[C@H]2C	2061879582	VBHOUXLQJUHUJN-VXGBXAGGSA-N	248.414	4.878	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063424527	VKTQYRKJLYSJNJ-UFWWBNMZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](NC2CC3(C2)CC3(C)C)CC1	2064108934	HMERCYACOJEFFM-TUBUQKNSSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C1CCCC1)C1CC1	2070406375	AKFVGZYYBTUXBK-PBHICJAKSA-N	249.442	4.680	0	10	BJAE	
NC1(C[C@@H]2CC[C@H]3C[C@@H]32)CCCCCCCCC1	2071052732	PWTDGHZMBXQXMF-JYJNAYRXSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1C)C[C@@H]1C=CCCCC1	2071503753	JMFQZLSJVRDSOM-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(NC[C@@H]2CCCC3(CC3)C2)CCC1	2071890038	KQBULRUURCOLQG-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(NC[C@H]2CC[C@H](C)CC2)cc1C	2072802224	VYEVPZOJTWJTQK-CTYIDZIISA-N	245.410	4.796	0	10	BJAE	
CCCCC[C@H](CC)Nc1cccc(COC)c1	2073347463	RPLNIWOAKXEPPZ-HNNXBMFYSA-N	249.398	4.604	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@]12CCCC[C@@H]1C2	2074024682	JQBVFWCIJUPOLZ-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(CC)CN(C)Cc1cc(C)ccc1C	2074921915	KNWSGDQPDRPYSS-UHFFFAOYSA-N	247.426	4.562	0	10	BJAE	
CN([C@H]1CCC2(CCCC2)C1)[C@H]1C=CCCCC1	2075400728	GEEVYXBFTWAYID-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
CC[C@](N)(CC1CC1)C[C@H]1C[C@@H]1C1CCCCC1	2079839657	VUBLSMDDBLGODF-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C(=O)C[C@H]2C[C@@H]2C2CCCC2)CCC1	2079865229	OCJXNLSSXRSDIM-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@@H](C)C[C@H](C)CC	2081209804	URPXOSBFHYVSNO-ILXRZTDVSA-N	247.426	4.724	0	10	BJAE	
CN[C@H](CC=C(C)C)C[C@H]1C[C@H]1C1CCCCC1	2081781138	SCMNOYOZGAXKLO-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
C1CCC(CC[C@H]2CCCNC23CCCC3)CC1	2083813520	COXSKAZIHHNYII-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC(C)[C@H]1CC=C([C@]2(N)CC(C)(C)C2(C)C)CC1	2084335726	MUMWMUDBMXOMFI-SUMWQHHRSA-N	249.442	4.523	0	10	BJAE	
c1ccc2c(c1)CC[C@H](c1ccc(C3CC3)cc1)N2	2089009597	IUVPPIKPMZQTHW-GOSISDBHSA-N	249.357	4.663	0	10	BJAE	
Cc1cc(C)c(C/C=C/c2ccccc2)s1	2210662739	SNRIJJACWKQGRI-RMKNXTFCSA-N	228.360	4.621	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)CC(C)(C)CC	2212598193	TZZLFXONFBRUOL-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1C[C@H](CC(C)(C)C)C1	2213118991	ODBJIALFFPHFDV-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCC1CC(C(=O)CCCCCCC2CC2)C1	2213577663	DRLVAGNOFNIMGW-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](C)NCC1(C)CC2(CCC2)C1	2215317563	GBMOFFQGOBTZDX-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCC[C@H](C(C)(C)C)C1	2216255898	FLKPCGNXHSVCHW-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CNC1CCC1)C[C@@H](C)CC(C)(C)C	2217152050	AWHWHYYPBLZDJD-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CC1(CN[C@H](C)CC)CC(C)C1	2217154213	RRXXOLCDXODAFN-JWMHWRSXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NCC1(CC(C)C)CCCCCC1	2217155394	BXEFWLVBKKUIHM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CCC[C@@H]2C[C@H]21	2217277476	PPWVNEWNVCORDV-UXIGCNINSA-N	249.785	4.503	0	10	BJAE	
CN(CCCCCCC1CC1)c1cccc(F)c1	2218732332	PBGOPMYEFVFOQF-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
C[C@@H](CCC=Cc1ccccc1)CNC(C)(C)C	2219086276	CHHRYZSGWLVMOF-HNNXBMFYSA-N	245.410	4.504	0	10	BJAE	
CC(C)c1ccc(C(=O)CCCCC2CC2)cc1	2220042528	UMKISGCRNKSHMZ-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2220631275	OYVUZZQCFAJRNB-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](C)Oc1ccccc1C(=O)CC	2220721300	ISEQGRLUVLZMGY-ZDUSSCGKSA-N	248.366	4.627	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@]1(C)CC=C(C)CC1	2221631145	MAJBCDUMKRXEQF-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1=C[C@H]2CC[C@H]1C2)C(C)(C)CCC	2222293187	PIZFYANYWGBXCQ-DZKIICNBSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)C(=O)c1ccc(Cl)cc1CC	2243665594	SLXWZPPHZOYVNF-SNVBAGLBSA-N	238.758	4.521	0	10	BJAE	
CCC(CC)(CC)[C@@H](CC1(C)CC(C)C1)NC	2246541191	WXUSAGWHQQCTTJ-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)CC[C@@H]1CCC[C@@H](C)C1	2246732763	NPSGIQZXFNLCPA-PMPSAXMXSA-N	239.447	4.891	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cc2ccccc2s1	2246857646	QDSHPERLOXWULC-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNC(C)(C)CC(C)(C)C	2247119957	BOZACFJNDRJRSX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C(=O)CC[C@H]1CCC[C@@H](C)C1	2250374180	WTNBVZZMHBMKER-KFWWJZLASA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC[C@@H]1CCC[C@@H](C)C1	2250389713	LQUSECMYQPHIRN-UGUYLWEFSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)[C@@](C)(N)CC1CC(CC(C)(C)C)C1	2251490544	BNNIBSCFMHOVSQ-WOICTCIZSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@H](N)CC(C)(C)C)C1	2251497493	IJONTDADQANGGD-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC(=O)C1CC(CC(C)(C)C)C1	2251536740	TWRIDTWSHASHHN-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C1(C(C)C)CC1	2255053043	QDMBUHUESFODFP-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(=CCCCC[C@H]1C[C@@H]1C)c1cccc(N)c1	2257240919	MEPMTFKRHRBPDR-GJZGRUSLSA-N	243.394	4.889	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C1(CC2CC2)CC1	2257244884	GAJYHLYRFSZQMR-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN1CCC12CCCCC2	2257309093	YBJFUFJTQINHBE-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNCC1CCC=CCC1	2257360474	HAWYNAMNULDQCB-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@H](Nc1cccc(C(C)(C)C)c1)C1CC=CC1	2257959810	VQRZHXLNZONMTB-ZDUSSCGKSA-N	243.394	4.751	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](CCC)c1ccccc1	2259461711	AWYVYVAXVWEGOJ-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
CCC[C@H](CC)CN[C@H](C)c1ccc(CC)cc1	2259466066	YLPONYLFCWVBPE-ZBFHGGJFSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@]12CCC[C@@H]1CC2	2260501261	OUAGCPGTBBLGCQ-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCN(C[C@]12CCCC[C@H]1CC2)C1CCCC1	2260569131	MFNXBJHYMTYNNB-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
C[C@H](NC[C@]12CCCC[C@H]1CC2)C1(C)CCCC1	2260602964	LPPAUSIWYTXJST-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(NC[C@]23CCCC[C@H]2CC3)ccc1F	2260619684	KBWLFADFPFJWSM-XJKSGUPXSA-N	247.357	4.516	0	10	BJAE	
CC1CC(CC[C@@H](N)CC2(C)CC3(CCC3)C2)C1	2261498173	UPXRCHZCESOEHN-YMAMQOFZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@H](C)CC1CC1	2298850616	IPZRBKJYLYHUSQ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN1CCC[C@](C)(CC)CC1	2300677039	VTLDZDIHSSGEIU-INIZCTEOSA-N	239.447	4.715	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CCC[C@@H](CC)C1	2300678529	LGAOFFMMMFZCRZ-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@]1(CN)CCC[C@H](C)CC1	2300696660	GLXVICJDNLRTBE-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
CCCCCC(=O)c1cc(F)ccc1C(F)F	2300825211	WDUDGLBQGGVPHA-UHFFFAOYSA-N	244.256	4.526	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CC1CC(CC)C1	2300868903	CXMZNQNRSTWUSZ-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H]1CCNc2ccccc21	2301930369	HNZYEUWAWLFDJA-BFHYXJOUSA-N	231.383	4.514	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@@H]1CC(C)(C)[C@H]1C	2302169179	JXKOCJBWQCLTCK-BFHYXJOUSA-N	238.415	4.700	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)CCCC1=CCCCC1	2302355298	AELIPTKZFGFHQX-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)CCCCC2CC2)C1	2302874406	WDVPEBXNQPTUKC-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)C(=O)[C@@H](CC1CC1)C1CC1	2303857835	ILLFHJRHXMBZIT-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC[C@H]1CCC(C)(C)C1	2304419649	CWFGTOMADDQSBC-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CN(CC[C@@H]1CCC(C)(C)C1)CCC(C)(C)C	2304437574	YOTMBGJQXAOZMB-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@@H]2C)c1F	2307559665	RIIOKGPAHGRDNK-WCQYABFASA-N	235.346	4.550	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cc(C)ccc1F	2307749737	NGKJGMAKGWGWFP-LBPRGKRZSA-N	236.330	4.533	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](NC)c1ccccc1	2307895186	PGHBWYZEUKNKMK-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@H]2CC[C@@H]3C[C@@H]3C2)cc1	2309130233	OHMDXJBSFSNTSO-CRNXPOROSA-N	244.378	4.768	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311611239	QNFSKLJUFVJBFS-YHUYYLMFSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@@H](C)CC1CCC1	2313673277	PVMWLVCPMBDREF-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
O=C(CC1CCCCCC1)C1(C2CC2)CCCC1	2316880412	JEWDQVSGZJWXMH-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@@H]1CCCC12CC2	2316885763	NVBUADBCJKPITO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@H](NCCCC2=CCCCC2)C1	2318530739	DOILHUMMCNYMAT-INMHGKMJSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1NCCCC1=CCCCC1	2318552250	WRNLLYIUMNCWTE-UHFFFAOYSA-N	243.394	4.996	0	10	BJAE	
CN[C@@H]1CC(C)(C)C[C@H]1CCCC1=CCCCC1	2318573545	TUYYRJLPOSCBQP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CN(C)CCCC1=CCCCC1	2318581216	UIDBISHYULAARV-NVXWUHKLSA-N	249.442	4.635	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1CC[C@H]1C[C@H]2CCC[C@H](C2)C1	2318801655	WCSNUUNMGXXFCL-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC[C@H]3C[C@H]32)c1	2319251830	HYTAOWDOSZNDAE-USXIJHARSA-N	243.394	4.801	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@H](N)CC1=CCCCC1	2320241355	TXHSXHGHLHDJHB-HRCADAONSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CC2=C[C@H](N)CC(C)(C)C2)CC1	2320387600	IIHKTKKSZMPIMS-HOCLYGCPSA-N	247.426	4.587	0	10	BJAE	
CCC[C@]1([C@@H](CC2CC2)C2CC2)CCCCCN1	2320779857	RZXAFDGSVJRBPQ-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CCc1cc(F)cc(NCC2CCCCCC2)c1	2321091507	NSSFNTLWYGANFB-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
CC(=CC[C@@H]1CCC(C)(C)C1)C1CCC(N)CC1	2321635079	XRWGKHSREXNZDK-QQFBHYJXSA-N	249.442	4.667	0	10	BJAE	
Cc1ccccc1NC1CCCCCCC1	20548015	QXAAGBUSVQQXEJ-UHFFFAOYSA-N	217.356	4.520	0	10	BJAE	
Cc1ccc(NC2CCCCCCC2)cc1	21514518	JVELOXYHEJMAPQ-UHFFFAOYSA-N	217.356	4.520	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)c1ccc(C)o1	36960123	ZIGBLTLTZNBUKN-OCCSQVGLSA-N	237.387	4.598	0	10	BJAE	
CCSc1ccc(Sc2ccccc2)cc1	39042815	HSBJAIPBZRSCRE-UHFFFAOYSA-N	246.400	4.950	0	10	BJAE	
CC[C@@H](C)c1ccccc1Oc1cccc(F)n1	40711436	PRLQCJBUYFVVAU-LLVKDONJSA-N	245.297	4.527	0	10	BJAE	
CC(=O)c1ccccc1S[C@@H]1CCC[C@@H](C)C1	54691642	QUZSXZDKVZWRNT-DGCLKSJQSA-N	248.391	4.560	0	10	BJAE	
CC[C@@H](C)c1ccccc1NC(=O)C(C)(C)CC	59014192	GMXOQYHMQLBQIJ-GFCCVEGCSA-N	247.382	4.575	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H](C)CCCC(C)C)C1	71106968	GIBRYJTYSJDRHG-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(F)c([C@H](C)c2ccccc2)c1Cl	75841659	KIALOZZCDCOFJU-LLVKDONJSA-N	248.728	4.939	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCC[C@H](C3CC3)C2)c1	81626719	LGGUUKPYRCYFRP-UONOGXRCSA-N	247.357	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](Nc2ccc(O)cc2)CC1	86943105	CVFYDBADTIVAGU-KGLIPLIRSA-N	247.382	4.553	0	10	BJAE	
CC(C)CC[C@]1(N)CCC[C@@H](C(C)(C)C)CC1	86955936	FZBKVYNMNDEHIR-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)[C@H]1c2cocc2[C@@H]1C(C)(C)C	104832883	VEBUVGHKNICLNH-RYUDHWBXSA-N	206.329	4.553	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)c1ccc(C(C)C)cc1	109718143	NFFLYNYGOHLZOB-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
CCC[C@@H](O)c1ccc(C(C)C)cc1C(C)C	109787947	ZIUQBQJHQHNVAS-MRXNPFEDSA-N	234.383	4.767	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)CCC(C)C)c(C)c1	109898972	OUZXMNILPXAZSV-HNNXBMFYSA-N	233.399	4.848	0	10	BJAE	
CCCCCC(=O)c1c(CC)oc2ccccc12	110175502	SHJRBIATYSBSOQ-UHFFFAOYSA-N	244.334	4.758	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)c1csc(C)c1	129449572	ZGZSNYARVJBWTQ-BXUZGUMPSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H]1CNCCC12CCC1(CCCC1)CC2	130511790	LIEJXHUETAEKFU-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C1=CCCCC1	161960245	UOPZARGYQKEHJQ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)c1cccc(C)c1	203416030	XFPDEKMOCMVXSB-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1[C@]1(C)CCS1	211392761	BPKKFGUYEOGHAZ-HNNXBMFYSA-N	234.408	4.645	0	10	BJAE	
CCCC[C@@H]1[C@@H](CCCC)C1(F)Cl	213072629	VLAXHOFOBNXSHN-NXEZZACHSA-N	206.732	4.517	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCCC[C@@H]1C(C)C	214449294	STQFDCLQKPHSTH-CABCVRRESA-N	249.373	4.761	0	10	BJAE	
CC[C@@H](N[C@H]1CCC[C@@H](C)C1)c1ccc(C)cc1	216328190	DHANXGYPWPGRLF-HYVNUMGLSA-N	245.410	4.614	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@@H](CC)[C@@H]1C	225192445	AZCBTGGQQYPSNW-CAOSSQGBSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H](CC)c2ccc(C)cc2)C1	227193078	QQWMZRNKAGKQPB-DJIMGWMZSA-N	245.410	4.614	0	10	BJAE	
CCC1(C(=O)c2c(C)cc(C)cc2F)CCCC1	232907977	FPTYJSGCXKEUHT-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCCc1ccc(N[C@@H](CC)CCC)cc1	233348709	IEJQXPQXHCMTNL-AWEZNQCLSA-N	219.372	4.630	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](CC)c1cccs1	251951835	UNYALOFRIBLQFK-RWMBFGLXSA-N	239.428	4.614	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@H]1CCCC1(C)C	300286838	WDGVRARCTSTIHP-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NC[C@@H](C)CC(C)C)c(Cl)c1	300954218	QCCJVZDDOFOHCC-LBPRGKRZSA-N	239.790	4.743	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1n1ccc2ccc(F)cc21	301865286	QXHOOAYCGCFTRW-IUODEOHRSA-N	245.341	4.922	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CCC2CCCC2)C1	304126601	MQBXPUAAUUETQJ-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(C)c([C@H](O)C[C@H](C)CC(C)C)cc1C	305970749	PUNNOLHJUBGSMJ-SJKOYZFVSA-N	248.410	4.718	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1csc2ccccc12	305978453	HQRAEZPEWDTOEM-IAQYHMDHSA-N	248.391	4.761	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CCCCC[C@H]1C	306054062	QIJCRWHRQKGQAV-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
CCc1cc2ccc(Cl)c(CC)c2s1	307290568	IUSGXVNQDHLFCT-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](NCC)C1=CCCC1	308071902	JAERPJSQIMOMLJ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC([C@@H](N)[C@H](CC)CC(C)C)CC1	308106625	WFQYSXDPXNAQBM-KNIAUWFNSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CC1CCCCC1)C(C)(C)C(C)(C)C	310574506	PDGHGOSTUSDPQL-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCNCC1([C@H](C)CC(C)C)CCCCCC1	317271762	IRIUUEPFTZZWSP-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC(C)C)CC[C@H](C)C1	318017492	FNKNYDODIFXFKQ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)[C@@H](C)CC)C(C)(C)C	319418703	BFOAVPHPUXFVEX-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](N[C@@H](C)c1ccc(C)cc1)C1CCC1	322398754	RCIMVFMDLBZPQJ-YOEHRIQHSA-N	245.410	4.614	0	10	BJAE	
C1=C(CNc2ccc3ccccc3c2)CCCC1	379882873	VUIVXTBTWUZVRB-UHFFFAOYSA-N	237.346	4.752	0	10	BJAE	
Cc1ccccc1[C@H](O)C[C@@H](C)C1CCCCC1	380909145	SZRIOZVYCYQYEB-RHSMWYFYSA-N	246.394	4.635	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)C1CCCC1	382816211	CKDZKHWLDVBLJV-ZACQAIPSSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](c1ccccc1CCC)C(C)(C)C	384683391	UXGBQTPSEPSKHA-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)c2ccc(C)cc2C)CC1	385474526	DDHJBPQHWPAROO-ZOBUZTSGSA-N	246.394	4.553	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H]2CC23CCCCC3)C1	387095867	DVKZUFGKGXFRAO-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCC1CCC([C@](O)(CC)C2CCCC2)CC1	387583023	QIVFMWTXLAOTEF-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@H]1CC(C)C	387663903	IEHRSAJCPUOVQA-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
Nc1ccc2c(c1)CC[C@@H]2CCC1CCCCC1	393980678	AFOKKJMSSPSHAF-AWEZNQCLSA-N	243.394	4.659	0	10	BJAE	
CCC[C@H](C)/C=C(/CNCC)C1CCCCC1	394082099	RFTJMWAVBOPVTN-QXPQOBGOSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(F)c(NCC2(C)CCCCC2)c1	394551841	HWYQLLQBONMERI-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1ccccc1Cl	395156718	HQHJCQFARDYJNT-CYBMUJFWSA-N	240.774	4.590	0	10	BJAE	
Cc1cscc1N[C@@H]1CCC12CCCCC2	395756477	HGLSLBWPYPNSCK-CYBMUJFWSA-N	235.396	4.581	0	10	BJAE	
CCc1cc2c(C(F)F)cc(C)cc2s1	396230118	YFBUZSXXJPWWLD-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CC[C@H](NCC(C)(C)C1=CCCC1)[C@@H]1CC1(C)C	397600761	ACHVNLAPFQQQOJ-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](Nc1cccc(Cl)c1)[C@@H]1CC1(C)C	397759764	DUBLPYKKMKMCHY-QWHCGFSZSA-N	237.774	4.577	0	10	BJAE	
CCC[C@H](Nc1cc(C)cc(F)c1)[C@H]1CC1(C)C	397771900	MZMYNXANSDLOMN-CABCVRRESA-N	249.373	4.761	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@H]1CCCC12CCCCC2	398097456	GAIXCJRMJRZSKJ-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCC1CCC(C(=O)CC(C2CC2)C2CC2)CC1	400793870	CWGUEGXXPBJQSE-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1(CNc2ccccc2-c2cccs2)CC1	687305900	MQHYOTZTTZBRFL-UHFFFAOYSA-N	243.375	4.627	0	10	BJAE	
CN[C@H](CCC(C)C)c1cccc(C(C)C)c1	688921757	QYERFRSWLZBATP-MRXNPFEDSA-N	233.399	4.507	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1CC2CCC1CC2	689720140	SISFBCSWKRTQTL-YJNKEBTESA-N	249.442	4.514	0	10	BJAE	
c1cc(C2CCC2)ccc1NCCC1CCCC1	690072266	IFIFBXGIZBENNC-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1cscc1C	691037482	IWMBVYAONACQSD-CHWSQXEVSA-N	237.412	4.827	0	10	BJAE	
CCc1cccc(N[C@H]2CCCCC[C@@H]2C)c1	691070094	HTCBLNRUBVIWPT-BBRMVZONSA-N	231.383	4.630	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1ccc(C)cc1	691143838	ZNENGARQZUVPPA-GOEBONIOSA-N	231.383	4.766	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@H]2C2CC2)cc1F	696104663	LZEUXOSMVDMGLR-GOEBONIOSA-N	247.357	4.515	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CC[C@H]1C2	697771166	IIVCULOTYVZEHI-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCC=C(C)C	697848703	AMGPKVSWVVBUPY-AWEZNQCLSA-N	224.388	4.764	0	10	BJAE	
CCCCCC[C@H](O)[C@@]1(C)CC[C@H](C)C1(C)C	699088715	IVGUHIWOHVACTE-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CCC1CC=CC1)C1CCCCC1	700946603	KDMMXDHATXGDPA-CYBMUJFWSA-N	206.373	4.949	0	10	BJAE	
CCC(C)(CC)C(=O)[C@]1(C)CC[C@H](C)C1(C)C	701389926	QLKZVPRUVGTZPY-LRDDRELGSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H]1[C@@H]2CCCCCC[C@@H]2C12CCCCC2	701849477	MGPLJJNVEGWMSH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](NC[C@@]1(C)C[C@@H]1C)c1ccccc1	704220761	CSPXEKNEJVHUOT-BHYGNILZSA-N	245.410	4.554	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1cccc(F)c1C	704680071	DJOPOURTGDWSAH-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCCc1ccccc1[C@@H](O)[C@H](C)CC(C)(C)C	704750208	FVMFFDMFHONWNI-CJNGLKHVSA-N	248.410	4.745	0	10	BJAE	
CCOc1cc(NCCCCC(C)C)ccc1C	707379671	SJNRUHYQGIJERC-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CCC[C@H](N[C@H](C)C(C)(C)CC)c1ccccc1	710033969	GPUGWGCWVCAWCV-ZBFHGGJFSA-N	247.426	4.942	0	10	BJAE	
C[C@@H](CC1CCC1)NCC1(C)CCCCCC1	710263686	SGMYGROGWBCULC-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC(C)(C)CC)NC	713136613	UNBIFZGNECVZMU-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](NC1CCC=CCC1)c1ccccc1	718039419	IEGKVSNKJFJVIJ-QGZVFWFLSA-N	243.394	4.616	0	10	BJAE	
CC(C)NC[C@@]1(C2CCCC2)CCC=CCCC1	719073796	CIZHYUCORXDJLV-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C[C@@]2(N)CCCCCC2(C)C)C1	723568818	QRBALDXRSFZTBB-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCNCc1ccccc1C(C)C	1308485492	FEEBCEHORKJNMX-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H](C)S[C@H](C)c1ccc(Cl)cc1	1559366047	HGBDMNAQQDXRTP-NXEZZACHSA-N	228.788	4.933	0	10	BJAE	
CCC[C@@H](N[C@@H](C)CC(C)(C)C)C(C)(C)C	1560838684	FXQPSMFSPXNLOW-QWHCGFSZSA-N	227.436	4.616	0	10	BJAE	
Cc1ccc(CSCC(C)(C)C)cc1C	1656549512	DDHFFQRUXHXMPV-UHFFFAOYSA-N	222.397	4.583	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CCCC(C)(C)C1	1900882534	LKBQXWDEUKVLBH-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906536890	FSMRLULCFAKKCI-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](NCC)[C@H](C)C1CCCCC1	1924103018	ACLWBRYCYCADMG-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CNC[C@@](C)(CCCC(C)C)C1CCCCC1	1924107662	NJVAQUOYEBJOQF-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc(CC[C@H]2C=CCCCC2)c1	1925813900	FMULDLVEFNRPJY-HNNXBMFYSA-N	214.352	4.674	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC[C@H]1C=CCCCC1	1925877512	QOWXQCCXMLEUCC-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)C[C@H]1C=CCCCC1	1925901602	MLLAGQIPGVKCPE-UONOGXRCSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(C)CC(=O)CC1CCC=CCC1	1936551791	PSXKYVWKZFFBAS-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](O)CC1(C)CCCCC1	1940409867	ZIGBDDRZWCFORA-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)CCC[C@H]1CC1(C)C	1940880380	ILEQTMHVRIASLY-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc2c(ccn2CCCC2(C)CC2)c1	1940881363	DWXHFOUENMTLTR-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CCC[C@@H]2CC2(C)C)C1	1940884493	YGYGONHIEMQSDJ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@]1(CO)CC=CC[C@@H]1C	1940948954	SNSOVWGAWHPPPQ-HOTGVXAUSA-N	238.415	4.558	0	10	BJAE	
C[C@@H](CC1CCCC1)NCCCCCC1CC1	1941591958	PMZITEMEFUTDTJ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](N)(CCCCCC1CC1)[C@@H]1CC1(C)C	1941596655	NCSISXZDRAYPQR-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCC1(CNC(C)C)CC(C)(C)C1	1941988252	QHRBIWLDAGQWPX-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(C(=O)c2sccc2C2CC2)C1	1942504039	QWDCJZZSAPFJFP-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCC[C@](O)([C@@H](C)CCC(C)C)[C@@H]1CC1(C)C	1942655122	GLRURQNVRNPZKE-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](NC)[C@H](C)CCC(C)C	1942664815	ULRBJZSUBOVILM-OAGGEKHMSA-N	241.463	4.719	0	10	BJAE	
CCCCCC[C@@]1(N)CC(C)(C)CC2(CC2)C1	1943082070	JGTXBZVIVBMVCH-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@@H]1CCC[C@@H]1C	1944842920	NVKJUWKIDZJIPP-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CC[C@H]2CCCC[C@H]21	1946367635	RKSSRTBGXAPCTF-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1N[C@H]1CCC[C@H]1CCC	1947464372	QEQUKNLNZDUNQZ-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CCC1CCCCC1	1948332128	KCQVKEPTINARGM-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H]1c2ccccc2NC[C@H]1C	1949108949	GXYJFDQZKAFDOS-KGLIPLIRSA-N	231.383	4.802	0	10	BJAE	
CN[C@@H](CCC1(C)CCCC1)CC1CCCC1	1949863743	GIFFDVMTANTUAH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(OCC[C@H]2CCC[C@@H](C)C2)c1	1968270726	NOSOKZBYMDCVRT-UKRRQHHQSA-N	232.367	4.590	0	10	BJAE	
CCCC[C@@H](CC)CN(CC)Cc1ccccc1	1968318404	IFINQZBGLUXKTR-MRXNPFEDSA-N	247.426	4.725	0	10	BJAE	
CC1(CNc2ccc(CCF)cc2)CCCCC1	1970094074	YIBRBJWTCWNWGY-UHFFFAOYSA-N	249.373	4.581	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CC[C@H]2CCC[C@@H]2C1	1970664642	LASRDKPMVPYBQG-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H]1CCCCCCC[C@H]1N	1980352435	VAIWILHGXJOOPG-LSDHHAIUSA-N	225.420	4.645	0	10	BJAE	
CC=CCCCC(=O)c1ccc(C)cc1Cl	1984581649	WGZDLSLECKWSCZ-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCCN[C@H](CCC)[C@H](CC)CCC(C)C	1986943527	JRKZYGHOIUMQGD-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CCN[C@@H](C)CCC=C(C)C	1988795246	QZJYUZDKOUEVJH-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H]1CCCC[C@H]1C	1990091349	MOXLQQSHRVHDGD-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1C[C@H]1CCC	1993071612	GKEAHLLUEFQROE-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccc(Cl)c(C)c1	1993201448	VIHFVPAEIDCYBS-YGRLFVJLSA-N	240.774	4.508	0	10	BJAE	
CCCCC[C@@H](O)C[C@H]1CCCC(C)(C)C1	1994034236	PCPKFDKJIRIZFT-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCCC[C@@H]1C(=O)CCC[C@H]1C	1994328715	WOZTYQRBHSLKJE-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CN(CC1(C)CCCCC1)C1CCCCCC1	1995784070	YJUDTASLLFIWAR-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@H]1CCC[C@H]1C	2000314025	WXLIPJPPPUBLJQ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@@H]1CC12CCCCC2	2001258381	DYCWTCDJLQULLF-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C1CCCCCCCCC1)C1CC1	2001973443	NCFUMZQUIFJOJC-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCC[C@H]1CCC	2004706749	QCLRQRHNUHXPBP-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@@H](C)[C@@H](C)C1	2004712169	QQELOVWSNJKXQV-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)NC[C@H]1CCCCC12CC2	2005609879	MHESMIIHMRXXSU-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC1CC(CC(=O)[C@H]2CCC[C@@H](CC)C2)C1	2007769467	PDPXGTCBRCQPBY-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O	2009588407	JTQHHRGMSNHSTN-GADLPXAVSA-N	238.415	4.556	0	10	BJAE	
C/C=C/CCCNC1CCCCCCCCC1	2009591612	WLQTYZATYCCQRD-NSCUHMNNSA-N	237.431	4.825	0	10	BJAE	
C/C=C/CCC[C@H](NC)C1CCC(CC)CC1	2009633752	BORMXRWBDWRFAN-HBSNNGBZSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)C1=CCC(C)(C)CC1	2010735207	BPQYQWVIEXOSQA-XJKSGUPXSA-N	237.431	4.523	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@H]1CCC2(CC2)C1	2013270705	KWTULBOZVYQJIA-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)C(=O)[C@]1(C)CCCC(F)(F)C1	2014956089	BLUXLINSUMPKEV-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1csc2ccccc12	2015383587	NDLCXXDFKJTUDK-LLVKDONJSA-N	246.375	4.766	0	10	BJAE	
CC(C)C(CC(=O)C[C@@H](C)C(C)(C)C)C(C)C	2015387140	PCNZWUARDJCOSL-CYBMUJFWSA-N	240.431	4.946	0	10	BJAE	
CC(C)[C@H](C)C[C@](C)(CNC(C)(C)C)C(C)C	2015400559	QMDRMTFQFFTJSW-GDBMZVCRSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@H](O)C(C(C)C)C(C)C)CCC1	2015639402	GTAFRJVVRKQHTJ-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CC(=O)C(C)(C)CC(F)F)CC(C)(C)C	2016023668	TZRUOTHBJNEVAP-SNVBAGLBSA-N	248.357	4.699	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1(C(C)(F)F)CC1	2016738687	SXPZYTWDRFAXAS-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
C[C@H]([C@H](N)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017148850	TWCIAGYRJDGJJN-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@@](N)(C[C@H]2CC[C@H](C)CC2)CC1	2017719295	AQGINBUZNXWLSR-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCc1ccc(N[C@H](C)C(C)(C)CC)cc1	2017745753	DSZGLEAKVNDRCN-CYBMUJFWSA-N	233.399	4.876	0	10	BJAE	
CCC1CCC(C[C@H]2CCCC(=O)[C@@H]2C)CC1	2017775054	XAFVEZBCGPELLB-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(OCC2(CC)CC2)cc1	2018910026	HBIIMLFYEBOIRS-ZDUSSCGKSA-N	232.367	4.769	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@H](C)CC(C)(C)C)CC1	2019007672	DUTIGPHEFWZMQR-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCCC(C)(C)CC1)C1CCC1	2019765898	FYTIYGWDCYSUML-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC[C@@H](O)CC1CCCCC1)C1CCC1	2019852369	KSTKXQVOTJLLNP-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1C[C@@H]1C[C@@H](N)[C@H](CCC)CC(C)C	2022482893	GLMWGUWBOTWVOK-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
c1cc(NC[C@@H]2C[C@@H]2C2CCCCCC2)cs1	2022491604	CNCFIGCQTVWJQC-DZGCQCFKSA-N	249.423	4.767	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@H]2C(C)(C)C)CCCCC1	2022557845	RHGXFJXTOIFLPY-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CC1CC(C)(C)CC(C)(C)C1	2024097919	YVPHGDYUXNZWLW-OCCSQVGLSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@H](CSc2cccc(N)c2)C1	2024101384	KGAQJPXVXIRHHP-LBPRGKRZSA-N	249.423	4.577	0	10	BJAE	
CC[C@H](C)Cc1csc([C@]2(C)CC=CCC2)n1	2026530134	XVXWGTWIMWBVDM-SWLSCSKDSA-N	249.423	4.730	0	10	BJAE	
C[C@@H]1CC(c2nc(CC3CC3)cs2)C[C@@H](C)C1	2026537428	DSVLGACGWIIUBT-QWRGUYRKSA-N	249.423	4.635	0	10	BJAE	
CC1(CCC[C@@H](O)c2cccc(C3CC3)c2)CC1	2027830052	AJBNXVJNKKZLEJ-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)CCC[C@H]2CC2(C)C)c1	2027843263	PDOOIUCKOOKDID-HOCLYGCPSA-N	246.394	4.553	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)C(C)(C)C1CC1	2028099136	KVIXNCKYYLEOSH-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(c1ccc(C2CCC2)cc1)C(C)(C)C	2028611159	KCSJOXRDDYWJPB-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)c1ccc(C2CCC2)cc1	2032344747	UYDIZQAMOFPYLW-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
CC1(CCN[C@@H]2CCCC3(CC3)C2)CCCCC1	2033212413	KQINRDNHOYOWBW-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
N[C@]1(CCC2=CCCCC2)CCC12CCCCC2	2037172359	TZEAWZONDQIUOL-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC1(C[C@@H]2CCC3(CCNCC3)C2)CCCCC1	2037732870	WGAZKNYZRQGJMU-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H](C1CCCCC1)C1CC1	2038358210	RVEKZJXOMNZBLP-DLBZAZTESA-N	249.442	4.514	0	10	BJAE	
CCC1(C[C@H](NC)[C@@H]2CC23CCCCC3)CCC1	2038999187	IWJHZRQRMVEONQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@@H]1C(C)=CCC[C@H]1C	2039433391	BMEWHPVTJBQBRK-NQNKBUKLSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H]1C[C@H](C2(C)CCCCC2)C12CCC2	2039844233	QWUUQSMBUGUQRV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C)C12CCC(CC1)C2	2039864882	KNWLWLFYVIAKTH-JPLDOALUSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CCC(C)CC2)c(C)c1	2040634494	ZCZADKKXYCPCFV-DSSZZKGTSA-N	245.410	4.930	0	10	BJAE	
C[C@H](NC[C@@H]1CC=CCC1)C1CCC(C)(C)CC1	2040638748	NYDBMQAAUGOTTM-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](NC[C@]1(C)CC=CCC1)C1CCCC1	2042072066	MLMRDJZEJDTOOU-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@](C)(N)C1CC2(CCC2)C1	2043477586	IHJYCDPOGWFWOV-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@H](C)CC1=CCCCC1	2043683764	QUJQNTWLQOUNRH-PVAVHDDUSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NC1CC2(CCCCCC2)C1	2046230513	SUKFQWDAAATZIU-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)C[C@H]1CC12CCCC2	2047058724	LJLILIHTWABKHL-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@@H]1CC12CCCC2	2047060668	ZFOJTPYCZYIYLL-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
O=C(CC[C@H]1CC12CCCCC2)c1ccccc1	2047062863	RCZZRVQJQUSGJU-HNNXBMFYSA-N	242.362	4.620	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)[C@@H]1[C@H]2CCCCC[C@H]21	2049214515	LHBLAPYBZCOENY-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1=CCCCC1)CC1CCC2(CC1)CC2	2049851628	BWFTWQJCHDNMGR-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](CCC1CC1)CC1CCC2(CC1)CC2	2049855754	JXFGZEHARPABPI-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)[C@@]2(C)C=CCC2)cc1	2050003553	QDZQVRXTKNSPMA-KRWDZBQOSA-N	242.362	4.523	0	10	BJAE	
FCc1ccc(N[C@@H]2CCCC[C@H]2C2CC2)cc1	2055670384	VTQYSUNKHPUYPZ-JKSUJKDBSA-N	247.357	4.537	0	10	BJAE	
CCC1(C)CC(Nc2ccccc2C2(C)CC2)C1	2058827805	LMDUIODCMDOSDX-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H]1[C@H]2CCCC[C@H]21	2059250744	TWSDQROMZFHXBA-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C1=CC[C@@H](C(C)C)CC1	2061122317	NQJKRDFDLYEUIU-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
O[C@@H](CCCCCC1CC1)C1CC(=C2CCC2)C1	2061639811	JMWZLQURBBXEBD-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
O[C@H](CC1CC(=C2CC2)C1)C1CCCCCCC1	2061692041	WKUOYBFFHAEDLJ-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC1(CNC2CC2)CCCCC1	2062652391	OGDKYSIMUBICPE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063534928	DDIBSEFQNBWPDQ-MUJYYYPQSA-N	246.394	4.662	0	10	BJAE	
CC[C@H](NC1CC2(C1)CC2(C)C)C1CCCCC1	2064113351	LOPBLICXLYHTTL-CKDBGZEDSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CC23CCC(CC2)CC3)[C@@H](C)C1	2065280651	XOSCWWNVLOYZIR-SXBYWBFXSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC23CCC(CC2)CC3)[C@@H](N)C1	2065328882	SYHXDTOREATNHI-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC12CCC(CC1)CC2	2065334914	JTMPCAYDCJQVFG-MYBQVCMBSA-N	249.442	4.645	0	10	BJAE	
C[C@H](N[C@H](C)[C@@]12CCCC[C@@H]1C2)C1(C)CCCC1	2067519325	FFLICXCJHYGPSY-HWMZRRJGSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)c1cccc2ccccc12	2068846406	YMCCYYYBNRNINJ-CXAGYDPISA-N	242.362	4.555	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@H](C)c1ccccc1	2070303457	HNIYCEOHDSUDPH-DOTOQJQBSA-N	245.410	4.644	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)c1cccc(C(C)C)c1	2070399800	SSAWUHYTUIBRMZ-QGZVFWFLSA-N	246.394	4.764	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	2070407228	DWUAYFVLGXTCGE-WOYTXXSLSA-N	249.442	4.536	0	10	BJAE	
CCC1CCC([C@](C)(N)C[C@]23CCC[C@H]2C3)CC1	2070925807	JPMUVFHQRFISNQ-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H]2CC[C@H]3C[C@@H]32)CC1	2071060634	YVGKKHIHTOMWNC-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCN[C@H]1CCCCC12CCCC2	2071464436	DUYSLRADMRDUQV-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)C[C@@H]3CCCC[C@@H]32)CCC1	2071941118	PZRGIZKLHMQBTL-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](O)C2(C(C)(C)C)CCC2)c1C	2071969856	WVEJNXPXHZXUFB-HNNXBMFYSA-N	246.394	4.553	0	10	BJAE	
CCC1CCC(C=C(C)C[C@@H]2CCCCN2)CC1	2072822367	UAZQDRYXLJNNIW-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@H](N2CC[C@H]2C2CCCCC2)CCCCC1	2074801803	IYZVHBXLTBSGHI-IRXDYDNUSA-N	247.426	4.530	0	10	BJAE	
C[C@@H](CN1CCCC12CCCCCC2)C1CCC1	2075166108	TYWMYXKTSJAXNT-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1Nc1ccccc1C1CC1	2077261611	AWAMRXICWKHYML-LAQFHYBYSA-N	243.394	4.801	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CCCC23CC3)c1	2077264760	ZOJOTHPDQFVOLT-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CCC[C@H]3CC[C@H]32)c1	2077265385	RGMCGAHPAIJHCQ-XGWLTEMNSA-N	241.378	4.555	0	10	BJAE	
Fc1ccc(Cl)c(Cl)c1-c1ccccc1	2080831415	WSYGNJQKXJAZKF-UHFFFAOYSA-N	241.092	4.800	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@](N)(C2CCC2)C2CC2)C1	2082974521	ADLPYPGFHDRYFL-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@@](N)(C[C@H]2CCCC(C)(C)C2)CCC1	2082975469	JBEQOXLKVKDGHE-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@](C)(N)CCCCCCCC1CC1	2212448130	KFYRZQJEUAISOP-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)CN[C@H](C)CC	2212598620	XVMRSHZJRYGYGR-KFWWJZLASA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC(CCCCCCC2CC2)C[C@@H](C)N1	2213574422	SZRGILIYSGEKEI-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@H](N)CCCCCCC1CC1	2213578588	NVOMNUVKELOVNA-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(C/C=C/c2ccccc2)c1Cl	2213823317	QZIRRWDZWFHIOX-UXBLZVDNSA-N	242.749	4.904	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@H](N)C1(C)CCCCCCC1	2215258880	VXIHBZRIJFHAMX-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@H](CNC1CCC1)C(C)(C)C	2217142036	UPDAKXALXJDDMS-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218321782	GVBQXLRDMOKSJE-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC=C(C)C)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218353391	IDAKVLJEVBNPEQ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1CCCC2(CC2)C1	2218731341	MVDKFNJHMTTYBB-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC[C@@](O)(CC=Cc1ccccc1)CCC(C)C	2219046441	AAGLOWSVGVNELP-QGZVFWFLSA-N	246.394	4.667	0	10	BJAE	
C[C@@H]1CC[C@@](CCCCC2CC2)(CNC2CC2)C1	2220044644	JLVDIWYGDKNJRC-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@]1(C)CC=C(C)CC1	2221642748	IWCKJNHWCLCNKG-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@@H]2CC(C)(C)C2(C)C)CC1	2221647104	ZMCSAEAEACCEQV-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](NCCC2=CCCC2)C1	2222269706	WRGQBZKRSMBOOT-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
O=C(CCC1CC1)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222954902	OFSMZNZINQHHNX-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(Cl)c(Cl)cc1C1CC=CC1	2241617093	NVWWSCFCEKBURX-UHFFFAOYSA-N	227.134	4.735	0	10	BJAE	
CCCCCC[C@@](C)(O)c1csc(C)c1C	2242645388	VDBSGHJPSXZVKG-CQSZACIVSA-N	240.412	4.543	0	10	BJAE	
CCC(C)(C)CC(=O)CCCC[C@H]1C[C@@H]1C	2243043794	YRHHIZDJPFESAR-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1=CCCCC1	2243203313	OFHDEYLXUSIBPX-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@]1(C[C@@H](CC)CCC)CCCN1	2244774544	HAKXADFHJZIARB-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CC(=O)C1(CC[C@H](C)CCCC(C)C)CC1	2244847941	VIPYWOSWPBQKOR-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(NCC[C@H]2CCCCC23CC3)cs1	2246650741	QQOPIPKNMGKMHW-CYBMUJFWSA-N	249.423	4.829	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@](C)(O)CC2CCC2)C1	2246696439	XMJZJUQQMHXWBB-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCCC[C@]2(C)O)C1	2246725420	HRTAQOMMUBAIFG-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H]1C[C@]1(O)CCCCCC1(C)C	2247423489	WVLMRHGCALCMEG-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
N[C@@H](CCC1CCCC1)c1csc(C2CC2)c1	2248043904	FATAHAJOXZUBAZ-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
C[C@@H](C(=O)CCCCC[C@H]1C[C@H]1C)C1CCC1	2248867852	YAMVMXLQHHKDHL-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1CCC[C@@H]1C(F)F	2249201621	HYODXCRAUWUPTK-AAEUAGOBSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@H]1CCC[C@@H](C)C1	2250351650	FJBXQWWTZMGVOA-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)C1=CC[C@@H](C)CC1	2250362557	VSBRZHZZAZIWHY-IJEWVQPXSA-N	237.431	4.537	0	10	BJAE	
CCC1([C@H](O)CC[C@H](C)CCCC(C)C)CC1	2250475391	KBBWKPJLUANMJI-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(CC[C@H]2C=CCCC2)c(F)c1F	2251388738	ZCZNIOYUSQXUNZ-LBPRGKRZSA-N	236.305	4.562	0	10	BJAE	
C/C=C/CCC[C@H](CCC1CC(C)C1)NCC	2251758030	VVJPMWYECVNXHX-GUYZCGGBSA-N	237.431	4.537	0	10	BJAE	
N[C@H](CCCC1CC1)CC[C@H]1CCCCC12CC2	2253876686	YJJLEACINVMEOS-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCCCN(CC1CC2(CCCC2)C1)C1CCC1	2254106928	TZIQBPXKVOPLJK-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)CC(C)(C)C1CC1	2255047078	AYTCBLCZTYMYCZ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@@H]1CCCC12CC2	2255232165	FBNXIOPVUNRYKB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](O)(CC)Cc1ccc(CCC)cc1	2256251889	JOHRKIDCJWVYPT-KRWDZBQOSA-N	248.410	4.513	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1CC(=C2CC2)C1)NCC	2259452850	INLOMZXEYUUJCW-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cccc2ccccc12	2259464333	QQSQIRIBPOCNHS-GUYCJALGSA-N	241.378	4.666	0	10	BJAE	
CCCC1(C[C@H](N)[C@]23CCCC[C@H]2CC3)CCC1	2260500071	IKYHSBHPSZJHSP-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(F)ccc1NC[C@@]12CCCC[C@@H]1CC2	2260623729	NZUSWAWVWZCQIB-CJNGLKHVSA-N	247.357	4.516	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1=O	2261437350	ZNPGXEDLZYAZHF-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H](C)CC1CCC1	2298927942	XOWQIBRZTIGIBT-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@H]1CC(=O)CC2(CCC2)C1	2300679658	VSPBATIAEDFVCE-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C1CC(CC)C1	2300682735	BOXLMIYJTJRSEE-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](NC)C1(C)CCCCC1	2300683917	OTEMTWGYEKRBTH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@@H](NC)C1(C)CCCCC1	2300683918	OTEMTWGYEKRBTH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCC12CCCC2	2300703515	GZSDAXPPDKHIBU-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(=CC[C@H](N)C1CC(C)C1)CCCC(C)C	2300872286	OIFMYNDBDMXZEL-GPANFISMSA-N	237.431	4.523	0	10	BJAE	
CC(=CC=C1CCC[C@@H](N)C1)CCCC(C)C	2300901353	INTRIEYHELCRNM-MRXNPFEDSA-N	235.415	4.587	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC1CCCCCC1	2301143859	XUOIFWOOXXYJRL-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC(C)=CC[C@H](CCC1=CCCCC1)NC	2301903434	UIRJXEJGQPDZJH-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1cccc(C(F)F)c1	2301965967	YTSNVEBGICYIQQ-GHMZBOCLSA-N	241.325	4.717	0	10	BJAE	
CC1(C)C[C@@H]1c1csc(C2C[C@H]3CC[C@@H]3C2)n1	2302262231	JWRDZHLUTDQNAQ-CKYFFXLPSA-N	247.407	4.560	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@]2(C)CC=CCC2)n1	2302267859	LDAVLGYKNIGFSZ-IAQYHMDHSA-N	247.407	4.654	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)CCCC1=CCCCC1	2302354644	UGIXCBNLYLVHLE-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC(C)C(CCC[C@@]1(C)CCCCN1)C(C)C	2302541600	CFFDXHMMFHOXHP-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@]1(C(CC)CC)CCC(C)=C(C)C1	2303467229	DMXWZPBMKJAAGA-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C(=O)C[C@@H]1CCC(C)=C(C)C1)C(C)C	2303590108	VXTMZHBVKVDLNS-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
CC(C)c1cccc(NCCC2CCC2)c1F	2307550667	GZHCFTCDEMDUJD-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1CCC(F)(F)CC1	2307762024	ZAYJTRFJNPMRRX-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CC(C)=C[C@H](C)C1	2307844541	OBXZDYHMYCLSCT-HNKHHVNMSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](CC)CCC[C@H](O)c1ccccc1	2307901049	HIKQHZUMVNHMHF-HOCLYGCPSA-N	234.383	4.717	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309180574	FXHGRCLMFSLMIE-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)CCC[C@H]1C[C@H]1C)C2	2318931176	PVDUNTCRVBWCTG-LBFCRXEYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(N)CCCCC23CCC3)C1	2319031202	QOMMDBHYOYYWQZ-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCCC[C@@H]3C[C@H]23)CC1	2319329004	LEXVADBQDMEEHL-NZZOYKRFSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@@]1(C)CC=CCC1	2320258135	KFUTVXOHEWRSNB-CPUCHLNUSA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@@H]2CCCC2(C)C)CC1	2320413418	NJCJAOITCJGBAQ-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C[C@]1(C)C[C@H]1C)c1cccc(C(C)C)c1	2320512500	AFKJZMPLEUFTNI-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CC1=C(C)C[C@](N)(CC[C@@H]2CCC(C)(C)C2)CC1	2321638959	GLNLYDWYERWOKJ-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCC[C@@H](C2(CN)CC3(CCCCC3)C2)C1	2326700659	YPZBXAIYNQIGDM-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](O)c1cc(C)ccc1C(C)C	2327696312	CHDPIJADXMARQU-UKPHBRMFSA-N	246.394	4.588	0	10	BJAE	
CCCCC[C@H](C)Nc1cc(C)ccc1C	21506477	TUYCIQWVOTXFNF-AWEZNQCLSA-N	219.372	4.684	0	10	BJAE	
CCCCCC(CCCCC)NCC(C)C	37186752	WFPLDEBSSAIIOC-UHFFFAOYSA-N	227.436	4.761	0	10	BJAE	
CCCCCCN[C@H](c1ccc(C)cc1)C1CC1	37232583	GOTRIBFANJHDDI-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CC[C@H](Nc1ccc2sccc2c1)C(C)C	37282526	GLFZZPVLFCAQBR-ZDUSSCGKSA-N	233.380	4.748	0	10	BJAE	
CCCCCCNc1ccccc1OCCCC	66169570	PBGRSWJAXPSIGT-UHFFFAOYSA-N	249.398	4.858	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@@H]1CCCC[C@@H]1CC	68848427	MKTGQPYQGQTNIQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NC2CCC(C)(C)CC2)cc1C	79619915	DEWDPACCVIZJNY-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
C[C@H]1CC[C@H](N[C@@H](c2ccccc2)C(C)(C)C)C1	80434155	OCCUONZXDWQSHM-BPUTZDHNSA-N	245.410	4.552	0	10	BJAE	
CCN(CC)c1ccc(CCCC(C)C)cc1	82008818	YHVUDTBYMLOVOM-UHFFFAOYSA-N	233.399	4.512	0	10	BJAE	
CCc1ccc([C@@H](N)C2CCCCCCC2)cc1	86578753	LTXAQZLCXWGZIG-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCCC(C)(C)CC1	86909285	NUGXRDRYNDVKSQ-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
CCC1([C@H](NC)c2ccc(C)cc2C)CCCC1	94899986	KYZJLJNBNNORFE-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCC(CCC)[C@H](N)c1sccc1Cl	132924948	JNTLANKSSCOSSM-NSHDSACASA-N	245.819	4.618	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C1CCCCCC1	149208412	AWOLVXBDFSISBP-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCN[C@H]1CCCC[C@H]1C1CCCCC1	161674364	NCBBJNYRWHELEJ-SRPIJEGYSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C1CCC(C)CC1	168420675	GEHSQLDDIRDXRN-ROKHWSDSSA-N	224.388	4.598	0	10	BJAE	
C1CC[C@H](CNC2CC2)[C@H](CC2CCCC2)CC1	211977352	CTQUKNKFZWHQPL-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C/C(=C\c1ccc(C(C)C)cc1)CNC(C)(C)C	212325290	QEOWONQLSLFKNV-SDNWHVSQSA-N	245.410	4.601	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC[C@H]2C(C)C)c1	214442853	OYMAPUQVAMNBOB-HOTGVXAUSA-N	231.383	4.622	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](CCCC(C)C)C1	221656167	XWBZPMNJNMPNOH-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](c1ccccc1CC)C(CC)CC	228687256	HJXHAVHTSIYFQM-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@@H](c1cc(C)cc(C)c1)[C@H](C)C(C)C	229475389	VCFIXQFRGMJUNR-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
Cc1csc2ccc(-c3ccccc3)cc12	230492198	IRWZXBMBROLXIC-UHFFFAOYSA-N	224.328	4.877	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)c1coc2ccccc12	233351351	SJHXKBFHECQQJM-BLLLJJGKSA-N	245.366	4.520	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2cccc(Cl)c2)C1	235407104	JQXCUTHUMPCSPV-WCQYABFASA-N	249.785	4.744	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C(C)(C)CC	300806017	FEJMDWFPSDQJJU-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CSc1ccccc1NC[C@@H](C)CC(C)C	301017250	ZYLNGZRZHXCRSS-LBPRGKRZSA-N	237.412	4.503	0	10	BJAE	
Cc1cccc([C@](C)(O)CCC2CCCCC2)c1	302256197	MSYLNMPSQCTGRB-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CCN[C@H](CCCCC1CCCC1)C(C)(C)C	302268415	QQPQEZDZFIVUHS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)CC1=CCCCC1	302281306	USZPKZHIXOMLCR-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)[C@@H](C)CC(C)C	302563604	NBDRHIVMCQHEJE-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1n1ccc2cc(F)ccc21	304930748	DLTLVEGQTZVNKR-IUODEOHRSA-N	245.341	4.922	0	10	BJAE	
Cc1cccc([C@H](C)N[C@H]2/C=C/CCCCC2)c1	305939550	FSWOGHJHYHUWPZ-JQUABVIOSA-N	243.394	4.535	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C1CCCCCC1	308042558	BXKYQVYYAILADB-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CC(C)(CN[C@H]1CCCCC1(C)C)C1=CCCC1	308760157	WFBAOTJYRKEIGB-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)CCC(C)(C)C)C1	309488851	ZAABPMBKILSPCZ-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCCC[C@H](N)C2)CC1	310124094	ITPKIDDJSZTLQA-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](c1cccc(C)c1C)[C@H](C)CC(C)C	310667425	DYWAPEUBVHEUCD-PBHICJAKSA-N	247.426	4.636	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNCC)CC[C@H](CC)C1	317256633	LWOCRJXNHPCGJN-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CC[C@](CNC2CC2)(CC2CCCCC2)C1	318171847	IJCXJJIBFTWQIR-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)[C@H](C)[C@H](C)CC	318889549	NVSRQICTVGDWEC-INMHGKMJSA-N	247.426	4.718	0	10	BJAE	
CCC[C@@H](Nc1ccc(F)c(C)c1)C1CCC1	322250414	CPZGBLPJKFFWLU-OAHLLOKOSA-N	235.346	4.515	0	10	BJAE	
CC(C)NCC[C@H](C)CC/C=C/c1ccccc1	324216899	YICDBIKXCUDSPC-OQRGYWNNSA-N	245.410	4.504	0	10	BJAE	
CCc1cc(N[C@H]2CC[C@H](CC)C2)ccc1C	379767544	KZXPKSBYUNWPGU-ZFWWWQNUSA-N	231.383	4.548	0	10	BJAE	
Cc1cc(C)c2c(CC(C)(C)C)c(C)[nH]c2c1	382457418	XMQFZPDWPMFPAI-UHFFFAOYSA-N	229.367	4.682	0	10	BJAE	
CCC1([C@H](O)C[C@H]2CCC[C@@H](C)C2)CCCC1	382507090	VTXJYSYWRVBPEN-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C1CCCCC1	383098016	DOLHXRXJHKKKBL-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC/C=C\CN[C@H](C)c1cc2ccccc2s1	384731192	JPJABISSTAOTAN-DJFZKKHWSA-N	245.391	4.518	0	10	BJAE	
Cc1cscc1NC1CCCCCCC1	386994031	GSFGZBJPLFZULM-UHFFFAOYSA-N	223.385	4.581	0	10	BJAE	
CCCC[C@@H](C)NCCC1CCCCCC1	394646988	XEPVAQLWTBKPOT-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CCCC12CCC2	394869147	RDTYCKDYFSTHEU-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
Cc1c(C(F)(F)F)cc2sccc2c1C	396196468	KINJCPUHQQZJNJ-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)CC1=CCCCC1	400454282	IBIBTAICEMBVGM-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
O=C(CC1=CCCC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	401051052	WMUDLMIRRONEFV-HRCADAONSA-N	246.394	4.662	0	10	BJAE	
C[C@H](C[C@H](O)CCC(C)(C)C1CC1)C(C)(C)C	405986932	FHSFDHZUSZEQLB-TZMCWYRMSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNCCC(C)(C)CC)C1	686306835	GIKZMPWCWIYKII-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1ccc(F)c(C)c1	691133610	FCTPAGIAURCAJV-CZUORRHYSA-N	249.373	4.905	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@@]12CCCC[C@H]1C2	693186349	VCUNRYWVOYQDAC-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]([C@@H](CC(C)C)NC)CC1	695081316	OXSXTJTXTSXLMM-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CCC=C(C)C)C1	697836267	QDZTWNJHCJVLBV-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@@H](C)C1CCCCC1	703963512	MYUHHUSKSBVKHF-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCC1(CN[C@H](C)[C@]23CCCC[C@@H]2C3)CCCC1	709156558	VHLCDWLUWOJBSF-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)Cc1ccc(C(C)C)cc1	709238038	SQFJJGWZPVGGSQ-CQSZACIVSA-N	246.394	4.604	0	10	BJAE	
CCCC[C@@](CC)(C[C@H](C)C(C)(C)C)C(=O)O	710701044	SGHMOLGUDWCKDN-WFASDCNBSA-N	242.403	4.730	0	10	BJAE	
CC(C)NC[C@H](CC(C)(C)C)C1CCCCC1	713173484	HYXDIWMBHACEBR-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1cscc1Cl	713305453	VXJCMEQJYDRKSV-UHFFFAOYSA-N	244.787	4.657	0	10	BJAE	
CC(C)CCC[C@]1(N)CCCCCC1(C)C	719188191	AIWLXSBBUVBYNM-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(N)CCCCCC1(C)C	719204473	SYLSHRJAUFIRPV-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CCCCCC1(C)C	719260545	MWDPUOGYDJHFAK-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC[C@@H]2C[C@H]2C1	720985505	LPPSYKOZZWWKFX-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)[C@H](NC)c1cccc(C(C)(C)C)c1	821964138	UXGGOHMMGHDIPK-INIZCTEOSA-N	247.426	4.681	0	10	BJAE	
CC(C)(C)P(C1=C=C[CH-][CH-]1)C(C)(C)C	1082758113	DDFDFFYAMJBIIS-UHFFFAOYSA-N	208.285	4.526	0	10	BJAE	
CCCC[C@@H](C=C1CCc2cc(N)ccc21)CC	1880483732	HUFASCMQKPZHFJ-ZDUSSCGKSA-N	243.394	4.815	0	10	BJAE	
Cc1cc(Cl)c(C2CCC(C)CC2)cc1N	1901173845	KYSVRVOWAFYRRM-UHFFFAOYSA-N	237.774	4.524	0	10	BJAE	
Cc1sccc1-c1ccc2c(c1)CCCC2	1901896052	AJMGDXBNLUMJQX-UHFFFAOYSA-N	228.360	4.602	0	10	BJAE	
CCC(CC)c1ccc(CC(F)(F)F)cc1	1905225376	MJJUSAIVNBQPNC-UHFFFAOYSA-N	230.273	4.695	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](O)CC1CCCCCC1	1908582142	KHYFUYFKLXVKAA-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@]12CCCC[C@@H]1C2	1909922119	DMBBQXWUSRYNCH-LZWOXQAQSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCCCCCCC[C@H]1O	1913387655	BTMUJKFZFNDYCR-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
O[C@]1(CC2CCC=CCC2)CCC2(CCCC2)C1	1916436150	QTMLNDOQZKQFMW-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)NC[C@]1([C@H]2CCC2(C)C)C=CCCC1	1916615491	KQPJYLLMAUHPBH-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1CC(CCC)C1	1921181370	VWSAFFVFTMRQHD-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCCC12CCC2)C(C)(C)C	1921618998	HFGWRLJCTODZCH-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(N)C[C@H]2CCC[C@@H](C2)C1	1923474922	FCZRIEOAYNYWRY-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(CO)C1CCCCC1	1923892028	AJKKAQCZVJQNRF-INIZCTEOSA-N	240.431	4.782	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCC1)[C@@H](C)C1CCCCC1	1924104260	JRIJICAQIXCWIF-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@H](N)[C@H](C)C2CCCCC2)c1C	1924129708	HUWTULSMQRZWGM-RHSMWYFYSA-N	245.410	4.520	0	10	BJAE	
CC1(C[C@H]2[C@@H](CN)CCCC23CCC3)CCCC1	1924835841	FZGYLCGVKDUTNQ-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H](CC)C(C)C	1936212425	MAEGZLMTAZTHLU-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
CC(C)=C(C)CCOc1ccc(C)cc1Cl	1936613850	RWXSMMRWSWBFRB-UHFFFAOYSA-N	238.758	4.774	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cc(C)cc(Cl)c1	1939678552	DWAITLYYQYKGCZ-SMDDNHRTSA-N	240.774	4.508	0	10	BJAE	
CCC1([C@@H](N)CCC[C@H]2CC2(C)C)CCCC1	1940873073	BGAZMCHMXYVYIL-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](N)CCCC(C)(C)C	1941266963	LYDKOSCQALFMND-LSDHHAIUSA-N	241.463	4.848	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)CCCCCC2CC2)C1	1941574871	GXRJCNWBBNLDKX-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)CCCCCC1CC1	1941575758	PGGPCFVVDOOWSZ-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)Nc1ccccc1C1(C)CC1	1944596219	LPOFEDRMOHSFQA-ZDUSSCGKSA-N	231.383	4.729	0	10	BJAE	
CCCc1ccc(C(=O)C(C)(C)C(C)C)cc1	1944642333	PFVRWYHGXSERCG-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CCCN[C@H](C1CCCCC1)C(C)(C)C(C)C	1944668233	LMUJORKVFKLMOZ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)NCCC1(C)CCCCC1	1945420296	ZLWMBFRPFHXYKJ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C1CCCCC(NCCCC2CC2)CCCC1	1947882034	VZUYEQZWSNSQTD-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C2=CCCCCCC2)C1	1948951420	DEDAMXMKCUVZEK-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C2=CCCCCC2)CC1	1948977502	GJLZNGLEHLOAPI-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CCC[C@@H](CC(C)C)C1	1949023912	GYNSJAWZZXBPNE-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@@H]1CCC(C)(C)C1	1949515431	ANJJJWJFCVLTOW-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)CC1CC2(CCC2)C1	1949739478	DNQARFRGPRHHNH-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@H]1CC12CCCCC2	1950668711	OIPSOGFWPOPCSM-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)cc(N(C)CCCCCC2CC2)c1	1966163664	LOAHHXRVHGNNJI-UHFFFAOYSA-N	245.410	4.710	0	10	BJAE	
CC(C)c1ccccc1OCC1CC2(CCC2)C1	1968370723	KXMHACPYQYQJLQ-UHFFFAOYSA-N	244.378	4.769	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCCC3(CCC3)C2)[C@H](C)C1	1969582790	OEVWJQSHSFZLNO-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CC[C@]1(C)CCCN([C@@H]2CCC3(CCCC3)C2)C1	1969870778	TVKPOEFRVBTZSR-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCC2(CCC2)C1	1970830308	SXSUHZNPJGRHDZ-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)CCC1CC1	1971390456	WTPYLRHSZWVTCW-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CCC[C@H](C)C[C@](N)(CC)C1CCCCC1	1975998659	PTTLNHHLSGGDIE-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](CCC(C)(C)CC)NC	1976002436	ARCUTXJQUBINPY-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CCC)NCc1cc(C)cs1	1976037046	LUXZREBYOIUSRO-ZDUSSCGKSA-N	239.428	4.505	0	10	BJAE	
CCC1(C)CC(Nc2cccc(C)c2Cl)C1	1984403127	IDXYCOINYLQIBK-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CC=CCCCC(=O)C(C)(C)C1CCCC1	1984591797	UEFWGTWEURRLMF-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CC=CCCCC[C@H](CCCC)NCCC	1984631614	DRNIXKMVWUSVJM-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
C[C@@H](CCCC1CC(=C2CC2)C1)C(F)(F)F	1989313916	YWLOFAIZSWNLQG-VIFPVBQESA-N	232.289	4.856	0	10	BJAE	
CC(C)C1(COc2ccc(Cl)cc2)CCC1	1989445545	NDYAUANVHPKUKX-UHFFFAOYSA-N	238.758	4.545	0	10	BJAE	
CCCC[C@@H](O)CC[C@H]1CC[C@H](CC)CC1	1989807738	MQGZZNAKWRKEGU-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CCC[C@H]1C	1995205733	VCUVONRVNDSOFC-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CC1CCC([C@](C)(O)C[C@@H](C)C(C)(C)C)CC1	1996548950	SVENVGFXTMXZKR-YWIABWOTSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C1CCC(C)(C)CC1	1996560666	GMIWMOPVWIUEJL-BBRMVZONSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNCC(C)(C)CC)CC1	1997215179	NRJBEGFWKXVJGG-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC[C@@H]1CC(C)C	1998753880	YUAMCCCKVDOYHQ-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCC[C@@H](C(C)(C)CNC(C)(C)C)C1	2000162016	JMXQKSYTEJDBAB-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cccc(C)c1C	2000212525	WIEUAJWTVNERAV-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CCNCC(CC)(CC)[C@H]1CCCC[C@@H]1CC	2000499689	MWNMHDXADXMYPC-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCCC1CCC([C@H](N)CC2(C)CC2)CC1	2002502875	AUBUCTJDRHMWRP-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]([C@H]1CC[C@H](C)CC1)C(C)(CC)CC	2003066381	BBCOFBMNFWZLAM-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC1CCC2(CC1)CC2	2003227087	JATKMXZVRHBXFP-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(=O)[C@]1(C)C=CCC1)C1CCCCC1	2003322463	CGLYRSHAKAGSOY-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@]1(C)C=CCCC1	2003324111	HFLWUEKCGNTGPV-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@]1(C)C=CCC1	2003328271	BUJKPYMGWYDMKO-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(N)([C@@H]2CCCC[C@@H]2C)CC1	2004342125	PPTNRCRIZSDWKB-QRNKSROTSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@]1(C)CCCC1(C)C	2004706947	RXUXGODADPSHMG-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C(C)(C)C)C1(C)CCCCCCC1	2004923320	PELIAVZUVSTXGD-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@@H]1CCC[C@@H]1C	2006757593	DRVXBNVTQWLVGB-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CC(C)(C)CC)[C@H]1C	2006981975	RMOJFVOSZWSTCQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@@H](N)C2CCCCCCC2)C1	2007812776	PWVCTIFAJFPDFQ-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)NCc1ccc2sccc2c1	2008093002	LTRDEBPQMGUGPE-UHFFFAOYSA-N	247.407	4.570	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CCC(C)(C)C2CC2)CC1	2009403239	AHNOCYXEWMGVQW-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)CC[C@H]1CC(CC)CC	2009406331	GGAYSRVCBUSSSH-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@H]1CCC[C@@H](CC)CC1	2009626132	DBLKDDVGRQLRRY-CWWGABCBSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H]1NC[C@@H](C)[C@@H]1C(CC)(CC)CC	2009770533	QJWHCBXVHLETSQ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC(O)(CCC)C1=CC[C@@H](C(C)C)CC1	2010721938	RTXKEQHLDHEYJD-CQSZACIVSA-N	238.415	4.700	0	10	BJAE	
CC[C@@](CCCCCF)(CNC(C)C)C(C)C	2012410835	JVPKGCRVBNUXBV-OAHLLOKOSA-N	245.426	4.567	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]2C2CC2)c(C)cc1Cl	2017044826	UIAAIZONNKFPGV-TZMCWYRMSA-N	249.785	4.557	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)CC2CCCC2)CCC1	2017146773	WLBKKNMRXYHJKC-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCCCC[C@H]2O)CC1	2017716049	PKJNPHQEGSNPRC-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC2(CCC)CC2)C1	2018926278	ZAFDDMPMQDFSRL-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CCN(C)C[C@H]1CCC[C@H](C)C1	2019162761	FEQLFLHDOLVHCC-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)C1CCCCCC1	2019197906	FCMZNPAVAKLFLF-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H](C)N(C)C1CCC(CC)(CC)CC1	2019305468	JOTWBQPVOKMXHU-CQSZACIVSA-N	239.447	4.856	0	10	BJAE	
CC1(C)CCC[C@H](CCC2CCCCC2)[C@H]1O	2020400097	KCYOSODDPMGNDQ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C[C@@H]1C[C@@H]1C(C)(C)C)NCC	2022489731	MYERBUKJGZZAAT-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNCCC)[C@H]1C=CCC1	2023257801	XEHVCWZEPWWTFI-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCN[C@@H](CC=C(C)C)c1ccc(C2CC2)s1	2023318750	IZGHJECRYBTKIV-ZDUSSCGKSA-N	249.423	4.632	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CCCCC(C)(F)F	2023343265	BMCADJBSGOPJBB-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCCCCC[C@@H]1CC(C)(C)C[C@H]1NCCC	2023611728	LDIVXJFLUXSAHY-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
c1ccc(-c2nc3c(s2)[C@H]2CCC[C@H]3C2)cc1	2026232587	AFYXILHQYDCUOW-RYUDHWBXSA-N	241.359	4.565	0	10	BJAE	
CC[C@H](C)Cc1csc(C23CCC(CC2)C3)n1	2026529226	NKBOMHNZBLWGFK-BZUNDVKYSA-N	249.423	4.563	0	10	BJAE	
CC[C@@H](C)Cc1csc(-c2cccc(F)c2)n1	2026531150	KLFJMUCECSLJGX-SNVBAGLBSA-N	249.354	4.538	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CCC[C@@H]1C1CCCCC1	2027006190	JRYPDCPRLHJTKQ-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
CCc1cccc([C@H](O)[C@@H](CC(C)C)C(C)C)c1	2028235931	UZLMGBKCBPEOSB-IRXDYDNUSA-N	248.410	4.601	0	10	BJAE	
CCc1ccc(C(=O)[C@H](CC)C(C)C)cc1CC	2028252192	MJKFCKCJKWDQBF-MRXNPFEDSA-N	246.394	4.676	0	10	BJAE	
O=C(c1ccc(C2CC2)cc1)C1CCCCCC1	2028591859	XEGCWFNHUFJKIS-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC(C)(C)c1ccc(NC2C[C@H]3CC[C@@H]3C2)cc1	2029081776	XIYJTPVDAAELIX-CHWSQXEVSA-N	243.394	4.585	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)C1(C)CC(C)(C)C1	2029107580	HQZHKPKFJXEZAL-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1COc1ccc(C(C)(C)C)cc1	2032477418	BORLFYXJFOUFBC-ZIAGYGMSSA-N	246.394	4.799	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC2[C@H]3CCC[C@H]23)CC1	2032822401	JUMYDCHGJDYGOF-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1CC(C2CCCC2)C1	2033763820	DTBUENJVVWBXEJ-MFNRNEDNSA-N	249.442	4.514	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CC[C@H]2CC[C@H]1C2	2035048424	AZDZNLUOMUIYNS-ISTRZQFTSA-N	241.378	4.555	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H](C)[C@@H]2C(C)C)ccc1F	2035409017	LIEKQBSSDZFKAK-XZJROXQQSA-N	249.373	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccccc1C	2035418522	BCVKGLKAVGKFDX-UXLLHSPISA-N	245.410	4.614	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)C1CCCCCC1	2035600578	MIDNNJRMVDCXES-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C1CC2(CC2)C1	2036190467	IDEDYVVKXICCFQ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	2036662715	YHZXIZDMZZKJFQ-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CCC1=CCCCC1	2037167826	AKGWDDCVFKACNR-IXDOHACOSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1[C@H]1CCC2(CCCC2)C1	2037706923	ZGJUAGHFHBRKTD-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1=CCCC1)[C@@H]1CCCC(C)(C)CC1	2039383996	GCAHJKCGTAGOCF-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC1CCCC1)CC12CCC(CC1)C2	2039414353	ARUWBTJPTRGIMV-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C1CC2(C1)CC(C)(C)C2	2039424633	SIKPGGDDLMSZSE-JSGCOSHPSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)C1CC2(C1)CC1(CCC1)C2	2039424910	WRCPGMPIJDWDEH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](N[C@H]1C=CCCCCC1)C1(C)CCCCC1	2039850433	SVYRYYZIYOSYRM-CVEARBPZSA-N	249.442	4.824	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)[C@@H]1CC=CCC1	2042019057	LHEUJESATZCLSE-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCC1(C[C@@H](O)c2ccccc2C2CC2)CCC1	2042243985	YMLIZNXOQDVAJI-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1ccccc1C1CC1	2042279485	XOVHSADOQUZJEW-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042345543	ROSXFWPSQMCVQX-NXOAAHMSSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C)c(C2=CCCC2)c1	2043810819	HCDLPMGUNOZHRA-AWEZNQCLSA-N	243.394	4.623	0	10	BJAE	
CN[C@H](CC1CC(C)C1)C[C@H]1CCC=CCCC1	2045328679	GYYJBFBZEPZKNP-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(N)C[C@@H]3CCCC[C@@H]3C2)C1	2045385299	OTSLKTDVVUSUMW-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CC23CCC(CC2)C3)C1	2045392655	WQUJUZLHZMFNQJ-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(CN)CCCC23CCC3)C1	2045518160	ZEDRBGZFCQEQFL-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCC(C)(C)C2CC2)C1	2045561208	DINHFRUEEJIBQG-JSGCOSHPSA-N	248.410	4.764	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@H]2C[C@H]3C[C@H]3C2)CC1	2045896729	RISOPPVDCRRQFO-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2047437971	PQACRHMNHFNHEQ-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
O[C@]1(C2=CCCCC2)CCCCC12CCCCC2	2047589837	LHQAFJKOZTVNGD-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CC(C)(NC[C@@]1(C)CC=CCC1)C1CCCCC1	2047717053	BCBCQZNVYJRMKN-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@H]1CC[C@H](C)CC1	2049685211	XDAIFMSKAAIOIJ-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CCC3(CC3)C2)CCCCCC1	2049850758	ABMSWYNWWQULMZ-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc(NCC2(C)CC(C)(C)C2)cc1	2050109604	BVNSHMHOJVVJLD-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC2(CCCC2)C1)C1(C)CCC1	2052357423	XORYAEFQDVARDL-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@@]1(CCC2CC2)CCCCC12CC2	2053360152	URHLOIHMMJGVGR-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@]1(CN)CCCCC12CC2	2053419903	WFCQJGORGVWCIX-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CN(C1CC=CC1)[C@H]1CCCCC12CCCCC2	2053698803	YQHKWLDTLHPRGD-INIZCTEOSA-N	247.426	4.530	0	10	BJAE	
CC1(F)CCC(Nc2ccc(C3CC3)cc2)CC1	2053910812	KXCNNHWKJUAYIR-UHFFFAOYSA-N	247.357	4.647	0	10	BJAE	
CC1(C(=O)CC2CCCCC2)CCC2(CC2)CC1	2056538965	COYRBFUNEDBTGS-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC2(C3CC3)CCCC2)CC1	2057603315	FPXRADWVNWLXEX-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@]1(CNC2CC2)CCCC[C@@H]1C	2059258019	CJTDQMHRZHAIJW-PIXXYMSQSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1C[C@H]2CCCC[C@H]21	2059262819	PDQYPILKUBWQFQ-UCCFHMQISA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N(C)C[C@@H]2C=CCCC2)C1	2059474621	BVDQBIDNYGRQAI-KLAILNCOSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](CCC1CCC1)C1=CC[C@H](C(C)C)CC1	2061089020	QEHUPUXPLNBBSZ-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CC1CC(=C2CCC2)C1	2061738078	YNCRRSBQXRAIFL-DLBZAZTESA-N	249.442	4.667	0	10	BJAE	
CCC1(NC[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063476257	HDQBFXOPDMJJRL-PHZGNYQRSA-N	249.442	4.515	0	10	BJAE	
NC1(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCCCCC1	2063497557	RKZFGCZENOUKSN-MUJYYYPQSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)CC12CCC(CC1)C2	2065273632	YWMTWIATOZBGPA-FDVNEVKMSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@@](O)(CC23CCC(CC2)CC3)CCC1	2065306379	VAVNTDDAQXEFHU-JCYILVPMSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@H](NC2CC(CC(C)(C)C)C2)CCC1	2067967335	ZWHJQRUUTOWALD-UYSNPLJNSA-N	249.442	4.680	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@](C)(N)[C@H]2CCC2(C)C)CC1	2068269265	JVYHCDQNODBFDV-KMFMINBZSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H](CC[C@@H]1CCc2ccccc2N1)C(C)C	2070272974	LZOQDPQGUNIKCG-GOEBONIOSA-N	245.410	4.876	0	10	BJAE	
CCCc1ccccc1[C@](C)(N)CCC=C(C)C	2070303120	FOZLPAYFFRGNAF-QGZVFWFLSA-N	245.410	4.559	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCC(C1CC1)C1CC1	2070400825	YVLOBMUNPNSJBZ-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]2C2CC2)CC1	2071794050	KTBALQWMAKALSF-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2CC=CCC2)CC1	2072681137	FKIFFCBXJJPKAX-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H](NC[C@H]1CC[C@H](CC)CC1)c1ccco1	2072681684	LOAGYGLEIXAGGR-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)[C@@H]2CCCC23CCC3)CC1	2072807361	VJBICDYCRBRUST-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)[C@@]23CCCC[C@H]2CCC3)CC1	2074647421	XEZJKPAHXZZCFL-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2075565735	NBBCRXFDUROAIW-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1C[C@H]1C1CCCC1)C1CC1	2079471984	CJPVWIQITANEKO-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1ccccc1C1CCC1	2079473323	KHFVLCJUTCLLOU-BBRMVZONSA-N	242.362	4.573	0	10	BJAE	
CNCCCC(C)=C[C@H]1C[C@H]1C1CCCCCC1	2079707714	VESSSPMIYJKSST-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	2079866256	RLOAVUSYJUSIET-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCCCN(C[C@H]1C[C@@H]1CCC)c1ccccc1	2079892178	YIYBNVKAQAXZKG-JKSUJKDBSA-N	245.410	4.729	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1[C@@H](C)CCC[C@H]1C	2081946260	FSQZMDFXWNBMBO-ATCWAGBWSA-N	249.373	4.625	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(C)[C@H]2CC[C@H](N)C2)CC1	2082163294	YAPNOHKURYEVOU-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCC[C@H](CC2CC3(C2)CC(C)(C)C3)C1=O	2082841709	GUTSGWXPOAVFGL-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@@](C)(O)Cc1cccc(C)c1C	2082943424	AHEWLTLODFQTQA-QGZVFWFLSA-N	248.410	4.567	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C2C[C@H]3CC[C@@H]3C2)C1	2082982654	MMNIOIPMTJJNIP-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(C[C@H]2CCCC3(CC3)C2)C1	2085304226	ZAINAVHKAJHYBK-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)CC(C)(C)C	2212580488	LZXCQGZYUKYHBD-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)[C@@H](C)C(C)C	2213578019	HXDRCIMVGUBRGH-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC[C@@H]2C[C@H]2C)CC1	2215265860	MJFSLLHDGHZQSK-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCc1cscc1C(=O)[C@]1(C)CC=C(C)CC1	2215822678	AEZCCKLOEPBNPW-OAHLLOKOSA-N	248.391	4.630	0	10	BJAE	
CCC1CCC(CC(=O)CCCC(F)F)CC1	2216421472	SKVRFTFDMUXRFM-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC(C)C(=O)CC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216740829	ZSUKHTQUZJEDJP-RRFJBIMHSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)CCCCCCCC1CC1	2216875968	ARLMPCQCOINIMZ-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)[C@@]1(CN[C@@H](C)CC)CC=CCC1	2217152142	BLZMWVPXIDNWQD-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(F)cc(NC2CCC(C3CC3)CC2)c1	2218894747	LYGAUZZJSYRYPE-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
FC(F)c1ccc(C/C=C/c2ccccc2)cc1	2219074584	SYTVNHXIKQGRNB-QPJJXVBHSA-N	244.284	4.880	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CCCCC1CC1	2220030107	JBTZUDGBFYDBNR-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC[C@@H]1C	2220517435	BHQOVZPMTNUXSP-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](c1c(C)cccc1C)C1(C)CCCCC1	2222011728	PBUKZWGQOXFVCZ-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)c1ccsc1C	2244779505	DGMHOPAROXBOEF-OCCSQVGLSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@](N)(CC)CC[C@H]1CCCCC12CC2	2246623770	PDPJGVGJZPAWOM-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
C[C@H](C(=O)CC[C@H]1CCC[C@@H](C)C1)C1CCC1	2246662407	GQNWJGPBIPHISL-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCCC[C@@H]2O)C1	2246733987	SJXNFFKIZRMCEG-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(c1cc2ccccc2s1)C(C)(C)C	2246951647	MPBSJACSEZOUHN-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@H]1CCC12CCC2	2247311130	ORILSCOBMOZIQY-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H](C)[C@H]1CC12CCC2	2248283724	QLEUCTRENYBFLA-WCQYABFASA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)CCC(C)(F)F	2248846297	SVJJYPTXLBLLFF-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)c1ccc(C2CCC2)s1	2250277518	VBWPXCYXYUSDAS-NSHDSACASA-N	248.391	4.635	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCC[C@H]1CN	2250513535	HSEHJSWCRCXWAK-HOCLYGCPSA-N	237.431	4.524	0	10	BJAE	
CC[C@H]1CCCCCN1CC1CC2(CCCC2)C1	2254106866	SOFFGAPNEOGLTM-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNC1CCC2(CCC2)CC1	2254504583	JJCINOKYMFKIQK-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(N)CC1=CCCCC1	2255097883	XOXMLOUHLNVYIT-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCCCCN1CC[C@@H]1CCCC12CC2	2255251317	NYTBFAQKJAYEBQ-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCCCC[C@H]1C	2256143874	HSIHJTJQBSEBES-IUODEOHRSA-N	249.373	4.769	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cccc(C2CCC2)c1	2259435197	AIVWNRZOODOWGK-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
C[C@H](C[C@@]12CCCC[C@H]1CC2)c1ccc(N)cc1	2260653153	XCLCCMSEIPNNSC-KMFMINBZSA-N	243.394	4.733	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)CC[C@@H]1C[C@H]1C	2298497376	SIUJPAVEQXJVAG-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@@H](N)[C@H](C)CC1CCC1)C(C)(C)C	2298878317	KBODMWIJZWXYIU-BPLDGKMQSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H](N)CC1CCCCCC1	2298921695	XEBZZZGERDTNTL-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC=C([C@@](C)(O)CCCC(C)C)CC1	2300471877	LYUXGVGHYMUTII-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)CC=C(C)CC)CC1	2300902859	YMXZXHMIWCQDNF-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCCCCC2)[C@H](O)C1	2301140135	MKKLPZZUOFAQSI-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC(C)(C)[C@H]2C)c1	2302081064	XPOUTGSMNLXDBO-SWLSCSKDSA-N	231.383	4.657	0	10	BJAE	
C1=C(CCCc2cnc(C3CC3)s2)CCCC1	2302346749	KHDKQKZDNAXJNR-UHFFFAOYSA-N	247.407	4.844	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)C[C@H]1CCC(C)(C)C1	2302710146	NSEFHDNLBBFUHT-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CCCC[C@@H]2C[C@H]12	2302916609	OISWWGYUXMWWGI-ZLDLUXBVSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@H](CC)N(C)C[C@@H]1CCC(C)=C(C)C1	2303518557	AXFGPFPQZONNKG-HZPDHXFCSA-N	237.431	4.633	0	10	BJAE	
CCC1([C@H](N)CC[C@H]2CCC(C)(C)C2)CCC1	2304430634	CDOQRMOPHVDLDS-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC1(CNC)CCC(C)CC1	2307764521	YBFZELHEVJTWNY-PCKAHOCUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2307823889	QDVJNFCXCRSGSR-ZVDSWSACSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCC12CCCC2	2307824530	WPWYMUGYJPWHMF-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@@H](O)CC2(CCC2)C1	2307901706	IXAPZZXCOBSHSC-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)CCC[C@@H]1C[C@@H]1C	2310433600	YTYPIXOKFLUXGN-VBQJREDUSA-N	246.394	4.670	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@H]1CC[C@@H]2C[C@H]12	2312599142	AEJNQSMLAZDURF-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(C[C@@]12CCC[C@@H]1CC2)[C@H]1CC1(C)C	2313349024	QSOHPTKZAPMOHH-YQFWSFKMSA-N	249.442	4.501	0	10	BJAE	
C1CCCCN(C(CC2CC2)CC2CC2)CCC1	2313597832	CYKLOTYODXEFCN-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CCC2(CC2)C1	2315886043	GQPLMCUWQDDCKQ-HNNXBMFYSA-N	243.394	4.863	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C(C)C)C1CC1	2315889539	VKZZZHWPANVBAF-QGZVFWFLSA-N	245.410	4.965	0	10	BJAE	
CCC(C)=CC[C@]1(CNC2CC2)CC[C@@H](CC)C1	2316492743	UVKDYUJZHLFDHC-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1c(C)cccc1F	2316511510	TUYVYDAVBGHQFD-OAHLLOKOSA-N	249.373	4.531	0	10	BJAE	
CNC[C@@]1(CC2CCCCCC2)CC=CC[C@H]1C	2316936703	FXUIDBICVRDTGQ-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N[C@H]1C[C@@H](C)c2ccccc21	2317631423	XFEKCOVTUIAHQL-FHIRATQRSA-N	245.410	4.505	0	10	BJAE	
C[C@@H]1[C@@H](N[C@H]2CCCC23CCCCC3)CC1(C)C	2318174842	IEUYBVAEFLXSOT-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H]1CC(C)(C)[C@@H]1C	2318259874	VKDJEJHBGNFZJS-DOMZBBRYSA-N	244.378	4.504	0	10	BJAE	
Cc1cc(F)cc(NCCCC2=CCCCC2)c1	2318551783	SBVFUYRIPMPLDK-UHFFFAOYSA-N	247.357	4.827	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)CC12CCCCC2	2318570090	VLPKSSUILSCDLH-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CN(CCCC1=CCCCC1)[C@H]1CCC2(CC2)C1	2318599785	ZADUDCLYGSQFTE-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@@H]1C)C1=CCC(C)(C)CC1	2318937241	XNCUDKTYFWLNFC-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN[C@@H]1CCCC12CCCC2	2318975494	BPVUNCHJXAQXPR-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC2(N)C[C@@H]3CCCC[C@H]3C2)C1	2319030061	MBUCQKAFJSTZRT-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(N)C=CCCC2(C)C)CC1	2320330287	KUFMXYMFEMPARI-RDJZCZTQSA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(N)CCCCC2(C)C)CC1	2320388235	OBLVPFACSYAITK-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCC1(C[C@H](N)c2cccc(C3CCC3)c2)CC1	2320657049	JCLBYBYYDCJZBN-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N(C)Cc1cccc(C(C)C)c1	2320657059	JHGJEDARNBMJDW-HUUCEWRRSA-N	247.426	4.676	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CC(C)(C)C2(C)C)c1	2321083843	UOKSYMRORQYBPS-AWEZNQCLSA-N	249.373	4.625	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C12CC(CC(C)C)(C1)C2	2321590341	RTZDODIOLYIQFP-VXLLPVPCSA-N	249.442	4.501	0	10	BJAE	
CC(=CC[C@H]1CCC(C)(C)C1)c1cccc(N)c1	2321634846	VTNRFUWEFRFBNR-AWEZNQCLSA-N	243.394	4.889	0	10	BJAE	
CC(C)[C@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1	20523086	GSYBWLYTUGDQSG-KBPBESRZSA-N	247.426	4.679	0	10	BJAE	
CCc1ccccc1N[C@H](C)c1cccc(F)c1	21516372	FOGMEWRZTSYWRA-GFCCVEGCSA-N	243.325	4.561	0	10	BJAE	
CCCC(CCC)Nc1cccc2cnccc12	36954025	NOASLXRPSAIJHW-UHFFFAOYSA-N	242.366	4.616	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cccc(Cl)c2C)C1	70747784	IPNPEIRPYUOXBL-RYUDHWBXSA-N	237.774	4.639	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@@H]1CCC[C@@H](CC)C1	71112551	CPTRUWUTXYTNAQ-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C3CC3)C2)cc1C	81623917	NUZJMRAQYLPSBK-CVEARBPZSA-N	243.394	4.684	0	10	BJAE	
Fc1ccccc1-c1cccc2ccccc12	82051108	XUTVPUGWMPRSFN-UHFFFAOYSA-N	222.262	4.646	0	10	BJAE	
CCCCC1CCC(N)(C[C@H](C)CCC)CC1	86566075	RDVQOKMQVFCJAR-QQFBHYJXSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](O)c1cc2cc(C(C)(C)C)ccc2o1	88072354	KFPJUVZNLVBAIT-CYBMUJFWSA-N	246.350	4.564	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC(CC(C)C)CC(C)C	88293213	SGHOUAGPPRNQCI-LSDHHAIUSA-N	241.463	4.862	0	10	BJAE	
CCCc1ccccc1NC[C@H]1CCC[C@H](C)C1	89606393	SXCKDDLGPZAHIU-GJZGRUSLSA-N	245.410	4.877	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](CC)CC[C@@H]1N	109662028	HGVJLRNLOSPHNX-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cccc2ccccc12	109711041	JHNROIDTDORBJS-CYBMUJFWSA-N	240.346	4.849	0	10	BJAE	
CCC(CC)[C@H](NCC(C)(C)C)c1ccccc1	109888162	IKEJWRRAIZLUOJ-INIZCTEOSA-N	247.426	4.800	0	10	BJAE	
CC1(C)CCc2ccc(C(C)(C)C)cc2C(=O)C1	110268237	LZZGMWYULJJYCQ-UHFFFAOYSA-N	244.378	4.529	0	10	BJAE	
CCCNC[C@H](CC(CC)CC)c1ccccc1	125460229	NFZKCFZKRFHYAE-KRWDZBQOSA-N	247.426	4.596	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCC)c1ccsc1	129220624	JCMLVUSNPYJENC-TZMCWYRMSA-N	239.428	4.615	0	10	BJAE	
CC(C)Cc1cccc([C@H]2CCCCC(=O)C2)c1	166176214	KIHPWVGYAZMHJV-INIZCTEOSA-N	244.378	4.502	0	10	BJAE	
CC(C)C[C@@H](CNC(C)(C)C)C1CCCCC1	167926086	PUVPDCYVSHWUNZ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C)c1-c1nc2ccccc2s1	169609500	HCYRFNANSDRUSR-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CCC1CCC(C(=O)CC2CCCCC2)CC1	203531810	PLTDHMSANRNDBH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCC[C@@H](C)[C@@H]1C	221690909	SNMXORDIHOSSAO-QXSJWSMHSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1c(C)cccc1F	224936890	XKBGLPLGSSKYSU-YPMHNXCESA-N	237.362	4.761	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)c1cccc(C)c1	229302550	MAKQFYWGFANREA-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@H](c1cc(C)cc(C)c1)[C@@H](C)CCC	229498523	XXBOGCRIYXRILT-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
CCC(C)(CC)Nc1nc2c(C)cccc2s1	230965571	BZRPMBNFXLFVSA-UHFFFAOYSA-N	248.395	4.595	0	10	BJAE	
CC(C)C1CC(Nc2ccccc2C(C)(C)C)C1	232541613	JYOLKQBMEOUFBC-UHFFFAOYSA-N	245.410	4.831	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@H](C)c1ccccc1	232966817	VRICPBFVTDNRHT-DOTOQJQBSA-N	247.426	4.739	0	10	BJAE	
CCCNC[C@@H](C1=CCCCC1)[C@@H](C)CCC	233084298	RHCSEODGJKACNY-GOEBONIOSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H](CC1CCCCC1)c1c(C)cccc1C	234417112	ZQINZMUJAXFHRV-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1NCC	251345422	MVCXWXHQDPHCSE-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(c2ccc(C(C)(C)O)cc2)CC1	258350849	NVHZKUOACJDBGB-UHFFFAOYSA-N	246.394	4.598	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)C1CCCCCCC1	300470134	USJFEYFUQRZRGK-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CCC)NCCC1CCCC1	300764174	OILQSILJGWROSM-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCc1ccc([C@](C)(N)CCCC(C)(C)C)cc1	302245554	AJKDCPIPBCKDCG-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](CCCCCF)C1	304386205	LQDPJTSLBWPYRR-QWHCGFSZSA-N	242.378	4.548	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC(C)C)c1ccccc1	305950155	MWVSWDOKQPWWON-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
CSc1csc2cc(C)cc(Cl)c12	306738998	SAQHGCBELDLLSL-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Fc1csc2cc(Cl)cc(C(F)F)c12	306824477	VZJCHJGSRWREGU-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCCNC[C@@]1(CCC(C)(C)C)CC=CCC1	316907969	VAWJAUDIUJFWGO-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)CC1(CNC(C)C)CCCCCC1	317798893	YRFAITFCBANEHO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@H](C)C[C@@H]1CCNc2ccccc21	319549378	GMVUTAFEVDYJCV-MJBXVCDLSA-N	231.383	4.658	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@H](C)C(C)C	319658506	PTNFMNDJZNJZNM-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)c(C)c1)C1CCC1	322492967	YZENGDNRCRWNDX-MRXNPFEDSA-N	231.383	4.684	0	10	BJAE	
CCC(C)(C)[C@@H](CC/C=C\c1ccccc1)NC	324102542	CUZPEGDEGSFSSJ-RCBBPTIPSA-N	245.410	4.504	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)[C@@H](C)C(C)C	383380966	MBLGLESCHWUCHO-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@@H]1CCCC(C)(C)C	384533171	VGBUXBOKWJMAJW-DZGCQCFKSA-N	245.410	4.876	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1c(F)cccc1Cl	384660187	VVHVOYCSVSFRCP-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CC/C=C/CN[C@@H](CCCCC)c1ccccc1	384982776	JQTLKFNSTQSTGK-CEUCYRDJSA-N	245.410	4.864	0	10	BJAE	
C1CCC(CCN[C@@H]2CCCC23CCCC3)CC1	385866755	XWPGXENWSSZXLJ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
Cc1ccccc1[C@H](C)NCC(C)(C)CC(C)C	391177007	IQCYXCODUDXFDG-HNNXBMFYSA-N	247.426	4.718	0	10	BJAE	
CC[C@H](NCC1(C)CCCCCC1)C1CCC1	394601645	DFUIAVMBKOTBEQ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CNC[C@@H]1CCCC[C@H]1CCCCCC(C)C	394829905	TUWPQRQBZKJQEZ-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CCC1CCCC1	395150327	NQAWZRBFLOWHRS-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CSc1ccc(F)c2cc(C(F)F)sc12	396234937	GZZZZNJZHCDCRY-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCOc1ccc2scc(C(F)F)c2c1C	396243494	NLSCHDLDHZEGOF-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
COc1cc2c(Cl)csc2cc1C(F)F	396288528	MFERJSIKOUTEFD-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCCCCC[C@@](O)(CCC)[C@H]1CC1(C)C	397736124	GRXVOYHQTLVYOW-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCc1ccc(C(=O)[C@H](C)C(C)(C)C)cc1CC	399042493	RYWFVDAGHNVOTA-LBPRGKRZSA-N	246.394	4.676	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)C(C)(C)C1CCC1	402358285	OLULJEGMTFSXSU-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C1(CCC)CCC1	686920717	HJCZNEYJWNIHES-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CCCC1([C@H](O)[C@H]2CCCC[C@H]2CC)CCC1	686922530	YCRATWJKWGJOET-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(CN[C@H](C)CCC(C)(C)C)CCC1	687270146	WJNCOBPNLUSYIZ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC1(/C=C(\CNC(C)(C)C)C2CCCCC2)CC1	687312549	IMVADGOFEVUZDC-NTCAYCPXSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C)(C)CC(CN)([C@H]2C=CCCC2)C1	688296140	KYBIFJBFHCSNCM-AWEZNQCLSA-N	249.442	4.524	0	10	BJAE	
CCCCCC[C@H](N)c1cccc(C(C)C)c1	688897747	FFJZYBXAYJKPCH-INIZCTEOSA-N	233.399	4.780	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCCCC[C@H]1C	691083214	UOSXRYQTAWNEGR-RISCZKNCSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](CC)CC1(CN)CC2(CCC2)C1	691427897	CDKFYQFIXUXIIM-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
C[C@@H](CC1(CN)CC2(CCC2)C1)C1CCCCC1	691441487	QVWKLFCDKZKGHL-AWEZNQCLSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC(C)(C)CC	696164193	PXIDRZBJZIXLML-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1CCC(C)(C)CC1	696803529	RLKFGIDTWCTWLV-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCCNC[C@H](C[C@H](C)CC)C1CCCCC1	696836484	JFIYZFPVFZWIMF-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCC[C@@H]1CCCC[C@@H]1CNC(C)C	697774376	NDWYOFXVKGJNSC-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCc1ccc(C(F)(F)F)cc1	697992709	PHNWDZVQHAMGSC-UHFFFAOYSA-N	228.257	4.604	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CNCC)CC1(C)C	702161326	CZZHRCABVGQPTB-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
c1ccc(-c2cccc(NC[C@@H]3CC34CC4)c2)cc1	707861829	SSBXBHZNMQLILY-INIZCTEOSA-N	249.357	4.566	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1Nc1ccc(Cl)cc1	709174360	HZEJALXDRPLJJB-RISCZKNCSA-N	237.774	4.721	0	10	BJAE	
CCN[C@@H](C[C@@H](CC)C(C)(C)C)c1ccccc1	711054946	RCFAMJQNOQZMNS-CVEARBPZSA-N	247.426	4.800	0	10	BJAE	
CC[C@@H](C[C@@H](NC)c1ccc(C)cc1)C(C)(C)C	711055711	VBFLOPSIQWXCIV-JKSUJKDBSA-N	247.426	4.718	0	10	BJAE	
CCC1CCC([C@@H]2CC[C@@H]3CCCC[C@H]3N2)CC1	712298103	BVVGDXHISJZJQG-VNPUNGKLSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@](CNC(C)(C)C)(CC(C)(C)C)C1	713320549	XKVTXRRWPBSGLE-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@]1(CNC(C)(C)C)CCC[C@H]1C	713741524	XUHBCKNHEBQDDT-IBCRXROYSA-N	249.442	4.703	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC[C@@H]2C[C@H]2C2CC2)C1	714836028	LGLIGJNGSSOHGO-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
N[C@H](c1ccc(C2CC2)s1)C1CCCCCC1	716565247	IUFXOMABYSHSJC-HNNXBMFYSA-N	249.423	4.596	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)(C)C)C1(C)CCC1	720706799	GJVKBFSFFYWWFU-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C[C@@H](O)C2(C)CCCCCC2)C1	723578409	GTOAEAXEFCSZEE-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(CSC/C(C)=C/Cl)cc1	1641086671	DCIJVOVJAXOLJG-DHZHZOJOSA-N	240.799	4.625	0	10	BJAE	
Cc1cccc(NC2CCC3(CCC3)CC2)c1F	1662040095	XLCIDPHAXKRYMW-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CCCc1ccc(-c2cc(=S)c(C)c[nH]2)s1	1900661680	HMNJREPXWMFMCQ-UHFFFAOYSA-N	249.404	4.734	0	10	BJAE	
CCC(CC)CC[C@@H]1CC(=O)C[C@H](CC)C1	1900693750	QYVQBVAIBRMWBT-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CC[C@@H](NC)c1cscc1C	1900696396	JKNZQLFLLLXPBG-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CCc1coc2c(Cl)cc(Cl)c(Cl)c12	1907220530	GABMJLHZKJEMNS-UHFFFAOYSA-N	249.524	4.955	0	10	BJAE	
CC(=CCCNC(C)C)CC1CCC(C)CC1	1911535095	HLEWMCJTKDDDMV-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC1(CNC2CC3(CCCCC3)C2)CCCC1	1912710202	GBQUFIGWZIBTIB-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
Cc1cc(C)c(NC2CC3(CCCC3)C2)c(C)c1	1912726340	MMNIFOILAIICPA-UHFFFAOYSA-N	243.394	4.747	0	10	BJAE	
CC(C)[C@H](C)[C@@H]1CCCCCCCCC1=O	1913411187	MLKGRWHRIFFLRD-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCCNC[C@]1([C@@H]2CCCC[C@@H]2C)C=CCCC1	1916570311	ZEVSNFZLRARNAH-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC(NC[C@H]2C=CCCCC2)CC1	1925941823	BBGAWUGFNULOSL-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCC(F)(F)CCC[C@@H]1C=CCCC1	1932979757	CYAXEQMJIUUWMH-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CCCCCC1CC1	1936414325	DJCMIWWSUFCYAY-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCc1cc(C(=O)[C@@H](C)CC(C)(C)C)cs1	1936770954	JGVGEQBSXXADDK-JTQLQIEISA-N	238.396	4.566	0	10	BJAE	
CC[C@H](C)CC1(N)CCCCCCCCC1	1938723430	ZRYHWBGHJDRQRH-AWEZNQCLSA-N	225.420	4.645	0	10	BJAE	
CC[C@H](C(=O)CC(C)(C)C(F)(F)CC)C(C)C	1941266109	ZVYUKNXFUJNQCR-NSHDSACASA-N	248.357	4.699	0	10	BJAE	
CC(C)=CC[C@@]1(CNC(C)C)CCCC1(C)C	1944475477	MAYVUXZAVMFREE-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1cccc2sccc12	1945947797	PNSIRWPUPJWTJF-IAQYHMDHSA-N	247.407	4.598	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H]2C(C)C)cc1C	1947461827	KAYLLHDTSCFIQZ-HZPDHXFCSA-N	231.383	4.540	0	10	BJAE	
CC(C)(C)CCNC1CCCCCCCCC1	1947879097	BDQXTBVZBFSBBN-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCC1(C)CC([C@@H](O)C[C@@H](C)CC(C)(C)C)C1	1948412635	GOLHPVAYSJNWIM-RXFTYZNJSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1949059902	IGJMHOSVKJVSPL-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H](C(C)(C)CCNC(C)(C)C)C1	1949530278	MMMNHIJEDSGGCX-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CNC[C@@]1(CCC(C)(C)C)CCC[C@H](C)CC1	1950931847	ZSCGYYOGTHXBJB-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(OC(C)C)cc1	1951309159	VXXITOCZFIYQSB-CQSZACIVSA-N	232.367	4.934	0	10	BJAE	
CC(C)CC[C@H](C)N1CCC[C@@H](C(C)C)CC1	1962920165	AYHDJQJBWRUONM-JKSUJKDBSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCC[C@@H]2C2CC2)CC1	1966050331	ZMGSVXUBOGIVHP-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCc2ccccc2N1C[C@H](C)C(C)(C)C	1968431267	YJKRPFHWIWIHNQ-KBPBESRZSA-N	245.410	4.510	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)c1cc(C)cc(C)c1	1973167746	BXPNXJFTSLHGEG-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CCC1(C)CC(N[C@@H](C)c2cc(C)ccc2C)C1	1973590242	LUUXVGSKQKVLAH-UQPPLGOBSA-N	245.410	4.533	0	10	BJAE	
Cc1cc(C(=O)C2(C)CCCCCC2)cs1	1978450386	OTEKPJBCHIYLDQ-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCCC1(CC[C@H](O)c2cccs2)CCC1	1988457666	PPZOPNGIWMNXMP-LBPRGKRZSA-N	238.396	4.532	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H](C)CC(C)C	1988780168	HQOBRBRYNDOHSG-GJZGRUSLSA-N	225.420	4.523	0	10	BJAE	
CCCCC[C@@](O)(CC)CCC(C)=C(C)C	1990092701	CNRAISHLKLMCOQ-HNNXBMFYSA-N	226.404	4.844	0	10	BJAE	
CC(C)[C@H](C)[C@]1(O)CCCC2(CCCCC2)C1	1996646726	FWGRNQAOKHXYBR-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NCC)[C@]1(C)CC=CCC1	1997552442	RDFGXSHPXLOYQI-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H]1CCC=CCCC1	2000001028	HWSFZOLIEFXLTJ-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CCCC1(C(=O)C[C@H]2C=CCCCC2)CCC1	2000189119	RAWPHGKSPNGBOQ-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H](C)CC(C)(C)C)CCC1	2000192609	XDIWPTGNAZQWBZ-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@H]1CCC[C@H]1C)NC	2000336709	UTBRCBKXQVGFMK-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(CN)CCCC(C)(C)C1	2002984720	PYNZOUMRWGIWPZ-MRXNPFEDSA-N	239.447	4.604	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2CC=CCC2)C1	2002990353	ICCHHPXYBLKPGX-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H]1CC[C@H](C)CC1	2004226141	GWSMHGARZPTSIA-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CNCC1CCC=CCC1	2004711374	JBIGQEFPWDBHEG-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCCC12CC2)C(C)(C)C	2005564668	QHUOPRMRSHXEFZ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@H](NCCC)C1CCC(C)(C)CC1	2007865008	XSXWBDUSCNPXNV-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C1(CCC)CC1	2009550245	ZCCDDKQWQBVYHQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@H]1CCCCC1(C)C	2009592960	YRBWZJIKRLXGNG-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CCCCCC2(C)C	2009768748	JWOZNVZRVLMMPF-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)c1cccs1	2010624011	PWKDDDARDAOOHI-IUODEOHRSA-N	249.423	4.535	0	10	BJAE	
CC(C)CC[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2010715607	UJYHWAXRBVVHMG-GJZGRUSLSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)C1=CCC(C)(C)CC1	2010745137	XQMSXNJHEYAGSY-CZUORRHYSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCCCC[C@@H]1C[C@@H](N)CC(C)(C)C1	2012058847	KKNUIXBBVPMFLR-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@@H]1CCCC[C@H]1C	2013265665	YIRBFMRTTVCSBQ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@H]1CCC1(C)C	2014862197	OBBXPSRQQAIUFQ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@H](C)CCCC(C(C)C)C(C)C	2015344649	LMLWFHQNSPCUGA-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CC(C)C(CCN(C)C1(C)CCCC1)C(C)C	2015389081	SKNLGYCCXGQZHA-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCCC1(C[C@@](C)(O)[C@@H](C)CC(C)C)CCC1	2015632071	BGNBTCBXRQFTBY-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(NC[C@]23CCC[C@@H]2C3)cc(C)c1Cl	2016322839	CUZGLKUYQOHYHD-IUODEOHRSA-N	249.785	4.559	0	10	BJAE	
CC1(C)CCC[C@](C)(NCCCC2CCC2)C1	2017612512	JABYVIUXVBAKQK-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C(C)C)[C@H](C)O)CC1	2017712400	OAVCJJKDAIFCEH-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@H]1CC[C@H](CC)CC1	2017724828	ZPLGPEWOBRYSQA-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C(C)C)C1CCC1	2018128180	WRPZXSLHIXFJDE-CVEARBPZSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](CC)C1CCCC1	2018130671	PJIQWFOLKQSYRM-HOTGVXAUSA-N	239.447	4.904	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCC[C@@H](C)CC2)CC1	2018925614	UZKZXPFVDSHNSF-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCC)[C@H]1C[C@@H]1CC	2022260157	YGPZHIIMICYYLX-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C(=O)C[C@H]1C[C@@H]1C1CCCCC1	2022557452	OJVYJFWIMTWBCV-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCC(=O)c1cc(C)cc(C)c1C	2024070125	HRGPZGZVPWOBFT-AATRIKPKSA-N	230.351	4.541	0	10	BJAE	
CC[C@](CN)(C[C@@H]1CCCC(C)(C)C1)C(C)C	2024089174	NJEAZKNPEYTPSR-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
CC(F)(F)CCCC[C@@H]1CC(C)(C)CCC1=O	2024125898	USRKYVMAYBSNKU-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1C[C@H]2CCC[C@H]1C2	2026243932	QAQRVCQFWMFROM-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)c(C)c1	2027794800	ZTHJBAUQLJMRMV-GKLJAUDBSA-N	245.410	4.786	0	10	BJAE	
Cc1ccc([C@@H](O)[C@@H](CC(C)C)C(C)C)c(C)c1	2028239994	IVIIKROEAVFKTG-DLBZAZTESA-N	248.410	4.655	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)c1cccc(CC)c1	2028252802	QZRRKGQXEQNACR-IAGOWNOFSA-N	247.426	4.582	0	10	BJAE	
Cc1cccc(C)c1C(=O)CCCCCC1CC1	2028626681	VWPAOGXYHQKWOI-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
NC1(CCC2CCCC2)CC(C2CCCCC2)C1	2033783376	LYEROPDANHESEY-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@H]1N[C@H]1C=CCCCCC1	2035427617	DTPUDITZEGBYFL-YYIAUSFCSA-N	249.442	4.536	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@H]1CC12CCCC2	2036120390	ARKXPFARRNMTGT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C1CC(C)(C)C1	2036312398	CDCHCOHNSCHZCG-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCC[C@](N)(C1=CCCCCCC1)[C@H]1CC1(C)C	2037074955	DCDAFIKYBCADHS-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H]1C[C@H]2C=C[C@H]1CC2	2037159376	NGZIJFXEQRPNHV-MWDXBVQZSA-N	249.442	4.667	0	10	BJAE	
CCCc1ccc([C@H]2CCC(C)(C)C(=O)C2)cc1	2037859589	ZNEDWBQSEPIVHV-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CCCC[C@@]12CCNC2	2038649723	OFAXRLRCPKILFG-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CCCCC[C@H](N[C@@H]1[C@@H](C)[C@H]1C)c1ccccc1	2043300147	FXVSXSRTMWDKPK-HDEZJCGLSA-N	245.410	4.552	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CC(=O)CCCC1CC1	2045609737	JEXLNAAMMHXIQQ-DZKIICNBSA-N	248.410	4.598	0	10	BJAE	
CCN(C[C@H]1CCC=CCCC1)C1CCCCC1	2046568376	MLLBRLIWLPVVQE-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CCC3(CCCCC3)CC2)C1	2046578826	INTBYVBFSYMJCM-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@H]1CC12CCCCC2	2047006801	DJJXSAQTBADXRX-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CNC[C@@]1(C[C@@H]2C=CCCC2)CCCC(C)(C)C1	2049507904	DQXSCBDCVYBORA-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2NCC23CCCCCC3)C1	2049509110	QFMPDPPCOWDIOQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C[C@H]2C=CCCCC2)C1	2049538270	XVPPELBXSPRODR-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)CC1(C)CCCC1	2049792904	IQIASDSQIGMERG-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)C[C@H]2CCCC3(CC3)C2)CC1	2049859670	QWQOMHYEQWEPRH-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC1(C)C)[C@@]1(C)C=CCCC1	2049997045	KWYNERMIVPTPDB-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1=CCCCCCC1)c1cccc(F)c1	2050495982	ZVWFJOXKNFTSPA-UHFFFAOYSA-N	246.325	4.679	0	10	BJAE	
CC(C)(C)NC[C@@]1(C2CC2)CCCCC12CCC2	2053355780	JUAIHUNKDRLNAJ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@@H]1CCCCC12CC2	2053412650	PYWDLXXTQUHZMS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CCC1)[C@@H]1CCCCC12CCC2	2053413461	XJPUBCVWAPUSFH-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC=C[C@H]1NCC1CCCCCCC1	2055533712	WMUWYWYJUZLOLE-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1CC(C2CCC2)C1	2056683848	ZINMQWDZFVEELD-OFLPRAFFSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCC[C@@H](NCC)c1ccc(C)cc1	2059246736	HHYQISNCOSUKTC-UKINESCASA-N	245.410	4.782	0	10	BJAE	
CC1=CCCC[C@@]1(N)C1=CC[C@H](C(C)(C)C)CC1	2061120380	XDAYTOAJMJUFSQ-YOEHRIQHSA-N	247.426	4.587	0	10	BJAE	
C=C=CCC[C@@]1(CNCC(C)C)CC[C@H](CC)C1	2061565791	GHKJRMRTLZZVST-DLBZAZTESA-N	249.442	4.550	0	10	BJAE	
C[C@@H](CC(=O)CC1CC2(C1)CC(C)(C)C2)C1CC1	2063210577	GRONZWMQJYABKM-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCCC1)NCC12CCC(CC1)CC2	2065260314	WSVLWXKZWWRNPA-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@@]3(C)C[C@@H]23)cc1	2065658550	UGWHSJNNUFLMSK-SJWGOKEGSA-N	243.394	4.801	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)c1cc(C)c(C)o1	2068907565	MFBUUWYEQHTLPV-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCC1(CC2CC2)CCC1	2069508003	YZHBRSXTQUERFM-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(N)(C1CCCC1)C1CCCC1	2070964137	UBPQLIUYGUQQAP-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)C[C@H]1C[C@@H]1C	2071503754	JMFQZLSJVRDSOM-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C(=O)C2(C(C)(C)C)CCC2)ccc1F	2071927185	XQEUEEFYIOEONU-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CN[C@H](C(C)=C(C)C)c1ccccc1CC(C)C	2072421879	AUVPNUBAKBWGMW-QGZVFWFLSA-N	245.410	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)C1CCC2(CC1)CC2	2074896144	NLLRCBSFUQTZKO-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
C[C@H](Nc1ccccc1C1CCC1)C1CCCC1	2077264004	HTNXRKGWMXNVES-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@@H]2C2CCC2)CCCCCC1	2079327107	DSVMKIMIMWIMOF-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2C[C@H]2C2CCC2)CC1	2079423621	ICBLIDPWEFRKHB-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](NCC)C1=CCCCCCC1	2079445683	ZAUQBCFVNKCGPD-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN[C@@H]1CCC2(CCCCC2)C1	2079451456	QOJUXELAACXDIW-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
N[C@@H]1CCCCC[C@@H]1C[C@H]1C[C@H]1C1CCCCC1	2079672917	ZINGEKZNAUVCFI-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@H]1C[C@H]1C1CCCC1	2079726736	VFPXYBBAHUKHJQ-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2C[C@@H]2C(C)C)cc1	2079810400	BLIRAUMYHVQXER-JLJPHGGASA-N	246.394	4.871	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@H]1C[C@@H]1C1CCCCC1	2079830726	FDGXSGWKTIDWEQ-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CCC1CC(C[C@H](N)CC23CCC(CC2)CC3)C1	2084994634	NWDYEGUDOBDOTB-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
Cc1c(Cl)cccc1NC1CC(CC2CC2)C1	2213381066	XKXJBPRKSTXKPK-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc(OCCCCCCC2CC2)cc1	2213578295	KKHCLLJZNIXJII-UHFFFAOYSA-N	232.367	4.734	0	10	BJAE	
C[C@H]1CCCC[C@@H]1n1ccc2cccc(F)c21	2214770060	WXGCMYFQLZAKDZ-FZMZJTMJSA-N	231.314	4.532	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@H]2CC[C@@H]2C)CC1	2215091962	CUYFJYCGNVTVMK-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@@H]1CC)CC(C)(C)C	2215252394	QBRZUPUYMLYBOU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(F)F)CCC(C)(C)CC	2216406970	CTSPEIOFFPIMEH-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCN(CCCCCCCC1CC1)C1CCC1	2216859788	KEBNDNNDFKFQDD-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC1(N)CC(=CCCCCCCC2CC2)C1	2216880298	SYZZNMKOTANDGQ-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCCC1CC(CN[C@@H](C)CC)([C@H](C)CC)C1	2217155413	CDEAMGYNPWUWBC-QVOMUQBLSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CC1C[C@H]2CCC[C@H](C1)C2)C1CCCCC1	2218327714	MGUKPFGVUXHCMK-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
O=C(CCCC1CCC1)C1C[C@H]2CCC[C@H](C1)C2	2218333440	KMEZPINFSVOQHH-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCCCC=C1CCC[C@H]2CNCC[C@@H]12	2218416719	LGNRBPBNOCDIDZ-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](NC1CC(CC2CC2)C1)C1CCCCCC1	2218493444	HBEVJWHICPMJSS-BZOOQXSSSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1C[C@@H]2CC[C@@H]2C1	2218730836	KICRGMHAQBKWBM-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)ccc1NC1CCC(C2CC2)CC1	2218892924	BTKKNZVLKNZULN-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC[C@](C)(CCCC(C)C)Oc1ccccc1N	2218950853	QCGFSKONXJDWFQ-MRXNPFEDSA-N	249.398	4.643	0	10	BJAE	
C[C@H]1C[C@H](C(=O)C2(C)CC3(CCC3)C2)CC[C@H]1C	2221007119	ZOTILGSBMCGIBY-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)(CNC2CCC(C)(C)CC2)CC1	2221642926	KQZKBLLCLFCXJZ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCCCC(=O)CC[C@@H]1CCC[C@@H](C)C1	2242762108	JBVFMSWVWMOBOO-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
CCCCCC[C@@H](N)c1csc(C2CC2)c1	2243488240	OIDAJGGRFSABNT-CYBMUJFWSA-N	237.412	4.596	0	10	BJAE	
CC(C)=C(C)CCC(=O)CCC1CC(C)C1	2245505303	AMJSTGQROJSKGY-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCC1CC(CC(=O)CCCC[C@@H]2C[C@@H]2C)C1	2247174738	HNCKJBSITQSXPW-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1CCC12CCC2	2247440375	LGJJRNHZOAWPIM-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](CC1=CCCCC1)NCC	2247508102	ZKQCHAVTUUCNSS-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)CC1=CCCCC1	2247515398	XVJKYAZOTOZEQA-HZPDHXFCSA-N	238.415	4.556	0	10	BJAE	
CCCCN(CC1=CCCCC1)C1CCCC1	2247524657	JCHFTKSXOIFFBL-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCC(CC)CC(=O)CC[C@@H]1CCCC12CC2	2247637819	BRZLTWPZUCDHRC-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(N[C@@H](C)c2ccsc2)cc(C)c1C	2249495743	FQMNUPYPGHYIDV-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CCC[C@](O)(C[C@@]12CCC[C@@H]1CC2)C(C)(C)C	2251214963	IAARZYMYJMLJJP-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCC(C)(C)C2=O)CC1	2251725195	UBTSQOYRWZZOIY-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(CC2(N)C[C@H]3CCCCC[C@@H]3C2)C1	2253682782	INAQZTQTXHOZGL-LVDPKSTMSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(=O)CC[C@@H]2CCCCC23CC3)co1	2253861158	CZOMPBWYHQYWOQ-AWEZNQCLSA-N	246.350	4.521	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@]2(C)CC=CCC2)C1	2253938840	OKOTYJUVKZPLLU-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CC[C@@](N)(CC[C@H]1CCCC12CC2)C1CCCC1	2255328730	HABBKIBNAQDPGF-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CNc1cc(C2CC2)ccc1F)C(C)(C)C	2259126557	NGPRMMAZDSCNSM-LLVKDONJSA-N	249.373	4.797	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@@]12CCCC[C@@H]1CC2	2260532630	DHKUDNXBIVMZGW-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@@]12CCCC[C@@H]1CC2	2260654616	AAPZFOKSVHVHCD-INMHGKMJSA-N	248.410	4.886	0	10	BJAE	
CCC1(C[C@H]2CCNc3ccc(F)cc32)CCC1	2261337534	GQTSNJBRHDDTFF-GFCCVEGCSA-N	247.357	4.695	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298417001	IUNYXJHBTFDXBB-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1cc(F)cc(F)c1	2298841662	JMEJQQFOEWUGJH-NSHDSACASA-N	241.325	4.592	0	10	BJAE	
CC(C)CCC[C@@H](C)NCCCC1CCCC1	2298842216	SAFDQZMPPRMNJM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@](C)(O)C1C[C@H](C)C[C@@H](C)C1	2300506536	AAQFAHHUJYHGIP-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H]1CCCC12CCC2	2300704350	QGUMLITWFLNWLL-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]1CC[C@H](CC2CCCCCC2)C1	2301142580	KMVJCXIDQUJUJR-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)[C@@H](C)S[C@H](C)C3	2301730570	SALJLMJGTXSGEC-GHMZBOCLSA-N	245.391	4.524	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@@H](C)[C@H](C)C(C)C	2301954034	VXYOHCYOYBBAIV-FZKCQIBNSA-N	242.447	4.882	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@@H]1CCC(C)=C(C)C1	2303577670	QIDXZAIYMPRMSD-IMJJTQAJSA-N	237.431	4.667	0	10	BJAE	
CC[C@@](O)(CC[C@@H]1CCC(C)(C)C1)C1CCC1	2304400428	WGOSBUSYGRZVGR-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CC1(CNC(C)C)CCCC1	2307763713	OUYQIXGLTPTNEY-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CC[C@H](N)CC1CCCCC1	2307901803	ZOHFRLQAEOWBHZ-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@H](CCC)C(C)C	2307905847	ZWURFQYQPWFIPU-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309180572	FXHGRCLMFSLMIE-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C)CC1)[C@@H]1C[C@H]1CCC	2311517775	XVZIKFGYSOCSHD-SVGFKBNWSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2311609121	MGGFKYYIEPRVEV-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCc2cc([C@@H](C)CC3CCC3)ccc2N1	2313641339	IVZICBVLENHXCH-STQMWFEESA-N	243.394	4.727	0	10	BJAE	
CCc1cc(C(=O)CC2CC(C)(C)C2)ccc1C	2314689858	NTPSXHIOQVLGLX-UHFFFAOYSA-N	244.378	4.566	0	10	BJAE	
CCc1cc(C(=O)[C@@H](C)CC(C)(C)C)ccc1C	2314714223	XYCWTWVXLULVTE-ZDUSSCGKSA-N	246.394	4.812	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CCC[C@H]1C	2315871020	OLWIGVJRKDUSDS-CJNGLKHVSA-N	245.410	4.967	0	10	BJAE	
CC(=CCN[C@@H]1CCCC=C1C)CCCC(C)C	2316493377	WMVOLMIJGCHVGG-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CC(=CCN[C@H]1C=CCC[C@H]1C)CCCC(C)C	2316498554	CWPONOYTLGWYLW-SJORKVTESA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1N[C@H]1CCCC2(CCCCC2)C1	2316583601	BWCJDDVILQBPML-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1[C@@H](O)CCC1CCCCCC1	2316970762	IMOMISKRWIWVBV-KRWDZBQOSA-N	246.394	4.779	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1CC[C@@H]1C1CC1	2319581329	PFFRKLIGSLTDSW-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CN[C@@H]1C=CCCCCC1	2320161550	XVTXIURTOPVPEV-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)[C@@H]2CC[C@H]2C(C)(C)C)CC1	2320224882	VRYRYEXNPNDCOK-LCGIIJARSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)C[C@]12CCC[C@@H]1C2	2320227441	ZGFYOQXXSCUGGA-TZDHZFECSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(N)CC12CCCCC2	2320242135	ZUOQNHDRCRBBQG-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C=C(C)[C@H]2CC[C@H](N)CC2)CC1	2320326809	IBRQOTUSNKBMFW-BRWVUGGUSA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2320406065	JTKYEJUQOPSZCF-WCVJEAGWSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@H](NC2CCC3(CCC3)CC2)CC1	2320413880	PODNTKIKPVDLHD-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@H]2CCC[C@@H]2C)c1	2320514800	INCYFEXTQZOPPA-YSVLISHTSA-N	245.410	4.636	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@@H]2CC23CCCC3)C1	2321605168	JKLJLTQQBQPSGF-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
C=C=CC[C@@H](NCC)c1cc(C)ccc1C(C)C	2327784258	MQSCEWJJVRUOTL-QGZVFWFLSA-N	243.394	4.500	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)c1cc(C)ccc1C	2328283664	ZHROKOVJKYSUNB-NVXWUHKLSA-N	247.426	4.694	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cc(F)ccc1F	21055811	LLACCLMPKORUGF-CMPLNLGQSA-N	241.325	4.592	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](CC(C)C)NC)cc1	35469185	UGDJORAQPGYPLQ-XJKSGUPXSA-N	233.399	4.507	0	10	BJAE	
CCC[C@H](NC[C@H]1CC=CCC1)c1cccs1	49541291	NZXPBJWVWZFYGT-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2ccc3sccc3c2)C1	70761063	IPNYZHXGVZYUAG-CMPLNLGQSA-N	231.364	4.502	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCC[C@@H](C)C1	85387926	VXIXPRJFJMYKHH-ZYHUDNBSSA-N	237.774	4.639	0	10	BJAE	
CC[C@H](Nc1ccc([C@H](C)CC)cc1)C1CC1	86116841	QIXNNMDYOGZEHV-WBMJQRKESA-N	231.383	4.801	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Sc1cc(C)ccc1N	91935350	OWYAJLNGSKZFRR-GXTWGEPZSA-N	249.423	4.638	0	10	BJAE	
CCCC[C@H](CCCc1ccccc1)NC(C)C	93074393	YMIAEQIMMRKAAI-QGZVFWFLSA-N	247.426	4.566	0	10	BJAE	
CCCC[C@@H](CC)C/C=C/CCNC(C)(C)C	93674055	PAKGYSABQPWSAM-BOLDSZDNSA-N	239.447	4.927	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1cc2cc(C)ccc2o1	97063393	LTHRFRFPGFRVMY-RISCZKNCSA-N	245.366	4.567	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)c1cc(C)oc1C	110227558	ROPHSYAFOUFMQI-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCC)c1ccsc1	129220222	JCMLVUSNPYJENC-OCCSQVGLSA-N	239.428	4.615	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)c2cccc(C)c2)C1	160200459	FNUQGIAVRHKKIW-UXLLHSPISA-N	245.410	4.614	0	10	BJAE	
CCCCCC(=O)C[C@@H](C)CC(C)(C)C	164759532	DYENHQAOIXAMHN-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
CCCC[C@H](NC(C)C)c1cccc(CCC)c1	165940579	BHRGFUGUKHHKPO-KRWDZBQOSA-N	247.426	4.868	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)c1ccc(C)c(C)c1	167279360	AVONSNDNYYGOFW-GUYCJALGSA-N	247.426	4.780	0	10	BJAE	
N[C@@H](c1cccc(C2CCC2)c1)C1CCCCC1	169013212	SGXRZSXOFPCECP-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CC1CCCCC1	203291155	BZTLKYLRISTCBK-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
C1CC[C@@H](CNC2CC2)[C@@H](CC2CCCC2)CC1	211977134	CTQUKNKFZWHQPL-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@@H](CNC(C)C)[C@@H](CCC)C1	219505639	KIMNGODFWPSMKI-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)NCCCC1CCCC1	225077182	VHBOCFDQUAMKPJ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC[C@@H](C)CC1	226499333	REWLWCQTOIQHHV-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC[C@@H](CC)C1)C(C)(C)C	226997100	GFYIFFIHSYIHPV-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
Cc1sccc1C(=O)C[C@H](C)CC(C)(C)C	227886588	IEQPXJDCYOOPBI-JTQLQIEISA-N	238.396	4.702	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](C)Nc2ccccc21	232956357	XKFKKRWCNUGKKG-CHWSQXEVSA-N	217.356	4.555	0	10	BJAE	
CCCCC[C@H](C)c1c[nH]c2ccc(F)cc12	232981483	SWJHMYJRLRZQEJ-NSHDSACASA-N	233.330	4.991	0	10	BJAE	
CCCN[C@@H]([C@H](C)CCC)C1(CC)CCCC1	233135837	YCECYYVWZJLOKX-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H]1C[C@@H](CC)CC[C@H]1CNCCC	251266494	CLXOUHYFAUXSLG-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	253193550	OVTSXWJBNBJBBH-NHAGDIPZSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H](C)CCC)NCC	300920902	LEUBQPNLZZMPKX-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1cc2ccccc2o1	302295551	GTVPJKIOVUYKMN-JSGCOSHPSA-N	246.350	4.539	0	10	BJAE	
CC[C@H](NC(C(C)C)C(C)C)c1ccc(C)cc1	302572438	AFYPREXUFCQQHK-INIZCTEOSA-N	247.426	4.716	0	10	BJAE	
Cc1ccc(C)c([C@H](C)NC(C(C)C)C(C)C)c1	302592152	GWIDWNGOLBNNBO-HNNXBMFYSA-N	247.426	4.635	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H](C)CC(C)C)cc1C	304169799	KUBTYLBNUYEIND-LBPRGKRZSA-N	232.367	4.558	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(O)CCC[C@@H](C(C)C)CC1	306101996	PYEQNVCPXOMJEX-ARFHVFGLSA-N	240.431	4.636	0	10	BJAE	
CCOc1ccc(Cl)c2scc(Cl)c12	307377029	VUEQVPYJPOGING-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1sc(C)cc1C	308115718	UUVORAPXYICZKS-LBPRGKRZSA-N	238.396	4.620	0	10	BJAE	
CC(C)C[C@H](C)/C=C(\CNC(C)(C)C)C(C)C	309993133	ZCYHKRTUJAAACJ-GWQWUEFDSA-N	239.447	4.639	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C(C)(C)C(C)(C)C)C1	310577938	QEUMZMLWTCYHMO-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cc2cccc(C)c2o1	310611064	BUVRQQLCWUXPPH-XHDPSFHLSA-N	245.366	4.567	0	10	BJAE	
CCCCC1(CNCCC)CCCCCC1	318557154	INAJOOQJMNZBGV-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
CCCCC1CCC([C@H](O)[C@@H](C)C(C)C)CC1	319310522	HMJCWLHUYWYDSF-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)c1ccc(O[C@@H](C)C(C)C)cc1	319546151	IXWMMYMEIDXSQC-OLZOCXBDSA-N	220.356	4.623	0	10	BJAE	
CCCN[C@H](C(CCC)CCC)[C@@H](C)C(C)C	319779091	GPHPNUIXPZGRAJ-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC[C@@H](C)C1CCCCC1	380039585	RKWRUESTOGURIO-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@H](O)CCC2CCCCC2)CCC1	380197361	QRMOSGLZTMRJJK-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC1CCC(C[C@](C)(O)C2CCCCC2)CC1	382448221	GAKZUNVWFUULEY-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCC[C@@H](N)C1	383275033	ZQLWTGLMYQQFOO-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CC1(c2cc(Cl)ccc2F)CCCCC1	383512689	GESJPMQNVSWXBV-UHFFFAOYSA-N	226.722	4.701	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H]2CCCC[C@@H]2C)cc1	384492844	MDBDDZTYABPZRD-JQFCIGGWSA-N	246.394	4.670	0	10	BJAE	
CCOc1ccc(N[C@@H](C)CC(C)(C)C)c(C)c1	384640000	AQONQJOKOHHDHO-ZDUSSCGKSA-N	249.398	4.630	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CN)CCCC[C@@H]1C	384730130	BAAUYCRREUKBDN-HRCADAONSA-N	239.447	4.748	0	10	BJAE	
CC/C=C/CN[C@H](C)c1ccc(CCCC)cc1	385041006	REHIDVBCPSTQDA-PMGBHYCQSA-N	245.410	4.646	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@H]1CCC[C@H](C)C1	386597974	GLOUKRVSPFWWFY-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(N[C@H]2CC23CCCC3)CC(C)(C)C1	386880809	IHKLAJWGXAUOKW-AWEZNQCLSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(CN[C@@H]2CCCC23CCCC3)CC1	392819907	BKAQTLYYDYYGFY-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(NCC2(C)CCCCC2)c(C)c1	394584695	ZVFZPILYMYGFRY-UHFFFAOYSA-N	245.410	4.994	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1C[C@H]2CC[C@H]1C2	395084275	QQNAUEHGRXXYOR-JYJNAYRXSA-N	246.394	4.662	0	10	BJAE	
CCOc1cc(C)cc2cc(C(F)F)sc12	396232496	ADYOOEZNIJPYLS-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1cc(C(F)F)c2c(F)csc2c1	396233697	FIYBRSIHZCPTJG-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1cc2cc(C)cc(C(F)(F)F)c2s1	396303805	MJERKHIDNGHTBA-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CSc1cc(C(F)F)c(C)c2sccc12	396398645	AONPMXZCAKBGFH-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@H](N[C@H](C)CCC1CC1)c1ccccc1	398031264	JYAJPIIQVNCLPE-PBHICJAKSA-N	245.410	4.696	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CCC1)[C@H](C)CCC	398746092	YSOVOEMIFNNXQB-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1CCC1)c1c(C)cccc1C	398815922	SNMNRWHQNFKHHT-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@H](C)C(C)(C)C	405752495	SGCQFNRPNXCFQU-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(C(=O)CC(C)(C)C2CC2)c(C)c1	405832581	ODFWMLAZIGUHNP-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CCCCCc1ccc(NCC2(C)CC2)cc1	687301423	FQVAWCDTYIMDFI-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCCC1(CNCC(C)(C)C(C)(C)C)CCC1	687525647	YEEUXSVWEBATSS-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](Nc1ccc(C2CC2)cc1)[C@H]1CC1(C)C	690135339	MNESZKKYSXZOIE-HZPDHXFCSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCCC1(C)CCCC1	691090663	SLJUQTCCMKWHIO-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(O)CCCC1CC1	691175657	PCBQARQTAJMSIU-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)c1ccc(CCC2CC=CC2)cc1	692119864	LLOMLCOPGJQJQP-UHFFFAOYSA-N	228.379	4.883	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCC(C)(C)CC1	696679617	UCTWMFUVDDETOL-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1C(=O)CCC1CCCCC1	699754689	GTJOWSQQECTHHE-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@H]1CCC[C@H](C)C1	700865935	BNOFBNKAUZXHGO-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@]1(N)CCCC12CCCCC2	704436334	OIDHINWIMUIGRD-MRXNPFEDSA-N	237.431	4.789	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CC2CCC1CC2)C1CCC1	705380428	CKYDAEGTSSQCDL-UMPYDWHISA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC12CC2	706954847	KBEUFBFLAGVPRK-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@@H](C)CC(C)(C)C)cc1C	708255483	AUUJCLCNNAGLGW-HOCLYGCPSA-N	247.426	4.684	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC[C@]23CCC[C@@H]2C3)CC1	710484089	JGUIMVKYIXJAGZ-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](c1ccccc1)[C@H](C)C[C@@H](C)C(C)(C)C	710759158	DVUDANFZVHRQJD-FMKPAKJESA-N	247.426	4.656	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)CC)C(C)C	711296704	XWIDKCFIYNVWDS-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)[C@H](C)c1ccccc1	711334394	YGNPLPWWCCMCLA-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
C=C/C=C\CCNc1cccc(Cl)c1Cl	713722479	UQWGPHLOORVBIG-ARJAWSKDSA-N	242.149	4.538	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CN)CCC=CCCC1	718971203	OTCWAWJLFGZUFU-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@@H](C)C1CCCCC1	721679083	OWNKGLBIXXDNOQ-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc(C2CCC2)cc1	721706746	VFDGMRSFDDCUSC-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CC[C@H]2CCC[C@H]21	722043930	IIPKUNGVUUAMQI-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1CCC(C(C)(C)Br)CC1	725261455	PSJZNPHXVVHJDF-UHFFFAOYSA-N	247.220	4.622	0	10	BJAE	
CCC[C@H](CC)SCc1cc(F)ccc1F	1166122452	CGRJCQSFPOZPTB-LBPRGKRZSA-N	244.350	4.777	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1ccccc1Cl	1201331297	MYXFQNVXXDTHRF-QWHCGFSZSA-N	249.785	4.744	0	10	BJAE	
CCC[C@@H](CC)SCc1ccccc1C	1473025579	FFONFVDHMSPEFP-CQSZACIVSA-N	222.397	4.807	0	10	BJAE	
C[C@H](NCC1(C)CCC2(CC1)CC2)C1CCCC1	1875709584	YEMVQUKGRMFSIC-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](C)(O)CCC[C@@H]1C[C@@H]1C	1896079663	ADLHESWWPFGJLZ-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@H](N)C1CCCCCC1	1900698135	TUWNPUJXSNUASO-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)CCC(C)C	1900840689	PVPICDDQWLLEDK-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](CC)CC[C@H]1CCCC[C@H]1N	1902113632	SGTHRKJNIUSYKT-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)CCC[C@H](NCC)C(C)C	1905443369	HPNYIGGPCOGZOM-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H](CC)CC(C)C	1905443760	JDTCNKDKMGTSGQ-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
C=CC=CCC[C@]1(O)CCC[C@H](CCC)CC1	1911973997	JTWRNJHHOURPOL-HOTGVXAUSA-N	236.399	4.620	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC2CC3(CCCCC3)C2)[C@@H]1C	1912707383	DFGYIAXNQGVIEI-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H]1CCCCCCCC[C@@H]1O	1913394116	ZVYORJXYVNAXCU-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCCC=CCN[C@H]1CCC[C@@H](C(C)C)CC1	1914680605	UZYDZYIXTLQWPH-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(CNC2CC2)C=CCCC1	1916562854	HJTKQYSNDMABLT-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@](C)(N)CC(C)(C)CC	1920190594	OTQOXRLIEZHPPT-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
Cc1ccc([C@@](C)(N)C[C@H](C)CC(C)C)c(C)c1	1920438036	LRBKHYRQMDLHRF-PBHICJAKSA-N	247.426	4.550	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC[C@@H]1C=CCCCC1	1925823127	RNVSIDLGPYWJAL-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCCOc1ccccc1C[C@@H]1C=CCCCC1	1925842650	CJHSWONLTBBNEK-OAHLLOKOSA-N	244.378	4.764	0	10	BJAE	
CC1(CCCC(=O)C(C)(C)C)CCCCC1	1935605260	DDGLLXKEPJHKHC-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@@H](C)NCC(C)(C)C1CCCC1	1940763745	UNNIAUGYSJTSMH-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@H](N)CC(C)(C)C1CCC(C(C)(C)C)CC1	1941144331	LRUCKNVOPFINKK-HSBZDZAISA-N	239.447	4.602	0	10	BJAE	
CCCc1cccc(C(=O)[C@H](CC)C(C)C)c1	1941266179	AWZRIIGFAZLRFQ-OAHLLOKOSA-N	232.367	4.504	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@H](CC)C(C)C	1941267022	MXUDJYVYEVUVSN-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H](N)C1CCCCCCC1	1944844873	CSDBKENKPJQHMU-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@@H]1CCCCC[C@H]1C	1948328336	ULRPRXSHZUSERF-FXUDXRNXSA-N	239.447	4.616	0	10	BJAE	
Cc1cscc1N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	1948596010	LYGQMGMTUUVBKH-GZBFAFLISA-N	249.423	4.827	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CC(C)(C)C(C)(F)F	1949015087	NQLDSTSUWPHRDT-CYBMUJFWSA-N	249.389	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CCC[C@H]1CC1(C)C	1949055142	PNDJTFJQGWZMPY-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@@]2(O)CCCCCC2(C)C)C1	1949435677	UOQKKOWYRUMWBI-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@@H]1CC[C@H](C)C1	1949518431	MBDTTWLDROEPIG-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(N)CC1CC2(CCC2)C1	1949838259	VFQQAMMZWAFSHJ-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CC[C@@H](O)[C@H]1CCCC(C)(C)CC1	1950912755	AKGKZEZRCKFYHV-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCC[C@@H](C)CC1)C1CCC1	1950924999	PMAPTNLMGPXAIX-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
C(CCC1CC1)CCN1CCCCC2(CCC2)C1	1966435957	CZPRGXJPZFKHBV-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCCC23CCC3)CC1	1967793468	HGZQKWVJWKQCDM-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H]1CCCC2(CCC2)C1	1969176451	HKVZGGPQDKTLQH-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1N[C@@H]1CCCC2(CCC2)C1	1971811389	AABCKVFLLQDEQA-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H](CC)C(C)C	1988768709	VJGLFMZFXSTONO-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC=C[C@H](C)N[C@@H](CC)C1CCC(C)(C)CC1	1996589931	SDPCVGVTYFEZFN-ZFWWWQNUSA-N	237.431	4.536	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1CC1(N)CCCCCCCCC1	1998577105	MGOPGBFZRBEBEZ-FICVDOATSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)C1CC2(CCC2)C1	1998649835	LAOACDQCPFPCIY-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@@H]1CCC=CCCC1	1999989058	WIUCHKNALTZKNF-ARFHVFGLSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CC[C@H]2C[C@H]2C1	2000215001	MDSNMVGFXKGCJG-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C[C@H](C)CC(C)C	2000306578	CSSKJQLTUIOTIJ-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@H]1CCC[C@H](C)C1	2000500904	ZVARUQYMQMYOCD-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNCC)C1CCC(C)CC1	2000503874	BOQKXMAILVPJSP-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](C[C@H]1CC12CCCC2)NCC	2001211609	SRPYDNFFYYSJLM-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1CC12CCCCC2	2001254228	MFRWJWDPUORNDY-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)CCN[C@@H](C)[C@H]1CCCC(C)(C)C1	2003017569	IYZHPFXOSDTMCV-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)[C@H]1CCC[C@H](C)C1	2003019862	XXXALRRIEXYRRR-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC=C(C)C)C(C)(C)C1CCCC1	2004234613	RUWUPDKDQWWXDM-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1CCC[C@@H](C)C1	2004235546	ZVGKRZCGHAMWHW-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)C[C@]1(CC(C)C)CCCN1	2004725703	RVCMXZHIFIGKPA-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@]1(CN)CCCCC1(C)C	2005594989	HOTXBNSPRBGYSO-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1CC1CCC(C)(C)CC1	2006985606	AVOKOLZMJHSIRO-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C1CCCCCC1	2007623140	RIYCMLWOBAZDTC-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@@H](NCC)[C@@H]1CCCC(C)(C)CC1	2007857349	MNWSQRLQMGWCRM-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C1(CCC)CC1	2009550248	ZCCDDKQWQBVYHQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@@H]1CCCCC1(C)C	2009592961	YRBWZJIKRLXGNG-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC=C(CC(=O)CC2CCCCC2)CC1	2010601342	UMQBDKHGVKNEJT-ZDUSSCGKSA-N	234.383	4.662	0	10	BJAE	
CCC1CCC([C@@](N)(CC)CCC(C)C)CC1	2013274124	MOVCJOGMKXVUKO-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2CCC2(C)C)CC1	2014848299	DILPXYPTMDSESB-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@]1(CNC(C)C)CCC1(C)C	2014854465	PCXQSSJOOKILFY-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1C=CCCCC1	2016114671	JMLVAECORIAGDF-HOTGVXAUSA-N	235.415	4.587	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C1CC(C(C)(C)C)C1	2016145837	QQKLXVAENIFSFS-ZBCRRDGASA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)C1(C[C@@](C)(N)CCC2CC2)CCC1	2017145836	MRQGLRLPLYNYOW-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CC2(O)CC(C)(C)C2)CC1	2017653664	VZRVAJIWIQLEAZ-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](CC=C(C)C)NC)CC1	2017654454	DMXRIVSKEXTRPQ-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)CC2(C)CCC2)CC1	2017655267	LFUQBNRHGNEAJP-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(C)CC[C@@H](N)C2)CC1	2017732438	BAYNYEFUFUYUPQ-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@H](C)CCC1CCC(CC)CC1	2017738500	VDZFSSNWUQVHEZ-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CCC(C)(C)C)CC1	2017771826	MYWSOVZEOQTTBN-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
CCC1CCC(C[C@@H]2CCCC(=O)[C@@H]2C)CC1	2017775052	XAFVEZBCGPELLB-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)[C@H](CC1(CC)CC1)NCC	2018989281	DNFHBFLCDHNLEN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@H](C)C(C)(C)C)CC1	2018996161	SMLUGAUKPBDHIT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCCCC[C@H]1CC	2019204551	XLVVDLGMNIUWCB-BZUAXINKSA-N	237.431	4.610	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCC2(CC2)C1	2021787503	IJXUECZYYYLMSS-ZDUSSCGKSA-N	229.367	4.555	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1C[C@H]1C1CCC1	2022336491	FYMZVQFTBAGSOA-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1C[C@@H]1C1CCCC1	2022414710	MGYMNIPTDCAVKY-HUUCEWRRSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C[C@H]1C[C@@H]1CCC	2022483127	IIQIVRZCEGGDMJ-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C[C@H]1CCCCCCCC1=O	2022555649	YYTULMWITWTHJE-ILXRZTDVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H]1C[C@@H]1C(C)(C)C	2022592376	XTNFHEUNKBHHSO-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
C[C@H]([C@H](N)C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2024095498	RGRULBINGCWHMK-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC(C)(C)C1(C)C	2025014343	HHYXIYOFSIDMHD-ZIAGYGMSSA-N	239.447	4.616	0	10	BJAE	
CC1(C)C[C@@H](NC2CCCCCCC2)C1(C)C	2025016633	CQBBZAXHLSHURU-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC(C)(C)C(C)C	2026165584	CPLMSBPBZBBYHQ-GJZGRUSLSA-N	241.463	4.993	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2CCC[C@H]3C[C@H]32)n1	2026523946	DUBCGRHSUJZLIY-CDGCEXEKSA-N	249.423	4.635	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCCC1)c1ccco1	2027302667	WWOZBWNIVDJOKS-AWEZNQCLSA-N	249.398	4.681	0	10	BJAE	
CCCCC[C@H](Cc1ccccc1C(C)C)NC	2027498880	KLKNRUCUQCFKCM-MRXNPFEDSA-N	247.426	4.521	0	10	BJAE	
CCCc1ccccc1[C@@H](CCC=C(C)C)NC	2027902532	ZTOFZKHDZOQVNO-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CCC(CC)C[C@H](N)c1ccccc1CC(C)C	2028920420	JNGYWTCZWFWNBM-KRWDZBQOSA-N	247.426	4.711	0	10	BJAE	
CCCN[C@H](CCC)c1ccccc1CC(C)C	2028926687	JJTRXQFQDYGPES-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](NC)c1ccc(C2CC2)cc1	2029074841	NJDZDLFXZRAZQC-AHIWAGSCSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C(=O)CC[C@@H]1C[C@H]1C1CC1)C1CCCC1	2032305140	DOWDCDJKSOTQMU-HIFRSBDPSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1[C@@H](C)[C@H]1CC	2033498771	QNKTUZAYENFPLR-RKTXRCNFSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCCC1)NC1C[C@H]2CCCC[C@@H]2C1	2034150265	PKZFQAUNJDXCPP-FVQBIDKESA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@H]1CC1CC(C)(C)C1	2037225911	KEVQDIFVSGBKNB-WFASDCNBSA-N	243.394	4.658	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CCC23CCC3)c1	2037477876	LSJLEOBVEALVEE-MRXNPFEDSA-N	243.394	4.556	0	10	BJAE	
C[C@](N)(C1CCCCC1)[C@H]1CCC2(CCCC2)C1	2037591037	ZIWCXZOPJNQOAL-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CCC[C@@H](C)CC2)ccc1F	2039379259	ZTEVBGADNQWFML-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
C[C@H](N[C@@H]1CC2CCC1CC2)C1(C)CCCCC1	2039861685	HTIQEBSFGAQDMB-SLTXQBBLSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)[C@H]1CC=CCC1	2042025979	ZXEKKKBEGZQZAH-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)CCC2CCC2)cc1	2042743003	QARZVJMHSWNZDU-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CC1(C)CCC[C@@H](c2cccc3c2NCCC3)C1	2045504207	JWLLRYVGUXAETP-CQSZACIVSA-N	243.394	4.729	0	10	BJAE	
CCc1ccccc1C(=O)C1(C)CCCCCC1	2045609267	ALJCBOXOSHWMKL-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
C[C@@H]1[C@@H](NC2CC3(CCCCCC3)C2)CC[C@H]1C	2046230467	SCKFQJAUNGNISO-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@@H]2CC23CCCC3)CC1	2047022257	CDQHDDNEUBEZQS-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1N[C@H](C)[C@H]1CCC[C@H](C)C1	2049536477	LVXIUFTZMCJZFA-LZWOXQAQSA-N	245.410	4.876	0	10	BJAE	
CN[C@H](CCC(C)(C)C(C)C)c1ccc(C)cc1	2050431733	SCRHIPJCQHLRIY-MRXNPFEDSA-N	247.426	4.718	0	10	BJAE	
Cc1ccc([C@H](O)CC[C@@H]2CCC[C@H](C)C2)cc1	2050441098	KDZQZDCGOIGZMN-YQQAZPJKSA-N	246.394	4.635	0	10	BJAE	
CN[C@H](CC1=CCCCCC1)c1cccc(C)c1	2050460701	LVVGOLHFOUZOMI-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CC[C@]1(C)CCc2[nH]c3c(C)ccc(C)c3c2C1	2051616830	LWQDFOJMAHURCJ-QGZVFWFLSA-N	241.378	4.690	0	10	BJAE	
C[C@H]1C[C@H](N[C@H]2CCCCC23CC3)CC(C)(C)C1	2053345613	KBXMSTADUPJQCO-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@@]1(CCC2CC2)CCCCC12CCC2	2053362228	YWCMYNSXDHOQIE-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@H]1CCCCC12CCC2	2053362386	ZRVJUKNHJSBTRD-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@H]1CCCCC12CC2	2053415265	HCGYACGWBZUSNV-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCCNCC(=Cc1ccccc1C(C)C)CC	2053926524	WNLSUUZTYLWTMN-UHFFFAOYSA-N	245.410	4.603	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2059257813	AMIXFCWDWBUWBI-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCSc1ccc(SC(C)(C)C)cc1	2060341997	NLSJJHBSOJTTJZ-UHFFFAOYSA-N	226.410	4.689	0	10	BJAE	
CC1(C)CC=C([C@@]2(O)CCCC23CCCC3)CC1	2061080270	GJMPMYXNGJXJCA-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc(NCC[C@]23CCC[C@@H]2C3)cc1	2061571926	NNHIGPLSKCUOBS-WBVHZDCISA-N	243.394	4.631	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1CC(=C2CC2)C1	2061650007	DGUMHTIRPTXTSY-RCFWFJCLSA-N	247.426	4.601	0	10	BJAE	
O[C@@]1(C2=CCCCCCC2)CCCCCC12CC2	2062029822	BAAZRODBSKGKOZ-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)c1ccc(C2CC2)cc1	2062638029	NJFHWXSHYWXBMA-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)CC1CC2(C1)CC(C)(C)C2	2063202814	CJAWSTHSPCPQJQ-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C(C2(N)CCC3(CCCCCC3)CC2)[C@H]1C	2065892175	ITPCXUYSHMYCTA-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(N)(C[C@@H]2CCC3(CC3)C2)C1	2067988322	IHQXGHKVKVORKN-TUBUQKNSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)c1cc(C)c(C)o1	2068910813	GDQPOTPNUAZRNF-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CC(C)CC1([C@H](N)c2ccccc2C(C)C)CC1	2069512491	BOHQGQVLVITDDT-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
CC(C)C1(C[C@](C)(N)C23CCC(CC2)C3)CCC1	2071945866	KNCGTTZGFSPYJW-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccc(C(=O)CC[C@@H]2C[C@H]2C)cc1	2072083188	PDZVFTCKVVLZIB-CZUORRHYSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1C[C@H]2CCCC[C@H]21	2072423686	HZKZEWMRFSVNNC-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(CC(=O)[C@@]23CCCC[C@H]2C3)CC1	2072881930	OYPXHRYGSBTWRD-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@H](CC)NCC1CC2(C1)CC21CC1	2073345786	JZGDUDIKRNBBTQ-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@]23CCCC[C@@H]2C3)C1	2074025291	NMNPAIWXRNNZIM-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1([C@@H]2C=CCCCC2)CCCCC1(C)C	2075373522	PLYDGKSSNHYOFO-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1C[C@H]1CNC1CC2(CCCCCC2)C1	2079446009	HJIHGVQRARUPRV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(N)(C[C@@H]2C[C@H]2C2CCCCCC2)C1	2079669822	JDMHDLMNIHYZHJ-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@H](C)NC(C(C)C)C(C)C	2081207883	YVCYSJLNQFRHME-AWEZNQCLSA-N	247.426	4.580	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)C2CC3(CCC3)C2)C1	2082977121	WRKKJQROZBWPKN-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CNCCC1=C[C@H]1CCCC(C)(C)C1	2082979571	OOGWKAHELJVHRX-ZBFHGGJFSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC(C[C@]2(N)CC23CCC3)CC(C)(C)C1	2082980096	SESCFJCJXNRZLR-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C)C(=O)CC1CC2(C1)CC1(CCC1)C2	2083606300	RTVRDGXXCWKSRJ-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](Nc2ccccc2C2CC2)C1	2085320307	IVQMDJUOVKUXLF-HUUCEWRRSA-N	243.394	4.801	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(N)CCC[C@@H](C(C)(C)C)C1	2216250484	AXGNJFDTEGNPET-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CC=C(CC)[C@H](CCCC(C)(F)F)NCCC	2216272231	MSNDSTQUXCPDMH-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CN[C@@H](CCCCCCCC1CC1)CC1CC1	2216878708	FAQBYGXZTVQJFT-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NCC1(C[C@@H](C)CC(C)C)CCC1	2217146965	FHUKQCNDQYGZHH-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)C(=O)C1	2218336641	XGKYRVGHQUQYOO-HOSILWTGSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CC1CCCCC1)C1C[C@H]2CCC[C@H](C1)C2	2218346961	UDPJCXWVEKCYHD-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218348093	DTXOBUKSQJGRKL-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](n2ccc3cccc(F)c32)C1	2220310880	NDILZKVFLYTIDX-IMRBUKKESA-N	245.341	4.778	0	10	BJAE	
C[C@@H]1CC[C@H]1C[C@]1(CNC(C)(C)C)CC=CCC1	2220670911	HXENIMKXOAEIJA-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(C(=O)CC2(C)CC(C)(C)C2)cc1	2221088451	OJLFHLUBZPCBOD-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC1=CC[C@@H](CN(C)CCCCCC2CC2)CC1	2221616300	RHZPYEIKTPPCDS-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CCCC1([C@@H](NCC)c2c(C)cccc2C)CC1	2222004265	CWWHYPQIUUIMAK-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
O=C(C[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC=CC1	2222954797	NGARAUKYFXMOHC-FMKPAKJESA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CNCCCC1=CCCCCCCC1CC1	2223111617	VQPUGBAFRAPNRW-OAHLLOKOSA-N	249.442	4.683	0	10	BJAE	
C1CC(NCCC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2223598955	QLODLMJEHWUOLJ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1ccc(C2CCC2)cc1	2223682160	XOXQMJUTJIKQIL-STQMWFEESA-N	244.378	4.819	0	10	BJAE	
CCCCc1ccc([C@@H](O)[C@@H](C)CCC)s1	2242605550	ZQRUMRVCDBSGPU-FZMZJTMJSA-N	240.412	4.560	0	10	BJAE	
CC(=CCCN)CC[C@@H](C)CCCC(C)C	2244837741	QQWVFKJWDKPORZ-AWEZNQCLSA-N	225.420	4.524	0	10	BJAE	
CC(=O)C[C@H](C)CC[C@H](C)CCCC(C)C	2244845436	PEOLRHJOEXLHLL-ZIAGYGMSSA-N	226.404	4.844	0	10	BJAE	
CC[C@@](C)(CO)CC[C@H](C)CCCC(C)C	2244870097	XQLMBGIPWLXEJT-HUUCEWRRSA-N	228.420	4.638	0	10	BJAE	
CCCC1([C@H](O)CCCC[C@H]2C[C@H]2C)CCC1	2247172801	BFWXSWZORLKHCZ-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
N[C@H]1CCCCCCC[C@H]1CC1=CCCCC1	2247491092	VWHMPHFICSXUIP-HOTGVXAUSA-N	235.415	4.565	0	10	BJAE	
CC(C)CCC[C@@H](O)CC[C@@H]1CCCC12CC2	2247666354	SFVNNQBOAMMDGD-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCc1ccsc1C(=O)[C@@]1(C)CC=C(C)CC1	2248001735	KGRKXNZJKMYSOB-HNNXBMFYSA-N	248.391	4.630	0	10	BJAE	
CCC(CC)[C@@H](N)c1cc(C)c2sccc2c1	2248567299	VSYZCWONWPRXRZ-CQSZACIVSA-N	247.407	4.646	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CCCCC[C@H]1O	2248805510	HKDHXKUCSBVBHN-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CCNCCCCC[C@@H]1C[C@H]1C	2248880491	SMMNGBYFLGYYPA-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)CN[C@H](C)CC1CCCCC1	2250379116	BUVQNYGASFJESA-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
c1cc(NC2CCCC2)cc(C2CCCC2)c1	2251228874	KMJSJQWSTBQZLT-UHFFFAOYSA-N	229.367	4.699	0	10	BJAE	
CCCCCC[C@@H](CCC1CC(C)C1)NCC	2251756338	ZYGOMNVFILVKGN-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
O[C@H](C[C@H]1CCCCC12CC2)C1=CCCCCC1	2253803231	VJIDVTRSRCVTEE-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H]2CCC3(CCC3)NC2)C1	2253969048	FWGLVEJBTQFYGD-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2CCC23CCC3)CC1	2254910886	AWJWRVZOAOIMOX-HOCLYGCPSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)CC[C@@H]1CCCC12CC2	2255270568	YSNSRUPOQFMIEF-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CC[C@@H]2CCC[C@@H]21	2257318046	AZTRYLHRCYWXEM-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(C[C@H](N)CCC1CCCC1)C2	2259569549	NBDYGSPDMULVOP-XOJNLIDHSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CC(=O)c1cccc(C2CCCC2)c1	2260660208	CSOVIHQDBXGKKT-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)CC1CC([C@H](N)C2=CCCCCC2)C1	2261191804	SVECOWHIZUXKEI-AVVWSFFYSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)CC[C@H](N)CC1CCCCCC1	2300684575	WCOOMZYLVXTSBS-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC1(C)C[C@](N)(CC2CCCCCC2)C1(C)C	2301141009	UPLSGSPQHASOQJ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)CC1CCCCCC1	2301145855	SNMKKKRKUTWLOC-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H](C)[C@@H](C)C(C)C)C1	2301844301	PGLNBWLLTCXTTP-XQLPTFJDSA-N	238.415	4.700	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1CC[C@H]1C(C)(C)C	2303486503	DUUJOFYBMZRYNU-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1CCCCC12CC2	2307760007	CTFAALUPAFYGQP-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCC2(CCC2)C1	2307816959	KLEOPJWCLMYQQP-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCNC[C@@H](CC(C)C)C[C@@H](CC)CCC	2307832724	VZFTTYVQPXKFMW-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)C1CCC(C)CC1	2307837377	GWCLEDXSKRCSMJ-KNIAUWFNSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@H](C)C1CCCCC1	2307880363	WCNHCROSJQXPAQ-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)C[C@H]1C[C@@H]1C	2307897031	ZGEPNHPZDHQYQD-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316885147	PLHACPUJZXGSLO-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@H](C)[C@H](C)C(C)C)c1	2317628656	BTCPNWFGCRREHU-OAGGEKHMSA-N	247.426	4.635	0	10	BJAE	
CN[C@@H](CCC[C@@H]1C[C@@H]1C)CCC1=CCCCC1	2317905976	CNVJUHNZIDFUIF-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCCC1CC1)CC1C[C@H]2CCC[C@@H]2C1	2318873159	AVHMCJNBAXLBHQ-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)C[C@H]2CCCC23CC3)C1	2319125066	ZLAHVTJAZXRORV-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCC(C)(C)C2)cc1C	2319288222	GCRFPVDLUCWYFQ-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCCC[C@H]2C[C@@H]21	2319442713	FSPJTROPYZJXJQ-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H]2[C@@H](C)CCC[C@H]2C)CC1	2320268993	WAGBRVYBSAZVPS-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@@H]2C[C@H]2C(C)(C)C)CC1	2320336807	IRHJFFYKZLQVNC-KLHDSHLOSA-N	249.442	4.523	0	10	BJAE	
CCC1([C@H](C[C@@H]2CCC(C)=C(C)C2)NC)CCC1	2320394360	OVOBSRAJPBFSJL-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)c2ccc(F)cc2)CC1	2320396293	CKUWFNBZXUPARX-ZDUSSCGKSA-N	246.325	4.535	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCC[C@@H](CC)C2)c1	2321078235	CPUDBAMTLHFCTN-DOMZBBRYSA-N	249.373	4.769	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](CC)c2ccco2)c1	2321083099	NUDWSSKOTDBPTE-AWEZNQCLSA-N	247.313	4.544	0	10	BJAE	
CC1(C)CC[C@@H](CCN[C@@H]2CCC3(CCC3)C2)C1	2321528891	WXPNXHXOKRCRQB-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(CNC(C)(C)C)C=CCC2)C1	2326698786	HSULESDMOHDMNU-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@@H]2CC[C@@H](C)C2)c1	2327698606	DTYWAVSCICZDBP-MRRJBJDNSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)c2ccccc2C)c1	20553128	MAYXQLOGVSHXAO-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCC[C@@H](C)N[C@@H](C)c1ccc2ccccc2c1	21792653	WSLASGMVPWJEQK-KGLIPLIRSA-N	241.378	4.679	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCC[C@@H]1CC	37031865	UUDUMDXLNSJLKF-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
Cc1cccc(N[C@H](C)C2CCCCC2)c1C	37215646	VYTHUHRRMKGNDR-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccccc2C(C)C)C1	80426288	MKHUKFXMYLZANJ-UONOGXRCSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCC1(C)C	86867334	YCHMTZQUSXFMTB-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](N)c1cc2cccc(C(C)(C)C)c2o1	88074954	NPBKBGFTTFOOMK-ZDUSSCGKSA-N	245.366	4.530	0	10	BJAE	
CCCN[C@H](C(C)C)[C@H](CC)c1ccc(C)cc1	92599814	SUBQENJJWYOINJ-IAGOWNOFSA-N	247.426	4.513	0	10	BJAE	
CSc1ccccc1N[C@H]1CCCCC1(C)C	94276348	KDBZHJJKACZFMS-AWEZNQCLSA-N	249.423	4.789	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](CC)C1CCCCC1	103985625	VYQSVIQDYAWTIR-GDBMZVCRSA-N	239.447	4.904	0	10	BJAE	
CCCCCC[C@@H](CC1CCCCC1)NC	124748763	DDJCAPQFOIPYGO-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCNC[C@H](CC(CC)CC)C1CCCC1	128253004	ZAVOKSXFBVYZSH-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](CNC1CC1)C1CCCC1	128292623	BTWBOOBTEXYYKI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1cc([C@@H](N)C[C@H](C)CC(C)(C)C)cs1	129389480	MMGRWQRAXZFZNB-GWCFXTLKSA-N	239.428	4.519	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2CCCCC2)CC1	203537796	ZYSXVDDXDVCUKM-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1C[C@@H](CC[C@@H](O)c2ccccc2)CC[C@H]1C	221322418	SLBZEMVLXVXVTN-JYYAWHABSA-N	246.394	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(O)C2CCCCC2)C1	229118730	CNOFYOYVXOICOS-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](C)c1c[nH]c2ccc(F)cc12	232959521	SWJHMYJRLRZQEJ-LLVKDONJSA-N	233.330	4.991	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(C)cc1Cl	233289362	DECFYIZGJHILGG-LLVKDONJSA-N	225.763	4.639	0	10	BJAE	
Cc1ccc2c(c1)[C@@H]([C@H]1CCCCC1(C)C)CN2	235994952	FATKBPWSQZQPEC-LSDHHAIUSA-N	243.394	4.721	0	10	BJAE	
F[C@@H](CCC1CCCC1)c1cccc2c1NCC2	302286292	WAQRBPKBEURWQP-HNNXBMFYSA-N	247.357	4.636	0	10	BJAE	
Cc1cc(C)c([C@H](N)C(C(C)C)C(C)C)cc1C	302603704	WTESWBUNKKDLKO-KRWDZBQOSA-N	247.426	4.540	0	10	BJAE	
Cc1c(C(F)F)sc2cccc(Cl)c12	306710704	WMLCLCQWGDTGQQ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)c1ccc(C(C)C)cc1	308079176	PHGUGKJXMUOXNG-YOEHRIQHSA-N	247.426	4.882	0	10	BJAE	
CCN[C@H](CC1CCC(C)CC1)CC(C)(C)C	310127593	JSCVLGWDXYELRD-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@]2(CNC3CC3)CCC[C@H]2C)CCC1	318665265	CLRFVZOCYQLLIY-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](CN)c1ccc(C(C)C)cc1	319553623	GVJAKGVCAJTKMM-GRDNDAEWSA-N	247.426	4.535	0	10	BJAE	
CCCN[C@@H](c1ccccc1CCC)[C@H](C)CC	384485357	CRKOAYOTMHXANS-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CC/C=C/CNC1CCC(C(C)(C)CC)CC1	384806144	ZOOICOCFVDOSQB-BQYQJAHWSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CCCC[C@@H]2C)cc1	384977773	JDXVDFPZHVXEPQ-BBRMVZONSA-N	244.378	4.819	0	10	BJAE	
Cc1cc(F)c(N[C@@H](C)CC(C)(C)C)cc1F	385264612	XKMWSGSPNAHLPG-JTQLQIEISA-N	241.325	4.510	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@H]2CC)cc1C	393939066	VRHMXVZOYGKLQI-GDBMZVCRSA-N	231.383	4.548	0	10	BJAE	
CC(C)CCCCCNC[C@@H]1CCC[C@@H](C)C1	394780198	YOGLFKRNMUBRSZ-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC(C)(C)N[C@H]1CCCC12CCC2	394787384	VDQAUIHOPHYMLR-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
O=C(CCC1CCC1)c1cc2ccccc2s1	398637707	UOWHIXUIQVHREP-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H](C)C2CCC2)CC1	398685472	BBNJMNKAKKRNRY-YDHLFZDLSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCC1CCC1)C1CCCCCCC1	398849120	MQTKKEJGYZEGHL-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CC=CCC2)ccc1Cl	402166619	VAZQXSPAYRHGDY-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)C[C@@H]2CC=CCC2)[C@@H](N)C1	402362105	XWNKEWUJGJHCEG-WCVJEAGWSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@@](N)(CC)CC(C)(C)C(F)(F)CC	691032457	FNCSXIMXUUJQMW-ZDUSSCGKSA-N	249.389	4.746	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@H](C)C(C)(C)C	691169891	UTYPVGXGTXYHQR-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H]1CCC[C@@H](C)CC1	695056755	XMWKJAHWDUOSHC-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC(C)C)[C@@H]1CCC[C@H](CC)CC1	695071095	SJTCICBKIMIJAN-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1CCCC2(CC2)C1	695688321	HDTLVVFGHBMFKT-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)[C@H]2CCCC3(CC3)C2)CC[C@H]1C	695914661	CRPFQLDKXYZZRP-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CCCC2(CC2)C1	695937454	NDZJVHQAHBQJFC-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H](NC2CCC(C3CCC3)CC2)C1	696076772	OMRMUHSMNQIFRR-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)CCCC(C)C	696739145	YARKVWAVFYYECW-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)CC)CC[C@H](C)C1	696804356	YGEKGEJXGSKUID-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](CCC=C(C)C)C[C@@H](C)CC(C)(C)C	697759045	PCACWADLDIWDJS-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CC(C)=CCCc1ccc(C(F)F)cc1	701234275	OFADGBZJJKTFSA-UHFFFAOYSA-N	210.267	4.523	0	10	BJAE	
C[C@H](CC[C@H](CN)c1ccccc1)CC(C)(C)C	709086861	ZLYYHDHLXNOQFT-GDBMZVCRSA-N	247.426	4.581	0	10	BJAE	
CCCC1([C@@H](C[C@H](C)CC(C)(C)C)NC)CC1	709125787	ITBOTKSUKQFZAI-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)CC2=CCCC2)c1	709502220	STAVFEFBWKDKET-UHFFFAOYSA-N	242.362	4.667	0	10	BJAE	
C[C@@H](Nc1ccc(C2CC2)cc1)C1CCCCC1	709648027	DFBMLXBHGSMQSF-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CC1(CN[C@H]2C[C@@H]3CCCC[C@@H]32)CCCCCC1	712401413	DQLJPZGQHZNVKN-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@](C)(O)CC(C)(C)C(C)C)cc1C	713183456	OVMKCIMMPGURPE-KRWDZBQOSA-N	248.410	4.583	0	10	BJAE	
C=C/C=C\CC[C@@H](CC(C)(C)C1CC1)NCCC	713698206	WSDRWHXSMMPJHX-PTZVLDCSSA-N	249.442	4.703	0	10	BJAE	
CC1(C)C[C@@]1(C)CNc1cccc2ccsc12	717009991	GLZVKEUWLCKLEQ-HNNXBMFYSA-N	245.391	4.749	0	10	BJAE	
C[C@@H](C[C@H]1CCC(C)(C)CC1=O)CC(C)(C)C	717456323	UQEPFQKRTCJUTF-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1cc(C)c(C)s1	718572300	KXKLPGLDLSQLLU-ZDUSSCGKSA-N	237.412	4.501	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1ccc(C)cc1F	718636340	WQRQLKRRSCUMHS-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CCC(C)(C)C[C@H]1C	718688607	FHTDFTBHISTMAY-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCC1(C(=O)CCC(C)=C(C)C)CCCC1	718713582	ZYNGWXVHWMOUFH-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H]2CCCCCC2(C)C)C1	718990381	TYONPCSNRZBXSP-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CC(C)=CCCC[C@H](C)COCc1ccccc1	719592923	QQDGAFOJAQHGAT-INIZCTEOSA-N	246.394	4.976	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C1CCCCC1	720361053	WOVYQYOKAHIWGY-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H](C)c1ccco1	720945869	WEFCCBFFSHECBU-ZFWWWQNUSA-N	249.398	4.679	0	10	BJAE	
CCc1ccc(CC)c(-c2ccc(NC)cc2)c1	723898841	YBPHNJDZIMPSHK-UHFFFAOYSA-N	239.362	4.520	0	10	BJAE	
CC=CCCCc1cc(Cl)ccc1Cl	1885358706	LRUZOQQNUYIGFF-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
CCC(CC)CCC(C)(C)CN[C@@H](C)CC	1900703743	SZDKWAKURUDDEO-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC(=CCc1cnc(C)s1)CCCC(C)C	1900839015	RGLNVCMGWAMWOP-UHFFFAOYSA-N	237.412	4.767	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CCC[C@H](CC)C1	1900872166	UTTUZKRZMDXUFV-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)[C@H](C)C(C)C	1901692702	ADHFKIGLDINNTA-ILXRZTDVSA-N	227.436	4.602	0	10	BJAE	
CCc1cscc1NC1[C@@H](C)CCC[C@@H]1C	1902377845	YPRYJYSBMSGNDW-QWRGUYRKSA-N	237.412	4.547	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H](C)CC(C)(C)C	1905454551	SLZDJYWUIWKELZ-MELADBBJSA-N	228.420	4.636	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)CC1CCCCCC1	1910808460	XAVXRZDLRPYXHC-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)C2CC3(CCCC3)C2)C1	1912645590	LEKCQPAMEZNOQK-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
C1CCC2(CC1)CC[C@@H](NCCCCC1CC1)C2	1915875124	URZQSYIOJJEEPA-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CCC2=CCCCC2)[C@@H](C)C1	1916078054	BHZHWZSSQLSUAK-KCQAQPDRSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)CCCCCC1CC1	1924103661	CXHXDWAHNOYVSR-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@@H](C)C1CCCC1	1924123139	AIPLHINVIHIRHY-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
FC1(F)CCC[C@H]1CC[C@@H]1C=CCCCC1	1925848551	IKHLYQHUCBDQRL-OLZOCXBDSA-N	228.326	4.948	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCC(F)(F)CC	1938811393	GUONCWDYXCYCJQ-LLVKDONJSA-N	234.330	4.597	0	10	BJAE	
CCCC[C@@H](CCCCCCC1CC1)NC	1939111464	NJHAQPWJFDMQBU-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
Cc1cc(NCc2ccccc2C(C)C)cs1	1940558072	YZVQBIHACBVNBN-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCC[C@H]1CC1(C)C	1940848798	PJEXSBARURSIBQ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)CC[C@@H]1CC1(C)C	1940855518	HBKRAPCKZVDDLV-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCC[C@@H]1CC1(C)C	1940876247	LFVSLNFYUPBMHI-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)C(C)(C)C(C)(C)C	1940877071	ORDHEXMPDXCJCC-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@@H](CC)C(C)C	1941267023	MXUDJYVYEVUVSN-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CN[C@@H]([C@@H](CC(C)C)C(C)C)[C@H](C)CC(C)C	1941267703	VTGOZWNJDZGYQT-OWCLPIDISA-N	241.463	4.575	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H](CC(C)C)C(C)C	1941274191	YAQGUSREIRSLHF-HOTGVXAUSA-N	239.447	4.769	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)CCCCCC1CC1	1941584679	QDHYZGNBKVFMCN-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](NCCCCCC1CC1)C1CCC1	1941591005	HPVQAWKKJKGKCK-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(NC[C@@H](CC)C(C)C)CC1	1941934224	IXPMYNRWBDUBET-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@@H](C)CCC(C)C	1942658510	HIVXQDWUPAGKIA-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCNCC(CC)(CC)CCC(F)(F)CC	1947888569	LPLBWQREIRDEPL-UHFFFAOYSA-N	249.389	4.618	0	10	BJAE	
CCCN[C@@H](CCC)[C@H]1CCCCC12CCC2	1948453079	LPTYBOZYVBIKCJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCC(C)=C(C)C)CC1	1949046587	HMWOROAOMSHVEU-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CC1(C)CC[C@@H](CCC2CCCCC2)C[C@@H]1O	1949681924	XIXZWBLVJTVJAJ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC=C[C@@H](NCCC)[C@@H]1CCCC(C)(C)CC1	1950914861	UJCDPKNCZARNCX-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1cccc(Cl)c1Cl	1959205651	DRORDJXFJKPHRI-SCZZXKLOSA-N	244.165	4.594	0	10	BJAE	
FC(F)c1cc(C[C@@H]2C=CCCC2)cs1	1959989669	SUERMTZRMAFDPV-SECBINFHSA-N	228.307	4.585	0	10	BJAE	
CCCCC[C@@H](C)NCc1ccccc1C(C)C	1963223239	USMDNOKYVDWDID-OAHLLOKOSA-N	247.426	4.868	0	10	BJAE	
Cc1cccc([C@H](C)NCCCCCC2CC2)c1	1966223566	KBAOOXCZDAJGON-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)C1CC2(CCC2)C1	1968647470	FBMAZVFUMUOFDQ-GFCCVEGCSA-N	247.357	4.515	0	10	BJAE	
CCC[C@@H](C)N[C@H](C)C1CCC(C(C)C)CC1	1968898384	BPEWITILJNSPQX-WXLSXGNJSA-N	239.447	4.616	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCCC(C)(C)C2)C1	1969843542	CPFRJJZZGSODNC-SHARSMKWSA-N	237.431	4.514	0	10	BJAE	
CCCC(=O)[C@H](C)C1CCC(CCC)CC1	1980233060	DVFNFNUJNDOTHF-IYXRBSQSSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C)CCC(C)C	1986948749	RFEKSNUGKWVLAG-CABCVRRESA-N	227.436	4.616	0	10	BJAE	
CCCCC[C@](C)(N)CC(C(C)C)C(C)C	1988319869	WXJYZIAPIOKTCT-HNNXBMFYSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](O)CCC1(C(C)(C)C)CCC1	1989445686	LQSJLRHISIJAOV-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1N(C)C1CCCCCC1	1995704027	IOEFIWLEURXSBX-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CC1CCC([C@@H](C)NCCCC(C)(C)C)CC1	1996554219	LACJIVNKBGWNNW-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)C1CCC(C)CC1	1996561858	PSOMIMMHGBCRQD-KNIAUWFNSA-N	239.447	4.760	0	10	BJAE	
C[C@H](N[C@H](C)CC1=CCCCC1)c1cccs1	1998381505	XEVAAQDYHUNIKO-OLZOCXBDSA-N	249.423	4.678	0	10	BJAE	
CC(C)(C)CCC[C@](C)(O)C1CC2(CCC2)C1	1998654245	IQUYYPHOXGBNRH-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
Cc1csc([C@H](N)C[C@@H]2CCC=CCCC2)c1	1999988572	RLPZONUGQOZOFM-ZIAGYGMSSA-N	249.423	4.583	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@@H]1CCC=CCCC1	1999992870	IXEMZRGWPGMQJQ-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
C[C@H]1CC(CC(=O)CCCC2CC2)C[C@H](C)C1	2000213385	IHRPLESIUVXZEX-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@H]1C=CCC1	2000503851	BICPJIHVYHKUAQ-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](CC)(CNC)CC1(CC)CCC1	2000505915	WDAVMVXVPVQTMP-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H](C)C1CCCCC1	2002935140	JTEWLXIFYPHZKY-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CC1(C[C@H]2CCCCCCCC2=O)CCCC1	2003070794	RSXLLFJTFNKSOM-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
CC[C@H](CC(=O)CC1(C)CCCC1)CC(F)F	2003179247	MLARUOIOWGVJHP-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H](C)C1(C)CCC1	2004822089	MXXQUWVEVKGABX-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC)C1(C)CCC2(CC2)CC1	2007694307	HCQLNORHUPQGLL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC1CC(C[C@@]2(O)CCCCC[C@@H]2CC)C1	2007756980	PPHYQPIMJGEVQJ-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)C(C)(CC)CC	2007939357	GXXZMORIORYNCC-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCCNCC1(C)CCCCCCC1	2009588498	KWPRUCHHXTVPLF-ONEGZZNKSA-N	237.431	4.683	0	10	BJAE	
CC=CCCC[C@@H](O)C1(C)CCCCCCC1	2009591378	JJAJNGDJLOYHJS-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C)[C@H](O)C1=CC[C@H](C(C)(C)C)CC1	2010724201	ZKLXSCSRGRAKDH-QEJZJMRPSA-N	238.415	4.556	0	10	BJAE	
CCC1CCC([C@@H]2CC(=O)CC(C)(C)C2)CC1	2012083587	IGODIZPZENGTAK-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)C[C@](CC)(CNCC(C)C)C(C)C	2012415780	DZGLYARAYGIUCD-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CCC[C@H](C)CNc1ccc(C(C)(F)F)cc1	2012747569	CGSHKFIYBOIUJE-NSHDSACASA-N	241.325	4.646	0	10	BJAE	
CCCC[C@@H](CC)NCC12CCC(CC1)CC2	2012788515	NXPGVXUJKCLZRL-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
Cc1sccc1C(=O)CC12CCC(CC1)CC2	2012796727	JHYZOHQKQYFWOD-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCCC(CCC)C(=O)CC12CCC(CC1)C2	2012803540	MAJCISUSZVDGEH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC12CCC(CC1)C2	2012810831	UFLFZSXBPDOVIV-FYRZTWFESA-N	238.415	4.534	0	10	BJAE	
CC(C)NCC1CCC2(CCCCCC2)CC1	2013211635	MUBOJLCEQUOCNO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H](C)C2(C)CCCC2)CC1	2014340098	PBJOMVVVHQXDNK-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC([C@H](O)C[C@@H](C)C(C)C)CC1	2015269353	HEDZQYBSOQWXKC-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)[C@H](CC)C(C)C	2015279577	YCPYDLKLRFVIPJ-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C[C@@](C)(N)C1(C)CCCC1)C(C)C	2015411434	ZUPMXAVTYBFXJF-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@](C)(CNC)CC(C(C)C)C(C)C	2015412950	RBDRLSFWVPAXAK-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1(CCC)CCC1)NC	2015639652	JASCMQRPFBLQLR-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CNc1ccccc1C1(C)CC1	2017471134	VWTZXSIOGWEZPS-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H](CC)C(C)C)CC1	2017663547	VMQVVGBTRGPXQT-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@@H](C)[C@@H](C)CC)CC1	2017663731	XQXNVIWOGADCIF-AJNGGQMLSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)C[C@H]1CC[C@H](C)CC1	2017714171	CSAUOJBZKFMNET-IHRRRGAJSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCCC(C)(C)C1	2018139450	RVZNHUYPNIIKMS-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CCCC1(CC(CC)(CC)CNC(C)C)CC1	2018981466	CJFDPSNVGRBAKX-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC1(CCC)CC1)C(C)(C)C	2018987525	LMFBDUWZOMAPPB-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCCCC1CC(N(C)[C@H](C)CC(C)C)C1	2019304448	VRAGYZGTXKLNTP-QQFBHYJXSA-N	239.447	4.712	0	10	BJAE	
CCC[C@H](C)N(C)C1CCC2(CCCC2)CC1	2019305773	NQSSUPVISORGGD-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
CC[C@H]1CC[C@H](CN(C)[C@H](C)C(C)(C)C)CC1	2019479983	HMVVYSSJUOZJPL-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@H](C2=CCCCCCC2)C1=O	2020400026	YVDXFCNIDAJZRE-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCCCN(C1CCC1)[C@H]1C=CCCCCC1	2020635107	IAGBCGRJIDDAKK-HNNXBMFYSA-N	235.415	4.530	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1C[C@@H]1C1CCCC1	2022453048	BXGWXRUVROCYJZ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)C(C)(C)C1CCCC1	2022553658	HVTMNZFGOIOSGB-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CCCCC(C)(F)F	2023434709	QPKGUOUAJVNJDE-CYBMUJFWSA-N	249.389	4.568	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)CCCC2CC2)C1	2024093428	BMUCHNJIRAKVKF-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C)CCC1CC(C)(C)CC(C)(C)C1	2024100519	DBKOOHBGNBPDPH-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@]2(O)CC[C@@H](C(C)C)C2)CCC1	2025573650	WXKSMMYTCJOOJA-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CCC[C@@H]1C[C@@H]2COC[C@@H](C2)C1	2026055055	DTHGXWBECYEPER-MUJYYYPQSA-N	236.399	4.576	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1cc(C)oc1C	2026075578	XKRVPCANMKDZHH-XHDPSFHLSA-N	237.387	4.503	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2C[C@H]3CCC[C@@H]32)n1	2026526042	BTULJQSGUVUGGI-UZGDPCLZSA-N	249.423	4.635	0	10	BJAE	
c1sc([C@@H]2C[C@@H]3CCCC[C@H]32)nc1C1CCC1	2026543744	DAHQUWKCPRRCAI-YNEHKIRRSA-N	247.407	4.704	0	10	BJAE	
CN(CC1CCC2(CC1)CC2)C1CCCCCC1	2026963909	FDROOOIYOPYRMT-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H](C)[C@@]12CCCC[C@@H]1C2	2027024130	ZULVTTJGWAEJBR-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1ccc(C2CC2)cc1	2028599214	XZQKKQZALPPEJG-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CC[C@@](O)(CCCCCC1CC1)c1ccccc1	2028618750	JIJLXRUJFBCAQQ-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
Cc1ccc([C@@](C)(N)CCCCCC2CC2)cc1	2028635713	BUBUDKYUZJJZQY-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)C[C@@H]2CC2(C)C)cc1	2032366813	WDCADORMRZDMQG-MAZHCROVSA-N	246.394	4.670	0	10	BJAE	
CCc1ccc(NC2CC(C3CCCC3)C2)cc1	2033781669	LGXHJIAEDJLOED-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCCC3(CCCC3)C2)C1	2034369870	ASQDRSWPLMBNSB-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CC[C@H](C)[C@@H]2C(C)C)c1	2035406270	AQWIGCPAQYLPDE-MAZHCROVSA-N	249.373	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)c1cccc(C(C)C)c1	2035416275	ZFQOKTWICAWLGG-NVXWUHKLSA-N	245.410	4.564	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@@H]1C[C@@H]1C=CCCC1	2035599315	MOELPKOZQCKBDO-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
C1CCCCC(NC(C2CC2)C2CC2)CCCC1	2035890006	GCIOHWGFEPYDNL-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)C1=CCCCCCC1	2037074651	VSFXYIDQTFLLLT-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1ccc(CC(C)C)cc1	2037096460	FBONPERYMLQWJB-RHSMWYFYSA-N	247.426	4.711	0	10	BJAE	
N[C@]1(CCC2=CCCCC2)CCC[C@@H](C2CC2)C1	2037171467	IUVKMSGOAKQRME-SJORKVTESA-N	247.426	4.565	0	10	BJAE	
C[C@H]1CCc2cc([C@@H]3CCC(C)(C)C3)ccc2N1	2037692450	FOUADUIJWHDLLP-SWLSCSKDSA-N	243.394	4.727	0	10	BJAE	
N[C@H](CC1CC2(CCC2)C1)C1CCCCCCC1	2038083710	SGLYMTUQJHVKSU-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(F)cc(NC[C@H]2CC23CCCCC3)c1	2039052555	XDWOFGDKYDTPCF-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC23CCC(CC2)C3)C1	2039419117	BLTJVDQRIIYWFH-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@H](N)[C@]2(C)CC=CCC2)C1	2042019962	SPXGHULXQNTYRU-DRRXZNNHSA-N	249.442	4.523	0	10	BJAE	
CC1CC([C@@H](C)Nc2ccc(C3CCC3)cc2)C1	2043546989	MHBNXERPRJPSCP-MFOWVQHXSA-N	243.394	4.801	0	10	BJAE	
C[C@@H](N[C@H]1CCC2(CCC2)C1)C1CCCCCC1	2043605090	KTDJJCONCJVEGG-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)C[C@@H]1CCC=CCCC1	2045315767	XKBQYCCJMLEPDA-QLFBSQMISA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C23CCC(CC2)CC3)C1	2045502652	VFXKDQKUMMAIKU-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C2CC3(CCCC3)C2)C1	2045506126	OVDIRTONKIIBJX-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C[C@H]1CC12CCCCC2)C1CCCCCC1	2047015665	KJOUTNCETBSHHB-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2[C@H]3CCCC[C@H]32)CC1	2048440677	BJLJPWCNUKMKSD-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@]1(C[C@@H]2CCCC3(CC3)C2)CCCN1	2049851949	AXGQXTRNFANJIR-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)C[C@@H]1CCCC2(CC2)C1	2049941695	ZJDGYMXUWIMANU-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCN(C[C@H]2CCC=CCCC2)C1	2051369839	PKPAFQIFTPWMGZ-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CN[C@H](C[C@@H]1CC12CC2)C1(C)CCCCCCC1	2052479865	LKNRJOXKNZNWJF-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C1CC2(CC2)C1)C1(C)CCCCCCC1	2052501527	XMNGJCNLDKBPOE-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)[C@H]2CCCCC23CCC3)C1	2053410252	DQOYUIIAZONTPS-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@@H]2C[C@@H](C)C[C@@H](C)C2)C1	2054989977	YZDMSSYWKGFOOH-BPKGMFCQSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)[C@H](NC2CC(C)(C)C(C)(C)C2)CCC1	2055543400	YQYZYLHSHYECIP-OAHLLOKOSA-N	249.442	4.680	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1CCC[C@H]2C[C@@H]12	2057353907	MJXPZOJFBZKBIC-ZOBUZTSGSA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C)CC1)C1CC(C)(CC)C1	2060921147	JERIBGBNEFXRSR-PXZKZTPFSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(N)(C2=CC[C@@H](C(C)(C)C)CC2)CC1	2061113049	LFWAUHQQBFCNIW-XOYHFGRZSA-N	249.442	4.667	0	10	BJAE	
CC1([C@@](C)(N)CC[C@@]23CCC[C@@H]2C3)CCCCC1	2061616631	KUFYXQYAYZGRFV-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCCC12CC2)C1CC(C)(C)C1	2062017619	AHCIRRWMPAHEED-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@H]1CCCCCC12CC2)[C@H]1CC1(C)C	2062019885	KYYLHXSNJVNCBD-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H]1C[C@@H](CC2=CCCC2)CC(C)(C)C1	2063643847	WWRIKBPJVRBGDJ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC1(CNCC23CCC(CC2)CC3)CCCC1	2065300140	JMGJGSAOLVFTBK-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068712005	ZHIVYTKQJHSSNE-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)C)c1c(C)cc(C)cc1C	2068824104	XJEIFJIFHHXGNA-CJNGLKHVSA-N	247.426	4.555	0	10	BJAE	
CC(C)C(C[C@H](C)[C@H](N)c1ccccc1)C(C)C	2069019401	OSMFWPZNQMQVDJ-YOEHRIQHSA-N	247.426	4.641	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@H]2CC23CCC3)CC1	2069177417	VANJCGOIAZZEFR-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCC1(CC2CC2)CC1	2069498990	ZOGQXVMFNMDEHJ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CC[C@H]1C1CCC1	2071788468	UOVSBLIGUJOBMJ-DOTOQJQBSA-N	243.394	4.801	0	10	BJAE	
CC1(CN[C@H]2CC[C@H]2C2CC2)CCCCCCC1	2071792864	DCKNNBRLNKJKEK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)CC2(C(C)C)CCC2)c1F	2071917469	KXSVWLKETVSOGH-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)C1(C[C@@H](N)C2CCC3(CC2)CC3)CCC1	2071951269	SSFQNWGTBXUNQD-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CN(C)C1CCC2(CCCC2)CC1	2072407752	AYWUIXVOGDXYMB-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC[C@H]1CC[C@H](CNC[C@@]2(C)CC=CCC2)CC1	2072682708	XOIGKYCGNREVFZ-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@H](O)c2ccccc2)CC1	2072786092	OGIMKDMTSOFAEG-ZOBUZTSGSA-N	246.394	4.717	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)c2cocc2C)CC1	2072881900	OQQRMUBJWXXGOL-HDJSIYSDSA-N	248.366	4.767	0	10	BJAE	
CCCC1(CN2CC[C@]23CCCC(C)(C)C3)CC1	2074593550	LKDPAINWVLSNSD-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)c1ccoc1C	2074645513	CACVSSAXDHYYFH-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
C1=C[C@@H](N[C@H]2CCCC3(CCCC3)C2)CCCC1	2075365085	KPICHKUNPQWIEI-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1ccc(C)cc1C	2077185674	UNHWSJXPLDPCLB-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CC[C@@H](Nc1ccccc1C1CC1)C1CCCC1	2077262192	OBLNZMWYKVOUCU-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CCCCc1ccc([C@@H](C)[C@@H](C)NC(C)C)cc1	2078005609	NTENOLHFDKDTOR-LSDHHAIUSA-N	247.426	4.519	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1C[C@H]1C1CCC1	2079331789	GOYDMUPKTNMQQC-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
O=C(C1CCCCCC1)[C@H]1C[C@@H]1C1CCCCC1	2079493295	WSSFUODEOQWWRT-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2C[C@@H]2C2CCCC2)C1	2079667571	XWUBSGILWGYTAC-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CC1(CC[C@@H](N)[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079795378	WGEGQOAYSCRELU-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H]2C[C@H]2C(C)C)cc1	2080024384	BMYSZEYEMWMHFF-LXZKKBNFSA-N	245.410	4.904	0	10	BJAE	
N[C@]1(CC2CCCCC2)CCC[C@@H]2CCCC[C@@H]21	2081133796	SCUPPXUFUOUWGE-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCCCC12CC2	2081941975	HBQGNFRWUXINKC-HNNXBMFYSA-N	247.357	4.523	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CCCCCCC1CC1	2213577370	ZTSMYKXIZQXIPB-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCCCCC1CC1	2213596889	XNNKFBFFUGYBDN-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
Clc1cccc(NC2CCC(C3CC3)CC2)c1	2213700293	ILMMZGYXEVNLHU-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CCCCC1CC1	2214586479	WKAHYUXSORTFRL-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC1(C)CC2(CCC2)C1	2215460193	DJQDBBPAUGLHOE-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(CCC2CCC2)C1	2216258422	PPWGUEWNPBBMEJ-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C1CC1)[C@H](N)CCCCCCCC1CC1	2216877172	JCNAJLXDJWBRRZ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCCCCNCCCCCCCC1CC1	2216883770	NVLSYZRWVKNSDE-UHFFFAOYSA-N	239.447	4.907	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1CC[C@H]1C1CCC1	2218718789	RDLQFGYPANSCBT-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC1(C2CC2)CC=CC1	2219245172	DLDFCMSIDUGLIK-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCCC1CC1)[C@@H]1CCCCC12CCC2	2220016768	QZRDFUBXRDGQAR-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
N[C@@H](CCC1[C@H]2CCCCC[C@H]12)C1CCCCC1	2220288449	JZXRTOWYKSIJDB-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2220959316	KJPBFZLNAODXON-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)C(C1CCC1)C1CCC1	2220964019	VVCUJLQQSJUQPK-SWLSCSKDSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@H](N[C@H]2CCCC[C@@H]2C(C)(C)C)CC1	2221663708	UBQINMXWAHOORE-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CN[C@H](C)C(=CCCCCCCC2CC2)C1	2223111033	RQRZFTDNSHPZFN-LSDHHAIUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)C[C@]1(CNC2CCC2)CC=C(C)CC1	2223552052	UIVQKRLMNKPQES-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]([C@@H](CC)CCC)[C@H](C)CCC	2244783995	MDOYBNNSZBAJGP-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)C(C)(C)C	2244844666	DIHUGLMWJTWOHF-KGLIPLIRSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC1(C)CC(C)C1	2246584081	IAZKSBMXTXXUGW-UIDBIOKJSA-N	239.447	4.747	0	10	BJAE	
CCCNCC(C)(C)CC[C@H]1CCC[C@H](C)C1	2246662568	HAYSPNXVVWWVIU-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1C[C@H]1CCCC[C@@]1(O)CCC[C@@H](C)CC1	2247130017	RXRRKDVJKMDURB-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)CC1(C)CCCC1	2247175140	YWRYKOKMCWKFBY-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC1=CCCCC1	2247511256	MJXQJSRBXISEMJ-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CC1(C(C)(C)C)CCC1	2250373111	SOBJRGRSCXPFNR-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CC1CC(C)(CC(=O)c2cccc(C3CC3)c2)C1	2253679467	JZJBSVALZDITHA-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC1(C)C[C@@H]1C[C@@H](N)CC[C@H]1CCCCC12CC2	2253821479	LTINRFUSENEBQB-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](N)CC2CC3(CCCC3)C2)C1	2254077042	QMKGRGIZQHXNKY-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNc1ccccc1C1CC1	2254513209	RXHDVKXRIXSWEM-UKRRQHHQSA-N	243.394	4.802	0	10	BJAE	
CCN(CCCC[C@H]1C[C@H]1C)c1cccc(C)c1	2254578977	CUIGJENMFIRZER-CVEARBPZSA-N	245.410	4.648	0	10	BJAE	
CCc1cccc(CC)c1NC[C@@H]1CCC1(C)C	2254955622	WRFLUCLIOPLTIB-HNNXBMFYSA-N	245.410	4.660	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@H]2CCC23CCC3)C1	2255025884	PAEBBSODMFZBOJ-BZUAXINKSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2CCC23CCC3)CC1	2255027765	URLWLJZIQXDFKS-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(NCCCCC[C@H]2C[C@H]2C)c(C)c1	2257332470	WLHOCFBPJOMMEX-ZBFHGGJFSA-N	245.410	4.932	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1CCC2(CC1)C[C@@H]2N	2257339875	LUQDLRFDLRUURJ-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1cccc(C(C)(C)C)c1	2257908846	UFHKXJMFUXYFHA-UONOGXRCSA-N	245.410	4.832	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]2C2CCC2)cc(C)c1C	2258233487	OGUKBCJJTMORSC-IAGOWNOFSA-N	243.394	4.602	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@@H]1CCC(C)(C)C1)C2	2259580057	JARDRULHHISLKK-OPFKTAGGSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C(=O)C[C@@]23CCC[C@@H]2CC3)CC1	2260573644	IZPMKSBGJMUZKD-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@@]12CCCC[C@H]1CC2	2260579568	RYQNTVJUSDNTQZ-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@]12CCC[C@H]1CC2	2260652137	PSKSIPWVTHZZCB-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@](C)(O)c1cccc(C2CCCC2)c1	2260731193	OJTLZYCGRYBKFL-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCC[C@@H](C)c1nc2ccc3ccccc3c2[nH]1	2263177118	PDCAWJYYOLPJST-LLVKDONJSA-N	238.334	4.620	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1cc(C(C)C)ccc1C	2300462364	AWRMWTRDAWQQFU-DZGCQCFKSA-N	231.383	4.719	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@H]1C[C@H]1C(C)(C)C	2300501135	JZYLTRHMTQQSPO-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CCCC[C@H]1CC	2300678468	KQQPZVGTZNJZIQ-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@H](O)CC12CCC(CC1)C2	2300688920	RXGKFZRFNVICQH-HWOWSKLDSA-N	238.415	4.534	0	10	BJAE	
CCC(C)=CC[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C	2300882457	VMWRPOYONKRCTN-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CCC(C)=CCN(CC(C)C)c1ccccc1	2300884430	SRIADYAFRRUTJN-UHFFFAOYSA-N	231.383	4.505	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@H]1CC=C(C)CC	2300899888	SBHQLTNRDZKEPK-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(=CCC1(N)[C@@H](C)C[C@@H]1C)CCCC(C)C	2301032754	ZPQRFZXDEJGDHN-GJZGRUSLSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)C[C@H](C[C@@H]1CCC(C)(C)C1)NC	2302748730	QGBCHJFDPUUURB-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCN(C)[C@H]1CC(C)(C)[C@@H]1C	2303254736	QHHYRWROGSVHNG-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@@H]1CC[C@H]1C(C)(C)C	2303513592	QQTGFPLVTHMTMQ-WOSRLPQWSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1C[C@@H]1c1csc(C2(C)CCCCCC2)n1	2307694766	OMYXUIFCWNJXFQ-RYUDHWBXSA-N	249.423	4.878	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2307903576	QDVJNFCXCRSGSR-LEOABGAYSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@@H](CC)CCC)[C@H]1C	2307910143	XJRJPWQMAXYTMQ-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@H]1CC[C@@H]2C[C@@H]2C1	2309138824	RUGCSVUJQLMJAZ-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCC[C@@]12CCC[C@@H]1C2	2310374309	UAHOVFOMSIINTG-USXIJHARSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@]23C[C@H](C)[C@@H]2C3)CC1	2311021545	UGGYONKJSZQIGR-IASGZQPQSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313187983	DLNIIBRQVTUGAX-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)C[C@H]1CCCCC12CC2	2313644833	LGQDWHFAHOCISM-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1C[C@@H]1C1CCC1	2316510495	MROZBACVDSJMAD-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1C[C@@H]2CC[C@H]1C2	2316541507	GXTUADJAKKHYAJ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)C[C@H]2C=C[C@H]1CCC2	2316731053	UVQKBNDYJQRKOR-KCYZZUKISA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317154045	DQKGTPCQUJFTIL-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
C[C@H](NCCCC1=CCCCC1)C1(C)CCCC1	2318510173	IKALYAUUXSKNMV-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)CCCC2=CCCCC2)CC1	2318587674	BSEGWUXLZZIWDA-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](CCCCCC1=CCCCC1)C1CC1	2318595930	ULEVWLKYJDNAOA-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@]23CCCC[C@@H]2CC3)C1	2319286209	HPGLTIOXRYFMOY-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@](CN)(C[C@H]2CCC[C@H](C)C2)CC1	2320267312	DLMOWNYRCOJUBD-JQFCIGGWSA-N	249.442	4.668	0	10	BJAE	
CCc1cccc(NC[C@H]2CC[C@H]2C(C)(C)C)c1	2320320149	LPDSTRFTLLUDGJ-GDBMZVCRSA-N	245.410	4.733	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC(C)=C(C)C1)C1(C)CCCC1	2320387368	GMZBAOCJGLWILH-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@H]2C[C@@H]2C2CC2)C1	2321625691	CKXCAOVSJQOVLV-DUVNUKRYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@]2(O)CCCC2(C)C)c1	2327702205	VUCAOUMBIYMOQO-QGZVFWFLSA-N	246.394	4.516	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C[C@H]3CC[C@H]2C3)c1F	2327778380	OTJWZRVGOCQQMH-SLEUVZQESA-N	247.357	4.550	0	10	BJAE	
CCCCc1ccc(N[C@H](C)CC(C)C)cc1	20565448	DGKGILLQKBEISS-CQSZACIVSA-N	233.399	4.876	0	10	BJAE	
C[C@H]1CCC[C@@H](C)C1Nc1ccc(Cl)cc1	21043111	UAHDIOSUMQONME-BVUQATHDSA-N	237.774	4.577	0	10	BJAE	
CCCCC[C@H](NC)c1ccc(CC(C)C)cc1	35459556	NZMPRHWUFDPANT-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1ccc(C)cc1C	68860315	FMZSHBGYLHMNPB-WBVHZDCISA-N	248.410	4.943	0	10	BJAE	
CC(C)CC[C@@H](C)NCCC1CCC(C)CC1	70538442	MCOOGAQINYEYOQ-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C(C)C)[C@@H](C)NCCC	71084428	JXAKHIUWCNSEMF-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Cc1ccc([C@H](C)NC2CCC(C)(C)CC2)cc1	79627103	OAAPKWAXQIWYPS-AWEZNQCLSA-N	245.410	4.614	0	10	BJAE	
CCC[C@]1(CCC(C)(C)C)CCCCCN1	85876203	JWXXVHUWIPQUOU-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@H](c1cc(C)c(C)cc1C)C(C)(C)C	86494895	UNODLUAIKQKJLB-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CCc1ccc(COc2cc(C)cc(C)c2)s1	87439618	YFNMUEUFZJLRKD-UHFFFAOYSA-N	246.375	4.506	0	10	BJAE	
CCC1CCC(C(=O)C2CCCCCC2)CC1	87946363	FENYVSMOLYBFOO-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCc1ccc([C@H](CC)CC[C@H](C)N)cc1	107478967	IVLNRXCFROLFOZ-GOEBONIOSA-N	247.426	4.650	0	10	BJAE	
O=C(CCC1CCCC1)c1cc2ccccc2o1	125382286	QUBUMLMEBAMAMS-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCCC[C@@H](CC)CCC(=O)C1CCCC1	127264106	KKJRVLLSBDNPSN-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
Cc1cc(C)c([C@H](O)CC2=CCCCC2)cc1C	161094473	QAQCSWGPNBJDKT-QGZVFWFLSA-N	244.378	4.536	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)c1ccc(C)c(C)c1	162204516	KSVVMVIMABMDKG-CXAGYDPISA-N	247.426	4.780	0	10	BJAE	
CCN[C@@H](CC(C)C)c1cc2ccccc2s1	168116675	UMSBDKKZOPZRPT-ZDUSSCGKSA-N	247.407	4.598	0	10	BJAE	
C[C@H]1CC(CC[C@@H](N)c2ccccc2)C[C@H](C)C1	220380430	IKJOGECLVIWDQC-CKEIUWERSA-N	245.410	4.539	0	10	BJAE	
CC(=O)c1c(C)sc2ccc(C(C)(C)C)cc12	222525558	YCLKWYWFZMXHOU-UHFFFAOYSA-N	246.375	4.710	0	10	BJAE	
CCCC[C@@H](CCC)n1c(C)ccc1C	225865881	GIFWSRHDPACOBP-CQSZACIVSA-N	207.361	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@@H](C)C(C)(C)C)C1	229478388	ZZUULIJJYXRGMW-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
Cc1ccccc1N[C@H]1CCC[C@H](C(C)C)C1	230986432	XHRGVIUFRSHULK-GJZGRUSLSA-N	231.383	4.622	0	10	BJAE	
CCC(CC)[C@H](NC1CC(C)C1)c1ccccc1	232893380	URBKBTVOGUDKFO-IMRCBTMISA-N	245.410	4.552	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1c(C)cccc1C	234070645	TWSATKKWTHJCNA-LSDHHAIUSA-N	244.378	4.703	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](C)CC[C@H]1NC	251277618	DSKQHDUBSYPXCJ-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
Nc1ccc2ccc(F)cc2c1C1CCCCC1	258315610	UBGRJPBPOVDZLH-UHFFFAOYSA-N	243.325	4.609	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCC(C)(C)C	300895227	QDXWZVVSFGIWLS-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](C[C@@H](N)CCC1CCCC1)CC(C)(C)C	302249644	KFJZCRFNFWMMJU-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)CNCc1ccc(C(C)C)cc1	302305389	HSQBASMVMFWYLP-HNNXBMFYSA-N	247.426	4.582	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H]([C@@H]2/C=C/CCCCC2)C1	302403790	KEUDYEAISOGOLA-LEFAGMOQSA-N	248.410	4.764	0	10	BJAE	
C1=C(CCNCC2CCCCCCC2)CCCC1	305929015	OECARIFPVOHGEE-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CCc1cc(N[C@H]2CCCC[C@@H]2C)ccc1C	305983727	IGRJSUDKDIZECA-BBRMVZONSA-N	231.383	4.548	0	10	BJAE	
Cc1cc(N)ccc1S[C@@H]1/C=C/CCCCC1	306055677	XLIVERITKKKOEI-HZRUHFOJSA-N	247.407	4.558	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@H](CCC)CC(C)C	308049950	LDDZAYGRWOHQHN-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CCCNCCCCC1CCC(C(C)C)CC1	310440025	WCIITQVRRRFLPF-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C(C)(C)C(C)(C)C	310586393	VXYJBBDRGBGWJH-KGLIPLIRSA-N	241.463	4.993	0	10	BJAE	
CC(C)C1CCC(C[C@H](N)c2ccccc2)CC1	310719973	HUWWXNLCAUPLRC-DQPZFDDXSA-N	245.410	4.539	0	10	BJAE	
CCCNC[C@@]1(CCC(C)(C)C)CCC[C@@H]1C	317744975	OFRSYDKINSSPMS-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)[C@@]1(CNC(C)C)CC[C@H](CC)C1	317820523	CDDLOQWMNPCWDH-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)NCC/C=C/c1ccccc1	322940041	PGXPXGGMBZLRCN-BPLPYTOXSA-N	245.410	4.504	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@@H](CC2(C)CCCC2)C1	380134413	FBQMDXHJFOTKFY-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](c1ccccc1C(C)C)C(C)C	380207137	SNTZULDDAFPHIB-INIZCTEOSA-N	233.399	4.507	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC[C@H](C)[C@H](C)C1	383206110	AXSBMDCIUSOHDP-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(CCCCCC(C)C)C1	383222965	FWUPPJBBSKYDCD-CVEARBPZSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@@H](C)C1)C(C)(C)C	383524945	PBOZTEYLTFBTEM-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC/C=C/CN[C@@H](CCCC)c1ccc(F)cc1	384768728	BMSSICHSORUPGA-YERXGYGTSA-N	249.373	4.613	0	10	BJAE	
CCC1CCC([C@@](O)(CC)C2CCCC2)CC1	387583022	QIVFMWTXLAOTEF-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](O)[C@@H]1CC[C@H](C)[C@@H](C)C1	395121916	LGZCMCLDHWOSEW-BYNSBNAKSA-N	240.431	4.636	0	10	BJAE	
CCc1cc(SC)c2cc(CC)sc2c1	396170394	OLDHWNMRIHFSJN-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1ccc2sc(SC)cc2c1CC	396177120	JRGHQKMWBYGVEJ-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CSc1sc2cc(F)ccc2c1C(F)F	396233651	FBHKBJJQGOSZLS-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1cc2cc(F)cc(C(F)F)c2s1	396234493	GMZDJIWPQYSHLH-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1cc(C(F)(F)F)c2sc(F)cc2c1	396298429	MNEJWVBGNRWLDM-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1sc2ccc(C(F)(F)F)cc2c1C	396304736	NRCJKYJENYXTRR-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCN[C@@H](c1ccc(C)c(C)c1)[C@@H](C)C(C)(C)C	399174227	MJMSULUIGNQZQW-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
CCNC[C@]1(C[C@H]2CC=CCC2)CC[C@H](CC)C1	402290614	YGXSXQOECNKCMD-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@H](C)C(C)C	688914881	NSEXCVBVSGIXCS-PBHICJAKSA-N	247.426	4.753	0	10	BJAE	
C[C@@H](CC1CCCCC1)Nc1ccccc1F	689734681	AGKRGGWEZZRABP-LBPRGKRZSA-N	235.346	4.597	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1cccc(C)c1F	691139759	PRAKPRQACHIHTN-KGLIPLIRSA-N	249.373	4.905	0	10	BJAE	
CCc1ccc(N[C@@H](C)c2ccco2)cc1Cl	691265464	PWOZXBNCUSSJKX-JTQLQIEISA-N	249.741	4.669	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H]1CC2CCC1CC2	691749413	JILITQCVAXAXIC-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)NC[C@H]1CCCC[C@H]1CC1CC=CC1	692011136	QUKKMZLVIDODLV-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@H](C)C1CCC1	692795081	MYRBSDJXNRYDTN-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1ccsc1Cl	696713381	QKTVMHCBZQWQSG-SNVBAGLBSA-N	246.803	4.651	0	10	BJAE	
CCCN[C@@H](CCC1CCCCC1)[C@@H]1CC12CC2	698139526	LDCVXRHSAJQMKM-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1	699797930	ILGAJPYPPUWOSP-HUUCEWRRSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@]1(C)C[C@H]1C	704323926	ZAYCISNNXKCMNU-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@@H](O)[C@@H](C)CC(C)(C)C)c(C)c1	704687564	WYSWCOYXAWVFDB-HOCLYGCPSA-N	248.410	4.718	0	10	BJAE	
c1cc(OCc2ccsc2)c2ccsc2c1	705066944	PQEAONGZFSXGEE-UHFFFAOYSA-N	246.356	4.542	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)C1CC(C)(C)C1	706193698	DEWKYKUOQADHQV-MRXNPFEDSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC[C@@H]2CC=CCC2)CC1	706869231	OQBPIEKBAULSQU-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@H](C)CC(C)C	708315147	SXBVHMXFFCRYSF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)C[C@@H](C)C1CCCCC1	708322661	AYMWKLQIDPVDBE-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC)CCC[C@@H](C)CC(C)(C)C	709188813	NZUOFQVAXMYTQS-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
C[C@H](CN[C@H](C)CCC(C)(C)C)CC(C)(C)C	709254678	RAAPDHVLAAXCPU-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cccc(C(C)(C)C)c1	709466768	QVOSBVJTKQTMMH-BBRMVZONSA-N	248.410	4.844	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@@H]1CCCC2(CC2)C1	710238390	DAAHEMZOANRZCV-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCC1CCCC1)CC(C)(C)C(C)C	713215288	HGJQGKPKZMOSKN-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H](C)C(C)C	718601264	LWCLZAOXVGKEBY-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CCC[C@@H]1C	720990150	OJCAYSYBGCJYBS-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1c(C)csc1C	724984248	NCYKETSPHBNTBF-CYBMUJFWSA-N	240.412	4.615	0	10	BJAE	
c1ccc2nc(SCCCC3CC3)ccc2c1	1307257367	DARPKSFWWQBWIM-UHFFFAOYSA-N	243.375	4.517	0	10	BJAE	
CC(C)[C@H](C)SCC1CCC(F)(F)CC1	1458966452	BGSRLZJUWRCVAF-JTQLQIEISA-N	236.371	4.590	0	10	BJAE	
CC1(C)CCC[C@H](CNC2CCC3(CC2)CC3)C1	1662391500	WFSCPTVVCUUWPA-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(Cl)cc1CCCC(C)C	1889460145	GWLTYLSFNTUDOR-UHFFFAOYSA-N	210.748	4.627	0	10	BJAE	
CCc1cc(CCC(C)=C(C)C)ccc1C	1899959579	XBYHDXIPPDSWGG-UHFFFAOYSA-N	216.368	4.846	0	10	BJAE	
CCCC[C@@H](CCCC(CC)CC)NCC	1900697655	QJBGGEPSUXXCJM-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCC[C@H](CC)C1	1900699975	GGYHTKSKGHLPSB-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
C=C=CCCCC(C)(C)Cc1ccccc1	1901207830	CBVGKAIPGQNONX-UHFFFAOYSA-N	214.352	4.767	0	10	BJAE	
Cc1sccc1OCC[C@H]1CCC[C@@H](C)C1	1904924700	GNVAHFVHYUHOGD-DGCLKSJQSA-N	238.396	4.652	0	10	BJAE	
CCC1CCC(C(C)=CCCNC(C)C)CC1	1905733413	WNGAOYCEYRNSPL-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
C[C@](N)(C[C@H]1CC[C@H](C)CC1)C1CCCCC1	1909703105	KIJBUUYFRFJPSJ-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1C[C@H]1C1CCCC1	1910810000	UWZDPTRYRCJJRF-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1C=C(CNC(C)(C)C)C1CCCCC1	1912054863	FCIJJFDIRSVNSI-UKRRQHHQSA-N	249.442	4.537	0	10	BJAE	
CC(C)CNC[C@]1(CC2CCCC2)C=CCCC1	1916608660	HNYGGMUCBQJDMZ-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCC1(C[C@]2(CNC)CCCC23CCC3)CCC1	1921586047	KYMUMYHPEITSJW-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H](C)C1CCCCC1	1924076530	VUFTWFXHFCIAPM-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(F)cc1C(=O)[C@@H](C)C1CCCCC1	1924100000	VBRABOARRLCNHR-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
Cc1ccccc1CC[C@@H]1C=CCCCC1	1925814268	JMEQGRMQJFBTRB-OAHLLOKOSA-N	214.352	4.674	0	10	BJAE	
CCN[C@H](CC(CC)CC)CC1(CC)CCC1	1926381521	BSELUZBKSFJKTN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CSc1ccc(NCCC[C@@H]2CC2(C)C)cc1	1940877512	RBLNYCRJNQSIQQ-GFCCVEGCSA-N	249.423	4.647	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)CC1CCCC1	1940877600	QKGDYJSPCAZLGH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(CCC[C@@H](N)C2CCCCCCC2)CC1	1940877933	SYVOCECZAMXFHM-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CCC[C@@H](C(C)C)C1	1941356989	CQSMDIJTMNYYTQ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)CCC1CCCCC1	1942653220	OIVOPVAJYGGBIN-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CCN[C@@]12CCCC[C@@H]1CCC2	1944190738	YDYXBHXHTZLXCN-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@H](N)C(C)(C)C1CCCCC1	1944664135	AIWPVVKBFGFIFW-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCCC1(CNC(C)(C)C2CCCCC2)CC1	1945379111	HJSKXIOOTKUFJU-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1cccc2sccc12	1945954774	APUDUDHSUGLUOH-ABAIWWIYSA-N	248.391	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NC1CCC(C)(C)CC1	1947462929	DIZVFCSEQIGYBL-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCCC1([C@H](N)[C@@H]2CCCC[C@@H]2CC)CCC1	1948926649	DYBOWOYGXUAFPF-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@H](N)c1csc2ccccc12	1949000196	YXIMMLXXDADVHC-ZETOZRRWSA-N	247.407	4.583	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H]2CC[C@@H](C)C2)CC1	1949505350	JOKRHLNVCZHAGY-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CC12CCCCC2	1950598809	JEUXYRJPNWFJQG-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC=CC[C@@H](CCC)c1cccs1	1957377771	IKALKZHVPBMDLF-GFCCVEGCSA-N	208.370	4.988	0	10	BJAE	
Cc1cc(C)c(CNC(C)(C)CC(C)C)cc1C	1963004589	AIUMKVYXQOGTKT-UHFFFAOYSA-N	247.426	4.526	0	10	BJAE	
Cc1cccc(C)c1CN(C)[C@@H](C)CCC(C)C	1963009388	IWEQZDQLUMMRRQ-INIZCTEOSA-N	247.426	4.560	0	10	BJAE	
C1CCCC(CCN[C@@H]2C[C@H]2C2CCCC2)CC1	1967828004	OOQKQLHZQLHONT-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1CCC(C)(C)C1	1968352511	YDPPEDKLBWHOFC-CQSZACIVSA-N	231.383	4.542	0	10	BJAE	
CCCc1ccc(NCC2CC3(CCC3)C2)cc1	1968407752	HSSNNVRPBDOQGP-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
C[C@H](CN[C@H]1CCCC2(CCCCC2)C1)C1CC1	1969013363	HWRVSZXPOHTNRH-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1NC[C@@H]1CCCCC12CCC2	1969961383	JYHDVXLNTXNRIE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC1CCC2(CCCCC2)CC1)[C@H]1C[C@H]1C	1970898365	VSLSGDMHTXUYSO-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(CN(CC)C[C@H](C)CC)CC1	1971367749	CHMOROJLBICDNR-QQFBHYJXSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C=CCCC1	1977151536	BUHZWPCFDPJULQ-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H]1CCCCCCC[C@H]1NCC	1980342431	SOZRFGIVGIYFND-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CC=C(C)[C@@H](NCCC)C(CCC)CCC	1983428797	MBPRZVLVQCKVOJ-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC=CCCC[C@](C)(CCCC)CNCC	1984633081	SQFHZCIKUKFCSF-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
Cc1cc(C(=O)CC(C(C)C)C(C)C)cs1	1988302612	MRDFCJBJFZYLFY-UHFFFAOYSA-N	238.396	4.558	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C(C)(C)CC)CC1	1989785410	NNJNDBCRZZOYDH-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CCCC1(CC(=O)[C@H](CC)CC(C)C)CC1	1990592115	XBXKHLZLYZYWHG-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CCC)NCCC	1995203591	LJUSUBCJQANBPM-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC1([C@](C)(O)C2=CCCCCC2)CCCCC1	1995990923	LFTMZTZLHCRRNG-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H](C)C1)CC(C)(C)C	1996259194	FMQNSLOVQBHFNU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](N(C)CCC(C)(C)C)C1(C)CCCCC1	1997187441	REXZYCZLNVSTLP-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CN(C)[C@H]1CCC[C@H](CC)CC1	1997205323	MMNMQPITTGAHBP-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC1CC(C(C)(C)C)C1	1998260460	MPCCGYHCWSYOOD-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)[C@H](C)CCC(C)C)C1	2000190291	LMCZHQHQKMGBQE-CFVMTHIKSA-N	236.399	4.620	0	10	BJAE	
CCCC[C@H](CC[C@H]1CC12CCCC2)NCC	2001218450	XFIXNEVZVXFHOQ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCCCC(F)(F)C1	2003180883	FFFJJYBVLHKVME-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC1(N)CCC(CC)(CC)CC1	2004344087	BZRWTHKUZFLHNE-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H]1C[C@@H](C)C[C@@H](CCCCCC(C)C)C1	2006621474	BALQDWGCDHXDBA-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)CC(C)(C)C	2007933799	DBRYQVOZWYWQNH-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](CCC2=CCCCC2)C1	2012080294	BULOHWUZEXCDQM-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@H](C)CC(C)(C)C	2013269959	DGBNZQIBPLHGHP-HOCLYGCPSA-N	241.463	4.993	0	10	BJAE	
Cc1cc(C)c2[nH]c(C3(C)CCCC3)cc2c1	2014329863	VGEJDZWMTITANI-UHFFFAOYSA-N	227.351	4.616	0	10	BJAE	
CC(C)(C)CC1CC(N)(CCC2CCCC2)C1	2014657333	UILPQMFQMRFWOT-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)C1(CC(C)C)CC1	2015750576	VGUNJWDPSCGMJH-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@@H]1CCCCCCCC[C@@H]1O	2016312822	PMRFRMFWELPIKB-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)CC1(C(C)C)CCC1	2017114660	ODHUPHBGRBLVTB-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)C2CCCCC2)CCC1	2017138002	FEFMVRVCWLUNSP-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)C(C)(C)C1CCCC1	2017486595	LHMAANSDMFRAGV-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)[C@H]1CCC1(C)C	2018136954	QLPVUPIHECFDTH-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCCC1(C[C@H](O)C[C@H](CC)C(C)(C)C)CC1	2018975093	IQJCDEGIBSZOHQ-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@@H]2CCCCCCC[C@H]2O)CC1	2018977753	QFQILBOQTSOUNL-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCCCCC[C@H]1C	2019201585	SMSRAXQEDRCFBB-OAGGEKHMSA-N	237.431	4.610	0	10	BJAE	
CC(C)CCCCCN1CCC[C@@H]1C(C)(C)C	2019340934	UNFWCFDIZQZCOR-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCCN(C1CCCCC1)C1CCC(C)CC1	2020536571	ZNYJGNRSQBZVER-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCC)[C@H]1C[C@@H]1CC	2022260156	YGPZHIIMICYYLX-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC(O)(CC)C[C@H]1C[C@H]1C1CCCCCC1	2022455586	XRLMIHGTHLEMLV-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C)C[C@H](C)C[C@@H]1CCCC(C)(C)C1	2024090781	BKGSMAUYYJBUBL-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)c1ccc([C@H](CC)NCC)cc1	2025223191	KRWQPXPXEUUACV-INIZCTEOSA-N	231.383	4.561	0	10	BJAE	
Cc1cccc(C(=O)CC2(C)CCCCC2)c1C	2027292520	WTAYRESJANCFDL-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CC1(C[C@@H]2CCC[C@H]2CNC2CC2)CCCCC1	2027312546	WSZSZBJPMRSEIT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](O)c1cccc(C2(C)CC2)c1	2028560715	SPVDSQAIXBTZEZ-INIZCTEOSA-N	246.394	4.742	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1ccccc1C1(C)CC1	2028576538	JCBCJGKIKAWCGV-ZDUSSCGKSA-N	244.378	4.603	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2028982779	ZXKGLGPADJIYGW-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H](NCC2(C3CCCCC3)CC2)C1	2029743993	PUHZTUCYBUVHOF-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](c1cc(C)ccc1C)[C@H](C)CCC(C)C	2029822864	FNHLQLAAPHHWPD-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CCC[C@H](NC[C@]12CCCC[C@@H]1CCC2)C1CC1	2031809095	PBMRUGBIJDDKMO-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CCCCC12CCCCC2	2032661812	OYMLRRLZUWEGIX-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
C[C@H]1CCCC[C@H]1C1(N)CC(C2CCCCC2)C1	2033788198	TYWLZJAUDXYJSH-MHABSNSOSA-N	249.442	4.501	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)CC[C@H]2CCCC[C@H]21	2034258943	IYCROWFDDCZORD-OIISXLGYSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2C=CCC2)CCCC[C@H]1C	2035590572	KLQXDEGJDZONHU-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)C[C@@H]2CCC[C@@H](C)C2)C1	2037044584	BNGDWSJAKLNZLC-PEHHYFEISA-N	249.442	4.523	0	10	BJAE	
N[C@@]1(C2=CCCCCCC2)CCC12CCCCC2	2037075495	JXCXAPBBMYNLLN-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1c2ccccc2NC[C@H]1C	2037223624	JYFWCQWOICCHES-SQWLQELKSA-N	245.410	4.904	0	10	BJAE	
C=CC=CCC[C@H](NC)[C@@H]1CCCC(C)(C)CC1	2039384798	MEVOWTVXXCHYPW-CVEARBPZSA-N	249.442	4.703	0	10	BJAE	
CN[C@H](CCC[C@@H]1CC1(C)C)[C@]1(C)CC=CCC1	2042031766	WKACTHRYJKHWLP-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
N[C@@]1(C[C@@H]2CCC=CCCC2)CCCC2(CC2)C1	2045305452	PHFRIDUGHXGXCR-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CCCC1CC(C(=O)C[C@H]2CCC=CCCC2)C1	2045308995	XRXSSVZODPEGGI-FHERZECASA-N	248.410	4.908	0	10	BJAE	
CC(C)[C@@H]1CCCCN1C[C@@H]1CCC=CCCC1	2045313411	YKNGYEUFLORAAC-SJORKVTESA-N	249.442	4.633	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)[C@@H]1CCCC(C)(C)C1	2045402614	ZWAYITJWQGGKOS-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@H](NCC)C2CC3(CCC3)C2)CCC1	2045798434	AZQWHNOGYAQMBP-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1NC1CC2(CCCCCC2)C1	2046232572	ZZKZRHKOJBMBHG-GOEBONIOSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(N)(C[C@@H]2CC23CCCCC3)CC1	2047005966	XDMVYCIKSUCSQT-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1([C@H](N)C[C@@H]2CC23CCCCC3)CCC1	2047014698	DAXCJJYSHIUQBN-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
c1ccc(NC[C@@H]2C[C@@H]3CCCCCC[C@@H]32)cc1	2047410418	RWVAAPWYCBYKMQ-ZOBUZTSGSA-N	243.394	4.705	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048466516	YPGHIRMOJMSKDV-FVQHAEBGSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C[C@H]2C=CCCC2)C1	2049541869	ZJIBWLNRTORUAE-YQQAZPJKSA-N	249.442	4.667	0	10	BJAE	
NC1([C@@H]2[C@H]3CCCCC[C@H]32)CCCCCCCC1	2049669311	IVIFKDLWUXLRQI-ZSHCYNCHSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC(C)(C)C1)[C@@]1(C)C=CCC1	2049993139	UIMBNZBVULZCDR-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1=CCCCC1)c1ccccc1F	2050495477	URWTVRGJRMSDSO-UHFFFAOYSA-N	246.325	4.679	0	10	BJAE	
CCN[C@@H](CCC1CCC(C)CC1)c1ccco1	2050524144	BBNONWQDDMSNIM-NRXISQOPSA-N	249.398	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(CN)CCCCC23CC3)C1	2053411158	NUQLHMCPUJOEKX-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](C1CC=CC1)[C@@H]1CCC[C@H](CC)CC1	2053667941	RYKLXAJOHKVESO-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@@H](NC2CC3(CCCCC3)C2)CCC1	2055550198	RKFMYCNDDDFTMA-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCCC3(CCCCC3)C2)CC1	2055844701	IVIYVMGFVLWWCV-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1CN[C@H]1C=CCCCCC1	2056486279	ZOYWYGSNIRZOPH-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](N)[C@@H](C[C@H]2C=CCCCC2)CC1	2059004267	VXSVZOSHPQQPJJ-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H](C(=O)CCC1(C)CC1)c1ccccc1	2059242632	DSLJGJQAORWFOB-MRXNPFEDSA-N	244.378	4.576	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@H]1CCCC1(C)C	2060923582	YXMKFGFRGXRQBU-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@@H]2CCCC(C)(C)C2)CC1	2061085158	PBMPOZSCJTZZSC-FVQBIDKESA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@](N)(C2=CC[C@H](C(C)(C)C)CC2)C1	2061113401	OJTSJDPRYYEXIV-JKIFEVAISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@H](N)CC2CCCCCC2)CC1	2061141864	YQEFVAHGURNXIA-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2061561080	NUEJQCZBKWWRNO-LTIDMASMSA-N	249.442	4.548	0	10	BJAE	
CC[C@H](CC(=O)CC1CC(=C2CC2)C1)C(C)(C)C	2061699955	RVQIKPONHQAWRA-OAHLLOKOSA-N	248.410	4.908	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC1CC(=C2CCC2)C1	2061701887	NWZCNLDFKDHYOV-IAGOWNOFSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1C[C@@H]1CCC[C@H]1C[C@@H](C)Nc2ccccc21	2062644135	YYXGBPNELIQYGP-XGUBFFRZSA-N	243.394	4.801	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)C12CCCC1CCC2	2063820657	BBTPGQHYRUVAQM-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NCCC12CCC(CC1)CC2	2065259072	LBJXSFLEVONIEN-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H](CC23CCC(CC2)CC3)C[C@@H](N)C1	2065339964	QSEYSACYFKTVRR-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CCCC1(C=C2CCc3cc(N)ccc32)CCC1	2069343238	XOXZMXNGZHCMCA-UHFFFAOYSA-N	241.378	4.569	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1ccc2ccccc2c1	2071471614	NDGFPNACCVBRAI-BBRMVZONSA-N	239.362	4.688	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2071511991	RQCWEFNSADPRQO-DMRZNYOFSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)C1(CC(=O)CC2C[C@H]3C[C@@H]3C2)CCC1	2071922786	VXRLRICPRBLOEI-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(NCC2(C(C)(C)C)CCC2)c(C)c1	2071951317	TUVNHRFECXVWED-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)C[C@H]2CC[C@H](C)CC2)C1	2072792852	DVXWUZOZOXFAMU-XPYWIHLFSA-N	249.442	4.523	0	10	BJAE	
CCC1CCC(CC(=O)C[C@@H]2CC[C@H]3C[C@H]23)CC1	2072875331	MPRULLOFPJNSNS-XRLSCXDPSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CCC=C2CC)CC1	2072877513	HCTIFBCWJUCTMC-VMBOVVBDSA-N	249.442	4.811	0	10	BJAE	
CCCCC[C@@](N)(CC)c1ccc(CCC)cc1	2073340320	LQCCRJZNIJYOGS-KRWDZBQOSA-N	247.426	4.783	0	10	BJAE	
CCN(c1cccc(C)c1)[C@@H]1C=CCCCCC1	2074795414	VUOQPPSYBZAFAO-MRXNPFEDSA-N	243.394	4.710	0	10	BJAE	
CCN(CCC1=CCCCC1)c1ccc(C)cc1	2075146247	BTZIZNYWNQPQGW-UHFFFAOYSA-N	243.394	4.712	0	10	BJAE	
O[C@@]1(CCC2=CCCCC2)CCCC[C@@H]1C1CC1	2075711536	ZDNUNGGNVMISDU-IAGOWNOFSA-N	248.410	4.598	0	10	BJAE	
Cc1c(F)cccc1C(=O)[C@H](C)C1CCCCC1	2077837283	PSMXNCSBTDMIMN-LLVKDONJSA-N	248.341	4.533	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@H]1C1CCC1)CC1CCCCC1	2079313844	YWACDDSOYXPHFT-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCC1CC1)[C@H]1C[C@@H]1C1CCCCCC1	2079432323	RRSGMFRUOMWMHR-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1c(CC)cccc1CC	2079627789	VZDYFVXKWPLPSJ-HZPDHXFCSA-N	245.410	4.660	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC[C@H](NCC)c1ccccc1	2079662335	UUNKCZISFDTCFS-ZACQAIPSSA-N	245.410	4.554	0	10	BJAE	
NCC1(C[C@H]2C[C@H]2C2CCCCCC2)CCCC1	2079662996	YPOVDFZMQGLGSO-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
C/C=C/CCC[C@@H](N)[C@H]1C[C@H]1C1CCCCCC1	2079792443	ALEACHQSXAAHTB-PZOIYYNUSA-N	249.442	4.667	0	10	BJAE	
CC(C)CN(CC(F)=C1CCC1)c1ccccc1	2081804831	QWAIBEBCFOUOGD-UHFFFAOYSA-N	247.357	4.557	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)c1cc(C)cc(C)c1C	2082918992	MHMPRJVFLIZBPU-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CCC[C@@H]1CNCCC1=C[C@H]1CCCC(C)(C)C1	2082979568	OOGWKAHELJVHRX-GDBMZVCRSA-N	249.442	4.539	0	10	BJAE	
Cc1cscc1-c1ccc2cc(O)ccc2c1	2087917040	YCQBRFXRKJXNMA-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
C[C@H](C[C@@H](O)CCCCC1CC1)CC(C)(C)C	2214583969	PYDRUJFRNQRTAH-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@@H]1CC[C@@H]1C	2214920538	UCZMTCDEPDZASX-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CC[C@@H]2C)CCCC1	2215062619	MHTNSRIPBALBQD-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)C[C@H](C)C(C)(C)C	2217150659	NRJUHUGWHSCQBC-OFQRWUPVSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218342241	ZSWLZQDPSRGCRG-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](NC2CCC(C3CC3)CC2)C1	2218896884	NPOPAAQNZYKWQD-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
C(=C/c1ccccc1)\C[C@@H]1C[C@@H]1c1ccccc1	2219076170	MJWRBWFRGPUEES-CVRCPQJVSA-N	234.342	4.894	0	10	BJAE	
CCCC(C)(C)[C@@H](CC=Cc1ccccc1)NC	2219087422	XQYMBSHEKJLWKP-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
N[C@H](CCC12CCC(CC1)CC2)C1CCCCC1	2220304199	ZLXFGSFVNZPRJJ-ARWYELJZSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)CC1(C)CC2(CCC2)C1	2221029398	ZPTMGUOBLZRYIP-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCCCN1CC1(C)CC2(CCC2)C1	2221067514	JHZLADDHTPOFLX-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCC1(C(=O)CC2(C)CC3(CCC3)C2)CCCC1	2221089304	ZKKUOFMTRCWNGQ-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H]([C@H]1CCC1(C)C)[C@@]1(C)CC=C(C)CC1	2221630294	IEPXVPQXQQHUCN-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1([C@H]2CCC[C@H]2C)CC=C(C)CC1	2221665144	FACKTNVLNLQJPD-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C(CCCNCC[C@@H]1CC12CC2)CCCC1CC1	2223116713	IJSBXWSXGGYCIQ-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](NCCCCCCCC1CC1)c1ccco1	2223153348	ABMFTTHIGLIKCT-CQSZACIVSA-N	249.398	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1cccc2ccoc12	2224198959	XYRHDZHOMIYFQE-OAHLLOKOSA-N	244.334	4.603	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCC(C)=C(C)C)NC	2244767278	GUZIWNVKHBBLDK-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CC(C)CC(C)(C)NCC[C@H]1CCC[C@H](C)C1	2246697047	ZZFQBUSSZCMSIL-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
Cc1cscc1C(=O)CC1CC2(CCCC2)C1	2246817849	ZCVBBLGLFXLZLG-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCCC1CCC(O)(C[C@@H]2CCC2(C)C)CC1	2247346544	KBTYPKSOKSGIOW-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)CCC1(C)CC1	2248850421	DZPCLXFTIOYBQK-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1(C)CCCCC1)NC	2250352303	KXXUULTYWUPRHE-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2251163774	SEZCYNZEVPGJGY-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1[C@H](CCC(C)(C)C)CCC1(C)C	2251713096	QNHYQONHGCCLEG-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@H]1CC=CCC1)C[C@H]1CCCCC12CC2	2253780687	IEXLCQNSRNRJRV-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
CCC1(C)CC(NCC[C@@H]2CCCCC23CC3)C1	2253891773	RJUSYGVZAYFTIA-FHERZECASA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(N)CC1CC2(CCCC2)C1	2254115796	QEXAJRBCJJMIML-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC)c1cccc(CCC=C(C)C)c1	2254241721	QGOSIOHNUKWULS-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC[C@](O)(CCCC[C@H]1C[C@@H]1C)c1ccccc1	2254540640	ZUNYRQWBMYOFLC-ZOBUZTSGSA-N	246.394	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@H]2CCC23CCC3)C1	2254971698	CICWXOFLWSVXHU-NWANDNLSSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)c1ccc(OC[C@H]2CCC2(C)C)cc1	2255014021	AWMXWNGEEVUXBA-CQSZACIVSA-N	246.394	4.799	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@@H]2CCCC23CC3)C1	2255266626	AVIBGMGXUMKSFW-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@@](N)(CC[C@@H]2CCCC23CC3)C1(C)C	2255327517	HKHCMGPUSGETTC-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)C[C@@H]2CCCC[C@H]21	2257313140	UUXRXJYWQSQPER-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H]2[C@H]3CCC[C@@H]2C[C@H](N)C3)CCCCC1	2258032112	HHTXZSRQKPKZHY-PLAPLOCASA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CCC=Cc1ccccc1	2259446981	JEGDHTZIQHCBGK-IAGOWNOFSA-N	245.410	4.634	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@@]12CCC[C@@H]1CC2	2260501260	OUAGCPGTBBLGCQ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(NC[C@@]23CCC[C@@H]2CC3)cc1C	2260592471	QNDWVRHVVZUPNI-WBVHZDCISA-N	243.394	4.550	0	10	BJAE	
NC1(C[C@]23CCCC[C@@H]2CC3)CCCCCCC1	2260673233	QXVDWTHDADQTKA-HZPDHXFCSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H]1C[C@@H]1C(=O)c1cccc(C2CCCC2)c1	2260727405	OPULQQSHJSUTOJ-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](Nc2cccc(F)c2)C1	2261386966	UUMORXLQVIICDR-CQSZACIVSA-N	249.373	4.843	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)CC1CCCCCC1	2298878142	IWZGEEFRLQDASH-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCCC(F)(F)C1	2300676444	ORVQDGCPPVOAKF-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCC(CC)CC[C@@H]1CC[C@H](C)CC[C@@H]1NC	2300686165	NJHOKCAXWUOFOL-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CCNCC1(CC=C(C)CCCC(C)C)CC1	2300865625	PPWURZDTHWWJRF-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1C[C@@H]1C1CCCCC1	2300921236	NUGYTJMZTBLZHC-CABCVRRESA-N	234.383	4.518	0	10	BJAE	
CC[C@@](C)(CNC(C)C)CC1CCCCCC1	2301245271	UZHYHDDHRUWZOF-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N[C@H](C)CC1=CCCCC1	2301843895	MNWHZNARCJYJEY-QLFBSQMISA-N	237.431	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H](C)[C@H](C)C(C)C)C1	2301844300	PGLNBWLLTCXTTP-TUVASFSCSA-N	238.415	4.700	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@@H](C)[C@@H](C)C(C)C	2301868346	YPXCMMRINGNLKT-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@H](C)NCCCC1=CCCCC1	2302317118	DDMPWLJHRRGIBA-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCC1([C@H](O)C[C@@H]2CCC(C)(C)C2)CCC1	2302714571	ZJAKWZPBULPCDL-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC(C)(C)C1)C1CCC1	2302900217	CNGXFVPDSLHJBB-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](C)(O)CC[C@@H]1CC[C@@H]1C1CC1	2303184268	XUUIWLMGAAXITC-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1C(=O)CCCCC1CC1	2303443006	QJMMIXKWPWCIIP-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)C1CCCCC1	2303464660	HEGBNCUYVSZHRF-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@]1(CC(C)C)CCC(C)=C(C)C1	2303479614	BGLQOVAQWSABSH-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1CC[C@@H]1C(C)(C)C	2303506903	APOMKGOBFBGKKS-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)[C@@H](C)C(C)(C)C)CC1	2303526524	SIPNGTHEWHATTO-QLFBSQMISA-N	237.431	4.523	0	10	BJAE	
CC1=C(C)C[C@H](C[C@](C)(O)[C@H](C)C(C)C)CC1	2303530360	CDOKTLHOVNYNLD-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CC(C(=O)CC[C@H]2CCC(C)(C)C2)C1	2304434433	DIGIQEJJCUAEOD-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@]1(C[C@H](CC)CCC)C=CCC1	2307845135	SRVIGLBLNQGKSC-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(CN)C1CCCCC1	2307846950	YGBDNBQELDYKNQ-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C[C@@H]1C[C@H]1CC)NCC	2307896641	WIOCCCVGQLSZCT-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(CC)CNCC(C)C	2307896653	WKWRZRKDMMAGKB-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C)[C@@H](N)c1ccccc1	2307900465	GDDILXXRVQNAIX-IJEWVQPXSA-N	233.399	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@@H](C)C1CCCC1	2307908549	HMSYBFSMFCITLE-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@H]1C)c1ccccc1	2308257569	VUVSXEMDPRRPTM-PVAVHDDUSA-N	245.410	4.554	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCC[C@@H]3CC[C@H]23)CC1	2309517790	KWXHOCAAEABIRP-NZZOYKRFSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)c2c3c([nH]c12)CC[C@H](C)C3	2316176323	PVQVSUSHSABNTA-NSHDSACASA-N	241.378	4.725	0	10	BJAE	
O=C(CC1=CCCCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316752412	NZXDUXHKWHGCMY-JYJNAYRXSA-N	246.394	4.662	0	10	BJAE	
C1CCCC(C[C@@H]2CC[C@@H]3CCCN[C@H]3C2)CC1	2317002999	SJISBWSUQCRFGJ-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)[C@@H]2CCCC3(CC3)C2)C1	2319110126	HUOZFHWZIMFMSY-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(C(=O)C[C@H]1CCC(C)(C)C1)C2	2319285916	DLNUDJSXMBVKNT-OFNHWJQESA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CC[C@H]2C(C)(C)C)c(C)c1	2320140542	BDLDLYKVALWOFN-HUUCEWRRSA-N	244.378	4.558	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2C[C@H](N)CC(C)(C)C2)CC1	2320333398	GJUKMRQOHUUEBW-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CC[C@H](O)c2ccccc2)CC1	2320400977	DRTIEFSISNDGKY-WBVHZDCISA-N	244.378	4.637	0	10	BJAE	
CCC[C@H](C)N(C)Cc1cccc(C2CCC2)c1	2320672911	QBESGCGKDPMAEY-AWEZNQCLSA-N	245.410	4.575	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2Cc3ccccc3N2)C1	2321607937	KDXLHLOHUVNVGU-ZFWWWQNUSA-N	243.394	4.630	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)C=CCC(C)(C)C2)C1	2321610001	BRVXXWFMWRQGEI-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)c1cccc(C)c1C	2328283263	VYVYMMVKWRNUFZ-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
Clc1ccc2oc3c(Cl)cccc3c2c1	5845576	XVLCNKFGFHUQNL-UHFFFAOYSA-N	237.085	4.893	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(F)cc1F	20520089	JUVFZFYPXXPHGV-LLVKDONJSA-N	241.325	4.736	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCc2occc21	20520406	KSDLZJXCQUFECI-ZFWWWQNUSA-N	249.398	4.606	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCCCC(=O)C1	70740371	SPUFDHJDSNTGFL-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@H]1CCC[C@@H](CC)C1	71157004	IWIMIGUGLOQQOC-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(O[C@@H]2CC[C@@H](C)[C@H](C)C2)c(C)c1	85155040	DYHRJOIXEKQOKO-UMVBOHGHSA-N	232.367	4.507	0	10	BJAE	
CSc1ccc(N[C@@H]2CCC[C@@H](C)CC2)cc1	86878437	DUOGXCCKEHMTSQ-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCC(F)(F)F	86979534	BACDQSWGXACEJD-JTQLQIEISA-N	238.293	4.505	0	10	BJAE	
CC[C@H](C)c1ccc(CCCCCCNC)cc1	87740820	WSGZNLKYQMULGU-HNNXBMFYSA-N	247.426	4.522	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@H]1CCC[C@@H](C)C1	88764936	DKEZKPRVVDIYRV-MFKMUULPSA-N	238.758	4.606	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCCC1(C)C	94303025	UBFNHBXWUPDVJH-HNNXBMFYSA-N	231.383	4.801	0	10	BJAE	
Cc1ccc(C)c([C@H](O)C[C@@H](C)CC(C)(C)C)c1	109786043	SSVROXUGSZJQFU-CZUORRHYSA-N	248.410	4.799	0	10	BJAE	
CCC1CCC([C@H](C)C(=O)c2ccccc2)CC1	128205523	ZXUJPPIRACJESO-NFOMZHRRSA-N	244.378	4.722	0	10	BJAE	
CCCc1cccc([C@@H](NCC)[C@H](C)C(C)C)c1	131700855	WHYRXENVLDAODN-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](CCC)CC[C@@H]1CN	150150503	LJPWPTZFFFEXIL-BZUAXINKSA-N	239.447	4.748	0	10	BJAE	
N[C@@H](C[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCCCCCC1	159003943	LLFPQGGXRLORPU-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccc2sccc2c1	163860175	YESNBODTKPHXHK-SMDDNHRTSA-N	245.391	4.892	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C1CCCCC1	167056582	GNAKYGATFSWGNX-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CNCC(C)C)C1CCCCC1	168044637	CCONDABKXGOQPZ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC)CC[C@H]1CC[C@@H](C)[C@@H](C)C1	221314935	DMAMDLOEJLRFLJ-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CC[C@@H](C)C[C@@H]1C	226163009	OWHGOQLAMBCCCD-QXSJWSMHSA-N	239.447	4.760	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](NCCC2=CCCC2)CC1	228573850	IJMXHSOKOBQYHE-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCC(C)C)CC1CCCCCC1	229171880	QWSJHQXDZGJVQG-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1CNc2c(Cl)cccc21	233274718	FXYHOMKAPZUSOM-GHMZBOCLSA-N	237.774	4.675	0	10	BJAE	
CCC[C@@H](C)Oc1cc(C(C)C)ccc1C	233279871	UXJMBBSVROGYIQ-CYBMUJFWSA-N	220.356	4.686	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)C1=CCCCCCC1	233350717	BGYAWGCKZMNEPE-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1C[C@@H](c2cccc3c2NCCC3)CC[C@H]1C	235378731	UVXFNWLPSRPJLZ-IPYPFGDCSA-N	243.394	4.584	0	10	BJAE	
CC/C=C/C[C@H](C)c1ccc(Cl)s1	238222325	QESGQQBSXAQEPO-MOVJSRMASA-N	214.761	4.861	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CCC[C@H]2C)CC1	251267296	CMXHKRUEXITLNJ-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CNc1cccc(-c2ccc3cc(C)ccc3c2)c1	259298509	QGVDANAKYFCDNV-UHFFFAOYSA-N	247.341	4.857	0	10	BJAE	
CCCNCCCCC1CCCCCCC1	300860065	NKTUNOBORGVKJQ-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
CCCN[C@@H]([C@@H](CCC)CC(C)C)C(C)(C)C	308052548	NDZFUNXEKRUBOI-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCNC[C@H](CCC1CCCCC1)CC(C)C	310061510	SFFXQYGKTIOPHJ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@H]2CCC[C@@H](C)C2)C1	310111758	FTJXOTBWGCZJKV-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@@H](N)CC1=CCCCC1)C1CCCCC1	311209038	KMBZSJCFWVYHEV-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(CNC3CC3)CCCC2)C1	317550928	JDTZHKPQJNLHTG-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@](CNC2CC2)(C2CCCCCC2)C1	318219424	VBCJZWZHNPDWRU-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)Oc1cc(Cl)ccc1Cl	319606341	MSZYNSCZXUEHSR-IUCAKERBSA-N	247.165	4.807	0	10	BJAE	
CCC[C@@H](Nc1c(C)cccc1F)C1CCC1	322837750	KLKOTRGKDHMLKW-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
CC(C)CC[C@](C)(O)CC1CCC(C)(C)CC1	380154581	JJCHQQSQHBQVEJ-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CCC[C@H](C(C)C)C1	382681212	RMMQETAOIJSYGW-JYJNAYRXSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CCCCCC(C)C)[C@@H]1C[C@@H]1C	383303547	UIVCKSNQJARCRQ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C/C(=C\CCNC1CC1)CCCCCC(C)C	383393656	PNQYCHUFMGCWDQ-XNTDXEJSSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1cccc(NCC2(C)CCCC2)c1	393844531	BUXLLKFCDFDYCL-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCC(/C=C(/CNC(C)C)C(C)C)(CC)CC	395132767	SHFXFCJGCQJFIX-PTNGSMBKSA-N	239.447	4.783	0	10	BJAE	
CCc1c(C)c(C(F)(F)F)cc2sccc12	396297915	FWCWHMSDGGYEEB-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC(C)[C@]1(C)C[C@@H]1N[C@H]1CCCC12CCCCC2	397391549	QRGCPXPRLKFTPW-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1Nc1ccc2c(c1)CCC2	691131433	AHRRVRNEIRWECH-GUYCJALGSA-N	243.394	4.556	0	10	BJAE	
Cc1cc(O)ccc1-c1ccc2sccc2c1	691792684	CXSTYYUUZNGFKG-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
C1=CCC(CC[C@H]2CCCc3ccccc32)C1	692119040	GXAMHIYZNAELDX-MRXNPFEDSA-N	226.363	4.853	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@]23CCCC[C@H]2C3)cc1	693275433	UNQXYSTUSLLMMK-DOTOQJQBSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)CCC[C@@]1(N)CCCC[C@H]1C1CC1	704463212	NBEQWBVDZHYRCA-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@H](C)CC(C)(C)C	704732492	DWZFKSJIBLGFDY-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC[C@H](N)c1cccc2ccccc12	704838306	DLPIWIKHDSIJQV-KRWDZBQOSA-N	239.362	4.586	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](CCC=C(C)C)NC	704863720	HLTPPDWLGYTWCB-IRXDYDNUSA-N	245.410	4.515	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)CCC23CCCC3)CC1	705026745	LEJPSYDHLFBOHJ-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@]2(N)CCC23CCCCC3)C[C@H]1C	705264957	ILEFZGPQVZAWSP-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CC[C@H]2CCC[C@H]21	707752569	AVLHILYIDATLCV-DJIMGWMZSA-N	241.378	4.555	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@H](C)CC(C)(C)C	708286791	LVXDCPLXJFADFH-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@H](C)CC(C)C	709147432	YRVJHSXUZVOQAZ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C12CCC(CC1)CC2	710323785	NLVGLLPZQVWAJR-GWUWNPHMSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](C[C@H](C)C(C)(C)C)C1	710773042	MQHQFFHXBPUGMV-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H](CC)C(C)(C)C	711106831	RNFWTMHOBYGMLO-KGLIPLIRSA-N	227.436	4.747	0	10	BJAE	
CCN[C@H](C[C@H](CC)C(C)(C)C)[C@H](C)C(C)C	711162210	KXGJVDCIMVAJRG-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CCCNC[C@H](C[C@@H](C)C(C)(C)C)C(C)(C)C	711172512	KPFWERGYQOKOCV-KGLIPLIRSA-N	241.463	4.721	0	10	BJAE	
CC(C)(C)CC1(CN)CC(C)(C)CC(C)(C)C1	713212899	PUDMEJLNFYEWIS-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC(C)(C)C(C)C)NCC	713216513	LMBSZWZYNKUTBC-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C/CC[C@@H](NCC)c1ccc(Cl)cc1	713702517	AUELBAVSODOFQC-LLYBFZRZSA-N	249.785	4.513	0	10	BJAE	
CC/C=C/C[C@H](C)c1ccccc1Cl	714544073	WUWRILIFFPTSRM-ZWNMCFTASA-N	208.732	4.800	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC[C@H]1C[C@@H]1C1CC1	714897649	TWSXSIXEJKLDLM-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@]1(C)CNc1ccc2sccc2c1	717143200	IHPYPZLZQZMKTA-HNNXBMFYSA-N	245.391	4.749	0	10	BJAE	
CC(C)=C(C)CCC(=O)CCc1ccccc1C	718739780	ONZHBJMGYARXKI-UHFFFAOYSA-N	244.378	4.633	0	10	BJAE	
Cc1csc(C)c1C(=O)C(C)(C)C(C)(C)C	724945738	MNSWARNYKRTVAT-UHFFFAOYSA-N	238.396	4.620	0	10	BJAE	
CCC[C@@H](C)SCc1ccccc1C1CC1	1307329533	DQZZXKKKNADXBD-GFCCVEGCSA-N	234.408	4.986	0	10	BJAE	
C1CCC(CSCCC2CCCC2)CC1	1458932237	LZPKALGIRFPXSC-UHFFFAOYSA-N	226.429	4.880	0	10	BJAE	
C=Cc1cc2c(s1)CC[C@H](C(C)(C)C)C2	1535774523	KMOLEMWOAVHNGC-NSHDSACASA-N	220.381	4.542	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CCCCC2)C1CCC1	1875413578	CBKIIZBPUWABRH-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](N)[C@H](C)CC=C(C)CCCC(C)C	1900868090	DYMQQTIORSXQAD-HUUCEWRRSA-N	225.420	4.523	0	10	BJAE	
CSc1ccccc1N[C@H](C)[C@@H](C)C(C)C	1901709617	OVMAGAHGLVMMPP-NWDGAFQWSA-N	237.412	4.501	0	10	BJAE	
Cc1cc(-c2cccc3ccccc23)cs1	1901894722	IUXCIKICNCOZGG-UHFFFAOYSA-N	224.328	4.877	0	10	BJAE	
CC(C)(C)CC(=O)CCCC1=CCCCC1	1901965016	RNNBYGZLEXPKCR-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1CCC(C)(C)C1	1902294367	QSOWZOCWGOAESJ-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC=CCC1(CNCC(C)C)CCCCCC1	1911867107	JAQXTTMQUQNHMI-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
C=CC=CCC[C@]1(CNC(C)C)CCCC[C@H]1C	1911904118	KVJNKAPYQHXAIZ-IAGOWNOFSA-N	249.442	4.703	0	10	BJAE	
CC=CC[C@@H](CC)c1cc(Cl)ccc1OC	1912116095	PTWMFEFKGLYBSY-LLVKDONJSA-N	238.758	4.808	0	10	BJAE	
CCC1(CNC(C)(C)C)CC2(CCCCC2)C1	1912560256	RTCGJDMDDNKBIA-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(F)(F)CC[C@H]1CCCCCCCCC1=O	1913385809	DYYRWUDYBCAIAB-GFCCVEGCSA-N	246.341	4.742	0	10	BJAE	
CN[C@@H](CCCC1CCC1)[C@H]1CCCC12CCC2	1921640970	OQFYRYUYHANQQI-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCNCC1(C[C@@H]2C=CCCCC2)CCCC1	1925797127	BXPYJLDPSYULLL-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCCCCCNCCC1(C)CCCCC1	1937891393	DMNBVPGWQIQONG-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
CCCC[C@@H](CC[C@H](C)C(C)(C)C)NCC	1939109769	BUFPPOFVYGASBL-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@]1(CN)CCC[C@@H](C)CC1	1939903585	OLISBOOKIDLTHR-CABCVRRESA-N	225.420	4.502	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@H](C)C(C(C)C)C(C)C	1940253753	RBKADVPJGPBGPB-ZBFHGGJFSA-N	241.463	4.575	0	10	BJAE	
CC1(C)CC[C@H](CC2(C)CCCCC2)[C@H](O)C1	1940412863	JCPQEKZDNDPEOW-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](O)CC[C@H]1CCCC1(F)F	1940706108	NKCNJCBSYLVDFH-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)CCC1(C)CC1	1940789836	GVGRHMDIMAYGPB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CC1(F)CCC(C)(N)CC1	1940838194	CFWVBFMHRQNRQA-NFOMZHRRSA-N	243.410	4.593	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1ccc2sccc2c1	1941248188	LSWAHMYHWSADIB-UKRRQHHQSA-N	248.391	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@]1(N)CCC1CCC1	1941474725	ZOEMYOUOMRBNAG-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC1(C(=O)c2sccc2C2CC2)CCCCC1	1942499641	NSUNZZHTPBFTSE-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@H]2CCCCC(=O)C2)C1	1944197492	BGDNCZWLBRGTRX-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)Nc1cccc(C2(C)CC2)c1	1944600003	KTBLXQZXZWPTMD-AWEZNQCLSA-N	231.383	4.729	0	10	BJAE	
CC(C)(NCCC1CCCCC1)C1CCCC1	1945382132	LZIMRYMVAIWADQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](CCC(F)(F)CC)NCC	1947994319	WMLSRRMRKTWQGL-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
CCCC[C@@H](CC1=CCCCCC1)NCCC	1948428065	DLAGEYRSGLKBCV-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H](CC)CC(F)F	1949018736	JJQOJVOWWTWXKC-GXTWGEPZSA-N	249.389	4.746	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC1(N)CCCCCCCCC1	1949022196	FKRUJYDIFKIVGD-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)CCCC1(C)CC1	1949052167	BBNKRXXCQNOHEE-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@](C)(N)CC1CCCC1	1949055048	QFXORDHCYHBBLE-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](N)c1cccc2sccc12	1949067497	DIRLFDGRXMSLKN-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
CCCC(N)(CCC)[C@H]1CCC2(CCCC2)C1	1949402118	ILBMBPALWVSXOT-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CC(F)(F)CCCC[C@@H](O)CC1CCCCC1	1949915257	ZDBHQRZZFSFFKD-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCCC)[C@@H]1C[C@H]1C	1950750259	FMABYILNUVOYGH-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)[C@H]1CCC[C@H](C)CC1	1950910537	HLPBKVMZLINWKA-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@H]1CCC[C@H](C)CC1	1950910607	ICAQDYRAOWOPQG-BPUTZDHNSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](O)CCCC2CC2)CC1	1950914369	PETJXYUCACHUGZ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CN)CCC[C@H](C)CC1	1950924915	OSXAHLWGWIIPCV-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
CCC1(CC)CCC(=CBr)CC1	1953689822	ITEMSEKAVSDTPT-UHFFFAOYSA-N	231.177	4.646	0	10	BJAE	
Cc1ccc(F)cc1NC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1968313265	ZNCQACSHPHZXHV-IMRBUKKESA-N	249.373	4.618	0	10	BJAE	
CC(C)c1cccc(NC2C[C@@H]3[C@@H](C2)C3(C)C)c1	1968408034	LXNCAJFOMAOKHD-HZPDHXFCSA-N	243.394	4.657	0	10	BJAE	
C[C@H]1C[C@@H]1c1csc(-c2ccccc2Cl)n1	1968646310	XAZCSSWWJFHATE-WPRPVWTQSA-N	249.766	4.587	0	10	BJAE	
CCCN(CC(C)C)CC1CCC(CC)CC1	1968780274	ZCPSFXPIPDNHGD-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC1(CN[C@H]2CCCC3(CCCCC3)C2)CC1	1969492145	POHOAHPCYBPLII-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC1(c2ccc(N[C@H]3CCCC3(C)C)cc2)CC1	1973403390	IREQOWIMGQJILC-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
CCC(CC)(CC)C(=O)C1CCCCCC1	1978451434	IUXZQAYOTAYBND-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](NCCC)C1(CCC)CCC1	1978587586	UBDDQKQPKSPIPY-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@@H]1CCC[C@@H](C)C1	1980277650	UFOQJBJYETZFPV-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CC[C@H](CC)CC1	1984592549	DPAGASMDBNZDJN-HDJSIYSDSA-N	222.372	4.518	0	10	BJAE	
C1CC(=C2CC(CC3[C@@H]4CCCC[C@@H]34)C2)C1	1985535033	PZAVAAPMHGCRMY-HUUCEWRRSA-N	216.368	4.703	0	10	BJAE	
Cc1c(CC2CC=CC2)sc2ccccc12	1987578064	GALOJYFMLNZBPW-UHFFFAOYSA-N	228.360	4.718	0	10	BJAE	
C[C@H]1CC[C@H](CCC(=O)c2cccs2)CC1	1989838543	HQZMWARIPLWOSR-HAQNSBGRSA-N	236.380	4.537	0	10	BJAE	
CCCCC[C@@](N)(C=C1CCCCC1)CC	1990097561	CUUYFOWVODXYLZ-OAHLLOKOSA-N	223.404	4.565	0	10	BJAE	
CC(C)C(c1nc(C2(C)CC2)cs1)C(C)C	1990197077	WLEDQDBQVBXKEZ-UHFFFAOYSA-N	237.412	4.590	0	10	BJAE	
CCCCCCN(C)C[C@@H](C)CC(C)(C)C	1991244198	COWZCTZFYRWCGF-AWEZNQCLSA-N	227.436	4.571	0	10	BJAE	
CC=C[C@H](CC[C@@H](C)CCCC)NCCC	1995215615	XFHQECNWSZKDER-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CC1(CCC[C@@](C)(O)C2(C)CCCCC2)CC1	1995986867	QKJFXWQQDHPQSY-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)C1CCC(C)(C)CC1	1996555438	VXHLAANQVRNKQQ-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
CCCC(C)(C)[C@H](CC1(C)CCCCC1)NC	1996612025	VQHZRBSVFAGSTM-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CCC2CCC2)CC1	1997104902	KZKXJVGRRUKEAG-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1C[C@H]1CCCCCCCCC1=O	1998586153	GGKXTDHMVFSEOB-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](O)(C1CCCC1)[C@@H]1CCCC(C)(C)C1	2000040365	DBAZLENYMWWJOT-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CCC(C)=C(C)C)C1	2000168426	BMPZHVUOFURIBG-IUODEOHRSA-N	234.383	4.684	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H]1C=CCCCC1	2000484607	SOJXJGLAQPXZJG-HOTGVXAUSA-N	237.431	4.668	0	10	BJAE	
CCC[C@@H](NCC1(C)CC=CC1)c1cccs1	2001699629	PMUNKHLHNXPYEH-CYBMUJFWSA-N	249.423	4.535	0	10	BJAE	
CC(C)(CC[C@@H]1CCCCCC[C@H]1O)C1CC1	2003100471	RFTAWNAFAZGPCX-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC1(CC(=O)CCC[C@H]2CC2(C)C)CCCC1	2003179461	ONCHMNOJLDPRNN-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@@H]1CC=C(C)C	2004228800	XYFOQSPJFUGBLG-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC1([C@@H](O)C2CCCCC2)CCCCCCC1	2004919858	DPPOOYXQKBJRNG-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)CNCC1(C)CCC(C)(C)CC1	2007681075	FOPFEKUKQCDFOG-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CCC[C@H]2CC2(C)C)CC1	2009405464	ZFVVDUSHIRCPJJ-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](N)C1CCC(C(C)C)CC1	2009576894	LCYDULZOSPGBTB-XZJDITFYSA-N	237.431	4.523	0	10	BJAE	
CC=CCCCC[C@H](CC1CCCCC1)NC	2009620728	XQWVPGJZGNODOG-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC(C)(C)[C@H](NC)C1=CC[C@@H](CC)CC1	2010704851	AAHKNZZYWIDENH-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(NCC[C@]23CCC[C@H]2C3)c1Cl	2010995716	SGOWFJFWPHIIJO-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCCCCC12CC2	2011275217	QGQDYLGKBJURJT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H]1C[C@@H](NCC)CC(C)(C)C1	2012058288	JKDDZULSTNFVBT-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)c1ccccc1	2013263326	GTJPVXIOCHBXEU-GOEBONIOSA-N	233.399	4.552	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1CCCC[C@H]1CC	2013530461	JBTIJBXWFVTANG-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@@](N)(CCC(C(C)C)C(C)C)C1	2015346251	CIQCUQKAPOWHAF-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@@H]2CC(C)C)CCC1	2015600173	YLHLZEUTXKEAPH-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)[C@@H](C)CC(C)C)CC1	2017656207	VIBXODDXSAUSHD-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@H]1CC[C@H](C)CC1	2017731193	ORTDOOCDSABRMB-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2CC2(C)C)CC1	2017767148	MVGGCZIDTHNXBN-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(Cn2cc(C)cc2C)CC1	2017769577	GKFKPOJUALEFPW-UHFFFAOYSA-N	233.399	4.711	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H](C)CCC)CC1	2017776964	WUSQXIWCYGTRFP-WLYUNCDWSA-N	238.415	4.988	0	10	BJAE	
CC(C)C[C@H](C)N(C)C[C@@H]1CCCC(C)(C)C1	2019296897	DBURUIIPEKXJDO-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
C/C=C/CCCN(CC(C)C)C1CCCCC1	2020537462	NQCVUTWHBFDKGY-SNAWJCMRSA-N	237.431	4.633	0	10	BJAE	
CC(F)(F)CCCCNC1CCCCCCC1	2023297410	QAEZZYCGHNJRKK-UHFFFAOYSA-N	247.373	4.514	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C1=CCCCCCC1	2023333388	SVQLQYQBCKJGQY-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)CCCCC(C)(F)F	2023345779	KERBEERRJBGBQX-CHWSQXEVSA-N	249.389	4.602	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C1CC(C(C)C)C1	2026058688	FGSOHCTZGNOVII-WLYUNCDWSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)C[C@H]2CCC[C@H]1C2	2026290523	QBKGKNKBGRPWJM-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C(C)(C)C2CC2)cc1	2028099075	HQLZOBCHURREQM-LRDDRELGSA-N	246.394	4.670	0	10	BJAE	
CN[C@H](c1cccc(C)c1)[C@@H](CC(C)C)C(C)C	2028254559	IAUVPKPUDCSBSZ-DLBZAZTESA-N	247.426	4.574	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)[C@]12CCCC[C@@H]1CCC2	2031856084	VFVPGIPJPOMSNH-INMHGKMJSA-N	246.394	4.662	0	10	BJAE	
CC1(c2ccccc2NC[C@H]2CC=CCC2)CC1	2032242645	KRGCXSXIBKJDKI-AWEZNQCLSA-N	241.378	4.506	0	10	BJAE	
C[C@H](CN1CC=CCC12CCCC2)CC(C)(C)C	2032660115	OGULEWPZRVDRSQ-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CC1(CN[C@@H]2CCCC3(CCCC3)C2)CCCC1	2034362281	INIOFZQVRYDPHQ-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCC1(C[C@]2(N)CC[C@H]3CCCC[C@@H]3C2)CCC1	2037105571	NHDPAOURJROXDD-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1	2037676206	SZEHRKYVLMPGER-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCCC[C@@H]1CC1(C)C)c1ccccc1	2038134925	UERUSQNMUVWALP-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)c1ccccc1	2038138559	LLONDNDNCPDCIH-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CC1(C)C[C@H]1CCCC[C@](C)(O)c1ccccc1	2038171967	VUUGSHGASLTQME-WBVHZDCISA-N	246.394	4.501	0	10	BJAE	
Cc1ccc([C@H](O)[C@@H]2CCCC(C)(C)CC2)cc1	2039387151	VKAHCVBXFZGTSC-GDBMZVCRSA-N	246.394	4.635	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@@H]1C)[C@]1(C)CC=CCC1	2042022309	PRYKHRMRJPLVRK-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@@H](C)C1)[C@@]1(C)CC=CCC1	2042024911	QIFXQTIAQOGFHF-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(C[C@]2(N)C=CCCC2(C)C)C1	2043002334	NGMAGPNVVBFRHJ-MQBCKMQZSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC[C@H](NC2CCC3(CCCC3)CC2)C1	2045659545	DFFPRUPTFXRSCM-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC1(C)C[C@@H]1CC1(N)CCC2(CCCCC2)CC1	2045665612	IVXMMZPICGXONN-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@]1(C[C@H]2CC23CCCC3)CCCCCN1	2047020366	PCSQOBVKUJVDOC-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCCC1	2047340116	JHDJOFSUTHVURT-MJBXVCDLSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccccc1O[C@@H]1CC[C@@H]2C[C@H]2C1	2047346056	GZSGBFKNNYREGU-HZSPNIEDSA-N	244.378	4.552	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2[C@H]3CCCCC[C@H]32)CCCC1	2048447130	QTBXIANTRVCJLV-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2048465650	MRLJRSSYJFFPEO-ARLBYUKCSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1CC([C@@]2(N)CCCC3(CCC3)C2)C1	2048623133	DPIFDWGGMZWLNS-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CC([C@H]2C[C@H](C)c3ccccc3N2)C1	2048633972	MNDMBWJDKQFXBJ-VBRUCIBASA-N	243.394	4.657	0	10	BJAE	
O=C(CC[C@@H]1CCCC2(CC2)C1)c1ccccc1	2049947879	KJQLITWVKQEWEP-AWEZNQCLSA-N	242.362	4.620	0	10	BJAE	
CC(C)(C)C1CCC(N[C@@]2(C)C=CCCC2)CC1	2049971315	RMQZCWSMCVCAJI-DQPZFDDXSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1[C@H]2CCCCC[C@H]12	2051400971	MBVUKJLJSYIXGA-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@@]1(CCCC2CC2)CCCC12CC2	2053357488	IGWQSHIVEKKQSP-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(CN)CCCCC12CC2	2053419904	WFCQJGORGVWCIX-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@@H]1CCC[C@H](C)CC1	2053668127	SQPVKPWZUOJEOH-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C)(C(=O)CC2CC3(CC3)C2)CC1	2056538015	POLIEMWXEDACNH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC=C([C@@]2(O)CCC23CCCCC3)CC1	2061094078	CSQAQLSZISNUBK-YOEHRIQHSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](CC)CC1)[C@@H]1CC1(C)C	2061098874	LMNLOGYPYGADKC-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](N)(C1=CC[C@@H](CC)CC1)C1CCCC1	2061112548	HBRQSNBLNHQKRC-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CCC[C@@H](C)[C@H]2C)CC1	2061121477	GMOVBNTYOCGTGI-ANQUJSFKSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@H]1C[C@@H]1CC	2061139136	CQJNMTQMTUWOLH-NXNVCVFFSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc2c1ccn2CC[C@@]12CCC[C@H]1C2	2061604381	ZCWOCSHQOPJKGN-WMLDXEAASA-N	239.362	4.530	0	10	BJAE	
C[C@H]1C[C@@H]1CCC[C@H]1C[C@@H](C)c2ccccc2N1	2062642926	STHKAFCKYHYAMB-XGUBFFRZSA-N	243.394	4.801	0	10	BJAE	
CC1(C)C[C@H](C[C@@H]2CCC=CCCC2)C[C@@H](N)C1	2063642662	QNHANGIQQVRIEY-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](N[C@H](CC)C1CCCC1)c1occc1C	2063679847	CXFBUBYDMNPVRG-HUUCEWRRSA-N	249.398	4.598	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063717145	NXVZFSAESWFFMO-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCCCC1)CC12CCC(CC1)CC2	2065286479	RQHRBJWZUCTDOI-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
N[C@@H](CC1CCCCCC1)CC12CCC(CC1)C2	2065305471	LCKFMRKZWUMFML-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1NC1CCC2(CCCCCC2)CC1	2065893082	UOCYDRGFHFILJS-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CC23CCCCC3)CCC1	2069282501	KXRKLGJWWDTUES-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCCCC23CC3)CCC1	2069341359	DWOBJFWFIRBTID-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C1(CC2CC2)CCC1	2069515075	NJGLPGMNIDLFRV-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1([C@H](N)[C@@H]2CCC3(CCCC3)C2)CC1	2069515926	TYTRIYUIEOKRKV-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@]23CCC[C@@H]2C3)CC1	2070928377	ZEDRZLHFIVMTFJ-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNC2CC2)CCCC1(C)C	2072414499	GOYBXBZJFKBEOA-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1cc(C)ccc1C	2072417203	MSIFKNYIWQMQQU-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CN[C@@H](C[C@H]1CC[C@H](C)CC1)[C@@]1(C)C=CCCC1	2072796616	PZXRVLOOBNUDCJ-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2073341552	KUIGLGCXVLUJIE-VVLHAWIVSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC[C@@]3(C)CCC[C@@H]23)C1	2074890718	BSTNUNYKTQGENW-YYIAUSFCSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1Cc2ccccc2[C@@H]1C	2074895889	LNPTUJYAYQLXIW-VBQJREDUSA-N	243.394	4.532	0	10	BJAE	
CC1(c2ccccc2N[C@H]2C=CCCCC2)CC1	2075362559	KCZCFYLOVSQEHL-AWEZNQCLSA-N	241.378	4.649	0	10	BJAE	
CC(C)CN(C1CCC1)[C@@H]1CCC2(CCCC2)C1	2076744153	VTPFGVZPIVTOGM-MRXNPFEDSA-N	249.442	4.610	0	10	BJAE	
CCNC[C@]1(CC=C2CCC2)CCCCC1(C)C	2081683356	ICAVELRDOUAWAD-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCCCC1CC1	2084510832	LOVPNFDBYPUMHP-ACHSLPGTSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC12CC2)CC1(CCC)CC1	2086345644	GLRUPJAUEQGKEQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H](n2ccc(C)c2)CC1	2211149070	OWQSHHIXDMVDCY-GJZGRUSLSA-N	219.372	4.718	0	10	BJAE	
CC(C)(C)C1([C@@H](N)CCCCC2CC2)CCC1	2214569404	NHGYDHLORPIHFJ-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@@H](C)C(C)(C)C	2214574118	RXFWUOSGXIQKQN-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@H]2CC[C@H]2C)CC1	2214969759	HNEBLTSSNCDJEG-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CNC1CCC1)CC1(C)CCCCC1	2217133847	DVRWYLHYBCUKGG-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CCCC(C)C)C=CCC1	2217154799	XJAZIKFUBJAIQD-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@H](CCC(C)(C)C)C1CCC1	2217158094	YHYCWFODGICNRR-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)C2C[C@H]3CCC[C@H](C2)C3)C1	2218336232	BEBWGIZAMBPAIM-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](NC1CC(CC2CC2)C1)C1CCCC1	2218554949	LRRXGWJQZAYVIV-PREGVCBESA-N	249.442	4.514	0	10	BJAE	
C(CCCN1CCC[C@@H]2CCC[C@H]21)CCC1CC1	2218731885	MTDGKLRBTUQEOH-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
CC[C@@](C)(CCCC(C)C)Oc1cccc(N)c1	2218951066	SSCLTJJZXWFDLK-INIZCTEOSA-N	249.398	4.643	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC=Cc1ccccc1	2219086863	GDBBYYXGVXXKSD-AWEZNQCLSA-N	244.378	4.731	0	10	BJAE	
CN(CCCCC1CC1)[C@@H]1CCCCCC12CC2	2220020181	HXRMDXMBFGBLAZ-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CCCCC1CC1)CNC1CC1	2220045736	PILQQDJGPUFIQH-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@H]1CC)CC1=CCCCC1	2220881947	ZYXCYXSHYXKJJN-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CN[C@H]([C@@H]1CCCC[C@H]1C)[C@@]1(C)CC=C(C)CC1	2221615948	OGHNLQDPLYWEPR-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@]1(C)CC=C(C)CC1	2221633275	UEPMGFDOBMNGJS-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@H](NCC)c1ccc2occc2c1	2224140779	ZNLZEYFZKRBXJO-HNNXBMFYSA-N	245.366	4.664	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1csc(C(F)F)c1	2244783561	QXKYAEZEGYMKJK-LDYMZIIASA-N	248.338	4.545	0	10	BJAE	
CCCC[C@@H](C)NCC[C@H]1CCCCC12CC2	2246641827	HVUUGDMAVILYEZ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H](C)[C@H]1CC12CCC2	2248291348	KVCSNBYYXXYARH-VXGBXAGGSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@@]12CCC[C@@H]1CC2	2251165509	DDQOWAVTDWCVFD-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CCCCC[C@@H](CCC1CC(C)C1)NCCC	2251757161	KQWGZUJEMNZTEW-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccc2ccsc2c1	2253066280	XGLLINAUHDGCCG-ABAIWWIYSA-N	247.407	4.727	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCCCC23CC3)C1	2253921295	WGFSVZXFNJFUBV-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCNCC1(CC2CC3(CCCC3)C2)CCC1	2254054478	IUKOZHZQVGIOBV-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCc1cccc(NCC2CC3(CCCC3)C2)c1	2254083882	IZYLJICNUUCCSF-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
CCc1cc(NCCCC[C@@H]2C[C@@H]2C)ccc1F	2254543463	LMHRFKIWZJGMAU-GXTWGEPZSA-N	249.373	4.626	0	10	BJAE	
CCN(C[C@H]1CCC12CCC2)C1CCCCCC1	2254990968	WWHBYNMUJGNNIA-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC(C)NC[C@]1(CC2=CCCCC2)CCC[C@H]1C	2255143514	YPZBPFBFBCMMLQ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](Nc1cccc(C(C)(C)C)c1)C1CCC1	2257869282	KQTSMDMQSLUHHW-MRXNPFEDSA-N	245.410	4.975	0	10	BJAE	
CCC1(CC)CC(N)(CC2CC3(CC(C)C3)C2)C1	2259573036	ANZFNBWMLOGWQH-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@]12CCC[C@@H]1CC2	2260508763	REYFLAUQNUUQIF-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@]23CCC[C@H]2CC3)CC1	2260653072	WODBMYBSYLXVCB-USXIJHARSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@]12CCCC[C@H]1CC2	2260673639	SHQQKVOVPMAPGD-HZMVEIRTSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1[C@@H](C[C@@H]2C=CCCC2)CCC1(C)C	2261442012	FGSPPBLBBLTRMI-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@](C)(CN)C1CCCCC1	2300684987	ZVFWNOAWFJTILG-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CCC(CC)CCN1CCCC[C@H](C(C)C)C1	2300691666	WTEJJCORILEQHD-INIZCTEOSA-N	239.447	4.571	0	10	BJAE	
CC(=CC[C@@H](N)CC1(C)CC1)CCCC(C)C	2300933006	YTRZGUDIFNIOHK-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
C[C@H](c1ccccc1)N(C)c1ccccc1Cl	2301370623	ZKSHAJDHNAMISU-GFCCVEGCSA-N	245.753	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C1(O)CCCCCCCC1	2301858620	ILGJFBUWYCCDTQ-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@@H](C)[C@@H](C)C(C)C	2301900477	SZGHWSLHCOOYEI-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
N[C@H](CCCCC1CC1)c1ccc(C2CC2)s1	2302568909	DGHOANSLOXJIAP-CYBMUJFWSA-N	249.423	4.596	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(O)CCCCC2(C)C)C1	2302720769	HKAOBKDTWWNIMY-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCc1cscc1NCc1cc(C)ccc1C	2302881684	ATMHOYZOYPADSY-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1CCC(C)=C(C)C1	2303585557	WNVMJSRZHIVAOD-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CO)CCCCC1(C)C	2307870818	ANMJCTKPEPYSRD-ZBFHGGJFSA-N	240.431	4.782	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2CCC[C@@H]3C[C@H]23)C1	2309964289	LWCIGIXVBAOZHG-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312903595	RSIWQFHZFMJBOF-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCCN1C[C@H]1CCCC2(CC2)C1	2313614285	JGSQEVKZWVHDLD-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C1C[C@H]2CCC[C@H](C1)C2	2313641947	NNRWPTQZBMXUMR-QEJZJMRPSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCCC(C)=CCCc1ccoc1	2315976399	LZBXPXAOYQVZEC-UHFFFAOYSA-N	218.340	4.905	0	10	BJAE	
CC=CCCCC(=O)c1ccc(F)cc1C1CC1	2317108432	ZPUXMQNVQWVNOL-UHFFFAOYSA-N	246.325	4.632	0	10	BJAE	
C[C@@H]1CC[C@H]([C@H](N)CCC2=CCCCC2)C[C@H]1C	2317908644	BBYWHFBVMQNUHI-TXCZRRACSA-N	249.442	4.667	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)CC[C@@H]1C1CCC1	2318557738	OCDZWQGUBDIABT-SJORKVTESA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)[C@@H]1C=CCCC1	2318596845	DRCODQGMKUNODK-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2318945025	VTGPJCPJHJSOHP-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(CN)CC23CCCCC3)C1	2319071222	HUVNVTKCRAQBMK-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H]2CC[C@@H]2C(C)(C)C)c1	2320153643	MIXVRCSDFBPQLU-HIFRSBDPSA-N	244.378	4.558	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@@H]1CC[C@@H]1C(C)(C)C	2320219513	MBLUOFDZXPZJKJ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CNC[C@H]2CC[C@H](C)CC2)CC1	2320369409	RWZJMDGIFHXKOO-KBRIMQKVSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCCC(C)(C)C2=O)CC1	2320389396	ZVFYQPZFSUKFRM-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
Cc1cc(N[C@@H](CC2CC2)C2CC2)cc(C)c1C	2320700572	PVXISEWSAKTSDR-KRWDZBQOSA-N	243.394	4.602	0	10	BJAE	
CC(=CC[C@@H]1CCC(C)(C)C1)[C@H]1CC[C@H](N)CC1	2321638007	XRWGKHSREXNZDK-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@](C)(N)CCC(C)C)c1	2327660584	PILGNNKJVJYYMR-KRWDZBQOSA-N	247.426	4.729	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cc(C)ccc1C(C)C	2327677162	GEODYGZNBOFPKM-INIZCTEOSA-N	248.410	4.978	0	10	BJAE	
C[C@]1(N)C[C@H]2CC[C@H]1C[C@H]2CCC1CCCCC1	2327770593	QYZNPZJDVXPMOP-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@@]2(C)C=CCC2)c1	2327783029	XUVRTNBAKQJFBL-IRXDYDNUSA-N	244.378	4.508	0	10	BJAE	
CC[C@@H](Nc1ccc(F)cc1F)c1ccccc1	20023076	VICCLQOIJLFQHM-CQSZACIVSA-N	247.288	4.528	0	10	BJAE	
CCCCCCNc1cccc(C(F)(F)F)c1	20359093	HHTKFCZHQWACHS-UHFFFAOYSA-N	245.288	4.698	0	10	BJAE	
CCCCCC[C@H](C)Oc1ccc(C(C)=O)cc1	20516875	NAZAEPZTTFMIDX-ZDUSSCGKSA-N	248.366	4.627	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1c(C)c(C)cc(C)c1C	35491123	KNPFSBAKAHWZRZ-GTNSWQLSSA-N	247.426	4.617	0	10	BJAE	
CCCC[C@@H](CC)Nc1cc(F)ccc1C	68985585	WLCOKUYNEYVZFD-CYBMUJFWSA-N	223.335	4.515	0	10	BJAE	
CCC[C@@H](C)C(=O)c1cc(C)c(Cl)cc1C	70023511	RVCAOOHCZUTBOJ-SECBINFHSA-N	238.758	4.576	0	10	BJAE	
CCCN[C@H](CCCC1CCCC1)C(C)(C)C	80422709	QMJPFERRAQDWQF-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](CNC(C)C)CC(C)C	82441751	MTZKVVNWBSMIBT-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCC[C@@H](C)[C@H]1C	85097254	VFXDFQJZRYTWSN-JHJVBQTASA-N	249.423	4.645	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC(C)(C)CC2)cc1	86894058	UFIKZNYXNWVQDH-AWEZNQCLSA-N	231.383	4.766	0	10	BJAE	
CCC[C@@H]1CCc2[nH]c3c(C)cc(F)cc3c2C1	87819012	SDUHUPYAFYNTMY-LLVKDONJSA-N	245.341	4.520	0	10	BJAE	
CCCC1CCC(C(=O)c2cccc(C)c2)CC1	87959758	VFSJRNPASQUMAG-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](N)CC(C)(C)C)cc1	90483022	HJAYRKCKQHHKJZ-OAHLLOKOSA-N	247.426	4.810	0	10	BJAE	
CCCC[C@H](C)n1c(=S)[nH]c2ccc(C)cc21	94660241	DIJNLVOBPYRHKI-NSHDSACASA-N	248.395	4.759	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)c1cc(C)ccc1C	111647749	YLEJPWANGXGGHF-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
Cc1cccc([C@H](O)CCCC(C)C)c1Cl	124289037	KRFHFUWXKKWHKK-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCCC(CCC)[C@@H](NC)c1csc(C)c1	129400717	BWRGAYMSUWWHNG-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2nc(C3CC3)cs2)C1	132007783	HDXVKBVICAKVGX-CMPLNLGQSA-N	235.396	4.704	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@H](C)C2CCCC2)c1	132619924	RUBJOPWJQCMVGX-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@@H]1CC)c1ccccc1	163919439	WELYTCHFXWTWDY-BHYGNILZSA-N	245.410	4.696	0	10	BJAE	
Cc1ccc(-c2cc(C)c(C)cc2Cl)c(N)c1	164301426	MEANIWGVJJUIOH-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCC(CC)C[C@H](O)c1csc2ccccc12	167629867	KVMOHXYFQJNJRX-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C2CCCCCC2)C1	167674000	CHACXSYMDZKPNV-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CC[C@@H](C)C2)n1	228577916	AEWZMFNVHUKXTP-OUAUKWLOSA-N	223.385	4.560	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccc(Cl)cc1C	232887732	GLRIGWCXZZTNEP-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
CCC(=O)c1ccc(N[C@H](C)C[C@H](C)CC)cc1	233875566	VFPYFSRLWMWVPZ-CHWSQXEVSA-N	247.382	4.516	0	10	BJAE	
Cc1oc(C)c([C@@H](O)C2=CCCCCCC2)c1C	235966524	FFUMFJNZCZXEOM-INIZCTEOSA-N	248.366	4.519	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)[C@H]1CCC[C@@H](CC)C1	250555676	URIMAEKJXLQSJC-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	253037050	IOAWWWCDJWDNSD-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)CC1CCCCC1	300846394	KLCDJPKURVGTKC-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)C[C@@H]1CCCC(C)(C)C	302275670	ICAXRPNKJUGFPO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCc1sc2c(Cl)cccc2c1SC	307061007	KLZVTNJPMAKVQH-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1ccccc1[C@@H](NC)[C@@H](CC)CC(C)C	308069639	QHUOUYBEXXWQSX-RDJZCZTQSA-N	247.426	4.582	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)Cc1ccccc1C	308107787	KXFWBYMCJPGZHN-MRXNPFEDSA-N	246.394	4.569	0	10	BJAE	
CC(C)c1ccccc1C(=O)C1(C)CCCC1	310345770	NVYRDYGGFHTCGT-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
Cc1ccc(OC[C@@H]2CCC[C@@H](C)C2)cc1C	310547883	VNXPCEBQNGLYDJ-IUODEOHRSA-N	232.367	4.509	0	10	BJAE	
CCN[C@@H](c1ccc([C@@H](C)CC)cc1)C1(C)CC1	310614985	DRACSWSUBMOCLC-BBRMVZONSA-N	245.410	4.651	0	10	BJAE	
CCc1ccccc1C(=O)CC1CCCCCC1	310896103	ZUZDLQBACVHRTG-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(c2ccccc2C(C)C)C1	311031290	DZNUHOBZCJYEDC-YOEHRIQHSA-N	245.410	4.564	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CCCCC2)C(C)(C)C	313030426	ITCSUAPUQKRWHF-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1CCCC12CCCCC2	313081711	RMTXYOLEHMTJNN-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(C)c([C@H](C)NCCCC(C)(C)C)c1	313264845	OMSCNZLTYISQEZ-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CCCNC[C@]1(C(CC)CC)CCCC[C@@H]1C	317621339	FTQCCLDRDXMXAI-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C1CCC(O)([C@@H](C)C(C)C)CC1	319328980	JNDGRRQDYKYLHY-HLIUYOAVSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](CNCC(C)C)C(C)(C)C	319410292	NKFPEXGVLBHTML-RRFJBIMHSA-N	241.463	4.577	0	10	BJAE	
CC[C@H](C)[C@H](C)Oc1ccc(C(C)C)cc1	319638122	QAVHAGJQOMHMJK-STQMWFEESA-N	220.356	4.623	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@H]2CCCC23CCCC3)C1	328312103	XCWYSEUALFHXGJ-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)[C@H](C)NCCCCCC(C)C	383195660	XRSKNAPEOSZBKI-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cccc2ccccc12	385350959	PQIYBGDVLBMKNC-CXAGYDPISA-N	242.362	4.700	0	10	BJAE	
CC[C@](O)(C[C@@H](C)c1ccccc1)C1CCCC1	387565110	ZGXVAYPFRINLRL-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(O)CCCC12CCCC2	392833148	HCQGLMSFTICFRH-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H]1CCCC[C@H]1C	395042577	NXWAVWGVHVILAT-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CCCCCC[C@@H](C[C@@H](C)c1ccccc1)NC	395052912	QUDOCTRWKFMDKC-WBVHZDCISA-N	247.426	4.739	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CCCCC[C@H]1C	395240956	UKNIGSFTXHSCQE-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCc1cc2c(SC)ccc(CC)c2s1	396176510	FSZVNJSHQNAUNT-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CSc1cc(F)c2scc(C(F)F)c2c1	396239978	KUAFHWSKIIICCW-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@@]1(C)C(C)C)c1ccccc1	397239914	RATXXFQQKYONMX-BBWFWOEESA-N	245.410	4.552	0	10	BJAE	
CC[C@H](Nc1cc(C)cc(C)c1)[C@H]1CC1(C)C	397585979	INKDDKCDAYXAHV-CABCVRRESA-N	231.383	4.540	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@@H]1CCCC(C)(C)CC1	398106511	KRYWELJDELMFSB-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
Clc1ccc2ccn(C[C@H]3CC=CCC3)c2c1	402220055	QZSQRUAUTVYJOY-LBPRGKRZSA-N	245.753	4.651	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NC	402357287	WPBLVYDCOPVLFP-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1cccc(C)c1	691132371	CCNJXFLNENNAGL-ZBFHGGJFSA-N	231.383	4.766	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)c1ccc(C)c(C)c1	696256648	JDMWJOPYAHZVRY-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC1(C)C[C@@]1(CCC1CCCCC1)CNC1CC1	702202480	BEVSEFKUTAPQSG-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCC23CCCC3)CC1	703214575	IQTGYZQBAGASHV-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)C[C@H](C)C1CCCCC1	704889232	KNYYSVHHGGEBDN-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(CCC(C)(C)CC)[C@H]1CC1(C)C	707743322	LXURHSBKAZTQQH-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CC[C@H]2CCC[C@@H]21	707854897	AUHAVXNYARMLJB-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
C[C@H]1C[C@H](N[C@H]2CCCC3(CC3)C2)CC(C)(C)C1	708873015	XEQXVJFIPPMYDU-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
Cc1cscc1[C@@H](O)C[C@@H](C)CC(C)(C)C	709234771	KOYDPUJENZIWJD-MFKMUULPSA-N	240.412	4.552	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC/C=C\c1ccccc1	709257301	GRHWWRQLKNYBIH-QARUFBMTSA-N	244.378	4.731	0	10	BJAE	
CC(C)CNC[C@H](C)[C@H](C)C[C@H](C)C(C)(C)C	711125482	HYUIIHIHGQQFSF-ILXRZTDVSA-N	241.463	4.577	0	10	BJAE	
CC[C@@H](C[C@H](N)CCCC1CCC1)C(C)(C)C	711212097	GUBYGCZWOSPHQX-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]21	712486631	ILJKRAIJHBARLM-SMLCLMEVSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(N[C@H]2CC(C)(C)CC[C@@H]2C)ccc1F	713068515	VXLUXWOPALKVSB-NHYWBVRUSA-N	249.373	4.761	0	10	BJAE	
CCC(C)(C)C[C@]1(O)C[C@@H](C)CC[C@H]1C(C)C	713171519	XHBGVGGPWKVWKU-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)(C)C[C@H]1O	717488189	LCIILGGCVVQRTA-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)c1cc(C)co1	718409320	HVQADORZXHTYIR-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
CC[C@](O)(CCCC1CC1)CC1CCCCC1	720946637	YSDINCHXTTWRNE-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC[C@](O)(CC2CC(C)(C)C2)CC1	723544860	GMUYADDBIPQCBB-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CCCC2(CC2)C1	723602560	IYZKLIRQGDDRNU-ZDUSSCGKSA-N	249.785	4.783	0	10	BJAE	
CC(C)Oc1c(C(C)C)cccc1C(C)(C)C	725395869	CRXOYWWDGOWRJY-UHFFFAOYSA-N	234.383	4.895	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@]12CCCC[C@H]1C2	822096158	ZCMGIOQCITUTKQ-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N(C)CCC2=CCCCC2)CC1	1307515155	IEIMIUSCIDOUFP-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CCN(C[C@@H](C)CC(C)(C)C)c1ccccc1	1307560057	WNYFSMOVEUYJBC-AWEZNQCLSA-N	233.399	4.585	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@H]1CCC=CCCC1	1561043338	VPZLBLJXQUXKEP-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CCN(c1ccccc1)C1CCCC1	1653611374	GJAJHOWLMHNIOM-UHFFFAOYSA-N	245.410	4.872	0	10	BJAE	
CC[C@H](C)c1cccc(NCc2ccccc2)c1	1657705417	DRNWYEPLBAZNEF-AWEZNQCLSA-N	239.362	4.812	0	10	BJAE	
C/C=C/CCCc1ccc(C2CC2)s1	1885361434	JZRONRYEHNGJNR-NSCUHMNNSA-N	206.354	4.524	0	10	BJAE	
CCN[C@@H](C)CCC=C(C)CCCC(C)C	1900869685	VYZBZXZWEAWFQQ-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
C=CC=CCC[C@H](C[C@H](C)CC(C)(C)C)NC	1911798861	NGVFJPXBNKTOSC-LSDHHAIUSA-N	237.431	4.559	0	10	BJAE	
CCNCC(=CC1(CC)CCC1)C1CCCCC1	1911825356	RHMBLIQFFGPRFP-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc(NCCC=Cc2ccccc2)cc1	1911839643	OMABGYPTFUASNY-UHFFFAOYSA-N	237.346	4.510	0	10	BJAE	
CCC=CC[C@H](C)c1cc(C)c(C)cc1F	1912005348	XMVFHSOSLZGGCO-NSHDSACASA-N	220.331	4.902	0	10	BJAE	
CCCN[C@@H](CCC=Cc1ccccc1)C(C)C	1912111682	QBFSHRIVEBLFAK-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
CC(=CCCNC(C)C)C[C@H](C)c1ccccc1	1912121170	GDDUPZNLHPNANR-INIZCTEOSA-N	245.410	4.515	0	10	BJAE	
O=C1CCCCCCCC[C@H]1[C@@H]1C[C@H]2CC[C@H]1C2	1913385519	AZIQLNUHQDPNCJ-YHUYYLMFSA-N	248.410	4.742	0	10	BJAE	
CCC1(CN[C@@H]2CCC3(CCCCC3)C2)CCC1	1915866478	IECKWESNQHCICZ-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
O[C@@]1(C[C@H]2CC=CCC2)CCC2(CCCCC2)C1	1915885926	OTWMVUMTKJSTTL-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](O)(c1ccccc1)C(C)C	1919936357	ZPAJPIYCIDBROC-DOTOQJQBSA-N	248.410	4.603	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)c1cc(C)c(C)cc1C	1919969227	HRNMYMHQJLVTCD-YVEFUNNKSA-N	248.410	4.646	0	10	BJAE	
CCCCCC[C@](C)(N)Cc1cc(C)cc(C)c1	1920188613	UTPHQUTWQVPAGH-KRWDZBQOSA-N	247.426	4.534	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1CC(C(C)C)C1	1921277820	CEEXSSVWWZOATC-NFOMZHRRSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)c1ccccc1NCC[C@@H]1CC1(C)C	1921566216	ZGNZPDRGHCXFET-CYBMUJFWSA-N	245.410	4.832	0	10	BJAE	
CCCNC[C@](C)(CC(C)C)C1CCCCC1	1924112457	XOABQPNZVCLQQL-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)(CCC[C@@H]1C=CCC1)C(F)(F)F	1932596715	VVFIZPMCTVALCZ-SNVBAGLBSA-N	220.278	4.711	0	10	BJAE	
Cc1sc(Cl)cc1C(=O)[C@@H](C)CC(C)C	1933565377	JEHBYNPSPVWAKY-QMMMGPOBSA-N	244.787	4.575	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cc(C)cc(Cl)c1	1939678544	DWAITLYYQYKGCZ-BXUZGUMPSA-N	240.774	4.508	0	10	BJAE	
CC1(CCCC(=O)CCC2CCCCC2)CC1	1940877164	PSBGCDLAQMOJTO-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CN)CC=CC[C@@H]1C	1940947206	ILSBHPPDEDJMBM-HRCADAONSA-N	237.431	4.524	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](O)C[C@H](C)C(C)(C)C	1941243907	QAUCFSVRJBBOKB-ZNMIVQPWSA-N	242.447	4.738	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CCCC1CCC1	1941462827	GDPQQHNBLCZHNV-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CC(C)(CC(=O)CC1CCC=CCC1)C1CC1	1941793870	OHEMYYLHPKNHMP-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)CC(C)(C)C	1941813268	GBRYIUYKIJABHP-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCCC(=O)c1ccc(C2CCCC2)cc1	1944121138	FANKHWDDCZMPCS-UHFFFAOYSA-N	230.351	4.717	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)C1CCCCCCC1	1944796994	KJAPXINHINFQNM-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]1Cn1ccc2c(Cl)cccc21	1944797202	MPKAUZFFFCBALT-NEPJUHHUSA-N	247.769	4.731	0	10	BJAE	
FC(F)(F)c1cccc(CC[C@@H]2C=CCC2)c1	1947553185	VWRFNLAKOFANFS-LLVKDONJSA-N	240.268	4.604	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C=CCCC1)C(C)C	1947586399	MLUMCPMOSJDZCW-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCc1ccc(NCC2CC3(CC3)C2)cc1Cl	1948656873	YQBXJPKYDRCNAZ-UHFFFAOYSA-N	249.785	4.505	0	10	BJAE	
CNC[C@]1(CCC(C)(C)C)CCC[C@H](C)CC1	1950931846	ZSCGYYOGTHXBJB-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1967860644	PKZFQAUNJDXCPP-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](NC1CC(C)(CC)C1)c1cccc(C)c1	1973591639	UEBQXPGKLHXBAO-AQFXKWCLSA-N	245.410	4.614	0	10	BJAE	
CCC[C@@H](NCCC1CC2(CCC2)C1)C1CCC1	1973743945	MKSNDCTWGINPQR-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](NC)C(CC)(CC)CC	1978527374	REFBTLGYPFIGSB-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC=C(C)C)NCC	1981002793	UISYYIYVCFRIMP-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)C1(C)CCC1	1981372934	XWCXVBVAZKETMT-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCC[C@]1(CC(CC)(CC)CC)CCCN1	1984250717	MDLMYWZNFCBKMS-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC=CCCCC(=O)C1(C)CCC(C)CC1	1984575215	JRBZXJIWXCGXGH-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H](C)C1CCC1	1985607056	VVUKOQMBQYCCPY-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CC1(CCC)CCC1)NC	1988464153	LWNAISZVZJBZGX-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@@H](O)[C@H]1CC[C@H](CCC)CC1	1989785419	NSILVAAVTQPBCQ-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc(C3CCC3)cs2)C1	1995468299	VTSKEDWOYXESOH-PWSUYJOCSA-N	235.396	4.704	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1(C)CCCCCC1	1995827596	WJKKNZQTYXVZEM-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](N)C[C@H](C)CC(C)(C)C)C1	1996247124	FXTCPEXCCHZIBV-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H](C)C1)[C@H](C)CCC	1996248890	ZSZSRQMHRLSGMF-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@@H]1CC[C@@H](C)C1	1996268117	HVGFTKCDBMWFEY-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C(CC)(CC)CC	2000375814	HBPPQBJPNDMDNM-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CCC(CC)(CC[C@H]1CC1(C)C)CNC(C)C	2000500081	QMOVEZPLWPODHO-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[C@H]1C=CCC1	2000501375	DTTWLFWTKQOLSJ-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCC(O)(CCC)C[C@@]1(C)CCCC1(F)F	2002575101	AQSNPMRMKJFNQR-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1CCCC2(CC2)C1	2003189907	GGHYTTUVORASJZ-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1CCCC2(CC2)C1	2003285977	WGAVBGDTMQQYTQ-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@H](NCC)[C@]1(C)C=CCCC1	2003319762	CGJFFGUZWHYINR-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCN(C)[C@H](C)[C@H]1CCCC(C)(C)C1	2004161259	YGVZHDULNKGSGV-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](NC1CCC(C)(CC)CC1)C1CC1	2004342813	WJKWHZWSSNVALP-PCKAHOCUSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1C=CCCC1(C)C	2006900316	DNCDKBFAUMRLKI-HUUCEWRRSA-N	237.431	4.680	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2CCC(C)(C)CC2)CC1=O	2006943013	CPWDBEPIAPMKJG-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)CC2CCCC2)CC1	2007698717	UNIRHDWEJBRTOV-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CC(NCCCCCC2CC2)C1	2009322459	HEZUJYTYLJSADY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCCN[C@H](C)[C@H]1CCCC(C)(C)C1	2009590243	QZPWPVOUKHWART-MUHKLVGJSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H]1N[C@@H](C)C[C@H]1C(CCC)CCC	2009774787	UUQJZSMZFVOLJN-BPUTZDHNSA-N	239.447	4.760	0	10	BJAE	
CC(C)CC(O)(CCC[C@H]1C[C@@H]1C)CC(C)C	2011562290	GQAASLKOYRBCES-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@](C)(O)CC12CCC(CC1)CC2	2012819470	NAQUTPXLDNMSBF-HWOWSKLDSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@H](C)C(C)C)CC1	2015271709	NYZFIOBJRKCDBL-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1CC(C(C)C)C1	2016117826	SAOGSDRFQZWOGO-GPANFISMSA-N	237.431	4.523	0	10	BJAE	
CCCCCC1CC(N(C)CC(C)=C(C)C)C1	2017469662	UHXDISMGMQHJPI-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(O)CCCC[C@@H]2C)CC1	2017653384	RWEHYHDOSVXNJY-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@H](N)C[C@@H](C)CC)CC1	2017728612	NLXOTQIYOKEBMV-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(C)=CCCNC)CC1	2017732888	FVHCWHUVMBZQHZ-WKILWMFISA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@@H](CC)NCC1CC(C(C)C)C1	2018131284	SJHUHHUFEAFUOY-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@@H](CC)CC(F)F	2018183812	ZRQZHBBPEAVOMD-STQMWFEESA-N	249.389	4.568	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@@]12CCCC[C@H]1C2	2018565068	OLVPWJYRWLTETO-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@]12CCCC[C@@H]1C2	2018576305	ZJMZSDONEGGBHX-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H](N(C)C2(C)CCCCC2)C1	2019203827	RNCQWODSGZIJKW-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@H](C)C1CC(C)(C)C1	2019420925	JPXSRZIMJWUTEZ-ZIAGYGMSSA-N	239.447	4.568	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@@H]1C=CCCCC1	2019542013	GPERXXWYDWSEIP-MRXNPFEDSA-N	237.431	4.632	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@H](C)C1CCCCC1	2020966513	OPBKYDVLMDQFJQ-CJNGLKHVSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@@H]1CCCC(C)(C)C1	2024095210	PWQDHOSFGGNXKV-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](NC)c1c(C)cc(C)cc1C	2028251122	CVDYDJAWLBEQSY-NVXWUHKLSA-N	247.426	4.555	0	10	BJAE	
CCN[C@@H](C=Cc1ccccc1)CC(C)(C)CC	2028571461	IHWQSHWAPPZQAQ-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)[C@@H]1CCCC[C@H]1C	2028897328	KZHDDMIBTDUVCD-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](O)c1ccc(C2CCCC2)cc1	2031747628	WPUQQUJPFFJOEY-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@H](C)c2cccc(N)c2)C1	2031801514	OIICYJXBBYLXLM-BARDWOONSA-N	245.410	4.835	0	10	BJAE	
C[C@H]1C[C@@H]([C@@]2(N)CCCCC23CCC3)CC[C@H]1C	2035923320	HYBBFAJUJXYBDR-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@H]1CC12CCCC2	2036096555	LQQDHRFVXLIRPK-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)Nc1ccc2[nH]ccc2c1	2036383878	PXRZTMHUYBRVIB-OLZOCXBDSA-N	244.382	4.651	0	10	BJAE	
CCCN[C@@H](CCC)Cc1cccc(C(C)C)c1	2036955087	JZLYROBOPNLUBI-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
CCCNCC1([C@H]2CC[C@@H](C)C2)CCC=CCC1	2037696822	BTEGZZSVHAHXRA-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](N[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2038624086	XWPNFSQWRSEZJU-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CCC1CCCCC1	2039436505	PXRQNSQTWJMYQO-XIRDDKMYSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CCC(C)CC2)cc1C	2040633805	SCFJGNFACHTZSW-DSSZZKGTSA-N	245.410	4.930	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2CC=CCC2)CC1	2041383334	MZDQIVFKGCXEKI-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H](C)C1)[C@H]1CC=CCC1	2042024774	OYVMYHKNCBQEGF-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](NC)[C@]1(C)CC=CCC1	2042028153	UCQVHJLXKIQFQD-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@@]1(CCCC2CCC2)CC=CCC1	2042092636	YDDRGPPIRSGBSC-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
O[C@]1(C[C@@H]2CCC=CCCC2)CCC2(CCC2)C1	2045341312	YQUXKTYWIHCTGE-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@H]2CCCC(C)(C)C2)c1	2045461284	ZJXDVBUTAKPDAK-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CC2CC3(CCC3)C2)C1	2045555708	LYROGBSOXWAFJL-SWLSCSKDSA-N	246.394	4.518	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@H]1CCC[C@H](C)C1	2045681469	ZIEOGQWMKRNSBY-NZUILWFCSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@H]1CC12CCCC2	2047008200	MRMQVIMCWVDNFF-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@@H](C[C@@H]2CC23CCCCC3)NC)CCC1	2047014082	ZLHHZJCTGGQPJM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2CC23CCCCC3)C1	2047017205	UHQHIBGJGWZTNW-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2CC23CCCCC3)CCC1	2047034963	ZULHNWUUKXZJQJ-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@@H]1CC12CCCCC2	2048874001	HOGVIHZUAMSDHS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@]1([C@@H](O)C[C@@H]2CCC=CCCC2)C=CCCC1	2050010727	WHDPTRCMRMRSDX-IKGGRYGDSA-N	248.410	4.620	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@]2(C)C=CCCC2)cc1C	2050010830	WUFCQMBNZHAEQB-QGZVFWFLSA-N	242.362	4.541	0	10	BJAE	
C[C@]1(Nc2ccc3ccccc3c2)C=CCCC1	2050024149	RPEFBDSCNAXISS-KRWDZBQOSA-N	237.346	4.751	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H]1CC12CCCCC2	2051407243	SLDCTENTQRYVHL-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCC(CCC)CNCc1c(C)cccc1C	2052172695	MKJWUBPRRKMQAU-UHFFFAOYSA-N	247.426	4.609	0	10	BJAE	
CC1(C)CCCC[C@@]1(CCC1CC1)CNC1CC1	2053383694	MUCAXIDERNKNTK-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CCCC[C@@H]3F)c12	2055271375	SIZCTIJGWCQQRI-LSDHHAIUSA-N	245.341	4.657	0	10	BJAE	
CC[C@H]1CC[C@H](NCC2(C)CCC3(CC2)CC3)C1	2056537191	VDFLEEVPRVKECM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C)([C@H](N)C2=CCCCCCC2)CC1	2056552125	JOCHPBINEBJUNA-ARWYELJZSA-N	249.442	4.811	0	10	BJAE	
CCC1CC(CC(=O)[C@H]2CCCCC23CCC3)C1	2056666800	WJPNQZYAKAELIM-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1CC(C2CCC2)C1	2056680016	OMBNMWDSCXBJMG-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H]1CCCC[C@H]1C	2056879958	XZKMWRFRZLJDTI-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC([C@](C)(N)C=C2CCCC2)CC1	2056906213	AWPMAXKVCZQTMX-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCC1(C2CC2)CCCC1	2057605066	YTLDOTZAGKOMBS-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(N)(C[C@H]2CC23CCCCC3)C1	2059495709	QHPKULUMIIEZNR-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CC=C(CC(=O)CC2CCCC2)CC1	2061193839	BWQLBRLZEQIFKV-MRXNPFEDSA-N	248.410	4.908	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CC1CC(=C2CCC2)C1	2061687899	JRRUHWFGSKLYNM-IAGOWNOFSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@H](N)CC1CC(=C2CCC2)C1)C(C)(C)C	2061738051	YFNNAIQMRRQHGF-WBMJQRKESA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](CCCC1CC(=C2CC2)C1)C(C)C	2061742149	VAZDQRFXVZHXQF-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
N[C@]1(C2=CCCCCCC2)CCCCCC12CC2	2062022233	BUWSNTZIEKASGX-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC=CCCC[C@H]1C[C@H](NCC)CC2(CCC2)C1	2063629349	ZDBDZGIORDXYIO-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H](C(=O)C23CCCC2CCC3)CC[C@H]1C	2063850020	CELRUUVIHXTETL-SIXWEGLFSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNC12CCCC1CCC2	2063908674	JKHZTIZMKUPPDT-JUVOFCAFSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(C)CC1)CC12CCC(CC1)CC2	2065309836	GMDQCERULIWKMN-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1CC12CCC(CC1)CC2	2065334338	CLMJZZGXWQUUSK-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
CC1(CNC2CCC3(CCCCCC3)CC2)CC1	2065893064	UGEVEEFRKMOWNO-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H]2CC[C@@H]3C[C@@H]23)CC1	2071060635	YVGKKHIHTOMWNC-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](C)CC1)[C@]1(C)C=CCC1	2072797354	YMBSGIPVXMREDW-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@@H]2CC[C@H]3C[C@H]23)CC1	2072881756	MPRULLOFPJNSNS-WNZSCWOMSA-N	248.410	4.598	0	10	BJAE	
CCCN(CC1CC2(CCC2)C1)C1CCCCC1	2076585231	JRIXCUDHKPSQQA-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccccc2C2CCC2)C1	2077263730	CHGBNIGPWCVPJS-HIFRSBDPSA-N	243.394	4.945	0	10	BJAE	
c1ccc(C2CCC2)c(NCCCC2CCC2)c1	2077264341	PPIQOVYKVXNCAQ-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
N[C@H](C[C@H]1C[C@@H]1C1CCC1)C1CCCCCCC1	2079292914	APCHAYZDDBVXCJ-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2C[C@@H]2C2CCC2)cc1	2079339113	YQOPVIMAWFCIKL-DOTOQJQBSA-N	244.378	4.625	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1C[C@@H]1C1CCCC1	2079451327	PWXKDLOWABBJPR-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCNC[C@@H]1C[C@H]1C1CCCCC1	2079460958	IMMNDUDEIXPFEZ-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
C1CCCC(N[C@@H]2C[C@H]2C2CCCCC2)CCC1	2079533127	WEMVCPAKOJEMJF-DLBZAZTESA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)C[C@H]1C[C@H]1C1CCCCC1	2079670116	KVAFBGVELKPPPF-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCC1)C[C@@H]1C[C@@H]1C1CCCCC1	2079851553	LVMFJEBAVZRVFU-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(CN)CCCC23CC3)C1	2082991650	SGIYXAVQVXVLPN-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
C=C=CCCC(=O)c1ccc(-c2ccccc2)cc1	2125590480	OLAJFIKIFUWPGK-UHFFFAOYSA-N	248.325	4.658	0	10	BJAE	
c1ccc2cc(NC3CC4(C3)CC43CC3)ccc2c1	2127618399	LYXYZWAOWMDBHT-UHFFFAOYSA-N	249.357	4.584	0	10	BJAE	
CC(C)C[C@](C)(N)CCCCCCC1CC1	2210525928	XBPMVAXLFDYHSF-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](C)c1ccc([C@@H](C)CC)cc1Cl	2210788191	QMTYOYJPKVTGCX-WDEREUQCSA-N	239.790	4.524	0	10	BJAE	
CCC(=O)c1ccc(SCCCC2CC2)cc1	2214542622	KYUBZAMLWJUWSI-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H]2CC[C@@H]2C)CC1	2215058441	CPOYWAJANGJJSJ-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC1(C)CC2(CCC2)C1	2215392657	HDLLTSFIEHQTKH-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC1CC(C(=O)CC2(C)CC(C)(C)C2)C1	2215440297	AEQKEMKNCHWNBF-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCC(C)=C(C)C)CC1	2215820124	AXSQGSYRWZNYOB-INIZCTEOSA-N	234.383	4.829	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@@H](N)CCCCCCCC1CC1	2216858582	DHHKLTDCGOSPPM-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](C)(CN[C@H](C)CC)CC(F)(F)CC	2217126998	GINLBOOCJGYNFI-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1CCC[C@H]2CCCC[C@@H]21	2218017968	OQHXEUWQJKZLGE-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CCC1([C@@H](N)CC2C[C@H]3CCC[C@H](C2)C3)CCC1	2218321918	HRURWEYYMIVNJX-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218330127	FDQRJJXFCVKKOQ-RZLSGREXSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1C[C@@H]2CC[C@@H]2C1	2218724798	KICRGMHAQBKWBM-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@]12C=C[C@@H](CC1)C2	2218731492	KPTXKCHRGZZAOA-RDJZCZTQSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)[C@@H]2CCCC23CCC3)C1	2221028813	UBUPJRGBRYPBSP-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@]2(C)CC=C(C)CC2)CCC1	2221613078	BVJDSLWGMUTOKR-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CCC[C@@H](C)CC2)CC1	2221642758	IXRSVDLMGSRTKQ-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)NCC1(CC2(C)CCCC2)CC=CC1	2223562901	FRXODGUMRHQFIE-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCc1cc(Cl)cs1	2242274501	GERXJFCQNOOELZ-UHFFFAOYSA-N	214.761	4.690	0	10	BJAE	
CSCc1cccc(CC2=CCCCC2)c1	2243239859	YBDRXYWFMGNTFQ-UHFFFAOYSA-N	232.392	4.593	0	10	BJAE	
CC1CC(C)(C[C@@H](O)C[C@@H](C)CC(C)(C)C)C1	2246527702	QJRNWKFJVOLANT-RXFTYZNJSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)[C@H](N)CCC[C@H]1CCCCC12CC2	2246604850	AMHBEKJJKCORBM-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(CC)CC[C@H]1CCCCC12CC2	2246623767	PDPJGVGJZPAWOM-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC1(C)CC(O)(CC[C@H]2CCC[C@H](C)C2)C1	2246687670	QAYTYGISFXWSOT-QRNKSROTSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCN(C)C[C@@H]1CCC1(C)C	2247345098	IJMIDPWULNMWET-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](CC[C@H]1CCC12CCC2)NCC	2247441450	OPAKPFLOBMEADX-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)CN(CC)CCCCC[C@@H]1C[C@@H]1C	2248838416	AOWVEZRYEYJIQE-HRCADAONSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H](CC)CCC	2250359685	FGWJJYCTOHDOSV-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cccc2sccc12	2250368727	DJOHLEFKJPUIJO-XHDPSFHLSA-N	248.391	4.761	0	10	BJAE	
CC1=CC[C@H](CC[C@@H](C)CCCC(C)C)[C@H]1N	2250481555	NDWCSTXDWYXAPD-BPUTZDHNSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC(=O)[C@H]1C	2250484785	HSASKQDSXSVXAC-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
Cc1csc(C(=O)[C@]23CCCC[C@H]2CC3)c1C	2251110215	GERAALYBADFIIQ-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CC[C@](N)(C[C@@]12CCCC[C@H]1CC2)C(C)(C)C	2251212148	PVDTUACIYUHAMS-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCC2CC(C)C2)C1	2251764332	BHEYRUDYYJXGJB-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
Cc1cc([C@H](N)CC[C@H]2CCC[C@@H](C)C2)oc1C	2253938063	KPHNQMJBBKSQAR-KCPJHIHWSA-N	249.398	4.503	0	10	BJAE	
C[C@@H](CC[C@H]1CCC[C@@H](C)C1)c1ccc(N)cc1	2253967240	FTWGJOZEUADDLR-QLFBSQMISA-N	245.410	4.979	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)CC2=CCCCC2)C1	2253994028	BUMAZLKBDCLCLT-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CCCc1ccccc1NCCCC[C@H]1C[C@H]1C	2254541718	BERVGLFANFPMBA-ZBFHGGJFSA-N	245.410	4.877	0	10	BJAE	
Cc1oc(C)c(C(=O)CCCC[C@H]2C[C@@H]2C)c1C	2254607037	HEUPGXXQSAVQJX-HZMBPMFUSA-N	248.366	4.604	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(C[C@H]2CCC23CCC3)C1	2255025885	PAEBBSODMFZBOJ-OAGGEKHMSA-N	249.442	4.502	0	10	BJAE	
CN(CC1=CCCCC1)C1CCCCCCCC1	2255200026	FEMZFXZDKSORAI-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
CCCC1([C@H](CC[C@@H]2CCCC23CC3)NC)CC1	2255290923	KRGXPXLCQBHPNK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC[C@H]2CCCC23CC3)C[C@H]1C	2255333606	WTPPNIRFAYRTID-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC1(N)CC2(C1)CC2(C)C	2257245681	BMIYCMSFCIENFJ-HOBHPSKFSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(N(C)CCCCC[C@@H]2C[C@H]2C)c1	2257283581	NEIMRBQWHNDMQO-HZPDHXFCSA-N	245.410	4.648	0	10	BJAE	
C[C@@H]1[C@H](CCNc2ccc3ccccc3c2)[C@@H]1C	2260448149	UWGRJIPHRTUSSG-FVCICTRLSA-N	239.362	4.544	0	10	BJAE	
CCCCC1CC(N)(C[C@@]23CCCC[C@@H]2CC3)C1	2260678995	OTSMCNJHYGVRMR-GMRIPVOYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H](C)CC1CC1	2298919695	GZRSQNQOOVYXLI-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc([C@H](N)CC2=CCCCC2)s1	2300610908	OJCWOTHGKMHQFX-CQSZACIVSA-N	249.423	4.591	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H]1CCCC2(CC2)C1	2300673941	ONBQZCOPZRKOHX-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCCCCC[C@@H]1O	2300675375	DVOKDPBZJYFKBT-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
CC(C)=C(C)CNc1cc(C2CC2)ccc1Cl	2300689965	DHIWVKJGIIHISB-UHFFFAOYSA-N	249.785	4.986	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CC1CC(CC)C1	2300868904	CXMZNQNRSTWUSZ-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](N)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301137290	HKRFJSGQMAKVQE-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CNC(C)(C)C)CC1CCCCCC1	2301188626	MWOTXGZJYAWIPQ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@H](C)[C@@H](C)C(C)C	2301837166	QVQCIBZGPVTHCL-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CC1CCC(O)(CCCC2=CCCCC2)CC1	2302326997	VGPKBPRGZPZCDV-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CCC[C@H]1C[C@H]1C	2302614390	ATQXYNWOIKXHRC-FXUDXRNXSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@@H](CC2(CO)CCCCCC2)C1	2302718945	FAWKLAVYEJIQFF-CQSZACIVSA-N	238.415	4.536	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@H]1CC[C@H]1C(C)(C)C	2303506865	ADPKOZHRRPOOOE-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C[C@H]1CC[C@H]1C(C)(C)C)NCC	2303511734	QGDCVHACLXIZSF-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](O)CCC2(C)CC2)C1	2304431164	HVRPXYKCTIKREM-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](C)CC(C)(C)CC[C@H]1CCC(C)(C)C1	2304446860	JKUIZNNTCXXGDH-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC)CC[C@H](CC)C1	2307764429	XCZYFBGQAZBSKH-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(N)CCCC2(CCC2)C1	2307816961	KLEOPJWCLMYQQP-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CN)CCC(C)=C(C)C1	2307840745	DCPTUKOAIIJTJR-HZPDHXFCSA-N	237.431	4.668	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1CC2CCC1CC2	2307895043	OWSXXDLXSOPIRE-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2CC[C@@H]3CC[C@@H]32)cc1	2308177190	XWWVSZSMFGJHIG-NQZOLGFYSA-N	243.394	4.801	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CCC1	2310986126	QLQMTMFJRPEKFC-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCC1	2311513433	ZKWLQXOFQQCHPK-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H]1N[C@@H]1C[C@H]1C1CCCCCC1	2311539224	XMSFEMJLHBOOOK-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CC[C@@H]1C2	2313179187	IIVCULOTYVZEHI-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
N[C@@H]1CCCCCCC[C@@H]1C[C@@H]1C[C@H]2CC[C@@H]1C2	2313184700	KBQHQFXJPIVWID-JZAWBGDQSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)CCc1ccccc1	2316277385	JVMGJFZELFAMAE-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2CC(C)(C)[C@H]2C)cc1	2318259194	PYPMJFWYKAXXES-SWLSCSKDSA-N	244.378	4.675	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cc(C)c(O)c(C)c1	2318434108	AKKWETIFZBEEKM-CQSZACIVSA-N	247.382	4.556	0	10	BJAE	
CN[C@@H](CCCCC1=CCCCC1)C1CCCC1	2318542796	XVSRPKFGMJBNFD-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CN(CCCC1=CCCCC1)C[C@H]1C=CCCC1	2318573324	QKCZHJPVMGQGHE-KRWDZBQOSA-N	247.426	4.555	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)CCCC[C@@H]2C[C@@H]21	2319245057	BGYHONOXEMRIGW-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC[C@@H]3C[C@@H]32)cc1C	2319248940	IQUVPWCSVSXDQM-HYVNUMGLSA-N	243.394	4.548	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCCC[C@@H]3C[C@H]32)CC1	2319454199	OPDGAPPJXDTUSA-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1OC[C@@H]1CC[C@H]1C(C)(C)C	2320252643	ILIRZQZAHUFUGO-LSDHHAIUSA-N	246.394	4.700	0	10	BJAE	
CC[C@@H](C)C[C@]1(CNC2CC2)CCC(C)=C(C)C1	2320268852	UNFFMCMFOAAUFE-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)[C@]2(C)CC=CCC2)C1	2321612282	ZLXZOLSXWKYSRF-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCc2ccccc21	2328098077	RQJAOUGCMMDHTD-XJKSGUPXSA-N	244.378	4.502	0	10	BJAE	
Cc1ccc([C@H](N)C[C@@H](C)CC(C)(C)C)cc1C	36889616	IANYYCBEDVTPIU-MLGOLLRUSA-N	247.426	4.766	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H](C)c2ccco2)cc1	36953617	YFBNQWKASRGODT-QWHCGFSZSA-N	243.350	4.966	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@@H](C)c1cc(C)oc1C	37032493	CEGKUAGQNWHGPC-DUVNUKRYSA-N	249.398	4.516	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)CC2CCCC2)cc1	38137893	VWKABPMMXDQHII-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCSc1ccccc1N[C@@H](C)[C@@H](C)CC	71104760	IWWDYMLFHTZSCG-RYUDHWBXSA-N	237.412	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccccc2SC)C1	71109573	HASHHUVYPWAEFA-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccc2[nH]ccc2c1	71159044	SXRUCONKOSEMRS-WBMJQRKESA-N	242.366	4.549	0	10	BJAE	
CCCCCCn1ccc2cc(CC)ccc21	75233147	KRHOZTWRLDXVBU-UHFFFAOYSA-N	229.367	4.784	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CCC(C)(C)CC2)C1	79675615	ZMNBGDFFVMQFHI-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCCCCN[C@H]1CCCC(C)(C)CC1	83435173	MVXZDVJHERIGNB-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCc1cccc(O[C@@H]2CCCC[C@H]2CC)c1	85150879	XBIACTKGYOMOIV-GDBMZVCRSA-N	232.367	4.597	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2c(C)cccc2Cl)C1	85387983	AAJIKSLYLQGQCB-NWDGAFQWSA-N	237.774	4.639	0	10	BJAE	
CC1CCC([C@]2(N)CCCC(C)(C)CC2)CC1	86897201	SNQMVVRSKWASRX-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc2cc([C@@H](N)C(C)(C)C)oc12	88076617	LYNYLNCSQMDILQ-OAHLLOKOSA-N	245.366	4.602	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@H]2CC=CCC2)cc1	88746547	HDRFLOTVXBVKDM-YOEHRIQHSA-N	243.394	4.569	0	10	BJAE	
CC(C)[C@@H]1C2=C(CCCC2)c2ccccc21	95630761	IJBADPVNLRJTBC-INIZCTEOSA-N	212.336	4.767	0	10	BJAE	
Cc1cc(C)c2nc(Cl)c(C(C)(C)C)cc2c1	109607134	MMDWQURSNTZYNS-UHFFFAOYSA-N	247.769	4.803	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)c1ccccc1	109724420	WHMGCMYPPDIWAX-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CCCC(CCC)Nc1ccc(OCC)cc1C	109915021	LQPJOGQCLCDHJF-UHFFFAOYSA-N	249.398	4.774	0	10	BJAE	
CCCCCC[C@H]1CCCC[C@H]1CNC(C)C	130151381	DHWTXLLQUZCXPD-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccc(-c2ccc(Cl)cc2N)cc1	132076346	HLTMUKGMJBYHAH-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccccc1C	148410842	LULNWQGFXXUKLY-INMHGKMJSA-N	245.410	4.614	0	10	BJAE	
CCCC1(CCC)CC(CN)(C2=CCCCC2)C1	161000690	BLDQXFJBTPPXPX-UHFFFAOYSA-N	249.442	4.812	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cc(C)ccc1C	163957037	DYZAFRUALYDNQZ-UXLLHSPISA-N	245.410	4.533	0	10	BJAE	
C=CCOc1ccc(-c2ccccc2)cc1Cl	216583265	WJHGZNZZFNJAFZ-UHFFFAOYSA-N	244.721	4.572	0	10	BJAE	
Cc1ccc2nc(Cl)n(C3CCCCC3)c2c1	217624642	POKDIBURJRGYIN-UHFFFAOYSA-N	248.757	4.503	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCC[C@@H](CC)CC1	219283170	BUCAOJSJNLMIRQ-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]([C@@H](NCC)C(C)C)CC1	220847590	BCJYSEXNRCVZCS-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
C=CCCCCCCCCCC(=O)C1CC1	222163507	SSNGDRRBSRBRPU-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCCC[C@@H](CC)NCC[C@@H]1CCC[C@@H](C)C1	226863414	IUNVJOGFKROOBV-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCc1cccc([C@@H](N)CCC2CCCCC2)c1	228848980	BEWCPMDRLFELDD-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CC[C@H](C)c1ccc2oc([C@H](CC)NC)cc2c1	232359589	VKNVJALHKBRPNA-FZMZJTMJSA-N	245.366	4.617	0	10	BJAE	
CCCCCC[C@H](NC)C1(C)CCCCC1	232947618	NXYZIBBWVDFAEC-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H](C)CCCC	300978713	TWGDRTPREVEMPK-QLFBSQMISA-N	227.436	4.747	0	10	BJAE	
CC(C)Cc1ccc([C@H](N)CCC(C)(C)C)cc1	302315573	HAWCNNOKBQHHLW-MRXNPFEDSA-N	247.426	4.711	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)CCC1CCCCC1	305920606	LYUZGCJSRSSJPU-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CC(C)CNC[C@H](C)CCCC1CCCCC1	305954755	NPMORHIIBDJHRD-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCCC2(C)C)cc1C	305955721	DOUPIKMAWBQPAI-MRXNPFEDSA-N	245.410	4.938	0	10	BJAE	
CSc1cc(C)c2c(Cl)csc2c1	306788836	XJRGKSSRODDNNJ-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1cc2c(CC)cc(Cl)cc2s1	307315280	XKEUKFOSNAEWLE-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@@]2(C)CCCC[C@@H]2C)C1	308695668	DVQIBQBBTWNPMN-HJWJTTGWSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CCC[C@]1(C2CC2)CCCCCN1	309993317	LUWGQQDIUWGZKV-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C(C(C)C)C(C)C)[C@H](C)[C@@H](C)CC	320061327	WAAWEGZYKFCOBD-SQWLQELKSA-N	241.463	4.575	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCCC12CCCC2	383107504	DMHVDWKAPIHSLI-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CC[C@@H](C)C1	383210962	ASDRFBKVHMZTEF-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CNC(C)C)C[C@@H]1CCC[C@@H](C)C1	383686349	PUZWJFQYPQXYJK-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1(O)CCC(C)(C)CC1)c1ccccc1	384305482	KNBPNKUEQACAKQ-CQSZACIVSA-N	246.394	4.512	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H](C)C1)c1cccc(C)c1	385031013	GSVZIFSEBIOIGZ-UAGQMJEPSA-N	245.410	4.614	0	10	BJAE	
CCC1(NC[C@H]2CC(C)=C[C@@H](C)C2)CCCCC1	389645059	OGJOEOAKNDJLHS-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC(=O)c2csc(Cl)c2)CCC1	393582865	YDOFPCPAYBJHJP-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC2(C)CCCCCC2)C1	394580173	BWFZCFDHVDARMZ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCc1cc2ccsc2c(F)c1C(F)F	396240961	LGEYCVJAMSUOCQ-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC(C)(C)c1ccc(CC2=CCCC2)cc1	401051257	AWOQDXGKIYVXQR-UHFFFAOYSA-N	214.352	4.637	0	10	BJAE	
CCCCC[C@H](CCC(C)(C)C1CC1)NCC	405778763	BWAHFWIDLJLUAB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCC1CCC1)CC1CCCCC1	688392949	KSHXYYHRCNHFFD-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)c1cccc(C(C)C)c1	688950649	MOJUMSUQVLJNPC-RHSMWYFYSA-N	247.426	4.882	0	10	BJAE	
CCCCCNc1cccc(C2CCC2)c1	690107621	AMJZKBMYBBOVJQ-UHFFFAOYSA-N	217.356	4.556	0	10	BJAE	
C[C@@H](Nc1cccc(C2CCC2)c1)[C@@H]1CC1(C)C	690165722	ZRGIUEDSPXEZIT-WBMJQRKESA-N	243.394	4.801	0	10	BJAE	
CCCC[C@@H](CC)c1ccsc1CNCC	693091856	OZFBBRVVAQUBNQ-GFCCVEGCSA-N	239.428	4.541	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCC12CCCC2	694334404	VZRIGTCAHIGSFV-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@@H]1CCCC2(CC2)C1	695955702	JWTFDYKSKWLDSF-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CCC(C)(C)CC)C1	696740703	RSAKHEFXRBZHGJ-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)CC2(C)CCC2)C1(C)C	699049897	JMPRMPIUMDVFFJ-MLGOLLRUSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H]1C[C@@H]1C(C)(C)C	700004397	ZTUGDSWMXBLKBX-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cc2cc(C)ccc2o1	701069480	SUHUEQNBFNNBTB-HNNXBMFYSA-N	246.350	4.601	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)c1sccc1Cl	704610058	HRZONPMLKRJMEE-SCZZXKLOSA-N	246.803	4.507	0	10	BJAE	
CC(C)[C@@H](Nc1cccc2ccsc12)C1CC1	705363837	BDRRWBSHFZIHFT-CQSZACIVSA-N	245.391	4.748	0	10	BJAE	
CC(C)CCCCNc1ccccc1Cl	707330517	BYMNQBLVKQRGQT-UHFFFAOYSA-N	225.763	4.578	0	10	BJAE	
CCC(CC)COc1cccc2sccc12	707694602	HITPYNAASDRROF-UHFFFAOYSA-N	234.364	4.716	0	10	BJAE	
CN[C@H](CCC[C@H](C)CC(C)(C)C)C(C)(C)C	709189521	PIHNTMRNRYKCOT-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
C[C@H](C[C@@H](N)C1CCCCCCC1)C(C)(C)C	710757719	AKHVFPUTWWWUBH-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C[C@H](NC)C1=CCCCC1)C(C)(C)C	711212681	KUXJHFZDJNOJAX-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)C[C@@H]2CCCC[C@@H]21	712472098	ATBVVPPEGCPTRP-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H](C)CC1CCCC1	712526063	XJLFMXMPCGYUOC-DZKIICNBSA-N	239.447	4.760	0	10	BJAE	
CCc1cccc(N[C@H]2CC(C)(C)CC[C@@H]2C)c1	713061098	PMUJLCAFGVLAJB-BBRMVZONSA-N	245.410	4.876	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H]1CC[C@H](CC)C1	713175549	RHIXQQDUAAALSD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC(=O)C1CCC(C(C)(C)C)CC1	713330843	BHWLHIZPIAWXKQ-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C\CCNc1ccccc1-c1ccccc1	713674645	YZDPIGMDCDQFQE-ARJAWSKDSA-N	249.357	4.898	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@@H]1CCC[C@H](C)C1	713745617	LHPPPPOMJRZJSR-AKLKCZIESA-N	249.442	4.703	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCC(C)(F)F	713915610	OFQCQOOJSLWBOJ-NSHDSACASA-N	234.330	4.597	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@@H]1CC[C@@H]2C[C@H]12	716902332	UXGDQSSUBIMPHG-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CNCC1(CC2CCC(C)CC2)CCC=CCC1	718120718	XRJLTGVCGQSNCU-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)c1ccccc1F	718524873	GNQBYSDRTLYVAG-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@H]1C[C@H]2CC[C@H]1C2	720350994	MYYHEQQWWNFKGV-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC[C@@H]1CCCCC1(C)C)c1ccccc1	1168765836	MYFVCZUORZPWSL-ZBFHGGJFSA-N	245.410	4.554	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)CC(C)(C)C	1205889218	BMQVGKHJCADJSQ-KBPBESRZSA-N	225.420	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)CCC=C(C)C)C1	1205889455	HGRCIRQIODRCFN-OAGGEKHMSA-N	237.431	4.680	0	10	BJAE	
C[C@@H]1[C@@H](NC[C@@H]2CCC=CCCC2)CCC[C@H]1C	1462658907	MRSFYQCLZQBECP-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNCC1(C)CCCCC1	1560491765	XUVCJAHAYNPSJC-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CCC[C@@H](N)CC1CCCC1	1900699944	GCTQMTZPWFGDQN-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC(C)=CCc1ccc(C2CCC2)cc1	1900899213	XZIMBOZEGPBDMJ-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
N[C@H](CC1CCCCC1)C1CC2(CCCCC2)C1	1912646158	PVDMBQFFFMSQTC-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(C)c1NC1CC2(CCCC2)C1	1912725210	DJZMSCDGUFNFIM-UHFFFAOYSA-N	243.394	4.692	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CNCC)C=CCC1	1916345101	SDJPJKVCMPWYLO-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](CC)CCC(C)(C)CNCC	1916471681	PYOKNISWNWVPAT-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CC[C@H](CC(=O)CC[C@H]1CC1(C)C)C(C)(C)C	1921412365	GMTYAOTVKVZBBX-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1C[C@H]2CCC[C@H](C1)C2	1923480887	RWYCWWVVVTVWNF-MPTYRVRUSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CCNC[C@H]1CCCC[C@H]1CC	1926169476	CRRHKOTXRHTBEC-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C(=O)CCC1CCCCC1)C(C)C	1936208882	MMGRIAKSGKMNNR-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CCC(C)=C(C)C	1936210039	WFCOPARAQNKYIZ-LSDHHAIUSA-N	225.420	4.523	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CCC(C)(C)CC	1936212399	LTKFALQXBALTCB-UONOGXRCSA-N	227.436	4.602	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)c1csc(C)c1	1937275751	BBXBRJQYRHSTFL-YPMHNXCESA-N	239.428	4.533	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCCC1)C1CCC1	1940411695	ZFQGKKLBASVCQB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CC1(C)C)C(CC)CC	1940857064	SYBCEZMBBIPFOE-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(OCCCC2(C)CC2)cc1	1940866121	YHKGMKQTYZGUFA-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H](CC(C)C)C(C)C	1941266822	KDBQANYOVJQQCS-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(=O)CCCCCC1CC1)C(C)(C)C	1941581169	HZDCBSQCYZRBPS-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C1(C)CC(C)C1	1941980704	VOOVXKNDGYVYKK-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)c1ccsc1C	1944450989	JSDGACDDGQVREU-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1CCC(F)CC1	1944535006	OBTNJOPOOWMTLC-MOKVOYLWSA-N	242.378	4.546	0	10	BJAE	
C[C@H](C[C@H](N)C[C@H]1CCC[C@H]1C)CC(C)(C)C	1944820669	SHRGKGIICWKFLT-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCCC1(N)C[C@H]2CCCC[C@@H]2C1	1946292358	IEMGIJAQVIRRDF-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC(C)(C)CC(C)C	1947459721	JBDYBSABUZUZIL-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCC[C@@H]1C(C)C	1947470943	WHAXKLZGOCZMAV-CHWSQXEVSA-N	249.423	4.645	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(O)CCCCCCC1	1947544892	WQJXGZDMFJZYAG-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC[C@H](C)C1CCCCC1)NC	1948422612	IKEUJNXVGOZMIN-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCC[C@@H](CC)C1)NCC	1948426879	YAEULELHHUYXTK-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCCCCCC1CC1)CC(C)C	1948847488	LPQYHFRSAXMIIS-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)C(=O)[C@H]1CCC2(CCCC2)C1	1949498588	OOBJETIRGIOJCV-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC1CCC(C[C@@H]2CCC(C)(C)C(=O)C2)CC1	1949657076	XNMFHHXHIYDEMZ-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(CC(=O)c2ccc(C3CC3)s2)C1	1949732463	DFFYPPUXXODOCY-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CC1(C)CC(C[C@H](N)CCCCCC2CC2)C1	1949733707	LMYYPCGSQGIXQU-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](N[C@H]1CC[C@H](C(C)C)C1)c1ccccc1	1963312956	DPIVHGKIVRLKLC-YESZJQIVSA-N	245.410	4.552	0	10	BJAE	
C1=CCC2(CCCCC2)N(CCC2CCCC2)C1	1966511164	GKVCJUPYLSJQHD-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
C1CCCCN(C[C@@H]2CCCC3(CC3)C2)CCC1	1968644736	JKOPPYLMRQDNFW-MRXNPFEDSA-N	249.442	4.613	0	10	BJAE	
CCCC1CCC(CN2CCC23CCCC3)CC1	1969769568	KKJAAIMRNWECLX-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CC[C@H]3CCC[C@H]3C2)C1	1970678450	GPUWPTMTHABWNI-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@H](NC1CCC2(CCC2)CC1)C1CC1	1973043024	JITMTVNMUHGBSR-OAHLLOKOSA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCCc1ccccc1C1(C)CC1	1984611726	DGPLGORROCGBPF-ONEGZZNKSA-N	214.352	4.637	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CC(=O)CC(C)(C)C1	1986222319	BEODSDRFEPPUBB-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCCC(=O)C1(C(C)(C)C)CCC1	1989453954	VRNSFQGNADOWSP-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)N(C)CC(C)(C)C(C)C	1990124428	YOXXDFDPTKDTQX-AWEZNQCLSA-N	227.436	4.569	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H](C)C(C)(C)C	1990849054	LZBPWSRCQISZHI-AWEZNQCLSA-N	227.436	4.569	0	10	BJAE	
CCC[C@H](C)CN(C)CCCCCC(C)C	1990849612	STIXOHGSQAYYHP-HNNXBMFYSA-N	227.436	4.571	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H](C)CCC	1991759721	SBHVFXMAGJNGMQ-AWEZNQCLSA-N	225.420	4.610	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCCC(C)C	1995254301	QFHHQKQAOISSMR-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@H](C)CCC(C)C	1996547342	NSCOBYSMKPKIOC-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)C1CC(C)(C)C1	1998648240	CIXJSFARZGBJKI-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CC[C@](N)(C1CCCC1)[C@H]1CCCC(C)(C)C1	2000058630	OPXQRHIRUNNUGC-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)[C@@H]1CCCC(C)(C)C1	2000062538	MVKJZWNDMLXQKF-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC1(O)CCC2(CCCCC2)CC1	2000279702	IYCOUJRRAPZOEQ-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
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O=C(CCCCC1CC1)[C@H]1CCCCC12CCC2	2220016769	QZRDFUBXRDGQAR-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCCC[C@@H](CCC)Nc1ccnc(C(C)C)c1	2220885915	RFHKOTAGUOKWBS-CQSZACIVSA-N	248.414	4.976	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2220961866	OTIRYHHFJMMBJP-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)[C@@H]2CCCC(C)(C)C2)CC1	2221628067	WNAAYLWFVFQKOZ-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1	2221643075	LYQMTHLZNXJNHL-ANQUJSFKSA-N	248.410	4.764	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1C[C@@H]1C1CC1	2223110350	SANGISMBBKGBNY-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCCN1[C@H]2CCC[C@@H]1CC2	2223127460	VHLZGKVKXYBOAM-CALCHBBNSA-N	249.442	4.754	0	10	BJAE	
CC(C)CCC1(CNC2CCC2)CCC=CCC1	2223544561	CXUYBFBOKNCXTE-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1(C)CCCCC1	2244787421	CWCKIWVYGVQWAH-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@](C)(O)CC[C@H](C)CCCC(C)C	2244851734	MGUPXUJYBOVIPA-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
CC(C)(C)[C@@](C)(N)CC[C@H]1CCCCC12CC2	2246619713	GLQFHOLFJYMDIG-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](O)CCC2CCC2)C1	2246725398	HQBULJOIVFRPCT-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2=CCCCC2)CC1	2247455034	IEKVWYNLQXJGQL-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2=CCCCC2)CC1	2247461327	JBCQFYMJPYBYJH-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC1(C[C@@H](N)c2csc(C3CC3)c2)CC1	2248062726	DGOLFSHFCYAOCP-CYBMUJFWSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@@H](C)CC(C)(C)C)NC	2250353194	SCWZXAQRGCEQPT-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(C(=O)C[C@@]23CCCC[C@@H]2CC3)s1	2251157272	HCYOCTJZTILMDS-DOMZBBRYSA-N	248.391	4.600	0	10	BJAE	
Fc1ccc(CCCC2CC(=C3CC3)C2)cc1	2252639946	NUEMHFLIPYYYPX-UHFFFAOYSA-N	230.326	4.649	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@@H](C)C1)[C@H]1C=CCCC1	2253917501	IZPRXNNPVPUWJS-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](NCC[C@@H]2CCC[C@@H](C)C2)CCC1	2253964316	UPGSBIVWWICCTL-XOKHGSTOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCC1CC2(CCCC2)C1	2254073625	VVVPPWCGABDBDX-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC[C@H](N)C1CCC2(CC1)CC2	2254595184	SQZNWHZILAPUIE-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)Cc2cccc(CC3=CCCCC3)c2C1	2255117424	JEUNHDAGFAEGRC-UHFFFAOYSA-N	240.390	4.854	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cc(C2CC2)ccc1F	2259141950	GLCRBOZUXLEPSX-NSHDSACASA-N	249.373	4.940	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc2c(c1)CCCC2	2259439440	WDVNUOKWLAXOMC-CYBMUJFWSA-N	244.378	4.574	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@H]1CCCC1(C)C)C2	2259571550	HZNSTXUDVSMRFI-OPFKTAGGSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCNC[C@]12CCC[C@H]1CC2	2260532915	DOUCRLHSQCHWFI-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CCCC1(NC[C@@]23CCCC[C@H]2CC3)CCCC1	2260587292	MERIPSFIKGAMFJ-HOTGVXAUSA-N	249.442	4.659	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H]1CCNc2ccc(F)cc21	2261337525	GNYWWPZVJUJXPW-RYUDHWBXSA-N	247.357	4.551	0	10	BJAE	
Fc1ccc2c(c1)[C@@H](CCCC1CCC1)CCN2	2261338698	LWVZUSGBROKUSV-ZDUSSCGKSA-N	247.357	4.695	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)[C@@H](C)CC1CCC1	2298903906	DGWFZVPJLQLZNB-ZFWWWQNUSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H]([C@H](C)CC1CC1)C(CC)(CC)CC	2298927379	TXLZNJAPBLCQNO-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCC1)C[C@@H](O)CC1CCCCC1	2298940969	ZNOJFFCYAUWOFZ-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@]1(CNC(C)(C)C)C[C@@H]1C	2300703683	JCBYMWUGWLNZTH-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)NCC=C(C)CCCC(C)C	2300867387	LMDUWGAFAYGJNK-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CC=CC[C@@H]1CCCCCCC[C@@H]1NCCC	2300924427	SVHHJFDCNBVHQC-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCc1ccccc1OCC1CCCCCC1	2301148721	YBESCLRHAROGEI-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)NC(C)(C)C1CCCCC1	2301955254	ICKUQRBGNIZALT-ZIAGYGMSSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CCC[C@@H]1C[C@@H]1C	2302612971	LHVPNIIKKVULSU-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C2(C)CCCCC2)C1	2302754065	UXLFWCHLLZGGKO-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@]1(C[C@@H]2CCC(C)(C)C2)CCCN1	2302906014	SZKRWBMILRAZGU-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCc1cscc1NCC[C@H]1CC[C@H]1C1CC1	2303162969	XMORVNHXZUCCDP-KGLIPLIRSA-N	249.423	4.549	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cccc(C(C)C)c1	2303708681	QWOHMNCUKZKQIZ-STQMWFEESA-N	232.367	4.675	0	10	BJAE	
CCCCCC[C@H](O)CC[C@H]1CCC(C)(C)C1	2304351707	KGCUQIHWHCPVPW-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CCCC1CC(O)(CC[C@H]2CCC(C)(C)C2)C1	2304383637	HBTOBDBODDDWQV-VQCLRJIVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1(C2CC2)CCCC1	2307828647	LHNVLKPZXDNZBZ-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CC1(CNC(C)C)CC(C)C1	2307896969	YYRFJVWVGGTAKM-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CCCCc1ccc(N[C@@H]2C[C@@H]3CC[C@H]2C3)cc1	2308574365	MLOPDIVLFLUONH-HLLBOEOZSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@@]23CCC[C@@H]2C3)cc1	2310872928	XHLDPLHFTCRISS-UNEWFSDZSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313181464	RSIWQFHZFMJBOF-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)[C@@]12CCCC[C@@H]1CC2	2313291733	BMMCYNOFILZSRY-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@@]23CCC[C@@H]2CC3)CC1	2313317181	WWODNOLMNVWQFG-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)c1ccc(C2CC2)cc1	2313612645	OXXSYKYUPXGJDK-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
CCc1cc([C@@](O)(CC)C[C@H](C)CC)ccc1C	2314640970	BWDOXNIEZFEZKR-CXAGYDPISA-N	248.410	4.591	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)c1ccco1	2315888400	RRALDIBYIAPKAI-CYBMUJFWSA-N	243.350	4.885	0	10	BJAE	
N[C@H](CCC1CCC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316874569	LXLNTBSOEZEOHX-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(C2CCC2)CCCN1CC1CCCCCC1	2316878675	AQNBSNMTPYKVNQ-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)CCCC2(CC2)C1	2318558653	XOTIPQPYQVUKED-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)C[C@H]1CC1(C)C	2318589550	RKUDBLNOHATDCJ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)[C@H]2CC23CCCCC3)C1	2319121062	JMJYDVSGUQOJQX-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C23CCCC2CCC3)C1	2319135664	RYAALKYIDSWHPC-TUBUQKNSSA-N	248.410	4.742	0	10	BJAE	
O=C(CCC[C@H]1CC[C@@H]1C1CC1)CC1CCCC1	2319747366	FARYVXCSKYENIQ-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC[C@@H]1CC[C@H]1C1CC1)c1ccc(N)cc1	2319752583	YVDXYUPFWYYCGR-SUYBPPKGSA-N	243.394	4.589	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@@H](N)[C@@]1(C)CC=CCC1	2320244184	QNZNANAHAPWGEP-ANQUJSFKSA-N	249.442	4.523	0	10	BJAE	
CC(=C[C@@H]1CC[C@H]1C(C)(C)C)C1CCC(N)CC1	2320311231	MRSWEAMWFGNSRA-BHDPWAOGSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@H]2CCC[C@H](C)C2)CC1	2320335675	WTLJXFNTJFCTTN-IEAZIUSSSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@H](NC[C@@H]2CCC(C)=C(C)C2)[C@@H]1C	2320407359	ZVGMZHMHSPTMJW-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCCCCN(C)Cc1cccc(C(C)C)c1	2320648089	IGXSNDQUKNVFBL-UHFFFAOYSA-N	247.426	4.822	0	10	BJAE	
CC1(C)CC[C@@H](CCN(C2CCC2)C2CCC2)C1	2321639233	IXJIVHPTDUYWKQ-AWEZNQCLSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1CCC[C@@H](C2(CNC3CCC3)CCCC2)C1	2326708053	CZDJQGBRQRFALE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](C)NCCC2=CCCCC2)s1	20562862	UBJRJSSNIMCBEM-ZDUSSCGKSA-N	249.423	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1Nc1ccccc1Cl	21060174	SZDXEYCHMLSAIG-GHMZBOCLSA-N	237.774	4.577	0	10	BJAE	
O=C1C2(CCCCC2)CCCC12CCCCC2	32146382	PGUAFPBHSZZKDP-UHFFFAOYSA-N	234.383	4.640	0	10	BJAE	
CCCN[C@@H](c1c(C)cc(C)cc1C)[C@@H](C)CC	35582115	WGAMCQMQQFABKO-SUMWQHHRSA-N	247.426	4.699	0	10	BJAE	
CCCC(=O)c1ccc(-c2ccc(C)cc2)s1	36927381	XEIIOIWBZSJOOS-UHFFFAOYSA-N	244.359	4.706	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC[C@H](C)C1	71084792	AZQRMHBIRWSHRT-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
Clc1ccc(-c2nccc3ccccc23)cc1	79560039	HGJNRQMRLNGOJH-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
Cc1c(F)cccc1NC1CCC(C)(C)CC1	79653129	IQUPTDVFHXHOLT-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CN[C@@H](CC[C@H]1CCC[C@@H](C)C1)c1ccccc1	80423902	ASKRKQCLGCLWTE-INMHGKMJSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](C)c1ccccc1NCCC(C)C	83350160	XIPJVYZBCWOFTR-CYBMUJFWSA-N	219.372	4.658	0	10	BJAE	
CCC1CCC([C@H](O)c2cc(C)ccc2C)CC1	85077689	ONTOOXATGIJRDR-DQPZFDDXSA-N	246.394	4.553	0	10	BJAE	
CCCCCC[C@]1(O)CCCC[C@@H]1C(C)(C)C	87164194	UGDAGZHNUHOUGA-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC([C@@H](O)CC2CCCCC2)CC1	87934137	CNIVAURCDFNQGT-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](NCC)c1cc2c(C)cc(C)cc2o1	88073995	PHSXPALHPPWPQA-AWEZNQCLSA-N	245.366	4.500	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2CCC[C@H](C)C2)c1	89604465	TZSQRBDDJRBLQI-WFASDCNBSA-N	231.383	4.542	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2CCC[C@@H](C)C2)c1	89604469	TZSQRBDDJRBLQI-DOMZBBRYSA-N	231.383	4.542	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2ccc(N)s2)cc1	105877016	CWRLZJKSIAUEGB-SNVBAGLBSA-N	231.364	4.511	0	10	BJAE	
CC[C@@H](C)CC1(CNC(C)(C)C)CCCCC1	110200770	PZAGCVQXNYFLPH-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C)NCc1ccccc1CC	112933992	CWMFABXEFOLQRO-HNNXBMFYSA-N	247.426	4.698	0	10	BJAE	
CC[C@H](C)[C@@H](C)NC1CC(C)(C)CC(C)(C)C1	124778710	JGZRBVWGSDXYJR-QWHCGFSZSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@H](NCC)c1cccc(CCC)c1	131526715	PZNRZGXBPQVPHU-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CC(C)CCCCNc1nccc2sccc12	134318228	XPKCAEKKMHKZHG-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1ccccc1C(C)(C)C	162271303	LXTATOZYGVLCHT-CJNGLKHVSA-N	247.426	4.810	0	10	BJAE	
O=C(CC1CCCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	165136806	IRCPLWHLUZYEDF-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](NCC)c1cccc(C2CCC2)c1	169207696	LUQYPUKJGKLZMS-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCC[C@@H](C)[C@H]2C)c1	227002908	DVIYYVKFUUBYCY-FMKPAKJESA-N	231.383	4.540	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)C1(CC)CCCC1	228677298	VRRMKJLYPYBQBO-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](c1cccc(CC)c1)[C@H](C)CCC	228859727	LUTANWUYYLAKHJ-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](C)CC(=O)c1scc(C)c1Cl	233328576	QMTGBWIHEWHPEO-QMMMGPOBSA-N	244.787	4.719	0	10	BJAE	
Clc1cccc(N[C@@H]2C=CCCC2)c1Cl	236055638	ZLLZZNYEDGAQKD-SECBINFHSA-N	242.149	4.514	0	10	BJAE	
O=C(CCC1CCCC1)CC1CCCCCC1	304198664	YJJLLMRFWZTPPG-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(CCC2CCCC2)C1	305943401	LWBFKONTLNLCIH-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC1(c2cccc(Cl)c2Cl)CCCC1	307094570	FHGITMKYIMVJFH-UHFFFAOYSA-N	229.150	4.825	0	10	BJAE	
CCC1CCC(NCC(C)(C)C2=CCCC2)CC1	308752237	CEFROPIHLFHKJB-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@](C)(CC)C[C@H]1CCC[C@H](C)C1	310125111	IXXJKGLWUWHKGT-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCc1nc(-c2c(C)cc(C)cc2C)cs1	310226423	NQANIVBRVJOVSE-UHFFFAOYSA-N	245.391	4.688	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)c1cc(C)cc(C)c1	310576820	POMSWYKNHLXDJQ-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCCNC[C@]1(CC=C(C)C)CCCC[C@H]1C	318356942	XKHATGPSBDONOY-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NCC)[C@H](C)C(C)C	319495809	FLWXSEDHGNIMJT-OAGGEKHMSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](C)[C@@H](C)n1ccc2ccc(Cl)cc21	319650687	RKUFMPOUDOWXCY-GHMZBOCLSA-N	235.758	4.902	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC[C@H](C)C1	383211591	QADZLNTUIHPKDB-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CC(C)CNCC[C@H](C)CCC1=CCCCC1	385016656	ZALBBADXMJXWKR-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC/C=C/CN[C@@H]1CCCC[C@@H]1C1CCCCC1	385101661	ZUIMIKJVLLQDTA-UDFSNITHSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)cc(NC[C@H](C)C2CCCCC2)c1	386221819	OLUSNZJGADVZAB-HNNXBMFYSA-N	245.410	4.932	0	10	BJAE	
CC[C@@H](NCC1(CC)CCCC1)C1CCCC1	387394357	BLYSJHGHVKICMT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@@H]1C[C@H]1CC	387618557	PXIGAVBKOCEOPX-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Clc1cccc(-c2ccc3occc3c2)c1	390648070	MXMUXQNMOXVRBW-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
CCC(CC)(CC)CNC(C)(C)C(C)(C)C	395163121	VCGWQGSEKAEYFH-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCOc1cc2ccsc2c(CC)c1Cl	396185628	DWOQCVLSIGQDJF-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1cc2c(C(F)(F)F)c(C)ccc2s1	396198047	MTRMDLPMYGOHIB-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCc1cc2cc(C(F)(F)F)cc(F)c2s1	396289423	ADOINVCSLJBCQV-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
Cc1cc2c(C(F)(F)F)cc(S)cc2s1	396301854	LCZFXNZOIOQMSE-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCCC[C@@H](CCCC1CC1)NCCC	405816820	IVAXMXHJMXAGRO-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CCCC1CC1)CNC1CC1	405971996	VMIULUKBIRMKIR-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NCC)[C@H]1CCCCC[C@@H]1C(C)C	691102576	KVDYBGIDRGIHBC-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](C)(NCCC1CCCCCC1)C1CC1	691504059	GESPOTPFHUMLQM-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@]1(CC2CC=CC2)CCC[C@H](C)C1	692159310	YLRNUQPIOOZOJN-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC(C)(CC(=O)C1(C)CCCCC1)CC(F)F	694657271	PYZJKHLCRWREJX-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@H]1C1CC1)C1CCCC1	696060646	MMZDDLODBFWPJT-YESZJQIVSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](CC(C)(C)CC)NCC	696165072	WGPUWIXAIKKDQN-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)c1cc(C)cc(C)c1	696594783	RNRSSJBBBQFUHK-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCC(C)(C)CC)C1	696806879	OVJITTKXEWVTMI-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCCC23CCC3)CC1	697565789	BKNDEELXONHHRQ-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)[C@H]1CCCCC[C@@H]1CNC(C)C	701150074	WUCKQHOGDQLHTM-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@H]1C[C@@H]1CC	701453575	AFOAFEYBDCSHEU-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CCCC[C@H]1C(C)C	707542734	AVZZZQYFULAPEH-JYJNAYRXSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)C[C@H](C)CC(C)(C)C	709070208	BKWSNCFIWHVPPC-WFASDCNBSA-N	248.410	4.799	0	10	BJAE	
CC[C@H](C[C@H](O)CCCC1CCC1)C(C)(C)C	711050147	HANGDRQYPDUAKK-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC)CCCC(C)(C)C(C)C	713176325	WIXMROXUNNYGKL-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](CC(C)(C)CC)C1	713264168	MLFPRBBZOYEQLG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1(CC(C)(C)C)CC[C@@H](CC)C1	713316552	SPRTXBZATOPAQV-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CN1Cc2ccccc2[C@H]1C)CC(C)(C)C	1473669589	QTXZMBLXCAZOJY-ZIAGYGMSSA-N	245.410	4.636	0	10	BJAE	
CN(CCC1CCCCC1)C1CCCCCC1	1474406512	GFCVFDDJPRZKQE-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC1(CC)CCCN1C[C@@H](C)CC(C)(C)C	1655508585	JDCFMMQLWGFMIV-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCC1CCC(NCC2CCC=CCC2)CC1	1657020424	NPUVJIAFHDMDAR-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(C)(C)C)NC[C@H]1CCC=CCCC1	1665879647	FMHNXSPPBDUDBR-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCCC(C)(C)CNCC=C(C)CC	1900828097	WWXJRZNQIHECLB-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CC=C(C)CC	1900844154	ZXCQPQUUUSQQTG-GJZGRUSLSA-N	225.420	4.523	0	10	BJAE	
CCC(CC)c1ccc2cc(Cl)ccc2n1	1901880605	AQBJTIGSAGMCQV-UHFFFAOYSA-N	233.742	4.792	0	10	BJAE	
CCc1coc2c(Cl)c3ccccc3cc12	1905230617	PNKZVNVZVHDNAM-UHFFFAOYSA-N	230.694	4.802	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H](C)CC(C)(C)C	1905441676	AJMQJBITDDQBFK-MELADBBJSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCCC[C@H]1C	1905451948	WNLHGTVSIOHXNE-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@@H]1C[C@H]1CC	1906237997	OHJGETKJIRVPJC-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1ccccc1SCC	1910731104	HEZOKCLNFPSGAW-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CC=C[C@H](C)Cc1ccc(C(C)(C)C)cc1	1911844901	APMXRGGJOCDWKG-ZDUSSCGKSA-N	216.368	4.739	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1CC2(CCCC2)C1	1912648202	MXJBRJQTWAXLHI-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@]1(CNC(C)(C)C)C=CCC1	1916375893	DJNAWPVJTRKLKD-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1CCCC(F)(F)C1	1919538939	QMKWQVWWGWQUSZ-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H](O)C1CCCCCCC1	1921537442	XKSYNGWBTKSHEX-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@H]2C=CCCCC2)C1	1925763979	UGEMICPUNUVMHW-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@H]1C=CCCCC1	1925910451	OGGQEBYCKFNPSS-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC(=O)CCC(C)(C)C1CC1	1926159769	OUOBIIJACHNRGN-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)C[C@H](C)C(C)(C)C	1940255084	DHONLUHHWYQYNP-BBRMVZONSA-N	241.463	4.704	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)CCC1(C)CC1	1940792005	HUEYYJIFRFYIBJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)C1CCCCCC1	1940882277	IXGAJWXORKCAMG-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC(=C(C)c2ccc(N)cc2)C1	1940969209	XTVBSEULBUGTGZ-ZDUSSCGKSA-N	229.367	4.643	0	10	BJAE	
Cc1cc(SCC2CCCCC2)c(C)cc1N	1941745866	QEFVUSUUZVWFRX-UHFFFAOYSA-N	249.423	4.558	0	10	BJAE	
CC(C)=CCCC(=O)[C@]12CCCC[C@@H]1CCC2	1944237017	UPJLQERJSZJZIK-ZBFHGGJFSA-N	234.383	4.662	0	10	BJAE	
CC(C)(C)C(CN)=C1CCC(C(C)(C)C)CC1	1944403042	MGYBYOLJUTWYEI-UHFFFAOYSA-N	237.431	4.524	0	10	BJAE	
C[C@@H](C[C@H](O)C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944835884	GGFXWBAUMZRBOH-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCC[C@H]1C)CC(C)C	1944842136	HPTXXAXNZCASBK-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccccc1SC	1947466425	YHTBDQSRNQVDQP-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)C1CC(C)(CC)C1	1948405311	LCHXXZBCSDDDNR-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@](CO)(CC2CCCCC2)CC1	1950909492	XSESRWDELPLHSR-GDBMZVCRSA-N	238.415	4.536	0	10	BJAE	
C[C@H](CN1CC[C@@H]1CC(C)(C)C)CC(C)(C)C	1966541030	ULUJEUFELSDKKY-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
C[C@@]12CCC[C@H]1N(CCC1=CCCCC1)CCC2	1966618765	YDFCMWODZZDCQE-SJORKVTESA-N	247.426	4.532	0	10	BJAE	
CC1(C)CCC[C@@H]1CN[C@H]1CCCCC12CCC2	1967702723	HLLRNHSNPKLSQC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)(CN[C@@H]1CCCCC12CCC2)C1CCC1	1967779963	CLDDRQDGLKICBW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NCC2CC3(C2)CC(C)(C)C3)c1	1968252957	WJVPOOKZWJYDMZ-UHFFFAOYSA-N	243.394	4.623	0	10	BJAE	
C[C@H](CNc1ccccc1C1CC1)C(C)(C)C	1969417114	TYBQHERHADUKBM-GFCCVEGCSA-N	231.383	4.658	0	10	BJAE	
CCCCC1CC(Nc2ccc(CC)c(C)c2)C1	1972019033	ACKOPJDAPLLVFK-UHFFFAOYSA-N	245.410	4.938	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@@H]2C(C)C)cc1C	1972020638	IATZFCAEUQVOPU-SJORKVTESA-N	245.410	4.794	0	10	BJAE	
CCc1ccc(NC[C@@H]2CCC(C)(C)C2)cc1C	1972023629	TZVCBSIOLDYGCD-CQSZACIVSA-N	245.410	4.796	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1cccc2ccsc12	1977422747	QLAYLUYDPOGANK-CMPLNLGQSA-N	231.364	4.502	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCCCCCC[C@@H]1N	1980351370	NODMUVNOXMNWIP-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](O)C1(C)CCCCCCC1	1981416789	SRFSQQZOCRJDFP-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@H](C)CC(=O)CC1CCCCCC1	1988300846	SPMPGPSNUJLJOS-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(C)Cc1csc([C@H]2CCC(C)(C)C2)n1	1995448279	ITTYEIPYHHPLGV-NSHDSACASA-N	237.412	4.635	0	10	BJAE	
CC[C@@H](C)Cc1nc(C2CCCCC2)cs1	1995495695	AOXXJWYDZDFFOQ-LLVKDONJSA-N	237.412	4.779	0	10	BJAE	
CCN[C@H](CC)[C@@H](CC)C1CCC(C)(C)CC1	1996595986	ZWJRSFDZFCHKGG-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@]2(C)CC=CCC2)C1	1997606848	PDGBMKRABPEHCM-IJEWVQPXSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@@H]1CCC=CCCC1	1999999285	QWFOIWYRJQOBMN-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](CC[C@H]1CCC=CCCC1)C(C)(C)C	1999999375	ROMHLPZJGMECAI-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CC2CCCCC2)C1	2000038790	RTMODYMMRGSCCV-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C(C)(CC)CC)C1(C(C)C)CCC1	2000376815	QGQKHCZXKAPDDA-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)NC1[C@H]2CCCCC[C@H]12	2002168423	HCDAVTDVQDBDCC-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@H]1CC(CC)CC	2003102562	YHNHFDRELPNKCV-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCC2(CC2)C1)NCCC	2003217600	LCUFLNPSPPVSOP-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)C1(C)CCC(C)CC1	2007697308	OTZRTNFXELXVDC-LVDPKSTMSA-N	240.431	4.636	0	10	BJAE	
CC[C@](N)(C=C1CCCC1)CC1CCCCC1	2007971529	NFHVYASNABBWEN-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC=CCCCNc1cccc2ccccc12	2009591602	JWWSRAVDUISBNL-UHFFFAOYSA-N	225.335	4.608	0	10	BJAE	
CCN[C@H](CCCC(C)C)C1=CC[C@@H](C)CC1	2010628164	ZEYXDLRICJCMTD-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]1C[C@H](CCC(C)C)CC(C)(C)C1	2012042391	UFQNMGKIWCWRHC-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](C[C@@H](C)CC(C)(C)C)(C(=O)O)C(C)C	2012438986	BURVGELZBJYVHX-WFASDCNBSA-N	242.403	4.586	0	10	BJAE	
CC[C@](O)(CCC(C)C)C1CC(C(C)(C)C)C1	2013266548	HWVMZJPDWOBTQY-XUJLQICISA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)[C@@H]1CCC1(C)C	2014941184	CHQIHGUVOQEPTG-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)C(C)(C)C1CCCCC1	2015272948	RNAKGNXIPGYBGE-HIFRSBDPSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)[C@H](CC(C(C)C)C(C)C)NC	2015275336	PETLNCZQAHCZDA-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@@H]2C[C@H](CC)CC[C@@H]2O)CCC1	2015632178	JPKSPRCINOVYGL-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](NC)C2(CCC)CC2)CCC1	2015649402	ZCMKANDQFCMPPH-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC1([C@H](O)CCCCCC2CC2)CC1	2015749030	KRUCDNRLWFHKMZ-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C1(CNC2CCCCCC2)CCC1	2017139090	RBVNUYWGYTZPOT-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H]1CCC[C@H](C)CC1	2017474338	CIQATLYXIOBPPR-CWRNSKLLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(O)C(C)(C)C)CC1	2017651843	YZISKJLVPAUOSY-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CCC2CCC2)CC1	2017662679	LFWYVEUMFYHYQB-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CC12CCC(CC1)CC2	2017798362	NQNMOKXTTAVSQU-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1C[C@@H]2CC[C@@H]2C1	2018129323	BRBZXCAJIZPNCY-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@]2(N)CCCC[C@@H]2C(C)C)CC1	2018974262	KPKMSGBMEMENPR-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CN(CCC1=CCCCC1)C1CCCCCC1	2019341223	XRCGQWXNPOXCKR-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CC[C@@H](C)CN(CC(C)C)C1CCCCCC1	2020500548	DJYQTGALTIQFRA-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccccc1C1CCC1	2021027058	NUBWKKZZUPEPAF-QWHCGFSZSA-N	231.383	4.801	0	10	BJAE	
Cc1cccc(CC[C@H]2C=CCCCC2)c1C	2024070617	NTKBZGIZGOBMPY-INIZCTEOSA-N	228.379	4.982	0	10	BJAE	
CC(C)(CN)CCC1CC(C)(C)CC(C)(C)C1	2024103021	YBNNPAFTZSGIFT-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CCC1CC(CC(=O)CCCCC(C)(F)F)C1	2025432856	NKYSNVDCOFVQBB-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C[C@H]1C=CCC1)NC	2026173135	ZEIDILVXQXHKKD-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
C=CC=CCCc1ccc(C)c(C(F)(F)F)c1	2026349039	DOKZUCFRSLTLIY-UHFFFAOYSA-N	240.268	4.689	0	10	BJAE	
CC[C@@H](C)Cc1coc2c3c(ccc12)CCC3	2026536625	VRDHZBKMXSPPCB-LLVKDONJSA-N	228.335	4.510	0	10	BJAE	
c1sc([C@@H]2CC[C@@H]3C[C@@H]32)nc1C1CCCCC1	2026605094	MAUUAGDVFVDYER-UPJWGTAASA-N	247.407	4.704	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]21	2028788012	WUKLSALFWKKTFO-OWCLPIDISA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](C=C(C)C)c1ccccc1C1CCC1	2029074346	JTUGTNNHFYAFRF-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC2(C3CCCCC3)CC2)C1	2029739347	AABYSPOIFBSWGU-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](c1cccc(C2CC2)c1)C(C)(C)C(C)C	2032340152	XCOIEEOFVAVQSC-INIZCTEOSA-N	245.410	4.507	0	10	BJAE	
N[C@@]1(CCCCCC2CC2)C[C@@H]2CCCC[C@@H]2C1	2034139440	FAXSOHPZBYMNSU-BJWYYQGGSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C[C@@]1(N)CC[C@H]2CC[C@H]1C2)C1CCCCC1	2035043176	HPUHJAFVXLOYRP-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
Fc1cccc2c3c([nH]c12)C[C@@H]1CCCCC[C@H]31	2035859799	CYNGERJSTXVIAO-QWRGUYRKSA-N	243.325	4.527	0	10	BJAE	
C1=C[C@H](N[C@@H]2CCCCC23CCC3)CCCCC1	2035861407	GZZUXIDLMVJMKB-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@H]1CC12CCCC2	2036094393	MCTXBWCUPYXWDO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1CC2(CC2)C1)C1CCCCCCC1	2036757975	ZKAQTMUSSRNRFT-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)C[C@@H]1CC=CCC1	2037160733	NJENDGJSZRJREJ-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)C[C@H](C)CCC1=C(C)C	2037172575	WGYFPVMQLLCADM-RHSMWYFYSA-N	249.442	4.977	0	10	BJAE	
CCN[C@@H](CC1CC(C)(C)C1)C[C@H]1CC=CCC1	2037976064	FZUJNTPSGLCSGT-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CC[C@@H]2CCCC[C@]23CCNC3)CC1	2038643266	AROZUSOYBICVOB-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@@H](N)CCC1=CCCCC1	2039431457	DPRFUWDAKPMOFZ-PVAVHDDUSA-N	247.426	4.587	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@]2(N)CCCC3(CCC3)C2)C[C@H]1C	2041290715	SUWBMVANCURXSB-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@H](NC)[C@H]1CCC[C@@H](CC)CC1	2041378669	FRGRXIQLOSBLNR-IKGGRYGDSA-N	249.442	4.703	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@H]1C=CCCCC1	2041833695	JAMDFEFINWKJIH-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@]1(C)CC=CCC1	2042025942	ZNPIEBNKMINPSO-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)CC1=CCCCC1	2043193182	XFVAZYISZMNYIV-OIISXLGYSA-N	249.442	4.824	0	10	BJAE	
CN[C@@H](C)c1ccc(C)c(C2=CCCCCC2)c1	2043821610	RQKRDQNEKZQGKK-AWEZNQCLSA-N	243.394	4.623	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@@H]1CCC=CCCC1	2045322400	DZIPCWAZQOQWIT-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccccc1C1CC1	2045607489	RZQHBJIFRAZBAN-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC(C)[C@H](C(=O)CCC(C)(C)C)c1ccccc1	2045673376	GPNKARHLUOKWKD-INIZCTEOSA-N	246.394	4.822	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@H]1CCC2(CC2)C1	2049848386	IRJNIYSIEWHZDM-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)CC1CCC2(CC1)CC2	2049934197	UVWPKURDDVCGND-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCCCC1)C[C@H]1CCCC2(CC2)C1	2049949992	DFLFGQAIPMPQRM-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
Cc1cccc([C@H](O)C[C@H]2CCCC(C)(C)C2)c1	2050431776	SNEPJXVIFIPDKA-GDBMZVCRSA-N	246.394	4.635	0	10	BJAE	
C=CC=CCCC[C@H](NCC)c1ccc(C)cc1	2050439316	ARRRJYRTLOMAFG-KRWDZBQOSA-N	243.394	4.558	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC(=O)c2ccccc2F)C1	2050495388	SZTZZBFBBVUAEH-CHWSQXEVSA-N	248.341	4.615	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H]1CCCC2(CC2)C1	2051401299	MYJQJQZRUCEBFQ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1ccc(C2CC2)cn1	2052658853	UATWRNIIZCLPCP-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
CC1=C(C)[C@](O)(c2ccccc2C(C)C)CCC1	2055591750	KUPJQZMBMRSRGP-KRWDZBQOSA-N	244.378	4.518	0	10	BJAE	
CC1=C[C@@H](N[C@H](C)C2CCC(C(C)C)CC2)CC1	2055851601	MNVGFBXYRWHFDI-VXLLPVPCSA-N	249.442	4.536	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)C1(C)CCC(C)CC1	2056560143	YZSGRJMRINXLHY-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
CNCC1(CCC2CCCC2)CCC2(CC2)CC1	2056562389	LCMXITLPZVRHEF-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2059002810	IITBKQNWZARMRY-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@@H](NCCC)c1ccccc1C	2059226382	YUSMEMIJGAGLKJ-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
C/C=C/CCC[C@]1(CNCC)CCCCC12CC2	2059258743	JENGRQJNTNZCOL-NJELEJDNSA-N	249.442	4.683	0	10	BJAE	
CCCCCC1CC(NCC2(C3CC3)CCC2)C1	2059393078	AEWWAPSUQFKHAF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC(C)(C)C1CC1)C1=CC[C@@H](C)CC1	2060930484	SQDVFWXEWOQGGF-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1(C)CC1)C1=CC[C@@H](C(C)(C)C)CC1	2061100545	XMMLRWVRMNYMKM-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@](C)(N)C2CCCCC2)CC1	2061116339	PFHVBZVRFWMBKW-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@](C)(N)C2(C)CCCCC2)CC1	2061122696	RGRWZDOKMCBJMP-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C1=CCC(C)(C)CC1	2061139549	GOCGNYRZTOLHGL-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2061561078	NUEJQCZBKWWRNO-HZMVEIRTSA-N	249.442	4.548	0	10	BJAE	
N[C@@H](CC[C@@]12CCC[C@@H]1C2)C1CCCCCCC1	2061601991	KZZIFGYPOQIBNJ-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)C1CCC2(CC1)CC2	2062826560	XIDFHZJMAIWRGQ-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
CC(=CCCNC(C)C)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063492056	WJWMTVNXAMKAEG-OSYLJGHBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2C[C@@H](N)CC3(CCC3)C2)C1	2063643935	XLIGBDKRVKWEAW-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@H]1C1CC1)C1(C)CCCC1	2067510695	XAAHGIJLMNKMTP-CWRNSKLLSA-N	249.442	4.514	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068710738	MUZZPLBDQREKAN-FZKCQIBNSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@H](C)CC1(CNC2CC2)CCC=CCC1	2069019484	PHEGFZDYAMNRNG-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@@H]1CC12CCC2	2069191845	BGHURPKMSMITBF-ZDUSSCGKSA-N	243.394	4.586	0	10	BJAE	
CCC1(CN2CCCC3(CCCCC3)C2)CCC1	2069329592	XZXJGPPIBHHMGG-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)C1(CC(C)C)CC1	2069514636	TXJVMYSIXLCTDS-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC2(CC3CCC3)CC2)C1	2069586361	BSHXKLGZGNZRQJ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C[C@]12CCC[C@H]1C2	2070860022	AGPUMSGDHFGQQU-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C[C@]23CCC[C@H]2C3)CC1	2070926320	MFLBZINIWWXHGL-USXIJHARSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC[C@@H]2C2CCC2)c1	2071786028	LHIUQDAXFQDAKE-SJORKVTESA-N	243.394	4.801	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)C1(C(C)(C)C)CCC1	2071927972	GKYFONFYUCEJRE-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@H]1C)C1=CCC(C)(C)CC1	2072091939	AJWCDUNKASOJTA-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@H]2CCCC23CCCC3)CC1	2072668475	BKAQTLYYDYYGFY-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C2CC3(CCC3)C2)CC1	2072696816	PCHGINBEGGPBAL-HDJSIYSDSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2CC=CCC2)CC1	2072877092	FRKCHOLONWVSFJ-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CCCC1(C[C@H](O)c2ccc(C3CC3)cc2)CC1	2074618877	KHUJBMGGEDUCJT-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
C[C@H](c1ccccc1)N1CCC12CCCCCC2	2074784733	LKGDUYDROAOKBX-OAHLLOKOSA-N	243.394	4.546	0	10	BJAE	
CCc1ccc(N(C)[C@H]2C=CCCCCC2)cc1	2074794627	LVBDCELLICBRTD-INIZCTEOSA-N	243.394	4.574	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2C=CCCCC2)cc1	2075362695	LIJBCFJAPSAICE-HNNXBMFYSA-N	243.394	4.895	0	10	BJAE	
CCCN[C@@H]1[C@@H](C=C2CCCC2)CCCC1(C)C	2076403441	YJPFCZOCKKEMJS-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@@H]2C2CCC2)C1	2079330410	YHWJPQFNYPXALP-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2C[C@@H]2C2CCCC2)CC1	2079659901	JHYDVNOHCUGVBN-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1CCC[C@H](C[C@@H]2C[C@H]2C2CCCCCC2)C1	2079705937	KFOFAUYCGVWONI-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCC1)CCC1CCCCC1	2080256153	MOERPIPBGZEUAW-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
OC1(C2=C[C@H]3CC[C@H]2C3)CCCCCCCCC1	2081678184	LLOJOJSFUCRNPT-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C=C[C@@H]2CCCCN2)CC(C)(C)C1	2082991991	WABBZOWBLNWGCH-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)c1scc(C)c1C	2213674198	CATJVIAFRCLAEU-MFKMUULPSA-N	248.391	4.540	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1(C)CC2(CCC2)C1	2215390676	ZLICIRXXRUTSBM-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CO)CC=C(C)CC1	2215832275	GLWANSHZKWHDJP-HZPDHXFCSA-N	238.415	4.702	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)C1(C)CC=CC1	2218721579	SRVNSEMWQWGBBS-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@@]1(C)CC=C(C)CC1	2221626733	SZZTZVZFXARZRI-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCNC[C@@]1([C@@H]2CCC(C)(C)C2)CC=C(C)CC1	2221668211	OEAAIGUMBFWXKJ-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
c1ccc(OC[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1	2222917901	MMMDMEICVUNWIQ-OAGGEKHMSA-N	244.378	4.672	0	10	BJAE	
C(CCCC1CC1)CCCN1C[C@H]2CCC[C@H]1C2	2223105580	LRYGXGVOCSIFAB-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
Nc1ccccc1CCCCCCCCC1CC1	2223160763	QQDFAPZTMKWIDL-UHFFFAOYSA-N	245.410	4.952	0	10	BJAE	
O=C(CC1CCCCC1)c1cccc2ccoc12	2224196461	RIJUVJXSSLPUQN-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCCC(O)(CCC)CCCC[C@@H]1C[C@H]1C	2243038217	CPXXPADHMYGPBR-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cscc1C(F)F	2244806091	QZMCGEAYBKIRTD-KWQFWETISA-N	247.354	4.512	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H]1CCCCC12CC2	2246600591	BCSFVYVCQOENAN-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H](CCCCC(=O)C(C)(C)C)C1	2246663848	NJHZLIROPWURAY-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@H]1CCC1(C)C)CC(C)(C)C	2247444510	BFLFSJUJERAOEA-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
Clc1ccc2ccn(CC3=CCCCC3)c2c1	2247513556	JYKADDQBBLLNKK-UHFFFAOYSA-N	245.753	4.795	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CC1=CCCCC1	2247518063	MBRBSARREVCZER-MRXNPFEDSA-N	237.431	4.633	0	10	BJAE	
Cc1sccc1C(=O)CC[C@H]1CCCC12CC2	2247639614	PAMKCWQZOYPWDR-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CCCCC(C)(C)NCC[C@H]1CCCC12CC2	2247664461	GZPQZWBPXMVVEK-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C1(C)CC=CC1	2248812479	AFVFWROAXVVORZ-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1CCC(C)CC1)NC	2250354670	FRNBGVXKDSDYET-FJBKBRRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C1=CC[C@H](C(C)C)CC1	2250387674	QWYYXICGFVWGRH-IJEWVQPXSA-N	237.431	4.523	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CCC1CC(C)C1	2251750904	MKEFALDJJOGMGR-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)C1)[C@H]1C=CCCC1	2253792225	XPEAOGMDRZUECV-VUROTCPHSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(N)(CC[C@H]2CCCCC23CC3)C1	2253814745	DSFYIQQNXJLCAK-HPUBIQBYSA-N	249.442	4.645	0	10	BJAE	
CCC1([C@@H](N)CC[C@H]2CCCCC23CC3)CCC1	2253856516	QZRMCMLKIBMHNH-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](N)CC[C@@H]1CCCCC12CC2	2253883886	NPAAZMUTTFMFBE-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)CCCCC[C@@H]2C[C@@H]2C)c1	2254516398	JURPGWIJSLNBSA-LSDHHAIUSA-N	244.378	4.784	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C1CCC2(CC1)CC2	2254607300	SQZNWHZILAPUIE-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](C)(NC[C@H]2CCC23CCC3)C1	2254968964	PDUYTNRVOIETJM-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1CN[C@H]1CCCC2(CCCC2)C1	2254982101	WTJNJYUIBMPZFK-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1CC1(N)CC(C2CCCCC2)C1	2255012676	JMELAEJSSNXSFJ-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CCCC1CC([C@@H](CC2=CCCCC2)NCC)C1	2255062214	GNDCDHVBETXGSD-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)CC2=CCCCC2)CC1	2255096155	JDINXFHEAXAVTH-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC(=CCCCC[C@H]1C[C@H]1C)[C@H]1CC[C@H](N)CC1	2257238512	BIZWORWXMHWRIX-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CC(C)C(C)(C)COc1cccc2c1CCCC2	2257461856	CTXHDFIYENCGJE-UHFFFAOYSA-N	246.394	4.626	0	10	BJAE	
CCCC[C@@H](C=C1[C@H]2CCC[C@H]1CC(N)C2)CC	2257998464	QMJKVLKHBXMRFH-HEHBBPHXSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](CC)CNCC[C@@H](C)c1ccccc1	2259464711	RXZYSTHFMGLMLZ-HZPDHXFCSA-N	247.426	4.596	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@H]1CCCC[C@H]1C)C2	2259575715	AGWVKAJDWMCWNS-LBFCRXEYSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(NC[C@@]23CCC[C@@H]2CC3)cc(C)c1C	2260622724	MVXSPPOKAFSEGZ-WBVHZDCISA-N	243.394	4.604	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](CC2CC3(CC3)C2)C1=O	2261446308	XMLCVFYIHCUUQM-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CC[C@@](C)(C(=O)C[C@@H](C)CC(C)(C)C)C(F)F	2299830133	BBSDXSZQALOGNM-YGRLFVJLSA-N	248.357	4.699	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1C=CCCC1	2300457208	ALTLPABFCGDPII-OAHLLOKOSA-N	229.367	4.639	0	10	BJAE	
CCC(CC)CC[C@H](N)C1CCC(C)(C)CC1	2300682540	ZRGOIMJSFSVCTE-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCCNC[C@@H](CCC(CC)CC)C(C)(C)C	2300699061	DDGUXZRYBTZBMK-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@@H]1CCC1(C)C	2300704487	RSKVXDWCGPHQMX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CNc1cc(F)ccc1C(F)F	2300831554	XOASBHWHGPORQT-UHFFFAOYSA-N	245.288	4.611	0	10	BJAE	
CCC(C)=CC[C@H]1CCC(C)(C)CC[C@H]1NC	2300900201	VUKFULOVWRZIFJ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CCC[C@H](CC)CC1	2300907555	UMJWJETXRNGTOY-GJZGRUSLSA-N	236.399	4.908	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@](C)(N)CC1CCCCC1	2301845146	WEVGNYZPFDXFCZ-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CC1(C)C[C@@H]1c1csc(CC2CCCCC2)n1	2302261732	FDKPQMHKXHISET-GFCCVEGCSA-N	249.423	4.779	0	10	BJAE	
CC1(C)C[C@H]1c1csc([C@@H]2CCC23CCC3)n1	2302269910	XSCZKIJZWDMVMR-QWRGUYRKSA-N	247.407	4.704	0	10	BJAE	
C1=C(CCCC[C@@H]2C[C@H]3CC[C@H]2O3)CCCC1	2302341930	BLPFAPNXXCFRAP-BZUAXINKSA-N	234.383	4.615	0	10	BJAE	
Cc1ccsc1C(=O)CCCC1=CCCCC1	2302354877	XCFXGAPSXVXCTH-UHFFFAOYSA-N	248.391	4.910	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)CCCCC1CC1	2302569338	JOUPLGNYVBJXFK-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CC1CCCCC1	2303397227	RTQSYFJWJYFKLM-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)c1nc([C@]23CCC[C@@H]2C3)cs1	2307699567	DAWFHPAKOVNNNV-ZOWXZIJZSA-N	249.423	4.878	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309184514	HREUWFKYLOQGOX-HJWJTTGWSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](N)(CC[C@@]12CCC[C@@H]1C2)[C@H]1CC1(C)C	2310383978	ZINXORGYTMCECH-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H]2[C@H]3CCC[C@H]32)CC1	2311021531	STFNQHVWHFQTDX-KATPRTFMSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H]1c2ccccc2NC[C@@H]1C	2311573183	DFUQSPXNXKKLJJ-KNCOVGOOSA-N	243.394	4.658	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)[C@@]12CCCC[C@@H]1CC2	2313291731	BMMCYNOFILZSRY-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)C[C@]12CCCC[C@H]1CC2	2313323509	DAZNQFRPKFZSIP-JYYAWHABSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCCN1[C@@H]1CCC2(CCCC2)C1	2313619710	SIFILVCLJGIXLP-OAHLLOKOSA-N	249.442	4.754	0	10	BJAE	
CCC(CC)CC[C@H](N)C1CC2(C1)CC21CCC1	2316248391	ORKPZEHZKHLSIQ-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1CC(C2CCC2)C1	2316504662	XHQZLCJIYJIJOL-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@H](N)[C@H]1CC[C@@H]2C[C@H]12)CCCC(C)C	2316571619	VDVUQCQJOWZPKP-QZWWFDLISA-N	249.442	4.523	0	10	BJAE	
CCC1CC(CNc2cc(F)ccc2C(C)C)C1	2317921760	BKJMMZCBAKIHPL-UHFFFAOYSA-N	249.373	4.797	0	10	BJAE	
CC[C@](C)(CCCC1=CCCCC1)CNC1CC1	2318587107	QARUUTYPKZBDPL-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](CCCC1=CCCCC1)[C@@H]1C[C@@H]1C	2318587657	BNHQHIOAYVBVLJ-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCCC1CC1)CC1CC(=C2CCC2)C1	2318875146	GJYQVTHGJWNELL-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCC[C@H]1CCCN(C[C@@H]2CCC(C)=C(C)C2)C1	2320333544	HVTIDHVRFURUBU-DLBZAZTESA-N	249.442	4.635	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C2(C3CCC3)CC2)C1	2321638466	APZZQICTVCQPCE-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
Clc1ccc2[nH]c(C3CCCCC3)cc2c1	1518068	IDZUGEWEAFMDNC-UHFFFAOYSA-N	233.742	4.869	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCC[C@@H]1C)c1ccccc1	20002383	YLCKYIRNZPVGIT-BHYGNILZSA-N	245.410	4.696	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(C)cc1C	20560290	DBKQWPOGHVWGCP-CQSZACIVSA-N	219.372	4.684	0	10	BJAE	
CCC(=O)c1ccc(-c2cccc(Cl)c2)cc1	26544114	JOCWTUMVDNOYSW-UHFFFAOYSA-N	244.721	4.600	0	10	BJAE	
Cc1ccc2c(c1)[nH]c(=S)n2[C@H](C)CC(C)C	36898436	IFOLXIPTFSPWMZ-LLVKDONJSA-N	248.395	4.614	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1ccc2ccccc2c1	36951907	GNNWTUYQXBWBCZ-CXAGYDPISA-N	239.362	4.830	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(Cl)cc1F	37056226	AWTGOUXFRONUNE-JTQLQIEISA-N	243.753	4.860	0	10	BJAE	
CCCN[C@H](c1sccc1C)[C@@H](C)CCC	42730280	LISQZEYJMRNTFS-AAEUAGOBSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@@H](c1ccc(C)s1)C(C)(C)CC	54402855	GWGBOVOCJDOPJI-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H](c2ccccc2)C(C)(C)C)C1	80434147	OCCUONZXDWQSHM-KBMXLJTQSA-N	245.410	4.552	0	10	BJAE	
CCC1CCC([C@]2(O)CCCC[C@@H]2CC)CC1	85078103	AJKJFDSIRBULQQ-GRAKBVBRSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@@]2(N)CCC[C@H](C3CC3)C2)CC1	85078618	AGURWXBWFOEXLE-LRSKPHEKSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(OC2C[C@@H](C)C[C@@H](C)C2)c(C)c1	85155077	IJROBBRARQMUJT-NNQSOWQGSA-N	232.367	4.507	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CCC(C)(C)C)CC1	86941273	ZLIVONMQBYIJOL-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(OCCC(C)(C)C)c(C(C)C)cc1N	87465252	DINNDIHRLCINJO-UHFFFAOYSA-N	249.398	4.516	0	10	BJAE	
CC(C)c1cccc2cc([C@H](N)C(C)(C)C)oc12	88076616	LYNYLNCSQMDILQ-HNNXBMFYSA-N	245.366	4.602	0	10	BJAE	
CCCCC[C@@H](CNCCC)c1ccccc1C	93106821	YIJFPMXMISLSHX-INIZCTEOSA-N	247.426	4.659	0	10	BJAE	
CCCCC1CCC(CO)(C[C@H](C)CC)CC1	97148738	JORHKXGHZWQUBH-QQFBHYJXSA-N	240.431	4.782	0	10	BJAE	
CCCCCC[C@H](NCC)c1cc(C)ccc1C	97468415	YKBPPDHOHVYVQS-KRWDZBQOSA-N	247.426	4.924	0	10	BJAE	
C/C=C\[C@@H](C)Cc1cccc(Cl)c1Cl	107499553	ZAHGBFKSCHFRRQ-AZVKUDOFSA-N	229.150	4.748	0	10	BJAE	
C/C=C\CCc1cc2c(cc1Cl)CCCC2	107568993	JYKYGGDDBAHHPW-IHWYPQMZSA-N	234.770	4.728	0	10	BJAE	
CC(C)C[C@H](N)c1cc(C(C)C)ccc1Cl	107998638	DZRXKAZEPGUNFV-AWEZNQCLSA-N	239.790	4.509	0	10	BJAE	
CC(C)CCC[C@@H](C)NC/C=C/c1ccccc1	110165942	BIYVDESZNXGARS-WDBUWWRISA-N	245.410	4.504	0	10	BJAE	
CCCC[C@H](CC)CNCCC1=CCCCC1	110168235	JOIXNPMMJFGGLA-HNNXBMFYSA-N	237.431	4.683	0	10	BJAE	
CC(C)C[C@@H](N[C@H](C)C(C)(C)C)c1ccccc1	122559360	JJEVYIJODMJBLN-GDBMZVCRSA-N	247.426	4.798	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1CCCCC1	125922565	WWMNKWSRVUNTCC-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)CC(C)C	129255830	ZZDKHWMAEAGSDV-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCCCCCC1(O)CCC2(CCCC2)CC1	129916933	NVKYADVTDMGLJV-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC(C)(C)CC[C@@H]1N	131638559	RYMBDJKSZYGHGY-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@H](NCCC)c1occc1C	133294796	RZAULSKZIKPUMG-CQSZACIVSA-N	237.387	4.599	0	10	BJAE	
CC(C)Oc1ccc(C(C)C)cc1C(C)C	140852619	PGPHIRMZRQMVLR-UHFFFAOYSA-N	220.356	4.721	0	10	BJAE	
CCC(CC)[C@H]1CCCCC[C@H]1CNC(C)C	155831837	FWHBYDRUSBFYCS-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1ccc(C(C)(C)C)cc1	162236131	VFKOJHGWZWAQGS-CZUORRHYSA-N	247.426	4.810	0	10	BJAE	
CC(C)[C@H](NC[C@@H](C)C(C)(C)C)c1ccccc1	162739209	GDHYPBSYVLYWHK-ZBFHGGJFSA-N	247.426	4.656	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)c1sccc1C	164307892	FBTWMGJFRQSIAO-AAEUAGOBSA-N	239.428	4.533	0	10	BJAE	
CCC(CC)C[C@@](C)(CNCC(C)C)C(C)C	164427945	IUUREWNIJTUHKK-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(O)C1CCCCCC1	167658857	JTFSKRULPDRXAW-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](C)c1ccc(C)c(C)c1	212525041	BGLNHZSOICZSBB-DOTOQJQBSA-N	247.426	4.575	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCCC[C@@H]2C(C)C)c1	214503477	AGNVXHMGSBQTRT-UKRRQHHQSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@@H]1CCCC1(C)C	226563783	JHNWUYBUJHNVCF-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H]1CCCCC1(C)C	226804936	AWNZWDFFWXKRAL-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@@H](C)c1ccccc1	233541036	XAWSZWOITQEBJF-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
Cc1cc([C@H](O)CCCC(C)(C)C)sc1C	300845441	KIXGSYPTVBFCNM-GFCCVEGCSA-N	240.412	4.615	0	10	BJAE	
CC(C)C[C@H](C)CCC[C@H](O)c1ccccc1	302347851	MRHMKAQHDOMYSX-ZBFHGGJFSA-N	234.383	4.573	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2/C=C/CCCCC2)cc1	302464287	PNNHHTQMESFHRD-FJVHFBRSSA-N	243.394	4.535	0	10	BJAE	
CSc1ccccc1NC[C@H](C)C(C)(C)C	304299264	OTWPRAPPBMZZNV-NSHDSACASA-N	237.412	4.503	0	10	BJAE	
CSc1cc(S)c2scc(Cl)c2c1	306640016	IXUGCDCSWCIOCW-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1ccccc1C(C)C	308034208	RHXFIOGIYDTXTK-PBHICJAKSA-N	248.410	4.916	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H](CC)CC(C)C	308053536	JCBBKUZKDTWRMT-CQSZACIVSA-N	246.394	4.894	0	10	BJAE	
CCCCCC[C@H](O)c1sc(C)cc1CC	309401659	VJWZGWIQFMCEIL-ZDUSSCGKSA-N	240.412	4.623	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)C1(CC)CCCC1	310128784	KDESEKVHFLLPLN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC(C)C)C1(C)CCCC1	310251514	OCHLDUXCICMKGU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(-c2nc(C(C)C)sc2C)cc1	310320423	ZYTDPUQQFRQMLY-UHFFFAOYSA-N	245.391	4.804	0	10	BJAE	
CCC1CCC(CNC)(CC(CC)CC)CC1	317045420	OVOYVIVWSLMCKW-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1ccccc1C(C)(C)C	320159726	KQWAKAYQZAUIBV-OLZOCXBDSA-N	246.394	4.849	0	10	BJAE	
CCCC1CCC(N[C@H](CC)C2CCC2)CC1	322613151	CVWMKRYBBPEMST-AVVWSFFYSA-N	237.431	4.514	0	10	BJAE	
CCCc1ccc(NCc2csc(C)c2)cc1	379752012	NWKKPNWSZMKSTM-UHFFFAOYSA-N	245.391	4.621	0	10	BJAE	
CN[C@H](CCC1CCCCC1)CC1(C)CCC1	379998753	XBAMKBHUHZPAQE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(O)c(-c2cc3ccccc3s2)c1	380152886	IWWDYCLWXPOMOT-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1csc2ccccc12	383120637	FXFHYXNODVGRNS-XHDPSFHLSA-N	247.407	4.727	0	10	BJAE	
CCCC(O)(CCC)CCCCCC(C)C	383183800	NJYBSLCRYDKNBW-UHFFFAOYSA-N	228.420	4.924	0	10	BJAE	
CN[C@@H](C)CC(C)(C)CC1CCC(C)(C)CC1	383886022	KRHDUOZLEZCFFI-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(CC)c1NC[C@@H](C)CC(C)C	384466921	GQGVFDSUJNVMCD-AWEZNQCLSA-N	247.426	4.906	0	10	BJAE	
CCN[C@H](CC1CCC(C)CC1)c1ccccc1	385305361	XXBKICFGZJZIEC-VMBOVVBDSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H]2CCC[C@@H](C)C2)cc1C	385306720	ZBSYTWRVXFSMKV-ISTRZQFTSA-N	245.410	4.520	0	10	BJAE	
Cc1cccc(C(=O)CCC2=CCCCC2)c1C	385828554	SVAXDICRJWZDNR-UHFFFAOYSA-N	242.362	4.767	0	10	BJAE	
CC[C@H](N[C@H](C)CCC(C)(C)C)C1CCCC1	387560836	XQHIIYCOIHUWLK-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
CCc1ccc(N[C@@H](CC)C2CCCC2)cc1	387631662	FPCXPWXBANVTGE-INIZCTEOSA-N	231.383	4.630	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CCCc1ccccc1	394144919	ZVFGLJLSGSFUFW-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
Cc1cc(F)cc(NCCC2CCCCCC2)c1	394651402	ZGJRAMSVMWLWHU-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C1C[C@H](C)C[C@@H](C)C1	395133422	SSVWDSJKPJLREC-UMVBOHGHSA-N	240.431	4.636	0	10	BJAE	
CNC[C@@H]1CCCCC[C@@H]1CCC1=CCCCC1	395318260	KEUPBIMAZXIOIK-SJORKVTESA-N	249.442	4.683	0	10	BJAE	
CCc1cc2scc(C(F)F)c2cc1S	396235761	GWJFJZAYMMVPDL-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@H](C)C1CCC1	398761404	ISXCVTYAVLDDOB-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)CC(C2CC2)C2CC2)C1	400816163	GLFOERANMMRASN-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1=CCCC1)NCCC	401089719	UGIBRMOVJUONQH-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	403142941	WPSQZYAOXGVPTF-BMFZPTHFSA-N	244.378	4.625	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1coc2ccccc12	404297674	ONZDFKFEOSQYLD-LRDDRELGSA-N	245.366	4.649	0	10	BJAE	
CCCCCC[C@H](CCCC1CC1)NCC	405828559	MVABEQHAOKMYJZ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](NCCC(C)(C)CC)C1CCCC1	686309232	WMXFKUOMFRSNFX-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(=O)[C@H](C)CC1(c2ccccc2)CCCC1	686746516	LIRGYDOPHRCVPF-CQSZACIVSA-N	244.378	4.504	0	10	BJAE	
CCCC1([C@H](O)C[C@@H](C)c2ccccc2)CCC1	686920322	AWLAJXKEZGTYRB-GDBMZVCRSA-N	246.394	4.512	0	10	BJAE	
CN[C@@H](CCCC1CCC1)c1cc(C)ccc1C	688399656	XJHILVYRCXAJCX-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](C)(O)CC1CCCCC1	689732361	HEJPYUARLDQZQT-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H](C)CNc1cccc(C2CCC2)c1	690111986	CGCURXWTYMYATP-CYBMUJFWSA-N	231.383	4.658	0	10	BJAE	
CC(C)CC(=O)[C@H](C)c1ccc2ccccc2c1	695074499	PLXVKSNRTIUOKU-CYBMUJFWSA-N	240.346	4.559	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@H]2CCCC3(CC3)C2)CC(C)(C)C1	695718895	XEQXVJFIPPMYDU-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CC(C)(C)CC	696178149	PWKLYAMOHUHYIJ-UONOGXRCSA-N	227.436	4.747	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)C(C)(CC)CC	701089638	GEHOVGANPRIWET-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCNC[C@H](CC(C)(CC)CC)c1ccccc1	701143247	BWBSNXQKMHEIFR-INIZCTEOSA-N	247.426	4.596	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)C1CC(C)(C)C1	701472393	WYDUNZGAKKKDOS-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@@H](C)CC(C)C)cc1	704756532	VEEMTVZVSBZHRW-GRDNDAEWSA-N	247.426	4.882	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@@H]1CCCC[C@@H]1C	704798213	UHNNZJSZWUPUQT-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](N)(c1ccc(C(C)C)cc1)C(C)(C)C	704927152	IFMBIDXIGKALTI-QGZVFWFLSA-N	247.426	4.810	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)CCC1=CCCCC1	708298115	VGTWYJDQMHCRAB-DZGCQCFKSA-N	237.431	4.667	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CCC(C)(C)C1CC1	709123153	JCNVJETXMABNLB-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@@H](C)CC(C)(C)C	709151240	ZSLAKWHLHRZXOB-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc(C(=O)[C@@]2(C)CC[C@H](C)C2(C)C)c1	710791725	WKYYNKRZPWUMSA-SUMWQHHRSA-N	244.378	4.640	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H](C)C(C)(C)C	711126133	JQCZTHYDFMTWQF-HZSPNIEDSA-N	227.436	4.602	0	10	BJAE	
CC(C)C[C@@H](CNC(C)C)C[C@@H](C)C(C)(C)C	711185167	UUVCSPVQAJDORB-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@@H](c2ccccc2)CCC1=O	713302435	MFNXSYJAOSXJGD-LSDHHAIUSA-N	244.378	4.576	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CCC(C)(F)F)NC	713927033	WNHZRFWECABOGF-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
C(CCC1CC1)CN[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714256673	MWVXCJZMYOWMEC-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C/C=C/C[C@H](CC)c1ccc(F)c(C)c1	714541540	VNQQZPHXKMMCIH-FUEXJSSKSA-N	206.304	4.594	0	10	BJAE	
C[C@H]1CC[C@@](C)(C(=O)C2CC3(CCC3)C2)C1(C)C	717540813	HJHSKRBMSUSLJB-LRDDRELGSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CCC(C)=C(C)C)NC(C)C	718574646	VJCJQXGKGHKRSM-HNNXBMFYSA-N	225.420	4.680	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H]1C[C@H]1CC	718647120	RLYYVQCGXBFNAO-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCc1cccc(C(=O)C(C)(CC)CC)c1	721690466	GGIFDVCGXWSJQT-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C[C@@H]1CC1(C)C	722631325	RDKDRFORGBFCSR-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C[C@H]1C[C@@H]1CC)NCCC	723093088	DIAJPZFHKQCREK-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](C)SCC1CCCCC1	1188675736	CKGOFGXFZTVECW-NWDGAFQWSA-N	214.418	4.735	0	10	BJAE	
c1ccc2c(c1)[C@H]1CC[C@H]2N1C1CCCCCC1	1255893158	DQFKOVPWSUFUDH-IAGOWNOFSA-N	241.378	4.601	0	10	BJAE	
CCN(C[C@@H]1CCCC[C@@H]1C)c1ccccc1C	1559640692	BNVNNZGDTPLDDZ-HOCLYGCPSA-N	245.410	4.648	0	10	BJAE	
C1CCC(CCCNC2CCC3(CCC3)CC2)C1	1655946612	WKRJQPFHVXNVSP-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)[C@H](C)[C@@H](C)C(C)C	1901703365	PALLNKWZMTURDC-BFHYXJOUSA-N	226.404	4.556	0	10	BJAE	
CCC[C@H](C)C=C(CNCC)C1CCCCC1	1911818353	RFTJMWAVBOPVTN-AWEZNQCLSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCCCC=C1[C@@H]2CCCN[C@@H]2C1(C)C	1911890737	WFSFZANQHIFJNK-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@H](CC)CC[C@@H]1CNCC	1911933963	MKVBPKFAVYGRJP-BRWVUGGUSA-N	249.442	4.561	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CC2(CCCC2)C1	1912720157	CFXNGWXLDNMZRH-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(N[C@H]2CCC3(CCCC3)C2)c(C)c1	1916427598	PSDCAMSZKQMVMG-HNNXBMFYSA-N	243.394	4.828	0	10	BJAE	
CC1(C)C[C@H]1CCN[C@H]1CCCC2(CCCC2)C1	1921580927	SOYJYGQPNGXCEZ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CCCC12CCC2	1921630594	RVSCOPDEIPEYGZ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C(=O)[C@H](C)C2CCCCC2)cc1C	1924102301	YTFKHWLNLJOYCE-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@H]1C=CCCCC1	1925816565	IIJBIVWCYOLXOV-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCN[C@H](C)c1ccc(C)c(C)c1	1926176391	NGRVWYTURCNZDC-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](O)CCC1CCCC1	1941244425	WMDYRHRTQVQLTK-CVEARBPZSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CC(C)(C)CC[C@H]1C	1941355014	IVKVRCYIVJGGFX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)CNC1C(C)(C)CCC1(C)C	1941355989	QTAACMPRGZUWLY-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)CNCCC1(C)CCCCC1	1945431743	GDIPGMVGBVSCFS-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC(C(=O)c2cccc3sccc23)C1	1945958513	KJXKJAQVDRXZBC-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@@H]1C=CCCC1)NC	1947590325	VZWPGTDVRUZNOB-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)C[C@@H]2CCCCC[C@@H]2C1	1947856617	PIKCWQYKGVAOED-FOLVSLTJSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CC(C)(CC)C2)CC1	1948393015	QZWVCNRWHMGOFZ-QVOMUQBLSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C[C@H](C)CC(C)C)C1	1948982247	MOYHGAKOKHEBGW-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1CCC2(CC2)C1	1950241701	GZQUWMVVMDONFE-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C1(CC)CCC1	1951234999	NRNFLEMTUPLUAQ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1(CC(=O)c2ccsc2Cl)CCCC1	1959881800	BPSBNSDZYWRWFR-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NC2CC3(CC3)C2)CC1	1962812206	LPJVAGHBHXEXER-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CN(C)[C@@H](C)c1ccccc1)CC(C)(C)C	1968434812	BMRUOJBSSCIVCQ-GJZGRUSLSA-N	247.426	4.752	0	10	BJAE	
Cc1cc(NC2CCC3(CCC3)CC2)ccc1F	1968591346	HHMJMDZWCJKMHX-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC(CC2CC2)CC2CC2)C1	1970282716	XHBIWUCEHVJIAN-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(NCCC2(C)CC2)cc1Cl	1970790923	WSFJRWHREXCUHE-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
C[C@H](NC1CCC2(CCCCC2)CC1)C1(C)CC1	1970894966	GHOHHFUEDRCXIQ-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CC=CCCC[C@@H](N)C[C@@H](CC)C(C)(C)C	1984650021	STCNGONGLRDZCF-ZIAGYGMSSA-N	225.420	4.523	0	10	BJAE	
Cc1cc(O[C@@H]2CCC[C@@H]2C)c(C)cc1Cl	1989922789	PNFVFDJVKAZPSG-TVQRCGJNSA-N	238.758	4.524	0	10	BJAE	
CCCC1(C[C@@](O)(CCC)C(C)(C)C)CC1	1990615427	NIPQSZGNMCBALR-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
Cc1cccc(C(=O)C(C)(C)C(C)C)c1Cl	1994170441	CNOUNIBYIKFDAI-UHFFFAOYSA-N	238.758	4.513	0	10	BJAE	
CC[C@@H](C)Cc1csc(C2(C)CCCC2)n1	1995450569	ZZRADYGTCQFNGU-LLVKDONJSA-N	237.412	4.563	0	10	BJAE	
CC1([C@@](C)(N)C2=CCCCCC2)CCCCC1	1995976480	WMFHTBKSFBMXMZ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H](N)C2(C)CCCCCC2)C1	1996229324	PMGDMIURQDFRPU-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C1CCC(C)(C)CC1)[C@H](N)CC(C)C	1996593894	IHDBDNAOKVVKNH-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H](C)CC(C)(C)C)NC	1996612840	LCWRWIXYUKJTIR-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@@]1(C)CC=CCC1	1997550520	GKYNAHYGSXMDDT-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@@H]1CC(C)C	1998749275	PCPYLLXQHLXPDE-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2000176547	PGFQQIAVVITHKS-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cccc(C(F)F)c1	2000188725	KWFVAPBCSAKTBT-SNVBAGLBSA-N	240.293	4.633	0	10	BJAE	
CCCCC[C@](C)(N)CC1[C@H]2CCCCC[C@H]12	2002229643	NGKMLWZIMVRITA-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](C2(N)CCCCCCCC2)C1	2003102992	ZVISANWWRKBTDA-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC(C)=CCC(=O)c1cc2c(s1)CCCCC2	2004197217	MTPVVXRBCZZMIB-UHFFFAOYSA-N	248.391	4.556	0	10	BJAE	
CCC1(C)CCC(N)(CC2(CC)CCC2)CC1	2004350860	DMOAJDRJSOLDPR-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC(CCC)CNc1c(C)cccc1F	2004704530	BIKSBCIDORYRLF-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
C[C@H](C[C@H](O)C1(C)CCCCCCC1)C1CC1	2004920536	KYIRHXLLKKIADO-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCCC(C)=C1C	2006927877	GXLHXUKUYMNTBS-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)C=C1CCCCC1	2007940102	NTWXHQDZWDBDCA-HZPDHXFCSA-N	237.431	4.523	0	10	BJAE	
C/C=C/C[C@@]1(CNC(C)C)CCC[C@@H](CC)C1	2008071156	BFFSWQXLKJKVON-HIFBNBFRSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCC(C)(C)CCC1=O	2009405047	UQQQTBOLXDPIAL-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CCCC1CCC(CN)(CCC2(C)CC2)CC1	2009537497	XUANUKPNNFIUAW-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC=CCCCC(=O)c1csc2ccccc12	2009567318	OXELTNBMHWXNKI-UHFFFAOYSA-N	244.359	4.830	0	10	BJAE	
CC=CCCC[C@@]1(N)CCC[C@@H](CCC)CC1	2009569383	OJNSYTXVAOCCHO-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CC=CCCC[C@]1(CNC(C)C)CCC[C@@H]1C	2009620361	USWQBXICJAJKEO-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(O)([C@H]2CCC[C@@H](CC)C2)C1	2009714258	NLXUYUXARBJKKU-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@]1(C[C@@H]2CCCC[C@@H]2C)CCCN1	2009769275	FYHHLSVTBKMQFZ-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(C[C@@H]2CC(=O)CC(C)(C)C2)CC1	2012084582	PMMQDVDLJOVHFH-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H](C)C1CC2(CC2)C1	2012413938	VQJQJOXIRYYIMT-LLVKDONJSA-N	249.785	4.639	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC(C)C)CCC1(C)C	2014849798	QIIPOFHPBZZOCM-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C[C@H](C)C(C)C	2015275682	RVHCGSXJDMDNPP-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)[C@H](C)C(C)(C)C	2015277429	GXIUVUPYDOJTOF-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CC1(CC)CCC1	2015599902	TUYRSWJBCNHPPD-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1(CC2CC2)CC1	2015752811	JXBZKOXDDJKKBX-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CNc1ccc(C2CC2)cc1)C(C)C	2016106572	OQBLGYFJPSQABO-ZDUSSCGKSA-N	231.383	4.658	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC1(C(C)C)CCC1	2017115350	XGZQJZOBSHNKDK-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)C2CCCCC2)CCC1	2017147539	FEFMVRVCWLUNSP-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(C)CCC[C@@]2(C)O)CC1	2017714008	CSKYSWNNLSSALE-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC[C@@H](O)C2)CC1	2017722871	AGASYOQVPWLTMW-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C=C[C@H](CN)CCC)CC1	2017739718	VSLUOEDSMRIZBJ-UYSNPLJNSA-N	237.431	4.524	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](CC)C1CCCC1	2018130670	PJIQWFOLKQSYRM-CVEARBPZSA-N	239.447	4.904	0	10	BJAE	
CCC1(C[C@](C)(N)C2CCC(C)(C)CC2)CC1	2018910201	IXGKIUBZAQVEGR-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](NCC)C2(CC)CCC2)CC1	2018995684	IOPSCIWYVZZPAU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CN(CC)[C@@H]1CC[C@@H](C)[C@H](C)C1	2019123729	IYDCDCMEDTWHKW-IIAWOOMASA-N	239.447	4.569	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1C[C@@H]1C1CCC1	2022336492	FYMZVQFTBAGSOA-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)CC1CCCCCC1	2022556837	JDCNSEVQQUISTO-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](N)CC1CC(C)(C)CC(C)(C)C1	2024090919	CVRNHUQEZVBIHK-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)C[C@H]1CCCC(C)(C)C1	2024097091	WSWFUXOWAIMHQR-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1C[C@H]1CCC	2026078330	COFJFVMSPZYPNG-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
C[C@H](c1ccccc1)c1nc(C2CCC2)cs1	2026544163	JLEXUGOORXAGKM-LLVKDONJSA-N	243.375	4.562	0	10	BJAE	
CC(C)=C(C)CCN1C[C@]2(C)CC[C@@H](C2)C1(C)C	2027023803	QMFMKZQJRJCMPM-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1C[C@@H]2CCC[C@@H]21	2027320667	WVWNPNHTSHRNKQ-HEHGZKQESA-N	243.394	4.585	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)c2ccc(C3CC3)cc2)C1	2028589643	BJWAJYNZGSAMAV-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@H]1C[C@H]2CCCC[C@H]21	2028785517	DMIAANIPUAVIIK-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)C1(C)CC(C)C1	2029112188	OXKPDTOWBAFOBV-PWZRNIHTSA-N	245.410	4.507	0	10	BJAE	
N[C@H](CC1CCCCCC1)CC1[C@H]2CCCC[C@H]12	2032833571	GQGAJOXAXDRFBU-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@](C)(N)CCC=Cc1ccccc1	2037115451	MODZDNHYLXGSFS-QGZVFWFLSA-N	245.410	4.778	0	10	BJAE	
N[C@@]1(CCC2=CCCCC2)CCCC12CCCC2	2037172418	UWWDNFCKHKCABW-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC[C@@](N)(C[C@H](C)C(C)(C)C)c1cccc(C)c1	2037173349	GVMCCIOSGJRWBX-WMLDXEAASA-N	247.426	4.631	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@@H]1C=CCCCC1	2037273374	RDYKDEJYVQREPB-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CCC[C@@H](C)CC1	2039370002	MXFXABJXEYHYHB-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@H](NC[C@H]1C=CCCC1)C1CCC(C)(C)CC1	2040636785	VICPAEDRCFOECY-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](NC)c1cc2ccccc2o1	2040724602	XGCZELCZLYHFME-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2(C3CC3)CCCCC2)C1	2042948592	KFLMVHWKFNADLY-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
C(CCNC1(C2CC2)CCCCC1)CCC1CC1	2042952904	UYPSPVOOIMYVEE-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCc1ccccc1NC[C@@H]1CCC=CCCC1	2045328777	IBWPFBDYYNJAHN-OAHLLOKOSA-N	243.394	4.797	0	10	BJAE	
C1CCC(CN[C@@H]2C[C@@H]3CCCCCC[C@H]32)CC1	2047437733	NXTKQDTUFMAGAT-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)CC12CCC(CC1)C2	2048868382	HZGVLPSUHGJJSZ-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCC12CCC2)[C@H]1CCCC(C)(C)C1	2049531737	GCJLTSRBRHOSTA-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C[C@@H]2C=CCCCC2)C1	2049534469	XVPPELBXSPRODR-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C[C@H]2CC23CCCC3)C1	2049564003	MGNWWHHBRJMVAR-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(NC[C@@H]2CCC23CCC3)CCC1	2049677654	FPCSGPCJZGNHGP-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC1CCC2(CC1)CC2	2049930461	ULPUNDRBGYFJJB-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H]([C@H]1CCC1(C)C)[C@]1(C)C=CCCC1	2050002363	HJFIZBBXFBDYQV-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC[C@@H](C)CC(C)C)c1cccc(C)c1	2050442066	SLBLOAYNQMEOEY-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CCC1(CC)CCC(N)(CC2[C@@H]3CCC[C@@H]23)CC1	2051593381	FLCBCNUHMKLUMU-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(CCC2CCCC2)CCCC12CC2	2053355619	IREIKVCJGSKKEV-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1ccc(CF)cc1	2055668548	DPZMNWLPMKYPTD-CABCVRRESA-N	249.373	4.784	0	10	BJAE	
O=C(CC1=CCCCC1)CC1CC(C2CCC2)C1	2056668383	SUQBLOVEEAHDNI-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCC1(CC)CCC(N)(C2CC(C3CC3)C2)CC1	2057828274	DBISNYJQRNIJOG-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@]3(C(C)C)C[C@H]23)c(C)c1	2058561199	BRLJEFKHTLSNOU-OIISXLGYSA-N	243.394	4.540	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1CC2(CCCC2)C1	2059267155	MDBNFHDFZBWSDZ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@]1(C[C@@H]2CC3CCC2CC3)CCCN1	2059464831	SXFLQCBNTHMMHI-GQGLESIBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CC[C@]12CCC[C@H]1C2	2061606216	KGCQASXTMIHLTA-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@]2(N)CCCCCC23CC3)C[C@H]1C	2062018730	FUXXKQCWNLAWLQ-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C1CC2(C1)CC(C)(C)C2	2062632471	XYQMWXYIOPPUIO-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC=C[C@@](O)(C[C@@H]2CCC=CCCC2)C1	2063678709	TUMROGUCERBIPK-NVXWUHKLSA-N	248.410	4.620	0	10	BJAE	
CC[C@H](N[C@@H](C)CC1CCCC1)c1occc1C	2063686418	FXAHLFAOOWVBFH-ZFWWWQNUSA-N	249.398	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C1CC2(C1)CC(C)(C)C2	2063803458	IHMMWNBLTDTEAC-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)C1CC2(CC2)C1	2064498087	PMTWFMDERHDMRH-CYBMUJFWSA-N	243.394	4.548	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC=CCC1)C1(CC(C)C)CC1	2069518778	DKGQSDRZFQDAAA-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](CNc1cccc2c1CCCC2)C(C)C	2070270150	AMHYPVMHSWFQOJ-CQSZACIVSA-N	245.410	4.660	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)c1ccccc1C	2070399353	QIJIOWAAIOUZJP-JKSUJKDBSA-N	245.410	4.781	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@]23CCCC[C@H]2C3)C1	2074027291	ZTBUFDDOUDYQLE-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)C1(C2CC2)CCCC1	2074634542	SALKEUYSPMFNQY-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2C=CCCCC2)cc1	2075362696	LIJBCFJAPSAICE-OAHLLOKOSA-N	243.394	4.895	0	10	BJAE	
CCCCCc1ccc([C@@H](N)C2(CCC)CC2)o1	2077987598	WMYKNICTRZQZHC-OAHLLOKOSA-N	249.398	4.592	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2C[C@@H]2C2CCC2)CC1	2079301382	BEIRGSYLUZPNSK-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](NC[C@H]1C[C@H]1CCC)c1ccccc1	2079452095	VRRXNSDRFAAXNJ-ZACQAIPSSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@@H]2C[C@@H]2C2CC2)C1	2082984869	FAJJFEZAZYHDGJ-XNRPHZJLSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@@H](C(C)C)C1	2085239904	KRRNMYGSIBKBQY-HZPDHXFCSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@@](C)(O)CC1C[C@H]2CCC[C@H](C1)C2	2213274611	FRSOJMYXVMVQHW-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H](N)C2CCCCC2)C1	2214777973	RDSOGZVUEYCDFW-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCNCC(CC)(CC)CC[C@H]1C[C@H]1CC	2215267806	ZNQDDGIZOVDSNB-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](NCC)[C@@]1(C)CC=C(C)CC1	2215818521	ROZLYHCGAOPMSP-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC2CCCCC2)CC1	2215825052	ZXMYXYDFQMPBCD-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
O=C(CCCC(F)F)C[C@H]1CCC=CCCC1	2216414474	UOQWTQWYYPTAEC-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
CCCCC(CC)(CCCC)CNC1CCC1	2217123854	BVSRYTTUMAIUKR-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@H](C)CCC(C)C	2217147000	FPANHCZSBZTJGX-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC1(N)CC2(CCC(C)(C)CC2)C1	2220662341	GPJJKULIDWFLOF-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](Nc2ccccc2F)C1	2222254966	DTDFXGHGWOSYCL-STQMWFEESA-N	249.373	4.843	0	10	BJAE	
CN(CC1=CCCC1)[C@H]1CCC[C@@H](C(C)(C)C)C1	2222267365	PLGGGIXPQZGIHE-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)C[C@H]1CC12CC2	2223154910	NRZRFUCUWZPQBZ-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCc1ccccc1CCC1=CCCCC1	2243238959	UQSALCGMADIOFM-UHFFFAOYSA-N	214.352	4.682	0	10	BJAE	
CC[C@@H](C)N(C)CC[C@@H](C)CCCC(C)C	2244837052	MZTQTMPIWUVIHD-LSDHHAIUSA-N	227.436	4.569	0	10	BJAE	
CC(C)C(O)(CC[C@H]1CCC[C@H](C)C1)C(C)C	2246690855	GAOLWQYBPRMCPK-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CC1CCC(C(=O)CCCC[C@H]2C[C@@H]2C)CC1	2247173415	RZCZWZMZQCALJP-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@@H]1CCCC12CC2	2247600430	JSXNVERUUPWHQM-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)C1(C)CCCC1	2248810247	VUKRWPKMEXSBKQ-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)CCN(C)CCCCC[C@@H]1C[C@@H]1C	2248846165	YTYUSTYLJQKFFH-HRCADAONSA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)C1(C)CCCC1	2248856417	VUKRWPKMEXSBKQ-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(C2CC2)ccc1F	2250122184	YBHPEGGFJBWVAK-CYBMUJFWSA-N	235.346	4.694	0	10	BJAE	
CCC[C@H](CC)CNC[C@@H]1CCCC(C)(C)C1	2250379640	DFAHVMPGBKCZFX-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@]12CCCC[C@H]1CC2	2251157240	GXJBUFLWBRRXSL-BBRMVZONSA-N	236.399	4.742	0	10	BJAE	
COc1ccc(CC2=CCCCC2)cc1C(C)C	2255131005	QOSSTVYYPDVIIT-UHFFFAOYSA-N	244.378	4.862	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H]1CCCC12CC2	2255328378	VOAVGNLFQXOIHU-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
Cc1cc(F)ccc1NCC[C@@H]1CCCC12CC2	2255335200	YJZOKAKOUAYNFR-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CCC(CC)CCNc1cc(C2CC2)ccc1F	2259137278	WRRLVUOQBRLHGF-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)Cc1ccccc1C(C)C	2259468081	BJWTXHYOJQVQFI-YOEHRIQHSA-N	247.426	4.506	0	10	BJAE	
CCC1CCC(NC[C@@]23CCCC[C@H]2CC3)CC1	2260527979	PXSZQZDSNIKHFR-XGHPGWEVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@](C)(N)c1cccc(C2CCCC2)c1	2260715124	DWTRAEXAGYULRT-DYVFJYSZSA-N	245.410	4.564	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@H](C)CC1CCC1	2298850850	NGCYEZUTOSEZQZ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)[C@H](C)CC1CC1	2298858631	PXLYEYLORVAHJF-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC)CCC[C@H](C)C1	2300675709	HLMAWXPQIXXNJN-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC=CCC(=O)[C@H]1CC[C@H](CCCCC)CC1	2300873102	WGVMBYAVZFOCBT-SHTZXODSSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@H](C)[C@H](CC=C(C)CC)NCCC	2300909308	MTPHGJMDDFWGTQ-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)CC1CCCCCC1	2301140750	ROPHPSOWIUPJSC-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(CC(=O)CCC[C@@H]2C[C@@H]2C)CC1	2302609234	DNPZSLCKAUBOOK-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@](C)(O)C2(C)CCC2)C1	2304390290	KZXYXLVGNUYUOZ-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc([C@H]2CCCC3(CC3)C2)n1	2307695202	PNEYJKXMCYRBLB-GRYCIOLGSA-N	247.407	4.704	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1cc(C)cc(C)c1	2307879480	RLZFAVGCYXXCRE-HOCLYGCPSA-N	234.383	4.553	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2C[C@@H]3CC[C@H](C2)N3)CC1	2311020672	GFDYRXNBOTWCNT-RDSHKEJNSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@](C)(NC[C@@]23CCCC[C@@H]2C3)C1	2311146862	XNMOLMXAITURCD-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCC1)[C@@H]1C[C@H]1CCC	2311515300	GAQYHTGIEHXQNM-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2311525547	WDZGYUSZIQAKIM-JWDQPFGJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1	2311526005	NXRVUXJMWWKFNL-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)C=CCC1	2316883006	FIXHATLVYMZWQL-JKQORVJESA-N	246.394	4.518	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1C[C@H]2C[C@H]1CC21CC1	2317180795	RKAXQJOJXBOKIP-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C[C@@H](C)[C@@H](C)C(C)C)c1ccccc1	2317827918	OOHIKGLUTOQNAV-HLLBOEOZSA-N	247.426	4.656	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H](C)[C@H](C)C(C)C)cc1	2317990351	OXJAZBFRACCJRW-KGLIPLIRSA-N	246.394	4.921	0	10	BJAE	
C[C@@H]1C(C)(C)C[C@@]1(N)CC[C@H]1CCCCC12CC2	2318241109	NVOHMPOUJWXJAW-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCC1CC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2318875232	WEJHSUJESLRWHS-PHZGNYQRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@@H]1CC2CCC1CC2	2318935720	IYEXXUSLZCFOTA-WCMAUXFHSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@@H](N)CC1=CCCCC1	2320257116	TXHSXHGHLHDJHB-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCCCC[C@H]2CN)CC1	2320390615	LQGFFBJAKYNWMN-ZACQAIPSSA-N	249.442	4.668	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2C[C@@H]2C)CCC(C)=C(C)C1	2320395569	WXVQSYNSSIBAMS-LLLHUVSDSA-N	249.442	4.537	0	10	BJAE	
CCCC(=O)CCCc1cccc(C2CCC2)c1	2320671203	JMWOAAYZCNUHMR-UHFFFAOYSA-N	244.378	4.646	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)c1cc(C)ccc1C(C)C	2327682800	YVJPSUFCHSDAID-KRWDZBQOSA-N	247.426	4.729	0	10	BJAE	
CCCCCCc1ccc([C@@H](N)CC2CC2)cc1	2327896409	PCYGYMSAWWJQNK-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCC[C@@H](CC)COc1cccc2c1CCCC2	2328101561	TVMNZDOKFKHTCC-CQSZACIVSA-N	246.394	4.771	0	10	BJAE	
Cc1cccc2cc(-c3ccc(Cl)cc3)[nH]c12	1518912	JBDFNTQPNUSNAQ-UHFFFAOYSA-N	241.721	4.797	0	10	BJAE	
CCC[C@@H](N)c1ccc(C(C)C)cc1C(C)C	21500507	MECCFFPJDHMUNY-MRXNPFEDSA-N	233.399	4.733	0	10	BJAE	
CCCCCC[C@@H](C)NC(CCC)CCC	37138913	LEKJNSFFVAULJN-CQSZACIVSA-N	227.436	4.904	0	10	BJAE	
C[C@H]1C[C@@H]1C(=O)c1ccc(C2CCCCC2)cc1	37358546	YVCNOPWNIINGDB-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@@H]1CCCC[C@H]1CC	57218546	CXWYZNJUCCUIRB-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)c1cc(C)oc1C	69378626	XACBXNGXBPCNPD-JSGCOSHPSA-N	237.387	4.516	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)Cc1ccccc1	70941653	OLXHESIWZQELPK-HZPDHXFCSA-N	247.426	4.566	0	10	BJAE	
CCc1cccc2cc(C(C)C)c(Cl)nc12	71136940	ZTVHFZILFIIIPS-UHFFFAOYSA-N	233.742	4.574	0	10	BJAE	
CCc1ccc2c(ccn2Cc2ccccc2C)c1	75233128	HXFXSMLGYZEUHO-UHFFFAOYSA-N	249.357	4.560	0	10	BJAE	
CCCC[C@H](C)Nc1c(C)cccc1Cl	85387882	MLIFKBGFTQWFQL-NSHDSACASA-N	225.763	4.639	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC(C)(C)CC2)ccc1F	86908487	CBUVNWHCOHSTBU-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CCC[C@H](CCC)CC1	92596558	DHSYCNMMQUCUAH-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@H](N)C1CCC(C(C)(C)C)CC1	94676705	GMTKYQMVLHOCFR-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1ccc(C(=O)C2(C)CCCC2)cc1	94899217	PRCQSDDLUKIGJI-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(N)CCC(C)(C)C	109700770	CQXNGMBIRGCJHP-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1ccccc1C	109719255	RJAPSPCKFNMUTK-HOCLYGCPSA-N	233.399	4.601	0	10	BJAE	
CCCC[C@@H](CC)CNc1cc(F)cc(F)c1	110159002	LHZBQWPPBQDERG-LLVKDONJSA-N	241.325	4.593	0	10	BJAE	
CCCC[C@@H](NC[C@@H](C)C1CC1)c1ccccc1	124954833	UCVNMCJMRVADOP-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](C)c1csc(-c2ccc(F)c(C)c2)n1	132276865	FNHPVJXQPZGHCF-SECBINFHSA-N	249.354	4.771	0	10	BJAE	
CN[C@H](c1ccccc1C1CCC1)[C@@H](C)C(C)C	132597778	MZQNROPCBWCIJP-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H](c1occc1C)C1CCCCCC1	133363188	XGQYMGXWQLWIDF-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCCCC[C@@H]1CC(C)(C)CC[C@H]1CNC	135188919	INYJFPJVZVWMFY-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC(C)([C@H]1CC=CCC1)[C@H]1CC=CCC1	135645620	JVAZARKLIFENBH-KBPBESRZSA-N	204.357	4.725	0	10	BJAE	
CCC(CC)C[C@H](CNC(C)(C)C)CC(C)C	149018644	ZVIQYHIPSFJALC-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](CC)CN(CC(C)C)CC(C)C	149185027	JYFCFPPESLMLOW-MRXNPFEDSA-N	241.463	4.817	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@@H](C)C(C)C	160990472	CEUVHBBFFQDWMM-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC(=O)c1ccc(C(C)(C)C)s1	165331308	BKXSTDMRIOLXFQ-UHFFFAOYSA-N	238.396	4.665	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)C1CCC(C)CC1	167874591	WVYOKZJNPYDLJM-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C/C(C)=C\CCNCCC	211730918	ZEEPYDBBUBTEEG-IZNAZMGOSA-N	239.447	4.929	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)c1ccc(C)cc1	211885222	QGSQKVAMFXNSKR-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)CC1CCCCCC1	229272877	JKOZUZDVZAGBCM-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@]1(O)CCC[C@@H](CC(C)C)C1	230784118	LGYFZPAEMYLHJD-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)c1c(C)cccc1C	234048249	YYYNBXWHXCGTSP-ZMSDIMECSA-N	245.410	4.520	0	10	BJAE	
CCc1nc(-c2ccc(C(C)(C)C)cc2)cs1	259237304	KLWFSCWOSMMDJH-UHFFFAOYSA-N	245.391	4.670	0	10	BJAE	
c1cc2c(cc1CCC1CCCCC1)NCCC2	305968353	PMICWHWELROOMZ-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC(C)CC1(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CCCC1	306025813	OTFYXMNYXYNSHR-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1CCC[C@H](C)C1	309454776	PIWMJDIJBACJJX-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CC(C(=O)C(C)(C)C(C)(C)C)C[C@H](C)C1	310465232	GNETZFGRCCDULA-VXGBXAGGSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCCCC[C@@H]2O)CC1	310504920	KFQYZLNRHPCFJH-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCN[C@@H]1C[C@@H](C)c2ccccc21	311002643	YDKWJSIJOMWANS-RHSMWYFYSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC(C)C)CCCC[C@@H]1C	318045033	JNHMEEUQTASXNA-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]([C@@H](C)[C@H](C)CC)[C@H](CC)CC(C)C	319476967	AJEKHPTXUQGYOX-QXSJWSMHSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cc2cc(C)ccc2o1	319658843	FKYMLEQGESWRQB-NWDGAFQWSA-N	244.334	4.606	0	10	BJAE	
CC[C@@H](N[C@H](CC)C1CCC1)c1ccc(C)cc1	322460779	LGFOOBJVXOHBIP-IAGOWNOFSA-N	245.410	4.614	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)CC/C=C\c1ccccc1	323979477	DYYAYTJRESXGHN-QQPJVBDJSA-N	246.394	4.523	0	10	BJAE	
Cc1cscc1N[C@H]1CCC(C)(C)C[C@@H]1C	387281444	GGHHKEZEFSIQDP-JQWIXIFHSA-N	237.412	4.683	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@H]1C[C@H]1CC	387747376	OTGIEVQXXOECAN-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@H](O)CCC1CCCC1)c1ccccc1	394161445	YLSBMDDFRHSWMM-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
Cc1c(C(F)(F)F)sc2c(C)cccc12	396193606	HAAIGQSGAVLKLN-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@@H](C)C(C)(C)C)cc1	399189403	VIJIMYRIDJSOPG-WOSRLPQWSA-N	248.410	4.916	0	10	BJAE	
CCC[C@@](O)(CC)c1ccc(C)c2ccccc12	399907887	GKYZMVSDZABFFG-KRWDZBQOSA-N	242.362	4.546	0	10	BJAE	
CCCN[C@@H](CCC)c1cccc(C(C)C)c1	688922720	WXNZXCUUXRBZJO-INIZCTEOSA-N	233.399	4.651	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1ccc(C2CC2)cc1	690079938	WGEGJZRZGGSYSR-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@@H](C)c1ccco1	691098076	HXHJYFQREUYQJA-KKUMJFAQSA-N	249.398	4.535	0	10	BJAE	
CCC(C)(C)CCC(=O)C1(C)CCCCC1	696660758	CDKTVLWSTNNXEF-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC(C)(C)CCOc1ccc(C)c(C)c1	696784837	KGPWPXCBEXWROU-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H](C)C1CCC1	697852903	YWUQBDIZOPPEIG-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(O)cc1-c1ccc2sccc2c1	700950183	NKNZHMZTMIACOB-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@@H]1CCCC[C@@H]1C	704844713	MVFZBLIIHAPIIC-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CC1CCC(C)(C)CC1)C1CCC1	705347936	BIGYCZWUCWSQAS-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CCCC(C)C	707645233	XZXRQJVKYMIBOQ-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@@]1(N)CCCCC12CCCC2	707758282	VWBIPOUERDNREO-MRXNPFEDSA-N	237.431	4.789	0	10	BJAE	
CC1CCC(C[C@]2(N)CCCC23CCCC3)CC1	707764864	CQCHVHOTNYSIHW-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CC[C@H]2CCC[C@H]21	707862580	UQGNYGSMVCSVQN-MRVWCRGKSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H](C)CC(C)(C)C	708297493	OHEDSKUQNLTGEI-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CCC[C@@H](N)c1ccccc1)CC(C)(C)C	709189505	PFDIMVWYLFAADH-GOEBONIOSA-N	247.426	4.929	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@@H](CC)C(C)(C)C)NCC	711071986	PPIHKSNTQHXHAK-ZNMIVQPWSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C[C@H](N)c1ccc(C)s1)C(C)(C)C	711213310	XVKIPTAMUCDZCH-RYUDHWBXSA-N	239.428	4.519	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1coc2ccccc12	711322316	RPLHUHYTHZYKQD-AWEZNQCLSA-N	245.366	4.649	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CC(C)(C)C)NCC	713173150	DKLQDUXCIXXENB-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@]1(C)CC[C@H](C)C1(C)C	713262542	MQIRNZBUCCYAIY-XEZPLFJOSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C\CCC1(CNCC(C)C)CCCCC1	713737811	LKNRHSZJFOSFFA-WAYWQWQTSA-N	249.442	4.705	0	10	BJAE	
CC/C=C/C[C@H](C)c1cc(C)ccc1C	714521198	IERUVTRANXWWCW-YBJDMEARSA-N	202.341	4.763	0	10	BJAE	
CC(C)=C(C)CCc1cccc(Cl)c1	718745500	BDFGEJHRHYJVEM-UHFFFAOYSA-N	208.732	4.629	0	10	BJAE	
N[C@@]1(CCC2CCCCC2)CCC=CCCC1	718974459	CLPUZOQXDDTBJI-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCCCCC2(C)C)c1	719261015	OQZGDRJZOXBYOQ-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
CN[C@@H](C[C@H]1CC1(C)C)c1ccc(C(C)C)cc1	722658177	JKNKIFAPILMKBF-HOTGVXAUSA-N	245.410	4.507	0	10	BJAE	
CCC[C@]1(CC2CC(C)(C)C2)CCCCCN1	723540855	NRSBKGJSYCDIFF-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H](C1CCCCC1)C1CC1	723982107	LHEZJCXRARTNQS-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccc(CNCCC(C)(C)CC)cc1	1663031797	GYQJRRDLHINQRM-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
CC(C)(C)[C@H](O)CCCC1CCCCCC1	1901132493	MASLADNFLOPCCU-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)c1cc(C)cs1	1905441656	AFUAVXSNNBGEOM-OLZOCXBDSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1(CC)CCCC1	1905442241	COEQEXWABDQGFA-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)CCC1CCCC1	1905444243	LGYRSCQMWDQYLJ-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(Cl)ccc1NCC[C@@]12CCC[C@@H]1C2	1908417824	OGOPZHLMXRQMDI-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCCC(C)(C)[C@H](CCC[C@@H]1C[C@H]1C)NCC	1908555615	QDIGRSJMTAXHLD-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@@H](C)C(C)(C)C)CC1	1909703087	KBUYFQMVBARUQM-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C1(C)CCCCC1	1912073104	FEFRPJYHEFZMBC-INIZCTEOSA-N	249.442	4.847	0	10	BJAE	
O[C@H]1CCCCCCCC[C@H]1CC1CCCC1	1913403471	JSVFRQVQESBRSI-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CCC2(CCCC2)C1	1916443552	YRQNYOTVSWVROM-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@@](C)(N)c1ccc(CCC)cc1	1920480832	GKSCOEYXIJHQCO-QGZVFWFLSA-N	247.426	4.783	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@H]1C=CCCCC1	1925916751	IHKKJEVXNIVHOP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)C[C@@H](C)C(C)(C)C	1940255086	DHONLUHHWYQYNP-CZUORRHYSA-N	241.463	4.704	0	10	BJAE	
CCc1cccc(NCCCCCC2CC2)c1	1941576873	LEXJPRGGXYRQKN-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CNC(C)C)C1CC1	1942089708	RJTYPDGKDPVGHE-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(C[C@@H](C)CC)CCCC1(C)C	1944486045	MYHKITLDGTXLDL-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](CC(=O)C[C@H]1C=CCCC1)C(C)(C)C	1947558792	MPNGIRDZRREEFT-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
CC(C)CCCNC1CCCCCCCCC1	1947878943	ABZVLDVTNMPSLF-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CC1(C)CCCCC1	1948321135	FMPREHONYWGYFD-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC1(C)CC([C@H](N)C[C@H](C)CC(C)(C)C)C1	1948409777	UQGRFTAZHRFEQW-PGOFDVKTSA-N	239.447	4.602	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@H]1CC[C@H](C)C1	1949430451	YGQXDRJZKBSMJY-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
Cc1csc(C(=O)[C@@H]2CCC3(CCCC3)C2)c1	1949492577	FGXWYGICZQGJNA-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)[C@@H]1CCC(C)(C)C1	1949551647	LTHBUCBMJNFKPX-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@@H](O)CC1CCCC1	1949870298	OIYZTHPFSMQDAY-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@@H](O)[C@H]1CCCC(C)(C)CC1	1950913322	GHBHMRUYVJXLNH-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CCCCNC(C)(C)C	1950970377	IILGAXLDXYPRER-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(Nc2ccc(F)c(CC)c2)C1	1971992449	SHGSFTKTVLPDGB-UHFFFAOYSA-N	249.373	4.769	0	10	BJAE	
CC[C@@H](CC1CC1)NC[C@@H]1CCCCC12CCC2	1973673696	QXTRSMNRWIYARN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1cccc2ccsc12	1977422750	QLAYLUYDPOGANK-ZYHUDNBSSA-N	231.364	4.502	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1csc(C(F)F)c1	1978582107	HNYDKYCFDILFLW-GZMMTYOYSA-N	247.354	4.512	0	10	BJAE	
FC(F)c1cccc(CC[C@H]2C=CCC2)c1	1988322189	VUHIGVASDVNAMB-NSHDSACASA-N	222.278	4.523	0	10	BJAE	
CCCC1(C[C@@H](N)C(C)(CC)CC)CCC1	1988464381	OCDRYULTYGMRCA-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
C[C@H](N[C@H](C)CC1CCC1)C1(C)CCCCC1	1995989133	ULCOVGXWFKLCQB-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H](C)C1(C)CCCCC1	1995990408	HDXLVKKYHZAWSZ-HUUCEWRRSA-N	239.447	4.760	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)CCC1CC1	1996365438	ZOIIGWCVSSZXSJ-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
CCCC(C)(C)[C@@H](CCCCCC1CC1)NC	1996610189	GKUOIFVAIBEOIH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCCC2(CCC2)C1	1997041821	FEGMFQVXXMLCOP-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CCCN[C@@]1(C)CCCCC1(C)C	1997421168	DMNGEMIYMWOLNK-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H]1CC[C@@]1(N)CCCCCC1CC1	1998737991	HOHMZZHYMKIAPM-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@H]1CCCC(C)(C)C1	2000213028	AYRJHDFMGLJOGS-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CN[C@@H](CCCC1CC1)C1(C)CCCCCC1	2000323366	LLMXYOYZKOXQRB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C)[C@@H]1CCC[C@H](C)C1	2003027088	KNTSHQJFZYZBLS-NUEKZKHPSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)[C@H]1CC[C@H](C)CC1	2003104186	RRTBHZPMLJFXAP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H]1CCCC(C)(C)C1	2004229035	FGFZCRJAWWZJJE-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H]1CCCCC12CC2	2005591614	HUQYPLVLRNSSMR-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC1=C(C)[C@H](O)[C@@H](CCCCCC(C)C)CC1	2006895796	XRIAGASNDDSPGP-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](C=C1CCCCC1)C(C)(C)C(C)(C)C	2007938439	XNTROGCCNFSXRQ-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C=C1CCCC1)C[C@H](C)C(C)(C)C	2007941123	YPEDRWNYQIDDIQ-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](O)C1CCC(C(C)C)CC1	2009593666	OVPMWLQXRLXHFD-UYSNPLJNSA-N	238.415	4.556	0	10	BJAE	
CC=CCCC[C@@]1(CN)CCCC(C)(C)CC1	2009616984	NUNFBOIFLXMOIQ-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
C=C=CCC[C@H](NCCC)c1ccc(Cl)cc1	2010987056	FJDGQRMKVWYOAU-HNNXBMFYSA-N	249.785	4.502	0	10	BJAE	
CCC(C)(CC)CN(C)[C@H]1CCCC(C)(C)C1	2011181755	SBORDXKFADGLOK-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@@H]1C[C@H](CCC(C)C)CC(C)(C)C1	2012042393	UFQNMGKIWCWRHC-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H]1C[C@@H](O)CC(C)(C)C1	2012048666	ATHWBANBQXMSDK-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC12CCC(CC1)C2	2012810608	RDULRJLMLCILDJ-LVDPKSTMSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@]1(CNC(C)(C)C)CCC1(C)C	2014845791	INGSNOJTGMGNFD-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@@H](CCC(C(C)C)C(C)C)NC	2015342879	ABPORGAGHKQELE-GOEBONIOSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC(=O)CC1CC(C)(C)C1)C(C)C	2015384547	WIQYRADDMYSDEV-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCCC1(CC(=O)C(C)(C)CC(F)F)CCC1	2016022773	JRJQFYDTHOJPKT-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)c1csc2ccccc12	2016440703	ASSTWARLGWNEGO-MEBBXXQBSA-N	244.359	4.520	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)C(C)(C)C1CCCCC1	2017485104	CIRRWOHRUNLZTF-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C[C@](N)(CC)CCC)CC1	2017728237	JCHNHIKWWHCLPC-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
CCCNCCC=CC[C@H]1CC[C@H](CC)CC1	2017732880	FSZFAZXRJDJRRV-WKILWMFISA-N	237.431	4.539	0	10	BJAE	
CCCC1CCC(CC(=O)CC(C)(C)C)CC1	2017764295	FELSOMMTQMMGAD-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1CC[C@](C)(NCC2CCCCCCC2)C1	2017879728	XQCZRTJJSIIMPW-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](CC)NCC1C(C)(C)C1(C)C	2018137960	AQXNHMHJZPFSNI-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCC)CC1(CCC)CC1	2018982135	IZSGUWXVKTUICV-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCC(C)(C)CCN(C)C[C@H]1CCC[C@@H](C)C1	2019162760	FEQLFLHDOLVHCC-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CCC(C)(C)CCN1CCCC[C@@H](C(C)C)C1	2019380978	ZILPNIZLDGKALO-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CCCC[C@@]1(O)CCC1=CCCCC1	2019780767	RQTQJFKPOVLQSO-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCCC)[C@H]1C[C@@H]1C	2022262228	FMABYILNUVOYGH-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1C[C@@H]1CCC	2022382221	FAVSUQDBXNDDPC-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H]1C[C@@H]1CCC	2022389995	DUXUKMBZBLOITG-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CCC[C@@H](CC)CC1	2022563400	QNLSNQZUIMKCCE-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)CC=C(C)C)CC1	2023318470	GYCOXSFYDNGDSL-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CCC1CC(C(=O)C[C@H]2CCCC(C)(C)C2)C1	2024092757	UUAZICRLRHNRJH-ROKHWSDSSA-N	236.399	4.598	0	10	BJAE	
c1sc([C@@H]2CCCC23CCC3)nc1C1CCC1	2026546000	DYJDGAXVJOIXTD-LBPRGKRZSA-N	247.407	4.848	0	10	BJAE	
CC1(C[C@@](C)(N)[C@@H]2C[C@H]3CC[C@H]2C3)CCCCC1	2027309845	UVLONKJHNCBWSG-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CCC[C@@H]2CC2(C)C)c1	2027832727	NAQOLZUHOIYWJE-CVEARBPZSA-N	245.410	4.520	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@H]3CC[C@@H]32)cc1	2027989866	CFHKPQIQYOZMMW-HYVNUMGLSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1C[C@@H]2CCC[C@H]21	2028782977	QZEDYGFXQFBHSU-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1NCC1CCC=CCC1	2028893084	WHONWUPDCJAIRK-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C1C[C@H]2CC[C@H](C1)C2	2033101756	ZPNAVCWZJHPMSA-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1N[C@@H]1CC[C@H](C)[C@H]1C(C)C	2035415868	YXCGGRCGKKEHOV-IAOVAPTHSA-N	245.410	4.732	0	10	BJAE	
CC(C)(C)NCC1(C[C@@H]2C=CCC2)CCCCC1	2035585612	GETFVEKTJOIQHX-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@H]1CC12CCCC2	2036093419	IKIPIJCNSYXYBL-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@@H]1CC12CCCC2	2036093704	ATRWHHYVVOUGTQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1-c1ccc(N)c(C)c1C	2037365637	TZBKOGUNXVNTAY-UHFFFAOYSA-N	239.362	4.505	0	10	BJAE	
c1cc(C2CC2)ccc1NCC1CC2(CCC2)C1	2038080375	GNWNGIKKCOLNLH-UHFFFAOYSA-N	241.378	4.556	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@H](N)CCCCCC1CC1	2039443305	ZJHAQZLTAUKINO-DJIMGWMZSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)C[C@H]3CCCC[C@@]3(C)C2)C1	2040168121	DTXAUTIBSFWJHC-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(C[C@H]2C=CCCCC2)CCCC2(CCC2)C1	2041293033	LYEBTCPPACKXND-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC(NCC2CCC=CCC2)CC1(C)C	2042337686	XBTGSRPTKHPTHJ-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](NC[C@H]1CCC=CCCC1)C1CCC1	2045316130	AWYHMTIXLWYQCT-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC(=C2CCC(C)(C)C[C@@H]2CN)C1	2045508027	SRHZZAWFSCIUIW-CQSZACIVSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CCCC3(CCCCC3)C2)C1	2045523178	VTIFYADAZBNJGS-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)C[C@@H]2CC23CCCCC3)C1	2047006363	AIMXDKBEHCELDR-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CC23CCCCC3)c1	2047052494	NFCGISHINIZSLE-OAHLLOKOSA-N	242.362	4.538	0	10	BJAE	
CC[C@](N)(C[C@H]1[C@H]2CCCC[C@H]21)C1CCCCC1	2048442385	UZQVBWGVUVWKSZ-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](C)N[C@H](C)c2ccccc2)C1	2049530392	WKRJWIRSXKEJNR-KCYZZUKISA-N	245.410	4.552	0	10	BJAE	
C[C@H]1CCCc2nc([C@H]3CCCC(C)(C)C3)[nH]c21	2049569674	FTUQYKRISXRLHE-RYUDHWBXSA-N	246.398	4.533	0	10	BJAE	
NCC1(C[C@H]2CCCC3(CC3)C2)CCCCCC1	2049846530	UDEYZUBYBFJULX-HNNXBMFYSA-N	249.442	4.646	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@H]1CCC2(CC2)C1	2049851232	APPFTOAUSDWJSX-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@H]2CCCCC23CC3)C[C@H]1C	2053359540	SDQNUJHVWWYXRA-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
NC[C@@]1(C2CCCCCC2)CCCCC12CCC2	2053420190	JGFFSODVJMPBPD-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CCC[C@@H](N[C@H]1C=CCCC1(C)C)C1CCCC1	2055540773	IARXQBPQVRIDGB-CVEARBPZSA-N	249.442	4.680	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	2055671291	GTPYTEYIMKIHQZ-PQEBFOHHSA-N	249.442	4.536	0	10	BJAE	
C[C@H]1C[C@@H](Nc2ccc(CF)cc2)CC(C)(C)C1	2055671908	NDOHHWGUFMSKEU-SWLSCSKDSA-N	249.373	4.783	0	10	BJAE	
C/C=C/C[C@@]1(CNCC(C)C)CCCCC12CC2	2057064604	FBODMTPMWWNATM-BDUNBXCCSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2CC3CCC2CC3)CC1	2058991080	GTXNTTLULYRHTR-WVTZPBJPSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H](N)CC2CCCC2)CC1	2061092647	RHNSGZMXRRPTIO-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)C1=CC[C@@H](C(C)(C)C)CC1	2061111972	AWFVVXJZQBJQRC-CKEIUWERSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC2(C1)CC(N)(C1=CCCCCCC1)C2	2061116086	MQSDDFGSIWZCGX-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CCCNC[C@@H](C)[C@@H](C)CC1CC(=C2CCC2)C1	2061667505	IMIDHOVECOQYRA-UONOGXRCSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)C1CC2(CCCCC2)C1	2062651164	IZSUWDNLHFEDHG-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1C[C@@H]2CCC[C@H]2C1	2063502342	WBKUJIZETWLNMK-HOSILWTGSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(CC23CCC(CC2)CC3)C1	2065340398	VYQTTYCXXLUKHE-GVZMAFGBSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2C(C)=CCC[C@H]2C)CCC1	2069289679	MIOFZRGHXGIZAI-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCC[C@H](NCC2(CC3CC3)CCC2)CC1	2069505181	KCYOBJSZXORFGT-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NCC1(CC2CCC2)CC1)C1CCC1	2069581873	VHZHAQMEXVRRPC-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2070945274	YCDRMZRILLJWSD-DRXUAVOGSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)[C@H]2CCC3(CC3)C2)CCC1	2071915466	NSUQHYQESZDYNW-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC=CCCCN1CCC[C@H]1C1CCCCCC1	2071968101	BKSFUMVFBZDOSN-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CCCC1CCC(C=C2C[C@@H](CN)C2(C)C)CC1	2072821040	KGSWUBUMGIVBEX-XUJLQICISA-N	249.442	4.524	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)c2ccc(C)cc2)CC1	2072869742	UGIUOOJNFOZQPP-SHTZXODSSA-N	244.378	4.784	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@@]1(C)CCC(C)(C)C1	2073068547	UALAUDZAOHHEMQ-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2c(ccn2C[C@@]23CCCC[C@@H]2C3)c1	2074089854	GKUSWANOEDEACS-WBVHZDCISA-N	239.362	4.530	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CNc1ccccc1C1CC1	2077262183	NVFZVPWFUFVFEA-UKRRQHHQSA-N	243.394	4.802	0	10	BJAE	
c1ccc(NC[C@H]2C[C@@H]2C2CCCCCC2)cc1	2079446050	HMWBKXSLKKLLRE-NVXWUHKLSA-N	243.394	4.705	0	10	BJAE	
CCc1ccc(NC[C@@H]2C[C@@H]2C(C)(C)C)cc1C	2079619827	NIHJZXMOJAOOFA-HOCLYGCPSA-N	245.410	4.652	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C[C@H]2C2CCCCC2)CCCC1	2079837874	CVVJFVNUHVQSDY-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H]1C[C@@H]1C(C)C	2079850237	DMXKTJCPBIBXHZ-GDBMZVCRSA-N	244.378	4.504	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1sc(C)c(C)c1C	2211701269	LWDQNJRTQCJPNP-GFCCVEGCSA-N	240.412	4.533	0	10	BJAE	
CCCCC[C@](C)(CCC)CNC1CCC1	2212588150	NCTBKEMTNAJBFK-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)c2cc(C)sc2C)C1	2215459915	XQYVXVMQKFOXGP-TVQRCGJNSA-N	248.391	4.540	0	10	BJAE	
CCN[C@H](C)[C@@H](C)CCCCCCCC1CC1	2216878466	CQVACUMOUYYODA-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCN[C@H]1CCCCCCCCC1CC1	2216890432	GDYXTVJATDMECW-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@H](CN[C@H](C)CC)C1CCC1	2217125533	QFLCNFKZDONDEK-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CC(C)(C)CC)C(C)(C)C	2217126584	BAAHSLFQLFAMHO-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCC1CCC(C[C@@H](C)CN[C@H](C)CC)CC1	2217147738	MDAFDGZWKKACPR-WXLSXGNJSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CN[C@@H](C)CC)CC1CCCCC1	2217149247	HPNQYIYDQDFZMJ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1CC)CC1=CCCCC1	2220881940	ZYXCYXSHYXKJJN-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@H](O)CCC2(C)CC(C)(C)C2)cc1	2221023050	MWKNWYNFQOYRAZ-HNNXBMFYSA-N	246.394	4.635	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1C)[C@]1(C)CC=C(C)CC1	2221628348	CULQLBDTCVWVMW-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC=CC1	2222954800	NGARAUKYFXMOHC-YCPHGPKFSA-N	246.394	4.518	0	10	BJAE	
CC[C@H](C)C1(CNC2CCC2)CC2(CCCC2)C1	2223559996	PUPPNKXWCBPEON-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)c1cccc2ccoc12	2224163445	CZIVZDMQQPYWAU-NSHDSACASA-N	244.334	4.688	0	10	BJAE	
CCCC1(C(=O)c2csc(C)c2C)CCC1	2242621606	RNHWXZOGTIPKJM-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1=CCCCC1	2243209692	DQCCJRCLAIIFCK-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C(=O)CCCC[C@@H]1C[C@@H]1C	2244784608	VAYVZEJXDPDOIF-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C)NCC[C@@H](C)CCCC(C)C	2244848056	XAKPUSDIRNVLEO-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
C[C@H](C(=O)CC[C@@H]1CCC[C@@H](C)C1)C1CCC1	2246662410	GQNWJGPBIPHISL-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@](C)(O)CCCC[C@H]1C[C@@H]1C	2247115641	LVPXZWDCUYLDSR-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CC(C)C(C)(C)C(=O)CCCCC[C@@H]1C[C@@H]1C	2248860148	ZKEIMXGEPWRSER-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC[C@@H]1CCCC12CC2	2250358783	AUQMRNPOGMRUIG-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cccc2ccsc12	2250359317	RJYLVAIMZLAAKN-FZMZJTMJSA-N	248.391	4.761	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1CCCCC1(F)F	2250371868	NFMVBHSSOWCLFT-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CN[C@@H]1CCC[C@H]1CC[C@H](C)CCCC(C)C	2250479828	YYNJTSNULSDORQ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)c1ccc2ccsc2c1	2253083458	VFGQGESSUZUFDM-GFCCVEGCSA-N	244.359	4.520	0	10	BJAE	
O=C(CCC1CCC1)c1ccc2ccsc2c1	2253092957	JYTRLFVLYRQRQM-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
Cc1cc(CC=Cc2ccccc2)cc(C)c1F	2253445285	ULPIZWCCDISSGQ-UHFFFAOYSA-N	240.321	4.698	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@@H]1CCCCC12CC2	2253795814	UKKRMJNBAQINQU-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@H]1CCCCC12CC2)C1CCCCC1	2253870773	XBTJLOMNPNLTKT-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(F)c(NCC[C@H]2CCC[C@@H](C)C2)c1	2253967187	FEMHICUNKSHEDA-TZMCWYRMSA-N	249.373	4.762	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)CC1CC2(CCCC2)C1	2254109652	UBAULHXYFCAJFS-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@](C)([C@@H](N)CC2=CCCCC2)C1(C)C	2255051415	NCYHDUCWSIDDRW-KMFMINBZSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C(=O)CC[C@H]1CCCC12CC2)C1CCC1	2255304502	CXZUHRWVTBUHID-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)C[C@@]12CCC[C@H]1C2	2257247385	KENZADOJVRZAMT-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCN1CCCC12CCCC2	2257300692	FOXZTFHBCXIDHH-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@@]12CCC[C@@H]1CC2	2260505705	ZITMEMBQRLQAHK-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@]12CCCC[C@H]1CC2	2260508506	PJTQEFRAVOAVJG-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
C(CCNC[C@]12CCCC[C@H]1CC2)CCC1CC1	2260544912	SUGYNADMFZBQMZ-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@]23CCC[C@H]2CC3)C1	2260579515	RQNWBKDQJMPUEL-ICEJCHNJSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC=C[C@]1(N)CC1CC(CC(C)(C)C)C1	2261263174	GBSGJHKHPCGFBZ-GIOUXUJVSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@@H]1CC)CCC(C)(C)C	2298128627	MHOANLHJDNBCGH-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC[C@](C)(C(=O)CCCCCC1CC1)C(F)F	2299835297	PUHYNPZKOMDFMT-CQSZACIVSA-N	246.341	4.597	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@H]1CC=CCC1	2300704973	YSGBRMSSVWPUQS-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@](C)(N)C1CCC(C)(C)CC1	2300923762	MAUYZSLRCYOFKN-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C[C@H](N)[C@@H](C)[C@H](C)C(C)C)C(C)(C)C	2301824084	AAKSFVWGTLBCIJ-BARDWOONSA-N	241.463	4.704	0	10	BJAE	
CSCC[C@@H](C)Nc1ccccc1C1CCC1	2301884864	GJRAVCCHNGUAML-GFCCVEGCSA-N	249.423	4.508	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)C1(C)C(C)(C)C1(C)C	2301960150	ZUWWEXAUGIHHPL-RYUDHWBXSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)CCCC1=CCCCC1	2302362307	XSARTRPOXDJVHH-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CC[C@@H]1C(C)(C)C	2303444281	IFVIUJLBNZLGBO-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CCC[C@@H]2C)CC1	2303602299	VDDDRYBMLKBACI-CFVMTHIKSA-N	234.383	4.518	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC[C@H]1CCC(C)(C)C1	2304393296	FHVCIAFCAHYFOE-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC(C)(C)C1)[C@H](C)CC	2304413467	ZOTIHGMIZXPZFA-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](O)CCC2(C)CC2)C1	2304431162	HVRPXYKCTIKREM-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H]2CCCCCC2=O)C1	2304448111	VAPMFVAITSLMJE-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)CCC(C)C)c1	2307502292	YCQHMGFJDUBFCR-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	2307764129	UDMUNWDUEQBMFT-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1(C)CCCCCC1	2307816594	GOLOAYOCQWNZCC-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)C12CCC(CC1)C2	2307817418	OZIUVQOSKOCWBI-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)C1CC(C)(C)C1	2307907971	FLVBCMUCSSMQLH-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@@]12CCC[C@@H]1CC2	2313321757	TXPSBRAQFJXXBP-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@@](N)(C[C@@]23CCCC[C@@H]2CC3)CCC1	2313350471	PSTBJSAXYKXVNV-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1C[C@@H]2CCC[C@@H]21	2315891576	LTTKRVDXWWJUGG-YQQAZPJKSA-N	243.394	4.719	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1C[C@@H]2CCCC[C@H]21	2316534466	BZMPUJXTUWEODL-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
N[C@@H]1C[C@H](CC2CCCCCC2)CC2(CCC2)C1	2316877544	GGKAIGYLQKORGK-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
O=C(CCC1CCCCCC1)c1cccc(F)c1	2316885487	QWTUCKCYGFDLGS-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCCC2=CCCCC2)C1	2318532487	YYJILELAIAHZIB-NVXWUHKLSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)c1occc1C	2318576862	SUXLCUYGDAWEIP-OAHLLOKOSA-N	247.382	4.519	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)C[C@@H]2CCCC[C@@H]21	2318589270	OSWIQTLFHKXSPC-ULQDDVLXSA-N	248.410	4.598	0	10	BJAE	
C(CCC[C@@H]1CN[C@H]2CCC[C@@H]2C1)CCC1CC1	2319909234	SJTQNGUBPZBWCM-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](N)C1=CCCCCCC1	2320215847	RVBUFTVTPSIVDV-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@@]1(C)C=CCCC1	2320220771	BRGXIYLKWLAEBN-CPUCHLNUSA-N	248.410	4.764	0	10	BJAE	
CC[C@H](C)[C@]1(CNC2CCC2)CCC(C)=C(C)C1	2320261774	SYJZJUHULVBVDB-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@@H]2CCCC3(CC3)C2)CC1	2320386866	AZDWWEJLGUXCLI-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H](C)C2CCCC2)CC1	2320425219	VWWKYEAVMKPNNH-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC(=O)[C@H]([C@H](CC2CC2)C2CC2)CC1	2320697572	QCMZRQLRMRUKEU-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)C=CCC(C)(C)C2)C1	2321609999	BRVXXWFMWRQGEI-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CCCCCCc1ccc(C[C@@H](O)CCC)cc1	2327894318	QJTFUSPGYDXWDI-KRWDZBQOSA-N	248.410	4.513	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)CCc1ccccc1C	2328270093	WIBYEEPGRUWEOV-WBVHZDCISA-N	248.410	4.505	0	10	BJAE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1cccc(F)c1	21800255	OQBJGNAPDLRLHC-MAZHCROVSA-N	249.373	4.698	0	10	BJAE	
CCCCc1ccc([C@@H](C)N[C@H](C)CCC)cc1	21811457	RYOOEMJXYSKUHR-HUUCEWRRSA-N	247.426	4.868	0	10	BJAE	
CNc1ccc(-c2cccc3ccccc23)cc1	34542815	NLCDCBKTTOWYGV-UHFFFAOYSA-N	233.314	4.549	0	10	BJAE	
CCCCC[C@H](C)Nc1ccccc1OCCC	36955375	UPARJILBCDCAIO-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CCC[C@@H](C)CN[C@H](C)c1cc2ccccc2o1	37070831	BIKVPBSXZFXNQV-CHWSQXEVSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(C)c(C)c1	68985452	VVGVEGPSLRIISI-AWEZNQCLSA-N	219.372	4.684	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CCNc3ccccc32)C1	71158320	UPSXFSRPURHJFG-ILXRZTDVSA-N	243.394	4.802	0	10	BJAE	
Cc1cc(NCCC(C)(C)C)ccc1C(C)C	83360404	XIHJQGBHQSMGKZ-UHFFFAOYSA-N	233.399	4.967	0	10	BJAE	
CCCC1CCC(O)(CCC(C)(C)C)CC1	83502560	PZUGHNPVRWWWOZ-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCCC(C)(C)C2)c(C)c1	83783645	YUFFCGJFBPOWLN-OAHLLOKOSA-N	245.410	4.993	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)[C@@H](C)CC	87172824	YCMRRAGBSYJGSV-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CCC[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1	87818741	KMOSODUUIFNUKG-JTQLQIEISA-N	247.769	4.726	0	10	BJAE	
CCC[C@H](C)[C@H](N)c1ccc(C(C)(C)CC)cc1	90482937	RJHXGLKADRWLOJ-BBRMVZONSA-N	247.426	4.810	0	10	BJAE	
CCNC[C@@H](c1ccc(C(C)C)cc1)[C@@H](C)CC	93190435	BRNBHRGHEFWPTC-WMLDXEAASA-N	247.426	4.549	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)C1CCCCC1	103986925	ZAIOOLGVDDPYNH-CQSZACIVSA-N	245.410	4.938	0	10	BJAE	
C/C=C\[C@H](C)Cc1cccc(Cl)c1Cl	107499554	ZAHGBFKSCHFRRQ-LVCFMKKZSA-N	229.150	4.748	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)c1ccccc1C	109705164	UKENZARBTLTDJX-WBVHZDCISA-N	247.426	4.775	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@@H]1CCCC[C@@H]1CC	111747356	COUNMDJKHSYONE-LZWOXQAQSA-N	249.398	4.537	0	10	BJAE	
Clc1ccc2c(ccn2CC2CCCCC2)c1	129634790	MLCQASNUNUAGEX-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCCc1csc(-c2ccc(C(C)C)cc2)n1	132047293	UFKPGLUOFMGWQM-UHFFFAOYSA-N	245.391	4.886	0	10	BJAE	
CCCN[C@H](CCC(C)C)c1ccccc1CC	158640684	BBTXACZDBDGJEW-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCCCCC(=O)C1C[C@@H](C)C[C@H](C)C1	168443291	RBZFIUCLKAYXGP-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC2CCCCC2)C1	203289487	WEVFSDMQRQCIEB-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
C=C/C=C/CCCc1cccc2ccccc12	220537007	NVHBKDOMRBPHLH-ONEGZZNKSA-N	222.331	4.905	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CC[C@@H](CC)[C@@H]1C	225227378	SZTUBEPDOWCGGH-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCC[C@@H](O)C1	227232646	ANSUJYVMNXLDFB-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@@H]1CCC[C@@H](CC)C1	229482261	UHYQKGLHGJIJAA-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]([C@H]1CNc2c(Cl)cccc21)C(C)(C)C	235314074	QMCDIPWJLSHIHU-GXSJLCMTSA-N	237.774	4.531	0	10	BJAE	
CC(C)SCc1coc2cccc(Cl)c12	258774345	PULMXGNZMQNNGY-UHFFFAOYSA-N	240.755	4.728	0	10	BJAE	
Cc1cccc(N[C@@H](C)CCC(C)C)c1Cl	300867842	KCMSCHGQUQLAGM-LBPRGKRZSA-N	239.790	4.885	0	10	BJAE	
CSc1cccc(N[C@H]2/C=C/CCCCC2)c1	302466666	PRLGWPZMAZOXMG-LJLILKBBSA-N	247.407	4.709	0	10	BJAE	
CN[C@@H](CCC[C@H](C)CC(C)C)c1ccccc1	305901656	BFPOWGQZDNSBGU-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CC(C)C)CC(C)C	305966443	PFKYHVSHLZTWKD-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
Fc1csc2cc(C(F)F)cc(Cl)c12	307347627	AHUOJRBWJQPILX-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCOc1cc(Cl)c(Cl)c2ccsc12	307672227	WLBQEKQNZSLSAV-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H]([C@H]2C=CCCCCC2)C1	310067461	HJJWHSNFKIJAOY-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CN[C@H](CCC[C@@H]1CCC[C@H](C)C1)C(C)(C)C	310467865	AJZLYCNKKONUFC-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](C)[C@H](O)c2ccccc2)C1	310728282	CVCOEZSUJSJFFL-AIANPOQGSA-N	246.394	4.573	0	10	BJAE	
CC(C)(C)CCCNCCC1CCCCCC1	313255920	XSXWZJWNVPQLRX-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCCCC[C@@]1(CNCC)CCCC[C@@H]1C	317280782	PIVHIHGJYAYTDB-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(C)(C)CNC(C)(C)C	318647231	AMEGPKICWXSDSC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC12CCCCC2)[C@H]1C[C@@H]1C	322219884	WWDOZNYGVVDAHW-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@H](CC)c1ccc(C)cc1)C1CCC1	322460778	LGFOOBJVXOHBIP-DLBZAZTESA-N	245.410	4.614	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C(C)(C)C1CCC1	322599370	MKKYQUCKKMTRLM-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCC2=CCCCC2)CC1	379581599	MFBKEZKVJZEMIZ-RDJZCZTQSA-N	249.442	4.825	0	10	BJAE	
CCC1CCC(CN)(CCCC(C)(C)C)CC1	379629572	JBZZKNRVFSPQPB-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@H](CC)CNC1(CCC)CCCC1	382327488	YIBRCKKGZFSKHS-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC(C)CCCCC[C@]1(CC(C)C)CCCN1	383252518	KOJCSXQHDBKYJV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C1(C)CCCC1	383492655	GGXHEHDKDCBJDU-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC[C@H](C)[C@H]1C	383521380	KPNOWILTCIFTRG-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H]1CCCC[C@@H]1C	384513204	UQFNFDAPYZYDTA-JLJPHGGASA-N	246.394	4.670	0	10	BJAE	
CCc1ccc(N[C@H](CC)C2CCCC2)cc1	387631663	FPCXPWXBANVTGE-MRXNPFEDSA-N	231.383	4.630	0	10	BJAE	
CCc1ccc(C(F)F)c2sc(C)cc12	396197706	IWVFYNZQHJEWPM-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CCCC2)[C@@H]1CC1(C)C	397666913	PGBGCCANTGMCLP-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H](C)C1CCC1	398936692	UARQOSXOIIMWIK-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC(C)C1([C@@H](O)C[C@@H](C)CC(C)(C)C)CCC1	686925323	AAHKYMHNEJDPKX-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](Nc1ccc2sccc2c1)C(C)(C)C	687710727	XIYGVGKYGABNST-SNVBAGLBSA-N	233.380	4.748	0	10	BJAE	
CCc1ccc(CC)c(NC[C@@H](C)C(C)C)c1	689595736	LCMISFMSFSJYNU-CYBMUJFWSA-N	233.399	4.515	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCC[C@H](C(C)C)C1	696807654	SYVNVZNETIFUQL-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(C(=O)C(C)(CC)CC)CC1	701274647	AHAKFINJIRJCCF-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](NCC2=CCCC2)CC1	702332609	IHINPZSQPMWCIS-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)C[C@@H](C)C1CCCCC1	704889230	KNYYSVHHGGEBDN-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1CCCC12CC2	706971340	AGXACOMEGHBBMM-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(C(C)(C)C)CCCN1	709191806	UICLJAFJYPMKLA-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)SCC(=O)C[C@H](C)CC(C)(C)C	709275670	SGRWUJMUMFVYTK-RYUDHWBXSA-N	244.444	4.550	0	10	BJAE	
CC1CCC(CC(=O)C23CCC(CC2)CC3)CC1	710324768	WUAYYXOPGJKKRL-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H](COc1cccc2sccc12)C(C)(C)C	711124268	QQPUHWKAFFPXEV-LLVKDONJSA-N	248.391	4.962	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(N)CCCC12CCCC2	713176691	VZIGYVKZOKZSJQ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
C=C/C=C\CCc1ccc(F)c2ccccc12	713653554	BNLOTXOBNOVFCL-ARJAWSKDSA-N	226.294	4.654	0	10	BJAE	
C=C/C=C/CC[C@@H]1C[C@H](C)CC[C@@H]1CNC(C)C	713709819	LKOOGKDXBZKQOX-SKPMUFQZSA-N	249.442	4.559	0	10	BJAE	
CC(C)=C(C)CCNc1ccc(C(C)C)cc1	718507808	UTXYCUIWKUVLOX-UHFFFAOYSA-N	231.383	4.968	0	10	BJAE	
CCC(CC)[C@]1(CNC2CC2)CCC=CCCC1	719000728	XIUVJIVNJUOKFC-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC(C)C)C1(C)CCC1	720772710	GBUPFSATTXFEIU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)c1nc(-c2ccccc2)cs1	721689627	ADNCQCRAEWPVCU-UHFFFAOYSA-N	245.391	4.888	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1cccc(C(C)(C)C)c1	821962693	DLRNCLMILWYQKZ-CJNGLKHVSA-N	247.426	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC23CCC(CC2)C3)CC1	1308357677	KJFCDNMSLFKSOU-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@H](O)C(CC)(CC)CC	1900692704	GRPOOSBFCFAJEV-AWEZNQCLSA-N	228.420	4.780	0	10	BJAE	
CCC(CC)CC[C@H](C)c1cccc(N)c1	1900712132	HFRYBQQPWRTNQQ-LBPRGKRZSA-N	219.372	4.589	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC1CCCCCC1	1901109991	FLXRWPMCXCPXQR-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1cccc(F)c1Cl	1901719967	IDTWDOJGUSIFAP-ZJUUUORDSA-N	243.753	4.572	0	10	BJAE	
Cc1cc(-c2ccccc2C(F)(F)F)cs1	1901894109	CXSHVRDDZWCWFQ-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
CCc1cscc1NC1CCCCCCC1	1902388804	BDUABFRKOABYTR-UHFFFAOYSA-N	237.412	4.835	0	10	BJAE	
CCCC=CCNc1ccc(CCCC)cc1	1914675807	NHOJYUYPKMXRIN-UHFFFAOYSA-N	231.383	4.797	0	10	BJAE	
CCCCCC[C@@H]1CC[C@@H](C)C[C@H]1NCCC	1916012860	BZEGZNPIQWGGIW-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@H](C)CC(C)(C)C)[C@@H](C)C1	1916086060	LBSFOCGNJSGTNL-XDQVBPFNSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCC12CCC2)C1CCCC1	1921489691	KVVIBPWVTIOPFE-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
NC[C@@H]1CCCC2(CCC2)C1=C1CCCCCC1	1924833978	IVUAUZQELQTUEI-HNNXBMFYSA-N	247.426	4.566	0	10	BJAE	
CCN[C@H](CC1CC(C)C1)C[C@H]1C=CCCCC1	1925793542	VIOXKGGOUSGJPK-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCCC1)[C@@H]1C[C@H]1CC	1925949883	VPQVOMUDZMDAPT-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1csc(Cl)c1	1928732030	ZJQQLNXYVJGRLT-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cc(C)cc(Cl)c1	1939731656	ZDLCGFCXZTUVNB-NSHDSACASA-N	238.758	4.657	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](O)CC1(C)CCCC1	1941244196	UCNPNRCFDGIISH-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
C[C@H]1C[C@@](O)(CCCCCC2CC2)CC[C@H]1C	1941579373	NCWYALDNMCLPLH-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@@H](C)CC(C)C	1941596476	MMMOBLFHGMUHCS-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H](CC)C(C)C)CC1	1941934881	NSPDDMSTNQNGLJ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](CCC(C)C)C1CC1	1942800127	XLJUGAFYIUAPJU-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)c2cccc(C3(C)CC3)c2n1	1944601939	LAOYKAYNOFIDIH-UHFFFAOYSA-N	245.753	4.502	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)C[C@@H]1CCC[C@H]1C	1944836751	NBWPBIQCKUHDLR-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@@H]1CCC1(C)C	1945748438	KVYYCUDDRVKOOJ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1cccc2sccc12	1945947414	LNRMZHWOMLLGHG-FZMZJTMJSA-N	247.407	4.598	0	10	BJAE	
CCc1ccccc1N[C@H](C)[C@H](C)CC(C)C	1948323419	NMNVGZQKKORMRT-ZIAGYGMSSA-N	233.399	4.732	0	10	BJAE	
CCC1(C)CC(N[C@@H](C)CC2CCCCC2)C1	1948398279	PQCQIZHSVFGQGZ-JEYLPNPQSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)CCCC2CCC2)C1	1949013605	OGKRMLLEYVPARA-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@](CO)(C2CCCCCC2)CC1	1950908274	LVWIHOVEGHNTRP-GOEBONIOSA-N	238.415	4.536	0	10	BJAE	
CC1CCC(CO)(CC2(C)CCCCC2)CC1	1950910389	GEVJSNLHIZTXEE-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H]1CCC[C@H](C)CC1	1950923318	FUCRTPIDPUJCCG-BPUTZDHNSA-N	237.431	4.667	0	10	BJAE	
CCCCCCC1(CO)CC2(CC(C)(C)C2)C1	1950950239	GCNKGGRVDCHDSF-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
Cc1cc([C@@H](O)CCCC(C)C)sc1Cl	1960263237	YHDBNAFOLOCQPM-JTQLQIEISA-N	246.803	4.570	0	10	BJAE	
CCC1(CC)CCN(CC2CCC=CCC2)CC1	1966390217	QLGJVRDQHNXXAX-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCc1ccc(-c2nc(CC(C)C)cs2)cc1	1968431846	HEIVFFLBNRATFK-UHFFFAOYSA-N	245.391	4.571	0	10	BJAE	
CCC[C@@H](CC)NCc1ccccc1C(C)(C)C	1970465400	PXGBNJYTDBQZIF-OAHLLOKOSA-N	247.426	4.652	0	10	BJAE	
C[C@H](CN(C)CC1(C)CCCCC1)C(C)(C)C	1973010836	UVPDQJKKCYUBBR-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)c1cc(C)ccc1C	1973169228	HHAZHFMHTVOIAX-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CCC1CCC1	1976921969	LTOKPNRZWVXJEW-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
Cc1cscc1NC[C@H]1CCC=CCCC1	1978290779	SKNMXVVTRBOQLI-ZDUSSCGKSA-N	235.396	4.605	0	10	BJAE	
CCCN[C@H](CCC)c1csc(C(F)F)c1	1978577817	MMQOLIPIUIVUJR-SNVBAGLBSA-N	247.354	4.527	0	10	BJAE	
CCCC[C@@H](CCC1(C)CCC1)NCCC	1979058411	FCLYUXTZGLBFET-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)=CCCC[C@H](O)c1ccccc1Cl	1980682745	WRMVCQWUNXVWJW-AWEZNQCLSA-N	238.758	4.510	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CC)c1cccs1	1980686589	FBQJRMQEJVANSA-CHWSQXEVSA-N	239.428	4.615	0	10	BJAE	
CC1(CC[C@H](O)c2cccs2)CCCCC1	1980696380	QIBRQYXVSJIQQU-LBPRGKRZSA-N	238.396	4.532	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](CC)CCC(C)C	1986943526	JRKZYGHOIUMQGD-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1)[C@H]1CCC1(C)C	1987991918	CBKWVUDHBUSELP-GXFFZTMASA-N	237.774	4.577	0	10	BJAE	
CCCC1(CC(=O)CCCC(C)C)CCC1	1988426363	YSPDIXSSMSBZSI-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cccc(C)c1	1988795065	PJKIFCZIPKWYNS-CQSZACIVSA-N	217.356	4.542	0	10	BJAE	
CC(C)=C(F)CNc1cc(C)c(Cl)cc1C	1989657642	WQBLETFRQIVWBU-UHFFFAOYSA-N	241.737	4.632	0	10	BJAE	
CCC[C@H](C)COc1cc(C)c(Cl)cc1C	1989926024	HNNPDFBJHDQKRN-JTQLQIEISA-N	240.774	4.772	0	10	BJAE	
Cc1cc(C(=O)[C@H](C)CC(C)(C)C)sc1C	1989977879	YJHLACWXDBGPFU-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC[C@H](CC)C1	1990045845	UTKKVONBWYOEID-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H](C)C(C)(C)CC	1990871165	PWSKHDIFBOFVJE-CYBMUJFWSA-N	227.436	4.569	0	10	BJAE	
Cc1ccc(C)c2c(C3CCCC3)coc12	1995498001	IRYYPHSYEBIJPT-UHFFFAOYSA-N	214.308	4.707	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H]1CC[C@@H](C)C1	1996233529	XBTCAEDIBVKGSP-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CC=CCCN[C@@H](CC)C1CCC(C)(C)CC1	1996592623	CKNDOXUJLSAHBG-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@H]1CCC=CCCC1	1999992869	IWOIQNLLSBDLNQ-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CC12CCCCC2)NC	2001214855	GCGMYLXZKDBJDS-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@@]1(O)CCCCC12CCCCC2	2001597923	YMDRMWCYLAOJDP-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC(=O)[C@]1(C)CCCCC1(F)F	2002581069	FGFAZZDWRVJHOV-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CC[C@@H](CNC2CCCCCCCC2)C1	2003098089	DDVVHLKVJGQTTO-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(C[C@@H]2CCCCCCC[C@H]2O)CCCC1	2003120531	ZVVXCFCVTPXUMI-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCCC12CC2	2005544604	GGBUTTZYWGATAH-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CCCCC12CC2	2005591611	HUQYPLVLRNSSMR-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CC(C)(C)CC)[C@@H]1C	2006981977	RMOJFVOSZWSTCQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)C2CCCCC2)CC1	2007695894	KQYGLUGJNMTKHE-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CC1CC(C(C)C)C1	2007752539	VBMGRIWBBBUYQT-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CC[C@H](CCCCCC2CC2)[C@H](O)CC1	2009408669	VVFCKCKBGNNLEM-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)C1=CC[C@H](C)CC1	2010622070	CXCHIQTTXCGTLN-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(C)c(C)c1	2013264544	NWJBOCNOSGZOCO-HNNXBMFYSA-N	233.399	4.930	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(N)C2(C)CCCC2)C1	2014341244	XMWUYHXWIHDSCT-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCN[C@@H](C)C1(C)CCCC1	2014359373	PRMROGIYORTAEO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
FC(F)c1cccc(CC[C@@H]2C=CCCC2)c1	2015418109	ALAQQZBBXYSAGQ-GFCCVEGCSA-N	236.305	4.913	0	10	BJAE	
CCCC[C@@H](CCC1(CC)CCC1)NCCC	2015596741	UTHOHAPYVNGLNL-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@@H]2CCC[C@@H]2C)CC1	2017663466	TXTCOKZOJJDHSK-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C[C@]2(N)CC[C@@H](CC)C2)CC1	2017732315	ZYVQYKSYCRAXTL-KNIAUWFNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(C)[C@H](N)C(C)C)CC1	2017738974	YBJIVPWMKBSZIR-BZUAXINKSA-N	237.431	4.523	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C2CC(C)(C)C2)CC1	2017772547	RBRQQGBMTXAYBY-JOCQHMNTSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C2CC=CC2)CC1	2017775892	ICPAZDRFIVVNHO-HDJSIYSDSA-N	234.383	4.518	0	10	BJAE	
CCC1CCC(CC(=O)CC[C@H]2C[C@H]2C)CC1	2017777714	KRIOVNAOPQLUTO-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCCC1(C)CC1	2018186263	ZPJIACDHWOBPMU-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CC(C)CCCN1CCCC12CCCCCC2	2019303761	PJJSVYIWFMKGKU-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@@H]1C=CCCCC1	2019503728	RXTKLKOGIINIGY-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)CC(=O)[C@H]1C[C@@H]1C1CCCCCC1	2022416278	BAVLQHLOZAVDPP-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC=C1CCC1)CNCC(C)C	2023257761	WHBBHKJUZCSNPZ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1CCCC(C)(C)C1	2024093530	CGCJOZJOVZAAIX-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CSc1ccc(N[C@H]2CC(C)(C)C2(C)C)cc1	2025019428	KPBIMKGNGOMYIG-ZDUSSCGKSA-N	249.423	4.645	0	10	BJAE	
Cc1ccc(-c2cccc(C(C)(C)C)c2)cc1N	2028089856	KFSFAZBNGCRFGI-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H](CC(C)C)C(C)C)c1	2028255914	USGXTLDXKCHUTA-INIZCTEOSA-N	246.394	4.804	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]2C2CCCC2)CCCCCC1	2028461320	HXDQWHLAXQVMQT-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)c2ccc(C3CC3)cc2)CCCCC1	2028611954	ZFFHNRXUDLMVIW-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@H]1CC12CCC2	2032131943	MUEBOPBHJWKXFZ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccccc1C1(C)CC1	2032242292	FUOIIXWWKQZQDG-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
CC1(C)C[C@H]1CCCNC1(C2CCCC2)CCC1	2033055177	IXMKVLMQZJDBNX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)c1cccc(C(C)C)c1	2036381633	GYMNZFWWTZNLCO-PBHICJAKSA-N	247.426	4.666	0	10	BJAE	
CCC1(C)CC([C@H](N)c2ccccc2C(C)C)C1	2036476893	KUPLGEKMZLAXJK-PWZRNIHTSA-N	245.410	4.636	0	10	BJAE	
CCCCC(=O)CCc1cccc2ccccc12	2036507029	YOUFNMUAJZMAHA-UHFFFAOYSA-N	240.346	4.532	0	10	BJAE	
CC1(C)CC(C[C@]2(N)C[C@@H]3CCCC[C@@]3(C)C2)C1	2036661835	SEYMWKVHVUILCZ-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H]([C@H]2CCC3(CCCC3)C2)C1	2037678143	ITIBHOPHCFYGRU-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@H]1CCC2(CCCC2)C1	2037751429	GWLVPJOMGTZDDK-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](N)CC1CC2(CCC2)C1	2038087534	JANDSWUERTXCKL-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C2=CCCCCC2)CC1	2039378741	WOPJJKHAYSFIFT-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC2(CC(C(=O)CC[C@@H]3CC3(C)C)C2)C1	2039424432	PQSDMYNMLFRLDG-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(C1)CC(N)(CCC1=CCCCC1)C2	2039459997	KDGZCVZUYUMNSK-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@@]1(C)CC=CCC1	2042020155	VAZCVEOFXFKKPQ-SJORKVTESA-N	247.426	4.623	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)c1ccccc1C1CC1	2042275847	VYHGVCBNSLTOFP-GXTWGEPZSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@@H]2CCC3(CC3)C2)C1	2043007799	WEIPSUDNXHBNTP-ROKHWSDSSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CCc1ccc(N2CCCC2)cc1	2044812084	HIGWGWDGCPUZCG-UHFFFAOYSA-N	243.394	4.576	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@@H]1CCC=CCCC1	2045308817	XBCKNPJIBHEMER-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2C[C@H]3CC[C@H](C2)C3)C1	2045449821	LZQZRNXESRVAOR-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(CC(=O)CCCC(C)C)c(C)c1	2045564567	GHFXWWYLWZANDZ-UHFFFAOYSA-N	246.394	4.550	0	10	BJAE	
C[C@@H]1C(CC2(N)CCC3(CCCCC3)CC2)[C@H]1C	2045656843	FKQIEQHUVXVSFQ-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
O[C@@H](C[C@H]1CCC12CCC2)C1=CCCCCCC1	2047945378	BOBJPSWOJHGLKG-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048447183	RJUTVRXGJANKFN-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CC3CCC2CC3)CCCC1	2049788350	JYEUDUFCAQIGEG-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCC1([C@H](CC2CCC3(CC2)CC3)NC)CCC1	2049857036	PLMLEENBYDIMKC-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)C=CCCC1	2049999156	AZMQGERQBIPSAU-JYYAWHABSA-N	246.394	4.518	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@H]3CC[C@@H]32)CCCCCC1	2052307892	KCAAJDHMLKAOSW-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(N[C@H]2CCCCC23CC3)CCC1	2053325864	KKOLZJXWLKPZJA-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CC(C)(CC[C@@H](N)[C@@H]1CCCCC12CC2)C1CC1	2053421673	XFTWBALZKUBWFN-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H]2CCC3(CCCC3)C2)CCC1	2055554848	MOQJGCOOMBWNPD-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
C[C@H](NCC1(C)CCC(C)(C)CC1)c1ccoc1	2056539274	HWWPWDYQZXNSIM-ZDUSSCGKSA-N	249.398	4.537	0	10	BJAE	
Cc1ccc2ccn(CC3CC(C(C)C)C3)c2c1	2056669359	IUYCMNGPIGMMKC-UHFFFAOYSA-N	241.378	4.632	0	10	BJAE	
CC=CCCCN[C@@H]1CCCC2(CCCCC2)C1	2059221925	UEJFOIKZEAIJQJ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1cccc(C)c1F	2059225025	IOWJOBUSTOYIRJ-OAHLLOKOSA-N	249.373	4.531	0	10	BJAE	
CCC1([C@@H](NC)C2=CCC(C)(C)CC2)CCCC1	2061140355	MQKYQTCFULHVTN-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@@](C)(N)CC[C@]23CCC[C@@H]2C3)CC1	2061601492	HTRZVVOFVYKXPX-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CC[C@]23CCC[C@@H]2C3)C1	2061623208	QFAQDCPNZGBSDT-NCOADZHNSA-N	249.442	4.502	0	10	BJAE	
CCCC1(NCC2C[C@H]3CCC[C@@H]3C2)CCCC1	2063470874	GVJGQSNGPCQCRB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NCCC1(C)CCCC1)c1occc1C	2063679501	ZXJNGLNMZGPIFM-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CCCN[C@H](CC12CCC(CC1)C2)C1(C)CCC1	2065302637	JUKGCFGURXNCRH-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
O[C@H](CC1=CCCCC1)CC12CCC(CC1)CC2	2065303668	UBTOGCKCVHSEKC-ARWYELJZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@H]1CCCC12CCCC2)C1(C)CCCC1	2067571836	WREKEYGSCQRMLL-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCC1(C[C@@H](NC)c2ccccc2C)CCC1	2069342542	PUEWVURUIRSSKF-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1cccc(C2CCC2)c1	2071488187	IZXPEPJLOXGHHB-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2CCCCC23CC3)CCC1	2071915054	JSYZQVLWSBQQPG-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(CC2(N)C[C@@H]3CCC[C@H]3C2)CC1	2072803373	HMXGYTAUQQHAQR-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H]1CCNC2(CCCCC2)C1	2074137591	BYDPTNLCFFQSCN-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CCC3(CCCC3)C2)C1=O	2076440879	VPFUWSQORUXZSP-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)C1=C[C@H]2CC[C@H]1C2	2081677482	MSGKGCGGHQZQQL-QBYUYEEZSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@]1(C[C@H]2CCCC(C)(C)C2)C=CCC1	2082985984	JXUOCJYUPGPZSD-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)C[C@@H](N)CC1CC2(C1)CC1(CCC1)C2	2083612522	BDBNQUHFBCRDCU-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(C[C@H]2CCC=CCCC2)C1	2085308431	REEFEORNEMMAET-GVDBMIGSSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC[C@H](CC/C=C/c2ccccc2)C1	2210663077	XGXRKZNWLFCTHD-VUNQMSRZSA-N	214.352	4.916	0	10	BJAE	
C(=C/c1ccccc1)\CC1[C@H]2CCCCC[C@H]12	2213825253	RDLRJDGBRLQXOP-MOVUHUBBSA-N	226.363	4.916	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)CCCCC1CC1	2214566567	XWYXZZYVVWZBKU-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@@H](N)C1CCCCC1	2214767821	PRMRLBPKHMMBIO-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@@](C)(NCCCCCC(C)C)CC1	2215794338	UFIHBPMRLOPAAX-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
N[C@H]1CCC[C@@H](CCCCCCCC2CC2)C1	2216880077	QJPWFRZVFCGCRY-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CC[C@H]2CCC[C@@H]21	2218719846	CHDCBSDQWDEGPY-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@]12CCCC[C@@H]1C2	2218728403	URKFCJKIFVUCOV-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
C1CCCC(NC2CCC(C3CC3)CC2)CCC1	2218897289	UCSWGUVONDKWSJ-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@@H]1CC=CCC1	2220044416	FKXVXAOJDNGQMA-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)CC1(C)CC2(CCC2)C1	2221018393	ZVNHQMALBMVNDN-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@@H]2C(C)(C)C)CC2(CCC2)C1	2221074845	AEVHBDBCRDPKMP-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@H]2CC3CCC2CC3)C1	2221075796	KKEUZFDLIJURQI-JXQTWKCFSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@]1(C)C[C@@H]1C)[C@]1(C)CC=C(C)CC1	2221634747	CSHJJBUUSHHDQA-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1([C@H]2CC[C@@H](C)C2)CC=C(C)CC1	2221668450	PCCSQVICYVDCOC-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](NC2CC3(CCC3)C2)C1	2222261430	CAKSSFXVXBQROK-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1C[C@@H]2CC[C@H](C1)N2	2223158654	JONMEHCPNPJJEV-BJWYYQGGSA-N	249.442	4.658	0	10	BJAE	
Fc1cc(CCC2=CCCCC2)ccc1Cl	2243239327	WNDLMJHVCGTMNI-UHFFFAOYSA-N	238.733	4.912	0	10	BJAE	
Cc1ccc(CCC2=CCCCC2)cc1C	2243239610	XMWIXJVOYHMZOP-UHFFFAOYSA-N	214.352	4.736	0	10	BJAE	
CCC[C@@H](CC)Nc1c(F)cc(Cl)cc1F	2243341184	XWYJUCMUGSYEBZ-SECBINFHSA-N	247.716	4.609	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1CCC[C@@H](C)C1	2244785261	XKEBCAKNDIAMCG-MCIONIFRSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](CCC[C@H](C)CCCC(C)C)NC	2244844521	BINCOCBKVIEQGK-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@](C)(O)CC[C@@H](C)CCCC(C)C	2244851735	MGUPXUJYBOVIPA-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@H]1CCCCC12CC2	2246626896	NDRZRQBHASCBPP-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)CC1CCCC1	2247116380	ZFCWIVRYITZHQJ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](O)CC1(C)CCCC1	2247172538	ATQAXMPDOZMBHA-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)CCCCC[C@H]1C[C@@H]1C	2248819301	IYTOYOXVCIYHFG-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1C[C@@H](C)C[C@H]1C	2250469610	QJLMRWOUWCWLPV-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2C=CCCCCC2)C1=O	2251709124	VPZNQCOUAYRVIQ-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC(C)CNCCCCCCCCCCCF	2253276399	ASTBPOPXZCBTTP-UHFFFAOYSA-N	245.426	4.712	0	10	BJAE	
N[C@@H](CC[C@H]1CCCCC12CC2)CC1CCCC1	2253876234	VRNZWKACOJUXHJ-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CN(CC1CC2(CCCC2)C1)C1(C)CCCCC1	2254125334	PEZKDNAVQOVGEE-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
Cc1cccc(F)c1C(=O)CCCC[C@@H]1C[C@@H]1C	2254517951	ATZCSLBSJNSQCF-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)[C@@H]1CCCC12CCC2	2254547100	ZTQDISDTKQKSCL-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1(CNCC2=CCCCC2)CCCCCCC1	2255093577	ZKJVOGNVZLZTMA-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
N[C@]1(CC2=CCCCC2)CCC[C@H]2CCCC[C@H]21	2255142169	AGEHHIBNLOHJPD-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1cc(C2CC2)ccc1F	2259108797	UHZZVEVCKRMQJT-SMDDNHRTSA-N	247.357	4.551	0	10	BJAE	
CC[C@H](Nc1cc(C2CC2)ccc1F)C1CCC1	2259124960	CBXVWISQCFPDRE-HNNXBMFYSA-N	247.357	4.694	0	10	BJAE	
CC(C)CCC[C@@H](C)CCn1cc(C2CC2)cn1	2259608999	SFFAJUIDXTXVJP-CQSZACIVSA-N	248.414	4.613	0	10	BJAE	
CCC1(C[C@H](NC)[C@@]23CCCC[C@H]2CC3)CCC1	2260486016	IKBTWEBHQSUHQU-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CCC(N)(C[C@]23CCC[C@@H]2CC3)CC1	2260667311	CDXGUKQGNQAATB-JCCCHCCOSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](O)c1cccc(CC2CC2)c1	2260910274	NQFBOKAHGJLFFC-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)C2(C3CC3)CC2)C1	2261263224	GSNBFEGUWNPLGL-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1CC(CCC(=O)CC2CC(=C3CCC3)C2)C1	2261513438	MGAJYZZPULSKPR-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CCCC2(CC2)C1	2300673939	ONBQZCOPZRKOHX-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC=CC[C@@H](NCCC)C1CCC(C)(C)CC1	2300871698	IFYXUEDOVANQDQ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](C)[C@@H](C)C(C)C	2301701566	QHVZUGCLXSTFIE-XHSDSOJGSA-N	241.463	4.815	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)[C@@H](C)C(C)C)c1	2301962433	SYLHQBKQGXFOKA-KBPBESRZSA-N	233.399	4.903	0	10	BJAE	
Cc1sccc1CC12CC3CC(CC(C3)C1)C2	2302254323	LCXLXRYVKDDYCF-UHFFFAOYSA-N	246.419	4.815	0	10	BJAE	
CC[C@H](CNCCCC1=CCCCC1)C(C)C	2302308630	CIYLJIXEUXOWOE-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(O)CCCC1=CCCCC1	2302362020	UMZPXHNQODDFPX-CVEARBPZSA-N	236.399	4.598	0	10	BJAE	
CCC1(NC[C@H]2CCC(C)(C)C2)CCCCC1	2302676983	AAQZMUPVCDBLCZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1CCC(C)(C)C1	2302766801	ZMLFQHYUVCFSAV-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC[C@H]1CCC(C)(C)C1	2304448466	YNDMCRVFHIULOM-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CC(=O)CC2(CCC2)C1	2307897995	GSIMFTNJVDVGGR-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CC[C@@]23CCC[C@@H]2C3)CC1	2310373703	FNSQVDLNXAOICA-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@@H]2C[C@H]2C(C)(C)C)cc1	2311498634	FNBMHNULAJPYEL-BZUAXINKSA-N	246.394	4.526	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)C[C@@]12CCC[C@@H]1CC2	2313344779	XRJNQORDDYSKPW-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
CCn1cc(CC=C(C)CCCC(C)C)nc1C	2316572408	CMVBOKMDSDWQIH-UHFFFAOYSA-N	248.414	4.527	0	10	BJAE	
N[C@H](CCCC1CCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316698339	LVAZHXWRJDSQFY-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1C[C@H]2CCC[C@H]1CC2	2316868822	BELGXTYIHWMARR-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C)c1ccccc1C1CCC(C)CC1	2317105058	FWBBCGUUYLXLHA-SLTAFYQDSA-N	245.410	4.651	0	10	BJAE	
CC(C)CCCc1ccc2c(c1)CCC(C)(C)O2	2318387942	UUADMCCOJUBTRB-UHFFFAOYSA-N	246.394	4.769	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@]12CCCC[C@@H]1C2	2318502822	LBKMEIRMVNISBZ-WBVHZDCISA-N	246.394	4.807	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)C[C@H]2CCC(C)(C)C2)C1	2319115258	KETPCQDTCSYHBG-UKMLZYKCSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2C[C@@H]3CCC[C@H]3C2)C1	2319131199	MNPNYOLZYJXYRE-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@H]2CC[C@@H]2C(C)(C)C)c1	2320213123	INEOTFWKYKFXHK-GJZGRUSLSA-N	244.378	4.558	0	10	BJAE	
CC1(C)CC=C[C@](N)(C[C@@H]2CC[C@H]2C(C)(C)C)C1	2320250899	VJRKLRRIVYPGAV-VBQJREDUSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(N)CCCC3(CC3)C2)CC1	2320339305	CPBBIDOHLODPTC-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2C[C@@H](C)CC[C@@H]2CN)CC1	2320389562	BEZFJDVQXNWJRW-DXEWXGHRSA-N	249.442	4.524	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@@H]2CCC(C)(C)C2)CC1	2320394412	PIXUWKHJCPJHNM-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)C(C)(C)C(C)C)c1	2327672197	AQYMZMPWZZMTNM-MRXNPFEDSA-N	247.426	4.800	0	10	BJAE	
CCCCCCc1ccc(C(N)(CC)CC)cc1	2327898271	GJNURDPICMHWAN-UHFFFAOYSA-N	247.426	4.783	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)NC2CCC(C)CC2)c1	20559317	UYYCZFHYGANYEI-DSSZZKGTSA-N	245.410	4.533	0	10	BJAE	
CCC[C@@H](Nc1cccc(C)c1)c1ccccc1	21800264	KUYWGUAPJFBQLV-QGZVFWFLSA-N	239.362	4.948	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1CCCCC1	71085161	NTFZROKEVJBKKG-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2cc(F)ccc2C)C1	71154708	DDJMGLQRMZPOLH-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
C[C@@H](Oc1cccc2ccccc12)c1ccccc1	85152039	UPCFYHGRUGIAEM-CQSZACIVSA-N	248.325	4.980	0	10	BJAE	
CC1(C)CCC[C@@H](NCCC2CCCC2)CC1	86904620	VFNPKJQEYDQUFR-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C	87163628	JNHYTHSEEKORKR-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(COc2cc(Cl)ccc2C)cc1	88765171	LVOKHGKKUBHKSD-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCC[C@H]1CNc2ccc([C@H](C)CC)cc2C1	109608926	INQRVIKSDKKPSV-CHWSQXEVSA-N	231.383	4.584	0	10	BJAE	
CCCN[C@H](CC1CC1)c1ccc(C(C)C)cc1	110218964	XCDCKZQYKNBBOC-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Sc1ccc(N)cc1C	111744552	IPRYBYYSSATOMU-SWLSCSKDSA-N	249.423	4.638	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C(C)(C)CC	126145190	AQIMFXOMMHXXEE-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H](c2nc(C3CC3)cs2)C1	132007367	HDXVKBVICAKVGX-JQWIXIFHSA-N	235.396	4.704	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](C(C)C)CC[C@@H]1CN	132190323	HQHYFEIHCYFGEY-HRCADAONSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CC[C@@H]1CNC(C)C	133606867	IBZZPRJEUVJOGS-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@]1(N)C[C@@H](C)CC[C@@H]1C(C)C	165668394	SPDKRQIZRCJYGU-XHSDSOJGSA-N	239.447	4.602	0	10	BJAE	
CCCCC1CCC([C@H](N)C2CCCC2)CC1	167468479	CQFMEMZZTLXNJN-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)NCC1(C2CCCCCC2)CCC1	168077024	AKRXRILUYUXIKK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC1([C@H](N)c2cc(C)c(C)cc2C)CCCC1	168685383	MXRKVCOCJXKNQF-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
C[C@@H]1C=CCC([Si](C)(C)C)=C1[Si](C)(C)C	195805967	DIOCXDLKNIFEAN-LLVKDONJSA-N	238.523	4.634	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C1=CCCCCC1	203418936	KPXLRAGJONCUIV-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCC(CCC)[C@H](NCC)c1ccccc1	211860612	PSIUDRIMXTYQEK-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@@H](C)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	216562109	QMADIGPCDWCJNR-ZJIFWQFVSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CCC)Nc1ncccc1Cl	226087904	OYAMMRWYCRYCGX-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1ccc(Cl)c(C)c1	229272917	PATWOVHNGVTGDA-QMTHXVAHSA-N	240.774	4.508	0	10	BJAE	
Cc1cccc(C(=O)CCCC(C)C)c1Cl	229451949	OUWCCNUIPKMZNS-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC(C)SCc1csc2cc(F)ccc12	257895440	AMEJDRNFVHXGGX-UHFFFAOYSA-N	240.368	4.682	0	10	BJAE	
CC(C)n1cc([C@@H](C)C#N)c2cc(Cl)ccc21	260031762	NBMKSMKUWCVIAS-JTQLQIEISA-N	246.741	4.503	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCCC1=CCCC1	300701823	SGIQQIDRJDOEHL-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H](CCCC(C)(C)C)NCC	300816565	GPULHUCAYRINRI-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCCCC1CCC(N)([C@H]2C[C@H]3CC[C@H]2C3)CC1	302274216	ATKLNFJWHDFDOH-IEKCDTDMSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](c1cc(C)c(C)o1)C1CCCCCCC1	302319348	GUBCZXQONFZZQS-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
CC[C@H](N[C@H]1/C=C/CCCCC1)c1cccs1	302356259	GHOMYZJWMJMHAH-HXUSNMGPSA-N	249.423	4.678	0	10	BJAE	
Fc1c(C(F)F)c(Cl)cc2sccc12	307562842	WGRMBHVIFBBQRS-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)c1sccc1C	307998746	NFYFVUFOYSEGJT-CHWSQXEVSA-N	240.412	4.552	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@@H](CC)CC(C)C	308099324	QGKPYSDFKQCTTP-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H](C)C(C)C)cc1	310462840	FSTBOSDHVJOFLC-UONOGXRCSA-N	233.399	4.904	0	10	BJAE	
CC[C@@H]1CC[C@@](CC=C(C)C)(CNC(C)C)C1	318134818	XRCKDVGORMWLEO-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
O=C(CC/C=C\c1ccccc1)CC1CCCC1	323824435	RNIPTXYUYWPWJC-POHAHGRESA-N	242.362	4.629	0	10	BJAE	
CN[C@@H](CC/C=C/c1ccccc1)CC(C)(C)C	324299323	QDTXKVAAVITFCA-RCLKMUNOSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@H](c1cc(C)cs1)C(CC)CC	379088486	ZYXQXIORSWWZKY-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CC1CCCCC1	383319810	XLVFNFCHNKIEPM-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
COc1cc(C)ccc1NCCCCCC(C)C	383763636	SJAQUUJXAFOOPR-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CC(C)c1csc([C@@H]2CCCC[C@H]2C)n1	385007023	MUAXRIKTKGRQGL-GHMZBOCLSA-N	223.385	4.560	0	10	BJAE	
CC/C=C\CN[C@@H](C)c1ccc(CCCC)cc1	385041005	REHIDVBCPSTQDA-LYASGUKUSA-N	245.410	4.646	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@H]1CC[C@H](CC)CC1	393285544	ABEYRJQYRMPLHV-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)CCN[C@H](C)c1ccc(C(C)C)cc1	394393408	YWJZTVHIVNDAHY-LSDHHAIUSA-N	247.426	4.897	0	10	BJAE	
C[C@H](C[C@@](C)(O)C1CCCC1)C1CCCCC1	395670228	LVIGSONOMRURBC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](Nc1cscc1C)c1cccc(F)c1	395719878	NCDSBQPGFICLNP-ZDUSSCGKSA-N	249.354	4.759	0	10	BJAE	
CCc1csc2c(F)cc(C(F)F)cc12	396192161	DSDGAJYMKXEDLV-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
C[C@@H](Nc1ccc2sccc2c1)[C@H]1CC1(C)C	397568232	BQSUUOHJXRXNQX-ZWNOBZJWSA-N	245.391	4.748	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1CC[C@H]2C[C@@H]2C1	403119198	MYWTYLNSROMXAB-ILXRZTDVSA-N	244.378	4.625	0	10	BJAE	
CCC[C@H](C)[C@@H](CCC(C)(C)C1CC1)NCC	405837926	WFFRLFHJVXEQKI-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(CCn1ccc2cc(F)ccc21)C1CC1	406085498	ZJNYXVXHRGBXCO-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
CC(C)c1cccc([C@]2(N)CCC[C@H](C)CC2)c1	688911278	CENLKHYLROXATQ-YOEHRIQHSA-N	245.410	4.564	0	10	BJAE	
CC(C)NC[C@H](C)[C@@H](C)c1cccc(C(C)C)c1	688971923	VMQFMAOFFJPMIU-LSDHHAIUSA-N	247.426	4.548	0	10	BJAE	
CCc1ccc(CC)c(NCC[C@H](C)CC)c1	689505631	ODPDOUIFGSLESU-CYBMUJFWSA-N	233.399	4.660	0	10	BJAE	
CCSc1cccc(N[C@H](C)C2CCCC2)c1	689701701	JXVBPPMGZYQYTQ-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CCCC[C@](N)(CC)[C@@H]1CCC[C@@H](CC)C1	690430163	MLRAOTZPTWAJRC-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](c1cccc(C(C)(C)C)c1)[C@H](C)CC	691650162	FZTNUMTUVSCBLD-CJNGLKHVSA-N	247.426	4.681	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1csc(Cl)c1	696637153	YGYQXQPETOGLTJ-JTQLQIEISA-N	246.803	4.651	0	10	BJAE	
CCN[C@@H]([C@H](C)c1ccccc1)C(C)(CC)CC	701175107	UWFPXQFNWOUXPF-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C(C)(CC)CC)C1	701291934	RVQIXPVBSLYCKC-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccc(C)cc1Cl	704532438	WPCKDQWWWQYIPH-RISCZKNCSA-N	240.774	4.508	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@@H]1CCCC[C@H]1C	704880220	VTWZHTFCAAYQCD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)C[C@H](C)CC(C)(C)C	709138381	AGWDBKVWVGDQTP-NYTXWWLZSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C[C@H](O)C(C)(C)C1CCC1)CC(C)(C)C	709170760	XESRVMJDZIVLIG-JSGCOSHPSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)[C@@]12CCCC[C@@H]1C2	709231381	YEAPTAWKJSSUFV-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C[C@H](CC)C(C)(C)C	711181638	VTPIKYRDYPQOJI-IHRRRGAJSA-N	228.420	4.636	0	10	BJAE	
CCC(C)(C)C[C@](N)(CC)CC1CCCCC1	713247333	IYQCZIYHJXBRPN-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCC(C)(C)CC1=O	717518056	QVEMZGHLFZQWRC-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CCC)NCCC(C)=C(C)C	718602710	CZALANWRNQMIQF-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1CC2CCC1CC2	719265550	IVABMGMSMDPAIC-QDIHITRGSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCCC[C@@]1(O)C1=CCCCCC1	719273566	OQQOGYXJGCUPSZ-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)C(=O)CCC(CC)CC	1900709702	NEGXLNMUXXWWBF-UHFFFAOYSA-N	226.404	4.988	0	10	BJAE	
C/C=C/CCCc1cc(Cl)ccc1C	1900754134	PQJQEJNQLJSNPW-ONEGZZNKSA-N	208.732	4.547	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1CCCCCC1	1901061633	UQWUXYILIOPJHO-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CC=C(C)C)NCC	1905444960	NWIHGHRWGXKRST-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCC[C@@H]2CC[C@@H]21	1907049282	HMSXQIJLYRSISB-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(C)c(C)c1	1911966596	GJJCQFAGOVGTFQ-CQSZACIVSA-N	202.341	4.763	0	10	BJAE	
CCC=CC[C@@H](CC)c1cccc(OC)c1	1911978161	YVQCDJXNVRERTM-CYBMUJFWSA-N	218.340	4.545	0	10	BJAE	
CCC=C[C@H](C)Cc1ccc(Cl)c(C)c1	1912095897	NULHQPNVMPGQAM-NSHDSACASA-N	222.759	4.793	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)c1sccc1C	1912101928	JXHRPRHSHZTNJQ-CQSZACIVSA-N	249.423	4.620	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CC3(CCCC3)C2)C1	1912603445	FFCMAYNNYBXVGX-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2CC3(CCCC3)C2)C1	1912603446	FFCMAYNNYBXVGX-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](C1CCCC1)C1CC2(CCCCC2)C1	1912632353	BUBXYHQKDMHBMK-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C1=C(CCN[C@@H]2CCC3(CCCC3)C2)CCCC1	1916442815	RCBZGTQNGQUULV-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CCCCCC[C@@](N)(CC)c1ccc(C)cc1	1919448058	YDWONATUKZTADA-INIZCTEOSA-N	233.399	4.529	0	10	BJAE	
CCCCCC[C@](C)(O)CCCC1(C)CC1	1919972629	IQWHJCIXLLIDGU-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCC[C@H](C)C[C@@](N)(CC(C)C)c1ccccc1	1920483131	AKMHMYWXGAQKBE-RDJZCZTQSA-N	247.426	4.713	0	10	BJAE	
CCCC1CC(CNCC)(C[C@@H](C)CCC)C1	1921206599	GSQAVWAIHRJUET-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC[C@H]1CC1(C)C	1921431270	BPSZCSVYSONUNH-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC1(CC(=O)[C@H]2CCCC23CCC3)CCCCC1	1921626492	CAJICUZBSQZUNI-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(CN)C1CCCC1	1924073722	XKAMFXXFKFRCHD-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
CC1(C)C(C[C@@H]2C=CCCCC2)C1(C)C	1925814259	JKFFKSFAGMJSAR-GFCCVEGCSA-N	206.373	4.805	0	10	BJAE	
CC(C)c1cnc([C@@H]2CCC(C)(C)C2)s1	1930908551	PYAHIQSXPCAEHW-SNVBAGLBSA-N	223.385	4.560	0	10	BJAE	
CCC(F)(F)CCCCC(C)=C(C)C	1932980880	RBHITLMLZNTHCH-UHFFFAOYSA-N	204.304	4.948	0	10	BJAE	
CC[C@@H](C)CNC1CCCCCCCCC1	1938722376	LCRKQQUVCYFTBR-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)[C@H](C)CC(C)C	1939046352	JRINYTKZUMTDCB-UKRRQHHQSA-N	228.420	4.636	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)C(C)(CC)CC	1940852066	BISUWQLXBQPKEY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CCCC1(C)CC1	1940872788	AKVYRJGHORGBHO-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C(=O)CC1CCC(C)CC1)C(C)C	1941263616	DBKAFDRRYZBCIX-YMAMQOFZSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCCCCCC1CC1	1941581085	GZUQPLKJLKWPRU-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](NCCCCCC2CC2)CC1	1941581763	ODAUOCZTHWOGLF-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CCCCCC1CC1	1941591393	KUDOHNWCMHQCCL-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CC1CCC=CCC1	1941825533	IOKKYXVXTZPVET-HZPDHXFCSA-N	238.415	4.556	0	10	BJAE	
CN[C@@H](CC1CCCCC1)[C@H](C)CCC(C)C	1942659472	JSVYRDODPAHMDT-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C1=CCCCCCC1	1948950662	IYTRGVQDUVLOTL-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)CC(N)(CCCC(C)(F)F)CC(C)C	1949012071	TVEKZLDHEIIFFH-UHFFFAOYSA-N	249.389	4.602	0	10	BJAE	
CCCCC[C@](C)(N)c1cccc(C(C)C)c1	1949014103	YCSULBUKZLGGEX-INIZCTEOSA-N	233.399	4.564	0	10	BJAE	
CCC(O)(CC)CC1CCC(C(C)(C)C)CC1	1949793060	NFIPDMYKZNMUIF-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@H](C)NCCC1CC2(CCC2)C1	1949859979	PZUKCADDNOWVFS-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC[C@@H](CC1CCCCC1)NC	1949914095	CZIKXZIPLVGEBK-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccc(C2CC2)cc1	1950110097	HIXQXQFABZZWEP-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CCC(C)(CC)C(=O)C(CC)(CC)CC	1959914070	DBAYFOVMAQBICQ-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CC(C)C[C@H](C)NCc1ccccc1C(C)(C)C	1964043677	WRZRKLRKHNAKLV-AWEZNQCLSA-N	247.426	4.508	0	10	BJAE	
CC1(C)CC[C@H](NC2CC(C3CCCCC3)C2)C1	1967792644	FVBREHQLHRZMFZ-PCKAHOCUSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCC1)NC[C@@H]1CCCCC12CCC2	1967865109	NVKMZTXSMUGTIG-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CCC2(CCC2)C1	1968286545	YBMLIMXYHNLGOL-LBPRGKRZSA-N	249.785	4.783	0	10	BJAE	
CCCCC1CC(Nc2ccc(C)cc2F)C1	1968326774	NEVGMQYTMCTKCS-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCCCN(CC)Cc1csc2ccccc12	1968351360	HSYHVAUMOKVCFF-UHFFFAOYSA-N	247.407	4.523	0	10	BJAE	
CC(C)[C@H](C)N[C@@H]1CCCC2(CCCCC2)C1	1968369567	WPFHVERQXUARSB-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)c1F	1969472567	YKQXEHXJBOIVDH-XNIJJKJLSA-N	249.373	4.617	0	10	BJAE	
CC(C)CC1(CN[C@H]2CCCC3(CCC3)C2)CC1	1971559072	OGOMOSGNZVNXNF-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C[C@H]1CCN1[C@@H]1CCC2(CCCC2)C1	1973455405	XUYPZQUKCLPKOZ-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CCC(C)(C)CC(=O)c1cc(C(F)F)cs1	1977101610	QBMAMHYJNUMHOZ-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CCC[C@H](C)CC[C@H](N)c1ccc(Cl)cc1	1980691073	YHHGKLJWHGZYHC-FZMZJTMJSA-N	239.790	4.556	0	10	BJAE	
CCc1cnc(C2(C)CCCCCCC2)s1	1981426879	HYLFXNPORWCAPV-UHFFFAOYSA-N	237.412	4.708	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)C[C@@H](C)C(C)C	1988300098	OWARWLWNFTVQAK-SNVBAGLBSA-N	238.758	4.513	0	10	BJAE	
CCCC[C@@H](CC)NCCCCCC(C)C	1990049739	RRHJYTJUTPCWMB-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCCC[C@@H](CC)NCC1(CC)CCC1	1990093555	MIAYVEUQNGRKON-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@](C)(O)C[C@H]1CCCC(C)(C)C1	1994036019	FCERTXKOCMVWBP-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
C[C@H](NCCCC1(C)CC1)C1(C)CCCCC1	1995987855	WCKWNWCOPZXXTO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@H]1CCCC[C@H]1C	1996552724	CRLGSIYDUGSLGC-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@@]1(C)CC=CCC1	1997552923	UXNXKVLCGGQBAP-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCC=CCCC2)cc1	1999991859	CWCMANUANLIBMR-OAHLLOKOSA-N	229.367	4.543	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)CC1CC(C)C1	2000511548	QLPHXGXKUUCKHC-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNC)C[C@H]1C=CCCCC1	2000519685	YLVWFQKVVTWMCQ-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC(C)CN(CC(C)(C)C(C)C)C1CCCC1	2000908383	XLTOUURSXLULFN-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@H]1CC12CCCCC2	2001218748	XZJICZHSVKWRKL-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(CCCCNCC(C)C)CC1	2002888225	NKFSAKFAODHEKM-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)[C@H]1CCC[C@H](C)C1	2003012460	ADPLKRCRERMCEC-GVRJEKJASA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@H]1CC[C@H](C)CC1	2003103900	OQJGNLBWOBTPGL-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCCNC[C@H]1CCCCC1(C)C	2005582537	HPFLFFZRGVFTRI-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@]1(CC(C)(C)C)CCCCC1(C)C	2005584810	ZIOSRQMWEVWWTB-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@]12CC[C@@H](Nc3ccc(Cl)cc3)[C@@H]1C2	2009130406	JTZKDBFRSPHKIX-RRFJBIMHSA-N	249.785	4.577	0	10	BJAE	
CC=CCCC[C@]1(N)CCC[C@@H](CC(C)C)C1	2009569109	LDHLRWFNPILMKG-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC1(CC[C@@H]2C[C@H](C(C)(C)C)CCC2=O)CC1	2009605387	MVTQHVVWWFBJTR-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@H](O)c1sc2ccccc2c1C	2014294139	UCKJKLZJHPYJMR-CQSZACIVSA-N	248.391	4.679	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)C1(C)CCCC1	2014334643	MNGJFVDZRDVUEX-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@H](C)C1(N)CC(CC(C)(C)C)C1	2014656576	PJXMICKMCUKXBR-HLIUYOAVSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](CNC)(CC(C(C)C)C(C)C)C(C)C	2015401511	STIZTVKDPINGJT-INIZCTEOSA-N	241.463	4.577	0	10	BJAE	
CCCC1(CN2CCCCCC[C@@H]2C)CCC1	2015584005	BDTHXAVWNZBSRS-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCC1(C[C@](C)(O)C2(C)CCCCC2)CCC1	2015590796	BLWJCXXULRZSKT-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(O)CCC=C(C)C)CC1	2016149591	KZCIMWLJDIIHTK-GDBMZVCRSA-N	236.399	4.620	0	10	BJAE	
CCSc1ccccc1N[C@H](C)C1CC=CC1	2016327192	NCROUNBIIAPCDO-GFCCVEGCSA-N	247.407	4.565	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H](C)CC(C)(C)C	2017473930	YVPGCGVXDUAMLE-HIFRSBDPSA-N	239.447	4.783	0	10	BJAE	
CCC(CC)CCN[C@@]1(C)CCCC(C)(C)C1	2017612365	HYHMMIUYUWQMPO-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@@]1(C)CCCC(C)(C)C1	2017622624	KMUNRBKOQIKTIB-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(O)C2CCCC2)CC1	2017652702	KASVFJVTFNJKSI-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C[C@H]1CC[C@H](C)CC1	2017656224	HASJAADQWLGQLU-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C)[C@H](N)C(C)C)CC1	2017735825	GKPCVLKKWWODIP-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)CC1(CC)CC1	2018992301	PSIMXORJCYMKNU-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)N(C)[C@H](C)C1CCC(C)(C)CC1	2019306100	RQDSKLKVLINYPG-CYBMUJFWSA-N	239.447	4.712	0	10	BJAE	
CCC[C@H](C)N(C)C1CC(C)(C)CC(C)(C)C1	2019306161	SJPXDERDPIZHRW-ZDUSSCGKSA-N	239.447	4.712	0	10	BJAE	
CCC(C)(C)CCN(C)CCCCCC(C)C	2019343090	VWAWVPOOQKJLJI-UHFFFAOYSA-N	241.463	4.961	0	10	BJAE	
CC(C)CCCCCN1CC[C@@H](C(C)(C)C)C1	2019343400	ZOFJIPBDPHUJGH-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CCC(C)(C)CCN1C[C@H](C(C)C)CC[C@H]1C	2019378825	ALGVSJWYNJVMLN-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC(C)(C)C1=O	2020394735	WJRWGEHLRDHILA-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC=C(CC)[C@@H](CC(C)(C)C1CC1)NCCC	2020964632	IKTTXQLEUYNFQL-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@@H]1C[C@@H]1C(C)(C)C	2022447118	CHQJAIXTWILURW-XEZPLFJOSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](C)NCCCCC(C)(F)F	2023297919	UUEBBZBLBFHVAR-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
C[C@H]1CCCC(=O)[C@@H]1CC1(C(C)(C)C)CCC1	2024613197	MKIAIMRRBTVZBI-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1ccccc1C1CCC1	2028262866	KWAUKOHLOXPBEW-RHSMWYFYSA-N	245.410	4.636	0	10	BJAE	
C1CCCC(CCN[C@H]2C[C@H]3CC[C@H](C3)C2)CC1	2028789759	TWTOTGZTUZLZRV-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H](NCCCC2CCC2)CC2(CC2)C1	2030282294	VJUJMSXALQPJES-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CNCCC1=C[C@@H](C)C1CCCCC1	2032536573	FYTVBSCVLMZFEK-PBHICJAKSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc(NCC(C)(C)C2CCCC2)cc1	2034015010	ADOXPTOMHGZYMM-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CC1CCCCC1	2037102145	RIAPBYVKNFYBCF-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1cc(C)c(C)cc1C	2037168416	HGIAVGCEEFGYRV-QGZVFWFLSA-N	245.410	4.748	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCCCC12CCCC2	2037172165	RTBUUDMNQQUCIG-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C2CC3(CC3)C2)CC1	2037306085	YBINLXNJENTDFL-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)[C@H]1CCC2(CCCC2)C1	2037583206	NKBXNAQMWLMAOB-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](NC1CCC2(CC1)CC2)C1(C)CCCCC1	2039861315	DJNVVGKLYOSXMW-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1(C2CC2)CCCCC1	2042948934	ONUIZZCMYWJGGC-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC1C[C@H](C)N(C[C@@H]2CCC=CCCC2)[C@@H](C)C1	2045312750	QHFHWCIUTMMLKZ-YESZJQIVSA-N	249.442	4.632	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC=CCCC1)C(C)(C)C1CC1	2045316684	GJNSLRKFEPOVPA-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NC[C@H]1CCC=CCCC1	2045320575	NWCYKAHFVSGZEK-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC[C@H]1CCc2ccccc2N1)C1CCC1	2045879131	GLNOPFALQCURGB-BBRMVZONSA-N	243.394	4.630	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@H]1CC12CCCCC2	2047055986	OZFPNEZRMDCSOU-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
O=C(CC[C@@H]1CC12CCCCC2)c1ccccc1	2047062864	RCZZRVQJQUSGJU-OAHLLOKOSA-N	242.362	4.620	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@H]2CCC23CCC3)CC1	2047956993	VQXQHCJIJHNOLQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2048374253	RUQCXLOXZVRUHH-SCAQPMJSSA-N	248.410	4.742	0	10	BJAE	
CC(C)C1CC([C@]2(N)CCC3(CCCCC3)C2)C1	2048618682	HXIQYBAQVLXFNC-DQPZFDDXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@H]2C=CCCCC2)C1	2049492184	GUKRYYXCNMFBQP-DOTOQJQBSA-N	249.442	4.668	0	10	BJAE	
Cc1ccccc1[C@H](N)C[C@H]1CCCC(C)(C)C1	2050451769	XSVMUSMWHRTUQR-GDBMZVCRSA-N	245.410	4.601	0	10	BJAE	
Cc1ccccc1[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2050451771	XSVMUSMWHRTUQR-HOCLYGCPSA-N	245.410	4.601	0	10	BJAE	
CC[C@H]1CCC[C@@H](CC(=O)c2ccccc2F)C1	2050495390	SZTZZBFBBVUAEH-QWHCGFSZSA-N	248.341	4.615	0	10	BJAE	
CCN[C@@H](CC1=CCCCCCC1)c1ccco1	2050526392	XTMFGHCOFHBOBU-HNNXBMFYSA-N	247.382	4.601	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@H](CC)C[C@H](NCCC)C1	2055030847	KNABQTWHAAVLBM-BBWFWOEESA-N	249.442	4.703	0	10	BJAE	
CCN[C@H](CC1CC(CC)C1)[C@@]1(C)CC=CCC1	2056646373	UNNKVXSSBYBPDU-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CC(C2CCC2)C1)c1ccc(N)cc1	2056647011	YHHAEQVWOVFHHQ-FUJMWEONSA-N	243.394	4.589	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C=C2CCCCC2)CC1	2056915506	BCYQZYQNZLTMGL-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCC1(CC)CC(N)(c2cccc(C(C)C)c2)C1	2058834157	XWECWKJACHQOOU-UHFFFAOYSA-N	245.410	4.564	0	10	BJAE	
C/C=C/CCCN[C@@H]1CCCCC12CCCCC2	2059226401	YXZMXHQOLJJISY-WOMSROEHSA-N	249.442	4.825	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CC(C)=C[C@@H](C)C1	2059250674	SHZUMZDYCMOHQQ-OTIUETMYSA-N	249.442	4.703	0	10	BJAE	
CCC[C@](N)(C1=CC[C@@H](CC)CC1)[C@H]1CC1(C)C	2061113058	LHPXVZYGIULJOA-KMFMINBZSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@](O)(CC2CC(=C3CCC3)C2)C1	2061682346	KFRWFGCHTKGIGQ-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1CC(=C2CCC2)C1)NC	2061723553	RUEXTJOUYFIXJA-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CC1CC(=C2CC2)C1	2061737020	MUDAPVFDCJDCJD-RDJZCZTQSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](CC)c1occc1C	2063677880	MFGUTNOMWSOKTN-RBSFLKMASA-N	249.398	4.598	0	10	BJAE	
CCCC[C@H](NCCC)C1CC2(C1)CC21CCC1	2064003560	ZGPMMTPYPBVVLT-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC(NC[C@]2(C)C=CCCC2)C1	2067988890	PVAXPUDMRMWLKZ-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	2069267962	JFCULKODQSQKKA-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C1(CC2CC2)CCC1	2069505781	SSJJUHXNWHYTKQ-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1C[C@@H]1CCN[C@H]1CCCC2(CCCCC2)C1	2071464848	HGUQHQWWKILGFD-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(CC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CCC1	2071922785	VXRLRICPRBLOEI-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)C1(C(C)(C)C)CCC1	2071937865	GHRAMRKCNIVBME-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CN(C)C1CCC(C2CCC2)CC1	2072414775	KIVSEHUUKRLJAK-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1CC(=C2CCC2)C1	2072425402	NIBGCDLRAJRRJD-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](C)CC1)[C@H]1CC=CCC1	2072793475	KHXDCVWULXSXNW-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)C[C@]12CCC[C@@H]1C2	2074653637	QFUGMAMDCOWOLS-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C1CCC2(CC1)CC[C@H]2N1CCCCC12CCC2	2075013721	WVEJWAJANJOEJG-OAHLLOKOSA-N	247.426	4.508	0	10	BJAE	
CC(C)(C)NC[C@@]1([C@@H]2C=CCCCC2)CC1(C)C	2075362940	NYBPXHOJTOZAHJ-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)C[C@H](NCCC)c1ccccc1F	2077193830	DJEVBLILQIFNHF-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CN([C@H]1CCC2(CCCC2)C1)[C@H]1CCCC1(C)C	2077359688	GNBBIDHWUPHJNF-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H]2C=CCCC2)cc1	2077926444	AEAJSSPLZHJZLU-OAHLLOKOSA-N	242.362	4.568	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H]1C[C@H]1C1CCCCC1	2079437077	ZKWLQXOFQQCHPK-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@H]2C[C@H]2CCC)o1	2079477817	VFXYDNJOAORGBA-OCCSQVGLSA-N	248.366	4.631	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@H]1C[C@@H]1C1CCCCCC1	2079486917	PJGYYHVKEKRDOU-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC(N[C@@H]2C[C@@H]2C2CCCCCC2)C1	2079537075	OSJADZPXHJGFBO-JCCCHCCOSA-N	249.442	4.514	0	10	BJAE	
CCC1([C@H](N)C[C@H]2C[C@@H]2C2CCCC2)CCCC1	2079723944	JCYVDJAWVWTVCW-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@@H]1C[C@@H]1C1CCCC1	2079865329	OZNNWQWZTBZJKX-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CCCNCC1(CC=C2CCC2)CCCCCC1	2081676514	SFDINQQSVJSROR-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CCC(CC)(CCCCC(F)F)CNC(C)C	2216435931	UWYDFYJEXGWOBW-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
O=C(CCCCC(F)F)CC1CCCCCC1	2216522684	SAUZEHJIWIUZGK-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CN[C@H](CCCCCCCCC1CC1)C(C)C	2216879217	ZLWTYAOPOOZVMW-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC[C@]1(CN[C@H](C)CC)CCC[C@H](C)CC1	2217123889	CEMGIBNBPOJQAY-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C(C)C)CCCCC1(C)C	2217127537	XAYFHVYJFLVZOP-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@H]1[C@H]2CCCC[C@H]21	2218731041	LGYWUUZSLROZRX-SCAQPMJSSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(N)CCC(C3CC3)CC2)C1	2218896913	OGBMPNNCRDJVDN-JCAIJIATSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCC1CC1)C1(C2CC2)CCCC1	2220043696	DNFRZDJLSOJTCQ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CC2(C)CC3(CCC3)C2)C1	2221013412	JTNRRZKBDLLFFP-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
Cc1c(F)cccc1C(=O)CC1(C)CC(C)(C)C1	2221089317	ZNVOSLUBGAFKJC-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCC[C@H](NC[C@@H]1CC=C(C)CC1)[C@@H]1CC1(C)C	2221660957	DDCXHSNIUIWJIP-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NC)c1c(C)cccc1C	2222008784	JOGPOBXZMNOVBE-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CN([C@@H]1C=CCCC1)[C@@H]1CCC[C@@H](C(C)(C)C)C1	2222269075	VBYJCRJFYYARBS-BZUAXINKSA-N	249.442	4.632	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC2CCC2)CC12CCCC2	2223605131	VCRMLHGBUHRLKO-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@H](C)c1ccc(C)cc1	2223966532	ABHMDBSMTWCONO-GDBMZVCRSA-N	247.426	4.513	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C1CCC(C)CC1)N2	2224118706	BSNYOBJNEJGETM-LDZOIKDWSA-N	243.394	4.548	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)c1cccc2ccoc12	2224198131	MVKMJEUJDLPLHU-CQSZACIVSA-N	246.350	4.539	0	10	BJAE	
Cc1cccc(Cl)c1NC1CCC=CCC1	2244137103	YXNATVFSNWUQKN-UHFFFAOYSA-N	235.758	4.559	0	10	BJAE	
C1=CCC(c2cccc(C3CCCC3)c2)C1	2245232948	ZMQOJXTUXRDDPZ-UHFFFAOYSA-N	212.336	4.778	0	10	BJAE	
CN[C@H](CCCC[C@H]1CCC[C@@H](C)C1)C(C)C	2246724762	FDJMWFSDZGABTP-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCC[C@@H](C)C2)C1	2246732593	MIHJHLKMYLUNKI-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)C(C)(C)C(C)(C)C	2247118060	UURGGAHFMOWRFU-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC1=CCCCC1	2247489861	JZUXUFPKXCGHEO-ZBFHGGJFSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](CCCCC[C@@H]1C[C@@H]1C)NC	2248823647	VGJSOJYXZWYSKW-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCCC(F)F)[C@H](CC)CCC	2250372477	PNLAUFDUCOCWOM-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1CCC(CC)CC1	2250377837	IFXCVCXXTUBUBC-QDIHITRGSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@]12CC[C@@H]1C2	2250518042	RAZCNMFZXHBKON-LZWOXQAQSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)CN[C@]12CCCC[C@H]1CC2	2251138300	KTFLPJSIGUSQHA-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@]12CCC[C@H]1CC2	2251218592	UEAGEJMJYBJEOO-ARFHVFGLSA-N	238.415	4.534	0	10	BJAE	
CC1CC(CCC(=O)[C@H]2CCCC(C)(C)C2)C1	2251763282	OBUUNPNKEBNBLM-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)C[C@@H]1CCCCC12CC2	2253784273	PQXYBOBLPJAGCJ-YCPHGPKFSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1CCC[C@H]1CC[C@H]1CCCCC12CC2	2253813077	BUSBFZPJBKUHJB-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@](N)(CC[C@@H]2CCCCC23CC3)CCC1	2253840993	UXSKCJJUJGEEPJ-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@@H](C)C1)C[C@@H]1CCCCN1	2253998937	WGIQTFJODUQNSB-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)CC12CCC(CC1)C2	2254528999	GTLSYAQLXHWVTC-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCC1(C)C)c1ccco1	2255029380	ZPNGVRZOSTVJTB-ZIAGYGMSSA-N	249.398	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC1(N)CC(C2CCC2)C1	2257311121	KXBQCJJOFVVDST-OBTMHIKCSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNC1(CC2CC2)CCC1	2257312022	PJGBNPOBSHTFLA-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@H](C)[C@@H]2CCC2(C)C)cc(C)c1C	2258233121	KALKCMMRQFHZMC-ZBFHGGJFSA-N	245.410	4.848	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cc(C)c(C)c(C)c2)o1	2258247055	PRMBLRBNNDISOM-AWEZNQCLSA-N	243.350	4.686	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@@]12CCCC[C@@H]1CC2	2260678358	KVMRTMCYIOLGKK-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC=C[C@]1(N)CC1CC(CC(C)(C)C)C1	2261263176	GBSGJHKHPCGFBZ-VXTDNTOSSA-N	249.442	4.523	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCNc2ccc(F)cc21	2261340410	WEKBLXZAVIWFAB-LBPRGKRZSA-N	249.373	4.941	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1=O	2261437347	ZNPGXEDLZYAZHF-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)n1ccc2cccc(F)c21	2298932184	GUIOFKHYCGKHIO-LLVKDONJSA-N	231.314	4.532	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C1CCC(C)(C)CC1	2298949805	PXIGXAMGGZONBD-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@H](C[C@@H](C)C(C)(C)C)NC	2300683462	JVNAJBCUAKBLQO-HIFRSBDPSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H](CC(C)C)C(C)C	2300686486	RELRVUSTPNYBSV-CVEARBPZSA-N	242.447	4.882	0	10	BJAE	
CC(=CC[C@](C)(O)[C@H]1C[C@@H]1C)CCCC(C)C	2300916952	UOHIANCODADLKS-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CC(C)NC[C@@H](C)[C@H](C)CC1CCCCCC1	2301185391	JJYJIAXMFAOUFP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc2ccn([C@H](C)[C@H](C)C(C)C)c2c1	2301833335	QOLHMJLFTUVLDF-ZIAGYGMSSA-N	229.367	4.803	0	10	BJAE	
C/C=C/CCC[C@H](CCCCC1CC1)NCC	2302570616	BBPMPAKGPDSBMX-LLCTXKFZSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CC[C@H]1C(C)(C)C	2303415871	HZHOJHBSZAQHCI-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC[C@@H]1C[C@H]1CC	2303520026	PVHHUNNVSJBTIA-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1cccc(C(C)C)c1	2303717880	QPGBOXBODDXMOQ-HEHGZKQESA-N	234.383	4.526	0	10	BJAE	
CCC[C@@H](CC)CCC[C@H](O)c1ccccc1	2307901050	HIKQHZUMVNHMHF-ZBFHGGJFSA-N	234.383	4.717	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)C1(C)CCCC1	2307902581	LQYAGVWJZZWMJY-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)C[C@@H]1C[C@H]1CC	2310970612	ALTJLJJMAXYUEN-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2313343465	DVOQNWKDTJOYKS-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CC(=CCN[C@@H]1CCC[C@@H]2C[C@H]21)CCCC(C)C	2316489018	FWVAKEUXWKUBDM-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(=CCC[C@H](N)c1ccco1)CCCC(C)C	2316549400	JHARCBRHSDBSPD-HNNXBMFYSA-N	249.398	4.832	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1CCCC2(CC2)C1	2316878651	AMAANHQKNHQDMN-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]21	2316880290	IZWUBSHEPWMDBD-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cc(C)c(O)c(C)c1	2318428585	PPOKNZZGVZOFLX-CQSZACIVSA-N	249.398	4.780	0	10	BJAE	
Cc1cc([C@H](N)CCCC2=CCCCC2)oc1C	2318593081	PRDRXVIVMROHLS-OAHLLOKOSA-N	247.382	4.567	0	10	BJAE	
CCCCC(=O)[C@H](c1ccccc1)C1CCCC1	2319600374	OHMFIXCRLIWYRT-QGZVFWFLSA-N	244.378	4.720	0	10	BJAE	
CCCC1(NCC[C@H]2CC[C@H]2C2CC2)CCCC1	2319726836	MNVIQIYVSVLCOH-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CNC[C@@]1(CCC2CCCC2)CCC(C)=C(C)C1	2320263238	KWESFFICLATTMQ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CC[C@H]2C(C)(C)C)c(C)o1	2320310012	GZMFPIAEFGRIOQ-TZMCWYRMSA-N	248.366	4.542	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)CC2=CCCCC2)CC1	2320411311	IYTXSMPYINBVQB-KRWDZBQOSA-N	247.426	4.555	0	10	BJAE	
C/C=C/CCCN(C)Cc1cccc(C(C)C)c1	2320645320	LPHWOKNGIXKNOD-AATRIKPKSA-N	245.410	4.598	0	10	BJAE	
Cc1cc(NCC[C@H]2CCC(C)(C)C2)ccc1F	2321531757	RNVQSBHMFLHYCM-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1	2321614124	RRGAYQBRBLLACT-TTZDDIAXSA-N	248.410	4.598	0	10	BJAE	
CC(=O)c1cc(C(C)(C)C)sc1C(C)(C)C	286553	BFOKNBUWBAFKPJ-UHFFFAOYSA-N	238.396	4.546	0	10	BJAE	
CC1=CC[C@@]2(CC1)C(C)=CCCC2(C)C	968467	SIBCECUUMHIAAM-OAHLLOKOSA-N	204.357	4.869	0	10	BJAE	biogenic,in-vitro
CCc1onc(-c2ccccc2)c1-c1ccccc1	13583259	MXTWADCRLRQMDW-UHFFFAOYSA-N	249.313	4.571	0	10	BJAE	in-vivo
CCCCCC[C@@H](C)NC[C@@H](C)c1ccccc1	20306105	LUFNBCXEKIZTDM-HZPDHXFCSA-N	247.426	4.739	0	10	BJAE	
CCCCCC[C@H](C)Nc1cc(C)ccc1F	20520422	QTLKDVDNVCIJSU-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
CC(C)(C)c1ccc([C@H](N)C2CCCCC2)cc1	20549538	JCSZBEWOICNCOV-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CC(C)C[C@H](N)c1ccc(C2CCCCC2)cc1	21059368	YDZAAMFQULNYBM-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
Cc1c(C)c2cc3c(C)coc3cc2oc1=S	32500146	OLEOOLZHRUHLQS-UHFFFAOYSA-N	244.315	4.834	0	10	BJAE	
CN[C@H](CC1CCCC1)c1ccc(C(C)C)cc1	37865264	OGDMAWAAFPOMGQ-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc(-c2ccc(C(C)C)c(N)c2)c(C)c1	41282569	FFAOLNMZHMTUFU-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
CCCCC[C@H](NC)c1cc(CC)ccc1CC	70440703	UDNDVBYHWAKAGY-KRWDZBQOSA-N	247.426	4.652	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@H](C)CCC	71127711	AZYKUAWXMHBJOI-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
CCc1ccc2nc(Cl)cc(C(C)C)c2c1	77255252	FHKAVIQQCAHSBV-UHFFFAOYSA-N	233.742	4.574	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCCC(C)(C)C1	79982400	WJIZKTVLBCLGHE-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](C)CNc1c(C)cccc1C(C)C	83360396	ODGZKNMBRIKYMQ-ZDUSSCGKSA-N	233.399	4.967	0	10	BJAE	
CCCNc1ccc(Oc2ccc(C)cc2)cc1	83369626	CDWXLERCISQOIJ-UHFFFAOYSA-N	241.334	4.609	0	10	BJAE	
C[C@H]1CC[C@@H](Oc2ccc(Cl)cc2)C[C@@H]1C	85150237	CGIINAGPNOEFBK-COPLHBTASA-N	238.758	4.544	0	10	BJAE	
CC1CCC(Oc2ccccc2C(C)C)CC1	85151585	AFPPFNCEPVDPMO-UHFFFAOYSA-N	232.367	4.768	0	10	BJAE	
Cc1cc(-c2c(C)cccc2Cl)ccc1F	85389247	WTWHEUIOHGUEDH-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@H]1Nc1ccsc1	85527760	BMDWAYXCTWTILE-QWHCGFSZSA-N	237.412	4.765	0	10	BJAE	
CC(C)CC(CC(C)C)Nc1ccsc1	85527802	LIKNEFXITIPPGE-UHFFFAOYSA-N	225.401	4.621	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CCC)CC(C)C	87522277	NBVTWBACWIIPDB-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCC/C=C/CCCCCCC(=O)O	87613204	TXLBQXBKSSATFT-VOTSOKGWSA-N	226.360	4.548	0	10	BJAE	
Cc1ccc(F)c(C(=O)C2CCC(C)(C)CC2)c1	87940956	RMHQFIONSQJNNY-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)c1ccc(-c2cccc(Cl)n2)cc1	88675076	FNONCECSVMOXPP-UHFFFAOYSA-N	245.753	4.700	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cc(C)cc(F)c2)CC1	91510988	ACBJHLZDSJDQLG-ZFWWWQNUSA-N	249.373	4.905	0	10	BJAE	
Cc1ccc(C)c(NCCC2CCCCC2)c1	107799417	SVXIIFNHUDHROJ-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CCNC/C(=C/C1CCCCC1)C1CCCCC1	125550100	IHOVUMUTLIUDOX-LGMDPLHJSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H](C)CCC	133544437	PPROBTIJBXFSDX-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(C)c(C/C=C/c2ccccc2)c1	137351056	CDHAHUQQPDKCNX-RMKNXTFCSA-N	222.331	4.559	0	10	BJAE	
CC(C)CCC[C@@H](CNC(C)C)c1ccccc1	155726523	PELPHVBZWAHZHM-KRWDZBQOSA-N	247.426	4.595	0	10	BJAE	
CCCCCC[C@H](NC)C1CCCCCCC1	158283768	TWUFZROMHMRYGH-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCCCC[C@](C)(CNCC(C)C)C(C)C	164430142	XWMCTYOWJFTRHE-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
C[C@@H](CC(=O)CC1CCCCC1)CC(C)(C)C	164863459	GNFAMDKGELHELR-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@H](O)c1ccc(C(C)(C)C)cc1	165595785	APSHFEXZDKBQEY-INIZCTEOSA-N	248.410	4.844	0	10	BJAE	
c1ccc(CNc2csc3ccccc23)cc1	166596769	ZPJFVSWEZDDDTI-UHFFFAOYSA-N	239.343	4.513	0	10	BJAE	
CCCC[C@H](CCC)NCCC1CCCCC1	225993327	DTIOFYZZJBNFEB-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
Cc1cc(C)cc(O[C@@H]2CC[C@H](C)[C@@H](C)C2)c1	226901219	GMPAIFPVJFLLCZ-SOUVJXGZSA-N	232.367	4.507	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@@H](C)[C@H]2C)c1C	227003438	AJYPZYZJNYGKMM-XNRPHZJLSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H](C)c2ccccc2)C1	233931449	YEFRWSKIGAOVEQ-LZWOXQAQSA-N	244.378	4.576	0	10	BJAE	
CCCCc1ccc([C@H](C)C[C@H]2O[C@@H]2CC)cc1	250012130	KUPALZNTRSXNFL-KBRIMQKVSA-N	246.394	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C(C(C)C)C(C)C	302518875	DHYANICKCPHJBT-GJZGRUSLSA-N	241.463	4.848	0	10	BJAE	
CCCC[C@]1(CC)[C@H](CNC(C)(C)C)C1(C)C	306056825	XUEBWPFAVHONEF-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)[C@H](CC)CC(C)C	308055759	BZMWGEVJMXWLMQ-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C[C@@H](C)CC(C)C	309989229	GRFYOBOFEWMFPI-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)CC1(C)CCC1	310898553	APCRCVBPCYXEKE-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@@H]2CCC[C@@H](C)C2)c1	310958095	GGIFWIYUUPNQLU-IUODEOHRSA-N	244.378	4.703	0	10	BJAE	
CC(C)CNC[C@]1(C2CCCCC2)CC=CCC1	317807232	CITPBNNYFORLSY-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](CCCC(C)(C)C)[C@H](C)CNC(C)(C)C	379626233	GQMMUMQYUCXEFV-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)c1cccc(C)c1	380638309	RTHPQDYXMQDGRZ-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
COc1ccc(C)cc1NCCCCCC(C)C	383178900	MNWMQNBTAANRPW-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CCCc1ccccc1[C@H](O)C1CCCCCC1	384401593	CRKXCSDNQYKOFB-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CCCNC[C@H](C)[C@H](C)CCC1=CCCCC1	384927854	HUBIAQMVKVEBBN-CABCVRRESA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@H](C)c2ccccc2)C1	385179089	OZWNYWGOZOIXCF-SQWLQELKSA-N	244.378	4.576	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1cccc2ccsc12	386194965	CSUJGXSANYUNQC-AAEUAGOBSA-N	245.391	4.892	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2C[C@H](C)[C@@H]2C)cc1	394041053	FFBJOPROQOQPDS-GRDNDAEWSA-N	245.410	4.876	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CC2CCC1CC2	394336537	XUPQMLWFMJHUAC-ORHYLEIMSA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)C2(C)CCCCCC2)C1	394611374	SGQZXLCELNZXQZ-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(Cc1ccc(C(C)C)cc1)C(C)(C)C	395430289	KZJXBJSSDRDLNH-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
COc1c(C(F)F)c(Cl)cc2ccsc12	396185975	NWZBZDNTDDHHRG-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1c(F)ccc2c(C(F)F)csc12	396194407	HSTVEOGNZAJBHA-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
Clc1cccc(NCCC2CCC2)c1Cl	398833931	YOGQSFNHDNHHSQ-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
C[C@H]([C@H](N)c1ccc(C2CCC2)cc1)C(C)(C)C	399086678	VACCTIKMNOYEJO-WBMJQRKESA-N	245.410	4.636	0	10	BJAE	
FC1(F)CCCC[C@H]1CCC1=CCCC1	401150979	JPRGBDJKTIKKEY-LBPRGKRZSA-N	214.299	4.702	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](CC2(C)CC2)NC)cc1	401533731	XBLNFVBHBCSYCT-CZUORRHYSA-N	245.410	4.651	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)C1CCC(C)CC1	402150466	MFBFFUSGXXUIMO-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C[C@@H]1CC=CCC1	402192457	ADOILGJQGDVXIR-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCCCCC(=O)CC(C)(C)C1CC1	405810097	MHYLWCMSXJMCKE-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
Cc1c(Cl)cc(N[C@H](C)C(C)C)cc1Cl	690296496	SZRKCIXLMQZXOB-SECBINFHSA-N	246.181	4.758	0	10	BJAE	
CCC(F)(F)C(C)(C)CC(=O)CCC(C)(C)C	691022110	XQMKCEBFQACUCQ-UHFFFAOYSA-N	248.357	4.843	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](C)CC(C)(C)C	691155066	SPJXQIQSRPJMNY-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
FC(F)(CCC1CC=CC1)c1ccccc1	692137044	RFOZPYXKHQWCJE-UHFFFAOYSA-N	222.278	4.525	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@H]1CCCCC1(C)C	697757225	WNMTZMTVRAYLJT-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1[C@@H]2CCCCCC[C@@H]2C12CCCC2	701880238	CZLCAVXYWVQAPA-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(c1ccc(C(C)C)cc1)C1CCCC1	704927091	LQIIJEVIQXJIDT-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CC2CCC1CC2)C1CCC1	705380426	CKYDAEGTSSQCDL-NDTCATRNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@@H]2CCC[C@H]21)C1CCCCCC1	707730955	GDOAEWRIJTZCMY-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H](C)CC(C)(C)C)c1ccccc1	708286376	QLENNZUNCOUYFQ-IIAWOOMASA-N	247.426	4.580	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1C[C@@H](C)CC(C)(C)C1	708308071	OVDUEBGZTVEAEN-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)CC1CCC(C)(C)CC1	708324543	NLOZNUNEVUCKNZ-HIFRSBDPSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc([C@@H](CO)C[C@H](C)CC(C)(C)C)c1	709107885	ZMIDBTMBSCNXNH-GOEBONIOSA-N	248.410	4.533	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)[C@]12CCCC[C@H]1C2	709132554	PZXVNQHRUNVWDP-DVOMOZLQSA-N	247.357	4.515	0	10	BJAE	
CC[C@](N)(C[C@H](C)CC(C)(C)C)[C@H]1CC1(C)C	709162930	ISWADCFWHAEBQK-WWGRRREGSA-N	239.447	4.602	0	10	BJAE	
Cc1ccccc1[C@@H](C)NC[C@@H](C)CC(C)(C)C	709186845	JGLMYKAFLGTFFS-DZGCQCFKSA-N	247.426	4.718	0	10	BJAE	
C[C@H]1CC(C(=O)[C@H](C)CC(C)(C)C)C[C@H](C)C1	709259506	IQANODCBLSKUQH-JHJVBQTASA-N	238.415	4.700	0	10	BJAE	
CCSc1cccc(N[C@@H](CC)C(C)C)c1	709755008	FEOBHGYWMUIGJD-AWEZNQCLSA-N	237.412	4.645	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C1CCC2(CC1)CC2	709942839	NDDXWWJRXZINSP-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]1NC1CCC(C2CCC2)CC1	710160193	KCNHPMGSOFSPES-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc([C@H](CC)NCC[C@H](C)CC)cc1	710202092	WUZSIUGQCNQBDL-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H](Nc1csc(C)c1)c1cccc(F)c1	710728323	JEYGLBLDGPCMSA-CQSZACIVSA-N	249.354	4.759	0	10	BJAE	
CC[C@@H](C[C@H](O)CC(C)(C)CC)C(C)(C)C	713216129	FQJHTOXVNIYVBE-STQMWFEESA-N	228.420	4.636	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(O)CC(C)(C)CC[C@H]1C	713259828	VKCRZGIQMPVVJC-CJNGLKHVSA-N	240.431	4.636	0	10	BJAE	
C1CCCC(N[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1	714305254	SDXFEHMSEFZUGK-USXIJHARSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCC(C)(C)C[C@H]1NC	717468320	IKBWUKLLHVSWKY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(O)c(CCC=C(C)C)c1	718629223	PSQWJAFBNFAWKK-ZDUSSCGKSA-N	232.367	4.805	0	10	BJAE	
CC(C)=C(C)CCNc1ccc(F)c(Cl)c1	718641877	GXUCCEUVTOVZDZ-UHFFFAOYSA-N	241.737	4.637	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](CCC(C)=C(C)C)NC)C1	718651973	LTDSBTDAPDICRS-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1C[C@H](C(C)C)CCC1=O	719176073	HJKAAAKNGJBHTA-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
CCC[C@@H](C)C[C@@](N)(CC)CC1CCCCC1	720357236	GGQLTEBXKXJRPZ-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CNCCC)C1CCCCCC1	829260791	SZVADFSIXGLJHS-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](Cc1ccccc1)N(CCC)CCC	1167305933	AFAHTZPYSMVJPC-QGZVFWFLSA-N	247.426	4.520	0	10	BJAE	
CCCCCN(C(C)C)[C@@H](C)c1ccccc1	1194816791	IJIHYEOLHWNUCS-HNNXBMFYSA-N	233.399	4.648	0	10	BJAE	
CCCC[C@@H](NC[C@@H](C)CC(C)C)C1CCC1	1307666078	ALTBDWKPHJPFFE-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCC1CCCCC1	1652499803	GVHJOAWSFXMQIZ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CC[C@@H](CC)C1	1900693096	KLQIAQRPSRTNCS-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCCCN(CCCC)CCC(CC)CC	1900699562	BHLXESHCUNCASE-UHFFFAOYSA-N	227.436	4.715	0	10	BJAE	
CCC(CC)c1ccc(OC)c(C(C)C)c1	1901883450	TVDWZEIDRFUDTP-UHFFFAOYSA-N	220.356	4.722	0	10	BJAE	
CCc1cscc1NC[C@@H]1CCC[C@H](C)C1	1902376487	IWYFPODIOCIGMB-NWDGAFQWSA-N	237.412	4.549	0	10	BJAE	
CC(C)c1cccc(NCCC[C@@H]2C[C@H]2C)c1	1908546170	AYTKFNYDQWJQGI-UKRRQHHQSA-N	231.383	4.658	0	10	BJAE	
CCCC[C@](CC)(CCC[C@@H]1C[C@H]1C)CNC	1908552460	PCBGNSWKDNTUGB-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)C(C)(C)CC	1908577853	MVHKMHOIRABBHN-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC=C1CCC[C@H]1[C@@H]1CCCCN1	1911841388	OJIOLTNQXWTMCY-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1C=C(CNC(C)(C)C)C1CCCCC1	1912054862	FCIJJFDIRSVNSI-HIFRSBDPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCCF)C[C@@H](C)CC(C)(C)C	1913269236	ARCOVIXNCIJSLE-ZIAGYGMSSA-N	245.426	4.567	0	10	BJAE	
CC(C)CCCCC[C@@]1(CNC2CC2)C=CCC1	1916380735	QVEWUSIHNUFCGA-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1N[C@H]1CCC2(CCCC2)C1	1916404729	BZZDIUVVTNXKQF-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@](O)(CC)c1ccc(C)cc1	1919885692	KTZSQUNTSKSHIA-MRXNPFEDSA-N	234.383	4.563	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@@H](C)CC(C)C	1919947453	JZKDZBVTLFOBLX-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CCCC12CCC2	1921592962	RJQPJJOTYVICRS-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)CC1CC(C)C1	1925121531	ZYAWPCRYHCYLBM-BCLQGDPASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN[C@H](CCC(C)C)C1CC1	1926160141	UJXPZRKOTBMZGS-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(=O)c1cc(C)ccc1Cl)C(C)C	1936211098	NXOZOFMLVXDTIF-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
CCCC[C@@H](CC)C(=O)[C@@H](C)CCC(C)C	1937167863	KXRGBUXXNVLWEO-UONOGXRCSA-N	226.404	4.844	0	10	BJAE	
CCC[C@H](C)CCN[C@H](CC)c1ccsc1	1937264896	DSBXZSMDJXOKGO-GXTWGEPZSA-N	239.428	4.615	0	10	BJAE	
CCC[C@H](C(=O)c1cscc1CC)C(C)C	1938804663	REBMAVKWTJPQIU-LBPRGKRZSA-N	238.396	4.566	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1cscc1C	1938805445	WUQNMQMOBBQHEF-LBPRGKRZSA-N	238.396	4.702	0	10	BJAE	
CC[C@](C)(CCCC1(C)CC1)CNC(C)(C)C	1940867727	CSUQODVMQUNLIG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1ccc(C(C)C)cc1	1941244798	ZZWSZTWMKLCMOI-HZPDHXFCSA-N	234.383	4.526	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CC1CCC(C)CC1	1941262308	CGHTXFKEFGFSDR-FJBKBRRZSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(CCC2CCC2)CC1	1941471054	YUFHWUWHODUYQO-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](NCC1CCC=CCC1)c1cccs1	1941820527	BCSNWIILMYIGJK-CQSZACIVSA-N	249.423	4.535	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CCC(F)F)NCC	1942306741	IBXUOCNYKJVTMJ-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CCC(C)C)C(C)C	1942656104	AFXVEECQOPYWPB-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CN[C@H](C(C(C)C)C(C)C)[C@H](C)CCC(C)C	1942665625	ZJXGRAYHJBGQJD-ZBFHGGJFSA-N	241.463	4.575	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)C1CCCCCC1	1944642317	VQYFNDSHWWQCIN-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1[C@H]2CCCC[C@H]21	1945052542	HXIXHCPTKIDWGD-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CCCC2)C1)C(C)(C)C	1946454120	DHQIDVOTQVGLQF-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](N[C@H]1CCCC2(CCCC2)C1)C(C)(C)C	1946454121	DHQIDVOTQVGLQF-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C1CCC(CC)CC1	1947464102	GDSKINWMSPQCNN-GYTBAZASSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(O)CCCCCCC1	1947547747	SHEVPBDYPSRAPG-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)CC1(O)C[C@H]2CCCCC[C@@H]2C1	1947844124	ZZRPSYMBNWXDGO-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)NCCCCCC1CC1	1948327973	RJJPJIKFDUCZMY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C1CC(C)(CC)C1)C(C)(CC)CC	1948406261	XZJXGTKQCKGFGM-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)CCCC(C)C	1948965323	YISVGPTWNTYCON-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@H]2CC2(C)C)CC1	1948994035	IKFYGRAAWDWMDX-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)([C@H]2CCC(C)(C)C2)CC1	1949400354	VDLBXZMUKQYEMW-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C1CC1)C(C)C	1949825238	KKWNCAPNSQLSOJ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2C=CCCC2)C1	1959891658	WPICFIDTXHICLE-ZIAGYGMSSA-N	206.373	4.949	0	10	BJAE	
CCC(CC)[C@H](C)NCc1cccc(C(C)C)c1	1963157223	PIXDKTBBZBXTLQ-AWEZNQCLSA-N	247.426	4.724	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCc1ccc(C)c(C)c1	1963172498	BAYWWUZKEDYEQK-SUMWQHHRSA-N	247.426	4.608	0	10	BJAE	
CCCC1CCC(N[C@H]2CC[C@H]3CC[C@H]2C3)CC1	1967767930	SSUJZOLYEMXNPD-QLOXVCQLSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(NCC[C@@H]2CCC[C@@H](C)C2)c1	1968307377	JCOMCSFXFRSSIR-CJNGLKHVSA-N	245.410	4.932	0	10	BJAE	
CC[C@@]1(C)C[C@H]1NC(C1CCCC1)C1CCCC1	1973341387	GSBQVIKBQDJHRH-WBVHZDCISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C(C)(C)CCC	1976003023	IDRVIVCSCFEFAF-KBPBESRZSA-N	228.420	4.780	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cc(C(F)F)cs1	1983699470	RBQZSZQNIZSPLC-QMMMGPOBSA-N	246.322	4.695	0	10	BJAE	
CC=CCCC[C@H](CCCCC)NCCC	1984619756	XIDFJTOMPBEUCK-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CC[C@@H](C(=O)CC(C(C)C)C(C)C)C(C)C	1988294952	HXMBSRWDZAKFLI-CYBMUJFWSA-N	226.404	4.556	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CCCC(C)(C)C	1988795564	VARHTMOKLBQEAH-HNNXBMFYSA-N	226.404	4.700	0	10	BJAE	
CCC[C@]1(C[C@@H]2CC[C@H](C)C2)CCCCCN1	1996259454	HLSSTFCXIXPPFC-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCNC1CC(C)(C)C(C)(C)C1	1997808860	SRZZHCSFOZGMAM-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
Cc1sccc1[C@@H](N)C[C@H]1CCC=CCCC1	1999978595	GIRBVBWHMBEKNY-ZFWWWQNUSA-N	249.423	4.583	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1CCC=CCCC1	1999984150	VCXWLQKCFKZIKG-HUUCEWRRSA-N	236.399	4.908	0	10	BJAE	
CCC[C@@H]1CCCN(C[C@H](C)CC(C)C)CC1	2000905391	BIXCFPVXLSDNPX-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
Clc1ccc2ccn([C@@H]3CC[C@H]4C[C@@H]4C3)c2c1	2001464095	MXPQUANVVIVSFU-OUCADQQQSA-N	245.753	4.656	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNC1CCCCCCCC1	2003101496	XCSITXCPZGOSCD-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CC[C@H](C)CC1	2004226140	GWSMHGARZPTSIA-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](N)(CC=C(C)C)C1CCC(C)(C)CC1	2004226221	MJFUTYKAKJSCKJ-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C(C)(C)C(C)(C)C	2004234544	RMJNBPBHHKVVBW-CQSZACIVSA-N	239.447	4.783	0	10	BJAE	
CCCC(CCC)CNC[C@]1(C)C=CCCC1	2004718004	JWAULKRCYXCHOB-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)C1(C)CCC1	2004833148	AWEZDQWRAFPXRV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](C1CCCC1)C1(C)CCCCCCC1	2004924120	XXPQSDKVWPIZDT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(CO)CC1CCCCC1	2005585421	FNJAJFIASRUUCL-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C1(C)CCC(C)(C)CC1	2007697315	OWQJHCOXUSYZHI-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCC1CC(C[C@@]2(O)CCCCC[C@H]2CC)C1	2007756981	PPHYQPIMJGEVQJ-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC(=O)CC1CC(C2CCC2)C1	2007769470	PDZNKZSBVRNXKD-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H](C)C(C)(C)C	2007947189	ZELXHSRGWMRTNI-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
C/C=C/C[C@](CC)(CCCC)CNC(C)(C)C	2008061775	HERTYAKSEJOQFJ-OJXHRBAXSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCC[C@@H](N)[C@H]1CCCC(C)(C)CC1	2009619903	PKUCDKMGSAMSRM-SSBHQGKESA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H](C)CC(C)C	2009635928	SAIGULKYIGKXQY-DODUIYEKSA-N	239.447	4.783	0	10	BJAE	
c1cc2cc(CC3CC(=C4CC4)C3)ccc2s1	2011085204	MQYSEIDQVMKCMT-UHFFFAOYSA-N	240.371	4.944	0	10	BJAE	
CCc1ccc(CC2CC(=C3CCC3)C2)cc1	2011086662	GAGVGTCYIJEUIM-UHFFFAOYSA-N	226.363	4.682	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CC(=O)CC(C)(C)C2)C1	2012080618	FWZQMOGNZMJYBA-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)C[C@H](C)C(C)(C)C	2013308612	HYPSZAKLSFKLSH-GJZGRUSLSA-N	241.463	4.815	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@H]2CCC2(C)C)c(C)c1	2014904538	WDXBZHKZGRGNPO-UONOGXRCSA-N	231.383	4.540	0	10	BJAE	
CC[C@@](O)(CCC(C(C)C)C(C)C)C1CCC1	2015337524	ZZSDBTJZGYQKTL-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)C[C@H](CCC(C(C)C)C(C)C)NC	2015358153	OSLZSPPBQWIJDZ-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC2(C(C)C)CCC2)C1	2017115563	ZIHIFEGTJAODSZ-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@@]1(CC(C)=C(C)C)CCCC1(C)C	2017470865	RUMKBFBLQJVDNK-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)C[C@H]1CC[C@H](C)CC1	2017722109	NTLCDHPRWVWBHE-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@@H](C(C)C)[C@@H](C)N)CC1	2017730306	GLKKBOJJYCVERT-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC(C[C@H]2CC[C@H](C)C(=O)C2)CC1	2017773690	DRWAECSTDMZNCO-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@]2(C)C=CCC2)CC1	2017773868	GXRXEIVRZHRPFN-DZKIICNBSA-N	234.383	4.518	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@]12CCCC[C@@H]1C2	2018575592	UCUHWURUELNMOZ-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCCC1(Cn2ccc3c(Cl)cccc32)CC1	2018922352	VIIUBINRJXZGEI-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCCC1(C[C@@]2(O)CCC[C@@H](CC)CC2)CC1	2018980151	NECQYVOLKPIDQC-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@](CC)(CNC)[C@@H]1C=CCCCC1	2019502369	DPOZTIUUMZGQJL-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
O=C1CCCCCCC[C@H]1[C@H]1C=CCCCC1	2019537291	RGXMDZFXHZHWBL-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCNC12CCC2	2020576790	ABUGHJFTEFCMTK-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](NCC)C(C)(C)CCC	2022482983	HIULBUBDDDXIKQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1C[C@@H]1Cn1ccc2c(Cl)cccc21	2022549130	FPBVZYDZSKBPTM-NWDGAFQWSA-N	247.769	4.731	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCCCC(C)(F)F	2023297892	UOIKJIBXQCIUEM-STQMWFEESA-N	249.389	4.746	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@H]1C=CCCC1	2026147552	VAVXZJUOKKBVLA-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CC(C)c1ccc([C@H](O)CC[C@@H]2CC2(C)C)cc1	2027830658	JINLNFPMTAIBOI-HZPDHXFCSA-N	246.394	4.670	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1ccc(C(C)(C)C)cc1	2028228822	CBFMHTSUEQEBLN-CVEARBPZSA-N	248.410	4.700	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)c1ccc(C2CC2)cc1	2028593621	OIXUKRCBFGETRB-OAHLLOKOSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)c1ccccc1	2028636417	ILDWZVCEIAIEHO-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
C1CCC(C2(CNCCCCC3CC3)CC2)CC1	2029735505	COLDIJNHCWKHNF-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC[C@@]12CCCC[C@H]1CCC2	2031808828	NFESXIMAACIIIE-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(C(=O)C(C)(C)C2CCCC2)c1	2032297174	SARVDXMZZLRJGP-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCC1(NCc2ccccc2C(C)C)CCC1	2033059716	YHIUKKPZUROBKN-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H]1CCC(C)(C)C1	2033392903	CGAIFNKCIOHVHE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC=C[C@@H](C)N[C@@H](C)c1ccc(CC(C)C)cc1	2034980250	VECCXDLDBKYTHY-CABCVRRESA-N	245.410	4.500	0	10	BJAE	
CC(C)(C)NCC1(C[C@H]2C=CCCC2)CCCC1	2035591109	VKFCSUXERSXZDP-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCN([C@@H](C)C1CCC1)[C@@H]1CCC2(CCCC2)C1	2037684086	XILGZMFMMJPHFW-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CC3CCC2CC3)CC1=O	2037877800	XMZSMLKQBZLCKY-HXSCFSKGSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CC2CC3(CCC3)C2)CC1	2039373514	HZXXDWTVMNHNPY-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@]2(C)CC=CCC2)CC1	2042071903	LAAPKQSXTSGREE-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@@]1(CC[C@@H]2CC2(C)C)CC=CCC1	2042096782	OSAARFDHVAKTAR-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC[C@@H]1CCCC[C@H]1C	2043187420	LMSYUVDOQZPWQX-INMHGKMJSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1C=CCCC1	2043188116	RBISWNPQTQGVRS-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H]1CCC[C@@H](C)CC1	2043192252	UFVXEUCYKOEPHJ-HLLBOEOZSA-N	249.442	4.824	0	10	BJAE	
CC1(C)CCC[C@@H]1CNC[C@H]1CCC=CCCC1	2045319258	BSSBTQKDBZZMBR-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@@H]1C(C)=CCC[C@H]1C	2045747984	JHIZZYOUNCWZSG-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C1(N)CC2(CCCCCC2)C1	2046229858	ITJQPLLECRZEKR-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCc1cc(NCC2(F)CCCCC2)ccc1C	2047244169	LSSFYWTYWGMDOA-UHFFFAOYSA-N	249.373	4.642	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@H]2CC23CCCC3)C1	2049527449	BZUPADZOMADAQQ-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@@H]2C=CCCCC2)C1	2049534470	XVPPELBXSPRODR-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)C[C@@H]1CCCC2(CC2)C1	2049867442	UZSFRYISMOIZQE-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC1CCC2(CC1)CC2	2049947414	GHAKCXLUKLOXRR-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@@H](C)C1)[C@]1(C)C=CCCC1	2050000948	SMBNHLWJBSFCRJ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@H]1NCC1(C2CCC2)CC1	2051909909	FTZBSKGXKRNYCH-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC[C@@H]2CC[C@@H]21	2052285813	CUKINQNIGRFZQS-UKPHBRMFSA-N	243.394	4.630	0	10	BJAE	
C[C@@H](N[C@H]1CCCC12CCCCC2)C1(C)CCC1	2052350279	XXHGOLGXTALOOE-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCCCC23CC3)c(C)c1	2053307891	QAMCIPIPNZPBIV-OAHLLOKOSA-N	243.394	4.747	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@H]1CCCCC12CC2	2053430855	MFQYBXPNEYFHDZ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H]2C=C(C)CCC2)CC1	2055552304	NTVZXQGJQCVRJW-OTBWCIGPSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(CN)CCC3(CC3)CC2)C1	2056522542	HUZIAXFKHLMKNF-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CC[C@@H]1CC1(C)C	2056874329	WCXPHVJMMUGXQJ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@H](CC12CCC(CC1)C2)NCC	2059225471	NPKHFIAOUMAXSY-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)[C@@H]1CCC[C@H]1C	2061080356	HFRJVGRWJMDYQM-YALNPMBYSA-N	249.442	4.537	0	10	BJAE	
C=C=CCCC1(CNC(C)(C)C)CCCCCC1	2061565091	BHWJOHJILWKECU-UHFFFAOYSA-N	249.442	4.836	0	10	BJAE	
C1CCCC(CCNCC[C@]23CCC[C@@H]2C3)CC1	2061571421	KIWABNYIEPTJIJ-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CCc1ccc(NCC[C@]23CCC[C@H]2C3)cc1C	2061573159	VYPRAMNPXBNAGF-RDJZCZTQSA-N	243.394	4.550	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2061606275	KONLWGVXUHRJTA-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1CC(=C2CC2)C1)NCC	2061726059	LYXCUIIUPDHKGG-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCCCCC23CC3)C1	2062020819	PZYLJKJUBAVLNC-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCC1(NC[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063470875	GVJGQSNGPCQCRB-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)CC12CCC(CC1)C2	2065301541	XDTMCOZTDXVUEI-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CC23CCC(CC2)CC3)C1	2065340329	VKXPTNASZRURJE-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)[C@H]3CCC3(C)C)C2)C1	2068235767	HWJWGOOZCWWIIR-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1C[C@@H]2CC[C@@H]2C1	2068801040	MJCNZJSKMOJSLB-ZTNBSJNOSA-N	249.442	4.537	0	10	BJAE	
CC(C)Cc1ccc([C@@H](O)C[C@@H](C)C(C)C)cc1	2068843599	MLCJFMAXWBBEJJ-PBHICJAKSA-N	248.410	4.601	0	10	BJAE	
C[C@@H](NCC1(CC2CCC2)CC1)C1CCCCC1	2069580985	NTKBATCRUMYILL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C2[C@H]3CCCC[C@H]23)CC1	2072700550	MWUPQJSVFXIJON-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](CC2(N)CC(C3CCCC3)C2)CC1	2072792519	APNRKJQBBIZDEL-RBAWDMFTSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2ccc(C)cc2C)CC1	2072794644	WMXBSYVFXGZUKX-WKILWMFISA-N	245.410	4.932	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)C23CCC(CC2)CC3)CC1	2072796274	NIBHRQGEGRGFMN-LQWAEYHHSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)[C@@H]2CC23CCCCC3)CC1	2072799483	TXPGNJNWRINYDO-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@](O)(CC)c1ccc(C2CC2)cc1	2073351113	SDHWQDWIMQDQBG-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@@]23CCCC[C@H]2C3)C1	2074025290	NMNPAIWXRNNZIM-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@]23CCCC[C@H]2C3)CC1	2074089573	DQWSVQWDDRNNDJ-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@]23CCCC[C@H]2C3)CCC1	2074092901	AMTVMDHVGAXOFD-BBRMVZONSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@H](NC)c2cc(C)ccc2C)CC1	2074640000	APBFDGBOYQAYNW-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@@H](c1ccc(C(C)C)cc1)[C@@H]1C[C@H]1C	2079237397	BIZRLGRHKWNEJK-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1C[C@@H]1C1CCCCCC1	2079492588	RQHVRMZMHLDKHQ-VNHAASDWSA-N	248.410	4.908	0	10	BJAE	
C[C@@]1(CC[C@@H]2C[C@H]2C2CCCCCC2)CCCN1	2079692827	FQEQORYHRCXMOO-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
Cc1cc2ccccc2n1C[C@H]1C[C@@H]1C(C)(C)C	2079820535	RHZMTOPLVNYTBP-CABCVRRESA-N	241.378	4.632	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)[C@@H]1CCCCC12CCC2	2079845211	XOAACNIDRJIAJB-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)C1(C)CCC2(CC2)CC1	2079853442	UYRRDYOSITVRMC-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCNC[C@@]1(CC=C2CCC2)CCCC[C@@H]1C	2081676616	WRYPEUCVYCPICX-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC(C)C)([C@H]2C=CCC2)C1	2081682444	WGCFOSCYCCVIQR-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](CC)c1ccco1	2081945236	SHIDFDUVYWHLJT-CYBMUJFWSA-N	247.313	4.544	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@H]1C[C@@H]1C=CCCCC1	2082215506	QIOIUPHLCCMJBN-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2CCC23CCC3)C1	2082978371	GPCLNUZVOCCNTD-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2CC23CCCCC3)C1	2083039987	AXXQPOZWDFLGRU-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c2[nH]c([C@@]34CCCC[C@H]3C4)cc12	2083309905	RVVNGWWFSBBQLR-SUMWQHHRSA-N	239.362	4.616	0	10	BJAE	
CCCCC[C@H](CC1C2(CC2)C12CC2)NCCC	2083569472	MMEOMOXDHNZWCZ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCC(=O)c1sc(C)c(C)c1C	2211703450	OXHOBOOSBHFIND-UHFFFAOYSA-N	236.380	4.602	0	10	BJAE	
CC(C)C[C@@H](CN)CCCCCCCC1CC1	2213574031	NXYKDSCQROKXBT-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
Nc1ccc(SCCCCCCC2CC2)cc1	2213574043	OEGXKPBHVGMBCB-UHFFFAOYSA-N	249.423	4.721	0	10	BJAE	
CC(C)C(C)(C)C(=O)CCCCCCC1CC1	2213582380	HJVKWXWDVBEDAV-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC(C)(C[C@H](O)C(C)(C)C(C)(C)C)C1	2215394210	QGTWCENJCNNUAE-LBPRGKRZSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](O)(CCCC2CC2)C1	2216258902	RNVWKGLKJZZACF-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCCCC(F)F)NCC	2216456877	LIRJOEBZGFKVIW-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](CN[C@@H](C)CC)C[C@@H](C)CC(C)C	2217154332	STYWONQDKLLJEH-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC1(CC[C@@H](N)CC2C[C@H]3CCC[C@H](C2)C3)CC1	2218353444	IKZNLBLQAPFOBY-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
C(CCC[C@@H]1CC[C@H]2CCN[C@H]1C2)CCC1CC1	2218721406	RBUVRQBUMUJSMQ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CCCCC12CC2	2218724670	HJUXXEWIVLXLSG-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC(C)c1ccc(C(=O)CCC2CC(F)C2)cc1	2220625336	YKDJVJBWUKXUQQ-UHFFFAOYSA-N	248.341	4.521	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2221640091	IVZBBMMNARBEJF-HWMZRRJGSA-N	246.394	4.518	0	10	BJAE	
CN(CCCCCCCC1CC1)[C@@H]1CC=CCC1	2223106553	TVTCXUWEDWCOBO-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
CCC[C@H](CCC[C@H]1CCCCC12CC2)NC	2246628291	XEIRNKULVFRRDY-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CC1(O)CC2(CC(C)C2)C1	2246808774	NLWZLDLMOFZMAY-KXVRIMHRSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](C)NCCCC[C@H]1C[C@@H]1C	2247112428	ADPUAJVNMJAKTI-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(N)CCCCC1(C)C	2247163928	HYCWOXBGPOVTOA-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1CCC1(C)C	2247444429	ANGADBCHNLWPGU-CYBMUJFWSA-N	232.367	4.625	0	10	BJAE	
N[C@H](CC1=CCCCC1)c1csc(C2CC2)c1	2248049367	UADSXVWSJBSUHZ-CQSZACIVSA-N	247.407	4.516	0	10	BJAE	
CCCN(CCCCC[C@H]1C[C@@H]1C)CC(C)C	2248845481	QCCCOXQABUOIHO-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@](C)(N)CCC1CC1	2248867750	XJQDURABXXIBGR-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@H]1C)[C@@H](CC)CCC	2250356117	PHDSRAQZCAZIJF-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC=C[C@H]1O	2250479064	PMUAOIOEXQMCBX-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
CC[C@](O)(CC[C@@H](C)CCCC(C)C)C1CC1	2250495967	NIPSWQSMYFWKIQ-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCNc2ccc(F)cc21	2251635340	HBLQIELCGXDZPV-LLVKDONJSA-N	235.346	4.551	0	10	BJAE	
CCCN[C@@H]1[C@H](CCC)C(C)(C)CCC1(C)C	2251698909	YIMJKGACWLIAKT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251706257	BYNBHYIXDBKCSJ-MELADBBJSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C(=O)CCC12CC3CC(CC(C3)C1)C2	2253977593	IYOWNUSMBIMFIP-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN(CC2=CCCCC2)C1	2255143391	IXWJSTDOMLIHEX-KRWDZBQOSA-N	247.426	4.555	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)[C@@H]2CC23CCC3)c(C)c1	2256450983	GYBDUNIJJJTTTN-GJZGRUSLSA-N	243.394	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC=C[C@]1(C)CNC(C)(C)C1	2257251398	FUKKLUKDJOEFRK-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)[C@H]1CCC2(CC2)C1	2257299863	COZYCMAHZGNXOP-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)[C@@H]1CC12CCCC2	2257302730	KIDIOLFUCLTUOJ-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNc1cccc(C(C)(C)C)c1	2257963114	RZDCKYCBURUGEB-UONOGXRCSA-N	245.410	4.832	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)c1ccc(CC)cc1	2259431858	YPSOUMZVJJPQKD-RDJZCZTQSA-N	247.426	4.726	0	10	BJAE	
CC1CC2(C1)CC(C[C@@]1(N)CCCCC[C@@H]1C)C2	2259570273	AAYJIWPAQZKSMT-WERHSETGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@@]12CCCC[C@H]1CC2	2260540471	NZDCOPVPLZWEFH-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@]2(N)C=CCCCC2)C1	2261260493	MUYGEYHPWNXVOZ-VMBOVVBDSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2CCNc3ccc(F)cc32)C1	2261340847	YBKAQVCDXBCIAL-FRRDWIJNSA-N	247.357	4.551	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H]2CCCC[C@@H]2C1=O	2300702086	VUJTZSOCWUXCAV-ZNMIVQPWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301143272	SCSRWDMERAKUSL-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
Oc1ccccc1-c1cc(C2CC2)ccc1Cl	2301332365	DTGKVIDEMJIDSW-UHFFFAOYSA-N	244.721	4.590	0	10	BJAE	
CCCCCC1CC(N[C@H](C)[C@H](C)C(C)C)C1	2301688121	HTUNUJBPBNPDTE-WXLSXGNJSA-N	239.447	4.616	0	10	BJAE	
CCC1CCC(C[C@](C)(O)[C@H](C)C(C)C)CC1	2301919247	MUGIKRZAKHETBE-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](CC)(C(=O)O)[C@H](C)[C@@H](C)C(C)C	2301958187	IKWIXBPWQPKMDJ-GUTXKFCHSA-N	242.403	4.586	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)C[C@@H]1CCC(C)(C)C1	2302715423	FVLMUXGSXGAEGB-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC(CC)[C@H](O)c1cc(C)ccc1C(C)C	2307501386	OVGUQCYYHVUZDS-INIZCTEOSA-N	234.383	4.588	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(CNC1CC1)C(C)C	2307830556	CWXXXJJKROHLBH-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)CC[C@@]23CCC[C@@H]2C3)C1	2310380225	QWUYWRGUQGMCGS-ZOFXXKQRSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H]2CC[C@@H]2C2CCC2)CC1	2310981755	SUHXDOHUPQLZIY-RKTXRCNFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2311524598	AWXTTWJDOWNZCH-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C[C@@]12CCCC[C@@H]1CC2)C1(C)CCCC1	2313346613	QIBSFNNRMZWRRY-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)[C@@H](C)[C@H](C)C(C)C)cc1	2317906641	JBJMKBRJCQITLL-ILXRZTDVSA-N	246.394	4.596	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1C[C@H]2CC[C@@H]1C2	2317945244	QQNAUEHGRXXYOR-XHSDSOJGSA-N	246.394	4.662	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1[C@H](N)CCCC1=CCCCC1	2318581314	VPJYNBXFWGQFDK-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)CCCC1=CCCCC1	2318592184	GKGWRRXSZDYLJM-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H]1CCC[C@@H](CCCC2=CCCCC2)C1	2318593463	VGDRXKDPZSRWMQ-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CNCCCC1=CCCCC1	2318594481	GKHYVEOOHHTGPA-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC[C@H](C(C)C)C2)CC1	2320237076	GKJLUQOXHDVXAY-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC[C@@H](N)c1ccccc1	2320250593	SFQIHMVWAHMXNG-FVQBIDKESA-N	245.410	4.539	0	10	BJAE	
CCC[C@@H](CC)CNCc1cccc(C(C)C)c1	2320614706	ZBZSAGFEUNPPPT-OAHLLOKOSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CC[C@@H](CCN[C@H]2CCC3(CCC3)C2)C1	2321528889	WXPNXHXOKRCRQB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)C[C@H]3CC[C@H](C3)C2)C1	2321603989	XOAWTMXPSHUVRZ-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCC(C)(C)C1)C1(C)CC=CC1	2321605918	QGYJWQSTQUALQN-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cc(C)ccc1C(C)C	2327677026	DLZHRVZXFYFYNU-PBHICJAKSA-N	248.410	4.978	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccccc2C=O)c1	2327679243	AIPIZRMAHGKQFG-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)c1ccc(C)cc1C	2328207778	WQUJHMOVLSKAED-WBVHZDCISA-N	248.410	4.727	0	10	BJAE	
COCC1CCCCCCCCCCC1	33606699	ZZCPUTXODKGFBH-UHFFFAOYSA-N	212.377	4.554	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)c1ccc(C)c(C)c1	35457140	FPUABWPGBVCZSW-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccccc2C(C)(C)C)C1	36956485	CLBPPQJUJIUCFP-ZIAGYGMSSA-N	245.410	4.975	0	10	BJAE	
Cc1cccc(-c2ccc(C(C)C)c(N)c2)c1C	41282571	NEFGYLZMUXNRGG-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@H](CC)C1	71117988	QTJRTZHIHVKIJH-GOEBONIOSA-N	245.410	4.938	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(c2ccc(C)cc2)CC1	86939957	AOYQTIZZLBXYGX-NVXWUHKLSA-N	245.410	4.529	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cccc(F)c1C	109939529	WMWLZKOGYAYIBS-DGCLKSJQSA-N	237.362	4.761	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C)c1cc(C)c(C)cc1C	109946513	GAVGQYPWEYQJTR-HZPDHXFCSA-N	247.426	4.841	0	10	BJAE	
CCc1ccc([C@@H](CC)N[C@@H](C)C(C)(C)C)cc1	122628171	RIWJRNFIDCEQLU-XJKSGUPXSA-N	247.426	4.724	0	10	BJAE	
CCC[C@@H](NCC)c1c(C)ccc2ccccc12	127169118	HUWAGBYVHXPRDQ-MRXNPFEDSA-N	241.378	4.599	0	10	BJAE	
CCCCCC[C@@H](N)c1cc2cc(C)ccc2o1	128964760	ILMWEGNIYNRJSQ-CQSZACIVSA-N	245.366	4.711	0	10	BJAE	
CCCc1cccc(C(=O)[C@H]2CCC[C@H](C)C2)c1	165528876	PUFAALDEQVUHIG-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
CCCc1cccc(-c2ccc(Cl)cc2N)c1	166075386	DTCSBPLUVHVCHC-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCC2CCCCC2)C1	166240207	LNICAGROAJLEJC-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCC)C1(CC(C)C)CCCC1	167256632	OJHREBKWMNRQOM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)CC1CC1	167633487	KOAXOEWQTBIZKC-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@H]1CCC[C@H](C)C1	168977017	KOIASAOTKWQJNX-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc2[nH]cc([C@H]3CCC[C@@H](C)C3)c2c1	200603424	HKZKESCATUTGQE-YPMHNXCESA-N	227.351	4.770	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)c1cccc(C)c1	203328294	KJLAYDUNABQVKT-WBVHZDCISA-N	248.410	4.809	0	10	BJAE	
CCCC[C@H]1c2ccccc2-c2cc(C)ncc21	207076947	QUGQJSIMWWNMEJ-HNNXBMFYSA-N	237.346	4.693	0	10	BJAE	
CC1(C)CCC=C(/C=C\Cc2ccoc2)C1	209262446	IFHROLMRQVKRCC-HYXAFXHYSA-N	216.324	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@]1(N)CCCCC1(C)C	226861224	MOUUQNOERWYLAX-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)c1cccc(CC)c1	228851823	IHQWLPXGHAVGBX-RDJZCZTQSA-N	247.426	4.726	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)c1C	229189951	RJFOOCYGCGEYCJ-CORIIIEPSA-N	244.378	4.558	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCC[C@@H](C(C)C)C1	230994467	RTQHZMGVKJWDIO-IMJJTQAJSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CCC1CC1)c1c(C)cccc1C	233166198	RFZJKQUMKOKTCD-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
C[C@H]1CC(c2cccc3c2CCCN3)C[C@H](C)C1	235693550	KUQUNNLSOMPBDO-CHWSQXEVSA-N	243.394	4.584	0	10	BJAE	
CCCCc1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1	250017772	MLOPDIVLFLUONH-YQQAZPJKSA-N	243.394	4.630	0	10	BJAE	
CCc1cccc2ccn(C[C@@H](C)CC(C)C)c12	302448519	XCWRLNWEKCGBGD-AWEZNQCLSA-N	243.394	4.886	0	10	BJAE	
Cc1cc(N)c(S[C@H]2CCC[C@@H](C)C2)cc1C	302566222	NTHAHXVSOPDHRQ-MFKMUULPSA-N	249.423	4.556	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1c(C)c(C)cc(C)c1C	306070254	ZYAVRNQGPXCBIZ-LLVKDONJSA-N	246.394	4.929	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H](C)C1)[C@H](C)CC	310143387	NMLDBWDQJFNAIY-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C)[C@H](C)CC1CCC(C)(C)CC1	310174961	UWBMJIGNYDXOIQ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@@H]1CCC[C@H](C)C1)NCC	310526065	OUWSSIASXRNUHH-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C)[C@@H](C)CC(C)C	310962790	DYMIITSSEYOUHA-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CC1(C)CCC(CC[C@H](O)c2ccccc2)CC1	311109322	MCTQZTDBZKIXKR-INIZCTEOSA-N	246.394	4.717	0	10	BJAE	
CC(C)NCC1(CC2(C)CCC2)CCCCC1	317844576	LLEJKQCWZCPXQJ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CNC[C@]1(CC2CCCC2)CC=CCC1	317925480	UINXDYTXLINAFD-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CC[C@](CCC(C)C)(CNC(C)C)C1	318004164	YUSOBGZXKQWZIP-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC(C)Oc1cccc2c1ccn2[C@H](C)C(C)C	319517163	JBQNIYQMJTXZCX-CYBMUJFWSA-N	245.366	4.646	0	10	BJAE	
CC(C)C[C@]1(CCC2CCCCC2)CCCN1	379766245	JEWLCJJBBFHTFD-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1CCC[C@H](C)C1	381097108	WXHLYOZISUWTDJ-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCC1(C[C@H]2C[C@@H](C(C)C)CCC2=O)CCC1	382424012	VCXPRXDCOVIGDD-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C)c1ccccc1C1=CC[C@H](C)CC1	385034886	IFWKDBXBDJHBQF-KBPBESRZSA-N	243.394	4.561	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@@H](C)C1)c1ccco1	386552988	UDRRCCCEDIBJMA-QLFBSQMISA-N	249.398	4.537	0	10	BJAE	
CC[C@H](Nc1cscc1C)c1ccc(F)cc1	387205372	OZGNEHOWGZPENP-ZDUSSCGKSA-N	249.354	4.759	0	10	BJAE	
CCOc1c(C(F)F)sc2ccc(C)cc12	396257207	VXCPOBDUJOFESW-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@@H](C)C(C)(C)C	399131150	TZALOZBWTVQXOL-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1ccc(C)cc1	401797224	IYQAWSNNNUKEQW-LSDHHAIUSA-N	231.383	4.623	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)C[C@H]1CC=CCC1	402344647	RQWUOTVQZCRXNW-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)CCO/C=C1/CC=CCC1	585668327	HLOZLHYGUPOUHI-RZUICQFFSA-N	236.399	4.945	0	10	BJAE	
Cc1cc(Cl)c(NCC2(C)CC2)cc1Cl	687301264	TUYCVZWHVBUJDP-UHFFFAOYSA-N	244.165	4.514	0	10	BJAE	
CCCc1ccccc1NCCCC1CCC1	688382231	QPWHHLGFAZMFHG-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
c1cc(NC2CCCCCC2)cc(C2CC2)c1	690161727	ZCCJVMGQAYMRLZ-UHFFFAOYSA-N	229.367	4.699	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1ccccc1C	691137154	KDSKZSITJPOTMZ-HOCLYGCPSA-N	231.383	4.766	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCCC[C@@H]2C2CC2)C1	696107314	UUUVMHRETXIRCW-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)C)CC(C)(C)CC	696246986	DZKGCJNWWUDMJA-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@@H]1C[C@@H]1C(C)(C)C	699756743	KYEFBPDABUAPAC-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H]1C[C@H]1C(C)(C)C	699839781	XTNFHEUNKBHHSO-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)[C@]2(C)CC2(C)C)cc1	702220423	CPLSMDFRINXLFP-MJEQTWJJSA-N	246.394	4.670	0	10	BJAE	
Cc1cc(C)c([C@@H](O)[C@H](C)CC(C)(C)C)c(C)c1	704687565	WYSWCOYXAWVFDB-ZBFHGGJFSA-N	248.410	4.718	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@H]1CCCC[C@@H]1C	704849520	BTHHVRCHCBNOIN-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(C)(C)CCNC(C)(C)C	704862667	ZECJRIOTMWASDG-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2C[C@H]3CC[C@H](C3)C2)CC1	711010887	SWAIGUGBQXPKKQ-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
C=C/C=C\CC[C@]1(CNC(C)C)CCC[C@@H](C)C1	713717165	JDLPFXXQRXCNTH-SEDCNLEPSA-N	249.442	4.703	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CC[C@@H]2CCCC[C@H]21	714304932	QZGLKXCJOZVUMT-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@@H]1CCC[C@H]1CCC(C)=C(C)C	718492334	HNVMPRXPZSDUKY-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)CC1CCCCC1	718535174	XCOATXFXMRHUOV-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1C=CCCCCC1	718966422	OAQANLJVRVPTJY-HZPDHXFCSA-N	249.442	4.824	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc(C(F)F)cc1	721760836	WSWHIRAXWKHMPW-UHFFFAOYSA-N	240.293	4.633	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@H]2CCCC3(CC3)C2)C1	723559583	JHDFBLVGEYWZLD-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@H](NCCC2CC=CC2)C1	724204922	JXKXQEPNFRLLFY-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1ccc(C)c(C)c1	1620732288	KQJUNOMFSVCNCO-WMLDXEAASA-N	243.394	4.708	0	10	BJAE	
CC1CCC(C)(CNC2CCCCCC2)CC1	1657902347	FQKJZNKRMLSIBB-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](NCC(C(C)C)C(C)C)C(C)(C)C	1658135459	FVCXQUXVGUPVDM-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@H]1NCC1CCC=CCC1	1665723901	RDBJTIJWQCXENX-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@@H](CCC(C)(C)C)NC	1900702142	JNUOIJXPCGBING-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](C)(CN)CC1CCCCCC1	1901060921	MYAWWRVELYZMEF-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
C[C@@H]1[C@H](CC=Cc2ccccc2)CC1(C)C	1901826426	PIQJDFZZWIBABR-UKRRQHHQSA-N	214.352	4.772	0	10	BJAE	
CCCC[C@@H](CC)CNc1cscc1CC	1902377341	SRHGJRXCXDKFIN-GFCCVEGCSA-N	239.428	4.939	0	10	BJAE	
CCCC[C@H](N)CC[C@@H]1C[C@H]1C1CCCCC1	1910745575	NSFPUMJOUMRGBH-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(CC)cc1	1911909507	MBOUBFGYPMROPP-ZDUSSCGKSA-N	202.341	4.709	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H]1CCCCC1(C)C	1912130861	JGCBYRWQLRYEOB-CVEARBPZSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@H]1CCCCCCCC[C@H]1CC	1913395701	MYNJHELZMICOLC-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](C)N[C@H]1CCC2(CCCCC2)C1	1915855978	VTFHLQZQGIXITO-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC(C)(C)C(C)C	1920192250	YSISVZFNTJXNIQ-UKRRQHHQSA-N	227.436	4.602	0	10	BJAE	
CCC1CCC([C@@](N)(CC)C[C@@H](C)CC)CC1	1920196624	KVSMDNLCOZADSW-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
CCCC1CC([C@@H](O)CCCCCC(C)C)C1	1921172423	QZUINBQZANNJLV-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](N)C1CCCCCCC1	1921540294	CWSSOUVCMKKSGV-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CC([C@@H](C[C@@H]2C=CCCCC2)NC)C1	1925779635	XRCYHHYMIQPJPB-KZYLPZIUSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@H](CCC(C)(C)C1CC1)NC	1926340310	VSNOXNIYWQJCLW-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](N)(CC)CCCCCC1CC1	1936429017	MTDZUCDTOBBGOZ-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCCC[C@H](CC[C@@H](C)CC(C)(C)C)NC	1939121632	CQSZIPYYCXVXPX-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)C(C(C)C)C(C)C	1940247016	WPJWGFCKSPLMLO-HUUCEWRRSA-N	241.463	4.862	0	10	BJAE	
CCCCC[C@]1(CNC(C)C)CC=CC[C@@H]1C	1940944231	NQUNKWMYODFJGP-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(F)c1cccc(N)c1	1940981190	GYNCMYRPOUYCET-WFASDCNBSA-N	237.362	4.526	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CC1CCCCC1)NC	1941265778	XVPNJWVQYMKYFT-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CN[C@H]([C@@H](C)CC(C)C)[C@H](CC(C)C)C(C)C	1941267700	VTGOZWNJDZGYQT-ARFHVFGLSA-N	241.463	4.575	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CCCC(C)(C)CC1	1941357609	NNEIVLCGWRBTTM-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(O)CCCC1CCC1	1941469815	IKPHCSWKGGQUCF-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](CC1CCC=CCC1)NC	1941795135	GXHOGZLKXUJEHT-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CCCC(C)(C)CC1	1942655455	JAXKXWKRGXIELS-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC1(CC)CCCC1	1947459603	ISTYZUISQGXUOU-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)CC1CCC(C)CC1	1948328898	XBTRRVJGRABIOB-KNIAUWFNSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CC[C@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948588495	XZOUXVUOWDVIAG-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC)C[C@H]1CCC[C@@H](CC)C1	1948865896	ZFNTWRCMOFPTEM-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C1(N)CC2(CCC(C)(C)CC2)C1	1950561855	WGJZAVKJZFULGR-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(-c2cccc(C(C)C)c2)sc1C=O	1950887941	NQCHFHFGDSQUID-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CCC[C@@]1(CNCC(C)C)CCC[C@@H](C)CC1	1950931454	XBADDUPJWHCCTG-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@H](N)CCCC(C)(C)C	1951005833	IAXMOMVREKMFIS-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)C1(CC)CCC1	1951245977	WYMVYXBKGHYATR-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(OC)c(C)c1C	1951309204	WXDDHOPUWRXAED-GFCCVEGCSA-N	232.367	4.772	0	10	BJAE	
O=C(c1cc(Cl)cs1)C1CCCCCC1	1958191924	XDKPNRUZIFWLLL-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
C[C@H](NCCCCCC1CC1)[C@@]12CCCC[C@@H]1C2	1966499989	MQHNGAUORCSIPQ-UAGQMJEPSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2[C@H]3CCCC[C@H]32)CC1	1967703740	WBAWSNDSRIUSSX-ZSHCYNCHSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](NC1C[C@H]2CCCCC[C@@H]2C1)C1CCC1	1967822096	IUALTOKVLVUCPF-INMHGKMJSA-N	249.442	4.514	0	10	BJAE	
Clc1cccc(N[C@H]2CCCC3(CCC3)C2)c1	1968260455	PVVLWFHZEVSTMP-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
CCC1(CC)CCC(Nc2ccccc2F)CC1	1968276929	KAVMYTGALQHPEC-UHFFFAOYSA-N	249.373	4.987	0	10	BJAE	
Cc1ccc(F)c(NC2C[C@@H]3CCCC[C@H]3C2)c1	1968341017	HAHLOXVUSYUNIT-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
CC1(C)CC(N[C@@H]2CC23CCCCC3)CC1(C)C	1970867533	UMQKYDMWHDCMHY-CQSZACIVSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CCNc1cccc(C2(C)CC2)c1	1973398930	VSKFAACVCRELDZ-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@@H](C)CC	1978638797	NIVLCHULEYDQOJ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CCC(=O)c1cccc(Cl)c1	1980684718	JYJRFTNPOOLMSC-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CCC1CCC(CCC(=O)CC(C)C)CC1	1989838293	CWSWOVGFUHLLJU-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@]1(C)CC=CCC1	1997606979	QSGUGGSCHXSHRZ-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
Cc1cc(S[C@H]2CCCC(C)(C)C2)ccc1N	2000046940	CRBRVLHMZZMTFU-ZDUSSCGKSA-N	249.423	4.638	0	10	BJAE	
CCCC1([C@@H](NCC)C(C)(CC)CC)CCC1	2000375427	BWFBEVFKWSZPQW-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)[C@@H]1CCC[C@H](C)C1	2003013667	IPEBNAKNFXLGDS-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(Cl)nc(-c2ccccc2C(C)C)c1	2003073456	YIPNENWXWCKUTN-UHFFFAOYSA-N	245.753	4.834	0	10	BJAE	
CC(C)(C)CCCNC1CCCCCCCC1	2003099823	OZSGWQCOXJPFIG-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCCCCC1CCC([C@@H](O)CCCC)CC1	2003107334	BDFCZMJFDDWHDP-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
C[C@@]1(C(=O)c2sccc2C2CC2)C=CCCC1	2003333598	FDXRPFJSYVQQOD-OAHLLOKOSA-N	246.375	4.555	0	10	BJAE	
C[C@@H](C[C@@H](O)C1(C)CCCCCC1)C1CCC1	2004924032	XHCAWQHJFLZITP-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)[C@H]1CCCCC12CCC2	2005600937	PBMRNZTZRVABOG-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)C1(C)CCCCCCC1	2006719976	YSZRZXSJKWJVEW-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@@H]2CCC[C@H]2C)CC1	2006770179	CVWZSHZAYWMLSJ-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCCC(C)=C1C	2006973485	WTOVGXHKIBHSJT-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
CC[C@@](O)(C=C1CCCC1)CC1CCCCC1	2007920798	JVVQQDZMHRJGHK-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cccc(-c2csc([C@@H](C)N)c2)c1	2008405437	ONTXUCCWEHAEBZ-LLVKDONJSA-N	245.391	4.558	0	10	BJAE	
CC=CCCC[C@@H](CCC1(C)CC1)NCCC	2009617652	VCLMVEBXHUTZPC-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C(C)(C)C(C)(C)C	2009618660	DSEIMDXFVOPKDG-QSYFUGGGSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@@H]1NCCC12CCCCCCCC2	2009773238	QERYGIRBMYMSHW-HNNXBMFYSA-N	237.431	4.659	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2CCC[C@@H]2C)C1	2009791648	OUFGRBFIEQFHGI-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](O)CC1=CC[C@H](C(C)(C)C)CC1	2010714025	PEQPSWNLRNRIAZ-GJZGRUSLSA-N	238.415	4.556	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H]1CC(=O)CC2(CCC2)C1	2012084363	NRHFLMYQCORICL-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCNC[C@](CC)(CCCC(C)(C)C)C(C)C	2012414698	YMLFAQSCULXROL-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CC1CC(C)(C)C1	2013308977	LORNIZAPAGHEGI-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(O)CCCCC[C@@H]1C(C)C	2015268835	FTKLYCUUUMAYQH-OAGGEKHMSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1cc(C)c(C)o1	2015323720	SXGWXVBKUUMSPQ-ZIAGYGMSSA-N	238.371	4.536	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)C[C@@H](C)C(C)C	2015399696	ORZCUNJDVCEOLY-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CCCC1(C[C@@]2(O)CC[C@H]2CC(C)C)CCC1	2015634331	QXGVDSVUNLWGIU-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cccc(C)c1F	2016146675	YZWJNFHOJOVOGP-CYBMUJFWSA-N	235.346	4.681	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)C1(C(C)(C)C)CCC1	2017131111	LLTSBWMNQJISMW-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@H](O)C2(CC)CCC2)CC1	2017651747	XYSQFUVQXTYMHT-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)C2CCCCC2)CC1	2017652296	FHKBMLAMZUNDII-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCCC[C@H](N)C2)CC1	2017731724	VAOCOIVFCVGRDQ-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@@H](N)CC2CCC(CC)CC2)CC1	2017732237	ZLHCXLUNBSRQIU-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@]2(N)CCCCC[C@@H]2C(C)C)CC1	2018987637	MHJVNSHQROQRIS-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@H](C)CC(C)(C)C	2019000897	SXFGBIOHUYEWNJ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C[C@@H](C)C(C)(C)C)C1	2019198945	JNSBNUJFUKKDAT-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
CCC1CCC(O)(CCCCC(C)(F)F)CC1	2023311612	MGPGZKNIQIFSSM-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CCC(C)(C)C)c1	2024077599	WHYXUDDCNOGZOC-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
CCN[C@@H](C)CCC1CC(C)(C)CC(C)(C)C1	2024088127	DBKOOHBGNBPDPH-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(CC)c1N[C@H]1CCC[C@@H](C)C1	2026859173	PYFZNMFRZLSLFF-CJNGLKHVSA-N	245.410	4.802	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)Cc1ccccc1C(C)C	2027460809	NZHUSMNHWLRZTM-RHSMWYFYSA-N	248.410	4.540	0	10	BJAE	
CN[C@H](CCC(C)(C)C)c1ccc(C2CC2)cc1	2028589714	CBYBZHRCFZMAKV-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](Nc1cccc(C2(C)CC2)c1)[C@H]1C[C@H]1C	2032243167	RFKQBLBPMHLYHU-KCXAZCMYSA-N	243.394	4.585	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)C[C@@H](C)c1ccccc1	2035495779	MMNJSNNCYGKXPO-OIISXLGYSA-N	246.394	4.512	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@@H]1C=CCCC1	2035603830	WZPHSWFMSHKDGU-WBVHZDCISA-N	247.426	4.601	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@H]1CC12CCCC2	2036102292	YKBKNVINZWSHRY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	2037172436	VKRKXBLHXJOBFR-ULQDDVLXSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H]([C@@]2(N)CCCCC23CCCC3)C1	2037577224	HQNPPUKTRMABNX-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H](C2(N)CCC(C3CCC3)CC2)C1	2037578404	IRGKMIPSYCFJRY-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)[C@H]1CCC2(CCCC2)C1	2037694474	MSPBRDDMLNSMEE-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CC[C@H]2CCC3(CCNCC3)C2)CC1	2037727898	HQSYCKOVVISYMV-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@H]2C(C)=CCC[C@@H]2C)C1	2039437198	RSDYSGQUVJRHGW-BQJWPVKWSA-N	249.442	4.523	0	10	BJAE	
C[C@H](N[C@@H]1CCC12CCC2)C1CCC(C)(C)CC1	2040634606	ACRPYBFIDBOEQE-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@@H](Cc2ccc3ccccc3n2)CCCC1	2042655883	SZBAEOKYDWMZFI-CQSZACIVSA-N	237.346	4.524	0	10	BJAE	
CC1CC([C@H](C)Nc2ccc3ccccc3c2)C1	2043543346	JQQBQCJCBXCNRW-UYJPIKCFSA-N	239.362	4.686	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C[C@@H]2CCC=CCCC2)C1	2045324582	XCGYUDZYFICCCM-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](C2(CNC3CC3)CCCC2)C1	2045516152	IILLPRPXSWUSRO-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@H]1CC(C)=C[C@@H](C)C1	2045693498	AYDABODPRLLDBA-KBRIMQKVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@H]1CC12CCCC2	2047015309	HWVOQZDLAXKMDX-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@H]1CC12CCCCC2)[C@@H]1CC1(C)C	2047059688	RVKBLHBKDJTWCS-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](N)C2[C@H]3CCCCC[C@H]23)CCCCC1	2048360731	OPWVIDKYJULNDO-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
NC1(CC[C@H]2C[C@@H]2C2CC2)CCCCCCCC1	2049675040	JDNJCUDKGSBKCW-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCC1(C)CC([C@@H](N)C[C@H]2CCCC3(CC3)C2)C1	2049858598	PKUAUDFOUSNSLP-CIDNJEQPSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@H]1CCC2(CC2)C1	2049955378	UIFRNVXVYFFQHK-SQWLQELKSA-N	246.394	4.518	0	10	BJAE	
CNC[C@]1(CCC2CCCC2)CCCCC12CC2	2053357677	ILYMXGQVLVTUIR-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC=CCCCN1CCCC[C@H]1C1CCCCC1	2059203945	PTISZFVCNFDCCO-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
C/C=C/CCC[C@@H](NC)C12CCC(CC1)C2(C)C	2059258485	HDWNWPLTAMSWOR-OTWMESCNSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@]12CCCC[C@@H]1C2	2059259503	PNBJPXODUQRFKG-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C(C)C)CC1)C1CCC1	2061088121	KPPAURUAEQUBLD-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCCCC1)NC1CC(=C2CCC2)C1	2061252089	HBYQKVHKYPPNKB-CYBMUJFWSA-N	247.426	4.578	0	10	BJAE	
O[C@H]1CCCCCC[C@H]1CC1CC(=C2CCC2)C1	2061681598	AWJWWMHOBZCFEW-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2C[C@@H]3CCC[C@H]3C2)C1	2063534387	AGDDYTNSWYYMAJ-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
C[C@H](Nc1ccc(C2CC2)cc1)C1CC2(CC2)C1	2064489934	VBYVRRZIJIVMHR-LBPRGKRZSA-N	241.378	4.555	0	10	BJAE	
CCC1([C@@H](CC23CCC(CC2)C3)NC)CCCC1	2065304729	CUZLAFQJDOZYRW-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(N)(C2CCCC2)C2CCCC2)CCC1	2065936055	VCZLCKAKWXDCMR-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2cccc(C(C)(C)C)c2)N1	2066382133	YZYFNBMIYYNHLQ-CVEARBPZSA-N	245.410	4.577	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CCCC2)C1)C1(C)CCCC1	2067523592	ZOIZXXIUXGEVTH-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)C)c1ccc(C(C)C)cc1	2068816557	HZHPONSABNVXQW-RHSMWYFYSA-N	247.426	4.753	0	10	BJAE	
CC[C@H]1CC=C([C@H](NC)C2(CC(C)C)CC2)CC1	2069520182	UZRVASTXJGZIJK-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCCC[C@H]1C1CC1	2070409089	RYZCHMASAUIAAB-XIRDDKMYSA-N	249.442	4.680	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2CC[C@H]3C[C@H]23)CC1	2071196151	VAFCIFODYBAFIQ-XJCPWDRGSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CCC1	2071925735	IGPFTBZELBRBPK-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)[C@@H]2CC23CCC3)CC1	2072796151	MAACDQXNINFHOR-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2072875104	KLJHULWVTZITMJ-JHJNDJDLSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@H](NC)[C@@]23CCCC[C@@H]2CCC3)CC1	2074640030	AWLBTTCKGZLYHC-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC(N(C)[C@H]2CCC23CCCCC3)C1	2075013728	WYFSSSNUCYICTO-PCKAHOCUSA-N	249.442	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCC)C1CC2(CCCCC2)C1	2077185310	QJYIXQRJCXVPLK-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCCc1ccc([C@@H]2CC(=O)C[C@H](C)C2)cc1	2077925655	XPVKVSIJVBWUND-CJNGLKHVSA-N	244.378	4.502	0	10	BJAE	
CCC[C@]1(C[C@H]2C[C@@H]2C2CCC2)CCCCCN1	2079312203	ORRKYPRWLJCVSU-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@@H]1C[C@H]1C1CCCCCC1	2079522845	LGYVEGZGAJSSBB-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCC1CC1)[C@H]1C[C@@H]1C1CCCCCC1	2079820702	RRSGMFRUOMWMHR-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC(=O)c1ccc2ccccc2c1C	2081778087	AWOGUOKDKNYSST-UHFFFAOYSA-N	238.330	4.687	0	10	BJAE	
CC1(C)CCC[C@@H](CC2(N)C[C@H]3CC[C@@H](C3)C2)C1	2082974804	CFTNGDMKHGMLMK-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CC[C@](N)(CC23CCC(CC2)CC3)C1	2085305137	JPKSYBOPIVRKJE-ODZFXCKXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@@H](CC)C(C)C	2214582676	NBTUCUDHUNIZBC-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(N)(CCCCC2CC2)CC1	2214586477	WIEIVRIHCROIPV-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@H](N)C1CCCCC1	2214767820	PRMRLBPKHMMBIO-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)CN[C@@]1(C)CC=C(C)CC1	2215793511	KOYMKHHVHIEPRQ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
O=C(CC1CCCCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218309418	KSUFZMTUXDGKEW-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218334815	SWMQRXQHQZRRPE-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCC1CC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218362325	WKKITAWVLAVETK-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C1CC2(CCC2)C1	2218720239	HKSOWCMOYKSCLN-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC=Cc1ccccc1)CCCC(C)C	2219085971	PHTIFQDTHDPUBH-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
CC[C@H](NC[C@]1(C)CC=C(C)CC1)C1CCCC1	2221642055	BBZTXUJZURJTSD-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](Nc2ccc(F)cc2)C1	2222261963	UKTKTUXUABWCHY-SWLSCSKDSA-N	249.373	4.843	0	10	BJAE	
CC(C)=CCCNC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222930930	RXPWUHWFIOWFMB-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@]2([C@@H](N)CCCCCCCC3CC3)C[C@H]12	2223110730	QHMCQNGRVSNNAH-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CCCC2)CC=CC[C@@H]1C	2223563709	VZOUWZPZHWMVKV-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
C1=C(C[C@H]2C[C@H]2c2ccccc2)CCCC1	2243237396	LQZLTLSHNKMHOS-HOTGVXAUSA-N	212.336	4.681	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)C1)[C@@H](C)CCC	2246454140	LIYMKYWZAKEHDY-PWUWZPNHSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@](C)(N)CC[C@H]1CCCCC12CC2	2246619928	IHCMDAPZCCAIBC-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C(=O)CC[C@@H]1CCC[C@@H](C)C1)C(C)C	2246681914	WYRWEEXPHVAKLC-ILXRZTDVSA-N	238.415	4.844	0	10	BJAE	
Cc1sc(C(=O)CC2=CCCCC2)c(C)c1C	2246816557	VNEAUGZDZVRHKN-UHFFFAOYSA-N	248.391	4.747	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC1(C)C)C1CCCCC1	2247446918	KQHYRTXDGMXWQN-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
C[C@](N)(CC1=CCCCC1)CC1CCCCC1	2247497936	BONQKBGADIEOQC-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCC(CCC)NCC(C)(C(C)C)C(C)C	2248382441	HUMHCMALSNIXPL-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)CN(C)CCCCC[C@@H]1C[C@H]1C	2248849208	BRFOXNHQBVNSPW-ARFHVFGLSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@@H]([C@H]1CC[C@@H](C)C1)[C@H](CC)CCC	2250360833	YYCPPBDFZAKOGQ-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCNc2ccc(F)cc21	2251636385	NPLBJGGPMZHQBX-RYUDHWBXSA-N	235.346	4.551	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](CCCCCF)C1=O	2251711122	GQXCTIRJRNXGBJ-LBPRGKRZSA-N	242.378	4.548	0	10	BJAE	
CC1CC(CC[C@H](O)CCCCCC2CC2)C1	2251764554	DNPKSLGNYVKUQM-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCN(CC(C)C)C[C@H](C)CC(C)C	2252640105	PTNKTCKAQSDISR-MRXNPFEDSA-N	241.463	4.673	0	10	BJAE	
CCCCN(CC[C@@H]1CCCC12CC2)C1CCC1	2255234328	PPEGWOPZAJYMIS-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC=C1CCN[C@H]1C(C)(C)C	2257242154	SCILCEMPPNBZJN-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)CC12CCCCC2	2257246181	FAKVXUAJCQIJTG-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H]1C(=O)C[C@H]2CC[C@H]1C2	2257315809	NROGXNFXSWZTTN-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@](O)(C[C@@]23CCCC[C@H]2CC3)CCC1	2260615587	JEANCYGBTQIDLD-YESZJQIVSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CCC(NC[C@]23CCC[C@H]2CC3)CC1	2260639016	QNCAPQIXZRNZDO-ZGRYLRDCSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCNc1cccc(C2CCCC2)c1	2260665844	ZAODRYZMNYVRIU-DZGCQCFKSA-N	243.394	4.802	0	10	BJAE	
CCCCCC[C@@H](N)c1cccc(CC2CC2)c1	2260891376	HOXNBXOHLZUONF-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CC[C@H](C[C@@H](O)[C@@H](C)CC1CCC1)C(C)(C)C	2298928258	ZSBQRUWIIKTQBF-NWANDNLSSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)C(C)(C)C1CCCC1	2298945468	AYZPUIALTANNDW-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCc1cc(-c2cc(=S)c(C)c[nH]2)ccc1C	2299660135	JPKWDTKFRROQDI-UHFFFAOYSA-N	243.375	4.590	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(C)c(CC)c1	2299670964	BRRCXBBCCGIZME-INIZCTEOSA-N	233.399	4.528	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CC[C@@H]1C	2300458947	NODGJXMNBNEZSH-WFASDCNBSA-N	231.383	4.576	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CCC1=CCCCC1	2300506321	XMNRCKWPTIIIFX-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@]1(C)CC1(C)C	2300869652	LFKCUBJCUHCIRE-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@H](CO)CC(C)C)CCCC(C)C	2300932910	XYMDMFNRRZFSTG-INIZCTEOSA-N	240.431	4.804	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)[C@H](C)C(C)C	2301923471	JWYCHPTUMOLOET-ZIAGYGMSSA-N	233.399	4.650	0	10	BJAE	
CCCC1(CC(=O)CCC2=CCCCC2)CC1	2301925587	GNIDCMYGCXFNDM-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CC=CC[C@@H](CCC1=CCCCC1)NCCC	2301935882	QPKQHZFELYIIIW-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CC1(C)CC[C@@H](c2nc(CC3CCC3)cs2)C1	2302269821	WVVXLYSEIPGPAF-GFCCVEGCSA-N	249.423	4.779	0	10	BJAE	
CC(C)C1(CC(=O)CCC[C@H]2C[C@@H]2C)CCC1	2302610900	ZAYUAUGVOYYBNA-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC[C@@H]3C[C@H]32)c1Cl	2302835951	IXRSJNALPXPZBP-JHJVBQTASA-N	249.785	4.639	0	10	BJAE	
CCc1cscc1N[C@H]1CC[C@]2(C(C)C)C[C@H]12	2302889021	FXYNWVNTMUWJFI-VNHYZAJKSA-N	249.423	4.547	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC1(O)CCCCCC1	2303505017	BSWAGZJYLAURDA-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@](CO)(C[C@@H](C)C(C)(C)C)CC1	2303584845	UNGAZVSNEWKKNH-ZBFHGGJFSA-N	238.415	4.558	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](O)C2CCCCC2)C1	2304351697	KAGIBSIKLPDZGZ-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC[C@@H]1CCC(C)(C)C1)CNCC	2304429771	ZVUUZRHIGFGKIO-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cc(C)cc(F)c1	2307750114	QXZKTOBCGLUVDP-LBPRGKRZSA-N	236.330	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1cccc(C)c1C	2307846924	WEOMEDUUULXZSV-GOEBONIOSA-N	234.383	4.553	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CCC[C@@H]3C[C@H]23)C1	2309964290	LWCIGIXVBAOZHG-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@](N)(CC[C@@]12CCC[C@@H]1C2)[C@@H]1CC1(C)C	2310383974	ZINXORGYTMCECH-MUIFIZLQSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CC[C@@]12CCC[C@@H]1C2	2310388426	XVUQYDCBIZSUBC-YLFCFFPRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@]12CCCC[C@@H]1CC2	2313290661	GWGZZKBVVNSBQL-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CCCC12CCC2	2316502660	LKQQFDIGGSNAKO-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316739250	PKMKIBLXSJDZOI-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)C[C@H](N)c1cc(F)ccc1C1CC1	2319170948	JGKFBLDNXCSOPZ-INIZCTEOSA-N	249.373	4.529	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	2320384910	IGNVJHYKQSNNDX-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C[C@H]2C=CCCC2)c1	2320518836	XIUVKYLCJOQOOV-YOEHRIQHSA-N	243.394	4.556	0	10	BJAE	
CC(C)C(=O)CCCc1cccc(C2CCC2)c1	2320671600	QWOJBJLHNCAEIV-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC(C)CC12CC([C@@H]3CCC(C)(C)C(=O)C3)(C1)C2	2321563336	YOAPMDSUUXKRJC-NVPAJSRCSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)[C@@H](NC)c1cc(C)ccc1C(C)C	2327683398	ZMIBNUAHGKXPGQ-QGZVFWFLSA-N	247.426	4.815	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cccc(C(C)C)c2F)C1	2327807213	CZQXJSSJXGPLCZ-CHWSQXEVSA-N	249.373	4.940	0	10	BJAE	
CC1CCC(Nc2cccc3ccccc23)CC1	21507898	CBWDXVDQYUCVJR-UHFFFAOYSA-N	239.362	4.830	0	10	BJAE	
CCCCCC(CCCCC)N[C@H](C)CC	37186558	RXPPWLNBWBVOOA-CQSZACIVSA-N	227.436	4.904	0	10	BJAE	
CCc1ccccc1N[C@@H](C)C1CCCCC1	37213383	PSRAHYBOOZEWBU-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
CCOc1c(Cl)c(C)c(Cl)c(C)c1CC	44398839	LJMXIAQNIMNRNI-UHFFFAOYSA-N	247.165	4.571	0	10	BJAE	
CC(C)[C@](C)(N)c1ccc(C2CCCCC2)cc1	71560236	KEYFTSSJXMLSSL-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(C)cc2)CC1	86894049	WBTUNYRTBFEWSX-GJZGRUSLSA-N	231.383	4.766	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cccc(F)c2C)CC1	86907297	MJDYHTHQJDWVQX-ZIAGYGMSSA-N	249.373	4.905	0	10	BJAE	
CC[C@H](C)C[C@]1(O)CCCC[C@@H]1c1ccccc1	87164426	CNBAJRUZILXHJF-USXIJHARSA-N	246.394	4.512	0	10	BJAE	
CC[C@H](C)C[C@@]1(O)CCC[C@H](C(C)(C)C)CC1	87188006	CIMXKWAMEIILKC-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccc2oc([C@H](N)C(C)(C)C)cc2c1	88076539	FLBVMLHAGUSOIJ-HNNXBMFYSA-N	245.366	4.602	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H]1CCC[C@H](CC)C1	92116912	HGZBGWWOTKJSIY-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CCC[C@@H](CCC)CC1	92596556	DHSYCNMMQUCUAH-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](N[C@H](C)C1CCCC1)c1ccccc1	112392336	FZOIDZIARORJNG-RHSMWYFYSA-N	245.410	4.696	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)c1coc2ccccc12	122989959	JGDWLDOQJLKFRE-SWLSCSKDSA-N	245.366	4.520	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1ccc(CC)c(CC)c1	128000289	OMRPVYPMBRXHMA-CXAGYDPISA-N	247.426	4.508	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1cccc(CC(C)C)c1	131712889	OXIHFBAQJGAODN-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
Cc1ccc(F)cc1-c1nc(C(C)(C)C)cs1	131928416	QNRNDAMSGVQYAA-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CC(C)CCCCN[C@@H]1CCC(C)(C)C[C@@H]1C	134297758	SVMNZTGYCZTRNU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)[C@H](CC)CCCC	142377962	ITHBZZQHTXHWLC-CYBMUJFWSA-N	212.377	4.742	0	10	BJAE	
CC1CCC(CNC(C)C)(C2=CCCCC2)CC1	161456153	FBHZQAGXSXFRFZ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@H](C)NC[C@@H](C)C(C)(C)C)c(C)c1	162636233	FSSLOTQRDFQZJM-CABCVRRESA-N	247.426	4.636	0	10	BJAE	
CCCCc1ccc([C@@H](C[C@@H](C)CC)NC)cc1	167242815	IMVNRRFFTAKCRM-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)C1CCCC1	168034593	YJFVHVUEPVSMND-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCCCSc1ccccc1C1CC1	196114126	JMLRLLWCXMBSLM-UHFFFAOYSA-N	220.381	4.846	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1C[C@@H](C)CC(C)(C)C1	216295066	QJVAEGMISDDVGF-QLFBSQMISA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N	222186781	AWUPCWUGNNHHLM-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc2[nH]cc(C3CCCCC3)c2c1	229311291	KDLSBTCETXRLEU-UHFFFAOYSA-N	213.324	4.524	0	10	BJAE	
CCC[C@H](C)[C@H](O)C(CC)(CC)c1ccccc1	233352098	SRZXMMPIQNTWNP-HOCLYGCPSA-N	248.410	4.542	0	10	BJAE	
N[C@H](CC1CCCC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	253041023	KXYIJDKEHSLTOT-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC[C@]1(C)Nc2ccc(Cl)cc2[C@@H](C)[C@@H]1C	258119720	JMDDEOQLKLXSLV-BHDSKKPTSA-N	237.774	4.674	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1cc2ccccc2o1	302295553	GTVPJKIOVUYKMN-TZMCWYRMSA-N	246.350	4.539	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H](C)CC(C)C)NCC	302345871	JNRUPAXOXIZQRT-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CCc1ccccc1C(=O)C[C@H](C)CC(C)C	304188580	TUVOLDUZEAPTNS-CYBMUJFWSA-N	232.367	4.504	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC[C@@H]2C)cc1C	306056872	VQCXMUWUELBZDW-BLLLJJGKSA-N	231.383	4.548	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)[C@H]1CCCC[C@H]1CC	308051493	DNTVDTAOQKPREK-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](NCC)[C@H](CCC)CC(C)C	308056053	PWKADMTYLYRKQJ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC1(C)CCCC1	309408031	VFQKXEFMTSALFJ-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)NCC/C=C\CCC1CCCCC1	310060269	LWCMJBJXDGMEFB-PLNGDYQASA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](O)C[C@@H](C)C(C)(C)C)C1	310420696	NZVGTYDPLZWASU-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C[C@@H](N)C1(C)CCCC1)C1CCCCC1	310477201	KNHSCTYTGYXHMT-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)CC(C)(C)C)C1CCCCC1	310531173	ZHHLXKKMKKBDHT-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)c1occc1C	310666653	DHVZYUCTUDBXPY-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CC1CCC(C)CC1	310770241	OYFJVGORPUDWQE-VDSRIPIWSA-N	246.394	4.553	0	10	BJAE	
CCC[C@H](C)C[C@@](O)(CCC)C1CCCC1	313409186	MPOVUSPYDBKVDG-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@]1(CNCCC)CCC[C@@H](C)C1	317186086	NPFJAKWGMVICLQ-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](CC1CCCCCC1)NC	319987422	GAKMASBPIVVKNP-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@@H](CCC)C1CCC1)C1CCC1	324648707	FMBXMQUXYBKLNF-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1[C@H]2CCCC(C)(C)[C@H]2CCC1(C)C	379695811	GXKYYOMGGFWFAS-UPJWGTAASA-N	208.389	4.885	0	10	BJAE	
CCC[C@](O)(CC)CCCCCC(C)C	383186912	OBGQFRYTFORBET-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
CCc1ccc(N[C@@H](CCC(C)C)C2CC2)cc1	385438024	QZTZLAPRHCQZIW-KRWDZBQOSA-N	245.410	4.876	0	10	BJAE	
Cc1cccc([C@H](C)NCC(C)(C)CC(C)C)c1	391185316	MOKRYZFUONDJBX-HNNXBMFYSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@H](c1ccccc1C(C)C)[C@H]1C[C@@H]1C	394135145	GYMSWDDGQHYHNK-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
C[C@@H](CCC1=CCCCC1)[C@H](O)c1ccccc1	395323870	NSPYBMQNVNEIEP-YOEHRIQHSA-N	244.378	4.637	0	10	BJAE	
CCc1c(C)cc2ccsc2c1C(F)(F)F	396308295	RZUDZTNGPMCQTN-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C)[C@H]2CC2(C)C)cc1	397636559	XELKGHORUPPDIT-SWLSCSKDSA-N	231.383	4.657	0	10	BJAE	
Fc1cccc(CCC2=CCCC2)c1Cl	401145897	HNANKHNDPDSICD-UHFFFAOYSA-N	224.706	4.522	0	10	BJAE	
CCC1CCC(C(=O)CC(C)(C)C2CC2)CC1	405758032	FUTNNOUKBBSEIS-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(CNC(C)(C)CC(C)(C)C)CCC1	687274382	SSECUUWHIBUFTB-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1OCCCC1CCC1	688868372	PWGLZYAWHPBRTQ-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCCC1CCC1	688895666	UXKHANZOBFWQKU-AWEZNQCLSA-N	224.388	4.742	0	10	BJAE	
CC(C)c1cccc([C@@]2(O)CCCCC[C@@H]2C)c1	688910829	CESHGTYICZQZEG-WMLDXEAASA-N	246.394	4.598	0	10	BJAE	
CCSc1cccc(N[C@@H]2CCC[C@H]2CC)c1	689700983	DTVRVHWACOENGL-IUODEOHRSA-N	249.423	4.789	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1ccc(F)cc1C	691140303	QDKHVOSSMUDWDD-XJKSGUPXSA-N	249.373	4.905	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)C1CCC(C)(C)CC1	692057424	FYSKVQDSOCPRNO-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1N[C@@H]1CCC12CCCC2	693792265	DEOYDIZOEMLADT-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@H]1CCCC[C@H]1C1CC1)C1CCCCC1	696105878	RKQGLJIPMVXDFJ-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@H](CNC)c1ccccc1C	696686587	JDZGQGPZZYFVCT-HNNXBMFYSA-N	247.426	4.514	0	10	BJAE	
N[C@@H]1[C@@H]2CCCCCCCCCC[C@H]2C12CCC2	700895372	YOTYFDFRPDZQLO-BZUAXINKSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(F)ccc1NC1C(C)(C)CCC1(C)C	703905152	FZNZRQOIJMLAEZ-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H]1CCCC[C@@H]1C)CC(C)(C)C	704843967	JCVRNPBBXJEUIT-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
CC1CCC(C[C@@](C)(N)C2CCCCC2)CC1	704845936	KIJBUUYFRFJPSJ-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@]1(C)CC1(C)C	705305210	HRZYPGJRRWJBNJ-WBVHZDCISA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(N)[C@@]12CCCC[C@@H]1C2	709278426	PGMZZQKOXVJORK-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)c(C)o1	710750860	DRFDUPQABHRSFE-QFYYESIMSA-N	248.366	4.542	0	10	BJAE	
CC[C@H](C[C@@H](N)c1cc(C)cc(C)c1)C(C)(C)C	711120608	NCHSDXZEEQCJJR-HZPDHXFCSA-N	247.426	4.766	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@H]2CC[C@H](C2)C1)C1CCCCC1	711165485	DECPWQSWAHCMJM-YQFWSFKMSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)CCC1CCCC1	713042793	JLRXPWUPCYMLSW-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(F)(F)F)cc1CC1CC=CC1	713252704	NHTOZDOXJWPFQF-UHFFFAOYSA-N	240.268	4.523	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@]1(C)CC[C@@H](C)C1(C)C	713262539	MQIRNZBUCCYAIY-WWGRRREGSA-N	239.447	4.602	0	10	BJAE	
CCNC[C@@]1(CC(C)(C)CC)CCCC[C@H]1C	713334545	GIHBPOZWMYAZBE-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C\CC[C@@H]1CCCCC[C@@H]1CNC(C)C	713712952	XSOHWTMRBCDNIS-MBZYTVFJSA-N	249.442	4.703	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1c(C)csc1C	724960293	CJPRUYONLPMZSV-GXTWGEPZSA-N	239.428	4.581	0	10	BJAE	
CCC(=O)c1ccc(-c2c(C)csc2C)cc1	724992308	JFTISPZKWMTITM-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
C[C@@H](CN1CCC[C@@H]1C(C)(C)C)CC(C)(C)C	1559575696	KELYTYHFSJFAPV-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCC1(C)CCC(N[C@@H](C)CC2CCC2)CC1	1659765698	BDBRQPPNWHJGBT-JEYLPNPQSA-N	237.431	4.514	0	10	BJAE	
CCC(C)=CCc1cccc2ccccc12	1900899222	YAIOYDJPRDLHIS-UHFFFAOYSA-N	210.320	4.739	0	10	BJAE	
CCC[C@@](N)(CC)CC[C@@H]1CCC(C)(C)C1	1903404218	OZFFTEDNDLUELX-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)CC1CCCC1	1905375035	SYACQJMHIRAYEK-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CC[C@@]12CCC[C@@H]1C2	1908408199	YSSDOUWRLRFDNO-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1C[C@H]1C1CCCCC1	1910660793	ZILOEIZGJZNGLN-LSDHHAIUSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@H](C)C1CCCCC1	1911839708	BBORONQMOBGMLV-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC=CC[C@@H](CCC)c1ccccc1O	1911933797	HURZHIJFONLHBO-CYBMUJFWSA-N	218.340	4.632	0	10	BJAE	
CC[C@H](N[C@H]1CCC2(CCCC2)C1)C1CCCC1	1916400291	OSQNYWWBKRCCMB-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@H]3C[C@@H]3C2)cc1	1917328762	IPLODRLIDODORY-ZMSDIMECSA-N	243.394	4.630	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H](C)c1ccccc1	1919942920	HJPUQHFOWPKKBL-NVXWUHKLSA-N	248.410	4.902	0	10	BJAE	
CCCC[C@@](C)(CNCCC)C1CCCCC1	1924105228	ILVYTRJQQHJGEC-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@](O)(C[C@@H]1C=CCCCC1)C(C)(C)C	1925946814	WJKRUCBJJXVZOI-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@H](Nc1ccsc1)C2	1939222483	SHUOQZNTFBNNID-MRVWCRGKSA-N	235.396	4.519	0	10	BJAE	
CCC[C@@H](C)[C@@H](CC1(C)CCCCC1)NCC	1940412840	ATDJUGVHZYYEJB-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(F)c1cccc(N)c1	1940969196	XQEOILFBTYWMFW-HNNXBMFYSA-N	237.362	4.526	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CCC[C@@H](C(C)C)C1	1941356983	CQSMDIJTMNYYTQ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCCCNc1ccc(C2(C)CC2)cc1	1944599010	WOKGPQJSRLFEGG-UHFFFAOYSA-N	231.383	4.730	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CC[C@H]3CC[C@H]2C3)c1	1947122563	FKGZECILZPYJQU-DYEKYZERSA-N	249.785	4.639	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)C[C@H](C)CCC1=C(C)C	1949001314	JBCKBDGKIVOLJI-ORIJERBGSA-N	237.431	4.523	0	10	BJAE	
C=CC=CCC[C@@]1(N)CCC[C@@H](CCC)CC1	1949010023	GRKOICQGVRJFDO-HZPDHXFCSA-N	235.415	4.587	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)CC1CCCCC1	1949045769	VFTZWLZMVTXNCC-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CCC3(CCCC3)C2)cs1	1949495159	DZFBAWTYMLITHN-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)CC2CCCCCC2)C1	1949551125	IMRIFVDTIHWTBS-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC(C)(C)[C@@H](O)C1	1949683451	SMLFDGMHUACZGV-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CC(=O)CC1CCCCC1	1949907248	LZLZTXPJYNITRN-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCC=CC[C@@H](CC)c1cccc(OCC)c1O	1951308351	FHEIFHDMKGKHCF-CYBMUJFWSA-N	248.366	4.641	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	1968308412	WARXIWVCGIYTRW-VIKVFOODSA-N	246.394	4.755	0	10	BJAE	
Cc1cc(C)cc(O[C@@H]2CCC3(CCCC3)C2)c1	1968308739	YWSSIHGVESVPMU-OAHLLOKOSA-N	244.378	4.795	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1NC1CC2(CCCCC2)C1	1968831078	NOSDQBLHXSMEFW-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H](C)c1ccoc1	1970459702	DIPCMJGVZXIISY-BBRMVZONSA-N	249.398	4.679	0	10	BJAE	
Cc1cc(-c2cc3cccc(F)c3o2)cs1	1972495917	XAPLJSLDULSVMP-UHFFFAOYSA-N	232.279	4.609	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)C(CC)CC	1990093859	PJUDJWUWCLLVFE-HIFRSBDPSA-N	227.436	4.760	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@H]1C=CCCC1)NCC	1996603681	WGAKXTSVFSXMHM-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC1CC(C(C)(C)C)C1	1998241141	QUGLDQGGVUMTPQ-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
CSc1cccc(N[C@@H](C)C2CC(C)(C)C2)c1	1998648271	CKGUPQUYJKPCDX-NSHDSACASA-N	249.423	4.645	0	10	BJAE	
Cc1cc(N)ccc1S[C@@H]1CCCC(C)(C)C1	2000047921	LAUFALPIAWSKQX-CYBMUJFWSA-N	249.423	4.638	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CCCC(C)(C)C1	2002994168	RLEPBWZATKURKP-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
C[C@@H](C[C@H](N)C1(C)CCCCCCC1)C1CC1	2004921956	BSUDXABPQFHNSF-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCC/C=C/CNCC1(C)CCCCCCC1	2004941705	JYDAGTLYLWQDFA-VZUCSPMQSA-N	237.431	4.683	0	10	BJAE	
CCCC(CCC)[C@@H](CC1CC(CC)C1)NC	2007746203	HYLRTGHDHODSCV-ZBCRRDGASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CCCC(C)(C)C)[C@@H]1CC	2009228239	JLERLQOUWCSGGW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(Nc2ccccc2C(C)C)C1	2009296196	DOBLMBDZODQLEG-UHFFFAOYSA-N	231.383	4.801	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](CC)CC[C@@H]1NCC	2009619727	NYOOLCHGGNVIOB-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C2=CCC(C)(C)CC2)s1	2010737414	JFRCVVKWDUPJDR-ZDUSSCGKSA-N	249.423	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@@H]1CCCC[C@@H]1C	2013265664	YIRBFMRTTVCSBQ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@]1(C)CC=CCC1	2013267829	ULIWBESARNFWRU-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C[C@H]1CCCCCCC1=O)C(C)C	2015389421	VWFWTXXGWHIODK-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
CC(=CC(C(C)C)C(C)C)c1cccc(N)c1	2015397021	HPQLYZDDSZVRCG-UHFFFAOYSA-N	231.383	4.600	0	10	BJAE	
CCC[C@@H](N[C@@H](C)CCC=C(C)C)C1CCC1	2016144687	KPFHMQDCBWUHJX-GOEBONIOSA-N	237.431	4.680	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1(C)CCCCC1	2016149538	KMWSTFIFKPPTNL-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1CCC[C@@](O)(CC2(C(C)(C)C)CCC2)C1	2017114061	HYQCAIITINNWHO-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2CCC[C@@H](C)C2)CCC1	2017123437	AOMGLIBHSHCRPY-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H](N)[C@H]1CC[C@H](CCC)CC1	2017658284	LGPLGBDQMRDHTF-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](CC)NC[C@H]1CC[C@H](CCC)CC1	2017662683	LGQSMWQIBRYNTB-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC[C@]2(C)O)CC1	2017718950	IBQFEMKBKRPAFC-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@H]1CC[C@H](C)CC1	2017722107	NTLCDHPRWVWBHE-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@@H](C[C@H]1CC[C@H](CC)CC1)NC	2017730132	DGLMBUCSIPOMEN-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(N)C2(C)CC2)CC1	2017730686	JXPLQHJZKVSMBQ-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C[C@H]1CC[C@H](C)CC1	2017778086	YDMUHDLTVFTVPS-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N(CC(C)C)CC(C)C	2019201420	SHXSTDGGKVAKRN-JKSUJKDBSA-N	239.447	4.569	0	10	BJAE	
Cc1cc(N[C@H]2C=CCCCC2)cc(C)c1Cl	2019508393	ISIDUISGPJLITJ-ZDUSSCGKSA-N	249.785	4.868	0	10	BJAE	
CCCCCC1CC(O)(C[C@H](C)C2CCC2)C1	2019782323	WMQJAZMTKBIHQQ-HLIUYOAVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1COc1ccccc1C(C)C	2022543024	CECJSHIIEBJPTM-ZIAGYGMSSA-N	232.367	4.625	0	10	BJAE	
CCCC1([C@H](O)CCCCC(C)(F)F)CCC1	2023307741	BOUPVORAAHATCI-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CC1(C)CCC[C@H](CCC[C@H](O)C(C)(C)C)C1	2024120579	XJOGLWYQXSKVRJ-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1ccccc1C	2026143464	KOQBSZHGQAGCPR-CZUORRHYSA-N	234.383	4.635	0	10	BJAE	
CCN[C@H](c1ccccc1C1CC1)[C@@H](C)C(C)C	2028558867	ATRLBTJAVJMVBA-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)[C@H](C)C1CC1	2028908833	VJYWHIDDPCAJQD-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CCC(F)F)Nc1ccc2ccccc2c1	2029455314	KXYIBAFYNIHVCZ-NSHDSACASA-N	249.304	4.686	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](O)(C2=CCCCCC2)C1	2030280868	GIIRIQNYKQENOP-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)C1CCC(N[C@H]2C=CCCC2)CC1	2030344536	CGHXBYZARPSPHR-PCKAHOCUSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@]1(N)CCCC12CCCCC2	2032505965	LLKBTCDGWMJVJC-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCC[C@@H]1C1CC1	2032700281	DLOYHILKGVXLTH-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)c1ccc(OC2[C@@H]3CCCC[C@@H]23)cc1	2033479976	SEQXTMFWERCOAC-APHBMKBZSA-N	244.378	4.768	0	10	BJAE	
C1CCCCC(N[C@@H]2CCCC23CC3)CCCC1	2035884099	BYOLGWVEMSWUHB-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C1=CCCCCCC1	2037074493	QCCYWRQYEYDANS-DOTOQJQBSA-N	249.442	4.955	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@H]2CCC[C@H]2C)cc1	2037189137	OKZKTMIIJRLTEM-XYPHTWIQSA-N	245.410	4.636	0	10	BJAE	
CCN[C@H](C[C@H](C)CCC(C)C)c1ccccc1	2038128723	PNEQKSVEYKUNFH-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@@H]1CC12CCCCC2	2039079854	VMXNGLUEZJXZHF-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](N)[C@H]2CCC[C@@H](C)CC2)c(C)c1	2039364510	YKTOINZPLPPEDN-ISTRZQFTSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N(C2CCCCCC2)C1	2041888705	YTQBMPCKXXESTN-VYDXJSESSA-N	249.442	4.610	0	10	BJAE	
CC[C@H](N[C@H](C)CC1=CCCCC1)c1ccco1	2043189773	DLEFSXGXOJBCLX-HIFRSBDPSA-N	247.382	4.599	0	10	BJAE	
CCCNCC(=CC1CC(C)C1)C1CCCCC1	2043238721	HADXAPOTSOYOOM-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@H]1C(C)=CCC[C@H]1C	2045746243	IGFSVOLUYLWPJR-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC)c1c(C)oc2ccccc12	2045807715	CNMJVPXUXGQEMI-CQSZACIVSA-N	245.366	4.582	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)C1(C(C)C)CCC1	2045817999	JGLWGEMPCMJBCZ-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@H]1CCC12CCC2	2047930666	AVZQZGNZEOKSEM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H]2[C@H]3CCC[C@H]32)CC1	2048472745	GGGFXOZAKDCCGG-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C1CC(C(C)(C)C)C1	2048585353	JGRHKCBYFZHXHK-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2C[C@H]3CCCCCC[C@H]32)C1	2048616276	HULCJIRDJYMEPE-JREQNMATSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@@H]1CCCC2(CC2)C1	2049849157	OHJYMBGXBNXNIV-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CC1CCC2(CC1)CC2	2049950556	IGCUYXYEHWBWFO-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(=O)CCCC2=CCCCC2)cc1	2050457507	DBNNHJPZYPAWPD-UHFFFAOYSA-N	242.362	4.848	0	10	BJAE	
CC1=C(C)[C@](O)(C[C@H]2CCC=CCCC2)CCC1	2055606762	FTHZEFNWLCGYQU-DLBZAZTESA-N	248.410	4.764	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCC(C)CC2)c(C)c1	2056537798	YWEXDFPMEWTORL-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC1(C[C@H](N)C2CC(C3CCC3)C2)CCCCC1	2056680556	SXQUTMGEWNPHRR-GPANFISMSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCCCC1)C1(C2CC2)CCCC1	2057598370	QGNOEJXUMXFIPA-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCC)CCCC12CCC2	2059253369	PYDMNLWRVITPON-RCFWFJCLSA-N	249.442	4.683	0	10	BJAE	
CCCCCC1CC(N(C)C[C@H]2C=CCCC2)C1	2059474620	BVDQBIDNYGRQAI-GTPINHCMSA-N	249.442	4.633	0	10	BJAE	
C=C=CCC[C@@]1(O)CCCC[C@H]1C1CCCCC1	2061560007	ATRHKCFTJPHRRT-DLBZAZTESA-N	248.410	4.609	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)CC[C@@]12CCC[C@H]1C2	2061570427	CPGKBADTRZPZFI-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CC(=C2CCC2)C1)C[C@H](C)CC	2061721523	XQWWDUANLTWPTC-DYVFJYSZSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@@H](N)CC1CC(=C2CCC2)C1)C(C)(C)C	2061738050	YFNNAIQMRRQHGF-MLGOLLRUSA-N	249.442	4.667	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCCCCC12CC2	2062015846	BLECMRDZGULJKT-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CC1(C)CCC[C@H]1CN[C@H]1CCCCCC12CC2	2062018248	DHBGTTWJGFGCKB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@]2(N)C=CCC3(CCC3)C2)CCCCC1	2063650896	WZBABMKTFYQJKP-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CC(=O)CC2(CCC2)C1	2063719203	CCVPTSHOOCVJOZ-YCPHGPKFSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC1CC2(C1)CC2(C)C	2064122094	KMUKJJBXQGJWAU-UUCFBXCCSA-N	249.442	4.514	0	10	BJAE	
CCCC1([C@H](CC23CCC(CC2)CC3)NC)CC1	2065310042	IZZXAUUVEGRHPC-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@]1(CC23CCC(CC2)C3)CCCCCN1	2065312711	KWDUNUGHJCOLGM-JCYILVPMSA-N	249.442	4.659	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2067530206	ONUSDRGCUKPCBO-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068709268	ZHIVYTKQJHSSNE-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H](C)CC1(CNC2CC2)CCC=CCC1	2069019483	PHEGFZDYAMNRNG-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@@]2(CNC)CCC23CCC3)CCC1	2069340258	SNUCEGQHJDFQQF-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)C1(C(=O)C2[C@H]3CCCCC[C@H]23)CCC1	2071928552	NNWQSFKBCDULII-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(C(=O)CC2CC3(CCC3)C2)CCC1	2071930976	UAFGSTKFVQDTTB-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@](N)(CC)c1ccccc1C(C)C	2073339708	IKNIVKLJKRFJFI-KRWDZBQOSA-N	247.426	4.954	0	10	BJAE	
CCCC1(C[C@H](O)[C@H](CC)c2ccccc2)CC1	2074614713	SBUUMNGKRUXSMU-CVEARBPZSA-N	246.394	4.512	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)c1cc(C)oc1C	2074643409	FDTWJBKHVWQSIC-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CCCCc1ccc(C(=O)C[C@H]2C[C@@H]2CC)cc1	2077932050	XGKFUXXVVHCREZ-GOEBONIOSA-N	244.378	4.648	0	10	BJAE	
NC1(C[C@@H]2C[C@@H]2C2CC2)CCCCCCCCC1	2079303276	NBBOSEJAENEJQO-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@@H]1C[C@@H]1C1CCCC1	2079726737	VFPXYBBAHUKHJQ-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CNC[C@@]1(C[C@H]2CCCC(C)(C)C2)C=CCCC1	2082986242	LHWYMUYHBGJPQW-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCCC1(CN2[C@H]3CC[C@@H]2C[C@H](CC)C3)CCC1	2084517309	NFMDGNLFIUIKTE-MUJYYYPQSA-N	249.442	4.610	0	10	BJAE	
Cc1cc(NCCCCCCC2CC2)cs1	2210525853	WDOJOCUPONFQCQ-UHFFFAOYSA-N	237.412	4.829	0	10	BJAE	
CCCCC[C@](N)(CC)CC[C@H]1C[C@H]1CC	2211568295	BLDCVISUIYQDSK-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
C[C@H](CCCCCCC1CC1)C[C@H]1CCCN1	2213573299	GFPNNMCSLDVBDH-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
C[C@]1(C(F)(F)F)C[C@H]1C/C=C/c1ccccc1	2213823770	XMYLMFKDGQEEJV-FMQXYTONSA-N	240.268	4.678	0	10	BJAE	
CCCN[C@H](CC)c1cccc([C@H](C)CC)c1	2214058620	ZXPDALCMCWHAQG-CZUORRHYSA-N	233.399	4.651	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@@H]1CCCC(C)(C)CC1	2215338437	GBOCJAGHNIIOKC-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CC1(C)CC2(CCC2)C1	2215392660	HDLLTSFIEHQTKH-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C)(CC[C@H](N)CC2CCCC2)C1	2215395882	NHQOGECFCCFKGS-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC(N)(CC)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216761811	ONLLNLPNAMYFHH-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NC[C@H](CC1CCCCC1)C(C)C	2217145942	UVPAAJLKFATGKG-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C(=C/c1ccccc1)\C[C@@H]1C[C@H]1c1ccccc1	2219076172	MJWRBWFRGPUEES-WGDYAQENSA-N	234.342	4.894	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C1(CC2CC2)CC1	2220025925	UABJPSUBZHPKMU-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](O)c1ccccc1C(C)C	2220858367	DUYHANZACPPLRX-CPUCHLNUSA-N	246.394	4.670	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CC2(C)CC3(CCC3)C2)[C@H](C)C1	2221038094	FHQNVEVEKIFDMZ-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)CCC2CCCC2)CC2(CCC2)C1	2221087857	IDGBMTBAJOENJS-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CCC(C)(C)C2CC2)CC1	2221618048	FPCNQTGACWRITQ-WBVHZDCISA-N	249.442	4.667	0	10	BJAE	
Oc1ccccc1OCCCCCCCC1CC1	2223133060	RQJLFONZXSJWAO-UHFFFAOYSA-N	248.366	4.522	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CC(C)C)c1cccc(C)c1	2223590562	YAXHUPDQXVXTSU-NVXWUHKLSA-N	247.426	4.513	0	10	BJAE	
CCC1(C[C@H](N)c2ccc(C3CCC3)cc2)CC1	2223698622	AYVGMRUFCUPRJB-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC(C)=CCC(=O)CC[C@@H]1CCC[C@@H](C)C1	2242760346	ATNZAPFEMBFBQK-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CC=CCCCCc1cc(OC)ccc1Cl	2243757392	QMHXVDSRHYGGBU-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCC(C)=C(C)C)NC	2244767281	GUZIWNVKHBBLDK-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](CC)C(=O)CCCC[C@H]1C[C@@H]1C	2244784607	VAYVZEJXDPDOIF-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)CSc1ccnc(F)c1	2246111764	XWKDCZIYQPGFIR-LLVKDONJSA-N	241.375	4.529	0	10	BJAE	
CCCCCCNCC[C@H]1CCCCC12CC2	2246640053	WZKXDOODCTXDPN-OAHLLOKOSA-N	237.431	4.517	0	10	BJAE	
CC[C@@](N)(CC1CC2(CCCC2)C1)C(C)(C)C	2246784990	YJKJHRQRGYPKCM-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC1CC2(CCCC2)C1	2246806592	BDBBDARRFRUHAR-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@]1(C)C=CCCC1	2247169487	CYQCWQMHTYAYQP-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
N[C@H](CCCCC1CC1)c1csc(C2CC2)c1	2248049411	ULURMAMKUSJICA-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CCC(C)(C)C1	2248877784	HJJLWIHVGGXRIM-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C1CC(C)(C)C1)[C@@H](CC)CCC	2250356879	GHXSNEPJUIOXBB-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1CCC(C)(C)C1	2250467935	XUCCXGMFTZDKRS-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@@H](C)CC(C)C	2250493162	ZFPOKTDXMPYPSC-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
N[C@H](CC[C@H]1CCCCC12CC2)C1CCCCC1	2253858971	XBTJLOMNPNLTKT-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](C1CCC1)[C@H](N)CC[C@H]1CCCCC12CC2	2253866442	QYYIZXUSSJUMGB-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@H](C)C1)[C@]1(C)C=CCC1	2253937082	UYOWHTBDFLRSJT-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCc1ccccc1OCC[C@H]1CCC[C@H](C)C1	2253938950	PDDMKRPFDLPKNJ-LSDHHAIUSA-N	246.394	4.844	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@H](C)C1)C1(C)CC=CC1	2254000020	ARGWQJNXBBOBNL-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCN(CCCC[C@H]1C[C@@H]1C)c1ccccc1C	2254579302	CYLHUQRVBMGEBU-HOTGVXAUSA-N	245.410	4.648	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CCC23CCC3)CCCCCC1	2254846748	OFESGTAEBBVUQY-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)NCC1(CC[C@H]2CCCC23CC3)CC1	2255258830	LICSGASSZUHSMA-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCC[C@H](CC)C1	2256116333	YAIYUJVGZSQBLE-JSGCOSHPSA-N	249.373	4.769	0	10	BJAE	
CC1(COc2cccc3c2CCCC3)CCCC1	2257463729	KSIKLKJOCBDSQV-UHFFFAOYSA-N	244.378	4.525	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)c1ccc(C2CC2)cc1	2259436740	IIJYBBYEBYZMDN-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@@]12CCCC[C@H]1CC2	2260591187	JVBROVSRWFFSJK-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@]23CCC[C@H]2CC3)C1	2260650186	BQYGWSVDRPHNQR-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC[C@@H]1C[C@@H]1CC	2298125529	JIZIMIPBUKKOCZ-QXSJWSMHSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)C[C@@]12CCC[C@@H]1CC2	2298724471	XFASEXQMMYZDMD-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCN(CCC(C)C)[C@H](C)CC1CC1	2298878583	MFGFPZICSDDLTI-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@@H](C)CC1CCC1	2298879161	QQVGUZFFONVVEL-AWEZNQCLSA-N	239.447	4.712	0	10	BJAE	
CCc1cc(CC2CC(=C3CC3)C2)ccc1C	2299632939	RBXWACKKUNVHQY-UHFFFAOYSA-N	226.363	4.600	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H](C)c1ccccc1	2300676562	QCRNCMQAMKDOED-ZDUSSCGKSA-N	232.367	4.576	0	10	BJAE	
CCC1([C@@H](O)CC=C(C)CCCC(C)C)CC1	2300930376	YYVPUGJVGQPYQV-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
CCCSc1ccccc1NC1[C@@H](C)C[C@@H]1C	2300943155	UCIQUHIVQXCMDT-RYUDHWBXSA-N	249.423	4.645	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CC1CCCCCC1	2301145761	RWMGSACCCOZPBL-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C[C@](C)(CCC2CCCCCC2)CN1	2301188133	IPKDOWIYWATGOR-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@]1(N)CCCC1=CCCCC1	2302354051	MSYSVNGANBHABI-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCCCCC2=O)CC1	2303575554	LSTPNIIFXFENSP-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)CC[C@@H]1CCC(C)(C)C1	2304438015	APPUGRSRNNCGNJ-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
C[C@H](CCCC1=CCCCC1)C[C@H]1CCOC1	2307593889	UVTGWLAXZSHQCV-GDBMZVCRSA-N	236.399	4.720	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cccc(F)c1C	2307763724	OWQSRJJJGXWLMX-GFCCVEGCSA-N	236.330	4.533	0	10	BJAE	
CCC[C@H](CC)CC1(O)C[C@@H]2CCCC[C@H]2C1	2307847392	ZYOFZPXAPTUCFF-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@@H]1CC[C@H]1C1CC1	2307893711	OFBSFQWDPMRQTE-NOLJZWGESA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H]1CCCC2(CC2)C1	2307901188	XSIMEHCRUYMOJC-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC1(CN[C@H]2C[C@@H]3CC[C@H]2C3)CCCCCCC1	2309540080	LXNLFPICBMAAOH-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)C[C@@]23CCC[C@@H]2C3)C1	2310891851	WAJJHIMOYNBVKR-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@@H](C)CCCC(C)C)c(C)cc1O	2313564457	SXTJCLXOSCQXDT-AWEZNQCLSA-N	249.398	4.636	0	10	BJAE	
C[C@H](CC1CC1)[C@@]1(CNC(C)(C)C)CC=CCC1	2313587954	RBUAEPJNSZPPHR-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCC1)N1CCCC2(CCCC2)CC1	2313598947	ICLABQKGIBOINQ-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC=CC[C@H](NCC)c1ccccc1C(C)(C)C	2316503540	QADWVFWELBPZRU-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC(=CCN1CC2CCC1CC2)CCCC(C)C	2316512920	LLVYCJJECXHZPS-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCC(C)=CC[C@]1(O)CC[C@@H](C)c2ccccc21	2316533318	YBZUQUUVKGVWPW-PBHICJAKSA-N	244.378	4.518	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(C3CC3)CCCCCN2)C1	2319030797	OTFPGGNAAWUAQT-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)C2CC3(CCCC3)C2)C1	2319314290	RLMSJQORENIALE-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1CC[C@H]1C1CC1	2319580937	KWPSEXBIRFGBAW-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(OC[C@@H]2CC[C@H]2C(C)(C)C)c(C)c1	2320256589	RBWRLBKJULIIAN-LSDHHAIUSA-N	246.394	4.755	0	10	BJAE	
CCN[C@@H]1CC[C@H](C[C@H]2CCC(C)=C(C)C2)[C@H]1C	2320388042	MNGOHEACWILIPX-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CCC(=O)c1cccc(C2CCC2)c1	2320656849	GLAZFTVDFRCWQA-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
Cc1cc(Cl)cc2c1N[C@H](C1CCCCC1)C2	3715168	UKUAPPVWLMEFRV-AWEZNQCLSA-N	249.785	4.565	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@@H]2C[C@H]2C)c(C(C)C)c1	36866062	COWIBGGUJLBBGL-CSMYWGQOSA-N	245.410	4.589	0	10	BJAE	
CC(C)[C@@H](Nc1ccc(F)cc1)c1cccs1	37210567	PVHLGAHIHMDNHV-CQSZACIVSA-N	249.354	4.696	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1ccc2ccccc2c1	54440646	IYVSEQUZJNFLES-INIZCTEOSA-N	241.378	4.666	0	10	BJAE	
CCCC[C@H](CC)Nc1ccccc1COCC	69376620	VLEIXQLUCLEXNL-HNNXBMFYSA-N	249.398	4.604	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@H](C)C(C)C	70123846	VBYWEIZDEYMOBG-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](c1cc(CC)ccc1CC)C(C)C	70440907	ZHZCYJDHHXYXRI-QGZVFWFLSA-N	247.426	4.508	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(Cl)cc1	71126008	TXTCQYSDFYGQRU-GFCCVEGCSA-N	239.790	4.968	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CCC(C)(C)CC1	79657750	GCBJOQRGGZJZKY-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)c1ccccc1OCc1ccsc1	85152015	PLEYKTRTDSSUGW-UHFFFAOYSA-N	246.375	4.625	0	10	BJAE	
CCCCC[C@@H](C)Nc1cc(C)cc(F)c1	85729508	ROBYCYIWNDLSCJ-GFCCVEGCSA-N	223.335	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCCC)C1CCC1	86487963	URNWUWQPLNVHGF-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CC[C@@H]1CNCCC	133518720	QBKCVRZTNUKRGK-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2ccsc2)c2ccccc21	136971917	YOVVOZQEUIGNRW-XHDPSFHLSA-N	243.375	4.799	0	10	BJAE	
Clc1ccsc1-c1sccc1Cl	143712475	LRQRJVDRVMEFFR-UHFFFAOYSA-N	235.160	4.783	0	10	BJAE	
CCc1ccccc1-c1c(F)cccc1Cl	160400992	NXJNMUDGBBWOSB-UHFFFAOYSA-N	234.701	4.709	0	10	BJAE	
CCc1ccc([C@H](O)CC2CCCCCC2)cc1	162139482	ITKLFGAZTFDLRX-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CC[C@@H](C)C[C@@H]1C	221687301	UMMRRBVWWLPXOM-UGUYLWEFSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@H]1CC[C@@H](C)C1	227416935	WKIXYDMKMZUHKF-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H]1CC[C@@H](CC)C1	227467746	BYTQHZATBAKFRR-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC1(CNC[C@H]2CC(C)=C[C@H](C)C2)CCCC1	233039676	SYEBCQNJGYWWTP-GOEBONIOSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](C)[C@H]1CCCC[C@@H]1CNC(C)(C)C	233338961	DAJHZBZOSDGYDD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1CN	250811470	HQHYFEIHCYFGEY-OAGGEKHMSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](CCC)NCCC1CCCC1	300764175	OILQSILJGWROSM-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](C[C@@H](C)CC(C)C)NCCC	300858862	GEAILVRSHMRITD-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@@H](C)n1ccc2cccc(Cl)c21	304505543	NSHULLPCPRKURG-LLVKDONJSA-N	235.758	4.902	0	10	BJAE	
CCCNC[C@@H](C[C@H](C)CC(C)C)C(C)(C)C	306014314	XHIDSFGYZDXWOJ-HUUCEWRRSA-N	241.463	4.721	0	10	BJAE	
Fc1ccc(C(F)F)c2scc(Cl)c12	306799880	HCKSLBDJLPTFBO-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1cc2c(C)c(Cl)ccc2s1	307130577	SAMOCUTZDATSRG-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Cc1cccc2c1ccn2C1CCCCCC1	310043392	BHMCTFXYEZIMDP-UHFFFAOYSA-N	227.351	4.845	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC(C)C)C1(CC)CC1	310262349	GOKPKFPIYVUFIY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC)CCc1ccccc1C(C)C	310803104	DVWSTTWHDSVAKL-INIZCTEOSA-N	247.426	4.521	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C(C)(C)C1CCC1	322949030	NXGYWQYGHPBPNF-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
COc1ccc(NCCCCCC(C)C)cc1C	383146787	GPMQODAYVAHUMH-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)C(C)(C)C	383776414	IRDIJMICUQGQPC-OAHLLOKOSA-N	233.399	4.507	0	10	BJAE	
c1sc(C(C2CCC2)C2CCC2)nc1C1CC1	383888940	LKIMYHRKCYVDIJ-UHFFFAOYSA-N	247.407	4.704	0	10	BJAE	
CCC(CC)[C@H](NC)c1ccccc1C(C)C	384042500	NAAKZCBDIIDJMX-INIZCTEOSA-N	233.399	4.507	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H]1CCC[C@@H](C)C1	384481925	YWFRJAHIIQZGJT-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
CC(C)C(C(C)C)[C@H](N)CCC1=CCCCC1	384818804	BNETZSYZRVOZLQ-OAHLLOKOSA-N	237.431	4.523	0	10	BJAE	
CCCC1([C@H](NC)c2ccc(C(C)C)cc2)CC1	384974684	LWWDNDSDSUIELJ-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
C/C(=C\CCNC(C)C)CCC1=CCCCC1	384995920	UPKYYPLAJQPQCL-OVCLIPMQSA-N	235.415	4.601	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2cccc3ccsc23)C1	386241572	OYINHRBBXUUHRV-CMPLNLGQSA-N	231.364	4.502	0	10	BJAE	
CC[C@H](C)SCC(=O)CCCCCC(C)C	394755987	AXLLAEBFQULWBY-ZDUSSCGKSA-N	244.444	4.694	0	10	BJAE	
CC(C)NC/C(=C/C1(C)CCCCC1)C(C)C	394787497	PKJYKKCJMUOBFL-PTNGSMBKSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@H](N)C[C@@H](C)C(C)(C)C)c1ccccc1	395033349	LHMLHYMKKGGSIW-FMKPAKJESA-N	247.426	4.580	0	10	BJAE	
C1CCCC(CN[C@H]2CC23CCCCC3)CCC1	395620509	ALDMNPOKNADBTM-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC[C@](O)(CCCCCC(C)C)[C@H]1CC1(C)C	397592923	KJGLNAHHVIZUER-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](N[C@@H](C)c1ccccc1)[C@H]1CC1(C)C	397597671	KUFAWCVJPGNJMZ-IMJJTQAJSA-N	245.410	4.552	0	10	BJAE	
CCCC(CCC)[C@@H](CCCC1CC1)NCC	405721770	IMYYXWRHGWDGEX-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCC(C)(C)C1CC1)C(CC)CC	405825481	QYSHUOMPAKPTDV-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)CC1CCCC1	689810674	VYXKBCOLQHGNPL-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCCC1(CN[C@@H]2CCCCC[C@@H]2C)CCC1	691052869	HTJAUZDXWDAWNO-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CN[C@H]2CCCCC[C@H]2CC)CC1	691185645	KZSCNNCDUZQUQJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC[C@@H]1C	691187344	OTXDYCVQJVEBDF-JJXSEGSLSA-N	237.431	4.514	0	10	BJAE	
CC[C@@]1(C[C@H]2CC3CCC2CC3)CCCCCN1	691776359	LLWBUJWEHLXEKD-BACDZXNISA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)C[C@H](C)c2ccccc21	696683187	KZYTUAQREJVXAA-SUMWQHHRSA-N	246.394	4.598	0	10	BJAE	
CCCCCC[C@H](CN)C1CCCCCC1	696829454	DGYVROFMBAOZLG-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CCCC[C@H](CCC)NCC(C)(C)C(C)(F)F	697132746	AERPYSVDKZGHRB-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCCCCC(=O)CC(C)(C)C(C)(F)F	700372290	ALICMWNRGKDWRZ-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C(C)(C)CC	701163337	VIJFMVMBSBZWHC-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H](NC(CC)(C2CC2)C2CC2)C1	704661241	VMTCREWVWUETAK-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@@H](N)C1(CC(C)C)CCCC1	704869636	XPEFZVXIPIMBLI-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNCC[C@H]2CC=CCC2)C1	706869138	NPGNTPHABHOLEE-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
C[C@H](C[C@@H](N)CC1=CCCCC1)CC(C)(C)C	709182565	CQIHYQPNWDBXEB-UKRRQHHQSA-N	237.431	4.667	0	10	BJAE	
C[C@@H](CC1CCCCC1)Nc1ccsc1	709765449	UWJRKRNOIMRICC-NSHDSACASA-N	223.385	4.519	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1C[C@@H]2CCCC[C@@H]21	712491397	OBAVLZYHIYTHKP-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H]1CC[C@H](CC)C1	713261923	AFIGOSONBYSOFO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CNC)(CC(C)(C)C)CC1	713294045	AKGRYJSXNZGJPT-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC3(CC3)C2)c(Cl)c1	723604200	UNKNTKGVSYFVAP-GFCCVEGCSA-N	249.785	4.783	0	10	BJAE	
CCCCCCC(=O)c1c(C)csc1C	724986459	OQOGLEXCGRQNPI-UHFFFAOYSA-N	224.369	4.518	0	10	BJAE	
CCCC[C@@H](N[C@@H](C)CCC(C)C)C1CCC1	1181533726	AXFJLDLDXYSTNX-GOEBONIOSA-N	239.447	4.760	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1cc(C)cc(F)c1	1650711863	HJTCWQSQXWOEQN-CZUORRHYSA-N	247.357	4.538	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NCC1(C)CCC2(CC1)CC2	1875709307	UIQGTZUXIAPUFR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@H](C)CC1CCC1	1899409312	LLUQUAHLBZPCQJ-LLVKDONJSA-N	238.758	4.606	0	10	BJAE	
CCC(=O)CCCC=C(C)CCCC(C)C	1900839616	VPRVFMJAEPWYKZ-UHFFFAOYSA-N	224.388	4.908	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H](CC)CC(C)C	1905443758	JDTCNKDKMGTSGQ-RRFJBIMHSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](O)C1(C)CCCCCC1	1908557415	YJJNIOIVAIBDRI-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@H]1CCC=CCCC1	1909579392	SAEIKARCTVMBPJ-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC[C@@H](O)CC1CCCCC1	1910760377	AFLGUTDWRJVDPZ-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CCC2(CCCC2)C1	1916403607	YNCZOJLRHJSNAA-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CCC[C@H]2C)C=CCCC1	1916565973	VOEVKZFBGQBKSI-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)[C@H](C)CCC(C)C	1919972815	JJRDFASDOJOVAB-ZNMIVQPWSA-N	228.420	4.636	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C[C@@H]1C=CCCCC1	1925918286	SIBNYZRMRMWIOB-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@H](C)C1CCCCC1	1926368670	WGKSUAVTMBTLHK-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@](N)(CC)CC1CC1	1939405505	SXRQILLDVJVEBX-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC(C)CNC[C@@H](C)CCC1(C)CCCCC1	1940406810	HKDVQFMOQRHRDI-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC1(C[C@H](O)C(C)(C)C(C)(C)C)CCCCC1	1940411405	WFJBEUOEUHDZQA-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@@H](CC)C(C)C	1941271406	DGEJCBUINYZPHI-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)NCCCCCC1CC1	1941581726	NSKMXQNCFOEHJP-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CCCCCC1CC1	1941590671	DGHYTZHFKOMXJV-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](CNCCCC1CCCCC1)C(C)C	1941934223	IWZGDUFEIXIDRM-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CCC(F)F)NCC	1942306742	IBXUOCNYKJVTMJ-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC(F)(F)C(C)(C)CC(=O)C(C)(C)C(C)C	1944631005	HTKUCQRXDGXCPG-UHFFFAOYSA-N	248.357	4.699	0	10	BJAE	
CCCN[C@H](C)C(C)=CC(C)(C)C1CCCC1	1946180810	JXRMOZYBEBTYQO-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@H]1N[C@@H](C)C1CCCCC1	1947462422	NLYVALPRSDTHPM-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@H]1C=CCCC1	1947576943	RJHJUNUJEMEWMN-HNNXBMFYSA-N	238.415	4.556	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CCCCC12CCC2	1947914455	TVJGMGDNOACZJD-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCN[C@@H](C)[C@H](C)CC(C)C	1948333899	VVOFSGIWJPTZHD-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C2(C)CCCCCC2)C1	1948983662	DPTRKIOGTVNQDD-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@H](N)C1(C)CCCCCC1)C1CCC1	1949035727	XWKSQKKXGIGQAX-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](N)C1(C)CCCCCC1	1949061127	WFGSTHKGSXVQFT-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)CC1CCC=CCC1	1949081874	WQCSZWVDTABLQK-GDBMZVCRSA-N	237.431	4.523	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCC12CCC2	1949321351	AUKKDCNMRZWZCA-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CC[C@H](C)[C@]1(CNC(C)C)CCC[C@H](C)CC1	1950923420	GQOVWRDPXCSIKL-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@H](C)NCc1cccc(C(C)C)c1	1963157224	PIXDKTBBZBXTLQ-CQSZACIVSA-N	247.426	4.724	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC1CC(CC)(CC)C1	1963174488	OESGBOVNJAJGRV-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
COc1cc(N[C@H](C)CCCC(C)C)ccc1C	1968870370	LFSHUOPBVHDRJE-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CC1(C)CCC[C@H]1CN[C@H]1CCCC2(CCC2)C1	1970016686	VZNYCSXCRYTVHQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(CN[C@H]2CCCC3(CCC3)C2)CCCCC1	1971295953	LUQYKJWWBAUNKU-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2ccsc2)CC1	1976340083	AJJFCANXIALMSF-RYUDHWBXSA-N	236.380	4.537	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1CCCC(C)(C)C1	1978369042	KIAAZHCJNCITPE-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCCC(=O)CCCC(C)C	1978424321	CSTDZADOBBUFFI-UHFFFAOYSA-N	226.404	4.988	0	10	BJAE	
CC[C@H](C(=O)c1csc(C(F)F)c1)C(C)C	1978577978	MSQMRIGCECVPMT-VIFPVBQESA-N	246.322	4.551	0	10	BJAE	
CC(C)(C)CC[C@H]1CCCCCCC[C@@H]1O	1980351744	QJPYCHGNFGJFLX-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCC1(COc2ccccc2Cl)CCC1	1988432156	ALTFCDHBXLCJEI-UHFFFAOYSA-N	238.758	4.689	0	10	BJAE	
CCCC(C)(C)C(=O)c1cccc(C2CC2)c1	1996616173	KWQZOVOKBLAVGO-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)[C@@H]1CCCC(C)(C)C1	2000052626	WWXUEESFZFVCMC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](Sc2cccc(C=O)c2)C1	2000100432	VYMWXVNMBBMMRE-CQSZACIVSA-N	248.391	4.560	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)[C@H]1CCCC(C)(C)C1	2000161009	BSVBKALWUBZEFQ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1(C(=O)CC[C@H]2CC2(C)C)CCCCCC1	2000213890	QVOBOLOCYDVOMC-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C1(CC)CCCC1	2002504954	RRTPVCHYAZOOMT-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C1CCCCC(NCCC2CCCC2)CCC1	2003098391	FYGULYXYRFWSSZ-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCCCCC[C@@H]1O	2003111212	JUSNSBMHYPPRGX-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](C(C)(CC)CC)[C@]1(C)C=CCCC1	2003322613	RJPDZEDTYSZMSQ-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@H](CC(CC)CC)C1	2006631616	MVEJJCOJVKLDRJ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)[C@@H](NC[C@@H](C)CC(C)(C)C)CCC1	2006924880	HHHWCYXXAUYEJW-WFASDCNBSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C[C@@H]1CC[C@@H](C)C(=O)C1)C1CCCCC1	2006946028	IAXLAOKPVKSUBX-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(C)n1CC1(C)CCC(C)(C)CC1	2007655412	DJFHCNGKZGAPLY-UHFFFAOYSA-N	233.399	4.711	0	10	BJAE	
CCC1CC(C[C@@H](N)C[C@H](C)CC(C)(C)C)C1	2007745997	FWTGCNPVRPULGM-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)C(=O)CC1CC(C2CCC2)C1	2007765284	GZSMZCVCKITDAM-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)C(C)(C)C(C)(C)C	2007939632	JQVSKWKROFDARC-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCc1ccc(F)c(C(F)(F)F)c1	2009594737	VOGVDCRLEFORSA-NSCUHMNNSA-N	246.247	4.743	0	10	BJAE	
CC=CCCC[C@@](C)(CCC)CNC(C)(C)C	2009620310	UGHNKAGNCWQKFK-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@](C)(O)CC(C)(C)C)CC1	2010719439	FKUGTBAKFZGWDF-CJNGLKHVSA-N	238.415	4.556	0	10	BJAE	
C=C=CCC[C@@H](NCCC)C(CCC)CCC	2010977796	RNAYSBZYOQEYKN-MRXNPFEDSA-N	237.431	4.692	0	10	BJAE	
CC/C=C\CN[C@@H](CC)C1CCC(C)(C)CC1	2011033466	ULCWUCKMLGSTBV-LZNQSLFOSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@H]1CCN[C@@H]1C(C)(C)C	2014549185	KCNMJBMLADBRLI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@H](C)C(C)C)CC1	2015271711	NYZFIOBJRKCDBL-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(C(=O)C[C@]2(C)C[C@@H]2C)CC1	2016431274	ZBNCVUARRQIVBQ-USPMSXPRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC1(C(C)(C)C)CCC1)C(C)C	2017138622	LVYULQBTLCWNSV-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)C)CC1(C(C)C)CCC1	2017142981	ZJVAIXMGWXHSSM-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)(CC1(C(C)C)CCC1)C1CCC1	2017143091	JRPGWAHALWURSL-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)C1C[C@H](C)C[C@@H](C)C1	2017786864	BTLJIUCXZWTVRE-MCIONIFRSA-N	239.447	4.568	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C=CCCC1(C)C	2018130525	JLZISQVPMGLTIJ-LSDHHAIUSA-N	237.431	4.680	0	10	BJAE	
CCCC1(C[C@H](CCC(C)(C)C)NCC)CC1	2018995412	ONGBVPUUUHQMBU-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H]1[C@H](C(C)(CC)CC)CCCC1(C)C	2020363109	GPOOUEJHCYPHJF-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H]1CCCC[C@H]1CC	2020973280	DLERHSAMXUVTDG-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)CCCC(C)(F)F)C1	2023314902	VCPFRVJCZSKFEC-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](CO)CC1CC(C)(C)CC(C)(C)C1	2024122304	HIQHUIGXBBPBCZ-CYBMUJFWSA-N	240.431	4.638	0	10	BJAE	
CCC[C@H](C)C[C@@H](CC1CC(CC)C1)NCC	2025431332	DZOGOLJEYFRRDM-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](N[C@H](C)CCC(C)(C)C)C1	2025579147	TWYUGWYZOGAATG-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
C[C@H](CC1(C)CCCCC1)[C@H](N)c1ccccc1	2027315013	ANLQPWWPSFGYON-ZBFHGGJFSA-N	245.410	4.683	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)[C@H]1CCCC2(CC2)C1	2027824159	ZBWSKDRCZYFBQP-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C(=O)C[C@H]1C[C@H]2C=C[C@H]1CC2)C(C)C	2028258007	OACJFIQJFPRDNI-JONQDZQNSA-N	248.410	4.620	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1ccccc1CC(C)C	2028916225	WYGLWZSOQUYQSW-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC2(C3CCCC3)CC2)C1	2029737996	LPLBXTZWUHTDSH-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C(CCN[C@@H]1CC[C@@H]2CCC[C@H]2C1)CCC1CC1	2033064542	PUEYNPGKOZEXQE-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	2033569919	HWCFNBYKSDCGHW-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C2CCC1(C(=O)C[C@H]1C=CCCC1)CC2	2035564588	PZCPLKSTZHWAPK-CBCUQQMYSA-N	246.394	4.518	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2C=CCCC2)CC[C@@H](C)C1	2035603981	XWGITJBUDKEGMR-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2036317736	HFYLMCOCGBRBHD-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCCN(C)[C@@H]1CCC2(CCCCC2)C1	2036770214	BWVRJOANFJHSLL-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
N[C@@H](C1CCCCCC1)[C@H]1CCC2(CCCC2)C1	2037592253	MBEGUEFLTHHCFW-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCC2(CC2)C1)C1CCCCC1	2038571209	INSRTNQGQFIIOL-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@H]2CCC[C@@H](C)CC2)c1	2039377638	VUWNCCJYAZYZNG-DOMZBBRYSA-N	244.378	4.703	0	10	BJAE	
Cc1cccc(N[C@@H](C)C2(C)CCCCC2)c1F	2039862728	QKUUCJXGURTIPI-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CCCC(C)(C)C(=O)CC1(c2ccccc2)CC1	2040723665	MVKZBKFUHBXQKL-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2042338064	AZBPKJBZOJUHCN-ZSHCYNCHSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC1CCC(C)(C)CC1	2043193528	YNRFJMQTTHYFPM-CQSZACIVSA-N	249.442	4.824	0	10	BJAE	
CC(C)NC[C@@H]1CC[C@H]1C[C@H]1CCC=CCCC1	2045328478	FOEMOTFZQAUCHS-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCc1ccccc1CC(=O)C(CC)(CC)CC	2045607740	XHBAWBHDLSBSEQ-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1C(C)=CCC[C@H]1C	2045682627	OXHCCSYYEOLDEF-WCVJEAGWSA-N	248.410	4.764	0	10	BJAE	
CCC[C@@H]1CNCCC12CC1(CCCCCC1)C2	2046229886	JESDHYLYTAFEAL-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@H]2CC23CCCCC3)C1	2047051099	BGGLENWFHFEHMO-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C1CC1)C1CC2(CCCCCC2)C1	2048128911	WTKOZHASNSOJMJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@@](N)(C[C@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2048445165	OARIKSMAESCTLM-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC([C@]2(N)CCC3(CCCC3)C2)C1	2048623700	JPZXPZFRPFKYGR-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)[C@@]1(C)C=CCC1	2050004127	VKSHEKYGFDVGEP-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@H](N2CCCC3(CCCC3)CC2)C1	2051605981	GPOIERYUWKZHSS-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@@H]3CC[C@H]32)c1	2052286431	KXHMFXXMIHBZFZ-KBRIMQKVSA-N	243.394	4.801	0	10	BJAE	
CC1(C(=O)C[C@H]2CC=CCC2)CCC2(CC2)CC1	2056537621	XZEOJDSGNHVAOW-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
CCSc1cccc(SC(C)(C)C)c1	2060344387	QYHODRUDXRJQDB-UHFFFAOYSA-N	226.410	4.689	0	10	BJAE	
CC[C@H]1CC=C(C2(N)CCC(C(C)C)CC2)CC1	2061111956	AQQTWVHWOAHVPJ-UQPPLGOBSA-N	249.442	4.667	0	10	BJAE	
N[C@H](CCC1CCCC1)CC1CC(=C2CCC2)C1	2061736755	KFWTVDPCUGGXNG-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC1(N)CCC(C2CCC2)CC1	2062647230	RDBVIFDWKGENPO-CRYBEJKASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1C[C@@H]2CCC[C@H]2C1	2063510560	PPQISGLKHFFJNL-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](CC23CCC(CC2)CC3)C1	2065285894	KQRCSWANTQFEDP-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCC(=C(C)c2ccc(CN)cc2)C1	2067351468	FEYKNOGWDOIMKG-AWEZNQCLSA-N	243.394	4.519	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C[C@H]1CC12CCC2	2069196359	HFNHQJPPOFXGTQ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C1(CC2CC2)CCC1	2069501577	VONYUWIBBLBTOB-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)C2(CC3CC3)CC2)C1	2069505913	VJVGOELWFBRGIN-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1CC[C@@H]2C[C@@H]12	2071224297	NYZUVQDBAPYPEL-OWCLPIDISA-N	244.378	4.543	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@H]2CC23CCCCC3)CCC1	2071948522	FQXBFDMMTDBMCV-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@@]2(N)CCCCCC23CC3)CCC1	2071952933	HUXZKNWEJTVZHA-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)CC[C@@H]1C[C@@H]1C	2072089659	DIBOZHMAVUKYMO-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
C[C@](N)(C[C@H]1CC[C@H](C)CC1)C12CCC(CC1)C2	2072800021	ZMIGEUKSMBCUOM-ZPBWDRIISA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCCc2occc21	2073346069	LEINTTPHUHHWAQ-UKRRQHHQSA-N	249.398	4.606	0	10	BJAE	
CCCC[C@@]1(C[C@H]2CCCC3(CC3)C2)CCCN1	2073791525	RLWOQMBPFDJJFA-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](C[C@H]1CCC12CCC2)CC1(CC)CC1	2074653135	KXWALXNHGIGAKE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)[C@@H](C)c1ccccc1	2074779972	KDNXFSAQMOMMFB-YOEHRIQHSA-N	245.410	4.648	0	10	BJAE	
CCCCC1CC(N(C)[C@H](C)c2ccccc2)C1	2074789407	NPDATSSBEMRISU-HPUBIQBYSA-N	245.410	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@H]2CCCC23CCC3)C1	2074893625	VYCYOVDQJWGAPN-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CCCN(C[C@H]1CC12CCC2)C1CCCCCC1	2076558995	QWLVXPLLGCFSTM-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1CC(C)=C[C@H](C)C1	2077189763	LHHIOSZPMXBQJO-JQFCIGGWSA-N	249.442	4.703	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)C1CCCCC1	2079530225	NRBZWHYPXHKJEX-XKQJLSEDSA-N	249.442	4.514	0	10	BJAE	
C[C@@]1(CC[C@@H]2C[C@@H]2C2CCCCCC2)CCCN1	2079692831	FQEQORYHRCXMOO-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)NCc1cc(C)cc(C)c1C	2082906285	VBPIHQNPAXPLHL-UHFFFAOYSA-N	247.426	4.670	0	10	BJAE	
CN[C@@H](C[C@H]1CCCC(C)(C)C1)C1(C)CC=CC1	2082980039	RVOOTAKNFJGNPV-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2C[C@H]3CCC[C@@H]3C2)C1	2083019162	ZWKAMWBPTPNKDK-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CCc1cc(C/C=C/c2ccccc2)cs1	2210661916	HEVJEXRBSPWCLE-RMKNXTFCSA-N	228.360	4.566	0	10	BJAE	
C[C@@H]1CC[C@H](CCCCCCC2CC2)[C@H](O)C1	2213580032	JCLKOAXUEVIEBN-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](CC)(CC[C@@H]1C[C@H]1C)CNCC	2215242710	DOJVCITXSPVKBF-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC1=CC[C@@H](NC2CCCCCCCC2)CC1	2215835773	SZTIKXMKOOCVMQ-MRXNPFEDSA-N	235.415	4.578	0	10	BJAE	
CC1(C)CC[C@H]1NCCCCCCCC1CC1	2216876410	XGOCCVQRRZWKNK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@H]([C@@H](C)[C@H](C)CC)C(C)(C)C	2217129323	KDSKVFZZNSUQQW-CBBWQLFWSA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@@H](CCC(C)(C)C)CNC1CCC1	2217157007	PLWRPZVFRGLWNU-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@@H](C)c2ccc(F)c(C)c2)cs1	2217344733	CDHRACFVPOQMQW-NSHDSACASA-N	249.354	4.677	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN([C@H]2C=CCCCC2)C1	2218170153	VASSMNDVUVFYLI-IRXDYDNUSA-N	247.426	4.554	0	10	BJAE	
C[C@H]1CCCC[C@@]1(N)CC1C[C@H]2CCC[C@H](C1)C2	2218356080	JDAWUVCCIUEGTI-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
COc1cccc(C)c1NCCCCCC(C)C	2220301404	NHRKRZJRIQZWQK-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
Cc1ccc([C@H](O)CC2(C)CC(C)(C)C2)c(C)c1	2220999442	AMPBSGGHQJROQB-OAHLLOKOSA-N	246.394	4.553	0	10	BJAE	
CC1=CC[C@H](CN(C)CCC2CCCCC2)CC1	2221611088	ZIQKUHCPYKSOES-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
C[C@]1(C2CCC2)CCCN1CCC1=CCCCC1	2223855406	XVSBMTUMBGGUEL-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
Cc1ccc([C@H](C)[C@H](O)[C@H](C)CCC(C)C)cc1	2223955411	QCUGJXYAJGJDOK-HLLBOEOZSA-N	248.410	4.532	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccc2occc2c1	2224186505	BXKPDXZGYMVQAH-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
Cc1cccc(C)c1CCC1=CCCCC1	2243246054	VWTSWNIYRYZSDT-UHFFFAOYSA-N	214.352	4.736	0	10	BJAE	
CSCCC(=O)CC[C@H](C)CCCC(C)C	2244835916	HFZHOXOJYMYXMS-CYBMUJFWSA-N	244.444	4.551	0	10	BJAE	
CCCC1CC(N)(CC[C@H]2CCC[C@@H](C)C2)C1	2246655373	GERWLQFUHBFCFW-WXLSXGNJSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](C)(O)C2(C)CCC2)C1	2246684910	RLCFWKDRBZOPTL-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@@H]1CCC12CCC2	2247395970	BRVLOKSTJSQYSV-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC[C@H]1CCCC12CC2	2247622262	NIEYJCUPMIDRDT-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C)NCCCCC[C@H]1C[C@@H]1C	2248865918	MKQCZRUQEKEMAH-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(C)c(CC)c1	2250390828	UALDMHLWFNZYTO-CQSZACIVSA-N	233.399	4.796	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)CC1(C)CC1	2250470098	WKGQIHOZLYQUBE-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)C1(C)CCC1	2250479646	XCTXEABLNYIACR-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CC[C@H](C)CCCC(C)C)C(C)(C)F	2250480070	BKURVDZWPVCALJ-KGLIPLIRSA-N	245.426	4.565	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)C1CCCC1	2250482133	SBSMFVMWJGTDOB-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@H]1CCCC12CC2	2255221297	ABLKFFZGPJJNBH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC1(CNc2c(F)cccc2CC)CCC1	2256143990	IVCMKTOXUSTPAB-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
CN[C@H](CCCCCC[C@@H]1C[C@@H]1C)c1ccco1	2257248208	RRLLAGLKOKEWRH-RRFJBIMHSA-N	249.398	4.537	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNC12CCC(CC1)CC2	2257314277	YKXFELZJYZJEMP-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(F)c1NCCCCC[C@@H]1C[C@H]1C	2257329102	SHEOVRSSAASMFG-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@@]12CCCC[C@@H]1CC2	2260495857	ZTWTXLXFVKXDCT-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@]12CCCC[C@@H]1CC2	2260615506	ZETJXTPESPYAEP-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC1CCC1)[C@@]1(N)CCCC(C)(C)CC1	2298948004	KGDFWVBQTZLNII-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@]1(C)C[C@@H]1C	2300459284	NVVWDNOCAWYDEN-XJKSGUPXSA-N	231.383	4.576	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)[C@@H]1C[C@H]1CC	2300672884	BDSHDAUHLOMQTI-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)CC(C1CC1)C1CC1	2300681429	OUUPXWAQZOLZPJ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CCC(CC)CC)C1	2300701350	QRFADUYMACJPFM-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
O[C@@H](CCCCC1=CCCCC1)C1CCCC1	2302352166	QKUJWBOORPPCQY-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@H](CCC[C@@H]1C[C@H]1C)NCC	2302611178	BLDCBDOJYNVTMD-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCC(=O)CC[C@@H]1CC[C@H]1C1CC1	2303145845	BORWCGVEKCMJHL-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CCC2(C)CC2)CC1	2303595821	YCZFXKOLLCZOJA-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@](C)(N)CCC2CC2)C1	2304447599	PMPQOJHMTQNFHL-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC[C@@H](C(C)C)C1	2307822063	GWEZYYSGKRYIOH-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)CC1(N)CCC(C)(CC)CC1	2307897254	AEKMRJPHCUOYNV-QQFBHYJXSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1C[C@@H]1CCC[C@H]1C	2308414135	VIFBLBAXZWULCF-NYTXWWLZSA-N	243.394	4.658	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CC[C@H]3C[C@@H]2C3)CC1	2311022949	RJUZDKCJRZVWRV-VIQHNZTISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C[C@@]12CCCC[C@@H]1C2	2311142693	DHRFULREFXZLMJ-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@H]1C1CCCC1	2311525935	MLLMNRQMRSETMD-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2313321690	SHJSRLPMTRLAGE-DLTWYDFYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)C(CC1CC1)CC1CC1	2313596153	GKSHZORZAFSQNJ-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CC1CCCCCC1	2317010916	SNNDWCYLAUSDCG-PBHICJAKSA-N	248.410	4.908	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)c1cc2ccccc2o1	2317831775	PZAUYUKBEYALJB-NWDGAFQWSA-N	244.334	4.544	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC(C)(C)[C@@H]1C	2318187524	DCIWAFQIVFZASU-IAQYHMDHSA-N	249.373	4.796	0	10	BJAE	
Cc1cc(N[C@H](C)CCCC(C)C)cc(C)c1O	2318432773	LFKUCKQWQXNGIE-CQSZACIVSA-N	249.398	4.636	0	10	BJAE	
O=C(CCCC1=CCCCC1)CC1C[C@@H]2C[C@H]2C1	2318513732	YYVGTPMSINTUND-HZPDHXFCSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2CC[C@H]3C[C@@H]3CC2)C1	2319292912	KPDDTHRJCMMURI-SNPRPXQTSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1NCCCC1=CCCCC1	2320143016	GNKDLOKYNQGLAG-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CN[C@H]1C=CCCCCC1	2320161553	XVTXIURTOPVPEV-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CCCCCC[C@H]2C)CC1	2320389508	AUEAQTANEVTHMX-SJORKVTESA-N	249.442	4.778	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H](C)c2ccccc2C)CC1	2320412159	NDLCDAWJAWTCNV-HOTGVXAUSA-N	243.394	4.535	0	10	BJAE	
Cc1ccccc1-c1ccc(C(=O)C(C)C)s1	36666774	NXEOLIDFGFCIOY-UHFFFAOYSA-N	244.359	4.562	0	10	BJAE	
CCC(CC)[C@@H](N[C@H](C)C(C)C)c1ccccc1	37107779	WQWRZXRCVXXLLG-RHSMWYFYSA-N	247.426	4.798	0	10	BJAE	
CCC[C@H](C)CC(=O)C12CC3CC(CC(C3)C1)C2	55270293	DDDTVCHQIFLQKH-ORVZXPRGSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)C(C)(C)C	71083951	VWAHMRYDCWKJOJ-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@@](CC)(CCCC)CNC	82441822	DBUAWCWHZWMNFT-OAHLLOKOSA-N	227.436	4.763	0	10	BJAE	
Cc1ccc(NC2C[C@@H](C)C[C@H](C)C2)cc1C	84462311	NHHBADNNBVKPCM-RYUDHWBXSA-N	231.383	4.540	0	10	BJAE	
CC(C)c1ccc([C@@]2(O)CCC[C@@H](C)CC2)cc1	86892859	PHSVCUZHVYEWRS-RHSMWYFYSA-N	246.394	4.598	0	10	BJAE	
Clc1ccc(NCCC2CCCCC2)cc1	87473313	VNDUOTGFKRQZJO-UHFFFAOYSA-N	237.774	4.722	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCC(C)(C)C1	87769855	FWZRHHWDHKOXRG-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCCC(C)(C)C2)c1	91510102	JXMJLBBAVPWWOS-ZDUSSCGKSA-N	235.346	4.515	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)c1ccc(C(C)C)cc1	109718241	DMJRNRMPRQMJJU-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cccc(F)c1C	109939507	PGCFGHYGZOCESD-GFCCVEGCSA-N	237.362	4.905	0	10	BJAE	
CCC(C)(C)[C@H](N)c1c(C)c(C)c(C)c(C)c1C	110199078	YOHUJKJQEIGYIX-MRXNPFEDSA-N	247.426	4.665	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CC)Cc1ccccc1	116383546	OOVZCEMCYXJOTB-DOTOQJQBSA-N	247.426	4.566	0	10	BJAE	
CC1(C)CCC[C@@H]1NC1CCC2(CCCC2)CC1	129436329	UUWPEZIOKSYCPM-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2CC[C@@H](CC)C2)n1	132242615	UEZQBJZLMKTZFS-TUAOUCFPSA-N	237.412	4.950	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C1CCCCCC1	148406076	BZWGCOHLIVGVQP-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1N[C@H]1CCC(C)(C)C[C@H]1C	155834424	HLQUAUXEGKPKQB-HIFRSBDPSA-N	231.383	4.622	0	10	BJAE	
CCCCCCn1ccc2c(Cl)cccc21	158081101	SYKINFXGIWTTCG-UHFFFAOYSA-N	235.758	4.875	0	10	BJAE	
CCCN[C@@H](CC(C)C)CC1CCCCCC1	168002238	MRFYKYSLGXNLTK-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)CC(=O)c1c(Cl)cccc1Cl	168051583	RYQIILDTVCTTAC-QMMMGPOBSA-N	245.149	4.612	0	10	BJAE	
CCCC[C@H](NC(C)C)C1C[C@H](C)C[C@@H](C)C1	222193089	MQWKATHQHRNQHR-FMKPAKJESA-N	239.447	4.616	0	10	BJAE	
Cc1cccc([C@@H](N)[C@@H]2CCCCC2(C)C)c1C	226828040	HOFXYAQFVOPDHO-JKSUJKDBSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C2CCCCCCC2)C1	227038932	ANYVACXMCDTGLT-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@@H](C)C1)C(C)(C)CC	229470214	KVGOLQQKNJCXSE-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C[C@H](C)CC(C)(C)C)c1	229472939	XVQRLWMRGPROQB-HOCLYGCPSA-N	247.426	4.766	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1)C1(C)CCCCC1	233575920	CHBGHHPJNAKOCZ-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
C[C@H]1CCC[C@H]1c1c[nH]c2c(Cl)cccc12	235555381	GXCSIDYDTQZNBO-VHSXEESVSA-N	233.742	4.725	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2cc(C)cc(C)c2)C1	235677491	GMCBKLDVCKUOMY-WBMJQRKESA-N	243.394	4.708	0	10	BJAE	
CNc1cccc(-c2cc(C(C)C)ccc2C)c1	259055283	AUNRJESQINYALJ-UHFFFAOYSA-N	239.362	4.827	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1ccc(Cl)o1	300060278	ZNLDEPLAPKPKSP-WDEREUQCSA-N	244.762	4.573	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCC(C)(C)C	300966597	ZERSUKARGKHOKA-CQSZACIVSA-N	227.436	4.747	0	10	BJAE	
Cc1cc(Cl)ccc1NCCCC(C)(C)C	300968919	PEIWQILMYMDNRI-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CC(C)C[C@@H](C)CCC[C@H](O)c1ccccc1	302347848	MRHMKAQHDOMYSX-HOCLYGCPSA-N	234.383	4.573	0	10	BJAE	
C[C@@H]1CC(C2(N)CCCCCCC2)C[C@@H](C)C1	302484164	HWMOCEMNTQREFF-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CCC2CCCCC2)C1	304128372	QELBTAJLHZUJHO-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCNCC1(CCC2CCCC2)CCCC1	305901463	BCLATJIDBJERTM-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1ccc(CC)c(CC)c1	305948681	CLNLWCSGSUOENW-DYVFJYSZSA-N	247.426	4.638	0	10	BJAE	
Cc1cccc(C)c1C(=O)CCC1CCCCC1	306025604	ZEGDRFUVOGGLCA-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CCCc1sc2ccccc2c1Cl	306625213	GKZLEIBOIGAORU-UHFFFAOYSA-N	210.729	4.507	0	10	BJAE	
CSc1c(Cl)cc2ccsc2c1Cl	307278801	VMKSIZAJLNWGCG-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](O)C2CCCCCC2)C1	310115729	GYUKXNMPNDPNJR-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCCCC12CCCC2	310254029	KVVDBJCGMZYLKW-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
C[C@H](C[C@H](O)C1CCCCC1)C1CCCCC1	310362611	UWRJJMPCAIVTOQ-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(O)CCC(C(C)(C)C)CC1	319046059	UYMPAPJKIPBIEC-ILGZHXLLSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@]1(O)CCCCC12CCCC2	319059582	WTDHUFZSHKHWSP-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(CC2(CN)CCCCCC2)CC1	380030098	GDHAKAKKYBWDPC-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC1(C)CCC(C[C@H](O)C2CCCCC2)CC1	380174722	NROZXUNYDMQAIM-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](O)CC1(C)CCCC1	381427618	FLOFSOGYSLUNRL-HOTGVXAUSA-N	246.394	4.512	0	10	BJAE	
CC(C)CCCCC[C@H](O)CC1CCCC1	383173886	LOKXWPFAIBFNSK-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CN[C@@H](CC[C@H](C)C1CCCCC1)C(C)(C)C	384178196	YLWRSOKOTGRULU-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)c1ccccc1C(C)C	388016474	OCWQJRMCRAMUMA-BBRMVZONSA-N	244.378	4.675	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@@H]2CC)cc1C	393939070	VRHMXVZOYGKLQI-HOCLYGCPSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CCCC12CCC2	394776259	ONCKDECWLSCEPM-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC/C=C\CC[C@@H](C)c1ccc(C)cc1O	394930254	LPIMSHLHHAJDKG-CFHLNLSMSA-N	218.340	4.551	0	10	BJAE	
CCC(CC)(CC)CNCC1(CC(C)C)CC1	395145463	LEEDOCOJKMLNFL-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)(CC)CNCC1(CC)CCCC1	395210561	IITVICQMPONEHG-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C[C@H](C(=O)c1cccc(C2CCC2)c1)C(C)(C)C	399227721	YFZVDEMTDVXYDZ-GFCCVEGCSA-N	244.378	4.819	0	10	BJAE	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCCCC1	403652269	RJGYIIIRCALOJO-BMFZPTHFSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCCC1CCC1)[C@H]1CCCC2(CC2)C1	688388361	HUJZSVQAECHKSO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc([C@H](O)C(C(C)C)C(C)C)c1	688941417	YYEPZBKBYFBNFW-KRWDZBQOSA-N	248.410	4.772	0	10	BJAE	
CCC(C)(C)CC(=O)CC(C)(C)C(F)(F)CC	691069850	VEOXNNJPPWZHGR-UHFFFAOYSA-N	248.357	4.843	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cc(C)cc(F)c1	696671454	IDIAHHFDENWFMJ-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCC(C)(C)CCC1(N)CCC(C(C)C)CC1	696805031	FAAJHSNBOYYSMX-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1ccccc1C(C)(C)C	697580654	JMSAWVZQWYSMCB-MRXNPFEDSA-N	246.394	4.764	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C[C@@H](C)CC(C)(C)C	697759041	PCACWADLDIWDJS-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@@H](CCC=C(C)C)C1	697775435	XOAYYEPCOKTGLU-OWCLPIDISA-N	237.431	4.524	0	10	BJAE	
CC(C)CC1(C(=O)CC2C[C@@H]3C[C@H]3C2)CCCC1	698118924	YRWXJESVSQLEOE-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@]1(C)CC1(C)C	702187377	PRSYJJTUVUBXSH-IUODEOHRSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(N)CCCCC[C@H]1C(C)C	704461625	PUIUVHQUUHYVFC-HRCADAONSA-N	239.447	4.602	0	10	BJAE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@]1(N)CCC1CCCC1	704466080	PQOIBXCRTVLQAG-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1[C@H](O)[C@@H](C)CC(C)(C)C	704750212	FVMFFDMFHONWNI-XJKSGUPXSA-N	248.410	4.745	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@@H](C)CC(C)(C)C	708248810	LHXABSLTFOQDHF-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCC[C@@](N)(C[C@H](C)CC(C)(C)C)[C@@H]1C	709145213	OHMLSRUQPHDQSC-HLPPOEQASA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@H](C)CC(C)(C)C	709151234	ZSLAKWHLHRZXOB-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CCc1ccc(C(=O)[C@H](C)CC(C)(C)C)cc1	709255719	ATKZIWDMTFYANN-GFCCVEGCSA-N	232.367	4.504	0	10	BJAE	
CCCCC[C@H](N)c1cccc(C(C)(C)C)c1	709503890	ZPEMINZHQUSNGU-HNNXBMFYSA-N	233.399	4.564	0	10	BJAE	
CC[C@H](Nc1csc(C)c1)c1cccc(F)c1	710728321	JEYGLBLDGPCMSA-AWEZNQCLSA-N	249.354	4.759	0	10	BJAE	
C=C/C=C/CC[C@@H](O)c1ccccc1C(C)(C)C	713668444	XBIVKNPTFOLROA-FYCOFBDGSA-N	244.378	4.540	0	10	BJAE	
CC(C)c1ccccc1OCCCC(C)(F)F	718578792	YTLQIQBHEWNFEK-UHFFFAOYSA-N	242.309	4.624	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@H](Nc2ccc(C3CC3)cc2)C1	821906177	ODBRIONNKMAFNI-PBFPGSCMSA-N	243.394	4.801	0	10	BJAE	
C1CCC([C@H](CNC2CC2)CC2CCCC2)CC1	829254449	JDZZKJKOBIBHHV-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C=C/C=C/CCSCC(C)(C)C(C)C	1614966416	MGUBSMCJQOYZKI-BQYQJAHWSA-N	212.402	4.534	0	10	BJAE	
C=C/C=C/CCOc1cccc(Cl)c1Cl	1656054131	XLXKYMIFAXGMIR-ONEGZZNKSA-N	243.133	4.505	0	10	BJAE	
CC(C)CCC[C@@H](C)NCC=Cc1ccccc1	1876555189	BIYVDESZNXGARS-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
CC(C)CCC[C@@](C)(O)[C@@H](C)CCC(C)C	1900585000	ZRVWHBGCJBEMSK-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
CCC[C@@H](C)Nc1cc(C2CC2)ccc1Cl	1900703859	OJBCIUGVWBQCAL-SNVBAGLBSA-N	237.774	4.818	0	10	BJAE	
CCC(C)=CCOc1cc(C)c(Cl)cc1C	1900822012	AFQOLLRIYGCMKB-UHFFFAOYSA-N	238.758	4.692	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCCC(C)(C)C1	1900882533	LKBQXWDEUKVLBH-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CC(C)=CCC(=O)CCCC1=CCCCC1	1901962703	QEAFLDDXJSKEIK-UHFFFAOYSA-N	220.356	4.583	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)CC1CCCC1	1905361252	NSTAYLJWMKXGMX-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)CCC1(CN)CC2(CCCCC2)C1	1912550190	AQRSTTXWZYLSJR-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CN[C@H]1CCC2(CCCCC2)C1	1915864328	CLZBJECYOBIRBN-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@](C)(O)C[C@H](C)C(C)(C)C)c(C)c1	1919933035	DCYNKDJTZWISTM-YOEHRIQHSA-N	248.410	4.583	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCC(C)(C)C[C@@H]1C	1926159228	IANTYBHXQXQZRU-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(NCCC(CC)CC)cc1C	1926162457	RHGDWRQTAVCHDM-UHFFFAOYSA-N	233.399	4.796	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cc(C)c(Cl)s1	1926366917	KAXDSWKCFJBSPX-SNVBAGLBSA-N	246.803	4.570	0	10	BJAE	
CC(=Cc1csc(Cl)c1)c1ccc(N)cc1	1935989954	YZHHCBHLXDBDLD-UHFFFAOYSA-N	249.766	4.544	0	10	BJAE	
CC(C)c1csc(C2C[C@H]3CC[C@H](C2)C3)n1	1937827946	ZRQNTMADUFLDDJ-QWRGUYRKSA-N	235.396	4.560	0	10	BJAE	
CCc1csc(-c2ccccc2C2CCC2)n1	1941959021	FCLPLFVDNNDUOJ-UHFFFAOYSA-N	243.375	4.640	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)([C@@H](C)CCC(C)C)CC1	1942658072	OTCQDEMDSQSICN-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CCCC2CCC2)C1	1943041007	FPNKZZMUDXTRCX-NHAGDIPZSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C(=O)C(C)(C)C2CCCC2)CC1	1944634854	LNQOXSAXGUIIGG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1N[C@H](C)CCC(C)(C)C	1947525529	OZMDLIHVSYKJPZ-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
C1=C[C@@H](CNc2cccc3ccsc23)CCC1	1947605982	YWGAPGVTMPJYHI-GFCCVEGCSA-N	243.375	4.670	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)NCCC1=CCCCC1	1948326700	MMZPCONBIITYBO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC([C@](C)(O)[C@H](C)CC(C)C)CC1	1948333276	RHJWWGVGHTZSOA-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H](C)C1CCC1	1949039073	AOLCOQSRBJYZRR-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCC(C)=C(C)C)CC1	1949046690	HMWOROAOMSHVEU-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)[C@H]1CCCC(C)(C)CC1	1950913136	DWOSISPXPNNMNF-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CC=CC[C@H](C)c1c(C)cc(OCC)cc1C	1951308665	LDJKMASUSGULMX-LBPRGKRZSA-N	232.367	4.772	0	10	BJAE	
CC[C@@H](C)N(Cc1ccccc1)CC(C)(C)CC	1953230811	LYMLHVPTQHAYGD-OAHLLOKOSA-N	247.426	4.723	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CCC[C@H](CC)C1	1963238398	RIAKDWGTCCUJFM-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)CNC[C@H]1CCCC(C)(C)C1	1964072391	CROOFVUMYMELMT-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCCC1CC(N[C@@H](C)c2ccccc2C)C1	1968413493	GBEQROHECWJTBA-FHERZECASA-N	245.410	4.614	0	10	BJAE	
C[C@H]1CCC[C@H](C)C1NC1CC2(CCCCC2)C1	1968831077	NOSDQBLHXSMEFW-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1969956028	XYEMNTJADQLLKL-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](CC)(CN)CCC(C)=C(C)C	1978626099	JIWZGXGYELZNCF-OAHLLOKOSA-N	225.420	4.668	0	10	BJAE	
C/C=C/CCCn1ccc2cc(Cl)ccc21	1984593840	VWNVPCLFORITOL-NSCUHMNNSA-N	233.742	4.651	0	10	BJAE	
CC[C@](N)(CCC(C)C)[C@H](C)CCC(C)C	1986938795	PQAJYAVKUVSMHH-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
CC(C)=CCC(=O)C[C@H]1CCCC(C)(C)C1	1994027356	ZQEHIDQXGLCWGE-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)C1(C)CCCCC1	1995984624	BNMNWGWLOCWANJ-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)C2CCCCCCC2)C1	1996232852	SHECPQBXQNTRDD-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)CC2CCCCCC2)C1	1996239939	WOBNYRWHIDONBM-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCc1ccc(-c2cccc(O)c2Cl)cc1	1996282121	YDKHWYSGLZJQEI-UHFFFAOYSA-N	246.737	4.665	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@H](C)CC(C)C)CC1	1997108176	GYNZQDMJFWFZSG-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(O)CCC2(CCC2)C1	1998699529	RAVLRFYYWSTWLZ-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
O=C(CC1CCCC1)C[C@H]1CCC=CCCC1	1999978940	KJZDQHLECSCPON-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@@](CC)(CCC(C)=C(C)C)CNC	2000505363	QECZRKVLGMIDDC-INIZCTEOSA-N	239.447	4.929	0	10	BJAE	
CCCC[C@@](C)(CCC=C(C)C)CNCCC	2000517779	HGGRFLXLMYKFGP-INIZCTEOSA-N	239.447	4.929	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@](C)(N)C1CCCCC1	2002920558	GCENLPQHOGRQQZ-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CCCCCC[C@H]2O)C1	2003097465	ATCXCIIOAMCZOH-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CCC1CC1)NC1CCCCCCCC1	2003100674	SDZDBNKZMHGYRI-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1CCCCCCC[C@H]1O	2003115745	CZPPRVIZCTXODT-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H]1CCCCCC[C@@H]1CC(C)(C)C	2003115890	FFPQIABYKOYTIS-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@H]2CCCCCCC[C@@H]2O)CCCC1	2003120528	ZVVXCFCVTPXUMI-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCC(CC)C[C@@H](O)CC1CCC2(CC1)CC2	2003191927	QTBLOUBBNYSTDF-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC[C@@H](N)c1cccc(C)c1	2003648250	VWMYIWQQLFRZJV-OAHLLOKOSA-N	233.399	4.601	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CCC)c1ccco1	2003685519	LMCUWOGQJNEGQY-KBPBESRZSA-N	237.387	4.537	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCC[C@H](CC)C1	2004711906	OMSCOUQHRFWNIA-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@]1(CNC(C)(C)C)CCCCC12CC2	2005563317	JMPQMQGKZKDWFE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CO)CC1(C)CCCCC1	2005584180	UQPWJZSFYQZSPA-ZBFHGGJFSA-N	238.415	4.536	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)c1csc(C)c1C	2007942103	HYMUCDYIRZDCQU-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@@H](C)CC[C@H]1NCC	2009628892	PAADIGNUJUEQFX-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C[C@H](C)CC)CC(C)(C)C1	2012042502	VJCMQMNBLJQYKJ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@@H](C)C[C@@H]1C	2013263944	KALNVEHYBZHOGE-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](CCC(C)C)NCCC1=CCCCC1	2013265375	WEBROTXSKLFURC-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(N[C@H](C)C2(C)CCCC2)cc1F	2014338594	IVELKDTVBGZKRA-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@H](C)C(C)C)CCCC1	2015274896	MAKHCHDEHDSZEJ-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CCCCC1CC(N)(CC(C(C)C)C(C)C)C1	2015409294	PNYCJTNGERCHCB-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CCC1(C[C@@]2(O)C[C@H](C)CC(C)(C)C2)CCC1	2015596915	XFTDTDWNQWYGMV-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@]2(O)C[C@H](C)CC[C@H]2C)CCC1	2015641092	ZXJIELWHBAQHHV-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](N[C@H](C)CCC=C(C)C)C1CCC1	2016144686	KPFHMQDCBWUHJX-GDBMZVCRSA-N	237.431	4.680	0	10	BJAE	
CC[C@@](C)(CNC(C)C)CC1(C(C)C)CCC1	2017145989	OBKVXORMRBZJQB-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(F)CN(C)[C@@H]1CCCC(C)(C)CC1	2017462746	DZFWSUOEQCGQTQ-CYBMUJFWSA-N	241.394	4.541	0	10	BJAE	
CC[C@](N)(C[C@H]1CC[C@H](CC)CC1)C1CCC1	2017729731	ZRCKDMMPUKPXMB-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(C)CCC(=O)C2)CC1	2017773603	COKFCQYSFUEHJJ-IIAWOOMASA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CC)NCC1(C(C)C)CCC1	2018128943	GUTIYBLTCMHZSQ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC1(C[C@H]2C[C@H](C(C)(C)C)CCC2=O)CC1	2018921527	ODHDLTVXBQNZCH-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCC[C@H](C)CC2)CC1	2018997404	YAZJXFFQKKUDQH-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1(CC)CC1)NCCC	2018999902	NPMZNLGTVBCYFO-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)Nc1ccccc1C1CCC1	2021027456	ZYTCRVVGMQLCPT-AWEZNQCLSA-N	231.383	4.945	0	10	BJAE	
CSc1ccc(NC[C@H]2C[C@H]2C(C)(C)C)cc1	2022477469	LGBHAAMRMMISHH-BXUZGUMPSA-N	249.423	4.503	0	10	BJAE	
CCCCCC[C@@H](N)[C@H]1C[C@H]1C1CCCCC1	2022549531	KHXCBRLHRDWTCC-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@@H]1CCCC(C)(C)C1)NC	2024101437	KQDRBOBJBFLCQW-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H]1[C@@H](C)CCC[C@@H]1NCCC	2024517430	RMAMAEYMGCHWIE-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC1CCCCC1	2026139423	ANQBCKDGHQMPDF-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1cccc(C)c1	2026165565	CLLWHGMTXXKNCX-CZUORRHYSA-N	233.399	4.601	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H]1CC[C@@H](C)C1	2026170980	TYANATJGNUBFAY-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1ccc([C@H](N)CCCC2(C)CC2)cc1	2027829745	FBLKKLDNGBSLKS-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CC[C@@]1(C(C)C)Nc2cc(C(C)(C)C)ccc2O1	2027876575	XXEFJJJGKMMRRC-MRXNPFEDSA-N	247.382	4.551	0	10	BJAE	
CCCc1ccccc1[C@H](C[C@@H](C)CCC)NC	2027903677	OQHCIOGTPWRGMK-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccc(C2(C)CC2)cc1	2028606480	WIVJLFBTSRZDHC-XJKSGUPXSA-N	246.394	4.598	0	10	BJAE	
C[C@@H]1C[C@@H](NCC2CCC=CCC2)CC(C)(C)C1	2028898792	CLLMDFYAYHHHKK-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1CC[C@H]2C[C@H]2CC1	2028973794	XMCUQKUNMFBNTM-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)c1ccc(C2CCC2)cc1	2032426444	HGKINMLMTOEXRM-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
C[C@H](CNC1(C2CCCCC2)CCC1)C1CCC1	2033056161	AAPOCYQIEUILQC-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1	2036667967	UMMNRVUUOQCRFH-AIANPOQGSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)CC1CC2(CC2)C1	2036755410	LZPCFHHKIDTJHK-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc([C@H](N)C2(C)CCCCCC2)cc1	2037070398	OTNWACXHJYUBEP-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CCCCC[C@](C)(N)c1ccc(C2CCC2)cc1	2037089755	XYSYCXHWPQYXAZ-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
CC1(C)C[C@@H]1CCCC1(N)C[C@@H]2CCCC[C@H]2C1	2037175403	CWXGUKKVPMVGRU-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]([C@@H]2CCC(C)(C)C2)Nc2ccccc21	2037694717	OJHUQPVMQODXNB-IOASZLSFSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](CC(C)(CC)CC)c1ccccc1	2038130973	KRRGJQDPDQENCG-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@H]2CCC3(CC3)C2)CC1	2038572587	QYUOAKJSLPSSAD-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1CC(C)(CNC2(C3CCCCC3)CCC2)C1	2038887319	WPONMYUBIPWELX-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)c(NC[C@H]2CC23CCCCC3)c1	2039049701	BKTFSZUXTQWTSS-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1c(C)cccc1F	2039446226	FGQMYUYCQYXUOJ-GXTWGEPZSA-N	247.357	4.538	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2C=CCCCC2)CCCCC1	2039849046	IKLVNDXUTVJFHM-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CC[C@@H](CC[C@@H]2CCc3ccccc3N2)C1	2040119102	FILMPWSYLFTUDF-IJEWVQPXSA-N	243.394	4.630	0	10	BJAE	
CC1(C)CC(C[C@H]2CCC=CCCC2)=C[C@@H](O)C1	2045347034	YXLFGUKGYIKTDJ-GOEBONIOSA-N	248.410	4.620	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H]2CC23CCCCC3)C1	2045459414	CPPPVPKUNZFXTK-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](N2CCCC23CCCCCC3)C1	2046563580	ILFBRGBMJXZQFH-OAHLLOKOSA-N	249.442	4.754	0	10	BJAE	
C[C@H]1CCC[C@@H](N2CCC3(CCCCC3)CC2)C1	2046578827	INTBYVBFSYMJCM-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
N[C@H](C1CCCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047411501	BNWPBDIDVQNNTB-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCC1CC1)C[C@@H]1CCC12CCC2	2047931283	DPWXIFSHZJQNHL-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1[C@H]2CCCCC[C@H]21	2048383380	YKPKDIIVHJAWNZ-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1[C@H]2CCCC[C@H]21	2048386519	CDIFUNOVOWTHEZ-NXOAAHMSSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccccc1O[C@H]1[C@H]2CCCC[C@H]21	2049205865	YXSXMSRXKSNHPC-YWVIFJGQSA-N	244.378	4.552	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@H]2CCCC23CCC3)C1	2049533441	RCZWRZCXLJADOM-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@@H](N)C[C@@H]2[C@H]3CCCCC[C@H]32)CCCC1	2049796304	XQIUTUSGFOXOKI-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CCCc1cccc([C@@H](N)CC2(C)CCCC2)c1	2049804703	PSYLAGUPQIGFRG-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CN[C@H](CC1CCC(C)(C)CC1)[C@@]1(C)C=CCC1	2050007768	FVWUZZBHDIRRAF-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
C1CCCC(CCN[C@@H]2CCC[C@@H]3CC[C@@H]32)CC1	2052281220	ROFHWUJJWRBDOH-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](N[C@H](C)C1(C)CCC1)c1ccccc1	2052348277	JDTIKXILPOBQRC-GDBMZVCRSA-N	245.410	4.696	0	10	BJAE	
O[C@H](C=C1CCCCC1)[C@@]12CCCC[C@H]1CCC2	2056863735	UWPLGRBTKJUZCF-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H]1C[C@H]1C(C)(C)C	2056881149	CSAWNWISXOPDIN-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C2(C3CC3)CCCC2)C[C@H]1C	2057594052	DLXZAUOYSCPGQC-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
CC=CCCCNc1cccc(O[C@@H](C)CC)c1	2059221340	MCTSVMBKWYHKHA-AWEZNQCLSA-N	247.382	4.632	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@@H](CC)c1ccccc1	2059259243	NFKOSCOYVHDNLW-DLBZAZTESA-N	245.410	4.515	0	10	BJAE	
CC1(C)CC=C([C@H](N)C2CCCCCCC2)CC1	2061087881	IXTRCSSPCDZGMB-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)[C@@H]1CCCC1(C)C	2061095211	LPHHNFNKAUHQBW-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC1(c2ccc(CC3CC(=C4CC4)C3)cc2)CC1	2061726205	NKCVRKMONCDEKC-UHFFFAOYSA-N	238.374	4.781	0	10	BJAE	
N[C@@]1(C[C@@H]2C=CCCCC2)CCCCCC12CC2	2062010829	ZSIDQIGJJCDETI-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC(C)c1ccc(C(=O)CCC[C@@H]2C[C@H]2C)cc1	2062624922	MMFBWERAFSLKPQ-CZUORRHYSA-N	244.378	4.819	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063486743	LIWRUMOGFVVQTL-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
O[C@@H]1C[C@H](CCC2=CCCCC2)CC2(CCC2)C1	2063686836	INIRAJSHIWLMEP-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CC=C=CCCN[C@@H](CCCC)c1ccccc1	2067322697	MWWAEZCKUDSVPW-NFAGALLLSA-N	243.394	4.629	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H]2CCC2(C)C)c1C	2068290659	LEPMJEZEECHJRR-CQSZACIVSA-N	244.378	4.539	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068710022	GUUBQSSTQSVAGG-PXEOUSFJSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC1C[C@H]2CC[C@@H]2C1	2068772730	IZMSCDVMLHZKCY-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](O)CCC(C(C)C)C(C)C)cc1	2068822890	MXDPCQNNYRAUAD-KRWDZBQOSA-N	248.410	4.737	0	10	BJAE	
CC1(C)CCC(CC(=O)C2(CC3CC3)CC2)CC1	2069503965	SMWDBQOZGSXMKV-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@](C)(N)C[C@]23CCC[C@@H]2C3)CC1	2070925810	JPMUVFHQRFISNQ-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CC[C@@H]2C2CCC2)cc1	2071784939	DRPQKLXBWGIXFW-SJORKVTESA-N	243.394	4.801	0	10	BJAE	
Cc1ccccc1[C@@H](O)CC1(C(C)(C)C)CCC1	2071904543	QYBPWYBBUMMBFU-HNNXBMFYSA-N	246.394	4.635	0	10	BJAE	
CC(C)C1(CC(=O)C2[C@H]3CCCCC[C@H]23)CCC1	2071918034	AJNPJXIQNFDNGJ-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@H](C[C@]23CCCC[C@@H]2C3)NC)CCC1	2074018786	AYLJDKZHYJIIGX-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCC1(C=C2CCNC3(CCCCC3)C2)CCC1	2074134310	PSDXYTQJABISIE-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCCC1(C[C@H](O)c2ccc(C(C)C)cc2)CC1	2074618191	CRSRGJBKEOXBKC-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCC[C@H]1CCCN1Cc1ccc(C(C)C)cc1	2074990791	BDPQKDXQIQSISB-KRWDZBQOSA-N	245.410	4.575	0	10	BJAE	
C[C@H](N(C)C[C@@H]1CC=CCC1)C1(C)CCCCC1	2075167838	MEFVSPDHZINODP-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CC1(C)C[C@]1(C)CNc1ccccc1C1CCC1	2077265374	QWQZOWPYJGRSMI-QGZVFWFLSA-N	243.394	4.802	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H]1C[C@@H]1C1CCCCC1	2079434915	KFSZDZKXVQSZSH-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1ccc(C(C)(C)C)cc1	2079654962	FLXAYFGNANQODK-ZIAGYGMSSA-N	245.410	4.832	0	10	BJAE	
O=C(C[C@H]1C[C@H]1C1CCCCCC1)C1CC=CC1	2079860487	DMQPHNWPMDPUGL-CVEARBPZSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](CC)c1cccc([C@@H]2C[C@H]2C(C)C)c1	2082714716	GWQCJUPQGMSPNG-YESZJQIVSA-N	245.410	4.507	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)C2CCCCCC2)c1	2082941079	BZCJLPGCGSXUFC-KRWDZBQOSA-N	246.394	4.616	0	10	BJAE	
C1=C[C@H](CNc2ccccc2-c2ccccc2)CC1	2096806696	NSOSHHHUMZUUET-HNNXBMFYSA-N	249.357	4.732	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CCCCCCC2CC2)N1	2213576415	PLXWIJLDPCZBSA-HZPDHXFCSA-N	237.431	4.658	0	10	BJAE	
Cc1cc(N)cc(SCCCCCC2CC2)c1	2214555401	FYPGRUDJNQCKKS-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCCC[C@H](CCC[C@@H]1C[C@H]1CC)NCCC	2215253724	RSBQQOVLFZWRRG-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC[C@@H]2C[C@@H]2C)CC1	2215265863	MJFSLLHDGHZQSK-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1(C)CC2(CCC2)C1	2215382998	HLXVAFKFVSAHAX-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCCCC(F)F	2216432667	GBFOEYPDEDKRFM-CHWSQXEVSA-N	249.389	4.746	0	10	BJAE	
CCCC[C@@H](CC)CC1(CNC2CCC2)CC1	2217131895	URAXKGZREQLFQR-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(NCC2C[C@H]3CCC[C@H](C2)C3)c1	2218358057	UIRWUMZLBZAAMD-GJZGRUSLSA-N	243.394	4.623	0	10	BJAE	
CCC[C@@H](C)[C@@H](CC=Cc1ccccc1)NCC	2219088152	OBSIQTYZTQYNJE-NVXWUHKLSA-N	245.410	4.504	0	10	BJAE	
CC1(C[C@@H](N)CCC2CCCC2)CC2(CCC2)C1	2221022868	LIFZPVZYAAQQMU-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC1(C)CC(C)(C)C1)[C@@]1(C)C=CCCC1	2221028668	RTRYYXBGYJOOOG-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@@]1(C)CC=C(C)CC1	2221631401	NBIFHAAAWZMMPX-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1(CNC2CCC2)CC1)C1CCCCC1	2223544014	AWYBZIDADDTKTJ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1sccc1C1CC1	2244786615	VQVUEIPQVVVJMV-SNVBAGLBSA-N	236.380	4.635	0	10	BJAE	
CN[C@H](CCC[C@@H]1CCC[C@@H](C)C1)CC(C)C	2246657871	VYBGHFGRPPSQKA-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCC[C@H](N)C2)C1	2246731520	XZDCTYPTIBDCAS-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC)CC1CC2(CCCC2)C1	2246811440	APOKHQMLEMSGNX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCN(CCCC)CCCC[C@H]1C[C@@H]1C	2247160106	RKAJBUUWMIQRBA-HOTGVXAUSA-N	239.447	4.715	0	10	BJAE	
CC(C)CCCCC[C@@]1(CO)CCC12CCC2	2247353413	CHRDEJHWBNOXIY-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1CCCCC[C@H]1N	2248817444	VXWWSXRBSKPLIG-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)N(CC)CCCCC[C@@H]1C[C@@H]1C	2248840728	LVAMHPQRVCOSCZ-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCCC(C)(C)Nc1nc(C)cc2sccc12	2249498294	GKUPZZJWALEXOK-UHFFFAOYSA-N	248.395	4.595	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CC1)[C@H](CC)CCC	2250364122	DBRHLWHKMPVHLC-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC[C@@H]1CCC[C@H](C)C1	2250389714	LQUSECMYQPHIRN-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](O)C1CCCC1	2250467727	VGNPIICPPQSIFE-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC[C@](N)(CC[C@@H](C)CCCC(C)C)C(C)C	2250473950	FZEIWVJARGXHHM-HOTGVXAUSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(N)C=CCCC1	2250476113	NJKXJXCRHVBCGE-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@H](C)CC(C)C	2250493165	ZFPOKTDXMPYPSC-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@H](O)CC1CC(CC(C)(C)C)C1	2251585259	UUBSGVSIACJOBM-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H]1CC[C@H]1CC[C@@H]1CCCCC12CC2	2253786873	ZDLISIQZEOQWHA-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCC1)CC[C@@H]1CCCCC12CC2	2253793450	MZWMZGQJMHZJNV-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC(C)(CC[C@@H]1CCCCC12CC2)CNC1CC1	2253853012	KZERQNQLUZYPFI-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CNC2(CCCCC2)C1	2254503878	RLDFSLBBRTZFBG-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@H](N)C1CC2(CCCCC2)C1	2255027895	MTHKDPUCWLVXLL-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC[C@@H]2CCCC23CC3)CC1	2255256293	NYFWEIXQLDNBPT-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc(C(=O)CC[C@H]2C[C@H]2CC)cc1	2256239850	UOKQNZLQDIXAQC-ZBFHGGJFSA-N	244.378	4.648	0	10	BJAE	
CC(=CCCCC[C@H]1C[C@@H]1C)c1ccc(N)cc1	2257253988	FCTLUGAQNWHJFE-HOCLYGCPSA-N	243.394	4.889	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)[C@]23CCCC[C@H]2CC3)CC1	2260504198	DJMCCHVXLRYKID-WOYTXXSLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@]23CCC[C@@H]2CC3)CC1	2260513055	RRAIWIBWMZRMNJ-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
c1cc(N[C@@H]2C[C@@H]3C[C@@H]3C2)cc(C2CCCC2)c1	2260716249	MRTDGRZDJFPPCO-QLPKVWCKSA-N	241.378	4.555	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1CCNc2ccc(F)cc21	2261339482	QPXXXVXAEHDYGM-GFCCVEGCSA-N	249.373	4.797	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](NC[C@H]2C=CCCC2)C1	2261394841	JDHYEAQFQOJQOV-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1O[C@@H](C)CC1CCC1	2298878023	HYBTUZXZXXJRQZ-ZDUSSCGKSA-N	232.367	4.597	0	10	BJAE	
CCC(C)=CC[C@H](O)c1cc2ccccc2s1	2300869056	FIWWOBLLAWTHQT-ZDUSSCGKSA-N	246.375	4.681	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)CC=C(C)CCCC(C)C	2300875259	SRCWCCLYFDJWFP-ZBFHGGJFSA-N	239.447	4.913	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H](O)CCC1CCCCC1	2301832958	OKFORLFRCPWMLK-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@@H](C)[C@@H](C)C(C)C)CC1	2301834985	BXNHHOUULSDSRK-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@H](C)[C@H](C)C(C)C	2301962000	PMQKNSISJLOWPB-CABCVRRESA-N	239.447	4.639	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCCC[C@H]2C[C@@H]21	2302922883	XOKJFJIPZDXRQX-FPMFFAJLSA-N	249.785	4.639	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2CCC2(C)C)CC1	2303584689	RLZDKHGYHIJIBB-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@]2(C)CC2(C)C)CC1	2303586029	ZAIMQMMZVPATMN-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)[C@H](C[C@H]1CCC(C)=C(C)C1)NC	2303594077	BYZJZJYNDQZKLI-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC[C@H]2CCC(C)(C)C2)C1	2304435414	OGDQVNJJNYQKBM-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)CC1(CNCC(C)C)CCC1	2307762518	CAAUFMPPWYHALU-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1CC2(CCCC2)C1	2307894872	SPMUKNGJFKVVSE-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2C[C@@H]3CCC[C@@H]32)cc1	2308105991	KBRSEHACAGGWLO-QCPWZWHMSA-N	243.394	4.801	0	10	BJAE	
CC(C)[C@@]12CC[C@](N)(CCC3CCCCC3)[C@@H]1C2	2310124634	CBLRPRUDBUHGAH-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CC[C@@]23CCC[C@@H]2C3)C1	2310380027	MRDDGVKZYCPGCV-DNNBLBMLSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)[C@@H]2C[C@H]2C2CCCCCC2)C1	2311526828	SBJGFIWIOBOQNQ-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](N)c1ccc([C@@H](C)CC)cc1	2311535555	GKGDTSTYEOUNTI-DXEWXGHRSA-N	245.410	4.636	0	10	BJAE	
CC1CCC(C(=O)C(CC2CC2)CC2CC2)CC1	2313600298	PKHUJBRMVFHRAM-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](NC)c1ccc(C)c(CC)c1	2314698303	XNYFMCAXFOVHQM-MRXNPFEDSA-N	247.426	4.644	0	10	BJAE	
CC(C)CCC[C@@](C)(O)c1ccccc1C1CC1	2315915067	GFVCQBHMHOZHIK-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCc1cc([C@@](C)(N)CCCC(C)C)ccc1C	2315952734	SPVPOMNOJYAWPA-KRWDZBQOSA-N	247.426	4.558	0	10	BJAE	
CCCc1ccccc1[C@H](O)CCC(CC)CC	2316252997	VQXXYAUGCGSWBC-QGZVFWFLSA-N	248.410	4.889	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1[C@H](N)CCC1=CCCCC1	2320216478	AEEIKSKUBKJBLZ-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCCC[C@H]2CC)c1	2321083750	BVPULTGYIIBKMF-CZUORRHYSA-N	249.373	4.769	0	10	BJAE	
Cc1cccc(N(C)CC[C@H]2CCC(C)(C)C2)c1	2321588872	WONSIXLHPKZQST-OAHLLOKOSA-N	245.410	4.648	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)c1c(C)cccc1C	2328273598	OCWMNJSGCDONQF-CVEARBPZSA-N	247.426	4.780	0	10	BJAE	
Cc1ccc(C)c(-c2cc3cc(F)ccc3[nH]2)c1	1518227	CGXZQOFFCLTGRB-UHFFFAOYSA-N	239.293	4.591	0	10	BJAE	
CCCN[C@@H](c1sccc1C)C(CC)CC	42730203	GBKCMQJJMIJKBA-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1cc(C)ccc1F	70977744	ODKCTKADTNKQRV-JSGCOSHPSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCCCC1=O	71083855	PBZOXUXDIHOCGH-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](C)C(F)(F)F)cc1	75840437	FSGLWHYAVXBHIG-UWVGGRQHSA-N	230.273	4.866	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)c1ccc(C)s1	82631257	SGAWATVMUONXHV-NWDGAFQWSA-N	239.428	4.532	0	10	BJAE	
C[C@H]1CC[C@H](C)[C@H](Nc2ccc(Cl)cc2)C1	82857317	TWTLMHFWFFFFCR-COPLHBTASA-N	237.774	4.577	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H](C)CC)CC1	83780197	RQFZJYNZMSFYHU-IYXRBSQSSA-N	224.388	4.598	0	10	BJAE	
CC1(C(=O)c2csc3ccccc23)CCCC1	94899121	GHNJYMXQAWCBMU-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CC[C@@H](C)c1ccc2c(c1)C[C@@H](C(C)(C)C)CN2	103926948	YEBFYNYLVYFDAK-IUODEOHRSA-N	245.410	4.830	0	10	BJAE	
C[C@H](N[C@@H](C)C1CCCCC1)C1CCCCC1	109950608	MOXZXKYKIRWACN-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)CNCCC1CCCCC1	110164201	WYWCVTBXAQPGPN-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCCc1ccc2nc(Cl)c(CCC)cc2c1	110311870	JLOWHQFFKGPJLM-UHFFFAOYSA-N	247.769	4.793	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cc(C)cc(Cl)c1	124242341	ORSFLOPQXOVXGY-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
CC(C)c1csc([C@H]2CCC[C@@H](C)C2)n1	131968291	JJAWJFCONAVIAD-MNOVXSKESA-N	223.385	4.560	0	10	BJAE	
CCc1ccc(N[C@H]2CCC(C)(C)C[C@@H]2C)cc1	155827430	CQUMRTGLFRBKMH-BBRMVZONSA-N	245.410	4.876	0	10	BJAE	
CC(C)(C)NC[C@H](C1CCCCC1)C(C)(C)C	162397601	FHELABNUPYUDFB-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1CC(=O)C[C@H](C)CC(C)(C)C	164092252	NOBYOZCCBDDFPG-ZDUSSCGKSA-N	246.394	4.569	0	10	BJAE	
CCCC[C@H](NCC)c1cccc(CC(C)C)c1	165939823	NAROMFJMGXYCMM-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
C[C@@H](CC(=O)c1ccccc1Cl)C(C)(C)C	167812386	XOQOHEOLQAITEA-JTQLQIEISA-N	238.758	4.595	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CCCC2(C)C)cc1	226529482	NSQRBNYZASXIAC-OAHLLOKOSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H]1CC[C@@H](CC)C1	227470745	JZLOAOHNLKJAEW-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
CC(C)=CCN[C@H]1CCC[C@H](C(C)(C)C)CC1	228873326	WSAGRHMTXMGVKY-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCC)c1ccccc1C	229433674	LTSQBYJCCOIQPD-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CCC[C@@H](NCC1(C(C)C)CC1)c1ccccc1	233295697	UACQKXUHZGVMPZ-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CC(C)=C[C@@H](C)C1	233904985	TXMXJPUVZKQCOO-XBVQOTNRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CC[C@H](C)[C@@H](C)C1	250353975	DMAMDLOEJLRFLJ-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CCC1CCCCC1	302269314	QUCBOFMJODZUEB-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)C1=CCCCCC1	302318437	GSHFGBVUWNDCKB-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
Cc1cccc2c1ccn2[C@H](C)CC(C)C	304568042	WRMSYTKYVZZLIX-CYBMUJFWSA-N	215.340	4.557	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CCC[C@H]3C[C@H]32)cc1	306118484	XRWRMUFDMCZFCB-MAZHCROVSA-N	243.394	4.585	0	10	BJAE	
Fc1ccc(C(F)F)c2c(Cl)csc12	307315023	WOQPLSZMESYCPA-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCc1cc2scc(CC)c2cc1Cl	307648362	GIXNAGMCIBYXJY-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@@H]2CCC[C@@H](C)C2)C1	310111756	FTJXOTBWGCZJKV-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1csc(C(C2CCC2)C2CCC2)n1	310220611	GYDSSBLYWKTDPY-UHFFFAOYSA-N	249.423	4.950	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C1(CC)CC1	310343153	DNWVEHSUCABQEB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(NC[C@@H](C)C2CCCCC2)c1C	311240576	YXBISONMMAWXAE-CQSZACIVSA-N	245.410	4.932	0	10	BJAE	
CCC[C@@H](NCCC1CCCC1)C1CCCC1	313426932	ZLOWTQHOJRBNDE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)N[C@@H](CCC)C1CCCC1	313461787	HYIQDEAELRQVQE-GJZGRUSLSA-N	225.420	4.514	0	10	BJAE	
CC(C)(C)CCCNCC/C=C/c1ccccc1	313485429	OKQXJMVZUZRDFY-KPKJPENVSA-N	245.410	4.506	0	10	BJAE	
CCNC[C@@]1(CCC(C)C)CCC[C@@H](CC)C1	317358717	ZHUDLEBLIICHPO-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC(C)NCC1(C2CCC2)CCCCCCC1	318001316	YEOPYDQDLWFGSS-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](NCC1=CCCCC1)c1ccc(C)cc1	379578739	FSARIRLKZAIMQM-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CC1(C)CCC(CC(=O)C2[C@@H]3CCCC[C@@H]23)CC1	380924072	DXAYKDLUNBXWLI-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1[C@H](N)C[C@H](C)C1CCCCC1	381010822	LTJPXDGWQBWWCI-WMLDXEAASA-N	245.410	4.601	0	10	BJAE	
CC1(C)CCC(CSc2ccccc2N)CC1	383526972	PVZFWIXTWYCKKU-UHFFFAOYSA-N	249.423	4.577	0	10	BJAE	
CCCNCCC(C)(C)C[C@H](C)c1ccccc1	384691663	CQUKXNFCJBGFRE-HNNXBMFYSA-N	247.426	4.596	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CCC2=CCCCC2)C1	384862038	OOGQKHPZOBSZKJ-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](N[C@@H]1CC12CCCCC2)c1cccs1	387114028	JBHWGIAMHFEJHY-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
Cc1cscc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	387245352	XZBQNBBFNLMBJH-BFHYXJOUSA-N	249.423	4.827	0	10	BJAE	
CC[C@H](NC[C@H]1CCCC1(C)C)c1ccccc1	388848201	IIPIQRLRFQQANQ-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
CCCNC[C@H](CC(C)C)CC1(C)CCCC1	393826283	DRYKHXUYJJFGIA-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)CCN[C@@H](C)c1ccc(C(C)C)cc1	394393405	YWJZTVHIVNDAHY-CABCVRRESA-N	247.426	4.897	0	10	BJAE	
Cc1cccc(OC[C@@H]2CCC[C@@H](C)C2)c1C	394458168	LGRFIEUUAFWIEY-IUODEOHRSA-N	232.367	4.509	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CCC[C@@H](CC)C1	394555139	HLRNEBOEUWOMIK-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)NCC1(C)CCCCCC1	394647191	XKEIKPAUTYOHOQ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@H](C)/C(C)=C\C(CC)(CC)CC	395131529	RVQYLEMKTZZORA-WUFNSSIPSA-N	225.420	4.537	0	10	BJAE	
CCc1ccc2sc(F)c(C(F)F)c2c1	396199748	PGLVOBOBZQNVAC-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)cc1F)[C@@H]1CC1(C)C	397792086	QGQJBIRMWJOIHA-GXTWGEPZSA-N	249.373	4.761	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)C(CC)CC	688938081	ILLWUEKOGHDMES-QGZVFWFLSA-N	247.426	4.897	0	10	BJAE	
C1=C[C@@H](Nc2ccc(C3CC3)cc2)CCCCC1	690093661	KGEQXZTZRUGYCB-MRXNPFEDSA-N	241.378	4.865	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1N[C@@H](C)c1ccco1	691098084	HXHJYFQREUYQJA-ZNMIVQPWSA-N	249.398	4.535	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCCCC[C@H]1CC	691106734	WHHVMFCMPROCQB-JONQDZQNSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C)c1ccsc1CNC(C)C	693079032	FZSXHIYPCJMTNE-LBPRGKRZSA-N	239.428	4.540	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@@H]1CCCC2(CC2)C1	696016208	FAPVHRFUPKTCQO-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1coc2ccccc12	696598804	NZNJWWMJNOZWOE-CQSZACIVSA-N	246.350	4.683	0	10	BJAE	
CCCC[C@@](CC)(CN)CCC(C)(C)CC	696808522	XYYJKLYDSPBZAX-OAHLLOKOSA-N	227.436	4.748	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC=C(C)C)C1	697863514	CCWSXBPHIZFDRG-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCCCCc1ccc(NC[C@H]2CC2(C)C)cc1	700636125	ZUUQJYOEMDXQTM-OAHLLOKOSA-N	245.410	4.877	0	10	BJAE	
CCC1CCC(CNCCCCC(C)C)CC1	703954734	NAMZERXSNPHLPP-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)C[C@]1(N)CCCCC[C@H]1C(C)C	704461834	UTFLVBGYWLXYLF-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCC[C@@H](O)C1(CC(C)C)CCCC1	704812761	WLKNSHYXNTUPJR-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](O)C1(C)CCCCCC1	704859876	ODFPEKYGNWFLQM-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC[C@H](NCC[C@@H]1CC=CCC1)c1cccs1	706943933	DHXUCOSFFKTAPP-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CN[C@@H](CCC[C@H](C)CC(C)(C)C)C(C)(C)C	709189516	PIHNTMRNRYKCOT-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cccc(C(C)(C)C)c1	709456333	ADYCZOAJWGCZLA-CYBMUJFWSA-N	246.394	4.993	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CCC3(CC2)CC3)CC1	709989287	KMYPVDNWXLTETB-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCC(CCC)N[C@@H](C)CC1CCCC1	712516370	WTDYAMDTEVAPOY-ZDUSSCGKSA-N	225.420	4.514	0	10	BJAE	
C=C/C=C\CCC[C@H]1CC2CCC1CC2	713676274	YIUREMUUMWUIEE-PFKRTQHPSA-N	204.357	4.725	0	10	BJAE	
O=C(CC[C@H]1C[C@@H]1C1CC1)C1CCCCCCC1	714801941	DWACDXUTGKEXRZ-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC(C)=C(C)C)NC	718573333	PCFHQCMYMWEMCQ-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1CCCCCC1(C)C	719286879	MVEZZJDUQIUQPP-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	722862842	ZJZXHQHWIVRGML-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
C1CCC(CSC[C@@H]2CC3CCC2CC3)C1	1641475508	VOERNVLFVDNLNB-ZALBZXLWSA-N	238.440	4.736	0	10	BJAE	
CC(C)C(NCCC1CCCCCC1)C(C)C	1645043950	FLKOFSYMXCWDMT-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccsc1Cl	1889714313	KUQKYYWGTDCKEB-QMMMGPOBSA-N	231.792	4.638	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H](CC)CC(C)C	1900700448	IXXJINIFHRMCIT-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CCCCCC[C@](C)(N)CCC(CC)CC	1900708751	CHOLTYXJWTXRGU-HNNXBMFYSA-N	227.436	4.891	0	10	BJAE	
CCCCN(C[C@@H](CC)CCC)[C@H](C)CC	1905300303	IAXNCVBHBDMVIG-CABCVRRESA-N	227.436	4.713	0	10	BJAE	
CCN[C@H](CCC=Cc1ccccc1)[C@@H](C)CC	1911960621	HMJQJAGFFMYFLF-DOTOQJQBSA-N	245.410	4.504	0	10	BJAE	
CC=C[C@H](NCCC)c1ccc(C(C)(C)C)cc1	1912023168	HULMDTPMFLIBME-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC(C)NC[C@@]1(C2CCCCCC2)C=CCCC1	1916602161	IHGMZMZXHXCCHR-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@](C)(N)c1cccc(C2CC2)c1	1920186298	GMRZOUJUSFGNRY-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
CC(C)=CCC[C@@H](O)[C@H](c1ccccc1)C(C)C	1921292103	LFEBVRIIBXIPON-SJORKVTESA-N	246.394	4.534	0	10	BJAE	
CNC[C@]1(CCCC2(C)CC2)CCCC12CCC2	1921610040	KRGUJSTWRXVKLD-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(CNC)C1CCCCC1	1924104072	DYMHCRVXJYDOEM-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@H](C)C2CCCC2)cc1	1924128022	XYCRUSJLDGVFAH-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CC=CCC1)C1CCCCC1	1924136267	RCZVHFSPMHTUDS-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)C[C@H](O)Cc1ccccc1C(C)C	1926387188	SRZVUKFROWUIIW-INIZCTEOSA-N	248.410	4.540	0	10	BJAE	
CC(=C(F)F)c1cc(F)c(Cl)cc1Cl	1927563950	CIUXSMBTJOIGAE-UHFFFAOYSA-N	241.039	4.760	0	10	BJAE	
CCCN[C@H](CC)CCC1(C)CCCCC1	1935626411	XWYUFPVMOBIUHB-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
Clc1ccccc1OCCCCCC1CC1	1936430042	YPXTWTAPLCECQB-UHFFFAOYSA-N	238.758	4.689	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2(C)CCCCC2)C1	1940406115	KMCHSPVTUOFYQT-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](C=C(C)C1CCC(N)CC1)CC	1940964692	CKLYDNXHRFHVEP-FHERZECASA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@@H](CCC)C(C)C	1941262727	ILCITUUKYJKAGV-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)NC[C@]12CCCC[C@@H]1CCC2	1944195465	RKQAQWHABCGYCU-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC1C[C@@H](C)C[C@H](C)C1	1944199823	QENXSDMBTVZRPM-RZLSGREXSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)C(C)(C)C1CCCC1	1944621616	FTVDMULISNVHHI-HIFRSBDPSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C[C@H]1CCC[C@@H](C)C1	1948325334	GIPSYZYMXZLBHA-FXUDXRNXSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CC(F)F)C[C@@](C)(N)CCC(C)(C)C	1949019555	XTLCZYVSOCCPOK-RISCZKNCSA-N	249.389	4.602	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](O)CC2CCCCCC2)C1	1949421120	KOXACDUBVDLNQZ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
Cc1cc([C@H](N)CCCC(C)C)sc1Cl	1960260109	BONLRUCBJKUIBA-SNVBAGLBSA-N	245.819	4.536	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](CC)Cc1ccccc1	1963228588	JGOMGHDMBODCAP-IRXDYDNUSA-N	247.426	4.566	0	10	BJAE	
CC[C@@H](NC[C@H]1CCCCC12CCC2)C1CCC1	1967865392	RTOCKDWSGPNSFR-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)C1	1967876864	ONSFACOXTBOMCC-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCC(C)(C)C2)c(C)c1	1968254230	DAACLRDYDOKMEM-CQSZACIVSA-N	231.383	4.542	0	10	BJAE	
CCC[C@H](C)CN(Cc1ccccc1)[C@@H](C)CC	1968431712	FFCVXKKZLWKIRA-HOTGVXAUSA-N	247.426	4.723	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1[C@H]2CCC[C@H]12	1968602660	NZFFKNQZCDPQKP-GJZGRUSLSA-N	243.394	4.576	0	10	BJAE	
CCCc1ccccc1OCC1CC2(CCC2)C1	1968624037	HMOPADUZTRMJIT-UHFFFAOYSA-N	244.378	4.598	0	10	BJAE	
CCC1CCC(CN2CCC23CCCCC3)CC1	1969770266	YDNFRLDDIMZKLQ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](NCc1ccccc1C(C)(C)C)C(C)(C)C	1969945526	ZTODQBRCHNUXEH-CYBMUJFWSA-N	247.426	4.508	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H]2CCC[C@H]2C1)C1CCCC1	1970682005	YUPIPUJOWIHCLZ-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](NCC(C)(C)CCC)[C@H]1CC1(C)C	1973163483	FIYNDILPRNXYAL-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)c1nc(C(C)(C)CC)cs1	1976009455	YJFHRUKZZNFFNI-UHFFFAOYSA-N	239.428	4.908	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1CCC[C@H](CC)CC1	1976340600	COQDAVCSMHTUIB-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H](C)C1CCC1	1990094031	RAMQNICEFUCTDL-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC(CC)CC	1990122936	DPEJEWPSGANBQM-HNNXBMFYSA-N	227.436	4.713	0	10	BJAE	
CCc1cccc(CC)c1N[C@H](C)CC(C)C	1995657708	ZJTZYELIDMFXAJ-CYBMUJFWSA-N	233.399	4.658	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@H]1CCCCC[C@H]1C	1995757913	NYIWHOQVTLJUQZ-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC1(N[C@H]2C=CCCCCC2)CCCCCC1	1995827473	VBXSGWOIBZMZCJ-HNNXBMFYSA-N	235.415	4.578	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](C)(N)C1(C)CCCCC1	1995987645	KOWDDANGONTMPT-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@H]1CC[C@@H](C)C1	1996272619	VXSDQPJCAVNWIH-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@@H]1CC[C@H](C)C1)C(C)(C)C	1996273018	XMJWIKWDZMVFDQ-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
CC1CCC([C@H](C)N[C@H](C)CC(C)(C)C)CC1	1996548667	SDQSTUANAVJUDX-FUUBYGMNSA-N	239.447	4.616	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H](C)C1CCC(C)CC1	1996553204	GATLEROJCHYJQK-PWUWZPNHSA-N	239.447	4.616	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H]1CCC[C@@H](C)C1)NC	1996612705	ZVDPTTFRVIMWKI-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCC=C(C)C)CC1	1997114103	CZXYMKQCGQCXFP-GJZGRUSLSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1CCCC(C)(C)C1	2000103956	BJEXJVLPBINKCC-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)[C@@H]1CCCC(C)(C)C1	2000149818	MCERJDILLRDNMU-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@H](C)CC(C)C	2000381428	FCYHYFRNKNZKRT-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CCC)CC1CC(C)(C)C1	2000516592	XXNFFRFFRMHBDU-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC(=O)[C@@]1(C)CCCCC1(F)F	2002581068	FGFAZZDWRVJHOV-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@H]2CCC[C@@H](C)C2)c1	2002998345	KNFNZSHWXAPQIX-YUELXQCFSA-N	231.383	4.622	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(N)[C@@H]1CCC[C@H](C)C1	2003012474	AFLGNHPXEZGPGA-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2003018911	PHXSZUDFLZAUMT-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
CC1(CCC[C@@H]2CCCCCCC[C@H]2O)CC1	2003116380	IIOAIRZWWMSMHR-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@H]1CCCC2(CC2)C1	2003212552	XTPRMEAHVZLVDG-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CNC1(C2CCC2)CCC1	2004715955	AKRIQLGHTLQIHE-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(C(=O)CC2CC=CC2)CCCCCCC1	2004942914	YMAJAORHAGHFDM-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC)C[C@H](CC=C(C)C)C1	2006630992	YPAKSNNPGKPOIC-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CCC[C@@H]3C)c12	2006720446	BMFCRLQHSMETNQ-SWLSCSKDSA-N	227.351	4.565	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C1(C)CCC(C)(C)CC1	2007696727	MVIVNNNCKMJIJG-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](NCC)C1(C)CCC(C)(C)CC1	2007697822	QLQGIKNHTCZULH-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC=CCCCNc1cccc(C2(C)CC2)c1	2009593632	OCCZFJGUFINBIN-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
C/C=C/CCCc1ccc2ccccc2c1F	2009594342	TYFLSLBKMYCZJI-NSCUHMNNSA-N	228.310	4.878	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCC2(C)CC2)CC1	2009611654	ZNXPRXKUVKRLRH-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@@H]1CCC(C)(C)CC[C@@H]1NC	2009630796	XXQGAWVEQAROAK-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(NCC[C@@]23CCC[C@H]2C3)c(Cl)c1	2010994720	IRGYUIHVCAEYBP-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CCN[C@@H]1C[C@H](C(C)(CC)CC)CC(C)(C)C1	2012052935	BKLUDJVPKGLPBY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](C[C@H](C)CC(C)(C)C)(C(=O)O)C(C)C	2012438983	BURVGELZBJYVHX-DOMZBBRYSA-N	242.403	4.586	0	10	BJAE	
CCCC1CC(CN[C@@H](CC)CCC(C)C)C1	2013267115	NUWXROIZBSWRQE-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@H](N)C[C@H](C)C(C)C)CC1	2015271916	OOUXEIMWNXFOQM-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C(=O)CCC(C(C)C)C(C)C)C(C)C	2015390721	PHJJNPMSYQBCIE-AWEZNQCLSA-N	240.431	4.946	0	10	BJAE	
CCCC1(CC(=O)C(C(C)C)C(C)C)CCC1	2015598515	VZCBYLDGFPGGTD-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(=O)C1(C)CCCCCCC1	2016418192	LXWRUYCJQPZHEG-XJKSGUPXSA-N	236.399	4.742	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC1(C(C)(C)C)CCC1	2017143036	ZUOLTFUBMDTTRR-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@](C)(O)CC1CCC(CC)CC1	2017648877	QINUYDKNAVDCDD-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
CC=CCCC[C@H](N)[C@H]1CC[C@H](CCC)CC1	2017658286	LGPLGBDQMRDHTF-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H]2CC2(C)C)CC1	2017767146	MVGGCZIDTHNXBN-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1C(=O)CC[C@H]1C[C@H]1CC[C@H](CC)CC1	2017776601	QZTPMNDGUCQMBN-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)NC[C@]1(C)C=CCCC1	2018130306	NULZEVPWHYGLAS-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)C2(C)CCCC2)C1	2024102560	UJOLQLJARDDCGZ-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C1[C@@H]2CCCC[C@@H]12	2026083328	ZRFKHMLYIQJXAY-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1cccc(C)c1	2026140783	DGVDZQZVBQWTHV-CZUORRHYSA-N	234.383	4.635	0	10	BJAE	
CC1(CCCNc2ccc3c(c2)CCCC3)CC1	2027823984	YSALVFGSELUUNS-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CCC[C@@H](C)[C@H]1Nc2cc(C(C)(C)C)ccc2O1	2027859600	GULBSLGNLPWEOI-ABAIWWIYSA-N	247.382	4.551	0	10	BJAE	
CN[C@@H](c1cccc(C)c1)[C@H](CC(C)C)C(C)C	2028254562	IAUVPKPUDCSBSZ-SJORKVTESA-N	247.426	4.574	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](CC2CCC=CCC2)C1	2028869688	KDQIFAVMANBFTE-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)CC1CCC=CCC1	2028870888	VHXZOXRKLNOHLL-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](N[C@H]1CC(C)(C)CC2(CC2)C1)C1CC1	2030281287	LKVMTHXDBAPJLX-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(CC2(N)CC(C3CCCCC3)C2)C1	2033785002	VMMQYQWWXBNBOA-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc(C)c(CC)c1	2035427227	WJDWZBNHPFRQTN-WBVHZDCISA-N	245.410	4.938	0	10	BJAE	
CN(CC1(C)CCCC1)[C@@H]1CCC2(CCCC2)C1	2036771737	RBFHMIOEPOFHLQ-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCC1(N[C@@H]2CCC3(CCCC3)C2)CCCC1	2036772474	ZHLPCTRSOHVBRZ-OAHLLOKOSA-N	249.442	4.802	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)c1ccccc1	2038129449	WUTIPJWQBXGROF-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CC2(C1)CC(C)(C)C2	2039417582	INRCKBAOHMGOQT-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@H]1C=CCCC1	2043186862	HQFSDNWULNLTPP-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CCC2)C1CC(C)(C)C1	2043540911	OVZVWXALDKEFIQ-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C([C@H](N)C[C@@H]2CCC=CCCC2)C1(C)C	2045317015	IPGMIDHRVBHXFS-ZIAGYGMSSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C[C@@H]2CCC=CCCC2)C1	2045318903	ZLTBTICTNVCMFK-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2CCc3cc(N)ccc32)C1	2045511495	JHSYDWMOGUUYGM-CZUORRHYSA-N	243.394	4.515	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CCC[C@H]2C)cc1C	2045560311	MEZTWVWPLWYAJV-IAQYHMDHSA-N	244.378	4.621	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@H]2CCCCCC[C@H]21)C1CC1	2047437005	ILZCWJHMOJDSIA-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(=C[C@]1(C)CC=CCC1)CNC(C)(C)C	2047680713	GCGUKGSEIPPWFB-QGZVFWFLSA-N	249.442	4.703	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@H]1CCC12CCC2	2047938738	IHFICGPWTRDDHK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CC[C@]1(CNC2CC2)CCCC(C)(C)C1	2049501818	RFGJEQLPZWHCPP-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@@H]2CC23CCCCC3)C1	2049544705	VPDMODFBHCEWAY-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CN(C1CCCCCCCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1	2049782334	HKXUJWHKFBHUQD-BFYDXBDKSA-N	249.442	4.610	0	10	BJAE	
N[C@H](CC[C@@H]1CCC2(CC2)C1)CC1CCCCC1	2049844417	AKQHEMZXHOSMSZ-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC3(CC3)C2)C1	2049962596	JACKVSVWQJJDKU-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CCC(N)(C2[C@@H]3CCCCC[C@@H]23)CC1	2051602691	RLQMUXFRLMFAPS-QBBMROGASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)[C@H]1CCCCC12CCC2	2053430500	QHPWVJCRERRLPV-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H](N[C@@H]1C=CCCC1(C)C)C1CCCC1	2055540776	IARXQBPQVRIDGB-JKSUJKDBSA-N	249.442	4.680	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCCC[C@@H]2C(C)(C)C)CCC1	2055551037	WAUZUCQXWZSYQS-OWCLPIDISA-N	249.442	4.680	0	10	BJAE	
FCc1ccc(NC2C[C@H]3CCC[C@H](C2)C3)cc1	2055668330	CFTWHKBGCFHDFH-KBPBESRZSA-N	247.357	4.537	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H]1CCC[C@@H](C(C)C)CC1	2055671464	INZDXUOKUBPFDG-IKGGRYGDSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)CC1CCCC1	2056883976	ULEBSYGBUZIEJM-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCCC1CCC1)C1(C2CC2)CCCC1	2057608657	IMBNYCOBMNRZCC-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@]2(CCN2CCCCCC2CC2)C1	2058197898	DTSQAKFXFCJAFW-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@]1(CC2[C@@H]3CCCCC[C@@H]23)CCCN1	2059466999	NDUOUPBSPPOGOI-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@H](N)C2=CC[C@H](C(C)(C)C)CC2)C1	2061093489	YBLBVDHOTNMSFF-OEAJRASXSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC=C(C2(N)CC(C)(C)C(C)(C)C2)CC1	2061112392	FSVPNFBGRNSVNU-ZDUSSCGKSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2CC(=C3CCC3)C2)C1	2061696383	OXBMSDIXKZKWSV-WBMJQRKESA-N	246.394	4.662	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCC1	2063420559	SRLWDXQDICMAFH-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(NCC2C[C@@H]3CCC[C@H]3C2)c(C)c1	2063470363	AXESFLACQCDRPQ-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
CCC1(C)CC(C(=O)C2CC3(C2)CC(C)(C)C3)C1	2063803976	MVYPBEFWHMLKMY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@](CN)(CC12CCC(CC1)C2)C1CCCCC1	2065335195	MKFDUAMEVXHGMA-WIHSUSGWSA-N	249.442	4.502	0	10	BJAE	
CC[C@](O)(CCC(C)C)c1cccc(C(C)C)c1	2065989140	ACRAZEZTBIYMER-KRWDZBQOSA-N	248.410	4.844	0	10	BJAE	
CCC[C@H](C)CN[C@@H](C)c1cc(C)c(C)cc1C	2066312379	HXEVWMJHQSLAPS-LRDDRELGSA-N	247.426	4.699	0	10	BJAE	
CNC[C@@]1(C[C@H]2CCC=CCCC2)CCC1(C)C	2068230865	SXKIRIDIRJWZFA-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H]1CNc1ccc2ccccc2c1	2068346985	XABNSCMOYNSQDR-HNNXBMFYSA-N	239.362	4.688	0	10	BJAE	
CCN[C@@H](CCC[C@@H](C)C(C)C)c1ccccc1	2069009244	IZEPQOMZZHCUIV-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CCCC1(C[C@@H](O)c2ccc(C)c(C)c2)CCC1	2069339854	OEALOLFFGVMVDR-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@H]1CCCC2(CC2)C1	2070304399	NPMAAIXAJOPUSO-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
C1CCCC([C@H]2CCCN2CCC2CCC2)CC1	2071969487	SMGQMBCYHKUKCQ-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@@]2(C)C=CCCC2)CC1	2072805326	BCNINGGAGFERHV-BACDZXNISA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CCC[C@H](N(C)C2CCC3(CC2)CC3)C1	2074893505	UZTMHWPZUIGMKW-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
CC(C)(C)C[C@@H]1CCN1[C@@H]1CCC12CCCCC2	2075016834	QDHDDKIHQGVALP-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CC(C)[C@H]1CC[C@H](C)N(CCC2=CCCCC2)C1	2075145064	BWKSCLGCMVJUEY-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
CCN(CC12CCC(CC1)C2)C1CCCCCC1	2076545496	LQZVWVYFWDHWQH-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCN(C[C@@H]1CCC2(CC2)C1)C1CCCCCC1	2076553963	DZPAJSGQALPRGS-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCCCC[C@]1(N)CC2C[C@H]3CC1C[C@@H](C2)C3	2076796826	KDWWFBHOFYVXLA-RRLIJXGGSA-N	249.442	4.501	0	10	BJAE	
C[C@]1(F)C[C@H](CNc2cccc(C3CCC3)c2)C1	2077723920	OVLZDRKISNITGD-YGUOUDRMSA-N	247.357	4.504	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@@H]1C[C@H]1C1CCCCC1	2079477244	SWHIKHAQDNDTTF-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1ccc(C2CCC2)cc1	2079643219	WOLLZCQMHRGXPL-HZPDHXFCSA-N	243.394	4.802	0	10	BJAE	
O=C(CC[C@H]1C[C@@H]1C1CCCCC1)C1CCCC1	2079859438	BLINMLVUJCCOCH-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H]2CCCC(C)(C)C2)o1	2082981768	GIMJIPLHFHACIF-LBPRGKRZSA-N	248.366	4.631	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@H]1C[C@H]1C=CCCC1	2083016141	APBSKMSLBUZEFY-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC23CCC(CC2)CC3)C1	2083017336	KHDOCVFBXUMILX-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2CC23CCCCC3)C1	2083039986	AXXQPOZWDFLGRU-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@H]2CCCC3(CC3)C2)C1	2085000007	YWWAQPWZLHQVKG-GYTBAZASSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1sc(C)c(C)c1C	2211699101	GMNNDAARLRCRSP-TVQRCGJNSA-N	240.412	4.533	0	10	BJAE	
C=C=CCCC[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F	2213304310	VRXYNVSNBMFWEI-ZSOGYDGISA-N	240.337	4.959	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CCCCC2CC2)C1	2214584463	RCUFWFAQGWITTJ-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@H](O)CC2(C)CCCC2)C1	2215383759	CGWPGOHJWWVCSP-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CCCCC(F)F	2216503756	SWDOOWCVPLESNE-ZDUSSCGKSA-N	249.389	4.568	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CC)CCCCC(F)F	2217155166	ZZXTVOPFPDDCHD-TZMCWYRMSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1CC[C@H](CC2C[C@H]3CCC[C@H](C2)C3)CC1=O	2218374169	NHEUBWVQNRLYMM-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)C[C@@H]1C[C@H]1C1CC1	2218733932	YZUURFQFJBMSPE-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CCCNCCC(C)(C)CC=Cc1ccccc1	2219090170	JNWKNIMJQAKYOA-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CCCC1(C[C@@H](N)C2(C)CC3(CCC3)C2)CCC1	2221006600	MIXVEELQOYOPNW-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)C[C@@]1(C)CC=CCC1	2221602550	QZXPFSIAKFALJN-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CC(C)=C[C@](C)(N)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222955393	SLJVYZNUDDKEAF-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@]1(CNC2CCC2)CCCC12CC2	2223607092	SGINOJZNKLIKDH-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CC1(CC(=O)c2ccc(C3CCC3)cc2)CCC1	2223681950	WNYKYCRPCSSHFZ-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCC1CC(C[C@@H]2CCc3cc(C)ccc3N2)C1	2224122473	ZCVKAXKTZOCRED-XUJLQICISA-N	243.394	4.548	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1ccc(Cl)cc1C	2244781124	JBLJWMYOHLSWNI-BXUZGUMPSA-N	240.774	4.508	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC(C)C1)C(C)(C)C	2246517958	GOSYRRNTLNTTEN-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC(=O)CC[C@@H]1CCCCC12CC2	2246625042	VGMVSSKJQYOBPP-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCCCC[C@H](N)CC[C@H]1CCC[C@H](C)C1	2246732764	NPSGIQZXFNLCPA-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
CCCC1([C@H](N)CCCC[C@H]2C[C@@H]2C)CCC1	2247148478	JMIPVQSHAUZPCD-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C[C@@H]1CCC1(C)C	2247316869	ZQNFWPLVDZFHLU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CCC2(C)C)CC1	2247447731	NPVDJXIBRCEODM-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
Cc1cc2sccc2c(C[C@@H]2C=CCCC2)n1	2249496013	WJNSKLSWPBFFKO-GFCCVEGCSA-N	243.375	4.504	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)[C@@H]1CCC2(CCCC2)C1	2250378883	AXICJKNGCYZFAS-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)CNCC1(C)CCCCCC1	2250382492	TYCKZWLCZPYNTG-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
Cc1scc(C(=O)[C@@]23CCCC[C@@H]2CC3)c1C	2251108332	UBVCBNLOWZNCKA-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CCCN[C@@H](CCC1CC(C)C1)[C@@H](C)CCC	2251757146	KNSAHIUAHHKEDZ-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCCCC12CC2)C1(C)CC1	2253803149	FJBNHDRTMWNEGD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CC2(CCCC2)C1)C1(CC)CC1	2254118546	GJJHIBPPZQWIQR-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@](C)(N)[C@@]12CCCC[C@H]1C2	2254588286	SFQVLLZGDOUGMR-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CCC2(CCCC2)C1	2254609246	XENDQPJRSUCYPD-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	2257257566	PQSZXNUTYXEFJT-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1	2257905411	BGLCGNMFWQXWEB-UHOFOFEASA-N	243.394	4.585	0	10	BJAE	
CC(C)NCC1(C[C@]23CCC[C@H]2CC3)CCCC1	2260684732	MYAXHACNZFLTDH-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@](C)(N)C1(C)CCCCC1	2298921454	VBKFUYMMLZJUNC-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@H](CCC(CC)CC)CC(C)C	2300675689	HIXBIXGRESSNRO-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H](N)CC2(CCC2)C1	2300677292	XZKAPBMZMQIZAA-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCC[C@@H](CC)CC1	2300701912	UZEJXXKLTYSYDF-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC1[C@H](C)C[C@H]1C	2300941583	FMRSFMWKQARTLJ-CHWSQXEVSA-N	231.383	4.575	0	10	BJAE	
CCC[C@](O)(CC1CCCCCC1)C(C)(C)C	2301138047	PWGRYPZXDGSVLN-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC(C)C(=O)CCC[C@@H]1C[C@H]2CCC[C@H]1CC2	2301242372	RRFHEOBAZOJVMZ-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
CCCC1CC(N)(CCCC2=CCCCC2)C1	2302349675	SLRVKIRHFNKFGC-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CC(C)C(CC(=O)CCC[C@H]1C[C@@H]1C)C(C)C	2302607729	BMOFSOCEJNAADS-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(O)CCCC(C)(C)C2)C1	2302723845	WQUQTUZTJKFMRO-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C[C@@H]1CCC(C)(C)C1	2302902213	NPHCWWKCQUITSG-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@@H](CC2(N)CCCCCC2)CC1	2303577231	HLYMRXAPZLEAHB-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CCCNC[C@]1(C[C@@H](CC)CCC)C=CCC1	2307845138	SRVIGLBLNQGKSC-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1(C)CC2(CCC2)C1	2307909278	JUDWYMZKCQYIOK-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC1(N)C[C@H]2CCCCC[C@@H]2C1	2310427377	ZYRBAEITJQKIIS-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCCC1	2311570447	KVAFBGVELKPPPF-QSPRXWTASA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2C[C@@H]3CC[C@H]2C3)cc1	2312869074	KDTRZWFVGVFNEQ-VNQPRFMTSA-N	243.394	4.658	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)[C@@]12CCCC[C@@H]1CC2	2313289566	JAFPLZAJLQWTIX-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H](C)[C@H]1CC1(C)C	2317935059	YKAFEJYNYYAFQR-BXUZGUMPSA-N	249.373	4.796	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCCC1=CCCCC1	2318523966	JGYVQAMDXPEESH-INIZCTEOSA-N	249.442	4.992	0	10	BJAE	
CC(C)(CCCC1=CCCCC1)CCNC1CC1	2318593251	RTSIPYCEIVQBJO-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
N[C@H](CCC[C@H]1CC[C@@H]1C1CC1)C1CCCCC1	2319747604	GNGYHWRSVDWEAC-RRQGHBQHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cccc(C2CCC2)c1	2320650541	SLTHJGRGPAEQCM-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2CCC3(CC3)C2)C1	2321642580	PMHHVLPQBQOSBU-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccc(F)cc1	21789624	HQYSWISGHMMJSV-MAZHCROVSA-N	249.373	4.698	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1C)C1CCCCC1	35542807	XOEOHGHNIMYEIS-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCC[C@@H](NCC)c1ccc([C@H](C)CC)cc1	35544104	KEBUTLRADAAWMU-CZUORRHYSA-N	233.399	4.651	0	10	BJAE	
CCCC[C@@H](C)N[C@H](c1cccs1)C(C)C	37302517	PREPJFRPTIIWSV-OCCSQVGLSA-N	239.428	4.614	0	10	BJAE	
Cc1cc(O)cc(-c2cc3ccccc3s2)c1	65340452	NHTLOELHEWIFNE-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1cccc(C)c1C	68863368	OGJSVMVXVMVYDA-DOTOQJQBSA-N	248.410	4.943	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CC)CNC(C)(C)C	71128180	ADLGDASWMWJZIH-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](N)(CC)Cc1ccc(C(C)C)cc1	86567070	YMSJTWQVJZMHGM-QGZVFWFLSA-N	247.426	4.650	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C1CCCCCCC1	87690237	OZLMAAYVPCQKJM-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)C(=O)CC[C@H]1CCCc2ccccc21	93121527	AOOSRMITVXFYJQ-CQSZACIVSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CO)c1ccc(C)cc1	93142585	VUPCJBKIDULWLO-NVXWUHKLSA-N	248.410	4.677	0	10	BJAE	
CCCNCC/C=C(/C)[C@@H]1CCC[C@H](CC)C1	93675195	FCFDJCWQBPAEBD-YPCCIVHHSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@]1(N)CCCC[C@H]1c1ccccc1	104161232	PPPHRJFABRTEGI-IRXDYDNUSA-N	245.410	4.622	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H]2CCC[C@H](C)C2)cc1	109710062	LRCFNIFBHGKTNW-XJKSGUPXSA-N	244.378	4.648	0	10	BJAE	
CCCCCC[C@H](NCC)c1cccc(C)c1	109725721	XBKZJJTXNABQIX-INIZCTEOSA-N	233.399	4.616	0	10	BJAE	
CC(C)CCC(=O)C[C@@H]1CCCc2ccccc21	113477412	VWYNWBSUJVFOSS-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
CCC(CC)C[C@@H](O)C1CCCCCCC1	128016007	DQIMMLFDMGVUPU-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
NCC1(C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCCCC1	158902936	CYQBROILKSFJQV-XHSDSOJGSA-N	249.442	4.502	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1cccc(C)c1C	163452725	RFMOSDOPSPJCDH-HOCLYGCPSA-N	233.399	4.520	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccccc1	196089478	RJJQPZHIBPSGBC-XIRDDKMYSA-N	245.410	4.552	0	10	BJAE	
CC/C=C/CCCCCNc1ccccc1	198691650	LVYXIZXUNZQNMQ-ONEGZZNKSA-N	217.356	4.625	0	10	BJAE	
CC(C)Cc1c[nH]c2c(Cl)cc(Cl)cc12	232657410	DPCLFXDTDMYUHA-UHFFFAOYSA-N	242.149	4.673	0	10	BJAE	
CCCCC[C@H](C)c1c[nH]c2c(OC)cccc12	232981253	JCGNHXOQJQBTOE-LBPRGKRZSA-N	245.366	4.860	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)c1coc2ccccc12	233350982	SJHXKBFHECQQJM-LRDDRELGSA-N	245.366	4.520	0	10	BJAE	
Fc1ccc2[nH]cc(C3CCCCCC3)c2c1	236268889	SWRUCSMXSUMEGG-UHFFFAOYSA-N	231.314	4.745	0	10	BJAE	
CCCC[C@H](C)c1c[nH]c2c(C)cccc12	238797196	BISLUTRZSLHAPV-NSHDSACASA-N	215.340	4.770	0	10	BJAE	
CC(C)CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1N	251423742	QMKISAKBEAUDRT-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C(C)(C)CC	305904568	CFUYJHYMHLQJLO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCOc1cc(Cl)c2sccc2c1Cl	307504635	YMOHYYSXKOITAV-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CC(C)CC[C@H](C)NCC(C)(C)C1=CCCC1	308752191	BPRUMFXRJWMAKY-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC1(CC(=O)CC2CCCCCC2)CCC1	310231080	JLQUGQCKYGWRSW-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC1(C)CCC(C[C@]2(C)CCC[C@]2(C)O)CC1	313116021	PWUSRMFVWMJNCK-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](Nc1ccc(C)cc1F)C1CCCC1	313416718	VKJVYEUAEICAGM-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CCCNCC1([C@H](C)CCC)CCCCCC1	317285297	DVSKJHOJZFTDLV-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CC(C)=CC[C@]1(CNC(C)(C)C)CCC[C@H]1C	318241521	LQFBVJJFLYCTQQ-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H](C)C1(CNC(C)(C)C)CCCCC1	319042127	SQOCGWHYUBQSPI-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CN)([C@H](C)[C@H](C)CC)CC1	319477738	ALYPDCRYAHKDRW-WXLSXGNJSA-N	239.447	4.604	0	10	BJAE	
CC[C@H](C)C[C@H](C[C@@H](C)C1CCCCC1)NC	380036918	QRNUTRDHAJSZBP-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1C[C@@H](C)c2ccccc2N1	383558655	ZTEBHYHDYHHBKC-WWGRRREGSA-N	231.383	4.657	0	10	BJAE	
CC1(CC(=O)[C@@H]2CCCCC2(C)C)CCCC1	383833058	YCUCVTQUFVOLKN-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC(N[C@@H]2CC23CCCC3)CC(C)(C)C1	386880811	IHKLAJWGXAUOKW-CQSZACIVSA-N	249.442	4.514	0	10	BJAE	
Cc1cscc1N[C@@H]1CCCC[C@H]1C(C)C	387359380	UKRSAEDGISKLFS-QWHCGFSZSA-N	237.412	4.683	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H]1C[C@@H]1CC(C)C	388009189	NGDVVMHOESPYNQ-XHSDSOJGSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CC)C[C@@]1(CC(C)C)CCCN1	395124285	NEEKJURWANWRGK-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(S)c2cc(C(F)(F)F)sc12	396311329	VOTBZSOGSPEWIS-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC[C@@H](Nc1ccccc1SC)[C@@H]1CC1(C)C	397627095	UJBSYKHVLKPMLL-NWDGAFQWSA-N	249.423	4.645	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@H](C)C(C)(C)C	399326107	SCTDOOIOSNIRAW-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)c1csc(C)c1C	401046317	MJSLKHCEJFMKEK-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
Clc1cc(Cl)cc(NCC2=CCCC2)c1	401158289	HVLRDCOYHZTTJW-UHFFFAOYSA-N	242.149	4.516	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)CC1(C)CCCC1	401313767	YSVLLKYYEVFQBB-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1C[C@H]2C=C[C@H]1CC2)C(C)(C)C	402117447	BKWGKRCBJJSJDL-QPSCCSFWSA-N	248.410	4.620	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1CC[C@H]2C[C@H]2C1	403506629	BAJRRSPAJZNYBU-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](C[C@H](CC)CC(F)F)NC(C)C	688848362	AEFQZWKPWMRJIL-STQMWFEESA-N	249.389	4.615	0	10	BJAE	
CN[C@H](CC1CCCC1)c1cccc(C(C)C)c1	688920769	QLYAMUMQVXKQQW-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCC[C@H](C)Nc1cccc(C2CCC2)c1	690112922	YZHQRAQIXWARRW-LBPRGKRZSA-N	217.356	4.555	0	10	BJAE	
CCC[C@H](NCC1CC2(CCC2)C1)C1CCCC1	691950868	DXIYBPICRUPJEO-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C1CCC2(CC1)CC2	695598611	WGNDVKLOZYRUMH-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@@H](NC1CCC2(CC1)CC2)C1CC1	695693078	YHBSKFXDCRJMEX-MRXNPFEDSA-N	249.442	4.514	0	10	BJAE	
C[C@@](N)(C1CCCCCC1)[C@@H]1CC2CCC1CC2	704504881	CEFFIMCRIHMQOA-GMGZGELVSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CCC[C@](C)(N)C1CCCCC1	704837105	RAFDWDQBPIIILO-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)CC1CCCCCC1	704843873	HJFXMJQFYVJSCO-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](N)(c1ccc(C(C)C)cc1)C1CCC1	705367652	IGHDCTFMADBPRN-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](C)CC(C)C)cc1	709119981	VUKYOSKCHPSXIE-CYBMUJFWSA-N	232.367	4.504	0	10	BJAE	
CCc1ccc(CC)c(C(=O)[C@H](C)CC(C)C)c1	709124493	MQKIQUCQNWWPBC-CYBMUJFWSA-N	246.394	4.676	0	10	BJAE	
CCC[C@H](CCC[C@@H](C)CC(C)(C)C)NC	709188930	OZTVGVMIMAXVCT-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](Nc1ccc(C2CC2)cc1)C1CCC1	709659009	JYFRVUTYZFAVFY-MRXNPFEDSA-N	229.367	4.555	0	10	BJAE	
CC(C)(C)c1ccc(CC2CC2)c(Cl)c1	709878029	OVCZWOFVPFZCJV-UHFFFAOYSA-N	222.759	4.590	0	10	BJAE	
CCCC[C@@](CC)(CO)CCC(C)(C)CC	711268604	DXSYKAOYZQMWBI-OAHLLOKOSA-N	228.420	4.782	0	10	BJAE	
C=C/C=C/CCN[C@@H](CC)c1ccc(Cl)cc1	713503214	HKYVUYUFLBHBCL-NFAHFFEMSA-N	249.785	4.513	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)c1ccc(C)cc1	713736406	UZWLMDKJPGGMAP-JTGQJZMRSA-N	243.394	4.558	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1CCC[C@H]2CCCC[C@H]21	714431341	XXLUDSNHXYYWKQ-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@@H](C)CCNC(C)(C)C	718497774	VQJOGDBPTHOTFD-CYBMUJFWSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1CC(C)(C)CC[C@@H]1C	718593992	BFEXZPDYZTZQTL-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCc1cncc2ccccc12	718646657	HXBAMPHAGVEVTH-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CCCNC[C@](C)(CCC)CCCC(C)(F)F	718685222	KAUVAXAFOTWSHE-CYBMUJFWSA-N	249.389	4.618	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCCCC(C)C	1205889751	KHPXAWOBDFWODD-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
Cc1cc(NC2CCCC2)c2ccccc2c1	1621343938	CVDVTARXDPYDMM-UHFFFAOYSA-N	225.335	4.503	0	10	BJAE	
CCCC[C@@H](C)N(C)C[C@H](C)CC(C)(C)C	1643311865	CCAXUYMVOVDDLI-ZIAGYGMSSA-N	227.436	4.569	0	10	BJAE	
Cc1ccccc1S[C@H](C)c1ccccc1F	1651774101	BNFGJGHQFNBYSZ-GFCCVEGCSA-N	246.350	4.987	0	10	BJAE	
CC(C)C[C@H]1CCCN1C[C@H](C)CC(C)(C)C	1653295317	JUBQCTRRTACXBX-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
C1=CCC[C@@H](CNCCC2CCCCC2)CCC1	1659074082	WPTKDYQDQDKPTQ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C=C=CCCCc1ccc(Cl)cc1Cl	1885701462	GCCQMWVEWZQIII-UHFFFAOYSA-N	227.134	4.657	0	10	BJAE	
CCCNC[C@](C)(CC=C(C)CC)CCC	1900823324	PMLXSCIJZYFQEV-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CCCCCCc1c(F)ccc(OC)c1Cl	1901885420	VJXKSDHMACAJSP-UHFFFAOYSA-N	244.737	4.611	0	10	BJAE	
CCCC[C@H](N)CCCCC1=CCCCC1	1901966531	KSXPQAIWWPYDCP-HNNXBMFYSA-N	223.404	4.565	0	10	BJAE	
CCNC[C@](C)(CC)CCC=Cc1ccccc1	1911869413	BZJPGDGWAUSSFV-QGZVFWFLSA-N	245.410	4.506	0	10	BJAE	
CCCNCC(=CC1(CC)CC1)C1CCCCC1	1911956883	LWVTYNUNIDSTGC-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCC1CCC([C@]2(N)CCC3(CCCC3)C2)CC1	1916437719	MOZFZLYBNKXDBZ-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CCNC[C@]1(C2CCCCC2)CCCC12CCC2	1921598290	MTZWBUOUJFZZEV-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C1CCCCCC1	1924124091	HSYLYRZOWKRQCW-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1cscc1CC	1938825823	KHOQPCOCUXLHOB-SMDDNHRTSA-N	239.428	4.527	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)CC1(C)CCCCC1	1940410614	UCZAPEKMTMXNOL-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCCNCC(C)(C)C1CCCC1	1940773483	MKAPWAYOAVSASG-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@]1(O)CCCCC1(C)C	1940871665	FVZNTOSYIBFQMT-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(OCCC[C@@H]2CC2(C)C)c(C)c1	1940872403	MASQWFTWFVEXGG-CQSZACIVSA-N	232.367	4.509	0	10	BJAE	
CCCNC[C@H](CC(C)C)[C@@H](C)CCC(C)C	1942656959	NDAOXAFHDFQNCD-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@@]12CCCC[C@@H]1CCC2	1944223073	CHPAMLFZFDVTCF-TTZDDIAXSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(=O)CC1CCC(F)CC1)C(C)C	1944539451	LDDZHUYFNJWMSU-RUXDESIVSA-N	242.378	4.546	0	10	BJAE	
CC(C)(C)CCC[C@@]1(N)C[C@@H]2CCCC[C@@H]2C1	1946292356	IEMGIJAQVIRRDF-FOLVSLTJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc(CC)cc1	1947458543	GZUVIMRAVMIJEB-HOCLYGCPSA-N	231.383	4.630	0	10	BJAE	
CCC1(C)CC([C@H](N)CCCCCC2CC2)C1	1948404789	DHLFMWZVUYTEFP-HWOWSKLDSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C1(CNC(C)C)CC(C)(CC)C1	1948413096	MFHDLFJFZDEBBL-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](N)CCCCCC2CC2)CCC1	1949082477	JKDDNOHKIUZJEA-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C(C)(C)C2CCCCC2)C1	1949493538	OFCJSHILKAGYOU-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)C1(CO)CCC(C)(C)CC1	1950912468	XRANNTQBDJFCFH-AWEZNQCLSA-N	240.431	4.638	0	10	BJAE	
CCN[C@H]([C@H]1CCC[C@@H](C)CC1)C(C)(C)CC	1950921375	FEIQYMLLDWZEMT-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)[C@@H]1CCC[C@@H](C)CC1	1950924201	KMKAAIXALWSPRS-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)[C@@H]1CCC[C@H](C)CC1	1950929932	LGOPPHWYPPVFNU-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CCC1(CC)CC(Nc2ccc(C)c(C)c2)C1	1968254619	KADVBIZAAGXOHW-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
CCCC(C)(C)CN[C@H](CC)C[C@H](C)CC	1973170409	LHNQNDHZHADTRU-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(C(=O)[C@H](C)CCC(C)C)c(C)s1	1978420026	HIZFOIUGYKULSU-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](N)CCC)CC1	1980313563	ADPBPGNKPQCFDS-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1CCCCCC(C)C	1984370795	XIQKSQWGMCIUJD-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CC)NCC1(CCC)CC1	1990093116	HQPCOKVOLNRPFZ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCCC(F)F	1995205737	VDGDNSRCCXZKST-LLVKDONJSA-N	234.330	4.597	0	10	BJAE	
CC[C@@H](C)Cc1coc2c(F)cc(Cl)cc12	1995462684	AGRPQHRUUDMKKU-MRVPVSSYSA-N	240.705	4.814	0	10	BJAE	
CCC(C)(C)CCN(C)C1C[C@H](C)C[C@@H](C)C1	1995759488	QCZMWQZNJCXYDM-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@H](NC)[C@H]1CCC[C@H](CC)CC1	1997113478	BHWDKPDEHZOMJL-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)CN(C)[C@@H]1CCC[C@H](C)CC1	1997209873	ZHCXUEVPQOPKQQ-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CCC=CCCC1)NC	1999992066	DRUADJGCFSPXHP-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(C)n1C1CCC2(CCCC2)CC1	2000271821	CLQYGOWDXSGOOT-UHFFFAOYSA-N	231.383	4.780	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)[C@@H](C)[C@@H](C)CC	2000513345	IPSHBYOXFWLKTR-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCCCN[C@H]1CCCCC12CCCCC2	2001597832	XYTRLDFGAHTFEG-HNNXBMFYSA-N	237.431	4.659	0	10	BJAE	
CC1(C)CCC[C@](CN)(CCC2CCCC2)C1	2002973716	JCYRSQDIYDRXCT-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCCCCC1CCC([C@H](N)C(C)(C)C)CC1	2003067179	OIDXQYJIPDRMNK-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(Cl)nc(-c2ccccc2C2CC2)c1	2003078700	JHYKRMNKBFIUKP-UHFFFAOYSA-N	243.737	4.588	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)CCC2CCCCC2)CC1	2003104480	VRGQEQALBVLMGU-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H]1CCCCCCC1=O	2003116595	JVERXMKCNCSPJG-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
Cc1ccccc1C(=O)CCC(C)(C)C(C)C	2003646855	RBNGEZCZOVSJAC-UHFFFAOYSA-N	232.367	4.640	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C1(C)CCCCCCC1	2004919656	BQKMYHWVOFYPTK-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(O)CCCCC12CC2	2005540590	CKGWVHVZFWYSFC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C2(C)CCC(C)(C)CC2)C1	2007681400	KMLKIERFNOQFGO-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)CCNCC1(C)CCC(C)(C)CC1	2007682368	YVPATQRKQANBSY-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1NCCC12CCC(CC)(CC)CC2	2009058760	IQHNPZRRMHXTSD-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H](C2CCCCCC2)[C@H](O)CC1	2009409028	XXOOAGGXFLNCDF-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@H](NC)C1(C)CCCCCC1	2009588194	IUXHYJKNAXTWBO-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H]1CC[C@H](CC)CC1	2009618429	BORMXRWBDWRFAN-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCC)C(C)(C)C1CCC1	2009629105	PYPSSXGSGQWUQS-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C1=CC[C@H](C(C)C)CC1	2010720281	WTLJLGGBQQLIGG-DZKIICNBSA-N	238.415	4.556	0	10	BJAE	
Cc1cc(C)c([C@H](N)C2=CCC(C)(C)CC2)s1	2010737412	JFRCVVKWDUPJDR-CYBMUJFWSA-N	249.423	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CC(C(C)C)C(C)C	2015284519	OITSSQGSSOWUAE-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C[C@@H](C)C(C)C)C1	2015395218	WXCAMHNILILLMO-PMPSAXMXSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@H]2CC[C@@H](C)CC[C@H]2O)CCC1	2015631526	GMGVHLWQCPFHJG-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCC1(CC(C)(C)CNCC(C)C)CCC1	2015644058	IXKYGDRFNSRMIN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@@H]2C(C)C)CCC1	2015644115	JODRPYKNNHYHAC-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCN(C)CC1(C(C)C)CCC1	2017122928	GXDPWLHECQVZIT-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC(C)=C(C)[C@]1(O)CCCCC12CCCCC2	2017489406	HETZKFRPNZVSDA-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](N)(CC)C(C)C)CC1	2017728160	IHAXANZFDCVCHR-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(C[C@@H](C)[C@H](N)C(C)C)CC1	2017732974	GKPCVLKKWWODIP-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CC)NCC1(C2CCC2)CC1	2018135656	BHXQFVFDRQZSIJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CCCC[C@@H]2CC)CC1	2018965218	PDYRGIPFPJECMA-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@]2(N)CCCC[C@@H]2C(C)(C)C)CC1	2018983703	ZMZOROHLJZUZPE-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)CC1(CC)CC1	2019003579	NCRARNOGHKYNSM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)N(C)C1CCC2(CCCC2)CC1	2019305774	NQSSUPVISORGGD-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(CC)C(C)(C)C)CC1	2019478563	TVLAMHXBMJFCQQ-SHTZXODSSA-N	239.447	4.713	0	10	BJAE	
CCSc1cccc(NC[C@H]2C[C@H]2C(C)C)c1	2022482439	CDBYIVVNACIPFI-DOMZBBRYSA-N	249.423	4.503	0	10	BJAE	
Cc1cccc(C)c1-c1ccc(N)c(C)c1Cl	2023973173	GBOSSVLYSHOYDI-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
c1sc(C2(C3CC3)CCCC2)nc1C1CCC1	2026537871	JNNVRKYJBQUNND-UHFFFAOYSA-N	247.407	4.632	0	10	BJAE	
CC1(C)C[C@]1(C)c1nc(C2CCCCC2)cs1	2026608034	YCJJVJINWDGTBE-OAHLLOKOSA-N	249.423	4.878	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)CCC[C@@H]2CC2(C)C)c1	2027842397	IHKWGJULUQJBGJ-CVEARBPZSA-N	246.394	4.553	0	10	BJAE	
CCCN[C@H](CCCC1CCC=CCC1)C1CC1	2028870214	PDVCQFPRCIKJDU-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)CC1CCCCC1	2028897210	KADZVQCJIYPIIE-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C1CCC(CNC[C@@]23CCCC[C@@H]2CCC3)CC1	2031808564	LSLQCTOFIJEMGF-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)C(C1CCC1)C1CCC1	2032485391	ZHLDTYQALZDHBE-IUODEOHRSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)C(C1CCC1)C1CCC1	2032485393	ZHLDTYQALZDHBE-WFASDCNBSA-N	248.410	4.598	0	10	BJAE	
CCCCc1ccc(NC[C@@H]2CC[C@H](F)C2)cc1	2032947818	KKLCYYAZQRNMJY-CABCVRRESA-N	249.373	4.579	0	10	BJAE	
CC(C)[C@@H](N[C@H]1CCCCC12CCC2)C1CCC1	2035886202	OQCQDWXLTPIYGA-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CC1(CCN[C@H]2CCCCC23CCC3)CCCC1	2035889435	VQGHIJZWCXGNRZ-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
c1cn(C2CCCCCC2)c(C2CCCCC2)n1	2036775942	KKTYEUJVXGCLKZ-UHFFFAOYSA-N	246.398	4.826	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C[C@H]2CCC[C@H](C)C2)c1	2037047951	ICIAAXPVNYJAFF-NUTKFTJISA-N	245.410	4.520	0	10	BJAE	
N[C@H](CC[C@H]1C[C@H]2CC[C@H]1C2)CC1CCCCC1	2038168112	TWLRZNKIXZZEQP-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCC3(CCC3)C2)CC1	2043605460	LNLZYHHYAQCQBM-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CC[C@H]1N[C@@H](CC(C)C)c1ccccc1	2043675805	JDBCWTOBONQRGG-OIISXLGYSA-N	245.410	4.552	0	10	BJAE	
O=C(CC[C@H]1CCC=CCCC1)c1ccccc1	2045311780	VPFVRZFBSCAFPO-HNNXBMFYSA-N	242.362	4.786	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@@H](N)c2ccccc2)C1	2045515567	CKAHPCGPFJLYJQ-GDBMZVCRSA-N	245.410	4.683	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CC2CC3(CCC3)C2)C1	2045555707	LYROGBSOXWAFJL-IUODEOHRSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N1CCCC12CCCCCC2	2046561458	GEKMBYOIFLVLHV-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
O=C(CCCCCC1CC1)C1[C@@H]2CCCCC[C@@H]12	2048368547	AMFMBVDHSLZSAP-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
NC1(CC2[C@H]3CCCCC[C@H]23)CCCCCCC1	2048442723	GXODWIWVTRJWQY-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049218367	FUBYFQUZUGEDKX-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@@H](C)c2ccoc2)CC1	2049411860	LMHAOZVMVYRBAM-DNDYEEKYSA-N	249.398	4.535	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H]1CC12CCCCC2	2051407244	SLDCTENTQRYVHL-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)[C@@H]1CCCCC12CCC2	2053356658	FYSJLYXFWARNNO-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
O[C@H](CCC1=CCCCC1)[C@@H]1CCCCC12CC2	2053419790	HLBVVNNTIHIJKH-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
C(CNC[C@H]1CCCCC12CCC2)CC1CCC1	2053433538	HLGMNXZJFSVXJK-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
Cc1ccccc1[C@@H](N)C1(C)CCC(C)(C)CC1	2056556028	DATDULDKZHHBOB-OAHLLOKOSA-N	245.410	4.601	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CC1CC(C2CCC2)C1	2056673340	KRCMPSUJHNRXBL-QTISTPMNSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@@H]1CCCC(C)(C)C1	2056873508	OBMIRCHMUKZEBX-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C/C=C/C[C@@]1(CNCC(C)C)CCCC12CCC2	2057060546	TVMLDPHBKCYFLA-BDUNBXCCSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC1(C2CC2)CCCC1	2057649669	XWGAEGPUIBFUGC-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CC(NC[C@@H]2CCCCC23CC3)C1	2058833110	JRIOURNGLDOBFE-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C1=CCC(C)(C)CC1)C1CCCC1	2061111589	WOPXPOOBAOUUFV-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@](C)(N)CCC2CC2)CC1	2061113606	PVRQDRIPLGJOGP-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccccc1OCC[C@@]12CCC[C@H]1C2	2061598586	ZHQAAKUVMKXLAP-WMLDXEAASA-N	244.378	4.769	0	10	BJAE	
C1CCCCC(NCC2CC(=C3CC3)C2)CCC1	2061630528	BZMHVBWWJYMFPM-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC1CC(=C2CCC2)C1	2061704890	WJFXWJYCOLIUMP-SJORKVTESA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC(CC(=O)CC23CCC(CC2)CC3)C1	2065276951	JANXXPZTQCJUNQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CC(C(=O)CC23CCC(CC2)CC3)C1	2065277811	RQAPRVVZFHPPSU-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc([C@H](C)N[C@H](C)C2(C)CCCC2)c1	2067508165	JINVHTAUGAOAFP-LSDHHAIUSA-N	245.410	4.614	0	10	BJAE	
CCCCc1ccc(N[C@H]2CC[C@@H]2C2CC2)cc1	2071797867	JNNMXVNDBRWKSY-SJORKVTESA-N	243.394	4.630	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CC[C@@H]1C[C@H]1C	2072090542	JKZZLASXWKCCDJ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC[C@](O)(C[C@H]1CC[C@H](C)CC1)c1ccccc1	2072670344	XZCHJDBDLVDPAD-ZOBUZTSGSA-N	246.394	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(C)C[C@H]2CCCN2)CC1	2072821926	PPPPZBKRHQIBBZ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@](O)(CC)c1cc(C)c(C)cc1C	2073343662	YBFWXDNBDJHGAQ-QGZVFWFLSA-N	248.410	4.790	0	10	BJAE	
CC1(C)CCC(CN)(C[C@]23CCCC[C@@H]2C3)CC1	2074028149	FUESBBVVNPBAHP-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)CC1(CC)CC1	2074645227	ZFSYIHQGCYVGJE-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2075564869	LEGKDGMEPWFYQZ-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CN([C@H]1CCCC1(C)C)[C@@H]1CCC12CCCCC2	2077362582	OHJOMAMZBJVROK-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@H]1C1CC1)C1CCCCC1	2079331126	BVPMQDBFYDORQR-HIFRSBDPSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCC[C@H](C)CC1	2081947113	ORWPWBJGJYGDJJ-SWLSCSKDSA-N	249.373	4.769	0	10	BJAE	
C[C@H]([C@H]1CC[C@H](N)CC1)[C@@H]1CCC2(CCCC2)C1	2082132366	DIXMDABLHVETIZ-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CCCNC23CCCC3)C1	2083814600	SBDPSKWSSHMJNB-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)CCCCCCC1CC1	2213582442	HUHIEABRSIZLQB-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CC1CC(N)(CCCCC2CC2)C1	2214565253	LFYOLRNNOJEYJQ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C(C)(C)C(C)C	2214566473	XAOZWUYMSLUVLT-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)CC1CCCCCC1	2215343952	XPLZBXDUFFDDFI-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
Cc1cccc(NCc2sc(C)c(C)c2C)c1	2215532592	BQSOMOOOBMYAHH-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)CCC[C@H](C(C)(C)C)C1	2216247433	MCNWQZAHLRHLFW-YXWQFLTLSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)CCNCCCCCCCC1CC1	2216883653	MSMOXYBDSRKPIQ-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
C[C@@H]1C[C@@H]1C[C@@H](N)CCCCCCCC1CC1	2216884450	VURFCTNOAHGSTJ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NCC1(C[C@H](C)CC)CC(C)(C)C1	2217124742	KATZTCXFASDXLS-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NCC1(C[C@@H](C)C(C)(C)C)CCC1	2217125901	BPBYVXPZAJLEPY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1([C@@H](C)CC)CCCCCC1	2217136146	HYYBOBVZDCYPSI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CN[C@H](C)CC)C[C@@H]1CCC[C@@H](C)C1	2217136577	OXHGSKBMAKXFML-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC(C)C)C1CCCC1	2217154293	SLOCQMHGBUGNTQ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
N[C@H](CC[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218363225	CTLROLVIEFFMSG-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218382865	OFJNQXOMTZCKCE-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CCC/C=C/c1ccccc1)NCC	2219095954	QNFJOPDCWFMOGJ-ZGUWOUCSSA-N	245.410	4.648	0	10	BJAE	
CCN[C@H](C/C=C/c1ccccc1)C(C)(C)CC	2219096036	RIWSJGDXKZXWPM-QSOAKEGCSA-N	245.410	4.504	0	10	BJAE	
CCC[C@](O)(CC[C@H]1C[C@@H]1CC)c1ccccc1	2220850762	MQELRUBKCNAATI-ZOBUZTSGSA-N	246.394	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@]1(N)CCCCC12CCCCC2	2220853164	QEEKPQAWWWHFLH-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC1(C)CC2(CCC2)C1	2220975969	UURKGRNNOWRKRL-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CC1(C)CC2(CCC2)C1	2221035747	RXRJNRPLCPSOJJ-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](CC)CNc1ncccc1C1CC1	2221375368	LUFKYZONMBKEOC-ZDUSSCGKSA-N	246.398	4.587	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2[C@H]3CCCC[C@H]32)CC1	2221640092	IVZBBMMNARBEJF-IVSAIRAKSA-N	246.394	4.518	0	10	BJAE	
CCC1(N)CC(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2222969731	FOAGOVARAIOIAH-JPLDOALUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CC(C)C2)CC=C(C)CC1	2223590202	VKTQYLWVXWNOJK-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@](O)(CC)CCCC[C@H]1C[C@H]1C	2243032818	CCFWAYKNGFLESM-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@H](CC)CCC	2244776473	YNOYFMXPBJBCMY-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H]1CCC(=O)C1	2244844998	JWFQVDALGLNECI-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)[C@@H](O)CC[C@H](C)CCCC(C)C	2244852441	UMNQSWMRVAGZRK-ILXRZTDVSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](C)CCC[C@H]1CCCCC12CC2	2246627014	OCMACFMXQZBCMI-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC[C@H]1CCC[C@@H](C)C1	2246656200	JQOKQFCVJBBJJI-QLFBSQMISA-N	238.415	4.844	0	10	BJAE	
CSc1ccccc1NCCCC[C@@H]1C[C@@H]1C	2247121104	PFSWLOKLDTYHJB-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CCCC[C@@H]1C[C@@H]1C	2247167256	WVEPZQJUTPUKOM-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C[C@H]1CCCC12CC2	2247599739	GFALVTFRVXUNCQ-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC[C@H]1CCCC12CC2)NC	2247619426	NSGZOUFZGYODFI-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2CC23CCC3)c(Cl)c1	2248282587	GCDFTAKUKNNCGE-NEPJUHHUSA-N	249.785	4.639	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cccc2sccc12	2250353135	RQEDQHLOVPUCDJ-NHYWBVRUSA-N	247.407	4.727	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC(C)(C)C(F)(F)CC	2250368905	UBWACIYXDBSKIX-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
CC[C@H](NC)[C@@H](C)CC[C@@H](C)CCCC(C)C	2250480224	DKGSMAJOSDOQSL-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](C)CNC1CC1	2250492438	VQMWYBITIUUIMF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)N[C@@H]1CC(C)(C)CCC1(C)C	2251682694	XTAVZGQDJQFORZ-ZIAGYGMSSA-N	239.447	4.616	0	10	BJAE	
CN[C@@H](CC[C@H]1CCCCC12CC2)CC1CCC1	2253837248	DKUDDQQMBBTXCQ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
O[C@H](CC1=CCCCC1)C[C@H]1CCCCC12CC2	2255095031	QHSPUJJEMRYFMC-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@H](N)CC[C@@H]2CCCC23CC3)CCCC1	2255290319	DMNXMANBXDZEDF-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1(C[C@@](C)(N)[C@@H]2CC23CCC3)CCC1	2256460117	VFWRCXNTMGMBQM-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(N)[C@@H]2CC23CCC3)CC1	2256490431	RTXJTIKHIFSJRM-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@]23CCCC[C@@H]2CC3)C1	2260514677	BYIQSDUUZITTQI-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@]12CCC[C@@H]1CC2	2260578784	NJCVAMXXIZCIRE-PBHICJAKSA-N	239.362	4.530	0	10	BJAE	
O=C(C[C@@]12CCC[C@@H]1CC2)C1CCCCCCC1	2260581276	YZSSWICFJYRDKE-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@@]23CCC[C@H]2CC3)C1	2260672163	OAYCGBYKGXODLR-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC(=CC[Si](C)(C)C)C1	2296543416	TZMQHWRALBSUIC-UHFFFAOYSA-N	210.437	4.851	0	10	BJAE	
CCC(CC)CC[C@@H](CNCC(C)C)C(C)C	2300674489	VJLZIRJJNLGVQE-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
CCC(CC)CCC1(N)CCC(C(C)C)CC1	2300700511	MRJJTVCVYQGVQU-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CC=C(C)CCCC(C)C)[C@@H](C)NC	2300900839	CACTZRAEAOTAKZ-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC=C(C)CC)NC	2300904723	RPAPYAACLXHVRL-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CCCC1(C[C@H](N)CCC2=CCCCC2)CC1	2301898578	ANFXYAXPIGVNER-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CC1(C)C[C@H]1c1csc([C@H]2CCC23CCC3)n1	2302269909	XSCZKIJZWDMVMR-MNOVXSKESA-N	247.407	4.704	0	10	BJAE	
OC1(CCCC2=CCCCC2)CCCCCC1	2302325217	FELYOEFXUZRPGO-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
Cc1cccc(NCCCC2=CCCCC2)c1	2302345663	VLGPPZAJEBZJFE-UHFFFAOYSA-N	229.367	4.688	0	10	BJAE	
C[C@]1(O)CCCC[C@@H]1CCCC1=CCCCC1	2302362527	ZVLRGOOJHFVDEE-CVEARBPZSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303444449	JXIHXGJSHBIXCR-JHJVBQTASA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303466722	YTVBWBHFOKYBIF-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCCC[C@@](O)(CC1CC1)C1CC1	2303738471	QSWPRYNGJUJUSS-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(N)CC[C@@H]1CCC(C)(C)C1	2304437891	SQHFKRNUOQEFBA-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCC1CCC(c2nc([C@H]3C[C@@H]3C)cs2)CC1	2307690066	YIYPRGPTOFRIAG-WTIISPKJSA-N	249.423	4.950	0	10	BJAE	
C[C@H]1C[C@@H]1c1csc(C2C[C@H]3CC[C@H](C2)C3)n1	2307702313	VOIILNKPMGNUGV-ZPFDUUQYSA-N	247.407	4.560	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(C(C)C)CCCCCN1	2307824135	UUMUGTHOCTYXEF-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)C(C(C)C)C(C)C	2307825884	GKPYNLLYLBJSJA-GDBMZVCRSA-N	241.463	4.848	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CCCC(C)(C)C1	2307832516	UBQJJTFBJFAFNR-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCC(F)(F)CC1	2307839788	BSJJQRKPMJGRCU-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	2308399654	CSBBVRCOWWQGTH-MWDXBVQZSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H]1CCC[C@@H]2C[C@H]12	2309964332	MOWBNQPTIKUHBR-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC[C@@]23CCC[C@@H]2C3)CC1	2310380267	RVCJPFSIMCKJMB-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)CCCC(C)C)cc1O	2315954028	MCSSSSKQAAPESA-CQSZACIVSA-N	249.398	4.636	0	10	BJAE	
CC(=CCN[C@H]1CCC2CC1C2)CCCC(C)C	2316491467	OBKTZLVRFYDNCB-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN(C)CC1CC=CC1)CCCC(C)C	2316516475	GYVODHVVFQCDAW-UHFFFAOYSA-N	249.442	4.657	0	10	BJAE	
CC(=CCc1cn(C(C)C)cn1)CCCC(C)C	2316566012	SNKQYYLDGAEZNF-UHFFFAOYSA-N	248.414	4.779	0	10	BJAE	
CC(=CC[C@H](O)c1ccccc1)CCCC(C)C	2316574490	WQVPZZJGKDMBDG-KRWDZBQOSA-N	246.394	4.883	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1ccccc1C1(C)CC1	2317830593	INPPXFCFBVGSTG-KGLIPLIRSA-N	245.410	4.831	0	10	BJAE	
C[C@@H]1[C@H](N[C@@H]2CCCC3(CCCC3)C2)CC1(C)C	2318185912	MCQTWEUWKFRGOT-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)CCCC1=CCCCC1	2318539481	GXHBGKFQIACAFE-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@@](C)(NCCCC2=CCCCC2)C1	2318580661	NKVHFEXNQSEOQA-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)CC1CC=CC1	2318885018	JDMASWHYVVJSRN-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCCC[C@H]2C[C@H]21	2319255079	IOJQJRKLPLQTBV-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@@H]2CCCC[C@@H]2C)CC1	2320410893	BLILOCWIXRUOFE-USXIJHARSA-N	249.442	4.633	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC(C)=C(C)C1)[C@H]1CC1(C)C	2320419777	KXRFTMDOBWDVFW-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
C=CC=CCC[C@H](NC)c1cccc(C(C)C)c1	2320513427	JFRCKKROWYKYGM-KRWDZBQOSA-N	243.394	4.593	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)C[C@@H]3CCCC[C@@H]32)C1	2321646219	VJIRMBSOYGAWAJ-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H]2C[C@H]3CC[C@H]2C[C@@]3(C)N)CCC1	2327773641	MCTNXKFATVEMHN-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1cccc2ccoc12	2328205895	HAPSRBDILXERAP-IUODEOHRSA-N	246.350	4.683	0	10	BJAE	
Cc1ccccc1[C@H](C)Nc1cccc(Cl)c1	20006732	RTSQRRHLQDOYPF-LBPRGKRZSA-N	245.753	4.822	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NC1CCCCCCC1	21801081	MTGYURQHTXXIFV-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CCC(CC)N[C@H](CC(C)C)c1ccccc1	21801725	KHWSJGCNAIMIRQ-MRXNPFEDSA-N	233.399	4.552	0	10	BJAE	
CC(C)(C)n1c2ccsc2c2sccc21	36421440	KRRXYNUPCDHOJE-UHFFFAOYSA-N	235.377	4.673	0	10	BJAE	
CCCC(CCC)NC(CCC)CCC	39118802	BSJIJKAGKDMENJ-UHFFFAOYSA-N	213.409	4.514	0	10	BJAE	
CCCC1CCC(N[C@H]2CC[C@H](CC)C2)CC1	80459995	IEXJVBQZJLIMLF-LBDPXKHJSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CC[C@H](C)[C@H](NC2CCCCCCC2)C1	85084399	CQKVTLREYBLNSN-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@H](NCC2CCCCC2)CC1	86897525	JJHBBQYPSPZTOT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](O)(C2CCC(C)CC2)CC1	86918876	GCXMAPVLROQPSS-BHDPWAOGSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1sc(C)cc1C	88047391	KNQFQLVKLOFGBV-STQMWFEESA-N	239.428	4.581	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)C2CCCC2)c(C)c1	112392350	KJGOBFJLOYULSX-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
CCCC(CCC)[C@@H](CC(CC)CC)NC	133365596	WNFSBDZPGYOIAM-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CC(CC)CC)c1ccc(C)s1	133439597	WCFXAHYFVKRMJV-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@@H](CC1CCCCCC1)NCCC	158236257	AMNCLWKAYZKFGP-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CCCc1ccccc1	163216170	ZJZCUOFZWKYVPZ-SJORKVTESA-N	247.426	4.553	0	10	BJAE	
CC(=O)c1ccc([C@H](C)C2CCCCC2)cc1	169264176	ITZGDQAFKWHBND-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CCC[C@H](CC)COc1cc(C)ccc1C	200909042	KZVOLOROFZEFNN-AWEZNQCLSA-N	220.356	4.509	0	10	BJAE	
CCCC(CCC)c1nc2c([nH]1)C[C@@H](C)C[C@@H]2C	212942344	KONXXXFVYRFSDA-RYUDHWBXSA-N	248.414	4.779	0	10	BJAE	
Cc1ccc(O)c(-c2cccc(C3CCC3)c2)c1	229656024	ZLABFLREOXAQKJ-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
C[C@H](CC1CCC1)Nc1cccc2ccccc12	229667692	WTTAKALGTJLRLF-CYBMUJFWSA-N	239.362	4.830	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2[C@@H](C)CCC[C@H]2C)c(C)c1	251019870	MCWNHLNZGSONOX-VIKVFOODSA-N	245.410	4.848	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CCCC(C)(C)C	300838353	JKTUXRGUCOPVKX-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H](C)CC(C)C	300945007	PDBJCRXUPJLQIP-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)[C@@H](CCCC(C)(C)C)NCC	300964632	YWRCSVDHUSVGFC-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(C(=O)CCC2CCCCC2)c1F	302274337	SEGUINZCRPSBIU-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@@H](C)CC(C)C	302326589	KHOONTJNTVHWQJ-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)c1cccc(C)c1	302439714	TYSNVNLBAGAWCE-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CCCc1ccc([C@@](C)(O)CCC(C)(C)C)cc1	302469119	FTTZZLFUPGOVNI-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCc1ccc([C@@](C)(O)CCCC(C)(C)C)cc1	305900907	BICHOCVXVBCLJY-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CC(C)c1cccc(NC[C@@H](C)C(C)(C)C)c1	305982449	FTFACQLCQWZVJQ-CYBMUJFWSA-N	233.399	4.904	0	10	BJAE	
C[C@@H](CCC(C)(C)C)Nc1cc(F)cc(F)c1	306020161	JKUOHOIRESXJIZ-JTQLQIEISA-N	241.325	4.592	0	10	BJAE	
CCc1cc2scc(Cl)c2cc1SC	306613407	NSWUCWCMKZDJFZ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1ccc(Cl)c2scc(SC)c12	306962831	CCQQTOLVDYTHEV-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CSc1cc(S)c2sccc2c1Cl	307536442	LBMHYVXQINZGCR-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC(C)c1nc(-c2csc(Cl)c2)cs1	307686505	BOYHCSHJQCTEEK-UHFFFAOYSA-N	243.784	4.648	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC(CC)CC	308043633	DIURRFXQRXUFKD-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCCC(C)(C)C	308052690	GZLZRBSIIKKRQC-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
C[C@@H](C[C@@]1(C)CCCCCN1)C1CCCCC1	310425457	PSBWXCSRLJOTTD-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@H](C)[C@H]2C)cc1	310467297	AHAHNVRSRQSDMU-BCUIYNNISA-N	231.383	4.657	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)C1(CC(C)C)CCCC1	318736564	JUQFJXJUPSKBIR-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccccc1[C@@]1(O)CCC[C@@H](C)CC1	381415622	ZNUSFPCCYAKCTE-RHSMWYFYSA-N	246.394	4.598	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CCCCC1)[C@H](C)CC	383943170	FHYSJHQUPGRXRR-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
C/C(=C/CCNC(C)C)CCC1=CCCCC1	384995914	UPKYYPLAJQPQCL-NVNXTCNLSA-N	235.415	4.601	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCC[C@@H](C)C1)c1ccccc1	385236931	UUVPDBLZLWOULA-YCPHGPKFSA-N	244.378	4.576	0	10	BJAE	
O[C@@]1(C2=CCCCCC2)CCCCC12CCCC2	386835286	QTUKHBOLHBQXRU-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)CCNc1ccc2ccccc2c1	394392315	PRFYGHLYEFSJCN-ZDUSSCGKSA-N	227.351	4.688	0	10	BJAE	
CCOc1sc2ccc(C(F)F)cc2c1C	396235227	FUADKRPHVFANFF-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCOc1csc2c(C(F)F)ccc(C)c12	396246613	PUPPYOGUWCERQY-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC1(C)CC1)NCC	401567524	QMJLQSNOKLRZQI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1cccc(F)c1C	401796779	ITYJKEPZXKEOOD-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CC(C)CNCC1(C[C@H]2CC=CCC2)CCCC1	402153418	OVHYAEWCWPBGSY-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)cc(C(=O)CCC(C)(C)C2CC2)c1	405754096	DDNFFDRXDQFVCO-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCCCC(=O)CC1(c2ccccc2)CCCC1	686737216	KHXVBIYYUGCVJY-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(C)c1cccc([C@H](O)CC2=CCCCC2)c1	688947503	FBSSJFAQKKSPPE-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CC1CCCCC1	691184751	JKZRPUSEEHWPTA-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](NCCC)[C@H]1CCCC2(CC2)C1	695937465	NDZJVHQAHBQJFC-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1CC(C)=C[C@H](C)C1	696677301	IJNGXNBRVOXDHN-CFVMTHIKSA-N	238.415	4.556	0	10	BJAE	
CC(C)=CCCCc1ccc(C)c(C)c1	698083440	KCOAANFMFUFBPX-UHFFFAOYSA-N	202.341	4.592	0	10	BJAE	
CCC(C)(C)C1(O)CCC(c2ccccc2)CC1	700899744	YSBAAUOXGOMLCG-UHFFFAOYSA-N	246.394	4.512	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1C[C@H](C)CC[C@H]1C(C)C	703732948	GQLSKPIUARBJLL-UHOFOFEASA-N	233.399	4.738	0	10	BJAE	
CC(C)CC[C@H](C)Nc1cc(C(C)(C)C)ccn1	703863274	OXJMYQHCSGSXLC-ZDUSSCGKSA-N	248.414	4.616	0	10	BJAE	
CCc1cccc(C)c1NCCCCC(C)C	703997822	JDWFRRNLQDITGY-UHFFFAOYSA-N	233.399	4.796	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)CCC(C)(C)C1CC1	704557677	NPLYVLIOWVHDBK-OCCSQVGLSA-N	240.431	4.636	0	10	BJAE	
CCCCc1ccc(N[C@H]2CCCC23CC3)cc1	706591896	NQUFULKTDOWKAY-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H](C)CC(C)C	708298458	SQBASWSTCBOPDN-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
CCC[C@@H](CCC[C@@H](C)CC(C)(C)C)NC	709188928	OZTVGVMIMAXVCT-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H](C)CC(C)(C)C	709263010	VCQQDYWLXFMAHA-ZFWWWQNUSA-N	228.420	4.780	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)(C)C)C1(C)CCCCC1	710825409	UNYVJENYFDKGRC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CC[C@@H]2CCCC[C@@H]2N1	712300872	ULFWQPGFIXOYBW-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@@]1(N)CC(C)(C)CC[C@H]1C)C(C)(C)C	713077182	HSQYFZVGFUFGFZ-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC1(N)CCC2(CCCC2)CC1	713131991	ROEADBDXKKIOOO-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C=C/C=C/CC[C@@H](NCC)c1cccc(Cl)c1	713713218	YUSWRZPMTZMRSO-LLYBFZRZSA-N	249.785	4.513	0	10	BJAE	
C=C/C=C/CCC[C@H]1CCCC(F)(F)C1	713747247	WLNKBQNKKRTLCW-PCAWENJQSA-N	214.299	4.724	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@@H]1C=CCCCCC1	717461100	DESCHOHAVCRRBR-BZUAXINKSA-N	249.442	4.680	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)CCCC(C)(F)F	718613686	VGFZQYUZRBYDLA-XFXZXTDPSA-N	247.373	4.536	0	10	BJAE	
CC(F)(F)CCC[C@@](C)(O)CC1CCCCC1	718723487	UFDDNKQCQCLPET-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2CCCCCC2(C)C)C1	719291350	KJSGUJVHEHMMSX-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2	720350989	MYYHEQQWWNFKGV-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H]1CCNC12CCCCC2	721033000	IQPXJQHTXSVWML-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H]1[C@H](C)CNC1(CC)CC	721883784	LTTYGLQSNFKYDL-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C1=C(CCN2CCC[C@@H]2C2CCCC2)CCCC1	1190464676	GHVNHENSFJOPAS-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
c1ccc(SC[C@@H]2CC3CCC2CC3)cc1	1559327586	LLXMPCZQQSJCAW-RUXDESIVSA-N	232.392	4.605	0	10	BJAE	
Fc1ccc(SCC2CCCCCC2)cc1	1640574410	FEYZEVOKSFYHGK-UHFFFAOYSA-N	238.371	4.888	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CC3CCC2CC3)CC1	1659855804	YJGJUSFGUBGROE-YYUOFMGYSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(Cc1ccccc1)C(C)C	1889169501	IATJCXBRKHRIRL-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)CC(C)(C)C	1900858512	PCQGIVGKOUGKHN-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCc1ccc(F)c(CCCC(C)C)c1F	1901883641	VZPTVYMDHOIVKF-UHFFFAOYSA-N	226.310	4.506	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1C[C@H]1C1CCCC1	1910809947	TYACNMQKBCTMQY-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CNC(C)(C)C)CC2(CCCC2)C1	1912571766	VIUNJTCYLFJUTP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC=CCNc1ccc(OC(C)C)cc1C	1914696205	YKKRDVULEKYGCQ-UHFFFAOYSA-N	247.382	4.550	0	10	BJAE	
CCC(CC)C[C@@](C)(N)c1ccc(C(C)C)cc1	1920440064	HSKHGHFPUAFMIE-QGZVFWFLSA-N	247.426	4.810	0	10	BJAE	
CC1(Cn2ccnc2C2CCCC2)CCCCC1	1923593044	KSFFYKIXLDDKOG-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
C[C@](CO)(CCC1CCCCC1)C1CCCC1	1923909602	RLMFGWGMSNBJJY-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CC[C@H](C)C[C@@](C)(CNC(C)C)C1CCCC1	1924074875	IJKPNEIIPIYIFA-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H](C)C1CCCCC1	1924137969	FXQRMJKPQFVHHL-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
Fc1ccc2c(ccn2C[C@@H]2C=CCCCC2)c1	1925793275	KJKLILDYNVNVCZ-CYBMUJFWSA-N	243.325	4.527	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1NC[C@@H]1C=CCCCC1	1925943049	PECHYPZZNJSFQZ-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCC(C)(C)C[C@H]1C	1926159230	IANTYBHXQXQZRU-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2C=CCCC2)C1	1932603756	HTLMGMHQGVSQNK-QLFBSQMISA-N	206.373	4.949	0	10	BJAE	
CC(C)c1cnc([C@@H]2C[C@@H]3CCCC[C@@H]32)s1	1936501248	VGVZWQTZTGSELF-SDDRHHMPSA-N	235.396	4.560	0	10	BJAE	
Cc1cscc1NCC(C)(C)C1CCCC1	1938422126	UISWOHLCIKWUPQ-UHFFFAOYSA-N	237.412	4.685	0	10	BJAE	
CCCNC[C@@H](CCC)CC1(C)CCCCC1	1940406377	MBYOKAXKMZLFTA-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CC1(C)C)CCC(C)(C)C	1940857426	XDOXJKDMXXYTTO-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@H](CC)C(C)C	1941264923	UHGNKSDHCJXUSN-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CNCC1CCC=CCC1	1941814452	CYZKZVNFEQUAJV-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC(C)C)C1(C)CCC1	1942653504	QZABJFABLZCNGZ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)([C@@H](C)CCC(C)C)[C@@H]1CC1(C)C	1942656036	CFEBWOALYRJWCU-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(N)CCC12CCCCC2	1942657142	FFDQQNUVOPYFNO-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C[C@@H]1CCC[C@H]1C	1944831117	JFAIFOMTYPUPAF-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(N[C@H]2CC[C@H]3CC[C@H]2C3)c1Cl	1947123603	LSEOCXYEAAVAMJ-AGIUHOORSA-N	249.785	4.639	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1C=CCCC1)C(C)(C)C	1947584302	FRGLSMOIJUENFP-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)C(=O)[C@@H]1CCC2(CCCC2)C1	1949498590	OOBJETIRGIOJCV-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](NCC)[C@@H]1CCCC(C)(C)CC1	1950915295	ZBTAWFVYOXOTMM-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](NC)[C@@H]1CCCC(C)(C)CC1	1950920378	UXPMOMDPQFJJCU-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC=C[C@H](C)Cc1cc(C)ccc1OCCC	1951308748	MUJTWBRDZPRIEV-AWEZNQCLSA-N	246.394	4.929	0	10	BJAE	
FC1(F)CC[C@@H](C[C@@H]2C=CCCCC2)C1	1959891379	VADQUWPTKZAUBZ-NEPJUHHUSA-N	214.299	4.558	0	10	BJAE	
CC1=CC[C@@H](N[C@@H](c2cccs2)C(C)C)CC1	1964536667	CKPCKPVUYSZNMW-UKRRQHHQSA-N	249.423	4.534	0	10	BJAE	
CC1CC(C)(COc2cccc3ccccc23)C1	1968275049	CGSFGQHNTRQLQR-UHFFFAOYSA-N	240.346	4.655	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCCCC12CC2	1972725744	QTSLVCLWXSCCHA-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CC(C)C1CCC(NC2CC3(CCCC3)C2)CC1	1972914334	REJBIIPTPHONTA-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1CCC[C@@H](C)C1	1978451804	PRBXTOSCFDUCJN-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1cnc([C@@H]2CCCC(C)(C)C2)s1	1980273489	FGQWNNCPOUGMGY-LLVKDONJSA-N	237.412	4.950	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H]1CCCCCCC1=O	1980342224	QMLZSOKAIZONFH-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCc1csc([C@H]2CCCCC23CCC3)n1	1981840112	GZWNOOXUEZTQRI-GFCCVEGCSA-N	235.396	4.533	0	10	BJAE	
CC[C@H]1CCC[C@H](CCCCCC(C)C)N1	1987090491	PJWCPTWUDUZMKV-GJZGRUSLSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)C(C)(C)CC	1989818801	LUKQATUQGRMUFF-KGLIPLIRSA-N	227.436	4.760	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)CC1CCC1	1990089950	SEIUEQIEIVPUMJ-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC1(CCC)CC1	1990645341	SIMKNLFULVQUSR-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCC1CC(CC(=O)CCC(C)(C)CC)C1	1994832812	JSXAWLWYDIMICA-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H]1CCCCN(CC(C)(C)C(C)C)C1	1995756770	NPIBMZZNUUHDMJ-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@@H]1CC[C@@H](C)C1)C(C)C	1996232053	ZKLNBKDFBANSLQ-KFWWJZLASA-N	238.415	4.700	0	10	BJAE	
CC[C@@](N)(C1CCCCC1)[C@@H](C)CCC(C)C	1996585367	HGZHPMWCKNDXTM-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)CCC=C(C)C)CC1	1997209325	VVPBHXBVTIHTON-HZPDHXFCSA-N	237.431	4.633	0	10	BJAE	
C[C@@]1(C(=O)CCCCCC2CC2)CC=CCC1	1997607312	TWTGTUHGJGMLAT-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@H]1CC(C)C	1998759729	PLBJLQVPSJNNFC-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1CCC=CCCC1	1999984124	URRMVFHNTOYIAJ-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](O)CC2CCCCC2)C1	2000029648	ZQIACRAAFXHTAY-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)C1(C)CCCCCC1	2000390564	OQJCFYFKBYIGDI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](CC)(CN)CCC[C@@H]1CC1(C)C	2000493281	CIJASIZAFCJDDO-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@@](C)(CNCCC)C[C@H]1C=CCC1	2000522119	AXPUQHUANUJWII-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)N(CC(C)C)C[C@H]1CCC[C@@H]1C	2000904689	ICGPLGCZCIVKPQ-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1CC1CCC(C)(C)CC1	2009239650	ZLYXEQJKQLVKAO-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC(C)(C)CC)[C@@H]1CC	2009248129	GITXCLAQRIJBJD-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C(C)(CC)CC)[C@H]1CC	2009250471	XHKUYAJKGJVXBT-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@@H]1CCC(C)(C)C	2009408583	VEHAIQRAZTWWDH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@]1(N)CCC2(CCCCC2)C1	2009576142	ISUWLFNMQHCEBI-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)C1=CCC(C)(C)CC1	2010714749	JFQDZAOJGIFVAI-JSGCOSHPSA-N	238.415	4.556	0	10	BJAE	
CC(C)c1ccc(OCCC[C@H]2C[C@H]2C)cc1	2011568445	PPBMPBPRWAMINJ-HIFRSBDPSA-N	232.367	4.625	0	10	BJAE	
CCC[C@@H](C)CC(=O)C(F)(F)C1CCCCC1	2012958946	UQBLDQQDMWKOLC-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](C)C(O)(C1CCCC1)C1CCCC1	2013226743	CNLQZYNTODENPD-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cc(C)ccc1C	2013264128	KTQHZWBKGGIWQA-OAHLLOKOSA-N	233.399	4.930	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@H](C)C(C)C)CC1	2015285199	UOEWITIFBZETBD-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)C1(CC2(N)CCCCCC2)CCC1	2017148364	NIUHZWYBNTVPNP-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCNC[C@](CC)(CC(F)=C(C)C)C(C)C	2017465979	JLAILRPNYMNJTA-HNNXBMFYSA-N	243.410	4.692	0	10	BJAE	
CCC1CCC(C[C@H](O)CC(CC)CC)CC1	2017650392	GNMHBADLDSIVSU-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CCC(F)(F)C(C)(C)C[C@](C)(N)C(C)(C)CC	2017791864	IVOWGFDYDRRNMS-ZDUSSCGKSA-N	249.389	4.602	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCCC2(CC2)C1	2018138151	CLSNMSDXIYHJSZ-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCC(C)(CC)CN(C)[C@@H](C)c1ccccc1	2019115218	REVFCLXCFFOONI-AWEZNQCLSA-N	233.399	4.506	0	10	BJAE	
CCCCC[C@](O)(CC)CC(C1CC1)C1CC1	2019682379	BRNCRWWSRVOHDB-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCN(CCC1CCCC1)C1CCCCCC1	2020500389	CSPAEXDWYATYAY-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCCNC12CCC2	2020576798	ABUGHJFTEFCMTK-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@H]1Cc1nc(C2CCCCC2)cs1	2026600163	ZAPBZVPDQJYGLM-GFCCVEGCSA-N	249.423	4.779	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@](C)(F)c2ccc(N)cc2)C[C@H]1C	2027935448	GZMOPGCATFUPGY-HLSYRSCKSA-N	249.373	4.526	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1cc(C)c(C)cc1C	2028242161	YHQOTRATKMDSOP-WBVHZDCISA-N	248.410	4.718	0	10	BJAE	
CCCN[C@@H](CCC)c1cccc(C2(C)CC2)c1	2028552566	QKZXBBCCWJOTIJ-INIZCTEOSA-N	245.410	4.579	0	10	BJAE	
O[C@]1(C[C@@H]2CC=CCC2)CCCCC12CCCC2	2028873889	IAEXNRLLBQZRKD-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@H]1CC1(C)C	2028896843	HADGSMDXUANEQF-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1NCC1CCC=CCC1	2028900932	USDLPYUUDUKAFK-UHFFFAOYSA-N	243.394	4.797	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](N)(CCCC2CCC2)C1	2030285864	BMAQBAGQDPYOJM-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@H]2C=CCCC2)CC1	2030347685	YWZICCCXXHMGJO-OWCLPIDISA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@@]1(C)C=CCCC1	2030350689	BZDLVKCXARYBSX-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
O[C@H](C1=CCCCCC1)[C@]12CCCC[C@H]1CCC2	2031749751	LNWSRNVITAEZHX-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(CC2(N)CCC3(CC2)CC3)C[C@@H](C)C1	2031817989	OZMLQLKDDOQILL-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@@H](NC)C(C)(C)C1CCCCC1	2032345179	AKZGQCQRXANDBZ-MRXNPFEDSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CC[C@H](NC2(C3CCCC3)CCC2)C[C@H]1C	2033048864	POVYXQQDXGINIT-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNC(C)(C)C2CCCC2)C1	2033145936	ZZLWYHBWLIXFTQ-UKRRQHHQSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1CCCC2(CCCC2)C1	2034363806	OVGZTXFEQIHEAO-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCc1occ(C)c1[C@H](CCC(C)=C(C)C)NC	2035535373	WPSLUKDYWZJUCS-AWEZNQCLSA-N	249.398	4.547	0	10	BJAE	
C[C@@H]1CCC[C@]1(CNC(C)(C)C)C[C@@H]1C=CCC1	2035588289	NRRJSNYDWOTKPW-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@@H](C)c1ccccc1	2036948467	BIRRRJVGTKOXGG-WBVHZDCISA-N	247.426	4.739	0	10	BJAE	
C[C@H]1C[C@H]1c1ccc([C@@H](N)CCCC(C)(C)C)o1	2037106129	ZEHVNMCVMBZWPQ-XQQFMLRXSA-N	249.398	4.619	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1ccc([C@H]2C[C@@H]2C)o1	2037137309	PMWYZHSZWWURON-AVGNSLFASA-N	249.398	4.619	0	10	BJAE	
CCC1CCC(N)([C@H]2CCC3(CCCC3)C2)CC1	2037590800	ZDUAYLDNTGXTDS-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CNC[C@]1([C@@H]2CCC(C)(C)C2)CCC=CCCC1	2037684870	CFFDCYVFEPYWJC-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC(C)(CC[C@H]1CNC2(CCCCC2)C1)C1CC1	2037721249	OHTOQTLGRZDCNC-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@H]1C[C@H](CC2CCC=CCC2)CCC1(C)C	2037863257	LLTLKCZOYXGJSB-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2[nH]c([C@H](C)C3CCCC3)nc21	2038001040	XHOUVQRHOMSAQS-IJLUTSLNSA-N	246.398	4.704	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@@H]1CC12CCCCC2	2039000070	PFOLQYFUTYMCNE-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NC[C@H]1C=CCC1)C1CCC(C)(C)CC1	2040682722	DSPROGWGZHBPIR-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]1C[C@@]1(N)CCCC2(CCCCC2)C1	2040764471	COZVEWJXTWGDOA-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H]2C=CCCCCC2)CC1	2041532122	FUJLWTCISLDTLQ-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NC[C@H]1CC12CCCCC2	2041737035	RGZMLZZEURWTBB-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]([C@H]1CCC(C)(C)C1)C1(C)CC=CC1	2042023859	GDDNXXVAMZJFMP-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC=Cc1ccccc1)CCC1CCC1	2042745781	YVYAAIUOUBCBKC-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
CCCN[C@@H](C1CC2(CC2)C1)C1(CCC)CCC1	2045813848	UGYPYAOUTYAZMB-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN(c1cccc(C)c1)[C@@H]1CCCC(C)(C)C1	2046571484	UHLBQCARYYLVEB-MRXNPFEDSA-N	245.410	4.790	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)C[C@@H]1CC12CCCC2	2047060316	WRMQMIFMUFLCMZ-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CC(C(=O)C2CC3(CCCCC3)C2)C1	2048623270	FTCQWPQZHIQPAB-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C1CCCC1)N(C)[C@H]1CCC2(CCCC2)C1	2049430675	JPFNQYZMZXXFII-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
C=CC=CCC[C@](C)(N)C1CCC(CCC)CC1	2049487547	XYQJXLYGGCALNP-JCYILVPMSA-N	249.442	4.833	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@@H]2CCC3(CC3)C2)CC1	2049848364	IPHDJHMTPWFLEJ-GRAKBVBRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049862494	WKZRMVGODVAZQJ-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@@H]2CCCC3(CC3)C2)C1	2049936983	ZBULQXDLBHNHKY-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2CCC3(CC3)C2)CC1	2049938652	SSAJSTIPMAWNKZ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)[C@@]1(C)C=CCC1	2050001520	YSVBLSAYDYZIEU-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C[C@@H](N)[C@@H]2CCCCC23CCC3)C1	2053416271	QBSWDNVNESRJJT-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccncc1N[C@@H]1CCC[C@H](C)CC1	2053852907	CJUSNKZHUIMQGB-UONOGXRCSA-N	246.398	4.586	0	10	BJAE	
F[C@H]1CCCC[C@@H]1Nc1ccc2ccccc2c1	2055158563	HCQGSLIHEFIZMU-HOTGVXAUSA-N	243.325	4.532	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@H]1C=CCCC1(C)C	2055523482	ANGBJZKGSBSEPS-KFWWJZLASA-N	249.442	4.536	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCCC[C@H]2C(C)(C)C)CCC1	2055551035	WAUZUCQXWZSYQS-BZUAXINKSA-N	249.442	4.680	0	10	BJAE	
CN[C@H](C1=CC[C@H](C(C)(C)C)CC1)C1(C)CCC1	2061081186	MVNVGMHWOWPMKT-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)C1CC(=C2CC2)C1	2061648139	VKIGROXAEMRTBY-CXAGYDPISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](CC2CC(=C3CCC3)C2)C1	2061702231	QPSCKDJMVVLMHI-QWHCGFSZSA-N	246.394	4.662	0	10	BJAE	
CCCC[C@@H](CCC)NCC1CC(=C2CCC2)C1	2061723771	UTSKPLBYTFGIMM-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H]1C[C@H](C[C@H]2CC=CCC2)CC(C)(C)C1	2063638431	PPRBTUMZMKVDHY-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CC23CCC(CC2)CC3)C1	2065326611	DZFMQRQLRCCIFS-RDHHWEPZSA-N	249.442	4.502	0	10	BJAE	
CC1([C@@](C)(N)CC2C[C@@H]3CCC[C@H]3C2)CCCC1	2067530209	ONUSDRGCUKPCBO-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)c2cccc(C)c2C)CCC1	2069267502	BYLINIQVRRYPSJ-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
C1=CCCC(CN2CCC23CCCCCC3)CC1	2070391748	ARQTUIUNMCKFLP-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
Cc1ccc(NCC2(C(C)(C)C)CCC2)cc1C	2071950040	MQQWHRRPJQOUEK-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@@H]2CCCC23CC3)CC1	2072796593	PVHJBFIBHJBYBC-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCC[C@H]3CC[C@@H]32)CC1	2072801658	PTIHNAJTWOESTM-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(C)c(OC)c1C	2072833708	VGVBVWKSPBEDMU-CYBMUJFWSA-N	249.398	4.549	0	10	BJAE	
Cc1oc(C)c(C(=O)C[C@H]2CC[C@H](C)CC2)c1C	2072870295	AKUMXWQPKCLRNX-YPFXGUDJSA-N	248.366	4.604	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@]23CCCC[C@H]2C3)CCC1	2074021169	PEQLISYAZVGFJQ-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC(=C2CCNC3(CCCC3)C2)C1	2074139168	PLAQZDXNFAMFQH-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCCC1(C[C@@H]2[C@@H](CN)CCCC23CCC3)CC1	2074629509	POQSJTLRQMGQQL-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H]2CC23CCCCC3)CC1	2074648404	IGYXQDUCANDICF-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CC(N(C)[C@@H]2C=CCCCCC2)C1	2074798519	BKXJICWZOUEUFW-OAHLLOKOSA-N	249.442	4.776	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H]2C[C@@H]2C2CCCCC2)N1	2079665241	JXVBPNSNEUJPHE-YLFCFFPRSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC[C@@H]1CCc2ccccc2N1	2079668866	CXMQNBWWTHJTJS-PMPSAXMXSA-N	243.394	4.630	0	10	BJAE	
CC1(CCC[C@@H](N)[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079837801	CKINMTZAITWVAL-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)[C@@H]1CCCC2(CC2)C1	2079864868	NHRGAOZHFFLEFE-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(C[C@@H]1C[C@H]1C1CCCC1)C1CCCCC1	2079868988	AXRZYRJSJUAKPP-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@](CC=C2CCC2)(CNC(C)(C)C)C1	2081681903	ITJHHHRJTMJMJU-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@]23CCCC[C@@H]2C3)C1	2082986535	MXOVFMBNUYQRQP-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCCCCNC1C2(CCC2)C12CCC2	2083554157	XOLHHEUNBGBJMY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@](N)(C[C@@H]2CCCC3(CC3)C2)C1(C)C	2084339903	DEHOAOAMZMBONY-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CC(C)(C)CC3(CC3)C2)C1	2085262157	XJHXZVNXAAUJRT-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C1(C)CCC(C)CC1	2215332489	NQIXINLELKAYGD-MYMJJRTCSA-N	236.399	4.598	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)C)CC=C(C)CC1	2215839861	YCNMWZWDGDSRSY-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCCCCCC2CC2)N1	2216860303	AFZJCTLKEZWTLM-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
CC[C@H](C)NC[C@@H](C[C@@H](C)C(C)(C)C)C(C)C	2217145027	LGXIUXRZGRAYLM-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CC[C@](O)(c1ccc(CC(C)C)cc1)C(C)(C)C	2218648162	IYZBPNLIYBVSFP-KRWDZBQOSA-N	248.410	4.529	0	10	BJAE	
CN(CCCCCCC1CC1)[C@H]1CCC12CCC2	2218732120	NZPBAKHCWYIURB-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C(CCCN1CCCC12CCCC2)CCC1CC1	2218732239	ODTDFYUCFHSSAK-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@@H]1CC[C@H]1C	2220557466	HIBLPZFPNMTGRL-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2(C)CC3(CCC3)C2)C1	2221003383	MQHREAZGAVOHMV-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)CCC2CCCCC2)CC1	2221628706	DAWMEGYTXCBJKZ-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@@H]1C)[C@@]1(C)CC=C(C)CC1	2221630127	GXHMIYDWYKLWBB-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)C1CC2(CC2)C1	2223129731	FZZIYHLGIIDGFF-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)NC[C@]1(C[C@@H]2CCC[C@@H]2C)C=CCC1	2223588144	GIRQDLPEAWBWMD-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc([C@H](O)C(C)(C)CC)s1	2242605210	RTEXKWXEPHDWCI-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1(CCC)CCC1	2244783746	RIGDHYHMUIDSDG-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CC)[C@H](C)CC[C@@H]1CCC[C@@H](C)C1	2246656141	JKRZGMZAAFZPQM-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](N)CC[C@@H]1CCC[C@H](C)C1	2246659432	ILDHJFZGEPFFOR-CWRNSKLLSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](N)CC[C@@H]1CCC[C@H](C)C1	2246732761	NPSGIQZXFNLCPA-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C1(C)CCCCC1	2247176973	SXHLASNYBDYARD-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CCC1(C)C)C1CCCC1	2247436341	WZXUSNZOANBPFZ-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@]1(CC2=CCCCC2)CCCCCN1	2247501917	SXFOWIPTRWUOKE-INIZCTEOSA-N	235.415	4.579	0	10	BJAE	
CNCCC[C@@H](C)CC[C@@H](C)CCCC(C)C	2250468555	FGODTEXIPZGLNQ-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CC1=CC[C@H](CC[C@@H](C)CCCC(C)C)[C@@H]1O	2250487188	YDQXTVRMDFDSJC-CWRNSKLLSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(CN)CC(C)C1	2250517998	QRKIGAFFJHDUHL-FHERZECASA-N	239.447	4.604	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@@]12CCC[C@@H]1CC2	2251163330	PVVKXMNZKSJMFP-WBMJQRKESA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)CC(=O)CC1CC(CC(C)(C)C)C1	2251582768	OWNWQYXGCFWZQE-HSBZDZAISA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](C)C[C@H]1C(=O)C(C)(C)CCC1(C)C	2251713118	QTZQMOQSNRIDSP-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1ccc2ccsc2c1	2253130893	VZZWBPHGQUIBAK-GWCFXTLKSA-N	244.359	4.520	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCCCC12CC2)[C@@H]1C[C@@H]1C	2253847823	BPTIEPPRXCHUAN-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(N)CC1=CCCCC1	2255097885	XOXMLOUHLNVYIT-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)[C@](O)(CC[C@@H]2CCCC23CC3)CCC1	2255319293	CPUGXKWKGNCGRJ-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCC[C@@H](C)[C@H]1C	2256145250	VTRPQGRXSWPRKY-LALPHHSUSA-N	249.373	4.625	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@]12CCCC[C@@H]1CC2	2260570480	PMVZTHXQHOQXSJ-PNBKFKSVSA-N	248.410	4.742	0	10	BJAE	
CC1CCC([C@@H](N)C[C@]23CCCC[C@@H]2CC3)CC1	2260608502	CNEFLIIRSRKGCN-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(CN)(C[C@]23CCCC[C@H]2CC3)CC1	2260679021	OWGUSTJBYCKWMJ-ODZFXCKXSA-N	249.442	4.502	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)C[C@@H]1C[C@H]1C	2298648210	AETRLMOUIKSJKL-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C1CCCCC1	2300682786	CFMGYWASENGJNO-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C1(C)CCCC1	2300684348	STICVXMDGWOXJM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](C)[C@H](C)C(C)C	2301701564	QHVZUGCLXSTFIE-OAGGEKHMSA-N	241.463	4.815	0	10	BJAE	
C[C@H]1CCCC[C@@H]1c1nc(CCC2CC2)cs1	2302266637	DKHSFGQGTPDUNM-FZMZJTMJSA-N	249.423	4.779	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)c1ccsc1	2302362292	XNVDSUNEFQRCBF-HNNXBMFYSA-N	249.423	4.679	0	10	BJAE	
CCC(C)(CC)CN(C)C[C@H]1CCC(C)(C)C1	2302745394	KUBPEEOCBVKWHZ-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](C)CN(C)CC[C@@H]1CCC(C)(C)C1	2304395193	ZEBWBKJUFJKJLE-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CC[C@@](O)(CC[C@H]2CCC(C)(C)C2)C1	2304399628	OKEQUFAQSFAHDC-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CC[C@@H]2CCC(C)(C)C2)C1	2304433346	BBQRICWXCMSBBH-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CC1(O)CC(C2CCCC2)C1	2307841012	HRWHBTCRHYWEMM-JEYLPNPQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CNCC)CCC1(C)C	2307899936	SKUQHPAYBACVTE-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H]1C2	2308583589	MSLFRXXHZDXZQW-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@H](N[C@@H]2C[C@H]2C2CCC2)CC1	2311509713	ICBLIDPWEFRKHB-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)[C@@]23CCC[C@@H]2CC3)C1	2313296013	SYPJUYGOOVNKEG-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C1CC2(C1)CC(C)(C)C2	2313606773	VYYGYZKBXIMPLM-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CC(=CCOc1ccccc1O)CCCC(C)C	2316497886	WQWGVTPOINRSAN-UHFFFAOYSA-N	248.366	4.544	0	10	BJAE	
CC(=CC[C@H](N)C1C[C@H]2C[C@@H]2C1)CCCC(C)C	2316508199	IVIAIVGWGJLMQH-INMHGKMJSA-N	249.442	4.523	0	10	BJAE	
CCC(CC)(CC)NC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317209562	SLEJDSJVIKIROM-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cc(C)c(OC)c(C)c1	2317366599	PMEBBLUKPKPFAR-CYBMUJFWSA-N	249.398	4.549	0	10	BJAE	
CC(C)C[C@@]1(CCCC2=CCCCC2)CCCN1	2318559746	CIPAFJNESKVHLE-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@@]1(CC[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCCN1	2318947647	WSAVPNCIVXVURP-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC[C@H](O)c1ccccc1	2320244764	VBFMPXBKRXVBNZ-BMFZPTHFSA-N	246.394	4.573	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](C[C@@H]1CCC(C)=C(C)C1)NC	2320326933	IWNGOVSDWMCIBW-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CC2C[C@H]3C[C@@H]3C2)CC1	2320410900	GZCPJUJNNIGZIF-KBMXLJTQSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1cccc([C@H](N)CC(C)(C)C(C)C)c1	2320514432	GTCVUIORSBNORH-MRXNPFEDSA-N	247.426	4.882	0	10	BJAE	
CC[C@](N)(c1cc(C)ccc1C(C)C)C(C)(C)C	2327677438	JHCBCMYCOHZOGZ-KRWDZBQOSA-N	247.426	4.729	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cccnc1C(C)C	2328212927	LHAMSOHFHXRJBR-CYBMUJFWSA-N	247.382	4.604	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)c1ccc(C)c(C)c1	2328282019	LWSNMPFBBAAFSK-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)c1ccco1	19907250	CDDQERIOIZLVNH-GFCCVEGCSA-N	229.323	4.576	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cccc(C)c1	21012692	YVNPFVYXCAQJDV-TZMCWYRMSA-N	219.372	4.622	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1C[C@H](C)CC(C)(C)C1	21013900	BDHSLVJXVOLBEC-SMDDNHRTSA-N	249.373	4.761	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1F)c1ccccc1	35019082	YQVWKPJGSJOEFI-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)c1ccc(C)cc1C	35468105	HNCCXEUYXNAYOT-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CCCCCc1ccc(NCc2ccoc2)cc1	63046738	KCLFKBRJKCZXBG-UHFFFAOYSA-N	243.350	4.624	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCCC[C@@H]1CC	71161089	JYYZPQZUBUYJMT-HOCLYGCPSA-N	245.410	4.938	0	10	BJAE	
CCC[C@H](C)CCC[C@@H](NC)c1ccccc1	80424114	NCHWMKRWQYRQJJ-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CC[C@H](C)C[C@@H]2C)c1	85085483	HRAUNXJMAZGGAT-CQDKDKBSSA-N	231.383	4.540	0	10	BJAE	
CCCCC[C@@](C)(O)C1CCC(CC)CC1	87649040	ZQNAXALAADCZSS-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](CCC)c1cc2cc(C)ccc2o1	88073805	PXNWPQUSPQCCSA-AWEZNQCLSA-N	245.366	4.582	0	10	BJAE	
CCCc1ccc(NC[C@H]2CCC[C@H](C)C2)cc1	89604993	PMGQOQWGTGDLCL-HOCLYGCPSA-N	245.410	4.877	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)c1ccccc1	94678404	ADHFPPARZFTUDF-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
C=Cc1c(F)cccc1O[C@H](C)c1ccccc1	94722763	CSLNLBBHTSIXFG-GFCCVEGCSA-N	242.293	4.609	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)(C)C)C1=CCCC1	104434099	XLJSSEDQFIXVSQ-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C1CCC(N)(CC2CCCC2)CC1	109702874	IHSIFKBADHIFEB-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)C2CCCC2)c1	109761339	BIAUZOMQYYEMEU-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
CCCCC[C@@H](O)c1ccc([C@@H](C)CC)cc1	109785593	HVENFZIQALEFGF-XJKSGUPXSA-N	234.383	4.814	0	10	BJAE	
CCCCc1ccc([C@@H](C)NC[C@H](C)CC)cc1	109955132	DFVPRWQVFKIUMA-HUUCEWRRSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@H](CC)CNc1cccc(C)c1C	110159190	AAXSQUDOGOVDNY-HNNXBMFYSA-N	233.399	4.932	0	10	BJAE	
CCN[C@H](CCC(C)C)c1coc2ccccc12	135412354	CQTGSLDJXNGBJE-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CC[C@H](C)COc1ccc([C@@H](C)CC)cc1	142481719	OMQJMULWEKFPCC-STQMWFEESA-N	220.356	4.625	0	10	BJAE	
CC[C@@H](C)COc1ccc([C@H](C)CC)cc1	142481920	OMQJMULWEKFPCC-CHWSQXEVSA-N	220.356	4.625	0	10	BJAE	
CCNC[C@@H](CC(CC)CC)c1ccc(C)cc1	149151123	OADPLKOFZCONRV-QGZVFWFLSA-N	247.426	4.514	0	10	BJAE	
CC[C@@H](C)C[C@@H]1CCCC[C@@H]1CNC(C)(C)C	155672191	URNNNZULUSXFSK-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)c1cccc(C)c1	160147429	DPURSDYFENIAQX-GDBMZVCRSA-N	233.399	4.614	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)c1ccccc1	166182083	ZGECATIQCQBEOG-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
CCC1CCC(C(=O)CCC2CCCC2)CC1	166198002	FQOSKHOVDYZRBA-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@H](N)c1cc(C)c(C)cc1C	168678338	HNYGQXOCFCVYKV-INIZCTEOSA-N	233.399	4.582	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)c1cc(C)c(C)cc1C	168702051	BIBMJUNVFIDXJW-PXAZEXFGSA-N	247.426	4.699	0	10	BJAE	
CCCC(CCC)C(=O)c1ccc(C)c(C)c1	211831151	LQSUFGSZPRBHAU-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CSc1ccccc1N[C@H]1C[C@@H](C)CC[C@@H]1C	221824225	NLEFBWQSHPWEBR-OBJOEFQTSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@@H](CCC)NCCC1CCCCC1	225993316	DTIOFYZZJBNFEB-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)CC2CCC2)c1	229671429	HIMHJZWABKLVAP-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
CCCCC1CCC([C@H](C=C(C)C)NC)CC1	229744494	BBASCQQNTWYYFO-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
C/C(=C\Cl)COc1cc(C(C)C)ccc1C	232012224	MCRPFTKQIFEIJK-DHZHZOJOSA-N	238.758	4.640	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](O)(CCC2CC2)CC1	232500340	FHDLQCYXOBVQII-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCCC(C)(C)C	300857409	LTVINOHCXHXDSZ-KBPBESRZSA-N	227.436	4.747	0	10	BJAE	
CCCN[C@H](C)CCC1CCCCCCC1	300865040	ONCBFTSICAUAFK-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCc1cc(NC2[C@H](C)CCC[C@H]2C)ccc1C	302319372	PONKEAUYIXZABW-ZIAGYGMSSA-N	245.410	4.794	0	10	BJAE	
CCc1ccc(Cl)c2sc(SC)cc12	306610796	LDSUJQNOKBSGKQ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@H]1NCC(C)(C)C1=CCCC1	308758265	RDQQYQWDTMRIMU-DZGCQCFKSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1CCC[C@@H](C)C1	309454760	PIWMJDIJBACJJX-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
Clc1cccc(N[C@H]2CCc3ccsc32)c1	309663500	ZIBYTTPZRRYURA-LBPRGKRZSA-N	249.766	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](n2ccc3c(F)cccc32)C1	309994201	KODKMQLKJNEFER-RYUDHWBXSA-N	231.314	4.532	0	10	BJAE	
CC(C)CNCC/C=C\CCC1CCCCC1	310060223	LKEOTSLIJJYGFH-ARJAWSKDSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC)CCC1CCCCC1	310069506	SQOBWJKGMPODRN-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H](C)C2CCCCC2)o1	311113871	XHVLULUTWJVUST-GFCCVEGCSA-N	248.366	4.631	0	10	BJAE	
CCN[C@H]([C@H](C)[C@H](C)CC)C(C)(C)C(C)(C)C	319500706	GIGWFKIEKTXGRA-MGPQQGTHSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1CCCC12CCCC2	327999050	NJZMNCIKOVPOCN-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
C1=C[C@@H](NC2CCCCCCC2)CCCCC1	379817617	RTFSHJNOMUHFIH-OAHLLOKOSA-N	235.415	4.578	0	10	BJAE	
CCC1(COc2ccc(C(C)C)cc2)CCC1	379823991	UFFQPPJZKKSPRY-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
C[C@@H](Nc1c(Cl)cccc1Cl)C1CCC1	382086661	KCPQDNRVVXBSNZ-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
CCN[C@H]1CCCC[C@H]1CCCCCC(C)C	383394669	PWXROJDCRKWILI-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccccc1N[C@H]1C=CCCCCC1	385048505	MUKURZZTQINXEV-INIZCTEOSA-N	243.394	4.940	0	10	BJAE	
CSCc1ccc(-c2ccccc2C)cc1	390365038	TWHSYHKBJCFLLA-UHFFFAOYSA-N	228.360	4.525	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1cccc(C)c1C	395137238	WAWNPIULMDSUGP-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CSc1sc2c(C(F)F)cccc2c1F	396255396	UVWUANDFSGTAAE-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1ccc([C@@H](CC)NCCC=C(C)C)cc1	397756991	IIJYYLZPKTYJEG-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CCN[C@@H](c1cc(C)ccc1C)[C@@H](C)C(C)(C)C	399149085	FKZBHGJWUQZUJZ-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
Fc1ccc(Cl)c(CCC2=CCCC2)c1	401164472	QQRZESGQKJTHDU-UHFFFAOYSA-N	224.706	4.522	0	10	BJAE	
CCNC/C(=C\C1(CC)CCC1)C1CCCCC1	686138935	RHMBLIQFFGPRFP-DTQAZKPQSA-N	249.442	4.683	0	10	BJAE	
Cc1cc(O)c(C)c(-c2ccc(C)c(Cl)c2)c1	686556408	RZTHXWSQPLNLPY-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1cccc(C(C)C)c1	688925952	HWRJHOGEPQUNMW-CZUORRHYSA-N	234.383	4.526	0	10	BJAE	
CCC(F)(F)C(C)(C)C[C@H](N)CCC(C)(C)C	691039327	JZXRAQUEXXECOW-LLVKDONJSA-N	249.389	4.602	0	10	BJAE	
CC(C)c1ccccc1[C@]1(O)CCCCC[C@@H]1C	691039657	PUWFYKOIERCYAR-YOEHRIQHSA-N	246.394	4.598	0	10	BJAE	
CC(C)CC(C)(C)CN[C@H]1CCCCC[C@H]1C	691048422	RQWKSIGLWPFPJS-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H](C)c1ccccc1	691134582	KNQGTSUGQFAAMI-BFYDXBDKSA-N	245.410	4.696	0	10	BJAE	
FC(F)(F)c1ccccc1CCC1CC=CC1	692121885	ZAGCQVTWLZXXGK-UHFFFAOYSA-N	240.268	4.604	0	10	BJAE	
CCC[C@@H](C1CCCC1)[C@H](CC(C)C)NCC	695104007	XKZQVGNODYUSDI-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCCC[C@@H]2C2CC2)c1	696104303	LFPBTZZYDOOQDY-HZPDHXFCSA-N	243.394	4.684	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCCC[C@@H]1C1CC1	696144618	NFLNYXJKDXACKC-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](CCC1CCCCC1)NC	696249544	NBVVNDAICBTYTN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)c1ccc(C)s1	696648424	YPBGESYRCAMKCA-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccccc1C(C)C	696659012	LLGGIMOHHHXIRJ-HNNXBMFYSA-N	234.383	4.670	0	10	BJAE	
CCC(C)(C)CC[C@]1(CNC)CCC[C@@H](C)C1	696799639	MNLWKRWHPQQRJM-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)C1(O)CCC2(CCCC2)CC1	701114613	GCCCKEHCSFTMQM-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NC)C(C)(CC)CC	701197429	HZVREZGOODPMIZ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(C)cc1Cl	704499935	GFNSNVXEQHAZDF-LLVKDONJSA-N	238.758	4.657	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@@H]1CCCC12CC2	706219527	ZYOXALMKTVWJNM-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H](C)CC(C)(C)C	709126583	JQZFLIKAGXMUHD-HIFRSBDPSA-N	241.463	4.993	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)C1CCC(C)CC1	709202176	WIJKEGGICQZWPO-BHDPWAOGSA-N	238.415	4.534	0	10	BJAE	
CCOc1ccc(NC[C@@H](C)CC(C)(C)C)cc1	709212792	LFHKZKKDLWSAGB-ZDUSSCGKSA-N	249.398	4.570	0	10	BJAE	
C[C@@H](CNC(C)(C)c1ccccc1)CC(C)(C)C	709217924	VCLZQEFWLCTUOH-CQSZACIVSA-N	247.426	4.584	0	10	BJAE	
CN[C@H](c1ccccc1)[C@@H](C)C[C@@H](C)C(C)(C)C	710759159	DVUDANFZVHRQJD-LZWOXQAQSA-N	247.426	4.656	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CC(C)(C)CC[C@H]1C	713008316	JZTPJSQTMHWOKC-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CC(C)(C)CC[C@H]1C	713063361	FCZVNUKRTXQMIC-ABAIWWIYSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)CC(C)(C)C(C)C	713247468	QQUOFFXPGRJDIL-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714441510	XYZZNXGAWFFCPI-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)CCC1CCCCC1	718591902	DXRGGKVSCRHFRL-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCC[C@@](O)(CCC(C)=C(C)C)c1ccccc1	718691991	NZBCOBQPTOSKIS-QGZVFWFLSA-N	246.394	4.811	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C(C)(CC)CC	721648498	IVMYMBLDMZQTTF-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](NC)C(C)(CC)CC	721663755	OREPJDOXEPHJFW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H](CC2CC(C)(C)C2)Nc2ccccc21	723545192	YUFWGSGBZNEIKM-TZMCWYRMSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H](C)S[C@@H](C)c1ccc(Cl)cc1	1559366050	HGBDMNAQQDXRTP-ZJUUUORDSA-N	228.788	4.933	0	10	BJAE	
CCCN[C@@H](CCCC=C(C)CC)C(C)C	1900901076	QVSIEODIOHECAU-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
Clc1ccc(C2CC2)cc1C[C@H]1C=CCC1	1901195073	UGPKRWPPQCCTGH-NSHDSACASA-N	232.754	4.726	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H](C)[C@H](C)C(C)C	1901626285	OTWZOZOLEIDKGS-RBSFLKMASA-N	227.436	4.602	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1c(F)cccc1Cl	1901627223	SJHONGMBQRIGCX-UWVGGRQHSA-N	243.753	4.572	0	10	BJAE	
CCC[C@H](CC)CC(=O)CC[C@@H]1CC1(C)C	1905433989	IWGUIRPQAPXGFI-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](CCC[C@@H]1C[C@@H]1C)NCC	1908583495	QDIGRSJMTAXHLD-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)c1cccc2sccc12	1910144093	TZSGFWFQNMGUPG-GHMZBOCLSA-N	244.359	4.520	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C2CC3(CCCCC3)C2)C1	1912644932	IGBQDZKJMWBCNU-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NC[C@]1(C2CCCCC2)C=CCCC1	1916569032	NZXOCNORXPRVFC-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)[C@@H]2CCCC23CCC3)C1	1921586566	OQKAXSLJLQIWNF-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)CCCC1CCC1	1924102156	XTAWDYSKBIJSRU-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
O[C@@]1(C[C@@H]2C=CCCCC2)CCC2(CCCC2)C1	1925932126	DSCXSTRHAKPQBU-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H](CC(C)C)C(C)C	1936206853	LEOVQKHMZFWPPN-ZDUSSCGKSA-N	226.404	4.700	0	10	BJAE	
CCCCCC[C@H](NC)[C@H](C)CCC(C)C	1937163691	XHJKTMONSRAGQD-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CCC[C@](CN)(CC2(C)CCCCC2)C1	1940402055	WZDKCXRNMKEFMH-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)CC1(C)CCCCC1	1940406584	MRIMXFZIODGVHM-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1CC(C)C1)NCCC	1940682365	KASLKKGKGPFQBI-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H](C)CCC	1940936098	SAJBXYXZIBERAX-CYBMUJFWSA-N	232.367	4.648	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CCC(C)=C(C)C)NC	1941267287	PYQQGVROUDLHKS-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@H](CC)C(C)C	1941268143	BJUIIQAPDIIIDL-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](NCC(C)(CC)CC)[C@@H]1CC1(C)C	1941360765	SDJODEMZULXIOZ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@H](CCCCCC(C)C)C1CC1	1942088177	KJSQDTONCWMXAN-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)C[C@@H](C)CC(C)(C)C	1942653781	ULMNBNOPWZXCRJ-ILXRZTDVSA-N	242.447	4.882	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)C1CCC(C)(C)CC1	1942665291	XCBKDFWPYIMZBC-DZGCQCFKSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C(C)(C)C1CCCC1	1944624225	XKVAHYJHXRANAO-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)C(C)(C)C1CCCCC1	1944666746	VGTXEUFONQCNFC-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C(C)(C)C(C)C	1944667669	FWNRWUJWLWPDTM-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)[C@H]1CCC1(C)C	1945753076	DICHSLIBOPJQKT-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc(SC)cc1	1947465579	VSUNVQMDVAECQR-SWLSCSKDSA-N	249.423	4.789	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCC[C@@H]1C(C)C	1947466890	JXASYLWSZQIFPJ-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
Cc1cc(N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)cs1	1947861143	YKQJVZTVQYVXIL-BTTYYORXSA-N	249.423	4.827	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCC(C)(F)F)NCC	1947989467	YYAHKQWWQUGQGU-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC1([C@H](N)CC2CCCCC2)CCCCCC1	1948980964	HOMAPGLZMSTFEP-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CC(C)(C)C(C)C)C1	1949004387	YAYNELWPVSFVNP-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(N(C)CC2CCC(C)CC2)c(C)c1	1963052784	RJCUBIMOQZJCSI-UHFFFAOYSA-N	245.410	4.566	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](CC)C[C@H](C)CC	1963228748	KYCIXEGCVTXPQG-ILXRZTDVSA-N	227.436	4.760	0	10	BJAE	
Cc1ccc(NCC2[C@@H]3CCCCC[C@@H]23)c(C)c1	1968255547	YTWJXQJMWAFZDC-HUUCEWRRSA-N	243.394	4.542	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CCC[C@@H](C)C2)cc1C	1968307018	CGCZGELNHNDMHZ-CJNGLKHVSA-N	246.394	4.899	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1cccc(C2CC2)n1	1968309133	KAHSLMWGSGAGSI-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
CCc1ccc(NCC2CCC3(CC2)CC3)cc1	1968314467	WHRFRWKPZCMDEL-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
CC[C@@H](C)c1csc(-c2ccc(C)cc2C)n1	1968436477	SAMWODYMISSQNB-LLVKDONJSA-N	245.391	4.940	0	10	BJAE	
Cc1cccc(F)c1NC[C@@H]1CCCC2(CC2)C1	1969466296	ACPHMEHXFJEOHR-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1C[C@@H]1C1CCCC1	1973328496	ZBDLMFJSYSCMHY-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCCCCC[C@@H]1O	1980350688	IKKIPNLFZWUSMT-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H](CCCCCC(C)C)N1	1987090493	PJWCPTWUDUZMKV-LSDHHAIUSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)C[C@H](C)C(C)C	1988300097	OWARWLWNFTVQAK-JTQLQIEISA-N	238.758	4.513	0	10	BJAE	
CC[C@@H](C)CC(=O)CC1(C(C)(C)C)CCC1	1989452061	SMNPMKXDYFMERZ-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1cc(C)c(C)s1	1989984366	NSGURKXNXGQWLM-JSGCOSHPSA-N	240.412	4.615	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC(CC)CC	1990122937	DPEJEWPSGANBQM-OAHLLOKOSA-N	227.436	4.713	0	10	BJAE	
CCC[C@@](O)(CC)C[C@@H]1CCCC(C)(C)C1	1994034160	OULIULHKOQVHJC-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
Cc1cccc(C(=O)[C@H](C)C(C)(C)C)c1Cl	1994173566	VKAUGTFPEJWNCT-JTQLQIEISA-N	238.758	4.513	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@H](C)[C@H](C)CC	1995260813	YVOLCLNIMNWOKV-YJNKXOJESA-N	228.420	4.636	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCC2CCC2)CC1	1997104911	LCLYILMJLXDGSM-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@]1(C)CC=CCC1	1997546409	LTBNNUOIDPWOFP-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@@]1(C)CC=CCC1	1997582691	FVJBDQVLCVHBDR-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
C[C@@]1(C(=O)CCC2CCCCC2)CC=CCC1	1997606540	LHBRSWCAIFRPPD-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
CN[C@@H](C[C@H]1CCC=CCCC1)c1ccsc1	1999992028	TVTDLICYHFPMLS-ZFWWWQNUSA-N	249.423	4.535	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@@H]1CCC=CCCC1	1999992199	FJKQNWCFEAFKFN-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@]2(C)CC=CCC2)C1	2000094314	NIODNKUHYALCSS-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC[C@@H]2CC2(C)C)C1	2000103893	AVWXSVZEIKYLGA-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCCCN(C[C@@H](CC)CC(F)F)C(C)C	2000902740	KOWFPTVAIDTLFH-ZDUSSCGKSA-N	249.389	4.568	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@H]1CC12CCCCC2	2001257477	XEVMLKNIRYSGCR-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(C2CC(CC)C2)CC1	2002344012	NIAHVMKAAXLVMS-GRAKBVBRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C(=O)C1[C@@H]2CCCCC[C@@H]12	2002779464	JDBOTXQLLHEFDG-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)[C@H]1CCCC(C)(C)C1	2002980849	ZUPYVFCEOUVOQN-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C[C@@](C)(O)[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2003015370	DIEQQVJFSZZAAF-ORIJERBGSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@@H]1CCCC2(CC2)C1	2003196132	AZKPHEKFMLENBJ-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
Cc1ccccc1[C@@H](O)CCCCC(C)(C)C	2003628152	UIAJXXOTLMYOLO-HNNXBMFYSA-N	234.383	4.635	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CCCC1(C)CC1	2007621460	CWFWCQZVJPDDNB-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](O)C1(C)CCC(C)(C)CC1	2007698911	VKIKMDCTXZIXKJ-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CC=CCCC[C@@H](N)[C@@H]1CCCC(C)(C)CC1	2009598589	PKUCDKMGSAMSRM-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1CCC[C@H](CC)CC1	2009626133	DBLKDDVGRQLRRY-OOAARUEISA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H](CCC)CC(C)C	2009628031	LUQCKNBIPVJPDM-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@H](CCC(C)(C)C)NCCC	2009636120	UKWYUTWWAWYEJL-PMGBHYCQSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](O)CC1=CC[C@H](C(C)(C)C)CC1	2010717174	GRNLLXOMHCMECT-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C(=O)CC1CC(=C2CC2)C1)C(C)C	2011069741	ZENOVJGAXITVCJ-HNNXBMFYSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)CCC[C@@H]1C[C@H](N)CC2(CCC2)C1	2012052088	ABOBWVONLRIGSZ-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@](CC)(CC1(CC)CCC1)C(C)C	2012423480	ANGGMUILAXVWCW-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CC1CC2(CCC2)C1	2013264930	RBNHHZHEYORVSV-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1CCC12CCCC2	2013271083	ONOHMDURIBPLDC-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2015225890	CDROFVVFOAGFHE-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)[C@H]1CCCC(C)(C)CC1	2015291497	SSKNOHFUDGVUPS-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
CC(C)C(CC[C@@H]1CC(=O)C[C@@H](C)C1)C(C)C	2015390200	ITZCSLPMGLUOGW-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CCCCN1CCC(C(C)C)C(C)C	2015392987	YNCQUXNUOUXMJZ-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](CNC(C)(C)C)CC(C(C)C)C(C)C	2015409897	BCBQHKULZYORKN-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CC(=O)C(C)(C)C2CCC2)CCC1	2015594906	UAIVPBZFAMXBGT-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1(CCC)CCC1)NC	2015639654	JASCMQRPFBLQLR-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CSc1ccccc1N[C@H](C)CCC=C(C)C	2016135615	GUMVKMHBYGHRLW-CYBMUJFWSA-N	249.423	4.955	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@]1(C)C[C@@H]1C)NCC	2016457486	QJIVWNXVDSBLJM-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)C1(C(C)(C)C)CCC1	2017132305	BZKLIGQZKHXHQN-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1(C(C)C)CCC1	2017137195	SXMLNHMBOCKYIE-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@](C)(N)CC1(C(C)C)CCC1	2017140037	CHOQCRKBCDKUKA-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H](C)CC(C)C)CC1	2017661131	ADCGQLHRHIVXPS-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](N)CC[C@H]1CC[C@H](CCC)CC1	2017732266	ZRGFYJKEHCCCJB-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@]12CCCC[C@H]1C2	2018618734	HNDYOLKSAPBUNB-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCCC[C@H]2CC)CC1	2018957655	RHPJAEZFINMLOJ-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)C(C)(C)CC	2018997159	AJYJDBCAYRYPHS-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)N(C)[C@@H]1CCC12CCCCC2	2019259599	ZGLRTTNDVINMCA-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CCCCCCN(C)[C@H](C)[C@H]1CCC[C@@H](C)C1	2019292409	XNLHSEPTZYHKEJ-OAGGEKHMSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)C[C@H]1CC[C@H](C)CC1	2019450148	HWDAEYXQAPPKOY-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)C1CCC1)C(C)(C)C	2019848560	FDXVPAXATUBKNZ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C=C=CCCN(CCCC)C1CCCCCC1	2020504091	LRJLXXKNQCOKMX-UHFFFAOYSA-N	235.415	4.543	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC[C@@H](N)CC1CCCCC1	2022500041	VUOZNHFBTIYFOO-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
c1sc(C2CCC3(CC2)CC3)nc1CC1CC1	2026540842	SNUYUNOQPDXSRQ-UHFFFAOYSA-N	247.407	4.533	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)c1ccc(C)c(C)c1	2027823303	WBCDKXMXEBRFPP-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC1(c2ccccc2C(=O)CC2CCCC2)CC1	2028570070	VBLDTLOUPCTXBU-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](NC)c1ccc(C2CC2)cc1	2028612901	UCSCQGTYYUMNLS-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)C1(C)CC(C)(C)C1	2029111953	MMGIYMNWQNHBBN-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(C(=O)C2(C)CC(C)(C)C2)cc1	2029112673	UWNPMMRCYGIQAS-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCN[C@H](CC1CCC1)[C@@]12CCCC[C@H]1CCC2	2031759010	MQPGMMWDLCXOIW-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC[C@@H]1C1CC1	2032700279	DLOYHILKGVXLTH-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
C(CCN[C@@H]1CC[C@H]2CCC[C@H]2C1)CCC1CC1	2033064541	PUEYNPGKOZEXQE-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CC[C@H]3CCCC[C@@H]32)C1	2034256374	IMZNCLLVLSJTRU-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC2(CCCC2)C1)C1CCC1	2034365086	UFGIDAAVZKDBIM-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2035552803	RQXGDCRRPLVRMC-KLHDSHLOSA-N	246.394	4.518	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@@H]1C[C@H]1C=CCC1	2035590308	KBHHNQQWOKEBDX-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](CC[C@H]1C[C@H]2C=C[C@H]1CC2)NCC	2036494045	HXASCBOHSVZHJC-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)CC1CC2(CC2)C1	2036757586	XTVCTFAZMPUJHF-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CN(CCCC1CCC1)[C@@H]1CCC2(CCCC2)C1	2036771052	KPPUYLWXDWJVPI-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCC(CC)C[C@H](N)[C@H](c1ccccc1)C(C)C	2037096395	CRIYIUFNIZDFET-IRXDYDNUSA-N	247.426	4.580	0	10	BJAE	
CC(C)c1ccccc1[C@H]1CCC(C)(C)C(=O)C1	2037855211	KSFOTCUJMIEOIA-ZDUSSCGKSA-N	244.378	4.673	0	10	BJAE	
CCC1(C[C@@H](NC)[C@@H]2CC23CCCCC3)CCC1	2038999189	IWJHZRQRMVEONQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H]1CCC[C@@H](C)CC1	2039364306	WRNZWPBEIDVEJA-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
Cc1cccc([C@@H](N)[C@H]2CCCC(C)(C)CC2)c1	2039378884	WWXLVHUVKYBAAO-HOCLYGCPSA-N	245.410	4.601	0	10	BJAE	
C[C@H](CCC1CC1)Nc1ccccc1C1(C)CC1	2040321075	DKHWJKISHLUYIU-CYBMUJFWSA-N	243.394	4.729	0	10	BJAE	
CC[C@@H](N[C@H]1CC=CCC1)C1CCC(C)(C)CC1	2040684648	UUBJAIVONVLFQK-JKSUJKDBSA-N	249.442	4.680	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(N)CCCC2(CCC2)C1	2041289758	LAVKVPHMPNXOBT-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](c1ccoc1)[C@H]1CCC[C@H](CC)CC1	2041380901	WKZLABYSVUPNHI-DZKIICNBSA-N	249.398	4.537	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2[C@H]3C=CC[C@H]2CC3)cc1	2042525890	HWUPGBQCXSYQHZ-YQQAZPJKSA-N	241.378	4.577	0	10	BJAE	
CC(C)(C)NCC1(C[C@@H]2CCC=CCCC2)CC1	2045323250	KWPQGVRQGXLBPT-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H](C(=O)CCC1CCC1)c1ccccc1	2045673175	CWHABFHZPFKKHR-KRWDZBQOSA-N	244.378	4.576	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1[C@H]2CCCC[C@H]21	2048364581	ZPNJGBBEKDNTOJ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CCCNC2[C@@H]3CCCCC[C@@H]23)CC1	2048386898	KLLDBECODKOIKW-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(CC(=O)[C@@]2(C)C=CCCC2)C[C@H](C)C1	2050001248	WJSWAGNVGLOFLP-CPUCHLNUSA-N	248.410	4.764	0	10	BJAE	
Cc1cccc(C(=O)CCC2(C)CCCCC2)c1	2050450670	POROKVWFKNZPDD-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)c1cccc(C)c1	2052174792	IIGOBRVJRAHQEP-HNNXBMFYSA-N	247.426	4.862	0	10	BJAE	
CC1=C(C)[C@@H](NC2C(C)(C)CCC2(C)C)CCC1	2055554097	FMCANTWSYYQUHL-AWEZNQCLSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](C=C2CCCC2)NC)CC1	2056869753	DWGANPCHOBATSK-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C[C@@H](C)C1CC1	2056880150	ZWGZZSXFWBHCBM-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1CCC[C@@H]2C[C@H]12	2057353906	MJXPZOJFBZKBIC-ZMSDIMECSA-N	246.394	4.662	0	10	BJAE	
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Cc1cc(C)c(C(=O)[C@H]2CCCC2(C)C)cc1C	226788381	FDTCCKRMNVLUEZ-OAHLLOKOSA-N	244.378	4.621	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)c2cccc(C)c2C)C1	227390791	KEMIJUHIGGRELU-YQQAZPJKSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)c1cccc(CC)c1	228851802	IHQWLPXGHAVGBX-DOTOQJQBSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H](C)CC1CCC1	229667395	AWHNIASHLXMQIQ-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CCCCC[C@H](NCCC)c1c(C)cccc1C	232963296	BVFUUYJHJNPBDV-INIZCTEOSA-N	247.426	4.924	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](CC)C1CCCCC1	233288087	OKRYWFIKJUAEJS-CABCVRRESA-N	225.420	4.514	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCC1(CC)CCCC1	233845083	XEUIDSBXAPGKHN-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2ccc3c(c2)CC[C@@H](C)N3)C1	235447078	MXCRLBWHVJHHBM-MGPQQGTHSA-N	243.394	4.727	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCCC[C@H]1CC	251588393	CPCXZMPUZSOOCK-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@H](C)C(=O)c2ccccc2)C1	252907704	WYCTYZQCGROBQE-KNCOVGOOSA-N	244.378	4.578	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)c1c(C)cccc1C	300465739	YYYNBXWHXCGTSP-INMHGKMJSA-N	245.410	4.520	0	10	BJAE	
CCCC(CCC)[C@H](N)CCC1CCCC1	300824066	ZNWHOMYARDEILZ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C[C@@H](C)CC(C)C)NCCC	300858859	GEAILVRSHMRITD-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCC[C@H](C)CC(C)C)C(C)(C)C	302364549	OBORKXHLGSENIU-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(=O)c1ccc(SCCC2CCCC2)cc1	304125618	JECPVKUPJUDETH-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCCC(C)(C)CC1	305906863	FZECTPIRHVLEDJ-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
Fc1cc(C(F)F)c2sc(Cl)cc2c1	306919014	JNVICBRVRSMTQU-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@@](C)(CNC)CC1CCC(C)(C)CC1	310471374	BLWWSGWVECCTOO-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](CCCCC1CCCC1)c1ccccc1	310609911	AVZLRVUJKRAFLA-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CCC[C@H](N[C@H](CCC)C1CCCC1)C1CC1	313420993	DJXGADUSRSEWEB-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)C[C@H](C)CC(C)C)CC1	328311370	ALUVTVSIPNSKLO-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CC3CCC2CC3)CC1	380968379	VRPLILSDAPQKDR-FJBKBRRZSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](c1ccccc1C)[C@H](C)CC(C)C	381077464	GIZKWBQTSLXZJU-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CC(C)CCCCC[C@H](O)C1CCCCC1	383168376	KLWRVJUSKCFRMG-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC1CCC(C(=O)C[C@H]2CCC[C@H](C)C2)CC1	383610657	SNFNCXMJIRRIGT-GQKFXUNGSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1ccccc1C(C)C	384056537	PCISHAPOWKMTAH-XJKSGUPXSA-N	233.399	4.636	0	10	BJAE	
CC(C)CC[C@H](N[C@H](C)CC(C)(C)C)C1CC1	384486130	ILQFIJJUADPVQE-HIFRSBDPSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](C[C@@H](C)c1ccccc1)NC(C)C	384682319	ARARTLICBWWZKY-WBVHZDCISA-N	247.426	4.737	0	10	BJAE	
C[C@H]1CCc2cc(CCC3CCCC3)ccc2N1	385315328	FIUFMPYUXVUCAY-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
CC1(C(=O)CCC2=CCCCC2)CCCCC1	385818500	RHAJRKIKKGFMGJ-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCC1([C@@H](CCC2=CCCCC2)NC)CCCC1	385904359	POYGPENIDGDOND-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CSc1sc2ccccc2c1C(F)(F)F	394698596	WLVPTOBXPKHNES-UHFFFAOYSA-N	248.294	4.642	0	10	BJAE	
CCc1c(C)cc(C(F)F)c2sccc12	396199909	NCLJNCHVRUFMLO-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)c1cscc1C	400468989	PLDVWDLKLIKFMC-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CC[C@@](O)(CCC(C)(C)C1CC1)c1ccccc1	406108500	LVTVFFXAKILPEZ-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CCCC1(CNc2cc(C)cc(F)c2)CCC1	687526219	WMLWOTGTZCFPOM-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1cccc(C(C)C)c1	688900608	QHRDBKYJLIFHFX-XJKSGUPXSA-N	233.399	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(c2cccc(C(C)C)c2)C1	688920529	KEDUECLQRRHEPJ-RHSMWYFYSA-N	245.410	4.564	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCC(C)(C)C1=CCCC1	691074072	SBGFDBJAVDBFCQ-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)C1CCC2(CC1)CC2	695625738	IRCFQDJWSMHGHQ-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CCC1CCC([C@@H](O)CCC(C)(C)CC)CC1	696571470	JTIBCWXYNZYIGR-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC(C)(C)C(C)(F)F	697098559	VTQICVPVOGKYQG-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H](C)C(F)(F)F)cc1	698749057	CCLYZLFOWFEMTC-ZJUUUORDSA-N	245.288	4.563	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H]1C[C@@H]1C(C)(C)C	699831387	IDCREYMVKUZSHP-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](c1ccc(C)c(C)c1)C(C)(CC)CC	701205642	NIMWCFAKJIPALZ-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1CC(C)(C)C1	701461946	XTHYWJGEOCXJIG-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@]2(C)CC2(C)C)cc1	702140198	DINZVWXXDMSFPI-SJCJKPOMSA-N	244.378	4.819	0	10	BJAE	
CC[C@](N)(c1ccc(C(C)C)cc1)C1CCCC1	704927094	LQIIJEVIQXJIDT-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC1(C)CCC(C)(C)C1NCC[C@@H]1CC=CCC1	706891813	KCGATVDCBRHIRQ-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H]2CCCC23CC3)CC1	706956767	NEYKBTAKOWFRSF-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)C[C@H](C)CC(C)(C)C	709129895	NPIWTYHOEMMDNJ-BFHYXJOUSA-N	238.415	4.700	0	10	BJAE	
C[C@H](Cc1cccc2c1CCCN2)CC(C)(C)C	709163271	ZIVQMMLXAHEADA-CYBMUJFWSA-N	245.410	4.660	0	10	BJAE	
CC[C@H](C[C@@H](N)C[C@H](C)CC(C)C)C(C)(C)C	711110710	HMSYDVIYLDBWBX-KFWWJZLASA-N	241.463	4.848	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)C[C@H](C)CC(C)(C)C1	711278588	KKFVVIRMQVCQII-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1ccc(OCC[C@H]2C[C@@H]2C2CC2)cc1	714778055	HVMDXUUDHGTJRJ-DOTOQJQBSA-N	244.378	4.625	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1cccc(C)c1C	718570384	BUBDRAAYJUJWFX-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)c1cc(C)oc1C	718632848	JIRDMSWNQJPKHF-INIZCTEOSA-N	249.398	4.684	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C[C@@H]1C[C@H]1CC	723147257	UXKAWIOLPMMYCO-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCN(C[C@H]1CCCC[C@H]1C)c1ccccc1C	1559640690	BNVNNZGDTPLDDZ-GDBMZVCRSA-N	245.410	4.648	0	10	BJAE	
CCC1(CC)CCCN1CC1CCC2(CC1)CC2	1660034295	QZRGCBFUUFFWSN-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CCC[C@H]1C	1896918546	QATMPJJVZYCCIW-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@@H](C)C(C)(C)C	1900584688	XEYLHKBPXQAGAX-UKRRQHHQSA-N	228.420	4.636	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCC[C@@H](C)CC1	1900712704	KLSPILYTMKXXGO-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CC[C@H](CC)C1	1905307072	QFSRSNCTOXCNLN-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1sccc1CC	1905452875	FOJZCTVTAJKVBL-DGCLKSJQSA-N	239.428	4.527	0	10	BJAE	
C[C@H]1CC(C(=O)C2CC3(CCCC3)C2)C[C@H](C)C1	1912603976	IDIDVPLQXIORSG-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@H]1CCCCCCCC[C@H]1N	1913402497	FDDLLSBCKDNLPU-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(CO)C1CCCCC1	1923913677	WDOHZEFXJUEZEB-INIZCTEOSA-N	240.431	4.782	0	10	BJAE	
CC[C@](C)(CNC(C)C)C[C@H]1C=CCCCC1	1925810402	TVMYATYDDFYHOO-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(F)(F)CCC[C@H]1C=CCCCC1	1925816908	LDVKPBIWEIZEDH-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC1CC(C)C1)NC	1927027195	OVCSCYGFRPETQV-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC[C@@H]1C=CCC1)c1ccccc1	1932593131	PHAMKDRLBGGWOZ-ZIAGYGMSSA-N	200.325	4.537	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1CCC[C@H](C)N1	1938316250	DKEXTLYMXXMUCP-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@H](CCCCC1CCC1)NCC	1939118301	CRGUTYIFUHVYBW-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CCCCC1CC1)NCCC	1939121831	FXPYYTLCXOWRGB-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC1(C)CC(C)(C(=O)CCC[C@H]2CC2(C)C)C1	1941986336	WSVBLHYOZRMGGK-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)N[C@]12CCCC[C@@H]1CCC2	1944191125	ZPYQRPVJENVOCU-XHSDSOJGSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@]1(CNC(C)(C)C)CCCC1(C)C	1944475322	KGGNNGRYGRYWKM-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)C(C)(C)C1CCCC1	1944641596	MAQIADXHZADKFK-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1CCC(C)(C)C1	1945584841	SSHAFNXWMLHBML-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCS[C@@H](C)C2)c1	1946352889	IZPDUDIATGNKNW-SWLSCSKDSA-N	249.423	4.506	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCCCC1(F)F	1947282314	LXICOYRWKBNAOZ-QWHCGFSZSA-N	247.373	4.513	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H](C)[C@@H](C)CC(C)C	1948325264	FSQABNFSEUGSQJ-STQMWFEESA-N	237.362	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)CC1CCC(C)CC1	1948328897	XBTRRVJGRABIOB-GYTBAZASSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1C[C@@H](C)C[C@@H](C)C1)NC	1948423671	TTZXCRROQLCDSW-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@@H]3C[C@@H]3C2)c(C)cc1Cl	1948812963	XTFBAOZTCFJCDJ-UPJWGTAASA-N	249.785	4.557	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@H](CCN)C1	1950493364	GXJSSXCEZQHYJI-XHSDSOJGSA-N	239.447	4.748	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2CCCCC2)CC1	1950929456	HFNJPIAIADZDLS-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)CC12CCC(CC1)C2	1950956450	ZIEKTWORPZSYOT-HLIUYOAVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C1(CC)CCC1	1951235001	NRNFLEMTUPLUAQ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](Nc1cscc1C)C1CCCCC1	1975996277	DHQMLNSFBQQKQX-CYBMUJFWSA-N	237.412	4.827	0	10	BJAE	
CC(C)c1nc([C@@H]2CCCC(C)(C)C2)cs1	1980287205	SVASPNHDEFINHZ-LLVKDONJSA-N	237.412	4.950	0	10	BJAE	
CCCC(CCC)CNCC[C@@H](C)CCC	1981289542	YIHBYFOSOSPYBQ-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CC[C@](O)(CCC(C)C)C1CCCCCC1	1986945352	YKEUYGGZXKQVIR-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)NCC(C)(CC)CC	1986948517	PAYILRJAHKDQRZ-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@H](C)CC1(O)CCCCCCCC1	1988243893	SQMGZWOMJUHWGH-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
Cc1cccc2c(C3CCCCC3)coc12	1995497881	GXQBKYBPSUGUJX-UHFFFAOYSA-N	214.308	4.789	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@H]2CC[C@@H](C)C2)CC1	1996273170	SMTHRYUQHKTCHU-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@](C)(N)C1CCC(C)(C)CC1	1996587451	XUNGYVVMINKOAQ-ZENOOKHLSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](N[C@H](C)C(C)C)C1CCC(C)(C)CC1	1996592192	AQBKFODWKLZYLW-HIFRSBDPSA-N	239.447	4.616	0	10	BJAE	
CC(C)CC[C@H](C)NC[C@H]1CCC[C@@H](C)CC1	1997118674	ZFKYGILOLSDZEG-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@]1(C)CC=CCC1	1997588657	QUSZLDNNFGWXQE-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@H]1CC[C@@]1(N)CC1(C)CCCCC1	1998743767	RRVSFLJKRDXYQC-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
O=C1CCCC[C@H](C[C@@H]2CCC=CCCC2)C1	1999982845	FLBVQIZCNPGXGC-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@@H](C)CCC[C@H]1CCC=CCCC1	1999994644	WXXWIQCZNLDBKW-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CC[C@@H](C)C1	2000188800	LZEXJZGVUXRLRJ-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1CCCCC1(F)F	2000194128	XKBGDJPFKRNDTC-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CCC[C@](C)(CCC[C@H]1CC1(C)C)CNCC	2000517669	GMGZUIZYRWXEAU-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1CC12CCCCC2	2001211655	SYBBFIRYSHZBKM-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC(C)C(C(=O)C1CC(C(C)(C)C)C1)C(C)C	2002333402	FTPQAXSRRQLONY-UHFFFAOYSA-N	238.415	4.556	0	10	BJAE	
CCCCC(=O)CC[C@@]1(C)CCCCC1(F)F	2002581818	YJUHEENRICSKMM-CYBMUJFWSA-N	246.341	4.742	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CC[C@H]1CCC(C)(C)CC	2002877694	VJTVFLXRCYAJDB-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)[C@@H](C)C1CCC(CCC)CC1	2002921981	TXDSOTAZHDSYEV-WXLSXGNJSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(N)[C@H]1CCC[C@H](C)C1	2003012477	AFLGNHPXEZGPGA-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CCCCCC1CCC([C@@H](O)CC(C)C)CC1	2003109710	XQOFBXQDIQMSEI-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@@H]1CCC(C)(C)C	2003115502	BLWWJCBVSCINHF-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@H]1CCCC2(CC2)C1	2003192539	FHNLLQRWUUNOBN-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@H]1CCC2(CC2)C1	2003228460	SVXQGMGYRDQWTG-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](CC2CCC(C)CC2)C1	2006672807	GTRHGKQLMSTTQS-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CNc1ccc(CF)cc1)CC(C)(C)C	2007031710	RNHLHWDFLLQCJA-GFCCVEGCSA-N	237.362	4.640	0	10	BJAE	
CC1(C)CCC(C)(C(=O)CC2(C)CCC2)CC1	2007682864	HCWWJJXLEMAXNX-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
N[C@H](CC=C1CCCCC1)c1cccc(Cl)c1	2007934632	MGSTZUNPRJYLKL-OAHLLOKOSA-N	249.785	4.620	0	10	BJAE	
C[C@@H](C[C@H](N)C=C1CCCCC1)CC(C)(C)C	2007938527	YQMKRFUZZDUVKB-ZFWWWQNUSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(N)CC(CC)(CC)C2)C1	2009304011	KRHXQEZRHXEAML-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC1(CCC2(N)CCC(C(C)(C)C)CC2)CC1	2009553055	WFLKCFQSORMKCC-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@]1(O)CCCCC[C@@H]1C(C)C	2009587922	HTKJBCYHVQLAAJ-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@H](O)[C@@H]1CCC[C@@H](CC)CC1	2009589375	NHTXYNKARPGSBH-OAGGEKHMSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1CC[C@@H](C)C1	2009594022	DITRGGHWZDHHJL-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](N)c1ccc(SCC)cc1	2009622245	OPHVPLOMKIJDCC-UJAVWCLSSA-N	249.423	4.545	0	10	BJAE	
CCCC[C@@H]1NCC[C@@]12CCCCCC2(C)C	2009768749	JWOZNVZRVLMMPF-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC=C([C@H](NC)C(C)(CC)CC)CC1	2010713553	DYHBXOSQEYIGST-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](O)C1=CC[C@@H](C(C)(C)C)CC1	2010724772	DJLMDXJCLPIHLW-CABCVRRESA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@](C)(O)CC1C[C@@H]2CCC[C@H]2C1	2011976466	ONDMORQMVMFJCY-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](c1nc(-c2ccccc2)cs1)C(C)C	2012413380	SKYDSWSENKQIRM-CYBMUJFWSA-N	245.391	4.960	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](CC(C(C)C)C(C)C)C1	2015380073	RNCLNYPGCWRSLK-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H](C)CC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	2015385334	DCZFUXJUJVOCBQ-IOASZLSFSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(C[C@](C)(N)C1(C)CCCC1)C(C)C	2015411433	ZUPMXAVTYBFXJF-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CCC1(C[C@](C)(O)[C@H]2CCC[C@H](C)C2)CCC1	2015589721	YOCBOBJKQISQBX-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CCC(C)(C)C2)CCC1	2015631823	HNMPEULWJACJEM-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@](C)(O)CCC(C)(C)C)CCC1	2015640469	SFGQFBQWNLJEHE-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)C[C@H](O)CC1(C(C)(C)C)CCC1	2017120062	YZMPPEMKAKETSK-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CC[C@@](O)(CC1CC1)CC1(C(C)(C)C)CCC1	2017122133	XHDRMBIYRFDEIS-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2(C(C)C)CCC2)C1	2017124226	FPPASXGSWTYJBP-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCC(N)(CCC)CC1(C(C)(C)C)CCC1	2017137786	BLTMUCDLYMNYDD-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CC(C)=C(F)CN(C)[C@H]1CCCC(C)(C)CC1	2017462747	DZFWSUOEQCGQTQ-ZDUSSCGKSA-N	241.394	4.541	0	10	BJAE	
CC[C@@](N)(CC1CC1)C[C@H]1CC[C@H](CC)CC1	2017731167	OMOJNCMBBOXDEB-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CN)CC[C@H]1CC[C@H](CCC)CC1	2017735118	DJVRXMQXEWODLV-BZUAXINKSA-N	239.447	4.748	0	10	BJAE	
CCC1CCC(N[C@]2(C)CCC(C)(C)C2)CC1	2017911310	CZQKJQUFHQMVQH-ZBCRRDGASA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H]1CC(C)C	2018137594	XMKAKXVPWLSZFV-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CC[C@H]1CC(C)C	2019373810	DACCZXKALJITKW-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC=C(CC)[C@@H](CCC1CCCCC1)NCC	2020965925	MVLKVRNIELFILS-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@](CC)(CNC)CC(F)=C1CCC1	2023194238	CWNGEQLETRYHIB-OAHLLOKOSA-N	241.394	4.590	0	10	BJAE	
Cc1cccc(-c2ccc(N)c(C)c2Cl)c1C	2023975307	DSXYQFRYTGILNQ-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CN[C@H](CC[C@H]1CCCC(C)(C)C1)CC(C)C	2024094901	NLHJLMYYQSEVPM-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC(=O)CCC1CC(C)(C)CC(C)(C)C1	2024100138	ABKSMISWDRDGTA-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@H]1CCCC(C)(C)C1	2024124657	QOVWPBYAGWSMHS-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)c1ccccc1C(C)C	2027516965	BBBHKVVGJSGTLV-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CCCc1ccccc1[C@@H](N)CC(C)(C)C(C)C	2027901541	MQDYFTBEQFWOEK-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
CCC[C@@H](C(=O)c1cc2ccccc2o1)C(C)C	2028256242	XNNAIAGUNBOWHL-CYBMUJFWSA-N	244.334	4.688	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1ccccc1C1CC1	2028559802	KCIKUGFIMCMQKP-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CC(C)CCC[C@@H](O)c1ccc(C2(C)CC2)cc1	2028608422	KGQLJTBYFKVHLY-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CCc1ccccc1[C@H](O)CCCCCC1CC1	2028618943	MCWHXTNPYJLSHG-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1ccccc1C1CCC1	2029069812	NQQIMCVPNGKBRY-CHWSQXEVSA-N	244.378	4.819	0	10	BJAE	
c1cc(C2CC2)ccc1NC1CC(C2CCC2)C1	2029282447	FKUOHUIHPVGZKX-UHFFFAOYSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CCC(CC2CCC3(CC2)C[C@@H]3N)CC1	2030090984	MBLGLNZXAVOSGN-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1N[C@H]1CC(C)(C)CC2(CC2)C1	2030279563	KZAFMCSJRJHGPM-AWEZNQCLSA-N	243.394	4.766	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@]12CCCC[C@@H]1CCC2	2032484826	VMCPZAKMSMHDMT-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CCCNCC1([C@@H]2CCC2(C)C)CCC=CCC1	2033569112	FDFHJPUUEBMWOF-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@@H]1CC12CCCC2	2036099607	ZFEUPUAVWPCVQI-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCc1cccc(C(=O)C2CC(C)(CC)C2)c1	2036479050	XFCYBULMDLMYPD-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(C)(C)NCC1(CC2CC3(CC3)C2)CCCC1	2036735122	OSXFLIQJNAVEDS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)CC1CCC=CCC1	2037208097	OVLNSKQTQHMTGE-IAGOWNOFSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H]2c3ccccc3NC[C@@H]2C)C1	2037223683	KKMFKYMDZNOYNF-FHIRATQRSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C[C@@H]1C=CCCCC1	2037273916	DPBOHTYHFYTPEX-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CC1CCCC1)[C@@H]1CCC2(CCCC2)C1	2037752315	NVDGTSPKKBQNQK-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN[C@H]1C[C@@H](CCC2=CCCCC2)CCC1(C)C	2037870903	MUDNTQJIBCOMCL-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H]2CCC3(CC3)C2)CC1	2038579048	KZTFTLZZQVEQRU-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
C(CCC1CC1)CC[C@H]1CCCC[C@]12CCNC2	2038649720	OFAXRLRCPKILFG-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CC(C(=O)[C@@H]2CC23CCCCC3)C[C@H](C)C1	2039011093	DTPVHZZXIHXNKC-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)c2cccc(F)c2)CC1	2039386073	RAHHHAHTGGIMMT-LBPRGKRZSA-N	248.341	4.615	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](N[C@H](C)c2ccoc2)CC1	2043059425	KAGSTRUQEIDEOR-YCPHGPKFSA-N	249.398	4.535	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)[C@H]1C=CCCC1	2043187656	NMRCODSCOOZZMY-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CC(=O)CCCC1CC1)c1ccccc1	2045606315	CQLURGSTGACYOJ-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCC1([C@H](C[C@@H]2C=CCCC2)NCC)CCC1	2045797066	NMSZWTZHLJPPOX-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@@H]1CC[C@H]2C[C@H]2C1	2047347350	JNAYNQKTADZOSW-HRCADAONSA-N	244.378	4.686	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@H]1CCC12CCC2	2047943518	RUZSUUJSQXDBEU-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(CC2CCCC2)CCC12CCC2	2047962024	MXCUODJCACJAOO-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)CCCCCCC3	2049676197	RKPBJHMRWGDCTO-UHFFFAOYSA-N	241.378	4.834	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@@]1(C)C=CCCC1	2049999011	AOLHZNLESQLTKI-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCC1(C)CCC(NC[C@@]2(C)CC=CCC2)CC1	2051595374	XAHMWBYHKFJFBR-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](c1ccc(C)o1)C1(C)CCCCCCC1	2052505152	OFLISNITECPBHE-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC1(C)CCCC[C@@H]1CN[C@H]1C=CCCCCC1	2053383809	NAUZSIBUKHLCNQ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
NC[C@]1(CC2CCCCC2)CCCCC12CCC2	2053419475	FUNXPXOJTJMORN-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CC1=CCCC[C@@H]1NCC(C)(C)C1CCCCC1	2055669508	LLXXGXFOSDVTEK-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC=C1C)c1ccccc1	2055670220	TWMZWOZTCCIAJB-SJORKVTESA-N	243.394	4.616	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)C2(C)CCC(C)CC2)c1	2056558909	MIUMBDOAQWBRLF-PTXATLKXSA-N	246.394	4.553	0	10	BJAE	
C/C=C/CCC[C@]1(CNC2CC2)CCC[C@@H](C)C1	2059260730	ZVGVZPNENURPLC-JUPLKNRCSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC(N[C@@H]2C[C@H]3CCCC[C@]3(C)C2)C1	2059394589	YCJQOVOMLASANH-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@@H]2CCCCC2(C)C)CC1	2061087720	HQPNILXJNGGHHT-VNQPRFMTSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2061118954	LEMXGYAZNYZNPL-NHMCJKAESA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H]2CCC[C@@H]2C(C)C)CC1	2061144098	OSLIHKZCOFKZHR-DZUCGIPZSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](C1CC(=C2CC2)C1)[C@H](C)CC(C)C	2061651173	URVDSGHTGKDFOF-CXAGYDPISA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCCN[C@@H](C)c1c(C)cc(C)cc1C	2062372134	NUGIKCJHPXBBTI-MOEXGYKKSA-N	245.410	4.619	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	2062645489	FZSXNCMUHASRIE-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](C[C@@H]2CCC=CCCC2)C1	2063712632	FVMBGRFHTVFAQW-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H](NCCC12CCC(CC1)CC2)C1CCC1	2065268544	YHKCEOZHCGTENA-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@@H](CC23CCC(CC2)CC3)C[C@H](N)C1	2065339950	QQLBKSMARHVLLV-TXOGFHGLSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc2c(c1)N[C@](CC)(CCC(C)C)O2	2065996424	XJPSNPWNDSETEG-INIZCTEOSA-N	247.382	4.596	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)C[C@@H]1CCCC2(CC2)C1	2068272678	AFDUMVAGJWHUAB-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2C[C@H]3CC[C@@H]3C2)C1	2068707705	LEGKDGMEPWFYQZ-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1[C@@](C)(O)CC(C(C)C)C(C)C	2068846135	XHBYUZPMKTUNCH-KRWDZBQOSA-N	248.410	4.521	0	10	BJAE	
CCCC1(C[C@H](N)C2(C3CC3)CCCC2)CCC1	2069339192	GKXUPOUZBVPYOW-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@](C)(O)c2ccc(C)cc2)CCC1	2069340229	SGZYJXVTGPCVKP-MRXNPFEDSA-N	246.394	4.563	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C1(CC2CC2)CCC1	2069521757	PIBQBFZBVXTDTJ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N2CCCC3(CCCC3)C2)CC1	2074860017	PFPNQBYPFLYHQD-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)[C@@H]1CCCN1[C@@H]1CCC12CCCCC2	2075010621	MEPAQUSBZIXXFJ-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C1(C)CCCCCC1	2080219313	MJIDISJJYNBMCB-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(-c2cc(Cl)cs2)c(F)c1F	2080279404	XZEMGBYTQCQLFM-UHFFFAOYSA-N	244.693	4.655	0	10	BJAE	
Fc1c(-c2cccs2)cccc1C(F)(F)F	2080293836	IBOZDCQIELIDOZ-UHFFFAOYSA-N	246.228	4.573	0	10	BJAE	
C[C@@H](C(=O)c1cccc(C(C)(C)C)c1)C(C)(C)C	2083554976	KXFNBSOJSBCNJT-LBPRGKRZSA-N	246.394	4.849	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1CCC1(F)CCC1	2084766452	FNWMGKFWCNFNGK-CHWSQXEVSA-N	247.357	4.504	0	10	BJAE	
CC(C)C[C@@](C)(N)CCCCCCC1CC1	2210525927	XBPMVAXLFDYHSF-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)CCC(C)(C)C	2212598227	UGWUZCQPKHQJGS-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@@H]1C)CC(C)(C)CC	2214956730	UXXDIYHRPYSOSP-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCN[C@H](C(C)C)C1	2215271069	JDHNAUJYIHJICA-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CN[C@@H](C)CC)C[C@@H](C)CC(C)(C)C	2217148887	ROBNUNOAOUVRAS-ILXRZTDVSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@]1(CN[C@@H](C)CC)CCCCC12CC2	2217151068	RJTHHIBCYSYOTB-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)N1	2218369197	ZPBIIOQSTZUPFV-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1C[C@H]1C1CCC1	2218731907	NBNQRBGRLRJJHI-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccnc(C(C)C)c2)C1	2220885828	QKXBILVYXRUBLS-UONOGXRCSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2CC(C3CCC3)C2)C1	2221082849	DEDGAQKJOZVMNB-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@H](CNCCCC2CCCCC2)CC1	2221666787	JNROJZKFSDAEKS-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CC(C)(C)C(C)C)N2	2224128099	QBBYJXLUKGWQQG-OAHLLOKOSA-N	245.410	4.794	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)c1cccc2ccoc12	2224197652	HTZBPHHNPKXQNN-RISCZKNCSA-N	246.350	4.539	0	10	BJAE	
CCCC[C@](C)(O)CCCCC[C@H]1C[C@@H]1C	2243908845	SFBZSZTVRSNCLB-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](CC[C@H]1CCC[C@H](C)C1)NC	2246732554	LXWKRBJLMSZVLD-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(OCCCC[C@@H]2C[C@H]2C)c1	2247121591	QUBCHQCGNUEHPO-HUUCEWRRSA-N	232.367	4.509	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CCCC[C@H]1C[C@H]1C	2247162119	ATABXUJMSGMHEX-LVQVYYBASA-N	240.431	4.636	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1(N)CCCCCCC1	2247173003	BWZVOPSCWYXVOO-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C[C@@H](N)C[C@@H]1CCC1(C)C)C(C)(C)C	2247308873	HFYLTSNWWXNAAM-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2CCC2(C)C)CC1	2247392630	YPILPHLLESCSEZ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC[C@@H]1CCCC12CC2	2247641881	WFHQXSBVNQLKCA-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)CCCCC[C@H]1C[C@H]1C	2248806685	GUKYBLZUWMDCHX-FPCVCCKLSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CC)[C@H](CC)CCC	2250361782	PWHHQQQREFGKDM-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1csc2ccccc12	2250369079	FAONMALBNQRCBJ-NHYWBVRUSA-N	248.391	4.761	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CCC(C(C)C)C(C)C	2250379905	WECDDOHVDGKLEE-GDBMZVCRSA-N	241.463	4.848	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C[C@H](CN)C(C)C	2250477719	AOQYZFJGJGUZIT-HZPDHXFCSA-N	239.447	4.626	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)c1ccc2ccsc2c1	2253075313	HQBVNNAMFJERJY-IAQYHMDHSA-N	247.407	4.583	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC[C@H]2CCCC23CC3)C1	2255223027	FPWIFMDFCOFLOQ-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)c1ccc2occc2c1	2259450867	AZOBCZRWIMZUPG-MLGOLLRUSA-N	245.366	4.520	0	10	BJAE	
c1cc(NC[C@]23CCC[C@@H]2CC3)cc(C2CC2)c1	2260578873	NXAHGARRUSCNFX-NVXWUHKLSA-N	241.378	4.556	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@]12CCC[C@H]1CC2	2260588073	QKYRAIWLDDQJHS-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CC(=CCNCCC1CCC1)CCCC(C)C	2300867249	JOUASQFBBDSKJJ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC(C)=CC[C@@H](NC)c1csc(C2CC2)c1	2300868891	CTPQMPXNEHMBKQ-CQSZACIVSA-N	249.423	4.632	0	10	BJAE	
CC(=CC[C@](C)(O)[C@@H]1C[C@H]1C)CCCC(C)C	2300916953	UOHIANCODADLKS-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](C)C[C@H](CCC1=CCCCC1)NC	2301942713	RZJXLMNDHMWMLL-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCc1cc(N[C@@H](C)[C@H](C)C(C)C)ccc1C	2301960271	AFNHCFBGMHPOHZ-KGLIPLIRSA-N	233.399	4.650	0	10	BJAE	
C[C@@](N)(CCCC1=CCCCC1)c1cccs1	2302342740	MJHJQYRSBCTIEV-OAHLLOKOSA-N	249.423	4.593	0	10	BJAE	
CC1(CC[C@H](O)CCCC2=CCCCC2)CC1	2302346533	HYRKGDSDXJJFIM-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C[C@H](O)CCCCC1CC1)C(C)C	2302571595	LZBLSHAWKDOPJE-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2CCC(C)(C)C2)CC1	2302692601	YIWMXJDFGXLBIV-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)C[C@@H]1CCC(C)(C)C1	2302876781	XZMLFHOZKRDERO-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCCNC[C@H](C)CC[C@@H]1CCC(C)=C(C)C1	2303522431	FCUPDBNSHOUDRI-CZUORRHYSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](C)[C@@H](CC)CC[C@H]1CCC(C)(C)C1	2304411713	MEZWLRKUYBFIPR-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCNCC(C)(C)CCC[C@H]1CCC(C)(C)C1	2304431431	LBBCLVJRZZIKJT-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CCCC(F)F)NCC	2307894785	NSNVJAJKGBCKKD-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1CCCCCCC1	2307903763	PTHBYROBJFDOAL-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(CNC(C)C)C1CC1	2307925962	KTBQAGXKBRALBO-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309185204	SJTZDPIXZVMBKE-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@]12CC[C@H](NC3CCCCCCC3)[C@@H]1C2	2310122574	TYWSMBXSUBNMPC-ULQDDVLXSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)[C@@H]1C[C@H]1C1CCCCC1	2312466708	SPFILKBHFLVYHM-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
CCC(C)=CCC(=O)[C@H](c1ccccc1)C(C)C	2316575035	BPVKLJCVPOLLQZ-KRWDZBQOSA-N	244.378	4.742	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@H](N)CC2CCCCCC2)C1	2316869855	LJUYHHCSLVBPDI-IAOVAPTHSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@H](O)CCC2=CCCCC2)CC1	2317968479	GCKRRPCMLOSZHO-YOEHRIQHSA-N	248.410	4.764	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1cccc2c1CCCC2	2317995951	VMMPMAUADUIYCW-KBPBESRZSA-N	245.410	4.658	0	10	BJAE	
C[C@H]1[C@H](Nc2ccc3ccccc3c2)CC1(C)C	2318177748	UCJCLPDVNYVUSF-BLLLJJGKSA-N	239.362	4.686	0	10	BJAE	
CC[C@](N)(CCCC1=CCCCC1)[C@H]1CC1(C)C	2318548057	IOBSPQNGECBJEM-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C[C@@H]2CCC23CCC3)C1	2319292490	GDFXQTKLXBURCB-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@@H]2C[C@H]3CCCC[C@@H]3CN2)CCCCC1	2319820561	RQBZPMYMLNTFBC-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H]2CCCC3(CCC3)C2)CC1	2320232133	KOYSOHJLGRUUST-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1C	2320396787	JVSHGAKTBKSHFX-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CCCCC23CCC3)CC1	2320416359	JQVLHRQYOVKSSQ-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC(C)c1cccc([C@H](O)C2=CC[C@@H](C)CC2)c1	2320517378	QFKVQYQTJVHRRP-CXAGYDPISA-N	244.378	4.590	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)c1cccc(C(C)C)c1	2320575493	AONZRBZQMARLFR-GDBMZVCRSA-N	244.378	4.819	0	10	BJAE	
CC1=C(C)[C@]2(C)CC(c3ccccc3)=C[C@@]12C	1510440	MJUZIFPYYXUABG-IRXDYDNUSA-N	224.347	4.836	0	10	BJAE	
CCC(CC)CNc1ccc(Cl)cc1Cl	19989281	HGANFWWRIHWKJN-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H](C)c1ccccc1	20014013	YMZLZULFBQAZKF-GFCCVEGCSA-N	245.753	4.822	0	10	BJAE	
CCCC(CCC)Nc1ccccc1Cl	21014569	XEDAIAPSDOSCAC-UHFFFAOYSA-N	225.763	4.721	0	10	BJAE	
CCC(CC)Nc1ccccc1SC(F)F	21505871	FTEWUPCRYOQWQR-UHFFFAOYSA-N	245.338	4.602	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccc(F)cc2)cc1C	21509869	MMXCSWIGEKGMMQ-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)C1CCCCC1	36819834	YDNOMUNBGHTREQ-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2CC=CCC2)cc1	36953293	NLFCBVNBUXCVIF-LSDHHAIUSA-N	243.394	4.968	0	10	BJAE	
CC(C)(Cl)Cc1ccc(Cl)cc1Cl	49649442	QKXHMLVUIDWDTG-UHFFFAOYSA-N	237.557	4.553	0	10	BJAE	
CC(C)(C)CC(=O)C[C@H]1CCCc2ccccc21	68847918	PLLCIYWIEDJUHB-CQSZACIVSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCCC[C@@H]1CC	68986497	CCUYJIMNPWGLPC-ZNMIVQPWSA-N	225.420	4.514	0	10	BJAE	
CCCC1CCC(O)([C@H]2CCC[C@H](C)C2)CC1	71153168	GZPKCYMRTBAVQW-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC[C@@H](C)[C@@H]1C	85098721	SDNCXMVESOPDSY-INWMFGNUSA-N	245.410	4.794	0	10	BJAE	
CCC[C@@H](NC)c1cc2cccc(C(C)C)c2o1	88074841	KMETZZVXGPOUNM-CQSZACIVSA-N	245.366	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCCC[C@@H]1NC	103938874	WYQMVNWWULKDJS-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
c1ccc2c(c1)CC[C@@H](CCC1CCCCC1)N2	104156672	ULZIPKOBIIIXBW-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CCCC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1NCC	109666404	MVCXWXHQDPHCSE-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(Nc2ccc(F)c(C)c2)CC1	109957194	KLTQKFXARVSMSI-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CCCC[C@H](N[C@H]1CCC[C@@H]1C)c1ccccc1	109963767	FGTGFQRFCGCLIG-XIRDDKMYSA-N	245.410	4.696	0	10	BJAE	
CCCCC[C@H](C[C@@H](C)C(C)(C)C)NCC	125330512	JLHHJOKFFLDXCK-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H](CC)CCCC	125367310	LZEBNSOKLCWTHB-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
C[C@H](C[C@@H](O)[C@H]1CCC[C@@H](C)C1)CC(C)(C)C	125920976	REPVYNQJBVWGJP-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1ccc(Cl)s1	132975390	WYARZPCKDAMSCK-GFCCVEGCSA-N	246.803	4.651	0	10	BJAE	
CCCC[C@H](CC)CN(CC(C)C)CC(C)C	149185245	JYFCFPPESLMLOW-INIZCTEOSA-N	241.463	4.817	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(CNCC(C)C)C(C)C	164432024	YEYQPJMQHSOPFA-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C1CCCCC1	167099719	RKBSCSCYNGCKMC-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(CC)c([C@@H](C[C@@H](C)CC)NC)c1	167333654	MMNFZQKMOHGVLK-SUMWQHHRSA-N	247.426	4.508	0	10	BJAE	
CC(C)c1ccc2c(c1)[C@@H]1CCCC[C@H]1CN2	214027683	PYBRWMPLKAAQQW-UONOGXRCSA-N	229.367	4.509	0	10	BJAE	
Cc1c(Cl)cccc1C(=O)CCCC(C)C	220288538	ULYDGIWCBQBEIA-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1cccc2ccsc12	228967264	VTMGAIYOEKOZPP-SMDDNHRTSA-N	247.407	4.598	0	10	BJAE	
CC(C)C[C@H]1CCC[C@H](Nc2ccccc2)C1	230764590	KPICKMSZQADLHI-ZBFHGGJFSA-N	231.383	4.703	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCC[C@H](C(C)C)C1	230986301	IJWKTRKGXZZMBM-DZGCQCFKSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@@H](CC)CC1([C@H](C)NCCC)CC1	233002714	OQCWINPKMGHEMI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C(=O)C1(c2ccccc2)CCCC1	233322593	TUELNQWITINSLF-AWEZNQCLSA-N	244.378	4.504	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@@H](C)c1ccccc1	233524876	LVNOMFTZIUKELX-RDJZCZTQSA-N	247.426	4.595	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H]1CNc2c(F)cccc21	235081852	PRUWOBCEBYNCEH-FZMZJTMJSA-N	247.357	4.551	0	10	BJAE	
CCCNC[C@](C)(CC)CCCC(C)(C)C	300793254	CSTQQRCWWYAVPS-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cc(C)c(Cl)s1	300968897	RPZFGZFOSDUSQW-KCJUWKMLSA-N	246.803	4.570	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](CCC(C)(C)C)NC	302244991	AEVJKRKNVQLMLH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@@H](C)C2)ccc1C	302245767	ABGIIWFMTLLARZ-IUODEOHRSA-N	231.383	4.548	0	10	BJAE	
CCCN[C@H](C)[C@@H](C[C@@H](C)CC(C)C)C(C)C	302285643	FRPHDRUUQWQSNG-XHSDSOJGSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H](C)CC(C)C)NCC	302345865	JNRUPAXOXIZQRT-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
c1ccc2c(c1)ccn2C1CCCCCC1	303490419	IGIJIVAGRBPDCS-UHFFFAOYSA-N	213.324	4.537	0	10	BJAE	
Cc1cc(C)c(C(=O)CCC(C)(C)C)cc1C	304157386	UUZBYSRUFURPIE-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
CCc1ccccc1[C@@H](O)CCC1CCCCC1	305898709	WXZBAPHJCOYUSI-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CCc1c(Cl)sc2c(Cl)cccc12	307303190	FRDZSQLVJHBPGE-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C[C@@H](C)CC(C)C	308030432	NWBCULNEVQTUIT-XHSDSOJGSA-N	242.447	4.882	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@H](C)CCC	308113417	QWIBBMSTHPLSNM-KGLIPLIRSA-N	226.404	4.844	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1ccccc1C(C)C	310364654	VBMLQZJGFAOYTP-BBRMVZONSA-N	233.399	4.507	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1cccc(C2CC2)c1	310577423	GSMBIZVSTPRAOY-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CC(C)CNCC1(CCC2=CCCCC2)CCC1	318562531	VDXRUPMIKKSJJL-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)[C@@H](NC1CCCCCCC1)C1CCC1	324716136	DFCWFDGLPVIYGO-MRXNPFEDSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1csc(C(C(C)C)C(C)C)n1	379777281	GBLIVROXVPEVCR-UHFFFAOYSA-N	225.401	4.662	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)C1CCCC1	379972731	NJGYABHNXVTJEB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCc1cccc([C@@H](N)C(C)(C)C(C)(C)C)c1	381052429	ZLCMEJVPIFRARE-OAHLLOKOSA-N	247.426	4.711	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](C)[C@@H](C)CNC(C)(C)C	382667303	PDRPRZVBRGBUMT-KKUMJFAQSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)C1CCCC1	385229415	SYJDSDVKUOMJLU-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC(CC(C)C)CC(C)C	388586343	IGUUGYMFWMXKCS-ZBFHGGJFSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@@H](C)NCC1(CCC)CCC1	391856650	MJTIOONCBJEXCN-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CCCCNC(C)(C)C)C1	394621707	MGMLOESPZRBYCG-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C1CCC(CCCNCC2(C3CC3)CCC2)CC1	395249719	ZMVYBNWITSMDSD-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)C1CCC(C(=O)C[C@H]2CC=CCC2)CC1	402256433	POODSEQEDVZVAR-FHERZECASA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)c1ccccc1OC[C@H]1CC=CCC1	402356944	UNOAKQHJFMRZKO-AWEZNQCLSA-N	244.378	4.719	0	10	BJAE	
CCC1CCC(N)(CCC(C)(C)C2CC2)CC1	405959749	NTCRFJAZOSGWPR-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)C[C@H](C)CC(C)(C)C)CC(F)F	688886927	ALSYUOGNCMDMFJ-MNOVXSKESA-N	248.357	4.699	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1cccc(C(C)C)c1	688925956	HWRJHOGEPQUNMW-XJKSGUPXSA-N	234.383	4.526	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CC[C@@H](C)SC1	689397917	HHEDTMKDBVYONM-CHWSQXEVSA-N	249.423	4.506	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1Nc1ccccc1F	691098684	JECCRRPZTHFSEL-HIFRSBDPSA-N	249.373	4.843	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC[C@H]1CC)C1CCC1	691191663	XQIBKTHMNKMGKC-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)c2ccc3sccc3c2)C1	691794747	OUDUXVGCXCESFT-ZYHUDNBSSA-N	244.359	4.520	0	10	BJAE	
C1CCCC(CNC[C@]23CCCC[C@H]2C3)CCC1	693542629	CBIPUDOZTSJPED-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CC(C)C)C(CC(C)C)CC(C)C	695072144	WYVNGPQZXYMFLL-MRXNPFEDSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2CCC3(CC2)CC3)C1	695667611	RZRAGYYSDFDTFJ-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCCC(=O)c1ccc(C)cc1Cl	704665546	NIOUENANLBUTGQ-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@H]1CC	704967445	LREAAPGTDMXBLU-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CN[C@@H](CC1CCCCC1)[C@@H](C)CC(C)(C)C	708297162	PFGFACZCVJYLRQ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@H]2CCCCC[C@H]2C)ccc1F	709147494	HWEJSTGOOMTAAG-ABAIWWIYSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](O)C[C@@H](C)CC(C)(C)C)C1	709244799	PWQNJUYBFVKBDU-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@@H](C)CC2CCC2)c1	710196969	QLOXZRNFCJJXRH-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
CCCN[C@H](CC1CCC1)C12CCC(CC1)CC2	710263433	PNBCQHZFSJWSMQ-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@H](CC)C(C)(C)C)C[C@H](C)CC	711073755	RKAXPUYOSFBEPA-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)C[C@H](C)c1ccccc1	713182952	OCABFSPIROMWTB-GOEBONIOSA-N	248.410	4.613	0	10	BJAE	
C=C/C=C/CC[C@@H]1C[C@H](CC)CC[C@H]1CNCC	713710098	MKVBPKFAVYGRJP-WUOOCDQJSA-N	249.442	4.561	0	10	BJAE	
CCN[C@H](CCC(C)(F)F)CCC(C)(C)CC	713999382	ABRRLSFWTJVIPU-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCC1CCC(N)(CC[C@@H]2C[C@@H]2C2CC2)CC1	714770982	MDGDCOQXPWFZTM-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCC(C)(C)C[C@H]1NCC	717536805	XBJKAZVQQTUGFS-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1CCC(NC2CCC=CCC2)CC1	718052766	MRURBGNUZGZGSK-UHFFFAOYSA-N	249.442	4.680	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@@H]1CCCCC1(C)C	718591825	DHNRYJSVCZVCHW-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H]2CCCCCC2(C)C)C1	718990385	TYONPCSNRZBXSP-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](NCCCCC1CC1)C1CCCCC1	720172518	WFPMBVAOAINJAA-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H](C)SCc1cccc(C(F)F)c1	1307309313	BRIZMBPVSPMUDR-SNVBAGLBSA-N	244.350	4.902	0	10	BJAE	
CC(C)(C)CCCNC[C@H]1CCCC(C)(C)C1	1474016357	PETWUVDWBLAZAK-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)Sc1ccc2ccccc2n1	1613254523	CHLCIXJTVIBTAD-LLVKDONJSA-N	231.364	4.516	0	10	BJAE	
CCc1ccc([C@@H](O)CCC(CC)CC)s1	1900703231	RHTFGHHQHONDRE-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CCC(C)(C)C)NC	1905449064	ZSLZIAZCXXQHHE-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CCC[C@H]1C	1911056055	OJYPMLLECAREHF-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@](O)(CC)CC1CCCCC1	1911839369	IIUYELGZOYQYPR-MRXNPFEDSA-N	236.399	4.620	0	10	BJAE	
CCC=CC[C@H](CC)c1ccc(O)cc1C	1911913808	KQIDSRWKZSAOKZ-ZDUSSCGKSA-N	218.340	4.551	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCC2(CCCC2)C1	1916416172	WYBKVZPORKKQHO-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CCCC2)C1)c1cccs1	1916424840	YMUUNOZGOBRTIB-STQMWFEESA-N	249.423	4.512	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@H](C)C(C)(C)C	1919948616	OYICAEWJCHGREC-GZBFAFLISA-N	228.420	4.636	0	10	BJAE	
CCCCC1(CNCC(C)C)CC(CCC)C1	1921303620	GLTNCPITBARNEF-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CC=CCC1)C1CCCCC1	1924136266	RCZVHFSPMHTUDS-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
OC1(C[C@@H]2C=CCCCC2)CC2(CCCCC2)C1	1925916592	HMZWINXAWITVGD-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC(=C(F)F)CC1	1927562496	XILIFKRKMNFINQ-SNVBAGLBSA-N	202.288	4.763	0	10	BJAE	
CC1(c2ccccc2-c2nc(Cl)cs2)CC1	1936402747	CSNYQDDFYNHOTB-UHFFFAOYSA-N	249.766	4.515	0	10	BJAE	
CCC1([C@@H](N)CCC[C@@H]2CC2(C)C)CCCC1	1940873074	BGAZMCHMXYVYIL-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CCCCCC1CC1	1941590674	DGHYTZHFKOMXJV-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](C)CNc1ccccc1C1(C)CC1	1944596610	PKEADVKAMGEXDA-CYBMUJFWSA-N	231.383	4.586	0	10	BJAE	
CC(C)(CNc1ccccc1)C1CCCCC1	1944666487	RIOTXQFYPHLZJC-UHFFFAOYSA-N	231.383	4.705	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC2(CCCC2)C1)C(C)C	1946456511	YIZAQMVTNFCIAD-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
FC(F)(F)c1ccc(C[C@H]2C=CCCC2)cc1	1947562190	NZFDPSJVDIXCGT-NSHDSACASA-N	240.268	4.604	0	10	BJAE	
CCCCC[C@@](C)(N)c1ccccc1C(C)C	1948934526	CQLVQUKOKAHXFX-MRXNPFEDSA-N	233.399	4.564	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](N)C1(C)CCCCCC1	1949141351	AYLOEUJEFWNOTB-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)CC[C@@H](CC1CCCC1)NCC	1949870866	RYOUWVJRNBAEDX-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(NC2C[C@@H]3CCC[C@H]3C2)cc1Cl	1950294711	KVXPLTRTGFIQFI-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2CCCC2)CC1	1950916527	BGDXZVSVGXEHBY-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](NC[C@@H]1CCCC(C)(C)CC1)C(C)(C)C	1950922151	MBGPCQFWTRTDEX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC(C)C)C1(CC)CCC1	1951235753	YQVNHDRBVXYJIB-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)C1(CC)CCC1	1951235847	ZVNAZCOUUUAJCX-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCNCc1ccsc1C1=CCCCCC1	1951242479	UOXIRFSOVZBACE-UHFFFAOYSA-N	249.423	4.595	0	10	BJAE	
C1CCC(CCN[C@H]2C[C@@H]3CCCC[C@@H]3C2)CC1	1965889660	ZYLBMZPXNSXCFK-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CC(C3CCC3)C2)CC1	1966048684	OFQSMDVGJJUBAX-MHABSNSOSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@@H](C)NC[C@@H]1CCC(C)(C)C1	1967715709	IWMYAELGYRPUSM-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H](C)C1CCC1	1968598480	YSBYXCDRLFDKNF-ZDUSSCGKSA-N	231.383	4.719	0	10	BJAE	
CCCC[C@H](CC)CN1[C@H](C)CC(C)C[C@H]1C	1970139384	UGCKYNNFDLRWBS-OAGGEKHMSA-N	239.447	4.712	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)C2CC3(CCC3)C2)C1	1972937722	HLOMJXLTVHKRHY-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@H](c2nc(C3CC3)cs2)CC1	1976351550	YADWCABKUMCAOT-JQWIXIFHSA-N	235.396	4.704	0	10	BJAE	
CCCC[C@](C)(CNCC)CC(C)(C)CC	1978652725	QBMKOUXXIXAOOQ-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCC/C=C/CNC1CCC(C(C)(C)C)CC1	1995874898	QOAXIWPJBFECSJ-BQYQJAHWSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](N[C@@H](C)C1(C)CCCCC1)C1CCC1	1995988046	WSYHYBJQMVUDJS-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@@H]1CC[C@H](C)C1	1996265546	AQWWNHITVZAPEF-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cccc(C(C)C)c1	1996615330	FYSRQIPFHCMTSR-HNNXBMFYSA-N	234.383	4.670	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNCCC(C)(C)C)CC1	1997100118	LVUGCZFBIFXICL-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NCCC1CCCCC1	1997341794	PLEFVNDROJFLHE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CCN[C@@]1(C)CCCCC1(C)C	1997421704	JFNYFURMADLMFB-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@@H]1CC=CCC1	1997547390	WRVYKQJBPIWXII-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1CCC=CCCC1	1999990076	GXIIBWLSLBBZNS-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCCCC(=O)[C@@H](c1ccccc1)C(C)C	2000294720	XSSSSWSJWAVWJT-MRXNPFEDSA-N	232.367	4.576	0	10	BJAE	
CCCC[C@@](C)(CNCCC)[C@H]1C=CCCC1	2000508691	LJZQZIUGMWONFE-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCC1CCC([C@](C)(N)CC2CCC2)CC1	2002922403	XYWQGSAYZPTHSQ-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CC2CCCCC2)C1	2002974595	RBPZNSRSHJHXGZ-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@H]1CCCCCC[C@H]1CC(C)(C)C	2003115891	FFPQIABYKOYTIS-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CN)CCCCC1(C)C	2005594991	HOTXBNSPRBGYSO-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@H](NCC)[C@H]1CCCCC12CCC2	2005603776	HVLWWCJLDGBIPP-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC1=C(C)[C@@](N)(C[C@@H](C)CC(C)(C)C)CCC1	2006965535	ORPVZWZISBQREM-LRDDRELGSA-N	237.431	4.667	0	10	BJAE	
CC1=CCCC[C@H]1NC1CCCCCCCC1	2007024800	HNPOMZQAQVHGCV-MRXNPFEDSA-N	235.415	4.578	0	10	BJAE	
Cc1sccc1C(=O)C1(C)CCC2(CC2)CC1	2007683739	UOKGMVJDGCNBHA-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1CC(C2CC2)C1	2007770631	GSYZVJGFDMLCLF-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@@H](NCC)C1CCC(CCC)CC1	2007860180	LHTPGLWCSQYYMM-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H]1CC[C@@H](C)CC[C@@H]1NCCC	2009407097	KXFDCIZQQKHAQJ-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCCC(=O)c1cccc2ccsc12	2009576101	YNUJUNAQKZXIEX-NSCUHMNNSA-N	244.359	4.830	0	10	BJAE	
CC=CCCC[C@@H]1CCCCCCCC[C@H]1N	2009619527	MLNTZQMIYXAOJL-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CCCCCC1CC(NC[C@H](CC)C(C)C)C1	2009716380	SHKROWPTUJKKRM-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)c2csc(C)c2C)CC1	2010743717	NZNXSTNGYKEQFP-IUODEOHRSA-N	249.423	4.501	0	10	BJAE	
CC[C@H](NC)C1CCC2(CCCCCC2)CC1	2013212007	RPCCERSHKNCXMK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCSc1ccccc1NC1CC2(CC2)C1	2014296540	PYGIOGAWYOYVNK-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(O)CCCC[C@H]1C(C)(C)C	2015284607	PDVWAPSEGOBMKI-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@H](O)CC[C@H]2CC2(C)C)CCC1	2015632407	CMVADOSTEPWPPT-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)(C)C)C(C)=C(C)C	2017485540	FVCZIGLCIGJYCN-DZGCQCFKSA-N	239.447	4.783	0	10	BJAE	
CCC1CCC(CC2(O)CC(C)(CC)C2)CC1	2017648372	MYVOMBJIRDORMZ-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)C[C@H]1CC[C@H](C)CC1	2017656220	HASJAADQWLGQLU-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(C[C@]2(C)CCC[C@]2(C)O)CC1	2017711421	CSKYSWNNLSSALE-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CC=CCCNCC)CC1	2017733496	KVDIOWVPHUVJEQ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc2ncsc2c1	2017743251	SVCVWPBOYXPSHX-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2CC[C@H](C)CC2)c1	2017774464	OWNWJTJWAOUQAL-NNUKFRKNSA-N	232.367	4.509	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)C(C)(C)CC)CC1	2017775083	XEDIBSFUYVUHMZ-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCCC1(CC(=O)C2CCCCCCC2)CC1	2018926615	YIKMLLSZLBVZHW-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCC1(C[C@@H](O)C(C)(C)C2CCCCC2)CC1	2018966865	FPMRSPOTACKMCG-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@]2(O)CCC(C)(C)C[C@@H]2C)CC1	2018976173	VGVDYJIQQAJWMP-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)N(C)CCC1=CCCCC1	2019342226	JZIQWAMXTZAKOG-MRXNPFEDSA-N	237.431	4.778	0	10	BJAE	
CCCc1ccc(N[C@@H]2C=CCCCC2)cc1	2019495609	APDHAAHYBDHYTJ-OAHLLOKOSA-N	229.367	4.550	0	10	BJAE	
CC=C(CC)[C@H](NC)C1CCC(CCC)CC1	2020967690	SSRQEXCYEQZGHE-BCLQGDPASA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cccc(F)c1C	2021426291	SABBCHVIRVGJKB-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC(F)=C1CCC1	2023352386	YFRQHLGWDFAWSF-AWEZNQCLSA-N	241.394	4.685	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CC(C)(C)C1(C)C	2025002949	DWOMNGAPAAXEQU-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)C1C(C)(C)C1(C)C	2026144605	NVTMBTOUMPAXQD-CHWSQXEVSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@@H](C)[C@H](C)CC	2026165557	CJJCRXRHIQHZQS-FZKCQIBNSA-N	241.463	4.863	0	10	BJAE	
CC1(CC[C@H]2CCNc3ccccc32)CCCC1	2027308156	ZYWRBMIOQRHOJT-AWEZNQCLSA-N	243.394	4.946	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CCC[C@@H]1CC1(C)C	2027835270	AAKSNTSDJMEKFO-HUUCEWRRSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)c1cc(C)cc(C)c1	2028251014	CDLCBCLYZUFDBY-IAGOWNOFSA-N	247.426	4.636	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1CCCC2(CC2)C1	2028646038	UVSSENUJXQIFKG-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C1=CCCCC1)C1C[C@@H](C)C[C@H](C)C1	2030241750	MERPSEFDMHZTIM-GRDNDAEWSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](N[C@@H]1CC(C)(C)CC2(CC2)C1)C1CCCC1	2030285580	AVKOHFJXIGGFGB-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)c1c(C)coc1C	2035532921	ILHFQKOPXPVYRQ-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
CCCC1CCC([C@@H](N)C[C@@H]2C=CCCC2)CC1	2035604032	YDNVVFDGOYJGEV-MYBQVCMBSA-N	249.442	4.667	0	10	BJAE	
CCCCCC[C@]1(CNC2CC2)CC12CCCC2	2036107618	RGSIBNDJALJLNW-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
C1CCCC(N2CC[C@H]3CCCCC[C@H]3C2)CC1	2036488779	JSNZGBGWMNORQA-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC1(C[C@@H](N)c2ccccc2C2CC2)CCCC1	2037103203	LYQBHIZYUIJMTM-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
C[C@](N)(CC[C@H]1C[C@H]1C1CC1)CC1CCCCC1	2037129977	IOJUXDNKPBDTBS-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C[C@@H]1C[C@H]2C[C@H]2C1	2038329572	CECSMYCTWZVXBO-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(N)C23CCC(CC2)C3)C1	2039871814	HTIDUBMPOHTFIV-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@H]1CC[C@@H](C)C1	2040173043	QLDXXZXZKWNPSX-JKIFEVAISA-N	246.394	4.670	0	10	BJAE	
Cc1ccc([C@H](O)[C@H]2CCCC(C)(C)C2)cc1C	2045364931	HDXGFVCFCACEGR-HOTGVXAUSA-N	246.394	4.553	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC1CC2(CCC2)C1	2045682479	NAAHWIDZQUHIIE-XJKSGUPXSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(C[C@@H]2CC23CCCCC3)C1	2047012171	MTTKGXWLTAVCTH-OAGGEKHMSA-N	249.442	4.502	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047425767	YNLYNFKGBXJHNP-KLHDSHLOSA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC=CCC1)[C@H]1CC[C@H](C)CC1	2049636620	MFBFFUSGXXUIMO-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)c2ccco2)CC1	2049637730	CGRZXLIFDGSRSH-HDJSIYSDSA-N	248.366	4.849	0	10	BJAE	
C[C@H]1CC[C@H](C)c2[nH]c([C@H]3CC[C@H](C)CC3)nc21	2049638304	MRPJLQFJTCZKIQ-CYDGBPFRSA-N	246.398	4.704	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)[C@@]1(C)C=CCCC1	2050005367	FTEBFQJFSCBNND-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@@]1(CCC2CCC2)CCCC12CC2	2053361702	YEAXGYHSOWNKRL-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CN(C1CC=CC1)[C@@H]1CCCCC12CCCCC2	2053698804	YQHKWLDTLHPRGD-MRXNPFEDSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CC=C[C@](O)(C[C@@H]2CCC=CCCC2)C1	2055085563	KPGCPUJQEBWORM-BRWVUGGUSA-N	248.410	4.620	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CCCC[C@@H]2C(C)C)CCC1	2055550258	AXPQVPHLMRKYDN-ZACQAIPSSA-N	249.442	4.680	0	10	BJAE	
FCCc1ccc(NC2CCCCCCC2)cc1	2055668343	CIQMXXPCOPNMPP-UHFFFAOYSA-N	249.373	4.723	0	10	BJAE	
CCC1CC(CNc2ccc(C3(C)CC3)cc2)C1	2056727868	NCXKRGZUZJZKEH-UHFFFAOYSA-N	243.394	4.586	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2CC(C3CC3)C2)CC1	2057833039	UWGODJVZOIZZHN-NFOMZHRRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](N2CC[C@]23CCCC(C)(C)C3)C1	2058157388	XULDYOBVZUFXPA-YOEHRIQHSA-N	249.442	4.610	0	10	BJAE	
C/C=C/CCC[C@]1(CNCCC)C[C@H]2CC[C@H]1C2	2059256961	UEGIPPBISIRVID-IVDNXHHHSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC=C(C2(O)CCC3(CCC3)CC2)CC1	2061080061	DUUYARDEEWIXHL-AWEZNQCLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCCCC[C@@H]2CC)CC1	2061116355	PKLMXRIKTALDHT-VYDXJSESSA-N	249.442	4.811	0	10	BJAE	
CC[C@]1(CC2CC(=C3CCC3)C2)CCCCCN1	2061719807	DCBREFINZCZXLC-QGZVFWFLSA-N	247.426	4.579	0	10	BJAE	
CC1(CC(=O)C2C[C@H]3CCC[C@@H]3C2)CCCCC1	2063404425	CPDXNPHJPZMJPO-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063489409	YNAQYPKHFGARAO-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@H]1C[C@@H]2CCC[C@@H]2C1)c1cccc(N)c1	2063497661	SEEICHYCEIWEFY-DARAHFNDSA-N	243.394	4.589	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC23CCC(CC2)CC3)C1	2065262011	DQSOMKXMFZALKE-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2CC23CCCCC3)CCCC1	2067502293	CLBXZWJMVBNAMR-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
CCCC1CCC(N)(CC2C[C@@H]3CC[C@H]3C2)CC1	2068775686	YOOWMFQVEPTFRZ-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)C)c1c(C)cc(C)cc1C	2068824106	XJEIFJIFHHXGNA-XJKSGUPXSA-N	247.426	4.555	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1(CC2CC2)CCC1	2069520607	AFXVAAZQIYAEPA-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)C1(CC(C)C)CC1	2069522974	DFDLQFRYGNXCNC-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1(C[C@]23CCC[C@@H]2C3)CCCCC1	2070962826	LQVRLZPTDNOHBK-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CC[C@@H]1C1CCC1	2071788469	UOVSBLIGUJOBMJ-NVXWUHKLSA-N	243.394	4.801	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CC[C@@H]2C2CCC2)CC1	2071800602	UINPKUYTJDTEGG-GMRIPVOYSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1(CNC[C@@H]2C=CCCCC2)CCC1	2071933924	RMKFMWHACYCPOS-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C(C2CC2)C2CC2)CC1	2072868302	DMSMNSFJEUMNIY-JOCQHMNTSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H](C[C@@]23CCC[C@@H]2C3)NCC)CC1	2074647826	BVDLEDSHMKIZHL-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C=C[C@@]2(C)CNC(C)(C)C2)CC1	2078850509	QOTCOOYVPYYKAR-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCCC1)[C@H]1C[C@@H]1CC	2079222088	VPQVOMUDZMDAPT-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1CC1)C[C@@H]1C[C@@H]1C1CCCCC1	2079850736	HCIHYDUOSNVNNO-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CC1=C[C@@H](N)[C@H](CC2CC(C)(C)CC(C)(C)C2)C1	2082988965	XXBITKVUYBJREC-LSDHHAIUSA-N	249.442	4.523	0	10	BJAE	
CCC1CC(CCNC[C@H]2CCC=CCCC2)C1	2084913812	BXSGZTZQPPHSAZ-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](CC(=O)CCC1CC(F)C1)C(C)(C)C	2215042388	IFZVZOOIXZKNKX-CPCZMJQVSA-N	242.378	4.546	0	10	BJAE	
CCC[C@](O)(CC[C@@H]1C[C@H]1CC)C1CCCC1	2215252196	PLFQBXZALYVCCT-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@](O)(CC[C@@H]1C[C@@H]1CC)C1CCCC1	2215252198	PLFQBXZALYVCCT-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@](C)(CC)CNC(C)(C)C	2215253095	QQGWORZYOHXTKU-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(=O)CC[C@H]1C[C@H]1CC)C(C)(C)C	2215345299	IOEWPNYSMABIGU-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C2CCC(C)CC2)CC1	2215823351	ICJXXFDNXMVLGP-LDZOIKDWSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)C(C)(C)CCC	2216284144	ZJEWDTNNDSBMPZ-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC1([C@@H](O)CCCCCCCC2CC2)CCC1	2216896032	OQIKXYCIXMTMIF-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2C[C@H]3CCC[C@H](C2)C3)C1=O	2218335296	UZWZLMLKNWSPMN-ORIJERBGSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C(=O)CCCCCCC2CC2)c(C)o1	2218723950	IGNBLJUZGLVDNH-UHFFFAOYSA-N	248.366	4.830	0	10	BJAE	
O=C(CCCCCCC1CC1)C12CCC(CC1)C2	2218729660	CZMCJXIRJSOXBF-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)C/C=C/c1ccccc1	2219067327	SWJNOVPITSIKNE-SCGCXBKJSA-N	246.394	4.523	0	10	BJAE	
C[C@@H](CNC1(C)CC2(CCC2)C1)C1CCCCC1	2220974416	JIQOFKBXULEWIS-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)C2(C3CC3)CCCC2)C1	2221014655	DAMVTAXABLRIAU-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)(C)C1)C1CC=CC1	2221039196	IELOBKZZOUMEOJ-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCCNCc1ccc(C)cc1C1CCCCC1	2221800783	GECGXBOUZFDJKF-UHFFFAOYSA-N	245.410	4.542	0	10	BJAE	
NC[C@@H]1CCCCC1=CCCCCCCC1CC1	2223132490	KOPVIFDYYNJMPW-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
CCCCC[C@]1(CNC2CCC2)CC=CC[C@H]1C	2223538875	GIAPNEQZXJIFLG-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(CNC2CCC2)C=CCCC1	2223591542	CKXFINVLNLCGNT-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)Nc1cc(C)c(Cl)cc1Cl	2242380707	LCYWRQWJABGQFO-MRVPVSSYSA-N	232.154	4.512	0	10	BJAE	
CC=CCCCC(=O)c1csc(C2CC2)c1	2243500288	HZZRGWMXWPJUJS-UHFFFAOYSA-N	234.364	4.555	0	10	BJAE	
CC[C@@H](C)C(=O)CC[C@H](C)CCCC(C)C	2244838797	WDXDMWKLQZFHHJ-ZIAGYGMSSA-N	226.404	4.844	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)C(C)(C)F	2244844437	AHEYUMPNDDPJBR-GFCCVEGCSA-N	230.367	4.546	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC(=O)C1	2244844997	JWFQVDALGLNECI-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CCCC2(O)CC(C)(C)C2)C1	2246729006	SEGQUDRKIJSRPE-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@](O)(C[C@H]2CCC2(C)C)CC1	2247415153	NELLWTIXPYKDJK-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@H]1CCC12CCC2	2247438696	GFRSQISBPWOEBV-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)CCC(C)(C)C	2248811353	ZVXQQLPNOKAUHU-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@H]1CCC[C@@H](C)C1=O	2248880912	VHWHWODTUPSGCC-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C1=CC[C@H](C(C)C)CC1	2250359156	QWYYXICGFVWGRH-OFQRWUPVSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(F)C(C)(C)N	2250521312	AOSCVDAOIWTJIO-HIFRSBDPSA-N	245.426	4.695	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C[C@H]1CCCCC12CC2	2253783328	MQFVCWLJOWRKKD-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)C[C@@H]3CCC[C@@H]3C2)C1	2253909919	DZSVDUMIIYDCIF-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@@H](N)C23CCC(CC2)C3)C1	2253939398	SFJQHSDCMPKKOT-QAXWGOSPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)CC1CC2(CCCC2)C1	2254115815	QJUWEFCHNBDRCI-GOEBONIOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@]1(N)CCCC12CCCC2	2254605925	DOXCBRKSLNJLOU-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCC1(C)C)c1ccccc1	2254823699	ASEDIJRXJKZZCM-RDJZCZTQSA-N	246.394	4.501	0	10	BJAE	
CN(CC1=CCCCC1)C[C@@H]1CCCC(C)(C)C1	2255060116	XGPLGOYDQXKOKE-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CCC[C@@H]1CC1=CCCCC1	2255090557	AUEGMYHJISJADM-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN(C1CCC1)C1CCC1	2257290196	MFJLYRSBNKALOB-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C1[C@@H]2CCCC[C@@H]12	2257311555	MVJAUNWQAGSFGJ-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccc(C(C)(C)C)cc1	2259465111	USEAIOMXGXFSPX-CJNGLKHVSA-N	247.426	4.810	0	10	BJAE	
Cc1ccc(F)cc1NC[C@@]12CCCC[C@H]1CC2	2260624228	OOGHJTNDLFEMEL-BBRMVZONSA-N	247.357	4.516	0	10	BJAE	
CCC(C)(C)C(=O)c1cccc(C2CCCC2)c1	2260666840	FXMKNVODWLRYMQ-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@]12CCC[C@@H]1CC2	2260669740	IWFZPIRLHOXGKN-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)[C@@](C)(N)c1cccc(C2CCCC2)c1	2260715126	DWTRAEXAGYULRT-SUMWQHHRSA-N	245.410	4.564	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298387196	RMGYFXGNOHLNNM-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CCC(N)([C@@H](C)CC2CC2)CC1	2298906932	CZFINGJWLHJXPI-HLIUYOAVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@H]1CCC(C)(C)C1	2300882948	ZDSRIGORTXYNAC-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2301099008	QJNJYYOKLZSJRH-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
C[C@](N)(CC1CCCCCC1)C1CCCCC1	2301146886	DEPZYLQAJGCMBI-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)[C@@H](N)C1CCCCCCC1	2301895689	AZBBQVITIKSOMW-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C)c1ccccc1C(CC)CC	2302237652	FAJRZENHBITQRQ-ZDUSSCGKSA-N	233.399	4.651	0	10	BJAE	
C[C@H]1CCC[C@@H](c2nc(CC3CCC3)cs2)C1	2302263919	ZCMXWPHBIVMMPZ-WCQYABFASA-N	249.423	4.779	0	10	BJAE	
CCCC1([C@@H](N)CCCC2=CCCCC2)CC1	2302361622	PEBGZRIARYENOK-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CCCC(CCC)CN[C@H]1CC[C@H]1C(C)(C)C	2303393823	VKYLPQMOELMLIL-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303488890	BCVCMMLPSHBGCO-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@H]2CCC(C)(C)C2)CC1=O	2304425720	OGEAPZDNBVTURE-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCSc2ccc(N)cc2)C1	2304431195	IDZWRLZTBWSLHH-GFCCVEGCSA-N	249.423	4.577	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC[C@@H]1CCC(C)(C)C1	2304448467	YNDMCRVFHIULOM-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
COC12CC(CC=C(C)CCCC(C)C)(C1)C2	2304484095	RMSPXOCCMAWPQP-UHFFFAOYSA-N	236.399	4.718	0	10	BJAE	
C[C@H]1C(Oc2ccc3ccccc3c2Cl)[C@@H]1C	2307637913	BPUYLVHBQXJRJK-NXEZZACHSA-N	246.737	4.526	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H](CC)CCC(C)C	2307748385	YROULGOOJOFSEA-JKSUJKDBSA-N	241.463	4.959	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCC[C@H]1CNCC	2307827133	UWJYYWPUGYBUCZ-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CC[C@H](C)[C@H]1C(C)C	2307829334	SRKYKFZCBDWQDB-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CC1(C(=O)C[C@H]2CC[C@@H]3C[C@@H]3C2)CCCCCC1	2309170704	AHFYXUICXCAFJP-ZNMIVQPWSA-N	248.410	4.742	0	10	BJAE	
C1CCC[C@H]2[C@@H](CC1)C[C@H]2NCCCC1CCC1	2309184828	MAOBOEISZVHJTO-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H]1CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2312440068	GWYDJSVUXANZTF-XFIYOXNOSA-N	248.410	4.598	0	10	BJAE	
CCc1cc([C@@H](CCCC(C)C)NC)ccc1C	2314635937	JSEXRLQOHCMRAJ-QGZVFWFLSA-N	247.426	4.644	0	10	BJAE	
CC(=CCNC[C@@H]1C=CCCC1)CCCC(C)C	2316492067	SLMNATQCJPJLDT-QGZVFWFLSA-N	249.442	4.705	0	10	BJAE	
CC1(C)CC(C[C@H](N)CCCC2=CCCCC2)C1	2318576508	PSBINHMJWCSXLR-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CCCC1([C@H](N)CCCC2=CCCCC2)CCC1	2318581528	XMOFKGUBYUYRDC-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
CN[C@H](CCCCC1CC1)C1=CCCCCCC1	2318874340	CVLUYNNNFRDHIA-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC=C([C@H](N)[C@H]2CC[C@@H]2C(C)(C)C)CC1	2320211675	QPIYCAIQCXCDIL-KKUMJFAQSA-N	249.442	4.523	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1cccc(C2CC2)c1	2328275756	PNTWMEVDPWPDTD-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1CC2(C1)CC21CCC1	2328293640	QGKDAMRHDBRGEH-BOLLXYOYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](Nc1ccccc1F)c1ccccc1Cl	19994249	ZVRBRICQGNEGIA-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CC(C)CC(CC(C)C)Nc1ccc(F)cc1	19999358	BLMCBSINPYFDTG-UHFFFAOYSA-N	237.362	4.698	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCc2occc21	20520404	KSDLZJXCQUFECI-DZGCQCFKSA-N	249.398	4.606	0	10	BJAE	
CCCCC[C@H](C)Nc1cccc2ncccc12	22153121	VPEKANRGHOSTMF-ZDUSSCGKSA-N	242.366	4.616	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCC[C@@H](CC)C1	83784106	RKAOGUJVUBYUEW-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)C1CC1	86117624	FPHXMWYIEOTZIW-SUMWQHHRSA-N	245.410	4.649	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCC[C@@H](C)CC2)c(C)c1	86887878	DKXIYDLUOXLBEP-WBMJQRKESA-N	245.410	4.993	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCCC2(C)C)cc1	94274164	GEVAVNICCQMADP-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)c1ccc(C)c(C)c1	103985549	ZYVYFPWJYNSBSP-GOEBONIOSA-N	233.399	4.533	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1ccc(C)cc1	109718326	RDTCGCOUVJLTQP-GDBMZVCRSA-N	233.399	4.601	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1ccccc1C	111817358	YILXHCDDVWSBLW-GOEBONIOSA-N	234.383	4.635	0	10	BJAE	
CC(C)c1ccc([C@](C)(O)C2CCCCC2)cc1	122064617	BAKODLRZBBWTAL-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(Cl)nc1	122794194	KWZSRYLXUCAGLK-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CCCC(CCC)[C@H](O)c1ccc(CC)s1	132971875	VUBLGTAMBQFNBD-AWEZNQCLSA-N	240.412	4.560	0	10	BJAE	
CC(C)CCC[C@H](O)c1ccc(C(C)C)cc1	165601344	JEJRQJONNSARSB-INIZCTEOSA-N	234.383	4.670	0	10	BJAE	
CCC[C@@H](C)CC(=O)CC1CCCCCC1	168020401	HNBILLWYYKVWDE-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)C1CCC(CC)CC1	168791602	SMUWEJNKERYWGF-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)C1CCC(CC)CC1	168791686	SMUWEJNKERYWGF-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCc1ccc(C(C)(C)C)cc1	169066631	CFDAIBZLDZTJDD-UHFFFAOYSA-N	218.384	4.963	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)C1(CC)CCCC1	228677317	VRRMKJLYPYBQBO-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
C[C@@H](N[C@@H]1CCC12CCCCC2)C1CCCCC1	230169511	BBUWMAYBEHPHSG-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNc1ccc2ccccc2c1	230692166	QBMAWSKAZDASHX-XJKSGUPXSA-N	239.362	4.688	0	10	BJAE	
CC[C@H](C)c1ccc(OCCC(C)C)cc1	232358298	FQXXFQUGWXZARB-ZDUSSCGKSA-N	220.356	4.625	0	10	BJAE	
CCC1CCC([C@@H](O)C2(C)CCCCC2)CC1	232913134	XHAZUHDXSBRAEI-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1O	250790677	ZLRQYXOBHDEGMV-NWANDNLSSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](Nc2ccccc2Cl)C1	251753700	DGWWHWKJXIIXPF-GDNZZTSVSA-N	237.774	4.577	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@@H](C)CC1	251863485	TUIWHPADPSXDLB-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@H](N)c2ccccc2)C[C@H]1C	251880194	RDMDPRVUEXAJEB-ANQUJSFKSA-N	245.410	4.539	0	10	BJAE	
CCC(F)(F)c1ccc2cc(C)ccc2c1	259070070	XZEFOTWIKBOFLZ-UHFFFAOYSA-N	220.262	4.650	0	10	BJAE	
CCNC[C@H](CCC1CCCCC1)C(C)(C)C	302265804	PSTQYCPNHHGRIS-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C)/C(C)=C/C1CCCCCCC1	302289189	KVPVOPJRRBWYQA-BUYIWHAFSA-N	237.431	4.681	0	10	BJAE	
CCc1ccc([C@H](C)NCCCC(C)(C)C)cc1	302339200	UQVZKBDXFKLDRL-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@@H]1CCC1CCCC1	305977808	QWDBHSJTMZBUDL-XJKSGUPXSA-N	243.394	4.630	0	10	BJAE	
CCc1cc(CC)c2cc(Cl)sc2c1	306939632	OKOXRCOBWCZMOT-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2C=CCCCCC2)s1	310065652	DQKCGSWBHHKDKD-KGLIPLIRSA-N	249.423	4.596	0	10	BJAE	
Cc1ccc(C)n1[C@H]1CCCCC12CCCC2	310256347	LGSAJKMWJNNIQW-HNNXBMFYSA-N	231.383	4.780	0	10	BJAE	
C[C@@H](CC1(O)CCCCCC1)C1CCCCC1	310334047	MGFKHAIPMBWWRH-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
C[C@H](CC1(N)CCCCCC1)C1CCCCC1	310338849	NNBWKSDYNIDCQV-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)c2cccc(C)c2)c1	310536529	RAOCVENFUYFEFI-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCC[C@@H](CCC)NC/C=C\c1ccccc1	310599296	RMDPOZBCDWQFIZ-HOFZKYPUSA-N	245.410	4.648	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C(C(C)C)C(C)C	311083700	ODFVGUIFHRXDBM-QGZVFWFLSA-N	248.410	4.772	0	10	BJAE	
CCC[C@H](N[C@H]1CCC[C@H]1CC)C1CCCC1	313422749	FOJUACPQYCEMSY-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1ccccc1C(C)(C)C	319533466	MPWCWAFDMLCVCB-ZENOOKHLSA-N	248.410	4.700	0	10	BJAE	
CCc1cc(-c2ccccc2C(C)C)ccc1N	381207930	DBEQDEVRLKMRCT-UHFFFAOYSA-N	239.362	4.622	0	10	BJAE	
Cc1cccc([C@@H](N)C[C@@H](C)C2CCCCC2)c1	386210122	MSLPXKRQGSYIES-PBHICJAKSA-N	245.410	4.601	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)c1ccc(C)c(C)c1	386323334	ISXGCLZBLJQYBI-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@H]1CC12CCCCC2	387259879	KYZTXXSKEGIEIM-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)CCNc1ccc(C(F)(F)F)cc1	394414293	XXQDFGSSKQBRES-JTQLQIEISA-N	245.288	4.554	0	10	BJAE	
CCCC[C@@](C)(O)c1ccc2ccccc2c1C	394538698	REGMNYNABKSXFT-QGZVFWFLSA-N	242.362	4.546	0	10	BJAE	
CCC[C@@](O)(CCCC(C)(C)C)C(C)(C)C	395318476	KFWABKNXIBZCBR-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)CC1(CC)CCC1	401330567	DGCFYZXFRSYLIQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CCCCNCC(C)C	401615932	NMBORPWRYICXIX-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CC=CCC1)NCC	402317419	KJOPFYHTCNQPML-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CN[C@@H](CCCC1CC1)C1CCCCCCC1	405703866	BUZUTTWMEYURDP-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@@H](C)[C@@H](C)c1cccc(C(C)C)c1	688971105	KQNOOXOJWSACTJ-HUUCEWRRSA-N	247.426	4.549	0	10	BJAE	
CC(C)(C)c1cccc([C@@H](O)CC2CCCC2)c1	691696640	IYTHUFJIYZSJPM-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCC[C@@H]1C1CC1	695810409	MYFWICWWUVXHGO-ARFHVFGLSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)C(C)(C)C1CCC1	696561357	OSUGDICLKWZSPH-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCNc1cccc(C)c1C	696702929	LUZIIUJSRGBZEH-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	699049527	GYJQYNRZMJEPDC-KNCOVGOOSA-N	240.431	4.636	0	10	BJAE	
FC(F)(F)c1cccc(CCC2CC=CC2)c1	700970188	VNGTWNKOGSWRDX-UHFFFAOYSA-N	240.268	4.604	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1C)C(C)(CC)CC	701204630	LIJXWNFCGSIHAQ-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
N[C@]1(CC2CCC2)CCCC[C@H]1C1CCCCC1	703894070	SZWXQDRLBYAPHW-IRXDYDNUSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)C[C@](C)(N)c1cc2ccccc2s1	704505376	DGIDVFGTJIFWKR-ABAIWWIYSA-N	247.407	4.511	0	10	BJAE	
c1cc(N[C@@H](C2CCC2)C2CC2)cc(C2CC2)c1	705298697	GGOSPOHDDGQRCU-KRWDZBQOSA-N	241.378	4.555	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H]2CCCC23CC3)CC1	706956753	NEYKBTAKOWFRSF-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)N[C@H](C)[C@]12CCCC[C@H]1C2	709277247	OHNRRLAVTAINCA-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc(SCC)c1	709757143	SVRMWTYYGLJBLI-GFCCVEGCSA-N	237.412	4.789	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1C[C@H]2CC[C@H](C2)C1	711046751	HIPGEAAZOXZOPY-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CC(C)(C)CC[C@@H]1C	713064028	GPVXIBGOOWMEFJ-SMDDNHRTSA-N	249.373	4.761	0	10	BJAE	
CN[C@H](CC(C)(C)C)C1(CC(C)C)CCCC1	713139425	ISINDNSPWURJSV-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@@H](N)CC(C)(C)CC)C(C)(C)C	713235789	UHGHHBIJMJKQRG-QWHCGFSZSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)C[C@@](C)(CNCC(C)C)C(C)C	713252406	SVKOYBVXQSWDQK-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
C=C/C=C/CC[C@H](NC)[C@H](CCC)CC(C)C	713683590	LVMQCDJVIFLHHZ-USQNJUIBSA-N	237.431	4.559	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CCC[C@H](C(C)C)C1	718691172	LXWJJDYUFRLSHT-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CSc1ccccc1C(=O)CCC(C)=C(C)C	718727206	DNMISUIBUUASCY-UHFFFAOYSA-N	248.391	4.728	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCCCCC1(C)C	718989456	NAQKWPMAYLVTPE-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1CCCCCC1(C)C	719290668	IXZVSTDRHNHGKP-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	723109036	MMLBQOIYPSUXHB-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)N1[C@H]2CC[C@H]1c1ccccc12	1256374207	XSFGBLNKHJLENT-COXVUDFISA-N	243.394	4.703	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1cccc(Cl)c1	1308231817	BZMYVBHXMXGWFO-DOMZBBRYSA-N	249.785	4.744	0	10	BJAE	
CCC1(C[C@@](C)(O)CCCC(C)C)CCC1	1900579086	BHCYZGMEOSRTPA-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C(C)(C)C1CCCC1	1908591585	KIHJFERLLHNYOQ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(=CCCNC1CC1)CCCCCC(C)C	1911819604	PNQYCHUFMGCWDQ-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
c1cc2cc(N[C@@H]3CC[C@H]4C[C@H]4C3)ccc2s1	1917332094	QIIKUBGDHUIPRV-WCFLWFBJSA-N	243.375	4.502	0	10	BJAE	
CCCCCC[C@](C)(O)Cc1ccccc1CC	1919976416	WMZQASURWSVJKW-KRWDZBQOSA-N	248.410	4.513	0	10	BJAE	
CCCC1CC([C@H](O)C[C@H](C)CC(C)(C)C)C1	1921189227	OMYPWTUXIPMXLC-VXGQWTEUSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C[C@]1(CNC2CC2)CCCC12CCC2	1921612544	ZGNPQVZBOGYDRZ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CSCc1ccc(C[C@@H]2C=CCCCC2)cc1	1925823012	CBVKPNKWBKAUOI-CQSZACIVSA-N	246.419	4.839	0	10	BJAE	
CCC(CC)CCNC1(C)CCCCCC1	1926116415	YKCAFPCSCNTGMT-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)CC(CC)CC	1926179461	XZTVCOMNLYURCO-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)c1cscc1C	1938843879	SZWHVHDXOJTLGW-RISCZKNCSA-N	239.428	4.533	0	10	BJAE	
CCC[C@](O)(CCC[C@H]1CC1(C)C)C(C)(C)C	1940878204	SPILIXHDZORXGB-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)C(C)C	1941263823	FSQPBLKWWLSNAR-BARDWOONSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](CCCCCC1CC1)c1ccc(N)cc1	1941596429	MAOJPXROJZDCET-ZDUSSCGKSA-N	231.383	4.733	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C(CC)CC	1941827375	XVJPMQYAQGUYMF-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@H](C)CCC(C)C	1942656521	MEZQGISUXKIHJC-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](NC[C@]1(C)C=CCCC1)c1cccs1	1943134871	GMHPMNQEZLIWGW-UKRRQHHQSA-N	249.423	4.535	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CCC[C@@H]2C)CC1	1944797380	OLHQIONKVDRRLH-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1CCC[C@H]1C)NCC	1944819560	LGHLZAZMTATTPM-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)C(C)(C)CC	1947583224	XVKCVXDOLPQOTM-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCCCC12CCC2	1947878847	MGIUFONFSOYEKZ-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
NC1(C2CCCCC2)CCCCCCCCC1	1947881309	MZCIGQCKOGLSTQ-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CCCN[C@H](CCC)CCCC1=CCCCC1	1948838333	PCNZVISPHKNMPW-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CCCCCC[C@@](C)(N)CCC[C@H]1CC1(C)C	1949050390	DGGWYHPXHZTCPH-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](CCCC1=CCCCC1)C(C)C	1949828140	OTBUIENNYKRCTA-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)C1(O)CC2(CCC(C)(C)CC2)C1	1950543485	BHEJLDJOCSHTLK-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1Nc1ccsc1Cl	1959203855	HUVYOOGZMZRNIM-UWVGGRQHSA-N	243.803	4.638	0	10	BJAE	
FC1(F)CC[C@H](C[C@@H]2C=CCCCC2)C1	1959891382	VADQUWPTKZAUBZ-VXGBXAGGSA-N	214.299	4.558	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1967698742	FVTVECUBOIYUOT-WCXIOVBPSA-N	249.442	4.680	0	10	BJAE	
CCc1cccc(NC2CCC3(CCC3)CC2)c1	1968331554	ILXYDMFFCLDLIO-UHFFFAOYSA-N	243.394	4.774	0	10	BJAE	
CC[C@@H](Nc1ccc(F)c(C)c1)c1occc1C	1968591273	GMRGROMSFJWPPA-CQSZACIVSA-N	247.313	4.599	0	10	BJAE	
CC(C)Sc1ccccc1NC1CC2(CC2)C1	1970345425	XWWOMJUBCLBQFZ-UHFFFAOYSA-N	247.407	4.542	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1CCCC(C)(C)C1	1978375060	ATKHGUQVUIBFRL-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCc1cc(C(F)(F)F)ccc1C	1980978545	JQDAYUPYQFYBSA-UHFFFAOYSA-N	228.257	4.523	0	10	BJAE	
CC[C@@H](CNc1ccc(Cl)cc1F)C(C)C	1988764736	NUHIAMJUOKSKAN-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CCC[C@H](N)CC[C@H]1CC[C@H](CCC)CC1	1989813753	GFEAUKWLAWJZCS-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C1CCC(C)(C)CC1	1996562960	ZJDYSNCMMDLCIJ-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H]1CC=CCC1	1997545889	HCZWYTDTQBUDQY-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C1CC(C(C)(C)C)C1	1998257618	HTLRVRZAVYTGOP-NRXISQOPSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC[C@@H]1CC(C)C	1998746434	SZKFJCRQTYZMMR-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@H]1CCC=CCCC1	1999983266	KSJJBRSRJYBJFY-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)(CNC(C)C)CC1CC(C)(C)C1	2000509783	QFXLZZADAQBYDL-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)CC1CC(C)C1	2000514339	NEZMPSJLRBCWHE-ZBCRRDGASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@@H](C)[C@@H](C)CC	2000519387	CFIZUVHEZDTZSG-HRCADAONSA-N	241.463	4.865	0	10	BJAE	
CN(CCC(C)(C)C)C1CCCCCCCC1	2003165848	BJVCERKDZBGYCS-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@H]1CCCC2(CC2)C1	2003279094	ZLOSNDGSNDVZNP-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)CCC[C@@H](O)c1ccc(C)cc1	2003624691	ARSSWXLGOSDAKK-OAHLLOKOSA-N	234.383	4.635	0	10	BJAE	
CC1([C@@H](O)CCCC(F)F)CCCCCCC1	2004921943	BQNQNMUGVWULLS-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CCCCC12CC2	2005610156	PLTACXIEBHHKBW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@@H](C(C)(CC)CC)C1	2006624357	PRXNMBXQEGZWDH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C=CC[C@H](CC)C1	2006634865	JAVFQALNXYHKQV-HRCADAONSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)c1ccsc1	2007936799	ILMPGSBOZABPSD-OAHLLOKOSA-N	249.423	4.679	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)c1ccc(C)s1	2007943361	FBUSJAFKCHCGEJ-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
C/C=C/CCCN(C)C1CCC(CCC)CC1	2009572099	MDUIAYKGWCDVGX-GQCTYLIASA-N	237.431	4.633	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CCCC(C)(C)CC1	2009572759	OKBJUIMTMYZTGG-NNTXTVRGSA-N	236.399	4.908	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CCCCCC12CC2	2011273359	AUPMEJXUUQCEMQ-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC[C@](O)(CCC[C@H]1C[C@H]1C)C1CCCC1	2011561451	PIWKTVFWYIZVIO-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](CCC[C@H]1C[C@@H]1C)NCC	2011577487	QDIGRSJMTAXHLD-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC)CCC12CCC(CC1)CC2	2012834508	QKIVLYSPGRBGMN-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@H]1CCC2(CC2)C1	2013266967	MLFMRJOTALWDNV-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(CCC1=CCCCC1)CCC(C)C	2013296337	KFKHTBZFXASMGN-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(O)CC(C(C)(C)C)C1	2014655257	DLAHEPYJOGGTCO-FUJMWEONSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)C(C)(C)C(C)C	2015271073	LZZKVQOSAKCRQD-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)CCC(C(C)C)C(C)C	2015332713	AAXVDUASUHCHCX-ZBFHGGJFSA-N	242.447	4.738	0	10	BJAE	
CC(C)C(CC[C@H](O)[C@@H](C)C(C)(C)C)C(C)C	2015337439	ZBTAAJVHCQADSZ-HIFRSBDPSA-N	242.447	4.738	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CCC(C(C)C)C(C)C	2015344480	KHCAMHITWHJAAH-HNNXBMFYSA-N	241.463	4.848	0	10	BJAE	
CC(C)CC1(C(=O)[C@@H]2CCCC(C)(C)C2)CC1	2015745524	LHOFBLOKLPQOSI-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@](C)(N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2016114077	DELSWSWVCHTUHL-JJXSEGSLSA-N	237.431	4.523	0	10	BJAE	
CCCC(C)(C)C(=O)CC1(C(C)(F)F)CCC1	2016742532	ZUPYFFJAMUSLGG-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC(C)C1(CC(=O)C2(C)CCCCC2)CCC1	2017129835	UAXNFXWXXATGKH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC[C@@H](C)N2)CC1	2017732893	FYSATZDPVDZOMN-PRLABOORSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC1CC(C)(C)C1	2018185764	SJHNKYXFNMCWEM-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCC1CCC(c2nc(C3(C)CC3)cs2)CC1	2018312486	OSQGCWBBQWYVRV-UHFFFAOYSA-N	249.423	4.878	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@]12CCCC[C@H]1C2	2018620542	XMPPNKLYTPXHTC-DVOMOZLQSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC2(CC)CC2)CC1	2018995101	NNMLXVURSZPXKX-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCCN(C1CCCC1)C1CCC(CC)CC1	2019164666	TXWXTSRAGFJEMF-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@H](CC)CN1C[C@H](C)C[C@H](C)[C@H]1C	2019192147	SFKOVVBBIUJPBK-QXSJWSMHSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H]1C[C@@H]1C(C)(C)C	2022488700	DOWHKBSFFBPFPL-LJISPDSOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1C[C@H]1C[C@@H]1C[C@H](CCC)CCC1=O	2022559139	BYRKEVMZZJIEAK-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
FC(Cn1ccc2cc(Cl)ccc21)=C1CCC1	2023185275	SEYPXMYNDVXVAT-UHFFFAOYSA-N	249.716	4.702	0	10	BJAE	
CC(F)(F)CCCC(=O)CCCCCC1CC1	2023306097	ZGWMPWPHEFCFNM-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CC[C@](O)(CCCCC(C)(F)F)C1CCCC1	2023307996	WEOXJXKUCJZZEF-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(F)cc1CC	2023449055	WQDLTAHMTWRRQH-LBPRGKRZSA-N	237.362	4.769	0	10	BJAE	
CC[C@@](C)(CN)CC1CC(C)(C)CC(C)(C)C1	2024089227	NRNCEVZJRJAIKD-MRXNPFEDSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1ccc(CC)o1	2026080794	SSUIVZBCIVXVNY-LBPRGKRZSA-N	236.355	4.631	0	10	BJAE	
CCCc1ccc([C@@H](O)[C@H](CCC)C(C)C)cc1	2028235624	RGUYISMGECWDIJ-IAGOWNOFSA-N	248.410	4.745	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)c1ccc(C(C)C)cc1	2028267078	YDPXITKINUDYNY-IRXDYDNUSA-N	247.426	4.882	0	10	BJAE	
CCCCC[C@@H](NC)c1cccc(C2(C)CC2)c1	2028556364	CKRLPZIIJJRSME-MRXNPFEDSA-N	245.410	4.579	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cccc(C2(C)CC2)c1	2028559207	DPKHCSKBHBLIOB-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CCCC1CCC([C@@H](NCC)C2=CCCC2)CC1	2033810570	KWRWMFJFGUTRMY-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
Cc1coc(C)c1C(=O)CC1CCC(C)(C)CC1	2035530952	BHQYPLAPNXLSSN-UHFFFAOYSA-N	248.366	4.686	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@H]1C=CCC1	2035587272	BLCRUFQJCSYEBL-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC1(C)CC(C(=O)c2ccccc2C(C)(C)C)C1	2036323490	RHIAOQDFYLIEOP-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C[C@H](C)c1ccccc1	2036386405	YEMFFOBZQBRUPQ-YQQAZPJKSA-N	247.426	4.580	0	10	BJAE	
CCCN[C@@H](CC1CC2(CC2)C1)C1(C)CCCC1	2036755206	KIBIBGYCQUJBDN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1ccccc1C1CC1	2037105132	XCNPCGMOMZTSKU-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@H](N)c1cccc2ccccc12	2037124143	BJIRXIYDAIKCHZ-IGCXYCKISA-N	241.378	4.522	0	10	BJAE	
C[C@@H]1CCC[C@](CN)([C@H]2CCC3(CCCC3)C2)C1	2037686678	NWWZUTDVXIPSPO-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CCC1CCC([C@H]2CNC3(CCCCC3)C2)CC1	2037721644	RJLMXCVPYYKWJA-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCC1CC1)CC1CC2(CCC2)C1	2037974385	KZWXOVPSFLVMRE-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC1CCC1)CC1CC2(CCC2)C1	2037982264	LKFYAZNGOIFMRN-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC[C@@H]1C)c1ccccc1	2038138965	POSBJDUCVRHCDC-BHYGNILZSA-N	245.410	4.554	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CC1CCC(C)CC1	2039441054	JMSFORJJQLKGBD-RAUKWFPGSA-N	249.442	4.523	0	10	BJAE	
CC(C)NC[C@@]1(C[C@H]2CC[C@@H](C)C2)CC=CCC1	2040171167	CCQFBFCBODORJD-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@]1(C)CC=CCC1	2042073626	BXVBYDWQQXNGFR-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1C[C@H]2CC[C@H]1C2	2045310684	FLOWCAOMFQZGHV-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC1[C@H]2CCCC[C@H]12	2045570633	HVNYCZHDNJABSL-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC([C@H](N)C[C@H]2CC23CCCCC3)C1	2047006338	ABBMODMIMDJMGV-PWUWZPNHSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CC=CC1)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047427397	NXURUHSIKCZZRB-BZUAXINKSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2CCC23CCC3)cc1	2047963610	ZLIZLJNXEMWHDM-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
Cc1ccc(NC[C@H]2[C@H]3CCCCC[C@H]32)c(C)c1	2048449141	YTWJXQJMWAFZDC-MUJYYYPQSA-N	243.394	4.542	0	10	BJAE	
CC(C)C1CCC([C@@](C)(N)C2=CCCCC2)CC1	2049411305	HHCUBFBXMKPWKW-PREGVCBESA-N	249.442	4.667	0	10	BJAE	
C[C@H](NCC[C@H]1CC=CCC1)[C@H]1CCC[C@@H](C)C1	2049530594	XQNMGJMWTCZWGC-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C[C@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049857085	PNEZJOUJKJIARR-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCCC2(CC2)C1)C1CCCC1	2049938518	RIPFZJUDXXFEGU-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@H]2CCC3(CC3)C2)C1	2049950756	JPOHOAXTJHMYHW-NWANDNLSSA-N	246.394	4.518	0	10	BJAE	
C[C@@]1(C(=O)CC2CCC3(CC2)CC3)C=CCCC1	2050000334	MSBVHLLSGTUJBP-MRXNPFEDSA-N	246.394	4.662	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@@H]2CC[C@@H]21	2052287268	WMRJAAJNIZJQSO-OWCLPIDISA-N	243.394	4.548	0	10	BJAE	
CC1(C)CCCC[C@@H]1CNCCC1=CCCCC1	2053379764	AXZIOCURLLRBHV-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CN(C1CCCCCC1)C1C[C@H]2CCC[C@H](C1)C2	2055249405	HVPKKNPRXUSKQJ-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
Cc1cccc2c1ccn2CC1CC(C(C)C)C1	2056669287	HPUOQGIIRRMLER-UHFFFAOYSA-N	241.378	4.632	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)C(=O)[C@H](C)C[C@@H](C)C2	2056681215	ZNKAVKOZTMLBOJ-FRRDWIJNSA-N	244.378	4.601	0	10	BJAE	
CCN(CC1CC(C(C)C)C1)c1cccc(C)c1	2056756657	LEFIBXFFMAHYCG-UHFFFAOYSA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H]1CCCC[C@@H]1CC	2056872970	JAGSBUGWMXKZMU-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)C1(C2CC2)CCCC1	2057596284	JUSKAHGEEABVBO-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Fc1ccc2c(c1C[C@@H]1C=CCCCC1)CCC2	2057855990	BGPFVYBMFUGXCY-CYBMUJFWSA-N	244.353	4.603	0	10	BJAE	
C[C@@H]1CC=C([C@H](N)C(C)(C)C2CCCCC2)CC1	2060925929	OBJREWJHVUOZIF-CJNGLKHVSA-N	249.442	4.667	0	10	BJAE	
O=C(CC[C@]12CCC[C@@H]1C2)C1CCCCCCC1	2061605830	IFZHVLYNLMUELT-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CC(C)(C)C1CC(C(=O)CC[C@]23CCC[C@@H]2C3)C1	2061613376	SANLHRUIGOXPGA-GMUWMPNVSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCCCCNCC1CC(=C2CCC2)C1	2061647086	MRWQOTUBYOMARE-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCc1cccc(NCC2CC(=C3CCC3)C2)c1	2061719774	CNAUOKWTCFXRGG-UHFFFAOYSA-N	241.378	4.551	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CC1CC(=C2CCC2)C1	2061736770	KIGMYIZXPGLBRN-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@H]1CCCNc1ccc(C(C)(C)C)cc1	2062650525	DWCKYNYKQMYLKC-UONOGXRCSA-N	245.410	4.832	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1C[C@H]2CCC[C@@H]2C1	2063502344	WBKUJIZETWLNMK-KQTLUZQSSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC12CCCC1CCC2	2063902929	LWCUINKWMYJYLU-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC1(CC2CCC2)CC1	2069585066	MFILSHZAMOPWAD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(CC)c(NC[C@@H](CC)C(C)C)c1	2070275172	QKXNAEAKIDEDKA-MRXNPFEDSA-N	247.426	4.906	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)c1ccc(C2CC2)cc1	2070413128	IUYJSMMXVYSFQB-QGZVFWFLSA-N	244.378	4.518	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)c1cccc(C2CC2)c1	2070413677	NGANEJNVTUXFFE-QGZVFWFLSA-N	244.378	4.518	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H](C)C1CC=CC1	2070809782	CVUWIXVHNQRUKW-RHSMWYFYSA-N	249.442	4.680	0	10	BJAE	
Cc1cccc(OCC2(C(C)(C)C)CCC2)c1C	2071918896	XCDCPNLQZMGWGK-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
CC(C)=C(C)CC1(CNC2CC2)CCC(C)CC1	2072409368	ZCJFIHBKKDXZDI-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)[C@@]23CCC[C@@H]2C3)CC1	2072799146	PNTMAHJZZVBKDA-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CC3CCC2CC3)CC1	2072805522	CTHACMWGHJSXSM-AXRJEEMOSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)c2c(C)cccc2F)CCC1	2075975701	XUDMKMKUHBLFKN-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCCCN(C1CCCC1)[C@H]1C=CCCCCC1	2076586936	RNDQBIMONQOUFI-INIZCTEOSA-N	249.442	4.920	0	10	BJAE	
CC=C(CC)[C@H](C[C@@H]1CCC12CCC2)NCCC	2077197134	PJCYLHPUISGJQS-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)[C@@H]1C[C@H]1CC	2079221257	BEKUXBKFYNXNST-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](N)[C@@H]1C[C@H]1C1CCCCCC1	2079792444	ALEACHQSXAAHTB-SYKMGOGESA-N	249.442	4.667	0	10	BJAE	
O=C(CC1CCCCC1)C[C@@H]1C[C@@H]1C1CCCC1	2079841933	LNXXIMUFIUSGPO-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc2c(Cl)nc(Cl)cc12	2081063893	DDMKPCXIWOABSV-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2081117102	AXCFYSFGMIUHNO-GVDBMIGSSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C)c(C)c(CN[C@@H](C)CC(C)(C)C)c1	2082903028	HIYLWLGBCBAMFH-AWEZNQCLSA-N	247.426	4.526	0	10	BJAE	
CCC(C)(CC)CNCc1cc(C)cc(C)c1C	2082904280	WPLXDGVWTJQBNU-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
CCCC[C@@H](CC1CC2(C1)CC1(CCC1)C2)NC	2083615939	RSWLVLUJLNOEPM-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)Cc1ccccc1C	2086044575	OVYVDNVGQBLHIH-PBHICJAKSA-N	248.410	4.505	0	10	BJAE	
CCc1ccccc1Cn1c(C)cc2ccccc21	2087765081	AYPVRXBPUZHRCF-UHFFFAOYSA-N	249.357	4.560	0	10	BJAE	
CCC(C)(C)[C@H](CCCCCCC1CC1)NC	2213575869	KEJQDCVEWJHSHF-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN(CCCCCCC1CC1)[C@H](C)C(C)C	2213581214	UEFKCWPIWCDQSS-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CCCCC1CC1	2214560431	LYIVCAWFHOXEAQ-MRXNPFEDSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCCCC1CC1	2214586482	WKAHYUXSORTFRL-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H]2CC[C@H]2C)CC1	2215091961	CUYFJYCGNVTVMK-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)c2cc(C)sc2C)CC1	2215820533	FWVTVXFZOCNOSO-HNNXBMFYSA-N	248.391	4.684	0	10	BJAE	
CC1=CC[C@@](C)(CNCCCC(C)(C)C)CC1	2215824832	XSYSAKGWECSCAR-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
Cc1cc(Cl)cc([C@@H](C)Nc2ccccc2)c1	2216167613	AQRMSLPWPWIMMB-GFCCVEGCSA-N	245.753	4.822	0	10	BJAE	
C[C@H](CC(=O)CCCCC(F)F)CC(C)(C)C	2216521109	FDVGAMOJCHLZRS-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
CCCC[C@@](O)(CC)c1ccc(CC(C)C)cc1	2218651661	YWWPRBOTVCLJGI-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@@]1(C)CC=C(C)CC1	2221627354	AZJQVGXAPLSHIG-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(CNC[C@H]2CCC[C@@H](C)C2)CC1	2221644819	VIRIJEFVBYDMRQ-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)[C@@H](O)CC[C@@H]1CCCCC12CC2	2246628826	AQQZBYGQAJAENL-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CN(C)CC[C@@H]1CCC[C@H](C)C1	2246679367	NWSQHAZBGMMBNH-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CC1CCC(O)(CC[C@H]2CCC[C@H](C)C2)CC1	2246691150	GYPWAJFHBZOZOM-PWUWZPNHSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)CC1CCCCCC1	2247400799	SECBKULMYTXBKX-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2CCC2(C)C)CC1	2247441257	NPQMXPMMADKWEL-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@H](O)CC[C@@H]1CCCC12CC2	2247608151	HJTOOVFTYDYOFQ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1CCC(C)(N)CC1	2248869653	IYMQXGUHCUBDFX-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cc(C)c(C)c(C)c1	2249487305	RRBAVYSPBHFXHZ-CQSZACIVSA-N	233.399	4.848	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@H](CC)CCC	2250359917	UNOHZFBCQXJLQC-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cc(C)c(C)cc1C	2250363063	YIINSSOMPZNJLX-AWEZNQCLSA-N	232.367	4.621	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@@H]1CCC[C@@H]1C	2250487510	BKAAEQSDBVWNBT-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC(=O)C[C@]12CCCC[C@H]1CC2	2251163464	QPJKKGSDTZNAKY-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(CCCC2CC2)C1	2251660851	ZHTVRKIJEIMIFZ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC1CC(CCC(=O)C[C@H]2CC[C@H](C)CC2)C1	2251763241	NNFHPWHMPCYWAL-NZFPVTAUSA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2253760534	NJKJUFAYJNPJFE-PRMLZIFMSA-N	248.410	4.598	0	10	BJAE	
O=C(CC[C@@H]1CCCCC12CC2)CC1CCCC1	2253799073	DCQSLOGHCVYJRO-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
Cc1cc([C@H](N)CC[C@@H]2CCC[C@H](C)C2)oc1C	2253938065	KPHNQMJBBKSQAR-TUKIKUTGSA-N	249.398	4.503	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@H]1CCCC12CC2	2255245001	HHUCUWPEGZZXSM-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC1CC2(CC(C)C2)C1	2259572462	SOYPHMUTVOISDN-CQMDXDKXSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C[C@@]12CCC[C@H]1CC2	2260589191	WTULVXFKFMSPCZ-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@H](N)C[C@@]23CCCC[C@@H]2CC3)CC1	2260677059	CNEFLIIRSRKGCN-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CC[C@H](O)c2cccc(C(C)C)c2)C1	2261511786	GMNLLBCGAXZLHH-KVULBXGLSA-N	246.394	4.670	0	10	BJAE	
CCC(CC)CCN1CCCCC12CCCC2	2300678583	LPXGKDYDBRBKRX-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@H](CC(C)C)C(C)C	2300906531	JBYMYXKSAMGFBT-HZPDHXFCSA-N	239.447	4.639	0	10	BJAE	
CC(C)(C)CC(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301140595	QIUUZOWCURQYRR-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
Cc1cscc1NC[C@@H]1C[C@H]2CCC[C@H]1CC2	2301239385	PGLQGTBWHWRPSJ-IHRRRGAJSA-N	249.423	4.685	0	10	BJAE	
Cc1cc(N[C@@H](C)[C@@H](C)C(C)C)cc(C)c1C	2301835700	HVVLTFPUVQZNLG-ZFWWWQNUSA-N	233.399	4.704	0	10	BJAE	
CCNC[C@](CC)(C(C)C)[C@H](C)[C@H](C)C(C)C	2301957118	YHIZKWKYDIKTST-BZUAXINKSA-N	241.463	4.577	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@H](C)[C@H](C)C(C)C	2301976622	ZLCYMTYCIHBUAR-HUUCEWRRSA-N	241.463	4.815	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CC(C)(C)[C@@H]2C)cc1	2302145574	AGVVRQHQCBOJIW-IUODEOHRSA-N	231.383	4.657	0	10	BJAE	
CC(C)CCCCNCCCC1=CCCCC1	2302316394	VEENJWGMKKLFAR-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](O)CCCCC2CC2)C1	2302719279	AZZFXEYWKGKRID-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1C[C@H]1CCC(C)=C(C)C1	2303599905	AQMXPEZTKLTUFL-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)CC(C)(C)C)c1	2307508449	PVQUYIZYAAIKON-UHFFFAOYSA-N	232.367	4.737	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc(C2CCC(C)(C)CC2)n1	2307686699	FTKXQVFSGFMBIS-PWSUYJOCSA-N	249.423	4.950	0	10	BJAE	
C[C@H]1C[C@H]1c1csc(C2(C)CCCCCC2)n1	2307694765	OMYXUIFCWNJXFQ-NWDGAFQWSA-N	249.423	4.878	0	10	BJAE	
CCC[C@H](CC)CN(C)CCCCC(C)(F)F	2307751407	GNTNUBPXYMGMJA-ZDUSSCGKSA-N	249.389	4.570	0	10	BJAE	
CCC[C@H](CC)CC1(CN)CC(C(C)(C)C)C1	2307847379	ZYEATSVEBPKSGO-HLIUYOAVSA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](CC1CCCC1)NC	2307901037	XBCRAPXLHLZBMZ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC1(CN[C@H]2C[C@@H]3CCCC[C@]3(C)C2)CCC1	2308400253	KSGUMCXMZWCFRP-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@@]12CCCC[C@@H]1C2	2311129577	PUGJIRNIYNSIDB-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@]12CCC[C@@H]1CC2	2313336452	SHJSRLPMTRLAGE-JYYAWHABSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H]([C@H](C)CC1CC1)[C@]1(C)CC=C(C)CC1	2313696970	ZXFZJCZOMYLKEF-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H](C2)C1	2314421091	DKMBSXZDBOKAPL-ALYAQQCSSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC=C1CCNC2(CCCCC2)C1	2316239251	HUIWTRYMNHXPRT-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316873131	LOGCMYWLWYJXQT-QMHWVQJVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNC[C@H]1CCC=CCCC1	2318761177	YBIGJIQPVBPLLG-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CCCC[C@@H]3C[C@@H]32)c1	2319332344	RWTAPIDAFDXLDI-UKPHBRMFSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CC[C@@H](CCC2CCC3(CC2)C[C@@H]3N)C1	2321607162	CYFLUIHGIKJFKI-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](Nc1cc(F)ccc1C)c1ccccc1	19996531	QLVHOPQETKXMPZ-HNNXBMFYSA-N	243.325	4.697	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cccc(Cl)c1Cl	20017960	JVJNWVZUQRNYCL-BDAKNGLRSA-N	246.181	4.840	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cc(Cl)cc(Cl)c1	21011826	IMUMPLHXHJNCOM-RKDXNWHRSA-N	246.181	4.840	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(F)cc1F	21519330	QAMVCNDJLAEURR-CMPLNLGQSA-N	241.325	4.592	0	10	BJAE	
CCCCCCSC1CCCCC1	32226615	NNUJFRHPHPUNEC-UHFFFAOYSA-N	200.391	4.633	0	10	BJAE	
CCCCC[C@@H](NC)c1ccc(CC(C)C)cc1	35459558	NZMPRHWUFDPANT-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)(C)C)c1ccccc1	35540476	IWEKJTPBOIHNDT-GDBMZVCRSA-N	247.426	4.800	0	10	BJAE	
CCCN[C@@H](c1cc(C)ccc1C)C(CC)CC	35581704	CJRZHOLXMRQLKB-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCCC[C@@H](C)N[C@H](c1ccccc1)C(C)(C)C	37292275	XWQNJVQGSWPBMW-GDBMZVCRSA-N	247.426	4.942	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)[C@H](C)CC[C@H]2C	49829129	FJZIIKIBMSOORR-NXEZZACHSA-N	237.774	4.859	0	10	BJAE	
CSc1ccccc1N[C@@H](C)c1ccsc1	50341112	FOSQIORQJHQGNL-JTQLQIEISA-N	249.404	4.643	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(Cl)cc1	68985469	HOQNLVCBDVAGDB-GFCCVEGCSA-N	225.763	4.721	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)[C@@H](C)C(C)C)cc1	70126070	BHZQVZFNYYYPTL-WWGRRREGSA-N	234.383	4.526	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCCC[C@@H]1N	71084072	AXNQMGJJBLEEFD-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1CCCCC1	71085164	NTFZROKEVJBKKG-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C[C@H](c1ccccc1)c1ccc2c(c1)CCCC2	75841849	ATZAQOQMJXMCHK-CQSZACIVSA-N	236.358	4.717	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccsc1Cl	79638960	OTWQXMKFMYWGDA-SECBINFHSA-N	231.792	4.782	0	10	BJAE	
Cc1ccc(NC2C[C@H](C)C[C@@H](C)C2)c(C)c1	84461843	KSOLHRANZLPUAS-CHWSQXEVSA-N	231.383	4.540	0	10	BJAE	
CCCCCC[C@]1(O)CCC[C@@H](C(C)C)CC1	87187599	DIAJIBVFIZWEMT-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
Cc1ccc(C(C)C)c2cc([C@H](O)C(C)C)oc12	88072645	YSIBUDYNYKIDFW-OAHLLOKOSA-N	246.350	4.554	0	10	BJAE	
Cc1cc(C)c([C@H](C)Nc2ccsc2)c(C)c1	90866497	IEQNQXGYLPVGGX-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(OC)c(C)c1	103988926	RVQIPFKFOIOAQX-GXTWGEPZSA-N	249.398	4.630	0	10	BJAE	
Fc1cccc(-c2ccc(F)c3ccccc23)c1	112733512	SUWCCTSJAXMXLL-UHFFFAOYSA-N	240.252	4.785	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@@H]1CCCC[C@@H]1CC	122932301	AEXRZTADBLGNCW-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CCCCCn1ccc2c(OC(C)C)cccc21	124162602	WKVAMDDYVVAKBA-UHFFFAOYSA-N	245.366	4.619	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](C)CC[C@@H]1CNC(C)C	131438004	JIIKQCMKLUAABQ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)c1cc(C)cc(C)c1	132592255	LHNCOUZVMUUDGJ-GOEBONIOSA-N	233.399	4.533	0	10	BJAE	
CCCN[C@H](c1cccc(CCC)c1)[C@@H](C)CC	165811706	VFTDAVDVDGFMIM-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CC(C)C[C@H](CNC(C)(C)C)C1CCCCC1	167926193	PUVPDCYVSHWUNZ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)c1ccc(C)cc1	203426650	LYWSZHQDWPCPFO-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CC[C@@H](CC)C1	227227120	JZGMUYLRYRCXAH-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@@H]1CCCC[C@@H]1CC	229333630	WUWGZIDCZFQDQW-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@H](N)CCC2CCCCC2)C1	229456296	TXTIYAJGLQRAJE-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCCCC(CCCCC)NCC1(C)CC1	232942119	GNYFPEYAEVNFBP-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
Cc1ccc2[nH]cc([C@H](C)C(C)(C)C)c2c1	235231799	JQIYXVAISVVOKI-NSHDSACASA-N	215.340	4.626	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCC[C@H]1C	251388257	STZRQTLARZMJPA-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CCC1CCCC1	302283360	VGCPTFIDAJCOOT-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@@H](C)C(C)(C)C	304364920	ZGEBEPVPESQFLH-SNVBAGLBSA-N	239.790	4.743	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CCC2CCCCC2)C1	305939368	LETYNYZJSMWNFO-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](NCC)c1ccccc1	308080108	NFEVLMUPLFTPCC-IRXDYDNUSA-N	247.426	4.800	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1cc(C)oc1C	308114867	SUSSUKAGIIHRQR-ZDUSSCGKSA-N	236.355	4.542	0	10	BJAE	
CC(C)CC[C@](O)(C[C@H](C)CC(C)C)C1CC1	310133092	BDPPHQRVUBIRCQ-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CC[C@](O)(CC2CCC(C)(C)CC2)C1	310185977	XMRCPOCILTWOQE-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(CC2(C)CCCC2)C1	310189753	ZOOVJEVPNIJRPD-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@@]1(O)CCCCC1(C)C	310930222	ISLXDZLTKQFZIW-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H](NC[C@H](C)C(C)(C)C)c1cccc(C)c1	310965826	UWHJHZKYMKZQQH-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNC(C)(C)C)CC=CCC1	317229969	MHGCXQXXWJNGKF-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC1(CNC(C)C)CCC(C)CC1	317350707	HNUYVTSHBUNYDV-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@]1(CNC(C)C)CCC[C@@H]1C	317662108	VUWSTOAKMZVHIQ-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(CCCC(C)C)CC[C@H](C)C1	319094168	DBMGUMOFWPRBQR-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CCC(=O)C1CCCC1)C1CCCCC1	380045343	TVDAYRLOKDTKST-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(O)CCCCCC(C)C	383133500	DHHYNFMDGNDTSL-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2CCCC2(C)C)C1	383426979	BAXIMRHIPZGXPC-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC1(CNc2ccc3sccc3c2)CCC1	383634721	XYTIDMPXUPHEGE-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
CCC(CC)[C@@H](NC)c1ccccc1C(C)C	384042503	NAAKZCBDIIDJMX-MRXNPFEDSA-N	233.399	4.507	0	10	BJAE	
CCCc1ccc(N[C@H]2C=CCCCCC2)cc1	384976224	MGGKNHQMOBOGJA-INIZCTEOSA-N	243.394	4.940	0	10	BJAE	
C[C@@H]1C[C@@H](CCC2CCCC2)Nc2ccccc21	393970005	ZNBFZSHXCFRCMJ-UKRRQHHQSA-N	243.394	4.945	0	10	BJAE	
CCCCCC(C)(C)CNCC[C@@H](C)CC	394397669	CVQTXMAVJWCPTJ-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
C[C@@H](C[C@@](C)(O)CC(C)(C)C)C1CCCCC1	395010079	TWXNYZIBAXUHHG-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@H]1CCC[C@@H](C)C1	395130134	QVSHYDAKGFUKSG-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)c1ccccc1)C(C)(C)C	395342078	CEGWINRIAYWWGK-PBHICJAKSA-N	248.410	4.758	0	10	BJAE	
CCCCCCC(=O)c1cc(C)c(C)cc1F	395957693	HVGNJSZCKGYCKQ-UHFFFAOYSA-N	236.330	4.596	0	10	BJAE	
CCc1cc(SC)c(CC)c2sccc12	396177386	LNWWRLQNCZRTEW-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCOc1ccc2c(Cl)c(CC)sc2c1	396184227	BEJGBURUPXSJFQ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc(C(F)F)cc2sc(F)cc12	396220567	SHUWQUDVCDOKDV-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1c(C(F)(F)F)ccc2cc(C)sc12	396295132	CLRCYEHBHFBBLX-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCc1cc2c(C)ccc(C(F)(F)F)c2s1	396303074	LJDWRDOSCZIUMD-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC[C@@](O)(CCCCCC(C)C)[C@H]1CC1(C)C	397592922	KJGLNAHHVIZUER-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCCc1ccc(N[C@H](C)[C@H]2CC2(C)C)cc1	397604495	GXUBJXVTCMAPEF-CZUORRHYSA-N	245.410	4.876	0	10	BJAE	
Cc1scc([C@@H](N)CCCC(C)(C)C)c1C	399888803	VVLVZLGUVNQHNQ-ZDUSSCGKSA-N	239.428	4.581	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)CCC2CC2)cc1	400928118	XZBJPNCJUHHHLT-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCCC1CCCC1	689750726	AFDWDGAYOLSYDC-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C[C@@](C)(O)CC1CCCC1)c1ccccc1	689869447	OZHKSDHCTXMBMA-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
CCc1ccc(NCC2CCCC2)cc1Cl	691250929	JYSKVRFGLGPMNB-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
C[C@@H](CCC1CC=CC1)c1ccccc1	692123313	LXTXALNEHXXFGJ-ZDUSSCGKSA-N	200.325	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@]12CCCC[C@H]1C2	693285994	BMDNCBZWHOEHOO-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)c1cc(C)c(C)cc1C	696160448	WRIUXQMXRNZWTC-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1c(C)cc(C)cc1C	696599377	QFVVGBDLPZUCRQ-OAHLLOKOSA-N	248.410	4.862	0	10	BJAE	
CN[C@@H](CCC=C(C)C)c1c(C)cc(C)cc1C	697774096	ISHAPDJCOKAPOQ-INIZCTEOSA-N	245.410	4.619	0	10	BJAE	
CCc1ccc(CCCC=C(C)C)cc1	698087116	YTCDXGMMDDLNHV-UHFFFAOYSA-N	202.341	4.538	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@@H](C(C)(CC)CC)C1	701146846	WLVUHZXZWDYELP-KFWWJZLASA-N	239.447	4.604	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(N)CCC(C)(C)C	704857298	WCAHWQPAGRJVIL-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C[C@](C)(N)CCC(C)(C)C)c1ccccc1	704867274	ZHXLESOFRSDYHN-WMLDXEAASA-N	247.426	4.724	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@H]1CCCC[C@@H]1C	705006992	SWMLTJPSTDTWCG-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
c1cc(OC2CCCCC2)c2ccsc2c1	705064314	DHYISUDMHJSYSX-UHFFFAOYSA-N	232.348	4.613	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1Nc1ccc(Cl)cc1	709174356	HZEJALXDRPLJJB-BXUZGUMPSA-N	237.774	4.721	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCC(=O)C1)CC(C)(C)C	709216006	XMRNHHHOYUZLEX-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H](C)CC(C)(C)C)s1	709254616	VCKRGUNICPHWOM-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@H](C)C(C)(C)C)C1	711229494	VAKBYFDPMVWMDH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1CCCC[C@H](CC(C)(C)CC)C1	713157750	CGERNHLWWQQNJS-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C[C@]1(O)CCC[C@@H](C(C)(C)C)CC1	713192213	ZBHUIIQUNMVABP-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC1CCC1)CC(C)(C)C(C)C	713269860	VIEIUVXATSSOIL-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCCc1c(F)cccc1Cl	713746696	RKGXBVBOYJUYJS-ONEGZZNKSA-N	224.706	4.544	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(C2CC2)s1	716660097	UKFFUPJKMOSGMB-GFCCVEGCSA-N	237.412	4.596	0	10	BJAE	
CC(C)=C(C)CCNc1ccc(Cl)cc1F	718644052	PIIUGMFFQYEYSZ-UHFFFAOYSA-N	241.737	4.637	0	10	BJAE	
CC[C@@H]1C[C@H]1COc1cc(C(C)C)ccc1C	723090389	AMVWETPVQVLOHU-HIFRSBDPSA-N	232.367	4.543	0	10	BJAE	
Cc1csc(C)c1C(=O)[C@@H]1CCCC2(CC2)C1	724988856	LPYOMYGIOPKRRN-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@]12CCCC[C@@H]1C2	822080316	HANQPAYRYJVKFQ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC23CCC(CC2)C3)CC1	1308357678	KJFCDNMSLFKSOU-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NC1CCC(CC)(CC)CC1)C1CC1	1462173701	GOFHRHJGQYZQTG-HNNXBMFYSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)CCNCCC1CCCCCC1	1462549428	UQODWUGYLHGQBK-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCC1(CC)CCN([C@@H]2C=CCCCCC2)CC1	1473395780	WKRHTUGQIRWNNC-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H](C)[C@H](C)C1)C(C)(C)C	1659822405	HHNPTEADRZQASC-YJNKXOJESA-N	239.447	4.616	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CCC(CC)CC	1900719003	WYWIBKNSXUWADR-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](O)CCCCC1=CCCCC1	1901965307	VTQQSJXVCHZWLA-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@@]1(C)CCCC(C)(C)C1	1909697433	KAEWRWVZXSPZRX-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)C(=O)CCCCC=Cc1ccccc1	1912036949	BDBMIUPVSPCVLB-UHFFFAOYSA-N	244.378	4.875	0	10	BJAE	
CCC[C@H](C)[C@@H](CCC=Cc1ccccc1)NC	1912104260	XTGOQJBXHOSFDU-DOTOQJQBSA-N	245.410	4.504	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1CCC2(CCCCC2)C1	1915883843	FQOGSWOGZPHAHL-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1CC[C@H](C)[C@@H](C)C1	1919977767	WCLNRBXXJJPDFU-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CCCC1CC([C@H](O)CCCCCC(C)C)C1	1921172424	QZUINBQZANNJLV-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@H]1CCCC12CCC2	1921616837	CJMDIVRAPLHIGD-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C1CCC(CCCNC2C[C@H]3CCC[C@H](C2)C3)C1	1923480559	OFPORTXGQNYMPF-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H]2C=CCCCC2)C1	1925763978	UGEMICPUNUVMHW-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
Cc1cccc2c1ccn2C[C@H]1C=CCCCC1	1925794146	MRCTXRPYORGHEN-HNNXBMFYSA-N	239.362	4.696	0	10	BJAE	
Cc1ccc(Cl)c(C[C@H]2C=CCCCC2)c1	1925853993	JFJZOXWYZFYWQX-ZDUSSCGKSA-N	234.770	4.937	0	10	BJAE	
CCC[C@](O)(CCCC1CCC1)C(C)(C)C	1936349178	OSUNKZVCTJVTSH-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)NCCC1(C)CCCCC1	1937892396	YBTIDXPEJBGMNO-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC(=C[C@@H](C)CC(C)(C)C)c1ccc(N)cc1	1940968099	RUVOLGVDIWGREC-GFCCVEGCSA-N	231.383	4.744	0	10	BJAE	
CCC(C)(C)CC(=O)c1cccc(C2CC2)c1	1941530632	LMCMXHODVLDHSA-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
O=Cc1cccc(SCCCCCC2CC2)c1	1941588272	ZZPNDIQNIHHWPX-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC[C@@H](CC)NC1CC2(CCCCC2)C1	1941801089	YEVTVXPEIQUFCH-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
C[C@H](CC1(N)CCC2(CCC2)CC1)C(C)(C)C	1944601394	DJZFMLKTHKCGOY-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C1CCCCCC1)C(C)(C)C(C)C	1944667199	ZZPMRGLSDFFTHQ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
Cc1coc(C)c1C(=O)C[C@H](C)CC(C)(C)C	1947518819	FRCYAPFIODOUMZ-JTQLQIEISA-N	236.355	4.542	0	10	BJAE	
Clc1ccc2oc(C[C@@H]3C=CCCC3)cc2c1	1947562047	NAHCMEPAJYRCTP-LLVKDONJSA-N	246.737	4.985	0	10	BJAE	
Clc1ccccc1N[C@@H]1CCCCC12CCC2	1947880014	UOASHQRPUVFNOJ-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cccc(C2CC2)c1	1948284885	BAWMKTLQHKUROF-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
Cc1c(F)cccc1N[C@@H](C)[C@@H](C)CC(C)C	1948324467	AAMADTWHJRYVGP-AAEUAGOBSA-N	237.362	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CCCC2(C)CC2)C1	1949052298	VKHSBVPLINEOGI-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](C)(O)[C@H]1CCC2(CCCC2)C1	1949450630	FHCGARIGHBOREM-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](CC[C@H](C)CC)CC1CCCCC1	1949923450	QQPCYSFBYINBLD-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@@H]1CC12CCCCC2	1950604755	MXUWAQLTLPHHAA-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@H]1CC12CCCCC2	1950612446	MDUUITGGYRNCAC-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC[C@]1(CNC(C)C)CCCC(C)(C)CC1	1950916955	CIXDUEHABAOPLX-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCC[C@@H](C)CC1)C(C)(C)C	1950925675	VOONXXPWNLLUHR-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CC=CC[C@H](C)c1cc(C)cc(C)c1OCC	1951308250	CIFRQSALBRROQL-ZDUSSCGKSA-N	232.367	4.772	0	10	BJAE	
Cc1ccc(NC[C@H]2CCC3(CC3)C2)cc1Cl	1968265413	JZUPAQISBLNTKG-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
Cc1ccc(C)c(OCC2CC(C3CCC3)C2)c1	1968308589	YAZCLZJHOULPPU-UHFFFAOYSA-N	244.378	4.509	0	10	BJAE	
CCCSc1ccccc1NCCC(C)C	1975969929	YQLXKYYYBZXPGA-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CCCC1CC(Nc2cc(Cl)ccc2C)C1	1984692501	OYYYKCTXGKJVQR-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@H](C)C(C)(C)C	1986938967	QKLYGNVITVKRMA-ZFWWWQNUSA-N	228.420	4.636	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@H](C)C(C)C)C(C)C	1988303301	SOCCUWNKAKKEHB-KBPBESRZSA-N	226.404	4.556	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)C(C)(C)CC	1989802695	GJGRPKGWKQRIDC-DZGCQCFKSA-N	228.420	4.780	0	10	BJAE	
CCC(C)(C)c1cc2c(F)ccc(Cl)c2[nH]1	1989862918	XEKLHVCYASIBHB-UHFFFAOYSA-N	239.721	4.648	0	10	BJAE	
C[C@@H](C[C@](C)(N)C1(C)CCCCC1)C1CCC1	1995976085	UBXGOBODDYWSPO-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)C12CCC(CC1)C2	1995988614	PIUSLCUQWLHATL-QRNKSROTSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@H](C)CC(C)C)CC1	1997108177	GYNZQDMJFWFZSG-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNCCCC(C)C)CC1	1997213944	HLDNVGSEWCOJTN-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC1CC([C@@H](C)Nc2ccccc2C(C)C)C1	1998658574	SPTVOQXIMZIHOB-ROKHWSDSSA-N	231.383	4.657	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CCC2CCCC2)C1	2000144595	YKUJKPPQDBKKDB-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC(C)(C)C(C)C	2000294344	RQIHVGPCAFIRRR-DZGCQCFKSA-N	236.399	4.620	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@H](C(F)F)C(C)(C)C	2002433930	AQRZLNDMNLVOQV-WDEREUQCSA-N	248.357	4.555	0	10	BJAE	
CCCCCN[C@@H](C)C1CCC(C(C)C)CC1	2002928765	ZQNGTSPPZJIDMB-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@@](C)(O)CCCC2CC2)CC1	2002930671	XOVHZVKDBSBZSJ-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(N)[C@@H]1CCC[C@@H](C)C1	2002998372	KSJXPEXOHDKVIS-QXSJWSMHSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CCCCCCC[C@H]2N)C1	2003111181	JOULGONIQMGBCG-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CCCCCCC[C@H]2O)C1	2003119463	VNUUVCFQEHMDMT-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCC[C@@H]1CCC	2004706750	QCLRQRHNUHXPBP-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC1(C(=O)CCCC2CC2)CCCCCCC1	2004941794	LHVOUNXUPZDONH-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(C)(C)c1csc([C@H]2CCCCC23CC3)n1	2005568404	YROHOLLPLDRXSM-LLVKDONJSA-N	249.423	4.878	0	10	BJAE	
CC=C(C)[C@@H](C[C@@H](CC)C(C)(C)C)NCCC	2007857413	CAOQLMWUAJRHAI-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@@H](C)CC(C)(C)C	2007947225	QSOWLSMAUYKSGZ-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCC1(CC)CCC(N)(CCC2(C)CC2)CC1	2009550792	BPILQPQYHWWTSM-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(CC)CN(C)CCC(C)(C)C1CC1	2011177158	BMQHRWRIQDBJKV-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCC1CCC(N)(CCC[C@H]2C[C@@H]2C)CC1	2011575244	BDWYHBFLQDMRDV-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](CCC[C@H]1C[C@H]1C)NC	2011584972	XJAMVKPKWOGEBT-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC(=O)C(F)(F)C1CCCCC1	2012956607	GMMFELZGLQQZNY-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
Cc1ccccc1NC1CC(CC(C)(C)C)C1	2014653936	YCLJTNAXXGBBKC-UHFFFAOYSA-N	231.383	4.622	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C[C@H](C)C(C)C	2015275695	RWFHJAHHHMTNDO-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC(C(C)C)C(C)C)NCCC	2015290394	JTKHGWDXHYNFLE-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)CC1(C(C)C)CCC1	2017111599	CSOCZOLFRNBWTE-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2CCC[C@H](C)C2)CCC1	2017123436	AOMGLIBHSHCRPY-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)C2CCCCC2)CC1	2017654491	FCFDZSQBZQUWHA-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)NC1[C@@H](C)CCC[C@@H]1C	2018074069	FIFQMZIZJYADBP-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@@H](C)C[C@H]1C	2018138346	FZYKSLBDBBVASN-LVQVYYBASA-N	239.447	4.760	0	10	BJAE	
Cc1cscc1CNc1ccccc1C1CC1	2021027000	MKQHHILADALAMD-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)[C@H]1C=CCC1	2023257799	XEHVCWZEPWWTFI-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1CC(C)(C)C1(C)C	2025021837	VJVZXHQCJIVMAL-OLZOCXBDSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(C[C@H](C)CC(C)(C)C)C1	2025621883	OFPJYMUAZZDPDR-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CC(C)c1ccccc1CC(=O)[C@@H](C)C(C)(C)C	2027508281	DNTXSNLHWATICX-CYBMUJFWSA-N	246.394	4.604	0	10	BJAE	
CCc1ccc(CC)c(C(=O)[C@@H](CC)C(C)C)c1	2028253429	WPWXVMJXUYLNSF-HNNXBMFYSA-N	246.394	4.676	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2CCCCCC1CC1	2028632138	WAVQDWGXYPJKGJ-HNNXBMFYSA-N	243.394	4.946	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@]23CCCC[C@@H]2CCC3)C1	2031797306	CQQSYTWSDANZOM-ALYAQQCSSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNc1ccc(C2CCC2)cc1	2032514406	MMFUWYBQSAGWRB-CZUORRHYSA-N	243.394	4.802	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@H]2CCC(C)(C)C2)c1	2033389086	UKNKKOJSQHSUOX-CVEARBPZSA-N	246.394	4.670	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CCCC2(CCCCC2)C1	2033450814	MTTASUCNRSFIHZ-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@@H](C2(N)CC(C3CCCCC3)C2)C1	2033783944	OEBRXCXWYZEJEY-CRYBEJKASA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2C=CCCC2)cc1	2035555995	OIKDVVWJMNEMGP-GJZGRUSLSA-N	244.378	4.935	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C[C@H]1C=CCCC1	2035575831	KOKNITAERPEIQS-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(CNC)(C[C@H]2C=CCC2)CC1	2035591764	XAJXAOYEUYXFAY-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
NC[C@@H]1CCCCC[C@@H]1[C@@H]1CCC2(CCCC2)C1	2037694614	NQPVYBGZYFBEEZ-OWCLPIDISA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)[C@@H]1CCC2(CCCC2)C1	2037706948	ZJFVWTQIMRMZPW-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC[C@]1(C)C[C@@H]1NC1CC2(CCC(C)(C)CC2)C1	2038935635	VVUANKGHSXZVGY-GOEBONIOSA-N	249.442	4.514	0	10	BJAE	
CN(C[C@@H]1C=CCCCC1)CC1(C)CCCCC1	2039860517	WELZPSJETHAINM-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1ccc(C2(C)CC2)cc1	2040719397	NAJHYKJPWDYBMC-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)c1ccccc1C(C)C	2040723311	IHVDTNQQAMHJEE-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)C(C)(C)C1CC1	2045316681	GJNSLRKFEPOVPA-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@H]1CCCC[C@H]1CC	2045799437	MBFVYAUAGGDJBX-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC12CC2)C1(C)CCCCCC1	2045799941	QJKSTCPFTNNNCO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C1(CCC)CCC1	2045813189	NTLPIFRAXKAUTD-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC(C)(C)c1ccccc1O[C@@H]1CC[C@@H]2C[C@@H]2C1	2047346058	GZSGBFKNNYREGU-MGPQQGTHSA-N	244.378	4.552	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC[C@@]2(C)CC=CCC2)C1	2047716346	SZECZGBMYHFSMO-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H]1CC[C@H](C)CC1	2049639077	YLOQMKMERSHTQB-ULQDDVLXSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)C1=CCCCC1	2049796187	VWGAQDZNINVVJU-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@H]2CCCC3(CC3)C2)[C@@H](C)C1	2049947057	CNAAIQDDUOCJAH-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@]1(C)C=CCCC1	2049995798	BREWAAPBEWHOQX-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
O=C(CC1CCC=CCC1)C1CC(CC2CC2)C1	2050217578	SOLXVZALQVMVSU-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
C[C@@H](C[C@H](N)C1(C)CCC2(CC2)CC1)C1CCC1	2056556880	NMCNWOAHSMVGFY-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)C1(C)CC=CC1	2056646132	RROVIEKRMXVXLV-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2058991522	KNTPIVMCNJZZGN-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@@]1(CNCC)CCCCC12CC2	2059252563	JENGRQJNTNZCOL-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C)CC1)C1(C(C)C)CC1	2060923154	WKSUUFSXOSHXRR-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](NC)C2=CC[C@H](C)CC2)C1	2060924559	FURUBMXQPXGPMM-FSDCSDTHSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2061092353	PMHSUQOEBWYMLI-OEAJRASXSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC=C(C[C@@H](O)c2ccc(C)cc2)CC1	2061097746	DUWIJNCZXDCIHM-WMLDXEAASA-N	244.378	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC[C@@]23CCC[C@H]2C3)C1	2061575292	QWUYWRGUQGMCGS-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC(C(=O)CC2CC(=C3CC3)C2)C1	2061696152	MPFGBXLJSIPBEH-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)c1ccc(C2CC2)cc1	2062638028	NJFHWXSHYWXBMA-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CCc1ccc(N[C@H](C)C2CC3(CC3)C2)cc1C	2064498758	VTCCWEXIXODBPW-CYBMUJFWSA-N	243.394	4.548	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC12CCC(CC1)C2	2065338074	QCTGUCURNDENRT-PREGVCBESA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H]1CC[C@](C)(CC23CCC(CC2)C3)C1	2065340680	YHUYRHKWPGCGMR-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CC[C@H](Nc3cccc(C4CCC4)c3)[C@@H]1C2	2065658650	USHDOIXPQDRADL-YESZJQIVSA-N	241.378	4.555	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068719199	MQPUUXPHUSBPCC-ARLBYUKCSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1ccc(C(C)(C)C)cc1	2068984187	LUVIAVCBEIRSPZ-CYBMUJFWSA-N	246.394	4.849	0	10	BJAE	
CCCN[C@H](C[C@]12CCC[C@H]1C2)C1(CC)CCC1	2070863751	CVUSFWJSCMCFKL-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@@H](N)C2(CC3CC3)CC2)CC1	2072796955	ULRRIHLIPLRDIP-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@]2(N)CC[C@@H]2C2CCC2)CC1	2072806416	LTMNXAVBIBOMOC-GMGZGELVSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@H](N)CC2=CCCCC2)CC1	2072810709	YGQYOSANNBYLHS-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CCCC1(C[C@H](NCC)C2(C3CCC3)CC2)CC1	2074647774	BDUJZQGIEBMTRT-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@H](N2CCCCC23CCCC3)CCCCC1	2074810822	RRWZUNDDBRCVNO-INIZCTEOSA-N	247.426	4.674	0	10	BJAE	
CCc1ccc(N(C)CCCCCC(C)C)cc1	2075147523	WCXJSGTUHMGHPT-UHFFFAOYSA-N	247.426	4.902	0	10	BJAE	
CN([C@@H]1C=CCCCC1)[C@@H]1CCC2(CCCC2)C1	2075400729	GEEVYXBFTWAYID-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1C[C@H]2CC[C@H]1C21CC1	2078341092	VTACHCCOZKHZBK-KLHDSHLOSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C1=C[C@H]2CC[C@H]1C2)C(CC)(CC)CC	2081680254	XSICWLGZPHVZNK-OFQRWUPVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2CNC23CCCCC3)C1	2082978516	HQEZFEUHZFWUAZ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CCCCC1CC1	2211101901	JKRIDPHRHHVXQQ-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
C[C@H](CCCCCCCC1CC1)C(C)(C)O	2212445546	CHXJWZIEGAUIOE-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)C[C@@H](C)CC	2212590363	VUAOSIDUKVHZFR-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
CC1(C)CN[C@@H](CCCCCCCC2CC2)C1	2213573922	MVQWDMJAALOACN-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
N[C@H]1CCCCC[C@@H]1CCCCCCC1CC1	2213576261	OGNMNCMMVGYXRU-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C(C)(CC)CC	2214576294	BDYZCJQUVSDVOJ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@@H]1[C@@H](C)[C@H]1C	2214998071	XUJYUBPCMUUEEW-YABSGUDNSA-N	247.769	4.505	0	10	BJAE	
CCCN[C@H](CC)CCC1(C)CC2(CCC2)C1	2215401688	QWMKWMGWCULIPU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC1(C)CC(C)(C)C1	2215459921	BEIGFAXBKQENGY-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CNC1CCC1)[C@@H](C)CCC(C)C	2217129365	KJPVMMFAENLEOX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)CC[C@H]2CC[C@H]1C2	2218719894	CPVRHEAZGZZCCV-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1ccccc1C1CCC1	2220922436	BABVWESBBZOGAS-ZFWWWQNUSA-N	243.394	4.802	0	10	BJAE	
CCC1CCC(N(C)C[C@@H]2CC=C(C)CC2)CC1	2221610599	USEFYMGZEYTTER-AQFXKWCLSA-N	249.442	4.633	0	10	BJAE	
CCCCC[C@@]1(CNC2CCC2)CC=CC[C@@H]1C	2223538876	GIAPNEQZXJIFLG-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C)C(=O)Cc1ccc(C2CCC2)cc1	2223634563	LYLRFCMWVWEJTK-CYBMUJFWSA-N	244.378	4.502	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)c1cccc2ccoc12	2224156285	JBNWSUDTJJCVIA-WFASDCNBSA-N	245.366	4.505	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1cccc2ccoc12	2224187283	KYMMLILFEAEUCZ-OAHLLOKOSA-N	246.350	4.683	0	10	BJAE	
CCC[C@@H](CC)CNC1(C)CCCCCC1	2244797462	QABUGEPDWGZVAW-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC1CC(C)(C[C@H]2CCCCCCCC2=O)C1	2246531167	SBJAKPREYHPHRY-NPCAHTBFSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCCCC[C@@H]2N)C1	2246657272	RBAHOEDABFNBKG-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)CCCC[C@@H]1C[C@@H]1C	2247161172	YZWVZJAMXPMHDK-ARFHVFGLSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1CCC1(C)C)NC	2247306814	KTGAPYNICJNDQD-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](CCCCC[C@@H]1C[C@H]1C)NC	2248805713	CMHMHIAKSLSXCS-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCCC(C)(C)NCCCCC[C@H]1C[C@H]1C	2248865929	MMRYSSBOCMPKOS-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1CCCCC1)NCC	2250358277	LJUWJVJDLWWSMP-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C1=CC[C@H](C(C)C)CC1	2250390244	QWYYXICGFVWGRH-YCPHGPKFSA-N	237.431	4.523	0	10	BJAE	
Cc1ccc(C)n1CC[C@@H](C)CCCC(C)C	2250527932	KWONAEDIOJQMPA-AWEZNQCLSA-N	235.415	4.957	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@H](C)C(C)(C)C	2250531411	XRTJIWBCMHDTLP-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC[C@@]12CCCC[C@H]1CC2)NCC	2251192966	CUGZZNCWLJOORS-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CC1CC(C[C@@H](N)CC[C@@H]2CCCCC23CC3)C1	2253782132	HVHBWMQXONFMNQ-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](NCC[C@@H]2CCCCC23CC3)CC1	2253881552	QQTMRASWYXLWDL-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](N)CC[C@@H]2CCC[C@H](C)C2)cc1	2253932253	AWLLHXDLFKCWCM-ZOBUZTSGSA-N	245.410	4.601	0	10	BJAE	
Cc1ccc2c(ccn2CCCC[C@H]2C[C@H]2C)c1	2254517977	AZBLADULSPOEBN-CABCVRRESA-N	241.378	4.776	0	10	BJAE	
Cc1oc(C)c(C(=O)CCCC[C@H]2C[C@H]2C)c1C	2254607040	HEUPGXXQSAVQJX-YGRLFVJLSA-N	248.366	4.604	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2CCC23CCC3)CC1	2254948085	XLJLYGILSWTFFZ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@]1(N)CC1=CCCCC1	2255132910	MOMXZNPABNYNCF-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
C1CCCC(CNCC[C@H]2CCCC23CC3)CC1	2255222164	JCCDAUVYJSGONG-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2CCCC23CC3)CC1	2255327188	PZBBEBMKPGTSEB-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc(C(=O)CCCC2(C)CC2)cc1	2256253242	OEIIWOYQCQEHAZ-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCC[C@@H]1CNCCC1=CCCCC[C@H]1C[C@@H]1C	2257253584	CPYXJLJTYXYBHA-BHYGNILZSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cc(C2CC2)ccc1F	2259127119	PXQRMKNSXIAQOU-AWEZNQCLSA-N	247.357	4.694	0	10	BJAE	
C[C@H](N[C@H]1CC(C)(C)CCC1(C)C)C1CC=CC1	2261397114	FEWISWGDWZPDSF-ZFWWWQNUSA-N	249.442	4.536	0	10	BJAE	
CC(C)CCC[C@](C)(N)C1=CCCCCCC1	2300496585	LQOUBTILNDBXMO-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)[C@@H]1CC1(C)C	2300675506	FXSMFBKBWHVGJA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(=CC[C@@H](O)[C@H](C)C1CC1)CCCC(C)C	2300928159	CCWFQEZNEUJJAV-GDBMZVCRSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@](CC)(C(=O)O)[C@@H](C)[C@H](C)C(C)C	2301958188	IKWIXBPWQPKMDJ-IPYPFGDCSA-N	242.403	4.586	0	10	BJAE	
CCCC[C@H](CC)NCCCC1=CCCCC1	2302316112	ROENWBRYCZADJX-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C[C@@H]1CCC(C)(C)C1	2302715127	CSOQGIYCQJEXHD-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@@H]1CCC(C)(C)C1	2302904533	JOXBFMQVYBMLGO-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@H]1CC[C@H]1C(C)(C)C	2303490762	SWQSECMNHBZBTG-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
COc1cccc(C)c1N[C@H](C)CCCC(C)C	2313572563	PKXRUHDHMLHZMK-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C(CC2CC2)CC2CC2)CC1	2313660218	IYIWKMUXLYARKG-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@H](C)[C@@H](C)C(C)C	2317828006	OZVPBKNEIYLAJG-JJRVBVJISA-N	247.426	4.738	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H]1[C@@H](C)[C@@H]1CC	2317978100	ZBEKLWCTEKWVHL-QMCVQRASSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](CCCC1=CCCCC1)NC	2318575599	HAKPXQHNKPJIEH-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)CCC1CC1	2318583183	MJGMVULBHMVSOJ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C[C@H]1C=CCC1	2318872030	KLYYIEXWGFFAQN-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC[C@@H]2C[C@@H]21)C1(C)CCCCC1	2319450656	KBQZVGODZPXJEA-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCC1CC(CC(=O)CC[C@@H]2CC[C@H]2C2CC2)C1	2319691041	WYYPNAYMDVOXOG-SGALNCENSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CCCC23CCCC3)CC1	2320412633	KIESBWOKKGMZRB-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CCc1cc(F)cc(NCCCC[C@H]2C[C@H]2C)c1	2321074215	KDYDZZIMRNLFQI-OCCSQVGLSA-N	249.373	4.626	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CN[C@@H](C(C)C)C2)CC1	2321274437	NLOJSSTWTDNSMN-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccccc2C(C)C)o1	19907255	GKHMRZNFXKSZKY-CYBMUJFWSA-N	243.350	4.885	0	10	BJAE	
CCCC[C@@H](N)c1ccc(-c2ccccc2)cc1	20012439	MHSNJZUGDPPPSJ-QGZVFWFLSA-N	239.362	4.544	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2ccccc2C)c(F)c1	20371684	YJSDKYSDWNGJDT-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(OC(C)C)cc1	20472722	LERNHQBYVICEJN-CQSZACIVSA-N	249.398	4.855	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1NC(C)(C)CC(C)(C)C	37100673	ZTHXZWMKCXMGIS-CHWSQXEVSA-N	239.447	4.616	0	10	BJAE	
CCc1ccc([C@@H](CC)NC2CCCCC2)cc1	37223551	IRERTRHPTIXEKR-QGZVFWFLSA-N	245.410	4.622	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](CC)c1ccc(C)cc1	37295947	UYSIHLUKEIERAC-ZBFHGGJFSA-N	233.399	4.614	0	10	BJAE	
CSc1c(-c2ccccc2)[nH]c2ccccc12	38284608	RYTPYEWKINNQPB-UHFFFAOYSA-N	239.343	4.557	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1CCCCC1	82434238	LNIYOPFGCGAGLS-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(-c2c(C)cccc2Cl)cc1	85389076	GLNUQWPLPNCHCQ-UHFFFAOYSA-N	216.711	4.624	0	10	BJAE	
CC(C)=CCC[C@H](C)[C@@]12CC=C(C)[C@@H]1C2	85599777	UCQHFDKBUHCAFR-KKUMJFAQSA-N	204.357	4.725	0	10	BJAE	endogenous,in-man
CC[C@H]1CCC[C@@H](NC2CCC(C)CC2)CC1	86893780	XTDKGWSPEVYBPG-PWUWZPNHSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1ccc(C(C)(C)C)cc1	87175958	MZSGLLOBNTXGHN-HNNXBMFYSA-N	248.410	4.844	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)C1CCCCCCC1	87690238	OZLMAAYVPCQKJM-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCC1CCC([C@H](CC(C)C)NCC)CC1	87963854	WXTWGAXDEZMWPS-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCCCC2(C)C)C1	94279779	GIVKYQVLBRSNTK-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCCc1ccc(C(=O)C2(CC)CCCC2)cc1	94899017	OBTBQKRBPVUOEN-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)c1ccc(C)o1	104020409	UKUZQGQXJMQUOI-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
Cc1ccc(F)c(NC2CCC(C(C)C)CC2)c1	109766794	YUONDSHNUKEVIT-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(C)cc1OC	109915406	FGYRKHMPQSIRNA-TZMCWYRMSA-N	249.398	4.630	0	10	BJAE	
CCC1CCC(N[C@@H](C)c2cc(C)oc2C)CC1	109928463	BJASQFRXJFNUIP-GRTSSRMGSA-N	249.398	4.516	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCCC(C)(C)C)CC1	123936222	XDYWXHWQSDZZIA-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](NCC)c1cccc2ccsc12	163303546	VAYWSVGDBWISIU-CQSZACIVSA-N	247.407	4.742	0	10	BJAE	
CCCCCC[C@@H](O)c1cc2ccccc2s1	168236641	KWIFXUSGBOOZGZ-CYBMUJFWSA-N	248.391	4.905	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1NC1CCCCCC1	214411697	CIODKWCFYRYYBC-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@@H]2CCC[C@@H](C)C2)CC1	226526190	VJMRCZKNWVEUOC-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)c1ccc(C)c(C)c1	229330327	IBIYPSGRMSRCSY-PVAVHDDUSA-N	245.410	4.520	0	10	BJAE	
Cc1cc(N)cc(-c2ccc(C3CCC3)cc2)c1	232055330	AMRXYGKMHUVZNF-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1ccc(Cl)o1	232990990	ZNLDEPLAPKPKSP-QWRGUYRKSA-N	244.762	4.573	0	10	BJAE	
CC[C@@H](C)[C@H]1CNc2ccc(C(C)(C)C)cc21	233873194	RNWMYSQWSRCANR-BXUZGUMPSA-N	231.383	4.539	0	10	BJAE	
Cc1cc(Cl)ccc1[C@H](O)CCC(C)(C)C	235766152	MRNJCMNXMAYDLY-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
Clc1ccc2c(c1)[C@H](CC1CCCCC1)CN2	236068827	NGNGAZSLENSHAO-GFCCVEGCSA-N	249.785	4.820	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1ccc(Cl)s1	300886372	JLOCAFBCWPTEMM-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
CC1(C)CCC[C@H]1[C@@H](O)CCC1CCCCC1	302252411	LFTQQFAOYMIKFC-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(C)c(F)cc1Cl	304346018	JTASZVWGFURSOI-SNVBAGLBSA-N	243.753	4.778	0	10	BJAE	
CCCN[C@H](CCC)CCCCC1CCCC1	306002952	VNVOITQJBSWSQO-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)CCCCCN[C@@]1(C)CCCC[C@@H]1C	308689961	FGPFRKJKKIYZIX-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](NCC(C)(C)C1=CCCC1)c1cccs1	308756684	NTIJLHHQKNOZGB-GFCCVEGCSA-N	249.423	4.535	0	10	BJAE	
Cc1ccc(Sc2ccc(C)cc2F)cc1	309345987	KRJQHTUHSUTAIZ-UHFFFAOYSA-N	232.323	4.594	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1csc2ccccc12	318909825	SGNVOSIMMTWYLG-ZIBATOQPSA-N	248.391	4.617	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](CC2(C)CCCC2)C1	380134400	FBQMDXHJFOTKFY-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCC/C=C1\CCc2cc(N)ccc21	383253196	WRWWHNPOXHATRP-VGOFMYFVSA-N	243.394	4.815	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCCCC2(C)C)CC1	383439708	DJPCGDRGIRUZHZ-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H](O)c1sccc1F	383470824	CNWGVCPPAADXRL-GFCCVEGCSA-N	244.375	4.527	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2CCC(C)CC2)C1	383604661	RDRGVANJXIEQEF-BHDPWAOGSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCN[C@@H](C)CC(C)(C)C	384678613	SXUFHRHZBDDRES-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CCC1=CCCCC1	384974053	PQZODYFVTWPKJG-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H]2CCCC[C@H]2C)c1	385039871	RASRJRXNSVPQMK-CZUORRHYSA-N	244.378	4.648	0	10	BJAE	
CCC[C@]1(CCC2=CCCCC2)CCCCCN1	385219510	RKDILVMFXAKFJS-QGZVFWFLSA-N	249.442	4.970	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)CCC1CCCCC1	387658364	GQGCXLAFYUYADK-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)CNCCC1CCCCC1	391176475	NQKBGJNVPNENEO-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@](O)([C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)(C)C	395413087	IUDXTKOGHVWLIN-NHIYQJMISA-N	240.431	4.636	0	10	BJAE	
CCC[C@](O)(C[C@H]1CCC[C@H](C)C1)C(C)(C)C	395414476	JGDRHUCGDHCQAD-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCCCCC/C(C)=C\[C@H]1CCCC(=O)C1	396148297	HAEXJMXMUJADNR-YBEMTRGBSA-N	222.372	4.662	0	10	BJAE	
CSc1c(F)sc2cc(C(F)F)ccc12	396232381	BZPZILVZBCHESV-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1cccc(CC)c1NC[C@@H]1CC=CCC1	402380434	YCPJQGMXPOSVEG-CQSZACIVSA-N	243.394	4.580	0	10	BJAE	
Cc1cccc([C@H](C)N[C@@H](C)CC2CCCC2)c1	689713896	CTJMCLXXXVKHFV-GJZGRUSLSA-N	245.410	4.614	0	10	BJAE	
C[C@@H](CC1CCCC1)NC1CCCCCCC1	689804431	DFGVPBIMOOHTLO-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
C[C@@H](CC1CCCC1)NCCC1CCCCC1	689808984	OVZYKSKQEMHKPV-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC[C@](C)(O)CC1CCCC1	689852646	CCEHJKQNLVYSAU-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CCC(C)(C)CC)C1	696703895	OWXCPIZTVUYECT-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C(C1CC1)C1CC1	697772407	QIZQFWJPDXTDRB-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@]2(N)CCCCC2(C)C)c1	701538952	OJZPXLFMEMTEJN-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC1(CNCCCC2CCC2)CCCCCC1	701769738	GZYISWLFRQEVKS-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC[C@](N)([C@@H]1CC[C@H](C)[C@@H](C)C1)C(C)(C)C	704909670	BANXLOBSQWELOE-AYDFFVQHSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@H](Oc2cccc3sccc23)C1	705077671	RYFHCPZOUDKZIB-RYUDHWBXSA-N	246.375	4.859	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@H](C)CC(C)(C)C)cc1C	708255485	AUUJCLCNNAGLGW-ZBFHGGJFSA-N	247.426	4.684	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)[C@H](C)CC(C)(C)C	708257424	PQIOJRDPKHZTPM-HZSPNIEDSA-N	241.463	4.719	0	10	BJAE	
Cc1ccccc1[C@@](C)(N)C[C@@H](C)CC(C)(C)C	709139202	BQOZBWNXIQZQIT-GUYCJALGSA-N	247.426	4.631	0	10	BJAE	
CC[C@](N)(C[C@H](C)CC(C)(C)C)C(C)(C)C	709208092	XNIRDQYKAVYSSZ-DOMZBBRYSA-N	227.436	4.602	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(N)C[C@@H](C)C(C)(C)C)c1	710756472	CDUCIEPTKMUTLP-PBHICJAKSA-N	247.426	4.550	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC(C)(C)C(C)C)C(C)C	713143811	WVIZJVFKRSQMNB-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)c1coc2ccccc12	713172672	VCMFPPGMKBOGKJ-AWEZNQCLSA-N	246.350	4.539	0	10	BJAE	
CC(C)C(C)(C)CCc1ccc2c(c1)CCCN2	713176417	XNYRAINFUAUSCH-UHFFFAOYSA-N	245.410	4.660	0	10	BJAE	
CC1(C)CCCCC[C@]1(O)C1=CCCCCC1	719273565	OQQOGYXJGCUPSZ-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1c(C)csc1C	724960296	CJPRUYONLPMZSV-JSGCOSHPSA-N	239.428	4.581	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@]23CCCC[C@H]2C3)CC1	822062077	AMMCBIRWRPHIJB-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C1=C(CCN2CCC3(CCCCC3)C2)CCCC1	1191205276	ZTCXXRXABYTMRY-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
C=C/C=C\CCN(CC)[C@H](CC)c1ccccc1	1459397779	JOJIFVDEXYFLJQ-ZPUOCTKUSA-N	243.394	4.592	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNC1CCC(C)(C)CC1	1655696132	FZBDTYSAYFLIGU-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CCNCCCCCCC(C)C	1900823163	NTTMZCUHDDGUBA-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CCCCC[C@H](N)CCCC1=CCCCC1	1901969540	AESHFOCTPIAGKU-HNNXBMFYSA-N	223.404	4.565	0	10	BJAE	
CCCCCC1CC(O)(C[C@@H]2CCC[C@H]2C)C1	1908084275	KPBFJWCFLPHKQZ-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@@H]1C[C@H]1C(C)C)C(C)C	1910796308	VJFDIPDTRUKTTK-KKUMJFAQSA-N	238.415	4.556	0	10	BJAE	
CC=CCCc1ccc(SCCC)cc1	1911970913	OGSAKEGSBJEVLE-UHFFFAOYSA-N	220.381	4.697	0	10	BJAE	
CCCCCC[C@@](C)(N)c1cc2ccccc2o1	1920447151	ZZOUERJCLMKSTH-MRXNPFEDSA-N	245.366	4.577	0	10	BJAE	
CC(C)CC(O)(CC[C@@H]1CC1(C)C)CC(C)C	1921551191	YOCJHOZEWUNNAV-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CCCC1(N)C[C@H]2CCC[C@@H](C2)C1	1923477676	YJFATMCIWPFLMA-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@H](C)C1CCCC1	1924099743	SSXUEQRKRWPPME-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
Cc1[nH]c2c(C)cc(Cl)cc2c1CC(C)C	1936020125	IQOYBPXSZYITNB-UHFFFAOYSA-N	235.758	4.637	0	10	BJAE	
Cc1cccc(OCC2(C)CCCCC2)c1C	1940383941	XDHRXHPVCCCTOI-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
C[C@H](CC(=O)c1ccc2sccc2c1)C1CC1	1940724043	YYQVCXGMUKMDFY-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
CC(C)C1CCC(N)(CCCC2(C)CC2)CC1	1940879915	FCTPZOGXABRXDJ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C(=O)CCC[C@@H]1CC1(C)C)C(C)C	1941261359	QXYDAIOUHYSVOO-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CCCCCC(C)C	1941267028	NDHKIKRXPNEETN-CVEARBPZSA-N	241.463	4.993	0	10	BJAE	
CC(C)(C)CCCNc1ccnc2ccsc12	1941500600	NGMBVECBTVSCCO-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
Cc1cc(C(=O)CC2CCC=CCC2)sc1C	1941792022	WCNXLTGERHWYME-UHFFFAOYSA-N	248.391	4.684	0	10	BJAE	
CCCC[C@](CC)(C(=O)O)[C@@H](C)CCC(C)C	1942550210	JKRFGHISDGBASN-ZFWWWQNUSA-N	242.403	4.730	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@@H](C)CCC(C)C	1942657760	OOBZPMFWPTXSCX-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@](CC)(CNC)[C@@H](C)CCC(C)C	1942658151	PFGUIVKTHYLJLZ-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CCCC(C)(C)C)C1	1943046659	LVPWIYDORUSDBJ-WDNDVIMCSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CC(C)(C)CC2(CC2)C1	1943082755	WPLBIAXSRLNAJT-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@H](O)[C@]12CCCC[C@H]1CCC2	1944148912	VOGFQAGLZUZOEA-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)C(C)(C)C1CCCCC1	1944619016	SJXVOYCQUWNMHO-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC(=O)C(C)(C)C1CCCCC1)C1CC1	1944643426	YQEMMCYFGSFGJM-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@H]1CCC(C)(C)C1	1945578845	KDJDSOAKNFJAEH-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](O)[C@H]1CCC(C)(C)C1)CC(C)(C)C	1945589251	WVHNDDUZDSBJCK-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cccc(C)c1F	1947456265	DAFXNPZDDLQTBF-CHWSQXEVSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)CC(C)(C)CC	1947575626	ITKLXOMSHJEGDO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](CCC(C)(F)F)NCC	1947989315	XQDKLMBQKMBKPH-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCCCC1CCC(C(=O)C2CC(C)C2)CC1	1948253707	FAMFHNRYCYLLJO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(N)[C@@H](C)CC(C)C)C1	1948325111	FGVMUWVCDSGXEY-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCCCCCC1CC1)C(C)(C)C	1949833753	ZDDNUDGDCWJPDW-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](O)CC2(C)CCC2)CC1	1950913969	LYCMVCBTMDFAQZ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC12CCC(CC1)C2)NCCC	1950960373	WNRBPOVTDJQICY-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CN1CCCC12CCCC2)C1CCCCC1	1962948721	PQVBVNWLBVOSDK-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(OC[C@H]2CCCC(C)(C)C2)cc1C	1968307253	GWEMNGCKOLNSPW-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
Cc1cccc(OC[C@@H]2[C@H]3CCCCC[C@H]32)c1C	1968364373	JRPUBNDSEZLXNM-ZSHCYNCHSA-N	244.378	4.509	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)CCC1CC1	1968528840	YZIZUVFJTHVRED-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
Cc1c(F)cccc1NCC1C[C@H](C)C[C@@H](C)C1	1968647464	DZRJTPIKRWMOMH-VXGBXAGGSA-N	249.373	4.618	0	10	BJAE	
CC1(C)CC[C@@H]1NC(C1CCCC1)C1CCCC1	1972323253	QAGDAJGQOVOJLL-HNNXBMFYSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CCCCC12CC2	1972722862	ASHGJBWMFCTFQK-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@]1(CC[C@@H]2C=CCCC2)CCCC1(F)F	1979998518	YDCCPCBVJGQZRE-OLZOCXBDSA-N	228.326	4.948	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCC(C)(C)C	1995261594	GFWYFCXKPUHWGU-KBPBESRZSA-N	227.436	4.747	0	10	BJAE	
C[C@H](N[C@@H](C)C1(C)CCCCC1)C1CCCC1	1995983852	SJTYHEQGGNXQRK-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)CN[C@@H](C)C1CCC(C)(C)CC1	1996569448	YBERGINVSRMEOJ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1ccc(C(C)C)cc1	1996610939	NWZUETLFLMVJQW-HNNXBMFYSA-N	234.383	4.670	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)C1CCCCCC1	1996617416	PNVVUSFMIXVUCZ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)CC1CC(C)C1	2000511551	QLPHXGXKUUCKHC-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1[C@H]2CCCC[C@H]21	2002150274	FEGXIMQTQOSQBM-HGTKMLMNSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(CNCCC)C1CC(CC)C1	2002337722	XJKAJOIBGDJQOS-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CCCCC(F)(F)C1	2003180613	CHMSUJGHTAITSD-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(CCCCCC(C)C)C1	2006608620	NCNYNKRMVAQFLE-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@@H](O)C1(C)CCC(C)(C)CC1	2007698492	TUZZKLILNHSURG-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
CCC1CC(C[C@]2(O)CCCC(C)(C)CC2)C1	2007760107	KSJHLDHDUAAOOV-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CC=C(C)[C@H](N)C1CCC(CCCCC)CC1	2007856797	GHOCKPQQCXVQSE-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CC(C)[C@]12CC[C@@H](Nc3ccccc3Cl)[C@H]1C2	2009131642	OOQQPRYGJCKSAX-UXIGCNINSA-N	249.785	4.577	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCC[C@@H](CC)CC1	2009570618	AWVYVUWZRJRGQD-UJOCRUBTSA-N	236.399	4.908	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H](CC)C(C)C	2009616282	HPIOPGXZRBTKNN-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
FC(F)(F)C1CC(CC2CC(=C3CCC3)C2)C1	2011087758	AXTWKMKKXORNTK-UHFFFAOYSA-N	244.300	4.856	0	10	BJAE	
CCCC[C@@H](CC12CCC(CC1)CC2)NCC	2012819684	OMHFVLMVAVGMRA-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccc(-c2cscc2[C@@H](C)N)cc1	2013610947	IOSNTAPXKBNCPY-LLVKDONJSA-N	245.391	4.558	0	10	BJAE	
CCC1(C[C@]2(O)CCC(C)(C)C[C@H]2C)CCC1	2015594978	JWSBVSBLFMBURL-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@]2(O)CC[C@H]2CC(C)C)CCC1	2015634330	QXGVDSVUNLWGIU-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](O)CC2(C)CCCC2)CCC1	2015634984	UVOKVSWWDSLIOC-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC(C)C1(C[C@](C)(O)CC2CCCC2)CCC1	2017116806	NMYRCYYUIWFHFX-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCC1(C(C)(C)C)CCC1	2017143828	RDAOVIJYDZWJHS-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNCC)CC(C)=C(C)C	2017461588	MXDZUEGDKCCBHV-MRXNPFEDSA-N	239.447	4.929	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C1=CC[C@@H](C(C)C)CC1	2017794828	VSSYUAZCDFINNC-CZUORRHYSA-N	237.431	4.523	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)C1CC(C)(C)C1	2018137867	ZODNDQIDLVVION-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H](C)C(C)(C)C	2018187781	IDCOHMJNQKALKJ-CABCVRRESA-N	241.463	4.959	0	10	BJAE	
CCCC1CCC(C(=O)CC2(CC)CC2)CC1	2018926462	WTWFHHJPRRHORK-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCCCN(C)C1CC(C)(C)C(C)(C)C1	2019289726	DEMMRJBUMBQDMR-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@](O)(CCC1=CCCCC1)C1CCC1	2019767629	LKDJPUXOSRTKFN-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC=C[C@]1(C)CNC(C)(C)C1	2022133820	XYKPCKWSKOBKIR-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C[C@@H]1CCCCCCCC1=O	2022555650	YYTULMWITWTHJE-KKUMJFAQSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C(=O)C[C@@H]1CCCC(C)(C)C1)C(C)C	2024101675	MHWZSUYYJDOQQB-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCC1CC(CC(=O)CC2CCC=CCC2)C1	2025435836	ONVMDWMLVJAMSN-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)[C@H]1CCCC1(C)C	2028872436	FXSOPPCBCLVNRY-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@@H]1CC(C)(C)CC2(CC2)C1	2030286896	FHUMKRCUJBMABE-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1ccccc1C1(C)CC1	2032242378	GRUOEMONNODDEX-ZFWWWQNUSA-N	243.394	4.729	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CCC2(CCCCCC2)C1	2032381822	NLLWZWSPIBGJNH-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C[C@H]2CC2(C)C)cc1	2032422059	VQIFPHWTUUNJDK-HNNXBMFYSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C)[C@@H](N[C@H]1CCCCC12CCC2)C1CC1	2035883898	AATKDFPLHIYYTH-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC2CC2)CC12CCCC2	2036103431	CYSJGCOCWLKUFI-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)[C@@H]1CC2CCC1CC2	2037172942	UPCQXZSQSWJNQF-BHUNQDJPSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@H]1CCC2(CC2)C1	2038566493	CTLNLEUYKFFWPM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1C[C@@H]1NC1CC2(CCC(C)(C)CC2)C1	2038932386	CQXLIQRBFZFICM-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@H](N)CCCCCC1CC1	2039443307	ZJHAQZLTAUKINO-OIISXLGYSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)C1CCCCC1	2045324734	YJUYGZAYHWBINX-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCC1(NC[C@@H]2CCC=CCCC2)CCCC1	2045333050	VUTMWZAFNQCJSD-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@H]1C(C)=CCC[C@@H]1C	2045746244	IGFSVOLUYLWPJR-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@@H]1C(C)=CCC[C@H]1C	2045810546	OJIOZTLQUZMKGE-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCC3(CCCC3)CC2)C1	2046569072	RWWQLSFBWNRVOJ-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCCC1CCC(N)([C@@H]2CC[C@H]3C[C@H]3C2)CC1	2047356113	BIOJBBGAWIWLSH-LHJGCZIBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC[C@@]1(C)CC=CCC1)C1CCCCCC1	2047714991	DIOAYCNYHKHAEX-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2[C@H]3CCCC[C@H]32)CCCCC1	2048442552	WJLYIGLKKUHNEC-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@@H]1CCC2(CC2)C1	2049851889	CPRLSJXJKNMPDU-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C[C@@H]2CCC3(CC3)C2)C1	2049936128	PXLNYOJMOZIJKA-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](O)CCCC[C@H]2CC2(C)C)cc1	2050427766	CKTLTSNKUATVFA-JKSUJKDBSA-N	246.394	4.635	0	10	BJAE	
Cc1ccccc1[C@H](O)C[C@H]1CCCC(C)(C)C1	2050429881	ZQIZRULQKYOJDJ-GDBMZVCRSA-N	246.394	4.635	0	10	BJAE	
Cc1ccccc1[C@H](N)CCC1CCC=CCC1	2050457085	YMCUPDSOOTVZAQ-QGZVFWFLSA-N	243.394	4.521	0	10	BJAE	
CCN[C@@H](CCC1=CCCC1)c1ccccc1C	2050461204	RNYWIIIDCQJVPD-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H](C)CC=C(C)C	2051402588	JUHBJALNSRBZIG-RDJZCZTQSA-N	245.410	4.720	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H]1CCC12CCC2	2051404524	RTTVUEKZLATVPY-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCC[C@@H]2CC[C@@H]21	2052279448	ITRNQFGPIGHJHT-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]3CCC[C@@H]32)CCCCCCC1	2052506766	ZUKTZCARFNCIFB-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H]2CCCCCC2(C)C)CCC1	2055548085	YCUUFYDNSIPIES-HOTGVXAUSA-N	249.442	4.824	0	10	BJAE	
CN[C@@H]1C[C@H](C[C@H]2CCC=CCCC2)CC[C@@H]1C	2055584234	MAYJMBHUZUQKPU-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@@](N)(C[C@@H]2CCCC3(CC3)C2)CCC1	2055606799	FYTGBNRAHJKWKZ-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H](c1ccco1)C1(C)CCC(C)CC1	2056561749	BXAQMCYOOUHMMT-SIWZUTFBSA-N	249.398	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CC12CCCCC2	2059254065	WWEJCQQPEVLMBF-CFSAUIFESA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C)CC1)C1CCC(C)CC1	2060925455	LAOBZLBWWJASNH-DXCHVLGVSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)[C@@H]2CCCC[C@@H]2C)CC1	2061089098	QWGAOZYZIHSHIJ-ABFRBSLYSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)[C@@]1(C)CC1(C)C	2061091560	JZVMTZASQZOKPO-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC[C@]12CCC[C@@H]1C2)CC1CCCC1	2061618656	WEAWZKZFOQPAFN-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)CCCCC12CCCC2	2062645817	IEKNAMREHJKXQD-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@H](C[C@@H](N)C2CCC3(CC2)CC3)C1	2062826315	UYXSGSFYLYVMPS-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1CCCCCC[C@H]1C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063486840	LZDLZWGUTDEZBB-ZOFXXKQRSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)CCC(C)(C)C)cc1O	2065468558	KIDYTFCPMGLRCQ-CYBMUJFWSA-N	249.398	4.636	0	10	BJAE	
CCC[C@@H]1NCCC1(C1CCCC1)C1CCCC1	2065936943	ZIGBUUISTWDTQT-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1C[C@@H]2CC[C@@H]2C1	2068705176	SWYYPMNFJGCPET-QKDCVEJESA-N	244.378	4.625	0	10	BJAE	
CC(C)Cc1ccccc1[C@H](O)C[C@H](C)C(C)C	2068837107	PPTZZJOLYAUBRJ-WMLDXEAASA-N	248.410	4.601	0	10	BJAE	
CCCC1(C[C@@H](C)[C@H](O)c2ccccc2)CCC1	2069330576	JPZSTGIVDOEOOY-ZBFHGGJFSA-N	246.394	4.717	0	10	BJAE	
CC(C)(C)C1([C@@H](N)C2=CCCCCCC2)CCC1	2071934945	ZKASKNJZNXMFRY-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@@H]2CC23CCCC3)CC1	2072801814	RCBYKCHWFBPQEC-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CC1	2072875328	MPRULLOFPJNSNS-ASIQFLCUSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@]23CCCC[C@@H]2C3)CC1	2074094699	NDHGPFDODYZGOD-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@](C)(N)[C@@H]2CC3CCC2CC3)CC1	2074623434	HPMMUVXMVDLBPE-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(N2CCC[C@@H]3CCCC[C@H]32)CC1	2074860339	SCLCLMATYCAAFP-ODZFXCKXSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCCC[C@H]2C2CCC2)C1	2074895455	IPCIJYRYFCLQMY-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@@H]2C2CC2)CCCCCCC1	2079324355	NCCXGLVPYDFCMS-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@H]2C[C@@H]2C2CCCC2)CC1	2079486889	PDKAMYUERDBVKI-XOUADPBQSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@H]1C1CCCCC1)C1CCC1	2079530644	PBABQHUUMDWSTB-ULQDDVLXSA-N	249.442	4.514	0	10	BJAE	
CCC1CC(N)(C[C@H]2C[C@H]2C2CCCCCC2)C1	2079669824	JDMHDLMNIHYZHJ-YTWPKEEVSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H]1C[C@H]1CCC	2079840722	DQZAHBYVGVASPE-HUUCEWRRSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)[C@H]2CCC3(CC3)C2)C1	2082975792	LTAAKIWBJIUTBE-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
FC1(CCOc2cccc3ccccc23)CCC1	2084743272	HTVDMFFRQKRACV-UHFFFAOYSA-N	244.309	4.501	0	10	BJAE	
CC(C)(C)CCCN[C@H]1C[C@H](CC(C)(C)C)C1	2213122218	VIRSYRNHKYYHDV-HDJSIYSDSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CN(C)CCCCC1CC1	2213535083	SDTMRIIDXSKRLW-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CC1CC(C)([C@@H](N)CCCCCCC2CC2)C1	2213571317	GZYYLMGLIOIQDR-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CCCCC2CC2)C1	2214562888	LVPGJEORNYEVGL-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@@](C)(O)CC2CCCC2)C1	2215377531	KZWFNVFPFHJLAM-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(N)(CC2(C)CC(C)(C)C2)CC1	2215390306	ZLHWBWWYDBIMCE-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCCCC2CC2)CC1	2215806249	CCJKOQDDLNVDHL-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](C)C(=O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216746095	BPQXDXXUFBZISQ-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1NCCC[C@H]1CCCCCCCC1CC1	2216878692	DUXZSWONKYNZDR-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC1=C(C)[C@@H](NCCCCCCC2CC2)CCC1	2218724783	KCANAUPZNPWVFP-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	2220853661	SAYKRGHNZZVAPW-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CC)[C@@]1(C)C=CCC1	2220874893	IUQRPGPWWSGXSH-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1(NCC2(C(C)(C)C)CCC2)CC2(CCC2)C1	2220977717	IUUBAUINUDEWFG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CC1(C)CC2(CCC2)C1	2221040315	NNKLDJFLUHFRNM-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CC[C@H]3CCCC[C@H]32)C1	2221041317	RSJSVRBBKJWAIX-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C(=C[C@@H]1CC[C@H]2CCCC[C@H]2C1)CN	2222947577	BCNBSKRVHUIAAH-KFWWJZLASA-N	249.442	4.524	0	10	BJAE	
c1ccc2c(c1)CC[C@H](c1ccc3occc3c1)N2	2232372809	CARPNAZDSANWKQ-MRXNPFEDSA-N	249.313	4.532	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1CCC1(C)C	2243196611	CISVJBSLXWARCM-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCC[C@@H]1CCC[C@H](C)C1	2246687064	LRFGTTHPBUEDBZ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C)[C@H](CC)CC[C@H]1CCC[C@H](C)C1	2246727654	NVNJGOQVKZRPNA-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)c1cc2ccccc2s1	2246943496	BKRISFIBLMDOKO-AWEZNQCLSA-N	248.391	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CC[C@H]1CC1(C)C	2247162686	HVZMZCLDGLXMPR-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC1(C)C)CC(C)(C)C	2247309172	UNLQLHIZKVJPQU-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C1(C)CC=CC1	2248812482	AFVFWROAXVVORZ-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC1CC(C(C)(C)C)C1	2250355579	LQXFOWGRSXMEDX-JYVUQVBGSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc2ncsc2c1	2250388276	XKWMWROOMATEIF-LLVKDONJSA-N	248.395	4.535	0	10	BJAE	
CC1(C)CC[C@@H](CCCCCCC2CC2)C1=O	2251714153	WCEKTEDKKUXHSN-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC1([C@@H](N)CC[C@H]2CCCCC23CC3)CCCC1	2253868475	BXBYLSJXUNRWLL-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC[C@H]2CCCCC23CC3)C1	2253883466	JULPXPNFEJOMRS-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1CC2(CC(C)C2)C1	2254488999	TYGZEABMLJSFDQ-PYCMUAIMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCn1ccc2cccc(F)c21	2254511076	FTCJDQAKAUJGDB-OCCSQVGLSA-N	245.341	4.607	0	10	BJAE	
CN[C@H](CCCC1CCC1)C[C@@H]1CCCC12CC2	2255222068	CJDQLVYNTHQNAL-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC[C@H]2CCCC23CC3)[C@H](C)C1	2255268926	KSRQNFIXKVSYLA-GBJTYRQASA-N	248.410	4.598	0	10	BJAE	
CC(C)CC1(C(=O)CC[C@H]2CCCC23CC3)CC1	2255312488	GTOQUDRQLWQQHO-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc([C@H](N)CCCCC2CC2)cc1	2256293833	JIRRNLMLULQEGB-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CCCCC[C@@H]2C[C@@H]2C)C1	2257306833	JNZWGBSBMDRKEN-YLFCFFPRSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(N[C@@H](C)[C@H]2CCC2(C)C)cc(C)c1C	2258233119	KALKCMMRQFHZMC-GOEBONIOSA-N	245.410	4.848	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3CCC[C@H]32)cc(C)c1C	2258252316	KSMNRSYIUWTTQS-DJIMGWMZSA-N	243.394	4.602	0	10	BJAE	
CC1CC2(C1)CC(C[C@@H]1CCC(C)(C)CC1=O)C2	2259545536	VJHIIHGEEGUJPA-XJIRZWNVSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@]12CCCC[C@@H]1CC2	2260508505	PJTQEFRAVOAVJG-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@@]23CCC[C@@H]2CC3)C1	2260545055	NDMLGDDYHSWVAF-NHMAURGWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@]23CCCC[C@@H]2CC3)C1	2260638494	NPJATVQPFJWOES-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CC[C@](C)(CNC1CC1)C[C@@]12CCCC[C@@H]1CC2	2260658974	SKPRVIFQNCWSFH-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2298723456	FXUSJPLFRYCBCW-OAGGEKHMSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@@H](C)CC1CC1	2298847211	FTEJBSXGXFAGJB-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCC1)[C@@]1(O)CCCCCC1(C)C	2298861480	MIYHBSLFTCNTHC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)C(=O)C(CC1CC1)CC1CC1	2298888813	NGSFREUARCPYBK-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1CC12CCCCC2	2300503546	NOOKZSFMNWVGLO-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCCNCC1(CCC(CC)CC)CC(C)C1	2300680342	CSKGVBFHALOFGY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@](C)(N)C(C(C)C)C(C)C	2300707225	YXSLIXAYOUHAAQ-INIZCTEOSA-N	241.463	4.848	0	10	BJAE	
C[C@H]1C[C@H](C)C1(O)CCCCCCCC1CC1	2301037188	NMYBXPWSRUSDIX-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC2CCCCCC2)C1	2301137198	GAJDRWQAWIZIEV-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC(=O)CC[C@@H]1C[C@H]2CCC[C@H]1CC2	2301146099	VRASPMIFIUDUMT-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)C[C@@H](C)S[C@H]3C	2301728688	BYLKCLUWTBSIGD-MNOVXSKESA-N	245.391	4.524	0	10	BJAE	
CC(C)NCC(C)(C)CCCC1=CCCCC1	2302353875	LCSVYKSOABGLCE-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)C[C@H]1CCC(C)(C)C1	2302675675	NODQTOQBKZLFCD-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCCC(C)(C)C(=O)C12CC(CC(C)C)(C1)C2	2304437799	ZUJKVYJCDDEQLX-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(F)CNc1cccc(C(C)C)c1F	2307559222	LJQYBRHYTQNQNV-UHFFFAOYSA-N	239.309	4.624	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)[C@@]12CCCC[C@H]1C2	2307826968	SLMZFUNRDOSINZ-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](C(C)C)CC[C@H]1O	2307908835	RLLPZOXSJRFQDW-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C1([C@@H](N)C[C@@]23CCCC[C@@H]2C3)CCC1	2311148029	PEQLISYAZVGFJQ-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1C)C1=CCCCCC1	2311276124	PYUFXGKMFXGKOA-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@@H](N2CCC[C@@H]3CCCC[C@H]32)CCCCC1	2311969128	PORFMBWUJNQKOY-GVDBMIGSSA-N	247.426	4.530	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)[C@@]23CCCC[C@@H]2C3)C1	2312670144	LKVMABQXTNXVRV-LJIGWXMPSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1[C@@H](C)CC1CCC1	2313622238	JODKRGRNGMXLDP-AHIWAGSCSA-N	243.394	4.658	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1CC2(CC(C)C2)C1	2316507915	GVBPHUJLQIUAER-ONNPGMOUSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H]1C[C@@H]1C1CCCCC1	2316508937	FTWZZTFJJXMLBW-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@H](N)[C@]12C[C@H](C)[C@H]1C2)CCCC(C)C	2316571308	RRZJMGALDIFSOJ-YVSFHVDLSA-N	249.442	4.523	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317118047	FTYVWFIHZILQEE-YLFCFFPRSA-N	249.442	4.680	0	10	BJAE	
CC(C)c1cccnc1C(=O)CCCC(C)(C)C	2318012535	LNIHOQROZGCJPT-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
CC1(C)C[C@@](N)(CCCC2=CCCCC2)C1(C)C	2318537307	IZKAYUXJETZPMN-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@@]12CCC[C@@H]1CC2	2318566612	ZHQPTRTZWKDWGH-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(C(=O)CCC[C@@H]2C[C@@H]2C)c1	2318930481	NOFDWVDOIKKRSH-DZGCQCFKSA-N	244.378	4.819	0	10	BJAE	
Cc1cccc(NC[C@H]2CC[C@H]2C(C)(C)C)c1F	2320318719	BLFXGAILYSEZBO-CHWSQXEVSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@]2(C)CCCC2(C)C)CC1	2320412716	PFRTZUCCCDUTPX-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC[C@H]1CCC(C)(C)C1)[C@H]1C=CCCC1	2321634918	WMRQWJQBSIJUKQ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@@H]2CC[C@@H](C)C2)c1	2327672418	DTYWAVSCICZDBP-SUYBPPKGSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C[C@H](C)c1ccccc1	2328193298	LGEPDWORTZKUSV-ZOBUZTSGSA-N	248.410	4.758	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1ccc(C)cc1C	20482618	XCUILSIESFCGEL-GDBMZVCRSA-N	233.399	4.520	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCC[C@H](C)C1	22149808	ZQJBVXMXGKIRSL-GXFFZTMASA-N	237.774	4.639	0	10	BJAE	
Cc1cc(O)cc(-c2cccc3ccccc23)c1	65340500	PXHROHCWFPWCCF-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(F)c(C)c2)C1	71121711	DAWGGSXSRQCAEZ-CHWSQXEVSA-N	235.346	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccc(Cl)cc2)CC1	83427109	UXMDWGMPOFDZAK-AAEUAGOBSA-N	237.774	4.721	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@@H](C)[C@H](C)C1	84986924	DXBYBNSVDXBBBD-XNRPHZJLSA-N	245.410	4.794	0	10	BJAE	
CCCCCC[C@@H](O)C1CCC(C(C)C)CC1	87961957	JVRDIOKBHUSMRP-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(O)CCCCC1(C)C	94284682	JYYOXSURTRCPMR-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCC1(C)C	94307355	VKTPXLBEFLBQPL-CQSZACIVSA-N	231.383	4.548	0	10	BJAE	
CN[C@H](C1=CCCCC1)c1ccc(C(C)C)cc1	110228536	BFPXOTSNVKKVAE-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
Cc1ccc(CC(=O)C[C@H](C)CC(C)(C)C)cc1	164077784	WEXZIFKKMJLIAO-AWEZNQCLSA-N	246.394	4.569	0	10	BJAE	
CC[C@@H](Nc1ccc(F)cc1)c1cccc(F)c1	166406893	DTUDQCJMNHYTRB-OAHLLOKOSA-N	247.288	4.528	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H]1CCC[C@@H](CC)C1	219903007	HGZBGWWOTKJSIY-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cc(C)cc(N)c2)cc1	232055690	GOAOGFNOGRWMBM-ZDUSSCGKSA-N	239.362	4.758	0	10	BJAE	
CCCc1cccc(-c2ccc(N)cc2Cl)c1	232182466	OJNIHHALJWOIPX-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
CCC[C@H](CC)Nc1ccccc1C(C)(C)C	233349287	SQBGSVNTXFZCMK-ZDUSSCGKSA-N	233.399	4.975	0	10	BJAE	
Cc1cccc(O[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1C	235344925	IKKONQJYZMVCGU-OSAQELSMSA-N	232.367	4.507	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@H]1C)C1CCCCC1	251297434	AXQSWKSZUNIBQV-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@@H](C)C(C)(C)C)cc1	302417392	JKCGERNNVFTKEY-DOMZBBRYSA-N	234.383	4.526	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1/C=C/CCCCC1	305949672	HFPPJNMNSUUURG-OMDQHUAHSA-N	249.785	4.949	0	10	BJAE	
Fc1c(C(F)F)cc2ccsc2c1Cl	307564980	DXDOVIQMQDFWEW-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCCCC[C@@H](C)Nc1nccc2ccsc12	310393198	DYXFBKHNMKAVGN-LLVKDONJSA-N	248.395	4.677	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(O)CCCC(C)(C)C)c1	310578555	UMGNLJORYINTTD-KRWDZBQOSA-N	248.410	4.727	0	10	BJAE	
Cc1cc(C)c([C@H](O)C(C)(C)C(C)(C)C)cc1C	311170812	QJBSTFKQAJAMDB-HNNXBMFYSA-N	248.410	4.718	0	10	BJAE	
CCNC[C@@]1(CCCC(C)C)CCC[C@H](C)C1	317269393	NJYYFZBBHOQFNR-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](c1ccc(CC)cc1)[C@@H](C)[C@H](C)CC	319100266	DZCQLYAVYSBFID-KEYYUXOJSA-N	247.426	4.582	0	10	BJAE	
CC[C@H](Nc1cccc2ccsc12)C1CCC1	322497756	CSTYTFDQQFWRHO-ZDUSSCGKSA-N	245.391	4.892	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2cc(C)cc(C)c2)CC1	328336018	KFELUKNAKCDTIV-SHTZXODSSA-N	244.378	4.703	0	10	BJAE	
CCCC1(N[C@@H]2CCC[C@@H](CC)C2)CCCC1	382300854	PLNRTWKMUFTLJB-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
Cc1ccc(NCCCCCC(C)C)c(C)c1	383192305	XAQJFEGZPOZITJ-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@H]1C)c1cccc(C)c1	385112917	AWRXCHOHXZUOML-HYVNUMGLSA-N	245.410	4.614	0	10	BJAE	
c1cc(NCC2CCCC2)c2sccc2c1	386205914	GEFGMIAWFSWWPN-UHFFFAOYSA-N	231.364	4.503	0	10	BJAE	
CC[C@H](N[C@H]1CCCC12CCC2)c1cccs1	394754116	WSWAZQAHKXBLEV-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)[C@H](C)CC	395407433	ZPCPIVKDQICNMB-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCc1cc2c(C)csc2cc1C(F)(F)F	396297163	FCZNATYSGPJQEZ-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCC[C@](O)(CC1CCCCC1)[C@H]1CC1(C)C	397592650	CLCQJOVOGVGLFT-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCC1CCC1)NCC	398932615	RGPBZIHZUUNQKW-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1ccc(F)cc1C	401837896	OPCZIMOTNVROEW-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CC=CCC1)NCCC	402313343	JPCQGTXZQUIETR-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCc2cc(CCCC3CCC3)ccc2N1	688373219	CMJFATNAVIYMBM-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
CCSc1cccc(N[C@@H](C)C2CCCC2)c1	689701702	JXVBPPMGZYQYTQ-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
N=C(Nc1ccc(C2CCC2)cc1)C1CCCC1	690100195	GDDWQNHGHHXZKJ-UHFFFAOYSA-N	242.366	4.533	0	10	BJAE	
CCCNC[C@]1(CC2CC=CC2)CCCC[C@@H]1C	692153659	FWEZHCPFJSZZSR-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@]12CCCC[C@@H]1C2	693183452	OXRPAPCLYDYFKK-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCCCc1ccsc1Cl	698010990	BLCQXQDQXWRMCQ-UHFFFAOYSA-N	214.761	4.690	0	10	BJAE	
CCC(CC)C[C@H](N)[C@]1(C)CC[C@H](C)C1(C)C	699049917	JQBRWMHUOMRFNJ-NOLJZWGESA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1C[C@H]1C(C)(C)C	699848237	JGOAGPVPSJPUCB-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(N)(CCC)CCC	704976466	IOCVTPPFGAJELO-AWEZNQCLSA-N	227.436	4.891	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H](C)CC(C)(C)C	708272191	DFCDQEMWBAJVND-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](C[C@H](O)C(C)(C)C(C)(C)C)CC(C)(C)C	709133344	YVNYYILFPLILAB-STQMWFEESA-N	242.447	4.882	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)CCC(C)(C)C1CC1	709230717	YMEUNDRZRPUKGJ-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CC12CCCCC2	709727258	RLERKECEYAVYBX-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
C[C@H](C[C@H](O)C[C@H](C)C(C)(C)C)CC(C)(C)C	710784373	DGDSDFWFXXJWBN-RDBSUJKOSA-N	242.447	4.882	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CCCC2CCC2)c(C)c1	711177720	BLRSRPBMDDEVOY-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
C=C/C=C/CCC(=O)C[C@@H](CC)C(C)(C)C	713684189	NFJLEMBNWYCNHY-MMQHEFTJSA-N	222.372	4.540	0	10	BJAE	
CC(C)c1ccc(OCC[C@@H]2C[C@H]2C2CC2)cc1	714778060	HVMDXUUDHGTJRJ-WBVHZDCISA-N	244.378	4.625	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1sccc1Cl	718568843	XEMWFEMVCYCKAH-LLVKDONJSA-N	243.803	4.538	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CCC(C)=C(C)C	718697411	XGMWAFKJTYPEGN-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CNC2CC2)CC[C@@H](C)C1	718780315	PTUAJNJWIVYHMN-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CC[C@]1(CN)CCC=CCCC1	719036629	VLVSMAUGLFFUAR-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCCCC1(C)C	719223427	QYQOAOQKGVDMNA-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C1CCCCC1	720361051	WOVYQYOKAHIWGY-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)C[C@](O)(CC)CC1CCCCC1	720988948	IAXLZJLQNXUCRV-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
Cc1sc(C)c(C(=O)[C@H](C)CC(C)C)c1C	722678928	WPSGYKMQLWOQJV-SECBINFHSA-N	238.396	4.538	0	10	BJAE	
CCC[C@H](CC)S[C@H]1CCC[C@@H](C)C1	1459058225	BSFMQLBPQYCXJR-AGIUHOORSA-N	214.418	4.877	0	10	BJAE	
C[C@H]1C[C@H](NC2CCC3(CCC3)CC2)CC[C@H]1C	1656064463	YEASFUWQQZCHEO-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
Clc1ccc(C2CC2)cc1CC1=CCCC1	1901189611	KPYJKUFQYKKELJ-UHFFFAOYSA-N	232.754	4.870	0	10	BJAE	
CCCCCCc1ccc(C(C)(F)F)cc1	1901881026	IWGWYLBJEZUWBU-UHFFFAOYSA-N	226.310	4.921	0	10	BJAE	
CCC[C@@H](CC)COc1c(C)cccc1C	1905292351	IWCBCRFMMSIBNW-CQSZACIVSA-N	220.356	4.509	0	10	BJAE	
CC1(C)C[C@@H]1C[C@H]1CCCCCCCC[C@@H]1O	1913391800	OYNWJOAYSIADMB-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNC(C)(C)C)C=CCCC1	1916568073	HAQKBBJVYLUMGW-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@]1(CNC(C)C)C=CCCC1	1916580699	TTZXKIHTTPIAML-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H](C)CCC	1919965500	YBOFHRALOOKOSY-ZIAGYGMSSA-N	214.393	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)Cc1c(C)cccc1C	1919973544	MGWWPSJGPRBUBV-KRWDZBQOSA-N	248.410	4.567	0	10	BJAE	
CCC(CC)C[C@H](N)c1c(C)c(C)cc(C)c1C	1926375883	IRCZAHOWAITJGJ-INIZCTEOSA-N	247.426	4.746	0	10	BJAE	
CC[C@H](CC[C@@H]1C=CCCC1)CC(F)F	1932599504	UZDMTAWBWFWFFI-VXGBXAGGSA-N	216.315	4.804	0	10	BJAE	
CC[C@@H](C(=O)CC1(C)CCCCC1)C(C)C	1936209722	QQVIVWLCYWQTKY-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CCCCCC1CC1)NC	1936421502	UGUXWENBVPRGIA-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
C[C@H](NCC(C)(C)C1CCCCC1)C(C)(C)C	1940762731	KVDYRGUCAQETOO-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC[C@H]1CC1(C)C)NCCC	1940871543	DPXSVFZGXIMMDG-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@H](O)CCCC1(C)CC1)CC(C)(C)C	1940874208	DPUPYOIUASWNKW-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CCC[C@H]1CC1(C)C	1940876274	LIWCXQFVXLRWBK-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@@H](CC)C(C)C	1941264925	UHGNKSDHCJXUSN-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
O=C(CC1CCC=CCC1)C1CCCCCC1	1941792538	GVXRZKFAFKEXPX-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC1([C@@H](N)c2sccc2C2CC2)CCCC1	1942506689	XTLYFOISCJFZGP-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]([C@H](C)CCC(C)C)C1	1942657611	FKCMOBKCJXHXJV-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CCNCC1CCCCCCC1	1942799431	NTUFNXHRNCGLAP-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)c1ccsc1C	1944449709	GYUBRKBHNWIMEJ-OAHLLOKOSA-N	249.423	4.620	0	10	BJAE	
CC[C@@H](C)CCNc1ccccc1C1(C)CC1	1944598587	PXWIQKVEYYZAFA-CYBMUJFWSA-N	231.383	4.586	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@H]1CCC[C@H]1C	1944842921	NVKJUWKIDZJIPP-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@@H]1CCC[C@H]1C	1944849456	MKEZFVIPFVHRMZ-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)C[C@](C)(O)c1cccc2sccc12	1945946547	AWJBDLZUUOSFCC-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1cccc2sccc12	1945970786	SGRRKUCMBWCOKB-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1C=CCCC1)NCCC	1947588339	NZRIJVMMYNAEKJ-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)N[C@@H]1C=CCCCCC1	1948323749	RMGDCRCRUWTRST-ARFHVFGLSA-N	237.431	4.536	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)[C@@H](C)CC(C)C	1948333475	SBFNWPZYLXJABP-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)C[C@H]2CCCC[C@]2(C)C1	1948595725	JMOSHOLLZUEWGQ-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCC(F)(F)CCC(N)(CC(C)C)CC(C)C	1949156258	XMNLEVDFIVCWAK-UHFFFAOYSA-N	249.389	4.602	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)CC2CC(C)(C)C2)C1	1949734755	UQOKHRFBIYYINV-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC1CC2(CCC2)C1	1949844334	KOEBACAAHHDQQO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@H]1CC12CCCCC2	1950610910	FGFYHUDYXQQZCK-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@H]1CC12CCCC2	1950660669	ZNDFFWINYQROQZ-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)[C@@H]1CCC[C@H](C)CC1	1950916637	JMTNKVPKRNXBMJ-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@]1(CN)CCCC(C)(C)CC1	1950917448	FZMJNUKPVRRQIR-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
CC(C)CCCN(C)CC[C@@H]1CCC[C@@H](C)C1	1962921493	LGWOKXBWPGJCLB-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
Cc1cc(C)cc(CNC2(C)CCCCCC2)c1	1963023054	BYUGKCTZUQKUCG-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CCCc1ccccc1NC[C@H]1CCC2(CC2)C1	1968528061	LQZIKUFMFPSVTA-AWEZNQCLSA-N	243.394	4.631	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H]1CCCC2(CCC2)C1	1968860520	ZJSYJPFCJVJWRE-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@H]1CCCCC12CC2	1972744891	PVRZZSLVVKZWJS-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC12CCC2)C1CCCCC1	1972820403	QRRVLJVTWOAYEK-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)C1(C)CCCCCC1	1978452194	XTEAXOHQYXQLHG-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(CC2CC(=C3CC3)C2)ccc1Cl	1993206125	JWNJJKVDRPDMKF-UHFFFAOYSA-N	232.754	4.691	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cc(Cl)ccc1C	1993483784	PXZMUACJYDPQAA-FZMZJTMJSA-N	240.774	4.508	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)C1CCC(C)(C)CC1	1996595414	VRWIMHNQKOJSOC-CJNGLKHVSA-N	239.447	4.602	0	10	BJAE	
CCCSc1ccccc1N[C@H]1CC[C@@H]1CC	1998742614	NULJBDFOUURAFY-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
CCCC1(C(=O)C[C@H]2CCC[C@H](C)C2)CCC1	2000194998	LIASEFMTPHPRHJ-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CN[C@H](CCCC(C)C)CC1CCC(C)CC1	2000254341	NHXFNAJOBRIDBJ-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1CCC1)C1(CCC)CCC1	2000389794	HJKYKOROCXKPQZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](CC)(CNC)C[C@@H]1CC=CCC1	2000506003	XDFMFZYBQZQYNP-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1CCC12CCC2	2001861892	DFJKRCJNMXJBJL-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1CCC12CCC2	2001863649	TYEOOALPJLDCHY-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](N)C1(C)CCCCCCC1	2004923248	OLOMUXDSRFGPET-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
CC(F)(F)CCC(=O)C1(C)CCC(C)(C)CC1	2007682419	ZIOKKZBQEVYZIH-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@H](C)C(C)C	2007938042	UCLNFPLISMURSV-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)C[C@@H](C)C(C)(C)C	2007938296	WMJVXPUCPFQZKM-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@](C)(O)C1CCC(C)(C)CC1	2009590538	PPRVWZTZNBEFQM-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C1=CC[C@H](C(C)C)CC1	2010727010	UELKZAXFKIYHPA-DZGCQCFKSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@](C)(N)CC(C)(C)C)CC1	2010740553	WACMVMSZNVVOMJ-CJNGLKHVSA-N	237.431	4.523	0	10	BJAE	
CC(C)[C@H]1CC=C(C[C@H](N)c2cccs2)CC1	2010747482	KIUUEVGHHJIEIU-KBPBESRZSA-N	249.423	4.521	0	10	BJAE	
C/C=C/CCC[C@@](CC)(CNC1CC1)C(C)C	2012409230	GSNDLKDHNZLHHQ-YERXGYGTSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@@H](C)C[C@H]1C	2013263943	KALNVEHYBZHOGE-KLHDSHLOSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC1(C(C)C)CCC1	2013323740	XLWKZUZTUUOYKA-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC(C)C)CCC1(C)C	2014852572	IAXYTOXOBYXJOP-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CC[C@H](O)CC2CCCC2)CCC1	2015642120	MNQCWTQKGSXJEH-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1(C(C)(C)C)CCC1	2017133924	ZOBIUJMSHVYLEW-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CC)CCC1(C(C)(C)C)CCC1	2017144120	BMGCTALQAUTZJM-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@](C)(NCCCCC2CC2)C1	2017621015	YSDBXWZYXUYCJV-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CCC2(O)CCCCC2)CC1	2017727148	XAAMWHMMQSTUKB-SHTZXODSSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@](O)(CC)CC[C@@H]1C[C@@H]1C1CC1	2019691211	SJZBUSNBTUDFTR-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1C[C@@H]1C1CCCCC1	2022376163	KHXCBRLHRDWTCC-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN(C)CC(CC)(CC)CC	2022577682	ZJCZKNCDQUPHKA-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CC(C)NCC(C)(C)C[C@H]1CCCC(C)(C)C1	2024095643	RUXKNYLFABKGCQ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H]2CCC[C@H](C)C2)C1	2025426733	KNTCKLFJPAXSON-FGZQJIAISA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CC[C@H](C(C)C)C1	2025575631	YKOIAERAUIBWJL-HRCADAONSA-N	239.447	4.616	0	10	BJAE	
CC[C@@](N)(CC1(C)CCCCC1)c1ccccc1	2027306162	IGRCJPAJOAEITK-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1cc2c(o1)CCCC2	2027376615	CEXJFPQSIVMELF-GFCCVEGCSA-N	248.366	4.558	0	10	BJAE	
CCCc1ccccc1[C@H](O)C[C@@H](C)CC(C)C	2027899369	NZWBESRUTRKGJZ-WMLDXEAASA-N	248.410	4.745	0	10	BJAE	
CCC[C@@H](C(=O)c1cccc(C2CC2)c1)C(C)C	2028559795	KBUCQVCWKBWEGT-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@H]1CCC[C@@H](CC2CCC=CCC2)C1	2028870022	NOQNMKOZCATOBX-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2CC[C@H]3C[C@@H]3CC2)C1	2028965462	SOGAKUXTFUGBOM-VRKREXBASA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](NC)c1ccc(C2CC2)cc1	2029074843	NJDZDLFXZRAZQC-GDZNZVCISA-N	245.410	4.507	0	10	BJAE	
C[C@H](CC1CCCC1)NCC1(C2CCCC2)CC1	2029736170	MKKCBZOCEPUMBD-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc([C@H](O)C(C)(C)C(C)C)cc1CC	2032274698	YUERDOCKXSPLHV-INIZCTEOSA-N	248.410	4.527	0	10	BJAE	
Cc1cc(NC2CC(C3CCCC3)C2)ccc1F	2033767178	MNQGIHOZOLDWEP-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2CCC[C@@H](F)C2)cc1	2034890843	IOZBRKMUWXYAPU-HUUCEWRRSA-N	248.341	4.521	0	10	BJAE	
CCNCC1(C[C@H]2C=CCCC2)CCCCCC1	2035603879	XJBAUHHJINASKK-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCC[C@@H]1CC[C@H](NCC)[C@H](C[C@@H]2C=CCC2)C1	2035604021	YAMCVTNYKGGEPH-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
N[C@]1(C2=CCCCCCC2)CC[C@H]2CCCC[C@H]21	2037078244	LYCQHELQODVRAZ-OIISXLGYSA-N	247.426	4.565	0	10	BJAE	
Cc1cc(C)c([C@H](N)[C@H](C)CCC(C)C)cc1C	2037207104	MWMFICHPEUOVLK-SJKOYZFVSA-N	247.426	4.684	0	10	BJAE	
C(CCC1CC1)CC[C@H]1CCC2(CCNCC2)C1	2037726379	ARWOVTGEIAXEKZ-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H]1CCC2(CC2)C1)C1CCCCC1	2038570371	CIJOQQSGCCDRHI-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@]2(C)CC=CCC2)cc1	2042069395	JIYDSELDJUXEGP-IAGOWNOFSA-N	244.378	4.590	0	10	BJAE	
CCc1ccccc1C(=O)C1CC(C(C)(C)C)C1	2043000202	KXEVJVIHTVDUBS-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)[C@@H]1C=CCCC1	2043187391	LGURMQGRPWOMEL-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@H]1CC(C)C	2043688246	YUCIFBSHQRKOKL-JKSUJKDBSA-N	245.410	4.794	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCC[C@@H]2C2CCCC2)C1	2045530436	ZQBHZLVGRBWCTN-HZPDHXFCSA-N	249.442	4.610	0	10	BJAE	
CN[C@H](CCC=C(C)C)C[C@H](C)c1ccccc1	2045740314	GYBXSVRQXWLVHL-DOTOQJQBSA-N	245.410	4.515	0	10	BJAE	
Cc1ccc2ccn(C[C@H]3CC34CCCC4)c2c1	2047061735	IBFHUFLMWCHXTK-OAHLLOKOSA-N	239.362	4.530	0	10	BJAE	
CCC1(CN[C@@H]2C[C@H]3CCCCCC[C@H]32)CCC1	2047433757	DPQFQAGYAGXLRZ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
N[C@@]1(C2CCCCC2)CCCCC12CCCCC2	2047561156	OHZLHCPRCFXNLO-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1[C@H]2CCCCC[C@H]12	2048361210	UGYICPBCWMDDNZ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@](N)(C2[C@H]3CCCCC[C@H]23)CC1	2049211830	NLMFNKXNYVHHFT-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@H]2CCC[C@@H](C)C2)c1F	2049539404	GOWZPXTYQSDIDK-BNOWGMLFSA-N	249.373	4.761	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@@]1(C)C=CCC1	2049990802	CAKNFOJGTJVQSR-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCC[C@@H]3CC[C@H]32)CC1	2052298793	FALLFZRPBPKIAG-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(Cl)c(C(F)F)cc1C(F)(F)F	2054888884	YEDJQUWSENMJHV-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@H]1C)[C@]1(C)CC=CCC1	2055282782	PHWBRWCKXIMEQC-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C1CC(C2CC2)C1	2057826146	IEVAXMWJIRIDDB-JCYILVPMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H]([C@H]2C=CCCCCC2)CC1	2058992760	VOOAMULCZGMCKA-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
C/C=C/CCC[C@H](CC1CC2(CCC2)C1)NCC	2059250179	OBGUNLZKDNWYKC-LLCTXKFZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C(CC(=O)c2ccc(C)cc2)CC1	2061193903	CNUFDTQSAWURDW-CQSZACIVSA-N	242.362	4.704	0	10	BJAE	
O[C@H](CCCCCC1CC1)C1CC(=C2CCC2)C1	2061639812	JMWZLQURBBXEBD-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2CC(=C3CCC3)C2)C1	2061738909	IEMXXSOJCAROGT-SUMWQHHRSA-N	247.426	4.565	0	10	BJAE	
Cc1cc(C)c(C(=O)CCC[C@H]2C[C@@H]2C)cc1C	2062630299	KXBDFTZNXJCVSP-ZFWWWQNUSA-N	244.378	4.621	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063417854	IFVVKQKBPBZGCP-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1C[C@@H]2CCC[C@H]2C1)CC1CCCC1	2063488342	BAEVIRSOWLPBMY-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC=C(C)C)CC2(CCC2)C1	2063636735	MCVSVZYMVFJJHM-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(CNC23CCCC2CCC3)CC1	2063905178	ICGXMIBPXUWJKZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1N[C@H](C)[C@@H]1CCC1(C)C	2068287569	NCDQDASSEVYOKW-HIFRSBDPSA-N	245.410	4.876	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1ccccc1C(C)(C)C	2068984925	SOJJCKQLTUGRAD-CYBMUJFWSA-N	246.394	4.849	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2(CC3CCC3)CC2)C1	2069567519	SBIOIFCNLCXAEL-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC1C[C@H]2CCC[C@H](C1)C2	2070402011	BFLRGKIJDLALTO-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)[C@]2(C)CC=CCC2)CCC1	2071922623	UCYZSPCFASUIJH-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)C1(C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	2071928553	NNWQSFKBCDULII-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(CNC)C=CCC2)CC1	2072798517	KCTHGNYGLQTNRR-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@]23CCCC[C@H]2C3)C1	2074089561	DOSRFOZYJWQOBP-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H]2CCNC3(CCCC3)C2)CCC1	2074134536	LISURJOJDIAFHW-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(C)C1(C[C@@H]2CCNC3(CCCC3)C2)CCC1	2074136029	XBZNONPENOQVLC-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@H]1C(C)=CCC[C@@H]1C	2074630157	WMFLBEMXSUOSQT-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC[C@H]3CCCC[C@H]32)C1	2074891164	FILXRPZSONQAKQ-WCXIOVBPSA-N	249.442	4.610	0	10	BJAE	
CCCc1ccccc1CN(C)[C@H](C)CC(C)C	2075229410	MWMOEUVAHNJQLU-OAHLLOKOSA-N	247.426	4.506	0	10	BJAE	
CC[C@@](CNC1CC1)(C(C)C)[C@@H]1C=CCCCC1	2075364598	IGWHHXJIRYYLST-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CC23CCCCC3)[C@@H]1N	2076394934	GAKSMUIDQXDKCX-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@@H]2CC[C@H](C)C2)o1	2077973860	UMPYSLIPRCZZJA-QWHCGFSZSA-N	248.366	4.631	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2079438788	JWVXLYXHZMOISF-WCVJEAGWSA-N	249.442	4.523	0	10	BJAE	
CNCCCC(C)=C[C@H]1C[C@@H]1C1CCCCCC1	2079707712	VESSSPMIYJKSST-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H]2CCCC[C@H]2C)c1	2082950946	PPZFAAWERAYSIN-DOMZBBRYSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@]2(C)CC=CCC2)C1	2082977817	BOXYSYDWIPAUCP-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N[C@H]2CCCCCC23CC3)C1	2085309003	WXILQDPDCDPYAH-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1ccc(C)c(C)c1	2086053776	NIXBHXBDDDFOPK-SUMWQHHRSA-N	247.426	4.910	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213284503	IRAVXDLBTJBJMP-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](CC(C)C)C(F)F	2213850321	DAPWWTJCQIWZKT-OLZOCXBDSA-N	249.389	4.615	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(O)CCCC(C)(C)CC1	2215236271	IKXRUSWJVKPKAS-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](NCCC)C1(C)CC2(CCC2)C1	2215375950	WVHWWVHNFLEUBM-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCCCC(F)F)C(CC)CC	2216447050	LDQGORQXJHCGPA-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
Cc1cc(Cl)cc(OCc2ccccc2C)c1	2217054984	MPRGFOGUTYYCKC-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCCC[C@](CC)(CN[C@H](C)CC)[C@H]1C[C@@H]1C	2217150476	NJUYCJWBAAVDMW-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(CN[C@H](C)CC)CCCCC12CC2	2217151066	RJTHHIBCYSYOTB-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC1(CC[C@H](N)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218357812	IKZNLBLQAPFOBY-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1C[C@H]2CCC[C@@H]21	2218732395	RAVOEOONMNHIEZ-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@H]1CCC1(N)CCC2(CCCCC2)CC1	2220849409	CKFOTSHSFVMOHW-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C1CC2(CCCCC2)C1	2220959472	KKFRYEDVIBCJKH-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)c1cc(C)cc(C)c1C	2220965318	ZBPWLELHNRAKPI-HUUCEWRRSA-N	244.378	4.621	0	10	BJAE	
Cc1ccc(NCC2(C)CC3(CCC3)C2)cc1C	2221024751	FBZPRTORRZYHQF-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CCN[C@H](C[C@]1(C)C[C@@H]1C)[C@@]1(C)CC=C(C)CC1	2221634750	CSHJJBUUSHHDQA-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@]1(CNC2CCC2)C[C@@H]2C[C@@H]2C1	2223554243	FRHUOPJWUKYLJK-QLPKVWCKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@@]1(CNC2CCC2)CCCCC12CC2	2223604254	KFAUGLPRIVQSTR-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H](N)c1cccc2ccoc12)C(C)(C)C	2224151814	WEAUZZHXIHONOO-SMDDNHRTSA-N	245.366	4.505	0	10	BJAE	
CCC[C@](N)(CC)CCCCC[C@@H]1C[C@H]1C	2243907038	FKGNYDNVXDRHAE-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@H](C)CC(C)(C)C	2244783326	PDZYBGGEUOYKFL-RDBSUJKOSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](N)CCCC[C@@H](C)CCCC(C)C	2244868763	SIWQPRVNHGCXHM-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CCC[C@](N)(CC1(C)CC(C)C1)C1CCCC1	2246524656	MYLBNKLPQKCJAS-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC[C@H]1CCC[C@H](C)C1	2246678351	IPKQWNAHZMBFSE-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CCCC[C@@H]1C[C@H]1C	2247157544	DHGYFGCRQNJFOL-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](O)C1CCCCCC1	2247164640	OLFQRWNEAMHGPA-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
O=C(CC1=CCCCC1)C1CCCCCCC1	2247456280	MKRDFRDFUVVYQL-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CCCC23CC3)s1	2247667846	YMROTYDSFWLPPW-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCCCC[C@](C)(N)CCCCC[C@H]1C[C@@H]1C	2248843273	UARDIWIXIGLYNP-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCC[C@H](N)C1	2250479801	YRLZVNXHOWVCCC-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](NC)[C@@H](C)CC[C@H](C)CCCC(C)C	2250480226	DKGSMAJOSDOQSL-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@@H](N)[C@@H]1C	2250513746	JOUCEVPFVDRCEI-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@]12CCC[C@H]1CC2	2251161963	ISTWAVGXXFEKTC-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CC[C@@H](C)[C@H](N)CCC1CC(CC(C)(C)C)C1	2251570061	FYNWHJRENSPAHY-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C(=O)CC2=CCCCC2)cc(C)c1F	2253446847	RYNFYOPNEJHDCR-UHFFFAOYSA-N	246.325	4.516	0	10	BJAE	
C[C@@](N)(CC[C@H]1CCCCC12CC2)CC1CCC1	2253849734	CVRXJQKMVGZCES-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCC1CC(C[C@@H]2CCc3cccc(C)c3N2)C1	2253875238	XGTIZNKEKLBVCG-XUJLQICISA-N	243.394	4.548	0	10	BJAE	
C[C@H](CC[C@H]1CCCCC12CC2)C[C@@H]1CCCN1	2253886820	PBXOMLJCCPRFIV-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC[C@@H]1CCC[C@H](C)C1)c1ccco1	2253929090	HNTJZGCJPMPBPE-SOUVJXGZSA-N	249.398	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2(N)C[C@H]3CC[C@@H](C3)C2)C1	2253997859	SDIPJJUFXWGRAL-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@](C)(CCC2CC3(CCCC3)C2)CN1	2254081540	CNDTXIFWBPOJKE-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(NCC1CCCCCCC1)C2	2254143201	KNFCZYUHLRBJKI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1CC1(N)CC2(CCCCCC2)C1	2255028147	YAXAAFWMPKKSIG-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC[C@H]1CCCC12CC2)[C@H]1CC[C@@H](N)CC1	2255238442	XKOWNTJIUFRRPP-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC[C@H]2CCCC23CC3)C1	2255262636	YIZOEJJJXUKRPP-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
Cc1cc(N[C@@H]2CC(C)(C)C[C@H]2C)cc(C)c1C	2258235164	GDALBAQJJQOPBT-CZUORRHYSA-N	245.410	4.848	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2260605363	OSRCBZWLUYKXIA-SVGFKBNWSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NC[C@]23CCCC[C@@H]2CC3)cc1C	2260620854	LDRRAIUJVUTJQC-NVXWUHKLSA-N	243.394	4.686	0	10	BJAE	
C[C@H](C[C@@]12CCCC[C@@H]1CC2)c1cccc(N)c1	2260651170	JKFTXSPEXYKQHL-UNEWFSDZSA-N	243.394	4.733	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CCC[C@@]2(C)CN)C1	2261295228	GFYXGHCCZFVGSS-KVULBXGLSA-N	249.442	4.524	0	10	BJAE	
CCCC[C@@](C)(CNCCC)[C@@H](C)CC1CC1	2298878479	LKSYNGLEOAFFDG-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@H](C)CC1CCC1	2298896160	NIIOWTPISAYVDX-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)CC[C@@H](CC1=CCCCC1)NC	2300703287	DMOVRFTUQRVLTG-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)CC[C@H]1CC=C(C)CC	2300927744	YCIMWXTWSNEUPR-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C[C@@H](N)CC1CCCCCC1)C1CC1	2301140574	QEWYNEHNUCABFX-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@](O)(CC2CCCCCC2)[C@H](C)C1	2301236112	JSPWIMDZQPNCQR-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc([C@@H]3CC3(C)C)cs2)C1	2302261107	ZRDZAVGNTBHARB-WOPDTQHZSA-N	249.423	4.950	0	10	BJAE	
CCCCC[C@](C)(O)CCCC1=CCCCC1	2302326452	PKNKUWRJEMZAEI-INIZCTEOSA-N	238.415	4.988	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)C1)c1ccc(N)cc1	2302761116	OSEGNPCRNOVIDT-CHWSQXEVSA-N	231.383	4.589	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)C[C@H]1CCC(C)(C)C1	2302899437	ORCRNRKCMFFOEN-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@H]1CC[C@@H]1C(C)(C)C	2303511682	GWWIEBDULMPCDC-DVOMOZLQSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303512468	VBZVGNKDZMHWIR-MELADBBJSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)C[C@@H]1CCC(C)=C(C)C1	2303520372	DEGFPCISYJBLKP-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)C[C@@H]1CCC(C)=C(C)C1	2303527574	VKILTWBGWAEZHL-WQVCFCJDSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@](O)(CC1CC1)C1CC1	2303742415	SOIRUMPEIUFPFG-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(C)(c2nc([C@H]3C[C@H]3C)cs2)CC1	2307683626	NAGZCCYBRYDXIW-OOLXCHQQSA-N	249.423	4.734	0	10	BJAE	
CCC[C@@H](CC)CC1(N)C[C@H]2CCC[C@@H](C2)C1	2307817768	SOGFIMYHYXHHNF-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]1[C@H](C[C@H](CC)CCC)CC[C@H]1C	2307901376	HYAXAPGXFNSWDW-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](CCC[C@H]2C[C@H]2C)Nc2ccccc21	2310434517	STHKAFCKYHYAMB-CBBWQLFWSA-N	243.394	4.801	0	10	BJAE	
CN[C@@H](C[C@@]12CCCC[C@@H]1C2)C1(C)CCCCC1	2311145056	SVCCUCXPMHOKCE-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](N)C[C@@]12CCCC[C@@H]1C2	2311146562	SWNOGPJZDOXOSD-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@@H]1C[C@H]1C(C)(C)C	2311498499	BPTSMEDOLBVHHB-BZUAXINKSA-N	246.394	4.526	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2313645466	QEKOXJGPMZNVDN-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1ccc(C)c(CC)c1	2314697154	LRLOBJMYRUMCKU-CQSZACIVSA-N	246.394	4.957	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1C2(CCC2)C12CCC2	2316241560	VMVWCGZTSYYCCK-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC(=CCC(=O)[C@@H]1CC[C@H]2C[C@@H]21)CCCC(C)C	2316539111	ZLGJCIQMMFGSIP-XHSDSOJGSA-N	248.410	4.764	0	10	BJAE	
CCN[C@@H]1C[C@H](CC=C(C)CC)CC2(CCC2)C1	2316568218	OEPNFONKQKBYGF-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CC[C@H]1C[C@H]2C=C[C@H]1CCC2)NCC	2317156554	VQXBZBPTMJTKDJ-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1CN[C@H](C)[C@@H](C)C(C)C	2317657460	COZUCLWWNOMCNC-LSDHHAIUSA-N	247.426	4.580	0	10	BJAE	
O[C@H](CCC1=CCCCC1)CC1CCC=CCC1	2317965690	LIUQBHWXKQZRCJ-QGZVFWFLSA-N	248.410	4.764	0	10	BJAE	
C[C@@](N)(CCCC1=CCCCC1)C1CCCCC1	2318573036	NEEJTLNVTSUYRY-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
O=C(CCCCC1CC1)C[C@@H]1CCCC2(CC2)C1	2318872425	BNMDBMHOUADJNM-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCC[C@H]2C[C@H]21	2319253182	SNCNTKQRZNIWCN-ARFHVFGLSA-N	243.394	4.548	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCC[C@@H]3C[C@H]23)c1	2319328651	HYTAOWDOSZNDAE-PVAVHDDUSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H]1C1CC1)C(C)=C(C)C	2319548122	AHUCHUKIZZLJNO-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1[C@H](N)C1=CCCCCCC1	2320211768	RVBUFTVTPSIVDV-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@@H](C)C2CCCCC2)CC1	2320263162	KALUACGJGFVPPQ-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCNC[C@]1(C2CCCCC2)CCC(C)=C(C)C1	2320391656	VZOAXQMUQJCVJZ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC[C@@H](CCC2(N)CC(C3CCC3)C2)C1	2321644636	GODYHSRRHMICPC-KTAKPFMOSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)CC2CCCC2)c1C	21811393	WKRKJNYVPWILIH-MRXNPFEDSA-N	245.410	4.500	0	10	BJAE	
CC(C)(C)CC(C)(C)NC1CCCCCCC1	35257342	HCCZBAWHGUBRQH-UHFFFAOYSA-N	239.447	4.904	0	10	BJAE	
CCN[C@H](CC(C)C)c1csc2ccccc12	35555244	RPDYELNCOMKQNB-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CCCCc1ccc(N[C@@H](C)C2(C)CC2)cc1	36984372	ZUCSCMQSQWUZGO-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
c1csc([C@H](NC2CCCC2)C2CCCC2)c1	37414120	UKGFMMSIFURHJV-OAHLLOKOSA-N	249.423	4.512	0	10	BJAE	
CCCC[C@@H](CC)CO[C@@H](C)c1cccc(N)c1	40908496	CMOTVZLDIDPFFL-UONOGXRCSA-N	249.398	4.563	0	10	BJAE	
CCc1ccccc1O[C@@H]1CCCC[C@H]1CC	85151038	ANQXVGNPBCRWGB-GDBMZVCRSA-N	232.367	4.597	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](Nc2ccsc2)CC1	85527701	BXVOVQAZLAMCJA-CHWSQXEVSA-N	237.412	4.765	0	10	BJAE	
CC[C@H]1CC[C@@H](NC2CCCCCCC2)[C@@H]1C	86091015	KKWBYHLWHNEBCF-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](Nc2ccc(F)cc2)CC1	86922602	BMCFYYUVRPSNIQ-HIFRSBDPSA-N	249.373	4.843	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CCCC[C@@H]1C(C)(C)C	87164182	JWYLVNXZCLVMJL-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCc1ccc(NC[C@@H]2CCC[C@@H](C)C2)cc1	89604997	PMGQOQWGTGDLCL-GDBMZVCRSA-N	245.410	4.877	0	10	BJAE	
CCC(CC)[C@H]1C[C@H](c2ccccc2)CCC1=O	94676065	UCDUEDDNIPGBKZ-HZPDHXFCSA-N	244.378	4.576	0	10	BJAE	
CCCC1CCC(N[C@@H](CC)c2ccco2)CC1	109933076	MZWHLFQXDREPSG-NRXISQOPSA-N	249.398	4.679	0	10	BJAE	
CCCCCC[C@H](CC1CCC1)NCCC	128484834	IQLXKNSLGBFOKI-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)CC(CC)CC	149103010	RMOYSZVPWQDFEG-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
O=C1CCCCC[C@@H]1c1cccc2ccsc12	163408679	MCYWKIGLIWUVFD-GFCCVEGCSA-N	244.359	4.518	0	10	BJAE	
Clc1csc(-c2ccc3ccccc3c2)n1	165398489	BLTXVGYPGIOPDQ-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
C[C@H]1CC(C(=O)CC2CCCCC2)C[C@H](C)C1	166022895	AONJWGXEVWNMOS-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)CC1CC1	167649479	IJRIEEBZZBZHEU-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCc1cccc(C(=O)[C@H]2CCCCC2(C)C)c1	226793735	OBNZZGPJCBRHHL-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
O=C(CC1CCCC1)c1cccc2ccsc12	229329154	LYCKAISOCCNMMG-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCC[C@H](CC(C)C)C1	230788344	BDKDOBRCWXEPSD-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1cccc(NC2CC(C(C)C)C2)c1	232541386	CFAHJHWMNQCDSJ-UHFFFAOYSA-N	231.383	4.657	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@H]([C@H]1CCC[C@@H](C)C1)CN2	235355466	QLRSCXGXBMAGMV-WPGHFRTFSA-N	243.394	4.639	0	10	BJAE	
Cc1cc(C)cc(O[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	250967048	ZPDSRDNNUSTOGY-FOLVSLTJSA-N	232.367	4.507	0	10	BJAE	
CCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NCC	251380729	ROKYZZBARBFBAR-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@H]1C[C@H]2CC[C@H]1C2	253039314	JMNZLVRBCZCCFQ-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](O)C2=CCCCCCC2)C1	300144257	XZSUMVRMMPZCCW-JQFCIGGWSA-N	248.410	4.620	0	10	BJAE	
CCCC[C@@](N)(CC)CCCC(C)(C)C	300807787	FLTJMDMOICCVEX-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1n1ccc2ccccc21	301321511	LVHPJFJQQQDAFA-UKRRQHHQSA-N	227.351	4.783	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCCC(C)(C)C)[C@H]1C	302314910	PLUHPNITESEXJF-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2/C=C/CCCCC2)cc1	302464289	PNNHHTQMESFHRD-LKEBIXNSSA-N	243.394	4.535	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCC1CCCC1)NC	305961205	OOFUKPUEPKOHQL-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc2scc(CC)c2c1Cl	307456995	FDDQNBQHGNDFJY-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H]([C@@H]2C=CCCCCC2)C1	310067462	HJJWHSNFKIJAOY-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](C[C@H](C)C1CCCCC1)NCC	310353295	RFPDUABOMYIGCU-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)C[C@@H](C)C1CCCCC1	310556775	IMSZKQYFHYVABJ-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CC2CCC1CC2	310892882	UXRNFCQWYNULDM-XTZTZFPZSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C[C@H]2CCC[C@H](C)C2)c1	311013334	PMZZLKNTZOERME-YLQAJVPDSA-N	245.410	4.520	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@@H]1CC1(C)CCCC1	311122784	HLEFXSZXSSMVSO-XJKSGUPXSA-N	243.394	4.630	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNCCCC(C)(C)C)C1	313281657	LLAHYBQHTUKTHR-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CC[C@@](CNC2CC2)(CC2CCCCC2)C1	318171845	IJCXJJIBFTWQIR-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](c2nc3c(C)cccc3[nH]2)CC1	328241031	IJSHPZDFVSUOQN-JOCQHMNTSA-N	242.366	4.555	0	10	BJAE	
CC(C)CCCCC[C@H](C)[C@H](C)NC(C)C	383173001	SNVWCIKAWUAXLJ-GJZGRUSLSA-N	227.436	4.616	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1N[C@H]1CC12CCCC2	386954049	XHWCXVGJAKKRCR-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCc1cc2cc(C(F)F)c(C)cc2s1	396196998	HZCVQMIMPXWNSP-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CSc1cc2c(F)csc2cc1C(F)F	396236669	ILDDANFRADCCQT-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
COc1cc(C(F)F)c2ccsc2c1Cl	396288732	IJTRAUDCSSEDEP-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@H](CCC2CCC2)C1	398859652	RFKZCOLADNIKNO-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H](C)C(C)(C)C	399151967	GJEUEXSEUCKNKJ-ZIAGYGMSSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1ccc(C)c(C)c1	401587261	NVMZGBVDIGOWKQ-HZPDHXFCSA-N	245.410	4.932	0	10	BJAE	
CCNC[C@]1(C[C@H]2CC=CCC2)CCC[C@H](C)C1	402151919	OFOJMQJKSSYDHH-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@@H]1CC=CCC1)CC(C)(C)C	402245083	HRFIZEBIXCDPLI-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@@H](C[C@@H]2CC=CCC2)C1	402379589	XMVQZUXPZXATEO-QBPKDAKJSA-N	249.442	4.524	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1CC[C@@H]2C[C@H]2C1	403119201	MYWTYLNSROMXAB-RBSFLKMASA-N	244.378	4.625	0	10	BJAE	
CC(C)(CC[C@H](O)C1(C)CCCCC1)C1CC1	406053376	FQJOFKUNKJZZEZ-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@@H](C)SC2)c1	689396565	ALBUAPDKIJVXJM-IUODEOHRSA-N	249.423	4.506	0	10	BJAE	
Cc1cc(N[C@@H]2CCC2(C)C)cc(C)c1Cl	690258355	MUYSJFHMFGWYPR-GFCCVEGCSA-N	237.774	4.557	0	10	BJAE	
CCC(CC)CC1(CNC(C)(C)C)CC=CC1	690475502	ZVRQSZUXQDLDJO-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](C)CCC1CC1	691071952	FCFLYFFCWIVVCA-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1cc(F)ccc1C	691142218	VFAKJBZFEDOUTL-UKRRQHHQSA-N	249.373	4.905	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCC1CCCCC1	691181962	CIBUBHSIIUKEOL-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC2CCC3(CC2)CC3)C1	695972818	FTNQKOQYZRRHBR-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CCCC1)CC(C)(C)CC	696245994	BNRLQDWNBRKCTC-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C1(C)CCCC1	696563142	WOBWDUAOESHQOX-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccc(C(=O)CC(C)(C)CC)cc1	697262091	SCTRDYZHSYGLOS-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CC(C)=CCCc1ccccc1C1CCC1	697987437	OIOOHNXNBTVEFL-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](NC)C(C)(CC)CC)C1	701131818	BVTGGYWOSPRBMJ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)C(C)(C)CC	701170122	FMJBWMXLZMCOIY-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](NC)C(C)(CC)CC	701197435	HZVREZGOODPMIZ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)CC1CCC1	704930501	FSSPZTBVEGKDFK-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C1CCC(C)CC1	704960740	ZFNMLOAWOSPXAM-GRAKBVBRSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@@H](C2CCC2)C2CC2)c(Cl)c1	705302740	KTCVUBWESSJDAL-HNNXBMFYSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CC2CCC1CC2)C1CCC1	705380427	CKYDAEGTSSQCDL-OCUYMYNFSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@](N)(C1CCC1)C1CC1)C1CCCCC1	705391398	UAHABNZJFZRRTJ-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(N[C@H]2CCCC23CC3)CC(C)(C)C1	706988700	XTIWVMVLJOEISW-AWEZNQCLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CNc1cccc(Cl)c1)CC(C)(C)C	709073923	HIFBGXQNQVNPRI-LLVKDONJSA-N	239.790	4.824	0	10	BJAE	
C[C@H](/C=C1/CCc2cc(N)ccc21)CC(C)(C)C	709088413	REIKMTRWKKBZLQ-FNWMBBJUSA-N	243.394	4.671	0	10	BJAE	
CC[C@](O)(C[C@@H](C)CC(C)(C)C)C1CCCC1	709129865	IJSSGVCGFCOCHC-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@H](O)CC(C)(C)C1CC1)CC(C)(C)C	709168895	TVJKVVNXOITRCQ-JSGCOSHPSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C[C@@H](CCCC(C)C)NC)C(C)(C)C	711100418	YWYPZYOTFJIYJQ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C[C@H](CC)C(C)(C)C	711105496	NLPXCOUPTIDKRM-AVGNSLFASA-N	226.404	4.700	0	10	BJAE	
CC(C)(C)CC1(CNC(C)(C)C)CCCCC1	713133697	NHHWIQJTKSVLBN-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
C=C/C=C\CCCc1ccc(C(F)(F)F)cc1	713648064	VRWHCASFHZLQMO-ARJAWSKDSA-N	240.268	4.770	0	10	BJAE	
C=C/C=C/CCC(=O)c1cc2sccc2s1	713667209	VWUWDHZWTDGVHS-ONEGZZNKSA-N	248.372	4.668	0	10	BJAE	
C/C=C/[C@H](C)Cc1cc(Cl)ccc1Cl	714535578	IOENIGMDJCPHIP-NWALNABHSA-N	229.150	4.748	0	10	BJAE	
CC(C)=C(C)CC[C@H](C)[C@@H](C)CNCC(C)C	718492070	HCHVWFVCCHVKPS-HOTGVXAUSA-N	239.447	4.641	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CCC(C)=C(C)C)C1	718728342	ISJBLLLFMWEDES-HZPDHXFCSA-N	237.431	4.668	0	10	BJAE	
CCC[C@@H](C)[C@@](O)(CC)CC1CCCCC1	720977148	MABZFNVRBSWEJB-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1ccccc1C(C)C	721692280	MTYKBLLPIVMTIJ-HNNXBMFYSA-N	233.399	4.636	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1c(C)sc(C)c1C	722474264	FZPSZEYQXTUVEO-LBPRGKRZSA-N	240.412	4.533	0	10	BJAE	
C[C@H](CN1CCCCCCCC1)CC(C)(C)C	1559841367	HNWIHCLDAMNDJC-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
C1CCCC(CN[C@H]2C[C@H]3CC[C@H](C3)C2)CCC1	1656107516	XBLWACZDLFLZSO-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1SC(C)(C)C	1775954553	QQJYMZBAEGFZCN-UHFFFAOYSA-N	208.370	4.701	0	10	BJAE	
CCCCC[C@@H](CCC(CC)CC)NCC	1900698463	VCZWXXUTUNTWIL-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCCCCCc1cc(Cl)c(C)cc1OC	1901884218	FPCFUXNVYATSOQ-UHFFFAOYSA-N	240.774	4.780	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](O)CCC1CCCCC1	1908554701	GFKQATIWEAJNCS-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@@H]1CCC1CCC1	1913431857	YVZFEIHMDFFETB-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCC3(CCCCC3)C2)C1	1915872871	UQQZBHIEVWUTOS-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCC1(CN[C@H]2CCC3(CCCC3)C2)CCCC1	1916442565	OJZXBPJPPVUWOA-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCCCCC[C@](C)(O)CCC(C)=C(C)C	1919968755	DAZKEXAZPRRIFR-HNNXBMFYSA-N	226.404	4.844	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H](C)C(C)(C)C	1919969772	LTWHYDNBHCAMOK-ZFWWWQNUSA-N	228.420	4.780	0	10	BJAE	
CC(C)CCC[C@](N)(CC(C)C)c1ccccc1	1920484350	NKZWTHDEKQGYCJ-KRWDZBQOSA-N	247.426	4.713	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(CN)CCCC23CCC3)C1	1921655990	CCVXRJOEDFNCIR-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
C[C@H](C(=O)[C@@H]1CCCC[C@H]1C)C1CCCCC1	1924080017	ZZYBFBNMYXJYGH-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCNCC1CCC(C)(C)CC1	1926159061	FRJIFNZVBDIRNB-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(Cl)cc(-c2nc(C3CC3)cs2)c1	1935900406	HQVLCHBWSNPKMI-UHFFFAOYSA-N	249.766	4.649	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@H](Nc1ccsc1)C2	1939222484	SHUOQZNTFBNNID-XBFCOCLRSA-N	235.396	4.519	0	10	BJAE	
CC(C)c1ccccc1C(=O)CCC1(C)CC1	1940791506	VHUQDLYGWWHELX-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@](C)(O)C1CCCCC1	1940873562	RIJYYFQTACNEAV-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CCCC2CCC2)C1	1941466031	WDRXLWBUYDUQTM-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CNCCC)C1CC1	1942091454	SIDUNKAEUPJLLC-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H]([C@@H](C)CCC(C)C)C1	1942654467	ARAGWHQFWUYDRR-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](CC)c1ccccc1	1942801704	SSNAHKXMUULJNN-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C(C)(C)C1CCCCC1	1944642233	PFLJXHGFECXPGV-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](C[C@@H]2CCC[C@H]2C)C1	1944795765	WUQWTGYYIZBKBQ-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2CCC(C)(C)C2)CC1	1945585690	UZSPJBHYQQUEFY-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C(=O)c2cccc3sccc23)CC1	1945971007	VTIBKIRTORHCNG-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
C=CC=CCCNC1CCCCCCCCC1	1947879617	QUEKSOZTKILVCV-UHFFFAOYSA-N	235.415	4.601	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)CCCC2(C)CC2)C1	1949052290	VKHSBVPLINEOGI-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C[C@H](N)[C@@H]1CCC(C)(C)C1)C(C)(C)C	1949527831	CIYICFVZFIDMGY-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
C[C@H](NC1CC(C2CCCCC2)C1)C1CCCC1	1967800312	YKOHPMKIDTZKFX-IGEOTXOUSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCCCC23CCC3)C1	1967800726	ZGWNNZDKXKXKMT-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCN(CCC(C)C)C[C@H](C)C(C)C	1968282351	GJBNVRMFXMFIQC-INIZCTEOSA-N	241.463	4.673	0	10	BJAE	
CC[C@@H](NC[C@@H]1CCCCC1(C)C)c1ccco1	1970081082	BGEPEJKYTGBCLC-UONOGXRCSA-N	249.398	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@@H]2CCCCC23CC3)C1	1972741595	FDLBZIZXBCPXIQ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H](N[C@@H]2CCCC3(CCCCC3)C2)[C@@H]1C	1973864291	UQMQIYLSILSDSE-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCCCCC[C@H]1O	1980340092	SNJFTAHJOQZPMM-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCCC1(CC(=O)CC(C)(C)CC)CCC1	1988426940	FOAJPEGITWCNEQ-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)CC(C)=C(C)C	1989651329	FKIJOIXOZLJISY-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@](C)(O)CCC1=CCCCC1	1991142964	JZTVNUKNWWZFDO-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cc(Cl)ccc1C	1993491659	PLUYHJRZPQJQQZ-NSHDSACASA-N	238.758	4.657	0	10	BJAE	
CC1CCC([C@](C)(N)C2(C)CCCCC2)CC1	1995985648	LAYTYHJJMLYNIU-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CC[C@@](O)(C1CCCCC1)C1CCC(C)CC1	1996546408	JXCATXBWDXBGLJ-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CCNC[C@@H]1CCC[C@H](CC)CC1	1997216157	TUDCKURQPURZAJ-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C1(C)CC=CC1	1997544558	SWRZMKVAJWXQGJ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@@H]2CC)cc1	1998750849	BNUDSLWISUKKBZ-HEHGZKQESA-N	231.383	4.801	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)C[C@@H]1CCC=CCCC1	1999981653	QFMJDWPYFVPIKT-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](C1CC(C)(C)C1)C(CC)(CC)CC	2000370443	CREVMDDDAILUPS-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CN(CC)[C@H]1CCCC(C)(C)C1	2000907482	OYJGSYYCRDRZRR-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1[C@H]2CCCC[C@H]21	2002219722	IKWKQPJPQHVLCE-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H](C)[C@H](C)CC)CC1	2002926233	OWXNPAXWSOMTPY-OXLPJUHDSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)[C@H]2CC[C@H](C)CC2)C1	2003067438	SNFNCXMJIRRIGT-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)CC2(C)CCCC2)C1	2003184073	GLHQZPOSOGZBAB-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1[C@H](CC(=O)C2(C)CCCCCCC2)[C@@H]1C	2004941971	NLAXXZQGTQMTHY-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@]1(CNC)CCCCC12CC2	2005566603	XJXYDLPSYPTWRB-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CC=CCCC[C@]1(CNC)CCC[C@H](CC)C1	2009617663	VESFWJOHHDPELS-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC=CCCC[C@@](C)(CCCC)CNC1CC1	2009620737	XRTIOJRLLRRFRY-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)[C@H](NC)C1=CC[C@H](C)CC1	2010623685	JDRJYLZYFVRUOE-BBRMVZONSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](O)CC1=CC[C@@H](C(C)(C)C)CC1	2010714022	PEQPSWNLRNRIAZ-CABCVRRESA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@]12CCC[C@H]1C2	2011009821	BEFUYZGLLZMVHC-OFQRWUPVSA-N	236.399	4.742	0	10	BJAE	
CCCNCC(CC)(CC)CCC[C@H]1C[C@H]1C	2011581462	VGDNIYSVWOVSMG-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC[C@@](O)(CC)CC1CC2(C1)CC(C)(C)C2	2011838740	WXTQMBNRVOEKDT-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](CNC(C)(C)C)(CC(C)(C)F)C(C)C	2012437938	XHGVUHPRQHCKQM-HNNXBMFYSA-N	245.426	4.565	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C[C@H](C)C(C)C	2015276369	XQLLECZEJUVZJV-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CCCC1CCC(N(C)C[C@@H](C)C(C)C)CC1	2015335834	NLFZAEPIQMDWDJ-QQFBHYJXSA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@@H](C)CN(C)[C@H]1CCCC(C)(C)CC1	2015338289	IFDJVTZMUBFWLN-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)[C@@H]1CCCC(C)(C)CC1	2016412653	SAUNSSRAYJRXLN-IOASZLSFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@@H](C)[C@H](C)CC)CC1	2017663733	XQXNVIWOGADCIF-LXTVHRRPSA-N	238.415	4.844	0	10	BJAE	
CCC1CCC(CCC[C@H](O)C(C)(C)C)CC1	2017716422	RWPWOIBDIXOUHR-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C)[C@H](CC)NC)CC1	2017720880	ISXCLUZDCLCPND-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC(C)(C)C)C[C@H]1CC[C@H](C)CC1	2017721151	JSCVLGWDXYELRD-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CC)C[C@H]1CC[C@H](C)CC1	2017725043	PQSJUNFJAGTZFZ-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)c1cccc2sccc12	2017809194	WWUVJRMBDWNYGE-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H]1[C@H]2CCCC[C@H]21	2018129166	IDLIIVSUBKCQQW-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)CC1(CC)CC1	2018975804	QEEGGPMIWCOFRB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@@H](C)C2CCC2)CC1	2019772176	YPBKKSHWGOJFNZ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)c1cc(C)c(C)s1	2023980460	RJKVILNNYDTJAD-IINYFYTJSA-N	248.391	4.540	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)c2cc(C)c(C)s2)C1	2023991379	MLKARTAFNZRNIL-TVQRCGJNSA-N	248.391	4.540	0	10	BJAE	
CC1(C)CCC[C@H](C[C@](C)(O)C2CCCC2)C1	2024124067	OEYNXAXPSYRNTI-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1CCCC(C)(C)C1	2024129123	SBPXNIDKSAQHRC-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC(C)=C(C)CCN(C1CC1)[C@@H](C)c1ccco1	2027024031	XMZLNNVNBXYUPH-AWEZNQCLSA-N	247.382	4.551	0	10	BJAE	
CCCCC[C@H](NCC)c1cccc(C2CC2)c1	2028551153	CINPQUUPLQDOEB-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
O=C(CC1CCC=CCC1)C1CC[C@@H]2C[C@H]2CC1	2028964288	JKZWNLBCDUONPJ-HZPDHXFCSA-N	246.394	4.518	0	10	BJAE	
CCCCCC[C@H](O)c1cccc2c1CCCC2	2029686597	MGEHVBFPITWOCH-KRWDZBQOSA-N	246.394	4.569	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1CC(C)(C)CC2(CC2)C1	2030289418	YLDAGDPTEFZSEN-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCC[C@H]1CCC[C@H]1C)c1ccccc1	2032512331	AFZHWHOHLSURST-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CCC[C@H]1C[C@H]1C[C@@H](C)Nc2ccccc21	2032516257	XYJBIALGXWHPEI-LJISPDSOSA-N	243.394	4.801	0	10	BJAE	
CC1(C)C[C@@]1(C)CN[C@H]1CCCC2(CCCC2)C1	2034363343	LTONDFHTWFEMMM-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CC[C@@H](C)[C@H]2C(C)C)c1	2035406262	APQDMJZHKRWOQW-XNRPHZJLSA-N	249.373	4.617	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H]1CC12CCCC2	2036095230	PDWLMEKWJBMPFJ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)NC[C@]1(C2CCCCC2)CC12CCCC2	2036101914	VZAIPTZCMDIFTN-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CC[C@H]2CCCC[C@H]2C1	2037172435	VKRKXBLHXJOBFR-IKGGRYGDSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)CC1CC2(CCC2)C1	2038079570	XCGDOUDMRFLTRS-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NC[C@@H]1CC12CCCCC2	2039078393	HPSRFOOPWZICBS-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@H](N)CC1CCC(C)CC1	2039434473	JMSFORJJQLKGBD-SXZFUBFOSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)C1CC=CC1	2042023376	AUKRKFQLQMOIJI-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CCC[C@H]1CCC[C@@H](N[C@H](C)c2ccoc2)CC1	2043060250	RPXNMUSLELJIRB-IJEWVQPXSA-N	249.398	4.679	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)c1cccc(F)c1	2045310411	CPVVBVQEOUPSIL-ZDUSSCGKSA-N	246.325	4.535	0	10	BJAE	
CC1([C@H](N)C[C@H]2CCC=CCCC2)CCCCC1	2045319393	CZKBHMHAOGNCJX-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CCC[C@H](N2CCC3(CCCCCC3)C2)C1	2045519706	DOOMOHYLHDSJGO-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCCc1cccc(C(=O)C2(C(C)C)CCC2)c1	2045571175	QZNIEPWPNADGAD-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@@H]2CC23CCCCC3)C1	2047065659	OZFYPDXRFQVLGI-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1N[C@H]1CCCCC12CCCCC2	2047591596	ZTYAGOCQCCNKJK-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@@H]1CCC12CCC2	2047934043	YKXQHKDSKUEBLC-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC1(C(=O)C[C@H]2[C@H]3CCCC[C@H]32)CCCCCC1	2048465326	IFZNUGMJLSOMBM-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C(=O)[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2049171264	UTDQVOPFXXJLCE-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(C(=O)CC2(C)CCCC2)c1	2049788244	ITUJISDEWZLEPO-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@]1(C)C=CCCC1	2049998497	VYCZDLOLFRMDFI-IAGOWNOFSA-N	243.394	4.556	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](NC)[C@]2(C)C=CCCC2)C1	2049998651	WVBUTMQHNXBUJX-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](O)CCC2(C)CCCCC2)cc1	2050428112	DIOCEFVOOSLPSB-MRXNPFEDSA-N	246.394	4.779	0	10	BJAE	
CN[C@H](CC[C@H](C)C(C)(C)C)c1ccc(C)cc1	2050429618	YRXLRUZOSMXQIZ-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
CC[C@@H]1C[C@H](CC2CCC=CCC2)C[C@H](NC)C1	2055035786	VXAVUNSAGMIACJ-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCC(=CC1CC(C2CCC2)C1)CNC(C)(C)C	2058178041	RVKUDWVYLNHQQN-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1cc(C)ccc1F	2059249705	JZXOMQIGJWTGHD-NBUZRDOWSA-N	249.373	4.531	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@H]1[C@H]1CC12CCCCC2	2059469462	JNYVYJIQNOBUQE-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
C=C=CCC[C@H](NCC)C1CCC(C(C)C)CC1	2061565008	AWGYQFVDRVCINA-JCYILVPMSA-N	249.442	4.548	0	10	BJAE	
CCc1ccc(OCC2CC(=C3CCC3)C2)cc1	2061708001	YGJKTARDKGNLIX-UHFFFAOYSA-N	242.362	4.518	0	10	BJAE	
CCCNCC(=CC1CCC2(CC1)CC2)C(C)C	2062825427	HVYOWFRTGLFFRA-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CC2(C1)CC21CCC1	2064010754	RSVKXRHWLDTGDO-ODIFPOPNSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CC12CCC(CC1)C2	2065276397	CWFSVRUKMMDUNV-RZFLTCLSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC23CCC(CC2)CC3)[C@@H]1C	2065339345	LKUQVBRRUZIARP-AXRJEEMOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCC12CCCC1CCC2)C1(C)CCCC1	2067519363	FOQOYDXQZCQMEA-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)c1cccc(C(C)(C)C)c1	2068823222	PJILPXUOGOTFOT-CJNGLKHVSA-N	248.410	4.700	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC2(CC3CCC3)CC2)CC1	2069580116	HHIIDRAVTMOHMC-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccc(OC[C@]23CCC[C@@H]2C3)cc1	2070917513	KNAQBHARPSZBNP-RHSMWYFYSA-N	244.378	4.553	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCN[C@@H]1CCCC12CCCCC2	2071464823	HDKNMYKECUYFLY-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1ccc(F)c(C)c1	2072419004	WJARMDHUMSJUSY-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc2c(c1)CCCC2	2072832407	IYHLIEAVPAORNA-ZDUSSCGKSA-N	245.410	4.802	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2CC23CCCC3)CC1	2072882066	RADOFJCYJBVZTC-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)c1cc(C)cc(C)c1	2074641609	KODHMTXNVVQRKY-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC[C@H]3CCCC[C@@H]32)C1	2074891162	FILXRPZSONQAKQ-NCOADZHNSA-N	249.442	4.610	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CNc1ccccc1C1CCC1	2079627569	VJGGJMZDMPDJQQ-HOCLYGCPSA-N	243.394	4.658	0	10	BJAE	
CC1(C[C@]2(N)CCC[C@H]3CCCC[C@@H]32)CCCC1	2081132493	JYRAVXQCLGRFBU-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](CC)C1CCCC1	2081944866	NTXRQINKGLZHDL-OAHLLOKOSA-N	249.373	4.769	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCC[C@@H](CC)C1	2081946359	GPTUZOGDLSJTQC-DOMZBBRYSA-N	249.373	4.769	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H](CC)C1)c1cccc(C)c1	2085253411	UWCZMOALCGIECH-OIISXLGYSA-N	245.410	4.614	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(C[C@@H]2CCC=CCCC2)C1	2085308430	REEFEORNEMMAET-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@H]2C3)CC1	2086159681	QGDNQZBBOMMMNN-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@@](C)(O)c1cc(C)sc1C	2211646871	RYOOTVRAQLFDLM-CQSZACIVSA-N	240.412	4.543	0	10	BJAE	
CCCN[C@@H]([C@H](C)CCC)C(C)(C)CCC	2212117204	NRSGXCTUGMENDD-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(Cl)cc(CC=Cc2ccccc2)c1	2213824977	NIZFYTQXIWPMQX-UHFFFAOYSA-N	242.749	4.904	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@H]2CC[C@@H]2C)CC1	2214969769	HNEBLTSSNCDJEG-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H]1CCCCCCCC1=O	2215324474	LCLDWJDKLHZEIQ-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@H]2CCCC2(C)C)C1	2215434473	SBSSWYPYDYYXPW-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCc1cc(C(=O)[C@@]2(C)CC=C(C)CC2)cs1	2215824137	PXOADBRBUKOGRC-HNNXBMFYSA-N	248.391	4.630	0	10	BJAE	
CCCN[C@H](CCCC(C)(F)F)C(C)=C(C)C	2216271228	HPYOMCJUVRKJCR-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CC[C@@H](C)NCC1([C@H](C)CC)CCC=CCC1	2217156320	KEMABRHPUGQVAL-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218344452	VNTZPNLEOVRVJW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)C[C@H]2CC[C@H](C2)C1	2218726633	OCJJZWKSEBGWOF-FVQHAEBGSA-N	249.442	4.645	0	10	BJAE	
CC(C)NC[C@]1(CCCCC2CC2)CC=CCC1	2220028899	XDKMKUHBINGSRD-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@H]1CC=CCC1	2220044415	FKXVXAOJDNGQMA-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@@H]1CC=C(C)CC1	2221667642	MCVYLSGBRYDRCE-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)C[C@@H]2CCC[C@H]21	2223154385	JFPKPCOGHNIJOU-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC(C)(CNC1CCC1)[C@H]1CCC2(CCCC2)C1	2223541226	GSBCVWBSMHVJFD-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@H](CC(C)(C)C)c1ccccc1	2223558502	MVEYUCYRQZYCPH-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H](C)c1ccc(C)cc1	2223970119	VGHFKYXWNGTVKB-HOCLYGCPSA-N	247.426	4.642	0	10	BJAE	
CC(C)CCC[C@H](C)CCNCc1ccccc1	2242068909	SJKMSMMPLHNVLG-INIZCTEOSA-N	247.426	4.629	0	10	BJAE	
Cc1ccc(Cl)c(NCC2=CCCCC2)c1	2243228494	BMJGTPLELDZEEQ-UHFFFAOYSA-N	235.758	4.561	0	10	BJAE	
CC(C)C[C@@H](O)CCC[C@H]1CCCCC12CC2	2246617926	PUEHBXFCDMXARV-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CC[C@@H]1CCC[C@H](C)C1	2246664592	PREBKPOFBSMTNJ-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](O)C2(C)CCCC2)C1	2246723850	BUAIBFLVBPQEKV-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2(N)CCCCCC2)C1	2246732182	JKMDZOQGCWLAFX-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CCC1([C@H](N)CCCC[C@@H]2C[C@@H]2C)CCCC1	2247126242	CHCPHFBNJGZLAL-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
Cc1cc([C@@H](O)[C@H](C)C(C)C)cc2ccsc12	2248580999	FVTKMVFTAWPGHD-RISCZKNCSA-N	248.391	4.535	0	10	BJAE	
CCCC[C@H](CC)NCCCCC[C@H]1C[C@@H]1C	2248867673	XABQUXKAZLPJQV-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](C)CC1=CCCCC1	2250390663	SQXOBSFULADINS-HUUCEWRRSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@H](NCC)[C@@]12CCCC[C@@H]1CC2	2251107005	UAEVQFDUPUXHCG-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@@]12CCCC[C@@H]1CC2	2251122439	DCHWBFDXVKYSFQ-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@@]12CCC[C@@H]1CC2	2251168282	UUYMWNOLDGLOLF-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@]12CCC[C@H]1CC2	2251168520	WJDSOQNPONFTBA-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@]12CCC[C@H]1CC2	2251212496	RQLGOQNPKBIGDL-HRCADAONSA-N	237.431	4.645	0	10	BJAE	
CC1CC(C)(C[C@@H](N)C2CC3(CCCCC3)C2)C1	2253773270	QUHVAWFWZXGFNG-OGVSOVDVSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(CC[C@H]2CCC[C@@H](C)C2)C=CCCC1	2253939892	WKMIDQUAZNKPJJ-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@@H](C)C1)c1cccc(N)c1	2253999687	YHKWGWCLRDBQCX-HIFRSBDPSA-N	243.394	4.889	0	10	BJAE	
CCCN[C@@H](CC1CC1)CC1CC2(CCCC2)C1	2254113529	ORRBBOCHSMWLCO-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(NCCCC[C@@H]2C[C@@H]2C)ccc1C	2254502003	IIERGMYECMOJHU-GOEBONIOSA-N	245.410	4.796	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN[C@@H]1CCCCC12CC2	2257340430	OCJANMAMGUGLMJ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(NC2C[C@H]3CC[C@@H]3C2)c1	2257869380	LCSYRBZPWCPQLN-CHWSQXEVSA-N	243.394	4.585	0	10	BJAE	
CC(C)(C)C1CCC(=C2CCCCNCC2)CC1	2259669552	QYZZDSDGYHVJSQ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@]23CCC[C@@H]2CC3)c1	2260516412	MQEJVMUYFVYBJK-NVXWUHKLSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@]12CCC[C@@H]1CC2	2260531328	BJXUGXIDHIUCMO-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CNC[C@@]23CCC[C@H]2CC3)CCC1	2260543095	RMXRHCVJEDQYNT-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@@]12CCCC[C@H]1CC2	2260570478	PMVZTHXQHOQXSJ-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@]23CCC[C@H]2CC3)C1	2260582950	MCGPUJANQGNIDX-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@@]23CCC[C@H]2CC3)C1	2260582951	MCGPUJANQGNIDX-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CC12CCCCC2	2300685135	BHENVLYBFLXNRJ-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@H]1CCC[C@@H]1CCC(CC)CC	2300698623	BDKLAFRPRBOZHE-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
OC[C@@H](CC1CCCCCC1)C1CCCCC1	2301238981	LRWDOIFBHWHYQA-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CC1(C)C[C@@H](O)C[C@H](CC2CCCCCC2)C1	2301240402	ZCUKWJMYZSZUQU-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NCCCC1=CCCCC1	2302331139	JDVRAROFPANNKQ-HUUCEWRRSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C[C@H]1CCC(C)(C)C1	2302691923	VLNSJYZAKNPPAL-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CCN(C)C[C@H]1CCC(C)(C)C1	2302754862	DLQNKROTUJMPBW-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C[C@H]1CCC(C)(C)C1	2302895398	IITBFSQNLWLPMG-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](N)(CC)CC[C@@H]1CC[C@@H]1C1CC1	2303160580	VWHHUXSVKCKMIH-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@@H]1CCC[C@H](C)C1	2306838373	ZQFWZIDJHWTOQT-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CN[C@@H](C)CC)C1CC1	2307837842	LAGWTQPVORYARR-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H]1CCC[C@H](C)CC1	2307891109	ABKKVWWBWITPOF-HRCADAONSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@H]1CCC[C@@H](C)C1	2307909926	MDXLIDXZXLNACY-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@H]1C[C@H](C)Nc2ccccc21	2311571939	UDEQGUAQWDRGBK-NHIYQJMISA-N	243.394	4.657	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCC1	2311607845	IWCNYNLYOIWEMP-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C[C@@H]2C[C@H]2C2CC2)C1	2312671017	UZLANRGHTLUSQL-CXUGXGMPSA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(C1CCCC1)C(CC1CC1)CC1CC1	2313599460	YIFSFRZJUDBMBP-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](C)CC2CCC2)cc1	2313601287	XMEKZSBLWAEPHR-CYBMUJFWSA-N	244.378	4.648	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@@H]1CCCCC12CCC2	2313624189	YMEIXLKTXVWAOK-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC(=CCN[C@H]1CCCCC[C@@H]1C(C)C)C1CC1	2315278361	LUXGZTLUINTRLZ-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@@H](NCC)c1ccccc1CC(C)C	2316500544	AOXJHGITXMDJEN-QGZVFWFLSA-N	245.410	4.502	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)[C@H]1C=CCCC1	2316874998	URKZUBYEQWOTDZ-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCCC1=CCCCC1	2318575811	IZSOOYHOTCMEGX-KRWDZBQOSA-N	249.442	4.992	0	10	BJAE	
C[C@H]1CCCCCCN1CCCC1=CCCCC1	2318582912	JFLBZBQNYYEWLM-INIZCTEOSA-N	249.442	4.922	0	10	BJAE	
CC1(C)CC[C@@H](CC2(N)CC3(CC(C)(C)C3)C2)C1	2319033428	BLYAJINCYHBUJC-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)c2ccccc2F)C1	2319107487	BWXYLIQATJSPSO-LBPRGKRZSA-N	248.341	4.615	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CCCC[C@H]2C[C@@H]21	2319232758	BGYHONOXEMRIGW-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H]2CC[C@H]2C(C)(C)C)c1	2320320398	NUPPDNLQCRZNER-GOEBONIOSA-N	245.410	4.788	0	10	BJAE	
Cc1cccc(F)c1NC[C@@H]1CC[C@H]1C(C)(C)C	2320320544	PDSVVVUDAKMXGO-QWHCGFSZSA-N	249.373	4.618	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H](CC1CC1)C1CC1	2320523123	JTKDOBDTFOXRAK-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)c1ccc(C=CCCC(C)(C)N)cc1	2320797302	QXWAMQFDSGLBMC-CQSZACIVSA-N	245.410	4.731	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)CCCc1ccccc1	2328281631	IYDQPPGCAZWIQY-DOTOQJQBSA-N	247.426	4.553	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)c2ccccc2)c1	21032453	WRHFJLPEEJPOLO-AWEZNQCLSA-N	239.362	4.983	0	10	BJAE	
c1ccc(-c2cccc3sccc23)cc1	34288294	NJCJOKLCLFCCON-UHFFFAOYSA-N	210.301	4.568	0	10	BJAE	
CC[C@H]1Sc2cscc2S[C@@H]1CC	39102981	HQLCDYKEPBBYFO-HTQZYQBOSA-N	230.423	4.503	0	10	BJAE	
CC[C@H](N)C[C@H](C)CC[C@@H](C)CC(C)(C)C	44405691	UVIMSFKQYKGECC-MCIONIFRSA-N	227.436	4.602	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(CC2CCCC2)CC1	87187748	DAPKZXKTZDTPPJ-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](NC)c1cc2cc(C(C)C)ccc2o1	88074730	QJNCFXQJRIWLOP-CQSZACIVSA-N	245.366	4.617	0	10	BJAE	
CCC(CC)[C@H](C)NCc1c(C)cc(C)cc1C	104437277	WYWJXODKBDPFHG-HNNXBMFYSA-N	247.426	4.526	0	10	BJAE	
COc1cc(C)ccc1NC1CCCCCCC1	109915328	VWNOGUIRNOGUCL-UHFFFAOYSA-N	247.382	4.528	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CNCCC)C(C)C	110185382	NXAOWHPULQYSJV-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CC(C)(C)c1ccccc1[C@H](O)C1CCCCC1	123095203	XPUXVJKUUWLIAN-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CC1CCCCC1	124544816	BEEUQUUZGOLQHJ-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](O)C1CCCC1	127388899	VHZBJEHGGLOMLA-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(-c2ccc(C(C)(C)C)s2)cc1N	132079474	NTPSWKMFGUEQFC-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)c2ccc(C(C)(C)C)cc21	136927748	WDSGSJZUXVTKPR-MLGOLLRUSA-N	245.410	4.532	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C1CCCCCCC1	159095499	LXWPPMKOUXPNFJ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1cc2ccccc2o1	159213473	KJJFJVDCVXNSNY-BLLLJJGKSA-N	246.350	4.683	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@@H](C)c1cccc(C)c1	160203504	HSNJSOITKHCJKG-KMFMINBZSA-N	247.426	4.860	0	10	BJAE	
C1=C(C2(CNC3CC3)CCCCCC2)CCCC1	161458127	XTPHANMKKAWERU-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC(C)CCC[C@H](O)c1ccc(CC(C)C)cc1	165647986	DQLDQEGHFHWVCH-KRWDZBQOSA-N	248.410	4.745	0	10	BJAE	
Cc1cccc(C)c1C/C=C/c1ccccc1	217728721	RZFKJKHAGWGLDT-KPKJPENVSA-N	222.331	4.559	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@]2(O)CCCC(C)(C)CC2)C1	226527084	TVVKUTSKCTUBIS-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)c1ccccc1C1CCC1	226800943	YDONSHREBWMZBI-OCCSQVGLSA-N	242.362	4.573	0	10	BJAE	
CC[C@H](C)/C=C(\CNC(C)C)C1CCCCC1	228123802	IRWBDWCXAAJEGY-LUYJPIOASA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H](C)CC2CC2)cc1	229676436	FPNWACFQXACFBS-OLZOCXBDSA-N	231.383	4.801	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccc(C)cc1Cl	232862075	NJGNMNUYNGGERW-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(C)c2ncccc12	233289349	QTLXNYNOKKPLHZ-CYBMUJFWSA-N	242.366	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](O)[C@@H](c1ccccc1)[C@H](C)CC	252900707	JSVBZGXYMXEQJJ-HDEZJCGLSA-N	248.410	4.613	0	10	BJAE	
CNc1cccc(-c2c(C)c(C)cc(C)c2C)c1	259319573	RHXYGWBHGRMABA-UHFFFAOYSA-N	239.362	4.629	0	10	BJAE	
C[C@H]1CC(N[C@H]2CCC23CCCCC3)C[C@H](C)C1	299952372	IIFXFWKRACRFNW-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)[C@H](CNC(C)(C)C)c1ccccc1	300463220	INHOSTANTUENFM-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
CCC1CCC([C@H](O)CCCC(C)(C)C)CC1	302246933	AVCCWSOLLQERRC-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccc(C(C)C)cc1	302273337	ARVDZNWMHVJBSG-CJNGLKHVSA-N	234.383	4.670	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](CCC(C)C)C1CC1	302518471	OMZUVZYOOIQVBP-DZKIICNBSA-N	239.447	4.616	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@H](C)CC[C@H]2C)cc1C	306061786	XFKSRZMAHLJWLH-PBFPGSCMSA-N	245.410	4.794	0	10	BJAE	
CSc1cc(Cl)c2sc(Cl)cc2c1	306602320	VVRZUIOJZDERQP-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
Fc1cc2ccc(C(F)F)c(Cl)c2s1	307133128	WROFGVUNWJZPBE-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@@H](CCC)CC(C)C	308059673	STIQHUFLUVTJEC-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1C=CC(C)(C)C=C2[C@@H](C)CC[C@@H]2C1	308729754	IGOFXNITIRXFNI-FRRDWIJNSA-N	204.357	4.581	0	10	BJAE	
Clc1ccc(O[C@@H]2C=CCCCCC2)cc1	309139687	XRHQYZJOCOGXNP-CYBMUJFWSA-N	236.742	4.608	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CCC2(C)C)CC1	310401226	UOSWFJFNQNPOAH-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C2CCCCCC2)C1	310556599	YPHKZIRLRIEXJB-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC1(C(=O)c2ccccc2C(C)C)CCCC1	310898398	BWWWWNQLPYFILK-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCc1cccc(CC)c1NCC1(C)CCCC1	311131108	AWPZZPJRRBSEIR-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CNCC1(C[C@H](C)CC(C)C)CCCCCC1	316759994	RYOYBVNADUVOOW-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CNC[C@]1(CCCC(C)(C)C)CCCC[C@@H]1C	316796330	LJZDHYNAOQFYPL-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCCC1(CNC(C)C)CCC(CC)CC1	317811214	BBNBROQOTCOWLA-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H](C)[C@H](C)CC	320094558	YYYAZIUFSUDWKX-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](CCC)C1CCC1	322452310	ILHKRIVSTPXDBG-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CCc1cc(N[C@@H](CC)C2CCC2)ccc1C	322521624	JOQHBNXCCYXPBC-INIZCTEOSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC/C=C\c1ccccc1	323821944	QTRGWBLIDUUHCG-JEMSNHSXSA-N	244.378	4.875	0	10	BJAE	
CC(C)[C@@H](N[C@H]1CCCCC12CCCC2)C1CC1	324018675	RABYSCUWYYRRSJ-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCCC23CCCC3)[C@H](C)C1	328273720	OBDLTRHOJKXGCW-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](n2ccc3cc(F)ccc32)C1	380412879	FIHHORBBWWFTIF-JYAVWHMHSA-N	245.341	4.778	0	10	BJAE	
CC(C)C1(CN[C@H]2CCCCC23CCCC3)CC1	380882131	CZZFPBOFFNACDB-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CCC[C@@H](C)C2)c1F	385303052	VZYFUJMUCWICAI-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2cccc(C(F)F)c2)C1	386199237	RGMYGCVITILBJC-ZYHUDNBSSA-N	239.309	4.615	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@H]1C[C@H]1CC	387686574	UEEVYFNERSFAJW-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNc2c(C)cccc2F)C1	394504794	FCANIVVQDUBFRD-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
CC[C@@H]1CCC[C@H](/C=C(\CNC2CC2)C(C)C)C1	394530621	XLNYTBQOISWSGX-QWNIKGHISA-N	249.442	4.537	0	10	BJAE	
COc1c(C(F)F)ccc2scc(Cl)c12	396182108	JURSXRWAECWWJF-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](CC)[C@@H]1CC1(C)C	397628055	NGHOZEKQAODPQF-GJZGRUSLSA-N	245.410	4.794	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2cccc(F)c2C)C1	398994660	JMWFHQAVUVZGAQ-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]([C@H](N)c1cccc(C2CCC2)c1)C(C)(C)C	399051390	IEJBMGVDPKYNRC-LRDDRELGSA-N	245.410	4.636	0	10	BJAE	
CC(C)=C/C=C/c1c(Cl)cccc1Cl	504523263	QIYBJGNKKUCSKJ-ZZXKWVIFSA-N	227.134	4.973	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(O)CC1CCCC1	689771284	YXMSXQGRTFYJTM-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)CC2CCCC2)c1	689780960	KBIXTLUHAKHLMF-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](C)CC1CCCCC1	689833257	ZBBHUHFYCCAOHR-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1Nc1ccccc1F	691098372	JECCRRPZTHFSEL-DZGCQCFKSA-N	249.373	4.843	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCCCC[C@@H]2C)c(C)c1	691136514	IAPMMQKTJHLSSG-XJKSGUPXSA-N	245.410	4.993	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@]23CCCC[C@H]2C3)CC1	693545472	IMHPFZUMTCHFOX-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@](C)([C@H](O)CCC(C)(C)C)C1(C)C	699074282	AJWWYWRIPBYCSL-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(C(=O)[C@]2(C)CC[C@@H](C)C2(C)C)cc1	699078194	OEZADKHPILLTPS-DYVFJYSZSA-N	244.378	4.640	0	10	BJAE	
CCCCC[C@]1(N)CCCCC[C@H]1C(C)C	704452982	DGBJBEIFJCFQPA-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
C[C@H](C[C@@](C)(N)CCC(C)(C)C)c1ccccc1	704867270	ZHXLESOFRSDYHN-PBHICJAKSA-N	247.426	4.724	0	10	BJAE	
CCCc1ccccc1[C@H](N)[C@@H](C)CC(C)(C)C	708286656	SZNDDSLYFRAEKR-XJKSGUPXSA-N	247.426	4.711	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@@H]1C[C@H](C)CC(C)(C)C1	708873183	OYIZPRCEPNVTTH-MELADBBJSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)[C@@]12CCCC[C@H]1C2	709076071	HRLILNGAQDDPJL-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)CCCCC1(C)C	709149506	VYQGIHHUUGXBME-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C[C@@H](CC)C(C)(C)C	711101627	CJGLICLDMSSIST-BFHYXJOUSA-N	227.436	4.602	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CCCC12CCCC2	712533246	GFVNGHMVRFLGQT-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
C=C/C=C/CCC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	713695953	PSHZOJWPVIEDBS-WHHBIATBSA-N	234.383	4.540	0	10	BJAE	
C=C/C=C\CC[C@H](CCC(C)(C)C)NCCC	713707401	ZFOBJFJXYYTOBM-WHLNPGIBSA-N	237.431	4.703	0	10	BJAE	
NCC1(CC[C@H]2C[C@@H]2C2CC2)CCCCCCC1	714884535	VUKIGMRQVFQCTC-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CC(C)(C)CC[C@H]1C	718594000	BFEXZPDYZTZQTL-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@](O)(CCC(C)C)C1CC1	718689725	HTYMJUHPICRWGM-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC[C@@H]2C[C@@H]2C1	720985499	LPPSYKOZZWWKFX-QBPKDAKJSA-N	249.442	4.514	0	10	BJAE	
CCc1cscc1NC[C@@H]1CCC(C)(C)C1	1902383007	ZQXCKVYOAOOVSA-LLVKDONJSA-N	237.412	4.549	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H](CC)CCC	1905432192	PNPOPXMCUDDGIO-HIFRSBDPSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@H](N)[C@H](C)CC)CC1	1909704161	ZWRTXFZMEMBUQB-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C[C@@H](CC)C(C)(C)C	1910809261	JGSLZUSMKNHFQF-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CC1(C)C[C@@H]1C[C@H]1CCCCCCCCC1=O	1913380657	MYJHMTBBHMCSBR-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
O[C@H]1CCCCCCCC[C@H]1CCCC1CC1	1913429616	CKPSRTCPOAJDEX-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCC2(CCCC2)C1	1916406422	OWJDIEONMDHSHW-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
Cc1ccc(N[C@H]2CCC3(CCCC3)C2)cc1C	1916425088	BILZAXYBYBUILM-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
CCCCC[C@@](O)(CC(C)C)c1ccccc1	1920025630	SMHAFXMTRBTUHG-MRXNPFEDSA-N	234.383	4.501	0	10	BJAE	
CC(C)c1ccc(OCC[C@H]2CC2(C)C)cc1	1921468811	HAIBFJOAKCPMEB-AWEZNQCLSA-N	232.367	4.625	0	10	BJAE	
Cc1cc(C)cc(O[C@@H](C)CCC(C)C)c1	1937173380	HLKLYBAXCZIYID-AWEZNQCLSA-N	220.356	4.507	0	10	BJAE	
CC1CCC2(CC1)CC(Nc1ccsc1)C2	1939666810	NLJOKVIYYXVPKG-UHFFFAOYSA-N	235.396	4.519	0	10	BJAE	
CCCN[C@H]([C@@H](CCC)C(C)C)C(C)(C)CC	1941274211	YFMRYWZXYUYOFF-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CCCCCC1CC1	1941597410	RCVLJHQOIFTKIN-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC(=O)[C@]12CCCC[C@H]1CCC2	1944221528	JWJNRDQETPKFTE-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C[C@H]1CC1(C)C	1944742135	RSWZSWKGBLZLEM-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CNCC[C@@H]1CCCCCC(C)C	1944889995	FIHKRGKSFZPAGF-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3CC[C@@H]32)c(C)cc1Cl	1948821261	RMZNSHHBHJFIKP-MBNYWOFBSA-N	249.785	4.557	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cccc(C(C)C)c1	1950101114	URMIMXFNMSUITN-HNNXBMFYSA-N	231.383	4.801	0	10	BJAE	
Cc1cccc(Cl)c1NC1C[C@H]2CCC[C@@H]2C1	1950296399	OMBYARXCDSDYNE-VXGBXAGGSA-N	249.785	4.639	0	10	BJAE	
CCCCCC[C@H](NCCC)C1(CC)CCC1	1951234629	IYQQXKCJAGKZBY-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC(C)C[C@@H](C)NCc1ccccc1C(C)(C)C	1964043679	WRZRKLRKHNAKLV-CQSZACIVSA-N	247.426	4.508	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCC[C@@H](C)C2)c(F)c1	1968326116	BZVAXDXMSKJJNA-TZMCWYRMSA-N	249.373	4.762	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc(-c2cccc(Cl)c2)n1	1968396977	SOYIHHPBTNGWQY-LDYMZIIASA-N	249.766	4.587	0	10	BJAE	
CN(CC1CCC1)[C@H]1CCCCC12CCCCC2	1974449517	KXCZJJDZGKWVCJ-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCCCCCC1=O	1980341303	GTUCISJMKMUBDV-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H](C)CCCC	1984636096	WFCKYOPUOIIKRH-YKHJJTLOSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](C)CCC=C(C)C	1988794934	OCQSGHWZJUJZQY-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](C)CCCNC1CCCCC1	1995260867	ZGAZNQALYIMLDJ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)C1CCC(C)CC1	1996588284	DPYJHFCAEVVMAC-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@H](C)CC	1999990067	GWTYUURLQIREPP-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](NC[C@H]1CCC=CCCC1)c1cccs1	1999995936	KIHRLMYHIXFTDA-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CCN[C@H](CC(CC)CC)C1(C(C)C)CCC1	2000374620	WYXSVHIGYOXKTP-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CCCC1CCC1)CNC	2000505381	QJDZSCFYDXNDPN-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CC12CCCC2)C(C)(C)C	2001250092	JKWFMQBOFRLASW-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@H](C)C1CCCCC1	2002934173	CCNOMHITHJOMEI-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](N)C(C)(C)C)CC1	2003067178	OIDXQYJIPDRMNK-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC1CCC2(CC1)CC2)NCC	2003217506	KHZSTMFSIFRMNG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C1CCC(CC)CC1	2004231652	AUVUKUQYNTYPQH-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@H]1CCC[C@@H]1C(C)C	2007623903	XVYBIQYMBAREEE-ZNMIVQPWSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](NCC)C1(C)CCC2(CC2)CC1	2007694922	IPDVONIQZYPXMF-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC([C@H]2CC[C@H](C)CCC2=O)CC1	2009412346	XIDPGECQOOEJOX-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@H](CC)CC(C)C	2009533381	BXHWFCWZCOIWGH-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC=CCCCNc1ccccc1C1(C)CC1	2009592440	KIRKYSMPZQDMHO-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
C/C=C/CCC[C@H](O)c1ccc(C(C)C)cc1	2009592777	NXMDHOKKDOCIPQ-APHBUQMISA-N	232.367	4.590	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	2009593624	NXYSDSQKECDWLT-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CCCCCC1CC(NCCC2CCCC2)C1	2009716030	MQRLPBZSXHRNDM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC=C([C@H](O)C[C@@H](C)CC(C)(C)C)CC1	2010627149	ZWINZOVUVFCWJE-UMVBOHGHSA-N	238.415	4.556	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)C1=CCC(C)(C)CC1	2010735202	BPQYQWVIEXOSQA-CJNGLKHVSA-N	237.431	4.523	0	10	BJAE	
C=CC=CCC[C@@](CC)(CNCCC)C(C)C	2012415687	DLJSTFPFHXLPCV-INIZCTEOSA-N	237.431	4.561	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)C[C@H](C)C(C)(C)C	2013237520	RSNLVNGNCUDMEC-ZFWWWQNUSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H](C)c1cc(C2=CCCCC2)cs1	2013612471	ZRIGHQDTIOLOOH-LBPRGKRZSA-N	249.423	4.766	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC2(CC)CCC2)CC1	2015594256	HNBMDBSCPHCOFN-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1(CC(C)C)CC1	2015753395	QYDZFGZFRPQYHC-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@]1(C)C[C@H]1C	2016410097	HBPUIDGAOWFZMI-CJNGLKHVSA-N	232.367	4.543	0	10	BJAE	
CC(C)C1(C[C@@H](N)[C@H](C)CC(C)(C)C)CCC1	2017142987	ZLISXIQVXQPPRN-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)CCC2CCC2)CC1	2017659350	UVSXRHTYHQQZMF-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@@H]2CC[C@@H](C)C(=O)C2)CC1	2017773689	DRWAECSTDMZNCO-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(CC(=O)C(C)(C)CCF)CC1	2017778068	XMFNYTKLBXYDFI-UHFFFAOYSA-N	242.378	4.548	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC[C@@H]1CCC	2018129128	ATOKVNWRNFWNCN-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
C[C@H]1CC(c2nc(C3(C)CC3)cs2)C[C@H](C)C1	2018302357	NONHYZBNRURIDY-GHMZBOCLSA-N	249.423	4.734	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)C1CCCCCC1	2018997128	XGFOTYGCCYPNSC-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)CC1(CC)CC1	2019005331	DCRJWFDTYLLXJL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@@H]1CCCC(C)C	2023615367	ZNUUGYMSCAREPU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H]1CCC[C@H](C)[C@@H]1NCCC	2024001572	SIBWDVLDAHBTGH-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@H](CC1CC(CC)C1)NCC	2025431335	DZOGOLJEYFRRDM-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)c1ccccc1	2026162285	AXIKWMOUZPPBTC-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CCCC1CC1)NC	2026166830	MQOYNVYSGVPEPJ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCCC1)[C@@H]1CC12CC2	2027313528	GPYHPWQYDYWOKI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H](O)CCCC1(C)CC1)c1ccccc1	2027830055	AJSXSQUURHPYGF-HOCLYGCPSA-N	246.394	4.512	0	10	BJAE	
CCC(C)(C)[C@@H]1Nc2cc(C(C)(C)C)ccc2O1	2027867386	QZZRSXBEABMVES-CQSZACIVSA-N	247.382	4.551	0	10	BJAE	
CN[C@H](c1ccccc1C)[C@H](CC(C)C)C(C)C	2028255122	NIEIWVCHLCVMAF-IAGOWNOFSA-N	247.426	4.574	0	10	BJAE	
CCCCCC[C@@H](N)c1cccc2c1CCCC2	2029695428	YYXBCIVFADBFRB-QGZVFWFLSA-N	245.410	4.536	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@]2(N)CC(C)(C)CC3(CC3)C2)C1	2030280572	YIWUPYDCGOEGJO-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@H]2CCCC[C@@H]21)C1CCCCC1	2034260041	CSWROQVQSZSEBF-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
C1CCCCC(NCC2C[C@H]3C[C@@H]3C2)CCCC1	2035892213	OYWCVBOGZDXUIK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](N)(C2CC3(CCC3)C2)C1	2037135484	KHNMKZYSZTWTMY-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@@H]1CCC(C)(C)C1	2037571905	MAMWXZIBEQZKIL-WBVHZDCISA-N	246.394	4.501	0	10	BJAE	
CC1([C@@](C)(N)CCC2=CCCCC2)CCCCC1	2039850439	SYAKIBUKNWMVSF-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(N)C12CCC(CC1)C2	2039871729	GVOFSORESZAQEI-ILZRDFNYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](Nc1cccc(F)c1)C1CCC(C)(C)CC1	2040639119	RGJUATVNBPGBCO-LBPRGKRZSA-N	249.373	4.843	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)C2CC2)CC=CCC1	2042090942	HAESIQUYPMUTHT-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC1(C[C@]2(CNC(C)(C)C)CC=CCC2)CCC1	2042092320	USPZAPJBAWWPOF-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CC(N[C@@H]2CCC23CCCCC3)C1	2043028837	YCDYSHKNQSMCOM-YMAMQOFZSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)C[C@H]1CCC=CCCC1	2045316086	AMZYFZXUVQIDKX-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@@H](C)c1ccccc1	2045555065	BGADOHCUYVHGIC-OAHLLOKOSA-N	244.378	4.886	0	10	BJAE	
CCCC1CCC([C@H](C)N[C@H]2C=CCCC2)CC1	2049423580	RPWNWQONKHRFDR-OTBWCIGPSA-N	249.442	4.680	0	10	BJAE	
Cc1cccc([C@@H](O)CCCC[C@@H]2CC2(C)C)c1	2050429790	KRCRGWICWVHYSJ-CVEARBPZSA-N	246.394	4.635	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@H]2CCCCC23CC3)C1	2053325373	IGCPIYINIATLPH-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCC1(C[C@@H](NC)[C@@H]2CCCCC23CC3)CCC1	2053412320	OPZKDMOXDWFQPF-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H]2C=CCC[C@@H]2C)CC1	2055562604	DSFUYDNKPDKHTI-VVLHAWIVSA-N	249.442	4.536	0	10	BJAE	
CN[C@@H](C=C1CCCC1)[C@H]1CCCC(C)(C)CC1	2056866882	APHSQLIFQMTXKI-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](C=C2CCCC2)NC)CC1	2056869750	DWGANPCHOBATSK-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCCCCN1[C@@H]1CCC2(CCCC2)C1	2057104137	XGPMUVMDGIOMPU-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)c1ccccc1C	2059251329	YUSMEMIJGAGLKJ-UKINESCASA-N	245.410	4.782	0	10	BJAE	
CC1=CCCC[C@@]1(O)C1=CC[C@@H](C(C)(C)C)CC1	2061097254	APPMWBMQZJLRNZ-PBHICJAKSA-N	248.410	4.620	0	10	BJAE	
CC[C@@]1(C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCCN1	2063477737	UHICPXFSIVUMSG-NXOAAHMSSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC1C[C@H]2CCC[C@@H]2C1)C1CCCCCC1	2063535809	MSCYDUFYIFMAEF-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC=C=CCCN[C@@H](CC)C1CCC(C)(C)CC1	2067325924	QVNAELPWZKSENP-CGGQJNRTSA-N	249.442	4.692	0	10	BJAE	
C1CCCC(CCN[C@@H]2CC[C@H]2C2CCC2)CC1	2071789390	KDYHIMWOEOOROG-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
O[C@]1(CC2=CCCC2)CCCCC12CCCCC2	2075724339	KWSTYAFALSAKME-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC[C@H]1C[C@@H]1C1CC1	2075809838	BUTLRNGZVRSZLC-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@H]1C[C@H]1C=CCCC1	2083656347	NSWAFYZWLQLZCW-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H]1CCCNC12CCCCC2	2083815643	IIULJALXILMENK-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)Cc1cccc(C)c1	2086045568	XWTNESYTWJXTJZ-WMLDXEAASA-N	248.410	4.505	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC1(C)CC2(CCC2)C1	2215461052	OMALQUDCERWYRF-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H](CCCC(C)(F)F)NCC	2216273472	XKHWLHYSLDHZCX-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)[C@H](N)CCCCCCCCC1CC1	2216875905	ABUFSJRRKLYKNT-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@](C)(CN[C@@H](C)CC)C1CC(CC)C1	2217154240	RZCGUDKFMNUJLT-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1CCC12CCC2	2218731188	JAUIJVSZGYOGMY-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@@H]1CC[C@@H]1C	2220517770	BYOIRZYIWOXVAQ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@H](CCC2CC(F)C2)c2ccccc2N1	2220653972	NXBDWVJCHDRFNG-AHPWVWPOSA-N	247.357	4.503	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCOc1ccc(C(C)(C)C)cc1	2220960514	MJSGDSNWSGSYOA-KGLIPLIRSA-N	246.394	4.799	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1	2221628819	DIRXFMKYUBKBRA-SIRPWMCASA-N	249.442	4.523	0	10	BJAE	
CCC[C@H](NC[C@@]1(C)CC=C(C)CC1)C1CCC1	2221642327	DNNCDDFBQFEDNU-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](NC2CC3(CCCCCC3)C2)CC1	2221669495	XVGNBJFFLZBOFW-HNNXBMFYSA-N	247.426	4.578	0	10	BJAE	
NC1CC2(C1)CC(CCCCCCCC1CC1)C2	2223159225	LPMMQVLFBLDZIN-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1ccc2occc2c1	2224165358	GLBWQZUHGJUBDG-HNNXBMFYSA-N	245.366	4.649	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC1(C)C)C(CC)CC	2247308631	SCYSILUIEUIRGJ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H]1CCC12CCC2	2247388854	XUMPOPSQTYCDHG-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC2=CCCCC2)CC1	2247468203	KWXLLSOUMYKTTH-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1(C)CC2(CCC2)C1	2250371259	KQUXOHWSDAESGX-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2250409532	QZGPHHQAVATURB-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1=C[C@H](N)CCC1	2250482312	SWKLIYLJVRJQMX-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC(=O)[C@@H]1C	2250484786	HSASKQDSXSVXAC-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CC[C@]1(C)C[C@@H]1NCC[C@@H](C)CCCC(C)C	2250526588	FJZBULOALVHOTJ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@]12CCCC[C@H]1CC2	2251177791	BDPHNOGXEDNTTK-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@]12CCCC[C@H]1CC2	2251178762	GQUQSZDZADLLBQ-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@]12CCC[C@H]1CC2	2251218595	UEAGEJMJYBJEOO-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)c1cccc(CC[C@H]2C=CCC2)c1	2251670728	TWLMWATVOGDBCO-AWEZNQCLSA-N	228.379	4.883	0	10	BJAE	
CC1CC(CC[C@H](O)C[C@H](C)CC(C)(C)C)C1	2251765846	VRVYOCVZAFXIPR-SHWKFHJASA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C[C@@H]1CCCCC12CC2	2253807556	CXGUNFLIPJXLDT-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
Nc1cccc(CCC[C@@H]2CCCCC23CC3)c1	2253886344	KTMAFUKGIFOQPF-HNNXBMFYSA-N	243.394	4.562	0	10	BJAE	
CCc1ccccc1OCC[C@H]1CCC[C@@H](C)C1	2253938949	PDDMKRPFDLPKNJ-HUUCEWRRSA-N	246.394	4.844	0	10	BJAE	
CC[C@H](C)c1cc(CNC(C)C)cc(C(C)C)c1	2254714713	LIZXGPVDPZKDRJ-AWEZNQCLSA-N	247.426	4.822	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@@H]1CCCC12CC2	2255325946	BRUUDMCTMFFLDP-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
Cc1cc([C@H](N)CCCCC[C@@H]2C[C@@H]2C)c(C)o1	2257240917	MEEPTHQICVQIPR-SGIREYDYSA-N	249.398	4.503	0	10	BJAE	
Cc1ccc(NC(C(C)(C)C)C(C)(C)C)nc1C	2259290578	GYFYDWIQECFZBL-UHFFFAOYSA-N	248.414	4.571	0	10	BJAE	
N[C@H](CC1=CCCCC1)C[C@@]12CCCC[C@H]1CC2	2260679449	REQBAPSFNHMFNV-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC(C)(C)c2c1[nH]c1c(F)cccc21	2261367818	BEXRIBMWNILVQN-UHFFFAOYSA-N	245.341	4.656	0	10	BJAE	
C[C@H](N[C@@H]1CC(C)(C)CCC1(C)C)c1ccoc1	2261392536	OPWUYAZFLQICQG-GXTWGEPZSA-N	249.398	4.535	0	10	BJAE	
CCC(CC)c1nc2ccc3ccccc3c2[nH]1	2263178567	XDSBDPCTHTWYQN-UHFFFAOYSA-N	238.334	4.620	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1CC)CC(C)(C)C	2298128753	QBRZUPUYMLYBOU-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CC1)[C@H](CC)CCC	2298906705	BFNAAWHIYUAMEH-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@]12CCC[C@@H]1CC2	2300476140	DJLGVOXOTWDATH-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)=CCCc1ccnc2ccccc12	2300863744	SLGYDQLXOYCZIF-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H](C)[C@H](C)C(C)C	2301959693	VUORWHDHKSQILA-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CC1([C@H](N)CCCC2=CCCCC2)CCCC1	2302345177	OQNWWFOFGDCSIT-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CCC1CCC(CC[C@]2(C)CCCCN2)CC1	2302529791	HBBQOQNKIPAQMS-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@H](O)CCC[C@@H]2C[C@H]2C)CCC1	2302613103	MSBOXHDAGAGCKO-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@H](C)CC(C)C)CC1	2303574653	BHGPJSGARVEDLE-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)C(C)C	2303580240	RXLUMFDLNUTGCE-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC)[C@H](C)CC[C@H]1CCC(C)(C)C1	2304439658	MBNDFHGSSDADLO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@H](CCC)CCC1=O	2307801543	NSDWFHMMSCULNQ-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCNc2ccccc21	2307822943	ODHKBFOZMNZYOG-KBPBESRZSA-N	231.383	4.802	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC(C)(C)C[C@H]1C	2307824949	YQNSMBVNQBRODA-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)C(C)(C)C(C)C	2307906870	JDLRKLISFXVEIY-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC1(CN[C@@H]2C[C@@H]3CC[C@H]2C3)CCCCCCC1	2309540079	LXNLFPICBMAAOH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CC[C@@]12CCC[C@@H]1C2	2310381756	KGCQASXTMIHLTA-JZAWBGDQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NC[C@@]12CCCC[C@@H]1C2)C1CCCCC1	2311126513	IHAIRSJKJVLNBQ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C[C@@H]1C[C@H]1C(C)(C)C	2311563172	GUZNBPMDHHJTOG-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@](N)(C[C@@H]2C[C@H]2C2CCCC2)CC1	2311571506	JHYDVNOHCUGVBN-QSPRXWTASA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@@]2(C)C[C@H]12)CCCC(C)C	2316500013	URGJEMFYYUDYRS-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC1(CC[C@H](N)C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316884133	KRKRHBNXIIABSL-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1[C@@H](Nc2cccc(C(C)(C)C)c2)CC1(C)C	2318181741	HAUDEYNGYILTLB-DOMZBBRYSA-N	245.410	4.831	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CCCC1=CCCCC1	2318551041	LWPJRTVSOCTEQL-IRXDYDNUSA-N	249.442	4.955	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN(C)CCCC1=CCCCC1	2318578898	CQPMNRQCGXVWAP-IAGOWNOFSA-N	249.442	4.635	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)[C@H]1CC1(C)C	2318585993	DFXPBMAWLHZPEW-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@H]1CC12CCCCC2	2318943574	HPSDPCLXIUTMFU-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C=CC2(N)CCCC2)CC(C)(C)C1	2318968457	VQIKKCVWGALDKH-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CC[C@@](O)(C[C@@H]1CCC(C)(C)C1)c1ccccc1	2319081937	SYSMTSYPHQZTJC-RHSMWYFYSA-N	246.394	4.501	0	10	BJAE	
CC1(CN[C@@H]2CCCC[C@H]3C[C@H]32)CCCCCC1	2319328990	LCGCKEFGZIYVHV-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(NCC[C@@H]2CC[C@@H]2C2CC2)CCCC1	2319726839	MNVIQIYVSVLCOH-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2CCC(C)CC2)CC1	2320416339	JMYRCYOURMWNGO-DSSZZKGTSA-N	248.410	4.908	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)c1cccc(C2CCC2)c1	2320654694	AGNAFOQBIRZYOS-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H](CC2CC2)C2CC2)C1	2320697911	YTOQWFOBOJSIIG-DAXOMENPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)[C@@H](CC1CC1)C1CC1	2320817675	XWMBJJPPLPJFKE-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2C=CCCCCC2)c1	2321078494	GSBBXBYQSJBPNL-HNNXBMFYSA-N	247.357	4.689	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CCC[C@H](C)C2)C=CCC1	2326709456	QBAOBKOCBAZDQO-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(c2ccccc2)CC1	2328098692	ZAPBKCVWRZDEBN-CQSZACIVSA-N	244.378	4.504	0	10	BJAE	
CCCCN(C/C=C/c1ccccc1)CCCC	35855692	TTWJFBWTJAOFAJ-JLHYYAGUSA-N	245.410	4.602	0	10	BJAE	
CC[C@H](C)N[C@H](C)c1sc2ccccc2c1C	37186590	KHXPZQSMIZJVCF-CMPLNLGQSA-N	247.407	4.659	0	10	BJAE	
CCc1cccc(N[C@H]2CCCC[C@H]2CC)c1	70977673	LUJDTJKDJHXTSX-ZBFHGGJFSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@]2(O)CCCC(C)(C)C2)C1	79982479	SOHPHGPUYZBSFX-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCc1cccc(C)c1NC1C[C@@H](C)C[C@@H](C)C1	84468600	UOOUNOXDURZRJY-OCZCAGDBSA-N	245.410	4.794	0	10	BJAE	
CC[C@@H](N)C1CCCCCCCCCCC1	86161968	GHDGHTVCQRANOZ-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
Cc1cc(C)cc(OC2C[C@@H](C)C[C@H](C)C2)c1	87439727	ZPDSRDNNUSTOGY-KBPBESRZSA-N	232.367	4.507	0	10	BJAE	
CCc1ccc([C@H](CC)Nc2ccsc2)cc1	90866308	JXLCHWQWPCEULP-HNNXBMFYSA-N	245.391	4.874	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](C2CCCCC2)C1	93123331	WTESENCRVXVJBU-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)[C@H](N)c1ccc(Cl)c2ccccc12	93656276	LULDXTDTKDKSNI-BONVTDFDSA-N	247.769	4.539	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCCC1(C)C	94279849	ILSQEMKGCJDHEG-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](c1cc(C)oc1C)C1(C)CCCC1	94900948	JLKHYZNDUMJSSB-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1[C@@H](C)CCCCN	96891521	XYDSDMMAHRNJOY-ZDUSSCGKSA-N	247.426	4.525	0	10	BJAE	
Clc1cccc(CSC2CCCCC2)c1	100960454	AUNRLSSLOCKADS-UHFFFAOYSA-N	240.799	4.906	0	10	BJAE	
CCc1ccc(CC)c([C@@H](CC)CCC(C)=O)c1	107473010	FUGVXZGIXLENJU-HNNXBMFYSA-N	246.394	4.674	0	10	BJAE	
CCC1CCC(Nc2c(C)cc(C)cc2C)CC1	109899282	FNFCXXUQNQSODA-UHFFFAOYSA-N	245.410	4.993	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1C1CCCCC1	110258001	AETGGIXKTIRWTI-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc(Cl)c(Cl)c1	133070951	SBOOYFJYRBGSNN-MRVPVSSYSA-N	245.149	4.612	0	10	BJAE	
Cc1ccc(C=O)c(-c2ccc(C(C)C)cc2)c1	164183723	FLMOQCMCVRXMAA-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1ccc(CC)o1	164251056	BLOSGFORLFPRIE-GFCCVEGCSA-N	236.355	4.631	0	10	BJAE	
C[C@@H](C[C@H](O)C1CCCCCC1)c1ccccc1	167634173	UWOFWHDXHYXWTP-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
C[C@@H](CC(=O)C1CCCCC1)C1CCCCC1	205337969	SWZOBOSZTNZUGW-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](NC)[C@@H]1CCC[C@H](C(C)(C)C)CC1	212589138	MCNXAKQWSAYFOA-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)c1ccc(C)cc1C	225399797	ZTFDOTVXWSXUPI-OIISXLGYSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC2CCCCC2)C1	227389533	PRIXHVQALQAIQT-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@@H](C)CC2CCC2)c1	229686043	XIZXSWKZTGYZJY-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
CC1(C)CCCC[C@H]1c1c[nH]c2c(F)cccc12	232786352	QGZDGGQAIOXJKA-ZDUSSCGKSA-N	245.341	4.991	0	10	BJAE	
CCC1CCC([C@@H](NC)C2=CCCCCC2)CC1	232905949	QYEPICMUIQZKRI-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](C)Nc2ccccc21	232970641	VCUCPYPIBAGLOS-KGLIPLIRSA-N	231.383	4.945	0	10	BJAE	
CCC[C@@H](C)n1ccc2cccc(Cl)c21	233286580	LGMAUXJVTZMXEI-SNVBAGLBSA-N	221.731	4.656	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)c1c(C)cccc1C	233541840	HEGYHISXFLQHKV-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1c1cccc2c1CCCN2	234058959	GVHOPDDGMSBQPO-KBPBESRZSA-N	243.394	4.729	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](CC2=CCCCC2)NC)C1	253182086	UWFXSNQVOLJVIQ-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
C1CCC(CCC2CCCC2)(CNC2CC2)CC1	302243585	GSVYIZZDRWDIIE-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCc1cc(NC2C[C@H](C)C[C@@H](C)C2)ccc1C	302275594	IAVCXFKRKOSBTD-CHWSQXEVSA-N	245.410	4.794	0	10	BJAE	
CC(C)(C(=O)CCC1CCCC1)c1ccccc1	302289350	WTHQBRFZPSDBHF-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC(C)CCCCCCNC[C@@H](C)C(C)(C)C	302461131	PUWCYHWKFHLMJD-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1ccc(C2CC2)cc1	305902675	BOCAGXJIEQBTPM-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(N)CCCC(C)(C)C)c1	305943112	RUJZGDNJAXXVRZ-KRWDZBQOSA-N	247.426	4.694	0	10	BJAE	
CCCNC[C@H](CCC1CCCC1)C(C)(C)C	306018013	XVQCKTDXLQPWOG-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCc1cc2c(CC)csc2cc1Cl	307271609	NRHWOEAJIIABMM-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
Fc1sc2cc(Cl)ccc2c1C(F)F	307429151	USVBELKSNFVIHX-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@H](CC(C)C)c1nc2c([nH]1)CC[C@H](C)[C@@H]2C	308089803	OVUPLBGJLZLYRO-RWMBFGLXSA-N	248.414	4.635	0	10	BJAE	
Cc1ccc(Sc2ccccc2N=O)cc1	309345322	JTIVGYQFJOHECJ-UHFFFAOYSA-N	229.304	4.544	0	10	BJAE	
CCc1ccccc1N[C@H]1C=CCCCCC1	310063957	OBSOVCQARWEBIL-HNNXBMFYSA-N	229.367	4.550	0	10	BJAE	
CCCN[C@@H](CCCCF)C(C)(C)C(C)(C)C	310235041	HQAWOCLZQDXMOO-ZDUSSCGKSA-N	245.426	4.567	0	10	BJAE	
CCc1ccccc1[C@H](NC)C(C)(C)C(C)(C)C	311101702	UCVMCEBPYNSSDR-HNNXBMFYSA-N	247.426	4.582	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC23CCCCC3)cc1	313098819	GCDHEINWQCYMRZ-MRXNPFEDSA-N	243.394	4.910	0	10	BJAE	
CCCC[C@]1(CNC2CC2)CCC[C@H](CC)C1	317545731	ADVZKKCYHJQFAH-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC(C)NC[C@@H](C)CCC/C=C\c1ccccc1	324172973	RFLRSFVQWKHAJS-UBAGTECSSA-N	245.410	4.504	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CCCC12CCCC2	328186517	OTHGDGBJOXGPJY-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)CC1(C)CCCC1	380009673	KPARYGPDXHNRBH-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)CC2(C)CCCC2)CC1	383342923	SGULBSJCMZDFAW-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C(=O)CC2(C)CCCC2)CC1	383812076	VNMKYAQVUVHOMB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1ccc2sccc2c1	386610363	HWSKYMGONASUIW-FZMZJTMJSA-N	248.391	4.761	0	10	BJAE	
Cc1cscc1N[C@@H]1CCCCC12CCCC2	387199655	NYQFQTOOBUQXHS-CQSZACIVSA-N	249.423	4.971	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@H]1C[C@H]1CC	387797095	GRJXKWFAHXXKEG-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCC1(C)CCCCC1	394594267	MODYAJLWNQWTAZ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1ccccc1CCC	394988106	CXHRVLOECMQKAQ-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CCC[C@](O)([C@H]1CCC[C@H](CC)C1)C(C)(C)C	395424745	NKWPADSAUYHDHG-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
Cc1cc2cc(C(F)(F)F)sc2cc1S	396311413	VUZQIRFNDBJKAC-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C[C@@H](C)C1CCC1	398693212	HISNDNGIPKMQIA-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(=O)C[C@@H](C)C1CCC1)c1ccccc1	398736890	KVYSFZGHXYKFTP-CJNGLKHVSA-N	244.378	4.576	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CC=CCC2)cc1Cl	402125934	GAMXYPKKPCKJAF-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H]1C[C@H]2C=C[C@H]1CC2	402223272	UBYYMWAAPUHTAI-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H]1CC=CCC1)[C@@H]1CCCCC1(C)C	402372207	SVEJKXQDPSNUJQ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@H](C)C(C)(C)C	405752509	SGCQFNRPNXCFQU-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@H](C)Nc1nsc2ccccc12	687793514	VQSAQANPZXCRBU-MNOVXSKESA-N	248.395	4.533	0	10	BJAE	
CCC1(CN[C@H]2CCCCC[C@H]2C)CCCC1	691088186	JWMQUOVEPRYCKB-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)C1CCCCCC1	691190834	XAMLFFOSKFZTDQ-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
C/C(=C/CCNC(C)C)C[C@@H]1CC2CCC1CC2	691694626	ASOCTJWXMOPOKJ-RDKSATBMSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@]12CCC[C@H]1C2	693146462	STVJXCOAIVBKBI-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H]1CCC12CCCCC2	693805007	MKHYXVXELSMIKT-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCCC3(CC3)C2)CC1	695719054	YIWZGUJBZAVEON-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2CCCC3(CC3)C2)CC1	695917678	ONTQQBOHFSUCNN-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@H]1CCCC2(CC2)C1	695939524	ZCJMVZZDYPXWCQ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1NC1CCC2(CC1)CC2	695965309	VGGBVDCULXZNPF-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CC1CCC(C[C@H](N)[C@@H]2CCCC3(CC3)C2)CC1	695982708	GOBKATDKNBWDAK-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@@H](C(C)C)CC[C@H]1O	696782705	PQDANMZCAMVGAF-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCC(C)(C)C1	696801398	GIIOZZMBROJPDD-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
C[C@@](N)(C1CCCCCC1)[C@H]1CC2CCC1CC2	704504887	CEFFIMCRIHMQOA-YQEWQEHLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CC1CCCCC1	704824974	JOZXGIWPBYOQJU-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC[C@@](N)(c1ccc(C(C)(C)C)cc1)C(C)(C)C	704870917	UUTYLVYJIMDPLW-QGZVFWFLSA-N	247.426	4.594	0	10	BJAE	
CCCC[C@](C)(N)C[C@H](C)C1CCCCC1	704954076	CJCTYEAIVSONLF-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C1CCC1)C1CC1	705322877	IJQAHYPDYUMVPE-KRWDZBQOSA-N	243.394	4.801	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@H]1CCCC12CC2	706219531	ZYOXALMKTVWJNM-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)N[C@@H]1C[C@H](C)CC(C)(C)C1	708312388	VSAYLUMHJHIRTQ-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
C[C@@H](C/C=C\CCNC(C)(C)C)CC(C)(C)C	709077279	ABJPCWWVPPZODU-CKXPSTMWSA-N	239.447	4.783	0	10	BJAE	
CC[C@@](O)(C[C@H](C)CC(C)(C)C)C1CCCC1	709129869	IJSSGVCGFCOCHC-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
C[C@H](C[C@@H](O)C1(C)CCCCCC1)C(C)(C)C	710725145	WJMGHTNZZZDXHP-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C[C@H](CC)C(C)(C)C	711073765	RKAXPUYOSFBEPA-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H](C)CC(F)F)C(C)(C)C	711118124	IDEFYUMNNCCNMG-GHMZBOCLSA-N	248.357	4.699	0	10	BJAE	
CCC[C@H](CNCC(C)C)C[C@@H](C)C(C)(C)C	711172425	JZIDXFWLZCAPAE-CABCVRRESA-N	241.463	4.721	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(N)CCCCCC1(C)C	713163859	DMPIXGIEVIBIBP-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](CC(C)(C)C)C1	713251706	ZPLFHYHIHYSYEQ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CCCC(C)(C)CC(F)(F)F	713675279	QEMTVFQVIHERQI-WAYWQWQTSA-N	220.278	4.878	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@@H]1CC[C@@H](CC)C1	713743546	GPMYPHIXXRTZAZ-WUOOCDQJSA-N	249.442	4.703	0	10	BJAE	
C/C=C/[C@@H](C)Cc1c(C)c(C)cc(C)c1C	714522054	QUSMGBZCNMZZAG-WSKFYRRCSA-N	216.368	4.675	0	10	BJAE	
CC(C)(C)c1ccc(NCCCCC2CC2)cc1	720108938	PALLFTQZRDLCOJ-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CCC1CCC(C(=O)CC2CC(C)(C)C2)CC1	723531699	CVHUUBDRZXNPKA-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC3(CC3)C2)cc1Cl	723602539	IMNLPWZTDJABCV-CYBMUJFWSA-N	249.785	4.783	0	10	BJAE	
CC[C@H](C)CS[C@H](C)c1ccccc1C	1656373633	ATRGXFPMMGFQSW-WCQYABFASA-N	222.397	4.835	0	10	BJAE	
CC[C@H](C)c1ccccc1N[C@@H](C)C(C)C	1857847837	BVGBOMIGHYWVIY-STQMWFEESA-N	219.372	4.657	0	10	BJAE	
CCC(CC)c1cc(C)c(Cl)c(C)c1	1889480737	GIBVPVRQDBWWDD-UHFFFAOYSA-N	210.748	4.860	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1scc(C)c1C	1900692801	HUHFWFNTKLDNDI-CYBMUJFWSA-N	239.428	4.581	0	10	BJAE	
COc1ccc(CCCC2=CCCCC2)s1	1901956512	OREJEURYNBMIDN-UHFFFAOYSA-N	236.380	4.580	0	10	BJAE	
CC(C)(C)CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906538555	OFCTYYJAWHPMKR-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)C2(C)CCC2)CC1	1909710378	FAPWTIMJPPOFHR-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](O)CCC=Cc1ccccc1	1912014521	XSAIAFTZOSMOCK-KRWDZBQOSA-N	246.394	4.667	0	10	BJAE	
CC(C)CCC[C@H]1CCCCCCCC[C@@H]1O	1913404995	QTUXPMUPQZMNJR-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CC(C)C[C@@H](C)[C@]1(O)CCC2(CCCCC2)C1	1915851853	KBXJOEBUEWPOCP-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CNC[C@]1(C[C@@H](C)C2CCCCC2)C=CCCC1	1916613340	USLNKRSPUAEGOZ-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCCCCn1ccnc1C1CCCCC1	1923599463	MOEWHUOJESFHGF-UHFFFAOYSA-N	234.387	4.511	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)CCC1=CCCCC1	1924086208	KWERKLPZNVBSKO-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CCC(C)(C)CC	1936197145	HDUNLUZHWQLRER-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
CC[C@@](N)(CCCCCC(C)C)CC1CC1	1939405365	IEBNODFUQHNCQQ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC2(C)CCCCC2)C1	1940407501	JFTLCUZGGNXAMD-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1CCC1)CC1(C)CCCCC1	1940409527	PDLPXBAZNGFXGX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@](O)(CCCCCC2CC2)C1	1941579559	PKDVZHQJADRFNY-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2CCC[C@@H]2C)CC1	1944845726	JUWKCPWZBWPGNR-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@@H]1CCC[C@@H]1C	1944849521	NBWPBIQCKUHDLR-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(O)(C[C@@H]2CCC[C@@H]2C)CC1	1944869357	SUXSUAKMEXRUOS-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
O=C1CCCCC[C@@H]1c1cccc2sccc12	1945958915	LCKYKUYJISKHMH-GFCCVEGCSA-N	244.359	4.518	0	10	BJAE	
CC[C@H]1C[C@@H]1CNC1CCCCCCCCC1	1947879251	OPVLXFAJVKXWOX-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCN[C@@H](C)[C@@H](C)CC(C)C	1948333900	VVOFSGIWJPTZHD-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CC(CC)CC)C1CC(C)(CC)C1	1948406834	GBJMSSOKIKKLQY-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CCC(C)=C(C)C	1949043924	RVPORRNDARJHDV-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(CC)C1(N)CCC2(CCCC2)CC1	1949087821	HXEHNYPUOBBIDD-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CC[C@H](CCC2CCCCC2)C[C@@H]1N	1949659104	CUQVUVRNFAICQO-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC1CC1)NCCC1(C)CCCCC1	1950099988	JRTAGJRTMDEJAR-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H]1CCC[C@H](C)CC1	1950923321	FUCRTPIDPUJCCG-IMJJTQAJSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@H]1C(C)=CCC[C@H]1C	1950968566	LRWCGGLYBMYEGY-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cc(C)c(Cl)s1	1960267041	TWOZFZUNDUVBLX-QMMMGPOBSA-N	244.787	4.719	0	10	BJAE	
CC(C)CC(C)(C)NCc1cccc(C(C)C)c1	1962901408	WNILJHIMPZXJIT-UHFFFAOYSA-N	247.426	4.724	0	10	BJAE	
CC1(C)CCC[C@H](NC2CC[C@H]3C[C@@H]3CC2)CC1	1966012229	PXCWOYYYIDCMFU-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCN(C[C@@H](C)CC(C)(C)C)[C@@H](C)C1CCC1	1966565519	LETYILGOIGSLLD-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCC1CCC(COc2cc(C)ccc2C)CC1	1968307282	HIIZDDRKOFFHMW-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
CC[C@H](NCCC1CCCCC1)c1occc1C	1968849353	QMMFEZHRWILWPJ-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2CC=CCC2)n1	1976655501	UAYRMNHDLRUEJA-LLVKDONJSA-N	235.396	4.654	0	10	BJAE	
CCCCC(=O)CC[C@@H]1CCC=CCCC1	1978275121	VJOJTCOCVKYREU-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
CCCCCCC1(N)CCCCCCCC1	1980335873	DTUACFDCQHHBRQ-UHFFFAOYSA-N	225.420	4.789	0	10	BJAE	
CC[C@@H](C)[C@@H](C)CC(=O)c1ccc(Cl)cc1	1980685456	RPIFJQOKFRKHFV-MNOVXSKESA-N	238.758	4.595	0	10	BJAE	
CC(C)=CCC(=O)[C@H]1CCCC(C)(C)CC1	1980979750	DRCCNXSHNFKIFN-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cc(C(F)F)cs1	1983698543	DFURTAVXJISOQK-JGVFFNPUSA-N	246.322	4.551	0	10	BJAE	
CCC1CCC(CC(=O)C[C@@H](C)CC)CC1	1989836521	GWRWYYBXHVIFLU-HSBZDZAISA-N	224.388	4.598	0	10	BJAE	
Cc1cc(C(=O)[C@@H](C)CC(C)(C)C)sc1C	1989977878	YJHLACWXDBGPFU-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
Cc1cccc(CC2CC(=C3CC3)C2)c1Cl	1994192119	FWNILRIVKXUHOB-UHFFFAOYSA-N	232.754	4.691	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(Cl)c(F)cc1C	1995048846	USOGEXUDHTWFAD-SNVBAGLBSA-N	243.753	4.778	0	10	BJAE	
CC(C)=CCCN(C)[C@H](C)C1(C)CCCCC1	1995969436	CYMYBWTWFITCHE-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@@H]1CC=CCC1	1997545886	HCZWYTDTQBUDQY-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CCCC(C)(C)C	2000189013	PGBDOCXGLWQGJU-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](CC)c1cccc(C=C(C)C)c1	2001498019	JTHMHUPCQGGUTE-INIZCTEOSA-N	231.383	4.561	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@@H]2CCCCCC[C@H]21	2001502744	YWISGLKWWMJAMO-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@@]1(C)CC=CCC1	2001693468	HUWGJRFTOUUCNP-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](N[C@H](C)[C@H]1CCCC(C)(C)C1)C(C)C	2003003183	BOXONBFVCRTUGW-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CCC/C=C/CN[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003016636	HHOFOYADWVKMQR-MHKRFPNSSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC1CC(CC)C1	2007763678	NEVJULIJVHPADH-FJBKBRRZSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)[C@H](C=C1CCCCC1)NCC	2007939198	FPANQZXVNRKUNU-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(O)CC(CC)(CC)C1	2009300147	VEQYTBHRVBTEDL-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@]1(C[C@@H]2CCCC[C@H]2C)CCCN1	2009769276	FYHHLSVTBKMQFZ-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C)c(CC2CC(=C3CCC3)C2)c1	2011088604	XFPBQVKPZMKOGF-UHFFFAOYSA-N	226.363	4.736	0	10	BJAE	
CC[C@H](CCC(C)C)NCCC1CC(C)(C)C1	2013271981	XNVSRQIGXVZPRI-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCCC(C)(C)Nc1cccc(C(C)C)n1	2013532933	KMTFBHWZYWLOKK-UHFFFAOYSA-N	234.387	4.586	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C[C@H](C)C(C)C	2015400265	PXAMCSYBNLEHSZ-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1CC12CCC2)NCCC	2015532048	XGKLLLLLKZIEAZ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1CC12CCC2)NCC	2015539068	WPBYNQAWUNJYDT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC1(CN2CCCCC[C@H]2CC)CCC1	2015585120	YNSUFWGWOMRTKV-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CC[C@H](CC(=O)C[C@]12CCC[C@@H]1C2)C(C)(C)C	2016447935	RVCLTXIJEKITHC-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)C1(C)CCC(C)CC1	2017478133	OHSQLKVAIUZIJR-OGVSOVDVSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1	2017485176	QQOZCUXVGAVOMF-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@H]1CC[C@H](CCC)CC1	2017663705	XHESOHDXNZMYIR-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(C[C@H](C)C[C@H](C)NC)CC1	2017732486	BHSHMYPTQTUSRX-QVOMUQBLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@@H]1CC[C@H](C)[C@@H](C)C1	2019127113	RHBJFUZGWOYMHY-YHUYYLMFSA-N	239.447	4.712	0	10	BJAE	
CC(C)C[C@@H](C)N(C)C[C@H]1CCCC(C)(C)C1	2019296894	DBURUIIPEKXJDO-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC=C(CC)[C@]1(O)CCCCC12CCCCC2	2020975301	ZILLYGXVCUYXDU-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](C)(CC=C1CCC1)CNCC(C)C	2023260360	IEELGABWKDPRRN-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(C)C(C(=O)CCCCC(C)(F)F)C(C)C	2023331564	LXVHKATWFRGMPT-UHFFFAOYSA-N	248.357	4.699	0	10	BJAE	
CC(C)C(O)(C[C@@H]1CCCC(C)(C)C1)C(C)C	2024128929	QPIBQYNGZAEXEF-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC(C)(C)CC[C@H]1O	2024150561	XOKAYZOPORCORL-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CSc1ccccc1N[C@H]1CC[C@H](C(C)C)C1	2025573876	AMGVNFSGHRPAGE-STQMWFEESA-N	249.423	4.645	0	10	BJAE	
CCCc1ccccc1[C@H](N)CC1(C)CCCC1	2027900951	FPMZOJMBSWHWQO-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
N[C@@H](CCCC1CCC=CCC1)c1ccccc1	2028869028	CHLPBIPXOSBDHB-KRWDZBQOSA-N	243.394	4.603	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1ccccc1CC(C)C	2028916509	ZKIJTVKSYDLLLH-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CC[C@@H](C)[C@@](C)(N)c1ccc(C2CCCC2)cc1	2031749272	GYQUKYQXROTNJN-CXAGYDPISA-N	245.410	4.564	0	10	BJAE	
C1CCC(CNC[C@]23CCCC[C@H]2CCC3)CC1	2031808561	LSLQCTOFIJEMGF-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc(C2CC2)cc1	2035422986	LYNZHWIALOGYRW-RDJZCZTQSA-N	243.394	4.945	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1C[C@H]2CCCC[C@]2(C)C1	2036659563	CSVDMSBIOPFSMF-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C[C@]2(N)C[C@H]3CCCC[C@@]3(C)C2)C1	2036661833	SEYMWKVHVUILCZ-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@](C)(N)c1ccccc1C1CCC1	2037091707	IYHCHTLCELOJRU-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)c1ccccc1C1CC1	2037126442	COLQDVCDTRNVAL-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCC2(CCCC2)C1)C1CC1	2037696738	BIZFEZXGCMZEAU-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CCN[C@@H]2CCC3(CCCCC3)C2)C1	2038091306	BHDHOYUZIKORKV-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCCC3(CCC3)C2)C1	2041289128	GAFQZWLIUMNGCY-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)(CNC[C@@]1(C)CC=CCC1)C1CCCC1	2042073237	XWNKFRDXNWCBGJ-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CCC=CCCC2)C1	2045321400	VKJWMSNFCCSIQJ-IXDOHACOSA-N	249.442	4.811	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)[C@@H]1CCCC(C)(C)C1	2045364968	HKUQNGQWJUOWDF-GDBMZVCRSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)[C@@]23CCCC[C@@H]2C3)C1	2045381902	OYJISVNWKOMDOP-HDEZJCGLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C[C@@H]1CC=CCC1	2045818459	NINFBNBAZCCKJB-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C2(N)CC3(CCCCCC3)C2)CC1	2046233417	NPFGKZIZNASRRI-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCc1ccc(N(C)[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1	2046567653	GCFBPZKZSJUAPF-HALDLXJZSA-N	245.410	4.510	0	10	BJAE	
C[C@H]1C[C@@H](CC2(CF)CCC2)Nc2ccccc21	2046907859	GSXPUJLEVBTHAP-STQMWFEESA-N	247.357	4.504	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@@H]1CC12CCCC2	2047010795	VEZFEMXHBAOCCU-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@H]1CC12CCCCC2	2047060865	AUOCGUAQMNRYDF-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
O[C@@H](CC1=CCCCC1)C[C@H]1CC12CCCCC2	2047069296	UWURVMUFGAUUAX-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
NC1(C[C@H]2C=CCCCC2)CCCCCCCC1	2049668525	APUYGRBRRAJTFT-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCC[C@@H]1O)c1ccccc1	2049680995	JRXVBJFURFQLKO-PVAVHDDUSA-N	246.394	4.512	0	10	BJAE	
NCC[C@@H]1CCC[C@H](C[C@@H]2CCCC3(CC3)C2)C1	2049854842	KUGHJSHWXBWULG-JYJNAYRXSA-N	249.442	4.502	0	10	BJAE	
CCCC1CC([C@@H](N)C[C@H]2CCCC3(CC3)C2)C1	2049862891	XCLXXJGSBHUBJJ-KNIAUWFNSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCCN1C[C@H]1CCCC2(CC2)C1	2049936167	QJFMSDJCVCMBJL-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2CCC=CCCC2)C=CCCC1	2049992962	RXSHZKSQDZGNFV-WBVHZDCISA-N	246.394	4.829	0	10	BJAE	
CCN[C@H](CCC1=CCCC1)c1ccc(C)cc1	2050428367	FDKVVPQOGAOGRV-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
C(CCNC[C@@H]1CCCCC12CC2)CCC1CC1	2053435894	HXEVAQCPLPCTDP-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC1=C[C@H](NC2CCC(C(C)(C)C)CC2)CCC1	2055548370	AERXAEZTQKAHCT-UYSNPLJNSA-N	249.442	4.680	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCCC23CCCCC3)CCC1	2055549293	JLPQVOWGDVRVFZ-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
C[C@H]1C[C@H](C(=O)C2(C3CC3)CCCC2)CC[C@H]1C	2057594050	DLXZAUOYSCPGQC-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCCN(C)C1CCC(C2CCC2)CC1	2059203058	GJCPPVPNULFXCO-ONEGZZNKSA-N	249.442	4.633	0	10	BJAE	
CC=CCCCNc1ccc2c(c1)CCCCC2	2059224539	BRRXASYWODXFJQ-UHFFFAOYSA-N	243.394	4.724	0	10	BJAE	
CC=CCCC[C@H](NCC)c1cc(C)cc(C)c1	2059260418	XZWRSJFRPPHOHU-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C(C)C)CC1)C1(C)CCC1	2061083680	DWSSYVXGFMZWHL-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)[C@@H]1CC[C@H](C)C1	2061087828	ILSOXGOVUJGPCY-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](O)CC2=CCCCC2)CC1	2061092829	SPUKVAXBBCAFFK-RDJZCZTQSA-N	248.410	4.620	0	10	BJAE	
CCC1([C@H](NC)C2=CC[C@@H](C(C)(C)C)CC2)CC1	2061095434	MYCTVQBPWIPXAW-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C(CC(=O)c2ccco2)CC1	2061196447	RCQOTFYQHMUNBE-CYBMUJFWSA-N	246.350	4.625	0	10	BJAE	
CC[C@H](C[C@H](N)CC1CC(=C2CC2)C1)C(C)(C)C	2061728136	GUQOIRRKZOGBIF-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C1CC(=C2CCC2)C1)[C@H](C)[C@H](C)CC	2061741089	HDGCDWVGRKKCKD-XNJGSVPQSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(N[C@@H]2CCCCCC23CC3)CC1	2062020118	YEPKJPJGHVQERG-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CCC1(CC)CC(N)(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063489683	GIIWNGVCYJARSJ-QDMKHBRRSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2063496440	JRQCHXDKFPTVLP-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C1CCCCCC1)C1(CC2CCC2)CC1	2069564731	XARDMZIHXLEYLV-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC2CCC=CCC2)CC1	2072802541	YNTHWJUKAAWJKN-WKILWMFISA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@@H](C)c2ccccc2)C1	2074892628	OPMOVYIBZUAKLH-ZMSDIMECSA-N	245.410	4.648	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1Cc2ccccc2[C@H]1C	2074895886	LNPTUJYAYQLXIW-CKEIUWERSA-N	243.394	4.532	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H]2C=CCCCC2)CC1	2075370066	KLOPRYZXOZZHJG-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCNCC[C@H]2C)CC1	2076323756	WZNBXHURHPJQGP-BZUAXINKSA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC(C[C@@H]2C(=O)[C@H]3CC[C@H]2C3)CC1	2076515993	BOWLXTCBHDCUJA-XJCPWDRGSA-N	248.410	4.598	0	10	BJAE	
C1=C[C@H](CNc2ccccc2C2CCC2)CCC1	2077262364	SAPIMLKHQDAKEN-AWEZNQCLSA-N	241.378	4.722	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@H]1C[C@H]1C1CCCC1	2079428895	SJTFPZCBFDPPFX-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@H]1C[C@@H]1C1CCCC1	2079869999	IWCNYNLYOIWEMP-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@]1(CC=C2CCC2)CCCC(C)(C)C1	2081676663	YOTOPDLPAUXZIL-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCC(CC)(CC)C(=O)Cc1cccc(C)c1C	2082951174	RQGVIIDBRGBIOL-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1C[C@H]1C[C@H]1C1CCCCC1	2083799113	IZLYNSYZXZXLJA-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N(C)[C@H]2C=CCCCCC2)C1	2085291119	NSARPPKXMKEMDV-IXDOHACOSA-N	249.442	4.632	0	10	BJAE	
Cc1cc(Cl)cc(O[C@@H](C)CCC(C)C)c1	2212533454	TWPNJNCZUGABHR-LBPRGKRZSA-N	240.774	4.852	0	10	BJAE	
NC[C@H]1CCCC[C@H]1CCCCCCC1CC1	2213574170	QFGLEGUQUVIYRP-HZPDHXFCSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H](CC)c1cccc([C@H](C)CC)c1	2214058619	ZXPDALCMCWHAQG-CJNGLKHVSA-N	233.399	4.651	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](N)C1CCCCC1	2214779032	YUQBWNZSUBPVBA-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1C[C@@]1(C)[C@@H](O)CCCCCCCC1CC1	2216882605	AWRVKQXBFJZDIN-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@]1(CN[C@H](C)CC)CC=CCC1	2217131589	XZKCLJCZJZAONU-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NCC1(CCC(C)C)CCCCC1	2217136433	IOLRECANIQKLCD-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@](C)(C=CCCCCCC2CC2)CN1	2218719958	DGPNGDUVIGVGJR-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C(CCCN1CCC12CCCCC2)CCC1CC1	2218730131	GXSZKVZBVJLOJH-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
C[C@H]1CC[C@H](CC2(N)CCC(C3CC3)CC2)CC1	2218886917	HWNKVCMCNPRJNW-RBAWDMFTSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CC=Cc1ccccc1	2219095837	PIOJEKQPMIJSBF-INIZCTEOSA-N	245.410	4.634	0	10	BJAE	
CC(C)[C@@](O)(CCCCC1CC1)c1ccccc1	2220038799	HJSDVCFLAQCTDH-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1ccccc1C(C)(C)C	2220925250	BZIPBYKEWZSDNR-KGLIPLIRSA-N	245.410	4.832	0	10	BJAE	
CCCc1ccccc1C(=O)CC[C@@H]1C[C@@H]1CC	2220958741	ITANICWBYZKOMV-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CC1)[C@@]1(C)CC=C(C)CC1	2221632024	PEDIFTKRBHGGRP-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@H](CN[C@H](C)[C@@H]2CCC[C@@H](C)C2)CC1	2221632683	RDMDATWLKFGAPB-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(CNC2[C@H](C)CCC[C@H]2C)CC1	2221642280	CZYWTFBLVQXKCP-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)[C@H]1CCCCC1(C)C	2221992485	FKQFBUFTTAEMIX-ZBFHGGJFSA-N	246.394	4.553	0	10	BJAE	
C[C@]1(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC[C@H](N)C1	2222948105	FWEVPBVOFWBETJ-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)c1ccc2occc2c1)C(C)(C)C	2224195891	JJYBRDFIQZEBNV-LLVKDONJSA-N	244.334	4.688	0	10	BJAE	
Cc1ccc2oc(C/C=C/c3ccccc3)cc2c1	2226211568	XAOXHTPLFMVOED-VMPITWQZSA-N	248.325	4.997	0	10	BJAE	
CCC[C@](O)(CC)CCCCC[C@@H]1C[C@H]1C	2243921320	JCKZLBKJGSYEBT-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H](CC)CCC	2244774731	INYATBIHZFVJCX-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CCCCCNCC[C@H](C)CCCC(C)C	2244846686	GAMXOJNIEBIOMO-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
C[C@@H](C(=O)c1cc2ccccc2s1)C1CCC1	2246951162	FIYIOWGSJYVZSV-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@](C)(O)CCC(C)(C)C	2247119601	KYMFTIWILWCWLA-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](CC1=CCCCC1)NC	2247528126	SNDNCGSHPCYSRW-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCCC(C)(C)NCC[C@@H]1CCCC12CC2	2247664460	GZPQZWBPXMVVEK-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H]1CCC[C@H]1C)NCC	2250361026	JFQUKHYYYJFSQM-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C[C@@H]1CCCCN1	2250478269	HENOVNMVUBKCQN-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNCCCCCF	2250494872	XYHSFZYBXHZWTB-OAHLLOKOSA-N	245.426	4.568	0	10	BJAE	
N[C@H](CCC1CCCC1)CC[C@@H]1CCCC12CC2	2255290670	IJQRDRUMSVEMGF-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)c1ccccc1NC1CCC=CCC1	2257926585	PPGTUYJQKJFUJB-UHFFFAOYSA-N	243.394	4.895	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cccc(C2(C)CC2)c1	2259476809	DEHXATLTINXNJJ-BBRMVZONSA-N	245.410	4.564	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)c1ccccc1	2259622793	AKVOECNTWHYNBS-RDJZCZTQSA-N	247.426	4.929	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@@]12CCC[C@@H]1CC2	2260507014	KRKXEWTUASUITC-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(NC[C@@]23CCC[C@@H]2CC3)cc1	2260575229	RPFPBJKGKQJZIM-WBVHZDCISA-N	243.394	4.631	0	10	BJAE	
CCCCC[C@H](N)c1cccc(C2CCCC2)c1	2260728153	YSVMWGXCPLJZDL-KRWDZBQOSA-N	245.410	4.924	0	10	BJAE	
CC(C)(C)CC1CC([C@H](N)C[C@H]2CC=CCC2)C1	2261202938	OPRAIPDTQWKBJK-SLTXQBBLSA-N	249.442	4.523	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H]1C[C@H]2CC[C@@H]1C2	2298610381	IUNYXJHBTFDXBB-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@]12CCC[C@@H]1CC2	2298696059	UTOYVRXPCUJLTK-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CNCC=C(C)CC)CC1	2300867486	MPSQZXVWJVNAMO-WKILWMFISA-N	237.431	4.539	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H]1CCC[C@@H](C)CC1	2300900262	WHVJDHOBKUUNMF-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
N[C@@H]1CCCCCC[C@@H]1CC1CCCCCC1	2301140199	MXZCSJREIVKJTH-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
Cc1cccc(C)c1NCC1CCCCCC1	2301239351	OYTOYACALNWJBN-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1C=CCCC1	2301920534	DERUNJNXTFMYLF-HNNXBMFYSA-N	232.367	4.583	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)[C@@H](O)C[C@@H](C)CC(C)(C)C	2301965507	UMKXRCRQINVBEK-TUVASFSCSA-N	242.447	4.738	0	10	BJAE	
CCN(CCCC1=CCCCC1)[C@@H](C)C(C)C	2302361540	OLIIMTQCDNGQRD-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
N[C@@H](CCCCC1CC1)C1=CCCCCCC1	2302575079	STVUVQXWMURJHT-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@@H]1CCC(C)(C)C1)CC(C)(C)C	2302663281	CJKCDGZFDIEURI-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cccc(C)c1C	2307752894	WQJATHZWUHDACS-AWEZNQCLSA-N	232.367	4.703	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CCCC12CCC2	2307822497	IIFLDZMNPUBBSS-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](CC)CC[C@H]1CN	2307826986	SSNRZEIYZKTQPQ-XUWVNRHRSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccc(C)c(C)c1	2307894812	NXXDAAIKTBQTSG-GOEBONIOSA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(C)(C)CC[C@@H]1O	2307896772	XNAVFWYOGUPMQZ-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
O=C(CC[C@H]1CC[C@@H]2C[C@@H]2C1)CC1CCCCC1	2309164600	WOYBXXPCNDXWDD-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@H]1CCC[C@@H]2C[C@H]12)NCC	2310191664	ILBICBJZIKFBRN-ONLIHJCWSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](NCC)[C@]1(C)CC=CCC1	2311564342	AQWQMYXQLGRFMC-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@]2([C@H](N)CCCCCCCC3CC3)C[C@@H]12	2312595746	QHMCQNGRVSNNAH-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@@]12CCC[C@@H]1CC2	2313314320	BJXUGXIDHIUCMO-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NC[C@@]12CCC[C@@H]1CC2	2313321206	JQJSOJZSGBFAKY-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@](CN)(C[C@@]23CCCC[C@@H]2CC3)C1	2313344758	XKEHANNVBVQZLG-HZMVEIRTSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)C[C@@]23CCC[C@@H]2CC3)C1	2313348642	JRHCYZLIXMEJNO-QEOTZNIISA-N	249.442	4.501	0	10	BJAE	
C[C@H](c1cccc(N)c1)C(CC1CC1)CC1CC1	2313687622	ZBGAZHSKNLRLMO-GFCCVEGCSA-N	243.394	4.589	0	10	BJAE	
C[C@](N)(CC1CCC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316880715	YODZZPLOXLAKCH-HJWJTTGWSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(CC2CCCCCC2)CCCC12CC2	2317008206	CMWWWBNLAFZDKE-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)CCC[C@@H](N)c1ccc(F)cc1C1CC1	2317070388	JBLICYXFYRZPIJ-MRXNPFEDSA-N	249.373	4.529	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CC1(CC)CC1	2317964741	WNWDSXKIMKHZQA-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H]1CCc2c(C(CC)CC)cccc21	2318404161	BDWYVDYVQKKGFP-KRWDZBQOSA-N	245.410	4.577	0	10	BJAE	
C1=C(CCC[C@@H]2Cc3ccccc3N2)CCCC1	2318568120	IKXXIDBDLFCEKZ-MRXNPFEDSA-N	241.378	4.694	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@@H]1CCC2(CC2)C1	2318878792	OXRGBXLWIZPHDK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(F)ccc1NC[C@H]1CCC(C)(C)C1	2319013512	OAXKJMBEPIHLJD-LBPRGKRZSA-N	249.373	4.626	0	10	BJAE	
CCC(CC)CCC(=O)c1cccnc1C(C)C	2319473293	JQOOQBHTSOSYFQ-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
CC1(C)CC=C([C@H](N)[C@H]2CC[C@H]2C(C)(C)C)CC1	2320211676	QPIYCAIQCXCDIL-ZNMIVQPWSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](CNC2(C(C)(C)C)CCC2)CC1	2320422685	ILMLVPFYIULRLI-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@](N)(CC2CC2)C2CC2)CC1	2320627741	YMTKSOUIYQBFNB-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)c1cccc(C2CCC2)c1	2320650688	VMYZGPWTSQYYLX-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
C=C=CC[C@@H](CC[C@@H]1CCC(C)(C)C1)NCCC	2321608633	QWGYJAQRVQXXTE-CVEARBPZSA-N	249.442	4.692	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@@H]2C[C@H]2C2CC2)C1	2321625689	CKXCAOVSJQOVLV-BJJXKVORSA-N	248.410	4.598	0	10	BJAE	
CCCCCCc1ccc([C@H](N)CC2CC2)cc1	2327896410	PCYGYMSAWWJQNK-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCc1cccc(N[C@H](C)C2CCCCC2)c1	37214404	VVBFNDIEKBWLHG-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CCC[C@@H](C)CC(=O)C12CC3CC(CC(C3)C1)C2	55270290	DDDTVCHQIFLQKH-JISDDCRVSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](c1ccc(C(C)(C)C)cc1)[C@H](C)C(C)C	70123081	SJLRZOOHTLEEIR-CZUORRHYSA-N	247.426	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2CCC(C)CC2)C1	71154693	MBSCDKJLPMBYDO-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(NC2CCC(C)(C)CC2)c1C	75168181	QIURMGJUMDNSRA-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
C[C@@H](c1cccc(Cl)c1Cl)C(F)(F)F	75839685	SFYZIJOXPGODJK-YFKPBYRVSA-N	243.055	4.659	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccccc2C(C)C)C1	80426282	MKHUKFXMYLZANJ-KBPBESRZSA-N	231.383	4.801	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@@H](CC)C1	80445174	DJGZROQJJZONOJ-UKRRQHHQSA-N	231.383	4.630	0	10	BJAE	
CCCCCC(CC)(CC)CNC(C)(C)C	82441848	DENWMVCEYWVJRO-UHFFFAOYSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](CC[C@H]1CCC[C@H](CC)C1)NCC	83825113	XNVGMYOTHXXXFD-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CCCC1(C)C	86855610	LSRDJDYGGRRWLJ-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C1CCCCCC1	87947625	JRJATUYVRHIVER-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC1(CN[C@H](C)c2ccco2)CCCC1	94874536	GZWRRNOENKMITL-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
CC(C)c1ccc(NC2CCC2)c(C(C)C)c1	109828106	GZIZBYVNDWYXRP-UHFFFAOYSA-N	231.383	4.898	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](c1ccccc1)C(C)C	109944226	KTRYVKXVHZBJKN-HZPDHXFCSA-N	233.399	4.552	0	10	BJAE	
CCCC[C@@H](CC)CNc1cc(C)ccc1OC	110158180	SZHWCGMTCUPTOW-CQSZACIVSA-N	249.398	4.632	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)C(C)(C)CC)cc1	110201654	VKISTXJUMARMIE-XJKSGUPXSA-N	247.426	4.897	0	10	BJAE	
CCCCCC[C@@H](NC)C(CCC)CCC	124762352	CSSFYEQVPMEOJK-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](NC[C@H](C)C1CC1)c1ccccc1	124955214	UCVNMCJMRVADOP-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
CC1(C)Cc2[nH]c3c(F)cccc3c2C(C)(C)C1	125063090	BOFGGDFTIWKZTB-UHFFFAOYSA-N	245.341	4.557	0	10	BJAE	
CCCCCC[C@H](N)c1cccc(CCC)c1	131608567	KUDITRQJELSYKK-INIZCTEOSA-N	233.399	4.609	0	10	BJAE	
CC(C)c1ccc(OCCCC(F)(F)F)cc1	149163188	LCCVQZGUXPCELL-UHFFFAOYSA-N	246.272	4.531	0	10	BJAE	
CCN[C@@H](CC(C)C)c1ccc(CC)c(CC)c1	157962368	JBJBEBLHBJJYRG-KRWDZBQOSA-N	247.426	4.508	0	10	BJAE	
CCCc1ccc([C@@H](N)CC2=CCCCC2)cc1	161227648	JAFAVTNCCXVOND-KRWDZBQOSA-N	243.394	4.529	0	10	BJAE	
CC(C)CCC[C@H](CNC(C)(C)C)C(C)(C)C	166102200	ACUBIOBRNMBXPL-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc(C(C)(C)C)cc1	167177579	FVBBRVQLSZBDFR-GFCCVEGCSA-N	232.367	4.603	0	10	BJAE	
CC(C)CCCc1c(Cl)cccc1Cl	200122966	DEOYURRQAPLVIV-UHFFFAOYSA-N	231.166	4.972	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccc2ccccc2c1	204111297	MGWFFEKUIDRBQX-MRXNPFEDSA-N	242.362	4.700	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)[C@@H]1CCC[C@@H](C)C1	225081324	YGWBHYQZLHUSJE-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](S[C@H](C)c2cccc(N)c2)C1	226536234	AIZOLRUIBLYWSX-JMSVASOKSA-N	249.423	4.642	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(O)CCCC(C)(C)C2)C1	226908586	SOHPHGPUYZBSFX-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@H]1CCC[C@@H](CC)C1	226998867	GKZDDKFCXYRDIL-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(C)c2ncccc12	233348675	QTLXNYNOKKPLHZ-ZDUSSCGKSA-N	242.366	4.534	0	10	BJAE	
CC[C@@]1(C2=CCCCCCC2)CCCCCN1	234004767	ZTSUXLFVZPONEC-INIZCTEOSA-N	235.415	4.579	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCCC[C@H]1CN	251277476	DQEVDNSJSFEZGB-XHSDSOJGSA-N	239.447	4.748	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	252904361	QCIACDIYOZDHSC-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](NCC)[C@H](c1ccccc1)[C@H](C)CC	253190099	KPGUYGKZZRZHPR-PVAVHDDUSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccc2ccccc2c1	302466953	XAMYYLRNYXFZPH-GUYCJALGSA-N	242.362	4.700	0	10	BJAE	
C[C@H](CNc1cc(Cl)ccc1F)C(C)(C)C	304299293	OUENQZWVTJYDNU-SECBINFHSA-N	243.753	4.573	0	10	BJAE	
CCCCCC[C@@]1(C)[C@@H](CNC(C)C)C1(C)C	306063645	ZUPYFPHYNJEAOA-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1ccc(Cl)s1	308110937	NXAFBFKSHHFLHF-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@@H](C)CC(C)C	309988834	FCNXKDFFKOGIOE-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@@H](O)CCCC(C)(C)C)c(C)c1	309991219	PCGKDFLKVWFKQV-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2(CC)CCC2)C1	310311532	DWSLGDPLVTUGAQ-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)c1cccc2ccccc12	310778776	WUJFYCPERVVYDV-DYVFJYSZSA-N	241.378	4.522	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C[C@H]1CCC[C@@H](C)C1	310785539	STMWMSVUDLRBRV-UHOFOFEASA-N	246.394	4.553	0	10	BJAE	
C[C@H]1CC[C@](CCC2CCCC2)(CNC2CC2)C1	318848814	CGMAVNDMIMYTRC-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1[C@H](C)[C@H](C)CC	320092403	YRNJFCPXSIFAIB-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@@]1(N)C[C@@H](C)C1CCCCC1	380174688	XNKIWCCBJYUHIG-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(C[C@@H](O)C2CCCCC2)CC1	380174726	NROZXUNYDMQAIM-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NCCC)C1(CC)CC1	380651544	QLRDESZVEWLTPO-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H](CCCC(C)C)c1csc(C)c1	381439398	XZFZKUYGKHGSQK-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CCCc1nc(-c2ccc(C(C)C)cc2)cs1	383266382	GOZNANOATSIGDH-UHFFFAOYSA-N	245.391	4.886	0	10	BJAE	
C[C@@H](C[C@@H](O)C1(C)CCCCC1)c1ccccc1	384303958	KAYBTERFIPOHLW-GOEBONIOSA-N	246.394	4.512	0	10	BJAE	
CCC[C@H](C)[C@H](O)c1ccc2ccccc2c1C	384343115	CLWLPVKZTQOXSV-SJCJKPOMSA-N	242.362	4.618	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H](C)C1)c1cccc(C)c1	385031012	GSVZIFSEBIOIGZ-PVAVHDDUSA-N	245.410	4.614	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)CCC1CCCC1	385807114	PQGREMYPRDRNHT-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
c1ccc(NCc2ccc3sccc3c2)cc1	386229714	LZAGYLPDYKHDCV-UHFFFAOYSA-N	239.343	4.513	0	10	BJAE	
Cc1cscc1N[C@@H]1CCC(C)(C)C[C@H]1C	387281447	GGHHKEZEFSIQDP-ZYHUDNBSSA-N	237.412	4.683	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)C2(C)CCCCCC2)c1	394674104	SKHRWQNSKPVPOJ-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CCC[C@@H](Nc1cc(C)ccc1C)[C@@H]1CC1(C)C	397577230	DSLNCXBTSOPZJT-LSDHHAIUSA-N	245.410	4.930	0	10	BJAE	
C[C@H](C[C@H](N)CC1CCCCCC1)C1CCC1	398735307	UNEUNGSBAGLLOC-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@H](C)C1CCC1	398737572	LAMDEPISIYRCQE-NUEKZKHPSA-N	239.447	4.602	0	10	BJAE	
C[C@H](O)c1cccc(-c2ccc3ccccc3c2)c1	404715540	QABUYLONWOMVLB-ZDUSSCGKSA-N	248.325	4.560	0	10	BJAE	
CC(C)(CCC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1	405889659	RDDSRTAZQVBQMB-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)C[C@@H](C)Nc1nsc2ccccc12	687793516	VQSAQANPZXCRBU-WDEREUQCSA-N	248.395	4.533	0	10	BJAE	
CC(C)[C@H](C)C(=O)C1CC(C)(C)CC(C)(C)C1	688310555	YUJRCXPNGHNXKA-LBPRGKRZSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CCCC1CCC1)NC(C)C	688357580	IWXBNYGLVLBTTO-HNNXBMFYSA-N	225.420	4.514	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C[C@H](C)C(C)(C)C)c1	688914241	LOYKKPJZOHWEDI-BBRMVZONSA-N	247.426	4.882	0	10	BJAE	
CCN[C@@H](CC1CCC1)c1cccc(C(C)C)c1	688941271	YEQMSMDMKXWZKN-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@@]12CCC[C@H]1C2	693142203	BVAQUQCNLZFAII-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](CC(C)(C)CC)NC)C1	696251621	ZAYJHOAJYAOVCI-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCC(=O)C1(CC(C)C)CCCC1	697831778	NANXVSJATKKRTO-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CCN[C@@H](C(C)(CC)CC)C(C)(C)C1CCC1	701255656	LPWDKVLJFXXOLR-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1(N)CCC2(CC1)CC2)C1CCCCC1	704956856	GPDQZAOUXXXXHW-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)c1cocc1C	705295426	TYUTZNMWVHYKLK-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCC[C@H](CC[C@@H](C)CC(C)(C)C)NCC	709102291	LUHJYVDILQMJQO-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CC(=O)c1sccc1F)CC(C)(C)C	709212984	PYUIEHGRMDGUOQ-VIFPVBQESA-N	242.359	4.532	0	10	BJAE	
Cc1ccc(OC[C@@H]2CC3CCC2CC3)cc1C	709458662	GWSHPNWZXFKZSO-GPANFISMSA-N	244.378	4.509	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(O)CC1CCCCC1	713033996	WPKIHXLRHWYWGF-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1cc2ccccc2s1	713137592	AIPQKJLRDZTLSQ-LBPRGKRZSA-N	247.407	4.598	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC[C@@H]1C[C@H]1C1CC1	714897645	TWSXSIXEJKLDLM-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCC(=O)c1ccc(-c2c(C)cccc2C)cc1	717717713	YATZZZFRGQLYMX-UHFFFAOYSA-N	238.330	4.563	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)c1cc(C)co1	718465487	KDRLUIIFYJRYLA-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)c1cccc(C)c1	720348676	HEAOJCJHQDHTQC-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC1CCCCC1	720361093	XICULKFEPIAMID-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)CCCC2(CC2)C1	723573075	YLCYXXLPTWGRQR-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CC[C@@H]2CCCC[C@@H]2C1	723648551	VNAZDMLVHIEAQZ-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
C1=C(CNC2CCC3(CCCCC3)CC2)CCC1	1560538543	UFVKZUZBVHFRNT-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCC(CC)c1ccc2ccsc2c1	1889470137	KRGLYXWAFNJCIC-UHFFFAOYSA-N	204.338	4.805	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCC[C@H](CC)C1	1900699979	GGYHTKSKGHLPSB-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCCNC[C@](C)(CC)C[C@H](CC)CCC	1905432214	PQQDOXVASONGKD-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
C=CC=CCC[C@@H](CCCCCC)NCCC	1911827843	VVZHOADUQLVYQA-INIZCTEOSA-N	237.431	4.847	0	10	BJAE	
CC(C)CC[C@H](C)NCCC=Cc1ccccc1	1912055386	PGXPXGGMBZLRCN-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
C[C@H](C=C1CCc2cc(N)ccc21)CC(C)(C)C	1912098569	REIKMTRWKKBZLQ-GFCCVEGCSA-N	243.394	4.671	0	10	BJAE	
CC(C)(C)C[C@@H]1CCCCCCCC[C@@H]1N	1913430506	LYPHTSQODCOJJW-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC3(CCCCC3)C2)c1	1915863426	KVZYSTXOSQBVEL-MRXNPFEDSA-N	243.394	4.910	0	10	BJAE	
CCCC[C@](O)(CC)[C@@H]1CCC[C@H](CC)C1	1919523685	LOOQUZWVAVMZSF-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@](C)(O)CCC(C)(C)C1CC1	1919949032	QSDOMUZPKPFZDN-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CCC[C@H]1CC1(C)C	1919969324	IHLOHQXODSQCPZ-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccc([C@@](C)(N)CCC2CCC2)cc1	1920440727	OXLVPGRJTDRFHI-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C1CC(CC)C1	1921262926	YALFCAFVVFUPHC-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2C[C@H]3CCC[C@H](C2)C3)C1	1923479663	HZXFOLVAVBOUBW-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CC1CC(C)C1	1925142599	DREJGPGJNSTRHV-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cc(C)ccc1Cl	1925540675	WOKMSNJTELMGHN-JTQLQIEISA-N	238.758	4.657	0	10	BJAE	
CCC[C@@H](NC[C@H]1C=CCCCC1)C1CCCC1	1925813814	DOLSOUACIYRZDY-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@@H]1CCC[C@@H]1C[C@H]1C=CCCCC1	1925891169	IOVNSHDELZBHMA-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2C=CCCCC2)CC1	1925942816	NCXPYTGLJHDXKI-CGZBRXJRSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H](C(=O)c1cscc1Cl)C(C)C	1927988230	BIWMMJPASFGKLL-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
FC1(F)CCC[C@H]1CC[C@H]1C=CCCC1	1932599401	UFJYVGUGHSSNTO-RYUDHWBXSA-N	214.299	4.558	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1CCC[C@@H](C)N1	1938316249	DKEXTLYMXXMUCP-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
Cc1csc(C(=O)[C@H](CC(C)C)C(C)C)c1	1939456862	URTYBHZWNFILRW-GFCCVEGCSA-N	238.396	4.558	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)CC1(C)CCCC1	1940253647	QAFDLAZAEIYDOK-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)C1(C)CCCCC1	1940883450	ODUPHVYQKCNDJU-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@@H](CC(C)C)C(C)C	1941267559	UDRZSCBUDRZOBR-HOTGVXAUSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](C(=O)CCC(C)(C)C1CC1)C(C)C	1941268573	HODZFVJMBUTYKR-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(O)CCCC1CCC1	1941470139	LZHSCHFFBKFQDJ-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H]1[C@@H](N)CCCCCC1CC1	1941587105	PILXJONXHSLEPU-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1(C)CC(C)(C)C1	1941987645	MBXVBYHVTIHKGV-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CC(C2CCC2)C1	1942151369	CKICPAOLICWUDT-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)n1ccc2c(F)cccc21	1942658990	ICSYGDDBEUMYBL-GFCCVEGCSA-N	233.330	4.778	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@@H](C)CCC(C)C	1942661837	WYUPEUDKBGDZSD-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1CCC[C@H]1C	1944851023	ZLARNBSCVUDYSS-ZIAGYGMSSA-N	231.383	4.658	0	10	BJAE	
CCC(C)(C)CCC(=O)C1C[C@H]2CC[C@H](C1)C2	1945325787	QIZYLVTVUCKIOI-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC=C[C@H](C)N[C@H]1CCC[C@H](C(C)(C)C)CC1	1947061931	VFGYCFRIBBOYJO-KKUMJFAQSA-N	237.431	4.536	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCC(F)(F)CC)C1	1947991935	YBYQSBJYXMBDBD-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)NC1CCC(C)(C)CC1	1948328173	SRSNLFZDZSFJHC-UONOGXRCSA-N	239.447	4.616	0	10	BJAE	
CCC1(C)CC(NCC2CCCCCCC2)C1	1948393749	WOIJAWZFLMFZRP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CCC(C)(C)C(C)(F)F)NCC	1948429039	JZKYMWVMLMUDPA-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCCCC[C@@](C)(N)CCC(C)(C)C1CC1	1949032145	JRRDJRLYWIIRKB-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CCC[C@@](N)(CCCC2(C)CC2)CC1	1949055434	RESZQBVONNPUFK-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](CC)C[C@H]1CCC2(CCCC2)C1	1949553195	XAEXFJVQEZGMOC-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@@H]1CCC2(CC2)C1	1950244922	GHCAYSVVVKKZMW-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCN1c2ccccc2CC[C@H]1C	1968431220	XWINHQBEMKHACK-CQSZACIVSA-N	245.410	4.654	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1N[C@@H]1CCCCC12CC2	1972742816	ITRMOEQKYAOVEE-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1cscc1C(F)F	1976003672	PFUHZDHHEZVARH-JTQLQIEISA-N	247.354	4.512	0	10	BJAE	
Cc1ccsc1C(=O)C1(C)CCCCCC1	1978449870	GQXMDWFLTPWJKR-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CC1(CC)CCC1	1988433596	URAXCPFRHOSHMZ-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC1(CCC)CC1)NCCC	1990646780	JSMAKCSGENLWOW-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)CCCCCC(C)C	1992976280	FURKPWJUEVFWGI-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC1([C@@](C)(O)C2CCCCCC2)CCCCC1	1995991588	QPMDKNNUOYBTKA-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
Cc1sccc1COc1ccc(C(C)C)cc1	1996036250	YTGRDPQIPXTKSZ-UHFFFAOYSA-N	246.375	4.759	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2CC[C@@H](C)C2)CC1	1996266652	CNGVPAGQOQDZSK-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC1(N)CC(C)(C)C(C)(C)C1)C(C)(C)C	1997768449	OSTVCHWMGWMOAP-LBPRGKRZSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C2(C)CCCCCC2)C1	2000219694	XCSJIHYHPQOBGA-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@@H](C)CC(C)C	2000504963	MOXINPURJAERJO-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C)C1(O)CC2(CCCCCC2)C1	2000670266	NUSKMKRGMYNBCL-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@]1(C)CCCC1(F)F	2002591549	SNYQBLDAOYIFBM-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2003023612	YBWAFICTXLOXQT-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CC[C@H](C)CC2)C1	2003067042	MBSCDKJLPMBYDO-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCCCCCC[C@@H]1O	2003112882	YRKOYULHYCMFTP-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]1CCCCCC[C@@H]1CCC(C)C	2003115781	DGETVLUGYHPQBD-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@H]([C@@H]2CCCCCCC[C@@H]2O)C1	2003115923	FPDARILHYCBODJ-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CC1(C)CCCC1	2003185437	SEWGWWGNYVLIHF-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CC(C)(C)C(C)C	2007623876	XRCPEUVZDDRNTE-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](NCCC)C1(C)CCC(C)CC1	2007688656	GLJUCRFBXKQHGQ-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@H](N)C=C2CCCCC2)cc1Cl	2007938318	WUQZZAZFHOISDO-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CCC[C@@H](CC(C)C)C1	2009593235	MSZHUBFNLRMQJC-CGFBPQRUSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@@H](O)C1=CC[C@H](C(C)(C)C)CC1	2010719739	GKDPBKLIVYTJGY-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1CCCC[C@@H]1CC	2013530464	JBTIJBXWFVTANG-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CSc1cccc(N[C@H](C)C2(C)CCCC2)c1	2014331766	WUPFJIXWYXYCKD-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CC(C)[C@H](C)C[C@H]1CCCCCCCC[C@@H]1N	2015410448	VJYKWLJUMRGVHG-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CCNC[C@@]1(CC(C)=C(C)C)CCCC[C@@H]1C	2017467475	WZMMDYMMIXLBHW-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC2CCCC2)CC1	2017655850	QVAVKVZPZZJQAQ-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCCC[C@]2(C)O)CC1	2017716152	PZOZKXVEMSTVCW-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCCCC[C@H]2N)CC1	2017720844	IILGYFZQUQJGJS-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)C[C@H]1CC[C@H](CC)CC1	2017729725	ZQNSFINRBUSWFP-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1C=CCCCC1	2018129901	FYSSSEWJKUMDJI-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(CF)cc1	2018130196	IDMYBMTXTCZVHK-AWEZNQCLSA-N	237.362	4.927	0	10	BJAE	
CCCC[C@H](CC)N(C)CCC(C)(C)C1CC1	2018181151	GSBBEUOYCGCJJJ-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCCN([C@H](C)CC)[C@H](C)c1ccccc1	2019112624	CNUGMAOWRLCODV-HUUCEWRRSA-N	233.399	4.648	0	10	BJAE	
CCCCN([C@H](C)CC)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2019123076	AXLZZEKBIZJOTC-QKPAOTATSA-N	239.447	4.712	0	10	BJAE	
CCCCCN(C(C)C)[C@@H]1CCCC[C@@H]1CC	2019202207	WIZTZBOUSLEHOP-JKSUJKDBSA-N	239.447	4.856	0	10	BJAE	
CCCCCC1CC(N(C)C[C@@H](C)CCC)C1	2019298867	DCKYUQSTMJXDBW-FHERZECASA-N	239.447	4.713	0	10	BJAE	
C[C@H](O)C[C@@H](C)CC1CC(C)(C)CC(C)(C)C1	2024120267	URDASXFRJMQMRH-OLZOCXBDSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)C[C@@H]1CCCC(C)(C)C1	2024127994	IYDLFSVPTPIYRV-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)CC2(C)CCCCC2)c1	2027311628	MPKZATOQJMJUOT-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CN[C@@H](CC1CC(C)C1)c1ccccc1C(C)C	2027590987	OMPAKALOSKCWET-KVULBXGLSA-N	245.410	4.507	0	10	BJAE	
CCCc1ccccc1CNCCCC(C)(C)C	2027908323	KBXGFJXMAXPFGR-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
CCCc1ccccc1CCCC(=O)C(C)(C)C	2027921521	WSJSVKPGKFEYNG-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CCc1cccc([C@@H](O)[C@@H](CC(C)C)C(C)C)c1	2028235929	UZLMGBKCBPEOSB-DLBZAZTESA-N	248.410	4.601	0	10	BJAE	
CCN[C@H](c1ccccc1CC)[C@H](CC)C(C)C	2028260644	DTUKNZPEUYJAIR-WBVHZDCISA-N	247.426	4.582	0	10	BJAE	
CN[C@@H](c1cccc(C2CC2)c1)[C@@H](C)C(C)(C)C	2028557588	OSRLBYZTWQVQMW-MLGOLLRUSA-N	245.410	4.507	0	10	BJAE	
CC(C)CCC[C@H](O)c1cccc(C2(C)CC2)c1	2028562823	OOBJBEDZNANZMJ-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)[C@@H]1CCC[C@H]1C	2028898668	VFBBSBQEIQOSBO-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2CC[C@@H]3C[C@H]3CC2)C1	2028965461	SOGAKUXTFUGBOM-OCVGTWLNSA-N	248.410	4.598	0	10	BJAE	
C1CCC(CCN[C@@]23CCCC[C@H]2CCC3)CC1	2031797352	DAEYLZUZHSUHBJ-DLBZAZTESA-N	249.442	4.659	0	10	BJAE	
CCCC1(CNc2cccc(C3(C)CC3)c2)CC1	2032243084	QMLBOTABSZQZDK-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
CCC1CCC(NC2(C3CCCC3)CCC2)CC1	2033048129	GVSQFQXYYNZIFM-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC(C)C1(Nc2ccc3ccccc3c2)CCC1	2033054902	DMCCCFURNXXOOV-UHFFFAOYSA-N	239.362	4.830	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H]2CC[C@@H](C)C2)c1C	2033401098	HOWOUFBDRLAFBB-BMIGLBTASA-N	244.378	4.539	0	10	BJAE	
CCCC[C@@H](NC1CC(CC)C1)c1ccccc1	2034970376	SNAZWSGFPIPOLG-BDVYOWHSSA-N	245.410	4.696	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CC[C@H]3CC[C@H]2C3)c(C)c1	2035046432	JPJJEENHXJJEGN-PMPSAXMXSA-N	243.394	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)C[C@H](C)c1ccccc1	2035495781	MMNJSNNCYGKXPO-USXIJHARSA-N	246.394	4.512	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C2=CCCCCC2)cc1C	2037101243	WTMDDRAQPXVSPG-KRWDZBQOSA-N	243.394	4.502	0	10	BJAE	
CCC1(C[C@]2(N)CC[C@H]3CCCC[C@H]3C2)CCC1	2037105573	NHDPAOURJROXDD-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)c1ccc(C)c(C)c1	2037169423	UFRDBKWGBGOMNJ-KRWDZBQOSA-N	245.410	4.614	0	10	BJAE	
N[C@@]1(CCC2=CCCCC2)CCC[C@@H](C2CC2)C1	2037171465	IUVKMSGOAKQRME-IAGOWNOFSA-N	247.426	4.565	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@@H](N)CCC2=CCCCC2)C1	2037171791	OEMPCHVFXBMUPZ-XKQJLSEDSA-N	247.426	4.587	0	10	BJAE	
CC1(C=C2CNC3(CCCCC3)C2)CCCCC1	2037754307	DKBLLDBOESKPLQ-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCC[C@H](NCCC1CC(C)C1)c1ccccc1	2038091516	FHYSNAFWTVZULR-DQPZFDDXSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCC(CC2(N)C[C@@H]3CCC[C@H]3C2)CC1	2038627514	XTTIRXXTWTZZOP-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C2(N)CC3(CCC(C)(C)CC3)C2)C1	2038893412	NVDSUWIDAAKJTK-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC2CC2)CC12CCCCC2	2039004500	AKHMYETZVHMNKU-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
C1CCCC(NC[C@@H]2CC23CCCCC3)CCC1	2039058977	QRYRNPJUORYVRS-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC=CC[C@@]1(CNC2CC2)CCCC(C)(C)CC1	2039376874	OWUBFGBIJMHXEZ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1[C@@H](NC)C(C)(C)CCC	2040718112	ZHLQRSKNSCWNCW-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H](C)C2CCC2)CC=CCC1	2042091188	JKAYABSOPSFAAM-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@H]1C=CCCC1	2043186121	BVYOJOTWDKLZKE-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCC1CCC([C@](C)(N)C2CC3(CCC3)C2)CC1	2043542084	XXEPXWWAONWAAW-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2CCC=CCCC2)c1	2045314490	KPRRWVQITHPHJX-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
Cc1ccc(OC[C@H]2CCC=CCCC2)cc1F	2045314642	MDKDASBBPBAMKM-AWEZNQCLSA-N	248.341	4.649	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@@H]1CC1(C)C	2045322066	BBMOIMZFQPYBAX-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC[C@H]1CCC=CCCC1)CC1CCCC1	2045331219	CUPHVCBPTLXTTP-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H]1CCCC(C)(C)C1	2045392569	VWPLJCHAYBPRLX-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@@H]1C=CCCCC1	2045683044	UWKIQMDXQXNCTQ-UXLLHSPISA-N	246.394	4.684	0	10	BJAE	
CCC[C@H]1CCCN(CC2CCC=CCC2)CC1	2046575149	MFRYCVBUDSMDDY-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CC12CCCCC2)C1CCCC1	2047064270	CVLJRQMDUZPAPY-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)c1ccc(O[C@@H]2CC[C@H]3C[C@H]3C2)cc1	2047350873	VLZUTSRPYXQXHC-HEHGZKQESA-N	244.378	4.552	0	10	BJAE	
C1CCCCC(NC[C@H]2[C@H]3CCC[C@H]32)CCCC1	2048405174	QLRUMLIDAIZETA-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H](N)C[C@@H]2CCC=CCCC2)CCCC1	2049805615	AXCZIRQYJGTKNL-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@H]1CCC2(CC2)C1	2049855481	JLIYYEYIJKIQPZ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(C2CC=CC2)CCCCC1(C)C	2053691209	IDTTXSOFYBBHIK-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@@H]1C=CCC[C@@H]1C	2055570918	DUIZLCDFXZTGFS-NXOAAHMSSA-N	249.442	4.536	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCCC[C@@H]1CNC1CC1	2059247399	PUGZSPWPXSBFJJ-REUDQUMMSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C(C)C)CC1)C1(CC)CC1	2061085053	OEVQCQZQQNDALS-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CNC(C)(C)C)[C@H](C)CC1CC(=C2CC2)C1	2061659830	CBCPVAYDBWCCMS-OLZOCXBDSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)CC2CC(=C3CC3)C2)CCCCCC1	2061729215	UDBRGGQOXQRCHP-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1N[C@H]1CCCCCC12CC2	2062015892	BYGFYVKULPLTPA-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2C[C@H]3CCC[C@@H]3C2)CC1	2063492251	XOYXPNQXWOHZTG-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(OC[C@H]2C[C@@H]3CCC[C@@H]3C2)c1C	2063536687	VCZIWTBWUKYBJK-PHZGNYQRSA-N	244.378	4.509	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(CC23CCC(CC2)CC3)C1	2065326610	DZFMQRQLRCCIFS-OTBWCIGPSA-N	249.442	4.502	0	10	BJAE	
N[C@H](CCC12CCC(CC1)CC2)CC1CCCC1	2065337420	ANWBHUMFRRCGPQ-ARWYELJZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](NC[C@H]1CC12CCCCC2)C1(C)CCCC1	2067507614	DBDHEMNAAGTMSA-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]2CCCC[C@@H]2C1)C1(C)CCCC1	2067510958	YTBZUYRYFWNPDR-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@](C)(N)[C@H]2CCC2(C)C)CC1	2068273428	JVYHCDQNODBFDV-JLJPHGGASA-N	249.442	4.523	0	10	BJAE	
CCCC1(COc2cccc3c2CCC3)CCC1	2069285440	RXVIQBNBCXTENW-UHFFFAOYSA-N	244.378	4.525	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@@H](N)CC2(C(C)C)CCC2)C1	2071937788	FQGCXAJGOJKLBO-IMJJTQAJSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(N)CCCC23CCCC3)CC1	2072795343	CQCHVHOTNYSIHW-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@]2(C)CC=CCC2)CC1	2072809016	KRLZQBXSSQFUHZ-SJJHQCBESA-N	249.442	4.667	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)Cc1ccccc1C	2074785278	SCFKKGWMVDLFCV-QGZVFWFLSA-N	247.426	4.642	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N(C)[C@H](C)c1ccccc1	2074793806	AXRSNSJMIOEKMR-PVAVHDDUSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC3(CCCC3)CC2)C1	2074893562	VMTPQNDJOCKTGY-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2C(=O)[C@H]3CC[C@H]2C3)CC1	2076515992	BOWLXTCBHDCUJA-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1CCC[C@H]2CCCC[C@H]21	2077196973	OUTPQMKJJSDXDK-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@H]1C[C@H]1C1CCC1	2079330061	WFKNVDLJPHUATN-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@@H]1C(C)(C)C)c1ccccc1	2079531266	QVVWOBWHVFYIQM-HRCADAONSA-N	245.410	4.552	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@@H]2C[C@@H]2C(C)C)cc1	2079551742	ACDVGUYNRMLYMU-GVDBMIGSSA-N	246.394	4.526	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2C[C@H]2C(C)(C)C)c1	2079618719	HERNISJBCRGJSP-GDBMZVCRSA-N	245.410	4.904	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H]2C[C@H]2C2CCCCC2)N1	2079665238	JXVBPNSNEUJPHE-HZMVEIRTSA-N	249.442	4.514	0	10	BJAE	
CC1(CC[C@H](N)C[C@H]2C[C@H]2C2CCCCC2)CC1	2079726237	RNBXRUTZOGQAAK-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CNC(C)C)([C@H]2C=CCC2)CC1	2081681978	LAYVDEUZNCKZEP-CGZBRXJRSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)c1cc(C)cc(C)c1C	2082920551	ZXZSPVYCVPLSCG-SJCJKPOMSA-N	247.426	4.699	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)CC(C)(C)C(C)C)c1	2082924712	BKZADWFDQNBDQN-MRXNPFEDSA-N	247.426	4.684	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)CCCC2CCC2)c1	2082925347	IWMSZCRKALYHAS-QGZVFWFLSA-N	245.410	4.582	0	10	BJAE	
CC1(C)CC(C[C@H](N)c2ccco2)CC(C)(C)C1	2082991027	NBYGALWEAYBJTC-ZDUSSCGKSA-N	249.398	4.522	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1cccc(C(C)(C)C)c1	2083548584	CQUNBEVPRDNMTN-CVEARBPZSA-N	247.426	4.666	0	10	BJAE	
CC(C)CC(=O)CCC1CC2(C1)CC1(CCC1)C2	2083613338	LOSUVCOYGAIJIH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@H]1C2	2086213174	YQLCTNOZEZDAEN-BQJWPVKWSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@]1(C)NCCCCCCC1CC1	2213576248	OBXWUISYGLZULE-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@H]1[C@@H](N)CCCCCCC1CC1	2213576603	RWPWAEDJSSJRFY-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
C[C@](O)(CCCCCCC1CC1)CCC(F)F	2213576702	SYHRZCBPACSXHG-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
CCCCCC(C)(C)CNCCCCC(F)F	2216447988	VSFWVZFBFWZSJM-UHFFFAOYSA-N	249.389	4.618	0	10	BJAE	
CCC[C@H](C)C[C@H](CN[C@@H](C)CC)C(C)(C)C	2217124649	JGFIQMMBZBIPDP-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)CC1CCCCC1	2217150753	OLRVECVFYZEOQW-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC1CC(CN[C@H](C)CC)([C@H](C)CC)C1	2217155414	CDEAMGYNPWUWBC-WXLSXGNJSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1NC1CC(CC2CC2)C1	2218480912	XHAYAZLSULHJFP-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
Cc1cc(NCCCCCCC2CC2)ccc1F	2218717383	CUGHATBZPVQBAW-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	2220632303	YVOLDUKIDYGAEP-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)c1cc(C)cc(C)c1C	2220965321	ZBPWLELHNRAKPI-LSDHHAIUSA-N	244.378	4.621	0	10	BJAE	
CC1=CC[C@@](C)(NCC2CCC(C)(C)CC2)CC1	2221603368	VJKUDSYEFPEDEU-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@@]1(C)CC=C(C)CC1	2221621033	CIDAOWWGKORLLO-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@H]1C)[C@]1(C)CC=C(C)CC1	2221630128	GXHMIYDWYKLWBB-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)CC2(C)CCCCC2)CC1	2221636487	VTLQJPLENRCGNM-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
C(CCCC1CC1)CCCN1CCC[C@H]2CC[C@@H]21	2223107772	ZDKGYAYUHYACHX-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@@H]1C[C@H]1C1CC1	2223130894	SANGISMBBKGBNY-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(CNC2CCC2)C=CCCC1	2223542451	QRGUPNICNLKCTR-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@@H](N)c1ccc(C2CCC2)cc1	2223699260	AUWRDAMMKRJMFN-IIYDPXPESA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1(C)CCCCC1	2244779270	CWCKIWVYGVQWAH-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCC(C)(C)C)NCC	2244779530	DKGSSUWTQRBCDD-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC[C@](O)(CC[C@H]1CCCCC12CC2)C(C)C	2246634908	VDZHFMUTFDXOEN-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C[C@H]([C@H](O)c1cc2ccccc2s1)C(C)(C)C	2246954853	DWKLKTWHLXCWJE-YGRLFVJLSA-N	248.391	4.617	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2CCC2(C)C)C1	2247446044	GSMMXLFQRXKBQF-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
FC1CCC(Nc2cccc3ccsc23)CC1	2250171267	DJIUMAKCGDKTOH-UHFFFAOYSA-N	249.354	4.594	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CC1CCC(CC)CC1	2250358887	PNJFYBJGCZIKTP-FJBKBRRZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1ccc2sccc2c1	2250369715	WDPIZNIJKLJEPH-XHDPSFHLSA-N	248.391	4.761	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCCCC(C)(F)F)NC	2250371710	MPXSYMNVXWGQIG-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1C[C@H](C)C[C@H]1N	2250482343	UBKVRINLKHYKHH-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@H]1[C@@H](NC)C(C)(C)CCC1(C)C	2251711759	KCDFXPDUEORZGI-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CCC1CC(C)C1	2251762404	CBTQYVPLZWEBQL-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN[C@@H]1CCCCCC12CC2	2254517295	QHFHHEMDSFMCQZ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CCCC[C@@H]2C[C@@H]2C)C1	2254587804	RAIBVOGDPXRBBV-BTYMGIQYSA-N	249.442	4.523	0	10	BJAE	
CCc1cccc(CC)c1NC[C@H]1CCC1(C)C	2254955623	WRFLUCLIOPLTIB-OAHLLOKOSA-N	245.410	4.660	0	10	BJAE	
CC(C)C1CCC(N)(C[C@H]2CCC23CCC3)CC1	2255015698	HLGMHDKYLHRBGK-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](N)C[C@H]2CCCC23CC3)CC1	2255222221	AHGRLDSMPUGPSR-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C[C@@H]1CCCC12CC2	2255222968	LFVPWQKBXGFRBW-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2CCCC23CC3)C1	2255229876	SPIVOPZNIZBKKK-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2CC[C@@H]2C2CC2)c1	2257905322	AAMFESLAUJTHFU-CVEARBPZSA-N	243.394	4.585	0	10	BJAE	
CC1(C)CC(C[C@H](N)C[C@@]23CCCC[C@H]2CC3)C1	2260615030	YZAANHDPPMVKJW-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(C[C@]12CCCC[C@@H]1CC2)C1CCCCC1	2260668027	DURSRXRYGXSVOY-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC(CC)CC)CC1CC(C)C1	2300689321	WWDZNSZWLXFIDB-AVVWSFFYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@H]1CCC1(C)C	2300704488	RSKVXDWCGPHQMX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CC(C)(C)C1CC1	2300871083	BLMBKGNQNNLTMQ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCC1(O)CC(C)(C)CC(C)(C)C1	2300899350	NEDZMJOTUYNLBE-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC=CC[C@@H]1CCCCC[C@@H]1CNC(C)(C)C	2300926846	PJLQIWJTCCHCKS-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc2c(ccn2[C@H](C)[C@@H](C)C(C)C)c1	2301831123	BPUGNRUWAGOQNU-UONOGXRCSA-N	229.367	4.803	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@@H](C)[C@H](C)C(C)C	2301831624	FLPXIPOTWZNQRG-IJEWVQPXSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)(C)C1)CC(C)(C)C	2302675490	LSGGFAHLOUWGDH-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H]1CCC(C)=C(C)C1	2303524626	SIWGLXJGTCEJCZ-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@H](CSc2ccccc2O)CC1	2303595238	QOQBTPROZQIVQI-CYBMUJFWSA-N	248.391	4.621	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@@H]1CCC(C)=C(C)C1	2303603190	PWEKSMOCCBORRX-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC(C)CN(CC[C@@H]1CCC(C)(C)C1)C(C)C	2304439630	LUTKHNAEYVSKQD-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](CC)CN1CCCC[C@H](C(C)C)C1	2307749606	MCZXIOVORLMQKI-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC(C)(C)C[C@H]1C	2307824945	YQNSMBVNQBRODA-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)Cn1ccc2c(F)cccc21	2307901694	IVXDSCBBKWLTCW-LBPRGKRZSA-N	233.330	4.607	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CC(C)=C[C@H](C)C1	2307908607	QFZGWOVCCDVWIU-TUUVXOQKSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@]23CCCC[C@@H]2C3)CC1	2311148850	CDQSJVYTWGMMPN-NCOADZHNSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(CC(=O)C(CC2CC2)CC2CC2)C1	2313652551	XTZXAXLTOHOUPJ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(=CCNC1CC2(CCC2)C1)CCCC(C)C	2316498116	ZIZPHNFFASVNEY-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@]2(C)C[C@@H]12)CCCC(C)C	2316500012	URGJEMFYYUDYRS-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
NC[C@H]1CCC2(CCC2)[C@@H]1CC1CCCCCC1	2317004306	ZIGWMBDSHQWPNN-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2CC23CCC3)cc1	2318905290	ISZSZGCNNLPNQZ-ZFWWWQNUSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@H]2CCCC23CCC3)C1	2319123701	ZPTDZCMFHNALPD-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](CC(N)(C2CCC2)C2CCC2)C1	2319316915	GYFDBWFMBSVPPQ-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2CC[C@H]2C2CC2)CCCCC1	2319581805	RUWAFHJORGBBHP-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC(=O)[C@@]1(C)CC=CCC1	2320258136	KFUTVXOHEWRSNB-KEYYUXOJSA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@](N)(CC2(C)CC3(CCC3)C2)CC1	2320269343	ZIPPXUHTBNRSAG-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@H](CN2CCCC23CCCC3)CC1	2320348606	RYXRLPZJCCPSKG-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC1=C(C)C[C@@](N)(C[C@H]2CC23CCCCC3)CC1	2320388260	OFSIZZFFFXBIHD-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](COc2cccc(C)c2C)CC1	2320388349	PHVVJIYOKSHQQM-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
CCC[C@@H](CC)N(C)Cc1cccc(C(C)C)c1	2320637787	WQOODNRYJWDNNG-QGZVFWFLSA-N	247.426	4.821	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)CCC2CCC2)c1	2327680833	MLNGOUMCOZTNFU-UHFFFAOYSA-N	244.378	4.881	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)c1F)[C@@H]1C[C@@H]1C	2327807834	MIXSCCIFNPGKLK-YUTCNCBUSA-N	249.373	4.796	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC2CC2)CC12CCC2	2328200977	CUSQAFXBHSIHRR-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C[C@@H](C)c1ccccc1	2328271669	BQFPPDFMKJQEJN-HLLBOEOZSA-N	247.426	4.724	0	10	BJAE	
CC[C@H](NCCC1=CCCCC1)c1cccs1	20021424	GYWOKCJWCFILEM-AWEZNQCLSA-N	249.423	4.679	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NC1CCCCCCC1	21801087	MTGYURQHTXXIFV-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)c1cc(C)oc1C	69378635	XACBXNGXBPCNPD-OCCSQVGLSA-N	237.387	4.516	0	10	BJAE	
CCCCCC[C@@H](C)NCc1cc(C)cc(C)c1	70138929	FOTUWCQGCCOUSM-MRXNPFEDSA-N	247.426	4.752	0	10	BJAE	
CCCC[C@@](CC)(CCC(C)C)CNCC	71127923	FHLOAZVPWNUKCP-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)[C@H]1CCCC[C@H]1CC	71160794	CPCXZMPUZSOOCK-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](c1ccccc1)c1ccc(F)c(Cl)c1	75841843	OIWXERRDRLPKOL-SNVBAGLBSA-N	234.701	4.631	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC[C@H](C)C1)C(C)(C)C	80422176	KGZFTQNMWDMEHT-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)COc1ccccc1C	85149637	DXIYWVCDDSIXKJ-AWEZNQCLSA-N	220.356	4.590	0	10	BJAE	
CCCC[C@H](CC)C/C=C/CCNC(C)C	86571647	DGLQKSIVNFTSHB-HVHJFMEUSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCC[C@H](CCC)CC1	86940025	DGOSCOWZMWVEHV-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H]1CC[C@H](CC)C1	88018094	SAHGHQLMWAOYRX-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Clc1cccc(-c2cccc3ccsc23)n1	88039505	KYBIXCDYZSSGRS-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](C)Nc1nccc2sccc12	88298561	OTWYHEBZPJJMOC-WDEREUQCSA-N	248.395	4.533	0	10	BJAE	
Cc1ccc(C(C)C)cc1CCCCC(C)(C)O	98128452	CDWWJRMKFNIKLD-UHFFFAOYSA-N	248.410	4.602	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CCC[C@H](C)C2)cc1	103929377	DHRUXEFPMOOHFR-BBRMVZONSA-N	244.378	4.819	0	10	BJAE	
CCCC[C@H](N[C@H](C)C(C)(C)C)c1ccccc1	122581135	KUJAYTPWZXQVSS-ZBFHGGJFSA-N	247.426	4.942	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1C(C)(C)C1(C)C	124977828	XQQBXCNTTCYWDN-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
CCCC(CCC)[C@@H](CCC(C)(C)C)NC	126740915	VVMUFXPMVAQCBD-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](c1ccc(C2CCC2)cc1)[C@@H](C)CC	133188283	BMUPVSDBBLCEDR-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CC(CC)CC)CC1	147999458	FMHOJOISWRIEPY-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(C)cc1	159888852	NBMXUTSYLAHBBI-BFYDXBDKSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cccc2c1CCCC2	163736785	IXCPYHYGQAVGCX-CJNGLKHVSA-N	243.394	4.556	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)c1cccc(C)c1	203328311	KJLAYDUNABQVKT-NVXWUHKLSA-N	248.410	4.809	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@@H](CC)C1)C(C)(C)C	226997094	GFYIFFIHSYIHPV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
O[C@H](CC1CCCC1)c1cc2ccccc2s1	229294202	MKZUYJZDGBZYPE-CYBMUJFWSA-N	246.375	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)c1cccc(C)c1	229309545	QOENROOUIHATIK-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@@H](C)C(C)(C)C	229557709	JFIHMJLZSAWXHU-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc2c([C@@H](C)CC(C)C)c[nH]c12	232621901	UMEHYWZACPWAEB-LBPRGKRZSA-N	215.340	4.626	0	10	BJAE	
CCC1(CN[C@@H](C)c2ccc(C)cc2)CCCC1	233083834	PFMFNVXBQPZACD-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
CCC1(CN[C@H](C)C2CCCCC2)CCCC1	233091390	MXKKOJBREIGBRA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1c(C)cccc1C	233923195	TWSATKKWTHJCNA-CABCVRRESA-N	244.378	4.703	0	10	BJAE	
CC(C)CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O	251451224	XDHNYMZGRJSEFU-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@H]1CCC[C@H](C)C1	300664381	PQOBENXJSCEITC-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H](C)CC(C)C)NC	302263760	CCBADULSVDTLBW-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)CC1CCCCCC1	304192633	VQYIDLNQXHAZHJ-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
Clc1ccc(O[C@H]2/C=C/CCCCC2)cc1	304201954	XRHQYZJOCOGXNP-BPJJOFIESA-N	236.742	4.608	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CCC2CCCC2)C1	305907278	DGQPUNJEFUQKDP-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CCC1CCCCC1	308058845	UUHMVJOURTXYJS-HNNXBMFYSA-N	238.415	4.988	0	10	BJAE	
Cc1c(C(C)(C)C)cc(S)cc1C(C)(C)C	309348277	MRYBDHSIBMBNPX-UHFFFAOYSA-N	236.424	4.879	0	10	BJAE	
CCCCCCN[C@@H]1CCCCC12CCCC2	310250051	KGDXPIXPTSHVOG-OAHLLOKOSA-N	237.431	4.659	0	10	BJAE	
CCCC[C@H](CC)COc1ccc(C)c(C)c1	310309242	SREAWVPLUNLIGU-HNNXBMFYSA-N	234.383	4.899	0	10	BJAE	
CC(C)c1ccccc1[C@@]1(N)CCCCC1(C)C	310819473	HYJUWNRFDDNBFR-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CC2CCC1CC2	310892881	UXRNFCQWYNULDM-MXPGSBBYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC12CCCCC2)C1CC1	313006874	MQSBYWCCMHIROC-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H](NCCCC(C)(C)C)c1ccccc1	313268772	XBLLUAZIZUQWPD-MRXNPFEDSA-N	247.426	4.800	0	10	BJAE	
CCCNC[C@@H](CC)C[C@H](C)C1CCCCC1	379966377	FUJAQRYTGKKHBG-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CCC[C@@]1(O)CC1CCC(C)(C)CC1	380038103	IJDNLBUMPPDLLU-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)CC1CCC(C)CC1	380203714	RTBNEHCSFQSYEW-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](N)C[C@@H](C)CC(C)C	380564219	WYLWYQXNQPJWKB-USXIJHARSA-N	247.426	4.580	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@@H]1CC2CCC1CC2	381703889	PGILTOTUDWESSJ-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCCC1(C)C	383091172	CCXSNMUSLWLNFK-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@@H]2CCC[C@@H]2N1	383412272	XIIQPHHEIIVJRN-XHSDSOJGSA-N	237.431	4.514	0	10	BJAE	
CCCCCCC(=O)c1cc(C)c(F)cc1C	386330686	PNHLRUHLSKASNV-UHFFFAOYSA-N	236.330	4.596	0	10	BJAE	
Cc1cscc1N[C@H](C)CCC(C)(C)C	387044821	RRWUMLVFTNYWAT-LLVKDONJSA-N	225.401	4.683	0	10	BJAE	
CC[C@@H](N[C@@H]1CC12CCCCC2)c1cccs1	387114031	JBHWGIAMHFEJHY-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
CC(C)/C(=C\C1(C)CCCCCC1)CNC1CC1	394657825	BDEQQPGZXIEGQQ-QINSGFPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC1CC1)CC1(CC)CCC1	395495780	KGIGTYXOKJSZCX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2C[C@@]2(C)CC)CC1	397488548	XNPNJCVNZFUOEQ-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CCC1CC1)NCCCC1CCCCC1	398077446	CCPCGGXSVXERIO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@]1(CNC(C)(C)C)CC1=CCCC1	401102394	YXKNOKYVCGBEGC-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CCCC1CCC1	688361566	UWWSOTSHKFHSLM-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@H]1Nc1cccc(C2CCC2)c1	690121651	MXPUJGRKYGWDBP-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1ccc(F)cc1	691167313	OQZUZQCHWFHOBV-DOMZBBRYSA-N	235.346	4.597	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H]1CCCCC[C@H]1CC	691170355	HAAWXBGETZHAKJ-OAGGEKHMSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)CC1CCCCCC1	692105221	JPJGOAWJSUOPJS-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCc1c(OC(C)(C)C)cccc1C(C)C	694950145	AZWAIQBTWYYJEB-UHFFFAOYSA-N	220.356	4.550	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H]1CCCC(C)(C)CC1	695100648	SYYILFBSPGUXGD-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@H](C)C(C)(C)CC	695152183	JCAHYVUCXZUUHK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CCCCC1(F)F	697203145	BTELAABMWKRAJS-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@H]1CCCC[C@@H]1C	704852872	XKMYVFVTUBMXNK-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)c1cccs1	704888291	DVKQLGROKLDQNY-GXTWGEPZSA-N	239.428	4.529	0	10	BJAE	
c1cc(OCCCC2CCC2)c2ccsc2c1	705026004	AHFFVFXMEBFEHL-UHFFFAOYSA-N	246.375	4.860	0	10	BJAE	
C[C@H](C[C@@H](N)CC(C)(C)C1CC1)CC(C)(C)C	709090937	QMLRTFKEESSPBO-TZMCWYRMSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](CC(=O)[C@@H](C)CC(C)(C)C)CC(F)F	709153783	TVTAYVOLVXISJW-QWRGUYRKSA-N	248.357	4.699	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H](C)C(C)(C)C)NCC	711156506	HHMNPWABODNBGD-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C\CCc1cccc2ccsc12	713746703	RVAQDNDJOITFKR-ARJAWSKDSA-N	214.333	4.576	0	10	BJAE	
C=C/C=C\CCCc1cc(F)ccc1Cl	713746721	SHZVSIWLKJSULD-ARJAWSKDSA-N	224.706	4.544	0	10	BJAE	
CC1CCC(N[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1	714303030	HUPDZISWWMVDCL-QTPCEWDRSA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCc1cc(Cl)ccc1OCCC	714565722	PATKKUFNLBPKFA-HWKANZROSA-N	238.758	4.638	0	10	BJAE	
CCN[C@H](C1CC2(CCC2)C1)C1(CC)CCCC1	717567067	YGMNOTPMMFYVOE-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(F)(F)CCCC(=O)C1CCCCCCC1	718712576	PMTZZDQZTKPOQR-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCCCC1(C)C	718984842	FJPLSCDDTJVNCR-OAHLLOKOSA-N	239.447	4.904	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1CC12CCCCC2	719297354	KIYKYVAQACESBI-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccc2cc(Cl)cc(Cl)c2n1	722198231	DUIYFKVSJVSASD-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
c1ccc(CSCC2CC3(CCC3)C2)cc1	1165433829	OPNJTQQLWSUZPS-UHFFFAOYSA-N	232.392	4.500	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](NC(C)C)C(C)C)cc1	1461006508	HCJLRWNVBMWZFA-PBHICJAKSA-N	247.426	4.895	0	10	BJAE	
CCC1(C)CCC(N[C@H](C)C2CCCC2)CC1	1664713434	UECNCDMMEXZWGG-IUDNXUCKSA-N	237.431	4.514	0	10	BJAE	
C/C=C/CCCCC[C@H](C)C(F)(F)F	1888885154	WPIIPYRJGYOCPL-FSIBCCDJSA-N	208.267	4.711	0	10	BJAE	
CCC(CC)CC[C@@H](O)CCC1CCCC1	1900700261	BXEKFORAISJMBL-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H](C)[C@H](C)C(C)C)c1	1901712263	XGRLVCTVIAXWLB-VXGBXAGGSA-N	239.790	4.741	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@@H]1CCC[C@H]1C)NC	1906209911	UTBRCBKXQVGFMK-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)C[C@@H]1C[C@H]1C(C)(C)C)C(C)C	1910807953	OORXSXTZRGFDDC-MELADBBJSA-N	238.415	4.700	0	10	BJAE	
CC1(CC2(N)CC3(CCCCC3)C2)CCCCC1	1912717692	SYOLVCZIBPGZNV-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H]1CCCCCCCC[C@@H]1O	1913394122	ZVYORJXYVNAXCU-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)CC[C@@H]1CCCC(C)(C)C	1916012780	BOPLPLRSSAIUMG-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@@](O)(c1ccccc1)C(C)C	1919885853	MKGNLDMASOGDGT-KRWDZBQOSA-N	246.394	4.667	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H]1[C@H]2CCCC[C@H]21	1920198067	QGKPYIGRQDQIOK-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CCCC1CCC1	1920204821	UWIKYQHLNAPFNF-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@H](C)C1CCCC1	1924099019	PPCBLYXETOBWBS-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
Cc1cc([C@@H](N)C[C@@H]2C=CCCCC2)sc1C	1925903371	UEQQYADOIQUJHR-KGLIPLIRSA-N	249.423	4.501	0	10	BJAE	
OC[C@]1(C[C@H]2C=CCCCC2)CCC=CCCC1	1925941273	UUMWMMLUWJAYRO-DLBZAZTESA-N	248.410	4.622	0	10	BJAE	
CCC1CCC(CNC[C@@H]2C=CCCCC2)CC1	1925942022	DNKDLAWIIQWINU-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CC(=O)c1ccc(C(F)F)cc1	1926181167	YTCCWRVYURQNOJ-UHFFFAOYSA-N	240.293	4.633	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1cc(Cl)cs1	1933836457	XMVXZPWUSSMIRF-LLVKDONJSA-N	243.803	4.538	0	10	BJAE	
CC[C@H](C(=O)CCC1CCCCC1)C(C)C	1936208881	MMGRIAKSGKMNNR-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)CC1CCC=CCC1	1936554979	LAPQDSWAGIUAAP-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
Cc1cc(N[C@H]2CCCc3ccsc32)cs1	1938569600	IPAIJCRTDBRXSK-LBPRGKRZSA-N	249.404	4.608	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1cscc1CC	1938814708	VVCQSNREVLNXPW-LLVKDONJSA-N	238.396	4.710	0	10	BJAE	
CC(C)CC[C@@H](C)NCC(C)(C)C1CCCC1	1940761690	BVSBCRJSEBROQD-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)C1=CCCCCCC1	1941265720	XAZJRYAIKFTZHC-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](N)C1CCCCCC1	1941266145	ADYZWFAHEIFGOL-HOTGVXAUSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)C[C@@H](C)C1CCCCC1	1941268617	HWMQDZXKQMGHSH-BMFZPTHFSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)c1csc([C@@H]2C[C@H]3CCCC[C@@H]32)n1	1941710315	NPFUEWXJHBLHNK-GRYCIOLGSA-N	249.423	4.734	0	10	BJAE	
C[C@H](C[C@H](N)CC1CCC=CCC1)C(C)(C)C	1941795088	GGDJULSCDXBBIE-HIFRSBDPSA-N	237.431	4.523	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944201952	GLWFBALOIWHEOW-LJISPDSOSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](CC(=O)c1cccc2sccc12)C1CC1	1945969922	JCMODHPIXZECCA-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C1(C)CCCCCC1	1949041947	VUIKEMTXWOJHGB-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
Cc1sccc1C(=O)[C@H]1CCC2(CCCC2)C1	1949500535	FFKUZSZVBAQYSG-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCCC1CCC(C(=O)[C@H]2CC[C@H](C)C2)CC1	1949505347	JOKRHLNVCZHAGY-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCC[C@@H](N)CC1CCCCC1	1949914506	FCARMSNZRFRXAL-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1CCCC(F)(F)CC1	1950011595	KBZOJTOHTYTKLT-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccc2sccc2c1	1950099919	JCQJWBGWLUNQMB-ZDUSSCGKSA-N	245.391	4.892	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2C[C@@H]3CCC[C@@H]3C2)c1	1950297219	PZFZOZNHJDRJHU-CLLJXQQHSA-N	249.785	4.639	0	10	BJAE	
CC(C)C[C@@H](C)[C@@]1(CN)CCCC(C)(C)CC1	1950916954	CIFNNWUIZQFPBF-ZBFHGGJFSA-N	239.447	4.604	0	10	BJAE	
C1CCC(N[C@@H]2CCCC3(CCCCC3)C2)CC1	1968244692	RUGNBPHZBHAVQD-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CCC(C)(C)CN(CCC(C)C)CCC(C)C	1968282555	KKINGGRJLNDTKJ-UHFFFAOYSA-N	241.463	4.817	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](C)CCCC(C)C	1968309619	NOZVFCZZYUTUBL-KBPBESRZSA-N	227.436	4.616	0	10	BJAE	
CSc1ccccc1NC[C@@H]1CCC(C)(C)C1	1968327561	ALPWRXMOBMPMOF-GFCCVEGCSA-N	249.423	4.647	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC2(CCC2)C1)c1cccs1	1968431186	XIXNZDDCUOLXOH-CHWSQXEVSA-N	249.423	4.512	0	10	BJAE	
CC[C@@H](C)N(Cc1ccccc1)C[C@@H](C)C(C)C	1968431692	DZWXGRWMXSUOIU-HZPDHXFCSA-N	247.426	4.579	0	10	BJAE	
Cc1cccc(N[C@@H](C)CCC2CC2)c1Cl	1969847043	SURGDHRPJRKVPR-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCC[C@@H]1CCCCN1C[C@@H](C)CC(C)(C)C	1970607273	UJCWCGMGTQJYTF-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
C[C@H]1CCCC[C@H]1CNC1(C2CC2)CCCCC1	1973782592	YKIZUZMFWXMKHH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@@H](C)CCC	1978647904	BPYLTSCRWMIPBP-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCCCCCC1=O	1980353298	YBZRCZAYIMIFHJ-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
CC(C)CC[C@H](O)C1(C)CCCCCCC1	1981416402	ONWKMSATAMHEHW-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
C/C=C/CCCC[C@H](O)c1ccccc1Cl	1984605347	AIZPWJFKFMPQAT-HSWBROFVSA-N	238.758	4.510	0	10	BJAE	
CCCCC[C@@H](C[C@H](C)C(C)C)NCCC	1988221983	UXXKFEXPIHQUJE-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@H](C)C(C)(C)C	1988794943	ODXRTYWWJLCQOJ-ZFWWWQNUSA-N	226.404	4.556	0	10	BJAE	
CCCCC[C@@H](CC)NCc1cscc1C	1990098907	RBTCPZHAJYODTM-CQSZACIVSA-N	239.428	4.505	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(N)C1(C)CCCCC1	1995985766	AJZFHIZOGAPVOT-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)[C@@](O)(CC)C1CCC(C)(C)CC1	1996549485	VXIHYXXYZREVNZ-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC[C@@](N)(CCCC1(C)CC1)C1CCCCC1	1996570487	ODORDCRHBLSUJP-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@](C)(N)C1CCC(C)(C)CC1	1996587449	XUNGYVVMINKOAQ-WOSRLPQWSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H](C)C1CCCCC1	1996602745	KOPPBULTOGYDDV-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNCCC=C(C)C)CC1	1997215914	RVTPMASAZCFWDB-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@@H]1CC=CCC1	1997546872	RBMMDJIZIOHBLK-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H]1C=CCCCC1	2000484606	SOJXJGLAQPXZJG-CVEARBPZSA-N	237.431	4.668	0	10	BJAE	
CCC[C@](C)(CNC)C[C@@H]1CCC=CCCC1	2000521515	VVCKCPSXYSGPSX-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCCCC1CCC([C@@]2(O)C[C@H]2CC)CC1	2003104833	ZEKPNXDCNZSAPA-GYTBAZASSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H]1CCCCCCC[C@@H]1NC	2003115551	BRJMXOQTHOWGKV-CVEARBPZSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC=C(C)C)NCCC	2004228930	DPDWMRXGDBRBIY-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@H](C(C)C)C1(C)CCCCCCC1	2004923707	UDPMUAVMDVEOMJ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)CC1(C)CCCC1	2007622659	NQHBRYULOITNQI-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C)(C(=O)CC2CC(C)(C)C2)CC1	2007683352	NSIBDRZHKUCEFM-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC1CC(CC)C1	2007754309	NJTZDMAPBUIDPU-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CC=CCCC[C@@H]1CCC[C@@H]1CNC(C)(C)C	2009617249	QMCNLVXFZFYCOA-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H]1CCC(C)(C)C[C@H]1NCC	2009626550	FLGQLKKKWNGGON-SJKUQHEZSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(=O)C1CC(=C2CC2)C1)CC(C)(C)C	2011099515	XLISKEUNMADVDV-NSHDSACASA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H]1C[C@@H]([C@@H](C)CCC)CC(C)(C)C1	2012041432	KQTZJKVCEXOOCL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](CC)(CNC1CC1)C(C)C	2012424398	DWQPIABMGHKHLE-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)NCCC12CCC(CC1)CC2	2012787423	GFWIQSQWVVROCD-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](C)C2(C)CCCC2)c1	2014338107	HDWNXXKQNZPCBS-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CCC1(CC2(O)CC(CC(C)(C)C)C2)CCC1	2015598103	PNJIAKGGBGPVQG-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC2(C(C)C)CCC2)C1	2017115562	ZIHIFEGTJAODSZ-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@H](C)C1CCCCC1	2017792420	AFNIUNSROXIYGD-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@H]1CCCC[C@@H]1C	2018189406	SUHWOFIDTDJMJN-JYJNAYRXSA-N	239.447	4.856	0	10	BJAE	
CCCCN(CCCC)[C@@H]1CCC[C@H](CC)C1	2019200994	ISGXFXFTBYLOEJ-JKSUJKDBSA-N	239.447	4.857	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)C1(C)CCCCCC1	2022554393	NYOZHYRVAVXIPR-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CCCCC(C)(F)F)NCC	2023298061	WFVPBUDKMFMGSV-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
Cc1ccc(OCCCCC(C)(F)F)c(C)c1	2023346619	USPMGLFSTFEBJL-UHFFFAOYSA-N	242.309	4.508	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H]1CC=CCC1	2027903562	NJWQMJBORZMHLA-AWEZNQCLSA-N	242.362	4.568	0	10	BJAE	
O[C@H](CCCC1CCC1)c1cccc(C2CC2)c1	2028495381	LYUJHKBIAHJVOF-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CC1([C@H](N)c2ccccc2C2CC2)CCCCC1	2028562526	LVHZGQCHCXLPGR-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC1(C)CC[C@@H](CN)[C@H](CC2CCC=CCC2)C1	2028875904	RONRIYFWKNKLIW-JKSUJKDBSA-N	249.442	4.524	0	10	BJAE	
CC1(C)C[C@@H](Nc2ccccc2F)CC2(CC2)C1	2030289400	YFTTWIHDMRVGKO-GFCCVEGCSA-N	247.357	4.597	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC1(C)C)C1=CCCCCC1	2032366617	UTQOBOWCHQLMAA-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(c1cccc(C)c1)[C@@H](C)CCC(C)C	2037210096	QLXZLWRGNNDDDZ-DOTOQJQBSA-N	247.426	4.631	0	10	BJAE	
CC1CCC([C@H](N)[C@@H]2CCC3(CCCC3)C2)CC1	2037595099	UPYRVHKUSYLLNS-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](NC1CC2(CCC(C)CC2)C1)C1CC1	2038941321	SROLWLVHIISOKH-LYOOIAODSA-N	249.442	4.514	0	10	BJAE	
CCC1([C@@H](NC)c2cccc(C(C)C)c2)CCC1	2039721022	ZKFXIRHOJWRRRM-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@@H]1CCC=CCCC1	2045317973	QOQFDJQXCPGKCU-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2046484339	XWPNFSQWRSEZJU-HZMVEIRTSA-N	249.442	4.514	0	10	BJAE	
O=C1CCCCCC[C@@H]1[C@H]1CCC2(CCCC2)C1	2049707885	LOCRUAIJXQEONH-LSDHHAIUSA-N	248.410	4.886	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@@H]2CCC3(CC3)C2)C1	2049848924	MRWZKLFPTPLSDQ-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C[C@@H]1CCC2(CC2)C1	2049861636	DPARZUXKLZHQAQ-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@@]2(C)C=CCCC2)C1	2050001249	WJSWAGNVGLOFLP-HWMZRRJGSA-N	248.410	4.764	0	10	BJAE	
CC[C@@H](NC1CCC(C)(CC)CC1)c1ccco1	2051659084	VIGMQUSYONIHRT-NPCAHTBFSA-N	249.398	4.679	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C[C@H]3C[C@H]3C2)CCCCCCC1	2052479735	PGIWUXGVWJSBBX-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CC(C[C@]2(N)CCCC23CCCC3)C1	2056642266	HFFDGQNIAGHTGM-VMBOVVBDSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC(=O)C2(C)CCC3(CC3)CC2)C1	2056666322	PGQBATNCCSETDH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@]1(CNC2CC2)CC[C@@H](CC)C1	2059258548	HNFPNSMQQFOKIY-LDHYMBSASA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(N[C@H]2CCCC[C@@H]2C2CC2)C1	2059394399	VGBGQQVLTBHFGW-BNICSPFPSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(C)c(C(F)F)cc1C(F)(F)F	2060359459	KOYSOIXXDWUIEG-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1C1=CC[C@@H](C(C)C)CC1	2061149395	CLQOMJWQKQFVGY-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C(CC(=O)c2ccccc2F)CC1	2061193873	CEPPHFXFBSNLSI-GFCCVEGCSA-N	246.325	4.535	0	10	BJAE	
O[C@@H]1CCCCCCC[C@H]1CC1CC(=C2CC2)C1	2061693221	DRSGYKCBEJQOAF-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
O[C@@H](CC1=CCCCC1)CC1CC(=C2CCC2)C1	2061694086	OJZMTJDHBMCWGF-KRWDZBQOSA-N	246.394	4.518	0	10	BJAE	
N[C@H](CC12CCC(CC1)C2)C1CCCCCCC1	2065273233	SAVCLYGIFFNTMR-ARWYELJZSA-N	249.442	4.645	0	10	BJAE	
N[C@@H]1CCCCCC[C@@H]1CC12CCC(CC1)CC2	2065331945	AHKPQCHVJQGVEV-JCCCHCCOSA-N	249.442	4.645	0	10	BJAE	
CC[C@](C)(CCC=C(C)C)Oc1ccccc1N	2067110201	KGRLXYIQQQGUOI-MRXNPFEDSA-N	247.382	4.563	0	10	BJAE	
CCN[C@H](CC[C@@H](C)C(C)C)c1ccccc1C	2069017261	TZCLEEFZUYSUMY-RHSMWYFYSA-N	247.426	4.718	0	10	BJAE	
CN(C[C@@]12CCC[C@H]1C2)C1CCCCCCCC1	2070946232	FHUNYDZLRLXYTK-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)c2c(C)coc2C)CC1	2072799182	QEFCSMOYJVBQAO-RBSFLKMASA-N	249.398	4.503	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2C[C@H]3CCC[C@H]32)CC1	2072874177	XSPZMXFOMFNNMF-KDQUWOQTSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](O)c2c(C)cc(C)cc2C)CC1	2074617974	AEMBOBZLANEYHY-OAHLLOKOSA-N	246.394	4.616	0	10	BJAE	
CN(CCC1=CCCCC1)[C@H]1CCCC(C)(C)C1	2075146093	NUOSIOQSNHWGPG-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1Nc1ccccc1C1CC1	2077264767	ZROPSRZSDDVMJR-CZUORRHYSA-N	243.394	4.945	0	10	BJAE	
CC(C)=C(C)CNC[C@H]1C[C@@H]1C1CCCCCC1	2079465648	NAMAJZDBCWKUSC-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]1C1CCCCCC1)C1(C)CCC1	2079530676	RIOVIECRWVKVLY-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)C[C@@H]1C[C@@H]1C1CCCCCC1	2079863653	KHMQOHHXCJCFSC-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@H]1C[C@@H]1C1CCCC1	2079870703	NIIULXCYCBUKHX-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC1(N)CC2(CCC(C)CC2)C1	2079887108	TWSDNCSKQAZRGG-CHTYNLMKSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCCC2(CC2)C1	2081954249	CZCPIXCSCQNATM-CQSZACIVSA-N	247.357	4.523	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1cc(C)cc(C)c1C	2082941733	JOQOYOZGGULZPY-QGZVFWFLSA-N	246.394	4.782	0	10	BJAE	
CCCC(CCC)C(=O)Cc1cccc(C)c1C	2082954269	SRTLBDXJIWEPRB-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCCCCCCC1CC1	2213572320	USZZTWTWBSXGOY-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@](O)(CCCCC1CC1)C1CC1	2214562031	CUUOCWIMMYDOSD-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(N)(CC(C)C)CC(C)C	2215249279	MGYDBICORPVFCM-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC[C@@H]1C[C@@H]1C)CNC(C)(C)C	2215249865	MLZRVVQRYQDGPA-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](CC[C@H]1C[C@H]1C)NCCC	2215301687	OJDSMESJLHWCNT-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCn1ccc2ccc(Cl)cc21	2215346011	NPUSUSICDDJIPL-YPMHNXCESA-N	247.769	4.731	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC1(C)CC(C)(C)C1	2215400895	KXZXDRMNVZNJNM-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@]1(CN[C@@H](C)CC)C=CCCC1	2217125111	MTVYSGRAHAVTEY-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(C(C)C)C1CCCCC1	2217143069	YVONROIWSPAISG-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)(C)C(C)C)C(C)C	2217145600	REBOPXCTYYXRGK-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCC1([C@H](N)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218357650	HRURWEYYMIVNJX-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)c1cocc1C	2218722434	ARTDGWSSICCNFM-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C1CC(C2CC2)C1	2218732577	SCBDIZHBVKRQLP-OFLPRAFFSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC=Cc1ccccc1	2219082874	AFYGEQLJUWKPLO-IAGOWNOFSA-N	245.410	4.634	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](O)CCCCC1CC1	2220039656	RJRWFPNDLDBRDQ-DLBZAZTESA-N	246.394	4.512	0	10	BJAE	
CCC1CCC(CN[C@@]2(C)CC=C(C)CC2)CC1	2221606300	CUJBUBQPDIMNLM-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)C[C@@H]1CC=C(C)CC1	2221609145	GUMXDNPCUXMTSE-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
N[C@H](CCC[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1	2222932900	IOIZPKBALFWCMA-YQFWSFKMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(N)(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2222949344	ORMPOZWGBALGTN-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
Cc1cn(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1C	2222978336	AKHJIILTNWNEDU-IKGGRYGDSA-N	245.410	4.711	0	10	BJAE	
CCCC[C@]1(CNC2CCC2)CC12CCCCC2	2223570104	XIDOKMYTOICGQZ-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC[C@H]1CCC[C@@H](C)C1	2246724574	DPWGNTGJIFRDTF-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CC[C@@H]1CCC[C@H](C)C1	2246728603	SZDQRGGXDZATCJ-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)CC2(CC(C)C2)C1	2246808775	NLWZLDLMOFZMAY-PYEOEOCKSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCCC[C@@H]1C[C@@H]1C	2247159485	NMAJNRLPVFUJPQ-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC[C@@H]1CCCC12CC2	2247610992	QNRQXXKDFSACLV-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC[C@H]1CCCC12CC2	2247620733	VMHYQDAJCJPZHF-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC1CC(O)(CC[C@H](C)CCCC(C)C)C1	2250491055	MXXGJDUYFDSFCQ-QQFBHYJXSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@@H](N)CC1CC(CC(C)(C)C)C1	2251492748	NOUPBQKSGFYQQH-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)CC(C)(C)CCC1(C)C	2251658951	JWOWEQFCHXVTKP-HEHGZKQESA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](O)(CC1(C)CC(C)C1)c1ccccc1	2253693220	DYBVREUFDNAFAW-BDVYOWHSSA-N	246.394	4.501	0	10	BJAE	
C[C@H](NC1CC1)[C@H](C)CC[C@H]1CCCCC12CC2	2253803594	FTNPEZUTCQCYRV-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(CC2CC3(CCCC3)C2)C1	2254106134	IBBRHFOJPSLXBE-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)C12CCC(CC1)C2(C)C	2254915168	MEAHEBIOTXLMEZ-UIORMTCPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](Nc1cc(C2CC2)ccc1F)C1CC1	2259126286	MLCQRTXIOJWWTO-OAHLLOKOSA-N	247.357	4.694	0	10	BJAE	
CCC[C@@H](CC)CNCc1cc(C)cc(C)c1C	2259469185	GGXPCOXGFFCZBC-MRXNPFEDSA-N	247.426	4.528	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@@]12CCCC[C@H]1CC2	2260525052	RKYQOQWNXSMGDY-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@]12CCC[C@H]1CC2)C1(CC)CC1	2260606211	QFMPIBAXODUUIA-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)c2cccc(C3CCCC3)c2)CCC1	2260668818	OCOVVGBPMBURAM-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)C[C@@]12CCC[C@@H]1CC2	2298707731	VYOKEPROQXZVHW-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@](C)(O)CCCC(C)C)CCC1	2300473664	ARGAOKJAJDCMIL-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C1(C(C)C)CC1	2300673797	MRUUNCYUOQGZOP-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1CCC[C@H](C)CC1	2300684208	RLBBGWBOAGNRBH-HOCLYGCPSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C)[C@@H](C)C(C)C	2301825858	ONXOOSYYJQDCPA-XQLPTFJDSA-N	238.415	4.700	0	10	BJAE	
CCC1(C[C@H](O)CCC2=CCCCC2)CCC1	2301953105	NGYPDYIEURAAJL-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C[C@@H](O)CC1CCCCC1	2301959138	QRAYFKAIPLOTEV-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@H](C)[C@@H](C)C(C)C	2301984190	PEFBRTDWZGLTFO-XHSDSOJGSA-N	241.463	4.958	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCCCCC[C@@H]2O)C1	2302675893	POXHFFTVTRNRGP-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C[C@H]1CCC(C)(C)C1)NCC	2302676086	RHMBNDRWSBWYLC-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
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CCC[C@@H](CC)C[C@@](N)(CC)C1CCCCC1	2307816346	DFHXIKGQAHIERE-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CCC)CCCCCN1	2307819425	LMIHWZUGDBHOIA-HOTGVXAUSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](N)c1ccccc1C	2307900259	UQTXTJKFVCVKMZ-GDBMZVCRSA-N	233.399	4.601	0	10	BJAE	
CCCCC[C@@H](NC1[C@@H](C)[C@@H]1C)c1ccccc1	2310129803	FXVSXSRTMWDKPK-OFQRWUPVSA-N	245.410	4.552	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@@]12CCCC[C@@H]1C2	2311145098	UEWWWPVVTWPGFC-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(C[C@@]23CCCC[C@@H]2C3)C1	2311146840	XGANCKAABUBWJV-HZMVEIRTSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCCC1	2311609483	CVNZCQRLYBXFPE-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@H](C)NCC=C(C)C2CC2)CC1	2315274371	WCHLQQPNUMZHLD-UQPPLGOBSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@H]1CCc2cc(C)ccc2N1	2316271723	UHRIBEMIGGPPMK-INIZCTEOSA-N	245.410	4.938	0	10	BJAE	
O=C(CC1CCCCCC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2317003302	UPWLZVJBNOPLOT-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC[C@@H]1C[C@H]2C=C[C@H]1CCC2)NC	2317153978	DBWLXJXXOSCNKH-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1C[C@@H]1Cn1c(C)cc2cc(F)ccc21	2317530715	WHEFVXADDMTWFT-GXTWGEPZSA-N	245.341	4.525	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@H]1CCC1(C)C	2317903190	CISTZOSLZNYXPV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CCCC1=CCCCC1	2318551039	LWPJRTVSOCTEQL-DLBZAZTESA-N	249.442	4.955	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1[C@H](N)CCCC1=CCCCC1	2318566235	VPJYNBXFWGQFDK-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@@H]1CCC=CCCC1	2318886230	USKYVFHLCMZBSU-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CCC[C@H]1C[C@H]1C	2318935064	BZPCTHCODSBTLV-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(CN)CCCC23CCC3)C1	2319040452	XGUYVGAQNRUITM-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc2c(ccn2C[C@@H]2CCC(C)(C)C2)c1	2319141108	NOXAUPRGRXPXNG-CQSZACIVSA-N	241.378	4.776	0	10	BJAE	
CC[C@H](O)CC[C@@H](c1ccccc1)C1CCCC1	2319670539	UHBZUBXAMQJMEG-IRXDYDNUSA-N	246.394	4.512	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1[C@H](N)C[C@H]1C=CCCCC1	2320220384	XVABSMSMSPUROZ-CAOSSQGBSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(N)C=CCCC1(C)C	2320254281	JHSJEOSYKSKOOS-JJRVBVJISA-N	249.442	4.523	0	10	BJAE	
CCc1ccc(OC[C@H]2CC[C@H]2C(C)(C)C)cc1	2320255690	XFAWFVCRYOFQFV-GDBMZVCRSA-N	246.394	4.700	0	10	BJAE	
CC[C@@]1(C)CCCN(C[C@H]2CCC(C)=C(C)C2)C1	2320345782	BIKNPHACVGCZRA-IRXDYDNUSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2320397121	HBOIGFNVJUBUNO-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2CCCNC23CCC3)C1	2321629665	ABWSIJQXEMUMKF-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CC[C@@H]3CCC[C@H]32)C1	2321646051	UCGWUANKYKZGAF-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccccc1C	20520130	ZMFBMWAPLYDVGM-AWEZNQCLSA-N	219.372	4.766	0	10	BJAE	
CCC[C@H](NCC)c1ccc([C@H](C)CC)cc1	35544102	KEBUTLRADAAWMU-CJNGLKHVSA-N	233.399	4.651	0	10	BJAE	
CC(=O)c1ccc(-c2ccc(C(C)C)cc2)s1	36927439	VSMBWDUOOZWUGE-UHFFFAOYSA-N	244.359	4.741	0	10	BJAE	
CCC[C@@H](C)Nc1ccc([C@@H](C)CC)cc1	36953532	XODDYRASZGHVLE-QWHCGFSZSA-N	219.372	4.801	0	10	BJAE	
CCC[C@@H](C)CN[C@H](c1ccccc1)C(C)(C)C	36994496	RMGMBRDWJSEPDB-GDBMZVCRSA-N	247.426	4.800	0	10	BJAE	
CC[C@H](C)N[C@@H](CC(C)(C)C)c1ccccc1	37128546	JGTALXWAFKYOCC-ZFWWWQNUSA-N	233.399	4.552	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1	70558325	UCMDCBUAQUTMTM-FZMZJTMJSA-N	237.774	4.721	0	10	BJAE	
CCCCC[C@H]1CCCC[C@H](NCCC)C1	70746198	MXIHRPGDOWZSDJ-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](NC2CCCCCCC2)[C@H](C)C1	78462368	KAFGSGLFTFIQMM-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)C[C@@H](C)NCC	82810583	WRYCZDVAGKIJKR-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
O=C(O)C(F)=C1CCCCCCCCCCC1	94064624	KKBVJLUBVFLZGI-UHFFFAOYSA-N	242.334	4.599	0	10	BJAE	
CCCCCC[C@H](NC)c1cc(C)ccc1C	97468202	GOQPYQJAKGCZST-INIZCTEOSA-N	233.399	4.534	0	10	BJAE	
CC(C)C[C@H](N[C@@H]1CCC[C@@H]1C)c1ccccc1	109964020	OIFLEBZDVFQJDM-UAGQMJEPSA-N	245.410	4.552	0	10	BJAE	
Cc1cc(C)c([C@H](O)C[C@@H](C)C(C)(C)C)cc1C	125398740	XBUKLMKVPPRALC-GDBMZVCRSA-N	248.410	4.718	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)c1cc(C)cc(C)c1	132592881	LHNCOUZVMUUDGJ-ZBFHGGJFSA-N	233.399	4.533	0	10	BJAE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1NC1CCCCCC1	136391238	VFOJTEXOCPJZRX-JLJPHGGASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)c1cc(O)cc(C2CCCC2)c1	142787415	CEAYTTSJSIVMAG-LLVKDONJSA-N	218.340	4.563	0	10	BJAE	
CC[C@@H](C)c1cccc(OCc2ccccc2)c1	149793654	JPQMUTDOUNURTN-CQSZACIVSA-N	240.346	4.779	0	10	BJAE	
CC[C@H](C)C[C@@H]1CCCC[C@@H]1CNC(C)(C)C	155672315	URNNNZULUSXFSK-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H]1CCCCC[C@H]1CNC(C)(C)C	155856609	FVFWPGSUJFFNQP-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCc1ccc(N[C@H]2CCC[C@H]2CC)cc1	163771255	HDWLQVMCLTZLFR-ZBFHGGJFSA-N	231.383	4.630	0	10	BJAE	
Cc1ccc(-c2cc(C)c(Cl)cc2C)c(N)c1	164298950	UZEQHGKDAYLHGC-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
Cc1ccc2ccn(C/C=C/c3ccccc3)c2c1	166385988	GPTOBHQLOUOPLK-VMPITWQZSA-N	247.341	4.663	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccc(C(C)(C)C)cc1	167621872	NJSZPIMWUBIWFT-MRXNPFEDSA-N	248.410	4.844	0	10	BJAE	
CC(C)Oc1ccc(C(C)C)c(C(C)C)c1	201578105	ISBXUEBHMKXHLP-UHFFFAOYSA-N	220.356	4.721	0	10	BJAE	
CCC1CCC([C@@H](O)c2c(C)cccc2C)CC1	215915331	GDOHJEJXFLSACC-VMBOVVBDSA-N	246.394	4.553	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@H]2CCC[C@H]2C)c1	226800648	YEYHPJDHMJBYGW-CJNGLKHVSA-N	244.378	4.504	0	10	BJAE	
CC(C)CCCC(=O)CC1CCCCCC1	229450214	UKAGUFXPAHBOGL-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCCC[C@]1(N)CCC[C@@H](C(C)C)C1	231014305	ABWSDMKSWIDCCP-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CCCCCCNC[C@H](c1ccccc1)C(C)C	232958822	GFMSJQMBFRFJPH-KRWDZBQOSA-N	247.426	4.596	0	10	BJAE	
CCC[C@H](C)[C@H](CNC)c1ccc(C(C)C)cc1	233346184	XZZJGHCVYTYVDN-YOEHRIQHSA-N	247.426	4.549	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2cc(C)cc(F)c2)C1	235394524	VVFBHPJVRYNFRI-FZMZJTMJSA-N	247.357	4.538	0	10	BJAE	
Cc1cc(C)c([C@H](O)C2(C)CCCCC2)cc1C	235909039	NPLDAXIFUQQWQZ-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
CC(C)C[C@@H](C)CNc1ccc(F)c(Cl)c1	300871775	HRSOEZKXPBIGKF-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CCCCCC[C@H](CCCC(C)(C)C)NC	300887073	PGNUJVFZHKHUGK-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CCCC(C)(C)CC1	302464866	YWKMZFAHUPOSCO-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(F)ccc1NC(C1CCC1)C1CCC1	302586727	FNLMJUOZGWPSKS-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC1CCCCC1)NC	305952420	DBLNZTWWNLNCMM-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC(C)(C)C)c(C)c1	305961274	WUZJDVNRAGPJLV-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1ccc(C)cc1C	308114894	TUKBWTWUUVWNEL-OAHLLOKOSA-N	246.394	4.949	0	10	BJAE	
CCCCCCC(=O)C[C@H]1CCC[C@H](C)C1	309436559	KNSWVLRQXOXPDN-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
Cc1cccc(N[C@H]2C=CCCCCC2)c1C	310075630	TZDNSTXZLXJSKH-HNNXBMFYSA-N	229.367	4.604	0	10	BJAE	
CCN[C@H](CC)CCC[C@@H](C)C1CCCCC1	380036103	QMMMWSHWFXCTIA-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCC(=O)c1cccc(F)c1	383136411	LMZHIJHRPJGTMM-UHFFFAOYSA-N	236.330	4.615	0	10	BJAE	
CC(C)CCCCC[C@H](N)CCC(C)(C)C	383199442	YSIYCDQSZYBXTO-AWEZNQCLSA-N	227.436	4.747	0	10	BJAE	
CC/C(C)=C/C(=C/c1ccccc1O)CC	383710014	IDKSBYPQOJXTNP-DCIPZJNNSA-N	216.324	4.542	0	10	BJAE	
C[C@H]1CCCC[C@]1(O)C[C@@H](C)C1CCCCC1	383846272	LCWARHOFXREHME-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1CCCC[C@@H]1C	384521947	KFFBRLMMXSIBKT-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccccc1[C@H](N)C(C(C)C)C(C)C	384636754	KXIHEWKHVMAHCH-KRWDZBQOSA-N	247.426	4.567	0	10	BJAE	
CN[C@@H](C[C@H](C)C1CCCCC1)c1ccccc1	386766082	HRVNPALSHBGDPW-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
CCC(CC)(CC)CNC1[C@H](C)CCC[C@H]1C	391189106	USHKQLWYTWBTRA-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CC2CCC1CC2	394741388	MWVLPNWKXWJSOT-UYSNPLJNSA-N	238.415	4.534	0	10	BJAE	
CSc1ccccc1NC[C@H]1CCCC[C@@H]1C	394877521	GBOCZLLGQGFZAA-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CCc1cc(CC)c2sc(C(F)F)cc2c1	396165674	FKAWYKYQASDHRP-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCOc1c(C(F)F)cc2sccc2c1C	396249242	RQVNKXBVPDYCJC-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCCNC[C@]1(CC2=CCCC2)CCC[C@H](C)C1	401080791	OFBWYPUWRDWZFK-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCC[C@@H](C(C)C)C1	688450147	LQCYIGWIQJRVPC-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC(C)(C)C(C)C	691096690	CDMGUGUUFVAMOA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](NCCCC2CCCCC2)C1	694053687	PFTYWYHKZJRJFU-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CCC12CCCC2	694421092	VTGPEMWONRHCTI-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
CC(C)(C)c1cc(Cl)cc(CC2CC2)c1	694972699	JMBRUHAPMBOSQY-UHFFFAOYSA-N	222.759	4.590	0	10	BJAE	
CCCc1ccc([C@@H](C)NCC[C@@H](C)CC)cc1	696175490	PYBPCYJLHIBYSJ-LSDHHAIUSA-N	247.426	4.726	0	10	BJAE	
CCC(C)(C)CCNc1cc(C)cc(C)c1	696702971	FRDNREMBOFAOGE-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
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C[C@H]1CCC[C@@H]1C(=O)c1ccc2sccc2c1	700860028	FKTSAIRACLOEQH-GWCFXTLKSA-N	244.359	4.520	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@]1(C)CC1(C)C	702113875	LPCDAFWWNCCIMN-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@]2(C)CC2(C)C)c1C	702140522	FFSSREYKHGNLGI-QGZVFWFLSA-N	244.378	4.539	0	10	BJAE	
CCCC[C@@](C)(N)CCCCCC(C)C	704848277	CQRJVBFKUHBSPM-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(N)CCC(C)(C)C	704857299	WCAHWQPAGRJVIL-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
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CCCC[C@H](CC)C[C@H](N)[C@@H](C)CC(C)(C)C	708318412	GRKBKOLDFXEGLX-KKUMJFAQSA-N	241.463	4.993	0	10	BJAE	
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CCCC[C@](N)(CC)C[C@@H](C)CC(C)(C)C	709078722	KZLRZXPNJJHRLE-DZGCQCFKSA-N	227.436	4.747	0	10	BJAE	
CCCC(=N)Nc1cccc(-c2ccccc2)c1	709761322	UCPCUEBYSRLLCK-UHFFFAOYSA-N	238.334	4.543	0	10	BJAE	
Cc1cc(N[C@H](C)[C@H]2CC3CCC2CC3)cs1	710712366	ZWIJDVXTTRQWDK-XZNOPERXSA-N	249.423	4.683	0	10	BJAE	
Cc1cc(NC2CCC3(CCCC3)CC2)cs1	710728954	MMVFARNFWAHCHE-UHFFFAOYSA-N	249.423	4.971	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC(C)(C)CC)NC	711250614	AJNBWILHHCZJSX-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC(C)(C)C(C)C	713142210	HSZNTNVGQDYKTE-HUUCEWRRSA-N	241.463	4.848	0	10	BJAE	
CC(C)(C)C[C@H](O)C1CCC(C(C)(C)C)CC1	713185052	BOQAXRZOPXELFS-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)CC(C)(C)C(C)C	713210802	HXYKURTZSPYFLO-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@H](C)CC(C)(C)C	713233288	MMQWMYBRTVCOOL-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C[C@H](C)C(C)(C)C	718573857	RBXOWDGOLBDOQD-KBPBESRZSA-N	225.420	4.523	0	10	BJAE	
CC(C)=C(C)CCc1ccc(C)cc1Cl	718688584	FFJPNIQUXVJSFM-UHFFFAOYSA-N	222.759	4.937	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccccc1C(C)C	721675499	QRAHDFYUSPWNOB-OAHLLOKOSA-N	234.383	4.670	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C(C)(CC)CC	721773460	QTLFWRKFWIPQKR-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCCC1CCC(N)(C[C@H]2C[C@H]2CC)CC1	723131542	RBHDBVWLAOPWRX-LVDPKSTMSA-N	237.431	4.501	0	10	BJAE	
CCc1ccc(Cl)c(OC2CCCCC2)c1	829086133	NGPNOBFLWTYANO-UHFFFAOYSA-N	238.758	4.614	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Sc1ccc(F)cc1F	1188500668	HNRYQOVIDPTWMO-BXKDBHETSA-N	242.334	4.636	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCC(C)(C)C[C@H]1C	1308921135	HPVLFOUZZQUYAA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@@H](C1CCCC1)C1CCC1	1560900702	GYVQACHMGUWSSM-GUYCJALGSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCCN2CCCC[C@H]2C2CCC2)C1	1619799827	QXFORNDNFCPDCJ-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
C/C(=C\Cl)CSC[C@H](C)CC(C)C	1652796856	HAUPTYJSUWDMHZ-VUUNSECVSA-N	220.809	4.544	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CSc1ccccc1	1656053274	BZVWIYCZRHWFBD-QWHCGFSZSA-N	220.381	4.605	0	10	BJAE	
C[C@@H](CCC1(N)CCCCC1)CC(C)(C)C	1902146838	CVVVJLGJQRKSQE-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCc1cscc1NC1CC(C(C)(C)C)C1	1902381358	MOTUWGXCZSQYKR-UHFFFAOYSA-N	237.412	4.547	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)CCC1CCCC1	1905444242	LGYRSCQMWDQYLJ-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](C)NCC[C@@]12CCC[C@@H]1C2	1908419066	ZIHKRGIQFDNAHL-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)C1CCCCCCC1	1908551646	HIVPOJIIQFHBEH-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC=CC[C@@H](CCC)c1ccccc1	1911907967	CKJYVWUWPPHECC-CQSZACIVSA-N	202.341	4.927	0	10	BJAE	
CCCC=CCNc1cccc(SCC)c1	1914675968	OXMCQSVZLFBCMD-UHFFFAOYSA-N	235.396	4.567	0	10	BJAE	
CC[C@H](N[C@@H]1CCC2(CCCC2)C1)[C@@H]1CC1(C)C	1916492519	JJHIXYYPYJTYCG-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)[C@@](C)(O)c1ccc(C(C)(C)C)cc1	1919632037	UZQMATMSNYMYCQ-CXAGYDPISA-N	248.410	4.628	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H](C)CC(C)(C)C)C1	1921302973	ZCXXQJOOGIBPTJ-IYXRBSQSSA-N	238.415	4.844	0	10	BJAE	
C[C@](CNC1CC1)(CC1CCCC1)C1CCCC1	1924088517	FMZGJIBFTZDSLK-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@](C)(C[C@H](C)CC)C1CCCCC1	1924117001	VDNHYRAWVAOOPO-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(C)Oc1cccc(C[C@H]2C=CCCCC2)c1	1925843312	JEHFKKKDGJMGJK-HNNXBMFYSA-N	244.378	4.763	0	10	BJAE	
CCC(CC)CCNC[C@@H](C)C1CCCCC1	1926160422	YFBQKJIPEMAWQH-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1cnc(C2C[C@H](C)C[C@@H](C)C2)s1	1937458856	QSKSTTTVZMDMID-GHMZBOCLSA-N	237.412	4.806	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1sccc1CC	1938204494	FTVJCCKKNMKSBL-DGCLKSJQSA-N	239.428	4.527	0	10	BJAE	
CC(C)[C@@H](C)NC1CCCCCCCCC1	1938721774	GRIQEAHJBHCMIP-CQSZACIVSA-N	225.420	4.514	0	10	BJAE	
CCC[C@@H](C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)C	1941265590	XAKUPXPUSSIGJF-CBBWQLFWSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)CCCC1CCC1	1941463911	JXQZORWEAPXCQR-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CCC1CCC1)CC1CCCCC1	1941475067	QUDWBZBXWNPEGV-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
NCC1(CCCCCC2CC2)CCCCCC1	1941580731	CTQMDDJQVJZTQJ-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@H](C)CCC(C)C)CC1	1942656655	DLFAWCSMBZCWRX-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@@]12CCCC[C@H]1CCC2	1944140984	HMFFAPVEPVCUTL-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC1C[C@@H](C)C[C@H](C)C1	1944647067	RPUCTNKZXJVRBM-STQMWFEESA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC1CCCCCC1	1947453458	PKMTXQHLFUVQCE-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@H](C)CC1	1947466930	KEIUTYMYTVUYNS-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
C=CC=CCC[C@@H](N)c1ccc(C(C)(C)C)s1	1949010044	GZGOQXMCQOAHJM-GFCCVEGCSA-N	249.423	4.568	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CCC(C)(C)C1CC1	1949035573	UXAUBNLDQYAZPA-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](O)[C@H]1CCC2(CCCC2)C1	1949453799	SFSHVNYDXZCIQL-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CCC1(CO)CC(C)(C)C1	1950370690	FERBUHYGKDWKQY-AWEZNQCLSA-N	240.431	4.782	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@H]1CC12CCCCC2	1950663185	XPIZOALZFVQXBE-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC12CCC(CC1)C2)NCC	1950955671	ROGFBQRSSYZOQY-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CCc1csc(C(F)F)c1	1959993211	WZNXDCCJAJTUQR-UHFFFAOYSA-N	230.323	4.975	0	10	BJAE	
CCN(CC1C[C@@H](C)C[C@H](C)C1)c1ccccc1	1964100820	BXMURJURZQMSCU-GJZGRUSLSA-N	245.410	4.585	0	10	BJAE	
CCC1(C)CCC(NC[C@]2(C)C=CCCC2)CC1	1967837153	NAPSPYNECPHHIG-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H](C)C(C)C	1968350423	SLLBSIDGINRWSV-CQSZACIVSA-N	234.383	4.789	0	10	BJAE	
CCCC(C)(C)CNCc1cc(C)c(C)cc1C	1973170875	MEQIRMYKIZATSI-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
CCCC(C)(C)CNCCCCCC(C)C	1976009425	YAJMEWWZTQPVNP-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(N)CCCCCCCC1	1980334600	QDTILBAMBFLIAN-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](CCC(C)C)NCCC	1984638030	DDJANIJCSXDIQF-ZKKXHLJNSA-N	225.420	4.537	0	10	BJAE	
CCCCCc1ccc([C@@H](O)CC(C)C)s1	1991772033	NPNFYVOVHMDASN-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1(C)CCC1	1995215365	UWHTZXVWVNHCFN-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](NC)[C@@H]1CCCC2(CCCCC2)C1	1996647323	KZGGNAMUUDNBSR-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C(C)(CC)CC)CC1	1997118713	ZMBONUJMLXCPRJ-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@](N)([C@H]1CCCC(C)(C)C1)C(C)(C)C	2000058492	NWIAUUSSTKMVRM-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)CC1(O)CCC2(CCCCC2)CC1	2000280479	NJPLZWHYLLGQIE-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCC23CCC3)c(C)s1	2001850188	DGQBZWSSDFYBOB-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@@H]1CCCC(C)(C)C1	2002974160	MKKVGOPTGOJWSD-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCCCN(C)[C@@H](C)[C@@H]1CCCC(C)(C)C1	2002981682	DFSBPACKODHBED-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N(C)CCC(C)(C)C)C1	2002986158	VXDMWWRGHNPNJR-KFWWJZLASA-N	239.447	4.569	0	10	BJAE	
CC1(C[C@@H]2CCCCCCC[C@@H]2N)CCCC1	2003116932	LZMBSUDUSKBHKI-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C1(C)CCCCCC1	2004230519	XWMJJBDIVWNQLR-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC1(CC)CCC(N)(C2=CCCCC2)CC1	2004347079	QBHFVZPNCQGNMR-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
C=CC=CCCC1(N)CCC(CC)(CC)CC1	2004347585	WIGLBKDVPBLZNL-UHFFFAOYSA-N	235.415	4.587	0	10	BJAE	
C[C@H](NCC1(C)CCCCCC1)C1(C)CCC1	2004823985	XJYCWSIJXQWXIT-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H](C)C(C)(F)F)cc1	2009079599	XIGPNRJQLCJSEZ-MNOVXSKESA-N	241.325	4.656	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)C1=CC[C@H](CC)CC1	2010714038	GNIZTAMUWDXZRA-DZKIICNBSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H](CC)CC(C)C)CC1	2010749026	PUUOUBRCVTVELW-IIAWOOMASA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC[C@]12CCC[C@H]1C2)NCCC	2011002512	SSSYMGZVNOTBDN-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1cccc(CC2CC(=C3CC3)C2)c1	2011085295	NRRVWTDSYGQGOQ-UHFFFAOYSA-N	226.363	4.853	0	10	BJAE	
CCCCC(C)(C)NCC(C)(C)C1CCCC1	2013529189	UBMDDXOEJFICFF-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1cc(C)c(C)o1	2015323719	SXGWXVBKUUMSPQ-UONOGXRCSA-N	238.371	4.536	0	10	BJAE	
CC(C)C(CC[C@]1(O)CCCC[C@H]1C)C(C)C	2015333218	BWFYAIQICYZNAO-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1cccc2ccsc12	2015383024	IIKLBNQZTRNXBX-NSHDSACASA-N	246.375	4.766	0	10	BJAE	
C[C@H](CC(=O)C1(CC2CCC2)CC1)C(C)(C)C	2015788566	PMGHKTRGRPVGMQ-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](NC)C(C)(C)CC)CC1	2017657124	BVLMJVWVNXUNFE-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@H](NC)C(C)(C)CC)CC1	2017725084	QEKSUDLQNKRZCL-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)NCCC[C@H]1CC1(C)C	2018131748	PSMIYVFDNFWENE-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@@]2(O)CCCCC[C@@H]2CC)CC1	2018965441	QYTLBXQMOVVCOI-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CCCC(C)(C)C2)CC1	2018970193	NHENYCMZCWYPAA-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(N(C)[C@H](C)[C@H](C)CC)CC1	2019386187	RWKJHIOTMAXGMX-WXLSXGNJSA-N	239.447	4.712	0	10	BJAE	
CCCCN(C1CCCCCC1)[C@@H](C)C(C)C	2020506909	YFQJMLBCYWYDCJ-HNNXBMFYSA-N	239.447	4.856	0	10	BJAE	
CC(F)(F)CCCCC(=O)CC1=CCCCC1	2023331119	IWOFGXBNSKEYMQ-UHFFFAOYSA-N	244.325	4.662	0	10	BJAE	
CC1(C)CCC[C@H](CCC[C@H](N)C(C)(C)C)C1	2024092442	RCVHMUQTOVAQHQ-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCC[C@H](O)C2)C1	2024115823	FXMACYLOQRZKCK-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C)[C@@H]1CCCC(C)C	2024511278	SQWZCKAJBAHRKS-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CC[C@](N)(CCC2CCCCC2)C1	2025627093	HNFGJQQBCXCAJY-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)Cc1coc2c(C)c(C)cc(C)c12	2026534379	WSKLXZFBIGFDLX-SNVBAGLBSA-N	230.351	4.947	0	10	BJAE	
CC(C)c1ccccc1CNC1(C)CCCCC1	2027464299	YKSAKFXGKDIURL-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
CC[C@H](C(=O)CC(C)(C)c1ccccc1)C(C)C	2028262616	KJAINFAEWPTYTI-HNNXBMFYSA-N	246.394	4.606	0	10	BJAE	
CCC[C@H](c1nc2c([nH]1)[C@H](C)C[C@@H](C)C2)C(C)C	2028264776	QBOKVNGZIJJEOO-UPJWGTAASA-N	248.414	4.635	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)c1ccccc1C1CC1	2028575592	FJHVBGCWPUOAQE-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)C2(C)CC(C)C2)cc1	2029104362	IOGGWQIVTSHBOV-OYUHZNFDSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CCC[C@@H]1NC[C@]12CCCC[C@@H]1CCC2	2031808367	KXLPOMHSYDTDNR-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C2(N)CCC3(CCC3)CC2)C[C@H](C)C1	2032253579	WBEAVRIZINSQAY-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
OC1(C2=CCCCCCC2)CCC2(CCC2)CC1	2032255308	MIKXKPIRAQJSSE-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@H]3CCCC[C@H]32)c1	2034264608	RFAVFXQNXBIYHX-DJIMGWMZSA-N	243.394	4.684	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2034573089	ZXKGLGPADJIYGW-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H]1CCCC12CCCC2	2035402235	CAIKMVICLQGKGL-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(C)c([C@H](N)C[C@@H](C)CC(C)C)cc1C	2037107036	UDAJPVPUQFYHDE-YVEFUNNKSA-N	247.426	4.684	0	10	BJAE	
C[C@H](CC1(N)CCC(C2CCC2)CC1)C1CCC1	2037167691	ZTLWTCBGAGSSKL-NVPAJSRCSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CC(C)C)c1nc2c([nH]1)[C@@H](C)CC[C@H]2C	2038007937	TXIVLRBZTRUVLM-FRRDWIJNSA-N	248.414	4.950	0	10	BJAE	
NCC1(CC2CC3(CCC3)C2)CCCCCCC1	2038080125	CZQQSCKGIRTFFI-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CCC1CCCCC1	2039436501	PXRQNSQTWJMYQO-UAGQMJEPSA-N	249.442	4.667	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1ccc(C)cc1C	2039446298	GDFVYMXQELIZRM-HOCLYGCPSA-N	243.394	4.708	0	10	BJAE	
Cc1ccc(N[C@@H](C)C23CCC(CC2)C3)cc1C	2039860669	XRXXALSPFSXHOW-UQPPLGOBSA-N	243.394	4.684	0	10	BJAE	
N[C@]1(C[C@H]2CCC=CCCC2)CCCC2(CC2)C1	2045305453	PHFRIDUGHXGXCR-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)[C@H](NC[C@@H]1CCC=CCCC1)C1CC1	2045318800	YROJMPCZQDGCJY-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](c1ccoc1)[C@@H]1CCCC(C)(C)C1	2045395945	BYRAPEONKBDVDO-UKRRQHHQSA-N	249.398	4.537	0	10	BJAE	
CCCC1(C(=O)C[C@H]2C[C@H]3C=C[C@H]2CC3)CCC1	2045565475	WUALPXREGUCWQQ-SOUVJXGZSA-N	246.394	4.518	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H](C)c1ccccc1	2045596050	LZOBKHIXTWAPDB-CQSZACIVSA-N	246.394	4.966	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@H]1CC(C)=C[C@@H](C)C1	2045759517	XPXZONQXRXVTEX-KBRIMQKVSA-N	249.442	4.537	0	10	BJAE	
CCN(C[C@@H]1CCC=CCCC1)c1ccccc1	2046559653	HSGRBHCPXYULPT-MRXNPFEDSA-N	243.394	4.649	0	10	BJAE	
O=C(CC[C@@H]1CC12CCCC2)CC1CCCCC1	2047025519	CCNDSNKFJUUWLS-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CC23CCCC3)CC1	2047066193	TYRIVSGGPWXLCZ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2047437947	PNCUDLUZPVXLNM-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
N[C@H](CC1CCCCC1)CC1[C@@H]2CCCCC[C@@H]12	2048454392	WDIUKJWTXJEWHD-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C(=O)c2ccccc2C(C)(C)C)C1	2048621887	QQPSTEXGADBUAB-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@@H]2C=CCCCCC2)C1	2049562347	XGVYRWANZODFHZ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(F)c(C(=O)CC2(C)CCCC2)cc1C	2049789859	BQASRWQZNONKBT-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
Cc1ccc([C@@H](O)CC[C@H]2C=CCCCC2)cc1	2050441255	LMQNVRPCDOOQDV-RDJZCZTQSA-N	244.378	4.555	0	10	BJAE	
C=CC=CCCN1CCCC[C@H]1C1CCCCC1	2051678312	PNZFJJDPBWOYCB-KRWDZBQOSA-N	247.426	4.554	0	10	BJAE	
CCC1(C)CC(N[C@H](C2CCCCC2)C2CC2)C1	2058832489	ZWWYOFXABIIXNM-AQFXKWCLSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1)C1CC1	2061088495	NGMVBZPKPMQGIB-WQVCFCJDSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@]23CCC[C@H]2C3)c1	2061607471	QWEKDUNANJRQLV-RDJZCZTQSA-N	242.362	4.573	0	10	BJAE	
C[C@](N)(CC1CC(=C2CCC2)C1)C1CCCCC1	2061700687	CQRVUNVPCKSCKE-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC1(C)C[C@@H](N)C[C@H](CC23CCC(CC2)CC3)C1	2065339962	QSEYSACYFKTVRR-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CCCC2)[C@@H]1CCC1(C)C	2068344120	VBJLMWBJKLGMNI-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)C[C@@H]1CC12CCC2	2069174883	LXIZTYKWZZMNLY-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C[C@H]2CC23CCC3)CC1	2069175774	CRHWLEAUUORTBQ-GOEBONIOSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@]12CCC[C@H]1C2)C1(CC)CCCC1	2070862053	PQUDNXBLMULHMO-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)[C@@H]2CCCC23CC3)CCC1	2071951059	RRGBSTNCQORIOE-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@H]2CC=C(CC)[C@@H]2N)CC1	2072807753	ZIJSVCMLAYQDDL-MMADZMRASA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@@]23CCC[C@H]2C3)CC1	2072878768	PNTMAHJZZVBKDA-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CC[C@H]2CCN[C@H](C3CCC3)C2)CC1	2073791415	QZHKJXQIFVWZOG-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](N)C[C@]23CCCC[C@H]2C3)CC1	2074030353	SQPORCTZGPEWDP-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CCCCCN(CCCc1ccccc1)C(C)C	2074922156	MOALVIGFTLSTSY-UHFFFAOYSA-N	247.426	4.520	0	10	BJAE	
CCCC1CC(N(C)[C@H]2CCC23CCCCC3)C1	2075013790	XNJSWKKQMABBAR-GPANFISMSA-N	249.442	4.610	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H](C)c1ccccc1	2075153409	FRFVNQCYCCXEOD-INIZCTEOSA-N	247.426	4.896	0	10	BJAE	
C=C=CCC[C@]1(N)CCCC[C@H]1C1CCCCC1	2075828622	FBPKPFIKPUUFSV-IRXDYDNUSA-N	247.426	4.576	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1CC(C2CCC2)C1	2077196376	SQSOODUWPBKJLF-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C=C[C@H]1C[C@H]1C1CCCCCC1)CN	2079705264	GGYDZHRULIOYCF-PVAVHDDUSA-N	249.442	4.524	0	10	BJAE	
CCc1ccccc1[C@@H](C)Nc1cccc(F)c1	2081213416	AAUCDDUJECJPNG-GFCCVEGCSA-N	243.325	4.561	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CNC(C)(C)C)[C@H]1C=CCC1	2081682145	OBQVPPFDKYBBNV-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC(=C[C@H]1CCC=CCCC1)[C@H]1CC[C@@H](N)CC1	2082132459	DYZQPVCRTURUEK-YESZJQIVSA-N	247.426	4.587	0	10	BJAE	
CC=C(CC)c1cc(F)ccc1[C@@H](C)NCCC	2084708642	BYXLNLFGUUODQT-GFCCVEGCSA-N	249.373	4.700	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213270486	FNFKMQXZFOTTLM-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(C(=O)CCCCCCC2CC2)C1	2213583311	QOJXZQAFMLPKJS-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCNCC(CC)(CC)CCCCC1CC1	2214569264	MYWYMMZUXDFVRG-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@H]2CC[C@H]2C)CC1	2215091963	CUYFJYCGNVTVMK-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CC[C@@H]2C)CC1	2215105439	NVTIZILFBCLLPN-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
NC[C@@H]1CC[C@@H](CCCCCCCC2CC2)C1	2216890065	DZYUFPJRWHITQY-HZPDHXFCSA-N	237.431	4.502	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)CCC1CCCC1	2217151627	XEDJVTXOEJJCJR-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@]1(CNC2CCC2)CCCCC1(C)C	2217158143	YTWMJVNOQNWRFE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C(=O)C1	2218336647	XGKYRVGHQUQYOO-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)N1	2218369196	ZPBIIOQSTZUPFV-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC=Cc1ccccc1	2219081408	HWYAVDWIFDOWNW-UHFFFAOYSA-N	244.378	4.731	0	10	BJAE	
CN[C@H](CCCCC1CC1)c1cc(C)cc(C)c1	2220030475	MFAQJFAAVYCXDU-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H]1C[C@@H](C)c2ccccc2N1	2220901247	HPMZJDAGUGBFSM-KBXIAJHMSA-N	243.394	4.801	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@]1(C)CC=C(C)CC1	2221613895	SQQYPKZAVKGKBT-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
CC[C@H](NC[C@H]1CC=C(C)CC1)C1CCCCC1	2221618839	LMQFHMYVJRZDCZ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1ccc(C2CCC2)cc1	2223683317	HPMPDMLTLBTVEO-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](C)c1sccc1C	2244794265	CGPMTRBSDIUHIE-QWHCGFSZSA-N	239.428	4.533	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)CC1(C)CC(C)C1	2246540992	VXXBFYAGSQLUOZ-OGVSOVDVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC[C@@H]1C[C@@H]1C)[C@@H](C)CC	2247175204	IOVCTUVETXZOLH-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C[C@H]1CCC1(C)C	2247316680	ZCHWVPNERNQWOR-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NC(C(C)(C)C)C(C)(C)C	2247749983	CIHFQRSBIQAJOE-CHWSQXEVSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C1CC(C)(C)C1	2248809989	XFIVQFYYQIYWHO-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCCCCC[C@H]1C[C@H]1C)CC(C)C	2248812557	AVADAWABSMMWCV-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@H]1CCCC2(CC2)C1	2250360256	HAEASTAWGBZHDS-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC=C(CC)[C@@H](CCC1CC(C)C1)NCCC	2251757807	SFKVAVSVGBZJHV-ZBCRRDGASA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNc2ccc(CF)cc2)C1	2253971134	UAAUGAHETXGKCF-KBPBESRZSA-N	249.373	4.784	0	10	BJAE	
O=C1CCCCCC[C@H]1CC1CC2(CCCC2)C1	2254055650	MXXNEFNTXUEPCT-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)c1cccc(C2CC2)c1	2254963393	UJKYSZMGHDVKGE-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CC1=C(C)[C@H](NCCCCC[C@H]2C[C@@H]2C)CCC1	2257340113	MBMFYSJDJMZPCI-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
Fc1ccc(C2CC2)cc1NCC1=CCCCC1	2259112702	HWGQBJYJXBNVLO-UHFFFAOYSA-N	245.341	4.615	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)c1cc(C)c(C)cc1C	2259440802	IEHZIJVYQQPBMW-RDJZCZTQSA-N	247.426	4.699	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccc(CC(C)C)cc1	2259467037	UTOSUBNGSSLVMV-RDJZCZTQSA-N	247.426	4.711	0	10	BJAE	
CCC1(C[C@H](NC)[C@@]23CCCC[C@@H]2CC3)CCC1	2260486010	IKBTWEBHQSUHQU-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NC[C@]12CCC[C@H]1CC2)C1CCCC1	2260532338	DLTRGSLEQHPDPT-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(N)(C[C@]23CCC[C@H]2CC3)CC1(C)C	2260648593	SKPLHXZIHSZYNU-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2260677913	IAORXKGJSXURES-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)C[C@]12CCCC[C@H]1CC2	2260678184	JUUGGJVLJFNAQC-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CCNCC1(C[C@]23CCCC[C@@H]2CC3)CCCC1	2260678956	OHJSEOBEJQBKOO-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](CN1CCCCCC1(C)C)CC(C)(C)C	2298876964	VHBYTDGAXGIYJS-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@H]1CC[C@H](C)CC1	2300501672	QBLKHTSTBZQEDM-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CCC(C)(C)C1CC1	2300503844	RLQBHWBFXHMCMA-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](Nc1cc(C2CC2)ccc1Cl)C1CC1	2300674343	SPNQMZNKIVYYIF-AWEZNQCLSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CC(C)=C[C@H](C)C1	2300681541	PRJKOFMNMLVENL-MAZHCROVSA-N	237.431	4.523	0	10	BJAE	
CC(=CC[C@H]1CCC[C@H]1CN)CCCC(C)C	2300884214	POINZSMSNAPUKL-CVEARBPZSA-N	237.431	4.524	0	10	BJAE	
C[C@H]1C[C@H](C)C1C(=O)C1(C)CCCCCCC1	2301257426	ACXNOOZNXWKPRB-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N[C@@H](C)C1CCCCCC1	2301829169	NMRAPYKNQLTTCT-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)C1(C(C)(C)C)CCC1	2301954710	CHDCSANUUSJXHV-QWHCGFSZSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CCCC1=CCCCC1	2302343524	WTZMLZJLNOFYPQ-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CCCC1=CCCCC1	2302349993	WTZMLZJLNOFYPQ-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCC[C@@H]2C[C@@H]21	2302851256	BBLZMWUWMCLLAB-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H](C)c2csc(C)c2)CC1	2303455271	CSUPCMQASQNENR-HIFRSBDPSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H]2CCCC[C@@H]2C1=O	2307802250	VKCAWBZZOLFHNT-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(CC)CNCC(C)C	2307896652	WKWRZRKDMMAGKB-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1(C(C)(C)C)CCC1	2307898682	LZYKUYOEWPVUQB-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(CC(F)F)CCC1	2307899576	CDBQPGWTFJLSBZ-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1)C1CC1	2308400773	PKULOZLVTJMJEM-YLFCFFPRSA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCCNC[C@H]1C[C@@H]2CCCCCC[C@@H]21	2310192124	SCQHNYSZPUYUTE-RGZGLNSBSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1C)C1=CCCCCCC1	2310969992	AZSLHJGOQGGSBJ-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@@H]1C[C@H]1C(C)C	2311544410	HWEJPSSRTDBUND-JQFCIGGWSA-N	246.394	4.526	0	10	BJAE	
CCc1cc(C(=O)[C@@H]2CCC(C)(C)C2)ccc1C	2314714542	ZOHURCDYHPWOSH-OAHLLOKOSA-N	244.378	4.566	0	10	BJAE	
CC(=CCC(=O)[C@H]1C[C@@H]2C[C@@H]2C1)CCCC(C)C	2316534728	CKEQAFGZNQWJMG-MUJYYYPQSA-N	248.410	4.764	0	10	BJAE	
CCCCCC[C@@]1(CNC)C[C@H]2C=C[C@H]1CCC2	2316769551	JXFIOVMKKTVVFD-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@]12CCC[C@@H]1CC2	2316999325	SFNAHCZLKWYIJQ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(=O)CCCC(C)(C)Cc1ccccc1	2317221600	BOWBXDVSCACBGL-UHFFFAOYSA-N	246.394	4.651	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)C[C@@H](C)c1ccccc1	2317836107	SUJJTFMBKNCHDJ-ILXRZTDVSA-N	246.394	4.678	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@H]1C=CCCC1	2317907956	UUOLBVVNXDLTNB-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NCCCC1=CCCCC1	2318537378	AIBWXPHQKWXNRL-WBVHZDCISA-N	249.442	4.825	0	10	BJAE	
CC1(NCCCC2=CCCCC2)CCCCCC1	2318547044	YGWFRWOFDAUTDY-UHFFFAOYSA-N	249.442	4.970	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)C[C@H]2CC[C@H](C2)C1	2318556774	DLPZZJSHVJNJJP-BJWYYQGGSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CCCC2=CCCCC2)[C@@H]1C	2318566367	WVSBLLQUZOFCHN-BFYDXBDKSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@H]1CC12CCCC2	2318873693	BXVWCXWXSWLHKS-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C1=CCCCCCC1	2318874339	CVLUYNNNFRDHIA-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C[C@@H]2CC[C@H]2C2CC2)C1	2319578845	MLEPKVFSKHSBDC-INWMFGNUSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1Cn1ccc2ccccc21	2320324913	OJBGDRQGXULHRO-GJZGRUSLSA-N	241.378	4.714	0	10	BJAE	
CCC1(C[C@@H](O)c2cccc(C3CCC3)c2)CC1	2320649669	COKZGYWTNHIKDD-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
Cc1cccc(NCC[C@@H]2CCC(C)(C)C2)c1F	2321614750	YMQKHVOIPRXNIH-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)CCCC3(CC3)C2)C1	2321646346	WLYFQVRWVLEQKG-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@@H](C)NCCC2=CCCCC2)cc1	20545137	UFJHLTFCWAVKFV-OAHLLOKOSA-N	243.394	4.536	0	10	BJAE	
CCCCc1ccc(N[C@H](C)CCC)cc1	20553467	LEAJPLWNDSZSAA-CYBMUJFWSA-N	219.372	4.630	0	10	BJAE	
CC(C)(C)CCC(=O)[C@H]1CCCc2ccccc21	63157236	HCIPBENRFOKCEF-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
CCCCCCC(CC)(CC)CNC(C)C	71128053	SOOXMCKXKLZSMW-UHFFFAOYSA-N	227.436	4.761	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@H]1CCC[C@H](CC)C1	71156475	XYJVHHJNUIZHPM-DZKIICNBSA-N	249.398	4.537	0	10	BJAE	
CCCCCCNCc1csc2ccccc12	83377760	WMODYRHBERJZLT-UHFFFAOYSA-N	247.407	4.571	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C1CCC(C)CC1	85081080	YDTOWMUTDYFMBC-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1O[C@@H]1CCC[C@H](C)C1	85151594	KILSWEHVVBXSHC-UONOGXRCSA-N	232.367	4.768	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)C1CCC(C(C)C)CC1	87962119	BBHLFMHDOJIHHT-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](N)CC[C@H](C)c1c(C)c(C)cc(C)c1C	107657521	JGKLBDAHSWINDB-MEDUHNTESA-N	247.426	4.541	0	10	BJAE	
CCCC[C@@H]1CC[C@@H](C)c2ccccc21	111897864	ZAPFTEJQJIGRNN-CHWSQXEVSA-N	202.341	4.858	0	10	BJAE	
CCC(CC)C[C@@H](NC)c1coc2ccccc12	148699299	SWRPDQITXBFAAV-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CC[C@@H](C)[C@@H]1CCCCC[C@@H]1CNC(C)(C)C	155859656	UWVIUTPGXYMMBH-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)c1ccsc1	161428627	UQFFBRVNRKARTF-HNNXBMFYSA-N	249.423	4.679	0	10	BJAE	
CC(C)CCC[C@]1(O)CCC[C@@H](C(C)C)CC1	165635194	YQOPGKHGTKFPKA-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)c1ccc(C)c(C)c1	166779669	IBIYPSGRMSRCSY-USXIJHARSA-N	245.410	4.520	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccc(Cl)c(C)c1	168036501	RKDGMRMEOSWHKU-SNVBAGLBSA-N	238.758	4.657	0	10	BJAE	
Cc1cc2oc3cc(C)c(C)cc3c2cc1C	168309882	YPBUDKHZFLGKPD-UHFFFAOYSA-N	224.303	4.820	0	10	BJAE	
CCCCCCc1c(F)cccc1Cl	196871533	BJTDJZUDBULZBK-UHFFFAOYSA-N	214.711	4.602	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCCC[C@@H]2C(C)C)c1	214446933	ZHTCDZGBSRZTKJ-SJORKVTESA-N	245.410	4.930	0	10	BJAE	
CC(C)[C@H]1CNc2c(cccc2C(C)(C)C)S1	214913355	NUFSCXULCNZQHH-CYBMUJFWSA-N	249.423	4.526	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CCC[C@@H](C)C2)C1	226989334	YEKMKDASFUDEHD-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1ccccc1	227192902	GCWCGLRZHMHQDM-DJIMGWMZSA-N	245.410	4.552	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](N)CCC(C)C	229020421	ZEPVTPJXEFGSNB-XIRDDKMYSA-N	247.426	4.580	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)(C)C)c1cccc(C)c1	229293781	QEQRVYMQGGLIAJ-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
C[C@H](CC1CC1)Nc1ccc(Cl)cc1Cl	229668208	YEAJYZVHASLMGK-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
CCCCCC[C@]1(O)CCC[C@H](C(C)C)C1	231009588	ZTSTWTNULQXDRH-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](C)C(=O)c1cc2sccc2s1	233273002	UYQLBZVQPGJBLM-MRVPVSSYSA-N	238.377	4.582	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)[C@@H]2CC2(C)C)cc1	234022053	WBCXHEZJERQEKY-VBNZEHGJSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](c1cc(C)ccc1C)C1(C)CCCCC1	234492997	IRLYYQDKHANXFO-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC(C)(C)C[C@@H]2C)c1	235586026	LQGXCXYPGNODSB-DZGCQCFKSA-N	231.383	4.540	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1C[C@H]2CC[C@H]1C2	250474229	UIZBLWKDWMPPTR-SOUVJXGZSA-N	243.394	4.658	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCC[C@H]1C	250833955	SRKZXOROCULIKZ-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1	251065324	LSRYAAWAMYNPIV-BHYGNILZSA-N	245.410	4.868	0	10	BJAE	
O=C1CCCCCCC=CCCCCCC1	267327354	KUZFTOAYXWRQAA-UHFFFAOYSA-N	222.372	4.807	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@H](CC)C1	300366766	GQOZYHXSTLWZEK-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H](C)CC(C)C)c(C)c1	302369765	OMPVRRUHBWMCGC-GFCCVEGCSA-N	246.394	4.867	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1cccc(C)c1C	308050019	AMKLISKSINBYSD-OAHLLOKOSA-N	246.394	4.949	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1cc(C)c(C)cc1C	308051884	FJFCURNWRXEPOM-OAHLLOKOSA-N	246.394	4.867	0	10	BJAE	
CC1CCC(COc2cccc(Cl)c2)CC1	309463312	RNLIHPFTZXYGOR-UHFFFAOYSA-N	238.758	4.545	0	10	BJAE	
Cc1cc(C)c(C(=O)C(C)(C)C(C)(C)C)s1	309505479	MZEWPWNXFBZIMZ-UHFFFAOYSA-N	238.396	4.620	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H](C)C1CCCCC1	310240779	INCVBFMEOCBFNG-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCC1(C[C@]2(CNC3CC3)CCC[C@@H]2C)CCC1	318665268	CLRFVZOCYQLLIY-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NC(C1CCC1)C1CCC1)C1CCCC1	324899402	HMODUAMRQYRTPD-MRXNPFEDSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@H]1CCC[C@@H](C)C1	380010086	BJCWRHPAMROBMG-FXUDXRNXSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCCC[C@H]1Cc2ccccc2C1=O	383412286	XITALVDYJORQSZ-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](CC1CCC(C)CC1)[C@H](C)CC	383541272	UKWJNJIYXRECEU-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C1CCCCC1)C(C)(C)C	383941456	DZWQPFARDMUQIX-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCNCC1(CCCCCC(C)C)CCC1	394855068	HWCRTYCBVFRBBL-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@](O)(CC1(C)CCCC1)C(C)(C)C	395421469	GZQBVXIENPCQNO-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCc1cc2scc(C)c2cc1C(F)F	396198824	LECCNVYKCYZDLF-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
COc1cc2c(C(F)F)c(Cl)ccc2s1	396292152	OKQQZMMYILCBDB-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
COc1c(C(F)F)sc2ccc(Cl)cc12	396297877	WTMZGKLSYIFPOX-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC[C@@H](N[C@@H](C)CCC1CC1)c1cccc(C)c1	398019576	CAABESLIEQWBPM-WMLDXEAASA-N	245.410	4.614	0	10	BJAE	
CCCCc1ccc(NC[C@@H](C)C2CCC2)cc1	398620315	FCLGTUXMUADGSA-CQSZACIVSA-N	245.410	4.877	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](CCC2CC2)NC)cc1	400907168	QEPGOSBRDAVPOT-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@@H]2CC=CCC2)cc1	402271410	IOZCVGOMETXEAK-RHSMWYFYSA-N	243.394	4.556	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2CC[C@@H]3C[C@H]3C2)cc1	403142943	WPSQZYAOXGVPTF-FVQBIDKESA-N	244.378	4.625	0	10	BJAE	
CC(C)(CC[C@@](C)(O)C1CCCCC1)C1CC1	406049472	GEGZKVNWOPYMEQ-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CC(=O)C1(C)CCCCC1)CC(F)F	688807045	NQDDFTJSSHMWRP-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC(C)c1cccc([C@@]2(O)CCCCC[C@H]2C)c1	688910828	CESHGTYICZQZEG-RHSMWYFYSA-N	246.394	4.598	0	10	BJAE	
CC(C)(CC[C@@](C)(O)CC1CCCC1)C1CC1	689715731	MTAHZFOMFUHOCL-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)CC2CCCCC2)o1	689716123	IVTRMNGMCPZUFQ-JSGCOSHPSA-N	249.398	4.598	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H](C)CC1CCCC1	689832583	SGRATMSOBPSKLW-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](Nc1ccc(C2CC2)cc1)c1ccco1	690102802	QPIWGSDAGIMBFI-HNNXBMFYSA-N	241.334	4.720	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@@]12CCC[C@H]1C2	693141253	AOFOFARVHQJUIS-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCCC[C@@H]1C	696725749	FUWMEUQEIZCCOP-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCc2ccccc21	696761183	UZAOLUXVUGFRQH-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
CCC(C)(C)CCn1c(C)cc2ccccc21	696783479	SINFSHYZQVHWTO-UHFFFAOYSA-N	229.367	4.776	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)[C@H]1CC12CC2	698139528	LDCVXRHSAJQMKM-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C	701046170	BIMXYLKCFMNZLN-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)C(C)(CC)CC	701242758	FMMWNULBAXKZCJ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(CC2CCC2)CC1	703888656	ODZLCXQBOQWPLE-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](O)c1ccccc1C1CCC1	703967608	BRWHXJJOJMGFOT-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@H]1CCCC[C@H]1C	704844715	MVFZBLIIHAPIIC-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC1(CNC[C@H](C)CC(C)(C)C)CCCC1	709127354	QGLBLWZGEZVIOT-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C[C@@H](O)C[C@@H](C)C(C)(C)C)C(C)(C)C	711193552	SINJWPWTDCKNII-MCIONIFRSA-N	242.447	4.882	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccc(Cl)cc1	711253419	IUYVBIYIVWSMNP-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C(C)C)C(C)C	713174457	LTDQZWVGGAHXGJ-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](N[C@H]1CC(C)(C)CC[C@H]1C)c1ccco1	717548202	DEVZXPHRLMIAEH-RDBSUJKOSA-N	249.398	4.535	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C(C)(C)C(C)(C)C	718575322	YKUSDNRLQSLCBL-ZDUSSCGKSA-N	225.420	4.523	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C(C)(C)C	718590215	SLLYNCRAMXPYCM-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](CC)CNCCC(C)=C(C)C	718605051	LMMFADAGUOBSEC-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CC(C)=C(C)CC/C(C)=C\CCNC(C)(C)C	718623990	JOKHTBAYMOVZCD-ZROIWOOFSA-N	237.431	4.847	0	10	BJAE	
CC[C@@](O)(CCC(C)=C(C)C)Cc1ccccc1	718688815	GOIIHJOKRQOORJ-QGZVFWFLSA-N	246.394	4.507	0	10	BJAE	
C[C@@H](CCC1=CCCC1)COCc1ccccc1	719593946	WFTJFTJQTXGHLL-HNNXBMFYSA-N	244.378	4.730	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	723615969	TZNBGGOSHUUQHC-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C1=CCN([C@@H]2C=CCCCCC2)CC1	1473351559	OQZZGDWZGYEZJC-MRXNPFEDSA-N	247.426	4.554	0	10	BJAE	
CCCC[C@H](C)N(C)Cc1c(C)cc(C)cc1C	1643310019	ZHTFQVDIZRHLAR-INIZCTEOSA-N	247.426	4.622	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCC[C@H](CC)C1	1900711847	HAVYXAILJIVBCS-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CC[C@@](N)(CC)C1CCCC1	1900712347	JPQXPMPLBMEGKH-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCN[C@@H](C)CCC=C(C)CCCC(C)C	1900881172	VYZBZXZWEAWFQQ-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)CCC=C(C)C	1905379379	ABPHIRHDLRDTCR-LSDHHAIUSA-N	226.404	4.700	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)CCCCCC1(C)C	1908571351	JCAOKYMOFXHILM-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCSc1cccc(NCCC[C@@H]2C[C@@H]2C)c1	1908571793	MGDHGKXXSHEFQV-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CCCCCC[C@H](N)CCC=Cc1ccccc1	1911954048	CKGCDYNEMVUVPP-KRWDZBQOSA-N	245.410	4.778	0	10	BJAE	
C=CC=CCC[C@@H](CC1CCCCCC1)NCC	1912096167	GBAWPTQVKVBMQD-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CCNCC1(C2CCCCC2)CC2(CCCC2)C1	1912566667	ASUHIIYNAIHAEI-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC(C)(C)CC1(CO)CC2(CCCCC2)C1	1912587765	XRJIICASFQHZME-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)CC2(CCCC2)C1	1912691393	RPYWRUHBERWHJU-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)C[C@](C)(O)c1ccc(C(C)(C)C)cc1	1919631943	UKPDVUVTXNOOOC-GUYCJALGSA-N	248.410	4.628	0	10	BJAE	
CCc1ccc([C@@](N)(CC)CCC(C)(C)C)cc1	1920448988	LLCIIWHQZJTVAG-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)C1CC(C(C)C)C1	1921108661	YOUXYTSATQDGCZ-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C1CC(CC)C1	1921261631	LEMANIWAIQWEET-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@H](C)C1CCCCC1	1924077336	ZYFMWJVOIGQYJE-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H](C)C1CCCCC1	1924103015	ACLWBRYCYCADMG-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@H](C)C1CCCCC1	1924106445	KWRXQLMACKWCTN-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC(=O)c1cc(C)ccc1Cl	1925539586	NHNXDVOHUGGFDT-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
C1=C[C@H](Cc2cccc(C3CC3)c2)CCCC1	1925878381	ANMCIICVBWZXPQ-AWEZNQCLSA-N	226.363	4.853	0	10	BJAE	
CCCC[C@@H](C[C@@H]1C=CCCCC1)NCCC	1925914384	BUBAEHNTVYYMSZ-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCCC1(C)CC1	1935936998	MVPGFFPTHALSGF-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CC(=O)[C@@H]1CCCC(C)(C)CC1	1939899513	LGPXXUSJOPFROI-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCC[C@@H](C)CC1	1939902985	JGSIKRNBARZDJF-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)CCC1(C)CC1	1940789996	IJBYKHGHZKKZBM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(N)(CCC[C@@H]2CC2(C)C)CC1	1940882011	OMMLWYYGORRMIX-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)C1CCCCCC1	1941242448	CLDGSLRXNMJWPU-HZPDHXFCSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@H](CC(C)C)C(C)C	1941267377	QZMWVTBRJPSJFF-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@]1(O)CCC1CCC1	1941470118	LSJCUBPMWFFWET-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccccc1C1CC1	1941538192	IQEUDCFTJWFCLI-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC(C)CCC(=O)c1ccccc1CC(C)C	1941848674	SONKNLMDANHNNB-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C1(C)CC(C)C1	1941984418	UNDCWJRMTQQGTR-YHNBSYBMSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)C1CCCCCCC1	1942656356	CZCBLLRTPMKZCW-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C[C@H]1CC1(C)C	1944742707	XMEJTDSDILGWAS-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@H]1CCC[C@@H]1C	1944835671	DORBBOOKNFEQAI-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC2(CCCC2)C1)C(C)(C)C	1946454123	DHQIDVOTQVGLQF-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)CCN[C@@H]1CCCC2(CCCC2)C1	1946455333	MQIOGCBFAPVYHZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H]2C(C)C)c(C)c1	1947460724	HKHXVSZHLKCPJM-GDBMZVCRSA-N	231.383	4.540	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](C)[C@H](C)CC(C)C	1948331511	GQZDLNONPHPFTP-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CCC(C)(C)C1CC1	1949035574	UXAUBNLDQYAZPA-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C[C@H]1CCC2(CCCC2)C1)NCC	1949551308	JJHIMBUMPLBBRH-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@@H]1CCC[C@@H](CCN)C1)CC(C)(C)C	1950518074	TYRXXACGZJZDCM-ILXRZTDVSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@@H]1CC12CCCC2	1950666740	ZNDFFWINYQROQZ-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCCCCc1ccsc1C(F)(F)F	1962718775	AZAASTOLJQBXBQ-UHFFFAOYSA-N	236.302	4.890	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CCCC(C)C	1963228444	GZTNSCPMOLGBSF-OAHLLOKOSA-N	227.436	4.571	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2C[C@]2(C)CC)CC1	1966012138	PBZXJYJODYISQE-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC([C@H](C)NCC(C)(C)C)CC1	1968633838	LMMGKTUJBXXHJH-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NCC1CCCCC1	1973519716	RJJBTNFIQGVYHD-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C(CC)CC)C(CC)(CC)CC	1978562223	DCLOOLKVYOQMGJ-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
O[C@H](CCCCCCC1CC1)c1cccs1	1980699968	TWJZWANFYHTLBH-CYBMUJFWSA-N	238.396	4.532	0	10	BJAE	
Clc1ccccc1CC1CC(=C2CCC2)C1	1985535397	UFUISXMRGBZYLR-UHFFFAOYSA-N	232.754	4.773	0	10	BJAE	
CCC(C)(CC)C(=O)c1c(C)sc(C)c1C	1985609197	LDPUYNRYDUNNAU-UHFFFAOYSA-N	238.396	4.682	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC(C)(C)C)NC	1995263027	QEALIMIOHCHOHH-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC1([C@@](C)(N)C2CCCCCC2)CCCCC1	1995986688	PQANPQVEZDOZQC-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCCCCNC[C@@H]1CCC[C@@H](CC)CC1	1997101245	XTLYIQHJWSPJTN-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CC(C)CCCCCC(=O)[C@]1(C)CC=CCC1	1997604116	KQIRQRBITHFQOU-MRXNPFEDSA-N	236.399	4.908	0	10	BJAE	
CC(C)C[C@H]1CC[C@]1(N)CCCCCC1CC1	1998737993	HOHMZZHYMKIAPM-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)CCCC1CC1)C1CCCCC1	2000212231	UGOSUGGBTIXASG-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@H]1CCCC[C@H]1C	2000505867	VSAXDVHGLHMREJ-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCC1(CC)CCN(CC(C)(C)C(C)C)CC1	2000906644	JZWDDLYFSWDJFT-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCCCCN[C@@H]1C[C@@H]2CCCCCC[C@H]21	2001502160	SJWBZIUNMUZTRM-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CC[C@H](C)CC1	2003066921	KOKFYORTMWHRBL-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)C1(C)CCC1	2004832184	BEQFGVYJOGCLJZ-CYBMUJFWSA-N	231.383	4.548	0	10	BJAE	
C[C@H](N[C@H]1CCCC(C)(C)CC1)C1(C)CCC1	2004834709	PLMHWXAYCAZKEL-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)C1(C)CCCCCCC1	2004922300	GLMLVSABHMKAQJ-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CC1(CCC2(O)CCCCCCCCC2)CC1	2009533088	ANHZJRIUYGGCKP-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@@H](CC)CC(C)C	2009533387	BXHWFCWZCOIWGH-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H]1CCC(C)(C)[C@H](NCC)C1	2009616896	NEVLEFLJZOHQMO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H]1NCC[C@@]12CCCCC[C@H]2CC	2009769389	LONJEAFXSNDKDW-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCCCC1CC(N(C)CC(C)(C)C(C)C)C1	2009780753	BEDMYNFBJCZFEF-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCCCCC1CC(N)(CC(C)(C)C(C)C)C1	2009790937	FIKQDKBSHNMVKS-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(CC[C@@H](O)CCCC1CC1)C(C)C	2015338013	FMHVOMGBHFNLBC-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CCN[C@@H](C)CC(C)(C)C)C(C)C	2015343582	FNYVRUKHRTXPMU-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC(C(C)C)C(C)C)C1	2015396907	GKENDCLQKYTZIX-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](CNC(C)(C)C)C(C)(C)C	2015396927	HFVYDBLORFGFFX-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
CC(C)CNCC[C@@H](C)CC(C(C)C)C(C)C	2015408521	KALDSZJALXZFSN-OAHLLOKOSA-N	241.463	4.577	0	10	BJAE	
CC(C)(C)C1([C@@H](N)CC2CCCCC2)CCC1	2017132364	CQYROYOKDPGMKC-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
S=c1cc[nH]cc1-c1ccccc1C1CCC1	2017185014	HTSRYTCIQPOBER-UHFFFAOYSA-N	241.359	4.679	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)[C@@H](C)[C@@H](C)CC)CC1	2017657387	FBRZTHHWDCADQY-UVPYHEFZSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)c1cccc2sccc12	2017700541	NMOYYTSUIGJHAG-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCCC[C@H]2N)CC1	2017729194	UFVNITQLMFHLLA-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1CCC(CC)CC1)[C@H](C)CC	2017730067	CNCCCMUBAYYCPY-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@H](C)C[C@H](C)NC)CC1	2017732481	BHSHMYPTQTUSRX-FXQLRMTLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C)C[C@H](C)NC)CC1	2017732487	BHSHMYPTQTUSRX-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@H]1CC[C@H](C)CC1	2017775307	AAAGWZSKVJJFFZ-JOCQHMNTSA-N	238.415	4.844	0	10	BJAE	
CCC1(CC(=O)c2ccccc2C(C)C)CC1	2018950820	WFGLYZKMSSFPDM-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCCN(C[C@@H]1CCC[C@H](C)C1)[C@H](C)CC	2019160224	AZLJUMUGJUYROO-ARFHVFGLSA-N	239.447	4.713	0	10	BJAE	
CCCCN(C1CCCC1)[C@H]1CCCC[C@H]1C	2020535661	KLOHELZOLXKSJT-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CC=CCCCC(=O)[C@H]1C[C@H]1C1CCCCC1	2022414089	ZILOEIZGJZNGLN-GJZGRUSLSA-N	234.383	4.518	0	10	BJAE	
CN[C@H](CC=C(C)C)C[C@H]1CCCC(C)(C)C1	2024091679	KJOXZBOHLQYKHN-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)[C@H](N)CC1CC(C)(C)CC(C)(C)C1	2024097921	YVPHGDYUXNZWLW-TZMCWYRMSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC(C)(C)C2(C)C)c1	2025017459	JBPYZDIJQNXTHG-CQSZACIVSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CC1CCCC1)NC	2026162397	BWQGOUUAKKQCNE-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCc1ccccc1N[C@H]1[C@@H](C)[C@@H](C)CC[C@H]1C	2027793408	MHSQJIBBLMQKFJ-QDEZUTFSSA-N	245.410	4.732	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)c1occc1C	2027822484	RBICJXCQTYANIM-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CCC[C@@H]1CC1(C)C	2027842018	DXJWDCUEZUATDK-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@@H](CCC)C(C)C)cc1	2028261893	ILDBEWPPGRMRRA-DLBZAZTESA-N	247.426	4.711	0	10	BJAE	
CC(C)[C@@]1(CC2CCC=CCC2)CCCCCN1	2028899281	XYYCYLZSSMNMKW-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1(CNC[C@@]23CCCC[C@@H]2CCC3)CCCC1	2031804711	MIZGRQOVKBOAKL-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
N[C@@H](CCCC1CCC1)c1cccc(C2CC2)c1	2036356504	RRWMYKJSYVMIKT-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
Cc1oc2ccccc2c1[C@H](N)CCCC(C)C	2037093625	LGMLDLBYMYKLJO-CQSZACIVSA-N	245.366	4.567	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@@H]3C[C@H]3C2)CCCCCC1	2037130437	NRNZZYQNESMCJM-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC1CCC=CCC1	2037207677	DMFZJQPBBVDJMN-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
Cc1ccccc1[C@H](O)[C@@H]1CCCC(C)(C)CC1	2039387195	VSLZKCCNJGNAFY-GDBMZVCRSA-N	246.394	4.635	0	10	BJAE	
CCc1cccc2ccn(C[C@H]3CC[C@@H](C)C3)c12	2040137316	HYRDCNIFSUONEA-KGLIPLIRSA-N	241.378	4.640	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@@H]2CC[C@@H](C)C2)cc1	2040173509	URUPDDOYOXVHHA-CKEIUWERSA-N	246.394	4.670	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)c1ccccc1C1CC1	2040723070	FSAPDOSQCKVWQO-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
C1=C[C@H](Cc2ccc(CC3CC3)cc2)CCCC1	2040732852	LTAUETXWVNBTIF-HNNXBMFYSA-N	240.390	4.928	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCCC2(CCC2)C1	2041297809	XDPLWYNCRGNPHW-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)C[C@@H]2CCC=CCCC2)C1	2045314580	LOZSLUZKIFGSRL-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1NC[C@@H]1CCC=CCCC1	2045317777	OSSBPLPWIOIAQU-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](C[C@H]2C=CCCC2)NCC)CCC1	2045797067	NMSZWTZHLJPPOX-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CCC23CCC3)CC1	2047937398	XLJLYGILSWTFFZ-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C12CCC(CC1)CC2	2048883546	VITFVWPUAOILOD-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@H]1[C@H]2CCCC[C@H]21	2049642471	VTEAUSFQMGHTNW-JONQDZQNSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@H]1CCCC2(CC2)C1	2049850730	ZVAQXMBRZAHWEQ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@]1(N)CC1CCC2(CC1)CC2	2049853464	DYTRZKKCOWLBMM-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(N)CC1CCC2(CC1)CC2	2049859529	UAAFTTSSTBXYBW-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC[C@@]1(C)C=CCC1)[C@H]1CCCC(C)(C)C1	2049980142	WEKZXKSWTUQNAF-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CC(=O)c1ccc(C)cc1	2050466084	XECRXVHXNSSYOB-GDBMZVCRSA-N	244.378	4.784	0	10	BJAE	
CCC1(CC)CCC(NC[C@]23CCC[C@@H]2C3)CC1	2051593061	NTTVBZZTSYKNLC-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(CCCC2CC2)CCCC12CC2	2053358470	QHKSYIVZDAVLGR-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)[C@@H]1CCCCC12CC2	2053418110	JWWDGBUKWDIICM-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H](N[C@@H]1C=C(C)CCC1)c1cccc(C)c1	2055552521	PTDHFVXMZRGAHK-DLBZAZTESA-N	243.394	4.535	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H]1CCC[C@@H]1C(C)C	2056451835	WSUNIBKUAOGBNN-IKGGRYGDSA-N	249.442	4.559	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2CC(C3CCC3)C2)C1	2056676551	AWTICZLREPDFFJ-UUNGTBAKSA-N	248.410	4.598	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H](CC)c1ccccc1	2056783160	SJTNBBCNTOAQNT-SJORKVTESA-N	245.410	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C=C2CCCC2)CC1	2056913834	MOENOSGYDAFJPJ-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCC1(C)CC(NCC2(C)CCC3(CC2)CC3)C1	2058835808	UUPANBKSMSQNMW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2CC3(CCC3)C2)CC1	2059002693	HHPXAQUFHDBICB-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@H](NC)c1c(C)cc(C)cc1C	2059255083	FBSGBEMHIFWIOR-MOEXGYKKSA-N	245.410	4.619	0	10	BJAE	
CCCCC1CC(N[C@H](C2CCCC2)C2CC2)C1	2059392443	RCLQFKZBDSWFRW-QWFMPGPPSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(NC[C@@H]2C(C)=CCC[C@H]2C)C1	2059492214	NNJFOTJFZVUHBN-RDHHWEPZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](CC)CC1)[C@H](C)C1CC1	2061084925	NKKURAJWOVCTQC-CPUCHLNUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@H]2CCC(C)(C)C2)CC1	2061085253	PNYYNCSZEOMMER-KBMXLJTQSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC[C@]12CCC[C@@H]1C2)CC1CCCCC1	2061573155	VXZYLGZIZNSTGB-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](CC1CC(=C2CCC2)C1)NC	2061737794	VGAHHWMAMFFESV-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC([C@]2(N)CCCCCC23CC3)C1	2062010361	VUVBVGJUPMYOEJ-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CN([C@H]1CCC(C)(C)C1)[C@@H]1CCCCCC12CC2	2062192331	BVPRIMGZVGSFAH-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CCCc1cccc([C@@H]2CC(=O)CC(C)(C)C2)c1	2063726042	KDXKOEGJWDAZSR-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)C2CC3(CC3)C2)c(C)c1	2064497810	NGNMDQASQGBCAU-CQSZACIVSA-N	243.394	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@@]3(C)C[C@@H]23)CC1	2065664113	LVPCPXMYVKKVMV-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)[C@H]1CCC1(C)C	2068235290	DNMILVXLESUEST-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)C[C@@H]1CC12CCC2	2069183543	TYDLPCUVXWHSTG-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@]23CCC[C@H]2C3)CC1	2070959591	QKMCVMJADNHKMG-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	2071918033	AJNPJXIQNFDNGJ-FOLVSLTJSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@@H](N)CC1(C(C)C)CCC1	2071947320	YVJYSTCZPNAWAB-OWCLPIDISA-N	249.442	4.523	0	10	BJAE	
Cc1ccc(C)c([C@H](O)C2(C(C)(C)C)CCC2)c1	2071968821	KYTFNMIRGITYCT-HNNXBMFYSA-N	246.394	4.553	0	10	BJAE	
C[C@H]1CC[C@H](CCC[C@@H](O)c2ccccc2)CC1	2072784248	XBERUEXULDMNCU-BFYDXBDKSA-N	246.394	4.717	0	10	BJAE	
CCCC1CCC(C[C@H](N)C2(C)CC=CC2)CC1	2072794571	VUADNXDLBYDAII-GPANFISMSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)[C@@H]2CC23CCC3)CC1	2072796152	MAACDQXNINFHOR-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(N)C2CC=CC2)CC1	2072882757	ZMLWCXDDLGIELA-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(N(C)C)cc1	2073347663	SSBPAACSRFATMB-AWEZNQCLSA-N	248.414	4.523	0	10	BJAE	
CCCC1(C[C@H](C[C@@H]2CCC23CCC3)NC)CC1	2074648062	FADKCARKXAHZHC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N2CCCC23CCCCC3)CC1	2074859863	NVYJRGPZCBPVJW-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
CC[C@H](C1CCC1)N(C)[C@@H]1CCC12CCCCC2	2075011066	RAQXOKIPQRCKFI-HZPDHXFCSA-N	249.442	4.610	0	10	BJAE	
CCCN(C[C@H]1C=CCCC1)C1CCCCCC1	2076552061	FBDROZANBFEJIF-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CC[C@H]3CC[C@H]32)c1	2077264917	DNUSDNSQTVEWJV-FRFSOERESA-N	241.378	4.555	0	10	BJAE	
CC(C)[C@H]1C[C@H]1C[C@H]1C[C@@H](C)c2ccccc2N1	2079659004	DIOFBSCQSNKDGF-IXYNUQLISA-N	243.394	4.657	0	10	BJAE	
CCc1ccccc1[C@](C)(O)C[C@H](C)C(C)(C)C	2081209961	VKUJZOKJUKLZIG-SUMWQHHRSA-N	248.410	4.529	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NCC=C2CCC2)CC1	2081673895	ARQZMUVPYFLATP-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC=C(C)C)CCCCCCC1CC1	2213582519	IQQBROINZRARSK-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](c1ccsc1)[C@@]1(C)CC=C(C)CC1	2215816885	KJCQSNOEFOHGSD-GJZGRUSLSA-N	249.423	4.535	0	10	BJAE	
CCC[C@H](O)CC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216745554	XCFDYWISVPPEFF-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](NCCCCCCCC1CC1)C1CC1	2216895413	NSGUCMMRMOPFRX-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@H](CCC(C)(C)CC)C1CC1	2217152483	FFYLAAQMKMRLOR-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1[C@H]2CCCCC[C@H]21	2218721981	XGANQKMOVBGWGS-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](C/C=C/c1ccccc1)NCC	2219087003	VTBZWOGNXXNNEU-JIIJFUIFSA-N	245.410	4.648	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)c1ccc(C(C)C)cc1	2220879547	VMIPEWLXEMCZDN-KBRIMQKVSA-N	245.410	4.636	0	10	BJAE	
CN[C@@H](CC1(C)CC(C)(C)C1)[C@]1(C)CC=CCC1	2221037762	FBELXMIVWVNFCW-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@@H]1CC[C@@H](C)C1)[C@]1(C)CC=C(C)CC1	2221634031	WZULDGFALMIREO-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](CCC(C)(C)C)(CNC2CC2)CC1	2221669033	UFRQLZVQLYSREB-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNC2CCC2)CC=C(C)CC1	2223583955	LUNCJIJVPKLMDL-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@H](C)c1ccc(C)cc1	2223967493	FFGNCIFFSDSWPX-PBHICJAKSA-N	247.426	4.513	0	10	BJAE	
Cc1ccc2oc(CC=Cc3ccccc3)cc2c1	2226204505	XAOXHTPLFMVOED-UHFFFAOYSA-N	248.325	4.997	0	10	BJAE	
CC(C)=CCCc1cc(F)cc(C(F)F)c1	2244615858	CTSUEMLGELHSSW-UHFFFAOYSA-N	228.257	4.662	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CCCCCC1CC1	2244768449	XTYFBZHOHQJSKR-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@@H]1CCCCC12CC2	2246617597	NCQHGSQFUDMAMO-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC)CC[C@H]1CCCCC12CC2	2246627370	QKOBYIPEQDVIBN-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)[C@H](CC[C@@H]1CCC[C@@H](C)C1)NC	2246727556	PIDQVJUDAPAALX-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@H](N)CCCC[C@H]1C[C@H]1C)C(C)(C)C	2247128829	MAGOVFWOIWMQOO-QPSCCSFWSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@H]1CCC12CCC2	2247415674	GMKLUGSFWUABHQ-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCCCCCC(=O)CC[C@@H]1CCCC12CC2	2247642372	BNTYVMOLOCNQGI-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
CC1CCC(N)(CCCCC[C@H]2C[C@@H]2C)CC1	2248806000	JFEMWYGLGCMNCP-PYBGIAKNSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N)cc(-c2ccc(C3CCC3)s2)c1	2250257824	BBVYRYZVKHSMCC-UHFFFAOYSA-N	243.375	4.573	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C(C)C)[C@H](C)O	2250484144	BVNWBGCXCHDPNH-JYJNAYRXSA-N	242.447	4.882	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1[C@@H](C)CC[C@@H]1C	2250519988	YZWLWPYCGBNMTN-JYJNAYRXSA-N	239.447	4.712	0	10	BJAE	
CC1CC(C)(CC(=O)C2CC3(CCCCC3)C2)C1	2253758137	PFIZMYWTTXNALE-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C(C2CC2)C2CC2)C1	2253939039	PQZJIXZMBICGSI-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(F)c1NCC1CC2(CCCC2)C1	2254083033	BIMASVBFVSVRSD-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)[C@@H]1CCCCC12CCC2	2255030034	WNTNVDQCSGHSAS-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCCC1([C@@H](N)CC[C@@H]2CCCC23CC3)CCC1	2255254834	YOBACCQOYJAGFE-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(NCC[C@H]2CCCC23CC3)c1F	2255279511	ZHBLGZJHTCPXNQ-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CCc1cccc(NCC[C@@H]2CCCC23CC3)c1	2255330214	KMFZOECHGKVFPJ-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
O=C(CCCCCC1CC1)C[C@H]1CCCC12CC2	2255338295	QLWKSPYJPQGDJU-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](CCCCCC[C@H]1C[C@H]1C)c1ccco1	2257248205	RRLLAGLKOKEWRH-QLFBSQMISA-N	249.398	4.537	0	10	BJAE	
C[C@H](Nc1cc(C2CC2)ccc1F)C1(C)CCC1	2259129821	ZUTUDKCGCNHYMN-NSHDSACASA-N	247.357	4.694	0	10	BJAE	
CCCC1([C@H](C[C@]23CCC[C@H]2CC3)NC)CCC1	2260573998	KRKQXKMDJMFPHM-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2260581517	ZQQHAXVJJLVICS-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CCC(N)(C[C@]23CCC[C@H]2CC3)CC1	2260645509	IRJPYEZAJUWJBZ-ORBLRFAASA-N	249.442	4.645	0	10	BJAE	
CC1(c2cc3cc(F)c(F)cc3[nH]2)CCCCC1	2263454292	JGXHTYYNWKQNPG-UHFFFAOYSA-N	249.304	4.668	0	10	BJAE	
CCC(CC)CC[C@@H]1CC(C)(C)CC[C@H]1NC	2300685382	DVKANWNCOBWRSD-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CC[C@H]1CCC(CC)CC	2300686533	RUZYPJOBZSKHBZ-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN1CCCC12CCCCC2	2300696774	HQORCUSBGVFUIQ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC)CCCC(C)(C)C1	2300861499	SEZXPHQAIUWREN-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](N)CCC[C@H]1C[C@H]2CCC[C@H]1CC2	2301142021	FSMBTYYHEPPVNO-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C(=O)CCCC2=CCCCC2)CC1	2302356675	PVTKICJEMZXGOC-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CCCCC1CC1	2302574965	RUCIETMQZRGWIG-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](CN[C@@H](C)CC)C[C@H]1CCC(C)(C)C1	2302715252	DQOKSZNWAZFJFO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](C[C@](C)(N)C2CCCCC2)C1	2302751484	TZDXCLOSZQUWFZ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CC[C@H]1C(C)(C)C	2303443550	VQLRLJAWXKAZIF-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)CC1(CN)CCC(C)(C)CC1	2307824608	XGHLJTHQDAGWBZ-AWEZNQCLSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)[C@@H]1CCC[C@H]1C(C)C	2307900495	VIKOHMMVWUCVHF-QXSJWSMHSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CC(CC2CC2)C1	2307925107	QTXGFFMSUCSZSJ-GRTSSRMGSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2C[C@H]2C2CCCC2)C1	2311526279	ZSVWUOQJGSZDPD-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)C[C@@H]2C[C@H]2C2CCCCC2)C1	2311609265	RMZMALPGMMTKMQ-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
NC1(C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCCCCC1	2313187095	QZNMOCNKIUMSLV-XHSDSOJGSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1C[C@H]1c1ccccc1	2316269026	PGSWSZFKTJEMSD-JKSUJKDBSA-N	244.378	4.576	0	10	BJAE	
CCC(CC)CCC(=O)c1ccc([C@@H]2C[C@H]2C)o1	2316269076	PZENPJVNCPYAKI-DGCLKSJQSA-N	248.366	4.802	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@H](CC)c1ccccc1	2316501919	IHPXADLIHTZQRI-IAGOWNOFSA-N	245.410	4.515	0	10	BJAE	
CC=CC[C@H](NCC)c1ccc(CC(C)C)cc1	2316508627	LESCTRUDHDLRIU-KRWDZBQOSA-N	245.410	4.502	0	10	BJAE	
CCC(C)=CC[C@@](C)(N)c1ccc(C(C)C)cc1	2316534973	DUGSVJYDJOPCDJ-QGZVFWFLSA-N	245.410	4.730	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317118994	OGCQVFSYFVLYGY-VQHPVUNQSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317120302	YFHUHYDLWFILSD-JZAWBGDQSA-N	249.442	4.536	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)[C@H]1C[C@@H](C)Nc2ccccc21	2317951668	WVHHMNXFMDKXKS-IXYNUQLISA-N	245.410	4.903	0	10	BJAE	
Cc1ccccc1N(C)C[C@@H]1CC[C@H]1C(C)(C)C	2320298995	QXBKCLIUHQXSJV-LSDHHAIUSA-N	245.410	4.504	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@H](C)CC1CC1	2320516706	KHOXHLDLPVDZFX-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H](CC1CC1)C1CC1	2320703777	VPOGPRDAHBOGLH-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CC[C@@H](C(C)C)C2)c1	2321089038	HYHJVDOSWOEHAD-HIFRSBDPSA-N	249.373	4.625	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCC[C@@H]2C)c1F	2327766416	DQPFKAGGIURPBW-JSGCOSHPSA-N	249.373	4.940	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1C)c1ccccc1	20552351	MIKVWIPBDCLYII-INIZCTEOSA-N	239.362	4.867	0	10	BJAE	
CCCCCCN[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	20565226	VWGCDZLYXPUMPG-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCCNC1CCC(C)CC1	20567477	WBJDIPBSBGAMHK-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](c1c(C)cc(C)cc1C)C(CC)CC	35547967	LYBGTXBLPDUXHH-KRWDZBQOSA-N	247.426	4.699	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)CNC(C)(C)C	71126676	QSKKTQSRKMMYDN-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(=O)c1ccc(Cl)c(C2CCCCC2)c1	75841258	UDQDDOUSESUUMO-UHFFFAOYSA-N	236.742	4.590	0	10	BJAE	
C[C@@H]1CC(Oc2ccc(Cl)cc2)C[C@H](C)C1	85150263	QHMLNEBPXYKBDH-BVUQATHDSA-N	238.758	4.544	0	10	BJAE	
Cc1cc(F)ccc1C(=O)C1CCC(C)(C)CC1	87940829	JZLPIBORQQGGGZ-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](CC)c1ccccc1	88293742	OUMLXPJTMDTLHR-DZKIICNBSA-N	233.399	4.552	0	10	BJAE	
CCCC1CCC([C@H](NCC)[C@@H](C)CC)CC1	93188280	MFGCRZNJZYRLME-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C2(C)CCCC2)cc1	94899635	GFCFXDUBZWLILT-BBRMVZONSA-N	245.410	4.780	0	10	BJAE	
C/C=C\C[C@H](C)c1ccc(OC(C)C)cc1	107578194	GMVCOWZTRNJBSD-SZZPACECSA-N	218.340	4.544	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H](C)CC(C)(C)C2)ccc1F	109957572	INHWZHQUWFPBGL-SMDDNHRTSA-N	249.373	4.761	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C[C@@H](C)CC(C)(C)C	125991769	XTMADIKJWKJMSZ-BFHYXJOUSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@@H](CC)C1CCC2(CCCC2)CC1	130437832	GJNNQGRTCBHXRC-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc2sc3cccc(C)c3c12	135775678	DGUACJDPTAAFMP-UHFFFAOYSA-N	212.317	4.671	0	10	BJAE	
CCC(CC)C[C@H](O)c1cccc2ccccc12	148093996	CLHLEFMOCRRFNO-KRWDZBQOSA-N	242.362	4.700	0	10	BJAE	
CCN[C@H](CCCC(CC)CC)c1ccccc1	149451463	YDGBRIIAYSNPHS-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)c1csc(C)c1	161325113	ACYFFBWBYJIPQQ-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CCCC(C)C)C1	165473377	PSTOZUKXDLBSBL-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2(CC)CCCC2)C1	166303562	AZHXYWUMBUEPQC-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)c1ccc(C)cc1C	166774884	YNMRQUFMFQQURQ-BHYGNILZSA-N	245.410	4.520	0	10	BJAE	
C[C@H]1C[C@@H](N[C@@H]2CCC23CCCCC3)CC[C@H]1C	230171718	QIIGERFIGWQXDZ-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@@H](C)CCC	233166350	AWUGAGVYULRXNL-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1Nc1ccccc1Cl	235322774	KMZLRWGDBGNJGZ-ZWNOBZJWSA-N	237.774	4.577	0	10	BJAE	
Cc1cccc([C@H](C)NCC2(C)CCCCC2)c1	235526461	UUFHVSXIYZIMPD-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
CCCc1ccc([C@H](C)N[C@H](C)[C@H](C)CC)cc1	249727591	XXEPLBFDEMINAI-KFWWJZLASA-N	247.426	4.724	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@H]1CCCC[C@H]1CC	250802544	LXBMVHSCQCTBQG-VNQPRFMTSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](C[C@H](C)CCC)C1	251400685	ZQWGECMKNQKXMU-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2C[C@H]3CC[C@H]2C3)n1	252850516	HOPLPBMVOPCWBZ-FIQHERPVSA-N	235.396	4.560	0	10	BJAE	
CCC[C@H](C)[C@]1(O)CCCC[C@H]1c1ccccc1	300460717	BNXOZBKABFYCCT-BHYGNILZSA-N	246.394	4.512	0	10	BJAE	
Clc1ccc2ccn(CCC3CCCC3)c2c1	302289348	WTDYMIXTCFIGOC-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1coc2ccccc12	302360486	XPUNHSBTTOQOJH-AWEZNQCLSA-N	245.366	4.649	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1CCCC(F)(F)C1	304218286	SIZKLGCKHZDGDD-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CC1(CC(=O)c2csc(Cl)c2)CCCC1	306530836	HRQLMFPFAFOZFT-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CSc1c(Cl)cc2sccc2c1Cl	306790609	YXZFMAACIQSSCX-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@H]1CCC[C@@H](C)C1	308048775	JMFKWVHCULSAEZ-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1(CC)CCC1)NC	310120543	HZHCQEWVFGIZEQ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C(C)(C)CNCCC1CCCCC1	310191643	XLHFTGZYBFIZHA-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CCC(C)C)C1CC1	310314831	WIZGLGNKFMDUQL-HOCLYGCPSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](N[C@H](C)C1CCCC1)c1cccc(C)c1	310797696	SGVFJOREVPKCST-RHSMWYFYSA-N	245.410	4.614	0	10	BJAE	
CCCCCC[C@H](NC)c1ccsc1Cl	312545684	OMUJVUJQJVNVSP-NSHDSACASA-N	245.819	4.632	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC(C)C)([C@H](C)CC)C1	317769781	SVLBFCIGCQSYNP-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC(C)C)(CC(C)C)C1	317777156	UWNMVWVBLCTUNN-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@](CCC2CCCC2)(CNC2CC2)C1	318848812	CGMAVNDMIMYTRC-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2CCCCC2)CC1	328351004	PLTDHMSANRNDBH-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CCCCc1ccc(N[C@@H](C)C2CCC2)cc1	379039252	NMBIUESYYUCXQC-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)c1csc(C)c1	381390005	NKBWWHGXJBJGOU-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1CCCC1(F)F	381552751	UWHMUVYESHRNQE-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
Cc1cccc([C@@H](O)CCCCCC(C)C)c1	383138031	LVWHJLUKNHZELT-INIZCTEOSA-N	234.383	4.635	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@@H]1CCC[C@@H]1C	383225014	GJCVFMSYXNBQMO-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C[C@@](C)(O)CC2CCC2)CC1	383568576	JPWGCWKDNUWOCM-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1ccc(C2CCC2)cc1	384531117	HKZXPLADGZEEJG-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CC(C)NC[C@@H](C)[C@@H](C)CCC1=CCCCC1	395311119	HAEMZDFEJKBWLB-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](O)(C[C@@H](C)C1CCCCC1)C(C)(C)C	395453422	ZMQWMFVLMQWZCM-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@H](C)CC(C)C	395515791	WWIHUQKPASCXCN-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C1(C)CCCC1	398641212	XFKHWWSEYAIQCG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@H](C)C(C)(C)C)c1	399210309	PMVWGBWUACFVBV-ZDUSSCGKSA-N	246.394	4.750	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC(C)C)[C@@H](C)C(C)(C)C	399304058	KAKMHCDCLFPJMO-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
Cc1scc(C(=O)CCCC(C)(C)C)c1C	399949417	YSWKGLXCEHBUQI-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](N)CC2(C)CC2)cc1	401510704	HJUKSBUIRAZQHK-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNCCCCC(C)C	401960926	NZPUOHLIYWSCIX-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)C1CCCCCCC1	402151720	MMNVSWMAGLQDNM-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CC=CCC2)CCC[C@H](C)C1	402151917	OFOJMQJKSSYDHH-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)CCN[C@H](CCC(C)C)C1CC1	686307816	XZBZYYGIMKMJJZ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)Oc1cc(C)ccc1C=O	686492244	SRDKPXIAFHKESG-AWEZNQCLSA-N	248.366	4.545	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCCCC1CCC1	689071491	WAVYVGANLGIULV-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCCCCNc1cc(C)c(Cl)c(C)c1	690250369	WKENDCBUYUQZMX-UHFFFAOYSA-N	239.790	4.949	0	10	BJAE	
Cc1cc(N[C@@H](C)C2(C)CC2)cc(C)c1Cl	690259292	RHTSYNDINQXICK-NSHDSACASA-N	237.774	4.557	0	10	BJAE	
CC(C)C1CCC(N)([C@H]2C=CCCCCC2)CC1	690413279	MVJWNWMXFLFVRN-CGZBRXJRSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCCCC[C@@H]1C(C)C	691127766	MPZOLHVOKWIHBO-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC3CCC2CC3)c(C)c1	691723459	QGEHTAHYLIEBHA-GPANFISMSA-N	243.394	4.542	0	10	BJAE	
CCCCCC[C@@H](C)NCC1CC2(CCC2)C1	691892905	PRNAWFYQSCYKOF-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)C1CC(C)C1	691964332	SGMVRBXYPIUXMH-IMRCBTMISA-N	245.410	4.507	0	10	BJAE	
CCc1cccc(N[C@@H]2CCCC[C@H]2C2CC2)c1	696103831	JHZUGOOFACDDPR-DLBZAZTESA-N	243.394	4.630	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cccc(C2CCC2)c1	696558590	CWQPYZHHLRGKGB-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1ccccc1Cl	696652840	RQGSDDDGHQECDY-ZDUSSCGKSA-N	239.790	4.556	0	10	BJAE	
CC(C)=CCCCc1cc(Cl)ccc1F	698105509	TVNXAJNLJRCOCM-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cc(Cl)ccc1C	701089635	FXMCEJCNFOKZQA-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCC[C@@H](NC[C@]1(C)CC1(C)C)c1ccccc1	701987478	RBDCSLKVSYRAQF-WBVHZDCISA-N	245.410	4.554	0	10	BJAE	
CCCCCC[C@]1(N)CCC(C)(C)C[C@@H]1C	704463837	WETJTRLZBIKIAH-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](CCCC=C(C)C)CC(F)F	704592513	NNJQXZIOPYIZIC-NSHDSACASA-N	204.304	4.804	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2CCCC[C@@H]2C)CC=CCC1	704836853	ZRNNNBIVQDPZHW-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@]1(N)CCCC[C@H]1C(C)C	704947723	JMOYFFWWKAFFOG-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@](N)(c1ccc(C(C)C)cc1)C1CCC1	705367653	IGHDCTFMADBPRN-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H](C)CC(C)(C)C	709131015	JVJIKXDOUODNNW-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@@H](C)CC(C)(C)C	709233148	DQTUZSUKXKOOOY-OLZOCXBDSA-N	226.404	4.700	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(O)C[C@H](C)C[C@@H](C)C1	709260644	OKKGUVXHMMMMCX-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CCC(=O)c1ccccc1)CC(C)(C)C	709270968	HDKWGDUXWZHEPA-CYBMUJFWSA-N	232.367	4.722	0	10	BJAE	
C=C/C=C/CC[C@H]1CCOC2(CCCCC2)C1	713646958	ROXYBVVXROEQEN-BWPKMQGJSA-N	234.383	4.638	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714427091	XQNGCSJDZKMLBS-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCNc1c(C)cccc1Cl	718621898	GNYFTJVOFGBQIS-UHFFFAOYSA-N	237.774	4.807	0	10	BJAE	
COc1cc(CCC(C)=C(C)C)ccc1Cl	718648382	WJKYDEJGLCPEAY-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CC[C@@H]2CCCC[C@H]2C1	724208827	BRQLJPBUQCFJCX-HRCADAONSA-N	231.383	4.636	0	10	BJAE	
CC(C)=CCCN(CCC(C)C)C1CCCC1	1473127601	IENRGGDRCQZPPE-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
C1=C[C@@H](S[C@@H]2CCCc3ccccc32)CCC1	1613498627	RWJOPJFHOVDXMY-GDBMZVCRSA-N	244.403	4.906	0	10	BJAE	
C1=C[C@@H](SCCCCc2ccccc2)CCC1	1643859513	WSLNBHBPQRELQC-MRXNPFEDSA-N	246.419	4.851	0	10	BJAE	
CCC[C@@](N)(CCC(CC)CC)C1CCC1	1900711879	FZEYQCYVVVGIPL-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CC[C@](C)(N)CC1CCCC1	1900713974	SUFJLAYBJQHYBR-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CC)c1cccs1	1905360993	HXMZVCKQTNQUFQ-JSGCOSHPSA-N	239.428	4.529	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CC)C[C@@H](C)CC	1905384767	XYLYIVWHCVKWAH-SOUVJXGZSA-N	228.420	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1(CC)CCCC1	1905436320	YYGCVPWZDWTHDY-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1(C)CCCCC1	1905450400	OLLXAUQQXFRDOX-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C1CC2(CCCCC2)C1	1912727230	KPUZSEPOXLAARZ-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(N[C@H]2CCC3(CCCC3)C2)ccc1F	1916437450	LPALDXXGECAMHG-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
CCCCC[C@@]1(CNCC(C)C)C=CCCC1	1916607859	AFSMTPZVKRRBIX-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCC1CC(CNC2CC3(CCCCC3)C2)C1	1921231502	NQAGBLMWRBTBIU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)C1CC(CC)C1	1921295493	DECZFBZHXASWPL-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H](C(=O)CC[C@H]1CC1(C)C)C(C)C	1921420275	UKVXDTWWTGHHTP-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CCC[C@](O)(CC[C@@H]1CC1(C)C)C1CCCC1	1921552522	CZOWBDXRWIYTPZ-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](O)CCC1CCCCC1	1923882132	OUZYPNJRADDROA-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H](C)C1CCCCC1	1924093349	JOBUPSZSSXGYCN-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
C[C@@H](C(=O)CCC1CCCCC1)C1CCCC1	1924139068	NOTHQAROBWTGSF-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CCC2=CCCC2)C1	1929820256	WHTDQUKKZAAQHB-NHAGDIPZSA-N	206.373	4.949	0	10	BJAE	
C[C@@H](CC[C@H]1C=CCC1)c1ccccc1	1932593128	PHAMKDRLBGGWOZ-KBPBESRZSA-N	200.325	4.537	0	10	BJAE	
Cc1ccc(Cl)c(NCCCC2(C)CC2)c1	1935932751	UTEVKGWIGGVIPX-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)C[C@@H](C)C(C)(C)C	1940255085	DHONLUHHWYQYNP-CJNGLKHVSA-N	241.463	4.704	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(CC2(C)CCCCC2)C1	1940402056	WZDKCXRNMKEFMH-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CC1(CC2(N)CCCCCCC2)CCCCC1	1940405212	BLWBTSPHSPLEQV-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1CC(C)C1)NCC	1940680958	BGZNRQFXSVQGIN-CKUJCDMFSA-N	239.447	4.617	0	10	BJAE	
CC1(CCCNc2ccc(C3CC3)cc2)CC1	1940882525	KBHPEQMHEOIUGP-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
C[C@@H](CCC[C@@H]1CC1(C)C)c1cccc(N)c1	1940971156	OWRFNGFIXVBGGI-GXTWGEPZSA-N	231.383	4.589	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1C[C@@H]1C1CCCC1	1941428769	CYDPOIAMHXXRMV-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccccc1C1CC1	1941538478	KXSFKCALHUJGOW-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)C1(C)CC(C)(C)C1	1941990098	USPVDQVIZGSOGI-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](Nc1ccccc1C1(C)CC1)C(C)C	1944595903	IMQIIDQEGBXGOL-AWEZNQCLSA-N	231.383	4.585	0	10	BJAE	
CCSc1cccc(NC[C@@H]2CCC[C@H]2C)c1	1944842311	IXWPGMFQKZJOHN-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@H](C)CC(C)C)C1CCCC1	1948325381	BWQNITMGCVRUAS-YCPHGPKFSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCC1CC(C)(CC)C1	1948404562	APBGHRXBCFHVEG-YHNBSYBMSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC1CCC=CCC1)NCC	1948430479	PYZYXDWROCZFER-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC1(C[C@@]2(N)CC(C)(C)CC[C@@H]2C)CCC1	1948980846	CTXMNVUNOPRIAA-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](N)(CC)[C@H]1CCC2(CCCC2)C1	1949429974	VYVQBBFTVKKAIE-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCCC1CCC(N)([C@@H]2CC[C@@H](C)C2)CC1	1949550429	CYAHAEYIWNWVPB-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C[C@H](C)C(C)C	1949864023	IQSMVIQUAGHBHQ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CC[C@H](CC1CCCCC1)NC	1949917860	QGKCWEJWBFARNZ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@H]1CC12CCCC2	1950667196	CLFYQVCHPHGVFU-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CCCC2(C)CC2)CC1	1950922765	CGZWZRTWJRKRMS-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC=CC[C@H](C)c1cc(OCC)ccc1OCC	1951308807	NYIFCQXQLKFUAT-ZDUSSCGKSA-N	248.366	4.554	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N[C@@H]2CCCC23CCCC3)C1	1967700235	VWHJGEMUSLJYOV-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(NCC[C@@H]2CCC[C@@H](C)C2)c1C	1968250726	SBLKBIHUHNDWCE-CJNGLKHVSA-N	245.410	4.932	0	10	BJAE	
Cc1ccc(C)c(OCC[C@H]2CCC[C@H](C)C2)c1	1968307349	INUDUHJUETZMCF-XJKSGUPXSA-N	246.394	4.899	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)c1cscc1C	1976002544	BNNXHKGMBPDUQM-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1cscc1C(F)F	1976003673	PFUHZDHHEZVARH-SNVBAGLBSA-N	247.354	4.512	0	10	BJAE	
Cc1cc(NC[C@H]2CCC=CCCC2)cs1	1978297590	CXCXBDRZJKQTME-ZDUSSCGKSA-N	235.396	4.605	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@@H](C)CCC	1978664906	SRUZCXFRWZHOJB-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
C/C=C/CCC[C@H](N)C[C@H](C)CC(C)(C)C	1984629807	KYNZRPFYLXGTSX-AGKLADILSA-N	225.420	4.523	0	10	BJAE	
C[C@@H](CCCC1CC(=C2CCC2)C1)C(F)F	1985529170	NICUSYRMQAQPCB-JTQLQIEISA-N	228.326	4.948	0	10	BJAE	
FC(F)c1csc(CC2CC(=C3CC3)C2)c1	1985530813	MRHCAORVFCKVBP-UHFFFAOYSA-N	240.318	4.729	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@H](C)C(C)(C)C	1986938638	OTQKNNYFEXSOLU-DZGCQCFKSA-N	227.436	4.602	0	10	BJAE	
CC(C)CCCC(=O)CC(C(C)C)C(C)C	1988303471	UUBVJYUUTJXTKH-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CC=CCCC[C@H](O)CC[C@@H](C)CCCC	1995258435	DOBHZBPPFVABTL-GJZGRUSLSA-N	226.404	4.700	0	10	BJAE	
CCC1(CC)CCCN(CC(C)(C)C(C)C)C1	1995756989	QOBZHAHSUKFZNM-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC[C@](O)(CCCC(C)(C)C)C1CCCCC1	1996549402	VHQAEYIBVVKZMF-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC2CCCC2)CC1	1997107789	DWDIYOAOZAGADG-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CCC=CCCC1	2000002349	WJFJWVYEHBINND-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC[C@@H]1CCCC(C)(C)C1)NCC	2000161321	DTLJXDSWRXDJHL-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2(C(C)C)CCC2)C1	2000194967	KXOQLJVGMNRHAK-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCC1CCC1)C1(C)CCCCCC1	2000320762	AXSRXEOXUGBHTQ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN(CC(C)(C)C(C)C)c1cccc(C)c1	2000899664	DIVPKIRWPKBKEA-UHFFFAOYSA-N	233.399	4.504	0	10	BJAE	
CCCCCC[C@@H](O)[C@H]1CCCCC(F)(F)C1	2003180882	FFFJJYBVLHKVME-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCC(C)(C)CCC[C@@H](O)c1ccccc1C	2003625792	HDSJPKYQCUBYSU-OAHLLOKOSA-N	234.383	4.635	0	10	BJAE	
C[C@H](C[C@](C)(N)C1(C)CCC1)C1CCCCC1	2004818544	ZJKWLIWGGDDNHS-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](NCC2(C)CCCCCCC2)C1	2004936545	AXBUQCROQRJOSN-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCCCC12CC2)C(C)(C)C	2005564670	QHUOPRMRSHXEFZ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C1(C)CCC(C)(C)CC1	2007697317	OWQJHCOXUSYZHI-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCC1(CC)CCC(N)(C=C2CCCC2)CC1	2007962566	ZZQXAJMCBSNJHV-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCC)CC[C@@H](CC)C1	2009626382	FAZKOBFPUGIOND-KEMBLGFASA-N	237.431	4.539	0	10	BJAE	
CC=CCCC[C@@]1(CNC(C)(C)C)CC1(C)C	2009627804	KVCIZHDTHBDXGW-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@](C)(N)C1=CCC(C)(C)CC1	2010742094	GDYDRPFYEUQMLY-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CC[C@@H](CCC(C)C)NCCC1CC(C)(C)C1	2013271980	XNVSRQIGXVZPRI-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H]1c1csc(-c2ccccc2)n1	2014872770	NNAGOLRKJMOXPD-GFCCVEGCSA-N	243.375	4.714	0	10	BJAE	
CCCC1(C[C@]2(N)CCCC(C)(C)C2)CCC1	2015641731	IJWKNFRGZABRSP-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC1(CC)CCC(O)(C[C@@]2(C)C[C@H]2C)CC1	2016309733	BXPPMRSSSIBLAA-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@H]1C[C@H]1CC	2016849556	XIZPFRUVOCYEGN-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)C1(C[C@@H]2CCCCCC[C@H]2O)CCC1	2017117290	UCNQGDVWGOKBPR-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@H](CC1(C(C)C)CCC1)NCC	2017140099	CXSYBKDDEBQHCX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(N[C@@]2(C)CCCC(C)(C)C2)CC1	2017622663	KVOIWSDZNAIPIY-XUJLQICISA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC(C[C@H](O)C(C)(C)CC)CC1	2017651668	XEDIBSFUYVUHMZ-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(C[C@H](N)C2(CC)CC2)CC1	2017722727	RJYZCRDEIGMREA-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@](N)(CC)C2CCC2)CC1	2017729733	ZRCKDMMPUKPXMB-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@H]2CCC[C@@H](CC)N2)CC1	2017736638	YODQXTCVJWEOBT-FJBKBRRZSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](CC)NCC1(CC2CC2)CC1	2018139842	WKCPBMHOHAVKNZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC1(CN(CCC(C)C)CCC(C)C)CC1	2018937952	AEVZUDSDBYHSIY-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCC[C@H](C)CC2)CC1	2018997403	YAZJXFFQKKUDQH-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@H](C)CC(C)C)CC1	2019005966	KSKUALJBEIHBHY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N(C)C1CCC(C(C)(C)C)CC1	2019405713	XGRJHMHCFZIDJX-UHFFFAOYSA-N	239.447	4.712	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCCC)[C@H]1C[C@@H]1C	2022262226	FMABYILNUVOYGH-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H](CC)C1)C1CCCC1	2025594493	CFVBKVWTSVTRCU-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCCC)[C@H]1C[C@@H]1C	2026080273	FGLJHFBTYBZGLU-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@H]2CNc3ccccc3C2)CCCCC1	2027309915	VRMOYKOPNNPVPH-CQSZACIVSA-N	243.394	4.631	0	10	BJAE	
C[C@@H]1C[C@@H](CCCC2(C)CC2)c2ccccc2N1	2027836361	JFIWMXSZXWQGNG-ZIAGYGMSSA-N	243.394	4.945	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)c1ccccc1C(C)C	2028253358	WAXNTCIIAXUUCS-NVXWUHKLSA-N	247.426	4.882	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)[C@@H]1CC1(C)C	2028896842	HADGSMDXUANEQF-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)[C@@](C)(O)c1ccc(C2CCCC2)cc1	2031743815	FZIBPRAJRNIZFM-CXAGYDPISA-N	246.394	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CN[C@H]2CCC23CCCCC3)C1	2033394909	QZIRGZQPQKHCPN-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NC(C1CCC1)C1CCC1	2035404765	RPRNFGIKMVKWJQ-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)cc1F	2035410137	NQKGXDNXVCQRRB-WQVCFCJDSA-N	249.373	4.617	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C[C@@H]1C=CCCC1	2035575834	KOKNITAERPEIQS-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@@H]1CC12CCCC2	2036100755	MUPJZNQWCKPRSB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@@H](N)c1ccc(C(C)(C)C)cc1	2037126294	ZCEZQJYNPPXDGA-DVOMOZLQSA-N	247.426	4.666	0	10	BJAE	
N[C@@]1(CCC2=CCCCC2)CCCCC12CCC2	2037175097	VHOMCNQAUGHULJ-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)[C@@H]1CC12CCCCC2	2039089652	VMXNGLUEZJXZHF-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCC=CCC1)CC12CCC(CC1)C2	2039419848	JJZWMCMRYYGOHJ-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CC[C@H](CC2(N)CCC(C3CCC3)CC2)C1	2040164846	CETLKSZMJYGZKG-VBJONLRCSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1N[C@H](C)C1CCC(C)CC1	2040633328	NSNSTOZIZMLGDR-NPCAHTBFSA-N	245.410	4.876	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@H](N)[C@@]2(C)CC=CCC2)C1	2042019963	SPXGHULXQNTYRU-HMDCTGQHSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)[C@@H]1CC=CCC1	2042022558	SBBKYTDMZZKLJR-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@@]2(C)CC=CCC2)C1	2042086675	ITDKTCGQNJUZTG-HWMZRRJGSA-N	248.410	4.764	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H](c1ccccc1)C(C)C	2045673193	DFCBVFGQHRLDLL-HNNXBMFYSA-N	246.394	4.822	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)C1(C(C)C)CCC1	2045799994	QUULNDVTZCTYPK-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN(CC1CCCCC1)C1CC2(CCCCC2)C1	2046331152	DUPBDUMUZYLPRQ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
FC1(CNc2cccc3ccccc23)CCCC1	2047238990	PVAIIBFSTGYKJD-UHFFFAOYSA-N	243.325	4.534	0	10	BJAE	
N[C@H](C1CCCCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049200332	HLOXOSXPMUMOTD-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
NC1(C2CC=CC2)CCCCCCCCCCC1	2053692759	ZLCLTDAPFGCXPI-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
Cc1cc(C)cc(NCC2CC(C3CCC3)C2)c1	2056730708	NCTSCOVQKLELIH-UHFFFAOYSA-N	243.394	4.542	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)C1(C)CC(C)C1	2060920433	DVHUCMLUJNDDPO-FDVNEVKMSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2ccn(CC34CCC(CC3)C4)c2c1	2065276712	HDGAADIKJBGGEV-UHFFFAOYSA-N	239.362	4.530	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068767814	IZMSCDVMLHZKCY-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H]1C[C@@H]2CC[C@@H]2C1	2068796430	RKZRHCYROOSCTP-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)c1cc(C)c(C)o1	2068908860	FWJMKBQSJFWTAJ-OAHLLOKOSA-N	249.398	4.684	0	10	BJAE	
CCCC1(CN(C)C[C@@]2(C)C=CCCC2)CCC1	2069279429	WVWSACMRGNBNAC-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CCCC1(CN2CCC3(CCCCC3)C2)CCC1	2069281776	BIUSYHQGYBICAA-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCc1ccc(C(=O)C2(CC(C)C)CC2)cc1	2069500486	MQLWBOSABXQHIL-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C1(CC2CC2)CC1	2069517632	OJKYEBUDMURUNJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](C[C@@H]1CCC=CCCC1)NC	2071509446	BQSMSANXZRWBMV-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1(C(C)C)CCC1)[C@H]1CC=CCC1	2071942540	FQUVTXQURQIOGT-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@@]1(C[C@H]2CC[C@H](C)CC2)C=CCC1	2072802733	AOWZDSPFAKUTNR-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CC(=O)C2CC3(C2)CC(C)(C)C3)CC1	2074593948	OHFVFJQADKUIRX-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@H](O)c2ccccc2C2CC2)CC1	2074618332	FDPMFXREOZKXLB-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCC1	2079388159	CNVARDMYZMXEFP-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1cccc(C2CCC2)c1	2079639288	HTFKITFNRDGAKM-ZBFHGGJFSA-N	243.394	4.802	0	10	BJAE	
NCC1(C[C@@H]2C[C@@H]2C2CCCC2)CCCCCC1	2079660929	NQOJUISQICBKRB-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
N[C@@H](CC1CCCC1)[C@@H]1C[C@H]1C1CCCCCC1	2079837778	CDWJISALEPKGFX-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)[C@@H]1CC12CCCCC2	2079841497	JEIQCBBHWARYNA-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H]1C=CCCCC1	2081774520	IXWGKGXYHXAWFL-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CC(C)=CC[C@@H](O)c1ccc(C)c2ccccc12	2081779360	MBRHMXDSMWYYMB-QGZVFWFLSA-N	240.346	4.538	0	10	BJAE	
CCC[C@@H](N)CCCCCCCCC1CC1	2212443509	SRFBCUBTVNWIEL-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@H]1C[C@H](CC(C)(C)C)C1	2213119710	WLLOSIKNWKBYSK-MGPQQGTHSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2213279796	LMSLSLMGBXLNTM-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@H]1C=CCC1	2214992462	NPCYGAGKRXFTHD-LBPRGKRZSA-N	245.753	4.569	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(O)CCCCCC1(C)C	2215234773	YCNLDBHSLPZOLF-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@H]1CC)C(C)(C)CC	2215247659	HENQZHJGWKCUKN-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCCC(C)(C)C)CC1	2215823056	DRDOHUSNGKYLSM-MRXNPFEDSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@]1(CNC(C)(C)C)CC=C(C)CC1	2215836589	BLURWWIWGVONRF-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCN[C@H]1CCC[C@H](C(C)(C)C)C1	2216259105	SFMCEOUJVWWUBO-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](NCC)[C@@H](C)CC)CC1	2216285492	MFGCRZNJZYRLME-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@]1(CN[C@H](C)CC)C=CCC1	2217126271	AHOXKXWIHNEPKQ-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CCC(C)(C)C)C1CC1	2217146068	VXVDWYWFMZABMV-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(N[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218329435	CDYDRGYPPMYOJB-IKIPUTRUSA-N	249.442	4.514	0	10	BJAE	
CC1=CC[C@H](CN(C)[C@@H]2C=CCCCCC2)CC1	2221609342	IPVHXRHNGCTNGM-DLBZAZTESA-N	247.426	4.554	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)CCC2=CCCCC2)CC1	2221634549	ANKNWLWMDAISIQ-DLBZAZTESA-N	247.426	4.731	0	10	BJAE	
C[C@H]1CCC=C[C@@H]1NCCCCCCCC1CC1	2223117947	LKPREJXOWGEWTJ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
Cc1occc1C(=O)CCCCCCCC1CC1	2223133629	YCKNPHYSZLXWLE-UHFFFAOYSA-N	248.366	4.911	0	10	BJAE	
CCCN[C@@H](c1ccc2occc2c1)[C@@H](C)CC	2224129182	CMNIPUXDQBYNLU-BLLLJJGKSA-N	245.366	4.520	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cccc2ccoc12	2224149785	BHEIWQNKLZJUIW-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
c1ccc2c(c1)CC[C@@H](c1cccc3ccoc13)N2	2232410967	SAQMKTWSUPROOG-INIZCTEOSA-N	249.313	4.532	0	10	BJAE	
Clc1csc(C[C@H]2C=CCCCC2)c1	2242276768	CDFVOFWBURTUNM-JTQLQIEISA-N	226.772	4.690	0	10	BJAE	
CCC(C)(CC)C(=O)c1csc(C2CC2)c1	2243499945	CNSSYABLJUUGEE-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC(C)(C)C)NCC	2244779529	DKGSSUWTQRBCDD-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCC1CCCCC1	2244798871	CTFJKDLJPQXVCM-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)(CC)CN(C)CC1(C)CC(C)C1	2246556540	JIBBYTWTVHSBAW-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC(C)C1(C(=O)CC[C@H]2CCC[C@@H](C)C2)CC1	2246667304	XXHKDPSBOXEUAG-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(C(=O)CC[C@H]2CCCCC23CC3)C1	2253794308	PKROKGCOJMCGJI-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1CC[C@@H]1CCCCC12CC2	2253881284	ORTGORMHQLPQOL-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@@H]2CC[C@H]3C[C@H]23)C1	2253913805	GUYGNOCMALUFKP-LFYQSXPISA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@H]1CCC12CCC2	2255022422	GKALAHUSYWWWAV-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CN(CC[C@H]1CCCC12CC2)C1CCCCCC1	2255234825	QRXIDVRWYSKFNL-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@H](C)CCC(C)C)cc1	2256298837	WVEUNTPGTZDAMC-PBHICJAKSA-N	247.426	4.711	0	10	BJAE	
CC1CC2(C1)CC(CCC(=O)CC1CCCC1)C2	2259578974	YPEAMNIEXYFLAG-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C1CCC(CCCNC[C@]23CCCC[C@H]2CC3)C1	2260618330	IRNFFBXSDMUDBF-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@]23CCC[C@@H]2CC3)C1	2260658717	QTFXTYPEOIUNPU-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@](N)(C[C@@]12CCC[C@H]1CC2)C1CC1	2260667777	DBQOHYXQULAIJS-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@H](N)C[C@@H](CC)C(C)(C)C	2298126333	VICLSCFOQWNAIL-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)[C@@H](C)CC1CCC1	2298921836	YACFEQGEYXJEOP-IMJJTQAJSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CNc1cc(C2CC2)ccc1Cl)C1CC1	2300689907	COKKAOXYLZZXNG-SNVBAGLBSA-N	249.785	4.675	0	10	BJAE	
CCC(C)=CC[C@@H](NC)C1CCC(CC)CC1	2300875014	QLUQHRLLXOJJPS-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@@](C)(N)CC(C)C)CCCC(C)C	2300901966	PDRWLWSJMKQOFP-MRXNPFEDSA-N	239.447	4.913	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1NC1CCCCCCCCC1	2300944187	FHBLOJWDQJOGIG-FOLVSLTJSA-N	237.431	4.514	0	10	BJAE	
C[C@]1(C(=O)CC2CCCCCC2)C=CCCC1	2301244002	IFGREBMRBUYYDJ-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(N)[C@H](C)C(C)C)CC1	2301946678	VROUMBKLDFGIDE-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2CCC(C)(C)C2)CCCC1	2302674452	AMKPNSYQDLDFJC-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCc1cscc1N[C@@H](C)C12CCC(CC1)C2	2302881721	BHQSJXQTMMEDGC-BZUNDVKYSA-N	249.423	4.691	0	10	BJAE	
CCc1cscc1NC[C@]12CCCC[C@H]1CC2	2302885373	AQZQKXSAGAMBSA-DZGCQCFKSA-N	249.423	4.693	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303506856	ADPKOZHRRPOOOE-BFHYXJOUSA-N	240.431	4.636	0	10	BJAE	
CCNC[C@@](C)(CC)C[C@H]1CCC(C)=C(C)C1	2303522578	LWMCAFKPCDUPAM-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@@H]1CC[C@@H]1C	2307891474	CKYFYOIHTWPROA-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)[C@@H]1CCC[C@@H](C)C1	2307898321	JINFZVBGLWWAHP-QXSJWSMHSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CO)CC12CCCCC2	2307898631	LRIBGKJSRZTULS-ZBFHGGJFSA-N	238.415	4.536	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](CCC)CC[C@@H]1N	2307902945	NCSUFHLZHBWSEK-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2CCC[C@@H]3C[C@H]23)CC1	2309962477	BBXUPZQDQXUCPH-PEHJNBARSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)CC[C@@]23CCC[C@@H]2C3)CCCCCC1	2310373765	GUMSUCHGBCWMMO-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC(C(=O)CC[C@@]23CCC[C@@H]2C3)C[C@H](C)C1	2310379531	AIQHNQGBKFTRER-GKLJAUDBSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)CC[C@@]12CCC[C@@H]1C2	2310385270	DKGLPFPJWWWLOM-XOSAIJSUSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1CC[C@@]2(C(C)C)C[C@@H]12	2310848442	CBAUKWSPSDYKAT-TWMKSMIVSA-N	249.442	4.536	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)[C@@]12CCCC[C@@H]1CC2	2313305668	YUVSQAHFUXLVGB-ZOMKSWQUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C[C@@]23CCC[C@@H]2CC3)C1	2313322683	MCGPUJANQGNIDX-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC1CC1)c1ccccc1	2313605511	HENAWIJENNLKFK-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCCCCN1C[C@@H]1CC12CCCCC2	2313614471	OPAWIZLKCWFDSR-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1CC(C2CCC2)C1	2316504663	XHQZLCJIYJIJOL-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
N[C@H](C1CCCCCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316791242	MURFYIBFMCESSE-XJNFMUPTSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@H]1CCCCC12CC2	2316885446	MYDBWMMTYLOCJC-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@H](N[C@@H]1[C@@H](C)C[C@H]1C)c1ccccc1	2316951879	FXUZYXLEHREYTL-WTTBNOFXSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2317013688	RWUDMFWLXYXJIR-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)C[C@@]12CCC[C@@H]1C2	2318592821	MUQCBQFPCGVPJE-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C[C@H]2CCC(C)(C)C2)c1	2319023450	DWYIDQZAHZVAPK-ZBFHGGJFSA-N	245.410	4.520	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCC[C@H]2C[C@H]21	2319252006	JGBWTFNMZGJISP-YSVLISHTSA-N	243.394	4.801	0	10	BJAE	
CCCC1(CC(=O)C[C@H]2CC[C@@H]2C2CC2)CCC1	2319500013	KLPRHBSILVTNIQ-GDBMZVCRSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@@H](COc2ccc(C)cc2C)CC1	2320386991	CEZNTWOFADRBAG-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)c2ccc(C)cc2)CC1	2320417858	YWMPSKCRWWDPIS-HNNXBMFYSA-N	242.362	4.704	0	10	BJAE	
C/C=C/CCC[C@H](O)c1cccc(C2CCC2)c1	2320650251	NFQDMGBBTBAXDE-YATRRXNKSA-N	244.378	4.734	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)c1cccc(C2CCC2)c1	2320654695	AGNAFOQBIRZYOS-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC(C)(C)C1)C1CC=CC1	2321633388	YDUYQVSEDBDJKS-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc2c(c1F)NC[C@H](C(C)(C)C)C2	2327672600	GMJYVFZDJQWDPM-GFCCVEGCSA-N	249.373	4.579	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC(C)(C)C2)c1F	2327767387	QKRBSVJKEMXTAL-LBPRGKRZSA-N	249.373	4.940	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(C)c(C)c1	21520655	RMLPLIVNLMDNAD-AWEZNQCLSA-N	219.372	4.684	0	10	BJAE	
CCC[C@@H](C)Nc1cc(Cl)ccc1Cl	21808693	BZQASZQKSQMNQN-MRVPVSSYSA-N	232.154	4.594	0	10	BJAE	
CC[C@@H](Nc1cccc(F)c1C)c1ccccc1	43319458	NKQCZJGRCNNFOA-OAHLLOKOSA-N	243.325	4.697	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cccc3ccccc23)C1	80425596	RZAMZQUMZHYPHT-ZFWWWQNUSA-N	239.362	4.830	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CCc3ccccc3N2)C1	86668666	FQOBALRKVFZQRT-KMFMINBZSA-N	243.394	4.630	0	10	BJAE	
CCCC1CCC([C@@H](O)CC2CCCC2)CC1	87960606	FLDUXQYPQQDMEP-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CC[C@H](CC)C2)CC1	88010369	CERVZWZWSPXUIZ-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(N[C@H](C)C[C@@H](C)CC)CC1	88296971	UTTQZWWWHNMFTH-QRNKSROTSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](O)C2(C)CCCC2)cc1	94906764	YUUGPIJYLVFCGH-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(-c2csc(N)c2)cc1	104584649	CEWOUOMGUJZLCR-JTQLQIEISA-N	231.364	4.511	0	10	BJAE	
Cc1ccc(NCCC2CCCCC2)c(C)c1	107723825	NUFDHVDCOUPKQS-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)C2CCCCC2)c(C)c1	109898741	RLEAIGOJEIWHMQ-OAHLLOKOSA-N	245.410	4.993	0	10	BJAE	
Cc1cc2ccccc2n1CCCc1ccccc1	111550137	SJOBLAJZVAJSSG-UHFFFAOYSA-N	249.357	4.583	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cccc2ccccc12	112887175	SPBQXKDKWSNALH-SUMWQHHRSA-N	242.362	4.700	0	10	BJAE	
CC1(C)CC(NC[C@H]2CC=CCC2)CC(C)(C)C1	124791187	PUGQWXVUKSLXDU-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)c1cc2ccccc2o1	128220717	YGDLUJUGSXZRHS-MLGOLLRUSA-N	245.366	4.520	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCCCC(C)C)CC1	134295079	HGSRHARNFKBVRQ-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](N[C@H](C)C1CCC1)c1ccccc1	137717590	QWMMLMPFIKCXKD-PBHICJAKSA-N	245.410	4.696	0	10	BJAE	
Cc1cc(C)c(-c2ccc(O)c(Cl)c2)cc1C	156764478	OSRGTAIRQZRBNZ-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)c1cccc(C)c1C	162369464	JBNCNRDJVXFUTD-DYVFJYSZSA-N	247.426	4.780	0	10	BJAE	
CC(C)[C@](C)(CNC(C)(C)C)CC1CCCC1	164418229	CAXAPBZIFQUHND-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1ccc(C)cc1C	165792131	GAAOELHPYSNKLB-GOEBONIOSA-N	244.378	4.703	0	10	BJAE	
CC1(C)CCC[C@@](O)(C2CCCCCC2)CC1	167643993	POKMAGWHCGNKLP-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1Cc2ccccc21	167724349	DLSMRYOFYQTPIM-ZFWWWQNUSA-N	244.378	4.502	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)c1cc(C)cc(C)c1	212594262	MDEKFRDYYIFQFR-NVXWUHKLSA-N	247.426	4.575	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@@H]2CCC[C@@H]2C)c1	226800626	YEYHPJDHMJBYGW-XJKSGUPXSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)C1CCCCCC1	229147190	VLUSRJXCVAYGJB-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cccc(Cl)c1C	229617059	DRGJXBXJBSSASU-FZMZJTMJSA-N	237.774	4.639	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(C2CCCCCC2)C1	231012128	STIHKAOMQYTUQJ-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccc(NC2CC2)c(C(C)C)c1	232765095	JDLUPBHCCIQQCN-UHFFFAOYSA-N	217.356	4.508	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1scc(C)c1Cl	233272972	NOGJYSBGZFRAIY-PSASIEDQSA-N	245.819	4.536	0	10	BJAE	
CCc1ccc(COc2cccc(C)c2C)s1	234192347	VSHZGUPJIZXVTO-UHFFFAOYSA-N	246.375	4.506	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@H]2CC[C@H](C)CC2)CC1	253142480	XTDKGWSPEVYBPG-JONQDZQNSA-N	237.431	4.514	0	10	BJAE	
Cc1csc(-c2ccc(C(C)(C)C)cc2C)n1	259268247	LGKAGQHFFHUSQX-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
Cc1ccc(-c2cnc(-c3cccc(C)c3)o2)cc1	260544808	OHWDLEQCBLXFQW-UHFFFAOYSA-N	249.313	4.625	0	10	BJAE	
CCCC[C@H](C)C(=O)[C@@H]1CCC[C@H](CC)C1	300936603	NFRDAASZHWPCKX-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](CNCC1CCCCCCC1)C(C)(C)C	305956900	VZIVCEJRKJMEOL-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](c1cc(C)c(C)o1)C1CCCCCC1	306065106	YJVPNUOVYLQSQB-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
CSc1ccc2cc(S)sc2c1Cl	306789792	YBUCNOPGHWEQJY-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CSc1cc(S)cc2sc(Cl)cc12	307060600	JWMDHDAWDCGQHA-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CCCC(C)C)NC	308041043	BGVDPNFQIYDZCU-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@@]1(C)[C@H](CNC(C)(C)C)C1(C)C	310067248	URFCGTXSMFKFKP-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCC12CCCCC2)C1CC1	313006864	MQSBYWCCMHIROC-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@]1(CC(CC)CC)CCC[C@@H]1C	317699513	DBHJFXNGYNCZJT-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C(C)C)C1(C)CCCCC1	318885711	NFMSOIXHRGBQKL-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCCC1(C)C)C1CCC1	322492576	YXFAFPIRMCBEPG-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](NCCCCCC(C)C)C1CCC1	324926878	TVBJBQJDRPKLBZ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(N[C@@H]2CCCC23CCCC3)CC1	328238192	GOVZGQOURFKOSG-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C[C@@H](C)C(C)(C)C	383353976	FDYIWQOWIIPVNK-HUUCEWRRSA-N	241.463	4.993	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H]1CCCC[C@@H]1C	384519547	JNTBZGZYALFSND-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccc(F)c(Cl)c1	384627606	QWKOZAKAIKWLFY-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
C[C@@H](C[C@@H](O)CCC1CCCC1)c1ccccc1	394161446	YLSBMDDFRHSWMM-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
CC[C@@](O)(CC/C=C/c1ccccc1)C(C)(C)C	395456068	CKENMQUQFBHXBG-JZUUQJBKSA-N	246.394	4.667	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@@H](C)CC(C)C	395515789	WWIHUQKPASCXCN-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCOc1ccc2sc(C)c(C(F)F)c2c1	396247880	QPRDMTDACUYUEU-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1cc(F)cc2cc(C(F)(F)F)sc12	396294244	HFABNDMYHJRWQX-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)CCC2CCC2)cc1	398787280	QTRRLNVLYMCULW-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCN[C@@H](C[C@H]1CC=CCC1)C1CCCCCC1	402147191	LCPOFSSUCWHLNW-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
c1cc2c(cc1NCCCC1CCC1)CCCC2	688394089	JPRUKIHGBCDPLJ-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C1CCCCC1	688962520	COVAPFUDKLTJTH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@H]2CCCC2(C)C)c1	688971703	SFCALUGHBLBHEH-HZPDHXFCSA-N	246.394	4.670	0	10	BJAE	
CC[C@H](Nc1cccc(C2CC2)c1)C1CCCC1	690100368	WQUJCZSHKJKZLV-KRWDZBQOSA-N	243.394	4.945	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@]12CCC[C@@H]1C2	693146170	JSKIGVZYUBEUNX-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@]12CCCC[C@H]1C2	693285999	BMDNCBZWHOEHOO-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](N)c1cc2cscc2s1	694333418	PQZUOOJKBCFPSI-JTQLQIEISA-N	239.409	4.543	0	10	BJAE	
C[C@@H](CCC1CC1)NC1CCC(C2CCC2)CC1	695929125	GNUDZISZHKIWFM-IGEOTXOUSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1cc(C)c(C)s1	696647205	SUDKDYJDCXUDHD-GFCCVEGCSA-N	239.428	4.581	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@@H]1CC2CCC1CC2	704942875	SPXYNPGADZHLLM-HPDBWDTBSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@]1(N)CCCC[C@@H]1C(C)C	704947710	JMOYFFWWKAFFOG-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@@H](C)CC(C)(C)C	709081383	BIDVPISZEJOADZ-OLZOCXBDSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H](C)CC(C)(C)C	709102923	NWCWHVAWXSYDTF-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@H](C)CC(C)(C)C)CC1	709120704	BTJVJZBHMZBKNP-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H](C)[C@]23CCCC[C@@H]2C3)CC1	709153779	JPWNODYMLTUZSQ-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)(C)C)CC(C)(C)C	709205608	RHOQJZZOKLYQDE-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](Nc1csc(C)c1)c1ccc(C)cc1	710712293	ZFYCEGUHIJVSGM-HNNXBMFYSA-N	245.391	4.928	0	10	BJAE	
Cc1cc(C)c(N[C@H]2C[C@H]3CC[C@H](C3)C2)c(C)c1	711044005	ALWFVIYVSZZASS-MUJYYYPQSA-N	243.394	4.602	0	10	BJAE	
CC[C@H](C[C@@H](O)C1CCCCCC1)C(C)(C)C	711183954	YGRBCTZVIPPERR-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@@H](C)C(=O)c1ccccc1)C(C)(C)C	711208378	OKAHDJQRZINGGB-OLZOCXBDSA-N	232.367	4.578	0	10	BJAE	
CC1CCC(C[C@@H]2CC[C@H]3CCCC[C@H]3N2)CC1	712299848	OYFAHFBDIDIUNI-GADNRMJZSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1C[C@@H]2CCCC[C@@H]21	712510771	SQCBJJZHBNTWIE-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)C1CCC(C)(C)CC1	713173006	HDDANSIJZDARQK-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)c1coc(C)c1	718632808	JCRBBDPPNKMMKL-MRXNPFEDSA-N	249.398	4.765	0	10	BJAE	
CC(C)[C@@]1(CNC(C)(C)C)CCC=CCCC1	719059662	YMASRZQDTJFTLS-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)C(C)(C)c1ccccc1	719176454	WORZMLHJJXVIEO-UHFFFAOYSA-N	244.378	4.670	0	10	BJAE	
CC[C@H](CC1CCCCC1)Nc1cnccc1C	720989056	IQPVZBMYDLJIQE-OAHLLOKOSA-N	246.398	4.551	0	10	BJAE	
CCC(C)(CC)C(=O)c1cc2cccc(F)c2o1	721706589	UDBFACXFKGBECA-UHFFFAOYSA-N	248.297	4.581	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cscc1C(F)F	721724628	DUVRBXNSIJVUPR-JTQLQIEISA-N	247.354	4.512	0	10	BJAE	
c1ccc(CSCCCc2ccsc2)cc1	1472971782	VSQYZYMDQZVBQR-UHFFFAOYSA-N	248.416	4.614	0	10	BJAE	
c1ccc(CCCSCC2CCCCC2)cc1	1652622069	JHSUWMXHZPQIKZ-UHFFFAOYSA-N	248.435	4.933	0	10	BJAE	
CCC[C@H](NCC1CCC=CCC1)[C@@H]1CC1(C)C	1660054902	AVATTWKEDXUMOU-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccsc1Cl	1889714311	KUQKYYWGTDCKEB-MRVPVSSYSA-N	231.792	4.638	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1(C)CCCCC1	1905435046	OLLXAUQQXFRDOX-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1ccc(Cl)cc1	1905451413	UQPFHPIZQACNLQ-BXUZGUMPSA-N	239.790	4.556	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C1CCC(C)(C)CC1	1908546952	MCJHGBLVQQICAH-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)CC[C@H]1CCCC(C)(C)C	1916012779	BOPLPLRSSAIUMG-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CN[C@H]2CCC3(CCCC3)C2)C1	1916423622	LTIVJVRHSIGWTI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	1917328504	GOCIUEJIDWSGNY-DPAVQSFQSA-N	243.394	4.801	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1C[C@@H]1c1ccccc1	1919973662	ITENKEADMCJQRJ-ZACQAIPSSA-N	246.394	4.512	0	10	BJAE	
CCCCCC[C@](C)(N)c1c(C)csc1C	1920191846	VHFFZWIVSRSHAI-AWEZNQCLSA-N	239.428	4.509	0	10	BJAE	
CNC[C@@](C)(CCC(C)(C)C)C1CCCCC1	1924105253	ISWXSRYNUCDZRM-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@@H](C)C1CCCC1	1924128088	YJNCYHKRLLDVDX-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(C(=O)C[C@H]2C=CCCCC2)C[C@H](C)C1	1925735186	DMZBPZUMUTXRHW-KFWWJZLASA-N	248.410	4.764	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)[C@H]1CCC[C@H]1C	1925892686	PKDDTGHLRYTGRG-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCC(C)(CC)CC	1936271329	PGYYRLOUQXQEJN-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC[C@H](C)CC(C)(C)C)NC	1939121629	CQSZIPYYCXVXPX-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@](O)(CC2(C)CCCCC2)C1	1940411518	YNUCJZXZKHYOCE-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(C)c1NCCC[C@@H]1CC1(C)C	1940872347	LOGJBULFENMIER-CQSZACIVSA-N	231.383	4.542	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)C1(C)CCCC1	1940884068	QWZFYLRFDNGEBF-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)CC1CCCCC1	1941244289	UZIMVKWLVHUMSF-HZPDHXFCSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CCC(C)=C(C)C)NC	1941267288	PYQQGVROUDLHKS-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCCCC[C@@H](C)NC1CC2(CCCCC2)C1	1941799277	ARAYOHZTDHNLGE-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CCCC[C@H]1C(C)C	1942655361	IITDIWLCSYJAIL-HRCADAONSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCCC1CCC2(CC1)C[C@H]2N	1942916622	LOQCWRFLUQQIKO-HWOWSKLDSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]([C@H](O)c1cccc2sccc12)C(C)(C)C	1945956897	GOEMBQIXFGTDNA-HZMBPMFUSA-N	248.391	4.617	0	10	BJAE	
CCCC1(NCC(C)(C)C2CCCCC2)CC1	1946164297	KOGHNDZXDAIIHR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1C=CCCC1)NCC	1947590638	YAWFYNRIIOCYRB-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCCCC12CCC2	1947879285	BLBVBKBKXJCHGW-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1cscc1C(=O)[C@@]12CCCC[C@H]1CCC2	1948008633	RJPXMASHEWPLIA-SWLSCSKDSA-N	248.391	4.600	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)CC1(C)CCCCC1	1948327353	OVOYOWRZWDHAMJ-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@H]1CCCCC[C@@H]1C	1948328338	ULRPRXSHZUSERF-VGWMRTNUSA-N	239.447	4.616	0	10	BJAE	
CCC1(C)CC(CN)(CCCCCC(C)C)C1	1948406656	CYQLORZDYUCLNV-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2CC(C)(CC)C2)C1	1948406864	GNNCQAAYQZGVKB-ILGZHXLLSA-N	236.399	4.598	0	10	BJAE	
CCC1(C[C@@]2(N)CCC[C@H](C(C)C)C2)CCC1	1948980992	IBQMNTCDUYQNAA-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CCC(C)(C)C1CC1	1949032968	YRXSZMUMAOLDFF-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](N)(CCC(C)=C(C)C)[C@H]1CC1(C)C	1949045267	MXZKQURFILJPFL-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)[C@H](O)C1)CC(C)(C)C	1949677574	JAEMCRIGJBYHFC-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)(C)[C@@H](O)C1	1949678495	LWECEWBJURUQGH-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CCCC2CC2)CC1	1950914384	PHROAEWENYKLTJ-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@@H]1CCCC(C)(C)CC1	1950924093	XPBMCPYVLDQNCF-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NC[C@@H]1CCCCC12CCC2	1967864608	GRUGNUYVNFEVNV-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CC3(CCC3)C2)c(C)c1	1968254503	IMMRXCZXNCFCMS-CQSZACIVSA-N	243.394	4.684	0	10	BJAE	
CCc1ccc(NC2CC(CC)(CC)C2)cc1	1968314086	OXVDOIXJMZSCIA-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
C[C@H](CN1CC(C)(C)CC[C@H]1C)CC(C)(C)C	1970779689	FANYRTFOQUJUIJ-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCC1CCC(CNC2(C3CC3)CCCC2)CC1	1970878139	QXIADNARYOXYHP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1CCCCC12CC2	1972725080	JLESUCDPICUGJN-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)c1sccc1C	1978540489	MSAQXTAUXUUMRQ-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@](C)(CCCC(C)C)CNCC	1978639450	QDGSUKRDOGTWNN-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@]1(C)C=CCC1	1980475207	HBOKOVDNNPCGFW-UKRRQHHQSA-N	222.372	4.518	0	10	BJAE	
Cc1ccc(Cl)c(-c2cc(=S)c(C)c[nH]2)c1	1993669294	OQQBDEMTAYJVOJ-UHFFFAOYSA-N	249.766	4.681	0	10	BJAE	
CCCc1coc2c(C(C)(C)C)cccc12	1995443691	BRIDTUPYOAFMDD-UHFFFAOYSA-N	216.324	4.683	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H](C)C2(C)CCCCC2)C1	1995979285	BHCTWSGIHPEJDB-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](O)C[C@H](C)CC(C)(C)C)C1	1996260075	MGPLJTAUDVUADN-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)C2CCCCC2)CC1	1997116485	KZPSCINYPBJZEE-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H]1CCCC(F)(F)C1	2000019645	GASXMPDMOCASFA-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1CC=CCC1	2000192965	DBDHYIRJLBZMCK-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)[C@@H](C)CCC(C)C	2000292625	DZOIOMPUFCEZTM-SOUVJXGZSA-N	236.399	4.620	0	10	BJAE	
CCC(CC)(CC)[C@@H](CCCC1CCC1)NC	2000332746	LHSCQBZTDOKFSK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@@H]1CCC[C@@H](C)C1	2000904338	FWMRESJEMOTHGQ-GDBMZVCRSA-N	239.447	4.712	0	10	BJAE	
CCCCC[C@@]1(CNC(C)C)CCC12CCC2	2001852404	UNXLWCLJTDEYFQ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](O)CCCC2CCC2)C1	2002978733	KYXPQYYDXDNBCD-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)CCCC2CC2)C1	2002997815	GLROSEDIWCSGPN-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H](C)c2csc(C)c2)CCC1	2006923790	WENJQPGWPXKIMU-ZFWWWQNUSA-N	249.423	4.596	0	10	BJAE	
CCC1CC(CC(=O)[C@H]2CCC[C@@H](C)CC2)C1	2007771181	OPTWVTROLNUQFX-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CC[C@@H](C)CCC1=O	2009412231	WJOJTVDJANQFDC-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@]1(N)CCCCC[C@H]1C(C)C	2009566657	GYSGMGVEOMWCEI-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@@]1(O)CCCCC[C@H]1C(C)C	2009587931	HTKJBCYHVQLAAJ-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@H](N)c1cccc2ccsc12	2009620170	SCFSDTRHCMRSHN-AWEZNQCLSA-N	245.391	4.648	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC12CCC(CC1)CC2	2012809687	HLNYNZAMHLBGER-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1CC(C)=C[C@@H](C)C1	2013528731	NSMHZGPVTZJABQ-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@]1(C)C[C@@H]1C	2016465281	FDKOWAZFBLCYLP-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CC1(C(C)(C)C)CCC1	2017139592	XCVTZZMTOVWKPI-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H](CCC)C(C)C	2017476258	VZHCKFSPXSOSSS-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
C[C@H]1CC[C@H](CC[C@H](N)CC2CCCC2)CC1	2017731726	VBUSSCCJIBYXLM-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
Cc1scc(C(=O)C[C@@]23CCCC[C@H]2C3)c1C	2018632262	SHBSSKQVLYUYES-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(C)C2CCCCCC2)C1	2019200123	GITYHYJNFXRRKX-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@](N)(C[C@H]1C=CCCCC1)C(C)(C)C	2019850123	QNKOGDXIAWRFHM-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC1(C)C[C@](C)(CCCCCCC2CC2)CN1	2022140899	IXPALWBJFPWBPR-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(F)(F)CCCC[C@H]1CCCCCCC1=O	2023351854	CBCUALBYJZJQLZ-GFCCVEGCSA-N	246.341	4.742	0	10	BJAE	
CN[C@H]1CCC(C)(C)C[C@H]1CCCC(C)(C)C	2024120513	WOIFKFGNWCTSEI-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)Cc1csc(C(C2CC2)C2CC2)n1	2026531623	PGBHIMCRUBUCON-JTQLQIEISA-N	249.423	4.635	0	10	BJAE	
C[C@@H](c1ccccc1)c1nc(C2CCC2)cs1	2026544164	JLEXUGOORXAGKM-NSHDSACASA-N	243.375	4.562	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)N[C@@H]1CCC12CCCCC2	2026839364	JUQCJOWZEBWYQL-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C[C@H]1CC=CCC1	2027731822	HPLGFWSSCXEIQW-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1CCc2ccccc2N1	2027836910	NFKVAWPWBFUELX-LSDHHAIUSA-N	243.394	4.630	0	10	BJAE	
CCC[C@H](C)[C@@H]1Nc2cc(C(C)(C)C)ccc2O1	2027859603	GULBSLGNLPWEOI-XHDPSFHLSA-N	247.382	4.551	0	10	BJAE	
C[C@](N)(CCCCCC1CC1)[C@]12CCCC[C@@H]1C2	2028643648	KTNCERBNRQHRHR-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@](C)(N)c1ccc(C2CCCC2)cc1	2031751692	GVYXXHVJRCEHGG-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1N[C@H](C)c1ccc(C)cc1	2035425390	SKAMKCMOKFWQQO-PVAVHDDUSA-N	245.410	4.614	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)c1cccc(C(C)C)c1	2035497021	VCNJHWAWTULAIY-NVXWUHKLSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C=CCCC1)C1CCCC1	2035594341	VGKGCHUQLCOZSI-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)C[C@@H]1C=CCCC1	2035602473	WEKIZLFTOPPXTN-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)C1=CCCCCCC1	2037076094	RPAQGKXKNUDDKV-BHYGNILZSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](CCC1CC=CC1)CC1CCCC1	2038111283	ZHMMHIHSKUGSHJ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCCC(C)=C(C)C)c1ccccc1	2038138529	LFWYQAXIXMXJST-KRWDZBQOSA-N	245.410	4.864	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1C[C@H]2C[C@H]2C1)C1CCCCC1	2038440502	SXXVSVZMHWMYBT-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCCC1	2038623132	RFTRDFCVPNLEEM-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@@H](C)C12CCC(CC1)C2)C1CCC1	2039866313	XIIAEFKCGBPLBD-SMOLVSOFSA-N	249.442	4.514	0	10	BJAE	
CC1(CNC2CCCCCCCCC2)CC=CC1	2042076548	QCOSZRATJFXQIC-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@@H]1CCC=CCCC1	2045332487	PFDRBYUVJDJJIL-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC1(NCC2[C@@H]3CCCCC[C@@H]23)CCCCC1	2048453163	WICVAUZWDYAESY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@@H]2CC23CCCC3)C1	2049496249	RZJMVLNQXKKASA-GDBMZVCRSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)[C@H]2CCC[C@H](C)C2)c1	2049540509	OMLJVBCRKXPHOY-YUTCNCBUSA-N	249.373	4.761	0	10	BJAE	
CN[C@H](CCCC1CC1)[C@H]1CCCCC12CCC2	2053414060	WTJBMMJGMYMARP-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
F[C@H]1CCCC[C@H]1Nc1ccc(C2CCC2)cc1	2055147728	QOBUILQNZFHUMI-JKSUJKDBSA-N	247.357	4.647	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@H]1CC12CCCC2	2056450701	MLFJMMSLOBGSGH-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(CC2(N)CC3(CCC(C)CC3)C2)C1	2056647070	YOFBEQOMHUZQSD-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H]2CCCC[C@H]2[C@H]1NCC	2059251838	CCQHVMBWDHKODW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)C2(C)CCCCC2)CC1	2061093037	VDAOETKOOHMTCL-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C2=CC[C@@H](C(C)C)CC2)C1	2061121234	DSYULWDRBOCECB-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CC(C)(C)C1CC1)C1=CCC(C)(C)CC1	2061143431	KMFSKMOBEPIAMH-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CC(=C2CC2)C1)[C@H](C)CC(C)(C)C	2061727962	DMIFFRZHZDJOEZ-WBMJQRKESA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@](N)(CC2CC3(C2)CC(C)(C)C3)C1	2063204011	LMDMMJRFIHQPDY-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1CC2(C1)CC21CCC1	2064128204	WOWGXLJGVLTMCF-TUBUQKNSSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CCC2)[C@@H]1CCC1(C)C	2068347501	BXNLSFPYKVPJHN-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CC1C[C@H]2CC[C@@H]2C1)C1CCCCCCC1	2068833212	QTWYZUSNUXAVBI-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)[C@@H]2CCC3(CC3)C2)CCC1	2071915467	NSUQHYQESZDYNW-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2cccc(F)c2C)CC1	2072793889	OSTYSQBWUHQBRZ-HDJSIYSDSA-N	249.373	4.762	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCCNC[C@@H]2C)CC1	2072812059	JCVUGEGJGZIJLD-JYJNAYRXSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@@](N)(CC)Cc1cc(C)ccc1C	2073340718	NLLPCGJLUAXICG-KRWDZBQOSA-N	247.426	4.534	0	10	BJAE	
CCCC1(CC(=O)c2ccc(C3CC3)cc2)CC1	2074569303	QQGCNCXGZUYWMH-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N(C)[C@H]2C=CCCCCC2)C1	2074796320	GKOVHKLPYWEXAM-VVLHAWIVSA-N	249.442	4.632	0	10	BJAE	
C[C@H]1CCC(C)(C)CN1[C@@H]1CCC12CCCCC2	2075013752	XBZPLBJHPUGMOQ-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CN(CCC1=CCCCC1)[C@H]1CCCCC1(C)C	2075148038	YUIPDXQNJLADJX-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC1(CNc2ccccc2C2CCC2)CC=CC1	2077263698	BLZXBAPXGRQEIA-UHFFFAOYSA-N	241.378	4.722	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H]1C[C@H]1C1CCCCC1	2079435848	QXNSTNNWPZMQHV-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2079831552	JWVXLYXHZMOISF-FPCVCCKLSA-N	249.442	4.523	0	10	BJAE	
CCCNCC1([C@H]2C=CCC2)CCC(CC)CC1	2081682069	MSQZISMZDYKUPG-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
C1CCCCC[C@@H]2[C@H](CCCC1)[C@@H]2CNC1CC1	2083340321	AKGQSEXKNHSTKV-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@H]1CCC1(F)CCC1	2084766455	FNWMGKFWCNFNGK-STQMWFEESA-N	247.357	4.504	0	10	BJAE	
C[C@@H](CCC=Cc1ccccc1)CC(F)F	2210663295	ZYTSSZNXZJOCCA-LBPRGKRZSA-N	224.294	4.771	0	10	BJAE	
CC(C)CC[C@@H](C)NCCCCCCC1CC1	2213571738	MNKGLNCQRCUTDP-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1occc1C(=O)CCCCCCC1CC1	2213581549	XWYJQVKWQZFPAS-UHFFFAOYSA-N	234.339	4.521	0	10	BJAE	
O[C@@H](CCCCC1CC1)CC1CCCCCC1	2214568565	IPPQDWRLDRPTSW-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1C[C@H]1CCC1(N)CCCCCCCCC1	2215251562	OMNSVIZGZDTXKE-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@](C)(N)C1(C)CCCCC1	2215253022	OAQFTNCKDUXOCW-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1C[C@@H]1CC[C@@]1(N)CCC[C@@H](CC)CC1	2215256801	SDXBLHAIYJTCLA-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](CC1(C)CC(C)(C)C1)NC	2215393819	OGBMRQGYOYQHCA-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(-c2ccccc2C(C)C)c(C=O)s1	2215939313	ANBVKFLXQHIBPE-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
O[C@H](CCCCC(F)F)CCC1CCCCC1	2216458648	SRPVXXDOUXHGDG-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C=CCC1	2218383232	RVCOJFBALLWTEA-HWMZRRJGSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CC[C@H]1CN[C@@H]1CCCC2(CCCCC2)C1	2220609303	VJRUZQYHWRYMFQ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H]1CC(=O)c1ccccc1C(C)(C)C	2220642653	LPRLMHWXWQRWAT-STQMWFEESA-N	244.378	4.603	0	10	BJAE	
CC1=CC[C@](C)(CNCCC2=CCCCC2)CC1	2221639801	GDCSZTQBGUGASR-KRWDZBQOSA-N	247.426	4.603	0	10	BJAE	
CNCCCC(C)=C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222954080	HICXYSFAQIZAMQ-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CCC[C@](CNC2CCC2)(C2CCC2)CC1	2223607633	YODZMOZDSJWRIX-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCCCCN(C)CC[C@H]1CCC[C@@H](C)C1	2246671434	XRCJXTGPLQXQRX-HZPDHXFCSA-N	239.447	4.715	0	10	BJAE	
CCCC1(NCC[C@H]2CCC[C@H](C)C2)CCC1	2246695893	VRJUXVBEGHZNAL-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c(NC2CCC=CCC2)c(C)c1	2249282949	AYXZQIOZHUKDPO-UHFFFAOYSA-N	229.367	4.523	0	10	BJAE	
CCC1([C@@H](N)c2ccc(C3CCC3)s2)CCC1	2250281018	AEUOEHMQTVVWQU-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC12CCC(CC1)CC2	2250351791	GPQRNJNBNTYUID-PWUWZPNHSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@@H](N)CC[C@@H](C)CCCC(C)C)CC1	2250478898	NLBPGGACSPFPQI-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C(C)C)[C@H](C)N	2250526274	BRTCOFFGPPKFOO-HRCADAONSA-N	241.463	4.848	0	10	BJAE	
CCC(C)(C)c1cnc(-c2cccc(C)c2)s1	2252742989	USCVQXOZVXWWID-UHFFFAOYSA-N	245.391	4.806	0	10	BJAE	
CC1(C)CC(C[C@H](N)CC2CC3(CCCC3)C2)C1	2254111120	BGCVFDIKQOBIRN-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC2CC3(CCCC3)C2)[C@@H]1N	2254120819	RRLCSAAZJBLLEH-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)[C@H](C)c1ccccc1	2254606208	FELJZFUNQVFFLZ-LZWOXQAQSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2254936226	RRRPPOFCBMOKBP-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(F)c1NC[C@@H]1CCCC[C@H]1C	2256145050	UDLXFZODUVXLLD-OCCSQVGLSA-N	249.373	4.626	0	10	BJAE	
C[C@H](N[C@@H](C)[C@@H]1CC12CCC2)C1CCCCCC1	2256437965	TWOZRMMRUHKAFB-DZKIICNBSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1[C@H]2CCCC[C@H]21	2257315670	MVJAUNWQAGSFGJ-NPCUJANDSA-N	248.410	4.598	0	10	BJAE	
CC1CC(CCC(=O)c2ccc(C(C)C)cc2)C1	2261515418	YQBKDXINGLRHRI-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCC(CC)NCc1c(C)c(C)c(C)c(C)c1C	2263143313	HKIUZLAIOBUQIB-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC[C@@H]1C[C@@H]1C)NCCC	2298128707	OJDSMESJLHWCNT-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@H](C)CC1CCC1	2298852808	SBKTVQRERCNSIM-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@H](C)CC1CCC1)C(C)(CC)CC	2298872165	XUAAOBCHVITCNX-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@]1(O)CCCCC[C@H]1C(C)C	2300901491	JTRIBGUEJFLGCH-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CCCCC12CCCC2	2300902932	ZHWDHSJFTCBAJP-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)(C)C1CC(N)(CC2CCCCCC2)C1	2301141101	VQUPFTQURPZIQY-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@]1(CN)CC1CCCCCC1	2301144320	CJASGQJAPXXYBT-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H](C)[C@H](C)C(C)C	2301827310	AIJWGWVVPPBXEC-FMKPAKJESA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H](C)[C@@H](C)C(C)C	2301867822	VRJZXBIEDDYDQQ-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
O[C@H](CCCCC1CC1)C1=CCCCCCC1	2302579308	IGPVXDCYWFROIB-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@H](N)CCC[C@@H]1C[C@H]1C	2302608888	NDIXVWFEXCCQFM-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CCc1cscc1NC[C@@H]1CC(C)=C[C@H](C)C1	2302893707	XTZNXKLQGVYTNQ-AAEUAGOBSA-N	249.423	4.715	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303508709	RFFMBSFSDOEMGU-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@H]1CCC(C)=C(C)C1	2303585173	UVGSKDAHHLBGTB-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC[C@@H]2C[C@H]2CC)C1	2303612533	CRCXKXHNPABXBB-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H]1COc1ccc2ccccc2c1Cl	2307639249	WVLHPTJNZNZFBS-JQWIXIFHSA-N	246.737	4.528	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H]1CC12CCCCC2	2307845341	QRJABLCPIXTHAI-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)C(C)(C)CCF	2307909269	SXNFXKIDWHCNGK-ZIAGYGMSSA-N	245.426	4.567	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)CC1CC2(CCC2)C1	2307911418	VLRCQBZKICXWJY-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CC[C@@]12CCCC[C@@H]1C2)CC1CCCC1	2311146874	XSJJKKCNNYJGHC-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(C[C@@H]2C[C@H]2C2CC2)CC1	2311467319	BNQUHMMVAACBTJ-HJWJTTGWSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCCC1	2311609484	CVNZCQRLYBXFPE-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@@]12CCCC[C@@H]1CC2	2313291952	FSUDCLIGQXMFPJ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@H](C)c1ccccc1	2315954406	QQMAUHVOEPGAKR-WBVHZDCISA-N	247.426	4.724	0	10	BJAE	
CC(=CCN1CCCC12CCC2)CCCC(C)C	2316517154	PWKGGFMTQCBFPI-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC1(C)C[C@@]1(CNC1CC1)CC1CCCCCC1	2317015084	FOMBVDOLWRLSTM-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)[C@@H](C)C(C)C)c1	2317825305	WUYJDINSYVQCKB-UONOGXRCSA-N	247.426	4.904	0	10	BJAE	
CC1(C[C@H](N)CCC2=CCCCC2)CCCCC1	2317900838	ITRUGNJRRGVISM-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
C[C@@H]1CC[C@@H](CCC23CCC(CC2)CC3)N[C@@H]1C	2319033307	AGONQUIUQAFHKZ-HLUWQOEYSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@]1(CNC2CC2)CCC(C)=C(C)C1	2320267677	HOEVJYFHGLMMMG-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1=C(C)C[C@@H](NC[C@H]2CCC=CCCC2)CC1	2320373170	OUJCWJRJHLPDQU-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C[C@H]2CCC2(C)C)c1	2320524370	XWTIUNSQTOTHQU-CVEARBPZSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C[C@H](C)c1ccccc1	2328283164	VHXBFKCCEWJPDK-LSDHHAIUSA-N	246.394	4.966	0	10	BJAE	
CCc1ccccc1Nc1ccnc2ccccc12	5317324	LPNGPTPGTUGTPZ-UHFFFAOYSA-N	248.329	4.541	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H](C)CCC(C)C	21809545	XOCPHBCXONRZQY-GJZGRUSLSA-N	227.436	4.616	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1ccc([C@@H](C)CC)cc1	35469060	AJHIWQZGWSPVGS-VBQJREDUSA-N	247.426	4.897	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H](CC)CCCC	82679754	NELQQLTULNJDFZ-GJZGRUSLSA-N	228.420	4.924	0	10	BJAE	
CCCC1CCC(O)(C[C@@H](C)CCC)CC1	83502569	UXBQBDILSHIIDZ-NFOMZHRRSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@]1(O)CCC[C@@H](CC)CC1	83520428	OUXBOMXCUDDKSH-HUUCEWRRSA-N	226.404	4.678	0	10	BJAE	
Cc1cc(C)cc(NC2C[C@@H](C)C[C@@H](C)C2)c1	84462432	PWDGYPLBJXRFGX-MZBDJJRSSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC)[C@@H](C)NCC	84676019	UGJVSOGHCCUUFH-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
Cc1ccc([C@@H](N)C2CCCCCCC2)cc1C	86578863	NRWOWTNEAGXEQB-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
CCC[C@@](O)(CCC(C)(C)C)c1ccccc1	87165707	UUQFVWIZKFHVGJ-MRXNPFEDSA-N	234.383	4.501	0	10	BJAE	
CCCC1CCC(CN)(C[C@@H](C)CCC)CC1	87960827	HCUGZNZQPNHTHF-FHERZECASA-N	239.447	4.748	0	10	BJAE	
CC[C@@H]1CCC[C@H](/C(C)=C/CCNC(C)C)C1	93675541	BTPAYZIGGZHQLJ-HVJILKDESA-N	237.431	4.537	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1CC[C@H](CC)C1	94984866	VLXQSPWDNVCOTI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1ccc(C(C)C)cc1	103940661	VSLIKNZXWLULLW-XJKSGUPXSA-N	233.399	4.636	0	10	BJAE	
Cc1nc2ccc(C(C)(C)C)cc2c(Cl)c1C	103943020	IDKXWUCOESAIBS-UHFFFAOYSA-N	247.769	4.803	0	10	BJAE	
CC[C@H](CCC(C)=O)c1ccc(C(C)(C)C)cc1	107537553	OLXOEKRYQYCOCO-CQSZACIVSA-N	246.394	4.847	0	10	BJAE	
Cc1ccc2cc(C(C)(C)C)c(Cl)nc2c1C	109607171	LNKPQWOZVXWVTM-UHFFFAOYSA-N	247.769	4.803	0	10	BJAE	
CCCCC1CCC([C@H](N)CCCC)CC1	124675138	LVAIFMZDPOJJET-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)CC(CC)CC	128409936	YRPCQRXKIWJOJG-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC(C)(C)C1	129462487	XNPCPNPQHLLNIK-CQSZACIVSA-N	231.383	4.548	0	10	BJAE	
Cc1cc(Cl)c(N[C@@H](C)C(C)C)cc1Cl	132058397	PARVDZPTWYUBDQ-VIFPVBQESA-N	246.181	4.758	0	10	BJAE	
CCCC(CCC)[C@H](N)c1cc(C)sc1C	132911626	IBTWNPAVBZATOU-AWEZNQCLSA-N	239.428	4.581	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1CCCC[C@@H]1CNC(C)C	155625303	XAWFVCFNXFQDMR-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C(=O)[C@H]2CCCCCCCCCC[C@H]12	162331541	CTIBTCIYJOHPPQ-ZNMIVQPWSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC1CCCCC1	165792754	RIYVCYPXOPUXFC-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
CCCc1cccc(-c2ccc(N)c(Cl)c2)c1	232153974	ASUAIOAJPVUOOV-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
CCCCCCNc1cc(C)ccc1Cl	232228321	OTHHJQGEZPVSBK-UHFFFAOYSA-N	225.763	4.641	0	10	BJAE	
CCC(CC)(CC)NC[C@H]1CC(C)=C[C@@H](C)C1	232878052	GQKIQMYIXDJUGY-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C(=O)C1(CC(C)C)CCCC1	233322424	WJWMIALVGFCIQT-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CCNc3ccccc32)C1	233964393	SWJHNGYPLHMMCZ-ILXRZTDVSA-N	243.394	4.802	0	10	BJAE	
CCC[C@H](C)[C@@H](O)c1ccc([C@H](C)CC)cc1	251247850	BKUHSENXJWDQAH-DVOMOZLQSA-N	234.383	4.670	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@@H]1CC1(C)C	300424507	FJWWJCWPCUOZJU-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)C1CCC(CC)CC1	302359341	KUHANJFFXRBWBZ-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCOc1ccc(Cl)cc1F	304232936	BDRKKGIFPVHFPY-UHFFFAOYSA-N	244.737	4.684	0	10	BJAE	
CC(C)Cc1cccc(C(=O)CCC(C)(C)C)c1	305934375	PTSLQOJQUVEOKN-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)C)c1ccc(C)cc1	305946248	MHVPNNUEELFMJU-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
Cc1c(C(F)F)sc2cc(Cl)ccc12	306896088	OPHUFDUICMTMLB-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)c1ccc(C)s1	308050933	GSIBNZMLPGOVEN-GXTWGEPZSA-N	239.428	4.519	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cccc(C)c2Cl)o1	310077916	XLXOIPKSWJWFRL-NSHDSACASA-N	249.741	4.723	0	10	BJAE	
C[C@H]1CCC[C@@H](NCCC2(C)CCCC2)CC1	310190791	ZWENLJOSWVZPRE-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)CN[C@H](c1ccccc1)C(C)C	310579524	ONBDLVMZKDDXMD-RDJZCZTQSA-N	247.426	4.656	0	10	BJAE	
CCC1(C[C@@H]2C[C@H](C)c3ccccc3N2)CCC1	310900057	AYXKENZYELOEIB-KBPBESRZSA-N	243.394	4.945	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@H](C)C(C)(C)C	311046669	HJTOFTSIRMYZQF-XJKSGUPXSA-N	248.410	4.916	0	10	BJAE	
CCCCC[C@]1(CNC2CC2)CCCC[C@H]1C	317538404	CXFAKXUOYKCPDE-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1cc2ccccc2s1	318831072	ZRJQIEBXQILTLZ-PGUXBMHVSA-N	248.391	4.617	0	10	BJAE	
CC[C@H](Nc1ccc(Cl)cc1C)C1CCC1	322398951	REOYZSYNXFTJTQ-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(N)c(S[C@H]2C=CCCCCC2)c1	379831138	AXSZKBUWYSWSFB-ZDUSSCGKSA-N	247.407	4.558	0	10	BJAE	
CC[C@H]1CC[C@@](N)(CCCCCC(C)C)C1	383246159	VUUBJDOQTGEKEN-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCCC1(C)CCCC1	383513355	HCJXDCLYPWPSJY-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)CC(C)(C)C)cc1C	384423163	APODOHBIJANMDA-LSDHHAIUSA-N	247.426	4.779	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)CCC1CCCCC1	384580894	XCNMIACPSNBWCH-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCOc1ccc(NC[C@@H](C)C(C)(C)C)cc1	385372717	CSUIZWOKTGFJKK-CYBMUJFWSA-N	249.398	4.570	0	10	BJAE	
CC1(C[C@H](F)c2cccc3c2NCC3)CCCC1	385959685	OKUCPVZYSUXEPP-AWEZNQCLSA-N	247.357	4.636	0	10	BJAE	
CC[C@@H](N[C@@H](C)c1cc(C)oc1C)C1CCCC1	395647355	WBOOSTTZCCBWNR-BLLLJJGKSA-N	249.398	4.516	0	10	BJAE	
CCOc1csc2c(CC)cc(Cl)cc12	396190322	NFPPXTRQPIDAJE-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1cc2cc(C(F)(F)F)cc(C)c2s1	396204312	XCRAEQZFZBJFHM-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CSc1cc(C(F)F)c(F)c2ccsc12	396234968	HDFXEIRMAXDPDM-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)CC1=CCCCC1	400454283	IBIBTAICEMBVGM-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1/C=C(\CNC1CC1)C(C)C	401740323	IVFXUEUFNGTQHY-QWNIKGHISA-N	249.442	4.537	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)C[C@@H]1CC=CCC1	402148296	MXTDVCHUEGUJIY-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)c2cccc(C(C)C)c2)C1	688939197	XIJSUOCZYZWAAY-CZUORRHYSA-N	244.378	4.819	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1Nc1cccc(C2CC2)c1	690078048	UJAHATBIZDDBNR-MLGOLLRUSA-N	243.394	4.801	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc(C2CC2)c1	690159715	NQPIDOXQPPBXMI-CYBMUJFWSA-N	231.383	4.945	0	10	BJAE	
C[C@@H](Nc1cccc(C2CCC2)c1)[C@H]1CC1(C)C	690165719	ZRGIUEDSPXEZIT-MLGOLLRUSA-N	243.394	4.801	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@H]1CC12CCCC2	691105576	QTZNASKEWFWXLB-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1cccc(C)c1F	691139766	PRAKPRQACHIHTN-UONOGXRCSA-N	249.373	4.905	0	10	BJAE	
CC(C)(C)c1ccccc1C(=O)CC1CC=CC1	692094716	NVXGGSQOSWYQMQ-UHFFFAOYSA-N	242.362	4.523	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)[C@H](C)C1CCC1	692669833	HVRZPIWJMWJJSE-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CCC[C@@H](c1ccccc1)[C@H](CC(C)C)NCC	695080356	WLCBLNVINKHHCX-IRXDYDNUSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)[C@H](C)CC	696642953	BVUCRMRJSFYIIH-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC(C)=CCCc1cccc(C(C)C)c1	698014064	KHKQZHKHWDHTHI-UHFFFAOYSA-N	202.341	4.709	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CC[C@H](C)c2ccccc21	701069798	BMLSAVAMHOBQFA-GUYCJALGSA-N	246.394	4.598	0	10	BJAE	
CC(C)NC[C@]1([C@H]2C=CCCCCC2)CC1(C)C	702215112	MRSCJDNYOAMHFH-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
C/C=C/[C@H](NCCC)c1csc2ccccc12	704672990	VFOXYEOVBJJWDC-RRFAQUSLSA-N	245.391	4.518	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@H]1CCCC[C@@H]1C	704850053	GMHFIKPPEWNTLW-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@@H]1CCCC[C@H]1C	704851477	MESSTEKKAJYJAJ-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C(C1CCC1)C1CCC1	704991108	UEATYRSWQPAQLP-WFASDCNBSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H](Nc1ccc(C(C)(C)C)cc1)C1CC1	705311431	RINHXCTZIFBBMQ-INIZCTEOSA-N	245.410	4.831	0	10	BJAE	
C[C@@H](CCC[C@H](N)c1ccccc1)CC(C)(C)C	709189506	PFDIMVWYLFAADH-HOCLYGCPSA-N	247.426	4.929	0	10	BJAE	
C[C@@H](CSc1ccccc1O)CC(C)(C)C	709232494	CBYXFONMZCMBFE-LLVKDONJSA-N	238.396	4.557	0	10	BJAE	
C[C@H](CSc1cccc(O)c1)CC(C)(C)C	709236236	PBQHXRFEEOQPNF-NSHDSACASA-N	238.396	4.557	0	10	BJAE	
CCC1CCC([C@@H](N)C2CCC3(CC2)CC3)CC1	709977950	POUCAUJQIHGXOE-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](C)Nc2csc(C)c2)c1	710710189	IHULGTJJJJNHMM-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
C[C@@H](C[C@@H]1Nc2ccccc2C[C@H]1C)C(C)(C)C	711155323	DMOLMYXENANUGJ-WWGRRREGSA-N	245.410	4.732	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)C(C)(C)C)C(C)(C)C	711183077	APTJYEBHDSCSJZ-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](C[C@@H](CC)C(C)(C)C)C1=CCCC1	711212717	KYZMLMOZHSEAMQ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C=C/C=C/CCc1cc([C@H](C)CC)ccc1O	713679859	UBQITZJOVHEGEG-KTRBRXNASA-N	230.351	4.581	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1CCC[C@@H]2CCCC[C@H]21	714304434	OQHXEUWQJKZLGE-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CCC[C@H]3CCCC[C@H]32)CCC1	714476249	QUASVHIWWSNLKX-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C(C)(CC)CC	721690316	FGUMJFSFOVNOKR-ZDUSSCGKSA-N	226.404	4.988	0	10	BJAE	
Cc1cc(O)ccc1-c1ccc2ccsc2c1	1240643302	BSHYVSUCCLPLRB-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCC[C@H](CC)SCc1ccccc1C	1473025578	FFONFVDHMSPEFP-AWEZNQCLSA-N	222.397	4.807	0	10	BJAE	
CCN(C[C@@H]1CCCC[C@H]1C)c1ccccc1C	1559640693	BNVNNZGDTPLDDZ-ZBFHGGJFSA-N	245.410	4.648	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NCC1(C)CCC2(CC1)CC2	1875708417	GUSCJIFJAUJEGI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC2(C)CCC3(CC2)CC3)C1	1875708541	IWQGSNDKGQPSOO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(=C[C@@H](C)C(C)(C)C)CNC(C)(C)C	1879350215	QIBASAVQAHZFMN-CYBMUJFWSA-N	239.447	4.639	0	10	BJAE	
CN(Cc1ccccc1)C1CCCCCCCC1	1880409941	VWEXRFMHWGLWND-UHFFFAOYSA-N	245.410	4.621	0	10	BJAE	
BrC=C(C1CCCC1)C1CCCC1	1882672888	WHDBCEMZXKZTSL-UHFFFAOYSA-N	243.188	4.646	0	10	BJAE	
CCC(CC)CC[C@H](N)c1scc(C)c1C	1900700254	HUHFWFNTKLDNDI-ZDUSSCGKSA-N	239.428	4.581	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)[C@@H](C)CC	1900704017	OMQDAMCSZWOYJS-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCc1cccc(CC2CC2)c1	1901880885	GYLSPJBJTFZYGD-UHFFFAOYSA-N	216.368	4.618	0	10	BJAE	
CCC[C@@H](C)Nc1cccc(C(C)C)c1F	1905169801	QAVQASWPVXMJBK-LLVKDONJSA-N	223.335	4.550	0	10	BJAE	
CCC[C@@H](CC)C[C@H](C)CCNC(C)(C)C	1905365442	HOVHXADZAHRMSV-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)CC1(C)CCCC1	1905452404	CRIPUWNKZQOXJW-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CCC)NCC[C@@]12CCC[C@@H]1C2	1908417653	NBGYAZCVWVDWBU-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C1(C)CCCCCC1	1908572170	NKKFSZMHBZLUBA-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC(O)(CC)C[C@@H]1C[C@H]1C1CCCCCC1	1910708541	XRLMIHGTHLEMLV-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC1(N)CCCCCCC1	1910744124	GJLYIJJQMGDXKE-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CC=CCCNC(C)(C)C)C1	1912059544	HFHSBQLPENIERE-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCNCC(=CC1(C)CCCCC1)C(C)C	1912085614	UISZTZIROVHUCS-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
Cc1cc(NC2CC3(CCCCC3)C2)ccc1F	1912709802	BWLTWWMRWQHLTH-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CN[C@H]1CCCCCCCC[C@@H]1CC(C)(C)C	1913411475	BKIDZPALEGENBG-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N[C@H]2CCC3(CCCCC3)C2)cs1	1915855860	UVBHHTZBZNHLRF-ZDUSSCGKSA-N	249.423	4.971	0	10	BJAE	
CCCC1CC([C@@H](N)c2ccc(C(C)C)cc2)C1	1921176192	MYNTXTBPKPXGQS-IMRCBTMISA-N	245.410	4.636	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H](C)C1CCCC1	1924102895	CYORADIMKPRCJR-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)C[C@H]1C=CCCCC1	1925799998	XAWYLUIZXSPLKB-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2C=CCCCC2)C1	1925820754	RHXYIIOTZHPBQY-ILXRZTDVSA-N	206.373	4.949	0	10	BJAE	
CCC(CC)CCNc1ccccc1C1(C)CC1	1926204739	FYFXEIVGOASEJO-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
Cc1csc([C@H]2CCCC(C)(C)CC2)n1	1935226192	OVJIKTISCPECAE-NSHDSACASA-N	223.385	4.525	0	10	BJAE	
CC(C)(C)CC(=O)c1cccc2sccc12	1938286675	AWHFXIVRUALCLE-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CCCCC[C@H](C)NCC(C)(C)C1CCCC1	1940763742	UNNIAUGYSJTSMH-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC(C)(C(=O)CCC2CCCCC2)C1	1941986673	BOCWLTAGAZYPPE-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H](C)CCC(C)C)c1	1942662261	PRUJLFBRTASPRI-AWEZNQCLSA-N	232.367	4.558	0	10	BJAE	
CCCCC[C@H](CC1C[C@@H](C)C[C@H](C)C1)NC	1944201847	FPXKVKXVXLKAJT-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCNc1cccc(C2(C)CC2)c1	1944597526	AIMSLIRVUGNFHE-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
CCCNCC(CC)(CC)C[C@H]1CCC[C@@H]1C	1944848737	HHVMECJSRQVCFA-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCC(C)(C)C1	1945579701	RFCUTIQLCCVWLS-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(O)CCCCCCCCC1	1947866332	MEEBUPKQGNRYLV-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)C1CC(C)(C)C1	1948146944	QGFSIYNWBLNGIR-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C[C@@H](C)CC(C)C	1948984183	TZYNPBUEQLFUMR-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](O)CC2(C)CCCC2)CC1	1950911528	PGEVYUGJVWCOOB-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCC[C@]1(CNC(C)(C)C)CCC[C@H](C)CC1	1950924024	JRUOVTHCTRIVMM-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@@H]1CCC[C@H](C)CC1	1950931485	XEVDDPAIGMGKLQ-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CC(C)=CCC(=O)c1cc(Cl)ccc1Cl	1961398770	HQGWVNRVEIZWOF-UHFFFAOYSA-N	243.133	4.532	0	10	BJAE	
CCc1ccccc1NCC[C@@H]1CCC[C@H](C)C1	1968359666	FGHMQZLPXNQTGQ-GJZGRUSLSA-N	245.410	4.877	0	10	BJAE	
CC[C@@H](C)c1ccc(OCCC2(C)CC2)cc1	1968369620	XCSGXOKLBWROBE-CYBMUJFWSA-N	232.367	4.769	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H]2CCCC3(CCC3)C2)C1	1969006817	XMDITTPGNUYSFS-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(-c2nc(C(C)(C)C)cs2)c1	1970823615	ZXGCTJUIGCSCJO-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
CC(C)(CN[C@H]1CCCC2(CC2)C1)C1CCCC1	1971703505	POXVKAACZSXYEN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC12CC2)c1ccsc1	1972744526	NCDYXVPNNPIXOX-KBPBESRZSA-N	249.423	4.512	0	10	BJAE	
CCCC1(C[C@@H](O)C(C)(CC)CC)CCC1	1988456581	CWZBMJDCDCCHGQ-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1cc(C)c(C)s1	1989984372	NTSGOBDRFQYPKZ-CQSZACIVSA-N	239.428	4.581	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2C=CCCCC2)c1	1990968365	ISAKKXCBPAWLIP-GFCCVEGCSA-N	235.758	4.559	0	10	BJAE	
CCCC[C@H](C)Nc1cc(Cl)c(F)cc1C	1995048845	USOGEXUDHTWFAD-JTQLQIEISA-N	243.753	4.778	0	10	BJAE	
CC(C)C[C@H](C)CN(C)[C@H]1CCCC(C)(C)C1	1995835795	PDACUSXWSRGVAY-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(N)C1(C)CCCCC1	1995987641	KOWDDANGONTMPT-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CNC(C)(C)C)C1CCC(C)(C)CC1	1996594559	NRGKHXLDBZYGHR-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@@H](C)C1CCCCC1	1996613403	QYSQLRNRPALQGZ-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)CCNC[C@H]1CCC[C@@H](CC)CC1	1997216159	TUDCKURQPURZAJ-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@]1(C)CC=CCC1	1997547068	SRXKCQHGAXRZDL-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@@H](O)[C@]1(C)CC=CCC1)CC(C)(C)C	1997585378	FKLVJGLRNHDPBM-IIAWOOMASA-N	238.415	4.556	0	10	BJAE	
CCC(C)(C)[C@@H](C[C@H]1CCC=CCCC1)NC	1999994923	ZQLXSUHLUBGJQL-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC2CCCCC2)C1	2000190038	HMYQHKJIPXPVFX-WFASDCNBSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C)CCC(C)C	2000195602	VKOXPXBMAFDBJX-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C1(CCC)CCC1	2000387464	KWPRHWNUCHCYOB-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CCC(C)=C(C)C)CNC1CC1	2000499344	JGZDWVGKCLURKL-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CN(C)[C@@H]1C[C@@H](C)CC(C)(C)C1	2000899030	VCSXZRPQNCWWSM-UKRRQHHQSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](C)[C@]1(O)CCCCC12CCCCC2	2001604289	QPHCBHBNOFTLIS-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC1(CC(=O)c2ccc(C3CC3)s2)CCCC1	2003179643	QSXVBTZQYTWENE-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CC(C)(C)CC[C@@]1(CO)CCCCC12CCC2	2005578967	FOEIRONKOBUJBD-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](C)C[C@@H](NC)C1	2006621557	UIFDUXXBUNAOPG-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](C=C1CCCC1)NC	2007941833	FHZPZJCQLYVOAQ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](NC)C1=CC[C@@H](C(C)C)CC1	2010714824	AKHZOEYEPXXSRM-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](O)C1=CC[C@@H](C(C)C)CC1	2010716360	FESCWOATQBPQTH-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)C1=CCC(C)(C)CC1	2010727483	XPBFCJCEWAHQKL-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CCC1(O)CC2(CC(C)(C)C2)C1	2010732808	DSZWJBQYNCXIHW-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@H](CCCC2CC(=C3CCC3)C2)O1	2011083345	NINZCHLVCRHGEG-LRDDRELGSA-N	234.383	4.615	0	10	BJAE	
CC(C)(C)C(=O)CCCC1C[C@H]2CCC[C@@H]2C1	2011949033	YZJPUYJQNHUCBQ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@H]1CCC1(C)C	2014857962	GUHGIILLCHRDBU-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1CCC(C(=O)C[C@@H](C)C(C)C)CC1	2015383503	MPBNAFZELTYLJL-WLYUNCDWSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C(=O)CCC(C(C)C)C(C)C)C(C)C	2015390722	PHJJNPMSYQBCIE-CQSZACIVSA-N	240.431	4.946	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCC(C)(C)C2)CCC1	2015641732	IJWKNFRGZABRSP-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@](O)(CC)CCC(C)C)CCC1	2015642565	RRLZGLNFMITDQP-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CC[C@](O)(CC2(C(C)(C)C)CCC2)C1	2017114413	LKGBMQICDCRCOQ-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@H](O)C1(C(C)(C)C)CCC1)C(C)(C)C	2017154705	MJDVYNCVMOVLMG-STQMWFEESA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(C[C@@H](N)C[C@H](C)CC)CC1	2017728610	NLXOTQIYOKEBMV-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CCC1(C(=O)C[C@H]2CC[C@H](C)CC2)CCCC1	2017775756	GFKKRTWCARCPEB-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C1CC1)C(C)(C)C	2018127891	PWKMTPKKYWCXDC-HUUCEWRRSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1C=CCCCC1	2018131528	OROMJXWNHBBFMJ-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@](N)(CC)CC(C)(C)C(C)(F)F	2018133229	BSWLRSMOOHGDMY-CQSZACIVSA-N	249.389	4.746	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCCCC[C@H]2CC)C1	2019181144	IGACSUOLEYLGHT-BZUAXINKSA-N	237.431	4.610	0	10	BJAE	
CCCCCc1ccc(C(=O)C[C@H](C)CC)o1	2021520622	RHRJSZCTFAYDCC-GFCCVEGCSA-N	236.355	4.631	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1C[C@@H]1C1CCC1	2022314697	CGTUCSWGSKZYFT-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CCCC(C)(C)C1)C1CC1	2024100591	DMTXFCWDVPTFMP-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)C[C@H]1CCCC(C)(C)C1	2024127995	IYDLFSVPTPIYRV-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CC1CC(C)C1)NC	2026170321	OSCHELSQSWDNRN-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H](C)c1ccccc1F	2027023477	HIGCIJQZDNOSGE-CQSZACIVSA-N	249.373	4.565	0	10	BJAE	
CCc1ccc(CC)c([C@@H](O)[C@H](CC)C(C)C)c1	2028229079	FQTCGLQTTFKHLG-WBVHZDCISA-N	248.410	4.527	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cccc(C2(C)CC2)c1	2028553940	FKRLXTHKBMCPFC-XJKSGUPXSA-N	246.394	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)c2cccc(C3CC3)c2)C1	2028558439	WNLUWUVTMDCXOF-WFASDCNBSA-N	242.362	4.573	0	10	BJAE	
CCc1ccccc1[C@H](NC)[C@H](C)CCC(C)C	2029822704	FGLFTWWABHWQGU-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CC1(CCN[C@@H]2CC[C@@H]3CCCC[C@@H]32)CCCC1	2034267397	ZNELAARNIUAUSU-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@@H]2C=CCCC2)CCCC1	2035575219	FWAKJQIRNGAXSL-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
CC1(CCN[C@@H]2CCCCC23CCC3)CCCC1	2035889436	VQGHIJZWCXGNRZ-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H]1CCC2(CCCC2)C1	2036771259	MQLDVPXZFVOMIO-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2037159055	IKVAZSBRINYKAU-QBYUYEEZSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1CC1(C)CCCC1	2037225633	WNDRRHQYJCJFIC-HIFRSBDPSA-N	243.394	4.802	0	10	BJAE	
C1CCCC(CCNC[C@H]2CCC3(CC3)C2)CC1	2038582439	HTFSYESFSAHUIB-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N)(CC1(C)CCC1)C2	2038896153	ZZZXWNOAKKZQNZ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C1=C[C@@H](NC2CCCCCCCCC2)CCCC1	2039041239	IVNMDJVSRMFTOV-QGZVFWFLSA-N	249.442	4.968	0	10	BJAE	
CCCC(C)(C)[C@H](NC)c1cc(C)c(C)cc1C	2040723559	LJLXPOMQHBNCLK-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CN([C@H]1CCCC2(CCC2)C1)[C@@H]1CCC(C)(C)C1	2041291872	CNZYRCFJIFBBQW-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2CC3(CCC3)C2)CC1	2041383634	PCMVDGNVNFWDIB-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](NC1[C@H]2CCC[C@H]1CC2)C1CCCC1	2042022029	NMPAOQZYAQMZST-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@@H]1[C@@H](C)[C@H]1C	2043292785	OVHCDYPRXGCOLB-WTTBNOFXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC12CCCC2)C1CC(C)(C)C1	2043536396	ZQFALPISDAGZKY-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@@H]1CC(C)=C[C@@H](C)C1	2045780659	XDWCOXZSYIHZSQ-XOKHGSTOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)CC1CC2(CCC2)C1	2046001234	YVAKVQYSERPRKJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@H](N)C[C@H]2CC23CCCCC3)CC1	2047016745	QSZVBFJWFXJLAT-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NC2CCCCCCCC2)cc1O	2049672872	PRRWTHOWGQIGLX-UHFFFAOYSA-N	247.382	4.616	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@H]1CCC2(CC2)C1	2049844636	CEEKTVUUZNMYFA-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC(C)(C)C1)c1ccco1	2050524534	GAKIOHOEAVLMRF-KBPBESRZSA-N	249.398	4.537	0	10	BJAE	
CN[C@@H](CC1CCCC1)[C@H]1CCCCC12CCC2	2053411496	KDEMZMGUXVJMCH-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
F[C@@H]1CCCC[C@H]1Nc1ccc(C2CCC2)cc1	2055147727	QOBUILQNZFHUMI-HZPDHXFCSA-N	247.357	4.647	0	10	BJAE	
CC(C)(C)CC1(CNC2CC2)CCC2(CC2)CC1	2056521955	DMNKJGIGKOATAC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@]2(N)CCCCC23CCCCC3)CC1	2059184114	QADXOWVCEAUFMD-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
C/C=C/CCC[C@H](N)c1ccccc1C1CCC1	2059262808	PAAQGFCLBHWHIO-YATRRXNKSA-N	243.394	4.700	0	10	BJAE	
CCCC1CC(Nc2ccc(C(C)(C)C)cc2)C1	2059391482	COARGAAFHAUTTM-UHFFFAOYSA-N	245.410	4.975	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)C2(C)CC(C)(C)C2)CC1	2061114877	BXAVXXGNIYMFFV-HIFRSBDPSA-N	249.442	4.523	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C1=CCC(C)(C)CC1	2061146281	FYNSNDZENPNIDH-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)C[C@@]12CCC[C@@H]1C2	2061611098	DUOVDGVIPHZHTD-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC1(c2cccc(CC3CC(=C4CC4)C3)c2)CC1	2061725281	CYVLFRXZFGXJRG-UHFFFAOYSA-N	238.374	4.781	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)C1(CCCC3)CC1	2062010692	YMWAGWZOZPMIPK-UHFFFAOYSA-N	239.362	4.543	0	10	BJAE	
CC[C@@H](NC1CC2(C1)CC2(C)C)C1CCCCC1	2064113352	LOPBLICXLYHTTL-ISXOHVOVSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@@](CN)(CC23CCC(CC2)CC3)C1	2065327441	MDDARRHDYRHYFB-OTBWCIGPSA-N	249.442	4.502	0	10	BJAE	
CCCC1(CC(=O)c2c(C)cccc2C)CCC1	2069281148	SYYGXYXWOLSTKV-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
C[C@H](Nc1ccc(C(C)(C)C)cc1)C1CC=CC1	2070795575	NNNWZVPPIUMXQX-ZDUSSCGKSA-N	243.394	4.751	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@H]1C(C)(C)C)C1CC=CC1	2070807228	IDZRDRNJKJLWQH-IMJJTQAJSA-N	249.442	4.536	0	10	BJAE	
CC(C)C1(CN(C)[C@H](C)c2ccccc2)CCC1	2071923088	YWFDATCGDRAAFX-OAHLLOKOSA-N	245.410	4.506	0	10	BJAE	
CC(C)=C(F)CNc1ccc2c(c1)CCCCC2	2072408715	HSIZRTBMZQWRHD-UHFFFAOYSA-N	247.357	4.631	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(N)CCCC[C@H]2C2CC2)CC1	2072797291	XYDSXQMDQMYUDM-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2CC23CCCC3)CC1	2072882067	RADOFJCYJBVZTC-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@@]12CCCC[C@@H]1C2	2074045618	GEQGTUSMRQNFEN-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@H]2CC23CCCC3)CC1	2074641804	MXZSHZDIINMEGJ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@@H]1CCC12CCC2	2074646254	KMPFGFPGNVNDSW-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCCCN([C@H]2C=CCCCCC2)C1	2074796691	JQLJSDAGBDXJIS-SJORKVTESA-N	249.442	4.778	0	10	BJAE	
C[C@H]1CCC[C@@H](N(C)CCC2=CCCCC2)CC1	2075145315	FNOSBJGLTPMCSS-DOTOQJQBSA-N	249.442	4.778	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2C=CCCCC2)CCC[C@H]1C	2075363777	SUHPHVYTFBBLDO-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2077195796	IURNITMCYFMVDL-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@H](NC)c1ccc([C@H](C)CC)cc1	2079220938	RREOXJKAQRCXHH-OSRSDYAFSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1C[C@@H]1C1CCCCC1	2079530036	NFYAUNDRZVJUNU-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCCC1CC(N[C@@H]2C[C@@H]2C2CCCCCC2)C1	2079536937	ONWVPILYQIXYCQ-OKEQZYBDSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1C[C@H](C)CC[C@@H]1C	2081945834	ACYNEOYNKSLZGN-BFQNTYOBSA-N	249.373	4.625	0	10	BJAE	
CCc1cc(F)ccc1NC[C@]1(C)CC=CCC1	2081954676	IGAAUUOAYHHYLH-MRXNPFEDSA-N	247.357	4.546	0	10	BJAE	
CCCC[C@@](C)(O)CCCCCCC1CC1	2210527785	WDQKPDDBANKJDF-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
Cc1csc(C(=O)CCCC2CCC2)c1C	2210567245	HGAAURYYMHVQDQ-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCC[C@@](N)(CCCCC1CC1)C(C)(C)C	2211111597	ARJOFPMJNJKXMB-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](N)c1sc(C)c(C)c1C	2211699901	CRUCXWPTZJJNSO-ZDUSSCGKSA-N	239.428	4.644	0	10	BJAE	
CCC(CC)C[C@@H](O)c1sc(C)c(C)c1C	2211704711	MQMNTLBXQDEFJB-CYBMUJFWSA-N	240.412	4.533	0	10	BJAE	
Cc1cc(Cl)cc(OCCCCC2CC2)c1	2212530558	FVENDFJYJHTSPN-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213289663	IWVJPRFTJJZRIB-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)n1ccc2cccc(F)c21	2214782961	SJURDVOPKFZIDN-LBPRGKRZSA-N	233.330	4.778	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)CC1(C)CC(C)(C)C1	2215386820	QLAWUTWDQQTECW-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)c2cc(C)c(C)s2)CC1	2215818815	SQJZGRPRUNVLBP-HUUCEWRRSA-N	249.423	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCC[C@@H]2C[C@H]2C)CC1	2215820054	AJWOATZWBSJTRU-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
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CC(C)=CCC[C@@]1(O)CCCCC[C@H]1C(C)C	697630380	QJKOXZVASJUKIU-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@@H](CC1CC=CC1)NCCC	700808824	NHJNAXDIKXEIOT-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](C(C)(CC)CC)C(C)(C)C(C)(C)C	701231930	RCEVPTZFAYDWBK-ZDUSSCGKSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC(=O)C1CC(C)(C)C1)C1CCCCC1	701490327	UHOSPCZWRVGVLL-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@](C)(N)CCC1CCCCC1	704821142	FVJPHIOAASBAQO-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)c1cocc1C	705258865	OHZBEQIQNJPULQ-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
CC(C)(C)C1CCC(N[C@H]2CCCC23CC3)CC1	706955953	KOPFRULBJXODFH-NRXISQOPSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)C[C@@H](C)C1CCCCC1	708322659	AYMWKLQIDPVDBE-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@H](N)C1(C)CCCCC1)CC(C)(C)C	709099830	CYDKKBGFIOHLEI-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CN[C@@H]1CCCCC1(C)C)CC(C)(C)C	709121886	GPWMURSKBXYVQB-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC[C@@H](C)CNC(C)(C)C)CC(C)(C)C	709191908	UVEAWLMSYROGFG-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C)CNc1cccc(C2CC2)c1	709668902	KNWLAJBEGTVARQ-ZDUSSCGKSA-N	231.383	4.658	0	10	BJAE	
CC(C)C1CCC(N)(C[C@H](C)C(C)(C)C)CC1	710750383	BLCCELWUUSMMMN-HLIUYOAVSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(N)C[C@H](C)CC(C)(C)C1	713147245	GNSIXOZRUDGXRW-CZUORRHYSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@H]1NCCC1=CCCCC1	717486992	HDNIQNBQPHJVIQ-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)C[C@H](C)c2ccccc21	718751393	ZIDDFWBTYRIYBJ-WMLDXEAASA-N	244.378	4.518	0	10	BJAE	
CC[C@@H](CC(=O)CC1CC(C)(C)C1)C(C)(C)C	723531692	CNPMTJZTZBJSCN-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](C)Sc1ncc(-c2ccccc2)o1	1613493876	GRUZXOQBSSFYGH-LLVKDONJSA-N	247.363	4.622	0	10	BJAE	
c1ccc2c(c1)CC[C@H]2CCSC1CCCC1	1652424527	CXBOFQFQIQNTTE-AWEZNQCLSA-N	246.419	4.782	0	10	BJAE	
Cc1sccc1-c1c(F)cccc1Cl	1889534826	FOGGSQHIZQGKNR-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)CCC(CC)CC	1900698131	SQNWIFVKIODQSK-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CC=CCCC1(c2ccccc2)CCCC1	1900826957	NUEMUMHZTOBEHE-UHFFFAOYSA-N	214.352	4.855	0	10	BJAE	
CC[C@H](C)[C@H](O)CC=C(C)CCCC(C)C	1900906672	VJBVKKJUXHMKAJ-LSDHHAIUSA-N	226.404	4.556	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1ccc(F)cc1Cl	1901627900	VOTXSCXYQHHOSZ-ZJUUUORDSA-N	243.753	4.572	0	10	BJAE	
CCCCCN(C(C)C)[C@H](C)[C@H](C)C(C)C	1901722714	DFJAWGBKQCQCLV-HUUCEWRRSA-N	227.436	4.568	0	10	BJAE	
CCCc1coc2c(Cl)cc(Cl)cc12	1907221848	ZYDSWYHMCHSAAN-UHFFFAOYSA-N	229.106	4.692	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCC[C@@]2(C)O)C1	1911278329	GCYDSKOIZYASCC-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NCC=CC2CC2)CC1	1911809703	UOLYVJNSZIKYMM-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCNCC(=CC1(C)CCCCCC1)CC	1912079935	SXINPDOOYPRSHE-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@H]1CCC2(CCCCC2)C1	1915857906	NOSBZWCYYPPCOY-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@](C)(O)CCCc1ccccc1	1919972031	FRYPNWKHPTZNMS-KRWDZBQOSA-N	248.410	4.731	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)c1ccccc1C1CC1	1919978680	ZSOYEPBKQZHVKU-DYVFJYSZSA-N	246.394	4.598	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1C=CCCCC1	1925791422	ONLNYPGVELNAAJ-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@H]1C=CCCCC1	1925816563	IIJBIVWCYOLXOV-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCCC1)C1CC(C)C1	1925922658	TWSLFVXBLKUZPH-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(CC)c([C@H](O)CC(CC)CC)c1	1926379159	COUSCKMJTNKXQD-QGZVFWFLSA-N	248.410	4.671	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1cscc1Cl	1928721747	QFXQMBREBJSCKW-SKDRFNHKSA-N	246.803	4.507	0	10	BJAE	
CC(C)c1ccccc1CCC1CC=CC1	1935745260	NLRCQJGKTOVBJK-UHFFFAOYSA-N	214.352	4.709	0	10	BJAE	
C[C@H](CC(C)(C)C)NCC(C)(C)C1CCCC1	1940763946	VYOKBSIEVSQXAL-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C(C)(C)C(C)(C)C	1940873021	ASPNLCUIOLERMS-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CCCCCC2CC2)C1	1941582277	UUOJUDKSPVXNAS-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC1(C)CC(C)([C@@H](O)CCC2CCCCC2)C1	1941979334	CPZZFYOJSKVJAO-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1(C)CC(C)(C)C1	1941981630	HPYYEWACUCEXTH-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C1(C)CC(C)(C)C1	1941985572	LEZXTVQGKGXKGP-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)C1C[C@@H](C)C[C@H](C)C1	1943043699	PLQVXYLGZRBPTK-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H]([C@H](C)CC)C(C)(C)C1CCCCC1	1944632202	QNIHDSQBPYXRDI-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CCC[C@H]2C)c1	1944841945	GDODIEZHYGDEMI-HIFRSBDPSA-N	231.383	4.658	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CCCC2(CCCC2)C1	1946449207	IKAARAQHAYPWBI-OAHLLOKOSA-N	231.383	4.780	0	10	BJAE	
CC[C@H](C[C@@H](N)C[C@@H]1C=CCCC1)C(C)(C)C	1947582322	RNOVAPDYHTVLPL-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
C1CCCCC(NCC2CCCC2)CCCC1	1947882218	XVWSJVNCYWJYDY-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCCC[C@]1(CNC(C)(C)C)CC12CCCC2	1948074912	YVUQZTCCQQPKBA-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1CC12CCCC2	1948103121	VVKKXAXJGZUDFL-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)CC1(C)CCCCC1	1948321136	FMPREHONYWGYFD-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C1CC(C)(CC)C1	1948412149	CYLKNBKLWBMPGI-YHNBSYBMSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CCC(C)=C(C)C)C1	1949044780	ZPTWDHWUFKBTRO-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
CCCNCC(CC)(CC)[C@@H]1CCC(C)(C)C1	1949520470	QNFUJQNDBGTLNJ-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCC[C@H](O)CC1CC(C)(C)C1	1949738444	RBULVCBLNXBOLZ-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CC1CCCC1)CC(C)(CC)CC	1949863675	FQEJOXAASJGZQK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1cc(Cl)ccc1Cl	1959209531	OROANNWIKBIAEO-GZMMTYOYSA-N	244.165	4.594	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NC[C@]2(C)C=CCCC2)C1	1966038870	YUIDRMLZQNIVFC-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](C)CN(Cc1ccccc1)C(C)(C)C	1968225568	OFSNZRNVNWLPQG-OAHLLOKOSA-N	247.426	4.579	0	10	BJAE	
CCC1CCC(COc2ccc(C)cc2)CC1	1968269801	FSNTTZDIVFICHA-UHFFFAOYSA-N	232.367	4.590	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)C1(C)CCCCC1	1975576114	VVHQRRYALZYRPK-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCC(C)(CC)C[C@H](N)c1cccc(Cl)c1	1980684406	GMBPZSXPUYROFW-ZDUSSCGKSA-N	239.790	4.556	0	10	BJAE	
CC(C)CCCCC[C@H]1C(=O)CCC[C@H]1C	1994328717	WOZTYQRBHSLKJE-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(N)CCCC2(CCC2)C1	1997040084	PZFRCWRTASYKAJ-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CC[C@@H](CC)C2)CC1	1997190757	ILLJSIOCGUIOQU-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@H]1CC=CCC1	1997555080	XJKLCIYFJNXYMR-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)[C@H]1CCCC(C)(C)C1	2000032287	LFKZWWNRHSREDP-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CC(C)=C[C@H](C)C1	2000169962	CCBHZTTWHQWHKU-GXTWGEPZSA-N	236.399	4.764	0	10	BJAE	
CCc1cccc(C(=O)C(CC)(CC)CC)c1	2000210589	BKZKDNCNPLDYQJ-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CC1(C)CC1)NCC	2002517132	VYBRKQJOSSFBED-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@]1(CNC)CCCC(C)(C)C1	2002992342	AUDYGVTUUUDPBP-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(C(=O)CCC2(C)CCCC2)cc1	2003655090	QDTOOMFPXALTCJ-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CC(C)=CCC1(O)CCC2(CCCCC2)CC1	2004226727	JIGGCWNPLOQYRW-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C(C)(C)C(C)(C)C	2004234543	RMJNBPBHHKVVBW-AWEZNQCLSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@H](CC(CC)CC)C1	2006622700	GAEPYDKFQLECFO-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC=C(C)C1(O)CCCCCCCCCCC1	2007821263	GLXYPBZVIGWFQH-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H](CC(C)C)C(C)C	2007861576	WLBLAUSTMPTWKW-CVEARBPZSA-N	239.447	4.639	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1N	2009631085	ZYLNMXNLSSYCJT-YVSHFGMPSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](NCC)C1=CC[C@H](C(C)C)CC1	2010721554	ZYUQMFCIACMIBK-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCCCCC12CC2	2011275569	TWZYOKILIIINLC-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)NCC1(C)CCCCC1	2013264849	QJNJCYOXYHAQKS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(F)cc1F	2013265292	VORMRYBFOCTCOL-LBPRGKRZSA-N	241.325	4.592	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@@]1(C)CC=CCC1	2013267828	ULIWBESARNFWRU-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@]1(C)CCCC(F)(F)C1	2014954327	KUJYJCBBDCLGQI-AAEUAGOBSA-N	246.341	4.597	0	10	BJAE	
CC(C)[C@H](C)CC1(N)CC(C)(C)CC(C)(C)C1	2015394005	JXRGNUMNFSZIOA-CYBMUJFWSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C[C@@]1(N)CCCCC1(C)C)C(C)C	2015395696	AWCYKSNEUWIOKQ-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C[C@@H]1C[C@@H]1C	2016852410	QDFWFFAZJNJEAO-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)CC1(C(C)(C)C)CCC1	2017139593	XCVTZZMTOVWKPI-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C)CCCNC)CC1	2017737310	KDIHNIWYVCIEGK-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CCCCCCC2=O)CC1	2017775905	IHXDDLYBWFOHBQ-KKUMJFAQSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CC)Nc1cc(C)ccc1F	2018139864	WSEIQVYOIKXSTJ-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
CCC1CCC(N(C)[C@@H](C)C(C)(C)CC)CC1	2019163174	HKZADGBHTDGMBX-NFOMZHRRSA-N	239.447	4.712	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CC(=O)CC1CCCCCC1	2022561674	XAVXRZDLRPYXHC-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C=C1CCC1)C[C@H](CC)C(C)(C)C	2022685256	CDVALPPGHANZAY-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccc(OCC(F)=C2CCC2)cc1	2023193618	GFWWLHRGVAAEJD-UHFFFAOYSA-N	234.314	4.596	0	10	BJAE	
CC(F)(F)CCCCC(=O)[C@H]1CCC(C)(C)C1	2023345546	HXOLBCQPNFFOPF-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CCCCC(C)(F)F)CC1	2023352155	CUOIKFXSJKTSCO-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H](N)C(C)=CC1CC(C)(C)CC(C)(C)C1	2024092714	UFECIQIFDLOIFR-CQSZACIVSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)(CNC)C[C@@H]1CCCC(C)(C)C1	2024094343	JHUWUADHPVXNDS-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
C1CCC([C@@H]2CCCN2C2CCCCCC2)CC1	2026993795	BHWHHUJOTNZAPE-KRWDZBQOSA-N	249.442	4.754	0	10	BJAE	
CCc1ccc2c(c1)N[C@@](C)(CCC(C)(C)C)O2	2027999293	OTFAZFANPALPCH-MRXNPFEDSA-N	247.382	4.596	0	10	BJAE	
CC(C)(C)C1CCC(=C2CCC[C@@H](CN)C2)CC1	2028114292	FMEZSAPOYBNIEB-JBZHPUCOSA-N	249.442	4.668	0	10	BJAE	
CCC1([C@@H](O)c2cccc(C3CC3)c2)CCCC1	2028548802	HDWBRMQRJGIRIT-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CC[C@@H](C(=O)c1cccc(C2(C)CC2)c1)C(C)C	2028555113	QGRHNCJDABLAHR-OAHLLOKOSA-N	244.378	4.603	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)c1cccc(C2CC2)c1	2028558116	UANXKWSBLUEHSA-LBPRGKRZSA-N	244.378	4.819	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@H](C)c2cccc(N)c2)C1	2031801515	OIICYJXBBYLXLM-LJISPDSOSA-N	245.410	4.835	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)c1c(C)coc1C	2035532250	DSVCNRFECQJWJW-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CC2(C)CCCC2)cc1C	2037104392	LOEKKGDOYJKIEX-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CC1CC2(CCC2)C1	2037978629	BDQBPGQEMXXBOA-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CC2(CCC2)C1)C1CCCCCCC1	2038079194	SGLYMTUQJHVKSU-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(C)c1NC1C[C@@H]2CCC[C@H]2C1	2038622642	ODNLKVGKANNCEQ-GJZGRUSLSA-N	243.394	4.548	0	10	BJAE	
FC1(F)C[C@H]1c1ccc(C[C@H]2C=CCCC2)cc1	2040911257	VIPMXVCSMZKTBJ-WFASDCNBSA-N	248.316	4.708	0	10	BJAE	
C1CCCC(CN[C@H]2CCCC3(CCC3)C2)CC1	2041289652	KFDCCUCTCQODMR-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](c1ccco1)[C@@H]1CCC[C@H](CC)CC1	2041378608	FHAZAZZPSWIDOX-LZWOXQAQSA-N	249.398	4.537	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1ccccc1C1CC1	2042275622	RXIAXOPPHBVKDH-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CCC2)C1)C1(C)CCCCC1	2043608161	VCAXVINFWJFKAO-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1[C@H](CC2(N)CCC3(CCCCC3)CC2)[C@@H]1C	2045656844	FKQIEQHUVXVSFQ-QDMKHBRRSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@@H]1CC12CCCC2	2047019803	LHSVZDPGAXJJGY-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048368603	BDAOBAJZKPQBRZ-LISQQWEMSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC([C@@H]2c3ccccc3NC[C@@H]2C)C1	2048633118	GMBOSZNQECLMSU-VBRUCIBASA-N	243.394	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)CCC2=CCCCC2)C1	2049537906	VSKSUGCENNTQIJ-UAGQMJEPSA-N	249.442	4.811	0	10	BJAE	
C[C@H](N[C@@H]1CCC12CCCC2)[C@H]1CCC[C@@H](C)C1	2049544641	UXOHGPRTTTXJOC-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@@H]1C[C@@H]1C=CCCC1	2049707149	GFPYHORBDVKPHJ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@H]1CCC2(CC2)C1	2049851234	APPFTOAUSDWJSX-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CCC2(CC2)C1)C1CCCC1	2049933562	QEDNRPSIMNOPLY-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCc1ccccc1OCC1CCC2(CC1)CC2	2049949261	XTTQZZLXAZYSBF-UHFFFAOYSA-N	244.378	4.598	0	10	BJAE	
CCCN[C@H]([C@@H]1CCCC[C@@H]1C)[C@]1(C)C=CCC1	2049996583	HUXKCIGVVZEIGA-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC1(C)C)[C@]1(C)C=CCCC1	2050002366	HJFIZBBXFBDYQV-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(CN[C@@H]2CCC[C@@H]3CC[C@@H]32)CCC1	2052307816	JPIBCSZLFAXGIU-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1CC=CC1)[C@@H]1CCCC(C)(C)CC1	2053664424	KYWBTIHMPZIBPY-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@@H]1C=CCCC1(C)C	2055531294	GNJOMRKYKGSBRJ-HRCADAONSA-N	249.442	4.536	0	10	BJAE	
CCC1CC(C[C@@H](O)c2ccc(C(C)C)cc2)C1	2056662950	ZPNSJDUJBGWPAW-MQBCKMQZSA-N	246.394	4.670	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)C=C1CCCCC1	2056918690	BYNONKDYFWBYLS-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CCCCC1CC(N)(C[C@H]2[C@H]3CCCCC[C@H]32)C1	2059494962	GQFKFRAFQVIMDR-JSGMBBGDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)C1=CC[C@@H](C)CC1	2060931018	XBXNYSLZFPOCNU-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C1=CCC(C)(C)CC1	2061139548	GOCGNYRZTOLHGL-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CNCC23CCCC2CCC3)CCC1	2063903277	QUORWQGWDBIIRF-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@H]1C[C@H]2C=C[C@H]1CC2	2066032981	ANLYSBBIUAPOFE-MWDXBVQZSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@H]1CCC1(C)C	2068235636	GUOGFIAUTMKSGC-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2C[C@@H]3CC[C@@H]3C2)cc1	2068702632	ITTIVGWUWCBLOD-RBVVOMGSSA-N	244.378	4.625	0	10	BJAE	
O=C(C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCCCC1	2068710190	IFHAYUISCRNTFE-MKZZRHPPSA-N	248.410	4.742	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@@H]3CC[C@@H]3C2)CCCCCC1	2068770781	FGJXYNOSSKKVKY-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(CC[C@](C)(O)c1ccccc1)C(C)C	2068817189	LBFURZOKLUXMDK-KRWDZBQOSA-N	248.410	4.603	0	10	BJAE	
CCCC1(CC(=O)C[C@@H]2CCC23CCC3)CCC1	2069285234	PNLHNQFSABMNCE-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC(C)CC1(C(=O)c2ccc(C3CC3)cc2)CC1	2069498943	ZBFBVOYOYHVDKX-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CC[C@H](N2CCC[C@H]2C2CCCCCC2)C1	2071964648	LDPPWEQWZHFFCW-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1ccc(C)cc1C	2072418825	JMHADEZCIKNPTF-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C2=CC[C@@H](C)CC2)CC1	2072703049	UQRGKTGHUDYYID-MUIFIZLQSA-N	249.442	4.667	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)[C@@H]1CCCC2(CC2)C1	2073784794	ZBWSKDRCZYFBQP-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H](N2CCCCC23CCCC3)CC[C@H]1C	2074800121	RZKSXAUVGYIJJN-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
C[C@@H](C1CCCCC1)N(C)[C@@H]1C=CCCCCC1	2074811339	UQTRVYONIURXSY-DOTOQJQBSA-N	249.442	4.776	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@H]2CC[C@H](C)C2)o1	2077973861	UMPYSLIPRCZZJA-STQMWFEESA-N	248.366	4.631	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1	2079426368	AMMVAQVPKKBADO-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](O)c1ccc(C(C)C)cc1	2079555327	UUOZWYALICMBMP-IXDOHACOSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2CCC23CCC3)C1	2082978370	GPCLNUZVOCCNTD-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCCCc1ccc(NC[C@]2(F)C[C@@H]2C)cc1	2085465002	YTPPPRWAQHGYIC-XJKSGUPXSA-N	249.373	4.579	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(Cl)cc1CC	2212645924	ZPNFVEWYCCPWHL-ZDUSSCGKSA-N	239.790	4.893	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC[C@@H]1C[C@@H]1CC)NC	2215253683	OVHNMPFHSISWCS-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CC1(C)CC(C)(C)C1	2215399543	WZMPTAYUZDSGOH-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CCC1(C(=O)CC2(C)CC(C)(C)C2)CCCC1	2215434889	VLYXHHJDMXLHEV-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)c2cccc(Cl)c2)CC1	2215823454	JIUGWPVCRRVQLC-OAHLLOKOSA-N	248.753	4.659	0	10	BJAE	
CCC1(C[C@@]2(O)CCC[C@H](C(C)(C)C)C2)CC1	2216255518	DPXIBWWEUWWICR-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN([C@H]2CCC(C)(C)C2)C1	2218154596	CEVQMFGLRILFCP-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218376095	YLQARZTXPASVPN-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@H]1CC12CCCC2	2218727688	VXMBNZJWRJCVLS-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)CC1(C)CC2(CCC2)C1	2221040623	PFVVUCXIVRKTOP-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@]1(C)CC=C(C)CC1	2221609719	MBJJANUVYUARTG-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2222983367	YALULEYVXGELFK-NPJQDHAYSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)C1[C@H]2CCC[C@H]12	2223110237	NGSWJVMQODDJJR-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CCCC(C)(C)C)N2	2224128197	RJEJDCNMUGPPCU-HNNXBMFYSA-N	245.410	4.938	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)[C@H](C)c1ccccc1	2224175910	IWFRUKHYJPDESP-YCPHGPKFSA-N	244.378	4.576	0	10	BJAE	
CN[C@@H](CCCC(C)C)c1ccc2occc2c1	2224186106	CXEFHUXNLSINPG-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
Fc1ccc(CC2=CCCCC2)c(F)c1Cl	2243236306	GRSPMYHIRVMHKJ-UHFFFAOYSA-N	242.696	4.661	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)CCC2(C)CC2)C1	2246656129	JJRXSNZWNLNJDQ-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@H]2CCC[C@@H](C)C2)C1=O	2246692486	KVUPDVAUIBIUNN-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1(C)CCCCC1	2247176972	SXHLASNYBDYARD-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@@H]1CCC1(C)C	2247311085	BCQHKKPCNQKBFB-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CCC(N)(CC2=CCCCC2)CC1	2247492958	JUUSZEZHWADPLU-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H](CC)C(C)C	2247531884	PHCMSIVORZNHPA-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
C[C@H](SCC1=CCCCC1)c1ccc(N)cc1	2247545597	MBNRAYBRKYZQST-LBPRGKRZSA-N	247.407	4.563	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1CC(=C2CCC2)C1	2250351196	ASQQDIZWVWCHKD-ZDUSSCGKSA-N	234.383	4.662	0	10	BJAE	
CCCCCC[C@H](C[C@@]12CCC[C@H]1CC2)NC	2251157517	ISIZKWGHJCQYIH-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C[C@@]12CCC[C@H]1CC2)NCCC	2251174186	DTKURHRJGNHJPC-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@]12CCC[C@@H]1CC2	2251205800	RHLAUBWTZMOCFW-IIAWOOMASA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(C[C@]2(N)C[C@H]3CCCC[C@@]3(C)C2)C1	2253683093	IRSNJYWWQGBOEO-QTPCEWDRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)C[C@H]3CC[C@H](C3)C2)C1	2253997861	SDIPJJUFXWGRAL-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCC1CC2(CCCC2)C1)C1(C)CCCC1	2254082259	MMRIQQVIGPVBJL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@@H]1CCC12CCC2	2254974734	QYEVXBYQTKWBBM-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2254979802	RRRPPOFCBMOKBP-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CN(CC1=CCCCC1)[C@H]1CCC12CCCCC2	2255056830	OLAPPJOFOQJAOA-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CCC1(C)CCC(N[C@@H](C)[C@@H]2CC23CCC3)CC1	2256440597	UAEANXJTBLYAOK-UIDBIOKJSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)[C@]12CCCC[C@H]1CC2	2260505261	GXNNEGVAKHFXSX-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@]12CCCC[C@H]1CC2	2260525358	UTITXQMTODQBTD-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@]23CCCC[C@@H]2CC3)C1	2260622758	MAGOTIDPFCLDMG-VVBDHPJYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@@]23CCCC[C@@H]2CC3)C1	2260638493	NPJATVQPFJWOES-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](c1cccc(C2CCCC2)c1)C1CCCC1	2260729606	FHSPOSXHFYEVFS-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCCCCCNCc1cccc(C(C)(C)C)c1	2261360884	BOLRCQNDVDVGBA-UHFFFAOYSA-N	247.426	4.654	0	10	BJAE	
CCC(CC)CC[C@H]1CNC2(CCCCC2)C1	2300699767	IHXKZHMZSSVXAF-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@@H]1CC[C@@H](CC)C1	2300700972	ONACLDFPRMHHOJ-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CCC(CC)CC)CNCC(C)C	2300702491	YFCQXFARDQKWJF-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)CCC(C)(C)C	2300910311	YIDILPIDACGBFU-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N[C@@H](C)C1CCCCCC1	2301829167	NMRAPYKNQLTTCT-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
C[C@@H]([C@@H](N)CCCC1=CCCCC1)C(C)(C)C	2302348657	FRGGVESTTZRYMP-ZFWWWQNUSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@H]1CCC(C)=C(C)C1)NC	2303593995	BGPOESLTACEJGC-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@H]2CCCC[C@H]2N)C1	2304415855	NJHDBLIZXBZDDA-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](c2nc([C@H]3CC34CCC4)cs2)C1	2304509937	HVTPRHUYYYWIHO-GRYCIOLGSA-N	247.407	4.704	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC[C@@H]1CNC(C)C	2307827317	WVJZSBFFGKFGQI-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)CCC1=CCCCC1	2307901112	HPXPVFQLJNIKBB-HOCLYGCPSA-N	237.431	4.811	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)[C@]12CCCC[C@H]1CCC2	2308259204	BFWKDGZJIDSHJP-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309487547	DWGZOWKFKJKEDH-DLXPNOHRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312956151	RYLVUFWWOUXZFY-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@H]1CCNc2ccc(F)cc21	2316271537	RFBGIEASCXPUKG-ZDUSSCGKSA-N	249.373	4.941	0	10	BJAE	
CC(=CCNC[C@]12CCC[C@@H]1C2)CCCC(C)C	2316488122	BDGQWYXAXJGHHY-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
CC(=CCNC[C@H]1CC12CCC2)CCCC(C)C	2316490108	JRNOLLZHSDYOMS-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2316534720	CIQWTHMKDJMMES-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CC(=CC[C@@H](N)[C@H]1C[C@@H]1C1CC1)CCCC(C)C	2316565503	ZAMGGDPPDQZQSH-IXDOHACOSA-N	249.442	4.523	0	10	BJAE	
O=C(CCC1CCC1)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316879158	RCZKBQSXLBCUDD-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1CC(CC2CC2)C1	2316880991	MGJHTCXTQVUUMM-OFLPRAFFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](c1ccccc1C)[C@H](C)[C@@H](C)C(C)C	2317827891	OKHQOPLVINZCJV-UXLLHSPISA-N	247.426	4.574	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)C1CC2(CCC2)C1	2318541850	VADXLSFVYKFGKY-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)C2CCCCCC2)CC1	2320341896	YATWCXBDJAIDJM-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1CC	2320399632	XXXCPCRMPPRBEN-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H](C)CC2CCCCC2)CC1	2320418223	AGXQAHIOKYDURE-DOTOQJQBSA-N	249.442	4.824	0	10	BJAE	
CCC(C)=CC[C@@H](NC)c1cccc(C(C)C)c1	2320514115	FPJVGADOWOCMCK-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](N)(CC1CC1)C1CC1	2320629667	WEIBJPOIQKESEZ-UKPHBRMFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1cc(C)ccc1C(C)C	2327674520	ALYXAEYVQKAWOY-YOEHRIQHSA-N	247.426	4.815	0	10	BJAE	
CCC[C@H](CC)CN1CCC[C@H]1c1ccc(C)o1	2328097917	QCIAFGLLBKSITQ-GJZGRUSLSA-N	249.398	4.551	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1C[C@@H](C)CC(C)(C)C1	20018892	BIQCUALRBLRZRA-BXUZGUMPSA-N	249.373	4.761	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cc(F)ccc1C	22145871	ZQWMHPQOUXSKAO-SMDDNHRTSA-N	237.362	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@@H](C)c1cc2ccccc2o1	37070836	YZJPZYNDIQVYIS-XQQFMLRXSA-N	245.366	4.518	0	10	BJAE	
CCCCCC[C@H]1CCCC[C@@H]1NCCC	71084061	MHJUTLPQROYOQO-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC[C@H](O)c2ccccc2)C1	80479501	MTQNKHWMJNOAHL-INMHGKMJSA-N	246.394	4.717	0	10	BJAE	
CCCCCC[C@@H](CCCC)NC(C)C	86315589	JEXFAJZQCMOZOK-CQSZACIVSA-N	213.409	4.514	0	10	BJAE	
CCCCCCOc1cc(C)c(N)cc1C(C)C	87465387	KFZCSVDKYVEULU-UHFFFAOYSA-N	249.398	4.660	0	10	BJAE	
CCCCCC[C@@]1(N)C[C@@H](C)CC[C@@H]1C(C)C	103933640	NIDOXEUCKIIKQZ-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)N[C@@H](c1ccccc1)C(C)C	109944230	KTRYVKXVHZBJKN-JKSUJKDBSA-N	233.399	4.552	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)[C@H](O)CC(C)(C)CC2	110269805	SDVBESPOKGJCNV-BLLLJJGKSA-N	246.394	4.596	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCCC(C)(C)C)CC1	123936039	XDYWXHWQSDZZIA-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCCCCCC[C@H](CC)C(=O)OCC	147517280	UDEZGTDHQDQCRV-AWEZNQCLSA-N	242.403	4.716	0	10	BJAE	
CCCCCC[C@@H](NC)C1CCCCCCC1	158283920	TWUFZROMHMRYGH-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
Cc1cccc([C@@H](O)C2CCCCCCC2)c1C	158914608	CLJLUCOZBFVHPP-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
N[C@H](C[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCCCCCC1	159003534	LLFPQGGXRLORPU-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CCCCC1CCC([C@H](N)CC2CCC2)CC1	167113582	RYFCABXEXCKHNZ-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H](O)c1csc2ccccc12	167629975	KVMOHXYFQJNJRX-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H]1CCC[C@@H](C)C1)CC(C)(C)C	168957180	PPZRBPWXRTTXJI-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C1=CCCCCC1	203425753	KXLSREWTOIPDFP-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1C[C@@H](C)CC(C)(C)C1	216295019	QJVAEGMISDDVGF-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@@H]1CCC12CCCCC2	230172412	ALPORBPUNKNMBG-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@@H](C)C(C)(C)C)C1	230774888	QDKXGTDFSUFXEN-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCC[C@@H](CC(C)C)C1	230788668	YFPKRLCENJKLJL-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cc(C)ccc2Cl)C1	232230144	GPCYZTJPZXHUHM-NEPJUHHUSA-N	237.774	4.639	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2cccc(C)c2C)C1	235681579	QUFPGOCRJAOCTK-WBMJQRKESA-N	243.394	4.708	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1sccc1Cl	301015218	ZMCSIYCRFUVOLS-MWLCHTKSSA-N	246.803	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C(C(C)C)C(C)C)C1	304402831	OKYVGSIWHPQCIJ-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(Nc1ccc(Cl)cc1F)C(C)C	304541617	NNPVWVRLZWIIPQ-UHFFFAOYSA-N	243.753	4.572	0	10	BJAE	
C[C@](CCC1CCCCC1)(CNC1CC1)C1CC1	305908176	DMLQFIXOTMWCNA-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)c1cc2ccccc2o1	305998301	KJXIZDHQYXWOBH-BLLLJJGKSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)c1ccc(C)cc1	306001300	KWCOZYGUUUDDRG-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CC(C)CNC[C@@H]([C@@H](C)CC(C)C)C(C)(C)C	306105572	SDDGLHNHAGUBJP-GJZGRUSLSA-N	241.463	4.577	0	10	BJAE	
Cc1ccc(F)cc1C(=O)C[C@H]1CCC[C@H](C)C1	310963137	HBCCJPGTPPUVLF-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CCc1cc(N[C@H]2CC[C@@H](CC)C2)ccc1C	379767542	KZXPKSBYUNWPGU-HIFRSBDPSA-N	231.383	4.548	0	10	BJAE	
CCCC(CCC)[C@@H](CC1(C)CCCC1)NC	379973202	HIWCHRKITLSLSV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1	381321090	XYDVIOZCAXADKY-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@](C)(CCCCCC(C)C)C(C)C	383291261	QXZUREZVMNEUSO-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H]2CCC[C@@H](C)C2)c1	383694605	RFNRLSKAWBUWAT-IUODEOHRSA-N	232.367	4.509	0	10	BJAE	
CCCNC[C@@H](CC)CC1CCC(C)(C)CC1	383885981	KQWHWWGLYXDHMI-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](Nc1cccc(SC)c1)C1CCCC1	387493728	ZVCRXHQIYKFFII-OAHLLOKOSA-N	249.423	4.789	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1[C@@H](O)c1ccc(C(C)C)cc1	387824678	MXJIBKGSXKMTDF-ZACQAIPSSA-N	246.394	4.526	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCC(C)(C)CC(C)C	391159585	AXSRINQQJDIKCJ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1([C@@H]2NC[C@@H]2C2CCCCC2)CCCCCC1	394654031	AQPJGMTWEAMTOO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NCC(CC)(CC)CC	395144891	KXNFGBGGPUIFNE-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CSc1cc(C)c2sc(C(F)F)cc2c1	396399510	BNPYLQYBNWTHIM-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCC[C@H](NCCC=C(C)C)c1ccccc1	397786289	YSRDKMFIJKIFCF-KRWDZBQOSA-N	245.410	4.864	0	10	BJAE	
C[C@@H]1CCC[C@@](CCCC2CC2)(CNC2CC2)C1	405946347	CHYYLWNRWMJYAE-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC(=O)C[C@H](C)CC1(c2ccccc2)CCCC1	686735761	VMRFVVJVBCLIBZ-AWEZNQCLSA-N	244.378	4.504	0	10	BJAE	
CCCC1([C@H](O)[C@H]2CCC[C@@H](CC)C2)CCC1	686921755	LTICVVDBDUBKPR-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](CCCC1CCC1)NC	688404051	KGFJOTAGIJUDEU-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CCCC1CCC1	688413768	SWIBUIIVCXTRNV-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H](CC)C1CC1	690189182	NKXSTQHVZLBRHW-MRXNPFEDSA-N	245.410	4.720	0	10	BJAE	
CCc1cc2cc(C3CCC3)ccc2nc1Cl	690304476	LAVOFXJJQQIJPD-UHFFFAOYSA-N	245.753	4.718	0	10	BJAE	
CSc1cccc(N[C@@H]2CCCCC[C@H]2C)c1	691104194	OMUIJXAIDTXEQN-IUODEOHRSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@]23CCCC[C@@H]2C3)CC1	693545471	IMHPFZUMTCHFOX-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC23CCCC3)cc1C	694350464	LNPYAISTLGASKO-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
CCc1ccsc1[C@H](N)CCC(C)(C)CC	696648529	ZCOSLZMJKWOSBM-GFCCVEGCSA-N	239.428	4.527	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cccc2ccccc12	701121919	JZPWLVHLXUYYMC-INIZCTEOSA-N	241.378	4.666	0	10	BJAE	
CCN[C@H](C(C)(CC)CC)C1(C)CCCCC1	701160431	VSBLGSNUCZWYKO-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H]([C@H]1CCCC1(C)C)C(C)(C)CC	701180812	QSQFRFTWJSKEID-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](Nc1ccc(C2CCC2)cc1)C(C)(C)C	702312109	IWOUJXQZIRTXDZ-LBPRGKRZSA-N	231.383	4.801	0	10	BJAE	
COc1c(C)ccc(NCCCCC(C)C)c1C	703978652	HBIMHIKXYDZULQ-UHFFFAOYSA-N	249.398	4.550	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C(C)C)C2CC2)c1	705332970	COZFWJVUFCOYGA-INIZCTEOSA-N	231.383	4.657	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@@H](C)CC(C)C	708282484	KJZMWGKXEQOUHK-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C)c([C@](C)(O)C[C@@H](C)C(C)(C)C)c1	710795234	ARJDLZVLSPTYNX-RHSMWYFYSA-N	248.410	4.583	0	10	BJAE	
CC[C@H](CC(=O)C1CCC(C)CC1)C(C)(C)C	711186284	FZIYIFXRKPNXHX-JXQTWKCFSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@@H](N[C@@H](C2CCCC2)C2CCC2)C1	711832681	OVIQXGZOZCWXLU-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CC(C)(C)CC[C@@H]1C	713008659	JZTPJSQTMHWOKC-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCCC(C)(C)CC1	713148312	ZSUOUWDUJMRBOW-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)[C@H]1CC[C@H](CC)CC1	713254889	HNGAUKYJBKFHAW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)c1ccccc1C	713734697	LIGCVOHZDQQSKK-DKRLNXSXSA-N	243.394	4.558	0	10	BJAE	
CC(C)=C(C)CC[C@H](C)CCNC(C)(C)C	718497777	VQJOGDBPTHOTFD-ZDUSSCGKSA-N	225.420	4.537	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)c1ccccc1C	718514507	RUNBVYUZWJRZIC-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CCN[C@H](CCCC(C)(F)F)C(C)(CC)CC	718676009	KFVNAYQLGABMEY-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1csc2ccccc12	723129778	WYYCXFIQXQVEOY-QWRGUYRKSA-N	244.359	4.520	0	10	BJAE	
CC(C)CCC[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	723616687	XQWKPTIIHJADAF-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1cccc(C(C)(C)C)c1	821963411	NITXDQCZYCFIKL-CJNGLKHVSA-N	247.426	4.681	0	10	BJAE	
CCC(C)(C)[C@H](C)NCc1cccc(C(C)C)c1	1307923145	DWKIAZQJCNCZOS-AWEZNQCLSA-N	247.426	4.724	0	10	BJAE	
CCCC[C@H](C)[C@H](C)NCc1cc(C)cc(C)c1	1474640926	HFEVBNIBZGHKEU-HOTGVXAUSA-N	247.426	4.608	0	10	BJAE	
CC(C)N(CCC(C)(C)C)[C@@H](C)c1ccccc1	1653773486	GKHBTFWPQJUYDR-HNNXBMFYSA-N	247.426	4.894	0	10	BJAE	
Cc1c(Cl)cccc1O[C@H](C)CC1CCC1	1899377250	KBVIFBOBFVFKQI-SNVBAGLBSA-N	238.758	4.606	0	10	BJAE	
CCc1cscc1N[C@H](C)C1(C)CCCC1	1902377335	SPLZKBJGESASLG-LLVKDONJSA-N	237.412	4.691	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)C1(C)CCCC1	1905383986	VJMXOVBJWWHTIQ-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1CC2(CCCC2)C1	1912596316	ICJDTEJRWZEPCD-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H]1CCCCCCCCC1=O	1913380619	MLUHDLFBXKYLFJ-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
C=CC=CCC[C@@H]1CCCCCCCC[C@H]1O	1913391042	MVLYBEKBVPYULB-HZPDHXFCSA-N	236.399	4.620	0	10	BJAE	
CC(C)(C)CC[C@@]1(O)CCC2(CCCCC2)C1	1915851238	DCKGKUXFAQRDNE-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CCCC2)C1)c1ccsc1	1916420779	BAMCJLDERKUGDV-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H]2CCC3(CCCC3)C2)C1	1916430862	OCHOMWZMAPDWJY-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CCCC1(F)F	1919944603	SPPDDLQYUAWVMF-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCCc1ccccc1[C@](O)(CC)C[C@@H](C)CC	1920000607	SOVUTNHAJDGCQD-YOEHRIQHSA-N	248.410	4.673	0	10	BJAE	
CCCC1CC([C@@H](N)CCCCCC(C)C)C1	1921259844	RAAVJQGLOXPJSO-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)C1CC(CC)C1	1921261632	LEMANIWAIQWEET-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](C[C@@H]1CCC[C@H](C)C1)NC	1926373059	YTKCXKVOIBXAAL-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1csc([C@@H]2CCC(C)(C)C2)n1	1930907080	FOLVOVMHGUSMPN-SNVBAGLBSA-N	223.385	4.560	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@H](CC)C(C)C	1936194699	FHJOHKSYHLYNDI-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CC1(C[C@@H](O)CC2CCCCC2)CCCCC1	1940406795	HGIGWBSFSRIGLX-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCCC(CCC)[C@H](CC1CC(C)C1)NCC	1940682720	LNSZTLDDYKSJNZ-XUJLQICISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1ccc2sccc2c1	1941264528	MJMSZBXGMYNSGB-UKRRQHHQSA-N	247.407	4.583	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H](CC)C(C)C	1941273453	SCFPXIRVSFVYFZ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)C(C)(C)CNCCCCCC1CC1	1941581290	IYVQXMNLPSYEDP-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)([C@@H](C)CCC(C)C)C1	1942659193	RCGTXCFXTDAZQA-XHSDSOJGSA-N	239.447	4.604	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1cccc2ccsc12	1944640029	CHMAPSGJWQWVGD-UHFFFAOYSA-N	246.375	4.766	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)C(C)(C)C(C)C	1944668178	KWOPQGMPCUVRTB-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC(C)(C)C1CCCC1	1945381716	HLALUSRHZAFKLY-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C=C1CCC(C(C)(C)C)CC1)CN	1945794930	MJVZZVGCHDTDQV-MLCCFXAWSA-N	237.431	4.524	0	10	BJAE	
C1=C[C@@H](Cc2ccc(C3CCC3)cc2)CCC1	1947553086	VBKOCSXODDOFOQ-CQSZACIVSA-N	226.363	4.853	0	10	BJAE	
CCCC(CCC)N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1947858673	WVVSVYCWQMASDZ-FOLVSLTJSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H]1CCCCC12CCC2	1947879522	CEXAWEIETPQYAL-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCC(F)(F)CC[C@@H](O)C1CCCCCCC1	1947889830	CFWUFHVFQMSLFU-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCC(F)(F)CC[C@H](O)C1CCCCCCC1	1947889831	CFWUFHVFQMSLFU-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)NC1CCC(C)(C)CC1	1948328175	SRSNLFZDZSFJHC-ZIAGYGMSSA-N	239.447	4.616	0	10	BJAE	
CCC1(C)CC([C@H](N)CCC2CCCCC2)C1	1948407237	LZZGHDCUXKFVSA-HWOWSKLDSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CCCC1(C)CC1	1949052120	AXCTVVCKUQJFCE-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCCCC[C@H]1C(C)C	1949088477	VUXRZODNMMSJDT-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CNC2(CCCC2)C1	1949543279	KOEGCJBUUFETHE-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)C(C)(C)C	1949824145	VBDYNYGFLIKBOV-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
Cc1cscc1NC1CC2(CCC(C)CC2)C1	1950545089	GBOFYGFHPQMYMS-UHFFFAOYSA-N	249.423	4.827	0	10	BJAE	
CCC(C)(C)CCC1(N)CC2(CC(C)(C)C2)C1	1950989275	PRWBFOODYALHFD-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
Cc1sc(Cl)nc1C1CCC(C)(C)CC1	1958173829	CVVPWWYBTMYGHN-UHFFFAOYSA-N	243.803	4.789	0	10	BJAE	
CC1(C)CC[C@H](NC[C@H]2CCCCC23CCC3)C1	1967864765	IZSAKJJGYNPYEG-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1cc(O)cc(-c2ccccc2C2CCC2)c1	1970562905	CTJWYHHTFWDVFM-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1CCC[C@H](C)C1	1978428165	HJVZHQRXYUYEDN-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)[C@@H](C)CC	1978650496	ACKRCWRWOGSBRS-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
C/C=C/CCCC(C)(C)CCNC(C)(C)C	1984632165	JSZAQSZZUONTCW-BQYQJAHWSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@@H](CC)CCCC	1984636321	YFHMVSCBCOGDLI-YKHJJTLOSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NC)C(CC)(CC)CC	1984649632	OYYABZKAZAZYMO-XYYIANASSA-N	225.420	4.537	0	10	BJAE	
CC=CCCCc1cccc(C(C)(C)C)c1	1994228464	PEBMWHBUOYJZER-UHFFFAOYSA-N	216.368	4.883	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC(C)C)NCC	1995263511	RQQDMSRVVMJQIL-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2(CC)CCCCC2)C1	1995691275	KTHKCGVBFDWDNN-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCCCCC[C@H](CC[C@H](C)C(F)F)NCC	1996088928	HJQPILWMBRIIMR-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](C)CCNc1ccccc1SC1CC1	1996538820	VAILUHCGMDCVJE-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CC(C)CCCCCN[C@H]1CC[C@@H]1CC(C)C	1998746432	SZKFJCRQTYZMMR-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@H]1CCC=CCCC1	1999988960	VMIATCVQLGSOJC-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)[C@H]1CCCC(C)(C)C1	2000042891	WVQWYZLMNCQEFQ-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)C2CCCCC2)C1	2000059874	UMLCZBAPROFRCI-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CC2(C)CCCC2)C1	2000182726	SPHCZWVQZRCSPJ-GXTWGEPZSA-N	234.383	4.518	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@H]1CC12CCCC2	2001254706	KMRCXJXDOQFIHN-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H]1CCC12CCC2	2001843799	ITWREJOTTBWEQY-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@@H](C(F)F)C(C)(C)C	2002433929	AQRZLNDMNLVOQV-QWRGUYRKSA-N	248.357	4.555	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)CCCC2CC2)C1	2003016041	GLROSEDIWCSGPN-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H]1CCCCCCCC1=O	2003073865	DXANGUAOXCYNDI-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](O)CC(C)C)CC1	2003101589	XQOFBXQDIQMSEI-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CCC2(CC2)C1)NCC	2003222133	UZWLFANVOJDDHJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CC[C@@](C)(O)C1CCC(C(C)C)CC1	2004226941	KFBCLLOOHIUCLV-UYSNPLJNSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(C)C[C@@H](O)[C@H]1CCCCC12CCC2	2005598144	AVBQXAABWSIARV-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@@H](C[C@H](C)CC(C)(C)C)C1	2006629971	VAQBBKYRZYDNDK-AJNGGQMLSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@H](C[C@@H](C)CC(C)(C)C)C1	2006629972	VAQBBKYRZYDNDK-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCCC(C)=C1C	2006973486	WTOVGXHKIBHSJT-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CN[C@H](CC=C(C)C)C1(C)CCC(C)(C)CC1	2007694264	HAMKMEGQUSUZPG-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@]1(N)CCC[C@@H](CCC)CC1	2009569381	OJNSYTXVAOCCHO-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
C/C=C/CCC[C@H](N)c1csc2ccccc12	2009574208	AVUTZKDYGXTIBX-HSWBROFVSA-N	245.391	4.648	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@H]1CCCC(C)(C)CC1	2009619904	PKUCDKMGSAMSRM-WFVIONGDSA-N	237.431	4.667	0	10	BJAE	
CCCCCC1CC(N)([C@H]2CCC(C)(C)C2)C1	2009785498	GHGWMNAXVSNGPY-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C1=CCC(C)(C)CC1)C(C)(C)C	2010714287	HMWQARNUUZUMSD-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C[C@H](O)[C@@H](C)CC(C)(C)C)C(C)C	2015282902	ZKKAEYSDNQEROP-ZFWWWQNUSA-N	242.447	4.738	0	10	BJAE	
CCCCN(C[C@H](C)C(C)C)c1ccccc1	2015337574	AKHHCFIPRKCCGG-HNNXBMFYSA-N	233.399	4.585	0	10	BJAE	
CCCC1CC(N)(CCC(C(C)C)C(C)C)C1	2015360762	LOJNDOHAUAFKAK-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@H]2C[C@H](CC)CCC2=O)CCC1	2015596007	PCZRIXGIVNJJTM-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC1(C[C@](C)(O)CC2CCCCC2)CCC1	2015599222	IHFQLDDLJYJTOR-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC1(C(C)(C)C)CCC1	2017139016	QIPZGBVUUDGBPE-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCCCC[C@@H]2O)CC1	2017716051	PKJNPHQEGSNPRC-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CC[C@H](C)CC1)NC	2017724021	LXOCECFYQRVXGA-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@H]1CC[C@H](C)CC1)NCC	2017724787	OGZPPUSSQHJKPO-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCN(CCC(C)(C)CC)c1ccc(C)cc1	2019377401	RGIPRUAPWHOYQZ-UHFFFAOYSA-N	233.399	4.648	0	10	BJAE	
CCc1ccc(N(C)[C@H](C)CCC(C)C)cc1	2019406846	LPNRLFXLWJWYHQ-CQSZACIVSA-N	233.399	4.510	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCCC[C@@H](C(C)C)C1	2019408511	GJZSJEPXRUTJKV-HZPDHXFCSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@H]1[C@H](CC(C)(C)C)CCCC1(C)C	2020352180	QDSIXNVRCYKHLA-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCN(C[C@@H](C)CC(C)C)C1CCCC1	2020535199	CRCHTWGAMJAPLA-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)CCCCC(C)(F)F	2023345780	KERBEERRJBGBQX-OLZOCXBDSA-N	249.389	4.602	0	10	BJAE	
CCC(CC)[C@H](C[C@H]1CCCC(C)(C)C1)NC	2024096862	WHEBSFGGTCZZPR-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC(C)(C)CC[C@@H]1NC	2024125524	UEQYGLXTIZKHNX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CCN[C@H](C)CCC=C(C)C)C1	2025367219	SFYTTYFXGLWAHN-QQFBHYJXSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC[C@](CCCC2(C)CC2)(CNC2CC2)C1	2027820064	GEAHZIVFXGDMQL-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC1(CCCN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	2027838083	WNUUTNXVEQEIKB-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1cccc(CC(C)C)c1	2028227197	AKNHRSISWKDTEL-SJORKVTESA-N	248.410	4.601	0	10	BJAE	
Cc1cccc([C@@H](O)[C@@H](CC(C)C)C(C)C)c1C	2028234093	CISAHNGCBVQXCM-DLBZAZTESA-N	248.410	4.655	0	10	BJAE	
CC1(C)CC[C@@H](CN)[C@@H](CC2CCC=CCC2)C1	2028875902	RONRIYFWKNKLIW-HOTGVXAUSA-N	249.442	4.524	0	10	BJAE	
CC[C@H](CNc1ccc2ccccc2c1)C(C)C	2028988174	QYGNHSBJGIEPEU-CQSZACIVSA-N	241.378	4.934	0	10	BJAE	
CCC(CC)C[C@@H](N)c1ccccc1C1CCC1	2029071050	RIEAMZKNQCMSOI-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CC[C@H](Nc1ccc(C2(C)CC2)cc1)[C@H]1C[C@@H]1C	2032243464	VPRPVCROANMFSQ-RCBQFDQVSA-N	243.394	4.585	0	10	BJAE	
Cc1cccc(C(=O)C(C)(C)C2CCCC2)c1C	2032295526	IOYIOOCHBPDGOL-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@H]1CCC1(C)C	2033578269	UWIHWORRKFNHQV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)C[C@@H]1CCCC[C@@H]31	2034144475	ITOPRQFSPJNLFL-QWHCGFSZSA-N	239.362	4.615	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@@H]1CC(C)=C[C@H](C)C1	2035404270	PAMYTIXNSAIZPL-LLLHUVSDSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCCC1)c1c(C)coc1C	2035533236	TYRHSCADBJCMDQ-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)C1(C)CC(C)(C)C1	2035593050	OSISDSZIEVQPKX-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@H]1CCC[C@H](CC)C1	2035594649	UXKFJLMCOHFNPI-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
Nc1cccc(NC2CCCCCCCCC2)c1	2035895080	YIYDPAJLKHMKLQ-UHFFFAOYSA-N	246.398	4.574	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H]1CC12CCCC2	2036092829	DKZXBUPYXIQQJV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2CC23CCCC3)CC1	2036103474	DDTIQXIWQAHONZ-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2036317734	HFYLMCOCGBRBHD-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)Nc1ccc2[nH]ccc2c1	2036383880	PXRZTMHUYBRVIB-QWHCGFSZSA-N	244.382	4.651	0	10	BJAE	
N[C@@]1(C[C@@H]2CC=CCC2)CCCC12CCCCC2	2037160240	XDNWJALVJWWNEK-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
N[C@@]1(C[C@H]2C=CCCCC2)CCC12CCCCC2	2037273882	CWDYCIBCAJYLTJ-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)CC2CC3(CCC3)C2)CC1	2038088491	UXRUNRFGGROYJS-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC1CC2(C1)CC(C)(C)C2)C1CCCCC1	2039460128	LXQQPANLYUWEGI-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CC[C@@H](C)C2)c(C)c1	2040137940	LEBZAGXBFQYAOH-IAQYHMDHSA-N	244.378	4.621	0	10	BJAE	
CCCc1ccc(NC2[C@H]3CCC[C@H]2CC3)cc1	2042047589	LQPINOWVTHQEQK-GJZGRUSLSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC1(C2CC2)CCCC1	2042946270	CLPYNCZUNAAMKT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H]1C=CCCC1	2043188115	RBISWNPQTQGVRS-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@@H]1CCC2(CCC2)C1	2043615301	MAPFDULOWDBNIP-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)[C@@H]1CCCC(C)(C)C1	2045364971	HKUQNGQWJUOWDF-ZBFHGGJFSA-N	246.394	4.553	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C[C@@H]1C=CCCC1	2045811815	AHKJUTNXCXRPMG-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC[C@]1(C[C@H]2CC23CCCC3)CCCCCN1	2047021188	VBLRZZWLZKRXRH-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC12CCC2)CC1(C)CCC1	2047940531	VTSXUMGCSYPHMV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC12CCC2)CC1(C)CC1	2048883843	YQEZVJPRJKPXPF-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2CCC[C@H](C)C2)c(F)c1	2049539805	JHZREXNUJXXBFE-IACUBPJLSA-N	249.373	4.761	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@@H]1[C@H]2CCCCC[C@H]21	2049704313	MFEZKDXQJVDXAL-CAOSSQGBSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CCC=CCCC2)CCCC1	2049805617	AXCZIRQYJGTKNL-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@@H]1CCCC2(CC2)C1	2049846350	RWSZKLUHHYULRU-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)C[C@@H]2CCCC3(CC3)C2)CC1	2049859676	QWQOMHYEQWEPRH-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@H](C1=CCCCC1)[C@@H]1CCC[C@H]1C	2055273195	ZWQGNFWSZOLYRI-DJIMGWMZSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(C(=O)[C@H]2CCC[C@@H]2C(C)C)c1C	2056447513	CHLOSMIDKODFMM-ZBFHGGJFSA-N	244.378	4.558	0	10	BJAE	
CCC1(CNCC2(C)CCC3(CC2)CC3)CCC1	2056535313	ARJCVPPTSVKQDU-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C/C=C/CC1(CNC(C)(C)C)CCC2(CC2)CC1	2057059302	BRBQDZFZFOBYTB-AATRIKPKSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](NCC2(C3CC3)CCCC2)C1	2057604567	SWSZRDRAQLLEEK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@]3(C(C)C)C[C@H]23)cc1C	2058562031	IYICHGFBLNTGNE-BRWVUGGUSA-N	243.394	4.540	0	10	BJAE	
CCC1=CCC[C@@]1(N)C1CCC(C(C)(C)C)CC1	2058724714	FCLJHBCNJUNDNY-DQPZFDDXSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@H]2C=CCCC2)[C@@H]1CC	2058729723	ZPMZYLWAUFPNFY-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CC(N)(CC2CC(C3CCC3)C2)C1	2058828943	BLHQFVGVPYJVEP-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCN1CCC[C@H](C2CCCCC2)C1	2059207057	LKFNZBGKTXXOBL-YATRRXNKSA-N	249.442	4.635	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1CC12CCCC2	2059265899	AZXRUYYIRWLSHS-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@]1(C2=CCC(C)(C)CC2)CCCCCN1	2061087707	HPLPCSODZDSTHM-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1CCC(C)([C@@H](N)C2=CCC(C)(C)CC2)CC1	2061095294	MFLUSLSKEQKUSY-GULBITTBSA-N	249.442	4.667	0	10	BJAE	
CCC1CC([C@H](N)C2=CC[C@H](C(C)(C)C)CC2)C1	2061099981	SXJZTXZPRFJKQN-DISOXQEGSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@H]2CCCCCC2=O)CC1	2061192542	QBOZXXKRJGXTKN-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@]23CCC[C@H]2C3)c1	2061607469	QWEKDUNANJRQLV-DOTOQJQBSA-N	242.362	4.573	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC[C@]12CCC[C@H]1C2	2061625541	FCGQNMSHGZORFP-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
C(CCN[C@@H]1CCCCCC12CC2)CCC1CC1	2062020300	MQLLZOGGJTUFLQ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCCC[C@H]1C[C@@H]1C	2062618224	DLORSWXPJZIWGY-HOCLYGCPSA-N	246.394	4.933	0	10	BJAE	
CC1(C)CC2(CC(C(=O)[C@@H]3CCCC3(C)C)C2)C1	2063808436	TXRFFNQQBNNITQ-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CC[C@](O)(CCC(C)C)c1cc(C)c(C)cc1C	2066000462	QZFQCXJQCZPPAI-KRWDZBQOSA-N	248.410	4.646	0	10	BJAE	
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N[C@H](CC1CCCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068771907	SZKQUOJKKQYNNI-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
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CCC1([C@H](CC[C@H]2CCCC23CC3)NC)CCC1	2255279664	BEHAIFWCDVUTLL-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(CC(=O)C[C@@H]2CCCC23CC3)CCC1	2255337539	LEAWCMTXTIIRKL-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
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Cc1ccoc1C(=O)CC1CC(CC(C)(C)C)C1	2261252044	KZZSOXCCWRSHIM-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
CCN[C@@H]1[C@H](C[C@@H]2C=CCCCC2)CCC1(C)C	2261446447	QEWWLRDOMFPOAN-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](C[C@@H]1C[C@@H]1C)NCC	2297868382	ZWOCJIUTJAEJAV-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
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CCC[C@@H]1CCC[C@](N)([C@H](C)CC2CC2)CC1	2298911847	RQNSBRGUOVJJTR-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@]1(CN)CCCC(C)(C)C1	2300700496	MPFJUIWJNOPZIB-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)C[C@H]1C[C@H]1C	2300702903	ZEGABERNVXWITF-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC(=CC[C@@H]1CC[C@@H](O)[C@@H]1C)CCCC(C)C	2300865627	PQESURWSHMTRTP-BZUAXINKSA-N	238.415	4.556	0	10	BJAE	
CCC(C)=CCC(=O)C[C@@H]1CCCCC12CC2	2300875663	XVZBHPPAGKRYCV-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
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C[C@@](O)(CCCC1=CCCCC1)CCC1CC1	2302361874	SDBWNWMJFOEUBF-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
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CCC[C@@H](CC(C)C)[C@@H](O)CC[C@@H]1C[C@H]1CC	2303610579	ICKFEQWPIAKLAM-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
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CC(C)CCOc1ccc2ccccc2c1Cl	2307638643	MKPKRRHDNRIKDG-UHFFFAOYSA-N	248.753	4.918	0	10	BJAE	
CCC[C@H](CC)CCC(=O)c1ccccc1F	2307747009	KXKOKEQPLOZZNB-LBPRGKRZSA-N	236.330	4.615	0	10	BJAE	
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CCC(CC)N[C@@H](C)c1ccc(CC(C)C)cc1	21512657	IESDNZXARUMCBQ-AWEZNQCLSA-N	247.426	4.724	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H](C)C2(C)CC2)cc1	36953513	OJLMIDBEIBTUIV-STQMWFEESA-N	231.383	4.801	0	10	BJAE	
CC[C@H](Nc1cccc2ccccc12)C(C)C	37188624	SUYXFUINSQQFGU-HNNXBMFYSA-N	227.351	4.686	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1ccc2ccccc2c1	68848288	FJTGMQHRVAUEPS-INIZCTEOSA-N	241.378	4.537	0	10	BJAE	
CCN[C@H](c1cc(CC)ccc1CC)[C@H](C)CC	70440826	IYCAEHCHPHWLRI-DYVFJYSZSA-N	247.426	4.508	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](CCC(C)(C)C)C1	80415737	UZVUZNDBEOFOMF-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)c1ccccc1NCc1cccs1	83374542	HYWJOLPEMRLLHM-GFCCVEGCSA-N	245.391	4.874	0	10	BJAE	
CC[C@H]1CCC[C@@H](Oc2ccccc2Cl)C1	85149904	AJJWWSCSGPLSMZ-NWDGAFQWSA-N	238.758	4.688	0	10	BJAE	
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CCCC[C@@](CC)(CNCC)CC1CCCC1	110205781	FYOPXUHNRRZZDD-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)CCC1CCCCC1	126009375	WZZBLDQRZQPQMZ-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(C)(C)CCNC(C)(C)C)C1	133972084	HDMHFSMFIZKJFW-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN(C1CCCCCC1)C1CCCCCC1	149448875	DNJCPSNOUCKJOF-UHFFFAOYSA-N	237.431	4.754	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](CCC)CC[C@@H]1CN	150151101	LJPWPTZFFFEXIL-HRCADAONSA-N	239.447	4.748	0	10	BJAE	
Cc1ccc(O)c(-c2ccc(C(C)(C)C)cc2)c1	156707417	RXYJINAJINLVIH-UHFFFAOYSA-N	240.346	4.665	0	10	BJAE	
CCCCC1CCC([C@H](O)C2CCCC2)CC1	160611157	AUVIBBRCJYPWMV-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CC1CCCCC1)c1cccc(C)c1C	160978913	ATNIKIDBTCCCNJ-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCCCCN(C)C[C@H](CC)CCCC	218278360	UTTXDPNKDGIQRV-OAHLLOKOSA-N	227.436	4.715	0	10	BJAE	
CC[C@H](NCCCC1CCCC1)c1ccccc1	225039752	ZHIVYSUXQDJFDC-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CC(C)=CCN[C@H]1CCCC[C@H]1C1CCCCC1	228838741	QIBSAGKMCLFNCY-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CCC1CCCC1	229339003	QIHVNTGLNXNLOL-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCc1ccc(N[C@H]2CCC23CCCCC3)cc1	230162170	ZNDQUFIELQLUFZ-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CCC(CC)C[C@]1(O)CCC[C@@H](CC(C)C)C1	230786654	MEPDWPXKWZQNGB-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CC1CC(Nc2ccccc2-c2cccs2)C1	232871090	JIYDXVLUALCPGJ-UHFFFAOYSA-N	243.375	4.626	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C1(C)CCCCC1	233919545	HQSZZVNWPQARPW-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@H]1Nc1ccccc1Cl	235548641	KMZLRWGDBGNJGZ-GWCFXTLKSA-N	237.774	4.577	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C[C@@H](C)CC(C)C)C1	302339487	LUSCTRAXQHQSSA-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1[C@H](C)CC(C)C	302614077	YPCZAGJUWZQVFI-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1cccc2ccsc12	305901125	BMIPJBSCBPMJSQ-ZDUSSCGKSA-N	248.391	4.761	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@H]1CC[C@H](C)C1	305974827	ZNTNSJZGLUXWMV-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC(C)(C)C2)cc1C	306036176	QVOZRZIWGGBALC-INIZCTEOSA-N	245.410	4.938	0	10	BJAE	
CSc1csc2cc(Cl)c(S)cc12	307454998	ZUFADSCLQVERPU-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CCCC2)C(C)(C)C	310254103	KYACHCUVTQBEBG-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1(C)CCCC1)NCC	310501670	IDIBBFONSWPBEK-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)CC1(C)CCCC1	310572859	ZVHBFOJBKILKLT-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](c1cccc(C)c1C)[C@@H](C)CC(C)C	310667431	DYWAPEUBVHEUCD-YOEHRIQHSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)c1ccccc1C(C)C	310809617	GBHOKAUUQWLLDW-CABCVRRESA-N	247.426	4.692	0	10	BJAE	
CCNC[C@]1(CC(CC)CC)CC[C@@H](CC)C1	317395220	GDRCTQJGOWWKHA-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@]1(CNC(C)C)CCC[C@H]1C	317906794	KBVAMVNVPZGYCK-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(O)CCCC[C@H]1C(C)(C)C	318749797	BRFWBJDJTTZVBE-RZLSGREXSA-N	240.431	4.636	0	10	BJAE	
CCNCC1([C@@H](C)[C@@H](C)CC)CCCCCC1	319814189	PPIZMQDNRNTKIM-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H](C)[C@@H]2C[C@@H]2C)cc1	322149858	IDQJFPFXVAQRMD-BCUIYNNISA-N	231.383	4.657	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)C(C)(C)C1CCC1	322899326	CHSWUJIYFDZGEX-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC1(N)C[C@H](C)C[C@@H](C)C1	383224259	SIKPQZIDFKDPTA-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@@H]1C[C@H](C)CCC1=O	383384871	NCTRTVBHFYNFHM-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCC1([C@@H](O)CC2CCC(C)CC2)CCCC1	383446892	GGACIOHAHRRODP-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@H](O)CC1CCCCC1	383494413	GPLYWNSIWRWNIH-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)c1cccc(C)c1	391189074	XKNVPXZPKWEOBW-OAHLLOKOSA-N	247.426	4.862	0	10	BJAE	
CC(C)CCCCCNC[C@H]1CCC[C@H](C)C1	394780197	YOGLFKRNMUBRSZ-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)(CC)[C@H](O)[C@@H]1CC[C@@H](C)[C@H](C)C1	395121918	LGZCMCLDHWOSEW-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CC)CNCCC(C)(C)C1CC1	395230843	POFITYPOFHLPMI-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](NCCCC1CCCC1)C1CCCC1	395700310	GLABOUJFRMONON-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@@H](C)C1CCC1	398700266	SSSDBXMFLUZCGY-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC[C@@H]1CCCC[C@@H]1CC	401935238	DZJQXDNJPZAMLJ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](O)C[C@H]1CC=CCC1)CC(C)(C)C	402127573	DRWIPLAPSGCCAG-ILXRZTDVSA-N	238.415	4.556	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CCC[C@H]2CC)c1	689611034	JMOVHXBPIKIJSA-GDBMZVCRSA-N	245.410	4.802	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCC1(C2CC2)CCC1	691187922	QTJZMJFZZKYYAQ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CCCC12CCCC2	695099252	OELSHXSZVKGFJA-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C(C)(C)c1ccccc1	696597086	HJYUVWMALBCIMV-HNNXBMFYSA-N	248.410	4.542	0	10	BJAE	
CCCC[C@H](CC(C)(C)C(C)(F)F)NCCC	697135898	PCDGFJXXRHOGFY-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC(C)(CC)[C@H]1C[C@@H](C)Nc2ccccc21	701141435	YVVXTMBHVMGLGJ-OCCSQVGLSA-N	231.383	4.801	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@H]1CC[C@H](CC)CC1	701202966	CMEWKSCWDRKOPT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1c(Cl)cccc1O[C@@H]1CCC[C@H](C)C1	702647275	CLVBLRMHXBIYIE-CMPLNLGQSA-N	238.758	4.606	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)C1CCCCC1	704458816	HLOZFABKQLQDRE-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C1(CN)CCCCCCC1	704890706	LEIRWKMWWNUUEL-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CC1(CN[C@@H]2CC[C@@H]3CCC[C@H]32)CCCCCC1	707781719	YFXWNXUMWFRCLM-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
Cc1cc2nc([C@@H](C)CC(C)(C)C)[nH]c2cc1C	709134532	SGOSKSNGEQFJQR-LBPRGKRZSA-N	244.382	4.719	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C[C@@H](C)CC(C)(C)C)C1	709184861	HEVCDIPLUFGGHG-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC(=O)C1(C)CCCC1)CC(C)(C)C	709212951	PIZKRWWAEKUOAC-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
Cc1cccc(N[C@@H]2CC(C)(C)CC[C@H]2C)c1F	713065751	LARINMMGIXLTGT-BXUZGUMPSA-N	249.373	4.761	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@H]1CCCC2(CC2)C1	713105504	GFAOFQQJPMVTHY-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@H]1CC(C)(C)C	713168504	OCNFNVUORZPFBS-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(O)CC(C)(C)CC[C@@H]1C	713259824	VKCRZGIQMPVVJC-BBRMVZONSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)C(CCC)CCC	713680252	AXSWYMDZKIZBAD-YDZSZYSISA-N	237.431	4.703	0	10	BJAE	
C=C/C=C/CCC(=O)C1CCC(C(C)C)CC1	713720915	DPSIKJFRDDIGTB-AATRIKPKSA-N	234.383	4.540	0	10	BJAE	
CC[C@H](C)c1cccc(CCC=C(C)C)c1O	718626436	ABPIEPUHQIYWGM-ZDUSSCGKSA-N	232.367	4.805	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCCC12CCC2	718952525	ULZWBGYBOBWREZ-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)CCCCCC2(C)C)C1	719196625	DOUCPKPFAMYHIE-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1[C@H]2CCCC[C@H]21	720952406	CDIFUNOVOWTHEZ-NCOADZHNSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)[C@H](CCC(C)=C(C)C)NC	721700359	XGANYRZUBRXOOO-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2CC(C)(C)C2)C1	723532538	LBIYXZMHTFQSKK-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C=C(c2ccc(Cl)cc2)CCC1	725350566	SHLNAVKSLKOBRY-UHFFFAOYSA-N	220.743	4.934	0	10	BJAE	
CC[C@@H](C)CS[C@H](C)c1ccccc1C	1656373632	ATRGXFPMMGFQSW-DGCLKSJQSA-N	222.397	4.835	0	10	BJAE	
CCc1cscc1[C@H](O)CCC(CC)CC	1900692236	AYTPOAIMJWACHR-CQSZACIVSA-N	240.412	4.560	0	10	BJAE	
CCC(CC)CC[C@@](C)(CC)CNC(C)C	1900713262	OVQACLSEVBZAQZ-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCC(C)=CC[C@@](C)(CC)CNC(C)(C)C	1900823516	SBRRQTWDHKMBPG-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCC(C)=CCc1ccccc1C1CCC1	1900899225	YBMSHDVHUZAACZ-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H](C)[C@H](C)C(C)C	1901707762	GJWCDTMRCHKDQM-NEPJUHHUSA-N	239.790	4.741	0	10	BJAE	
CCC[C@@H](C)C(=O)CCCC1=CCCCC1	1901966791	NQOGDMJTPZVBQD-CYBMUJFWSA-N	222.372	4.662	0	10	BJAE	
Cc1sccc1OCC1C[C@H](C)C[C@@H](C)C1	1904931025	ISYHNMMNGINCTC-GHMZBOCLSA-N	238.396	4.508	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cc(C)c(C)s1	1905431913	ADEQSIWHXYDSLL-CHWSQXEVSA-N	239.428	4.581	0	10	BJAE	
CC(C)(C)C(C)(C)NCCC=Cc1ccccc1	1911810910	FQQHJRXXNUCYJZ-UHFFFAOYSA-N	245.410	4.504	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H](C)CC(C)C	1911923829	MRKSKJGUPJGUMP-HOTGVXAUSA-N	237.431	4.559	0	10	BJAE	
CC=CC[C@H](CC)c1ccc(CC)cc1	1912084717	CKLMLNGBANTEGZ-AWEZNQCLSA-N	202.341	4.709	0	10	BJAE	
CC(C)C[C@H](C)C=C1CCC[C@@H]1[C@@H]1CCCCN1	1912093982	NSMRFZKRXKIUKB-XIRDDKMYSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC=Cc1ccccc1)CCC(C)C	1912137249	ZYRCTDNEWJWEET-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](CCCC1CC1)C1CC2(CCCC2)C1	1912646079	PAZBLSKMXXKZEK-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](O)(CC)c1ccc2ccccc2c1	1919479714	MEJRCGXPVZLFLJ-KRWDZBQOSA-N	242.362	4.628	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CCCC(C)(C)C	1920187451	KFMYWHRMFOPNIL-HIFRSBDPSA-N	227.436	4.747	0	10	BJAE	
CCCC1CC(CN[C@H]2CCCC23CCCC3)C1	1921235169	WJVIRVRHPAOWQN-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1C=CCCC1)C1CCCCC1	1924109984	WJCONTHBZONNLZ-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@@](C)(CNCC)C1CCCCC1	1924117515	ZDWBJVLDAPSWHD-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC1(C[C@H]2[C@@H](CN)CCCC23CCC3)CCC1	1924839029	QNVFKZBNJRYSGR-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cc(C)ccc1Cl	1925509989	JLAHGVGHRHSWGH-WDEREUQCSA-N	238.758	4.513	0	10	BJAE	
CCC(CC)CCN[C@H](C)c1sccc1C	1926144760	MLOODZPDMCXGLI-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCC(CC)C[C@H](CCCC(C)(C)C)NC	1926381822	LTMMYCNSOKFSEK-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)C[C@H](C[C@@H](C)c1ccccc1)NC	1926382526	RCYJYJCLHMTBMC-PBHICJAKSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CCCC(C)(C)C	1936206924	LZZRPCSYVRJHBK-KGLIPLIRSA-N	227.436	4.602	0	10	BJAE	
CC1(C[C@@H](N)CC2=CCCCC2)CCCCC1	1940407011	GLHVSQZNQLUGOU-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
c1cc2cc(N[C@@H]3C[C@@H]4CCC[C@H]43)ccc2s1	1940420730	UQEVPKMLNWNUTG-ZLKJLUDKSA-N	243.375	4.502	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](O)CC1CCCCC1	1940876064	ZLECITIJTJSTLM-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)CCC[C@H]1CC1(C)C)C(C)(C)C	1940877386	QVUICPMRGUDYAN-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CC(C)(C)C(C)C)NC	1941268182	BTZNKELVGIEUQJ-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](N)CCCCCC1CC1	1941591416	KYNJDNOFWLUPNA-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943035892	GNSZYMLCIJQEHP-NHAGDIPZSA-N	236.399	4.764	0	10	BJAE	
CCCCC[C@@H](NC)C(C)(C)C1CCCCC1	1944661894	WOTLEIFFNQNMTF-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C(C)(C)C(C)C	1944664196	AXNUVZIGTCVDQC-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@H]1CCC[C@H]1C	1944849522	NBWPBIQCKUHDLR-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H]1CCC(C)(C)C1	1945592216	MDJNPZVEMWETNE-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@@H]2C(C)C)c1C	1947466645	ZHWHPWNVJZDHPA-GDBMZVCRSA-N	231.383	4.540	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)C[C@H]1CCC[C@@H](C)C1	1947514154	CQQUTNBCQZWOJN-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CC(C)(CC)C2)CC1	1948393013	QZWVCNRWHMGOFZ-FXQLRMTLSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C1C[C@@H](C)C[C@H](C)C1	1948932509	AEUZTDJGJDRXKW-KCQAQPDRSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1CCC2(CCCC2)C1	1949531314	OZZNAHXEJKOXBH-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCC(C)(C)[C@H](NCC)C1	1949658222	AIFHAGNVYUBDQA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C[C@@H](N)CC2(C)CCCCC2)C1	1949733654	KXGCCAZRRHGNRE-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](CC(=O)CC2CCCC2)C1	1949861863	KDIAHDMUIRSWFP-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@@H](C)CC[C@@H](N)CC1CCCCC1	1949919464	WVQVRBLSCGLESO-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)C[C@@]1(CN)CCCC(C)(C)CC1	1950919408	OKVIGHHCQUGYFO-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CC=CC[C@H](CC)c1ccc(OCC)cc1C	1951308588	JMLMMEZDTNQAJG-AWEZNQCLSA-N	232.367	4.854	0	10	BJAE	
C1CCC(CCCNC2C[C@@H]3CCCC[C@H]3C2)C1	1965872163	YFVUBUJMWPBFHN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@H]1NC1CC(C2CCCCC2)C1	1967792573	FGMNSTQMHIYHIJ-YJNKEBTESA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2CC[C@H](C)C2)cc1	1968292320	FYBXBCJJLXTYKN-KBPBESRZSA-N	231.383	4.658	0	10	BJAE	
CCc1ccc(OCC2CCC(CC)CC2)cc1	1968345839	FZMCCRDIYIZCGC-UHFFFAOYSA-N	246.394	4.844	0	10	BJAE	
CSc1ccc(N[C@@H]2CC[C@@H]2CC(C)C)cc1	1968457434	ZSROJQFVILRWIE-IUODEOHRSA-N	249.423	4.645	0	10	BJAE	
Cc1cc(C)cc(CN(C)[C@H](C)CCC(C)C)c1	1971361181	DOXSKULKJZEDQB-MRXNPFEDSA-N	247.426	4.560	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H](C1CCCC1)C1CCC1	1971536265	DREAJCDFPLDMPB-IAGOWNOFSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1CCCCC12CCC2	1972829089	HPMKVHNJMFAZQO-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(O)C1(C)CCCCC1	1975570333	GOGNSHQMMFDBIZ-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cc(C(F)F)cs1	1983699469	RBQZSZQNIZSPLC-MRVPVSSYSA-N	246.322	4.695	0	10	BJAE	
CCCCC(C)(C)N[C@H]1CCC[C@H](CC)C1	1987101097	DMKPVJQNEXULEM-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H](C)CCC(C)C	1990092304	XRFCADZDJWCBSY-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
CC1(C)C[C@@H](Nc2ccc(Cl)cc2)C1(C)C	1994588670	UBACNGHCNBUEAJ-GFCCVEGCSA-N	237.774	4.577	0	10	BJAE	
CC1CCC([C@@](C)(N)C2(C)CCCCC2)CC1	1995985649	LAYTYHJJMLYNIU-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)C1(C)CCCCC1	1995986362	DOTPLADJQOGEQX-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H](C)C2(C)CCCCC2)C1	1995990496	HYMVMWYBDSCABW-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](O)CC2CCCCCC2)C1	1996267153	FEMGUPUWNFDHRG-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CNc1ccccc1SC1CC1	1996549919	SMKMLTKXNYLJFQ-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H](C)C(C)(C)C)CC1	1997100971	UTNPTTXGNGHGNO-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CCC[C@@H](C)CC1	1997115721	IEBNMBAMYYMBPX-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H](Cn2c(C)ccc2C)CC1	1997195552	KPXUJAPWCGTABX-HOTGVXAUSA-N	233.399	4.711	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC[C@@H](C)C(C)(C)C	1998381429	WLCMWMBVCCCCIC-KGLIPLIRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C[C@H]1CCC=CCCC1)NCC	1999991006	OCJRCYCLUPZZIX-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CN[C@@H](C)CC(C)(C)C[C@@H]1CCC=CCCC1	1999991663	BXJTXHXXKSKZCH-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@@H]1CCCC(C)(C)C1	2000039789	ZKSGABZKKSHDCA-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@H]1C[C@@H]1CC	2000514929	OZCCJCCHRRPLEJ-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@@]1(C)CCCC1(F)F	2002580333	RTGPAIRZJVLLGA-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
Cc1ccccc1N[C@H](C)[C@@H]1CCC[C@@H](C)C1	2002998408	KYVKNWKLXPAITG-BPLDGKMQSA-N	231.383	4.622	0	10	BJAE	
O=C(CC[C@@H]1CC2CCC1CC2)c1cccs1	2003680515	MWLYECFEISVTPP-WXRRBKDZSA-N	248.391	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H]1CCCC1(C)C	2004225453	DCXGKFPCVVJGKB-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C=C(C)C)C1(C)CCCCCCC1	2004922451	HPPMEWCUBDEJSP-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)C[C@@H](O)[C@@H]1CCCCC12CCC2	2005598141	AVBQXAABWSIARV-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)C=C1CCCCC1	2007921249	LPNTZIASMOUXKM-HZPDHXFCSA-N	238.415	4.556	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1ccc(SCC)cc1	2009622244	OPHVPLOMKIJDCC-SJDLMVEWSA-N	249.423	4.545	0	10	BJAE	
CCCC1CC(O)(C[C@H](C)C2CCCCC2)C1	2009711645	ARLLXZAPFVWHFT-HLIUYOAVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC=C([C@H](O)C[C@H](C)C(C)(C)C)CC1	2010725875	LGWXTFVBXKDASS-GZBFAFLISA-N	238.415	4.556	0	10	BJAE	
CC[C@H]1CC=C([C@](O)(CC)CCC(C)C)CC1	2013270833	MHLOFFHKQCIFEA-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](CCC2CCCCC2)N1	2013526490	OIJDXIMREZSDNI-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(N[C@H](C)C2(C)CCCC2)cc1C	2014339222	SMAOKCZBTYSMDY-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N1CCC(C(C)C)C(C)C	2015395044	VGDFMQQRUWIDDB-HUUCEWRRSA-N	239.447	4.568	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1(CC2CCC2)CC1	2015784170	NTFUVPSJFAIJBF-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C(C)(C)CCF	2016764254	PTCSRCPISKJDGS-CYBMUJFWSA-N	245.426	4.567	0	10	BJAE	
CN[C@@H](CCC1(C(C)(C)C)CCC1)CC(C)C	2017140346	GFQNDPPBSZJKGM-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](N)CC1CCC(CCC)CC1	2017722987	SDFUXCYUAGUQGY-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@H](CC)C1	2018139500	SGTMDJFQJSUDGV-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCC[C@H]1C[C@@H]1C	2018181599	AGKJMOURVXRNLL-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CCCC(CCC)[C@@H](CC1(CCC)CC1)NC	2019007842	GTBDYYSMRLXGMB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](C)C(C)(C)CC	2019196976	VECBGWYPUCIMDL-CABCVRRESA-N	241.463	4.959	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)CCCC(C)(C)C)CC1	2019322731	FIBZSILPKSRURV-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC2(CC2)C1)c1cccs1	2021786911	CKIPCCSUHGYUFO-OLZOCXBDSA-N	249.423	4.512	0	10	BJAE	
Cc1ccc(Cl)cc1[C@H](N)CC1=CCCCC1	2023171100	VCBJUTARHUQRQH-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)CCCC(C)(F)F	2023304421	NWBYJRUVVOMMRE-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)c2cc(C)c(C)s2)C1	2023991380	MLKARTAFNZRNIL-ZANVPECISA-N	248.391	4.540	0	10	BJAE	
C[C@H](O)C[C@H](C)CC1CC(C)(C)CC(C)(C)C1	2024120269	URDASXFRJMQMRH-STQMWFEESA-N	240.431	4.636	0	10	BJAE	
CC(C)c1cccc([C@H](N)CC[C@@H]2CC2(C)C)c1	2027828028	XXFHEBNCAWYBOG-HZPDHXFCSA-N	245.410	4.636	0	10	BJAE	
CCCc1ccccc1[C@@H](O)CCCC(C)(C)C	2027895739	BFMHYKHDGSVRLI-INIZCTEOSA-N	248.410	4.889	0	10	BJAE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@@]1(N)CCCC1CCC1	2028484234	HVIDJQUJCJZKEB-USXIJHARSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](c1ccc(C2CC2)cc1)[C@H](C)C(C)C	2028591405	SNZWYPCHLYZROA-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CC(C)c1cccc(NCC(C2CC2)C2CC2)c1	2032150168	PEWGDMGLOGEHLW-UHFFFAOYSA-N	243.394	4.658	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC(C2CC2)C2CC2)CC1	2032163047	CWGUEGXXPBJQSE-NNUKFRKNSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(F)c1NC1CCC2(CCC2)CC1	2032254534	YJOKHDQXEUSUGX-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@@H]1CCC(C)(C)C1	2033396735	YCFXLIGHQRRHDV-HZPDHXFCSA-N	249.442	4.703	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)c1	2034264631	RKUASJQYKFCJCD-HRCADAONSA-N	243.394	4.684	0	10	BJAE	
O=C(C[C@H]1C=CCCC1)C(C1CCC1)C1CCC1	2035559053	FKYZJHAWOVRMQO-ZDUSSCGKSA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1C[C@H]1C=CCCC1	2035590621	KUQGZANCOGQOLR-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)C1(C)CC(C)(C)C1	2035598203	DYQXFZHIZSMMQH-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CCCC[C@@]3(C)C2)C1	2036668847	VVVHVZKHZHXVMV-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)c2c(C)cccc2C)C1	2037053131	LJSDXFKESOJJJY-UXLLHSPISA-N	245.410	4.520	0	10	BJAE	
C=CC=CCC[C@@]1(N)CCC[C@H](C(C)(C)C)CC1	2037136013	SSUDIJOAUJTWIG-DOTOQJQBSA-N	249.442	4.833	0	10	BJAE	
CC(C)CCC[C@H](N)Cc1ccccc1C(C)C	2037178185	NAEQACHAMPJVNL-INIZCTEOSA-N	247.426	4.506	0	10	BJAE	
CC1CCC([C@H]2c3ccccc3NC[C@H]2C)CC1	2037223135	HPCJJPKJVBNXEF-GMUWMPNVSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@@H]([C@H]2CCC3(CCCC3)C2)C1	2037686446	MBZBSKULAGLISH-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CC2(CCC2)C1)C1CCCCCCC1	2038079193	SGLYMTUQJHVKSU-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)CC1CCCC1	2038114444	KAMXPZVMSPQLRT-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)[C@@H]1CC=CCC1	2042025535	WADBVCAMCCWUFK-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC1CCC1)[C@H]1CCC2(CCCC2)C1	2042735797	ILTCTWHFBIPLON-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H](C)CC1CCCC1	2043188187	ROIYQIRSWQETKD-LSDHHAIUSA-N	249.442	4.824	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)[C@H]1C=CCCC1	2043189500	BLBZFBGSHSLHJI-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@]2(CN)CCCC23CCC3)C1	2045518158	ZEDRBGZFCQEQFL-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
NC1(CC2CCCCC2)CC2(CCCCCC2)C1	2046233732	RUSIDLMTUABKFF-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@@H]2CCC23CCC3)C1	2047940996	ZDQVFKACYRQQTH-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048364648	AKQHYYCXFTZGFC-AIANPOQGSA-N	246.394	4.518	0	10	BJAE	
NCC1(C[C@@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2048490735	WHOFYDPNYHEVRL-ZSHCYNCHSA-N	249.442	4.502	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@H]1CCC2(CC2)C1	2049935388	IHXNSHXFUVWFJW-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1C[C@H]2CC[C@H]1C2	2051409156	OOXAEMGXVNMIOO-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCc1cccc2ccn([C@H]3CCCC[C@H]3F)c12	2055271372	SIZCTIJGWCQQRI-CABCVRRESA-N	245.341	4.657	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@H]2CC=CCC2)CC1	2056535547	FJWONDAFSPZEIT-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
N[C@H](CCC1CCCC1)CC1CC(C2CCC2)C1	2056652515	DBMOTVMJNGMEQW-BDVYOWHSSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)C=C1CCCCC1	2056920135	OMCRSDVCBSGDJL-RHSMWYFYSA-N	247.426	4.731	0	10	BJAE	
CC=CCCC[C@@H](NCCC)c1ccccc1F	2059225865	SFXGUGAGZODJGJ-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCCN[C@@H](C1CC(=C2CCC2)C1)[C@@H](C)CCC	2061733440	DTVMYSJYAPGOHF-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@@H](N)CC2C[C@@H]3CCC[C@H]3C2)CCC1	2069284550	JRQCHXDKFPTVLP-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)C[C@H]1C[C@H]1CC	2071509278	ALTJLJJMAXYUEN-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C(=O)CC2[C@@H]3CCCC[C@@H]23)CCC1	2071927687	CPTQGVUTXJYVNX-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC[C@@H]1C[C@H]1C)C[C@@H]1CCC=CCCC1	2072083391	PRMGNXHZWUDREM-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@H]1CCCCC12CCC2	2072425765	QAEAMBXJUFACGT-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C=C2CCC[C@H](CCN)C2)CC1	2072808683	HWOLEEFOIYDHOL-HWOWSKLDSA-N	249.442	4.668	0	10	BJAE	
CCCc1ccccc1[C@@H](N)CC1(CCC)CC1	2074641717	LUZYLKHSGXNUSB-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@@]1(C)CC=CCC1	2074645240	ZHZZDXFLUXLNJN-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@H]1CCC2(CCC2)C1	2074811412	VPVWFMNXFQANQG-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1CC2(CCCC2)C1	2077183410	BORWKPDZVDCZSQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1cc(C)ccc1C	2077189242	FUTOKLXMXFWZTQ-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2C[C@@H]2C2CCC2)CC1	2079318689	CSPDTGXKZOWTAJ-XOUADPBQSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C[C@H]1c2ccccc2NC[C@H]1C	2079660011	JVXLFXKLGGGQDY-LUYZLQTOSA-N	243.394	4.514	0	10	BJAE	
CCN[C@H](C=C1CCC1)[C@@]1(C)CC[C@@H](C)C1(C)C	2080245794	YSGCVQKXJWUHCO-FRFSOERESA-N	249.442	4.537	0	10	BJAE	
CC(C)CNC[C@@]1(CC=C2CCC2)CCC[C@H]1C	2081681894	IRAOHGWMURYPMN-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CC(C)(C)C)c1cc(C)cc(C)c1C	2082921828	JNIYSCZQEZFADP-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CC(C)CC(=O)CCC1C[C@H]2CCC[C@H](C1)C2	2213279987	NOCBSTUJADBVGF-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CCCCCCC1CC1)[C@@H]1CCCCN1	2213571108	DIBUTQLBAKJIGO-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
Cc1sc(C=O)cc1-c1cccc(C(C)C)c1	2214031314	YEDZYVUIPARMFX-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CC(C)(C)C1(C(=O)CCCCC2CC2)CCC1	2214552152	IOYGGGCNWGKYGQ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)C(C)(C)C1CCCCC1	2215333787	QEQJHFOPGLUCEG-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)NC[C@@H](C)CC1CCC(C)(C)CC1	2217145622	RICGPKZXJSCPIJ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCN(C/C=C/c1ccccc1)[C@@H](C)CC	2219078878	RZLWGHBJXHENBZ-ISBHARSQSA-N	245.410	4.600	0	10	BJAE	
N[C@@H](CC[C@H]1CCC=CCCC1)C1CCCCC1	2220288451	KBBHSQDRYGDXMS-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1([C@H](O)C2=CCCCCCC2)CC2(CCC2)C1	2220940519	BNHSUSLPJKLHBL-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H]2CC=C(C)CC2)CC1	2221665855	GLEMKZVLVLNOJW-OTBWCIGPSA-N	249.442	4.680	0	10	BJAE	
CC1=CC[C@H](CN[C@H]2CC(C)(C)CC[C@@H]2C)CC1	2221667508	UVCSZIBVWFFUEU-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1C1(O)CCCCCCCC1	2221997999	DMJDPHGJIHGIIL-UHFFFAOYSA-N	246.394	4.625	0	10	BJAE	
CCC1(NC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1	2222933165	KHZDXRPNHUGGJD-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1	2222955133	QGXXQBPJGXWWOB-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)C(=O)c1ccc(C2CCC2)s1	2244712478	ULFXYLPPKZZNFE-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)CC[C@H]2C[C@H]2C)C1	2246662022	DAEYTUWHYTXBGC-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)CCN(C)CC[C@@H]1CCC[C@@H](C)C1	2246678267	HUSGLALYYIACLM-XHSDSOJGSA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H]1CC(C)(C)CCC1=O	2247098834	LYBPBHOWKWQGCB-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CCCC[C@@H]1C[C@H]1C	2247175102	YRDPLFLYVOSNHA-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)C(=O)CCCC[C@H]1C[C@H]1C	2247177760	YRDHZDLHVQHNKB-HIFRSBDPSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H](O)CCC1CCCCC1	2247305864	FBMGDGFTAAGBIT-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCCCC[C@]1(O)CC1=CCCCC1	2247463071	HHSPOBZKLRNMNI-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H]1CC(C)(C)CC1=O	2248880037	PWUICYIJTORCGB-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)C1CC(C)C1	2250469107	LEBAOROTEWFEAK-NFOMZHRRSA-N	238.415	4.844	0	10	BJAE	
CN[C@@H](CC[C@H](C)CCCC(C)C)C1(C)CC1	2250488647	PDKXJOCKKXBPEF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)CC1CCC1	2250496638	UBQAFTIOHRYNBA-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
Clc1ccccc1NC[C@@]12CCCC[C@H]1CC2	2251159243	SBHPNXXKFGYGRE-WFASDCNBSA-N	249.785	4.722	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@]12CCCC[C@H]1CC2	2251225125	VUJCZYHEBJCSJU-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CC1(CC(=O)C[C@H]2CCCCC23CC3)CCCC1	2253782708	KKOWCMUPRALORE-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1C[C@@H](C)CC[C@H]1C	2256142518	SOSJYVPVCPNHNA-YWPYICTPSA-N	249.373	4.625	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)[C@H]1CC12CCCC2	2257302727	KIDIOLFUCLTUOJ-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC1(CC2CC2)CCC1	2257312024	PJGBNPOBSHTFLA-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CCC=Cc1ccccc1	2259470048	JEGDHTZIQHCBGK-SJORKVTESA-N	245.410	4.634	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@]12CCC[C@@H]1CC2	2260600637	HAVKNQQCXVFUAV-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)C[C@@]12CCCC[C@H]1CC2	2260646551	MKCQHLSVZYAVBK-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2260669926	JDQUUCRUOPMYFC-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@H](N)C2(C)CC=CC2)C1	2261132301	LFMLPOZLHWZMDM-YMAMQOFZSA-N	249.442	4.523	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1CCNc2ccc(F)cc21	2261338846	MKHHKCCBRONAKK-STQMWFEESA-N	249.373	4.797	0	10	BJAE	
CCCC1(C[C@](C)(O)CCCC(C)C)CCC1	2300473665	ARGAOKJAJDCMIL-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(N)CCCC(C)C)C1	2300498140	XQVPXFGSQBVHGY-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1CC(C(C)(C)C)C1	2300674977	AAEWBDNYVSWQJS-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CC=CC[C@@H]1C[C@@H](CCC)CC[C@@H]1NCCC	2300924879	XGPZSNZIVLDMQY-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CN(c1ccccc1Cl)[C@H]1C=CCCCCC1	2301369625	RDLBJTNKJZCPKX-ZDUSSCGKSA-N	249.785	4.665	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@]2(C(C)C)C[C@H]12	2302886203	FXYNWVNTMUWJFI-UMVBOHGHSA-N	249.423	4.547	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303512467	VBZVGNKDZMHWIR-HZSPNIEDSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(O)CCC(C)(C)C2)C1	2304359473	MEMUHKAFMLVQJX-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@H]([C@H](O)CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304398319	CHXRXMKCBDQLAR-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCCCCCc1nc([C@H]2CC23CCC3)cs1	2304508682	QNXUDBPKMFGSET-GFCCVEGCSA-N	249.423	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC[C@H](C2CC2)C1	2307844590	OJEBVDGYPQBQNQ-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2CCC[C@@H]3C[C@H]23)CC1	2308618621	UHVCSGHAFIPPFC-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc([C@@](C)(O)CCC(CC)CC)cc1	2316234538	AKUOZWQWCKLFAH-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CC(=CCN[C@H]1C[C@@H]2CC[C@@H]2C1)CCCC(C)C	2316493326	XVTNDIKDIQCACV-BJWYYQGGSA-N	249.442	4.537	0	10	BJAE	
CC(=CCNC(C1CC1)C1CC1)CCCC(C)C	2316495838	HPRNMQFZYAOAHL-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN[C@]12CCC[C@H]1CC2)CCCC(C)C	2316499358	MWSMDTICOJVQOS-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC(=CCN1CC[C@@H]2CC[C@]21C)CCCC(C)C	2316514358	DAMSMPYYJCGGJR-DLBZAZTESA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)c1cc(C)oc1C	2316533495	AGXZEAHSTLHRPX-MRXNPFEDSA-N	249.398	4.684	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1CC12CCCCC2	2317008486	SJIMMLXPZVEMHB-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)[C@@H]1CC=CCC1	2318579633	IHAOIKSGJSNODP-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCC[C@H]2C[C@@H]21	2319252004	JGBWTFNMZGJISP-JLJPHGGASA-N	243.394	4.801	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1	2321092635	CDWXDQZXTNOAGV-BFQNTYOBSA-N	249.373	4.625	0	10	BJAE	
CCCNC[C@]1([C@H]2CCC[C@H](C)C2)C=CCCC1	2326699158	KLTNUIJTZJRJEO-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@H](C)CC(C)C)c1	2327788412	DUUFUKHLVDQFAQ-PBHICJAKSA-N	247.426	4.800	0	10	BJAE	
CCCCCNc1cccc(Cl)c1Cl	21013244	DYBMAHICYGPTTN-UHFFFAOYSA-N	232.154	4.596	0	10	BJAE	
CCCCCN(CCCCC)c1cccc(O)c1	34541500	GJIVOAVXGUVGJV-UHFFFAOYSA-N	249.398	4.579	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1ccc(CC(C)C)cc1	35459586	GNAFNGTWZVKBFM-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CCC[C@H](C)C[C@H](CCC)CNC(C)(C)C	71126989	GMGHOBUIKUDXQC-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H](C)C2CCCCC2)C1	83640385	LFYRDYJSWYAASU-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C)c([C@H](O)C2CCCCCCC2)c1	86581061	UHHKHWXKIRGGOG-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CCC[C@H](NC)c1cc2cc(C(C)C)ccc2o1	88074729	QJNCFXQJRIWLOP-AWEZNQCLSA-N	245.366	4.617	0	10	BJAE	
CCC1CCC(N[C@H]2CCCCC[C@@H]2C)CC1	88506305	RCRSJMZFXSZIPW-LBDPXKHJSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](O)c1ccc(C(C)(C)CC)cc1	90484311	PMJXMPDCIJYUQI-INIZCTEOSA-N	248.410	4.988	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1=CCCCC1	97468743	ZHFSWNSCCFGAKB-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CCC[C@H](C)CC[C@H](NCC)c1ccccc1	109656063	FLXDFYZVSSMJBM-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cccc(F)c1F	109921779	QCCUHVFQMIVAJK-WDEREUQCSA-N	241.325	4.592	0	10	BJAE	
Cc1nc(-c2ccccc2)sc1CC(C)(C)C	117503996	JWPNNUMUEONKPJ-UHFFFAOYSA-N	245.391	4.707	0	10	BJAE	
CC(C)CC1([C@H](O)C2CCCCC2)CCCC1	123105362	BSWISBOJRSWHCY-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1ccc(C2CCC2)cc1	128765687	RBQSTCFOHGNYHT-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(C2CCC2)cc1	128791806	SXNUHVRZDMEHLM-KRWDZBQOSA-N	245.410	4.924	0	10	BJAE	
CCCc1csc(C2CCCCCCC2)n1	132076619	YVCDZHJLNVDZBU-UHFFFAOYSA-N	237.412	4.924	0	10	BJAE	
C[C@@H](N)c1ccc(SC2CCCCCC2)cc1	149355070	PLTFNLGVEOATJY-GFCCVEGCSA-N	249.423	4.521	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@H](CC)c1ccccc1	158618094	SSPNIHWLLWYJLS-SJORKVTESA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1cc2ccccc2s1	162150558	WNNFJVWZLATBBV-AAEUAGOBSA-N	247.407	4.727	0	10	BJAE	
CCCNC[C@H](CC(C)C)C1CCCCCC1	167924817	JZUROHTWFLAHKH-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)C(=O)c1ccccc1C(C)(C)C	168664404	OJHHRSBPLUABAS-UHFFFAOYSA-N	232.367	4.603	0	10	BJAE	
CCN[C@H](c1cccc(C2CCC2)c1)[C@@H](C)CC	169085724	QBBILZFOCNRKQN-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)c1cccs1	225985777	FBDPJVYRGUGNDK-QWHCGFSZSA-N	239.428	4.758	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCCCC1(C)C	226861215	MOUUQNOERWYLAX-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1Nc1ccnc(Cl)c1	227685061	VUFLHZPGCBTNMV-UHFFFAOYSA-N	246.741	4.602	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H](C)CC(C)(C)C	229446048	XXENQDQKMZWMAY-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
CC(C)c1ccc(N[C@H](C)CC2CCC2)cc1	229669120	FEHXQHGFAQMJDS-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
CCC[C@H](NC[C@@H]1CCC[C@@H]1C)c1ccccc1	230657769	RWNUXWJLCMTEJB-XIRDDKMYSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1cc2ccccc2s1	300472526	YNZSZAQDMXOAFV-ABAIWWIYSA-N	247.407	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H](C)CC(C)C	300947889	PJDKATRPICCWNK-ILXRZTDVSA-N	228.420	4.636	0	10	BJAE	
Cc1cc([C@H](N)CCCC(C)(C)C)sc1C	300948162	WWJGHEDNJXVYDR-GFCCVEGCSA-N	239.428	4.581	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)c1cccc(C)c1C	302283527	JROIESFXOQWLFX-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCc1cc2c(CC)c(Cl)ccc2s1	306579365	NCWYOQQIMABYON-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CSc1csc2c(S)cc(Cl)cc12	307458838	DURKUQRWDHHQLQ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@@H](CC(C)C)c1nc2cc(C)c(C)cc2[nH]1	308050436	BARCNMGJTFGNBS-ZDUSSCGKSA-N	244.382	4.719	0	10	BJAE	
C[C@H](CC(=O)CC1(C)CCC1)CC(C)(C)C	309353333	NMPUFFIILRIVBX-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCSc1ccccc1NC[C@H](C)C(C)C	309838961	NLDULQPOMHIKNX-LBPRGKRZSA-N	237.412	4.503	0	10	BJAE	
Cc1cc(S[C@@H]2C=CCCCCC2)ccc1N	310065205	YVTAAPAYBSUQIS-CYBMUJFWSA-N	247.407	4.558	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@@H](C)C1CCCCC1	310370248	XNHIQQMBKASDLJ-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](CC2(C)CCCC2)C1	310503655	IPNDRGBTUUUVIZ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC1(CNc2cccc3c2CCCC3)CCCC1	311019381	LJQYLUZTUAXVSN-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(CNC3CC3)CCCC2)C1	311089138	HRDKEXBWRMLIOY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H]1CCCC12CCCCC2	313005524	BYHQLSSUSSQWLO-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](N[C@H]1CC12CCCCC2)C1CCCC1	313391668	CHJOEBVPXVHNHB-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
C/C=C/CC1(CNCC)CCC(CCC)CC1	317227122	IDVZDFJUXCTLCK-QPJJXVBHSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(CNC2CC2)CCCC1	318035427	LCGLWFZDCSUNAG-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC(C)C)C[C@H](C)CC	379630529	KJVAFKRRLFBJJR-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC(C)NCCC(C)(C)CCC1=CCCCC1	384907583	CMHPWNAJOONNSH-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1N[C@H]1CCCCC12CCCC2	385842396	NVGQLPUAARZKJS-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)/C=C(/CNCC)C1CCCCC1	394082098	RFTJMWAVBOPVTN-IZCBMXNHSA-N	237.431	4.539	0	10	BJAE	
Cc1cc(OC(C)C)ccc1NCCCC(C)C	394107943	YYOWSWMAWWNNNE-UHFFFAOYSA-N	249.398	4.630	0	10	BJAE	
CC1(C)CCC(CN[C@@H]2CCCC23CCC3)CC1	394846497	COKSYUQXNHKIJY-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CC23CCCCC3)CC1	395677418	QRPUKOXZSNDRBI-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(S)c2ccsc2c1C(F)(F)F	396307532	QTZHCVBPIVXXMZ-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
Cc1csc2cc(S)cc(C(F)(F)F)c12	396308820	RXMRCLPPYILKGD-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@H](Nc1ccc(C)c(F)c1)[C@H]1CC1(C)C	397784054	OXDKHYGBFBIQSC-HIFRSBDPSA-N	249.373	4.761	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H](C)C2CCC2)CC1	398612977	BBNJMNKAKKRNRY-DNOWBOINSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(=O)CCC1CCCCC1)C1CCC1	398776747	BSNFVLUSBZKEFA-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]([C@@H](N)c1ccc(C2CCC2)cc1)C(C)(C)C	399086672	VACCTIKMNOYEJO-BLLLJJGKSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C1CC1)c1ccco1	405725039	JLHYRORHAIIWGZ-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)CCC(C)(C)C2CC2)c1	406103828	JIYYEIQXTCQLJV-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
C1=CC=C(N(c2ccccc2)c2ccccc2)[CH-]C=1	575154918	YHOOBJKNEFMHLJ-UHFFFAOYSA-N	244.317	4.638	0	10	BJAE	
CC1(C)CCC(C[C@H](N)C2CC3(CCC3)C2)CC1	691880121	UHXGQOUNSMNLAV-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](c1ccccc1)C(C)C	695097835	IBBHQAGCRZTXRN-GOEBONIOSA-N	247.426	4.798	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](c1ccccc1)C1CC1	695097969	JPIRGUUWLQLTEV-CJNGLKHVSA-N	245.410	4.552	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1nc2ccccc2s1	695157766	VXHHJCGCZKYTNY-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C2CCC3(CC2)CC3)C1	695627280	UYXSGSFYLYVMPS-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1(CC)CCCC1	696565203	CRVYSQKLPSNBHN-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@H](N)CCC(C)(C)CC	696607336	BUSNKCWMTCNICW-ZDUSSCGKSA-N	213.409	4.501	0	10	BJAE	
CCC(C)(C)CC/C(C)=C\CCNC(C)C	696799923	PCORQDLORSXOCF-ZROIWOOFSA-N	225.420	4.537	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	697845306	PSXKCVJSJPJURD-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C(C)(CC)CC)CC1	701080063	UPCGFCZRZZMWDD-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@H](C)CC(C)(C)C	708297688	SIRBMRRPZJVXPE-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@@H](C)CC(C)(C)C	708304372	UOONRGPQNWLVHF-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC[C@](C)(CNC(C)C)C[C@H](C)CC(C)(C)C	709105759	NBVHYQDYXLVWEV-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
Cc1csc([C@H](O)C[C@H](C)CC(C)(C)C)c1	709169686	UZNQHVILMPZMEZ-CMPLNLGQSA-N	240.412	4.552	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H](C)CC(C)C	709209635	FODYEDIKOWQWFU-UONOGXRCSA-N	226.404	4.844	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2C[C@H]3CC[C@H](C3)C2)CC1	711010885	SWAIGUGBQXPKKQ-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C[C@H]2CCCC[C@H]21	712524606	OBAVLZYHIYTHKP-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc2ccn(CC(C)(C)C(C)C)c2c1	713236188	OCPMXTHUDXOOCE-UHFFFAOYSA-N	229.367	4.632	0	10	BJAE	
Cc1cc(O)c(C)c(-c2ccc(C3CC3)s2)c1	716617635	RHIWIRXPVALVBR-UHFFFAOYSA-N	244.359	4.615	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@@H]1CC[C@H]2C[C@@H]21	716852798	WWDSJBMKQKAUPN-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCN[C@@H](C)CC1CCCCC1	718640673	AGFQDWUGTLEQCT-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCNC[C@@](C)(CC)CCC(C)=C(C)C	718748224	OGHNIFFXNUGCSR-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CCCCCC[C@H](N)c1c(C)sc(C)c1C	722484191	QBCQWOMTUCLCNJ-ZDUSSCGKSA-N	239.428	4.644	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)C[C@H]2CC2(C)C)cc1	722857233	IWBSOKWMDWSJGE-AWEZNQCLSA-N	244.378	4.603	0	10	BJAE	
CCC(CC)SC[C@@H]1CCC[C@@H](C)C1	1458943575	DVBGEWIAUXCLCU-VXGBXAGGSA-N	214.418	4.735	0	10	BJAE	
CC=CCCCCC[C@H](C)C(F)(F)F	1888885156	WPIIPYRJGYOCPL-JTQLQIEISA-N	208.267	4.711	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CCC(CC)CC	1900719000	WYWIBKNSXUWADR-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1CCC(C)(C)C1	1902272678	WMSCQSIJKJTAAR-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC[C@](O)(CCC[C@@H]1C[C@H]1C)C1CCCCC1	1908528181	UKOAJKNZYQZBOM-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)CC[C@@H]1CCCC(C)C	1916013967	JVJANWYLXKHKFE-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)c1cc(C)c(C)cc1C	1919969224	HRNMYMHQJLVTCD-PXAZEXFGSA-N	248.410	4.646	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1CCC[C@H]1C	1920195898	FKEOVTHCNUMRSM-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	1921538709	LDSTZZGGRYDIHJ-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@H]1C=CCCCC1	1925734833	OSADRIHDOSDANQ-HNNXBMFYSA-N	242.362	4.623	0	10	BJAE	
CCC(CC)C[C@@H](N)CC1CCC(C)(C)CC1	1926386122	JLTNLDOBFLCSMT-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cc(Cl)sc1C	1933607840	OCWQVOLIIZIOAU-LLVKDONJSA-N	245.819	4.536	0	10	BJAE	
CCC[C@@H](C(=O)c1csc(CC)c1)C(C)C	1936762113	WVAQAWNBFBIMNW-CYBMUJFWSA-N	238.396	4.566	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CC1(C)CCCCC1	1940409586	ORFOXOQGNAZTRZ-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C[C@@H](O)CCCC1(C)CC1)C(C)(C)C	1940869955	PJBAVQKPXXAFBS-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1ccccc1C(C)C	1941252188	OQVBGGVCINCNQT-BBRMVZONSA-N	234.383	4.526	0	10	BJAE	
CCCN[C@H]([C@H](C)C(C)C)[C@H](CCC)C(C)C	1941269752	UXGLOARTDUGBNE-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CCCCCC1CC1	1941581063	GUFBXBJLKBVCNT-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCCNC[C@@](C)(CCC)C[C@@H]1CCC[C@H]1C	1944836454	KVPCNSSCQVWDBY-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(N)CCC1CCCCC1	1947461025	HYQJKNLYARKBTQ-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)[C@@H]1CCC(C)(C)C1	1949533455	CAIUEADCHBCAKU-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C)CC[C@@H]1CCC2(CCCC2)C1	1949551856	NHTXBNDLCHFXAI-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC)CC[C@@H]1CCC2(CCCC2)C1	1949552206	PROHOKBWFBJOCX-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@](N)(CC1CC1)C[C@H](C)C1CCCCC1	1950111125	LOLMXPSCBOXWTG-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H](N[C@@H]1C=CCCCC1)c1cccs1	1950617855	CXVKSVLSPHSQJG-UKRRQHHQSA-N	249.423	4.534	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](O)CC2CCCC2)CC1	1950912961	CNCMDKNFZZWQDO-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1)C1CC2(CCC2)C1	1968262252	ICKKGPWBODANPK-NSHDSACASA-N	249.785	4.721	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCCC3(CCC3)C2)c1	1968307682	NXBVXTDUVGTDCG-OAHLLOKOSA-N	243.394	4.828	0	10	BJAE	
CCCC[C@](C)(CN)CCCCCC1CC1	1978626336	KQIFUOMWHVYQKC-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1cscc1F	1982842745	YJVCPHUUHXCKDX-GXFFZTMASA-N	244.375	4.527	0	10	BJAE	
C/C=C/CCCC[C@H](CC(C)C)NCCC	1984633628	YMOHCXAETUGPHL-KEDPEKRHSA-N	225.420	4.537	0	10	BJAE	
Cc1c(Cl)cccc1C(=O)C[C@@H](C)C(C)C	1988300655	RXWOSUGNTSUQFT-SNVBAGLBSA-N	238.758	4.513	0	10	BJAE	
Cc1cccc(C)c1N[C@@H]1CC[C@H](C)[C@@H](C)C1	1995630654	TUVNCMNOOZSKQL-TUKIKUTGSA-N	231.383	4.540	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@H]1CC[C@H](C)C1	1996270934	PRUBMIFHPAZYQW-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H](O)CCC2CCCCC2)C1	1996271180	QTTOKGJMJUBOFZ-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(C1=CCCCCC1)C1CCCCC1	1996568035	QXDKARBLNQESMY-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)C1CC(C)(C)C1	1998658415	RFYRPFPPAJKDHC-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@@H]1CCC=CCCC1	2000003911	LTASTKXJJHDSDK-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC1(C)CCCC1	2000189464	XNIGODSJDJEVNX-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H]([C@@H](C)[C@@H](C)CC)C(CC)(CC)CC	2000375200	ZRWJXSDEYVFGHD-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCC[C@]1(O)C[C@@H]2CCC[C@@H]2C1	2000832337	RBTBIEIKFXZUPL-MUJYYYPQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CC12CCCCC2)NC	2001214856	GCGMYLXZKDBJDS-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@H]1CCC2(CC2)C1	2003210326	DCSQQCBSOIODKN-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CCC3(CC3)C2)s1	2003287703	MFNOPNGLZMACDZ-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H](C)c2sccc2C)CCC1	2006911716	CSLZPZLQIDTOAZ-KGLIPLIRSA-N	249.423	4.596	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@H](C)CCC)[C@H]1C	2006978441	JCGBAXFMBGDEJG-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
O[C@@H](C=C1CCCCC1)CC1CCCCCC1	2007923523	VFGXFDBUOOTKIX-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CN[C@H]1CCC(C)(C)CC[C@@H]1CCC(C)(C)C	2009405600	AJYROLFMCFISBG-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC(C)(C)CC[C@@H]1NC	2009612603	XXQGAWVEQAROAK-MUHKLVGJSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN[C@H]1CCCCCC12CC2	2011273585	CMUANPZAQPLOOR-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CCC[C@H]1C[C@@H]1C	2011560945	GTHJVZYVRCKAEB-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)C1CC2(CC2)C1	2012414375	XOMYMSZHZNLOST-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC([C@@](O)(CC)CCC(C)C)CC1	2013270595	JYTGIILGUNPHTO-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(N[C@@H](C)[C@@H]2CCC2(C)C)c1C	2014895479	JPNOHPFRMKFUFX-KBPBESRZSA-N	231.383	4.540	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](N)c1cc2ccccc2s1	2015277521	HRCIHPRJSONXKX-WCQYABFASA-N	247.407	4.583	0	10	BJAE	
CCC[C@](O)(CC(C(C)C)C(C)C)C1CCC1	2015277727	JEPMKQFBPZHNDH-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@H](N)CC[C@@H]2CC2(C)C)CCC1	2015640174	PFRAALPYBXEHMJ-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@]2(C)C[C@H]2C)CC1	2016455848	JTLXSGVHBZPJCQ-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@H](C[C@@H](C)CC)NC)CC1	2017720564	HODVPCBCPMHLRH-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](N)C[C@H]1CC[C@H](CCC)CC1	2017721474	KNOPNUBNTOMEGH-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(C[C@H](C)[C@H](CC)NC)CC1	2017730573	ISXCLUZDCLCPND-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CC(C)NCCC(C)(C)C[C@H]1CC[C@H](C)CC1	2017736541	YGLQELWGCWGJNR-SHTZXODSSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H]1CC12CCCC2	2018137860	ZMRGAMSXRBTGGD-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@H](CC)NCC[C@]12CCC[C@H]1C2	2018138989	NBLGUCKFBUOPBV-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC2CCC1CC2	2018139495	SFZJRUOMUCDGFG-SSHXOBKSSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H]1CC[C@H](C)C1	2018182964	KOLFHZNOOYLLEJ-XHSDSOJGSA-N	239.447	4.713	0	10	BJAE	
Clc1cccc2c1ccn2[C@@H]1C=CCCCC1	2019533580	TZCKMRXQFOZTEQ-GFCCVEGCSA-N	245.753	4.966	0	10	BJAE	
CCCCN(C1CCCCC1)[C@H](C)[C@@H](C)CC	2020537230	KISWIKDZNAMMPS-LSDHHAIUSA-N	239.447	4.856	0	10	BJAE	
CC[C@@H](CC1CC(C)(C)CC(C)(C)C1)[C@@H](C)O	2024126321	XEWHISDIRPDRFY-OCCSQVGLSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@H]1C[C@H]1C)NCC	2026165257	ZWOCJIUTJAEJAV-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
c1sc(CCC2CC2)nc1C1CCCCCC1	2026607078	LPOCQLZGGIYZBB-UHFFFAOYSA-N	249.423	4.924	0	10	BJAE	
CC1(C[C@@]2(N)CCCC[C@H]2C2CC2)CCCCC1	2027308893	KHMXHLMMMMUCNC-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1[C@@H](C)[C@@H](C)CC[C@H]1C	2027793488	MWGRQVBASAYEGQ-NGOBNIPXSA-N	249.373	4.617	0	10	BJAE	
CCC[C@](O)(c1ccc(C2CC2)cc1)C(C)(C)C	2028605078	LIKPKQBKLHMSBJ-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C1=CCCCCCC1	2028749887	BAXJJCOHJUZJPU-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CC(C)c1cccc([C@H](O)C2(C)CC(C)(C)C2)c1	2029106429	VFBCAUSLQUPRSE-HNNXBMFYSA-N	246.394	4.670	0	10	BJAE	
Cc1ccccc1N[C@@H]1CC(C)(C)CC2(CC2)C1	2030279564	KZAFMCSJRJHGPM-CQSZACIVSA-N	243.394	4.766	0	10	BJAE	
CC(C)NC[C@]1(CC2CCCCC2)CC12CCC2	2032135633	OIFTVTMIQFVFOJ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1C[C@H]2[C@@H](C1)C2(C)C	2032443032	DNSPPTWWKVPPMD-YOWGUQMCSA-N	243.394	4.657	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCC1)[C@@H]1CCCCC1(C)C	2035576964	UQRPYKKHULEWRX-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@H]2CC23CCCC3)CC1	2036135401	VLJPEDQLJMGVLS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC(C(=O)c2ccc(C(C)C)cc2)C1	2036477827	PTLYYQXRPMFYNV-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCC1(C)CC(N[C@@H]2C[C@H]3CCCC[C@]3(C)C2)C1	2036659611	DAQZYUKIBRSJAE-AXRJEEMOSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(CC2CC3(CC3)C2)C1	2036724116	JMVGGYOITCYVPS-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@](O)(CCCC1=CCCCC1)c1ccccc1	2038165765	HLIDKHRXAXYDRY-KRWDZBQOSA-N	244.378	4.565	0	10	BJAE	
CC1CC(CC2(N)CC3(CCC(C)(C)CC3)C2)C1	2038897062	ISKSEPACWTYTBC-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@H]2CC23CCCCC3)C1	2039059111	ROMLKXXSHGRXGV-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCC(C)(C)C1CC1	2039432044	LATPOVAPNRDURN-NUEKZKHPSA-N	249.442	4.523	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc(CC2CC2)cc1	2040734874	GYYDKICFICYBJI-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H](C)C1)[C@@H]1CC=CCC1	2042024775	OYVMYHKNCBQEGF-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1(C(=O)c2ccc(C(C)(C)C)cc2)CC=CC1	2042096811	PBMFJBTZMJQSKB-UHFFFAOYSA-N	242.362	4.523	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CN[C@@H](C)c1ccccc1	2043074213	TWMYBYJWFZCYMT-YQQAZPJKSA-N	245.410	4.554	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)C[C@@H]1CCC=CCCC1	2045310321	NIPFEDKGMUMXNK-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(C[C@H]2CCC=CCCC2)C1	2045318281	TYSROJBEJKHXRG-IXDOHACOSA-N	249.442	4.668	0	10	BJAE	
O=C(CC1CCCC1)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047425035	QSAMSUAECOJTQO-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1[C@@H]2CCCCC[C@@H]12	2048363567	QOASAQNNJJVILN-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C)c2[nH]c(CC3(C)CCCC3)nc21	2049790336	AKLIVJOXUCYIDV-RYUDHWBXSA-N	246.398	4.533	0	10	BJAE	
CC(C)[C@@]1(C[C@@H]2CCC3(CC3)C2)CCCCCN1	2049863675	HPKCMWFBNQIUAB-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)C[C@H]1CCCC2(CC2)C1	2049866590	PSSXNPRCZOGTPH-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1CCC2(CC2)C1	2049962905	KIEIYTNCNSDRSA-LSDHHAIUSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](CC[C@@H](C)C(C)(C)C)c1ccccc1C	2050457596	DUSCVLMWAFHBBK-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1ccc(F)c(C)c1	2051398288	DYWRORURFZJDMO-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1[C@@H]2CCCCC[C@@H]12	2051400969	MBVUKJLJSYIXGA-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2CC23CCCC3)CC1	2051592073	KAZARJYVSSUCNZ-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CCCC(CCC)CNC1C[C@@H]2CC=CC[C@H]2C1	2052167239	FMABCXLWNVNUIQ-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1(C2CC=CC2)CCC(CC)CC1	2053696111	WWLNFXBABINCMY-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc([C@@H](O)C2(C)CCC(C)CC2)c(C)c1	2056558700	JEYAVHJZRSLWFK-PTXATLKXSA-N	246.394	4.553	0	10	BJAE	
CC=C(C)[C@@H](NCCC)C(C1CCC1)C1CCC1	2056776292	LEFQOMLUGPACFF-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCCC[C@@H](NCC)c1cccc(C)c1	2059248211	ZPFNPYDSBRQTFR-UKINESCASA-N	245.410	4.782	0	10	BJAE	
CCCC1CC(N[C@@H]2CCC[C@H]3CCCC[C@H]32)C1	2059397835	NYZURCXRRIHBDX-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC1(C)C)C1=CC[C@@H](C)CC1	2060925280	JXYXKOKNPCQPOJ-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC[C@@]12CCC[C@H]1C2)CC1CCCCC1	2061573154	VXZYLGZIZNSTGB-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)CC[C@@]12CCC[C@@H]1C2	2061603180	RQOGIGVOZYBUAA-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CNCC1CC(=C2CCC2)C1)CC(C)(C)C	2061634352	FTOIPUFFAAPQRG-CYBMUJFWSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@]1(CN)CCCCC12CCC2	2062647270	RNALLRQLEZCSKR-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CCC[C@@H]1C[C@@H]1C)C2	2062653933	WSTUSMKMSNJBOR-CHTYNLMKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)c1c(C)cccc1C	2068837528	SQMYBJSYCRALRY-HOTGVXAUSA-N	247.426	4.636	0	10	BJAE	
Cc1ccc2ccn(CC3(C(C)C)CCC3)c2c1	2071927075	WRLSBXJNRKTORC-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](CC)CC1)c1ccco1	2072803868	MPXDDPMHJKDDMS-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)[C@H]2CCCC3(CC3)C2)C1	2073795243	QHJWINVFGLDMQR-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
C[C@]12CCC[C@@H]1N([C@@H]1C=CCCCCC1)CCC2	2074798966	GZCJNAWBNHYPKO-IXDOHACOSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CC=CCC12CCCC2	2074898047	ACSMPAUPVSJBEP-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
CC[C@H]1CC[C@H](CN2CCCCC23CCC3)CC1	2075339655	WPXBJNLJBPNQDI-WKILWMFISA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CC[C@H](CNc2ccccc2C2CC2)CC1	2077263264	PEIUHPRFKDGVDZ-HDJSIYSDSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1	2082986140	LAHGIIMTRVHQPI-TTZDDIAXSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@@H](O)c2cccc(C(C)(C)C)c2)CCC1	2083550988	SWNYLAZMCUOBII-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1C2(CCC2)C12CCC2	2083563040	VKWAZUOJGJWUGW-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1ccccc1CC	2086045134	UFYRMRDNJNMBND-WMLDXEAASA-N	248.410	4.889	0	10	BJAE	
CCCCOc1ccc2occ(CC(C)C)c2c1	2086604734	ZZGMFVBZVMMRDP-UHFFFAOYSA-N	246.350	4.810	0	10	BJAE	
Cc1ccc(NCc2scc(C)c2C)cc1C	2213636575	MARWTJIHRAKBRY-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC1(C)CC2(CCC2)C1	2215387058	OETUOINJZCFVKR-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)[C@@H](N)CCCCCCCC1CC1	2216879428	IYJXWRGQLYTWNJ-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CNC1CCC1)C[C@H](C)CC(C)C	2217126165	SUGIDYSDMXHHTM-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@H]1CC=CCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218304200	MVVWORTYYGVKIW-JONQDZQNSA-N	246.394	4.518	0	10	BJAE	
CC1(CCNC2CC(CC3CC3)C2)CCCCC1	2218479021	XFTMTGZAJCJIHS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CCCCC12CC2	2218721512	SAJQMDMHHFUDRT-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
C1CCC(CCCNC2CCC(C3CC3)CC2)C1	2218897372	VHMPGPXSLIRYQE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](NC)c1c(C)cccc1C	2221998489	XBQWUJDFOUBJOY-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H](C)NCC1([C@H]2CCC(C)(C)C2)CC=CC1	2223554546	YMJBBSSLQVFCCI-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCC[C@](N)(CC)CC[C@H]1CCC[C@H](C)C1	2242814767	BNMFPQIYLSATRD-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cscc1C(F)F	2244806090	QZMCGEAYBKIRTD-KCJUWKMLSA-N	247.354	4.512	0	10	BJAE	
CC(C)CCC[C@H](C)CCCNC(C)(C)C	2244839466	ZCOVXOFKTVVTEN-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@H]1CCCCC12CC2	2246596910	DGTNTOYRIFJNCI-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](C)(O)CCC2CC2)C1	2246695900	VSJFEFZVMGPPDC-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H]1CCC12CCC2	2247443793	LCYVWWORVPPJEW-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
Cc1cc([C@H](O)CC(C)(C)C)cc2ccsc12	2248561840	AMOHVGNMDGXJQF-CYBMUJFWSA-N	248.391	4.679	0	10	BJAE	
CCC(C)(C)C[C@H](O)CCCCC[C@@H]1C[C@@H]1C	2248838360	GCCOGFFIROCIHQ-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC(=O)CCCCC[C@@H]1C[C@@H]1C	2248865106	GUNPNXHCUMIJPT-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCC(C(C)C)C(C)C	2250353578	WECDDOHVDGKLEE-GOEBONIOSA-N	241.463	4.848	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](C)C1CCCCCC1	2250386705	WYXLYLBJHXLKKH-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C1CC(CC(C)(C)C)C1	2251541815	GSUBSUDHLRNYKA-HSBZDZAISA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(CCC2(C)CC2)C1	2251666401	PWCVIJKLXKMXBQ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@]1(O)CC(C)(C)CCC1(C)C	2251676837	DANCNYSUNXJRLU-MOEXGYKKSA-N	238.415	4.700	0	10	BJAE	
Cc1cccc2c1N[C@@H](CC[C@@H]1CC1(C)C)CC2	2253869590	JHBRJXJGFLYGIZ-HUUCEWRRSA-N	243.394	4.548	0	10	BJAE	
CCC1(CC)CC(NCC2CC3(CCCC3)C2)C1	2254079214	PYRSZIULLMYGFE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@](O)(CCCC[C@@H]1C[C@H]1C)c1ccccc1	2254540637	ZUNYRQWBMYOFLC-INMHGKMJSA-N	246.394	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)[C@H]1C[C@@H]1C1CCCCC1	2254955041	QYEXCWHVNHPYOY-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C[C@@H]1CCCC12CC2	2255330342	MNNGXVPUIKMPMA-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)C[C@H]2CCCC[C@H]21	2257313141	UUXRXJYWQSQPER-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1C[C@@H]1C1CCC1	2257316354	QPQFAMGWFSHIHC-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(C(=O)CCCCC[C@@H]2C[C@@H]2C)o1	2257363492	YPAQIUZDMKDKMS-QWHCGFSZSA-N	248.366	4.631	0	10	BJAE	
NC1C[C@@H]2CCC[C@H](C1)C2CCCCCC1CC1	2257987631	FSSFEHZYEZUXEV-RYTJFDOTSA-N	249.442	4.501	0	10	BJAE	
CC1(CCNC[C@]23CCC[C@@H]2CC3)CCCCC1	2260577543	GGXCIEQDUKCGHH-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CCCc1ccccc1NC[C@]12CCC[C@@H]1CC2	2260593634	XVRXBFKLCLLDPV-NVXWUHKLSA-N	243.394	4.631	0	10	BJAE	
CC(C)(C)NCC1(C[C@]23CCCC[C@@H]2CC3)CC1	2260658519	PRVYAGMQLHJWPS-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)CC(=O)Cc1cccc(C(C)(C)C)c1	2261361509	ODSSMDVBAFSEPG-CYBMUJFWSA-N	246.394	4.532	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@]12CCCC[C@@H]1CC2	2298684524	KBJUJLPPFYJVLY-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(C1CCCCC1)[C@H](C)CC1CCC1	2298919135	BHTHCWXYVFDCSD-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCC[C@H]1C1CC1	2300679433	SNBIGEJAQMGQRT-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCn1ccc2c(C)cccc21	2300700474	MEAVPFGJYLGXQW-UHFFFAOYSA-N	229.367	4.776	0	10	BJAE	
CCC(C)=CC[C@H](O)c1ccc2sccc2c1	2300874606	MAKLECHXNHDORU-AWEZNQCLSA-N	246.375	4.681	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1csc2ccccc12	2300878003	WUFLGDDFTKJQGU-CQSZACIVSA-N	245.391	4.648	0	10	BJAE	
CC(=CC[C@@]1(N)CC=CCC1)CCCC(C)C	2300887202	BAAJIUHYIAAVND-MRXNPFEDSA-N	235.415	4.587	0	10	BJAE	
CC[C@@H](CC=C(C)CCCC(C)C)[C@H](C)NC	2300900838	CACTZRAEAOTAKZ-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)CC1CCCCCC1	2301240895	DPBXKDDSTYQGHK-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCc1ncsc1-c1cccc(C(C)(C)C)c1	2301774238	XHEIMMCXPAMZFJ-UHFFFAOYSA-N	245.391	4.670	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@H](C)[C@@H](C)C(C)C	2301824560	DVRBRLGGYBOREW-QKPAOTATSA-N	241.463	4.719	0	10	BJAE	
CC(C)CC1(c2nc(CC3CCC3)cs2)CC1	2302260584	YCZWOEMWFQWMKK-UHFFFAOYSA-N	249.423	4.563	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CCCC1=CCCCC1	2302313574	RFCUJIWAKGWFSB-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](O)CCCCC1CC1	2302578276	YDIYNHVYBJNPIO-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CC[C@@H]1C(C)(C)C	2303396638	BFXJSSURJALYAK-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCC[C@@]2(C)O)C1	2304397187	SHLNKAJXQMBVTQ-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)c1cc(C)ccc1C(C)C	2307506922	YAXVJJVOMMWPDF-CZUORRHYSA-N	233.399	4.554	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CC)C1CCCCC1	2307836656	ARXKBFOTZWDBLT-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@]12C[C@H](C)[C@@H]1C2	2308839776	NRSXKYCMDUVKKY-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1C)C1=CC[C@H](CC)CC1	2311274938	UDDVTGKXSQFTPL-WTTBNOFXSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@]23CCC[C@@H]2CC3)CCC1	2313289076	RSWLOLHXXZVIGD-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H]1CCCCC12CCC2	2316500947	BACVWLXDQBANJJ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(=CC=C1CCC[C@H](CN)C1)CCCC(C)C	2316569647	XLGDYWLDUSNNJD-KRWDZBQOSA-N	249.442	4.834	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316753114	UYMVAMDQPMVQMR-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@]12CCCC[C@H]1CC2	2316873473	MTQBLYNAWDKRNH-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CC1	2316873780	IDZGBXTVVNRMTN-SDADXPQNSA-N	248.410	4.598	0	10	BJAE	
CCCNCCC=CC[C@H]1C[C@H]2CCC[C@H]1CC2	2316998468	KFQMFLKXCOKIKY-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317143357	NVHMEOSHDMMQQI-WCVJEAGWSA-N	249.442	4.523	0	10	BJAE	
CN[C@H]1CC(C)(C)C[C@@H]1CCCC1=CCCCC1	2318573544	TUYYRJLPOSCBQP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(NCCCC[C@H]2C[C@H]2C)c(C)c1	2318882315	ZQTUNKDJFCIMKF-CJNGLKHVSA-N	245.410	4.850	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@@H]1C[C@H]1C1CCCC1	2318931424	CQZLPCQKFOYBSB-MMTVNHQJSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@H]1CCC(C)(C)C1	2319028155	AMUWQIIVTPBOPW-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1c(C)c(C)cc(C)c1C	2320368741	KVKHLXWMQFEHCC-GJZGRUSLSA-N	244.378	4.539	0	10	BJAE	
CCN[C@@H]1CC[C@H](C[C@@H]2CCC(C)=C(C)C2)[C@@H]1C	2320388041	MNGOHEACWILIPX-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CNC[C@]1(CC2(C)CCCC2)CCC(C)=C(C)C1	2320393944	KVMBOAIKXMJLTD-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1CCC1(C)C	2320402977	XKAFVXZWDQDHGC-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
Cc1cc(-c2ccc(C(C)(C)C)cc2)ccc1N	22154629	KIQQUCOBMKGIED-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)c1ccc(CC)cc1	35494989	BHORNNRUYCZKAI-DOTOQJQBSA-N	247.426	4.726	0	10	BJAE	
CCCCC[C@H](C)Nc1ccccc1OC(C)C	37125954	VNSMFIYWDALTDB-AWEZNQCLSA-N	249.398	4.855	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)c1cccc(C)c1	37267263	PDGWJQMMWVEWRL-CABCVRRESA-N	233.399	4.614	0	10	BJAE	
CC(C)(C)Sc1ccc(C(F)(F)F)cc1	38235395	HSJCLKBNYKBWGU-UHFFFAOYSA-N	234.286	4.596	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(C)c(F)c1	68985599	VEJMQTCZCRICFR-GFCCVEGCSA-N	223.335	4.515	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H](C)c1ccc(C)cc1C	70105797	MMCLXOIBGIMCDK-GOEBONIOSA-N	245.410	4.533	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccc(Cl)cc1	70558327	UCMDCBUAQUTMTM-SMDDNHRTSA-N	237.774	4.721	0	10	BJAE	
CCCCCC[C@@H](NCCC)c1ccsc1	71085214	SXEDTELKMKEZNU-CQSZACIVSA-N	239.428	4.759	0	10	BJAE	
Cc1cc(OC(C)(C)C)ccc1NC1CCCC1	82711020	GEGQIVORLWOASJ-UHFFFAOYSA-N	247.382	4.527	0	10	BJAE	
C[C@H]1CCC[C@H]1Nc1cc(Cl)ccc1Cl	83389577	RBQUUWNDGRHWTP-GZMMTYOYSA-N	244.165	4.594	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](c2ccccc2)C(C)C)C1	83828674	HELZTMIRWQTEAE-HYVNUMGLSA-N	245.410	4.552	0	10	BJAE	
C[C@@H]1CC(CC[C@H](O)c2ccccc2)C[C@@H](C)C1	84958461	ZHKXURJWTYCJOV-ZQIUZPCESA-N	246.394	4.573	0	10	BJAE	
CCCCCC[C@H](C)NCc1cscc1C	87309531	YOERODOHTAXQBM-ZDUSSCGKSA-N	239.428	4.505	0	10	BJAE	
CCC1CCC([C@@H](N)c2cccc(C)c2C)CC1	87934356	GCHXEQJEPUHQKF-VMBOVVBDSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2CCCCCC2)C1	87947120	NMTPTTRZNIMCML-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](NC)c1ccc(C(C)(C)CC)cc1	90483308	RSZXDLITKNSOAF-MRXNPFEDSA-N	247.426	4.825	0	10	BJAE	
CCCCCC[C@@H](NC)c1cc(C)ccc1C	97468204	GOQPYQJAKGCZST-MRXNPFEDSA-N	233.399	4.534	0	10	BJAE	
CC[C@H](N[C@@H](C)C1CCCC1)C1CCCCC1	103982423	VMAFOOAKVMBDEP-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1NC	110446133	KLIAYDQEELAQBS-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1csc(-c2coc3ccccc23)n1	131944102	KGDVAKJNFRXYNL-UHFFFAOYSA-N	243.331	4.680	0	10	BJAE	
C1=CC[C@H](c2ccc(-c3ccccc3)cc2)C=C1	136061682	HOZZFOOFJWVOJR-MRXNPFEDSA-N	232.326	4.953	0	10	BJAE	
CC[C@@H](C)c1cccc2c(C(C)C)c(CN)oc12	161377367	QLRUYJSXEPWNQM-LLVKDONJSA-N	245.366	4.528	0	10	BJAE	
CC(C)[C@H](C)C(=O)c1ccc(C(C)(C)C)s1	165356804	DARJKQOPNAZPDZ-JTQLQIEISA-N	238.396	4.520	0	10	BJAE	
CCCC(CCC)[C@H](NCC)C1CCCCC1	167186896	MIUQLVMVBKXNEX-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@H](O)c1ccc(C)c2ccccc12	167651183	IHMOGGVDXSTQSP-SJCJKPOMSA-N	242.362	4.618	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CCCCC1(C)C	226819834	XAJMUIRBHHOMFD-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC1CC1)N[C@H](c1ccccc1)C(C)(C)C	229679554	AFXCSBBCRWWPDE-XJKSGUPXSA-N	245.410	4.552	0	10	BJAE	
CC1([C@H]2CNc3ccc(Cl)cc32)CCCCC1	232822329	GMCCISTUNVNFQP-ZDUSSCGKSA-N	249.785	4.820	0	10	BJAE	
CCC(=O)c1ccc(N[C@H](C)C[C@@H](C)CC)cc1	233986705	VFPYFSRLWMWVPZ-QWHCGFSZSA-N	247.382	4.516	0	10	BJAE	
CCC1([C@@H](O)CCCC(C)(C)C)CCCC1	300829318	IBFDLEPFKKUZAW-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(CCC2CCCC2)C1	305896929	NFPGXCZEFPWGNO-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc([C@H](C)N[C@H](C)CCC(C)(C)C)c1	306039502	MYDKWEJGAPHLBM-CABCVRRESA-N	247.426	4.860	0	10	BJAE	
CCC1(C[C@@H](O)[C@@H]2CCCCC2(C)C)CCC1	310158682	QTBXQTLPUJBUET-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)cc([C@](C)(O)CCCC(C)(C)C)c1	310578556	UMGNLJORYINTTD-QGZVFWFLSA-N	248.410	4.727	0	10	BJAE	
Cc1cc(C)cc(C(=O)CC2CCC(C)CC2)c1	310930726	FCMQOALNQRSHIL-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cc(Cl)ccc1C	319673273	DHFROHBGISMUPY-ONGXEEELSA-N	238.758	4.513	0	10	BJAE	
CCCCCC[C@@H](O)CC/C=C/c1ccccc1	324000473	ISRUEUDYRHCSAM-JZUUQJBKSA-N	246.394	4.811	0	10	BJAE	
CCC[C@H](NC(C1CCC1)C1CCC1)C1CCC1	324775042	DVWYVGHFMLBKMI-INIZCTEOSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CSc1ccccc1N)C1CCCCC1	379953977	CMRPCOXRLKKNIZ-LBPRGKRZSA-N	249.423	4.577	0	10	BJAE	
Cc1cc2ccccc2n1C[C@H](C)c1ccccc1	384521386	BBYDIZYGFDTTKE-AWEZNQCLSA-N	249.357	4.753	0	10	BJAE	
CC(C)(C)C[C@](C)(O)c1ccc(C2CCC2)cc1	384675127	YWTSVAFEWNBRMZ-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@H]1c1nc(C(C)(C)C)cs1	385034119	QIGQZKHHIUWDEO-GHMZBOCLSA-N	237.412	4.734	0	10	BJAE	
Cc1cccc(C)c1C(=O)CCC1=CCCCC1	395068721	JFAPYWMYYZHFSM-UHFFFAOYSA-N	242.362	4.767	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CCC1CC1)NCC	395486614	DBDHGYWAFFSQBS-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCc1c(S)cc2sccc2c1C(F)F	396238167	JJMDVXXMNFTRCZ-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CCCCNC(C)(C)C	401615905	NLXHVKGREQJRGB-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CCCC[C@H]1C	402347444	QKMYHFYJQPSXNC-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)NCC1(C[C@@H]2CC=CCC2)CCCCC1	402385903	KEHQRIWEWORHQY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CCC(O)(CCCC2CC2)CC1	406047531	YXFMTFXPGUACAM-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(CCn1ccc2ccc(F)cc21)C1CC1	406052475	DVKGJCXDGUSODP-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
Clc1ccc2c(ccn2CCCC2CCC2)c1	688857236	PIBWBYSPFPIUSR-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CC1(CNc2cccc(C3CCC3)c2)CCC1	690135925	YEMIXMWRYGKYMF-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cccc(C)c2N)cc1	690320106	JGNHBGDLHGNFOX-LBPRGKRZSA-N	239.362	4.758	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cccc(CC(C)C)c1	696175335	CNGIVKLXPSVWSB-MRXNPFEDSA-N	247.426	4.711	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1csc2ccccc12	697284714	HTXFMRLEQBZYJH-CYBMUJFWSA-N	248.391	4.761	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCCC23CCC3)CC1	697565788	BKNDEELXONHHRQ-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CC(C)=CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1N	697767723	RXLNACSVMCRJDV-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
Cc1ccc(-c2ccc(C)c3ccccc23)c(O)c1	699641587	JATLJYVHTSHPBC-UHFFFAOYSA-N	248.325	4.829	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CNC(C)C)C[C@H]1C	703334672	YSOHUGDWTJMVLG-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)CC1CCCC1	704914833	PKIOMFHFKMFUMT-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](N[C@@H](C1CCC1)C1CC1)C1CCCCC1	705355863	QTCMSOXQTLUYMM-IRXDYDNUSA-N	249.442	4.514	0	10	BJAE	
C1=CC[C@@H](CCNCC2CCCCCCC2)CC1	706870145	RHUIELMQFMEFHG-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H](C)CC(C)(C)C	708272189	DFCDQEMWBAJVND-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@H](CC[C@@H](N)c1ccccc1)CC(C)(C)C	709100046	DZFKGTRPIISZDX-UKRRQHHQSA-N	233.399	4.539	0	10	BJAE	
CCC(CC)(CC)NC[C@@H](C)CC(C)(C)C	709217850	FGCKGJQUKSIYHZ-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1ccccc1C(C)C	709219199	JGPCVHLDZCXLOP-ZDUSSCGKSA-N	232.367	4.675	0	10	BJAE	
CC[C@H](N[C@H](C)C(C)(C)CC)c1ccsc1	710056225	DKSPLHFMUSZLRD-YPMHNXCESA-N	239.428	4.614	0	10	BJAE	
CCc1ccccc1[C@@H](N)C[C@H](CC)C(C)(C)C	711117444	GEIANYARROFXFJ-HOCLYGCPSA-N	247.426	4.711	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)C12CCC(CC1)C2	711205463	JGWLLSIQRDCILH-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C[C@@H](N)C1=CCCCCC1)C(C)(C)C	711215610	VJGKQYUMQBACQR-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1cscc1C(F)F	717194352	SUIXXUPGZBTUKT-GZMMTYOYSA-N	247.354	4.512	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCC[C@@H](C)C1	719176550	ZNEQTNFEHKXQKM-TZMCWYRMSA-N	222.372	4.518	0	10	BJAE	
CC(C)=C(C)CCC(=O)C(C1CCC1)C1CCC1	719181078	RFFZBGUUTOITDP-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@@H]2CCC[C@H]21	722078890	PIKMQMROYAIKEK-ARFHVFGLSA-N	243.394	4.548	0	10	BJAE	
C[C@@H](SCCC1CCC1)c1ccc(F)cc1	1307292469	DJQYXRHMSRTEQR-LLVKDONJSA-N	238.371	4.810	0	10	BJAE	
CC(C)(C)CCCNC(C)(C)C1CCCCC1	1645431977	UMUHNDWRCDRHTF-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC=CCCC[C@H]1CCCC(F)(F)C1	1885361764	ISSCZOPNHIKSET-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
CCc1cscc1NCCCC[C@@H]1C[C@H]1C	1902380621	DUEZMWUOEGVBEU-DGCLKSJQSA-N	237.412	4.549	0	10	BJAE	
CCC[C@H](C)c1nc(C2CC3(CC3)C2)cs1	1903433271	AKVSNSBRHJBMAS-JTQLQIEISA-N	235.396	4.704	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1(CCC)CCC1	1905375084	UBGMZDSLOJTWFA-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H](CC)CCC	1905431008	GGOFXHDPOMOMMV-ZDUSSCGKSA-N	226.404	4.988	0	10	BJAE	
CC=C[C@H](NCCC)c1cc2ccccc2s1	1911976477	ISVHUXFMKMSJEY-ZDUSSCGKSA-N	245.391	4.518	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CCC=Cc1ccccc1	1912103085	MXMZLRAGVMELGA-INIZCTEOSA-N	246.394	4.667	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCC2(CCCC2)C1	1916435633	OWJYFUKRKFEARF-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]3C[C@H]3C2)c2sccc2c1	1917358459	QOSKTWQBTHPCII-FRRDWIJNSA-N	243.375	4.502	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1920183233	SDQHNDAAZGFTNF-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C[C@@H]1CCNc1cccc(C2CCC2)c1	1921556580	AAGOQXLEKVBAKQ-HNNXBMFYSA-N	243.394	4.802	0	10	BJAE	
Fc1ccc2ccn(C[C@@H]3C=CCCCC3)c2c1	1925795158	RJTLAJRCJHEFLS-CYBMUJFWSA-N	243.325	4.527	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC[C@@H]2C=CCCCC2)C1	1925942633	LBCDRQRZEBDGBT-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1cc(Cl)cs1	1928725436	WPDLCTBHHPVYFW-SKDRFNHKSA-N	246.803	4.507	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)CC1CCCCC1	1940242665	FNJXMLOMTBTPJM-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](CCCC1(C)CCCCC1)C(C)(C)C	1940405949	DNEBIBYXRBULBK-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCCCC1(C)CC1	1940845413	GOXCCYDSUWSPHQ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(O)(CCC[C@H]2CC2(C)C)CC1	1940872592	NLKZAVYUWKUSJB-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CCC(C)(C)C1CC1)c1ccc(N)cc1	1940970426	IYGLLALCBMYUNA-LBPRGKRZSA-N	231.383	4.589	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H]1CCCCC1(C)C	1942658579	HECNGSGJHFFHNR-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@]1(C)C=CCCC1	1943137690	IXJNUZHJIPKVLA-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCCNc1cccc(C2(C)CC2)c1	1944596239	LVSYHNXBWWJPOK-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C(C)(C)C(C)C	1944667337	BQJJAZARTGUJCQ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cccc2sccc12	1945957524	ICHADIOZTBRYAP-ABAIWWIYSA-N	248.391	4.761	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@]1(N)CCCC(C)(C)C	1947454926	BODKVHZOUSYIEM-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1947854884	BYRVDWGCISJDJO-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC1=CCCCCCC1)NCC	1948428784	IMCLHJDTEXOKGR-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1(C(C)C)CCC1	1948933371	WGZBKDMROCXAMJ-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCCCC1CCC1)C(C)(C)C	1949827415	MADKLGHKXAUHTN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC=CC[C@@]1(CNCC)CCCC(C)(C)CC1	1950912918	BXJNAQPHZDQYRK-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCc1ccc(NC2C[C@@H]3CCCC[C@H]3C2)cc1	1968314049	OHIGSEOIRYNTPT-GJZGRUSLSA-N	243.394	4.630	0	10	BJAE	
CCCC1CCC(CN[C@H](C)c2ccco2)CC1	1968839631	ULNNOKNBGMWZOS-WLYUNCDWSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H](N[C@@H](C)C1CC2(CCC2)C1)C1CCC1	1969867425	UOUSQJKSKHHKIE-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(N[C@H](C)CCC(C)(C)C)C1	1970302858	OQBBGKQGQXUVRS-WLYUNCDWSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N1Cc1ccc(C(C)C)cc1	1971799402	HHMJVAMOWFSXNV-RHSMWYFYSA-N	245.410	4.573	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(O)C1(C)CCCCC1	1975570334	GOGNSHQMMFDBIZ-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
C1=C[C@@H](CC2CC(C3CCC3)C2)CCCC1	1983822866	YYMCHFDZCRAJQN-VQCLRJIVSA-N	218.384	4.949	0	10	BJAE	
CCCCC[C@@H](CC)NC1CC(CCC)C1	1990097964	KXCRJNQXAIFHNS-SHARSMKWSA-N	225.420	4.514	0	10	BJAE	
CCCC1(CC(=O)C[C@@H](C)C(C)(C)C)CC1	1990602570	WAXMUEJPIZYSJR-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CCN(C)[C@@H](C)CCC(C)C	1990900237	LQONBODTMUSRSD-AWEZNQCLSA-N	227.436	4.569	0	10	BJAE	
CC[C@H](C)c1csc(C2C[C@H]3CC[C@@H]3C2)n1	1992832881	UOJGBLKTQKSSFW-HBNTYKKESA-N	235.396	4.560	0	10	BJAE	
CCC(C)(C)CCN[C@@H](C)C1(C)CCCCC1	1995986213	DBMSWZQMDWZLQB-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@](C)(O)CC2CCCCC2)C1	1996250562	QDOCNGUITSVLIZ-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CC12CCCC2)NCC	2001218445	XFIXNEVZVXFHOQ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@@H](CC)C(C)C)CC1	2002928762	ZQHZDRFXZJGZKR-LMPOIIKSSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)[C@H]1CCC[C@@H](C)C1	2003019861	XXXALRRIEXYRRR-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C[C@H]2CCCCCC[C@@H]2O)CC1	2003101404	WLCDNOJUCXYBLJ-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@@]1(C)C=CCC1	2003329911	OIYHSAUDNABDBW-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@]1(C)C=CCC1	2003330899	UQMFMKYDBSNFHG-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1ccc2sccc2c1	2004229669	UGAOUPCVTGOIQS-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CN)CCCC12CC2	2005602544	SPCFXFYUACJFKC-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)CCCC2CC2)CC1	2007693510	GBSZPRXJEWXZNK-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1CC(CC2(N)CCCCCCC2)C1	2007753433	DRWWBPQCNOFGAE-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@]1(C)CC[C@H](C)C1(C)C	2009626269	FCCKWNPTMOBTMI-RXDJVFEXSA-N	237.431	4.523	0	10	BJAE	
CCCCCC[C@](C)(O)C1=CC[C@H](CC)CC1	2010713041	LDCKYCZDCWMWBV-HOCLYGCPSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C1=CCC(C)(C)CC1	2010735199	BPQYQWVIEXOSQA-BBRMVZONSA-N	237.431	4.523	0	10	BJAE	
CCCC(N)(CCC)C1CC2(C1)CC(C)(C)C2	2012111374	UNHYEZILLRJPTN-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC12CCC(CC1)C2	2012835621	YQMZFPQLMAXYTR-LMPOIIKSSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC1(CC)CCCC1	2013265806	ZZPPOEQOJKMIHU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C)c1cscc1C1=CC[C@H](C)CC1	2013604631	OXFVHRMWMZVGJN-NWDGAFQWSA-N	249.423	4.622	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)CCC(C(C)C)C(C)C	2015347181	NJKGMPWBGZGNPA-HOCLYGCPSA-N	241.463	4.704	0	10	BJAE	
CCC1(C[C@@]2(O)CC(C)(C)CC[C@H]2C)CCC1	2015591292	FJKUGPWYZUPEIH-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCC(C)(C)C2)CCC1	2015643171	YYXNNGKLGDOQBY-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)CC1(C(C)(C)C)CCC1	2017115059	SWAXJFLSRYJZDX-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C(C)(C)C(C)(C)C	2017487645	SJEDXTCOPQTYSH-AWEZNQCLSA-N	239.447	4.783	0	10	BJAE	
CCC[C@H]1CC[C@H](CNCCCC(C)C)CC1	2017661405	BWGNOUCKOWVBRB-WKILWMFISA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CCC(C(C)C)C(C)C	2017701266	RAHZGXCJAJAQJZ-INIZCTEOSA-N	242.447	4.882	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)C(C)(C)C(F)F	2017797038	QDCQUWZPOIBBHC-NWDGAFQWSA-N	249.389	4.615	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@@H]1C1CCCC1	2018130231	NFASSNAGUYIAGD-ARFHVFGLSA-N	237.431	4.514	0	10	BJAE	
CCC1(CC)CC(O)(CCC2=CCCCC2)C1	2019773947	RAVLSKBIKKXCEV-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1([C@@H](O)C[C@@H]2CCCC(C)(C)C2)CCC1	2024125746	VICPPUAIEYXZAA-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC1CC(C[C@@H](O)CCCCCC(C)C)C1	2025342859	DPFVDOZQRUQPNV-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1CC[C@H]2CCCC[C@H]2N1	2027837231	PQLSSGJAZDJPIR-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)c1cc(C)ccc1C	2029966117	GECJZUQAIBDFNF-CZUORRHYSA-N	247.426	4.780	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(N)C1=CCCCCC1	2037100810	IOOVRWBMRNZNKD-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
NC1(CC2C[C@H]3C[C@@H]3C2)CCCCCCCCC1	2037146216	VBBKJKGXHZXMMX-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
N[C@]1(CC2CCC=CCC2)CCCC12CCCC2	2037207809	HYKBVGVQJQMEER-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)C1=CCCCC1	2037983130	VGWPQZVFROLOAB-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@H]1CC12CCCCC2	2039013420	XOPYTIPLHPBFLM-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@H]1C=CCCCC1)c1cccc(C)c1	2039031754	HRFTWWREYMWCPR-IRXDYDNUSA-N	243.394	4.535	0	10	BJAE	
CCCN[C@H](C[C@H]1CC1(C)C)[C@]1(C)CC=CCC1	2042018670	HWBDGALNCNLXSB-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)[C@H]1C=CCCC1	2043187785	OJTLIYXRQTWTKV-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](C)C1N[C@H](C)CC1=CCCCC1	2043193863	IOIWSWQSTMTFNH-SOUVJXGZSA-N	249.442	4.680	0	10	BJAE	
C[C@@H](N[C@@H]1CCC12CCCCC2)C1CC(C)(C)C1	2043543033	HBRAUAIJBPRWPD-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)[C@@H]2CCCC(C)(C)C2)c1	2045506503	QNZFTHUMGPRBOR-ZBFHGGJFSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1C[C@H]1c1ccc(C(=O)C[C@@H](C)C(C)(C)C)o1	2045557830	VPBXMRZYJZEEPB-IJLUTSLNSA-N	248.366	4.658	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H]2CCCCCC[C@@H]21)C1CCC1	2047436769	GYYHOQFJBZALRK-LTIDMASMSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CC[C@@]1(CNCC(C)C)CCC12CCC2	2047939540	OGAWYFUBNPKXDI-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2048370298	UDFDCZUNULWVQT-SCAQPMJSSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@@H](C1CC(CC)C1)[C@]1(C)CC=CCC1	2048589979	KGBDJNBISSKLLC-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2048616279	HULCJIRDJYMEPE-YLZDHBLKSA-N	248.410	4.598	0	10	BJAE	
CNC[C@]1(C[C@H]2C=CCCC2)CCCC(C)(C)C1	2049507905	DQXSCBDCVYBORA-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
C[C@H](Nc1ccccc1F)[C@H]1CCCC(C)(C)C1	2049528044	GTSKQNJNRFXBRV-STQMWFEESA-N	249.373	4.843	0	10	BJAE	
NC1(C[C@@H]2CCC3(CC3)C2)CCCCCCCC1	2049858371	OWRKKEQKQXSCEO-OAHLLOKOSA-N	249.442	4.789	0	10	BJAE	
Cc1ccc2c(ccn2C[C@H]2CCC3(CC3)C2)c1	2049955393	ULBACSKZILGNNI-AWEZNQCLSA-N	239.362	4.530	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)[C@@]1(C)C=CCC1	2050006346	MLGHKUJHOURODR-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2051593831	HLOPREKXONWRLB-ZIJBQXMVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC=C([C@]2(O)CCCC23CCCCC3)CC1	2060920383	DPCYCLJRAQQPNX-RHSMWYFYSA-N	248.410	4.598	0	10	BJAE	
Fc1ccc(CCC2CC(=C3CCC3)C2)cc1F	2061729063	RRPPZKJGUAUILP-UHFFFAOYSA-N	248.316	4.788	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCCCC12CC2)C1CCC1	2062019862	KVQAFRIPPOOLHH-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccc([C@H](N)CCC[C@@H]2C[C@H]2C)cc1	2062618969	HHJOUJNDUYBEFU-KBRIMQKVSA-N	245.410	4.636	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNC1(C2CCCCC2)CCC1	2062642056	NITKNFYYJSEELB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)C2CCC3(CC2)CC3)C1	2062818823	IMKIJYLATPVGJK-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CC=CCC1	2063523426	BPVUFZQAIOPZBA-MPTYRVRUSA-N	246.394	4.518	0	10	BJAE	
CCCC1(C[C@@H](N)C2CC(=C3CCC3)C2)CCC1	2069342370	NXVJQXJQXWXBAY-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CC(C)C1(CC[C@@](C)(O)c2ccccc2)CCC1	2071909176	WJIPXOFBAFSJDH-MRXNPFEDSA-N	246.394	4.501	0	10	BJAE	
CC(C)=C(C)CN1CCCC[C@@H]1C1CCCCC1	2072409608	ONMCUALPUSADQM-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
CCCC1CCC(C[C@@H](O)c2ccccc2)CC1	2072665709	UGCCSCDFNGMWOT-VMBOVVBDSA-N	246.394	4.717	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CCCC23CC3)CC1	2072801127	KXOLDOMDACAKMB-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@](O)(CCC)c2ccccc2)CC1	2074619098	MUYZAIRIENUTBO-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)c1ccc(C)cc1C	2074634478	RFITWSSXDYPOKY-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCN[C@@H]1[C@@H](C=C2CCCCC2)CCCC1(C)C	2076402665	VGJXDOIKRPJBHN-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CC[C@@H]3CC[C@@H]32)c1	2077264918	DNUSDNSQTVEWJV-JLJPHGGASA-N	241.378	4.555	0	10	BJAE	
CCCCc1ccc([C@](C)(N)CCC(C)C)cc1	2078004279	XKILCBXLFVXANB-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CC1CC(CC(=O)[C@H]2C[C@@H]2C2CCCCCC2)C1	2079489003	WLSJMNFPCXAUFG-GMEATFMZSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2C[C@@H]2C(C)(C)C)c1	2079618722	HERNISJBCRGJSP-ZBFHGGJFSA-N	245.410	4.904	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@H]2C[C@H]2C2CCCC2)C1	2079852485	QSQCPYCAFXMEAH-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)CC1CCCCCC1	2080255421	JVHIIZHDCZPNRS-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCCC[C@H]2[C@@H]1C1(CCCCCC1)[C@@H]2N	2083262839	HALLXTGKMAFYOZ-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H](N[C@H]2CCCCCC23CC3)C1(C)C	2084368722	RIMAPHQHIBSOAL-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1N[C@@H]1C[C@H]2CCC[C@H]1C2	2086154830	XUFRVVJWSIFDPZ-JLJPHGGASA-N	243.394	4.630	0	10	BJAE	
CC[C@@H](C[C@H](N)CCCCC1CC1)C(C)(C)C	2214566068	SDEFSQZVAGNJHV-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCC1(C)CCC(O)(CCCCC2CC2)CC1	2214571782	XWPYKSDZDSDRLB-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC1CCC(C)([C@@H](O)CCCCC2CC2)CC1	2214581875	OGIOJRCGTBLCRT-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](N)C1CCCCC1	2214769452	YUQBWNZSUBPVBA-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@]1(N)CCCCCC1(C)C	2215244408	GUCZROMWWBZEMS-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(O)(CC2(C)CC(C)(C)C2)CC1	2215382383	FHCDXKBVRGYQDL-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC1(CCC(=O)c2cccs2)CC2(CCC2)C1	2215436869	ZISMOJAELUVSQU-UHFFFAOYSA-N	248.391	4.681	0	10	BJAE	
CCCCCC[C@@]1(N)CCC[C@H](C(C)(C)C)C1	2216250328	APPJYZDOMZFMER-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc2c(c1)SCC2	2216719741	DZFZGRHSUZKWCG-CYBMUJFWSA-N	249.423	4.716	0	10	BJAE	
NCC1(CCCCCCCCC2CC2)CCC1	2216878437	CNIBAAIAWMLKLM-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CCC(C)(C)C)C1CC1	2217146071	VXVDWYWFMZABMV-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](CC2C[C@H]3CCC[C@H](C2)C3)C(=O)C1	2218336644	XGKYRVGHQUQYOO-ORIJERBGSA-N	248.410	4.598	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@](N)(CCCCC1CC1)C2	2220042311	SMILTQWCDROYNV-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc([C@@H](N)CCC2(C)CC(C)(C)C2)c1	2221032644	KSLJJVYWMMEBFG-HNNXBMFYSA-N	245.410	4.601	0	10	BJAE	
C[C@@H](C(=O)CC1(C)CC2(CCC2)C1)C1CCCC1	2221085122	AZIAZVATUKLMLI-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@@]1(C)CC=C(C)CC1	2221640370	LJZNYAARNKKNRA-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@]2(C)CC=C(C)CC2)C1	2221643511	NTROUOBVUGRSLW-VYDXJSESSA-N	248.410	4.908	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1C[C@H]2C[C@@H]1C2	2223115649	YOQKFEKCNQXOCH-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@]1(CNC2CCC2)CC=CC[C@@H]1C	2223538874	GIAPNEQZXJIFLG-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(CCC2=CCCCC2)c(F)c1	2243329764	HCVHTLJVPIKVOR-UHFFFAOYSA-N	218.315	4.567	0	10	BJAE	
CCC[C@H](CCCC[C@@H]1CCC[C@H](C)C1)NC	2246659438	IMGULIMTSJYZFF-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CC[C@H]2CCC[C@@H](C)C2)C1	2246726307	JNWWYZDGLCXCFK-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](CCCC[C@H]1C[C@H]1C)NC	2247159455	NHXBGGJCBJMLRA-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)CNC[C@H]1CCC1(C)C	2247394468	OOBPIHIUFVMKEV-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@H]1CCC12CCC2	2247433853	PQMBWEIKTWENIZ-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1=CCCCC1)NC	2247459394	WLAVJEITKSIUOU-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC(C)Oc1ccccc1CC1=CCCCC1	2247501099	PPVLEGDCFBPWEF-UHFFFAOYSA-N	230.351	4.517	0	10	BJAE	
CC[C@](O)(CC[C@@H]1CCCC12CC2)C(C)(C)C	2247617220	QZPNKLNFNWEQQG-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC(=O)c1cc(C)c2sccc2c1	2248555260	HSYHKBDCQDDHDQ-UHFFFAOYSA-N	244.359	4.749	0	10	BJAE	
CCC1(C(=O)CCCCC[C@H]2C[C@H]2C)CCC1	2248866016	MUUFQWYETZLBMH-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@H]1C[C@H]1CCC)NCC	2250351680	FPTWAKOXQWPELZ-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC1CCC(CC)CC1	2250357443	IFXCVCXXTUBUBC-FJBKBRRZSA-N	239.447	4.747	0	10	BJAE	
CC[C@@](C)(CC[C@H](C)CCCC(C)C)CNC	2250493094	YSQRJUBJUKPXHW-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)[C@H](N)CC1CC(CC(C)(C)C)C1	2251584420	FCXHITWBETXNOR-SSDMNJCBSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H]1[C@H](NCC)C(C)(C)CCC1(C)C	2251722796	UMBFMGIXDDKIQR-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)C1)C1(C)CC=CC1	2253660536	DCFAWMWVBAFPBS-HWOWSKLDSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](C[C@H]1CCCCC12CC2)C1=CCCCCC1	2253780020	CSMQWHYXYBLTHN-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)CC[C@H]1CCCCC12CC2	2253808517	PHXWTMZUEGMDPU-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@H](N)CC[C@H]1CCCCC12CC2	2253821028	ZKYCBRMXOVNVOY-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C1CCC1)[C@H](N)CC[C@@H]1CCCCC12CC2	2253844360	QYYIZXUSSJUMGB-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
CCCCN(CC[C@@H]1CCCCC12CC2)C1CC1	2253848115	AFSQLKLQSZWKJL-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2CCCCC23CC3)CN1	2253887557	XLNWXHCKLXESAT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@@H](N)CCCC[C@H]2C[C@H]2C)c1C	2254609072	LUZYBPMJUHIZGU-KMFMINBZSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CC[C@H]1CNc1ccc(C2CCC2)cc1	2254960740	KOQSHBYNAAXKLT-HNNXBMFYSA-N	243.394	4.802	0	10	BJAE	
CCCC1([C@H](C[C@H]2CCC23CCC3)NCC)CC1	2255029068	YTCVIFVKTNPXIV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@@H]2CCCC23CC3)CC1	2255222219	AHGRLDSMPUGPSR-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1NC1CC(C(C)(C)C)C1	2256144679	PPIQLYZJWHPTIE-UHFFFAOYSA-N	249.373	4.625	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@@H]1CCCC[C@@H]1C)C2	2259575716	AGWVKAJDWMCWNS-QIBWPRNXSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@]23CCC[C@@H]2CC3)CCC1	2260494831	WLLCULCFICHVQV-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@]23CCCC[C@@H]2CC3)C1	2260517379	AXAMQVQZEHMZNP-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1CC2	2260579438	REBAJMUSPCBVAJ-OEUWWYETSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(N)(C[C@]23CCC[C@@H]2CC3)CC1(C)C	2260648592	SKPLHXZIHSZYNU-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)C[C@@]23CCCC[C@H]2CC3)C1	2260673318	RKERKSZBOZSYFO-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCNc1cc(C(C)C)ccc1C	2300459010	MEVXNXNJRFXXFU-AATRIKPKSA-N	231.383	4.887	0	10	BJAE	
CCN[C@@H]1C[C@H](CCC(CC)CC)CC[C@H]1C	2300677278	XWSBTZNNRIHHMS-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC1(N)C[C@H]2CCC[C@@H](C2)C1	2300696969	JMQVUGGGEKCAGP-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@@]1(C)CC=CCC1	2300698068	WMMCIEOUJFQMIV-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@@]1(CCC(CC)CC)CCC[C@@H]1C	2300702340	WLJXTCZPUBDBIL-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC(C)=CCC(=O)[C@]12CCCC[C@@H]1CCC2	2300926907	QABPGHRIRNRRRM-ZBFHGGJFSA-N	234.383	4.662	0	10	BJAE	
CCC1(C[C@@H](CCCCC2CC2)NC)CCC1	2302578115	WIAPJUPCWJVJRT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(CCC[C@H]1CCCC[C@@H]1N)C(C)C	2302661548	OWXCGJFGVQOHOB-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@H]1CC[C@@H]1C(C)(C)C	2303475660	NBZGIJLCSVHHHT-DVOMOZLQSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2CCC2(C)C)C1	2304418802	TZSSBVBRVZSYRA-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](O)c1cc(C)ccc1C(C)C	2307517979	CEMCJNRMNCBXRO-INIZCTEOSA-N	234.383	4.732	0	10	BJAE	
CCC[C@@H](CC)CC1(CNCC)CC(CC)C1	2307843837	PMAWXUOOGRZXAT-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C=C1CCC(C)(C)C[C@H]1CN)CC	2307910089	WYEITNHUZJDFPK-HIFRSBDPSA-N	237.431	4.524	0	10	BJAE	
CC(C)(C(=O)[C@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1	2309127646	JHDJOFSUTHVURT-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
NC1([C@H]2CC[C@@H]3C[C@@H]3C2)CCCCCCCCC1	2309132743	JLJPPSVJEHVGPV-OAGGEKHMSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C(=O)[C@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309180559	FTUSBTQZNOQKEE-QEJZJMRPSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]2C2CCCCC2)C1	2311536798	CHBMMYFEBRXJGQ-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C(=O)C(CC1CC1)CC1CC1)C1CCCC1	2313635335	QSWAQIIGNXXDFN-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H](C)CC2CCC2)c1	2313643761	ZWSIXJKHLNMAMY-ZDUSSCGKSA-N	244.378	4.621	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	2313674060	WGKQJLWLMOQYRR-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCC=C(C)C1CC1	2315276508	PDVBFNLSPHMJMM-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCN1C[C@@H](C)[C@H]1c1ccccc1	2316238715	FPEVAKTUKMZRTP-PBHICJAKSA-N	245.410	4.506	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1ccc(CC)cc1	2316504008	SPCDOWILIPERMR-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CCC(C)=CC[C@](O)(CC(C)C)c1ccccc1	2316541792	JTJXDGVKRMGRDS-KRWDZBQOSA-N	246.394	4.667	0	10	BJAE	
C1CCCC(CN2CCC23CCCCCC3)CC1	2316874301	QYZPVUKRXSUCKF-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
C[C@](N)(CC1CCCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2	2316886241	QEGYADRVYVIFQU-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)N1	2316940227	OPCPVQIZJGXGEO-SMLCLMEVSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CC1[C@@H](C)[C@@H]1C	2317903156	BZQJPDJAAPOREB-OFQRWUPVSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](CNCCCC2=CCCCC2)C1	2318528598	HOIVKBQNOLRIMS-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)[C@H]1CCC2(CCCC2)C1	2318936229	NBWXPGGZBBZCGN-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2CCC(C)(C)C2)CC1	2319132845	DPXRKIXRSNNRLK-PBHICJAKSA-N	248.410	4.908	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CC[C@@H]2C(C)(C)C)c1	2320258133	KFECTBGRFQFIES-ZFWWWQNUSA-N	244.378	4.640	0	10	BJAE	
CNC[C@]1(C[C@H]2CC[C@@H](C)C2)CCC(C)=C(C)C1	2320268189	NIIQGSNSVVHXJR-XOKHGSTOSA-N	249.442	4.539	0	10	BJAE	
CCCC1CC(N(C)C[C@@H]2CCC(C)=C(C)C2)C1	2320330949	MVSLXIFSLVZGRB-AQFXKWCLSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(CN)CCCC2(C)C)CC1	2320331951	UHWJAXAGEBQYHR-WBVHZDCISA-N	249.442	4.668	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2C[C@H](C(C)(C)C)C2)CC1	2320425227	VZBJXJDOQUGDGO-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@@H](N)Cc1cccc(C(C)C)c1	2320630514	HYZANBDZLUFBMU-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCC[C@H]2C(C)C)c1	2321091156	IRQDYFVCUUPHLK-HOTGVXAUSA-N	249.373	4.625	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H]2CC(=O)C[C@H](C)C2)c1	2327780524	CLARNPFBYQCPCL-ZIAGYGMSSA-N	244.378	4.591	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1C[C@@H]1c1ccccc1	2328296429	ZMGZICURTFMZBV-IMJJTQAJSA-N	244.378	4.576	0	10	BJAE	
CC[C@H](C)Nc1ccc(Oc2ccccc2)cc1	20548547	PRIWDNSFVIAXKM-ZDUSSCGKSA-N	241.334	4.689	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cc(Cl)cc(Cl)c1	21011827	IMUMPLHXHJNCOM-DTWKUNHWSA-N	246.181	4.840	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)Nc2cccc(F)c2)c1	21806127	PJVZCWYRINVRDN-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@H](C)CC2CC2)cc1	70100596	UGJHAXCETTYMBP-KGLIPLIRSA-N	245.410	4.649	0	10	BJAE	
CCCN[C@@H](c1ccc(C)c(C)c1)[C@@H](C)C(C)C	70123459	NBTPMZPCLVQBNX-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
Cc1ccc(-c2cc(C)c(Cl)cc2C)cc1N	70475980	VRWWUDRCAJOBFC-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1ccc(CC)s1	71085879	VQNMBIPQNLHNKQ-RISCZKNCSA-N	240.412	4.560	0	10	BJAE	
Cc1cccc2sc(C3CCCCC3)nc12	75841353	QCUVNNVKONBFDK-UHFFFAOYSA-N	231.364	4.652	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC(C)(C)C2)c(C)c1	79970338	QGFBJQHWKFTTAN-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H](C)c1ccccc1	87181206	VALUZHUEZNFDRK-ZBFHGGJFSA-N	234.383	4.512	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CNC)c1ccccc1	88097221	XHRGKQAPWYFWOE-WBVHZDCISA-N	247.426	4.596	0	10	BJAE	
CCSc1ccccc1NC1CCCCCC1	103969745	WQTPQKCVBUYWBU-UHFFFAOYSA-N	249.423	4.933	0	10	BJAE	
CCCC[C@H](C)N[C@H](CC)c1ccc(CC)cc1	103974884	RYCVZAJSKDHUIL-WMLDXEAASA-N	247.426	4.868	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C)c1cc(C)cc(C)c1	132594719	FTPISUZCPPCZBT-HUUCEWRRSA-N	233.399	4.533	0	10	BJAE	
CC1(C)C=C[C@@]23CCC[C@](C)(CC[C@@H]12)C3	136664568	MKZIRHIVARSBHI-NWANDNLSSA-N	204.357	4.559	0	10	BJAE	
CC(C)NC[C@@H]1CCCC[C@H]1CCC(C)(C)C	155622085	HVYRKJSULKALEI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C(=O)CCC(C)(C)C)ccc1Cl	168131300	VLLKSPUVJPZNSA-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCCCCC[C@H](O)CCC1CCCCC1	168234974	JNUCORUURXIMCP-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CSc1cccc(N[C@H]2CC[C@H](C)C[C@@H]2C)c1	221607225	KYZIYKXJLCWTND-HUBLWGQQSA-N	249.423	4.645	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@H]1CCCC1(C)C	226557537	YFZJALNVRIVJLM-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1cccc2ccsc12	228967251	VTMGAIYOEKOZPP-BXUZGUMPSA-N	247.407	4.598	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CCCC[C@H]1C(C)C	251416500	OZVHADBOBVRGRU-HRCADAONSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1[C@@H](Nc2ccccc2Cl)CCC[C@H]1C	252218222	YHLDQSLDVDMCCC-MDZLAQPJSA-N	237.774	4.577	0	10	BJAE	
C[C@H](CC(=O)CCCC(C)(C)C)C(C)(C)C	300821451	HDBKTGFYMGEAOS-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C1=CCCCC1	302276584	IHUWYIWCFXHDNY-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)CCC(C)(C)C	304335509	DVJSNLDSBPZTBA-KBPBESRZSA-N	227.436	4.760	0	10	BJAE	
Cc1cccc([C@H](C)N[C@@H]2/C=C/CCCCC2)c1	305939551	FSWOGHJHYHUWPZ-YKPUQYGBSA-N	243.394	4.535	0	10	BJAE	
CCc1sc2cc(SC)ccc2c1Cl	306571660	ALHQJNJRKHGYNR-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Cc1c(Cl)ccc2scc(Cl)c12	306921861	SFLXETURWOLDQS-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCc1cc(Cl)cc2sc(Cl)cc12	307127922	OADHOKFZQPICTJ-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCCc1cccc([C@H](O)[C@@H](CC)CC(C)C)c1	308037616	VUSWYIPIAPYBKU-DOTOQJQBSA-N	248.410	4.745	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CC1CCCC1)NC	308051394	MEMTTYPSDISRDF-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCC1(C)CCCCC1	310313565	VREHVDCEOINDED-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@H]1C[C@H](C)c2ccccc2N1	310388180	QYUYLCPLNCYWKJ-GXTWGEPZSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)CC1(CC)CCC1	310521783	NRYXTNUNPXEGEF-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)c1cc(C)cc(C)c1	310576822	POMSWYKNHLXDJQ-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
C[C@@H](c1ccccc1)[C@@H](O)CCC1CCCCC1	310697858	WLWJKGMJLVVXDG-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)C(C)(C)C(C)(C)C	311100468	TVNJRHCPBMNJPU-OAHLLOKOSA-N	247.426	4.718	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)CC/C=C\c1ccccc1	324213469	XXIJZHFWWKMUIV-WTEYMAAXSA-N	245.410	4.503	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(O)CCC(C)(C)C	379729056	FYIATUAQNYXAGX-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CCC(C)C)C[C@@H]1CCC[C@@H](C)C1	379810130	PAQFFRJHWOIMAI-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CCc3cc(N)ccc32)C1	380773136	UDNDDYJEVQZGQQ-WWGRRREGSA-N	243.394	4.515	0	10	BJAE	
CC(C)CCCCCSc1ccccc1N	383221649	FNHSFWAWFZEOEY-UHFFFAOYSA-N	237.412	4.577	0	10	BJAE	
CC(C)(C)C(C)(C)Nc1nccc2ccsc12	383739447	XTMBTTHTMTXMEZ-UHFFFAOYSA-N	248.395	4.533	0	10	BJAE	
CC1CCC(C[C@]2(O)CCC[C@@H](C)CC2)CC1	383938541	UQVSKTKQUAUCHI-LMPOIIKSSA-N	238.415	4.534	0	10	BJAE	
CC(C)NC[C@@H](CC1(C)CCCC1)C(C)(C)C	384055812	XJHMJHWCHHKLKO-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1C(=O)C1CCCCCC1	384470366	RFEGKPMWEWGSGK-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CC(C)CNC[C@@H]1CC[C@@H]1CCC1=CCCCC1	385019600	ZNXNIWHGXHDPFV-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CC1(CC2(CNC3CC3)CCCCC2)CCCC1	386034576	YUGPKZKTYGKUAK-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
c1cc(N[C@H]2C[C@H]3CC[C@H]2C3)c2sccc2c1	386218944	JJADXWQMVRBXSN-JKOKRWQUSA-N	243.375	4.502	0	10	BJAE	
CC(C)CC[C@@H](N[C@@H]1CC12CCCCC2)C1CC1	387285461	NLMRXYSQPJZLHY-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCCC12CCC2	394729550	GMUXQRJDAJAEFL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CSc1ccc2cc(C(F)F)sc2c1C	396401960	GBJTUYJXCXRVQR-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CSc1cc(C(F)F)c2cc(C)sc2c1	396402302	GIABXLPUNGAHHI-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC[C@@H](Nc1cc(C)ccc1C)[C@@H]1CC1(C)C	397574816	FXZUJYQCSQHRSH-UONOGXRCSA-N	231.383	4.540	0	10	BJAE	
C[C@@H](C[C@H](O)c1coc2ccccc12)C(C)(C)C	404664585	YESXHFREZKAJKR-FZMZJTMJSA-N	246.350	4.539	0	10	BJAE	
CC(C)(CCC(=O)CC1CCCCC1)C1CC1	405863776	FIRLTTUZEHXMQS-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC/C(=C\C1(C(C)C)CCC1)CNC(C)(C)C	686130145	MINABOFYJNAIKK-SDNWHVSQSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)CCC1CC1	688356523	PDOSHEYJICXISW-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@@H]1C1CC1	696112765	SWOLCLWXIXDYDA-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCNc2ccccc21	696686267	GUCKXLMSBRBMHD-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCC[C@@H](C2CC2)C1	696805193	GDMYXALNEKIOIP-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)(C)CC)CNC(C)(C)C	696808462	XIVPJEJXVPKSLU-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC=C(C)C)NCCC	697758973	NPRXALICUDUTAN-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1ccccc1CC	697775324	ULEMWAUNLZPXDZ-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CCCN[C@@H]1[C@@H]2CCCCCC[C@H]2C12CCCC2	701880236	CZLCAVXYWVQAPA-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)[C@]2(C)CC2(C)C)cc1	702140196	DINZVWXXDMSFPI-PXAZEXFGSA-N	244.378	4.819	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)C1CCCCCCC1	704800374	YJHBGCSAVIMQAB-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)c1coc(C)c1	706389014	JRXDVQMLHPCMNJ-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CCNC[C@H](CC(C)C)C[C@H](C)CC(C)(C)C	709131379	WVEWVMWVWHSWRS-LSDHHAIUSA-N	241.463	4.721	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)CCCC12CCC2	709173778	CRRRWAGLUJLEDQ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@H](C)CC(C)(C)C)c1	709248993	PJCQLEGUYDVZQS-CYBMUJFWSA-N	232.367	4.558	0	10	BJAE	
CCc1cccc(Cl)c1OC1CCCCC1	709892115	HTZFHICQZFTHBY-UHFFFAOYSA-N	238.758	4.614	0	10	BJAE	
Cc1cc(NCc2cc(C)c(C)cc2C)cs1	710708914	DAIFDPPOPUTKCP-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCC[C@](N)(C[C@H](C)C(C)(C)C)c1ccccc1	710759297	FAZAZBJHSGAGTM-YOEHRIQHSA-N	247.426	4.713	0	10	BJAE	
CCCc1ccccc1OC[C@@H](C)C(C)(C)C	711126461	WOLQEAVIOBIRSC-CYBMUJFWSA-N	234.383	4.700	0	10	BJAE	
CC[C@H](C[C@@H](N)C[C@H](C)C(C)(C)C)C(C)(C)C	711193395	RQCYCVXTHPTBOJ-MJBXVCDLSA-N	241.463	4.848	0	10	BJAE	
CCCC(CCC)[C@H](N)CC(C)(C)C(C)C	713191597	RBFNRUGOKZXZHD-CQSZACIVSA-N	227.436	4.602	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)c1cc(C)cs1	713659660	ADMWFONZGKUCKO-LMVHVUTASA-N	249.423	4.620	0	10	BJAE	
C=C/C=C/CCc1cccc2ccccc12	713755750	ZFYYMMWOEYXOBZ-ONEGZZNKSA-N	208.304	4.515	0	10	BJAE	
Cc1cc(Cl)ccc1NCCCCC1CC1	720115991	CVDJLSVGQPFXSL-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC(C)C)C1(C)CCC1	720772722	GBUPFSATTXFEIU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H](C2CCCC2)C2CC2)CC1	723961186	TZWZXZVXXVMMCZ-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCC=Cc1ccccc1	1877171544	ZQJWNJZGMXIJJB-RDJZCZTQSA-N	245.410	4.504	0	10	BJAE	
CCC(C)=CCC[C@H]1CCC(F)(F)C1	1888066351	SRSXHPXESUNXEJ-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
CCC(CC)CC[C@](C)(N)[C@H](C)CC(C)C	1900716325	IQKZVOWOPQJUTM-HIFRSBDPSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC=C(C)CC	1900844153	ZXCQPQUUUSQQTG-CABCVRRESA-N	225.420	4.523	0	10	BJAE	
O=C(C[C@@H]1C[C@H]1C1CCCCC1)c1ccsc1	1910793078	IUUWJZRHSNPFGA-KBPBESRZSA-N	248.391	4.537	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C1(CC)CCCC1	1912044260	FGWRBTMHCRIATI-INIZCTEOSA-N	249.442	4.847	0	10	BJAE	
C1CCCCC(N[C@H]2CC[C@H]3C[C@H]3C2)CCCC1	1917418601	PHLPWOZBOADQGJ-ZOBUZTSGSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@@](C)(O)CCCC(C)(C)C	1919962770	VZFZOGIDLAYFNJ-OAHLLOKOSA-N	228.420	4.924	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)c1ccc(C2CC2)cc1	1920206102	YJFZMEFDGVBNIL-CXAGYDPISA-N	245.410	4.564	0	10	BJAE	
CCC[C@@H](C)C[C@@](N)(CC(C)C)c1ccccc1	1920483132	AKMHMYWXGAQKBE-WBVHZDCISA-N	247.426	4.713	0	10	BJAE	
CC(C)(CC[C@H](N)[C@@H]1CCCC12CCC2)C1CC1	1921616486	BVDBPNJMDWQFSL-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CNC)C1CCCCC1	1924104075	DYMHCRVXJYDOEM-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@H](C)NCCCCCC1CC1	1936421358	TXDLNOVJPKQPIZ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@@H](NC)c1cscc1CC	1938825579	JHYOCJXMVJRFLQ-CQSZACIVSA-N	239.428	4.541	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(O)(CC2(C)CCCCC2)C1	1940410237	QYRIKZBVWWXHGP-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)CCC1(C)CC1)C1CCCCC1	1940794219	BGPBYDACXQNHGZ-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC(CN)(CCCC2(C)CC2)CC1	1940880059	FPNUWZMYMORHHN-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)C[C@@H](C)CC(C)(C)C	1941267876	YDXXLBVSCRZKRU-KFWWJZLASA-N	241.463	4.848	0	10	BJAE	
CC(C)CC[C@H](C)c1ccc2c(c1)NCCC2	1942659025	IMZDZMKFYJGUSX-ZDUSSCGKSA-N	231.383	4.584	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H](C)C2CC2)cc1	1944500395	ZUVUWHCKMAIRGV-STQMWFEESA-N	231.383	4.658	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@H]1CCC[C@H]1C	1944850913	YQBXZKNNOIBRCE-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@H]1CCC(C)(C)C1	1945601947	YQWTUZQYELZAGH-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCCCCC1(F)F	1947282308	LXICOYRWKBNAOZ-CHWSQXEVSA-N	247.373	4.513	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)C[C@@H](C)CC(C)(C)C	1947511210	VMWHEHDMOVZYPZ-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CCC(F)(F)CC[C@@]1(O)CCCC(C)(C)CC1	1947890334	LDCCHHDSNIZVNG-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)C[C@@H](C)CC(C)(C)C	1948322297	XQENXPXPOCEKMA-DZKIICNBSA-N	241.463	4.848	0	10	BJAE	
CCCN[C@@H](C1CC(C)(CC)C1)C(C)(C)CC	1948411315	OWJPEYPHORNSJF-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(NC[C@@H]2C=CCCC2)c(C)cc1Cl	1948820958	OPIKTFPRVFXNAP-CYBMUJFWSA-N	249.785	4.725	0	10	BJAE	
CCCCCC[C@](C)(N)CC(C)(C)CC(F)F	1949015334	RKQVWQRBPPPDDU-AWEZNQCLSA-N	249.389	4.746	0	10	BJAE	
CC(C)c1ccc(O[C@H]2CCC(C)(C)C2)cc1	1949502327	UIIBNQOGTMYCLJ-HNNXBMFYSA-N	232.367	4.768	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@H]1CC[C@@H](C)C1	1949530060	LVRPLDRSAJPIJL-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCN[C@H]1C[C@@H](CCC=C(C)C)CCC1(C)C	1949660060	GSCZYHIPHBXNQC-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCCCCc1nc2c([nH]1)[C@@H](C)CC[C@@H]2C	1949761122	BNSHLCJNPKSLIS-RYUDHWBXSA-N	234.387	4.533	0	10	BJAE	
N[C@@H](CC1=CCCCCCC1)CC1CCCC1	1949867752	CMIHWRBIWSWHIE-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)[C@@H]1CCCC(C)(C)CC1	1950918012	ICBMAXWDKHHKAU-XQLPTFJDSA-N	239.447	4.602	0	10	BJAE	
CC(=O)C1(CC[C@H](C)CCC=C(C)C)CC1	1951643705	MTTIPNOANJPQQV-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCN(CCCCCC1CC1)c1cccc(F)c1	1966161980	BUMUXUZQLWOXAG-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
Cc1cccc(OC[C@@H]2CCCC(C)(C)C2)c1C	1968363636	CUEYQQJEIVDNEU-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
CCN(CC1CCC(C)CC1)c1cccc(C)c1	1968548829	AXUWITDMQUDUPA-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
Cc1cc(NC[C@@H]2CCCC3(CC3)C2)ccc1F	1968592104	RULMFESSHSYHLY-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC1CCC2(CC1)CC2	1970868845	WPVFSGLUVAKRAY-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Clc1ccc(-c2ccnc3ccccc23)s1	1971253813	HNOBDHUDMSDUBB-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CCCC(C)(C)CN[C@@H](CC)c1cccc(C)c1	1973163993	MXMSNSZKVNXMAV-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)C(CC)(CC)CC	1978562640	HVVOLUPNUKEKNC-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](C)CCC=C(C)C	1988793584	AHSMMBAUMYZKHJ-KBPBESRZSA-N	225.420	4.536	0	10	BJAE	
CCCCC[C@](O)(CC)CCC[C@H]1C[C@H]1C	1990092424	ZJQIHRRMCIJSOQ-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)c1nc(C2CCCC2)cs1	1995496671	PACMAJLYTHOBJB-UHFFFAOYSA-N	237.412	4.878	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)C1(C)CCCCC1	1995990288	GDWRKGUAOOOIBF-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@H]1CC[C@H](C)C1	1996259951	LIANBEOOFYGRLI-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@](O)(CC)C1CCC(C)(C)CC1	1996547001	MLQJRCLWNQFROU-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@]1(C)CC=CCC1	1997545343	BSBCZSMYQJWLTG-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2(C)CC(C)(C)C2)C1	2000107106	RUSCUBQWIRSPQT-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(CO)CCCCCC2)C1	2000657599	YFNPJIHDKSSNTA-HUUCEWRRSA-N	238.415	4.536	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@@H]1CC12CCCCC2	2001211840	VDYGDAHLBSQMDX-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CNCC)C1CC(CC)C1	2002347284	AWYFDTGCTWCMCQ-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@]1(CC=C(C)C)CCCC(C)(C)C1	2002972319	SEYWDRYNGOOVGR-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)C2CCCCCC2)C1	2003012846	CNAKESSDODUCTL-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C1(C)CCC(C)(C)CC1	2007683990	XKXPEVIPBYEIPJ-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H]1NCC[C@H]1CC1CCCCCC1	2009771871	SDDDZHKZSXFMKW-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCN[C@H]1C(C)(C)C	2014544778	ZLTAVEBSRKMTER-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)[C@@H](C)CC(C)(C)C	2015291579	TYXWSFPQNXODCB-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H]1CC12CCC2	2015508482	HKJPZYQKGWBRIX-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(CC(=O)CCC2CC2)CC1	2017773112	VVVOALLGEFZUDM-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CC[C@](C)(NCC2CCCCCCC2)C1	2017879729	XQCZRTJJSIIMPW-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@](O)(CC)C1CCC(CC)CC1	2018131560	PAQAALULGFWQRT-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
CCCC1(C[C@@H](CCCC2CC2)NCC)CC1	2018982997	RXXXZBRCNCMIEO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCN([C@@H]1C=CCCCCC1)[C@H](C)CC	2019118281	TWPWVJDHNLUOBR-HZPDHXFCSA-N	237.431	4.776	0	10	BJAE	
CC1(C)CCC[C@@H](CCCCCC2CC2)[C@H]1N	2020361352	OUFHVASVYAFLHS-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@@]1(C(F)(F)F)C[C@H]1CC1CC(=C2CCC2)C1	2021958232	REEKWMLHGROZII-CHWSQXEVSA-N	244.300	4.856	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1C[C@H]1C1CCC1	2022325585	OSMATCOMOZFFEC-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)C[C@H]1CCCC(C)(C)C1	2024090779	BKGSMAUYYJBUBL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H](C)C1CCC1	2026075176	SVBQQWCGPUBXQL-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC1(C[C@@H]2CC[C@@H]3CCCC[C@@H]3N2)CCCCC1	2027310132	XVDHUHBQGOBVHJ-JYJNAYRXSA-N	249.442	4.658	0	10	BJAE	
CCCc1cccc([C@@H](O)[C@@H](CCC)C(C)C)c1	2028242000	WYTCCMZPQCAJRT-DLBZAZTESA-N	248.410	4.745	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](CCC)C(C)C)cc1	2028256138	WCPRNTLPZYVQDB-INIZCTEOSA-N	246.394	4.894	0	10	BJAE	
Cc1ccc([C@H](O)CCCCCC2CC2)cc1C	2028619490	SGYLWRLBMWVUHB-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C[C@@H]1C[C@H]2CC[C@H]1C2	2028631967	UQVAVGBBCVEQEU-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
C1=C[C@H](CCc2ccnc3ccccc23)CCC1	2035557692	VINURXOUVVTDOP-AWEZNQCLSA-N	237.346	4.524	0	10	BJAE	
CCC[C@H](NC1C[C@H]2CCCCC[C@@H]2C1)C1CC1	2035860145	MBOPZSLXFSZERK-INMHGKMJSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCC1(N)CC(C2CCCCC2)C1	2037170281	HRTWNYNVOMMIRC-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cccc2ccccc12	2038354158	KUNJXMGNRFVBBR-OAHLLOKOSA-N	239.362	4.830	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)C1CC2(C1)CC(C)(C)C2	2039420951	IUESUPCTMPJPSG-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(CC(CNC3(C)CCCCC3)C2)C1	2040953232	GNLVROPMDUHUGF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H]1C[C@H](C)CC[C@@H]1C	2043194920	QAQDDHNIKBSLSS-WBTNSWJXSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCC=CCCC2)C(=O)C1	2045308480	AQHWKOIDMNASRE-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CC1(C)C[C@@H]1CCCNC[C@H]1CCC=CCCC1	2045322686	GTGDOSIBFWUZFV-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC(C)C1CC([C@H](N)C[C@@H]2CCC=CCCC2)C1	2045330245	UUUBWAMARIEBLW-RDHHWEPZSA-N	249.442	4.523	0	10	BJAE	
CCCCCCC(=O)[C@H](c1ccccc1)C(C)C	2045673891	OTAZLUIVIRBALS-KRWDZBQOSA-N	246.394	4.966	0	10	BJAE	
CCN(CCC[C@@H]1CC1(C)C)c1cccc(C)c1	2046570688	KRDRRZFRIUQDJW-OAHLLOKOSA-N	245.410	4.648	0	10	BJAE	
CCC[C@](N)(C[C@H]1CC12CCCC2)C1CCCC1	2047060097	VBUJJXSWHGWYSJ-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047424410	KUVNOGHAZKEHCN-HRCADAONSA-N	246.394	4.684	0	10	BJAE	
C1CCC[C@@H]2[C@@H](CC1)C[C@@H]2NCCC1CCCC1	2047437794	OLGGYRGUPHWTAE-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CN[C@@H]1CCCCCC[C@@H]1C[C@H]1C=CCCCC1	2049682022	RIJCUJHLTSOXFP-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC2(CC2)C1)C1CCCC1	2049853520	FBRGJJYWHLAPJA-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CC[C@H]1CCCC2(CC2)C1)CC1CCCC1	2049857891	QHOUIWRCCHSIKK-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
N[C@H](C[C@H]1CCC2(CC2)C1)C1CCCCCCC1	2049867877	YATFBPTXORZKGU-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)[C@@]1(C)C=CCCC1	2050005369	FTEBFQJFSCBNND-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1cc(C)ccc1F	2051400861	KMSIAJRLFMNROS-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCCC3(CCC3)CC2)C1	2051605131	VHFHGUOSEKPLKQ-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1NC1CCC(C(C)(C)C)CC1	2055564580	KYQWWLQUFWAVPS-LMPOIIKSSA-N	249.442	4.536	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H]2CCCC=C2C)CC1	2055670508	WYWMPWHNALAYTN-ZGRYLRDCSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC[C@@H](CNc2ccc(CF)cc2)C1	2055678292	ODEWASKYGOLDCO-CQSZACIVSA-N	249.373	4.784	0	10	BJAE	
CCC[C@H](C)C1(CNC2CC2)CCC2(CC2)CC1	2056524794	ZUGULLJLSJJPEC-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(C[C@H]2C[C@@H](C)c3ccccc3N2)C1	2056642653	LFEVSOKWOFJEQW-XSCHDIRWSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CCC1(C)CC1)CNC1CC1	2059181949	XTBXSQRZJREFDD-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCCNc1cccc(O[C@@H](C)CC)c1	2059225369	MCTSVMBKWYHKHA-YVZNUBBCSA-N	247.382	4.632	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1C[C@H]1C1CC1)NCCC	2059268096	VMQOFVFHOQCYTR-IXVCQNTISA-N	249.442	4.537	0	10	BJAE	
CCc1cc(SC)c(Cl)cc1C(F)F	2060053642	FITKHCSFJGREPL-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CCC[C@](N)(C1=CC[C@H](CC)CC1)C1CCCC1	2061112550	HBRQSNBLNHQKRC-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CC[C@]12CCC[C@H]1C2)C1(C)CCCCC1	2061571605	LMSGXOJGJGYQOM-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC2CC(=C3CCC3)C2)C1	2061702890	XFPWUNSSCJJYQT-IUODEOHRSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@@H](CC(C)C)CC1CC(=C2CCC2)C1	2061725826	JFOVYHFZUYBVLV-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
N[C@H]1CCCCCC[C@H]1CC12CCC(CC1)CC2	2065331947	AHKPQCHVJQGVEV-YZUHTNEWSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@H]1CCC1(C)C	2068255963	WOKDFVPIVCUSDG-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CC23CCC3)CCCCCCC1	2069201233	FEMCJTJKVXUBLF-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@@H]2CCCC3(CC3)C2)CC1	2069521429	KYFPAQJCGNWESY-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2CC[C@H]3C[C@@H]32)cc1	2071223774	IMLHDYXOFZAIQH-QEWYBTABSA-N	244.378	4.625	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]3CCC[C@@H]32)CC1	2072872118	XSPZMXFOMFNNMF-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(N[C@H]2C[C@H]2C2CCC2)CCCC1	2079424866	QINLVPAELYFSHV-IRXDYDNUSA-N	249.442	4.658	0	10	BJAE	
NC1(C[C@@H]2C[C@@H]2C2CCC2)CCCCCCCC1	2079444844	DBXAOLZUOFRTJZ-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2C[C@H]2C2CCCC2)CCCC1	2079732389	KRBAQTSPCJHRHT-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)C1CC2(CCCCC2)C1	2079841466	IZRBRSFMDOLYPW-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)c1c(C)cc(C)cc1C	2079863529	KJMXGVLVDMBTRT-CABCVRRESA-N	244.378	4.621	0	10	BJAE	
CCCNCC1(CC=C2CCC2)CCC(C)CC1	2081676150	ICOVVIZPKHVCCM-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)CNC[C@]1(CC=C2CCC2)CC[C@@H](C)C1	2081681715	DQBFBHCTFAJMSO-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1C=CCCCC1	2081774519	IXWGKGXYHXAWFL-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1cccc(C(C)(C)C)c1	2083548586	CQUNBEVPRDNMTN-HZPDHXFCSA-N	247.426	4.666	0	10	BJAE	
CCCCC[C@@](O)(CC)c1scc(C)c1C	2210561431	VKQXZPDPWJZAQR-AWEZNQCLSA-N	240.412	4.543	0	10	BJAE	
C[C@H](CN(C)CCCCC1CC1)CC(C)(C)C	2213530215	FIDAOHBSOVXADD-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
O=C(CCCCCCCC1CC1)c1ccco1	2213578197	JNQDCPMUIFZDAP-UHFFFAOYSA-N	234.339	4.603	0	10	BJAE	
CCCC(C)(C)[C@H](CC[C@@H]1C[C@H]1CC)NCC	2215252976	NYIIEHFZRJRKDG-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](CCCCCCCC2CC2)[C@H]1O	2216876479	XVUZEGQMMOJBOR-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CC1(CN[C@H](C)CC)CCCCC1	2217140398	QEKAGARXBMAONH-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218334816	SWMQRXQHQZRRPE-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218361780	QKLFDLQRESUBTR-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1	2218362150	UIRWUMZLBZAAMD-ZSHCYNCHSA-N	243.394	4.623	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CCC12CCCC2	2218723082	AXAXFTNZSSCDKP-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CC[C@H]2CCC[C@@H]21	2218724900	HRDMLWUZDUWYTN-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](C)c1nc2cc3ccccc3cc2[nH]1	2220278194	YTRFJDCINIZODP-NSHDSACASA-N	238.334	4.620	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)[C@@H]1CCCCC12CCC2	2220879284	PJMSNVJAILXOEX-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CC2(C)CC(C)(C)C2)c(C)c1	2221091464	XHFIZTBPJSEMCO-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC1=CC[C@@](C)(CNCC2CCC(C)CC2)CC1	2221641953	ABENBLHBXSCTGT-BDVYOWHSSA-N	249.442	4.539	0	10	BJAE	
C1CC[C@H](CC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)NC1	2222918800	NXCFTZFUKDTKJD-LUKYLMHMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](O)(CC)CC[C@@H]1CCC[C@H](C)C1	2242790279	IRKGJVSIVCCHLE-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCC(O)(CC)CCC[C@H]1CCC[C@@H](C)C1	2242812901	NRXNILUJRSSUSB-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@](CC)(CNC)CC1=CCCCC1	2247489725	IPSYYYQHZPCYGD-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1CCCC12CC2)NCC	2247606505	PDEXPECOSRUUSA-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(NCc2csc(C3CC3)c2)cc1	2248071765	YTLNTQYLSMWXOJ-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CCC(C)(C)CCNCCCCC[C@H]1C[C@@H]1C	2248868430	BEOUULRZGVATLT-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H](CC)CCC	2250361256	LBKGQLTUQJQGOZ-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@@H]1[C@H](N)C(C)(C)CCC1(C)C	2251721020	QDJPZUJNFOQROG-KGLIPLIRSA-N	237.431	4.523	0	10	BJAE	
CC(C)[C@H](C)N(C)[C@@H]1CC(C)(C)CCC1(C)C	2251723086	XIPDWLXCRODMCT-UONOGXRCSA-N	239.447	4.568	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(CC)c1ccc(F)cc1	2253416677	PVFJQWSEOXLMJP-CZUORRHYSA-N	249.373	4.621	0	10	BJAE	
Cc1cc(C)cc(N(C)CCCC[C@@H]2C[C@H]2C)c1	2254586398	OQSDBSIDLAFRJB-HZPDHXFCSA-N	245.410	4.566	0	10	BJAE	
CCCC[C@@H](C)Oc1cc(C=O)cc(C(C)C)c1	2254722502	MESJOTOGYNLQOV-CYBMUJFWSA-N	248.366	4.580	0	10	BJAE	
N[C@@H](CC1=CCCCC1)C[C@H]1CCCCC12CC2	2255065478	VZDGDIHZTATXTQ-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1CC[C@H]1CCCC12CC2	2255268192	RIEDGLSUUOXJCH-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(C(=O)CC[C@@H]2C[C@H]2CC)cc1	2256239847	UOKQNZLQDIXAQC-GDBMZVCRSA-N	244.378	4.648	0	10	BJAE	
Cc1cc(NCCCCC[C@@H]2C[C@H]2C)ccc1F	2257324041	NSGVIIURKAMDOO-TZMCWYRMSA-N	249.373	4.762	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN[C@H]1C=CCCC1(C)C	2257359616	AVCQQGBLQFFRIY-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(N[C@H]2CCCC23CCC3)cc(C)c1C	2258239932	RHCBBBGVHLCVQY-INIZCTEOSA-N	243.394	4.747	0	10	BJAE	
C[C@@H](CNc1cc(C2CC2)ccc1F)C1CCC1	2259118511	NZLPJMIUCQDJTO-NSHDSACASA-N	247.357	4.551	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccc(C2(C)CC2)cc1	2259436469	GUOZPNQQKYVTMA-XJKSGUPXSA-N	245.410	4.564	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC[C@]12CCCC[C@@H]1CC2	2260635835	XYJANWLSJAJUDD-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@H]2CCNc3ccc(F)cc32)CC1	2261338863	MMOONLYZHKJWIX-ORHYLEIMSA-N	247.357	4.551	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1(C(C)(C)C)CCC1	2300682059	VKHOPEXSGPIWTO-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@@]1(C)C[C@H]1C	2300687695	FQFZDURUTFALMD-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)CC=C(C)CCCC(C)C	2300877384	PWNWOVCEYQKIEY-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
CC(=CCN(C)C1(C)CCC1)CCCC(C)C	2300885112	BYODVXWOQMOCBI-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
N[C@@H]1CCCCCC[C@H]1CC1CCCCCC1	2301140200	MXZCSJREIVKJTH-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C(=O)CC2CCCCCC2)CCC1	2301244513	MZCGDEKLBVTFBQ-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)CCC1CCCCC1	2301701330	OESBQKIZBWKSMP-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@@H](C)[C@H](C)C(C)C	2301837987	CVFZMRNZKAWGHE-PMPSAXMXSA-N	241.463	4.721	0	10	BJAE	
CC1(C)CCC[C@H]1c1nc(CC2CCC2)cs1	2302253571	CGPUMEDCBJFPEA-ZDUSSCGKSA-N	249.423	4.779	0	10	BJAE	
CC(F)(F)CCCCC(=O)CCCCC1CC1	2302579954	OKRYEDFSFANDCN-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCCC[C@@](C)(CNC)C[C@H]1CCC(C)(C)C1	2302720090	KLAZZGCJWDAFBK-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1CC[C@@H]1C(C)(C)C	2303474925	IOCZTVQGBPLPAB-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC[C@@H]1C[C@H]1CC)NCC	2303610476	FMYDUVBDNUMSGM-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC[C@H]2CCC(C)(C)C2)C1	2304435415	OGDQVNJJNYQKBM-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H](C)c1ccccc1	2307747545	QEVGKSVWVLGBDK-CABCVRRESA-N	233.399	4.506	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CCCCC1(C)C	2307892400	HSMWKRMGPODGDC-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1(C(C)(C)C)CCC1	2307898684	LZYKUYOEWPVUQB-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)C1(C)CCC1	2307900890	WHPSJLNTLXWJQD-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1cc(C)ccc1C	2307909201	SLBIBXZIUXEPHH-HOCLYGCPSA-N	233.399	4.520	0	10	BJAE	
CCCC1(CN[C@H]2C[C@@H]3CCCC[C@]3(C)C2)CC1	2308401429	WHICOBBMFQRQAS-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H]2C[C@H]2C2CCC2)C1	2311478757	YHWJPQFNYPXALP-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2312523413	GFPDASWPJIVLHM-QSJFSLAZSA-N	246.394	4.518	0	10	BJAE	
CCc1cccc(CC)c1N[C@H](C)CC1CCC1	2313598181	FDHBAEYGMDBIGO-CYBMUJFWSA-N	245.410	4.802	0	10	BJAE	
CC(=CCN1CC[C@H]2CCC[C@@H]21)CCCC(C)C	2316513053	MPJVUIYXJZAJBX-SJORKVTESA-N	249.442	4.633	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2316539036	ZQCOJYSBXWJQLL-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@@H](NCC)c1cccc(C(C)(C)C)c1	2316541459	GLNJLIFSKOUXJC-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CN[C@H](CC=C(C)CCCC(C)C)[C@@]12CC[C@@H]1C2	2316549570	JWCRRXBAFDBIBB-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC(=CC=C(C)CCCC(C)C)CN1	2316566184	VFMFDPMIERYLAX-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CCC[C@@]1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCCN1	2316875604	XCXLQISXMVVHTH-NXOAAHMSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1ccc(F)cc1C1CC1	2317104534	XSCWCMPVLFULOO-WDEREUQCSA-N	248.341	4.568	0	10	BJAE	
NC1(CC[C@H]2C[C@H]2C2CCCCCC2)CCCC1	2318858822	XBGXPZIJGWKHMY-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@H]2CCC(C)(C)C2)c1	2319290376	FYVVOSXQZWAZBO-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(N)CCCC(C)=C2C)CC1	2320328143	OSPCFOBRKKSKNR-IRXDYDNUSA-N	247.426	4.731	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)C[C@H]2CCC(C)=C(C)C2)C1	2320335890	XRYPDFMXFLUHGR-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CCC1(C[C@@H](NC)c2cccc(C(C)C)c2)CC1	2320515833	HGNPRUAZBLZCJY-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@H]2C[C@H]2C(C)C)c1	2320570234	JNBUVNHZJGLRHT-CVEARBPZSA-N	244.378	4.675	0	10	BJAE	
CC(C)CC12CC([C@](C)(N)C3CCCCC3)(C1)C2	2321587394	NXWBRBDIXJHMFU-KLAILNCOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@]23CCC[C@@H]2C3)C1	2321628337	QTEUBTNGAWYBLC-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
Cc1cc(/C=C/c2ccc(Cl)cc2)cs1	480883	WUZOVABBDMRKKQ-NSCUHMNNSA-N	234.751	4.880	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccccc1OCC	20519931	OWFLWIWXOSQSEM-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
CC[C@H](C)Nc1ccc(SC(F)(F)F)cc1	37067899	QLYQYIZEMVDMCQ-QMMMGPOBSA-N	249.301	4.509	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C)c1cccc(Cl)c1	37219241	AASDUKFPTJGBAI-VXGBXAGGSA-N	239.790	4.569	0	10	BJAE	
CN[C@@H](C)c1sc2ccc(C(C)C)cc2c1C	40996351	LMTBPKIFKUCVGT-NSHDSACASA-N	247.407	4.614	0	10	BJAE	
CCCCC1CCC([C@H]2CCCC(=O)C2)CC1	55168496	IOFFBBPUURIZFD-NRXISQOPSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](Nc1ccc(F)c(C)c1)c1cccs1	61117757	NAKPEAZQHMVNFN-CYBMUJFWSA-N	249.354	4.759	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@@H](C)c1ccsc1	61360578	NMWROELBTIIQKA-MBNYWOFBSA-N	239.428	4.614	0	10	BJAE	
CC(C)[C@H](C)CNc1ccc2ccccc2c1	81069957	KNEXGVOICVKKKE-CYBMUJFWSA-N	227.351	4.544	0	10	BJAE	
Cc1cc(NCc2ccccc2)ccc1C(C)C	83367365	CUJSVOIBAIOYCV-UHFFFAOYSA-N	239.362	4.731	0	10	BJAE	
Cc1ccccc1COc1cc(Cl)ccc1C	88765186	BFQSKDRJOFURJL-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC1(C)C)c1ccc(C)cc1	94305761	JIKZDYPLRLZQBY-HZPDHXFCSA-N	245.410	4.614	0	10	BJAE	
CCC[C@@H](NCC)C(CC)(CC)c1ccccc1	109748129	UQPUTOTXKYNYLW-MRXNPFEDSA-N	247.426	4.523	0	10	BJAE	
CCCC[C@@H](NC[C@H](C)CC)c1ccccc1	109955030	OQCFGQPWLKJSKH-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CC[C@@H](NCC1CCC(C)CC1)c1ccccc1	109963155	ZQKWEMPVFPEJDS-VMBOVVBDSA-N	245.410	4.554	0	10	BJAE	
CC1CCC([C@@H](O)C[C@@H](C)CC(C)(C)C)CC1	124318918	GXQMPSDJZRIYMD-JYVUQVBGSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1ccc(C2CCC2)cc1	128699438	VIFGUGJVOUCDST-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CCC[C@H](C)COc1cc(C(C)C)ccc1C	130403596	VYJUMGIVFIYPLI-ZDUSSCGKSA-N	234.383	4.933	0	10	BJAE	
CC(C)c1csc(C2CCC(C)(C)CC2)n1	131936465	JGYVTUJURFWFNL-UHFFFAOYSA-N	237.412	4.950	0	10	BJAE	
O[C@@H](CC1CCCC1)c1cccc(C2CCC2)c1	160197129	LUUYZZJVSBDDOG-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CC1CCCCCC1)NC	162094981	JDVPXGZEUSEFFU-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC(C(=O)CCC2CCCC2)C[C@H](C)C1	166025801	XGPIVQHGNNXGNX-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
Clc1ccnc(-c2cccc3ccsc23)c1	227693990	AVMPMTDHKBWUOX-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CCCc1ccc([C@@H](O)C2(C)CCCCC2)cc1	233401485	CZJIKSNNOYIMJC-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CC[C@@H](C)c1csc(-c2cc(C)ccc2F)n1	233871894	HMJKULQFCJSDBW-SNVBAGLBSA-N	249.354	4.771	0	10	BJAE	
CCCC[C@@H](CC)NC(CCC)CCC	238208017	IYHRIPAOKPATJP-CYBMUJFWSA-N	213.409	4.514	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H]1CCCC[C@H]1CC	250403237	JHBNTESBHLVVCH-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C)[C@H](CCC1CCCCC1)C(C)C	302283417	VKACSZQNWUIANL-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](O)CCC1CCCC1	302296949	YROLLYGUQOEOGL-DLBZAZTESA-N	246.394	4.512	0	10	BJAE	
CCCNC[C@@H](CCC1CCCC1)C(C)(C)C	306018014	XVQCKTDXLQPWOG-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC[C@H]2C)cc1C	306056875	VQCXMUWUELBZDW-WBMJQRKESA-N	231.383	4.548	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCC(C)(C)C(C)(C)C	310243277	IYKOBDGVKXBMGR-ZDUSSCGKSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(C)c2nc(C(C)(C)C(C)(C)C)[nH]c2c1	310893369	VAHXOYHULPYQNA-UHFFFAOYSA-N	244.382	4.503	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H]1CCCC1(C)C	311121017	XNYXTUFPXNZUAF-CVEARBPZSA-N	246.394	4.670	0	10	BJAE	
CCC[C@@H](NCC)[C@H]1CCCC12CCCCC2	313009335	JBSDIOZBYNSHRF-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](N[C@@H](CC)CC1CC1)C1CCCC1	313445415	QCEGDMCPCGUBEY-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C/C=C\c1ccccc1)CNC(C)(C)C	318174965	CLQSLNCUSAPTNV-XFXZXTDPSA-N	245.410	4.504	0	10	BJAE	
CCCNC[C@]1(CCC2CCCC2)CC=CCC1	318859595	BQLLGWYJVPCBAU-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H](C)[C@@H](C)CC	320012605	VNOPNNMEXZWPEA-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC2CCC1CC2	382186052	YIGQLHAERMPLFL-SSHXOBKSSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCC(C)(C)CNC(C)C	383310817	VRSMESNNZCSJOH-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCCNCC/C=C(/C)C[C@@H]1CCC[C@@H](C)C1	383518650	MYQSXQHZYWMIPS-HHFCYPSPSA-N	237.431	4.539	0	10	BJAE	
CCC1(C[C@H](NC)C2(C)CCCCC2)CCC1	383639876	ZKNQCENXRRCRSU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(N)CCCC[C@@H]1C(C)(C)C	383926791	RVWNCPJCCCASEW-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CCC1=CCCCC1	385876460	KETVBGAHFUEIBI-INIZCTEOSA-N	243.394	4.584	0	10	BJAE	
C1CCCC([C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1	386039285	SJGGWOSORQIAEW-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCCOc1cc(C)ccc1NCC[C@H](C)CC	394414411	SIUZUEMTARBRCA-CYBMUJFWSA-N	249.398	4.632	0	10	BJAE	
C[C@H](CCC1=CCCCC1)[C@H](O)c1ccccc1	395323867	NSPYBMQNVNEIEP-PBHICJAKSA-N	244.378	4.637	0	10	BJAE	
CC(C)[C@@]1(C)C[C@@H]1NC1CCC2(CCCC2)CC1	397188678	NLGBEJAJUQVXPD-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CC(C)Cc1cccc([C@H](N)[C@H](C)C(C)(C)C)c1	399036138	AJGIYGVPEDJHKW-XJKSGUPXSA-N	247.426	4.567	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNC(C)(C)C(C)(C)C	401967543	WDZIPTUGIGZOAI-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](NC1CCC2(CC1)CC2)c1cccs1	488412449	LMOVQESMWGIKLM-CYBMUJFWSA-N	249.423	4.512	0	10	BJAE	
CCC(C)(C)CCNCC1CCCCCCC1	686307239	WYOHBLCLYWGEAY-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC1([C@@H](O)CC2CCC(C)CC2)CCC1	686921581	HWQLNCOYMZICNQ-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)Nc1cccc(-c2ccccc2)c1	689639951	NEUZZTDHGQHKIL-CQSZACIVSA-N	239.362	4.810	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccc(C2CC2)cc1	690077579	COPAGEJPVJPUME-MLGOLLRUSA-N	229.367	4.555	0	10	BJAE	
C[C@@H](C[C@@H](N)C1CC2(CCC2)C1)C1CCCCC1	691880096	UCXSTQNSNPMYMV-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@H]1C1CC1	696112757	SWOLCLWXIXDYDA-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)C1CCCC1	696558610	DDLBYSTZIJHSHO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](NCCC(C)(C)CC)c1cccs1	696751411	NOOLCGJWPOKBRA-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
CCC(C)(C)CCC1(CN)CCCCCCC1	696783367	RCSSLWRQCOZEKS-UHFFFAOYSA-N	239.447	4.892	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H]2CC2(C)C)cc1	700632894	ANXDIPHEUIDZJG-GXTWGEPZSA-N	231.383	4.658	0	10	BJAE	
CCC(C)(C)[C@]1(O)CCC[C@@H](C(C)(C)C)CC1	700943449	MMOHULXVCPEZOD-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)C1CCCCC1	704863653	RTEWNBHRHTZQPB-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@@H]1CCCC[C@@H]1C	705006991	SWMLTJPSTDTWCG-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC(C)(C)C)[C@H](C)CCC	708299530	YSVIEJKQBNGAPE-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H](C)CC(C)(C)C	708318414	GRKBKOLDFXEGLX-SOUVJXGZSA-N	241.463	4.993	0	10	BJAE	
CCOc1cccc(NC[C@H](C)CC(C)(C)C)c1	709214444	NROOTTJISMDDTL-CYBMUJFWSA-N	249.398	4.570	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H]1CCCCC1(C)C	709761490	ZORMDMGMAZZWJU-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NC1CCC2(CC1)CC2	709990740	RPMPCSRJNUTRQA-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1CC(C)(C)CC	713268436	LBZBSJVJJAEOPC-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@@H](C)CC	718591346	XFYOUHPAXFUQLU-DZGCQCFKSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCc2ccccc2N1	718649157	UIVXYGCXCVRAPQ-HNNXBMFYSA-N	229.367	4.550	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](CCC)C(C)(C)C	1560838454	AQDFPKXJZXTFSW-ZIAGYGMSSA-N	227.436	4.760	0	10	BJAE	
C1=C(CCSc2ccccc2)CCCC1	1613257138	HZKGBEXIVXOJCC-UHFFFAOYSA-N	218.365	4.669	0	10	BJAE	
CCC(CC)CCC1(O)CCC(CC)CC1	1900704537	WNOBHLPOKZCHNY-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CC1CCCCCC1	1901102079	KHGQNSIUCSFQND-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)Nc1cc(F)ccc1C(C)C	1901665749	KPZSTYQVFLUMHS-NSHDSACASA-N	223.335	4.550	0	10	BJAE	
CCc1cscc1N[C@@H]1C=CCCCCC1	1902380992	IOVAHQRFXBIHET-CYBMUJFWSA-N	235.396	4.611	0	10	BJAE	
CCc1cscc1N[C@H](CC)C[C@H](C)CC	1902390747	NFLFVEWGURYHNO-DGCLKSJQSA-N	239.428	4.937	0	10	BJAE	
NCC1(CCC2CCCCC2)CC2(CCCC2)C1	1912584060	AGQYBQPAOSBOLC-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
Cc1cccc(NC2CC3(CCCCC3)C2)c1C	1912708746	LVOJTZDWDIBUID-UHFFFAOYSA-N	243.394	4.828	0	10	BJAE	
C[C@H](C[C@H]1CCCCCCCC[C@@H]1O)C1CC1	1913386618	OGPSOAKWXBYFRG-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCC=CCNc1ccccc1C(C)C	1914678467	VJSNRDPLOFYKPO-UHFFFAOYSA-N	217.356	4.578	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc1	1917328506	GOCIUEJIDWSGNY-NZUILWFCSA-N	243.394	4.801	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@H]1CCCC12CCC2	1921586589	OTVGPPPMIZRLJS-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H]1C=CCCCC1	1925899946	ARGUUWSILAUHGG-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)C[C@H](N)CC(C)(C)c1ccccc1	1926376767	UNBRRXUEYOFAIJ-INIZCTEOSA-N	247.426	4.508	0	10	BJAE	
CC(C)=C(C)CCc1csc(Cl)c1	1933564695	AHHHHVHDUIXWOL-UHFFFAOYSA-N	214.761	4.690	0	10	BJAE	
CCCC[C@@](N)(CC)CCC[C@@H]1CC1(C)C	1935925975	XCDLKLBJLKCPHW-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CCCC1(C)CC1	1940872790	AKVYRJGHORGBHO-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCC1([C@H](CCCC2(C)CC2)NC)CCCC1	1940875166	HMRMWHOQTSOADH-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](C)c2cccc(N)c2)C1	1940976676	OLKPFSPTAVECGJ-MCIONIFRSA-N	231.383	4.589	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](N)CC1CCCCC1	1941267909	YMCFKLZATBCNHH-HOTGVXAUSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H](CC(C)C)C(C)C	1941267995	ZJSQVXMPIGAADH-JKSUJKDBSA-N	239.447	4.639	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@H]1CCC[C@@H]1C	1944836335	JXTHERSMDCVBSO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1cccc2sccc12	1945969569	GOCPJCORLGVZKK-XHDPSFHLSA-N	248.391	4.617	0	10	BJAE	
CC(C)CCCCCCNC1CC2(CCC2)C1	1946635834	RSQUHNAVGKJVOX-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CN)CC12CCCC2	1948073003	JAMVNLKHVZIKLC-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)NCC(C(C)C)C(C)C	1948332653	NFPQDWCNASMYAE-CABCVRRESA-N	241.463	4.575	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C)[C@H](C)CC(C)C	1948333476	SBFNWPZYLXJABP-OAGGEKHMSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C[C@H]1CCCC[C@@H]1CC)NCC	1948426862	XWWDAJODVWHHCU-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948587885	UYINASQFBQYVMP-XHSDSOJGSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CCCC[C@H]1CC1(C)C)CC(C)C	1948850014	UKKPXEYEBKCZMP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](C2(O)CCCCCCCCC2)C1	1949451682	ITIZPIPTSUMPNP-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCCC23CCC3)C1	1967790058	BCDFCHJJWZPPDC-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CCC3CC2C3)cc1	1968275043	CFVPREUBBBHDLP-SEEARECTSA-N	243.394	4.585	0	10	BJAE	
CC(C)(C)c1ccc(NC2CC3(CCC3)C2)cc1	1968275149	FUEFFWMMUYOUNS-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
CCC1(CNC2CC(CC)(CC)C2)CCCC1	1971014710	MVZGKZUAFWBRQF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@](C)(O)C1(C)CCCCC1	1975571749	VIAFYMSOUAZXCX-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC1(C)CCC[C@@H](Oc2ccccc2Cl)C1	1978373804	FMQGVKMYORPPMA-LLVKDONJSA-N	238.758	4.688	0	10	BJAE	
CCCC1(C(=O)CCC(C)=C(C)C)CCC1	1978424210	BHFNHFSYYXEUFG-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCC(CC)(CC)C(=O)CC[C@@H]1CC1(C)C	1978450916	ZGZNIDRXXHRSOW-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(=O)[C@H]1CC	1984361875	MLECDUBABXEUSQ-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@H](C)NC1CC(CCC)C1	1984692352	MYOHXURHCLQVHA-NFOMZHRRSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)C1(C)CCC1	1990097405	GRWRVRUEFFTDOX-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@@H](CC)NCc1sccc1C	1990097664	IQYQAEAYLIMEER-CYBMUJFWSA-N	239.428	4.505	0	10	BJAE	
CC(C)(C)CC(=O)C[C@H]1CCCC(C)(C)C1	1994026358	PJGNCZSQBFCEKW-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@](N)(CC1(C)CCCC1)C1CCCCC1	1996592150	AMAUBLJQHIBNGK-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CCC1CCC1)NC	1998029015	AOWALGPKVBXTML-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C)[C@H]1CCCCC12CCCCC2	2001578086	JHOLNIXYGSZDNP-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCCCC(F)(F)C1	2003199094	HGMNTYMQXVLMKC-CHWSQXEVSA-N	247.373	4.513	0	10	BJAE	
CCCCC[C@H](C[C@H]1CCC2(CC2)C1)NCC	2003211138	KYYTVVOHQICKQA-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@@H]1CCCC2(CC2)C1	2003220900	LCVBWQWFAFXPEC-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCC[C@@H](N)c1cccc(C)c1	2003646927	RXYJLFUSULBYTH-MRXNPFEDSA-N	231.383	4.521	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC[C@@H]1CC1(C)C	2004232088	SDQLSRBIMNQVJD-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1	2007681315	JCJBCGYQDYQUOO-MYMJJRTCSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C)([C@@H](N)CCCC(C)(C)C)CC1	2007686490	AMFKRYKZOSMMOE-BBBYJDLNSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)c1cccs1	2007938081	UJCWLQZPDDXULM-CQSZACIVSA-N	249.423	4.679	0	10	BJAE	
CCCC[C@@H](NCCC)C1(C2CC2)CCCC1	2008483729	RZNRGPSMIWKMHK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H](C)C(C)(F)F)cc1	2009079600	XIGPNRJQLCJSEZ-QWRGUYRKSA-N	241.325	4.656	0	10	BJAE	
CC=CCCC[C@@]1(N)CCC[C@@H](C(C)C)CC1	2009569454	PAZCLWQVUMNWGC-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010705072	CXWVHZWHQPWUAC-ZIAGYGMSSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@H](O)[C@H](C)CC(C)(C)C)CC1	2010716448	NLNRGJWPXRLIJI-UMVBOHGHSA-N	238.415	4.556	0	10	BJAE	
CCCCCC1CC(N)(CCC[C@H]2C[C@H]2C)C1	2011581509	VYKJKMXJJJGWSV-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](NCCC)C(F)(F)C(C)C	2012976797	HGBCOSHRFANIDQ-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CSc1ccccc1N[C@@H](C)[C@@H]1CCC1(C)C	2014903977	RFINJMGVDGWYIX-RYUDHWBXSA-N	249.423	4.645	0	10	BJAE	
CC(C)C(CCC1(N)CCCCCC1)C(C)C	2015347215	NXHGUYDDOLIZOL-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CC1(CC)CCC1	2015599900	TUYRSWJBCNHPPD-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@](C)(CNC)CC1(CCC)CCC1	2015642376	PTPARXLSHAQHTB-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1CC1(CCC)CCC1	2015646082	WOXYAABOERPDNU-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)NCC1(CCC)CCC1	2018131147	MVKJACCWOCHSHA-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCC1(C[C@]2(O)CCCCC[C@@H]2C(C)C)CC1	2018975055	RECOVLUTVFVNRM-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCCN(CCCCCC(C)C)C1	2019340363	MWYCEHFVYSRRHG-INIZCTEOSA-N	239.447	4.715	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H](CC)CC(C)C	2020967474	SFYWNXSFOUJOAK-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC=C(CC)[C@@H](C[C@H](C)CC(C)(C)C)NCC	2020969246	NQRTYVGDGWRCDE-DZGCQCFKSA-N	239.447	4.783	0	10	BJAE	
O=C(C[C@H]1C[C@@H]1C1CCCCC1)c1cccs1	2022555144	VABBDPXKLQMSCK-CHWSQXEVSA-N	248.391	4.537	0	10	BJAE	
CCC(CC)C[C@]1(O)CCC[C@H]2CCCC[C@H]21	2022994278	PXKHHJYNFWFJLB-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@](C)(CCC)CC(F)=C1CCC1	2023204530	LBVXRKMFELHCAJ-OAHLLOKOSA-N	241.394	4.590	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCCCC(C)(F)F)C1	2023331275	JNXXMEHPPUTGKC-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
Cc1cn(C[C@@H]2CCCC(C)(C)C2)c(C)c1C	2024093093	YLFHDIUGOWGTHW-OAHLLOKOSA-N	233.399	4.630	0	10	BJAE	
CC1(C)C[C@H]1CCCNc1ccc(C2CC2)cc1	2027831068	FXVTZBQGHLMZQB-OAHLLOKOSA-N	243.394	4.802	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1ccc(C(C)(C)C)cc1	2028251025	CGVAVLNQXFNKLN-CVEARBPZSA-N	247.426	4.666	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](NC)c1ccccc1C(C)C	2028264346	OYIVHFMYUATFOV-RHSMWYFYSA-N	247.426	4.753	0	10	BJAE	
CCCC1([C@@H](O)c2ccccc2C2CC2)CCC1	2028562406	KLQJKZOJXXOMQU-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
Cc1ccc(C)c(C(=O)CCCCCC2CC2)c1	2028624974	FBGISQZVWCZSOL-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C1(C)CC(C)(C)C1	2029104622	KRAWFPJOOAHRKJ-OAHLLOKOSA-N	246.394	4.670	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)c1cc(C)cc(C)c1	2029965965	DWNGHUAKFFZRII-CJNGLKHVSA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	2032516173	XGRWCDJMHRGXLR-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@H]2CC[C@H]1C2	2035045600	BTZTWIUIRJOTMU-UKPHBRMFSA-N	243.394	4.630	0	10	BJAE	
CC(C)C1CCC(C(=O)C[C@@H]2C=CCCC2)CC1	2035558643	DPHCXVNYYFIWDV-QQFBHYJXSA-N	248.410	4.764	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)C(C)(C)C1CCC1	2035586873	CJLXPTLPHTYBCC-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CCC2=CCCCC2)C1	2037171880	OWCVGKYYOVRQBO-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1c2ccccc2NC[C@H]1C	2037227169	ULGXSPNGFCOESC-UKRRQHHQSA-N	245.410	4.904	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)[C@@H]1CCC2(CCCC2)C1	2037591149	ZUNUQAZDYYGOLL-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@@H]1CC12CCCCC2	2039013213	VVZPDGDHXHSKJL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)[C@H]2C=CCCC2)CC1	2039525771	UBOBYEPNQULCOA-SLTXQBBLSA-N	249.442	4.523	0	10	BJAE	
Cc1cccc(N[C@H](C)C2CCC(C)CC2)c1C	2040631993	AEAXCNSLFBTGOW-DSSZZKGTSA-N	245.410	4.930	0	10	BJAE	
CCCc1ccc(N[C@@H](C)C2CC(C)(C)C2)cc1	2043547324	PDHGUKFMKVWSIW-ZDUSSCGKSA-N	245.410	4.876	0	10	BJAE	
Cc1cccc(NC[C@@H]2CCC=CCCC2)c1C	2045329813	QVPUGTFJNQXEKR-MRXNPFEDSA-N	243.394	4.852	0	10	BJAE	
CC[C@@H]1CC[C@H](NC2CC3(CCCCCC3)C2)C1	2046309368	AKBXITUUTZBPEO-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCC1(C)CCN(C[C@H]2CCC=CCCC2)CC1	2046557811	FZPIBRXKGIRMQA-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC12CCCCC2)[C@@H]1CC1(C)C	2047059690	RVKBLHBKDJTWCS-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048363495	PYGWBNVVMMMZJA-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccc(O[C@H]2[C@H]3CCCC[C@H]32)cc1	2049203231	MVDOGVJDCRFQDV-MUJYYYPQSA-N	244.378	4.552	0	10	BJAE	
CCCCC(=O)CCc1ccc2ccccc2c1	2049344989	AIUICJPLHPGUPT-UHFFFAOYSA-N	240.346	4.532	0	10	BJAE	
CCC1CCC([C@@](C)(N)C2=CCCCCC2)CC1	2049419102	WTAKDZWXKCJHTF-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
C=CC=CCCN(C)[C@@H](C)[C@@H]1CCCC(C)(C)C1	2049508731	MXMOJTNWVAPTHP-JKSUJKDBSA-N	249.442	4.655	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2CCC[C@H](C)C2)cc1F	2049539511	HLNISBBBUMKUBO-IACUBPJLSA-N	249.373	4.761	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@@H]1C[C@H]1C=CCCC1	2049707150	GFPYHORBDVKPHJ-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@]1(CN)CC1CCC2(CC1)CC2	2049855696	OYGIIQFPFRGMKB-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
CCC1CCC(C[C@H](N)c2cccc(C)c2)CC1	2050463316	HLWHERZXMIOTEG-DQPZFDDXSA-N	245.410	4.601	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@H]2CCC[C@H](C)C2)cc1	2050465730	UZVBKWZALQTIKZ-GJZGRUSLSA-N	244.378	4.784	0	10	BJAE	
CN[C@H](C[C@H]1CC12CC2)C1(C)CCCCCCC1	2052479866	LKNRJOXKNZNWJF-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CCC[C@H]2C(C)C)c1C	2056447511	CHLOSMIDKODFMM-GOEBONIOSA-N	244.378	4.558	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2CC(C3CCC3)C2)C1	2056641225	XIYDFNWSTDRPMB-RKHAHWSXSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CCCCC12CC2	2059220642	CYLYJKKQXWFLHZ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1cc(C)ccc1F	2059225140	JZXOMQIGJWTGHD-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCC1([C@H](NC)C2=CC[C@H](C(C)(C)C)CC2)CC1	2061095435	MYCTVQBPWIPXAW-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@@H]1C1=CC[C@@H](C(C)(C)C)CC1	2061136661	BJKIUOFTHJLHFJ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@@H](N)C2=CC[C@@H](C(C)C)CC2)CCC1	2061147681	POIMHFPEMGUMCL-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C[C@]12CCC[C@H]1C2	2061618751	WNFAAZKEKRPQJP-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCCCC12CC2)C1CCC1	2062019861	KVQAFRIPPOOLHH-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H]1CC(=O)CC2(CCC2)C1	2063719199	CCVPTSHOOCVJOZ-IIAWOOMASA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)C[C@@H]1CCCC2(CC2)C1	2068270595	AFDUMVAGJWHUAB-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1C[C@@H]2CC[C@@H]2C1	2068744253	MLOKOJFUSFPBOA-QKDCVEJESA-N	243.394	4.658	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C1(CC(C)C)CC1	2069516006	VHMXVFZLRNCSCU-MRXNPFEDSA-N	249.442	4.703	0	10	BJAE	
CC(C)C1(C[C@H](N)C2(CC3CCC3)CC2)CCC1	2071954166	SQJKLUOLZNTQNW-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)c2ccc(C)cc2)CC1	2072700769	PQLISOGQEFMRQH-XIRDDKMYSA-N	246.394	4.635	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CN[C@]2(C)CCC(C)(C)C2)C1	2073047744	ZMGLDAJYWXKILK-YSVLISHTSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@]12CCCC[C@H]1C2)C1CCCCCCC1	2074092509	XWKDXHWAFRZOBX-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CCC1(C[C@H](N)c2cccc(C(C)(C)C)c2)CC1	2074642395	UKEMCLOGSKUQEA-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)c1cc(C)oc1C	2074643408	FDTWJBKHVWQSIC-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)c1cccc(C)c1C	2074644275	OUHJBVSXGXZGMT-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)C(CC=C1CCCNC12CCC2)C(C)C	2076646872	YRZHEEXYAWYREV-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@@H]1C[C@H]1C(C)(C)C)C(=O)c1ccccc1	2079845643	ZEYQHDMDOSHBEQ-BPLDGKMQSA-N	244.378	4.578	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@@H]1C[C@H]1C1CCCC1	2079852995	TWPUITWOOAAWJG-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
CC(C)CNC[C@]1(CC=C2CCC2)CCC1(C)C	2081676630	XJPWUGFGSMVPDF-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)[C@@H](CCCCCCC1CC1)NC	2213575870	KEJQDCVEWJHSHF-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](O)CCCCCCC1CC1	2213581411	WGANHJNIYBEESS-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCCCC2CC2)CC1	2214577220	BKWRRGLIGHECQO-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
Cc1sc([C@H](N)C=C2CCCCC2)c(C)c1C	2215535206	JQKDTTMYNPJBPZ-CQSZACIVSA-N	249.423	4.564	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)[C@]1(C)CC=C(C)CC1	2215811953	GNXPHEMZIZDCKQ-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CCC[C@H](C(C)(C)C)C1	2216254920	AQVNNSGUUZGUPV-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@]1(CN[C@H](C)CC)CCCC[C@H]1C	2217130851	UUTIGDORFNHTQW-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)CC[C@H]1C1CCC1	2218720545	JWWGTYXWWGAPCO-IRXDYDNUSA-N	249.442	4.645	0	10	BJAE	
C(CCCC1CC1)CCNCC1CC2(CCC2)C1	2218731504	KQSTYVKQRDYAFE-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)C/C=C/c1ccccc1	2219096229	TXJLGLOHHIQHKJ-RZXPCSSPSA-N	245.410	4.504	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CCCCC2CC2)c(C)c1	2220028863	WSCFFGBVDLTBGX-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
CCCCC[C@@H](C)Oc1ccc(C(=O)CC)cc1	2220724877	VYPLAWJKAUULHW-CYBMUJFWSA-N	248.366	4.627	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@H]2C[C@@H]2C2CCCC2)C1	2221090678	OGMGYDJVJJABNN-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@]2(C)CC=C(C)CC2)C1	2221642921	KPOWMCLLYGEDHH-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NC2CC3(CCC3)C2)C1	2222261433	CAKSSFXVXBQROK-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)C1C[C@H]2C[C@@H]2C1	2223130166	JXKNVJTVNICONR-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](O)c1ccc(C2CCC2)cc1	2223681304	NTKLEYLETGMBDO-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
Fc1ccc(Cl)cc1CCC1=CCCCC1	2243235819	DNVOCVUIEQWAEM-UHFFFAOYSA-N	238.733	4.912	0	10	BJAE	
CCC[C@H](CC)CNC1CCCCCCC1	2244801666	MQXKINWOWFNDBJ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC=C[C@](C)(N)CC[C@@H](C)CCCC(C)C	2244848204	YURUQDHXUQOPRS-GJZGRUSLSA-N	225.420	4.523	0	10	BJAE	
CCCN[C@@H](CCC)C[C@H]1CCCCC12CC2	2246607812	VCJHDYZPAPAQOE-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCC1(N)CC2(CC(C)C2)C1	2246831407	OKXYUUNVZLGGON-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C(=O)C[C@H]1CCC1(C)C)C(C)C	2247379801	PLCMAZCCJQTFFG-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CCC12CCC2	2247426374	XGBPEZGFBFFDJA-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
C1=C[C@@H](Cc2nccc3sccc23)CCCC1	2248552971	UPFAHNRBDJCFPG-GFCCVEGCSA-N	243.375	4.585	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C1(C)CC=CC1	2248812475	AFVFWROAXVVORZ-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC1CCC(O)(CCCCC[C@H]2C[C@H]2C)CC1	2248874979	YMLFGHUHAVXPDY-FYRZTWFESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCCCCC[C@H]1C[C@@H]1C	2248875373	ZMNNRBJZHJEVPH-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@H](C)C1CCCCC1	2250361802	PZDMETSLLYLUHC-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CC[C@H](C)CCCC(C)C)C(C)(C)C	2250469123	LGYDCRYFUCSPFI-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC1=C[C@@H](NCC[C@H](C)CCCC(C)C)CC1	2250490345	IDZOSNLSDFSUBI-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@H](N)[C@@H]1C	2250513744	JOUCEVPFVDRCEI-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C)CN[C@H]1CC(C)(C)CCC1(C)C	2251678764	OCBUNPLHVQZFRC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CCC=CCCC2)C1=O	2251716080	CZAZFJOCRRKJRO-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1(C)CC(F)(F)C1	2252921241	ZTYHVRPNOFNGEJ-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
O=C(CCC[C@H]1CCCCC12CC2)C1CCCC1	2253882737	ZKUMUVIDWICPNT-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H]1CCC[C@@H]1CC1CC2(CCCC2)C1	2254112259	JDCKQZPCJNJDAS-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@H](N)CC1CC2(CCCC2)C1	2254121474	CPJWNTTXTMUSRH-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCC[C@@H]1C[C@@H]1C)CC1=CCCCC1	2254509704	GHLYRWAOGOMSDK-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)[C@@H]1CC12CCCCC2	2254591835	MLHMRCCHNPJNHT-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)C1CCC2(CC1)CC2	2254607298	SQZNWHZILAPUIE-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CCC(CN)(CC2=CCCCC2)CC1	2255098580	DXVWOJGYJXWRDB-UHFFFAOYSA-N	249.442	4.668	0	10	BJAE	
CN[C@H](CC[C@H]1CCCC12CC2)CC1CCCC1	2255292250	WASUBGOCGGCEBI-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@@H]1C)C1(C)CC=CC1	2257304333	AXUXXTFOYLCLPG-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(NCC2CCCCCC2)cc(C)c1C	2258249024	USTIXDNIPKZNMM-UHFFFAOYSA-N	245.410	4.994	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)c1cccc(CC)c1	2259448979	TVMQLMCVPIASEP-DOTOQJQBSA-N	247.426	4.726	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@@]23CCC[C@@H]2CC3)CC1	2260486712	DBBNPKKBILNRFK-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@]12CCC[C@@H]1CC2	2260579007	OOABXPRYUSHMQU-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@]23CCCC[C@H]2CC3)C1	2260622453	MAGOTIDPFCLDMG-UMAGBFNSSA-N	248.410	4.742	0	10	BJAE	
C[C@@](N)(C[C@]12CCCC[C@H]1CC2)C1CCCCC1	2260668029	DURSRXRYGXSVOY-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)[C@@H](N)c1cccc(C2CCCC2)c1	2260738767	XOSRJNWNEXERLI-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CC1=C[C@@H](NCC2CC(CC(C)(C)C)C2)CCC1	2261181618	JDCXHCCWTKGAJE-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC1(C(=O)[C@H](C)CC2CC2)CCCC1	2298894288	WZAFLIOZPGZCHP-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cc(C)ccc1C	2300682121	VZPIGUVMKJFVOS-INIZCTEOSA-N	233.399	4.520	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@]1(C)C[C@@H]1C	2300687698	FQFZDURUTFALMD-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@@H](NCCC)C1CCCCCCC1	2300881717	QXNWLVSSKPJLNO-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CCC=C(C)CC)C1CCCC1	2300895891	BXSHNBSUQKPVCU-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)CC2CCCCCC2)C1	2301143697	WLAUKNAUGVQHCB-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CC2CCCCCC2)C1	2301240877	DODCVHIFCVRZTH-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@H](C)[C@@H](C)C(C)C	2301828139	GXIHNMIHUOSZMI-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@@H](C)[C@H](C)C(C)C)CC1	2301964816	NMGRXVZDPFCVOF-LXTVHRRPSA-N	238.415	4.700	0	10	BJAE	
Cc1c(CCCC(C)C)cccc1C(F)(F)F	2302225241	RVTUKHSKDFEZDG-UHFFFAOYSA-N	244.300	4.993	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@H]1C=CCCC1	2302297390	OFWUZDSVGLLNEV-HNNXBMFYSA-N	232.367	4.583	0	10	BJAE	
CC(C)(C)C1(CCC2(N)CCCCC2)CCC1	2302566506	TZFDLPZHIRESQV-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](F)C1(N)CCCCC1	2302588142	YTBAYDKGGKLGTR-KGLIPLIRSA-N	243.410	4.593	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@@H]1CCC(C)(C)C1	2302720848	HVTAJLYTXXSFEG-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1CC[C@H]1C(C)(C)C	2303403279	ZAKZYBAGSDFVTN-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](O)[C@H](C)C(C)(C)C)CC1	2303526721	ZIVFETDLHRTOIN-ZNMIVQPWSA-N	238.415	4.556	0	10	BJAE	
CCc1cc(F)cc(NCCC(C)(C)CC)c1	2304008683	JHPXQYLSYJPAQQ-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
CCC[C@@H](CC[C@H]1CCC(C)(C)C1)CNCC	2304429770	ZVUUZRHIGFGKIO-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2304433259	AEVZAOPDBOMYSM-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)Cn1ccc2cccc(F)c21	2307806157	LLMUZSGAZSLYLR-GFCCVEGCSA-N	233.330	4.607	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H](CC)CCC	2307909741	LJWYPMBWJTULJM-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CC[C@@H](NCC[C@@]12CCC[C@@H]1C2)C1CCCCC1	2310374534	YOWPAYUJFJUCGF-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@@]12CCCC[C@@H]1C2	2311131332	HVVVILRNJMRKAW-ZMSDIMECSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	2313031207	PQSZXNUTYXEFJT-CQJMVSDSSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1C[C@H]2CC[C@@H]1C2	2313172076	FLOWCAOMFQZGHV-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
C[C@@H](CC1CCC1)N(C)[C@H]1CCC2(CCCC2)C1	2313648515	QCLOWZLRAKFBIG-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(N)(CC2CC2)CC2CC2)C1	2315440548	URVIIVNVJDYERY-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1C[C@@H]2CC[C@H]1C2	2315881957	YYYAFYCXWNIUMD-UKPHBRMFSA-N	243.394	4.719	0	10	BJAE	
CCc1cccc(CC)c1N[C@H](C)[C@@H](C)C(C)C	2317995288	OWFOWZPKSBNDET-UONOGXRCSA-N	247.426	4.904	0	10	BJAE	
C[C@H]1[C@@H](C(=O)C2CC3(CCCCC3)C2)CC1(C)C	2318284642	IYASGSQCWUXCJO-JSGCOSHPSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cc(C)c(O)c(C)c1	2318428812	RBPHMKPUIIWIOK-BXUZGUMPSA-N	249.398	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CCCC2=CCCCC2)C1	2318562371	VCTVAOBAZHCVFP-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CCCNC[C@H]1CC[C@H]1CCCC1=CCCCC1	2318593937	ZVVADPREHPJUOI-IAGOWNOFSA-N	249.442	4.683	0	10	BJAE	
CC=CCCCC(=O)c1cc(F)ccc1C1CC1	2319175405	FWKUVAPDAHPHAA-UHFFFAOYSA-N	246.325	4.632	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC[C@@H]2CC[C@H]2C2CC2)C1	2319730691	OFHYXDCXEMAHHN-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC[C@@H](N)CC2CCCC2)CC1	2320335790	CXMGNNFWVQNNJG-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CN[C@H]1C[C@H](C[C@H]2CCC(C)=C(C)C2)C[C@@H](C)C1	2320387487	HLPRFGLMQKFZJW-ISWURRPUSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2C[C@H]2C2CCC2)CC1	2320415671	CLKJHTBUHLVZPG-KBMXLJTQSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cc(O)cc(F)c2)c1	2327679854	GWXMSSJHRPUOLV-UHFFFAOYSA-N	244.309	4.630	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC[C@@H]3CC[C@@H]32)c1F	2327808465	WOIYMSIHJWVHNG-UBHSHLNASA-N	247.357	4.550	0	10	BJAE	
CCCCCCc1ccc([C@H](N)CCCC)cc1	2327898928	KTPIVNIUMBBPEJ-QGZVFWFLSA-N	247.426	4.999	0	10	BJAE	
CCC(CC)Nc1ccc(SC(F)F)cc1	36919558	LLVMQYJECMSWRH-UHFFFAOYSA-N	245.338	4.602	0	10	BJAE	
CCC[C@@H](C)CNc1ccc2ccccc2c1	36951836	GJVJEMYKUTYHFX-CYBMUJFWSA-N	227.351	4.688	0	10	BJAE	
CC[C@@H](C)[C@H](C)N[C@@H](C)c1cc2ccccc2o1	37070837	YZJPZYNDIQVYIS-AGIUHOORSA-N	245.366	4.518	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)C)cc1)c1ccco1	54082714	NQRPPYPXCIZFFW-HNNXBMFYSA-N	243.350	4.966	0	10	BJAE	
CC(C)c1cccc(Oc2ccc(Cl)nc2)c1	62466001	UEBDESCJPPLTTK-UHFFFAOYSA-N	247.725	4.651	0	10	BJAE	
CCCCC[C@@]1(O)CCCC[C@H]1CCCC	62722078	DDMHYMPKMMODTE-HUUCEWRRSA-N	226.404	4.678	0	10	BJAE	
CC[C@@H](C1CCCCC1)n1c(C)ccc1C	71084580	DFPKNXXNPLYTAT-HNNXBMFYSA-N	219.372	4.636	0	10	BJAE	
Nc1ccc(-c2ccc(C3CCCC3)cc2)cc1	75877976	KCYYSDHJSSXFDV-UHFFFAOYSA-N	237.346	4.593	0	10	BJAE	
CCCCCC[C@@H]1CCCC[C@H](NCC)C1	80413669	RBXLGRWBZFJYCC-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H](CCC[C@H](C)CC)c1ccccc1	80424404	ZBSIZFDOZMXKPQ-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@@H](C)N[C@@H]1CCCC(C)(C)CC1	83435740	KKQYRSOLQHPXKH-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CCC1CCC(C(=O)c2ccc(C)cc2C)CC1	87934034	QJNWLZYMWZMIBC-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1CCCCC1(C)C	94274854	PJXATCXMQCBZRL-CABCVRRESA-N	239.447	4.760	0	10	BJAE	
CCC1CCC([C@]2(N)CCCCC2(C)C)CC1	94279578	CTHHYYHOYKKCNF-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)c1cc2ccccc2c(C)c1C	98090193	JBZFLSWSDAMZOY-NSHDSACASA-N	212.336	4.970	0	10	BJAE	
Cc1cccc([C@@H](C)NCCC2CCCCC2)c1	103980194	WXILTCGYKTZATH-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
C/C=C\CCc1cc(Cl)ccc1OCCC	107583467	PATKKUFNLBPKFA-HYXAFXHYSA-N	238.758	4.638	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)c1ccc(CC)cc1	109722785	KTMDGKFCLUPICE-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCC[C@@H]1C	109900239	IVFJROHIKHYTGX-SWLSCSKDSA-N	231.383	4.548	0	10	BJAE	
C1CCCC2(CCC1)CCNC[C@@H]2C1CCCC1	128560691	TYPHGWUWQONCMC-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CC[C@H](c2nc(-c3ccccc3)cs2)C1	131833274	JLBQNIUMTVKVDU-AAEUAGOBSA-N	243.375	4.714	0	10	BJAE	
CCCCCC[C@]1(O)CC[C@H](C)c2ccccc21	137030536	KWZSRXRQFOGHFG-YOEHRIQHSA-N	246.394	4.742	0	10	BJAE	
Clc1ccc(-c2ccc(Cl)s2)s1	144816534	NLLYFHBKYPUMQM-UHFFFAOYSA-N	235.160	4.783	0	10	BJAE	
CCCNC[C@H]1CCCC[C@H]1C[C@@H](C)CCC	155597247	ZWIFAEZXIVFJTD-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](O)C1CCCCCC1	157256910	HVPZSZNVRKHILD-DLBZAZTESA-N	246.394	4.512	0	10	BJAE	
CCCc1cccc([C@H](O)C(CCC)CCC)c1	159825685	AVKLVZPPAYKQEN-QGZVFWFLSA-N	248.410	4.889	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CC2=CCCCC2)cc1	161094348	HJHIJKDRVGAZNK-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)c1cccc(CCC)c1	166204369	WVHHUVVVBUVTBI-HUUCEWRRSA-N	247.426	4.521	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CCC[C@H](CC)C1	166286088	MDHQJHTULULDJY-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CC(C)CCC(=O)c1ccccc1C1CCC1	168858882	WWOJUPOGLKCFDR-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCCC[Si](C)(CCCN)CCCCC	195767194	MLKKAORGGQLRBF-UHFFFAOYSA-N	243.511	4.794	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@@H](CC(CC)CC)C1	227535592	RSVSKSXMIAGYSN-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1cc2ccccc2s1	229339413	PPSUVWNPDQQTLO-LBPRGKRZSA-N	248.391	4.761	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@H](Nc2ccccc2F)C1	230765563	ICSVVYANLQIYTP-ZIAGYGMSSA-N	249.373	4.843	0	10	BJAE	
CC(C)CCCCNc1ccc(C(C)(C)C)cn1	232547122	ICKCFESAACHCNR-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
CC(C)Cn1ccc2c(Cl)cc(Cl)cc21	232669489	ACEQSKNIZVLRRP-UHFFFAOYSA-N	242.149	4.604	0	10	BJAE	
CCCCC[C@@H](NCC)c1c(C)cccc1C	232978178	GOGLHSAXNMGKMJ-OAHLLOKOSA-N	233.399	4.534	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2ccc(F)cc2C)C1	235401056	RXRIEZSWHLYRBW-FZMZJTMJSA-N	247.357	4.538	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1ccoc1Cl	300058894	ICGQNPGTXOZKNZ-CMPLNLGQSA-N	244.762	4.573	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@H](C)CC(C)(C)C)NCC	300461205	DSDLNNVLRWPSMO-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)CCC1CCCC1	302242641	GEWWCKGJCYGKTG-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H](C)c1ccsc1	304448051	WXKHTLNQLYWPHM-NWDGAFQWSA-N	239.428	4.614	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CCCC(C)(C)C)C1	305904897	DUCSELBUNPDYDN-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(S[C@H]2/C=C/CCCCC2)c1N	305927543	CTKWYIUFXVTNOX-NEXMIYJRSA-N	247.407	4.558	0	10	BJAE	
Cc1ccc([C@H](N)CCCC(C)(C)C)c(C)c1	305961276	WUZJDVNRAGPJLV-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CSc1ccc(Cl)c2scc(C)c12	307102131	ZGMQIIMOFHIIFE-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1cc(SC)cc2cc(Cl)sc12	307441192	ZCKXSJJFKVUGEH-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCC1=CCCCC1	308052417	GTSIYFBQJVPREL-OAHLLOKOSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@](N)(CC)CC1CCC(C)CC1	309439826	LICCFQDBMJVAJV-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)CC(=O)CC1CCC(C)(C)CC1	309447102	NFSWXKTVFRSEST-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](C[C@H](N)CCCC(C)(C)C)CC(C)(C)C	309992262	UTDULCGBEARGHM-UONOGXRCSA-N	241.463	4.993	0	10	BJAE	
CC[C@H]1CC[C@](N)(CC2CCC(C)(C)CC2)C1	310384390	HLVWIJREPYKUCA-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](CC)c1cccc(C)c1	310838864	ARQUFDQIDFNRFM-SJORKVTESA-N	247.426	4.657	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1ccccc1C(C)(C)C	319533459	MPWCWAFDMLCVCB-WOSRLPQWSA-N	248.410	4.700	0	10	BJAE	
CC(C)[C@H](NC1CCC2(CCCC2)CC1)C1CC1	324023764	SGPGLQQLMYMOEU-INIZCTEOSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)C1(CC)CC1	380764213	QLAFOXVVGZAZKI-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@@H](C)CC(C)(C)C	380862906	PSBRSNRIPFPENR-CHWSQXEVSA-N	226.404	4.700	0	10	BJAE	
CC(C)CCCCCC1=C[C@@H](O)CC(C)(C)C1	383082002	ABVIBWKGMWBZJL-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
Cc1ccccc1C[C@@H](O)CCCCCC(C)C	383483216	FAFLDRPGRRHCSM-KRWDZBQOSA-N	248.410	4.505	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@@H]1CCC[C@@H](C)C1	383688340	QBQOJBUUUWXDPZ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC(C)(C)C(C)(C)C)CC1	383934391	CKVZKFVXNHTBCX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@]1(O)CCCC1(C)C)C1CCCCC1	383955147	HBCBNMWWICCNFG-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C[C@@H](C)c1ccccc1	384893136	LWWVVNYODZQMBC-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)c1ccoc1	385206146	PSDNHHUAVXEWCA-MRXNPFEDSA-N	247.382	4.601	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CCC1=CCCCC1	385876461	KETVBGAHFUEIBI-MRXNPFEDSA-N	243.394	4.584	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CC[C@@H](C)C[C@@H]1C	391222136	ZPCCRMGHNKDPGN-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1CCCC12CCC2	394756069	BDFDFBDPXQXAIF-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CC[C@H](NCCCCCC(C)C)[C@@H]1C	394770051	TWANIRSFIVMCPS-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2CCCC[C@H]2C)c1	394878688	HEXPJNQEOXLSJN-HIFRSBDPSA-N	231.383	4.542	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@H](C)CC(C)C	395154518	GTSYYWUBKKSPNB-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
CCc1ccc2sc(C)c(C(F)F)c2c1	396217298	IOVGOLKLABDYGE-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
Cc1cc2ccc(S)c(C(F)(F)F)c2s1	396301866	LEXSAXLHWZPPMB-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC1(C2(Nc3ccc4ccccc4c3)CC2)CC1	398212820	IMNSKKGWJZZBHB-UHFFFAOYSA-N	237.346	4.584	0	10	BJAE	
CCN[C@H](c1ccccc1CC)[C@H](C)C(C)(C)C	399110710	LEAVJQNYKPZDQO-BBRMVZONSA-N	247.426	4.582	0	10	BJAE	
CC(C)CNC[C@@]1(CC2=CCCC2)CCC[C@H]1C	401095998	FGBYDYHMMDTPPR-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC([C@@H](O)CCCC2CC2)CC1	405954261	JCXWCQXPKPJNHE-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc([C@]2(O)CCCC(C)(C)C2)c1	688939019	NNYJBZULEBTHDI-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CC[C@H](Nc1ccc(C2CCC2)cc1)[C@@H]1C[C@@H]1C	690091371	AFDVHLCZTTUHRK-VUCTXSBTSA-N	243.394	4.801	0	10	BJAE	
CCN[C@H](CC(C)C)[C@@H]1CCC[C@@H](CC)CC1	695071096	SJTCICBKIMIJAN-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CCCCC1)CC(C)(C)CC	696251420	WSWRNJYPJICGFF-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCC(C)(C)CC)CC1	696678946	PLWZNMJNIXHHLK-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
C1CCCC([C@@H]2CNCCC23CCCCC3)CC1	696855787	PCENASMGTOTLJG-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CCC(C)(C)CC(=O)CCCCCC(C)C	697212345	XISMDFZHKOOGGZ-UHFFFAOYSA-N	226.404	4.988	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cc2ccccc2s1	701096700	CBQWVFNYKUBTLF-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CCOc1ccc(NCCCCC(C)C)c(C)c1	703979003	JWEMHDBYPSNZQT-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
C/C=C\[C@@H](NCCC)c1ccc2sccc2c1	704614849	SUZXMMLIPGGJJE-PKXJPQMGSA-N	245.391	4.518	0	10	BJAE	
CC(C)[C@H](Nc1cccc2ccsc12)C1CC1	705363832	BDRRWBSHFZIHFT-AWEZNQCLSA-N	245.391	4.748	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)[C@@H](C)C(C)(C)C	708424674	CEUJAIZVLDZAGO-SNVBAGLBSA-N	238.758	4.513	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)(C)C)[C@@H](C)C(C)(C)C	709087159	KORSNXAOMSFFJT-MGPQQGTHSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](C)C1(C[C@@H](C)CC(C)(C)C)CC1	709106040	VGQZHWHLLFFCRT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@H](CO)C1CCCCC1)CC(C)(C)C	709118453	OUVGJYVLQGGOQH-DZGCQCFKSA-N	240.431	4.638	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CCCC[C@@H]1C(C)C	710025538	PNUCRLCHGVYCSX-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(NC2C(C)(C)CCC2(C)C)cs1	710775323	QMABUKJSOHZJIK-UHFFFAOYSA-N	237.412	4.683	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)C(C(C)C)C(C)C	710792900	HWWTWVOAFQUQCR-UONOGXRCSA-N	241.463	4.575	0	10	BJAE	
C[C@@H](C[C@@](C)(O)CCC(C)(C)C)C(C)(C)C	710795199	APPJNRUOZCLPPX-WFASDCNBSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](C[C@@H](N)C1CCCCCC1)C(C)(C)C	711113214	NDZUXIRTVIBTNZ-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)C[C@](C)(N)c1cc2ccccc2s1	713205835	FCIOXYSASXWMDS-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H]1CC[C@H](CC)CC1	713325996	NYHFXGDDJOYZEU-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1CC(C2CC2)C1	714418403	GVXDQTZEZKKADT-LRVUVFPRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCCC(C)(F)F)[C@@H](C)CCC	718723090	RJDWMWGFOHGTQG-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC1CCC([C@H](O)CCC(C)=C(C)C)CC1	718728610	TWKZKMKSIGPKTA-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)CCC=CCCC1	719019295	LESNTESVIWMZSG-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@@H]1CCCCCC1(C)C	719251075	HVGMCADBDBMXLO-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCC)C1(C)CCC1	720786031	GUJIVTHOZMOYBH-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(C)c(OC)c1	821909998	VEMJURGLNLIIEL-GXTWGEPZSA-N	249.398	4.630	0	10	BJAE	
CCC(CC)SC[C@@H]1CCC[C@H](C)C1	1458943562	DVBGEWIAUXCLCU-NWDGAFQWSA-N	214.418	4.735	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1cc(C)ccc1F	1620889973	RBSBAUKQXRBMEA-KBPBESRZSA-N	247.357	4.538	0	10	BJAE	
C1=C(CCN2CCC[C@@H]3CCCC[C@@H]32)CCCC1	1654300749	LAILLDYLIFDJDZ-IRXDYDNUSA-N	247.426	4.532	0	10	BJAE	
CCC(C)=CCc1ccc2sccc2c1O	1900891734	BYRKKZDRCGFYIV-UHFFFAOYSA-N	232.348	4.506	0	10	BJAE	
CCCOc1ccc(-c2csc(C)c2)cc1	1901897196	VUZQUTKYXDVLJZ-UHFFFAOYSA-N	232.348	4.512	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1sccc1CC	1905380340	DUHAINAOKTYRNZ-WCQYABFASA-N	240.412	4.560	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1ccc(CC)s1	1905385670	BYLXLFPZDMQVDD-DGCLKSJQSA-N	240.412	4.560	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CCC1CC(C)C1	1905430855	FIXAJZLXWJFPCJ-ROKHWSDSSA-N	224.388	4.598	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1C[C@H]1C1CCCC1	1910695170	BXGWXRUVROCYJZ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(OC)c(Cl)c1	1911988968	YNNUPXCLAKPREO-LLVKDONJSA-N	238.758	4.808	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(N)CCC2(CCCC2)C1	1916415534	PQKNRMYYVGELFV-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@](C)(O)CCCC(C)C	1919960569	DQEBNGSFOLUMFQ-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@H]1CCC[C@H](CC)C1	1919963967	ZYVZWSYMYRMSGB-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@](O)(CC[C@@H]1CC1(C)C)c1ccccc1	1921547521	YJMAUCRVCYWPDS-NVXWUHKLSA-N	246.394	4.501	0	10	BJAE	
CCCCC[C@@]1(CNCC)CCCC12CCC2	1921595635	QHXWSXOICAZICA-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@]2(CN)CCCC23CCC3)C1	1921655991	CCVXRJOEDFNCIR-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
C[C@H](C(=O)CCC(C)(C)C)C1CCCCC1	1924085445	DRWGEHBUJTWNKH-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](NCCC)[C@H](C)C1CCCCC1	1924148976	PRLXNOXMGABMLN-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](O)(C[C@@H]1C=CCCCC1)C(C)(C)C	1925946817	WJKRUCBJJXVZOI-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1CCCCC1(F)F	1926151926	HVMPZPUARMDPGQ-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H](C(=O)c1cscc1C(F)F)C(C)C	1936211329	SJCBWKLGMVCCEJ-MRVPVSSYSA-N	246.322	4.551	0	10	BJAE	
CCCC[C@@]1(CNC(C)(C)C)CC=CC[C@H]1C	1940953942	RRMRWFQPCGFXRF-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
C[Si](C)(C)CCNc1cccc2ccccc12	1941331347	DMUABNQRIGUMFV-UHFFFAOYSA-N	243.426	4.590	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCCC1CCC1	1941470536	RPHXDHHTYYVERP-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCCCCC2CC2)[C@@H]1C	1941591887	PAHJUQUPPAWQGW-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)([C@@H](C)CCC(C)C)[C@H]1CC1(C)C	1942656032	CFEBWOALYRJWCU-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CC[C@H]2CCCC[C@H]21	1946368536	SGUDSZXTVSAEGX-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CCCC1CCC1	1949008071	SLCKRULBCCTMIR-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H]([C@]2(O)CCCCCC2(C)C)C1	1949435679	UOQKKOWYRUMWBI-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CC[C@H](C)CC(C)C)CC1CCCC1	1949864433	NCTGXEPNDFSATR-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(N[C@H](CC)CC2CC2)cc1C	1950100293	MGIBOUDNEOLLIR-OAHLLOKOSA-N	231.383	4.548	0	10	BJAE	
CC(C)CCC[C@H](N)[C@H]1CCCC(C)(C)CC1	1950922480	OEJNEQIUJUXLOL-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)NCc1c(C)cc(C)cc1C	1968665785	QMRMFWXICSQKPJ-INIZCTEOSA-N	247.426	4.670	0	10	BJAE	
CCCC1CCC(CN[C@@H](C)c2ccco2)CC1	1968839630	ULNNOKNBGMWZOS-NFOMZHRRSA-N	249.398	4.537	0	10	BJAE	
C[C@H]1c2ccccc2CN1CC1(C)CCCCC1	1970739291	JWYAVLRSGUSZFX-AWEZNQCLSA-N	243.394	4.534	0	10	BJAE	
CCc1ccc(NC[C@H]2CCC(C)(C)C2)cc1C	1972023628	TZVCBSIOLDYGCD-AWEZNQCLSA-N	245.410	4.796	0	10	BJAE	
CCC(CC)(CC)C(=O)CCCC1CCC1	1978452127	WPHJFUXFNKTOIH-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@H](C)CCC	1978664905	SRUZCXFRWZHOJB-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
CCCCC(=O)CCC1(C(C)(C)C)CCC1	1989450025	UUMDWQUKUQTRCD-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H](C)C(C)(C)C	1990092176	WDLDHJGDEYSIAY-UKRRQHHQSA-N	227.436	4.747	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cc(Cl)c(F)cc1C	1995048850	UTODAZQANQUJLS-WPRPVWTQSA-N	243.753	4.634	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CCC1(C)CC1	1995259140	KOHRGRDZHJMREW-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)[C@@H]1CCCC(C)(C)C1	2000032285	LFKZWWNRHSREDP-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H](C)CCC(C)C	2000195599	VKOXPXBMAFDBJX-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)CCCC1CC1	2000368399	QWXIDHLMNYAEPW-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCCCCC(=O)C[C@H]1CC12CCCCC2	2001250171	KDVIFTHHXDSMLH-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2001494759	NDHSCJIJACROGF-QLFBSQMISA-N	236.399	4.598	0	10	BJAE	
CSc1cccc(NC[C@@]2(C)CC=CCC2)c1	2001700739	STRYNDQBVRWELV-HNNXBMFYSA-N	247.407	4.567	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(N)[C@H]1CCCC(C)(C)C1	2003019887	YBWAFICTXLOXQT-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCC[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2003023453	XMGOPKDWSJKQBB-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
C[C@@H](N[C@H]1CCCC(C)(C)CC1)C1(C)CCC1	2004834710	PLMHWXAYCAZKEL-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCCC23CC3)c1Cl	2005536145	KDTYSFOPNXQCLF-CYBMUJFWSA-N	249.785	4.783	0	10	BJAE	
CC1=C(C)[C@@](N)(CCC2CCCCC2)CCC1	2006973350	WAQJMHKJBAVZNE-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC=CCCCN1CCCCC12CCCCC2	2009568648	GHNFUAQHZZVYDZ-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C(C[C@@H](O)C(C)(C)C)CC1	2010711633	BZUOMGIBJMZZGU-ZIAGYGMSSA-N	238.415	4.556	0	10	BJAE	
Clc1cccc(OCC2CC(=C3CCC3)C2)c1	2011064963	BRDMNHCDKRHYJL-UHFFFAOYSA-N	248.753	4.609	0	10	BJAE	
CC(C)CCCCN[C@H]1CCCCCC12CC2	2011271546	LBMVEHJJANZZKP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H]1C[C@@H](C(C)(CC)CC)CC(C)(C)C1	2012052936	BKLUDJVPKGLPBY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H](N)C[C@H](CC2(C)CCCCC2)C1	2012053257	BYNBTTODWPNWEX-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@@](CC)(C[C@@H](C)C(C)(C)C)C(C)C	2012421000	HMCPINGZHMVYEG-GDBMZVCRSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@@H](CC)[C@@H]1C	2013262215	AKDINTDVIWTTHH-ZJIFWQFVSA-N	239.447	4.616	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC1CCC(C)CC1	2013271084	ONXJWTNYPPIJKW-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](NCCC1(C)CCCC1)C1(C)CCCC1	2014338718	JGJZERAFFJBMSC-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](Nc1ccc(CF)cc1)C1(C)CCCC1	2014339752	NPHGPXKALNTNSE-GFCCVEGCSA-N	235.346	4.537	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H](C)C1(C)CCCC1	2014394188	QBLPGUYRNJYXNE-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC(C)(C)C)CCC1(C)C	2014849133	LBAWBTFVLKYLPE-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](O)CCC(C(C)C)C(C)C	2015330791	ABJHZQLATHJXLC-OAHLLOKOSA-N	242.447	4.882	0	10	BJAE	
CCCC1(C[C@](O)(CC)C[C@@H](C)CC)CCC1	2015636309	WGNNQEXNLZRZSJ-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]([C@@H](N)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017146496	TWCIAGYRJDGJJN-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@@H](C)C(C)(C)C)CC1	2017721221	KBUYFQMVBARUQM-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@H]1CC[C@H](C)CC1)c1ccc(N)cc1	2017735808	GJVNCZPOMNAXOU-MGPQQGTHSA-N	231.383	4.589	0	10	BJAE	
CCC1(C[C@@H](O)c2ccc3sccc3c2)CC1	2018964211	FUYRHUIDVREUNJ-CYBMUJFWSA-N	246.375	4.515	0	10	BJAE	
CCCC[C@@H](CC)N(C)CC1CCC(C)CC1	2019170271	MQNSTSQXAFBENF-UYSNPLJNSA-N	239.447	4.713	0	10	BJAE	
CC(C)C[C@H](C)N(C)[C@H]1C[C@H](C)CC(C)(C)C1	2019299663	LLGNRKHWQSMSBI-KKUMJFAQSA-N	239.447	4.568	0	10	BJAE	
CC(C)CCCN(C)C1CC(C)(C)C(C)(C)C1	2019300231	QWAGQGREMQEMFN-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](C)N(C)[C@H](C)C1CCC(C)(C)CC1	2019304955	BXXTYKAGFBIQET-ZIAGYGMSSA-N	239.447	4.712	0	10	BJAE	
CC[C@]1(C)CCCN(CCCC(C)(C)C)CC1	2019327209	DKZRGZGHQPXTDW-MRXNPFEDSA-N	239.447	4.715	0	10	BJAE	
CC1(C)CCC[C@H](CC2(N)CCCCCC2)C1	2024097448	XVOCHTDXLVHCMN-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CSc1cccc(N[C@H]2CC[C@H](C(C)C)C2)c1	2025575275	SYQXCVIKJBCDLA-JSGCOSHPSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CC[C@H]2C[C@H]2C1	2026062497	REACPKJOBAALOH-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)[C@@H]1CCC12CCCCC2	2027006271	LOUHTHMJRDJGQF-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CC1(C[C@H]2CCNc3ccccc32)CCCCC1	2027310231	YQKJTLGNXIPOON-CQSZACIVSA-N	243.394	4.946	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(F)c1ccc(N)cc1	2027937231	XQUABCFRDFJNJZ-DAXOMENPSA-N	249.373	4.670	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)c1ccc(C2CC2)cc1	2028594367	WKQYKXANFUCBEG-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CN[C@@H](c1ccc(C2CC2)cc1)[C@H](C)C(C)(C)C	2028606221	UNSNIXPXGWHCJT-BLLLJJGKSA-N	245.410	4.507	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CCCCCC1CC1	2028630727	IUBZFTXBYNUXTF-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cccc2c1CCCC2	2029729601	YAPLUPQVSXKZKE-CYBMUJFWSA-N	244.378	4.574	0	10	BJAE	
CC(C)[C@@H](Nc1ccc(C2(C)CC2)cc1)C1CC1	2032243008	POKLPZCGPRXCCT-MRXNPFEDSA-N	243.394	4.585	0	10	BJAE	
CCN[C@@H](c1cccc(CC)c1)C(C)(C)C(C)C	2032340279	YHZDJZAOCNUFQM-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CCC1CCC(=C2CCNC[C@H]2CC(C)C)CC1	2032491498	ULADUWPNWWIJQF-BZSJEYESSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@@H]1CC2CCC1CC2	2035408524	KVDGSCIBYDKSRJ-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@]2(N)C[C@@H]3CCCC[C@@]3(C)C2)CC1	2036660220	IPYIMLLNWCDOGB-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](N)c2cccc(C3CCC3)c2)CCC1	2037089461	FLMDAVTXTUOMCS-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
C[C@H]1C[C@H]1c1ccc([C@H](N)CCCC(C)(C)C)o1	2037106130	ZEHVNMCVMBZWPQ-YNEHKIRRSA-N	249.398	4.619	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1c(C)oc2ccccc12	2037215431	KILCXWNUKNVMGZ-OAHLLOKOSA-N	245.366	4.567	0	10	BJAE	
CC[C@H](C(=O)C[C@H]1CC[C@@H](C)C1)c1ccccc1	2040138243	NAYHXGSTAIAYTL-YCPHGPKFSA-N	244.378	4.576	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@@H]1CCC=CCCC1	2045318316	UOAPECBWJCVTMR-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)[C@]1(C)CC1(C)C	2045326988	RWHVICJPSKDCRG-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CCC(=O)c2ccccc2)C1	2045468124	HAYJBBBWSCUWQS-CQSZACIVSA-N	244.378	4.866	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CC1CCC(C)CC1	2045681474	ZJSKNEIKTYRYCG-RZUWBANKSA-N	248.410	4.764	0	10	BJAE	
CCCC1([C@@H](NCC)C2=CCCCCC2)CCC1	2045803412	ZFQONCQRIYJVKF-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@H]1C(C)=CCC[C@@H]1C	2046913280	LKWDSUYASYIHLR-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)C[C@@H]1CC12CCCCC2	2047006388	AKYAAWMGCXUCOR-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCCN[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048382109	KLLDBECODKOIKW-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@H]2[C@H]3CCCC[C@H]32)CC1	2049218974	IGXVGTMYERKBRG-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc([C@H](N)CC2(C)CCCC2)c1	2049791411	DZNMQTGUALZMGV-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
NCC1(C[C@@H]2CCCC3(CC3)C2)CCCCCC1	2049846531	UDEYZUBYBFJULX-OAHLLOKOSA-N	249.442	4.646	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CCC3(CC3)C2)CCCCCC1	2049850759	ABMSWYNWWQULMZ-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C[C@H]1CCCC2(CC2)C1	2049853349	DQBWEQXPCHMTJV-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCC1)C[C@@H]1CCCC2(CC2)C1	2049941426	WTBOSXIQHFIBAF-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)C2CCC3(CCC3)CC2)C1	2051644835	HQPCMHHQHXEJBO-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCCCC12CC2	2053325524	IJBUHFJJLGLECP-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCCCC[C@]1(CNC2CC2)CCCCC12CC2	2053353328	AZQGQVGVXYZEKT-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@]2(CN)CCCCC23CC3)C1	2053411153	NUQLHMCPUJOEKX-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CC1=C[C@H](NCC2CCC(C(C)C)CC2)CCC1	2055550204	RLZXHICTBCSFEW-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)C1CCC(C)(C)CC1	2056879541	UFLIBYGKAWSYMJ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@](CCC2(C)CC2)(CNC2CC2)C1	2059179828	FPCQPFCTCUWJRJ-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC=C([C@@H](N)C2CCCCCCC2)CC1	2061087880	IXTRCSSPCDZGMB-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)C[C@]12CCC[C@H]1C2	2061611100	DUOVDGVIPHZHTD-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NCC1(CC[C@@]23CCC[C@@H]2C3)CCC1	2061613886	BMZLZGWLVSBYKU-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(CC(=O)CC2C[C@@H]3CCC[C@H]3C2)C1	2063417762	FHSMYLZHGDFUBV-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@H](N)C2CC3(C2)CC(C)(C)C3)CCC1	2063792228	GDVJRIKJNIWOAA-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(CNC23CCCC2CCC3)CC1	2063902434	DBGHXQRHIPUILO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(NC2CC(CC(C)(C)C)C2)c1	2067983683	WRPWIAHUJRCOCX-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
CC[C@@H](CNc1ccc2c(c1)CCCC2)C(C)C	2070274889	PVSANXGIGVWJQH-AWEZNQCLSA-N	245.410	4.660	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@@H]1C1CCC1	2071823709	BAODAYAJLBUOFA-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2072422813	FFZQLQPLFAKVKJ-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(CN)CC23CCC3)CC1	2072798852	NKNZRYVPGFTUEN-ZOBUZTSGSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC[C@@](C)(N[C@@H]2CCC23CCCCC3)C1	2073065218	CSWFIUPAXADSPY-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@]23CCCC[C@@H]2C3)C1	2074089562	DOSRFOZYJWQOBP-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@@H]2CCNC3(CCCCC3)C2)CC1	2074131609	CQILJKHIXDFWNZ-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2CCNC3(CCCC3)C2)C1	2074137976	GAQXDAQAGVBSOZ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@]1(C)CCCN(CCC2=CCCCC2)CC1	2075148152	LZYQHWMHELUBHN-KRWDZBQOSA-N	249.442	4.779	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H]([C@H]2C=CCCCC2)C1	2075407882	KSLGZNFCIMYMPV-ZNMIVQPWSA-N	248.410	4.764	0	10	BJAE	
C[C@@H](C[C@@H]1CCCNC12CCC2)C1CCCCC1	2076646004	ULNWXQGWIZVIPI-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCCN(C1CCC1)[C@H]1CCC2(CCCC2)C1	2076742828	ANJYDODUWCPHBN-INIZCTEOSA-N	249.442	4.754	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)[C@H]1C[C@@H]1CC	2079219161	AFOAFEYBDCSHEU-JQFCIGGWSA-N	245.410	4.507	0	10	BJAE	
O=C(CC1CC=CC1)[C@H]1C[C@@H]1C1CCCCCC1	2079482559	DQMXDCXUPWYOGT-CVEARBPZSA-N	246.394	4.518	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2C[C@H]2C2CCCCCC2)C1	2079491118	HETYMGXXNGRSAY-DISOXQEGSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@]1(N)C[C@@H]1C[C@H]1C1CCCCC1	2079671640	RHIHKDDZFABBSU-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@]1(CC=C1CCC1)CNC(C)(C)C	2081682428	VYCVYIJLSVPEGC-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC(C)=CC[C@H](O)c1ccc(C)c2ccccc12	2081779359	MBRHMXDSMWYYMB-KRWDZBQOSA-N	240.346	4.538	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCCC(C)(C)C1)C1CC=CC1	2082979399	NIBZOVWXVSFUPU-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CC(C)(C)CC3(CC3)C2)C1	2085262159	XJHXZVNXAAUJRT-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NCC)c1ccccc1	2086048892	ZDOTUBGZKWFDNB-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1cc(C)ccc1C	2086054236	QXDOSDCWLLTPQN-CXAGYDPISA-N	247.426	4.910	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CC[C@H]1CC	2212650039	VGJLASDRKLMKLM-MFKMUULPSA-N	237.774	4.503	0	10	BJAE	
CCC[C@@]1(CCCCCCC2CC2)CCCN1	2213572808	AHFJMUQEZXJZPK-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CCCC[C@@](C)(CN)CCCCCCC1CC1	2213574443	UEQOWZOYYARAAN-MRXNPFEDSA-N	239.447	4.892	0	10	BJAE	
CC[C@@H](CCC1CCCCC1)CN[C@@H](C)CC	2217144365	FGTGSUANBHYRFI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CC[C@@H]1C1CC1	2217239718	DXROBQYTCQIVML-HIFRSBDPSA-N	249.785	4.503	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN([C@@H]2C=CCCCC2)C1	2218170151	VASSMNDVUVFYLI-DLBZAZTESA-N	247.426	4.554	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218373423	JCAXDMUOWSOZPF-SDADXPQNSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)[C@@H](C/C=C/c1ccccc1)NCC	2219085624	OBSIQTYZTQYNJE-NSBLKUNKSA-N	245.410	4.504	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@H]1C1CCCC1)C1CCCCC1	2220289328	WCIHIOHBTWRFBO-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H]1CC1(N)CCC2(CCCCC2)CC1	2220672951	OJRLXXRRPRITGR-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCCCc1ccc(NCC[C@H]2C[C@H]2CC)cc1	2220929707	ROHRVIQKHCMAHY-CVEARBPZSA-N	245.410	4.877	0	10	BJAE	
CC1(NC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCC1	2222933825	OTQGCBYDJFCLJV-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NCC1(CCC2CCCC2)CC=CC1	2223559668	QFGIVGBOFYSBLT-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1cccc2ccoc12	2224181581	QKMXHDVRZJHUGS-WFASDCNBSA-N	245.366	4.649	0	10	BJAE	
CCC[C@H](CC)C(=O)[C@H]1CCCC[C@@H]1CC	2244775894	SGDRIWNCWVWFPV-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC(C)CC(=O)CCC[C@@H]1CCCCC12CC2	2246628571	YVZMOXQJZYZXBT-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC1(C(=O)CC[C@@H]2CCC[C@@H](C)C2)CCC1	2246658827	DEXCAEWUCQVHAF-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(O)CCCC2(C)C)C1	2246694679	QLFXXHDJUMWXOJ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@]1(O)CCCC(C)(C)C1	2247126051	BPSUNXRMPRDRFV-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC1(C)C)C1CCCC1	2247436343	WZXUSNZOANBPFZ-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC[C@@H]1CCCC12CC2	2247641880	WFHQXSBVNQLKCA-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC1(CCCNC(C(C)(C)C)C(C)(C)C)CC1	2247718435	UFKHLCXRFPPXNT-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)[C@H]1CC12CCC2	2248284579	YAHUZQSXNZMFMK-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@H](C)C1CCCCC1	2250361804	PZDMETSLLYLUHC-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(N)CC1CC1	2250466117	AJAGQRKLXQLKIV-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)[C@H](N)CC[C@@H](C)CCCC(C)C	2250479900	ZMLBZAANIZQDQQ-GOEBONIOSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(F)CCCN	2250480002	AQXCKGOFJPBMOS-GJZGRUSLSA-N	245.426	4.696	0	10	BJAE	
CN[C@@H]1CC[C@@H](CC[C@@H](C)CCCC(C)C)C1	2250485599	MXTNOGCXDSOJTG-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@]12CCCC[C@@H]1CC2	2251196743	POVWHNYOXJURQF-SQWLQELKSA-N	236.399	4.742	0	10	BJAE	
CCC(O)(CC)CCC1CC(CC(C)(C)C)C1	2251532513	XPOQHKANAIDFSV-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H](C)[C@H]1C(=O)C(C)(C)CCC1(C)C	2251710775	DCSNEZALNMIICR-OLZOCXBDSA-N	238.415	4.700	0	10	BJAE	
CCc1sc(-c2ccc(C)cc2)nc1C1CC1	2252759009	PLRYIDVNIRVTKY-UHFFFAOYSA-N	243.375	4.558	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1(C)CC(F)(F)C1	2252921240	ZTYHVRPNOFNGEJ-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
Nc1ccc(C=CC[C@@H]2CCCCC23CC3)cc1	2253801002	HZGGRQURNBUKDO-HNNXBMFYSA-N	241.378	4.643	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CCCC23CC3)C1	2253911538	SQZDOTDWHILEQG-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)C2CC3(CCC3)C2)C1	2253939278	RKNDHCXRPLHKJY-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](C)c2cccc(N)c2)C1	2253972307	WJKQKWXFKTYDHL-RBSFLKMASA-N	245.410	4.979	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1CCCC2(CC2)C1	2254583370	JTWYKFMILSFVHP-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@](C)(N)C12CCC(CC1)C2	2254598161	YXCOMWPSBILOLT-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)CC[C@H]1CCCC12CC2	2255278308	MSYPCQOAEWVZAN-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@](N)(CC[C@H]2CCCC23CC3)C1(C)C	2255327514	HKHCMGPUSGETTC-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNc1ccc(CF)cc1	2257361885	OQBTXNCCEAOKGG-ZFWWWQNUSA-N	249.373	4.784	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)[C@@]12CCCC[C@H]1CC2	2260498930	BMMCYNOFILZSRY-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@]12CCCC[C@H]1CC2	2260523800	GVABDTGEJDVONE-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CCC1(C(=O)C[C@]23CCCC[C@H]2CC3)CCCC1	2260578502	LXIZXYYYHNOEBJ-WMLDXEAASA-N	248.410	4.886	0	10	BJAE	
c1ccc2c(c1)ccn2C[C@@]12CCCC[C@H]1CC2	2260588707	TYLSSHFGSBHASZ-RDJZCZTQSA-N	239.362	4.612	0	10	BJAE	
CC1(C)CC(C)([C@H](N)C[C@]23CCCC[C@H]2CC3)C1	2260615569	JDQUUCRUOPMYFC-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CC(C)=CC[C@@H](O)c1cccc(C2CCCC2)c1	2260737643	KXUWSICUMJKBAY-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CC1=CCCC[C@@]1(N)CC1CC(CC(C)(C)C)C1	2261260520	NCUGFEKSZVHURN-VMBOVVBDSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCC1CC(C)C1)C[C@@H]1C=CCCC1	2261497910	QXCMLMONFLGRSS-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCCCCF	2300457221	APRIXKSINFYLLJ-UHFFFAOYSA-N	237.362	4.670	0	10	BJAE	
CCCc1ccc(-c2ccc(N)c(CC)c2)s1	2300640966	ROYNOIWEPHGMKW-UHFFFAOYSA-N	245.391	4.512	0	10	BJAE	
CCC(CC)CC[C@H]1CCCCCC[C@H]1NC	2300687047	XLGGFILYFQAWNP-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(N(C)CCC(CC)CC)cc1	2300698341	ZGSZZVHXCVTZPJ-UHFFFAOYSA-N	233.399	4.512	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1(C)CCC(C)CC1	2300701361	QVGCCLOTOCSWNO-OGVSOVDVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)NCC=C(C)CCCC(C)C	2300867386	LMDUWGAFAYGJNK-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@H](C)[C@H](C)C(C)C	2301984188	PEFBRTDWZGLTFO-OAGGEKHMSA-N	241.463	4.958	0	10	BJAE	
c1sc(CC2CCCCC2)nc1CCC1CC1	2302267831	KVXWAQFYQAQKQL-UHFFFAOYSA-N	249.423	4.609	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1CCC(C)(C)C1	2302686263	XVFHZMBIBQHISJ-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303472122	ORIGAYVLFDUKRG-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CCC(C)C)C[C@@H]1CCC(C)=C(C)C1	2303577011	CIJBOTWBBZTXER-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC(C)=C(C)C1)CC(C)(C)C	2303594005	BIJIXVYOHUNHAR-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCC(=O)c1cccc(C(C)C)c1	2303710597	BRIIKJIXVSZBMG-UHFFFAOYSA-N	230.351	4.739	0	10	BJAE	
CCCCC[C@@](C)(N)CC[C@@H]1CCC(C)(C)C1	2304437890	SQHFKRNUOQEFBA-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CC12CCCCC2	2307845337	QRJABLCPIXTHAI-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H]1CC[C@H]1C(C)(C)C	2307902350	KSOMACJWWYEJMQ-GBJTYRQASA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C[C@@]12CCCC[C@@H]1C2	2311145918	JOBSNOVAJCPGMD-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)[C@@H]2C[C@H]2C2CCCC2)C1	2311526028	PDEBOAGBXJRSFW-LQKXBSAESA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)[C@@H]1CCC[C@H]1C(C)C	2312824534	UEWOASOTQYOXNV-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CCC1	2312946142	IGPFTBZELBRBPK-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCCCN1C[C@@]12CCCC[C@@H]1CC2	2313316012	VNODJEKDSKBNPY-IKGGRYGDSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C[C@@]12CCC[C@@H]1CC2	2313344632	VNKZZIKLLXEXNM-YVSFHVDLSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1CCC1)[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2313664836	KXRQYSRMVQMCPS-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@@H]1CCCCC[C@@H]1C(C)C)C1CC1	2315278359	LUXGZTLUINTRLZ-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@](C)(O)c1ccccc1C1CC1	2315915066	GFVCQBHMHOZHIK-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cc2ccccc2o1	2316248867	TXHDREYVVVDDEO-AWEZNQCLSA-N	245.366	4.649	0	10	BJAE	
CCC(CC)CC[C@@](N)(CC)c1cccc(C)c1	2316253873	WBTRNPFWCCBAOX-KRWDZBQOSA-N	247.426	4.775	0	10	BJAE	
CC(=CCN[C@H]1C=C(C)CCC1)CCCC(C)C	2316498905	IDNINKCWCGMUIZ-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CC(C)(C)[C@H](N)CCC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317148430	MDNRJWNVTRRDOB-LVQVYYBASA-N	249.442	4.523	0	10	BJAE	
CC=C(CC)[C@@H](CCC1=CCCCC1)NCCC	2317907212	OKONPXPXYACBKR-QGZVFWFLSA-N	249.442	4.992	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H]1CC(C)(C)[C@H]1C	2318259876	VKDJEJHBGNFZJS-SWLSCSKDSA-N	244.378	4.504	0	10	BJAE	
CCCCCCc1cc(C)ccc1CNCCC	2318364549	NJAJWYWDCIDLMS-UHFFFAOYSA-N	247.426	4.617	0	10	BJAE	
CC1(C)C[C@](C)(C=CCCC2=CCCCC2)CN1	2318549842	ANKDRVIEVGLRPC-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNC[C@H]1CCC=CCCC1	2318761178	YBIGJIQPVBPLLG-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@@H]1CCC=CCCC1	2318936662	QWEMZNHUYAFXHX-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CCC3(CCCC3)C2)N[C@@H]1C	2319034879	QPWSPTVBIIVFBD-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CC[C@@H]2C2CC2)CCCCC1	2319491811	KEGGAIHKCLOULO-GOEBONIOSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@](CNC2CCC2)(CC(C)C)CC1	2320394701	AJDSJYWTFSGHNB-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC1(CNC[C@@H]2CCC(C)=C(C)C2)CCCC1	2320414180	WXBPSCCNNHTZIH-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@](N)(CC2CC2)C2CC2)C1	2321601887	BVZCWDDYIZLDHA-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)c1cc(C)cc(C)c1	2328194816	ZHBPKGPOUAHZBW-NVXWUHKLSA-N	248.410	4.727	0	10	BJAE	
CC(C)CC[C@@H](C)NC(CC(C)C)CC(C)C	21506665	YFDSVZZPUAKSFW-OAHLLOKOSA-N	241.463	4.862	0	10	BJAE	
CCC(=O)c1ccc(-c2cccc(CC)c2)s1	34974668	RDMLMEJJAPEHNA-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CC(C)CCC(=O)c1csc2ccccc12	34977074	DJMPFZINKPEPQF-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
Fc1cc(Cl)ccc1NC1CCCCCC1	37056341	QHEREOHCDNIWQG-UHFFFAOYSA-N	241.737	4.614	0	10	BJAE	
CC[C@@H](Nc1cccc(Cl)c1Cl)C(C)C	37243597	LAVCIJXXEVPLCV-SNVBAGLBSA-N	246.181	4.840	0	10	BJAE	
CC(C)CC[C@H]1C[C@@H](c2ccccc2)CCC1=O	44468981	CIAKSJKHEWEKQB-HOTGVXAUSA-N	244.378	4.576	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@H](CC)C1)C(C)(C)C	71155805	GFYIFFIHSYIHPV-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc([C@@H](C)NC[C@H](C)C(C)C)cc1	81047322	UHAHQYVCUHGWAK-LSDHHAIUSA-N	247.426	4.582	0	10	BJAE	
CCC[C@H](C)COc1ccccc1C(C)(C)C	85151902	LIDWMCRYYNKUTF-ZDUSSCGKSA-N	234.383	4.799	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(O)CC1CCCC1	87164272	AURHXBJCLZYYQB-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC1CCC(C)(C)CC1	88508589	DCTRJHLGADQAKT-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC1CCC(CNC(C)(C)CC(C)(C)C)CC1	89576047	BGMRFUOQGVPPRL-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](N)[C@H](C)C(C)C)cc1	90482840	XYCNHDGJYAWOJD-CJNGLKHVSA-N	247.426	4.666	0	10	BJAE	
CCCCCC[C@H](NCC)c1cc(C)oc1C	97468734	ZKTMGWXQLYUAGQ-HNNXBMFYSA-N	237.387	4.517	0	10	BJAE	
CC[C@H](C)CC1(CNCC(C)C)CCCCC1	110200928	CEHXPRHCEHINDX-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@H](N[C@@H](C)C1CCCC1)c1ccccc1	112405938	QNWJMISTIREDMR-YOEHRIQHSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CCC1CCCC1	125076911	KFWOMAZALGKART-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
Fc1cccc2c(Cl)cc(C3CCCC3)nc12	133589823	IKAWFJDGYJDTRL-UHFFFAOYSA-N	249.716	4.685	0	10	BJAE	
CC1=CC[C@H]2C(=C1)[C@H](C(C)C)CC[C@H]2C	136873836	JOCWPECWTZZSSX-HZSPNIEDSA-N	204.357	4.581	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cccc2ccccc12	148094197	CLHLEFMOCRRFNO-QGZVFWFLSA-N	242.362	4.700	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1ccc(C)cc1C	211964499	VBVTXDLNONGSCH-MRXNPFEDSA-N	234.383	4.553	0	10	BJAE	
CC(C)CCCCN[C@@H]1CCCC[C@H]1C(C)C	214646259	IKCPEGUVMVZISP-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](O)CCC[C@H](C)C1CCCCC1	223450534	DKZZZCWJFHQCOP-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@H](O)C2CCCCCCC2)C1	227041009	FAEGAZUDXIYZDN-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCC[C@@H](C(C)C)C1	230998588	CKOZLORYRJPBNA-ZIAGYGMSSA-N	249.373	4.761	0	10	BJAE	
C1=C[C@@H](Nc2ccc(-c3ccccc3)cc2)CCC1	232576961	NDRHFKSMWNNHIZ-QGZVFWFLSA-N	249.357	4.874	0	10	BJAE	
CCCC[C@H](N[C@@H]1CCC[C@H]1C)c1ccccc1	251282433	FGTGFQRFCGCLIG-OIISXLGYSA-N	245.410	4.696	0	10	BJAE	
CC[C@H](C)c1ccc(-c2nc(C)cs2)cc1	259253829	KJLITDQYFIKXKQ-JTQLQIEISA-N	231.364	4.632	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@H]1CCC[C@@H]1C	300286048	MBCUPBIDYSHURW-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)ccc1NC(C(C)C)C(C)C	304527186	LHCFHBFUWRGUOD-UHFFFAOYSA-N	239.790	4.741	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)c1ccc(C)cc1C	305900015	ANLJILLGCCEWLX-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC(C)C[C@H](C)Oc1ccccc1C(C)(C)C	305983337	AUVIOTOBOGRYBH-ZDUSSCGKSA-N	234.383	4.798	0	10	BJAE	
CSc1ccc2sc(Cl)c(Cl)c2c1	306745710	AVGCQXZMKYFJCN-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CCC1=CCCCC1	308052416	GTSIYFBQJVPREL-HNNXBMFYSA-N	236.399	4.908	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1(C)CCCC1	308058264	SZKAANQFYHDYBW-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@@H](CC)CC(C)C	308095827	MCRJWEMZAZETOA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@H](CC)CC(C)C	308100695	REXOZFSSIVZZCX-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1[nH]c(C)c(C)c1C	308114020	RXDMVIWUXMOQJF-CQSZACIVSA-N	249.398	4.585	0	10	BJAE	
CCCC1([C@H](O)c2csc3ccccc23)CC1	310414734	XOCQQRSJLLEWOV-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@@H]1CCC[C@H](C)C1	313459689	FWOTWECOFVTTNT-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCC[C@]1(CNC(C)(C)C)CCC[C@@H](CC)C1	317951564	IERARZKXGMBJQG-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC(C)C)CC[C@@H](CC)C1	318043636	JJIQOQPGEKPKGY-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](CC)[C@H]1C[C@@H]1C	321043832	FTSYFFIVXVILEV-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC/C=C\c1ccccc1	324353989	ZTCRAQOSAJBYQT-LOSYYMKXSA-N	246.394	4.667	0	10	BJAE	
CCCCCC[C@H](N)C(C1CCC1)C1CCC1	379752640	AZFPWLFWRMAQOG-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)c1cccc(C)c1	380638311	RTHPQDYXMQDGRZ-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
O[C@@H](CCCCC1CCCCC1)c1ccccc1	380664689	BTTYHEWOOGNSKV-KRWDZBQOSA-N	246.394	4.861	0	10	BJAE	
CC(C)CCCCC/C=C\CCNC(C)(C)C	383374412	KKFRAZKVJOOWGP-NTMALXAHSA-N	239.447	4.927	0	10	BJAE	
CCCOc1ccc(N[C@@H](C)CC(C)(C)C)cc1	384705451	FLYFKMFJGXJRPN-ZDUSSCGKSA-N	249.398	4.712	0	10	BJAE	
CCc1ccccc1OCCC1=CCCCC1	385143837	IXVNHHGBCPXYRW-UHFFFAOYSA-N	230.351	4.518	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1cccc(C(F)F)c1	386247321	QMGJOEHANXRIKD-JTQLQIEISA-N	241.325	4.861	0	10	BJAE	
CCC(=O)c1cccc(-c2ccccc2CC)c1	386656981	URCKXZIINRXIEG-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
CC[C@@H](Nc1ccc(C)c(F)c1)C1CCCC1	387581822	NELATCWUWJAPBW-OAHLLOKOSA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)c2cc(C)ccc2C)CC1	392882835	ONTOOXATGIJRDR-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CCC1CC1)NCC	395486620	DBDHGYWAFFSQBS-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CSc1csc2c(F)c(C(F)F)ccc12	396257251	WFRVSCQITXPCQS-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
Cc1c(C(F)(F)F)c(S)cc2sccc12	396312912	XXKVSQYLZLWHNS-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CSc1cc2sccc2c(C(F)F)c1C	396408418	PBUNKXSFJDUMEM-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@@H](Nc1cscc1C)[C@H]1CC1(C)C	397648976	AKVLZFXPNIOIHE-VXGBXAGGSA-N	237.412	4.683	0	10	BJAE	
CC[C@H](N[C@H](C)CCC1CC1)c1ccc(C)cc1	398049154	VIFDALNEKXXSQS-PBHICJAKSA-N	245.410	4.614	0	10	BJAE	
C[C@@H](C[C@H](O)CCC1CCCCC1)C1CCC1	398516880	KOKFZYLGIFGDHG-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1(CN)CCCCCCC1)C1CCC1	398681342	XXMQJWLAVBFUBK-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
CC1CCC(CCCC2CC2)(CNC2CC2)CC1	405971845	VHLJPKJAWNGWDM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCC(C)(C)C2CC2)C1	406079793	WTEQARTUXZJREM-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@@H](O)CCC(C)(C)C2CC2)CCC1	686919580	NIYKDUZXNDPZIJ-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(CNc2cccc(C3CC3)c2)CCC1	687283015	MKTSACQBXWOBCM-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)c1ccc(C)cc1	688404063	GZFHSCQFAMNPTD-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@H](C)C1CC1	688964964	PBYVHTQOADONGS-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)[C@@H]2CC2(C)C)c1	689516902	IXHJYVCPSNXFPV-DOMZBBRYSA-N	245.410	4.658	0	10	BJAE	
CCCCCC[C@H](O)c1cccc(C(C)(C)C)c1	691697843	LZNDSCVBYLCBBF-INIZCTEOSA-N	248.410	4.988	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@@]12CCCC[C@H]1C2	693182708	MOKMAPCERCFGGU-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@H](CCCC=C(C)C)c1ccccc1	697773997	LTMNXDQOURZOLB-QGZVFWFLSA-N	245.410	4.516	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1ccc(C(C)(C)C)cc1	704868934	SDNXPHCQVBPWIT-MRXNPFEDSA-N	245.410	4.730	0	10	BJAE	
CCCc1ccccc1O[C@@H]1CCCC[C@H]1C	704931546	FTKJLHUZPASIPA-UKRRQHHQSA-N	232.367	4.597	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@]1(C)CC1(C)C	705263426	CUPDCXKFZSSQSY-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H](C)CC(C)C	708268357	AZVQYVSEVJMNCH-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H](C)CC(C)C	708269143	GYGYQOMBXBYAKM-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CCC[C@@H](N)C(C)(C)C)CC(C)(C)C	709190072	RLTMFJBJYXPCQB-CHWSQXEVSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@]12CCCC[C@H]1C2)C1CCC1	709249247	ROLHLTSFPRBCLC-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C[C@@H](C)C(C)(C)C	710753733	NPYVABOHLWLLTH-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC1CCC1)C(C)(C)C(C)(C)C	711184157	OUNLDSHIMPQLDL-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@H](C[C@@H](C)CC(C)(C)C)NC	713684200	NGVFJPXBNKTOSC-SFRZCGLPSA-N	237.431	4.559	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@H](C)C(C)(C)C	713693939	JBJXTZBGWVRHPT-KZZSIXTMSA-N	237.431	4.559	0	10	BJAE	
C=C/C=C\CCc1ccc(C2CCC2)cc1	713753974	TUAMMEYSCASOPU-ARJAWSKDSA-N	212.336	4.629	0	10	BJAE	
CCCN[C@H](CC)CCCCC(C)=C(C)C	718652802	OIAZWMNKOAACNV-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CC[C@](C)(CCCC(C)(F)F)CNC(C)(C)C	718688233	SJRGOJLQOAFRLZ-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H](CCCC(C)(F)F)[C@@H](C)CCC	718723091	RJDWMWGFOHGTQG-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H]3CCC[C@@H]32)cc1C	722082085	UXYSIMOZMNCBHC-BHYGNILZSA-N	243.394	4.548	0	10	BJAE	
C[C@H]1C[C@@H](CC2CC(C)(C)C2)Nc2ccccc21	723545190	YUFWGSGBZNEIKM-JSGCOSHPSA-N	243.394	4.801	0	10	BJAE	
CCC1(CN[C@H](C2CCCCC2)C2CC2)CCC1	723949460	FEVWDSJTVKRBMJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=N)c2cccc3ccccc23)cc1	725410040	FFBGLCREOIBYFK-UHFFFAOYSA-N	245.325	4.564	0	10	BJAE	
Cc1cc(-c2ccc3ccccc3n2)cc(C)c1C	725428188	LOZKPZQWWQADGL-UHFFFAOYSA-N	247.341	4.827	0	10	BJAE	
Fc1ccc(-c2ccc(C3CCCC3)cc2)cn1	1243493568	ZGWUKWAHTAVBFJ-UHFFFAOYSA-N	241.309	4.545	0	10	BJAE	
CCC1CCC(NC[C@H]2CCC=CCCC2)CC1	1560613770	KKNSUGBPAHQDPN-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCCC[C@@H]1C	1900711741	FNSZVFLTBBCUNY-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1cc(C)sc1C	1905399654	YCCDUQZRPVOJLA-TZMCWYRMSA-N	240.412	4.615	0	10	BJAE	
CCC[C@@H](CC)C[C@](N)(CCC)C1CCC1	1905454254	PZVKHQYFEQXQHD-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H]1CC[C@H](CC)C1	1911962315	GPMYPHIXXRTZAZ-BBWFWOEESA-N	249.442	4.703	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1CCCCCCCC[C@@H]1O	1913402692	FXLGOXOKZUFYGW-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CC[C@](O)(c1ccc(C)cc1)[C@@H](C)CCC(C)C	1919892603	IEUHHSWETZNQSZ-DOTOQJQBSA-N	248.410	4.665	0	10	BJAE	
CCCc1ccccc1C(=O)C1CC(CCC)C1	1921297769	LUMUDIONRNMDFT-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H](C)C1CCCC1	1924096265	BTPKZURPJUHQLV-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc([C@H](N)[C@H](C)C2CCCCC2)c1	1924130099	LKHOAZOFDYEHBO-RHSMWYFYSA-N	245.410	4.520	0	10	BJAE	
C1=C[C@H](C[C@@H]2CCc3ccccc3N2)CCCC1	1925927781	OUCADFFVMFNEFV-HOCLYGCPSA-N	241.378	4.550	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H](CCC)C(C)C	1936207011	NOBHZBZRTVGJKE-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC1(C[C@@H](N)CC2CCCCC2)CCCCC1	1940406251	LINZAHYNTIOYMC-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC1(C[C@@H](O)CC(C)(C)C2CC2)CCCCC1	1940415209	MSOCGILTQDPOLU-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](N)CCC1CCCC1	1941267329	QEGHOJDDASDTGQ-CVEARBPZSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CCCCCC1CC1	1941580255	XLERUUTXRRGXDV-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@@](C)(N)c1csc2ccccc12	1945616207	LQKJCSOVZKMWMO-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)c2cccc3sccc23)C1	1945970693	RIRMVRIJMKGMAA-GHMZBOCLSA-N	244.359	4.520	0	10	BJAE	
Cc1cccc(N[C@H]2CCCc3ccsc32)c1	1946348340	UKZPZLGQOCQRRL-AWEZNQCLSA-N	243.375	4.546	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCC[C@@H](F)C1	1946957979	FYNUWZNGZSLZPN-ZIAGYGMSSA-N	242.378	4.690	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@H](C)CC(C)(C)C)CC1	1948428921	OBZBXXBQSNIKJK-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)[C@H]1CCC(C)(C)C1	1949533454	CAIUEADCHBCAKU-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C)CC[C@H](O)CC1CCCCC1	1949926076	IDURGJHXISMHLY-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)CC1(N)CC2(CCC(C)CC2)C1	1950557889	ASNXRIWBWAHQCE-PYEOEOCKSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCCC)[C@@H]1C[C@H]1C	1950750258	FMABYILNUVOYGH-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC(=O)[C@@H]1CCCC(C)(C)CC1	1950917850	HVHRXAXSKUSOND-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CN[C@@H](CC(C)(C)C)[C@H]1CCCC(C)(C)CC1	1950919045	MTJMUZGYDLITPQ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC=C[C@H](C)Cc1cc(CC)ccc1CC	1951306666	QBYXMGXRQLCXPY-AWEZNQCLSA-N	230.395	4.956	0	10	BJAE	
CC(C)C1CC(N[C@@H]2CCCC3(CCCC3)C2)C1	1967855194	HQCZCVIRHVUTOG-HWOWSKLDSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(NCC[C@H]2CCC[C@H](C)C2)c1C	1968250728	SBLKBIHUHNDWCE-XJKSGUPXSA-N	245.410	4.932	0	10	BJAE	
Cc1cc(N[C@H]2CCCC3(CCC3)C2)ccc1F	1968592602	WTRVQYPLFRUVRB-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
CCC[C@@H](C)CN(CCC(C)C)C1CCCC1	1968816307	VQWKVWPCAKXUKN-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCC1CCC(CN(CC)[C@H](C)C(C)C)CC1	1969069939	WODYWEFCSYRVEO-QQFBHYJXSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC(NC2C[C@H]3CCCC[C@@H]3C2)CC1	1969738368	QKFMQPLQTIUZIX-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)NC[C@@H]1CCCCC1(C)C	1970081299	DHTDOTGECUZLRI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1[C@@H](N[C@H]2CCCC3(CCCCC3)C2)C[C@H]1C	1973864293	UQMQIYLSILSDSE-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1csc(C(F)F)c1	1978586117	YAJXNAUVLYSBAW-QMMMGPOBSA-N	246.322	4.551	0	10	BJAE	
CC=CCCCNc1cc(C)c(Cl)cc1C	1984615864	GVQBCDSCPHALFI-UHFFFAOYSA-N	237.774	4.725	0	10	BJAE	
C/C=C/CCCc1ccc(CC2CC2)cc1	1984616149	IRGVGCHSRBCWKX-NSCUHMNNSA-N	214.352	4.538	0	10	BJAE	
CC=C(CC)c1csc([C@H](C)NCCC)c1	1994694413	RILVFPRPILIZIB-NSHDSACASA-N	237.412	4.622	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1c(C)cccc1C	1995630203	DMHWOUDKNMRETB-LSDHHAIUSA-N	231.383	4.684	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@H]1CCCC[C@H]1C	1996590576	WPYRCVDUOXCEQR-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1csc2ccccc12	1996611298	QUDVTPQOZUBRCT-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@]2(C)CCCCC2(C)C)C1	1997429890	SCPUFDRKKMTHKU-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CC1CCC(CC(=O)[C@]2(C)CC=CCC2)CC1	1997607242	SKHMRAVGUCRTQP-ZBCRRDGASA-N	234.383	4.518	0	10	BJAE	
C[C@H](C[C@@H](N)CCC1CCC1)C1CCCCC1	1998030622	SNWFCIFXKFQKRZ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC1(CC2(N)CC(C(C)(C)C)C2)CCCCC1	1998235537	YHYVXBZCVTZENA-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](C)(O)CC1CC(C(C)(C)C)C1	1998258983	QCCWNHPPNCCXRJ-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H](C)C1CC(C)(C)C1	1998649659	JLNCQADNKCYWCB-KBPBESRZSA-N	239.447	4.616	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1CCCC(C)(C)C1	2000104774	GMPKSJHITPGQPD-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCC[C@](C)(CNCC)CC1CCC=CCC1	2000517564	FOQBQZNAGGRHNL-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C[C@@H]1CCC12CCC2	2001849883	BHBDYAWTQIXQDT-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C1CC(CC)C1	2002352010	SDSXABXHRPXITP-ZBCRRDGASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C(CCC)CCC	2002502941	BEXHIOURCLXVIH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)[C@H]1CCC[C@@H](C)C1	2003015269	NNBXUVZQFDCOHU-CTASWTNQSA-N	239.447	4.616	0	10	BJAE	
C[C@H](CC1(N)CCCCCCCC1)C(C)(C)C	2003094577	GADQBAIOOUBZDP-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1NC1CCCCCCCC1	2003095220	MEKRFUZAASBKDR-GDBMZVCRSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@]1(C)C=CCCC1	2003321135	MKHKNXXMJWTIEJ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CNCC(C(C)C)C(C)C	2004711218	HLPWPNDKDWXAKA-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@H]2CC[C@H]21	2004792929	XZBMKWXOOFASOL-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)CC(CC)(CC)C1	2009298309	HQAZTHSOAJLODE-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H]([C@H]2C=CCCCCC2)CC1	2009410659	KVBWMXRWTNUOTI-SOUVJXGZSA-N	234.383	4.518	0	10	BJAE	
C/C=C/CCCC1(N)CCC2(CCCC2)CC1	2009572570	NITWDJCDAOYPID-NSCUHMNNSA-N	235.415	4.565	0	10	BJAE	
Cc1c([C@H](O)CCC(C)C)sc2ccccc12	2014295105	XVMAIKBDKPBGNE-CYBMUJFWSA-N	248.391	4.679	0	10	BJAE	
CC(C)C(CCC1(N)CCC=CCC1)C(C)C	2015360125	ZPBOMQURLAFBKY-UHFFFAOYSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)[C@H](C)NCCC(C(C)C)C(C)C	2015361381	TXIFNZPPYMPRHF-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)CC(=O)[C@H]1CCCC(C)(C)CC1	2015385676	GVUQKHXHEWYBGM-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC(C)C(CCC(=O)C(C)(C)C(C)C)C(C)C	2015386004	AGYPHMXXDYJBKV-UHFFFAOYSA-N	240.431	4.946	0	10	BJAE	
CC(C)C(CC(C)(C)CNC(C)(C)C)C(C)C	2015410982	YDTXNJLRXICNMV-UHFFFAOYSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CC(=O)c2ccccc2C)CCC1	2015597572	HKHLJGXOLPZBHK-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C1(C(C)(C)C)CCC1	2017131250	MZYYXQPBSANFFO-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC1(C(C)(C)C)CCC1	2017139015	QIPZGBVUUDGBPE-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)[C@H](CC1(C(C)(C)C)CCC1)NC	2017141941	STNSSRTYCMGHKC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(O)[C@H](C)CC)CC1	2017651373	SNPZOKQMDWWDFE-KLHDSHLOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)CCC2CC2)CC1	2017775133	XWCBXWBEJUWYAX-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CSc1ccc(N[C@@H]2CC(C)(C)C2(C)C)cc1	2025019427	KPBIMKGNGOMYIG-CYBMUJFWSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@@H]1CCCC[C@@H]1C	2026167321	QJQSCWAPPFZVBN-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CCCC1CCC1	2027519033	YLVOWEKLHYDQEI-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CC1(C)C)CC1=CCCC1	2027830384	IRXWZEWUIMNMKU-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](c1cc(C)cc(C)c1)[C@@H](CC)C(C)C	2028260681	FEBNNNUWNIBDPB-IRXDYDNUSA-N	247.426	4.636	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)c1ccccc1C1CC1	2028595007	CSGUNNCVWTVQSA-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
O[C@@]1(C[C@H]2CC=CCC2)CCCCC12CCCC2	2028873886	IAEXNRLLBQZRKD-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@]1(CC2CCC=CCC2)CCCCCN1	2028899110	XLJAFCYGCRMZND-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)c1ccc(C2CCCC2)cc1	2031746022	JXXITTVFGXOKCI-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)[C@]23CCCC[C@@H]2CCC3)C1	2031761750	VHPSQLNDFURBAQ-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)c1cccc(C2CCC2)c1	2032269400	TVSLPOXPKSINKJ-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
CCC[C@]1(CC2[C@H]3CCCC[C@H]23)CCCCCN1	2032826492	XTXXROXFHMTHGR-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)cc1	2034266877	YQYAFJYAOVARCH-BHYGNILZSA-N	243.394	4.630	0	10	BJAE	
CCCc1ccc(C2(N)CCCCCCC2)cc1	2035545815	BKFBDCUIHPROQO-UHFFFAOYSA-N	245.410	4.537	0	10	BJAE	
C1CCCCC(NC[C@@]23CCC[C@H]2C3)CCCC1	2035893049	XUHRSYSXOWIRMM-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CCC1(C)CC([C@@H](CC2CCC=CCC2)NC)C1	2036486513	FJEHTELBUVFSPK-AQFXKWCLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2CC3(CCC3)C2)C1	2037975450	XRSUBGLCQRPOHO-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)(C)C1)c1ccccc1	2038132534	DJYHKIGZDKRNRG-GDBMZVCRSA-N	245.410	4.554	0	10	BJAE	
CC1CC(CCC2=CCCCC2)(CNC(C)C)C1	2038871498	BDQUNBOYNNLICD-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@H](N[C@@H]2CCCCC23CCCC3)CCCC1	2039030945	ABELOYDNKWUCEO-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
Cc1ccc([C@H](N)[C@H]2CCC[C@@H](C)CC2)cc1C	2039363355	PDSGDPCGAZDGHP-ISTRZQFTSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC(C2CC2)C2CC2)CC1	2039374001	JUTUQGYQXJOAIJ-IUODEOHRSA-N	248.410	4.598	0	10	BJAE	
CC1CCC([C@@H](C)NC[C@H]2C=CCCCC2)CC1	2040630316	LFKQLDWFLPGATP-GMRIPVOYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)C1(C)CC=CC1	2042015610	BTILHHNOXYNBHU-INIZCTEOSA-N	249.442	4.847	0	10	BJAE	
CC(C)(C)C1CC(C[C@@]2(N)CC23CCCCC3)C1	2043006974	LRUGXLWMXCEHPR-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1CCC=CCCC1)C1CC1	2045325828	IQMCWVRILGHSQG-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)NCC1(C[C@H]2CC23CCCC3)CCCC1	2047010878	JIYVVCCOOPGWDX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048443541	PNDYNHYUABYHKE-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCCC1)CC1[C@H]2CCCCC[C@H]12	2048472148	WJSVDGLXBSXQCA-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](NC1CCCCCCCC1)c1ccco1	2049645149	HYYWIBWKFNFVJC-OAHLLOKOSA-N	249.398	4.823	0	10	BJAE	
C1CCCCC(NCC[C@@H]2CC[C@@H]3C[C@@H]23)CCC1	2049668760	CZYSRHVTRAQVOW-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CC(CC3CC3)C2)C1	2050217090	OUMHYAWJSGMINR-SMOPSLFNSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@@H](N)CCC2(C)CCCCC2)cc1	2050428707	GCJUBJSEQXXXMR-INIZCTEOSA-N	245.410	4.745	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC[C@H](C)C1)c1ccco1	2050527529	JVRGNQSWJSGHPP-RRFJBIMHSA-N	249.398	4.537	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@H](C)C2(C)CCC2)c1	2052347856	GLCYQNIXFMGALM-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
CC(C)[C@H](N[C@@H](C)C1(C)CCC1)c1ccccc1	2052348569	LDUMPWBKGCSMLJ-HOCLYGCPSA-N	245.410	4.552	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CCCC2)C1(C)CCC1	2052351141	FECPUMXXNGPOPF-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@H]1C=CCCCC1	2053402288	WQUHDDSTWLNJSY-DOTOQJQBSA-N	249.442	4.668	0	10	BJAE	
CC1(C(=O)CCC2CCCC2)CCC2(CC2)CC1	2056539074	FIHBSGLCRVXXMG-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C1(C)CCC2(CC2)CC1	2056550962	AHIDHLAMBQRVJW-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@](N)(CC1CC(C2CC2)C1)C1CCCC1	2056649740	ABNQPLPTHXTENH-PGEKIEPBSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc(NCC2CC(CC)C2)cc1	2056718778	LCNSQMADOFONCQ-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC[C@H]3C[C@@H]23)C1	2057357582	LWCIGIXVBAOZHG-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCCC(=O)C1CC2(C1)CC1(CCC1)C2	2059195337	GYPHPWHANMJORO-NSCUHMNNSA-N	246.394	4.662	0	10	BJAE	
CC=CCCC[C@@H]1CCCc2ccccc2C1=O	2059202876	DNNNBJAYJHKIRB-OAHLLOKOSA-N	242.362	4.568	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1C[C@@H]2CCC[C@@H]21	2059224780	FSLMKHXQOCCWNK-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(N[C@@H](C)c2ccc(C)cc2C)C1	2059391783	HRFWZDYUNMGSQR-FHERZECASA-N	245.410	4.533	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)[C@@H](C)C1CCCCC1	2060924192	CKJYLUVHRPAHRD-ZQIUZPCESA-N	249.442	4.537	0	10	BJAE	
C[C@H](C1CCC1)[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2061098239	ICNALICDDSJEOO-DAXOMENPSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@H]1CC(C)(C)CC[C@H]1CNCCC	2061563133	LVRGSVRMNHDPKG-HOTGVXAUSA-N	249.442	4.550	0	10	BJAE	
N[C@H](CCC1CC(=C2CC2)C1)CC1CCCCC1	2061737206	OTVWOXUTPUGZFO-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1C[C@@H]2CCC[C@H]2C1	2063519784	IHQPLUQNMGSHPB-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CN[C@H]1CCCC[C@@H](CC23CCC(CC2)CC3)C1	2065340460	WKIJJMHYUZSDSH-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2067530205	ONUSDRGCUKPCBO-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1(CC)CCC1)c1ccccc1	2069279884	CNJVYVQLYOJVQK-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CCCC1(C[C@H](N)C2CC3(C2)CC3(C)C)CCC1	2069343016	VOKQKHHSQZQXJD-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1(CC2CC2)CCC1	2072419805	OXSMLEQXEPIEOF-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](C[C@]12CCCC[C@@H]1C2)C1CCCCCCC1	2074091218	OKIOWARBNRXSAU-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CC=C(C(C)(C)C)CC1	2074896552	QGMCXYJSUQHWQE-ZBFHGGJFSA-N	249.442	4.633	0	10	BJAE	
CC(C)CN(C1CCCCCC1)[C@H]1C=CCCC1	2076544830	APUUSRNWQLOGLS-KRWDZBQOSA-N	249.442	4.776	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC=CCCC1)[C@@H]1C[C@H]1CC	2079221212	AOBYTGUUDPAYAY-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1C[C@H]1C1CCCC1	2079432477	SUHJCMCDWHMIQD-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1NC1CC2(CCCCCC2)C1	2079538076	SFRYAEHCGFDSCF-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1cccc(C2(C)CC2)c1	2079648971	DEQNWGPDMVUVAC-KGLIPLIRSA-N	243.394	4.586	0	10	BJAE	
C1CCCC([C@@H]2C[C@@H]2CC[C@H]2CCCCN2)CC1	2079670846	NYCPNIRKXOVHKX-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC(C)=CC[C@H](N)C[C@H]1C[C@H]1C1CCCCCC1	2081775126	NICFQWVPNINOBG-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H]1C[C@H]1C1CCCC1	2081794201	ZTFBHVDTFFDHHB-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCCC(C)C)c1cc(C)cc(C)c1C	2082919753	SSSUVKIZLVEXED-QGZVFWFLSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H]1CC[C@@H](N(C)[C@H]2CCC3(CCCC3)C2)C1	2085279125	FMGYSBDJMCYQPZ-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H]1CC[C@@H]1CCCCCCC1CC1	2213576711	TYGINHNFLOWTAO-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
C[C@@]1(C(=O)CCCCCCC2CC2)C=CCC1	2213580755	OOILUXZAQBYQSX-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1CCC[C@H](NCCCCCCC2CC2)C1	2213581987	CMIYXRVERRNXRQ-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CCCCCCC1CC1	2213582443	HUHIEABRSIZLQB-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](C)CNCCCCCCC1CC1	2213601778	YWHFVOOZXNJWSO-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)CCCCC1CC1	2214560092	IPIYCIYYKAZKSP-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CCCCC1CC1	2214570816	UYDDGFORYQTBJY-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1CC)CCC(C)(C)C	2215249289	MHOANLHJDNBCGH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C=CCCCCCCC1CC1)CN	2216864946	VYKXWIIDKUTHNU-MRXNPFEDSA-N	237.431	4.524	0	10	BJAE	
CCC[C@@H](C)C1(CN[C@@H](C)CC)CCCCC1	2217152415	DTUFDKMPESJRJI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
N[C@H](CC1CCCC1)CC1C[C@H]2CCC[C@H](C1)C2	2218361381	MWNPNZVTGYACIV-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(C)c1NC1CC(CC2CC2)C1	2218480032	KXIOKSAGBZVJBQ-UHFFFAOYSA-N	243.394	4.548	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CC=Cc1ccccc1	2219067328	SWJNOVPITSIKNE-SJORKVTESA-N	246.394	4.523	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1(C)CC2(CCC2)C1	2220999815	HFPBIZREMRDGNG-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)CC23CCC(CC2)C3)C1	2221036129	UESCODLZFMMQFU-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@]1(N)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222983565	YWHDGWCLLQIUSU-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)NCC1(CC23CCC(CC2)CC3)CC1	2223563155	XLPKGPUWZSNEQI-QQFBHYJXSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1cccc2ccoc12	2224166652	GOFXGAKZBIXBCQ-OAHLLOKOSA-N	245.366	4.649	0	10	BJAE	
CCCC(=O)CCCC[C@H]1CCC[C@@H](C)C1	2242770500	PPXHCIJHVHHWBF-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
CC[C@H](C)CC(=O)CC[C@@H]1CCC[C@@H](C)C1	2242770536	PZXLDIZNYGIKJC-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC1(C)C)C(CC)CC	2247308629	SCYSILUIEUIRGJ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@@H]1CC=CCC1)NCC	2250352251	KLDUTNXEWSKEOY-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)C1CC=CC1	2250477196	VEDVNTUIQKVGPB-HOCLYGCPSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CCC1CC(C)C1	2251773702	WREDDSDCNSNEBS-SHARSMKWSA-N	238.415	4.988	0	10	BJAE	
CC1(C(=O)CC[C@H]2CCCCC23CC3)CC=CC1	2253792427	KJQZHRQCPZKANF-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H]2CNC3(CCCC3)C2)C1	2253972853	RIKVYUKTDIPMHT-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCc1cccc2ccn(C[C@H]3CCC3(C)C)c12	2254971150	BZEMAQWXINSZTF-OAHLLOKOSA-N	241.378	4.640	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@H]1CCC12CCC2	2255024406	LIXGLNKKQRLSBF-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2255028054	VKNNWQOXYAWTNX-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCN(CC1=CCCCC1)C1CCCC1	2255207336	ITPHWAYYAQVRMM-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@H]2CCCC23CC3)C1	2255231722	CJDVFSNISXXFOT-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CCCC23CC3)C1	2255329497	ZXNXLYABUWGWGV-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@@H]1CC12CCC2)C1CCCC1	2256495893	SVQYTWFDUBOPCN-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
CCNCC1(CCCCC[C@@H]2C[C@@H]2C)CC=CC1	2257278871	AKKIXLAJKMXOJL-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(NCCCCC[C@H]2C[C@@H]2C)cc1C	2257297191	BAJCCGGONFGBPY-HOTGVXAUSA-N	245.410	4.932	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN[C@@H]1C=CCCC1(C)C	2257359615	AVCQQGBLQFFRIY-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2	2298597631	MDQGYJIOEHYPDO-RRFJBIMHSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC)CCC(N)([C@H](C)CC2CC2)CC1	2298869697	ZLLOTZTVOPQBPA-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C[C@H](C)CC1CCC1)NCCC	2298942275	KCLGAAKSXDFISA-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@H]1C[C@H]1C(C)(C)C	2300496471	JZYLTRHMTQQSPO-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@H](N)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301023916	QWMBGYVRSBYMJO-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)CCNc1cc(F)ccc1C(C)C	2301921958	UEHSHASQJQRDEZ-LBPRGKRZSA-N	237.362	4.797	0	10	BJAE	
C[C@@H]1[C@@H](Nc2cccc3ccsc23)CC1(C)C	2302083360	OTTJNXHLABJULS-MFKMUULPSA-N	245.391	4.748	0	10	BJAE	
C1=C(CCCC[C@@H]2C[C@H]3CC[C@@H]2O3)CCCC1	2302339819	BLPFAPNXXCFRAP-OAGGEKHMSA-N	234.383	4.615	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H]2CCC(C)(C)C2)C1	2302871824	PLMNIMNHAPTPKK-MOKVOYLWSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H](C)CC(C)C)CC1	2303597030	MCDDDBUOTWWARS-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
CCC(CC)CC(=O)CC[C@@H]1CCC(C)(C)C1	2304438367	CDZSOEKZWTWIKL-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1(C)C(C)(C)C1(C)C	2307894443	MSSPUNBDNFYKBN-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)CN(C)C[C@H]1CC[C@H](C)CC1	2307911780	YBFHLAKSBBTFDN-BZUAXINKSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309184138	ARXUHQVYVMPVOC-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CC=CCCC[C@@H](N)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2310192483	ZYQMXAUABGCOKO-MWDXBVQZSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313349398	XBIYIHAQAOBZIJ-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)N(C)C1CCC2(CCC2)CC1	2313601348	XUDQNBMUDQFQKW-AWEZNQCLSA-N	249.442	4.610	0	10	BJAE	
CCC(CC)CC=C1CCC[C@@H]1[C@H]1CCCCN1	2316251767	KLVBWTLBUDCBPX-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1cccc(C(C)(C)C)c1	2316534864	FDANQMUVJVXOIA-MRXNPFEDSA-N	245.410	4.730	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H]1CCCC12CC2	2316538820	YHEZHMXLYHDAPX-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(=CC=C1CCC[C@@H](CN)C1)CCCC(C)C	2316569648	XLGDYWLDUSNNJD-QGZVFWFLSA-N	249.442	4.834	0	10	BJAE	
Cc1ccc([C@@](C)(N)CC2CCCCCC2)cc1	2316879809	GVEOMSBPIRLGHW-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
C1CCCC(N[C@@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316882481	ZKGGOPBKGHMGKJ-YQQAZPJKSA-N	249.442	4.658	0	10	BJAE	
c1ccc2c(C3[C@H]4CCCCC[C@H]34)ccnc2c1	2317362211	RZPHSJGHDRUNQQ-KBPBESRZSA-N	237.346	4.529	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H](C)[C@H](C)C(C)C)cc1C	2317837592	XYKILPDQVGGTGK-CABCVRRESA-N	246.394	4.723	0	10	BJAE	
N[C@H]1CCCCCC[C@H]1CCCC1=CCCCC1	2318538593	JHLYGNFSXQWXMT-IRXDYDNUSA-N	249.442	4.955	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)C[C@@H]2CCC=CCCC2)C1	2318989040	CCALPKKQPFNMDJ-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@H]2C[C@H]2C(C)(C)C)CC1	2320340032	IRHJFFYKZLQVNC-FPCVCCKLSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@@H]1C[C@@H]1C	2320397659	JVSHGAKTBKSHFX-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@H]2CC[C@H](C)CC2)CC1	2320409921	ZKEKCPINAGEVIF-YYQUZTFQSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCC[C@@H](C2(CN)CC3(CCCCC3)C2)C1	2326700660	YPZBXAIYNQIGDM-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC(C)(C)[C@H]2C)c1F	2327805316	CAYITEFWYAWXNR-FZMZJTMJSA-N	249.373	4.796	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cccc(C2CC2)c1	2328273449	IZTNOEUKGQLKSI-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CN[C@@H](CCC(C)C)c1ccc2ccccc2c1	54440695	SYTWBFKFKHZVCH-KRWDZBQOSA-N	241.378	4.537	0	10	BJAE	
CC(C)c1cccc2nc(CC(C)(C)C)oc12	62530327	RURNOICYYFGKJH-UHFFFAOYSA-N	231.339	4.540	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](CCC)CCC1=O	71083875	FFUPTYJDQVYKOC-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CCC1CCC(O)([C@H]2CCC[C@@H](CC)C2)CC1	71153194	ULYJKGOPYOJMTM-FYRZTWFESA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(-c2ccc(C)c3ccccc23)cc1N	79905355	PKSGZIMVVUJAAJ-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CCCN[C@H]1CCCC[C@H](C2CCCCC2)C1	80415747	JPKAEJKWSZCQOV-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)NCc1c(C)cccc1C	83377775	XTIITDARBFLUJF-INIZCTEOSA-N	247.426	4.752	0	10	BJAE	
C[C@H]1CCC[C@H]1Nc1cccc(Cl)c1Cl	83390101	JRQHGHGACWRAMK-WCBMZHEXSA-N	244.165	4.594	0	10	BJAE	
CCCC[C@H](CC)CC1(N)C[C@@H](C)C[C@@H](C)C1	84469841	IOVLNIKWSMFHQK-QGPPMGRFSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)c1ccc(OCc2cccs2)cc1	85151318	VJUZHJVFUBOPLS-UHFFFAOYSA-N	246.375	4.625	0	10	BJAE	
CCN[C@H](C)c1cc2cccc([C@@H](C)CC)c2o1	88073266	FODNESULRYMDBI-NWDGAFQWSA-N	245.366	4.617	0	10	BJAE	
CC1=C[C@]2(C)CCC[C@]23[C@@H](C)CC[C@@]13C	90373709	SAOJPWFHRMUCFN-MXAVVETBSA-N	204.357	4.559	0	10	BJAE	
C/C=C\[C@@H](C)Cc1ccc(C(C)(C)C)cc1	107537962	APMXRGGJOCDWKG-FMFIFOJESA-N	216.368	4.739	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)c1cc(C)c(C)cc1C	109946515	GAVGQYPWEYQJTR-JKSUJKDBSA-N	247.426	4.841	0	10	BJAE	
CCCCC[C@@H](NCCC)C1(C)CCCC1	125410749	MOSLJBRXBKYOKI-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](CNC(C)(C)C)C1CCCC1	128314890	YGNNLYMAAACLMO-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCc1csc(C2CCCCCCC2)n1	132036207	LOTSCYJUKOCQKA-UHFFFAOYSA-N	223.385	4.533	0	10	BJAE	
CCC[C@@H](C)C(=O)Cc1ccc(C(C)(C)C)cc1	164901107	GZQSLPORQYYGOC-CYBMUJFWSA-N	246.394	4.532	0	10	BJAE	
CCC[C@@](O)(CC(CC)CC)c1ccccc1	167610406	NUWLFELNKLJRQV-MRXNPFEDSA-N	234.383	4.501	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@@H](C)C(C)(C)C)CC1	168763536	BTYRUMXFTLAVAI-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1cccc2c1N[C@H](C(C)(C)C)CS2	214913068	FNSYPPHCIOMONK-ZDUSSCGKSA-N	249.423	4.742	0	10	BJAE	
CCCNC[C@@H]1CC[C@H](CCC)C[C@@H]1CCC	219481499	RKYLLRKZFQKPMV-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)NCC[C@H]1CCC[C@@H](C)C1	226863429	IUNVJOGFKROOBV-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@@H]1CCC[C@@H](C)C1	229456241	KOIASAOTKWQJNX-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
Fc1cc(Cl)cc(NC2CCCCCC2)c1	229990575	OHZSIUPVVAESFD-UHFFFAOYSA-N	241.737	4.614	0	10	BJAE	
CCC1CCC(c2ccc3c(c2)NCCC3)CC1	232925380	RXCOIBPKKOFVEH-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
CCCc1ccc([C@H](CC)C[C@@H]2O[C@@H]2CC)cc1	249726150	UVAIKVZOBTVCFM-OIISXLGYSA-N	246.394	4.700	0	10	BJAE	
NCC1(C[C@H]2C[C@H]3CC[C@H]2C3)CCCCCCC1	250808642	CYQBROILKSFJQV-HRCADAONSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H]1CCCCC1(C)C	251788011	JPVORHNLCPOSGS-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)ccc1C	302278466	INXHAJOSJZWSGH-HACGYAERSA-N	245.410	4.794	0	10	BJAE	
CC(C)C[C@@H](C)CNc1ccccc1C(C)C	305930367	JQCPUUCUCCQSDO-CQSZACIVSA-N	233.399	4.904	0	10	BJAE	
Cc1ccc([C@@](C)(N)C[C@@H](C)CC(C)C)cc1C	306016413	XODRFHKBJZVKQT-GUYCJALGSA-N	247.426	4.550	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)c1coc(C)c1	306019477	YDJGZGHCDMXCMI-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)CCC1CCCCC1	306029573	ZWHROTJQEBJTAV-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
Cc1csc2cc(Cl)c(C(F)F)cc12	306627112	ZHXUJQFXTKXXST-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)c1ccc(CC)cc1	307984554	AMGIXPNBOISNDE-DLBZAZTESA-N	248.410	4.745	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)[C@@H]1CCCC[C@H]1CC	308034245	RLPVMODUTVKTBX-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CCC1CCCC1	308061552	SIRRDGLBTXAKBG-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1C=CCCCCC1	310061048	IFSRINIEHJDZFD-ZDUSSCGKSA-N	249.785	4.949	0	10	BJAE	
CC(C)CC[C@](O)(CCCC(C)(C)C)C1CC1	310169432	PDNBJBJYPHCQFD-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCC[C@H](C)C1)NC(C)C	310415947	NATUGGZIWBKRQL-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H](C)C1CCCCC1	310501778	RHBMZDWVPXWOAU-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc2c(ccn2C2C[C@H](C)C[C@@H](C)C2)c1	310594367	NUOSVTNJEPMILJ-ZIAGYGMSSA-N	241.378	4.947	0	10	BJAE	
CC(C)c1ccc([C@](C)(O)CCC(C)(C)C)cc1	310840442	IZSFZDQNYWKBKZ-QGZVFWFLSA-N	248.410	4.844	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@@H](C)c1ccccc1	310873994	SAIZFEBWLHHDBB-CABCVRRESA-N	247.426	4.595	0	10	BJAE	
CC[C@H](NCC(C)(C)C(C)(C)C)c1ccccc1	311090193	QSRINHPEKCKNJE-HNNXBMFYSA-N	247.426	4.800	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C(CC)CC)C1CCCC1	313411816	PIYIMFMKNPMFQT-XJKSGUPXSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CNC)CCC[C@H]1C	317430501	QFSJOHYLEWNBHU-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC(C)C)CC=CCC1	317618406	TZXIKIWUWIWHFG-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCCC1(CNCC(C)C)CCC(C)CC1	318585401	XTGQBDWSGRNVSH-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](c1cccc(C)c1C)[C@@H](C)[C@H](C)CC	320030337	JLRPZUZCYKZADT-PVUWLOKVSA-N	247.426	4.636	0	10	BJAE	
CCCCC1CCC(N)([C@@H](C)[C@H](C)CC)CC1	320297843	DLMDDDHTEUEIMY-QVOMUQBLSA-N	239.447	4.747	0	10	BJAE	
CCc1cccc(N[C@@H]2CCCC23CCCC3)c1	328078366	GEPNWZJZZSFQJZ-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC)C(C)(C)C(C)(C)C	379943118	YFUMUSMOLXRTQT-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)CC1(C)CCCC1	380009681	KPARYGPDXHNRBH-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CCC1CCCC1	381173521	MNWIWUAIIUBIPH-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC(C)(C)C(C)(C)C)CC1	383934392	CKVZKFVXNHTBCX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)c1ccc(C)c(C)c1	386323324	ISXGCLZBLJQYBI-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCC1(C[C@H](NC)c2cccc(C)c2C)CCC1	386460017	FBVVIIXSTMBERS-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@@H]1CC[C@H](C)C1	386596262	KDRGWTJNLRWWOY-VBQJREDUSA-N	245.410	4.507	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC[C@@H]1C)C1CCCC1	387552152	UOTKKRVZHNGPPB-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CC1(CNC2CCCCCC2)CCCCCC1	394584372	FPTRCWXPPGIFBM-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
C/C(=C\C1(C)CCCCCC1)CNCC(C)C	394671644	OAWRCEQDMWBOGC-RVDMUPIBSA-N	237.431	4.539	0	10	BJAE	
CCc1ccc(F)c2cc(C(F)F)sc12	396193458	GMQAGRZMUASSDY-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
COc1sc2c(Cl)cccc2c1C(F)F	396286907	CCLBQRKFIQJXSA-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
C[C@H](CN[C@@H]1CCCCC12CCCC2)C1CCC1	398937375	ULXJRKOBEQYAKY-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@@H](N)c1coc2ccccc12)C(C)(C)C	404309292	UVBULGIOLUMLNE-BXUZGUMPSA-N	245.366	4.505	0	10	BJAE	
CC(C)c1ccc(-c2ccc([C@H](C)O)cc2)cc1	404771039	PXAAOEIJOIJIKD-ZDUSSCGKSA-N	240.346	4.530	0	10	BJAE	
CC1c2ccccc2C(C2CC2)c2ccccc21	520857699	CFRMVCRNAFAJKP-UHFFFAOYSA-N	234.342	4.694	0	10	BJAE	
CCC(C)(C)CCNc1nccc2sccc12	686312620	GDOWOELDQRQJCL-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCC1CCC(O)(c2cccc(C(C)C)c2)CC1	688938884	MCOQJANKSUPTSW-UHFFFAOYSA-N	246.394	4.598	0	10	BJAE	
CCC[C@H](CC)Nc1cc(Cl)cc(F)c1F	691013501	XYTHRMSFAGYBET-VIFPVBQESA-N	247.716	4.609	0	10	BJAE	
CCCC[C@H](/C=C1\[C@@H]2CCCN[C@H]2C1(C)C)CC	693765130	VJQFGQNHKFOWGX-UBKUNTILSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cc2ccccc2o1	696558727	AGYLUVFUPNUSMQ-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccc2ccccc2c1	701069472	SMYQDZLBTXFXAJ-INIZCTEOSA-N	242.362	4.700	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccc(C)c(Cl)c1	701098736	GOTBEGZTOCGYLC-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CC[C@@](C)(CCCC1CCC1)CNC(C)(C)C	701579279	UKJPTGCXPVVFFI-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)CCCC(C)(C)C	704469915	CISZGUGNDSPXCH-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
C/C=C/[C@H](NCCC)C1CCC(CCC)CC1	704584745	ZFWRYHWCUWGVMB-SZIKRLNESA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@@H]1CCCC[C@H]1C	704813362	AESZYTGCALFNNP-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)CCCC	704843464	LMRJFCFJJNJQLG-ZIAGYGMSSA-N	213.409	4.501	0	10	BJAE	
CC(C)CC(N)(CCC1CCCC1)CC(C)C	704908375	NLHNDZACYRECKD-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H]1CCCC[C@@H]1C	704961835	BFEGSKWDGWSYSI-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](C[C@@H](C)CCNC(C)(C)C)CC(C)(C)C	709076179	GBJDKYFOXJLRNQ-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@@H](CC(C)C)C[C@@H](C)C(C)(C)C	711185158	USQVJOUZWWLLSN-CABCVRRESA-N	241.463	4.721	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]21)C1CCC1	714260543	WMUBWBAQTCOJQW-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CCCCC1CCC(C(=O)c2cc(C)co2)CC1	716111567	COEVZEBWGMHDHF-UHFFFAOYSA-N	248.366	4.767	0	10	BJAE	
CCCN[C@H]1CC(C)(C)CC[C@@H]1CCC(C)C	717460358	BZIKXOGVLRTIAJ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(NCc2cc(C)co2)cc1	718098488	QYHPZVPFGJBDLO-CYBMUJFWSA-N	243.350	4.714	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CCC[C@@H](C(C)C)C1	718691165	LXWJJDYUFRLSHT-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCCCC[C@]1(O)CC1CCCCC1	719275530	XTKYXPJIGQTFDW-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CC(C[C@@]2(O)CCCCCC2(C)C)C1	723584201	ZYMKYCWIOWYLJQ-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CSc1ccc(Cl)cn1)C(C)(C)C	1458898038	FARCJIPVCFFXJU-SECBINFHSA-N	243.803	4.509	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1cc(C)ccc1F	1620889975	RBSBAUKQXRBMEA-UONOGXRCSA-N	247.357	4.538	0	10	BJAE	
CCCCCNC1CCC(CC)(CC)CC1	1655182758	WWUZNDQPJBFYRN-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC(C)=CCc1ccc(Cl)cc1Cl	1888065858	KXFPCCANUFFIBO-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
CCC(CC)CC[C@@H](O)C(C)(C)C(C)(C)C	1900703598	NYRLVNAENMRXAT-CYBMUJFWSA-N	228.420	4.636	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H](C)C1CCCC1	1900706279	YLDDHHOKDQEFHE-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(=CC[C@@](C)(N)C(C)C)CCCC(C)C	1900879252	YADRISVWEOFALL-OAHLLOKOSA-N	225.420	4.523	0	10	BJAE	
Cc1cc(-c2cccc(C(F)(F)F)c2)cs1	1901894114	CZANLJBVAQNVHM-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
CC(C)CCC(=O)CCCC1=CCCCC1	1901964150	ILWBECONXGYVCR-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCc1cscc1NC1CCC(CC)CC1	1902377041	PNICTXIDABBMAL-UHFFFAOYSA-N	237.412	4.691	0	10	BJAE	
CCCCCC(=O)C[C@H]1CCC(C)=C(C)C1	1902847274	FRIGVTORXWBSHT-AWEZNQCLSA-N	222.372	4.662	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCCC1(C)C	1905301321	KKVYZJSEOGBGIL-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCC(C)(C)[C@H]1O	1910197928	FENOYJYCQVLQQJ-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CCC=Cc1ccccc1	1911977118	GXQQYXLVUUTMMZ-INIZCTEOSA-N	245.410	4.634	0	10	BJAE	
CCCC[C@H](NCC)C1CC2(CCCCC2)C1	1912632240	BQPRQSYBGJCJBL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@H](N[C@@H]2CCC3(CCCCC3)C2)CC1	1915866855	RZBLIXLHCAMCJL-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@@H]1CCC(C)(C)C	1916013140	DUMNTNHWXFNEDM-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H]1C(=O)C[C@H](C)C[C@@H]1C	1916078933	JWQMQMLAIFNTFZ-ILXRZTDVSA-N	238.415	4.844	0	10	BJAE	
CCCNC[C@@]1(CC(CC)CC)C=CCCC1	1916561629	BGYLUWWWFOYCPP-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@@](N)(CC)C[C@H](C)CC	1920192305	ZDTAYFRYQGAMHF-KGLIPLIRSA-N	213.409	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@@H](c1ccccc1)C(C)C	1921305925	RQEFNNBFJZYIRF-JKSUJKDBSA-N	248.410	4.613	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](N)CC1CCCCCC1	1921567022	GYEHTNRHKPACTP-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C)C1CCCC1	1924138010	GDUHMZTYWRFROI-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2C=CCCCC2)cc1C	1925760122	HQLRULQSIXRVIY-OAHLLOKOSA-N	242.362	4.623	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@@H]1C=CCCCC1	1925891828	KXJWJSGTVHSSAI-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCNc1ccc(C2CC2)cc1	1926208267	HXTHDHCIDOTQGT-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CCCC(C)(C)C	1936200085	YBLUGFKLGXPQKM-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
CC1(C[C@H](O)CC2CCCCC2)CCCCC1	1940406796	HGIGWBSFSRIGLX-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC(=CC1(C)CCCCC1)c1cccc(N)c1	1940976733	OTDQRTCXURDOQU-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CCCC(C)C)NCC	1941262236	BALWMHGOVSTQMJ-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](N)C[C@@H](C)C(C)(C)C	1941271882	GKXPQCACOAPFHU-KFWWJZLASA-N	241.463	4.704	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)c1sccc1C1CC1	1942503035	FRGXMEVSITTZLX-LLVKDONJSA-N	248.391	4.635	0	10	BJAE	
CCCNCC(CC)(CC)[C@H](C)CCC(C)C	1942654667	CDCLDOPARCUIMQ-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@@](CC)(CNC)[C@H](C)CCC(C)C	1942658150	PFGUIVKTHYLJLZ-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCC[C@@H](C)CNC1CCCCCCCCC1	1947863610	JLQIQIZNNJOUHS-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
C[C@H](CC1CC1)NC1CCCCCCCCC1	1947881576	QDPRLPIMXDFFQP-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1CC(C)(CC)C1	1948407193	LIXKLZTXPWVSED-CIDNJEQPSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](NCC)[C@H]1CCC2(CCCC2)C1	1949454723	ZFNKNDOAPXXGBI-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(CCC(=O)CC1CCCCC1)C(F)F	1949922830	NMOOTIVMTQYOHH-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
C[C@H]1CCC[C@](CN)(CCCC(C)(C)C)CC1	1950931539	XMXDKOYRTFPYAV-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
C[C@@]1(CC[C@@H]2C=CCC2)CCCC1(F)F	1960757930	VBJXMKFYTSJDPP-NEPJUHHUSA-N	214.299	4.558	0	10	BJAE	
C1CCCC(NC2CCC3(CCC3)CC2)CCC1	1967789556	FKZIKJUQONFAIF-UHFFFAOYSA-N	249.442	4.802	0	10	BJAE	
CC[C@@H](NC[C@@H]1CCCC(C)(C)C1)c1ccco1	1970087618	YNPZXFRCFVUFJI-ZIAGYGMSSA-N	249.398	4.537	0	10	BJAE	
CCC[C@@H](N[C@H]1CCC2(CCC2)C1)C1CCCC1	1970932543	LZZSCMUJLGZSHB-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@](N)(CC)C1CCC(C)(C)CC1	1975998307	NEAHSGPLTQOGRN-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CC(C)(CNc2cccc(Cl)c2)C1	1980512763	ZYMIUHJAGZJILS-UHFFFAOYSA-N	237.774	4.578	0	10	BJAE	
CCC(CC)N(CCC(C)C)CCC(C)C	1990821884	XQIFHGJWNZHDPG-UHFFFAOYSA-N	227.436	4.569	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2CCCCC2)CC1	1997116871	NNOLTHIMQGJMHI-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC=CCCC1)C(C)C	1999991786	SBJXBRVACMFUSI-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CCC=CCCC1)NC	1999997218	WHJIAEPBOMCVFQ-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)C(=O)CCC[C@@H]1CC1(C)C	2000215028	MPDKNWCAIRARRW-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCCCCN[C@H](C)C1CCC(CC)CC1	2002923555	HFSRGNPGWHGCFF-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2CCCCCCC[C@@H]2N)C1	2003111183	JOULGONIQMGBCG-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C1(C)CCC(C)(C)CC1	2007686757	BAOLEANDAXKRAI-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC(C)([C@@H](O)CCCC2CC2)CC1	2007698879	VHPWCGXMYOAAHD-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](C=C1CCCCC1)NC	2007936652	GZJHNOUOICMTKH-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H]2CCC(C)(C)CCC2=O)C1	2009405246	WSMNKVLLDMIWRK-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H]1CCC(C)(C)CC[C@@H]1NC	2009405616	ALEVSFCOAYJTNW-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](C)CC[C@@H]1O	2009407266	MCLPIDKNQHYDHO-UGUYLWEFSA-N	240.431	4.780	0	10	BJAE	
CC=CCCC[C@H]1CCCCCC[C@H]1NCC	2009618419	BLOWYLCQRCVXLF-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCCCCC12CC2	2011286162	RFOFELBJAQHWIN-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011949031	YZJPUYJQNHUCBQ-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](N)(CCC[C@@H]1CC1(C)C)CCC(C)C	2013297053	PYSBNXLIIPRJPA-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C1(C)CCCC1)C1CCC1	2014336272	CKDJDNOBVKSHHN-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)C1(C)CCCC1	2015281406	MWRYOEDEFBOHHP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@]1(CC(C(C)C)C(C)C)CCCCCN1	2015289741	DFOHXHSLIJUSMF-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CCCC1(CO)CCCC1)C(C)C	2015347253	OITQWJXYTHIGMP-UHFFFAOYSA-N	240.431	4.638	0	10	BJAE	
CCN[C@@H](CCC(C(C)C)C(C)C)[C@H](C)CC	2015359174	VQBWKDGXKYEVQG-ZBFHGGJFSA-N	241.463	4.719	0	10	BJAE	
CCSc1cccc(N[C@H](C)C2CC=CC2)c1	2016331304	OZFDVCSXEKEDBG-GFCCVEGCSA-N	247.407	4.565	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)CC2(C(C)(C)C)CCC2)C1	2017125699	QTXLGIIAVPAMOS-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)C1(C(C)(C)C)CCC1	2017157942	CQKCFYWPYJUWKN-CYBMUJFWSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)C2CCCCC2)CC1	2017652295	FHKBMLAMZUNDII-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(CO)C(C)C)CC1	2017717317	YOAXZAZAJMRBQV-BZUAXINKSA-N	240.431	4.638	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CC[C@H](CC)CC1)C1CC1	2017728039	GYPMBWRXIFJFQF-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](CC1(CC)CC1)NCC	2018989282	DNFHBFLCDHNLEN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)N(C)[C@H]1C=CCCCCC1	2019121539	JWSVPPAIALLMKO-CVEARBPZSA-N	237.431	4.776	0	10	BJAE	
CCC(CC)CCN(C)C[C@H]1CC[C@H](C)CC1	2019451447	BCDNJOKKFNVMFQ-KOMQPUFPSA-N	239.447	4.571	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CCC1=CCCCC1	2019776242	CKTIHKZIXWKMOW-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H]1CC[C@@H](C)C1	2020536009	QCGBFOBJOZVTPN-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1C[C@@H]1C1CCCCCC1	2022442970	MXZNTVLOSREUFX-HZPDHXFCSA-N	231.383	4.636	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@H]1C[C@H]1C(C)(C)C	2022520359	PZSMJKHPQGCPDJ-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)CCCCC(C)(F)F	2023312209	SIJWWRAJMMJCDX-JSGCOSHPSA-N	248.357	4.533	0	10	BJAE	
CCCCN(C1CCCCCC1)[C@H]1C=CCC1	2023345867	LCIRBUUWNZJXSW-INIZCTEOSA-N	235.415	4.530	0	10	BJAE	
CC1(C)CCC[C@H](C[C@](C)(O)C2(C)CCC2)C1	2024126944	ZGAADSVNYNKCKH-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1CC(C)(C)C1(C)C	2025022157	XUXHFFFQZDXXLK-ZIAGYGMSSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@H](C)C1CCC1	2026166002	GNYCQSHRAVUBEN-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CN[C@@H](CC1(C)CCC1)c1ccccc1C(C)C	2027517915	MACMZRXBFWPGLD-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc([C@H](O)[C@@H](CC(C)C)C(C)C)c(C)c1	2028239996	IVIIKROEAVFKTG-IRXDYDNUSA-N	248.410	4.655	0	10	BJAE	
CCN[C@H](c1cccc(C)c1C)[C@H](CC)C(C)C	2028265378	RWXULLDTFPQKFG-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
C(CCNCC1CCC2(CC1)CC2)CCC1CC1	2028626730	WMNYYMHLLJRETP-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC1(CC(=O)[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)CCC1	2029601345	VDERPWBIQKXJEG-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@H](N)c1cccc2ccccc12	2037124146	BJIRXIYDAIKCHZ-XNJGSVPQSA-N	241.378	4.522	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C1C(C)(C)C1(C)C	2037212062	LFXBIONJQFBRJG-SJCJKPOMSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)([C@H]2CCC3(CCCC3)C2)C1	2037586191	QGXXEGQIEGQVIG-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC1(CN[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCCC1	2038548400	HJYOHILELNOEDX-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CC1)NC1CC2(CCC(C)(C)CC2)C1	2038932350	CHCKFJOXETVXCK-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@H](N[C@H]2CCC3(CCCCC3)C2)CCCC1	2039039172	OZZMBIHJXWARHE-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)C2CCC(C)CC2)c1	2040633988	UHRXYBRTSVRZSO-HRDQMINSSA-N	249.373	4.761	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H]1CC[C@@H]1CC	2043680115	OMTHXZBOXLGMKQ-XJKSGUPXSA-N	245.410	4.720	0	10	BJAE	
CC[C@@](N)(C[C@H]1CCC=CCCC1)C1CCCC1	2045304842	JNJVSPWQTOSAAD-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CC2CC3(CCC3)C2)C1	2045555706	LYROGBSOXWAFJL-DOMZBBRYSA-N	246.394	4.518	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CC2(C)CCCCC2)C1	2045559388	XIFZAZRZHKTBQH-HIFRSBDPSA-N	248.410	4.908	0	10	BJAE	
CCC(CC)CC(=O)c1c(C)oc2ccccc12	2045586068	ZGJRYJXKJOEIIE-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCCC12CCCCC2)C1CC1	2047559952	JOZBXWSANDBMGK-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1C[C@H]1N[C@H]1CCCCC12CCCCC2	2047586062	GVURZYCLJTYPBS-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
NC1(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCCCCC1	2049676588	VHIBFAAOHCBBHG-OAGGEKHMSA-N	249.442	4.645	0	10	BJAE	
CN(C1CCCCCC1)C1C2CCCC1CCC2	2049977390	SHYRPUXEIKQDLK-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H](C)C1)[C@@]1(C)C=CCC1	2049999528	DOZVFUGGZVCMMQ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(CNC2(C3CCCCC3)CC2)C1	2050112014	BFKOIAKFJUREOK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CC(=O)c1cccc(C)c1	2050455696	IJSIKHHBWAZASI-HUUCEWRRSA-N	244.378	4.784	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2CC(C3CC3)C2)C1	2056665826	IVGKUIJGOLIKSL-BLZCZZARSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C[C@@H]1CCC[C@H]2C[C@H]12	2057352550	CTNRAFRWTQPUIR-RZLSGREXSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1c(C)cccc1C	2059248847	BWAWEIYHAVRVIJ-YERXGYGTSA-N	245.410	4.700	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C(C)C)CC1)C1CCC1	2061088120	KPPAURUAEQUBLD-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)C2(CC)CCCC2)CC1	2061149210	BALRUCQSHJXWTA-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@@H](NCC)C1(C)CCCCCCC1	2061561699	UZJGQEDHFQIFSV-MRXNPFEDSA-N	249.442	4.836	0	10	BJAE	
N[C@@H](CC[C@]12CCC[C@@H]1C2)C1CCCCCCC1	2061601990	KZZIFGYPOQIBNJ-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1CC(=C2CC2)C1	2061695859	ISKSVKHSAKXYBN-OAHLLOKOSA-N	248.410	4.908	0	10	BJAE	
C[C@@](N)(C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2063497359	QDNHIHCVWJHCNN-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@H](C)CC2)n1	2066348155	YULZBTVYQBMCMW-UONOGXRCSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)[C@@H]2CCC2(C)C)cc1	2068289287	GFXXTGRCJWYRGQ-DOMZBBRYSA-N	244.378	4.819	0	10	BJAE	
CC(C)C(CC[C@@](C)(N)c1ccccc1)C(C)C	2068952847	PQLCEWGSLKNAHN-QGZVFWFLSA-N	247.426	4.569	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCCCC23CC3)CCC1	2069339265	HETJBHIXYKSOFI-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3C[C@@H]2C3)cc(C2CCC2)c1	2069345732	XVYXHAKLCRYECQ-ISTRZQFTSA-N	241.378	4.555	0	10	BJAE	
CN[C@@H](C1CCCCCC1)C1(CC2CC2)CCC1	2069515143	WQQBLQJDRZZPHV-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CC[C@H]1C1CCC1	2071788568	HPQDQQVATABWPP-DLBZAZTESA-N	241.378	4.555	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2CCC3(CC3)C2)CCC1	2071923069	YRBDLJVTOFODDZ-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](C[C@@H]2C=CCC2)NC)CC1	2072682421	VCZASGFKBVEOPI-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@H]2CCC(C)=C(C)[C@H]2N)CC1	2072807397	VVGLECYPUBCWKI-BHUNQDJPSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@@]12CCCC[C@@H]1C2	2074025793	QNNSZNUVFQQVBW-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC=C1CCN(C[C@H]2CC[C@H](CCC)CC2)C1	2075341975	SPNCVDUZWMFEOI-JCNLHEQBSA-N	249.442	4.635	0	10	BJAE	
Cc1cccc(F)c1C(=O)CC1(C)CCCCC1	2075974094	ADHCSHRJXACWGW-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
C[C@H]1CCCC[C@H]1CNc1ccccc1C1CC1	2077262184	NVFZVPWFUFVFEA-ZFWWWQNUSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CC(CC(=O)[C@H]2C[C@@H]2C2CCCCC2)C1	2079483700	GFVDYAJKTLTEPE-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CC1(CC(=O)[C@H]2C[C@H]2C2CCCC2)CCCCC1	2079487933	SSFYWUNEQRXMEO-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
O[C@]1(C2=CCCCCC2)CCC[C@@H]2CCCC[C@@H]21	2081119947	ZPJYBDXNEMVUQM-XIRDDKMYSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCCC)C1=C[C@H]2CC[C@H]1C2	2081677086	IGKDGGDCZUSAFR-AESZEHBQSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)CC2CCCCC2)c1	2082942777	UZQPOOJDCXBZPG-QGZVFWFLSA-N	246.394	4.616	0	10	BJAE	
CCc1occc1C(=O)C[C@H]1CCCC(C)(C)C1	2082981336	CIDDGHDXKFPTQO-GFCCVEGCSA-N	248.366	4.631	0	10	BJAE	
C[C@@H]1CC=CC[C@]1(CN)C[C@@H]1CCCC(C)(C)C1	2082985795	JCIJVWFUONMRRO-BFYDXBDKSA-N	249.442	4.524	0	10	BJAE	
C(=C/c1ccccc1)\Cc1sccc1C1CC1	2213824611	ITCCIYCDEDDELV-QPJJXVBHSA-N	240.371	4.881	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1(C)CC(C)(C)C1	2215430386	DAAAJHFWVQVXMK-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CC1=CC[C@@](C)(NC[C@H](C)CC(C)(C)C)CC1	2215797088	YQJPUGQPFOWOBD-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@H]2CCCC[C@H]2C)CC1	2215821191	MFNAZQWALMIDQY-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C)C[C@H](N)CCCCCCCC1CC1	2216875966	ARLMPCQCOINIMZ-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)NC[C@@H](CCCC(C)C)CC(C)C	2217124912	LHIFYDIHWIBYOC-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
Cc1ccccc1OC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218329354	AYTPWBBLVKDUEY-ZSHCYNCHSA-N	244.378	4.590	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218331771	FOJLYQLRGHHMBO-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C/C=C/c1ccccc1)C(C)(C)C	2219083404	WHXZQXPUKXEFEE-YHVDPYDOSA-N	245.410	4.504	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)c1ccccc1C(C)(C)C	2220959497	KLTMCMDBBIJUTA-QWHCGFSZSA-N	244.378	4.603	0	10	BJAE	
CC1=CC[C@](C)(CN(C)[C@@H]2CCC[C@@H](C)C2)CC1	2221603725	VVAAHUPPVVOKHW-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CCC1CCC([C@@H](N)[C@]2(C)CC=C(C)CC2)CC1	2221631133	LZIQXCYZLSVBHH-BHUNQDJPSA-N	249.442	4.667	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2C[C@H]2C2CCC2)CC1	2221642522	GLWUFLVHJXLPSC-ZOBUZTSGSA-N	246.394	4.518	0	10	BJAE	
CC1=CC[C@H](CN[C@@H]2C[C@H](C)CC(C)(C)C2)CC1	2221665882	GNJTYKVJDFKHHA-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)c2ccc(C3CCC3)cc2)CCC1	2223701416	JYELFKYHCSMENK-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1csc(C)c1C	2242612743	OVJDXUFRTITKPJ-LBPRGKRZSA-N	238.396	4.764	0	10	BJAE	
C1=C(Cc2ccc(C3CC3)cc2)CCCC1	2243244991	HBMWQBVBRVLBOT-UHFFFAOYSA-N	212.336	4.607	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2(C)CC(C)C2)C1	2246524049	KOMISYWSVBPOSM-IQXANGCESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CCC[C@@H]1CCCCC12CC2	2246608271	YKIJJPWLIPRIAN-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)CC[C@H]1CCC[C@@H](C)C1	2246662019	DAEYTUWHYTXBGC-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H]2CCCCC(=O)C2)C1	2246664884	QLERHWPEMQQQNM-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)CCNCC[C@H]1CCC[C@@H](C)C1	2246695770	VIIUZSCXKJXYSF-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCCC[C@H]2C[C@H]2C)CC1	2247130016	RXRRKDVJKMDURB-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C(N[C@@H]1C=CCCCC1)C(C)(C)C	2247753806	CRXZUYZBHYHQLH-CYBMUJFWSA-N	237.431	4.536	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC[C@H]2C)cc(C)c1C	2249488181	LOHAIHBJDXBSPK-BDJLRTHQSA-N	231.383	4.602	0	10	BJAE	
CCCN[C@@H]([C@@H](C)[C@@H](C)CC)[C@H](CC)CCC	2250361676	OVYVVCOOJNFTGW-JONQDZQNSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)[C@H](N)CC[C@@H](C)CCCC(C)C	2250523985	NESQPDGLXKIJJA-HRCADAONSA-N	241.463	4.993	0	10	BJAE	
CCCN[C@H](CCC)c1ccc2ccsc2c1	2253056526	IKDSBWDLEFUGPY-CQSZACIVSA-N	247.407	4.742	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](CC[C@H]2CCC[C@@H](C)C2)CC1	2253993910	BCPXHNKMJVHBMK-VZEFYGNVSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CCCC[C@H]2C[C@@H]2C)c1	2254610081	NWRLYAOPBILMLE-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC12CCC2)C1(C)CCC1	2254824362	GKOSMKHXSPCERP-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H]1C[C@H]1CC(C)C	2255136954	PMJJOKQCDUFEIP-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)Cc1coc2c3c(ccc12)CCCC3	2257502355	PKKADSYDOCNMQN-GFCCVEGCSA-N	242.362	4.900	0	10	BJAE	
FC1CCC(Nc2cccc3ccccc23)CC1	2259216026	AASWZIACRPUXCO-UHFFFAOYSA-N	243.325	4.532	0	10	BJAE	
CCC[C@@](N)(CC1CC2(CC(C)C2)C1)C1CCC1	2259567176	SLZWDBQWQNUAMX-UJCFSERGSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H](C1CC1)C(C)(C)C	2298838708	IPNVHBOVTUSHPE-DZGCQCFKSA-N	239.447	4.616	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@@H](C)CC1CCC1	2298846620	CGQUGFZIPCXRTC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](O)C(CC1CC1)CC1CC1	2298922909	MXCADKCSULMQRQ-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H]1CC(=O)CC2(CCC2)C1	2300679659	VSPBATIAEDFVCE-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CCC1(N)CC(CC(C)(C)C)C1	2300707238	ZDWXBUZYCJRSLD-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)CC1CCCCCC1	2301209907	GFBMIKPZZCXNTM-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@]1(N)CCCC(C)(C)CC1	2301844056	NNUKPKQJIBYJQL-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C1(O)CCCCCCCC1	2301858621	ILGJFBUWYCCDTQ-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
Nc1ccccc1SCCCC1=CCCCC1	2302328793	MMUYZJULFOOGRP-UHFFFAOYSA-N	247.407	4.642	0	10	BJAE	
CC1CCC(CC(=O)CCC[C@@H]2C[C@H]2C)CC1	2302609232	DNPZSLCKAUBOOK-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2(C)CCCCC2)C1	2302754064	UXLFWCHLLZGGKO-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCc1cscc1N[C@@H](C)c1cc(C)oc1C	2302885566	BLDFOOPXGKSPKL-JTQLQIEISA-N	249.379	4.693	0	10	BJAE	
CCCCCCN(C)C[C@H]1CC[C@H]1C(C)(C)C	2303479862	DVLDDLRWVWLKLM-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
C1=C[C@@H](CCc2cccc(C3CCC3)c2)CC1	2303762949	BYRLLQWHOYDCCP-CQSZACIVSA-N	226.363	4.853	0	10	BJAE	
CCC[C@](O)(CC[C@@H]1CCC(C)(C)C1)C1CC1	2304352851	WCNNQBYKMGWBLW-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](O)CC[C@@H]1CCC(C)(C)C1	2304361613	WUQDQFXXWIEWDT-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC1CC(C)(C(=O)CC[C@@H]2CCC(C)(C)C2)C1	2304418770	SXCKZPGUGQIGLC-MFOWVQHXSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CC1(CO)CCC(C)(C)CC1	2307879752	SQHDSDVTHCOVIQ-AWEZNQCLSA-N	240.431	4.782	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1CCCCCCC1	2307895365	PTHBYROBJFDOAL-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)C1(CCC)CCC1	2307907439	LOZQVAGLYGSALW-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2310378756	JKPOXKKABIFPGE-JYYAWHABSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@H]2CC[C@@H]3C[C@@H]32)CC1	2310910525	CVDVPTHSUFYUDK-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
N[C@H]1C[C@@H]2C[C@H]1C[C@H]2CCCCCCCC1CC1	2312600574	BZBIVKGYZIHTKM-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(N)C[C@H]2C=C[C@@H]1C2	2313232460	CINJZJBGPUVNSA-MWDXBVQZSA-N	249.442	4.523	0	10	BJAE	
C[C@H](C[C@H]1CCCCN1)C[C@@]12CCCC[C@@H]1CC2	2313344379	RKHOHUTWTGFBOU-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CC[C@H](NC)c1ccc(C2CC2)cc1	2316510631	WDOGOHGSFYHTEB-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC[C@H](C)CC(=O)CC(C)(C)Cc1ccccc1	2317287992	FTYUFYZCEVOWHV-AWEZNQCLSA-N	246.394	4.651	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@H]1C1CC1	2317933758	JVGMZRRZHRJVKL-LSDHHAIUSA-N	247.357	4.550	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)c1ccc([C@H]2C[C@H]2C)o1	2317992515	YMRMFSXPLFDFMD-VOAKCMCISA-N	248.366	4.514	0	10	BJAE	
CCCNCC1(C[C@@H]2CCC(C)(C)C2)CC=CC1	2319065750	NXONKFHOROGDTR-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)(C)C1)[C@]1(C)C=CCC1	2319124878	XRSRMDXTPRUTSN-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1cc(F)ccc1C1CC1	2319173268	HGFPPNLXKKKHEZ-LLVKDONJSA-N	248.341	4.568	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)(C)C1)[C@]1(C)CC=CCC1	2319326061	LFZCZJRAIJOSGS-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
C[C@]1(C(=O)CC[C@@H]2CC[C@@H]2C2CC2)CC=CCC1	2319742162	UTTZQLLXZDWEND-UXLLHSPISA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H]1CC[C@H]1C(C)(C)C	2320103504	JNTCAKJMAFBVDA-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H]2CC[C@H]2C(C)(C)C)c1	2320217112	INEOTFWKYKFXHK-HUUCEWRRSA-N	244.378	4.558	0	10	BJAE	
CC1=C(C)C[C@H](CC2(N)C[C@@H](C)C[C@H](C)C2)CC1	2320329771	VDWVRKFMQRPMJM-HEHGZKQESA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H]2CCC3(CC3)C2)CC1	2320410925	HFFKEERLYIUBAM-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc(C(C)C)c([C@]2(O)CCC[C@@H](C)C2)c1	2327707566	IGMCSOSUSJRPRK-PBHICJAKSA-N	246.394	4.516	0	10	BJAE	
CCC[C@H](CC)C[C@@](CC)(CO)c1ccccc1	2328213974	SYBCZNPXRYQBJZ-RDJZCZTQSA-N	248.410	4.543	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)c1C	20556386	QDJRIFQEPJPQPA-DOMZBBRYSA-N	245.410	4.930	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@@H](C)c1cccc(C)c1	37294647	YLLFMNIPIBGBGI-ZOBUZTSGSA-N	245.410	4.614	0	10	BJAE	
CCC/C=C(/CCCC)c1ccccc1N	38435640	SZPGDRBFHCSHHV-LCYFTJDESA-N	217.356	4.643	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(N)CCC(C)(C)CC2)C1	79657632	YXSKWYXGIBQEOS-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](N[C@H]1CC[C@H](CC)C1)c1ccccc1	83828926	UHXNCRAFHHPPBN-XIRDDKMYSA-N	245.410	4.696	0	10	BJAE	
Cc1cc(C)cc(O[C@@H]2CC[C@@H](C)[C@H](C)C2)c1	87439679	GMPAIFPVJFLLCZ-RBSFLKMASA-N	232.367	4.507	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1sccc1Cl	87620827	DVAADVKKSATTKW-SECBINFHSA-N	244.787	4.801	0	10	BJAE	
CCCC1CCC([C@H](C[C@@H](C)CC)NC)CC1	87963315	FHGIGIHTWZOJPG-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)c1ccccc1C	103935315	HZARSVKJEBYHBA-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C(C)(C)CC)cc1	104005913	PGBAWMSVGHFLBE-LBPRGKRZSA-N	232.367	4.819	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@H](C)C[C@@H]1O[C@H]1C	107600238	WKWMUNSPWYSHMH-WWGRRREGSA-N	246.394	4.573	0	10	BJAE	
CCCC(CCC)NCC1CCC(CC)CC1	109918475	UXWAVMLXQMJSCZ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1C[C@H](C)CC(C)(C)C1	111666092	WXSADFVJHQLBOU-KCQAQPDRSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](C)CC[C@@H]1CN	131991638	STIXOPYIBGEAOE-QXSJWSMHSA-N	239.447	4.604	0	10	BJAE	
O=C(CCc1ccccc1)CCC1CCCCC1	141990440	QFEUSOUXVJUCLJ-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cc(C)c(C)cc1Cl	164271079	SQILOOBPOYUUDR-SECBINFHSA-N	238.758	4.576	0	10	BJAE	
CCCN[C@@H](CC1CC1)C[C@@H](C)CC(C)(C)C	167661461	BYIFIEFUZFIYFE-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CC2CCCCC2)C1	203570129	PRIXHVQALQAIQT-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC/C(=C2/CCc3cc(N)ccc32)C1	211462949	SPNUJQTXEBFHGZ-SIOXIVGBSA-N	241.378	4.569	0	10	BJAE	
Clc1cccc(-c2ccnc3ccccc23)c1	218840756	GDFVXYVFWVHNCF-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@H](C)[C@@H](C)C2)c(C)c1	220562099	YLPIEAPVABRACJ-YDHLFZDLSA-N	231.383	4.540	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H]1CCCCC1(C)C	226819033	NTTFTZPKXCIJKC-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCC12CCCCC2	230170971	SKBIVEZVFZGDAQ-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H]1CNc2c(Cl)cc(Cl)cc21	232633871	FQJUCZMMTQRPNJ-QMMMGPOBSA-N	244.165	4.549	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H]2C)CC1	251267293	CMXHKRUEXITLNJ-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	253049506	SRUSDQYILQLDOY-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(c2cccc(C(C)(C)N)c2)CC1	258212111	AGAGSRWVINIOPG-UHFFFAOYSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@H]1CCC[C@@H]1C	302281330	JEOXBSXPOVVIMO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)Oc1ccccc1C(C)C	304424453	KBTWXIMILYLZFM-CYBMUJFWSA-N	220.356	4.623	0	10	BJAE	
CCC1CCC(CN)(C[C@H](C)CC(C)C)CC1	305899905	AEELPLBVBQRJJF-QQFBHYJXSA-N	239.447	4.604	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1F	305966819	JUFCJHMUYVHACV-DGCLKSJQSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@@H](CCC)Nc1cc(C)c(C)cc1N	306018281	JELXWLCAJRYDBH-CQSZACIVSA-N	248.414	4.656	0	10	BJAE	
CSc1c(Cl)sc2cccc(S)c12	307485115	BPDVEHTYIACXQO-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
C[C@@H](SCCCF)c1ccc(Cl)s1	308317040	WDOIRETWJJHCKC-SSDOTTSWSA-N	238.780	4.555	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)CCC(C)(C)C)c1	310139314	AERZVEJAHUZGSO-AWEZNQCLSA-N	233.399	4.930	0	10	BJAE	
CCC1CCC([C@H](N)CC2(C)CCCC2)CC1	310157399	OVEABBNMBKIGKS-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)C(C(C)C)C(C)C	310884310	VUOZLZNLKNECQJ-QGZVFWFLSA-N	247.426	4.574	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@H]1CCC[C@@H](C)C1	310971721	RLNKLKNCYYRTCJ-KEYYUXOJSA-N	246.394	4.670	0	10	BJAE	
O=C1CCCC[C@H](CC/C=C/c2ccccc2)C1	324122605	INIYZHWDADDTSU-WJXUGBSRSA-N	242.362	4.629	0	10	BJAE	
CC(C)NCC[C@@H](C)CC/C=C\c1ccccc1	324216896	YICDBIKXCUDSPC-LJEUOOAZSA-N	245.410	4.504	0	10	BJAE	
CCCNC[C@@H](C)[C@H](C)CCCCCC(C)C	383125406	CESQTEKKRTYTBT-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CC2(C)CCCC2)CC1	383176807	OVEABBNMBKIGKS-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCc1ccccc1[C@H](O)C[C@@H](C)C(C)(C)C	384504709	QQCSHQLSDNYHEC-CZUORRHYSA-N	248.410	4.745	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1CCc2ccccc2C1=O	384551103	WEUBGUXYZPJMJV-DZGCQCFKSA-N	244.378	4.504	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1snc2ccccc12	384663044	OXLFTVJTMFOLSM-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@H](C)CC(C)(C)C	385196276	QJDNQQZNSADWED-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
C[C@H]1C[C@H](CCC2CCCC2)c2ccccc2N1	385317780	HPIRQLZJCXBEIE-ZFWWWQNUSA-N	243.394	4.945	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H](CCC(C)C)C1CC1	385367700	AJPROTHRJPOGBG-HNNXBMFYSA-N	249.373	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC23CCCC3)CC1	386905067	MMGKRLBKGPYQLX-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H]1C[C@@H]1CC(C)C	388220707	PIIWOMIYVWNNQM-HOCLYGCPSA-N	244.378	4.504	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C1(C)CCCCCC1	394549564	ALTAZKDNNNDSQL-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(NCC2(C)CCCCC2)c(F)c1	394569904	QWYSJIGEOQSCSR-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCc1sc2cccc(CC)c2c1C(F)F	396229686	UZRNNXZRMPKXLM-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCOc1cc(C)cc2c(C(F)F)csc12	396232940	AXGYEBJVQPETSB-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1cc2cc(C)cc(C(F)F)c2s1	396407941	OJFBXZZIYREWKW-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@@H]([C@@H](N)c1cccc2ccccc12)C(C)(C)C	399070545	BLYSKNXNHCIZCY-BLLLJJGKSA-N	241.378	4.522	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC=CCC1)C(CC)CC	402200427	DUNFVRYRIQPUCZ-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCCC1CC1)CC1CCCCC1	405717876	GWJPFWFKUJQRLG-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC(C)(C)C1CC1	405791718	QXMGTJYWFVUKHA-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)CC1CCCCC1	689722885	YLHTVJNRVPEIKO-GFCCVEGCSA-N	249.373	4.905	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H]1CC2CCC1CC2	691749411	JILITQCVAXAXIC-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@@](CNC(C)(C)C)(CC2CC=CC2)C1	692074002	NRKWVSPIAUEALQ-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(NC[C@]23CCCC[C@H]2C3)CC1	693549335	QITOVPROZVTRIH-ODZFXCKXSA-N	249.442	4.515	0	10	BJAE	
CC1(CNC[C@]23CCCC[C@H]2C3)CCCCCC1	693552219	XVZREGBOXGTPLU-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC2CCC3(CC2)CC3)C1	695685413	XOUQGAPBPNCQPV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1CCCC2(CC2)C1	695721265	BLUXFCSNRZRQGA-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCC[C@@H]2C2CC2)C1	696111767	RJKUVWHHUDBZDX-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CCC)NCCC(C)(C)CC	696731377	AQXSLEZCAYFOAE-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccccc1C1CCC1	697196318	ZROWHKOHBNWPHW-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@]1(C)CC1(C)C	702169725	DBAALMBKDITVPR-WBVHZDCISA-N	245.410	4.507	0	10	BJAE	
CCC[C@](N)(C1C[C@H](C)C[C@@H](C)C1)C(C)(C)C	704917534	ZMYZETUCMNJWGP-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CCC23CCCCC3)C1	705267078	PSSAASGBZFJXEB-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@H]1CCCC2(CC2)C1	710135748	NBIWNZXKKDOMNR-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)c1	710791724	WKYYNKRZPWUMSA-GUYCJALGSA-N	244.378	4.640	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)C[C@@H]2CC23CC3)CC1	722833416	NUAOAQCQSGZGOG-JXQTWKCFSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C2CCCC2)C2CC2)C1	723960022	MFJKGQAFSKVYEO-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCCC3(CC3)C2)CC1	1660083090	SNWGCGJHWAEOKW-PCKAHOCUSA-N	249.442	4.658	0	10	BJAE	
CCCc1ccc([C@@H](O)[C@H](CC)CCC)s1	1900675281	FGKKVYMLAJWKDZ-RISCZKNCSA-N	240.412	4.560	0	10	BJAE	
CC=CCCCc1cccc(C)c1Cl	1902965024	UVONHQFWMJJLGM-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
Cc1sccc1OCC1(C(C)(C)C)CCC1	1904924888	IUFXSYPJKLXSLN-UHFFFAOYSA-N	238.396	4.652	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)C(C)(C)CCC	1905355078	WDDIROKNYNKOSI-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)COc1cc(C)cc(Cl)c1	1905443259	HDEZEZPPOVUCSP-GFCCVEGCSA-N	240.774	4.854	0	10	BJAE	
CC(C)NCC(=C[C@H]1CC1(C)C)C1CCCCC1	1911792782	LYBUYQSGVDDOCS-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H]1[C@H]2CCCC[C@H]21	1919996468	VAZMQROTQWVACN-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)[C@@H](C)C1CCCCC1	1924101389	RMHCYXGQOYFEMW-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C=C1[C@@H](CN)CCC12CCC2)CC(C)(C)C	1924938415	CYDDBWIPAMNVFL-UONOGXRCSA-N	249.442	4.524	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)C1CC(CC)C1	1925772220	HKPZAWZEOGMBTD-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CNC[C@@]1(C[C@H]2C=CCCCC2)CCCC1(C)C	1925781529	UILXZZVRPDKDKJ-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
Clc1cscc1C[C@@H]1C=CCCCC1	1925869077	FPVOPNKCLLIPOZ-SNVBAGLBSA-N	226.772	4.690	0	10	BJAE	
C1=C[C@H](CCCCOCc2ccccc2)CCC1	1932596882	XOKHOCAYMOFQLW-INIZCTEOSA-N	244.378	4.730	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2C=CCCCC2)C1	1934208448	CBGBRUWPUVEEAY-KBPBESRZSA-N	206.373	4.949	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CC2(C)CCCCC2)[C@@H]1C	1940405977	DVDPZCAIBDCZTN-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC1(CC[C@H](O)c2csc3ccccc23)CC1	1940790648	PTBBLOKQVOTBFR-ZDUSSCGKSA-N	246.375	4.515	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C[C@@H](C)C(C)(C)C	1940864580	QHQGJHXXAIGMAV-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@H](CC)C(C)C	1941267864	XXRTUWYVCMFWAS-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@]1(C[C@@H]2CCC[C@H]2C)CCCCCN1	1944838695	YZFOQUZRTYQNMD-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCC(=O)C12CCC(CC1)C2(C)C	1945633257	BKLCCIRBCNFZHJ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H](F)[C@H](CN)CC(C)C	1945832609	VZFBUJLWFZTUAN-LSDHHAIUSA-N	245.426	4.552	0	10	BJAE	
CC(C)CC[C@](C)(N)c1cccc2sccc12	1945954994	BXNMHYQKOIFWNV-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCCCC1(F)F	1947291193	ANKVGPHXJBQYDZ-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCCCC[C@H]1CCC(C)(C)[C@H](NCCC)C1	1949654057	PWDUVIZZQSNJCS-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](C)NC1CC(CC)(CC)C1	1963222374	GQPFKXHJHRSLOA-CQSZACIVSA-N	239.447	4.904	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NC[C@@]2(C)C=CCCC2)C1	1966038871	YUIDRMLZQNIVFC-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(NC[C@@]2(C)C=CCCC2)CC1	1967837152	NAPSPYNECPHHIG-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1Nc1cccc(Cl)c1	1968259034	FKDPRGIYVKSORU-SMDDNHRTSA-N	237.774	4.577	0	10	BJAE	
Cc1ccc(NC(CC2CC2)CC2CC2)cc1F	1968320462	MSNWGGFGXRQREA-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
C[C@H]1CCCCCCN1CCC1CCCCC1	1970729813	KJXRRXHLVGOUGC-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CC1(C)CC(CNc2ccccc2C2(C)CC2)C1	1973418283	FZYBRUFNLKOVDI-UHFFFAOYSA-N	243.394	4.586	0	10	BJAE	
CCC1(C)CC(Nc2cc(Cl)ccc2C)C1	1984402970	FSMBRTZCZYHWGW-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
C/C=C/CCCNc1cc(C)c(Cl)c(C)c1	1984614901	AHVXUBAIZGTXGT-SNAWJCMRSA-N	237.774	4.725	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)c1ccsc1	1984640431	RKNVHCUAXUDBCQ-KQIUPUNMSA-N	237.412	4.535	0	10	BJAE	
CCC(C)(C)C(=O)CCC(C(C)C)C(C)C	1988304069	AUJWNTBZMXAVLW-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
Cc1cc(C(=O)C2(C)CCCCC2)sc1C	1989972134	CJLRHNJZKFRFGV-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H](CC)CCCC	1992049834	RKVSNTTVRUJOMV-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C(CC)(CC)CC	1993070654	WRMMCBULPJSUBO-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CCCC(C)C	1995254298	QFHHQKQAOISSMR-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1ccc(C)s1	1995254558	TXWKCLRMRMYSPV-YPMHNXCESA-N	240.412	4.696	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)[C@H]2CCCCC2(C)C)C1	1996238075	OKHQATBEMSXXSU-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNCCC(C)(C)C)CC1	1997100117	LVUGCZFBIFXICL-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC)C1CC(C)(C)C(C)(C)C1	1997766590	CDNWVXLXIUMVNI-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@H]1CC(C)C	1998749276	PCPYLLXQHLXPDE-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@](C)(CC=C(C)C)CNC(C)(C)C	2000518438	OGEIOGXZPUMVST-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCC1(CC)CCN(CCC(C)=C(C)C)CC1	2000907068	MPPAHVPSCWDKRI-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CC(C)CC[C@@]1(O)CCCCC12CCCCC2	2001603089	LLCRNENAINLWAM-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)C[C@](C)(N)[C@H]1CCCC(C)(C)C1	2003019882	YBWAFICTXLOXQT-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC[C@@H](C(C)(C)C)NC1	2003924975	HPACYVFUDFTLKA-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC=C(C)C)NCCC	2004228928	DPDWMRXGDBRBIY-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@@H]1C(=O)C1(C)CCCCCCC1	2004936535	ASGLXXDLBDXNTA-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@]1(CNC(C)(C)C)CCCC12CC2	2005561534	PMVBKEAOWYDKMX-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1C=CCCC1(C)C	2006895205	QJHFKYKWGZJEMO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCCc1ccc(C(F)(F)F)cc1	2009592767	NSUZKBBCHOXXJA-NSCUHMNNSA-N	242.284	4.994	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H](CC)C(C)C	2009616279	HPIOPGXZRBTKNN-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1N	2009631083	ZYLNMXNLSSYCJT-IXSFSPNOSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@H]1C1(C)CCCCC1	2009766726	AXASLAPJCZUXID-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)C1=CCC(C)(C)CC1	2010712307	HYULCTBIXQWVKS-CJNGLKHVSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)c1cccs1	2010722766	WEQVWWHMPNSASN-AWEZNQCLSA-N	249.423	4.535	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@@H]1CC[C@@H](C)C1	2011958013	FXVKCSNSQDZDNE-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@](CC)(CNC(C)C)C(C)C	2012424825	GYIFIFAEBLYARG-JYJNAYRXSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC12CCC(CC1)CC2	2012825476	XWILJZMOVVBCCD-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@@H]1C=CCCCC1	2013270277	HFAVSQYALABJSO-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
C[C@H](NC1CCCCCCC1)[C@@H]1CCC1(C)C	2014943521	VRXBSBAKCIJXRR-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCC[C@](O)(CC1(C(C)C)CCC1)C(C)(C)C	2017115447	YFPAHLMXEZMAKN-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CCCC[C@]2(C)O)CCC1	2017117307	UGNPUTDSYJOTIY-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@@H](O)CC2(C(C)C)CCC2)CCCC1	2017121062	KNBWVDVANZHTJB-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC1(C(C)C)CCC1	2017142038	FZKXQVGCDGJPCL-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(C[C@@]2(O)CCCC[C@H]2C)CC1	2017658474	RWEHYHDOSVXNJY-LMPOIIKSSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@@](C)(CC)CNC)CC1	2017729217	UKEANFSHWDONLY-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CC[C@@H](C)C2)CC1	2017770071	HJCXHDWKJMUNCN-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCN1C[C@H](C(C)C)CC[C@@H]1C	2019378826	ALGVSJWYNJVMLN-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCCCC12CCCC2	2019415171	YAHHQAKODMSMCG-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CCCCC(C)(F)F	2023343268	BMCADJBSGOPJBB-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCc1cc(F)ccc1NCCCC(C)(C)C	2023454100	ILBXGGTYOVKGCL-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
CC[C@H](CC1CC(C)(C)CC(C)(C)C1)[C@@H](C)N	2024100498	CWIWRAHCTAUKLD-TZMCWYRMSA-N	239.447	4.602	0	10	BJAE	
C=C=CCC[C@@H](CC[C@@H](C)CCCC)NCC	2026057971	BGJDYYDZAGIVBA-HOTGVXAUSA-N	237.431	4.692	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@@H]1C[C@@H]1C)NCC	2026165256	ZWOCJIUTJAEJAV-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](C=C1CCCC1)NC	2026170603	QWCOOPMFBNKITE-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCNC[C@]1(CC2CCCCC2)CC=CC[C@@H]1C	2027926392	NKTZGWYBMJXWQH-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC(=C[C@H](C)C1CCCCC1)c1ccc(N)cc1	2027942237	VIJDIMSOPCWTPK-ZDUSSCGKSA-N	243.394	4.889	0	10	BJAE	
C[C@@H](C[C@@H](C)c1ccccc1)c1cccc(N)c1	2027956272	JQNCOVAYRPYVMJ-KGLIPLIRSA-N	239.362	4.566	0	10	BJAE	
CCc1ccccc1[C@H](N)[C@H](CC(C)C)C(C)C	2028254115	CWFGPOOLJKRRML-SJORKVTESA-N	247.426	4.567	0	10	BJAE	
Cc1cccc2c1ccn2CC1CCC=CCC1	2028870391	QGJMUPMXCSNTCD-UHFFFAOYSA-N	239.362	4.696	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)c1cccc(C2CCC2)c1	2032425800	BBAWHSKJHMVZEB-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CC1(CCN[C@H]2CCC23CCCC3)CCCCC1	2033212280	IUQWHUCYNOJMPL-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)[C@@H]2CCC2(C)C)c1	2033572861	SHQQUJKGWDXFSY-AWEZNQCLSA-N	244.378	4.603	0	10	BJAE	
CC[C@@H]1CCc2ccc([C@H](C)CC)cc2[C@@H](O)C1	2034179241	ZZWDPAMGTXWPDM-XNJGSVPQSA-N	246.394	4.596	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCC2)CCC[C@@H](CC)C1	2035586394	ACJVVHZKDJUHDF-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
O[C@@]1(C[C@@H]2C=CCCC2)CCCCC12CCCC2	2035600709	QGUKJGMWMIZVNK-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@]2(N)C[C@H]3CCCC[C@]3(C)C2)CCC1	2037106555	JGFILKOBLUNMHC-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC(C1CC1)C1CC1	2037189100	FXXXUXKHNZSYTM-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(C[C@H]1C=CCCCC1)C1CCCC1	2037272823	GOFHNKKWNQOGND-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(C[C@@H]2C=CCCC2)C1	2037305753	USHHXKZAWBTMTJ-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
N[C@H](CCC1[C@H]2CCCC[C@H]12)CC1CCCCC1	2038164139	BPOLIVHRWZDCHS-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCC=C1CCC2(CCNC2)CC1	2038433193	OAWLLEAPCHRQRK-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H]1CCC2(CC2)C1	2038570990	GWOOQWVMIGCHNF-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCC1CCCCC1)CC12CCC(CC1)C2	2039355401	ZWFDXMBXTSKRCW-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CCC[C@@H]1CC1(C)C	2039439873	BGJQXRNTLNPQND-FZKCQIBNSA-N	249.442	4.523	0	10	BJAE	
C[C@@](O)(C1=CCCCCCC1)C12CCC(CC1)C2	2039858737	DIVQJUCOBUOMSL-ARWYELJZSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CCC1CC1)Nc1ccccc1C(C)(C)C	2040317629	XFJLQJSAJUIVAK-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
CCC[C@@H]1CCC[C@H](Nc2cccc(C)n2)CC1	2041500481	VCUQRAOKBCIZGN-CABCVRRESA-N	246.398	4.551	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(CNC(C)C)CC=CC2)C1	2042091886	PQUKQGOOYHCBNC-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)c1ccccc1C1CC1	2042290342	LTEXBBVGHNJKOL-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H](C)CC2=CCCCC2)CC1	2043192251	UFVXEUCYKOEPHJ-BFYDXBDKSA-N	249.442	4.824	0	10	BJAE	
CCCC[C@H](N[C@H]1CC[C@H]1CC)c1ccccc1	2043706111	YACGKPQXURFRNV-PVAVHDDUSA-N	245.410	4.696	0	10	BJAE	
CNC[C@@H]1CCCC[C@@H]1C[C@@H]1CCC=CCCC1	2045329014	KJFBNOXSUSXCLA-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(F)c(C(=O)C2(C)CCCCCC2)c1	2045596051	LZQBFPLUQLPRBS-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2048466138	TYTJYYDTBWYBMD-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCC1)[C@H]1CCCC(C)(C)C1	2049490751	SDMVUGXIADOCOY-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](CNC[C@H]2C=CCCCC2)C1	2049512553	UIKIAGZEJNZLEO-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NC[C@H]1CCCC2(CC2)C1	2049852668	FMBKTSHKWHPAKW-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC[C@H](C)C(C)(C)C)c1ccccc1C	2050457595	DUSCVLMWAFHBBK-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC(C)(C)C1)c1ccco1	2050524536	GAKIOHOEAVLMRF-UONOGXRCSA-N	249.398	4.537	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C1(C2CCC2)CC1	2051911971	QLBQZZBSCHOARB-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C=CCCC2)CCCCCCC1	2052481401	YGBYEESVCLOOSI-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCCC(=C2CC3(CCC(N)CC3)C2)C1	2056619956	ZCWYNDSJKGJKGK-NVPAJSRCSA-N	247.426	4.565	0	10	BJAE	
CC=CCCC[C@H](CC1=CCCCC1)NCCC	2059224976	HYKZEFHOPMNKBC-QGZVFWFLSA-N	249.442	4.992	0	10	BJAE	
C=C=CC[C@@H](CC1CC(C(C)(C)C)C1)NCCC	2059446374	HKDHAARTARYKKD-GPANFISMSA-N	249.442	4.548	0	10	BJAE	
CC(C)C1CCC(N)(C2=CCC(C)(C)CC2)CC1	2061113972	UDZHXQZGDYWZND-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CC=C(C2(N)C[C@H](C)C[C@@H](C)C2)CC1	2061123181	VSFCURPZMPGUSP-KFWWJZLASA-N	249.442	4.523	0	10	BJAE	
C[C@H](CC1CCCCC1)NCC[C@@]12CCC[C@H]1C2	2061572816	UAHOVFOMSIINTG-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)N(CC(C)C)CC1CC(=C2CC2)C1	2061708942	FHTCRJKCUYWTBB-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063541395	QVOWWNPAGDHWSF-FZKCQIBNSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H]1C[C@H](CCC2CCCC2)CC2(CCC2)C1	2063641433	NLVUYBSVBRHPLF-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@]1(C2CC3(C2)CC(C)(C)C3)CCCCCN1	2063800309	VHOIZAFFGYHRRY-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@](CNC1CC1)(C[C@@H]1C=CCCC1)C(C)C	2064501817	NNNWSBNXTDTFFZ-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CC12CCC(CC1)C2	2065273829	AYAXKITYACUVJN-SMOLVSOFSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC([C@](C)(N)CC23CCC(CC2)CC3)C1	2065340510	WVWGKDQYKDNKNR-BLDCVEFLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCCC12CCC(CC1)C2)C1(C)CCCC1	2067507985	HKLBUWDUCIOPSO-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H](C)c2ccccc2)CC1	2069504507	BDHVSEGSCVLMEQ-AWEZNQCLSA-N	244.378	4.576	0	10	BJAE	
Cc1ccc([C@@H](N)CC[C@H]2CC[C@H](C)CC2)cc1	2072800541	FKWZQYDOOYHXNN-QRTARXTBSA-N	245.410	4.601	0	10	BJAE	
CC1(C)CC[C@@](C)(NC[C@@H]2CC23CCCCC3)C1	2073068104	OBLVEATVSWGFEI-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(N)(C[C@@]23CCCC[C@H]2C3)CC1(C)C	2074025984	RKHRYMKJBLTVSU-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CCC1(CN2CCCC[C@@H]2C2CCCCC2)CC1	2074590327	JROTWKXBWWVKFY-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CC[C@](CNC2CC2)(CC2(CC)CC2)C1	2074623230	GBSDMLOKHHEJBK-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)c1ccc(C)cc1	2074640556	DCWWURCZRMZRFE-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCCC2(CCC2)CC1	2074900663	SBYBKQOERTWPID-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCCC1CCC(CN(C)[C@@H]2C=CCCC2)CC1	2075084044	IDUASCLWAQLRKB-OFLPRAFFSA-N	249.442	4.633	0	10	BJAE	
CCCC1CCC(C=C[C@@H]2CCNC2(C)C)CC1	2077984486	QEWQAFCSUUWCAW-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)CCNC1CC2(C1)CC1(CCC1)C2	2083631474	WVLVDUXLAMZLHI-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1([C@@H](O)CCCCCCC2CC2)CC1	2213578531	NFWJFZWYDDHLGM-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@H]1n1ccc2cccc(F)c21	2214770059	WXGCMYFQLZAKDZ-BXUZGUMPSA-N	231.314	4.532	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H]2CC[C@@H]2C)CC1	2214947396	BJPOGKKAFPNVEI-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](O)C1(C)CCCCCC1	2215254834	VHBGRIFXAHZIGQ-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@@]1(O)CCCCCCCC1CC1	2216865179	WFMZSWGCVUXVMD-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC1(N)CCC(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218325271	NOWNZFBMKDBNJW-LJEMCRLJSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CCC[C@H]1C1CC1	2218731747	LXJOXHBVGQHNPW-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@]12CCCC[C@@H]1C2	2220044493	IRORFHIDRAJAAB-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CC(N)(C2CCC2)C2CCC2)C1	2221022079	CRKGDDZWUPYACA-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@]1(C)CC=C(C)CC1	2221622561	IHZMYSUOCAWWEV-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CC1(C)C[C@@]1(CNC1CCC1)CC1CCCCC1	2223603875	FBFZSRVVBTVJBO-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1cccc2ccoc12	2224150691	JKGAAIOZGGQNSY-GFCCVEGCSA-N	244.334	4.688	0	10	BJAE	
CC1CC(C)(Cn2ccc3c(Cl)cccc32)C1	2246523531	IMJKRYYSWVUVFR-UHFFFAOYSA-N	247.769	4.731	0	10	BJAE	
C[C@H]1CC[C@H](CC[C@H]2CCC[C@@H](C)C2)CC1=O	2246665564	SEUOLTHHULOMCG-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2C=CCCC2)C1	2246667309	XXQQJDYSPFLRDR-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCC[C@@H](C)C1)C1CCC1	2246731627	HVMBQXUTXDJKPV-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C[C@H]([C@@H](N)c1cc2ccccc2s1)C(C)(C)C	2246878099	QSYIKOGUKBOXCN-QMTHXVAHSA-N	247.407	4.583	0	10	BJAE	
Cc1cccc(C)c1NCCCC[C@H]1C[C@@H]1C	2247099889	WGYQWZMQEHLLTD-GJZGRUSLSA-N	231.383	4.542	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C1CCCCCC1	2247176264	NWFYPTBTYJMVSV-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H](CC)C(C)C	2247531883	PHCMSIVORZNHPA-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCc1cccc(F)c1NCCCCC(C)C	2248103780	BOWVWUZRJZARGI-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@@H](CN)C(C)C	2250475074	PDTWEHNLOYNREE-CVEARBPZSA-N	241.463	4.850	0	10	BJAE	
CCC[C@H](C)C[C@H](CCC1CC(C)C1)NCC	2251753665	BBMWSUXYAHALGQ-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@]1(C)NCC[C@@H]1CCCCC12CC2	2253884988	YBAMKHBVJGITSP-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Nc1ccccc1CCC[C@H]1CCCCC12CC2	2253887731	ZBEZLCHVMYQUKH-OAHLLOKOSA-N	243.394	4.562	0	10	BJAE	
CC(=CC[C@H]1CCC[C@H](C)C1)[C@H]1CC[C@H](N)CC1	2253932309	BBDYLWRAFONTJC-ORQFMDKSSA-N	249.442	4.667	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@H](C)C1)C[C@@H]1CCCCN1	2253998938	WGIQTFJODUQNSB-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC2CC3(CCCC3)C2)[C@@H](C)C1	2254041030	HGAGSJIMIRSWEF-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
CC1CC2(C1)CC(NCCCC1CCCCC1)C2	2254156941	HFBGSHMTMLYHPS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(C(=O)CCCC[C@H]2C[C@H]2C)cc1	2254606538	GACKWSMSCHEAMB-CJNGLKHVSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@H]2CCC23CCC3)CC1	2255010401	RVHCZHZXTHOKHE-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
O[C@@H](CC1=CCCCC1)C[C@H]1CCCCC12CC2	2255095029	QHSPUJJEMRYFMC-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)CC[C@@H]2CCCC23CC3)C1	2255272110	XRTJQHRPQZPYJZ-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCC=CCC1)C[C@H]1CCCC12CC2	2255336959	ZIYLZKBQHUSRLH-OAHLLOKOSA-N	246.394	4.662	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H]2C[C@@H]2C(C)C)cc1	2256229726	FTNSVYVRTJIUQB-JKSUJKDBSA-N	244.378	4.504	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3CCC[C@@H]32)cc(C)c1C	2258252317	KSMNRSYIUWTTQS-HYVNUMGLSA-N	243.394	4.602	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@@]12CCC[C@@H]1CC2	2260492334	QTBVCHSKCYBJMN-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@@]23CCCC[C@@H]2CC3)CCC1	2260509592	WLBIIBKCDWHOLE-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(NC[C@]23CCCC[C@H]2CC3)c1	2260579790	TVHGXPQLOYVKTC-DOTOQJQBSA-N	243.394	4.686	0	10	BJAE	
C(CCCN[C@@]12CCC[C@H]1CC2)CCCC1CC1	2260638310	MPTLDOMQAYZSGC-DLBZAZTESA-N	249.442	4.659	0	10	BJAE	
CC1CCC(CN)(C[C@@]23CCCC[C@@H]2CC3)CC1	2260679020	OWGUSTJBYCKWMJ-MYBQVCMBSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H](CCC1CC(C)C1)CC1CC=CC1	2261487557	VJEZZMAJYJJPAQ-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC1CC1)C(C)(C)CCC	2298858175	MNOCRBWFFGCCJL-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H](C)CC1CCC1	2298913010	BOCKRFSUFGWDJT-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(C1CCCC1)[C@@H](C)CC1CCC1	2298914946	LNKAOVLDHMNQQJ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCCCN(CCC(CC)CC)C1	2300680494	FBXFESFAGGBOEU-INIZCTEOSA-N	239.447	4.715	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H](CCC(CC)CC)C1	2300683437	JPSGKWANQMSCDM-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)(CC)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301140398	OQTQMBIKTUOZSF-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
C[C@](CN)(CC1CCCCCC1)C1CCCC1	2301180046	NRRGOWNJKRHDNM-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@]1(O)CC1CCCCCC1	2301236114	JSPWIMDZQPNCQR-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](CC2CCCCCC2)N1	2301246893	KRJXTLYXYXSBRE-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(CCCC2=CCCCC2)c(C)cn1	2302349447	PQTZWHQYQJFGHD-UHFFFAOYSA-N	229.367	4.522	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CCCC1=CCCCC1	2302358309	FICFLWVXUXOUJQ-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CCCCC(C)(F)F	2302619759	JCPSRADCUBHLMG-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2CCC(C)(C)C2)C1	2302748309	MHFGGCMPOGDEAG-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@H](C)CC[C@@H]1CCC(C)=C(C)C1	2303522432	FCUPDBNSHOUDRI-XJKSGUPXSA-N	237.431	4.539	0	10	BJAE	
CC(C)Sc1cccc(-c2cccc(O)c2)c1	2307552867	ZAELUTNSXXXZLZ-UHFFFAOYSA-N	244.359	4.560	0	10	BJAE	
C[C@@H]1C[C@H]1COc1ccc2ccccc2c1Cl	2307639252	WVLHPTJNZNZFBS-PWSUYJOCSA-N	246.737	4.528	0	10	BJAE	
CCC[C@@H](CC)CC1(N)CCC(C(C)C)CC1	2307825544	CDUJZEHYGVLDIZ-QQFBHYJXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CCCC1CC1)NCC	2307834508	JPIWAHGETKDXLI-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)C1(C)CC(C)C1	2307891913	BLQAKUYOZXFUDY-FYRZTWFESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC[C@H](C)[C@@H]1NCC	2307902604	LWDLPBVFIKCDFD-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21)C1CC1	2309180823	LAQADWRBGBFEMB-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1C)C[C@H]1C=CCCCC1	2311275586	CPMITNNVRSAJLB-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1	2311525769	GSTKHZMNXKVRJV-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCC[C@H]1C[C@@H]1C[C@H]1C1CCCCC1	2311610161	GGBOKBPGNNPTBA-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)C[C@@H]3CCCC[C@@H]32)C1	2311892566	KUMBQFCAZVUQHY-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCCCCC1	2313170428	LLFPQGGXRLORPU-ORQFMDKSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@@]12CCC[C@@H]1CC2	2313292505	QIQAAAFMGSQFOM-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313324273	RKERKSZBOZSYFO-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C[C@H](C)c1ccccc1	2313705625	VMJNEIKPFIPJNI-KBPBESRZSA-N	244.378	4.576	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCC[C@H]1C[C@@H]1C	2315870050	JGAZTLGQNOIFFX-HOCLYGCPSA-N	245.410	4.967	0	10	BJAE	
CCCC1(C[C@H](N)CCC2=CCCCC2)CCC1	2317976235	WCFDFLHHCBMLGT-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
NC1(CCCC2=CCCCC2)CC(CC2CC2)C1	2318537101	ICQIVKOWZSHBGX-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H]1CC(C)(C)C[C@@H]1CCCC1=CCCCC1	2318573546	TUYYRJLPOSCBQP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)C[C@@]12CCC[C@@H]1C2	2318580387	YPMFLNRFQCTZSA-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CC[C@@H]2CCC[C@H]21	2318588827	KHRAVQHIQLKHQH-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC2(CN)CC3(CCCC3)C2)C1	2319069088	WFEIDDJNVRSQMX-AWEZNQCLSA-N	249.442	4.502	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCCC[C@@H]2C[C@H]21	2319261361	NSULCIWJDSXURH-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CCCC[C@H]3C[C@H]32)c1	2319332345	RWTAPIDAFDXLDI-YSVLISHTSA-N	241.378	4.555	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC(C)(C)C2(C)C)CC1	2320237911	PBRMXVGJVCEOBM-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CNC[C@]1(C2CCCCCC2)CCC(C)=C(C)C1	2320262445	BQUZUHXWPNMCPA-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC[C@H](C)C[C@@H]2C)CC1	2320422257	GMQRMKJNZWBRTR-KKBVYLPWSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)C1CC(=C2CCC2)C1	2328274736	MFWURRXGFGMSPU-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)c1ccccc1CC	2328277706	ZDETXCPWCFOJTP-PBHICJAKSA-N	247.426	4.639	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CC)c1cccs1	36792006	IZDALKNCYFKFJK-STQMWFEESA-N	239.428	4.758	0	10	BJAE	
CCCC[C@H](C)Nc1ccc2nc(C)sc2c1	37278421	LMZSEPGUWYAKLP-JTQLQIEISA-N	248.395	4.595	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)[C@@H](C)C[C@@H](C)C2	49829118	XDWJVFXHZHUEHS-ZJUUUORDSA-N	237.774	4.544	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1cccc(C)c1C	70977683	CXINPBPWRCMXGL-ZBFHGGJFSA-N	231.383	4.684	0	10	BJAE	
CCC[C@@H](CC)N[C@@H]1CCCC(C)(C)CC1	83435732	CVQMBFMGFTWEIM-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H](C)C[C@H](O)C1CCC(C(C)(C)C)CC1	87985471	UFTAFHBNASZTEM-URGYJCLVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)[C@@H](N)c1ccc(C(C)(C)CC)cc1	90482939	RJHXGLKADRWLOJ-XJKSGUPXSA-N	247.426	4.810	0	10	BJAE	
CCCN[C@@H](CC)[C@H](CC(C)C)c1ccccc1	92596166	FFACYZMPGMNIAI-SJORKVTESA-N	247.426	4.595	0	10	BJAE	
C/C(=C/c1ccc(C(C)C)cc1)CNC(C)(C)C	92732202	QEOWONQLSLFKNV-KAMYIIQDSA-N	245.410	4.601	0	10	BJAE	
Cc1ccc(NC2CCC(C(C)C)CC2)cc1	109757895	WUALJVYDFJFJQB-UHFFFAOYSA-N	231.383	4.622	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCCC[C@H]2C)c(C)c1	109899296	VXVMQZOCPVKJEZ-DOMZBBRYSA-N	231.383	4.602	0	10	BJAE	
CCC1CCC(c2nc(C(C)C)cs2)CC1	131971157	OCVKCYZNSFXFIO-UHFFFAOYSA-N	237.412	4.950	0	10	BJAE	
CCCCC[C@H](NCC)c1coc2ccccc12	135412245	GXDWCQJDVYXZEM-HNNXBMFYSA-N	245.366	4.664	0	10	BJAE	
CCCCCC[C@@H]1CCCC[C@@H]1CNCCC	155610636	ZZUAEGMTZGYEQY-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)NC[C@H]1CCCCC[C@H]1C(C)(C)C	155858246	NAWRCYHCPXXMHS-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@]1(CNC(C)(C)C)C1=CCCCC1	161461318	HAYYNOPWCJTZQM-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H]([C@H](CC)c1ccccc1)C(C)(C)C	164676657	OYJNHUNSUIUZFQ-HZPDHXFCSA-N	247.426	4.595	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC2CCCCC2)CC1	203698394	MAAVRWSUAFFJMP-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)c1nc2c([nH]1)CCC[C@@H]2C	216974108	KXALGAYYOBXMIV-RYUDHWBXSA-N	234.387	4.533	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1C[C@@H](C)CC[C@@H]1C	221668760	PURZUDZREBYWEM-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)c1cccc(C2CCC2)c1	226801285	QEWBHRABOWKCSB-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1ccccc1C(C)(C)C	229270425	LCCYPGUPVQAUAB-CZUORRHYSA-N	248.410	4.844	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C(C)C)C2)cc1	230986393	AZOJHPVRRSQZBE-ZBFHGGJFSA-N	231.383	4.622	0	10	BJAE	
C[C@H]([C@H]1CNc2c(Cl)cccc21)C(C)(C)C	235592322	QMCDIPWJLSHIHU-MWLCHTKSSA-N	237.774	4.531	0	10	BJAE	
CC(=O)Cc1cccc([C@@H]2CCCC(C)(C)C2)c1	258392433	SRHDGCNDJSQGNN-MRXNPFEDSA-N	244.378	4.502	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@H](CC)c1ccccc1	300473317	ZJQKSAKRDABKLP-UAGQMJEPSA-N	247.426	4.595	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCC(C)(C)C)s1	300773782	AFHZFIZLSGUENR-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H](C)CC(C)C	300956688	QJGFLYYATYQNOJ-HIFRSBDPSA-N	227.436	4.602	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(O)CCC(C)(C)C	304342659	FNVJAQLDEGOXCS-ZFWWWQNUSA-N	228.420	4.636	0	10	BJAE	
CC(C)C(C(=O)C1C[C@@H](C)C[C@H](C)C1)C(C)C	304402779	OJHCEGAOHNOXGT-STQMWFEESA-N	238.415	4.556	0	10	BJAE	
NCC1(CCC2CCCCC2)CCCCCC1	305990919	SVFGNEKUAUGCFC-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
c1ccc(CNc2cccc3ccsc23)cc1	306876871	HSZCCHNEHFTFHK-UHFFFAOYSA-N	239.343	4.513	0	10	BJAE	
CSc1cc(S)cc2scc(Cl)c12	307489888	FHQXWNAYCAONBJ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H](CC)CC(C)C	308056163	BRUHJFOXOBOTDN-XHSDSOJGSA-N	241.463	4.993	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H](CC)CC(C)C	308101430	RRKSGIITMSOEIT-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
C[C@H](C[C@@H](O)C1CCCCC1)C1CCCCC1	310362612	UWRJJMPCAIVTOQ-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@H](O)CC2CCC(C)(C)CC2)CC1	310570869	ZFAGBKZYXUJXRB-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@@H]1CCC[C@@H](C)C1	310971719	RLNKLKNCYYRTCJ-CPUCHLNUSA-N	246.394	4.670	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CN[C@@H]1CCCC12CCCCC2	313098793	FYEOKKMCXRYSHD-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](NCCCC(C)(C)C)c2ccccc21	313278957	GXZDISSASLULSM-BBRMVZONSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)c1ccc(C(C)(C)C)cc1	319074338	ZCEZQJYNPPXDGA-WOSRLPQWSA-N	247.426	4.666	0	10	BJAE	
CC[C@@H](C)[C@@H](C)n1ccc2cc(C)ccc21	319526176	GLFRYWDQOZMYKK-CHWSQXEVSA-N	215.340	4.557	0	10	BJAE	
C[C@H]1C[C@@H](n2ccc3cc(F)ccc32)CC[C@H]1C	379970336	MCZFDZIPRYBHEX-XUJVJEKNSA-N	245.341	4.778	0	10	BJAE	
C[C@H](CNc1cccc2c1CCCC2)C(C)(C)C	380989415	FABFKDWGQRKVBT-CYBMUJFWSA-N	245.410	4.660	0	10	BJAE	
CC(C)CCCCCC(=O)c1sccc1F	383189081	WJJDVOJLQZDJFM-UHFFFAOYSA-N	242.359	4.676	0	10	BJAE	
CC(C)[C@@H](CNC(C)(C)C)CC1(C)CCCC1	383650087	IZDMNVSIATUETM-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CN)(CC2(CC)CCC2)CC1	383732964	XCDDZNIKNPUMHX-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CCC2=CCCCC2)C1	385141622	INUCRMJYQGDWMD-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CC(C)C(CNc1ccc2[nH]ccc2c1)C(C)C	385383244	URJYZARCPGLFOV-UHFFFAOYSA-N	244.382	4.508	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CCC2=CCCCC2)c1	395173846	MQKHXBVZVSCJGA-QGZVFWFLSA-N	244.378	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NCCCC1CCCCC1	395174034	NYQPLNXSAPHNSD-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCC1(C(=O)c2cc(C)c(C)cc2F)CCCC1	395805805	CDINOIYJWAASRI-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
Cc1cc(F)c(C(=O)CCC2CCCC2)cc1C	395913450	QDCKSOVLYOMLEH-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCOc1cc(Cl)c2ccsc2c1CC	396187419	IAWPPIHRHCZKFC-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1cc(S)c(C(F)(F)F)c2sccc12	396298219	HZXNGGMDASAAHO-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
Cc1scc(C(=O)CCC2CCCC2)c1C	399931231	PGQYFUYESTZCKQ-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](C[C@@H]2CC=CCC2)NC)C1	402114198	AMEWNPVNCKDHOH-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC(C)(C)C1CC1)c1ccccc1	405701944	BDHIDVCDHMFPDL-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C1CC1)CC(C)C	405791353	GMRYHIPTPVSMOO-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCC(C)(C)C2CC2)C1	405949340	FAFSACHLIJYECT-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCc1ccc(NCCC(C)(C)C2CC2)cc1C	406126378	UNZHTVNVNXCUQZ-UHFFFAOYSA-N	245.410	4.796	0	10	BJAE	
CC(C)(C)N1CCCCC[C@@H]1c1cccc(F)c1	616606024	VXULCKXLNSIWKI-OAHLLOKOSA-N	249.373	4.541	0	10	BJAE	
CC(C)c1cccc(-c2cccc([C@@H](C)O)c2)c1	688958888	GVUDSYYPLZGEHP-CYBMUJFWSA-N	240.346	4.530	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1nsc2ccccc12	690627299	FNLZPUVFZYQBSO-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
CCC(CC)CN[C@@H]1CCCCC[C@H]1C(C)C	691164518	IJGAFINHFHPDMZ-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)C1CCCCC1	691753196	FEFHAHMQMNCDKL-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCCC2(CC2)C1	695683928	QPMIGEPIOMBSTF-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCC(C)(C)C[C@H](C[C@H]1CCC[C@H](C)C1)NC	696247048	FMMSXIFRMWXGLY-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCNc2ccccc21	696686270	GUCKXLMSBRBMHD-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCCCC[C@H]1C(C)C	701093967	HESDPTCZNGGUAL-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCCC1CCC([C@H](N)C(C)(C)CC)CC1	701183784	NIWJPDHQADNDMG-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
Cc1c(Cl)cccc1OC[C@@H](C)CC(C)C	702634786	UNAGVCGIEAFXMV-NSHDSACASA-N	240.774	4.709	0	10	BJAE	
c1ccc(-c2ccccc2NC[C@H]2CC23CC3)cc1	705226372	OJXGXZCJNZWAEN-OAHLLOKOSA-N	249.357	4.566	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@@]1(C)CC1(C)C	705305205	HRZYPGJRRWJBNJ-NVXWUHKLSA-N	245.410	4.507	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H]1CCCC12CC2	706237714	UZGHLIOLASTXPF-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1ccc(C2CCC2)cc1	709231666	AEOFUFYZEDOWDE-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H](C)CC(C)(C)C	709263004	VCQQDYWLXFMAHA-DZGCQCFKSA-N	228.420	4.780	0	10	BJAE	
C[C@@H](C[C@@H](O)c1cccc(C2CC2)c1)C(C)(C)C	710788083	QORCLCHTVHBWGT-BLLLJJGKSA-N	246.394	4.670	0	10	BJAE	
CCc1ccccc1[C@H](O)C[C@@H](CC)C(C)(C)C	711088770	VUCXJQOLUBCSIC-GDBMZVCRSA-N	248.410	4.745	0	10	BJAE	
C[C@@H](CC(=O)C1CCC2(CC1)CC2)C(C)(C)C	711143917	FFFJPAAQMKVWLZ-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CC[C@H]2CCCC[C@H]2N1	712335524	RHIWUOJHYXWPRE-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C[C@H]3CCCC[C@@H]32)CC1	712368796	FCJWZIZGDKFKDG-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@H]1C[C@@H]2CCCC[C@@H]21)C1CCCCC1	712449380	FEWAOKHKMOWLFF-NXOAAHMSSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](NCCCCC2CC2)CC1	716357565	HXOZBANWANAIDM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC2(C3CCC3)CCC2)C1	717884498	HRQKCZNLZILRKU-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CC1CCCC1	718534324	UCLGXPCDMMKYPJ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H]1CCCC12CC2	718612806	MUCDXOOWVRXAQE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCCc1c(C(C)C)ccc(C)c1O	718629202	PHVDJSYGWCOFQE-UHFFFAOYSA-N	232.367	4.723	0	10	BJAE	
CCC[C@](O)(CCCC(C)(F)F)C1CCCC1	718721595	ILPGDRYNXZKFBF-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
Cc1ccccc1S[C@H](C)CC(C)C	1165562054	HPNMLPDRXTYQJA-GFCCVEGCSA-N	208.370	4.522	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C[C@@H]3CCC[C@@H]32)CC1	1205600217	GWXRLJVKGDEMOE-CWRNSKLLSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	1474201004	LOCKJGRLRWQUEJ-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)[C@@H](C)Sc1ccc(Cl)cc1	1613257110	HFBYUVZQFGVEQE-VHSXEESVSA-N	228.788	4.867	0	10	BJAE	
CCCCN(CCCCCF)C1CCCCC1	1654570012	ORCYZEQHLRLGCN-UHFFFAOYSA-N	243.410	4.561	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCCC[C@H]1C	1900711743	FNSZVFLTBBCUNY-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)NCC=C(C)CCCC(C)C	1900828347	ZWILWPQBJIQJCZ-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CC1CCCCCC1	1901135728	KFELWEGNIPDKQT-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CCC[C@H]1C(C)C	1907601623	YJPIJEZLOUUDKY-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(=O)CCC[C@@H]1C[C@H]1C)C(C)(C)C	1908546043	ZMWPFVKTLJIDLH-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@](C)(N)C1(C)CCCCC1	1908553623	CIIPUTLUOBNVGJ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
C=CC=CCC[C@@]1(CNCC(C)C)CC[C@@H](C)C1	1912070383	SSEKKQITWHZBHK-IAGOWNOFSA-N	249.442	4.561	0	10	BJAE	
CC[C@H](N[C@@H]1CCC2(CCCC2)C1)[C@H]1CC1(C)C	1916492520	JJHIXYYPYJTYCG-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCC(CC)[C@](C)(N)c1ccc(C(C)(C)C)cc1	1920459940	GRRKTQLXLLSKBR-KRWDZBQOSA-N	247.426	4.594	0	10	BJAE	
CCCC[C@@H](CC)CC1(CO)CC(C(C)C)C1	1921105773	SYZMYMPNUQRPLW-QQFBHYJXSA-N	240.431	4.638	0	10	BJAE	
CC1(C)C[C@@H]1CCN[C@@H]1CCCC2(CCCC2)C1	1921580930	SOYJYGQPNGXCEZ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](c1nc2ccc(Cl)cc2[nH]1)C1CCCC1	1924110438	XSCKANYFNXPLMM-SECBINFHSA-N	248.757	4.510	0	10	BJAE	
CNC[C@]1(C[C@@H]2C=CCCCC2)CCCC[C@H]1C	1925803688	VBSCYDKFDQDREY-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1ccsc1Cl	1933788232	DXJTWBHFERYSSR-JTQLQIEISA-N	245.819	4.618	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@@H](C)CCC(C)C	1937160872	AFQUXZWSGWVEGI-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CC(C)CCCCN[C@@H](C)C(C(C)C)C(C)C	1940244216	DAFCPTLZUWMMEZ-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)C(C(C)C)C(C)C	1940247372	AALMQLNSZVBKIV-MRXNPFEDSA-N	242.447	4.882	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CC1(C)CCCCC1	1940404975	DIQZVZPXWXOWQC-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CCC[C@@H]1CC1(C)C)c1cccc(N)c1	1940971159	OWRFNGFIXVBGGI-TZMCWYRMSA-N	231.383	4.589	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C1(C)CC(C)C1	1941980703	VOOVXKNDGYVYKK-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@H](N)[C@H](C)CCC(C)C)C(C)(C)C	1942658059	OSYFYWFEZFSQNW-KFWWJZLASA-N	241.463	4.848	0	10	BJAE	
CC(C)(C)CCCC(=O)C(C)(C)C1CCCC1	1944634276	GFHYBHOTBYWACM-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C(C)(C)C1CCCCC1	1944666325	PJDIPLXOZLEFJX-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H]([C@H](C)CC(C)C)C(C)(C)C(C)C	1944669353	YQFOVPYPMJRAPF-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H]2CCC(C)(C)C2)C1	1945584166	RGIPTVLDGNHXKI-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(F)(F)CC)[C@@H](C)CCC	1947994407	XDDIFEVKMRJLLE-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948584374	DLCCPOPIIRDEDW-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(NC[C@H]2C=CCCC2)c(C)cc1Cl	1948820959	OPIKTFPRVFXNAP-ZDUSSCGKSA-N	249.785	4.725	0	10	BJAE	
C[C@@H](C[C@@](C)(N)CC1CCCCC1)C1CCC1	1949037368	LACAOTZSVAPICZ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C=CCCC1(C)C	1949663508	XFYVKWDDOATVBP-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
F[C@@H]1CCCC[C@@H]1C[C@@H]1C=CCCCC1	1962586924	XHVHRIAXZPGIMO-MGPQQGTHSA-N	210.336	4.651	0	10	BJAE	
C1CCCC(CN[C@@H]2C[C@@H]2C2CCCC2)CCC1	1966023611	UTRJIZOTXWVMOB-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
C1=CCC2(CCCCC2)N(CCCC2CCC2)C1	1966511977	UYAVGEYELFJQDK-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1C=CCCCC1	1978433386	LYEIKLUTVVHHNQ-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)CC(C)C	1978656981	XUQUQKQNCZLAJE-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
C/C=C/CCC[C@H](O)C[C@H](C)CC(C)(C)C	1984603806	QIAXLRANTSKVOQ-AGKLADILSA-N	226.404	4.556	0	10	BJAE	
C/C=C/CCC[C@H](N)C[C@@H](CC)C(C)(C)C	1984650018	STCNGONGLRDZCF-RNUUNTDPSA-N	225.420	4.523	0	10	BJAE	
Cc1cccc(C(=O)C[C@H](C)C(C)C)c1Cl	1988299806	MQWXZAKZCOLTNM-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)[C@H](CC)CCC(C)C	1990880406	HIKDZSJLTWZXMM-RRFJBIMHSA-N	227.436	4.568	0	10	BJAE	
Cc1cc(F)c(Cl)cc1N[C@@H](C)C(C)(C)C	1995047825	LAJJYYPVSRZGDJ-VIFPVBQESA-N	243.753	4.634	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H]1CC1(C)C	1995214640	NPKUSVBCRSFTKS-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC1CCCC1	1995262549	OLWYNOGSRQAJFO-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CC[C@@H](C)C1)NCC	1996248686	XPCAOHLBKDYNQO-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@H](C)C1CC1	1996573325	LKEURBBAQNGFMW-LBPRGKRZSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC[C@@]1(C)CC=CCC1	1997587341	BVHHJGVGKQGYQY-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CCC2(CCC2)C1	1998695827	KQYQOYRDVBTMQM-LBPRGKRZSA-N	249.785	4.783	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)c1cccs1	1999993439	ZNUBZFAVWCRUFL-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCCC(C)(C)C1)C(C)C	2000160984	BIWYSVBQXGYRSY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@@H](C)C(C)(C)C)C1	2000169084	NPOYNWTZFNEVLL-IACUBPJLSA-N	236.399	4.620	0	10	BJAE	
CCCN[C@H](CC1CCC1)C(CC)(CC)CC	2000389691	GIGRWLAVMSICJI-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C[C@H]1CC12CCCCC2)NCC	2001218795	YBIYWKLFLGPACZ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)CCC2CCCC2)C1	2003012574	APVQYKFNATYONA-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)[C@@H]1CCC[C@@H](C)C1	2003015270	NNBXUVZQFDCOHU-HLPPOEQASA-N	239.447	4.616	0	10	BJAE	
Clc1ccccc1NC1C2CCCC1CCC2	2003355809	KVTWRIBZNOQTJT-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
C[C@H](NCC1(C)CCCCCCC1)C1(C)CC1	2004937977	XXGZQAHHJDVKAL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCCC(C)=C1C	2006955208	YXYZNUGTUMIIJM-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C2CCCCC2)CC1	2007684057	YDTHOYRYXLJQEW-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H](O)[C@H](CC2(C)CCCC2)CC1	2009408810	WNDSYRGEALZZPF-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2010706490	UTKWUWSXAFAHNW-QEJZJMRPSA-N	237.431	4.523	0	10	BJAE	
CC(C)C[C@H](C(=O)CCC[C@H]1C[C@H]1C)C(C)C	2011570160	ONKGXSHETQQCBA-ILXRZTDVSA-N	238.415	4.700	0	10	BJAE	
CCCC1(CN[C@H](CC)CCC(C)C)CCC1	2013266209	DRBGWZHZUDCKFN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CC1(C)CCCC1	2013308575	HRZCXEYHPLJQOQ-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC(C)=C(C)CCNC1CC(CC(C)(C)C)C1	2014655428	ONQLBASWKAQBQQ-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCC1(C[C@]2(N)CCCCC[C@H]2C)CCC1	2015643546	DCAIDJJVLCMANP-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1(C(C)C)CCC1)NC	2017140985	LWOZAZHYIMBDAV-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](CC1(C(C)C)CCC1)NC	2017146304	RFQDJHUIIAHYIJ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CC[C@H]1C[C@H]1C	2017245819	PCSQZVSPHOSOLV-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H](C)C1CCCCC1	2017476349	WVTSVUXNTCITJF-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1(C)CCCCC1	2017490766	NJTZPBVLCTVWAT-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC1CCC(C[C@](C)(O)C2CCCC2)CC1	2017648062	KASVFJVTFNJKSI-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](CC)CC1)[C@H](C)CC	2017727704	CNCCCMUBAYYCPY-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H](C)CNCC)CC1	2017736992	ZOWLCUJEKIZQJY-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(C[C@H]2CC[C@@H](C)C2=O)CC1	2017772106	NQCCDWZLRGNPGT-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCCC[C@H]2CC)CC1	2018923814	HDURRYAZCDFMGD-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCCCCN(C)[C@@H]1C[C@H](C)CC(C)(C)C1	2019292002	UZTUERNNSQODHX-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC(C)(C)[C@@H]1O	2020407292	FENOYJYCQVLQQJ-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CC1)c1cccs1	2021025833	CZVNQUDAUSORLL-LLVKDONJSA-N	243.375	4.799	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)CC(F)=C1CCC1	2023187165	OOFHLZOIOBMCRZ-OAHLLOKOSA-N	241.394	4.588	0	10	BJAE	
O[C@H]1CCCCCCC[C@@H]1CC(F)=C1CCC1	2023250369	YMDCJDHZDZWTEK-HIFRSBDPSA-N	240.362	4.505	0	10	BJAE	
CC(=CCCCCC(C)C)[C@H]1CC[C@@H](N)CC1	2023558903	XNGMLVNBRBEKTM-IYBDPMFKSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@H]1CCC(C)(C)CC	2023612055	QHGYFLISSAAGEK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@H]1CCC[C@@H]1C	2026144924	OVHHDBUEBFYTQU-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC(C)(C)C(C)C	2026165586	CPLMSBPBZBBYHQ-LSDHHAIUSA-N	241.463	4.993	0	10	BJAE	
CCCc1ccccc1C(=O)CCCC1(C)CC1	2027903669	ONCRMJVWHSXZBJ-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CNC[C@@]1(CC2(C)CCCCC2)CC=CC[C@@H]1C	2027927512	YGCJHRWSGVEKAL-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@H]1CCC[C@@H]1C	2032506641	PTLHXCWJOSOGIX-JJRVBVJISA-N	245.410	4.636	0	10	BJAE	
CC(C)(C)c1ccc(OC[C@@H]2C=CCCC2)cc1	2035556966	SMEPAZKINRJLDP-CQSZACIVSA-N	244.378	4.719	0	10	BJAE	
CCCC1CCC(CN)(C[C@@H]2C=CCCC2)CC1	2035600242	LLCUUPQWMIRZHJ-AQFXKWCLSA-N	249.442	4.668	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@@H]1CC12CCCC2	2036093029	FTCUVGNLAIGZQR-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@](N)(CC1CCCCC1)C2	2036662846	ZFXLXMCUYGWKGM-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC1(CCCN[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)CC1	2036666165	PZDLWCDIPORMAG-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC2C[C@@H]3C[C@H]3C2)CC1	2037143751	RISOPPVDCRRQFO-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CC1(CCC[C@@]2(N)CCCC23CCCCC3)CC1	2037175499	FAXQTXVPIUUGLF-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC1(C)CC[C@@H]([C@]2(N)CCC3(CCCCC3)C2)C1	2037587290	BCBGWINNCQCWFM-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC1CC2(CCC2)C1)C1CCCC1	2037979344	KPADSSSSGMWMDG-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@@H](O)c2c(C)c(C)cc(C)c2C)CCC1	2039727645	YAZGLTZKPSLSRV-INIZCTEOSA-N	246.394	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1ccc(C2(C)CC2)cc1	2040719917	UIDXNDRJTRUVAK-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)[C@@]1(C)CC=CCC1	2042019779	QZLHNAUQOZWJQK-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCc2cc(C)ccc21	2045293106	AUWKVFVSRWWWMV-PBHICJAKSA-N	245.410	4.541	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CCCCC23CCC3)C1	2045386481	XYQFKGMHGZQVMV-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@@H]1CC[C@H]2C[C@H]2C1	2047354569	RUGCSVUJQLMJAZ-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C[C@H]1CCC12CCC2	2047929065	OBADTLJRUVQIIX-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
CCC(CC)C[C@@]1(CNC2CC2)CCC12CCC2	2047948760	YDQVYZQKZWHQKY-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1[C@@H]2CCCCC[C@@H]12)c1cccc(N)c1	2048492055	QRALJGGWHPFRQP-DAXOMENPSA-N	243.394	4.589	0	10	BJAE	
CC(C)C1CC(C(=O)[C@]23CCCC[C@H]2CCC3)C1	2048625054	WKCDPQXCVRZGFW-NDTCATRNSA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCCC[C@H]1[C@@H]1CCC2(CCCC2)C1	2049707882	LOCRUAIJXQEONH-CABCVRRESA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC2CCC3(CC2)CC3)C[C@H]1C	2049852586	CGBRTUFWWGCRNZ-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@@H]1CCC2(CC2)C1	2049867309	UEHQLDLSBBYHTB-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)C=CCCC1	2049999155	AZMQGERQBIPSAU-IVSAIRAKSA-N	246.394	4.518	0	10	BJAE	
CC[C@H]1CCC[C@H](CC(=O)c2ccc(F)cc2)C1	2050494990	OPATVVNMEYYPTD-STQMWFEESA-N	248.341	4.615	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCC2)CCCCC1(C)C	2053393727	JZZMAKDGANMHAU-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H](C)c2ccccc2C)CCC1	2055538290	AUKOOXJQAOOPGA-RDJZCZTQSA-N	243.394	4.535	0	10	BJAE	
CN[C@H](CC1(C)CCC1)C1(C)CCC2(CC2)CC1	2056552191	KBVCJPGIAUHGEO-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@]12CCCC[C@H]1CCC2	2056773533	CYWXJOGQXYJEOV-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H]1CC[C@@H](CC)C1	2056875324	FUJQNHMJRNLNPF-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H](N)C[C@@H]2CC2(C)C)CC1	2061090038	XWPPTBQLESUCOT-KFWWJZLASA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@H](N)C2(C)CCCC2)CC1	2061095060	KOPIKDMHBWTXPU-GJZGRUSLSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(N)[C@@H]2CCC[C@H](C)C2)CC1	2061117492	ZFGOHFXTHRXIOP-XOSAIJSUSA-N	249.442	4.667	0	10	BJAE	
CCCC(C)(C)[C@H](CC1CC(=C2CC2)C1)NCC	2061727789	BISJBLDVOSPCLR-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)C[C@H](CC1CC(=C2CCC2)C1)NC	2061739447	NMFUOBOTCDYQNT-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)CCC[C@H]1C[C@H]1C)c1ccccc1	2062629468	FQOSBXXYADFGMS-FMKPAKJESA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063540091	FNEAISKDPCLIHL-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1C(=O)CC12CCC(CC1)CC2	2065285803	JQFCJPNDEAPVML-CWVKQELPSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@H](CC23CCC(CC2)C3)NC)CCCC1	2065304730	CUZLAFQJDOZYRW-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)CC12CCC(CC1)C2	2065338959	WPCLVWIEYNFDDA-RKHAHWSXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)CC12CCC(CC1)CC2	2065339346	LKUQVBRRUZIARP-CWHQUEMWSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](O)(CCC(C)C)c1ccc(C(C)C)cc1	2066000185	PBEGMKCPTKFXFU-QGZVFWFLSA-N	248.410	4.844	0	10	BJAE	
CC(C)(C)CC1CC(N[C@H]2C=CCCC2(C)C)C1	2067965707	DJAFIEMPXKQYEF-NRXISQOPSA-N	249.442	4.536	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)[C@H]1CCC1(C)C	2068238587	GFSSOSXVQVDNDV-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc([C@H](N)CC(C(C)C)C(C)C)cc1	2068822854	ZWPCLJLTRUUVER-QGZVFWFLSA-N	247.426	4.567	0	10	BJAE	
CCCC1(C(=O)c2c(C)cc(C)cc2C)CCC1	2069336612	BKVOWGPQEBJKPG-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2070964454	VVDACOMDQXOJAV-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC1(C(C)(C)C)CCC1)[C@@]12CCCC[C@H]1C2	2071881232	LNSHMUUQIBVRLH-DZKIICNBSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1(CC[C@@H](O)c2ccccc2)CCC1	2071907942	ILJICGXHGWIXSA-OAHLLOKOSA-N	246.394	4.717	0	10	BJAE	
Cc1cc2ccccc2n1CC1(C(C)C)CCC1	2071925313	DGACOLLFPZZTSZ-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
CCC1(C[C@H](NC)[C@]23CCCC[C@@H]2CCC3)CC1	2074640032	AWLBTTCKGZLYHC-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CN([C@H]1CCCC(C)(C)CC1)[C@H]1C=CCCCC1	2075401290	LRNMBSFXTBUEIW-HOTGVXAUSA-N	249.442	4.776	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1C[C@@H]1C1CCCCCC1	2079519100	MELCSTYAAZMWDN-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1Nc1ccc2ccccc2c1	2079521324	BTIWCNPUWJABEE-HZPDHXFCSA-N	239.362	4.686	0	10	BJAE	
CCC1(N)CC(C[C@H]2C[C@@H]2C2CCCCCC2)C1	2079710836	NOHYHSMYYDKQSN-CBUUIXETSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2079852510	QXKBXAIUCNMXFZ-DUFGSWQCSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2079861737	GAHAGMQEZSGOBI-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)c1ccc(C(C)C)cc1	2079867017	SXSYTNAOKJVSCG-HZPDHXFCSA-N	244.378	4.819	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C[C@]1(N)CCCC12CCCCC2	2079885206	KJCDCHPNVSLYDY-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CN(CC=C1CCC1)[C@H]1CCC2(CCCCC2)C1	2081803948	GCIVFNAQEQQCHM-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)C[C@@H]3CCC[C@@H]3C2)C1	2082974475	ZTPXCPZIDQKDDC-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@H]2CC23CCCC3)C1	2082975512	JMERTAJVGLUDKQ-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@H]2[C@H]3CCCC[C@H]32)C1	2082986130	LAHGIIMTRVHQPI-AYDFFVQHSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1ccc(CC)cc1	2086045217	UUHKTNVCQBMXKR-YOEHRIQHSA-N	248.410	4.889	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC[C@H]1C[C@@H]1CC	2211590726	JCSKZPOVFFBNRQ-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
FC(F)(F)C(F)(F)CCCC[C@@H]1C=CCC1	2212617056	PPXGEFDSGGQOLY-SECBINFHSA-N	242.231	4.711	0	10	BJAE	
CCCCCC[C@H](C)NC1CC(CC2CC2)C1	2213390507	UYKXGDYJQVVGIT-JEYLPNPQSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC[C@](O)(CCCCCCC2CC2)C1	2213581006	RLCCRNMVVXIVSL-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C1(C)CC2(CCC2)C1	2215332078	SDDGPLZIGXNJSV-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C)(C[C@@](C)(N)C2CCCCC2)C1	2215392701	HKPIWKOSSCYLID-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CCC1(C)CC2(CCC2)C1)NC	2215400672	IMFRNQYQJWFILT-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC)CC1(C)CC2(CCC2)C1	2215403504	ZVAUHRTZJWTCIQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@H]2CC[C@H](C)CC2)C1	2215431062	LSKWYIBUAYPSGO-JOCQHMNTSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC1(CNC2CCC2)CC1	2217131894	URAXKGZREQLFQR-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@]1(CN[C@H](C)CC)CC12CCCC2	2217157799	VYKSTXVFZVVADD-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218342240	ZSWLZQDPSRGCRG-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCC[C@]1(N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218356081	JDAWUVCCIUEGTI-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(CC2C[C@H]3CCC[C@H](C2)C3)CCCCCN1	2218367614	RZVUDUOFVZRJMC-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC1CC(CC2CC2)C1)C1(C)CCCCC1	2218461912	MESNXASBXBHHCO-IUDNXUCKSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC=C[C@](N)(CCCCCCC2CC2)C1	2218730280	HPAKBTLYMLUTQQ-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]2C(C)(C)C)CC2(CCC2)C1	2221002122	QHDCTGOWCGVBPP-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC1(C)CC(C)(C)C1)c1ccccc1	2221027739	JMUWNIMQWPRECW-HNNXBMFYSA-N	245.410	4.554	0	10	BJAE	
Cc1cc(C=O)cc(-c2cccc(C(C)C)c2)c1	2221591962	MNDCTIBRWYMYKA-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CC1=CC[C@](C)(NC[C@H]2CCC=CCCC2)CC1	2221598365	AUOPRNGVZDIJIX-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](O)CC2CCC=CCC2)CC1	2221629511	ZQKHOFMMXBAYRP-DLBZAZTESA-N	248.410	4.620	0	10	BJAE	
CCCCC[C@@]1(CNC2CCC2)CC=C(C)CC1	2223550362	MCKUNULTXRMZMW-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1(C)C[C@@]1(CNC1CCC1)C1CCCCCC1	2223570027	WPPVHBSGZSFSPC-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@@H](CC)CCC	2244797508	QLSWQLOQXQUOSO-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CCC[C@H](CC)CNc1cc(C)ccc1C	2244799706	IPOUETZTQXGWRK-AWEZNQCLSA-N	219.372	4.542	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC1CC2(CCCC2)C1	2246791084	MPHKXOYOWARZRB-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)[C@H]1CC[C@H](C)CC1	2247173410	RZCZWZMZQCALJP-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@](C)(N)CCCC[C@@H]1C[C@H]1C	2247173885	DSURXSFZZRDRHQ-OAGGEKHMSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)[C@H](C)C(C)(C)C	2248841752	OZHQVYRAJGZWMC-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
CCCN(CCCCC[C@@H]1C[C@H]1C)CC(C)C	2248845482	QCCCOXQABUOIHO-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1CCCC(F)(F)C1	2250357729	XMIZTCSKIHFVLA-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](O)C1(C)CCC1	2250496687	UOTFMXOWJWRPDL-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](NCC)[C@@]12CCCC[C@H]1CC2	2251107003	UAEVQFDUPUXHCG-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)CCCC23CCC3)C1	2253933802	ZBFVOPWJTPAZTP-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@@H](N)C23CCC(CC2)C3)C1	2253939397	SFJQHSDCMPKKOT-HGHNZHKBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H]1CNC2(CCCCC2)C1	2254503877	RLDFSLBBRTZFBG-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC12CCC2)C1(CC)CC1	2255027795	WOQMXOMJDCKZDI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(CC1=CCCCC1)c1ccccc1	2255139713	DPFKPOMUUAVGET-KRWDZBQOSA-N	243.394	4.531	0	10	BJAE	
CN(CC1=CCCCC1)C1CCC2(CCC2)CC1	2255204391	YVSOJRJIKGYWID-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@@H]1C)[C@]1(C)C=CCC1	2257240867	MNLFLJGADOUUBW-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CCC(=O)[C@@]12CCCC[C@H]1CC2)C1CC1	2260534881	COSUYSVNAPWUCO-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@]12CCC[C@@H]1CC2	2260544242	MGOPGTPLZKFYMZ-INMHGKMJSA-N	246.394	4.662	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@]12CCCC[C@@H]1CC2	2260588966	VOADEPLLLDRFCQ-JKIFEVAISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@]12CCCC[C@H]1CC2	2260655599	DBEMBEAQSMKYQM-UAGQMJEPSA-N	249.442	4.645	0	10	BJAE	
C(=C/c1ccccc1)\CC[C@H]1C[C@@H]2CC[C@H]1C2	2298433871	QNNQZLRTKXNSEA-QRUNAMSGSA-N	226.363	4.916	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@H]1CC12CCCC2	2300497523	UQBGEKXKGKYKGS-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H]1CC(C)(C)CC[C@H]1CN	2300699337	FPKDJWNSMSJTLG-GJZGRUSLSA-N	239.447	4.604	0	10	BJAE	
CC(C)CCCNc1cc(F)ccc1C(F)F	2300830145	HOYHGVYEEHGSTB-UHFFFAOYSA-N	245.288	4.611	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCC=C(C)CC)CC1	2300869481	JEIZIACDOFSPGV-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)CC1CCCCCC1	2301201517	NFBYPZPJQYNVKN-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](NC)[C@@H](C)[C@H](C)C(C)C	2301837916	CMUQWSZTMXCNQT-QKPAOTATSA-N	241.463	4.575	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@@H](C)[C@@H](C)C(C)C)CC1	2301964814	NMGRXVZDPFCVOF-AJNGGQMLSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)[C@H]1CCC[C@@H](C)CC1	2301978226	MTZKPFCGBHIALF-UGUYLWEFSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CCCC1=CCCCC1	2302357383	XYTVAHJSEFXMGX-ZBFHGGJFSA-N	237.431	4.811	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N1CCCC1=CCCCC1	2302357944	AVXIZRXFQGASFD-GDBMZVCRSA-N	235.415	4.530	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CC1(C)CC(C)(C)C1	2302612111	VHZICUDOWFCYDL-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](O)CC[C@@H]1CC[C@H]1C1CC1	2303064574	BTUUUUAOHUONPA-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@H]1C(C)(C)C	2303393825	VKYLPQMOELMLIL-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@@H]1CCC(C)=C(C)C1	2303532780	RYLSTXRCVDKXFM-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCCCC[C@](N)(CC1CC1)C1CC1	2303736008	OIMJLBRFPUQYAR-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@H]1CCC[C@H](C)C1	2306829862	BLEUCZBHIPLWOO-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@@H](C)C2)c1F	2307559032	IUVOLKSPAZVTLD-VXGBXAGGSA-N	235.346	4.550	0	10	BJAE	
CCC[C@H](CC)CC(=O)CC12CCC(CC1)C2	2307760010	CTGONIWMJAZVGL-HLIUYOAVSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCC[C@H]1C1CC1	2307833057	YKLRMBSXFKYESR-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@]1(C)CC1(C)C	2307893963	KDDHLCIRPKSYAK-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC1CC1)N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	2308397649	UWJHTSVDEYLACT-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309165261	GVYQJWDIFZCWQO-MXGMQVIZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)[C@H]1CCCCC12CCC2	2310427263	WTMDNUYBWWSHMV-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313198030	DRZKUDQRCGSBCC-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1C[C@@]12CCCC[C@@H]1CC2	2313333117	FDFHNDGHPDLJCR-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H](C)CC1CCC1	2313623515	VJYDENISMKLESR-CYBMUJFWSA-N	244.378	4.648	0	10	BJAE	
CCc1cc([C@@H](NC)[C@H](C)C(C)(C)C)ccc1C	2314691008	UCXTVFWDOGTSDF-BBRMVZONSA-N	247.426	4.500	0	10	BJAE	
CCC(C)=CCN(C)CC[C@@H]1CCCCC12CC2	2316521204	WBWUYDJDDHAPJQ-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@@H]1CC[C@H]2C[C@H]2CC1	2317023601	ZMRSYMOKUIBYFE-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317213603	IGGNOIWUSJJMMA-KLHDSHLOSA-N	248.410	4.620	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@H](C)[C@@H](C)C(C)C	2317828009	OZVPBKNEIYLAJG-VBQJREDUSA-N	247.426	4.738	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(N)CCC=CCCC2)CC1	2320412948	QHQHKCPKYFQATB-DLBZAZTESA-N	247.426	4.731	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@H]2CC[C@@H](C)C2)c1	2320573673	BEVSDZVEBIIGBK-ZIAGYGMSSA-N	244.378	4.819	0	10	BJAE	
CC(C)c1cccc(C[C@@H](N)CCC(C)(C)C)c1	2320647994	HCGAMRPTQQXWEY-INIZCTEOSA-N	247.426	4.506	0	10	BJAE	
CC1(C)CCC[C@](C)(N[C@H](CC2CC2)C2CC2)C1	2320692466	OOQDCKWTKLKGMR-WBVHZDCISA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)[C@]2(C)C=CCCC2)C1	2321603974	XLVIVJXGLRPLSY-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CC(C)CC12CC([C@H]3CC(=O)CC(C)(C)C3)(C1)C2	2321642624	PYXRAORVGRZDHG-IGEOTXOUSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCC2(C)C)c1F	2327811659	NSNROALLNMMVCT-AWEZNQCLSA-N	249.373	4.940	0	10	BJAE	
CCC[C@H](CC)CN1c2ccccc2CC[C@@H]1C	2328101339	IHVGCACGMKVKPE-GJZGRUSLSA-N	245.410	4.654	0	10	BJAE	
Cc1cccc(N[C@H](C)c2cc(C)ccc2C)c1	20561609	DTTHDCIXHLDPCS-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1ccc(Cl)c(Cl)c1	20565850	NBNHYOJGTAFTJC-IUCAKERBSA-N	246.181	4.840	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)c1ccc(C)c(C)c1	35457129	FPUABWPGBVCZSW-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
CCCCC[C@H](NCCC)c1ccc(CC)cc1	35582579	JLHRTMYVUMFTOA-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@@H](C)C1CCCCC1	37220828	AERSRJUXXCVCKG-LSDHHAIUSA-N	245.410	4.614	0	10	BJAE	
Cc1cccc(CSCc2cccc(C)c2)c1	39291019	GFMUOQOMXUABTL-UHFFFAOYSA-N	242.387	4.737	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)c1cc2ccccc2o1	62797772	SXIRGMGEOFKCLO-JSGCOSHPSA-N	245.366	4.520	0	10	BJAE	
CC1=CC[C@@]2(C)CCC(C(C)C)=C2CC1	85934995	MGMBZNCFUFRSSP-HNNXBMFYSA-N	204.357	4.869	0	10	BJAE	endogenous,in-man
CC[C@H]1CCC[C@@H](Nc2cccc(F)c2C)CC1	86907300	MJDYHTHQJDWVQX-UONOGXRCSA-N	249.373	4.905	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@H]1CC[C@H](C)C1	87991897	WKIXYDMKMZUHKF-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](NC)c1ccc(C(C)(C)CC)cc1	90483226	JMSVVKXZNLKFGK-XJKSGUPXSA-N	247.426	4.681	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CCCCC1(C)C	94323873	RGYMJLSVVNLKNI-OKILXGFUSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](c1ccc(C)c(C)c1)C(C)(C)CC	110212633	WXWGSJCQIFMLBL-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)c1cccc(C)c1	110229558	VBIGWYQSIYUVTC-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CC(C)(C)CC(=O)c1ccccc1C(C)(C)C	116378560	LVRPOXOXSAHUCA-UHFFFAOYSA-N	232.367	4.603	0	10	BJAE	
CC1(C)CC(Nc2ccccc2)CC(C)(C)C1	124718349	QMGRDDKHHXIPSE-UHFFFAOYSA-N	231.383	4.703	0	10	BJAE	
Cc1cc(F)cc(NCCC2CCCCC2)c1	125114291	KPDWZJSBKTXNIS-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
Cc1cccc2c1ccn2C/C=C/c1ccccc1	128823040	VMROBGCODPFFCZ-UXBLZVDNSA-N	247.341	4.663	0	10	BJAE	
CCCC[C@H](NC(C)C)C1CCCCCC1	129543145	NZEYFWFMFRFYLG-HNNXBMFYSA-N	225.420	4.514	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@@H](C)CC(C)(C)C	133353877	WHMSWBBGDWEBFH-OCCSQVGLSA-N	227.436	4.602	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@H]1CCCC[C@H]1CC	166800109	JACMZNUUNGHZKN-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CCC1CCCC1	167169618	WYRLRTRNYNCDNL-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1cccc(Cl)c1	168981891	BDSKFKWFZLUMRB-CQSZACIVSA-N	240.774	4.590	0	10	BJAE	
CCC(C)(C)CNc1ccc(C(C)(C)C)cc1	202162176	KJQXBIHVLBRLNT-UHFFFAOYSA-N	233.399	4.832	0	10	BJAE	
CN[C@@H](CCCC1CCCCC1)c1ccccc1	203535082	ACBDNHGMJQDGOK-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CC(C)(F)C1(c2cccc(Cl)c2)CCCC1	220782795	YXYVRKPQEYGXGX-UHFFFAOYSA-N	240.749	4.900	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CCC1CCCCC1	223256178	YQCJXRISMHWNLQ-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)Cc1ccccc1	225969994	YBSWSSAKCCYZHX-RDJZCZTQSA-N	247.426	4.566	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@@H]1CCCC1(C)C	226827419	HIHQYWFTDUYYIX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](c1ccoc1)[C@@H]1CCC[C@@H](CC)C1	227006869	MYGKNINKYWNXJH-IIAWOOMASA-N	249.398	4.537	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCCC(F)(F)F	229359889	JJABGJSCGVSVPV-SNVBAGLBSA-N	238.293	4.505	0	10	BJAE	
O=C1CCCCC[C@H]1c1ccccc1C1CCC1	229625643	DAVQFKFUQJJTTR-INIZCTEOSA-N	242.362	4.571	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H](C)CC1CCC1	229698588	KSIALQMHCSUYPD-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCCCC[C@]1(O)CCC[C@H](CC(C)C)C1	230784859	XILWMFPSLLUUCE-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)Nc1nc2ccccc2cc1C	230962493	NQAIRYOZAOLMKS-UHFFFAOYSA-N	242.366	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCC[C@@H](C(C)C)C1	230995104	XEIXIQYCSSKMCG-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
C/C(=C\Cl)C[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	232007191	DSRQZWPRCWPXOR-ZGFRAZBVSA-N	242.790	4.551	0	10	BJAE	
CC[C@H](NCC1(C)CCCCC1)c1ccccc1	234030525	MDIFAWHORVUIQS-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
C[C@@H]1CCC[C@H]1c1c[nH]c2ccc(Cl)cc12	235277569	GBJFMJJBTZUNMQ-MWLCHTKSSA-N	233.742	4.725	0	10	BJAE	
CC1(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCC1	251144067	JQYUYRDXPXJUTK-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CCC2CCCC2)C[C@H]1C	253198587	VTPYPRDXLUIOPF-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@H](C)C2)c1Cl	300838499	DTKFWVXJZXRZAU-JQWIXIFHSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(N)cc1S[C@@H]1/C=C/CCCCC1	302329817	CZBUTAAPDGXPJJ-HZRUHFOJSA-N	247.407	4.558	0	10	BJAE	
CCCc1ccc(NCCCC(C)(C)C)cc1	302354793	WZLRKYOAMGVFDW-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CSc1csc2ccc(Cl)c(S)c12	306603000	DFGQHFCSUKQEFU-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@H]1CCC[C@@H](C)C1	310434823	QZRHGOSRKUFETO-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CNC(C)(C)C(C)(C)C)C1CCCCC1	310551074	GKWGTYQOPNCBSS-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC[C@H](N)c2ccccc2)C1	310744409	IKWKXNUJZBWBHX-INMHGKMJSA-N	245.410	4.683	0	10	BJAE	
CCCCC1CCC(C(=O)[C@@H](C)C(C)C)CC1	320133235	ZPYHATLLQYFRJF-NFOMZHRRSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C(C)(C)C1CCC1	322599373	MKKYQUCKKMTRLM-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C(C)C)C1CCC1	324880734	DLZIBLRSWURODA-GDBMZVCRSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@H](CC1(C)CCCC1)NCC	380181918	OSXRXCGYXOOUBF-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC(C)Oc1ccccc1NC[C@@H](C)C(C)(C)C	380984890	FKYRLSYKNVGEOQ-CYBMUJFWSA-N	249.398	4.568	0	10	BJAE	
CC[C@H](NCCC1(C)CCCC1)c1ccccc1	381302749	AYPWVSCUTNRHAH-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
NCC1(C2CCCCCC2)CCCCCCC1	383274346	HPZUTTDAPXFNRK-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(O)CCCC[C@@H]1C(C)(C)C	383513364	HCKIVHDJMFEWTC-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)C(C)(C)C(C)(C)C	383867723	PDNFCHGTIUNVHE-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@](O)(CCCC(C)(C)C)Cc1ccccc1	384547640	IKXRQNCMKICUDC-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCC2=CCCCC2)[C@H]1C	384999530	VGMRLSAMMPDQRY-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](N[C@H](C)CCC(C)(C)C)c1ccco1	386322712	YOLZCEGOZMZRAK-OLZOCXBDSA-N	237.387	4.535	0	10	BJAE	
Cc1c(F)cccc1NCCC1CCCCCC1	394635934	SNXRQDWCPZRZDS-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
C[C@@H](C[C@@H](O)C(C)(C)C(C)(C)C)c1ccccc1	395271565	YARYPQNGALKQCB-DZGCQCFKSA-N	248.410	4.613	0	10	BJAE	
COc1ccc2scc(Cl)c2c1C(F)F	396182365	JXDBSZVNUWONJX-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CCC)[C@@H]1CC1(C)C	397699758	RAUFRVHCEZTTSQ-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCCCc1ccc(NC[C@H](C)C2CCC2)cc1	398620314	FCLGTUXMUADGSA-AWEZNQCLSA-N	245.410	4.877	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@H](C)C(C)(C)C	399087873	AJXWRZZHTZYVSN-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC(C)(C)C(C)(C)C	401967546	WDZIPTUGIGZOAI-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)CCNc1ccc2c(c1)CCCCC2	404631562	HBBLZGDBWDYGKC-AWEZNQCLSA-N	245.410	4.804	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)c1coc2ccccc12	404647945	PJEWKXVJNFYBOE-CQSZACIVSA-N	246.350	4.539	0	10	BJAE	
CC[C@]1(CCC(C)(C)C2CC2)CCCCCN1	406065636	OKETUYNLFUTQGD-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)C1([C@H](O)CCC2CCCCC2)CCC1	686927984	BUVGYUWZPUDPQH-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC(=O)C1(CC)CCCC1	696667343	YVSWJFGDKCKLKD-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC(C)(CC)[C@H](NC)c1coc2ccccc12	701128548	HTQBYQYJOLEOTK-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)C(C)(C)CC	701172818	WQMLBWXESXUNTC-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)NC[C@@H](C)[C@H](C)C[C@@H](C)CC(C)(C)C	709074328	BKOWUYROOQOADG-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)C[C@@H](C)CC(C)(C)C	709188915	OVBUGGKAENTDLU-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C[C@@H](O)CCC=C(C)C)C(C)(C)C	711053452	NMKMWZBTNMJRBE-KGLIPLIRSA-N	226.404	4.556	0	10	BJAE	
C=C/C=C/CCC[C@H](CC)CC(F)F	713678095	MLQKPSKZSXEYDY-QRGHLMKCSA-N	202.288	4.580	0	10	BJAE	
C=C/C=C/CC[C@H](NC)[C@@H](CCC)CC(C)C	713683587	LVMQCDJVIFLHHZ-FHQWLQQXSA-N	237.431	4.559	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)C1(CC)CCCC1	713759741	FGWRBTMHCRIATI-KXPUMZMLSA-N	249.442	4.847	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]21)C1CCCCC1	714313799	CSWROQVQSZSEBF-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCNCC[C@@H](C)c1ccccc1	718560505	BBHQGIIDLCLOBY-MRXNPFEDSA-N	245.410	4.516	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1CC2CCC1CC2	719265551	IVABMGMSMDPAIC-SSHXOBKSSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC[C@@H]1CCC=CCCC1	1474745773	IKIVZUKXTUHRLN-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2CCC[C@H](C(C)C)CC2)CC1	1560774785	SBXGGPNNJWWLAR-BBWFWOEESA-N	249.442	4.680	0	10	BJAE	
C1=CCC[C@H](CNC2CCCCCCC2)CCC1	1660873062	IHOOXGSLDIGUIU-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C[C@H](CC1CC1)n1ccc2ccc(Cl)cc21	1899434026	URDUKLBBSFQWRT-SNVBAGLBSA-N	233.742	4.656	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCC(C)(C)C1	1900698029	SITVCKDNASNOJB-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCNCCCCC=C(C)CCCC(C)C	1900889069	IDGYDPWMDMHTDU-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)[C@H](C)[C@H](C)C(C)C	1901703419	PALLNKWZMTURDC-MGPQQGTHSA-N	226.404	4.556	0	10	BJAE	
CCc1cscc1N[C@H]1CCC[C@@H](C)CC1	1902390343	JMJFYVSJVQYSSA-YPMHNXCESA-N	237.412	4.691	0	10	BJAE	
CCC[C@@H](CC)CCC[C@H](NC)C(C)(C)C	1905447172	VXPDPNSHYOPCNW-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H](CC)CCC)NC	1905455278	YXRDQUALSQXYPI-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CCCC1CCC1	1907594149	MMJZRFCWSOAJTP-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@@]12CCCC[C@@H]1C2	1909893876	SKGXLIQJPVWKEG-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCCNc1ccc(C(C)(C)C)cc1	1912061339	XNQSEZRJDRDUPN-UHFFFAOYSA-N	229.367	4.528	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1CC2(CCCC2)C1	1912648201	MXJBRJQTWAXLHI-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1CC2(CCCC2)C1	1912739088	RKPPHUUGJLVWGW-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)CC[C@@H]1CC(C)(C)CC	1916055818	KBNADJMKHILAKM-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](O)(CC)c1ccc(C2CCC2)cc1	1919477140	GYFZPZBMGQMVCN-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H]1C[C@H]2CC[C@H]1C2	1919970427	RMGYFXGNOHLNNM-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CCC[C@H](C)C1	1919973801	JLIWUICVCWKKRM-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@](C)(N)CCCC(C)(C)C	1920193523	KNSOBUKDZUXWJN-HNNXBMFYSA-N	227.436	4.891	0	10	BJAE	
CC[C@@](N)(CC(C)(C)C(C)C)c1ccc(C)cc1	1920489027	JLGGFIFQWLPNDP-QGZVFWFLSA-N	247.426	4.631	0	10	BJAE	
CCC1CC(CN[C@H]2CCCC23CCCCC3)C1	1921247325	SRIASWJFVWHQIQ-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CC1(CN)CC(CCC)C1	1921305666	NHNVTYRQRQXXLU-FHERZECASA-N	239.447	4.748	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC[C@H]1CC1(C)C)NCC	1921567522	KUWHAGGZPWKNBO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H](CC)C(C)C	1941266735	JEAYTPRFDXUPJG-HOTGVXAUSA-N	237.431	4.559	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCCC2CCC2)CC1	1941469899	JPLGXMCBIWAXMX-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCCC[C@@]1(F)CCCCC[C@H]1N	1943936893	KWXXICUNMHSSJJ-HUUCEWRRSA-N	243.410	4.593	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@H]1CC12CCC2	1944508916	BTJGAQBIRHTPIV-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H]([C@@H](C)CC)C(C)(C)C1CCCCC1	1944632205	QNIHDSQBPYXRDI-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CCC[C@@H]2CC2(C)C)C1	1945587551	ZETZJHSCGQXFNY-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC)c1cccc2sccc12	1945971282	YNUAEWFIVCPOPJ-CQSZACIVSA-N	247.407	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC1CCCCCCC1	1947454272	RBDVWKGGQISXHO-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
CC(C)[C@H]1C[C@H]1NC1CCCCCCCCC1	1947880150	FKVGOHQNTXSXBE-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CCCC1CCC1	1949008068	SLCKRULBCCTMIR-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)[C@H]1CCC(C)(C)C1	1949551648	LTHBUCBMJNFKPX-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@H](CCC2CCCCC2)NC)CCC1	1951243373	HARBALZYUVPRBG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC=CC[C@H](CCC)c1ccc(OC)cc1	1951308888	PRTKXQVHNLPBTN-AWEZNQCLSA-N	232.367	4.935	0	10	BJAE	
CCCc1ccccc1CN[C@H](C)C(CC)CC	1966187479	LBAHZXCTKXYEKS-CQSZACIVSA-N	247.426	4.553	0	10	BJAE	
Cc1ccc2cc(-c3csc(C)c3)ccc2n1	1969729492	SPGPLJVRGZLYGD-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1N[C@H]1CCCCC12CC2	1972742814	ITRMOEQKYAOVEE-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCC/C=C/CNc1ccc(Cl)c(Cl)c1	1974575867	MNWYHSHBKIKYSJ-SNAWJCMRSA-N	244.165	4.762	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)CCC1CC1	1975835940	JYMQSPUJUMEIFP-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C1(C)CCCCCC1	1978449601	AKAWVZADVIZCJJ-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](NC)C(CC)(CC)CC	1978540235	MEGBAPQHHASTRQ-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C1(N)CCCCCCCC1	1980337018	PUFKMNVSPKAJPG-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H](C)C2(C)CCC2)c1	1981367688	BFUCYCXCTPNSAO-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCC[C@H]1C	1990093087	HJLJMXVYUYTKTD-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H](C)CC(C)C	1995213889	HORZQHJVEWYVLH-UONOGXRCSA-N	226.404	4.844	0	10	BJAE	
Cc1cccc(C)c1N[C@@H]1C=CCCCCC1	1995680397	NXJBLURQDUPWPQ-OAHLLOKOSA-N	229.367	4.604	0	10	BJAE	
C[C@@H](CN(CC(C)(C)C)C1CC1)CC(C)(C)C	1995795939	AQQWXEAENJMOSA-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCCCCNC[C@H]1CC[C@@H](C)C1	1996222911	OKEJSSXJGUKYJV-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC[C@](O)(C[C@H]1CC[C@@H](C)C1)C1CCCCC1	1996553080	OAZXGIISQNSGBP-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(O)C1CCC(C)(C)CC1	1996561596	NVASNVBKDNQHIC-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1996612152	HKJCETBZJDEYLZ-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CC2CCCC2)CC1	1997117782	SXJWIBZAKNCANN-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
O=C(CCC1CCC1)c1cccc2sccc12	1998036053	CUOAPYKSNKIKOX-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@@H]1CCCC(C)(C)C1	2000052688	XJRCVZAKDCZXKA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccc(C(F)F)cc1	2000190895	VAXPXKMPGVTHNT-JTQLQIEISA-N	240.293	4.633	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@H]1CCC[C@@H]1C	2000314024	WXLIPJPPPUBLJQ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)C1CCCCCC1	2000320389	ABNBYWVMFYLBBL-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CCC(C)=C(C)C)CNCC	2000505409	QTJVBOWRUGIUAM-MRXNPFEDSA-N	239.447	4.929	0	10	BJAE	
CCCC[C@@](CC)(CNC)C[C@H]1CC=CCC1	2000506004	XDFMFZYBQZQYNP-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@H]1CC12CCCCC2	2001222719	ZJOSREIOTOSTFO-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC1(CC2(CNC(C)(C)C)CCCCC2)CC1	2002519955	QPVOQVBXYGRFTC-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c2c(Cl)c3c(nc2c1)[C@@H](C)CC3	2002854706	ZNWFGGRTDWRWBU-VIFPVBQESA-N	245.753	4.555	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)CCCC2CC2)C1	2002997813	GLROSEDIWCSGPN-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@H]2CCCCCCCC2=O)CCC1	2003069717	BWETVQOJVGXUNX-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@@H]1C=CCCCC1	2003105703	JKUKDKPCDOXEDA-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
CCCC(CCC)[C@@H]1[C@@H](C)CNC1(CC)CC	2004706644	OZYHZWHFDFKEHG-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)C2(C)CCC2)c(C)c1	2004833770	LHHVOHNGLSHFME-CQSZACIVSA-N	231.383	4.602	0	10	BJAE	
c1sc([C@H]2CCCCC23CCC3)nc1C1CC1	2005567353	PYSNAPBSTJPHCQ-GFCCVEGCSA-N	247.407	4.848	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H]2CCC[C@H]2C)cc1	2006726279	MHELUKSFQCQKQW-WOSRLPQWSA-N	232.367	4.768	0	10	BJAE	
CC1CCC(C)([C@@H](O)CC(C)(C)C(C)C)CC1	2007695092	IXYBOKJWGDKDFJ-BBBYJDLNSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C(C)(C)C(C)C	2009630358	WBBVSRJHCHTJTN-LOWQCSRCSA-N	239.447	4.783	0	10	BJAE	
CCCCCC1CC(N[C@H](C)C2CCCC2)C1	2009715293	CGEFPUSVGGOOGH-VQCLRJIVSA-N	237.431	4.514	0	10	BJAE	
C=C=CC[C@H](C[C@@H](C)CC(C)(C)C)NCCC	2009744655	OAOSCQUWNXICQH-HUUCEWRRSA-N	237.431	4.548	0	10	BJAE	
CC(C)[C@@H]1NCCC12CCCCCCCCC2	2010952426	BVVOMFJJUQUKFL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCCC(C)C)CCC[C@H]1C[C@@H]1C	2011580350	CCXKXNDUZPZAMV-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H]1CC(=O)CC2(CCC2)C1	2012084771	RGRNXDQZAZMXSS-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@](CC)(CCCCCF)C(C)C	2012424021	CHKVRNGKWLBTIV-OAHLLOKOSA-N	245.426	4.568	0	10	BJAE	
C=C=CCC[C@](CC)(CNC(C)(C)C)C(C)C	2012424765	GJDGSXGVWWWPPW-MRXNPFEDSA-N	237.431	4.548	0	10	BJAE	
CC(C)NC[C@H](CC(C(C)C)C(C)C)C(C)C	2015413913	YYTSGNOOJSZVHL-HNNXBMFYSA-N	241.463	4.575	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCC[C@H](C)C2)CCC1	2015598291	SJUBUQKSKMNOHF-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1(C(C)(F)F)CC1	2016725451	SGFIXCBOZGQCHG-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C[C@H]1C[C@@H]1CC	2016851276	GKZAZGKUIMPNDV-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CN(CC)CC1(C(C)C)CCC1	2017125605	PLQFSCIQPLZKLB-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC(C)=C(F)CN(C)[C@@H](C)C1(C)CCCCC1	2017467337	VTENOWXOBJLAEI-ZDUSSCGKSA-N	241.394	4.541	0	10	BJAE	
CCC1CCC(C[C@H](O)[C@@H](C)CC(C)C)CC1	2017648343	MOCSDWCIAVLZCF-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@](O)(CC)C[C@H]1CC[C@H](CCC)CC1	2017650586	IRWNECJBXLSMSY-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(N)CC(C)(C)C)CC1	2017728738	OPAJGRYHVTWLRZ-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C)CNC(C)C)CC1	2017729536	XQEFPIJATDZARF-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@H]1CC[C@H](C)CC1	2017771824	MYPZPFBFRBQLJD-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@]1(CC)[C@H](CNCCC)C1(C)C	2018133656	GYXBVIVFRPEQEP-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CC(C)=C[C@@H](C)C2)CC1	2018956542	LTNRZZVMXVCNQN-OCCSQVGLSA-N	234.383	4.518	0	10	BJAE	
CCC1(C[C@H]2C[C@H](C)c3ccccc3N2)CC1	2019002713	UQIHTMRMGQLPLB-QWHCGFSZSA-N	229.367	4.555	0	10	BJAE	
CCCCCN(C(C)C)[C@@H]1CC[C@H](C)[C@@H](C)C1	2019124892	VEOJCNODYVRTPT-HRCADAONSA-N	239.447	4.712	0	10	BJAE	
CC(C)CCCCCN(C)CC1(C(C)C)CC1	2019344280	LGUDZHPLNGDPDL-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
C[C@H](CC1(O)CCCCCCCC1)C1CCC1	2019776037	BXVSBSAZVZMCBN-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCc1cc(Cl)c2cccc(C3CCC3)c2n1	2021027241	TWULXCMXPBKZPT-UHFFFAOYSA-N	245.753	4.718	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CC[C@H](C)C1	2023318755	JBACRIZXRHZQNZ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2CCCC(C)(C)C2)C1	2024095014	OHSQYXDOXVCOKD-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@H]1CCCC(C)(C)C1	2024095426	RBVUNSKSEFBZNT-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1CCCC(C)(C)C1	2024102288	RAXKVEKJEMCBLC-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCc1ccc(C(=O)[C@@H](CC(C)C)C(C)C)cc1	2028257214	HPMBHBIEYHCKBW-INIZCTEOSA-N	246.394	4.750	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)[C@@]12CCC[C@@H]1C2	2028630308	ZGSVAKUOPXSVFY-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(CC2CCC=CCC2)CC1(C)C	2028875256	GKMQXMAAWJHNEX-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2CC3(CCCCC3)C2)CC1	2028881845	VEQGJGBBUMEITI-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1CC[C@@H]2C[C@H]2CC1	2028968103	PFAMDUGYEPFLGA-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](NCC1(C2CCCC2)CC1)C1CCCC1	2029739443	AUVNOUIBQTZDKL-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@]1([C@H]2CCC3(CCCC3)C2)CCCN1	2037591405	JAAGKIKHSVPUKD-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC1CCCCC1)[C@H]1CCC2(CCCC2)C1	2037751427	GWLVPJOMGTZDDK-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@@H]1CC)c1ccccc1	2038139745	XXZYSVNXPLKDGE-BHYGNILZSA-N	245.410	4.554	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@@H]1CCC2(CC2)C1	2038568272	PDWQECKZWBTBJY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@H]1CCC[C@@H](C)C1)C2	2038935049	XMWSASAKLQLMPL-QZAQUIPZSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CCNc1ccc2ccccc2c1)C(F)F	2039981658	MEYCYPYGQSKMOQ-LLVKDONJSA-N	249.304	4.543	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@]1(C)CC=CCC1	2042067819	PGVHHMZLMFLNKT-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(C)Cc1cccc(C(=O)CCC2CCC2)c1	2042745148	QMOOTTVVONWYBC-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)C[C@@H](C)c1ccccc1	2045558131	ANEKPHQZVXFAHX-LZWOXQAQSA-N	244.378	4.576	0	10	BJAE	
CCN[C@@H](c1ccccc1)C1(C)CCCCCC1	2045797582	SMYUHLRDDFCHGR-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
C[C@@H](C[C@@H]1CC12CCCCC2)c1ccc(N)cc1	2047021365	WINMUBUYHOALAS-DZGCQCFKSA-N	243.394	4.733	0	10	BJAE	
CC(C)CC1(C(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)CCCC1	2047349183	YKEXSDZKRXKFNU-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@]1(C)CN[C@@H]1CCCCC12CCCCC2	2047598415	XZJJFIOMVBHHBF-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CCC2)C1)[C@H]1CCC[C@@H](C)C1	2049533110	OTBMTLKCLGUSEA-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@@]1(C)C=CCCC1	2050007650	QONHOUOJYMTDTQ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)c1cccc(F)c1	2050491563	GQPQGRCETJVBLP-INIZCTEOSA-N	249.373	4.576	0	10	BJAE	
CC[C@@H](C)[C@H](C(=O)CC=C(C)C)c1ccccc1	2051381642	VXHXOWFDFPQGKM-PBHICJAKSA-N	244.378	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@@H]2CCCCC23CC3)C1	2053354072	CJXLQDQHURGDQQ-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CCCCCC2(C)C)CCC1	2055548086	YCUUFYDNSIPIES-HZPDHXFCSA-N	249.442	4.824	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2(C)CCC3(CC3)CC2)C1	2056535510	DWSJDRPZFPDCPF-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CCC[C@H]1C	2060921181	JMSAFFBTFIJOOW-XOSAIJSUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)C2CC(C(C)(C)C)C2)CC1	2061144764	TYJMYXMNVLGJSD-TWRYWWQQSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CC[C@@]12CCC[C@H]1C2)CC1(C)CC1	2061637689	LKVFAAZSCVWHNX-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC1([C@](C)(O)CC2CC(=C3CC3)C2)CCCCC1	2061685640	UAQHFMLMBPCWHA-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
FC(F)c1ccc(NCC2CC(=C3CC3)C2)cc1	2061723523	RPEUGVNLASTERZ-UHFFFAOYSA-N	249.304	4.537	0	10	BJAE	
CCCC[C@@](C)(CNC)CC1CC(=C2CCC2)C1	2061739688	QAVLAJVDZBXMEH-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)[C@H]2CCC2(C)C)c(C)c1	2068288830	SPAJVGYCYOXSSG-HUUCEWRRSA-N	245.410	4.848	0	10	BJAE	
CC(C)c1ccc([C@](C)(N)C[C@H](C)C(C)C)cc1	2069018880	LPDOSVAVLGTNQX-WMLDXEAASA-N	247.426	4.666	0	10	BJAE	
CCCC1(CC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CCC1	2069267652	DUYQYDAFPDYRDA-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC(=O)C1(CC2CC2)CC1)C1CCCCC1	2069502948	CEPSFCNVCRVHFJ-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](N[C@H](C)CCC=C(C)C)c1ccccc1	2070413068	IHSLFRBNFRNBRU-NVXWUHKLSA-N	245.410	4.862	0	10	BJAE	
CCCN[C@H](C[C@]12CCC[C@@H]1C2)C1(C)CCCC1	2070960484	WVHZNIQAGJOPGV-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2c(ccn2CC2(C(C)C)CCC2)c1	2071926635	ROWOLVCAQZJYIJ-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
Cc1cc(F)cc(NCC2(C(C)(C)C)CCC2)c1	2071953911	QJDVWVSTMBYALV-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](NC)[C@]2(C)C=CCC2)CC1	2072794958	ZFRZSGVDAGLXQJ-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CCCC23CC3)CC1	2072806332	KXOLDOMDACAKMB-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)[C@](C)(N)c1ccccc1C1CCC1	2072914008	YBYWRCBPDQWPDC-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(C2CC2)cn1	2073294800	RWQXMGBSGIOSSF-OAHLLOKOSA-N	246.398	4.730	0	10	BJAE	
Cc1cccc(F)c1C(=O)C[C@@H]1CCC[C@@H](C)C1	2075976880	NEDJZWMLHLPRKC-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
CCCCN(C[C@H]1CC12CCCC2)C1CCCC1	2076591264	LQWXACMTZDZUNY-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1	2077357253	DKQPQGQBJYLXBV-DZKIICNBSA-N	243.394	4.540	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]1C1CCCCCC1)C1CC=CC1	2079860490	DMQPHNWPMDPUGL-JKSUJKDBSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H]1CCCCC1(C)C	2080221393	SFAFHGNLEWZJAD-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@H](C)CC(C)(C)C	2081218978	PGSKLAZGPUCYDG-KGLIPLIRSA-N	247.426	4.724	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CCC[C@@H]2C[C@H]2C)c1	2082949510	WZFHJIOSYSDULJ-UKRRQHHQSA-N	244.378	4.621	0	10	BJAE	
COc1ccc(F)c2c(C3CCCCC3)coc12	2086721259	XPKWDTCNCQJHIR-UHFFFAOYSA-N	248.297	4.628	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218359593	SPDVUMBCOQAPNZ-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCC1CC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218359920	WKKITAWVLAVETK-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C1CC2(CCC2)C1	2218723771	HKSOWCMOYKSCLN-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
NC[C@H]1C[C@H](CCCCCCC2CC2)C12CCC2	2218723857	DQJIGYOUMNLBRS-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](CCC(C)C)NC/C=C/c1ccccc1	2219045705	GIUDZVOFUYYSKY-YRYLYKBFSA-N	245.410	4.504	0	10	BJAE	
CC(C)c1cc(NCCC2CCCCC2)ccn1	2220886350	WPMNIDQHYGJBAW-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CCCN[C@@H](C1CCCC1)C1(C)CC2(CCC2)C1	2220998408	DANPUVFTJJZUOW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(C)CC2(CCC2)C1)C1CCC1	2221015168	VNLVMTOUCYGAHX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(C(=O)[C@]2(C)CC=C(C)CC2)cc1	2221644190	RHGBNPAQEQRGEK-QGZVFWFLSA-N	242.362	4.568	0	10	BJAE	
CCCC1(CNC2CCC2)CC2(CCCCC2)C1	2223568313	FOCQQJFTVSONRE-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cc(Cl)ccc1C	2244781881	FOJWBXPZQGQQAS-LLVKDONJSA-N	238.758	4.657	0	10	BJAE	
CCCN[C@H]([C@H](CC)CCC)C(C)(C)CC	2244785098	VZJBRSZEOMLSBE-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCCCCC(C)C	2244787961	LEDGYXXRVIBXCO-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](C)C(=O)CC[C@H]1CCCCC12CC2	2246605240	CTQRCRPCJCBSOR-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC[C@](C)(CCCC[C@H]1C[C@@H]1C)CNCC	2247162369	BQJWQLCFXJYFJA-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@@]1(C)C=CCCC1	2247169484	CYQCWQMHTYAYQP-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
CCCC1(C(=O)CCCC[C@@H]2C[C@H]2C)CCC1	2247175678	KOEMXTQFWIADPX-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2CCC2(C)C)CC1	2247446720	JUZATVBSUDCQHL-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C[C@H]1CCCC12CC2	2247649549	BWOQBZASFFPGRB-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC(=O)c1ccccc1-c1c(C)sc(C)c1C	2248299118	RUNYOIPOVDRLJY-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CCCCC[C@H](O)c1cc(C)c2sccc2c1	2248583381	XASBFSYFOBKGNG-AWEZNQCLSA-N	248.391	4.823	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](O)CCC1CCC1	2248816308	RXAGLGSXIUIBIV-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCN(C)C1CCC=CCC1	2249292757	OQDNMPDHYACNAJ-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1CCCC[C@@H]1C(C)C	2250380935	JROVAGQUKHWJPL-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(CN)CC1(C)C	2250467268	OZLZZPNITDIDQK-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(O)[C@@H]1C[C@@H]1C	2250494671	XCBZAJZGPJYTQZ-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCCNC1CCC1	2250513124	DNIYQOCIPGKDLX-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)CCC1CC1	2250519044	LWUGCPNVNLSFST-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)CCC1CC(C)C1	2251758907	HCEZBXFPNUESGG-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(C)c1NC1CC2(CC(C)C2)C1	2254157509	GHHPRTIGFMNLQI-UHFFFAOYSA-N	243.394	4.548	0	10	BJAE	
CC[C@@H](C(=O)CC1=CCCCC1)c1ccccc1	2255142466	CAIZDNIKKWAJBA-MRXNPFEDSA-N	242.362	4.640	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)C[C@H]2CCCC[C@@H]21	2257313139	UUXRXJYWQSQPER-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H](C)[C@H](N)c1cccc(C2CCCC2)c1	2260661176	IEMWBOQQVULJMU-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CCC1(CNc2cccc(C3CCCC3)c2)CC1	2260663252	QTCQPMKTFCIYAU-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CCCC1CCC(N)(C[C@]23CCC[C@H]2CC3)CC1	2260671468	MRQNSSFAEADNLT-VUROTCPHSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@]23CCCC[C@H]2CC3)[C@H](C)C1	2260678186	JUUGGJVLJFNAQC-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CC1(C)CC(C)(C)C1	2300476735	GGCHSVOBJYLROD-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC(=CCN[C@@H](C)CC1CC1)CCCC(C)C	2300867546	NFDYCSZSVJKEFQ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@]1(CN)CCCC(C)(C)CC1	2300870727	XQNPXYYUGHHLAI-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
CCC(C)=CCC(=O)C12CCC(CC1)C2(C)C	2300881928	RUFNEKHYUVGEDF-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@H](CC=C(C)CC)C1	2300900866	CJICAUZSYKBANS-BZUAXINKSA-N	237.431	4.524	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CC2CCCCCC2)C1	2301147895	OCSCLPGRLCYDRH-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](N)C1(C)CCCCCC1	2301863317	CCFPYUYSMSKGIM-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C)C[C@H](CCCCC1CC1)NCC	2302573009	AILBPNXDVXKSDS-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCc1cscc1N[C@@H]1CCC12CCCCC2	2302885189	NIPONNNXQJZHCL-CQSZACIVSA-N	249.423	4.835	0	10	BJAE	
CC1=C(C)C[C@@](CO)(C[C@@H](C)CC(C)C)CC1	2303471305	ZQSDCJFYWXNMTM-BBRMVZONSA-N	238.415	4.558	0	10	BJAE	
CCC(C)(CC)CNC[C@H]1CCC(C)=C(C)C1	2303600078	CIGSXRLALMLARX-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](N)(CC)CC[C@H]1CCC(C)(C)C1	2304447541	PCNSNKMRSBHNQD-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)CC1(O)CC(C)(C)C(C)(C)C1	2307845991	SKHDBBKNLVVAOG-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)C(F)(F)CC	2307893248	HQCCQLWDOIJRIN-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CO)CC12CCCCC2	2307898630	LRIBGKJSRZTULS-HOCLYGCPSA-N	238.415	4.536	0	10	BJAE	
CCN[C@H]1[C@@H]2CCCCCCC[C@@H]2C12CCCC2	2311922951	YTTBQDJUZMQVKL-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H]2CC[C@H](C1)N2CCCCCCCC1CC1	2312599013	VAUVGAXXGFANGA-SJORKVTESA-N	247.426	4.530	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)[C@@]12CCCC[C@@H]1C2	2312997164	GRTJDAJXFZRPFW-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@]12CCCC[C@@H]1C2	2313032217	ZOXURNBAEQUVNR-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CNC1CCC(=CC=C(C)CCCC(C)C)CC1	2316534441	BTYDZWDEKSGYAS-UHFFFAOYSA-N	249.442	4.847	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C[C@H]2C=C[C@H]1CCC2	2316659704	WDSNNPOIVKJRCX-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
N[C@@]1(CC2CCCCCC2)CCCC2(CCC2)C1	2316869406	HHZLDEJETKGGNV-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCCC[C@](C)(O)CC(C)(C)Cc1ccccc1	2317224588	QRVILQFFKIDXMA-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
C[C@@H]1C(C)(C)C[C@]1(N)CC[C@@H]1CCCCC12CC2	2318241110	NVOHMPOUJWXJAW-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@@H](CCCC2=CCCCC2)C1	2318582791	HWAOVDDZEWQQGX-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
CC(C)C1CC([C@H](N)CCCC2=CCCCC2)C1	2318594180	CRMHWEDVXNSXII-OFLPRAFFSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C[C@@H]2CCC(C)(C)C2)c1	2319024955	SWSNYTRGMFOTIZ-GOEBONIOSA-N	245.410	4.520	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CCC[C@@H]2C(C)C)CC1	2320230880	KAIOWPBPLZVPAL-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@](CN)(C[C@@H]2CCC[C@@H](C)C2)CC1	2320267314	DLMOWNYRCOJUBD-XYPHTWIQSA-N	249.442	4.668	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)=C(C)C1)CC1(C)CC1	2320393550	GSXKCEMRGFLNKQ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H]1C[C@@H](C)c2ccccc2N1	2320455532	HPMZJDAGUGBFSM-KBUPBQIOSA-N	243.394	4.801	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](C)CC2CCCC2)c1	2321086432	CIAFONWXYRXXQT-LBPRGKRZSA-N	249.373	4.769	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)CCC(C)(C)C)c1	2327673391	ORWNYEMBAIGHLP-INIZCTEOSA-N	248.410	4.978	0	10	BJAE	
CCSc1ccc(-c2cccc(S)c2)cc1	15441845	JGANITLZNGYBIY-UHFFFAOYSA-N	246.400	4.754	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)CCC(C)C	20520185	CFMNCQDRDNUZBW-HUUCEWRRSA-N	227.436	4.760	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccco1	35136972	UBPLTZURMZMLER-HZSPNIEDSA-N	249.398	4.535	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1csc2ccccc12	35499574	VXRZDPFHJMNWNU-ABAIWWIYSA-N	247.407	4.598	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1C)C(CC)CC	35579738	IKBFIZJZHWQPGT-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCCCCN[C@H](CCCC)c1ccccc1	37188837	AVRTUBBPBKNZMY-MRXNPFEDSA-N	233.399	4.698	0	10	BJAE	
CC(C)(C)CCNc1ccc2ccccc2c1	70071257	OBCXORBITCSQAK-UHFFFAOYSA-N	227.351	4.688	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(F)c(C)c2)C1	71121716	DAWGGSXSRQCAEZ-QWHCGFSZSA-N	235.346	4.515	0	10	BJAE	
Cc1cc(C)cc(CNc2c(C)cccc2C)c1	83367353	WIWGGWOKZYMNCI-UHFFFAOYSA-N	239.362	4.532	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](CC)C[C@@H](C)CC	83864159	WBULGGVGHFQDNF-AJNGGQMLSA-N	227.436	4.616	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CNCC)c1ccc(C)cc1	93131769	BGLLLNTWHCSGFQ-WBVHZDCISA-N	247.426	4.514	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@@H](C)CC(C)(C)C)c(C)c1	109784808	BRUYDAQPHDMHFH-CJNGLKHVSA-N	248.410	4.799	0	10	BJAE	
CCCCCCCC/C=C/[C@H]1CCCC1=O	117056325	GXERGVHDSZQLQY-MARXPDLDSA-N	222.372	4.662	0	10	BJAE	
CCCCCCn1ccc2c(OCC)cccc21	124163739	XHXOEHPCRHJVDG-UHFFFAOYSA-N	245.366	4.620	0	10	BJAE	
CCCCC[C@@](C)(O)c1cc2cc(C)ccc2o1	124512152	DEOJZTYDGVRGBX-MRXNPFEDSA-N	246.350	4.529	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@H](C)CCC	124901073	PYNTZBXOAPJCGQ-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
Cc1cccc(NC2CCC3(CCCC3)CC2)c1	129187490	XEIOVQBQKKTOMM-UHFFFAOYSA-N	243.394	4.910	0	10	BJAE	
CCCN[C@H](CCC(C)C)CCC1CCCC1	158676983	GDCRVOBAROSVIV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCN[C@H](CCCC)c1ccc(F)cc1	161691661	UEKQJFQGSAJYHR-LLCTXKFZSA-N	249.373	4.613	0	10	BJAE	
CC[C@H](C)[C@@H](C(=O)CC1CCC1)c1ccccc1	165832366	JOWRYJVHASEZSE-SUMWQHHRSA-N	244.378	4.576	0	10	BJAE	
O[C@H](c1ccc(C2CC2)cc1)C1CCCCCC1	167653738	WKOHKTDJHNPVIG-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CCc1cccc([C@@H](O)C2CCCCCCC2)c1	168054920	JGDZSYRWNSKMRX-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CCCC(CCC)[C@H](O)c1cc(C)ccc1C	212033784	UXUCZSFCLUSEDE-INIZCTEOSA-N	234.383	4.553	0	10	BJAE	
Cc1ccc(C2([C@@H](C)F)CCCCC2)cc1	220340622	FEAHANNPTQRSPU-CYBMUJFWSA-N	220.331	4.555	0	10	BJAE	
CCN[C@@H](C=C(C)C)c1csc2ccccc12	229746230	MPKMWFKODYAPPO-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
CCCN[C@H]([C@@H](C)c1ccccc1)[C@H](C)CCC	233135944	JRMOVVOTNWXOHC-VYDXJSESSA-N	247.426	4.595	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CCCC[C@H]1C(C)C	251416503	OZVHADBOBVRGRU-JYJNAYRXSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	253040193	KELKPEJZDZNCGS-NPJQDHAYSA-N	239.447	4.602	0	10	BJAE	
CCc1ccc([C@@H](N)C2=CCCCCCC2)s1	300139310	OJJOKCAXMLDLRN-HNNXBMFYSA-N	249.423	4.591	0	10	BJAE	
CCN[C@H](CCCC(C)C)CCC(C)(C)C	300816360	GNGGBNLWUHFWLV-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CCCCC1CCCCC1)NC	300822961	ZJRDXAOPEGDHKI-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC(C)(C)CCCC1(O)CCC(C)(C)CC1	300865578	MOUCZOFCHFUCOJ-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@H](C)Nc1cccc(C)c1F	302338826	UGRVKAHVBBANID-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(N)C[C@@H](C)CC(C)C)c1	302372352	OQWAEKSLSWHYOY-YOEHRIQHSA-N	247.426	4.550	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@H](C)CC(C)C	302585192	SPSCQILQFRZOHT-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)C)c1c(C)cccc1C	305951600	NCMRTMKXPXZARV-CZUORRHYSA-N	247.426	4.636	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C)cc1C	306061783	XFKSRZMAHLJWLH-GDZNZVCISA-N	245.410	4.794	0	10	BJAE	
CSc1csc2cc(S)c(Cl)cc12	306727882	BESGZZIAXFJQKD-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1c(Cl)sc2cccc(SC)c12	306844805	FRRDACKAIYXALY-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C1=CCCCCC1	307984782	BMWOUABCOQURAS-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)c1csc(-c2cccc(C)c2)n1	310394361	LPLPBNAPSCDQQT-UHFFFAOYSA-N	245.391	4.806	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CC1CCC(C)CC1	310419576	NTLCDHPRWVWBHE-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@]1(C)CCCCCN1)C1CCCCC1	310425458	PSBWXCSRLJOTTD-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](N[C@@H](C)C(CC)CC)C1CCCC1	313411810	PIYIMFMKNPMFQT-BBRMVZONSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@H](C)CC(C)(C)C)CC(C)(C)C1	384500146	OYIZPRCEPNVTTH-MGPQQGTHSA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)c1cccc(C2CCC2)c1	384526576	BXULISFBPLBOGJ-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
Cc1cc(C(=O)CCC2=CCCCC2)sc1C	385630064	BDJKMJLFSYRUIS-UHFFFAOYSA-N	248.391	4.828	0	10	BJAE	
C[C@H](C[C@@](C)(O)c1ccccc1)C1CCCCC1	386790917	LKIWETPFWBCEPA-RHSMWYFYSA-N	246.394	4.501	0	10	BJAE	
CC(C)[C@H](C)CNc1c(Cl)cccc1Cl	389996955	QWJSMGXILAZPEB-SECBINFHSA-N	246.181	4.697	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CCCCC1(C)C	391180834	PUTQZBGUSWAZBK-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(NCC2(C)CCCCCC2)c1	394630905	QEDKUWOBMMRAKA-UHFFFAOYSA-N	231.383	4.767	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)CC(C)(C)C	395028161	UBXHDCGOWGYNEF-DZGCQCFKSA-N	228.420	4.780	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@@H](C)C(C)(C)C)c1ccccc1	395033351	LHMLHYMKKGGSIW-IIAWOOMASA-N	247.426	4.580	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCCC(C)(C)C	395174670	NANNMDBTCIOAHI-CYBMUJFWSA-N	228.420	4.780	0	10	BJAE	
Cc1cc2ccsc2c(C)c1C(F)(F)F	396202325	SLCXADFECKZTCH-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CSc1c(C)sc2ccc(C(F)F)cc12	396399593	BSYROHSJLXPNGU-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@@H](C)C(C)(C)C	399311468	MIFWPYPPWXQRGQ-HIFRSBDPSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1cc(C)ccc1C	401574955	HIDUEFZPVJWUAG-HOTGVXAUSA-N	245.410	4.932	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1coc2ccccc12	404289955	KGUCTARVWGODNS-LRDDRELGSA-N	245.366	4.520	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)CC1=CCCCC1	405966580	CXBQEWJXZCFECR-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Cc1cccc(NCCC(C)(C)C2CC2)c1C	406056986	HQWXPIOZHLHXJB-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
Cc1c(Cl)cc(C(F)F)cc1C(F)F	575678421	WZYIQQDSYXBOPO-UHFFFAOYSA-N	226.600	4.524	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)CC1CCCC1	689833051	XLNKCTNCVCGHJJ-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
Cc1cc(N[C@H](C)c2ccoc2)cc(C)c1Cl	690265492	ZJLNJLTYZOQHKD-LLVKDONJSA-N	249.741	4.723	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1CC2CCC1CC2	691749407	JILITQCVAXAXIC-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@@H]1CC2CCC1CC2	691752660	RGZJALYZUOPHIP-GQGLESIBSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@@H]1CCC12CCCC2)C1CCCCC1	694333051	QYEKMMGZQIFRNX-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
N[C@H](C1=CCCCCCC1)C1CCC2(CC1)CC2	695625739	IRCFQDJWSMHGHQ-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CCCC[C@@H](CC)NCC1CCC2(CC1)CC2	695684071	RXYRFGPMNSDJCY-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)NC1CCC(C2CCC2)CC1	695938666	SOBGQZYKIUGESU-PCKAHOCUSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@H](CNC1CC1)CC(C)C	696679173	RKGQTSIQSAKYMN-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)c1c(C)cc(C)cc1C	701206552	REURZTCRNQOAGP-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CCCN[C@@H]1[C@H]2CCCCCC[C@H]2C12CCCC2	701880235	CZLCAVXYWVQAPA-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H](Nc1cccc(C2CCC2)c1)C1CC1	705297672	XBAIOMLIHWMHKV-QGZVFWFLSA-N	243.394	4.801	0	10	BJAE	
CCC[C@@](N)(CCCCCC(C)C)C1CCC1	705376256	LRNJGAZCBZKBLQ-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCCc1ccc(C(=O)C2CC(C)(C)C2)cc1	706093336	UQRHPHALVLEXJN-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)C[C@H](C)CC(C)(C)C1	711278613	KKFVVIRMQVCQII-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC1(N)CCC(C2CCC2)CC1	713130746	PCZHLENZYGZYAI-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1CCCC1)CC(C)(C)C(C)C	713158436	FZZVHTDQIPFSAT-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(NCC[C@H]2C[C@H]2C2CC2)c1	714865236	MJTQEROSXMUKDT-RDJZCZTQSA-N	243.394	4.658	0	10	BJAE	
CC(C)=CCCc1ccc(F)c2ccccc12	714938203	OVRSNSGNESFNPX-UHFFFAOYSA-N	228.310	4.878	0	10	BJAE	
CC(C)=C(C)CC[C@H](C)[C@H](C)CNCC(C)C	718492073	HCHVWFVCCHVKPS-JKSUJKDBSA-N	239.447	4.641	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H](C)c1ccccc1	718578254	IGWRCKZZGUBCFF-NVXWUHKLSA-N	245.410	4.515	0	10	BJAE	
CC(=O)c1ccc(SCCC(C)=C(C)C)cc1	718691375	KKPPPBDMOPGYCF-UHFFFAOYSA-N	248.391	4.728	0	10	BJAE	
CC(C)=C(C)CCCCCC(F)(F)F	718748095	NFRLGKQCQPXCMJ-UHFFFAOYSA-N	208.267	4.856	0	10	BJAE	
CC[C@@H](CC1CCCCC1)[C@@H](CC(C)C)NC	720423664	GSVURYXIABBWOY-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)(C)C)C1(C)CCC1	720720643	ZJOCRRIAMGRGTQ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1NCCC1CC=CC1	724190712	AMBIVSVTSIIOJY-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1NC1CC2(CCC2)C1	829310503	QLNSTWRELDMOAI-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)N(C)Cc1csc2ccccc12	1140639329	UWTMWOSMIAQVLL-UHFFFAOYSA-N	247.407	4.522	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2C[C@@H]3CCC[C@@H]32)CC1	1205600216	GWXRLJVKGDEMOE-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](S[C@H](C)C(C)C)c1ccccc1	1307309580	HLTGSXZEMISYCW-OCCSQVGLSA-N	222.397	4.915	0	10	BJAE	
CCN(CC=C(C)C)c1cccc2ccccc12	1559995981	HQBFWZOWYIQQEQ-UHFFFAOYSA-N	239.362	4.632	0	10	BJAE	
CCC1(C)CCC(NC[C@@]23CCCC[C@@H]2C3)CC1	1561008834	KBVKNYDVPVWBFF-VXLLPVPCSA-N	249.442	4.515	0	10	BJAE	
c1ccc(CCCCSc2cccs2)cc1	1652606667	MAWPSQMEYKNHFD-UHFFFAOYSA-N	248.416	4.863	0	10	BJAE	
CC[C@H]1CCC[C@H](C=CCCNC(C)(C)C)C1	1876996622	UJJCEVWXKVSYRE-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(N[C@@H](C)[C@@H](C)C(C)C)c1Cl	1901625729	MUSHLZDJBVLUQP-RYUDHWBXSA-N	239.790	4.741	0	10	BJAE	
CCC[C@@H](CC)C[C@@](N)(CC)C1CCCC1	1905362789	ROQPSHJDBPNDNF-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)CC[C@@]12CCC[C@@H]1C2	1908431605	LEINTCACXCAJDO-CZUORRHYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC[C@@]2(C)O)CC1	1909704850	IBQFEMKBKRPAFC-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@H](C[C@H](C)C(C)(C)C)NCC	1911810707	WTWJTMGZVVCTJZ-LSDHHAIUSA-N	237.431	4.559	0	10	BJAE	
C=CC=CCC[C@H](CCCCCC)NCCC	1911827844	VVZHOADUQLVYQA-MRXNPFEDSA-N	237.431	4.847	0	10	BJAE	
CCC[C@@H]1CNCC[C@@]12CCC1(CCCCC1)C2	1915925139	RGOKSMYCUKLUES-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(O)CCC2(CCCC2)C1	1916435206	DCFKLSBXXUWBJS-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1(CNCCC)CC(C(C)C)C1	1921197618	XFCFBCQCDMZOEO-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C1CC(CC)C1	1921261633	LEMANIWAIQWEET-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H](N[C@@H]2CCCC23CCC3)CC(C)(C)C1	1921512200	ATVAKRBMYXIVJB-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC(C(=O)[C@H]2CCCC23CCC3)C[C@H](C)C1	1921610828	PRAUYLPSJSHSNR-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@](C)(C[C@H](C)CC)C1CCCCC1	1924117004	VDNHYRAWVAOOPO-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)C[C@H]1C=CCCCC1	1925888442	GOEUUJRQCTWDOU-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCCC1)CC(C)(C)C	1925915879	RSJQNUPDUHNSHO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCc1cc(NCCC(CC)CC)ccc1F	1926207446	FEMDALJWFRAXHJ-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
CCCCCCC(=O)[C@H](CCC)C(C)C	1927986249	OOWRARFRHNOQPV-CYBMUJFWSA-N	212.377	4.598	0	10	BJAE	
CCC[C@](N)([C@H](C)CCC(C)C)C(C)(C)C	1937170352	UXDFSOKHAJFLPN-HIFRSBDPSA-N	227.436	4.602	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@@H]1CCC[C@H]1C	1940176305	BDGPZGQQFRBNLE-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3CC[C@H]32)cc(C)c1Cl	1941018918	HMNOOJGHUUARBQ-MRVWCRGKSA-N	249.785	4.557	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](O)CCCCCC1CC1	1941573865	UGOUIHAXNBLGKI-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@H](NCCC2CCCCCC2)C1	1941720327	YGMQXQLVCUVQHC-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CCCC1CCC=CCC1)NCC	1941793589	QCSMVVSKELSYAM-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)CC[C@@H](C)n1ccnc1-c1cccs1	1942660139	LHYUULCHXXWWQW-GFCCVEGCSA-N	248.395	4.609	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](O)CC1CCCCCC1	1944839622	LPWXTUKNCLIOFS-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@H]1CCC(C)(C)C1	1945601948	YQWTUZQYELZAGH-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCCCCC1(F)F	1947291951	HEGHOCPFQWXJSJ-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@H](C)CC(C)(C)C	1947465441	VHMBEJSPDMBAHV-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](C[C@@H](C)C(F)F)NCCC	1948536906	GTODNFSFOOBNPM-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C1=CCCCCC1	1948976304	DQXCXHRNCRDBDL-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C(CC)CC)CCC1(C)C	1949652519	DWHKLDLFUJOZKS-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)C[C@@H]2CCC[C@@H]2C1	1950287827	RBTBIEIKFXZUPL-ZSHCYNCHSA-N	238.415	4.534	0	10	BJAE	
CC=CC[C@H](CC)c1cc(CC)ccc1OC	1951308995	RXMFLZOYSDTUME-AWEZNQCLSA-N	232.367	4.717	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCCCC[C@H]1C	1962882942	UHGRFLJVYHVQEX-OWCLPIDISA-N	237.431	4.680	0	10	BJAE	
CCCC[C@H](CC)N[C@H](CC)Cc1ccccc1	1963228586	JGOMGHDMBODCAP-DLBZAZTESA-N	247.426	4.566	0	10	BJAE	
CCC(C)(C)CNCc1ccccc1C(C)(C)C	1964049556	UPGVLMSEGXAXPO-UHFFFAOYSA-N	247.426	4.510	0	10	BJAE	
C1CCC(CNC2CC(C3CCCCC3)C2)CC1	1965987452	FDGFAWRLLBSVIH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NCC[C@H]2CCC[C@@H](C)C2)c1	1968253199	YOQZPWYJBFWVHF-UKRRQHHQSA-N	231.383	4.623	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CC[C@H](C)C1	1978456634	YLPZGKMBHJOBJF-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C(=O)CCC[C@@H]1C	1994318094	MTEXRTDVGWXVQP-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
Fc1ccc(Cl)c2occ(C3CCCC3)c12	1995497559	BYDLYNPWOHWPHJ-UHFFFAOYSA-N	238.689	4.883	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@](C)(O)C2(C)CCCCC2)C1	1996269749	MBWPPHGSXFIZJV-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H](C)C1CCC(C)CC1	1996553205	GATLEROJCHYJQK-PYBGIAKNSA-N	239.447	4.616	0	10	BJAE	
CC[C@@](O)(C1CCC(C)(C)CC1)[C@H](C)C(C)C	1996561201	KTHQDRIMUGSPTC-CJNGLKHVSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](N[C@H](C)C(C)(C)CC)C1CCCCC1	1996588581	HFRIOWOCMBVSKK-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(N)C1CCC(C)(C)CC1	1996593667	HOLVBQNVAOROKN-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](NCCC)C1CC(C(C)(C)C)C1	1998236302	HGDFMYLQBUWNPO-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H]1CC[C@@]1(N)CCC1CCCCC1	1998748475	JGYOQCTXOJPFEN-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
C[C@H](c1ccc(N)cc1)[C@@H]1CCCC(C)(C)C1	2000163176	QBACQYQQPGRYHH-TZMCWYRMSA-N	231.383	4.589	0	10	BJAE	
Cc1ccccc1C(=O)C1(C)CCCCCC1	2000218591	LZMNAOZTMMLTDR-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCCC[C@](C)(CCC1CCC1)CNC1CC1	2000513618	JKWSVNMFWCLHNX-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCCN(C[C@@H](C)C(C)(C)C)CC1	2000906135	GZADTCDOZBCQRF-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CC(C)[C@H](C)[C@]1(O)CCCCC12CCCCC2	2001597922	YMDRMWCYLAOJDP-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCC[C@H]2CC[C@H]21	2004798137	WRITZBRRADACOC-IACUBPJLSA-N	249.785	4.639	0	10	BJAE	
CC(C)=C(C)CCNC[C@H]1CCCCC1(C)C	2005583467	OGSRNOULPBDGOF-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)C[C@@H](N)[C@H]1CCCCC12CCC2	2005595047	KSRNZEJGCOBTRA-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](N)[C@@H]1CCCCC12CCC2	2005601688	SYGUGPFYLZORDO-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CC(N[C@H](C)C2CCCCCC2)C1	2009295910	BFFZAQNDPSSNMG-IUDNXUCKSA-N	237.431	4.514	0	10	BJAE	
CC=CCCCC1(CNCC(C)C)CCCC1	2009630802	XYZMMMLJOXSQOV-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCNC[C@@](CC)(CCC1CCC1)C(C)C	2012409774	GSPYNAGSAQNTHA-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@](CC)(C[C@@H](C)CCC)C(C)C	2012424963	HDYPRLFCYZZTGO-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cc(F)ccc1C	2013263799	JKTPGAFCBKQSND-AWEZNQCLSA-N	237.362	4.761	0	10	BJAE	
CCC[C@H](C)[C@H](N)c1sc2ccccc2c1C	2014293202	SDOZSFYHNVEYOZ-HZMBPMFUSA-N	247.407	4.646	0	10	BJAE	
CC1CCC(C[C@@](C)(N)C2(C)CCCC2)CC1	2014337605	DTWUQCYRUJQXEI-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@H](C)C1(C)CCCC1	2014337681	DZYOXZPQXVQSIV-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@]1(CNC2CC2)CCC1(C)C	2014862304	OXEUNAHXRCWSDJ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H](C)C[C@@H]1C[C@@H](C)c2ccccc2N1	2015402901	WTBQWALXIZIHFB-MGPQQGTHSA-N	231.383	4.657	0	10	BJAE	
CCCC1(C[C@@H](O)CC(C)(C)C2CC2)CCC1	2015634870	UAKCTVFWGWJWAW-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C)C2CC=CC2)cc1	2016341811	HLCQVBPOYKYFCF-ZDUSSCGKSA-N	229.367	4.577	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CC1(C(C)(C)C)CCC1	2017121026	KCAHTDCENDYDCX-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2CCC(C)(C)C2)CCC1	2017128464	COSQKIFEGAGPTD-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@H]1C)CCC(C)(C)C	2017239285	SOEFHHUCSKORJW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2CC[C@H](C)CC2)CC1	2017719294	AQGINBUZNXWLSR-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(CN)CCCCC2)CC1	2017725026	PNULDLJROIVTNN-SHTZXODSSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C[C@H]1CC[C@H](C)CC1	2017778089	YDMUHDLTVFTVPS-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H]1CCC[C@H](CC)C1	2018131001	QVPGNNRGGLVQEU-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H](C)C[C@@H]1C	2018138348	FZYKSLBDBBVASN-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@](N)(CC)C1=CC[C@@H](CC)CC1	2018139895	XDWMVSOXLURSHV-GDBMZVCRSA-N	237.431	4.811	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)[C@H](C)c1ccccc1	2019113655	IYJRGYPTQLBGHM-ZIAGYGMSSA-N	233.399	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCCCCC[C@@H]2C)C1	2019199918	FSXLLMWFPIHCEQ-ARFHVFGLSA-N	237.431	4.610	0	10	BJAE	
CCCCCCN(C)[C@H]1C[C@H](C)CC(C)(C)C1	2019291998	UZTUERNNSQODHX-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H]1CCCC[C@H]1C	2019341398	ZYWGHZBHKIRLDW-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
C/C=C/CCC[C@@H](CC1CC(CC)C1)NCC	2025427144	NBIYWQCJPSFLLW-ZIULGFOLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1cc(C)c(C)o1	2026074996	QWPNLOSZPXPLSV-SMDDNHRTSA-N	237.387	4.503	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H]1C[C@H]1C(C)C	2026169622	JUSYJNDXEQGNOD-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)C(C)(C)C1CC1	2028099132	KVIXNCKYYLEOSH-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](c1ccccc1CC(C)C)C(C)(C)C	2028914403	GBKYRLLGGDPFCV-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CC1(C)CCC[C@]1(CNC1CC1)C1CCCCC1	2032104485	PTUKKVHGINERRI-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC1CC(C2CCCC2)C1	2033766211	DKQZQEIBXAKHPP-LHUBUQBQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]21)C1CCCCC1	2034260039	CSWROQVQSZSEBF-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@]1(N)CC[C@@H]2CCCC[C@H]2C1)C1CCC1	2037163055	SXQKPAXVZQYDNI-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(CCCC1(C)CC1)c1ccccc1	2037174243	DPQKLGAEPSMZAM-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
C[C@H](C=C1CCC2(CCNCC2)C1)CC(C)(C)C	2037738419	FCZYWXVXODYJFM-CQSZACIVSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CC1CC(C)(C)C1)C1=CCCCCC1	2037981990	IKYDBHQCDDIQHO-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(CC(=O)CC2CC3(CCC3)C2)CCCCC1	2037982524	OJYRUWOWWGMKGG-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](CC1CC2(CCC2)C1)C1(C)CCCCC1	2038084271	XZWDTYBXTJSONF-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC(C(=O)CCC3CCCC3)C2)C1	2039418473	UIXHMJHPXLLHMY-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C2CC3(C2)CC(C)(C)C3)C1	2039424491	QHHYUOPXNZOVGY-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CCC(=C[C@@H]1C(C)=CCC[C@@H]1C)CNCC(C)C	2039437190	RRDBPTYYTGVUEV-DOTOQJQBSA-N	249.442	4.561	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)C1(CC)CCC1	2039719759	KWWMGODNQPZZBE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1C[C@@H](C2(C)CCCCC2)C12CCCC2	2039844891	XWRWCQDNROVXKJ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NC[C@]1(C)C=CCCC1)C1CCCCC1	2040684869	WIMDNMSPNKGXQF-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](N[C@H]1CC[C@@H]1CC)c1ccccc1	2043706112	YACGKPQXURFRNV-XIRDDKMYSA-N	245.410	4.696	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H]2CCC=CCCC2)o1	2045309442	GHBBXBDGSBGVKI-CYBMUJFWSA-N	246.350	4.551	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)[C@@H](c1ccccc1)C(C)C	2045681089	UANYWWPFZORUHS-SQWLQELKSA-N	246.394	4.678	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)C1(C)CCCCCC1	2045797534	SDFDNVQXBJTLGA-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC(CN)(C[C@H]2CC23CCCC3)CC1	2047012102	ZQUXQBFVHGTSON-AWEZNQCLSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](C[C@@H]1CC12CCCCC2)C1CCCC1	2047015474	JBNNZGIZZKWAGS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048471866	QCHCOARQKJBETL-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](C1CCCCCCC1)C1[C@@H]2CCCCC[C@@H]12	2049200331	HLOXOSXPMUMOTD-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2c1OC1(CCCCCCCC1)N2	2049677759	GOOIVDRHCOMLTR-UHFFFAOYSA-N	245.366	4.630	0	10	BJAE	
CC(C)(C)C1CCC(CN[C@@]2(C)C=CCC2)CC1	2049967790	GRHJCKUCQCCMCL-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@H](N)CCCCCCC(C)C)c1	2050459380	WPMFJYCKWPSVKK-QGZVFWFLSA-N	247.426	4.991	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cnccc2C(C)C)C1	2053852869	BTTKHGUSWSVFNX-UONOGXRCSA-N	246.398	4.586	0	10	BJAE	
CCC1CC(CC2(N)CC3(CCCCCC3)C2)C1	2056648951	STCRQMNQOXEESQ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCCCC1CC(NC2CC3(CCCC3)C2)C1	2059395982	TVGWJYSQBSBXEL-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H]1NCC[C@@]12C[C@@H]1CCCCC[C@@H]1C2	2059470831	UTMKNXDZPFOZBS-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N)(CC2CC3(CCC3)C2)C1	2059494398	YJJSSZURNHDVPH-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@](C)(N)C2CCCC2)CC1	2061117116	WKCZRARIUKCJFX-SUMWQHHRSA-N	249.442	4.667	0	10	BJAE	
O[C@H](CCC1CC(=C2CCC2)C1)CC1CCCC1	2061694806	WBQLWTNXPCNSKC-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC1CC(=C2CCC2)C1	2061703414	FEVUGRGLBUGXEO-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H]1CCCCN1CC1CC(=C2CCC2)C1	2061708078	YXEBOEUQADLIKN-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CC2)C1)[C@@H](C)C(C)(C)C	2061736111	BSMGRVUPUSPTMI-WBMJQRKESA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H]1CCCCCC12CC2	2062199937	XCVXUHRXIDPQNE-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1CC2(C1)CC21CC1	2064130043	JCDJZYAAAZUECF-TUBUQKNSSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@](N)(CC23CCC(CC2)CC3)C1	2065337662	BTENLUJMLGGMLM-AXRJEEMOSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(CC(=O)C2(CC3CC3)CCC2)CC1	2069503034	DEUVHXCYJMFRPU-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@@H]1CC[C@H]2C[C@H]2CC1	2070397992	JVYJTVIDMSPRAI-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C[C@H]2CNC23CCCCC3)CCC1	2072189471	FNXCZGLXQIBUDQ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CC2(N)CC(C3CCCCC3)C2)CC1	2074629721	RXWFJUUWMUKWDD-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H]1[C@@H](C=C2CCCCC2)CCCC1(C)C	2076402663	VGJXDOIKRPJBHN-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H](CC)c1ccccc1	2077189982	NKSCGKMTPBLONQ-SJORKVTESA-N	245.410	4.515	0	10	BJAE	
CCCCCc1ccc(C(=O)CC[C@@H]2C[C@H]2C)o1	2077981183	KTZZREOYKJCPSO-CHWSQXEVSA-N	248.366	4.631	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1C[C@@H]1C1CCC1	2079351199	XOSAGRNUOKBLSN-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1CC1)[C@@H]1C[C@H]1C1CCCCCC1	2079476917	SDWHDXWECAESCK-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2079493183	WDZGYUSZIQAKIM-DNNBLBMLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@H]2C[C@@H]2C(C)(C)C)c1	2079850162	DAGPVMGQLKEBRU-HIFRSBDPSA-N	244.378	4.558	0	10	BJAE	
CC1(CCC(=O)C[C@@H]2C[C@H]2C2CCCCC2)CC1	2079867454	WKTGLXJXRBVASE-ZBFHGGJFSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2C[C@H]2C2CCCCC2)CC1	2079867552	UYCSBWGTZKPNCH-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC1(N)CCC2(CCCC2)CC1	2079870697	NHYUELCCBCQDCS-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)ccc1NC1C[C@@H](C)C[C@H](C)C1	2081947426	SEZVHSCOMJOLHJ-RYUDHWBXSA-N	249.373	4.625	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)CCCCC23CC3)C1	2082977193	XDLMNSNCHFZLNO-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1cc(C)ccc1C	2086043035	BQOWBQFNSVGLGT-SUMWQHHRSA-N	248.410	4.943	0	10	BJAE	
Cc1csc(C(=O)CCCC2(C)CC2)c1C	2210577718	KUVJJRZFONRZRV-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCc1ccc(CC=Cc2ccccc2)cc1	2213825378	SRQYSRDGAYCLHT-UHFFFAOYSA-N	222.331	4.505	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@@]1(C)C[C@H]1C	2214995647	ATYARFTUKMVGPM-MEBBXXQBSA-N	247.769	4.649	0	10	BJAE	
CCC[C@](C)(CC[C@@H]1C[C@H]1C)CNC(C)(C)C	2215257000	VTUDKSJPLJFBEA-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)c1c(C)cccc1C)C(C)C	2215993031	BREIHJJFERLFTN-AWEZNQCLSA-N	232.367	4.558	0	10	BJAE	
CC=CCCC[C@]1(O)CCC[C@H](C(C)(C)C)C1	2216255714	FCJQAQGOIDJBLC-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CCCCC(F)F)C[C@@H](C)CC	2216449589	OFRIOIDGQCWTED-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2C[C@H]3CCC[C@H](C2)C3)C1	2218336228	BEBWGIZAMBPAIM-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218351700	QROKKJNORZGYAY-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC([C@H](N)CCCCC3CC3)C2)C1	2220047109	QOTRWTRRUULMLM-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCc2cc(CCCCC3CC3)ccc2N1	2220047443	WTURFUXQFNMPBC-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
CCCCN(CC[C@H]1C[C@H]1CC)c1ccccc1	2220985794	ODQXCFYGONOYPI-CVEARBPZSA-N	245.410	4.729	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)CCCCCC2CC2)CC1	2221615329	LDYJFGULBUAGFK-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1c(C)cccc1C	2222002027	OIXDMSXAENAZHG-BBRMVZONSA-N	247.426	4.910	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@H]1CCCCC12CC2	2246596912	DGTNTOYRIFJNCI-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](N)CC[C@H]1CCC[C@@H](C)C1	2246697450	XEYUTYJBPXBUKW-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCCC[C@H]1C[C@H]1C	2247159483	NMAJNRLPVFUJPQ-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@](C)(N)CCCC[C@@H]1C[C@@H]1C	2247173887	DSURXSFZZRDRHQ-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
CN[C@H](CCCCCC[C@H]1C[C@H]1C)C(C)(C)C	2248813543	FZFSJACWGVTHLX-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](CC[C@H](C)CCCC(C)C)NC	2250488009	IANYEEXZBVLEOY-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)C1CC(C)C1	2250518082	GQELPMXHBNZHCJ-FHERZECASA-N	239.447	4.569	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)[C@@H]1CCCN1	2250528846	OKPONNZKXVNWDZ-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)NCC1CC(CC(C)(C)C)C1	2251536994	VMQNJDMVMRHYSU-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(N)CC(C)(C)CCC1(C)C	2251658260	FWAUKCNFAJHVEP-XJKSGUPXSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C1CCC1)[C@H](N)CC[C@H]1CCCCC12CC2	2253844362	QYYIZXUSSJUMGB-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](CC[C@@H]2CCCCC23CC3)NC)CC1	2253856796	QXDWDRYFRKHXHI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NCC1CC2(CCCC2)C1)C1CCCC1	2254071676	HEMUBPKUKRVCPS-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC2CC3(CCCC3)C2)CC1	2254071778	IMPLZOQRNNATGF-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC1CC2(CCCC2)C1)C1CCCCC1	2254112965	HOQBYVNOGBGRPP-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)CC1CC2(CCCC2)C1	2254120029	ORBXIPNWTNSGTC-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN[C@@H]1CCCC2(CCC2)C1	2254513635	SPKARZUXZOCCRZ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1OCCCC[C@H]1C[C@@H]1C	2254543814	NBAGKMBSGSCGEW-HOCLYGCPSA-N	246.394	4.844	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2CCC23CCC3)CC1	2255021751	DBFRMAMZJRARJH-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
O[C@H](C[C@H]1CCCC12CC2)C1=CCCCCCC1	2255336160	DFLSIXWIZDVPMV-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@@]23CCC[C@H]2CC3)C1	2260581118	CTMSJFRKOYCMSP-AESZEHBQSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@@]12CCC[C@@H]1CC2	2260636704	COJDAZUTUJHIOI-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1C[C@H](C(C)(C)C)C1	2298839686	AGHLIDLMLLQFFD-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CCCNCC1(CCC(CC)CC)CC=CC1	2300679826	XLLLJCKYQHVUEC-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1CC2(CCCC2)C1	2300685807	JECHHHAXUGEIGW-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC(=O)c1ccc(C)cc1F	2300705250	BJPOVRLGNSGVEE-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CC1(C)CC(C)([C@H](O)CC2CCCCCC2)C1	2301133613	NTAJSWNDFLETEF-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC1CCCCCC1	2301143936	YOEPSHPGRXGYSL-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)C[C@@H](C)CC(C)(C)C	2301906600	BCCXGIZASMCZQF-MCIONIFRSA-N	240.431	4.946	0	10	BJAE	
C[C@@H]1[C@@H](C(=O)C2(C)CCCCCC2)CC1(C)C	2302135193	KGNNHDXBBLTRJQ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC1(NCCCC2=CCCCC2)CCCCC1	2302330569	CVRAOHLYDXOWQZ-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1CCC(C)=C(C)C1	2303594490	HYAVBVDSDBRRKZ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)NCC[C@@H]1CCC(C)(C)C1	2304423188	PIUWVJCSLKGFAS-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](C)(N)CC[C@H]1CCC(C)(C)C1	2304437889	SQHFKRNUOQEFBA-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCC[C@H]1c1nc([C@@H]2CC23CCC3)cs1	2304488378	ZZFDZDRVSDEQEH-UTUOFQBUSA-N	247.407	4.704	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)CCC1CCCCC1	2307831320	JNNJGROJGUKSHJ-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CC[C@H](C)[C@H]1C(C)C	2307835023	NCPIYRFKIHYNMV-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1CC(C2CCC2)C1	2307908276	OXSDQRWBRWLPKD-LRVUVFPRSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H](C[C@@]23CCC[C@@H]2C3)c2ccccc2N1	2310883091	YWGAPAOIGPRTAX-ZOMKSWQUSA-N	241.378	4.555	0	10	BJAE	
NC1(C[C@H]2C[C@@H]3CC[C@H]2C3)CCCCCCCC1	2312951392	QZNMOCNKIUMSLV-OWCLPIDISA-N	249.442	4.645	0	10	BJAE	
CN(C(CC1CC1)CC1CC1)C1(C)CCCCC1	2313605036	VXSRPWHYROGCKK-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CCC(CC)CCC[C@H](NC)c1cccc(C)c1	2316243682	RDMCWUGBOBYRQV-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CCC(CC)CC=C1CCC[C@@H]1[C@@H]1CCCCN1	2316251769	KLVBWTLBUDCBPX-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC(=CCC(=O)[C@H]1C[C@H]2C[C@@H]1C2)CCCC(C)C	2316500550	ARAUAHBMTCSMTA-XHSDSOJGSA-N	248.410	4.764	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CC(C1CC1)C1CC1	2316504588	VJRHCMCGOIBRCX-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2316568431	PUGGTUYEFMLPCB-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
C[C@@](N)(C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2316869333	GQCQMEGIEYAJSM-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCC(C)(C)C1	2317916393	YQZKPKDNWJVNDX-CYBMUJFWSA-N	249.373	4.940	0	10	BJAE	
O=C(CCCCC1CC1)CC1C[C@H]2CCC[C@@H]2C1	2318875227	WEJHSUJESLRWHS-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(N)CCCC23CCCC3)C1	2319316536	CTWFTLCSAGIUKF-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1CCCC[C@@H]2C[C@H]12	2319322877	IOJQJRKLPLQTBV-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
O=C(CCCCC1CC1)CC[C@H]1CC[C@@H]1C1CC1	2319735562	YAQVHOIBAVGMFX-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC1(N)CC2(CCCC2)C1	2320257578	WCVYLAAFKWGJBD-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CC[C@@H]2CC3(CC3)CN2)CC1	2321245467	RQUFFQHIBOJNAG-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(c1ccccc1)C(C)C	2328207347	RZSNNLYGCDKRLM-DOTOQJQBSA-N	248.410	4.747	0	10	BJAE	
CCCCC[C@H](N)c1c(C)c(C)c(C)c(C)c1C	20481432	GYYVROILUFQFAA-INIZCTEOSA-N	247.426	4.809	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)CCC(C)C)cc1C	21514390	QAAZJCHCEBYZQB-JKSUJKDBSA-N	247.426	4.779	0	10	BJAE	
CCCCC[C@@H](C)NC1CCCCCCC1	21520986	FUCKWEFWMLXJKH-CQSZACIVSA-N	225.420	4.658	0	10	BJAE	
CCCCCC(=O)c1csc2ccccc12	36944885	AXBHROBRPJLWPN-UHFFFAOYSA-N	232.348	4.664	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccc(C)cc1F	70977724	JUFZEBYTCVEXCK-TZMCWYRMSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(F)cc2C)C1	71105911	NMULYVMYQFZYTG-OCCSQVGLSA-N	235.346	4.515	0	10	BJAE	
CC(=O)C(C)(C)c1ccc(C2CCCCC2)cc1	71559344	MVIOWMDAPAAFEK-UHFFFAOYSA-N	244.378	4.601	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1sccc1Cl	87623140	DKHQUZDEBXLQJB-GXSJLCMTSA-N	246.803	4.651	0	10	BJAE	
CCCC[C@H](NCC)C1CCC(CCC)CC1	87963844	WJQSPENIEIKTRE-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C(C)C)c2cc([C@H](N)C(C)C)oc12	88075513	KFCUSQCQLVLOGQ-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1csc2ccccc12	95765052	DOUTXANNJNVLTI-ZDUSSCGKSA-N	247.407	4.727	0	10	BJAE	
CC(C)CCCN[C@@H]1CCCC[C@@H]1C(C)(C)C	103983660	ONHNKZMPCKMVTK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C/C=C\[C@H](C)Cc1ccc(Cl)c(Cl)c1	107563158	KBLQODUXSDVOOC-TYRPZCRBSA-N	229.150	4.748	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCC1CCCCC1	109898243	ZLSBLXONZDBRTC-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](NC)c1ccc2ccccc2c1	110446655	XEGFOQPFQDSZGX-QGZVFWFLSA-N	241.378	4.681	0	10	BJAE	
CN[C@H](CC1CCCC1)C1CCCCCCC1	126455399	WJIUXVHJTGEDPC-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2CCC3(CCCC3)CC2)C1	129252028	CMEKCXPHMVZZLG-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@@H](CCC1CC1)NCCC	129952199	LNGJUWZZRHZCOD-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cscc2C)cc1	134329146	MFTZIJOBXWGVDN-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
CCc1c(Cl)c(C)c(Cl)c(C)c1Cl	145999761	KILUDBQQRYAKAE-UHFFFAOYSA-N	237.557	4.826	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1cc(C)cc(C)c1	166786601	YYYUPYKQDZSDTR-GDBMZVCRSA-N	234.383	4.553	0	10	BJAE	
CCCC(CCC)[C@@H](NC)C1CCC(C)CC1	167860164	RSMXFYUDKDFDON-AVVWSFFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)c1ccc(C)o1	225976411	FQDWLJVLXUCCST-UONOGXRCSA-N	237.387	4.598	0	10	BJAE	
CC1(CNCC2CCCCCC2)CCCCC1	232859953	AGHKMMIKWUKJDY-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCCCC[C@H]1CNc2c(Cl)cccc21	232969520	UTQNIJNNLJDWTQ-NSHDSACASA-N	237.774	4.820	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2ccc3c(c2)NCCC3)C1	234084168	KWRUSLPAQFQEIR-DZGCQCFKSA-N	243.394	4.729	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2cc(C)cc(C)c2)C1	235714254	GMCBKLDVCKUOMY-MLGOLLRUSA-N	243.394	4.708	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)c1ccc(C)s1	251524447	AISOSUPTKLHDOX-GMXVVIOVSA-N	239.428	4.532	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(O)CCCC[C@H]1CC	251654963	GRKAUTMUPZSSSR-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC1C[C@H](C)C[C@@H](C)C1	251742998	GINYFYJRKXBWSL-YJNKXOJESA-N	239.447	4.616	0	10	BJAE	
C=C1CC=CC(C)(C)CC=C(C)CC[C@H]1C(C)=O	267331204	YRFMWVJKSSLTAZ-MRXNPFEDSA-N	246.394	4.851	0	10	BJAE	
CCN[C@@H](CCCC1CCCC1)C1CCCC1	302241744	FIRCGXDAGWIMFU-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1CCCC(F)(F)C1	304179314	LIICCWCJTNCAEW-LBPRGKRZSA-N	246.341	4.742	0	10	BJAE	
CCCC1CCC(N[C@H]2/C=C/CCCCC2)CC1	305956073	ICIKLMZXCXQDRC-PCNALANJSA-N	249.442	4.824	0	10	BJAE	
CCc1ccccc1N[C@H]1/C=C/CCCCC1	306005618	OBSOVCQARWEBIL-VQCVXAJWSA-N	229.367	4.550	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cccc(C)c2Cl)o1	310077915	XLXOIPKSWJWFRL-LLVKDONJSA-N	249.741	4.723	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)C(C(C)C)C(C)C	310160509	LDPXEHVHGFOCHO-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CCC(C)C)C(C(C)C)C(C)C	310215767	FUDDCZWZPPQNPH-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
C[C@@H](C[C@]1(N)CCC(C)(C)C1)C1CCCCC1	310339667	NSLGXMKXDHNBQC-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](NC[C@H](C)C(C)(C)C)c1cccc(C)c1	310965828	UWHJHZKYMKZQQH-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
CCCNC[C@@](C)(CC)C[C@@H](C)c1ccccc1	317446444	YREXHVGTSCZDLV-WBVHZDCISA-N	247.426	4.596	0	10	BJAE	
CCCNC[C@]1(CCCC(C)C)CC[C@H](C)C1	319094170	DBMGUMOFWPRBQR-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCOc1cccc2c1ccn2[C@@H](C)[C@@H](C)CC	319758978	DGPKRENFXIASOF-STQMWFEESA-N	245.366	4.647	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C(C)(C)C1CCC1	322481709	UHDLXTRCPLPHQK-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(O[C@@H]2C=CCCCCC2)c(C)c1	379855226	LWXKGLMSQXIYRZ-OAHLLOKOSA-N	230.351	4.571	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)CC(C)C	383166896	RKYBAYYBVIYTTR-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](O)CCCCCC(C)C)C1	383229240	TXGLTZPEYNSXAK-OWCLPIDISA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2CCC[C@H](C)C2)c1	383694607	RFNRLSKAWBUWAT-WFASDCNBSA-N	232.367	4.509	0	10	BJAE	
Cc1ccc([C@@H]2C[C@H](C)c3ccccc3N2)cc1	393964859	MINOWBKPZJFXQO-GUYCJALGSA-N	237.346	4.655	0	10	BJAE	
CCc1ccc(N[C@@H](C)CC(C)(C)C)cc1C	395157951	YTPRWLHXTNNROS-ZDUSSCGKSA-N	233.399	4.794	0	10	BJAE	
Cc1cc(C)c2scc(C(F)(F)F)c2c1	396197271	LLDJWMAGMMDOSC-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@H](C)C1CCC1	398674885	UOXHDYWNDWPMSV-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
Cc1scc([C@H](N)CCCC(C)(C)C)c1C	399888800	VVLVZLGUVNQHNQ-CYBMUJFWSA-N	239.428	4.581	0	10	BJAE	
CCN[C@H](CCCC1=CCCC1)c1ccccc1	400395369	NZTUEHRWXIFUCZ-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C[C@H]1CC=CCC1	402231782	YTIKDXVSQWEMQD-DOTOQJQBSA-N	247.426	4.601	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCC(C)(C)C2CC2)c1	405770910	ZTVXKKZFXSWHQV-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CCCCCCC(=O)C[C@@H](CC)CC(F)F	688826154	QCHLOIGVTHZMPC-LLVKDONJSA-N	234.330	4.597	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](C)(O)CC1CCCCC1	689732365	HEJPYUARLDQZQT-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1cc(F)ccc1C	691142213	VFAKJBZFEDOUTL-DZGCQCFKSA-N	249.373	4.905	0	10	BJAE	
CCN[C@@H](CC(C)C)c1cccc(C(C)(C)C)c1	691654019	QSWZXGFMTILAFV-INIZCTEOSA-N	247.426	4.681	0	10	BJAE	
CC[C@](O)(c1ccc2sccc2c1)C(C)(C)C	691864089	UIPMLNNDMLPPTK-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)CCC(C)(C)C	695100983	UGGXUVIJZQUKJF-OLZOCXBDSA-N	227.436	4.616	0	10	BJAE	
CCCCCC[C@@H](C)NCCC(C)(C)CC	696738977	XTLCWCYKUDUJBH-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)CCNC1(CC)CCCCC1	696804690	AHWBNCLEQZTXKU-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)C1(C(C)C)CC1	697603234	QNEPZCPPFLSLJY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](NC2C[C@H]3CC[C@H](C2)C3)CC1	697673523	SWAIGUGBQXPKKQ-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C(C)(CC)CC)[C@]1(C)CC1(C)C	701147543	JIHXVBUEWPXBOC-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]([C@@H]1CCCC1(C)C)C(C)(CC)CC	701253324	PGPFOHSBMSLRDC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@]1(N)CCCC12CCCCC2	704436745	TXNSPKPTACLHAA-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCCCc1ccc([C@H](O)[C@@H](C)CC(C)C)cc1	704742532	WSVOBFNYCHFDPH-WMLDXEAASA-N	248.410	4.745	0	10	BJAE	
C[C@@H]1CC[C@H]([C@](C)(N)CCC(C)(C)C)C[C@H]1C	704851167	CTDWNTIQZCYSOC-HGTKMLMNSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](N)(c1cccc(C(C)C)c1)C1CCCC1	704938102	DGURGCWXLKAIDI-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H](NCC[C@H]1CC=CCC1)c1ccsc1	706864572	YFQMMWACPAIJNB-DZGCQCFKSA-N	249.423	4.535	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@H](C)CC(C)C	708306224	ZTXQPEMCPLSGCT-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@]23CCCC[C@H]2C3)c(F)c1	709137281	ZANHBQWVONMMAG-DVOMOZLQSA-N	247.357	4.515	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCCC[C@@H]2C2CC2)C1	710135063	CHOMGCUTVAGMOR-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@@H](C)CC2CCC2)c1	710196973	QLOXZRNFCJJXRH-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
O=C(c1cscc1Cl)C1CCCCCC1	710430334	BSCBODSSDJEGPQ-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1cscc1Cl	710472123	GDXXBMOZMHZHKT-CABZTGNLSA-N	245.819	4.618	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1cscc1Cl	711506844	PVZWCDRMPZZVIO-CABZTGNLSA-N	246.803	4.507	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C(C)C)C1CCCC1	713138349	CDOCCHFMAIYDIQ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(CC(C)(C)C(C)C)C1CCCC1	713248414	VPMCDAOQIINVHP-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCCNC[C@H](CC(C)(C)CC)C1CCCC1	713248749	AJNDYYDIEIZLQN-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C/CCC1(CNC2CC2)CCCCCC1	713725933	NUUKLFAKWTZPHL-ONEGZZNKSA-N	247.426	4.601	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)c1ccc(CC)o1	718634159	OBRQKXPNALSCOC-OAHLLOKOSA-N	249.398	4.629	0	10	BJAE	
CCNC[C@]1(CCC(C)=C(C)C)CC[C@@H](C)C1	718749665	UIMRXKUAVLLMAY-ZBFHGGJFSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)[C@@](O)(CC)CC1CCCCC1	720997658	HZUIMAVCSGKPSE-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CC1CC(C)(C)C1	723561975	HIIFVDFJMUSDGV-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@]12CCCC[C@@H]1C2	822096161	ZCMGIOQCITUTKQ-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCCN1CCC1=CCCCC1	1175898283	MLCPUSWGLTVMJW-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCCC12CCCC2	1560988907	LOWJWUKUGVSOPU-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC[C@H](N)C1(CC)CCCC1	1900702567	PLXFWUZGQSKRJG-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@](N)(CC)CCCC1=CCCCC1	1901959974	MLYDVBKBZLUKQL-HNNXBMFYSA-N	223.404	4.565	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1CCC(C)(C)C1	1902292609	IIJNHISQZKPJBK-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCc1cscc1N[C@@H](C)CCCC(C)C	1902376612	KLADAWPYXQDVQL-LBPRGKRZSA-N	239.428	4.937	0	10	BJAE	
CC(C)(F)[C@@](C)(F)CCC1CC(=C2CC2)C1	1905285417	IVNCVYQBQDLPQO-AWEZNQCLSA-N	228.326	4.743	0	10	BJAE	
C[C@@H](C(=O)CCC=Cc1ccccc1)C(C)(C)C	1911936019	KGNYJELRQGCVNY-AWEZNQCLSA-N	244.378	4.731	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H]1CCCC[C@H]1C	1920188024	SJQSEOTZCLJPJF-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCC23CCC3)CC1	1921500931	YRZDTPNVWLTPME-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(F)c(NC2C[C@H]3CCC[C@H](C2)C3)c1	1923471096	NVCVEWCKVRVTFK-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
C[C@H](C(=O)CC1[C@H]2CCCC[C@H]12)C1CCCCC1	1924099097	QFGTUMZEBWWFCP-QEJZJMRPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C)(C)C1NC[C@H]1C=CCCCC1	1925833330	JUMKQRBKIJPYOY-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=CC2(C)CCCCC2)[C@@H](CN)C1	1927166953	VKEGISCZYHRFAW-OAHLLOKOSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CCC(CC[C@H]2C=CCC2)CC1	1932594552	CFRHWMHIGITMPE-ZDUSSCGKSA-N	206.373	4.949	0	10	BJAE	
Cc1ccc(O[C@H]2CCC[C@H](C)C2)c(Cl)c1	1936604578	JRFMJBZSMGAXNH-JQWIXIFHSA-N	238.758	4.606	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H](C)CCC(C)C	1937160979	BCHXGSKQYKADJH-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@@H]2C(C)(C)C)CCCCC1	1940379950	PPNZVXCDTQDRJT-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC1(C)CCCCC1	1940380885	UMUPYAKFKZZNKH-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1ccccc1C(C)C	1940616684	QPBBSMWNHOXNCD-HEHGZKQESA-N	234.383	4.526	0	10	BJAE	
CCCC(O)(CCC)CC[C@@H]1CCCC1(F)F	1940705078	GARXOEVZHNHFKX-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CCC1CCC1)NCC	1941269552	SAHVJTLHPLOBKN-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)c1cccc2sccc12	1945955026	CHLPKUIEGHTFOS-WDEREUQCSA-N	244.359	4.520	0	10	BJAE	
CCSc1ccccc1NC1CC2(CCC2)C1	1946636317	WHJORRAITPMRKS-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CCC[C@H]1C(C)C	1947463699	FEXWKYCDMGRYLG-HRCADAONSA-N	239.447	4.616	0	10	BJAE	
Cc1c(Cl)cccc1C(=O)C[C@H]1C=CCCC1	1947553619	ZUTJIOIMGDDMJT-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
CCCCCC[C@H](NCCC)C1CC2(CC2)C1	1948158564	XNDOXVZVRWTQGN-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@H]1c2ccccc2NC[C@@H]1C	1949095454	YYSLGTUTVFIGQX-GXTWGEPZSA-N	231.383	4.658	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)CC2CCCCCC2)C1	1949551123	IMRIFVDTIHWTBS-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC(C)NCc1ccsc1C1=CCCCCC1	1951241428	BDXPIRUTKMBOTP-UHFFFAOYSA-N	249.423	4.594	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)c2ccccc2C)C1	1968413300	CRJJGBSEQJDLQH-CQSZACIVSA-N	245.410	4.614	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H]1CCCCC1(C)C	1970178060	CSNBOIZENQIIBL-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CC1(C)CC[C@@H]1N[C@H]1CCCC2(CCCCC2)C1	1972322017	DFWHUPMNAKGRRQ-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(Cl)nc(-c2sccc2C2CC2)c1	1980327128	YWTDRCSMNSLZQC-UHFFFAOYSA-N	249.766	4.649	0	10	BJAE	
C[C@H](CCC1CC(=C2CC2)C1)CC(F)(F)F	1985532243	GVHPDAIWCIGIMA-SECBINFHSA-N	232.289	4.856	0	10	BJAE	
CC[C@](N)(CCC(C)=C(C)C)CCC(C)C	1986961219	XPIHMCGBYQRXPM-OAHLLOKOSA-N	225.420	4.667	0	10	BJAE	
CC(C)=C(C)COc1ccc(C(C)C)cc1	1989654819	GBAYLFUWDJTRHH-UHFFFAOYSA-N	218.340	4.545	0	10	BJAE	
CCCCC[C@H](CC)NCC1(CC)CCC1	1990093554	MIAYVEUQNGRKON-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)c1coc2c1ccc1ccccc12	1995466096	RYPPIDBHZNJLPM-UHFFFAOYSA-N	210.276	4.709	0	10	BJAE	
CCC(C)(CC)c1nc(CC2(C)CC2)cs1	1995468028	RPYKOGFTKDIDMS-UHFFFAOYSA-N	237.412	4.563	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@H](O)CC2CCCCC2)C1	1996263804	BQQLVFGYTYHQBL-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCCCc1ccc(NC2CC=CC2)cc1	1996348999	NXPONHYQFVMDMF-UHFFFAOYSA-N	229.367	4.550	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@]1(C)CC=CCC1	1997546411	LTBNNUOIDPWOFP-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)CCC2CCC2)C1	1998242020	WEDXQYWSQCVCEH-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2C=CCCCC2)CCC1	2000191884	JYVOQOQMGPTQCT-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1CCC(F)(F)C1	2000214455	BVJBOYHVISYCFT-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC)C1(C)CCCCCC1	2000390563	OQJCFYFKBYIGDI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)CC(C)(C)CC	2000523778	RXAPADOSBAEQHK-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CCCCCC(C)C)C(=O)OC	2000691848	OUEVHNAUWWXYDB-UHFFFAOYSA-N	242.403	4.572	0	10	BJAE	
CCCCCC[C@@]1(O)CCC(F)(F)CC1(C)C	2000793251	RKYSIMHWGUOABW-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCCCCCC(=O)C[C@H](C(F)F)C(C)(C)C	2002435674	QGHOLQLSVCVRFS-GFCCVEGCSA-N	248.357	4.843	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)[C@H]1CCCC(C)(C)C1	2002979894	UUZOBKHAVZRHSU-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003004573	GTJXYSWABIGTNE-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC1CCC2(CC1)CC2	2003191950	QVZJAAJXBYWRIB-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1(C2CCC2)CC1	2004534583	KGQKEFJGMSBTMH-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C(C)(C)C)C1(C)CCCCCCC1	2004923319	PELIAVZUVSTXGD-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](NCC)C1(C)CCCCCCC1	2004924268	ZIGXWDKWODQWJZ-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC1(C)CC(Nc2ccc3sccc3c2)C1	2009300457	XFNUMDWXBKGRFP-UHFFFAOYSA-N	245.391	4.892	0	10	BJAE	
CC=CCCCC1(N)CC2(CCCCCC2)C1	2009573791	BXNGNHCUORPHSO-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
C/C=C/CCC[C@@]1(CN)CCCC(C)(C)CC1	2009619687	NUNFBOIFLXMOIQ-DWTRPJMMSA-N	237.431	4.668	0	10	BJAE	
CCCC1CC(Nc2ccc(C3CC3)cc2)C1	2009713921	IMTPFVZESSSUJF-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)C1=CC[C@@H](CC)CC1	2010711905	DYBVRTNHOJEPCO-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC2(CC(CCC(=O)C(C)(C)C)C2)C1	2011846801	DLOWVYDVWYKWLC-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Clc1cccc(NCC2C[C@H]3CCC[C@@H]3C2)c1	2011970906	RBZBYHYPVGDBTA-CHWSQXEVSA-N	249.785	4.578	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)C1CC2(CC2)C1	2012415665	DIJXZZZDBHYSHA-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)C2(C)CCCC2)c1	2014336426	DPAGDPFEEFNYKX-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@@](C)(CNCCC)C[C@H](C)C(C)C	2015399230	MINBGEWDJZPUOF-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCC[C@H](CNC(C)C)CC(C(C)C)C(C)C	2015409757	ARYQVDUKCVHNFC-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CCCC1CCC(C[C@@H](O)CC(C)(C)C)CC1	2017650063	CNQXQMSIPNLDGL-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCC[C@@H](CC)C2)CC1	2018915248	FDMSMBAEDZZGMP-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@](O)(CCC)C2CCCC2)CC1	2018964614	JEJCGNKTRBQVMW-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)CN(CC)[C@@H]1CCCC[C@H]1CC	2019203085	ZGYWDEMCXDPWLG-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CCCCN(CC)C[C@H]1CC[C@H](CCC)CC1	2019476748	BJKNCUAPVJAUSV-WKILWMFISA-N	239.447	4.715	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1C[C@@H]1C1CCCC1	2022413445	DQYYXKGZNUTUOQ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)N[C@H]1C[C@H]1C1CCCCC1	2022436237	SJHGORVUCPKJLD-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CSc1ccc(NC[C@H]2C[C@@H]2C(C)(C)C)cc1	2022477471	LGBHAAMRMMISHH-RISCZKNCSA-N	249.423	4.503	0	10	BJAE	
Clc1cccc(NC[C@@H]2C[C@@H]2C2CCCC2)c1	2022488695	DOPGFFPNEGGBHV-SWLSCSKDSA-N	249.785	4.578	0	10	BJAE	
CCC[C@H]1C[C@H]1CN(C)CC(CC)(CC)CC	2022577681	ZJCZKNCDQUPHKA-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CCC[C@H]2CC2(C)C)C1	2024126941	ZFVFXESLICUWAW-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CSc1ccc(N[C@H]2CC[C@H](C(C)C)C2)cc1	2025574089	DJSBTOKZMSSBFP-JSGCOSHPSA-N	249.423	4.645	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H]1CCc2cc(N)ccc21	2027822612	RJHDXXDFMKPVFG-TZMCWYRMSA-N	243.394	4.515	0	10	BJAE	
CCCc1ccccc1[C@H](N)[C@@H](CCC)C(C)C	2028255555	RATQIOUEWHEBEX-DOTOQJQBSA-N	247.426	4.711	0	10	BJAE	
C(CCC1CC1)CCN1CCCCC12CCCC2	2032664920	BKVHLYUBEKOYBH-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CC=C[C@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1	2034977211	IEGKZKFHWROQGU-UONOGXRCSA-N	245.410	4.599	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@@H]1C[C@@H]1C=CCCC1	2035586073	AJMUVQZDADFKJN-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(NC[C@H]2C[C@H]2C2CC2)CCCC1	2035892595	TYFZFGYNGWGOPX-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H](N)CCCC(C)(C)C)c1ccccc1	2037104568	ANSCRQVQSDREQU-HOCLYGCPSA-N	247.426	4.724	0	10	BJAE	
N[C@]1(C[C@@H]2C=CCCC2)CCCC12CCCCC2	2037305287	BGBKZBQIFBDSLX-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC1(CNCCC2CC3(CCC3)C2)CCCCC1	2038093700	DVOSVNNSVZTTKN-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)[C@H]1CCC[C@H](C)CC1	2039370003	MXFXABJXEYHYHB-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)CC23CCC(CC2)C3)C1	2039420850	NZLQSLWXCYRHSY-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](NC[C@@]1(C)CC=CCC1)C1CCCC1	2042072069	MLMRDJZEJDTOOU-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cccc(C2CC2)c1	2045607461	ROTCNDGFHAKBEA-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CCCC2)CC1(C)CC1	2047017024	SMFHUDXAVQIIQI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(CNc2ccccc2C2(C)CC2)CC=CC1	2047727740	AHBSWGXEEKACLJ-UHFFFAOYSA-N	241.378	4.506	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2CCC23CCC3)C1	2047932982	QLONKLZIVXDHEG-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](N)(CC1[C@H]2CCCCC[C@H]12)C1CCC1	2048439958	RLZNSIACTUXTJF-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC[C@@H]2C[C@@H]2C2CC2)C1	2049514947	MHUWVXGYYNYBPA-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CCC2=CCCCC2)C1	2049537902	VSKSUGCENNTQIJ-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CCCc1ccc([C@H](N)CC2(C)CCCC2)cc1	2049803567	BWGYYPMEMDHCQH-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
C[C@H]1C[C@@](N)(CC2CCC3(CC2)CC3)CC[C@H]1C	2049852589	CGBRTUFWWGCRNZ-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCCC2(CC2)C1)CC1(C)CC1	2049856530	QWPFKDJJDMWMQP-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H](N)[C@]1(C)C=CCCC1)C1CCCCC1	2049997501	NZPFYHMXMPFHIG-HYVNUMGLSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](N(C)[C@H]1CCC2(CCCC2)C1)C1(C)CCC1	2052333013	YUGSEDWEHROKIL-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@H]1CCCCC12CC2	2053355217	IOVFBBMZDSCPRB-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@@H]([C@@H]2CCC3(CCCC3)C2)C1	2055038882	LEKHPPFYMMSSQN-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C1(N)CCC2(CCCCC2)CC1	2055305226	XQBXSIQFOUSJMR-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC=C[C@@H]1NC1CCC(C(C)(C)C)CC1	2055564579	KYQWWLQUFWAVPS-LBDPXKHJSA-N	249.442	4.536	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@@H](N)CCC1=CCCCC1	2056446498	GIISTUSMXDKDFI-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C=C1CCCCC1	2056920136	OMCRSDVCBSGDJL-WMLDXEAASA-N	247.426	4.731	0	10	BJAE	
CCCCCC1CC(N[C@@H]2C[C@H]2C2CCCC2)C1	2059394940	DEZAJYRRHFBCCI-MHVXSEJMSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC=C([C@@H](N)[C@@H]2CCCCC2(C)C)CC1	2061094673	HYCIGHCZRTUSFO-LSDHHAIUSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CCCc2ccoc21	2062958083	XBQRVEPROZKOTH-CABCVRRESA-N	249.398	4.606	0	10	BJAE	
C[C@H](CC1C[C@@H]2CCC[C@H]2C1)c1ccc(N)cc1	2063495256	AQUYBGNFPGQUAF-KCXAZCMYSA-N	243.394	4.589	0	10	BJAE	
CCCC1(CNc2cccc(C(C)C)n2)CCC1	2066344392	LLTVPCJFTLBULG-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
C[C@H](N[C@@H](C1CCCC1)C1CC1)C1(C)CCCC1	2067518347	WKFCBBNBDIVGTP-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCC1	2068770783	FGJXYNOSSKKVKY-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)CCC1	2069278703	MNQCJLMZGADBKW-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2C[C@H]3CCCC[C@@H]32)CCC1	2069335136	LDABBSUKOSEXEF-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNC(C)C)C[C@H]2CC[C@H]1C2	2072407532	JUMXRUGGEYSIDS-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@@H](NC)[C@@H]2C=CCCC2)CC1	2072801420	NVHHJVOFTHGRER-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@](O)(CC)CCCc1ccccc1	2073340774	HNJIWYBFZORCJQ-QGZVFWFLSA-N	248.410	4.731	0	10	BJAE	
CCCC1(C[C@@]2(CNC3CC3)CCC[C@@H]2C)CC1	2074627939	ZRHJEWKKZNBZKB-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@H]1CC[C@@H](C)[C@H](C)C1	2074797658	SHYNZNVEMLZHHJ-AIANPOQGSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CC=CCC23CCCC3)C1	2074905527	IWNIBNQNYYSPEV-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1c(C)cccc1F	2076038299	AYBXHTNVSADKJL-HNNXBMFYSA-N	249.373	4.531	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccccc1C1CCC1	2077263728	CGGORNKBPGOIID-XJKSGUPXSA-N	243.394	4.945	0	10	BJAE	
CC1(C)C[C@](C)(CCC23CCC(CC2)CC3)CN1	2078864659	JAQQQSPYOFYRMN-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@@H]1C[C@H]1C(C)(C)C	2079843609	ROBVXZDDOMJTTL-TTZDDIAXSA-N	248.410	4.620	0	10	BJAE	
CCN[C@H](CC)c1cccc([C@H]2C[C@@H]2C(C)C)c1	2082714713	GWQCJUPQGMSPNG-BRWVUGGUSA-N	245.410	4.507	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)C2=CCCCCC2)c1	2082930072	MUNWNPTYMUPBKL-QGZVFWFLSA-N	243.394	4.502	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cccc(C(C)(C)C)c1	2083550020	KIPRRVYWTMVNIP-CJNGLKHVSA-N	247.426	4.810	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1scc(C)c1C	2210567771	NHRROWKUNAMJEX-LBPRGKRZSA-N	239.428	4.581	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H](CC)C(C)C	2212650136	WQAQWPADFADGQI-ZDUSSCGKSA-N	239.790	4.749	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)CCCCCCC1CC1	2213581648	ZETPXURVAVUDHA-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
Cc1coc(C(=O)CCCCCCC2CC2)c1	2213583492	SNPHQBAPIYRGKR-UHFFFAOYSA-N	234.339	4.521	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@H](C)CC(C)C	2214565619	OFMSPASLBYOKPK-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)CCCCC1CC1	2214569048	MCESFEWXWLHSFN-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CCCCC1CC1	2214570819	UYDDGFORYQTBJY-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)CC1(C)CC(C)(C)C1	2215396681	VSWTVGILAHXYES-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)NCC1(C2CCCCC2)CCCC1	2217151708	YCILJUZQZUDZFK-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](N2CCCC23CCC(C)(C)CC3)C1	2218032468	HYFFGUKSHRBGKE-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1CC12CCCCC2	2218717769	HKYBSRRNCNNEPT-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
N[C@@H](CC[C@H]1CCC=CCCC1)C1CCCCC1	2220296369	KBBHSQDRYGDXMS-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1(C[C@H](N)CC2CCCCC2)CC2(CCC2)C1	2221015434	IDRZSKSEOYTJJX-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CCCNC[C@@]1(C2CC(C)(C)C2)CC=C(C)CC1	2221669612	YRZQPHRSWNPSRF-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)n(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1	2222970660	DGFVGLMUYQAKLO-IXDOHACOSA-N	245.410	4.711	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CC2CCCCC2)C=CCC1	2223590305	VZIVYYBYRNTGRF-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
Fc1cc(Cl)ccc1CCC1=CCCCC1	2243237959	OSALDAXCHBIDPF-UHFFFAOYSA-N	238.733	4.912	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CCCCCC1CC1	2244768448	XTYFBZHOHQJSKR-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](O)c1ccc2ccsc2c1	2246118524	OFCJPEIOZYPURD-ZDUSSCGKSA-N	234.364	4.515	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1CCCCC12CC2	2246616904	HBLSANRJQZVKCC-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)c1cc2ccccc2s1	2246910087	VTDLELKJJFOJJS-OAHLLOKOSA-N	244.359	4.520	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C[C@@H](C)C(C)(C)C	2247128826	MAGOVFWOIWMQOO-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CCC1(C)C)C1CCCC1	2247398302	LYWLHQRJADFHPP-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCSc1cccc(NCC2=CCCCC2)c1	2247494462	CLTASWXETPPQKK-UHFFFAOYSA-N	247.407	4.711	0	10	BJAE	
C[C@@H](CC1=CCCCC1)[C@@H](C)CNC(C)(C)C	2247495423	DSXBHKKQVZPEPP-KBPBESRZSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC[C@@H]1CCCC12CC2	2247620732	VMHYQDAJCJPZHF-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC1([C@H](O)CCCCC[C@@H]2C[C@@H]2C)CCC1	2248842775	RCFKCJAVDXXOSG-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C1=CC[C@@H](C(C)C)CC1	2250353436	VCAFAWNFCHLOOG-LZWOXQAQSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC[C@H]1CC1(C)C)NCC	2250369688	VXXSSYNLRAOKNE-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@]1(N)CC12CCC2	2250475768	MBDRJIWBQVCIEE-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@H](CC[C@@H](C)CCCC(C)C)[C@H]1O	2250487187	YDQXTVRMDFDSJC-BPUTZDHNSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](C)[C@H](N)CC1CC(CC(C)(C)C)C1	2251584449	FPYKYJXLVBVICK-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H]1CCC(C)(C)C1=O	2251708323	QLNAWZMJXQLZRR-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](N)(CC[C@H]1CCCCC12CC2)C1CCC1	2253855859	PJCWXGZMQCXBDO-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
O[C@@H](CC1=CCCCC1)CC1CC2(CCCC2)C1	2254123300	IKDHSWYFSKTMPZ-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1=CCCCC1)[C@@]12CCCC[C@@H]1CCC2	2255063837	NTTIKKSCNPUAIE-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H](CC2=CCCCC2)C1	2255097600	UTYGOOCPIZOZKL-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)C1(CC2CC2)CC1	2257248140	NLMMQKHIABRAGW-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)C(C)(C)C1CCC1)C2	2259576524	NHCXAAGRPXSOFI-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@](O)(c1ccccc1)C1CCCC1	2263749022	KIMLQUFFCDZIBS-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@@H](O)C[C@@H](CC)C(C)(C)C	2298125167	OEJJQRLEAUCJMM-GBJTYRQASA-N	240.431	4.636	0	10	BJAE	
CCC(C)=CCC(CC)(CC)CNCC(C)C	2300860382	GZRKZXBJJJZLJE-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@H](O)CC=C(C)CCCC(C)C	2300865157	KAIIYZLITPQMGJ-HRCADAONSA-N	238.415	4.556	0	10	BJAE	
CC=CC[C@@H]1C[C@@H](CCC)CC[C@H]1NCCC	2300924876	XGPZSNZIVLDMQY-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@H](CC2CCCCCC2)C1	2301143294	SJVSXHOMCHBSIJ-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N[C@H](C)CC1=CCCCC1	2301843894	MNWHZNARCJYJEY-KFWWJZLASA-N	237.431	4.536	0	10	BJAE	
CC(C)CC1(c2nc(CCC3CC3)cs2)CC1	2302269346	XSLKYWCKILUQLF-UHFFFAOYSA-N	249.423	4.563	0	10	BJAE	
CC(C)[C@@H](C)[C@@](C)(O)CCCC1=CCCCC1	2302362309	XSARTRPOXDJVHH-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCCC(CCC)CNCCCC[C@@H]1C[C@H]1C	2302636415	RXHMVJMTOKEJGF-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1CC[C@@H](C)[C@H](C)N1	2302684409	CQFGNNZPXGOPFZ-UGUYLWEFSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CC[C@@H]1C(C)(C)C	2303466721	YTVBWBHFOKYBIF-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@H]1CC[C@@H]1C(C)(C)C	2303472128	ORIGAYVLFDUKRG-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1cccc(C(C)C)c1	2303717881	QPGBOXBODDXMOQ-WOSRLPQWSA-N	234.383	4.526	0	10	BJAE	
CCC[C@H](C)[C@H](CC[C@@H]1CCC(C)(C)C1)NC	2304434320	CTMWSLDFCOQHNM-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@H]([C@H](N)CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304438929	ZMKUTPLACUXJEJ-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CCCC1=CCCCC1)C[C@@H]1CCOC1	2307593891	UVTGWLAXZSHQCV-HOCLYGCPSA-N	236.399	4.720	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC(C)(C)C[C@H]1C	2307840957	DVDUAQSGGGXFOZ-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(CCC2=CCCOC2)CC1	2307905404	ZAWHPQROQOBYCB-UHFFFAOYSA-N	236.399	4.720	0	10	BJAE	
CC1([C@H](N)C[C@H]2CC[C@@H]3C[C@@H]3C2)CCCCCC1	2309141012	NRNZZYQNESMCJM-XUWVNRHRSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CC=CC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309180934	NXURUHSIKCZZRB-JYJNAYRXSA-N	246.394	4.518	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2311007200	JIVVTCFPPKEEEB-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@@H]1C[C@H]1C(C)(C)C	2311511462	XXWFVADUQBBBMC-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2313289089	SNWADRBZWXXPMZ-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@](N)(CC)C[C@H](C)CC)ccc1C	2314712622	QJGHQRSNLUREGA-DYVFJYSZSA-N	247.426	4.558	0	10	BJAE	
CCC(CC)CC[C@@]1(N)C[C@H](C)c2ccccc21	2316275176	JQZQXFRYALJJQQ-SUMWQHHRSA-N	245.410	4.564	0	10	BJAE	
CC(=CCN[C@@H]1CCC[C@H]2C[C@H]21)CCCC(C)C	2316489019	FWVAKEUXWKUBDM-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(=C1CCC[C@@H]1[C@H]1CCCCN1)[C@H](C)C(C)C	2317818871	CPDJHHGIABHHJK-XOKHGSTOSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1C[C@H]2CC[C@H]1C2	2317917849	NPCHAENNWOUVKP-HUBLWGQQSA-N	247.357	4.550	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C1=CCCCCCC1	2317970036	RXPMFHDLBIVBOE-KRWDZBQOSA-N	248.410	4.909	0	10	BJAE	
CC1(C)CC[C@@H](N)[C@@H](CCCC2=CCCCC2)C1	2318541503	UCSLPTPZFKYZHC-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CCCCC1=CCCCC1)C1CCCC1	2318542797	XVSRPKFGMJBNFD-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CCCC2=CCCCC2)[C@H]1C	2318595524	QKWPNYSAUCCHCM-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2320215989	UCSROYZPZBUKFM-WVZRYYJFSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CC[C@@H]2C(C)(C)C)c(C)o1	2320310010	GZMFPIAEFGRIOQ-OCCSQVGLSA-N	248.366	4.542	0	10	BJAE	
CCNC[C@]1([C@H]2CCC[C@H]2C)CCC(C)=C(C)C1	2320394441	POCPDQJCTWTBDW-PVAVHDDUSA-N	249.442	4.539	0	10	BJAE	
Cc1c(F)cccc1NCC[C@H]1CCC(C)(C)C1	2321613849	OVMNWNBFUIILAV-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cc(O)ccc2F)c1	2327682825	ZDEPPGGETWQMBH-UHFFFAOYSA-N	244.309	4.630	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CC2CCCC2)c1C	38137885	BUJRDKIHMGOUSI-UHFFFAOYSA-N	244.378	4.683	0	10	BJAE	
C[C@H](c1ccccc1)c1ccc2ccccc2c1	59337977	KFUMHWPJAJDTSJ-CQSZACIVSA-N	232.326	4.992	0	10	BJAE	
CCCc1ccc(NC(=N)C2CCCCC2)cc1	62990258	JWDLIVZPQYZNDL-UHFFFAOYSA-N	244.382	4.609	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@@H](C)NCCC	71083985	CMHFCGOJEOKHMS-KFWWJZLASA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)CNC(C)(C)C	71126677	QSKKTQSRKMMYDN-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CC[C@H](NCCC)C1	80406446	FJIMLMYXKZBUTD-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@@H](CC[C@H](N)c2ccccc2)CC[C@H]1C	85037987	RDMDPRVUEXAJEB-DLTWYDFYSA-N	245.410	4.539	0	10	BJAE	
CCCN[C@@H](CC)CCC1CCC(CC)CC1	85082946	DXYXAJXIBUKLTA-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](NC)C1CCC(CCC)CC1	87963214	JXDZVTXNPXCAAX-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CNc1ccc(OC(C)C)cc1C	103983612	MCKMRCSFBLMFCG-UHFFFAOYSA-N	249.398	4.630	0	10	BJAE	
CCC(=O)CC[C@@H](CC)c1ccc(CC)s1	107543839	LVDGFWORXOQGOT-LLVKDONJSA-N	238.396	4.563	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H]1CCC[C@H](C)C1	109736234	PVPLCRYNKYXOSU-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CN[C@H]1CCCc2c(C(C)C)cc(C(C)C)cc21	110268394	BDRLTMQAPRCQIU-KRWDZBQOSA-N	245.410	4.530	0	10	BJAE	
CCCCCC(=O)c1c[nH]c2ccc(Cl)cc12	111729963	XTPJSIQOCIOSNB-UHFFFAOYSA-N	249.741	4.584	0	10	BJAE	
Fc1c(-c2ccccc2)ccc2ccccc12	112734545	JJNLGVQRUREEQB-UHFFFAOYSA-N	222.262	4.646	0	10	BJAE	
C[C@H]1C[C@@H](C)Cc2[nH]c(C3CCCCCC3)nc21	122406941	ZWAFPBLYUJXSTN-NEPJUHHUSA-N	246.398	4.533	0	10	BJAE	
CCCCCC[C@H](N)[C@H](CC)CCCC	124754236	QRDHTCLROBECOC-KGLIPLIRSA-N	213.409	4.501	0	10	BJAE	
CCCCCC[C@]1(N)CC[C@H](C)c2ccccc21	131383339	OYUCJFLUSMWLQH-YOEHRIQHSA-N	245.410	4.708	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@H](CC)c1ccccc1	158617787	SSPNIHWLLWYJLS-IAGOWNOFSA-N	247.426	4.595	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)C1=CCCCCC1	203532538	OQLRUZWFQAMMQE-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H]1CCCC[C@H]1CNC(C)(C)C	211891222	UXSWJBXUBRBCNQ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCc1ccc([C@H](C)[C@@H](CCC)NCC)cc1	212568269	QUFJKVMLMMUVFM-WMLDXEAASA-N	247.426	4.521	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1CCC	217764470	SDXBKZUVEFLNCS-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(F)(F)C1(c2ccc(Cl)cc2)CCCC1	220826043	RBCQEPWHLDCIKO-UHFFFAOYSA-N	244.712	4.807	0	10	BJAE	
CC[C@@H](N[C@H]1C[C@@H](C)CC[C@@H]1C)c1ccccc1	222053122	MPJVGXCPNPSNIQ-DIECFANBSA-N	245.410	4.552	0	10	BJAE	
CCCCCCC(=O)c1ccccc1OC(C)C	229258652	DUDPGDKYAMNHJH-UHFFFAOYSA-N	248.366	4.627	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CCC1CCCC1	229338991	QIHVNTGLNXNLOL-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCC[C@@H](C(C)C)C1	230993455	WQRVQQMRBVLYTM-KGLIPLIRSA-N	249.373	4.761	0	10	BJAE	
Cc1cc(NCCCCCCC(C)C)ccc1N	232542151	BWFXUBAXOVIKFV-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)C1=CCCCCC1	232558791	JBJDWWUTMJNUPG-GXDHUFHOSA-N	235.415	4.601	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1c1cccc2c1CCCN2	233909148	GVHOPDDGMSBQPO-KGLIPLIRSA-N	243.394	4.729	0	10	BJAE	
Cc1cc([C@@H](N)C2=CCCCCCC2)sc1C	235837252	RUSWBQSOLORKIZ-HNNXBMFYSA-N	249.423	4.645	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCC[C@H]1C(C)C	250834872	UCPWWAQRARXMNS-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CCCCCCN[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	250837576	VWGCDZLYXPUMPG-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2nc(C)c(C)s2)cc1	259154578	DOYSRTBHTIOFJL-SNVBAGLBSA-N	245.391	4.940	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)c1ccc(C)s1	300806067	FFLFBJFWOMJWDM-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CC(C)(CCNC1CC1)CCC1CCCCC1	302246102	IKNNFIUVXQTMQH-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@](C)(CNCC(C)C)[C@@H](C)CC(C)C	302501615	AHQKJOQMDHMFDJ-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@H](C)C(C)(C)C	304241034	DFZMIVHCOFISIR-MELADBBJSA-N	228.420	4.636	0	10	BJAE	
CCc1c(Cl)sc2cccc(Cl)c12	306934552	HAHARGHNZHERJU-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CSc1sc2cccc(C)c2c1Cl	307076306	CRMLSUDQTPDILI-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1)[C@H](CC)CC(C)C	308049632	FUVDAJHHQNVFRS-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1c(C)cc(C)cc1C	308101332	FTOXQMTXDLSMOJ-OAHLLOKOSA-N	246.394	4.867	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H]1CCC[C@H](C)C1	310128374	JYOCDKHPFVJNMM-XHSDSOJGSA-N	239.447	4.748	0	10	BJAE	
C[C@@H](CCC(=O)C(C)(C)C)C1CCCCC1	310587846	WUQQOTPJUUHVLA-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](Nc1ccc(C)c(C)c1)c1ccsc1	382186121	YKFSQBQPGUOZJM-HNNXBMFYSA-N	245.391	4.928	0	10	BJAE	
CCc1occc1C(=O)CCCCCC(C)C	383117479	IWJWERNPVWPUGX-UHFFFAOYSA-N	236.355	4.631	0	10	BJAE	
CC(C)CCCCC[C@H](O)CCC(C)(C)C	383145149	GIZIXELIXMDBAU-AWEZNQCLSA-N	228.420	4.780	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCCC1(C)CCCC1	383513356	HCJXDCLYPWPSJY-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cccc3ccsc23)C1	386195811	CWJAOULFEFZOBZ-YPMHNXCESA-N	245.391	4.892	0	10	BJAE	
CC(C)[C@@H](C)CNc1ccc(Cl)c(Cl)c1	393630943	NNHYEXVGRXDODV-VIFPVBQESA-N	246.181	4.697	0	10	BJAE	
Cc1ccc([C@@H]2C[C@@H](C)c3ccccc3N2)cc1	393964856	MINOWBKPZJFXQO-DYVFJYSZSA-N	237.346	4.655	0	10	BJAE	
CCCN[C@@H](C)/C(C)=C\C1(C)CCCCCC1	394808624	YOYRLNDPTVKBRW-PLFFATQSSA-N	237.431	4.681	0	10	BJAE	
CCc1ccc2cc(C(F)F)sc2c1CC	396168631	ODYLHWRFKZLUBT-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1cc(C)c2c(C(F)F)csc2c1	396227337	SLPXUNGXDHPYGW-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1c(C(F)F)sc2ccc(S)cc12	396238091	IXQOEQKVCAXKCC-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
COc1cc(C(F)F)cc2cc(Cl)sc12	396288943	NLVOUVFOLXADQP-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCCCC[C@@H](C)Nc1cncc2ccccc12	396515834	JUJDZZIBVFLNHR-CYBMUJFWSA-N	242.366	4.616	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)CCC2CC2)cc1C	398033974	LTGLXZWIZFYLAH-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CC(C2CC2)C2CC2)C1	400816161	GLFOERANMMRASN-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
CCCNCC1(C[C@@H]2CC=CCC2)CCCCC1	402264066	SNVGCJFVKPBLKJ-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](CCCC2CC2)C1	406135299	ZNDXLIMDJJZKPR-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1CCC(C)(C)C[C@@H]1C	686307201	VXNOJGYYKNGDQM-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCCC1CCC1	688895667	UXKHANZOBFWQKU-CQSZACIVSA-N	224.388	4.742	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H]2CCCC[C@H]2C)c1	688897159	AJXUVKKNHFOBBG-COXVUDFISA-N	246.394	4.670	0	10	BJAE	
CC(C)c1cccc(-c2ccc([C@H](C)O)cc2)c1	688957352	DLGKTZDTPRNBEI-ZDUSSCGKSA-N	240.346	4.530	0	10	BJAE	
C[C@@H]1CCC[C@H](CNc2ccc(C3CC3)cc2)C1	690101597	GCRRQPQXSIQGLM-KGLIPLIRSA-N	243.394	4.802	0	10	BJAE	
CCc1cc(N[C@H]2CCCCC[C@@H]2C)ccc1C	691152023	OYTUUMNXUYJODL-YOEHRIQHSA-N	245.410	4.938	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2CC3CCC2CC3)c1	691721920	LXPGXOMLPMJYNB-UYSNPLJNSA-N	243.394	4.542	0	10	BJAE	
CC1([C@H](O)c2ccc3sccc3c2)CCCC1	691862664	KSNQCKVTOHSEOP-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](N)C1CC2(CCC2)C1	691909992	PPPIMPHNJJKTGN-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@H]1CCCC2(CC2)C1	695981043	DFMJVAHTOQHCKO-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CCC(C)(C)CC)C1	696751115	UBMBACAXEBYEJK-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)CCC(C)(C)CC	696799919	OZGJFZQHAXEUOR-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC(C)(C)CC)C1	697258153	HIZCHSMKPOCJES-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCc1ccccc1O[C@H]1C=CCCCCC1	699494211	UNEUSNOXFLFULC-INIZCTEOSA-N	244.378	4.907	0	10	BJAE	
CCCCCC[C@@H](NCC)C(C)(CC)CC	701256459	BKRMMYAYZCDSDX-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCCN[C@@H]1[C@@H]2CCCCC[C@@H]2C12CCCCC2	701903378	NVGZHNQMAUGTKM-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](NCC1=CCCC1)c1ccccc1	702325689	WESDGNJCVRFFBA-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
CC[C@H]1CCC[C@@]1(N)CCCCCC(C)C	704976792	HQLBPIROQDOOEL-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
c1ccc2cc(N[C@@H]3CCCC34CC4)ccc2c1	707024727	VQPIEMSYEKSQPH-MRXNPFEDSA-N	237.346	4.584	0	10	BJAE	
C1CCC(CCCN[C@@H]2CC[C@H]3CCC[C@@H]32)CC1	707861365	QLXDCTBDKAXDIJ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@](C)(N)CC(C)(C)C	709200305	IWONGRZTKGQTCH-SWLSCSKDSA-N	227.436	4.602	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1ccccc1C(C)C	709219198	JGPCVHLDZCXLOP-CYBMUJFWSA-N	232.367	4.675	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC[C@]23CCC[C@H]2C3)CC1	710484078	JGUIMVKYIXJAGZ-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1csc(C)c1	710699174	VFOPYEGBMGYSFN-JQWIXIFHSA-N	225.401	4.683	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@H](C)C(C)(C)C	710746057	NXWBYNJXGFGNIA-AWEZNQCLSA-N	242.447	4.882	0	10	BJAE	
CC[C@@H](C[C@@H](N)CCC=C(C)C)C(C)(C)C	711211325	BWWXQMGVGFQBQS-KBPBESRZSA-N	225.420	4.523	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@@H](C)c1ccccc1	713129740	MFKGGBUSKITUMI-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
CC/C=C/C[C@@H](C)c1ccccc1Cl	714544072	WUWRILIFFPTSRM-SGUJLRQBSA-N	208.732	4.800	0	10	BJAE	
CCNC[C@@]1(CCC(C)=C(C)C)C[C@H]2CC[C@H]1C2	718750848	XHMJYWKUGHZPGS-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc(NCc2sc(C)cc2C)cc1	719422586	XFYRTJDTFYNSOS-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1CC1(C)C)NCCC	723179066	PRLBBNQVPGKWRF-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC1(C)CCC(NCC[C@@H]2CC=CCC2)CC1	1183325034	QMTPRSKJWHUIFU-KLAILNCOSA-N	249.442	4.681	0	10	BJAE	
CC(C)CS[C@@H](C)c1cccc(Cl)c1	1188094149	HNFNQXAYPUKZDO-JTQLQIEISA-N	228.788	4.790	0	10	BJAE	
CC1(C)CCC(C)(CN[C@H]2CCCC23CC3)CC1	1462351219	RAURQTGIDUAEGL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
c1cnc2c(c1)CCC[C@@H]2SC1CCCCC1	1656086308	OIDUDPBLTPMCIM-AWEZNQCLSA-N	247.407	4.525	0	10	BJAE	
CCCCN(CCCC)C[C@@H](C)c1ccccc1	1657218783	CEOVFUIKEYJRSQ-MRXNPFEDSA-N	247.426	4.692	0	10	BJAE	
CCC1(CC)CCC(NCC2CCCC2)CC1	1660902688	RFCKXACRWAAMPD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@@H](C)CC1CC1	1899400973	KNKFKGUULTWJRL-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCc1cscc1[C@H](N)CCC(CC)CC	1900695058	DTAQOEIELIXYMH-CQSZACIVSA-N	239.428	4.527	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)CCC(CC)CC	1900698137	SQNWIFVKIODQSK-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCC(C)=CCC(C)(C)CCNC(C)(C)C	1900869557	UPOXEZAAYQBJLA-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)C1CCCCC1	1905388037	IZEXPRFVQDZKKA-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)CC(C)(C)C[C@H](C)NCC	1905445076	ORKUKEMNTINCLA-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CCCC(C)(C)C	1907594918	UAPQSYRIHXGUQZ-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
C=CC=CCCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C	1911781833	PSHZOJWPVIEDBS-XJKSGUPXSA-N	234.383	4.540	0	10	BJAE	
CC(C)C[C@@H](C)N[C@H]1CCC2(CCCCC2)C1	1915856263	YHODIIUFRDLHFK-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@](C)(N)Cc1c(C)cccc1C	1920186904	PONSJMFZZNGSSK-QGZVFWFLSA-N	247.426	4.534	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@H](C)C2CCCC2)c1	1923881483	IDHOJITWWMZORK-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@H]2C=CCCCC2)C1	1925764128	VQDRVSSGCMMNOH-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1C=CCCCC1)NC	1925900139	CXHPKIQNLKJNBP-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@@H](N)c1sccc1C1CC1	1937051259	TUYVDFBLYWIFHO-CYBMUJFWSA-N	237.412	4.596	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CC1(C)CCCCC1	1940407808	JPCQVABLXNTRRD-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](CCC[C@H]1CC1(C)C)C(C)(C)C	1940873164	PUHAVHPMKPIIJD-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CCC1CCCCC1	1941264000	QAXMAFRWPUUEEV-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)CCCC1CCC1	1941469374	CGAXFQBGTFJWKS-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)CCCCCC1CC1	1941598655	YVXQJNGISRXOBM-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C(C)(C)C1CCCCC1	1944639122	BNUQWOGAFMXQPT-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@@H]1CCC[C@H]1C	1944849227	KVPCNSSCQVWDBY-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCC1(NC[C@H]2CCC[C@@H](CC)C2)CCC1	1945282962	QKIIXXZENWXGOZ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCCC(C)(F)F	1947987467	FPFPTADJPKNVJU-UHFFFAOYSA-N	242.309	4.543	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@H]1C=CCCCC1	1949119719	HVIFZYXBSQWJBK-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1CC2(CCC2)C1	1949841375	BDQNGVHURKGMFU-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCC1(O)CC2(CCC(C)CC2)C1	1950545553	NZAWWXYJBUWURS-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@]1(CNC(C)(C)C)CCCC(C)(C)CC1	1950922070	LEXPPRDXHHMOHX-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN(CCCCCC1CC1)c1ccccc1F	1966143195	GLBWTAPOLJQXNV-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](CC)C1CCCCC1	1969165046	LELXEKMFBZJFHI-XJKSGUPXSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)C1CC(N[C@@H]2CCCC3(CCC3)C2)C1	1970505190	OTDLAUQADWHGCJ-SHARSMKWSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC(NC2(C3CCCCC3)CC2)C[C@H](C)C1	1970595606	KMGQCIPJCFNLHX-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(NC2CC3(CCCC3)C2)CC1	1972914205	OXNGBWLHRMEFBF-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@H](C)C(C)(C)C	1988779598	AMDLJVWMKPVBSJ-DZGCQCFKSA-N	225.420	4.523	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1ccc(Cl)c(C)c1	1993199942	ALYHMJOEJUFUDN-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CC1(C)CCC[C@@H](NC2(C)CCCCCC2)C1	1995827938	ZZVXPUGPOGFQAD-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC[C@H](C)C(F)F	1996095662	WKPRGHAJFRPAPR-RYUDHWBXSA-N	248.357	4.699	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)CCC1CC1	1996364053	TXPCAQNUTAUADV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCCCC(C)C)C1(C)CC=CC1	1997548876	KKWIDPSRUIBCED-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCC1(C(=O)C[C@H](C)CC(C)(C)C)CCC1	2000192747	ZSQUHUDCPZIOQI-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCC(=O)c1cccc2sccc12	2000196109	COWUYTXEXXSKRB-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1[C@H]2CCCC[C@H]21	2000214776	IKWKQPJPQHVLCE-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)NC[C@]1(C)CC=CCC1	2001693309	GJRGRSXFJXDIEC-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CCCC2(CC2)C1)NC	2003217008	HECAABGYLSWNIS-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)CC1CCC2(CC1)CC2	2003285662	RYYHTENSGLREFM-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
Cc1cscc1C(=O)C[C@@H]1CCCC2(CC2)C1	2003286493	DJERSTLOXCIYSL-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@]1(C)C=CCCC1	2003321103	MGSZKBYWCZPJRI-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CCC)NCC1(C)CC(C)(C)C1	2003410110	NDZFGWKVBJQICB-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(O)CCC(CC)(CC)CC1	2004353534	QGCLMGMVAAWTRU-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)CNc1ccc(F)c(C)c1	2004705864	KEDFACFFFADOTN-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CCC(CC)(CCC1(C)CC1)CNCC(C)C	2009537480	XQHFLPFQODFHCY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C1CC(=C2CC(CCCC[C@H]3CCCO3)C2)C1	2011087816	BRJOLZROLYWCMC-INIZCTEOSA-N	234.383	4.616	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C1(C)CCCCCC1	2011575215	GKQOHMQIOHAJGX-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CN[C@H]1C[C@@H](CCC(C)=C(C)C)CC(C)(C)C1	2012055093	FXZJOIAFVHEIKK-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
Cc1c(F)cc(N[C@H](C)CC(C)(C)C)cc1F	2013718240	OLKOAKHQAFPBQB-SECBINFHSA-N	241.325	4.510	0	10	BJAE	
CCCN[C@H](C)CCCCC(C(C)C)C(C)C	2015345367	RDRNRWBDDFATHS-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CC1(C(C)(C)C)CCC1)C(C)(C)C	2017138619	LUKMEENNYMDMAX-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCCC)C(C)=C(C)C	2017475238	LOPCJKKUZPJORM-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)C(C)(C)CC	2017746641	NAISFLJDIGPLQB-ZDUSSCGKSA-N	233.399	4.876	0	10	BJAE	
CCCC1(C[C@@H](NC)C(CC)(CC)CC)CC1	2019005808	IZQANKLKDWORPM-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)N(C)[C@H](C)[C@@H]1CCCC(C)(C)C1	2019296961	FCOOWGXKIZMBGZ-ZIAGYGMSSA-N	239.447	4.712	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H](C)CC(C)(C)C	2019339378	AUFJIEIQDWPNAV-HNNXBMFYSA-N	241.463	4.959	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@H](C)C2CCC2)CC1	2019772185	YPBKKSHWGOJFNZ-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](O)(C[C@H]1C[C@H]1C(C)(C)C)C(C)(C)C	2022455569	XMGBVHKMWVTRIG-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)CC1=CCCCC1	2022555512	YBVNKABJCHOPQV-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
CCCCC(=O)CC[C@H]1C[C@@H]1C1CCCCC1	2022560787	RETHDWSXOCFUJV-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CC[C@H](CCCC(C)(F)F)NC	2023311027	YIGLTBFBODSMQQ-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CCCCC(C)(F)F	2023343266	BMCADJBSGOPJBB-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@H]1CCCC(C)(C)C1)NC	2024101438	KQDRBOBJBFLCQW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC1CC2(CC2)C1	2026139989	BLZFKINGYLTBSB-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)Cc1csc(-c2ccccc2F)n1	2026531297	MDHQILUAWMFBET-SNVBAGLBSA-N	249.354	4.538	0	10	BJAE	
CN[C@@H](CC1CC(C)C1)c1ccc(C(C)C)cc1	2027601694	UNZQFLLTZFPUSO-KVULBXGLSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H](C=Cc1ccccc1)[C@H](C)CCC	2028584387	UUINZAGNGJRQBF-WBVHZDCISA-N	245.410	4.504	0	10	BJAE	
CC1(C)CC(CC[C@@H]2CCc3ccccc3N2)C1	2028907324	YADJVYGDQRNVPN-OAHLLOKOSA-N	243.394	4.630	0	10	BJAE	
CC1(CCCC(=O)[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)CC1	2029601831	ZAANMOKYTZMWHI-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
C1=CCC2(CCCCC2)N(C2CCCCCC2)C1	2032662906	DKJKNNUIYFUMCC-UHFFFAOYSA-N	247.426	4.674	0	10	BJAE	
CC(C)(N[C@@H]1CCC12CCCCC2)C1CCCC1	2033152351	KKMQVQYNDYTZCO-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CC[C@@H]3CCCC[C@H]32)C1	2034255051	AHQMBCSQISRQGA-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)c1ccccc1C(C)C	2035501226	WERVNKHHHWEXMJ-YOEHRIQHSA-N	246.394	4.598	0	10	BJAE	
CCC1(C)CC(CN[C@@H]2CCCC23CCCC3)C1	2036485402	PJGSGEMLJSEGFA-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1C[C@H]2C=C[C@H]1CC2)NCC	2036494047	HXASCBOHSVZHJC-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@H]2C[C@@H]2C2CC2)CC1	2037128843	WLXJMBRAJQYMMN-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@H]2CCC[C@@H]2C)cc1	2037189136	OKZKTMIIJRLTEM-XKQJLSEDSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2037681122	CXAFJTPVVBDLID-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@H](O)[C@@H]2CCC[C@@H](C)CC2)cc1C	2039358985	HBNCQJRBQUMHEI-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
CNC[C@]1(C[C@H]2CC[C@@H](C)C2)CCC=CCCC1	2040175005	FQLFQMBZAISBND-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC[C@H]2C[C@@H]2C1)C1CCCCC1	2040652161	XMTMXLURERASSP-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC[C@@H]1C[C@H]1C1CC1)C1CCCCC1	2040652501	ZQHIRKVIPFHRDX-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@@H]1[C@H]2CCCC[C@H]21)C1CCCCC1	2040678559	UZQVBWGVUVWKSZ-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1	2041384028	RNQONMWJJNRVSC-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@H](C)C1CCCCC1)C1CC=CC1	2042018200	CGNUTBDUWGUNMD-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)C1CC=CC1	2042024767	OXWSBVXSHXOPOI-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1([C@@H]2CCC[C@@H](CC)C2)CC=CCC1	2042088870	JTUOJJGWYVHAGL-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CC[C@H]1N[C@@H](c1ccccc1)C(C)(C)C	2043675031	CQJYHATXGHJLJX-BMFZPTHFSA-N	245.410	4.552	0	10	BJAE	
C[C@@](N)(C[C@@H]1CCC=CCCC1)C1CCCCC1	2045311946	MFZQAHUDYAXKME-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCCC1([C@@H](C[C@H]2CCC=CCCC2)NC)CC1	2045323062	JMFGTACXCPRFDR-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CC[C@H]2C[C@@H]2C1	2045571318	SYDOSQVMHHCRSZ-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)C[C@@H]1C=CCC1	2045985360	XCRPMPPYBBKOHV-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
NC1(C[C@@H]2C=CCCC2)CC2(CCCCCC2)C1	2046232087	RMBHSODHIGNOEI-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCCN(C[C@@H]2CCC=CCCC2)CC1	2046570188	DZEMDKQHSAMRLF-DLBZAZTESA-N	249.442	4.635	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047438556	TZTQBYAWUUXBIA-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
N[C@@]1(C[C@H]2C=CCC2)CCCCC12CCCCC2	2047558347	CGNQWPJCMZXCSC-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)NC[C@@]1(C2CCCC2)CCC12CCC2	2047943329	QIGHAKLAPKQLLM-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048470635	UDYRPWKWZBVNIA-FVQHAEBGSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)ccc1F	2049539034	DMPBOAOKRGKGHN-MRVWCRGKSA-N	249.373	4.761	0	10	BJAE	
CC1(C(=O)CC2CCC3(CC2)CC3)CCCCC1	2049951699	QSSBGVPGIZAHDT-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1CC(C(=O)C[C@H]2CCC3(CC3)C2)C[C@H](C)C1	2049961252	CUNSRYXICVQBIA-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@]1(C)C=CCCC1	2049997779	QAWCONUKIQJOLY-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CCC1(CC)CCC2(CC1)Nc1ccccc1O2	2051611032	ARYYDKSTEFKIMS-UHFFFAOYSA-N	245.366	4.568	0	10	BJAE	
CC1([C@H](N)CC2C[C@@H]3C[C@H]3C2)CCCCCCC1	2052475846	PGIWUXGVWJSBBX-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2C=CCCC2(C)C)CC1	2055533720	WMZNWWIWJQTKIJ-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@H]2C=CCCC2)CC[C@@H]1C	2055601448	PGOVITMUKGSURI-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1CC2(CCC(N)CC2)C1	2056617711	WCGKSWSJQKQOSC-STXJZCLZSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(N)(CC2CC(C3CC3)C2)CC1	2056647894	IZOMFYNRKFDGNS-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](N)c1ccc(C(C)(C)C)cc1	2059206259	KPICYANMHJKSMC-MRXNPFEDSA-N	245.410	4.730	0	10	BJAE	
C/C=C/CCCN1CCCC[C@H]1C1CCCCC1	2059207277	PTISZFVCNFDCCO-YATRRXNKSA-N	249.442	4.778	0	10	BJAE	
CCN[C@H](CCC1CCC1)C1=CC[C@@H](CC)CC1	2061084001	HEDYWDKNONGSOV-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)C2(C(C)C)CCC2)CC1	2061145957	CQACITOWYWRCDS-HOCLYGCPSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](C(C)C)[C@H](CC1CC(=C2CCC2)C1)NC	2061737796	VGAHHWMAMFFESV-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
C1CCCC(CN[C@@H]2CCCCCC23CC3)CC1	2062020030	LHYSIABLNSDGOO-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)CC(C)(C)CC2(CC2)C1	2062648190	YQDNICXWIMYMOT-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1OCC1C[C@@H]2CCC[C@H]2C1	2063531637	NJKVFSZLGUYMKO-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@@]3(C)C[C@H]23)cc1	2065658548	UGWHSJNNUFLMSK-DXEWXGHRSA-N	243.394	4.801	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@@H]2CC[C@@H]2C1)C1CCCC1	2068701606	FDUSMWZBBBESRP-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@H](N)C2(CC3CCC3)CC2)CC1	2069567766	VWVOFBIXALFZOW-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1(CC2CCC2)CC1	2069584836	JBUJVCWEVXYUHS-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(CNc2ccc(CF)cc2)CCC1	2071943545	OEEHEQROQLMVFN-UHFFFAOYSA-N	249.373	4.784	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@]23CCC[C@@H]2C3)CC1	2072680990	CTLXIXCTMJJFMC-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C[C@@H]2CC23CCC3)CC1	2072704204	JUZXFDQGMIQPBN-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@@]23CCCC[C@@H]2C3)C1	2074114282	QWACQSFJGDOOIC-HNLJFRNMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H](N(C)[C@H]2C=CCCCC2)CC(C)(C)C1	2075402208	VDAPZDFPVBZRBR-OWCLPIDISA-N	249.442	4.632	0	10	BJAE	
CCCN(C1CCCCC1)[C@@H](C)c1ccccc1	2076586282	OFIFBVFEKSLKCT-HNNXBMFYSA-N	245.410	4.792	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1C[C@H]2CCC[C@@H]2C1	2077198261	ZKYZZJIYZNNSNZ-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H](Nc2ccccc2C2CC2)CC[C@H]1C	2077264721	YXZXVUMIIAXSIF-IPYPFGDCSA-N	243.394	4.801	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1C[C@H]1C1CCC1	2079330778	ABIQWKVUUBJUHW-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@@H]1C[C@H]1C1CCCCC1	2079429420	WRLCGMFLUYAPCA-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNC1CCC2(CCCC2)CC1	2079451967	UNXKDXRECXJARE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1nn(C2CCC2)c(Cl)c1C(C)C	2079721605	NSUYJTAYSPQZHM-UHFFFAOYSA-N	240.778	4.508	0	10	BJAE	
C[C@](N)(CC1CC1)C[C@@H]1C[C@H]1C1CCCCCC1	2079819706	OFZXPGXVEJCXOB-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C[C@H]1C1CCCCC1)C1CCC1	2079862370	IFXOTISXVILHFT-MAZHCROVSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1[C@](C)(O)C[C@@H](C)C(C)(C)C	2081209958	VKUJZOKJUKLZIG-CXAGYDPISA-N	248.410	4.529	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1=CC[C@@H](CC)CC1	2081777210	BWQBLYNYWSQSEQ-WBVHZDCISA-N	249.442	4.847	0	10	BJAE	
CCC[C@](N)(CC)CC1CC2(C1)CC1(CCC1)C2	2083617494	NFGKGWVDGFUVMA-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
Cc1csc(C(=O)[C@H](C)CCC(C)C)c1C	2210577134	IALFPZGYMAMRTA-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
CC[C@H](CCCC(C)(C)C)CN[C@H](C)CC	2212583501	GQOQAFBSHBLNAJ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@H](CN[C@H](C)CC)CC(C)C	2212596695	KGKHFHFJSZUMOF-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213284716	KOHDDIGCWAPRSM-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](C)(N)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213295808	DEFLJWOKISFBLB-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@H](O)CCCCC1CC1)CC(C)(C)C	2214583968	PYDRUJFRNQRTAH-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC[C@@H](O)CC1CCCCC1	2215237621	QUTLXSNHSWLTAZ-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1C[C@@H]1CCn1ccc2cccc(Cl)c21	2215347579	YAQNFWNGKFDKMR-AAEUAGOBSA-N	247.769	4.731	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC1(C)CC2(CCC2)C1	2215393778	NVDGHNUQJKFOCW-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@](C)(N)CCCCCCCC1CC1	2216903620	SGSOXFSTCRTPCL-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](C)(CCCC(C)(C)C)CNC1CCC1	2217141538	SQJSTCGCDIFTGF-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](N[C@H]1C[C@H](CC(C)(C)C)C1)c1ccccc1	2218040317	QZQDOMBCXFRFDN-IIAWOOMASA-N	245.410	4.552	0	10	BJAE	
CC1(CC(=O)[C@]2(C)CC=CCC2)CC2(CCC2)C1	2221089297	ZELCMCOYYYBOJW-MRXNPFEDSA-N	246.394	4.662	0	10	BJAE	
CCc1ccccc1C(=O)[C@@]1(C)CC=C(C)CC1	2221645692	ZKZWYXKUIXNAFL-KRWDZBQOSA-N	242.362	4.568	0	10	BJAE	
CCCC[C@@H](NCCC)c1ccc2occc2c1	2224132468	WZDZXGNWMYGREU-OAHLLOKOSA-N	245.366	4.664	0	10	BJAE	
CCCC(C)(C)[C@H](NC)c1cccc2ccoc12	2224161828	DOPMZDPMJRBSLJ-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@](C)(O)CC[C@H]1CCC[C@@H](C)C1	2242791626	VROXDOVUHQROOU-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H](CC)CCC	2244799419	BKJXJTQRVBNDPN-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CCCCCCC1=O	2247118119	GIVBTHJLKRLKNC-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@](C)(N)C1CCCCC1	2247162886	IRWWONZJSLAABQ-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CCC12CCC2)NCC	2247441448	OPAKPFLOBMEADX-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC1=CCCCC1	2247527188	GWORALBSZRIMBM-INIZCTEOSA-N	237.431	4.778	0	10	BJAE	
CCC[C@H](C)CCNCCCCC[C@@H]1C[C@@H]1C	2248880492	SMMNGBYFLGYYPA-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)CC1(C)CC1	2250470099	WKGQIHOZLYQUBE-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](O)CCC1CC1	2250474414	HPACKRVQJQUYHH-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)[C@@H](C)C1CC1	2250531462	YCNNXVBXANTSSX-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@](C)(CN)C[C@@]12CCCC[C@H]1CC2	2251221583	OFYKDVRKEOUCPV-JYJNAYRXSA-N	237.431	4.502	0	10	BJAE	
CC(C)=C(C)C[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251725379	VVMZOPYUWRFFSK-CYBMUJFWSA-N	236.399	4.764	0	10	BJAE	
CC1CC(C)(C[C@]2(N)CC(C)(C)CC3(CC3)C2)C1	2253658341	OAIBNKCBBNDJJM-PUJMQQBBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(=O)CC[C@H]1CCCCC12CC2)C1CC1	2253798100	WWJWTUSTCMGCPC-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCCC1CCC1)C[C@H]1CCCCC12CC2	2253818569	SEXQZVWCMKCQHI-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)CC[C@@H]1CCCCC12CC2	2253839379	NHCFTBXCNBNZFY-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC1([C@@H](N)CC[C@@H]2CCCCC23CC3)CCCC1	2253848183	BXBYLSJXUNRWLL-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C1CCC2(CC1)CC2	2254595186	SQZNWHZILAPUIE-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2CCC23CCC3)CCC1	2254907413	IOPHGSQNXLETPB-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC12CCC2)[C@H]1CC1(C)C	2255018269	ZLOFDBCLPVRGLE-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)C[C@@H]2CCC2(C)C)CCC2(CC2)CC1	2255018652	PUUCGKBEOSCHJR-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](O)(CC2=CCCCC2)C1	2255055062	AVBVOWNZSQTEFS-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC(Nc2cc(C3CC3)ccc2F)C1	2259128947	UUEBZVIJGBFMEL-UHFFFAOYSA-N	247.357	4.694	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1CC2(CC(C)C2)C1	2259517760	WDZROKMZRBSFQO-LYOOIAODSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@]23CCC[C@@H]2CC3)C1	2260569578	WWAQOZYYICVUMZ-RUCLQGLUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2C[C@H]2C2CCCCC2)C1=O	2261436544	RCSVFXRQSIBMLW-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CC1CC(CC[C@H](N)C[C@@H]2CCC=CCCC2)C1	2261490500	LHNHBVMROFPCFW-MYBQVCMBSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@@H]1C[C@H]1CCC	2297876303	LRQQAKNQLQXRSW-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@@H](C)CC1CC1	2298848974	DTLDFBXNBQWUBZ-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@H]1C=CCCCC1	2300468519	KLLZNDSMLUCOKO-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CC[C@H](CC1CC(CC)C1)NC	2300675682	HIADWAYKHBTGAD-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1C[C@H]2CCCC[C@H]21	2300681592	QKIFTBMMZWCFRG-RBSFLKMASA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cccc(C)c1C	2300681612	QVCIXIOHIDMCAK-INIZCTEOSA-N	233.399	4.520	0	10	BJAE	
CCC(CC)CC[C@H](C)[C@@H](C)CNC(C)(C)C	2300699290	FRUMQCOZEJBTKQ-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CC=C(C)CC)CC1	2300899690	QMQVKXSLGDIAPK-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CC(=CCC(=O)[C@H]1CC[C@@H]1C)CCCC(C)C	2300920827	KGOURDMMRSQXIY-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
CC(=CC1CCCCCC1)c1cccc(N)c1	2301145661	QKDRZXBUKTVSHX-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@H](C)[C@H](C)C(C)C	2301961828	OAKNDGMWOMBGID-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(CC)CNC[C@@H]1CCC(C)=C(C)C1	2303600079	CIGSXRLALMLARX-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)c2csc(C)c2)CC1	2303602514	WJOXGXCWGZUXPI-CYBMUJFWSA-N	248.391	4.766	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CCC)CNCC(C)C	2307833163	ZEGOSVLISFIOCX-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H](C)C1CCCCC1	2307904252	RYDATZHEWVVRRI-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CN)C1CCCCCC1	2307929444	ZDRVUBZHFMMQHH-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CC[C@@]12CCC[C@@H]1C2	2310381758	KGCQASXTMIHLTA-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(N)C[C@H]2C=C[C@@H]1C2	2313232461	CINJZJBGPUVNSA-NXOAAHMSSA-N	249.442	4.523	0	10	BJAE	
N[C@@H](CC1CCCCC1)C(CC1CC1)CC1CC1	2313665215	NCLDWJXFZYHZQM-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H](C)c1ccc(C)cc1	2316253390	XKDKFZLUXPDMJD-AWEZNQCLSA-N	246.394	4.884	0	10	BJAE	
O=C(CC1CCCCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316752600	PREOZSNWBWMLLW-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC1CCCC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316881477	QFVBSNKJGMAWRE-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1CCCC1=CCCCC1	2318589682	SZQKRZUMXPKOCM-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(CN)CCCCC23CC3)C1	2319327091	SVWYZRFAICLQFY-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1C[C@H]2CCCC[C@@H]2CN1	2319869995	IWRLXKGWHJRHON-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CCC23CCCCC3)CC1	2320237648	MDWCRJSLHAQOAE-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CCCCC[C@@H]2C)CC1	2320423156	KPTJXACPIQRTDC-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1cccc(C2CCC2)c1	2320649867	GXUUXORWPGRLBP-DCGLDWPTSA-N	246.394	4.670	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@H](CC1CC1)C1CC1	2320814683	XWXZDUBSFJEFMH-SJORKVTESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CCN[C@@H]2CCC23CCCC3)C1	2321612424	AYHOZLQWUASDRD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CC=C[C@@]2(C)CNC(C)(C)C2)C1	2321637839	VSSRADKAKQWFQI-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CNC3(CCCC3)C2)C1	2321651251	XLPPMNARIHLQED-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](Nc1ccccc1Cl)c1ccc(F)cc1	21014598	PTWJYDQZIAPPBH-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccc(C(F)(F)F)cc1	21507492	PGCMZVZJQWNCIM-NXEZZACHSA-N	245.288	4.552	0	10	BJAE	
CCC1CCC(N[C@@H](C)CCCC(C)C)CC1	21812836	VRUYKRVZMOXMSQ-FHERZECASA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@H](C)NCc1ccc(C)s1	34995383	ATCJHMGIKYNOKG-LBPRGKRZSA-N	239.428	4.505	0	10	BJAE	
CCC(CC)[C@H](NC)c1ccc([C@@H](C)CC)cc1	35469295	VWLAXSCFCHQSGS-GUYCJALGSA-N	247.426	4.897	0	10	BJAE	
c1cc(SC2CCCC2)ccc1NCC1CC1	37085931	XVFZPDIMQILOLZ-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(O)C1CCCCC1	37375835	WCECNQGRKDDDOY-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccc2oc(CC(C)(C)C)nc2c1	62530304	NCZIUNWLZSUDLX-UHFFFAOYSA-N	231.339	4.540	0	10	BJAE	
CCCCCCN[C@@H](CC)C1CCCCC1	71106555	ZWKNYGFBPUZGPV-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
C1CCCC(N[C@H]2CCC[C@@H](C3CC3)C2)CCC1	81623672	KQZXLFDTNFGLOC-WBVHZDCISA-N	249.442	4.658	0	10	BJAE	
COc1ccccc1Nc1ccccc1C(C)C	82715533	JXJITHVOBMWCQP-UHFFFAOYSA-N	241.334	4.562	0	10	BJAE	
CCc1cccc(O[C@@H]2CCC[C@H](CC)C2)c1	85150987	MDKDLGHOBTUXDX-GOEBONIOSA-N	232.367	4.597	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CCC)CCCCCN1	85876244	XLWJQTVWIIWLPR-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CC(C)C1CCC(C(=O)CCC(C)(C)C)CC1	87959878	JWVRDPPRSNBYAC-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)c1ccc(CNc2ccsc2)cc1	90866723	BVFUNBFIGZZTLT-UHFFFAOYSA-N	245.391	4.658	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)c1ccc(CCC)cc1	92596323	KYBIFGUEDAKAEO-PBHICJAKSA-N	247.426	4.521	0	10	BJAE	
CCN[C@H](C(C)C)[C@@H](C)c1ccc(C(C)C)cc1	92599518	RFQHFLCDVMWFMO-WMLDXEAASA-N	247.426	4.548	0	10	BJAE	
Cc1cc([C@@H](C)N[C@@H]2CCCCC2(C)C)c(C)o1	94279210	ISCLIHZFAYVLBD-IUODEOHRSA-N	249.398	4.516	0	10	BJAE	
CC1=C[C@@H]2C(=CC1)[C@@H](C)CC[C@@H]2C(C)C	96014252	JUQGWBAOQUBVFP-GUTXKFCHSA-N	204.357	4.581	0	10	BJAE	
Cc1cc([C@@H](C)NCCC2CCCCC2)c(C)o1	109897669	ZCIBZMHNRIMSOF-CYBMUJFWSA-N	249.398	4.517	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCCCc2ccccc21	109946645	JAJQRXAJEHHFBW-WMLDXEAASA-N	245.410	4.622	0	10	BJAE	
CCC[C@H](C)C[C@H](CNC(C)C)C1CCCC1	128260746	PUJGDHWMEXQXQH-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H](C)CC(CC)CC	128642383	IAUZGDLACZWEPJ-PBHICJAKSA-N	247.426	4.800	0	10	BJAE	
CCc1cccc([C@@H](O)CC2CCCCCC2)c1	132914036	IQYXEAQMBZRLNX-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)C1CCCCCC1	150022033	FCXZOLVBEPBORT-GDBMZVCRSA-N	239.447	4.904	0	10	BJAE	
CCN[C@H](c1cccc2ccsc12)[C@@H](C)CC	163271221	ZHPICGILKNFSGM-FZMZJTMJSA-N	247.407	4.598	0	10	BJAE	
CC1CC(N[C@H](CC(C)(C)C)c2ccccc2)C1	163666072	UKIVFOHYIVKBES-AVVWSFFYSA-N	245.410	4.552	0	10	BJAE	
CCCCC[C@H](O)c1ccc(C(C)(C)C)s1	165597394	VIOJGFRUMUYZCZ-NSHDSACASA-N	240.412	4.659	0	10	BJAE	
CCCC1CCC(C(=O)CCCC(C)C)CC1	165712263	FPVOZUMPSVUNNO-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1	166069054	KBVIAMKMPMYXQR-GZBFAFLISA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1C[C@@H](C)CCC1=O	216359389	PYRJCINRTYRCBL-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCC1(CC)CCC(O)(c2cccc(C)c2)CC1	221723026	NJGNZLACHVTIRW-UHFFFAOYSA-N	246.394	4.563	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)CC1CCCCCC1	229272861	JKOZUZDVZAGBCM-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](C1=CCCCC1)C1CCC(C)(C)CC1	233561951	HOJNHTAPOQXOBU-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2cccc3c2CCCN3)C1	233956074	RAUDYQNPONNSSR-ZIAGYGMSSA-N	243.394	4.729	0	10	BJAE	
C[C@H](Nc1ccsc1)c1csc(Cl)c1	235522332	MBNIBSIPUAKTLA-ZETCQYMHSA-N	243.784	4.636	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1C1CCC(=O)CC1	259057135	AVJFKYXLQASIFV-UHFFFAOYSA-N	244.378	4.519	0	10	BJAE	
CCCC[C@H](CC)Nc1cc(F)c(C)cc1F	300045117	WYERYEIQDLWOSC-NSHDSACASA-N	241.325	4.654	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCC[C@H]1C	300234788	OZBFFZLHSFCDRG-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@@H]1CCC[C@H]1C	300280749	XEZORPMNQBTYEG-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	300464471	JTBTZTROUXFQCA-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](c1c(C)cccc1C)[C@H](C)CC(C)C	302564541	NIZOLPOSLJSDPC-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CCc1cccc(C)c1NCC(C(C)C)C(C)C	302572732	PPDGWVXAJPNUNT-UHFFFAOYSA-N	247.426	4.898	0	10	BJAE	
CC1(C)CCC(C(=O)CCC2CCCC2)CC1	304129121	SNQLFYBCKRQKLZ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(Cl)cc2sc(C(F)F)cc12	306572239	ARUNBFTZLDPHJU-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@](O)(CC(CC)CC)C1CCCC1	313395361	HJIZVAQBBAENGD-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)C[C@@]1(CNC)CCC[C@@H](CC)C1	316888287	MWRUBNOURHDXAQ-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@@](C)(CC)CC/C=C/c1ccccc1	317222531	BZJPGDGWAUSSFV-VEMDQMBVSA-N	245.410	4.506	0	10	BJAE	
CC1(CC2(CNC3CC3)CCCCCC2)CCC1	318003476	ZXQCQECLHRXBFM-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C)NCC1(CCC2CC2)CCCCC1	318700963	IGLFQLXELFBTDJ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@]1(CNCC(C)C)CC[C@@H](C)C1	319220340	PSUWWBFJGHIWFT-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](O)(C1CCC1)[C@H]1CCCC[C@H]1CC	322826374	HXUYIBMDXDAMSB-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC(CC)CC)c1cc(C)cs1	379221283	PVTNNMPRGKVHGM-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCNCC/C=C(\C)C[C@@H]1CCC[C@H](C)C1	383518653	MYQSXQHZYWMIPS-VLYJJQRNSA-N	237.431	4.539	0	10	BJAE	
CSc1ccc(NCCC2=CCCCC2)cc1	385176884	MWUHZYHMILOCAZ-UHFFFAOYSA-N	247.407	4.711	0	10	BJAE	
CC(C)C(Nc1ccc(C(F)F)cc1)C(C)C	386360067	WCPSJSSDYSRGNG-UHFFFAOYSA-N	241.325	4.717	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1C[C@H]1CC(C)C	387920770	PYKQNJLKWISUDX-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C[C@]1(O)CCC[C@@H](C)CC1)c1ccccc1	395234137	CZDUDDLAHJGLOF-VYDXJSESSA-N	246.394	4.512	0	10	BJAE	
CCc1cc2cc(CC)c(C(F)F)cc2s1	396165734	FUMJKOGAEFZGCK-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCOc1cc2sc(CC)cc2cc1Cl	396187887	JQTHGCIAHNXPQO-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CSc1cc(C)c2scc(C(F)F)c2c1	396414122	ZABXXWCGAXYTLZ-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@](O)(CCC1CCCC1)[C@@H]1CC1(C)C	397603063	GNNIRWIOSCSNAT-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](NCCC(C)(C)CC)c1ccsc1	686305731	ZYLGUPSORYCWSU-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCCC1(CN[C@H](C)C2CCCCCC2)CC1	687540618	MOAXXIUYGFYAAQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)Nc1cccc(SCC)c1	689699056	IGHXDWQJNVWMCN-LBPRGKRZSA-N	237.412	4.789	0	10	BJAE	
CC[C@@H](Nc1cccc(C2CC2)c1)[C@H]1CC1(C)C	690112186	UMOSMLIUXRLFAL-HZPDHXFCSA-N	243.394	4.801	0	10	BJAE	
Cc1c(Cl)cc(N[C@H]2CC[C@H]2C)cc1Cl	690293615	BEEQBRCCEHRSFS-KRTXAFLBSA-N	244.165	4.512	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1N[C@H](CC)CC1CC1	691170367	HAAWXBGETZHAKJ-XHSDSOJGSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@]12CCC[C@@H]1C2	693146463	STVJXCOAIVBKBI-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)NCC1C[C@H](C)C[C@@H](C)C1	695299368	JODOVBIRQWJFCO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1ccc2ccccc2c1	696176333	IPYDNMZKJKDNQS-MRXNPFEDSA-N	241.378	4.666	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)c1ccccc1C	696596080	XNMUZGAQQFMKJK-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@@H](CC)CC(F)F	701538893	NUTOPIWTVWOVHY-AGIUHOORSA-N	249.389	4.602	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)c1cccc(C(C)C)c1	701539695	WZSJWWKVINNZNJ-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CCCC[C@](N)(CC)[C@H]1CCCC[C@@H]1CC	702027741	UMTCDDHEHDMPFM-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CCCc1ccc([C@H](N)[C@@H](C)CC(C)(C)C)cc1	704736508	PCKFIMZOMYQFIZ-XJKSGUPXSA-N	247.426	4.711	0	10	BJAE	
CCCc1ccc([C@@H](NC)[C@H](C)CC(C)C)cc1	704752297	JLTXBUNTJRPSNC-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@@H]1CCCC12CC2	706310188	KEYXCLJIXKKBGZ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)C1NCC[C@H]1CC=CCC1	706891811	KCGATVDCBRHIRQ-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)c1ccsc1	707674496	UHOBUHGKIGURLO-AWEZNQCLSA-N	239.428	4.529	0	10	BJAE	
C[C@@H](CNCCC1(C)CCCC1)CC(C)(C)C	709110208	YEAKWHVCWWULEB-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@@H](C)C(C)(C)C	711171359	GPCXIOAEFRYAIJ-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@@H]1Nc2ccccc2C[C@H]1C	711278960	ZKHLTEMZTNZLDI-HIFRSBDPSA-N	245.410	4.876	0	10	BJAE	
CCC(C)(C)C[C@H](O)C1CCCCCCC1	713139243	VGPMDKPILCCHOS-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC(C)(C)C)CC1	713177157	ZWVGADRRDSPMII-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@](CC)(CNCC)CC(C)(C)C	713269986	AAEVMSMUHZWQRW-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@@H]32)C1	714309525	CAIIMQYAIAIBGP-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C1CC2(CCC2)C1)C1(CCC)CC1	717563351	OLMCSDNXXOVRCZ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)NCC1(CC2CCCC2)CCC=CCC1	718083891	XPTPDILLUWHAPY-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)C[C@H](C)CC(C)(C)C	718606632	SYNKMMWVPOOYRQ-DZGCQCFKSA-N	240.431	4.946	0	10	BJAE	
CCC[C@]1(CNCC(C)C)CCC=CCCC1	718977583	FSSNNYYWKXFPBZ-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@]1(CNCC(C)C)CCC=CCCC1	718977584	FSSNNYYWKXFPBZ-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CN(CC12CCC(CC1)C2)C1CCCCCCC1	1190780307	MKJXISBDPONZDF-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC(C)C)C(C)C)cc1	1461006513	HCJLRWNVBMWZFA-WMLDXEAASA-N	247.426	4.895	0	10	BJAE	
CCCc1ccc(CSc2cccs2)cc1	1640857191	AKBIJTQPLVFZNS-UHFFFAOYSA-N	248.416	4.993	0	10	BJAE	
Cc1ccc(CSCC(C)(C)C)c(C)c1	1641123814	CACOIABGADQECU-UHFFFAOYSA-N	222.397	4.583	0	10	BJAE	
CC[C@H](Nc1cccc2cc[nH]c12)C1CCCC1	1657864861	AFSJGUWXBZMKJK-AWEZNQCLSA-N	242.366	4.549	0	10	BJAE	
C[C@H](CC1CC1)N[C@@H]1CCCCC12CCCCC2	1875418155	GXTYVVBZURPVQD-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC(C)=CCc1cc(Cl)c(C(F)F)s1	1892928807	DVPMNKXARNAPDO-UHFFFAOYSA-N	236.714	4.848	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)CCCC(C)(C)CC1	1908551530	GEQYLWRBRUMIKQ-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC=CCN[C@@H](CC(C)C)c1ccccc1	1914681816	IUIZBVWSFDYTQF-KRWDZBQOSA-N	245.410	4.720	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CC[C@H]2C[C@@H]2C1	1919948623	OZVWBPMNVHYFSS-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(C[C@H](C)C(C)(C)C)c1ccc(C)cc1	1920482853	XSBGEVGIPVLVJO-YOEHRIQHSA-N	247.426	4.631	0	10	BJAE	
CC[C@](C)(CC[C@@H]1CC1(C)C)CNC(C)(C)C	1921423125	BGUWOWUATHKMGI-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC1(CC2(N)C[C@H]3CCC[C@@H](C3)C2)CCCCC1	1923466108	DEMFNOIRTCGGRB-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCCCC(C)C)CC1CC(C)C1	1925125210	NPDMCSGPPOEQFM-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC[C@H]1C=CCCCC1	1925823126	RNVSIDLGPYWJAL-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
C1=C[C@H](Cc2cncc3ccccc23)CCCC1	1925829740	JVAYSHGDVXRVQU-AWEZNQCLSA-N	237.346	4.524	0	10	BJAE	
Cc1cc(C[C@@H]2C=CCCCC2)c(F)cc1F	1925854210	LDMHWSLMXJRCIU-GFCCVEGCSA-N	236.305	4.562	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@@H]1C=CCCCC1)C(C)(C)C	1925900405	GDTORBNZKHBCHI-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)C[C@H](C)C1CC1	1925916126	SDDFEZYXJQFYAW-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@H](CC(CC)CC)NCCC	1926173124	CJLNUSSUEHXFHU-MRXNPFEDSA-N	237.431	4.703	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCC[C@H]1CC1(C)C	1940876106	JXUZAWPKTCFASP-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1csc2ccccc12	1941263212	NJSNJHZFAPSQEU-NHYWBVRUSA-N	247.407	4.583	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CCC2CCC2)CC1	1941472085	KBFJXVDFEKZJNJ-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)CC1CCC(C)(C)CC1	1941690993	WKQUUWNAKAOMMY-UONOGXRCSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](C[C@@H](O)C(C)(C)C1CCCC1)C(C)(C)C	1944611581	XAPFWVZKXFHKBC-GXTWGEPZSA-N	240.431	4.636	0	10	BJAE	
O=C1CCCC[C@H](c2csc3ccccc23)C1	1945621447	BAJJZSYFILEGHC-NSHDSACASA-N	244.359	4.518	0	10	BJAE	
CCC1(C)CC([C@H](O)CC2(C)CCCCC2)C1	1948408986	KTESDHMVCBJTTF-SHARSMKWSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@@H]3C[C@H]23)c(C)cc1Cl	1948808412	AXEXBRFDOGVXSH-DYEKYZERSA-N	249.785	4.557	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)C1=CCCCCCC1	1948952146	UBZGESWSLZNGKE-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)[C@H](C)CCC(C)C	1949082077	ZYOIUVYINASLHP-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC2CC=CC2)CC1	1950914964	VKZVFTZISQRKDF-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CC(C)=CCC[C@@H](C)C[C@H](CCN)C1CCC1	1952129625	KOMMITYIZCENJY-ZBFHGGJFSA-N	237.431	4.524	0	10	BJAE	
CCCCC1CC(Nc2cc(C)ccc2C)C1	1968230581	RVZVVJRTSJMWSS-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC1C[C@@H]2CCCC[C@H]2C1	1969956026	XYEMNTJADQLLKL-DZKIICNBSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H](C)c1ccoc1	1970466785	DIPCMJGVZXIISY-CJNGLKHVSA-N	249.398	4.679	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C1(C)CCCCCC1	1978452196	XTEAXOHQYXQLHG-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC[C@H]1C[C@H]1C	1985900326	UFFFCJZOUFPLGL-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)C[C@@H](C)C(C)C)c1	1988303054	QJQGWGRNZXRQBJ-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
CCC[C@H](CC)Nc1cc(Cl)c(F)cc1C	1995047090	DQNVWHABPIJSGI-JTQLQIEISA-N	243.753	4.778	0	10	BJAE	
CCCSc1ccccc1N[C@H](C)[C@H]1C[C@@H]1C	1996564642	SKRXBOUZHJGALP-XQQFMLRXSA-N	249.423	4.645	0	10	BJAE	
CCC(CC)(CC)[C@H](N)[C@@H]1CCCC(C)(C)C1	2000179227	OHANZHRSAVSMQB-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C(CC)(CC)CC	2000215446	VHUWVPYVCXOTJB-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](CCCC1CC1)CCC(C)(C)CC	2000370164	BCHIVLYTKPUQMC-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)C1(C)CCCCCC1	2000371794	JFWCTHRXRBOTAT-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C1CCCCC1)C(CC)(CC)CC	2000376525	NNZXIJHGIAEFJR-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)[C@H](C)[C@H](C)CC	2000513343	IPSHBYOXFWLKTR-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(O)[C@H]1CCC[C@@H](C)C1	2002999138	QNQRKJBBVOELJC-UGUYLWEFSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)[C@H]2CC[C@H](C)CC2)C1	2003067043	MBSCDKJLPMBYDO-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(CC(=O)[C@@]2(C)C=CCCC2)CC1	2003326586	NVRUQZGWXRZKHO-XUJLQICISA-N	234.383	4.518	0	10	BJAE	
CCC1(CC)CCC(O)([C@@H]2CCC[C@@H]2C)CC1	2006775610	WAPPBEFFFSPUTD-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CCO)C[C@H]1CCC[C@H](C(C)(C)C)CC1	2008714866	BCMWVGHFEXKMNM-ILXRZTDVSA-N	240.431	4.638	0	10	BJAE	
CCC1(C)CC(O)(CC2CCC(C)(C)CC2)C1	2009308489	NOHOBQXPKHJMHF-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](O)[C@H](CCCC2(C)CC2)CC1	2009421416	VGYWSTIOIXIWSU-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@@H](C[C@H](C)C1CC1)NCCC	2009597059	ZAITXXVPAZZODL-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C(C)(C)C1CC1	2009616933	NKXOPKHBFXNVPY-ZKKXHLJNSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C(C(C)C)C(C)C	2009634250	FFJPZVBZMKWGPE-HEWZJLJBSA-N	239.447	4.639	0	10	BJAE	
CCCC1CC(Nc2ccc3sccc3c2)C1	2009718553	ZSBMUOSGGRFQBE-UHFFFAOYSA-N	245.391	4.892	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C1=CC[C@@H](C(C)C)CC1	2010727012	UELKZAXFKIYHPA-UKRRQHHQSA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@](C)(N)C1=CC[C@@H](C(C)C)CC1	2010737189	ILGCYAVIKWVDBX-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC12CCC(CC1)C2	2012810610	RDULRJLMLCILDJ-PYBGIAKNSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@@H]1CCCC(C)(C)C1	2013309324	OLHSXBCIIKFTKS-HUUCEWRRSA-N	239.447	4.712	0	10	BJAE	
CC=CCCC[C@]1(CNCCC)CCC1(C)C	2014845612	GXFIUWSYIAQWDY-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCC1(C[C@H](N)CC2=CCCCC2)CCC1	2015642398	PXSPQWYGHDSKLY-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CCCC1(C[C@H](N)CCC2CCCC2)CCC1	2015643787	GOJBSFWNUVLBJK-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](CN[C@H](C)C1CCCCCC1)C(C)C	2016106412	NAVIIYXBJNPHRF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(C)CC(C)=C(C)C)CC1	2017468854	OBWKIHOCHRIQPW-JKSUJKDBSA-N	237.431	4.633	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)[C@@H](C)C(C)C)CC1	2017650096	CUCHZTNBWNISQT-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(O)CC2CC2)CC1	2017650208	DQONUYURYVVXIM-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@@H](CN)CC(C)C)CC1	2017730458	HSTHZVQOEVFCNW-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
C[C@@H]1CCC[C@@]1(C)NCCCC1CCCCC1	2017867017	BTMSMOVPFPMTQX-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](C)(CNCCC)CC1(CC)CC1	2018972686	FMVAIZUQQBKDTB-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@H]1CC[C@H](CC)CC1	2022416435	CNOXVNYATUYTDI-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)CCC1CCCC1	2022556882	JJAUNRYNXNOIPO-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H](C)C1CCC1	2023331375	JWDTZRDBUBGCJL-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC1(CC)CCC1	2023340672	WHJRZQARWKFYPK-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C[C@H](C)C1CC1)NC	2026168848	DFMBAFKIMGIVJD-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(C2=CCCCCCC2)C1	2026917296	CNJIBAXKRATAKK-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CNC[C@@]1(CC2CCC=CCC2)CCC[C@H](C)C1	2028869377	GYHOOWBSANBOCA-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1CC(C)(C(=O)c2ccc(C(C)(C)C)cc2)C1	2029103756	CKLYEQZICOTSSM-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
Cc1ccc(C)c([C@](C)(N)[C@H](C)CCC(C)C)c1	2029822681	FBXDDVYSDFGHHN-NVXWUHKLSA-N	247.426	4.550	0	10	BJAE	
CC(C)c1ccccc1NCC(C1CC1)C1CC1	2032150347	PZAYSESQRZHTFW-UHFFFAOYSA-N	243.394	4.658	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@@H]2CC[C@H](C)C2)cc1	2033404322	SNVMGBWSGRBSTJ-XJKSGUPXSA-N	244.378	4.504	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)c1ccccc1C(C)C	2035431162	PBIGXHOVHNCBBZ-PBHICJAKSA-N	245.410	4.564	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCCC12CCC2)C1CCC1	2035887438	UWRDGJZXTRUJEI-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC(C[C@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2037972391	MRXQASUISNAYOM-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC(C)C(c1nc2c([nH]1)[C@@H](C)CC[C@H]2C)C(C)C	2038007092	LERKCUBMOHDPMI-TXEJJXNPSA-N	248.414	4.806	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@H]1CCC2(CC2)C1	2038568137	OKLWIFBFTDBABI-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](N)[C@@H]2CCCC(C)(C)CC2)cc1	2039374757	HXPRSSJQFDBIMQ-ZBFHGGJFSA-N	245.410	4.601	0	10	BJAE	
CC1CCC([C@H](C)N[C@H]2CC23CCCCC3)CC1	2040637070	YEYWZRMYINRTDB-GRAKBVBRSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)[C@@H]1C=CCCC1	2043187393	LGURMQGRPWOMEL-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047428545	ZNJBNFZJUBMJIQ-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
Cc1ccc(C)n1C[C@@H]1C[C@H]2CCCCCC[C@H]21	2047448256	RIQZLKJJIPISKS-IXDOHACOSA-N	245.410	4.711	0	10	BJAE	
CCCN[C@@H](C1CC1)[C@@H]1CCCC12CCCCC2	2048120259	JWDMPEKRLOFYIJ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2048470328	NOPNKICRSPAOCE-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2[C@H]3CCCCC[C@H]32)CCCC1	2049796307	XQIUTUSGFOXOKI-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2C[C@@H]1CCC2(CC2)C1	2049859183	QDCGYEJXCRDYEQ-KBPBESRZSA-N	241.378	4.556	0	10	BJAE	
Cc1ccccc1[C@@H](O)C[C@@H]1CCCC(C)(C)C1	2050429887	ZQIZRULQKYOJDJ-HOCLYGCPSA-N	246.394	4.635	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CC(=O)c1ccc(C)cc1	2050466086	XECRXVHXNSSYOB-HOCLYGCPSA-N	244.378	4.784	0	10	BJAE	
CC[C@@H]1C[C@@H](CC2CCC=CCC2)C[C@H](NC)C1	2055035789	VXAVUNSAGMIACJ-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(N[C@H]2C=CCCC2(C)C)CC1	2055536730	PTUAVZQNHMGAKN-CKDBGZEDSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCC(C)=C2C)CC1	2055552899	UEUWAZMYHSSGHA-IXDOHACOSA-N	249.442	4.824	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(CN)CCC3(CC3)CC2)C1	2056522545	HUZIAXFKHLMKNF-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C1(C2CC2)CCCC1	2057604106	NUNLABVEFGELLE-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2CCCC3(CC3)C2)CC1	2058993073	YLCLHCVCPFTEGW-ZNMIVQPWSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@@H](N)c1ccccc1C(C)(C)C	2059198116	KVBHUHWUSZXFPE-MRXNPFEDSA-N	245.410	4.730	0	10	BJAE	
CC=CCCC[C@@]1(N)CCCCC12CCCCC2	2059206272	KRIIBWFTZKAHKQ-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC=CCCC[C@@H](O)c1ccc2ccccc2c1	2059220716	DMXJYUAMUKQEQW-QGZVFWFLSA-N	240.346	4.620	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H](CC)c1ccccc1	2059256179	NFKOSCOYVHDNLW-UPXOEVQQSA-N	245.410	4.515	0	10	BJAE	
CCCCC1CC(N[C@H](C)CC2=CCCCC2)C1	2059394794	BGUTTZDENSWLOL-ODIFPOPNSA-N	249.442	4.824	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C2=CC[C@@H](C)CC2)CC1	2060912982	IJMMHARFBADPGJ-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)CC[C@@H]2CC2(C)C)CC1	2061140981	RCQUNBLMFCVEKJ-FVQBIDKESA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)[C@@H]1C=CCCC1	2062654000	XGBJITNVKOYVDO-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063501229	NIZYZXOKVDEMJB-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CC[C@@H](Nc3cccc(C4CCC4)c3)[C@H]1C2	2065658647	USHDOIXPQDRADL-BRWVUGGUSA-N	241.378	4.555	0	10	BJAE	
CCc1ccc(CN[C@H](CC)CCC(C)C)cc1	2065989998	JIUKCQVXURLYJT-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)c1ccccc1C1CCC1	2070927072	QPYGPYVINHJMQL-PXAZEXFGSA-N	242.362	4.573	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CC[C@@H]1C1CCC1	2071788569	HPQDQQVATABWPP-IAGOWNOFSA-N	241.378	4.555	0	10	BJAE	
CC(C)(C)C1(CNC2(CC3CCC3)CC2)CCC1	2071949592	OFKGQAABYGYEJD-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](C)(N)CC1CC2(C1)CC21CC1	2072235551	AECDJNZVDMSUPB-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H]1[C@H]2CCCCC[C@H]21	2072422018	BIBAAWAFSWWWNZ-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H](C)c1ccccc1)C(C)=C(C)C	2072424836	LLZISFKDYFIENX-WMLDXEAASA-N	245.410	4.515	0	10	BJAE	
CCC1CCC(CC(=O)C[C@]23CCC[C@H]2C3)CC1	2072874644	DRSVDJGJQYNAIQ-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@]23CCCC[C@H]2C3)CC1	2074091799	SGWVAXDVMCQWII-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C1=C[C@H](N2CCCC[C@@H]2C2CCC2)CCCCC1	2074795293	UIFJKYNJOICCGR-DLBZAZTESA-N	247.426	4.530	0	10	BJAE	
CNC[C@]1([C@H]2C=CCCCC2)CCCCC1(C)C	2075373521	PLYDGKSSNHYOFO-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CC23CCCCC3)[C@H]1N	2076394935	GAKSMUIDQXDKCX-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](Nc1ccccc1C1CC1)C1CCC1	2077261895	HKKCEDFASGUVQQ-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CCC[C@]1(C[C@H]2C[C@H]2C2CCC2)CCCCCN1	2079312205	ORRKYPRWLJCVSU-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@H](N)[C@H]2C[C@@H]2C2CCCCCC2)CCC1	2079426349	AJEOKLBNPROFSN-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCNC[C@@H]1C[C@H]1C1CCCCCC1	2079461845	LXYZVXJCLXFHBM-SRPIJEGYSA-N	249.442	4.539	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC[C@@H]1C[C@H]1C(C)(C)C	2079618666	GYBXWHYVYRUUOR-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc(NC[C@H]2C[C@@H]2C2CCCC2)c1	2079640144	LLMCCUVEQWBORX-NVXWUHKLSA-N	243.394	4.542	0	10	BJAE	
C1CCCC([C@H]2C[C@@H]2CC[C@H]2CCCCN2)CC1	2079695935	NYCPNIRKXOVHKX-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1COc1ccccc1C(C)(C)C	2079816400	XXTBZVPXWFOHDA-KGLIPLIRSA-N	246.394	4.655	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]1C1CCCC1)C1CCCCCC1	2079867830	VVQZRUNXBNTYRK-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC(=O)CCCCCCC1CC1)C(F)F	2213578530	NFNITIMLLPXLAN-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCN[C@H](C=C1CCC1)c1scc(C)c1C	2213650899	MSGVDOJYDIWNNU-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2CC(C)(C)C2)CC1	2215824332	RSIRKDUEDRHELZ-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1c(C)cccc1C	2215996394	IFEFAKILKAWWHS-MRXNPFEDSA-N	233.399	4.520	0	10	BJAE	
C[C@@](O)(CCCCC(F)F)CC1CCCCC1	2216468151	MSUWGFGJRZGQCU-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
C(CCC[C@H]1CNC2(CCCC2)C1)CCC1CC1	2218718563	OVWIPDOJLWNGSD-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)CC2CCC1CC2	2218718865	SFZUSPFBXWUPOH-JCYILVPMSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1C[C@H]1CCC1(N)CCC(C2CCC2)CC1	2220880264	RKGXUYNFYQZNSE-MHABSNSOSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)[C@]1(C)CC=C(C)CC1	2221626723	SZZTZVZFXARZRI-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@]1(C)CC=C(C)CC1	2221640369	LJZNYAARNKKNRA-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
N[C@@H]1CCC[C@H](C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2222933908	POABGWREDHOIDG-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](O)CC[C@H]1CCC[C@H](C)C1	2242812410	JWSQRJYCZIPULX-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)CNc1cccc(C)c1C	2244802634	WVOKCWRBVWREEV-CQSZACIVSA-N	219.372	4.542	0	10	BJAE	
CC(C)NCCC=CCC[C@@H]1CCC[C@H](C)C1	2246687052	LLQCBGILZRXDHW-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CC1CC2(CCCC2)C1	2246815303	PQDOOWJKOBAFGL-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2CCC2(C)C)cc1	2247395562	YIWJIDDQSDAGDI-CQSZACIVSA-N	231.383	4.658	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CC1=CCCCC1)NC	2247531915	PYSVGIYYBBZARJ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)C(=O)[C@@H]1CCC2(CCCC2)C1	2250354090	ABKBJDPOJOQODJ-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](C)CC1CCCCC1	2250379218	BUVQNYGASFJESA-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CN[C@H](C)C1(C)CCCCC1	2250385863	SUSDWRUOWLHLPD-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@H]1CCC=CCCC1	2250392228	ZTBOLIIZDXNKNQ-ARFHVFGLSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)CCC1CC1	2250474415	HPACKRVQJQUYHH-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@]12CCCC[C@@H]1CC2	2251211126	JBSMMKZNVAYUIP-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCNc1cccc(C2CCCC2)c1	2251242036	BKAKVYZYOLTVES-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CCN[C@@H](C[C@H]1CCCCC12CC2)CC1(C)CC1	2253808121	DFCFOFAHVSNODR-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
O=C(CCCC1CC1)CC[C@H]1CCCCC12CC2	2253884957	XRUAOEIPXJGTGN-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2CCC23CCC3)C1	2253940104	XVPXVQVNJIZSSW-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@@H](C)C1)C[C@H]1CCCCN1	2253998936	WGIQTFJODUQNSB-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CNC2CCC2)CCC12CCC2	2254850604	AZAIJMQFGOVQIZ-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC1(C)C)C1(C)CC=CC1	2254990199	SQYPXDAVNLLKKF-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C(=O)CC1=CCCCC1)c1ccccc1	2255142464	CAIZDNIKKWAJBA-INIZCTEOSA-N	242.362	4.640	0	10	BJAE	
CC(C)C1CCC([C@@H](N)CC2=CCCCC2)CC1	2255142989	GUTWWSIKOJABFO-JCYILVPMSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CC[C@H]1CCCC12CC2	2255317136	FZDYBDIVJGZMLB-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CNc1cccc(C(C)(C)C)c1	2257904797	DCFYGLZVBYJNFR-XJKSGUPXSA-N	245.410	4.688	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)c1cc(C)cc(C)c1	2259452750	IGCHYFIPZUDYQD-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CCc1ccccc1NC[C@]12CCCC[C@H]1CC2	2260621467	LPTCJJCEEMTGSL-DOTOQJQBSA-N	243.394	4.631	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@]23CCCC[C@@H]2CC3)C1	2260658387	OWDDFXPDDDKQNG-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H]2[C@@H]1C(=O)C21CCCCC1	2261385124	HDYXKQCDDWUDRD-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@H](C)CC1CCC1	2298869437	KMWIZWWRFJJCIU-GDBMZVCRSA-N	239.447	4.712	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)[C@H](C)CC1CCC1	2298903904	DGWFZVPJLQLZNB-HIFRSBDPSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)CCC(=O)c1ccc(C)cc1C	2300703944	LSDUBRVTAWPGGD-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CCCC[C@@](C)(CC=C(C)CC)CNC(C)C	2300861004	MTXVFBXDLSEZRC-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@H](CC=C(C)CC)C1	2300897935	YVFLQOWNYWJWTK-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCCN(CC1CCCCCC1)[C@H](C)CC	2301139915	KCBBISAJGWVWLB-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCCC[C@](CC)(CN)CC1CCCCCC1	2301141128	WBHYFSNLNKBFSK-INIZCTEOSA-N	239.447	4.892	0	10	BJAE	
CC[C@@H](CNC1CCC1)CC1CCCCCC1	2301238008	BVRSRXAAZWGBGE-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@H](C)[C@H](C)C(C)C	2301825950	PIWHOOORLZCEJN-JJXSEGSLSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1ccc(C(F)F)cc1	2301830304	WLCRTDMBQDVRPW-WDEREUQCSA-N	241.325	4.717	0	10	BJAE	
C[C@@H]1[C@H](NC2CCCCCCCC2)CC1(C)C	2302134445	FREXZDIDRUSAGH-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC[C@H](c2nc([C@H]3CC3(C)C)cs2)C1	2302263360	UPPSKILKHJOKNO-WDEREUQCSA-N	249.423	4.950	0	10	BJAE	
CCN(CCCC1=CCCCC1)CC(C)(C)C	2302351968	NZGHSXIZERSGQN-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@H]2CC[C@H](C)CC2)C1	2302756329	SIWSIOCMKQFUOL-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](O)CC2(C)CCCC2)C1	2302897887	BKCFLDRKPMGFIV-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@@H]3C[C@H]23)cc1Cl	2302908950	ZFOIWOABWURYCJ-ZLDLUXBVSA-N	249.785	4.639	0	10	BJAE	
CC[C@H](N[C@H]1CCC(C)=C(C)C1)c1ccsc1	2303456063	GUNBCQQMCDRSLD-GJZGRUSLSA-N	249.423	4.678	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)CC1CCCC1	2303474946	IRISUCDXUMQEDF-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC[C@@H]1CC[C@H]1C(C)(C)C)NCC	2303476186	FBHPESQAUVUCRV-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCCC(=O)[C@@H]2C)CC1	2303599898	APUMDRZUWDNVAT-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](C)[C@@H](CC[C@@H]1CCC(C)(C)C1)NC	2304434318	CTMWSLDFCOQHNM-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC=C[C@H](NCCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309181502	BIPJFFBATNSBFH-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@@]12CCCC[C@@H]1C2	2311144885	QNNSZNUVFQQVBW-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1CC[C@@H]2C[C@@H]2C1	2313032610	CMGUGUOCJDHFCO-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313349127	SHQQKVOVPMAPGD-QZWWFDLISA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](C(CC2CC2)CC2CC2)CC1	2313605955	JWJDBWBLDPCFFV-MLGOLLRUSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)C1CC2(CCCCC2)C1	2313625785	AHHZLEAASJZBJY-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCc1cc([C@@H](O)C[C@H](C)C(C)(C)C)ccc1C	2314702812	QPQYNJDFWAKNRL-BBRMVZONSA-N	248.410	4.663	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@H]1C[C@@H]1C1CCCC1	2316876511	WDKMRTXIOQLXHR-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
NC1(C=CC[C@@H]2CCCCC23CC3)CCCCC1	2318960393	LWNLNXIZDMFEBZ-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@H]2CCCCC23CC3)C1	2319123856	MXNRMONUHQJBKI-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC1(N)CC2(CCCC2)C1	2320257577	WCVYLAAFKWGJBD-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCN(C[C@H]1CC[C@@H]1C(C)(C)C)c1ccccc1	2320309846	FIWSYXQOEWUWJE-ZBFHGGJFSA-N	245.410	4.585	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C[C@H]2C[C@H]2CC)cc1	2320330952	MVTIQNQZLOEZJP-NSNWQYSKSA-N	245.410	4.636	0	10	BJAE	
CC1=C(C)C[C@H](CN2CCCCCC[C@@H]2C)CC1	2320389505	AUEAQTANEVTHMX-DLBZAZTESA-N	249.442	4.778	0	10	BJAE	
CC=C(C)[C@H](NCCC)c1cccc(C(C)C)c1	2320526501	BFQMJHGIIXYCDI-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CN[C@@H](CC1CCC1)c1cc(C)ccc1C(C)C	2327673199	MXIISYVYBUIMMN-KRWDZBQOSA-N	245.410	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1cccc(C2CC2)c1	2328209196	HVGBHPBHXJGCHT-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)c1ccc(CC)cc1	2328212373	GUNUHUHDPZJRHM-NVXWUHKLSA-N	248.410	4.673	0	10	BJAE	
CC(C)CCCC/C=C\CCCCCC(=O)O	14593455	MZPZEPZETFNSST-ARJAWSKDSA-N	240.387	4.794	0	10	BJAE	
CC(C)CNC1CCCCCCCCCCC1	20002867	IPQFKDOOYSPAGI-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
Cc1cc(C)c([C@H](C)Nc2ccccc2)cc1C	20007894	KRQWWGVZQIOYMC-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CC2CCCCC2)c(C)c1	21787914	LFWVSXSRDWNTBP-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CCCCCNc1ccc([C@H](C)CC)cc1	35023394	LSMKPZNFOQNHRC-CYBMUJFWSA-N	219.372	4.802	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCC(C)(C)C)C1	71083864	BPLCJPHWFNSGPN-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCC)C(C)(C)C	71085303	NYPNRXNDHXOARP-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)Nc1ccccc1SCC	71104722	VBRUKXPIZAAKFF-GFCCVEGCSA-N	237.412	4.789	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(c2ccc(C(C)C)cc2)C1	71127576	SVXPXQOPIINXGQ-YOEHRIQHSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CCC(C)(C)CC2)C1	79675607	ZMNBGDFFVMQFHI-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CC)c1ccc(C)c2ccccc12	79905008	RVEHUNIDAWBPNC-KRWDZBQOSA-N	241.378	4.599	0	10	BJAE	
CCC[C@H](C)COc1ccc(C(C)C)cc1	85151444	WCQCDJWNDGDLSZ-ZDUSSCGKSA-N	220.356	4.625	0	10	BJAE	
CC1CCC(Oc2cccc3ccccc23)CC1	85152068	DDWGBPRAKWNGGS-UHFFFAOYSA-N	240.346	4.797	0	10	BJAE	
CCCCCCSc1ccc(N)c(Cl)c1	85937993	FFRFAGRDOLTTBQ-UHFFFAOYSA-N	243.803	4.595	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCCC1(C)C	86855609	LSRDJDYGGRRWLJ-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@@H](NCC)c1cscc1C	87288756	NJBPPMYYZTVSPU-CQSZACIVSA-N	239.428	4.678	0	10	BJAE	
CCC[C@]1(C2CCC(C)CC2)CCCCCN1	91874620	MDTOCJABQLUYFK-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@H]1C[C@H](C)Nc2ccccc21	94677436	KODGYKZKHRVZQQ-GXTWGEPZSA-N	231.383	4.801	0	10	BJAE	
CCCCCC[C@@H](NCC)c1cccc(C)c1	109725724	XBKZJJTXNABQIX-MRXNPFEDSA-N	233.399	4.616	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](O)c1ccccc1	109994268	BEJSMEPNYRNEPI-GOEBONIOSA-N	234.383	4.717	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@@H](C)CNC(C)C	133063359	ZUUSXQFKVLTNGM-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(Cl)cc([C@@H](N)C2=CCCCCC2)c1	157548461	ZMIYBMYXUUCRTE-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CCCN[C@H](C1CCCCCCC1)C(C)(C)C	159108044	LCWDBRUOJCUULV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCC(=O)C1CCC(C(C)C)CC1	165712405	BCOQPXOUAIOJPZ-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C)CC(=O)C[C@H](C)CC(C)(C)C	168027233	FXDCIOKVXFYEDE-STQMWFEESA-N	226.404	4.844	0	10	BJAE	
CC1(C)CCC([C@@H]2CNc3c(F)cccc32)CC1	232830432	DKCZSWHGBAYGGJ-ZDUSSCGKSA-N	247.357	4.551	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@@H]1CC1CCCCC1	235350006	JPOLWDPCOJYYDG-CXAGYDPISA-N	243.394	4.630	0	10	BJAE	
CCCCc1ccc([C@H](CC)C[C@H]2O[C@@H]2C)cc1	250008388	JXBQXEZWHHGVCF-FRFSOERESA-N	246.394	4.700	0	10	BJAE	
CCCCCCN[C@@H]1C[C@H](C)CC[C@H]1C(C)C	250837577	VWGCDZLYXPUMPG-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H]1CCc2ccccc2N1	251838074	QMZAXAYJYQJNEA-FRFSOERESA-N	243.394	4.630	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CCCC[C@H]1C(C)(C)C	252388241	DACHQBPENIDFSJ-BYNSBNAKSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CC[C@@H](CN)[C@@H](CCCC(C)(C)C)C1	302247398	AXXMYIUTUGGVKY-ILXRZTDVSA-N	239.447	4.604	0	10	BJAE	
CCc1cccc2ccn(C(CC)CC)c12	303685092	RSPNBGYIJOYKIB-UHFFFAOYSA-N	215.340	4.565	0	10	BJAE	
CCc1cccc(CC)c1NCCC1CCCC1	305896997	NOUJAEOPVSOPHW-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)c1ccccc1C	305941796	RKWMYCVDSIGQNK-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC(C)(C)C2=CCCC2)C1	308754317	HOLKICDMJGOKNB-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@@H](C)CC(C)C	309995379	SHWNDBGPMSNVCC-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@H](C)CC(C)C)C1(C)CCCCC1	310183375	UXTKHJHUOIBPQY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C(C(C)C)C(C)C	310188724	XFLDHKANXNUHPB-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)[C@H](C)Oc1ccccc1C(C)(C)C	319525263	AHFZXRVJAHVPOC-STQMWFEESA-N	234.383	4.798	0	10	BJAE	
CCCN[C@H]([C@@H](C)C(C)C)C(C)(C)C(C)(C)C	319802913	JNKSZXMEUQMJJU-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)C(C)(C)CC	383665631	KOPZMHCFASTVDO-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(CCN[C@H](C)CC(C)(C)C)CC1	385122257	KGZVXDNTZYHKEM-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)[C@@H]1CC1(C)C	385173023	MLRDYYFXNHCRMQ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1cccc2ccsc12	386287709	GZOXWZGBWUJHCG-FZMZJTMJSA-N	247.407	4.727	0	10	BJAE	
CCCC1(CN[C@H]2CCCC23CCCC3)CCC1	391773766	HURNTLFDSXSQKI-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CSc1c(F)sc2ccc(C(F)F)cc12	396257260	WGWUHDOBTOITOL-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1cc2cc(C)sc2cc1C(F)(F)F	396307608	RDBBDGVEEUUSMB-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@H](C)C(C)(C)C	399152101	GLDLEROEEYTHPB-BBRMVZONSA-N	247.426	4.753	0	10	BJAE	
C[C@@H](Nc1ccc2c(c1)CCCC2)C1CCCC1	404650451	QGUKCLGRQPZBLD-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
CC[C@@](O)(CCC(C)(C)C1CC1)C1CCCC1	406020049	CKLNANJUIAMOAS-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CNc2cccc(Cl)c2)CCC1	687528888	JAJNBMWRCHFCEV-UHFFFAOYSA-N	237.774	4.722	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H](C)c1ccc(C)o1	691139095	OMDOVIYXNSDXRR-RRFJBIMHSA-N	249.398	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1Nc1ccc2[nH]ccc2c1	691139509	OQSJWSJYXYMCHM-IUODEOHRSA-N	242.366	4.549	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCCC[C@@H]1C1CC1	696105937	RZEPDICUMTVXOU-CZUORRHYSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC(C)(C)CC)C1	696752147	XCASFEGFBCHYBQ-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)c1ccc(F)cc1	697772025	PHLXKKPVSRJBLB-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CCCN[C@H](c1c(C)cccc1C)C(C)(C)CC	701144965	VAYIHHBNEQVJKT-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCc1ccccc1OCc1csc(C)c1	703870422	USBDTXQRKZXWGG-UHFFFAOYSA-N	246.375	4.588	0	10	BJAE	
Cc1cc(Cl)ccc1NCCCCC(C)C	703987936	WCXFOAFDNBBDQA-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCCCC[C@@H]1C	704941960	OAKDGFOUNOFUAA-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CN[C@@H](CC1CCCCC1)[C@H](C)CC(C)(C)C	708297160	PFGFACZCVJYLRQ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H](C)CC(C)C	708316525	BMQAMUFEJTXDQC-QLFBSQMISA-N	227.436	4.602	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H](C)CC(C)(C)C	709213767	RTHCOVSWDMCAKG-QWHCGFSZSA-N	226.404	4.844	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@@H](C)C(C)(C)C	710757359	ICFAGZCKLIHGNV-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C)c([C@](C)(O)C[C@H](C)C(C)(C)C)c1	710795239	ARJDLZVLSPTYNX-WMLDXEAASA-N	248.410	4.583	0	10	BJAE	
CCCCCC(=O)C[C@H](CC)C(C)(C)C	711163331	RKOWVCRRASXDGI-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@@H](CC)C(C)(C)C	711174653	CPNZCCRDICNOQU-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@H]21	712359744	ILJKRAIJHBARLM-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
C=C/C=C/CC[C@H](CC(C)(C)C1CC1)NCCC	713698204	WSDRWHXSMMPJHX-KXPUMZMLSA-N	249.442	4.703	0	10	BJAE	
C1CCC(CCN[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1	714323715	VRHNJRXXNGFXKE-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@H]1CC(C)(C)CC[C@H]1C	717436201	AVQUXBGGASRMOK-MCIONIFRSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCCC1=CCCC1	720954704	LLQQTUCESGQNJE-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
c1cc(Oc2nccs2)cc(C2CCCC2)c1	1163618278	PQRDSBIVWNEHLF-UHFFFAOYSA-N	245.347	4.593	0	10	BJAE	
C[C@H]1c2ccccc2CN1CC1CCCCCC1	1196497926	JCVBGHUXTYDBJH-AWEZNQCLSA-N	243.394	4.534	0	10	BJAE	
C[C@@H](CN1[C@H]2CC[C@H]1c1ccccc12)C(C)(C)C	1654333305	JTUNUEGBUMDDBM-RCBQFDQVSA-N	243.394	4.560	0	10	BJAE	
CN(C1CC(C)(C)CC(C)(C)C1)[C@H]1C=CCCC1	1659361401	VESKVNRZQQQIJH-AWEZNQCLSA-N	249.442	4.632	0	10	BJAE	
CC(C)[C@H](C)Nc1cc(C2CC2)ccc1Cl	1900709115	HFGODDOIBDIAPM-JTQLQIEISA-N	237.774	4.674	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCCC1(C)C	1900714109	UBUBWRHGYDMIHX-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@](C)(N)CC=C(C)CCCC(C)C	1900855027	MVMJWAHEQZMITR-OAHLLOKOSA-N	225.420	4.667	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H](C)C(C)C)c(Cl)c1	1901708759	KOYQSCXGANEWKI-NWDGAFQWSA-N	239.790	4.741	0	10	BJAE	
CC1(C)CC[C@H](CCCC(=O)C(C)(C)C)C1	1902294432	AYWADBPCYRIENP-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCc1cscc1N[C@@H]1CCC[C@@H](CC)C1	1902380606	DQSMLKXZIHBKRZ-DGCLKSJQSA-N	237.412	4.691	0	10	BJAE	
CC[C@H](C)Oc1ccc2ccccc2c1Cl	1905220249	UVIGVZXKNZPXQE-JTQLQIEISA-N	234.726	4.671	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCC(C)(C)C1	1905386843	GFXYLXKWVRKGGV-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@](C)(O)C1(C)CCCCC1	1905605192	MMYVZWBSCKCURZ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@@H]1CCCC(C)(C)C1	1908545532	SYQJZNNAFPAULF-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)C1CCCCCCC1	1908551647	HIVPOJIIQFHBEH-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C1CCCCCC1	1911829144	ICXCCSKBKOFVFV-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@@H](C)CCCCC=Cc1ccccc1	1911863591	SEARBBDERMDEOQ-INIZCTEOSA-N	245.410	4.648	0	10	BJAE	
CC(C)CCCCC[C@H]1[C@@H](O)C[C@H](C)C[C@H]1C	1916002496	UARYDCSWTIESRS-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
Cc1cccc(N[C@H]2CCC3(CCCC3)C2)c1	1916402128	MCUDDOGSOYVMON-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
CC1(C)CC[C@@H](CN[C@@H]2CCC3(CCCC3)C2)C1	1916423623	LTIVJVRHSIGWTI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@](C)(O)CCC(C)=C(C)C	1919968756	DAZKEXAZPRRIFR-OAHLLOKOSA-N	226.404	4.844	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CCCc1ccccc1	1919969397	IXMBUBQCFNHESK-NVXWUHKLSA-N	248.410	4.587	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CCC(C)(C)CC	1920197479	OGBKDULPGQYKOK-UKRRQHHQSA-N	227.436	4.747	0	10	BJAE	
CCCC1CC([C@@H](N)c2cccc(C(C)C)c2)C1	1921265867	GAJUOCLLSOEWAY-IMRCBTMISA-N	245.410	4.636	0	10	BJAE	
CCC1(C[C@@H]2[C@@H](CN)CCCC23CCC3)CCC1	1924839031	QNVFKZBNJRYSGR-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CCCC[C@@H](CC)CC1CCC(C)(N)CC1	1935901443	UPCVQJGVSIAJFP-WLYUNCDWSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC(=O)c1cccc2sccc12	1938287545	KATBTTPSGZFPDO-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CCCC[C@H](C[C@H](C)CCC(C)C)NCC	1939123318	VHDUZOXVQAPYSL-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC1(CCC(=O)c2csc3ccccc23)CC1	1940795438	GNVDMFHOQFZFKY-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@H]2CC2(C)C)C1	1940852364	DWGXICOXMVIJBE-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC[C@]1(CCC[C@H]2CC2(C)C)CCCCCN1	1940884812	VDWFIDSPSCPXSO-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CCCC12CCCC2	1941349224	CMSUEEWDRXNLSJ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)C1(NCC2(C)CCCCCC2)CCC1	1945292927	IGBJFLJTJWVRHG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC1CC(Nc2ccc(C3CCC3)cc2)C1	1946972861	SDNFMXIROKVBTN-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)[C@H]1CCC[C@H](CC)C1	1947469130	PVVLDGUTHXNOES-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)n1C1C[C@@H]2CCCCC[C@H]2C1	1947880324	WRIAGCYWAMSYJR-GJZGRUSLSA-N	231.383	4.636	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCCCC12CCC2	1947903225	FJFGKTCHSBHAGP-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@](N)(CC)[C@@H]1CCC2(CCCC2)C1	1949429973	VYVQBBFTVKKAIE-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC[C@@](N)(CC1CC1)CC1CCC(C)(C)CC1	1950111582	PRRXAVVDFJMJLJ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)C1(CC)CCC1	1951235845	ZVDAYELZNOPRCM-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC=CC[C@H](CCC)c1cccs1	1957377772	IKALKZHVPBMDLF-LBPRGKRZSA-N	208.370	4.988	0	10	BJAE	
C1=C[C@@H](C[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	1960870898	AOYVWHVXKOTLMM-KBXIAJHMSA-N	204.357	4.559	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2C=CCCC2)c(C)c1	1962723763	VMTDQRNELSFAJP-HNNXBMFYSA-N	242.362	4.541	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@H]1C1CCCC1)C1CCCC1	1967828347	RHOMREZOTKFODS-ULQDDVLXSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)CN(CCC(C)C)CCC(C)C	1968283175	WFHHGYNINPZPME-INIZCTEOSA-N	241.463	4.817	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CC[C@@H]1CC(C)C	1971389336	LJKPTXJALBWZTH-PMPSAXMXSA-N	239.447	4.760	0	10	BJAE	
CCc1cc(NC2CC(CC)(CC)C2)ccc1F	1971991174	MKZWOZLCYHYZPZ-UHFFFAOYSA-N	249.373	4.769	0	10	BJAE	
CC[C@H](CC1CC1)NC[C@@H]1CCCCC12CCC2	1973673698	QXTRSMNRWIYARN-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](n2c(C)ccc2C)CC1	1976403534	VUMALARHXRIDGW-GJZGRUSLSA-N	219.372	4.636	0	10	BJAE	
CCCC[C@@](C)(CNCCC)CC(C)(C)C	1978647958	NIMPXQNDJCSWGO-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCC(CC)CC1(N)CCCCCCCC1	1980336055	GVLKCFOCUCMNNT-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CC(C)CCCC[C@@H](O)c1ccc(Cl)cc1	1980679524	BBJXRMZOYXKZDM-CQSZACIVSA-N	240.774	4.590	0	10	BJAE	
CCCC[C@@H](C)NC1CCC(C)(CC)CC1	1981063379	OMIQAVWXTWDLBE-WLYUNCDWSA-N	225.420	4.514	0	10	BJAE	
C/C=C/CCCC(=O)C1CCC(CC)CC1	1984590594	DPAGASMDBNZDJN-HWKANZROSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CCC(C)C)NC	1995258427	DNRDSNKWFWEOOR-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCC1CCC1	1995262892	PQKJAKCMPWNZGL-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCc1coc2ccc(C(C)(C)CC)cc12	1995453648	RLVPRZQANNZDCP-UHFFFAOYSA-N	216.324	4.683	0	10	BJAE	
CCC=CCN[C@@H](CC)C1CCC(C)(C)CC1	1996595264	ULCWUCKMLGSTBV-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN[C@H]1CCCC2(CCC2)C1	1997040938	XSFZVBNGPXABBZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@@H]1CC=CCC1	2000318216	ZSZNOJWGQKHXPY-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@@H]1CCCC(C)(C)C1	2002972238	QNIDNGCQCCIASQ-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCCC(C)(C)C1	2002993539	LLTCLEBQJCZXFQ-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CN[C@@H]1CCCCCC[C@@H]1CCC1CCCC1	2003097537	GSMNJTZLJUATRS-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](N(C)C2CCCCCCCC2)C1	2003166744	JECKDPGQEKKBHR-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CC(C)=C(C)CCC[C@H](N)c1ccccc1C	2003648349	WWTKNDWXQJGOFV-INIZCTEOSA-N	231.383	4.521	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1(C(C)C)CCC1	2004225825	KSIVXCJPCZJLQZ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)C1(C)CCCCCCC1	2004922816	KVHGVRWLHIISMF-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CCCCC12CC2	2005545672	MOKJKDOCPJBDKO-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CC(C)CCC[C@H](O)[C@H]1CCCCC12CCC2	2005600851	OTBYDIWAZPGGRL-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@H](N)C1(C)CCCCCCC1	2006765754	UPJIXDNKAFVLLR-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)C1(C)CCC(C)CC1	2007697307	OTZRTNFXELXVDC-FYRZTWFESA-N	240.431	4.636	0	10	BJAE	
CC=CCCC[C@]1(CNCCC)CCC[C@H]1C	2009616506	JNLLASIZMJGOQK-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
Cc1csc(C(=O)CC2CC(=C3CCC3)C2)c1	2011074800	OUKKPGHNNDTONS-UHFFFAOYSA-N	246.375	4.520	0	10	BJAE	
CC(C)c1ccc(-c2cscc2[C@H](C)N)cc1	2013599979	IOSNTAPXKBNCPY-NSHDSACASA-N	245.391	4.558	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@H]1CCC1(C)C	2014846493	OAFSPFLUDJXHDS-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)C1(C)CCC(C)(C)CC1	2015280334	FAOUCWOZRMFGQE-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)CCC(C(C)C)C(C)C	2015337046	VKDJXQOMJBHUID-ZBFHGGJFSA-N	242.447	4.738	0	10	BJAE	
CCCC[C@@](CC)(CNCC)C[C@@H](C)C(C)C	2015400851	REWDOLZPFOAQKO-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@@H](CC)NCC1(CC2CC2)CCC1	2015743045	JCUKFFOSQFLIEU-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@H]2C2CCC2)c(Cl)c1	2017042532	JFYOFIXCNXFGSM-JSGCOSHPSA-N	249.785	4.639	0	10	BJAE	
CC(C)C1(CC[C@H](N)CC2CCCC2)CCC1	2017141561	PSEWPWHCHCNEGF-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)C[C@@H](C)CCC	2017238924	RFJCVOASSGERFM-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)(C)C)C(C)=C(C)C	2017485981	IDCUCQLRDRXXKY-ZFWWWQNUSA-N	239.447	4.783	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@@H](C)CC(C)C)CC1	2017654475	DVRNAMLWZUPNHY-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC[C@H]1CC[C@H](CC)CC1)NC	2017720131	FREVXXPTWAGURT-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2CC[C@H](C)CC2)C1	2017773971	IISZFJLKCHTNBG-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)NC1[C@H]2CCCCC[C@H]12	2018131110	MJZLYOVAEXYLNW-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H]1CCCC(C)(C)C1	2018135232	WRZQKYVIVKPHLQ-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@@H](CC)NC1CC(CCCC)C1	2018136057	HBRXFZVAKUBRCF-HWOWSKLDSA-N	239.447	4.904	0	10	BJAE	
CCCC1(C[C@@]2(C(C)C)CCCCCN2)CC1	2018989867	CERQKGQWTNJPHL-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)N(CC)Cc1csc2ccccc12	2019277145	HEFHUSYIKJGYIH-LBPRGKRZSA-N	247.407	4.522	0	10	BJAE	
CC1(C)CCC[C@@H](CCC2CCCCC2)[C@@H]1N	2020358077	CUKFNFQQZRSUAL-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CNCCCCC(C)(F)F	2023299213	IURBUKDMAVNUIK-CYBMUJFWSA-N	249.389	4.618	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C)[C@@H]1CCC(C)(C)C	2024511299	SXHSPMRQZVKHLG-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CC[C@@H](C(C)C)C1	2025575633	YKOIAERAUIBWJL-XHSDSOJGSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CC1=CCCC1)NC	2026166607	LBDALOGBGZHYSI-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)Cc1csc(-c2ccccc2C)n1	2026530994	ISFYSFIHRCKGQH-LLVKDONJSA-N	245.391	4.707	0	10	BJAE	
CCC1(C(=O)c2cccc(C3CC3)c2)CCCC1	2028552385	OUWLQFKACGUWIU-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]21	2028785039	ADLVANCKKJFZOA-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@]1(CC2CCC=CCC2)CCCCCN1	2028899282	XYYCYLZSSMNMKW-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C1(C)CC(C)(C)C1	2029107093	XBGNOLRWBRJZOP-HNNXBMFYSA-N	249.442	4.703	0	10	BJAE	
CC1(C)CCC[C@@H]1NC[C@@]12CCCC[C@@H]1CCC2	2031808368	KXLPOMHSYDTDNR-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@]1(CNC2CC2)CC12CCC2	2032138455	KLEXQQGNYSSKQE-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1CCC[C@@H]1C	2032477456	BYNZVNONUWUBCB-BBRMVZONSA-N	246.394	4.933	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC[C@@H]2C)CCC=CCCC1	2032504774	DASKJMGZJNRPPU-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CCCC[C@@H]1NC1(C2CCCCC2)CCC1	2033056858	KLXSOIPRKXDMHV-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCc1cccc(NCC(C)(C)C2CCCC2)c1	2034021211	ZJZWTXXTYLPNML-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc2[nH]ccc2c1	2035424919	RGYWDZRDTMQZOF-WBMJQRKESA-N	242.366	4.549	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2037159052	IKVAZSBRINYKAU-JKQORVJESA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@@H]([C@@]2(N)CCCC23CCCCC3)C1	2037584447	ONEQXIBNADLICL-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC1CC2(CCC2)C1)CC1(C)CCCC1	2037975035	SHBGKAYNCYPISH-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CNC[C@@H]2CC23CCCCC3)CCC1	2039092279	OQGVFZBTDZIGNO-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CC2CC3(CC3)C2)CC1	2039386437	RCBDPPIQRFKRSY-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@@H]1CCC=CCCC1	2045307862	OWOARUNLXHFWNR-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
O=C(CC[C@@H]1CCC=CCCC1)c1ccccc1	2045311782	VPFVRZFBSCAFPO-OAHLLOKOSA-N	242.362	4.786	0	10	BJAE	
CC[C@@H]1CNCCC12CCC1(CCCCC1)CC2	2045663699	PLDZLBPRORYQPO-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@](C)(CNC)C[C@H](C)c1ccccc1	2045987730	OMHOMHWXCIHETC-RDJZCZTQSA-N	247.426	4.596	0	10	BJAE	
N[C@@H]1[C@@H]2CCCCCCC[C@@H]2C12CCCCCC2	2049671020	ACUNQMFVJXNWNT-OWCLPIDISA-N	249.442	4.645	0	10	BJAE	
C1=CCCC(CNC2CCCCCCCC2)CC1	2049674774	HHAKKVZGWDQMOJ-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCC[C@H](Oc2cccc3c2CCC3)C1	2050413254	HWVUKNGQDIVCIF-ZFWWWQNUSA-N	244.378	4.523	0	10	BJAE	
Cc1cccc(C(=O)CC[C@H]2CC23CCCC3)c1	2050460628	KYXADWMALIINFH-HNNXBMFYSA-N	242.362	4.538	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@H]2CCCC[C@@H]21)C1(C)CCC1	2052349732	SZBVHDFTTCPCJU-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@@H](C)c2ccccc2)C1	2055123241	HZDRJFMYSFNHLU-QLFBSQMISA-N	244.378	4.576	0	10	BJAE	
CN[C@@H](CCC1CCC1)C1(C)CCC2(CC2)CC1	2056556875	NLKZMQZYIFRAEK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC=C(C)[C@H](C[C@H](C)c1ccccc1)NCCC	2056776449	MAVSUAYBVYCXMK-RDJZCZTQSA-N	245.410	4.515	0	10	BJAE	
CCC[C@@H]1NCCC12CC1(CCC(C)(C)CC1)C2	2058474690	DPFQGNPDGLTVSB-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1cc(C)cc(C)c1	2059260419	XZWRSJFRPPHOHU-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CC(C)[C@]1(C2=CC[C@@H](C(C)(C)C)CC2)CCCN1	2061096669	WOOQSIIAMVZTBT-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1C1=CC[C@H](C(C)C)CC1	2061150291	KCXSWXUEFIWMIW-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@@H]1CCCCC[C@@H]1CNCC(C)C	2061562352	CGELMMKAPLJCSI-IAGOWNOFSA-N	249.442	4.550	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)[C@]1(C)CC=CCC1	2062640377	CHCAOCZHIWTOIK-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNc1ccc(C2(C)CC2)cc1	2062641487	JOUWETGHERBEHL-KGLIPLIRSA-N	243.394	4.586	0	10	BJAE	
CC1(CC(=O)CC2C[C@H]3CCC[C@@H]3C2)CCCC1	2063419737	TZFOCIRXUJQLEL-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CC23CCC3)CC1	2069167392	HVZMWVLPUCDPBR-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1CCC(N)(C[C@@H]2CC23CCC3)CC1	2069174692	KLINZTAHEYGOPR-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
NC1(C[C@H]2CC23CCC3)CCCCCCCCC1	2069191243	XAFGVYZVJFGCLQ-OAHLLOKOSA-N	249.442	4.789	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2C(C)=CCC[C@@H]2C)CCC1	2069289675	MIOFZRGHXGIZAI-HRCADAONSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC2(CC3CCC3)CC2)C1	2069579793	DDDMSUHCQGACDD-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1C[C@@H]2CCC[C@H]2C1	2070310366	SKJJEAPPRVYPMO-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2CC[C@H]3C[C@@H]32)CC1	2071048612	CVDVPTHSUFYUDK-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCC1(C(C)(C)C)CCC1)c1ccccc1	2071936710	QUZLHQSZXIQVLK-CQSZACIVSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](CC1(C(C)C)CCC1)C1CC=CC1	2071943559	OGUCOSGYLUCIGI-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CNc2cccc(C3CC3)c2)CC1	2072796726	RGNJRULHBPEQFY-HDJSIYSDSA-N	243.394	4.802	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@]23CCCC[C@H]2C3)CC1	2072797187	WYAWNDBNQYGWBW-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@H]2CC[C@H](C)CC2)C1	2072872801	GVZXMLGFFBAPCY-SDADXPQNSA-N	248.410	4.764	0	10	BJAE	
CC(C)c1ccc(NC[C@]23CCCC[C@@H]2C3)cc1	2074047006	NRWCRXSJCXQASL-NVXWUHKLSA-N	243.394	4.802	0	10	BJAE	
CCN[C@@H](CC1CC2(CCC2)C1)CC1(CC)CC1	2074634718	UOFPXDDCPGWXJM-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N(C)[C@@H]1C=CCCCCC1	2074809189	IYPCNPBRYMPMQM-ZACQAIPSSA-N	249.442	4.776	0	10	BJAE	
CC(C)(C)C1CCC(N2C3CCC2(C)CC3)CC1	2075228271	BSLVOPUBYIKSBA-UHFFFAOYSA-N	249.442	4.608	0	10	BJAE	
CCCCCCN(C)Cc1c(C)cc(C)cc1C	2075947090	CXIGHXNEMRXIEK-UHFFFAOYSA-N	247.426	4.624	0	10	BJAE	
CCCCCC[C@@H](C)Oc1cccc(C)c1C=O	2075976505	IQVCNXUOOUQYPB-CQSZACIVSA-N	248.366	4.545	0	10	BJAE	
C1CCCC(NC[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079444881	VYJUNOXZSGCZJJ-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H]1C1CCCCCC1	2079529799	OIELQVCRQCJINF-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CC1(NC[C@@H]2C[C@H]2C2CCCCC2)CCCCC1	2079639298	HWGDCAGGICTNET-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCCC12CCC2	2079863202	JQAITJTWQKONJA-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1	2081140171	HUPDZISWWMVDCL-QUSNUVHPSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@@](CC=C2CCC2)(CNC(C)(C)C)C1	2081681901	ITJHHHRJTMJMJU-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@](N)(CC23CCC(CC2)CC3)C1(C)C	2084337519	BQWLOYYFSDMFPE-QWFMPGPPSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCC[C@H]1C2)C1CCCCCC1	2086155341	CAWIVPWURYPMET-NXNVCVFFSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCN(C)CCCCCC1CC1	2213530995	JOUZFBJPSCYYGC-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)CCCCCCC1CC1	2213579592	UFSDJYSYABRJGK-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)[C@H](CC[C@H]1C[C@H]1C)NCC	2215243976	GPYBGVZZUJQKBZ-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@H]1CCCCCCCCC1=O	2215344962	GPWVIOUPFRIHTK-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CCC1([C@H](N)CC2(C)CC(C)(C)C2)CCCC1	2215385484	IXPLBDBHSFWEFT-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@H](O)CC1(C)CC(C)(C)C1)C(C)(C)C	2215394893	UUOFFUWLJLOMAZ-OLZOCXBDSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@]1(N)CCC[C@H](C(C)(C)C)C1	2216251270	DPJUYPXURGGMNZ-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC1(C)[C@H](N)C[C@H]1CCCCCCCC1CC1	2216891862	IHFVFWKWZWOYFW-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](CNC1CCC1)C(C)(C)C	2217155767	FNCIUZQQIMGQDP-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
NCC1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCCC1	2218362022	SMAMRZJNXXPQAO-ZSHCYNCHSA-N	249.442	4.502	0	10	BJAE	
CC(C)[C@H]1CC=C(C[C@H](N)C2CCCCC2)CC1	2220296058	GNJGREXTVVJROY-RDJZCZTQSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)C2(C)CC3(CCC3)C2)C1	2221004461	FYEUAIHWMKVFHD-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@H](NC)[C@@]2(C)CC=C(C)CC2)CCC1	2221621459	DQJZJJWEXXYHSS-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1occc1[C@@H](N)CCCCCCCC1CC1	2223138164	MXYSOKDZWVPXJT-INIZCTEOSA-N	249.398	4.729	0	10	BJAE	
Cc1cc(NCC[C@H]2CCC[C@@H](C)C2)cs1	2242777671	QQTVHZSLLVEADM-DGCLKSJQSA-N	237.412	4.685	0	10	BJAE	
CCCC[C@H](N)CCCCCC[C@H]1C[C@@H]1C	2243886999	ZTQOWEGVQCLSPG-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cc(Cl)ccc1C	2244786794	XBLJMRBIPOECCH-RISCZKNCSA-N	240.774	4.508	0	10	BJAE	
Cc1ccc(-c2cc3sccc3s2)c(O)c1	2246026200	GGWZQJDXNPXABM-UHFFFAOYSA-N	246.356	4.644	0	10	BJAE	
CC(C)(C)NCCCC[C@H]1CCCCC12CC2	2246627201	PJKXXCOWWDSWEW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC[C@@H]1CCC[C@@H](C)C1)CNC	2246665055	JQVDALPFXKMUKB-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CCCC[C@@H]1C[C@H]1C	2247176078	NAAVAIJXVZURIZ-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H](C)C(C)(C)C)NCC	2250359012	PTCQDBNUHOMRGY-ILXRZTDVSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1CC2(CCCC2)C1	2250362340	UIIDCANVIWJLHJ-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)C[C@H]1C[C@@H]1C	2250466712	IFSRYULAWHCFNI-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(O)CCC[C@@H]1C	2250496028	NZHOBTZQYXFFNX-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@]12CCCC[C@H]1CC2	2251153618	KWMNYYQAEMBWTM-XJKSGUPXSA-N	236.399	4.598	0	10	BJAE	
Clc1ccc2nc(CC3=CCCC3)ccc2c1	2252700215	JNTFGYJMDBXHNX-UHFFFAOYSA-N	243.737	4.541	0	10	BJAE	
CCC1=CCC[C@@]1(O)CC[C@@H]1CCCCC12CC2	2253878339	NBVUMNLNRGZJFC-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)CCCCC23CC3)C1	2253921296	WGFSVZXFNJFUBV-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2(CN)CC3(CCC3)C2)C1	2253938002	KKKFLRKFRKGEEF-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCC3(CCC3)NC2)C1	2253969046	FWGLVEJBTQFYGD-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@](C)(CCC2CC3(CCCC3)C2)CN1	2254081541	CNDTXIFWBPOJKE-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC[C@@H]1C[C@@H]1C)[C@@]1(C)CC=CCC1	2254587770	QXMHYVCCUDMJNJ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C1(C)CC=CC1	2255143383	YEEIWYIAELWYHP-MRXNPFEDSA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C1C[C@H]2CC[C@@H]2C1	2257249610	WTIFNYFQLFMIMV-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CCCCC[C@H]2C[C@H]2C)C1	2257306832	JNZWGBSBMDRKEN-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(F)c(NCCCCC[C@@H]2C[C@H]2C)c1	2257320419	IRCQHASEBQRTLP-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)c1cccc2ccoc12	2259442268	HLHHPVLQNZIWBS-IUODEOHRSA-N	245.366	4.520	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(OCC)cc1C	2259465428	VXHXIMMLFAJELN-CQSZACIVSA-N	249.398	4.632	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@]1(C)C=CCCC1)C2	2259567960	WQWWPVOFXLANRA-DZTUWMGKSA-N	246.394	4.518	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCCCNCC2)CC1	2259664832	UYPGVYRMIYOQLX-JCNLHEQBSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@]12CCCC[C@@H]1CC2	2260570562	PYRJJPPCHWXHGL-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@]23CCCC[C@@H]2CC3)[C@@H](C)C1	2260657539	JJVKKTOQEVXKKF-DEQQHWRFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@@]23CCC[C@H]2CC3)C1	2260669192	HIZHDTKVZQAKMU-UAGQMJEPSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1C[C@]1(C)CNc1cccc(C2CCCC2)c1	2260715593	HZZDTNUSDKWYFM-SUMWQHHRSA-N	243.394	4.802	0	10	BJAE	
CN[C@@H](C1=CCCCC1)C1CC(CC(C)(C)C)C1	2261199347	XDHHMRXGHWUTQN-BCLQGDPASA-N	249.442	4.537	0	10	BJAE	
CC[C@@](C)(C(=O)CCCCCC(C)C)C(F)F	2299833585	JLUARYVGMDHNTB-AWEZNQCLSA-N	248.357	4.843	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCCCC1(C)C	2300684365	TUIPMDAUOODUPB-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CCC1(CNC)CCCCCC1	2300686108	MRTZDECEIFFOHV-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC=CCC1(N)CCC2(CCCCCC2)CC1	2300897043	OSQJOTQWONWPCE-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CN[C@@H](CC=C(C)CCCC(C)C)CC1CC1	2300936541	GDJUWPCYYOBUFX-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CSc1ccc(C=O)c(C2CC2)c1	2301284273	ZWVYERPRZIKGLZ-UHFFFAOYSA-N	248.391	4.515	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CC(=O)CCC1=CCCCC1	2301925837	IWISHZCXCFHQQI-GOEBONIOSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CC(C)(C)CCC2=O)C1	2302878900	UVUYRLXHLNURHQ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1N[C@H](C)c1cccc(F)c1	2302892703	OMQMXEBURPOLLG-SNVBAGLBSA-N	249.354	4.623	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](O)CC2(C)CCCC2)C1	2302897888	BKCFLDRKPMGFIV-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@H](CC(N)(C(C)C)C(C)C)CC1	2303518984	CKUPZHCVMHQLKA-OAHLLOKOSA-N	237.431	4.523	0	10	BJAE	
C[C@@H](C(=O)CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304431841	OWDQTKKZUJTFIB-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)CC[C@H]1CCC(C)(C)C1	2304435107	HDZRSASIUDVZNW-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)[C@H]1C[C@@H]1CC	2307893767	JMBOFAXSZNKXGB-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@@H]1C[C@H]1CCC	2311517694	WAUMSZVLSCOAQW-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCCC1	2313165890	ZGPPKGASGHJSBP-CLWVCHIJSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@@]12CCC[C@@H]1CC2	2313290978	NTHLPYFFKSHUAF-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)[C@@H](C)CC1CC1	2313669221	QVLSHVCVVBOLRX-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C/C=C/c1ccccc1	2315951269	DKDINCOCXIFAFI-FWVUHSSSSA-N	245.410	4.634	0	10	BJAE	
O=C(CC1CCCCCC1)C1(CC2CC2)CCC1	2316871341	ZYBSGUSQFJNFJJ-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)c1cccc(C2CC2)c1	2317825774	ZYEHGXFYNNDQLH-CHWSQXEVSA-N	244.378	4.675	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)CCCc1ccccc1	2317914010	YHNWJOHLAGCSFI-HUUCEWRRSA-N	246.394	4.507	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cc(C)c(O)c(C)c1	2318428813	RBPHMKPUIIWIOK-FZMZJTMJSA-N	249.398	4.636	0	10	BJAE	
C[C@H](CCC1CC1)N(C)CCCC1=CCCCC1	2318595595	RFDIUKNPKOZQRR-OAHLLOKOSA-N	249.442	4.778	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CC1CC(C2CCC2)C1	2318944963	UYTYAFIAJZBNRT-UPNFEZNFSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)C[C@H](N)c1cc(F)ccc1C1CC1	2319175742	JGKFBLDNXCSOPZ-INIZCTEOSA-N	249.373	4.529	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@@H]2C[C@H]2C2CC2)CC1	2320412082	HPPDBZGICBYGJY-UNEWFSDZSA-N	246.394	4.518	0	10	BJAE	
CCC1CC(C(=O)c2cc(C)ccc2C(C)C)C1	2327786627	LOZMPTZCNSLIKG-UHFFFAOYSA-N	244.378	4.737	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC3(CC3)C2)c1F	2327802158	NGNPDUJDSOZDIO-GFCCVEGCSA-N	247.357	4.694	0	10	BJAE	
CC(C)CCCCCCCCCCCN	14593798	VFFDVELHRCMPLY-UHFFFAOYSA-N	213.409	4.502	0	10	BJAE	biogenic
CCN[C@@H](c1cc(C)ccc1C)C1CCCCC1	35546595	PINILTXUDXBTLP-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCSc1ccccc1NC1CCCCC1	37779252	RRUXRFKLAZCKPD-UHFFFAOYSA-N	235.396	4.543	0	10	BJAE	
Cc1ccccc1N[C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2	80125280	ORZZAWDYSXXOIN-JLJPHGGASA-N	243.394	4.622	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCC[C@H](CC)CC1	83435739	JRNQPBUZDIAKNF-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CCC(C)C)CC1	83520693	FUEOQRFGUSSZTL-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)[C@H](NC)c1ccc2ccccc2c1	94676483	NRQFUGMZMIJKQB-KRWDZBQOSA-N	241.378	4.537	0	10	BJAE	
CC(C)CC[C@@H]1CCCC[C@H]1CNC(C)(C)C	130255627	CEFKATBZUSEXAQ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)c2ccccc2)CC1	159806237	DTYJUUNDKXAHJX-INMHGKMJSA-N	245.410	4.696	0	10	BJAE	
C[C@H]1CCC[C@@]1(CNC(C)(C)C)C1=CCCCC1	161461055	HAYYNOPWCJTZQM-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H]2[C@H](CCCC2(C)C)C1(C)C	196119683	JTHQJIOXHUASBW-AGIUHOORSA-N	208.389	4.885	0	10	BJAE	
CC[C@H](C)c1cc(Cl)ccc1Cl	221975319	YKZMXFJAMOTCOC-ZETCQYMHSA-N	203.112	4.507	0	10	BJAE	
CC(C)CCCC(=O)[C@H]1CCCCC1(C)C	226795871	BPNLSTWTLMMJJY-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccsc1	227279535	GADBPGOMIRAUBP-BNOWGMLFSA-N	237.412	4.621	0	10	BJAE	
CCCCC1CCC([C@H](O)C[C@H](C)CC)CC1	229281067	DNNUYFFDNPLERE-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
CCc1ccccc1N[C@H]1CCC12CCCCC2	230162233	MPALUNYHRGDOSM-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	250831385	RITHOBUTXYLORR-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CN[C@H](CC[C@H]1CCC[C@H](C)C1)c1ccccc1	251543633	ASKRKQCLGCLWTE-ZMSDIMECSA-N	245.410	4.554	0	10	BJAE	
Cc1cc(C)c([C@@H]2CCC(F)(F)C2)c(C)c1	258831334	PFPJHECSKPCVDU-GFCCVEGCSA-N	224.294	4.515	0	10	BJAE	
CCC[C@H](NC[C@H]1CC[C@H](C)C1)c1ccccc1	300309801	ODEQJENBXHIQQG-ZOBUZTSGSA-N	245.410	4.554	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC[C@H]2C)c1Cl	300935587	WURPJZYIZLKUIS-ZYHUDNBSSA-N	237.774	4.639	0	10	BJAE	
CC[C@@H]1CC[C@@H](CN)[C@H](CCCC(C)(C)C)C1	302247399	AXXMYIUTUGGVKY-KFWWJZLASA-N	239.447	4.604	0	10	BJAE	
N[C@@]1(CCC2CCCCC2)CCC[C@H](C2CC2)C1	302253125	LNKAUEWYVOOXJK-DLBZAZTESA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cccc2ccsc12	302482304	YUOIKYHSTZVGRJ-SMDDNHRTSA-N	248.391	4.761	0	10	BJAE	
Cc1ccc2ccn([C@@H](C)c3ccccc3)c2c1	305668848	MTISKLACBIGAGE-AWEZNQCLSA-N	235.330	4.559	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H](CC)CC(C)C)C1	308057765	SARZBEHPSIRSKU-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@]1(C)[C@@H](CNC(C)(C)C)C1(C)C	310067650	URFCGTXSMFKFKP-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CC1CCC(C)(C)CC1	310292033	ZLARMBGWYHCJKN-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCCNC[C@@H](C)C1CCCCC1	310454657	CLYSSENMFGVOME-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC1(CN[C@@H](C)C2CCCCCC2)CCC1	310557156	YXOSRFCFFIRALO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](N)(CCCC(C)(C)C)c1ccccc1	310576802	PLZHKRIUQYTFJZ-KRWDZBQOSA-N	247.426	4.857	0	10	BJAE	
C/C(=C\[C@H](C)C1CCCCC1)C[C@@H]1CCCCN1	310758043	AGVAYBBNPWKHQE-YTLDMCMYSA-N	249.442	4.681	0	10	BJAE	
CCCc1cccc(C(=O)C(C)(C)C(C)(C)C)c1	311183329	ZLEOWNZLDQFBKZ-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CCCC1(CNC(C)(C)C)CCC(C)(C)CC1	318038977	BACQFAQESGUGNH-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C1(CN[C@@H]2CCCCC23CCCC3)CC1	380882132	CZZFPBOFFNACDB-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCc1cc2c(F)ccc(C(F)F)c2s1	396215857	OJLYIIWXEWJXAZ-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cc2ccsc2c(C(F)F)c1C	396259402	YCEHDYDINHESJM-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)[C@H]1CC1(C)C	397618769	RDZXNDFSFUEWRG-GXTWGEPZSA-N	231.383	4.657	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@H]1CC[C@H](CC)CC1	401142815	WLWHFHCRJVXZMT-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](CCC1=CCCC1)CC(F)(F)F	402455947	VLJHIPWMDOKILC-SNVBAGLBSA-N	220.278	4.856	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2CC[C@H]3C[C@H]3C2)cc1	403142947	WPSQZYAOXGVPTF-VNQPRFMTSA-N	244.378	4.625	0	10	BJAE	
C[C@@H](CNc1cccc(C2CCC2)c1)C1CCC1	690171960	SLXHDQXELFTFSY-ZDUSSCGKSA-N	243.394	4.802	0	10	BJAE	
CC(C)(C)c1cccc([C@H](N)CC2CCCC2)c1	691649934	HMUWTHGTIVGLEN-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H](C)C(C)(C)CC)C1	695107657	OMBGTSYFRJZWIO-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](NC1CCC2(CC1)CC2)[C@H]1CC1(C)C	695697111	INRSAGVKPMRKIF-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@@H]1C[C@H](C(C)(C)C)CCC1=O	697835265	KLFBVLWEYTXJTR-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
C[C@H]1CC[C@](C)(C(=O)CC2(C)CCC2)C1(C)C	699084373	JMPRMPIUMDVFFJ-BLLLJJGKSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC([C@]2(N)CCCC23CCCC3)C[C@H](C)C1	704447606	QBMLLWALNJEYRV-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCCCC12CCCC2	704471089	BMTWVTRZEXPCNQ-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
C[C@](N)(CCC1CCCC1)[C@@H]1CC2CCC1CC2	704504644	BOBNMLVWFLUVIT-BACDZXNISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C1(CNC2CC2)CCCCC1	704804881	HUTGCLNVXIZJDK-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](N)(C1CCCCCC1)C(C)(C)C	704889555	NXLCMWHACLTFHP-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)CC[C@H]2C)cc1	713012903	FJTJHLXEAMUALS-UKRRQHHQSA-N	231.383	4.622	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)CC[C@H]2C)cc1F	713068793	WHEYHJCLFIFTPR-DOMZBBRYSA-N	249.373	4.761	0	10	BJAE	
CC[C@H](NCC(C)(C)C(C)C)C1CCCCC1	713160252	SKNIRGIYNQHQID-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
c1ccc(NC[C@@H]2CCC[C@@H]3CCCC[C@H]32)cc1	714421787	BUBTUIRIYVSJSX-YQQAZPJKSA-N	243.394	4.705	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1CCC[C@H]2CCCC[C@H]21	714469166	YERSGKAMJRPZLY-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1cc(C)ccc1O	714552505	JSSFXYQISMEZGE-KTRBRXNASA-N	218.340	4.551	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCC(C)=C(C)C	718572313	LEOWEHGEIMMQNA-HNNXBMFYSA-N	225.420	4.667	0	10	BJAE	
CC[C@H](CC1CCCCC1)C(=O)CC(C)C	720938738	AGPJXGGBXFRUCU-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)C[C@H](C)CC	723562894	MUPBNOINHKMLNB-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
Clc1ccc(Nc2cc3ccccc3[nH]2)cc1	757137219	YIJNCRJZVWXAHH-UHFFFAOYSA-N	242.709	4.565	0	10	BJAE	
CCCc1ccc(CS[C@@H](C)C(C)C)cc1	1559378468	CSNHSNAAEODORL-ZDUSSCGKSA-N	236.424	4.917	0	10	BJAE	
CCC[C@H](NCC1CCC=CCC1)[C@H]1CC1(C)C	1660054901	AVATTWKEDXUMOU-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC(=CCc1coc(C)c1)CCCC(C)C	1900903956	SKRXTQXKQYQEQK-UHFFFAOYSA-N	220.356	4.903	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCC[C@@H]2C[C@@H]2C)CC1	1908573246	ZUXIDXLZYJSGFB-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C1CC(CCC)C1)[C@H](C)CCC	1921281378	UFVRHUPJGRWOAP-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@](C)(CNC(C)C)C1CCCC1	1924076701	WOQMRAKZWOTHFJ-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)[C@@H](C)C1CCCCC1	1924132231	XSVOOMFNKCPRDP-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)NCC1(C[C@@H]2C=CCCCC2)CCC1	1925756492	YTRFQNFFBZUQPA-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@H](Cc2cccc3ccncc23)CCCC1	1925831288	YRTVBFWLEOKFRJ-AWEZNQCLSA-N	237.346	4.524	0	10	BJAE	
CCC(CC)C[C@H](N)c1ccc(CC(C)C)cc1	1926390375	RZLKNOWFRINUTE-KRWDZBQOSA-N	247.426	4.711	0	10	BJAE	
C[C@H](CCCC(C)(C)C)c1ccc(N)cc1	1935994399	NSTRELJLLVIPMG-GFCCVEGCSA-N	219.372	4.589	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(O)[C@@H](C)CC(C)C	1939031694	LTPCGKFQQKKVAJ-LSDHHAIUSA-N	226.404	4.556	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC[C@H]1CC1(C)C	1940852444	FPODGGXNRJPJBR-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@H](O)CC[C@@H]2CC2(C)C)CCCCC1	1940856138	LZHPSQMSRWTFPP-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCC[C@H]2CC2(C)C)C1	1940880158	GMWDNNDXQROXPI-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CC1(C)CCCCC1	1941252008	OAFRWUZAQBCXRF-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@@H]1CCC[C@@H]1C	1944829600	DMDJALBNRDWDOB-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H]([C@@H]1CCC(C)(C)C1)C(C)(CC)CC	1945596596	GTXDPRVRJNNGCM-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]([C@@H]1CCC1(C)C)C(C)(CC)CC	1945742097	JYKUUFJEEQWZRX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@H]1CCC1(C)C	1945748222	KAGBVNQNHKDADF-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(C)(C)Nc1nc2ccccc2s1	1946974518	GMYASXMLAQLLGO-UHFFFAOYSA-N	248.395	4.533	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC1(CCC)CCC1	1947459227	AYEOLEVXGYHZRN-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCC(F)(F)CC)C1	1948001286	POLCNIKDEVQWCW-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)NCC1(C)CCCCC1	1948324773	CJTSYAGIVZMZIV-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)C1CC(C)(CC)C1	1948406733	DVLRUPPBVZDKMP-CIDNJEQPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC1(CC)CCC1	1948981508	UGVOHJZEFSIGKY-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CC(C2(N)CCCCCCCCC2)C1	1949161007	ZMLQXYYNIAYTRL-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCC1CCC(C[C@H](N)CC2CCCC2)CC1	1949862532	RCYCQXDDVUFRCJ-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@]1(CN)CCCC(C)(C)CC1	1950916948	CIFNNWUIZQFPBF-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(CC)C(=O)c1cc(C)c(Cl)s1	1960262074	FUJRVBYDSGFYSZ-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1ccc(Cl)cc1	1968265767	OZNQAUFUMROXEX-LBPRGKRZSA-N	239.790	4.967	0	10	BJAE	
CC[C@@H](C)N[C@@H]1CCCC[C@H]1C1CCCCC1	1969308951	NODQCFMNQFPRGM-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CC[C@H]2CCC[C@H]2C1	1970676868	ASCUWUKWUMVMLA-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CC[C@H]1CC(C)C	1971662948	UFSMYOBBRRZXQD-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)CC1(C)CCCC1	1980379993	HKOSZCGSMYYODO-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CCC)NC1CC(CCC)C1	1984691910	HJDAESMDMAZWRP-SHARSMKWSA-N	225.420	4.514	0	10	BJAE	
CCC[C@](N)(CC)C[C@H]1CC[C@H](CC)CC1	1989815049	VJQVBGHCRXFLSB-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)N(C)C1CCCCC1	1990122926	DNMJYEGUDJXOQT-AWEZNQCLSA-N	225.420	4.610	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC1(CCC)CC1	1990618112	JZNVBRXAVKPLPG-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C1CCC(C)(C)CC1	1996594000	IZMAYKZBYWIYEY-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@H]1CC=CCC1	1997545296	BGNLCEWWWPYGJQ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(O)CC2CCCC2)C1	2000037166	FZOUGSNOGSMULW-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](CCC=C(C)C)NC	2000333162	NAGNWZMMNHUERP-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@@H](C)CC(C)C	2000510977	FJKBECHVYOJGLY-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@H]1C=CCC1	2000522117	AXPUQHUANUJWII-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](C(=O)C[C@@H]1CC12CCCC2)C(C)C	2001255780	UESMSWUGLDQSOQ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H]1CCCCCCC[C@H]1CC(C)C	2003110552	FCTKTCVPXXYDPJ-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC(F)(F)CCC[C@@H]1CCCCCCC[C@H]1O	2003112182	RUXUZLYCBIKOKF-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
C[C@H]1CC([C@@H]2CCCCCCC2=O)C[C@H](C)C1	2003115710	CSQRAPZNAZDLPH-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@H](CCC(C)(C)CC)C[C@@H](NC)C1	2006633440	ZIRGQYNDABVKNL-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@@H](C)CC(C)(C)C)C1	2006671930	ZGBZNCGMCDDRFO-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@@H]2CCC[C@H](C)C2)C1	2006675009	XEXFOMVHALDXES-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1CC(CC(=O)C2(C)CCCCC2)C1	2007765061	CXYWOUGUKHAUFN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@H](NCCC)C1CCC(CC)CC1	2007858130	HYZHNLVINREZOP-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC[C@](N)(C=C1CCCCC1)C1CCCCC1	2007963728	MXNZDGMJUJOADQ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC1(C)CC(N[C@@H](C)C2CCCCCC2)C1	2009295914	BFFZAQNDPSSNMG-JEYLPNPQSA-N	237.431	4.514	0	10	BJAE	
C/C=C/CCCNc1ccc(C2(C)CC2)cc1	2009597035	YVPWLFZRWCJXJO-ONEGZZNKSA-N	229.367	4.506	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC)CCCCC1(C)C	2009629957	VOSHLPYPDWFLMX-JFDDCEBESA-N	237.431	4.539	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC[C@]12CCC[C@@H]1C2	2010983476	VZCUENSLYNBKJD-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC(=O)CC2(CCC2)C1	2012081575	OFDBTMPBPYZPRG-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@](CNCC(C)C)(C(C)C)[C@@H](C)C(C)C	2012421258	JVJANOMYAHHIKP-HOTGVXAUSA-N	241.463	4.577	0	10	BJAE	
CCCNC[C@@]1(C[C@@H](C)CCC)CCC1(C)C	2014848547	GJAHKNDTFKICHS-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC1([C@H](O)CC2(C(C)C)CCC2)CCCC1	2017121063	KNBWVDVANZHTJB-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C[C@@H]2CCC(C)(C)CC2=O)CCC1	2017128276	AICOYMQFZMTGEM-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](CC1(C(C)C)CCC1)NC	2017144325	UISAUDMSAUFOLS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](CC)(CNCC)CC(F)=C(C)C	2017463350	JNSXWALBMCCOOH-OAHLLOKOSA-N	243.410	4.836	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)C1(CC(C)C)CCCC1	2017484683	ACGYJMBNKGFJFE-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CC[C@@H](CC)C1	2017486579	LEULIGFHJDECAN-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@H](C)[C@H](C)CC)CC1	2017663732	XQXNVIWOGADCIF-KBUPBQIOSA-N	238.415	4.844	0	10	BJAE	
CCCC1CCC(C[C@@H](CN)C(C)(C)C)CC1	2017728060	HDDKCAGKIRPDJD-NRXISQOPSA-N	239.447	4.604	0	10	BJAE	
CCCC1CCC(C[C@@H](C)[C@H](C)NCC)CC1	2017728459	LZSFNRIGMTZUSJ-QVOMUQBLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CC[C@H](C)CC1)C(C)C	2017728823	PHQGUKLVKGLCNY-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@H](C)CCCCN)CC1	2017733394	JXLXHUIIAGIYSK-FHERZECASA-N	239.447	4.748	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(F)cc1C	2018139426	RPIHJBHJISRPBC-AWEZNQCLSA-N	237.362	4.905	0	10	BJAE	
CCC1(C[C@](C)(O)[C@@H]2CCCC(C)(C)C2)CC1	2018971727	BTCVAFHEZWIXFN-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H](C)C1(C)CCCC1	2019381574	GQOIONNTIPDBBL-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2CCCC(C)(C)C2=O)C1	2020396548	LMBLXSVCMMVPAU-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCN(C1CCCCCC1)[C@@H]1CC[C@H](C)C1	2020506555	SQUSXYMHRQZTFO-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1C[C@@H]1C1CCCC1	2022453442	GGTRUEOGDZBXHB-ARFHVFGLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@H]1C[C@H]1CCC	2022484541	OXBMPAUJEQDHNH-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](N)[C@H]1C[C@H]1C1CCCCCC1	2022536391	RBIXWZLHDUTWEU-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CC(F)(F)CCCC[C@@H](N)C(C)(C)C(C)(C)C	2023279745	SXXOCONOQRXENM-LLVKDONJSA-N	249.389	4.602	0	10	BJAE	
CC(F)(F)CCCC[C@]1(O)CCCCC1(C)C	2023312684	XRTURDWUZLBCNE-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1CC(C)(C)C1(C)C	2025014340	HHYXIYOFSIDMHD-KBPBESRZSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](CNc1ccc2ccccc2c1)C(C)C	2028988173	QYGNHSBJGIEPEU-AWEZNQCLSA-N	241.378	4.934	0	10	BJAE	
N[C@H](CCCC1CC1)c1ccccc1C1CCC1	2029074456	KKYMDCNJSCNFDT-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1cc2ccccc2o1	2029839303	YRQAREYJYRTZKI-BLLLJJGKSA-N	246.350	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1CC(C)(C)CC2(CC2)C1	2030279711	NGMQYAYVTIFETJ-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC(C)Cc1cccc([C@H](O)C(C)(C)C(C)C)c1	2032267802	CLOGHCLRHMMSKI-INIZCTEOSA-N	248.410	4.601	0	10	BJAE	
Cc1cc(C)cc(C(=O)C(C)(C)C2CCCC2)c1	2032298089	XLDAPSAOESDAEK-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNc1ccccc1C(C)(C)C	2032514797	OOQLOTKWMYZKGO-ZIAGYGMSSA-N	245.410	4.832	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCC[C@@H]1C1CC1	2032697497	FZRKWWMDUZOEKD-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C2CCC1(C(=O)C[C@@H]1CC=CCC1)CC2	2033438080	VJWAKEJHEOLLNI-TUBUQKNSSA-N	246.394	4.518	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)[C@H]1CCC1(C)C	2033561968	SXKFMARLGQUSAK-CVEARBPZSA-N	245.410	4.507	0	10	BJAE	
Cc1cccc(NC2CC(C3CCCC3)C2)c1C	2033784868	UKCBQYRXBNJXFV-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1CC[C@H]2CC[C@H]1C2	2035054654	YJDXTPFCUPEXFH-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC[C@@H]2C(C)C)c(C)c1	2035400961	SAMCUDHLIAFSQR-HZPDHXFCSA-N	245.410	4.848	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@H]2C=CCCC2)cc1	2035596540	CNCXLIRPKGWFQW-AWEZNQCLSA-N	243.394	4.752	0	10	BJAE	
C1CCCCC(NC[C@H]2C[C@@H]2C2CC2)CCCC1	2035892593	TYFZFGYNGWGOPX-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)N[C@H]1CCC2(CCCC2)C1	2036769997	AAJTXLAWRAZZCF-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CC[C@@H](C2(CNC3CC3)CCCCCC2)C1	2037696647	ARUNUYUYRYSAJP-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CCN[C@H]2CCCCC23CCCC3)C1	2038092652	RQMQNLJAOFEKGV-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@@H]1CC12CCCCC2)C1CCCCC1	2039059199	RYRBCGGFHHZSTB-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCc2nc([C@@H]3CCC[C@@H](C)CC3)[nH]c21	2039371530	XHUCVIMVGIJSNF-FRRDWIJNSA-N	246.398	4.533	0	10	BJAE	
CC1(C)CCC[C@H](CNC[C@H]2C=CCCC2)CC1	2039380030	FEFCVHAHWPSJFQ-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CC(C)(C)c1ccccc1	2040720715	DRVKLOLUNHACOW-HNNXBMFYSA-N	248.410	4.542	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)c1ccc(C(C)C)cc1	2040723731	NPGQSYUTBALWMK-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
CCCN[C@H]([C@@H]1CC[C@@H](C)C1)[C@]1(C)CC=CCC1	2042025497	VVPXRRLZHUKTDU-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1([C@H]2CCC[C@H](CC)C2)CC=CC1	2042095390	AHYNBDHDYQQRKQ-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C[C@@H]2CCC=CCCC2)C1	2045327748	XZNYGBVIEULKNH-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@H]1C(C)=CCC[C@@H]1C	2045748586	LVKUGNBFOOJKHF-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(C(=O)CC2[C@H]3CCCCC[C@H]23)C1	2048470767	WFCMBRKRTSHXMN-CWVKQELPSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1CC([C@@H]2CCNc3ccccc32)C1	2048633790	LJVRTPMUWSUANR-RUXDESIVSA-N	243.394	4.658	0	10	BJAE	
CCC1CCC([C@@](C)(N)C[C@H]2CC=CCC2)CC1	2049420803	VVNHZUNASHYRLB-XGHPGWEVSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CCC2=CCCCC2)C1	2049537905	VSKSUGCENNTQIJ-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
NC1(C2[C@@H]3CCCCC[C@@H]23)CCCCCCCC1	2049669309	IVIFKDLWUXLRQI-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CCCC(C)(C)C2)c1	2050461584	XAYFLZXBXYJPJP-CQSZACIVSA-N	244.378	4.784	0	10	BJAE	
C[C@H](Nc1ccccc1C1(C)CC1)C1(C)CCC1	2052347525	DNFYGDAYPAIJPO-ZDUSSCGKSA-N	243.394	4.729	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1N[C@@H](CC)c1ccccc1	2053260272	AOUXRGYEZDPCMP-XIRDDKMYSA-N	245.410	4.696	0	10	BJAE	
CN(CC1(C)CCCCC1)[C@H]1CCCC12CCC2	2053429448	KKMCMFGGCPSQLL-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@@](N)(CC1CCCC1)CC1CC(C2CCC2)C1	2056643125	PRWCSZLEELEMNZ-BDVYOWHSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@@]1(C)CC=CCC1	2056869653	CYBRZBIDEFVKOT-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC1([C@H](N)C=C2CCCCC2)CCCCCCC1	2056878933	OOGJULPUXVYZIS-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C1(C2CC2)CCCC1	2057603191	DIOSFCYHPXXYOA-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N[C@@H](C2CCC2)C2CC2)C1	2059391442	BZZDZQZIFXLBJK-IMRCBTMISA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC1CCC1)C1=CC[C@H](C(C)C)CC1	2061089769	VZARGTWLWLEYPI-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C1=CCC(C)(C)CC1	2061114192	WHIAFNOKABXALJ-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
N[C@H](CCC[C@@]12CCC[C@@H]1C2)CC1CCCCC1	2061617441	PHSYBAXQZCSXKP-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCCC1([C@H](O)CC2CC(=C3CCC3)C2)CCC1	2061687779	INNFCDILAMJSDO-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CC2CC3(C2)CC(C)(C)C3)C1	2063211966	VSVNVBTZLSKCGF-TZMCWYRMSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H]1C[C@@H](C2CCCCCC2)CC2(CCC2)C1	2063643815	WOJKMXCVGVDCSV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1CC2(C1)CC2(C)C	2063997472	VNNCWTMOEOAAKC-GLSMVSHZSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CCCC2)C1)C1(C)CCCC1	2067523597	ZOIZXXIUXGEVTH-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(F)ccc1NC1CC(CC(C)(C)C)C1	2067982523	GKBKQHGNISWWGM-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCC1(CC[C@@H](NC)c2ccc(C)cc2)CCC1	2069284965	MTZLRDORJABIMO-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
C[C@@H](NC1CCCCCCCCC1)C1CC=CC1	2070813308	CAKRQCUEAKGZTD-OAHLLOKOSA-N	249.442	4.824	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@@H]1C)c1cccc(C(C)C)c1	2071505607	PKWMZQVRDMZEDO-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
CCCC1CCC(C[C@](C)(N)C2CC=CC2)CC1	2072880244	ZMLWCXDDLGIELA-DQPZFDDXSA-N	249.442	4.667	0	10	BJAE	
C1=C[C@@H](N2CCCC[C@@H]2C2CCCCC2)CCC1	2075082969	VBSAOYIHXZTDSE-IAGOWNOFSA-N	247.426	4.530	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CCC23CCCC3)c1	2077264398	QXBVTAAMZPZDQI-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
CC1(CCCC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079484004	GZVGMPROWOCDLB-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2C[C@H]3CCC[C@H]2C3)c(C)c1	2086171973	SMDCEKANGOGWDC-HRCADAONSA-N	243.394	4.602	0	10	BJAE	
CCCCCCc1ccc([C@@H](C)NCC)s1	2210508357	NWFNWSFIIQKSKW-GFCCVEGCSA-N	239.428	4.541	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)CC(C)(C)CC	2214581902	OKNOONLLWHLTRK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CC1(C)CCC1	2214990736	DGDQCKJQXGYVKX-UHFFFAOYSA-N	247.769	4.793	0	10	BJAE	
CC[C@H](C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(C)=O	2216762502	JMMVQIASRJBWFQ-ZJIFWQFVSA-N	236.399	4.598	0	10	BJAE	
CCN(CCCCCCCC1CC1)C(C)(C)C	2216868502	FSIUYXBVDKYVPU-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC[C@@H](C)NCC1(C[C@H](C)CC(C)C)CCC1	2217146964	FHUKQCNDQYGZHH-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CC[C@@H]1CCC=CCCC1)C1CCCCC1	2220288452	KBBHSQDRYGDXMS-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC1=CC[C@@H](CNC[C@@H](C)C2CCCCC2)CC1	2221663425	ALJFAMROCNQNNY-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)N1	2222950601	YDHDCCPRAPAQLE-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CNCCC=C(C)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222971244	GZNOODMOLACYCF-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(CC)C(=O)Cc1ccc(C2CC2)cc1	2223643693	YYTRRRRGYMVLIB-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H]([C@@H](C)CCC(C)C)N2	2224122772	ZPYZKPYBWGFBSV-HOCLYGCPSA-N	245.410	4.794	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1ccc2occc2c1	2224161341	XQEVBZMQNPXHOU-AWEZNQCLSA-N	245.366	4.649	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)c1cccc2ccoc12	2224176420	NFJBJQKHBVUIKH-SWLSCSKDSA-N	245.366	4.520	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)C1(C)CC1	2244867235	KCWBMZVLIHAJNB-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC(C)(C)C1=O	2245481210	QFUGEHKJVKGKEV-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](CC[C@@H]1CCC[C@@H](C)C1)NC	2246727148	OAKRVEGBBHBBNV-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C[C@@H]1CCC1(C)C	2247306099	GNJDWSVDUKSMQR-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@H]1CCC1(C)C	2247307574	NHFBUDHMQMVOLH-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@H]1CCC1(C)C	2247412569	BCEULALERYWWAG-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@@]1(N)CCC[C@@H](C)C1	2248877723	GZXIUGSYMTZNAB-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1CCC[C@H]1C(F)F	2249201623	HYODXCRAUWUPTK-WCQYABFASA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1CC2(CCCC2)C1	2250362341	UIIDCANVIWJLHJ-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1CCCC(C)(C)CC1	2250384737	COBDUEOJFHAWOD-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(O)[C@@H]1C[C@H]1C	2250494670	XCBZAJZGPJYTQZ-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](O)(CCC2CCC2)C1	2251681284	KFRZFQBDQAGLMO-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@@H]2C[C@H]2C2CC2)C1	2253920781	UZLANRGHTLUSQL-SMKXDYDZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1CC1CC2(CCCC2)C1	2254105064	FQXJDQSDMPYRRK-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CN(CC[C@@H]1CCCC12CC2)C1CCCCCC1	2255234824	QRXIDVRWYSKFNL-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H](C)[C@H]1CC12CCC2	2256449950	YIVMHZNWUNZMLE-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@@]12CCCC[C@@H]1C2	2257246629	GRTJDAJXFZRPFW-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@]1(CN)C[C@@]12CCCC[C@H]1CC2	2260678451	LKDXPVBRSGRLGB-BHYGNILZSA-N	249.442	4.502	0	10	BJAE	
CC1(C(=O)c2cccc(C3CCCC3)c2)CCC1	2260734121	UIRVNTXFBFDUHW-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CCCCC[C@H]1C[C@@H]1C	2298507115	YDLCZQKXMJCJKJ-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@H](C)CC1CCC1	2298855235	YFNQOTUVFPMQOP-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@H](C)CC1CCC1)CC(C)(C)C	2298904136	FXCHZVFHEIDWTM-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCNC[C@@H]1CCCC[C@@H]1CCC(CC)CC	2300701883	URRVQZOPXVXWML-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@@H]1CCN[C@@H](C(C)(C)C)C1	2300702398	WVRZFLXJMIHITA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C(C(C)C)C(C)C	2300874353	JNRGCOZXHODYMC-OAHLLOKOSA-N	239.447	4.639	0	10	BJAE	
CC(=CC=C(C)CCCC(C)C)CCCCN	2300901906	OQEUGZLLHFEFMI-UHFFFAOYSA-N	237.431	4.834	0	10	BJAE	
CC=CC[C@@H]1CCCCCCCC[C@@H]1NCC	2300902265	SEMIGSQVYPJVTO-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(=CCc1ccc(C)cn1)CCCC(C)C	2300929482	PNWBCQZFFVGEFV-UHFFFAOYSA-N	231.383	4.705	0	10	BJAE	
CC=C(C)[C@H](CCC1=CCCCC1)NCCC	2301899299	HNHZINXBUUYWTQ-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
Cc1csc([C@@H](N)CCCC2=CCCCC2)c1	2302344275	DDSDSHVAGVLSIX-AWEZNQCLSA-N	249.423	4.727	0	10	BJAE	
CC(C)N[C@@H](C)[C@H](C)CCCC1=CCCCC1	2302360401	AMSPMPOZGJODBW-CABCVRRESA-N	237.431	4.680	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@@]2(C)C=CCCC2)C1	2302756410	SYWDOMJOMSDJBZ-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCCC(C)(C)C2=O)C1	2302879040	WLISODKSPOYBDL-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](C)(N)CC[C@H]1CC[C@@H]1C1CC1	2303156817	FKKAHQWAZIECBR-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC[C@H]2C(C)(C)C)CCCC1	2303478987	VRRCTGPQZPFUEE-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC1(C(=O)C[C@H]2CCC(C)=C(C)C2)CCC1	2303597107	MYSOZNUITQWZEX-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC(C)(C)CCc1nc([C@H]2CC23CCC3)cs1	2304493204	WDECNYDSOCOLRX-LLVKDONJSA-N	249.423	4.779	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc([C@H]2CCCC(C)(C)C2)n1	2307685352	YXSZOQTWKWUJAR-GRYCIOLGSA-N	249.423	4.950	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1[C@H]2CCCCC[C@H]21	2307923522	KJTPXWHCZLCOHA-HGTKMLMNSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@@]12CCCC[C@@H]1CCC2	2310425887	KELONUROYRJTIT-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)C[C@@H]1CCCCC12CC2	2312661577	QVDLFQNXKDCAAE-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)[C@H]1CCCCC12CCC2	2313624188	YMEIXLKTXVWAOK-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@](N)(CC)c1ccc(C)c(CC)c1	2314695657	XBSFGWKXAPHRHV-KRWDZBQOSA-N	247.426	4.702	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1cccc(C)c1F	2316501778	IIOKNACEBAEVPC-HNNXBMFYSA-N	249.373	4.531	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@]12CCC[C@@H]1CC2	2316509810	QVVPFAKHVXDNEH-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)[C@]1(C)C=CCC1	2317000363	BTLHJWIJWHTGRO-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)c1ccccc1C1CC1	2317836280	UDTZSKGONIQQIP-STQMWFEESA-N	244.378	4.675	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)CCC2=CCCCC2)C1	2319109065	VSXSIAXAXMLHAM-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)C2(C)CC3(CCC3)C2)C1	2319113082	KKXRDJTXOASUKR-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@]2(N)CCC23CCCCC3)C1	2319327290	VAOMUNUBDATNJJ-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C[C@@H]2CC[C@@H]2C2CC2)CC1	2319499407	COBOEHKMOHIQOD-GZIXRCOHSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@](CN)(CC2CCCCCC2)CC1	2320398203	PZUMTFVHWSFQAC-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](N)(CC2CC2)C2CC2)C1	2320625480	VQKJRZHCPJSBDG-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC12CC(C(=O)C3CCC(C)CC3)(C1)C2	2321631957	CWYCKGATBDIKBM-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@@H]3CCC(C)(C)C3)(C1)C2	2321645160	LPICANUYNWIVSS-NVPAJSRCSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C(C)C)C1(C)CC1	2327673587	QUBDYUXVLJQYOI-MRXNPFEDSA-N	245.410	4.569	0	10	BJAE	
CC(C)c1cccc(NC2CC3(CCC3)C2)c1F	2327800580	AHDMTIIFHBZNII-UHFFFAOYSA-N	247.357	4.694	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1cc2ccccc2o1	2328282361	OMZVSVVZBPZKLS-OCCSQVGLSA-N	245.366	4.649	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1	19985179	UDKSZFJWUKXNQS-UKRRQHHQSA-N	231.383	4.622	0	10	BJAE	
CCCCC[C@H](C)Nc1cc(C)ccc1F	20471540	NOJHJESSNZJELF-LBPRGKRZSA-N	223.335	4.515	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@@H](C)C(C)C)cc1	20522744	LGKJOESIUSGOJV-UONOGXRCSA-N	233.399	4.505	0	10	BJAE	
CCCCCCN[C@@H](C)c1ccc(Cl)s1	35286213	ARTGFVQISYNRAC-JTQLQIEISA-N	245.819	4.632	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)C2CCCCC2)cc1	36171575	LBLJXYIEDCBTAW-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccc(F)c(C)c1	70978397	FGHWVBBZDGNDKW-WFASDCNBSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@H]1CCC[C@H](CC)C1	71157073	MYGKNINKYWNXJH-DZKIICNBSA-N	249.398	4.537	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@@H](C)C2)cc1	80428166	LPSBRFOGTIXAFU-CZUORRHYSA-N	231.383	4.630	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCC[C@H](C2CC2)C1	81629184	UZGLPSOTPBUNNL-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)[C@]1(O)CCC[C@H](C(C)(C)C)CC1	94676191	LCXWWAQAFWTQTP-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](O)c1cc(CC)ccc1CC	97470536	WLZRENZIPLDNHE-QGZVFWFLSA-N	248.410	4.815	0	10	BJAE	
CCCC[C@@H](CC)C(=O)Cc1cc(C)ccc1C	104181640	CKWQMSBUFDSUIB-OAHLLOKOSA-N	246.394	4.631	0	10	BJAE	
CCC(=O)CC[C@@H](CC)c1cc(C)cc(C)c1	107482862	RZBLVRZDXNMSKW-CQSZACIVSA-N	232.367	4.556	0	10	BJAE	
CC(C)c1ccc(NCCc2cccs2)cc1	107724803	CICDINLFEUOHJX-UHFFFAOYSA-N	245.391	4.526	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC[C@@H]1NCC	109657923	QSHWGFGVZJVTHI-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)CCC(C)C)cc1	109785547	QQDMBTMYOSXGDX-CJNGLKHVSA-N	234.383	4.670	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)c1ccc(C)cc1C	109902388	PYFQLXKDMYOQOF-CABCVRRESA-N	233.399	4.533	0	10	BJAE	
CCC(CC)C[C@H](CNC(C)C)c1ccccc1	125460589	BJWVWBMYXOLQNI-QGZVFWFLSA-N	247.426	4.595	0	10	BJAE	
CCN[C@@H](CC(CC)CC)c1cscc1C	128209783	FZUOBKALYCLHOR-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)NCC2(C)CCCC2)c1	132613864	JHKJVKIVVXASQT-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H](Nc1cscc1C)c1cccs1	134324825	LBILKRNZHMLBPU-SNVBAGLBSA-N	237.393	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H](C)c2cccc(C)c2)C1	160200830	FNUQGIAVRHKKIW-YQQAZPJKSA-N	245.410	4.614	0	10	BJAE	
CC(C)CC1(C(=O)CC2CCCC2)CCCC1	165132841	MPMOMHJTILSZRX-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@H]1CCCC(C)C	165491913	QDXTUKCUCSQXNQ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CCCC(C)C)CC1	165690009	ZNCANAWMJSQCNT-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CCCCC1CCC(C(=O)CCC2CC2)CC1	166576462	TUMSHHQELHZIFA-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCCCC(=O)C[C@H](C)C(C)(C)C	167957492	RVUMMVCVINBTGY-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
CCc1cccc(C(=O)C2CCC(CC)CC2)c1	168001905	NSALIRDSGIDLRU-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
Cc1cccc(C(=O)CCC(C)(C)C)c1Cl	168131413	CVXFXIZDKLFRFN-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC(C)c1coc2c(Cl)cc(Cl)cc12	197867887	YIKQWKXRQYNUNG-UHFFFAOYSA-N	229.106	4.863	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCC[C@@H](CC)CC1	219283104	BUCAOJSJNLMIRQ-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNCCCC2CCCC2)C1	225103641	VEOKIADTBIVOGF-YOEHRIQHSA-N	249.442	4.539	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@H]1CCC[C@@H](CC)C1	229481941	LJVJPPCDOOVUIZ-VNQPRFMTSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C(C)C)C2)cc1C	230985994	LUMPAENLBOEISA-CVEARBPZSA-N	245.410	4.930	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCC[C@H](C(C)C)C2)c1	230987660	DJOAVRATQPRMET-KBPBESRZSA-N	249.373	4.761	0	10	BJAE	
CC(C)(C)[C@H]1CNc2c(Cl)cc(Cl)cc21	232520754	LAKZHVJDTQKIMQ-VIFPVBQESA-N	244.165	4.549	0	10	BJAE	
CCCCCC[C@@H]1CNc2ccc(Cl)cc21	232944737	AGSLNQBZWUYFKP-LLVKDONJSA-N	237.774	4.820	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(C(=O)CC)cc1	232967309	JOEPVFAVGIGBKI-ZDUSSCGKSA-N	247.382	4.660	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H](C)C(C)(C)C)CC1	251813788	OUFNTIKWRADCFQ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H](C2CCCCCC2)c2ccccc2N1	300115323	FQMFHNRNCPCRRW-CZUORRHYSA-N	243.394	4.945	0	10	BJAE	
CCCCCCNc1cccc(C)c1Cl	300896130	PIYYYTUSDCFRLE-UHFFFAOYSA-N	225.763	4.641	0	10	BJAE	
CCc1cc(NCC2CCCCCC2)ccc1C	302250477	BSPOMFSWANFQSV-UHFFFAOYSA-N	245.410	4.940	0	10	BJAE	
CCc1cc2c(Cl)c(CC)ccc2s1	306826664	CGJOUQOBMKYFIX-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)c1ccccc1CC	308008452	GUMMTMBROWPRNR-DOTOQJQBSA-N	248.410	4.745	0	10	BJAE	
CC(C)[C@H](C)CNc1ccc(Cl)cc1Cl	308901154	GPWYUFRNORYECD-SECBINFHSA-N	246.181	4.697	0	10	BJAE	
CC(C)[C@H](C)CNc1cccc2ccccc12	310200837	ATPNIODDYLLXRF-CYBMUJFWSA-N	227.351	4.544	0	10	BJAE	
CC[C@@]1(CC2CCC(C)CC2)CCCCCN1	310382894	HFESAFLCYQBXAW-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
C/C(=C\[C@H](C)C1CCCCC1)C[C@H]1CCCCN1	310758037	AGVAYBBNPWKHQE-DVINNUGASA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@@H](N)c2ccc(C3CCC3)cc2)CC1	310908767	GQHWYIXZYBOFDQ-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC[C@@H](NCCCCC(C)C)c1cccc(C)c1	310913683	HYSUBXXJMYBHDC-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCC1(C[C@H]2C[C@H](C)Nc3ccccc32)CCC1	311024946	ZVTPNCBOCCAFTJ-UONOGXRCSA-N	243.394	4.945	0	10	BJAE	
CCC[C@@H](CC)N[C@H](CCC)C1CCCC1	313461788	HYIQDEAELRQVQE-HUUCEWRRSA-N	225.420	4.514	0	10	BJAE	
CCC(CC)C[C@]1(CNC(C)C)CCC[C@@H]1C	318078570	PQEDFKYWCXRRGC-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@@H](C)[C@@H](C)CC)C(C)(C)C(C)(C)C	319500702	GIGWFKIEKTXGRA-MELADBBJSA-N	241.463	4.719	0	10	BJAE	
FC(F)c1ccc(SCc2ccccc2)o1	378912963	KPWCBIATSGLTML-UHFFFAOYSA-N	240.274	4.510	0	10	BJAE	
CCCN[C@H](C)[C@H](C)C[C@H](C)C1CCCCC1	379943234	YIAKUIZTAKMFGD-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H]1CC[C@H](CC)CC1	383135363	JEMOGVAONPODAU-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@H](O)CCC(C)(C)C)C1CCCCC1	384123527	HOURYNWZABQPMO-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@@H](C)c2ccccc2)C1	384286355	CVJZNZQSIMMLOV-INMHGKMJSA-N	246.394	4.512	0	10	BJAE	
CC[C@@H](Nc1ccsc1Cl)C1CCCC1	387562101	YEBUJIJULRGDEF-SNVBAGLBSA-N	243.803	4.782	0	10	BJAE	
CCCCCSc1cccc2ncccc12	393782282	QHAYFLHXUPLVOK-UHFFFAOYSA-N	231.364	4.517	0	10	BJAE	
CCc1ccc(C(F)F)c2scc(CC)c12	396168543	NJONQSIJMNQNRM-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1c(C(F)(F)F)cc(F)c2sccc12	396296994	KONCYOMCNBMSKC-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CSc1csc2cc(C)cc(C(F)F)c12	396412782	WPOMXYVJAAKVGT-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@H](CCC1CC1)N[C@H]1CCCC12CCCCC2	398097457	GAIXCJRMJRZSKJ-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
C[C@H](CNc1ccc(C(C)(C)C)cc1)C1CCC1	398628905	JDOARZMAVQFLGT-CYBMUJFWSA-N	245.410	4.832	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)c1ccc(C)cc1	400461158	LOPFASOKQCRUJB-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@H]3C[C@H]3C2)C1	403586335	CYUDZTKWHVEYEA-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CC[C@H]3C[C@@H]3C2)c1	403823820	LNJLXFPMIKEGKN-KBMXLJTQSA-N	243.394	4.658	0	10	BJAE	
CN[C@H](CCC(C)(C)C)CCC(C)(C)C1CC1	405827762	RQKXERCKMAQBMF-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc2c1ccn2CCC(C)(C)C1CC1	405936921	BDCDOKVKECFQGZ-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
CCCC1(CNc2ccc(SC)cc2)CCC1	687532264	TXTJYZRRMKRBFC-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CCCCC[C@H](CC(C)(C)C(F)(F)CC)NC	690999939	HGPDCCPUCGVRNX-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1ccc(F)cc1C	691140301	QDKHVOSSMUDWDD-CZUORRHYSA-N	249.373	4.905	0	10	BJAE	
CCCc1ccc(N[C@H]2CCC23CCCC3)cc1	694400593	DQJNSKNTXYOCQG-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC2(CC2)C1)c1cccs1	695690939	QCGUHGUOPZKFFI-QWHCGFSZSA-N	249.423	4.512	0	10	BJAE	
Cc1ccc(C)n1C1CCC(C2CCC2)CC1	695865003	RAVKGBXYBSLLFE-UHFFFAOYSA-N	231.383	4.636	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@H]1CCCC2(CC2)C1	695955116	HZUPOSGTRQVAHX-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@H]1CC[C@H](CC)CC1	696659095	MLQLLYBLDLAJEL-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC/C(C)=C\CCNC(C)(C)C	696802348	KCVOGLZGRMNABK-UVTDQMKNSA-N	239.447	4.927	0	10	BJAE	
CCCC1CCC([C@H](N)CCC=C(C)C)CC1	697759864	VRYFINSHINBQNN-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@H](O)[C@]1(C)CC[C@H](C)C1(C)C	699088706	IVGUHIWOHVACTE-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@]1(C(C)(CC)CC)CCCCCN1	701119181	WNMICNWITAHGPQ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@@]1(N)CCCCC[C@H]1C(C)C	704463018	XMGGZYUYOQSVHA-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CCc1ccc([C@@H](NC)[C@H](C)CC(C)(C)C)cc1	704727547	IFUZUFDXYPEVIZ-CJNGLKHVSA-N	247.426	4.582	0	10	BJAE	
c1ccc(-c2ccc(NC[C@H]3CC34CC4)cc2)cc1	705226941	QITQHVMTTKWJDB-MRXNPFEDSA-N	249.357	4.566	0	10	BJAE	
CCCC[C@H](NCCC)c1cscc1Cl	710467802	ZHICFESNJGKQBZ-LBPRGKRZSA-N	245.819	4.632	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)C12CCC(CC1)C2	710983401	XTEORPJAPWNMNL-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)CNC[C@H](C[C@@H](C)C(C)(C)C)C(C)C	711171984	HMYAZSBSEJHGFY-CABCVRRESA-N	241.463	4.577	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H](C)C1CCC1	713142947	KDMGFNFAPZURRJ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCC(=O)C1(CC(C)C)CCCC1	713674360	OJXGKYRYKVMPEG-AATRIKPKSA-N	234.383	4.684	0	10	BJAE	
C/C=C/C[C@@H](CC)c1ccc(CC)cc1	714549400	CKLMLNGBANTEGZ-BTKRWWFXSA-N	202.341	4.709	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CC(C)(C)CC[C@@H]1CN	718492660	HYSOFIUSZVTPBU-HUUCEWRRSA-N	237.431	4.524	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@]12CCCC[C@H]1C2	718540702	PGSZKDFNDBYISL-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
COc1c(CCC(C)=C(C)C)ccc(C)c1C	718645159	DPRPIYAQMZFNRK-UHFFFAOYSA-N	232.367	4.601	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cccc(CC(C)C)c1	721693018	RHQFVUGGNUXIPB-INIZCTEOSA-N	248.410	4.745	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cc2cccc(C)c2o1	721693686	WSZFZZCYWXFLER-OAHLLOKOSA-N	246.350	4.601	0	10	BJAE	
CC[C@H](N[C@H](C1CCCCC1)C1CC1)C1CCC1	724000674	RBDKPWHNXGTSNJ-DLBZAZTESA-N	249.442	4.514	0	10	BJAE	
Cc1csc(C)c1C(=O)C1(C)CCCCC1	724992242	IVPDLNAOJGFIET-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
C1CCCC2(CC1)CCCCN2CC1CCCC1	1198744088	ZVIJNRSLRACWRT-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
Cc1cccc(SCc2cccc(Cl)c2)c1	1613504600	CFGFQJMBIQLEKA-UHFFFAOYSA-N	248.778	4.941	0	10	BJAE	
CC=CC[C@H](NCCC)C(CCC)CCC	1900854510	ODZJRXVOZONBEF-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
Cc1nc(C)c(CCCC2=CCCCC2)s1	1901962248	LEQAWUQJQYTPLJ-UHFFFAOYSA-N	235.396	4.583	0	10	BJAE	
CCc1cscc1NC[C@H]1CCC[C@H](C)C1	1902376488	IWYFPODIOCIGMB-RYUDHWBXSA-N	237.412	4.549	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CC[C@@H]1C(C)(C)C	1902731746	OCZYLVARAKMNNJ-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
c1csc(-c2nc([C@@H]3CC34CCC4)cs2)c1	1903465011	ZNCRXMOTSLLQEZ-VIFPVBQESA-N	247.388	4.529	0	10	BJAE	
CC(C)COc1ccc2ccccc2c1Cl	1905220128	SLRZVDFGKOTQQN-UHFFFAOYSA-N	234.726	4.528	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1cscc1CC	1905367219	UTHVYZWTRWKFTO-FZMZJTMJSA-N	239.428	4.527	0	10	BJAE	
CNCC(=C[C@H]1CCCC[C@H]1C)C1CCCCC1	1911987433	JSTCBDATMGWGSX-GDBMZVCRSA-N	249.442	4.539	0	10	BJAE	
CC=CC[C@@]1(CNC(C)(C)C)CCC[C@H](C)C1	1912087857	FFLNNIWVNUGWOW-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C[C@H](N)C1CC2(CCCCC2)C1)C1CCC1	1912606740	KMSSAUJXCVNFSE-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(N[C@@H]2CCC3(CCCCC3)C2)CC1	1915872031	RZBLIXLHCAMCJL-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
C[C@H](CCN[C@@H]1CCC2(CCCCC2)C1)C1CC1	1915882014	HASXVTOJHDDVPK-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCCC2CCC2)CCC2(CCCCC2)C1	1915904531	GBFRXFNKCHBIPU-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCCc1ccccc1[C@](N)(CC)C[C@@H](C)CC	1920200702	DFTSMHMCMAUWSE-YOEHRIQHSA-N	247.426	4.639	0	10	BJAE	
CCCC1CC(C(=O)CCCCCC(C)C)C1	1921299261	WEYOQYVNUCTGCS-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](NC[C@H]1CCCC12CCC2)C1CCCC1	1921625870	WNNVXEZENZCDIE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
NC[C@H]1CCC2(CCC2)[C@H]1CCC1CCCCC1	1924787207	CACYFNCHPZRKFU-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
CCCC1([C@H](C[C@H]2C=CCCCC2)NCC)CC1	1925910084	LKKOOXVREAMGOC-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H](CC)C(C)C	1936645585	OJFRDIGOUCOPTP-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC1(CC(=O)CC[C@H]2CC2(C)C)CCCCC1	1940852269	DFCAORLMRIJPFJ-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](O)CC(C)(C)C(C)C	1941244977	CCVMTKCIWZHQDZ-CABCVRRESA-N	242.447	4.738	0	10	BJAE	
CCCNC[C@H](CCCC(C)(C)C)C1CCC1	1942095953	YEMYRKGVNHWIFX-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CC(CCCCNC(C)(C)C)C[C@H](C)C1	1943036590	LMXHEGHXVGICAJ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944204754	RTXCTYUEHZBGOW-NPJQDHAYSA-N	239.447	4.602	0	10	BJAE	
Cc1cscc1NC1CC(C2CCCCC2)C1	1945993605	AIKLAXDKSZNUCM-UHFFFAOYSA-N	249.423	4.827	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@@H]1CCC[C@H](C)C1	1947470665	VFWALWCXNHLVQA-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCCCC12CCC2	1947878060	DJSYMLGUBQESKZ-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCC(F)(F)CCOc1ccc(C(C)C)cc1	1947997497	NKBPKSJHUFIQAG-UHFFFAOYSA-N	242.309	4.624	0	10	BJAE	
CCCC[C@H](CCC1(C)CCCCC1)NCC	1948432207	IEICCMARFKOYEU-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CCCC(C)(C)C)C1	1948980129	HZZUYNKZUPFDFI-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)CCC1(CO)CCCCC1	1950373467	TWQUUWZSJFVSQI-OAHLLOKOSA-N	240.431	4.926	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1C(C)=CCC[C@H]1C	1950968565	LRWCGGLYBMYEGY-ILXRZTDVSA-N	237.431	4.523	0	10	BJAE	
CC=CC[C@@H](C)c1ccc(OC(C)C)cc1	1951288098	GMVCOWZTRNJBSD-CYBMUJFWSA-N	218.340	4.544	0	10	BJAE	
CCC(CC)(CC)C(=O)CCC(C)(C)C	1959913976	BNQFMNBKXLEHKW-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
C[C@@H]1[C@@H](NC2CCC3(CCCCC3)CC2)C[C@H]1C	1964581985	YNPNBOYIHJOACN-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1CCCC2(CCCC2)C1	1967855211	HUCZZYDIYCFEDO-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCCC1CCC([C@H](C)NC2CCCC2)CC1	1968314729	ARJMJDHEBDJBOZ-NFOMZHRRSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)ccc1F	1968591471	JLMYPLBOKWIDNV-RLSLPTNOSA-N	249.373	4.617	0	10	BJAE	
CC(C)Sc1ccccc1NCC(C)(C)C	1970341840	GKJKMLKBOVTINJ-UHFFFAOYSA-N	237.412	4.645	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCCC3(CCC3)C2)C1	1970497793	SDOKLMBRIUXFMH-HWOWSKLDSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(N[C@@H]2CCC3CC2C3)cc(C)c1Cl	1970798728	HRWKISWTPNJFNM-ORHYLEIMSA-N	249.785	4.557	0	10	BJAE	
CC1(C)CCC[C@@H](NC2CC3(CCCCC3)C2)C1	1972430351	QJJBBUVCAWOZGF-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CCCC(C)(C)CN[C@@H](CC)C[C@@H](C)CC	1973170406	LHNQNDHZHADTRU-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@@H](C)CCC	1978638434	LYCUFWSRQZIUDS-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CC(=Cc1cscc1Cl)c1ccc(N)cc1	1983420108	PPVPCGXNCARXRC-UHFFFAOYSA-N	249.766	4.544	0	10	BJAE	
CCCCCCC1(N)CC(CC(C)(C)C)C1	1987812805	NLFCUUIXWUFEJW-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCCC1([C@H](N)CCC(C)(C)CC)CCC1	1988432331	DHGCLMZUGZKJKR-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H](O)C2CCCCCCC2)C1	1996274099	YTQWBHOAFJELJJ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(O)C1CCC(C)CC1	1996551771	GQKJESUIVKUTHU-GRAKBVBRSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](CCCC1CC1)CC1(C)CCCCC1	2000324546	UJMUARUZZIEQFW-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](C)(CN)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2000483284	LKSWXBMKJJGCRH-JJXSEGSLSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@](CC)(CN)C1CCC(CC)CC1	2000501724	HJMDVOHKRLPVQY-GPANFISMSA-N	239.447	4.748	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C[C@@H]1CC12CCCC2	2001266721	WTCDPJWKLPXOIE-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2002154622	FITLNMNJTHKCHB-FOLVSLTJSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H]1[C@H]2CCCCC[C@H]21	2002208840	XDWTVDPXEBUPDZ-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCCCCCN[C@H](C)[C@H]1CCCC(C)(C)C1	2003007325	PSVOXASBQHBLPS-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(O)[C@@H]1CCC[C@H](C)C1	2003017751	SZALFTIGGGMOGT-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H]1CCCCCC[C@H]1CC(C)(C)C(C)C	2003096714	ZNJBPCAMLLNHDR-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(C[C@H]1CCC2(CC2)C1)C(C)(C)C	2003197229	KBLQGUDOUAOLFG-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@]1(C)C=CCC1	2003330027	PEAGHDVZKONFBE-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CNCCC1(C)CCCC1	2004711408	JLANHTZELJHFHB-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(CO)CCCC[C@H]1C	2005583307	NHVIKTUITNTVAK-FMKPAKJESA-N	240.431	4.638	0	10	BJAE	
CCC(C)(C)CC[C@]1(CO)CCCCC1(C)C	2005583849	RICMTYQPFVTJFP-INIZCTEOSA-N	240.431	4.782	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C=C1CCCCC1	2007966289	CSWVZTJBPSLFDP-HOTGVXAUSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@H](C)CCC)[C@@H]1CC	2009247472	BAAPGXQDKLOBLX-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@](C)(O)C1CCC(CC)CC1	2009595677	XPWIRCDDRHIIML-HBSNNGBZSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C1=CC[C@@H](C)CC1	2010625919	WPEJPXVUUOWXJH-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](O)(CC[C@]12CCC[C@@H]1C2)C(C)(C)C	2010968320	NJWJNFKDQIRAMQ-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@H]1CCC[C@H](N)C1CCCCCCC1	2011567992	HIVPOJIIQFHBEH-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@](CC)(CC(C)(C)CC)C(C)C	2012417816	WYFSDWAAKQXUEP-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC(C)(C)C(C)(C)C	2013267954	VMVWUGRSUQZWGH-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CCCCC(C)(C)NCC1C[C@@H](C)C[C@H](C)C1	2013534432	AZCNZTKFUVFZDN-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](N)CCC(C(C)C)C(C)C	2015346968	LGQYSSQQBDNZFO-OAHLLOKOSA-N	241.463	4.993	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)[C@@H]1CCCC(C)(C)CC1	2015385677	GVUQKHXHEWYBGM-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CC(=O)CC1(C(C)(C)C)CCC1)C1CC1	2017124828	WQENDQALXMFINB-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](NC)[C@@H](C)CC)CC1	2017724175	MHGRRYDZMNWIFT-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N(C)C1CCCCCC1	2018183850	ZXTAWJWLHLITEX-HNNXBMFYSA-N	239.447	5.000	0	10	BJAE	
CC(C)CCCCCN(C)C1CC(C(C)C)C1	2019340262	LNUGEQYYEVVBAX-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
C[C@H](Nc1ccccc1C1CCC1)C1(Cl)CC1	2021026888	ILWAJNNNLAVMCO-NSHDSACASA-N	249.785	4.526	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@@H](C)CCC)o1	2021518264	HJDHUDARLVBPEW-LBPRGKRZSA-N	236.355	4.631	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@@H](CCC)C(C)C	2022673022	ORSRZRDAUAFVQF-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@H]1CCCC(C)(C)C1	2024126057	VREPIEANLCIKHU-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C=C(C)C)c1ccccc1CCC	2027901400	KVLBQRIKIHCEFI-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1ccc(C2CCC2)cc1	2028264392	PDRXGUGBAPOIBP-IRXDYDNUSA-N	245.410	4.636	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)c2ccc(C3CC3)cc2)C1	2028590232	HSINQIVAAZPYAC-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CCN[C@H](c1ccc(C2CC2)cc1)[C@@H](C)C(C)C	2028591407	SNZWYPCHLYZROA-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)C1(C)CC(C)(C)C1	2029107103	XEBWISFMVWIMNR-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)c1ccc(C)cc1C	2029965625	AIHICRQOMNVJQM-CZUORRHYSA-N	247.426	4.780	0	10	BJAE	
C1CCCC2(CC1)CCN(CCCC1CCC1)C2	2032390545	CYXFCULQNKNNCQ-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
N[C@]1(CCCCCC2CC2)CC[C@@H]2CCCC[C@H]21	2034260465	UWYYMCMKJWMTTK-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H]2CCCC3(CCCC3)C2)C1	2034369869	ASQDRSWPLMBNSB-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2C=CCC2)CCCC[C@H]1C	2035590606	KRPVAQYSUOJWHD-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C[C@@H]1C=CCC1	2035596619	DALAFKMXQOFIAO-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCC1)C(C)(C)C1CCCC1	2035601187	OJAROHBEWHSSFW-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)C1CC2(CC2)C1	2036192840	QFBPQYVUHOHOCL-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CC2(CC2)C1)C1CCCCCCC1	2036757976	ZKAQTMUSSRNRFT-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1(CN2CCC[C@]3(C)CCC[C@@H]23)CCCCC1	2036774634	WOVWDUPQFOPYSJ-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1ccc(CC(C)C)cc1	2037096461	FBONPERYMLQWJB-WMLDXEAASA-N	247.426	4.711	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2CC3CCC2CC3)CCC1	2037136238	XBRLTIMFDCXVSE-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CC[C@@H]1CC1(C)C	2037274488	WXKBAALDHGQFKD-JJRVBVJISA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC(=O)[C@H]([C@@H]2CCC3(CCCC3)C2)[C@@H](C)C1	2037681225	DOEXQSRKQVYNFC-AYDFFVQHSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@@H]1CC12CCCCC2	2038998910	GVNJKCOBJZGEJZ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@@]12CCCC[C@H]1C2)C1(C)CCCCC1	2039861345	DPHZZOJQAPZLCK-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@@H](C)C2(C)CCCCC2)ccc1F	2039864414	ZQBGMFCSEBCYCB-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc(CC2CC2)cc1	2040719835	SKXHCBTWSAEIAH-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC1(CNC[C@@H]2CCC=CCCC2)CCCCC1	2045332664	QRMNJNNCRRISII-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
NC1(C[C@H]2C=CCC2)CCC2(CCCCC2)CC1	2045657025	GXTNBKYETFXGPA-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
NCC1(C[C@@H]2CC23CCCCC3)CCCCCC1	2047012801	QTZKZUWHDNSDGO-OAHLLOKOSA-N	249.442	4.646	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CCCCC12CCCCC2	2047561153	OHWYZMQVDUFIEU-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CCC2(CC2)C1)C1CCCC1	2049853526	FBRGJJYWHLAPJA-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCCC1([C@H](C[C@H]2CCCC3(CC3)C2)NC)CC1	2049857756	NSMVNIFTLUGWOC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@@H]1CCCC2(CC2)C1)c1ccc(N)cc1	2049860759	TUPRCXZZUUVKAB-KGLIPLIRSA-N	243.394	4.733	0	10	BJAE	
C[C@@H](C[C@H]1CCCC2(CC2)C1)c1ccc(N)cc1	2049860761	TUPRCXZZUUVKAB-UONOGXRCSA-N	243.394	4.733	0	10	BJAE	
CCc1ccccc1OC[C@@H]1CCCC2(CC2)C1	2049951473	OVUYWBOJTUEBGU-CQSZACIVSA-N	244.378	4.598	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)[C@]2(C)C=CCCC2)CC1	2049997916	RMUDKNHMSKJPJP-NVXWUHKLSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C[C@H]1CCCC(C)(C)C1)c1ccco1	2050522131	GLKKKGAQKXNDTI-KGLIPLIRSA-N	249.398	4.537	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)C)CCCCC12CC2	2053361376	XAZFSXXBWKMAOU-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)CC1CC2(CCC2)C1	2053402778	YRVRGCCOGWLZHZ-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2ccc(CF)cc2)C1	2055678338	OQECUKRIYNVVHZ-DOMZBBRYSA-N	247.357	4.560	0	10	BJAE	
CN[C@H](C1CCCCC1)C1(C)CCC2(CC2)CC1	2056550930	ABNMQVOWWIFCNW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC=C(C)[C@H](NCCC)C1CC2(C1)CC(C)(C)C2	2056774631	KWYYBSNISDTAGW-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCCCC1CC1)C[C@@H]1CCC[C@@H]2C[C@@H]12	2057361896	UBONEUQNBLAUTL-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2[C@H]3CCCC[C@H]32)C1	2059492320	NXIUFLLYDFVBJV-LJEMCRLJSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](O)CC2=CCCCC2)CC1	2061092827	SPUKVAXBBCAFFK-DOTOQJQBSA-N	248.410	4.620	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CC[C@@]3(C)C[C@@H]23)CC1	2065662616	BZFZERPCQXASRV-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC2(CC3CC3)CCC2)C1	2069504402	AJVNTQSWVPAEML-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccc(OC[C@]23CCC[C@H]2C3)cc1	2070917514	KNAQBHARPSZBNP-WMLDXEAASA-N	244.378	4.553	0	10	BJAE	
CC(C)CC1(C(=O)C[C@]23CCC[C@H]2C3)CCCC1	2070954597	JCNKEUCWWUTZPS-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@]23CCCC[C@H]2C3)CCC1	2071916444	ZGISGNHFROGFNI-GUYCJALGSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](CC2(N)C[C@@H]3CCCC[C@H]3C2)CC1	2072794346	SOWAGOZTBPJMML-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C2CCC[C@H](CN)C2)CC1	2072815530	NDUZJIZZLAUNPU-DQPZFDDXSA-N	249.442	4.668	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H]2CC23CCC3)CC1	2072876547	BJMLYEIWPPEODJ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccccc1NC[C@]12CCCC[C@H]1C2	2074045230	DJBSOCPRCXNHMW-WMLDXEAASA-N	243.394	4.802	0	10	BJAE	
C[C@H](C(=O)C[C@]12CCCC[C@H]1C2)C1CCCCC1	2074093605	GMWJRBNRLWDWBM-JLJPHGGASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@H]1CC(C)=C[C@H](C)C1	2074629746	SERDLVFCSAPNOW-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)C1(CC2CC2)CCC1	2074641367	IVTOMLXZNCPBHZ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)Cc1ccccc1C	2074785277	SCFKKGWMVDLFCV-KRWDZBQOSA-N	247.426	4.642	0	10	BJAE	
CCC1CCC(N2CCCC[C@H]2C2CCC2)CC1	2074859400	KFINKHDNQAXEFP-PREGVCBESA-N	249.442	4.610	0	10	BJAE	
C[C@H]1CCCCCCN1[C@@H]1CCC12CCCCC2	2075012108	GCBHBWWKZOQEGL-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@H](C)c1ccccc1	2075143607	IBLMULLPNAMUAM-DOTOQJQBSA-N	247.426	4.691	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CCC3(CCCC3)C2)C1=O	2076440878	VPFUWSQORUXZSP-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCCN(C[C@@H]1CCC2(CC2)C1)C1CCCC1	2076590999	HMYSTMVNPASWLI-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
Cc1c(F)cccc1C(=O)CC1CCCCCC1	2077861161	WETQQCPZSXTOGL-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCCCc1ccc([C@@H](C)[C@H](C)NC(C)C)cc1	2078005607	NTENOLHFDKDTOR-GJZGRUSLSA-N	247.426	4.519	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H]1C[C@H]1C1CCCCC1	2079435847	QXNSTNNWPZMQHV-RIPDXSTKSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1C[C@H]1C1CCCC1	2079436137	SOWLOXKDMILRBQ-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1C[C@H]1C1CCCCC1	2079529526	MAWSQFIUIWFMNV-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1c(CC)cccc1CC	2079627790	VZDYFVXKWPLPSJ-JKSUJKDBSA-N	245.410	4.660	0	10	BJAE	
Cc1cc([C@@H](N)C[C@H]2CCCC(C)(C)C2)oc1C	2082978678	ISNNNGZQAUOHCB-KGLIPLIRSA-N	249.398	4.503	0	10	BJAE	
Cc1ccc(C(=O)CCC2CCCC2)c(F)c1C	2083351206	HESGFQLISCKSKT-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](CC)c2cccc(C)c2)C1	2085253410	UWCZMOALCGIECH-HYVNUMGLSA-N	245.410	4.614	0	10	BJAE	
C[C@@H]1CC[C@@H](CC/C=C/c2ccccc2)C1	2210663072	XGXRKZNWLFCTHD-CCSFHNQDSA-N	214.352	4.916	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)C[C@H](C)CC	2212590359	VUAOSIDUKVHZFR-KFWWJZLASA-N	227.436	4.617	0	10	BJAE	
CCCCCC1(CN[C@@H](C)CC)CCCC1	2212597813	QPMHSRVVDOEEPX-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CN)CCCCCCC1CC1	2213572610	YICVZWKOPOMWMQ-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
NC1(CCCCCCCC2CC2)CCCCC1	2216884141	RVZFOWDXYZBLHC-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
C[C@@H]1C[C@H]1[C@](C)(N)CCCCCCCC1CC1	2216903618	SGSOXFSTCRTPCL-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@H]1CCC[C@H]1C	2217157320	RVXUTVAFCPTLBZ-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H]1C[C@H]2CCC[C@H](C2)C1	2218332082	GNLHXXZATSQADA-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
O=C1CCCCC[C@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218333164	OKMBEALBXLWXKT-DZKIICNBSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1(C)CC2(CCC2)C1	2220999817	HFPBIZREMRDGNG-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@H](N)CCC2(C)CC(C)(C)C2)cc1	2221032700	KYRVJMYXSARSHE-HNNXBMFYSA-N	245.410	4.601	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC1(C)CC2(CCC2)C1	2221082606	BMCTXCDAGVQAPG-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@@]2(C)CC=C(C)CC2)CC1	2221602348	CUJBUBQPDIMNLM-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CN2CCC[C@@]2(C)C2CCC2)CCC1	2223847836	IVTJWXUQJHFLII-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC1=CCCCC1	2243211185	SHPGQOFLTLAGSN-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCC(CC)NCC[C@@H](C)CCCC(C)C	2244866240	FLBBCGZDDZSEJT-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@](C)(N)CC[C@H](C)CCCC(C)C	2244870372	BIZSFVAQXQZKFD-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CCCC[C@@](C)(O)CC[C@@H]1CCCCC12CC2	2246638018	MFXVRHXYWUBKFG-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC[C@H]1CCC[C@H](C)C1	2246690735	BJUCENKZPVDALZ-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H](C)CC(C)(C)C	2247460895	HEODPQYMQVTRHP-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)[C@H](C)C(C)(C)C	2248815396	OZHQVYRAJGZWMC-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC)NCCCCC[C@H]1C[C@H]1C	2248869049	FQFUCFWSVPAWAV-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1cc(CC2CC(=C3CC3)C2)c(C)cc1Cl	2249172617	IOOWCSKOPNFWGI-UHFFFAOYSA-N	246.781	5.000	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@H](C)CN1	2250531354	XFLVTIAJLUBZPR-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(NC[C@]23CCC[C@@H]2CC3)c1Cl	2251166608	JZJBFRYJJBCMIM-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CSC[C@@H](C)Nc1cccc(C2CCCC2)c1	2251226908	PLQJEBHRWOWPTQ-GFCCVEGCSA-N	249.423	4.508	0	10	BJAE	
CCC(C)(CC)[C@H](N)C1CC(CC(C)(C)C)C1	2251540926	CQVPFGVXSKCYAP-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](O)(C2CCCCC2)C1	2251676396	BTWPPXUMMJGODI-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@H]1[C@H](N)C(C)(C)CCC1(C)C	2251703900	XSWVWIOEVBPEPA-IHRRRGAJSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@H]1CCCCC12CC2	2253805148	LLDCADVJAFYXON-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC1([C@@H](N)CC[C@H]2CCCCC23CC3)CCCC1	2253848180	BXBYLSJXUNRWLL-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CCCC[C@H]2C[C@H]2C)c1	2254589631	VTTRAROKOFXMIS-HLLBOEOZSA-N	246.394	4.553	0	10	BJAE	
CCN[C@H](CCC1CC1)CC[C@@H]1CCCC12CC2	2255291104	MGMQYDSLNUXPDK-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@H](CC)c1ccco1	2256144769	QQJHQTXKQXDENB-CYBMUJFWSA-N	247.313	4.544	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC[C@@H](O)c1ccccc1	2257251528	GYPSLOANSLMCKD-USXIJHARSA-N	246.394	4.717	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C1CC(=C2CC2)C1	2257305508	FPBGCIXSRKDHCU-TZMCWYRMSA-N	246.394	4.662	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1CC2(CC(C)C2)C1	2259514383	LCCUADLVNWBKKK-XOJNLIDHSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@]12CCCC[C@@H]1CC2	2260487170	FDVWKIHCDWOGCD-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CC(CC(=O)[C@@]23CCCC[C@@H]2CC3)C1	2260524956	QPQRQMGYRAOFFL-OCUYMYNFSA-N	248.410	4.598	0	10	BJAE	
C[C@]1(C(=O)C[C@]23CCCC[C@H]2CC3)C=CCCC1	2260627291	RNIXCSGUEPGVJR-BHYGNILZSA-N	246.394	4.662	0	10	BJAE	
CC(C)C(=O)CCc1cccc(C2CCCC2)c1	2260666016	AFOKZZMNMRCIMD-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
C[C@H]1CC[C@H](Nc2cccc(C3CCCC3)c2)C1	2260731277	VMAABZSODYENDY-GUYCJALGSA-N	243.394	4.945	0	10	BJAE	
CCNC[C@]1(CC=C(C)CC)CC[C@H](CC)C1	2300869345	HORAMZOOHOMNET-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC=CC[C@H](NCC)C1CCC(CCC)CC1	2300900769	BFOXBZXFBKCQMO-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(NC[C@H]2C[C@H]3CCC[C@H]2CC3)cs1	2301143999	ZFUGGLJFLCSCJX-MELADBBJSA-N	249.423	4.685	0	10	BJAE	
CN[C@@H](CCCCC1CC1)CCCC1(C)CC1	2302575503	XGLFSGKZDCRZFR-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](C)(CNC(C)C)C[C@H]1CCC(C)(C)C1	2302711303	XVQGRXGGGSCZGF-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)CC2=CCCCC2)C1	2302747483	DVSGWAMSCHPFMR-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@H]1CC[C@@H]1C(C)(C)C	2303466856	ZTFHZFNLPXEADB-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@@H]1CC[C@@H]1C(C)(C)C	2303510013	FFISZMKJQLCZDM-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](C)CC(C)(C)C[C@H]1CCC(C)=C(C)C1	2303576244	UXYHXLIJENHYQI-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@](C)(N)C2CCCC2)C1	2304418920	VJAYECATKMBNHH-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@H](NCC1CCCCC1)C2	2308400927	QZJJPFDGXREFII-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC1CCC2(CC1)CC(N)([C@@H](C)CC1CCC1)C2	2313605639	YPWMDVKRTSBAHK-ZFBLFJJNSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@](C)(O)CC=C(C)CC)cc1	2316531741	IRKNSUDOLSGASH-QGZVFWFLSA-N	246.394	4.593	0	10	BJAE	
CC(=CC=C1CCN[C@H]1C(C)C)CCCC(C)C	2316535365	GZOGJZNNLDUHNF-KRWDZBQOSA-N	249.442	4.703	0	10	BJAE	
C1CCCC(C[C@H]2CCC3(CCNCC3)C2)CC1	2317008588	DXRAHQSTISMBFK-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
Cc1cc(C)c([C@H](N)[C@H](C)[C@@H](C)C(C)C)c(C)c1	2317905313	AHZTXKGZYUSTQQ-ZMSDIMECSA-N	247.426	4.540	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)c1ccc([C@H]2C[C@@H]2C)o1	2317992513	YMRMFSXPLFDFMD-CYDGBPFRSA-N	248.366	4.514	0	10	BJAE	
CC[C@@](N)(CCCC1=CCCCC1)C1CCCC1	2318548413	LUQPYSFRTQXDBZ-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
C[C@H]1C[C@@H](C)CCN(CCCC2=CCCCC2)C1	2318575593	HAFRSLIFTYBNNY-HOTGVXAUSA-N	249.442	4.635	0	10	BJAE	
CCCNC[C@H]1CC[C@@H]1CCCC1=CCCCC1	2318593936	ZVVADPREHPJUOI-DLBZAZTESA-N	249.442	4.683	0	10	BJAE	
CC1=C(C)C[C@@](CNC(C)C)(C2CCCC2)CC1	2320261660	ROECDGBROLGGFT-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CNC[C@H]2CCC(C)=C(C)C2)CCC1	2320416926	OOJRDGQYDBHZHZ-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCC1(C[C@H](O)c2cccc(C3CCC3)c2)CC1	2320649668	COKZGYWTNHIKDD-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CC(C)=CCC[C@H](N)c1cccc(C2CCC2)c1	2320654750	BHJSOAUWODCAQI-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CC(C)CC12CC([C@@](C)(N)C3CCCCC3)(C1)C2	2321587393	NXWBRBDIXJHMFU-GTPINHCMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2C[C@@H]3CC[C@@H]3C2)C1	2321641857	IUCPSCGGAVEYMI-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc([C@@H](C)Nc2ccccc2F)cc1	21043944	FWHMLVHUYALPKJ-GFCCVEGCSA-N	243.325	4.561	0	10	BJAE	
CCc1cccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)c1	21519855	FSXNHVJPSDVGQZ-XJKSGUPXSA-N	245.410	4.876	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)CC2CCCC2)cc1	21797144	OPXZXIXBICAVPA-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
Cc1ccc(N)cc1-c1ccc(C(C)(C)C)cc1	32003126	SPBFNJNFKOSLPW-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccc(Cl)c(F)c1	37070017	PJAZCZKYLCEDAX-JTQLQIEISA-N	243.753	4.716	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc(Cl)c1C	37196654	SXFSYPPADIGVRE-SNVBAGLBSA-N	225.763	4.639	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(C)cc1OCC	69377498	HSFZDXDXIUKBQU-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1cccc(C)c1C	70977684	CXINPBPWRCMXGL-HOCLYGCPSA-N	231.383	4.684	0	10	BJAE	
CCCCCC[C@]1(N)C[C@@H](C)CC(C)(C)C1	71084899	QPXONNRQIHVMGH-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(O)CCCC(C)(C)C2)C1	79982473	SOHPHGPUYZBSFX-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)NCc1cc(C)cc(C)c1	83377773	CRFJMXBLIIBZKL-KRWDZBQOSA-N	247.426	4.752	0	10	BJAE	
CCC1CCC(N[C@H]2CCC[C@H](CC)C2)CC1	83640271	CAHUPCHWEHBJSQ-GRAKBVBRSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CC[C@H](CCC(=O)c2ccccc2)C[C@@H]1C	85037980	VWRJVFZZGQZJRC-SOUVJXGZSA-N	244.378	4.722	0	10	BJAE	
CCCC[C@@H](CC)CC(C)(C)CCNCC	87957237	IQSTUXAGRDDNIL-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CCCC(=O)c1cc2ccc3ccccc3c2o1	88071631	ZNMLWTSRFNYAAQ-UHFFFAOYSA-N	238.286	4.569	0	10	BJAE	
CCCc1ccc(NCC2CCC(C)CC2)cc1	89575625	RQBFJQIYJJQABI-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCCCC1(C)C	94279740	MOUUQNOERWYLAX-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc([C@@H](C)c2ccccc2C)cc1C	100045748	NKCSZNMKUBZFLO-OAHLLOKOSA-N	224.347	4.764	0	10	BJAE	
Cc1ccc([C@H](C)NCCC2CCCCC2)cc1	103986918	JINNRWKSGUPOSU-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
Cc1ccc([C@H](C)CC[C@H](C)N)cc1C(C)(C)C	107636415	UKLQHLBFAOASAN-OCCSQVGLSA-N	247.426	4.523	0	10	BJAE	
CCSc1ccccc1N[C@H]1CCCC[C@H]1C	109910952	SOYLFKNNXQSAIT-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
CCC[C@H](CC)N[C@@H](CC)c1ccc(CC)cc1	109944534	HTBZQHKNSPOIAZ-IRXDYDNUSA-N	247.426	4.868	0	10	BJAE	
CCCC[C@H](C)NCc1cccc2ccccc12	109946797	PELPHJPIAHPQAR-AWEZNQCLSA-N	241.378	4.508	0	10	BJAE	
CCC[C@](CC)(CNC(C)(C)C)c1ccccc1	110210090	BHFPEPYMPWVFKR-QGZVFWFLSA-N	247.426	4.523	0	10	BJAE	
CCc1ccc(C(C)c2ccc(CC)cc2)cc1	111342342	KXQKDDDZWYVBIU-UHFFFAOYSA-N	238.374	4.963	0	10	BJAE	
Cc1cccc2cc(C(=O)CC3CCCC3)oc12	125874288	ANDLVICJGZUWJQ-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CCCC[C@H](CC)CCC(=O)C1CCCC1	127264310	KKJRVLLSBDNPSN-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC[C@@H]1CNCCC	133519273	QBKCVRZTNUKRGK-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCCCOc1ccc([C@H](C)CC)cc1	141265606	SNLSEIHEGKPJLT-CYBMUJFWSA-N	220.356	4.769	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCCCCC(C)C	147388159	PAJUCWMLWCJSRG-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)c1cc(C)cc(C)c1	162250090	NJMBPBJLUIQLIK-GUYCJALGSA-N	247.426	4.780	0	10	BJAE	
CC1(C)C(=O)[C@H]2CCCCCCCCCC[C@H]21	162334253	CDUINYALFUACRR-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1cc(C)ccc1F	165793368	IBOHIJCWCJYPCH-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
CC[C@H](C)[C@H](C(=O)CCC1CC1)c1ccccc1	166580500	ZXYYRKGZTONNGQ-GUYCJALGSA-N	244.378	4.576	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C[C@H](C)CC(C)(C)C)c1	166795711	XMVOHJGTBOYGDJ-GOEBONIOSA-N	248.410	4.799	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)(C)C)C1CCCC1	167514579	FZZXBFONJIWSCC-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@]1(c2ccc(-c3ccccc3)cc2)CCS1	212363209	FMUPRRDMISCLTM-MRXNPFEDSA-N	240.371	4.706	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)c1cccc(C2CCC2)c1	226801301	QEWBHRABOWKCSB-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C(CC)CC	228689512	OJCIVUFUHMHINV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@@H](C)C(C)C	233601281	FYFIJBGFIZEWOE-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C1(C)CCCCC1	233606451	SDUOXNMBGRDQRX-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@@H]2[C@@H](C1)C(C)(C)CCC2(C)C	238803401	BWPHCHITVFALRH-JHJVBQTASA-N	208.389	4.885	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@@H](C)C[C@H]1C	300691622	XDFCFXQFVKNYGL-LVQVYYBASA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CC)CCCCC1CCCCC1	302236722	ALGJVEQOPALKBZ-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
c1ccc2c(c1)C[C@@H](CCC1CCCCC1)CN2	302286321	WCNAVZHVLVEAFA-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H](C)c1ccsc1	304448053	WXKHTLNQLYWPHM-RYUDHWBXSA-N	239.428	4.614	0	10	BJAE	
CC(C)(C)CCC[C@@H](CNC1CC1)C(C)(C)C	305913471	JHANMNZKQOUFGP-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
Cc1cc2c(Cl)ccc(C(F)F)c2s1	307062355	NYWCBERFSBAMDM-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
Fc1cc(Cl)cc2cc(C(F)F)sc12	307104052	HRYGSJZBKXJOBW-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCOc1ccc(Cl)c2cc(Cl)sc12	307313791	HQDBGRFLMRTHSR-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CC1(C)CCC(CC2(O)CCCCCC2)CC1	310191059	YULFYFXNFVHIIG-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CC=C(c2ccc([C@@H](C)N)c(Cl)c2)CC1	310223904	NUPFBTWPRHDWKP-GHMZBOCLSA-N	249.785	4.563	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cc2cc(C)ccc2o1	310669854	GTXIZAQFKWFMDU-MLGOLLRUSA-N	246.350	4.601	0	10	BJAE	
CCc1occc1C(=O)C[C@@H](C)C1CCCCC1	310925029	BCPYGRJHJYKJJR-GFCCVEGCSA-N	248.366	4.631	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(CC)(CC)CNCC(C)C	319090982	CKDPPICKPPXINF-HUUCEWRRSA-N	241.463	4.721	0	10	BJAE	
CC(C)(C)C(C)(C)NCC/C=C/c1ccccc1	323798021	FQQHJRXXNUCYJZ-UKTHLTGXSA-N	245.410	4.504	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H](C)c1ccccc1	379725758	SVXGMLDKTGYEJD-KBPBESRZSA-N	233.399	4.552	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1C=CCCCCC1	383124346	LJNJORBGOJVPGV-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCCCOc1cccc(Cl)c1	383212108	CKHFYFKOLAAYMK-UHFFFAOYSA-N	240.774	4.935	0	10	BJAE	
C/C(=C/CCNC(C)C)C[C@@H]1CCC[C@@H](C)C1	383508345	KRSZADLAZYHWQO-HHFCYPSPSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CCCCC1)C(C)(C)C	383941452	DZWQPFARDMUQIX-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC/C=C1\CCC[C@@H]1[C@H]1CCCCN1	386283474	OJIOLTNQXWTMCY-IYSULOHHSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC1(CC)CCC1	390352128	PNTXIWNQNGRJNQ-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](NCCCC(C)(C)C)[C@H]1CC1(C)C	397721600	XRHDOBRDZOBPAV-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)CNC[C@@H]1CCCC[C@H]1CC1=CCCC1	400628860	KMIDHYQLGKTANZ-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
Fc1cccc(Cl)c1CCC1=CCCC1	401176072	YARUXDPPAHUIMI-UHFFFAOYSA-N	224.706	4.522	0	10	BJAE	
CCC[C@H](NCCC(C)(C)CC)[C@H]1CC1(C)C	686311952	MJUCPZTXCNHGBP-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@@H](O)c2ccc3sccc3c2)CCC1	686924741	OIVIDRIIPPSTCQ-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
c1cc(N[C@H]2CCC[C@H]3C[C@H]32)cc(C2CCC2)c1	690115153	YJLBDWMIDMQOEV-UAGQMJEPSA-N	241.378	4.555	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC12CCCC2)[C@@H]1CC1(C)C	693788468	QCPNVAORBLLXRH-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC(C)C)[C@H](C)CC1CCCCC1	695099584	KXJJRCIWDLYHJT-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cc(C)ccc1Cl	696596756	ZYJUVYJLZZKTHL-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCC[C@@H]1CNC(C)C	696806912	PQVYBNORTRAQPQ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@]2(C)CC2(C)C)cc1	702220426	CPLSMDFRINXLFP-NUTKFTJISA-N	246.394	4.670	0	10	BJAE	
Cc1c(Cl)cccc1NCCCCC(C)C	703987213	NRPACNJTABHMIP-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
C[C@H]1CCC[C@@H](C2(N)CCC(C3CCC3)CC2)C1	704464460	GAQOLQCSPNXNKD-MHABSNSOSA-N	249.442	4.501	0	10	BJAE	
C/C=C\[C@H](NCCC)c1cccc2ccsc12	704615154	YYQIWRSYUYEOQH-XSHSDMCLSA-N	245.391	4.518	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CCCC23CC3)cc1	706214896	ITROMNAQNFXYIY-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H](C)C2(C)CC2)CC1	706953779	BMZDPBLXCUQIQO-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCNC[C@H](C[C@@H](C)CC(C)(C)C)C(C)(C)C	709126234	PEBXDYDEWHRQET-KGLIPLIRSA-N	241.463	4.721	0	10	BJAE	
CCSc1cccc(N[C@H](CC)C(C)C)c1	709755009	FEOBHGYWMUIGJD-CQSZACIVSA-N	237.412	4.645	0	10	BJAE	
CC[C@@H](C[C@@H](N)CC1(CC)CCC1)C(C)(C)C	711115472	XKIICBBKUWMFEF-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1C[C@@H]2CCCC[C@@H]21	712508489	KRNRJKXUKBIFLK-BHYGNILZSA-N	241.378	4.555	0	10	BJAE	
C=C/C=C\CCC(=O)[C@H](CCC)CC(C)C	713685365	PCWQGAKQFFNEDO-WBTMPAOCSA-N	222.372	4.540	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CC[C@@H]2CCCC[C@H]2C1	723617234	ZIKGLEGOPWZEIT-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(SC[C@H]2CCCC[C@@H]2C)cc1	1472938402	HHIPCLNKXGQXLS-UONOGXRCSA-N	234.408	4.913	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC1CC(C(C)(C)C)C1	1560856989	VKJNSZFTGBUXRQ-FGZQJIAISA-N	239.447	4.616	0	10	BJAE	
CC(C)=CC/C=C(/C)[C@H]1CC(C)(C)CO[C@@H]1C	1616162470	SJQNVWHNHXDMMZ-MJBYGXEJSA-N	236.399	4.740	0	10	BJAE	
CCCNCCC=C(C)CC1CCC(C)CC1	1879519859	CUADLAAVFMIEFN-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](CC)CC(C)=CCCNCC	1884963628	GTDKZZMPCMRJRC-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCC[C@H]1C(C)C	1895464766	DBXVRRCXZJWONA-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CC(=CCc1ccc(C)o1)CCCC(C)C	1900906313	RQDQPCYEMAJXKE-UHFFFAOYSA-N	220.356	4.903	0	10	BJAE	
CCCN[C@H](C)CCCC1CCCCCC1	1901060164	DLZOKCRLIVFECB-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)[C@H](C)C(C)C	1901692704	ADHFKIGLDINNTA-QLFBSQMISA-N	227.436	4.602	0	10	BJAE	
Cc1cscc1-c1nc([C@H]2CC2(C)C)cs1	1901907971	LNXKHKVWVOOVNC-SNVBAGLBSA-N	249.404	4.694	0	10	BJAE	
CC=C(CC)c1cc(Cl)c(O)cc1Cl	1904809249	QUASVFSFSKQAEX-UHFFFAOYSA-N	231.122	4.512	0	10	BJAE	
C[C@H]1C[C@@H]1c1csc(C2CCCCCC2)n1	1905261316	PPPDYAJNWVZVRA-JQWIXIFHSA-N	235.396	4.704	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)CCC(C)(C)C	1905364644	ZPASSPQXUNEWRI-HIFRSBDPSA-N	227.436	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1sccc1CC	1905380341	DUHAINAOKTYRNZ-YPMHNXCESA-N	240.412	4.560	0	10	BJAE	
CC[C@](C)(CCC[C@@H]1C[C@@H]1C)CNC(C)(C)C	1908569758	FZGSOBDHEJFASM-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@H](C)CCCC	1911984984	LDXPSMADEFNURM-HZPDHXFCSA-N	237.431	4.703	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NCCC=Cc1ccccc1	1911999320	DKRABCMGBLKELB-CVEARBPZSA-N	245.410	4.504	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)[C@@H]2CCCC23CCC3)CC[C@H]1C	1921610705	PMJPCHPYNFQUKO-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(=O)[C@H](C)C2CCCCC2)c(C)c1	1924101225	QLUCOHRKQXJTGN-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
C[C@@H](CC(=O)[C@H](C)C1CCCC1)CC(C)(C)C	1924115072	FLPKPUFGLKYWSV-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C(=O)c1cc(Cl)sc1C)C(C)C	1933564991	FANWLSHWTCIUSE-VIFPVBQESA-N	244.787	4.575	0	10	BJAE	
Cc1sc(Cl)cc1C[C@@H]1C=CCCCC1	1933565693	MPNHWBPSWVWZRS-LLVKDONJSA-N	240.799	4.999	0	10	BJAE	
Cc1sc(Cl)cc1C(=O)[C@@H](C)C(C)(C)C	1933566491	WNOQCZYIFMAPGG-SSDOTTSWSA-N	244.787	4.575	0	10	BJAE	
CC1(C)CC[C@H](CC2(C)CCCCC2)[C@@H](N)C1	1940400788	DBZKKMMOQNMZPK-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)CN[C@H]1C[C@@H](C)CC(C)(C)C1	1941357317	HSRBFLLIZXCBKP-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](O)(CCCC2CCC2)C1	1941470008	KOAAPBHAUCMZHG-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCCCCC2CC2)C1	1941574475	BEEHVMXCEIQPAP-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)[C@@H](C)CCC(C)C)C1	1942652899	LVBCLMLUXNNDEH-XUWVNRHRSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](CNC(C)C)CC(C)C	1942658781	PWGXNTFOHQDTFG-HZPDHXFCSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](C)CCNc1ccnc2ccsc12	1942821655	ZAYFHUTXQSCXMV-NSHDSACASA-N	248.395	4.535	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1C[C@@H](C)C[C@H](C)C1	1943041260	GJYVXEDCBDZQPD-STQMWFEESA-N	238.415	4.700	0	10	BJAE	
Cc1ccsc1C(=O)[C@@]12CCCC[C@@H]1CCC2	1944225310	YWIPLNPWKIRKTH-IUODEOHRSA-N	248.391	4.600	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)CCC1CCC1	1944667063	YRRZVUIPXZSFQP-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@H]1CCC[C@@H]1C	1944829603	DMDJALBNRDWDOB-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc(C)c(F)c1	1947465497	RXJVTCARBGIZPY-SWLSCSKDSA-N	235.346	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C[C@H]1C=CCCC1	1947587684	LUWGSBSLJVKPMI-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C[C@H]1C=CCC1	1947589212	WFBKFWMAJQPENP-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@H]1CCCCC12CCC2	1947863572	IYEHNIQQJIRZFY-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
OC1(CCCC(F)F)CCCCCCCCC1	1947878466	IPTOHNKQXOXLRU-UHFFFAOYSA-N	248.357	4.677	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC12CCC2)c1ccsc1	1947881238	LZEPMEUPRSHUFZ-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	1948584371	DLCCPOPIIRDEDW-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@H]1CCC2(CCCC2)C1	1949401320	BVQJUSLJUZLENG-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CNC2(CCCCC2)C1	1949539742	LBSUMSOUAFMAIT-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2(CO)CCCCC2)C1	1950371421	JMQHNIHFYXGQJP-LSDHHAIUSA-N	238.415	4.536	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CC23CCCCC3)s1	1950600377	XBUDNXIKTYWKSS-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)CCCC(C)(C)C)CC1	1950909819	AGBCJKPYLHOSIR-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CCC[C@H](C)CC1	1950925111	QIYPLOGFBUQJNI-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)c1nc([C@H](C)CC)cs1	1956204495	TZAYOGXOEBOMFM-NXEZZACHSA-N	211.374	4.560	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cc(Cl)sc1C	1959934773	PQFRQVHJDRJBTN-JGVFFNPUSA-N	244.787	4.575	0	10	BJAE	
Cc1cccc(C)c1CN(C)[C@H](C)CCC(C)C	1963009389	IWEQZDQLUMMRRQ-MRXNPFEDSA-N	247.426	4.560	0	10	BJAE	
C1=CC2(CCCCC2)N(CCCCCC2CC2)C1	1966450581	VLJVZUJNSPPNCZ-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
C[C@@H]1[C@@H](NC2CC3(CCCCC3)C2)CCC[C@H]1C	1968346976	UPUVQYMXBPGISC-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(N[C@H](CCC)C2CCC2)C1	1969866181	BUNXDYINGSPWCQ-AVVWSFFYSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCC1(CC2CC2)CC1	1972207695	BDIUAQAIXVMPNS-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCc1cccc2ccccc12	1984608217	UNOLOMAJTZCPPN-UHFFFAOYSA-N	210.320	4.739	0	10	BJAE	
CCCCC1CC(NC(CCC)CCC)C1	1984745838	DEENVSFFULKZGV-UHFFFAOYSA-N	225.420	4.514	0	10	BJAE	
CCCCCc1cscc1[C@@H](C)NCCC	1993924881	YBHCEBHBMGUZJV-GFCCVEGCSA-N	239.428	4.541	0	10	BJAE	
Cc1cc(F)c(Cl)cc1N[C@H](C)C(C)(C)C	1995047824	LAJJYYPVSRZGDJ-SECBINFHSA-N	243.753	4.634	0	10	BJAE	
C[C@@H](CN[C@@]1(C)CCCC1(C)C)CC(C)(C)C	1997356732	NXMXOCVBQITWJF-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H](O)CCC[C@@H]1CCC=CCCC1	2000012299	VVUIMJZNZNRXER-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CC(C)=C[C@@H](C)C1	2000169964	CCBHZTTWHQWHKU-OCCSQVGLSA-N	236.399	4.764	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccc(C)c(C)c1	2000212001	RDRVAZDMQARZIS-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CCCN[C@@H](C)[C@@H]1CCCCC12CCCCC2	2001578084	JHOLNIXYGSZDNP-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCCCC[C@@H]1N	2003101787	VPLHILQDRUYZSR-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)CCC[C@@H](N)c1ccccc1C	2003643116	OTQWWHKTLQXDAB-OAHLLOKOSA-N	233.399	4.601	0	10	BJAE	
CC[C@]1(C)CCCN(C[C@@H](C)C(C)(C)C)CC1	2004340134	XEEJXGZEPAHMQR-GDBMZVCRSA-N	239.447	4.571	0	10	BJAE	
CCC1(CC)CCC(N)([C@@H](C)CC(C)C)CC1	2004340691	CLTRDESKSRPTAU-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CC1CCC1)C1(C)CCCCCCC1	2004923907	WAJJCHXXUUGXIB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](NCC2(C)CCCCCC2)C1	2004937066	JSJVPMRHVQZBDM-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC1CC(NCC2(C)CCCCCCC2)C1	2004942314	RAGMUTYZXUTEFN-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC1CC(CC(=O)[C@H]2CCC[C@H](C)CC2)C1	2007771180	OPTWVTROLNUQFX-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](C=C1CCCC1)NCCC	2007940023	NHABIPSDMLUGPI-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CC(C)[C@]12CC[C@H](Nc3cccc(Cl)c3)[C@@H]1C2	2009130182	JCPZQDZVWWISLV-SOUVJXGZSA-N	249.785	4.577	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CCC2(C)CC2)CC1	2009545371	ZAJPNLVIZRBZEV-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](CC)CC1)c1cccs1	2010724970	FPGFUJHWRBHQKN-DOMZBBRYSA-N	249.423	4.535	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H](CC)CCCC	2010995578	RBDDBSZTKGQECD-CVEARBPZSA-N	237.431	4.692	0	10	BJAE	
CCCCCC[C@H](O)CC1C[C@H]2CCC[C@@H]2C1	2011984384	XWKJNXNGMPYDJM-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CCC1CCCCC1	2013269701	APEPDCMECZXNBV-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C[C@@H](C)C(C)(C)C	2013308613	HYPSZAKLSFKLSH-HUUCEWRRSA-N	241.463	4.815	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@](C)(N)C2(C)CCCC2)C1	2014341242	XMWUYHXWIHDSCT-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@]1(CC(C)(C)CC)CCC1(C)C	2014850637	XKJGZRZULSHPIM-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@H](C)C(C)C	2015270696	KZMFYCGJFGSOKC-BBRMVZONSA-N	234.383	4.526	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CCCC[C@H]1C	2017487199	PZANSSHVIXVFGM-VNQPRFMTSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(O)CCCC[C@@H]2C)CC1	2017653383	RWEHYHDOSVXNJY-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC)NC1C[C@H]2CC[C@H](C1)C2	2018141773	SPJLOFWLATYVPG-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@H](CC)CC(F)F	2018183806	ZRQZHBBPEAVOMD-OLZOCXBDSA-N	249.389	4.568	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@@H]1CCC(C)(C)C1	2018186673	GAGBBKYWWWNELI-LSDHHAIUSA-N	239.447	4.856	0	10	BJAE	
CCCCC[C@H](C[C@]12CCCC[C@@H]1C2)NCC	2018567817	CEVKVGBUPJMWGT-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CCC[C@H](C)CC2)CC1	2018971196	WUYWNPUTHSRJOQ-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCCNc1ccccc1C1CCC1	2021027073	OKZHMRYTMRAIMD-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1COc1cccc2sccc12	2022546122	DTGDOIMTNUSCRF-DGCLKSJQSA-N	246.375	4.572	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCC[C@H](C)CC1	2022556369	FMBUBODWYPEMHQ-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CC(=O)c1ccccc1-c1ccc(Cl)c(C)c1	2022730262	CIPQCXCLZNLJSQ-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CCCC1CCC(C[C@@H]2C[C@@H](C)CC2=O)CC1	2023634519	YPGOFALSHWUQPP-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CCC(F)(F)C1	2026064518	XMBPDRWBGYZAJT-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H](C(=O)c1ccc(CC(C)C)cc1)C(C)C	2028253432	WQJLRJLCIBJNPQ-MRXNPFEDSA-N	246.394	4.750	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)c1ccc(C2CC2)cc1	2028593313	LSFHRHQDSWUOQO-DLBZAZTESA-N	245.410	4.636	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)CC(C)(C)C1CC1	2028874139	LUYLDIMNGWWVRT-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](O)c2ccc(C3CCCC3)cc2)CCC1	2031751741	HDBAVHHYZLDBNJ-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CC(C)NC[C@@]1([C@H]2CC2(C)C)CCC=CCCC1	2033634383	VAXOHEZMYUCZBI-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCc1occ(C)c1C(=O)C[C@H]1CCC[C@@H](C)C1	2035538117	LZUHDKRFQHWZED-YPMHNXCESA-N	248.366	4.550	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCCC2)CCC[C@H](C)C1	2035597135	BILXKOHTPODAHZ-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCNCC1(C[C@@H]2C=CCCC2)CCC(C)CC1	2035598174	DUTHPMSOEVIJHD-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CCCCC(=O)CC[C@H]1CCCc2ccccc21	2036504773	DTGWIRFZSCOHID-OAHLLOKOSA-N	244.378	4.646	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	2036662717	YHZXIZDMZZKJFQ-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1	2036663396	CSBBVRCOWWQGTH-VQHPVUNQSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CCC1CCCC1	2037105926	VLUQYLSAGHKDEK-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CC1(C)C[C@H]1CCCC1(N)C[C@H]2CCC[C@@H](C2)C1	2037177947	INQGLICDFCZTCB-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@@H](NC)[C@@H]2CCC3(CCCC3)C2)CCC1	2039719488	IJJNPVDFINKWRH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](c1cc(C)cc(C)c1)C1(CC)CCC1	2039721018	ZHQBXWCXQWKBDN-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
C[C@H](N[C@H]1CCC12CCC2)C1CCC(C)(C)CC1	2040634609	ACRPYBFIDBOEQE-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(N)C2CC3(CCC3)C2)C1	2043539903	GZSWYXXKUDRYCU-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H]1N[C@H](CC(C)C)c1ccccc1	2043675803	JDBCWTOBONQRGG-DJIMGWMZSA-N	245.410	4.552	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2CC23CCCCC3)CC=CCC1	2047063953	AKPXEOVPIOFUGK-ZBFHGGJFSA-N	246.394	4.662	0	10	BJAE	
CCCC1(CN[C@@H]2C[C@H]3CCCCCC[C@H]32)CC1	2047435475	WPXYQVLEMOYGSY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2[C@H]3CCCCC[C@H]32)C(=O)C1	2048471836	PWKSHZGWMAFPMA-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1[C@H]2CCCC[C@H]21	2048472685	FIDYDHFAZDPLFY-BJWYYQGGSA-N	248.410	4.742	0	10	BJAE	
CCCC1CCC(N)(C2[C@@H]3CCCCC[C@@H]23)CC1	2049211450	KVZSRPIYFCKJCD-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@H]1CCCC2(CC2)C1	2049851643	BYMSGUZKQMQSSS-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CC2CCC3(CC2)CC3)C1	2049853181	JKOJUOIIXZCRAH-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CCC1CCC(N)(C[C@@H]2CCCC3(CC3)C2)CC1	2049862690	YJRZWMFVNZPUQX-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@@]1(C)C=CCC1	2050008164	SLWVOOWODDCYFV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1[C@H](N)CC[C@@H]1C=CCCCC1	2050461201	RNDITHGIIZVHRA-NVXWUHKLSA-N	243.394	4.521	0	10	BJAE	
CCCC(=O)CCCc1ccccc1C(C)(C)C	2053958980	JKERXWHZRBOJSM-UHFFFAOYSA-N	246.394	4.676	0	10	BJAE	
CC1=C(C)[C@@H](NC[C@H]2CCC=CCCC2)CCC1	2055552808	SNOCJOTVEAXSOM-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CCC[C@H]2C(C)C)cc1	2056449509	IXEAHOUZZZFWLA-JKSUJKDBSA-N	244.378	4.504	0	10	BJAE	
CC(C)C[C@](O)(CCC1(C)CC1)c1ccccc1	2059178789	VSSLUKYZMKVWLY-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](C)CC[C@@H]1CNC1CC1	2059250961	VOCHWSQOSBRZKY-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CC(C)C1)C1=CC[C@@H](CC)CC1	2061141453	VMZWAGLZOVHODS-CLKYRPBMSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCCN[C@H](CC(C)C)c1ccccc1	2062372420	RQNJZJZTLZJHQE-LAQIPUCWSA-N	245.410	4.720	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC1(N)CC(C2CCCCC2)C1	2062650752	GIPDKNQRROKSPN-OBTMHIKCSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063516087	NIQBDBIQDSPQJT-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@H](O)CC(C(C)C)C(C)C	2068844019	NVYSQOFOHZCVCG-QGZVFWFLSA-N	248.410	4.601	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)C[C@@H]2CC23CCC3)C1(C)C	2069191267	XFKUFXFCHDJPHW-XJKCOSOUSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CC23CCC3)CCCCCCC1	2069201232	FEMCJTJKVXUBLF-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCCC1(CC2CCC3(CC2)C[C@@H]3CN)CCC1	2069343381	ZDACPRARGOLOEU-ISXOHVOVSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCC1(CC2CC2)CCC1	2069508004	YZHBRSXTQUERFM-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1(CC2CC2)CC1	2069511162	KXLJGRRQYGOOSM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)C1(CC(C)C)CC1	2069518082	USHODIYBUVFGNJ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@H](O)C2(C(C)(C)C)CCC2)c(C)c1	2071969299	QGQUURZHNUMDBE-HNNXBMFYSA-N	246.394	4.553	0	10	BJAE	
CCC1CCC(C[C@]2(CNC)CC=CCC2)CC1	2072803266	GPAAIBJCCDUHHG-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@@H]1CCCCC12CC2	2074885874	PJQLLXKEQALZDB-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CC1CCC([C@H](C)N(C)[C@@H]2C=CCCCC2)CC1	2075405847	VMKOWERIQWZMMB-ODZFXCKXSA-N	249.442	4.632	0	10	BJAE	
CC(C)c1ccccc1[C@@H]1CCCC(C)(C)C1=O	2076444322	WSZJWTCUEGKAPJ-HNNXBMFYSA-N	244.378	4.673	0	10	BJAE	
CCCCc1ccc(-c2cccc(NC)c2)cc1	2077918371	MRTBTKDXJRWJLH-UHFFFAOYSA-N	239.362	4.738	0	10	BJAE	
CCCCc1ccc([C@@](C)(O)C(C)(C)CC)cc1	2077919354	YLMKEFRNFHDUDC-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CCCN[C@@H](c1ccccc1C(C)C)[C@@H]1C[C@H]1C	2079238029	GYMSWDDGQHYHNK-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CCC)[C@]1(C)C=CCC1	2079645151	PKZIJODBOKZGEE-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1NCCC1=CC1CC(C)(C)CC(C)(C)C1	2082972454	JMNCYMWWCSSNQL-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C=C1CCCNC12CCCCC2)C(C)(C)C	2083811999	HWAYMCBLELTNLU-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(N2[C@H]3CC[C@H]2CC(CC)C3)CC1	2084423885	BNSWVFRNKRVDLD-KMZOKZLKSA-N	249.442	4.608	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H](C)c2ccc(C)c(C)c2)C1	2085252228	MMOKRQVEGWLQCU-ZMSDIMECSA-N	245.410	4.533	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)C[C@@H]1CC12CC2	2086353728	YGNCQCBBAIADLV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2213284523	IVFVEOWQHLZWEJ-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC1(CC[C@H](N)C2CCCCC2)CCCCC1	2214765938	QZELZVMBGHAEKK-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@@H]1CCCC(C)(C)CC1	2215107185	YXNLVILEIBKSSD-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](N)(CC[C@@H]1C[C@H]1CC)C1CCCC1	2215258344	XQVXUKDVQGESMP-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1c(C)cccc1C	2216065937	QDHKYXZIDLTZEO-GOEBONIOSA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](C)N(C)[C@H]1CCC[C@H](C(C)(C)C)C1	2216259325	SVYDTTJYNANMJE-KKUMJFAQSA-N	239.447	4.712	0	10	BJAE	
CCCC(C)(C)[C@@H](CCCCC(F)F)NCC	2216446829	IZEFSIIUCZTTFT-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
O[C@@H](CCCCC(F)F)CC1CCCCCC1	2216460718	YDQMHSQCAFDXFK-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@@](C)(CNC1CCC1)C1CC1	2217153971	PSBLEDBJXKPGLW-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)C[C@@H](C)CC(C)C	2217157325	RWWQYPNVDUHGMI-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](NC1CCC(C2CC2)CC1)C1CCC1	2218892891	BRPIBCPKDQZJGF-BDVYOWHSSA-N	249.442	4.514	0	10	BJAE	
CO[C@H](C)c1ccc(C[C@@H]2C=CCCCC2)cc1	2219440090	HCVAHGKOMFZLGE-HUUCEWRRSA-N	244.378	4.683	0	10	BJAE	
Cc1cc(C)c(C(=O)CCCCC2CC2)c(C)c1	2220022372	HXFILIXNWUODNE-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)c1c(C)coc1C	2220037915	LCASIZWLXXKOHO-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
C[C@H](CC1(C)CC(C)(C)C1)C(=O)c1ccccc1	2221077027	VGDVFDUSDWOJTK-CYBMUJFWSA-N	244.378	4.722	0	10	BJAE	
CC1=CC[C@](CNCC(C)C)(C2CCCC2)CC1	2221669178	VIOCWEQPKLWVOL-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
C[C@](N)(C[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCC1	2222956140	ZLWVMNSNXNIXLZ-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC[C@@]2(C)C2CCC2)C1	2223856961	JNXKBVNWLQKOLX-RDJZCZTQSA-N	249.442	4.610	0	10	BJAE	
CC[C@H](CCC(C)C)NCCCC[C@@H]1C[C@@H]1C	2247129222	NDVGPIWXWWCZHB-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)C1CCCCCC1	2247158956	KAEXJOQZQIQDME-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C1(C)CC=CC1	2248812486	AFVFWROAXVVORZ-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCCC1(NCCCCC[C@@H]2C[C@H]2C)CCC1	2248877661	GMYOTJUULDDZCX-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)[C@@H]1CC1(C)C	2250466478	FKSCWMVKDUNJPZ-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@H](C)NCC[C@@H](C)CCCC(C)C	2250526911	HFUFEEIPYCAFKM-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC=CCCC[C@]1(O)CC(C)(C)CCC1(C)C	2251676836	DANCNYSUNXJRLU-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@H](N)c1ccc2ccsc2c1	2253058529	DDMRFBBPKYARKZ-AWEZNQCLSA-N	247.407	4.872	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(CC)c2ccc(F)cc2)C1	2253415419	AHGVIQDGJRRKIO-XJKSGUPXSA-N	249.373	4.621	0	10	BJAE	
O=C(CC1CCCCC1)C[C@@H]1CCCCC12CC2	2253780734	AWEIPUFLIGDYBA-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C[C@](N)(CC[C@H]1CCCCC12CC2)CC1CCC1	2253849730	CVRXJQKMVGZCES-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(CN)CCCC23CC3)C1	2253911768	VIQRIDQNJQUZDP-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CC1=CC[C@H](CNCC[C@@H]2CCC[C@@H](C)C2)CC1	2253963838	HUXKLZUJTKUVMZ-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCn1ccc2ccc(F)cc21	2254522549	PDUHOAXPZUMCKT-TZMCWYRMSA-N	245.341	4.607	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C[C@@H]1CCC1(C)C	2255027144	SBXZLNWPRVYTSA-GRDNDAEWSA-N	249.442	4.667	0	10	BJAE	
CCc1cccc(F)c1NCCC[C@H]1CC1(C)C	2256110265	DZRHFYNEJBHFAJ-ZDUSSCGKSA-N	249.373	4.626	0	10	BJAE	
Cc1ccc(F)c(NCCCCC[C@H]2C[C@H]2C)c1	2257320417	IRCQHASEBQRTLP-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H](C)C[C@@H]2C)cc(C)c1C	2258233989	STQXOHWJUKMYKU-PZSREKOKSA-N	245.410	4.848	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)c1ccc2occc2c1	2259450868	AZOBCZRWIMZUPG-WBMJQRKESA-N	245.366	4.520	0	10	BJAE	
CCc1ccc(NC[C@@]23CCCC[C@@H]2CC3)cc1	2260629170	UNVOHFSOGLZFED-WBVHZDCISA-N	243.394	4.631	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H]1CCNc2ccc(F)cc21	2261337507	GKQCQOPWGIFAFC-OCCSQVGLSA-N	249.373	4.797	0	10	BJAE	
C[C@@H]1CC=C([C@@]2(N)CC(C)(C)CCC2(C)C)CC1	2261381000	KPRPFOQYQMFCIU-DYVFJYSZSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](CCC(CC)CC)C1	2300689093	UNTLHKNMGWDLKB-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H]1CC[C@@H](CC=C(C)CCCC(C)C)C1	2300886780	ALOJZXMSLHRPQB-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC(CO)(CCC2CCCCCC2)C1	2301135929	QNWIBQCXRBXEPB-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCCCCC2)[C@H](N)C1	2301137145	FIGAKTZLGRMODD-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@](O)(CC2CCCCCC2)C1	2301207324	JKUIHZIRDULMEE-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
NCC[C@H]1CCC[C@@H](CC2CCCCCC2)C1	2301244230	KNAPPHLMHARGPN-CVEARBPZSA-N	237.431	4.502	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](O)C1CCCCCCC1	2301834016	VYIIKBLHVAAXOQ-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)[C@@H](C)[C@@H](C)C(C)C	2301845201	WKPLSZFPBCNUQL-CAOSSQGBSA-N	242.447	4.594	0	10	BJAE	
CC[C@@H](C)CCN(C)CCCC1=CCCCC1	2302353081	BFGRIKJWWCLWIB-OAHLLOKOSA-N	237.431	4.635	0	10	BJAE	
N[C@H](CCCCC1CC1)C1=CCCCCCC1	2302575080	STVUVQXWMURJHT-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303466242	ULTQWASALBPXJG-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@H]1CC[C@@H]1C(C)(C)C	2303474912	IHVWHBLLYYCLCY-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)[C@H](C[C@@H]1CCC(C)=C(C)C1)NC	2303595362	SCQLCFVSFKWZOA-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@](C)(O)CC2CCC2)C1	2304351363	HBQGHJOSMKDMCR-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCN(CC[C@H]1CCC(C)(C)C1)[C@@H](C)C(C)C	2304414807	CHMKUZFINWXMRE-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](C)C(=O)CC[C@H]1CCC(C)(C)C1	2304415065	FPSUWYINWMETKM-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](C)CCN(C)CC[C@@H]1CCC(C)(C)C1	2304434649	KMPPSATUAOXOIH-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	2308400761	PHNYRNBFAPNXCJ-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
C1CCC[C@H]2[C@@H](CC1)C[C@@H]2NCCCCC1CC1	2309184446	GULQGRHFQLTSEQ-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@@]12CCCC[C@@H]1C2	2311128709	RQOWHUJHGGVLBC-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1N[C@@H]1C[C@H]1C1CCCC1	2311537476	QBQLYFQOSMQSQJ-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@@](N)(C[C@@H]2C[C@H]2C2CCCCC2)C1	2311570101	CFRUNFHSFLDLJD-HJWJTTGWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)C[C@@]12CCC[C@@H]1CC2	2313346219	NTBGVXUGMMUUPT-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H]1C[C@@H](C)Nc2ccccc21	2313624234	LYSXKNVVSGGBTJ-WOSRLPQWSA-N	243.394	4.801	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2313628947	NNRWPTQZBMXUMR-ARLBYUKCSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)N1CC[C@H]1C1CCCCCC1	2313654088	GBORJPQHSYPGGV-YOEHRIQHSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCC=C(C)C1CC1	2315276507	PDVBFNLSPHMJMM-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC[C@@H](N)C[C@H](C)c1ccccc1	2316236357	ULAXGBPKLNBGHF-WMLDXEAASA-N	247.426	4.724	0	10	BJAE	
CC(=CC[C@](C)(N)C1CC=CC1)CCCC(C)C	2316504358	VIITUSZNXAANDW-KRWDZBQOSA-N	249.442	4.833	0	10	BJAE	
CC(=CC=C[C@@H]1CC(C)(C)CN1)CCCC(C)C	2316538417	WOXVQHVMMADIHS-MRXNPFEDSA-N	249.442	4.703	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)c1ccoc1C	2316864684	GKIAKFXBJGWWGN-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CCC2(CC2)C1	2317929252	LUSXGDZDBAUVME-ZDUSSCGKSA-N	247.357	4.694	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@]12CCC[C@H]1CC2	2318570734	XZJJUKYKNOCPQV-DOTOQJQBSA-N	246.394	4.807	0	10	BJAE	
C1=C(CCCc2ccc3c(c2)CCC3)CCCC1	2318573687	VHPMLPUMTSWFNE-UHFFFAOYSA-N	240.390	4.998	0	10	BJAE	
CC[C@](N)(CCCC1=CCCCC1)c1ccco1	2318579567	HXDQGKWXOYRJEA-INIZCTEOSA-N	247.382	4.514	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@H]1CC2CCC1CC2	2318879172	CBVMQZHYHZSXRE-BACDZXNISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@]2(N)CCCCC23CCC3)C1	2319031203	QOMMDBHYOYYWQZ-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1[C@@H](N)C[C@H]1C=CCCCC1	2320218433	XVABSMSMSPUROZ-JJXSEGSLSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC(=O)[C@@]1(C)C=CCCC1	2320220772	BRGXIYLKWLAEBN-KEYYUXOJSA-N	248.410	4.764	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC(C)=C(C)C1)C1CCCCC1	2320388856	UWPUMVOGXASFFJ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2C[C@H]2CC(C)C)CC1	2320411505	JXTCZBOASOEOBP-OAGGEKHMSA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CCCC(C)(C)C2)CC1	2320415246	YTPBJIBRKLZQMJ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)c1cccc(C2CCC2)c1	2320649858	GTOWKDJBVTXTBK-OGHNNQOOSA-N	245.410	4.636	0	10	BJAE	
CC1(C)CC[C@H](CC=C2CCN[C@@H]2C(C)(C)C)C1	2321637230	PZDJSEUJXRLCEY-ZFWWWQNUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@](N)(C2CCC2)C2CC2)C1	2321642690	QLBSQCBBKPOZCI-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
Cc1cc(Nc2ccccc2C)c2ccccc2n1	5337897	MRRAPQFAJQLHCW-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
COc1ccc2scc(-c3ccccc3)c2c1	6470488	ZEMWSYJRFGZGCR-UHFFFAOYSA-N	240.327	4.577	0	10	BJAE	
CCCC[C@@H](CC)CSc1ccccc1N	34321495	PDUWXIGRCDIOMJ-GFCCVEGCSA-N	237.412	4.577	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1CCCCCCC1	35257212	VLGHYWPZBWBZMP-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H](C)c1ccc(NC2CCCC2)cc1	36953374	PDMNGEASOQWHKO-GFCCVEGCSA-N	217.356	4.555	0	10	BJAE	
CC(C)(C)[C@H](NC1CCCCC1)c1ccccc1	36994659	DMLXQUQXLGKSMC-MRXNPFEDSA-N	245.410	4.696	0	10	BJAE	
CCCCC1(C2CCCCC2)CCC(=O)CC1	39953680	JYYNTVQDISVSHQ-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCCCC[C@@H](C(C)C)[C@H](C)NCCC	71084430	JXAKHIUWCNSEMF-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(F)c(C)c1	71106687	DEZMKZGKQHWKIC-LBPRGKRZSA-N	223.335	4.515	0	10	BJAE	
Fc1ccc(-c2cnc(C3CCCCC3)o2)cc1	75841529	MFNHSEHWOICUDS-UHFFFAOYSA-N	245.297	4.528	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)C1CCCCCC1	87947854	VQNJGPFAHSOLSW-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](NCC)C1CCC(C(C)C)CC1	87966031	VJYFKFMCBJFFQV-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC/C=C\C[C@H](C)c1ccc(C)cc1C	107530619	LNAWFJVVILLXDZ-FWWRYZNZSA-N	202.341	4.763	0	10	BJAE	
CCCc1ccc2nc(C)c(CC)c(Cl)c2c1	109692450	ZMYKWRBLNRAQFO-UHFFFAOYSA-N	247.769	4.712	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1)C1CCCCC1	109726578	JNKLIVKUXLMNMN-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C1CCC(C)CC1	109738023	HAHOLLGPCARJFF-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@H](CCC1CCCCC1)NC	162075069	SHGAGHGBVAOTBM-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(N[C@H]2CCC[C@@H]2CC)CC1	164065991	UFWQRCHNVIYJQM-GRAKBVBRSA-N	237.431	4.514	0	10	BJAE	
Cc1ccccc1[C@@H](O)C1(CC(C)C)CCCC1	166714906	PJYXYYUGBXHPIA-MRXNPFEDSA-N	246.394	4.635	0	10	BJAE	
Cc1cccc2[nH]c(C3CCCCCC3)cc12	216297630	QIFXYYFUDZFYGD-UHFFFAOYSA-N	227.351	4.914	0	10	BJAE	
Cc1cccc([C@@H](O)CCC2CCCCC2)c1C	229346168	RLNXGPICTXAHOO-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CCCN[C@H](C=C(C)C)C[C@H](C)CC(C)(C)C	229746082	GJGIGLFNQGXMJQ-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)c1ccc(C)s1	234432799	RCTLWQMRCXHBPG-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](c2c[nH]c3ccc(Cl)cc23)C1	235703678	ROYBLLOOLQGMLD-VHSXEESVSA-N	233.742	4.725	0	10	BJAE	
Clc1ccc(N[C@H]2C=CCCC2)c(Cl)c1	236063606	VTTUXYGAVMLTMO-JTQLQIEISA-N	242.149	4.514	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1C[C@@H](C)C[C@@H](C)C1	250560295	WKHUVENDABEXFU-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	253185784	IGJRIUUTKQFPFT-SOUVJXGZSA-N	236.399	4.742	0	10	BJAE	
CCCCCCC(=O)C(C1CCC1)C1CCC1	304542429	NRKSKWZBXYXRDN-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CC[C@](CN)(CCC2CCCCC2)C1	306009515	WOQMWOJUYDRKGK-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
N[C@@H](CCC1CCCCC1)CCC1CCCC1	310061567	SSJAWYNTOVRJQF-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC(CSc2ccc(N)cc2)CC1	310289173	YLPZOPQIGLAYGB-UHFFFAOYSA-N	249.423	4.577	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)C1(CCC)CC1	310789976	QPIZDGKQUMMSBW-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cccc(C)c1Cl	320259824	ZCXHYDGTDSPOKS-MWLCHTKSSA-N	238.758	4.513	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C2CCC2)C2CC2)CC1	324711703	WQYMNAVVGCIVTN-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC[C@@H](N)C1CCCC1)C1CCCCC1	380044799	SXEVHNPIHFIRDV-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCc1ccc(OCCCCCC(C)C)cc1	383288678	QMFTXESKNKQSSJ-UHFFFAOYSA-N	234.383	4.844	0	10	BJAE	
Cc1ccc(C)c(C2(C)CCCCC2)c1	383546867	NAEPXTOZKIHKIS-UHFFFAOYSA-N	202.341	4.525	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H]2CCC[C@@H](C)C2)C1	383978363	ZNPKOWROOURCHS-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1N[C@@H]1CC12CCCC2	386954051	XHWCXVGJAKKRCR-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)CCNCC1(CC(C)C)CCCC1	394429207	TUSPOHABZKUKHD-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(S)c2scc(C(F)F)c12	396251416	TWQIRHAWVDVZRO-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CC(C)(Nc1ccc2ccccc2c1)C1CCC1	398071683	AEVDKWQOMPHALE-UHFFFAOYSA-N	239.362	4.830	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C1CCCCCC1	400463453	MWMVJLPMMQTTQA-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CC=CCC2)CCCC[C@@H]1C	402266220	SWLMBLATSFMWCH-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](C)Nc1ccc2c(c1)CCCCC2	404622889	AUCGPSAAIIMPSY-CYBMUJFWSA-N	231.383	4.556	0	10	BJAE	
C[C@@H](c1ccccc1)N1[C@H]2CC[C@H]1c1ccccc12	569293855	XVYRDGBCNLQSPR-KKXDTOCCSA-N	249.357	4.639	0	10	BJAE	
Cc1cccc(NCC2(C(C)C)CCC2)c1C	687280059	LEHILZZZCKQDOJ-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CC(C)c1cccc(-c2ccc(N)cc2Cl)c1	688967274	LNHFGJHCUKQBGF-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H](C)CC1CCCC1	689793785	USHRWZXPAKSRSO-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)c1cccc(C(C)(C)C)c1	691648277	APHMAPYGKBAPHL-CZUORRHYSA-N	247.426	4.666	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1N[C@@H]1CCC12CCCCC2	693808549	WKBVDGZSUFOBBM-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2C[C@H]3CC[C@H](C2)C3)CC1	697983454	VDSBNMLZTMUFDE-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@@H]1C[C@H]1C(C)(C)C	699756741	KYEFBPDABUAPAC-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](N)(C[C@H](C)CC(C)C)C1CCCC1	704960509	YWLIWNSXSZZXPW-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC[C@@H](C)C1)C1CCC1	705364755	QLFRMYJDMFAQPX-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
C1=CC[C@H](CCNCCCC2CCCCC2)CC1	706866900	FZPDESAOLJXNMQ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@H](C)CC(C)(C)C)C1	709258409	JHIAZUORIINMNW-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC(C)(C)C(C)C)c1ccccc1C	713138357	CDYJITIHHPGNRH-MRXNPFEDSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)CC(C)(C)C(C)C	713271339	GHHDKMZMAICUDZ-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCNC[C@]1(CC(C)(C)CC)CC[C@@H](CC)C1	713337190	VGBIIFXQUJOVOP-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C1CCC2(CC1)CCC[C@@H]2NCCCCC1CC1	716370259	GJPVFNYZVBIYES-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCCC[C@H]1CCC(C)(C)C[C@@H]1NCCC	717462516	HVGAULZYUIBHKH-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CC(C)(C)CC[C@@H]1C	717507127	DWJHPVUGZFJDHI-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCC(=O)CCC(C)(C)C	719154759	JAAIQHDAXBTIAE-UHFFFAOYSA-N	210.361	4.518	0	10	BJAE	
c1csc([C@H]2CCCN2C2CCCCCC2)c1	1255891313	SMIWDDVOWKRGTC-CQSZACIVSA-N	249.423	4.608	0	10	BJAE	
C1=C(CSCCCCc2ccccc2)CCC1	1307331897	YXMBGTRHLKLROR-UHFFFAOYSA-N	246.419	4.853	0	10	BJAE	
C1CCC(CSC[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	1559364100	RYRPOKJYPMOGBW-ILXRZTDVSA-N	238.440	4.736	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNCC1(C)CCCCC1	1560491767	XUVCJAHAYNPSJC-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
FC(F)(F)c1cccc(SCC2CCC2)c1	1643395618	GYHHYLFHBDYILA-UHFFFAOYSA-N	246.297	4.598	0	10	BJAE	
CCc1cc(-c2ccc3ccccc3c2)ccc1O	1890650113	HFMYSHXMYOVGJA-UHFFFAOYSA-N	248.325	4.775	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@H](C)CC(C)(C)C	1900705782	WRPJFXXGYCHSMC-GXTWGEPZSA-N	228.420	4.636	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)CC1CCCCC1	1905389189	LFSMSKOFAXZYIF-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)C(C)(CC)CC	1908555417	OYDNSDVZAVSYJD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC=CCCc1cc(C(C)(C)C)ccc1C	1911863784	NVPUDLAFBCECRQ-UHFFFAOYSA-N	216.368	4.801	0	10	BJAE	
CC(=CCCNC1CC1)C[C@H](C)C1CCCCC1	1911905898	CERGOEIYYZZBQJ-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)C(=C[C@H](C)C1CCCCC1)CNC1CC1	1912068664	HLDGINMLLSTDAM-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC(=CCl)C[C@H]1CCCCCCCC[C@H]1O	1913397880	KNTUWZPDKFVWET-ZIAGYGMSSA-N	244.806	4.631	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCC2(CCCC2)C1	1916397934	NIFBKYGPBWZSJZ-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)CCC(C)(C)CNCC	1916471682	PYOKNISWNWVPAT-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CCCCCC[C@@](C)(O)c1ccccc1C(C)C	1919972742	IVKGKFBZFVTNPB-QGZVFWFLSA-N	248.410	4.988	0	10	BJAE	
CCCCCC[C@@](C)(N)c1c(C)csc1C	1920191847	VHFFZWIVSRSHAI-CQSZACIVSA-N	239.428	4.509	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)C1CCCCC1	1925925663	CEYQOCRBAMCBSZ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCCC[C@@H]1C(C)C	1926159712	NZRINVMJIRMSIT-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
Clc1ccc(C[C@H]2C=CCCC2)c(Cl)c1	1932605919	AKPXGGAMGOZSPL-JTQLQIEISA-N	241.161	4.892	0	10	BJAE	
CCC[C@H](C(=O)c1sc(C)cc1C)C(C)C	1936208698	HYWQNQOMCZVKFA-LBPRGKRZSA-N	238.396	4.620	0	10	BJAE	
CC(C)=CCCc1cccc(C2(C)CC2)c1	1936386396	ZBANJDNBKWIWSC-UHFFFAOYSA-N	214.352	4.637	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)[C@H](C)CC(C)C	1939031691	LTPCGKFQQKKVAJ-CABCVRRESA-N	226.404	4.556	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)CCC1(C)CC1	1940794427	CLGACBITEUBLJW-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C[C@](C)(F)c1ccc(N)cc1)C(C)(C)C	1940973285	JUXAJLQWANKHNM-NHYWBVRUSA-N	237.362	4.526	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC(C)C)[C@@H](C)C(C)C	1942652446	HMQBFTVAMYKWKG-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)[C@@H](C)CCC(C)C	1942654297	ZHPLJBFKSVOJRD-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC(C)(C(=O)CC1CCCCC1)C1CCCC1	1944634782	KYIFNVOPUMXKTC-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1cccc2sccc12	1945947415	LNRMZHWOMLLGHG-RISCZKNCSA-N	247.407	4.598	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C=CCCC1)C1CCCC1	1947564310	GAKOLJVNSIUHQW-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CC[C@](N)(CCC[C@@H]1CC1(C)C)C1CCCC1	1949051870	SBXHVQPSGCYTPO-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)C[C@@H](C)CCC1=C(C)C	1949087844	IDBJPNKIZXSPKM-XJKSGUPXSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)CC[C@H](O)CC1CC2(CCC2)C1	1949739477	DNQARFRGPRHHNH-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCCC(C)C)c(F)c1	1968327166	UENOZEOSIRWOHS-ZDUSSCGKSA-N	237.362	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1968859677	QLAOEKQSORDZGZ-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](NC(CC1CC1)CC1CC1)C1CCCC1	1970934635	SMVIBBQHZDMLDT-KRWDZBQOSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@H](CNc2cccc3ccsc23)C1	1971684784	HCEJHMPUYPSNJS-NWDGAFQWSA-N	245.391	4.749	0	10	BJAE	
CC1(c2cccc(N[C@@H]3CCCC3(C)C)c2)CC1	1973399399	ZXISQTPDWMWFIQ-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)c1sccc1C	1976010556	LUWAGVMUERDXIE-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)C(CC)(CC)CC	1978523142	DVPTURXJIZLXRP-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC)C1(C)CCCCCC1	1978585428	CZOPJFKRKHCXTH-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
C/C=C/CCCC(C)(C)C[C@H](C)NCCC	1984633237	UVPIDYIUDYHDRI-OWNNVSBGSA-N	225.420	4.537	0	10	BJAE	
CC1(C)CCC([C@](C)(N)CC2(C)CCC2)CC1	1996562620	WLZXHUXVVILHBT-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(C[C@H](C)C1CCC1)C1CCCCC1	1996570750	QFETYKSVUAVWSN-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]([C@H](C)CC)[C@@H]1CCC[C@H](CC)CC1	1997104585	KFYTUVHSNRGANV-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@]2(C)CCCC2(C)C)C1	1997342859	YBPZPVCYMFYHES-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)[C@@H]1CCCC(C)(C)C1	2000036644	BGOMVDJJQRWIFK-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC1([C@H](N)[C@H]2CCCC(C)(C)C2)CCCC1	2000143802	QPFZYIRPJBFMEW-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2000830312	QPCFGIXUEKUTCU-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](NC)[C@@H]1CCCCC12CCCCC2	2001579055	RXPHXWMDOCVOKA-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2CCCC(C)(C)CC2)C1	2002323120	WZUUIADTWFOEKN-ROKHWSDSSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCC(=O)C[C@]1(C)CCCC1(F)F	2002580533	SLTMOPMJTDJQFA-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@@H]1CCCC(C)(C)C1	2002992920	GRRUACDNGLMZPA-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCCCC[C@@H]1O	2003100159	PJSGJIAGSKJNDJ-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@@H]1C=CCCCC1	2003105705	JKUKDKPCDOXEDA-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@]2(C)C=CCCC2)C1	2003323777	GGOFZGHLIJSOKX-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
Cc1ccccc1C(=O)CCCC1CCCC1	2003657578	XWVSQHOMZCUYHS-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CCC=C(C)C)CC[C@@H]1C	2006950172	WYCIJCPIRJUMJN-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H]1CCC[C@@H]1C(C)C	2007623902	XVYBIQYMBAREEE-RRFJBIMHSA-N	238.415	4.700	0	10	BJAE	
CCC1(C[C@@H](N)C2(C)CCC(C)CC2)CCC1	2007693006	QSVCPONODLPDJN-SHARSMKWSA-N	237.431	4.501	0	10	BJAE	
CCC1CC(C[C@@H](N)C[C@@H](CC)C(C)(C)C)C1	2007745964	FRSHOKWDWIDLGA-NEXFUWMNSA-N	239.447	4.602	0	10	BJAE	
CCCCCC1CC(O)(C[C@H]2CCC[C@@H]2C)C1	2009717538	KPBFJWCFLPHKQZ-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
Cc1c(Cl)cccc1NCC[C@@]12CCC[C@H]1C2	2010994862	KCJGWPUPIUKDNN-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)C1CC2(CC2)C1	2012415668	DIJXZZZDBHYSHA-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC[C@](CCC1=CCCCC1)(CNC)C(C)C	2012417188	QVPSCTNRPNCTRI-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC[C@](O)(CCC(C)C)C1C[C@@H](C)C[C@H](C)C1	2013270083	FKRCWXSQLQFWCO-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@]1(N)CCC(C)(C)C1)C(C)C	2015346590	HNHFMUWSESQIDZ-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H](CC)CC(C)C)CCC1	2015640785	WIHYKLNAJYSWNE-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C1(CC(C)C)CC1	2015755109	NMRMMNPLNFLZSK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(=O)C[C@]12CCC[C@H]1C2)C(C)(C)C	2016447929	RVCLTXIJEKITHC-DVOMOZLQSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@H]2CCCS2)cc1	2016795631	HWNOXGIMIXXJNF-IUODEOHRSA-N	249.423	4.508	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CC2(C(C)(C)C)CCC2)C1	2017129833	TZPUTWTYBQYJLK-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C1(C(C)(C)C)CCC1	2017131249	MZYYXQPBSANFFO-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C(C)=C(C)C	2017484947	BSLPUHWKTROAJV-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](C)C[C@@H](C)C[C@H]1CC[C@H](CC)CC1	2017729958	BPQHWBCSUSWRJH-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@H]2CC[C@@H](C)CC2=O)CC1	2017777138	YXRRBUKYUJJPCH-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)C1CC(C2CCC2)C1	2018139723	UXDBQZAEILTALC-UYSNPLJNSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC(C)(C)C[C@H]2C)CC1	2018975493	PBPIPIRLQZAYJI-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@@H](C)CC(C)C	2018999601	LCFWAVMDZBDYNV-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CN)CCCCC(C)(F)F	2023291234	ZOGUDAHJQARJKC-CQSZACIVSA-N	249.389	4.747	0	10	BJAE	
CC=C(CC)[C@@H](CC[C@@H](C)CCCC)NCC	2026075224	TXEODWKSAJFXHS-GOEBONIOSA-N	239.447	4.927	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@@H]1CCCC12CC2	2027317139	QGFHTZMXKOZFCU-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc2c(c1)N[C@H](C(CC)(CC)CC)O2	2028020710	BEESGMWVNSJWNM-HNNXBMFYSA-N	247.382	4.596	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](NC)c1cc(C)c(C)cc1C	2028265357	RQUAFDVYVBCTTP-RDJZCZTQSA-N	247.426	4.555	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1C[C@@H]2CCC[C@@H]21	2028782975	QZEDYGFXQFBHSU-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2035552805	RQXGDCRRPLVRMC-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCC1)C(C)(C)C1CCCC1	2035601186	OJAROHBEWHSSFW-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C1(N)C[C@H]2CCCCC[C@@H]2C1	2035865566	UQHSSIQHZFPUQO-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(N[C@H]1CCC2(CCCC2)C1)C1CCCC1	2036770332	CXJJIIXZMOQUEA-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
C[C@H](C[C@]1(N)CCCC12CCCCC2)C1CCC1	2037160620	LUBSBRSVGMZFDU-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@]2(CNC(C)(C)C)C=CCC2)C1	2040182308	PDSBIUFSHGFPKN-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@H](C)C1CCC(C)CC1)c1ccco1	2040643102	BQRXUFOWEPWPTO-JYVUQVBGSA-N	249.398	4.535	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1cc2cc(C)ccc2o1	2040724250	TZMKFLNQTIKJFM-HNNXBMFYSA-N	245.366	4.567	0	10	BJAE	
C[C@H](Nc1ccc(C2CC2)cc1)C1CC(C)(C)C1	2043553898	PCXPTNLCUHKVBR-LBPRGKRZSA-N	243.394	4.801	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)C[C@H]1CCC=CCCC1	2045315198	RLKOOLPWHUBKQE-ARFHVFGLSA-N	248.410	4.764	0	10	BJAE	
CC(C)=CCCC1(N)CCC2(CCCCC2)CC1	2045658671	VLZHXTQPUZHORU-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CC[C@H](C)c1ccc(NCC2(CF)CCC2)cc1	2047710207	OEVLTAZBBUNWJT-ZDUSSCGKSA-N	249.373	4.752	0	10	BJAE	
C[C@@H](C[C@@]1(CN)CCC12CCC2)C1CCCCC1	2047938388	GACOFHFWMNUHPU-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1CC12CCCC2	2049642284	SHHOCOCCMSXYFW-HUUCEWRRSA-N	248.410	4.886	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CCCC3(CC3)C2)CCCC1	2049934291	VVDGTCZVHYZWQE-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC[C@H](NC1C2CCCC1CCC2)C1CCCC1	2050044748	SDQPFZDRGMLEJT-PYCMUAIMSA-N	249.442	4.514	0	10	BJAE	
CN(CC1CCCC1)C1CCC2(CCCC2)CC1	2051643460	RJFKKRZXNQHNMF-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@H]1CCCCC12CC2	2053411524	KLYAHIMANXXZKE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC=C1CCCCC1)c1ccccc1C	2056885928	FGCNNOHTQHYGDU-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC2CCC=CCC2)[C@H]1CC	2058727261	DIRABHVQARUCFV-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H]2CCCC[C@@H]2[C@H]1NCC	2059251841	CCQHVMBWDHKODW-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NC)c1ccc(C2CC2)cc1	2059262640	NSGZGMWENGGWCL-IDOMTICXSA-N	243.394	4.571	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCC23CCCC3)C1	2059397363	JTOQCGWTYNMISP-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@](N)(C1=CC[C@H](CC)CC1)C1CCCC1	2061112551	HBRQSNBLNHQKRC-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CC[C@]12CCC[C@@H]1C2	2061611781	ITMTWSJZKVTYOM-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)CC1CC(=C2CC2)C1	2061741049	GPPCXXYFHBBBDI-CYBMUJFWSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)CC1CC2(C1)CC(C)(C)C2	2063209005	RJJDDTIPVGJTIA-OCCSQVGLSA-N	248.410	4.598	0	10	BJAE	
NC1(C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCCCC1	2068770752	QOCJPALMESDSKI-PHZGNYQRSA-N	249.442	4.645	0	10	BJAE	
CCCC1(CCC(=O)c2ccc(C)cc2)CCC1	2069280143	GZLKJYJTYYYAGC-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
CCCC1(CC2CCC3(CC2)C[C@H]3CN)CCC1	2069343380	ZDACPRARGOLOEU-CKDBGZEDSA-N	249.442	4.502	0	10	BJAE	
CCCC1(CC2(CN)CCC3(CC3)CC2)CCC1	2069344979	PWMYUVVBJMNYKP-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
CC(C)(C)C1(CN[C@@H]2CC23CCCCC3)CCC1	2071945608	IJYONYQLTJXMGB-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@]1(C)CCCC(C)(C)C1)c1ccccc1	2072617254	NBIHUDAKRXBZOP-YOEHRIQHSA-N	245.410	4.696	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@H]2CC23CCCCC3)CC1	2072803595	JUTCILIRTGXGGQ-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC=C[C@@](N)(C[C@H]2CC[C@H](CC)CC2)C1	2072821958	PUYPCPPPDJWANQ-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C[C@@]12CCCC[C@@H]1C2)C1(CC)CCC1	2074024437	IHOJPSUPFYQEQF-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@]12CCC[C@@H]1C2	2074645811	GFCZZXQNJIBZNV-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)CN(C)Cc1ccccc1C	2074785643	XCXICWIBMZJRHF-UHFFFAOYSA-N	247.426	4.643	0	10	BJAE	
O[C@]1(CCC2=CCCCC2)CCCC[C@@H]1C1CC1	2075711538	ZDNUNGGNVMISDU-SJORKVTESA-N	248.410	4.598	0	10	BJAE	
c1ccc(C2CC2)c(NC[C@]23CCCC[C@H]2C3)c1	2077263255	OVZHPVZOLSZBDX-WMLDXEAASA-N	241.378	4.556	0	10	BJAE	
C[C@H](CC1CCCC1)Nc1ccccc1C1CC1	2077264458	SIFCMHVDQAQNAK-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H]1C[C@H]1C1CC1	2079300962	YXCVNHCCNXBOBY-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C[C@H]1C1CCC1	2079423020	FCEKHXZBFNYDBA-IXDOHACOSA-N	249.442	4.514	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1C[C@H]1c1ccccc1	2079551954	BJILXFIVGVPHBK-HOTGVXAUSA-N	246.394	4.512	0	10	BJAE	
CC(=C[C@@H]1C[C@H]1C1CCCCC1)CNC(C)(C)C	2079662176	TXGBSDJPUJRRHX-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H]1CCC=CCCC1	2081780008	OGGUIOOMCPPVPF-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
C=C=CC[C@@H](C[C@H]1CCCC(C)(C)C1)NCCC	2082974601	AUVIHHYNZNTCAF-CVEARBPZSA-N	249.442	4.692	0	10	BJAE	
CCCOc1cccc2c(C3CCCC3)coc12	2086722792	FZKVXZKBNYYKOY-UHFFFAOYSA-N	244.334	4.879	0	10	BJAE	
CC[C@@](O)(CCCCCCC1CC1)C(C)C	2210528065	ZQRGQBYPKNRGRN-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@](C)(N)CC[C@H]1C[C@@H]1CC	2211568155	YLYVDMYCWYZMTO-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCC1(C)CC(NCCCCCCC2CC2)C1	2213573937	NBDQTRGQQLUWQM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCCCC2CC2)CC1	2214564839	YFJAYAMCMAHVAU-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)CCC1CCCCC1	2215340881	KLWDTLQHSLASAF-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CC1(C)CC(C)(C)C1	2215466989	PXMBYQBGOPEWTD-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](NCCCCCCCC1CC1)C1CCC1	2216884655	XLYYYBIMXGDGHW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CCCC12CC2	2217240578	GUCSGNCGRDOPFJ-AWEZNQCLSA-N	249.785	4.647	0	10	BJAE	
C[C@](N)(C[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218362185	UVPPXLJZYCIQAE-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C12CCC(CC1)C2	2218719019	UKZUUGRPYHFQFS-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
C(CCCN1CC[C@H]1CC1CCC1)CCC1CC1	2218733438	VMPXOJACWGPDIC-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
C[C@@]1([C@@H](N)CCCCCCC2CC2)C=CCCC1	2218735889	SKOQYGHWSQIJOB-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
COC[C@H]1CC[C@@H](CCC=Cc2ccccc2)C1	2219069744	LFIBXTHHQWPTFU-SJORKVTESA-N	244.378	4.543	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)[C@@H](C)c1ccc(C)cc1	2223970159	VSKBVYWVSKQABP-HOCLYGCPSA-N	247.426	4.513	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)c1cccc2ccoc12	2224182319	VJWWHJLZFGCUJH-AWEZNQCLSA-N	245.366	4.505	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1CCCCC12CC2	2246600588	BCSFVYVCQOENAN-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C[C@@H]2CC2(C)C)C1	2246663611	FYQDWUDQMYUKRB-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@](C)(O)CC[C@@H]1CCC[C@@H](C)C1	2246692212	KBGHGPFVWQWEKY-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@](C)(O)CCC2CC2)C1	2246695903	VSJFEFZVMGPPDC-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC[C@H]1CCCC12CC2	2247624731	ZSJUPTWALOKBLO-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](C)NCC(C)(C(C)C)C(C)C	2248387798	YKIPYNXUGUXNEC-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CC)CCCCCC[C@H]1C[C@@H]1C	2248805620	BOEPPJGPGWBROD-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](C)NCCCCC[C@@H]1C[C@H]1C	2248865919	MKQCZRUQEKEMAH-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1(C(C)(F)F)CCC1	2250361097	JQBANBJIWBUFFI-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)[C@@H]1CC1(C)C	2250478226	GKZZIUZYBBUTMJ-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CC[C@@H]1NCC[C@@H](C)CCCC(C)C	2250514601	QSPZDQWETWTZIS-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)N(C)CC[C@@H](C)CCCC(C)C	2250517955	GJYODNBQCQENRX-HNNXBMFYSA-N	241.463	4.959	0	10	BJAE	
CCCCCC[C@H](NCC)[C@]12CCC[C@H]1CC2	2251103964	KISGYHOHYHDYDK-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C(=O)C[C@@]23CCCC[C@@H]2CC3)cs1	2251157547	IWRXQCDTJLYRJM-HIFRSBDPSA-N	248.391	4.600	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)c1ccc2ccsc2c1	2253082389	PNCVDIPJMHMHOB-JQWIXIFHSA-N	244.359	4.520	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(CN)CCCC23CC3)C1	2253911769	VIQRIDQNJQUZDP-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CC1CC2(C1)CC([C@@](C)(N)C1(C)CCCCC1)C2	2254457048	ZVRYXGOLLHXPMN-DZTUWMGKSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C[C@H]1CCC12CCC2)C1CCCCCCC1	2254850525	VMYKNAZHAZBSBW-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@@H]2CCC23CCC3)C1	2255008990	NAQXAFRKMQRYKV-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1=CCCCC1)[C@H]1C[C@@H]1C1CCCCC1	2255138348	ZSGVURAMUISOPN-CVEARBPZSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CCCC23CC3)c(C)c1	2255311077	PUWQEHWPLIQOTQ-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1c(F)cccc1CC	2256140207	SOJWNNBZIGUYKZ-DZGCQCFKSA-N	249.373	4.769	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCC[C@@H]1C(C)C	2256145075	UIGZWPOWBSNPLY-HIFRSBDPSA-N	249.373	4.625	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C1C[C@@H]2CC[C@H]2C1	2257249611	WTIFNYFQLFMIMV-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)C[C@@H]2CCC[C@@H]2C1	2257317667	YWVKCZNGJHIQJE-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
O[C@H](C1=CCCCCCC1)[C@@]12CCCC[C@H]1CC2	2260517175	AHMFISPEYNOWML-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2260577675	HCWLZCIBURSCBW-DYVFJYSZSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@]23CCCC[C@H]2CC3)C1	2260605696	PODFRBVAUNYERE-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@]23CCC[C@@H]2CC3)CC1	2260667162	BXVJXEUEAAAIBH-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(C=C2CCCCC2)C1	2261381782	MKKNRWJOWUZLDF-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC1CC(CC[C@@H](N)CC2CCC3(CC2)CC3)C1	2261492204	YQZQUQBVGWKANI-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C[C@H]1CCC[C@@H](CC)N1	2300184673	JHNMJFOHGIXRRN-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CCC(CC)CC)NC	2300676021	KJMUFQKBLPKPFL-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H]1C[C@@H](CCC(CC)CC)C[C@@H](C)C1	2300689526	YXXLXIMTHOBRDI-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)C[C@@H]1C[C@H]1C	2300702904	ZEGABERNVXWITF-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@H](O)[C@@]1(C)CC[C@H](C)C1(C)C	2300872391	PHPYUGSKCNLVBC-OFQRWUPVSA-N	238.415	4.556	0	10	BJAE	
CC(=CC[C@@](C)(CO)C1CC1)CCCC(C)C	2300895574	ZBJJROTYJYPRSW-INIZCTEOSA-N	238.415	4.558	0	10	BJAE	
CN(CC1CCC=CCC1)c1ccccc1Cl	2301366469	FPNUUZPKGHGGQU-UHFFFAOYSA-N	249.785	4.523	0	10	BJAE	
CC(C)[C@@H](C)[C@](C)(O)CC1CCC(C)(C)CC1	2301902964	PVCXOXBPKQZNSW-CZUORRHYSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCC[C@H](O)CCC[C@H]1C[C@@H]1C	2302609321	QALZOFSJGNPJHR-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@H]3C[C@@H]32)c(Cl)c1	2302835918	IOGWYGLJBIFTLC-SGMGOOAPSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303513290	ZJUHZZHIBJBLJW-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@](N)(CCC2CCCCC2)CC1	2303578063	AUALUJVQPSBNJJ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](C)CCNC(C)C)CC1	2303581019	ZIECROAXRJDNHR-BBRMVZONSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H](C)CCC(C)(C)C)CC1	2303597559	RKAXQPKUQOTXMD-GJZGRUSLSA-N	237.431	4.680	0	10	BJAE	
CC(C)=C(C)CNc1cccc(C(C)C)c1F	2307559933	VVNZHXCNGFEUAZ-UHFFFAOYSA-N	235.346	4.717	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccc(CC)cc1	2307749217	HZUMHAFRRAFVCC-CQSZACIVSA-N	232.367	4.648	0	10	BJAE	
CCC[C@@H](CC)CCC[C@@H](O)c1ccccc1	2307901045	HIKQHZUMVNHMHF-GDBMZVCRSA-N	234.383	4.717	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](O)CC2(CCC2)C1	2307901705	IXAPZZXCOBSHSC-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC(C)(C)CC[C@@H]1NC	2307901723	IYOFNULDZOYWJQ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC1CC1)CC[C@@]12CCC[C@@H]1C2	2310381103	BFUUQNPTNOLCLY-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCC[C@@H]1C[C@H]1C)c1ccccc1	2310428749	ROEDIKOLRKHWJN-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311608959	GAHAGMQEZSGOBI-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](N)[C@@]12CCCC[C@@H]1CCC2	2313687318	WDSOQJBVHPRKST-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(N[C@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316882482	ZKGGOPBKGHMGKJ-ZOBUZTSGSA-N	249.442	4.658	0	10	BJAE	
CNC[C@@]1(CC2CCCCCC2)CC12CCCC2	2317010676	QJQWPXSBMZPXOX-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317123000	ZYAJMJGWHRPLAY-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CN(CCCC1=CCCCC1)[C@@H]1CCC(C)(C)C1	2318581677	ZHQQOHXLDLWZMV-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCC1([C@H](N)CCCC2=CCCCC2)CCCC1	2318590240	ZGYLXQFFHLKABY-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)(C)C1)C1(C)CC=CC1	2319028171	APCQVIFHWNDZJA-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC[C@H]1CC[C@@H]1C1CC1	2319741092	ZTNHPJISPKMCSK-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CC[C@H]2C(C)(C)C)cc1C	2320139479	QBENYCWSEPWTPE-HUUCEWRRSA-N	244.378	4.558	0	10	BJAE	
Cc1cc(C)cc(NC[C@H]2CC[C@@H]2C(C)(C)C)c1	2320320400	NUPPDNLQCRZNER-ZBFHGGJFSA-N	245.410	4.788	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@H]2CCC(C)=C(C)C2)C1	2320387638	IQPGPNQOFPRJFB-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1cccc(C2CCC2)c1	2320655979	XHJMSARIDSLQBP-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CC1(C)CC[C@H](CCNC[C@]2(C)CC=CCC2)C1	2321614511	WAQUCVNHOXZQQR-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC(C)CC12CC(C(=O)C3CCCCCC3)(C1)C2	2321639033	HJBRHSODMRKCHP-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CNC[C@]1([C@H]2CCC[C@@H](C)C2)CCC(C)=C(C)C1	2326704422	MSMPIPGKGAKQIB-COXVUDFISA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CC[C@@H](C)C(=O)C2)c1	2327780137	AMUGTKJDQAGXCH-ZIAGYGMSSA-N	244.378	4.591	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC3CC2C3)c1F	2327803330	ABCWLFLAVQISNT-YIZWMMSDSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](CC)CC[C@H](NC)c1ccc(C)cc1	2328291350	HQKCMUTZVHUTKJ-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@H](NCCC)c1ccc(Cl)cc1	35575166	FUZZXYMRBGDNHP-AWEZNQCLSA-N	239.790	4.571	0	10	BJAE	
CC[C@H](Nc1ccc(F)c(C)c1)c1cccs1	61117755	NAKPEAZQHMVNFN-ZDUSSCGKSA-N	249.354	4.759	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCC[C@@H]1CC	68986493	CCUYJIMNPWGLPC-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CCC[C@H](C)C(=O)c1cc(C)c(Cl)cc1C	70023514	RVCAOOHCZUTBOJ-VIFPVBQESA-N	238.758	4.576	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccccc2Cl)C1	70562223	DKDVJJKODQPRKR-VXGBXAGGSA-N	237.774	4.721	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1cccc(C)c1C	70977687	CXINPBPWRCMXGL-GOEBONIOSA-N	231.383	4.684	0	10	BJAE	
CCCCCC[C@@H](CNC(C)(C)C)C(C)C	71127170	LOKDMJQJJMYVAS-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCCC(C)(C)C1	79976929	FWHCMLRPPWXKIJ-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CCC[C@H](C)C[C@]1(CCC)CCCCCN1	85876254	XLWJQTVWIIWLPR-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCCC1(C)C	86855673	OJRHTVOXHADRSB-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
CC(C)(C)C1CCC(O)(CC2CCCC2)CC1	87163997	NYTYSOPABDKNCO-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]1Nc1cccc2c1CCCC2	94303008	CESNEHKVFSNWDL-INIZCTEOSA-N	243.394	4.556	0	10	BJAE	
CC(C)CC1([C@H](N)C2=CCCCCC2)CCCC1	94900981	GHLKOCHVCXLHDO-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCC[C@H]1C	109900243	IVFJROHIKHYTGX-IUODEOHRSA-N	231.383	4.548	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@H](N)CC[C@H]2C	136911019	REBWOPMSCJCNBZ-MLGOLLRUSA-N	245.410	4.831	0	10	BJAE	
Cc1ccc2oc(C(=O)CCCC(C)C)cc2c1	139775640	VCYWXYVTXQTOOF-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
CC(C)CC[C@H]1CCCCC[C@@H]1CNC(C)C	155818028	RHLJPZSIIFKFGN-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C1CCCCCCC1	159048555	QTUPJSVMRMRVKG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccc([C@@H]2CC(=O)C2(CC)CC)cc1	161726565	LYFBCEAUTQPNHQ-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
CCCc1cccc(C(=O)C2CCC(C)CC2)c1	165529749	RQTJAPNXOYPHGB-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@H]1CCCCC1(C)C	226833448	QIZCBSWYHMHQPG-HUUCEWRRSA-N	249.398	4.537	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H](C2CCCCCC2)C1	227560868	FSEXUIHIGOAPFO-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@H](C)C(C)(C)C)C1	229478377	ZZUULIJJYXRGMW-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](CC)CCC	232926550	HGRZCSNKRNQCSH-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](C)Oc1ccc(C(C)(C)C)cc1	233341215	FPJODILOYAZVLW-LBPRGKRZSA-N	220.356	4.552	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](CCCC(C)C)NC)C1	251580108	JLKCWCHALZRFGX-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CNCC/C=C/CCC1CCCCC1	302253092	LKEOTSLIJJYGFH-ONEGZZNKSA-N	237.431	4.539	0	10	BJAE	
CC(C)Cc1cccc([C@@H](O)[C@@H](C)C(C)(C)C)c1	306058114	VPNHIWNNMJSIRW-CJNGLKHVSA-N	248.410	4.601	0	10	BJAE	
CC1(C)CCC([C@H](O)CC2(C)CCCC2)CC1	310429602	SKNSZEZHPLXVPF-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccccc1NC(C(C)C)C(C)C	310486752	GRCUYSQWOCXQSO-UHFFFAOYSA-N	233.399	4.732	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)CC1CCC(C)CC1	310543165	UEDDDZZAZYSGGQ-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@](C)(O)c1cccc(CC(C)C)c1	310684125	KXMPNWALXBDPEX-QGZVFWFLSA-N	248.410	4.529	0	10	BJAE	
CC(C)CCCCN[C@H]1C[C@@H](C)c2ccccc21	311002640	YDKWJSIJOMWANS-PBHICJAKSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)c1ccccc1C	311023837	ZRBLCQCHVSGKCQ-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCc1ccccc1OC[C@@H](C)C1CCCCC1	311228838	SDABKJUWEDHPON-CQSZACIVSA-N	246.394	4.844	0	10	BJAE	
CCCCCC1(CNCCC)CCCCCC1	318633741	QSQUUKITPFLFMW-UHFFFAOYSA-N	239.447	4.907	0	10	BJAE	
CC[C@H](C)C[C@H](O)c1ccc2ccccc2c1C	384370205	HWUICWSDTVDEFA-SJCJKPOMSA-N	242.362	4.618	0	10	BJAE	
CCCc1ccccc1[C@@H](CCC(C)C)NCC	384697107	YFRXLJYMQOVPQD-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C(C(C)C)C(C)C)cc1C	385315354	FJBCLXIJMFIHIU-QGZVFWFLSA-N	248.410	4.573	0	10	BJAE	
CC(C)CC(C)(C)CN[C@H]1CCCCC1(C)C	391219640	VEMJWQXGDOKJQG-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C)[C@@H](CC)CCCCCC(C)C	394763174	OEUDUPXBNHDSRD-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1ccc(C)c(C)c1	395118742	IQEYJPQWCKTELH-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CCOc1c(Cl)ccc2cc(CC)sc12	396197221	YQZZLCLMGONCLS-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CC(C)=CCCN[C@H]1CC[C@@H](C)c2ccccc21	397696471	FPAFWOBFQMLUNE-PBHICJAKSA-N	243.394	4.571	0	10	BJAE	
CC(C)CCC[C@]1(O)CCCCC[C@@H]1C(C)C	691129284	ULNKEXLAIJOLJB-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCC1(CNC(C)(C)C)CC(C)C1	691412336	FPHNETKRXUILIK-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCC2(CC2)C1	695683931	QPMIGEPIOMBSTF-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@H]1CCCC2(CC2)C1	695984811	NHXPGUHPWHUNSD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)[C@H]1CCCC1(C)C	696558695	DUPHCKDQSJGLDK-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](NC)[C@@H](CCC(C)(C)CC)C1	696798286	AOOCGEPIZNCACU-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC(C)(C)C(C)(F)F)NC(C)C	697133674	FHWZBAIHKIPWNG-GFCCVEGCSA-N	249.389	4.615	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCC[C@@]1(C)O	699689402	ARLMDTZURFHMAX-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCC[C@H](CC(C)C)C1	701047321	FPAQWSGMRLSCLQ-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1cccc(C(C)C)c1	701513629	ZHWVHQFIBDTTTM-YOEHRIQHSA-N	248.410	4.916	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)c1cocc1C	705208845	SUPCMHBAGIYWLB-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@](C)(O)CC(C)(C)C	709125478	NORKXSTXVVVIFY-WFASDCNBSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H](C)CC(C)(C)C)C1	709142709	KAQYQENBEVTUCC-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CCC[C@@H](C)CC(C)(C)C)C(C)(C)C	709189518	PIHNTMRNRYKCOT-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1csc(C)c1	710753964	CHZMUAYMMSLDMP-OLZOCXBDSA-N	237.412	4.685	0	10	BJAE	
CC[C@H](C[C@H](CC1CCCC1)NC)C(C)(C)C	711097325	ROXNBFAZJDEPQY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@H](N)CCCC2CCC2)c(C)c1	711168658	JDJOZOCFQOUNPK-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
C[C@H](CC(=O)C(C)(C)C(C)(C)C)C(C)(C)C	711197725	IRHGWFMPISHZOX-LLVKDONJSA-N	226.404	4.700	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H]1CCCC12CCCC2	712533250	GFVNGHMVRFLGQT-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H](C)C(C)(C)C	713242478	ZLEGAZAVQHWBKR-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC(=O)c1cccc(Cl)c1C	713324989	DRCZECHVOKKUBH-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
c1cc(-c2cccc3c2NCC3)cc(C2CCC2)c1	713463589	JFFNCDKETWNEFS-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CCC1(CN[C@@H]2CCC[C@H]3CCCC[C@@H]32)CCC1	714260925	YOURCEWEFLNUJH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1c2ccccc2[C@H](CCC)[C@H]1CC	714356417	MICSYRJALQIQHX-CPUCHLNUSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@](N)(CC)CC1CCCCC1	720402548	RRGZKSKOMINWKP-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)N[C@H](CC)CC1CCCCC1	720941241	VOQQVWWHLJQFTC-GDBMZVCRSA-N	239.447	4.904	0	10	BJAE	
Cc1ccc(-c2ccc(Cl)c(F)c2)cc1F	722409146	LGUUUZQEGKJFPN-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CCC[C@H](C)N(C)[C@@H](C)c1ccc(Cl)cc1	1257323561	AEZIAPJPODTOHC-RYUDHWBXSA-N	239.790	4.521	0	10	BJAE	
C/C(=C/Cl)CS[C@H]1C=CCCCCC1	1613734529	LRXBAVGCGCNLHO-DQAFTJGPSA-N	230.804	4.751	0	10	BJAE	
FC(=C(Cl)Cl)c1cc2ccccc2s1	1615164771	KLLYOVPICLSMIT-UHFFFAOYSA-N	247.121	4.975	0	10	BJAE	
CC(C)[C@H](C)S[C@H](C)c1cccc(F)c1	1643739027	BEFMCSYLFFGVGY-WDEREUQCSA-N	226.360	4.664	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CCCCCC(C)C	1896794472	XMIRZLYEGMQEMS-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CCC(=O)[C@@]1(C)CC=CCC1	1900708819	DDPLRQHSQYPNLM-HNNXBMFYSA-N	222.372	4.518	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H]1C[C@H]1CCC	1910655127	XQYRPXWVJUUILH-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C1CC2(CCCC2)C1	1912644072	DFGFWMCGIDDIOR-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC[C@@](O)(C[C@@H](C)C(C)(C)C)c1ccc(C)cc1	1919871902	KODHZFDFOLAGRJ-RHSMWYFYSA-N	248.410	4.665	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H](C)C1CCCC1	1924107574	HIPLERZGGINITD-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)C[C@H](C[C@@H]1CCC[C@@H](C)C1)NC	1926373058	YTKCXKVOIBXAAL-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(CCC(C)=C(C)C)s1	1929027386	YWRRZDDZMFHMNX-UHFFFAOYSA-N	208.370	4.599	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CCCC1(C)CC1	1935940138	OAOTUBRWQVKHEA-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](O)CCC1CCCC1	1940880445	AGEHIRUIFKBIBA-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@@H](C)c2ccc(N)cc2)CC1	1940966710	LRSNGFDLXHLUTN-IYXRBSQSSA-N	231.383	4.589	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CCCC1(C)CC1)NC	1941261531	SMDCVUFBSMKEJX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](CNC(C)C)C(C)(C)C	1942655078	GEBBHDDVLHEIBF-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC[C@H]1CCC(C)(C)C1	1945590899	HVGFRWYNLOCZHY-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC1(O)CC(C2CCCCC2)C1	1945960476	WAPJVWMFCYNXAZ-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCC(C)(F)F)NCCC	1947989124	VNESIDCJCQSUMZ-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C[C@H]1CCC[C@H](C)C1	1948333854	VKGKHEPLPKAYJX-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CCC(C)(C)C(F)(F)CC)NC	1948436072	RIFJCJXNMBXFIY-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)[C@H](C)CCC(C)C	1949082074	ZYOIUVYINASLHP-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)CCC(=O)CC1CCCCC1	1949908548	ZVIXODOAFZFELB-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)NC[C@H](C)C1CCCCC1	1963229847	UXHSVJAKQUVBFR-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](NC1CC(C2CCCCC2)C1)C1CCC1	1967793936	HTNXKYBDQGBPGT-JCYILVPMSA-N	249.442	4.514	0	10	BJAE	
CC(C)Sc1ccccc1N[C@@H]1CC[C@H](C)C1	1970344705	UPVGKQNLONZFMJ-QWHCGFSZSA-N	249.423	4.788	0	10	BJAE	
CCCCC1CC(N[C@@H](C)C2CC3(CCC3)C2)C1	1974008492	IGXPKMLNQWKZQR-HLIUYOAVSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)C(CC)(CC)CC	1978562509	GTLDKCUULSNPPW-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCC(=O)c1cccc(Cl)c1	1980685441	RLEXNLVOBFCTLU-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](CCC(C)=C(C)C)C1	1982563946	DTCGAKBRRCGVEH-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CC[C@H](C)C1	1990094054	RETBGAKRUTZEST-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC1(CCC)CC1	1990618114	JZNVBRXAVKPLPG-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)CCCC(C)(C)C	1990839009	NSWYMWIFHNETSX-ZDUSSCGKSA-N	227.436	4.569	0	10	BJAE	
CCC/C=C/CNc1cccc(C2CCC2)c1	1995867431	OYTFAIKJNAQAIF-SNAWJCMRSA-N	229.367	4.722	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H](C)C1(C)CCCCC1	1995990406	HDXLVKKYHZAWSZ-CABCVRRESA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@H]1CC[C@H](C)C1	1996261391	VTCJWGYBKQWXHD-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)Nc1ccccc1SC1CC1	1996548090	JCLMUQNNQMOJFH-LBPRGKRZSA-N	249.423	4.932	0	10	BJAE	
CCCSc1ccccc1N[C@@H](C)C1CCC1	1996563534	GMRGUUJTOHAEOZ-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)[C@H]1CCC[C@@H](CC)CC1	1997102119	CLXOIKNRJAGHHV-CQJMVSDSSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)CC2CCCC2)C1	2000055017	CELNPBGTMYZFPK-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@@H]2CCCC(C)(C)C2)C(=O)C1	2000097999	YAKGROWPFLYAMM-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)[C@H]1CCCC(C)(C)C1	2000144634	YUUUJWLYTAIQEZ-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)C1CCC(C)CC1	2000515863	UAAKHWKTEGIWHJ-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@@H]1CCC(C)(C)C1	2000907250	VNKVNTZPBFUKGD-OAHLLOKOSA-N	239.447	4.712	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)[C@@H]1CCCC(C)(C)C1	2002971359	BTZRTPJZRDTMHH-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCC(F)(F)CCC(=O)[C@@H]1CCCC(C)(C)C1	2002993595	MCEYMYWXPQDJFB-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
C[C@H]1CCCC[C@H]1C1(N)CCCCCCCC1	2003094100	BKVALQAQFHBQIY-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCC[C@H]2CC[C@@H]21	2004796861	DZFFORFKUZQUNK-CORIIIEPSA-N	249.785	4.639	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CCC(C)=C(C)C)[C@H]1C	2006980269	OHPCXUIECMCLEZ-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC1CCC(C)([C@H](O)CC2(C)CCCC2)CC1	2007695623	KDYDRIUQJNEVMH-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CC=C(C)[C@H](NCCC)C1CCCCCCC1	2007861449	OJEHYCWJGFERQF-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](C=C1CCCC1)NC	2007941835	FHZPZJCQLYVOAQ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC1(CC)CC(O)(CCCCCC2CC2)C1	2009299729	RMYHFQMYXOVJOY-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
C=C=CCC[C@@](C)(CCCC)CNC(C)(C)C	2010984507	FJRPUSQITJLFQU-MRXNPFEDSA-N	237.431	4.692	0	10	BJAE	
CC[C@](O)(CCC(C)C)[C@@H]1CC[C@H](C)[C@@H](C)C1	2013270008	DRYMCUMZTXAVAH-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C)CN[C@H](C)C1CCC(CC)CC1	2013475492	KEZBUPDNOHEHJP-WXLSXGNJSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC(C(C)C)C(C)C)CC(C)(C)C	2015290328	JBAYJIMSOPNAHM-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC[C@]1(O)CCC[C@H](C)C1)C(C)C	2015335659	MQOXCBPVVXZEEM-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1(CC2CC2)CC1	2015744557	WQHFOYDFFDTRSD-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCc1ccccc1NC[C@@H](CC)C(C)C	2016107871	ZPVOQBWJYDBSAM-CQSZACIVSA-N	233.399	4.733	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@@H]1C[C@@H]1CC	2016849558	XIZPFRUVOCYEGN-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC(C)(C)NCC1(C(C)(C)C)CCC1	2017141339	OJAVNRSOOWZVGN-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNC)CC1(CCC)CC1	2018981470	CLLKHDVXJUHYJJ-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CC(C)CCCN(C)[C@H](C)[C@H]1CCC[C@@H](C)C1	2019300541	USJHUEAXSNFOJT-OAGGEKHMSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2022418033	SKIXQYZGFUNAKT-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(=O)CC[C@@H]1C[C@@H]1C1CCCCCC1	2022555549	YGMJCSCBZSCHFW-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2022989359	BEMXQBLVXKUIQH-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1CCCC(C)(C)C1	2024128900	QKQUIERWSLWPOL-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CC[C@@H](NC(CC(C)C)CC(C)C)C1	2025587966	SMDWPSREZZMPET-LSDHHAIUSA-N	239.447	4.616	0	10	BJAE	
CC1(C=C2CCc3cc(N)ccc32)CCCCC1	2027310867	FPLBVSILFDSFPZ-UHFFFAOYSA-N	241.378	4.569	0	10	BJAE	
CCCC[C@@H](Cc1ccccc1C(C)C)NCC	2027467953	XRBQHYPYZRHDEE-INIZCTEOSA-N	247.426	4.521	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1ccccc1C(C)C	2027516870	AAXUPAUPYKDRCE-QGZVFWFLSA-N	246.394	4.980	0	10	BJAE	
C[C@@H]1C[C@H](CCCC2(C)CC2)c2ccccc2N1	2027836359	JFIWMXSZXWQGNG-KGLIPLIRSA-N	243.394	4.945	0	10	BJAE	
CC[C@@H](C(=O)c1c(C)c(C)cc(C)c1C)C(C)C	2028253508	XLIWORNECGTMIY-OAHLLOKOSA-N	246.394	4.785	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1ccccc1CC(C)C	2028931090	RMXWMZKOVUCVJG-VBQJREDUSA-N	248.410	4.601	0	10	BJAE	
CCCCC[C@@H](N)c1ccc(C2CCCC2)cc1	2031746179	PAQDHEJFGWAAGD-QGZVFWFLSA-N	245.410	4.924	0	10	BJAE	
CC(C)=C(C)CCN1CC[C@H]1C1CCCCCC1	2031755344	UIDMNQAVTMFWBQ-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CCCNC[C@@]1(CC2=CCCC2)CCCC1(C)C	2032104998	HHBNVTYHGCKHFX-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C(C)(C)C(C)C)cc1	2032347655	ZGAIHQLEHZXLLP-BBRMVZONSA-N	247.426	4.882	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C[C@@H]1CC1(C)C	2032422710	BDAXATWHGWHVAV-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCc1occ(C)c1C(=O)[C@H]1CCC[C@@H](CC)C1	2035538061	LJCHUGZMXWESDK-OLZOCXBDSA-N	248.366	4.550	0	10	BJAE	
Oc1ccc(NC2CCCCCCCCC2)cc1	2035893018	XQJVGSYABDMOFB-UHFFFAOYSA-N	247.382	4.697	0	10	BJAE	
CCCNCC1(CCC2CCCC2)CC2(CC2)C1	2036191487	SOLVYBBCNHQGEL-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1	2036320306	LPFRAOVPBCIIJR-NWANDNLSSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C[C@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2036661834	SEYMWKVHVUILCZ-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2036662714	YHZXIZDMZZKJFQ-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)C[C@@](C)(N)c1c(C)cc(C)cc1C	2037093778	QUOAEGBKESLNHO-QGZVFWFLSA-N	247.426	4.612	0	10	BJAE	
CCN[C@@H](CC1CCC1)[C@@H]1CCC2(CCCC2)C1	2037579590	JPXHFNUKGSDWMA-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1C[C@@H]2CCC[C@@H]2C1	2038620996	CQYSCCIEZBSQKN-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CC[C@H](C)C2)CC=CCC1	2040170831	AAIUQDLTXOVJHS-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@]1(C)CN[C@@H]1CCCC2(CCCCC2)C1	2040765319	OSGXHQXYEDUTOX-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@]2(N)CCCC3(CCC3)C2)CCCCC1	2041301010	SXHJGPQSVLDEFB-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC(C)NC[C@@]1(C[C@H](C)C2CCC2)CC=CCC1	2042091189	JKAYABSOPSFAAM-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](NC)c1ccccc1C1CC1	2042292341	HASOBFYMIJWSHM-DCGLDWPTSA-N	245.410	4.507	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@@H]1CCCC2(CC2)C1	2043190421	JECRWRCGXMFGFM-GDBMZVCRSA-N	247.426	4.578	0	10	BJAE	
CCC[C@](C)(CNC1CC1)[C@H]1C=CCCCCC1	2045993240	PBPFMIQYHPYNQB-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C(CCNC[C@@H]1CC12CCCCC2)CCC1CC1	2047088514	PXEMWNKDJWXSRN-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@H]1CCC12CCC2	2047958845	LVAJRTOFHXTNCN-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@H]2[C@H]3CCCCC[C@H]32)CC1	2049191642	MEXQHIUAJXQNGI-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@H](C)[C@H]1CCCC(C)(C)C1)c1ccco1	2049528961	MVGLCMVQLITSSQ-RDBSUJKOSA-N	249.398	4.535	0	10	BJAE	
CN[C@H](CC=C(C)C)c1ccccc1CC(C)C	2051406284	QJBJZQNCBMVTGU-QGZVFWFLSA-N	245.410	4.502	0	10	BJAE	
CC=CC[C@]1(CNCC(C)C)CCCCC12CC2	2053363496	FBODMTPMWWNATM-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](C)C(C)=Cc1ccccc1C(C)C	2053934363	LJZNXJAIGQQPST-HNNXBMFYSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC)C[C@@H](CC2=CCCC2)C1	2055026116	FQPYIFPFIVCRSA-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@@H]2C=CCCC2(C)C)CC(C)(C)C1	2055533974	YEEKJABDTCAVAR-RBSFLKMASA-N	249.442	4.536	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCC1)C1(C)CCC(C)CC1	2056552624	MSYNFQSLHOEEIU-VUROTCPHSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(COc2cc(C(C)C)ccc2C)C1	2056665358	BQSCEKXEUCUQNG-UHFFFAOYSA-N	246.394	4.933	0	10	BJAE	
C/C=C/CCC[C@H](O)c1ccccc1C(C)(C)C	2059223646	PVQAAOVQVIEQTE-JFDDCEBESA-N	246.394	4.764	0	10	BJAE	
CCc1cc(C(F)F)cc(Cl)c1SC	2060054902	HWDWBJBYLVBFAP-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
C=C=CCC[C@@H]1C[C@H](CCC)CC[C@H]1NCCC	2061561359	QYAWKVFUCQUAEF-BRWVUGGUSA-N	249.442	4.692	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CC[C@]12CCC[C@H]1C2	2061606222	KGCQASXTMIHLTA-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C[C@@]12CCC[C@H]1C2	2061606358	LAWKQDITBBBRBS-VYDXJSESSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@@H](C1CC(=C2CC2)C1)[C@@H](C)CC(C)C	2061651176	URVDSGHTGKDFOF-SUMWQHHRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(OCC2CC(=C3CCC3)C2)cc1C	2061707416	QOVLPMKQLAXPGR-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CCCC[C@H](CC1CC(=C2CCC2)C1)NCCC	2061725680	HXBJMHVSIFBRHE-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC(C)CNC[C@@H](C)CCC1CC(=C2CCC2)C1	2061728479	KQBJZVGMNWEDHR-AWEZNQCLSA-N	249.442	4.539	0	10	BJAE	
CCCCCC1CC(NC2CC3(C2)CC3(C)C)C1	2064110639	FGDUVPZDHIBCFD-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC=CCN(C)C1CCC2(CCCCCC2)CC1	2065938174	CUEXJYJUKFNXFQ-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)C[C@@H]1CCCC2(CC2)C1	2068272680	AFDUMVAGJWHUAB-LZWOXQAQSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN2CC[C@]23CCC(C)(C)C3)CCC1	2069268389	QFAKCQLSSUNDCA-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCCC1(CC(=O)C[C@@H]2CCC[C@H]3C[C@@H]23)CCC1	2069282076	GEMKIPGXGZOEEC-DZKIICNBSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@@H]2CCCC3(CCC3)C2)CC1	2072664175	CHEIFZACMTWNNU-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C[C@H]2C=CCCC2)CC1	2072697985	YDNVVFDGOYJGEV-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(N)CC3(CCC3)C2)CC1	2072800197	BIVBHBVJWRZBEV-SHTZXODSSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc2ccn(C[C@]34CCCC[C@@H]3C4)c2c1	2074091090	NPOKJXVMKNVZHF-NVXWUHKLSA-N	239.362	4.530	0	10	BJAE	
CCCNC[C@]1(CC2(CCC)CC2)CC=CCC1	2074625511	BJAFVQPIRKYDDL-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC(C)(CC)CN(C)C[C@@H](C)c1ccccc1	2075138388	LJVRBZNJQAYKAX-OAHLLOKOSA-N	247.426	4.548	0	10	BJAE	
c1ccc(C2CCC2)c(NCCCCC2CC2)c1	2077265436	TVWPMHOTXKXWED-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@@H]1C1CCCCCC1)C1CC1	2079821463	VNSHTMCOZPEPDL-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCC[C@@H]1C[C@H]1C[C@H]1C1CCCCC1	2079861500	GGBOKBPGNNPTBA-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
CCc1ccccc1[C@](C)(O)CC(C)(C)C(C)C	2081209315	OIHBQALQFXSPHD-QGZVFWFLSA-N	248.410	4.529	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N[C@H](C)CC2=CCCCC2)C1	2085246004	ZWCJSDDRYVLUTR-DJIMGWMZSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@H]1C2	2086171450	NHOPSUOWFMQIOL-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
c1ccc2c(CCC3CC(=C4CC4)C3)ccnc2c1	2125725932	YNKKRURBNZVISZ-UHFFFAOYSA-N	249.357	4.668	0	10	BJAE	
CCCCC[C@@H](CCCCCCC1CC1)NC	2213574720	XSVWZAGPWGVUMK-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@H](C)CN(C)CCCCCCC1CC1	2213583296	QKFOOPVLZBRCGB-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CC1([C@@](C)(N)CCCCC2CC2)CCCCC1	2214583421	QICMMKXHTJEWCZ-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC[C@H]2C[C@H]2C)CC1	2215331540	LAZBLOIUMMHJFN-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2(C)CC(C)(C)C2)C1	2215434353	QTLHHUULBVVTOU-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@](C)(NCCCCCC(C)C)CC1	2215794337	UFIHBPMRLOPAAX-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCCCN(C)C[C@@]1(C)CC=C(C)CC1	2215800893	GFNYQEWVNHPFRN-INIZCTEOSA-N	237.431	4.635	0	10	BJAE	
CCCCCCN(C)C[C@]1(C)CC=C(C)CC1	2215800894	GFNYQEWVNHPFRN-MRXNPFEDSA-N	237.431	4.635	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC)CCCC(C)(C)CC1	2217154142	RATKVVPFVUPEPD-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
O=C(CC1C[C@H]2CCC[C@H](C1)C2)[C@@H]1CC=CCC1	2218331573	JYHIJWGDLTTZCQ-OFQRWUPVSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1=O	2218374171	NHEUBWVQNRLYMM-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CN(CCCCCCC1CC1)C[C@@]1(C)C=CCC1	2218735096	LOKOWGQPIOODRK-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CCCCCC[C@@H](C)NCC1(C2CC2)CC=CC1	2219246525	GAYNZRMQYUIHFQ-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1CC)CC1=CCCCC1	2220881935	ZYXCYXSHYXKJJN-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1(C)CC2(CCC2)C1	2221004342	PZBOXNHXBFOWQV-CSPWOOARSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](N)CC2(C)CC3(CCC3)C2)C1	2221015144	VKVWHNWFUDXQEQ-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@]1(C)CC=C(C)CC1	2221630541	JMECNJXAFISJKC-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
CC(C)=CCC[C@H](O)c1ccc(C2CCC2)cc1	2223681257	NILZMNILQSHXOX-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCC[C@@]2(C)C2CCC2)C1	2223856962	JNXKBVNWLQKOLX-WBVHZDCISA-N	249.442	4.610	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)[C@H](C)c1ccc(C)cc1	2223970160	VSKBVYWVSKQABP-ZBFHGGJFSA-N	247.426	4.513	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1ccc2occc2c1	2224197934	KPCPHJZIXMYSCK-CQSZACIVSA-N	246.350	4.683	0	10	BJAE	
CCC[C@H](O)CCCC[C@H]1CCC[C@H](C)C1	2242772637	KVUHUCWSLNFQSV-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@](N)(CC)CCCC[C@H]1C[C@@H]1C	2243044412	AAYRYTXWSKTYAS-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CC[C@@](O)(CC[C@H]1CCCCC12CC2)C(C)C	2246634902	VDZHFMUTFDXOEN-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](CC[C@@H]1CCC[C@@H](C)C1)NC	2246732552	LXWKRBJLMSZVLD-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(C[C@H]1CCC12CCC2)C(C)(C)C	2247410046	ZMQQAHIZAOTSBU-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2CCC2(C)C)c1	2249259900	STDVLRHMJLORRW-AWEZNQCLSA-N	231.383	4.585	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)C1CCCC1	2250467729	VGNPIICPPQSIFE-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CNCCC=C(C)CC[C@H](C)CCCC(C)C	2250468544	FDVWTROQXUPDCJ-OAHLLOKOSA-N	239.447	4.785	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)[C@@]1(C)C[C@@H]1C	2250527587	JFCHGJUNAAARGQ-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNCC1(C)CCC1	2250531220	XDFPKWUCSCRNEL-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)c1ccc2ccsc2c1	2253082388	PNCVDIPJMHMHOB-CMPLNLGQSA-N	244.359	4.520	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)c1ccc2ccsc2c1	2253083459	VFGQGESSUZUFDM-LBPRGKRZSA-N	244.359	4.520	0	10	BJAE	
CC1(C)CCC[C@@]1(N)CC[C@@H]1CCCCC12CC2	2253823983	PLCUHQNQCHZYNT-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C1(CC2CC2)CCC1	2254521087	JYTZWZPSBQDIHU-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)c1ccccc1C1CC1	2254961441	PDCHZFKLBUYPCJ-CYBMUJFWSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(C[C@@H]2CCC23CCC3)C1	2255025887	PAEBBSODMFZBOJ-PMPSAXMXSA-N	249.442	4.502	0	10	BJAE	
Cc1cccc2c1N[C@@H](C[C@@H]1CCC1(C)C)CC2	2255029938	VOPXXAGFSNCRSG-LSDHHAIUSA-N	243.394	4.548	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@]1(N)CC1=CCCCC1	2255132912	MOMXZNPABNYNCF-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCCC12CC2)CC1(C)CC1	2255284915	CVOPNLIVOWGOEY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1NC[C@H]1CC[C@H](C)CC1	2256110723	IEIXBUYVWFKIDS-JOCQHMNTSA-N	249.373	4.626	0	10	BJAE	
Cc1cc(NCCC[C@H]2CC2(C)C)cc(C)c1C	2258245238	LMUOYFZKEXOGAJ-HNNXBMFYSA-N	245.410	4.850	0	10	BJAE	
O=C(CCCCCC1CC1)[C@]12CCCC[C@H]1CC2	2260511834	KNTSENZWLCYVMU-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@@]12CCC[C@@H]1CC2	2260531438	BTVWFGNOJGTVIY-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(NC[C@]23CCCC[C@@H]2CC3)CCC1	2260583138	NDISMMYJITWUQE-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@]12CCC[C@@H]1CC2	2260596069	MYVGVBKTQWKYGJ-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(N)(C[C@@]23CCC[C@H]2CC3)CC1	2260671469	MRQNSSFAEADNLT-YZUHTNEWSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@]12CCC[C@H]1CC2	2260671772	MYVGVBKTQWKYGJ-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC(C)(C)C(C)(F)F	2300505208	KCSSFDNWLYAINF-ZDUSSCGKSA-N	249.389	4.602	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCC2(CCC2)C1	2300704712	VLXLSBCAFVWARK-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CC1CC(C)C1	2300899846	RRXAAUGUOTWTJU-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](C)C1(CC=C(C)CCCC(C)C)CC1	2300927005	QVPHOTUSTXVKET-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](N)[C@H](CC2CCCCCC2)C1	2301140990	UMHWQEXEFGCJCF-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
O=C1CCCCCC[C@H]1CC1CCCCCC1	2301241856	MSZMDTVSMZLROU-HNNXBMFYSA-N	236.399	4.886	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H](N)CC1CCCCCC1	2301954440	ZTIOMWSLDUOXID-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@@H](C)[C@@H](C)C(C)C	2301977575	HNBYNRJUWTWKNT-HRCADAONSA-N	241.463	4.814	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)CCCCC2CC2)CC1	2302573448	FEGWRWKNNWUOCR-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)CCC[C@H]2C[C@@H]2C)CCC1	2302607849	CWZQQWLWPMXOOE-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCC(C)(C)C1)C1CCC1	2302709600	JMMXGJKJCKLZJX-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@H]1CCC(C)=C(C)C1	2303522155	KRUYOOFYQFPFMH-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@H]1CCC(C)=C(C)C1	2303526356	RPEHRIICPJCRKB-PMPSAXMXSA-N	237.431	4.667	0	10	BJAE	
C[C@H](CC(=O)CC[C@@H]1CCC(C)(C)C1)C1CC1	2304438457	WMTRHFMVNWLGRQ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CNC2(CCCCC2)C1	2307826441	MLELRONZQGWPJH-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CNC1CC1)CC(C)C	2307831329	JOIJAIROKZCWES-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H]1CCCC1(C)C	2307902938	NCKISWNXAKKKMO-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](C(CC2CC2)CC2CC2)C(=O)C1	2313691605	HDTAOVDPEFJOLH-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1ccc(C(C)(C)C)cc1	2316503409	PVGDMMOTVUQOHY-MRXNPFEDSA-N	245.410	4.730	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316873133	LOGCMYWLWYJXQT-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@@H]1C[C@H]1C1CCCC1	2316875414	WDKMRTXIOQLXHR-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@@](C)(N)CC1CCCCCC1	2316880732	YSTMPEFANMQUEN-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C1(C)CC=CC1	2316887349	XEZCSYMQFOGJCJ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1CC12CCCC2	2317941084	MGOQLKLJLAEDEL-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cccc(OC)c1C	2318408867	OGVYDSIDODJGHE-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CC(C)c1cccc([C@H](O)CCC[C@H]2C[C@H]2C)c1	2318927568	JAERIYJCIAJIHI-UKPHBRMFSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCC[C@@H]3C[C@H]32)CC1	2319338651	BXMLPQREKVPYNU-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1[C@H](N(C)CCCC2=CCCCC2)CC1(C)C	2319879936	CEXBBTXSWBUTMU-GDBMZVCRSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](NCC2(C)CCCCCC2)CC1	2320236952	FBUSSSQQZHIVCH-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CCCCC(C)(C)C2)CC1	2320386993	CFCAUROIAAWLHU-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@H]1CCC(C)=C(C)C1	2320388728	SXTXXPYLQQWHHQ-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CCNC2(CC3CCC3)CC2)C1	2321542236	NOHZZSJUZPHULX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CN(CC[C@@H]1CCC(C)(C)C1)C1CCC=CCC1	2321634186	PITVHULHAVEKSH-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CC[C@H](CC=C[C@]2(C)CNC(C)(C)C2)C1	2321637841	VSSRADKAKQWFQI-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CCN2C3CCCC2CCC3)C1	2321643506	XUNNKZLOQRRISP-FHERZECASA-N	249.442	4.610	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@@H]2CC=CCC2)c1	2327658566	ZYAAAGVDEHSNTK-CQSZACIVSA-N	242.362	4.657	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1c(C)cc(C)cc1C	2328280464	AJUMYSNRQIGQPB-JKSUJKDBSA-N	247.426	4.828	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)c1ccccc1	19982611	FDVGVAXMVZHRNM-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CC(C)[C@H](Nc1cccc(F)c1)c1ccccc1	37202743	LFGHJCPGFFVRKS-INIZCTEOSA-N	243.325	4.635	0	10	BJAE	
CCCN[C@@H](CCC)c1cccc2ccccc12	70941300	UQEQAEFLLQSDIA-KRWDZBQOSA-N	241.378	4.681	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1cccc2ccccc12	79904369	VRSGUXAJTLKIBM-INIZCTEOSA-N	241.378	4.537	0	10	BJAE	
Cc1cccc(C)c1NC[C@H](C)c1ccccc1	83367350	KYYNNKAFOVLJQM-HNNXBMFYSA-N	239.362	4.519	0	10	BJAE	
C[C@@H]1CC(Oc2ccc(Cl)cc2)C[C@@H](C)C1	85150265	QHMLNEBPXYKBDH-QWRGUYRKSA-N	238.758	4.544	0	10	BJAE	
CCC[C@H](O)c1cc2cccc(C(C)(C)C)c2o1	88072431	WYUPWHPBFFFIOF-ZDUSSCGKSA-N	246.350	4.564	0	10	BJAE	
CCCCCC[C@H](C)Oc1cc(C=O)ccc1C	97905476	SIIKLVQGPNOFPU-AWEZNQCLSA-N	248.366	4.545	0	10	BJAE	
C/C=C\C[C@H](CC)c1cc(C)c(C)cc1F	107566879	CLOZIFBOINQAPJ-VGVVRCBHSA-N	220.331	4.902	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCC1CCC(C)CC1	109963489	COHRQZZEURISRU-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(CSc2ccccc2)cc1	113224663	AUGDSLUUVSOSSS-UHFFFAOYSA-N	228.360	4.541	0	10	BJAE	
CCCC(CCC)[C@H](NC)c1csc(C)c1	129400498	BWRGAYMSUWWHNG-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCC(C)(C)C2)cc1C	131308321	PQHNVFXIENFDNN-GDBMZVCRSA-N	245.410	4.533	0	10	BJAE	
Cc1cc(C)c(C/C=C/c2ccccc2)c(C)c1	137571371	ZNSCWBVORYOTPR-JXMROGBWSA-N	236.358	4.868	0	10	BJAE	
CCCC1([C@@H](O)c2ccc(C(C)C)cc2)CCC1	145972596	NTZHINACNWKQPH-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCCCC[C@H](N)CC12CC3CC(CC(C3)C1)C2	159674248	JCEMYJOWUZETHX-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(-c2c(F)cccc2Cl)c1C	160401295	UDPIHOKRKYTVIO-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
Cc1ccc(C)c(C(=O)C2C[C@@H](C)C[C@H](C)C2)c1	166001778	WQKJQBGALRXGDH-STQMWFEESA-N	244.378	4.558	0	10	BJAE	
CCN[C@H](CC1CCCCC1)c1cccc(C)c1	169128056	BBGGCIYNFMYFRP-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CC[Si](CC)(CC)Sc1ccccc1	196294066	HJHHCQPEBMTYBR-UHFFFAOYSA-N	224.445	4.784	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)c1cccc(C)c1	203336511	NJENMLXECOSHNQ-NVXWUHKLSA-N	247.426	4.775	0	10	BJAE	
CCCC(CCC)c1nc2c([nH]1)C[C@@H](CC)CC2	212935090	KFQDSEAPFCZEHT-LBPRGKRZSA-N	248.414	4.608	0	10	BJAE	
CCCCCCc1csc(-c2ccccc2)n1	224908999	UTISBGVFVFUHOI-UHFFFAOYSA-N	245.391	4.933	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)C(CC)CC	228739360	YQYVWPACRUROIB-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(OCCC(C)C)cc1	232358296	FQXXFQUGWXZARB-CYBMUJFWSA-N	220.356	4.625	0	10	BJAE	
CCC(C)(C)CN[C@H]1CCCC[C@H]1C(C)(C)C	232999666	MFBLHFUYIBQUJT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)Cc1c[nH]c2ccc(Cl)cc12	233273802	WXIZXIKRKDHCIF-SNVBAGLBSA-N	235.758	4.800	0	10	BJAE	
C[C@H](c1cccc(C=O)c1)C1CCCCCC1	258286387	CRSNSAZDIPIJFL-ZDUSSCGKSA-N	230.351	4.573	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@@H]2CCC23CCCCC3)C1	299952374	IIFXFWKRACRFNW-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)C1CCCCCC1	302304496	FEIXJNZZTITHQR-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](CNC(C)(C)C)C(C)C	302333060	LBVQERWDIYNKLF-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@@H]1/C=C/CCCCC1	305913890	AMHMWTDSMRADCE-QLPPCANRSA-N	243.394	4.535	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)C[C@H](C)CC(C)(C)C	305956161	NUBDIERCXCTFEZ-SOUVJXGZSA-N	241.463	4.848	0	10	BJAE	
Cc1cc(F)cc(NC(C2CCC2)C2CCC2)c1	306073778	DUCDZLBRDOXLOV-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC(C)C[C@@H](C)c1ccc2c(c1)CC[C@H](C)N2	306090919	JKGXHUXERIIHIS-OLZOCXBDSA-N	231.383	4.583	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@H](C)c1ccccc1	308057175	QZNHRKHZCLDORS-LSDHHAIUSA-N	246.394	4.822	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)c1ccc(CC)cc1	308084299	QJWUPPLNFAXQKN-DLBZAZTESA-N	247.426	4.711	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)c1ccc(CC)cc1	308084302	QJWUPPLNFAXQKN-SJORKVTESA-N	247.426	4.711	0	10	BJAE	
CC(C)(C)CCCC(O)(C1CCC1)C1CCC1	310481542	DMTOLGFZPNXWDT-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCC[C@H](C)C2)c(C)c1	310780522	RMJVUZOVNPJIDS-SWLSCSKDSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@@H](CC1CCC(C)CC1)c1ccoc1	310971634	IGRSNOQUHBNZLQ-XUJLQICISA-N	249.398	4.537	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(O)CC(C)(C)CC(C)(C)C1	318940053	YWEXJXQRBLBQMM-CHWSQXEVSA-N	240.431	4.636	0	10	BJAE	
O=C1CCCC[C@H](CC/C=C\c2ccccc2)C1	324122601	INIYZHWDADDTSU-FIRRRZPPSA-N	242.362	4.629	0	10	BJAE	
CC1CCC(C[C@H](O)C2(C)CCCCC2)CC1	379816648	RAEKKBPAFYQHOC-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](C)NCC1CCC(C)(C)CC1	383562987	IPCBUABQZJACCE-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC)CCCCC1=CCCCC1	384893034	YXEDMFNKPWTMJT-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
C[C@@H](C[C@@H](C)CCNC(C)(C)C)c1ccccc1	385007554	WJCNNLOOUSEABY-GJZGRUSLSA-N	247.426	4.595	0	10	BJAE	
CC1CCC(C[C@@H](N)CCC2CCCC2)CC1	393837465	OXCJWOQFQMBLKA-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCc1cc(NC[C@@H]2CCCC[C@@H]2C)ccc1C	394771389	AAUHYVPAFCYGEQ-BBRMVZONSA-N	245.410	4.796	0	10	BJAE	
C[C@H](NCCCC1CCCCC1)C1CCCC1	395276556	XZZUSCUAQYNILJ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCc1sc2cc(C)ccc2c1C(F)F	396230761	ZVPIAZIIIIXIPT-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1cc2c(F)c(C(F)(F)F)ccc2s1	396302443	LQGGKLFTIOCYAT-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
C[C@@H]([C@@H](N)c1ccc2ccccc2c1)C(C)(C)C	399098700	ZNFFLRWFBNOWIZ-BLLLJJGKSA-N	241.378	4.522	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@@H](C)C(C)(C)C	399215217	RRIICJUOBZXLQI-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1cccc(C)c1F	401791786	GMATWXGBAAEVQZ-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNC(C)(C)C(C)(C)C	401967547	WDZIPTUGIGZOAI-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC)CCC[C@@H]1C[C@H]2C=C[C@H]1CC2	402163580	QTMBMRJLCDKZSC-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1coc2ccccc12	404297676	ONZDFKFEOSQYLD-WBMJQRKESA-N	245.366	4.649	0	10	BJAE	
CCCCC[C@H](CCCC1CC1)NCCC	405816826	IVAXMXHJMXAGRO-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)C(C)(C)C	687693383	SWGWPBVUVKLDAI-HIFRSBDPSA-N	247.426	4.798	0	10	BJAE	
CC(C)c1cccc([C@]2(O)CCCCC[C@H]2C)c1	688910825	CESHGTYICZQZEG-PBHICJAKSA-N	246.394	4.598	0	10	BJAE	
C(CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)CC1CCC1	689016833	ZIDFMRSUSKYGTN-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H](C)CC(C)(C)C	689736946	GQTLVWBISLXFFU-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@](N)(CC)CC/C=C\c1ccccc1	690514737	JRVXQCROXQCMKR-GQPJMJRUSA-N	245.410	4.778	0	10	BJAE	
CCC1(C(=O)C[C@@H]2CC3CCC2CC3)CCCC1	691657733	LCXMQPAVGICPLB-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@H]1CC2CCC1CC2	691759216	OJPVCTLXMGJHHK-OPKDVZQQSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H](C)CCC(C)(C)C	695062870	RZYYMZDZOXGSFQ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)c1csc(C)c1	696209800	XTMHJAYGGHRNAL-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCCc1ccccc1O[C@H]1CCC[C@@H](CC)C1	699505855	HKLYVULBAJOERQ-ZBFHGGJFSA-N	246.394	4.987	0	10	BJAE	
CCC[C@@](N)(CC1(C)CCCC1)[C@H]1CC1(C)C	704471184	CBJFRRATKMUGLK-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@H]2CCCC23CC3)C1	706955437	GXUMTIZAUUTTCM-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC(C)CC[C@](N)(CC1CCCCC1)C1CC1	707569585	SSGQBJQRJZTWSR-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
C[C@H](N[C@@H]1CCCC(C)(C)C1)[C@]12CCCC[C@H]1C2	709155234	SECRPXICOQUZBG-LJIGWXMPSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@H](O)CC1=CCCCC1)CC(C)(C)C	709243312	LWFBJHOYGPXCFM-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@@H](C)CC(C)C	709278827	ZXANEPNLWAMWAV-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@H]1CCCC2(CC2)C1	710134956	ILJPLLYXYHYVNO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC(=O)c1cc(C)c(Cl)s1	711333661	XILCQQGAJYEQHC-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@H]2CCCC[C@@H]21	712530291	FBYATXQUJJWEOU-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@H](N)CC(C)(C)C	713161878	URONACISAGGNBX-NUEKZKHPSA-N	247.426	4.580	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(N)CCC(C)(C)C[C@H]1C	713175197	LUYMMRPEGGDDFD-CZUORRHYSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C\CCCc1ccc(Cl)c(F)c1	713746765	UMAABMIMXIHCPH-ARJAWSKDSA-N	224.706	4.544	0	10	BJAE	
CCCN[C@H]1CC(C)(C)CC[C@H]1CCC(C)C	717460353	BZIKXOGVLRTIAJ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCN[C@@H]1CCCCCC1(C)C	719220851	AIYSWLBZCBBKKW-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC1(C)C)C(C)(CC)CC	722679500	JRRNADIOHRTMCO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(CSc2cccc(C)c2)c1	1165592825	HWIMQYNDFFIIMW-UHFFFAOYSA-N	242.387	4.904	0	10	BJAE	
CC(C)[C@@H](C)SC[C@@H](C)C1CCCCC1	1458965970	APWIYFFVYJKQHT-CHWSQXEVSA-N	228.445	4.981	0	10	BJAE	
C=C/C=C\CCOc1ccc(Cl)c(Cl)c1	1640674968	MBBIYXRAYVPQOW-ARJAWSKDSA-N	243.133	4.505	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)C1(Cl)CCCC1	1901850406	QYUFQGLYAULYQM-CYBMUJFWSA-N	246.822	4.505	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@H](C)C(C)(C)C	1905431509	KPPSNRDHASMHCC-STQMWFEESA-N	226.404	4.844	0	10	BJAE	
CCN[C@H](CCC1CCC1)C1CC2(CCCC2)C1	1912631220	UEEWDRJWWRRXJL-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(=CCl)C[C@@H]1CCCCCCCCC1=O	1913388584	GMAJQBBHESEYRA-ZDUSSCGKSA-N	242.790	4.839	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H]1CCC[C@@H](CC)C1	1919973528	IGHFGQAYCSZGAE-PMPSAXMXSA-N	240.431	4.924	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](N)(c1ccccc1)C(C)C	1920435241	JQENEIRZVMRSIJ-WBVHZDCISA-N	247.426	4.569	0	10	BJAE	
CCCC1CC(CCCC(C)C)(CNCC)C1	1921207094	NUOBLXLCGYUXHE-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC1CC(C(=O)c2ccc(C3CCC3)cc2)C1	1921263266	BPQAEFGQJVIQNH-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CCCC1CC(C(=O)c2ccc(C3CC3)cc2)C1	1921270500	CYEQOORRJRGKRK-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2C[C@H]3CCC[C@H](C2)C3)C1	1923479668	HZXFOLVAVBOUBW-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)[C@@H](C)C1CCCCC1	1924077056	YLAPLDDPDPWNCN-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H](C)C1CCCC1	1924123137	AIPLHINVIHIRHY-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
CN[C@H](CCC[C@@H]1C=CCCCC1)C(C)(C)C	1925945802	OBNJEYCXOFMUMB-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC1CC(CC(=O)CC2CCC(C)(C)CC2)C1	1927016345	ZCWWLIZZJVTNGY-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CCCC(C)(C)C)c1cccc(N)c1	1936003001	QOMQYEJXFKCZIB-GFCCVEGCSA-N	219.372	4.589	0	10	BJAE	
CCCCCC[C@H](O)CC[C@@H]1CCCC1(F)F	1940706111	NKCNJCBSYLVDFH-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CCC[C@@H]1CC1(C)C	1940884725	ZMEGGBUDABBAGV-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C(=O)c1ccc2sccc2c1)C1CC1	1941135087	ZKDCIKWTYFQFIQ-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CCC[C@H](C(=O)c1cccc(CC)c1)C(C)C	1941265580	WPZMZVBHNDHHFW-HNNXBMFYSA-N	232.367	4.504	0	10	BJAE	
CCC[C@H](C(=O)C1C[C@@H](C)C[C@H](C)C1)C(C)C	1941265592	XAKUPXPUSSIGJF-YDHLFZDLSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(O)CCCC1CCC1	1941469824	IOXQQELMOABZIA-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCC1(C)CC(C)(C)C1	1942074007	SKWQXGBAGGIERT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H]([C@@H](C)CCC(C)C)C1	1942657480	FTAQRDMGDMGIKL-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@]1(CNC(C)C)CCCC1(C)C	1944475735	OUNHACNPFKXQPI-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC[C@@H]2C)C1	1944795769	WUQWTGYYIZBKBQ-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC[C@@H]1C)C1CCCC1	1944844333	YZVSDBFULNFAIM-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)C1(CC(F)F)CCC1	1946573019	JZLAJSKTXNSDDI-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H]2C(C)C)c(C)c1	1947460727	HKHXVSZHLKCPJM-ZBFHGGJFSA-N	231.383	4.540	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@@H]1C=CCCC1	1947589000	VNGUHQQWEUWSEC-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@H]1CC12CCCC2	1948072026	OWVVXEOEFWXUFC-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@H](C)C(C)(C)C)C1CCCCC1	1948935138	SWQQFBRMTJUFON-KCQAQPDRSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CCC1=CCCCC1	1949042114	ALIYSLOWASPQBJ-CVEARBPZSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@@H](NCCC)c1cc(Cl)cs1	1958190791	JYPXPYVMQQHBSM-LLVKDONJSA-N	245.819	4.632	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2CC(C3CCCCC3)C2)C1	1965989661	NQPDKGMALKWULZ-CRYBEJKASA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1cccc(COc2ccccc2)c1	1968269446	BNBOWNBEXANVJA-UHFFFAOYSA-N	240.346	4.563	0	10	BJAE	
CCCCC1CC(NC2CCC(CC)CC2)C1	1968665523	MWOGQMSDLTYNQR-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)C2CC3(CCC3)C2)C1	1970281582	OADLPWLRIGCZQW-SQWLQELKSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cc(C(F)F)cs1	1977077862	DPHJZGRBAQTMCQ-SNVBAGLBSA-N	248.338	4.545	0	10	BJAE	
CCCCC[C@H]1CCCCCC[C@H]1NCC	1980336868	OGDCYXDFSGYYPK-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](C)CC(=O)c1cccc(Cl)c1	1980684574	IIVULEYBYOTYPS-MNOVXSKESA-N	238.758	4.595	0	10	BJAE	
CC=CCCCNc1ccc(CC)c(Cl)c1	1984617086	UWCPBRAFWLHVCO-UHFFFAOYSA-N	237.774	4.671	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCC(C)(F)F	1995214177	JTMKOGURXXTKSU-NSHDSACASA-N	234.330	4.597	0	10	BJAE	
C[C@H](CN(C)[C@@H](C)CCC1CC1)CC(C)(C)C	1995742738	AAUCTCNVVSWZJI-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCC12CCCCC2	1996616452	MKAINKUEWRGQKO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](C)(N)CC1CC(C(C)(C)C)C1	1998236494	KJSKTHZBCQHDCR-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CCCC(C)(F)F	2000196891	PBPLFHLNMDTCPO-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N(C)[C@@H](C)CC(C)(C)C)C1	2000909116	HVIPTDURNCFNLF-LJISPDSOSA-N	239.447	4.568	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1CC12CCCCC2	2001210314	JEKOMECCNASGAA-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1CCCC1(F)F	2001814497	ODDORRHRSUFCHL-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCc1cccc2c(Cl)c3c(nc12)[C@H](C)CC3	2002853525	PDJKZHZEGSPMRO-SECBINFHSA-N	245.753	4.500	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H](C)[C@@H]1CCC[C@H](C)C1	2003020701	ZTFJUBATHKXUNP-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2003023614	YBWAFICTXLOXQT-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCCCCCC[C@@H]2O)C1	2003112275	SLPNMQXBURDBGJ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
OC1(C[C@@H]2CC=CCC2)CCCCCCCC1	2003121476	RISKFUORRFLXGK-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](C)NC1C2CCCC1CCC2	2003369078	ZSGMMPWEBIFEPD-CUUNVARJSA-N	237.431	4.514	0	10	BJAE	
CCc1cc(N[C@@H](C)C2(C)CCC2)ccc1C	2004836318	XLJJFEPTFKRYMF-ZDUSSCGKSA-N	231.383	4.548	0	10	BJAE	
CSc1ccc(N[C@H]2CCCCC23CC3)cc1	2005530133	OTDGTVGTKONCDP-AWEZNQCLSA-N	247.407	4.543	0	10	BJAE	
CC=CCCC[C@@H]1CCCC[C@H](NCCC)C1	2009615715	BHEQCRGCIKKQKH-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@@H]1CCCCC[C@@H]1CNCC	2009616090	FZHGUHXOYBXHRD-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C1=CC[C@@H](CC)CC1	2010715446	BVVBOYNFOJGHCX-IJEWVQPXSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CCCC(C)(F)F	2013309025	LZGCFEQPWRVWGH-CYBMUJFWSA-N	249.389	4.568	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)C1(C)CCCC1	2014334002	GGPBHBUCNCURAX-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC(C)C)CC(C(C)C)C(C)C	2015291011	OVLIQSVRSOGNSZ-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CN[C@@H](CC[C@@H](C)C(C)C)CC1CCCCC1	2015410753	DJFWJEXXGPERNG-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(=O)c1cc2ccccc2s1	2016441780	IQKQPOIFRSDWCE-ZUZCIYMTSA-N	244.359	4.520	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C[C@@H]1C[C@@H]1CC	2016852573	RGUPJYZOHDRSFQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@]1(C)CCCC(C)(C)C1	2017623402	PTNWYOUQXJTRFT-ZBFHGGJFSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](C)C[C@@H](C[C@H]1CC[C@H](CC)CC1)NC	2017720562	HODVPCBCPMHLRH-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)C[C@H]1CC[C@H](CC)CC1	2017729726	ZQNSFINRBUSWFP-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@H]1CC[C@H](C)CC1	2017731192	ORTDOOCDSABRMB-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CCCC23CCC3)sc1C	2017989222	HGBANOPXRZFXCQ-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CC(C)(C)CC(=O)C[C@H]1C[C@H]1C1CCCCC1	2022554311	NGQQIBNVEJJUGB-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(N)(CC(C)C)CC(C)C	2022563121	OPWDENLEYZZBCZ-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C=C1CCC1)c1sc(C)cc1C	2022682575	DWBVSKYPDCHMIZ-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@H]1CC[C@H](N)CC1	2023554115	XJNBGFBLAZCFCV-QKPAOTATSA-N	239.447	4.747	0	10	BJAE	
C/C=C/CCC[C@@H]1CC(C)(C)CC[C@@H]1NCC	2024126387	WSZZFRMAQBKAHQ-ZWXLGZMVSA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@H]1CC[C@H](CC)CC1	2027030451	VMJWWZDJXYGWPS-BRWVUGGUSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)C1(C2CC2)CC1	2028101811	SOELHZYDBLBESV-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCc1cccc([C@H](NC)[C@H](CC)C(C)C)c1	2028260101	CBJMDPNWDNHANP-SJORKVTESA-N	247.426	4.582	0	10	BJAE	
CCCC[C@@H](NCCC)c1ccccc1C1CC1	2028549142	KJQYTGGBRPMZLI-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1ccc(C2(C)CC2)cc1	2028608409	KCRGSIPJLIRZIY-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CC1(C)CC(CNC2(C3CCCCC3)CCC2)C1	2033054973	FOZNSMYBOGRHHY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC(C)(C)C1=CCCC1	2035410850	PFLDQDMIHOSVSF-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)C[C@H](C)c1ccccc1	2036383451	ONQXDXIZTDVARQ-ZOBUZTSGSA-N	248.410	4.613	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@H]1CC(C)=C[C@H](C)C1	2037043868	KWIZKINVDAQAOY-BYHHXJKWSA-N	249.442	4.523	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C[C@H]1CCC[C@@H](C)C1	2037048840	UCOZMKKXKIZDKM-KCXAZCMYSA-N	245.410	4.520	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C2(C)CCCCCC2)c1	2037072356	OJCRNSPBZPMGNF-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@@H]2CC=CCC2)CC1	2037167567	XUZBQPSRXAQKGP-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CCNC[C@]1([C@H]2CC[C@@H](C)C2)CCC=CCCC1	2037697561	HUUFEQMJYKJNNK-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@]1(CC2CC3(CCC3)C2)CCCCCN1	2038078213	IIPNHFRZUMXHSK-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(CCN[C@H]2CCCCC23CCC3)C1	2038094609	OXSNIOLVIKRWTB-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCCC1(C)CC1)c1ccccc1	2038127928	IUMQYRMWTCMROV-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
Cc1cccc([C@H](O)[C@H]2CCC[C@@H](C)CC2)c1C	2039359724	MLEXPULRSZFXLW-ISTRZQFTSA-N	246.394	4.553	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H]1CCC[C@@H](C)CC1	2039363897	SOXCFNHHSUVXQV-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](NC2(C3CC3)CCCCC2)C[C@H]1C	2042948799	MUXVCJFTRTVOOF-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)C[C@H]1CCC=CCCC1	2045318052	RGDHSVANMRPGSS-HRCADAONSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@@H]1CCC12CCC2	2047943521	RUZSUUJSQXDBEU-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCC1)[C@@H]1CCCC(C)(C)C1	2049498451	LJTAPEWYSHWXPV-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C(C(=O)CC2CCC3(CC2)CC3)C1(C)C	2049940669	NYTXVAPUVGFHKK-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)[C@]1(C)C=CCC1	2050004124	VKSHEKYGFDVGEP-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@H]3CC[C@@H]32)ccc1C	2052287311	XGBDPNWNESZUEA-BHYGNILZSA-N	243.394	4.548	0	10	BJAE	
Cc1c[nH]c(C(=O)C2(C)CCCCCCC2)c1C	2052463992	WYDHBIBGSWBXNA-UHFFFAOYSA-N	247.382	4.565	0	10	BJAE	
O=C(CC1CCCCC1)CC1CC(C2CCC2)C1	2056673508	MSHVOOVKPPRGIH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C=C1CCCC1)c1ccc(C(C)C)cc1	2056874875	AUSPCNLIMUFTIT-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(C=C2CCCCC2)CC1	2056920000	NJXSVUJTYQYPTD-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CC[C@H]3C[C@H]3CC2)C1	2059395243	IHYMXORESHFYTO-LJEMCRLJSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(N)CC2CCCCC2)CC1	2061114151	VZNAFLXWIHNOIG-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CC1CCC(C)([C@H](N)CC[C@@]23CCC[C@@H]2C3)CC1	2061571393	KEEJYZPEWUCDQB-VYKNEJCXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC([C@H](N)CC[C@@]23CCC[C@H]2C3)CC1	2061573847	BDHAZDNXAJYALT-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC1CC(=C2CC2)C1)C(C)C	2061739474	NYIXEEDNTXZGQR-GUYCJALGSA-N	249.442	4.537	0	10	BJAE	
CN(CCC1CCCC1)C[C@@H]1CCC=CCCC1	2062009549	NTOBPIGBFHTMLP-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
C[C@H]1CCCC[C@]1(N)CC1CC2(C1)CC(C)(C)C2	2063202816	CJAWSTHSPCPQJQ-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCCC1(CN)CC2(C1)CC21CC1	2064005287	MNHHVGOCFJGFPB-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C2CC3(C2)CC3(C)C)C1	2064133030	QJWJBISDTBHLRX-YRFCHQJDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)CC23CCC(CC2)C3)C1	2065285443	FRSSNMHBYACXAS-LQWAEYHHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1NC1CCC2(CCCCCC2)CC1	2065893085	UOCYDRGFHFILJS-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H]1NCCC1=C1CCC(C(C)(C)C)CC1	2067974107	BAQTXYRGHOZOBZ-WMCAAGNKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC1(CNC2CC2)CCCCCC1	2070962424	JMJYJKXNRRPUCC-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(C[C@@]2(N)CCC23CCCCC3)CCC1	2071951359	YABMGTQNSQCQAX-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1[C@H]2CCCCC[C@H]21	2072422019	BIBAAWAFSWWWNZ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1CCC2(CC1)CC2	2072424110	KEZGCNFSVCTEMR-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC=C(C)[C@H]2N)CC1	2072800990	JQSSJTGCVIOCPL-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](CC(C)=CCCNC2CC2)CC1	2072814694	FLRLORDWPHVQEO-WKILWMFISA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(C=C2CCCNC[C@H]2C)CC1	2072820677	JCVUGEGJGZIJLD-QQFBHYJXSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2[C@H]3CCCC[C@H]32)CC1	2072882062	QZRXYOAZFJHRLQ-YWULMLBCSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)[C@H]1C[C@H]2C=C[C@H]1C2	2073290033	ZUBYRCSAGGTDPJ-JSRQGNBESA-N	249.442	4.536	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@]23CCCC[C@@H]2C3)C1	2074030384	SUZKMPKYSDTAKO-DJIMGWMZSA-N	249.442	4.502	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@]12CCCC[C@@H]1C2	2074092610	YSFCLZCYRZTICX-WBVHZDCISA-N	239.362	4.530	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCC2(CCCCC2)C1	2074897315	VAYPDIYMBGUWAD-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N([C@H]2CCC23CCCCC3)C1	2075009687	AGYLKIZLDVYVAC-XHSDSOJGSA-N	249.442	4.610	0	10	BJAE	
CCN([C@@H](C)c1ccccc1)[C@H]1CCCC1(C)C	2078725087	OJXLCDZSPFMFDL-HOCLYGCPSA-N	245.410	4.648	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1C[C@@H]1C1CCC1	2079443443	OPLHUOCZIZBLNW-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
CCCCCc1ccc([C@H](CC)NCCC)cc1	2082714419	DCANXEPHNKPYMQ-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CCCC[C@@H](N)CCC1CC2(C1)CC1(CCC1)C2	2083615059	HJTFJCURTFUART-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)Cc2cccc(C[C@@H]3C=CCCC3)c2C1	2084036674	FTAJJQVFQAOPHB-CQSZACIVSA-N	240.390	4.710	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CC[C@@H]1C	2211440576	VLNYEKZWKMLRIK-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](CCCCCCC2CC2)C(=O)C1	2213577729	FIISVMQHMUBOJK-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@H](C)NC1CCC(C2CC2)CC1	2213699977	GTGXLHJSEUXQMA-IUDNXUCKSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](O)CCCCC1CC1	2214564093	ULQNWIXTPADPIX-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC1(C)CC(C)(C)C1	2215441696	YKAHLPKSIVAXRS-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
OC1(CCCCCCCCC2CC2)CCCC1	2216875900	AAOZCEBOXVYLEM-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CC(C)Cc1ccc([C@@H]2CCCCC(=O)C2)cc1	2218653513	VJAHEGXSKXBRPS-MRXNPFEDSA-N	244.378	4.502	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@]12CCC[C@@H]1C2	2220042930	AVYMOCUVMIXXDA-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@@H]1CCCCC12CC2	2220046302	SFUJDFQKVGBZPM-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2220962613	QHKZQBTWZCGUCS-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CC1(C)CC2(CCC2)C1	2221028949	VLOHMIPLKBVEPG-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@H]2CCCCC23CC3)C1	2221087133	ZDJZCNNVVHOMPC-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@@](C)(NC[C@@H]2CCCC(C)(C)C2)CC1	2221606838	JRYCFPCBDFJFAZ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@]2(C)CC=C(C)CC2)C1	2221642919	KPOWMCLLYGEDHH-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1csc(C)c1C	2242619694	DMTNWDSXWNSQGH-OCCSQVGLSA-N	240.412	4.615	0	10	BJAE	
Cc1cc(NCc2csc(C3CC3)c2)cs1	2243501628	ZYNGCTQBTNQJIM-UHFFFAOYSA-N	249.404	4.608	0	10	BJAE	
CCCN[C@H](c1cccs1)[C@@H](CC)CCC	2244776174	VRULIMUQXYVMTK-JSGCOSHPSA-N	239.428	4.615	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1c(C)sc(C)c1C	2244779296	CYIGUAUKQDGFFJ-GFCCVEGCSA-N	238.396	4.682	0	10	BJAE	
CCC1(C(=O)CC[C@H]2CCC[C@@H](C)C2)CCC1	2246658829	DEXCAEWUCQVHAF-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](C)(O)C2CCCC2)C1	2246686046	BVICRTJPMBQDFC-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](CCCC[C@H]1C[C@@H]1C)NC	2247130475	VMTBNFCXJNRWTH-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)CC1=CCCCC1	2247159367	MVNVJHLFHPIMIG-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
Cc1csc(C)c1C(=O)C[C@@H]1CCCC12CC2	2247667165	VMVDSDBYDLUXHB-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
N[C@@H](CCCCC1CC1)c1csc(C2CC2)c1	2248057162	ULURMAMKUSJICA-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CC(C)=CC[C@H](N)c1cc(C)c2sccc2c1	2248577659	KWHJDFRGWLRYFH-AWEZNQCLSA-N	245.391	4.566	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CCCCC[C@H]2C[C@H]2C)C1	2248819419	JZVWXGJDTUBUJA-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(O)CCCC1(C)C	2248869836	KDBPYPNCNSLZDI-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CC(C)(C)CC1=O	2248880035	PWUICYIJTORCGB-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cccc(C2CC2)c1	2250354371	CQZOLIYLKUIRCV-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)C1=CC[C@@H](CC)CC1	2250361519	NKYSADJFPKOYAP-YCPHGPKFSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(CO)C(C)C	2250487994	HYBVBMHBDAABBN-JKSUJKDBSA-N	242.447	4.884	0	10	BJAE	
CC[C@@H](C)CCNCC[C@@H](C)CCCC(C)C	2250528817	OFAMGGADQWNNPW-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@H](CC[C@]12CCC[C@@H]1CC2)NCC	2251191040	ZARZRBFFPXLKOQ-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@]12CCC[C@@H]1CC2	2251211311	KMCPUHRNZKTMDI-BZUAXINKSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](CCCC2CC2)C1=O	2251707520	MFYYSOLSDXJWQH-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1ccc2ccsc2c1	2253053438	IPQYWLGTXTVPML-XHDPSFHLSA-N	247.407	4.727	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@H](N)C2CC3(CCC3)C2)C1	2253935838	PTRKOQJVOHBUJY-LZWOXQAQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC=C2CCN[C@H]2C(C)(C)C)C1	2254000270	CRCVSYALZYPUFW-IJEWVQPXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C1C[C@H]2CC[C@H](C1)C2	2254582090	QZARHCCPJDPCPT-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCc1occ(C)c1C(=O)CCCC[C@H]1C[C@H]1C	2254582526	RVXALMSRISUGML-YPMHNXCESA-N	248.366	4.550	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@H]2CCC2(C)C)c1	2254932067	JYYKZXFQWCLMRJ-CQSZACIVSA-N	244.378	4.621	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)C[C@@H]1CCC12CCC2	2255018013	NRMKDCDGTBCESZ-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1CC1(CNC2CC2)CCCCC1	2255025311	PKNHONHYEMEHIY-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccc(O)c(CC2=CCCCC2)c1	2255175243	GCHMRXSNLHQZCA-UHFFFAOYSA-N	244.378	4.733	0	10	BJAE	
C1CCCC(CCN[C@@]23CCCC[C@H]2CC3)CC1	2260546505	ODXABHOPIHDDCU-DLBZAZTESA-N	249.442	4.659	0	10	BJAE	
CCCC[C@@](C)(N)c1cccc(C2CCCC2)c1	2260666173	BLHYFVXPUNBRAG-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
C1=C[C@@H](CNc2cccc(C3CCCC3)c2)CC1	2260726850	HQWOXJYTHQQGQD-CQSZACIVSA-N	241.378	4.722	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2cccc(C3CCCC3)c2)C1	2260731275	VMAABZSODYENDY-DYVFJYSZSA-N	243.394	4.945	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@H]1CCC[C@@H](C)C1	2300503238	JXXPSWCJYPCCQE-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)Cn1c(C)cc2cc(F)ccc21	2301586599	UYQBGZJIIFGTQP-LLVKDONJSA-N	233.330	4.525	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)[C@@H]1CCCC(C)(C)C1	2301961781	NPHDMNWTXUZOBM-BFHYXJOUSA-N	238.415	4.700	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CC(C)(C)[C@H]1C)CC(C)(C)C	2302165014	XBTACBPULVQDLL-AGIUHOORSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCC(C)(C)C(=O)C2)C1	2302760930	NAABOTZRRXZTPW-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCC[C@H]2C[C@@H]21	2302851087	ZIKDFHRKJGFCPH-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCc1cscc1NC1CCC2(CCC2)CC1	2302889892	OVVWDYZKOYSSEL-UHFFFAOYSA-N	249.423	4.835	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@@H]1CCC(C)=C(C)C1	2303576054	RUSLVHNJICJJQH-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CCCC(N)(CCC)CC[C@H]1CCC(C)(C)C1	2304435336	NJMDNZJAGCBURV-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@](N)(CC[C@H]1CCC(C)(C)C1)C1CC1	2304437143	WCVGXEMUYOHAGA-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
Cc1sccc1OCc1cccc(C(C)C)c1	2307207715	XNNMLOGYFDZFTA-UHFFFAOYSA-N	246.375	4.759	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@](O)(C1=CCCCCC1)C2	2308396953	HNSLZCQHXWVRHL-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
c1cc(N[C@H]2CCC[C@@H]3CC[C@H]23)cc(C2CC2)c1	2309517636	ILOJOSBIQBTPJD-COXVUDFISA-N	241.378	4.555	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)CC[C@H]2CCCC[C@H]2C1	2310426565	FZSXNCMUHASRIE-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](C[C@@H]2C[C@H]2C2CCCCC2)N1	2311571553	JXVBPNSNEUJPHE-QZWWFDLISA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311609777	OQSWWQAUPFIZAO-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC[C@@]23CCC[C@@H]2CC3)CC1	2313316694	KYMVZQLAOXIIEW-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
c1cc(N[C@H]2CC[C@H]3C[C@H]32)cc(C2CCCC2)c1	2313355179	SAEOAPZPOGGTMZ-UAGQMJEPSA-N	241.378	4.555	0	10	BJAE	
CCC(C)=CC[C@H](N)c1ccccc1C(C)(C)C	2316503941	RZCHLCAZJDVCOV-INIZCTEOSA-N	245.410	4.730	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1C[C@H]2CCC[C@H]1CC2	2316868824	BELGXTYIHWMARR-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
NC(CC1CCCCCC1)(C1CCC1)C1CCC1	2316880483	JYPHIQYVXXHBQU-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317123001	ZYAJMJGWHRPLAY-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC(NCCCC2=CCCCC2)CC1	2318531846	QBUIGGXOYXTDLF-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(CCCC2=CCCCC2)C1	2318546230	QJCNBPLRUGLSDB-SCAQPMJSSA-N	249.442	4.811	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)CCC1CCCC1	2318575601	HARIHVZKPZLWJF-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNCCCC1=CCCCC1	2318575719	IKRKAWNOOCKNSF-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)C1CC(=C2CC2)C1	2318581547	XSYLFBGHBIINTN-KRWDZBQOSA-N	246.394	4.518	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1CCC12CCC2	2318595167	NCOIYCVZWRGCIM-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)CCC2=CCCCC2)C1	2319109062	VSXSIAXAXMLHAM-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)CCC(=O)Cc1ccccc1C1CC1	2319147824	PVXUAZADPSEHAS-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1CC[C@@H]1C1CC1	2319543307	YEGIJWYDXMWYOQ-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](Nc2ccnc(C(C)C)c2)CC1	2320397764	NPNLCEWTIXFMJV-CQSZACIVSA-N	244.382	4.506	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@@H]2CCC[C@@H](C)C2)CC1	2320417964	ZWBMPGIJMYHWAH-KBRIMQKVSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@]23CCC[C@H]2C3)CC1	2320423365	LUTAKTAJHXUBSU-HLLBOEOZSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)([C@H](CC2CC2)C2CC2)CC1	2320765600	MWPLGSBUTKZVRR-XYPHTWIQSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(O)cc(-c2cc(C)ccc2C(C)C)c1	2327673982	VWHVXPQSUDXAGM-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@H](C)c1ccc(C)cc1	2328279662	XRRPPZKOBHOXLM-HLLBOEOZSA-N	248.410	4.676	0	10	BJAE	
CC(C)CP(=O)(CC(C)C)C1CCCCC1	1756218	MOOFHECWEJGWPT-UHFFFAOYSA-N	244.359	4.994	0	10	BJAE	
CC(C)CCCCCCN[C@H]1CCCC[C@@H]1C	20002178	UFHOQQTWEKTGEE-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(=O)c1ccc(CC2CCCCC2)cc1	32101876	RROMMCJDLDBGKX-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(C)(C)c1cc(S)cc(C(C)(C)C)c1	34368232	IVZUKFYFBUPLRZ-UHFFFAOYSA-N	222.397	4.570	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)C1CCCCC1	37318108	YDKALVQVROQCSU-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)c1ccc(CC)s1	50402613	IZLJCYFMUDUIKX-RYUDHWBXSA-N	239.428	4.540	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)c1sccc1C	69636385	RVOFKBGCSGUQDV-STQMWFEESA-N	239.428	4.676	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC1C[C@@H](C)C[C@@H](C)C1	84974145	GINYFYJRKXBWSL-KRMXURRVSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H](CC)C2CC2)cc1	86116848	QIXNNMDYOGZEHV-MLGOLLRUSA-N	231.383	4.801	0	10	BJAE	
CCCNC[C@H](C[C@H](C)CC)c1ccccc1C	93106742	SZSRKUKAMXFRAA-ZBFHGGJFSA-N	247.426	4.514	0	10	BJAE	
CCCCCCNCc1ccc(CC(C)C)cc1	94895959	YYAHXCKNRCZJAO-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
CC/C=C\C[C@@H](C)c1cc(Cl)ccc1OC	107581347	BQAFMIJLVXFPMJ-ISALQUGTSA-N	238.758	4.808	0	10	BJAE	
CCCCCOc1ccc(NCCC(C)C)cc1	107793017	XWDQLTSZNXFKMF-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)c1ccccc1	109724425	WHMGCMYPPDIWAX-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
CCCCc1ccc(-c2cc(C)ccc2N)cc1	109774314	KASLLNNNQUFOCY-UHFFFAOYSA-N	239.362	4.587	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@@H]2C[C@H]2C)c(C(C)C)c1	109787848	ZBVGOEJHBDUNCZ-CSMYWGQOSA-N	246.394	4.623	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)C(C)(C)C	112867659	LPESGNXYKSGZRK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@@H](CNC(C)C)C1CCCC1	128260298	PUJGDHWMEXQXQH-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCNC1CCC2(CCCC2)CC1	129494864	IFOXVIKWXOXLRO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@@H](CNC(C)(C)C)C(C)(C)C	166102092	ACUBIOBRNMBXPL-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@H](NC2CCCCCCC2)C1	221625079	CQKVTLREYBLNSN-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CCc2ccccc21	225985704	YNWGWPWFZORVFF-WBVHZDCISA-N	245.410	4.622	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCC[C@@H]1CC	225990338	WDYDVNBLVYLCKY-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@H]1CCCC1(C)C	226563902	JHNWUYBUJHNVCF-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
O=C1CCCC[C@H](c2ccccc2C2CCC2)C1	229634160	PBAGQMFPCDCCMT-AWEZNQCLSA-N	242.362	4.571	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H]1CNc2c(F)cccc21	232785566	QGBOFSIREPXIGZ-STQMWFEESA-N	247.357	4.551	0	10	BJAE	
CCCC(CCC)[C@H](N)C1=CCCCCCC1	232911418	UXFWVBZAOYGLLR-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCCC[C@H]1C(C)C	250780763	SEDAEQZHDVUYQM-BPUTZDHNSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@@H](C)[C@H]1C	253624134	IQRAYEPKCZTPNH-QKPAOTATSA-N	239.447	4.760	0	10	BJAE	
CC[C@]1(CCCC(C)(C)C)CCCCCN1	300793303	CTSBFVAZLYFQIK-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1ccc2ccccc2c1	302320111	JOAGHAMEDGAAJS-GUYCJALGSA-N	242.362	4.555	0	10	BJAE	
CC(C)C[C@H](C)Cn1ccc2ccc(Cl)cc21	302355600	NHLPVWZYSPIYCO-LBPRGKRZSA-N	249.785	4.977	0	10	BJAE	
Cc1ccc2ccn([C@@H](C)CC(C)C)c2c1	304331716	AKZONONDGXZHAF-ZDUSSCGKSA-N	215.340	4.557	0	10	BJAE	
C[C@H](CNc1cccc(Cl)c1F)C(C)(C)C	304345720	WHHMGEKEMDPWDN-SECBINFHSA-N	243.753	4.573	0	10	BJAE	
Cc1cc(C(=O)C2(CC(C)C)CCCC2)oc1C	305998368	KLICOXGKLBYNCO-UHFFFAOYSA-N	248.366	4.686	0	10	BJAE	
CSc1sc2ccc(S)cc2c1Cl	307335062	CAHBBYQEBZSJDV-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CC1CCC1)NCC	308046473	HOHPHGKLSIZCRX-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCCF)[C@H](CC)CC(C)C	308055110	BQZVKVLTZQMCBU-CABCVRRESA-N	245.426	4.567	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1ccccc1Cl	308061046	ZDRSVWCWTKQMAG-LLVKDONJSA-N	238.758	4.595	0	10	BJAE	
CCCCC[C@H](NCC)[C@H](CC)CC(C)C	308092206	IOTQMGBCDIXVEK-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@H]1CCCC1(C)C	311121028	XNYXTUFPXNZUAF-HZPDHXFCSA-N	246.394	4.670	0	10	BJAE	
CCCCC1CCC(CO)([C@@H](C)C(C)C)CC1	319367863	PNQDXIWSCBNYCZ-FHERZECASA-N	240.431	4.638	0	10	BJAE	
CCc1cccc2ccn([C@@H](C)[C@H](C)CC)c12	319704350	YGEBMRUHTQVCIM-OLZOCXBDSA-N	229.367	4.811	0	10	BJAE	
CC(C)[C@@H](C)C(=O)C1CCC(C(C)(C)C)CC1	320084079	OOMWXGNPNBNDLW-IYXRBSQSSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](N[C@@H](c1ccccc1)C(C)C)C1CCC1	322482814	USWNRPMJOYQGIT-IAGOWNOFSA-N	245.410	4.552	0	10	BJAE	
CCCCC1CCC(N)([C@@H](C)CC(C)C)CC1	379956777	KCOBWGUFTUBJBO-FHERZECASA-N	239.447	4.747	0	10	BJAE	
CSc1cccc(N[C@H]2C=CCCCCC2)c1	383128492	PRLGWPZMAZOXMG-ZDUSSCGKSA-N	247.407	4.709	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@H](C)[C@@H](C)C1	383602651	ZWDGNURAPGFCJD-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCC/C=C(\CCCC)c1ccccc1O	383705960	ALYPNFOVSAOYOX-UKTHLTGXSA-N	218.340	4.766	0	10	BJAE	
CCC1CCC([C@H](O)CC2(C)CCCC2)CC1	383797813	SGULBSJCMZDFAW-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1ccc2sccc2c1	386308297	LLOWJUQGBLUKRG-SMDDNHRTSA-N	247.407	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CC1CCCCC1	386599828	KYWCTAGAIRWUDZ-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@@H]2C[C@@H](C)[C@H]2C)cc1	386802257	MUMLIBACUCXBCB-VWPFQQQWSA-N	245.410	4.505	0	10	BJAE	
CCCC1(CN[C@@H]2CCCC[C@H]2CC)CCC1	391808068	LUQARMOOPJUBLT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)[C@@H]1CCCCC1(C)C	393920633	GFZHHAKDRANTDJ-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1C[C@H]2C=C[C@H]1CC2	402239050	ZPJXMALYAVRYET-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
C/C(=C\Cl)CNc1ccc2c(c1)CCCCC2	404726011	XNNDCCZVHJCEKO-ZRDIBKRKSA-N	249.785	4.510	0	10	BJAE	
CCC1([C@H](O)CCC(C)(C)C2CC2)CCCC1	406036407	QFAHAUIEFCQTHB-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
FC(F)c1cccc2cc(C(F)(F)F)ccc12	514255735	CXBCCICTOFQSFI-UHFFFAOYSA-N	246.178	4.796	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)c1cccc(C(C)C)c1	688923690	DQHUYYPZRXHYQL-GJZGRUSLSA-N	247.426	4.692	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](O)c2cccc(C(C)C)c2)C1	688950518	MEMKDWHDUURSHX-XOKHGSTOSA-N	246.394	4.670	0	10	BJAE	
CC1CCC(C[C@H](N)[C@H]2CCCC3(CC3)C2)CC1	695982704	GOBKATDKNBWDAK-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2C=CCCCCC2)CC1	697620018	GBKCQZOLDHSEKT-HZPDHXFCSA-N	249.442	4.824	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H]1[C@H]2CCCC[C@H]21	697775754	VWTOQVGOGDJULR-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)CC2CCCC2)C1(C)C	699086902	PXFIUBZXZYDFFN-WBMJQRKESA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](O)(C1CCCC1)C(C)(CC)CC	701049166	XWQGVANAAURERE-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@]1(C)CC1(C)C	702187890	SRDORTGWXLFLFI-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](c1ccc(C)cc1C)[C@@H](C)CC(C)(C)C	704729855	PWPVVUCBYCJORJ-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H](N[C@@H](C1CCC1)C1CC1)C1CCCCC1	705355864	QTCMSOXQTLUYMM-SJORKVTESA-N	249.442	4.514	0	10	BJAE	
CC(C)CC[C@@](C)(N)c1ccc2sccc2c1	707672190	UBODOXKIWWDNCW-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)(C)C)[C@H](C)C(C)(C)C	709087155	KORSNXAOMSFFJT-HZSPNIEDSA-N	241.463	4.719	0	10	BJAE	
C[C@@H](CCC[C@H](O)C(C)(C)C)CC(C)(C)C	709097418	NKOMORHRFDDKBO-STQMWFEESA-N	228.420	4.636	0	10	BJAE	
CCC[C@@](O)(C[C@H](C)CC(C)(C)C)C1CCC1	709129804	IADNLAVUTZIPMP-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)[C@]12CCCC[C@@H]1C2	709135593	VLCHYPISQGHQEW-XJKCOSOUSA-N	247.357	4.515	0	10	BJAE	
CCCN[C@H](C[C@H](CC)C(C)(C)C)[C@H](C)CC	711185466	SKRPENJDGROBQB-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC1(CN)CCCCCCC1)C(C)(C)C	711221927	AXRYJNMSHVLLCI-CQSZACIVSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@@H](C)C1CCC1	713142952	KDMGFNFAPZURRJ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)C1CCC(CC)CC1	713749361	VMJWWZDJXYGWPS-ZVDQRRRGSA-N	249.442	4.703	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1cc(C)c(F)c(C)c1	718566555	GRJUKZDPINNVMG-HNNXBMFYSA-N	249.373	4.579	0	10	BJAE	
CC(C)=CCCc1ccc(Cl)c(Cl)c1O	718618540	MCDUFZPFHDWJCQ-UHFFFAOYSA-N	245.149	4.598	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CCC(C)=C(C)C	718638362	WTEUAJCXISCFKQ-JKSUJKDBSA-N	240.431	4.946	0	10	BJAE	
CC1(C)CC(COc2ccc(C(C)(C)C)cc2)C1	723558058	SLMQUFFAHQKIDJ-UHFFFAOYSA-N	246.394	4.799	0	10	BJAE	
C[C@H]1CCC[C@H](CCSC2CCCC2)C1	1307252567	GVCHDNCJDGURJW-QWHCGFSZSA-N	226.429	4.879	0	10	BJAE	
C=C/C=C\CCN1CC[C@H](CC(C)(C)C)C1(C)C	1460226632	YUAZGOSBHKAUBK-WHLNPGIBSA-N	249.442	4.655	0	10	BJAE	
C/C(=C/Cl)CSCc1cc(C)cc(C)c1	1643879784	CMNQGTMSMLLUBY-GHXNOFRVSA-N	240.799	4.679	0	10	BJAE	
CCC[C@H](CCCCC(CC)CC)NCC	1900702491	PFQCAWAXMRJMDM-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCc1cscc1NC[C@H]1CCC[C@@H](C)C1	1902376486	IWYFPODIOCIGMB-NEPJUHHUSA-N	237.412	4.549	0	10	BJAE	
CCCCCCC(=O)[C@H]1CC[C@@H]1C(C)(C)C	1902731754	OCZYLVARAKMNNJ-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](CCC(C)(C)CC)NCC	1910617501	ICHFVXGKIYIUDS-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@@]1(CNC(C)(C)C)CC[C@@H](C)C1	1911922458	KMAXZPOVODLRLT-NVXWUHKLSA-N	249.442	4.703	0	10	BJAE	
C=CC=CCC[C@@H](N)c1ccccc1C(C)(C)C	1912110501	SHXJDOJPYJBVRI-MRXNPFEDSA-N	243.394	4.506	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)C1CC2(CCCCC2)C1	1912725562	CTJYNFJRHHZOPW-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(CNC2CC3(CCCC3)C2)CC1	1912729338	IDBUVVGBGJBNHE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CCCCC2)C1)C1CCCC1	1915872687	TYVZQOKGNHBDRN-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@](O)(CC)c1ccc(C(C)C)cc1	1919516294	URIOYFCJAKVYNS-INIZCTEOSA-N	234.383	4.598	0	10	BJAE	
CCC(C)(CC)[C@@](O)(CC(C)C)c1ccccc1	1920040683	KNEGZFFBGSCBNN-QGZVFWFLSA-N	248.410	4.747	0	10	BJAE	
CCCC1CC([C@H](CCCC(C)(C)C)NC)C1	1921302493	RIHOOYQEHQEYIF-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)[C@]1(C)CC1(C)C	1925890893	HSTUTXIBNPHTQJ-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC(=C2CCC(C)(C)C[C@H]2CN)C1	1927147777	QDQQGYXHAJREMT-HIFRSBDPSA-N	249.442	4.668	0	10	BJAE	
CC(C)CC[C@H](C)Oc1ccc(Cl)cc1	1928731985	ZCXKTQGLTCYYQP-NSHDSACASA-N	226.747	4.544	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC2(C)CCCCC2)C1	1940409895	ZKSTZBZXCQSEAN-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)CC(CC)CC	1940796688	IWUVGKGCJLAKMC-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](CCC[C@@H]1CC1(C)C)NC	1940877652	QUTPJLWCROZJGK-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCC[C@H]2CC2(C)C)C1	1940881978	OBUFJCKKWRBZOP-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCNCC(CC)(CC)[C@@H](C)CCC(C)C	1942654666	CDCLDOPARCUIMQ-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@@H]1CCC(C)(C)C1	1945594192	STIBVPHFNISAPB-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](O)c1cccc2sccc12	1945956969	GWRDIAYVWZPVHZ-CQSZACIVSA-N	248.391	4.905	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc(C)cc1C	1947460861	LMHRGYWDGZZGHE-HOCLYGCPSA-N	231.383	4.684	0	10	BJAE	
C[C@H]1C[C@@]1(C)CNC1CCCCCCCCC1	1947867287	TWQAXOCZJRNNNA-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCC(F)(F)CC)CC1	1947890935	SHCTWEJXRSMVPA-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C1=CCCCCCC1	1948950601	HGYJWNGFKKCIDX-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCCCC12CCC2	1949045298	NQPAUXLOXOUXNP-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)CCCC1(C)CC1	1949055679	RVQPRFAJHQCBPZ-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCCCCC(=O)C1CC2(C1)CC(C)(C)C2	1950936745	VYQXXQMEXJGXEI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)NC[C@H](C)C1CCCCC1	1963229848	UXHSVJAKQUVBFR-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1cccc(C2(C)CC2)c1	1967833063	XEUNRJNFLRDQFM-ZDUSSCGKSA-N	243.394	4.729	0	10	BJAE	
CCc1cccc(OCC[C@@H]2CCC[C@H](C)C2)c1	1968357097	CCJBQWZQYCXAHM-HOCLYGCPSA-N	246.394	4.844	0	10	BJAE	
Cc1cccc(OCC2C[C@@H](C)C[C@H](C)C2)c1C	1968364246	ISQYCIZWKCKLPE-STQMWFEESA-N	246.394	4.755	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2[C@@H](C)[C@@H](C)CC[C@H]2C)c1	1968597380	ZDFUHWNCQDWJDE-RSUWNVLCSA-N	249.373	4.617	0	10	BJAE	
CCCCC1CC(N[C@H]2CCCC(C)(C)C2)C1	1969843543	CPFRJJZZGSODNC-SLTAFYQDSA-N	237.431	4.514	0	10	BJAE	
C[C@H](NCc1cccc(C(C)(C)C)c1)C(C)(C)C	1969943642	GTVXEZAWRSUYNU-ZDUSSCGKSA-N	247.426	4.508	0	10	BJAE	
Cc1cc(O)cc(-c2ccc(C3CCC3)cc2)c1	1970535190	FTWWJHOGQSZSLW-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
CCCC[C@@](C)(CNCCC)C(CC)CC	1978647141	HAYSQCHSHZRUPV-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCCC(CCC)CNC(C)(C)C(C)(C)C	1981287834	CXEVKSVWXDXEJO-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
C/C=C/CCCc1cccc(CC(C)C)c1	1984606178	KOKOQYARNLSFPN-SNAWJCMRSA-N	216.368	4.784	0	10	BJAE	
C/C=C/CCCCc1nc2ccccc2s1	1984608848	VTHJNFPHJXVOHV-NSCUHMNNSA-N	231.364	4.585	0	10	BJAE	
CCCCCCNC1CC(CCCCC)C1	1984692881	VNBZXTWTLXVKRG-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@H](C)CC(C)C	1986944111	OUYANZGHWJMFBV-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1CCC[C@@H](C)C1	1990092052	UVBWWMDWIBHUDM-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)CN(C)[C@H](C)CCC(C)C	1990901961	ZDGRZLUOGYGRAG-CQSZACIVSA-N	227.436	4.569	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CCC1CCC1	1995259107	KGCOZDAYWABCDA-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@](C)(N)CC2CCCCC2)C1	1996250571	QFCPJXDPLNQUNQ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(C1CCC(C)(C)CC1)[C@@H](C)C(C)C	1996561203	KTHQDRIMUGSPTC-XJKSGUPXSA-N	240.431	4.636	0	10	BJAE	
CCCNCC(CC)(CC)[C@H]1CCC[C@@H](C)C1	2000499058	GUSNBFSADZYJRY-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2000830313	QPCFGIXUEKUTCU-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@H]1CCC(C)(C)C1	2000907249	VNKVNTZPBFUKGD-HNNXBMFYSA-N	239.447	4.712	0	10	BJAE	
CCC[C@H](CC[C@H]1CC12CCCCC2)NCC	2001215084	GZXYUCOXRSVDOJ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](CC)(CNCC)C1CC(CC)C1	2002347281	AWYFDTGCTWCMCQ-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)[C@](C)(O)C1CCC(C(C)C)CC1	2002923234	DWPNVUIXPFEKHC-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CN(C)[C@@H](C)C1CCC(C)CC1	2002962595	WNYMIYPSLFLDEQ-BBBYJDLNSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C2CCCCCC2)C1	2002997429	CNAKESSDODUCTL-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CNCCC12CCCCCCCC2	2003094505	FJWDFYACXJGUGE-HNNXBMFYSA-N	237.431	4.517	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CC1(C)CCCC1	2003180207	YIKGJMSBQKZVMI-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@H]1CCC2(CC2)C1	2003198177	QATXQPSXEGAMPE-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CCCCCCNCC1(C)CCC(C)(C)CC1	2007682263	XKEUKHWSQFDZKQ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C[C@](N)(C=C1CCCCC1)CC1CCCCC1	2007965488	DUSZUWRNCQFHGC-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC=CCCCN[C@@H]1CCC[C@@H](CCC)CC1	2009594534	RZRWQQYUHRHVJS-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](CC)C[C@@H](NCC)C1	2009617251	QMIMJNKGSPLZGQ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N(C)CC(C)(C)CC)C1	2009781271	JJVPMNJCLFAGSW-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)c2ccsc2)CC1	2010717397	YLHWSSOOWHWPLG-KGLIPLIRSA-N	249.423	4.521	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(O)[C@@H]1CCC1(C)C	2014895529	GKUQHEACLWWGIE-XJKCOSOUSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](CC(C(C)C)C(C)C)[C@@H](C)CC(C)C	2015290076	HIIDGYAQLWVCGS-HOCLYGCPSA-N	241.463	4.575	0	10	BJAE	
Cc1ccc(OCCC(C(C)C)C(C)C)cc1	2015386007	AHUOUMKWNBDYLW-UHFFFAOYSA-N	234.383	4.692	0	10	BJAE	
CCCC1(C[C@@H](N)CC2(C)CCCC2)CCC1	2015643456	CDXJILHIGWHDCG-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1c(C)cccc1F	2016142816	BMDOAICRVHXENP-CYBMUJFWSA-N	235.346	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H](C)CCC=C(C)C	2016150093	PUSSXQNPASMUDY-BZUAXINKSA-N	237.431	4.680	0	10	BJAE	
CC[C@H](C)CCN(C)CC1(C(C)(C)C)CCC1	2017124360	SRQMZRDQIAWJME-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CC1(NCC2(C(C)(C)C)CCC2)CCCCC1	2017143132	KHYRFZWBCGZPNP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C(C(C)C)C(C)C	2017492277	WUXGXPGHFXAYNI-INIZCTEOSA-N	239.447	4.639	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(O)[C@H](C)CC)CC1	2017651372	SNPZOKQMDWWDFE-FPCVCCKLSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@@H](C)CC(C)(C)C)C1	2019199258	DBMQQJXXYJROQD-ZNMIVQPWSA-N	239.447	4.712	0	10	BJAE	
CC(C)CCCCCN1C[C@H](C)C[C@H](C)[C@@H]1C	2019341435	ANIVHFSODMCCKA-PMPSAXMXSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H]([C@H]2C=CCCCC2)C1	2019535665	HZUYAEOHJMMTSL-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
C[C@H]1CCC[C@@](O)(CCC2=CCCCC2)CC1	2019783476	YVOAGDQQNPQUIC-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@H]1CCCC(C)(C)C1	2024095209	PWQDHOSFGGNXKV-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@@H]1CCCC(C)C	2024125469	SEVKDMQKANIWSD-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2CCCC23CC3)n1	2026528010	ZJKPBCBSIURGRH-AAEUAGOBSA-N	249.423	4.779	0	10	BJAE	
CCCN[C@@H](C)CCCc1ccccc1C(C)C	2027498466	GGTPLSHJJMKYSS-HNNXBMFYSA-N	247.426	4.521	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)CC1CC=CC1	2027813785	ZECGUBNVPDEPNF-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1[C@@H](O)[C@@H](C)CCC(C)C	2029822601	BXLINWQSJKVNEW-YOEHRIQHSA-N	248.410	4.745	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC2(N)CCC3(CC2)CC3)C1	2031817988	OZMLQLKDDOQILL-FICVDOATSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2[C@@H]3CCCC[C@@H]23)CC1	2032817437	ULZDKFRPAPGOTK-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCCNC1(C2CCCC2)CCC1	2033055176	IXMKVLMQZJDBNX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
NC1(CCC2CCCCC2)C[C@H]2CCCC[C@@H]2C1	2034155606	DWHRBAGQKOTWBI-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@H]1C(C)C	2035401733	YZZHYRAMYNJRII-JKSUJKDBSA-N	245.410	4.794	0	10	BJAE	
CCCNCC1(CC2CCCCC2)CC2(CC2)C1	2036187196	ADSTYMNQBHLCHC-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](NCC1CC(C)(CC)C1)c1ccccc1	2036477871	QEXSLTCMMSCDAE-ARWYELJZSA-N	245.410	4.554	0	10	BJAE	
CCCc1ccc([C@H](N)C2(CCC)CCC2)cc1	2037053950	HDJBHFMQDPLNCG-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CC1(C)CCCC[C@]1(N)[C@H]1CCC2(CCCC2)C1	2037572739	BMWCNGNDJZWCPJ-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCCC1CC1)CC1CC2(CCC2)C1	2037974386	KZWXOVPSFLVMRE-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2CC3(CCC3)C2)CC1	2038090919	WRQOFZDVVLOXFA-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCC1	2038548239	GJHATSWGCSEVIF-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(N[C@H](C)C2(C)CCCCC2)c1F	2039862727	QKUUCJXGURTIPI-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
C[C@@H](NC1CCCCCCC1)C12CCC(CC1)C2	2039866598	ZSPVSNNAXDAABB-HPUBIQBYSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](Nc1c(C)cccc1F)C1CCCCC1	2040684709	VGDCUNNMAAGGNO-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@@H]1C=CCCC1	2043187204	KCMVUSQSUNKLCP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1CCNC1CC2(CCCCCC2)C1	2046233192	JQDIXBKQUDUYIF-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC1CC2(CCCCCC2)C1)[C@H]1CC1(C)C	2046235505	MAJTXCLWXHDBEQ-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CN(C[C@@H]1C=CCCC1)[C@H]1CCCC(C)(C)CC1	2046561677	IZDYXFWVCKHDCZ-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CCCCN(CC[C@H]1CC1(C)C)c1ccccc1	2046579217	NONQEIYWTDMLIX-HNNXBMFYSA-N	245.410	4.729	0	10	BJAE	
CC(C)C(=C[C@@]1(C)CC=CCC1)CNC(C)(C)C	2047680712	GCGUKGSEIPPWFB-KRWDZBQOSA-N	249.442	4.703	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@@H]1CCC12CCC2	2047929421	QPUYGIDADSTYIR-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@]1([C@@H]2[C@H]3CCCCC[C@H]32)CCCCCN1	2049226213	XAZGXDQUYNDSMI-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CCC([C@](C)(N)C2=CCCCC2)CC1	2049411304	HHCUBFBXMKPWKW-BDVYOWHSSA-N	249.442	4.667	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CC2)C1)[C@H]1CCC[C@@H](C)C1	2049539778	JADJMYGNDGVMMB-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@@]1(C)C=CCCC1	2049996236	FPIYKHRVYDMFLS-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CCC([C@@H](N)[C@]2(C)C=CCC2)CC1	2050001611	ZTUYXZQCKXVTML-OCUYMYNFSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@@]1(C)C=CCC1	2050006023	KFGPOHKSTQUKCE-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@]1(C)C=CCC1	2050007189	CYYQBBWLPLMIQF-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC=CCCC[C@H](N)c1cccc2ccccc12	2059206343	LBDDNQZGFPNXBW-KRWDZBQOSA-N	239.362	4.586	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1ccccc1C(C)(C)C	2059223648	PVQAAOVQVIEQTE-SQRWCISFSA-N	246.394	4.764	0	10	BJAE	
CCCCCC1CC(NC[C@H]2CCC3(CC3)C2)C1	2059391539	DGGQCYREICZWFQ-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC(N[C@H]2CC(C)(C)CC3(CC3)C2)C1	2059493657	XOWOFXBGZHBVBB-NRXISQOPSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C)[C@H](CC1CC(=C2CC2)C1)C(C)C	2061739472	NYIXEEDNTXZGQR-CXAGYDPISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@]1(CNC1CC1)C1CCCCCC1	2068233365	NNJZGZXIPZEMOZ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1(CC2CC2)CCC1	2069503025	DCXCASGORWBNMD-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC1CCC1)C1(CC2CC2)CCC1	2069512154	ZJAJAVQLOWKOKG-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C1(CC2CC2)CC1	2069512786	FXWKBHSLNATFFG-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)C1(CC(C)C)CC1	2069515015	VTUQNOXQZYNQLD-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](Nc1cccc(C2CCC2)c1)C1CC=CC1	2070808512	RGVPANZVTKXOTH-CYBMUJFWSA-N	241.378	4.721	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC1(N)CC2(CCC(C)(C)CC2)C1	2070975787	NCPOYJXIDJUUAU-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)C1CCCCC1	2071182352	COHDJLUNZNKDOP-VNHYZAJKSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(CC(=O)C2(C3CCC3)CC2)CCC1	2071917140	HYFQVJRFUUCQEM-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C=CC=CCC[C@H](NCC)C1(C(C)(C)C)CCC1	2071930251	KLHISOWEFRHHEE-HNNXBMFYSA-N	249.442	4.703	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2072871519	PTECORFHPBQWCF-SVXVCFNTSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C=C1CCNC2(CCCC2)C1)CC	2074135275	UKAICZXUEGJVHM-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
CCC1CCC(N2CCCCC3(CCC3)C2)CC1	2074858075	XPIABODXTZLJGE-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCN(CCCCc1ccccc1)C(C)(C)C	2074992640	OAWQQSSOGPWSAT-UHFFFAOYSA-N	247.426	4.520	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccccc2C2CC2)CC1	2077262345	RQJSYTBTWTUDGJ-UKRRQHHQSA-N	243.394	4.945	0	10	BJAE	
CC[C@H](Nc1ccccc1C1CCC1)[C@H]1C[C@H]1C	2077264701	YRHIUSGBDDRLQS-KCXAZCMYSA-N	243.394	4.801	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1C[C@@H]1C1CCCC1	2079436138	SOWLOXKDMILRBQ-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2C[C@@H]2C2CCCC2)CCCCC1	2079839969	YZDUGKDWVIVNAS-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2C[C@@H]2C2CCCC2)C1=O	2079866386	RIKNRZNGOQVSNH-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)CCC[C@@H]3CCCC[C@@H]32)C1	2081118551	NJNQTSGVVRSXJC-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC(F)=C2CCC2)cc1	2081595605	XVJYMHSXOBLJGP-GFCCVEGCSA-N	248.341	4.986	0	10	BJAE	
CCCNC[C@]1(CC=C2CCC2)CCC[C@@H](C)C1	2081676605	WHJGQCFUNUDZRG-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CC=C(CC)c1cc([C@H](C)NCCC)ccc1F	2084708645	BZMVNBFGOCNOBL-LBPRGKRZSA-N	249.373	4.700	0	10	BJAE	
C[C@@H](N[C@H]1C[C@H]2CCC[C@H]1C2)C1CCCCCC1	2086155342	CAWIVPWURYPMET-OHFALNGGSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@H](N)CCCCCCCC1CC1	2210527656	UUSVKFSGXBCRRE-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CC[C@@H](CCCCCCC2CC2)CN1	2213576164	NJPCPIXZLGLSCO-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CCCCC1CC1	2214570820	UYDDGFORYQTBJY-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC[C@H](N)C1CCCCC1)CC(C)(C)C	2214765248	HPJYXMXMLQKFLV-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)C1(C)CCCCCCC1	2215104220	FQFJJBOZCFHKCR-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CC[C@@H]1C[C@H]1CC)NCCC	2215258561	VJIJYVKRTXTERG-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CNC[C@@]1(CCCC(C)(C)C)CC=C(C)CC1	2215833237	FVRLCTSEQQURAZ-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCC1(NCCCCCCCC2CC2)CC1	2216860113	LVHQSEAVSZYEJM-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC[C@H](C)NC[C@]1(CCC(C)C)CCC1(C)C	2217139112	RQXZSAHVGNIUFV-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)C1C[C@H]2CCC[C@H](C1)C2)C1CCC1	2218334881	OEECNUMOKNECOB-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CC(=CCCCCCC1CC1)C[C@@H]1CCCCN1	2218724147	IETSHTWFZCWVPT-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(F)cc1CC/C=C/c1ccccc1	2219075958	JULVSUQZLOVLTH-WEVVVXLNSA-N	240.321	4.780	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)c1occc1C	2220026989	DQYIGAFODHRFCI-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CC)[C@]1(C)C=CCC1	2220874894	IUQRPGPWWSGXSH-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CC[C@@H](N)C1(C)CC2(CCC2)C1)C1CC1	2220999090	GLIIVFRMZLJWCG-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@@H](O)C2=CCC(C)(C)CC2)CC1	2221613262	PRZWIHLRHXDDHR-RDJZCZTQSA-N	248.410	4.620	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@H]1CC2CC1C2	2223156149	YOQKFEKCNQXOCH-SJJHQCBESA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1ccc(C)c(Cl)c1	2244781340	DPKPLTOYOAPDHH-SMDDNHRTSA-N	240.774	4.508	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C(C)(C)CCF)C1	2246670332	VKTBMPZBMPKLRE-OLZOCXBDSA-N	242.378	4.548	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@](C)(O)CC2CCC2)C1	2246696440	XMJZJUQQMHXWBB-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@H]1CCCC[C@@H](C)c1ccc(N)cc1	2247113279	CZYYYNAFHGKRLL-VNHYZAJKSA-N	231.383	4.589	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc2sncc2c1	2250386918	XWPUTRNZYIOSIZ-LLVKDONJSA-N	248.395	4.535	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1C[C@H](C)C[C@@H]1N	2250482445	UBKVRINLKHYKHH-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)CN[C@@]12CCCC[C@@H]1CC2	2251133323	GMOVEMVAHAXYRX-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CC1CC(C)(C[C@@]2(CNC(C)C)CC=CCC2)C1	2253660553	DGJZCDGAXRUESE-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@]1(C[C@H]2CCC23CCC3)CCCCCN1	2254983194	ZCYBSNVGRSVPJN-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@]1(N)CCC2(CCCCC2)C1	2255015647	SUAIEPHUSJWCTI-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2CCC23CCC3)cc1	2255020549	ZZDSPHGVPQOVKV-OAHLLOKOSA-N	244.378	4.769	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@@H](CC2=CCCCC2)C1	2255135372	BHUCISOHAUAADR-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)C[C@@H]1CCCC12CC2	2255324937	BWFYXZOZRFFTLH-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)C(=O)C1CC(c2ccccc2)C1	2259455282	RRXAUUQXJKTNEK-IUDNXUCKSA-N	244.378	4.576	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@]12CCC[C@H]1CC2	2260507016	KRKXEWTUASUITC-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC(=C[C@@]12CCCC[C@H]1CC2)c1cccc(N)c1	2260655990	FENUOKIJWHNXEI-RDJZCZTQSA-N	241.378	4.643	0	10	BJAE	
CC1CC(CC[C@H](N)CC2CC3(CCCC3)C2)C1	2261498409	XCEKUKWEKVFIOB-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CCCC[C@](CC)(CC=C(C)CC)CNCC	2300866084	WDEIIYXWTLFSFI-MRXNPFEDSA-N	239.447	4.929	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)CC1CCCCCC1	2301240817	DGLZRZYSFRUVEY-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H]1CC[C@@H]1C(C)(C)C	2303450561	UZVGVYOGSJPLSL-KKUMJFAQSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@@H]1CC[C@H]1C(C)(C)C	2303478096	NBZGIJLCSVHHHT-WOSRLPQWSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303490543	RFFMBSFSDOEMGU-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CCC(C)(C)C)CC1	2303604099	ZSXBMBWCAFCVNN-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CC(C)CC(C)(C)NCC[C@H]1CCC(C)(C)C1	2304359592	GZOCUBMAHMFDAH-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1CCCCC12CC2	2307816678	HKFGWSZNFJFYRA-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@H](C)C1CC(C)(C)C1	2307898734	MJFLRFFIQBPCTG-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)CCC1=CCCCC1	2307899944	DPLHAWRWJASJQK-GDBMZVCRSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@H]2CC[C@@H]3C[C@@H]3C2)C1	2309169664	KLWJUFBJDHNZBT-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC[C@@](N)(CC[C@@]12CCC[C@@H]1C2)C1CCCCC1	2310383325	UQSOVTXEMRMYMB-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@H]1CCC[C@@H]2C[C@H]12	2312767628	GNGLCORCNFGFAX-JRBZFYFNSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)C(C1CCC1)C1CCC1	2313597185	AHDZMUMUQSXAOV-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CCC(=O)CCc1ccc(C)cc1	2316243741	RUHYKKKNQVKDNR-UHFFFAOYSA-N	246.394	4.713	0	10	BJAE	
CCC(CC)CC[C@H](CNC)c1cccc(C)c1	2316270839	JPNQVLDIOKRWCT-QGZVFWFLSA-N	247.426	4.514	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1[C@H]2CCCCC[C@H]21	2316501231	FZQCSYUPARAEPP-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1c(C)oc2ccccc12	2316532214	MZUXIWKTFFWMCF-CQSZACIVSA-N	244.334	4.521	0	10	BJAE	
C[C@@H]1N[C@H](CCC23CCC(CC2)CC3)CC[C@H]1C	2319033306	AGONQUIUQAFHKZ-FYKOZOLNSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)C1	2319292910	KPDDTHRJCMMURI-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCC3(CCC3)C2)CC1	2320333480	HFVFQEINFVKDMU-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@](C)(N)C2CC(C)(C)C2)CC1	2320335104	UMTPGMIXUNVWAE-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N(C[C@H]2CCC(C)=C(C)C2)C1	2320346502	FSSOIFRSIJSGSQ-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@@H](C)C1CCC1	2320405645	DFIBZJSMLXPXBT-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)CC(=O)Cc1cccc(C2CCC2)c1	2320667463	OBZWYNUQBRJRFA-ZDUSSCGKSA-N	244.378	4.502	0	10	BJAE	
CC[C@@H](C)Nc1ccc(Oc2ccccc2)cc1	20548546	PRIWDNSFVIAXKM-CYBMUJFWSA-N	241.334	4.689	0	10	BJAE	
CC[C@H](Nc1ccccc1F)c1ccc(F)cc1	20548582	FKMFGYVMBIAFLP-AWEZNQCLSA-N	247.288	4.528	0	10	BJAE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccccc1F	21810166	IXWCUXWJSGNYJU-ZENOOKHLSA-N	249.373	4.698	0	10	BJAE	
CCN[C@H](C)c1ccc(C(C)C)cc1C(C)C	35548492	UPHHXGGLVWDHSU-CYBMUJFWSA-N	233.399	4.604	0	10	BJAE	
CCCC(CCC)N[C@H](C)c1ccc(C)s1	49158668	TYOOJMZNHDUURR-GFCCVEGCSA-N	239.428	4.676	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(OC(C)C)cc1	69371472	CEBZJSPIBKNTMY-CQSZACIVSA-N	249.398	4.855	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1cc(C)ccc1C	70977688	XJSIZSQSONYMII-CABCVRRESA-N	231.383	4.684	0	10	BJAE	
C[C@@H]1CC(Nc2ccc(Cl)cc2)C[C@H](C)C1	82829400	SVDALCNVTOJZDL-BVUQATHDSA-N	237.774	4.577	0	10	BJAE	
C[C@H]1CCC[C@@H](NC2CCC(C)(C)CC2)CC1	86890225	SNYSKIYWLWHPSO-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc([C@H](O)C2CCC(C)(C)CC2)c(C)c1	87941625	OYWOAKWEWWMJEH-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@H]1CCC[C@@H](CC)C1	94676713	RPAXEEQEIVNCNV-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCCc1ccc(-c2cc(N)sc2C)cc1	105882732	NDLAMKHPTPUHLC-UHFFFAOYSA-N	245.391	4.648	0	10	BJAE	
CCC(CC)[C@@H](O)c1ccc([C@H](C)CC)cc1	109785434	OISQQFPRIXZANZ-MLGOLLRUSA-N	234.383	4.670	0	10	BJAE	
CCCN[C@H]1CC[C@H](C)c2ccc(C(C)C)cc21	136925575	MKLJGGDYJICCKC-GUYCJALGSA-N	245.410	4.748	0	10	BJAE	
CCC1CCC([C@@H](CC(CC)CC)NC)CC1	148402134	VGJKQQMQMHRBQG-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@H](CCCC(C)(C)C)c1ccccc1	155719943	QISVCDOJOORKMR-MRXNPFEDSA-N	247.426	4.596	0	10	BJAE	
CCCCC[C@@H]1CCCCC[C@H]1CNC1CC1	155835883	QPHQHTUCECANMQ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
O[C@@H](CC1CCCCCC1)C1CCCCCC1	157272449	QTHUTUJBFOQLOZ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCC[C@@]1(N)CC[C@@H](C)c2ccccc21	165693140	XKQMUNQBKRCHGB-RHSMWYFYSA-N	245.410	4.564	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)c1C	166054279	RJFOOCYGCGEYCJ-UXIGCNINSA-N	244.378	4.558	0	10	BJAE	
CC[C@H](C)[C@@H](C(=O)CCC1CC1)c1ccccc1	166580725	ZXYYRKGZTONNGQ-SUMWQHHRSA-N	244.378	4.576	0	10	BJAE	
CC[C@H](C)C[C@H](N)c1ccc([C@@H](C)CC)cc1	167217524	ZRDUJIHXVIBQRL-XEZPLFJOSA-N	233.399	4.636	0	10	BJAE	
Cc1coc(-c2ccccc2)c1-c1ccccc1	196171418	YUNILZLMKGRGDX-UHFFFAOYSA-N	234.298	4.922	0	10	BJAE	
Cc1cccc(-c2ccc(C(C)C)cc2)c1	200858173	MYHKTZZXEGHOGK-UHFFFAOYSA-N	210.320	4.785	0	10	BJAE	
CCCCCC[C@@H](C)[C@H](CCC)NCCC	212755654	WBHXPZLOGNNDFG-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC(C)(C)C)[C@@H](CC)C1	219549421	GANSOGJSCAIANL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCC[C@@H](C2CC2)C1	227867833	UZGLPSOTPBUNNL-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CC(CC)CC)c1cccc(C)c1C	229155406	CJGRBEXMLGBMJJ-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
C/C(=C\Cl)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O	232007195	DSRQZWPRCWPXOR-CZHKVUGUSA-N	242.790	4.551	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC(C)(C)C[C@H]1C	233361139	PSCANUMDJAHBRC-CJNGLKHVSA-N	245.410	4.876	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)C[C@H](C)CC[C@H]1C(C)C	251305038	JNHYTHSEEKORKR-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CC[C@H](c2ccc3c(c2)CCCN3)C[C@H]1C	300115528	IQFPNOVPDHTQIV-MCIONIFRSA-N	243.394	4.584	0	10	BJAE	
CCC[C@H](C)[C@]1(N)CCC[C@H](C(C)(C)C)CC1	300460724	BPOZVRVNXDVASL-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCC1([C@H](O)CCCC(C)(C)C)CCCC1	300829314	IBFDLEPFKKUZAW-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCNCC1(C[C@H](C)CC(C)C)CCCCC1	302297939	HAACHFVAUFYZLR-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CCCC(C)(C)C)C1	304150631	PGCVDOYZDSFTRV-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(O)(CCC2CCCCC2)C1	305895639	GVMSVCVQKZCORH-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc2c(C(F)F)csc2c1Cl	306854701	VNBWCKDTQYDXER-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CSc1cc(S)c(Cl)c2ccsc12	307563717	XLJUDDVNQUKXJK-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C1=CCCCCC1	307984787	BMWOUABCOQURAS-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1cc(C)c(C)cc1C	308010791	AVWVKZMDYIERRO-RDJZCZTQSA-N	248.410	4.718	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1NCC(C)(C)C1=CCCC1	308758271	RDQQYQWDTMRIMU-UKRRQHHQSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)C1(CCC)CC1	310137871	BLYHDLWVJIJSNI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C(C)C)[C@H](CC)c1cccc(C)c1	310619979	AAOASCYELZSBCC-IAGOWNOFSA-N	247.426	4.513	0	10	BJAE	
CCN[C@@H](c1ccccc1C)C(C)(C)C(C)(C)C	380885069	FVAOJAGDUODEED-HNNXBMFYSA-N	247.426	4.718	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1C=CCCCCC1	383124340	LJNJORBGOJVPGV-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)NC[C@@H]1CCC[C@H]1CCC1=CCCCC1	385003449	WEOVUMPORWLABS-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
O[C@H](CCC1=CCCCC1)CC1CCCCC1	385050023	QMFWZMDDKNRBLO-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
Cc1ccccc1[C@H](N)CC1CCC(C)(C)CC1	385263085	BBZOXCLBPOSVJZ-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CC1CCC(CN[C@H]2CCCC23CCCC3)CC1	392819903	BKAQTLYYDYYGFY-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CNC/C(=C/[C@@H]1CCCC[C@H]1C)C1CCCCC1	394786618	JSTCBDATMGWGSX-JFBHYCPVSA-N	249.442	4.539	0	10	BJAE	
C[C@H](C[C@@H](O)CCC1CCCCC1)C1CCC1	398516876	KOKFZYLGIFGDHG-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)(CCC(C)(C)C1CC1)CNC(C)(C)C	406007715	QJYHJETYKSEQLL-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](O)CC/C=C(\C)CCC=C(C)C	616590737	KDCGWBPROCYAQO-ATGUSINASA-N	224.388	4.620	0	10	BJAE	
CCCCC[C@@H](C[C@@H](C)CC(F)F)NCCC	688798703	JTDMYQMXZLROHJ-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H](C(C)C)[C@H]1CCCCC[C@@H]1CC	691097863	CIGUHODVVMQBRD-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CC2CCC1CC2	691153126	QMSOJSHFQFOPML-BHIOZNAESA-N	249.442	4.514	0	10	BJAE	
FC(F)(F)c1ccc(CCC2CC=CC2)cc1	692118323	BVCSBJKBJREXAM-UHFFFAOYSA-N	240.268	4.604	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@@H]1C[C@H]1CC	696552144	XTOXTKFDPICWCR-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)[C@@H](C)CC	696642952	BVUCRMRJSFYIIH-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@]1(O)CCCC(C)(C)CC1	704797910	JAZRVXYWTOOYTJ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)[C@@H](C)CC(C)(C)C	708257422	PQIOJRDPKHZTPM-BFHYXJOUSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1cccc(F)c1C	709236108	XWBNMWVNPHHXOJ-CJNGLKHVSA-N	249.373	4.905	0	10	BJAE	
Cc1cccc(OC[C@@H](C)CC(C)(C)C)c1F	709255839	BEDTYRIMCPIRDK-NSHDSACASA-N	238.346	4.585	0	10	BJAE	
C[C@H](CCC[C@H](N)c1ccccc1)C(C)(C)C	711221064	ZXGQAEBPRCWLOS-HIFRSBDPSA-N	233.399	4.539	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CC[C@@H]2CCCC[C@H]2N1	712335527	RHIWUOJHYXWPRE-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@H]1CCCC1(C)C	713134245	PLWUPZRCWRBIIV-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CC(C)(C)C(C)C)C1	713171859	AAYJPKXKJBPYAF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)c1cc2ccccc2s1	713190133	TXNIAWZPWGDARL-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](C)[C@H](C)CNC(C)(C)C	713212586	QNUBOWRVBHFISE-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC(C)(C)CC)CC1	713234351	WMBWCPMCAHXBRM-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCNC[C@@]1(CC(C)(C)C)CCC[C@@H](C)C1	713298880	QRZQPBHRKOJELZ-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@@H]1CC[C@H](CC)C1	713743541	GPMYPHIXXRTZAZ-BHOBLMPXSA-N	249.442	4.703	0	10	BJAE	
C/C=C/C[C@H](CC)c1cc(C)cc(C)c1	714559595	DCCDTSXMXREAFS-DYLGSBMWSA-N	202.341	4.763	0	10	BJAE	
C1CCC(CCCNCCCCC2CC2)CC1	716357470	HAXFGHSYOPHWTP-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC1(C)CC(CC(=O)CC2CCCCCC2)C1	723575685	IMXXZYYXORYZBV-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
Cc1cccc(CSc2ccccc2C)c1	1188659916	GQOKFKQSHDJQHA-UHFFFAOYSA-N	228.360	4.596	0	10	BJAE	
C=C/C=C\CCN(C)c1ccc(C(C)(C)C)cc1	1307427313	MYXXEPDCFDEOBW-FPLPWBNLSA-N	243.394	4.553	0	10	BJAE	
CC1(C)CCC[C@H](CNC2CCCCCC2)C1	1461008923	GDGDWSFUJYDSFN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCC[C@H]1CCNC1CCCCCC1	1474004213	FGRKNEABEQFSGY-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@](N)(CC1CCCCCC1)C(C)(C)C	1901061053	OCMXQJGUMIFOGC-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCc1cscc1N[C@@H]1C[C@H](C)CC[C@@H]1C	1902377575	VUHOPNKOIVBIRI-NTZNESFSSA-N	237.412	4.547	0	10	BJAE	
CCCCC[C@H](O)CC[C@@H]1CCC(C)(C)C1	1903370964	WLFSCHPPEDQIDW-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC(=O)CC[C@@H]1CCC(C)(C)C1	1903418125	RKRZMMDXQFXBJD-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](O)CC1CCCC1	1905365084	FJTJTEKRYPPMOI-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CN[C@H](CC1CCCC1)C1CC2(CCCCC2)C1	1912598307	BWGAEGRSRRBXET-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CCC2=CCCCC2)[C@@H](C)C1	1916078055	BHZHWZSSQLSUAK-YDHLFZDLSA-N	234.383	4.518	0	10	BJAE	
CCc1ccc([C@](O)(CC)[C@H](C)CC(C)C)cc1	1919609990	BKLCIAQQHMLIJX-PBHICJAKSA-N	248.410	4.529	0	10	BJAE	
CCCN[C@@H](C1CC(CCC)C1)[C@@H](C)CCC	1921281379	UFVRHUPJGRWOAP-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)CC[C@H]2CCCC[C@H]2C1	1921538712	LDSTZZGGRYDIHJ-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC1(c2ccccc2NCC[C@@H]2CC2(C)C)CC1	1921565690	WXVOBIZRSOJINA-CYBMUJFWSA-N	243.394	4.586	0	10	BJAE	
CCC(CC)C[C@@H](O)CC(C)(C)c1ccccc1	1926368209	QTGOXYCCLVKZQY-MRXNPFEDSA-N	248.410	4.542	0	10	BJAE	
C=CC=CCCC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1929817276	DMAQIZNKMPJQCV-FICVDOATSA-N	206.373	4.971	0	10	BJAE	
Cc1sc(Cl)cc1C(=O)CCC(C)(C)C	1933560091	ILRYENIZSGPEDP-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
Cc1ccc(O[C@@H]2CCC[C@H](C)C2)c(Cl)c1	1936604576	JRFMJBZSMGAXNH-CMPLNLGQSA-N	238.758	4.606	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)C(C(C)C)C(C)C	1940255206	FHBZXEGHYCVACA-ZIAGYGMSSA-N	241.463	4.717	0	10	BJAE	
CCCN[C@@H](CC(C)C)CC1(C)CCCCC1	1940407872	JWXXNYKJTMJGMD-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCNCCC[C@@H]1CC1(C)C	1940850746	LSBQJOJAGNYXAM-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](NC)[C@@H](CC(C)C)C(C)C	1941262299	BYCOYIZUKDBCCF-VGWMRTNUSA-N	241.463	4.575	0	10	BJAE	
CCCN[C@H](CCCCF)[C@H](CCC)C(C)C	1941265502	VNPGKHUTVQFYFO-HUUCEWRRSA-N	245.426	4.567	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)[C@H](CC(C)C)C(C)C	1941266627	HZGKJGLXQUTKKX-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCCCCC1CC1	1941584689	AXVPDDPHPVXDGQ-OAHLLOKOSA-N	238.415	4.988	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@@H](C)CCC(C)C	1942661994	MZYHLXXXBVWLHD-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@@H](C)CCC(C)C	1942663424	ZPGQLSBLWZKFJC-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCNC[C@@]1(CCC=C(C)C)CCCC1(C)C	1944481887	XYINUWBHNBTJBS-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H](C)C2CC2)cc1	1944500394	ZUVUWHCKMAIRGV-QWHCGFSZSA-N	231.383	4.658	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1CCC[C@H]1C)C(C)C	1944843237	QDXXXNLOVDFRGX-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1CC12CCCC2	1948072801	YDVIKWNPLGSWOY-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CCCC1(C)CC1	1949055681	RVQPRFAJHQCBPZ-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCC[C@@H](C)CC1	1950925238	RLZZHKARDKCAEJ-HIFRSBDPSA-N	236.399	4.908	0	10	BJAE	
CCCCC[C@@H](C)NCCC12CCC(CC1)C2	1950960918	YPJCNXWHNJOIKH-QQFBHYJXSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H]([C@@H](C)CCC(C)C)C1(CC)CCC1	1951243811	LXTJNPRAFARJQU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1CCC(C2CC=CC2)CC1	1962082720	KSASVLSNGZSVHD-UHFFFAOYSA-N	206.373	4.805	0	10	BJAE	
CCC(CC)[C@H](C)NC[C@H]1CCCC(C)(C)C1	1963157848	YWZAAXDTEVKKQT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CN(CC)[C@@H](C)C1CCC1	1964258491	JKLBRCZJGXKQBN-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CN(CC1CCC=CCC1)C1CCCCCCC1	1966179901	DVXIYERHXCJPMC-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CCCC(CCC)CNC1(C2CCCC2)CC1	1970495724	DSOIOJCXELJZFQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCCC2(CCC2)C1	1973164776	XMNDFUDMZUXOCF-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)C(=O)c1sccc1C1CC1	1976007339	GANKDFNEUOXJNC-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
O[C@H](CCCC1CCCCC1)c1cccs1	1980699600	PPSDFKROKZYDAN-CYBMUJFWSA-N	238.396	4.532	0	10	BJAE	
C/C=C/C[C@](CC)(CCCC)CNC(C)C	1983585703	XZCULOVXKZOFRH-RZIFZGNASA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)CC(CCC)C1	1984693277	BHERZBTZCHMTJM-WLYUNCDWSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1CC[C@H](C)CC1	1989772072	KLMRSTZAJXVNIY-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CC=C(CC)C1(N)CCCCCCCCC1	1992004533	QCEGFGAMIHZKFM-UHFFFAOYSA-N	223.404	4.565	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H](C)C(C)C	1995205481	TWYRUUDELKZCOK-KBPBESRZSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCCCSC	1995214577	NADQEQVXKIXQJQ-CYBMUJFWSA-N	244.444	4.695	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1sccc1C	1995261712	HBNACCYSKQYSHC-DGCLKSJQSA-N	239.428	4.663	0	10	BJAE	
CC[C@H](C)C[C@H](NC)[C@@H]1CCC[C@H](CC)CC1	1997117383	QMLXBHCFJHJDFQ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@@H](C)CC(C)C	1998033389	ZUUOXJQLNUPRBI-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccsc1[C@H](N)C[C@H]1CCC=CCCC1	1999978382	CYLVBSBQBMGINB-UONOGXRCSA-N	249.423	4.583	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C(C)(C)C(C)(C)C)C1	2000144460	XDTCRJVXMKFLRM-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C)c(C(=O)CCCC(C)C)cc1C	2000190047	HTCDSBWCQIOSFQ-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
CCCC[C@](C)(CNCCC)CC1(C)CCC1	2000521273	SUOFYJPIYGFCPW-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)CCNCC1(C)CCCCCCC1	2004938058	ZDMYKSSVLQIXAN-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCCC[C@@](C)(N)CC1CC(C2CCC2)C1	2007769886	VRJNBPKTTSEHLR-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC1(CC[C@@]2(N)CCCC[C@H]2C(C)(C)C)CC1	2009551826	KOTIKEKSVPLRGN-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H]1NCC[C@]1(CCC)C1CCCC1	2009766963	CACZULRETBFGES-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H]1NC[C@@H](C)[C@H]1C(CCC)CCC	2009774542	YZDXQPYLXXIYNT-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H]1NCC[C@]1(CC)C1CCCCC1	2009774731	UHJGHUNBCZRAFZ-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C1=CC[C@H](C)CC1	2010621908	CQWJHTFYVTVFLL-IJEWVQPXSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC)C1=CC[C@H](C(C)(C)C)CC1	2010715591	UIGNBTDZYAJECN-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](CC[C@]12CCC[C@@H]1C2)NCC	2011000946	GALNOWQBBQYOPF-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@]12CCC[C@H]1C2	2011022606	XNVNDELBGUIMAK-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCn1ccc2cc(Cl)ccc21	2011565293	JTNUJLMJBGPAFS-RYUDHWBXSA-N	247.769	4.731	0	10	BJAE	
CCCNC[C@@](CC)(CC1=CCCC1)C(C)C	2012411523	KHFROVDYFGYRCO-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)C1CC2(CC2)C1	2012414440	VYHDBGIEGRPRGA-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)NCCC12CCC(CC1)CC2	2012787425	GFWIQSQWVVROCD-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
Cc1c([C@@H](N)[C@@H](C)C(C)C)sc2ccccc12	2014292014	JPVUUHYAKYILGR-HZMBPMFUSA-N	247.407	4.502	0	10	BJAE	
CCC[C@H](C)[C@@H](O)c1sc2ccccc2c1C	2014292330	LGPVYUCFISNPBX-IINYFYTJSA-N	248.391	4.679	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(C[C@@H](C)C(C)C)CC1	2015394275	MLSNEMCZTGBHHY-PMPSAXMXSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@H](CC(CC)CC)NC)CCC1	2015642027	LNEJVGYVVVZXCP-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(=O)c1csc2ccccc12	2016440702	ASSTWARLGWNEGO-BONVTDFDSA-N	244.359	4.520	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CC[C@H]1C[C@H]1C	2017244312	IPXKDKALDPBWHU-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(CC[C@@](C)(O)C(C)C)CC1	2017718429	BEFBKPPZILXCPB-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CCCCCC[C@H]2O)CC1	2017721018	WLCDNOJUCXYBLJ-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C)[C@@H](C)C[C@H]1CC[C@H](CC)CC1	2017730818	LFYKEILZIUSWNY-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCCC[C@@H]2CC)CC1	2018923816	HDURRYAZCDFMGD-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H]2CCC(C)(C)CC[C@@H]2O)CC1	2018974856	HYBXXTLWKWVOKU-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCCCC2(C)C)CC1	2018994407	BILUBAUINNJGCV-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](C)[C@@H]1CC1(C)C	2019192972	VMFWXOXGNBRRGU-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)C[C@H]1CC[C@H](C)CC1	2019452737	WXKFNKSDVKNJNP-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC(O)(CCC2=CCCCC2)CC1	2019767147	KTHFVFXJPBWTQG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC1(O)CCCCCCCC1	2022452464	XEJNJRKMUPFVFF-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCCCC(C)(F)F)NC	2023298347	ZHJBBAMIFCLKCC-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@@H](CCC)NCCCCC(C)(F)F	2023298442	ADQKPJMAAKNPSL-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
CN[C@H](CCC(C)C)C[C@@H]1CCCC(C)(C)C1	2024094320	JGMXHFLKKILOTK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2024097312	XFJOJPSCURUIOY-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(C[C@@H]2CCCC(C)(C)C2)C1	2024129499	VYBILVNPKLKOPL-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)c1ccc(C)o1	2027312135	SAFMQXLQHKAJSG-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)C(C)(C)C2CC2)cc1	2028101414	NHAFPVCPROPWFR-WBMJQRKESA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)c1ccccc1C1CC1	2028602269	HHFNWDRPDYPZLG-YOEHRIQHSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)CC1(C)CC1	2028874842	YZSTZXUFYFQGEJ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](c1ccccc1CC(C)C)[C@@H](C)CC	2028914981	LHGZLTMTOJNDNP-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CCC[C@H](NCC1(C2CCCC2)CC1)C1CCC1	2029741806	JWMRBQHHCFCTRM-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@@]1(C[C@H]2C=CCCC2)CC[C@@H](C)C1	2035585764	HCMFGAYXCUBNPD-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
N[C@@]1(CC2CCCCC2)C[C@@H]2CCCCC[C@@H]2C1	2035862841	SKWRKEWPLIWAFM-BJWYYQGGSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1N[C@@H]1CCCCC12CCC2	2035889676	DYUVYZNNEBTZJV-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@](O)(C1=CCCCCC1)C2	2036664010	HNSLZCQHXWVRHL-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@H]2CCC[C@H](C)C2)c1	2037143252	QDHHDDGZGZRLLD-QRTARXTBSA-N	245.410	4.636	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(N)C[C@H]1CC=CCC1	2037166915	OSIXARAIGWXEEK-YYIAUSFCSA-N	249.442	4.523	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)C[C@@H](C)CCC1=C(C)C	2037172577	WGYFPVMQLLCADM-YOEHRIQHSA-N	249.442	4.977	0	10	BJAE	
N[C@@H](CC1CCCC1)C[C@H]1CCC2(CCCC2)C1	2038108003	OIKCGKAUNYDDLP-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@H]1CCC2(CC2)C1	2038567101	HPKSZRMHYPKUSK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)[C@H]1CCC[C@@H](C)CC1	2039370004	MXFXABJXEYHYHB-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1CCC([C@@H](C)NCC2CCC=CCC2)CC1	2040639327	TYTULTPCHBCNNW-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@]1(C)CCCC1(C)C)[C@]12CCCC[C@@H]1C2	2041729778	SZDUSYYIQYLLQW-XOSAIJSUSA-N	249.442	4.514	0	10	BJAE	
CC(C)(NC[C@H]1CCC=CCCC1)C1CCCC1	2045330771	YTNMDDDNGNGTGV-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)[C@H]2CCC23CCCCC3)C1	2045520422	OQHQRYYFUXGGDX-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CCCC[C@](C)(CN)CCC=Cc1ccccc1	2045978004	FKBDBEMSWISHBU-KRWDZBQOSA-N	245.410	4.635	0	10	BJAE	
CCCNC[C@]1(CC2(C)CC2)CCCC12CCC2	2048876684	ITEVXWDFJUISOC-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC[C@](N)(C1CCCCC1)C1[C@H]2CCCCC[C@H]12	2049212137	PJKFFICBNNZOTC-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1N[C@H](C)[C@@H]1CCC[C@H](C)C1	2049536478	LVXIUFTZMCJZFA-SQWLQELKSA-N	245.410	4.876	0	10	BJAE	
OC1(C2=CCCCCCC2)C2CCCC1CCC2	2050036320	FPQIBEDRNCDRAI-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
O=C(C1CCCCCC1)[C@H]1CCCCC12CCC2	2053358373	KNRILJZORFCGJJ-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@H](C[C@@]1(CN)CCCCC12CCC2)C1CCC1	2053417826	GSXRPIQYOKGVMN-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CC1=C(C)[C@@](N)([C@@H]2CCC3(CCCC3)C2)CCC1	2055594311	CYUSUCYBCRGRLL-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC1(C(=O)C2CC(C3CC3)C2)CCCCCCC1	2057830731	BCXGFQLLQVQGKE-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)(CN)CCc1ccc(C(C)C)cc1	2058838765	YRZDNIQJOZIANO-UHFFFAOYSA-N	247.426	4.508	0	10	BJAE	
CCCC1([C@@H](NC)C2=CC[C@@H](C(C)C)CC2)CC1	2061084459	JWZDXQDPGXPZRT-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1(C)CC1)C1=CC[C@H](C(C)C)CC1	2061147467	OCSPOZGLLHBYLE-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CN(CC[C@@]12CCC[C@@H]1C2)C1CCCCCCC1	2061625338	DHAHMMOWTGLSAM-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC12CCC(CC1)CC2	2065338533	TVDWXLNLDOPDEX-VXLLPVPCSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)c1cccc(C)c1C	2068843594	MKRKJPKTPOCEBC-WMLDXEAASA-N	247.426	4.636	0	10	BJAE	
CCCC1(CN(C)[C@@H]2CCC3(CCC3)C2)CCC1	2069277904	BUWCUIPPOWUSNY-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCC1(CC[C@H](N)c2cccc(C)c2)CCC1	2069341452	FNMDMFMRICZRRU-INIZCTEOSA-N	245.410	4.745	0	10	BJAE	
CCCC1(C[C@]2(N)[C@H]3CC[C@@H](C3)C2(C)C)CCC1	2069343819	DBLZYOAELCSICD-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
NC1(C[C@@H]2CC[C@H]3C[C@H]32)CCCCCCCCC1	2071052729	PWTDGHZMBXQXMF-HRCADAONSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(NCC2(C(C)(C)C)CCC2)c1F	2071952703	FSQKDHFUCHVHIR-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1ccc(C)cc1F	2072416033	BMDYQEZFWVSNFI-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCCCC[C@@](O)(CC)Cc1cc(C)cc(C)c1	2073342597	QVZFRGNRVGDXQS-KRWDZBQOSA-N	248.410	4.567	0	10	BJAE	
CCC(C)(CC)CN(C)Cc1c(C)cccc1C	2074922210	OJLFTACPPOIMND-UHFFFAOYSA-N	247.426	4.562	0	10	BJAE	
CC1(C)CCC[C@H](CC2C[C@@H]3CCC[C@H]3C2)C1=O	2076445343	YXJSFEZVALKRMV-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CCCCN(C[C@@H]1CC12CCC2)C1CCCCC1	2076584173	HDISNEWINLLWQS-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H]1C[C@@H]1COc1cccc2ccccc12	2079811382	PFVFAMPQPXNADS-LSDHHAIUSA-N	240.346	4.655	0	10	BJAE	
c1ccc(OC[C@@H]2C[C@H]2C2CCCCCC2)cc1	2079813726	LTGFQUCASSXCOC-RDJZCZTQSA-N	244.378	4.672	0	10	BJAE	
CN[C@@H](CCCC(C)C)c1cc(C)cc(C)c1C	2082919751	SSSUVKIZLVEXED-KRWDZBQOSA-N	247.426	4.699	0	10	BJAE	
CC[C@]1(CC2CCCCC2)C[C@H]1CNC1CCC1	2083191276	NXFQNHMBARXOIC-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H]1CCCNC12CCCCC2	2083818384	VPFKCHNVWYEACQ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@@H]1CC(C)(C)C1(C)C	2084429770	OFJFFEZNYFQAEJ-DZGCQCFKSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)C[C@H]1C=CCC1	2084998844	SSAINVYXHUAKAD-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)C[C@H](CCC)CN[C@H](C)CC	2212588772	NMONJOBCVZATEK-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)C(C)(C)CCC	2216278185	LMSZTRRCXKHCRQ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCNc1ccc2c(c1)SCC2	2216719455	ANEBVWWMDIGULL-UHFFFAOYSA-N	249.423	4.573	0	10	BJAE	
O[C@H](CCCCCCCC1CC1)CCC(F)F	2216862262	JXGCZCWZINSVDQ-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
C[C@H]1C[C@]1(C)C(=O)CCCCCCCC1CC1	2216879748	MUMXBKABVBKRGD-BBRMVZONSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CC[C@@H](CNC1CCC1)C(C)(C)C	2217132081	ZZJRVZRNLBSGLG-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](CCC(C)(C)C)CNC1CCC1	2217157006	PLWRPZVFRGLWNU-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C(CCCN(C1CCC1)C1CCC1)CCC1CC1	2218731929	NFCTWRYBJWZQSF-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
C[C@H](NC1CCC(C2CC2)CC1)C1(C)CCCC1	2218890342	BVLFROPATNEQLC-JEYLPNPQSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(NC2CCC(C3CC3)CC2)c1C	2218895191	RGQXGVCKJWVDSF-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CCCCC[C@H](C)Nc1cc2ccccc2cn1	2220427523	KPUGSFMECGKIRO-ZDUSSCGKSA-N	242.366	4.616	0	10	BJAE	
CC1(CNC2(C)CCCCCC2)CC2(CCC2)C1	2221024304	AARDBCLKNIQVKE-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)C[C@H]2CC[C@H](C)CC2)CC1	2221623274	LAAGKXNAIALWGO-MWQQHZPXSA-N	249.442	4.667	0	10	BJAE	
CC1=CC[C@@](C)(CNCC2(C)CCCCC2)CC1	2221643835	PHIGHUVOCDBKKA-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1(NC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1	2222933827	OTQGCBYDJFCLJV-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CCCC2)CC=CC[C@H]1C	2223563706	VZOUWZPZHWMVKV-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(CNC2CCC2)CC=CCC1	2223599328	JZPKUQLFKCOBLU-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)c1cccc2ccoc12	2224182320	VJWWHJLZFGCUJH-CQSZACIVSA-N	245.366	4.505	0	10	BJAE	
CCCC[C@H](C)C(=O)CCCC[C@@H]1C[C@@H]1C	2243054496	YFSJYLZEJUQDIN-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H]1CCCCC12CC2	2246600590	BCSFVYVCQOENAN-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCCC(C)(C)C(=O)CC[C@@H]1CCC[C@H](C)C1	2246662559	HAPPPASUWQRCRF-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CC(=O)C[C@H](C)C2)C1	2246665520	RTXCKIWTCUKXAP-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC(C)(C)C(C)(C)C)C1	2246688028	RZBBWNAJQYIHOM-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)[C@H](C)CC[C@@H]1CCC[C@@H](C)C1	2246731114	WSVIBCTWHKJTSU-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(-c2sc(C)c(C)c2C)ccc1O	2246813764	UDAJIPOEEAHPIX-UHFFFAOYSA-N	246.375	4.608	0	10	BJAE	
CCCC1([C@@H](N)CCCC[C@@H]2C[C@H]2C)CCC1	2247175498	JMIPVQSHAUZPCD-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](NC(C(C)(C)C)C(C)(C)C)C1	2247750660	MNLOFDAKIUBSDE-OLZOCXBDSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](CC(=O)c1csc(C2CC2)c1)C1CCC1	2248067563	BUTHSEVGAIDOFK-JTQLQIEISA-N	248.391	4.635	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](C)(O)C1CCCC1	2248868699	CUUIWIXOYOALLG-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1CCCCC1(F)F	2250371866	NFMVBHSSOWCLFT-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CC[C@](F)(CC[C@H](C)CCCC(C)C)[C@H](C)N	2250482694	VXFOBJNBTBCGGO-ILXRZTDVSA-N	245.426	4.695	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@]12CCC[C@H]1CC2	2251119606	UTRHPXNVAVBURO-DZKIICNBSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CC[C@H]1C(=O)C(C)(C)CCC1(C)C	2251710802	DGNQFOKLFPLHOM-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc2ccsc2c1	2253063626	VQIGEHCPYNLTML-CQSZACIVSA-N	248.391	4.905	0	10	BJAE	
CC1CC(CC(=O)c2ccc3ccsc3c2)C1	2253130914	CFHBQPUAGOQTIV-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CN[C@@H](C[C@H]1CCCCC12CC2)CC1(C)CCC1	2253782804	LGNDRZKMTUQHES-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@](N)(CC[C@@H]1CCCCC12CC2)C1CCCC1	2253876224	VPUMNKUQZADEFZ-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NCC[C@H]1CCCCC12CC2	2253877438	FCFSYFMEQWZLLM-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
NCC1(CC2CC3(CCCC3)C2)CCCCCC1	2254055837	NRTZWGPETQWVCF-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
CC1(C)CC([C@](C)(N)CC2CC3(CCCC3)C2)C1	2254123774	JUXURBXSJDTCPP-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC([C@@H](N)C1(C)CCCCCC1)C2	2254481398	QORBADIOLCAPAP-UKEPKTAJSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1C(=O)CCCC[C@H]1C[C@H]1C	2254612412	WEXCEWDPHSVLIJ-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@H]1CCC12CCC2	2255026755	JFLDFKCAXAWWMZ-AWEZNQCLSA-N	242.362	4.538	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)CC[C@@H]1CCCC12CC2	2255221254	DXTLEYHPDBKWPG-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CCCC12CC2	2255241772	APMSPHDZDSKSJK-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC=C[C@@]1(C)CNC(C)(C)C1	2257251396	FUKKLUKDJOEFRK-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@@]23CCC[C@H]2CC3)C1	2260500231	JGHTWROSICMOPO-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@@]12CCC[C@@H]1CC2	2260508637	QIQAAAFMGSQFOM-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@@]12CCC[C@H]1CC2	2260588694	TXJZDZHMNUXHHY-DIECFANBSA-N	246.394	4.518	0	10	BJAE	
CCCc1ccc(C(=O)[C@@]2(C)C=CCCC2)s1	2300636609	SLCAUAPCUMIPIF-HNNXBMFYSA-N	248.391	4.630	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(CCC(CC)CC)C1	2300687895	HNDUKUXBXXNLMF-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(=CCCC[C@@H](O)C(C)C)CCCC(C)C	2300864472	AURYTWCWQGNIBT-MRXNPFEDSA-N	240.431	4.946	0	10	BJAE	
CCC(C)=CCC(C)(C)[C@@H]1CC[C@H](C)CC1=O	2300867467	MKBLTWSNRYBGAN-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H](CC=C(C)CC)C1	2300896483	IVTAGPBIDOQWDT-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCC1([C@@H](N)CC2CCCCCC2)CCC1	2301139008	CFQCTPKXPRLPEI-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1CCCCCC1)NC	2301147129	GSMSAHJERVNIRP-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(N(C)[C@@H](C)[C@H](C)C(C)C)CC1	2301701416	OXJVQSIKWVFQOE-QVOMUQBLSA-N	239.447	4.568	0	10	BJAE	
CC(C)c1ccc(F)cc1NCCC(C)(C)C	2301905421	NMFNAYYZQNBWRJ-UHFFFAOYSA-N	237.362	4.797	0	10	BJAE	
CC1(C)C[C@H]1c1csc([C@@H]2CCCC23CC3)n1	2302262669	NYMXMSQWAVGJKG-QWRGUYRKSA-N	247.407	4.704	0	10	BJAE	
CC(C)(C)[C@H](N)CCCCCC1=CCCCC1	2302353940	LZWZWGHAEYANLX-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CCCC1=CCCCC1	2302359256	OZTIQAKPOLNATJ-ZBFHGGJFSA-N	238.415	4.844	0	10	BJAE	
CC=C(CC)[C@H](CCC[C@H]1C[C@@H]1C)NCCC	2302607839	CRVHJRWQPNDYLQ-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C[C@@H]1CCC(C)(C)C1)c1ccc(N)cc1	2302761119	OSEGNPCRNOVIDT-STQMWFEESA-N	231.383	4.589	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@@H]1CC[C@@H]1C(C)(C)C	2303490761	SWQSECMNHBZBTG-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C[C@H](N)CC[C@@H]1C[C@H]1CC)C(C)(C)C	2303588044	VICLSCFOQWNAIL-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CCN(CC[C@@H]1CCC(C)(C)C1)CC(C)(C)C	2304405885	PIJUKEDZRVZQCF-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CC[C@@H](CCC[C@H](N)C2CCCC2)C1	2304440735	VTCTXJNUIZSMQH-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1CCCCCCC1	2307895362	PTHBYROBJFDOAL-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CNC[C@@]1(C[C@@H]2CCC[C@H]2C)CCC=CCCC1	2308261561	DASKJMGZJNRPPU-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1C)C1=CC[C@@H](CC)CC1	2311274937	UDDVTGKXSQFTPL-SRABZTEZSA-N	249.442	4.537	0	10	BJAE	
CCc1cc([C@@H](N)CCC2CCCC2)ccc1C	2314701315	BHSOYHVBJQEZLJ-KRWDZBQOSA-N	245.410	4.528	0	10	BJAE	
CC(=CCN[C@H]1C=CCCCC1)CCCC(C)C	2316491842	QFZMQXSFHLYCGN-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CC(=CCNC[C@H]1C=CCCC1)CCCC(C)C	2316492065	SLMNATQCJPJLDT-KRWDZBQOSA-N	249.442	4.705	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H]1CCCCC12CCC2	2316500946	BACVWLXDQBANJJ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C1CCCC(C[C@@H]2CNC3(CCCCC3)C2)CC1	2316934959	MBOHJLVNUCXDPM-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
N[C@@H]1CCC[C@@H]1CC[C@@H]1C[C@H]1C1CCCCCC1	2318792025	UPBZTAZHWMSODB-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC[C@H]1CC[C@H]1C1CC1)C1CCCCCC1	2319694381	XOHPVBZGRNJQCC-HYVNUMGLSA-N	249.442	4.501	0	10	BJAE	
CC1(NCC[C@@H]2CC[C@H]2C2CC2)CCCCCC1	2319735651	YOXZHWPRVUMDAY-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)C[C@@]12CCC[C@@H]1C2	2320227439	ZGFYOQXXSCUGGA-SHFYGJNESA-N	248.410	4.598	0	10	BJAE	
CCC1CC([C@H](C[C@@H]2CCC(C)=C(C)C2)NC)C1	2320422063	FNXYXLMFMKWBMY-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](NC)c1cccc(C(C)C)c1	2320517277	WWYJZSPZGHJTPW-VBQJREDUSA-N	247.426	4.753	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@@H](C)C2CCC2)c1	2320517605	QSNKZMJQAVUOLG-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2321626981	IUCPSCGGAVEYMI-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CNC2CC2)C=CCCC1	2328301927	MGTDYEKBXHTYET-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC)c1ccc(CC(C)C)cc1	35573325	BYEUOAXQAJMXNG-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccc3ccccc3c2)C1	36951913	UFNDTEFHUFYDAM-CJNGLKHVSA-N	239.362	4.830	0	10	BJAE	
CCC(CC)N[C@@H](CC(C)(C)C)c1ccccc1	37128581	YNPBSKAGNRAUAO-INIZCTEOSA-N	247.426	4.942	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)C1CCCCC1	37318107	YDKALVQVROQCSU-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC)CNCCC	71127240	QIINCULHCFCLJI-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CCCC[C@](CC)(CCC)CNCC(C)C	71127993	LDBIJWXFUSIBIT-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@H](C)[C@H](C)C1	85042174	CDFNDGLIHJBWCS-ARKGTOAJSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(C2CCCCC2)CC1	86940180	NUFFDGUDQHRFBN-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Oc1cc(C)cc(C)c1	87439610	SSIQZNKGGMTJFQ-GDBMZVCRSA-N	232.367	4.651	0	10	BJAE	
CCN[C@@H](C)c1cc2c(C(C)C)ccc(C)c2o1	88073569	NIEDQPVGVUTAIG-LBPRGKRZSA-N	245.366	4.535	0	10	BJAE	
CC(C)NC[C@H](c1ccc(C(C)C)cc1)C(C)C	90339421	KASGHICEEGKNKA-KRWDZBQOSA-N	247.426	4.548	0	10	BJAE	
CCN[C@@H](C(C)C)[C@H](C)c1ccc(C(C)C)cc1	92599522	RFQHFLCDVMWFMO-PBHICJAKSA-N	247.426	4.548	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc2ccc(C)nc12	103980711	NCYAWJZKHISNFY-GFCCVEGCSA-N	242.366	4.534	0	10	BJAE	
CCC(C)(C)[C@@H](O)c1c(C)c(C)c(C)c(C)c1C	104040824	DUPMLLPXVKFTFA-INIZCTEOSA-N	248.410	4.698	0	10	BJAE	
CC/C=C\C[C@H](CC)c1sccc1C	107541951	LEYKYHXLOMSLRG-DGMVEKRQSA-N	208.370	4.906	0	10	BJAE	
CC/C=C\C[C@H](CCC)c1cccc(O)c1	107552492	OXOGFOZRMQQFMQ-SZZPACECSA-N	218.340	4.632	0	10	BJAE	
CCCCC1CCC([C@H](O)c2ccccc2)CC1	109783021	OCHDDYKNUPPPBP-BDVYOWHSSA-N	246.394	4.717	0	10	BJAE	
CCCCCC1(CN)CCC(CCCC)CC1	110193826	BPMOSLWVZBNPIE-UHFFFAOYSA-N	239.447	4.892	0	10	BJAE	
Cc1cc2c(Cl)c(Cl)ccc2c(Cl)n1	125299026	XDQKLWZRUVAXPM-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H](C)CCC	126810568	SGUYUBGRTPFRFL-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](c1ccc(CC)c(CC)c1)C(C)(C)C	135352965	BUZWTZHVVUEAOX-MRXNPFEDSA-N	247.426	4.508	0	10	BJAE	
C/C=C/CCN[C@H](C)c1ccc(CCCC)cc1	161696478	RQZCDXMJEGAYNG-CSPWOOARSA-N	245.410	4.646	0	10	BJAE	
Cc1ccc(C)c(-c2ccc(Cl)cc2)c1	166866057	KKMFVGLHDYYURN-UHFFFAOYSA-N	216.711	4.624	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1ccc(C(C)(C)C)cc1	167243383	HXTBEYJHZHDVRL-BBRMVZONSA-N	247.426	4.681	0	10	BJAE	
C[C@@H](C[C@@H](O)C1CCCCCC1)c1ccccc1	167634323	UWOFWHDXHYXWTP-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CC(CC)CC)CC1	167644571	ILVILTCGJCPESQ-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2ccccc2Cl)[C@@H](C)C1	221645584	UAVPQCYUPYAPMI-GMXVVIOVSA-N	237.774	4.577	0	10	BJAE	
CCCCCC[C@@H](O)[C@H]1CCCCC1(C)C	226913343	XUROFQUCTCBWOZ-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](Nc2cccc(F)c2)C1	230765459	JTSOUKYTOCDLGI-DZGCQCFKSA-N	249.373	4.843	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@H](C)CCC	233166352	AWUGAGVYULRXNL-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C(=O)CCC(C)(C)C)c(Cl)c1	235784386	IMVVUOXBFARVPU-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
Cc1csc([C@H](N)CCC(C)(C)C)c1Cl	235796051	XNGBXGYIIZKCBW-SECBINFHSA-N	245.819	4.536	0	10	BJAE	
Cc1cc(NC2CCCCCCC2)c(C)cc1O	235854695	WOLQSYMMSZMPFS-UHFFFAOYSA-N	247.382	4.534	0	10	BJAE	
Cc1ccc(C(C)C)cc1C(F)(F)C1CC1	258979800	JINSNZLCQYSKND-UHFFFAOYSA-N	224.294	4.620	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@H](CCCCCF)C1	304386203	LQDPJTSLBWPYRR-OLZOCXBDSA-N	242.378	4.548	0	10	BJAE	
CCCNC[C@](C)(C[C@@H](C)CC(C)C)C(C)C	305971767	PYCUZCCTQJOCNG-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccc(CC(C)C)cc1	305996751	KDTTUZGIVNRJFZ-YOEHRIQHSA-N	248.410	4.745	0	10	BJAE	
CC(C)S[C@@H](C)c1ccc(Cl)s1	306512828	QSYMFGWTCBOWIT-ZETCQYMHSA-N	220.790	4.604	0	10	BJAE	
Cc1ccc2c(Cl)c(C(F)F)sc2c1	306833495	NXTSVZXQVYJAPM-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
Fc1cc2cc(C(F)F)cc(Cl)c2s1	307047976	BCMUJVKRLZQDTB-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](NC)c1cc(C)cc(C)c1	308077256	WQWHWSDPEOPPCA-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CCCC1([C@H](NCC)c2ccc(C)c(C)c2)CC1	310620678	AHRSKMPGYVXDMX-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1CCCCC12CCCC2	311162266	YWVKCPWMSVVSRE-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@]1(CCC1CCCC1)CNC1CC1	318494944	DHTYAPQGDJBSRW-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H](N[C@@H]1CCCC12CCCC2)C1CCC1	324909386	JGGOWKWFEWLCOG-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@H](Cn2ccc3cc(F)ccc32)C1	380984208	ZLSWWLULFLXQOV-STQMWFEESA-N	245.341	4.607	0	10	BJAE	
CCC[C@@H](N)CCCC1CCC(C)(C)CC1	381309835	NJWLBOBEVUTFAK-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCC1(NC2C[C@H](C)C[C@@H](C)C2)CCCC1	382311518	SEPJTAWUGACHKW-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](C)CC(C)(C)C[C@@H]1CCC[C@H](C)C1	383869011	HNNTYMCPVUPMMI-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(F)cc(NCC2CCCCCCC2)c1	384547151	GKIVOEIZEBUAJR-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
Cc1cc(F)ccc1NC[C@H](C)C1CCCCC1	386260716	UZZVVGYYADQJHO-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C1C(C)(C)C1(C)C	395079519	ODVFAKHWWKBATK-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
COc1c(Cl)sc2c(C(F)F)cccc12	396286951	IPTINBCFLVOCLO-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCN[C@H](CC1=CCCC1)c1csc(C)c1C	401046326	MJSLKHCEJFMKEK-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CC[C@@H](Nc1ccc(C2CC2)cc1)C1CCCC1	690120206	LQNZMWCULNHONY-QGZVFWFLSA-N	243.394	4.945	0	10	BJAE	
C1CCCC(CNC[C@@H]2CCCC3(CC3)C2)CC1	695694782	RJTVBOXSJCKQKL-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCCc1ccccc1[C@@H](CC(C)(C)CC)NC	696162743	CFNOPGAWYIBEIY-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C[C@@H](C)C(C)(C)C	696568719	TYWMOMGDUCAZOM-CHWSQXEVSA-N	228.420	4.636	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1c(C)cccc1C	696573964	PYUGARVOQZKAQR-AWEZNQCLSA-N	234.383	4.553	0	10	BJAE	
CCNCC1(CCC=C(C)C)CCC(C)CC1	698031154	DWOZWCYSDYAGIX-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCC1CCC(O)(C(C)(CC)CC)CC1	701069538	VNCHQLMFICAKAG-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CNCCC)C[C@H]1C	703315103	AEUJRYYCQGKOHL-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)c1cc(C)cc(C)c1	704420782	BUVQUCKOBGIKAM-KRWDZBQOSA-N	247.426	4.694	0	10	BJAE	
C[C@H]1CCCC[C@H]1C1(N)CCC(C2CCC2)CC1	704861857	REHPVSGMFMMXLH-MHABSNSOSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](CCC=C(C)C)NC	704863719	HLTPPDWLGYTWCB-IAGOWNOFSA-N	245.410	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCC=C(C)C)NC	704908575	XCDIBKPMDJBBCM-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CC1CCC(C[C@]2(N)CCCCC[C@H]2C)CC1	704926270	GCKSDDAOFVDRIA-GYTBAZASSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@@H]2CCC[C@@H]21	707733958	SCWSOQDPUWMLQP-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCc1ccc(NC[C@@H](C)CC(C)(C)C)cc1	709104273	RMSIODJVOSOQNT-ZDUSSCGKSA-N	233.399	4.733	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1csc(C)c1	710753968	CHZMUAYMMSLDMP-STQMWFEESA-N	237.412	4.685	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@@H](C)CC2CCCC2)C1	712532689	DJBQVWJEKWESRK-QRTARXTBSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)c1sccc1Cl	713227747	CLBIHFFTXZLIHZ-SNVBAGLBSA-N	246.803	4.507	0	10	BJAE	
CN[C@@H](CC(C)(C)C(C)C)c1cc(C)cc(C)c1	713239045	GCPPWBTUVQRTNF-INIZCTEOSA-N	247.426	4.636	0	10	BJAE	
CC(C)CC1(C(=O)CC(C)(C)C)CCCC1	713302268	HXSYMNVBEPLSIR-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC1(CN[C@@H]2CC[C@@H]3CCCC[C@@H]32)CCCCC1	714258057	LXVHHICQBIPOPM-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)C[C@H](C)c2ccccc21	718751397	ZIDDFWBTYRIYBJ-YOEHRIQHSA-N	244.378	4.518	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H](C)[C@H](C)CC	720941851	XZCIJWOQXGODOV-IIAWOOMASA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(S[C@H]2CCCC[C@@H]2C)s1	1559426150	GEQFLCIJNJDPJM-ONGXEEELSA-N	226.410	4.727	0	10	BJAE	
C1CCCC(NC[C@@H]2C[C@H]2C2CCCC2)CCC1	1653266107	JFZWRDJHGLDGCF-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCc1cc(C(F)F)cs1	1889470504	TVUDINCFPADFHM-UHFFFAOYSA-N	218.312	4.664	0	10	BJAE	
CCC(CC)CC[C@@](O)(CC)CCC(C)C	1900702800	KCRYYXMNCFWTKR-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CCC(C)=CCc1cc(Cl)c(C)cc1OC	1900833305	QBWWMUUQGAAWDB-UHFFFAOYSA-N	238.758	4.556	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC=C(C)CC	1900858104	NBEQURKOBVRLKM-CQSZACIVSA-N	224.388	4.764	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1cc(Cl)ccc1F	1901621878	AGIOOESPYHISRR-NXEZZACHSA-N	243.753	4.572	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)CCCCC1CC1	1905381807	LWVPUQQBVCPRLT-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC1(C)CCC(O)(CCC[C@@H]2C[C@H]2C)CC1	1908535192	ZADNZJDZHHWRER-WXLSXGNJSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCC(=O)[C@@H]1C[C@H]1C1CCCCC1	1910662407	GBWJSTZXGABUIS-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)C(C)(C)C(C)(C)C	1910809456	MBBHZMFLQBPDQF-NWDGAFQWSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C1CC2(CCCCC2)C1	1912628270	JGOBQSASOLEIAN-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
O=C(CCC1CCCC1)C1CC2(CCCCC2)C1	1912641330	STYUNXRHPUXORH-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1CCCCCCCCC1=O	1913387734	AGRQPURCNBJCCO-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@@H]1CCC2(CCCC2)C1	1916434330	JKUGWQJWIAKLMB-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1919959856	MVYIBOTXWFGDRG-RBZJEDDUSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC[C@H]1CC1(C)C	1921570213	IXYCCEPGTLUIPW-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@H]2CCCC23CCC3)CC1	1921601003	GKOCYVVURPLSEQ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@](C)(CNCCC)C1CCCC1	1924094252	VCJAJXYLSMOSQL-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC1(CCC[C@@H](N)C(C)(C)C)CCCCC1	1935624930	IOCLHKVGAOJZOO-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCC[C@](N)(CC2(C)CCCCC2)CC1	1940408293	SUHYTJXUCVTBDA-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC[C@H]1CCCC1(F)F	1940732009	VNPMDDWQVUWKGJ-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@](O)(CCCC1CCC1)[C@H]1CC1(C)C	1941470673	TWXFGYSNIJKLFU-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC(=O)c1cccc(C2CC2)c1	1941529779	KCOSUIMYEDKOTE-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
Cc1ccc(F)c(NCCCCCC2CC2)c1	1941577298	NROOHLPBSSZKBH-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CC(C)(C)[C@]1(CCCCCC2CC2)CCCN1	1941585469	GKLGAGFRTYCOKC-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@H](N)CCCCCC1CC1)C(C)(C)C	1941587176	PWUDGPDSTDDLNU-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCCC1(CNCCCCCC2CC2)CCC1	1941591367	KPZDXOAJZHPYHQ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C[C@H]1CC([C@@H](N)CCCC(C)(C)C)C[C@H](C)C1	1943048584	AAFBDMMEXRZMBD-NFAWXSAZSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC)C(C)(C)C1CCCC1	1944641597	MAQIADXHZADKFK-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944848127	CBLUANPOLBUIRS-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC1(C)CCCCC1	1947462791	NXHUBTNZLKIZBO-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CCCCCC(C)C	1947463566	OTRUNIUKTLRPDD-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CCCC1(C)CC1	1949052125	AXCTVVCKUQJFCE-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@H](N)CCCCCC2CC2)C1	1949077085	WSLLCVACLTWQHY-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H](O)CC[C@H]1CCC2(CCCC2)C1	1949400373	VHQMMNATDJPRGD-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@@H](O)CC[C@@H]1CCC2(CCCC2)C1	1949400374	VHQMMNATDJPRGD-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)CCCC(C)C	1964604399	HSZWFCDDGLCWES-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
C1CC[C@@H]2CC(NCCCC3CCC3)C[C@H]2CC1	1965995938	IVBXJDQZSYRAPE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NC2C[C@@H]3CCCC[C@H]3C2)C1	1967696406	MDMMBJIOQQVADM-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H]1CCCC2(CCC2)C1	1969176450	HKVZGGPQDKTLQH-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCCCC1(C)C	1969953395	CWUVBJFUOUJWSM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)N(C)Cc1ccc(C(C)(C)C)cc1	1970204470	YGWVGMHTULBXHD-UHFFFAOYSA-N	247.426	4.605	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CCCCC12CC2	1972741187	BLPUQNZTIPPIRL-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CC[C@@H](C)C1	1975785064	PGNSMDMCVCGVQZ-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1CC[C@H](C)C1	1975789843	BVMKWLZXANGUKX-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C)CC1(N)CCCCCCCC1	1980337248	RWKBBIDGEYAUCD-CQSZACIVSA-N	225.420	4.645	0	10	BJAE	
CC(C)=CCc1cccc(Cl)c1C(F)(F)F	1980981732	LRTJNEAMGBVVQX-UHFFFAOYSA-N	248.675	4.868	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cc(C(F)F)cs1	1983693333	GTALFXGTTZYFJH-SCZZXKLOSA-N	248.338	4.545	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cccc(C)c1	1986949478	YQXRINCYOOWINF-CQSZACIVSA-N	219.372	4.622	0	10	BJAE	
CC[C@H](CC(=O)C[C@H](C)C(C)C)C(C)(C)C	1988303543	VRBMDTKFHMCZBD-QWHCGFSZSA-N	226.404	4.700	0	10	BJAE	
CC[C@H](C)CCNc1cc(Cl)c(F)cc1C	1995048196	PELMPQCBYHEAPN-VIFPVBQESA-N	243.753	4.636	0	10	BJAE	
Cc1cc(-c2nc(C3CCCC3)cs2)cs1	1995495693	ANYGJBXQZQBZEZ-UHFFFAOYSA-N	249.404	4.838	0	10	BJAE	
C[C@@H]1CC[C@@H](CC[C@@H](O)CC2CCCCC2)C1	1996263812	BQQLVFGYTYHQBL-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N)c(S[C@H]2CCCC(C)(C)C2)c1	2000047536	IKIARDKLOUJQNP-LBPRGKRZSA-N	249.423	4.638	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CCCC1CCC1	2000294057	ONTSZLWWCATUMA-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
C1CCC(N2CCCC23CCCCCC3)CC1	2000898914	SXAFXXVORXSTBZ-UHFFFAOYSA-N	235.415	4.508	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@@]1(C)C=CCC1	2003322985	DGFGFCJIGPVOBX-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@@]1(C)C=CCC1	2003328639	FOPVDQAGMIRVAS-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1(CC)CCCC1	2004229920	VGPXEZQUOVQPLK-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CC[C@@H](N)[C@@H]1CCCCC12CCC2	2005592907	WRJRJRWETGTWMY-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1CC(CC)C1)NCC	2007749380	MPZURXANSIDEEM-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1CC(CC(=O)C(C(C)C)C(C)C)C1	2007767205	IHRXQXLFOCCMKH-UHFFFAOYSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@]12CC[C@H](Nc3ccccc3Cl)[C@H]1C2	2009131641	OOQQPRYGJCKSAX-OSAQELSMSA-N	249.785	4.577	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C(C)(CC)CC)[C@@H]1CC	2009250473	XHKUYAJKGJVXBT-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CC(N)(C2=CCCCCCC2)C1	2009308306	LSOUTMPNKSIBGP-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CCC2(C)CC2)CC1	2009550867	CFCQHZRYKARWTL-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC=CCCC[C@H](CCC(C)(F)F)NCCC	2009621075	AQXPUGAJJPAIMH-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C1=CC[C@H](C)CC1	2010626485	XZSHCQPLEVOHRV-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](C)NC1CC2(C1)CC2(C)C	2012236642	UTXISOWXFLVCCK-VQCLRJIVSA-N	237.431	4.514	0	10	BJAE	
CCCC1([C@@H](O)CC(C(C)C)C(C)C)CCC1	2015280329	DZMJQRHERFBVRT-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC(C(C)C)C(C)C	2015393853	IEZNHJCDSKNIEY-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
CC(C)NC[C@H](C)[C@H](C)CC(C(C)C)C(C)C	2015411439	ZUXTYLQJFRHUOO-CABCVRRESA-N	241.463	4.575	0	10	BJAE	
CCCC[C@](C)(CC1(CCC)CCC1)C(=O)O	2015635910	RHEGWBOAAHSMLG-CQSZACIVSA-N	240.387	4.628	0	10	BJAE	
CCc1ccc(N[C@H](C)CCC=C(C)C)cc1	2016145043	MVSOKNCVLVGHLA-CQSZACIVSA-N	231.383	4.796	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C(C)(C)CCF	2016759639	MBPWITWNZUKBPN-KBPBESRZSA-N	245.426	4.567	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@@H]2CCCS2)cc1	2016795630	HWNOXGIMIXXJNF-DOMZBBRYSA-N	249.423	4.508	0	10	BJAE	
CCCC1(C[C@@](C)(O)CC2CCCCC2)CC1	2018965375	QLFMOEITLLAKBX-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCC1(C[C@@](CC)(CNC(C)C)C(C)C)CC1	2018983919	BIGDIVGBNCIFTF-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1CCC1)CC1(CCC)CC1	2018993018	YVIKFBRTRKGDJV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC=C(CC)[C@H](CC1CCCCCC1)NCC	2020969009	YEFUBTRVPLEOJD-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](CC1CC(C)(C)CC(C)(C)C1)[C@H](C)O	2024126319	XEWHISDIRPDRFY-GXTWGEPZSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@@H](C)C1CCC1	2026166800	MLFVMCKWBFTHEJ-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)C1CCC(N)(C2=CCCCC2)CC1	2026900086	QYMNYMDIAFSKEQ-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CC)Nc2cc(C)cc(C)c2O1	2027859136	CPAZXCXIIKAKFX-BZNIZROVSA-N	247.382	4.650	0	10	BJAE	
CCCNC[C@@]1(CC2CCCC2)CC=CC[C@H]1C	2027922425	DYHWJUBDBCAQKV-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C1CCN[C@@](CCCCCC2CC2)(C2CC2)CC1	2028645174	QDNIPNGWCVWHQH-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CCC1CCC([C@H](C[C@H]2C=CCCC2)NC)CC1	2035600791	MYTZLVSABQFKNF-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
Cc1occc1CNC1CCCCCCCCC1	2035879456	QKIHNCAMCWFMMO-UHFFFAOYSA-N	249.398	4.571	0	10	BJAE	
C[C@@H](CC1(N)CCC(C2CCC2)CC1)C1CCC1	2037167690	ZTLWTCBGAGSSKL-IGEOTXOUSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@@H](N)CCCCCC2CC2)C1	2037207485	XQKXSGNPPDLSRI-XKQJLSEDSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1c2ccccc2NC[C@H]1C	2037223622	JYFWCQWOICCHES-LZWOXQAQSA-N	245.410	4.904	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@@H]1CCC(C)(C)C1	2037578073	LRKGUFNEBRWDOE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@](N)([C@H]2CCC3(CCCC3)C2)C[C@H]1C	2037591986	LDCXTVDCKUXQQP-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)[C@H]1CCC2(CCCC2)C1	2037753937	APFXCGJDADUOLU-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)[C@@H]2CC23CCCCC3)CCCCC1	2039008597	JBWAOHWEEUGGBJ-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1	2039376002	QGFGDCQVRWVOHL-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1ccc(F)cc1C	2039446485	GYGHUSFUMKSHFR-DOMZBBRYSA-N	247.357	4.538	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)CC(C)(C)CC3(CC3)C2)C1	2040168443	HFJHJGRTRIVNDC-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](NCC=CC1CC1)C1CCC(C)(C)CC1	2040681529	URCTVKWTIWQAJD-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CC=CC1)C1CCC(CC)CC1	2042024711	OHWXGNKGFNKZRW-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@H]1CCC=CCCC1	2045316993	IMWYEMPJVOABAY-GVDBMIGSSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@H]1CCC=CCCC1	2045320462	NAOPILUVSVDDNS-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](N2CC=CCC23CCCC3)C1	2045521515	VOLTXOZMDIHMTL-HNNXBMFYSA-N	247.426	4.530	0	10	BJAE	
CN[C@@H](CCCC(C)C)C[C@H](C)c1ccccc1	2045628077	ACPJEYUZHJHRAE-RDJZCZTQSA-N	247.426	4.595	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CCCC23CCCCCC3)C1	2046563165	BQBBCESGBFBTCW-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
Cc1ccc(OC[C@@H]2CC23CCCCC3)c(C)c1	2047056452	SNPDVSSXQUGPOZ-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
CCCCC[C@]1(CNC(C)(C)C)C[C@H]2C=C[C@H]1C2	2049468245	IGRPGNZZMNMWHV-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CCC(NC[C@]2(C)C=CCC2)CC1	2049978760	IFAJUNDLBKPBTO-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@H]1CC)[C@]1(C)C=CCC1	2050004891	BJOOSFWJECMWIT-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1ccc(C2CC2)cn1	2052658854	UATWRNIIZCLPCP-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
CNC[C@@]1(CCC=C(C)C)CCCCC12CCC2	2053352636	MEMDWVKAFBSONO-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@H]2CCCCC23CC3)C1	2053361849	VBPJZDIVFAQPFY-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](Nc1cnccc1C(C)C)C1CCCC1	2053857376	WQEZQYJQRXSBGP-HNNXBMFYSA-N	246.398	4.586	0	10	BJAE	
CC1CCC([C@H](C)N[C@@H]2C=CCCC2(C)C)CC1	2055528336	REVGXASTUULNBM-BHDPWAOGSA-N	249.442	4.536	0	10	BJAE	
CC1CCC(C)(CN[C@H]2CCCCC23CC3)CC1	2056536995	TXGLLLNDOZBYHY-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)C=C2CCCCC2)CCC2(CC2)CC1	2056877474	ABWMOSGULQPFAO-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CCC[C@H]3C[C@@H]23)CC1	2057356155	BBXUPZQDQXUCPH-SVXVCFNTSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)C[C@@H](C)C2CC2)cc1	2057364854	MXXUNWMIPPREMH-AHIWAGSCSA-N	245.410	4.636	0	10	BJAE	
C[C@H](NC1CC(=C2CCC2)C1)C1(C)CCCCC1	2061255910	HQHJYTQBVVZLLZ-ZDUSSCGKSA-N	247.426	4.578	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC2CC(=C3CCC3)C2)[C@@H](C)C1	2061696573	RKTMDRNEBPXQBA-MQIPJXDCSA-N	246.394	4.518	0	10	BJAE	
COC[C@H]1CC[C@@H](CCC2CC(=C3CCC3)C2)C1	2061720993	QJGZIEDLTUFPSV-HIFRSBDPSA-N	248.410	4.720	0	10	BJAE	
C/C=C/CCCN[C@@H]1CC[C@@H](C)c2ccccc21	2062371793	JJEMTQQIRNKINL-LMIZRQEKSA-N	243.394	4.571	0	10	BJAE	
CC1(C)CC2(CC(C[C@](C)(N)CCC3CC3)C2)C1	2063204780	SZZUOLUTXXEWKQ-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)C1(CC2CC2)CC1	2069514472	SJXLWHVMWVHOKG-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	2070413750	NQCCHHZTUKHVLP-LUKYLMHMSA-N	249.442	4.680	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@]23CCC[C@@H]2C3)CC1	2070968029	RMWMPHDKXLFSKG-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CC[C@H]2C2CCC2)cc1	2071784938	DRPQKLXBWGIXFW-IRXDYDNUSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)C[C@H]1CC=CCC1	2072089763	FBQBNZQSQNFLBQ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CC2(N)C[C@H]3CCC[C@@H](C3)C2)CC1	2072798080	GGINHUCWEGJCKB-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CC=CC[C@@H]2C)CC1	2072805300	AVEQAHFUMNHPHH-OTBWCIGPSA-N	249.442	4.667	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@]1(C)CCC(C)(C)C1	2073068549	UALAUDZAOHHEMQ-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
C[C@H](NC[C@@]12CCCC[C@H]1C2)C1CCCCCC1	2074044425	YTXQGFGIFLCVAZ-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@]2(N)C[C@H]3CCCC[C@]3(C)C2)CC1	2074629536	PUPLTWVXCMGGFC-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@H](C)C1CCCCC1	2074782000	XHTAFEGILCUTRC-LSDHHAIUSA-N	245.410	4.648	0	10	BJAE	
CN([C@H]1CCCC12CCC2)[C@H]1C=CCCCCC1	2074797082	MWFOKNQNPBREIU-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@H]1C=CCCCC1	2075408928	SHZOMNVFAJGBHC-INIZCTEOSA-N	244.378	4.996	0	10	BJAE	
CCCCCc1ccc(C(=O)C[C@@H](C)C2CC2)o1	2077978851	NTUGMBVUFMEAPF-GFCCVEGCSA-N	248.366	4.631	0	10	BJAE	
CCCCc1ccc([C@@](N)(CC)CCCC)cc1	2078008160	SCLBPPRKENPADW-QGZVFWFLSA-N	247.426	4.783	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CCC3(CC3)C2)c1	2078339266	VRXGGBSSUOJTNT-HNNXBMFYSA-N	243.394	4.556	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@H]2C[C@@H]2C2CCCC2)C1	2079845580	ZAXCTFVBGSLUII-UJEKJILKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@](CC=C2CCC2)(CNC(C)(C)C)C1	2081681902	ITJHHHRJTMJMJU-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CC[C@@H](C)[C@@H](C)C1	2081946695	KFDFUERNYORVDF-TYNCELHUSA-N	249.373	4.625	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2CCC3(CCC3)NC2)C1	2082975095	FNIGSORVAAJLOH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](CC2(N)CCC3(CC2)CC3)C1	2082979368	NCNGVIZVXQFVMC-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C[C@H]1CCCC(C)(C)C1)[C@@H]1C=CCCC1	2082983488	SOOGZQJEVHSZHG-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(CC(=O)[C@]23CC[C@H]2C3)CC(C)(C)C1	2082986480	MMPBHYMTSLLOIW-GUYCJALGSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2C[C@H]3CCC[C@H]2C3)CC1	2086162069	JOBKPFGVLHFESB-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1scc(C)c1C	2210568529	YRYDBOFFZKIOLQ-CHWSQXEVSA-N	240.412	4.615	0	10	BJAE	
FC(F)(F)CCCCC=Cc1ccccc1	2210661956	HQAXFQMRUCAWBE-UHFFFAOYSA-N	228.257	4.823	0	10	BJAE	
CC1(C)NCCC[C@@H]1CCCCCCC1CC1	2213575918	KWGSIGHESGNVJS-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1([C@@H](O)CCCCCCC2CC2)CCC1	2213579041	QKWHZRBCIRCZEB-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CCCCC2CC2)C1	2214586728	XJWSVIFKADVVSK-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)C1CCCCC1	2214769446	YQYICNNFRVQKDX-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H]1C)C(CC)(CC)CC	2214966183	ZCUBHMRGGUGXOW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)C1CCCCCCC1	2215247614	KCPGFENALGTCEQ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@](C)(CC)CNC(C)(C)C	2215252832	QQGWORZYOHXTKU-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C(=O)CC[C@@H]2C[C@H]2C)CC1	2215345632	LAZBLOIUMMHJFN-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCC(=O)CC1(C)CC2(CCC2)C1	2215441592	HYJQMRJHIDKSGE-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC(C)(C[C@@](C)(O)C2(C)CCCC2)C1	2215462245	XAUKFZZAHYRIAG-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CN(C)[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216258619	QLODHHSPRHNVOS-RRFJBIMHSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@@H]1CCC1(C)C	2217126863	VAJAKIYLXHKJAY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)N1	2218362623	ZPBIIOQSTZUPFV-OTRWWLKZSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccc(NC2CC(CC3CC3)C2)cc1	2218479525	DEVKPVUCHKYLBY-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2220632301	YVOLDUKIDYGAEP-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](O)c1ccccc1C(C)C	2220858366	DUYHANZACPPLRX-CKEIUWERSA-N	246.394	4.670	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1(C)CC2(CCC2)C1	2220948233	IXPSJOQVYISAKJ-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](NC[C@@H]1CC=C(C)CC1)C1CCCCC1	2221618840	LMQFHMYVJRZDCZ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(C(=O)c2ccc(C)cc2C)CC1	2221642924	KQIRPSLWEQUANJ-KRWDZBQOSA-N	242.362	4.623	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(C2=CCCCCC2)C1	2222255845	HGFKSIJZHQOLLB-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1(NC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCC1	2222933828	OTQGCBYDJFCLJV-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H](CC)CCC	2244774072	FGHQYAIUFJCSQJ-KBPBESRZSA-N	226.404	4.988	0	10	BJAE	
CCC(N)(CC)CC[C@H](C)CCCC(C)C	2244836746	KXSFOWAVZOJVRQ-CQSZACIVSA-N	227.436	4.747	0	10	BJAE	
Cc1c(F)ccc(NCCCCC(C)C)c1F	2246379581	XWKDWGQJMUFMON-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@H]1CCCCC12CC2	2246614283	JFPZHCSREUSREE-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC1CC(N)(CC[C@H]2CCC[C@H](C)C2)C1	2246655371	GERWLQFUHBFCFW-QRNKSROTSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCCC(=O)C(C)(C)C)C1	2246663847	NJHZLIROPWURAY-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C(C)(C)C(C)(C)C	2247118057	UURGGAHFMOWRFU-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CCCCCN(CCCC[C@@H]1C[C@@H]1C)C(C)C	2247161032	YEZGNULDVAWADC-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H](C[C@@H](O)CC1=CCCCC1)C(C)(C)C	2247509404	GTVFRMMNZKTWMH-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CCC1(CNC(C(C)(C)C)C(C)(C)C)CCC1	2247719495	UZAIIMSKEAIIRI-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1Nc1cccc(C(C)(C)C)c1	2249256982	AIRQRLFFLUGYAS-IUODEOHRSA-N	231.383	4.585	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CC1CCC2(CC1)CC2	2250356075	OTCHFQNQNZSNCJ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CNC[C@@H]1CCC[C@H](C)CC1	2250381124	LCVOBSKWMXHKSJ-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1CC[C@H](C)[C@@H]1C	2250468824	IFOSFBJBIMHPJK-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](CC2=CCCC2)C1=O	2251706376	CVEUBOMARWVQBY-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](CC=C2CCC2)C1=O	2251725363	VQEKYSGISYZZBC-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CCC1(C[C@H](N)C[C@@H]2CCCCC23CC3)CCC1	2253834413	ZEHWAJYEHLOBOD-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@H]2CC23CCCCC3)C1	2253964216	UCVZZVOFVHWMPZ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC[C@H]2C[C@@H]2C)cc1C	2254596340	VGHGMFKYSDSSRK-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)CC2=CCCCC2)CC1	2255144053	PRWNQLQHYOUAAO-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
C1=C(COc2cccc3ccccc23)CCCC1	2255186633	QSMAEGVGDPHUQN-UHFFFAOYSA-N	238.330	4.719	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1CCCC12CC2	2255228098	NCLXMHCXJBRITL-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCC1(CC)CC(NCC[C@@H]2CCCC23CC3)C1	2255232800	HDSCEIJFJOUMSK-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CC(NCC[C@H]2CCCC23CC3)C1	2255232801	HDSCEIJFJOUMSK-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@H]2CCCC23CC3)C1	2255314313	AATQBCBLQHDLBX-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C=CC=CCCc1ccc2cc(OC)ccc2c1	2256941925	VCUDGHZAEWQCPG-UHFFFAOYSA-N	238.330	4.523	0	10	BJAE	
CCN(CCCCC[C@@H]1C[C@H]1C)c1ccccc1	2257285892	ZFSPGJHBNNCTOT-HZPDHXFCSA-N	245.410	4.729	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](C)c1ccc(C)cc1C	2259462534	IMVQIJYZCYPNTE-JKSUJKDBSA-N	247.426	4.780	0	10	BJAE	
CC1CC2(C1)CC(C[C@@](C)(N)C1(C)CCCC1)C2	2259578865	XHXIKCWARALUIX-DZTUWMGKSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](N)[C@@]23CCCC[C@@H]2CC3)CC1	2260528986	XSKQGYJOWBNGQP-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC[C@@H]2C[C@@H]2CC)C1	2298134493	CRCXKXHNPABXBB-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@H]1CC[C@H](C)CC1	2300681993	UWPWNNHFDSGOTI-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(C(=O)CC=C(C)CC)cc1	2300875875	ZWFBJIJKZDSRQU-UHFFFAOYSA-N	230.351	4.568	0	10	BJAE	
CCN[C@@H]1[C@@H](CC=C(C)CC)CCCC1(C)C	2300903985	KIDPPXBVZNIZAY-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@]1(N)C[C@@H](C)[C@H]1C)CCCC(C)C	2300904223	MNLSMBYTHSYMQA-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@H](CC=C(C)CC)C1	2300925939	HOJBXVCFSPXDBQ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C[C@@](O)(CC1CCCCCC1)C1CCCCC1	2301137250	GUVMFJPKNOTVMF-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](C)[C@@H](C)CCCC1=CCCCC1	2302325400	HDCNBHKFHJSXKN-LSDHHAIUSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC[C@@H]1C[C@H]1CC)NC	2303587816	OVHNMPFHSISWCS-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@@H](CC1CC1)C1CC1	2303841557	TTYMDKGDIYCHAX-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@H](C)NCC[C@@H]1CCC(C)(C)C1	2304362531	VZLUWDVXJKFRIO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(O)CC[C@@H]1CCC(C)(C)C1	2304399552	NXBVCGYLZFHETL-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)C2(C)CCCC2)C1	2304413135	XTDWQVYMSXUEFY-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)CC[C@@]12CCC[C@@H]1C2	2310384526	RAEWROBNRWEUMD-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@@]12CCC[C@@H]1C2)C1CCCCCC1	2310386906	JEFSUCFJAJTBNL-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)C[C@@]23CCC[C@@H]2CC3)C1	2313348640	JRHCYZLIXMEJNO-BIVLZKPYSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc2c(c1)N[C@](C)(CCCC(C)C)O2	2315890342	AIHAYGJFRKWITG-INIZCTEOSA-N	247.382	4.596	0	10	BJAE	
CCC(C)=CCN1CCCC[C@H]1C1CCCCC1	2316518980	QLXOQSLDELYIAG-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CC=CC[C@H](NCC)c1ccccc1C1CCC1	2316557755	RHPJAVILSZBBOZ-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
Cc1oc(C)c([C@H](N)CC2CCCCCC2)c1C	2317010272	NPAJGSMLJQGFGJ-OAHLLOKOSA-N	249.398	4.565	0	10	BJAE	
CCCN[C@H](CC)c1cccc(C[C@H](C)CC)c1	2317099633	NZNAKZUDOMTYSL-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1NCCCC1=CCCCC1	2318529462	QKVPKJVYEIPPKB-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](CCCC1=CCCCC1)NC	2318537363	FBQUTYJQBADTBA-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCCc1cccc(C(=O)CCCCC2CC2)c1	2318884242	AVWDEAQDBPKXHN-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)C[C@@H]1CC12CCCCC2	2318940078	YYYDVWKXTHLLEU-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=CC2(N)CCCCC2)CC1	2318975346	ASGGHCKUXQDFRD-WKILWMFISA-N	249.442	4.811	0	10	BJAE	
CN[C@@H]1CCC[C@H](C[C@H]2CCC(C)=C(C)C2)[C@@H]1C	2320388439	QHFUVKYUFJZMLV-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C[C@@H]1CC2(CC2)CN1	2321348127	DRQKFPWRMIFNIM-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)C1	2321636278	HIONKLHIRACGHK-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cccc(C(C)C)c1F	2327803750	HEKLOMPLEDBXLM-CYBMUJFWSA-N	249.373	4.940	0	10	BJAE	
CCCCCCSc1ccc(Cl)cc1N	20519808	XFWUFRIAMIIXIF-UHFFFAOYSA-N	243.803	4.595	0	10	BJAE	
CCCCNc1ccccc1Oc1ccccc1	21008640	CALYRBBAPIJATN-UHFFFAOYSA-N	241.334	4.691	0	10	BJAE	
CCC(CC)[C@@H](N[C@@H](C)C(C)C)c1ccccc1	37107777	WQWRZXRCVXXLLG-WMLDXEAASA-N	247.426	4.798	0	10	BJAE	
CCc1ccc([C@@H](CC)Nc2ccccc2)cc1	37223553	FURSJMRIMBANNO-QGZVFWFLSA-N	239.362	4.812	0	10	BJAE	
CCCCC[C@]1(O)CCCC[C@@H]1CCCC	62722071	DDMHYMPKMMODTE-GJZGRUSLSA-N	226.404	4.678	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@H](C)CC2CC2)cc1	70100595	UGJHAXCETTYMBP-ZIAGYGMSSA-N	245.410	4.649	0	10	BJAE	
CC(C)C[C@H](N[C@@H](C)CC1CC1)c1ccccc1	70101748	GKCNBTPOAQNVKC-YOEHRIQHSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(F)c(NC2CCC(C)(C)CC2)c1	79621017	KXWNXHYWOBNHMD-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CSc1cccc(N[C@@H]2CC[C@H](C)C[C@H]2C)c1	85083354	KYZIYKXJLCWTND-YWPYICTPSA-N	249.423	4.645	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1csc2ccccc12	87179299	RKEZTWTYSXWIQH-CYBMUJFWSA-N	248.391	4.761	0	10	BJAE	
CCC[C@H]1CCc2[nH]c3cc(C)cc(C)c3c2C1	87818912	XKDJEYFMEQMEJK-ZDUSSCGKSA-N	241.378	4.690	0	10	BJAE	
CCCCC[C@@H](NC)C1CCC(C(C)C)CC1	87965426	DAPQYZNTQDRMRD-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1cccc2cc([C@@H](CC)NC)oc12	88074916	CLQABSFKBOACBU-SMDDNHRTSA-N	245.366	4.617	0	10	BJAE	
CC(C)(C)[C@@]1(O)CCCC[C@@H]1C1CCCCC1	89661363	DCFBFVOHNVBAIH-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC)CNCC(C)C	104007404	ISRUTSLRKZSBMM-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CC/C=C\C[C@@H](C)c1ccc(OC)cc1Cl	107667604	WSUQXWHTWZFNIX-ISALQUGTSA-N	238.758	4.808	0	10	BJAE	
CCC[C@@H](C)C[C@H](CNC(C)(C)C)CC(C)C	110183729	OIHJGKPJFYMEAQ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](N)c1ccccc1SC1CCCCC1	123219757	RLSYWPDYIPAHTC-AWEZNQCLSA-N	249.423	4.521	0	10	BJAE	
CCC1CCC([C@@H](C)[C@@H](O)c2ccccc2)CC1	129032905	FVKDUHCRXATKKX-ARAOSMHQSA-N	246.394	4.573	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)CC1CCCCC1	161314849	MTCMYVXNINZOFY-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(CNCC)C1CC1	164152467	DKVSMASTXBAXII-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC)[C@H](c1ccccc1)[C@@H](C)CC	166792307	TYCBKIGSUQOWCQ-UAGQMJEPSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)c1ccccc1	225972947	SSNVHRCZIUWHEI-HOCLYGCPSA-N	233.399	4.696	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)c1ccsc1	225988068	UZAFTGWHODYPHT-JSGCOSHPSA-N	239.428	4.758	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H]1CCCC1(C)C	226563908	JHNWUYBUJHNVCF-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@H]1CCC[C@@H](C)C1	227173243	HUMXLWVZOVGHHM-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCNC/C(=C\[C@@H](C)CC)C1CCCCC1	228123137	WKZYQGFOQAKGDU-AOHITCTBSA-N	237.431	4.539	0	10	BJAE	
CC(C)[C@@H](NCCC1=CCCC1)c1cccs1	228585967	XQUOOGIDEVARLN-OAHLLOKOSA-N	249.423	4.535	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2ccc(C)cc2F)C1	235716078	AVBZTCGXERBKPC-TZMCWYRMSA-N	247.357	4.538	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C)CC[C@H]1NCCC	250814254	INNGTFYBIYQIKH-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](C)[C@H](O)c1ccccc1	252901298	KTQOCOCDZGTEKQ-ABFRBSLYSA-N	246.394	4.573	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1C[C@H]2CC[C@H]1C2	252907471	WNGIGVFVLASGFE-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@](O)(C[C@H](C)CC(C)C)c1ccccc1	302299056	HCONGVNKUGUSDW-NVXWUHKLSA-N	248.410	4.747	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cc2cccc(C)c2o1	302306465	FMJMLNSMWVWHRI-NSHDSACASA-N	244.334	4.750	0	10	BJAE	
CCCNC[C@H](CCCC(C)(C)C)C(C)(C)C	302370265	YZEXZMBDBAZWPB-AWEZNQCLSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@@](CC)(CNC)C[C@H](C)CC(C)C	302430113	VGERGNWXNGEHHO-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccccc1C1CCC1	305920174	LUZKCPFODPGPOQ-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C(C)(C)c1ccccc1	305923599	MUWXCNXGUXAHCT-HNNXBMFYSA-N	247.426	4.508	0	10	BJAE	
CSc1cc(C)c2cc(Cl)sc2c1	306895599	NHIJXWPLLSJYND-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Fc1cc(C(F)F)c(Cl)c2ccsc12	306905108	VXGPPEJXVOFBEJ-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@@H](CCC)CC(C)C	308049948	LDDZAYGRWOHQHN-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C(C)(C)C(C)(C)C)C1	310577937	QEUMZMLWTCYHMO-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCC[C@H](N)CCCc1ccccc1	310579702	YDYWKRKOBXGAAS-MRXNPFEDSA-N	247.426	4.553	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2cccc(C)c2F)C1	310718261	PDQQCOXLPHECNY-SMDDNHRTSA-N	247.357	4.538	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CNC1CC1)CC1CCCC1	317700068	BMCBDMLVZYCQPN-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC(C)C)CCCC[C@H]1C	317899882	JGDVJNDTQCRIQY-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@]1(CNC(C)C)CCCC[C@@H]1C	318121315	VPQYKWYBHPPMBI-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCC12CCCC2)C1CCC1	322241853	AKRTZXSNOKPRTH-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC[C@H]1CC)C1CCC1	322484001	VAAYHAWQWIKTPV-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(NCC/C=C\c2ccccc2)c1	323548021	FXGVOJDQKLMCCY-WZUFQYTHSA-N	237.346	4.510	0	10	BJAE	
CC(C)[C@H](N[C@@H]1CCC12CCCCC2)C1CCC1	324786302	JZCHUDYTOPSFLO-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CCC2CCCC2)CC1	328347318	OIWDCLGESLEHQY-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC(C)C1CCC(CNCC2=CCCCC2)CC1	379579363	HHIGSWQQRHWPFG-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C/C(=C/Cl)COc1cc(C(C)C)ccc1C	380873342	MCRPFTKQIFEIJK-FLIBITNWSA-N	238.758	4.640	0	10	BJAE	
Cc1cc(N[C@H](C)CCC(C)(C)C)c(C)cc1O	381097160	PBRDKHCCEAXWAT-CYBMUJFWSA-N	249.398	4.636	0	10	BJAE	
CCC[C@H](N)CCCC1CCC(C)(C)CC1	381309834	NJWLBOBEVUTFAK-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC1(CC(=O)c2coc3ccccc23)CCC1	381339868	KFZKXFJLKGEIQZ-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@H]2CCCC[C@@H]2C)cc1	384563760	SRGBHQUOZOMHGG-JQFCIGGWSA-N	245.410	4.636	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@H]1CC[C@@H](C)C1	386596258	KDRGWTJNLRWWOY-KEYYUXOJSA-N	245.410	4.507	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@@H]1CC1(C)C	394061999	ANSXUABQKCYJMF-JKSUJKDBSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNCCC2=CCCCC2)C1	394604955	HAEUASNDNZNIAR-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
COc1cc2ccsc2c(C(F)F)c1Cl	396187037	PIDSAOMMCRHYCF-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1cc2cc(C(F)F)cc(F)c2s1	396192760	FSTPQLXGGKNIOV-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CSc1c(C(F)F)sc2ccc(F)cc12	396251372	RMNMVLARCYBJEV-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
Cc1c(S)c(C(F)(F)F)cc2ccsc12	396290514	AXFSLBZCFJGRDH-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CSc1cc(C)c2ccsc2c1C(F)F	396403725	IUTGJZMWWLUCSV-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@@H](C)C1CCC1	398723122	GXPGVVWAQBRVQS-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)C[C@H](C)C(C)(C)C	401086101	RETFPYVJKCWARZ-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1=CCCC1)NCCC	401089718	UGIBRMOVJUONQH-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@@H]1C[C@H]1CC=CCC1	402362528	PSPGWYLVJFIJEY-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
C[C@H](CC(=O)c1coc2ccccc12)C(C)(C)C	404355131	ZADONJXNJNXEKN-LLVKDONJSA-N	244.334	4.688	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC(C)(C)C2CC2)C1	405744537	BABUSGUUNRLMHW-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCCC1CC1)C[C@@H](C)CC(C)(C)C	405771402	ZZFKRDFAZKNULW-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C1CCCCCC1	688354911	BTNCTGHWKXPFRR-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCNCC1(CCCC2CCC2)CCCC1	688829795	BENMGEKLTLOFAQ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
Cc1ccc(N[C@H](C)CC2CCCCC2)cc1	689715354	GZAKGXNKSXSJRJ-CQSZACIVSA-N	231.383	4.766	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1cccc(C(C)(C)C)c1	691695657	GJPPZXBBGRBDRY-HNNXBMFYSA-N	248.410	4.844	0	10	BJAE	
CC[C@@H](N[C@H]1CCC12CCCC2)c1ccsc1	693888194	PFHNVOVXKYECTQ-KGLIPLIRSA-N	249.423	4.512	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)CC(C)(C)CC	696185418	GSSCOOFQCGIEQV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](CC(C)(C)CC)NC	696248678	KOMOVJFGDFYMJJ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(NC2C[C@H]3CC[C@H](C2)C3)c1	697722441	BATSIOCQBXDAJG-KBPBESRZSA-N	243.394	4.801	0	10	BJAE	
CC(C)=CCCn1ccc2ccc(Cl)cc21	697792593	ZZADAWPRULLMDT-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](N)(CCC)C1CC1	705366264	JZJKKEHEEOHWEU-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(F)c(NC[C@@H](C)CC(C)(C)C)c1	709106842	PNVYRDZZZSXGQC-LBPRGKRZSA-N	237.362	4.618	0	10	BJAE	
CCC1CCC(N)(C[C@@H](C)CC(C)(C)C)CC1	709147193	SCLDDUSEBPTNGG-HLIUYOAVSA-N	239.447	4.747	0	10	BJAE	
C[C@H](N[C@@H](C)[C@]12CCCC[C@@H]1C2)C1CCCCC1	709157643	WFQZIUINYHDGBN-XJNFMUPTSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCC[C@@H](C)CC(C)(C)C)C(C)C	709182249	BMBSSLRMHNLTBB-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@H](Nc1ccc(C2CC2)cc1)C1CCCCC1	709648028	DFBMLXBHGSMQSF-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
CCC(CC)(CC)CNc1cc(C)c(N)cc1C	710730101	LERDEPDLSACPCR-UHFFFAOYSA-N	248.414	4.514	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@]1(C)CC[C@@H](C)C1(C)C	710770719	SXGIUPAJFJMTEX-ZWUHOBOKSA-N	238.415	4.700	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@H](C)C(C)(C)C	711141915	AJRGUQZIIHPRTH-GFCCVEGCSA-N	229.367	4.632	0	10	BJAE	
CCC[C@H](C)CC(=O)C[C@H](CC)C(C)(C)C	711175741	GJZXSOQHWJHZFT-STQMWFEESA-N	226.404	4.844	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](C[C@H](C)C(C)(C)C)C1	711229393	UDIHMAMYBHHGMZ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1Nc2ccccc2C[C@H]1C	713142689	WCCJPJQWJMRJKZ-CJNGLKHVSA-N	245.410	4.732	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)CC(C)(C)C	713229169	MDFBWZLJVRCVQB-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C[C@@H](CC(C)(C)CC)NC)C(C)(C)C	713235720	RRYLZZWZIWKZGZ-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@@](C)(N)CC1CCCCC1	713266002	RXEAUWPALDUVML-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC(=O)C1CCC(C(C)C)CC1	713359025	TXKIRDGXCISDAC-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C\CC[C@@H]1CCCC[C@@H]1CNC(C)(C)C	713708577	GGMTYMXLKWDZTQ-JTUDCUDASA-N	249.442	4.703	0	10	BJAE	
CC/C=C/[C@H](C)Cc1ccc(C(C)C)cc1	714539536	AQECTWBFOBBLQD-UZYOAWRESA-N	216.368	4.955	0	10	BJAE	
CC(C)=C(C)CCc1c(C)ccc(Cl)c1O	718569912	RPNUMWLSLJEWKX-UHFFFAOYSA-N	238.758	4.643	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@]1(C)C[C@@H]1C	718572820	FZIQAYTXYULKEA-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CSCc1ccccc1CCC(C)=C(C)C	718785424	DZMTXNJOEFQJIC-UHFFFAOYSA-N	234.408	4.839	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCCCC1CCC1	719302944	ZQRCUONNAKLPIV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)c1cscc1C(F)F	720269696	JTBSTQJQZRQASP-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)c1ccccc1C(C)C	721662815	AKTBAQUVQZFRTO-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
CCC=CC[C@H](CC)c1ccccc1OC	1911863767	FSYBZBDWGGPICT-ZDUSSCGKSA-N	218.340	4.545	0	10	BJAE	
C[C@H]([C@@H](O)CCC=Cc1ccccc1)C(C)(C)C	1912123108	XHGCTBRXSISFLN-ZBFHGGJFSA-N	246.394	4.523	0	10	BJAE	
CC[C@H](C)C[C@@H]1CCCCCCCC[C@@H]1O	1913397826	KAFIKMBBIKVJAA-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@H]1CCCCCCCCC1=O	1913411191	MLKGRWHRIFFLRD-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCCC=CCN[C@H]1CCC[C@H](CC(C)C)C1	1914680612	VCWULGLCSMLVOR-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C([C@]2(N)CCC3(CCCCC3)C2)C1(C)C	1915925132	REEJGOSPUJKTFB-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1C1(N)CCCCCCCCCCC1	1920488507	FYKBUAFLVVDMJN-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CC[C@H](NC[C@@H]1C=CCCCC1)C1CCCCC1	1925942567	KKSNZKNSWVUZGC-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(=C2CCC(C)(C)C[C@@H]2CN)CC1	1927148124	VUGJJAWOXUENQY-AWKYBWMHSA-N	249.442	4.668	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cc(Cl)sc1C	1933585638	GFGLFIBEJNBBQK-UFBFGSQYSA-N	246.803	4.570	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC1(C)CCCCC1	1935624325	BDXZAWCILVRMSN-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C(=O)c1csc2ccccc12)C(C)C	1941262381	DBZTUMROTLNIGV-NSHDSACASA-N	246.375	4.766	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@H](CC)C(C)C	1941266709	IXDGZPMACQMFTL-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C(=O)CCCC(C)(F)F)C(C)C	1941272800	NBLCPHXSDKSLNP-LBPRGKRZSA-N	248.357	4.699	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@@H](C)CC(F)F)C(C)C	1941274263	YOYYQPLYTAAUIF-NEPJUHHUSA-N	248.357	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC(C)(CC)CC)CC1	1941357893	UUTYOZPYCVXGIL-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CCCCCC1CC1)NCC	1941585358	FIZFRWZXGNHWOF-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@H](C)CCC(C)C	1942657759	OOBZPMFWPTXSCX-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(CN)CCCC1(C)C	1944475066	HUVQJFOIKMLYKK-CZUORRHYSA-N	239.447	4.604	0	10	BJAE	
Cc1coc(C)c1[C@@H](N)CCCCCC(C)C	1947529874	QWBGQKQAZPWWQO-AWEZNQCLSA-N	237.387	4.503	0	10	BJAE	
CC1CC(CC2(N)CCCCCCCCC2)C1	1947879668	RGJHVBWDMRELBM-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)NCCC1(C)CCCC1	1948327529	PRAXUMRCZKTXFR-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@H](C)CC(C)(C)C	1949017735	LPUIASZCVJTCBU-UONOGXRCSA-N	241.463	4.993	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCC(C)(C)C[C@@H]1C	1949047227	OYWUTGIZIASOGU-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCCNC[C@@]1(CC(C)C)CCC[C@H](C)CC1	1950923254	SLPDROJDLDLBKV-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)N1CC[C@@H](CC(C)(C)C)C1	1962912745	KFVXWMVKMCXVIV-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCc1ccc(N[C@H]2[C@@H](C)[C@@H](C)CC[C@H]2C)cc1	1968314223	QTZSUDSPOIQACM-QDEZUTFSSA-N	245.410	4.732	0	10	BJAE	
C[C@H]1C[C@H]1c1csc(-c2cccc(Cl)c2)n1	1968396974	SOYIHHPBTNGWQY-GZMMTYOYSA-N	249.766	4.587	0	10	BJAE	
Cc1c(F)cccc1NCC[C@H]1CCC[C@H](C)C1	1968648700	QAXYUWVPDVGPSV-GXTWGEPZSA-N	249.373	4.762	0	10	BJAE	
CCC[C@H]1CCCCN1CC(C(C)C)C(C)C	1970607103	SHOTZGUBPPPCAC-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC[C@H](N[C@H]1CCCCC12CC2)C1CC1	1972745201	RZGHHFIREFTJCG-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CN[C@]1(C)CCCCC1(C)C)C(C)(C)C	1973519790	ROMMZIKHRRAZJM-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN[C@H](CC)CCC(C)C	1986937749	KOGNEHZGGDHKTA-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@@H](CC1(CCC)CC1)NC	1990647888	XTHHYHLHPCHZGQ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCCN(CCCC(C)(C)C)[C@@H](C)CC	1990838345	GDIYCOBNSGBCDX-AWEZNQCLSA-N	227.436	4.713	0	10	BJAE	
CCCC[C@@H](CC)N(C)[C@@H](C)CCC(C)C	1990903850	ONEBPZJKQDJQHB-LSDHHAIUSA-N	227.436	4.712	0	10	BJAE	
CCCC(CCC)N[C@H](C)C1(C)CCCCC1	1995979197	APIUKJJGVKKNBK-CQSZACIVSA-N	239.447	4.904	0	10	BJAE	
CCC(C)(C)CNc1ccccc1SC1CC1	1996557243	DIPHFIDCKFFXIP-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CC(C)Sc1ccccc1NCC1CC=CC1	1996570616	PBMUXTHRRQXZEE-UHFFFAOYSA-N	247.407	4.565	0	10	BJAE	
CCN[C@@H](CC(C)C)[C@H](CC)C1CCCCC1	1996595811	YSGRTCIISBXUSO-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2C=CCC2)CC1	1997106254	SLPDLNBDJNXPSQ-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CCC1CCC1)NC	1998029014	AOWALGPKVBXTML-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC1CCC1)CC1(C)CCCC1	1998032451	PIZQOCZKEHELLR-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](O)(CC)CC1CC(C(C)(C)C)C1	1998257561	HDTZZYKFBWQJKX-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@@H]1C=CCCC1	1998379205	BWCQSJYKDNTANT-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)C[C@@H]1CC1(C)C	2000504704	KKXQWAATMLTJJB-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@]1(C)CC=CCC1	2001702027	XLCMDRMLLBEVFO-OAHLLOKOSA-N	249.785	4.807	0	10	BJAE	
CC(C)=CCCN(C)C1CCCCCCCC1	2003168763	HYIVIJHXPYTJOV-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CN[C@@H](CCCC1CCC1)CC1(C)CCCC1	2003184192	HJZBXKDOUHFSIP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C(C)(C)CC)[C@@]1(C)C=CCCC1	2003320759	JTIMKUSUOJEEEH-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CC[C@H](N)C1CCC(C(C)(C)C)CC1	2004232169	DLUMCLYSIANBKF-NRXISQOPSA-N	237.431	4.523	0	10	BJAE	
CC(C)=CC[C@@H](O)C1CC(C)(C)CC(C)(C)C1	2004234385	PYXCNYXFNOUDKA-CQSZACIVSA-N	238.415	4.556	0	10	BJAE	
CCNC[C@]1(CCC(C)C)CCCCC1(C)C	2005584255	VHTMPBPSQHGRME-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC(C)(C)CC)CC[C@H]1C	2006957499	NBBWMCHUFCDZBW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2C=CCCC2)CC1	2007682460	ZUGLNBNZXRPQEC-BBBYJDLNSA-N	234.383	4.518	0	10	BJAE	
CC=CCCCC(=O)c1ccccc1C(C)C	2009572468	OSHMQBWZYFRLET-UHFFFAOYSA-N	230.351	4.739	0	10	BJAE	
C/C=C/CCC[C@]1(CNC(C)C)CC[C@H](C)C1	2009628810	POMWODYISWWVOH-DKLOGILVSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(O)(CCC[C@@H]2CC2(C)C)C1	2009713728	FMELAPWSTKEKHU-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(N)(C[C@H](C)C2CCC2)C1	2009791356	KZCNRQIBHPLZCH-HLIUYOAVSA-N	237.431	4.501	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011973304	NLGCWYLUZQMYKM-QKDCVEJESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CCC(C)=C(C)C	2013310316	YFKNKFUNVFFJKU-INIZCTEOSA-N	239.447	4.879	0	10	BJAE	
CC(C)C(CC[C@H]1CCCC(=O)[C@H]1C)C(C)C	2015391432	ZYZTXXQPJRCNHU-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CCN(C)CC1(C(C)C)CCC1	2017124162	RRIIIHPZOSLBIU-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)C1(C(C)(C)C)CCC1	2017489921	JMAKYHIBRIKDOK-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CNC(C)(C)C)C[C@H]1CC[C@H](C)CC1	2017721860	CFOWQMZMYLNSTK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@H](N)CCCC(C)C)CC1	2017726389	YNULDZSIWQAZKX-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CC1CCC2(CC1)CC2	2017794700	URIKYVLQYRBCEV-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1CCC(C)(C)C1	2018130206	MZYNBLVUHURGQO-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1CCCC(F)(F)C1	2018134960	UJTUATHTOUXPCG-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCCC1(C[C@](C)(O)[C@@H]2CCC[C@H](C)C2)CC1	2018970544	QMUCYLANHICQNE-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@H](CC)CC(C)C)CC1	2018997171	XOOOMFWXHFDYTP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCCCN1[C@H]1C=CCCCCC1	2019125076	XARUQYQQQCDTFT-HOTGVXAUSA-N	235.415	4.530	0	10	BJAE	
CCCCC[C@H](O)C[C@H]1C[C@@H]1C1CCCCC1	2022452062	TUCDSKYMYDHKCM-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC[C@H](C)[C@H]1NCCC	2024001568	SIBWDVLDAHBTGH-DEOFCCLISA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C2(C)CC=CC2)C1	2024102361	RNLHYVWWHWNQHI-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C)Cc1csc(C2(CC3CC3)CC2)n1	2026532347	YZKHRRNDCMOUDI-NSHDSACASA-N	249.423	4.563	0	10	BJAE	
CN(CCCC1CCC1)[C@@H]1CCC12CCCCC2	2027012192	WUJKIAAZYHXKKV-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@H]3CCC[C@@H]32)cc1	2027319155	KBRSEHACAGGWLO-JSQNDZKTSA-N	243.394	4.801	0	10	BJAE	
CN[C@H](C[C@H](C)C1CC1)c1ccccc1C(C)C	2027627031	SYTVLCRYKLMOPV-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H](c1ccccc1C)[C@H](CC)C(C)C	2028262283	JIOQGUNBPJGJAK-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CC[C@H](NCCC1CCCCCC1)c1ccco1	2028789761	UCCXYEHIKNYWOJ-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
CN[C@@H](c1c(C)cccc1C)[C@@H](C)CCC(C)C	2029823120	GTSXUTDCDOYYPV-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1CCC[C@@H]1C	2032477459	BYNZVNONUWUBCB-XJKSGUPXSA-N	246.394	4.933	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](CC)c1ccccc1	2035398782	AOUXRGYEZDPCMP-OIISXLGYSA-N	245.410	4.696	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@H]1CCC[C@@H](CC)C1	2035594650	UXKFJLMCOHFNPI-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)C[C@@H]3CCCC[C@@]3(C)C2)C1	2036661235	OIDXJPNJUQLBGF-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CC1(C)CCCC1	2037105829	SLSVUEGAMZVXSB-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC1(C)C[C@@H]1CCCC1(N)CC(C2CCCC2)C1	2037175832	KXLZUPAXVATPIH-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@@H](N)[C@@H]2CCC3(CCCC3)C2)CCCC1	2037693295	WZNYJOMQFYMAOI-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
O[C@H](C1=CCCCCCC1)[C@H]1CC12CCCCC2	2039056559	YBOKSZVKRRBHBK-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@H](O)[C@@H]2CCC[C@H](C)CC2)cc1C	2039358986	HBNCQJRBQUMHEI-XGWLTEMNSA-N	246.394	4.553	0	10	BJAE	
C[C@H](NC[C@H]1CCCC(C)(C)CC1)c1ccco1	2039379313	YSPHVZAOSLCQGM-KBPBESRZSA-N	249.398	4.537	0	10	BJAE	
CCCc1cccc([C@H](NC)C(C)(C)CCC)c1	2040726030	NXUUKOOBTGDGQL-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H]([C@@H]1CC=CCC1)[C@H]1CCC[C@@H](CC)C1	2042025764	YINCKNHATBIQCR-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(CNC(C)C)CC=CC2)C1	2042091887	PQUKQGOOYHCBNC-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CNC2CC2)CC=CCC1	2042098305	GSRMESMAVHBOQT-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CCC2CCC2)cc1	2042747985	TVBNZOXFVGZWJZ-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
C[C@@H]1C[C@@H]1c1ccc(C(=O)C2CCCCCC2)o1	2045561788	JESXOLAKIWBGOS-YPMHNXCESA-N	246.350	4.556	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CC12CCCCC2)C1CCCC1	2047058650	KWVCDPLZDYRSCT-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C1CC1)[C@@H]1CCCCC12CCCC2	2048117150	DIBJIFKHEOPUMB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CC[C@H](C)CC1)c1ccccc1	2049634169	DTZOULSKQRGLHO-DZKIICNBSA-N	244.378	4.576	0	10	BJAE	
C1CCCCC(N[C@@H]2CCC[C@H]2C2CC2)CCC1	2049681781	PLVBGHVEPYCIEB-DLBZAZTESA-N	249.442	4.658	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2CCC3(CCCC3)C2)CCCC1	2049804374	MEOYDXZHIMHRBJ-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
O=C(CC1CCC2(CC1)CC2)C1CCCCCC1	2049947917	KTNVYRVDJJBTQB-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)[C@]1(C)C=CCC1	2050011168	ZOFRJYUUIPJUEA-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCCC[C@H]1CC1(C)C)c1ccco1	2050524051	AISSTZQMZVTFOE-UONOGXRCSA-N	249.398	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC[C@@H]1CC)c1ccco1	2050528781	WWPLIJQAJKGGIZ-RRFJBIMHSA-N	249.398	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)C12CCC(CC1)C2(C)C	2051409228	PGCOVBNJKNZDAX-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@H]1CCCCC12CC2	2053354979	HWRQPXDJQSNRQO-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1(CCCNC[C@@H]2CCCCC23CCC3)CC1	2053429740	GYGGRRXGZVEYGX-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC1=C(C)[C@@](O)([C@H]2CCC3(CCCC3)C2)CCC1	2055593451	BEFWDYYVYOUTKW-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
C[C@H](Nc1ccc(CF)cc1)C1(C)CCCCC1	2055672201	QDNJTVVDFZUNJX-ZDUSSCGKSA-N	249.373	4.927	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2CC23CCCC3)CC1	2056537443	WZQRYOYTTYJNAK-BBBYJDLNSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C=C1CCCCC1	2056878013	GGGXJCRDFALHPT-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H]1CCC[C@@H](CC)C1	2056879178	QRDKWFBKNXFUKX-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](C=C1CCCCC1)NC	2056880484	AANALUBONXDZND-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@]1(CNC(C)(C)C)CC=CCC1	2059250061	NAPHLWFNXMTZDZ-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@]12CCC[C@H]1C2	2061616826	LYDKWDPTMQIIMV-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@@]12CCC[C@@H]1C2	2061616827	LYDKWDPTMQIIMV-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC[C@]12CCC[C@H]1C2	2061621640	HEGXXWVUTQDDCO-XIRDDKMYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)CC[C@@]12CCC[C@H]1C2	2061636973	GPFGSBBMFJVRMG-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2CC(=C3CCC3)C2)C1	2061729163	SRGDIIAEGGSNBE-ZDUSSCGKSA-N	246.394	4.662	0	10	BJAE	
CC1([C@@H](N)CC2C[C@@H]3CCC[C@H]3C2)CCCCC1	2063540203	GNSLOIBKMIFPFU-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1C[C@H](CCC=C(C)C)CC2(CCC2)C1	2063642770	YGXFLTNTMCIJJE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC2(CC([C@]3(N)CCCC(C)(C)C3)C2)C1	2063798948	PRBVFOJGDXDGBC-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC12CCCC1CCC2	2063908678	JKHZTIZMKUPPDT-NUWOQIAWSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NC2CC3(C2)CC3(C)C)CC1	2064108933	HMERCYACOJEFFM-CBCUQQMYSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@H](N)CC23CCC(CC2)CC3)C1	2065281845	KMYZNBDMHYFNDE-TXOGFHGLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C2CC(C)(F)C2)cc1	2065800294	FCDOSKBSTCSENC-WJFWJRBTSA-N	248.341	4.521	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]2C1)C1(C)CCCC1	2067519087	CMEMXPJUNBHYMG-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068712007	ZHIVYTKQJHSSNE-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C[C@H]1CCNC1CCC2(CCCC2)CC1	2071467712	XSIPYFLYFRIGOE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@H]2CCC23CCC3)CCC1	2071946228	NPLQVSWZXNPDNB-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@H]1CC[C@H](C)CC1)[C@@]1(C)C=CCCC1	2072796618	PZXRVLOOBNUDCJ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2C[C@@H](C)NC[C@H]2C)CC1	2072809833	QRZMHBYOFDHMFA-KLHDSHLOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H]2CC=CCC2)CC1	2072877094	FRKCHOLONWVSFJ-JYJNAYRXSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@@]12CCC[C@@H]1C2	2074645810	GFCZZXQNJIBZNV-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC(CN(C)[C@H](C)c2ccccc2)C1	2074791136	PWUFQMIUBKWCBV-HPUBIQBYSA-N	245.410	4.506	0	10	BJAE	
CCC[C@@H]1CCCN([C@@H]2C=CCCCCC2)CC1	2074797351	PUZWZWVHVHMBCF-IAGOWNOFSA-N	249.442	4.778	0	10	BJAE	
CCC1(C)CCN([C@H]2CCC23CCCCC3)CC1	2075011486	BSFNWMBNCOYHOA-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
O[C@@]1(CCC2=CCCCC2)CCC12CCCCC2	2075711641	ZVYVPSITLZTMIS-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CCCCc1ccc([C@H]2CC[C@H](C)C(=O)C2)cc1	2077923307	KWHRLDIYCPMSKJ-BBRMVZONSA-N	244.378	4.502	0	10	BJAE	
CCCCCc1ccc(C(=O)C2(C)CC(C)C2)o1	2077973308	OJDGTHZVBFMSDJ-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
O=C(C1CCCCCC1)[C@H]1C[C@H]1C1CCCCC1	2079493296	WSSFUODEOQWWRT-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]1C1CCCCC1	2079529250	LIMAXZOOFSRQJE-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2C[C@@H]2C2CCCCC2)CC1	2079630524	WLNIUFHVVZRMJC-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1ccccc1C(C)(C)C	2079654775	DPHUJAVNLGTEQC-KGLIPLIRSA-N	245.410	4.832	0	10	BJAE	
CC1(C)CC[C@]1(N)C[C@@H]1C[C@@H]1C1CCCCCC1	2079658686	BOKRYKGNELCCHZ-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC(C)C)([C@@H]2C=CCC2)C1	2081682442	WGCFOSCYCCVIQR-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C)c(CNc2ccccc2C)c1	2082902957	GQZLEFKTHROJQS-UHFFFAOYSA-N	239.362	4.532	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC1C2(CC2)C12CC2	2086061222	UJLNDJIMOBYRPF-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)[C@H](N)CCCCCCC1CC1	2210525560	RUTWFKOOERKERC-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@](CC)(CN)CCCCC1CC1	2211118630	JBLBRJWXWFTMDZ-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CCC(CC)CC(=O)c1sc(C)c(C)c1C	2211705086	OYJLVAGUYAQJNH-UHFFFAOYSA-N	238.396	4.682	0	10	BJAE	
CCCCC[C@](O)(CC)CCCCC(F)F	2212223885	NAISUWKUXBSMKH-CYBMUJFWSA-N	236.346	4.533	0	10	BJAE	
C[C@@H](C[C@@H](O)CCCCCCC1CC1)C1CC1	2213574139	PTYJFJCLJXSRTM-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CCCCCCC1CC1	2213574650	WKPZJIYFNVZGHQ-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC1CC(CC(=O)CCCCCCC2CC2)C1	2213578043	ICEDMMBDOHPCLX-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)CCCCCCC1CC1	2213583180	PIUYRIOOXTWLOY-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)c1sc(C)cc1C	2213607267	RHYCAQPEFACBDE-MFKMUULPSA-N	248.391	4.540	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)CCCCC1CC1	2214563471	BSUNZUBZOIVTEB-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CCCCC2CC2)C1	2214580991	JRKQQRANHDIDMZ-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCCC[C@@H](N)C1CCCCC1	2214767201	ICUPLKLKBNQBJL-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@H](N)C2CCCCC2)C1	2214769432	YJNVQFBPWDJCME-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@H]1CC[C@H]1C)NC	2214971831	NLQMXQHTYYETQY-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CC[C@H]1C[C@@H]1CC)CNC	2215265874	MNLLDGKZTGYDRR-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNCC)CC=C(C)CC1	2215839165	VAIDYIIEMDZHHB-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1C[C@]1(C)[C@@H](N)CCCCCCCC1CC1	2216878593	VNOKKXIADLMIQX-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CCCN[C@@H](C)CC)CC1	2217159433	NICHTXWTTADWKH-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccccc1C(=O)CC[C@H]1C[C@H]1CC	2220958742	ITANICWBYZKOMV-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
CC(C)(CC[C@H](N)C1(C)CC2(CCC2)C1)C1CC1	2220999087	GLIIVFRMZLJWCG-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@@H](O)C2=CCCCCCC2)CC1	2221612812	APXYYHMNZREBPF-IRXDYDNUSA-N	248.410	4.764	0	10	BJAE	
CN[C@H]([C@@H]1CCC(C)(C)C1)[C@]1(C)CC=C(C)CC1	2221629127	YOBJIYWLYTZRPM-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@@]2(C)CC=C(C)CC2)C1	2221632275	PVTBLHCXCVIJHD-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)c1cccc2ccoc12	2224177075	GDPSQPMVBRUQMR-WFASDCNBSA-N	245.366	4.505	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)c1cccc2ccoc12	2224181665	QUWJLXFONCBABA-SWLSCSKDSA-N	245.366	4.520	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1c(C)sc(C)c1C	2243612111	IYKOUEIFJPOEKT-ZDUSSCGKSA-N	240.412	4.533	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(Cl)cc1F	2244803306	YHLAGOPSOAOLMF-SNVBAGLBSA-N	243.753	4.717	0	10	BJAE	
CC[C@H](C)C[C@@H](N)CC[C@@H]1CCCCC12CC2	2246631684	UTQCLKAFJVLCBD-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](CC1=CCCCC1)NC	2247498665	DDUHDJAITUAMMR-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C[C@H]([C@@H](N)CCCCC[C@H]1C[C@H]1C)C(C)(C)C	2248815397	OZHQVYRAJGZWMC-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
FC(F)[C@H]1CCC[C@H]1CCC1CC(=C2CC2)C1	2249193782	NRIYUWQKBUQKNB-JSGCOSHPSA-N	240.337	4.948	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1C[C@H](C)C[C@@H](C)C1	2250364900	GJBASZBUNSROIA-LUYZLQTOSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H]1CCCNCC1	2250469178	LWVGPRDMQDUXEY-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)[C@@H](N)C(C)C	2250469607	QGUUVKFPPGVLTF-JYJNAYRXSA-N	241.463	4.848	0	10	BJAE	
CCC[C@H](CC[C@H](C)CCCC(C)C)CNC	2250528269	MGWDAKMDZKSLAC-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2C=CCCCCC2)C1=O	2251709126	VPZNQCOUAYRVIQ-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCN(c1ccc(F)cc1)[C@@H]1CCCC(C)(C)C1	2253416935	SLFFMOCIZBRSER-OAHLLOKOSA-N	249.373	4.621	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCCCC12CC2)C1(C)CC1	2253803143	FJBNHDRTMWNEGD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NCC1CC2(CCCC2)C1	2254084412	OWBURKFMWRYCQM-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CC2CC3(CCCC3)C2)C1	2254110712	WENMADAWMCRNJL-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)Oc1cc(C(C)=O)ccc1C	2258835730	MAOWMPHBKAJQSU-OAHLLOKOSA-N	248.366	4.545	0	10	BJAE	
CCCC1(CC(=O)[C@@]23CCCC[C@H]2CC3)CCC1	2260550048	QWFXGENFSKGVBS-WMLDXEAASA-N	248.410	4.886	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@]12CCC[C@H]1CC2	2260572400	AWYONGGIOGTRLS-WMLDXEAASA-N	242.362	4.538	0	10	BJAE	
N[C@H](CC[C@@]12CCCC[C@@H]1CC2)CC1CCCC1	2260624523	URRYKGOMKYENCS-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H]1[C@@H](CC2=CCCCC2)CCC1(C)C	2261423461	BOSLEQBFELQMBK-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)C1=O	2261437351	ZNPGXEDLZYAZHF-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1C(C)=CCC[C@@H]1C	2300674881	ZFYMDJSLCZUTTI-CWRNSKLLSA-N	238.415	4.556	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H]1CCCC[C@H]1CC	2300876462	GXVRLAXDRRPSQV-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCC(=O)c1cccc(C(F)F)c1	2300919864	AIRMBCYBEGDOMY-UHFFFAOYSA-N	238.277	4.553	0	10	BJAE	
CCC(C)=CCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2300921996	VJBMJHQPWQADSD-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](C[C@@H](C)[C@@H](C)C(C)C)C(C)(C)C	2301833881	UVIXJPYXPDKJLT-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@H](C)C(C)C)C(C)(C)CC	2301841546	WEOWADWBURIUCS-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](N)CCC1CCCCC1	2301954225	XZMWZUBDLJGMGP-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CC1(C)CCCCC1	2302611445	CXLAPYNTGZZRSL-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC1CC(CCC(=O)C[C@@H]2CCC(C)(C)C2)C1	2302873621	LQQRZLSFMVIVLK-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC1(O)CCCCCC1	2303505015	BSWAGZJYLAURDA-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@H]1CCC(C)=C(C)C1	2303577668	QIDXZAIYMPRMSD-BPUTZDHNSA-N	237.431	4.667	0	10	BJAE	
CC1=C(C)C[C@@](N)(CCC2CCCCC2)CC1	2303578062	AUALUJVQPSBNJJ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@@H]1CCC[C@@H](C)C1	2306838374	ZQFWZIDJHWTOQT-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC[C@H](C(C)C)C1	2307822065	GWEZYYSGKRYIOH-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@H](CC)CCC)[C@@H]1C	2307910144	XJRJPWQMAXYTMQ-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CC[C@@H]2C[C@@H]2C1)C1CCCC1	2309169129	CDJUWEDHBUWBDG-MJBXVCDLSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NC[C@@]12CCCC[C@@H]1C2	2311127025	ZCMGIOQCITUTKQ-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@@]23CCC[C@@H]2CC3)C1	2313348444	HIZHDTKVZQAKMU-PVAVHDDUSA-N	249.442	4.502	0	10	BJAE	
CCc1ccc([C@@](C)(N)CCC(CC)CC)cc1	2316272456	DFBISDDPYIXYRZ-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC(=CCOc1cccc(O)c1)CCCC(C)C	2316493703	YFGIQYFRQDEAOM-UHFFFAOYSA-N	248.366	4.544	0	10	BJAE	
CC(=CCNCCC1CC=CC1)CCCC(C)C	2316499596	PQRYICVEADSJSK-UHFFFAOYSA-N	249.442	4.705	0	10	BJAE	
CCCc1ccccc1[C@@H](CC=C(C)CC)NC	2316537942	UIWDPZCGCOQWJQ-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316690534	MPOAIVYIKYNBGJ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)CC2CCCCCC2)CC1	2316874456	RIHCAFPRTGCFSK-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CCCCCCc1nc2ccc(C3CC3)cc2[nH]1	2317181598	BKNPWGJSOPBUTP-UHFFFAOYSA-N	242.366	4.563	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@H]1CC[C@H](C)C1	2317568866	XACYFMNDJPVHCK-AAEUAGOBSA-N	245.341	4.525	0	10	BJAE	
O=C(CCCC1=CCCCC1)C[C@@H]1C[C@H]2C[C@H]2C1	2318513733	YYVGTPMSINTUND-MUJYYYPQSA-N	246.394	4.662	0	10	BJAE	
C1=C(CCCc2c[nH]c3ccccc23)CCCC1	2318572544	GKVQEWFNTJSCDA-UHFFFAOYSA-N	239.362	4.991	0	10	BJAE	
CN[C@@H]1C[C@@H](CCCC2=CCCCC2)CC[C@@H]1C	2318591656	ANWPDFRZTVNGOE-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)C1(CC2CC2)CC1	2318592802	MPTDCFLRSRFGPE-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@]12CCC[C@@H]1CC2	2318889202	UUGNRMJDOWZSGG-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC[C@H]2CC[C@@H]2C2CC2)C1	2319751218	VSRJEVIWYAHAQC-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC2(N)CC(C(C)(C)C)C2)CC1	2320348601	RULARALEOUZYED-HPUBIQBYSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@](N)(C[C@H]2CCCC3(CC3)C2)CC1	2320386863	AZDWWEJLGUXCLI-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CCNC[C@]1([C@@H]2CCC[C@@H]2C)CCC(C)=C(C)C1	2320394442	POCPDQJCTWTBDW-UAGQMJEPSA-N	249.442	4.539	0	10	BJAE	
CC1([C@](C)(N)[C@H](CC2CC2)C2CC2)CCCCC1	2320784113	MGUVQVIHWUZOFN-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H](CC1CC1)C1CC1	2320817348	UQNQUTDKDUVIHR-KBMXLJTQSA-N	248.410	4.598	0	10	BJAE	
Nc1ccc(C=Cc2cccc(C3CCC3)c2)cc1	2343796763	DQAZXLSRDHRJDX-UHFFFAOYSA-N	249.357	4.707	0	10	BJAE	
CC(C)c1ccc(NC2CCCCC2)cc1	19772325	ZFXITOFLJPPMNQ-UHFFFAOYSA-N	217.356	4.555	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1	20008819	ZOWUNQPLHQWAKV-OHFALNGGSA-N	245.410	4.552	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCC[C@@H](C)C1	21813707	CWYMRFJTSHMUTI-ZIAGYGMSSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)c1cc(C)sc1C	37315018	JXZLVJNQXXFBPX-PWSUYJOCSA-N	239.428	4.594	0	10	BJAE	
CCc1ccc([C@H](C)Nc2ccccc2F)s1	41202516	XOGCZYDDCIUNOC-JTQLQIEISA-N	249.354	4.623	0	10	BJAE	
CC[C@H](O)c1ccc(-c2cccc(C(C)C)c2)o1	54107392	VYSYBYAIMBGIDC-AWEZNQCLSA-N	244.334	4.513	0	10	BJAE	
CCCC[C@H](CC)CCC[C@@H](N)CCC	70741835	OKDAWULMBQRCGL-KBPBESRZSA-N	213.409	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccc3sccc3c2)C1	70761058	IPNYZHXGVZYUAG-PWSUYJOCSA-N	231.364	4.502	0	10	BJAE	
CCC/C=C\CCCCCCCCC(=O)O	83332374	DECRAQHRGOCKEG-PLNGDYQASA-N	226.360	4.548	0	10	BJAE	
CC(C)c1ccc(-c2cccc(Cl)n2)cc1	84025807	RLGVEKZERMKBJD-UHFFFAOYSA-N	231.726	4.525	0	10	BJAE	
CCCN[C@H](c1ccoc1)C1CCC(CC)CC1	85081153	ZPYIRNRRDSCQDG-XUJLQICISA-N	249.398	4.537	0	10	BJAE	
CCc1ccccc1O[C@@H]1CCC[C@@H](CC)C1	85151187	OIYFGMQBQNFCCS-UKRRQHHQSA-N	232.367	4.597	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC2CCCC2)CC1	86939010	HTGSYIDAZLVDDL-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@H](C)CCC	87399087	LRUACTFUSVJGIA-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC(C)(C)C1	87770873	HLJLOSXIUYSXQC-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(C)c([C@H](C)Nc2ccsc2)cc1C	90866450	DWXNSUXKRAFKFG-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CCCC[C@H](C)NCC1(CC(C)C)CCCC1	94873831	YZIDPVVSMJZBCI-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)ccc1F	109957577	INHWZHQUWFPBGL-BXUZGUMPSA-N	249.373	4.761	0	10	BJAE	
CN[C@@H]1CCCc2c(C(C)C)cc(C(C)C)cc21	110268397	BDRLTMQAPRCQIU-QGZVFWFLSA-N	245.410	4.530	0	10	BJAE	
CCCCC[C@@H](N)C(CC)(CC)c1ccccc1	110462961	KADXNWWRUOGRPP-MRXNPFEDSA-N	247.426	4.652	0	10	BJAE	
CCC[C@H](N[C@H](C)C1CCCC1)c1ccccc1	112392335	FZOIDZIARORJNG-PBHICJAKSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCCCC(C)C)CC1	134295101	HGSRHARNFKBVRQ-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc(C2SCCCS2)cc1	149122265	XDJBXINMWLBJAP-UHFFFAOYSA-N	238.421	4.679	0	10	BJAE	
CCCCC[C@](C)(O)c1cccc2ccsc12	163188121	VIFKMWMBHZLART-HNNXBMFYSA-N	248.391	4.689	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCCC(C)C)C1	165473250	PSTOZUKXDLBSBL-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1C(C)(C)C1(C)C	167134379	NXFUCMIWTXDZCF-OLZOCXBDSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CCCC[C@@H]1C(C)C	214431821	OZVHADBOBVRGRU-XHSDSOJGSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cccc(Cl)c1C	220257639	UUWCSOPUMXUQBQ-JTQLQIEISA-N	238.758	4.657	0	10	BJAE	
Cc1ccccc1C1([C@H](C)F)CCCCC1	220340369	QZYSODLFWIKJLO-ZDUSSCGKSA-N	220.331	4.555	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2c(C)cccc2F)C1	224953586	ALSGHCNYLUWWGG-STQMWFEESA-N	235.346	4.515	0	10	BJAE	
CCCN[C@@H](c1c(C)cccc1C)C1CCCC1	233161339	POBGGRGVBVKBNJ-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H](C)c1c[nH]c2ccc(C(C)(C)C)cc12	233861424	HZBWGVUBHAUXCA-LLVKDONJSA-N	229.367	4.979	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2cc(F)ccc2C)C1	235678205	CXQRLADQPFTGDC-RISCZKNCSA-N	247.357	4.538	0	10	BJAE	
Cc1cc(C)c([C@H](O)C2(C)CCCCC2)c(C)c1	235909003	QEZCVMDTLLDAGX-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
C[C@@H]([C@H](O)c1ccccc1C1CCC1)C(C)(C)C	302509464	YPTNNMJXNUOCIN-LRDDRELGSA-N	246.394	4.670	0	10	BJAE	
CC(C)C[C@@H](C)CCCC(=O)c1ccccc1	304195410	WZSHWJYOLSENQZ-AWEZNQCLSA-N	232.367	4.722	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1cc2ccccc2s1	304537421	RSTYCBKBDCHRCW-NSHDSACASA-N	246.375	4.766	0	10	BJAE	
C[C@@H](CNC(C)(C)C(C)(C)C)C1CCCCC1	310551075	GKWGTYQOPNCBSS-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@@H](N)c2ccccc2C(C)C)CCCC1	310889962	YEHXJENDKZPVNU-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CC3CCC2CC3)CC1	311106766	VNFRDKYAGMXQEN-PYVGIJRLSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)C)CCC[C@H](C)C1	317011172	AACPZJXURYWUOM-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@](CNC2CC2)(C2CCCCC2)C1	317609392	OWXJQIRGRSHOBA-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)c1cccc2ccccc12	319084660	BJIRXIYDAIKCHZ-DCGLDWPTSA-N	241.378	4.522	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1ccc(C(C)C)cc1	319483936	GJCQAFUROAVEDS-ZENOOKHLSA-N	234.383	4.526	0	10	BJAE	
CC[C@H](C)[C@@H](C)n1ccc2cccc(Cl)c21	319524162	ACPJHDGHTHORLE-WDEREUQCSA-N	235.758	4.902	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)c1c(C)cccc1C	381454374	RZHHQOOSNMHHHL-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)[C@H](C)CC	383150992	OLIZIQBYSRODBT-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)C[C@H](C)c1ccccc1	384314808	MTAWZFWHXHABPC-USXIJHARSA-N	246.394	4.512	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1cccc(Cl)c1F	384655637	VCFHTULUOLGMIO-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
CC1(C[C@H](O)c2ccccc2C(C)(C)C)CCC1	386152269	CVWUNAGGRFOWIQ-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCc1ccc(NC[C@H](C)C(C)(C)C)cc1C	393958874	MPDRCTVBJCSXAE-ZDUSSCGKSA-N	233.399	4.652	0	10	BJAE	
CCC(CC)[C@@H](C)NC[C@H]1CCC[C@@H](CC)C1	394566778	MOQSMRGYAWEXRM-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCc1cc(C(F)F)c2c(C)csc2c1	396228373	VJGATWSFOSCSRB-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1ccc(C(F)F)c2cc(S)sc12	396243797	NYAKMYRZMJNXEK-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C[C@]2(C)CC)CC1	397488550	XNPNJCVNZFUOEQ-QXSJWSMHSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C[C@@H](N)C1CCCCCCC1)C1CCC1	398653732	LXPNEHQAVUNSCR-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCc1cccc([C@@H](NC)[C@@H](C)C(C)(C)C)c1	399239506	DPWATVKRMYKVHM-CJNGLKHVSA-N	247.426	4.582	0	10	BJAE	
FC(F)(CCC1=CCCC1)c1ccccc1	401174052	VAJBLIFVXGYWJQ-UHFFFAOYSA-N	222.278	4.669	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)c1cccc(C(C)C)c1	688919608	DKPHESCCCIFBLT-WBVHZDCISA-N	245.410	4.564	0	10	BJAE	
CC(C)c1cccc(C(=O)CC2CCCCC2)c1	688971655	RPPAQRRQOIWHGQ-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCSc1cccc(NCC(C)(C)CC)c1	689683384	SZISPRJNQLJQSV-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CCC[C@H](N[C@H]1CCCCC[C@@H]1CC)C1CC1	691038999	ORDCDOMZXIBBJN-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CN[C@@H]1CCCCC[C@@H]1C(C)C	691164503	IJGAFINHFHPDMZ-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@H]1CC2CCC1CC2)C1CCCCCC1	691705323	UBIPHEYHSUMCPD-ZBCRRDGASA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](/C=C1/[C@@H]2CCCN[C@@H]2C1(C)C)CC	693765125	VJQFGQNHKFOWGX-MJCMXYOGSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1N[C@@H]1CCC12CCCCC2	693800973	BOLJAMYVLXPHQV-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@H](C)CC	696642955	BVUCRMRJSFYIIH-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)c1cccs1	696651526	JKKRRCQQUGWBKN-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
CCCCc1ccc([C@H](O)CC(C)(C)CC)cc1	697292782	RKQACYURPLEATD-MRXNPFEDSA-N	248.410	4.889	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC(C)(C)CC1)c1ccco1	697579546	GCPDCHVNNUPAKX-KGLIPLIRSA-N	249.398	4.679	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1ccc(F)cc1C	697771545	LNRAOPHTNVNLLZ-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H]2C[C@H]2C(C)(C)C)cc1	699951141	FNBMHNULAJPYEL-XHSDSOJGSA-N	246.394	4.526	0	10	BJAE	
CCCCC1CCC(N)(C/C(C)=C\Cl)CC1	700765705	NHZVKTQTCJKTGZ-QXMHVHEDSA-N	243.822	4.597	0	10	BJAE	
CC/C(=C\[C@H]1CC2CCC1CC2)CNC(C)(C)C	701073387	DCZTZXKRMAYNOW-JBYIFCMHSA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H](CC)CC(F)F	701539670	WRBGMVLXVQZKAY-DGCLKSJQSA-N	249.389	4.602	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)c1ccc(C2CCC2)cc1	702218484	IFXPZKXAWMTJDI-QGZVFWFLSA-N	242.362	4.573	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)[C@@]2(C)C[C@H]2C)cc1	704372188	MRDJYPHYXUERRW-PXAZEXFGSA-N	244.378	4.603	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1)[C@H](C)CC(C)(C)C	704728077	KPDUDFYOXMFPIS-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@]1(N)CCCC(C)(C)CC1	704832080	ILAMSVULRLGCRE-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(N)CC2CCCC2)C1	707685084	VCSNPCDBTHYFCR-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@H]1CCCCC[C@H]1CN)CC(C)(C)C	709076993	IEIGTVQKBXKNTM-KFWWJZLASA-N	239.447	4.604	0	10	BJAE	
Cc1ccc([C@@H](CO)C[C@H](C)CC(C)(C)C)cc1	709102008	LJUMWBOLJCYVNU-GOEBONIOSA-N	248.410	4.533	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1ccc(C2CCC2)cc1	709231662	AEOFUFYZEDOWDE-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C1CCC2(CC1)CC2	709942835	NDDXWWJRXZINSP-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C[C@H](C)C(C)(C)C)C1	711229496	VAKBYFDPMVWMDH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@H](C[C@@H](C)CC)C1CCCCCC1	711290969	AMNZKWJKSPRFKU-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1C[C@H]2CCCC[C@H]21	712393066	WBJLGVLGQCZBBW-UXIGCNINSA-N	249.785	4.639	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1C[C@@H]2CCCC[C@@H]21	712393084	WESWMJCPIJOQCC-SGMGOOAPSA-N	249.785	4.639	0	10	BJAE	
CC[C@@](O)(CC(C)(C)C(C)C)c1cccc(C)c1	713184967	WBDVEGVYBLEIGU-QGZVFWFLSA-N	248.410	4.665	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CCCC[C@H]1C(C)(C)C	713239661	AJNZZACHWPJICP-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)C[C@@H](CNC(C)C)C1CCCC1	713249658	FYDQNORQIULVDT-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1CC(C)(C)CC	713263138	JAROOVRPGRBUNR-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@]2(C)C[C@@H]2C)cc1	714709987	NYKPKYINGIFFDZ-XEZPLFJOSA-N	231.383	4.658	0	10	BJAE	
CCCC(CCC)N[C@H]1CC(C)(C)CC[C@H]1C	717531522	INRUTHNMKSTVEX-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1CCC(C)CC1	718651893	KPEMPEUMHUOUNR-BCLQGDPASA-N	237.431	4.537	0	10	BJAE	
CCCNCCC=C(C)C[C@@H]1CCC[C@H](C)C1	1883836375	MYQSXQHZYWMIPS-GOEBONIOSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)c1ccc2c(c1)CCC2(C)C	1901883938	ADBQPCZNAICJPC-UHFFFAOYSA-N	216.368	4.814	0	10	BJAE	
CCC(CC)CC[C@@H](N)CCCCC1CC1	1902164756	HWMHLVARURCXSB-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)c1ccsc1C	1905360432	LOFXBVYNAXGSJL-OCCSQVGLSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H](CC)CC(C)C	1905435002	OIEIQUSIFYGODK-KGLIPLIRSA-N	226.404	4.844	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@@H](C)C1CCCCC1	1910660515	FDSUBBIPCYYBDX-BPLDGKMQSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@](N)(CCC)C1CCCC1	1910820479	HRMDQOZTNUMLDK-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CCCC1(C)CC1	1919969417	JEDQXXDCJRYMEJ-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCCCCC1(CNCC)CC(C(C)C)C1	1921206602	GTLUUUSRWHOWON-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC[C@H]2CC2(C)C)CC1	1921541911	UOSOUCIHCJORMB-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@H](C)C1CCCC1	1924083572	LWOWKGZPACSHFP-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)[C@H](C)C1CCCCC1	1924113106	YUKYVIRISWAPEU-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CCNC[C@@H]2C=CCCCC2)CC1	1925942141	FSBPTSBLGJKITA-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc([C@@H](O)CC(CC)CC)cc1CC	1926380103	QDIFRXKWCXFDFA-KRWDZBQOSA-N	248.410	4.671	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@H](C)C1CCCCC1	1926385090	GDQPXODDGHOBCT-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc(O[C@@H](C)CCC(C)C)c1C	1937172659	CSGAZQTXYCQILH-ZDUSSCGKSA-N	220.356	4.507	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCC[C@@H](C)CC1	1939896726	ZUGCWSZRWKYNML-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CC1(C[C@H](O)[C@@H]2CCCC2(C)C)CCCCC1	1940405711	DHYLPZWFSVAAPL-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@@H](O)CC2(C)CCCCC2)CCCC1	1940405720	DKHLAYRJKOWAIV-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CCCC1(C)CCCCC1)C1CC1	1940411008	UVWRPCREOSCEFB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCCC1(C)CC1)NCC	1940863022	KFLJVPYKBUBYPZ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC1(CCC[C@H](O)C2CCCCCCC2)CC1	1940868973	JAZCLTFRHDXXGT-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@H](C)CC(F)F)C(C)C	1941274265	YOYYQPLYTAAUIF-RYUDHWBXSA-N	248.357	4.555	0	10	BJAE	
CC[C@](C)(CNCC(C)C)[C@H](C)CCC(C)C	1942656211	LUGDDXJDHLEYNA-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@H](C)CCC(C)C	1942657323	DSQXAAROPLIAGT-CQSZACIVSA-N	232.367	4.558	0	10	BJAE	
CCC[C@@H](C(=O)CC1CCC(F)CC1)C(C)C	1944539450	LDDZHUYFNJWMSU-JXQTWKCFSA-N	242.378	4.546	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)CC1CCCCCC1	1944791443	UQJOEPPBPKJEJK-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)C(C)(C)CNC(C)(C)C1CCCCC1	1945375396	UAPLBSQVSHPQLP-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)CCCCCC2CC2)C1	1945580694	AEQSWWNZPVTIHB-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H]1CC12CCCC2	1948143973	KYQADGUAQFHLFO-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@](C)(N)[C@H]1CCC2(CCCC2)C1	1949402808	MROHWWBOGREBKR-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCC1(C)CCCC1)CC1CCCC1	1949863744	GIFFDVMTANTUAH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H]1CCCC(F)(F)CC1	1950013067	WWRMJFSVIMHFHF-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)c1nc([C@@H](C)CC)cs1	1960043438	DIFONTUAMJRGIH-QWRGUYRKSA-N	225.401	4.950	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccc(C2(C)CC2)cc1	1967843741	KVAKXIVEXCZVLJ-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
CC[C@@](N)(CCCC(C)C)C1CCCCC1	1975997280	IGIATQHNSWNAQW-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCCC(=O)C1(C)CCCCCC1	1978449836	GEAPMOZMOZHEOJ-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCC(CC)(CC)C(=O)CCCC(C)(C)C	1978451160	DMRMUDZVQJHABU-UHFFFAOYSA-N	226.404	4.988	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1csc(C(F)F)c1	1978582153	IBLCHKWVLREBQR-GZMMTYOYSA-N	248.338	4.545	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CC(C)(C)CCC1=O	1994035910	DEUMAHPYVHRUKS-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CC(C)Cc1coc2c(F)c(F)c(Cl)cc12	1995462249	UYVHJQCSUUCBSS-UHFFFAOYSA-N	244.668	4.563	0	10	BJAE	
C[C@@H](CCC(=O)CCC1CCCCC1)C(F)F	1996108543	SKAVYKYGAKMGQQ-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CCC(C)(C)C)CC1	1997107707	DKXXQQIKIKIJRL-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CC2CCCC2)CC1	1997117781	SXJWIBZAKNCANN-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCC[C@@H](C(C)C)CC1	1997195733	LEQXSAGVJDHRHV-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C1(C)CC=CC1	1997546640	OKAYUBCQVFXEIS-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
O[C@@H](CC1=CCCCC1)C1=CCCCCCC1	1998388314	ZIVBWIZCTAACKQ-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1CC2CCC1CC2	2000194285	ZNKCBWUGPMXQMC-YMAMQOFZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)C1(C(C)C)CCC1	2000389602	FNTBKGRSMJAWGG-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCNCC(CC)(CC)[C@H]1CCC[C@H](C)C1	2000499059	GUSNBFSADZYJRY-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC12CCCCC2)C(C)(C)C	2001252286	AQBAAIHMDAEQDC-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@H]1CC12CCCCC2	2001267013	ZGRBELSRUHOWGP-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1[C@H]2CCCCC[C@H]21	2002213059	XDWTVDPXEBUPDZ-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(O)C1CCC(CC)CC1	2002928563	YSFOZNCZMPSYAU-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(N(C)C2CCCCC2)CC1	2002952601	YDDFREYHPDZWFE-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CN[C@H]1CCCCCCC[C@H]1CC1CCCC1	2003116402	INURSHPACMILLL-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@H]1CCCC2(CC2)C1	2003207218	CMIURINJDMBVNX-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1cc2ccccc2s1	2004233973	NHBSUYMWWPHEEQ-ZDUSSCGKSA-N	245.391	4.518	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@H](CCC(C)(C)CC)C1	2006623245	HZMGVGFCMROUOK-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C)C[C@@H](NCCC)C1	2006625476	XRVYLDQBNOUTAQ-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC=CCCC[C@@H]1CCCCCCC[C@H]1NC	2009628341	NEYBFZYLHMNLBV-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CC3(CC3)C2)c(Cl)c1	2012407547	CBCRUTSHPRMIML-NSHDSACASA-N	249.785	4.639	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CNC)CCC1(C)C	2014858952	OAPLEXFZUXLEJC-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@@H](C)C[C@]1(O)CCCC12CCCCC2	2015269232	GSUZDXBKMKZKGY-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)C[C@H](C)C(C)C	2015397360	HUOHAJPYHQZZLF-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC(C(C)C)C(C)C	2015398998	LVXHDSHXZGSMTG-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CNc1cccc(C(F)F)c1)C(C)C	2016109176	LBHKVYZNPXULRC-LLVKDONJSA-N	241.325	4.718	0	10	BJAE	
CCC1CCC(C[C@H](N)C2CCCCC2)CC1	2017731707	UWHXOMCDLRAGPL-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@H]2CCC[C@@H](C)C2)CC1	2018922589	AKCVVXVIPKSYOQ-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CCC(=O)c2ccc(C)cc2)CC1	2018941292	ZAMDZABMOBCZMZ-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCN(C1CCCCC1)[C@H]1C=CCCCCC1	2019126078	HYMVLWRNQRIMRM-HNNXBMFYSA-N	235.415	4.530	0	10	BJAE	
CCC(CC)(CC)CNCCCCC(C)(F)F	2023298947	GGGIPCLADDJBCM-UHFFFAOYSA-N	249.389	4.618	0	10	BJAE	
C[C@@H](C[C@H](C)[C@H]1CC[C@H](N)CC1)CC(C)(C)C	2023551561	UVYUXEIEOGDEEV-AJNGGQMLSA-N	239.447	4.602	0	10	BJAE	
CCCCCCC(=O)c1cc(C)cc(C)c1C	2024076406	MMARGFDVGGOJSQ-UHFFFAOYSA-N	232.367	4.765	0	10	BJAE	
CN[C@H](CCC[C@@H]1CCCC(C)(C)C1)C(C)C	2024091211	GGIUNWIBMWMPBY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1CCCC(C)(C)C1	2024096544	VPRWXVBQIXZSGR-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)C[C@H]1CCCC(C)(C)C1	2024129743	XPPGHJCWEUTFEV-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CCCNC1CCCCCC1	2026167175	POGGFUJSUDIWBH-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)c1ccc(C2CC2)cc1	2028594030	SPJBYIFLVQEIOU-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@@H](CCCCCC1CC1)[C@@H]1CC12CC2	2028635176	XVTFJAQHRGUFOE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC1(CNCC2(C3CCCCC3)CC2)CCC1	2029736406	QCYFYGJEVXSPPK-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccccc1C=Cc1ccc(N)cc1	2031660658	OZFVRPVCYWERNC-UHFFFAOYSA-N	237.346	4.563	0	10	BJAE	
CCCCc1ccc(NC[C@@H]2CC[C@@H](F)C2)cc1	2032947820	KKLCYYAZQRNMJY-HUUCEWRRSA-N	249.373	4.579	0	10	BJAE	
Cc1coc(C)c1[C@H](N)CC1CCC(C)(C)CC1	2035532924	ILLOQCLCIDAQPC-CQSZACIVSA-N	249.398	4.503	0	10	BJAE	
CC(C)NC[C@@H]1CCCCC[C@H]1C[C@@H]1C=CCC1	2035592802	PXEFKHVGKQZKDZ-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CCC[C@H](C)C1	2035597997	DMTHEILNOAGPQU-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
O[C@]1(C[C@@H]2C=CCCC2)CCCCC12CCCC2	2035600711	QGUKJGMWMIZVNK-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(NC[C@@]23CCC[C@@H]2C3)CCCC1	2035893050	XUHRSYSXOWIRMM-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1cccc(C2CC2)c1	2036354872	NPFBERWMPLDVSA-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@]1(N)CCC2(CCCC2)C1	2037177986	JDGBEFATEVCOOT-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H](C2(CNC(C)(C)C)CC=CC2)C1	2037687876	VHICZUGSYZQGFE-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@@H]1CCC[C@@H](C)CC1	2039364080	UZWZMPDPYWIZGG-FMKPAKJESA-N	249.398	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2C(C)=CCC[C@@H]2C)C1	2039453729	VAVOPLXIMMSMKQ-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCCC1)C1CC=CC1	2042025923	ZKVZVLKKLTWTHM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
N[C@]1(C[C@@H]2CCC=CCCC2)CCC2(CCC2)C1	2045303998	ACFBXYVYTOVBIR-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)[C@@H](C)C1CCC1	2045326857	QRVBFNKKCDPTGK-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCCCCC2)c(C)c1	2045609588	GPDVEULGOTWAHA-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
OC1(C[C@H]2C=CCCC2)CC2(CCCCCC2)C1	2046232333	VVYBMEIGAAEKNK-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CCN(C[C@@H]2CCC=CCCC2)CC1	2046557812	FZPIBRXKGIRMQA-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
C1CCC(NC[C@@H]2C[C@@H]3CCCCCC[C@H]32)CC1	2047410911	WJKWLBUQNIKBIU-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CC[C@H](NC[C@]2(C)CC=CCC2)CC1	2047723792	OTEQUIFVCLQLPL-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
N[C@@H]1CCCCCCC[C@@H]1C[C@H]1C=CCCCC1	2049702557	YJSIPBLRZUJPPE-GVDBMIGSSA-N	249.442	4.811	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2CCCC3(CC3)C2)CCC1	2049962560	FZBPDMCDWAJDPH-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@H]1NC[C@@]1(C)C=CCC1	2049978225	CBOBEBNWASHCPW-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCC1CCC([C@@H](NC)[C@@]2(C)C=CCCC2)CC1	2049997695	PPFMHOJRVHUIID-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@H](C)C1)[C@]1(C)C=CCCC1	2050000950	SMBNHLWJBSFCRJ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC(=O)c2cccc(F)c2)C1	2050495549	VHAPGUZHZCZJIB-OLZOCXBDSA-N	248.341	4.615	0	10	BJAE	
CC1(C(=O)C[C@H]2[C@H]3CCC[C@H]32)CCCCCCC1	2052502951	OXGIGAJKVYWLTQ-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
FCc1ccc(N[C@H]2CCC[C@@H](C3CC3)C2)cc1	2055677749	KIFUDDKDFWRPOM-ZBFHGGJFSA-N	247.357	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@@H]1CCC2(CC2)C1	2056457666	QPRWIYXMKDPWEU-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C=C2CCCCC2)c(C)c1	2056862309	HNIGPOQXLBJMGD-INIZCTEOSA-N	244.378	4.536	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C1(C2CC2)CCCC1	2057603195	DIXSRZNYNKTOQT-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@H]1CCCCC12CC2	2059172865	PFYVDFCIVWQBKV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N)(C2[C@H]3CCCCC[C@H]23)C1	2059491139	DPZSQKUOXPJSFR-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)P(C1=C[CH][CH-]C=C1)C(C)(C)C	2059959832	HSZFEOJUIPVTIW-UHFFFAOYSA-N	222.312	4.928	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C1=CC[C@H](C)CC1	2060911758	ZRYDHWWAESESNV-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C)CC1)C1(CC)CCCC1	2060921738	NFWITAGWFSWYEA-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@@H](NC)C2=CC[C@@H](CC)CC2)CCC1	2061152024	XHQNRCXKKPGKMJ-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)C1CC(=C2CC2)C1	2061648499	XJTSRLQFTQPETM-MLGOLLRUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)[C@]3(C)CC3(C)C)C2)C1	2063208655	QBFCNAWOKIRMJK-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(N)(CC2C[C@H]3CCC[C@@H]3C2)CC1	2063491474	RPJPQPMLNAXHAB-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
CCCc1cccc([C@@](N)(CC)CCC(C)C)c1	2065993501	TZVCMBNXGGWTLD-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
C[C@H](N[C@H](C)C12CCC(CC1)C2)C1(C)CCCC1	2067509635	SBVNYMJIUUHAOI-FSOQPWQOSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](Nc1ccc(C2CC2)cc1)[C@H]1CCC1(C)C	2068288084	QDXIGOYVFLOTBQ-MLGOLLRUSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068771407	OITIGYKUVFUQQK-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068778179	ICIWPIDTFGEJRB-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(CNC2(CC3CCC3)CC2)CC1	2069584971	KVHOUXFFLYSQML-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@@H]2CCC(C)=C(C)[C@@H]2N)CC1	2072807398	VVGLECYPUBCWKI-GQGLESIBSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)[C@@H]1C[C@H]2C=C[C@H]1C2	2073290035	ZUBYRCSAGGTDPJ-WOYTXXSLSA-N	249.442	4.536	0	10	BJAE	
CC1(C[C@@H]2CCN[C@H](C3CCC3)C2)CCCCC1	2073771667	IVFPFPHEPYTCEW-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@]12CCCC[C@H]1C2	2074025160	MMBIWZKWTAEBJJ-UAGQMJEPSA-N	249.442	4.645	0	10	BJAE	
CCC1(C)CCC(N(C)C[C@@H]2CC=CCC2)CC1	2075169167	ZCYFJIPLSAYTKE-KLAILNCOSA-N	249.442	4.633	0	10	BJAE	
C1=C[C@@H](N2CCC3(CCCCC3)CC2)CCCC1	2075402397	XBBODOMVEVFPIO-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
O[C@]1(CCC2=CCCCC2)CC[C@H]2CCCC[C@H]21	2075720463	IMCRHFVKIUCQKP-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H]2CCCC(C)(C)C2=O)CC1	2076444800	WTPVKHAVHQDHNB-DZGCQCFKSA-N	248.410	4.764	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1C[C@H]1C1CCC1	2079347404	YPEBYFSPJNSRFQ-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1NC[C@H]1C[C@@H]1C1CCCCC1	2079638507	CVMYUMYRZVLLIL-HZPDHXFCSA-N	243.394	4.623	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H]2C[C@@H]2C(C)(C)C)cc1	2079840951	FYEWBTAMLAVPNN-GJZGRUSLSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CCC[C@@H]1CCCC[C@H]12	2081117570	FJXOBDAHEHCKFF-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)C[C@H]1CC12CC2	2086350551	LYZSHHXLVACCSX-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C1CCC1)[C@H](N)CCCCCCC1CC1	2213572776	AEMPXWQIWXMFTJ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C[C@@H](O)CC[C@H]1C[C@H]1CC)C(C)(C)C	2215233483	OEJJQRLEAUCJMM-QPSCCSFWSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@]1(O)CCC[C@H](C(C)(C)C)C1	2216252455	KFMRMFAYSJIITC-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@H](CCCCC(F)F)NCCC	2216461420	ZIBLWSPJCIOXGN-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CCCCC(F)F	2216503755	SWDOOWCVPLESNE-CYBMUJFWSA-N	249.389	4.568	0	10	BJAE	
CCCCCC[C@@H](CNC1CCC1)CC(C)C	2217124627	JCFILTKNJKEHBK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](C)(CNC1CCC1)CC1(C)CCCC1	2217140358	VZNMHXXJDPHPBG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CN[C@H](C)CC)C1CC1	2217146167	WRSCSSYLOUYOSV-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218325451	PERYHTYDYOBHLN-CQJMVSDSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218327360	INMVGERDTJYXQF-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CC(=O)C2C[C@H]3CCC[C@H](C2)C3)CC1	2218339014	ZILOJMHVUVYBHX-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@H]1CCC1(CNC2CC2)CCCCCC1	2220882897	YJLJSIQZRZEEMC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H]2CC23CCCC3)CC1	2221640819	PHRORMJOQPORNP-GOEBONIOSA-N	246.394	4.662	0	10	BJAE	
CC1=CC[C@@H](CN[C@@H]2CCCC(C)(C)CC2)CC1	2221668820	RIUIQGSPIWOUCU-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)CCCC12CC2	2223119919	GMZYXRNKMYHUSX-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@H]1C[C@@H]1C1CC1	2223130895	SANGISMBBKGBNY-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@@H]1C[C@@H]1C1CC1	2223130897	SANGISMBBKGBNY-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)NC[C@]1(C[C@H]2CCC[C@H]2C)C=CCC1	2223588152	GIRQDLPEAWBWMD-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC1=CCCCC1	2243256618	VIVNDUVNVNLPDX-LBPRGKRZSA-N	222.372	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCCC2(C)C)C1	2246730595	FQDQSTIMIUQRFL-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)CC1CC2(CCCC2)C1	2246768540	AWTWZLXXBRKCOJ-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@](O)(CC)CCCC[C@@H]1C[C@H]1C	2247129390	NWSFHZVFFFGDEH-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@]1(C)CC=CCC1	2247174668	GYXBARFGEHVMEF-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
CCC[C@](O)(CCCCC[C@H]1C[C@H]1C)C1CC1	2248869303	HEOSMLZKIZCBFE-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@H](CC)CCC	2250355409	AXMCWQITDOYJSI-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2250361641	OQCROGASUVFTSN-YJNKXOJESA-N	238.415	4.844	0	10	BJAE	
CCC(F)(F)C(=O)CC[C@@H](C)CCCC(C)C	2250480306	FNZUQEXWFDRTSK-LBPRGKRZSA-N	248.357	4.843	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCCN[C@@H]1C	2250515124	VWVDAZRTJUYCAZ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@](N)(CC[C@H](C)CCCC(C)C)C(F)F	2250516389	IDXQMDUIOIYMMT-OCCSQVGLSA-N	249.389	4.602	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@]12CCCC[C@H]1CC2	2251125585	KUIHCAQTQUQQCR-XJKSGUPXSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CCCCC12CC2	2253805144	LLDCADVJAFYXON-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2(N)CC(CC3CC3)C2)C1	2253994408	DVCOCBIDESPTSY-VBJONLRCSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC1CC2(CCCC2)C1	2254105337	FJYXBAUSWLBEIM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@@H]1CCC1(C)C	2254832967	NKWWNARDMXABOF-BBRMVZONSA-N	246.394	4.670	0	10	BJAE	
CC[C@H](C(=O)C[C@H]1CCC1(C)C)c1ccccc1	2254959996	LQXGNZIKQQOVOD-CABCVRRESA-N	244.378	4.576	0	10	BJAE	
CCc1cccc(F)c1N[C@H](CC)C1CCCC1	2256143551	DQYTTZRXWKEHGG-OAHLLOKOSA-N	249.373	4.769	0	10	BJAE	
CCCC[C@H](CC)Oc1ccccc1C(=O)CC	2258835436	YBLKFHXPHGWJLH-ZDUSSCGKSA-N	248.366	4.627	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC2CC3(CC(C)C3)C2)C1	2259583454	UHMVPWWFLIXALZ-ZOWMAVEFSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1C[C@@H](N)C12CCC2	2259678666	NOPQJGUMCDIHOS-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@@]12CCC[C@H]1CC2	2260508762	REYFLAUQNUUQIF-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@@]23CCC[C@H]2CC3)CC1	2260601495	DMGXAKRFJRSOPS-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)([C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2260615567	JDQUUCRUOPMYFC-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CC[C@@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2261493825	SXQHECOVIVHYCT-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@H](N)C1CCC(CC)CC1	2300683306	IDQSMZZTNDWLJS-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1CC[C@H](C)C1	2300881573	SUTKPMWAJHFTGZ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@H](N)C[C@H]1C[C@H]1C)CCCC(C)C	2300914244	PDFVWPWXVBHPEJ-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CCNC[C@H](CC1CCCCCC1)C(C)(C)C	2301243574	DAIOAUXTSROCEM-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)C[C@H]1CCC=CCCC1	2301896510	IZRLWGAOGKIPTN-HRCADAONSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C[C@H](O)[C@@H](C)[C@@H](C)C(C)C)C(C)(C)C	2301951935	FKCFPRMDWKKEQJ-XQLPTFJDSA-N	242.447	4.738	0	10	BJAE	
C[C@]1(CCCC2=CCCCC2)CCCCCN1	2302323013	MCBRBMVDUSOYII-MRXNPFEDSA-N	235.415	4.579	0	10	BJAE	
CN[C@H](CCCCCC1=CCCCC1)C(C)C	2302358849	KRMRUTIAMQSQPJ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
C[C@H](CC[C@@]1(C)CCCCN1)C1CCCCC1	2302539909	OUOQFOMFHRMRIO-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CCC1(N)CCCCC1)C1CCCCC1	2302565428	FYRGLJNXQMNLSZ-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)CCCCC1CC1	2302569337	JOUPLGNYVBJXFK-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@](N)(CCCCCC2CC2)CC1	2303469967	HWWUIXYDVVJIIU-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CC[C@H](C)C2)CC1	2303603530	UDDLPABQNHVIDI-NILFDRSVSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](CC1CC1)C1CC1	2303664058	ZTEOKZGUMGTLAO-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CCCCC(C)(C)NCC[C@H]1CCC(C)(C)C1	2304366650	MJJZQYMYBLQPGC-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(C(C)C)CCCCCN1	2307824136	UUMUGTHOCTYXEF-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CCC)[C@@H]1CC1(C)C	2307826071	ILDKTPKBTDOCSF-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CC(C)=C[C@@H](C)C1	2307844542	OBXZDYHMYCLSCT-OEAJRASXSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](CC[C@@]23CCC[C@@H]2C3)C1	2310379917	KIJPDOFGBOXNLR-JYYAWHABSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2310971003	RQCWEFNSADPRQO-BVUBDWEXSA-N	249.442	4.523	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H]2CC[C@@H]3C[C@H]23)CC1	2311021613	XBPRAYQTKNKMKY-NCOXYXGASA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1C[C@@H]2CC[C@H]1C2	2312902543	FLOWCAOMFQZGHV-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H]1[C@H]2CCCC[C@H]21	2316505317	ZDJSMAMHJTUHAU-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)c1c(C)coc1C	2316540277	SQAAOWAUFSKTBB-HNNXBMFYSA-N	249.398	4.684	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1NC1CCC2(CCCCC2)CC1	2316586172	OIJHFNCEBYWVJG-FOLVSLTJSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316701517	OQDURSLLEZNNIB-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CC1CCCCCC1	2316879629	GFCAIMVXAHCVHW-USXIJHARSA-N	249.442	4.667	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@@H]1C=CCCCC1	2317906728	JZMGYIKCAZCBJH-IAGOWNOFSA-N	247.426	4.731	0	10	BJAE	
C[C@@H]1[C@@H]([C@]2(N)CCCC23CCCCC3)CC1(C)C	2318259594	SWDMKTQGXSACGL-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@@H](NCCCC2=CCCCC2)CCC1	2318543956	UEVPJFNQPGOARX-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
CC(C)c1cccc([C@H](N)CCC[C@@H]2C[C@H]2C)c1	2318939007	PCCIDMHYJVNMEQ-FRFSOERESA-N	245.410	4.636	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CC[C@H]2C(C)(C)C)c1	2320258132	KFECTBGRFQFIES-UKRRQHHQSA-N	244.378	4.640	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H]2CCCC23CCCC3)CC1	2320412636	KIESBWOKKGMZRB-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1	2320425750	ZZFMJJARQYGOBR-QXSJWSMHSA-N	246.394	4.518	0	10	BJAE	
CCC1(C[C@H](NC)c2cccc(C(C)C)c2)CC1	2320515832	HGNPRUAZBLZCJY-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(CN)CCCC23CC3)C1	2321640189	SFPMGMXFWDSLFD-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)CCCC3(CC3)C2)C1	2321646345	WLYFQVRWVLEQKG-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](c1cc(C)ccc1C(C)C)C1(C)CCC1	2327680227	JAVRIMHCXLBJQQ-INIZCTEOSA-N	245.410	4.569	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@H]3CC[C@H]32)c1F	2327804914	WOIYMSIHJWVHNG-MRVWCRGKSA-N	247.357	4.550	0	10	BJAE	
CCC[C@@H](CC)CN(C1CC1)[C@H](C)c1ccco1	2328098348	UZGRXCDDLQJJCK-ZIAGYGMSSA-N	249.398	4.631	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)c1ccc(C)c(C)c1	2328282021	LWSNMPFBBAAFSK-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)c1cccc(C)c1	2328283483	XUFDPGYCPUOCIR-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)c1cc(C)cc(C)c1	2328295675	WOZWIFCCFVXPNI-NVXWUHKLSA-N	247.426	4.694	0	10	BJAE	
Cc1cc(Cl)cc2cc(-c3cccs3)[nH]c12	1519088	IDHSTISIEOTPDK-UHFFFAOYSA-N	247.750	4.858	0	10	BJAE	
CC(C)(C)c1ccc(-c2csc(C=O)c2)cc1	16947837	NQJLDUNCTHXCSW-UHFFFAOYSA-N	244.359	4.525	0	10	BJAE	
CCC[C@H](C)CNc1ccc(C(C)(C)C)cc1	19979566	WSDLDXRYSPYLRX-ZDUSSCGKSA-N	233.399	4.832	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(F)cc1F	21519332	QAMVCNDJLAEURR-JQWIXIFHSA-N	241.325	4.592	0	10	BJAE	
Cc1cccc(S/C=C/c2ccccc2)c1	33733661	RDLZMFSZNUOGEH-ZHACJKMWSA-N	226.344	4.758	0	10	BJAE	
CCN[C@H](c1c(C)cc(C)cc1C)[C@@H](C)C(C)C	70123324	VQSQGIZIDWSAFU-RDJZCZTQSA-N	247.426	4.555	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)[C@@H](C)C(C)C	70123739	DGBBYUBJVOHKIQ-WMLDXEAASA-N	247.426	4.753	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(CC)CNC(C)(C)C	71128177	ADLGDASWMWJZIH-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@@](C)(CCC)CNCCC	82441805	AJUBKZCECLLCBG-OAHLLOKOSA-N	227.436	4.763	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1C(=O)C1CCCC1	82609577	UYMFDEYQAKZDDC-UHFFFAOYSA-N	244.378	4.665	0	10	BJAE	
CCC[C@H]1CCC[C@@H](Nc2cnccc2C)CC1	86946902	BVIBZWFLHBMZRC-LSDHHAIUSA-N	246.398	4.551	0	10	BJAE	
CCCCCCC(C)(C)CCNCC(C)C	87957616	CMGFUEBTVOUUAP-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
Cc1ccc(C)c(NCC2CCC(C)CC2)c1	89575559	DUSURUJSDPYPSS-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CCCCC[C@@H](N)c1ccc(C(C)(C)CC)cc1	90482788	VAIXBTKJZPHPST-MRXNPFEDSA-N	247.426	4.954	0	10	BJAE	
CCN[C@H](C(CC)CC)C1CCC(C)(C)CC1	94676688	ALWCUZQTNWUGLN-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2CCC[C@@H](C)C2)cc1	103929381	DHRUXEFPMOOHFR-CZUORRHYSA-N	244.378	4.819	0	10	BJAE	
C=C=C(CCCC)c1ccc(Cl)cc1	106488956	SQVGPZYTZRGZDY-UHFFFAOYSA-N	206.716	4.699	0	10	BJAE	
Cc1ccc(NC2CCC3(CCCC3)CC2)cc1	129216916	YIDJWOORPNSHTN-UHFFFAOYSA-N	243.394	4.910	0	10	BJAE	
CC1(C)CC[C@H](Nc2ccc3ccccc3c2)C1	129321456	ZPHQBUNSQCSEQK-INIZCTEOSA-N	239.362	4.830	0	10	BJAE	
CC(C)Cc1csc2ccc(Cl)cc12	146769740	XBRSPLYHWHTVPN-UHFFFAOYSA-N	224.756	4.753	0	10	BJAE	
CCCC(CCC)[C@H](O)c1cc2ccccc2o1	159223114	REZXOFYGJVQIRZ-INIZCTEOSA-N	246.350	4.683	0	10	BJAE	
CCCC(O)(CCC)[C@@H]1CCC[C@@H](CC)C1	163754569	LEAWVEAJKMYEAL-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](c1cccc(CCC)c1)C(C)(C)C	165745566	WXMRDUOXHGWHEA-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1cc(C)oc1C	167103971	YOQJTEQJVFDVCC-DZGCQCFKSA-N	238.371	4.536	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC2CCCCC2)CC1	203698376	MAAVRWSUAFFJMP-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC(C)c1ccc(NC/C(Cl)=C\Cl)cc1	211265506	JFIDAXRTCNETPF-YRNVUSSQSA-N	244.165	4.541	0	10	BJAE	
CC(C)(F)C1(c2cccc(Cl)c2)CCC1	220500848	DDROIOJXZCWZCK-UHFFFAOYSA-N	226.722	4.510	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCCCC1CCCC1	225042616	NTORFEDQBBVELH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC(=O)CC1CCCCCC1	229445377	OCSYABPGRTWLJA-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1(C)CCCCC1	232995932	CJSCNOYHZBEWCT-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
Clc1c(-c2cccs2)[nH]c2ccccc12	238531049	UGSULEZGIWUATK-UHFFFAOYSA-N	233.723	4.550	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CCC1CCCCC1	300917895	KUXVGNQXQMJOJN-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@H]1CCC[C@H]1C	302281321	JEOXBSXPOVVIMO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@@H](C)CC(C)C)C1	302339483	LUSCTRAXQHQSSA-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCC(=O)C1CCC(C)(C)CC1	304163483	YJKHDDIRUSOSPC-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H](C)CC(C)C)c(C)c1	304165168	IYUDFULTOKEYFB-ZDUSSCGKSA-N	232.367	4.558	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H](C)C[C@H]2C)cc1C	305951559	CYLKITFCZBXGHD-DXCKQFNASA-N	245.410	4.794	0	10	BJAE	
Cc1csc2c(Cl)cc(C(C)(C)C)nc12	306948190	RXMQEACHUBDIAV-UHFFFAOYSA-N	239.771	4.556	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)c1cccc(C)c1C	308005659	CLARMGDUGREVIF-WBVHZDCISA-N	248.410	4.799	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@@H]2C=CCCCCC2)C1	310658149	RSCNDYYUWWJSIX-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1ccsc1Cl	312545647	OGGOFOPWSLQWNQ-LLVKDONJSA-N	245.819	4.618	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@@H]1CC)C1CCCC1	313422747	FOJUACPQYCEMSY-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)[C@]1(CNCC)CCC[C@H](CC)C1	317314715	TZWRDCCVOKELBF-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@]1(CNC(C)(C)C)CCCC[C@@H]1C	318809398	XVVOHNFVGPMHJF-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC)CCCC/C=C\c1ccccc1	324225547	ZOARYKVFTCNPTI-SAYIFAPPSA-N	245.410	4.648	0	10	BJAE	
CCC[C@H](O)CCCCCCCC(C)C	383167490	RNIWEKILFMALPH-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@@H](C)[C@@H](C)C1	383184613	NRDYBFZHUMFRAU-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CNc1cccc(-c2ccc3ccccc3c2C)c1	384431545	VLOGFEZGXOCVJP-UHFFFAOYSA-N	247.341	4.857	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2CCC[C@H]2C)n1	384969138	IEWAEBBRPCLTBQ-GHMZBOCLSA-N	237.412	4.734	0	10	BJAE	
Cc1cccc2c1ccn2CC1CCC(C)CC1	385283660	LYVFNMFPAYQPDF-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
C[C@@H](CCC(C)(C)C)Nc1ccc2c(c1)CCC2	385366627	MMQFHTFFONBXHD-ZDUSSCGKSA-N	245.410	4.802	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)c1ccc2sccc2c1	386217642	JANYWDCUAAWXFY-XHDPSFHLSA-N	247.407	4.583	0	10	BJAE	
CC[C@@H](Nc1cccc2ccsc12)C1CC1	386261675	VTRLYQHOPVEVCP-GFCCVEGCSA-N	231.364	4.502	0	10	BJAE	
CCCCCC[C@H](CC(C)(C)C1CC1)NCC	405723778	IZJJEYYFUAQBJW-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@]1(O)CCCCC[C@H]1C(C)C	691125368	DFCGDPBDSDXNRN-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H]1CCCCC[C@@H]1C(C)C	691169153	SQDXPFZQVNCLBV-ARFHVFGLSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCC1CCCC1	691189664	UWKRIURLXPESDT-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCC[C@@H](C(C)C)C1	696807653	SYVNVZNETIFUQL-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCC[C@H](O)c1ccc(CC(C)C)cc1	697606768	UBYJUKHKTRMRBU-KRWDZBQOSA-N	246.394	4.665	0	10	BJAE	
CCCc1ccccc1OCCC1=CCCCC1	699534983	BPRXSBZOCCWFOB-UHFFFAOYSA-N	244.378	4.908	0	10	BJAE	
Cc1c(Cl)cccc1O[C@H]1CCCC[C@H]1C	704931522	FEIYXQQNMOIGAI-MFKMUULPSA-N	238.758	4.606	0	10	BJAE	
CCC[C@@H](NC[C@@H](C)CC(C)(C)C)C1CCC1	709077594	TUCWATCGTHIDEV-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc([C@@H](CO)C[C@@H](C)CC(C)(C)C)c1	709107883	ZMIDBTMBSCNXNH-GDBMZVCRSA-N	248.410	4.533	0	10	BJAE	
CC[C@@H](C[C@@H](N)c1cc(C)ccc1C)C(C)(C)C	711054349	OZHZYGZMRBZKQG-GOEBONIOSA-N	247.426	4.766	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(O)CCCC(C)(C)CC1	713146603	TYBINOAIEFWTMX-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
C=C/C=C/CCN[C@@H](CC)c1cccc(Cl)c1	713505841	YZQHNMLUMIGXIM-NFAHFFEMSA-N	249.785	4.513	0	10	BJAE	
C=C/C=C/CC[C@@H]1C[C@H](CC)CC[C@@H]1CNCC	713710095	MKVBPKFAVYGRJP-RMGSUIBPSA-N	249.442	4.561	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714389711	CVOQYUHPPYUVGZ-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
C/C=C/[C@H](NCCC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714434499	CZAVKNBFLXMWSW-XLKGRYIHSA-N	249.442	4.537	0	10	BJAE	
CC/C=C/C[C@H](CC)c1ccc(C)cc1	714547596	YWWIRIXRZWDNBZ-UZYOAWRESA-N	202.341	4.845	0	10	BJAE	
CCCNC/C(=C\[C@]1(C)C[C@@H]1C)C1CCCCC1	714599044	WROLKBFNBQKQBM-GBPLSBDBSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C[C@H]2CC2(C)C)CC1	722586220	LQVRPIKLXPWHCX-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H](N[C@@H](C1CCCC1)C1CC1)C1CCCCC1	723959365	IRVHLEBIHIGHDT-DYVFJYSZSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(N[C@H](C2CCCCC2)C2CC2)CC1	723984713	YOOAYPIJGYEUQF-QGZVFWFLSA-N	249.442	4.658	0	10	BJAE	
CC(C)=C(C)CCCC1C[C@@H](C)O[C@H](C)C1	724862418	HLKOFVIRBYZLFS-ZIAGYGMSSA-N	224.388	4.717	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CNC[C@@H]1CCC=CCCC1	1179763103	FJWVIBPCZGDYLP-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)CCCC(C)C	1462263463	TZOIRPCVUJQHCU-HZPDHXFCSA-N	239.447	4.926	0	10	BJAE	
c1ccc2c(c1)CCC[C@@H]2SCCCC1CC1	1613498690	SZBXDZQHPMWOPW-INIZCTEOSA-N	246.419	4.987	0	10	BJAE	
C[C@@H]1[C@@H](C/C=C/c2ccccc2)CC1(C)C	1901826418	PIQJDFZZWIBABR-BTMYIEMMSA-N	214.352	4.772	0	10	BJAE	
Cc1cc(C(F)(F)F)ccc1CC(C)(C)C	1901923257	WWSQZKWUBVQNPH-UHFFFAOYSA-N	230.273	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)c1ccsc1C	1905360430	LOFXBVYNAXGSJL-JSGCOSHPSA-N	239.428	4.533	0	10	BJAE	
C[C@H](CC(=O)C1CC2(CCCCC2)C1)C1CCC1	1912615010	AHDFOVCKRDKHOF-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
Cc1cscc1NC1CC2(CCCCC2)C1	1912729980	MQFDEEDDGCIPJP-UHFFFAOYSA-N	235.396	4.581	0	10	BJAE	
CCCC=CCNc1ccccc1C(C)(C)C	1914675556	JWEQGIMMXNLAIH-UHFFFAOYSA-N	231.383	4.752	0	10	BJAE	
CCCC=CCNc1cccc(O[C@@H](C)CC)c1	1914692212	BFHSYOADJIFMIE-AWEZNQCLSA-N	247.382	4.632	0	10	BJAE	
CC[C@@](N)(C[C@@H](C)CC(C)C)c1ccc(C)cc1	1919458205	KMUBPXUNIRIHCW-DOTOQJQBSA-N	247.426	4.631	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)c1cc(C)c(C)cc1C	1919969225	HRNMYMHQJLVTCD-SJCJKPOMSA-N	248.410	4.646	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@H](C)C(C)(C)C	1924102730	BTEFTWLJORUQQO-KCQAQPDRSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)CC1CC(C)C1	1925138595	CYRZXMFXNXOIGX-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)C[C@H]1C=CCCCC1	1925894137	YLQPFHLKQRKCGB-QLFBSQMISA-N	238.415	4.556	0	10	BJAE	
CCC(CC)C[C@H](NC)c1cc(C)c(C)cc1C	1926371861	KBHWAWZPYJLXMU-KRWDZBQOSA-N	247.426	4.699	0	10	BJAE	
C1=C[C@@H](CCCCOCc2ccccc2)CCC1	1932596883	XOKHOCAYMOFQLW-MRXNPFEDSA-N	244.378	4.730	0	10	BJAE	
CCCC(CCC)C(=O)c1csc(Cl)c1	1933557564	WXXWFTVDKXTEMT-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
CCc1cscc1C(=O)CCCC(C)(C)C	1938821496	GADOAOPNHCJNNB-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CC(C)(CC)C1	1939094292	LLKNQJUDMBRBSA-NFOMZHRRSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCCC1(C)CC1)NCC	1940863024	KFLJVPYKBUBYPZ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@@H](CCC[C@H]1CC1(C)C)NCC	1940876837	NKJDEKLXFAJCSK-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1ccc(C(C)C)cc1	1941244797	ZZWSZTWMKLCMOI-HOTGVXAUSA-N	234.383	4.526	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CCCC(C)(C)C)NC	1941262561	GTPQGTLMLFNXDH-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)CCCC1CCC1	1941463912	JXQZORWEAPXCQR-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(NCCCCCC2CC2)CC1	1941582458	WWCOAXVONATTNT-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1CC(C)(C(=O)C[C@@H](C)C2CCCCC2)C1	1941982621	VPIRAWBDHNNCKN-MFOWVQHXSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)C)C1(C)CC(C)(C)C1	1941985619	LVEYPIDUETUHCF-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCC1(C)CC(C)(C)C1	1942074005	SKWQXGBAGGIERT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CC(C)(C)CC2(CC2)C1	1943081636	AMRULMOMCDAISD-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)NC[C@@]12CCCC[C@@H]1CCC2	1944195389	QXTARTFRAJGPTM-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@@]1(CCC(C)C)CCCC1(C)C	1944481309	RPEBLGJVXRJSQQ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
Clc1cccc(NC2C[C@H]3CCCC[C@@H]3C2)c1	1946282442	FSCUZXMTAUQQFK-VXGBXAGGSA-N	249.785	4.721	0	10	BJAE	
CCCCCC[C@@]1(O)C[C@@H]2CCCCC[C@@H]2C1	1947842813	NCGWUFVMEBPEOG-ZSHCYNCHSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CCC(C)C)C1CC(C)(CC)C1	1948413154	NCPUVVYNYYJVFI-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@H](C)C1CCCCC1	1948926139	ZOSOQSZXULNPHB-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CC)[C@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1948932508	AEUZTDJGJDRXKW-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC(C)(C)C1)C(C)(C)C	1949825430	MFTHDVBEFLBPDD-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC[C@@H](N)CC1CCCCC1)C(C)(C)C	1949906912	IZKVKHFMUBCEOJ-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H]1CC[C@@H]1Nc1ccsc1Cl	1959203857	HUVYOOGZMZRNIM-ZJUUUORDSA-N	243.803	4.638	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccc(C3(C)CC3)cc2)C1	1967841952	HVEAJIJOLNHRQF-BBRMVZONSA-N	243.394	4.729	0	10	BJAE	
Cc1cc(C)c(NCC2CC3(CCC3)C2)c(C)c1	1968256155	JKUSRIRKOVOGPZ-UHFFFAOYSA-N	243.394	4.604	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC23CCC3)c(F)c1	1968327382	XXHXDZWGQHYIPO-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CCc1cccc(N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)c1	1968340290	VXAUNLUXTWPVJZ-ZOMKSWQUSA-N	245.410	4.732	0	10	BJAE	
Cc1cc(F)cc(NCC2C[C@@H](C)C[C@H](C)C2)c1	1968594646	GIFTUJZJUZFBSV-RYUDHWBXSA-N	249.373	4.618	0	10	BJAE	
FCCc1ccc(NCCC2CCCCC2)cc1	1970101626	APRNTBYVKVXWHE-UHFFFAOYSA-N	249.373	4.581	0	10	BJAE	
CC1C[C@H](C)N(C[C@@H](C)CC(C)(C)C)[C@@H](C)C1	1970138909	PFBASYAIUOTXGF-KKUMJFAQSA-N	239.447	4.568	0	10	BJAE	
CC=CC[C@@](CC)(CCCC)CNC(C)C	1978655302	XZCULOVXKZOFRH-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC[C@H]1C[C@@H]1C	1985900325	UFFFCJZOUFPLGL-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)[C@@H](NC)[C@@H]1CCC[C@@H](CC)CC1	1997113520	BKGFJBKDTKBLEV-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)([C@H]2CCCC(C)(C)C2)C1	2000062661	NTTJOPCZWYEAFE-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@H](CC2CCCCC2)NC)CCC1	2000334726	UXXVTNPHHDCSOJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CCCCCC1(F)F	2000761498	JBMIFZJJXJQMDN-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
CCCCC[C@@]1(O)CCCCC12CCCCC2	2001602923	LBTXAVMTXHPTKM-MRXNPFEDSA-N	238.415	4.822	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@]1(C)CCCCC1(F)F	2002583972	WFZJGQFMKJFTAK-WCQYABFASA-N	246.341	4.597	0	10	BJAE	
CCC/C=C/CN[C@@H](C)[C@H]1CCCC(C)(C)C1	2003016632	HHOFOYADWVKMQR-JSMHICHCSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(O)(C=C2CCCCC2)CC1	2007928501	ZECQDEDKWNYBAY-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](C=C1CCCC1)C[C@@H](C)CC(C)(C)C	2007939044	DDIOBBRGYMGGCW-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CCCCC12CCC2	2009569214	MMBYJTLQVVHZGZ-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC=CCCC[C@@H](CC1CCCCC1)NCC	2009593050	AEDFWXCESIQKEY-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(O)(CC(C)(C)C(C)C)C1	2009715019	AEQUQFMKYGRGGI-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCCCCC1CC(O)(CC2CC(CC)C2)C1	2009716212	PMXNRTVBVPKTDP-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@]1(C[C@H](C)CCC)CCC1(C)C	2014848548	GJAHKNDTFKICHS-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(C[C@@H]1CCCCCCC1=O)C(C)C	2015389420	VWFWTXXGWHIODK-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CCCC(C(C)C)C(C)C)C(C)C	2015407821	DVSAWNJSOQXXNY-INIZCTEOSA-N	241.463	4.719	0	10	BJAE	
CCC(CC)(CC)CNC1(CC2CC2)CCC1	2015738556	VVJRVHNZSUEBBE-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CC(C)(C)CC(F)F	2016144711	KYWPKSIJJUAGIF-AWEZNQCLSA-N	248.357	4.555	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(C)CCCCCN2)CCC1	2017139230	SIOYRCDOCKVFCB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H](CC)CC(F)F	2018135139	VYUOJUVGXWWAOV-JSGCOSHPSA-N	249.389	4.746	0	10	BJAE	
CCC1(C[C@H]2CCCCCCCC[C@@H]2O)CC1	2018969264	DBFLDJFPWZQJDL-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@](CC)(CNCC)C(C)C)CC1	2018977584	XHYHQGIZCLIJRY-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC1(C[C@H](N)C[C@H](CC)C(C)(C)C)CC1	2019005633	HMFHGIDVWBREAS-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)CN(C)[C@@H]1CC[C@H](C)[C@H](C)C1	2019121056	DOHDIRJSGGEKLG-RRFJBIMHSA-N	239.447	4.569	0	10	BJAE	
CC[C@@](O)(CCCCC(C)(F)F)C1CCCC1	2023307997	WEOXJXKUCJZZEF-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@@H]1CCC(C)(C)CC	2023612056	QHGYFLISSAAGEK-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)NC[C@@H](C)CC[C@H]1CCCC(C)(C)C1	2024092311	QAWXQAKZEVDZSF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@H]1CCCC(C)(C)C1	2024100460	CQEMVNAJGIQJTG-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC=C(CC)c1ccc([C@H](C)NCCC)cc1	2025224738	RDQRSVBMNODHRF-ZDUSSCGKSA-N	231.383	4.561	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1cccc(C)c1	2026165566	CLLWHGMTXXKNCX-XJKSGUPXSA-N	233.399	4.601	0	10	BJAE	
CC1(C)C(C)(C)C1(C)[C@@H](N)CCC1=CCCCC1	2027150069	GKCYFJPONIYPEM-AWEZNQCLSA-N	249.442	4.667	0	10	BJAE	
CC1(C[C@@H]2CCN[C@H]3CCCC[C@@H]32)CCCCC1	2027309548	QYKGBNHGZAEDPN-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CC2(C)CCCCC2)c1	2027311045	HDHRNGPHPZNVBJ-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C1=CCCCCC1	2027521581	ZKFFBJOEWLFDGA-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NCC)c1cccc(C)c1	2028253331	VWXBMEIAMMXOJT-IRXDYDNUSA-N	247.426	4.718	0	10	BJAE	
Cc1ccc([C@@H](N)[C@@H](CC(C)C)C(C)C)c(C)c1	2028263738	NBXPFNXYKROJKY-DLBZAZTESA-N	247.426	4.622	0	10	BJAE	
Cc1cccc(CCC(=O)[C@H](C)CCC(C)C)c1	2029835496	GWSUOFWXMKOGTL-OAHLLOKOSA-N	246.394	4.569	0	10	BJAE	
CCC[C@H](Nc1ccc(C2(C)CC2)cc1)C1CC1	2032245027	IJWJRLIYUZNYSP-INIZCTEOSA-N	243.394	4.729	0	10	BJAE	
CCCC1CCC(N)(CC2[C@H]3CCCC[C@H]23)CC1	2032815593	IOAOWOJVROGQMA-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CC1(CCN[C@@H]2C[C@H]3CCCC[C@H]32)CCCCC1	2033211870	DMTDKGGKVRYWJE-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@H]1CCC1(C)C	2033578267	UWIHWORRKFNHQV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CC[C@H]1C2)C1CCCCCC1	2035047058	OWOMFHKLLAKPLI-HDEZJCGLSA-N	249.442	4.514	0	10	BJAE	
Cc1coc(C)c1C(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2035538482	QTNLUUQGOLMAPO-YABSGUDNSA-N	248.366	4.542	0	10	BJAE	
C[C@@H](C[C@@]1(CN)CC12CCCC2)C1CCCCC1	2036106744	OUPDHDHPBUBVMF-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(N)CCCC[C@H]1C1CC1	2037179370	LHVMAPWSXQKXJR-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(N[C@@H]2CCC23CCC3)CCCC1	2037474555	HUIRYRLVODTKIN-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CCC(C)(C)CCC1(N)CC2(C[C@H]3CC[C@H]2C3)C1	2038957905	BFCIASRXZYVUSH-JCAIJIATSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](c1cccc(C)c1C)C1(CC)CCC1	2039720953	YMHCEBIHUISYKL-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCN[C@H](CCC(C)(C)C1CC1)C1(C)CC=CC1	2042026927	ISZGDHULNJPCOJ-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1([C@H]2CCCC[C@@H]2CC)CC=CC1	2042093316	FVJPEOHXRUMTKT-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CN(C[C@@H]1CCC=CCCC1)C1(C)CCCCC1	2045308122	RBXVPBWWWOAHDD-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CCCC(C)(C)C2)cc1	2045448431	AWCSGFGZHOULMH-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1ccc(CC(C)C)cc1	2045586656	FNLRJSUORMENSB-GOEBONIOSA-N	244.378	4.504	0	10	BJAE	
CCCC1([C@H](CC2CC3(CC3)C2)NCC)CCC1	2045795904	CJYXHARROUPNCH-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCN1CC(C)(C)c2ccccc21	2046565713	JNWNFLBRDGJXJP-UHFFFAOYSA-N	243.394	4.531	0	10	BJAE	
CC(C)C1CCC(N)(C[C@H]2CC23CCCC3)CC1	2047017579	WSAGVUAKBRBDCS-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@@H]1CC12CCCC2	2047058727	LJLILIHTWABKHL-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2CCC23CCC3)CC1	2047937399	XLJLYGILSWTFFZ-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](CC2[C@@H]3CCCCC[C@@H]23)C(=O)C1	2048470441	PWKSHZGWMAFPMA-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2048622188	UDEKCZFEQAPDMR-JJCQNKCGSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC([C@@](C)(N)C2CC3(CC3)C2)CC1	2049487212	RFLVZRXWHXCCGJ-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)[C@H]1CCCC(C)(C)C1	2049499879	YFPJNKZPBMYGIO-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(N[C@H]2CCC3(CCC3)C2)CCC1	2049675590	NDNWIQGNGBMCBD-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CC1(C[C@@H](N)C[C@@H]2CC3CCC2CC3)CCCC1	2049796633	YHPIIKOXQPVOEK-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@H]1CCCC2(CC2)C1	2049856936	PDJIRXDAYJNGTE-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc([C@H](N)CC[C@H]2CCC[C@H](C)C2)c1	2050460261	GVYRMRFMJPEPLE-YSVLISHTSA-N	245.410	4.601	0	10	BJAE	
CN[C@H](C[C@H](C)CCC(C)C)c1cccc(C)c1	2050465146	QWLYPNGAWKUICB-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CCN[C@@H]1C[C@H](CCC2=CCCCC2)CC[C@H]1C	2055587935	NSNFZDXTULURNO-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc(CCF)cc1	2055675161	VEYURKWUUABQSJ-GDBMZVCRSA-N	249.373	4.579	0	10	BJAE	
CC1(C)CCC(C)(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1	2056539758	PMBBDRLERNVCPN-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC(C[C@@H]2CCNc3ccccc32)C1	2056645474	MDRUVNJLFYBLOY-SLTAFYQDSA-N	243.394	4.658	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CCC[C@H]3C[C@@H]32)CCCCC1	2057360583	JOZUAXAZGQKMMW-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)C[C@H](C)C2CC2)cc1	2057364855	MXXUNWMIPPREMH-DCGLDWPTSA-N	245.410	4.636	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)c1ccccc1F	2059250659	SFXGUGAGZODJGJ-LLCTXKFZSA-N	249.373	4.613	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1ccc(C)c(C)c1	2059254255	YBBDIKCSEYWBJR-UABRLCRWSA-N	245.410	4.700	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CC[C@@H]2C[C@H]2C1	2059255454	HXJPBWJOSZFTEW-LCALRNMESA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2059396106	VIGLHVYYKQBVDE-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)C(C)(C)C1CCC1	2060923813	ACKQXOGXAGJZRM-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@@H]1C1=CC[C@H](C(C)(C)C)CC1	2061136660	BJKIUOFTHJLHFJ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
COC[C@@H]1CC[C@H](CCC2CC(=C3CCC3)C2)C1	2061720992	QJGZIEDLTUFPSV-DZGCQCFKSA-N	248.410	4.720	0	10	BJAE	
N[C@@H]1CCCCCC[C@H]1CC1CC(=C2CCC2)C1	2061738630	FHAMQGRLXHRGRE-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1c(C)c(C)cc(C)c1C	2061868876	KFHQHKTZOPAQTI-INIZCTEOSA-N	247.426	4.746	0	10	BJAE	
N[C@]1(CC2CCC=CCC2)CCCCCC12CC2	2062008390	DKGUZMOTDDLFRQ-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CC2CC3(C2)CC(C)(C)C3)C1	2063211965	VSVNVBTZLSKCGF-OCCSQVGLSA-N	248.410	4.598	0	10	BJAE	
CCCCCC1(CNC(C)C)CC2(C1)CC21CC1	2064010971	VOXAIYMWEGGPTH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NC1CC2(C1)CC2(C)C	2064118178	PHSHVNZNQVKITC-BOLLXYOYSA-N	249.442	4.514	0	10	BJAE	
CC=CCCCC(N)(C1CCCC1)C1CCCC1	2065934964	KGTQTWUPQHDHGE-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](C[C@H]2CC23CCCCC3)N1	2066376486	UWHHUIYFDOMLMM-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2CCC=CCCC2)CCCC1	2067501707	AERBYGNLQXLDKW-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
C[C@H](NC1CC2(C1)CC(C)(C)C2)C1(C)CCCC1	2067509455	RGZGYURPYZHKFX-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1C[C@@H]2CC[C@@H]2C1	2068814237	RKZRHCYROOSCTP-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(CC[C@@H](N)C1CC(=C2CC2)C1)C(C)C	2068947003	AMMXFTMQVWYIMX-QGZVFWFLSA-N	249.442	4.523	0	10	BJAE	
CCCC1(C[C@@H](N)c2ccc(CC)cc2)CCC1	2069268899	XKATXCOYGISDQP-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CCCC1(C[C@H](C)C(=O)c2ccccc2)CCC1	2069280692	NNBBHIBBYIWCBZ-AWEZNQCLSA-N	244.378	4.866	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CCC3CC2C3)CC1	2069355131	ZBJAOWMYSVDCON-HPDBWDTBSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCCC1CCC1)C1(CC2CC2)CCC1	2069521764	PIZFRIJAWWTGTQ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@@]2(C(C)C)C[C@H]12	2070412433	CBAUKWSPSDYKAT-HZMVEIRTSA-N	249.442	4.536	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2CC23CCCC3)CCC1	2071924949	YOENFYQSVWCKOP-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC1(C(C)(C)C)CCC1	2071941757	XFJVPWKDFZISHF-HNNXBMFYSA-N	245.410	4.601	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)c1cccc(C(C)(C)C)c1	2072422352	DDRGBXJDOYXKAS-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C2(CC3CC3)CC2)CC1	2072878872	NEJMMKPDRNMXPM-HDJSIYSDSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@H](N(C)C2CC3(CCCC3)C2)C1	2074891608	IDMISHLZOFYNAB-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1CCC[C@@H](CN(C)CCC2=CCCCC2)C1	2075145813	LQRRJBLBXQMYSF-DOTOQJQBSA-N	249.442	4.635	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1C[C@H]1C1CCCC1	2079623460	GWIGZWKXHZQELI-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
CCC1([C@H](N)C[C@H]2C[C@H]2C2CCCCCC2)CC1	2079628901	PJZMPWFRETWJIK-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
C1CCCC([C@@H]2C[C@@H]2CCCCNC2CC2)CC1	2079667436	WYXLDIGQHXHUGQ-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC1CC(=C2CCC2)C1	2081784480	DYPZSENSEKJDFG-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC1C[C@H]2CCC[C@@H]2C1	2081790700	YPTOKVFLIPDLIH-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
c1cc(CC2CC(=C3CCC3)C2)c2cccnc2c1	2125733010	JAQPICLWIHIHKA-UHFFFAOYSA-N	249.357	4.668	0	10	BJAE	
OCC1(CCCCCCCC2CC2)CCCC1	2213577638	DKUSZFWECZZPRC-UHFFFAOYSA-N	238.415	4.680	0	10	BJAE	
C/C=C/CCCn1c(C)cc2cc(Cl)ccc21	2214997921	DWWAZAPENSGTLE-ONEGZZNKSA-N	247.769	4.959	0	10	BJAE	
CCCC1CCC(O)(CC[C@@H]2C[C@@H]2CC)CC1	2215235461	CMRXMXVLVPJNHS-PWUWZPNHSA-N	238.415	4.534	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CC=CCC1	2216890140	FNZSMUXHVHIQAR-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@@H]1CC[C@@H](C)C1	2217125990	SCRDUIXGNFLOPH-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CNC1CCC1)CC(CC)CC	2217140394	QEFVRAOQPSPOMA-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NCC1(C[C@H](C)CC)CCCCC1	2217140395	QEKAGARXBMAONH-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@]1(CN[C@@H](C)CC)CCC1(C)C	2217140878	RRQJJIKUQSNHDS-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCN[C@H]1CCCC2(CCCC2)C1	2220922878	GAZUFRFIGKYVHH-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C2(C)CC3(CCC3)C2)C1	2221003388	MQHREAZGAVOHMV-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](NC)[C@@]1(C)CC=C(C)CC1	2221632394	QMFZHJFYUNLPFT-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCCCCCCC1CC1)c1ccco1	2223131190	VXLQTTPFESFZQE-OAHLLOKOSA-N	249.398	4.810	0	10	BJAE	
CCC[C@H](N)CCCC[C@H]1CCC[C@H](C)C1	2242814571	AAZPQKVTYZOVDH-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCC(=O)CCCC[C@H]1C[C@@H]1C	2243039674	MTVQXZDHRWJZSD-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cc(Cl)ccc1C	2244781882	FOJWBXPZQGQQAS-NSHDSACASA-N	238.758	4.657	0	10	BJAE	
CC[C@H](C(F)F)n1ccc2cc(Cl)ccc21	2246144878	IMPNMDMXTAMWPO-SNVBAGLBSA-N	243.684	4.511	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C[C@@H]1CCCCC12CC2	2246614773	ODYXAVALKLXFPT-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC)NCCCC[C@H]1C[C@H]1C	2247121904	JACIUVHMXOBVOB-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC)CCCCC[C@@H]1C[C@@H]1C	2247162720	CSORIMKMURWZHT-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CCC1(C)C)NCC	2247299374	CFKJVQSPGJBTPA-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CCCCC[C@@H]1C[C@H]1C	2248809343	RINGLTQKMCUWTI-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H]1CC=CCC1)NCC	2250352250	KLDUTNXEWSKEOY-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)C1=CC[C@@H](C)CC1	2250362559	VSBRZHZZAZIWHY-YCPHGPKFSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)CNC1CC2(CCCCC2)C1	2250389302	IETFNKFSOVPSOB-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CNCC[C@@H](C)CCCC(C)C	2250489600	ADVBIFQHIWXXJG-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
CCC[C@](F)(CN)CC[C@@H](C)CCCC(C)C	2250527703	JUKPAEKKVGIZNE-LSDHHAIUSA-N	245.426	4.696	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@]12CCCC[C@H]1CC2	2251149588	MHNPZKYDBGNGGH-XJKSGUPXSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@]12CCCC[C@@H]1CC2	2251177790	BDPHNOGXEDNTTK-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@](C)(O)CCC1CC(CC(C)(C)C)C1	2251584458	FSPPZFIZKGNRBL-XUJLQICISA-N	240.431	4.636	0	10	BJAE	
CC1(CCCC(=O)C[C@@H]2CCCCC23CC3)CC1	2253797582	HOFQUGVSEQRWEX-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@@H](CC1CC1)C[C@H]1CCCCC12CC2	2253815822	WIQWTXODOUIGEW-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](NCC[C@@H]2CCCCC23CC3)C1	2253894329	LBJWGQCQZUYUIT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC2CC3(CCCC3)C2)C1	2254085194	ZYCAAFOJFIATJV-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2ccn(CCCC[C@@H]3C[C@@H]3C)c2c1	2254539815	QRFROLGURDCPPG-GOEBONIOSA-N	241.378	4.776	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1CC(C2CCC2)C1	2254592389	NKLNOTFDYPRHDZ-YUCHNRCRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)CC[C@H]1CCCC12CC2	2255314214	YWJJRXOMICMIIH-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(NCCCCC[C@H]2C[C@H]2C)ccc1F	2257324039	NSGVIIURKAMDOO-OCCSQVGLSA-N	249.373	4.762	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)C[C@]12CCCC[C@H]1CC2	2260574743	OZWXLHPRUQRKIR-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@]12CCCC[C@@H]1CC2	2260677774	HKNFZVGUPGQGKO-VQHPVUNQSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@@H](N)c1cccc(C2CCCC2)c1	2260728154	YSVMWGXCPLJZDL-QGZVFWFLSA-N	245.410	4.924	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@H](N)[C@H]2CC=CCC2)C1	2261263777	JVVYUEILLIFVCK-SSHXOBKSSA-N	249.442	4.523	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H]1CC(C)(C)CCC1(C)C	2261396078	UXTLEJWUIWICPB-GJZGRUSLSA-N	249.442	4.680	0	10	BJAE	
Cc1ccccc1C=Cc1c[nH]c2ccccc12	2297564842	MDMOXTPSCNNJIE-UHFFFAOYSA-N	233.314	4.647	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)[C@@H]1CCCC(C)(C)C1	2298948260	KTRUZKRQBIVMHQ-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CC1(C(C)C)CCC1	2300501845	SFSQXSDFQKBKKM-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@@H](C)C1CCC1	2300689431	YCNYZCXFXJSCKD-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H](CC)C(C)C	2300879304	GBRCQWYCCOIEEQ-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCCC1CC([C@H](N)CC2CCCCCC2)C1	2301147413	JODZZUUVFCGWPS-UYSNPLJNSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C1(CN)CCCCCCC1	2301843494	JSJWIDGXHVDJCL-GJZGRUSLSA-N	239.447	4.604	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H]2CCC(C)(C)C2)C1	2302881354	XPXINGFGMIXKEN-MOKVOYLWSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@H](C[C@H]1CCC(C)(C)C1)NC	2302898460	GYVVKIMSGPYWJX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@H]1CC[C@H]1C(C)(C)C	2303471213	LCQFAUYBUFONBF-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](CN)CCC[C@H]1CCC(C)(C)C1	2304410999	JQEIIKAXYOBEPN-LSDHHAIUSA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(CC)CNC1CCC1	2307847527	XJRONZUXKRMEIR-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)C1CCC(C)CC1	2307902758	MHSGANLLQWPDHS-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCC[C@@H]1C1CC1	2307903231	NYAUMMKHWANZQR-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@]1(C)CC=CCC1	2307905557	ZWSMMUWLBXZWTC-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@@H](C(C)C)CCC1=O	2307906285	DBHPRFKHHOQCHS-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CC(C)(C)CC[C@H]1CN	2307909691	LEIJJKXXWIZMDM-KKUMJFAQSA-N	239.447	4.604	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@@H](N)C[C@H]1C=CCCCC1	2309889984	JTVHBDYWACRYST-NXOAAHMSSA-N	249.442	4.523	0	10	BJAE	
CCc1ccc(N(C)CC2CCCCCC2)cc1	2316882954	DXRGRIYQAXRGDH-UHFFFAOYSA-N	245.410	4.656	0	10	BJAE	
CCC[C@H](N[C@@H](C)[C@H](C)C(C)C)c1ccccc1	2317631278	WVWFXYUOJOLZSP-VYDXJSESSA-N	247.426	4.798	0	10	BJAE	
C[C@@H]1[C@@H](N[C@H]2CCC3(CCCCC3)C2)CC1(C)C	2318240823	LVCATYFARWALQA-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@H]1C[C@@H]2CC[C@@H]2C1	2318520487	YIDYJPUWWSNSRU-MUJYYYPQSA-N	246.394	4.662	0	10	BJAE	
CC1=CC[C@H](CNCCCC2=CCCCC2)CC1	2318567215	CXOZCMSUFOWMTA-KRWDZBQOSA-N	247.426	4.603	0	10	BJAE	
CC(C)(CC(=O)CC[C@H]1CC[C@@H]1C1CC1)C1CC1	2319693245	OFUBVDONFATCKQ-XJKSGUPXSA-N	248.410	4.598	0	10	BJAE	
CC(=C[C@H]1CC[C@H]1C(C)(C)C)c1ccc(N)cc1	2320310242	IEXDKTHNQCTTLM-GDBMZVCRSA-N	243.394	4.744	0	10	BJAE	
CC[C@@H](C1CCC1)N(C)C[C@H]1CCC(C)=C(C)C1	2320335174	ASXJESVZWZFRPI-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](CNC(C)(C)C2CCCC2)CC1	2320416561	LIIGITMTNOIWHR-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)C[C@H]3CCCC[C@@H]32)C1	2321646214	VJIRMBSOYGAWAJ-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC[C@@]3(C)C[C@@H]23)c1F	2327808174	RZGGHRBUCRWAOV-XEZPLFJOSA-N	247.357	4.550	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1c(C)cc(C)cc1C	35582129	PPMZWQCJOJXBLE-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CCCc1ccccc1NC1CCC(C)CC1	36974261	YFBLVFGEZVOMDK-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(Cl)c(F)c1	37069758	VVRBQMCXJKIGCQ-JTQLQIEISA-N	243.753	4.860	0	10	BJAE	
CCCC[C@H](CC)Nc1cccc2c1CCCC2	69370291	CAQZFCIRYAWWSP-HNNXBMFYSA-N	245.410	4.946	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1CCC[C@H](C)C1	80411555	HUMXLWVZOVGHHM-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CNC1C[C@@H](C)C[C@@H](C)C1	84462781	DBCICFULODLVHI-IUOOZAAYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)CNCCC(C)(C)C	87399075	JFSKMFPTKCXSAZ-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC1CCC(C(=O)C2CCC(C)(C)CC2)CC1	87941026	BNTDSCLDWLYIGX-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H](CC2CCCC2)c2ccccc2N1	92345003	HSBNATVONFFRLB-GXTWGEPZSA-N	229.367	4.555	0	10	BJAE	
CCCNC[C@H](C[C@@H](C)CC)c1ccccc1C	93106738	SZSRKUKAMXFRAA-HOCLYGCPSA-N	247.426	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@H](CNCC)c1cccc(C)c1	93125183	JLAKJACPMPTDTH-YOEHRIQHSA-N	247.426	4.514	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)c1ccccc1	109656325	KKLRQAYCKMNJOE-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(CC)CNC1CC1	110211001	IRXBOWIMCSQTBZ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)c(-c2cc(Cl)ccc2N)c(C)c1	132098369	VWWDQWLQBRIKBF-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
O=C1CCCCC[C@H]1c1ccc(C2CCC2)cc1	133426426	NQPOMLBJOSLMGE-INIZCTEOSA-N	242.362	4.571	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C[C@@H](C)CC	162455318	FGQOAUUBHWUYIZ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccc2sccc2c1	163859921	YESNBODTKPHXHK-RISCZKNCSA-N	245.391	4.892	0	10	BJAE	
CC[C@@H](C)CC(=O)Cc1ccc(C(C)(C)C)cc1	164904503	PJBHSOVAFXFEJX-CYBMUJFWSA-N	246.394	4.532	0	10	BJAE	
CCCC[C@H](NCCC)c1cccc(CCC)c1	165940079	QJKXZVCNVRNNRO-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CCN[C@H](C)CCC[C@@H](C)CCCC(C)C	196384063	YEGSINHJUAZIEC-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@H]1CC[C@H](CCC)C[C@@H]1CCC	219481568	RKYLLRKZFQKPMV-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCC[C@@H](C)[C@@H]1C	222322640	RCPYMEWUWPYWAG-QKPAOTATSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CC2CCCCCC2)C1	229468120	IRINJTVBHDCUBA-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCC12CCCCC2	230162587	HQUVNSOZVVQZLT-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
CCCCCc1ccc(NC2CC(C)C2)cc1	233053694	JRIQADDWCIGXCL-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CCc1ccc(NC[C@H]2CC(C)=C[C@@H](C)C2)cc1	234154978	WWUOZZRUHGDIOJ-CZUORRHYSA-N	243.394	4.653	0	10	BJAE	
C1CCC(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	251080771	GZBYAYYNVYJPTD-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@H]1CC[C@@H](C)C1	251261896	BYFNQAULKPPKGG-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)[C@H](C)CC	251361570	PJASZZHNAFEVBP-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](O)(CC)c2ccccc2)C1	251602487	KNPZAURHSGFICJ-PVAVHDDUSA-N	246.394	4.501	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	253042125	LXMPJDNNCUKQEJ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@@H](C)CC(C)C	305926783	IYTCAPMGZIMHSN-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)CCCC(C)(C)C)c1	305956724	VXCGFOROJDRDAN-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
Cc1cc(C)c(CC(=O)CCC(C)(C)C)c(C)c1	305963624	XHPRUGPQIGMAPQ-UHFFFAOYSA-N	246.394	4.550	0	10	BJAE	
Cc1cc2ccsc2c(C(F)F)c1Cl	307029660	OJVMIDPNQXDPLF-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCc1cc(CC)c2c(Cl)csc2c1	307276978	RATNVPBFAIVJBK-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1(CC)CCC1	308103345	HLSUYDQDWKHORP-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC1CCC(O)(C[C@@H]2CCC[C@@H](C)C2)CC1	310113159	GFFMISYRGXNUKG-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)CC1(C)CCCC1	310220579	FXXSJKQLNLIYCL-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Clc1ccc(NC(C2CCC2)C2CCC2)cc1	310491120	IHMPKLWAKAPKQF-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](O)C2(CC)CC2)cc1	310917893	JBYXKHJWIOKUFD-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CCCCCCC1(CNC)CCCCCC1	316752783	QWOSOCFZVGPEGA-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
C/C=C\CC1(CNCCC)CCCCCCC1	317901214	XOERUGLHLMSQNS-HYXAFXHYSA-N	237.431	4.683	0	10	BJAE	
O=C1CCCCC[C@@H]1CC/C=C/c1ccccc1	322933979	NYYXWXLBERSXOT-AYAUWGRQSA-N	242.362	4.629	0	10	BJAE	
CCN[C@@H](CC)CCC[C@H](C)C1CCCCC1	380036114	QMMMWSHWFXCTIA-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
O=Cc1cc(Cl)ccc1C1=CCCCCC1	380479100	QLEHXMFGBIYUGV-UHFFFAOYSA-N	234.726	4.500	0	10	BJAE	
CC(C)CCCCC[C@H](N)C(C)(C)C(C)(C)C	383405933	VCWJDSNJNRKFFG-AWEZNQCLSA-N	241.463	4.993	0	10	BJAE	
CCC[C@H](CNC(C)C)C[C@@H]1CCC[C@H](C)C1	383686353	PUZWJFQYPQXYJK-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@H](N)C[C@H]2CCC[C@@H](C)C2)CCCC1	383981082	ZYKJMLVEPADKDH-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](N[C@@H](C)CC(C)(C)C)c1ccc(C)cc1	384889928	LJCHIEASKBZYHR-GOEBONIOSA-N	247.426	4.860	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@H]1CCCC1(C)C	389001432	QRVUNKBFCODTKC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)(CC)CC1CCC(C)(C)CC1	393799000	NJKZYJFNKVQPDP-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](C[C@H](C)c1ccccc1)C(C)(C)C	395024825	OIJDGCGJMZUKJE-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
C[C@H](CC(=O)C(C)(C)C(C)(C)C)c1ccccc1	395136166	HJMOZFLQEPQENH-CYBMUJFWSA-N	246.394	4.822	0	10	BJAE	
CC[C@H](N[C@@H](C)c1cc(C)oc1C)C1CCCC1	395647358	WBOOSTTZCCBWNR-LRDDRELGSA-N	249.398	4.516	0	10	BJAE	
CCc1cc2c(CC)c(SC)ccc2s1	396170362	NUWMOWPKBABNBK-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cc2scc(CC)c2cc1CC	396203336	HEHRATXEJSFHBG-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CCc1cccc2sc(C(F)F)c(CC)c12	396221380	JVOBLIIMOGZOTJ-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
Cc1sc2cccc(C(F)(F)F)c2c1S	396298367	IHEWGDAZZCWBMJ-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCNC[C@]1(CC2=CCCC2)CCCC[C@H]1C	401086383	RSPJXBIQECPZKH-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
C1=C(CCc2csc3ccccc23)CCC1	401131209	WUJLLMKDLLCSLQ-UHFFFAOYSA-N	228.360	4.944	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1C[C@H]2C=C[C@H]1CC2	402239052	ZPJXMALYAVRYET-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1CC[C@@H]2C[C@H]2C1	403847646	ROXIGYDSTUPMDT-RBSFLKMASA-N	243.394	4.658	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC(C)(C)C1CC1	405702095	BGNIZIZQOGIRHF-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@@H](C)C(C)(C)C	405752497	SGCQFNRPNXCFQU-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](Nc1cccc2ccccc12)C(C)(C)C	687794254	WWZGXKFMHLDVTR-LBPRGKRZSA-N	227.351	4.686	0	10	BJAE	
CC[C@H](CC(=O)C(C)(C)C(C)(C)C)CC(F)F	688836835	WEIROMGNYCUNCH-SNVBAGLBSA-N	248.357	4.699	0	10	BJAE	
CCCC[C@@H](CC(C)(C)C(F)(F)CC)NCC	691043127	WWXYMYXVFLSIEG-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@H](C)c1ccco1	691098077	HXHJYFQREUYQJA-QLFBSQMISA-N	249.398	4.535	0	10	BJAE	
CC1(CCN[C@@H]2CCCC[C@H]2C2CC2)CCCC1	696110947	OSIKCMDLUQPEMW-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCc1ccsc1[C@@H](N)CCC(C)(C)CC	696648533	ZCOSLZMJKWOSBM-LBPRGKRZSA-N	239.428	4.527	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1cccc(C2CC2)c1	696683106	KLWZWYDKKBCDKS-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCC=C(C)C)NCC	697758186	GPWACFPSPWRAIL-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CCCc1ccc([C@H](N)[C@H](C)CC(C)(C)C)cc1	704736506	PCKFIMZOMYQFIZ-CZUORRHYSA-N	247.426	4.711	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Oc1cccc2ccccc12	704921976	IYVGXCYQSABDNT-BBRMVZONSA-N	240.346	4.797	0	10	BJAE	
CCCc1ccccc1O[C@@H]1CCCC[C@@H]1C	704931540	FTKJLHUZPASIPA-DZGCQCFKSA-N	232.367	4.597	0	10	BJAE	
C[C@H]1CCC[C@H](CC(N)(C2CCC2)C2CCC2)C1	705332095	AZFFWZLNZVNNPL-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)c1coc2ccccc12	708315785	JFVZYQYLTLMWSY-NHYWBVRUSA-N	245.366	4.505	0	10	BJAE	
Cc1cc(N[C@H](C)[C@]23CCCC[C@@H]2C3)ccc1F	709121925	BIPPWNCVKKSRIA-XJKCOSOUSA-N	247.357	4.515	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)[C@]12CCCC[C@H]1C2	709131419	OLYBKEWYVAAAPU-DVOMOZLQSA-N	247.357	4.515	0	10	BJAE	
CC[C@H](C[C@@H](NC)c1ccc(C)cc1)C(C)(C)C	711055710	VBFLOPSIQWXCIV-HZPDHXFCSA-N	247.426	4.718	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)[C@@H](C)C(C)(C)C	711120239	KUQGKRXOBRHWGC-MGPQQGTHSA-N	241.463	4.719	0	10	BJAE	
CC(C)NCC1(C2CC3(CCC3)C2)CCCCC1	717603126	UXRSOLRTEXKKAB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](CCCC)O[C@@H]1CCCCO1	888084902	LVTOCUCQTUTNHU-LSDHHAIUSA-N	242.403	4.669	0	10	BJAE	
Cc1ccc(S[C@@H](C)c2ccccc2)s1	1166352828	HMMRMRODZKTSJT-NSHDSACASA-N	234.389	4.910	0	10	BJAE	
CCCCC1(NC[C@@H](C)C2CCCCC2)CC1	1473870412	JWZJEBSWXAJXQL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)SC1CCC(C)(C)CC1	1641062562	CGDDMBUAABPWPE-LLVKDONJSA-N	214.418	4.877	0	10	BJAE	
CCC(CC)CCC[C@H](N)CC1CCCC1	1900699943	GCTQMTZPWFGDQN-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2cscc2C)CC1	1902848885	RTCUMKPMNCPSEL-ZDUSSCGKSA-N	235.396	4.605	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cscc1CC	1905301455	LHJGXBWUGAIJKE-NSHDSACASA-N	238.396	4.710	0	10	BJAE	
CCC[C@]1(CCC[C@@H]2C[C@H]2C)CCCCCN1	1908552939	VAVSBZWDUCLUFJ-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@](C)(O)CC1CCCCC1	1910695808	IMGHRRXHKVIPEN-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C[C@H]1CCCCCCCC[C@@H]1N	1913430507	LYPHTSQODCOJJW-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CC1(CCN[C@@H]2CCC3(CCCC3)C2)CCCC1	1916430240	JTTDQNXHSOZELR-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@@H]2CCC3(CCCC3)C2)C1	1916430861	OCHOMWZMAPDWJY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1CCCC[C@@H]1CC	1919969004	FXFXPGZEFBSJJV-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
Cc1cccc(NC2C[C@H]3CCC[C@H](C2)C3)c1C	1923466027	RQMDWTMQFAMJJC-GJZGRUSLSA-N	243.394	4.684	0	10	BJAE	
CCC(CC)CCN[C@@H](CC)c1ccccc1	1926155294	RMZAGLLFASCXIX-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](O)CC2(C)CCCCC2)C1	1940409576	YHCULKUHMVINPH-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(CC2CCC(C)(N)CC2)CC1	1940837958	ADWZYYBEVNXGKV-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)(CC(=O)CCC[C@H]1CC1(C)C)C1CC1	1940876703	MPPUKMVHVLJQKS-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@H](O)CCC[C@@H]1CC1(C)C)C(C)(C)C	1940880973	COLJDPUPCBNAAY-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)CN[C@@H](C)C(C(C)C)C(C)C	1941355276	KYXGJWPFMVGAGK-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CCCC[C@H]1C(C)C	1941357264	GQVTWJPJSBYAJA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(CO)CCC=CCCC1	1942655597	JMDFNYKCSQBPDR-JKSUJKDBSA-N	238.415	4.558	0	10	BJAE	
CC(C)(C)CC[C@H](N)[C@@]12CCCC[C@@H]1CCC2	1944156464	PXGNURPGWJEFDW-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC1C[C@H](C)C[C@@H](C)C1	1944201953	GLWFBALOIWHEOW-MCIONIFRSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)C(C)(C)C1CCCCC1	1944667144	ZMPRSCKMXLAGAB-KCQAQPDRSA-N	239.447	4.602	0	10	BJAE	
CCc1ccccc1N[C@H](C)[C@@H](C)CC(C)C	1948323418	NMNVGZQKKORMRT-UONOGXRCSA-N	233.399	4.732	0	10	BJAE	
CCCCCC[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948595017	DBWYUYZNKGMJPB-ARFHVFGLSA-N	237.431	4.645	0	10	BJAE	
Cc1cc([C@@H](N)C2=CCCCCCC2)c(C)s1	1948951393	CLXIUCFNLKCCFM-HNNXBMFYSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CCC(C)(C)C1CC1	1949032120	IYUSFBONKSIWJD-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc2c(ccn2[C@H]2CCC(C)(C)C2)c1	1949492244	BBVXACHRSOJGGG-AWEZNQCLSA-N	227.351	4.701	0	10	BJAE	
CCCC[C@@](CC)(CNC)[C@@H]1CCC(C)(C)C1	1949518898	NATSABNIBOIVMQ-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CO)CCC[C@@H](C)CC1	1950909909	BCEORFNEYRUIAP-GDBMZVCRSA-N	240.431	4.782	0	10	BJAE	
CC1(C)CCC[C@](CN)(CCC2CCC2)CC1	1950913265	FYFCOTNINWKQBL-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC(C)=CCC(=O)c1cc(Cl)c(Cl)s1	1956822240	SBRFBCYSUWVITG-UHFFFAOYSA-N	249.162	4.594	0	10	BJAE	
CC(C)c1ccc(N[C@H](C)C2(C)CCC2)cc1	1968295864	XJRGPTOTXJGQQK-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC[C@@H]1CCCCC12CCC2	1971304578	IKRVUFXWGIROIJ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](O)CCCCCC(C)C	1976009862	DLHBAIGLMLFAKQ-CQSZACIVSA-N	228.420	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2nc(C3CC3)cs2)CC1	1976351552	YADWCABKUMCAOT-ZYHUDNBSSA-N	235.396	4.704	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)CCC=C(C)C	1988794711	LQXZUFRWUWAWCD-ZIAGYGMSSA-N	225.420	4.536	0	10	BJAE	
CCCC1CCC(CC(=O)CC(C)C)CC1	1989839650	RGLPTQFCCQCDRP-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](CCC)C1CC1	1990089655	LLDYGXIUAMBUIL-LSDHHAIUSA-N	225.420	4.514	0	10	BJAE	
CCCC1(CN(C)C[C@H](C)CC(C)(C)C)CC1	1995799319	PTNPKGCJBZPPSJ-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@]2(C)CCCC2(C)C)C1	1997340318	FVEBUKGVJSPWSY-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCCCc1ccc(N[C@H]2CC[C@H]2CC)cc1	1998753720	XPEOOCKYTGVLKB-ZBFHGGJFSA-N	231.383	4.630	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@H]1CCC=CCCC1	1999983829	QIZAGKBFEDVFKX-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CN[C@H](CCCC(C)C)C[C@@H]1CCC[C@@H](C)C1	2000251401	CEKIYISCPAJPRG-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)c1sc(C)cc1C	2000334525	FQSDALMOBQRJPY-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)[C@@H]2C[C@H]2C)CC1	2003067000	LRSBWLMQOISDIR-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@H](CC1(C)CCCC1)NCC	2003177504	XSSCEOGUAGJYIY-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H]3CC[C@H]32)c(Cl)c1	2004797577	PGMZTCNOSAOTEN-OUCADQQQSA-N	249.785	4.639	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@H]1CCC[C@@H]1C	2006760471	WQJRXDGBUKSREG-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C1(C)CCC(C)(C)CC1	2007693655	GOVQYVWUYQTREC-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)C(=O)CC1CC(C(C)C)C1	2007772493	IDEHCVPKRBOWAV-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CN[C@@H]1CC[C@H](C)CC[C@@H]1CCCC(C)(C)C	2009409203	ZMHMWCMNRFAPIM-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@]1(CNCC)CCC[C@@H](C)C1	2009617826	WRDRRTUAWNPNTR-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CC=C(C2(N)CCCCCCC2)CC1	2010728090	CABLZQIURKNILX-CQSZACIVSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@@H](CCC)CC1=CCC(C)(C)CC1	2010770525	ZEACLLHCQBYUOV-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@](CC)(CNCC(C)C)C(C)C	2012408402	FEFMPGMZWIDNHS-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CC(C)C(CC[C@@H]1CCCC(=O)[C@H]1C)C(C)C	2015391430	ZYZTXXQPJRCNHU-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H](C)C[C@H]1c2ccccc2NC[C@@H]1C	2015396648	FRFXIPYYUUJSDF-VNHYZAJKSA-N	231.383	4.514	0	10	BJAE	
CCC1(C[C@]2(O)CCCC[C@H]2C(C)C)CCC1	2015596467	RJEGKEJFJSYXIK-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@]1(C)C[C@@H]1C)NCC	2016385633	GLVDUXXMPZTUDH-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C(C)=C(C)C)C1(C)CCC(C)(C)CC1	2017476975	CTPJYPISSFRBPQ-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)C[C@H]1CC[C@H](C)CC1	2017713739	BTHRRMYJKRFKOJ-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CCC[C@@H](C)CC2)CC1	2018971195	WUYWNPUTHSRJOQ-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@@H](CC)C(C)C	2018989837	INYYKURLPCDFEC-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCN(C)C[C@@H]1CCC[C@H](C)C1	2019162763	FEQLFLHDOLVHCC-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CC1(O)CCCCCCCC1	2022451261	MQJDXHWCFUXWMC-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@](C)(O)CC1CCCCC1	2022453717	IMGHRRXHKVIPEN-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H]1CCCCCCC[C@H]1O	2022528828	LMOHFMQGVFIHEW-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CCCCC(C)(F)F)NCC	2023298062	WFVPBUDKMFMGSV-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C)[C@H]1CCC(C)(C)CC	2024512030	ALXOOIYDXFADDQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(CN2CC=C(C(C)(C)C)CC2)CCCCC1	2027274293	CGKFZRYPWRFJQZ-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CN[C@@H](CCCC1CC1)c1ccccc1C(C)C	2027518630	UCBFWARFCNWCOA-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc2c(ccn2CCC[C@H]2CC2(C)C)c1	2027834289	UCJOBDIMUYFQRO-HNNXBMFYSA-N	241.378	4.776	0	10	BJAE	
Cc1cccc(C)c1C(=O)CCC[C@@H]1CC1(C)C	2027842179	GJOBYXKXBVZTBA-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccccc1C1(C)CC1	2028569669	RPLJNTVKZLKCQC-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
C[C@@H](C(=O)CCCCCC1CC1)c1ccccc1	2028629775	CMEUEOBAZAAGIV-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
CC[C@@H]1CNCCC1=C1CCC(C(C)(C)C)CC1	2032560299	FOTCAKNCYIMZOM-AFYYWNPRSA-N	249.442	4.539	0	10	BJAE	
CC1(C[C@@H](N)C2C[C@H]3CC[C@H](C2)C3)CCCCC1	2033097498	OPPBRYKIIMXYNF-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNC2(C)CCCCCC2)C1	2033411046	ZSKCAOFYXWNFSR-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC23CCC(CC2)C3(C)C)C1	2033413004	PHKQXXNZMNKVEC-UJEKJILKSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)NC[C@@]1([C@@H]2CCC2(C)C)CC=CCC1	2033573663	WJWJNLSQVVWKFT-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@H](O)c2cccc(C3CC3)c2)CCC1	2036378077	XCXKIGYCYLZISK-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H]3CCCC[C@]3(C)C2)cc1	2036666442	QMIPLCBNQTXWOK-DJIMGWMZSA-N	243.394	4.766	0	10	BJAE	
CCC1(CC2(N)CC(C3CCCCC3)C2)CCC1	2037104771	CHYFRKJQSVJZAT-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
N[C@H](C1CCCCCC1)[C@@H]1CCC2(CCCC2)C1	2037592254	MBEGUEFLTHHCFW-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H]([C@@H]2CCC3(CCCC3)C2)C[C@@H]1N	2037867065	VMYXLGXXZPDDBQ-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CC2CC3(CCC3)C2)C1	2037974049	GYOJGAAMLXFNJG-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1C[C@H]2C[C@H]2C1)C1CCCCC1	2038328392	SXXVSVZMHWMYBT-LUYZLQTOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](NC1C[C@@H]2CCC[C@H]2C1)C1CCCC1	2038548242	GJHATSWGCSEVIF-ZOBUZTSGSA-N	249.442	4.514	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CCCC[C@]12CCNC2	2038649721	OFAXRLRCPKILFG-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@@H]1CC12CCCCC2	2038999444	KONKIUBLQGUILN-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CCC(CN[C@H]2C=CCCCC2)CC1	2039033388	VWUSMUGRYXCZNZ-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H](C)C1(C)CCCCC1	2039861922	JLIIRTCMVPXMQD-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CCCC(C)(C)[C@H](N)Cc1ccccc1C(C)C	2040719277	LOHIVNCYNMONSR-MRXNPFEDSA-N	247.426	4.506	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](NC)C2=CCCCC2)CC1	2041379844	NWCRHFCUKZVVFS-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC[C@@H]1CCC[C@@H](C)C1	2043190601	KDVADRGESVBWIR-HLLBOEOZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H]1C1(N)CCC2(CCCCC2)CC1	2045658045	PEXFAJJZMRJNPG-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNC1CC2(CCCCCC2)C1	2046230652	VQILEIDIVPFCFM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)C[C@@H]1CC12CCCCC2	2047016250	NRIUIFFJPXZVJH-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
N[C@H](C1CCCCCCC1)C1[C@@H]2CCCCC[C@@H]12	2049200329	HLOXOSXPMUMOTD-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H]1CCCC(C)(C)C1	2049497224	ANTIRTWAAITMNL-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C1CCCCC(N[C@H]2C[C@@H]2C2CCCC2)CCC1	2049672261	KNPFYHXMBCOISY-SJORKVTESA-N	249.442	4.658	0	10	BJAE	
CCCc1ccc(C(=O)CC2(C)CCCC2)cc1	2049789068	RWCCJOBEWQNKBH-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
O=C(CC1=CCCCC1)CC1CCC2(CC1)CC2	2049948711	SCUJAPFPMDSMSY-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@@H]2CCCC3(CC3)C2)C1	2049953019	BIUBLTGVFLYDDG-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@@]1(C)C=CCC1	2050004982	CAKNFOJGTJVQSR-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
Cc1ccc([C@@H](O)CCCC2=CCCCC2)cc1	2050429532	KDJRFKBJEFTJKC-KRWDZBQOSA-N	244.378	4.699	0	10	BJAE	
CC(C)=C(C)CCN(C)C1CCC2(CCC2)CC1	2051645851	OMWGLDHDBZXNNL-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC1(CN[C@@H]2CC[C@@H]3C[C@H]3C2)CCCCCCC1	2052500496	JKMOMDQHNAKMAF-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)C[C@@H]2[C@H]3CCC[C@H]32)CCCCCCC1	2052502950	OXGIGAJKVYWLTQ-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](C1=CCCCCC1)[C@H]1CCCCC12CCC2	2053412698	QFEBYVVOKSYHFC-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CC1CCC(C[C@H](N)[C@H]2CCCCC23CC3)CC1	2053415568	JVZJOSPDLCWDKZ-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@@H](NCCCC2CCCCC2)CCC1	2055549820	OVJUEFHEMPLHQX-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](N)C1(C)CCC2(CC2)CC1	2056557818	YEUKCQHOOYNECP-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC(=O)C2CC3(C2)CC(C)(C)C3)C1	2056669255	HGEQDAXOJFNTLL-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C(=O)C2CC(C3CCC3)C2)CC1	2056678096	UZXBUQJDQKXRBP-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)C2CC(C3CC3)C2)CCCCCCC1	2057819271	YLUCHNAJJGESAC-GPANFISMSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@]3(C(C)C)C[C@@H]23)c1C	2058561662	FZSKRMCGYNNGGY-USXIJHARSA-N	243.394	4.540	0	10	BJAE	
CC(C)[C@]12CC[C@@](N)(CCCCCC3CC3)[C@H]1C2	2058569884	NFCDOVPCQIOBMY-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@H]1CCCCC12CCC2	2059220996	HPPBHNNXLNQPOV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@]1(CNC(C)(C)C)CC=CCC1	2059250060	NAPHLWFNXMTZDZ-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
C/C=C/CCC[C@H](NC)c1ccccc1C1CC1	2059260143	VYNPEBLLSDYECS-IDOMTICXSA-N	243.394	4.571	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2CC(=C3CC3)C2)CC1	2061666478	ZYRSBRPSHGSMKT-GUYCJALGSA-N	247.426	4.565	0	10	BJAE	
CCC(CC)(CC)c1nc2c([nH]1)[C@@H](C)CC[C@@H]2C	2061879580	VBHOUXLQJUHUJN-RYUDHWBXSA-N	248.414	4.878	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1N[C@@H]1CCCCCC12CC2	2062016370	GKTIXXBMXAWYGX-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNC1CCC2(CCCC2)CC1	2062602796	KYJOKDYKFAORJF-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(CC)c(NCCC[C@@H]2C[C@H]2C)c1	2062645617	GUMFCRIZHWEURZ-CZUORRHYSA-N	245.410	4.660	0	10	BJAE	
CCc1ccccc1NCC12CCC(CC1)CC2	2065299772	FTKCGSFCKWFVOB-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2C[C@H]3CC[C@@H]3C2)CC1	2068698851	NBBCRXFDUROAIW-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCC1	2068770782	FGJXYNOSSKKVKY-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H]1CC[C@H]1C1CCC1)C1(C)CCCCC1	2071795437	SZWMBGIPMJEPFH-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@H]2CCC23CCC3)CC1	2072792549	BDHBRYGKUJZQNA-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C1CCCCN(C[C@]23CCCC[C@H]2C3)CCCC1	2074052587	WYAYDYWKKBSGES-DLBZAZTESA-N	249.442	4.613	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)c1c(C)coc1C	2074645894	GZHWFRIJBQLOMU-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
CCCN(C[C@@]12CCC[C@@H]1C2)C1CCCCCC1	2076545440	KUDZDUDAYGTUBF-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1C[C@@H]1C1CCC1	2079330775	ABIQWKVUUBJUHW-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
C[C@H]([C@H]1CC[C@@H](N)CC1)[C@@H]1CCC2(CCCC2)C1	2082132364	DIXMDABLHVETIZ-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@](N)(C2CCC2)C2CC2)C1	2082974519	ADLPYPGFHDRYFL-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
Cc1coc(C)c1[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2082991227	ONOWGRHUUZIGEH-KBPBESRZSA-N	249.398	4.503	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)C[C@@H]1CC12CC2	2086354820	OJBBQYZNXDHMFH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](O)CCCCC2CC2)CCCCCC1	2214571532	WOODPHWXSDQMLS-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@H](CC[C@@H]1C[C@@H]1CC)NCCC	2215258560	VJIJYVKRTXTERG-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)C(C)(C)CCC	2216286148	RRDPTYYMEVXZDO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C1CC1)[C@@H](N)CCCCCCCC1CC1	2216859586	JCNAJLXDJWBRRZ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCc1cc(Cl)ccc1NC[C@H]1CC12CCC2	2217241073	MVLPZOUFQXAHOK-GFCCVEGCSA-N	249.785	4.505	0	10	BJAE	
CCCN[C@@H](C)c1ccccc1CCC(C)(C)C	2218535722	WJYYQBGNJLHPAD-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C1[C@H]2CCCC[C@H]12	2218724040	FHONAKCDGBOBHX-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CN(CCCCCCC1CC1)[C@@H]1CCC12CCC2	2218732121	NZPBAKHCWYIURB-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](NCCCCCCC1CC1)C1CC2(CC2)C1	2218733060	SUCNIMWIKYPYMW-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@@H]1CCC=CCCC1)C1CCCCC1	2220296368	KBBHSQDRYGDXMS-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC=C(C)CC2)CC1	2221664610	WQNBKAHTIKVRAO-IXDOHACOSA-N	249.442	4.824	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@H]1CCC[C@@H]1C(C)C	2221937656	XEYBPVFLEKPNCG-CABCVRRESA-N	244.378	4.558	0	10	BJAE	
CCCN[C@H](c1ccccc1C)C(C)(C)CCC	2222303578	VKXXESOHMRWVNY-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CCCCCC2)C=CCC1	2223594683	MNZGBCMPIAIHLS-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC2CCCC2)CC=CCC1	2223595938	OYNOSIOTHZCLIN-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1ccc2occc2c1	2224139033	HJGQBFWYBGBKER-LRDDRELGSA-N	246.350	4.539	0	10	BJAE	
C[C@@H](c1ccccc1)[C@@H](O)C[C@H](C)CC(C)(C)C	2224170629	PLFLORUSLSXSGO-DZKIICNBSA-N	248.410	4.613	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@H]1CCCCC12CC2	2246615029	QINJYAKOAHOCPS-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(OCCCC[C@H]2C[C@@H]2C)c1C	2247169071	BOVVOHQEZFPMKB-ZFWWWQNUSA-N	232.367	4.509	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2CCC2(C)C)C1	2247429957	ASTVAFHUCIGWSK-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)[C@@H](CC)CCC	2250362432	UUMKDDYEYKHWHF-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC)CC[C@@]12CCCC[C@@H]1CC2	2251194228	IIVHGJZKDBXZIF-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](c1ccc2ccsc2c1)[C@@H](C)CC	2253061732	XPEYIKVGJDOOCC-NHYWBVRUSA-N	247.407	4.598	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@@H]1CCCCC12CC2	2253810996	LJDVMUIHVAWESH-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](N)CC[C@@H]1CCCCC12CC2	2253854878	MNLZAOJCVXCSRV-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1	2253932939	WBOYAOWPOSZDPY-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(NC2CC3(CC(F)C3)C2)c1	2254538824	NXMNCOIKDLZCPT-UHFFFAOYSA-N	247.357	4.503	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C[C@H]2CCCC23CC3)CC1	2255324849	BBRUNSCAKRJILG-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H]2CC[C@@H](C)C2)cc1	2256254589	UAZGOSFDPYMRTP-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@]12CCC[C@@H]1C2	2257307039	KJSHBQCEOOGENS-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCC1=CCCCC1)[C@@]12CCCC[C@H]1CC2	2260508798	RKRZWKNRNROFEU-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2260648802	TYFRMDMDSUDMAL-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@]12CCCC[C@H]1CC2)C1CCC(N)CC1	2260659571	XGPSMYBQAUQOOK-NCSWOWMGSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC(N)(C[C@]23CCCC[C@@H]2CC3)C1	2260679911	UOSGFCVVXYTBLF-FDVNEVKMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H](O)C1CCCCCCC1	2298917804	WYUUVVIWQOYHJO-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC1CC2(CCC2)C1	2300495873	CPSIPDIOFANGMI-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC1(C(C)C)CCC1	2300500202	DODVIHRKIHCAOW-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CCCC1CC(CCC(CC)CC)(CNC)C1	2300697937	UTCHFJCHCPNUCH-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CC1CCCCCC1	2301140392	OQCJYYMOOBVWPD-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H](C)[C@@H](C)C(C)C	2301845734	ZUXYPFQFBQHLKA-HRCADAONSA-N	239.447	4.639	0	10	BJAE	
CCc1cc(C(=O)CCC2=CCCCC2)cs1	2301923480	KAVNPFWZXDWOEF-UHFFFAOYSA-N	248.391	4.774	0	10	BJAE	
CC1(C)CC[C@@H](c2nc([C@@H]3CC3(C)C)cs2)C1	2302263358	UPPSKILKHJOKNO-MNOVXSKESA-N	249.423	4.950	0	10	BJAE	
O=C(CCCC1=CCCCC1)CCC(F)(F)F	2302354812	WJBYGAZAFBVVSX-UHFFFAOYSA-N	248.288	4.569	0	10	BJAE	
CC(F)(F)CCCC[C@H](O)CCCCC1CC1	2302572331	TVVHOCGBUCHSAJ-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)C[C@H]1CCC(C)(C)C1	2302675674	NODQTOQBKZLFCD-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1CCC(C)(C)C1	2302716402	NNGIGUIEYJICOI-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CC[C@H](C[C@](C)(O)C2CCCCC2)C1	2302893148	SIGIBANGHIHFCF-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H]1CCC(C)(C)C1	2302900345	DBBIJLAALCBGGF-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC(C)=C(C)C1)c1cccs1	2303459313	QBYMNJAOBYLLQV-ZIAGYGMSSA-N	249.423	4.678	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@](C)(O)CC2CCC2)C1	2304351362	HBQGHJOSMKDMCR-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C2(C)CC=CC2)C1	2304433332	AWMPYDOQAOIGLA-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CN[C@@H](CCC(C)C)CC[C@@H]1CCC(C)(C)C1	2304434630	DXTUWPQYJHCWEF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CN(C)CC1(C)CC(C)(C)C1	2307760851	MCIBOXYQGPHCNN-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1CCCC(C)(C)C1	2307817691	RMGYLTLGBYKSAE-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@@H]2CCC[C@H]2C)cc1	2308076087	KPPJCNSMNCVRIG-COXVUDFISA-N	246.394	4.670	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(C[C@@]23CCC[C@@H]2C3)CC1	2310894377	FQZWJKLCADDGKT-YVSFHVDLSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2311525670	AWXTTWJDOWNZCH-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@]1(C[C@H]2C[C@@H]3CC[C@H]2C3)CCCCCN1	2312888055	VFXBTEPSARISHO-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1C[C@@H]2C[C@H]1C[C@@H]2N	2313232813	OPWDQKOKOUIEHL-LLLHUVSDSA-N	249.442	4.523	0	10	BJAE	
CCc1cc([C@H](CC(CC)CC)NC)ccc1C	2314713261	UFFSPMPDQSPOGE-KRWDZBQOSA-N	247.426	4.644	0	10	BJAE	
CCC(C)=CC[C@]1(CNCC(C)C)CC=CCC1	2316490325	KEHWRTXNQOBEJG-KRWDZBQOSA-N	249.442	4.705	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H]1C[C@H]2CCC[C@H]1CC2	2316782898	MYARQTIGYQWDKH-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316881495	QKYAHQAPUOWOTD-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@H](NC)c1ccc(F)cc1C1CC1	2317104640	ZCSHVIURANMCDG-INIZCTEOSA-N	249.373	4.544	0	10	BJAE	
CCCc1ccc([C@H](N)[C@H](C)[C@@H](C)C(C)C)cc1	2317821573	WIVYEPPORIQOQB-JJRVBVJISA-N	247.426	4.567	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](CCC1=CCCCC1)NC	2317903896	JHUWQGACEVUCRQ-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCC2(CC2)C1	2317929251	LUSXGDZDBAUVME-CYBMUJFWSA-N	247.357	4.694	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N1CC=CCC12CCCCC2	2318010497	FZBXDIWRDKLSSY-HZPDHXFCSA-N	249.442	4.632	0	10	BJAE	
C[C@@H]1[C@@H]([C@@]2(N)CCCCC23CCCC3)CC1(C)C	2318269541	GIAVMMZLHGAGIZ-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)[C@@]12CCC[C@@H]1CC2	2318566613	ZHQPTRTZWKDWGH-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
C1=C(CCCc2ccc3[nH]ccc3c2)CCCC1	2318573607	UJIFTTLBPWIVLD-UHFFFAOYSA-N	239.362	4.991	0	10	BJAE	
CC1(C)CCC[C@H]1[C@H](N)CCCC1=CCCCC1	2318588600	HUMCJLXKMRAPHG-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)C1(C2CCC2)CC1	2318592933	OAIAAMWREYEZGZ-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@@H]1CCC2(CC2)C1	2320218346	WPQBMWSILXYRGZ-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H]2CC(C)(C)CCC2=O)CC1	2320347112	HXTFOLRJRNNPDD-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@@H](C)C2CCCC2)CC1	2320395526	ADEKCQIAEBIZGY-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)c2cc(C)c(C)o2)CC1	2320423756	OGBZIYRDMCHMDQ-CQSZACIVSA-N	246.350	4.606	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](NC)c1ccccc1C	2328292055	KKFJRSFMYWHLRW-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cccc(C)c1C	21515483	AAVMABISOKRKEF-IUODEOHRSA-N	233.399	4.930	0	10	BJAE	
C[C@@H](N[C@H]1CCCC[C@@H]1C(C)(C)C)c1ccco1	35136976	UBPLTZURMZMLER-RDBSUJKOSA-N	249.398	4.535	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)c1cc(C)sc1C	50401031	NDXSBBVGWFASPW-YPMHNXCESA-N	239.428	4.594	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccccc1Cl	70558346	YHJYMISFPONPFF-DGCLKSJQSA-N	237.774	4.721	0	10	BJAE	
CCCN[C@H](CC)CCCC1CCCCC1	70746787	MUCPJUYNQKNFKL-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cc(C)ccc2F)C1	71107671	WZTGACPYMUNIRC-QWHCGFSZSA-N	235.346	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2CCNc3ccccc32)C1	71158322	UPSXFSRPURHJFG-KFWWJZLASA-N	243.394	4.802	0	10	BJAE	
Cc1cc(NCc2cccs2)ccc1C(C)C	83374541	KHDGPQYRBDGKPS-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CC[C@@H](Nc1c(Cl)cccc1Cl)C1CC1	83847759	UWYPERVVAOMZLW-LLVKDONJSA-N	244.165	4.594	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCC[C@H](C)CC1	86879108	GMWRKRPOFDNVHB-SMDDNHRTSA-N	235.346	4.515	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H]1CC[C@H](C)C1	87991669	OVKZOTDZJYZBPK-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H](O)C1CCCCCCCCCCC1	92601423	FTMPTDQMLZWPGG-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC(C)C[C@@H](CNC(C)C)CC1CCCCC1	104003389	NSYVAIOCOMKDIZ-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)C[C@H](C)CC	104010779	FTCZNXOTLWHRDJ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)c1ccccc1C	109697080	DNMNDJDKKOSGMA-NVXWUHKLSA-N	248.410	4.809	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O	109996730	BKZMEICOPWJNTE-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@@H](C)C(C)(C)C)c1	111646292	HXENEZLHBMSRPX-CYBMUJFWSA-N	232.367	4.558	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@H](O)c1ccccc1	128952079	HNNNJOGOZGWFST-VYDXJSESSA-N	248.410	4.963	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1cccc(CCC)c1	159813668	PVULPGVSTSBSRE-DOTOQJQBSA-N	248.410	4.889	0	10	BJAE	
Cc1cccc([C@H](C)N[C@H]2CCC[C@@H](C)CC2)c1	160188702	SAOPVHSNMUCCQI-KMFMINBZSA-N	245.410	4.614	0	10	BJAE	
CC(C)NC/C(=C\C(C)(C)C)C1CCCCC1	211500896	QGQVKFZGTJXQFA-RVDMUPIBSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCC[C@@H](C)CC2)C1	226497358	MHZJRLLZCQFHPX-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](C[C@@H](C)CCC)C1	227176930	ZQWGECMKNQKXMU-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](NCCC)c1cccc(CC)c1	228856359	REUCEQZRPCBLJK-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)c1ccc(C)c(C)c1	229330348	IBIYPSGRMSRCSY-OIISXLGYSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@@](CC)(CNCC)C[Si](C)(C)C	230926759	IXZJPRCDRXCRKD-AWEZNQCLSA-N	243.511	4.521	0	10	BJAE	
CCCC[C@H](CC)CC1([C@H](C)NCCC)CC1	232997924	OQCWINPKMGHEMI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C1=CCCCCCC1	300280943	AQIQJLUTLKHMJD-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(Cl)cc1NCCCC(C)(C)C	300880101	RMSJXQVYDXCADZ-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CCN[C@H]1CCCC[C@@H](CCCC(C)(C)C)C1	302289173	KVBVBUNIUYWMPP-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cccc(CC(C)C)c1	302334814	ILAFPLKPQALNMA-PBHICJAKSA-N	248.410	4.745	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1ccc(C(C)C)cc1	304488929	MCNFUWHTMKMIIR-ZDUSSCGKSA-N	232.367	4.675	0	10	BJAE	
C[C@@H]1CC[C@H]([C@](C)(O)CCC(C)(C)C)C[C@H]1C	306058005	RQIQWSDAHAXPFX-HGTKMLMNSA-N	240.431	4.636	0	10	BJAE	
CCOc1c(Cl)cc2ccsc2c1Cl	307213767	QXTOYMQAIWGXNS-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CSc1ccc2c(S)c(Cl)sc2c1	307448613	LCOSAXGDKJDOJY-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CC1(C)CCC1)NC	308059855	TYYXBQBQFVCZAF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1sccc1Cl	308106849	KHOXXWNNAKGVPR-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CNCC(C)(C)C1=CCCC1	308771753	WFCCZOIMYZTZHR-CABCVRRESA-N	249.442	4.539	0	10	BJAE	
CCc1cc(NCc2csc(C)c2)ccc1C	310286543	MKZGAILTVCBQSG-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H]1CC2CCC1CC2	310765479	BQEINKOPHUAIIY-UYSNPLJNSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc2ccccc2c1F	310842874	KZIAWJROSXPMSH-LLVKDONJSA-N	244.309	4.598	0	10	BJAE	
CCC[C@@](O)(CC1(C)CCCC1)C1CCCC1	313477521	VXVHVUCLYNDJJJ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](CNC1CC1)C1=CCCCC1	320057561	VRFCGNSZSULFQB-VBQJREDUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CCC[C@@H]3C[C@H]23)cc1	378902556	XRWRMUFDMCZFCB-KCXAZCMYSA-N	243.394	4.585	0	10	BJAE	
CN[C@@H](CCC(C)C)C[C@@H](C)C1CCCCC1	380080678	DUCMNQUZCKGRGD-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@H](C)C1CCCCC1	381294938	YMYKXAIGYOHMDG-CQSZACIVSA-N	244.378	4.784	0	10	BJAE	
CC(C)c1nc([C@H]2CC3CCC2CC3)cs1	382183871	QTDNVXVVEAAIHJ-MCIGGMRASA-N	235.396	4.560	0	10	BJAE	
CC(C)CCCCC[C@H](C)[C@@H](C)NC(C)C	383173008	SNVWCIKAWUAXLJ-LSDHHAIUSA-N	227.436	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CCCCCC(C)C	383511782	JGTSFIIQRXRLSE-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](CNC(C)(C)C)C[C@@H]1CCC[C@H](C)C1	383895536	MQCRSDHLXFEGPY-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](N[C@@H]1CCC1(C)C)c1ccccc1	393969511	YGRAHMUIGFRLCQ-JKSUJKDBSA-N	245.410	4.696	0	10	BJAE	
CCOc1c(CC)cc2ccsc2c1Cl	396200096	RURBTDGMDOYUJJ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](C[C@@H]2CC=CCC2)C1	402259904	GIMLTIUOMFEGKW-QLFBSQMISA-N	248.410	4.764	0	10	BJAE	
CCSc1cccc(N[C@H](C)[C@@H](C)CC)c1	689701905	YNNCLGODFAWHLG-NWDGAFQWSA-N	237.412	4.645	0	10	BJAE	
CCCCCC[C@@]1(O)CCCCC[C@@H]1C(C)C	691127982	NPPYGDUGVUMKBO-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCC[C@H]2C[C@@H]21	691669200	PDTOHRYDTBZOJU-ZNMIVQPWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CC2CCC1CC2	691759218	OJPVCTLXMGJHHK-WCMAUXFHSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@@H]1CCCCC1(C)C	696577532	YKXNWHYIULJPJI-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CC[C@](CCC=C(C)C)(CNC2CC2)C1	698056248	PNCSONJJGLZICF-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(C[C@H]2CC=CCC2)C1	701972880	JILMQOVZYNTZNM-AWEZNQCLSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@@H](C)CC(C)(C)C	708299704	GBNTZRFYCMKKIN-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](NC(C)C)c1cscc1Cl	710467452	XBNMNKFPXUURCA-LBPRGKRZSA-N	245.819	4.631	0	10	BJAE	
CC[C@@H](C[C@H](CC1(C)CCC1)NC)C(C)(C)C	711093993	LGWKMSBZXNVNJG-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@H](O)c1csc(C)c1)C(C)(C)C	711174601	CLCYQFXPSIAZLZ-STQMWFEESA-N	240.412	4.552	0	10	BJAE	
CCCCC1CCC([C@H](N)CC(C)(C)C)CC1	713138797	GMANIJYTYWTVNK-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@H]2CCCC[C@@H]21	714304524	PTAZUNMRBQCEQB-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1c1nc2cccc(Cl)c2[nH]1	714409356	GQTOATRTGLQKJN-ZJUUUORDSA-N	248.757	4.510	0	10	BJAE	
N[C@H](CC[C@H]1C[C@H]1C1CC1)C1CCCCCCC1	714898251	CPKXGDYDODCXCD-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H](C)C1CCC1	718564458	HZXDYWGDRDICJO-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H](C)C(C)C	718601267	LWCLZAOXVGKEBY-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
Cc1cc(CCC2=CCCC2)ccc1Cl	757162031	ZRHLWWOZARVMRB-UHFFFAOYSA-N	220.743	4.691	0	10	BJAE	
c1ccc(CCCSC2CCCCC2)cc1	1458832312	FZMSBDXSQVTENJ-UHFFFAOYSA-N	234.408	4.685	0	10	BJAE	
CCN(CCC1=CCCCC1)c1cccc(C)c1	1615919740	HKVBCHPIPIAQMW-UHFFFAOYSA-N	243.394	4.712	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2CCC3(CCC3)CC2)CC1	1621256139	CXHUFGJLFBTUDN-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
C1=C[C@@H](N2CCC3(CCCCC3)C2)CCCCC1	1652571734	RUDYNDPFMUMWIB-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
C[C@H](CN1[C@H]2CC[C@H]1c1ccccc12)C(C)(C)C	1654333304	JTUNUEGBUMDDBM-KCXAZCMYSA-N	243.394	4.560	0	10	BJAE	
CC(C)CC[C@H](NCc1ccccc1)C(C)(C)C	1656508204	BZIGYOACNPAPFF-INIZCTEOSA-N	247.426	4.627	0	10	BJAE	
CCCCCCc1cc(C)cc(Cl)c1	1889494216	SBVIXGUETBVKLT-UHFFFAOYSA-N	210.748	4.771	0	10	BJAE	
CCN[C@H](CCCCC(CC)CC)C(C)C	1900693371	NGPCLTSYBZTYCZ-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CC(=CCCc1nccs1)CCCC(C)C	1900902700	HFBYFFRADUSHAK-UHFFFAOYSA-N	237.412	4.848	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CCCC(C)(C)C1=O	1905346433	LSYUBZLVSZVYFE-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC(=CC1CCC(C(C)C)CC1)CNC1CC1	1911793720	SNONKDDCPKXOAQ-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NCCC=CC[C@H]1CC2CCC1CC2	1912001359	HYKGAUUXAISFDX-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C(=O)C2CC3(CCCCC3)C2)cs1	1912629915	YBJYCAYLPGWMLN-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(CNC2CC2)C=CCC1	1916342416	NQBWJHNDYGHWRU-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1C1(O)CCCCCCCCCCC1	1919621055	QFQHOKIYOXFRNO-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC12CCC2)[C@@H]1CC1(C)C	1921488675	HFSPSMNWWAZESH-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCNC[C@@H]2CCCC23CCC3)CC1	1921606120	UIQRXYIEXJBMOF-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@H]1C=CCCCC1	1925779377	YKRLNFWIBRFCTN-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@H](C)C1CCCCC1	1926385093	GDQPXODDGHOBCT-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cc(Cl)sc1C	1933585635	GFGLFIBEJNBBQK-PELKAZGASA-N	246.803	4.570	0	10	BJAE	
CC(C)CCC[C@@H](N)c1ccccc1C(C)C	1940617032	UDAUGSFVPQNWRK-MRXNPFEDSA-N	233.399	4.636	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C1CCCCCC1	1940789949	HXHGMJLISLVBCG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C(=O)CCC1CCCCC1)C(C)C	1941263905	GPGLHQBXYOHEGZ-OAHLLOKOSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](CC(C)C)C(C)C	1941266288	CVRQCVGCEOUKMH-JKSUJKDBSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1(C)CC(C)(C)C1	1941980344	PQLRTUBLFBMEGH-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C[C@H](C)C1CC1)NC	1944517788	NXLLCLOKCRFBBE-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(NCCC1(C)CCCCC1)C(C)C	1945432207	LIDRLMOCTOJDHX-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCCc2ccsc21	1946344725	DPUVIDWDEPSNAX-CQSZACIVSA-N	243.375	4.546	0	10	BJAE	
CCC[C@@H](C)CN[C@@H]1CCCC2(CCCC2)C1	1946454325	FQCXFVYBIVMYKI-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCC[C@@H](F)C1	1946965024	SLBHSIIMAVXBLV-BFHYXJOUSA-N	242.378	4.690	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CC[C@H]2CC[C@H]1C2	1947119020	WEQOQFHBOWCESE-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)N[C@@H]1CCCCCCCC1(F)F	1947372182	RCZMYHNPIXZDIR-CHWSQXEVSA-N	247.373	4.513	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccccc1CC	1947463660	PJDBHEKXWZCHIA-HOCLYGCPSA-N	231.383	4.630	0	10	BJAE	
CCCN[C@@H](CC[C@H]1C=CCCC1)C(C)(C)C	1947594112	VLMTVWKYEQZVIS-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(=O)CCC(F)(F)CC)C(C)(C)C	1947989978	DUIKVBJDCIETND-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C1CC(C)(CC)C1	1948413155	NCPUVVYNYYJVFI-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)CCCC1(C)CC1	1949052177	BBNKRXXCQNOHEE-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC[C@H](C)C1)C(C)(C)C	1949534556	FAIQEBFKRZORDY-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@H]1CCCC(C)(C)CC1	1950915289	YXJVIWYITRWJIO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H]1CCCC(C)(C)CC1	1950916323	APBDEEKZDORYCP-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCC[C@@H](C)CC1	1950924675	NAMMBMXEZCPXTH-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
C[C@H](CCC1CC1)NC1C[C@H]2CCCCC[C@@H]2C1	1967738739	MGPMCVUJLMXYRB-FVQBIDKESA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@@H]1CC[C@@H](F)C1	1968320813	RKIBOFUMAWGBAZ-CHWSQXEVSA-N	249.373	4.534	0	10	BJAE	
Cc1ccc(NCC2CCC3(CC2)CC3)c(F)c1	1968326223	DPCVDULXIDVMJT-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CCc1cccc(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)c1	1968339890	PWEJKAHMMIGWKV-SCAQPMJSSA-N	243.394	4.630	0	10	BJAE	
CN(CC1CCCCC1)[C@@H]1CCC2(CCCC2)C1	1968507953	BOJQRIHKPPRBCE-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](Nc1cc(C(C)C)ccc1C)C1CC1	1968603369	ZZKFTQMLUOUWAB-HNNXBMFYSA-N	231.383	4.719	0	10	BJAE	
Cc1cc(N[C@H]2CCC3CC2C3)cc(C)c1Cl	1970798729	HRWKISWTPNJFNM-YIZWMMSDSA-N	249.785	4.557	0	10	BJAE	
CCCCC[C@](C)(O)[C@H]1CCCC(C)(C)C1	1978329929	RMIVNXZEVOOXQM-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC1(O)CCCCCCCC1	1980350116	DDIGMFFGEVSCNX-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CC(C)=CCCC[C@@H](O)c1ccccc1Cl	1980682746	WRMVCQWUNXVWJW-CQSZACIVSA-N	238.758	4.510	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](CCC)CCC1=O	1984575414	MNPHJVUOTFSIGC-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CC(C)C1CC(CC2CC(=C3CCC3)C2)C1	1985530516	IORLVJQUISOTRT-UHFFFAOYSA-N	218.384	4.949	0	10	BJAE	
CC[C@](O)(CCCC1(C)CC1)CCC(C)C	1986942598	CSZNSDRDVDSTPA-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)[C@@H]1CCC1(C)C	1987994347	JSMWGHJNVHRTGX-QWRGUYRKSA-N	237.774	4.577	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@@H](C)CCC(C)C	1996585366	HGZHPMWCKNDXTM-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CN(CCC(C)(C)C)C1CC(C)(C)C(C)(C)C1	1997775503	FMIQVUGPRLATEI-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCCN(CC1CC(C(C)(C)C)C1)C(C)(C)C	1998250980	AWJHBYCWIFONAR-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1CCC=CCCC1	1999981535	PCWZLOSLNYSHJX-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CC(C)NCC(C)(C)C[C@@H]1CCC=CCCC1	1999991832	CPHQFAZJUFFTRJ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@H](O)[C@H]1CCCC(C)(C)C1)C(C)(C)C	2000025589	WGRCTOUUFRIUKS-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@@H]2CCCC(C)(C)C2)C1	2000101816	LEJIEEFWYSMBIB-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CNCC)CC1(C)CCC1	2000504574	JDSUUGZYTGJVHZ-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1CC12CCCCC2	2001211654	SYBBFIRYSHZBKM-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC1(C[C@H](O)CCC[C@H]2CC2(C)C)CCCC1	2003179036	KCIUTKUKVQRONX-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@H](C)CC(C)C)cc1	2003652829	JLZIOAZQOLUSKN-CQSZACIVSA-N	232.367	4.640	0	10	BJAE	
CC1(C(=O)CCC2CCC2)CCCCCCC1	2004942806	XEACXBPHRNOMJJ-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@H](C(C)(CC)CC)C1	2006628973	DIYKYTCFWYUFAX-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@H](N[C@H](c2cccs2)C(C)C)CCC1	2006908480	WXMYHEDTKHYRAD-HIFRSBDPSA-N	249.423	4.534	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2CC(CC)C2)C1	2007769369	NWJMUZCXOWVIMO-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@]1(C=C2CCCCC2)CCCCCN1	2007933584	BIDZWANUPOHIDC-INIZCTEOSA-N	235.415	4.579	0	10	BJAE	
CCC[C@@H]1NCCC12CCCCCCCCC2	2009062782	LXSIRCKULOVAKP-HNNXBMFYSA-N	237.431	4.659	0	10	BJAE	
CCC1(C)CC(NCCCCCCC(C)C)C1	2009298575	JGISEICQQPIJFJ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC1(C)CC(N(C)C[C@@H](C)CC(C)(C)C)C1	2009317418	RWANKMFBBDFMQR-HLIUYOAVSA-N	239.447	4.569	0	10	BJAE	
CCCCC1CC(N)(C[C@H]2CCC[C@@H](C)C2)C1	2009788784	DYMJFAOZQLCZPA-QVOMUQBLSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H](C)CC(C)C)C1	2009792047	UFUTYDJMXMQFQP-FHERZECASA-N	239.447	4.747	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC1CC(=C2CCC2)C1	2011074176	NJBUPPCDSDGNFP-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1C[C@H]2CCC[C@@H]2C1	2012002084	JRSQOXTXSCWDNV-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CC1CCCCC1	2013310152	WUPPCFNUEBVCFL-MRXNPFEDSA-N	239.447	4.713	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC1(C)C)C1(C)CCCC1	2014341269	XUXAQHMYZFVVFJ-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)[C@@H](C)C(C)(C)C	2015277431	GXIUVUPYDOJTOF-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC[C@@H](O)[C@H](C)C(C)(C)C)C(C)C	2015337438	ZBTAAJVHCQADSZ-DZGCQCFKSA-N	242.447	4.738	0	10	BJAE	
CCCC1([C@H](C[C@H](C)C(C)C)NCC)CCC1	2015403204	YAJVNJFZOLHKSG-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CNCC)CC(C(C)C)C(C)C	2015411112	FJIMJZMLERTGRS-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@H]1C1CCC1	2017030676	ASIGDVINSICWTJ-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC1(C(C)(C)C)CCC1	2017140693	JXSAVMTZHFJPLC-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CC1(C(C)C)CCC1	2017147142	ZQVWJPUTTIVGLT-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CCc1ccc(CC)c(NCC(C)=C(C)C)c1	2017418170	AJTPJIVVFDSMIJ-UHFFFAOYSA-N	231.383	4.580	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)C2(C)CCCC2)CC1	2017649031	RLTDDOMEKLJGOT-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@H]2CC[C@H](C)CC2)CC1	2017719293	AQGINBUZNXWLSR-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)C[C@H](C)CC(C)(C)C)CC1	2018954197	DBGJRAWUPRWISG-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1(CC)CC1)NCCC	2018999903	NPMZNLGTVBCYFO-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@@H](CC=C2CCC2)C1	2023204504	KULYODFZPOFIEE-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC(C)(C)C[C@H]1NC	2023610180	GYVLLEYZCUSUHU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2024093953	GJUZBBYEAUMOJB-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CCCC(C)(C)C2)C(=O)C1	2024100673	FBYUVTDOISOGNU-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)CCC2(C)CC2)C1	2024100849	GEYJXTUGQUAULP-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](CC[C@@H](N)C2CCCC2)C1	2024101596	LYEHZCQAQLFTTO-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(Cl)cc2cc(C3CC4(CC4)C3)[nH]c12	2024286487	LCFMFKNWWQZEGX-UHFFFAOYSA-N	245.753	4.787	0	10	BJAE	
CC1(CC(N)(C2CCC2)C2CCC2)CCCCC1	2027308880	KDYSLTUUWUZDSD-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc2ccn(CC3CCC=CCC3)c2c1	2028870507	RRUYHEYAZRDPSN-UHFFFAOYSA-N	239.362	4.696	0	10	BJAE	
CCN[C@H](c1ccccc1CC(C)C)[C@H](C)CC	2028914979	LHGZLTMTOJNDNP-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CC[C@H](C)[C@H](NC)c1ccc(C2CCCC2)cc1	2031750217	PTUWGQHBTMALLJ-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1ccccc1C1(C)CC1	2032243489	VYAXVVFLZFIKQF-ZDUSSCGKSA-N	243.394	4.729	0	10	BJAE	
C1CCC(CN2CCC3(CCCCCC3)C2)CC1	2032396203	ZRCDNUHIFVWMRO-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CC(C)(CCNC1(C2CCCC2)CCC1)C1CC1	2033050146	GYCQLICTKNRWEM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1[C@]1(N)CCCC[C@H]1C1CCCCC1	2033629515	BLPDJGBTPQVQFM-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C1=CCCC1)C1CCC(C(C)C)CC1	2033809859	CAZFSJZHNQZMJR-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](C[C@@H]2C=CCCC2)C1	2035599544	NDLYEECWEOIACZ-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@@H](N)C[C@@H]2CCC[C@H](C)C2)c1C	2037048816	SVQVBLKQANICBN-MJEQTWJJSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@@H]1CC12CCCCC2	2039057343	DXOCUXASWRZBBD-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@H]1CCC12CCC2)C1CCC(C)(C)CC1	2040634607	ACRPYBFIDBOEQE-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)CCC2CCC2)cc1	2042742857	NYKFXLBBECVQIH-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CC(C)(C)C1CC(C[C@]2(N)CCC23CCCC3)C1	2042997790	JBOCJIYXYDXRKN-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@@H]1CCC=CCCC1)C[C@@H]1CCCCN1	2045318955	ZRQYSSHLZZFOQY-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CN[C@@H](C[C@H]1CC12CCCCC2)C1(C)CCCC1	2047010002	GHPOZLCDJIKFAA-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CNC2CC2)(CC2(C)CC2)CC1	2048881820	GCCMOTBIYWKMJC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CNCC[C@@H]2CC=CCC2)CC1	2049349747	HLHIHQABVBEVFY-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](C[C@@H]1CCCC2(CC2)C1)C1CCCCC1	2049852615	CHIBCDSZEIFHJV-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC1CC(C)(C)C1)c1ccco1	2050523341	RXHAWFBBYIZLOP-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CN(CC1(C)CCC1)C1CCC2(CCCC2)CC1	2051645309	KNYHFWJPXUDQHQ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCNC[C@@]1(CCCC2(C)CC2)CCCC12CC2	2053357799	OOYLPRYOCZDOPJ-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
C1CCC(CCNC[C@@H]2CCCCC23CC3)CC1	2053434398	RHCGLRXXZFNPJF-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)C1CC=CC1	2053666799	JJVIXQCYBANCMM-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@H](N)C2(C)CCC(C)CC2)c(C)c1	2056562200	IOCSWZBOUIFGFN-PTXATLKXSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@H](c1ccoc1)C1(C)CCC(C)CC1	2056563524	ZJPAPNGVXLVTIZ-OGVSOVDVSA-N	249.398	4.537	0	10	BJAE	
CCC1CC(CC2(CNC3CC3)CCCCC2)C1	2056651476	RPROBZRWPSLVBQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@]1(CC2CC3(C2)CC(C)(C)C3)CCCN1	2058480498	NLZCKLKLNQXZEG-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@@]2(CNC(C)(C)C)CC=CCC2)CC1	2059174148	VKJIZZMRBZZORR-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC=CCCCN(C)[C@@H]1CCC2(CCCCC2)C1	2059205148	DSBYLQSRIZTTMD-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCCC1CC(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1	2059397837	NYZURCXRRIHBDX-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(N)(C[C@@H]2CCC=CCCC2)C1	2059494650	BCLVVPWBNIVFNN-KLAILNCOSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CC=C([C@H](N)[C@@]2(C)CC[C@@H](C)C2(C)C)CC1	2060923738	ZTGPGWSAHGCRKU-LNCBFAARSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@H](N)CCC2CCC2)CC1	2061080505	HZXFXHMWXNRCGV-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](C1CCC1)[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2061115518	ICNALICDDSJEOO-RCBQFDQVSA-N	249.442	4.523	0	10	BJAE	
C1CCCC(CNCC[C@]23CCC[C@H]2C3)CCC1	2061591009	HLFUGBHOTBZZTQ-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1N[C@@H]1CCCCCC12CC2	2062016643	ISIWNBGKZWWDQG-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C)c1NCC1C[C@H]2CCC[C@@H]2C1	2063472277	RXIOVFASJODUEW-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cccc(C(C)C)n2)C1	2066346727	KDZCQMYKLDWDCE-KGLIPLIRSA-N	246.398	4.586	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CCC2)[C@@H]1CCC1(C)C	2068347503	BXNLSFPYKVPJHN-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC(=O)c2ccc([C@@H]3C[C@H]3C)o2)CCC1	2069284223	XGBDBMXBRXTCOL-VXGBXAGGSA-N	246.350	4.556	0	10	BJAE	
CC(C)(C)NCC1(C[C@]23CCC[C@H]2C3)CCCC1	2070964059	SWFOLUJDFDBWCA-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)CCC=CCCC2)CCC1	2071941325	SCOXCKHGHLHEBW-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CC1(C(C)C)CCC1)[C@]1(C)C=CCCC1	2071947044	WUXCYMLRNHRQHN-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(CC2(CN)CCC=CCC2)CC1	2072798668	LTTIFNVDCSUPEQ-UHFFFAOYSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CC[C@](C)(NC[C@@H]2CCCC3(CC3)C2)C1	2073063202	CUPIGFOKFOSRRK-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2CCNC3(CCCC3)C2)C1	2074137975	GAQXDAQAGVBSOZ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C1CCCCN([C@H]2CCC23CCCCC3)CCC1	2075013788	XMWOQPXVVKLENI-INIZCTEOSA-N	249.442	4.756	0	10	BJAE	
CC=C(CC)[C@H](NCC)c1ccccc1C1CC1	2077197889	VZZYQTKFQDTDLZ-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@H]1C[C@H]1C1CCCC1	2079491249	HYNDQIPYBNLSRX-VNQPRFMTSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2C[C@H]2C2CCCCC2)C1	2079668819	CPWXRYZSXVDPLM-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C=C1CCC1)[C@@]1(C)CC[C@H](C)C1(C)C	2080245797	YSGCVQKXJWUHCO-YSVLISHTSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H](Nc2cccc(C3CC3)c2)C1(C)C	2084364091	UHUDFTKIEIPBQZ-OAHLLOKOSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1ccc(C)c(C)c1	2086053774	NIXBHXBDDDFOPK-DYVFJYSZSA-N	247.426	4.910	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1C[C@H](CC(C)(C)C)C1	2213119451	PWECYONQBBAIMY-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CC[C@@]1(C)NCCCCCCC1CC1	2213577512	CMAROFHHILHPFJ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](CCCCC1CC1)NC	2214572300	CBROVIXGZSBUIK-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H]1CC[C@@H]1C	2215102534	TXMGZHDVWWRQIQ-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@H]1CC)CC(C)(C)CC	2215266089	NXJVTMQADSTZKW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@@H]1CCCCCCCCC1=O	2215344963	GPWVIOUPFRIHTK-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC1(C)CC2(CCC2)C1	2215395719	ZVMHYRHFNFKWKJ-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@]1(C)CC=C(C)CC1	2215793100	GFYOPDGLCMPGOG-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCC[C@@H](C(C)(C)C)C1	2216247286	KXHJZAONOGOXDE-QNQFUXMYSA-N	237.431	4.667	0	10	BJAE	
c1cc(NC2CC(CC3CC3)C2)cc(C2CC2)c1	2218476709	ADUJLWWGKSBUOO-UHFFFAOYSA-N	241.378	4.555	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCC1(C2CC2)CC=CC1	2219251817	YWZBZUHOYAXQRP-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1(C)CC2(CCC2)C1)C1CCCCC1	2221013249	HZACHIWZUNMPNC-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)[C@@H]2CCCCC23CC3)C1	2221015042	FTYNOVBOVFJJHT-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@]1(C)CC=C(C)CC1	2221634185	XWHVTVBEOOAPPS-YYIAUSFCSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1c(C)cccc1C	2222002028	OIXDMSXAENAZHG-CJNGLKHVSA-N	247.426	4.910	0	10	BJAE	
C[C@@H]1CCC[C@@](CNC2CCC2)(C2CCC2)CC1	2223607631	YODZMOZDSJWRIX-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H]1CC(=O)c1ccc(C2CCC2)cc1	2223683587	KHRHFFDLYKMMSU-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1ccc2occc2c1	2224162110	HXMONELNRMNFOV-LBPRGKRZSA-N	244.334	4.688	0	10	BJAE	
C/C=C/CCCc1sc(C)c(C)c1C	2241332506	UTZPUSYMTQYMBU-AATRIKPKSA-N	208.370	4.572	0	10	BJAE	
CCC[C@H](CC)CNC1(CC)CCCCC1	2244803878	BQRPAIWAQCENTB-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](C(F)F)n1ccc2cc(Cl)ccc21	2246144877	IMPNMDMXTAMWPO-JTQLQIEISA-N	243.684	4.511	0	10	BJAE	
CCC(C)(C)C[C@H]1CCc2cccc(C)c2N1	2246635545	KZNVVUNRKDQLRS-CQSZACIVSA-N	231.383	4.548	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)C2(C)CCCC2)C1	2246669994	UJSOOUCJAKGLRE-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(=O)CCCC[C@H]1C[C@H]1C)C(C)C	2247166809	VLTBSVKUVYOUOM-ILXRZTDVSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C[C@H]1CCCCN1	2250478272	HENOVNMVUBKCQN-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)C)CCC1CC(C)C1	2251758195	XWAZXHAGKCWWON-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
N[C@]1(CC[C@@H]2CCCCC23CC3)C=CCCCC1	2253860443	ZFWFLPKPXCJAHO-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
C[C@@H](C1CCC1)[C@@H](N)CC[C@@H]1CCCCC12CC2	2253866437	QYYIZXUSSJUMGB-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2c1N[C@H](CCCCC1CC1)CC2	2253873261	KQNBMYUUCUSQRL-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
CCCC[C@H](C)Oc1cc(C=O)cc(C(C)C)c1	2254722503	MESJOTOGYNLQOV-ZDUSSCGKSA-N	248.366	4.580	0	10	BJAE	
CC(C)C[C@@]1(CC[C@H]2CCCC23CC3)CCCN1	2255324645	ZJUDKXSCLUGUER-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CCCCCCC1CC1)[C@@H]1CC12CCC2	2256491921	YMNDHIJYPPSZCS-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C1(C2CCC2)CC1	2257245896	CORPYIFNNJAIJS-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccc(C(C)(C)C)cc1	2259465110	USEAIOMXGXFSPX-BBRMVZONSA-N	247.426	4.810	0	10	BJAE	
CC1CC2(C1)CC(CC[C@H](N)CC1CCCC1)C2	2259572159	OUASOBKRFOUNBO-LYOOIAODSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@]12CCCC[C@H]1CC2	2260535165	CPDMJVLFTGLBSQ-HLLBOEOZSA-N	246.394	4.662	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@@]12CCCC[C@@H]1CC2	2260578009	JFMNDOKJHQIKAJ-WBVHZDCISA-N	246.394	4.807	0	10	BJAE	
CCN[C@H](C[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2260610288	VCRWXRLONFOMKV-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CC(NC[C@]23CCCC[C@H]2CC3)C1	2260617510	UQENJNFHOYMJBT-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)[C@@H]1C[C@H]1C	2300466679	SQHAUMDYTKUJIY-UMVBOHGHSA-N	231.383	4.575	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1cc(C2CC2)ccc1Cl	2300674644	XBJPNTBDLZLWSN-HZMBPMFUSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CC[C@H](N)C[C@H]1CCC12CCC2	2300678151	HTAPBDUOQQRBBC-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCNC[C@@]1(CC=C(C)CC)CC[C@@H](CC)C1	2300869342	HORAMZOOHOMNET-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
O=Cc1ccc(SCC2CCCCCC2)cc1	2301247902	UYAAPJULJQTHMU-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
Cc1cc(-c2cc(C)c3ccccc3n2)cs1	2302236622	IZRRZVHIZDPMRZ-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)CCCCC2CC2)C1	2302752886	ITPCIMXIXMRMAK-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCc1cscc1N[C@H]1CCC2(CCCC2)C1	2302890249	RRPRZZZWXPJORS-ZDUSSCGKSA-N	249.423	4.835	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CC[C@@H]1C(C)(C)C	2303443157	ATXSAJCHUVRGGK-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CC[C@H]2CCC(C)(C)C2)C1	2304400409	WBKXWALAORBQKX-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)CC[C@H]1CCC(C)(C)C1	2304447980	TUBPZCYAXQEKFJ-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)CC1(O)CC2(CCCCC2)C1	2307844189	QNWSCQORIGWTCY-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@]12CCCC[C@@H]1C2	2316510355	MINUWQZNRKLJSR-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
OC1(CCCC2=CCCCC2)CC(C2CCC2)C1	2318534358	OQPOTRGBMDWPDQ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCOc1ccc(CCCC2=CCCCC2)cc1	2318572938	LTQMHAOQSHVCGT-UHFFFAOYSA-N	244.378	4.908	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H]1CC[C@H]1C(C)(C)C	2320209226	QECRMWSVOSPRCR-XHSDSOJGSA-N	249.442	4.548	0	10	BJAE	
CC1=C(C)C[C@@](CNC(C)C)([C@H]2CC2(C)C)CC1	2320265775	MWOFTFSRGBZGEB-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CC2=CCCCC2)CC1	2320402392	RONHHFVELUGZFZ-IAGOWNOFSA-N	247.426	4.731	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2ccc(C)c(F)c2)CC1	2320412565	OVBLXEHFEKNMJY-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
CC(C)c1cccc([C@@H](O)CCC[C@@H]2C[C@@H]2C)c1	2320584807	JAERIYJCIAJIHI-LXZKKBNFSA-N	246.394	4.670	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)CC2CC(C)C2)c1	2327794565	KJTFYJPADHYEED-KVULBXGLSA-N	246.394	4.588	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)C[C@@H](C)c2ccccc21	2328210064	OBOSKNMGGFFCMH-JKIFEVAISA-N	246.394	4.598	0	10	BJAE	
CC(C)C[C@H](C)Nc1ccc(C(F)(F)F)cc1	20563768	QRWDVKDCNVGDGR-JTQLQIEISA-N	245.288	4.552	0	10	BJAE	
CCCCc1ccc([C@@H](C)N[C@@H](C)CCC)cc1	21811453	RYOOEMJXYSKUHR-LSDHHAIUSA-N	247.426	4.868	0	10	BJAE	
CC(C)[C@H](Nc1ccc(F)cc1)c1cccs1	37210566	PVHLGAHIHMDNHV-AWEZNQCLSA-N	249.354	4.696	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)c1ccc(CC)s1	50402618	IZLJCYFMUDUIKX-NEPJUHHUSA-N	239.428	4.540	0	10	BJAE	
CCCN[C@@H](CCC)c1cc(CC)ccc1CC	70535844	GIKTYJPPLOHLLS-KRWDZBQOSA-N	247.426	4.652	0	10	BJAE	
CC1CCC(CCN[C@H](C)c2ccccc2)CC1	70538354	CKZJQRZERPIOBG-HWOWSKLDSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccc(Cl)cc2C)C1	70748776	HJXITPFZXKUBRG-YPMHNXCESA-N	237.774	4.639	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2cc(F)ccc2C)C1	71154709	DDJMGLQRMZPOLH-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
COc1ccc([C@H](C)c2ccccc2)cc1Cl	75841880	XIOSMLBELZRSPH-LLVKDONJSA-N	246.737	4.500	0	10	BJAE	
CCC(C)(C)[C@@H](N)c1ccc(C)c2ccccc12	79904679	IOTWRRHQDCFRLC-INIZCTEOSA-N	241.378	4.584	0	10	BJAE	
CCC1CCC([C@@H](N)c2cc(C)cc(C)c2)CC1	87934288	WMQYWNNRVWWZQA-VMBOVVBDSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@@H](NCC)C1CCC(C(C)C)CC1	87966032	VJYFKFMCBJFFQV-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC1(C)C)C1CCCCC1	94308504	JKJFJHQIVBELPA-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)c1ccccc1	103930940	AXZDFQZLZYDLPK-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CCCCCC[C@H]1CCCc2ccccc2[C@H]1O	109995026	MZTMGWYQVQOPBG-RDJZCZTQSA-N	246.394	4.643	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNC	131823864	NAESBDRKIKBXNM-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1CCCC[C@@H]1CC	165773341	RFOCZHXOARCGHR-DZGCQCFKSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H](c1cc(C)c(C)cc1C)C(CC)CC	168651300	GGOXZZOPZWZYIB-KRWDZBQOSA-N	247.426	4.699	0	10	BJAE	
CCCC[C@H](C)Nc1c(F)cc(F)cc1Cl	215737984	PVFPKDATAHZPEZ-QMMMGPOBSA-N	247.716	4.609	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CCC[C@@H](C2CC2)C1	226994256	ZVIPPAWXCWDQTD-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](CC)C2)C1	251907659	XLGNEUAVUMGGKN-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCCC)[C@H](C)CC	253021013	BTCBECMCUKODQQ-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](NCCCC(C)(C)C)c1ccccc1	302246012	AOLZVMPTEZPAJI-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NCC1CCCCCCC1	302351496	WOGJIWDWIYUUHT-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)c1ccc(CC)cc1	302388283	NNGUKBAGKKUBCV-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1ccccc1CC	308061245	ZVFUHYRDAUJZCB-HNNXBMFYSA-N	246.394	4.894	0	10	BJAE	
CCCN[C@H](CC(C)C)CC1CCC(C)CC1	310467447	AIFYFSYZUITQQI-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)CCCc1ccccc1	310579701	YDYWKRKOBXGAAS-INIZCTEOSA-N	247.426	4.553	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cc(C)ccc1Cl	313395371	OQZOYHHMYCJNLC-BXUZGUMPSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@](CC)(CNCCC)[C@H](C)C(C)C	319271526	FFNGBJXEEUJCPS-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
Cc1csc([C@@H](O)CCCCCC(C)C)c1	383213614	QJLLNVXPIGMVJQ-ZDUSSCGKSA-N	240.412	4.696	0	10	BJAE	
CCCCC[C@H](C)NC(C1CCC1)C1CCC1	383876210	IQECQEYBNMDOES-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCC[C@]1(CN)CCCC[C@H]1C	384786801	UXWHCWTWMLMOJS-HZPDHXFCSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@H](CC)CNCC(C)(C)C1CCC1	384964410	OAJJXTRCPWSSBG-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC1(C[C@H]2CCCC[C@H]2CNC2CC2)CCCC1	385582704	AUZDZSPIGCJOBX-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1C)C1CCCC1	387668818	PIPQZPICJOBCDP-OAHLLOKOSA-N	231.383	4.684	0	10	BJAE	
CC(C)/C(=C/C1(C)CCCCCC1)CNC1CC1	394657822	BDEQQPGZXIEGQQ-NTCAYCPXSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(N[C@H]2CCCC23CCC3)ccc1C	394869171	RFZUWUVZSFJFOM-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
CCc1cc2ccc(C(F)F)c(S)c2s1	396231543	AJCVUOREQBHSJX-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCC[C@H](Nc1cccc(C)c1)[C@H]1CC1(C)C	397631314	OHCVLOMSLSOFRP-CABCVRRESA-N	231.383	4.622	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)CC1=CCCC1	400541471	YGBHVVGCFSDEGE-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(O)c(C)c(-c2cccc(C(F)F)c2)c1	686551126	MOYDKRVUBRROIJ-UHFFFAOYSA-N	248.272	4.614	0	10	BJAE	
CCCCCC[C@H](NCC)[C@]12CCCC[C@@H]1C2	693169507	FQMMDOSKCVUSMZ-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCC12CCCC2	694324974	FDCYLZPIJCAAMG-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@@H]2CCC23CCCC3)C1	694330951	OOJYVAIMIABMQK-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CCCC2(CC2)C1	695959318	XMZXUAWTPGXMRZ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCC2CCC2)cc1C	701564525	UOZYAOLSTVYEBX-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CC(C)=CCCc1ccc(C(C)(C)C)cc1	704742373	UIMSSDFOTCQTPO-UHFFFAOYSA-N	216.368	4.883	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@](C)(O)CC1CCCCC1	704882674	HQQRCHHLQOJKDF-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)N[C@H]1C[C@H](C)CC(C)(C)C1	708312391	VSAYLUMHJHIRTQ-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc(Cl)cc1C	708439855	CVIVYTLWVKLSAE-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCC[C@](C)(CNCC)C[C@@H](C)CC(C)(C)C	709106922	PUBNPXIXYYJBMO-HOCLYGCPSA-N	241.463	4.865	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C23CCC(CC2)CC3)C1	710323074	DENPJFVJWHNJIO-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
CC(C)C(C(=O)C[C@@H](C)C(C)(C)C)C(C)C	711151827	MZCUOARIRGOKLR-GFCCVEGCSA-N	226.404	4.556	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@@H]2C[C@H]2C2CC2)CC1	712900550	XHVWWIPQPRIPQF-ZBFHGGJFSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1NCC(C)(C)C(C)C	713147387	HSVCDGMJLFOZGH-UHFFFAOYSA-N	233.399	4.733	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C(C)C)C1CC1	713176301	VUWLKJMLJIWJGF-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCC[C@H](C)c1ccccc1	713653462	BEINWSKJGUBKSU-NNTXTVRGSA-N	200.325	4.703	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)C1CCC(C)(C)CC1	713740083	NRDQTHZYWBZMBU-PTZVLDCSSA-N	249.442	4.703	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714296527	AQQYKHZMHOPILR-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	723123929	MMLBQOIYPSUXHB-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c([C@@H](C)SC2CCC2)c(C)c1	1166211718	IFYTXBXBNKPLHM-CYBMUJFWSA-N	234.408	4.959	0	10	BJAE	
C=C/C=C\CCS[C@H]1CCCc2ccccc21	1307293693	PVTRLUVTVMPPED-QGZUEGPWSA-N	244.403	4.930	0	10	BJAE	
CCCC[C@@H](C)[C@H](C)NCC(C)(C)C(C)(C)C	1308784093	CJXICXPKTWQMTC-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCCCC1(NC[C@H](C)C2CCCCC2)CC1	1473870411	JWZJEBSWXAJXQL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C=C/C=C\CCS[C@@H](C)c1ccccc1OC	1640941803	MDHYUQZGYUZNSF-SZZPACECSA-N	248.391	4.622	0	10	BJAE	
c1cc2c(cc1CSCC1CCCC1)CCC2	1644290701	GPCYUYSSOUYGQI-UHFFFAOYSA-N	246.419	4.599	0	10	BJAE	
CCC(CC)CSc1c(F)cc(F)cc1F	1656231840	GZDMMKHTEOBVFW-UHFFFAOYSA-N	248.313	4.632	0	10	BJAE	
CCC[C@H](C)CCNC[C@H]1CCCC[C@H]1CC	1659927376	BLAZFDPYXAOBAA-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@@H](CC(C)(C)CC)NC	1900706019	XSUCRJVFEZGOHX-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](CCCC(C)C)NC	1900714592	WVTCKDGQGMYJDK-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
C=CC=CCCC(=O)c1cc2ccccc2s1	1911778631	QHGCBHOZWCEBLE-UHFFFAOYSA-N	242.343	4.606	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2CC3(CCCC3)C2)C1	1912603447	FFCMAYNNYBXVGX-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C2CC3(CCCC3)C2)C1	1912646414	SBQKKVBOFBXMRJ-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CC1CC(C[C@@H]2CCCCCCCC[C@@H]2O)C1	1913386495	MWTCLZRTXMIIEG-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@@H]1CCCCCCCC[C@H]1O	1913398745	SETAXNDBKHIMCO-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCCC=CCNCC(C)(C)CCCCC	1914668555	ZOSQVYUEDYWMEK-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC3(CCCC3)C2)C1	1916442901	RZFUDFAZYAMLRK-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CC)c1cccc([C@@H]2CC2(C)C)c1	1916483217	BVDLAGGFFPWFRV-HOTGVXAUSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1CC2CCC1CC2	1919511899	VRKZRYFGTFOTFL-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CC(C)NCCCC[C@@H](c1ccccc1)C(C)C	1921318022	ATYGYGARFDQKST-QGZVFWFLSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@H](C1CC(CCC)C1)C(C)(C)CC	1921319886	KNPDEQYNUPSPPL-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC[C@H]2CC2(C)C)C1	1921418764	ISZVIHHUBPKWGW-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@]1(CC[C@H]2CC2(C)C)CCCCCN1	1921541536	QHLZTEFSKBFRDD-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@](C)(CNC(C)C)C1CCCCC1	1924079208	SZVDTDWESVIXRG-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C(C)(C)C1(C)[C@@H](N)C[C@@H]1C=CCCCC1	1925772669	NYIBPLNAIMRWLN-KGLIPLIRSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1C[C@H](CC[C@H]2C=CCCCC2)C[C@@H](C)O1	1925875750	YDTHERGLEIYIKH-FZKCQIBNSA-N	236.399	4.717	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@H](C[C@H]2C=CCCCC2)C1	1925888254	FUEJWKOYEWQSSA-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@H]1C[C@@H]1CC	1925949879	VPQVOMUDZMDAPT-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(N)CC1(C)CCCCC1	1940405227	FXXKQTZIDSILFS-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC2(C)CCCCC2)C1	1940405486	BZZVZZWMTZPMDT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@@](C)(CC)CC1(C)CCCCC1	1940408805	VORMOWWJEJCAGV-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(O)CC1(C)CCCCC1	1940411520	YNUCJZXZKHYOCE-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCCC2(C)CC2)CC1	1940844034	ATZRYYMDBAXMQW-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](CC[C@@H]1CC1(C)C)NCC	1940856520	OQBHCJRNWVAGAL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CC)CCC[C@H]1CC1(C)C	1940880763	BUOAXVLXEGGSSX-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](CCCC(C)C)[C@@H](CC(C)C)C(C)C	1941267629	VBZFVFKUMPPAFZ-HOTGVXAUSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC(C)C)[C@H](CC)C(C)C	1941271014	AXVAWOHYBRALTR-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1CCCCCC1CC1	1941688022	RADWZMRXCCYRSH-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](CNC(C)(C)C)C1CCC1	1942093722	VLBICYZVEGTDHG-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H]1C)CC(C)(C)CC	1944847137	VBHUHTSWGHLGAL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cccc(C)c1C	1947464799	QTGCWCGRHHEFRI-GDBMZVCRSA-N	231.383	4.684	0	10	BJAE	
C[C@@H]1C[C@@H](NC2CCCCCCCCC2)[C@@H]1C	1947866919	POYKLMVBECEQQC-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCC(F)(F)CCC(=O)C[C@H](C)CC(C)(C)C	1948001238	PBDVBZDXOPLNRU-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1CC2(CC2)C1	1948158565	XNDOXVZVRWTQGN-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@]2(N)CCCC[C@H]2C(C)C)CCC1	1948981355	QKJGVULPLSCCCE-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H]1c2ccccc2NC[C@H]1C	1949113158	VNSDXKDEPZPRAH-ZIAGYGMSSA-N	231.383	4.658	0	10	BJAE	
CCC(C)(CC)[C@@H](N)[C@@H]1CCCC(C)(C)CC1	1950919198	NLHJNEPYZRFOIZ-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC(F)(F)CCC(=O)[C@H]1CCCC(C)(C)CC1	1950921083	BMYZWBCNWFBKOL-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1cc(Cl)cs1	1958188663	GQTQHLNJISCLFU-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
CCC[C@@H](C)N(C)Cc1ccccc1C(C)(C)C	1964555929	USFQVXYRPUVKKU-CQSZACIVSA-N	247.426	4.605	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)c1	1968341126	IILZDZJZGVJESF-BRXULGCHSA-N	249.373	4.617	0	10	BJAE	
CC(C)Sc1ccccc1N[C@@H]1C[C@@H](C)[C@@H]1C	1970342606	KTGPZKKVVJCMDU-MBNYWOFBSA-N	249.423	4.644	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1CCCCC12CC2	1972741185	BLPUQNZTIPPIRL-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCC1(CC)CC(NC[C@@H]2CCCC23CCC3)C1	1973679013	HREDTXFINQZGNC-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C=C=CCCCc1ccc(C(C)(C)C)cc1	1985441091	ALZRZCYXWIRHAJ-UHFFFAOYSA-N	214.352	4.648	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1)[C@@H]1CCC1(C)C	1987995686	OJUCAKMVQHOZRO-GWCFXTLKSA-N	237.774	4.577	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC(C(C)C)C(C)C	1988296381	VWFRMIQMPQHTMV-CYBMUJFWSA-N	226.404	4.700	0	10	BJAE	
CCCCC[C@@H](CC)NCC(C)(CC)CC	1990091236	LQBAVIPXFMGUMH-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCCCC[C@H](CC)NCC[C@@H](C)CCC	1990091866	RZRSGYSIUNBGNQ-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C(C)(CC)CC	1995261155	BJVIDYNRCICIIE-UONOGXRCSA-N	228.420	4.780	0	10	BJAE	
CC1(c2nc(C3CCCCC3)cs2)CCC1	1995496256	JBIVZDNTLAOZPA-UHFFFAOYSA-N	235.396	4.632	0	10	BJAE	
CCC(C)(C)CN[C@H](C)C1CCC(C)(C)CC1	1996556017	XSDJPFLVWSCTHG-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC2(CCC2)C1)c1ccsc1	1997041541	BWFRLQQAZFUYHP-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)C[C@@H]1CCC=CCCC1	2000007118	RAQYNRMBVZRISX-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CCCC1(F)F	2000214089	VGQPYRXFBZBAJL-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1CC1(C)CCC1	2001153946	OJQQMYZGYVBVSR-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](O)CCCC2CCC2)C1	2002978731	KYXPQYYDXDNBCD-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(O)CC2(C)CCCC2)C1	2002998321	KHUYYPWZCNWNJP-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CN[C@H](C)[C@H]1CCCC(C)(C)C1	2003023069	WGFIZDSETUPQGA-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1CC=CCC1	2003074006	GKAGVYCKQGHIHX-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CC(F)(F)CCC[C@@H]1CCCCCCCC1=O	2003074353	MOWMTVGJNPKOFE-LBPRGKRZSA-N	246.341	4.742	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCC(C)(C)C2)CC1	2004341723	MGCCFVDWXLMKSL-BBBYJDLNSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)C1(C)CCCCCCC1	2004922301	GLMLVSABHMKAQJ-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CC1([C@@H](O)CC2=CCCC2)CCCCCCC1	2004922774	KJZRAAQUFDOXQX-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)C1(C)CCC(C)(C)CC1	2007697320	OWQJHCOXUSYZHI-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCC1CC(CC(=O)[C@H](C)C2CCCCC2)C1	2007767912	RNEDWOJNQGMJMU-IYXRBSQSSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H]1CC[C@H](CCC(C)(C)CC)[C@@H]1CC	2009248835	LKKLBYORKPMHHO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1(CC)CCCC1	2009620798	YDEBWNZJQNBCIW-NFBGWVBBSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@H](C)C[C@H]1NCCC	2009626156	DGVFPTPUHOZOFZ-DEOFCCLISA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C[C@H](N)CCC[C@H]1C[C@@H]1C)C(C)(C)C	2011584490	SPDSCMOVPAFHRG-BYNSBNAKSA-N	239.447	4.602	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](NCC)CC(C)(C)C1	2012065368	WQLPXEYLBPKJAU-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H]2CC(=O)CC(C)(C)C2)C1	2012084426	OFQPRYZEZQVFGQ-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@](CC)(CNC(C)C)C(C)C	2012427846	YAYRCAORDMHBMJ-INIZCTEOSA-N	239.447	4.783	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@H]1CC12CCCC2	2013266916	LVFDLBQDGSZAEF-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@H](C)CC(C)(C)C	2013319041	JZAIBDXEHMITHA-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCNC[C@]1(CCC(C)=C(C)C)CCC1(C)C	2014853932	NCLQFJLPZLTRPD-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)[C@@H]1CCCCC12CCC2	2015386351	BZAVDKUUEDSSAW-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(CCC(=O)[C@H]1CC[C@@H](C)C1)C(C)C	2015390318	KDOVLCDEOMOAFN-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CC(C)=C(C)C[C@@H]1CCCCCCCC[C@H]1O	2017428474	ALKNXBUDVWVHHL-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@@H](C)C2)CC1	2017720119	FOGJRXOCIFASKX-LMPOIIKSSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(N(C)[C@@H](C)CC(C)C)CC1	2019295007	GSONFEPYEDPSSA-FHERZECASA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1CCC[C@H](C)C1	2020964437	HIIAXZKMCBMZCU-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
CSc1ccccc1NC[C@H]1C[C@H]1C(C)(C)C	2022478919	XQZYFQQOUMQUIG-VXGBXAGGSA-N	249.423	4.503	0	10	BJAE	
O=C(CC[C@H]1C[C@@H]1C1CCCC1)c1cccs1	2022556318	FBEUJHNMYXLKFK-QWHCGFSZSA-N	248.391	4.537	0	10	BJAE	
CCC[C@H]1C[C@@H]1CN(CC(C)C)C(CC)CC	2022567915	KGVHPLOUMFPYFP-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC[C@@](N)(CC1CC1)C[C@H]1CCCC(C)(C)C1	2024088833	KNFFMNXWIOBLJF-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](O)(C[C@@H]1CCCC(C)(C)C1)C1CC1	2024128198	KXSLELVGNCEQIO-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CC1(C)CCCCC1	2027274063	AWYOOAWMSWQZNO-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@@H]1CC=CCC1	2027518727	VFSYWTMXYYXHAT-RHSMWYFYSA-N	244.378	4.590	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)NCCCC2(C)CC2)c1	2027807494	GWNYPWUVSNKJLS-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)CC[C@H]1CC1(C)C	2027824625	DGIPSMQNEWOXEE-BBRMVZONSA-N	246.394	4.670	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CCN[C@@H]2CCCC[C@@H]12	2028634887	VQVSJYBNOGBSPG-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CC[C@H]2C[C@H]2CC1	2028965224	QSBSRGFVWWAPFS-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H]1CNc1ccccc1C(C)(C)C	2032514794	OOQLOTKWMYZKGO-KBPBESRZSA-N	245.410	4.832	0	10	BJAE	
C1=C[C@@H](CN2CCCCC23CCCCC3)CCC1	2035551579	IENRZAHOSZVIPG-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(C[C@H]2C=CCCC2)C1	2035587730	MIKWQGVZYAIVGB-AWEZNQCLSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)C1CCCCC1	2035603836	XBWIJPOIRSEITR-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC([C@@]2(N)CCCCC23CCC3)CC1	2035927893	VGSHAACDFWVTFU-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@H](C2CCC2)CN1C1CCCCCC1	2036779402	ILARUHDRGLDGSO-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(N)CC[C@H]2CCCC[C@H]21	2037176071	PHSZNSLTGFIALJ-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CCCNCCC=C(C)[C@@H]1CCC2(CCCC2)C1	2037692383	FEIYSMPTGXWUCD-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC2CC3(CCC3)C2)C1	2038077568	ADVDXSSJLOTQMH-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CCC1(CO)CCCCC1)c1ccccc1	2038746107	IAGWFNRIGMHKFS-HNNXBMFYSA-N	246.394	4.513	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@@]1(C)CC=CCC1	2042018063	AXXHFCVSNDEJAI-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@H]1CC=CCC1	2042019054	LHEUJESATZCLSE-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2042345542	ROSXFWPSQMCVQX-NCOADZHNSA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC=CCCC1)CC1(C)CC1	2045324711	YGKLOBYBRLHAJP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCCC[C@H]1N1CCCC12CCCCCC2	2046561460	GEKMBYOIFLVLHV-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
FC1(COc2cccc3ccccc23)CCCC1	2047249589	ZGODPHPUNHEWLZ-UHFFFAOYSA-N	244.309	4.501	0	10	BJAE	
CC1(C=C2CCC3(CCCN3)CC2)CCCCC1	2048953241	OCWWUTCXYFPROQ-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC3(CC3)C2)CC1	2049947484	GYJTXJHDCHIABR-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1[C@H]2CCCCC[C@H]21	2051401531	MBVUKJLJSYIXGA-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(NC[C@H]2CCC3(CC3)C2)CC1	2051599480	OURWWVPKPSMMHF-FHERZECASA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(N)(C2=CCCCCCC2)CC1	2051614959	UQOGKGFNBSLPEN-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CC[C@]1(C)CCc2[nH]c3c(C)cc(F)cc3c2C1	2051617403	OOFQVCSIMIARLW-MRXNPFEDSA-N	245.341	4.520	0	10	BJAE	
Cc1cccc(C(=O)[C@H]2CCCCC23CCC3)c1	2053360997	RZWPKSZUHSLLSQ-OAHLLOKOSA-N	242.362	4.538	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)C[C@H]1CCC2(CC2)C1	2053405151	VTDVQIVQQMGWRZ-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CCC1(C)CCC(N)(CC2CC(C3CC3)C2)CC1	2056650233	FILHRUBNVXPOOS-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H]1CCC[C@@H](C)CC1	2056871330	SBTSSRXNDGGHLV-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C1(C2CC2)CCCC1	2057608799	JUSNNMFYJLHDBH-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CCC1=CCC[C@]1(N)C1=CC[C@H](C(C)(C)C)CC1	2061121469	GLKVVVKILOBQSQ-WMLDXEAASA-N	247.426	4.587	0	10	BJAE	
CC1(C)CC=C(C[C@@H](N)CC2CCCCC2)CC1	2061147107	LVTXAEQVWVOPLZ-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)CC2CCCCCC2)CC1	2061150685	NEKBASZRXXSCQE-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CC1CCC([C@](C)(N)CC[C@@]23CCC[C@@H]2C3)CC1	2061615831	HTRZVVOFVYKXPX-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CCCOc1ccc(CC2CC(=C3CC3)C2)cc1	2061718730	PFZLNEZTMRHYEE-UHFFFAOYSA-N	242.362	4.518	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC1CC(=C2CC2)C1	2061737402	QQVZEHUBMCNNCO-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNc1cccc(C2(C)CC2)c1	2062641760	LCTQKAOWCYPJNB-KBPBESRZSA-N	243.394	4.586	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063411018	YBTXTYKQPIXHAL-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
C(CCNCC12CCC(CC1)CC2)CCC1CC1	2065259850	OVURGZLEJVQSPK-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)C1CC(=C2CCC2)C1	2068836033	GXKZJTBOQRTYIA-CXAGYDPISA-N	249.442	4.537	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C[C@@H](C)C(C)C	2068991959	STJSFEAPEXKGCI-CQSZACIVSA-N	246.394	4.750	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C[C@H]1CC12CCC2	2069216056	WJJPBHHQOUTFDI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@H]2CC23CCC3)CCC1	2069342665	QXSOXELVQGLACV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)C1(CC(C)C)CC1	2069517759	QAIFQFVDWKPRCA-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)C1(CC(C)C)CC1	2069517760	QAIFQFVDWKPRCA-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
NC1(C[C@@]23CCC[C@@H]2C3)CCCCCCCCC1	2070959484	POHAQHSBFQMCOH-CVEARBPZSA-N	249.442	4.789	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@]1(N)CCCC2(CCCCC2)C1	2070977933	URBLEWXFDUZSOO-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCC23CCCC3)CC1	2072794598	WDEISMICPIMXCZ-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@](N)(CC)c2cccc(C)c2)CC1	2074571176	JNIZEYLOEAUGJD-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)c1c(C)coc1C	2074645895	GZHWFRIJBQLOMU-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CC=CCC23CCCC3)C1	2074905525	IWNIBNQNYYSPEV-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
Cc1cccc(C)c1CN(C)[C@H](C)CC(C)(C)C	2074918649	JVCZYSMWFTVCCX-OAHLLOKOSA-N	247.426	4.560	0	10	BJAE	
CC=C(CC)[C@@H](NC)c1ccccc1CC(C)C	2077194149	HTYCWQNJJDEVIV-QGZVFWFLSA-N	245.410	4.502	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H](C)c1ccccc1	2077197620	SFJDEHKGOWIULZ-PBHICJAKSA-N	245.410	4.515	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H]1C[C@H]1C(C)C	2079429628	YDKOJHLOJSULQQ-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)n1C[C@H]1C[C@H]1C1CCCCCC1	2079481832	XMJCXWDSKJGRHX-SJORKVTESA-N	245.410	4.711	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)[C@H]1CCCCC12CCC2	2079633981	QQTHBHIQQIYMNK-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2C[C@H]2C(C)(C)C)cc1C	2079862191	IDCJGQGQMBRYPB-HUUCEWRRSA-N	244.378	4.558	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@H](C)C1CCCCC1	2080249806	QQRVHBJSFPWQAC-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1C[C@H]1C1CCC1	2081785275	KLUJAQOOKXJDPW-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC(=CC1C[C@H](C)C[C@@H](C)C1)[C@H]1CC[C@@H](N)CC1	2082134630	WDWURVYOCQLGJQ-KFZJALRRSA-N	249.442	4.523	0	10	BJAE	
CCCCCC[C@H](NC)c1scc(C)c1C	2210567035	FDTZWUYWLCIVRU-ZDUSSCGKSA-N	239.428	4.596	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CCCCCCC1CC1	2213576839	VHYMOSAYUNNAHN-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CCCCC1CC1)CNC(C)C	2214567444	DXUFTQDMSUNCFL-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@](N)(CCCCC2CC2)CC1	2214585803	UKIZNOALTUDMJH-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1(C)CC2(CCC2)C1	2215390677	ZLICIRXXRUTSBM-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](O)C(C)(C)C(C)(C)C)C1	2215394209	QGTWCENJCNNUAE-GFCCVEGCSA-N	240.431	4.636	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)c2cc(C)c(C)s2)CC1	2215823350	IBUOEIUJOCRQSP-OAHLLOKOSA-N	248.391	4.684	0	10	BJAE	
CCCC1CCC(O)(CCCCC(F)F)CC1	2216454761	ZRKDJORFVSGNNK-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CCC(CC)C1(CN[C@H](C)CC)CC(C)(C)C1	2217158197	ZCPDHAXZGSEUPN-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC=CC1	2218331034	ITYUKPAAUOBCCH-FICVDOATSA-N	246.394	4.518	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218349341	GLWDNQMYLLETCN-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
C(CCC[C@@H]1CC[C@@H]2NCC[C@H]2C1)CCC1CC1	2218721410	RDTKZCKTJDULKL-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
NC1(CCCCC2CC2)C[C@@H]2CCCCC[C@H]2C1	2220040113	LHXDWGDOMZKSSQ-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
NC[C@@H]1CCCC2(CCC2)[C@H]1CCCCC1CC1	2220046553	OFCMEIAFHFKYQU-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
N[C@@H](CC[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2220298650	JZXRTOWYKSIJDB-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)CC[C@H]1C[C@@H]1C	2220963519	SUVVWSFFYGCLBL-KBPBESRZSA-N	244.378	4.504	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@H](N)CC2(C)CC3(CCC3)C2)C1	2221071429	JTNRRZKBDLLFFP-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)[C@H]1CCC[C@@H](C)CC1	2221997621	UYMVFPROHHUPKR-ISTRZQFTSA-N	246.394	4.553	0	10	BJAE	
O=C(CCCCCCCC1CC1)C[C@H]1CC12CC2	2223132473	KJLREUIAGIDQAC-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)c1ccc2occc2c1	2224129883	BJCWUJPPNKSCJF-BLLLJJGKSA-N	245.366	4.505	0	10	BJAE	
CCCC[C@H](N)CCC[C@H]1CCC[C@H](C)C1	2242764418	XFEPFUBXMMJXQM-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](N)CCCCCC[C@@H]1C[C@@H]1C	2243887000	ZTQOWEGVQCLSPG-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCc1ccc(C(F)(F)F)cc1Cl	2243961938	JWEHHZMRRXAASF-UHFFFAOYSA-N	248.675	4.868	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)CC[C@H]1CCC[C@@H](C)C1	2246662021	DAEYTUWHYTXBGC-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@](O)(CC)C1CC2(CC(C)C2)C1	2247068042	RBJKLLWROGFVRM-AUSYRVNMSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(NC(C(C)(C)C)C(C)(C)C)CC1	2247719612	VTSSWCVTVJHZMN-UHFFFAOYSA-N	239.447	4.616	0	10	BJAE	
CCc1ccsc1CNc1ccc(C)c(C)c1	2247997933	AFLLLKPOEPDZAP-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
Cc1cc([C@@H](O)CCC(C)C)cc2ccsc12	2248567335	JXPGEEWTMBLWTF-AWEZNQCLSA-N	248.391	4.679	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@]12CCCC[C@H]1CC2	2251220072	LGYNTGFZNQHAEU-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@H]1[C@H](O)C(C)(C)CCC1(C)C	2251709565	YEUWLBCRXUKYQQ-OLZOCXBDSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H]1[C@@H](CCC(C)(C)CC)CCC1(C)C	2251722332	SVBFJXMDPORFGN-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)CC2CC3(CCCC3)C2)CC1	2254103015	FXYHYCREYYUXDH-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC([C@H](N)CCC1CCCCC1)C2	2254489394	WPLPPGAPASKYDS-XOJNLIDHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC12CCC2)[C@@H]1CC1(C)C	2255018268	ZLOFDBCLPVRGLE-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCCC23CC3)C1	2255329496	ZXNXLYABUWGWGV-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H]2[C@H]3CCC[C@@H]2C[C@H](N)C3)CCC1	2258012829	SRIIVEBOPGMGJH-SYMSYNOKSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@H]2CCCCC[C@@H]2C)cc(C)c1C	2258233753	RJNIYPJERIWVFW-SJCJKPOMSA-N	245.410	4.993	0	10	BJAE	
c1cc(NCc2ccoc2)cc(C2CCCC2)c1	2260734785	CPFLBZGXYLEGTH-UHFFFAOYSA-N	241.334	4.549	0	10	BJAE	
CCC(C)(CC)CNc1ccnc(C(C)(C)C)c1	2260744704	BBPXTKKFNSZIMY-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@@H]1C[C@H]1C(C)C	2297876248	JUSYJNDXEQGNOD-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC(C(=O)[C@H](C)CC2CCC2)CC1	2298871127	YCJXMBSMHXEYSG-DNOWBOINSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@H](C)CC1CC1	2298938881	JRLNUIOKKGFIJQ-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC(=CCN1[C@@H](C)CC[C@H]1C)CCCC(C)C	2300885253	FBKWHRSNLJXSQC-IYBDPMFKSA-N	237.431	4.632	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)[C@H](C)C(C)C	2301830270	WGPVEBGUBLIBLM-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@@H](C)[C@@H](C)C(C)C	2301831625	FLPXIPOTWZNQRG-OFQRWUPVSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N1CCCCCCCCC1	2301979835	YFRPRXOPRJLMPX-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1[C@H](C2(N)CCCCCCCC2)CC1(C)C	2302169074	JJUOMKXMVXUBTD-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C)c1cccc(C(CC)CC)c1	2302230720	KMTBLUOIJGGHBR-ZDUSSCGKSA-N	233.399	4.651	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCCCCC[C@H]2O)C1	2302675894	POXHFFTVTRNRGP-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCCN(C[C@H]1CCC(C)(C)C1)[C@@H](C)CC	2302875054	DDNPWAWUOVFEFH-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1CC[C@@H]1C(C)(C)C	2303466036	RYXWIZNMQOHHIT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H]1CCCCCCC[C@H]1O	2303569493	SJULVXBNPUQVOI-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@H]1CCC(C)=C(C)C1	2303579632	PAZYMZCGJPELSB-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCCC(=O)c1cccc(C(C)C)c1	2303710968	KHSMJVVYDPHYCJ-SNAWJCMRSA-N	230.351	4.739	0	10	BJAE	
CCCC(C)(C)CNCC[C@@H]1CCC(C)(C)C1	2304361791	XLPUPTZQJMMZRH-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](N)(CC)C12CC(CC(C)C)(C1)C2	2304397980	ZXFVDAYCDWTYMX-GPANFISMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H]1CCC[C@H](C)[C@@H]1C	2307752455	RPOAVNSVJCAVDY-YHUYYLMFSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](CC)CC1CC2(CCC(N)CC2)C1	2307819360	KUNJGDMSLOCDPW-JYLOXXHMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](CNC(C)(C)C)C1CC1	2307834320	IYBVRGAWGOZUNV-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@H]1CC[C@@H]2C[C@@H]2C1	2308937654	VVLILDUSMFGZCK-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@H](C)CC1CCC1	2313588067	SCELYWUFKHFOEZ-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1CC=CCC1)CCCC(C)C	2316500594	AXQKVJMCCFFYRQ-SJORKVTESA-N	249.442	4.833	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316749593	LUMKTCXWJZLTDI-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@]1(N)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316868724	AHJYKKHZMVBDFC-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316869992	MLMYCVOGWAWSIH-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316881756	SMENLISTPFJKFF-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1CCC[C@@H]2C[C@H]12	2317011213	VVBTWUKPZWAGRD-BFYDXBDKSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCC1CCCCCC1)c1cccc(F)c1	2317019881	BCLITQBOZNJLMD-INIZCTEOSA-N	249.373	4.576	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)CCC1=CCCCC1	2317906634	JAATURNZEWFROQ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@](N)(CCCC1=CCCCC1)C1CCC1	2318568454	LKDGWLXSOHFFBN-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@@H]1CCC1(C)C	2318591637	AFQPZDPGMDPWEL-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)CCC[C@@H]2C[C@H]2C)CC1	2318928664	DMROWZVOXDLHND-MUIFIZLQSA-N	249.442	4.523	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2320251392	ZVPOFTQUFIGZSY-DZGCQCFKSA-N	244.378	4.640	0	10	BJAE	
CC1=C(C)C[C@](N)(CC[C@H]2CCC[C@@H](C)C2)CC1	2320267961	KOLBBYOIIXHEHK-KBRIMQKVSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)CCC2CC(C)C2)CC1	2320389372	ZROCOFLEJRZKNX-ULNHQPMUSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1CCC[C@H]1C	2320411838	GIYXTNDKVATQRK-MWQQHZPXSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C[C@@]23CCC[C@@H]2C3)CC1	2320413031	LUTAKTAJHXUBSU-UXLLHSPISA-N	246.394	4.662	0	10	BJAE	
Cc1cccc(C)c1NCC[C@@H]1CCC(C)(C)C1	2321528998	KTFYGQQCGQDKIC-HNNXBMFYSA-N	245.410	4.932	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@H]2CC[C@@H](C)C2)c1	2327672416	DTYWAVSCICZDBP-HACGYAERSA-N	245.410	4.554	0	10	BJAE	
CCCCCc1ccc(NC2CCCC2)cc1	20552685	NTSHSROSBQTQHX-UHFFFAOYSA-N	231.383	4.774	0	10	BJAE	
CCCCC[C@@H](C)NC[C@H](CC)CCCC	21055643	VZAMQBJCSALNHW-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCc1ccccc1N[C@@H](C)c1ccc(C)cc1	21061210	SFOKOOMJTXZEQL-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
O[C@@H](c1ccc(C2CCCCC2)cc1)C1CCC1	36164956	JNJNZPGUFGCONB-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCC[C@@H](N)c1ccc(-c2ccccc2C)s1	36666780	AHMSMLXFZNKLKQ-CYBMUJFWSA-N	245.391	4.523	0	10	BJAE	
C[C@@H](NC(C)(C)CC(C)(C)C)C1CCCCC1	37312537	ABLFZXUNUPJQTL-CYBMUJFWSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](N)c1ccc(F)c2ccccc12	70372841	LPVUYDWFJYCSQV-INIZCTEOSA-N	245.341	4.559	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCCC1CCCCC1	70977916	FSQIYGUSNRGNRN-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@](CC)(CN)CCCC	82441768	PTNQCAUSHNZMBP-AWEZNQCLSA-N	213.409	4.502	0	10	BJAE	
CCC1CCC(C(=O)c2ccc(C)c(F)c2)CC1	85078722	PVHPEZSAEXJIFW-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCC[C@@H](C)CC2)c1	86879262	PMEHGVQESPUGPI-DOMZBBRYSA-N	231.383	4.684	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCC2CCCC2)CC1	86939012	HTGSYIDAZLVDDL-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](N)c1cc2c(C)ccc(C(C)C)c2o1	88075158	LNAFOINXMRVNPA-CQSZACIVSA-N	245.366	4.665	0	10	BJAE	
CC[C@@H](C)[C@H](CNC(C)(C)C)c1ccccc1C	93189154	KABRHGQTXKOSPI-CJNGLKHVSA-N	247.426	4.513	0	10	BJAE	
CCCCC[C@H](O)c1c(C)c(C)c(C)c(C)c1C	109784482	GORGHJZTFLYKDC-INIZCTEOSA-N	248.410	4.842	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H](C)C(C)(C)C)CC1	122612814	VETJSININZDGAA-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCCc1cccc([C@H](NCC)[C@H](C)C(C)C)c1	131700629	WHYRXENVLDAODN-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](CN)c1ccccc1	131842552	BJMRQVMWHNCMDI-RDJZCZTQSA-N	247.426	4.726	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccccc2)c2ccccc21	136951411	RVXGISHRUPBKLF-CXAGYDPISA-N	237.346	4.737	0	10	BJAE	
CCCCCC[C@H](NC)[C@H](CC)c1ccccc1	158461762	ROIVLDYHDQYUMN-SJORKVTESA-N	247.426	4.739	0	10	BJAE	
CCCc1ccc([C@H](N)CC2=CCCCC2)cc1	161227542	JAFAVTNCCXVOND-QGZVFWFLSA-N	243.394	4.529	0	10	BJAE	
CCCc1cccc([C@H](C)CCNC(C)(C)C)c1	166311949	UIUXBFVCBRCRSU-CQSZACIVSA-N	247.426	4.521	0	10	BJAE	
FC1(F)CCCCCCCCCCC1	196221443	WEIUPOVXYRWEHR-UHFFFAOYSA-N	204.304	4.926	0	10	BJAE	
C[C@@H]1[C@H](C)P(C2CCCCC2)[C@H](C)[C@@H]1C	201085566	VZYURRCPXXPWFV-VOIJVTEESA-N	226.344	4.864	0	10	BJAE	
CCCC(=O)[C@H]1CCC[C@@H](C(C)(C)C)CC1	211708845	VUNPUXYVVGZCFH-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC[C@@H]2C(C)C)c1	214442688	OYMAPUQVAMNBOB-HZPDHXFCSA-N	231.383	4.622	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C[C@@H](C)CCC	217627499	OPIREXOCSKDLTD-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@@H](CCC1CCCCC1)NC	229155127	SCPJABIUMYXDKW-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@H](C)c2ccco2)C1	230773731	PSZUDIQCLXZMBD-ILXRZTDVSA-N	249.398	4.535	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H](C)c2ccccc2)C1	230985056	KJJAYLHUHVCKSX-USXIJHARSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C(C)C)C2)cc1	230986391	AZOJHPVRRSQZBE-GDBMZVCRSA-N	231.383	4.622	0	10	BJAE	
CCCCCCc1cscc1Cl	238232706	NIBGZUSYBKSSRD-UHFFFAOYSA-N	202.750	4.524	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC[C@H](C)C(C)C)CC1	251271702	DBVUQQZLDVYTNX-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@@H](O)CCCC(C)C)c(Cl)c1	300214778	WDMAXFWPEZRJMG-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CCC1CCCCC1	300956623	PUAACYJNLDJIJL-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
C1CCCC(NCC(C2CCC2)C2CCC2)CC1	306094647	NDIRGIDUKMPTAX-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](CC1CCCCC1)NC	308064007	KFXGTIPNQHLCPP-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC(C)CNCCC(C)(C)CCC1CCCC1	310069939	TWLLUKDHQSEWDG-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C)c2ccccc2N1	310317177	VMPUOZXEWNCEDO-ZIAGYGMSSA-N	231.383	4.945	0	10	BJAE	
Cc1cccc(N[C@H](C)CCC(C)(C)C)c1C	310317486	XVNPQEMRTYCVDN-CYBMUJFWSA-N	233.399	4.930	0	10	BJAE	
CC[C@H](NCCCC(C)(C)C)c1ccc(C)cc1	313263217	LLVUGTRPYNHAKI-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC(C)(C)C)CC=CCC1	317229974	MHGCXQXXWJNGKF-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](Cn2ccc3cc(F)ccc32)C1	380984199	ZLSWWLULFLXQOV-CHWSQXEVSA-N	245.341	4.607	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1cccc(C2CCC2)c1	382500206	RJBYHTZWSKFRKS-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@@H]1CC[C@@H](C)C1	386596254	KDRGWTJNLRWWOY-CPUCHLNUSA-N	245.410	4.507	0	10	BJAE	
CCc1ccccc1NCCCCCC(C)C	394759803	LDJLFPLDFRPROC-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1ccccc1CCC	394988090	CXHRVLOECMQKAQ-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CCc1sc2cc(C(F)F)ccc2c1C	396194672	CVAHELCBNWJVAF-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
Cc1cccc(OCCC(C)(C)C2CC2)c1C	405979524	ZAWSBEALVGUEIS-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
Cc1cc(C(F)F)cc(C(F)F)c1Cl	575677666	UZZHKWQHEIKJEZ-UHFFFAOYSA-N	226.600	4.524	0	10	BJAE	
CCCCC[C@@](C)(O)c1cccc(C(C)C)c1	688930129	ZWCJVOFTFHTNPL-MRXNPFEDSA-N	234.383	4.598	0	10	BJAE	
CCc1cc(N[C@@H]2CCCC[C@@H]2CC)ccc1F	690101508	CCRFQZPQTSOAQM-BLLLJJGKSA-N	249.373	4.769	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cccc(C2CCC2)c1	690121668	NAPWJEFAKWXSFZ-CXAGYDPISA-N	243.394	4.945	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCCCC[C@H]1CC	691172155	XSLOIJWURYDFIK-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC1(C2CC2)CCC1	691187946	QTJZMJFZZKYYAQ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1c(Cl)cccc1CC1CC1	694972977	NMYRHMLZAJGIOR-UHFFFAOYSA-N	222.759	4.590	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCCC[C@@H]1C1CC1	696144611	NFLNYXJKDXACKC-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](NC)C(C)(CC)CC)C1	701131816	BVTGGYWOSPRBMJ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@H]1CC[C@H](CC)C1)C(C)(CC)CC	701133835	QVIOBBXLGMFPQL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](c1ccc(C)c(C)c1)[C@H](C)CC(C)(C)C	704728046	KBRGZFYUNQGHSN-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(N)C2CCCCC2)C1	704861304	NRRIZPUYKNQADQ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC([C@]2(N)CCCCC[C@H]2C)CC1	704928444	LZBZHEKPZQPAFQ-LMPOIIKSSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H]2CCCC[C@H]2C)c1	704954000	RBHJMCHZGWPFFX-UKRRQHHQSA-N	227.351	4.701	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCC[C@H]1CC=CCC1	706880301	KOOQJJPGYHJXAR-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@H]1CCCC12CC2	706971342	AGXACOMEGHBBMM-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)C[C@H]1CCC[C@@H](C)C1	708317381	XVGQYOVSPNTWIM-QPSCCSFWSA-N	239.447	4.602	0	10	BJAE	
CCCCCCN[C@H]1CCCCC[C@@H]1C(C)C	709215760	HDHNSGZOPPTUAD-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C[C@H](N)[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	711109382	CVAPWMVWICRVOX-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H](C1CCCC1)C1CCC1	711831080	IJCRMUBGQHZUMZ-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@@H](CC)c1ccccc1	713158418	FXXFJJNXTHTNAF-HOTGVXAUSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CC(C)(C)C)NCC	713173155	DKLQDUXCIXXENB-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC(C)(C)C)NCC	713216938	NQVTZPDWFYXNBM-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CC[C@](CNC(C)C)(CC(C)(C)C)C1	713306671	KLGAVDOXRAPDGX-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CN	713710132	MTNDHQLTIIYXTD-AEHDXWABSA-N	249.442	4.546	0	10	BJAE	
C=C/C=C\CC[C@@H](N)C1CC(C)(C)CC(C)(C)C1	713750746	YOQYFABIMAWJRD-ZPIQOJFGSA-N	249.442	4.689	0	10	BJAE	
C[C@H]1CC[C@H](C(C)(C)C2CC3(CCC3)C2)C(=O)C1	717634327	CUSCZMWWXPREKW-JSGCOSHPSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1OCCC(C)=C(C)C	718597068	XYVMCCIPNUQDCP-UHFFFAOYSA-N	232.367	4.764	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCCCCC1(C)C	719220789	SQZKBKHVAVMURD-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CNC2(CCCCC2)[C@H]1C1CCCCCC1	721028701	LZLLOUWYBYUNFT-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(OC(C)(C)C)c1Cl	829085606	DFYCYLRAJRJPKZ-UHFFFAOYSA-N	226.747	4.641	0	10	BJAE	
C[C@@H](NC[C@H]1CCC=CCCC1)C1CCCCC1	1474746586	YWPKGPZOPNKLNM-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CN1CC=CC12CCCCC2)CC(C)(C)C	1560236257	JIAADPIEDZFCMF-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
Cc1ccc(SC/C(Cl)=C/Cl)c(C)c1	1613279148	CIFGCYIYVOXXCQ-POHAHGRESA-N	247.190	4.715	0	10	BJAE	
CCCC1CCN(C[C@@H](C)CC(C)(C)C)CC1	1615740842	VCOWLOBFDLLQOA-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@H]1CCC(C)(C)C1	1658515405	BPPLNUCSRUIVQG-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@@](C)(N)[C@@H](C)CCC(C)C	1900597247	RPQMRUZVPJZCOW-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
CC(C)CCCCNCCC=Cc1ccccc1	1911989165	MKUVBNLEWLRBIL-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CC1CCC([C@@]2(N)CCC3(CCCCC3)C2)CC1	1915890871	CXTAPMJUQCVUKG-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@]1(CNC(C)(C)C)C=CCC1	1916357404	VEKURTIBSUULDT-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
Clc1cccc(N[C@@H]2CCC3(CCCC3)C2)c1	1916424421	UBSWMYUEVAJZMW-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@]1(N)CCC2(CCCC2)C1	1916439209	RRGJFXIDQOJIJC-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(CNC2CC2)C=CCCC1	1916614153	AJIATAWZJQVHDT-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CCC1CCCCC1	1919963978	ZZMJVIGJDPUOKA-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1CC(C(C)C)C1	1921105364	OJUWKNNVUKWESB-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CCCC1CC([C@H](O)CCC2CCCCC2)C1	1921180456	JMKDMPJLUGXLGM-UYSNPLJNSA-N	238.415	4.534	0	10	BJAE	
CCCC1CC(C(=O)C[C@H](C)c2ccccc2)C1	1921297495	JNPUSKMPXIIIQL-HLIUYOAVSA-N	244.378	4.576	0	10	BJAE	
CCCNC[C@@](C)(C[C@@H](C)CC)C1CCCC1	1924091931	JZIQEMDSRZRSSB-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]21	1925738705	XCKMCQUNOPFVPS-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)C1(C)CC(C)C1	1925809770	MNPLLNSVEFJQAG-JCCCHCCOSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@H]1C=CCCCC1	1925904565	XWOZNHIWVCMSFV-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
Cc1ccc(NCCCC2(C)CC2)cc1Cl	1935927445	BPBKARHJQCNQCO-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)C(C(C)C)C(C)C	1940247014	WPJWGFCKSPLMLO-CABCVRRESA-N	241.463	4.862	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)C(C(C)C)C(C)C	1941355277	KYXGJWPFMVGAGK-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CCCC(CCC)C(=O)CC(C1CC1)C1CC1	1944519616	GDPPUFCRUPHNEO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](Nc1ccccc1C1(C)CC1)C(C)(C)C	1944596696	QQMQZEISPQGYDJ-GFCCVEGCSA-N	231.383	4.585	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(O)[C@H](C)CC(C)C	1948334096	WRMOUPFWJNMJGV-LVQVYYBASA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1CC(C)(CC)C1	1948406620	CPBVBBKGGYWWLB-ILTLLKDXSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCCNC1CC2(CCCC2)C1	1948452014	DCAJFGRYIGVRNU-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C[C@H](N)[C@H]1CCC(C)(C)C1)C(C)(C)C	1949527833	CIYICFVZFIDMGY-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@]1(CO)CCCC(C)(C)CC1	1950909680	ZEIXBXYPPMJTCU-LZWOXQAQSA-N	240.431	4.638	0	10	BJAE	
C[C@@H]1c2ccccc2CN1CCC1CCCCC1	1963111209	NSEDJPUCVZEDRC-CQSZACIVSA-N	243.394	4.534	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NC1CC(CC)(CC)C1	1963174491	OESGBOVNJAJGRV-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCCCC23CCC3)C1	1966434626	PABJGXWFAJZSHO-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H](N[C@H](C)c1ccccc1)[C@@H]1CC1(C)C	1969255833	KUFAWCVJPGNJMZ-VNQPRFMTSA-N	245.410	4.552	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CC(C)(C)CC[C@@H]1C	1973164212	PKUHTJGRYWZHHL-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)[C@H]1CCCC[C@H]1CC	1976007168	DXYQTXZXAMXMNP-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@@H]1CCCCCCC[C@H]1N	1980352434	VAIWILHGXJOOPG-HUUCEWRRSA-N	225.420	4.645	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@H](C)CC(C)C	1990818748	XVIANUQOCHYTSU-HUUCEWRRSA-N	227.436	4.568	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC[C@H](C)C1=O	1993969381	MHNXYLBAJADHSM-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)Cc1csc(CCC(C)(C)C)n1	1995462155	TWOKQTFBSHGEAU-LLVKDONJSA-N	239.428	4.710	0	10	BJAE	
Cc1cc(-c2nc(CC3(C)CC3)cs2)cs1	1995465647	MPFQSRHEZFXFFJ-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
Cc1cc(C)c2c(C3CCCC3)coc2c1	1995498347	NQEZYSMPLVTMBF-UHFFFAOYSA-N	214.308	4.707	0	10	BJAE	
CCc1cccc(CC)c1N[C@H](C)[C@@H](C)CC	1995659683	YLHYZDXJUJJJRR-QWHCGFSZSA-N	233.399	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CCC2CCC2)CC1	1997104900	KZKXJVGRRUKEAG-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCCCc1ccc2c(c1)C(C)(C)CCN2	1997765855	KUVQVDFGSGZNSX-UHFFFAOYSA-N	231.383	4.513	0	10	BJAE	
CCCC(C)(C)CNC[C@H]1CCC=CCCC1	1999996926	TYVGOWKMQDPIHN-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@@H]1CCCC(C)(C)C1	2000040748	GSSHXWGXNVJARC-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCC1([C@H](NCC)[C@@H](C)[C@H](C)CC)CCC1	2000376191	KSRZMUXSBGSCGW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CN)[C@H]1CCCC[C@H]1CC	2000501718	HGIFLCZKJHCUGM-OWCLPIDISA-N	239.447	4.748	0	10	BJAE	
CCCC[C@](C)(CN)[C@@H]1CCC2(CCCC2)C1	2000501908	JALUMVVZHPMZKT-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CCCNC[C@](C)(CCC)C1CCC(C)CC1	2000518521	PFDYCILBEWWORM-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCCCCN(C(C)C)[C@@H]1CCCC(C)(C)C1	2000908324	WQYBKXALYNUQOX-OAHLLOKOSA-N	239.447	4.856	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(CN)CCCC(C)(C)C1	2002973007	BPDAURPXDGIWDA-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CCC2(CC2)C1	2003200621	YWBDSURSFAAWLR-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
O=C(CC[C@@H]1C=CCCC1)c1cccc(Cl)c1	2003671487	OVROASAPUQCVRC-GFCCVEGCSA-N	248.753	4.659	0	10	BJAE	
CCN[C@H](CCCCC(C)(C)C)c1ccco1	2003689241	ZKVFHDMMCIRADZ-CYBMUJFWSA-N	237.387	4.537	0	10	BJAE	
CCCC(CCC)[C@H]1NCC12CCCCCC2	2004724589	CJSTXKSWJXWUHM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@]1(CNCC)CCCCC1(C)C	2005587760	ZGRHUMAQNTUGPZ-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1C[C@H]1CCC=CCCC1	2006990136	YJLFTSIUVBAXPE-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCCC(=O)CC1CC(C2CCC2)C1	2007773618	XGRIVGDQRDIXKY-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H](C)CC(C)C	2007947727	TZZRXDDPZSJJCF-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(N[C@H]2CCCCC[C@H]2C)C1	2009711827	DRFPRTSHUFJFPT-LMPOIIKSSA-N	237.431	4.514	0	10	BJAE	
CC[C@@](CCC1CCC1)(CNC(C)C)C(C)C	2012426917	PTLIQJWVOZLZKQ-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC12CCC(CC1)CC2	2012825477	XWILJZMOVVBCCD-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(N)C1(C)CCCC1	2014341396	YVYDGUJSAWYOIE-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H](C)C(C)C)NCC	2015267851	BYNBEZZONUFUPS-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCNCCC(C(C)C)C(C)C	2015359268	CMHRGADUEPBNLT-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC(C(C)C)C(C)C	2015396289	CXGFMKWBJXARSV-HOCLYGCPSA-N	241.463	4.848	0	10	BJAE	
CC[C@@H](CC(=O)C[C@@H]1CC12CCC2)C(C)(C)C	2015515174	FBCLWDWMMMUGJG-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@]2(N)CC[C@H]2CC(C)C)CCC1	2015642361	PQHAECDLGPYSMN-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(N)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2016114447	HDJINCOFDBRKOM-QXSJWSMHSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@H](CC1(C(C)(C)C)CCC1)NCC	2017138481	KGXSKHQBQRNBDC-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(C[C@@](C)(O)[C@@H](C)CC)CC1	2017651377	SNPZOKQMDWWDFE-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2017699016	COWSAHFQFIMBIF-ORIJERBGSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC[C@H](C)C1CCC1)C(C)(C)C	2019848559	FDXVPAXATUBKNZ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1Nc1ccccc1Cl	2021076017	LHIYMCFBVUOIBJ-MJVIPROJSA-N	249.785	4.577	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1Nc1ccc(Cl)cc1	2021076387	MPPGWNNYKGKUQT-COPLHBTASA-N	249.785	4.577	0	10	BJAE	
CCC[C@](C)(O)C[C@H]1C[C@@H]1C1CCCCCC1	2022455357	VRJXSFNFZRJZKF-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@](N)(CCC)C1CCCC1	2022562345	HRMDQOZTNUMLDK-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@@H]1CC[C@@H](C)C1	2026169481	IQWZVHBSWKPYPE-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H]1C[C@@H]1CC(C)C	2027028425	IRPCVOJKMILIFV-ULQDDVLXSA-N	249.442	4.559	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@@H]1CC=CCC1	2027517511	HTZUYOOJCMKSQF-PBHICJAKSA-N	243.394	4.556	0	10	BJAE	
CCC1CCC([C@](C)(F)c2ccc(N)cc2)CC1	2027936489	PSQNEDSKBONLHG-ZUEPYMLJSA-N	249.373	4.670	0	10	BJAE	
CCC[C@](N)(c1ccccc1C1CC1)C(C)(C)C	2028556088	ZPWOJHKGCSFSBE-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@@]12CCCC[C@@H]1C2	2028629864	XARQGDZKFLUDLK-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)[C@H]1CC12CCC2	2032131694	KVWJCODEAWBUEE-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)c1	2034264607	RFAVFXQNXBIYHX-BHYGNILZSA-N	243.394	4.684	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](CC)c1ccccc1	2035398780	AOUXRGYEZDPCMP-DJIMGWMZSA-N	245.410	4.696	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@@H]3CC[C@H]32)CCCC1	2035884817	CDWWYPJOECGRKA-USXIJHARSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@H]2CCC3(CC3)C2)C1	2038571603	KXVZYWHIYDCTDF-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N)(CC1=CCCC1)C2	2038895082	LKZKMWAWEMQCIB-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1	2039847922	FBTRRMUGQUHKIH-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N(C)C1CCCCCC1)C12CCC(CC1)C2	2039858066	XCSSEYIFGOLRDL-UQPPLGOBSA-N	249.442	4.610	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@@H]2CC[C@@H](C)C2)cc1	2040173510	URUPDDOYOXVHHA-CPUCHLNUSA-N	246.394	4.670	0	10	BJAE	
CC[C@](N)(CC1[C@H]2CCCC[C@H]12)C1CCCCC1	2040678562	UZQVBWGVUVWKSZ-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C1CCC(C)CC1)[C@@]1(C)CC=CCC1	2042023805	FQCVRXPNOMLSLY-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@@]1(CNC(C)(C)C)CC=CCC1	2042093781	KMARJPUJAMKPKB-QGZVFWFLSA-N	247.426	4.623	0	10	BJAE	
CCC1(C[C@H](O)c2ccccc2C2CC2)CCC1	2042243984	YMLIZNXOQDVAJI-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H]1CCCC2(CC2)C1	2043190424	JECRWRCGXMFGFM-ZBFHGGJFSA-N	247.426	4.578	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CCCC2)C1CC(C)(C)C1	2043536397	ZQFALPISDAGZKY-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC([C@@](C)(N)C[C@@H]2CCC=CCCC2)C1	2045304885	JWWAZEJBPZGPQM-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](N2CC=CCC23CCCC3)C1	2045521516	VOLTXOZMDIHMTL-OAHLLOKOSA-N	247.426	4.530	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1CC(C)=C[C@H](C)C1	2045684948	PATKXGHQNICZFZ-RRQGHBQHSA-N	249.442	4.703	0	10	BJAE	
CCCCC[C@@H](NC)c1c(C)oc2ccccc12	2045737064	AZJAWFRKISEKJE-CQSZACIVSA-N	245.366	4.582	0	10	BJAE	
CCC1(CC)CCCN1C[C@H]1CC12CCCCC2	2047031771	ZZLJLJZJCGMJIP-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)([C@H]2[C@H]3CCCC[C@H]32)CC1	2049218975	IGXVGTMYERKBRG-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2	2049639532	GBMHUSNCQUZGFG-JONQDZQNSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2051400153	IVZXCZWMSMLFRD-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1cc(C)cc(F)c1	2051406137	UZCMHROUJONXCB-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCC1(CC)CCC(N)([C@H]2[C@H]3CCCC[C@H]32)CC1	2051592412	ARUZQJAJNCSZBT-QDMKHBRRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1N[C@@H]1CCCC[C@@H]1C(C)(C)C	2055562215	CTLHOSPBYLBQIN-FXUDXRNXSA-N	249.442	4.536	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@H]1C=CCC[C@H]1C	2055570925	DUIZLCDFXZTGFS-QZWWFDLISA-N	249.442	4.536	0	10	BJAE	
CN[C@H](C=C1CCCCC1)C1CCC(C)(C)CC1	2056876811	ULTMCLAKSZBKBB-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C=C1CCCC1)C1CCCCCCC1	2056879931	XQWNPQPFXUVICW-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CC[C@]23CCC[C@@H]2C3)C1	2061604584	AIQHNQGBKFTRER-HNLJFRNMSA-N	248.410	4.598	0	10	BJAE	
c1cc(CC2CC(=C3CCC3)C2)c2cc[nH]c2c1	2061682230	IWFPQJNBGPCFCB-UHFFFAOYSA-N	237.346	4.601	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](CC2CC(=C3CCC3)C2)C1	2063713969	CFUXAGGRYDZQCT-CYBMUJFWSA-N	246.394	4.662	0	10	BJAE	
C1CCCC(NCCC23CCC(CC2)CC3)CC1	2065261556	YVYXJOUYIFMNCC-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC1(NCC23CCC(CC2)CC3)CCCCC1	2065313367	SDWGYCZVYXFHQE-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(C)c(OC)c1	2065989751	HCEOAJSRITWNOL-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@@H]1CCC1(C)C	2068234487	WXGJGTYGJBSISK-JKSUJKDBSA-N	245.410	4.507	0	10	BJAE	
N[C@H](C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCCCC1	2068781171	QTWYZUSNUXAVBI-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2CC[C@@H]3C[C@@H]23)CC1	2070998009	DQHGJAPJWSKIJV-ILZRDFNYSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@H](N)C2CC3(CCCC3)C2)CCC1	2071945546	HTCCJAUAYNUYCH-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@]12CCCC[C@@H]1C2)C1CCCCC1	2074028027	FAWVTAWHTSLFHC-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CN)(C[C@]23CCCC[C@@H]2C3)CC1	2074031408	YQPRONPNHISOFV-MNAZLIDISA-N	249.442	4.502	0	10	BJAE	
CCCCCc1ccc([C@H](N)C2CCCCC2)o1	2077986854	ODLDUTLSIXHFFM-MRXNPFEDSA-N	249.398	4.592	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@H]1C1CCC1)C1CCCC1	2079328614	MULPSJYXCSVJJW-HIFRSBDPSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(OC[C@H]2C[C@H]2C2CCCC2)cc1C	2079803204	MEBRZIWJJPEEKC-WBVHZDCISA-N	244.378	4.509	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1C[C@@H]1C1CCCC1	2079831041	HTASBPDSHLTBNO-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)[C@@H]1CC12CCCCC2	2079841499	JEIQCBBHWARYNA-MJBXVCDLSA-N	248.410	4.598	0	10	BJAE	
CCCC1CC(C(=O)C[C@H]2C[C@@H]2C2CCCC2)C1	2079852284	PRWBUVBCIFLJCB-IGDQZBHYSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)CC2CCCCC2)c1	2082942776	UZQPOOJDCXBZPG-KRWDZBQOSA-N	246.394	4.616	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@H]2CCCC23CC3)C1	2082979735	PXQZOQWIEVRIEL-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCCCC1CC1	2211122811	XMJFVHXFBQZJGB-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CCC)c1sc(C)c(C)c1C	2211699549	AXENGNDDATZFSA-CYBMUJFWSA-N	239.428	4.514	0	10	BJAE	
CC(C)N[C@@H](C)[C@H](C)CCCCCCC1CC1	2213576440	PTVKBJKBZXZSLG-CABCVRRESA-N	239.447	4.760	0	10	BJAE	
Cc1ccccc1CC/C=C/c1ccccc1	2213825582	VTZGIIGOZIZJNG-WUXMJOGZSA-N	222.331	4.641	0	10	BJAE	
Cc1sc(C(=O)C[C@H]2C=CCCC2)c(C)c1C	2215538327	KIIJKVQVQKCDNZ-ZDUSSCGKSA-N	248.391	4.602	0	10	BJAE	
CC[C@H](C)C[C@]1(CN[C@H](C)CC)C=CCCC1	2217123946	CLWXRSWQGBMILE-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CNC1CCC1)C[C@@H](C)C(C)(C)C	2217132664	ZWQQXXFLFMWHOJ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@]1(CNC2CCC2)CC1(C)C	2217137156	JYQPUJZNJZOMGD-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(=O)c1cccc(C(C)C)c1OC	2218080783	GLKFCKLCNHFRIR-UHFFFAOYSA-N	248.366	4.582	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN([C@H]2CCCC[C@H]2C)C1	2218144864	WCTFSNZGUQSNAU-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
COCC1(CC/C=C/c2ccccc2)CCCC1	2219075442	CKNWQCAEIAYLLB-VZUCSPMQSA-N	244.378	4.687	0	10	BJAE	
N[C@@H](CCCCC1CC1)c1ccccc1C1CC1	2220030983	QTGQCNNOXFNGDU-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
C[C@H](Cn1ccc2cccc(F)c21)CC(C)(C)C	2220309434	QAVXUULUDAFUHF-LBPRGKRZSA-N	247.357	4.853	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](O)c1ccccc1C(C)C	2220858368	DUYHANZACPPLRX-JKIFEVAISA-N	246.394	4.670	0	10	BJAE	
CC1(NCCCC2CCCCC2)CC2(CCC2)C1	2220973463	DONBSTAHWZLPAA-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)C2(CC3CCC3)CC2)C1	2221024509	BWZGMYCMCJMSJV-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1(C)CC2(CCC2)C1)[C@H]1CC[C@H](N)CC1	2221031493	HDEGQHIDDIDTDZ-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCNC[C@]1([C@@H]2CCCC[C@H]2C)CC=C(C)CC1	2221654482	OSKVMARAIIKCON-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
N[C@H](C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCCC1	2222978410	OYCWRIAUWGZREC-YALNPMBYSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1ccc(C2CCC2)cc1	2223683318	HPMPDMLTLBTVEO-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)[C@H](C)c1ccc(C)cc1	2223962868	AXPHFVDYYJQDAA-BFYDXBDKSA-N	247.426	4.513	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)[C@H](C)c1ccccc1	2224163859	IJGCJYVMQYGTCG-INMHGKMJSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)[C@H](C)c1ccccc1	2224163865	ILUAMCVWURNBTM-BFYDXBDKSA-N	248.410	4.758	0	10	BJAE	
O=C(c1cccc2ccoc12)C1CCCCCC1	2224193058	GBNVOGLIQFGBDJ-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCCCC(=O)CCCCCC[C@@H]1C[C@@H]1C	2243883015	BFKLITDJMJMJLI-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)C(C)(C)C	2244835387	DIHUGLMWJTWOHF-KBPBESRZSA-N	227.436	4.602	0	10	BJAE	
CCC[C@@](N)(CC)CC[C@@H]1CCCCC12CC2	2246623769	PDPJGVGJZPAWOM-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC[C@@H](O)CC[C@@H]1CCCCC12CC2	2246626238	IYAPXQUNTYBEMS-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
Cc1cn(CC[C@@H]2CCC[C@@H](C)C2)c(C)c1C	2246690743	BLIFFZDAFSHPRL-WBMJQRKESA-N	233.399	4.630	0	10	BJAE	
CCC[C@](O)(CC)c1cc(C)c2sccc2c1	2248582487	RAILAGNORYUKNH-OAHLLOKOSA-N	248.391	4.607	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@H]1CCCCC[C@@H]1O	2248819048	HKDHXKUCSBVBHN-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C(C)(C)C1CC1	2248838275	HRFSVJHCRQAXLY-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCc1coc2cc(OC(C)(C)C)ccc12	2249327120	HHECAQUNTAEYRJ-UHFFFAOYSA-N	232.323	4.563	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1NCCC[C@@H]1C	2250477045	SQJISGLSSNZRSC-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC1CC(C)(CC(=O)[C@@]23CCCC[C@H]2CCC3)C1	2253762198	DOGYKNYRRODTKE-UMAGBFNSSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC[C@H](C)C1)C1CC=CC1	2254018797	FIJDIBWELXIKFM-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H]1CCC(C)(C)CC[C@H]1CC1=CCCCC1	2255093235	XZNQHEPCBHAIAE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@@H]1CC1=CCCCC1	2255137196	NDMXFCJHSCGIQV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCc1ccccc1NCC[C@H]1CCCC12CC2	2255287992	NRRVDIZZIUVOKA-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)CC1=CCCCC1	2257254504	YJIWLRQKIQPTHN-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
N[C@H]1C[C@H]2CC[C@H]1C[C@H]2CCCCCCC1CC1	2257310992	KGXMSUHBTWROIZ-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1CCC2(CC2)C1	2257317103	VRUOSJLRDREVFP-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1(c2cccc(NC3CCC=CCC3)c2)CC1	2257937157	OJYYNFGHQNTAGX-UHFFFAOYSA-N	241.378	4.649	0	10	BJAE	
CN(C[C@@H]1CCC=CCCC1)C1CCC=CCC1	2257960295	WVYSMAZRPUDWGC-MRXNPFEDSA-N	247.426	4.554	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H]3CCCC[C@H]32)cc(C)c1C	2258233444	NSHQWXOQGPRQRS-DJIMGWMZSA-N	243.394	4.602	0	10	BJAE	
CCC[C@@H](CC)[C@@H](C=Cc1ccccc1)NCC	2259436485	GWMUTQMICPRUTD-IAGOWNOFSA-N	245.410	4.504	0	10	BJAE	
CCC1CCC(CN)(C[C@@]23CCC[C@H]2CC3)CC1	2260673870	TWVLLZXTDDFPMX-XGHPGWEVSA-N	249.442	4.502	0	10	BJAE	
CCC1CCC(N)(C[C@@]23CCCC[C@H]2CC3)CC1	2260680144	VYMHLCZPMYDEHR-YZUHTNEWSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](C)[C@H](N)CC=C(C)CCCC(C)C	2300873879	DWMUJHSQNCKIOY-JKSUJKDBSA-N	239.447	4.913	0	10	BJAE	
CC(=CC=C[C@H](CN)C(C)C)CCCC(C)C	2300903889	JHPWMOROPVJIFX-MRXNPFEDSA-N	237.431	4.546	0	10	BJAE	
CC(C)c1ccccc1O[C@H](C)[C@H](C)C(C)C	2301840021	LGFMFYCFZTUJSV-ZIAGYGMSSA-N	234.383	4.869	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H](C)CCC(C)C)CC1	2303468685	CQTOHBPCYTYKML-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1CCCC(C)(C)C1	2307754867	FSQKIOGVUKQEKM-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CCCC1CC1)NCC	2307834510	JPIWAHGETKDXLI-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](C)[C@@H](N)c1ccccc1	2307900467	GDDILXXRVQNAIX-OFQRWUPVSA-N	233.399	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1C[C@H](C)C[C@@H](C)C1	2307926711	QDVJNFCXCRSGSR-HGTKMLMNSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H]1C(C)=CCC[C@@H]1C	2307926813	RGAAHMJBIIQVOY-JONQDZQNSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)CC[C@](C)(O)CCc1ccccc1	2316248158	LYDUYJNQCDKDEJ-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1CC(CC2CC2)C1	2316538065	UQDINDLALJIDHL-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@]12CCCC[C@H]1CCC2	2316542110	MVLSNXXWRCZABH-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@@H](C)[C@H](C)C(C)C	2317824269	OZVPBKNEIYLAJG-JKIFEVAISA-N	247.426	4.738	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C[C@@H]1C=CCC1	2317903965	JVMFCZABVQJLHC-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
C1=C(CCCN[C@H]2CCCC3(CC3)C2)CCCC1	2318522661	VASDAYBSUXSPRJ-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
C1=C(CCCNC2CCCCCCC2)CCCC1	2318531467	LEIWRMQTENAOGX-UHFFFAOYSA-N	249.442	4.970	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)C[C@@H]2CCC[C@@H]2C1	2318547211	ZPICMJHVYBGOLY-FVQHAEBGSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(C)(C)CN1CCCC1=CCCCC1	2318575614	HCUIVWKLDUEFDI-OAHLLOKOSA-N	249.442	4.778	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@@H]1CCC=CCCC1	2318886232	USKYVFHLCMZBSU-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2CCCC3(CC3)C2)C1	2319121231	LDVQUISMZVZVSB-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2CCCC23CCC3)C1	2319123699	ZPTDZCMFHNALPD-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(CC(=O)CC[C@@H]2CC[C@@H]2C2CC2)C1	2319691040	WYYPNAYMDVOXOG-KWVKFQHESA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@@H]1C=CCCCC1	2320155882	FOVYWYYVCZOYOA-RBSFLKMASA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2ccc(F)cc2C)CC1	2320411187	IDZXQYMJYPSADJ-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2C[C@H]2C(C)C)c1F	2327778329	OAMMWLWBZQLBRI-OCCSQVGLSA-N	249.373	4.653	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H](C)c1ccc(C)cc1	2328270208	XELUQPIFNDTARS-VYDXJSESSA-N	247.426	4.642	0	10	BJAE	
C[C@@H]1CCCCCCCCCCCC(=O)C1	14984417	VPQWBNWSLZYYFH-CQSZACIVSA-N	224.388	4.886	0	10	BJAE	biogenic
CCCCCC[C@@H](C)Nc1cc(F)ccc1C	20520093	HAOHVRPPMSXINW-CYBMUJFWSA-N	237.362	4.905	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1ccc(C(C)C)cc1	36819970	BGYFOYMSAPYTHZ-XJKSGUPXSA-N	233.399	4.507	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)cc1Cl)C1(C)CC1	36984257	IWPFQCOIBOUYET-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
CC(C)c1ccc(NCC2CC2)c(C(C)C)c1	36995328	XEGRTDWEQYSFAK-UHFFFAOYSA-N	231.383	4.755	0	10	BJAE	
CCCC[C@@H](C)Nc1ccccc1CCC	37282298	UDHQRZFERMLUJM-CYBMUJFWSA-N	219.372	4.630	0	10	BJAE	
CC(C)c1ccc(-c2ccccc2Cl)cc1N	41296788	WLHMJWAVCIRVTA-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CC(=O)c1cc(C)c(-c2cc(C)ccc2C)s1	42732153	JBOQSSWEGPWCME-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
Fc1cc(-c2ccccc2)ccc1C(F)(F)F	60179111	FXIJHKFGZVXINP-UHFFFAOYSA-N	240.199	4.512	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)Cc1ccccc1	70941651	OLXHESIWZQELPK-CVEARBPZSA-N	247.426	4.566	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccc3ccccc3c2)[C@@H]1C	86078866	QNRFIHJIJCXVOQ-PBFPGSCMSA-N	239.362	4.686	0	10	BJAE	
CC1(C)CCC[C@@H](NCCC2=CCCCC2)CC1	86894184	CEBGJQTYHKJWCR-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC1CCC(C(=O)c2cc(C)cc(C)c2)CC1	87934055	KFELUKNAKCDTIV-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCCCC[C@@H](CNC(C)(C)C)c1ccccc1	88099022	YFOKYXSAHUTJOO-INIZCTEOSA-N	247.426	4.739	0	10	BJAE	
CC(C)CCC[C@H](C)NC[C@@H]1CCC[C@H](C)C1	89605053	AQYGZJSJNAIMNV-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
O[C@@H](CC1CC1)c1ccc(C2CCCCC2)cc1	109788410	GCLPOZAMUYCSNN-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)C2CCCCC2)cc1	109901812	GKSUPJKUOBQNAY-LSDHHAIUSA-N	245.410	4.614	0	10	BJAE	
CCCCC[C@@H](C)Nc1nccc2sccc12	110382628	LPEWHXNIBQORCM-LLVKDONJSA-N	248.395	4.677	0	10	BJAE	
CC(C)(C)c1cccc(OCc2ccccc2)c1	113065513	PTJXNVSDFPEFRJ-UHFFFAOYSA-N	240.346	4.563	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@@H](C)C(C)C	124760295	RDLCGVUVMZPBKQ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H](CC)CCCC	124786151	POCUILQTXAIWQT-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H](C)c1ccc(OC2CCCCC2)cc1	140121557	WSEMJVYSUSFVHT-CYBMUJFWSA-N	232.367	4.912	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@@H]1C(CC)CC	155814403	XIHLEDQOQDWCNN-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccccc1C(C)C	163742380	YALGQVFRCKQEOW-ZFWWWQNUSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@@H]1CCC[C@@H](CC)C1	227002161	XYJVHHJNUIZHPM-FMKPAKJESA-N	249.398	4.537	0	10	BJAE	
Cc1cc(-c2cccc(C3CCC3)c2)ccc1N	229615325	HYOSTBGCNQFLFC-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCCN[C@H](C=C(C)C)c1c(C)cc(C)cc1C	229745302	FZPIXJVTVQJFLT-MRXNPFEDSA-N	245.410	4.619	0	10	BJAE	
CCC(CC)(CC)NC[C@H]1CC(C)=C[C@H](C)C1	232878002	GQKIQMYIXDJUGY-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(O[C@@H]2CC[C@H](C)[C@H](C)C2)c1C	300086809	IKKONQJYZMVCGU-NJZAAPMLSA-N	232.367	4.507	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@H]1NCCCC(C)(C)C	302303549	NJZBYMVMYOCZFQ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@@H](C)CC(C)C	302593700	UUNZPKQRGZMXSR-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@@H](O)CCCC(C)(C)C)C1	305900933	BIZMUJLOFLQHDZ-CFVMTHIKSA-N	238.415	4.556	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CCCC(C)(C)C)c1	305905399	FAVZXNHKLHIMQY-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)C[C@H](C)CC(C)C)C1	306013296	XDHHCMAFAWMGHR-LVQVYYBASA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(C(F)F)c2sc(Cl)cc12	306940434	PHMXZSNSTGHVBA-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CCC1=CCCCC1	308079927	YXDAFCRKWCNLLB-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)c1ccccc1Cl	309627417	JLCYSVPQSOEDBJ-UHFFFAOYSA-N	238.758	4.595	0	10	BJAE	
CCC1CCC([C@@H](N)CC2(C)CCCC2)CC1	310157397	OVEABBNMBKIGKS-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC[C@H](C)C1)C[C@H](C)CC	310188550	YDNQAZAFXRCSMF-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H]1C[C@H](C)c2ccccc2N1	310344607	DVXYEFWZJGELDR-UONOGXRCSA-N	231.383	4.801	0	10	BJAE	
CCC[C@@H](Nc1ccc2ccccc2c1)C1CC1	310731832	WURSZSFJWKBSNZ-QGZVFWFLSA-N	239.362	4.830	0	10	BJAE	
CC[C@H]1CC[C@](CCC(C)C)(CNC(C)C)C1	318004166	YUSOBGZXKQWZIP-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC12CCCC2)[C@@H]1C[C@H]1C	322157224	JIWCQMDGFCHOJB-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N[C@H](C)CC2CCC2)cc1C	383117001	AHLLFFBBFISLOA-CYBMUJFWSA-N	231.383	4.548	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)C(C)(C)C(C)(C)C	383879561	RHJNIHPGKTWNSC-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)c1ccc(NCC2(SC)CC2)cc1	384045719	QYLDIRODIQWQLD-GFCCVEGCSA-N	249.423	4.508	0	10	BJAE	
CC(C)Oc1ccc(N[C@H](C)CC(C)(C)C)cc1	384798274	SFLXSADXSQWXJI-CYBMUJFWSA-N	249.398	4.710	0	10	BJAE	
N[C@H](CCC1=CCCCC1)CCC1CCCCC1	385924575	TZOCEYDSFCDFBS-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC(C)CCC[C@H](N)c1ccc2sccc2c1	386190942	BSPCAWITDDFIEY-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CCC[C@H](C)CC1	391178397	OTBIMSVQRIFDPB-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC1(CN[C@@H]2CCC[C@@H](C)CC2)CCC1	391826312	XFFGFNVEZWAGSF-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)[C@H](C)NC[C@H]1CCC[C@@H](CC)C1	394566781	MOQSMRGYAWEXRM-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CSc1c(C(F)F)c(F)cc2sccc12	396245530	OGQUHFRMGPNOTB-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1ccc2sc(S)cc2c1C(F)F	396246719	PXNOMDDFZXRWFG-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CCCC2)[C@@H]1CC1(C)C	397666922	PGBGCCANTGMCLP-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCCN[C@H]1CCCC[C@@H]1C(C)(C)C	397743358	LXLXTJHYOGEROC-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC1CCC1)C1(C)CCCCC1	398638181	UXWOBFRUVPYBJI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC1CCC1)NCCC	398647946	AIYMETGXSHSLKK-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1cc(C)cc(F)c1	401851810	VEWPUNOPQVPVHE-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)CC(C)(C)C1CC1	405763856	IEMYCULAHHGDKP-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(O)CCCC1CC1	406024008	INJDSVDNAUFKOY-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC[C@H]2C)cc1C	691076825	YAHCXNPBWDRAKR-CJNGLKHVSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCC(C)(C)C(C)C	691096692	CDMGUGUUFVAMOA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCCCC[C@@H]1C	691097845	BZNFPQIUNIRXHK-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@@]12CCCC[C@@H]1C2	693182703	MOKMAPCERCFGGU-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CCCCC12CCCC2	704472350	FZENRBSTZXWDTF-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC1CCC(C[C@@H](N)[C@H](C)CC(C)(C)C)CC1	708314497	LMCPCEKZDROSKH-HXSCFSKGSA-N	239.447	4.602	0	10	BJAE	
Cc1ccccc1[C@H](CO)C[C@@H](C)CC(C)(C)C	709107395	YLFSJDIMGVGSER-HIFRSBDPSA-N	248.410	4.533	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H](C)CC(C)C	709209591	FODYEDIKOWQWFU-KBPBESRZSA-N	226.404	4.844	0	10	BJAE	
CC(C)NC[C@@H](C[C@H](C)C(C)(C)C)C(C)(C)C	711174566	PELZPFNOSKDVIL-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](CC(=O)[C@H](C)CC(C)C)C(C)(C)C	711180862	SMGYWONSNPJRSF-CHWSQXEVSA-N	226.404	4.700	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@H]1CCCC2(CC2)C1	713105513	GFAOFQQJPMVTHY-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@H](CNCC(C)C)CC(C)C	713268516	QAYNUCPKMQBWSZ-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@H](C)CC(C)C	713684136	MRKSKJGUPJGUMP-USQNJUIBSA-N	237.431	4.559	0	10	BJAE	
CCCCCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714424564	OYHBVIVHDDOJGI-RRFJBIMHSA-N	236.399	4.742	0	10	BJAE	
CC/C=C/C[C@@H](C)c1ccc(C)cc1C	714521907	LNAWFJVVILLXDZ-KTRBRXNASA-N	202.341	4.763	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccc(C2CC2)s1	716544971	OAQGBQIESKYXQE-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H]1CCC(C)(C)CC1=O	717533899	PQKHDGUNCBNGOH-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC(C)=C(C)C)NCC	718605266	YRTRWBSIBQONMM-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CC(C)=C(C)CCC(=O)Cc1cc(C)ccc1C	718738307	FJZDJQXJPIGQTO-UHFFFAOYSA-N	244.378	4.552	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)(C)C)C1(C)CCC1	720706795	GJVKBFSFFYWWFU-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C(C)(CC)CC	721683162	FVQVPLMDZSXXSO-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
C1=C(CCN2CCC[C@H]2C2CCCC2)CCCC1	1190464675	GHVNHENSFJOPAS-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
Nc1cccc(-c2cccc(C3CCCC3)c2)c1	1244984273	GTXYJMKVZJZOQX-UHFFFAOYSA-N	237.346	4.593	0	10	BJAE	
CCC1(CC)CCC(N[C@H](C)CC(C)C)CC1	1461366946	DSZZYTFOXCLHIO-CQSZACIVSA-N	239.447	4.760	0	10	BJAE	
CCCCCN(C)Cc1csc2ccccc12	1652274754	FIQLDZKJBOHAFC-UHFFFAOYSA-N	247.407	4.523	0	10	BJAE	
CC(C)=CCc1c(Cl)cccc1Cl	1884168168	OGEQLEJZNQTXAG-UHFFFAOYSA-N	215.123	4.502	0	10	BJAE	
CCC(C)=CCCc1ccc(Cl)cc1	1887882639	OGGSACKEQNZOPT-UHFFFAOYSA-N	208.732	4.629	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Oc1ccc(Cl)cc1F	1901619239	RXEXDZOQJBXSDH-VHSXEESVSA-N	244.737	4.539	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)C1(Cl)CCCC1	1901850407	QYUFQGLYAULYQM-ZDUSSCGKSA-N	246.822	4.505	0	10	BJAE	
CC(C)C(c1nc([C@@H]2C[C@H]2C)cs1)C(C)C	1905256567	HBSZYBLUNVBYHU-GHMZBOCLSA-N	237.412	4.662	0	10	BJAE	
CCC[C@H](CC)CC(=O)CC1=CCCCC1	1905304428	LMBSLTXNCKKVSV-ZDUSSCGKSA-N	222.372	4.662	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1ccccc1Cl	1905393486	VISCXWLRDXZXGG-RISCZKNCSA-N	240.774	4.590	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(CCC)CNCC	1905432258	BFHYJGKYXRSRQA-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CCC[C@H](CC)CCC[C@@H](NCC)C(C)C	1905443374	HPNYIGGPCOGZOM-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
O=C1CCCCC[C@@H]1CCC=Cc1ccccc1	1912008186	NYYXWXLBERSXOT-MRXNPFEDSA-N	242.362	4.629	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@]2(N)CCC3(CCCC3)C2)C[C@H]1C	1916438909	QORCDJWNBYWIFZ-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H]1CCC[C@@H](CC)C1	1920183368	UBBKCSBZLZEMDG-PMPSAXMXSA-N	239.447	4.891	0	10	BJAE	
CC(C)C[C@@](N)(CCC(C)(C)C)c1ccccc1	1920485204	WPNFWKWZOXJSHR-KRWDZBQOSA-N	247.426	4.713	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C1CC(CCC)C1	1921259833	QXISFIIYSKDFDP-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@H](O)[C@H](C)C2CCCCC2)CCC1	1923904806	NXBZNFFILZHGFO-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)[C@H](C)C1CCCCC1)C1CCC1	1924131928	WJEAPSJEIWVMQD-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CC1CC(C)C1	1925154428	ZDMITKSCGZZIIE-ROKHWSDSSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC1(C)CCCCC1	1935620677	OKVMQXRUERCFLP-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CCN[C@@H](C)C(C(C)C)C(C)C	1940247181	XXRAVBSXSOPKKM-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](CCC(F)(F)F)Nc1cccc(C)c1	1940761378	IAVHVHHJCXZLKL-NSHDSACASA-N	245.288	4.528	0	10	BJAE	
CCCCCC[C@@H](C)NCCC[C@@H]1CC1(C)C	1940874809	GGERAZRXQLAKQI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](O)(CCCC1(C)CC1)[C@H]1CC1(C)C	1940881131	LDCLMBNNPPECKT-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CCCC2CCC2)C1	1941466029	WDRXLWBUYDUQTM-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(NCCCCCC2CC2)c(F)c1	1941577362	OLZYKRSCJAXENB-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
C[C@H](CC(=O)C1(C)CC(C)(C)C1)CC(C)(C)C	1941982000	MLZYAFJXYMJXHF-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CCC)NC1CC(C2CCC2)C1	1942155380	YRTQOZRVDUQUGZ-PCKAHOCUSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CCC(C)C)C1CC1	1942663726	UWTFEBCCOIMAES-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)C1CCCCCCC1	1942665672	ZSWJYXRWMPMQAK-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](NCCC)C(C)(C)C1CCCC1	1944641881	NJKREPAZCKIXPV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@@H]1CCC[C@H]1C	1944849524	NBWPBIQCKUHDLR-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC(C)C)c1cccc2sccc12	1945969186	DTUAQQMVJDDZDK-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)CC(C)(C)F	1947083786	LGIUEUGIIDRQKP-CYBMUJFWSA-N	245.426	4.709	0	10	BJAE	
CCCC[C@@H](C)N[C@@H]1CCCCCCC1(F)F	1947297726	LCQSPOCOMMMXKF-CHWSQXEVSA-N	247.373	4.513	0	10	BJAE	
CCC[C@H]1CCc2sc(-c3ccccc3)nc21	1947440767	SXAQATFGJRZXKP-NSHDSACASA-N	243.375	4.640	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C1CC(C)(CC)C1	1948407624	RIKIBPDTCYMOID-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1O[C@@H]1CCC(C)(C)C1	1949502672	XHSDAMWQGQXTSW-CQSZACIVSA-N	232.367	4.597	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C[C@H](C)C(C)C	1949864022	IQSMVIQUAGHBHQ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C1(N)CC2(CCC(C)(C)CC2)C1	1950500710	FJBLCLFIZYUNKL-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CC12CCCCC2	1950604436	KIUBBMHRNRHZCZ-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC=CC[C@@H](C)c1ccc(OC)c(C(C)C)c1	1951308155	AQAGPBYEFCTXAS-CYBMUJFWSA-N	232.367	4.888	0	10	BJAE	
FC1(F)CCC[C@H](C[C@@H]2C=CCCC2)C1	1959889006	JWEQRCTZUZTKHY-VXGBXAGGSA-N	214.299	4.558	0	10	BJAE	
CC1(CCN2CCCC3(CCCCC3)CC2)CC1	1962977004	DRISRDHKWHQNID-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CC1(C)CC[C@@H](COc2cccc(Cl)c2)C1	1962980005	HZVHBRAIRLNEMK-LLVKDONJSA-N	238.758	4.545	0	10	BJAE	
CC[C@H](CNC1CCC(C)(CC)CC1)C(C)C	1963167400	MRUIAQZOGZJNCH-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)CN[C@H](C)c1ccccc1C	1968414737	XXNNGFHCWAYPSP-OAHLLOKOSA-N	247.426	4.862	0	10	BJAE	
CCCC1CCC(CN(C)CC(C)(C)C)CC1	1968928022	SSBLVEWZRFVFNA-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC1CCC(CN(CC)C[C@@H](C)CC)CC1	1971367748	CHMOROJLBICDNR-FHERZECASA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1CC[C@@H](NC2CC3(CCCCC3)C2)C[C@H]1C	1972429698	GOBMGWRMXDKLJI-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cc(C(F)F)cs1	1977082123	YAHOWPWXDXWBFU-SECBINFHSA-N	248.338	4.545	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CCCC(C)C	1978533983	KWOWXOCULWXGNB-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCCC(C)(C)NCC1CCCCCC1	1987101596	JAIDZKUHRWYCOZ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@](O)(CC)CC1(C(C)(C)C)CCC1	1989443095	VSRRYDYTTCCJMJ-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H](C)CC(C)C	1990090007	UIUASZLRZIFTTC-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1CCCC[C@H]1C	1990094874	XZSVQBNMNXCLLN-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCCCCN(C(C)C)[C@H](C)CCC(C)C	1990894300	WHNBDGVRKDBXHH-OAHLLOKOSA-N	227.436	4.712	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CC(C)(C)C)NC	1995263028	QEALIMIOHCHOHH-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](c2nc(C3CCC3)cs2)C1	1995468622	ZPSSSTLMJWNIAV-PWSUYJOCSA-N	235.396	4.704	0	10	BJAE	
CCC(C)(CC)CN[C@@H](C)C1(C)CCCCC1	1995984791	CZPODIPBMLOPIU-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)C1CCC(C)CC1	1996615402	HRHDNQIOZUAEMI-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCCCCNC[C@@H]1CCC[C@H](CC)CC1	1997101246	XTLYIQHJWSPJTN-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)C[C@H](N)[C@@H]1CCC[C@@H](CC)CC1	1997109114	NESOYEQRZZNUCO-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@H](N(C)C2CCCCCC2)CC1	1997205197	LLBBKFHIABZHEK-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H]1CCC[C@@H](C)CC1	1997209328	VYTCFEHRUNSFCJ-GDBMZVCRSA-N	237.431	4.633	0	10	BJAE	
CC1(C)CC(N)(CCCC2CCC2)CC1(C)C	1997776227	LUTBWBIWRWABBC-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@H](C)[C@H](C)CC	1998031955	JLNQZCKJDHHWCG-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)C1CC(C)(C)C1	1998649791	KKCJEWCBMVIMIK-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CNCCCC[C@@H]1CCC=CCCC1	1999992397	GREPIPXGAZBXSD-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCCC2(C)CC2)C1	2000188183	BJZRAPPJPHHHPY-JSGCOSHPSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)(CC)[C@H](CC1CC(C)(C)C1)NC	2000335257	XOYOZNWKOHLDIL-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1ccco1)C(CC)(CC)CC	2000390305	MELDZYTUAVVCTM-CQSZACIVSA-N	237.387	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(CCCC)C(=O)O	2000485412	XIJFXGQEMMUEQL-DZGCQCFKSA-N	242.403	4.874	0	10	BJAE	
CCC[C@@](C)(CNCC)CC1CCC=CCC1	2000517565	FOQBQZNAGGRHNL-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@]1(C)CCCCC1(F)F	2002582086	JGFPCRRTNXTHFI-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)C1(C)CCC(C)CC1	2007695784	WMXTZMIXIXLBFM-FYRZTWFESA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)C(CC)(CC)CC	2007940380	QTEJVOYOAYLPCP-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@H](C)CC[C@@H]1N	2009419086	HOQMSWQPAALPHT-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CC=CCCC[C@H]1CCCC[C@@H]1CNC(C)C	2009617493	SSDLOBJAHSAOTR-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@](C)(O)CC1=CC[C@@H](C(C)(C)C)CC1	2010714781	RSUOCTCKYNWTDN-GDBMZVCRSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)[C@H](O)C1=CC[C@@H](C(C)(C)C)CC1	2010718262	AOPASAGFMAABMO-CABCVRRESA-N	238.415	4.556	0	10	BJAE	
C[C@H](C[C@@H]1C[C@H](O)CC(C)(C)C1)CC(C)(C)C	2012065205	VYASKNAJZOMOTE-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](O)C1CCC2(CCCCCC2)CC1	2013204960	PNBZXXAFUAYQPX-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCCC(=O)O[C@@](C)(CC)CCC=C(C)C	2014036896	XEASFTXZJPSDOQ-HNNXBMFYSA-N	240.387	4.635	0	10	BJAE	
Cc1cc(F)cc(N[C@@H](C)C2(C)CCCC2)c1	2014340866	TZPIUSBPGQYQFF-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CC(C)[C@@H](C)C[C@]1(CO)CCCC(C)(C)CC1	2015284911	RPUXXOQRCMBVSE-HOCLYGCPSA-N	240.431	4.638	0	10	BJAE	
CCCC1(COc2ccccc2CC)CCC1	2015596859	WJEOXJRCXNLFDC-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCCC2(C)C)CCC1	2015643033	XPYQHDBRVXAQPN-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@@H]1C[C@@H]1CC	2016853345	ZFKJCFQRJILVKP-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC1(CCC(=O)CC2(C(C)(C)C)CCC2)CC1	2017127853	UMKRNOMQWCLKMJ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCC1(C(C)C)CCC1	2017131465	QBSMNGIARAOJFV-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](Cn2c(C)ccc2C)CC1	2017662241	IPSZGLFXHIKKHS-WKILWMFISA-N	233.399	4.711	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)[C@H]1CCCC(C)(C)C1	2017787306	HJJQWWUPKQBFMZ-KBPBESRZSA-N	239.447	4.712	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCC(F)(F)CCC1=O	2018849853	KXLKRNZXBCBWAG-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN(C)[C@H](C)CC(C)(C)C)C1	2019161365	NAWPJIYCYHIKEH-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
CCCN(C[C@@H](C)C1CCCCC1)C(C)(C)C	2019232530	MNOCKPMYOCCIII-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCc1ccc(N(C)[C@@H](C)CCC(C)C)cc1	2019406845	LPNRLFXLWJWYHQ-AWEZNQCLSA-N	233.399	4.510	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC[C@H](C)C(F)F	2026065692	WVKAAHDHPPYKBI-RYUDHWBXSA-N	248.357	4.843	0	10	BJAE	
Cc1ccc([C@H](C)NCCCC2(C)CC2)c(C)c1	2027808493	TVFADGJLNRXOQC-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc([C@@H](O)CCC[C@H]2CC2(C)C)c(C)c1	2027842658	JYHQLRVIILKYAX-HOCLYGCPSA-N	246.394	4.553	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)[C@@H]1CC12CCC2	2032133778	FMLDPLKTYLMUEY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)c1cccc2ccccc12	2032268605	KXDMFFBVFUQWPH-MRXNPFEDSA-N	242.362	4.555	0	10	BJAE	
CCNCC(=C[C@@H]1CCC[C@@H]1C)C1CCCCC1	2032672975	RMRJVCLNYDGXRG-HOCLYGCPSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)CC2CC3(CC3)C2)C1(C)C	2036751072	VDQCWRGNPGVNCD-MLGOLLRUSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@H](N)[C@@H](c1ccccc1)C(C)C	2037093709	OKWFLIPSWQOPGT-DLBZAZTESA-N	247.426	4.580	0	10	BJAE	
C[C@](N)(CCC1=CCCCC1)[C@@]12CCCC[C@@H]1C2	2037174827	PHTXEBFHEHFCFI-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
CC(C)c1ccccc1NC1C[C@H]2CCC[C@@H]2C1	2038624409	ZVQOKSAYUGQJNP-ZIAGYGMSSA-N	243.394	4.801	0	10	BJAE	
C[C@H](CC1CC1)NC1CC2(CCC(C)(C)CC2)C1	2038932349	CHCKFJOXETVXCK-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNC2CC2)CC12CCCCC2	2039004499	AKHMYETZVHMNKU-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1ccc(C)cc1C	2039446296	GDFVYMXQELIZRM-GOEBONIOSA-N	243.394	4.708	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@H]1CC=CCC1	2042015770	DAUNFAHDUBFWOP-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@]1(C)CC=CCC1	2042023797	FOCBIWNSQCIKEZ-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCc1cc(C)cc(CC)c1NCC1CC(C)C1	2043241585	WEJZQRSAHQMNPH-UHFFFAOYSA-N	245.410	4.578	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CCC[C@@H]2C)cc1C	2045560312	MEZTWVWPLWYAJV-NHYWBVRUSA-N	244.378	4.621	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC12CCCC2)C1(CC)CC1	2047024257	SPTXOXVAHJZHRL-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2CC23CCCC3)CC1	2047057295	ZVKVIGIQATXJFR-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@H]1CC12CCCCC2	2047063899	ZXSWMHFKODZVDG-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCCN[C@H]1CCCCC12CCCCC2	2047587373	RGOKIMCGQXIYQH-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
Cc1ccccc1[C@H](O)CCC1(C)CCCCC1	2050427772	CKYOJXJQUPGUPB-MRXNPFEDSA-N	246.394	4.779	0	10	BJAE	
CCN[C@@H](CCC1(C)CCC1)c1cccc(C)c1	2050460651	LEYXJBMMVHPRTN-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@H](C)c1ccccc1	2051403427	LMJLBDSENRGBLZ-RDJZCZTQSA-N	245.410	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CCCC3(CCCC3)CC2)C1	2051605982	GPOIERYUWKZHSS-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C1(C2CCC2)CC1	2051902893	QDSDDPACUWMFRA-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@H]3CC[C@@H]32)cc1C	2052287390	YMKSEHZARZCYMX-BHYGNILZSA-N	243.394	4.548	0	10	BJAE	
CC[C@@H](N[C@@H]1C=CCCC1(C)C)C1CCCCC1	2055527061	MQHWVHPPRFOPBB-HZPDHXFCSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H](C)c2ccccc2C)CCC1	2055538291	AUKOOXJQAOOPGA-WBVHZDCISA-N	243.394	4.535	0	10	BJAE	
CCCN[C@@H](CC=C1CCCCC1)c1ccco1	2056868884	VSIYJJFQVCULPT-HNNXBMFYSA-N	247.382	4.601	0	10	BJAE	
N[C@@H](C=C1CCCCC1)[C@H]1CCCCC12CCC2	2056879189	QTXVJZLPPAMQKX-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CC[C@]23CCCC(C)(C)C3)C1	2058156178	PANXJXLAAMABCA-INMHGKMJSA-N	249.442	4.610	0	10	BJAE	
CC=CCCCNC1CCC2(CCCCC2)CC1	2059224024	VHOZRBBXCYQDLQ-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@@H]1NCc2cc(C(C)C)ccc2[C@H]1C	2059469357	IVLBRKGWURYVEK-DYVFJYSZSA-N	245.410	4.576	0	10	BJAE	
CCC[C@]1(C2=CC[C@@H](CC)CC2)CCCCCN1	2061097580	CSEKPRNFOXGLAY-NVXWUHKLSA-N	249.442	4.825	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)CC[C@]12CCC[C@@H]1C2	2061603145	RMDWVBMGKBFNTJ-PXAZEXFGSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)CC1CC(=C2CC2)C1	2061696586	RONYNWVXILUTAZ-HZPDHXFCSA-N	246.394	4.518	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1CC(=C2CCC2)C1	2061730521	JAANALQXCFMROD-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CC=CCCC[C@H](NCC)C1C[C@@H]2CCC[C@H]2C1	2063520378	NIZYZXOKVDEMJB-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCC1([C@@H](CC23CCC(CC2)CC3)NC)CCC1	2065308621	SDVMQFRYQQICOK-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC[C@@H](C3CC3)C2)CCC1	2069343362	YXXIWOFJNQFGPF-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CCCCCc1ccc(SC(C)C)cc1	2069543900	CQKTVWCVBGKPRI-UHFFFAOYSA-N	222.397	4.920	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C[C@@]23CCC[C@H]2C3)C1	2070927791	WAJJHIMOYNBVKR-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
CCc1occ(C)c1C(=O)CC1(C(C)C)CCC1	2071916018	VBSPCFRMIOXWON-UHFFFAOYSA-N	248.366	4.550	0	10	BJAE	
CCN[C@@H](CC1(C(C)C)CCC1)[C@H]1C=CCCC1	2071938428	NKCKSOLSPZYCPK-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@H](C)c1ccccc1)C(C)=C(C)C	2072424838	LLZISFKDYFIENX-YOEHRIQHSA-N	245.410	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(O)c2ccccc2)CC1	2072669342	MNZNPFHPPFIJIF-ZOBUZTSGSA-N	246.394	4.501	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC=CC[C@@H]2C)CC1	2072805306	AVEQAHFUMNHPHH-ZGRYLRDCSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CC[C@]23CC[C@H](C)CC3)C1	2074893269	SOKFMERGAHJUDR-NCOADZHNSA-N	249.442	4.610	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2C[C@H]3CC[C@H](C3)C2)c1	2077264999	HAGMKLIDVYWJQO-NHAGDIPZSA-N	241.378	4.555	0	10	BJAE	
O=C(C1CCCCCC1)[C@@H]1C[C@H]1C1CCCCC1	2079493298	WSSFUODEOQWWRT-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(NC[C@H]2C[C@H]2C2CCCC2)c(C)c1	2079641174	OXMRZNBNSSVLJZ-CVEARBPZSA-N	243.394	4.542	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C12CCC(CC1)C2(C)C	2079840332	BNEJQRDXOUHILW-GXZXJKLZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)[C@H]2CCC23CCC3)C1	2082983754	VJATVNFZHNCHTM-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@H]1CC(C)(C)CCC1=O)c1ccccc1	2083037859	DDOFAPRFXMSMMY-DZGCQCFKSA-N	244.378	4.576	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H]2CCCNC23CCCCC3)C1	2083812471	OWHHSHMLYJYHHL-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](CC)(CN[C@@H](C)CC)C(C)C	2212577035	SGFIMQDDLTYDQP-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCC(=O)CC[C@H]1C[C@H]2CCC[C@H](C2)C1	2213303976	SAEGENMCURGBEW-QDMKHBRRSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)CCCCCCC1CC1	2213579703	VJVMXAKDHLYEPV-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
FC1(F)CC[C@@H](CC/C=C/c2ccccc2)C1	2213824205	CMFRPKGWAZHUOX-YOIVXCQUSA-N	236.305	4.915	0	10	BJAE	
CC(C)CC[C@](C)(O)CC1(C)CC2(CCC2)C1	2215465895	LYSQHVZQXOQJEW-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCCN[C@H]1CCC[C@@H](C(C)(C)C)C1	2216252457	KFNLNBOJMOTLTG-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]([C@H]1CCC[C@@H]1C)C(C)(C)CCC	2216279864	QDDFXTTYNSSPMR-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNC1CCC1)[C@H](C)CC	2217124658	JHJIBFRQSVDGGJ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CNC1CCC1)[C@H](C)CCC(C)C	2217129366	KJPVMMFAENLEOX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@H]1CCC(C)(C)C1	2217142401	PZUZVUSDZIADDY-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CCCC(C)C)N2	2217467930	KKDDSXGVDSLSDE-OAHLLOKOSA-N	231.383	4.548	0	10	BJAE	
C1CCCC(CN[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218333264	QDFPTGMQZHBPNQ-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C2C[C@H]3CCC[C@H](C2)C3)C1	2218341855	XBRCRZWKLSJNFL-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC=Cc1ccccc1	2219077500	DAXJGYNNTFVHNY-KRWDZBQOSA-N	245.410	4.634	0	10	BJAE	
Fc1cccc2ccn(C[C@H]3C=CCCCC3)c12	2220307975	SALPTKCYTOKLMH-ZDUSSCGKSA-N	243.325	4.527	0	10	BJAE	
CC1(C[C@@H](N)CC(C)(C)C2CC2)CC2(CCC2)C1	2221014960	UQMRHZJTBIBQRP-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(C(=O)CC2(C)CC(C)(C)C2)c1	2221088367	NKOBUXCEZMVSQS-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@]1(C)CC=C(C)CC1	2221614227	UUAAVZGQRBFCPR-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
C1CCN[C@H](C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	2222933293	KVUQIXQROLROKW-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CCC1CC(N)(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2222970147	AXIYIFDXIYHKNV-ILZRDFNYSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@@H]1[C@H]2CCC[C@H]21	2223110239	NGSWJVMQODDJJR-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
Cc1ccoc1[C@H](N)CCCCCCCC1CC1	2223113480	OKGWVEVHMPAETK-OAHLLOKOSA-N	249.398	4.729	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC2CCC2)CC=CC[C@H]1C	2223538437	AZNOYJFZOUSAFH-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1ccc2occc2c1	2224160056	XQEVBZMQNPXHOU-CQSZACIVSA-N	245.366	4.649	0	10	BJAE	
CCCCC[C@H](N)CC[C@@H]1CCC[C@H](C)C1	2242816194	MZSZRLCNEMRSHE-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCCC(=O)C(C)(C)C	2243920717	FXSDXZIBBYNGJU-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(C)(C)CCN	2244839041	XSKNLWBDZNPUJB-AWEZNQCLSA-N	227.436	4.604	0	10	BJAE	
CC[C@](O)(CC1CC2(CCCC2)C1)C(C)(C)C	2246789336	BAKWEBVURVUICR-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)C(=O)CC1CC2(CCCC2)C1	2246791992	XJYGIQNHJVYVBZ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1([C@@H](O)C[C@H]2CCC2(C)C)CCCCCC1	2247422293	LHJWFDNIGMYLOK-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1CCCCC[C@@H]1N	2248817446	VXWWSXRBSKPLIG-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C(F)F)[C@H](C)CC	2250070426	WIOKILDUPAXYHL-AGIUHOORSA-N	249.389	4.615	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1CCC2(CC1)CC2	2250363345	ZVOGKXVMNBZDFT-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)C1CC(C)C1	2250469108	LEBAOROTEWFEAK-WLYUNCDWSA-N	238.415	4.844	0	10	BJAE	
CC1=CCC[C@@]1(N)CC[C@@H](C)CCCC(C)C	2250482651	VJSXITVCBLHOKR-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](CC[C@@]12CCCC[C@H]1CC2)NC	2251174174	DSDOXVRKRJGAMZ-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CC3(CCCC3)C2)[C@H]1N	2254120822	RRLCSAAZJBLLEH-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1NCCCC[C@@H]1C[C@@H]1C	2254541716	BERVGLFANFPMBA-GOEBONIOSA-N	245.410	4.877	0	10	BJAE	
CC1(C)CC[C@H]1C[C@H]1CCCNC12CCCCC2	2254967078	DKQTWFJTHKVPST-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@H]1CCC12CCC2	2254975527	KKRQDRGFNNACAS-HNNXBMFYSA-N	239.362	4.530	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)CC2=CCCCC2)[C@H](N)C1	2255135889	DQSJPSOTZPLMGI-FVQBIDKESA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNC12CCC(CC1)CC2	2257314278	YKXFELZJYZJEMP-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1CCC2(CC1)C[C@@H]2N	2257339873	LUQDLRFDLRUURJ-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC[C@@]12CCC[C@H]1CC2)CC1CCCCC1	2260611775	WFJVPWYATQXWEK-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCCN(C[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2260615242	DNFSLONVGQGXRF-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@]23CCCC[C@@H]2CC3)C1	2260656354	FUPITFSFZXUYQL-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](C)CCNc1ccnc(C(C)(C)C)c1	2260752457	MYACGDCNLRCSOI-CYBMUJFWSA-N	248.414	4.617	0	10	BJAE	
Cc1ccc(C(=O)C2CC(CC(C)(C)C)C2)cc1	2261185790	OSKVUSQVISBGFS-UHFFFAOYSA-N	244.378	4.640	0	10	BJAE	
CC(=CCN[C@H](C)C1(C)CC1)CCCC(C)C	2300867690	PBZBZVBSFSIDEK-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](O)CCC1=CCCCC1	2301936590	XFOFZQCSVGARPJ-OFQRWUPVSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCCc1ccc2c(c1)CC(C)(C)C2	2302224954	NSPZAILBWURYTJ-UHFFFAOYSA-N	230.395	4.790	0	10	BJAE	
CC[C@H](C)CN(CC)CCCC1=CCCCC1	2302351028	CSSTUHIPPYLJIE-HNNXBMFYSA-N	237.431	4.635	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CCCCC1CC1	2302571557	LQNDTYOPAKFLSM-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@H]1C=CCCCC1	2302613057	MDAQPBWQIBPORZ-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(O)CCC(C)(C)C2)C1	2304359474	MEMUHKAFMLVQJX-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](CCCC2(N)CCCCC2)C1	2304432056	QVZWHKSVAXLDIL-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CC[C@@H]1CCC(C)(C)C1	2304436865	UKKZUHKRRPVZFS-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1(CC2CC2)CCC1	2307820440	YLRDIHLPFWNLEI-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CCC[C@H](CC)C1	2307838077	MXXDTAKGXWODFB-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C[C@@H]2CC[C@H]1C2)C1CCCC1	2312872281	YQIUHYVPMIIJTG-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312958387	QGFGDCQVRWVOHL-OTJKEOIZSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312959781	KIHHMBMDDWIAJP-CLPSQLOGSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(C(=O)C(CC)(CC)CC)ccc1C	2314697187	MBUVVAHWSQBCHT-UHFFFAOYSA-N	246.394	4.957	0	10	BJAE	
CCC(CC)CC[C@H](N)c1coc2ccccc12	2316248760	RYHHZVHDLHQBAB-HNNXBMFYSA-N	245.366	4.649	0	10	BJAE	
CC=CC[C@H](NCCC)c1c(C)cc(C)cc1C	2316511386	ZPQDJUCPEYZMCF-INIZCTEOSA-N	245.410	4.619	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1	2316511774	WMGPBWZVMCCFIY-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC1CCC(N)(C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316868830	BHTXKSPULGIQRV-LHJGCZIBSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCCC2=CCCCC2)C1	2318584041	WEHLGWABBGISEF-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CN[C@H]1CCCCC[C@@H]1CCCC1=CCCCC1	2318596792	DGKJNCJESMPUTN-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
C[C@]1(CC[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCCN1	2318947648	WSAVPNCIVXVURP-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@@H](N)C[C@@H]2CCC(C)(C)C2)c1C	2319024124	LEGLKXWELYNQQS-HOCLYGCPSA-N	245.410	4.520	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@H]2CCC(C)(C)C2)C1	2319129259	PCKBTPKROBZSSL-CFVMTHIKSA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CCC[C@H](C)CC2)CC1	2320267346	DQMDGYOMXRBJSF-XKQJLSEDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H](C)c1ccc(C)cc1	2328270207	XELUQPIFNDTARS-HLLBOEOZSA-N	247.426	4.642	0	10	BJAE	
Clc1ccc2oc3ccccc3c2c1Cl	5935066	QVAPRJWSOUITIF-UHFFFAOYSA-N	237.085	4.893	0	10	BJAE	
Cc1cc(C)cc(NC2[C@@H](C)CCC[C@H]2C)c1	19989093	IDLDUSJRHKAZOQ-MZBDJJRSSA-N	231.383	4.540	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccccc2C)cc1C	21051022	NFRSEYUHQVDMSO-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
Cc1ccc(C)c(NC2[C@@H](C)CCC[C@@H]2C)c1	21505985	GIBAQQHKWVTRNE-KBPBESRZSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(Cl)cc1C	37217151	GMVSEPOUCORQFA-LLVKDONJSA-N	225.763	4.639	0	10	BJAE	
CCC[C@H](C)CNc1c(C)ccc(Cl)c1C	83367714	ZCKSDYYUJLXWNT-JTQLQIEISA-N	239.790	4.805	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)c2ccc(C(C)(C)C)cc2)C1	87985182	PDIRUUFGBMHPGC-TZMCWYRMSA-N	244.378	4.603	0	10	BJAE	
C[C@H]1CCC[C@@H](CNC2CCCCCCC2)C1	89586752	SFPBBLWCJOXVBT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](O)[C@H](C)C(C)C)cc1	90484907	JZZJHFPOHMVEME-CZUORRHYSA-N	248.410	4.700	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC2(C)C)cc1C	94274046	QSDYURSJCWLDNR-OAHLLOKOSA-N	231.383	4.684	0	10	BJAE	
CCCN[C@H]1CC[C@@H](CC)C[C@@H]1CCC(C)C	109663299	VCLPWVJABDFWEA-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC(=O)C1CCC(C(C)C)CC1	148032905	BYJSGTGMWPLIDH-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCCCCc1c(C)[nH]c2ccccc12	149045230	XTSIBGDKLFSXNJ-UHFFFAOYSA-N	215.340	4.599	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC1(C)C)C1CCCCCC1	150028445	UCKZUCQLVQCBTJ-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H](CC)c1ccccc1	158461896	ROIVLDYHDQYUMN-IAGOWNOFSA-N	247.426	4.739	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](O)(C2CCCCCC2)C1	167599417	XHOZGSBOHBOJKK-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(=O)c1ccc2c(c1)[C@H](C(C)C)CCC2(C)C	202737864	FDTIHBWDKKMIGJ-AWEZNQCLSA-N	244.378	4.700	0	10	BJAE	
CC(C)c1ccc2c(c1)S[C@H](C(C)(C)C)CN2	214912661	QXGZHHRFPSFWIU-AWEZNQCLSA-N	249.423	4.742	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCCC[C@@H]1C(C)C	224961882	DBOAQYFHKJWAFJ-UKRRQHHQSA-N	249.373	4.761	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCC[C@@H](CC)C1	226933685	FCFCUEBGGZYYHG-BZUAXINKSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)CC1CCC1	229739199	BTSSCIJEFAKDQA-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)c1c[nH]c2c(Cl)cccc12	232829912	MZEGQBXYFXKXLR-UHFFFAOYSA-N	221.731	4.509	0	10	BJAE	
CCC1CCC([C@H](O)C2(C)CCCCC2)CC1	232932812	XHAZUHDXSBRAEI-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)c2c(C)cccc2C)C1	234092667	LJSDXFKESOJJJY-ZMSDIMECSA-N	245.410	4.520	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCCCC1	250890538	XLTJNZZIAQDLAL-BPUTZDHNSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccc(C(C)C)cc1	302273336	ARVDZNWMHVJBSG-BBRMVZONSA-N	234.383	4.670	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2CCC1CCCCC1	302300444	ZNCIQBPUWANBFK-HNNXBMFYSA-N	243.394	4.946	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)c1ccc(CC)cc1	302388279	NNGUKBAGKKUBCV-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)CCC1CCCCC1	305895490	GDCUGIKLPLQIOR-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCc1csc2c(Cl)cc(SC)cc12	307429650	JHILSYJPEADMCB-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)c1ccc(C)cc1C	307990982	JBXLKMXAWLOXLN-NVXWUHKLSA-N	248.410	4.799	0	10	BJAE	
Clc1ccccc1N[C@@H]1CCc2ccsc21	309580502	QDAMOJNUUKBZKH-GFCCVEGCSA-N	249.766	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccccc1C(C)C	310463464	WJJPMNYWTRBOJF-XJKSGUPXSA-N	234.383	4.670	0	10	BJAE	
CC(C)[C@@H](C)CNc1ccc(C(C)(C)C)cc1	310528383	YOMKJYLNFAZZMV-ZDUSSCGKSA-N	233.399	4.688	0	10	BJAE	
Fc1cccc2c1ccn2[C@H]1C=CCCCCC1	310659932	UDGBBJWECUDVJW-ZDUSSCGKSA-N	243.325	4.842	0	10	BJAE	
CC(C)[C@@H](C)/C=C(\CNC1CC1)C1CCCCC1	381307889	LEKBQBORGDCNBG-LUYJPIOASA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@H](C)[C@@H](C)CCCCCC(C)C	383125409	CESQTEKKRTYTBT-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](N)CCC1=CCCCC1	385863508	HUMYMQWYQKANEV-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
Cc1cccc([C@@H](N)C[C@H](C)C2CCCCC2)c1	386210126	MSLPXKRQGSYIES-YOEHRIQHSA-N	245.410	4.601	0	10	BJAE	
CCCC1CCC(Nc2cscc2C)CC1	387366644	VSSWCIULRKQLHU-UHFFFAOYSA-N	237.412	4.827	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)CCCC12CCCC2	392833146	HCQGLMSFTICFRH-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C1CCCC(C[C@H]2NCC23CCCCCC3)CC1	394571892	MGXMPGUGKCHQRU-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNCCCCC(C)C)C1	394580073	UYLMVVNBAWJBMB-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H](C)c1ccccc1	395166833	PHNBJYKYTICYHB-CQSZACIVSA-N	246.394	4.966	0	10	BJAE	
CCC[C@@](O)(C[C@@H](C)c1ccccc1)C(C)(C)C	395342082	CEGWINRIAYWWGK-RHSMWYFYSA-N	248.410	4.758	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	395414477	JGDRHUCGDHCQAD-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CCc1cccc2c(C(F)F)c(C)sc12	396217300	IPAGTSFWBPIJAS-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CSc1cc(F)cc2c(C(F)F)csc12	396240978	LICRZPAIDYQCIT-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1cc2c(F)cc(C(F)(F)F)cc2s1	396299447	JBMNVUOIXOZRPH-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCC[C@H](N[C@H](C)C[C@@H](C)CC)[C@H]1CC1(C)C	397643685	ZBEHOBMYJRBSNE-YJNKXOJESA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H](C)C1CCC1	398936690	UARQOSXOIIMWIK-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCNC/C(=C/[C@@H]1CCCC[C@@H]1CC)CC	401748736	MQNUTDBDVJCIPL-OPYKRYAKSA-N	237.431	4.539	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CC=CCC2)CCC[C@H]1C	402205569	KQKATZKBQXDZQH-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC(C)NC[C@@H]1CCCC[C@H]1C[C@@H]1CC=CCC1	402371156	SKZIMVHANHVHGH-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2CC[C@H]3C[C@@H]3C2)C1	403619017	KLWJUFBJDHNZBT-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc2nc(Cl)c(Cl)cc2c1	527418070	ZHGSFBNDAZCNLH-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CCCC1(CN[C@]2(C)CCCC[C@@H]2C)CCC1	687280079	ZVEGZOAMRSRUIL-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H]2CCCC[C@@H]2C)c1	688897182	AJXUVKKNHFOBBG-JQFCIGGWSA-N	246.394	4.670	0	10	BJAE	
c1cc(NCCC2CCCC2)cc(C2CCC2)c1	690149544	CHQZDRIAYNACFE-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1cc(C)cc(F)c1	691137141	JUWOLSHDBAPXNU-CZUORRHYSA-N	249.373	4.905	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)[C@H]1CC[C@H](CC)CC1	692071531	NLWKLYLDAUSOKA-XIRDDKMYSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@H]1CCC12CCCC2)C1CCCCC1	694332029	QYEKMMGZQIFRNX-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H]1CCCC2(CC2)C1	695937461	NDZJVHQAHBQJFC-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CCC(C)(C)CC1	696747468	GXZGYDSWOHWGIA-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)CC[C@@H](C)[C@@H](NC)c1ccccc1	696801160	DZESVQGTHDAHNO-GDBMZVCRSA-N	247.426	4.800	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](CCC(C)(C)CC)NC)C1	696802560	MEHGAARZHSZTCS-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1CCCCC1	697759773	UJHFYFHPTYKXFT-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C(C)(CC)CC)CC1	701046578	DDUSOLJDELLAQW-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)C1CCC(C)(C)CC1	701131873	DPISRTIIEWYFRU-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)(C)C)C(C)(C)CC	701132612	RBAOLAYNOUMVKH-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCc1cccc2ccn(CCCC3CCC3)c12	701514389	ZNEMTYOYAQRRDO-UHFFFAOYSA-N	241.378	4.784	0	10	BJAE	
CCC[C@@H](NC[C@@]1(C)CC1(C)C)c1ccccc1	701987472	RBDCSLKVSYRAQF-NVXWUHKLSA-N	245.410	4.554	0	10	BJAE	
CC(C)C(N)(C[C@H](C)C1CCCCC1)C(C)C	704836870	VEASXNFFDOXAJJ-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@@H]1CCCC[C@H]1C	704854697	NVOXJZWNMWYARX-OIISXLGYSA-N	246.394	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](N)(CC)CCC	704868213	RKFUXNXDDBMYBN-ZIAGYGMSSA-N	213.409	4.501	0	10	BJAE	
CCC[C@](N)(CC1(C)CCCC1)C1CCCC1	704956752	KWVJXTWWNHLSPH-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@]1(C)CC1(C)C	705305929	KNYFLAXFEGEGOI-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CCCC12CC2	706256114	CTUOUUZCNJOCAP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)c1ccccc1C1CCC1	708271255	VBNOMCZTBVOCMJ-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CCN[C@H](C)[C@@H](C[C@H](C)CC(C)(C)C)C(C)C	709105753	MZGNKJLDWTXSST-ZNMIVQPWSA-N	241.463	4.719	0	10	BJAE	
CC(C)CNC[C@H](C)CC[C@@H](C)CC(C)(C)C	709184880	HJXVHIPKVZXTPD-HUUCEWRRSA-N	241.463	4.721	0	10	BJAE	
CCOc1ccccc1NC[C@@H](C)CC(C)(C)C	709213632	NJZNMMYTZCEMNJ-ZDUSSCGKSA-N	249.398	4.570	0	10	BJAE	
CCCc1ccc(-c2cccc(N)c2Cl)cc1	709233008	VPQGLDKFBPHTNG-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
CC[C@H](C[C@@H](O)C1=CCCCCC1)C(C)(C)C	711212612	VKVBATCJKLAVRK-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCC[C@H]1CC=CCC1	719188472	JEAHPBFOSAMTAV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCNC(C(C)(CC)CC)C(C)(CC)CC	721698320	AFLCEYCPBGXQCR-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCCC2(CC2)C1	723600905	AEIPHIXNZKPTNB-GFCCVEGCSA-N	249.785	4.783	0	10	BJAE	
Oc1ccc(Cl)cc1-c1ccccc1C1CC1	1245055955	YJCQBMSFMAGKEA-UHFFFAOYSA-N	244.721	4.590	0	10	BJAE	
CCC[C@@H](C)N(C)[C@@H](C)c1ccc(Cl)cc1	1257323559	AEZIAPJPODTOHC-NEPJUHHUSA-N	239.790	4.521	0	10	BJAE	
C=C/C=C/CCN1CCC[C@@H]1CC1CCCCC1	1459400999	SQOLUEJDVIVCAQ-REMYHPOOSA-N	247.426	4.554	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1NCC(C)(C)C1=CCCC1	1462307934	BSHHJYVGQDDKMV-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC(=CC1CCCCCCC1)CNC(C)(C)C	1879302745	BCLPZBMVTZYVFQ-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
C1=CCC(CC[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	1901145315	RHYXSQHWJOVTLS-HRCADAONSA-N	218.384	4.949	0	10	BJAE	
Cc1c(N)ccc(C2CCC(C)CC2)c1Cl	1901172904	FSTUEJUOLCKIGL-UHFFFAOYSA-N	237.774	4.524	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1c(F)cccc1Cl	1901627226	SJHONGMBQRIGCX-ZJUUUORDSA-N	243.753	4.572	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)c1ccc(C)s1	1905442469	DHOBDZOYTQJHSI-QWHCGFSZSA-N	239.428	4.533	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)CC1CCCCC1	1908584380	TYOLZMWSRIBWOL-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C(=O)CCC[C@@H]2C[C@@H]2C)CC1	1908591213	FOFGHERJOQWZLC-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)CC1(C(C)(C)C)CCC1	1910142951	KBRUDWCSVDGQFE-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)c1ccc(C)cc1	1911809076	UZWLMDKJPGGMAP-QGZVFWFLSA-N	243.394	4.558	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1N[C@H]1CCC2(CCCCC2)C1	1915915139	VUAZMANWTSWKHZ-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCCC1CCC1)[C@@H]1CCCC12CCC2	1921640971	OQFYRYUYHANQQI-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(Cl)c(NCc2ccccc2)c1C	1923392905	ZPCPJYGJBZLETO-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CC1(C)C[C@@H]1CCCNc1ccccc1Cl	1935938289	XBBSPHKKOQPSOQ-NSHDSACASA-N	237.774	4.578	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1ccccc1Cl	1937162241	UJVPTKKGLQAOGP-LLVKDONJSA-N	238.758	4.595	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@H](C)CCC(C)C	1937174091	MTUYNOOOVZKUQU-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC2(C)CCCCC2)C1	1940410917	ULOPXGFAJRUIQY-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1cccc2ccsc12	1941268217	CDDYIYUWZOQAMO-OCCSQVGLSA-N	247.407	4.583	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@H](CC)C(C)C	1941272974	OBDOOARVDOPDLZ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)(CCCCCC1CC1)C1CCC1	1941582363	VQFOEJXYQHEMSP-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCCCNC[C@@]1(C)C=CCCC1	1943141084	XMNMGOLLFUMXSP-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCNC[C@]1(CC(C)(C)C)CCCC1(C)C	1944478796	VZECPFXUZGIPBK-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CN[C@H]1CCCC2(CCCC2)C1	1946448733	AQBMTAAWZYIOBH-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CC[C@H]2CC[C@H]1C2	1947123612	LTQJSQRVCYPAPB-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc(SC)cc1	1947465574	VSUNVQMDVAECQR-DOMZBBRYSA-N	249.423	4.789	0	10	BJAE	
Clc1cccc2c1ccn2C[C@@H]1C=CCCC1	1947569364	KIKYJMZGYULOFQ-GFCCVEGCSA-N	245.753	4.651	0	10	BJAE	
Cc1ccc(C)n1C1C[C@H]2CCCCC[C@@H]2C1	1947880325	WRIAGCYWAMSYJR-HUUCEWRRSA-N	231.383	4.636	0	10	BJAE	
CC[C@]1(C(=O)CCCCCC(C)C)CC1(F)F	1948114813	QPUJDIHOEVYRFU-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H](C)C1(CNC(C)(C)C)CC(C)(CC)C1	1948410940	JVNGOMXCCJKSEJ-IUDNXUCKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC)CCC1CCC=CCC1	1948847803	MJTPJQRQYWVOFU-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@H]1C=CCCC1	1949156466	ZVHYLGSASOPXLG-HNNXBMFYSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H](CC)C[C@@H]1CCC2(CCCC2)C1	1949553198	XAEXFJVQEZGMOC-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)[C@H](N)C1)CC(C)(C)C	1949659652	FKMTVIDGEHHPQJ-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1CCC2(CC2)C1	1950259264	IDPZQNQXSKWPPW-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2(C)CCC2)CC1	1950920293	UDMVONUQZCSVJA-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC1CC(C)(COc2ccccc2C(C)C)C1	1968366548	ITPIKELHFKKRAT-UHFFFAOYSA-N	232.367	4.625	0	10	BJAE	
C[C@H]1CCc2ccccc2N1C[C@@H](C)C(C)(C)C	1968431268	YJKRPFHWIWIHNQ-KGLIPLIRSA-N	245.410	4.510	0	10	BJAE	
CCC1CCC(N[C@H](C)C2CC3(CCC3)C2)CC1	1968674503	VTZMBNIROUUUCF-VQCLRJIVSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1N[C@H]1CCCC2(CCC2)C1	1969582792	OEVWJQSHSFZLNO-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)C[C@H](C)CC	1981289983	OQWHQMDDGKMVEB-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)c1ccsc1	1986948600	PSTMNHUFCJECND-GXTWGEPZSA-N	239.428	4.614	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](CC)CCCC	1990045925	VOCLGNYMELUEDG-CABCVRRESA-N	227.436	4.904	0	10	BJAE	
CCCCC[C@H](CC1(CC)CC1)NCCC	1990644870	NVXQFPPCISNGCG-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
c1ccc2c(C3CCCCCC3)coc2c1	1995496693	PIHSESYXRXXCON-UHFFFAOYSA-N	214.308	4.871	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(O)C2(C)CCCCC2)C1	1995992369	XOTJPQQDJCEHSM-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC=CCCN[C@H](CC)C1CCC(C)(C)CC1	1996592624	CKNDOXUJLSAHBG-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](CCCCCC1CC1)NC	1996610188	GKUOIFVAIBEOIH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(Cl)cc2nc(C3CCCCC3)[nH]c12	1996685357	VYMRXVGQNRRPSD-UHFFFAOYSA-N	248.757	4.572	0	10	BJAE	
CC(C)C(C)(C)CN[C@]1(C)CCCCC1(C)C	1997428941	KHUKIKHFPVDSEX-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCNC1(C2CC2)CCCCC1	1998184314	PDZAKRRYFIUOKI-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H](C)c1cccs1	1998381507	XEVAAQDYHUNIKO-STQMWFEESA-N	249.423	4.678	0	10	BJAE	
CC1(C)CCC[C@@H]([C@]2(O)CCCC(C)(C)C2)C1	2000023931	LETXDPAADKBUDL-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCNCC(CC)(CC)[C@H]1CCCC(C)(C)C1	2000499071	GYKFNJUMUURCHU-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(O)CCCC2CCC2)C1	2002999579	VNQYHQJWGBNYSG-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC(C)C)C1CCC(C)(CC)CC1	2004337210	OYADHPPWROMEQI-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)C1(C)CCC(C)(C)CC1	2007699659	YIWNEIMDANXMBU-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCCC(=O)c1ccc(C(C)C)cc1	2009567658	SVWVFUJLBMAIAQ-SNAWJCMRSA-N	230.351	4.739	0	10	BJAE	
C/C=C/CCCNc1ccccc1SCCC	2009597598	FQCKKPLHYNFQJX-HWKANZROSA-N	249.423	4.957	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H](CC)CCCC	2009599061	VKXXWRSNANACMT-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@H](C)[C@H](NCCC)C1	2009615777	BWDHQQIKTJRJRG-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1CCC[C@H]1C	2009617484	SPBGHRDLBOZPRZ-ZGWFHWIISA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC[C@@H](NCCC)[C@H]1C	2009620973	ZSHSGLOSQKSSJI-DEOFCCLISA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1CC(C)(CC)C1	2009621748	JOHSZMUFGHXXKX-VLPQFAKUSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C1=CC[C@@H](CC)CC1	2010713501	DWDQYLUKWZGDGK-SQWLQELKSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@@](C)(O)C1=CC[C@@H](C(C)C)CC1	2010716051	DGWYJMZGOJMQMY-GDBMZVCRSA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@@H](NCC)C1=CC[C@@H](CC)CC1	2010721173	ZELBSDOQVVJQEQ-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCCC1(C[C@@H]2C(=O)C[C@H](C)C[C@H]2C)CCC1	2015594652	IRSRSXPLDCBIKY-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@](C)(O)[C@H]2CCC2(C)C)CCC1	2015644615	ORTQBNKPFPYCNP-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)C1CC(C)(C)C1	2016143376	FDGOTNLQMCRDHR-UONOGXRCSA-N	237.431	4.536	0	10	BJAE	
CC1(C)CC[C@](N)(CC2(C(C)(C)C)CCC2)C1	2017148750	RYDUBHAANXYJMA-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC1([C@@H](N)CC2(C(C)C)CCC2)CCCC1	2017148767	SGGNWVVPDGJASE-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@](C)(N)CCC(C)C)CC1	2017727608	BRCGIFPTLWCXGZ-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CC[C@@H](C)C2=O)CC1	2017772103	NQCCDWZLRGNPGT-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)NCCC(C(C)C)C(C)C	2018083402	NZVJNBCJLILUAX-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H]2C=CCCCC2)c1	2019531495	FQCAMGDYRVQBFB-OAHLLOKOSA-N	225.335	4.621	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCC[C@H]2CCCC[C@H]21	2022991360	JDPUUJQWEYJFKE-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCC[C@@H](C)C2=O)CC1	2024002777	BPFQJKCESQBIGX-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CC1(C)[C@H]2CC[C@](C)(C2)CN1C1CCCCCC1	2026985651	SXZWBRXWZCXMQL-WMLDXEAASA-N	249.442	4.610	0	10	BJAE	
C[C@@H](CCC[C@H]1CC1(C)C)C(=O)c1ccccc1	2027840595	RWIGTBQJUMJNNO-ZFWWWQNUSA-N	244.378	4.722	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@H](CCC)C(C)C)cc1	2028261894	ILDBEWPPGRMRRA-IAGOWNOFSA-N	247.426	4.711	0	10	BJAE	
CCCN[C@@H](c1ccccc1C)[C@@H](CC)C(C)C	2028262282	JIOQGUNBPJGJAK-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1cccc(C2CC2)c1	2028551676	IQCKKMIBDPNVMB-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
Cc1cc(C(=O)CCCCCC2CC2)ccc1F	2028629577	BEOYGQCUYZKDIA-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)c1ccccc1	2028636416	ILDWZVCEIAIEHO-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CC[C@](O)(c1cccc(C)c1)[C@H](C)CCC(C)C	2029837192	NQCJACCIAMASSC-NVXWUHKLSA-N	248.410	4.665	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)c1ccccc1C1CCC1	2032269760	XPRWXRDUMOTTKD-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2C[C@H]3CCCC[C@@H]3C2=O)C1	2034266133	WTHKIASBAQAUOL-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H]1[C@@H]2CCCCCCCC[C@@H]2C12CCCC2	2035890253	GTHKYEJIYBYNBM-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@@H]1CC12CCCC2	2036094394	MCTXBWCUPYXWDO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@H](Nc1ccccc1F)C2	2036664269	JICAYFFYCCEHKK-HEHGZKQESA-N	247.357	4.597	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(N)c1c(C)cc(C)cc1C	2037099040	RBTQKFWRJOCQNW-PXAZEXFGSA-N	247.426	4.612	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)C[C@H]1CC=CCC1	2037160735	NJENDGJSZRJREJ-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@@]1(N)CCC1=CCCCC1	2037174265	FATYWGTWQWVNBX-USXIJHARSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC1CCC=CCC1	2037207675	DMFZJQPBBVDJMN-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CCC[C@](N)(C[C@H]1C=CCCCC1)[C@H]1CC1(C)C	2037271822	LKKNQTLLHVQSPV-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C2CC3(CCCCC3)C2)C1	2037683537	SZYMVJFWVFNPAE-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC(CC(=O)[C@@H]2CCC3(CC3)C2)C[C@H](C)C1	2038571602	KXVZYWHIYDCTDF-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC1CC=CC1)[C@@H]1CCCC(C)(C)CC1	2039382500	ALDVTDITTCQARV-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1ccccc1C1(C)CC1	2040321076	DKHWJKISHLUYIU-ZDUSSCGKSA-N	243.394	4.729	0	10	BJAE	
C[C@H](N[C@@H](C)C1CCC(C)(C)CC1)c1ccoc1	2040648318	SNJFPMQZMLHLTQ-STQMWFEESA-N	249.398	4.535	0	10	BJAE	
CC1(C)CC(CCN[C@@H]2CCCC3(CCC3)C2)C1	2041291000	VWZRCGQXUDEZEW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](N[C@H](C)c2ccoc2)CC1	2043059424	KAGSTRUQEIDEOR-IJEWVQPXSA-N	249.398	4.535	0	10	BJAE	
C[C@@H](C(=O)[C@H]1CCCC(C)(C)C1)c1ccccc1	2045449075	HSAHCIUKQYXFMH-HIFRSBDPSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CCC[C@@H](CC[C@H](N)c2ccccc2)C1	2045515569	CKAHPCGPFJLYJQ-HOCLYGCPSA-N	245.410	4.683	0	10	BJAE	
CN[C@@H](C[C@H]1CCCC(C)(C)C1)c1ccccc1	2045552493	RYNNVAWETGSIIE-ZBFHGGJFSA-N	245.410	4.554	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CCCCC2)C1(C)CC1	2047595868	MJAGWFRFWPTEBO-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048465475	KFNHXPRIBJWCMA-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@]1(CNC(C)(C)C)C[C@H]2C=C[C@H]1C2	2049468246	IGRPGNZZMNMWHV-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC1(C)[C@@H]2CC(NC3CCCCCCCC3)C[C@H]21	2049682632	WRKNIHHZTXVDOA-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCC[C@]1(CN)CC1CCC2(CC1)CC2	2049854019	LBTWHHFYIPACCR-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC2(CC2)C1)C1(C)CCCC1	2049855409	LZGNOWHUQXRUNW-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](NC)[C@]2(C)C=CCCC2)C1	2049998654	WVBUTMQHNXBUJX-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(Nc2ccc(C)c(F)c2)CC1	2051592147	ZSMKZJFPYBSSRF-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CCC1(C)CCC(N(C)C[C@H]2C=CCCC2)CC1	2051643285	PHVFXXNFOQGAQG-GTPINHCMSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](C[C@H](C)C2CCCCC2)CC1	2055527499	QBFXSNVAOYJVKQ-JQFCIGGWSA-N	249.442	4.667	0	10	BJAE	
CC1=CCCC[C@]1(N)C1CCC(C(C)(C)C)CC1	2055616006	OWOUPAFJSYGMEX-VMBOVVBDSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](c1ccco1)C1(C)CCC(C)(C)CC1	2056558100	BMDMZEZUZTZZLU-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
CCNC[C@@]1(CCC2(C)CC2)CCCC12CCC2	2059175109	ZTPQYUOFYOPPHW-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)C2CC(C)(CC)C2)CC1	2061149415	CPHJJGFNPMBZMS-AKBUMOGYSA-N	249.442	4.537	0	10	BJAE	
C=C=CCCC[C@@H](CC1CCCCC1)NCCC	2061564910	AEWXRTMUBGKDAT-KRWDZBQOSA-N	249.442	4.836	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCCCCC12CC2	2062019345	IKIYFFUOCKKYIK-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)(CC[C@H](N)C12CCCC1CCC2)C1CC1	2063828931	AWJHIKDTTQDIPP-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCC1)CC12CCC(CC1)CC2	2065337065	JKEDYDQIPKLHNF-ARWYELJZSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@H]1NC1CCC2(CCCCCC2)CC1	2065891861	DTUZVVMJJBYJBP-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCC1(C[C@H](O)c2cc(C)c(C)cc2C)CCC1	2069284136	HWJCKLDRKIQZGO-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1CC(C2CCC2)C1	2070396578	BJGGASKFXQZEDO-UQPPLGOBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@]23CCC[C@@H]2C3)CC1	2070969236	ZFLVMQWTLUSPTH-DJIMGWMZSA-N	249.442	4.502	0	10	BJAE	
C[C@H](N[C@H]1CC[C@@H]1C1CCC1)C1(C)CCCCC1	2071795439	SZWMBGIPMJEPFH-IMJJTQAJSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1	2072704198	JTMPDJJZDSMFTA-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(C[C@H](N)C2(C3CC3)CC2)CC1	2072797188	WYTKSKAOPKJCPO-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CC=CC[C@H]2C)CC1	2072805304	AVEQAHFUMNHPHH-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CC(C)CCCCCN1C[C@H](C)c2ccccc21	2075144984	BEIQJNOKBDOSBS-HNNXBMFYSA-N	245.410	4.827	0	10	BJAE	
CCC(C)(C)CCC[C@H](N)C1CCCCC1	2211232936	DTQAZFRNQYTCCD-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](O)CC[C@H]1C[C@H]2CCC[C@H](C2)C1	2213300203	MDCIHYQXZQMXDC-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1C[C@@H](O)CCCCCCC1CC1	2213577555	CTDJNCRYLAWKAQ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](CCCCC2CC2)C1	2214578139	DPMQSHXFNIWTEC-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H]1C)C(C)(CC)CC	2214955117	LBDSVTGIIZGJKQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1[C@H](N)CCCCCCCC1CC1	2216880384	UTWSQVQIJZGFDZ-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CCC1CCCC1)C(C)C	2217152135	BKVPPNGEPMWUFT-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(CC(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218334426	UPYLCHIOMNWXBO-AGGWBTHJSA-N	248.410	4.598	0	10	BJAE	
CC(C)NCCC=CC[C@H]1C[C@H]2CCC[C@@H](C1)C2	2218361032	IZVPQCMCTKWUEY-BJWYYQGGSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C/C=C/c1ccccc1)CCC(C)(C)C	2219080098	GEBJPAGLWSJZBG-KXKDPZRNSA-N	245.410	4.504	0	10	BJAE	
CCc1cccc2ccn(CC[C@@H]3C[C@@H]3CC)c12	2220958390	HWGRUERSSXCBEW-GOEBONIOSA-N	241.378	4.640	0	10	BJAE	
CC1=CC[C@@](C)([C@H](O)CC2CCC=CCC2)CC1	2221629513	ZQKHOFMMXBAYRP-IAGOWNOFSA-N	248.410	4.620	0	10	BJAE	
CC[C@@H]1CCC(=CCCCCCCC2CC2)CN1	2223112135	ZZTPGJPOLIAUKS-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H](C)c1ccc(C)cc1	2223963659	KWYFZMIBKVMDNT-RDJZCZTQSA-N	247.426	4.657	0	10	BJAE	
C[C@H](C[C@H](O)c1cccc2ccoc12)C(C)(C)C	2224195401	CQCHKULKOWESRD-RISCZKNCSA-N	246.350	4.539	0	10	BJAE	
CC(C)C(=O)CCCC[C@@H]1CCC[C@H](C)C1	2242769148	CBNMZIMAKPSCNU-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)CCC2CCC2)C1	2246724283	DGUPPUVPCCQVQP-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CCCC[C@H]1C[C@H]1C)C1CCCC1	2247126650	DNAIPSPSFOBESK-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@H]1CCC1(C)C	2247310599	MRTCDMXWJUXBIR-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(N)(CC1=CCCCC1)CC(C)C	2247510321	JUKHAKYDJGOMAM-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
Cc1cc(N[C@H]2CCCC[C@@H]2C)cc(C)c1C	2249488184	LOHAIHBJDXBSPK-ZBEGNZNMSA-N	231.383	4.602	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1ccc(C2CCC2)s1	2250290448	UBDYGFXRNXRZJB-VXGBXAGGSA-N	248.391	4.635	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1=C[C@@H](O)CCC1	2250481457	LUILOGUKCVOOAK-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCC[C@](N)(C[C@]12CCC[C@@H]1CC2)C(C)(C)C	2251212914	UWPZPTHQGCKBFI-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(N)CC2(CCCCC2)C1	2254604672	JXGNYSQOTPPQBV-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC(C)=CC[C@H]1CCCN(CC2=CCCCC2)C1	2255143392	IXWJSTDOMLIHEX-QGZVFWFLSA-N	247.426	4.555	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H](C)C2CCC2)cc1	2256240654	XADIIIYQODMPHM-CYBMUJFWSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@H](C)C(=O)Cc1ccc(CCC)cc1	2256312921	ODAIRYHVPPFEGH-AWEZNQCLSA-N	246.394	4.577	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2260504766	FOPXHNQJTJVARH-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@@]23CCCC[C@@H]2CC3)CC1	2260586193	GCVCIPZOGHQMTG-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)NCC1(C[C@@]23CCCC[C@H]2CC3)CC1	2260658521	PRVYAGMQLHJWPS-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@]12CCCC[C@H]1CC2	2260678049	IWFXRGFPURJMAE-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CCC[C@@H]1C[C@@H]1C	2297875912	CHOQVLDJVAUCKN-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC[C@@]12CCC[C@@H]1C2	2300501930	TYTMVAQTOLVOEJ-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](O)C1(CC2CCC2)CC1	2300682467	ZFYGATUMYVEIQQ-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1CCC(C)CC1	2300872173	MWOCMEHMPCNPAU-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H](CC)C(C)C	2300879301	GBRCQWYCCOIEEQ-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC[C@H](C)CSc1ccc(C=O)c(C2CC2)c1	2301285682	SKIRXJBYBHHEPU-NSHDSACASA-N	248.391	4.515	0	10	BJAE	
CCCC[C@H](C)Nc1cc(F)ccc1C(C)C	2301912876	MPOYZRAPJCHLCY-LBPRGKRZSA-N	237.362	4.940	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc(CCC3CC3)cs2)C1	2302264214	ACDNZHIUGMNJID-YPMHNXCESA-N	249.423	4.779	0	10	BJAE	
C[C@@]1(CCCCCCCC2CC2)CCCCN1	2302541813	FIQKKIVXTOSBCM-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2CCC(C)(C)C2)CCC1	2302766431	VHGGMZWOYOCRKZ-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
C=C=CCCCCCCc1ccc(OC)cc1	2303867752	XDALEWMOZQRZLM-UHFFFAOYSA-N	230.351	4.529	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCC[C@H]1C(C)C	2307841055	FHGSCJQCWFHRGB-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CC1(CNCC)CC(CC)C1	2307843835	PMAWXUOOGRZXAT-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCCC1	2309141011	NRNZZYQNESMCJM-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)C[C@@]12CCCC[C@@H]1C2	2311147622	JQBVFWCIJUPOLZ-FSDCSDTHSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1C[C@H]2CC[C@@H]1C2	2313177431	IQXWTSTYQJXPDD-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](C[C@@]23CCCC[C@@H]2CC3)N1	2313334169	WXJWZTRRHIOVJG-VQHPVUNQSA-N	249.442	4.514	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)[C@@H](C)CC2CCC2)CC1	2313597680	QKYYNBUENIFFRM-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
C[C@H](CC1CC1)C(N)(C1CCCC1)C1CCCC1	2313611154	AYQQWTIYAPBCSM-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCCN1C[C@@H]1CCCC2(CC2)C1	2313614286	JGSQEVKZWVHDLD-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@H](C)CC1CC1	2313657600	AXPKWHSUMXSVEE-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CCc1cc([C@H](CCCC(C)C)NC)ccc1C	2314635936	JSEXRLQOHCMRAJ-KRWDZBQOSA-N	247.426	4.644	0	10	BJAE	
CCC(CC)CC[C@@H](O)CCCc1ccccc1	2316247278	CCTAWQIZQCUMOH-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
CCC(CC)CC[C@@](N)(CC)Cc1ccccc1	2316272838	HOECPNAGKWYONK-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
CCC(C)=CC[C@]1(CNC2CC2)CCC[C@H](C)C1	2316489124	DDJCTJNLXUHYTE-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(=CCC(=O)[C@]12C[C@H](C)[C@@H]1C2)CCCC(C)C	2316564956	VISCBPHEIQQNSL-ZOBUZTSGSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCC[C@@]1(N)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316868722	AHJYKKHZMVBDFC-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316884763	JLYCSOYUQIANNM-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCCCCC1)[C@@H](N)c1ccccc1	2317009195	WIFOPQVIHOXVLS-WMLDXEAASA-N	245.410	4.683	0	10	BJAE	
CC1(C[C@H](N)CCCC2=CCCCC2)CCCC1	2318582515	DNEPTVDTMZSWIU-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)C1(C)CC(C)C1	2318593474	VIRMVPRLXWWINR-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CCCCC2CC2)NC)CC1	2318876780	OYHKIZCHVJBVBS-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C[C@@H]2CCCC23CC3)C1	2319127969	FQPJSRPPSRIKJK-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1CCC(=C[C@@H]2CCCC[C@H]2N)CC1	2319196600	FNWNGQHLYQVDGJ-DLDKDUQYSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)cc(NCC[C@@H]2CC[C@H]2C2CC2)c1	2319738848	RDJGDBJSAWIEOM-RDJZCZTQSA-N	243.394	4.542	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H]1CC[C@@H]1C(C)(C)C	2320101982	GDMNEACVTSFRJR-PMPSAXMXSA-N	249.442	4.559	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1CC1(C)C	2320396839	FQLRMZPZBJVJMD-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H](C)c2cccc(C)c2)CC1	2320410812	AVASFJOQQWLKIJ-RDJZCZTQSA-N	243.394	4.535	0	10	BJAE	
CC1(C)CC[C@H](CCNC[C@@]2(C)CC=CCC2)C1	2321614513	WAQUCVNHOXZQQR-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C2(C3CCC3)CC2)C1	2321638465	APZZQICTVCQPCE-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc(NCC2CC3(CC3)C2)c1F	2327765209	NRTZPPKJTBNFSC-UHFFFAOYSA-N	247.357	4.551	0	10	BJAE	
CCC[C@H](C=C1CCC([C@H]2CCNC2)CC1)CC	2328097736	NZYZPFXUKRLZOI-AQYZNVCMSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc2occc2c1	2328212470	HQCVORYHRDGITJ-LBPRGKRZSA-N	244.334	4.832	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](NC)c1ccc(C)cc1	2328291349	HQKCMUTZVHUTKJ-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cccc(Cl)c1Cl	20017962	JVJNWVZUQRNYCL-IUCAKERBSA-N	246.181	4.840	0	10	BJAE	
CCCC(CCC)Nc1ccc(Cl)cc1	21506551	ZFLNONAFQXPVON-UHFFFAOYSA-N	225.763	4.721	0	10	BJAE	
CC[C@H](Nc1cccc(Cl)c1)c1ccccc1	21515481	RRHUXCNYACNFQA-HNNXBMFYSA-N	245.753	4.903	0	10	BJAE	
COc1ccc(NC(CC(C)C)CC(C)C)cc1	21810795	FZWZPJQJZPUJPZ-UHFFFAOYSA-N	249.398	4.568	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cc(F)ccc1C	22145875	ZQWMHPQOUXSKAO-RISCZKNCSA-N	237.362	4.761	0	10	BJAE	
c1ccc(-c2ncc(-c3cccs3)s2)cc1	34293513	KKDAICXKXAEJQG-UHFFFAOYSA-N	243.356	4.539	0	10	BJAE	
Cc1c([C@@H](C)N)sc2ccc(C(C)(C)C)cc12	34975132	GLMDLLBRCNNMOH-SNVBAGLBSA-N	247.407	4.527	0	10	BJAE	
CCC(CC)[C@H](NC)c1ccc(CC(C)C)cc1	35459912	GIXZGZMXEZLCBE-KRWDZBQOSA-N	247.426	4.582	0	10	BJAE	
CCCCC[C@@H](NCC)c1ccc(Cl)s1	35553034	NXCOCDOBGNWFMT-SNVBAGLBSA-N	245.819	4.632	0	10	BJAE	
CC[C@H](N[C@@H](c1ccccc1)C(C)(C)C)C(C)C	37292277	IOMRWPUSFFBOIF-HOTGVXAUSA-N	247.426	4.798	0	10	BJAE	
CCCc1ccc2nc(CCC)cc(Cl)c2c1	37507587	AEOMHUORZIDSQH-UHFFFAOYSA-N	247.769	4.793	0	10	BJAE	
CCCCCOc1ccc(C(C)(C)CC)cc1N	66140883	AGILUACMAZIBQA-UHFFFAOYSA-N	249.398	4.525	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccc(C)cc1C	70977175	KAMMCJWVWQTKIV-ZBFHGGJFSA-N	231.383	4.684	0	10	BJAE	
Cc1ccc(C)c2nc(Cl)c(C(C)C)cc12	71136918	LRTRSNQBYNLETF-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
Cc1ccc(Cl)c(C)c1NCc1ccccc1	83374655	XEEVGZOCQGWRMT-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CC(C)C[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccccc1	83828872	GCWCGLRZHMHQDM-OIISXLGYSA-N	245.410	4.552	0	10	BJAE	
CCCN[C@@H](c1ccoc1)C1CCC(C)(C)CC1	87944046	DJRIDSPFIMCHBE-OAHLLOKOSA-N	249.398	4.537	0	10	BJAE	
CCC[C@@H](CC)Nc1nc2ccc(C)cc2s1	91938292	UDSSPTXLOVNOKZ-LLVKDONJSA-N	248.395	4.595	0	10	BJAE	
CCCc1ccc([C@H](CC)C[C@H]2O[C@H]2CC)cc1	107477503	UVAIKVZOBTVCFM-HYVNUMGLSA-N	246.394	4.700	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1ccc(F)c(F)c1	107607901	NLTWCPFTEDWXHH-ISALQUGTSA-N	224.294	4.815	0	10	BJAE	
CCCCCC[C@@H](NC)C(C)(C)c1ccccc1	112899459	ZIPJAVJTFHZETO-MRXNPFEDSA-N	247.426	4.523	0	10	BJAE	
CCc1ccc(C(=O)CC2CCCC2)cc1CC	127918657	VFTSCHWHVVLVHT-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@H](C)CC	133514182	KALRNHLABAQCLN-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
Cc1c(-c2ccccc2O)sc2ccccc12	143659002	CLHQLYYSDXTNAI-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCCCC(=O)c1c(CC)cc(CC)cc1CC	147843703	HKMFEBAMFXVDDX-UHFFFAOYSA-N	246.394	4.747	0	10	BJAE	
Cc1cccc2cc(C(=O)C3CCCCC3)oc12	159886896	ZXJFKVKFKOLLLO-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C1CCCCC1	169128787	BXTCJMZGACWGCX-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H](CNC(C)(C)C)CC1CCCCC1	203480552	KCCSNHBRXQINII-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CC(C)(C)[C@H]1CC[C@@H](C)C[C@@H]1N	222553888	SYCODYXBFUMBSF-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@]1(O)CCCC[C@@H]1CC	227029174	GRKAUTMUPZSSSR-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)c1ccc(C)cc1C	229330028	YNMRQUFMFQQURQ-PVAVHDDUSA-N	245.410	4.520	0	10	BJAE	
CCCC(CCC)C(=O)CC(CC)CC	229447007	VYDQZOMMADOQQX-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1cc(C)cc(C)c1	229474263	NLOGPWXDFZDANP-GDBMZVCRSA-N	233.399	4.520	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)CC2CCC2)c(C)c1	229689981	ABIJINRMJICLNL-AWEZNQCLSA-N	231.383	4.602	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](NCCC2=CCCCC2)C1	230986452	KBDCOEXLUYLQGY-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC1CCC1)NCC	232177871	FEUDZSGMWGBFTI-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H](C)CC2CCC2)c1	232229878	SGHLUZJFNSPZJW-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]2CCC)CC1	233307419	FNVASRUUVPNYMY-KLHDSHLOSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@]1(C2=CCCCCC2)CCCCCN1	233318678	IRGAKFFVYKIDOU-INIZCTEOSA-N	235.415	4.579	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)c1cccs1	300807051	FJPRLXJGHSNUEQ-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](C)C(=O)[C@H]1CCCc2ccccc21	302420347	QWCFMIUUFZOAMR-BBRMVZONSA-N	244.378	4.502	0	10	BJAE	
CC/C(=C\C(C(C)C)C(C)C)CNC(C)(C)C	302599867	VZPMDRVMIQQPJX-GXDHUFHOSA-N	239.447	4.639	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1CCC(F)(F)C1	304161062	LOPXXIHKPLVFKI-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1csc2ccccc12	305978449	HQRAEZPEWDTOEM-ABAIWWIYSA-N	248.391	4.761	0	10	BJAE	
CSc1c(C)sc2c(Cl)cccc12	307413603	LQLKTUQINXPVRX-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H](CCC)CC(C)C	308042228	CISLZZBNQMUTPA-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H](C)NCc1ccsc1C	309374864	FUBKWHQANJQXRF-LBPRGKRZSA-N	239.428	4.505	0	10	BJAE	
CCCC[C@H](C[C@H]1CCC[C@@H](C)C1)NC(C)C	310415960	NATUGGZIWBKRQL-OWCLPIDISA-N	239.447	4.760	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1C[C@H](C)c2ccccc21	310838530	LVBXZNXNEGZVLM-AYMQEEERSA-N	245.410	4.649	0	10	BJAE	
CNC[C@]1([C@@H]2C=CCCCCC2)CCC[C@@H](C)C1	316725826	AEKJDFDAHNPXGZ-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](Nc1ccccc1C(C)C)[C@H]1C[C@H]1C	321083624	MEUOJYAMDQJXML-SNPRPXQTSA-N	231.383	4.657	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC12CCCCC2)[C@H]1C[C@H]1C	322219881	WWDOZNYGVVDAHW-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CC/C=C\c1ccccc1	323979483	DYYAYTJRESXGHN-YETNAYFDSA-N	246.394	4.523	0	10	BJAE	
CCCc1cccc([C@H](O)C(CC)(CC)CC)c1	395215398	JYFNEOVZSTZNLY-INIZCTEOSA-N	248.410	4.889	0	10	BJAE	
CCOc1cc2c(Cl)cc(CC)cc2s1	396194011	UCJQAXXSVHRMCV-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H](C)C1CCC1	398698980	SDWZAFLRSZBZRD-UKRRQHHQSA-N	238.415	4.844	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CC=CCC2)CC1	402152399	MTFDTSJZIDRGOS-SHARSMKWSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	403263801	YNFVFTKWXLHAJA-RBSFLKMASA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@H]2CCCC2(C)C)c1	688917010	TZVZRIROVNGHPN-HZPDHXFCSA-N	245.410	4.636	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cccc(C(C)C)c1	688982668	CSKUCDKUEHAXIW-ZDUSSCGKSA-N	232.367	4.819	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)C2CCCC2)c1	689610556	IUSMUEVJKUOSJW-CYBMUJFWSA-N	245.410	4.802	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)CC1CCCC1	689804325	WFRIYICYGPDBTE-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1Nc1ccccc1	691154473	HGJQQUQNFNMGFH-HOTGVXAUSA-N	231.383	4.703	0	10	BJAE	
Cc1cccc(C)c1NC[C@H]1CC2CCC1CC2	691720593	GKDXLGGNLYLCJW-UYSNPLJNSA-N	243.394	4.542	0	10	BJAE	
Cc1cc(-c2ccc3sccc3c2)ccc1O	691793704	ITNURTOTZOUFEU-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CCC12CCCC2	693793039	VEHYCVWXWYIWIE-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCC(C)(C)CC	696647053	RIHMUANHGJDGLJ-AWEZNQCLSA-N	227.436	4.747	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1(C)CCCCCC1	696712774	OXWAHWRZRGMDLO-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	699054971	YXJXQFNAGVWALJ-XJKCOSOUSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@H]2CC2(C)C)cc1	700632897	ANXDIPHEUIDZJG-TZMCWYRMSA-N	231.383	4.658	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](NC)C(C)(CC)CC	701231325	MFZNMLUZEOOHKC-HOTGVXAUSA-N	247.426	4.595	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@@]1(C)C[C@@H]1C	704333569	FXNUOLKMRRWJQQ-XKQJLSEDSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)CCC[C@@]1(N)CCCC[C@@H]1C1CC1	704463213	NBEQWBVDZHYRCA-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
C/C=C\[C@@H](NCCC)c1ccc(C(C)(C)C)cc1	704639430	HULMDTPMFLIBME-QKIRZYONSA-N	245.410	4.601	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@@H]1CCCC[C@@H]1C	704797642	PNNKGHUAOCZKHR-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C1CCCCCCC1	704936738	OPUYLTSIZIHXOC-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCc1ccccc1[C@H](N)[C@H](C)CC(C)(C)C	708286654	SZNDDSLYFRAEKR-CZUORRHYSA-N	247.426	4.711	0	10	BJAE	
CCCC1([C@H](C[C@H](C)CC(C)(C)C)NC)CC1	709125757	ITBOTKSUKQFZAI-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCNCC(CC)(CC)C[C@H](C)CC(C)(C)C	709126232	PDKSGBOHEILUCZ-CQSZACIVSA-N	241.463	4.865	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)C[C@H](C)CC[C@@H]1C	709138489	ALYVOXVDKIHRLD-ORIJERBGSA-N	239.447	4.602	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C12CCC(CC1)CC2	710047815	CIOILDWATNWVFA-CGZBRXJRSA-N	247.426	4.565	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C[C@H]3CCCC[C@H]32)c1	712449543	FYEWDRKFFAHVEU-DJIMGWMZSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@@H](CC(C)(C)C(C)C)NCCC	713183078	IWALWPXOYAWAOU-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC/C=C/[C@H](C)Cc1c(C)cc(C)cc1C	714565436	CRFFMANKUDLJBE-GUOLPTJISA-N	216.368	4.757	0	10	BJAE	
COc1cccc(Cl)c1CCC(C)=C(C)C	718700783	PCNVHIUKJBFHHC-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
CCc1c(C2CCCCC2)sc(Cl)c1N	720398573	HHLMZHHQBQCLOC-UHFFFAOYSA-N	243.803	4.594	0	10	BJAE	
CC(C)=C(C)CCC[C@@H]1C[C@H](C)O[C@H](C)C1	724862411	HLKOFVIRBYZLFS-FICVDOATSA-N	224.388	4.717	0	10	BJAE	
CC[C@H](SC1CCCC1)c1ccccc1	1164551170	IENGPEBFEKKMHC-AWEZNQCLSA-N	220.381	4.814	0	10	BJAE	
C=C/C=C/CCN(CCCC)[C@@H]1CCC[C@H](C)C1	1460178899	SMAXWUBWSJMJDB-AAAWEMBMSA-N	249.442	4.800	0	10	BJAE	
C=C/C=C/CCOc1c(Cl)cccc1Cl	1613279752	NXLCJRFBAMBLCA-ONEGZZNKSA-N	243.133	4.505	0	10	BJAE	
C=COc1ccc(NCC2CCCCCC2)cc1	1620965658	NRMORQIWVMSTPX-UHFFFAOYSA-N	245.366	4.591	0	10	BJAE	
C[C@@H]1CCC[C@@H](Sc2ccc(F)cc2F)C1	1656172721	CIYOADXYCDLJLD-MWLCHTKSSA-N	242.334	4.636	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1cc(C)cc(C)c1	1661019564	ZWLCGUSWVSVUFC-DOTOQJQBSA-N	243.394	4.708	0	10	BJAE	
CC[C@H](C)[C@H](C)N(Cc1ccccc1)C(C)(C)C	1880414225	YSQRMEIUUOSLTK-GJZGRUSLSA-N	247.426	4.722	0	10	BJAE	
CC(C)CCCc1cccc(Cl)c1Cl	1889481598	VWUKYFDANRVFLS-UHFFFAOYSA-N	231.166	4.972	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)CCC=C(C)C	1900694886	CXLBQEIRNDBYGG-HNNXBMFYSA-N	226.404	4.700	0	10	BJAE	
CCC[C@@H](CCCCC(CC)CC)NCC	1900702490	PFQCAWAXMRJMDM-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCC[C@@](O)(CC)CC[C@@H]1CCC(C)(C)C1	1903384560	ATEUNGVPSVSDRA-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1cscc1CC	1905441831	AWNCUXQLIGFJKJ-FZMZJTMJSA-N	240.412	4.560	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@H](CC)CCC	1905453456	JSDWRDVVNLYXPE-HUUCEWRRSA-N	227.436	4.748	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@@H]1CCCC(C)(C)C1	1908592364	SYQJZNNAFPAULF-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(NC[C@@]23CCC[C@@H]2C3)cc(C)c1Cl	1909360268	CUZGLKUYQOHYHD-DOMZBBRYSA-N	249.785	4.559	0	10	BJAE	
C=CC=CCC[C@]1(CNCCC)CCCC[C@@H]1C	1911846599	LGDBKTIDMPCXKV-DLBZAZTESA-N	249.442	4.705	0	10	BJAE	
CC(C)[C@](C)(CNC(C)(C)C)C1CCCCC1	1912215958	DYRKRVGUNZSQRT-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(CN)CC3(CCCC3)C2)C1	1912585269	PKABTOHJZBLAED-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
CC(C)(C)CCCC1(O)CC2(CCCCC2)C1	1912713903	XFHXQMBNYGFKMS-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCc1cccc(N[C@H]2CCC3(CCCC3)C2)c1	1916428086	SZLGYVLMCWBLJB-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1CCC2(CCCC2)C1	1916443553	YRQNYOTVSWVROM-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@](O)(CC)CCC(C)(C)CC	1919508464	CKLNNBXXCUVGLA-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
CC=CC1(O)CCCCCCCCCCC1	1919648966	MWUCCOJPMBEKCH-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC(C)=C(C)CCn1ccnc1C1CCCCC1	1923608248	PTFNCADXRPRNTH-UHFFFAOYSA-N	246.398	4.677	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(CN)C1CCCCC1	1924101584	SQSKMFJVJOFTMU-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](C)C2CCCCC2)cc1C	1924102300	YTFKHWLNLJOYCE-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CCNC[C@@](C)(CCC(C)(C)C)C1CCCC1	1924118317	GZIZOVOTRRQRGY-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H](C)C1CCCC1	1924126431	QQECJSOOQCOJCT-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1C=CCCCC1	1925805635	WMVJTHKVNPSFTR-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
Cc1scc([C@H](N)C[C@@H]2C=CCCCC2)c1C	1925949707	UIZWTPSSQPCHHC-UKRRQHHQSA-N	249.423	4.501	0	10	BJAE	
CCNC(CC(CC)CC)CC(CC)CC	1926377453	DZNGZLNGXRAAOY-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CC1(C)CCC(=CCC[C@@H]2CC2(C)C)[C@H](CN)C1	1927165743	NRTNGWFGTMKSQW-LSDHHAIUSA-N	249.442	4.524	0	10	BJAE	
C=CC=CCCCCC(C)(C)C(F)(F)F	1930662445	USJCGNUUDAAPNJ-UHFFFAOYSA-N	220.278	4.878	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CCC1(C)CC1	1935882151	JPDLDQTWGXNHFU-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1CCCC(C)(C)CC1	1939902362	CUZIMUKKZUPEEL-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CC1(C[C@@](C)(N)C2CCCCC2)CCCCC1	1940411624	XLYKMRSLUSOXQC-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)CC1(C)CCCCC1	1940414206	IFLHQDSGGOOHKP-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCCC1=C(C)c1cccc(N)c1	1940978983	HQQKRUONOLOGEG-CYBMUJFWSA-N	229.367	4.643	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H](CC(C)C)C(C)C	1941266973	MBBQTZARJXSYQU-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(O)CCCC1CCC1	1941469813	IKPHCSWKGGQUCF-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCCCCCC1CC1	1941581407	KOFGQJPOAZHBDG-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(=O)CC1CCC=CCC1)C(C)(C)C	1941791862	REIQHSCNSLDHDF-ZDUSSCGKSA-N	236.399	4.764	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@@H](C)CCC(C)C	1942655785	BFFOLCPIXOINBI-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1[C@@H](C)CCC(C)C	1942662305	XFQTUKGKNOIJOR-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@](C)(N)CC1C[C@H](C)C[C@@H](C)C1	1944202114	HOZXKADOLNXUPV-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
Cc1cc(N[C@@H](C)[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)cs1	1944700494	CZPZWVYHOOLKLT-VTPLQMEGSA-N	249.423	4.539	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@@H]1CCC[C@@H]1C	1944836333	JXTHERSMDCVBSO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C(F)(F)CC1CC1	1945180296	KDVORYKPCOLCEA-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H]1CCC(C)(C)C1)CC(C)(C)C	1945583807	CJKCDGZFDIEURI-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](O)(c1cccc2sccc12)C(C)(C)C	1945963012	VJAUJQGDFXUVMT-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CC(C)(C)c1nc2c(s1)[C@@H]1CCCCC[C@H]1C2	1947860919	XIGJSTGLLWSWQW-WDEREUQCSA-N	249.423	4.661	0	10	BJAE	
CCCC[C@H](CCC1CCC(C)CC1)NCC	1948434348	YIVJNSYYMLCSDB-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CC[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	1948587444	RZYIJCFUMBZABA-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)[C@@H](C)C1CCCCC1	1949082296	FANYKYUHHXJJIK-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@H]2CCCCCCCCC2=O)C1	1949498700	XTAZAUFYSTWZSW-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@](CO)(C2CCCCCC2)CC1	1950908276	LVWIHOVEGHNTRP-ZBFHGGJFSA-N	238.415	4.536	0	10	BJAE	
CCCC1(C(=O)c2csc(Cl)c2)CCC1	1959879014	MRLLLTZULSQVCQ-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
Cc1ccc(N[C@H](C)CCC2CC2)c(Cl)c1	1968290269	YNSJJMLNIMZXQT-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2[C@H]3CCC[C@H]32)cc1	1968368827	ORTZNUIPHXZZTF-KKBVYLPWSA-N	244.378	4.625	0	10	BJAE	
CCC[C@H](NCC[C@@H]1CC1(C)C)c1ccccc1	1968434973	DAPAAXQHBKAGMW-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)c1csc(C)c1	1973164945	ZGVDAIXMDYXHRW-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)c1cc(C)ccc1C	1973169231	HHAZHFMHTVOIAX-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CC[C@H](C)C1	1975785066	PGNSMDMCVCGVQZ-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC=C(C)C)CC1	1980984918	YWKTXAZFNORRGE-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CC[C@H](C)C[C@H](O)C1(C)CCCCCCC1	1981416787	SRFSQQZOCRJDFP-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](CC(=O)c1cscc1F)CC(C)(C)C	1982846674	NOIZOYUMIOUSLE-VIFPVBQESA-N	242.359	4.532	0	10	BJAE	
CC=CCCCn1ccc2c(Cl)cccc21	1984591317	NFHJXNKKZLZWBD-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
CCC(CC)CCN[C@H](C)CCC=C(C)C	1988795247	QZJYUZDKOUEVJH-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1cc(C)cs1	1995258746	HHUDEHYRKHOVPD-YPMHNXCESA-N	240.412	4.696	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C=C(C)C)NCC	1995261629	GLIGJKAFVPAFOM-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)C1(C)CCCCC1	1995986042	MIIOSNHBOQTHQX-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)CCCN[C@]1(C)CCCCC1(C)C	1997421169	DMNGEMIYMWOLNK-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@]1(C(=O)CCC2=CCCCC2)CC=CCC1	1997605413	YBUHKJZSWIKEAE-INIZCTEOSA-N	232.367	4.583	0	10	BJAE	
Cc1csc([C@@H](N)C[C@@H]2CCC=CCCC2)c1	1999988570	RLPZONUGQOZOFM-KGLIPLIRSA-N	249.423	4.583	0	10	BJAE	
CCCC1(C(=O)C[C@H]2CCC[C@@H](C)C2)CCC1	2000194999	LIASEFMTPHPRHJ-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CC[C@H]1CCCC(C)(C)C	2002881430	BAAPZQFRRFCWNH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@@](C)(N)C(C)(C)CC)CC1	2002970390	OHAWGECVUBURLX-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2003013416	HDMYHTCTYQESHD-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](CC)NCC)CC1	2003066575	DYUJWMJVXRMZNG-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
O[C@@H]1CCCCCC[C@H]1CCC1CCCCC1	2003098709	HTHBLJFEQGKZNQ-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
O=C(CCC1[C@H]2CCCCC[C@H]12)c1cccs1	2003682447	XGBHTKUTUUOKKI-RYUDHWBXSA-N	248.391	4.537	0	10	BJAE	
C[C@H](C[C@@](C)(O)C1(C)CCC1)C1CCCCC1	2004839692	JZSALDOPQKHOOL-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(NC2CC(C3CC3)C2)cc1Cl	2007782176	KYYDTCVYGQCTLA-UHFFFAOYSA-N	249.785	4.503	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C1(C)CCCC1	2009546411	DVHZBTUMHZGYNN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(N)CCC(C)(C)C)CC1	2010730161	VMRTVJPAZIJJBY-CZUORRHYSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C1=CCC(C)(C)CC1	2010750577	WAOFBAJONQKNGX-AWEZNQCLSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@H](NCC)C12CCCC1CCC2	2012120293	MDUWCZMCJQCEHG-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)CNC12CCC(CC1)CC2	2012792403	VZXPAKRIXAAJNU-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCCC(=O)C(F)(F)C1CCCC1	2012957242	NTFTWLLOTOTYJG-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
Cc1c([C@H](N)CCC(C)C)sc2ccccc12	2014289685	DRRFOTJKLDPHCA-CYBMUJFWSA-N	247.407	4.646	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)C2(C)CCCC2)c1	2014336425	DPAGDPFEEFNYKX-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
CC(C)(C)CCCNC1CC(CC(C)(C)C)C1	2014658783	VIRSYRNHKYYHDV-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCN[C@H](C)[C@H]1CCC1(C)C	2014938035	LUEIPKBLEQPRQS-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)CC(=O)C(C)(C)C1CCCCC1	2015385103	BAOYFMFBDNPSGV-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(OCC2(C(C)C)CCC2)c(C)c1	2017123481	BLZOVTLZRTZPLN-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CN[C@H](C(C)=C(C)C)C1(C)CCCCCCC1	2017478933	WZKSVRSASUDKTQ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CC23CCCCC3)sc1C	2017986256	SHTYLCUXVCFEJY-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H]1CCCC12CC2	2018128000	SFDYUHICCMNLLA-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)C1CCCC1	2018992274	PEFVGPKLBFJTFF-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(CC)C2CCCCC2)C1	2019203255	OCRBFXNKRMTXCL-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](CCCC(C)(C)C)NCC	2022383206	LHZBOLAWBRPQJG-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](O)C1(C)CCCCCC1	2022452496	XHKFPKIYGMIKCB-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CNc1ccc2sccc2c1	2022479992	HJBYOBSHOTUUOA-GXTWGEPZSA-N	245.391	4.605	0	10	BJAE	
Cc1cc(NC[C@@H]2C[C@@H]2C2CCCCC2)cs1	2022496257	QALBQLQEHWJCMP-DZGCQCFKSA-N	249.423	4.685	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCCCC(C)(F)F)C1	2023331278	JNXXMEHPPUTGKC-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCNC[C@@](C)(CC)C[C@@H]1CCCC(C)(C)C1	2024093699	DLMWHDVIIFIGBT-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H]1CCC(C)(C)C[C@@H]1CC(C)(C)C	2024122663	GELFDAMTASYBMU-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H](CC[C@@H](C)CCCC)NC	2026170236	OFBSOLJMCXZPQJ-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CN(CC1(C)CCCCC1)[C@H]1CCCC2(CC2)C1	2027298364	YHULSEGYDVUQJH-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@H](CC(=O)CC[C@H]1CC1(C)C)c1ccccc1	2027815466	NTEXJOOOYYGGRB-HIFRSBDPSA-N	244.378	4.576	0	10	BJAE	
CCCc1ccccc1[C@H](O)CCCC1CCC1	2027897773	JFTOJELYHTZLTO-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CC[C@@H](C(=O)Cc1ccccc1C(C)C)C(C)C	2028254838	KNGAZJHORZIKTO-OAHLLOKOSA-N	246.394	4.604	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)[C@H](CC(C)C)C(C)C)c1	2028261331	GYYWNTLZKXQIBK-WBVHZDCISA-N	247.426	4.622	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C12CCC(CC1)C2(C)C	2033445617	XAFRFJHUEPXTRQ-ISXOHVOVSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NC1CC(C2CCCCC2)C1	2033830802	RCHKPEVGPUYRQZ-LYAPFXNSSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)c(C)c1	2034264039	PGBFQKWOYHFQLY-YQQAZPJKSA-N	243.394	4.684	0	10	BJAE	
CC(C)NC[C@@]1(C[C@H]2C=CCC2)CCCC1(C)C	2035585060	BQQBLEMBEZGNAL-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@@H]1CC(C)=C[C@@H](C)C1	2037043869	KWIZKINVDAQAOY-FMPTWSOUSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)([C@@H]2CCC3(CCCC3)C2)C1	2037596138	YCBBOTZSGRSCKV-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2[nH]c(C3(C)CCCCC3)nc21	2038006760	HYOUFJNOSFCTIO-VXGBXAGGSA-N	246.398	4.632	0	10	BJAE	
Cc1ccc([C@H](O)[C@H]2CCC[C@@H](C)CC2)cc1C	2039358984	HBNCQJRBQUMHEI-ISTRZQFTSA-N	246.394	4.553	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2CC3(CCCCC3)C2)C1	2040150406	RHCDZTACDMONDC-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@H]2C=CCCC2)CC1	2041380887	WKBDNZIPCSVEAQ-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H]([C@@H]1CCC(C)(C)C1)[C@]1(C)CC=CCC1	2042017116	RBURQTFFIMGAQY-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(NCC2(C)CC=CC2)CC(C)(C)C1	2042076254	LVNULHPAKZEKBS-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
Cc1c(F)cccc1NC[C@H]1CCC=CCCC1	2045329469	OIMBGLQXAZYPDH-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
CC(C)CCCC(=O)CC1(c2ccccc2)CC1	2045570133	ZQVNVETYHMFHQO-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc(CC(C)C)cc1	2045587415	SXBJVOQBZFDJDM-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CCC(CC)(CC)C(=O)Cc1c(C)cccc1C	2045608015	CLIZJAFPSSUONT-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CCCC1([C@@H](C[C@@H]2CC23CCCCC3)NC)CC1	2047017274	UOSMKKMVIVOFTO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048442642	GJOJAKRQHCEUEZ-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2048473314	NOPNKICRSPAOCE-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@H]2C=CCCCCC2)C1	2049578044	SENRONVNVNJGFR-NCOADZHNSA-N	249.442	4.680	0	10	BJAE	
NC1(CC2CC3(CCC3)C2)CCCCCCCC1	2049677241	AOXDPWGTOPPAQP-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
C[C@@H](C[C@@H]1CCCC2(CC2)C1)c1ccc(N)cc1	2049860757	TUPRCXZZUUVKAB-KBPBESRZSA-N	243.394	4.733	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CC1CCC2(CC1)CC2	2049950553	IGCUYXYEHWBWFO-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CC1CCC(CCC(=O)c2ccccc2F)CC1	2050495606	VSZZRUXXOCEIDT-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H](CCC(C)C)C2CC2)CCC1	2055553208	XALVHNJMXZUSCQ-SJORKVTESA-N	249.442	4.680	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CCC1=CCCCC1	2056447091	BFAVHKKZQJJHFJ-HOTGVXAUSA-N	248.410	4.908	0	10	BJAE	
CC(C)C1CC(CNc2ccc(C3CC3)cc2)C1	2056725997	RIGIOJPNESSPHL-UHFFFAOYSA-N	243.394	4.658	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2056879466	SZTGLHNNCJQJLE-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
CSc1cc(Cl)c(C(F)F)c(Cl)c1	2060073161	KMQKCLMURVPKGI-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)C2(C)CCC(C)CC2)CC1	2061087484	GGKOODDQXQBGOQ-HTUOJYHCSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](CNC12CCC(CC1)CC2)C1CCCCC1	2065261565	ZAJQODNEEAKDRJ-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC([C@H](N)CC23CCC(CC2)CC3)C1	2065301631	YAIVZGDICKNDPX-WALXCBACSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)C[C@H]1CCC=CCCC1	2068269683	ORWYRAXGWHQRPS-YQQAZPJKSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2C[C@@H]3CC[C@@H]3C2)C1	2068709744	DKNWZYZUJNAAQY-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@]1(CC2C[C@@H]3CC[C@H]3C2)CCCCCN1	2068771990	PMBOBDUFDHGOKR-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@]1(C[C@@H]2C[C@@H]3CC[C@@H]3C2)CCCCCN1	2068780467	PMBOBDUFDHGOKR-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CCC1(CN2CCCC[C@@H]2C2CCCC2)CCC1	2069323003	DGSJIYATTQJPLK-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
COc1ccc(N[C@H](C)CCC=C(C)C)cc1C	2070396851	DMCKHFUFRPIJEY-CQSZACIVSA-N	247.382	4.550	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@H]2C2CCC2)c(C)c1	2071782990	OCMURYJGANXAHE-JKSUJKDBSA-N	243.394	4.602	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@@]23CCCC[C@H]2C3)C1	2074094896	OMRZEGPZYOHBAI-VSUJBEPISA-N	248.410	4.598	0	10	BJAE	
CCC1(CC(=O)c2ccccc2CC(C)C)CC1	2074597968	ULKUKDOWNODNIN-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCC1(CC2(CNC3CC3)CCCCCC2)CC1	2074623493	IGGNANRDSKHJEL-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCc1ccc(N(C)[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1	2074802754	SFFNZVPSWKVMBE-JKIFEVAISA-N	245.410	4.510	0	10	BJAE	
C1CCCC([C@@H]2C[C@H]2NCCCC2CCC2)CC1	2079529862	MSUOSDONIUQIET-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN[C@@H]2C[C@H]2C2CCCCC2)CCC1	2079532876	XJRMDMQIYRXKOY-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)C[C@H]1C[C@@H]1C1CCCCC1	2079852108	OQSWWQAUPFIZAO-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCCCc1ccc([C@@H](CC=C(C)C)NC)cc1	2081781860	VFUGVPYEBKLXSZ-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC(C)(C)CCC(=O)CC1C2(CCC2)C12CCC2	2083535968	MCBDUOSYZLAERI-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)[C@H](C)NC1CC2(C1)CC1(CCC1)C2	2083645189	TWLVNGGCKFLHDR-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NC)C1=C[C@H]2CC[C@H]1C2	2086059096	DIIRYFVOVUXRNP-WBTNSWJXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]([C@@H](N)CCCCCCC1CC1)C(C)(C)C	2213572948	BVIZTABIKGIOMT-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H]1CCC[C@@H]1CCCCCCC1CC1	2213575928	LAMFMSBXDWMAPB-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](NC2CC3(CCCC3)C2)C1	2218036624	GZVIWCYYQQTZBA-HDJSIYSDSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@@](N)(CC2C[C@H]3CCC[C@H](C2)C3)C1	2218356018	IOVTTWQJSXMVJP-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CCCC(N)(CCC)c1ccc(CC(C)C)cc1	2218646988	DZOWWXWEOQCHIT-UHFFFAOYSA-N	247.426	4.639	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1	2218731429	NGEPLGVWBICHLM-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C(=O)CCCCC1CC1	2220012978	KLGBNOGRSVNKAT-DZKIICNBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2220635991	GWYDJSVUXANZTF-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)CC1(C)CC(C)(C)C1	2221015066	FYDLYAKEMPGJMV-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(N[C@H]2CCC23CCCCC3)CC1	2221596077	ABGANMICVMFXEF-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@]1(C)CC=C(C)CC1	2221632372	QJUCWXTZJZRRAO-IAGOWNOFSA-N	247.426	4.623	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CC2)CCCCC12CCC2	2223588445	HLTMFKBNMBIOSM-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NCC2=CCCCC2)c1Cl	2243244215	WYAVBZTWFLSDFF-UHFFFAOYSA-N	235.758	4.561	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H]1CCCC1=O	2244840957	BWTGVPKUHLKENA-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CN)CC[C@@H](C)CCCC(C)C	2244843408	OTQCTEOIQVGZQY-LSDHHAIUSA-N	227.436	4.604	0	10	BJAE	
CCCC[C@@H](CC)CSCC(=O)CC(C)C	2246089213	DVALAIVBDCMZJJ-CYBMUJFWSA-N	244.444	4.551	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCC[C@@H](N)C(C)(C)C)C1	2246658886	DMVMHIQGFVUHQA-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
Cc1cn(CC[C@H]2CCC[C@H](C)C2)c(C)c1C	2246690740	BLIFFZDAFSHPRL-BLLLJJGKSA-N	233.399	4.630	0	10	BJAE	
CCC1([C@H](O)CCCC[C@H]2C[C@H]2C)CCCC1	2247165680	RNRAQKPAHUNSSN-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1COc1cccc2sccc12	2247448707	VYNQPAWMGCYSHQ-LLVKDONJSA-N	246.375	4.716	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1csc(C2CC2)c1	2248043977	FTDDGUKFWJMPFN-CQSZACIVSA-N	249.423	4.762	0	10	BJAE	
CC(C)C(C)(CNC[C@@H](C)C(C)(C)C)C(C)C	2248382432	HSJHIROANIMALF-CQSZACIVSA-N	241.463	4.577	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNC1(C)CCCCC1	2248864170	BCKBYICCPBFQAT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)CN[C@H](C)[C@H]1CCC[C@H](C)C1	2250384142	ALIHMHIKUYQYDA-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@H](O)CC[C@H](C)CCCC(C)C	2250477996	DKFAVFLCQUZFAU-FXUDXRNXSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(O)C1CCC1	2250494155	UYIUFGKPCUZDIN-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)CCC1CC1	2250522837	INHMHLGUBYYWKY-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](C[C@]12CCCC[C@@H]1CC2)NCC	2251218963	URVGPUFMGMFNGG-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](CCC1CC(C)C1)NCC	2251758031	VVJPMWYECVNXHX-HBSNNGBZSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CC[C@H]2CCCCC23CC3)C1	2253799928	FVYLAQLLSOOTCL-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCCN1CC[C@H]1CCCCC12CC2	2253853108	JVBZRJAMUHMLTI-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2(CN)CC3(CCC3)C2)C1	2253938004	KKKFLRKFRKGEEF-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN[C@H]1CCC12CCCCC2	2254504242	SMGGAPYDSOMOQJ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C=O)c(C)n1C(C(C)(C)C)C(C)(C)C	2255419924	CJZDDAMNYYPYHI-UHFFFAOYSA-N	249.398	4.551	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCCCC[C@H]1C[C@@H]1C	2257288446	HFEXXXRHEMHZRX-ZOBUZTSGSA-N	245.410	4.601	0	10	BJAE	
Cc1cc(N[C@@H](C)[C@@H]2CC23CCC3)cc(C)c1C	2258232383	BPIJOSUPLFRFHQ-HOCLYGCPSA-N	243.394	4.602	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@]23CCC[C@H]2CC3)C1	2260568115	SFVSDCCBSKCNRF-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)C[C@@H]2CC23CCC3)C1	2261183104	ZIGKIUUMGMMGCP-JXQTWKCFSA-N	248.410	4.598	0	10	BJAE	
CC1CC(CCC(=O)C[C@H]2CC23CCCCC3)C1	2261505124	DZJLRUWNXNISIO-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CC(=CC[C@H](O)CC1CCC1)CCCC(C)C	2300934013	IGYXVBBINRMYQL-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(N)CC1CCCCCC1	2301146229	WVHWDPAKVOOANX-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC1CCCCCC1)NCC	2301245132	SSUGOVAISYEMTD-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCN[C@H]([C@H](C)[C@H](C)C(C)C)C(C)(C)C(C)C	2301865934	BSGSBJUVGRWVHY-RBSFLKMASA-N	241.463	4.575	0	10	BJAE	
CCC[C@]1([C@@H](C)[C@@H](C)C(C)C)CCCCCN1	2301909507	DFYPBIMIGGELOX-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(F)cc1NCC1(C)CCC1	2301916099	YQGVMJBXLFMVMH-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1CC[C@@H](C)[C@@H](C)N1	2302684411	CQFGNNZPXGOPFZ-WCVJEAGWSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC[C@H]1CCC(C)(C)C1)NCC	2302747569	FLJZBBDCBJUGRE-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC(=O)CC1CCCC1	2303474945	IRISUCDXUMQEDF-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CCC(C)=C(C)C1	2303516489	OTQQJJTYBRHAJX-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@](C)(O)[C@H](C)C(C)C)CC1	2303530358	CDOKTLHOVNYNLD-BZUAXINKSA-N	238.415	4.556	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C[C@@H]2CC2(C)C)CC1	2303582016	DALRXYJRDXEURH-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)C[C@H]1CCC(C)=C(C)C1	2303602473	VYTZZUAGXNAMSM-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](CC)CC[C@H](O)c1cccc(C)c1	2307818908	GRTPRDHSTSFRKK-HOCLYGCPSA-N	234.383	4.635	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCN[C@H](C(C)(C)C)C1	2307822810	NUDQLYLYPJPCFS-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC[C@H]1CNC(C)C	2307827320	WVJZSBFFGKFGQI-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](C)[C@H](C)CNCC(C)C	2307911633	WXAKWPBQLWRODU-XHSDSOJGSA-N	241.463	4.721	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CC[C@@]23CCC[C@@H]2C3)C1	2310373593	CNBDJHCOAOWOTI-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](C[C@@H]2C[C@H]2C2CCCCCC2)C1	2311807201	XGBPHYAZVRVZBQ-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@]12CCCC[C@@H]1CC2	2313290654	GVABDTGEJDVONE-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC[C@H]1Nc2ccccc2C[C@@H]1C	2316270408	FADOTQUCYRGEDI-XJKSGUPXSA-N	245.410	4.876	0	10	BJAE	
C[C@@H]1C[C@H]1NC(C1CCCCC1)C1CCCCC1	2316360535	NUMWCQDRLIEDNU-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1C[C@H]2CCCC[C@@H]21	2316534467	BZMPUJXTUWEODL-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CC1CCCCCC1	2316879623	GFCAIMVXAHCVHW-BHYGNILZSA-N	249.442	4.667	0	10	BJAE	
OC1(CCCC2=CCCCC2)CCC2(CC1)CC2	2318584350	ZNFXNDYLOMZNHQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1cccc(C2CCC2)c1	2320650994	AKYPZXIWNCDUND-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CCCCCCc1ccc(C2(N)CCCC2)cc1	2327901430	YUEATHDZZMCYDX-UHFFFAOYSA-N	245.410	4.537	0	10	BJAE	
CCCc1ccccc1[C@@H](N)C[C@@H](CC)CCC	2328269553	RKZXKTVMNIKGQZ-YOEHRIQHSA-N	247.426	4.855	0	10	BJAE	
CC(C)C[C@H](C)Nc1ccc(C(C)C)cc1	19993844	PGFQZEWJSIZAQV-ZDUSSCGKSA-N	219.372	4.657	0	10	BJAE	
CCc1ccc(N[C@@H](CC)c2cccs2)cc1	21009890	FIZOJPZYXSQVBV-AWEZNQCLSA-N	245.391	4.874	0	10	BJAE	
CC[C@@H](Nc1cc(F)ccc1F)c1ccccc1	21517568	VRMOGLXLVFHSCQ-CQSZACIVSA-N	247.288	4.528	0	10	BJAE	
CCCCC[C@H](NC)c1ccc(C(C)C)cc1	36819927	AFLTULDJFIPCDW-INIZCTEOSA-N	233.399	4.651	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)c1ccc(C)s1	50326734	SIEYODVNKGRLNZ-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CCCC[C@H](C)Nc1c(C)cc(C)cc1C	71104427	VVMGLNRESKRSKM-AWEZNQCLSA-N	219.372	4.602	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@H]1CCC[C@H](CC)C1	71156033	GKZDDKFCXYRDIL-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NCCC2CCCC2)cc1Cl	78526220	NYPJZQFYLXSVJH-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2cccc(Cl)c2)[C@@H]1C	82857284	NCPWXCDYIKTKJQ-GYSYKLTISA-N	237.774	4.577	0	10	BJAE	
CCCC[C@@H](CC)COc1cccc(CC)c1	85150926	QWHABUAPGVMKOI-OAHLLOKOSA-N	234.383	4.844	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)CCNC(C)C	87950352	GHOJDMRSLZZLKY-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCCC(=O)c1ccc(C(C)(C)CC)cc1	90482175	MUOGSHBKDOFDQO-UHFFFAOYSA-N	232.367	4.747	0	10	BJAE	
CCC(CC)n1nc(-c2ccccc2)cc1Cl	91584997	FBGNKDAXMKLPAY-UHFFFAOYSA-N	248.757	4.565	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)c1ccccc1	103930944	AXZDFQZLZYDLPK-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)c1ccc(C)o1	104020416	UKUZQGQXJMQUOI-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)C[C@@H]1CCC(C)(C)C	109661701	GPNSSFNANYWDOB-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC1(CNCC)CCCC1	110201360	NEQRLPWXWKMCPE-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCCCCCC(=O)c1ccccc1OCCC	122512967	RUGLVCHXGZYYRV-UHFFFAOYSA-N	248.366	4.629	0	10	BJAE	
CCc1cc(-c2cccc3ccccc23)ccc1N	148365362	DJKRKJCIDWYRRJ-UHFFFAOYSA-N	247.341	4.651	0	10	BJAE	
Cc1ccc(N[C@H]2CCC(C)(C)C[C@@H]2C)cc1F	155827896	GHJORRBSNWUDHP-WFASDCNBSA-N	249.373	4.761	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@@H]2CCC[C@@H](C)CC2)c1	160143802	SAOPVHSNMUCCQI-FRFSOERESA-N	245.410	4.614	0	10	BJAE	
Cc1cc(C)c([C@H](N)CC2=CCCCC2)cc1C	161217824	XCEAMFJDIUEAPO-QGZVFWFLSA-N	243.394	4.502	0	10	BJAE	
CCc1ccc([C@@H](O)CC2CCCCCC2)cc1	162139585	ITKLFGAZTFDLRX-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)C1(CC)CCCC1	162156265	BLXNFAJHGKVQJZ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1CCC[C@@H]1CC	164106418	LZBQWQJIZATRSU-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@]1(N)CC[C@H](C)c2ccccc21	165693226	XKQMUNQBKRCHGB-WMLDXEAASA-N	245.410	4.564	0	10	BJAE	
CCN[C@@H](CC(C)C)c1cccc(CC(C)C)c1	165733645	VVEKJXKCVBXYNG-KRWDZBQOSA-N	247.426	4.582	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)CCC(C)(C)C	211978620	QRWJWYNSQOTFNT-LCYFTJDESA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)C[C@@H](C)CC[C@@H]1C	221773082	CVAKCHBNBUTKJR-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CC1CCCC1	228739420	OGVIDNDBUUMRCU-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC(CC)CC)CC1CCCC1	229160462	HNOFJQNSAYFXFQ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCC(=O)c1csc2ccccc12	229452435	PVTONXCKCMDOFY-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CCCc1ccc(-c2ccc(N)cc2Cl)cc1	232181754	ZLJLVQLKLIEOGD-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C1(C)CCCCC1	233129227	KTQVMUYAEGGTJG-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@H](O)c1ccc([C@H](C)CC)cc1	251247854	BKUHSENXJWDQAH-WWGRRREGSA-N	234.383	4.670	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](CC)C[C@@H](C)CC	251965428	WBULGGVGHFQDNF-ZQDZILKHSA-N	227.436	4.616	0	10	BJAE	
CC[C@H](NCCCC(C)(C)C)c1ccccc1	302246011	AOLZVMPTEZPAJI-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1CCCCCCC1	302330185	SGNPZPLLJDMZCA-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CC(C)C[C@H](C)Oc1ccc(C(C)(C)C)cc1	302518222	DGTPPKJZVWTERL-ZDUSSCGKSA-N	234.383	4.798	0	10	BJAE	
Fc1sc2c(C(F)F)cccc2c1Cl	306652459	TYSLKHDSMYAMED-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
Cc1cc2c(Cl)c(Cl)ccc2s1	307468864	MNZIAEOOYWNKES-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](NC)C1CCCCC1	308054708	PAKSNQUKDBKKAF-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)c1cc2ccccc2o1	308071024	RNGXZJZLCVDESF-MLGOLLRUSA-N	245.366	4.505	0	10	BJAE	
CN[C@@H](CC[C@@H](C)C1CCCCC1)CC(C)C	310378467	AMOAIXZLAYZKDN-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(O)CCCC12CCCCC2	313042900	MFPSBXSYKHWANW-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@@]1(CNC2CC2)CCCC[C@H]1C	317538414	CXFAKXUOYKCPDE-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(CC)(CC)CNC(C)(C)C	319474087	WXHODAYGGUJBLH-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H]([C@H](CC)CC(C)C)[C@H](C)C(C)C	319604987	XSUHOEXXZCVTDF-OAGGEKHMSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1ccc(C(C)C)cc1	319782125	HBTOBGYIQNKXPL-STQMWFEESA-N	232.367	4.675	0	10	BJAE	
CCCN[C@H]([C@H]1CC[C@H](CC)CC1)[C@@H](C)CC	328357488	RWPLVDQYVCIWEL-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1C=CCCCCC1	383095948	AFZYYYWSTJNRBG-HZPDHXFCSA-N	237.431	4.824	0	10	BJAE	
CN[C@H](CCCCCC(C)C)C1(C)CCCC1	383269610	NEVOFKFPNIBNPF-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCCCC1=O	383347588	CUMGXGRWEOUHDH-AWEZNQCLSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@@H](C)C1CCCCC1	383749241	DOLJCKADBDIBRO-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H]2CC23CCCC3)CC1	386934450	SFYZNRCNAPLUHP-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C2(C)CCCCCC2)c1	394656523	IIZFHZZIYOJHRU-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CC1(CNC(C)(C)C(C)(C)C)CCCCCC1	394660252	RSTTXLNUIICOSH-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(N[C@H](CC)[C@@H]2CC2(C)C)ccc1C	397650461	IPNTVHJVXLQHKI-JKSUJKDBSA-N	245.410	4.794	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@@H](C)C1CCC1)NC	398695817	IDTYZAXFJFRTIV-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@]1(CC2=CCCC2)CCC[C@H](CC)C1	401070132	JDFSWXNIKAPGRI-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1cccc(C)c1C	401596176	VULKMCKTHTYADO-JKSUJKDBSA-N	245.410	4.932	0	10	BJAE	
C[C@@H]1C[C@@H](CCCC2CC2)Nc2ccccc21	406088426	BERGDQUPLXEIJE-TZMCWYRMSA-N	229.367	4.555	0	10	BJAE	
Cc1cc(Cl)ccc1-c1nc(C2CC2)cs1	686197687	XWNOAIACJQNIIF-UHFFFAOYSA-N	249.766	4.649	0	10	BJAE	
C[C@H]1C[C@H](CCCC2CCC2)Nc2ccccc21	688373953	JONHOEDJUVYTES-ZFWWWQNUSA-N	243.394	4.945	0	10	BJAE	
c1cc(NCCCC2CCC2)cc(C2CC2)c1	688405586	NXHVHHWASKFJGZ-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@H](C)C(C)(C)C	688408845	VYNBMWIXBQKDEQ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H](C)CC(F)F	688767665	GLEQGTWZPRXTGQ-NSHDSACASA-N	241.325	4.513	0	10	BJAE	
CC(C)c1cccc([C@@H](O)CCC(C)(C)C)c1	688936767	DMMCJVNGHXAKPA-HNNXBMFYSA-N	234.383	4.670	0	10	BJAE	
CCC1CCC([C@](C)(O)CC2CCCC2)CC1	689767926	PUKAJXGILPHVSS-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(Nc2cccc(C3CC3)c2)CC1	690076554	OBKPAPPTZDJMKD-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CCC(C)(C)CC[C@H]1CC[C@@H]1CNC(C)(C)C	696805226	HAAZICIMAZFWOW-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccc(CC(C)C)cc1	697293101	VUAYBOJQYNUQGH-INIZCTEOSA-N	248.410	4.745	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H]1C[C@@H]1C(C)(C)C	699813590	UEMZYKCNMAIARL-GJZGRUSLSA-N	244.378	4.504	0	10	BJAE	
CCC(C)(CC)C(C)(C)[C@H]1CC[C@@H](C)CC1=O	701320247	ZTJWMRJDZSFOHC-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CCC(C)(C)C[C@@H]1C	704474874	UYUMQWDJWBRPQU-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@H]1CCCC[C@H]1C	704931407	BQELPEZCJAHRMM-MFKMUULPSA-N	238.758	4.606	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H]2CCCC23CC3)CC1	706956757	NEYKBTAKOWFRSF-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NC1CCC2(CC1)CC2)C1CCCCCC1	710170933	HNAPOIYXFMFUIR-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(Cl)ccc1OC[C@@H](C)C(C)(C)C	711117118	AVTPBXWHXDOPCQ-LLVKDONJSA-N	240.774	4.709	0	10	BJAE	
CCN[C@H](CC(C)(C)C(C)C)[C@@H](C)CC(C)C	713143599	NJTMCLQFPZTIBN-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CC(C)(C)CC)CC1	713242326	ILOFWFDYLPDXMV-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)C1CCC(C)(C)CC1	713266856	MBBOFBPBLHMMMW-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3CCCC[C@H]32)CC1	714313804	UEGAYZKHLOMNMM-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
NCC1(CC[C@@H]2C[C@H]2C2CC2)CCCCCCC1	714884530	VUKIGMRQVFQCTC-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC[C@@H]([C@H]2C=CCCCCC2)C(=O)C1	717536898	XVKYZTOSHDYGFD-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC(C)=C(C)CC[C@@H](CO)C1CCCCCC1	718567828	SVGAUXSDCVHCFG-INIZCTEOSA-N	238.415	4.702	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CC(C)(C)C	718575497	ZPSCNBLMADQMBZ-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCCCC1(C)C)C1CC1	719189569	NFBVQJCSGNLHGZ-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CN[C@H](CC1=CCCCC1)c1c(C)csc1C	724941900	ULUAUKDUFDHWMD-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@H]1CCCC(C)(C)C1	1199053280	VXGXZKVMMHOZMQ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@H](SC/C=C/Cl)c1ccc(Cl)cc1	1640885878	AFFIUTZRMZJILD-NOKZVFQSSA-N	247.190	4.887	0	10	BJAE	
CCC(C)(C)CCNCc1cccc(C(C)C)c1	1663032492	XSNGUBNCOZZPDJ-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@H](CC)CC[C@]1(C)CCCCN1	1902204420	OIVAHZQSQPKTMA-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@]1(C)CC=CCC1	1905313019	WTGMLRSOAMGMCL-HIFRSBDPSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)CCCCC1CC1	1905381809	LWVPUQQBVCPRLT-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1ccc(CC)s1	1905445597	QQUAWTULRPXCOM-YPMHNXCESA-N	239.428	4.527	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CCC(C)(C)CC1=O	1905448367	YLKNXLSXDQLSLH-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC=CC[C@@H](C)c1cc(CC)ccc1CC	1911865187	DDZVOPFAKHNXBT-CYBMUJFWSA-N	216.368	4.881	0	10	BJAE	
CCC=CCN[C@@H](CCCC)c1ccc(F)cc1	1911974519	BMSSICHSORUPGA-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
C=CC=CCC[C@@H](CC1CCCCC1)NCCC	1912096259	VNKXDPKFVSCGGO-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
Cc1ccc(F)c(NC2CC3(CCCCC3)C2)c1	1912710011	DPPLEXSLGMMCCT-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCCC12CCC2	1921603526	NSEXOIPZUVSFDQ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CCCC23CCC3)CC1	1921610666	PGOAGKNABWLZNF-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@@H](C)C1CCCCC1	1924079500	WFLZMXYPJREWGT-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1[C@H]2CCCC[C@H]21)C1CCCCC1	1924099094	QFGTUMZEBWWFCP-ARLBYUKCSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCC[C@H](CC)CC1	1926160013	RXBUEWUWGPBFQL-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C(=O)c1sccc1Cl)C(C)C	1927985978	JAFVLWMTGTVYNJ-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
CC(C)=C(C)CCc1ccc(F)cc1Cl	1933437741	YYSUBTGAGXRLBF-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
Cc1cc(C(=O)[C@@H](CC(C)C)C(C)C)cs1	1936209749	RHOFRBSRQCWDGX-ZDUSSCGKSA-N	238.396	4.558	0	10	BJAE	
CC(C)c1ccccc1NCC[Si](C)(C)C	1936252771	ZTRVINATXAPHJG-UHFFFAOYSA-N	235.447	4.560	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](C)c2cccc(N)c2)C1	1940976678	OLKPFSPTAVECGJ-MJBXVCDLSA-N	231.383	4.589	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@@H]1CC=CCC1)C(C)C	1941270994	AKOATVVVFLTOGD-CABCVRRESA-N	236.399	4.620	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)CCCCCC1CC1	1941581554	MCYUWSNKEYNHJV-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@H](CCC)CC1C[C@H](C)C[C@@H](C)C1	1944204750	RTPDHMDRIUNCNT-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1cccc2sccc12)[C@H](C)CC	1945970253	MIMLWLBSECCFPJ-ABAIWWIYSA-N	247.407	4.598	0	10	BJAE	
CCC(F)(F)CC[C@H](N)C[C@H](C)CC(C)(C)C	1947993067	KKLDCCWMLJSSAU-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)[C@H](C)CC(C)C	1948325066	DVBSJYIJXJTKES-OWCLPIDISA-N	241.463	4.993	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NC1CC2(CCCC2)C1	1948476763	XQFQBQAVYPPBPP-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)C[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	1948584113	CIIPVONONKCPHK-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C[C@H]1CCC2(CCCC2)C1)NC	1949550310	CHZNAYPWDACXNS-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC(=O)CC2CCCC2)C1	1949861861	KDIAHDMUIRSWFP-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CC(=O)CC1CCCCC1	1949907249	LZLZTXPJYNITRN-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
Cc1cccc(NC2C[C@@H]3CCC[C@H]3C2)c1Cl	1950292369	FUIASIYYVPRXLQ-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CC(C)C[C@@]1(CNC(C)C)CCC[C@H](C)CC1	1950922566	BIABAUVTKUOBRM-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C1(CC)CCC1	1951235735	YMGPVWFZKCWPAU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](NC1CC(CC)(CC)C1)C1CCC1	1963227368	MRTGXJQSRHSXHA-HNNXBMFYSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CCC3(CCC3)CC2)C1	1965979358	ZYJQJZNLPMWRRZ-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](NCCCCCC1CC1)c1ccccc1	1966182935	JPJRQAQTVJKCRS-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
Cc1cccc(NCC2CC(C(C)(C)C)C2)c1C	1968254374	GDCYSXXRONGIFQ-UHFFFAOYSA-N	245.410	4.788	0	10	BJAE	
Cc1ccc(NC2C[C@@H]3CCCC[C@H]3C2)cc1F	1968320124	ICVSALBITAVKGM-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
CN(CCCC(C)(C)C)[C@H]1CCCCC1(C)C	1970178912	LJBNMHJCSVDLOH-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)N(Cc1ccc(C)cc1)CC(C)C	1971359487	UMUSFQNDLDDFAU-UHFFFAOYSA-N	247.426	4.642	0	10	BJAE	
CCC(CC)C[C@](O)(CC)C1CCCCC1	1975955477	ATUCKLQFYOZXAR-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H]1CCCCCCCC1=O	1980317992	ULKJINRWNKWXHM-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@@H]1CCCCCCCC1=O	1980318522	CAIXSLXRUOTPDC-AWEZNQCLSA-N	224.388	4.742	0	10	BJAE	
CC(C)c1cnc([C@H]2CCCCC2(C)C)s1	1981851502	WPHZUVUGWDHYGJ-LLVKDONJSA-N	237.412	4.950	0	10	BJAE	
CC[C@](O)(CCCC(C)(C)C)CCC(C)C	1986944349	QBMHDUFYEBAQDT-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H](C)C(C)(C)C	1988779599	AMDLJVWMKPVBSJ-HIFRSBDPSA-N	225.420	4.523	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)C(CC)(CC)CC	1989669098	WPQLVIMTLJDREW-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
C1=C[C@@H](Cc2ccc(-c3cccs3)s2)CC1	1994872647	JAMZZNDJHGGECG-LLVKDONJSA-N	246.400	4.985	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@H](C)CCC	1995260380	VPICHRXLZLCFMK-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCC1CCC1	1995262898	PQKJAKCMPWNZGL-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC[C@](N)(C[C@H]1CC[C@H](C)C1)C1CCCCC1	1996594347	LOAMGPMNZPUKLF-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCNC[C@H]1CCC[C@@H](C)CC1	1997102788	FIVPKHUZSBFXTA-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)C1CC(C(=O)CCCC2CCC2)C1	1998234319	GXEZCNQDUKKARG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@H]1CCCC(C)(C)C1	2000052691	XJRCVZAKDCZXKA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)C1CCCCCC1	2000294170	ZWTWRFIDKBYWLT-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)C1(CCC)CCC1	2000376522	NNXILNUNTZTRNG-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@@H]1CC[C@H](C)C1	2000508943	MXLJZWUCFQMUTO-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)NC1CC2(CCCCCC2)C1	2000673147	RDIYCRQLXXAIIW-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H]1CC12CCCC2	2001211828	VCNZCKPERRDRHY-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CC12CCCCC2	2001272528	DOPJYALYERURPM-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCCC(=O)C1[C@@H]2CCCCC[C@@H]12	2002150932	IHLDHKWRIGUIAG-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(O)CCCC2(C)CC2)C1	2002998099	IWMJJQYLEOHGDF-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
C[C@H](Nc1ccccc1)[C@H]1CCCC(C)(C)C1	2003015123	DAAVEPMIXPZGPU-KBPBESRZSA-N	231.383	4.703	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCCCC[C@@H]1N	2003101788	VPLHILQDRUYZSR-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)[C@H](NC)C1(C)CCCCCCC1	2004921866	AVNBTQGGGCMBLA-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)Nc1ccc(CF)cc1	2007022094	FNTQWSZBNBLUMG-QWHCGFSZSA-N	237.362	4.639	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1CCC[C@H]1C(C)C	2007622576	MYAMHYQTTLIWGW-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CCC1CC(C[C@H](O)CCC2CCCCC2)C1	2007752351	SCTIXMIGEHYVMW-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCC1CC(C[C@]2(O)CCCCCC2(C)C)C1	2007760025	NSYQJUUZGIANEB-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1CC(C2CC2)C1	2007765953	PDXJUHIFGUYOJR-JVWICGRDSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCOc1cc(C(C)C)ccc1C	2009577765	NBQOBIJRXRMROU-UHFFFAOYSA-N	232.367	4.854	0	10	BJAE	
CC=CCCC[C@H](O)c1cc2ccccc2s1	2009594004	SHHRNBLNWXVRLO-ZDUSSCGKSA-N	246.375	4.681	0	10	BJAE	
C/C=C/CCC[C@H](N)C(C)(C)C1CCCCC1	2009629230	QFPYPRQZOAFCMR-RGDDUWESSA-N	237.431	4.667	0	10	BJAE	
CCCC(C)(C)C(=O)CC1C[C@H]2CCC[C@@H]2C1	2012002506	OAFWQILMJKOBTN-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)[C@H]1CCCC(C)(C)CC1	2015276737	AOSFSRBITYCOEX-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)[C@H](CCC(C(C)C)C(C)C)NC	2015342881	ABPORGAGHKQELE-HOCLYGCPSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CCC(=O)[C@@H]1C=CCCC1)C(C)C	2015389786	ARZWGHYATVRZQU-CQSZACIVSA-N	236.399	4.620	0	10	BJAE	
CCCC1(C[C@@]2(CN)CC[C@@H](CC)C2)CCC1	2015645287	SHAMDTWEBPYQKH-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC(C)CCCCC[C@H](O)C1(CC2CC2)CC1	2015754250	BRNSMWOAWBSXOZ-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1(C)CC(C)(C)C1	2016135439	FWMLFFVXXLLKLP-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CC1CCC(C)(C)CC1	2017795332	ZZWWKQMGHZZKHZ-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1CCC[C@@H](C)C1	2018128452	ARBVCOMZDFMKBF-OWCLPIDISA-N	239.447	4.891	0	10	BJAE	
CCCCCCN(C)[C@H](C)[C@@H]1CCC[C@@H](C)C1	2019292408	XNLHSEPTZYHKEJ-BZUAXINKSA-N	239.447	4.713	0	10	BJAE	
CCC1(CN(C)CCCCCC(C)C)CCC1	2019340075	JKNNDNOOVJCOBQ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(O)CCCCCC1(C)C	2022453715	IMABALFQNSTLMO-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1C[C@H]1C[C@H](N)C1CCCCCCC1	2022562611	KAPRBTDSMVLXJT-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C[C@H]2CC2(C)C)C1	2024102977	XULFZJNQCAPZQC-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCCNC12CCCCC2	2024622699	VCOXXKPBWCFHAT-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC(C)(C)C1(C)C	2025062701	UIDSLJOGVDOMJE-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1CCC(N[C@]23CCCC[C@@H]2C3)CC1	2026961550	RQVMZPUFIJQSIB-BJDYSFLHSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccccc1C1(C)CC1	2028550731	YPKKTTMSEPTVOI-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CN[C@H](CCCCCC1CC1)c1cc(C)oc1C	2028633329	HRUGRIZJVDXNJS-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
CC1(CCCNC[C@]23CCCC[C@@H]2CCC3)CC1	2031788486	JBCCPXGTELUTQG-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
O=C(CCC1=CCCCC1)C1C[C@H]2CC[C@H](C1)C2	2033095992	HPMDABXPLOUXSW-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CNCC1(C[C@H]2C=CCCC2)CCC(C)(C)CC1	2035596724	AIDNHAJTJBXYOR-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2036317733	HFYLMCOCGBRBHD-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](n2ccnc2C2CCCC2)C1	2036775357	DMKGXYDSZOSTAQ-HIFRSBDPSA-N	246.398	4.682	0	10	BJAE	
CCC[C@](N)(CC1(CC)CCC1)c1ccccc1	2037104136	XKYXVMVVWIFQNB-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
CC(C)(CC[C@](C)(N)[C@@]12CCCC[C@H]1C2)C1CC1	2037159400	NROOYKRFJDWMCA-BHYGNILZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CCC([C@@H](N)[C@@H]2CC=CCC2)CC1	2037198500	ONVUQHXAMASSTR-LMPOIIKSSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CC1CC2(CCC2)C1	2038084573	BDQBPGQEMXXBOA-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)c2cccc(C)c2)CC1	2041373333	TWWNJRVYTBTEES-HLLBOEOZSA-N	245.410	4.601	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1(C2CC2)CCCCC1	2042948935	ONUIZZCMYWJGGC-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC=CCCC1)C1CCCC1	2045323726	OQLCCQHGSNBBMA-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]1CN1CCCC12CCCCCC2	2046562065	NNOWQTLPAHOQGJ-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@H]1CC12CCCCC2	2047006798	DJJXSAQTBADXRX-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(CCNC[C@H]2CCC23CCC3)CC1	2047957491	AIYSNEPYRXWWIV-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@@H]1[C@H]2CCCCCCC[C@H]2C12CCC2	2049671820	HKYDJDNRLKOHDY-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@@H]1CCC2(CC2)C1	2049844637	CEEKTVUUZNMYFA-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2051611436	DWGZOWKFKJKEDH-ZXDRNQKISA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(N[C@H]2C[C@H]3CC[C@H](C3)C2)CC1	2051659048	FKSHMWZSXICOPL-ZVTHOSHGSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)[C@@]1(CNC2CC2)CCCCC12CC2	2053353267	ANERFCGMJZWMAJ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(CC2CCC2)CCCCC12CC2	2053354923	HJGDKBFGEOISNI-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H]1CCCCC12CC2	2053355084	HNIKQFNKNHLXAH-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCCNC[C@]1(C2CC=CC2)CCC[C@@H](CC)C1	2053695325	SQRYNQIDWGJNKP-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C1CC=CC1)C1(C)CCC(C)(C)CC1	2056551179	CLVUQJUFAYIFFN-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
c1cc(C2CCC2)ccc1NC1CC(C2CC2)C1	2056693819	OOUCXSBHCJXNKS-UHFFFAOYSA-N	241.378	4.555	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H]([C@H]2CCC3(CCCC3)C2)CC1	2059003645	PRYGBNQJJDEKIK-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@H]1CC12CCCCC2	2059184213	QTJIITMMSZULTN-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(CCC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	2059243372	OXLFHQRZTBLHBU-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC=C([C@]2(N)CCCC23CCCCC3)CC1	2060905980	NHOFLOVAVWBQOK-RHSMWYFYSA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)C2CCCCCC2)CC1	2061089113	RCNKEQLULJGADF-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CCCc1ccc(NCC[C@@]23CCC[C@H]2C3)cc1	2061571923	NNHIGPLSKCUOBS-DOTOQJQBSA-N	243.394	4.631	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)C[C@@]23CCC[C@H]2C3)C1	2061602356	MXDIBSXNAJBQIT-CLBVLKOUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C[C@H](N)[C@@H]1CCC2(CC2)C1)C1CCCCC1	2062793112	CIJOQQSGCCDRHI-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063516088	NIQBDBIQDSPQJT-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C=C=CCCC1(O)CCC2(CCCCCC2)CC1	2065888905	ZKIOFVOIBQIIKX-UHFFFAOYSA-N	248.410	4.753	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cccc(C(C)C)n1	2066381997	YIEKNODXACMLDB-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CCC1(C)C	2068230761	SEHQYNIIKUVWPO-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2C[C@@H]3CC[C@H]3C2)CC1	2068712692	GUUBQSSTQSVAGG-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H]2CNC3(CCCCC3)C2)CCC1	2069342476	PCRGWGLFMSYVGS-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
NC1(C[C@]23CCC[C@@H]2C3)CCCCCCCCC1	2070959486	POHAQHSBFQMCOH-HZPDHXFCSA-N	249.442	4.789	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CCC3(CCC3)NC2)CCC1	2071948266	DKYMZYNSZXPCNF-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC(C)=C(C)C)c1cccc(F)c1	2072430184	WQJFMBHNYHORIE-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C[C@H]2CC23CCC3)CC1	2072704206	JUZXFDQGMIQPBN-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc2c(c1)CCC2	2073342144	OHOLOTHRXLXILP-INIZCTEOSA-N	245.410	4.946	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)C1CC2(CCCC2)C1	2074649583	VJVQIRHBTIFAQK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2C=CCCCC2)CCC1(C)C	2075364966	JJWBPXHRNZQTMO-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CCC1)[C@@H]1CC1(C)C	2077263642	AIJATHUPWMQJQD-DOMZBBRYSA-N	243.394	4.801	0	10	BJAE	
CCCCC1CC(N[C@@H]2C[C@@H]2C2CCCCC2)C1	2079531734	SGNRHSRRDLRDTL-OKEQZYBDSA-N	249.442	4.514	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@@H]2C2CCCCCC2)CCC1	2079640829	DRGBEBJTNGCTSN-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1(C[C@H]2C[C@@H]2CCC)CC=CCC1	2079669646	ICKUXYQGIXFMBV-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)c1ccc(C2CC2)cc1	2079852776	SAOWTJJYNVNAOI-HZPDHXFCSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2079859448	BMYGLGAMMPPYHA-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1=CCCCCCC1)C1CCCCC1	2214777826	UCWJGJCKGFNCPK-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CC1=CCCC1	2215001561	SKQQKTLIHALYDL-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)c1ccc2sccc2c1	2215114065	OMGRSDMBTHTFHT-GHMZBOCLSA-N	244.359	4.520	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCC[C@H](C(C)(C)C)C1	2216254917	AQVNNSGUUZGUPV-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CCCCCCCC1CC1)C1(C)CC1	2216877517	NCPPNEKWWXJCBJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@H](CCCC(C)C)C(C)(C)C	2217124094	DORAKODSBPFXCH-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@](C)(CN[C@H](C)CC)C1CC1	2217144078	CRBTTYLMJSEJKO-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H](C)c1ccoc1	2217243140	VOLWATLRWWAVEC-JTQLQIEISA-N	249.741	4.669	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218337800	ZIWVBXFGRUWFSP-CFAJVAMVSA-N	248.410	4.598	0	10	BJAE	
Fc1ccc(CC/C=C/c2ccccc2)cc1F	2219077483	CYHXXKIJKFBSHB-XBXARRHUSA-N	244.284	4.611	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@H]1CCC12CCC2	2220043571	APPUEYFFGGWTEQ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@@H](N)C2CCCCC2)CC2(CCC2)C1	2221087030	XZULNXDAGQFLOV-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@@]1(C)CC=C(C)CC1	2221614229	UUAAVZGQRBFCPR-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCCCC[C@@]1(CNC2CCC2)CCCC12CC2	2223607091	SGINOJZNKLIKDH-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CC(C)=C(C)CCc1csc(C)c1C	2241233627	ANKHQUUGVLRYNR-UHFFFAOYSA-N	208.370	4.654	0	10	BJAE	
COc1cccc(CCC(C)=C(C)C)c1Cl	2243586292	NYYSZIGGKAVKFO-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1csc(C(F)F)c1	2244767831	PTMUWBVHEVNPIA-KCJUWKMLSA-N	247.354	4.512	0	10	BJAE	
ClC=CCNc1cccc(C2CCCC2)c1	2245226032	VVKUGZYTQDDKOU-UHFFFAOYSA-N	235.758	4.509	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC1(C)CC(C)C1	2246524922	NHVNVGABHQOMOE-KNIAUWFNSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@](C)(O)CC[C@H]1CCCCC12CC2	2246641667	GZENRAMSMUWLDH-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CCN(C)CC[C@@H]1CCC[C@H](C)C1	2246678266	HUSGLALYYIACLM-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
CCCC(C)(C)C(=O)c1cc2ccccc2s1	2246907704	MXDQDXCOGUKNHH-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CCNCC(CC)(CC)CCCC[C@H]1C[C@@H]1C	2247164934	KRTDBIJBYDXNBW-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C[C@@H](C)C(C)(C)C	2247175541	JRTHACUWJOMZSF-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CCCC[C@H]1C[C@H]1C	2247176077	NAAVAIJXVZURIZ-FXUDXRNXSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)c1cc(C)c2sccc2c1	2248568240	NPWCYMVJCNAGPL-QMTHXVAHSA-N	248.391	4.679	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCCC1(O)CC(C)(C)C1	2248824077	WRQSIBMYEKBIFC-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@H]1CC[C@H](CC)CC1	2250357449	IFXCVCXXTUBUBC-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC[C@@H]1CC1(C)C)NCC	2250369687	VXXSSYNLRAOKNE-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](N)(CC)CC1CC2(CC(C)C2)C1	2250447599	HMSCVYVPSDZLPS-AUSYRVNMSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1CC[C@@H]1CC[C@@H](C)CCCC(C)C	2250478510	JUHAVLHUCKRAQF-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](N)CC[C@@H](C)CCCC(C)C	2250479215	RFORYVNCZJCERH-LSDHHAIUSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)c1ccco1	2250488452	NDCDYPAMHDXTDR-KGLIPLIRSA-N	237.387	4.522	0	10	BJAE	
C[C@@](N)(CC[C@@H]1CCCCC12CC2)CC1CCC1	2253849743	CVRXJQKMVGZCES-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1(N)C[C@H]2CCC[C@@H](C2)C1	2254605345	MQLUOXIFXBZQNR-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(CNC(CCC)CCC)cc1	2256317003	HFEYWWFQKMAPAE-UHFFFAOYSA-N	247.426	4.698	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C1(C2CCC2)CC1	2257245895	CORPYIFNNJAIJS-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1C[C@@H]2CC[C@@H]2C1	2257249612	WTIFNYFQLFMIMV-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CC[C@@H]2CCC[C@H]2N1	2257302397	VOBHLVBAAGAEBY-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](CC)CNc1cccc(C2(C)CC2)c1	2259463342	MCFUYDDNWIOALS-AWEZNQCLSA-N	245.410	4.976	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@@]23CCCC[C@@H]2CC3)CC1	2260535880	DFQFUCHGDQVNPY-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
c1cc(NC[C@]23CCC[C@H]2CC3)cc(C2CC2)c1	2260578872	NXAHGARRUSCNFX-DOTOQJQBSA-N	241.378	4.556	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@]12CCCC[C@@H]1CC2	2260579566	RYQNTVJUSDNTQZ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@]12CCC[C@H]1CC2)C1CCCC1	2260602644	KUYXOWRMPWSCTD-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@H](N)C1(C2CC2)CCCC1	2300702995	ABODQXYSIWHXTQ-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C[C@@H]1C[C@H]1CC	2300705860	IUISNBWCRBCCLR-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CCC(=O)C1CC2(C1)CC(C)(C)C2	2300881265	RGDITEFKBLOKQB-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC(C)NC[C@H]([C@H](C)[C@@H](C)C(C)C)C(C)(C)C	2301830173	VPGLYHRWORJXNN-RRFJBIMHSA-N	241.463	4.575	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(N)[C@@H](C)C(C)C)CC1	2301946680	VROUMBKLDFGIDE-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)CCC2CCCC2)C1	2302675865	PJQCZYABSWNYND-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@](C)(O)CC(C)(C)C)CC1	2303528269	ZSSYELCCZLUMGD-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cccc(C(C)C)c1F	2307561652	UDWVYJBHZURIQL-NEPJUHHUSA-N	237.362	4.796	0	10	BJAE	
CCC[C@H](CC)CC1(O)CC(CC(C)(C)C)C1	2307835291	PIAFZWPDJSRJEB-HLIUYOAVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN)CCC[C@H](C)CC1	2307845369	TWDAPJJWZATHJO-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](NCC)c1ccco1	2307897926	GCNGTRDKNSHZFX-KGLIPLIRSA-N	237.387	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C[C@@]23CCCC[C@@H]2C3)C1	2311163180	AJIKWFFLKINILY-MPTYRVRUSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312956153	RYLVUFWWOUXZFY-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C[C@@H]1C[C@H]1C1CC1	2313030244	HJYUXNUQVHWGAC-CRNXPOROSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@@]12CCC[C@@H]1CC2	2313292523	QTBVCHSKCYBJMN-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCC1)N1CC[C@]12CCCC(C)(C)C2	2313612170	KWEJEWXKKMLPGM-PBHICJAKSA-N	249.442	4.610	0	10	BJAE	
CC(=CCc1nc(C)ccc1F)CCCC(C)C	2316491655	RPAYOQSHMWDHOD-UHFFFAOYSA-N	249.373	4.844	0	10	BJAE	
CC(=CCc1ncc(C)cc1F)CCCC(C)C	2316568952	BKDORRHDXBVWCA-UHFFFAOYSA-N	249.373	4.844	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@@H]1C[C@H]1C1CCCC1	2316876508	WDKMRTXIOQLXHR-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCCC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2317011103	UPWLZVJBNOPLOT-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H](C)[C@@H](C)C(C)C)cc1	2317829270	YDFPVXULVIWHEI-JJRVBVJISA-N	248.410	4.772	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)[C@H](C)[C@@H](C)C(C)C	2317987248	WVECAPLUBLGWBQ-UXLLHSPISA-N	247.426	4.574	0	10	BJAE	
C1=C(CCCNC2(C3CC3)CCCC2)CCCC1	2318549804	AETYFBLXEYGEPB-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C[C@]1([C@H](N)CCCC2=CCCCC2)CC=CCC1	2318573996	XMRXJOXVPQSYKB-SJORKVTESA-N	247.426	4.731	0	10	BJAE	
CC(C)C1([C@@H](N)CCCC2=CCCCC2)CCC1	2318598594	SAOYACMXGYQRKU-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(N)CCC2(CCC2)C1	2320243077	IHNURHLVYWOKFI-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@@H]2CCCC[C@@H]2C)CC1	2320336987	JMJLDIJMANRENN-RKTXRCNFSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@H]2C[C@H]2CC(C)C)CC1	2320396799	DYXGCSIGYGMZJV-NCOADZHNSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@H]2CCC[C@H]2C)c1	2320578384	QTQNPDOHEUHFTD-FRFSOERESA-N	246.394	4.670	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@H]3CCC(C)(C)C3)(C1)C2	2321645159	LPICANUYNWIVSS-IGEOTXOUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](CC)Cn1ccnc1C1CCCCC1	2328160227	UCAYACLTLXTTDX-AWEZNQCLSA-N	248.414	4.757	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H](CC)c1ccccc1	2328268410	HQFGKTYFYJPWDU-GOEBONIOSA-N	246.394	4.966	0	10	BJAE	
Cc1cccc(NC2[C@H](C)CCC[C@H]2C)c1C	21020307	ZHROPZIYGQEDAR-CHWSQXEVSA-N	231.383	4.540	0	10	BJAE	
CCCCCCN[C@H](C)c1ccc(Cl)s1	35286215	ARTGFVQISYNRAC-SNVBAGLBSA-N	245.819	4.632	0	10	BJAE	
CCCCC[C@H](NCC)c1cc(C)sc1C	35552131	KXRMQUMJWXNYMC-AWEZNQCLSA-N	239.428	4.596	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)CCCCC	36791949	AISFHOJUYLDPPX-KBPBESRZSA-N	213.409	4.514	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H](C)CC(C)(C)C)c(C)c1	36889565	QSPNHLQUXZBDEO-XJKSGUPXSA-N	247.426	4.766	0	10	BJAE	
CCC[C@H](C)N[C@@H](C)CC(C)(C)c1ccccc1	37189470	KGTSXAHOZPDFFW-GJZGRUSLSA-N	247.426	4.521	0	10	BJAE	
CCCC[C@H](CC)Nc1cccc2ncccc12	69370336	IVKXTVCMSQBYFR-ZDUSSCGKSA-N	242.366	4.616	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1[C@@H](N)CC(C)(C)C	83267000	PINPMATZJALQMN-HNNXBMFYSA-N	247.426	4.729	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccc(Cl)cc2)CC1	83427111	UXMDWGMPOFDZAK-WCQYABFASA-N	237.774	4.721	0	10	BJAE	
C[C@@H]1CC(NC2CCCCCCC2)C[C@H](C)C1	84461994	YPAQTCUFWMXJEE-MZBDJJRSSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H](C)c2ccco2)CC1	86939335	SJMRSVPBZAIEHT-ZNMIVQPWSA-N	249.398	4.679	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1CCCCCC1	87946670	HUDNQALWYICWAX-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@@]1(O)CCC(C)(C)C[C@@H]1C	88132254	HJRMGLPHCVWXKW-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)CC2CCC2)CC1	88133892	XLPVUEZPZNMVIJ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C=COc1ccc(C(C)(C)C)cc1C(C)(C)C	90826960	IJHAFCFAXGGMQI-UHFFFAOYSA-N	232.367	4.804	0	10	BJAE	
C/C=C\CCc1ccc(Cl)cc1Cl	107533646	IYUYNFVKYXXYGY-IHWYPQMZSA-N	215.123	4.502	0	10	BJAE	
CCSc1ccccc1NCC1CCCCC1	109910995	QJJKFVLHCQRQPS-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CCCC[C@@H]1CC[C@H](C)c2ccccc21	111897860	ZAPFTEJQJIGRNN-QWHCGFSZSA-N	202.341	4.858	0	10	BJAE	
CCCN[C@H](c1coc2ccccc12)C(C)(C)C	123063753	LBHRFLKKUMJOKJ-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1ccc(C2CCC2)cc1	128733443	JKONRFVYIRPQFF-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CC(C)(C)CC[C@@H]1N	131638348	RYMBDJKSZYGHGY-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](N)CC12CC3CC(CC(C3)C1)C2	159674372	JCEMYJOWUZETHX-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1csc2ccccc12	162086113	WMBRJXHXWZMUCX-SMDDNHRTSA-N	247.407	4.727	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)c1cc(C)cc(C)c1	166737449	NFWRUVIRTIRROB-DJIMGWMZSA-N	245.410	4.520	0	10	BJAE	
CC1(c2ccccc2Cl)CCCCC1	205195323	WRMKKJRTPDJCDC-UHFFFAOYSA-N	208.732	4.562	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCC(C)(C)C[C@@H]1C	224970195	AWYJHZAGBGPWIB-JSGCOSHPSA-N	249.373	4.761	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H](C)CC1)c1ccccc1	226501554	KDTPENPMQAEEIJ-OIISXLGYSA-N	245.410	4.696	0	10	BJAE	
CCN[C@H](CC1CCCC1)c1cc(C)cc(C)c1	229479599	WARRXDGFTFVHKD-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2CCCCC2)c(F)c1	235820104	WSMISHGMOGYLJY-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
Cc1ccc(COc2ccccc2C)c(Cl)c1	235854916	HYCFUXULDJMYOQ-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC[C@H](N[C@H]1/C=C/CCCCC1)C1CCCCC1	302528184	XFTBFBAVSXUVQQ-MQZKNQHPSA-N	249.442	4.824	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)c1cccc(CC)c1	305995142	JXZBBIDNRSIRQD-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
Cc1cccc([C@H](C)N[C@@H]2C=CCCCCC2)c1	310669143	FSWOGHJHYHUWPZ-DOTOQJQBSA-N	243.394	4.535	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Oc1ccccc1C(C)C	319598939	LQGXWKHMKMNDSU-CHWSQXEVSA-N	220.356	4.623	0	10	BJAE	
CCCCC[C@](C)(O)CC/C=C/c1ccccc1	324021469	NYOXHAPEUSWPKG-YJJOXIQCSA-N	246.394	4.811	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1(C)CCC1)NCCC	383534381	RWOFLYDSNWDPKW-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)c1cccs1	391212325	KMEDYKHGMAUEPO-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
CCOc1c(CC)cc(Cl)c2sccc12	396184126	AYZOTZCIWGFSSS-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1csc2cc(F)c(C(F)F)cc12	396203650	VHIPQZXEPFKVBS-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
Cc1ccc2cc(S)sc2c1C(F)(F)F	396298925	IIRCPYFBLVTVDI-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@H](Nc1ccc(C)cc1F)[C@H]1CC1(C)C	397792093	QGQJBIRMWJOIHA-OCCSQVGLSA-N	249.373	4.761	0	10	BJAE	
CCC[C@]1(C[C@@H](C)C2CCC2)CCCCCN1	398617098	CQUJXDPMHKYPNK-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C[C@@H]1CC=CCC1	402231591	YAODWHPXCNFLFZ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@H]1C[C@H]1CC=CCC1	402362531	PSPGWYLVJFIJEY-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1cccc(C(=O)CC(C)(C)C2CC2)c1	688937805	SJSYKNPSMOXIPC-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
C[C@@H]1CC[C@](CNC(C)(C)C)(CC2CC=CC2)C1	692073998	NRKWVSPIAUEALQ-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1CCC2(CC1)CC2	695672030	QAOUAPHFHBPOBU-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@H](CN)[C@@H](CCC(C)(C)CC)C1	696806982	RBEJICJYHMNGEK-ILXRZTDVSA-N	239.447	4.604	0	10	BJAE	
CC(C)=CCC[C@H]1CCC[C@H]1CNC(C)(C)C	697774494	OWGLQHAFYBSOBZ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](N)[C@@]1(C)CC[C@H](C)C1(C)C	699048807	FGFNFTZLNLIXLN-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1cccc(C(C)C)c1	701539696	WZSJWWKVINNZNJ-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
C[C@@H]1C[C@H]([C@H]2CCCC[C@H]2C)Nc2ccccc21	704879422	QDMMMKONQGKQKL-VWPFQQQWSA-N	243.394	4.801	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCCCC[C@H]1CC	704951410	LYWWGODTUNOFOZ-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CC1(CNCC[C@@H]2CC=CCC2)CCCCCC1	706869195	OGXNMHKMKMKZQC-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)c1ccc(C2CCC2)cc1	708265264	QEBPFKAQKOCNAZ-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CCc1ccccc1[C@@H](NC)[C@@H](C)CC(C)(C)C	708318272	WJQFJVXNGFYYCD-BBRMVZONSA-N	247.426	4.582	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@]23CCCC[C@H]2C3)c1C	709115684	TUPXSNRUWZLPCK-VYDXJSESSA-N	243.394	4.684	0	10	BJAE	
CCCC1([C@H](C[C@@H](C)CC(C)(C)C)NC)CC1	709125774	ITBOTKSUKQFZAI-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)CCCC12CCC2	709173784	CRRRWAGLUJLEDQ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@H](O)CC1=CCCCC1)CC(C)(C)C	709243318	LWFBJHOYGPXCFM-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
CC(C)(CC[C@H](N)C12CCC(CC1)CC2)C1CC1	710117955	QASNZFCDDRWCPY-GULBITTBSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cs1	710727676	GEYGSQSSMSJBJU-OSAQELSMSA-N	249.423	4.683	0	10	BJAE	
C=C/C=C\CCCC[C@@H](NCC)c1ccccc1	713726626	HZHXLVZQXQTAID-KEGWNNHHSA-N	243.394	4.640	0	10	BJAE	
CCC1CCC(N[C@@H]2CC[C@@H]3CCCC[C@H]32)CC1	714314011	FHWZBSQYTFPZBR-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
CC/C=C/C[C@H](CC)c1ccc(O)cc1C	714522274	KQIDSRWKZSAOKZ-YBJDMEARSA-N	218.340	4.551	0	10	BJAE	
C[C@H](C(=O)c1cscc1C(F)F)C(C)(C)C	720301163	JBUZEPGCXCOWLU-SSDOTTSWSA-N	246.322	4.551	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CCC[C@@H]3C[C@@H]32)n1	821965105	KBGOQBMOXKMMHR-QCNOEVLYSA-N	235.396	4.560	0	10	BJAE	
CCC[C@H](CC)S[C@@H]1CCC[C@@H](C)C1	1459058227	BSFMQLBPQYCXJR-FRRDWIJNSA-N	214.418	4.877	0	10	BJAE	
CCCC1CCC(CNC2CCC=CCC2)CC1	1560594049	YNTHWJUKAAWJKN-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C1CCCC(CSCC2C[C@@H]3C[C@H]3C2)CC1	1656763076	RAFIWCMGNUNNQU-HUUCEWRRSA-N	238.440	4.736	0	10	BJAE	
CC[C@@H](CC=C(C)CCCC(C)C)C(C)=O	1900867087	RKFJNFNZWLUPGP-HNNXBMFYSA-N	224.388	4.764	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)CC(C)(C)C	1908573847	ZKYOYJCITNGEQE-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1C[C@H]1C1CCCCC1	1910664334	SGOUZZKKUJBBLV-AEGPPILISA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C1CCC(CC)CC1	1910794511	NYTKXQWQVDGIKY-CVSAEHQPSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@H](NCC)c1cccc(Cl)c1	1912113365	YUSWRZPMTZMRSO-HNNXBMFYSA-N	249.785	4.513	0	10	BJAE	
CC(C)CC[C@@H](C)C1(O)CC2(CCCCC2)C1	1912720730	LSHSOKUBKMGKHA-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCCC1(N)CC2(CCCCC2)C1	1912721294	URWMRURSPIFLKX-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H]1CCCCCCCC[C@@H]1CCC	1913396450	UVZXFIHRKXLIKH-JKSUJKDBSA-N	239.447	4.905	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC1(C)CCCC1	1920186443	HBMJFNXRDZJSAZ-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	1921538711	LDSTZZGGRYDIHJ-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC[C@@H]1CCCC12CCC2)C1CCCCC1	1921602134	KRHZWRQLXCJAKL-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)[C@H](C)C2CCCCC2)c(F)c1	1924080699	HKCAXIYCSTZXDD-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC(C)(NC[C@H]1C=CCCCC1)C1CCCCC1	1925914101	ZFPGFGWINLMGMS-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1(COc2ccc(Cl)cc2)CCCCC1	1935606265	SUWMSFFBQHEBIA-UHFFFAOYSA-N	238.758	4.689	0	10	BJAE	
CCC[C@@H](C(=O)c1ccc(CC)s1)C(C)C	1936208724	IMGGWAQSEICHDI-GFCCVEGCSA-N	238.396	4.566	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)CC1CCCCC1	1940257330	ZDYXSRFBCZSMEV-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1(C)C(C)(C)C1(C)C	1940278809	FCYQFQVWVUCMBX-GFCCVEGCSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)CC1(F)CCC(C)(N)CC1	1940838195	CFWVBFMHRQNRQA-WLYUNCDWSA-N	243.410	4.593	0	10	BJAE	
CC(C)(C)C1CCC(C[C@@H](O)C(C)(C)C)CC1	1941160958	VMONYYHUILRRKU-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)CNC1(C)C(C)(C)C1(C)C	1941189604	ISVGNSXXCUHJKY-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)[C@H](CC)C(C)C	1941265163	SPPRPJLUMKAWNW-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccccc1CC(C)C	1941848886	VLSKYMSIWVHTPK-ZDUSSCGKSA-N	232.367	4.504	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1(C)CC(C)C1	1941987411	KNQGFZITHBYYCZ-OGVSOVDVSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)CCC1CCCCC1	1942652234	FROUREHGFUQNCB-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCCNC[C@H]([C@H](C)CCC(C)C)C(C)(C)C	1942657003	NGJYFUPMOXIWDN-HUUCEWRRSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](C(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)C	1944203818	OTUBRWOVLKIRQJ-YJNKXOJESA-N	238.415	4.700	0	10	BJAE	
CCC(CC)(CC)CNC(C)(C)C(F)(F)CC	1944591081	OKGKBIDWQNXZSR-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@H]1CCC[C@@H]1C	1944841908	FXRKBZAVIXUODI-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@](C)(N)CC1CCCCC1	1944841978	GHQJVRFWYGDJPA-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](O)(C[C@H]1CCC[C@@H]1C)C1CCCC1	1944854251	XFZHDSODNWPRPV-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CC[C@@H]2CCCC[C@H]21	1946367638	RKSSRTBGXAPCTF-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)CC1CC(C)(C)C1	1949733328	JFPJUNNOAAZHQX-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H]1CCC[C@@H](C)CC1	1950931864	ZWBFICBRBYPBEW-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC=CCCc1ccc(OCCC)c(C)c1C	1951308914	QHFOUKAIURICOD-UHFFFAOYSA-N	232.367	4.601	0	10	BJAE	
CC(C)CC1(CN(C)[C@@H](C)c2ccccc2)CC1	1966513342	UIHUKHJQEYJYAK-HNNXBMFYSA-N	245.410	4.506	0	10	BJAE	
CCCCN(CC)Cc1cccc(C(C)(C)C)c1	1968351371	HWDAIIWTEUPCFB-UHFFFAOYSA-N	247.426	4.606	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1CC(C)(C)C1	1968601827	BILCNYVAMGLHIH-UHFFFAOYSA-N	245.410	4.967	0	10	BJAE	
C/C=C/CCCNc1cccc(C(C)C)c1	1984606520	IBQCORRQBUNABX-SNAWJCMRSA-N	217.356	4.578	0	10	BJAE	
Cc1cc(Cl)cc(-c2cc(=S)c(C)c[nH]2)c1	1993669272	NVZROBQYUCTLQY-UHFFFAOYSA-N	249.766	4.681	0	10	BJAE	
CCCc1coc2c1ccc1ccccc12	1995445187	SKECLMGVFBENEQ-UHFFFAOYSA-N	210.276	4.539	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](C)(N)C1(C)CCCCC1	1995985873	LTMXAJZVCHBKJH-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)[C@H](CCC(C)(C)C1CC1)NC	1996603276	QRKAUMNPADPQMH-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(O)(CCC2CCCC2)CC1(C)C	1997807750	FTTXNKITQRHNMT-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@H]1C=CCCC1	1998377059	IXPBLAYFMKAAOO-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCNC[C@H]1CCC=CCCC1	1999992598	WIPAWXNJWFTMKI-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)[C@@H]1CCCC(C)(C)C1	2000028907	UXSRZCWMNGNGDF-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(C(=O)C(CC)(CC)CC)CC1	2000214432	BJORWLHCRGQUTB-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@](CC)(CN)CCC(C)(C)C1CC1	2000499036	GPOHXCFYCKPQEN-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
CCN[C@H](C[C@@H](CC)C(C)(C)C)CC1(C)CC1	2002513353	AGYMJSLQQUOVFH-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@](C)(O)CC(C)(C)CC)CC1	2002922627	BJNCBCMXCCGZKX-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
C[C@H]([C@H]1CCCC(C)(C)C1)N(C)CC(C)(C)C	2002991793	WACKZKMMQHTRDX-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H](C)[C@H]1CCC[C@H](C)C1	2003020702	ZTFJUBATHKXUNP-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
CCCCCC1CCC([C@@H](O)CC2CC2)CC1	2003109216	SSJPWKXCGMGQRG-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@]1(C)C=CCCC1	2003327635	XJZXSLZGNUTWEK-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC1(CNC2CCCCC2)CCCCCCC1	2004936970	IETUAUONBIJLEN-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC)CCCCC1(C)C	2005581647	AFGFXJPHBKYRHY-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@@]1(CCC(C)C)CCCCC1(C)C	2005584254	VHTMPBPSQHGRME-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC=C(C)[C@@H](NCC)c1cccc2ccsc12	2007860355	LNJYMNACBQJVDK-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
CCC1(CC)CC(N)(C[C@@H](C)CC(C)(C)C)C1	2009300299	WBXYCGKRUMTMOE-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
C/C=C/CCC[C@H](O)[C@H]1CCC[C@H](CC)CC1	2009593287	NHTXYNKARPGSBH-CRIKOPJCSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CCCC[C@H]1C	2009596114	NMFQLZGLELDQLA-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@](O)(CC)CC1CCCCC1	2009596486	RKIUDYNCAUSRSU-LLCTXKFZSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CC=C(C2(N)CCCCCCCC2)CC1	2010609308	OBEIWRFBPADTGO-AWEZNQCLSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@@](N)(CC)CC1CC(=C2CCC2)C1	2011103061	KYDTZGJAIOHFNA-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
C[C@H]1C[C@H]1CCCC1(CN)CCCCCCC1	2011580734	JAWVOZSDQPLHRO-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CCCCCC[C@H](CCC[C@H]1C[C@H]1C)NCC	2011583435	IXZFILPGBBEDTB-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)C[C@](CC)(CNC(C)C)C(C)C	2012414336	XHVWGHDMEATRHH-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@H]1CCC(C)(C)C1	2013311837	MSZWQZGYBWGQBN-CABCVRRESA-N	239.447	4.712	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)C)C1CCCCC1	2015270731	LFSZZWYNPSDGJE-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C[C@H](N)C[C@@H](C)C(C)(C)C)C(C)C	2015284466	NYNOLFSKYZIXSX-ZIAGYGMSSA-N	241.463	4.704	0	10	BJAE	
CC(C)C(CCC(=O)CCCC1CC1)C(C)C	2015395398	ZBAZWMHKFPEISF-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCC[C@H](C)C2)CCC1	2015589642	XVNPKPBWNAMQNR-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H]2CCCCC[C@@H]2NC)CCC1	2015644302	LOYXCLRLLUTEOR-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C(=O)C2(CC3CCC3)CC2)c(C)s1	2015819777	ZMZZIRHNDZQBOB-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCC1(C[C@H](O)C2(C)CCC(C)(C)CC2)CC1	2018967873	OWBRKJQMJZJJAE-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC1(C)CC(C)C1	2019194516	QMJJRJSYHFDILL-PCKAHOCUSA-N	239.447	4.571	0	10	BJAE	
CC(C)SC[C@@H](C)Nc1ccccc1C1CC1	2021028601	UBTKXJUMGGNDHN-GFCCVEGCSA-N	249.423	4.506	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@H]1C[C@@H]1C(C)(C)C	2022455010	SAGOGRYXFVOHIY-RZLSGREXSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)C[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2022995450	UKXGLOBXOBJMEN-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)[C@H]1CC[C@@H](N)CC1	2023554118	XJNBGFBLAZCFCV-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CCC[C@H]1CCCC(C)C	2024000951	NPAFKSJEGATGBI-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(=O)C[C@@H]1CCCC(C)(C)C1)C(C)C	2024101673	MHWZSUYYJDOQQB-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCCC(=O)[C@@H]1CC1CCC(C)(C)CC1	2024604434	CCVOCINCVNHLHW-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(CC(=O)c2ccc(C3CC3)s2)C1	2025432386	KVJLIXVJJGTQPW-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC[C@H](C)C(F)F	2026065690	WVKAAHDHPPYKBI-NEPJUHHUSA-N	248.357	4.843	0	10	BJAE	
C[C@@H](CC(=O)c1ccccc1C(C)(C)C)C1CC1	2027622136	CDTLJIAEBBGOMV-LBPRGKRZSA-N	244.378	4.603	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)C12CCC(CC1)CC2	2027823725	XLEKUEAMTUZGKI-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)CCC[C@H]2CC2(C)C)c1	2027842398	IHKWGJULUQJBGJ-HOTGVXAUSA-N	246.394	4.553	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)c1cccc(C(C)C)c1	2028256720	BTFOZVUUMKZKNQ-DLBZAZTESA-N	247.426	4.882	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](N)(CC2(C)CCCC2)C1	2030280200	VQPPXAABIUNWHU-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
C1CCCC(CN[C@]23CCCC[C@@H]2CCC3)CC1	2031800240	YJNJNFLLCHUZKF-SJORKVTESA-N	249.442	4.659	0	10	BJAE	
C[C@H](CC1CCC1)NC[C@@]12CCCC[C@H]1CCC2	2031810066	WDOBQKVAMCRHAY-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(NC[C@H]2CCC[C@@H]2C)cc1	2032512372	ALVKZFFWJLRJBA-GOEBONIOSA-N	245.410	4.877	0	10	BJAE	
CC1(C)[C@H]2CC(C(=O)CCC3=CCCCC3)C[C@@H]21	2032593690	OPFTUMPNGLQZJL-GJZGRUSLSA-N	246.394	4.518	0	10	BJAE	
CC1(C)C2CCC1([C@@H](N)CC1CCCCC1)CC2	2033434758	IYCRLYLCVKZZBB-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc2[nH]c3c(c2c1)[C@@H]1CCCCC[C@@H]1C3	2035860301	FANMWMSTMNVMAD-CHWSQXEVSA-N	239.362	4.696	0	10	BJAE	
CC(C)CC1([C@H](N)CC2CC3(CC3)C2)CCCC1	2036757143	VYBULNXROMKLGM-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@]1(N)C[C@@H]1CC=CCC1	2037166914	OSIXARAIGWXEEK-VQHPVUNQSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC(C2CC2)C2CC2)CC1	2037189491	RHWQITFJUQXHGF-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CC1CCC=CCC1	2037208098	OVLNSKQTQHMTGE-IRXDYDNUSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CCC1CC2(CC2)C1)CC1CCCC1	2038115577	VQXYVBYREMCXJP-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)cc1NC[C@H]1CC12CCCCC2	2039050307	HFOZDVMQDLMCQD-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
C[C@H](NC[C@H]1CCCC(C)(C)CC1)c1ccoc1	2039374353	GULQKBDDSYOPFD-KBPBESRZSA-N	249.398	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)CC12CCC(CC1)C2	2039420772	NJPANKYQKGNJMC-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CCCCC1)[C@@]12CC[C@@H]1C2	2039751092	GFVKLOZOMYFQBO-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1ccc(C(C)(C)C)cc1	2040722942	DGLRZRPFEZSMHZ-HNNXBMFYSA-N	247.426	4.810	0	10	BJAE	
C[C@H]1CCC[C@H](CNC2CC3(CCCC3)C2)CC1	2041374387	ABJZXPNVKBHTJO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@H]1CCCC[C@@H]1CC	2042023971	HKJZNMLYVMOERE-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1N[C@H](C)CC1=CCCCC1	2043194919	QAQDDHNIKBSLSS-JYYAWHABSA-N	249.442	4.680	0	10	BJAE	
CN(CC1(C)CCCCC1)[C@H]1CCC2(CCC2)C1	2043708479	PDJIVFZVQDUKMW-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC(C[C@H](N)C[C@H]2CCC=CCCC2)C1	2045318901	ZLTBTICTNVCMFK-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@H]1CCCC(C)(C)C1	2045453412	ZHHPFHJQUHICHG-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CC(C)C1(C(=O)[C@H]2CCC3(CCCC3)C2)CCC1	2045565498	XCKRAENXXGXSSL-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCCC1CC1)[C@@H]1CCC2(CCCC2)C1	2045730719	QZEGMJCZHLECRS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](C2(N)CC3(CCCCCC3)C2)C1	2046233409	NKSHORIUVZHDIA-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@](N)(C[C@H]1CC12CCCC2)[C@H]1CC1(C)C	2047060621	YYIBLVMWMUSKKZ-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
C1CCC[C@@H]2[C@@H](CC1)C[C@@H]2NCCCC1CCC1	2047446699	MAOBOEISZVHJTO-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2[C@H]3CCC[C@H]32)CC1	2048469957	GSVUQIPKAKFFOQ-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@@H]1CC12CCCCC2	2049699812	CZAPEGSELZXAOZ-HUUCEWRRSA-N	248.410	4.886	0	10	BJAE	
C[C@H](C(=O)CC1CCC2(CC1)CC2)C1CCCC1	2049935181	GHHRWEYOFYLUNT-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCCCN1C[C@@H]1CCCC2(CC2)C1	2049936166	QJFMSDJCVCMBJL-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H]1C)[C@@]1(C)C=CCCC1	2050003213	NMGJOTSXXFBRQJ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@@H](O)c1ccc(C)cc1	2050442551	WYTGHQDFJWUOSB-DJIMGWMZSA-N	246.394	4.635	0	10	BJAE	
CCC(C)(C)CCC[C@@H](NC)c1ccccc1C	2050459218	USMZAEVVTHPQPX-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@H](N)c1ccccc1C	2050460589	KNMBQMUHAIAUQX-VYDXJSESSA-N	245.410	4.601	0	10	BJAE	
C=CC=CCCN(C)C1CCC2(CCCC2)CC1	2051642801	JQWHJNLEVVYIBT-UHFFFAOYSA-N	247.426	4.554	0	10	BJAE	
CC1([C@H](N)C[C@H]2CC=CCC2)CCCCCCC1	2052475156	IAEQCYHFQCHBQF-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CCc1ccc(N[C@H]2CCCCC23CC3)cc1C	2053304845	JFTOTSBLLMQBOS-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
OC1(C=C2CCCCC2)CCC(C2CCC2)CC1	2056863265	PYGYJROFMHGZFR-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C1(CCC)CC1	2056870752	NJUMFRCVWNHBHY-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2059203490	KVANUIVHVLPQPM-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
CCCCCC1CC(N[C@@H]2C[C@H]3CCCC[C@@H]32)C1	2059390228	LSOUTGBMPPZXGG-QTPCEWDRSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(N[C@@H](C)CC2=CCCCC2)C1	2059394795	BGUTTZDENSWLOL-OOHWJJMZSA-N	249.442	4.824	0	10	BJAE	
CCCCCC1CC(N)(C2CC(C3CCC3)C2)C1	2059492903	LHUWTZHAACTELB-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)[C@H]1CCCC[C@H]1C	2061090533	BUMSIKZCONSITP-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(CC[C@@]23CCC[C@@H]2C3)C1	2061618367	USUFTPJOOAAEBC-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CC(=C2CC2)C1)[C@@H](CC)C(C)C	2061731983	ZEBRWKCISVIXPH-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(CN[C@H]2CCCCCC23CC3)C1	2062021823	YGWPRSKKIXPXNQ-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC2C[C@@H]3CCC[C@H]3C2)CC1=O	2063427473	NJGNKJNZEMCPKL-SNPRPXQTSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(CC23CCC(CC2)C3)C1	2065335719	SCGWFQVNEJRQDJ-DXCHVLGVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1(C(C)(C)C)CCC1)c1ccco1	2071941361	SMEORNDRVARIOF-ZDUSSCGKSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2072682406	VAFCIFODYBAFIQ-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)c2cccc(C)c2)CC1	2072700144	HHKVBNQBSFVLPR-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@]23CCCC[C@H]2C3)CC1	2072802365	WYAWNDBNQYGWBW-WOYTXXSLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@@H]2CCC3(CC3)C2)CC1	2072807196	TTZRRPAYKNGRCQ-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)CC2C[C@H]3C[C@@H]3C2)CC1	2072875527	PDCLFDXINSEROR-BGHVQYPCSA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(C[C@@]12CCCC[C@@H]1C2)C1CCCCC1	2074023251	BHDUEDGWXAYEEQ-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@@]12CCCC[C@H]1C2	2074030229	RXDRCSMFURKEKX-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@@H]2CCC23CCCC3)C1	2074900408	QUDYQHITFKKJTE-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1C[C@H]2C=C[C@H]1CC2)C(C)(C)C	2075813055	BJKFUAHFAOEQIT-QBYUYEEZSA-N	249.442	4.523	0	10	BJAE	
CCCCCC[C@@]1(N)CC2C[C@H]3CC1C[C@@H](C2)C3	2076796825	KDWWFBHOFYVXLA-RNONSGAXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@@H]2C2CCC2)C1	2079330407	YHWJPQFNYPXALP-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1C[C@@H]1C1CCC1	2079388158	CNVARDMYZMXEFP-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCCNC[C@H]1C[C@@H]1C1CCCCCC1	2079461843	LXYZVXJCLXFHBM-MLMMWPPISA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC[C@H]1CCc2ccccc2N1	2079668865	CXMQNBWWTHJTJS-OWCLPIDISA-N	243.394	4.630	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2C[C@H]2C2CCCCC2)CC1	2079834003	ZTOWXBYJYRDPSU-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](c1cc(C)cc(C)c1C)[C@@H](C)CC	2082919006	MOZCKDHPWQKRNE-GUYCJALGSA-N	247.426	4.699	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)CCCCC23CC3)C1	2082977190	XDLMNSNCHFZLNO-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@@H](CC2CC(C)(C)CC(C)(C)C2)[C@@H]1N	2082989208	ZDLZUPBSGPBEDL-LSDHHAIUSA-N	249.442	4.523	0	10	BJAE	
CC1(C(=O)c2cccc(C(C)(C)C)c2)CCCC1	2083544476	RDYPQVYIYDOCHT-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCC1CC(C[C@@H](N)C[C@@H]2CC23CCCCC3)C1	2084997615	JTAAEJLUFITWFG-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CCC[C@H](N)C1CCCCC1	2211237963	DTQAZFRNQYTCCD-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C(=O)c1sc(C)c(C)c1C)C(C)C	2211702692	UIDCHMSZEFVCPO-LBPRGKRZSA-N	238.396	4.538	0	10	BJAE	
CC(C)CCCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2213281896	KDJSOLXXCRRBAA-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)c2sc(C)cc2C)C1	2213605299	FERCHIVILPXDRK-NOZJJQNGSA-N	248.391	4.540	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)c2scc(C)c2C)CC1	2213646188	YKCUBDLEDUZRER-JSGCOSHPSA-N	249.423	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(O)CCCCC1CC1	2214563554	QYHLSDQXMFPURK-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C[C@@H](C)CC	2214570142	QJCOJQXGLAXMOW-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC1([C@H](CCCCC2CC2)NC)CCCC1	2214573364	MBDXQTIJAJYZMF-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1ccc(C(C)C)cc1	2215315344	WYCDAULKBUZITR-UKRRQHHQSA-N	231.383	4.658	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2(C)CC(C)(C)C2)CC1	2215389782	XEBDPZXHZVUGSQ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(F)(F)CCCC(=O)CC1(C)CC(C)(C)C1	2215439024	BRDPXVIPAQUJOA-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC1=CC[C@](CO)(C[C@@H](C)CC(C)(C)C)CC1	2215839685	XJYXLVLRTZFDDL-GOEBONIOSA-N	238.415	4.558	0	10	BJAE	
CC(C)CCCN[C@H]1CCC[C@@H](C(C)(C)C)C1	2216259104	SFMCEOUJVWWUBO-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@H]1CCC[C@@H]1C	2217125779	RIKPWDLYJIKEHC-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)(CC=Cc1ccccc1)C(C)(C)C	2219050529	MGHWAQSKEBFFCD-QGZVFWFLSA-N	246.394	4.667	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1CC)[C@]1(C)CC=CCC1	2220874568	CMXYISJZIGYFAD-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CC2(C)CC3(CCC3)C2)C[C@H]1C	2221036277	BFOKOAOTXTWLPU-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CC2(C)CC(C)(C)C2)c(F)c1	2221075836	KUCJYMJBJAXTEK-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC1=CC[C@](C)(Nc2cccc(C(C)C)n2)CC1	2221608257	XNKBVESECXBZRG-INIZCTEOSA-N	244.382	4.506	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1	2221642997	LEADDGCKCSBHBK-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1CC[C@H]2C[C@@H]21	2223106287	AEJNQSMLAZDURF-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CC(=CCCCCCCC1CC1)[C@@H]1CC[C@H](N)C1	2223109276	IQKLUKZWSCVEGF-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CC2CCCC2)C=CCCC1	2223596669	QGSFBYJRKNBWQJ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C(=Cc1ccccc1)C[C@@H]1CCCc2cccnc21	2226202458	IHGPSWYZEHNEEM-MRXNPFEDSA-N	249.357	4.605	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCC=C(C)C)NCC	2244775834	RQHOADNGFMNJQW-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
Cc1scc(C(=O)[C@@H]2CCCCC23CC3)c1C	2246417150	XEDVHKYAEKMHEJ-ZDUSSCGKSA-N	248.391	4.518	0	10	BJAE	
Cc1cscc1NCC[C@@H]1CCCCC12CC2	2246630737	AGDGPQCRVPWHDU-ZDUSSCGKSA-N	249.423	4.829	0	10	BJAE	
CC1CC(CC(=O)CC[C@H]2CCC[C@@H](C)C2)C1	2246665740	LLMUOLCAEMZABS-FEWQNLEASA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(CC(=O)c2csc(C3CC3)c2)C1	2248074688	RLKPBMGZTLPSTG-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C[C@@H](C)C1CC1	2248808523	OCGVBVOHXXWJTM-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(CC2CCCC2)C1	2251667341	UXVGODQHSZOCIF-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC1CC(C)(C[C@H](N)c2ccccc2C(C)C)C1	2253656836	VIEGRRRCDYVNQX-PWZRNIHTSA-N	245.410	4.636	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2253930711	NSXJPNWBLDGTKM-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@]2(C)C=CCCC2)C1	2253931974	AKHHNVRRFJDDQS-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@@]1(C)C=CCCC1	2257242653	VDXNGTAFKJVCKE-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
N[C@@H]1C[C@@H]2CC[C@H](C1)[C@@H]2CCCCCCC1CC1	2258026651	JSDALDURFRWKRQ-GANOOXTDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1CC(=C2CC2)C1)NCC	2259452852	INLOMZXEYUUJCW-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2300700881	OPEKINDCXIBFFU-FOLVSLTJSA-N	236.399	4.598	0	10	BJAE	
CCC(C)=CCc1ccc(C)c(C(F)(F)F)c1	2300861428	RMUQVVOVSRTLCI-UHFFFAOYSA-N	242.284	4.913	0	10	BJAE	
CCC(C)=CC[C@H]1CCCCCCC[C@H]1NC	2300899866	RYNQGLKXKRKXGN-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC(O)(CC)CC[C@H]1C[C@H]2CCC[C@H]1CC2	2301133599	NQQIIKBYZNVPET-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CC1CCCCCC1	2301245099	SKBULGGFFZDDKM-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CC(C)C(CCN[C@H](C)[C@H](C)C(C)C)C(C)C	2301711567	SXLQTMJJHYWFSW-HUUCEWRRSA-N	241.463	4.575	0	10	BJAE	
C[C@](N)(CCCC1=CCCCC1)CCC1CC1	2302337079	UHTCQBAJVYOJQA-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)CCCCCNCCCC[C@@H]1C[C@H]1C	2302488685	CROFYKZXJLHNFN-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@@H]1CCC(C)(C)C1	2302710719	SQRMPWAXZMVAGK-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@H]2CCC(C)(C)C2)C1	2302763870	RHQNPPYDEWABEZ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1N[C@@H](C)c1cccc(F)c1	2302892702	OMQMXEBURPOLLG-JTQLQIEISA-N	249.354	4.623	0	10	BJAE	
CCC[C@H](C)[C@@H](O)c1cc(C)ccc1C(C)C	2307511937	FGKPBZBMMUPBGN-XJKSGUPXSA-N	234.383	4.588	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CNC2(CCCCC2)C1	2307826440	MLELRONZQGWPJH-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1(C)CC2(CCC2)C1	2307901343	YIZYBNGOGGMCGL-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@H]1CCCC1(C)C	2307902935	NCKISWNXAKKKMO-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1(C)CC2(CCC2)C1	2307909176	JUDWYMZKCQYIOK-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CC[C@@H]2C[C@H]12)C1CCCCC1	2308153473	VBARQZGBRNHGMC-DPAVQSFQSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1C[C@@H]1C)[C@]1(C)CC=CCC1	2310433695	CHCAOCZHIWTOIK-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@H]1C[C@@H]2CC[C@H]1C2	2312939084	FBPRRWUUUCIXBP-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN[C@@H]1C[C@H]2CCC[C@H]21)CCCC(C)C	2316491704	PFOOFVVLBKVTAY-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](Nc1cc(F)ccc1C(C)C)[C@H]1C[C@@H]1C	2317934843	WIJVHTDTWMPAOH-CQDKDKBSSA-N	249.373	4.796	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C1=CCCCCC1	2317974402	PZHWMYMZLHQFQP-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
C[C@@H]1C[C@H]([C@H]2CC(C)(C)[C@@H]2C)c2ccccc2N1	2318270242	KVNGOWKPWSTKOZ-UXOAXIEHSA-N	243.394	4.657	0	10	BJAE	
CCN[C@@H]1[C@H](C)CC[C@H]1CCCC1=CCCCC1	2318572794	KDZJOQRVDBVSLU-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC=C[C@](N)(CCCC2=CCCCC2)C1	2318581690	ZKECTBLOFVWKPF-QGZVFWFLSA-N	247.426	4.731	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC(C)(C)C2)CC=C(C)CC1	2319073602	OWMKIDMBPLCPIC-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C[C@H]3CCCC[C@@H]3C2=O)C1	2319141752	VADRXWBDMUBABG-TUVASFSCSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1N[C@H]1CCCCCC12CC2	2320150557	VJTIHPHQUCLQJE-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC2CCC2)CCC(C)=C(C)C1	2320261776	SYJZJUHULVBVDB-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC(C)=C(C)C1)C1CCC1	2320329756	VCAZPUAVWMKMAT-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCCNC[C@@]1([C@H]2CC2(C)C)CCC(C)=C(C)C1	2320388176	NQKKECFVASGUSM-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@H](C)C2CCCC2)CC1	2320423167	KRHFDFHYRRRDGJ-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@]2(C)C=CCCC2)C1	2321627590	ZKGWYMBPVPSPRS-PBHICJAKSA-N	248.410	4.908	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)c1cc(C)cc(C)c1	2328272461	LLSDBGKXNVXBJX-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CCC(CC)CNc1cccc2ccccc12	21008486	ARUWVBGEOVEZAO-UHFFFAOYSA-N	227.351	4.688	0	10	BJAE	
CCC[C@H](C)N[C@H](C)c1ccc2ccccc2c1	21792663	WSLASGMVPWJEQK-UONOGXRCSA-N	241.378	4.679	0	10	BJAE	
CCC(CC)[C@@H](NC)c1c(C)c(C)cc(C)c1C	35491467	CKHMDNOJVWQZQF-QGZVFWFLSA-N	247.426	4.617	0	10	BJAE	
CCC[C@H](CCO)c1cc(C(C)(C)C)ccc1C	41302365	RLNGRKRHBAGBRS-CQSZACIVSA-N	248.410	4.559	0	10	BJAE	
Cc1ccccc1N[C@H](c1cccs1)C1CC1	42328678	MXXZTZCVHJRLGO-HNNXBMFYSA-N	243.375	4.620	0	10	BJAE	
CCCC[C@@](CC)(CNC)C[C@@H](C)CCC	71127887	XBUOATNKYGDVOE-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@H](CC)Cn1ccc2ccccc21	81219076	BUIHQQHBTMFKCB-AWEZNQCLSA-N	229.367	4.858	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC[C@H](C)CC1	86883289	XYEPGNRQSJOROB-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)C(=O)C1(c2ccccc2)CCCC1	94676236	PIBGKRCWUZJWOD-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(N)CCC(C)(C)C	109700775	CQXNGMBIRGCJHP-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccccc1OCC(C)C	109911408	BMPFNADWYZUDTG-UONOGXRCSA-N	249.398	4.568	0	10	BJAE	
CC(C)C[C@H](N[C@H]1CCC[C@H]1C)c1ccccc1	109964013	OIFLEBZDVFQJDM-PVAVHDDUSA-N	245.410	4.552	0	10	BJAE	
CC(C)C[C@@H](CNC(C)(C)C)CC1CCCC1	110183763	LLVQSSRGBWECCU-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1ccc(C(C)C)cc1	112885154	CAANNNFANYIQGF-BBRMVZONSA-N	234.383	4.670	0	10	BJAE	
CCC1CCC([C@@H](O)C2(CC)CCCC2)CC1	125434446	MWZRKBAZSYHOIN-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@@H](N)CCC(C)(C)C)CC(C)(C)C	126729402	FABKWTYTCNJBTA-STQMWFEESA-N	227.436	4.602	0	10	BJAE	
CCCC[C@@H]1CCCCCCc2cc1c[nH]2	136894139	MWNUYJYLSHPECH-CYBMUJFWSA-N	219.372	4.795	0	10	BJAE	
CC(C)c1nc2cc(Cl)c(Cl)cc2s1	142489717	IRYAWJHNDKUJCQ-UHFFFAOYSA-N	246.162	4.727	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C[C@@H](C)CCC	162164779	VLEKXYFLBSLLJV-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2cccc(C)c2F)C1	166328587	IIKNPFOMCOFFNT-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
CCC(CC)CC1(O)CCC(C(C)(C)C)CC1	167600045	KIFJKLWZWLQPLN-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC(=O)c1cc(Cl)cc(Cl)c1	167964358	PUGUTDQWWVSIMD-UHFFFAOYSA-N	245.149	4.612	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H]1CCCCC1(C)C	226804927	AWNZWDFFWXKRAL-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@H]1CCCCC1(C)C	226879918	JHKVOHOILHFWPC-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)[C@@H]1CCC[C@@H](CC)C1	227005791	VXOJEIYDJNWCIP-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCN[C@@H](c1cccs1)C1CCCC1	228859707	DKWHSLRAKQJNNC-OAHLLOKOSA-N	249.423	4.535	0	10	BJAE	
Cc1cc(-c2ccc(C3CCCCC3)cc2)on1	259076147	CPWPTXUTZAGIEM-UHFFFAOYSA-N	241.334	4.698	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H](C)CC(C)C	300973241	SKCTWRPFLBYZMH-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
CCC[C@@]1(CCC2CCCC2)CCCCCN1	302269298	QSSXXROWGJFHHH-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1ccccc1C1CC1	302290758	LCIWZZUIAROHIJ-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
Cc1csc2cc(Cl)c(Cl)cc12	306901924	HKAAAIONPHWXGA-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCOc1cc(Cl)c2ccsc2c1Cl	307117721	VCCVDBAFUYTOAC-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CC1CCC(COc2ccccc2Cl)CC1	309452648	OTYRROLFDSKMRJ-UHFFFAOYSA-N	238.758	4.545	0	10	BJAE	
CC(C)NC[C@H]1CCC[C@H]1CCCC(C)(C)C	309995802	WEXOPUYETHHKRN-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(O[C@@H]2C=CCCCCC2)c1	310061480	RVQPSOGICILJHF-OAHLLOKOSA-N	230.351	4.517	0	10	BJAE	
CCCC[C@H](C)C(=O)Cc1c(C)cc(C)cc1C	310700068	YHAGEEJDZMRPNZ-ZDUSSCGKSA-N	246.394	4.550	0	10	BJAE	
CCC[C@@H](Nc1cc(F)ccc1C)C1CCCC1	313409250	MVTHVHIDOKHMJA-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
CC(C)CC[C@]1(CNC(C)(C)C)CCC[C@H]1C	318252478	MSFCGZRBTMXMRQ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCCC2)CCC[C@@H](C)C1	318590930	LXNWDMNMVNXDAG-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C[C@H](CC(=O)C(C)(C)C1CCC1)c1ccccc1	322632305	SOBQFBKUALYNEC-CYBMUJFWSA-N	244.378	4.576	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC1	323979257	JQFPHWWFHZYTTA-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCC1	324615841	AHLNKFRCJHKYJW-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCC[C@H](C)CC1	383168322	KKZMYAQSNBBUDL-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](C)C[C@H]1C[C@@H](C)c2ccccc2N1	383346209	YXLZLZJPPAAFGW-MJBXVCDLSA-N	231.383	4.801	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@@H]1CC(C)C)c1ccccc1	385845842	ORTLPJQSYGDAIT-ULQDDVLXSA-N	245.410	4.552	0	10	BJAE	
Cc1cccc(NCC2(C)CCCCC2)c1F	394540636	AKAOFXCIZSWTDH-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCc1cc2cc(C(F)F)cc(CC)c2s1	396165845	GOTRHQGLYNYICU-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCOc1cc2cc(C(F)F)cc(C)c2s1	396256515	XQKQQOGGXMUZBV-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1c(C(F)(F)F)ccc2scc(C)c12	396311753	XECSUYFXCOMZAG-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
C[C@H]1CCC[C@@](CCCC2CC2)(CNC2CC2)C1	405946352	CHYYLWNRWMJYAE-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
FC(F)c1cc(Cl)cc(Cl)c1C(F)F	575676365	HQTLATQHTHRDCM-UHFFFAOYSA-N	247.018	4.869	0	10	BJAE	
CCCC1([C@@H](O)C2CCC(CC)CC2)CCC1	686921551	GIVKCMRHFVMKJM-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](NCCCC1CCC1)c1ccc(C)cc1	689012607	NWIBPAZNEOHKCC-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H](Nc1ccc(C2CC2)cc1)c1ccco1	690102811	QPIWGSDAGIMBFI-OAHLLOKOSA-N	241.334	4.720	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H]1C[C@H](C)[C@@H]1C	690188847	JMQKYSQAEATJTM-HEHGZKQESA-N	245.410	4.576	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1ccccc1C	691137225	KDSKZSITJPOTMZ-ZBFHGGJFSA-N	231.383	4.766	0	10	BJAE	
CCCC[C@@H](C)c1ccsc1CNC(C)C	693079029	FZSXHIYPCJMTNE-GFCCVEGCSA-N	239.428	4.540	0	10	BJAE	
C[C@H](Nc1ccc(C2CCC2)cc1)C1(Cl)CC1	695698846	ZYCKQEWGPRKJPE-NSHDSACASA-N	249.785	4.526	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1c(C)cc(C)cc1C	696591246	CJRMDTAAISHRIZ-HNNXBMFYSA-N	247.426	4.828	0	10	BJAE	
CCC(C)(C)CC[C@H](CNCC(C)C)C(C)C	696677689	KVBDLXHCZQUBDX-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
CCC(C)(C)CCc1ccc2c(c1)CC[C@@H](C)N2	696689514	YNNWLWBMCMDSRV-CYBMUJFWSA-N	245.410	4.802	0	10	BJAE	
CCc1ccc([C@@H](O)CC(C)(C)CC)cc1CC	697292283	KEKWUZZNRVVNAQ-INIZCTEOSA-N	248.410	4.671	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)c1cccc(C(C)C)c1	701579329	VBSRRMPLJLUFEK-NVXWUHKLSA-N	246.394	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](C(N)(C2CCC2)C2CCC2)C1	705333036	DRUCPPHHPSPUPY-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)[C@@H](C)CC(C)C	708278989	APBFAVZYCLVBFZ-WMLDXEAASA-N	247.426	4.753	0	10	BJAE	
CCC[C@](N)(C[C@@H](C)C(C)(C)C)[C@@H]1CC1(C)C	710738316	PCNVXJZOQQRBTO-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C12CCC(CC1)C2	710976007	CRIMRPJIXUJIGL-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN[C@H](C2CCCC2)C2CCC2)CC1	711829930	CHKBGRGPRFOEKW-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cc2ccccc2s1	713131773	LJQMRYUNGLTEND-LBPRGKRZSA-N	247.407	4.727	0	10	BJAE	
CC(C)c1ccccc1NCC(C)(C)C(C)C	713148027	IZJLQUUVRQZWDT-UHFFFAOYSA-N	233.399	4.904	0	10	BJAE	
CCCC1CCC([C@@H](N)CC(C)(C)CC)CC1	713174367	KYBFPFDAJGGJKG-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
C=C/C=C/CCC(=O)c1cc2ccccc2s1	713675305	QHGCBHOZWCEBLE-ONEGZZNKSA-N	242.343	4.606	0	10	BJAE	
C=C/C=C/CC[C@]1(CNC(C)(C)C)CCC[C@H]1C	713741519	XUHBCKNHEBQDDT-FKDHNMLASA-N	249.442	4.703	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1C2(CC2)C12CC2	720318617	BDISIPURNXTOPP-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C=C/C=C\CCN[C@@H](CCCCC)C(C)(C)C	1459831157	CQTYGYHAZKKETP-WWRUEGTHSA-N	237.431	4.703	0	10	BJAE	
C(CSC[C@@H]1CC[C@@H]2C[C@@H]2C1)CC1CCC1	1559447199	ZHVUAHNZVRIPBA-KFWWJZLASA-N	238.440	4.736	0	10	BJAE	
C1CCCC(CCN2CCCC3(CC2)CC3)CC1	1560040514	SJGAXQCKWPEBAR-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1CN[C@@H](C)CCCC(C)C	1560837968	HIDPMIXNBZRNNI-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@H](C)CC(C)C	1900580969	ROSFFDDVUNTCJY-HUUCEWRRSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)[C@H](C)CC(C)C	1905385122	ZOWFFHIJKJMLHB-QLFBSQMISA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC(=O)C[C@H](CC)C1	1905431526	KRBYKUMVNTVMSC-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
C=CC=CCCC[C@H]1CCCCC1(F)F	1911781509	NYEOBKAZORKDPX-LBPRGKRZSA-N	214.299	4.724	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1CC1[C@@H]2CCC[C@@H]12	1913389666	MGIDYEIPXWNUPV-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC(N[C@H]2CCC3(CCCC3)C2)C[C@H](C)C1	1916439548	AHWQWZCVZJKLHH-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@](C)(N)c1ccc(C(C)C)cc1	1920440451	LXOKZJVXHCUXQD-KRWDZBQOSA-N	247.426	4.810	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C1CC(CC)C1	1921261357	ISQLVCMFRBRVJN-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1NC1C[C@H]2CCC[C@H](C1)C2	1923464975	CFVXIDTWMBGVKB-KBPBESRZSA-N	243.394	4.630	0	10	BJAE	
C[C@@H](C[C@](C)(CN)C1CCCCC1)C(C)(C)C	1924126142	JMXJSYYQWQZJOE-XJKSGUPXSA-N	239.447	4.604	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@H]1C=CCCCC1	1925790586	KTVDBYRUZIMZTL-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@@H](C[C@H]2C[C@H]3CC[C@H]2C3)CCCC1	1925819393	JZMSTBVPNRZQFN-QPSCCSFWSA-N	204.357	4.559	0	10	BJAE	
CC(C)=C(C)CCC(=O)CC[C@@H]1CC1(C)C	1935914915	UYGQDSBQFKCXLJ-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](CC)c1cccs1	1937268287	PJNOCHVTJDLHLX-STQMWFEESA-N	239.428	4.615	0	10	BJAE	
CC(C)CCC[C@H](C)NCCC[C@H]1CC1(C)C	1940877547	RIHQFFLOTAXHPP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(C(C)C)C1CCC(C(C)(C)C)CC1	1941145125	WALMSXVEVZZVPK-ZBCRRDGASA-N	239.447	4.602	0	10	BJAE	
CCN[C@H]([C@@H](CC(C)C)C(C)C)C(C)(C)CC	1941263363	AZYWRRYIJXPRDA-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCCCC[C@H](CCCCCC1CC1)NCC	1941585359	FIZFRWZXGNHWOF-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)CC1CCC=CCC1	1941792258	CHYBLANRAFUWHO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944202065	HBVSTKQWPRCWTE-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H](N)CCC1CCCCC1	1944820189	PMRLKHJBQPMYIQ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2CCC[C@H]2C)CC1	1944821184	VZTXHYMGGPGBIQ-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)CC2(C)CCCCC2)C1	1945581545	GOBQWXNUEMIRNN-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCS[C@H](C)C2)c1	1946352887	IZPDUDIATGNKNW-IUODEOHRSA-N	249.423	4.506	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC(CC)(CC)CC	1947468336	YRUNYJCXSIJFFI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)C[C@H]1C=CCCC1	1947570473	RHNSOGRSTYHFEI-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)N[C@@H](C)C1CCCCC1	1948324504	AKQNUDIMWRPEPU-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@]1(N)C[C@@H](C)CCC1=C(C)C	1948971510	XYWCLXYBXJZREM-HOCLYGCPSA-N	237.431	4.811	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCCCC[C@@H]1C(C)C	1949088478	VUXRZODNMMSJDT-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@H]2CCCCCCCC[C@H]2O)C1	1949400212	UCRLIXZZEHXSOU-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)C2(C)CCCCCC2)C1	1949517837	KLJXGGWYUYRURN-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CNC2(CCCCC2)C1	1949535275	BFTCCCNOWDKVRU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC[C@H](N)[C@@H]1CCCC(C)(C)CC1	1950921245	DGMUCDRLEKXZHA-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@H](O)C1CC2(C1)CC(C)(C)C2	1950950574	GNDNANBHXNMSNM-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)CC12CCC(CC1)C2	1950956940	CIUDTYPGLXQRPZ-VQCLRJIVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)c1nc([C@@H](C)CC)cs1	1960043439	DIFONTUAMJRGIH-WDEREUQCSA-N	225.401	4.950	0	10	BJAE	
CCCC[C@H](CC)NCc1ccccc1C(C)C	1963238832	XJRVFQNJRGGENZ-INIZCTEOSA-N	247.426	4.868	0	10	BJAE	
CC1(C)CCCC[C@@H]1CN[C@@H]1CCCC12CCC2	1966249402	JHLBQUZADFRUCV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(NCC2[C@@H]3CCCCC[C@@H]23)c1	1968307762	PSMTVJLXVIIXHL-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
Cc1ccc(-c2nc(C3CCC3)cs2)cc1F	1968563303	PKFZQCJOEVNPFH-UHFFFAOYSA-N	247.338	4.525	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc(CC)c(C)c1	1972025377	ZVRZKOVACGLSPQ-WBVHZDCISA-N	245.410	4.938	0	10	BJAE	
CCC[C@@H](NCC(C)(C)CCC)[C@H]1CC1(C)C	1973163485	FIYNDILPRNXYAL-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)CNC[C@@H]1CCC[C@H](CC)C1	1973163735	IXEDXGRHCUWSIF-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CCC(=O)c1sc(C)cc1C	1978451597	LYFKRBVCYXKCAM-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CCCC1(CC(=O)[C@H](C)C(C)(C)C)CCC1	1988428909	YOXAODLMRWBKFM-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC1(C[C@@H](O)CCCC(C)C)CCC1	1988464864	USHRKBBWICYKOK-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC=C(C)[C@@H](CC[C@@H](C)CCCC)NCC	1995204688	QLRCEPYJCRUJET-DZGCQCFKSA-N	225.420	4.537	0	10	BJAE	
Fc1cc(Cl)cc2c(C3CCCC3)coc12	1995498720	SJZMSFHMWWLLCI-UHFFFAOYSA-N	238.689	4.883	0	10	BJAE	
C[C@H](CN(C)[C@@H]1CCCCC[C@H]1C)C(C)(C)C	1995748807	VTAQMFZSJGPEHJ-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2CC[C@@H](C)C2)CC1	1996235185	JILNAFDMMCWQRS-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](C)C1)CC(C)(C)CC	1996273085	YADFXJUFTDMQSG-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@H]1CCC=CCCC1	1999986398	UAKLPBGSGKZFIY-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H]1CCC=CCCC1	1999998648	LACLVCMJUUNVMC-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
C[C@H](CNC(C)(C)C)C[C@H]1CCCC(C)(C)C1	2000161534	GMCPNTXNPBQPOG-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CCCC(F)F)CNCCC	2000517329	BUBXWRIWNQOSIN-CQSZACIVSA-N	249.389	4.618	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@H]1CC12CCCCC2	2001224136	GJPDLLCJIIZXNH-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@H]1CC12CCCC2	2001272480	TVVAOKPCHVWMAC-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCCC1(F)F	2001814495	ODDORRHRSUFCHL-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1[C@H]2CCCCC[C@H]21	2002164552	HCDAVTDVQDBDCC-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC([C@@](C)(N)CC2CCC2)CC1	2002922404	XYWQGSAYZPTHSQ-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(O)[C@@H]1CCCC(C)(C)C1	2003004762	HOYFBLABTLWBSI-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCc1cccc(-c2cc(C)cc(Cl)n2)c1	2003073610	ZQBUUNQSUPGSCC-UHFFFAOYSA-N	245.753	4.663	0	10	BJAE	
CC1(C)CC(CNC2CCCCCCCC2)C1	2003102373	XRQWBYZIRLDLSE-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1NCC1(C)CCCCCCC1	2004937550	QMRLWAHAYFTTOY-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC=C(C)[C@@H](NCCC)C(C)(C)C1CCCC1	2007853643	MGOGDYIURDJQSG-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](CCC)CC[C@H]1CN	2009616112	GBVQXVXSKNKLEN-OAGGEKHMSA-N	237.431	4.524	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H](C)C1CCC1	2009629520	SUIUFXBOYKYCGG-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(N)(CCC2=CCCCC2)C1	2009788411	BZSREESDLFOPSJ-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1CC[C@@H](CCCC2CC(=C3CCC3)C2)O1	2011083346	NINZCHLVCRHGEG-MLGOLLRUSA-N	234.383	4.615	0	10	BJAE	
CC(C)(C)CCCN[C@H]1CCCCCC12CC2	2011278058	QGSYWAOCRAXXEQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@](N)(CC(C(C)C)C(C)C)C(C)(C)C	2015396369	DQHNGQKHISPEFG-MRXNPFEDSA-N	241.463	4.848	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC(C(C)C)C(C)C)C1	2015396908	GKENDCLQKYTZIX-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCCC[C@H]2C)CCC1	2015584560	LYLYRWXOPCHSGA-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1(CC2CCC2)CC1	2015784171	NTFUVPSJFAIJBF-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CN[C@H](C)CC1=CCCCC1)C(C)C	2016107836	ZJNOOOBNRPTNSA-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C1(C[C@]2(O)CCCC2(C)C)CCC1	2017113845	FTLXJSABPYSOQS-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC)C1(C(C)(C)C)CCC1	2017131837	VVPXZKYEWWSBEV-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CNc1ccc(C(C)(C)C)cc1	2017432851	YIHABVSITOSSGI-UHFFFAOYSA-N	231.383	4.752	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C(C)=C(C)C	2017484957	BUEVFSOTGONRBU-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC1CCC(CC2(O)CC(CC)C2)CC1	2017642286	FQPMTPBSSWQHIK-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](CCC[C@@H](NC)C(C)C)CC1	2017733647	MMUJRMBJMZNFPN-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C)CCCCN)CC1	2017737286	JXLXHUIIAGIYSK-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cc(C)cc(F)c1	2018138949	MOLMIAMMRTVLLQ-CQSZACIVSA-N	237.362	4.905	0	10	BJAE	
CCC[C@@H](CC)N(C)CC(C)(C)C(F)(F)CC	2018185940	UWFDNUNNNQFWII-GFCCVEGCSA-N	249.389	4.568	0	10	BJAE	
CCCC[C@H](C[C@H]1C[C@@H]1C(C)(C)C)NCCC	2022486945	ZFYYPAZNNLKVJJ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCCC(=O)C[C@@H]1C[C@@H]1C1CCCCCC1	2022553073	CONQMNOTWRNFAS-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1=CCCCCC1	2023338309	DVDAAIOHNNFYCL-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CCCN[C@H]1CC(C)(C)C[C@@H]1CCCC(C)C	2023615365	ZNUUGYMSCAREPU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCc2cc(CC3=CCCC3)ccc21	2023641126	JWQZABSZPYWTDV-UHFFFAOYSA-N	226.363	4.563	0	10	BJAE	
Cc1ccc(-c2cc(N)c(C)cc2Cl)c(C)c1	2023938881	GPSHOCZZNDWDAM-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)CCC2CCC2)C1	2024100716	FKMHDNCNAARQNU-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H]1CCC(C)(C)C[C@@H]1CCC(C)C	2024122566	IPKMQGPDQVMYGW-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1cccc(C)c1	2026140784	DGVDZQZVBQWTHV-XJKSGUPXSA-N	234.383	4.635	0	10	BJAE	
CC1(CC(=O)C2CCC3(CC2)CC3)CCCCC1	2027274260	CAFXMHCSBKNJTL-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
Cc1cccc(C(=O)[C@H](CC(C)C)C(C)C)c1C	2028254992	MAWIIOOJFYKMJX-MRXNPFEDSA-N	246.394	4.804	0	10	BJAE	
CC[C@@H](C(=O)Cc1ccc(C(C)C)cc1)C(C)C	2028257877	MUSAWRRBEGYUJG-MRXNPFEDSA-N	246.394	4.604	0	10	BJAE	
CCCCC[C@H](NCC)c1ccccc1C1CC1	2028561063	WROHHIMQQCAXAS-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)c1ccc(C2CC2)cc1	2028593620	OIXUKRCBFGETRB-HNNXBMFYSA-N	246.394	4.670	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@H]3CCCC[C@@H]32)CCCCC1	2028788369	YQFGDTZQIFOPBT-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC([C@@H](N)CC2CCC=CCC2)CC1	2028896834	GZNKBRFNZTWRMT-INIZCTEOSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CCCC(C)C)c1ccc(C2CC2)cc1	2029080402	HFWJXJRUKNTLAZ-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)c1ccc(C(C)C)cc1	2029822909	FXNUFTAMJBAADN-YOEHRIQHSA-N	247.426	4.882	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@H]1CC12CCC2	2032132331	PIGMQFHWBOOVMW-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(N)c(-c2ccccc2C(C)C)c1	2034366577	COLWCIXKWGMUBM-UHFFFAOYSA-N	239.362	4.622	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC12CCC2)C1CCCC1	2035889195	CSMSJSKCTRRGIS-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)C1=CCCCCC1	2037094458	LBPXQIKYCBWLST-RHSMWYFYSA-N	247.426	4.731	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@@H]2CC=CCC2)CC1	2037165432	DXEBRELUWMSQCK-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H]1C=CCCCC1	2037273141	MZXCOHFGMDERQO-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CCc1cccc(CC)c1N[C@@H]1CCC(C)(C)C1	2037593847	MWJWMGOCVFKSOL-OAHLLOKOSA-N	245.410	4.802	0	10	BJAE	
CCN[C@H]([C@@H]1CCC2(CCCC2)C1)C1(C)CCC1	2037766279	IMTXDQOADWSKNH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H](C)C1)c1ccccc1	2038138950	PLNKTXIWVHLGQS-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
CCCNCC(=C[C@@H]1C(C)=CCC[C@H]1C)C(C)C	2039434643	KTGPNYRDYSTBCL-NVXWUHKLSA-N	249.442	4.561	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](NC)C2=CCCCC2)CC1	2041379843	NWCRHFCUKZVVFS-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@H](N[C@H]1CCC2(CCC2)C1)C1CC1	2043609941	SVVZOKJFRJXMEV-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC1(CCNC[C@@H]2CCC=CCCC2)CCCC1	2045332658	QPORMHMBUGDXRJ-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2CC23CCCCC3)CC1	2047005756	VXTMHHPFKYSXLO-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C(=O)C2(C)CCCCCCC2)c(C)o1	2052460796	KMJJJJBSNFGNQB-UHFFFAOYSA-N	248.366	4.830	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)[C@H]1CCCCC12CCC2	2053430498	QHPWVJCRERRLPV-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@H](C[C@H]2C=CCCCC2)C1	2055016849	MXUOZYSGNSWGEJ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@@H]1CCC(C)(C)C1	2056879319	RWNATEFYTMWTCM-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2[C@H]3CCCCC[C@H]23)CC1	2059004065	UDITVXFEUSOEEN-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](NC)c1c(C)cc(C)cc1C	2059255082	FBSGBEMHIFWIOR-INIZCTEOSA-N	245.410	4.619	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)[C@H]2CCC[C@@H](C)C2)CC1	2061087684	HNCAVDBILXTUJH-YQFWSFKMSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(N)CCCCC[C@@H]2C)CC1	2061113104	LQVYFEPCGLEKFF-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CC[C@](N)(CC[C@@]12CCC[C@H]1C2)C1CCCCC1	2061618361	UQSOVTXEMRMYMB-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)C[C@]12CCC[C@H]1C2	2061618888	XILBQROGTUUTBD-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@H](N)CC2C[C@H]3CCC[C@@H]3C2)CCCC1	2063489895	GYWALCPYYBWAHM-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)NCCC12CCC(CC1)CC2	2065260709	SPVOJVDZWUVFTM-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)CC12CCC(CC1)CC2	2065280213	RUZDCPABOBNQIE-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCC1)CC12CCC(CC1)CC2	2065304756	DAMLXJAUHSPAHQ-WIHSUSGWSA-N	249.442	4.645	0	10	BJAE	
CC[C@@]1(CCC(C)C)Nc2cc(C)cc(C)c2O1	2065996614	ZFIQTMFDNJVHMR-MRXNPFEDSA-N	247.382	4.650	0	10	BJAE	
CC(C)C(CCC[C@@H](O)c1ccccc1)C(C)C	2068819464	BBYSNXTTYLYWSO-QGZVFWFLSA-N	248.410	4.819	0	10	BJAE	
CC(C)C(Cc1cccc2c1NCCC2)C(C)C	2069001628	GZEUXLZSQUULKL-UHFFFAOYSA-N	245.410	4.515	0	10	BJAE	
CCN[C@@H](CC[C@H]1CC12CCC2)CC1CCCC1	2069172826	CZADQUKDONRBLD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCc1cccc(C(=O)C2(CC(C)C)CC2)c1	2069499316	FEDCBMPYDCVZME-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCc1ccccc1OCC1(C(C)C)CCC1	2071916897	FDYFUJKEUUDELH-UHFFFAOYSA-N	246.394	4.844	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1	2071923696	HPROFZUUZQWERJ-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CC[C@@H]2C2CCC2)CCC1	2071941416	TWBUCIUOKYMKCK-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H]1CC2CCC1CC2	2072416908	KHWOOUXCIFUJCL-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)C=C1CCNC2(CCCCC2)C1	2074141723	MSYZKNQCNYXSJJ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@H](C)N1CCC[C@@H]1c1ccccc1	2075246298	ZSWIXXOWWPPUIX-DOTOQJQBSA-N	245.410	4.648	0	10	BJAE	
O[C@]1(CCC2=CCCCC2)CC[C@@H]2CCCC[C@H]21	2075720464	IMCRHFVKIUCQKP-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2c(C)cccc2F)C1	2075981213	PWIRDWBTJNWOIL-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
N[C@H](CCC1CCC1)[C@@H]1C[C@@H]1C1CCCCCC1	2079430313	CSSAXJYDNZZPSM-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@@H]1C[C@H]1C(C)(C)C	2079625903	GUZNBPMDHHJTOG-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CC[C@@H]2C[C@@H]2C1	2081788066	HUUBYJLMCDVFEP-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CCCNC12CCCC2	2083814569	RQUQUOYORQYJHH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)C[C@@H]1C=CCC1	2084998843	SSAINVYXHUAKAD-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NC)c1cccc(C)c1	2086051403	UFTWWKODQXBXSC-RHSMWYFYSA-N	247.426	4.862	0	10	BJAE	
CC1(C)C[C@H]1C[C@H](N)CCCCCCC1CC1	2213578777	PTLMABUCQREJHK-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@@H]1CC)C(C)(C)CC	2215247668	HENQZHJGWKCUKN-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@@]1(C)CC=C(C)CC1	2215821715	QQZLFYBDKBJNMP-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
C[C@@](N)(CCCCCCCC1CC1)C1CCC1	2216861833	WYDZEIHODHUSCV-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C)NCC1([C@H](C)CC(C)C)CCCC1	2217133945	FYPHTGHSKREYSW-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218337731	FOJLYQLRGHHMBO-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
CN(CCCCC1CC1)[C@@H]1CCC12CCCCC2	2218673779	XCNQXLQBPCFWAW-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1CC)c1ccccc1	2220874928	IZACRDKKWYYJDS-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@@H]1C[C@H]1C1CCCCC1	2220963488	SPFILKBHFLVYHM-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
C=CC=CCCN(C)[C@@H]1CCC[C@@H](C(C)(C)C)C1	2222269649	SOGHKHHEAAYZAT-HZPDHXFCSA-N	249.442	4.655	0	10	BJAE	
C1CCCC(C2(CNC3CCC3)CCCC2)CC1	2223590231	VOEXDYAKTRCQLV-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cccc2ccoc12	2224193386	WSIGNTDNDQQLQJ-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CCCC[C@](C)(O)CC[C@H]1CCC[C@H](C)C1	2242791628	VROXDOVUHQROOU-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1CCC1(C)C	2243144749	TUMDSEDZHVAYCA-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC1=CCCCC1	2247489860	JZUXUFPKXCGHEO-HOCLYGCPSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)[C@@H](N)c1cc(C)c2sccc2c1	2248580207	VSYZCWONWPRXRZ-CQSZACIVSA-N	247.407	4.646	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)CCC1(C)CC1	2248822373	SUTMWEIBWOFOOU-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(N)(CCCCC[C@@H]1C[C@H]1C)C(C)C	2248876171	AREDXWQGCHEMCC-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](F)CC(C)(C)N	2250481949	PZOIUXZDHIRYDK-UONOGXRCSA-N	245.426	4.695	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](CN)CC(C)C	2250530129	STIKQLMWFOCABF-JKSUJKDBSA-N	241.463	4.850	0	10	BJAE	
Clc1ccc(NC[C@]23CCCC[C@@H]2CC3)cc1	2251171852	QDDKGRNTHRNRNR-IUODEOHRSA-N	249.785	4.722	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@]12CCC[C@@H]1CC2	2251196285	DJNKNRJQVZQHDQ-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@@H](O)CC1CC(CC(C)(C)C)C1	2251533480	DDTFOTIMORSHQI-PIMMBPRGSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCN(CCC1CCCC1)CC(C)C	2252640385	UTFISTNWULHRCG-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CC(C[C@H](N)C[C@@H]2CCCCC23CC3)C1	2253831483	JGEVRFACGFFFDN-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(NCC[C@H]2CCCCC23CC3)C1	2253888110	CMGXVXLOZITUJJ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N)CCCCC12CC3CC(CC(C3)C1)C2	2253980557	FGKHEAFEZHHGRQ-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC[C@@H](C)C1)c1ccoc1	2253999868	ZPUXWEXWUDRUQW-IIAWOOMASA-N	249.398	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC1(C)C)[C@@H]1CC=CCC1	2254970568	FOZXBVYWNMMQDF-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]1C[C@H](CC2=CCCCC2)CC(C)(C)C1	2255138051	SPSLDMUEBSOEBV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@H](C)[C@@H]1CC12CCC2)C1CCCCCC1	2256437967	TWOZRMMRUHKAFB-LZWOXQAQSA-N	249.442	4.514	0	10	BJAE	
CCCOc1cccc(NC[C@@H](CC)CCC)c1	2259466087	YQEHDKQRPPQAEC-AWEZNQCLSA-N	249.398	4.714	0	10	BJAE	
CCC1CCC(CN)(C[C@]23CCC[C@@H]2CC3)CC1	2260673867	TWVLLZXTDDFPMX-MNAZLIDISA-N	249.442	4.502	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](C[C@@H]1C[C@H]1C)NCC	2297868384	ZWOCJIUTJAEJAV-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1C)[C@@H](CC)CCC	2298646391	WUAFGCQBWGAYGJ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1CCCC[C@H](CC=C(C)CC)C1	2300896482	IVTAGPBIDOQWDT-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@@H](C)[C@H](C)C(C)C	2301837163	QVQCIBZGPVTHCL-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
Nc1cccc(SCCCC2=CCCCC2)c1	2302327634	ATWJVXXPIBDBEN-UHFFFAOYSA-N	247.407	4.642	0	10	BJAE	
O[C@@H]1CCCC[C@@H](CCCC2=CCCCC2)C1	2302342796	MVUMBSOVOCBEBC-JKSUJKDBSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@](C)(N)CCCC1=CCCCC1	2302343494	WFBUBJUZKVXPIV-MRXNPFEDSA-N	237.431	4.955	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C(C)=C(C)C	2302577644	RAACBNJNMNDYJF-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303498992	ZZXMJEFJQVQCLM-BFHYXJOUSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@@H](CCC)CCC1=O	2307801540	NSDWFHMMSCULNQ-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@H](C[C@@]23CCC[C@@H]2C3)C1	2310886587	SJDOHOHBERTMHG-SZOQZIPDSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](C[C@@]23CCCC[C@@H]2CC3)CC1	2313323323	ZNBKOUHOPCVHAQ-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC=CC[C@@H]1C[C@H](CCC)CC[C@H]1CNC1CC1	2316568547	RBEPHFHGVOVFOI-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC=CCC(=O)c1ccc(-c2ccccc2)cc1	2316569338	DEAJSKCUTNNFHQ-UHFFFAOYSA-N	236.314	4.503	0	10	BJAE	
O=C(CC1CCCCCC1)[C@H]1CCCCC12CC2	2316881434	PUQYUVQVONOCOC-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCCc1ccc([C@H](O)[C@@H](C)[C@H](C)C(C)C)cc1	2317826657	GJSZGGFLKLFXKF-JKIFEVAISA-N	248.410	4.601	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@]12CCC[C@@H]1CC2	2317946513	XAOCLGSJRVGRAO-NVXWUHKLSA-N	246.394	4.807	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)c1coc2ccccc12	2317991305	SLMPXKZTYQXERQ-RYUDHWBXSA-N	244.334	4.544	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CC(C)(C)[C@H]2C)c1	2318181353	DLBYKGMFOTWLMQ-LRDDRELGSA-N	245.410	4.658	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CCC[C@H]2CC[C@@H]21	2318538384	CNKWCDCKAKBNKD-YESZJQIVSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@@]1(C)C=CCC1	2318589961	WAXGQJITYRCNNL-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
Cc1oc(C)c(C(=O)C[C@@H]2CCC(C)(C)C2)c1C	2319138936	PRGOKSGRVPBOID-ZDUSSCGKSA-N	248.366	4.604	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)CC(C)(C)C2CC2)CC1	2320395152	UYEAMMYWFJSZND-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CC(=CC=C1CN[C@@H](C(C)C)C1)CCCC(C)C	2321506316	ZJRIGZKHMUAHIY-QGZVFWFLSA-N	249.442	4.703	0	10	BJAE	
CC(C)c1cccc(NCCCC2(C)CC2)c1F	2327767643	UTANMZYMKCLDJA-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)c1cc(C)cc(C)c1	2328272465	LLSDBGKXNVXBJX-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
CCCC(CCC)N[C@@H](C)CCCC(C)C	19230360	ZBSCJXZRIQBGGD-AWEZNQCLSA-N	227.436	4.760	0	10	BJAE	
CCc1ccc([C@@H](N)CCC2CCCCC2)cc1	21060028	STXXQFSYRCSOJB-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccccc1C	21505647	FBVJEYICUOFDDG-JSGCOSHPSA-N	219.372	4.622	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@@H](C)CCCC(C)C	21809697	OUJXCCWNVMAJHE-HOTGVXAUSA-N	247.426	4.860	0	10	BJAE	
CC[C@@H](C)c1ccc(NC(C2CC2)C2CC2)cc1	36953618	SEHBFPFOQZXACT-GFCCVEGCSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@H](CC)Nc1cccc(SC)c1	68985291	QWVKAKGKULOERL-LBPRGKRZSA-N	237.412	4.789	0	10	BJAE	
CCCCCC(CCCCC)N[C@H]1C[C@@H]1C	71106423	ACYXOCCULZOJGB-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(CCC)CNC	71127673	CSZJJAVMBGMRFL-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
Cc1cccc(Cl)c1-c1cc(F)ccc1F	85389199	BCOBTRODRWPKAD-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CCC(C)(C)C)CC1	86939934	PQYMPNGMGVMHFZ-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCC2(C)C)CC1	94322509	CWXCXTJLRZTUAR-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)c1ccc(CC)cc1	109722788	KTMDGKFCLUPICE-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2ccccc2C=O)cc1	109777448	GYNRIXJFRHETMN-CYBMUJFWSA-N	238.330	4.680	0	10	BJAE	
CCCN[C@@H](c1cc(C)oc1C)C1CCCCC1	110227842	XPRVNZWBRRFVGO-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc2ccccc2c1	110462924	BIYSDHXHAUNQIP-QGZVFWFLSA-N	241.378	4.810	0	10	BJAE	
CC(C)c1cnc([C@H]2CCC[C@@H](C)C2)s1	132187595	KOOKNCOYOSTHPZ-MNOVXSKESA-N	223.385	4.560	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCC)C(CC)CC	132584042	IGTPFLHRJSNIGL-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCCC1CCC([C@H](CCCC)NC)CC1	158300441	GVVREJSSBDDKPE-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@@H](N[C@H](C)c2ccccc2)CC(C)(C)C1	159807404	WIVXLGBRRYXYGB-SQWLQELKSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@@H](CC1CCCCC1)NCCC	162029140	TUPNFHZUAGUYMZ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)c1cc(C)ccc1C	162224001	FJBGGYLSVNMFIB-DYVFJYSZSA-N	247.426	4.780	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC[C@H]2CC)cc1	163771169	HDWLQVMCLTZLFR-GDBMZVCRSA-N	231.383	4.630	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(C(C)=O)cc1	163916835	KWEZWLBQTTVNDG-ZDUSSCGKSA-N	247.382	4.660	0	10	BJAE	
CC(C)C(=O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	164022144	JOONNUOLAAJQOA-JOHJCKIYSA-N	248.410	4.598	0	10	BJAE	
CCCCC1CCC(C(=O)C2CCCC2)CC1	164037977	IMYHEUFINPNOGK-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
O[C@H](CC1CCCCCC1)CC1CCCCC1	168814021	FBLXLQRPJHKHOJ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC(C)(C)Nc1ccc2ccccc2c1	169067496	OOJNLKDKDYFKLC-UHFFFAOYSA-N	227.351	4.830	0	10	BJAE	
CC(=O)c1cccc(C2CCC(C)(C)CC2)c1	216514208	UAANTBPBPKMGLC-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC[C@@H](C)[C@@H]1C	222322595	RCPYMEWUWPYWAG-UGUYLWEFSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](O)(CC)CCC1CCCCC1	223305712	KSTJUDSCAZRQHR-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@@H](C)CC1	225984005	YDDCGEOABLEFEE-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)c1cccs1	225985799	FBDPJVYRGUGNDK-CHWSQXEVSA-N	239.428	4.758	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CCCCC2(C)C)cc1	226525363	QTBQFNSBCKTZMY-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@@H]1CCCCC1(C)C	226825735	CNDUREMSCQMIAX-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H]1CCC[C@@H]1C	226879614	BZDQCMYDZXOTQX-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NCCC2=CCCCC2)C1	230986453	KBDCOEXLUYLQGY-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@H](NCC2(C)CCCCC2)CC1	235604431	RZDTWCUOGLGOFO-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
S=c1cc[nH]c(-c2ccc3ccccc3c2)c1	236604095	TXOGMLHQNWBXTD-UHFFFAOYSA-N	237.327	4.564	0	10	BJAE	
CC[C@H](C)C[C@]1(O)CCCC[C@H]1c1ccccc1	251671461	CNBAJRUZILXHJF-BHYGNILZSA-N	246.394	4.512	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@H]1CCC[C@@H](CC)C1	251822881	ZSRKBJBBNCJGGC-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CC(C)(C)C[C@H]1C	300134072	HVIJWBRAVSYABC-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)c1cscc1C	300778670	AWVYYWWPYVXWGN-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC(C)C[C@@H](C)CNc1ccc(F)cc1Cl	300999235	WUSIPRISAPUBTJ-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CCNC[C@@H]1CCCC[C@@H]1CCCC(C)(C)C	302290110	LBHUPTGCTJAGOT-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CSc1ccc(S)c2sc(Cl)cc12	306866405	NUPBFZQFCAWSTN-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1cc2cc(Cl)c(CC)cc2s1	306897465	TVZFXNLHHFWKBQ-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCc1csc2cc(SC)cc(Cl)c12	307288710	CZJHDGYAQICXMF-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC(C)[C@@H](C)CNc1ccc(Cl)cc1Cl	308901156	GPWYUFRNORYECD-VIFPVBQESA-N	246.181	4.697	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C[C@@H](C)C(C)(C)C)C1	310103532	CFMZRJBYEJLSEC-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C)[C@H](C)CC1CCC(C)(C)CC1	310174963	UWBMJIGNYDXOIQ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](NCCC2(C)CCCC2)CC1	310190789	ZWENLJOSWVZPRE-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](CC2(C)CCCC2)C1	310478663	CJUGIGHQVVNKGN-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC(C)(C)C)CC[C@H](C)C1	318088252	WZBFKJUHFWXBQN-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CC[C@@]1(CNC(C)(C)C)CCC[C@H]1C	318241517	LQFBVJJFLYCTQQ-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC[C@@H](C)C1CCCCC1	380039582	RKWRUESTOGURIO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1[C@@H](N)CC1CCCCCC1	381335287	JCEWILSHYHGNRX-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CC(C)NC[C@H](C)CC[C@@H](C)C1CCCCC1	384051099	RTDNBKPIAQCCJY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](NC)c1cccc(C2=CC[C@@H](C)CC2)c1	384970526	KYSMJLUCSQIDCZ-DYVFJYSZSA-N	243.394	4.561	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1ccc2sccc2c1	386261606	VSCAGGPOCLDVLY-BXUZGUMPSA-N	247.407	4.727	0	10	BJAE	
Cc1sc(C(C)(C)C)nc1-c1ccccc1F	393960032	PKMIWXCMUGKJFD-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CCOc1ccc2sc(C(F)F)cc2c1C	396231833	AYKIADRDKZULPW-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1sc2c(C(F)(F)F)cccc2c1F	396296932	HAZCEWJRGOHKDI-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
Cc1c(C(F)(F)F)cc2sccc2c1S	396301834	KZJNBWFCEOLMMM-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)[C@@H]1CC1(C)C	397868696	WYXKRLQWVIVGIB-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC1CCC1)c1cc(C)ccc1C	398796283	MIOZYAAXSQXWAV-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NCCC	402173621	YDWPMKRRTMUADN-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC)CC(C)(C)C(F)(F)CC	691040782	PLXGRXCZUFNXFN-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC[C@@H]1C(C)C)C(C)C	691166963	NUYBOWWSBSFVRF-OWCLPIDISA-N	239.447	4.616	0	10	BJAE	
CC1CCC(C[C@]2(O)CCCCC[C@@H]2C)CC1	691185965	MLOMGUOWHCPEAD-BHDPWAOGSA-N	238.415	4.534	0	10	BJAE	
CCCCCCC1(CNCC)CC2(CCC2)C1	691423300	TTXNICDFBLIQJZ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCCCC[C@H](CC(C)(C)CC(F)F)NC	694090242	ZEGMNMKLOZJPBH-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCN[C@H](C1=CCCC1)[C@@]1(C)CC[C@@H](C)C1(C)C	699011356	IZKHRUFPRWCPFA-FRFSOERESA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](c1sccc1C)C(C)(CC)CC	701185612	SVVMIGPQIBDFDP-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
N[C@]1(CC2CCC2)CCCC[C@@H]1C1CCCCC1	703894076	SZWXQDRLBYAPHW-SJORKVTESA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)[C@]2(C)C[C@@H]2C)cc1	704372194	MRDJYPHYXUERRW-YVEFUNNKSA-N	244.378	4.603	0	10	BJAE	
CCC[C@](N)(CCC1CCCC1)C(C)(C)C	704888595	KYGDENGJAJWDNP-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1N[C@@H]1CCCC12CC2	706519385	RLXFJDMOZHOQSG-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC1CCCCC1	707609528	VSZMIXYXKKOMCJ-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)C[C@@H](C)c1ccccc1	708286378	QLENNZUNCOUYFQ-YCPHGPKFSA-N	247.426	4.580	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)[C@@]23CCCC[C@H]2C3)c1	709131414	OKNWXWOXKVLWCO-WWGRRREGSA-N	247.357	4.515	0	10	BJAE	
C[C@H](C(=O)C[C@H](C)CC(C)(C)C)C(C)(C)C	709132367	RDQPFQXYYDOKCS-NWDGAFQWSA-N	226.404	4.700	0	10	BJAE	
Clc1ccccc1N[C@@H]1CCCC[C@@H]1C1CC1	710174161	VBYHLNMKJYXELK-TZMCWYRMSA-N	249.785	4.721	0	10	BJAE	
C[C@@H](C[C@]1(O)CCCC(C)(C)CC1)C(C)(C)C	710734409	DUNALHUNUIZJEU-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H](C)C(C)(C)C	711236489	ZREDMCOLSVWNAC-CYBMUJFWSA-N	234.383	4.871	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@@H]1CC[C@H]2C[C@@H]12	716852799	WWDSJBMKQKAUPN-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1CCCCCC1	718655484	YFIBCTQAYQOZCX-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)CC1CCCCC1	718698642	HDHHEZAYILPZEG-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCCCCNCCCCC1CC1	720171174	LIPVEEXZJFOUFT-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C=C/C=C\CCSc1nc2ccccc2s1	1188184851	MLBAVEQFNYVWKB-ARJAWSKDSA-N	247.388	4.521	0	10	BJAE	
CC[C@@H](C)[C@@H](C)NCc1cccc(C(C)(C)C)c1	1307624839	JPTDFESZQLNDHE-ZIAGYGMSSA-N	247.426	4.508	0	10	BJAE	
CC(C)N(C[C@@H]1CCCC[C@H]1C)c1ccccc1	1473229677	FHGZQKOQDBBQIX-CVEARBPZSA-N	245.410	4.728	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1cccc(C)c1F	1474086599	SNRFRLCNHFHBRH-GXTWGEPZSA-N	247.357	4.538	0	10	BJAE	
CCCC1CCC(CN[C@]23CCCC[C@H]2C3)CC1	1658429970	ANMRLVKEHXBVGP-GQGLESIBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC1CCC2(CCC2)CC1)c1ccsc1	1664450792	VCYMPZXILXHNMN-GFCCVEGCSA-N	249.423	4.512	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCC1CCCC1	1900596960	OSODJQXFUMQCTI-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CCC(CC)CC	1900703999	OLIJDWGGNQHJDF-HUUCEWRRSA-N	228.420	4.636	0	10	BJAE	
CCC(CC)Nc1cc(F)ccc1C(C)C	1901681738	HJBRAZUMBGVKTC-UHFFFAOYSA-N	223.335	4.550	0	10	BJAE	
CCC(C)(CC)c1nc([C@H]2CC2(C)C)cs1	1901911560	HFJRKLRQTLRTQH-SNVBAGLBSA-N	237.412	4.734	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CCC(C)C)CC1	1902832349	OTSGQRBOUAHOFD-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H](CC)CCC	1905353674	NZDVTFHZKGFERD-HUUCEWRRSA-N	227.436	4.891	0	10	BJAE	
CCC[C@@H](CC)CC1(O)CCC(CC)CC1	1905387042	GMRMLXPPRUQCCQ-SHARSMKWSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)CC[C@H]1CC1(C)C	1905433991	IWGUIRPQAPXGFI-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CCCC[C@@H]1C[C@@H]1C)C(C)(C)C	1908576577	CTAXTAFLLNQZPP-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC[C@@H]1C[C@H]1CCC)NCCC	1910747873	MHMJIOXTAPOCEC-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@]2(N)CCC3(CCCCC3)C2)C1	1915892213	JVSRSCNKSCZBTQ-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC2(CCCCC2)C1)C1CC1	1915926127	VZGRTFZGOAJKMQ-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC[C@@](O)(CCCC(C)(C)C)c1cccs1	1919989889	ZIDZHJQGGRVLOU-CQSZACIVSA-N	240.412	4.562	0	10	BJAE	
CCCC1CC([C@@H](N)CC2(C)CCCCC2)C1	1921289920	NMRZXUQZAZOPDF-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@]12CCCC[C@H]1CCC2	1921445155	GKHAQFGXVKSFIW-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)CC1CC(C)C1	1925125209	NPDMCSGPPOEQFM-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCCC1)C(C)(C)CC	1925897611	ITINZMBQTHNSAJ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
Clc1ccc(CC[C@H]2C=CCC2)cc1Cl	1932592961	NWAGEHIXACFLIP-JTQLQIEISA-N	241.161	4.892	0	10	BJAE	
C[C@H](C[C@@H](N)CCC[C@H]1CC1(C)C)C(C)(C)C	1940878578	UVLFFZLQXUEANU-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCCNC1(C)C(C)(C)C1(C)C	1941190202	SLRAJTCCUUYHQM-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@@H](CC(C)C)C(C)C	1941267378	QZMWVTBRJPSJFF-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCNCC1(CCCCCC2CC2)CCCC1	1941594490	FNBNXAFDENXAOO-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@H](C)CCC(C)C)C1	1942662490	NZQBXHDCAVSDRV-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](O)(c1csc2ccccc12)C(C)(C)C	1945624621	GWUWSVYOWRDXAJ-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cccc2sccc12	1945947601	NHGVQWPBHYBXHS-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
Clc1ccccc1N[C@@H]1CC[C@@H]2CCCC[C@@H]21	1946343115	VUIQBSULTFPPPD-SGMGOOAPSA-N	249.785	4.721	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCCC1CCCCC1	1947457764	WVQLQIHSBMSYER-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC(C)Cc1cccc(C[C@H]2C=CCCC2)c1	1947551043	BNATTWUHLWPMJZ-HNNXBMFYSA-N	228.379	4.784	0	10	BJAE	
CCC(F)(F)CC[C@H](O)CC1CCCCCC1	1947885859	XOKKUGJFRANGTQ-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@H](CCC(F)(F)CC)[C@H](C)CCC	1947994405	XDDIFEVKMRJLLE-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCC)C1CC(C)(C)C1	1948155288	KLCPVIXAQNISLZ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3C[C@@H]3C2)c(C)cc1Cl	1948812964	XTFBAOZTCFJCDJ-YNEHKIRRSA-N	249.785	4.557	0	10	BJAE	
O=C(CCC1CCC=CCC1)CC1CCCC1	1949857093	IZKJELSIZVHXEQ-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)CCC[C@H](O)CC1CCCCC1	1949907427	NPWPFBLRSZQOOT-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CC[C@](N)(CC1CC1)CC1CCC(C)(C)CC1	1950111581	PRRXAVVDFJMJLJ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@]1(CNCC)CCCC(C)(C)CC1	1950922508	OLKMGKLJKOVOHM-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@H]1CCCC(C)(C)CC1	1950924092	XPBMCPYVLDQNCF-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
FC(F)=Cc1ccc(C(F)(F)F)c(Cl)c1	1960131743	LVHABSJNXNGXHZ-UHFFFAOYSA-N	242.574	4.596	0	10	BJAE	
CCC1(CC)CC(Nc2cc(C)cc(C)c2)C1	1968307295	HNCCSBODWSVAIR-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
CCCC1CCC(N[C@H]2CCC3(CCC3)C2)CC1	1969006290	RGQBWIRFMUWPAU-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
CCCC1CCC(CN(C)C[C@@H](C)CC)CC1	1969404605	WYUMZYZVVNMOBS-FHERZECASA-N	239.447	4.571	0	10	BJAE	
CCc1cc(NC[C@H]2CCC3(CC3)C2)ccc1C	1969679530	LHOUVXJEOUZJQP-AWEZNQCLSA-N	243.394	4.550	0	10	BJAE	
CC1(C)CCC(NC(CC2CC2)CC2CC2)CC1	1969738593	YULHSSSECVPONV-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1N[C@@H]1CCCC2(CCC2)C1	1970487373	LIQSHHNYHDUTKF-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
Cc1cscc1C(=O)C1(C)CCCCCC1	1978455971	QBSQOESCLIFLJB-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
FC(F)(F)[C@H]1CCC[C@@H](CC2CC=CC2)C1	1981977897	VMEJPJLPWLBXSR-RYUDHWBXSA-N	232.289	4.711	0	10	BJAE	
CC[C@H](CCC(C)C)NCCC(C)(C)CC	1986949145	VISQXYOABMWTPW-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccc(C)cc1	1988795030	PAPBYKWJKBQNMR-CQSZACIVSA-N	217.356	4.542	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1sccc1C	1995253076	CQBMWKODVCNVEE-WCQYABFASA-N	240.412	4.696	0	10	BJAE	
C[C@@H](Nc1ccccc1)C1CCC(C)(C)CC1	1996551397	CKLDLCOJFKBVHH-CYBMUJFWSA-N	231.383	4.703	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CCC=C(C)C)CC1	1997116168	JMEVXVQIFXGUHV-PMPSAXMXSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2CCCC2)CC1	1997118341	XCGXBPOOGNHMPE-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CC(C(C)(C)C)C1	1998234722	MCGGXVFAFMNEQZ-VQCLRJIVSA-N	239.447	4.747	0	10	BJAE	
CC1CC(CC(=O)C[C@@H]2CCC=CCCC2)C1	1999982182	XHBUUFMVSXEXSM-SHARSMKWSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C[C@H]1C=CCCC1	2000312061	GHNOMUUOPBPPGT-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(CCCCNC(C)(C)C)CC1	2002888035	MDKMWNXHPMRBQL-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC1(C[C@@H](O)[C@@H]2CCCC(C)(C)C2)CCC1	2002972390	SWBHWWNWVGBPKI-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H]1CCCCCCC[C@H]1N	2003112017	QOGRFTHHLTWGFU-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC1CCC2(CC1)CC2	2003197204	JYTKGNQXNFRQMF-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@]1(C)C=CCCC1	2003324205	VETLKZPOHBYILN-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@]1(C)C=CCC1	2003328865	GWUUXWBRZJEPFU-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCCC1(C)C)C1(C)CCC1	2004837969	WATFEZUTGWOIIJ-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCNc1ccc(CF)cc1	2007028699	SLLVCLWDFOXIDP-UHFFFAOYSA-N	237.362	4.784	0	10	BJAE	
CCCC[C@H](CC)C(=O)C1CC(C2CCC2)C1	2008403574	UDGLQADQIQWGOV-GRTSSRMGSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](O)[C@@H](CCCC2(C)CC2)CC1	2009421413	VGYWSTIOIXIWSU-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@]1(CNC)CCCC(C)(C)C1	2009630791	ZOOKKHWGYBTEMA-JFDDCEBESA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@@H](N)C1=CC[C@@H](C(C)C)CC1	2010760376	AXGGRHDEZCLOMQ-GDBMZVCRSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@@H]1CCC(C)(C)C1	2011181708	QXSMDPFUVOMRCM-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC12CCC(CC1)C2	2012805209	CMGJCRHGJVOGAT-BBBYJDLNSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](O)(CCC(C)C)[C@@H]1CCCC(C)(C)C1	2013264588	OBFCTAJRCFRKNA-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](N)(CC)CCC(C)C	2013275157	YCHHDBSJROQCEN-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC[C@@H](CC)C2)CCC1	2015642942	WHMMEYHPZXUTQG-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@H]2C=CCCC2)CCC1	2017133887	YTBANYSWFZXXCD-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)C1(C(C)(C)C)CCC1	2017138240	HVAKQDXICNSGRP-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C(C)=C(C)C)C1(CC(C)C)CCCC1	2017484684	ACGYJMBNKGFJFE-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC[C@H]1CC[C@H](C)CC1	2017650067	COHRQZZEURISRU-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(O)C2CCCC2)CC1	2017652701	KASVFJVTFNJKSI-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)NC1CC(C(C)(C)C)C1	2018134208	MOGDMNOWIZWTTE-SLTAFYQDSA-N	239.447	4.760	0	10	BJAE	
CCCN(C[C@H](C)C(C)C)C1CCCCCC1	2020508302	QSFKTOFYRYUHMA-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](CCCCCC(C)C)NC	2022381366	AVOJLCHXAQIKSK-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC(N)(CC)C[C@@H]1C[C@@H]1C1CCCCCC1	2022495392	IUFAFURKQFZDKO-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H]1CCCCCCC[C@@H]1O	2022528827	LMOHFMQGVFIHEW-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
FC(Cn1ccc2cccc(Cl)c21)=C1CCC1	2023184736	MDVVUSWZRYKCNI-UHFFFAOYSA-N	249.716	4.702	0	10	BJAE	
CC[C@@H](CC1CC(C)(C)CC(C)(C)C1)C(C)=O	2024102444	SNBZMWSRCJTPTN-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
CC[C@@](O)(C[C@H]1CCCC(C)(C)C1)C1CCC1	2024121499	DOHYFFLXUXUNOZ-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@@H]1CC(C)(C)CCC1=O)CC(C)(C)C	2024124994	RLAMBBCMYDBGSO-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](O)(C[C@H](C)CC(C)(C)C)C1	2025577653	FESNICWHBLQOIU-IIAWOOMASA-N	240.431	4.636	0	10	BJAE	
Cc1ccc([C@@H](N)CC2(C)CCCCC2)cc1C	2027310946	GGJHYPXUVLCUSD-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
CCCCC[C@@H](NC)c1ccc(C2(C)CC2)cc1	2028598117	NPROECDKQYZILO-MRXNPFEDSA-N	245.410	4.579	0	10	BJAE	
CCc1ccccc1[C@@H](N)CCCCCC1CC1	2028630816	JPVGPRUBSOMXJG-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CC1(C)CC(CC[C@H]2CCc3ccccc3N2)C1	2028907323	YADJVYGDQRNVPN-HNNXBMFYSA-N	243.394	4.630	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)C1(C)CC(C)C1	2029104187	HWDWTPZNBKRZPC-BLDCVEFLSA-N	245.410	4.507	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2CC(C)(C)CC3(CC3)C2)C1	2030289342	XRCZFIQWKKMIDH-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C[C@H]1CC1(C)C	2032422711	BDAXATWHGWHVAV-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@H]1CCC1(C)C	2033570896	MKQSEIGRAKIBQF-HZPDHXFCSA-N	245.410	4.507	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C[C@@H]1C=CCCC1	2035574917	BZQDNKSUERBLAC-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C[C@H]1C=CCCC1	2035601347	SEQWLWRTGZRRLO-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C1CC2(CC2)C1	2036199964	LGJSNBVCAFGYMX-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCC1)C1CC(C)(CC)C1	2036487479	SJVUKJIXHRZDJF-GYXIZQIFSA-N	249.442	4.537	0	10	BJAE	
CN(CCC1CCC1)[C@@H]1CCC2(CCCCC2)C1	2036770320	CVTQAMPQRBDYRE-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@H]1CC12CCCCC2	2038997685	VURFHTMZGPCDBD-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(NC[C@H]2CC23CCCC3)ccc1C	2039092286	ORMZRWMHRMFBGT-OAHLLOKOSA-N	243.394	4.550	0	10	BJAE	
Cc1ccccc1[C@H](N)[C@@H]1CCCC(C)(C)CC1	2039375112	JCWBGCVFXCMPQH-GDBMZVCRSA-N	245.410	4.601	0	10	BJAE	
C[C@@H]1CC[C@H](CC2(CNC(C)(C)C)CC=CC2)C1	2040170928	APVLYJGUNSKJDC-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H]([C@@]2(N)CCCC3(CCC3)C2)CC[C@H]1C	2041290716	SUWBMVANCURXSB-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)(CC)CNC1C[C@@H]2CC=CC[C@H]2C1	2042346549	AZBPKJBZOJUHCN-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)C2CC(C)C2)c1	2043544867	AODCZFHBYPCQKS-MFOWVQHXSA-N	245.410	4.658	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1CCC=CCCC1	2045304850	JQAYXTIWXUJVPB-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
Cc1ccccc1[C@H](N)C[C@H]1CCC=CCCC1	2045306013	UZODFUIHMGHXBV-DOTOQJQBSA-N	243.394	4.521	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)[C@H](C)C1CCC1	2045326856	QRVBFNKKCDPTGK-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2C(C)=CCC[C@H]2C)C1	2045681663	BWOFCNNMMUMURP-LVQVYYBASA-N	248.410	4.764	0	10	BJAE	
CC(C)CC[C@@](N)(C[C@H]1CC12CCCC2)C1CC1	2047057609	BWKGSQGQLHPOES-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@H]1CCC12CCC2	2047929282	PPWRVMGLAKUBGA-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@]1(C[C@@H]2[C@H]3CCCCC[C@H]32)CCCCCN1	2048435972	IQYASKCYCBHRRN-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048442640	GJOJAKRQHCEUEZ-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1[C@H]2CCCCC[C@H]12)CC1CCCC1	2048493637	ODWNRNWFNVTRTR-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)C2[C@H]3CCCCC[C@H]23)CCCCCC1	2049169070	CECPOOUAOBXFTG-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CCNC23CCCCC3)C1	2049511460	MABDJFGXOSKGHY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCC12CCC2)[C@H]1CCCC(C)(C)C1	2049531739	GCJLTSRBRHOSTA-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@H]2CC[C@H](C)CC2)cc1	2049683600	HCKFMKCNUASUGR-FRFSOERESA-N	245.410	4.636	0	10	BJAE	
CCN[C@@H](CCCC[C@@H]1CC1(C)C)c1ccco1	2050524050	AISSTZQMZVTFOE-KGLIPLIRSA-N	249.398	4.537	0	10	BJAE	
C[C@@H](C[C@@]1(CN)CCCCC12CCC2)C1CCC1	2053417827	GSXRPIQYOKGVMN-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CCC1CC(C[C@@]2(N)CCCC23CCCCC3)C1	2056646887	XPTPUARQESQNQD-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CC1(CC(=O)C2(C3CC3)CCCC2)CCCCC1	2057605039	YMFRZUWEYXMSGH-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC(C)c1ccc([C@](C)(N)CCC2(C)CC2)cc1	2059178399	RVWAUOGFUILWBH-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H]1CC2CCC1CC2	2059259444	PBFUNYJBYXYRIW-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC([C@H](NC)C2=CCC(C)(C)CC2)C1	2061138872	ASLUTALTEACLAD-AVVWSFFYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@@]23CCC[C@H]2C3)CC1	2061605316	FOKWSHGLFQBLRG-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCC[C@H]1C[C@H]1C)c1ccccc1	2062653311	ROEDIKOLRKHWJN-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2063419624	OHHQFBZQWDAAIN-QKDCVEJESA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCC=C(C)C)CC2(CCC2)C1	2063642769	YGXFLTNTMCIJJE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1CC(C(=O)CC23CCC(CC2)CC3)C1	2065276510	FAFRLIKXJQRLBT-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cccc(C(C)C)n2)C1	2066346726	KDZCQMYKLDWDCE-KBPBESRZSA-N	246.398	4.586	0	10	BJAE	
C[C@@H](C[C@@](C)(O)C1(C)CCCC1)c1ccccc1	2067508713	AMYXZNKHXAHNJN-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)C2(CC3CCC3)CC2)C1	2069566550	LFRGFAKKCPABCF-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)C[C@@]12CCC[C@@H]1C2	2070870991	VTANVRPCWNUMAF-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1ccc2ccccc2c1	2071471616	NDGFPNACCVBRAI-CZUORRHYSA-N	239.362	4.688	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1C[C@H]2CCC[C@@H]2C1	2072422808	FFZQLQPLFAKVKJ-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)[C@@](C)(O)c1ccc(C(C)(C)C)cc1	2072434998	CGOAQPOCBLJHSW-QGZVFWFLSA-N	246.394	4.548	0	10	BJAE	
Cc1cccc([C@@H](N)C[C@H]2CC[C@H](C)CC2)c1C	2072794887	YKVPDGATWLMHFX-NUTKFTJISA-N	245.410	4.520	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CC[C@H](C)CC1)c1ccccc1	2072868484	GGGNWFWGRKAYPX-KKUMJFAQSA-N	244.378	4.576	0	10	BJAE	
CCCC1CCC(CC(=O)C2C[C@H]3C[C@@H]3C2)CC1	2072875478	OOLWSRMCBJLWRX-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(COc2ccccc2C)CC1	2072881242	GKRGWCUMGYWQIA-UHFFFAOYSA-N	246.394	4.980	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)Cc1ccccc1	2073342127	OGWNPHWWHSHWFV-WBVHZDCISA-N	247.426	4.566	0	10	BJAE	
O[C@]1(CCC2=CCCCC2)CCCCCC12CC2	2075710527	RXNQAHFXDQHEAD-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
C=CC=CCC[C@@H]1CCCC(C)(C)[C@H]1NCCC	2076402145	RVRVLAISVBIEHF-CVEARBPZSA-N	249.442	4.703	0	10	BJAE	
CCc1cc(-c2cc(C)c(C)cc2C)ccc1O	2076826440	QGVDRHWAGSPNSC-UHFFFAOYSA-N	240.346	4.547	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@@H]2C[C@@H]2C(C)C)cc1	2079490297	AUMVUHQFILLTAY-APHBMKBZSA-N	244.378	4.675	0	10	BJAE	
CC[C@H](N[C@H]1C[C@H]1C1CCCCCC1)C1CCC1	2079533377	WNISUWPZKPZDJN-ULQDDVLXSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@]1(N)CCCCCC12CC2	2079887520	WMRRQXGQEKXAII-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H]2CCC[C@H](C)C2)c1	2082959018	IPHHWJSHSCVEHO-NHYWBVRUSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)[C@@H]2CC23CCCC3)C1	2082975517	JMERTAJVGLUDKQ-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C=C[C@H]2CCCCN2)CC(C)(C)C1	2082991992	WABBZOWBLNWGCH-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CC(CC)C1)C[C@@H]1CC=CCC1	2084997800	LEIHUHAWUKYNGN-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
C[C@H](C1CCC1)[C@H](N)CCCCCCC1CC1	2213572775	AEMPXWQIWXMFTJ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CC=C(C)C)CCCCCCC1CC1	2213582518	IQQBROINZRARSK-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
Clc1ccccc1NC1CCC(C2CC2)CC1	2213701090	LRJQYLKPQGLZDQ-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)CCCC1CC1	2214562492	IKDMKEAICSBYQR-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@@H](N)C1CCCCC1	2214777013	PRMRLBPKHMMBIO-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)CC(C)(C)C(C)C)CC1	2215811670	DMWGHCZZCNRIPY-GDBMZVCRSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@@]1(C)CC=C(C)CC1	2215816433	XSSLGKOJKATEOI-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCC2CCCC2)CC1	2215823775	MQTNAIGRCIBORK-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CC[C@](C)(CNC1CCC1)C[C@H](C)C(C)(C)C	2217123743	AXVAWRYQZVRWCY-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@]1(CCCC(C)C)CC1(C)C	2217138045	LVKUBEFHGVYCCZ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218373808	LORFUQAXNAJTDZ-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(CC/C=C/c2ccccc2)cc1	2219076105	LQASEVBXYXYPJZ-UXBLZVDNSA-N	236.358	4.895	0	10	BJAE	
CC1(C)NCC[C@H]1C=CCCCCCCC1CC1	2223108077	BZGZHSXUFOMMRN-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](NCCC)c1cccc2ccoc12	2224181701	QYIVENVDROPRQS-OAHLLOKOSA-N	245.366	4.664	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)C1CCC1	2244839286	YLUYJGVGQVPWKK-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)[C@H](N)CC[C@H](C)CCCC(C)C	2244871439	JLORRYAUMRUISO-RBSFLKMASA-N	227.436	4.602	0	10	BJAE	
CC1CC(C)(CC(=O)C[C@@H](C)CC(C)(C)C)C1	2246573182	NXGJMGGUNDVWBC-VEAWUBTESA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@](C)(N)CC[C@H]1CCCCC12CC2	2246619842	HOJUXKITRVNQLH-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CC[C@@H]1CCC[C@H](C)C1	2246694846	RRLFRAVLADHMSV-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2CCC2(C)C)CC1	2247384154	FXJVVSVIFNOHLR-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
N[C@@H](CCCC1CCC1)c1csc(C2CC2)c1	2248043811	CZPGOSOEUJCHSR-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
C[C@H](CC(=O)c1csc(C2CC2)c1)C1CCC1	2248067565	BUTHSEVGAIDOFK-SNVBAGLBSA-N	248.391	4.635	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)c2csc(C3CC3)c2)C1	2248070597	UJUXLYHTTBTLTK-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@](C)(O)CCC1CC1	2248865993	MSHUKNPWUNEPRH-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@]1(N)CC(C)(C)CCC1(C)C	2251658952	JWOWEQFCHXVTKP-WOSRLPQWSA-N	239.447	4.602	0	10	BJAE	
CC=CCCC[C@H]1CCC(C)(C)[C@@H]1NCCC	2251702464	RSAMEGIMJMKTCM-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC=C1CN[C@@H]2CCCC[C@@H]2C1	2253816691	KEDNPAOZLGLCRO-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(C[C@@H](N)C[C@H]2CCCC23CC3)CCC1	2255229948	ZGRWPKYOIWNGGE-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1N(C)CCCCC[C@@H]1C[C@H]1C	2257289067	ITIKUZNOAGYFGC-HZPDHXFCSA-N	245.410	4.648	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Oc1cccc2c1CCCC2	2257474046	AHSJVCBWTPVYFD-CZUORRHYSA-N	244.378	4.523	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2CCC3(CC3)C2)c1	2257906874	HVZLANVMZFTHCG-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@]23CCC[C@H]2CC3)C1	2260516394	MNJPNQCRTCCCCZ-PNBKFKSVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@@]23CCC[C@H]2CC3)C1	2260607120	MCGPUJANQGNIDX-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(OC[C@@]23CCCC[C@H]2CC3)c(C)c1	2260644578	BTJASRUUEFIIQQ-RDJZCZTQSA-N	244.378	4.653	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@@]12CCCC[C@@H]1CC2	2260678050	IWFXRGFPURJMAE-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CC[C@@H]2C[C@@H]2C)CC1	2298127012	MJFSLLHDGHZQSK-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C(=O)C[C@@]12CCCC[C@@H]1CC2)C(C)C	2298706205	UMASTFCBHPIGBD-FMKPAKJESA-N	236.399	4.598	0	10	BJAE	
CC[C@](C)(C(F)F)[C@@H](N)CCCCCC(C)C	2299836113	SPTRDNNQUFSGFY-JSGCOSHPSA-N	249.389	4.602	0	10	BJAE	
CCC(CC)CCC1(CN)CCCCCCC1	2300696462	DBTMLKIEBZDWQY-UHFFFAOYSA-N	239.447	4.892	0	10	BJAE	
CCC(C)=CC[C@@H](N)C1CC(CC(C)(C)C)C1	2300871461	FXABOOVAFMLTTF-YMAMQOFZSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@H](N)CC=C(C)CCCC(C)C	2300876666	IVTHPRLHULXUBS-OWCLPIDISA-N	237.431	4.523	0	10	BJAE	
O[C@H]1CCCCCC[C@H]1CC1CCCCCC1	2301140129	MJOPGUWNWRGOMT-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@@H](C)c1csc(-c2ccc(F)cc2)n1	2301915931	WTKXKANQRJRAAG-SNVBAGLBSA-N	249.354	4.709	0	10	BJAE	
C[C@@H]1[C@@H](C(=O)CCC2=CCCCC2)CC1(C)C	2302136105	QIVLJQRMSPYVPV-OCCSQVGLSA-N	234.383	4.518	0	10	BJAE	
CCCCCCc1ncc(C)cc1C(F)(F)F	2302231289	QOWYLZPERQMYMJ-UHFFFAOYSA-N	245.288	4.532	0	10	BJAE	
C[C@@](N)(CCCC1=CCCCC1)CCC1CC1	2302337080	UHTCQBAJVYOJQA-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CCC[C@H](CCC2(N)CCCCC2)C1	2302566704	WFJJMNMUPJAUJF-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CCC[C@@H]1C[C@H]1C	2302614391	ATQXYNWOIKXHRC-QKPAOTATSA-N	240.431	4.780	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2CCC(C)(C)C2)CCC1	2302742060	KENLRTVABQUNNP-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CC[C@H]2C(C)(C)C)CC1	2303395218	QIKWWMVWRAJAPK-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H](O)c1cccc(C(C)C)c1	2303716860	CZCCINXNGFQMOQ-APHBUQMISA-N	232.367	4.590	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1cccc(C(C)C)c1F	2307571153	ORZKKALGGOTMMP-WCQYABFASA-N	235.346	4.550	0	10	BJAE	
CCC[C@H](CC)CN1CCCC[C@H](C(C)C)C1	2307749607	MCZXIOVORLMQKI-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@H](C[C@H](C)C(C)(C)C)NC	2307896221	YSHSXECFVUMSAR-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H]1[C@H](C[C@@H](CC)CCC)CC[C@H]1C	2307901370	HYAXAPGXFNSWDW-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@@H](CC)CCC	2307904415	UFLJYJDBSOKCGQ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)C1(CC)CCCC1	2307905829	ZTOZUYJJDKPJIQ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC[C@@H]3CC[C@H]23)c1	2309517791	KXHMFXXMIHBZFZ-COXVUDFISA-N	243.394	4.801	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H]1c2ccccc2NC[C@@H]1C	2311573181	DFUQSPXNXKKLJJ-FQLMCAECSA-N	243.394	4.658	0	10	BJAE	
CC[C@@](N)(C[C@@H]1C[C@H]1C1CCCCCC1)C1CC1	2311607091	VNSHTMCOZPEPDL-BHYGNILZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@]1(C)NCCC1=CC1CC(CC(C)(C)C)C1	2315192967	UDGUCJNZHLYUNT-MQBCKMQZSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c2c(C3CC3)c(CC3CC3)[nH]c2c1	2315508912	ZQAMXYUJGADTMZ-UHFFFAOYSA-N	239.362	4.615	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CCC[C@H]2C[C@H]21	2315885283	CDWBGZYYGYTVHV-ARFHVFGLSA-N	243.394	4.719	0	10	BJAE	
CC(=CCN1CC[C@@H]2CCC[C@H]21)CCCC(C)C	2316513050	MPJVUIYXJZAJBX-DLBZAZTESA-N	249.442	4.633	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316697459	LVCZGMMKHNTNMO-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](N)CCCC(C)(C)Cc1ccccc1	2317284939	HAUOAURTCHZSEQ-INIZCTEOSA-N	247.426	4.553	0	10	BJAE	
CC(C)[C@H](N[C@@H](C)[C@H](C)C(C)C)c1ccccc1	2317662805	FCMUCDXPROWPLZ-VYDXJSESSA-N	247.426	4.654	0	10	BJAE	
C1=C(CCCC[C@H]2CC[C@H]3C[C@H]2CO3)CCCC1	2318578282	LOMWVQFAWZYYEZ-ULQDDVLXSA-N	248.410	4.862	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@H]1CC[C@H]1C	2318582836	IIRPCOYSRHOWAP-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@H]1CCC12CCC2	2318595168	NCOIYCVZWRGCIM-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
C[C@@]1(CC[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCCN1	2318822287	JRIIQQWLWHVRRK-NXOAAHMSSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCC1CC1)CC[C@@]12CCC[C@@H]1C2	2318874839	KLVZFTBQPQZEHQ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@H]1C=CCCCC1	2318876952	KKBZQZLLCXWUCR-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccncc1NCCCCCC1CC1	2318945509	ZXMQOGORXXACFU-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC[C@@H]2CC[C@@H]2C2CC2)CC1	2319687020	SLJWIVRYHYVVNT-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1[C@@H](N)C1=CCCCCCC1	2320211769	RVBUFTVTPSIVDV-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@H](N)[C@@]1(C)CC=CCC1	2320244185	QNZNANAHAPWGEP-HWMZRRJGSA-N	249.442	4.523	0	10	BJAE	
Cc1ccc(F)cc1NC[C@@H]1CC[C@H]1C(C)(C)C	2320307407	KXZCSJQPCQFNLH-GXTWGEPZSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)C2(C)CC(C)(C)C2)CC1	2320328956	RMBRXMLVTXWKRL-LSDHHAIUSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(C(C)(C)C)CCCN2)CC1	2320334507	PWJSYRFEBSMZRL-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCCC(C)(C)[C@@H]2N)CC1	2320339322	CTQLNKVMWDIFNC-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCC(C)=C(C)C2)C1	2320410821	AXJUKZNMIGAFIA-CGZBRXJRSA-N	249.442	4.824	0	10	BJAE	
CC1(C)CC[C@@H](CCNC2(C3CC3)CCCC2)C1	2321613236	JMHQCLNLBJCSEO-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CNC[C@@]1(CC[C@@H]2CCC(C)(C)C2)CC=CCC1	2321619154	JMBRXNXWEYFCAV-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)CC2C[C@H]3C[C@@H]3C2)C1	2321621296	DVDLNALYLSIGRU-QEJZJMRPSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)C(C)(C)C2CC2)c1	2327790522	QMLQXHKZDNEVRG-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CCC[C@@H](NC2CCCCCCC2)[C@@H]1C	20011075	POCDIAUYVVNYHU-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(F)c(Cl)c1	20429673	MNUGWSVQGGDRBC-JTQLQIEISA-N	243.753	4.860	0	10	BJAE	
Cc1ccc([C@@H](N)CCC2CCCCC2)cc1C	20587203	USHVAUZOTCVKFZ-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
C[C@H]1CCC[C@@H](C)C1NC1CCCCCCC1	21516508	CVBCSYZRBRFIBP-MZBDJJRSSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](c1ccc(CCC)cc1)[C@H](C)CC	35582849	VRNXYGRZYPOFKH-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)C1CCCCC1	37267245	NTKDFDZBJFPRSW-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2C[C@H]2C)c(C(C)C)c1	37357239	JBRRJHUZHJDQQE-MLGOLLRUSA-N	244.378	4.772	0	10	BJAE	
Cc1ccccc1CSCc1ccccc1C	39291017	DSKNCCRPFFASJS-UHFFFAOYSA-N	242.387	4.737	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1cccc(C)c1C	68863359	OGJSVMVXVMVYDA-WBVHZDCISA-N	248.410	4.943	0	10	BJAE	
CC(C)(C)c1ccc([C@H]2CCCCC(=O)C2)cc1	80386049	GLWAPXYAUHMNCI-AWEZNQCLSA-N	244.378	4.601	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCC[C@H](C2CC2)C1	81624268	OBQQDONNEKDFGJ-ZFWWWQNUSA-N	247.357	4.515	0	10	BJAE	
CCC[C@@H](C)CNc1c(C)cccc1C(C)C	83360395	ODGZKNMBRIKYMQ-CYBMUJFWSA-N	233.399	4.967	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCCC)C1CCC1	86487961	URNWUWQPLNVHGF-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](NCC)C1CCC(C)CC1	109737762	CPIDENIRPKXNBG-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cccc(F)c1F	109921787	QCCUHVFQMIVAJK-QWRGUYRKSA-N	241.325	4.592	0	10	BJAE	
CCC[C@H](CC)Nc1cc(C)nc2ccccc12	110385258	KSFVQGJAZPXDAZ-ZDUSSCGKSA-N	242.366	4.534	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@H](CC2CCCC2)C1	110517809	AFURCWAOJIGXEJ-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](c2nc(C(C)(C)C)cs2)C1	131927781	PBNKXEFHBCUGHS-WDEREUQCSA-N	237.412	4.734	0	10	BJAE	
C[C@H]1CCC[C@@H](C(C)(C)CCNC(C)(C)C)C1	133972712	HDMHFSMFIZKJFW-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCC(C)(C)C[C@@H]2C)c1	155851567	XRIMDGRSXJXYRR-JSGCOSHPSA-N	249.373	4.761	0	10	BJAE	
C[C@@H](C[C@H](N)CC1CCCCC1)CC(C)(C)C	160979040	IUXOGIDBBUKUBR-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)CC(=O)CC12CC3CC(CC(C3)C1)C2	165100164	CCVGPZOXIMTQFN-JISDDCRVSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N)cc(Oc2ccc3ccccc3c2)c1	165922817	GEBRZIHGCKBPRT-UHFFFAOYSA-N	249.313	4.523	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@H](C)C(C)(C)C	167142816	IDNCOCREYVTDBQ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1ccccc1[C@H](N)C1CCCCC1	167237127	DYJMGYLLZWRZSP-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	168661952	FLKFZAOCHAIQOX-RRFJBIMHSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@H]2C(C)C)cc1	214427166	KVHMMFDUHYDNRS-HOTGVXAUSA-N	231.383	4.622	0	10	BJAE	
CCC[C@H](NC)[C@@H]1CCC[C@@H](C(C)(C)C)CC1	219276283	MCNXAKQWSAYFOA-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CCC1CCCCC1	223256219	YQCJXRISMHWNLQ-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCC[C@@H](N)c1csc2ccccc12	229171300	VRHGTEHMYZQERO-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
CCCc1ccc(N[C@H](C)CC2CCC2)cc1	229671516	WVEKJOUDIHVJRF-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC(C)(C)C[C@@H]2C)cc1	233405727	KLTPNXQWWUPDEL-XJKSGUPXSA-N	245.410	4.876	0	10	BJAE	
CCCc1ccc(N[C@H]2CC(C)(C)C[C@H]2C)cc1	233407464	KLTPNXQWWUPDEL-CJNGLKHVSA-N	245.410	4.876	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCC23CCCCC3)C[C@H]1C	299956192	QIIGERFIGWQXDZ-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCCC[C@](CC)(CO)CCC1CCCCC1	302278328	TXEOGCUQQAYREG-INIZCTEOSA-N	240.431	4.926	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@@H]1CCC[C@H]1C	302281325	JEOXBSXPOVVIMO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1CCCCC1)C1(C)CC1	305894724	BLWJDYFQDBPIGA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CSc1cc(Cl)c2ccsc2c1S	306623725	BMYYIWHLPOQPSI-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@@H](CC)CC(C)C	308109286	XZUSIHNWFPBDQG-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCC1(C[C@H](N)C2CCC(C)(C)CC2)CCC1	310542394	TYGOULRLVMJXLA-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@](C)(O)c1ccc(C2CCC2)cc1	310612736	AENZFSXKBLTEGU-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
Cc1ccc([C@@H](O)[C@H](C)C2CCCCC2)cc1C	311208644	KHYKXWSETBESCR-PBHICJAKSA-N	246.394	4.553	0	10	BJAE	
O=C1CCCCC[C@H]1CC/C=C/c1ccccc1	322933981	NYYXWXLBERSXOT-BPLPYTOXSA-N	242.362	4.629	0	10	BJAE	
C[C@H](Cl)/C=C\c1cc(Cl)cc(Cl)c1	379360189	AXUUMGCUPLLNSF-XDVGHUOJSA-N	235.541	4.634	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1CCCCC1(F)F	382077368	HSGJDGYPAAEZHB-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H]1CCCC[C@H]1C	384513206	UQFNFDAPYZYDTA-UKPHBRMFSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H](CCC[C@@H](C)c1ccccc1)NCC	384737265	KULRDKNBJHYZRS-NVXWUHKLSA-N	247.426	4.739	0	10	BJAE	
CC[C@@H](N[C@H](C)CCC(C)C)c1cccc(C)c1	385159656	UJGMPMOZENHUMK-NVXWUHKLSA-N	247.426	4.860	0	10	BJAE	
CCCN[C@@H](C)/C(C)=C\c1ccc(C(C)C)cc1	385348199	SHMCNQNWWRFBIN-ZSMUJPCHSA-N	245.410	4.601	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cscc2C)CC1	387352786	SJWHVMPCVYTSOH-QWHCGFSZSA-N	237.412	4.827	0	10	BJAE	
CCCCCC[C@H](O)CC1CCC(C)CC1	390365039	TWJRZLBCGKMFQU-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](NCCC1CCCCCC1)C1CCC1	394522282	BOLDJDKXIRIGMT-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCc1cc(C(F)F)c(F)c2sccc12	396217065	PTHCUEQNUYAXOI-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
COc1ccc2c(Cl)csc2c1C(F)F	396292416	UQFBNVCYFMBIRY-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
C[C@H](C(=O)CC/C=C\c1ccccc1)C(C)(C)C	399305691	KGNYJELRQGCVNY-ICDLMJIXSA-N	244.378	4.731	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CC[C@H]3C[C@H]2C3(C)C)c1	400681781	WZFGKBJVQXDRNT-ZNMIVQPWSA-N	243.394	4.540	0	10	BJAE	
Clc1ccc(Cl)c(NCC2=CCCC2)c1	401180066	UCFZVMUWVGIKNA-UHFFFAOYSA-N	242.149	4.516	0	10	BJAE	
CC(C)c1cccc([C@@]2(N)CCC[C@H](C)CC2)c1	688911277	CENLKHYLROXATQ-WMLDXEAASA-N	245.410	4.564	0	10	BJAE	
CCc1cc(N[C@H]2CCCC[C@H]2CC)ccc1F	690101511	CCRFQZPQTSOAQM-WBMJQRKESA-N	249.373	4.769	0	10	BJAE	
Cc1cc(N[C@@H](C)C(C)(C)C)cc(C)c1Cl	695658128	ZWWBHWIAEQEERN-NSHDSACASA-N	239.790	4.803	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1CC(C)=C[C@@H](C)C1	696677303	IJNGXNBRVOXDHN-SNPRPXQTSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](NCC)C(C)(C)CC	701158826	YGDSMLULDJXKFL-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C2CC(C)(C)C2)cc1	701455142	MMGKQQPMNPEQLO-LRDDRELGSA-N	246.394	4.670	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)[C@]1(C)CC1(C)C	702222011	DRJQPZSZWAFPMZ-RDJZCZTQSA-N	245.410	4.507	0	10	BJAE	
CC(C)CCCCNc1ccc(F)c(Cl)c1	703989166	ALFZBHAFVLLWDT-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@@H]2CCC[C@H]21	707736289	IGXTUVYIWPVQNH-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@@H]2CCC[C@H]21	707842165	WMBFXXBWRASLMG-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@H](C)CC(C)(C)C	708286284	FOEHPBVYEJTXCQ-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CC(C)C(C(C)C)[C@H](O)C[C@H](C)CC(C)(C)C	709070456	DFKVPQFVNUKKBB-UONOGXRCSA-N	242.447	4.738	0	10	BJAE	
CC[C@@](C)(CNC1CC1)C[C@@H](C)CC(C)(C)C	709109739	XIISWNRUZSQWAN-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1N[C@H]1CCCC[C@@H]1C1CC1	710136131	JQNZCUHBMCSYCI-WBVHZDCISA-N	243.394	4.630	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@H](C)C(C)(C)C	710721986	YTFNBDQBQRLPFP-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](O)(C[C@@H](C)C(C)(C)C)c1ccccc1	710799756	NFFNDMMNPYDMDK-RHSMWYFYSA-N	248.410	4.747	0	10	BJAE	
CC[C@H](C[C@@H](O)c1csc(C)c1)C(C)(C)C	711174580	CLCYQFXPSIAZLZ-CHWSQXEVSA-N	240.412	4.552	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)CC[C@@H]2C)cc1	713012906	FJTJHLXEAMUALS-ZFWWWQNUSA-N	231.383	4.622	0	10	BJAE	
CCNC[C@@]1(CC(C)(C)CC)CC[C@H](CC)C1	713337192	VGBIIFXQUJOVOP-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C/CC[C@]1(CNCC(C)C)CC[C@H](C)C1	713748950	SSEKKQITWHZBHK-SGUAIBKKSA-N	249.442	4.561	0	10	BJAE	
O=C(CCCC1CC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714482180	QQORHQDLTNOXIE-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)C(C)(C)C	718590214	SLLYNCRAMXPYCM-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CCC(C)=C(C)C)C1	718655831	ZPTWDHWUFKBTRO-OAGGEKHMSA-N	237.431	4.667	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)C1(C)CCCCCC1	718699157	IZKYWSJXSKXOMQ-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@@H](C)CN[C@H]1CCCCCC1(C)C	718990945	YLCDIGVSWFABKY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C/C(=C/Cl)CSC[C@@H]1CCC[C@@H](C)C1	1189197115	ACQIRKSEWQXFDY-QESQTXLRSA-N	232.820	4.689	0	10	BJAE	
CC(C)[C@@H]1CCCN(CCC2=CCCCC2)CC1	1191056678	FQTWTCMRURJLHF-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
C(CCC1CCCC1)CN[C@@H]1C[C@H]2CC[C@H](C2)C1	1474026153	RRVBZAJQDYVXPE-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
C/C(=C\Cl)CS[C@H]1CCc2ccccc21	1641087078	SAARLXQRCCTTBI-FROQITRMSA-N	238.783	4.550	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H]1CCC(C)(C)C1	1658515406	BPPLNUCSRUIVQG-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCCNCCC=C(C)[C@H]1CCC[C@H](CC)C1	1876996405	FCFDJCWQBPAEBD-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H](C)CC1CCC1	1899359569	YDVKDTNGARPQOG-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CC[C@@H](O)CC1(C)CCCC1	1900703584	NSVFKDXJCGXNHH-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC(=CCCCNC(C)C)CCCC(C)C	1900873536	FPKVZOUCYBLDPZ-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCCCCCC1CCC(NCCC)CC1	1901887131	PTZVDOWFKZUHBY-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)CC1CCCCC1	1905433654	HKVJZOBVCOBZMH-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)C1(C)CCCCCC1	1910809590	NYOZHYRVAVXIPR-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)NCC(=CC1(C)CCCCC1)C(C)C	1912121890	PKJYKKCJMUOBFL-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC1CC(C(=O)c2cccc(CC(C)C)c2)C1	1921265287	ZFKSRVJXSGONJM-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCC1CCC([C@@]2(CN)CCCC23CCC3)CC1	1921655962	BWOQXPWKMQQVKJ-DQPZFDDXSA-N	249.442	4.502	0	10	BJAE	
Fc1ccc(F)c(CC[C@H]2C=CCCCC2)c1	1925825975	YDJSLAOEQWPYLZ-LBPRGKRZSA-N	236.305	4.644	0	10	BJAE	
CCCC[C@@H](C[C@H]1C=CCCCC1)NCCC	1925914385	BUBAEHNTVYYMSZ-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC1CCC(CC[C@@H]2C=CCCC2)CC1	1932604353	MPHJJLCLYMUUDN-SHARSMKWSA-N	206.373	4.949	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1cc(Cl)cs1	1933725341	ZEJNQYYYNLXBPI-SNVBAGLBSA-N	245.819	4.618	0	10	BJAE	
CC(C)C[C@H](C(=O)CCC1CCCC1)C(C)C	1941264982	QDXVEYYREDIFTG-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@@H](CC)C(C)C	1941273198	QAHXXQDSJISORL-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](NCC(C)(CC)CC)[C@H]1CC1(C)C	1941360766	SDJODEMZULXIOZ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(CCCC2CCC2)C1	1941470542	RPKKQPTWEZYFDK-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@]1(C)C=CCCC1	1943136311	SNBDGHUTSBDXQS-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)[C@@H](NC)C(C)(C)C1CCCCC1	1944634492	ICNZJQCAFJMHDY-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@H]1CCC1(C)C	1945746017	CVMZFZSKUBDBHD-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC(F)(F)CCC(=O)[C@H]1CC[C@H](CC)CC1	1948001181	OMCGUMGYLQJBGM-HAQNSBGRSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)NCCCC1CCCC1	1948327398	PAJWRVSAFQBETM-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](C)(N)CC1CCC(C)(C)CC1	1948935088	RXJAFMSZYYRNNX-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@H]1CC[C@@H](C)C1	1949527963	DDRITKXSORWMPO-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H]1CNC2(CCCCC2)C1	1949535281	BFTCCCNOWDKVRU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(CN(C)[C@@H](C)CCC(C)C)cc1C	1963044754	MJGIROFHXPHKEX-INIZCTEOSA-N	247.426	4.560	0	10	BJAE	
Cc1ccc(C)c(NC2CCC3(CCC3)CC2)c1	1968230532	QYFRAIVGRVWRKB-UHFFFAOYSA-N	243.394	4.828	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CCC[C@H](C)C2)cc1C	1968307017	CGCZGELNHNDMHZ-BBRMVZONSA-N	246.394	4.899	0	10	BJAE	
CC1(C)CCCC[C@H]1CN[C@H]1CCCC2(CC2)C1	1970086554	QYDDTWFDULRTNI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](O)(CCCC(C)C)C1CCCCC1	1975960109	WJNJTDACAKFHKJ-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](CCCC(C)(C)C)C1	1982567410	NQPIIVVNBVNNDV-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](O)C1(C)CCC(C)(C)CC1	1983318108	HSNNLADGYRZYKB-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCC(O)(CCC)CC1(C(C)C)CCC1	1989439020	CXMVNHOPNPOKSZ-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CNc2ccsc2)CC1	1989811431	DWRLMPIGQDFHKT-JOCQHMNTSA-N	237.412	4.767	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](O)C[C@H](C)CC(C)(C)C)C1	1996260077	MGPLJTAUDVUADN-QPSCCSFWSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CC[C@@H](CC2(CN)CCCCCCC2)C1	1996262789	GTJNQNQNDYFQIY-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)C(C)(CC)CC)CC1	1997104204	JJIDSKDKVKZTME-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CCCC(C)C)CC1	1997109792	RQKSFDDIUVUZGV-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCNC[C@@H]1CCC[C@@H](C)CC1	1997117223	PNJRFRSWZFFOJL-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)CN(C)[C@H]1CCC[C@H](C)CC1	1997209874	ZHCXUEVPQOPKQQ-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC(F)(F)C1=O	1997566939	JYTPFKWRZSZNNT-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
c1ccc(NC2CC[Si]3(CCCC3)CC2)cc1	1998314682	JSJKMWJYKGTQEW-UHFFFAOYSA-N	245.442	4.504	0	10	BJAE	
CC(C)C[C@H](C)CN[C@H](C)CC1=CCCCC1	1998380570	OVBWZSQFYPMROV-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1(N)CCC2(CCCCC2)CC1	2000283276	QOTFUBFRLYRUDO-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
C=CC=CCC[C@@H](NCC)C(CC)(CC)CC	2000373045	PLAHRXOFYMUNFE-OAHLLOKOSA-N	237.431	4.703	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1(CF)CCC1	2001147775	GVQRAPIXQZZVNV-ZDUSSCGKSA-N	242.378	4.548	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)[C@H]1CCCC(C)(C)C1	2002971696	IERHBRUMDDHDSN-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CCCC2(CC2)C1	2003275355	MLVLCUYNIPOAJA-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](C(C)(C)CC)[C@@]1(C)C=CCCC1	2003320758	JTIMKUSUOJEEEH-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H]3CC[C@H]32)cc1Cl	2004797163	JHHFSUVHKSXEMP-NJZAAPMLSA-N	249.785	4.639	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1C=CCCC1(C)C	2006900116	CJQJMTLIELWZCL-KBPBESRZSA-N	237.431	4.536	0	10	BJAE	
CCCC(CCC)CN[C@H]1C=CCCC1(C)C	2006912940	ONRNQRUQSBNLNE-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](O)[C@@H](C[C@H](C)CC(C)(C)C)CC1	2009407837	PQTSQKVQSLJOSW-XQLPTFJDSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@](C)(N)CC1C[C@@H]2CCC[C@H]2C1	2012009207	NTTGKXDDFUNPJW-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](CC2(C)CCCCC2)C1	2012082317	BXNVKUNOFOXBLB-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCNC[C@@](CC)(CCC(C)(C)CC)C(C)C	2012425359	IRMAQYPBXUVENU-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)C2(C)CCCC2)C1	2014339341	LNAZXPFYIPNFOG-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)C1CCCCCC1	2015268662	FHHMJZACRLYVBP-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC(=O)C(C)(C)C1CCC1)C(C)C	2015378232	UQKSMFFGROZNLW-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC(C)C1CC(C(=O)CC(C(C)C)C(C)C)C1	2015384637	WZRRKNARDKTVCN-UHFFFAOYSA-N	238.415	4.556	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCCC[C@@H]2C)CCC1	2015585040	WRMZMZUNTZTALD-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C(C)(CC)CC)C1(CC(C)C)CC1	2015755191	OQRNQRSQJDFWPD-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C[C@H]1CCCCCCCCC1=O	2016425328	WASNAXMBMCNMBV-FMKPAKJESA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC[C@H]1C1CCC1	2017045715	BQSIBZYORQFFOA-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC2(C(C)C)CCC2)C1	2017115561	ZIHIFEGTJAODSZ-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H]1CCC[C@@H](C)CC1	2017474341	CIQATLYXIOBPPR-VNQPRFMTSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C(C)=C(C)C	2017486960	NRKTZNKBDPTDFE-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H]1CCC[C@@H](CC)C1	2017487800	UBASYMMOQYUPNW-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](O)(C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017650416	GWCRKYAFUKVMCC-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(O)CCC(C)C)CC1	2017652327	FOQCEQNTXXQAOJ-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)C[C@H]1CC[C@H](CC)CC1	2017652764	KUVGXGJJYIQDKA-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@@H]1CC12CCCCC2	2017794627	UFYIUCXKCHAKHM-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)Nc1nccc2sccc12	2018079183	KASHVJNPZXJGIR-NSHDSACASA-N	248.395	4.677	0	10	BJAE	
CCCCC[C@@H](CC)NCC1(C(C)C)CCC1	2018128944	GUTIYBLTCMHZSQ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC2(CCC2)C1	2018136169	IGEVFRIYUXVZTM-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@H]2CC[C@H]21	2018136287	JNGXCTVWDUAOQN-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCCN([C@@H]1CCC12CCCCC2)C(C)(C)C	2019258865	RXRRKXKZYKGAPB-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CC(C)C[C@@H](C)N1CCCCC12CCCCC2	2019299062	FQPRECKVDXVUIV-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CCCCC[C@](O)(CC)CCC[C@H]1CC1(F)F	2019567872	APQWJUWGWWKQHK-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@@H]1[C@@H](CC(C)(C)C)CCCC1(C)C	2020352183	QDSIXNVRCYKHLA-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H]2CCCC(C)(C)C2=O)CCC1	2020391113	HVSWBSQFPIXZOH-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](C)[C@@H]1CCCC(C)(C)C	2024510407	YACNCJOCRJXWIM-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(CC)c1N[C@@H]1CCC[C@H](C)C1	2026859175	PYFZNMFRZLSLFF-XJKSGUPXSA-N	245.410	4.802	0	10	BJAE	
CN(CCCCCC1CC1)[C@@H]1CCCC2(CC2)C1	2028645005	PLIYDGDAOKPDTE-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC2C[C@H]3CC[C@@H]3C2)CC1	2028982776	ZXKGLGPADJIYGW-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)CCNCCC=Cc1ccccc1	2029984351	DGSYFSLULWAUMR-MRXNPFEDSA-N	245.410	4.506	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1	2031819756	VNZACILWQPAWPJ-FICVDOATSA-N	244.378	4.640	0	10	BJAE	
CC(C)=C(C)CCNC1C[C@@H]2CCCCC[C@H]2C1	2035863715	VNLSKWBGYPVZMM-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)c1ccccc1C(C)C	2036377739	WGUGPVCMEVGQMO-PBHICJAKSA-N	247.426	4.666	0	10	BJAE	
CCCN[C@@H](CC1CC2(CC2)C1)C1(CCC)CC1	2036755962	PTAFNOLSXNNPMY-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCc1cccc([C@H](N)C2(CCC)CCC2)c1	2037085462	BKTBTUVIJWNGRZ-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CC[C@@](N)(CCC1CCCC1)c1cccc(C)c1	2037105817	SIAVKXLWSKDWDE-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CCC1(C[C@]2(N)CC(C)(C)CC3(CC3)C2)CCC1	2037105892	ULHOBMAKEBKYRG-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC1(CCC[C@@]2(N)C[C@@H]3CCCCC[C@@H]3C2)CC1	2037175702	IHRDQJAYLGQPAH-QLPKVWCKSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CC[C@@H](C)c2ccccc21	2037217019	WOABOQMRILJLMB-CXAGYDPISA-N	245.410	4.564	0	10	BJAE	
CC1CC(CCN[C@@H]2CCCCC23CCCC3)C1	2038092653	RQMQNLJAOFEKGV-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CNC(C)(C)C)(C[C@@H]2CC=CCC2)C1	2038875380	UPMCTZHQHPUMIE-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2[C@H]3CCCC[C@H]23)CC1	2039372572	DUVNMBMIHQABIZ-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCCc1cccc([C@@H](NC)C(C)(C)CCC)c1	2040726031	NXUUKOOBTGDGQL-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](CC2CC=CC2)NC)CC1	2041379314	KEXSTGPGHDNRPQ-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@]1(C)CC=CCC1	2042091271	JYDRDDXOPHKPTP-KRWDZBQOSA-N	242.362	4.568	0	10	BJAE	
CC1(C)CCC(C)(C)C1N[C@H]1CCC2(CCC2)C1	2043604601	JLCWQSWCUIOZQO-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@H]1CCC=CCCC1	2045316206	BRYHFEGZHNXGJU-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048443775	STRBRDCXUHMPDK-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC(=C2CCC3(CCCN3)CC2)C1	2048949043	OKYGLBDAPFFIHL-XPCCGILXSA-N	247.426	4.579	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@H]2C=CCCCC2)C1	2049497024	ZASAPMUTQYDYSJ-JYJNAYRXSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC(C)(CNCC(C)(C)C2=CCCC2)C1	2050114066	XKGSQAQQSHNQLY-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CCCC[C@H]2C2CCCC2)C1	2051678082	NOZWZWGLQUTXOT-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CNC[C@@]1(CCCC2(C)CC2)CCCCC12CC2	2053362654	XPLMEFHKRRBOJR-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(CN)CCCCC23CC3)C1	2053411157	NUQLHMCPUJOEKX-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
N[C@H](C=C1CCCCC1)[C@@]12CCCC[C@H]1CCC2	2056877695	BYAZEOYIGYEYQR-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1C=C1CCCCC1	2056878015	GGGXJCRDFALHPT-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1ccc(F)cc1C	2059249909	LTUMXZXRDOQXQH-MQDFFIGUSA-N	249.373	4.531	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@H](N)C2CCCCC2)CC1	2061094028	CFUZGGAEBBLZSU-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(O)CCC23CCCCC3)CC1	2061094075	CSQAQLSZISNUBK-PBHICJAKSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CCCC(C)(C)C2)CC1	2061121296	FGWIFUBHSUJOAH-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CC[C@@]23CCC[C@@H]2C3)C1	2061601593	IOVICUVPMUWQLQ-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(O)(CC2CC(=C3CC3)C2)C1	2061685353	QCAFTSKHFCKBMR-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C(=O)C2CC(=C3CCC3)C2)CC1	2061730038	DCFASHMOBCFCCY-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063487918	SODVXMVHFPOPFF-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC23CCC(CC2)CC3)[C@H](N)C1	2065328883	SYHXDTOREATNHI-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC12CCC(CC1)C2)CC1CCCC1	2065334098	ZXNLWEFWMOELBI-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
NC[C@H](CC12CCC(CC1)CC2)C1CCCCC1	2065338435	GPFDHRBNMMZBMV-WIHSUSGWSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H](Nc1cccc(C(C)C)n1)C1CCC1	2066359927	UQXQGUDDYAQYDY-OAHLLOKOSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC2CC3(C2)CC(C)(C)C3)N1	2066376133	RARQQPQVUPMVMF-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2CCC=CCCC2)CCCC1	2067501711	AERBYGNLQXLDKW-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2067530208	ONUSDRGCUKPCBO-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)c1cc(C)ccc1C	2068823809	UIMQTRIGBLJABC-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CCN[C@H](CC1(C(C)C)CCC1)[C@]1(C)C=CCC1	2071945179	DHLBPSWOFRUXLT-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)[C@H]2CCC23CCC3)CCC1	2071946230	NPLQVSWZXNPDNB-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@]2(C)CC=CCC2)CC1	2072790911	KRLZQBXSSQFUHZ-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)C[C@H]1CC[C@H](C)CC1	2072880230	ZJSKNEIKTYRYCG-DNNBLBMLSA-N	248.410	4.764	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CC1CC(=C2CCC2)C1	2072887589	BZYGMGLQNUVBFG-CYBMUJFWSA-N	249.442	4.633	0	10	BJAE	
CCCc1ccccc1OC[C@@]12CCCC[C@H]1C2	2074094727	NKWXDLWMDMBCAV-RDJZCZTQSA-N	244.378	4.598	0	10	BJAE	
CCC1CCC(C[C@H]2CCCNC23CCC3)CC1	2076651111	RISKDHPZXYSXSL-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1CC(C2CCC2)C1	2077196378	SQSOODUWPBKJLF-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc([C@@H](C)C[C@H](C)NCC)cc1	2077920541	LZGDUUIHEYNLBI-GJZGRUSLSA-N	247.426	4.521	0	10	BJAE	
CCN(CCC1=CCCCC1)[C@H]1CCCC1(C)C	2078722691	YKFDHAFFRORNEM-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
N[C@H](CCC1CCC1)[C@H]1C[C@@H]1C1CCCCCC1	2079430315	CSSAXJYDNZZPSM-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc(NC[C@@H]2C[C@@H]2CCC)cc1	2079656056	LOYVILXOYQUJFQ-HOTGVXAUSA-N	245.410	4.877	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H]1C[C@@H]1C(C)C	2079850238	DMXKTJCPBIBXHZ-GOEBONIOSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1=CCC(C)(C)CC1	2081782294	XDPLFZARVPOHNC-MRXNPFEDSA-N	249.442	4.847	0	10	BJAE	
CC[C@H](C)c1cc(C(=O)C(C)(C)CC)ccc1O	2082436537	PHWPGIPRSOMOTE-NSHDSACASA-N	248.366	4.525	0	10	BJAE	
CCCC1CC(N)(CCCCCCC2CC2)C1	2213572318	UQZSHUBRJPXETJ-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCC1CC([C@H](O)CCCCCCC2CC2)C1	2213583614	UJPFSXPORTXLDX-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C(=O)CCCCC(F)F)C(C)C	2216502906	PODWCXQJHYNCJK-LBPRGKRZSA-N	248.357	4.699	0	10	BJAE	
CC1(C)C[C@H]1[C@H](N)CCCCCCCC1CC1	2216878402	UTWSQVQIJZGFDZ-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](CNC1CCC1)C1CCC1	2217126222	AEHUPICSBVUMKN-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C1(CN[C@@H](C)CC)CCCCC1	2217133478	AVQQVVVSJPLEFS-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H](C)c1ccoc1	2217243141	VOLWATLRWWAVEC-SNVBAGLBSA-N	249.741	4.669	0	10	BJAE	
CCCN[C@H](C/C=C/c1ccccc1)C(C)(C)C	2219083403	WHXZQXPUKXEFEE-ONOODXEBSA-N	245.410	4.504	0	10	BJAE	
N[C@H](C[C@@H]1CCC2(CCCC2)C1)C1CCCCC1	2220291264	GTAUYUJSOGEZEG-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC2(C)CC3(CCC3)C2)C1	2220937483	YACVFIVBDVSDNL-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CCC1)C1(C)CC2(CCC2)C1	2221005144	YIAUYRADROJDJV-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N)(CC2(C)CC3(CCC3)C2)CC1	2221041753	UMFCHLIAGWOMJU-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@]1(C)CC=C(C)CC1	2221612866	ATQMRFDAVYDSLI-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)[C@H](CC(C)C)C(C)C	2222008665	ILENRFLEGROJMN-WBVHZDCISA-N	247.426	4.622	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CCN[C@@H]1C1CC1	2223132871	OZQWKNLSRTXQMB-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
C(CCCNC1(CC2CC2)CC1)CCCC1CC1	2223161386	BHQKIZPHYCGXNN-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@H](NCCC)c1cccc2ccoc12	2224181699	QYIVENVDROPRQS-HNNXBMFYSA-N	245.366	4.664	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2(C)CC(C)C2)C1	2246522987	MTYJUKJZMONEHM-IQXANGCESA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CN)CCC[C@H]1CCCCC12CC2	2246636145	ZSHLJDAEBTXLPU-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CCC(CC)C[C@H](CCCC[C@@H]1C[C@H]1C)NC	2247162420	GOWSARXXSXDCGB-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](N)CCCCC[C@@H]2C[C@H]2C)CC1	2248822366	SULGUXFRTKTUBL-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cc(C)c(C)c(C)c1	2249498035	CNMBNDKVVHJUGQ-HNNXBMFYSA-N	231.383	4.602	0	10	BJAE	
CC(=O)c1ccc(-c2cc(C)c(C)c(C)c2)s1	2249498639	LAXGDHFVRQUGRE-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](O)[C@H]1CC1(C)C	2250478115	FKSCWMVKDUNJPZ-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@]1(F)C[C@H]1C	2250482866	WVTVISVSAYRBTI-GUTXKFCHSA-N	242.378	4.546	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(C)CC[C@@H](N)C1	2250486868	UVKIFOSWCQXUQD-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@]12CCCC[C@@H]1CC2	2251103798	KBJUJLPPFYJVLY-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC1CC(CC(C)(C)C)C1)NCC	2251499302	BEXPBRWFEZRMAO-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H]1CCNc2ccc(F)cc21	2251636176	MJPWXKWGAUZDPZ-LBPRGKRZSA-N	235.346	4.551	0	10	BJAE	
CN[C@H](CCCCC[C@H]1C[C@H]1C)c1ccccc1	2254591637	FSJAWFMDNZRDHT-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@H]1CCC12CCC2	2254981692	VRQPMLKKNUGMGE-AWEZNQCLSA-N	239.362	4.530	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)CC1=CCCCC1	2255132909	MOMXZNPABNYNCF-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
C1=C[C@@H](Cc2cccc(CC3CC3)c2)CCCC1	2260824977	JFBIUZLTSDJKER-OAHLLOKOSA-N	240.390	4.928	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)([C@H](C)CC2CC2)CC1	2298861851	OYKNNKXEUKTHPX-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC1CCC1)C1(N)CCCCCCCC1	2298869723	LLTWUDORKVQZQG-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCNC[C@]1(CC=C(C)CC)CC[C@@H](CC)C1	2300869344	HORAMZOOHOMNET-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC=CCC[C@@H](CC1CCCCC1)NCCC	2300902449	UQTJMHGYEJULMJ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)C[C@@H](C)CC(C)(C)C	2301906602	BCCXGIZASMCZQF-RDBSUJKOSA-N	240.431	4.946	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)CCCC1=CCCCC1	2302355297	AELIPTKZFGFHQX-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)C[C@@H]1CCC(C)(C)C1	2302752398	DARSUUNZJASACH-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCCC[C@@H]2C[C@@H]21	2302830016	HHYPPIBRRJXWCD-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCC1(C(=O)C[C@H]2CC[C@H]2C(C)(C)C)CCC1	2303505900	LVTYLNDILWEEPY-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@H](CC(C)C)C[C@H](CC)CCC	2307832723	VZFTTYVQPXKFMW-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CO)CCCCC12CC2	2307899609	RBQCZXKSGSVZGS-GDBMZVCRSA-N	238.415	4.536	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@]12CCCC[C@H]1C2	2311164655	ONSQSRQSSWICBN-LJIGWXMPSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)C[C@@]12CCC[C@@H]1CC2	2313353372	MYVGVBKTQWKYGJ-NNXHMXCWSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1C[C@](C)(F)C1	2315874943	QPLUDHXQDXUGGF-SAZUREKKSA-N	249.373	4.669	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H](CC)c1ccccc1	2316247141	AXFXNXKSELPRJX-SJORKVTESA-N	248.410	4.758	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@H]2C[C@@H]1C2)CCCC(C)C	2316491466	OBKTZLVRFYDNCB-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@H](O)c1cccc2ccccc12	2316504227	SZYJKPPEAMJTDM-KRWDZBQOSA-N	240.346	4.620	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H]1CC[C@@H]2C[C@@H]2C1	2316511152	RAUOOCAYOLBCOR-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
c1cc2c(c(OCC3CCCCCC3)c1)CCC2	2316886382	QOWXOEKSUTWEGN-UHFFFAOYSA-N	244.378	4.525	0	10	BJAE	
N[C@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCCCC1	2316886920	ZDHCZBCZKWNCFJ-XJNFMUPTSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H](C)[C@@H](C)C(C)C	2317898091	KHUPCPCZDJSDRN-UONOGXRCSA-N	246.394	4.750	0	10	BJAE	
CC1(C)CC[C@@H](CC2(CN)CCC3(CC3)CC2)C1	2319038809	GTBHLSMLPYQPJU-CQSZACIVSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCCC[C@@H]3C[C@@H]32)C1	2319244070	RVCSJMRQEOEOBG-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCC1CC1)C[C@H]1CC[C@@H]1C1CC1	2319491420	HTAYMUXDDMEZQM-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1N[C@@H]1CCC2(CCCC2)C1	2320174285	DPTWJKPOLZRBBX-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)CC2CC(C)(C)C2)CC1	2320401678	KZZKTEDCWKPBLK-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CC1(CN[C@@H](CC2CC2)C2CC2)CCCCCC1	2320522430	AJWAIALVJKXEIM-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@H](CC2CC2)C2CC2)CC1	2320765598	MWPLGSBUTKZVRR-KBRIMQKVSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CC[C@H](C(C)C)C2)c1	2321089037	HYHJVDOSWOEHAD-DZGCQCFKSA-N	249.373	4.625	0	10	BJAE	
CC(C)CC12CC(C(=O)CC(C)(C)C3CC3)(C1)C2	2321587905	QDPYGCDHKPWXGV-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C[C@H]2CC[C@@H]3C[C@H]23)C1	2321624448	GYLVQZGVERXPGV-IXYNUQLISA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cccc(C)c2N)c1	2327784737	RKIHUPGNNVUWKC-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1coc2ccccc12	2328270844	CNMMRARSKWUGPF-SWLSCSKDSA-N	245.366	4.649	0	10	BJAE	
CC(C)(C)c1cc(N)c(Cl)c(C(C)(C)C)c1	19801582	XDNNHBKVUVEILV-UHFFFAOYSA-N	239.790	4.517	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)CCCC(C)C)cc1	20004017	KORLJVQRWNLNOJ-CVEARBPZSA-N	247.426	4.860	0	10	BJAE	
CCCCCC[C@H](C)Nc1c(F)cccc1F	20520428	LOKBZTXWVAOFLD-NSHDSACASA-N	241.325	4.736	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)(C)C)c1ccc(C)cc1	35466118	YLJJQEHKDFUFFH-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
Clc1ccc2[nH]c3c(Cl)cccc3c2c1	36405802	RFAIUTIUSCRMNR-UHFFFAOYSA-N	236.101	4.628	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccc3sccc3c2)C1	36975863	ZVAJQYAJSSSOQG-WCQYABFASA-N	245.391	4.892	0	10	BJAE	
C[C@@H](NCC(C)(C)C)c1cccc2ccccc12	40492438	SXKOLXCJXKZVQW-CYBMUJFWSA-N	241.378	4.537	0	10	BJAE	
CCCCCC[C@H](NC)c1ccc(Cl)cc1	71085123	SHXKZTBSNQLMGH-AWEZNQCLSA-N	239.790	4.571	0	10	BJAE	
CCCCC[C@@H](NCCC)C1CCCCC1	82434279	RPUAGBSYPWFXKW-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H](C)C2)CC1	86897458	XMLGUOQUPPOWMJ-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NC(CC(C)C)CC(C)C	88293215	SGHOUAGPPRNQCI-CABCVRRESA-N	241.463	4.862	0	10	BJAE	
CCC1CCC(/C(C)=C/CCNC(C)C)CC1	93675285	WNGAOYCEYRNSPL-VGOFMYFVSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1c(C)cc(C)cc1C	109786895	FUJZLINWJBMNRE-RDJZCZTQSA-N	248.410	4.862	0	10	BJAE	
CCCC[C@@H](CCC1CCCCC1)NCC	124714201	ASZAAYVSMBBFGG-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC(C)(C)C1CCC(CN[C@@H]2CC=CCC2)CC1	129924093	FSQFCIGGUNSFSQ-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCN[C@H]1CCC(C)(C)C[C@H]1C	134297690	SVMNZTGYCZTRNU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@](N)(CCC(C)(C)C)c2ccccc21	137048985	IFBGYTGVZZAFKF-SUMWQHHRSA-N	245.410	4.564	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](C2CCCCCC2)C1	149438120	JMSFFTXNONVDFT-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](NCC)c1cccc(C)c1C	159535121	WWUJDMDXHUATFU-MRXNPFEDSA-N	233.399	4.534	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C[C@@H](C)C(C)(C)C	162466996	VUTCABBJAYNROK-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
CCCCC(=O)[C@H](c1ccccc1)[C@H](C)CC	164720101	VLBFBPAZBXQCQK-CJNGLKHVSA-N	232.367	4.576	0	10	BJAE	
CN[C@H](CCCC(C)C)c1c(C)cc(C)cc1C	229171021	YEGYAJVBAFHDAW-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)c1csc(Cl)c1	233000935	NWDBZBSKNPDBGW-VHSXEESVSA-N	245.819	4.631	0	10	BJAE	
CCCN[C@H](c1c(C)cccc1C)C(CC)CC	233090501	IBCOIJKZTZHVBU-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H]1CNc2ccc(Cl)cc21	233820693	RRALHXNVVRVKSP-AAEUAGOBSA-N	237.774	4.531	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@H]1CCCC[C@H]1CC	250738255	COUNMDJKHSYONE-YCPHGPKFSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCC[C@H]1CNC(C)C	251386559	XAWFVCFNXFQDMR-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)CCCC(C)C)C1	251648359	GIBRYJTYSJDRHG-OAGGEKHMSA-N	239.447	4.760	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@H](C)C(=O)c2ccccc2)C1	252907703	WYCTYZQCGROBQE-CTASWTNQSA-N	244.378	4.578	0	10	BJAE	
CC(C)n1cc([C@@H](C)C#N)c2ccc(Cl)cc21	260023809	MQESEHPSCBKPDW-JTQLQIEISA-N	246.741	4.503	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H]1CCC[C@H]1C	300282931	FBGIGLSCWFFZOJ-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CNCC1(C)CCCCC1	300553297	CJNHSUKLXBVVSE-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCC1CCCC1	300746286	JMTOYTLLNHTOQE-CQSZACIVSA-N	224.388	4.742	0	10	BJAE	
CC(C)c1ccccc1NC[C@H](C)C(C)(C)C	302364840	BVMBAHBEYFNDHX-ZDUSSCGKSA-N	233.399	4.904	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1CCCC(C)(C)C1	302554716	WJOQXYVHZQUQAX-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](C)C(=O)c1ccccc1	304152274	CYPOAIOHZTWXRD-KBPBESRZSA-N	232.367	4.578	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)CCC1CCCCC1	304190166	UNLPXPKCQWBCHO-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](C)C1(CCC2CCCCC2)CC1	305894607	AYXOOMWLVAQHAE-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc2ccn(CCC3CCCCC3)c2c1	305933703	KHMXFNPJAWHREH-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NCC)C1CCCC1	308047644	ITHWRHJEQUTHFD-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(O)CCCC(C)(C)C	309992155	RXIPKHWXFRWMRR-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1CCC[C@H](C)C1)NC	310178604	VVIRHJCUJSKLDY-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C1(CCC)CC1	310298994	PRYXTCLTTCHFQU-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@](N)(C[C@@H](C)C2CCCCC2)C1	310332944	MACPYWUVDXOYCE-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H]1Nc1ccccc1-c1ccccc1	310627532	DIMFXJRQIUYXEW-CZUORRHYSA-N	237.346	4.564	0	10	BJAE	
CCCC1([C@H](O)c2ccccc2C2CCC2)CC1	310821530	XGGFSMQGWHGPMB-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCCN[C@H](c1cc(C)oc1C)C1(CCC)CC1	310948896	QOIJCKRDKMWNBI-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCC(C)(C)C)cc1C	313266090	PWJYIHHEKZXQIT-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CCNC[C@]1(C[C@H](C)CC)CCC[C@H](CC)C1	317068892	GGIYKEIWUUEEBP-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@H](C)[C@]1(O)CCC[C@@H](C(C)(C)C)CC1	319338911	KTEKPCABWINELD-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CCCNCC[C@@H](C)CC/C=C/c1ccccc1	324086630	AYVPYMVONAAYLY-RCLKMUNOSA-N	245.410	4.506	0	10	BJAE	
CCCCCc1ccc(N[C@H]2CC[C@@H]3C[C@H]23)cc1	378953638	JOKZHXHGICRTPO-PVAVHDDUSA-N	243.394	4.630	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@@H](C)C[C@H]1C	383555423	RBDKNDYTQMZBRB-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
C[C@H]([C@H](O)CC1CCC(C)(C)CC1)C(C)(C)C	383614240	TZNMUXUFQSLTLZ-TZMCWYRMSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)CCC1=CCCCC1	384826380	DIDNGMFEZWHDAQ-GJZGRUSLSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2CCCC[C@@H]2C)cc1	384977793	JDXVDFPZHVXEPQ-XJKSGUPXSA-N	244.378	4.819	0	10	BJAE	
Cc1ccc(Cl)c(NCCC2=CCCCC2)c1	385144717	JAQQIYCIJAHEND-UHFFFAOYSA-N	249.785	4.951	0	10	BJAE	
c1cc(N[C@@H]2CCC[C@H]3C[C@@H]32)c2sccc2c1	386269254	YSPYWSJROCMCQP-RWMBFGLXSA-N	243.375	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](O)(CC)C2CCCC2)C1	387591020	SPCNJNUGLZGYMT-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CCCc1ccccc1	394144912	ZVFGLJLSGSFUFW-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
CCc1ccccc1NCCC1=CCCCC1	395307996	FLWZIPQJYBQJEA-UHFFFAOYSA-N	229.367	4.551	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)c1ccc(C(C)C)cc1	395573057	ODBJRLDEOCICET-HZPDHXFCSA-N	244.378	4.675	0	10	BJAE	
CCc1cc2ccc(CC)c(SC)c2s1	396162080	AOTHIQSPZDWQJL-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CC(C)(C)c1ccccc1[C@H](O)CC1=CCCC1	400535343	WSZJLSOTLMTOBO-MRXNPFEDSA-N	244.378	4.518	0	10	BJAE	
CN[C@H](CC1=CCCC1)C[C@H](C)CC(C)(C)C	401087702	SFXKZMSTUJXNSW-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](CC1(C)CC1)NCCC	401415034	RDSJPFPWHPGCRJ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCN[C@H](CC)CCCC(C)(C)c1ccccc1	686728633	MTYSHIDQOUSYJS-MRXNPFEDSA-N	247.426	4.523	0	10	BJAE	
CCN[C@H](CCC(C)C)c1cccc(C(C)C)c1	688940496	TVPBYMPEAXYMQJ-QGZVFWFLSA-N	247.426	4.897	0	10	BJAE	
Cc1ccccc1N[C@@H](C)CC1CCCCC1	689720180	SPRAPNDEJKQFSY-AWEZNQCLSA-N	231.383	4.766	0	10	BJAE	
C[C@@H](NC[C@H]1CCCC2(CC2)C1)C1CCCCC1	695692377	VUSZSDKRHQXRRA-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]1CCC[C@H](CCC(C)(C)CC)C1	696703891	OWXCPIZTVUYECT-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCC(C)(C)CC)C1	696751122	UBMBACAXEBYEJK-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)C[C@@H]1CCC(C)(C)CC	696799032	INGHZRUUSLNVKA-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@H](C)NC1C(C)(C)CCC1(C)C	699594170	XVAVRIKGMVXZBB-GFCCVEGCSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1C[C@H]1C(C)(C)C	699994077	XZGHFTFMWJJOKC-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C(C)(CC)CC)CC1	701080061	UPCGFCZRZZMWDD-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](Nc1ccc(C(C)C)cc1)C(F)(F)F	702899583	IXACYKJWBQWTPX-GFCCVEGCSA-N	245.288	4.563	0	10	BJAE	
C[C@@H]1CCC[C@H](C2(N)CCC3(CCCC3)CC2)C1	704450331	WJDPWWKWKDHJGE-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](C2(N)CCC(C3CCC3)CC2)C1	704464458	GAQOLQCSPNXNKD-AKBUMOGYSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C[C@@](C)(N)CCC(C)(C)C)CC1	704851771	FTCTYGUIQYHSIB-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CC[C@@](N)(CCC1CCCCC1)[C@H]1CC1(C)C	704986497	XXTGYDFNYUCRKC-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C1CCC1)C1CC1	705286325	AQRJKMOZKFTGPD-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)c1ccccc1Cl	709247889	GTMBDYFWOLBBPZ-JTQLQIEISA-N	238.758	4.595	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C12CCC(CC1)CC2	710171871	HQJIRHXJDRGEIW-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@@H](C[C@@H](C)C(C)(C)C)C(C)(C)C	711172515	KPFWERGYQOKOCV-ZIAGYGMSSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H](C[C@H](CCCC1CC1)NC)C(C)(C)C	711189256	HPNSPEYCAHUHNB-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1C[C@H]2CCCC[C@@H]21	712393082	WESWMJCPIJOQCC-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CC(C)(C)CC[C@@H]1C	713069200	XJHSIVOUAGQSRY-NHYWBVRUSA-N	249.373	4.761	0	10	BJAE	
CC(C)C(C)(C)CNc1cc(F)cc(Cl)c1	713133049	WXMPOGMIJIQWKA-UHFFFAOYSA-N	243.753	4.573	0	10	BJAE	
CC(C)NC[C@@]1(CC(C)(C)C)CCC[C@@H](C)C1	713310602	GSGLQWLWEZRCGO-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCc1ccc(C(F)(F)F)cc1C	713643601	HWGLZKXBVZJUKK-SNAWJCMRSA-N	240.268	4.689	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)c1cc(C)ccc1C	718688642	FLQUYODCRUQSIZ-KRWDZBQOSA-N	246.394	4.647	0	10	BJAE	
CCC[C@@H](CC)N[C@H](CC)CC1CCCCC1	720941785	XHHPHMIMCBGPCW-HZPDHXFCSA-N	239.447	4.904	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CCCC2(CC2)C1	723603570	MTCSZOCSVZXWCL-ZDUSSCGKSA-N	249.785	4.783	0	10	BJAE	
CC(C)(C)c1ccc([C@@H]2CCCCCCN2)cc1	725348333	AQAJVTRVAZVKHP-INIZCTEOSA-N	245.410	4.579	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCc1cc(C)cc(C)c1	1461514153	PZADCYAAGQTUJT-MRXNPFEDSA-N	245.410	4.528	0	10	BJAE	
C1CCC(CCN2CCCC[C@H]2CC2CCC2)C1	1473664137	RBOMIGHVCBQFCP-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CCCC[C@H]1NCC1(C)CCC2(CC1)CC2	1875708418	GUSCJIFJAUJEGI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@]2(CCN2CC2CCCCC2)C1	1875957745	QQLNJVSJBAOBNR-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCCN(Cc1ccccc1)[C@H](C)[C@H](C)C(C)C	1889160985	FWJYOZBSLQSILP-HZPDHXFCSA-N	247.426	4.579	0	10	BJAE	
CCCCCNc1cc(C(C)C)ccc1C	1900568386	DXDPYEUNJIWPOZ-UHFFFAOYSA-N	219.372	4.721	0	10	BJAE	
CCCCCNc1cc(C2CC2)ccc1Cl	1900690188	DCRUCERGZQZKRO-UHFFFAOYSA-N	237.774	4.820	0	10	BJAE	
Cc1sccc1-c1cc2cccc(C)c2o1	1901899529	RSYDQVCPQYOACJ-UHFFFAOYSA-N	228.316	4.778	0	10	BJAE	
CCCC[C@H](C)c1nc(CCC2CC2)cs1	1901902994	BSWCJEKTMNCTSS-NSHDSACASA-N	237.412	4.779	0	10	BJAE	
CCC(CC)c1ccccc1OC(C)(C)C	1905235503	KEDDFVHJMPLUTO-UHFFFAOYSA-N	220.356	4.768	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C1CCCCCC1	1907594712	RIYCMLWOBAZDTC-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CC1CCC(C)(C)CC1	1909579917	HHLWUSQYMIFGFS-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H](CC)CCCC	1912130973	ZBMSFMUMGRQRPU-CVEARBPZSA-N	237.431	4.703	0	10	BJAE	
CN[C@@H](CC1(C)CCC1)C1CC2(CCCCC2)C1	1912600167	VDBRPXLSMVBTGY-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CCC(=O)C1CC2(CCCC2)C1)C1CC1	1912640958	PAIKHLZXVPEOHF-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H]1CCC2(CCCCC2)C1	1915856266	YHODIIUFRDLHFK-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)c1cccc(C(C)C)c1	1919941249	RIFQFWQXJMBROE-YOEHRIQHSA-N	248.410	4.844	0	10	BJAE	
CCCC1CC([C@H](NCC)C2=CCCCCC2)C1	1921177934	YRZRBWPBOQHMJG-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
C1CCCC(CN[C@@H]2CCCC23CCC3)CCC1	1921497738	NGGVNTFTLOSJDA-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C)CCC=C1[C@H](CN)CCCC12CCC2	1924840256	VNYCVYYAMYEHCE-AWEZNQCLSA-N	249.442	4.668	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)C1(C(C)C)CC1	1925769654	KMLOGTKPLXABNM-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CC1)C(C)(CC)CC	1940724044	YYSNTZWCEJSBFD-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@]1(CNCCC)CC=CC[C@H]1C	1940954925	YGDHNZUTIDRWIO-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CCC(C)(C)CC)NC	1941268869	KHCGEBJCSNYRJW-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1CCCCCC1CC1	1941687189	HQWFKQYRURTIAW-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)c2sccc2C2CC2)C1	1942502052	RYKJAKBAINSILG-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944173967	DKVSZLAEWXFIOM-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Cn1ccc2ccc(Cl)cc21	1944799920	TXFGUEKMYGPPPN-DGCLKSJQSA-N	247.769	4.731	0	10	BJAE	
Clc1ccccc1NC1C[C@@H]2CCCC[C@H]2C1	1946292103	YYXXAURTLUKMAC-RYUDHWBXSA-N	249.785	4.721	0	10	BJAE	
CC=C[C@H](C)N[C@@H](C)c1cc2ccccc2s1	1947056378	CQBVKKUFJRFTFL-RYUDHWBXSA-N	245.391	4.517	0	10	BJAE	
C1=C[C@@H](COc2cccc3sccc23)CCC1	1947561531	JDMUDYZPLJZHRU-GFCCVEGCSA-N	244.359	4.636	0	10	BJAE	
CC[C@]1(C)C[C@H]1NC1CCCCCCCCC1	1947878172	FGMXLYLGGDVRPJ-HZPDHXFCSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(N)[C@H](C)CC(C)C)C1	1948325110	FGVMUWVCDSGXEY-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CC1(C)CCCC1	1948982160	KRFCNBCFAPBNPU-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@](N)(CCC2=CCCCC2)C1	1949044722	YTQVCBVVWZINFL-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CN[C@@H](CCC(C)(C)C(C)C)CC1CCCC1	1949861763	JGINOKXIXAYYFE-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)CC2CCCC2)C1	1949861923	KSEVAOIXMDUGGA-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CC1(CO)CCC(C)(C)CC1)C(C)(C)C	1950909127	TXJGSGBJAKVWLW-ZDUSSCGKSA-N	240.431	4.638	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CC2(C)CCC2)CC1	1950920114	SELFNJAVKUCFGE-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCC2CCCC2)CC1	1950931336	WDXFBUDRPGSIHX-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC=CC[C@H](CC)c1ccc(OCCC)cc1	1951308138	AJVGERLUHWMHEG-AWEZNQCLSA-N	232.367	4.935	0	10	BJAE	
CCC=C[C@H](C)Cc1ccc(OCC)c(C)c1C	1951308826	OSNKJOGXEAFRNI-ZDUSSCGKSA-N	246.394	4.847	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](CC)Cc1ccccc1	1963228589	JGOMGHDMBODCAP-SJORKVTESA-N	247.426	4.566	0	10	BJAE	
Clc1ccccc1N[C@H]1CCCC2(CCC2)C1	1968256144	JFVLZQWGCNHTBY-LBPRGKRZSA-N	249.785	4.865	0	10	BJAE	
Cc1ccc(O[C@@H]2CCC3(CCCC3)C2)c(C)c1	1968395915	DBBBLXTXAFFYCP-OAHLLOKOSA-N	244.378	4.795	0	10	BJAE	
CC[C@@H](N[C@H]1CCC2(CCC2)C1)C1CCCCC1	1969166363	DFMVLXCTSARGJE-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCC1(CC)CCC(NC[C@@H](C)C(C)C)CC1	1970064170	FKKLZOLSZVSSJY-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)CN[C@H](CC)c1cccs1	1973174207	YHHAXXRPUIIHHW-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
CC[C@H](CN[C@H](C)c1ccc(C)c(C)c1)C(C)C	1973385941	NJTDLQFHADKYRY-HZPDHXFCSA-N	247.426	4.636	0	10	BJAE	
CCCC(C)(C)C(=O)CC1CCC(C)CC1	1976009340	XEOANLGQWKWIOQ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@@H](O)CC(C(C)C)C(C)C	1988232995	HBRUJPJNQNUSLP-CQSZACIVSA-N	228.420	4.636	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@@H](N)CC2CCCCC2)C1	1996260534	PHSBIKQPAHMADL-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@H]1CCC[C@H](C)C1	1996618829	XSXTYNGFIILFEZ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@@]1(C)CC=CCC1	1997545535	DBAPJSYUAAIYBT-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)NCC1CCC2(CCCCC2)CC1	2000273131	IVMJMGGRNUEPFO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)C1(CCC)CCC1	2000376521	NNXILNUNTZTRNG-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@@H](C)CC(C)C	2000381429	FCYHYFRNKNZKRT-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CN)CC1C[C@@H](C)C[C@H](C)C1	2000483281	LKSWXBMKJJGCRH-DZKIICNBSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@](CC)(CCCC1(C)CC1)CNC	2000504142	FCKDJSJQDYSZHZ-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@](C)(CNC)[C@H]1CCCC(C)(C)C1	2000519113	VKCNVDIQHWCAED-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@H]1CC12CCCCC2	2001262531	AAMRDDILFPYERX-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C(=O)CC2(C)CC2)CC(C)(C)C1	2002515063	JCDSQHFJTMMGPD-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C1CCC(C(C)C)CC1	2002928164	WTXLTVWFBSUHMA-ZBCRRDGASA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CNC1CCCCCCCC1)C1CCC1	2003100787	RPDWJLPSSLPUJV-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCCC[C@H]1O)C1CCC1	2003110311	CIUISURBUJWKOH-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCCCCC[C@H]1CC(C)(C)C	2003115893	FFPQIABYKOYTIS-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCC(F)(F)C1	2003199027	GWLMKQIAYQSYSA-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@@H]1CCCC2(CC2)C1	2003221438	OYRKQQPPAYXGHM-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@H](C=C1CCCC1)NCCC	2007937711	QLIFKKLHSSPSBS-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H]1NCC[C@@]1(CC)CC1CCCCC1	2009061243	DXBBGNFXEREUJW-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC[C@@H](C)C2)CC1	2009412107	VNGWOLFOROJAGO-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CC1(CCC2(CNC(C)(C)C)CCCC2)CC1	2009547170	KHGPVSORCUYAPB-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC=CCCCNC1CCCCCCCCC1	2009591617	WLQTYZATYCCQRD-UHFFFAOYSA-N	237.431	4.825	0	10	BJAE	
CC=CCCC[C@H](NC)C(C)(C)C1CCCC1	2009628234	MUEMJFFRGLUXJW-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H]1N[C@@H](C)C[C@H]1C1CCCCCC1	2009768326	CATWWIHPYYLYMK-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@H](NC)C1=CC[C@@H](C)CC1	2010623686	JDRJYLZYFVRUOE-CJNGLKHVSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC(C)C)C1=CC[C@H](CC)CC1	2010711897	DXWOABVFPIAMDO-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@](CC)(CCC1CCCC1)C(C)C	2012411751	MJYNCNXLHMRUCP-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@](O)(CCC(C)C)C1=CCCCCCC1	2013270905	MXEOAUGMNDVIMR-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)C2(C)CCCC2)c1	2014338105	HDWNXXKQNZPCBS-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@@H](C)C(C)C	2015397765	JDLVVWHRYWRWAM-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCCC1(C[C@]2(O)CCC[C@H](CC)C2)CCC1	2015640312	QSHFPOYDMMRHLS-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@H]2CCCCC[C@H]2NC)CCC1	2015644303	LOYXCLRLLUTEOR-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)C1(C[C@@]2(N)CCC[C@H](C)CC2)CCC1	2017140043	CIWWGFVEDUPFJB-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)C[C@H]1CC[C@H](C)CC1	2017651016	ONHLAJHXEXVXCW-KLHDSHLOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](CNCCC(C)(C)C)CC1	2017661233	BCLBPDAEIHIISC-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H](C)[C@H](C)CC)CC1	2017662591	KNXWHDCCHQOSCT-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C(C)C)[C@@H](C)N)CC1	2017720357	GLKKBOJJYCVERT-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@H](C)C1(C)CCC1	2019194737	RSBSDSYKACHBEJ-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1CCC(C)CC1	2020968551	WMJOYKJJZOKUAI-AVVWSFFYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](CCC(C)(C)CC)NCC	2022382947	ICHFVXGKIYIUDS-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CCC(=O)CC1CCCC1	2022555870	BBJJXGLVBHIUQQ-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CC2CCC(C)(N)CC2)C1	2024094085	HLNGBHUNYVEGJY-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C(=O)CC1(C)CCCCC1)c1ccccc1	2027291059	DWKBUQWUGVUQEY-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
CC1(CCCC(=O)c2coc3ccccc23)CC1	2027855056	LOGXIMCTOJFXGD-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCc1cccc(C(=O)[C@@H](CC(C)C)C(C)C)c1	2028255005	MFILCGGMMGQWQR-INIZCTEOSA-N	246.394	4.750	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1cccc(C2CC2)c1	2028551015	BMBHGSCAODQMEE-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
N[C@H](CC1CCCCC1)c1ccc(C2CC2)cc1	2028611744	YKQCOQNGMVOIAT-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
C(CCN[C@@H]1CC[C@H]2CCCC[C@H]21)CCC1CC1	2028646278	NHFAPDTYKNWJEB-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)[C@@H]1CCC[C@@H](C)C1	2028898338	UFGOLRLVZAUZDK-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1NC[C@]1(C)C=CCCC1	2030351599	LQUIEYZGDDDWSG-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C1CC1)C1=CCCCCC1	2032160661	WONXCVAKRXQPDL-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC1(CN[C@H]2CCC[C@@H]2C2CC2)CCCCCC1	2032698006	IBFKPCRNMAZOMA-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC1[C@@H]2CCCC[C@@H]12	2032837332	VCLPVGWMGYIJRM-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CCCCCC2CC2)CC[C@H]2CCCC[C@H]21	2034260462	UWYYMCMKJWMTTK-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](N)(CC2CC3(CC3)C2)C1	2036724331	LMEDCWNYOAKMPP-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
CC1(CCC[C@@H](N)c2ccccc2C2CC2)CC1	2037177875	GZXDERHWPYPOHA-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
Cc1cccc(C)c1N[C@H]1CCC2(CCCC2)C1	2037576913	STRIAAPPBJCGJD-HNNXBMFYSA-N	243.394	4.828	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)[C@@H]1CCC2(CCCC2)C1	2037694475	MSPBRDDMLNSMEE-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]([C@H]1CCC2(CCCC2)C1)C1(C)CCC1	2037766280	IMTXDQOADWSKNH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc([C@@H](O)CC2CC(C)(C)C2)c1	2037977192	SZZRHGSUNWWLIL-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@@H]1CC12CCCCC2	2038998912	GVNJKCOBJZGEJZ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@@H]1C=CCCC1	2043186206	CLDQYXZHWHOBBC-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)[C@@H]1[C@@H](C)[C@H]1C	2043292784	OVHCDYPRXGCOLB-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)C1CC(C)(C)C1	2043543701	MJJOJCFUVCJASO-ZDUSSCGKSA-N	245.410	4.876	0	10	BJAE	
CCN[C@H](C[C@H]1CCC=CCCC1)C1CC(C)C1	2045330317	VGVGVUTZXXCHSW-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccc([C@H]2C[C@@H]2C)o1	2045556588	ANZMONQESOUTJK-STQMWFEESA-N	246.350	4.722	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2C=CCCC2)cc1C	2045561365	XVTLJLOLJSAFAM-HNNXBMFYSA-N	242.362	4.541	0	10	BJAE	
CC1(C)CCC[C@H]1NC1CC2(CCCCCC2)C1	2046230928	ZGWZAZYFIHRWER-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC12CCCCC2)C1CCCC1	2047015472	JBNNZGIZZKWAGS-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@@H]2CCC=CCCC2)CC1	2049636672	NEXXBSQNANIFLS-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
NC1(CCCCCC2CC2)C2CCCC1CCC2	2049994182	FAXUQRWOFOOJKO-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@@]1(C)C=CCC1	2050004983	CAKNFOJGTJVQSR-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
Cc1ccc([C@H](N)CC2=CCCCCCC2)cc1	2050432113	UKEKYQAWDDZIPY-QGZVFWFLSA-N	243.394	4.666	0	10	BJAE	
CCN[C@H](C[C@H](C)[C@H](C)CC)c1cccc(C)c1	2050462066	AMPHJSOVCXYAHG-HLLBOEOZSA-N	247.426	4.718	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCCC12CC2	2053300917	AMEZEFYCASHZNM-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CC=C(C)[C@@H](NCCC)C1(C)CCC2(CC2)CC1	2056775327	GXPKHYGRCQZKDX-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2C=CCCCC2)CC1	2059002327	DKUAFVVERNQDKU-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@@H]1CC12CCCC2	2059179197	ZIOBUBCZOKZKHX-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCC[C@@H](NCCC)c1ccccc1	2059250942	VLTZYVOEDFGSEC-QGZVFWFLSA-N	245.410	4.864	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1C[C@@H]1C1CC1)NCCC	2059268097	VMQOFVFHOQCYTR-KTGDWTQYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)C2CCCCCC2)CC1	2061097411	BQNCHRHKNDAVDT-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CC2CC(=C3CCC3)C2)CC1	2061695702	GYUFQSUSMQQXHD-IUODEOHRSA-N	246.394	4.662	0	10	BJAE	
CC1CCC(C(=O)CC2C[C@@H]3CCC[C@H]3C2)CC1	2063534716	BTSLOIXJBGEEQG-UAOKOLBASA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C1CC2(C1)CC2(C)C	2064133588	WKSNQUAUDAGDEK-UIORMTCPSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H](N)C2(CC3CC3)CCC2)CCCCC1	2069512192	ZRVCQHHOBHPTET-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)n1cc(Cl)c(C2CCCC2)n1	2069783386	IFPMMNKTRWUQKC-UHFFFAOYSA-N	240.778	4.555	0	10	BJAE	
CN[C@@H]1[C@@H](C2=CCCCCCC2)CCCC1(C)C	2076401517	LZWIUSWLAPRKOO-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2077196972	OUTPQMKJJSDXDK-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]1C1CCC1)C1CCCCCCC1	2079330590	ZAGMTYCNCMHPMS-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1C[C@H]1C1CCCC1	2079434517	HVDITBDTYYCCCW-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1C[C@@H]1COc1ccccc1C(C)(C)C	2079807463	AVRJSLTWNKQRNY-UONOGXRCSA-N	246.394	4.799	0	10	BJAE	
C[C@H](CC1CCC2(CC1)CC2)[C@H]1CC[C@H](N)CC1	2082137405	SYXQQRADKRCQMQ-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CCCN(Cc1cc(C)cc(C)c1C)C(C)(C)C	2082953722	PVFIGJZAGPSQQA-UHFFFAOYSA-N	247.426	4.622	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@@H]1C[C@@H]1C=CCCC1	2083016144	APBSKMSLBUZEFY-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2CC(=C3CCC3)C2)C1	2083017021	HVRUHJFUOGJKDH-HNNXBMFYSA-N	246.394	4.662	0	10	BJAE	
CCC1CC(C[C@@H](NC)C2=CC[C@@H](CC)CC2)C1	2085002656	ZIIJZWRNHMUDKU-ARAOSMHQSA-N	249.442	4.537	0	10	BJAE	
C(=C/c1ccccc1)\C[C@H]1[C@H]2CCCC[C@@H]12	2210662981	VZPLZVCXYDXKBZ-KNLVPVJXSA-N	212.336	4.526	0	10	BJAE	
Cc1ccn(C2CC(C)(C)CC(C)(C)C2)c1	2211143761	UNSDHJZXMPIQAL-UHFFFAOYSA-N	219.372	4.574	0	10	BJAE	
C/C=C/CCCC(=O)c1sc(C)c(C)c1C	2211703449	OXHOBOOSBHFIND-AATRIKPKSA-N	236.380	4.602	0	10	BJAE	
CC(C)CCC[C@H](N)CCCCCCC1CC1	2213572344	UZPJLWLJLFGLNM-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCCN(C)CCCCCCC1CC1	2213582624	JSXPDOXRADJADJ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CN[C@H](CCCCC1CC1)CC1(C)CCCC1	2214564343	HGEDPAVWTNRLPV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)Cn1c(C)cc2cc(Cl)ccc21	2214996187	OZXPTJOKBLYJEX-UHFFFAOYSA-N	247.769	4.959	0	10	BJAE	
CCc1ccc(C(=O)[C@@]2(C)CC=C(C)CC2)s1	2215825048	ZWBMUWKGMYXQIT-HNNXBMFYSA-N	248.391	4.630	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@@H](N)CCCCCCCC1CC1	2216858583	DHHKLTDCGOSPPM-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CN[C@@H](C)CC)CC(F)F	2217125209	NMZQSYHODXOJHW-JSGCOSHPSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](CCCCCC(C)C)CNC1CCC1	2217156396	KSPUVZOWKNBPMM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
NC1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCCCC1	2218357501	RIISEQVIZANUEW-ZSHCYNCHSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)c1cc(C)co1	2220028406	RUFVJCSKWXHWNY-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)CC2(C)CC3(CCC3)C2)C1	2221036753	BRQPNHSPHQJKMA-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(CC2CC3(CCC(N)CC3)C2)C1	2221042766	ZTSHHXOQADHBRI-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC)c1cccc(C2CCCC2)c1	2223262477	BJWSWZTWGCABME-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CCCCC2)C=CCCC1	2223541124	FVWGIDSUIXLBJL-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](c1cccc2ccoc12)[C@@H](C)CC	2224181227	OUUHPTGWHNYTSQ-WFASDCNBSA-N	245.366	4.520	0	10	BJAE	
Cc1sc(-c2cc(=S)c(C)c[nH]2)c(C)c1C	2242873252	LWPVNIRQMUGPCO-UHFFFAOYSA-N	249.404	4.706	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1c(C)sc(C)c1C	2244779591	DPKWUUWRDNQZFR-TZMCWYRMSA-N	240.412	4.533	0	10	BJAE	
C[C@H]([C@@H](N)CC[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2246665699	LFYACRMUXXEJOU-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@@H]1CCC1(C)C	2247316440	YDTFLJFUNZRPAE-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(O)(CCCCC[C@@H]1C[C@H]1C)C(C)C	2248870376	LVUKWIDRGYFNRI-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1(O)CCCCCC1	2248874719	YFTDIAYNOVZSBA-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@H]1CCC[C@@H]1C	2250487511	BKAAEQSDBVWNBT-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@@]23CCC[C@@H]2CC3)c1	2251160697	AWWFYDXFDRTTFR-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CCCN[C@H](CCC1CC(C)C1)C(C)(C)CC	2251755106	LOPMLDKOIIBLSE-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)c1ccc2ccsc2c1	2253064161	YNXIFEXHZMBMMO-AWEZNQCLSA-N	247.407	4.583	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)C[C@@H]1CCCCC12CC2	2253833582	QVDLFQNXKDCAAE-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C2C[C@H]3CC[C@@H]3C2)C1	2253921101	NSXJPNWBLDGTKM-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNCC[C@@H]2CC=CCC2)C1	2253950791	GINARMTZYQDRGW-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCC[C@@H]3CC[C@H]32)C1	2254004030	QXTLZSUBPPEPIC-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1C[C@]1(CN)CCCCC12CCC2	2254838765	PFVBRXCIIVRDQJ-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CC(C)[C@@H](Nc1cccc(C(C)(C)C)c1)C1CC1	2257885006	GLYPWIRIFKJLKU-MRXNPFEDSA-N	245.410	4.831	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2cccc(C(C)(C)C)c2)C1	2257944147	FJJBSASBIFEBST-DZGCQCFKSA-N	245.410	4.975	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cccc(C2(C)CC2)c1	2259434615	DEHXATLTINXNJJ-CJNGLKHVSA-N	245.410	4.564	0	10	BJAE	
CC(C)(CCC(=O)[C@]12CCCC[C@H]1CC2)C1CC1	2260534882	COSUYSVNAPWUCO-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
CCC1(CC)CC(N)(C[C@]23CCCC[C@@H]2CC3)C1	2260677001	CBXITNXROFRMGE-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
CNCC1(C[C@]23CCCC[C@@H]2CC3)CCCCC1	2260677832	HSCCQZVLWSHABT-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)CC1CC([C@H](N)C=C2CCCCC2)C1	2261195868	GHYPHOGYNRQMBU-UYSNPLJNSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H]1C[C@H]2CC[C@@H]1C2	2298626001	TWUFPZNHIQVVCG-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H](C)CC(C)C	2300458715	MCLMJMDOBGOXBX-AWEZNQCLSA-N	233.399	4.965	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)CC(C)(C)F	2300682910	DMETXXJDSXGDFM-CQSZACIVSA-N	245.426	4.709	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1CCC2(CC1)CC2	2300684735	XGKXXGCUCXIJHD-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@](C)(CN)C1CCCCC1	2300684986	ZVFWNOAWFJTILG-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
CC[C@](N)(CC=C(C)CCCC(C)C)C(C)C	2300888897	NOTROZXBLZHMHW-INIZCTEOSA-N	239.447	4.913	0	10	BJAE	
CC(C)C[C@H]1CC[C@@]1(O)CC1CCCCCC1	2301136350	WFTWCUGKESCNDI-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
N[C@@H](CCCC1CCC1)CCC1=CCCCC1	2301908642	URVPPLLQYMPESP-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@H](C)CCNCCCC1=CCCCC1	2302327738	BPVPYNUBKCCSAH-OAHLLOKOSA-N	237.431	4.683	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CC[C@H]1C(C)(C)C	2303402591	TUWIODVSKXSZBV-ZNMIVQPWSA-N	237.431	4.536	0	10	BJAE	
CCC[C@]1(CNCC(C)C)CCC(C)=C(C)C1	2303471749	ADZXUOAAWSVDQZ-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
C[C@H]([C@@H](O)CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304398318	CHXRXMKCBDQLAR-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@H](CC[C@](C)(N)C2CCCC2)C1	2304448138	VJAYECATKMBNHH-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H]1CC[C@H](C(C)C)C1	2307909864	WAGRZSCJCONXLJ-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1C[C@@H]1C)CC1=CCCCC1	2310434178	GBYKTMBFZIHRKK-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](N[C@@H]1CC[C@@H]1C1CCC1)C1CCCC1	2310980179	RRGFNASCYVXAEK-BRWVUGGUSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C(=O)C[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2313344025	MENKTHYJMOLTBU-UNEWFSDZSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H]([C@H](C)CC1CCC1)[C@H]1C=CCCC1	2313662150	QBIJNBJGTWBZMS-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c([C@](C)(N)CCCC(C)C)cc1C	2315949677	JWHBDIUCHCIFCL-QGZVFWFLSA-N	247.426	4.612	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC(C)(C)C)CC=CCC1	2316488224	AADLQINZSNESCF-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CCC(C)=CCN(C)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2316516567	IJUXPWGHZSFOPA-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CCCC(CCC)NC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317039645	GNELCYICRMUUFX-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C[C@H]1CCNc2ccccc21	2317838311	ZTDJTMDLSJJECN-QLFBSQMISA-N	245.410	4.904	0	10	BJAE	
CC1(C)CC[C@@H](CNCCCC2=CCCCC2)C1	2318533183	FQTVRRRHORVPJY-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
Cc1cccc(NCCCC2=CCCCC2)c1C	2318552078	VMBMJZNNUVNGHZ-UHFFFAOYSA-N	243.394	4.996	0	10	BJAE	
C[C@]1([C@@H](N)CCCC2=CCCCC2)C=CCCC1	2318589890	VKUNRMSSVQUSLY-IRXDYDNUSA-N	247.426	4.731	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CCCCCC23CC3)C1	2319033867	GHSDWKWGKLBNBK-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC[C@H](N)c1ccccc1	2320250592	SFQIHMVWAHMXNG-BMFZPTHFSA-N	245.410	4.539	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@H]1CCC12CCC2	2320255794	PBMUCXNMPMATFM-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)C1(C2CCC2)CC1	2320259212	RVZWFCUDMNZLBZ-TZMCWYRMSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCCC(C)(C)[C@H]2N)CC1	2320339323	CTQLNKVMWDIFNC-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](CC)C(=O)Cc1cccc(C(C)C)c1	2320665322	BPQWQXPABVCPRP-OAHLLOKOSA-N	246.394	4.748	0	10	BJAE	
CC1=C(C)C[C@H](NCC[C@@H]2CCC(C)(C)C2)CC1	2321629052	XHLJIXDZBQJRAE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CCC(C)(C)C2)cc1C	2321633401	KLYUMZBBMHQODK-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
Cc1cc([C@@H](N)CC[C@@H]2CCC(C)(C)C2)c(C)o1	2321640180	SELZVLGJZIGPHH-HIFRSBDPSA-N	249.398	4.503	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)CC2CCCC2)c1	2327675665	OJNOTMRHZIKKQT-QGZVFWFLSA-N	246.394	4.732	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CCC[C@@H]2C)c1F	2327775859	FVZWYZIOBJLRSX-QWHCGFSZSA-N	249.373	4.797	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@@H](C)C2)c1	21790168	ROYSLPQSEITQJL-UKRRQHHQSA-N	231.383	4.801	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(N(C)C)cc1	36335343	SYESKUSMQRGZGF-CQSZACIVSA-N	248.414	4.523	0	10	BJAE	
CCCCC[C@H](C)Nc1cccc(OCCC)c1	36995348	JNUUHAJAMOGTGY-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CCc1ccc([C@@H](C)Nc2ccccc2C)s1	41202592	JQKFJHAFFAFFLJ-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CCC[C@H](N)c1cc(C)c(-c2ccccc2)s1	42734303	RBJSTJPJYAWAOS-ZDUSSCGKSA-N	245.391	4.523	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)[C@@H](C)[C@H](C)CC2	49829113	BGROVPPRKQTWNV-ZJUUUORDSA-N	237.774	4.544	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CCC(C)C)NC	71085341	QDXJXHZYGXTVCR-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(Cl)nc2c(Cl)ccc(Cl)c12	82788497	IIBDCTGHDTYDSM-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCCCC[C@@]1(N)CCC[C@@H](C(C)C)CC1	83437519	JAWUGLIXVPUGLE-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C[C@@H](C)CC)CC1	83520708	NNAFXUFWQFYDPT-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2ccc(Cl)cc2)C[C@@H]1C	84836879	LRKMPRDHNPLBDM-COPLHBTASA-N	237.774	4.577	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@H](NC(C)(C)CC(C)(C)C)C1	85098038	JJQUTBLQEWQVJP-MGPQQGTHSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CCC[C@@H]1Nc1ccc(C(C)(C)C)cc1	86669665	NWVVVQHFLBYHFL-WFASDCNBSA-N	231.383	4.585	0	10	BJAE	
CCC[C@H](C)CC1(O)CCC(C(C)(C)C)CC1	87164003	KFNXYDOAUHCOED-HLIUYOAVSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](CC)(CNCC)C(CC)CC	87172806	DFTDWUHCAGDWQJ-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@H](N)CCCC2	88872902	ZMWCLZWLHCNXQY-QGZVFWFLSA-N	245.410	4.660	0	10	BJAE	
Cc1cccc(NC[C@H]2CCC[C@@H](C)C2)c1C	89604461	DDNILVCIYVZSLT-DOMZBBRYSA-N	231.383	4.542	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)CC(C)C)cc1	90482189	AAGRPBRTDXTRQU-UHFFFAOYSA-N	232.367	4.603	0	10	BJAE	
CCCN[C@H](C=C(C)C)C1CCC(C)(C)CC1	92116886	IYWGVAVMSNMPQW-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1c2ccccc2[C@H](CC(C)C)[C@@H]1C	94065272	UZRNJHDHYRBASR-XKQJLSEDSA-N	245.410	4.507	0	10	BJAE	
CCC(CC)C1(CO)CCC(C(C)(C)C)CC1	94679447	BRMJFSURJDVSTC-UHFFFAOYSA-N	240.431	4.638	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1ccc2ccccc2c1	109742445	LFGYRPWAUYUSAV-SUMWQHHRSA-N	241.378	4.666	0	10	BJAE	
CC(C)(C)C[C@H](N[C@H]1CC1(C)C)c1ccccc1	109942535	ZIDAXSBDXLFFMP-GJZGRUSLSA-N	245.410	4.552	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1ccc(C(C)(C)C)cc1	110202937	XKJBZAZQQBYRRR-HNNXBMFYSA-N	247.426	4.681	0	10	BJAE	
CCCCC1CCC([C@@H](N)c2ccc(C)o2)CC1	110226718	LFPVZOFGMPLNLX-ZBCRRDGASA-N	249.398	4.584	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](CC)CC[C@@H]1NCC	110446013	CLNQNVUFNQWVKG-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](N)C12CC3CC(CC(C3)C1)C2	112897987	CKCZNRPQCMHGKN-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Oc2ccc3[nH]ccc3c2)C1	126527752	LOQQTNXKFIGVEE-TZMCWYRMSA-N	243.350	4.516	0	10	BJAE	
CC(C)C[C@H](C)N[C@H]1CC[C@@H](C)c2ccccc21	136957602	CESNRDXOQKNMMB-KEYYUXOJSA-N	245.410	4.649	0	10	BJAE	
Clc1nccc2c(-c3ccccc3)cccc12	137702638	MXPGFQCSZJTVOB-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CCC(CC)C[C@H](O)c1cc2cc(C)ccc2o1	139141221	FKEQZITWUFNCKO-AWEZNQCLSA-N	246.350	4.601	0	10	BJAE	
CCC(CC)CCC[C@@H](NC)c1ccccc1	149450236	OFKISZDWSFCSPT-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC(C)(C)C[C@@H]2C)cc1C	155817266	AQEOZGDCJYZSLJ-GOEBONIOSA-N	245.410	4.930	0	10	BJAE	
CC1([C@@H](O)c2ccc(C3CCC3)cc2)CCCC1	159282952	OUYXJNDWZLEFTK-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
Cc1ccc(C(=O)CC2CCCCCC2)cc1C	161877080	IQNORKRWIFKUDC-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CCCNC[C@@H](C1CCCCCC1)C(C)(C)C	162339355	UESVWXAQZCFPPP-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C(=O)CCC(C)(C)C)c1ccccc1	165209011	VXBQYGFDWITMRT-AWEZNQCLSA-N	232.367	4.576	0	10	BJAE	
CC(C)(F)C1(c2ccccc2)CCCCC1	220340225	YNYVHSRRPQGKSY-UHFFFAOYSA-N	220.331	4.637	0	10	BJAE	
C[C@@H]1CCC[C@H](S[C@H](C)c2ccc(N)cc2)C1	226910296	VAXYNJMBCHAZTD-JMSVASOKSA-N	249.423	4.642	0	10	BJAE	
Cc1ccc(O)c(-c2ccccc2C2CCC2)c1	229656274	VEJQJWPRAYRRQR-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
C[C@@H](CC1CC1)Nc1cc(Cl)cc(Cl)c1	229669036	NMQBUWBKKVTKLI-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H](c1ccccc1)[C@@H](C)CC	233325914	AJQISFKUFRIGCG-OFQRWUPVSA-N	246.394	4.822	0	10	BJAE	
CCC[C@H](C)[C@H]1CNc2ccc(C(C)(C)C)cc21	233339171	RSTZBTDAUOVJFM-SWLSCSKDSA-N	245.410	4.929	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(O)CCC[C@@H](C)CC2)C1	251548108	AZIVHRSJNBSUQT-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCC[C@H](C(C)C)C1	300316065	NEISFCMAUDYTEI-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C[C@H](C)CC	300807920	FMOZLKZBDZQRPC-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1(C)CCCCC1	300834877	IWTMDPAUMYWBOF-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC(C)(C)CC2)c1F	302290368	KMZYIMBXKROTAD-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
Clc1ccccc1O[C@H]1/C=C/CCCCC1	304162487	CCIWOYLSRUFMKZ-GXWOQWCDSA-N	236.742	4.608	0	10	BJAE	
CC(C)C[C@@H](C)CCC[C@@H](N)c1ccccc1	305902318	BMKRMLJJDDYYOO-GOEBONIOSA-N	233.399	4.539	0	10	BJAE	
CSCc1c(Cl)cc(Cl)cc1Cl	306442977	PUXZWLYGFJHJNR-UHFFFAOYSA-N	241.570	4.510	0	10	BJAE	
CCc1cc(CC)c2scc(Cl)c2c1	307574827	IGXGJSMZHURPSX-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCCCC[C@H](NC)[C@H](CCC)CC(C)C	308042742	CZQPNTJZEQGDEI-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](NC)c1ccc(C)cc1C	308079755	PQAIMTNXSBBJIN-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
C/C(=C\CCNC(C)C)CCC1CCCCC1	310059117	HHGXILIIXXWPMW-OVCLIPMQSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C[C@@H](C)C(C)(C)C)C1	310110041	FCWCWWOARKYCAH-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)C1(CCC)CC1	310408491	WDROUBDTBUZHGT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](NCCC)C1(CCC)CC1	310414723	XNVMOECSGVCKOZ-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCc1ccccc1C(=O)C[C@@H]1CCC[C@@H](C)C1	310726602	ACLVPPCHKABMDV-ZIAGYGMSSA-N	244.378	4.648	0	10	BJAE	
CCCC1CCC([C@H](O)[C@@H](C)[C@H](C)CC)CC1	318701698	DPDVTJABGLFCHH-AKZYDZMLSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@@H](C)[C@H](C)CC)CC1	318864983	JEGNMUBBNXBWMU-QKPAOTATSA-N	240.431	4.780	0	10	BJAE	
CCCCC1CCC([C@@H](N)[C@@H](C)C(C)C)CC1	319691163	WLYARABCDUMREA-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)[C@H](CC/C=C\c1ccccc1)NC	324102541	CUZPEGDEGSFSSJ-OVHOFWQVSA-N	245.410	4.504	0	10	BJAE	
CCc1cccc(N[C@H]2CCCC23CCCC3)c1	328078364	GEPNWZJZZSFQJZ-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CCC1CCC(N[C@@H]2CCCC23CCCC3)CC1	328110261	NVFPHPWCJRLXCF-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CCC[C@@H]2C[C@H]21	381092943	NDZGASOFDJYQPF-UMVBOHGHSA-N	243.394	4.585	0	10	BJAE	
CCCNCCC(C)(C)C[C@H]1CCC[C@H](C)C1	383956714	XAFSDIPIUVWZKH-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCC/C=C(/CCC)CNc1ccccc1	384196569	XPDFKSJDZBYTFC-UVTDQMKNSA-N	217.356	4.625	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@H]1CCC[C@@H]1C	384856222	MZLKNTDNNYJWKY-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(NCCC2=CCCCC2)cc1C	385106421	BZWJTHFTFJMWFL-UHFFFAOYSA-N	243.394	4.860	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C(C(C)C)C(C)C	385391131	GYQPFLLERTUVIE-KRWDZBQOSA-N	247.426	4.656	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1Cl)C1CCC1	393638484	ODXLTNLUBDZYIW-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
CCCCC[C@H](NCC)c1ccccc1CCC	395042134	JTCOPBLTZPGIHU-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CCC(CC)(CC)[C@H](O)[C@@H]1CC[C@H](C)[C@H](C)C1	395121917	LGZCMCLDHWOSEW-GBJTYRQASA-N	240.431	4.636	0	10	BJAE	
COc1cc(Cl)c2sccc2c1C(F)F	396297034	WFMAIXVUQBPSNS-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CC=CCC2)CC[C@H](C)C1	402260940	RVMDNFKBWBLKID-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2CC=CCC2)CCC[C@@H]1C	402400763	OMYGSPUEORQXEO-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](Nc1ccc2c(c1)CCCC2)C1CC1	404631060	GUPIHDNFZAJDFJ-KRWDZBQOSA-N	243.394	4.556	0	10	BJAE	
Cc1c(Cl)ccc2c3c([nH]c12)[C@@H](C)CCC3	527404771	NBLCOVMSLTVUNZ-QMMMGPOBSA-N	233.742	4.570	0	10	BJAE	
CN[C@H](CCCC1CCC1)c1cccc(C)c1C	688358426	KMMUQMANQLLYCR-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC(C)c1cccc([C@H](N)C2(C)CCCCC2)c1	688935811	JXUVKMNQWAZIDP-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H](C)c1ccccc1	691134585	KNQGTSUGQFAAMI-ZMSDIMECSA-N	245.410	4.696	0	10	BJAE	
c1ccc2cc(N[C@@]34CCCC[C@H]3C4)ccc2c1	693160284	GALQJAUNEGIHNB-DOTOQJQBSA-N	237.346	4.584	0	10	BJAE	
CC(C)CC[C@H](N[C@@H]1CCC12CCCC2)C1CC1	693792251	CYHZOHIICKNLGU-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)[C@H]1CCCC2(CC2)C1	695944027	IRDFMTTZCHPRKW-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@H]1CC[C@H](CC)CC1	696571677	JTIBCWXYNZYIGR-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CCC(=O)c1c(C)cccc1C	696671808	IWQKMACKGLBYTG-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1O	696782700	PQDANMZCAMVGAF-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C/C=C1\CCC[C@@H]1[C@H]1CCCCN1	696800839	FDAKKVRRGQFTRO-QNHDLBPPSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@H]2CCC[C@@H](C)C2)c1	701578417	QDHHDDGZGZRLLD-KMFMINBZSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](CCC=C(C)C)NC)C1	704894053	RRBPAJSKLQYILQ-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NCC[C@H]2CC=CCC2)C1	706867303	GWTOGLIXNFUNFJ-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H](C)C2(C)CC2)CC1	706953780	BMZDPBLXCUQIQO-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CC[C@H]3CCC[C@@H]32)CC1	707841568	AESULTILUIOQGX-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](c1cc(C)c(C)cc1C)[C@H](C)CC(C)C	708297788	PGKFDPBMDQOLOQ-NVXWUHKLSA-N	247.426	4.555	0	10	BJAE	
C[C@H](CCC[C@@H](O)c1ccccc1)CC(C)(C)C	709097372	NJRDYECWNPGZNH-GDBMZVCRSA-N	248.410	4.963	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@@H](C)CC(C)(C)C)C1	709258418	JHIAZUORIINMNW-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(N)[C@@]23CCCC[C@@H]2C3)C1	709275389	KIJLEZONTXYHPY-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(O)C[C@H](C)C(C)(C)C)c1	710795243	ARJDLZVLSPTYNX-YOEHRIQHSA-N	248.410	4.583	0	10	BJAE	
CC(C)CNC[C@H](C[C@H](C)C(C)(C)C)C(C)C	711171985	HMYAZSBSEJHGFY-GJZGRUSLSA-N	241.463	4.577	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@H](C)C(C)(C)C	711180102	BEXZUFXUHPMIKC-GOEBONIOSA-N	241.463	4.865	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CC[C@@H]3CCCC[C@H]3N2)C1	712298682	HIOMQOFRUGDPBJ-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)CC(C)(C)C(C)C	713223738	WSHWXHHWGIXUIN-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@]1(N)CCCCCC1(C)C	719230894	UMABNDQNIRPPKJ-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2CC(C)(C)C2)CC1	723562597	MLDHLNXELGOMLG-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1ccc(C)c(C)c1	1620732289	KQJUNOMFSVCNCO-YOEHRIQHSA-N	243.394	4.708	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCCCC1CC1	1900580540	ODKOGLGYIVGBOI-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)Cc1ccc(C2CCCC2)cc1	1901921232	LNKVRUYTJHAFOZ-UHFFFAOYSA-N	216.368	4.933	0	10	BJAE	
CC(C)C(=CC1(C)CCCC1)CNC(C)(C)C	1912003720	QDIVRAONOUBCBT-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
N[C@]1(C2CCCCCC2)CCC2(CCCCC2)C1	1915894363	VFLRETPTOUHNGA-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H]1CCC[C@H](CC)C1	1919973526	IGHFGQAYCSZGAE-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)C1CC(CC)C1	1921295494	DECZFBZHXASWPL-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC12CCC2)c1ccsc1	1921491934	SDOSWYHTAIEGAN-ZIAGYGMSSA-N	249.423	4.512	0	10	BJAE	
CC(C)=C(C)CCc1nc2ccccc2s1	1922152322	IFTOWCMMDHDZOT-UHFFFAOYSA-N	231.364	4.585	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@H](C)C1CCCC1	1924138162	HERQHGSLMYZNJT-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)C[C@H]1C=CCCCC1	1925947192	YWOSPLDPNFHBSR-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C[C@H]2C=CCCC2)cc1Cl	1932606979	NBFIQVIZKQNQMO-LBPRGKRZSA-N	220.743	4.547	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CC1(C)CCCCC1	1935622321	FTCSPFOGTMSMIC-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H](C)CC(C)(C)C	1937162778	DDXNOAZYYMLBKB-STQMWFEESA-N	226.404	4.700	0	10	BJAE	
CCCC[C@H](CC[C@H](C)CC(C)(C)C)NC	1939121631	CQSZIPYYCXVXPX-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC1(C(=O)C[C@H](C)CC(C)(C)C)CCC1	1940117619	MMDASTKEXOBPFO-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)[C@@H](C)C(C)C	1940414370	IRZWTDJJBAEKTL-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC1(C)CCCCC1)C1CCCC1	1940414556	JLWLKTJCRRXWAC-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)CC[C@H]1CCCC1(F)F	1940729137	GEOIKTBSRCVPOL-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](N)CCCC1(C)CC1	1941263626	DFBCSYNSFGDQHR-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NC)C1CCCCCC1	1941263679	PDFIHMXYTRUOSI-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)CC(C)(C)C(C)(F)F)C(C)C	1941269069	MGFOZDTTYVQKNX-NSHDSACASA-N	248.357	4.699	0	10	BJAE	
CCC[C@H](NC[C@@H](CC)C(C)C)C1CCCC1	1941929906	VFODGLOCTQNNMQ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)ccc1NC1CC(C2CCC2)C1	1942145846	MIBQEMYKFXCYSW-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1CC(C(=O)CCCC(C)(C)C)C[C@@H](C)C1	1943046658	LVPWIYDORUSDBJ-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H]1CCC[C@H]1C	1944799451	NTTBCIXRNKQBNS-QLFBSQMISA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC1(C)CCCCC1	1947462790	NXHUBTNZLKIZBO-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1nc(C[C@@H]2C=CCCC2)sc1C(C)(C)C	1947565684	QYDZLBYMLRBYOT-GFCCVEGCSA-N	249.423	4.648	0	10	BJAE	
NC1(CCC2CCC2)CCCCCCCCC1	1947878151	FCWQCVHRYZHXCC-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CCC[C@H]1C[C@H]1NC1CCCCCCCCC1	1947879512	CCAGMXQUEXOSBN-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
C[C@@H](CC1(N)CCCCCCCCC1)C1CC1	1949067133	XEWGPUVYBLUVOP-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@](C)(N)c1csc2ccccc12	1949075773	LKQBGKYLBCJPDD-HNNXBMFYSA-N	247.407	4.656	0	10	BJAE	
CCCN[C@H](C)c1ccc(C2=CCCCC2)s1	1950546124	YALXPXPOQSGGJH-GFCCVEGCSA-N	249.423	4.766	0	10	BJAE	
CC(C)[C@@]1(CNC(C)(C)C)CCC[C@@H](C)CC1	1950926033	YWLXTCKSVOFAJE-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCCC(C)C)cc1C	1968255369	WEMWMBGBNLCMQR-HNNXBMFYSA-N	233.399	4.930	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H](C)C(C)C	1968597497	MOAZREPABSPNFU-ZDUSSCGKSA-N	219.372	4.575	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@H](C)C1	1968597652	NYVCZTGNDROAHC-SWLSCSKDSA-N	231.383	4.719	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1CC(CC)(CC)C1	1968859246	MAVFAPUMCQULOH-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](NC[C@@H](CC)C(C)C)c1ccc(C)cc1	1973382988	AXOUEGFUUITGDJ-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[Si](C)(C)C	1978664342	OBBWJNDHZKVKOP-CQSZACIVSA-N	243.511	4.521	0	10	BJAE	
CCCCN(CCCC)CCC(C)=C(C)C	1978897845	HFCLFTRKRATEJS-UHFFFAOYSA-N	225.420	4.635	0	10	BJAE	
CC(C)CCCC1(O)CCCCCCCC1	1980350989	KUAKGAFEPVNRSF-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CCCCC1(C)C	1984590349	ATHOKHTXFGQITM-MUBLQREKSA-N	222.372	4.518	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CC(C)(C)CC	1986966325	CQENJEQAVSXSKI-CQSZACIVSA-N	227.436	4.569	0	10	BJAE	
CCCC(CCC)[C@H](O)c1cc(C)c(C)s1	1989985458	WKSRICUZUKZXLX-AWEZNQCLSA-N	240.412	4.615	0	10	BJAE	
CCCC[C@H](CCC1(CCC)CC1)NCC	1990632838	INHIULAOBMRSBO-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC=C(CC)C[C@H](NCCC)c1cccs1	1992056131	FWRHKPONETYGMT-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
CC1(c2cc3cc(F)ccc3[nH]2)CCCCC1	1995981590	VHEYTICPZQRQHF-UHFFFAOYSA-N	231.314	4.529	0	10	BJAE	
CC[C@@H](Nc1ccccc1SC1CC1)C1CC1	1996548167	JJJZLRJGCDKVBM-CYBMUJFWSA-N	247.407	4.542	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(O)C1CCC(C)CC1	1996549220	UUGLNEWGQYBLBV-AVVWSFFYSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](C)C1CCC(C)CC1	1996552701	COWGYRKQMVGCJT-JICUYRHDSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)C2CCCCC2)CC1	1997116484	KZPSCINYPBJZEE-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCSc1ccccc1NC[C@@H]1[C@@H](C)[C@H]1C	1998556857	RCTMPYLLYKPIJK-ITGUQSILSA-N	249.423	4.503	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@@H](C)CC(C)C	2000306581	CSSKJQLTUIOTIJ-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C)[C@@H]1CCCCC12CCCCC2	2001578083	JHOLNIXYGSZDNP-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC1(CCCC2(O)CCCCCCCC2)CC1	2003112826	YFQYDOGDEYBVSH-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CC1(C)CCCC1	2003174974	IKUJOSKWELJZBY-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CCC1(C)CCC(NCCC2CCCC2)CC1	2004340723	CVPHYJNLJMJTSX-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@H]1[C@@H](C)CNC1(CC)CC	2004706641	OZYHZWHFDFKEHG-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCC12CCCC2	2004712917	VOBCLTOOKGEAFU-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(C(=O)CC2=CCCC2)CCCCCCC1	2004942286	QXIOOBUZFHVKQG-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCCC[C@@]1(CNC(C)C)CCCCC12CC2	2005561640	RRAUSLSTJBTJGX-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CCC(C)(C)C)[C@@H]1C	2006977654	DNUMAZDYTYYIEJ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCCC[C@H]1Nc1ccc(CF)cc1	2007030094	ZSVVUYIAUQLVQJ-SWLSCSKDSA-N	235.346	4.537	0	10	BJAE	
CCCC[C@](C)(CNCC)CC1CC(CC)C1	2007754273	NDJYYFGWKXUCSE-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@](C)(O)CC1CC(C2CCC2)C1	2007764648	XUWFDZLEPSNKLB-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1CC(CC(=O)C2CCCCCC2)C1	2007767303	JMAQFXFMDSHVPN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@H](NCC)C1(CC(C)C)CCCC1	2007861218	LBMYVVIJMBXRPM-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)c1ccc(C)s1	2007944807	HZELFNCKZGPPMI-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
C/C=C/CCC[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2009570441	BDQMLXRBGRIFNF-QNQFUXMYSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](CCC)CC[C@H]1CN	2009610343	GBVQXVXSKNKLEN-WQHDIMKJSA-N	237.431	4.524	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@@H]1C1CCCCCC1	2009768325	CATWWIHPYYLYMK-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CCC(C)(C)C)NC)CC1	2010711684	CIIRFDXJMCBYGK-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011976735	PWXBNNIZFNRQSC-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CCC(C)C)[C@@H]1CC[C@@H](C)[C@H](C)C1	2013275309	ZQKHAMYLJPZNCV-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CCC1CCCC1	2013310049	VWICMQHLMVKSIC-INIZCTEOSA-N	239.447	4.713	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1C(C)=CCC[C@H]1C	2013536036	TWILAYULFRHGMX-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CCNCCC(C(C)C)C(C)C	2015343967	HUXFWMGFTINVGC-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CC(C)C(CC[C@@H](N)C(C)(C)C(C)C)C(C)C	2015356219	FQKOQYZLKCEBCI-OAHLLOKOSA-N	241.463	4.704	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)C[C@H]1CC[C@H](C)CC1	2017721865	CGHTXFKEFGFSDR-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC[C@H](C)CC1)[C@@H](C)CC	2017723541	UKWJNJIYXRECEU-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@H](N)C[C@@H](C)CC)CC1	2017728609	NLXOTQIYOKEBMV-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)C[C@H]1CC[C@H](C)CC1	2017729466	XATLLRKHMGRDJH-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCCC[C@@H]1CC	2018083368	NWUMJUHMQLRPOB-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2C[C@@H]3CC[C@@H]3C2)n1	2022190353	WMOHLSCQVAVUJE-GDNZZTSVSA-N	249.423	4.734	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(O)CCCC(C)(C)CC1	2022449514	XRTKBIVNXNSKTM-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)C(CC[C@H]1C(=O)CCC[C@H]1C)C(C)C	2024612074	BQMCDRYPOBJWNU-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@H](C(C)C)C1	2025621969	OXQZCIJIWYIJFD-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C(C)C)[C@H](NC)c1c(C)cc(C)cc1C	2028251124	CVDYDJAWLBEQSY-WBVHZDCISA-N	247.426	4.555	0	10	BJAE	
CC[C@@H](C[C@@H](O)C=Cc1ccccc1)C(C)(C)C	2028588403	NYKFJXZQYFHNBQ-HOTGVXAUSA-N	246.394	4.523	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)CC1=CCCC1	2028925602	BBQRHWPQIMZAPF-UHFFFAOYSA-N	242.362	4.568	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](N)(CC2(C)CCCC2)C1	2030280199	VQPPXAABIUNWHU-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)[C@@H](N)C[C@H](CC)CC2	2034172975	QOMNYOUFYGGYRV-AHIWAGSCSA-N	245.410	4.562	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)c1cccc(C(C)C)c1	2035416276	ZFQOKTWICAWLGG-RDJZCZTQSA-N	245.410	4.564	0	10	BJAE	
CCc1cccc(CC)c1NC[C@H]1C=CCCC1	2035602826	XMAXWXKVKZTIEK-AWEZNQCLSA-N	243.394	4.580	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@H]1CCCC[C@H]1C	2037050527	AEOALBOLUDQBQZ-KMFMINBZSA-N	245.410	4.636	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1ccc(CC(C)C)cc1	2037096462	FBONPERYMLQWJB-YOEHRIQHSA-N	247.426	4.711	0	10	BJAE	
O=C(CC[C@@H]1CC[C@@H]2C[C@H]2C1)CC1CCCCC1	2038176667	WOYBXXPCNDXWDD-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2CC23CCCCC3)CC1	2039010590	ABKGTQLPXQAHAF-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2CC=CCC2)CC1	2039380230	HBGZXVKZOMFGQW-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
C[C@H](NCCCCCC1CC1)C12CCC(CC1)C2	2039847117	BHSFMWXSSZOOOV-OOHWJJMZSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@H]1CC[C@H](C)C1	2040141747	KQKXURFQGCCVEH-UONOGXRCSA-N	244.378	4.819	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1ccc2ccccc2c1	2040723189	GYGGEKLZFMIMRY-INIZCTEOSA-N	242.362	4.700	0	10	BJAE	
CCC[C@H](NC[C@@]1(C)CC=CCC1)[C@H]1CC1(C)C	2042073539	AVRONXDYUXJWDD-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(N)CCC[C@@H](C3CC3)C2)C1	2045400548	NKRYUZHBPANNCP-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](NC)[C@@H](c1ccccc1)C(C)C	2045742242	YRWGJHOOJNNHSE-DLBZAZTESA-N	247.426	4.595	0	10	BJAE	
CCCC[C@@H](NCC)c1c(C)oc2ccccc12	2045806621	MKYPJQUZJNDJFU-CQSZACIVSA-N	245.366	4.582	0	10	BJAE	
CC(C)[C@@]1(C)C[C@@H]1NC1CC2(CCCCCC2)C1	2046234859	GRJOZGRICVGVNT-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C1CC1)[C@H]1CCCC2(CCCCC2)C1	2048128893	WSLIKLQEMOBCKC-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](C[C@@H]2[C@H]3CCCC[C@H]32)C1	2048469067	QXSZBDNYAMGICV-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CCCC3(CC3)C2)CCCC1	2049859192	QELCGELRXSGMCT-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(C[C@H]1CCCC2(CC2)C1)[C@@H]1CC1(C)C	2049862060	FAGZEGLJUZNGLI-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCCC1CC1)C1(C2CCC2)CC1	2051910686	ISSQJBZCQWULEU-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@H](C)C2(C)CCC2)c1	2052332373	SKWIGTSOECQMCY-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](N)[C@H]2CCCCC23CCC3)C1	2053412304	ONQHZXFNWQTDII-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]([C@@]2(CN)CCCCC23CCC3)C1	2053413020	VBWNKIQOZNQBGH-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CC(C)NC[C@H](C1=CCCCC1)[C@@H]1CCC[C@H]1C	2055271233	RSEFUWBKKIJFLF-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1C=C(C)CCC1	2055547696	VSNIFZZFTDSQPZ-DLBZAZTESA-N	249.442	4.824	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)CC1CC(C2CCC2)C1	2056665964	KPHABCFNPQSGGK-ZALBZXLWSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)C1(C)C(C)(C)C1(C)C	2056869959	GKXNYYDMURNKDB-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C=C2CCCCC2)CC1	2056872397	CHPZJTILTZGYAN-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C=C1CCCC1)C1(C)CCC(C)CC1	2056875953	LUTPOGPOVNSTIV-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(OC[C@@H]2C[C@@H]3CCC[C@@H]3C2)c(C)c1	2063536029	OJKRTELUZSDYBT-MUJYYYPQSA-N	244.378	4.509	0	10	BJAE	
C=CC=CCC[C@H]1C[C@H](NCCC)CC(C)(C)C1	2063635746	JWFLRVMMAYCJGQ-HOTGVXAUSA-N	249.442	4.703	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC(C)=C1C)c1occc1C	2063681945	VASSTIIDOODKOI-LSDHHAIUSA-N	247.382	4.518	0	10	BJAE	
CCC[C@@H](NCC12CCCC1CCC2)C1CCC1	2063904939	DFBWAYYXCSAFAW-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N(C)C[C@H]1C=CCCCC1)C1(C)CCCC1	2067600097	BSUZQIVDSMLGGA-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)[C@@H](NC2CC(CC(C)(C)C)C2)CCC1	2067967334	ZWHJQRUUTOWALD-GPANFISMSA-N	249.442	4.680	0	10	BJAE	
CC(C)=CCC[C@](C)(N)c1cc(C)c(C)cc1C	2070294873	LUCYLEOSCCTFBR-KRWDZBQOSA-N	245.410	4.532	0	10	BJAE	
CCNCC1(C[C@@]23CCC[C@H]2C3)CCCCCC1	2070961631	DNNQMFVAFVAJIS-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@@H]1C[C@H]1CC	2071510625	JRGMTUCISDKUHH-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)C[C@H]3CCCC[C@H]32)CCC1	2071941117	PZRGIZKLHMQBTL-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
C[C@@](O)(CC[C@H]1CC[C@H](C)CC1)c1ccccc1	2072775247	MKUCQCARXTXXMO-BFYDXBDKSA-N	246.394	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)C[C@H]2CC[C@H](C)CC2)C1	2072792851	DVXWUZOZOXFAMU-PTTAZLHSSA-N	249.442	4.523	0	10	BJAE	
CCC1CCC(CC2(N)C[C@H]3CCC[C@@H]3C2)CC1	2072803375	HMXGYTAUQQHAQR-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CCC(=O)c2ccco2)CC1	2072876949	CINLCJIQIZIPFN-UHFFFAOYSA-N	248.366	4.849	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2C[C@@H]3CCCC[C@@H]3C2=O)CC1	2072879371	TZVQOFOESMOBQX-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cccc(C2CC2)n1	2073294328	NAHRTXAWYZLDJA-CQSZACIVSA-N	246.398	4.730	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@]12CCCC[C@@H]1C2	2074032459	FPSRZUJUGMXKPK-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N(C)CCC2=CCCCC2)C1	2075151434	IBVQJVJARQKTGV-QLPKVWCKSA-N	249.442	4.633	0	10	BJAE	
CNC[C@]1([C@H]2C=CCCCC2)CCCC(C)(C)C1	2075373864	SIJBNEPLJNQLJW-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC=C(CC)[C@H](C[C@H](C)c1ccccc1)NCC	2077197640	SKTGFXAWTKTKMX-YOEHRIQHSA-N	245.410	4.515	0	10	BJAE	
CC(C)C1(CNc2ccccc2C2CCC2)CC1	2077265272	OCEICFNWPFQEEN-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1C[C@@H]1CC(=O)C[C@H]1C[C@H]1C1CCCCCC1	2079862650	IYZVOCMCBOGCHY-UTXMOHQDSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C[C@@]1(N)CCCCC12CCCC2	2079870870	ONRLMRYWTPNMTI-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CC[C@@H]2C[C@H]2C1	2081788065	HUUBYJLMCDVFEP-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](C)C1CC(C)(C)C1	2081954097	ASMMMHZWOCGEBT-LLVKDONJSA-N	249.373	4.625	0	10	BJAE	
CC=C(CC)c1cc([C@@H](C)NCCC)ccc1C	2084697685	OZACETXLZKASHK-CQSZACIVSA-N	245.410	4.869	0	10	BJAE	
CCC[C@H](C)C[C@H](CCC)CN[C@@H](C)CC	2212588769	NMONJOBCVZATEK-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213285597	RSASOPHUKDGRKX-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)CCC(C)C	2213574348	SBGHFTHNCGISNY-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CC[C@@H]1C[C@@H]1C	2215345001	GXDYAJSPCFZITE-CMPLNLGQSA-N	247.769	4.649	0	10	BJAE	
CCCCC[C@](O)(CC)CC1(C)CC(C)(C)C1	2215461864	UUDJOSILHZQXGI-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)C1C[C@H]2CCC[C@H](C1)C2	2218333650	RQCAEPZVPPNQAE-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218337883	ZZLMVHKQNRCWOE-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
N[C@@]1(CCCCC2CC2)CCCCC12CCCC2	2220026644	AIAFTWALAPNXSX-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1cccc(C2(C)CC2)c1	2220926315	UNNCUKGHUYQZPB-KBPBESRZSA-N	243.394	4.586	0	10	BJAE	
CC[C@@H]1C[C@H]1CCN(CC(C)C)c1ccccc1	2220986004	PGXIIODIPVBXQK-HZPDHXFCSA-N	245.410	4.585	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1CC1(C)CC2(CCC2)C1	2221040338	NUIWKVYENKIIKY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)C1	2221083381	IQLWRBIQPTUKQK-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC=CCCCc1c(C)sc(C)c1C	2241538142	VPBHIMYZYTWWTE-UHFFFAOYSA-N	208.370	4.572	0	10	BJAE	
CCC[C@](N)(CC)CC[C@@H]1CCC[C@@H](C)C1	2242814765	BNMFPQIYLSATRD-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](CCCC(C)C)NCC	2244779543	DNNGGAHQIRGNOG-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCC(=O)CCC1CC(CC(C)(C)C)C1	2245387367	ZKKFIRBAGUQFAU-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@@H]1CCCCC12CC2	2246603077	OTPWQQKJYYVGNQ-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)[C@H](CCCC[C@H]1C[C@H]1C)NCC	2247162955	DPOZSSQCRSEHEJ-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(N)CCCC[C@H]1C[C@H]1C	2247173886	DSURXSFZZRDRHQ-PMPSAXMXSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC(C)(C)C(F)(F)CC	2250368904	UBWACIYXDBSKIX-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
CCC[C@H](CC)[C@H](CCCCC(C)(F)F)NC	2250371712	MPXSYMNVXWGQIG-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H](CC)CNc1ccccc1C1CC1	2250382935	VSXSSAZYFFQZCR-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
CC1=CCC[C@]1(O)CC[C@H](C)CCCC(C)C	2250496061	OGCMBSGPCYHFLG-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
Nc1ccccc1C=CC[C@@H]1CCCCC12CC2	2253808905	PQABZPJIUIXWEL-HNNXBMFYSA-N	241.378	4.643	0	10	BJAE	
C[C@@H]1CC[C@H]([C@H](N)CC[C@@H]2CCCCC23CC3)C1	2253861620	FSBALEGDZHLIQY-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CCC12CCCCC2	2254593143	HPODMYDEPPTUMC-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
O=C(CC1=CCCCC1)[C@]12CCCC[C@@H]1CCC2	2255060951	BEGJGDGAGXQVHZ-WBVHZDCISA-N	246.394	4.807	0	10	BJAE	
Cc1ccc(OCC[C@H]2CCCC23CC3)c(C)c1	2255311078	PUWQEHWPLIQOTQ-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
Cc1ccc([C@@H](N)CCCCC[C@@H]2C[C@@H]2C)cc1	2257286797	CEPSNHCELSEVFI-UAGQMJEPSA-N	245.410	4.601	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC1(C2CCCC2)CC1	2257337177	DUGIJXIAIQVRSU-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCC=Cc1ccccc1	2259470354	JEGDHTZIQHCBGK-DLBZAZTESA-N	245.410	4.634	0	10	BJAE	
CC1CC2(C1)CC(C[C@]1(N)CCCCC[C@H]1C)C2	2259570271	AAYJIWPAQZKSMT-FGIFFFEVSA-N	249.442	4.501	0	10	BJAE	
CCCCN(C[C@]12CCC[C@@H]1CC2)C1CCCC1	2260574933	PXZIWAWOJJMRDN-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)CCC1CC(C)C1	2261491435	ZKFNJTONRDDXEN-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)[C@H](C)CC1CC1	2298858632	PXLYEYLORVAHJF-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1cccc(F)c1F	2300501155	KGAHAJSFXVKIJS-LLVKDONJSA-N	241.325	4.592	0	10	BJAE	
CC(C)CCC[C@](C)(N)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2300503392	LTFGVVMEVAUXCR-QXSJWSMHSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@H](CNC(C)C)CC(C)C	2300698886	CMKUGLMIXQGVKF-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CC(=CCN1CCCC[C@@H]1C)CCCC(C)C	2300884815	YATSUKIDAZAGLC-INIZCTEOSA-N	237.431	4.633	0	10	BJAE	
CCC1([C@@H](O)CC2CCCCCC2)CCCC1	2301202684	WRGGWJJNSNUMOO-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CC2CCCCCC2)CC1	2301242088	OWAQFJHXRBNAAX-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)n1ccc2c(F)cccc21	2301954288	YLDYPOJOMPJHAB-NWDGAFQWSA-N	233.330	4.634	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@@H](C)[C@H](C)C(C)C	2301962002	PMQKNSISJLOWPB-HUUCEWRRSA-N	239.447	4.639	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@H](C)C(C)(C)C)CC1	2303524621	SIPNGTHEWHATTO-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@@H](C)c1ccccc1	2307747548	QEVGKSVWVLGBDK-LSDHHAIUSA-N	233.399	4.506	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@H]1CCCC(C)(C)C1	2307832515	UBQJJTFBJFAFNR-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCC[C@@H]1C(C)C	2307841053	FHGSCJQCWFHRGB-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C[C@H]1CCCC12CC2	2307896038	XWOPSNIJBVGEBJ-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCC[C@H]1C(C)C	2307909924	WJFXXKZRIAXEKH-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309185200	SJTZDPIXZVMBKE-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@H]1C)c1ccc(C(C)C)cc1	2310790851	SOYKXHLZTYZEQH-COXVUDFISA-N	245.410	4.507	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCC[C@@H]3CC[C@@H]32)CC1	2311022768	PTIHNAJTWOESTM-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1ccc2[nH]ccc2c1	2313564353	RBNHUDJPZNRTIF-CYBMUJFWSA-N	244.382	4.795	0	10	BJAE	
CC(C)CCC[C@@](C)(N)c1ccccc1C(C)C	2315948824	BGBBPRIUUKXVOY-QGZVFWFLSA-N	247.426	4.810	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1C[C@H]1C1CCCCCC1	2316501700	GOUYAQJODMGWFL-HOTGVXAUSA-N	248.410	4.908	0	10	BJAE	
CC(=CCC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)CCCC(C)C	2316539110	ZLGJCIQMMFGSIP-OAGGEKHMSA-N	248.410	4.764	0	10	BJAE	
CC[C@H](N[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2316945185	DQDQFZBZFJLORD-HJWJTTGWSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@H]1CC12CCCC2	2317004848	QTDLXMFFXGWGJH-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1C[C@H]2C=C[C@H]1CCC2	2317126562	IFZIIIKFVLHCAJ-HZMVEIRTSA-N	249.442	4.536	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)c1ccc2c(c1)CC[C@@H](C)N2	2317950928	OIANMEMFXISQED-MCIONIFRSA-N	245.410	4.829	0	10	BJAE	
C[C@H]1[C@H](C2(N)CC3(CCCCCC3)C2)CC1(C)C	2318280477	RTVZQMKBSZTMQF-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C=C2CCC(C)(C)C[C@H]2CN)C1	2319109742	CXGLITMGBGLRJP-ZFWWWQNUSA-N	249.442	4.524	0	10	BJAE	
CC1=C(C)C[C@@H](NC2C(C)(C)CCC2(C)C)CC1	2320237625	LXBRJWQAQABNEL-AWEZNQCLSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H](N[C@H]1CCC(C)=C(C)C1)c1ccccc1	2320238654	XASNSHXUMIJPSR-DLBZAZTESA-N	243.394	4.616	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@]1(C)CC1(C)C	2320388803	UHIRPQMDCQZGNB-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CC(C)C1)C[C@@H]1CCC(C)=C(C)C1	2320423568	NANWONRLVRMJQB-IWPLNJTISA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c([C@](C)(N)CCC(C)C)c1	2327660585	PILGNNKJVJYYMR-QGZVFWFLSA-N	247.426	4.729	0	10	BJAE	
CCC[C@H](CC)C[C@H](F)c1cccc2c1NCC2	2328281403	HQXXUKGJRIZLDN-WFASDCNBSA-N	249.373	4.882	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@]12C=C[C@@H](CC1)C2	2328281979	LMEKUDVEFVPBMM-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1cc(C)cc(C)c1C	2328290247	DBPWXKLPBGUITK-RDJZCZTQSA-N	247.426	4.828	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)c2ccccc2C)c1	20021059	VRQMBSDVBPECCG-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCCCC[C@@H](N)c1ccc(C(C)(C)C)cc1	20481367	TXVMFLZNAQURJK-OAHLLOKOSA-N	233.399	4.564	0	10	BJAE	
CCCCc1ccc(NC2CCCCC2)cc1	20564769	LRNALUKZOFNGLZ-UHFFFAOYSA-N	231.383	4.774	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCCC)c1ccccc1	35575741	WVSBLCVLGAKUSA-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
CCCN[C@@H](C)c1sc2c(C)cccc2c1C	40996382	RAPXZMVDZRCWBF-LBPRGKRZSA-N	247.407	4.579	0	10	BJAE	
CCCN[C@@H](c1sccc1C)[C@H](C)CCC	42730283	LISQZEYJMRNTFS-DGCLKSJQSA-N	239.428	4.533	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2cc(-c3ccccc3)cnc21	49829053	NSQHAVYSBBHLSF-OLZOCXBDSA-N	237.346	4.749	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1cc(C)ccc1C	68860509	FXJHHNFOQAHFBS-WBVHZDCISA-N	248.410	4.943	0	10	BJAE	
Cc1cc(-c2cc(N)ccc2C)c(C)cc1Cl	70475972	WLVOZHGDXBBESF-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1ccc(CC)s1	71085881	VQNMBIPQNLHNKQ-BXUZGUMPSA-N	240.412	4.560	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@H](C)CCC	71127889	XBUOATNKYGDVOE-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
Cc1ccc([C@H](O)CCC(C)C)c2ccccc12	79905845	OZBQXGOTONXQPR-QGZVFWFLSA-N	242.362	4.618	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Oc1ccc(Cl)cc1	85150171	OFIRNDYBXYHSBH-RISCZKNCSA-N	238.758	4.688	0	10	BJAE	
CCCCC[C@@](C)(O)[C@@H]1CCCC[C@@H]1CC	87649042	FCABACLTKVRGQH-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](CC1CCCC1)Nc1ccc(Cl)cc1	90372104	OVMJIIFSRQOWHR-NSHDSACASA-N	237.774	4.721	0	10	BJAE	
CCCC[C@H](C)N[C@@H](CC)c1ccc(CC)cc1	103974876	RYCVZAJSKDHUIL-YOEHRIQHSA-N	247.426	4.868	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](CCC)CC[C@H]1NC	109664076	NWHWSOXQMHERKO-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1ccccc1C	109709209	QGACRIUKRCTQNE-CQSZACIVSA-N	232.367	4.784	0	10	BJAE	
CC(C)[C@@H](NCCC1CCCC1)c1ccccc1	109896531	GKGLDLGHYFXDTN-QGZVFWFLSA-N	245.410	4.554	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)c1ccc(C)cc1C	111647662	SDFWYVOCMUWMPM-GOEBONIOSA-N	247.426	4.636	0	10	BJAE	
O=C(CCc1ccccc1)C1CCCCCCC1	158837100	AVYRITMLGROJCG-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)c1sccc1C	164307980	FBTWMGJFRQSIAO-WCQYABFASA-N	239.428	4.533	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNCCCC2CCCC2)C1	225103606	VEOKIADTBIVOGF-PBHICJAKSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCCC2=CCCC2)CC1	228588408	MCNAXOKZLFBMAM-DOTOQJQBSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)(C)C)c1ccccc1C	229441857	UWFLYSVIRKVHCS-CZUORRHYSA-N	247.426	4.718	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cc(Cl)ccc1C	229616374	KQCKIYHSVLUZEZ-WCQYABFASA-N	237.774	4.639	0	10	BJAE	
CC1(C(=O)c2ccc(Cl)s2)CCCCC1	232832902	AMEWBCAZWFGQCG-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCCC[C@]1(CC)CNc2c(Cl)cccc21	232999235	VQQGINKLEREEGV-CQSZACIVSA-N	237.774	4.604	0	10	BJAE	
CCC[C@H](C)[C@@]1(O)CCCC[C@@H]1c1ccccc1	233343450	BNXOZBKABFYCCT-UAGQMJEPSA-N	246.394	4.512	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@H]1CCCC[C@@H]1C	251963075	VXDJJGDSZBLHEK-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC(C)(C)C[C@H]1C	300141223	RHCPGONZMDANLL-QLFBSQMISA-N	239.447	4.760	0	10	BJAE	
C/C(=C\C1CCCCCCC1)CNCC(C)C	302296061	MBYCNDPDRDTNOJ-RVDMUPIBSA-N	237.431	4.539	0	10	BJAE	
CCc1cc2ccc(CC)c(Cl)c2s1	306914890	SOTYOHOVPPNEEZ-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1cc(C)ccc1C	308100338	DJBABMNILKVHNF-CQSZACIVSA-N	232.367	4.558	0	10	BJAE	
CCN[C@H](C1CCCCC1)C(C)(C)C(C)(C)C	310566463	MBSDTRZLVUOMKQ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@H](O)C[C@@H]2CCC[C@H](C)C2)c(C)c1	310731706	DYMGLBIVKYJEAR-XGWLTEMNSA-N	246.394	4.553	0	10	BJAE	
CCN[C@@H](c1ccccc1CC)[C@@H](C)CC(C)C	310757076	NXUNPRBUAGOQME-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CCC[C@@H](N[C@H]1CC2CCC1CC2)C1CCCC1	313450205	VDUVOMUUWJOQCA-BNICSPFPSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](CNC(C)(C)C)CC(C)C	319433242	QFBADVDEEOBMTA-KKUMJFAQSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC12CCCC2)[C@H]1C[C@@H]1C	322157226	JIWCQMDGFCHOJB-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(OC[C@H](C)C2CCCCC2)c1	379921219	QQLFVXIPCYLCTJ-AWEZNQCLSA-N	232.367	4.590	0	10	BJAE	
CCCC[C@H](/C=C(\C)C[C@H]1CCCCN1)CC	382954276	UGIXZNDJKCWWJE-XRZYUTHKSA-N	237.431	4.681	0	10	BJAE	
CC1(CC(=O)c2csc3ccccc23)CCC1	383639089	ZCWXOOCEPXJGQD-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCC[C@](C)(CNCC)C[C@H]1CCC[C@H](C)C1	383899574	NLRAMDURJRDKEH-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H](C)c2ccccc2)C1	384781331	QCXPTVWJXUNBOA-IIAWOOMASA-N	244.378	4.576	0	10	BJAE	
CC/C=C/CN[C@@H](C)c1ccc(C(C)(C)C)cc1	385019164	OHELQJVTTVYSEF-NPQIQWPPSA-N	245.410	4.601	0	10	BJAE	
CC(C)(C)CCNc1cccc2ccsc12	386270854	ZGIFAGCXROCLLO-UHFFFAOYSA-N	233.380	4.749	0	10	BJAE	
Clc1sccc1N[C@@H]1C=CCCCCC1	387317255	BADUMUNAMKYMRT-SNVBAGLBSA-N	241.787	4.702	0	10	BJAE	
CCCC1(CNCCCCCC(C)C)CCC1	391955340	IGIFFNXUWIYQLM-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCc1cccc(N[C@@H](C)CCC(C)(C)C)c1	393879354	JUILQUQRHFNKAM-ZDUSSCGKSA-N	233.399	4.876	0	10	BJAE	
Cc1ccc(NCCCC2CCCCC2)c(F)c1	395171139	MOQKMZLBSQGLIR-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCc1cc(C)c2scc(C(F)F)c2c1	396223695	OFMBLZBKFOYBTG-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCOc1cc2ccc(C(F)F)c(C)c2s1	396248192	RBAVGVOSIOOCMR-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
C[C@@H](Nc1cccc2ccccc12)[C@@H]1CC1(C)C	397599779	LKHXRIYLODDILL-DOMZBBRYSA-N	239.362	4.686	0	10	BJAE	
CCC[C@@H](Nc1cccc(F)c1C)[C@@H]1CC1(C)C	397619059	DDRJZBRCEJNHBZ-SWLSCSKDSA-N	249.373	4.761	0	10	BJAE	
CCCc1ccc(N[C@H](CC)[C@H]2CC2(C)C)cc1	397647598	SOSQDCOVHDLVBJ-HZPDHXFCSA-N	245.410	4.876	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)CC1=CCCC1	401126231	QDVLNBSQDMTCOJ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C[C@H]1CC=CCC1	402346779	QEEGDYBPZBJPAH-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1	403350030	FLMFNKJLWCATHM-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCCC2CCC2)C1	688841193	YEFQDPLZAPSIBX-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCCC[C@H]1C	689757471	VORRRKWUHWYBLU-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCc1cc(NC2CCCCCC2)ccc1F	690083540	CWPHTMWFIQLYNC-UHFFFAOYSA-N	235.346	4.523	0	10	BJAE	
CCc1cc(NCCC(C)(C)C2CC2)ccc1F	690128802	WUUWILRICOVEGM-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
CC(C)(C)NCC1(CC2CCCCC2)CC=CC1	690472044	HSAIHQZOMXBKGL-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC1CCC(C)(C)CC1	695099931	QNMBYDJUBIWXOM-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](CNCC(C)C)C(C)C	696677686	KVBDLXHCZQUBDX-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCc2ccccc21	696761186	UZAOLUXVUGFRQH-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CCC(C)(C)C/C=C1/CCC[C@@H]1[C@@H]1CCCCN1	696800848	FDAKKVRRGQFTRO-WPTSLCKYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1[C@@H]2CCCCCC[C@H]2C12CCCCC2	701849473	MGPLJJNVEGWMSH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@H]1CCCC[C@H]1C	704806093	ZHCLIHUSSWWHAL-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCNCC(C)(C)C1=CCCC1	707425120	PPXPXYBPVCVCQK-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC1CCC(C)(C)CC1	709219244	JTSVCSKFJIXFQM-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](c1cccc(C(C)(C)C)c1)C(C)C	709510330	REQFZTZVAPIUDJ-MRXNPFEDSA-N	247.426	4.681	0	10	BJAE	
CCC[C@](N)(C[C@@H](C)C(C)(C)C)C(C)(C)C	710815411	WVEDAVJINCTSQY-DOMZBBRYSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)CCC(=O)Cc1cc(C)cc(C)c1	711281347	VVJBDXGSGCVHHO-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CCCN[C@H](C)[C@@H](CCC(C)(C)CC)C(C)C	711294617	QFPIEHMHTADBEG-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@H](CCC(C)C)C1CCCCC1	711312456	NDTWDOYECPKPCX-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@H](CC)c1ccccc1	713158416	FXXFJJNXTHTNAF-CVEARBPZSA-N	247.426	4.595	0	10	BJAE	
CC(C)C(C)(C)C[C@H](C)C(=O)c1ccccc1	713304122	HOOMUMWAHHFAEE-ZDUSSCGKSA-N	232.367	4.578	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](N[C@@H]2CC23CCC3)CC1	721180099	YNNJAJMFPUIXEH-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCC(CC)C[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	723607292	GIWUJMANHFTZAX-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCC1(C(=O)c2c(C)csc2C)CCCC1	724947059	VVUVSZAGMAABFS-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
COc1cc(NC2CCCCCCC2)ccc1C	821909754	SDLLTFAVZNSNEE-UHFFFAOYSA-N	247.382	4.528	0	10	BJAE	
C=C/C=C\CCSc1cccc(Cl)c1	1188718549	OKMXVIWWDHFJSG-ARJAWSKDSA-N	224.756	4.564	0	10	BJAE	
CC[C@@H](S[C@@H](C)C(C)C)c1ccccc1	1307309578	HLTGSXZEMISYCW-GXTWGEPZSA-N	222.397	4.915	0	10	BJAE	
C=C/C=C\CCS[C@H](C)c1ccc(F)cc1	1559365904	BJMCMTOLTFHIDD-QMAVJUDZSA-N	236.355	4.752	0	10	BJAE	
COc1ccc2cccc(C3(C)CCCC3)c2c1	1614662914	INLYCVBFQQBYAJ-UHFFFAOYSA-N	240.346	4.680	0	10	BJAE	
CCC(CC)CC[C@](N)(CC)C[C@H](C)CC	1900709313	JDHNGDMWUOYHQE-UKRRQHHQSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@H](CC[C@@H]1C[C@H]1C(C)(C)C)NCC	1910749732	WECUVIHUJVDYHN-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H]1C[C@H]1CCC	1910808645	ZLXHLTAUNHPQLM-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
NCC1(C2CCCCCC2)CC2(CCCCC2)C1	1912550745	IZNMCYQYEUOJGT-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
C[C@H](C[C@H](N)C1CC2(CCCCC2)C1)C1CCC1	1912606741	KMSSAUJXCVNFSE-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C2(N)CC3(CCCCC3)C2)C[C@H]1C	1912729507	SWIONGXDHZJEAY-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1CC1C[C@H]2C[C@@H]2C1	1913424596	VEIMCFWHMXHXCU-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CCC2(CCCC2)C1	1916426112	GUUUDJDKLAVAFH-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@]1(CNC(C)(C)C)C=CCCC1	1916569340	QLBODOVRYGGJHV-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)CC1[C@H]2CCCC[C@H]12	1919996465	VAZMQROTQWVACN-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@](C)(CCC(C)(C)C)C1CCCC1	1924118316	GZIZOVOTRRQRGY-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC1(C[C@@H]2[C@H](CN)CCCC23CCC3)CCCC1	1924835846	FZGYLCGVKDUTNQ-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@@]1(C)C[C@H]1C	1925785012	UAQWQTGKAXFQCO-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCN[C@H]1CC[C@H](C(C)C)CC1	1926134364	RCWQRDCIKLXRBA-WKILWMFISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CCCC2(C)CC2)C1	1940878297	VKHSBVPLINEOGI-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)CNCC1(C)CCCCCC1	1941357524	MKOBYRWFNMPQPS-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)CCCCCC1CC1	1941586986	OGWNPCYPWAUPCC-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@H](C)n1ccnc1-c1cccs1	1942660140	LHYUULCHXXWWQW-LBPRGKRZSA-N	248.395	4.609	0	10	BJAE	
CCCC(CCC)NC1CC(C2CCCC2)C1	1945945313	LRWBKWPXHDBWJY-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC)CCCC[C@H]1CC1(C)C	1948849081	QOSSUZHOAQCRKR-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1(CCC)CCC1	1948932662	PBEIZTHFTBFRHR-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
Oc1cccc(S[C@H]2CCC3(CCCC3)C2)c1	1949453563	RAHWJPHHFZYPFZ-AWEZNQCLSA-N	248.391	4.597	0	10	BJAE	
CCC1([C@@H](C[C@H](C)CC(C)(C)C)NC)CCC1	1951245448	SZKIIXUBXHNZKJ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc(-c2ccccc2Cl)n1	1968646300	XAZCSSWWJFHATE-PSASIEDQSA-N	249.766	4.587	0	10	BJAE	
CCC1(CN[C@@H]2CCCC3(CCCCC3)C2)CC1	1969492146	POHOAHPCYBPLII-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCC(C)(C)CN1CCC[C@@H](C(C)(C)C)CC1	1969637548	JTDAUCHLVODRNJ-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC[C@H]1C1CCCCC1)C1CC1	1969966232	RSVUXKDUQDUDIZ-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)C[C@@H](C)C(F)F	1971390307	VLGUHHZLXOYURS-AGIUHOORSA-N	249.389	4.615	0	10	BJAE	
CCCC(=O)[C@@H](CC)C1CCC(C)(C)CC1	1975957815	LSOOLZOOLBDKRX-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)C1(C)CCCC1	1987597789	BXVRWCUBHIRKAC-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCCC1(C[C@@H](N)CCC(C)(C)C)CCC1	1988460848	BPIZGCWVOMQAHL-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](CC)C(C)=O)CC1	1989836072	AKBPPFVYCLSSGC-KKUMJFAQSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CC)NCCCCC(C)C	1990093246	IZLOPFMDRUUKBV-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)C1CCCC1	1990093294	JMNPLSPRMDLVFI-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@](CC)(CN)CC1(CCC)CC1	1990628066	LMXFYNJIIMKGML-AWEZNQCLSA-N	225.420	4.502	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H](C)CCC(C)C	1990875626	PNBSFWRUBRHECG-CQSZACIVSA-N	227.436	4.569	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)C(C)(C)C(C)C	1993490454	CXFKFWOWZJNYGR-UHFFFAOYSA-N	238.758	4.513	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C1CCCCC1	1995252935	AYWJQARCGLVJFW-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@@H](C)[C@@H](C)CC	1995260810	YVOLCLNIMNWOKV-AJNGGQMLSA-N	228.420	4.636	0	10	BJAE	
CC[C@@](O)(CCC(C)=C(C)C)C1CCCCC1	1996546211	HSMNOWYPPRCUHW-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1C(C)=CCC[C@H]1C	2000385254	PHDFSGYNRWDCNY-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCCNCC(CC)(CC)[C@@H]1CCC[C@H](C)C1	2000499061	GUSNBFSADZYJRY-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CCC[C@@H]1CC1(C)C)CNC	2000513837	LPLMYMYZOZECHP-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CN)CC1CCC2(CC1)CC2	2003210322	CYLYSRXQOBHHSB-HNNXBMFYSA-N	237.431	4.502	0	10	BJAE	
CN[C@@H]1CCCCCCCC[C@@H]1CC=C(C)C	2004228275	OUCDWSYBJINDPF-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H](C)C1CCCC1	2004233523	YBUGPGAJTQQIMA-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC1CCC(C)(C(=O)[C@@H]2CCC(C)(C)C2)CC1	2007681953	SPKDGNUIBXTTTC-MFOWVQHXSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C)([C@@H](O)CCCC2CCC2)CC1	2007699699	YTPCCRDNWLZASJ-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C=C1CCCCC1	2007966291	CSWVZTJBPSLFDP-HZPDHXFCSA-N	235.415	4.565	0	10	BJAE	
CCC1CC(C[C@@H]2CCC(C)(C)CCC2=O)C1	2009403353	BHVKEJPXIPBSHK-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](N)[C@H](CCC2CCCCC2)CC1	2009417343	ASTLEPBKLCEJIF-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(C)([C@H](O)CCC2(C)CC2)CC1	2009542169	VIEUOCQDJMIRTJ-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011983362	PWXBNNIZFNRQSC-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](CN)(C[C@H]1CCC=CCCC1)C(C)C	2012432904	KFHYCDMEVWRCNN-HOTGVXAUSA-N	237.431	4.524	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)[C@H]1CCC(C)(C)C1	2013311838	MSZWQZGYBWGQBN-GJZGRUSLSA-N	239.447	4.712	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)C)C1(C)CCCCCC1	2015275927	ULULOLIMYMJKNA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)c1csc2ccccc12	2015277302	GFJOYMNOYWHUSP-FZMZJTMJSA-N	247.407	4.583	0	10	BJAE	
CC(C)[C@@H](C)CN(C)[C@@H]1CCCC(C)(C)CC1	2015338291	IFDJVTZMUBFWLN-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(CCNC1CCCCCC1)C(C)C	2015360573	JMOYRKOKLWFPAY-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](C[C@@H](C)C(C)C)C1	2015410273	UQDCSYWDMLLZGP-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@]2(O)CC[C@@H]2CC(C)C)CCC1	2015634337	QXGVDSVUNLWGIU-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C(=O)C2(CC3CC3)CCC2)c(C)s1	2015718657	XCJSUYXBZKGRNY-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1(C)CCCCC1	2016118399	AHPMFMUJMABHKB-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CC(C)CC[C@](C)(N)CC1(C(C)(C)C)CCC1	2017139754	YWOLGHBTCLPZCY-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@]12CCCC[C@H]1C2	2018580079	CORFJHVSSPLDLI-HRCADAONSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)[C@H]1C=CCCCCC1	2019122932	ZGHAARILVLLPTD-CABCVRRESA-N	237.431	4.632	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@@H]1CCCC(C)(C)CC1	2019387205	UCPXZIPZJLHFMO-SOUVJXGZSA-N	239.447	4.712	0	10	BJAE	
C[C@@H](CC1CC1)Nc1ccccc1C1CCC1	2021026748	CZXCZPNWAZARKX-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CCC[C@H]1C[C@@H]1Cn1ccc2cc(Cl)ccc21	2022550646	XQIAJXOSIHGPKZ-WCQYABFASA-N	247.769	4.731	0	10	BJAE	
CC(F)(F)CCCC(=O)CC1CCC=CCC1	2023303361	BZZFDLFCSUEVSJ-UHFFFAOYSA-N	244.325	4.518	0	10	BJAE	
CC=C(CC)c1cccc([C@@H](C)NCCC)c1	2025225319	UTCIINGOQRAFSU-CYBMUJFWSA-N	231.383	4.561	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NCC)c1ccoc1	2026170748	SDSOMGHTYLJZCV-HIFRSBDPSA-N	237.387	4.537	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@@H](C)C1CC1	2027626930	SPYMRSNOMHAGHC-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1C(=O)CC[C@H]1CC1(C)C	2027816396	VDTTXESIKYSYBL-AWEZNQCLSA-N	244.378	4.648	0	10	BJAE	
C[C@@H](CCCCCC1CC1)[C@H](O)c1ccccc1	2028626943	YMLFRNLRNGHPLO-YOEHRIQHSA-N	246.394	4.717	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)c1ccc(C2CCCC2)cc1	2031746023	JXXITTVFGXOKCI-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@@]23CCCC[C@H]2C3)C1	2031830404	YFRUAIXMFRKQJG-SOXILONMSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](NC2(C3CCCC3)CCC2)CC[C@H]1C	2033048867	POVYXQQDXGINIT-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
CC1(CCN[C@H](C2CCC2)C2CC2)CCCCC1	2033212305	JIUIQBJWVBLLLA-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)C(F)(F)CCCC3	2035244795	VEQXSFGLTMFHHI-UHFFFAOYSA-N	249.304	4.603	0	10	BJAE	
O[C@@]1(C[C@H]2C=CCCC2)CCCC12CCCCC2	2035586283	BDFRSKQMTMWZKD-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC)C[C@H]1C[C@H]1C=CCC1	2035601246	OSUMOETWBKLNIL-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1CC1CC2(CC2)C1	2036733105	XYSQKBUHQDYPLB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C1(C(C)C)CCC1	2037055544	RXLWDGZXCDBECX-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1CC[C@@H]1CC1(C)C	2037220453	JUNACRFHKRDNDK-MCIONIFRSA-N	243.394	4.658	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)CC[C@H]3CCCC[C@H]3C2)C1	2037581370	RGRYJALTERIAEE-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C(=O)[C@@H]1CCC(C)(C)C1)c1ccccc1	2037679177	PTIKCOAFAPTTOY-CABCVRRESA-N	244.378	4.576	0	10	BJAE	
CC(C)(CC[C@@H](N)[C@@H]1CC12CCCCC2)C1CC1	2039077638	ASDMGZYZJOHJIL-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CCC1CCCCC1	2039441997	PXRQNSQTWJMYQO-XIRDDKMYSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)C1(CC)CCC1	2039719756	KWWMGODNQPZZBE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC([C@](C)(N)C23CCC(CC2)C3)CC1	2039871800	HMXAFIBCMLNZKX-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(N[C@@H](C)C2CCC(C)CC2)c1C	2040631994	AEAXCNSLFBTGOW-NRAUKZCXSA-N	245.410	4.930	0	10	BJAE	
CN(CC1CCCCC1)[C@H]1CCCC2(CCC2)C1	2041293673	QTTLYFULGKDYAF-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C=CC=CCC[C@H](NC)[C@H]1CCC[C@H](CC)CC1	2041378670	FRGRXIQLOSBLNR-ULQDDVLXSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H]2CCC23CCCC3)CC1	2041381398	ZRXKSKSKTSULBJ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@]2(C)CC=CCC2)CC1	2042020024	TZQPVCOPOMUVKU-DOTOQJQBSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@@H]2CC(C)C)c(C)c1	2043687402	SERPEABZVPHWAY-HZPDHXFCSA-N	245.410	4.848	0	10	BJAE	
CCCN[C@H](C)c1ccc(C)c(C2=CCCC2)c1	2043810820	HCDLPMGUNOZHRA-CQSZACIVSA-N	243.394	4.623	0	10	BJAE	
CC(C)NCC1(C[C@@H]2CCC=CCCC2)CCC1	2045324601	XFCGYLJZQFGHPT-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC12CCCCC2)C1(CC)CC1	2047016386	ONMVKKOKAQHMIA-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
NC1(C[C@@H]2[C@H]3CCCCC[C@H]32)CCCCCCC1	2048439096	GXODWIWVTRJWQY-ZSHCYNCHSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](Nc1ccc(F)cc1)[C@@H]1CCCC(C)(C)C1	2049527599	DCDYDUOIZSPAEF-CHWSQXEVSA-N	249.373	4.843	0	10	BJAE	
CC(C)(CN[C@@]1(C)C=CCCC1)C1CCCCC1	2049959381	MNVFCJLEXBHQDV-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@]1(C)C=CCC1	2050004981	CAKNFOJGTJVQSR-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CN[C@@H](CC[C@H](C)CC(C)C)c1ccc(C)cc1	2050432306	VHRIZCBXGOFZJL-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CC[C@@]1(C)CCc2[nH]c3c(C)ccc(C)c3c2C1	2051616828	LWQDFOJMAHURCJ-KRWDZBQOSA-N	241.378	4.690	0	10	BJAE	
CC[C@@H](N[C@@H](C)[C@@H](C)CC(C)C)c1ccccc1	2053266912	QEGMRLABDSZBFQ-YQQAZPJKSA-N	247.426	4.798	0	10	BJAE	
CCCc1ccccc1[C@@H]1CC(=O)C[C@H](CC)C1	2055126374	XBDPVXLLVAAQQU-HIFRSBDPSA-N	244.378	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H]2C=CCCC2(C)C)C1	2055536106	MIYQVUKVXLDAMA-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)c1ccc(C)cc1	2056874549	YFSFHIHZHSDHQW-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2059004070	UDITVXFEUSOEEN-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1C[C@@H]2CCC[C@@H]21	2059261576	FSLMKHXQOCCWNK-YSBOKNOISA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CC[C@@H](C)CC1)C1CCCCCCC1	2060926574	RYHDXULAKMELGR-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C1=CCC(C)(C)CC1)[C@H]1CCCC1(C)C	2061095208	LPHHNFNKAUHQBW-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@]2(C)CCCCCN2)CC1	2061096601	WDLBBVQSAQJLJC-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C(C[C@@H](N)CC2CCCCC2)CC1	2061143845	MVPGHDILOOHEHN-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C1CC(=C2CC2)C1	2061651538	YWEMOZPWKRUODA-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](CC1CC(=C2CC2)C1)NC	2061737265	PIJSRWFOHOIBNN-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C1CC2(C1)CC(C)(C)C2	2063808965	ZKKYEDZWPPYNIY-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C23CCCC2CCC3)C1	2063829664	HSNDHTLFUCJSTA-FYKOZOLNSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H](C)C1CC2(CC2)C1)C1CCCCCC1	2064501978	OTHIBPOLUJVTQE-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CC(=CCCCCC(C)C)c1ccc(CN)cc1	2067341233	GJNREIUEPOPCKM-UHFFFAOYSA-N	245.410	4.765	0	10	BJAE	
Cc1cccc(NC2CC(CC(C)(C)C)C2)c1C	2067983190	PXGKOWHYQDJMST-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)c1cccc(C(C)(C)C)c1	2068838156	YCYFGJVTXMDTPH-CJNGLKHVSA-N	247.426	4.666	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@]3(C(C)C)C[C@@H]23)CCC1	2069343229	XLQWUZFAEMRJRQ-DJIMGWMZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)C1(CC2CC2)CC1)C1CCCCC1	2069502947	CEPSFCNVCRVHFJ-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC1([C@H](N)CC2CCC3(CC2)CC3)CC1	2069521497	LWMHHUWAGMHLQK-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C1(CC2CCC2)CC1	2069586430	CUYDWRYBVJJIMF-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](NC)c1cccc(C(C)C)c1	2071506079	QXQNGRBNHLUXBW-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CCc1cc(N[C@H]2CC[C@@H]2C2CCC2)ccc1C	2071786648	OKZDOVCARMZBDC-SJORKVTESA-N	243.394	4.548	0	10	BJAE	
Cc1ccc([C@H](O)CC2(C(C)C)CCC2)c(C)c1	2071897770	TULPCQPBMNYEPO-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](NC)C2CC=CC2)CC1	2072792463	AGMPSOCDUZSDHG-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H]2CC[C@H](C)CC2)c(C)c1	2072800160	BBZDYKYLHHAOHX-NUTKFTJISA-N	245.410	4.520	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](C)CC1)[C@H]1C=CCCC1	2072807337	VBDRAZUOAGXQRT-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C=C[C@H]2CNC(C)(C)C2)CC1	2073112229	OANFTLPAACIKGS-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)N(C)Cc1cc(C)cc(C)c1	2074920817	GTZIBFDXJHCWQQ-QGZVFWFLSA-N	247.426	4.704	0	10	BJAE	
CC1(F)CC(CNc2ccccc2C2CCC2)C1	2077264456	SFIIOVNJORFHBB-UHFFFAOYSA-N	247.357	4.504	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)C1(C)CCCC1	2079533348	WHBBUUVGCKUYJP-CWRNSKLLSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCC1CCC1)C[C@@H]1C[C@@H]1C1CCCCC1	2079630864	YGRMUOABBIULNR-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1C=C(CNCC)C1CCCCC1	2079670061	KNGNYVNTKACKKA-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)C(=C[C@@H]1C[C@H]1C1CCCCCC1)CN	2079703174	SVQVWUJCEHDCHE-ZBFHGGJFSA-N	249.442	4.524	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H]1C[C@@H]1C1CCCCC1	2079844090	UAKFQYQOMOFREV-FPCVCCKLSA-N	248.410	4.598	0	10	BJAE	
C(CN[C@@H]1CCCC2(CCCCC2)C1)=C1CCC1	2081674658	KTOAKNFREWMALF-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CCc1cc(F)ccc1NCCCCCC1CC1	2081954700	IKQIVJVTAGXISK-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@@H]1C[C@@H]1C=CCCC1	2082221755	QQDNUFPDJONNIP-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@H]2CCCC(C)(C)C2)C1	2082975437	IWHMIKTTYKOSTA-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)C[C@@H]1C[C@H]1C=CCC1	2083034280	ZAVZDUGLSSCESI-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CCC1C2(CCC2)C12CCC2)NCC	2083570924	NENCNWCOURKZGA-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2213279166	CTXYHMMZNPNVNS-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](C)N1CCCCCCC1CC1	2213577940	HIJOOJOIUBSLGB-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)CCCCC1CC1	2214567446	DYWXIQCHOGVOMH-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC[C@@H](N)C1CCCCC1)CC(C)(C)C	2214775248	HPJYXMXMLQKFLV-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC(C)(C[C@@](C)(N)C2(C)CCCC2)C1	2215393678	CQMXJESWTUGASP-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@]1(C)CC=C(C)CC1	2215814525	QRCGWPWLVNNKKN-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCC[C@H](C(C)(C)C)C1	2216255182	BWXVCOMHWPMZKU-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC(C)=CCC[C@@]1(O)CCC[C@@H](C(C)(C)C)C1	2216255680	DXSSEJXBSWWTLP-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CC[C@H]1[C@@H](O)CCCCCCCC1CC1	2216862441	YWHFDWVVPIYBSF-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@]1(CN[C@H](C)CC)CCC1(C)C	2217136122	HWUCOWDSWZZVQA-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218331540	FLELFFMYDRFALT-ABFRBSLYSA-N	249.442	4.514	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CNCC12CCC2	2218727296	RITRAEBMWUHPEW-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)C[C@H]1CC=C(C)CC1	2221609144	GUMXDNPCUXMTSE-BBWFWOEESA-N	249.442	4.633	0	10	BJAE	
CC1=CC[C@@](C)(CNC[C@H]2CC[C@H](C)CC2)CC1	2221643137	ABENBLHBXSCTGT-DJIMGWMZSA-N	249.442	4.539	0	10	BJAE	
CC1=CC[C@H](CN[C@@H]2CCCC(C)(C)CC2)CC1	2221668821	RIUIQGSPIWOUCU-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2=CCCCC2)c(C)c1	2221934770	BKBGZGOBAPOOIW-UHFFFAOYSA-N	242.362	4.685	0	10	BJAE	
CCC[C@@H](CNC1CCC1)CC12CCC(CC1)C2	2223554184	DGIXTCFJZRIWGP-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@]1(CNC2CCC2)CCCC12CCC2	2223603842	DPEUFCYXYGGDLZ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1cccc2ccoc12	2224181578	QKMXHDVRZJHUGS-IUODEOHRSA-N	245.366	4.649	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)c1cccc2ccoc12	2224183793	YFBPVHMKQYLMMP-SMDDNHRTSA-N	245.366	4.505	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H]1CCC1(C)C	2243144748	TUMDSEDZHVAYCA-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CCC(=O)c1csc(C2CC2)c1	2243500797	OMCHCGAEJFRCRO-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CCCCCCS[C@H](C)c1ccc(N)cc1	2246068128	XHPYBVMUQNXHAS-GFCCVEGCSA-N	237.412	4.643	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1CCCCC12CC2)NC	2246600319	YJCPYOKEHYRUBN-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC1(C)CC2(CCC2)C1	2250370977	KDIASDWWKGZSJQ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC(F)(F)CC)NCC	2250373932	WFNZXEZRZUPHJJ-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC[C@](N)(CC[C@H](C)CCCC(C)C)C1CC1	2250477434	XNJPSBQPFMYTCY-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CCNC[C@@H](C)C(C)C	2250530901	WDXNVMFCPUCMCI-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CCNCC1(CC[C@@H]2CCCCC23CC3)CCC1	2253858005	VDNFJMIOPNSCBL-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCCC23CC3)CN1	2253887560	XLNWXHCKLXESAT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](NCC[C@@H]2CCCCC23CC3)C1	2253890220	PMJDNUMPPAQPJW-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2C[C@@H]3CCC[C@H](C2)N3)C1	2253974786	XIYYGUFXXVQTKB-DQIHPLBOSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2CC3(CCCC3)C2)C1	2254105501	HEXKMGMFHPGSMJ-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c(NC2CC3(CC(C)C3)C2)c(C)c1	2254149294	PZDQFTARWKCDAT-UHFFFAOYSA-N	243.394	4.602	0	10	BJAE	
CCN(CCCC[C@H]1C[C@@H]1C)c1cccc(C)c1	2254578978	CUIGJENMFIRZER-HOTGVXAUSA-N	245.410	4.648	0	10	BJAE	
CNCC1(C[C@H]2CCC23CCC3)CCCCCC1	2255027761	URBSXYSUEFQIAA-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CC[C@@](C)(C(=O)CC2=CCCCC2)C1(C)C	2255061725	DTFVSXHSBKFEKP-GUYCJALGSA-N	248.410	4.908	0	10	BJAE	
CNCC1(CC2=CCCCC2)CCC(C)(C)CC1	2255105422	SLICHMBGOBXBDN-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC[C@H]2CCCC23CC3)C1	2255231460	BHCHSPWNHZTLMD-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC[C@H]1CCCC12CC2	2255240460	YNOYOADBYGWECL-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCCC[C@H]1CC	2256115589	OTCRHLHDIQHPQX-DOMZBBRYSA-N	249.373	4.769	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cccc2c1CCCC2	2259441185	JONHLKFBISMPAT-ZDUSSCGKSA-N	244.378	4.574	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)[C@H](C)CC1CCC1	2298861785	OMTDBOPADRGPFN-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCC/C=C/CNc1cc(C(C)C)ccc1C	2300468025	GKCFFVHSZMFUMJ-BQYQJAHWSA-N	231.383	4.887	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CCC[C@@H](C)CC1	2300675115	BHXQIZLSTZCCNA-KBMXLJTQSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@H](CC(C)(C)C1CC1)NC	2300686451	QTDFRRWGAALXKE-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CN)CC=C(C)CCCC(C)C	2300870241	RVVBLDPTAYHWCB-UHFFFAOYSA-N	239.447	4.914	0	10	BJAE	
CC(C)C1(C[C@H](O)CCCCC2CC2)CCC1	2302571463	KTZBUPRSBWLIOI-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@@H]1CCC(C)=C(C)C1	2303584575	QWAJFVVYBNKQQV-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2cccc(C)c2)CC1	2303591621	BTOJLYLLGMTBDE-HNNXBMFYSA-N	229.367	4.543	0	10	BJAE	
CC[C@H](CC[C@@H]1CCC(C)(C)C1)CNC(C)C	2304428925	RMGXUIOBNUUJPY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCC(C)(C)C1)C1CCC1	2304432194	SHXRZXYFGZNKSB-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CC=C(C)C)CC[C@H]1CCC(C)(C)C1	2304433428	BTXLUAZLJORHNE-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C[C@H]1CCC[C@@H]2C[C@H]12	2312767627	GNGLCORCNFGFAX-DRXUAVOGSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(C(=O)CC2=CCCCC2)ccc1C	2314713605	VKRLWEVKNMZBAX-UHFFFAOYSA-N	242.362	4.631	0	10	BJAE	
O=C(CC1CCCCCC1)C12CCC(CC1)CC2	2316882477	ZHBNSZYRYNYJNO-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1C[C@H]1C[C@H]2CCC[C@H]1CC2	2316937279	AUNXJJQPKXWHGB-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317157513	MSZBJIPGFBKPGS-RBSFLKMASA-N	248.410	4.764	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H](O)c1ccc(C2CC2)cc1	2317839980	UUCDIALLDPQJEV-AHIWAGSCSA-N	246.394	4.526	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)(C)C1)C1(C)CC=CC1	2319028170	APCQVIFHWNDZJA-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(CC(=O)CC[C@@H]2CC[C@H]2C2CC2)C1	2319698478	YAKSAAUBNYKQIQ-ZBFHGGJFSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2320215987	UCSROYZPZBUKFM-FHIRATQRSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCCCC23CC3)CC1	2320389332	ZEBAKLVAONDCGC-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](C[C@@H]1CCC(C)=C(C)C1)NC	2320395346	DLZFPMQKKNSMBV-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](NC[C@@H]2CCC(C)=C(C)C2)[C@H]1C	2320407356	ZVGMZHMHSPTMJW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(NC[C@@H]2CCC(C)=C(C)C2)CC1	2320410624	ADLBGFNWFYXFBQ-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc([C@H](O)C[C@@H](CC)CCC)cc1	2328196351	KYVPTEYUFBLAAU-WMLDXEAASA-N	248.410	4.889	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCC[C@@H]1C	20306121	SRKZXOROCULIKZ-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CC1CCC(N[C@H](c2ccccc2)C(C)C)CC1	35015824	KIGNQPMMWFMFHD-PREGVCBESA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@@H](C)CC(C)(C)C)c1	37353533	VJPCDXHBSGBRKU-CYBMUJFWSA-N	246.394	4.949	0	10	BJAE	
CCCCCC[C@H]1CCCCC[C@@H]1NCC	82434089	NWBAOOJVONLHFT-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2CCC(C)(C)CC2)CC1	86890220	SNYSKIYWLWHPSO-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@@]1(O)CCCC[C@H]1c1ccccc1	87164416	UOVJHXFVDQUAAV-IRXDYDNUSA-N	246.394	4.512	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@@H]1CCCCC1(C)C	94274635	XMUOTXYMJALGAO-GOEBONIOSA-N	245.410	4.614	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](O)(CC)c1ccccc1	103946038	QQJUDDBKHZFYPZ-WBVHZDCISA-N	248.410	4.891	0	10	BJAE	
CC[C@H](C[C@@H]1O[C@@H]1CC)c1ccc(C(C)C)cc1	107635460	KNJWLOUBRMAVRM-XYPHTWIQSA-N	246.394	4.871	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1C[C@@H](C)CCC	109660821	OPIREXOCSKDLTD-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)CC(C)(C)C)cc1	109785811	KFBVRLLAHDFONX-WFASDCNBSA-N	234.383	4.670	0	10	BJAE	
CCCC(CCC)[C@H](N)c1ccc(Cl)s1	132911276	FZQNITNTCIIXLA-LBPRGKRZSA-N	245.819	4.618	0	10	BJAE	
CCCCCCC(=O)c1ccc(Cl)s1	133688869	BZIQQOHTYRQGLC-UHFFFAOYSA-N	230.760	4.555	0	10	BJAE	
CC(C)C[C@@H](N[C@H](C)C1CCC1)c1ccccc1	137709786	LARCSLDWROKOED-RHSMWYFYSA-N	245.410	4.552	0	10	BJAE	
CCC(CC)C[C@@H](CNCC(C)C)C(C)(C)C	162414518	XQDZJSGAAGODTH-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](C)CC(=O)Cc1ccc(C(C)(C)C)cc1	164904614	PJBHSOVAFXFEJX-ZDUSSCGKSA-N	246.394	4.532	0	10	BJAE	
CC(C)(C)NCC1(C2CCCC2)CCCCC1	168015681	APZWFBKSEAGVMN-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C2([C@H](C)F)CCCCC2)cc1	220340689	FEAHANNPTQRSPU-ZDUSSCGKSA-N	220.331	4.555	0	10	BJAE	
Cc1cccc(N[C@H]2CC[C@@H](C)[C@@H](C)C2)c1C	220572672	MMHZBSHCMQPEMS-ZLDLUXBVSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H](N[C@H]1CCC[C@@H](C)CC1)c1ccccc1	226501559	KDTPENPMQAEEIJ-HYVNUMGLSA-N	245.410	4.696	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C1(C)CCCC1	229178636	FHRSRUVCFPMYLG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC1CC1)Nc1c(Cl)cccc1Cl	229697426	KVWZBXUTBGWGLF-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](C)c1ccc(C)s1	251524435	AISOSUPTKLHDOX-DMDPSCGWSA-N	239.428	4.532	0	10	BJAE	
CC(C)[C@H](N[C@@H]1CCCC[C@H]1C)c1ccccc1	252181356	QCBFPRLZDFUENU-OIISXLGYSA-N	245.410	4.552	0	10	BJAE	
Cc1cc(C)c(Cl)c(C2(C#N)CCCCC2)c1	260229037	ARBYVGKLMWAWDG-UHFFFAOYSA-N	247.769	4.682	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1CCC1CCCCC1	302243303	GOELOFJCJDZCGC-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CCC1CCCCC1	305895489	GDCUGIKLPLQIOR-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)NCc1ccc(C2=CCCCCC2)cc1	306112759	XNWQJJYDLOMSEP-UHFFFAOYSA-N	243.394	4.532	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)c1ccsc1C	308060136	ROYFXVVRVYMDKY-TZMCWYRMSA-N	239.428	4.519	0	10	BJAE	
CCC(CC)[C@@H](C)NCC1CCC(C)(C)CC1	310302650	BWKAVZCVGPNKTR-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](CC2(CC)CCC2)NCC)CC1	310513517	LWNLHVSURZWLHU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)CC1CCC(C)CC1	310543166	UEDDDZZAZYSGGQ-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@@H]1CCCC1(C)C	310835696	LHBUIXPIBGLRSU-HOTGVXAUSA-N	245.410	4.636	0	10	BJAE	
CCCC1([C@@H](O)c2ccc(C(C)(C)C)cc2)CC1	310962075	UHHWHJDZNWRKCO-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCC[C@H](Nc1cc(C)cc(F)c1)C1CCC1	322249793	CMYHTRKHAGGBSC-HNNXBMFYSA-N	235.346	4.515	0	10	BJAE	
CC[C@](O)(CCCCCC(C)C)C1CCC1	322292051	REUXACSZTKXLOR-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@](O)(c1ccccc1C(C)C)C1CCC1	322475275	QKUJDPWFIPINFP-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCC[C@H](Nc1cc(C)cc(C)c1)C1CCC1	322525161	KNSAJEXOOVCWOQ-INIZCTEOSA-N	231.383	4.684	0	10	BJAE	
CC(C)c1ccc(C(=O)C(C)(C)C2CCC2)cc1	322544474	BWSCXDMQMTXNLV-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCC1(C[C@@H]2C[C@@H](C(C)C)CCC2=O)CCC1	382424007	VCXPRXDCOVIGDD-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(CCC1CCCCC1)CNC(C)(C)C	383225177	NHXWUYDKUFYXMM-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC1(c2ccc(F)c(Cl)c2)CCCCC1	383413596	IVIFMIQXVIUVIP-UHFFFAOYSA-N	226.722	4.701	0	10	BJAE	
CC/C=C\CN[C@H](C)c1ccc(CCCC)cc1	385040992	REHIDVBCPSTQDA-DDJMYBDESA-N	245.410	4.646	0	10	BJAE	
C[C@H]1C[C@@H]([C@H]2CCC[C@@H](C)C2)Nc2ccccc21	385139612	MAOFJRXWEXVOFR-FHIRATQRSA-N	243.394	4.801	0	10	BJAE	
CCCCCC[C@@H](N)CCC1=CCCCC1	385854030	YGGDTCCOIGVKMF-OAHLLOKOSA-N	223.404	4.565	0	10	BJAE	
C1CC[C@H]([C@@H]2CCC[C@H]2CCC2CCCC2)NC1	386003019	KYLVBNNCRFLNCU-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)c1ccccc1C(C)C	386639902	RGGJTNJKGOVCAK-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
CCC[C@@H](NCC(C)(C)CC(C)C)C1CCC1	391193553	KCNIJVUMSCVORL-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC1(CNc2cccc(Cl)c2)CCCCC1	394672079	XZDLMGDJOHMWGN-UHFFFAOYSA-N	237.774	4.722	0	10	BJAE	
Cc1cscc1N[C@H](C)[C@@H]1CC2CCC1CC2	395690985	GJHQDSZNPLLXBZ-RYSNWHEDSA-N	249.423	4.683	0	10	BJAE	
CCc1csc2c(C(F)F)ccc(S)c12	396238192	JNOFEVDSYRYOBY-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCOc1sc2cccc(C)c2c1C(F)F	396249423	SAIWULFCGNEZNT-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
O[C@@H](CCCC1CC1)c1cc2ccccc2s1	406011895	WKBUBQGMSCMBKE-ZDUSSCGKSA-N	246.375	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNCCC(C)(C)CC	686310786	NBWMPCMTSKRKRL-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1CC2CCC1CC2	689720138	SISFBCSWKRTQTL-LYAPFXNSSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)C1CC(C)C1	691961408	CMXDKUAHOHAFBE-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)C1CCC(C)CC1	692059342	LMWDCTLBYSELIJ-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CN[C@H]1CCC12CCCC2)C1CCCCC1	693797461	SNJYNRMSJDJGBJ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC(C)C)[C@@H](C)c1ccc(C(C)C)cc1	695054889	QNPSSWULCSSVLU-YOEHRIQHSA-N	247.426	4.548	0	10	BJAE	
CC[C@H](C)CCNCc1ccc(C(C)(C)C)cc1	696173898	JGXULILYYOJGJN-AWEZNQCLSA-N	247.426	4.510	0	10	BJAE	
CCC(C)(C)CCC(=O)CCCc1ccccc1	696558922	BSQUWDXUVYQMFF-UHFFFAOYSA-N	246.394	4.795	0	10	BJAE	
CCCC[C@@H](CC)CNCCC(C)(C)CC	696736152	OILGSCFBGAPERO-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)C1(C(C)C)CC1	697559252	QBWRVYCSGMHUSS-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@H]1CCCC[C@H]1C)C(C)(CC)CC	701148489	PFTOOFJWDCEFHJ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc(Cl)c(C)c1	701390941	XFAZCIZHLXXUIM-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)CC(C)(F)F	704736794	ZIYVVRKTFBOMQX-CQSZACIVSA-N	249.389	4.618	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@@H]1CCCC[C@@H]1C	704911736	BIRYULJUPIDNPS-GXFFZTMASA-N	238.758	4.606	0	10	BJAE	
CCCC(N)(CCC)[C@@H]1CCC[C@@H](CC)C1	704979387	PUYYNFKYFGHFPI-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CCCCC1(C)C	704993771	NAXOYWWHMOVJEN-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H](Nc1ccc2sccc2c1)C1CC1	705372178	CXUPOQWRWIMHRZ-OAHLLOKOSA-N	245.391	4.748	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H](C)CC(C)(C)C	708286790	LVXDCPLXJFADFH-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccc(Cl)cc1C	708448599	PCCNRFIBIPAOOR-YGRLFVJLSA-N	240.774	4.508	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(O)C[C@H](C)CC[C@@H]1C	709259158	LEQMVZGIUQKZMK-HOSILWTGSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@@H](N)c1cccc(C(C)(C)C)c1	709510354	RSBKBHCLXQALJZ-MRXNPFEDSA-N	247.426	4.810	0	10	BJAE	
CC(C)(C)CNc1cccc(-c2ccccc2)c1	709728650	POTDPUZJUJUSNZ-UHFFFAOYSA-N	239.362	4.812	0	10	BJAE	
Cc1cccc(CCC(=O)C[C@H](C)C(C)(C)C)c1	711142903	DKJOIGMMCVTVTQ-AWEZNQCLSA-N	246.394	4.569	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C1(C)CCCCC1	713229988	GAYWRJCQQYYKOO-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)C[C@@H](C)CC(C)(C)C	713249873	NGRAIIQQTQSXQB-ZIAGYGMSSA-N	242.447	4.882	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@@H]1C[C@@H]1CC(C)C	713667943	IRPCVOJKMILIFV-ZKMWYASASA-N	249.442	4.559	0	10	BJAE	
C=C/C=C\CCCc1ccc(Cl)cc1F	713744944	KDASDBWNHRNDFJ-ARJAWSKDSA-N	224.706	4.544	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NC2CC(C3CC3)C2)CC1	714698598	ZTEBACVOBDKDDH-MHABSNSOSA-N	249.442	4.514	0	10	BJAE	
CNCC1(C[C@H]2CCC[C@H](C)C2)CCC=CCC1	718119662	OJYHVNPYHIKVPL-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCCCCC2(C)C)o1	719260896	OAKHAUQWEMQJKB-ZFWWWQNUSA-N	249.398	4.598	0	10	BJAE	
CC1(C)CCCCC[C@@]1(O)CCC1CCCC1	719266893	HBSDAPWDNMFKKX-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCCCN(C[C@H]1CCC[C@@H](C)C1)C(C)C	1308571544	VFEJIFJLHXXJFR-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CC(C)[C@@H](C)SCC1CCC(F)(F)CC1	1458966458	BGSRLZJUWRCVAF-SNVBAGLBSA-N	236.371	4.590	0	10	BJAE	
CCC1(CC)CCC(NCCC(C)(C)C)CC1	1560262919	UDFMDBRYTMQBOT-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
C1=C[C@H](S[C@@H]2CCCc3ccccc32)CCC1	1613498628	RWJOPJFHOVDXMY-GOEBONIOSA-N	244.403	4.906	0	10	BJAE	
CCC[C@@H](C)CCNC1CCCCCCC1	1660600819	CLVUZXGKJNVYJI-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)CCC(C)(C)C	1905389907	MNZLVDPVISVNHH-HIFRSBDPSA-N	228.420	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1(C)CCCCC1	1905431960	OLLXAUQQXFRDOX-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H]1CCCCCCC[C@H]1O	1908564299	LPBYQMBCMVNSCU-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](O)CCC1CCCCC1	1908581302	GFKQATIWEAJNCS-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)CC1(O)CC2(CCCCC2)C1	1912712065	HPXIITNKBPYQIN-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1CCC2(CCCC2)C1	1916399730	IPNYWLZUEYFHPN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C1=C[C@H](N[C@H]2CCC3(CCCC3)C2)CCCCC1	1916462737	BKROGNDSIIWUHO-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
C[C@@H](NC[C@@H]1CCCC12CCC2)C1CCCCC1	1921602136	KRHZWRQLXCJAKL-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CC[C@@H](N)[C@@H]1CCCC12CCC2)C1CC1	1921616491	BVDBPNJMDWQFSL-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(NC[C@@H]2C=CCCCC2)cc1C	1925944984	IBLIYNMZZCGKCL-OAHLLOKOSA-N	243.394	4.716	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1CC2CCC1CC2	1926160277	WIISZIAHRCAJAW-NRXISQOPSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1(C)CCCCC1	1935605751	KOJBCSPPLQZZHF-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H](CCC)C(C)C	1936206573	HPSPJMHZMXWRRZ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H](CCC)C(C)C	1936207010	NOBHZBZRTVGJKE-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C1(C)CCCCC1	1940881888	HRIWVGLSAJDYFM-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@H]1CCC[C@@H](C)C1)C(C)C	1941265848	YVXUZZOUCRQEKF-ILXRZTDVSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(O)CCCC1CCC1	1941469812	IKPHCSWKGGQUCF-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CCC2CCC2)CC1	1941473842	VBOVQXZLFKTDOX-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](C[C@@H](N)C(C)(C)C1CCCC1)C(C)(C)C	1944643228	WFLKYLANCOXDCC-GXTWGEPZSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC(C)(C)C(C)C)C(C)(C)C(C)C	1944667936	IDYJNJJHDBYFMC-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CCCC(C)(C)CC1	1944819802	MQFHBFOTMSSMIY-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@]1(N)CCCC(C)(C)CC1	1944846118	MQFHBFOTMSSMIY-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2cccc3sccc23)C1	1945970695	RIRMVRIJMKGMAA-QWRGUYRKSA-N	244.359	4.520	0	10	BJAE	
c1cc2cc(N[C@@H]3C[C@@H]4CC[C@@H]4C3)ccc2s1	1946658277	SJUKOAWTKPDDMG-YABSGUDNSA-N	243.375	4.502	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@H]1C=CCCC1)CC(C)(C)C	1947585929	FUFBHHBENRALGF-QLFBSQMISA-N	237.431	4.523	0	10	BJAE	
CCCNC1(C(F)F)CCCCCCCCC1	1947879690	RPYYONJHVCVZTG-UHFFFAOYSA-N	247.373	4.514	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CCC1=CCCCC1	1949051535	OXFIFYSCQRPPOS-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC=CC[C@@H](C)c1cc(C)c(OCC)cc1C	1951308468	HLJRKVOLUNZHMY-GFCCVEGCSA-N	232.367	4.772	0	10	BJAE	
CCC(CC)CN(CC)[C@H](C)CCC(C)C	1963156380	CAZASIAOTZPXNF-CQSZACIVSA-N	227.436	4.569	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1NC1CCCCCCC1	1967719472	GWRDVGPNNRZSAD-DZKIICNBSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H](NC[C@@H]2CCCCC23CCC3)C1	1967864768	IZSAKJJGYNPYEG-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@H]1CCC2(CCC2)C1	1969300068	BCMKBRVKWUVTNE-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@H]1CC[C@H]2CC[C@H]1C2)C1CCCC1	1970932931	NIKCBSNEDVVGFX-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCC2CC3(CCC3)C2)C1	1973745271	UXZGWRMVSXGLMB-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCCCc1c(F)cccc1F	1984611450	ADWVQDJIQFOLPU-UHFFFAOYSA-N	224.294	4.644	0	10	BJAE	
CCC[C@@](N)(CC1(CC)CCC1)C(C)(C)C	1988426092	UQAOAXOTNOWKAE-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1CC[C@H](C)CC1	1989837249	QJQBRIWDZRFRSW-MGPQQGTHSA-N	224.388	4.598	0	10	BJAE	
CCCCc1ccc(CC2CC=CC2)cc1	1992375486	PJRXTAZJEGELNU-UHFFFAOYSA-N	214.352	4.538	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@]1(C)C[C@@H]1C	1995202897	HXZOJEGNVWBDNN-KCQAQPDRSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CC[C@H](c2nc(C3CCC3)cs2)C1	1995472288	VPMJWIRREFEVHP-NSHDSACASA-N	235.396	4.704	0	10	BJAE	
CC[C@@](O)(C[C@H](C)C(C)(C)C)C1CCCCC1	1996555889	UNGPDIUOGLWIPG-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@]1(N)CCCC2(CCCCC2)C1	1996648082	VPXCAJZVCRWCRH-MRXNPFEDSA-N	237.431	4.789	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCC2(CCC2)C1	1998695782	KIXVRFKMFVZEFU-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(O)C[C@H](C)CC(C)(C)C	1998751255	FQDRZNZFHSGAQA-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
Cc1ccsc1[C@H](N)C[C@H]1CCC=CCCC1	1999989712	CYLVBSBQBMGINB-UONOGXRCSA-N	249.423	4.583	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H]([C@@H]2CCCC(C)(C)C2)C1	2000095962	DNQPNBHLDFOYLX-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](CC)(CCC1CC1)CNCCC	2000503990	CVCFEWFXYGESIX-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCCNC[C@@](C)(CCC)CCCC1(C)CC1	2000515840	TXYDZXWITPGSKX-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@H]1CCC[C@H](C)C1	2000904340	FWMRESJEMOTHGQ-HOCLYGCPSA-N	239.447	4.712	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H]1CC12CCCCC2	2001210316	JEKOMECCNASGAA-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(O)[C@H]1CCC[C@H](C)C1	2002999139	QNQRKJBBVOELJC-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCCCCC1CCC(C(=O)C2CCC2)CC1	2003068099	DFUUJMVQBVYOLU-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCCC1CCC(C(=O)[C@H]2C[C@H]2C)CC1	2003068622	LRSBWLMQOISDIR-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(Cl)nc(-c2c(C)cc(C)cc2C)c1	2003071979	KPIYOEMZFGYGGL-UHFFFAOYSA-N	245.753	4.636	0	10	BJAE	
CCC[C@H](CC[C@H]1CCCC2(CC2)C1)NCC	2003219117	WPOFNULKWLSTFW-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H]1CCC[C@H](C)C1	2004726091	YAVDTNMWCQVPBK-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C1(C)CCC(C)(C)CC1	2007696009	LDLMBSGGTFTSBW-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)C(=O)CC1CC(C2CC2)C1	2007767018	FPZVPNFYDSCSTA-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H](C)CC(C)(C)C)C1	2007770626	GQZRBXWGDCYOJZ-IYXRBSQSSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCC(C)(C)CC[C@H]1O	2009407665	OPOXBWCFQQNKKG-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CCC(C)(C)C1	2009599246	XEKCJQQOYSIWAA-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@]1(CNCC)CCCC1(C)C	2009617293	QWYCGMIEPLIOMA-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1(C)CC(C)(C)C1	2009619947	PVBOXTSXFONTDJ-IZPAUZPXSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCN[C@@H](C)C1CCC(CC)CC1	2011434254	MIHDJSYRVMIKHO-FHERZECASA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCCNC12CCCC1CCC2	2012151077	PFXUCNGVIVZIOY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@@](CC)(C(C)C)C1CCCCC1	2012417408	STOZPPTVTHCPTN-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CC1(O)CCC2(CCCCCC2)CC1	2013201952	HKRFRLAIYKDXGT-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)CC(C(C)C)C(C)C	2015408741	LLPVFGAZXWVXHQ-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)CCC=C(C)C)CC1	2017659508	VRYFINSHINBQNN-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CCCC1CCC(CCC[C@H](O)CCC)CC1	2017714557	HCOCWXGOCKOQQW-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(CC(N)(C(C)C)C(C)C)CC1	2017729432	WSDNZRARWBFIHJ-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1C[C@@H]1C1CCCC1	2018130233	NFASSNAGUYIAGD-XHSDSOJGSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1CCC2(CC2)C1	2018135528	ZTNPKEZTPVJTQK-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)N(C)[C@H]1CCCCC12CCCCC2	2019306938	DSQKDQPMDLMHLO-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CC(C)CCCCCN(C)[C@H]1CCCC1(C)C	2021081555	FEYJIWMXVLHSSI-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCC1CCC(C[C@H]2CC(C)(C)CC2=O)CC1	2023633136	SIGWKBUIXVLBQV-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1CCCC(C)(C)C1	2024096543	VPRWXVBQIXZSGR-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CCC2=CCCCC2)C1	2024116164	HBPUYMYZSXAGMA-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CCCC(F)F)NC	2026165801	FCLWPJVCWOBGHP-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@H]2CCC[C@H]1C2	2026239236	RPBOSSWKFXPKFY-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H]1C[C@@H]1CC(C)C	2027028423	IRPCVOJKMILIFV-BBWFWOEESA-N	249.442	4.559	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1ccc2ccccc2c1	2028237607	BCZVCPFSUZKOIH-DLBZAZTESA-N	242.362	4.555	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1ccccc1C1(C)CC1	2028555899	XUTZSNGWGQEDLX-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
N[C@@H](CCCC1CC1)c1ccccc1C1CCC1	2029074455	KKYMDCNJSCNFDT-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)CC3(CC3)C2)cc1	2030279852	QEYUOGWIXNXZQM-OAHLLOKOSA-N	243.394	4.766	0	10	BJAE	
Fc1ccnc(-c2ccc(C3CCCC3)cc2)c1	2031747218	RAYIYCXDNSBQKF-UHFFFAOYSA-N	241.309	4.545	0	10	BJAE	
C[C@H](Nc1cccc(C2(C)CC2)c1)c1ccoc1	2032248108	VLUYZWKAFBWFNZ-LBPRGKRZSA-N	241.334	4.504	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC(C)(C)C1)c1ccccc1	2033377464	AIESXXKBAHRMNZ-UKRRQHHQSA-N	244.378	4.576	0	10	BJAE	
CCCNC[C@]1([C@@H]2CC2(C)C)CCC=CCCC1	2033628701	FLLSVADBEBKSEC-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC=C[C@@H](C)N[C@H](CCCC)c1ccc(F)cc1	2034977249	ILMKZNPAAZAJSJ-CZUORRHYSA-N	249.373	4.611	0	10	BJAE	
Cc1coc(C)c1[C@@H](N)C[C@@H](C)C1CCCCC1	2035534270	PTWDZTZWSBXQIG-ABAIWWIYSA-N	249.398	4.503	0	10	BJAE	
NC1(C[C@H]2C=CCCCC2)CCC2(CCC2)CC1	2037268873	BXTYHOOPQMQOOR-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC2CC3(CCC3)C2)CC1	2038090481	RXJWHDUBTLFRBJ-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1CCC2(CC2)C1	2038570993	GWOOQWVMIGCHNF-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1N[C@H]1CCC2(CC2)C1	2038580121	SNISOPUBLOJWFS-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CC1CCC(C)CC1	2039434474	JMSFORJJQLKGBD-VEMNMXHQSA-N	249.442	4.523	0	10	BJAE	
C1=C[C@H](N[C@H]2CCCC3(CCCCC3)C2)CCC1	2040767250	OZLVRVMFBYENAH-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@]1(C)CC=CCC1	2042031959	XSWVUZGLOIGWOK-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC1[C@H]2CCC[C@H]1CC2	2042051696	KKBMOQAVRAAQJU-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
CC(C)CC[C@@H](NC[C@]1(C)CC=CCC1)C1CC1	2042071597	IFDUVWLFUCPBNC-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CCCNC2(C3CC3)CCCC2)CC1	2042947567	VXEAERRMUAGBGQ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
Cc1ccccc1C(=O)CC1CC(C(C)(C)C)C1	2042999499	CFWQESBBFSQNNL-UHFFFAOYSA-N	244.378	4.640	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H]1[C@@H](C)CCC[C@H]1C	2043193861	IOIWSWQSTMTFNH-QSJFSLAZSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CC([C@](C)(N)[C@@H]2CCC3(CCCC3)C2)C1	2043551864	ZZNMJVKKOJYHMH-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(C[C@H]1CCC=CCCC1)C1CCCCC1	2045311944	MFZQAHUDYAXKME-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
N[C@H](C[C@@H]1CCC=CCCC1)C1CCCCCC1	2045315301	SFTOYDFUNYKDPH-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(F)ccc1NC[C@H]1CCC=CCCC1	2045330795	YZOOXCIGLAXHQM-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
O[C@@H](CC[C@H]1CCC=CCCC1)c1ccccc1	2045346569	UUUZCBJBBAPLGV-RDJZCZTQSA-N	244.378	4.637	0	10	BJAE	
C[C@H](C(=O)[C@H]1CCCC(C)(C)C1)c1ccccc1	2045449077	HSAHCIUKQYXFMH-ZFWWWQNUSA-N	244.378	4.576	0	10	BJAE	
CCCC[C@H](NCCC)c1ccc([C@H]2C[C@H]2C)o1	2045773021	CPCHEYHBPHYIAV-RDBSUJKOSA-N	249.398	4.634	0	10	BJAE	
CCCC[C@@](C)(CN)Cc1ccccc1C(C)C	2045965418	MWDIRYXLYUPXCJ-QGZVFWFLSA-N	247.426	4.508	0	10	BJAE	
C=CC=CCCN[C@H](C)C1CCC(CCC)CC1	2049424493	HNLMQSZSMNZUMT-KLAILNCOSA-N	249.442	4.703	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@@H]2CCC3(CC3)C2)C1	2049866006	OECOCMMTOMZOKR-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](NC[C@@]1(C)C=CCC1)C1CCC(C)(C)CC1	2049986095	FPFVCQUHSSJEMA-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@@H](CC)C1)[C@@]1(C)C=CCC1	2050007320	PRWPCQFMUTUZSH-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(N)C3CCCC2CCC3)C1	2050012538	RZGVVGQGPDIGEE-LIHZJYIUSA-N	249.442	4.501	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@@H]3C[C@@H]32)CCCCCCC1	2052504051	BQTDNMUOPKAYDX-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2CCCCC23CC3)C[C@H]1C	2053359542	SDQNUJHVWWYXRA-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CC1=CCCC[C@@H]1NC1CCC(C(C)(C)C)CC1	2055672871	YGGJNCUZDNRBKC-GPANFISMSA-N	249.442	4.680	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1ccc(C)cc1C	2059257610	ZFXXDCMLNXXDII-QQOXCAACSA-N	245.410	4.700	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@@H](N)C1=CCC(C)(C)CC1	2061151049	PKLWYQSJZHTOEH-XHSDSOJGSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2061606385	LFYHSJOWQVHYPR-PNBKFKSVSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC)CCCC1CC(=C2CCC2)C1	2061729412	WHEPQLGWYMNTPY-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](N)CC1CC(=C2CC2)C1	2061729814	ANMQANBBPCZJGA-SJORKVTESA-N	249.442	4.523	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCCCCC23CC3)c1	2062017149	MSEXBKXOGBMRCG-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
CN[C@@H]1C[C@@H](C[C@@H]2C=CCCCC2)CC(C)(C)C1	2063642159	PFKYHWZELYKFHQ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H]2CC(=O)CC3(CCC3)C2)C1	2063720613	JXZOFMISXGXYQJ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCC1CC1)C12CCCC1CCC2	2063831004	RMCDVYAPWZUMIP-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C12CCCC1CCC2	2063857827	FKSPPLKTMHYURW-HPUBIQBYSA-N	246.394	4.662	0	10	BJAE	
CCCc1ccc(N[C@@H](C)C2CC3(CC3)C2)cc1	2064498719	VLIVEYNZKQKZKY-ZDUSSCGKSA-N	243.394	4.630	0	10	BJAE	
CCc1ccc([C@@](O)(CC)C[C@H](C)C(C)C)cc1	2068817524	GOBOMDUWPURPEX-WMLDXEAASA-N	248.410	4.529	0	10	BJAE	
CCCC1(C[C@@H]2CCN[C@H]3CCCC[C@H]32)CCC1	2069345623	WWXYEBKIOOOLLN-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CC[C@@H]2C[C@H]2C)cc1	2072081799	LMUZHXSQRMFHRM-WOSRLPQWSA-N	244.378	4.819	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@]23CCCC[C@H]2C3)C1	2074033078	IXQONTORYLQIQX-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H]2[C@H](CN)CCCC23CCC3)CC1	2074629510	POQSJTLRQMGQQL-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1C[C@H](C)c2ccccc21	2074896568	QJRGSXIOOFCGGE-SQWLQELKSA-N	243.394	4.579	0	10	BJAE	
CCCC1CCC(CN2C3CCC2(C)CC3)CC1	2075313432	YVSJPIRFZWLSPV-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CCN[C@@H]1[C@H](C[C@@H]2CC=CCC2)CCCC1(C)C	2076401191	JVXUIZGTBYCXSP-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H]1CCCC2(CC2)C1	2077189815	LWVSQFXZNJLYAL-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1ccc2ccccc2c1	2079458874	QCASSDACPBTISN-GOEBONIOSA-N	239.362	4.688	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@H]2C2CCCC2)CCCCC1	2079632688	JDZOXDCRXOZWNA-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
C1CCCC([C@H]2C[C@H]2CCCCNC2CC2)CC1	2079667435	WYXLDIGQHXHUGQ-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C[C@@H]1C1CCCC1)C1CCCC1	2079851784	NCWBDEXCBSCREO-APHBMKBZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@@H]2C2CCCCC2)C1	2079864356	MHXSDWINTIBLOV-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(C[C@H]1C[C@H]1C1CCCC1)C1CCCCC1	2079868986	AXRZYRJSJUAKPP-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@H]1CCCC(C)(C)C1)c1cccc(N)c1	2082977899	BZNMPDRKBXKSPG-CQSZACIVSA-N	243.394	4.889	0	10	BJAE	
CC1CCC(=C2CCCNC23CCCCC3)CC1	2083808697	HKCDRKDBPDVJLH-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCC[C@H](C)[C@@H](O)CCCCCCC1CC1	2210526791	JIVGWXQYABQPPR-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CC)CN[C@@H](C)CC	2212585952	YAVNNACSXOUFQV-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H](C)[C@H](C)CC	2212631433	PCHSXKOZJZNWGR-MNOVXSKESA-N	239.790	4.749	0	10	BJAE	
CCC[C@H](O)CCCC1C[C@H]2CCC[C@@H](C1)C2	2213297493	ARGWTCJPEDYKGY-QXULXFAOSA-N	238.415	4.534	0	10	BJAE	
CC(C)Cc1ccc(C[C@@H]2C=CCCC2)cc1	2213511113	JGZMGRVBJWODBC-OAHLLOKOSA-N	228.379	4.784	0	10	BJAE	
CC[C@@H]1CC[C@](O)(CCCCCCC2CC2)C1	2213581005	RLCCRNMVVXIVSL-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)CCCCC1CC1	2214566565	XWYXZZYVVWZBKU-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2CC[C@H]2C)cc1	2215117461	OGGJMCWTKIBZRS-GZBFAFLISA-N	232.367	4.625	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H]2CCCC[C@@H]2C)CC1	2215821190	MFNAZQWALMIDQY-LZWOXQAQSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@H](CN[C@H](C)CC)C1CCC1	2217157135	QMMRZSMEHSGPLS-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
COc1ccc(C[C@H]2C=CCCC2)cc1C(C)C	2218083643	ISMJHEKQPOTHOW-AWEZNQCLSA-N	244.378	4.717	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218323807	ZIWVBXFGRUWFSP-XJIUQZFPSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)(C)C1)c1ccco1	2221014177	ALDLOPBLRAGEQH-ZDUSSCGKSA-N	249.398	4.537	0	10	BJAE	
CC(C)CC1([C@@H](N)CC2(C)CC3(CCC3)C2)CC1	2221033634	NYKVELCOFKUMBI-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2CCC[C@H](C(C)(C)C)C2)CC1	2222269582	SHVOKVKWKHSYLF-HRCADAONSA-N	249.442	4.680	0	10	BJAE	
CCCCCC[C@@H](NC)c1ccc2occc2c1	2224175399	AUAFPLRDMHUAGY-OAHLLOKOSA-N	245.366	4.664	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cccc(C)c1Cl	2244775108	KSSNHMBSPUGYHC-RISCZKNCSA-N	240.774	4.508	0	10	BJAE	
CC[C@H](C)[C@@](C)(O)CC[C@@H]1CCCCC12CC2	2246641666	GZENRAMSMUWLDH-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@H](C)C1)CC(C)(C)C	2246731613	HUXDSTOUSPJVSF-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(OCCCC[C@@H]2C[C@@H]2C)c(C)c1	2247117200	CMGOAKMDSVVHHI-DZGCQCFKSA-N	232.367	4.509	0	10	BJAE	
CCCCC[C@](O)(CC)CCCC[C@H]1C[C@@H]1C	2247129391	NWSFHZVFFFGDEH-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1CCC=CCC1)NC	2250352087	JHRGFIZLJKVBDS-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](C)(CN)CC[C@H](C)CCCC(C)C	2250466959	LYUAXJNQWBPYFP-HZPDHXFCSA-N	241.463	4.994	0	10	BJAE	
CCCC[C@H](CC)CN[C@]12CCCC[C@@H]1CC2	2251133326	GMOVEMVAHAXYRX-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC[C@]12CCCC[C@@H]1CC2)NCC	2251192964	CUGZZNCWLJOORS-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@H](N)C1CC(CC(C)(C)C)C1	2251545471	XIEMRIOHNUQFFT-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H]1[C@@H](NCC)C(C)(C)CCC1(C)C	2251722799	UMBFMGIXDDKIQR-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C23CCC(CC2)C3)C1	2253935900	BOJWJPBVBYAFBO-LXTOLFJKSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)CCC23CCCC3)C1	2253999681	YHEGKQRVWKDOAP-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC1([C@H](N)CC2CC3(CCCC3)C2)CCCCC1	2254109785	CDYMEISIQCPQME-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CCCCC1CC(N)(CC2CC3(CCCC3)C2)C1	2254115831	QRYGVWCIXOWVGN-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)CC1CC2(CCCC2)C1	2254122477	GAQJXIKFODLVTH-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCC[C@@H]1C[C@H]1C)[C@@]1(C)C=CCCC1	2254536655	SADKUCYVOFBYFZ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1=CCCCC1)[C@@]12CCCC[C@@H]1CCC2	2255060949	BEGJGDGAGXQVHZ-NVXWUHKLSA-N	246.394	4.807	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC[C@H]2CCCC23CC3)C1	2255252529	BBORYFXWODTFQR-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CCCCC12CC2	2257249943	XRKHXRYGTAAGQT-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1[C@H]2CCCC[C@H]21	2257311557	MVJAUNWQAGSFGJ-NMNMXBMNSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1cccc(NC2CCC=CCC2)c1	2257863424	AYKGXVUXPVCCHT-UHFFFAOYSA-N	243.394	4.895	0	10	BJAE	
Cc1cc(N[C@@H](C2CCC2)C2CC2)cc(C)c1C	2258240640	SROKGHWZBQRDPK-KRWDZBQOSA-N	243.394	4.602	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@]23CCCC[C@@H]2CC3)C1	2260530699	ISNPLHMUJNAGJX-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(CC(=O)C[C@]23CCCC[C@H]2CC3)C1	2260627420	UYDVQCGWNINLEK-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@]23CCCC[C@@H]2CC3)C1	2260680198	WFOTYXKCMWEYAI-QBPKDAKJSA-N	249.442	4.645	0	10	BJAE	
CC[C@@](C)(C(=O)C[C@H](C)CC(C)(C)C)C(F)F	2299830130	BBSDXSZQALOGNM-HZMBPMFUSA-N	248.357	4.699	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)C1(C)CCC1	2300678940	OMMYBULQMXDTRI-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1CCC(CC)CC1	2300680213	BGKVJTOGEYQZRA-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@H](C)C1CCCC1	2300683710	MNDNFIWADRIZJW-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@@]1(C)O)CCCC(C)C	2300892225	ARFRGJFJEDUMFU-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@H](O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301136502	XYZYZKGRRDRXCT-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@](C)(O)CC1CCCCC1	2301866244	GAAGYIIXMZBULH-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@](C)(O)CC1CCCCC1	2301866245	GAAGYIIXMZBULH-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@@H](C)[C@H](C)C(C)C)C(C)C	2301965727	WPEMCYVPXCHDOA-ILXRZTDVSA-N	240.431	4.802	0	10	BJAE	
CC[C@H]1CCCCN1CCCC1=CCCCC1	2302351841	MTSMNXQKXSGHDE-INIZCTEOSA-N	235.415	4.532	0	10	BJAE	
CC1(C)CC[C@@H](C[C@](C)(O)C2CCCCC2)C1	2302893149	SIGIBANGHIHFCF-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C[C@@H]1CCC(C)(C)C1	2302903389	ZEHJGTCMJFCFAU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@@H]1CCC(C)=C(C)C1	2303520101	AECXFIOGXQXTJT-OWCLPIDISA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@H](Cn2cc(C)c(C)c2C)CC1	2303526308	QECRBMHHPHQSJD-MRXNPFEDSA-N	231.383	4.550	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1cccc(C(C)C)c1	2303660597	GRIIGDKIBWVDJV-XJKSGUPXSA-N	233.399	4.636	0	10	BJAE	
CCC[C@@H](C)CCNCC[C@H]1CCC(C)(C)C1	2304369690	OANYRGNSUCAKBQ-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2CCC(C)(C)C2)C1=O	2304420724	PLRXBGOEOFNUBB-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H]1CC[C@@H]1CC(C)C	2307752304	PWMXYTSEHUEBLS-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCCCC1(F)F	2307835939	URFDWNMITAKOJN-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
C[C@H]1C[C@@H](CCC[C@@H]2C[C@H]2C)Nc2ccccc21	2310427097	STHKAFCKYHYAMB-LXTVHRRPSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)C[C@H]1CCCCC12CC2	2312661967	CXGUNFLIPJXLDT-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC(=CCNC1CCC(C(C)(C)C)CC1)C1CC1	2315263813	AYWDWBBRNSRFKI-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@@H](O)CCc1ccc(C)cc1	2316249318	YTXQMWMUPYTHHM-QGZVFWFLSA-N	248.410	4.505	0	10	BJAE	
CCN[C@H](CCCC=C(C)CC)c1ccccc1	2316563373	NJGARISAYZYULM-QGZVFWFLSA-N	245.410	4.864	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CC1CCCCCC1	2316883112	GFCAIMVXAHCVHW-XIRDDKMYSA-N	249.442	4.667	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316885144	PLHACPUJZXGSLO-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@@H]1CC12CCCC2	2317004851	QTDLXMFFXGWGJH-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H]1C[C@H]2C=C[C@H]1CCC2	2317120305	YFHUHYDLWFILSD-UTSKFRMZSA-N	249.442	4.536	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317154044	DQKGTPCQUJFTIL-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)[C@H](C)C(C)C)cc1C	2317664644	MVKXLZQDXWBODJ-OAGGEKHMSA-N	247.426	4.635	0	10	BJAE	
COc1ccc2c(ccn2[C@@H](C)[C@@H](C)C(C)C)c1	2317827908	OLUISGBVQFELGU-STQMWFEESA-N	245.366	4.503	0	10	BJAE	
CCC1(C)CC(Nc2cc(F)ccc2C(C)C)C1	2317922609	LEEOHYJKCQATHE-UHFFFAOYSA-N	249.373	4.940	0	10	BJAE	
C[C@@H]1[C@@H](Nc2cccc3ccccc23)CC1(C)C	2318173768	AIRCUJCULLMLME-WBMJQRKESA-N	239.362	4.686	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CC[C@@H]2CCC[C@H]21	2318551574	QNOLPEMTTGHDJM-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(N(C)CCCC2=CCCCC2)cc1	2318586298	ICYFSLFAQZMBLF-UHFFFAOYSA-N	243.394	4.712	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C[C@@H]1C=CCCC1	2318879653	DKCMMSBXTPONKD-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)CC1CC2(CCC2)C1	2320155908	FZOYDDMXLNRVIF-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CN2CCCCCC2(C)C)CC1	2320399140	QUNCHNMZLBUIAQ-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2C(=O)C[C@H]3CC[C@H]2C3)C1	2321649053	NFDLMLGDHMOFCJ-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1cc(C)ccc1C(C)C	2327786771	NHJHVIGKPAYNEK-KRWDZBQOSA-N	245.410	4.735	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1coc2ccccc12	2328104498	IWYHXPRUQVZEMA-LBPRGKRZSA-N	244.334	4.832	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1cc2ccccc2o1	2328212024	CYVBJVSAHQHPMB-GXTWGEPZSA-N	246.350	4.683	0	10	BJAE	
CN[C@@H](CC(C)C)c1c(C)c(C)c(C)c(C)c1C	35467692	LNPPGYRGJMAWLC-INIZCTEOSA-N	247.426	4.535	0	10	BJAE	
CCC[C@H](C)Nc1cc(C(C)(C)C)ccc1OC	36953818	WKURFBNTKXUIKO-LBPRGKRZSA-N	249.398	4.593	0	10	BJAE	
COc1c(C)ccc(N[C@H](C)CCC(C)C)c1C	37125797	SXZRELPIGZJIKL-CYBMUJFWSA-N	249.398	4.549	0	10	BJAE	
CC[C@H](Nc1ccc(Cl)c(Cl)c1)C(C)C	37200399	HDAIBRSWCRPUPP-LBPRGKRZSA-N	246.181	4.840	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cccc(C)c2C)C1	71106007	OHXXNEKMEMICNW-GJZGRUSLSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CC[C@H](NC)C(C)(C)C	80421354	ADFWLRTXANJAMA-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CCC[C@@H](NCC)c1ccccc1	80424827	PNLRKECPFKHOQD-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
CCCC1CCC(O)(C2CCC(C)CC2)CC1	85076960	HHIAUEUOZAKROU-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Oc1ccc(Cl)cc1	85150175	OFIRNDYBXYHSBH-BXUZGUMPSA-N	238.758	4.688	0	10	BJAE	
C[C@H]1CC[C@H](Nc2ccc3ccccc3c2)[C@@H]1C	86078865	QNRFIHJIJCXVOQ-AHIWAGSCSA-N	239.362	4.686	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCc2ccccc2)CC1	86922018	ZEECWETZYCYNCD-NVXWUHKLSA-N	245.410	4.525	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)c2cc(C)c(C)cc2C)C1	88010714	GOGMZYQEIYWUMD-HUUCEWRRSA-N	244.378	4.621	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCCC2(C)C)CC1	94322511	CWXCXTJLRZTUAR-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](N)c1c(C)c(C)cc(C)c1C	97467979	ODEHSIZVNXLXEH-MRXNPFEDSA-N	247.426	4.890	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)C(C)(C)CC)cc1	104046185	RVIQTDWHWZYVSZ-SWLSCSKDSA-N	234.383	4.670	0	10	BJAE	
CCCN[C@H](c1ccccc1)C1CCC(C)CC1	109738247	RTOZCCISUGSVQZ-BDVYOWHSSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@@H]1CCCC[C@@H]1CC	111747530	HGSLHEMZFFPFDD-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC1CCCCCC1)NCC	124694568	APGBEUDQOKIPSF-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@H](N)CC1CCCCCC1	124878962	IRFQOAOVVTXDGT-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)c1ccsc1	128053486	GFOBKSFIWBYFFN-AWEZNQCLSA-N	239.428	4.615	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)C1CCC1	131161374	CAUCXNKHRYCIKV-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Fc1ccc(-c2cccc(-c3ccccc3)n2)cc1	140121414	VWWPYAADEDFQEF-UHFFFAOYSA-N	249.288	4.555	0	10	BJAE	
C/C=C/CCN[C@@H]1CCC[C@H](C(C)(C)C)CC1	161700868	OPQARDZATPOVDG-ICWYTKJFSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)C(=O)[C@H]1CCC[C@H](CC)C1	166305180	RVZNCWBFVSQCSL-ZFWWWQNUSA-N	238.415	4.988	0	10	BJAE	
CCCC(CCC)C(=O)CCC(C)(C)C	168129189	AZNDNSWSKLZFBJ-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)CCOC1=CCCCC1	207478274	NIOXZUNIZKKRNM-UONOGXRCSA-N	224.388	4.779	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H]2CCC[C@@H]2C)c1C	226523912	NJQMFPACGMJDOW-ZUZCIYMTSA-N	244.378	4.539	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@H]1CCCC1(C)C	226827427	HIHQYWFTDUYYIX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@@H](CC)C1	226933691	FCFCUEBGGZYYHG-ARFHVFGLSA-N	239.447	4.904	0	10	BJAE	
Cc1sccc1C(=O)C1CCCCCCC1	227774849	TYFWVHYXPOBPKW-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CC1CCCCC1	229330232	YBQRDHODJFXZNV-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)CC1CCC1	229690010	PQWMOGPNWXXBRI-ZDUSSCGKSA-N	231.383	4.548	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C2CCCCC2)C1	230787732	ZYYUEUKEEDVRHD-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC([C@@H](NC)C2=CCCCC2)CC1	232901009	STRWILBRZFEUOM-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1CCCC1)C1(C)CCCCC1	233161136	DBTMQBPVBFDKOB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H](C)[C@H](C)CC)CC1	251416373	XXVYIJOPSGJDTE-QXSJWSMHSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](N[C@@H](C)[C@H](C)CC)c1ccccc1	252408962	JQYGMMBIJJNTSC-YCPHGPKFSA-N	233.399	4.552	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CC[C@@H](C)[C@H](C)C1	253040566	KNHJGSFDJXPBCR-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
c1ccc([C@H]2CCCCN2)c(C2CCCCC2)c1	258230832	FTOHAEKVQHTMEX-QGZVFWFLSA-N	243.394	4.549	0	10	BJAE	
CCN[C@@H](c1cc(C)c(C)o1)C1(CC)CCCC1	302395243	ODUBYDPNUZDXBT-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](CNC(C)(C)C)CC(C)C	302535592	HJHWYVGHHBMRNM-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@](O)(C1CCCCCC1)C1CC1	302561913	YPADRFUVZYXNGB-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(c1nc(C(C)(C)C)cs1)C(C)C	304460094	ZUXPIMLURBERFY-UHFFFAOYSA-N	239.428	4.836	0	10	BJAE	
Cc1ccc(Cl)c2c(Cl)csc12	306901333	NUOOLXVOOCQSIC-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
C[C@H]1CCC[C@H](CNCC(C)(C)C2=CCCC2)C1	308760615	XGDHXWMXPZRFLQ-GJZGRUSLSA-N	249.442	4.539	0	10	BJAE	
CC(C)Cc1nc(C(C)C)sc1C(C)C	308916770	IOYSQSIFBDWQGV-UHFFFAOYSA-N	225.401	4.588	0	10	BJAE	
CC1CCC(C[C@@H](N)C[C@@H](C)C(C)(C)C)CC1	310530428	PVSKPQHNWQQQKL-JYVUQVBGSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@H]1CCCCC12CCCC2	310904101	WTWWDZLGCWMUPR-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCCC[C@H](N)c1ccc2ccccc2c1F	310930420	CBWRBPMXDSSYKE-HNNXBMFYSA-N	245.341	4.559	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2[C@H]3CCCC[C@H]32)CC1	310948096	LHZSTJQDNKWWCR-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1(CN[C@@H]2CCCC23CCCCC3)CC1	313020167	AENSGYQERCOBBI-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@]1(CNCC)CCC[C@H](C)C1	317533279	QVZFMJQIJJCYNY-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
CCCCCC[C@@]1(CNCC)CCC[C@@H](C)C1	317533280	QVZFMJQIJJCYNY-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@]1(CNC(C)C)CCC[C@H](CC)C1	317710882	IDLXFELHXQCCJG-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCCC1(CNCC)CCCCCCC1	317810678	XTMPBHULZWLUME-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
C/C=C/C[C@]1(CNC(C)C)CCC[C@@H](CC)C1	317813190	BFFSWQXLKJKVON-KJKYUDHTSA-N	237.431	4.537	0	10	BJAE	
CNC[C@@]1(CCCCCC(C)C)CC[C@@H](C)C1	317991028	MZWJLUYIGBHLRS-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](CC)[C@H]1C[C@H]1C	321043829	FTSYFFIVXVILEV-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C1CCCC(CN[C@@H](C2CCC2)C2CC2)CCC1	324973141	QGADAQZBWMWKBF-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCc2sc(-c3ccccc3)nc21	383238001	CKFJHZOIDKIPTA-LLVKDONJSA-N	243.375	4.640	0	10	BJAE	
CC1(C)CCC(CC(=O)CC2CCCC2)CC1	383679692	OKLBRRYUPZCZCJ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@H]1Nc1cccc(C(F)F)c1	386191686	QCDODHQDPZIFDQ-GFCCVEGCSA-N	239.309	4.615	0	10	BJAE	
CC(C)C(C)(C)CN[C@H]1C[C@H](C)c2ccccc21	386396149	WBZWAOYXUBUIPE-BBRMVZONSA-N	245.410	4.507	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cscc2C)c(C)c1	387326611	NUUMVLZSHKIKHV-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CCCc1cccc(C(=O)[C@H]2C[C@@H]2CC(C)C)c1	388106625	XVNAODOXPDJZCE-HOTGVXAUSA-N	244.378	4.504	0	10	BJAE	
CCCC1(CN[C@@H]2CCCC[C@@H]2CC)CCC1	391808070	LUQARMOOPJUBLT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)c1nc(C(C)(C)CC)cs1	395243251	WOECTTASDXHDBC-UHFFFAOYSA-N	225.401	4.734	0	10	BJAE	
CSc1cccc2sc(C(F)F)c(F)c12	396232728	CRPXFESYQKRDNB-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCOc1cc(C)c(C(F)F)c2ccsc12	396254735	VZUKACUFPYYGQB-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1csc2cc(C(F)(F)F)c(C)cc12	396309891	UXNWHWFWBHIVKF-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
O=C(CC1CCCCC1)C[C@@H]1C[C@H]2C=C[C@H]1CC2	402157162	OMNJIMSRRIHYHM-JYJNAYRXSA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C[C@H]1CC=CCC1	402192459	ADOILGJQGDVXIR-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@H](N)CCC(C)(C)C2CC2)c1C	405744225	QBZCIPFWPWAOCC-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](N)CCCC1CCC1	688357655	JMOJZNRTPWXWRM-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
N[C@H](CCCC1CCC1)CC1CCCCCC1	688358533	LPAWBXKUVDSTDF-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CN[C@@H](CCCC1CCC1)CC1CCCCC1	688392948	KSHXYYHRCNHFFD-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(CNc2ccc(C3CC3)cc2)cs1	690088702	MXNRPMNMACHFGY-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CCCC[C@H](CC)CC1(CNCC)CC=CC1	690487395	ZOZCCZSVIBMQGM-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](C1CCCC1)[C@@H](CC(C)C)NCC	695104010	XKZQVGNODYUSDI-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(CC2CC=CC2)CC[C@H](CC)C1	700921132	IVNUOMYSPLOBME-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCCc1cccc([C@H](O)[C@@H](C)CC(C)(C)C)c1	704687275	WHRLEIAIWCDJLE-XJKSGUPXSA-N	248.410	4.745	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@H](C)CC(C)C)cc1	704742236	RBFLXDJEMSTWAW-JJRVBVJISA-N	248.410	4.916	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C1CCCCCCC1	704936734	OPUYLTSIZIHXOC-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H](C)c1ccccc1)CC(C)(C)C	709127401	QKDNKVHJURJRRN-YCPHGPKFSA-N	247.426	4.580	0	10	BJAE	
CC[C@H](CNCC(C)C)C[C@H](C)CC(C)(C)C	709128631	SKIFAALIUWLRJP-GJZGRUSLSA-N	241.463	4.721	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(C2CC2)cc1	709671116	HQRJYTBRUBPMPI-AWEZNQCLSA-N	217.356	4.555	0	10	BJAE	
CCc1ccc([C@H](N)C[C@H](CC)C(C)(C)C)cc1	711048038	BPVIFIOQSJSWSE-JKSUJKDBSA-N	247.426	4.711	0	10	BJAE	
CCCCCC[C@]1(O)CC(C)(C)CC[C@H]1C	713022239	FBQPMQMNSAUDDU-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CC(C)(C)CC[C@@H]1C	713064139	HQSKLBBOSDRUHB-WFASDCNBSA-N	249.373	4.761	0	10	BJAE	
CCC(C)(C)C[C@]1(N)C[C@@H](C)CC[C@H]1C(C)C	713241757	GQAMXYWJKKBEIW-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@H]1CCCc2ccccc2C1=O	713306611	LJANZSJIKRVGAW-CQSZACIVSA-N	244.378	4.648	0	10	BJAE	
CCC(C)(C)C[C@@H](CCC(C)=C(C)C)NC	718542849	UUGZJNZCDWFGEW-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CC/C(C)=C\CCNCC(C)C	718622741	DKJIWURRZNYCRR-NVNXTCNLSA-N	237.431	4.705	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCCC(C)(F)F)CC1	718655154	SOCITDJAOCOUAZ-HAQNSBGRSA-N	246.341	4.597	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCCC2(C)C)c(F)c1	719259247	IQOJYITXHUXHNK-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
C[C@H](C[C@@]1(O)CCCCCC1(C)C)C(C)(C)C	719283013	BPARFOMAPBTZIV-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)C(C)(C)CC	723536251	XAIGXDHZMXUIGU-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H](C(C)(C)Br)CC(C)(C)C1	725261332	HNMAVCHNTCFHKF-ZJUUUORDSA-N	247.220	4.622	0	10	BJAE	
C1=C(CCNCC2CCCCCC2)CCCCC1	1461423676	QDAJVXZTUHVSCD-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CCCC[C@@H](C)N(C)Cc1c(C)cc(C)cc1C	1643310020	ZHTFQVDIZRHLAR-MRXNPFEDSA-N	247.426	4.622	0	10	BJAE	
CCc1ncsc1-c1cccc2ccsc12	1901571854	WOXVJDXWYYFSFQ-UHFFFAOYSA-N	245.372	4.587	0	10	BJAE	
CCCCCCC(=O)[C@H]1CC[C@H]1C(C)(C)C	1902731749	OCZYLVARAKMNNJ-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@](O)(CC)C1CCCC1	1905367859	BSECURZTFYZEOP-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H](CC)CCC	1905381619	LFOCATDVYVIEOM-LSDHHAIUSA-N	228.420	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H](C)CC(C)(C)C	1905441677	AJMQJBITDDQBFK-RDBSUJKOSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C1(C)CCCCCC1	1908544500	GKQOHMQIOHAJGX-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@H](C)CC[C@@H]1CNC(C)C	1911842298	LKOOGKDXBZKQOX-BRWVUGGUSA-N	249.442	4.559	0	10	BJAE	
C=CC=CCC[C@@H](NC)C1CCC(C(C)C)CC1	1912107666	ANDVMQYQFOCIPT-OFLPRAFFSA-N	249.442	4.559	0	10	BJAE	
CCCC[C@@](CC)(CCCF)CNC(C)(C)C	1913253279	RTSLBAYOIVVURE-HNNXBMFYSA-N	245.426	4.711	0	10	BJAE	
O=C1CCCCCCCC[C@H]1[C@H]1C=CCCC1	1913391389	VKVNCJUUBOGAHM-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CCC(C)(C)C1N[C@H]1CCCC12CCC2	1921504130	SLKKROKSOZMGFZ-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@]1(CNCC)CCCC12CCC2	1921595636	QHXWSXOICAZICA-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CCC(CC)C[C@H](C[C@H](C)c1ccccc1)NC	1926382531	RCYJYJCLHMTBMC-YOEHRIQHSA-N	247.426	4.595	0	10	BJAE	
CCCCCC[C@@H](CCC1(C)CC1)NCC	1935876567	NAJNGVVZEFDLLO-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CCC(C)=C(C)C	1936210037	WFCOPARAQNKYIZ-GJZGRUSLSA-N	225.420	4.523	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)CC1(C)CCCCC1	1940414201	IEBYFPYUCOTRIX-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CC[C@H]1CC1(C)C	1940853240	MBJCOOBZZMEYGL-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CC1(CCC[C@H](N)CCC2CCCCC2)CC1	1940873871	CSAWPGVFEMCALN-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H](CCC)C(C)C	1941273384	QVEVYRKMYLJXPJ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C(C)(C)CC	1941827210	WISAEQCBVOSRQK-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)C(=O)c1ccccc1CC(C)C	1941843380	BKISUMYYXGJUOG-CYBMUJFWSA-N	232.367	4.504	0	10	BJAE	
C[C@H]1CC(C(=O)CCCC(C)(C)C)C[C@H](C)C1	1943046657	LVPWIYDORUSDBJ-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
C[C@H](CC(=O)c1cccc2sccc12)C1CC1	1945969923	JCMODHPIXZECCA-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
Clc1cccc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)c1	1946336921	LQGXJHYEHOEBOD-BYCMXARLSA-N	249.785	4.721	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC(C)(C)CC(C)C)C1	1946979837	RSJWQCXJCRDRME-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc(F)c(C)c1	1947466324	TULIQKNWHWKNND-IUODEOHRSA-N	235.346	4.515	0	10	BJAE	
CCC(F)(F)CCC(=O)CC1CCCCCC1	1948001555	SGFKVNUVFZOVRR-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCCN[C@@H](CCC)CC1=CCCCCCC1	1948846145	HNAIRZJDGKAUGH-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CCCC1([C@H](N)C2=CCCCCCC2)CCC1	1948949135	DWDFBKGMNQWVQO-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
NC1(C2=CCCCC2)CCCCCCCCC1	1948970517	LNOBYAPLJMYLKE-UHFFFAOYSA-N	235.415	4.709	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CCC(C)(C)CC	1949012938	DLBTXKKRTMZNJH-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC(C)(C)C1)C(C)(C)C	1949551290	JFLJHBBACOOPEB-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)[C@@H](N)C1)CC(C)(C)C	1949659653	FKMTVIDGEHHPQJ-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)C(C)(C)C	1949833755	ZDDNUDGDCWJPDW-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1C[C@@H]2CCC[C@@H]2C1	1950296397	OMBYARXCDSDYNE-CLLJXQQHSA-N	249.785	4.639	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CO)CCC[C@H](C)CC1	1950910387	GCVFRRNQQITAKP-HOCLYGCPSA-N	238.415	4.702	0	10	BJAE	
CCC(CC)[C@H](C)NCC[C@H]1CCC[C@@H](C)C1	1963157254	PVSPIEUPMJEOBR-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CN(C)CC1CCC(C)(C)CC1	1964261662	OAWDERZOLDZKTG-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
C1CCCC(CNCC2(CC3CC3)CC2)CCC1	1965962592	XETQRSSVRUDXLD-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)C2CC3(CCC3)C2)c1	1968230751	VJPXCMCHSKPSCM-CQSZACIVSA-N	243.394	4.684	0	10	BJAE	
CC1(C)C[C@@H]1CN[C@H]1CCCC2(CCCCC2)C1	1969588485	CRPZTZAXHCUNCR-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CCC)NC1CC(C(C)(C)C)C1	1971388540	CPGKLMTYVODTAI-SHARSMKWSA-N	239.447	4.760	0	10	BJAE	
CCCCCCN[C@@]1(C)CCCCC1(C)C	1976543562	FUMICEBCCCCOLE-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1cc(C)cs1	1995211275	LMPHVPXJBBQIAM-NSHDSACASA-N	238.396	4.846	0	10	BJAE	
CCC/C=C/CNc1ccc(CCCC)cc1	1995867210	NHOJYUYPKMXRIN-BQYQJAHWSA-N	231.383	4.797	0	10	BJAE	
CCCCCC[C@@](C)(O)C1CCC(C)(C)CC1	1996561812	PKMJWGREDOGUKT-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CC(C)(C)C2)cc1C	1998659069	XBIOZTQPKQCOQY-ZDUSSCGKSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@@H]1CCC(C)(C)C1	2000506471	BBUJKDMIMVXLOZ-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CC1(C)CCCCC1)C(=O)O	2000512479	RVGVTKGTFUWVKP-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CCCC[C@H](CC[C@H]1CC12CCCCC2)NC	2001214857	GCGMYLXZKDBJDS-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C1CCCCCCCCC1)C1CC1	2001973442	NCFUMZQUIFJOJC-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC=C[C@@H](C)N[C@@H](C)C1CCC(CCC)CC1	2002923477	GKFPFKQZLGLQHY-QVOMUQBLSA-N	237.431	4.536	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](O)CC2(C)CCCC2)C1	2002972215	PXKRYVWYHFMKED-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CCCC(C)(C)C1	2002983117	KRWUIXHECBHQKF-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC=C[C@H](NC)[C@H]1CC[C@H](CCCCC)CC1	2003069425	XURGPVBOMSCOFX-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCCCCCC[C@@H]1O	2003115359	AGJDGXYCQUQYFG-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CC1(C[C@H](O)CCCCCC2CC2)CCCC1	2003179722	RTBUOMDWRGWEQP-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@@H]1CCCC2(CC2)C1	2003201857	ZBMKDPZCKCVNTE-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@@]1(C)C=CCCC1	2003329027	HXQXOMPLIJBEMO-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@]1(C)C=CCC1	2003330028	PEAGHDVZKONFBE-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@@]1(C(CC)CC)CCCCC1(C)C	2005584492	XCOCSTNCIVAAHL-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1C[C@@H](O)C[C@@H](CC2(C)CCCCC2)C1	2006657212	HDMNCYUKGJZLIX-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)C1(C)CCC(C)CC1	2007689068	OCVLEZUSXOVFKQ-PYBGIAKNSA-N	239.447	4.602	0	10	BJAE	
CC1CCC(C)([C@H](O)CCC2CCCC2)CC1	2007695927	KTOHEWSOETYQJZ-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
CSc1ccc(NCC2CC(C(C)C)C2)cc1	2007807271	JNNWCPKMBJKXLA-UHFFFAOYSA-N	249.423	4.503	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](C=C1CCCCC1)NC	2007942311	IVPYKEUPVBCXMZ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@@H]1CCC[C@H]2C[C@@H]12	2008271131	CZVQZCOQOGQFQE-YDHLFZDLSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](N)[C@@H](CC2(C)CCCCC2)CC1	2009405582	AFCGFHLKNFINJB-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CC[C@H](C)CCC2=O)C1	2009411011	MTVNRFZKKOENHO-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCC[C@H](CC(C)C)C1	2009572183	LDHLRWFNPILMKG-SGFLJFKBSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCCC(C)(C)[C@H]1CC[C@H](C)CC1=O	2009576192	JDLFJJVLHFXFPZ-BEVHLOIGSA-N	236.399	4.764	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(N)CCCCCC12CC2	2011273522	BXZRIRJQQFSRDG-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@@](CC)(CNC1CC1)C(C)C	2012420925	GWJLAARMXGQRMT-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)C[C@@H](C)C(C)(C)C	2013308611	HYPSZAKLSFKLSH-CABCVRRESA-N	241.463	4.815	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1CCC1(C)C	2014845364	FBPONTVMHCSKJO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)c1cccc2ccsc12	2015279448	XKVGOEDKJXQLQK-RISCZKNCSA-N	247.407	4.583	0	10	BJAE	
CCC1=CCC[C@@]1(N)CCC(C(C)C)C(C)C	2015389393	VJCBNHUWIILIAM-MRXNPFEDSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H](CCC)CCC(C(C)C)C(C)C	2015401517	STZGMQDDGMFLCB-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(NC[C@@H]2CC23CCC3)c(C)cc1Cl	2015536928	GFHUNCBAZLBKDH-LBPRGKRZSA-N	249.785	4.559	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C1CC1)C(C)(C)C	2016146493	XGZCNKHKOVIZIX-DZGCQCFKSA-N	237.431	4.536	0	10	BJAE	
CC[C@@](O)(CC1(C(C)C)CCC1)C1CCCC1	2017115626	ZZJLTWOQBYZFQA-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCCC(C)C)C1(C(C)(C)C)CCC1	2017130692	GEYVJKZYOJWJSF-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)CC[C@H]1C[C@H]1C)C1CCCCC1	2017246357	RQEOFWABMGTLAK-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1(CC)CCCC1	2017485678	GQHDACKAMZPTPL-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC1CCC(C[C@@H](C)[C@@H](CC)NC)CC1	2017730575	ISXCLUZDCLCPND-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(N[C@@H](C)C(C)(C)CC)cc1C	2017745913	GKZKJGNJYRVBNL-ZDUSSCGKSA-N	233.399	4.794	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2C[C@H](C)CCC2=O)CC1	2017775934	IPCDBWZOPRUIAF-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCCN1CC[C@H]1CC(C)(C)C	2019344538	OKOXGTLWAGIJNH-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC[C@](O)(CCC1=CCCCC1)CCC(C)C	2019767345	LHIQMXJHKBUYBC-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1CCCCCC1	2020965276	KTKRHYATQZQVQK-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1CC(CCC)C1	2020967143	QXUNRJXBDIFDRS-AVVWSFFYSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H](CC)CCCC	2020972946	YFGUMAOMJIATOR-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CCC[C@](O)(CC)C[C@H]1C[C@@H]1C1CCCCC1	2022452258	VLPPZYOFIMDCIA-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C=C1CCC1)C[C@@H](C)CC(C)(C)C	2022684207	SWPZCAFBDIBKIQ-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CCCCC(C)(F)F)C1	2023354124	WFPSOOIKNOHJIB-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCC1CC(C[C@H](CCC(C)(C)CC)NC)C1	2025433143	OZDDWUFNWNGEMF-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)Cc1csc(C2(CC3CCC3)CC2)n1	2026529449	PIMLKHKZSVFGIM-UHFFFAOYSA-N	249.423	4.563	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)c1cccc(C(C)C)c1	2028256721	BTFOZVUUMKZKNQ-IAGOWNOFSA-N	247.426	4.882	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NCC)c1ccc(C)cc1	2028265031	QMBBJJHOBPSUBB-IAGOWNOFSA-N	247.426	4.718	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)c1ccccc1C1CCC1	2029076044	WTIDZACMEFZGIR-AHIWAGSCSA-N	245.410	4.636	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)C2(C)CC(C)C2)cc1	2029106836	XCPNBBGQNAJDNK-RMXWBMAESA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(C(=O)[C@@]23CCCC[C@H]2CCC3)cc1	2031850733	KNFDLZDCYNXFCJ-DOTOQJQBSA-N	242.362	4.538	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CC1)C1=CCCCCC1	2032160662	WONXCVAKRXQPDL-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C(=O)C(C)(C)C2CCCCC2)oc1C	2032298428	ZESGZXBFTRAGNJ-UHFFFAOYSA-N	248.366	4.686	0	10	BJAE	
CCc1ccc(C(=O)C(C)(C)C(C)C)cc1CC	2032305191	DYGJODXEVAESDU-UHFFFAOYSA-N	246.394	4.676	0	10	BJAE	
O=C1[C@H](CC2CCC=CCC2)C[C@@H]2CCCC[C@@H]12	2034262313	ZREUXKAPHWJEOX-ARFHVFGLSA-N	246.394	4.518	0	10	BJAE	
CCNCC1(C2CC3(CC3)C2)CCCCCCC1	2036181998	IUIIUUGLRPEETF-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1ccccc1C1CC1	2037105993	XCNPCGMOMZTSKU-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC1(C)C[C@H]1CCCC1(N)CCC2(CCC2)CC1	2037176651	UXRUJJLEYAKXGT-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](CNC1CC1)[C@@H]1CCC2(CCCC2)C1	2037706474	XVJKAHRBQBGMOB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2C=CCCCC2)CC1	2039374203	KLEHXZWYFCABOS-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC=CCC1)C1(CC)CCC1	2039719757	KWWMGODNQPZZBE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@]2(C)CC=CCC2)c1	2042072011	LVUQBYHEDFPVGM-DLBZAZTESA-N	244.378	4.590	0	10	BJAE	
CC(C)=C(C)CCC1(CNC(C)(C)C)CC=CC1	2042089981	VYTKYSZHCPIZDR-UHFFFAOYSA-N	249.442	4.847	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1ccc(CC(C)C)cc1	2045585252	RMLIXRQUYAHAEU-ZIAGYGMSSA-N	246.394	4.750	0	10	BJAE	
CC(C)=C(C)CCN1CC[C@H](C)c2ccccc21	2046580060	YIQGQPVMGAYFPM-HNNXBMFYSA-N	243.394	4.747	0	10	BJAE	
CCC(=O)c1ccc([C@@H]2[C@H]3CCCCC[C@H]32)cc1	2049170663	NGRPVDXXTWAHBL-QLPKVWCKSA-N	242.362	4.573	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)CC2CCC=CCC2)C1	2049532814	MVLCRGWRHRLTMT-UAGQMJEPSA-N	249.442	4.667	0	10	BJAE	
CCCC1([C@@H](N)CC2CCC3(CC2)CC3)CCC1	2049846690	VPCLWHPHLZNVKO-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)CC2CCC3(CC2)CC3)CC1	2049858807	PSQQJIPQGQHVHX-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@@H]1CCC2(CC2)C1	2049867311	UEHQLDLSBBYHTB-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@@]12C=C[C@@H](CC1)C2	2049993494	XHFQUEFUCLLQKO-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C=CCCC1	2049999157	AZMQGERQBIPSAU-WBTNSWJXSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCC[C@@H]1C)c1ccco1	2050525617	PWNDRWAYLLUSAS-RRFJBIMHSA-N	249.398	4.537	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2C[C@H](C)CC(C)(C)C2)CCC1	2055544730	IVQXGKMTSFMRDJ-APHBMKBZSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)CC1CC(C2CCC2)C1	2056639293	FGBJQLKCKOFZKI-PUJMQQBBSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CC2CC(C3CCC3)C2)C1	2056665517	DPVQLDBVFZYMKJ-ADNDVJRGSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)c1ccccc1C	2056873679	PPQYZNGEFNBLMW-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CN[C@@H]1CC[C@H](C)CC[C@@H]1C[C@H]1C=CCCCC1	2058986279	AKHKSSYJZWTRRV-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](CC1CC2(CCC2)C1)NCC	2059250180	OBGUNLZKDNWYKC-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H]2CCCC[C@H]2[C@@H]1NCC	2059251840	CCQHVMBWDHKODW-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CC(N[C@@H]2CC[C@H]3CCCC[C@@H]32)C1	2059391478	CMFDFTBTMCUPCS-QTPCEWDRSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC=C([C@](C)(N)C2CCC(C)(C)CC2)CC1	2060912132	CFWAXSVGUQTXAL-GUYCJALGSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)C1(CCC)CC1	2060928286	DIESWZYOZSJPFQ-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@@](O)(C2=CC[C@@H](C(C)(C)C)CC2)CCC1	2061100147	UYGSPWSGDYJVSG-RHSMWYFYSA-N	248.410	4.620	0	10	BJAE	
C=C=CCC[C@H](NCCC)C1(C)CCCCCC1	2061561434	ROHJLCIBTZKHBA-INIZCTEOSA-N	249.442	4.836	0	10	BJAE	
CC1(C)CCC[C@H](NCC[C@]23CCC[C@@H]2C3)CC1	2061576083	ZVARZPLMPQBZKX-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CC(=C2CC2)C1)C(CC)CC	2061726790	UJCLCVJUQZZTHR-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1N[C@@H]1CCCCCC12CC2	2062015893	BYGFYVKULPLTPA-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H]1CC(=O)CC2(CCC2)C1	2063719201	CCVPTSHOOCVJOZ-IJEWVQPXSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C)c1cccc(C)c1	2065990594	PBXPBCQCYAEAHS-RDJZCZTQSA-N	247.426	4.860	0	10	BJAE	
CN[C@H](C[C@@H]1CC12CCC2)C1(C)CCCCCC1	2069204484	QGPPQUAGLCYSFO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(N2CCC23CCCCCC3)C[C@H](C)C1	2070392944	ODTGSNKWHBMXCU-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1CC(CC2CC2)C1	2070396639	BUNRSSCDJFQEEF-ODIFPOPNSA-N	249.442	4.537	0	10	BJAE	
NC1(C[C@@]23CCC[C@H]2C3)CCCCCCCCC1	2070959485	POHAQHSBFQMCOH-HOTGVXAUSA-N	249.442	4.789	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@H]1C1CCC1)C1CCCCC1	2071791087	RHSZUNSMRDWBAQ-ULQDDVLXSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@H]2CCC3(CC3)C2)CCC1	2071915464	NSUQHYQESZDYNW-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)c2ccc(C)cc2)CC1	2072700768	PQLISOGQEFMRQH-DJIMGWMZSA-N	246.394	4.635	0	10	BJAE	
C=C=CC[C@@H](C[C@H]1CC[C@H](CCC)CC1)NCC	2072798612	LHANORYCGGNWHI-ULQDDVLXSA-N	249.442	4.692	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CC[C@@H]3CCC[C@H]32)CC1	2072800799	HTYNFWIXMUSOCK-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC=CCCNC2CC2)CC1	2072815568	NLFKKOQPBQRFPH-WKILWMFISA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(CC(=O)C[C@H]2C[C@@H]2C2CC2)CC1	2072870279	AIDWNZDVHCXQHZ-IDQHFDBOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N([C@H]2CCC23CCCCC3)C1	2075009686	AGYLKIZLDVYVAC-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CCc1ccccc1CN(C)[C@H](C)CCC(C)C	2075213974	VGLZPVAOSVQKAQ-OAHLLOKOSA-N	247.426	4.506	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](CC1CCC=CCC1)NCC	2079435478	OEDNYYCJDLGWCP-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(N[C@H]2C[C@H]2C2CCCCCC2)C1	2079537077	OSJADZPXHJGFBO-YZUHTNEWSA-N	249.442	4.514	0	10	BJAE	
CC1(N)CCC(C[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079703827	XAKAXZHFSHNJBH-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@H](C=C2CCC2)NCC)CC1	2080257992	XOJGNUCWHDTYMH-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CC[C@H]2C[C@H]2C1	2081788067	HUUBYJLMCDVFEP-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C2CC3(CCC3)C2)C1	2082988496	VPFDOCFAHRPCBV-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@H](CC)NC1C2(CCC2)C12CCC2	2083560714	KRRBSHJZQLYCPW-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1[C@H]2CC[C@@H]1C[C@H](CC)C2	2084509285	ABXAQXKJYQTQFJ-KSWRQPAISA-N	249.442	4.608	0	10	BJAE	
CCC1CC(C[C@H](C[C@@H]2C=CCCCC2)NC)C1	2084996514	VXXMVZKXUYDKNY-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C[C@@H](N)CCCCCCC1CC1	2210525517	RGOGCTXMOTXAPA-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC(C)[C@](C)(O)CCCCCCCC1CC1	2210527560	SXXCYBXTMVYUAL-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
Cc1cc(N[C@@H](C)CC(C)C)c(F)cc1Cl	2210738729	YVBBAHUJUBFSRO-JTQLQIEISA-N	243.753	4.634	0	10	BJAE	
CCCCCCC(=O)[C@]1(C)CC=C(C)CC1	2211855375	BQVDORFIBSDDKS-OAHLLOKOSA-N	222.372	4.662	0	10	BJAE	
CCCCCCC1(CN[C@H](C)CC)CCC1	2212586329	BHDDHJAUEHJFLK-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2213270488	FNFKMQXZFOTTLM-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@H](O)CCCCCCC1CC1	2213575809	JKYDKNYJZPTQPJ-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CC)C(C)(C)CC	2215247660	HENQZHJGWKCUKN-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(C)(C)C)[C@@]1(C)CC=C(C)CC1	2215811864	FVWGVPBWPLYSGL-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
OC1(CCCCC(F)F)CCCCCCCC1	2216468743	RWEZXXRWZJRQRM-UHFFFAOYSA-N	248.357	4.677	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)C[C@H]1CC[C@H](C)C1	2217144140	ZPZCQXIWSBCHHA-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC1CCC1)[C@H](C)[C@@H](C)CC	2217155606	DGNYDYDKABAFKC-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@H](C)C[C@H]1CC[C@H](CC)CC1	2217159296	MDAFDGZWKKACPR-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC2(CCCN2[C@@H]2C=CCCC2)CC1	2218018171	RBLCAPPDIIZXDH-OAHLLOKOSA-N	247.426	4.530	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218376101	YLQARZTXPASVPN-RZLSGREXSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1[C@H](CCCCCCC2CC2)C[C@H]2CC[C@H]1N2	2218722022	XOKADFZUMIVPQN-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2c(C)cccc2C)CC1	2221921069	HNLBGPRYTFSRPD-SHTZXODSSA-N	244.378	4.703	0	10	BJAE	
O=C(C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC=CC1	2222954798	NGARAUKYFXMOHC-IIAWOOMASA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CC[C@@H]1C(=O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222982585	UBVYMTOEDWTLAQ-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)c1ccc(C2CCC2)cc1	2223698605	AUWRDAMMKRJMFN-GDZNZVCISA-N	245.410	4.636	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)c1cccc2ccoc12	2224183790	YFBPVHMKQYLMMP-BXUZGUMPSA-N	245.366	4.505	0	10	BJAE	
CCC(O)(CC)CCCCCC[C@H]1C[C@H]1C	2243903323	SJZPONLWUYWCCO-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCCC(=O)CC[C@H](C)CCCC(C)C	2244869703	VSEDCTVIRLFQPN-CQSZACIVSA-N	226.404	4.988	0	10	BJAE	
CC1CC(C)(C[C@](C)(N)C2(C)CCCCC2)C1	2246517704	DQZNNCVHDSVJJY-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)CC1(C)CC(C)C1	2246591951	VHBSFJDRZUQCPV-CIDNJEQPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C[C@H]1CCCCC12CC2)NCC	2246615927	YRDDOACRORSIPJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@](C)(O)C1CCCCC1	2247117673	FGXORVVJZLFKBT-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1(CN)CCCCCC1	2247159718	OVXYTNHRRMTBEY-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1CCC12CCC2	2247391251	MZSUXNCZCMMKQS-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C1=CC[C@H](C(C)C)CC1	2250387675	QWYYXICGFVWGRH-OFQRWUPVSA-N	237.431	4.523	0	10	BJAE	
CNCCC[C@H](C)CC[C@H](C)CCCC(C)C	2250468552	FGODTEXIPZGLNQ-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CN[C@@H](CC[C@@H](C)CCCC(C)C)CC(C)C	2250488020	IDUYBVDWOKJMPG-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@H](C)C1=O	2250490021	DYEXPIXXMFEPMO-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CCC1CC(C)C1)C[C@H](C)CC	2251756860	GZCASNVFAIEQTO-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
O[C@H](CC1CCCC1)c1ccc2ccsc2c1	2253062361	RYARDUFVLBQMFX-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC1CC(C)([C@H](N)CC[C@H]2CCCCC23CC3)C1	2253849334	FHURGPNIWAQIOX-LVDPKSTMSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)CC2CC3(CCCC3)C2)CCCC1	2254109636	RBULWOVEZMLYGM-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC[C@H](NCCCC[C@@H]1C[C@H]1C)c1ccccc1	2254535425	PVIADVXKNWKCIU-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)C[C@@H]1CCC12CCC2	2254988538	LPDGXUJDZJASIB-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)CCCC12CCCCC2	2255015927	UCEWQGVDSMBJAP-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCCC12CC2)CC1(C)CC1	2255245771	MLABGFFOUNBYEV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)CC[C@@H]2CCCC23CC3)C1	2255323104	LKAMKGGZQWYUBH-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1C[C@H]1C1CCC1	2257316357	QPQFAMGWFSHIHC-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cc(C2CC2)ccc1F	2259127120	PXQRMKNSXIAQOU-CQSZACIVSA-N	247.357	4.694	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2CC3(CC(C)C3)C2)C1	2259570451	UAGQUDZDZQGRPT-FGIFFFEVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@]12CCC[C@H]1CC2	2260531335	BJXUGXIDHIUCMO-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(OC[C@@]23CCCC[C@H]2CC3)cc1C	2260646584	MLTZFIYGARVENJ-RDJZCZTQSA-N	244.378	4.653	0	10	BJAE	
CC(C)(C)CC1CC(CCc2cccc(N)c2)C1	2261294906	AZUCXNKIZNSETH-UHFFFAOYSA-N	245.410	4.664	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@@H](C)CC1CC1	2298858999	STJJFYJRFZIJPY-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCC1)C[C@H](N)CC1CCCCC1	2298935210	GNWGKDNREOZXDB-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCNc1cc(C2CC2)ccc1Cl	2300674015	PCHOQORUUSZBFS-ZYHUDNBSSA-N	249.785	4.675	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@]12CCCC[C@@H]1CC2	2300677023	VQJFFCPZXRXTCK-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C1(C)CC(C)C1	2300679304	ROXMMEPTLFGDFA-SIWZUTFBSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](N)C1CCCCCCC1	2300685320	DCUIBFYMLOYQCU-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@H](C)[C@H](C)CNC(C)(C)C	2300699292	FRUMQCOZEJBTKQ-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N[C@@]1(C)CCCC(C)(C)C1	2301965363	SMIPEUMSULZBJP-DZKIICNBSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H]1CCC(C)(C)C1	2302716400	NNGIGUIEYJICOI-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)(CC)NC[C@@H]1CC[C@H]1C(C)(C)C	2303462170	PJLOWDRFGAHDQJ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)CC[C@@H]1CCC(C)(C)C1	2304351706	KGCUQIHWHCPVPW-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CCC1(C)CC(O)(CC[C@H]2CCC(C)(C)C2)C1	2304384255	MDMLGEYPQUENCO-IUDNXUCKSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@H]1CCC[C@H]1C[C@H](CC)CCC	2307826494	MXTLMGPOCBQCCU-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(O)CCCCCC1(F)F	2307835938	URFDWNMITAKOJN-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H]1C[C@H]1C1CCCCCC1	2311539225	XMSFEMJLHBOOOK-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)CCC[C@@H]3CC[C@@H]32)C1	2311893020	RVEBWBNYLHXWQV-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@]1(O)C[C@H](C)c2ccccc21	2316241027	ZTSSYAMGXHCFOF-SUMWQHHRSA-N	246.394	4.598	0	10	BJAE	
CC(=CC[C@@H](N)c1ccc(C)o1)CCCC(C)C	2316501517	FKFLQXWPPOZBHS-OAHLLOKOSA-N	249.398	4.751	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@@]12CCC[C@@H]1C2	2316512041	YYCPAVBMZFSJIW-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@]1(N)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316868721	AHJYKKHZMVBDFC-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CC(C)Oc1ccccc1N[C@@H](C)[C@@H](C)C(C)C	2317940185	IOYKLKAYAOMHEY-KBPBESRZSA-N	249.398	4.566	0	10	BJAE	
CC1=C(C)C[C@](CNC(C)(C)C)(C2CCC2)CC1	2320269612	CJYLRVKOTICTQN-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)C2CCC(C)CC2)CC1	2320342094	ZKEKCPINAGEVIF-SHXOLCEUSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)[C@H]2CCC(C)(C)C2)CC1	2320394411	PIXUWKHJCPJHNM-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CC[C@](O)(c1cc(C)ccc1C(C)C)C1CCC1	2327700440	AUXYNULHBIGYDU-QGZVFWFLSA-N	246.394	4.516	0	10	BJAE	
CC(C)c1cccc(NCC2CC(C)(C)C2)c1F	2327765311	ORRXSJVQHNEQNU-UHFFFAOYSA-N	249.373	4.797	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cccc(C2CC2)c1	2328275752	PNTWMEVDPWPDTD-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
Cc1cc([C@@H](C)Nc2ccccc2F)c(C)s1	21790538	HYFLPBWHNARLPP-SNVBAGLBSA-N	249.354	4.677	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCC[C@H](C)C1	21813710	CWYMRFJTSHMUTI-KBPBESRZSA-N	231.383	4.801	0	10	BJAE	
CC[C@H](NC)c1ccc(C(C)C)cc1C(C)C	35493915	RZULTTNGDXPXOZ-INIZCTEOSA-N	233.399	4.604	0	10	BJAE	
Cc1cccc([C@H](C)Nc2cc(F)ccc2C)c1	37212673	AXRILOPDVQQKMT-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCCCCC(C)(C)[C@H]1CC[C@H](C)CC1=O	69405070	RBJYQOSNGAUHMI-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
Cc1cccc(Cl)c1-c1cccc(Cl)c1	85389095	KGCILSPQMNQYLV-UHFFFAOYSA-N	237.129	4.969	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)C1CCC(CC)CC1	87937788	ABEYRJQYRMPLHV-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCCCC[C@@H]1NC	103938878	WYQMVNWWULKDJS-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)c1ccc([C@H](O)CC2CCCC2)cc1	104031137	NTWGRCOPQYNSSG-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(C)(C)CCNC(C)(C)C)C1	133972497	HDMHFSMFIZKJFW-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)NC[C@H]1CCCC[C@H]1CCC(C)(C)C	155622187	HVYRKJSULKALEI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)C1CCCCCCC1	159024134	UEVONGAGDVWNLN-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CNC(C)(C)C)C(C)(C)C	162404382	XMSAYLLNLMAQBY-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC(C)N(CCCC(C)(C)C)Cc1ccccc1	202420079	YIQKUOALZWVENT-UHFFFAOYSA-N	247.426	4.723	0	10	BJAE	
O=C(CC1=CCCCCCC1)c1ccccc1	205755970	GSXDQSWFAYWRNE-UHFFFAOYSA-N	228.335	4.540	0	10	BJAE	
CC(C)c1ccccc1NC/C(Cl)=C\Cl	211216436	GJIPIEQSXLRWRQ-JXMROGBWSA-N	244.165	4.541	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCC[C@H](C)[C@H]2C)c(C)c1	227028829	IXZZUEGOKWNTTC-MAZHCROVSA-N	245.410	4.848	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@]1(N)CCC[C@H](C2CC2)C1	227175067	KTAXNCWTQNNXGN-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(C2CCCCCC2)C1	231012133	STIHKAOMQYTUQJ-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@]1(C2=CCCCCCC2)CCCCCN1	232787676	FOHVLLRRVBTFKN-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc(O[C@H](C)CC)c1	233284565	GAAOUKHRYLDTPT-ZIAGYGMSSA-N	249.398	4.855	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H](C)c1ccccc1	233592534	LVNOMFTZIUKELX-DOTOQJQBSA-N	247.426	4.595	0	10	BJAE	
C[C@H](C[C@@H](N)C1=CCCCCCC1)C(C)(C)C	235456385	KPBIMYGNKBDCNX-UKRRQHHQSA-N	237.431	4.667	0	10	BJAE	
C/C=C(\C)[C@H](CCCC)Nc1ccccc1	238231033	ZVYBDPMKGLATIN-WQPBDQAGSA-N	217.356	4.624	0	10	BJAE	
N[C@H](C1CCCCC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	253193720	PAQBDFZTWDZOHP-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H](N)CCCC(C)(C)C	300840773	JRAUVMDTDRAWBE-ZDUSSCGKSA-N	213.409	4.501	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)[C@@H](C)C(C)C	302238459	BYVXVVJBDXNBTO-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)CCC1CCCCC1)c1ccccc1	306024032	YVNDQGOADDJILJ-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
CCCC[C@H](CCC)NCC(C(C)C)C(C)C	310116018	SHDLQCMHBTUZJJ-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CCCCC2(C)C)C1	310141720	NDXUTLINGSFSLS-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1ccc(CC(C)C)cc1	319413797	VLBZQYVSLMQNPD-JJRVBVJISA-N	248.410	4.601	0	10	BJAE	
CCCC1CCC(N[C@@H](CC)C2CCC2)CC1	322613152	CVWMKRYBBPEMST-BCLQGDPASA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(N[C@@H](C)[C@H]2CC3CCC2CC3)c1	382157256	OVVICUQZGBHSPE-PBMMVSLJSA-N	243.394	4.622	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H]2CCCC[C@@H]2C)c1	385039873	RASRJRXNSVPQMK-XJKSGUPXSA-N	244.378	4.648	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@@H]1CC(C)C)c1ccccc1	385845843	ORTLPJQSYGDAIT-YESZJQIVSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@H]1CCCC1(C)C	388944169	SLXAULKGRIPUHI-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)/C=C(\CNC1CC1)C1CCCCC1	394085496	VPBCPSLOEBFVTA-AOHITCTBSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(CC)c2c(SC)csc12	396177455	MBRUFNBZTNCFLL-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cc2c(C)c(C(F)(F)F)ccc2s1	396298515	GDTYTMWNPRHJBY-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@H]1CCC[C@H](C)C1	400880217	WOAMFOXFIFETCF-GWCFXTLKSA-N	238.758	4.606	0	10	BJAE	
CCCC1CCC(CN)(C[C@H]2CC=CCC2)CC1	402197329	CBMPWNQGKSUWSR-CGZBRXJRSA-N	249.442	4.668	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)CC(C)(C)C1CC1	405733464	SWHBRYXCWJFVFX-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC/C1=C/Br	606287918	BYAUMAVROLIDCH-HSTULFTRSA-N	231.177	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cccc(C2CC2)c1	690151826	FJKFWQPDTFMUCW-MLGOLLRUSA-N	229.367	4.555	0	10	BJAE	
C[C@H]1CCCCC[C@H]1Nc1cccc(Cl)c1	691068464	MDZDFWISAGQSAZ-SMDDNHRTSA-N	237.774	4.721	0	10	BJAE	
Cc1cccc(OC[C@H]2CC3CCC2CC3)c1C	691658154	MFRWMJHBCXVQKJ-UYSNPLJNSA-N	244.378	4.509	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1cccc(C(C)(C)C)c1	691699084	MYKIRSAXGHZAET-CJNGLKHVSA-N	248.410	4.700	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@H]1CC[C@H](CC)CC1	692071530	NLWKLYLDAUSOKA-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CCC)NCC(C)(C)CC(F)F	694000917	NWJNIWZUZPGXCW-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CCCC2(CC2)C1	696016177	DILWARRYPDFUSR-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC[C@H]1C1CC1)C1CCC1	696065792	WVJCPSBRJCWYTF-YESZJQIVSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCCC(C)(C)CC)C1CCCC1	696798582	CGCJIQRZGXZBOH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CC[C@H]2C[C@H]2C1	697814133	DUWCHCQZYSDJAC-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H]([C@H]1CCC[C@@H]1C)C(C)(CC)CC	701146681	RRPHRMPCVACACI-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C(C)(CC)CC	701148510	PPFDISFBCVKBFH-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H]2CCC23CCCC3)C1	703213677	GCPYHPPGLZZVJT-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
c1ccc(-c2ccccc2NC[C@@H]2CC23CC3)cc1	705226371	OJXGXZCJNZWAEN-HNNXBMFYSA-N	249.357	4.566	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H](C)[C@]12CCCC[C@H]1C2	708879432	NQFQXPPEYVHHGY-TXCZRRACSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](N)(C[C@@H](C)CC(C)(C)C)C(C)(C)C	709211941	JXVNNKKROHSXPC-BBRMVZONSA-N	241.463	4.993	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NC1CCC(C2CCC2)CC1	710191046	LUNPFSBQMRAYKK-LHUBUQBQSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCC2(CC2)C1	723568424	KAAMNUBFDYWITA-OAHLLOKOSA-N	243.394	4.692	0	10	BJAE	
C[C@H](C[C@H](O)CC1CC(C)(C)C1)CC(C)(C)C	723590598	WKELELVXEMKPNJ-OCCSQVGLSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@]1(N)CC[C@H]2CCCC[C@H]2C1	723616686	XQWKPTIIHJADAF-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C1CCC2(CCCCCN2)CC1	958694400	SNNQPRSFGJROIG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1c(N)cccc1-c1cccc(C(C)(C)C)c1	1241301508	AICRJAWNYOTNJO-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CCCC[C@H](CC)CN1C[C@H](CC)CC[C@@H]1C	1307768737	UZLFTIBVTHKQNK-HRCADAONSA-N	239.447	4.713	0	10	BJAE	
CC[C@H](NC[C@@H]1CCC=CCCC1)C1CCCC1	1308974047	CVMKYKBXMHJUFO-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C=C/C=C/CCN(C)C1CC(C)(C)CC(C)(C)C1	1460374853	NXGGUUYSTJJAMD-CMDGGOBGSA-N	249.442	4.655	0	10	BJAE	
C(=C\c1ccccc1)\CNc1ccc2occc2c1	1560551877	JTFBTXJIPSBMND-DAXSKMNVSA-N	249.313	4.558	0	10	BJAE	
C[C@H]1CCC[C@H](N[C@@H](C)CC2CCCCC2)C1	1560799269	AASVKUDPXIMAQB-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)SC1CCC(C)(C)CC1	1641062563	CGDDMBUAABPWPE-NSHDSACASA-N	214.418	4.877	0	10	BJAE	
C1=CCC(CSCCCCc2ccccc2)C1	1641066557	YASVKDJHEYIPDM-UHFFFAOYSA-N	246.419	4.709	0	10	BJAE	
C=C/C=C\CCN(CCC)c1ccc(CC)cc1	1643127908	YBOCEYYTHPCZDK-FPLPWBNLSA-N	243.394	4.598	0	10	BJAE	
CCC(C)=CCc1cc2sccc2s1	1887864433	PENBJDPDNXDHRD-UHFFFAOYSA-N	222.378	4.862	0	10	BJAE	
CCC[C@@H](O)CCC=C(C)CCCC(C)C	1900837872	IJVRWZRVXDLFHX-OAHLLOKOSA-N	226.404	4.700	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC=C(C)CC)NC	1900882895	OCYFGRXBNWHBSC-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1Cn1ccc2ccc(Cl)cc21	1910789075	ADYVWTYCBGREGG-OLZOCXBDSA-N	247.769	4.731	0	10	BJAE	
CC=C[C@H](C)Cc1c(C)c(C)cc(C)c1C	1912105098	QUSMGBZCNMZZAG-NSHDSACASA-N	216.368	4.675	0	10	BJAE	
CCC=CC[C@H](CCC)c1ccc(O)cc1	1912113054	XTERWBPNTCMQDG-ZDUSSCGKSA-N	218.340	4.632	0	10	BJAE	
CCc1cccc(CC)c1NCC[C@@H]1CC1(C)C	1921566215	ZFXCVBPOTXLCBC-OAHLLOKOSA-N	245.410	4.660	0	10	BJAE	
C[C@H](C(=O)C[C@@H](C)C1CCC1)C1CCCCC1	1924131929	WJEAPSJEIWVMQD-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@@H](NC)c1cccc(C(C)C)c1	1926372272	OVECJANOAPNELW-QGZVFWFLSA-N	247.426	4.897	0	10	BJAE	
CCCC(N)(CCC)CCCCCC1CC1	1936427829	HUPDLEBRTCDKKM-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CCCCC[C@H](NCC)C1(C)C(C)(C)C1(C)C	1940282974	RXGBFGJCUPFMRV-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCCNC1CCCCCCC1	1940882012	OMWRRQYLIZHWQJ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@H](CC(C)C)C(C)C	1941244042	RRZHHQHHDQJVAV-CVEARBPZSA-N	240.431	4.802	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)C1CCCC1	1941587313	RBNZEHWIHCXPLH-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@](N)(CCCCCC2CC2)C1	1941591117	ILRSHNQKRJTPGP-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1cccc2sccc12	1945947416	LNRMZHWOMLLGHG-SMDDNHRTSA-N	247.407	4.598	0	10	BJAE	
CCSc1cccc(NC[C@@H]2C=CCCC2)c1	1947589567	XDUCAWNJMCDOSB-CYBMUJFWSA-N	247.407	4.567	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1(CCC)CCC1	1948932663	PBEIZTHFTBFRHR-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CCC[C@](N)(C1=CCCCCC1)C1CCCC1	1948977615	KGDGYVPQFPWIBT-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)CCC(C)=C(C)C)C1	1949044779	ZPTWDHWUFKBTRO-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CN[C@H](CC[C@H](C)CC(C)C)CC1CCCC1	1949864432	NCTGXEPNDFSATR-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC[C@@H](N)CC1CCCCC1	1949915416	HRSWPGIJFVNALD-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)C[C@H](N)[C@H]1CCCC(C)(C)CC1	1950921392	FJYVGNQQPJTJSR-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(OC(C)C)cc1	1951309184	WKKLONVWFKSZLC-CQSZACIVSA-N	232.367	4.934	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC[C@@H]2CCCCC23CCC3)C1	1966064034	FIPPJMRXKIYFEY-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(NC2CC3(CCCCC3)C2)C1	1972428195	GRAJDHFACPWMOA-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1973573788	QLAOEKQSORDZGZ-FIDHJVLJSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@](C)(O)C1CCC(C)(C)CC1	1975978151	BYXWHKWXQPBXKC-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CCCC(C)C	1978423079	KOBACMLBMXIYEL-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CCC[C@H](c2csc(C3CC3)n2)C1	1980287196	SRYMEZIIJLPUNQ-NSHDSACASA-N	235.396	4.704	0	10	BJAE	
CCCCCC[C@](C)(N)CCC[C@H]1C[C@H]1C	1985903268	RSRQTPVGCCTKQP-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCCC1(CC(=O)c2sccc2C)CCC1	1988425139	FIXCJYKGOAMZBC-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCCCC[C@H](CC)NCCC(C)=C(C)C	1990041940	YMYGFDQZSZCLAU-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CCCCC[C@](N)(CC)CCC[C@H]1C[C@H]1C	1990091385	MWZZUQOZGQKIMX-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H](C)C1CCC1	1991141180	XEFSOKWWRZDDMG-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCSc1ccccc1N[C@@H]1C[C@@H](C)[C@H]1C	1996576412	ZHARYWZDWKYWRO-YRGRVCCFSA-N	249.423	4.645	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCC(C)(C)C)CC1	1997116673	MCWCXYWZOZQTIX-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
C[C@@H](N(C)CCC(C)(C)C)C1(C)CCCCC1	1997187442	REXZYCZLNVSTLP-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)[C@H]1CCCC(C)(C)C1	2000052911	YYEIRQJGCWOWRZ-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCCC2CCC2)C1	2000189916	FMWMVJHUXQHNHI-WFASDCNBSA-N	234.383	4.518	0	10	BJAE	
CN[C@H](CCCC(C)C)C[C@H]1CCC[C@H](C)C1	2000251402	CEKIYISCPAJPRG-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CCC(F)(F)CC	2000311687	CQNFDZJANUKFFA-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCN[C@@H]([C@@H](C)C(C)C)C1(C)CCCCCC1	2000371835	JQIHIZBUTFRLRR-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CN)CCC[C@H]1CC1(C)C	2000493414	CIJASIZAFCJDDO-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@H]1CCCCCC1(F)F	2000762138	AJMWECHCEYBPCX-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
Clc1ccccc1NC[C@H]1[C@H]2CCCCC[C@H]21	2002205943	YLAZKMDNUNUKEJ-CLLJXQQHSA-N	249.785	4.578	0	10	BJAE	
CCC1CCC(CNC2(C)CCCCC2)CC1	2002885539	YZPSZUUZFUCNTJ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)[C@@H]1CCCC(C)(C)C1	2003022089	ZUPYVFCEOUVOQN-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC)C[C@H]1CC=C(C)C	2004228180	OGQRFHIVEXSLOJ-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC1(CNCC2CCCC2)CCCCCCC1	2004938003	YGAPLOABKDEWGH-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCNC[C@@]1([C@@H](C)CC)CCCCC1(C)C	2005593252	AAKVZQYVFYQZFI-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC1([C@](C)(O)C=C2CCCCC2)CCCCC1	2007921460	MPUKMYHAJLLEFQ-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@]1(CC(C(C)C)C(C)C)CCCN1	2009767927	IHBUNBBFUDWIHZ-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
c1ccc([C@@H]2C[C@@H]2CC2CC(=C3CC3)C2)cc1	2011087964	CHEDWQIUPHQIRL-IRXDYDNUSA-N	224.347	4.681	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C1CCCCCCC1	2011569116	BKNZUFZKLLLZFV-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCN(C)C1CCC2(CCCCCC2)CC1	2013224664	JXFPLZWZKCZTFW-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cccc(F)c1F	2013263730	JAVXIBTVTWQTPL-LLVKDONJSA-N	241.325	4.592	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C[C@@H]1CCC[C@@H]1C	2013307937	APJQLNGWSQGMQM-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CCCC1(CC(=O)C2(C(C)C)CCC2)CCC1	2015584415	JGYZVKISMQHKHF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1(CC(C)C)CC1	2015742766	OVVSDNJTSKMEBW-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@]2(C)C[C@@H]2C)CC1	2016455850	JTLXSGVHBZPJCQ-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@@H]1C)CC(CC)CC	2017234558	AIEPNOKEYUMSNY-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)CC(C)=C(C)C	2017462171	WGUPBFGWZPRAAR-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@@H](CC(C)=C(C)C)CC1CCCC1	2017473043	PLWWBOPYWJRUAQ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@H](N)C[C@H]1CC[C@H](CCC)CC1	2017722988	SDFUXCYUAGUQGY-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)CCC2CC2)CC1	2017723680	KVDZGWBKCBLGQA-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)[C@@H](C[C@H]1CC[C@H](C)CC1)NCC	2017724783	OGZPPUSSQHJKPO-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC[C@H](C)N2)CC1	2017732894	FYSATZDPVDZOMN-SLTXQBBLSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CCCC2CC2)CC1	2017772478	QFEGBOBEKNZQGU-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC2(CC)CC2)CC1	2018995103	NNMLXVURSZPXKX-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)[C@H](C)N(C)C1CC(CC(C)(C)C)C1	2019385736	PDVHVWLGKBBTFR-DNDYEEKYSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@H]1CC[C@H](C)CC1	2019450717	MQNSTSQXAFBENF-BZUAXINKSA-N	239.447	4.713	0	10	BJAE	
C[C@@H](C[C@@H](C)[C@H]1CC[C@H](N)CC1)CC(C)(C)C	2023551718	UVYUXEIEOGDEEV-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CC[C@@H](N(C)CCCCCC(C)C)C1	2025600805	PPNBUPVGZWPCIM-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H](C)C1CCC1	2026075175	SVBQQWCGPUBXQL-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@H]1CCCC12CC2	2027317140	QGFHTZMXKOZFCU-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(N[C@H]2[C@@H](C)[C@@H](C)CC[C@H]2C)c1C	2027794394	VTHPSKXBYCOZRB-UICACZKSSA-N	245.410	4.786	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2CCC=CCC2)C1	2028874165	MFOINMIYJAFHEZ-GOEBONIOSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C1(C)CC(C)(C)C1	2029109570	YTVQZFKHCDKCGH-HNNXBMFYSA-N	245.410	4.636	0	10	BJAE	
CC(C)(CCC(=O)C1C[C@H]2CC[C@H](C1)C2)C1CC1	2033100140	PBIGIUSQWIBUPD-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccccc1C	2035398856	BCVKGLKAVGKFDX-UXLLHSPISA-N	245.410	4.614	0	10	BJAE	
CCc1occ(C)c1C(=O)[C@@H]1CCCC[C@H]1CC	2035538136	MIDLDMFKRKROFO-CHWSQXEVSA-N	248.366	4.550	0	10	BJAE	
CCC1(C[C@@]2(N)CCCC23CCCCC3)CCC1	2037106153	ZWARDSJEIMFWOS-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccc2c(c1)CCCC2	2038360910	RULRXGIOUFJRCZ-INIZCTEOSA-N	243.394	4.556	0	10	BJAE	
Cc1cc([C@H](N)[C@@H]2CCCC(C)(C)CC2)c(C)o1	2039358127	ZCCPSJXFQFXKSQ-UKRRQHHQSA-N	249.398	4.503	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CCC[C@@H](C)CC2)cc1	2039374549	LNLKKGCTLFRTMH-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@@H]2C=CCCCCC2)CC1	2041532121	FUJLWTCISLDTLQ-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@]1(C)N[C@@H]1CCC2(CCCC2)C1	2041736906	QGPNSSGUJRYYGQ-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
C[C@H](NCC(C)(C)C1=CCCC1)C1CC(C)(C)C1	2043551695	YOOIDLFVBUOMOR-ZDUSSCGKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C2CCC3(CC2)CC3)C1	2045511865	KRAGIOGIZKSUGL-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@]1(C[C@@H]2CC23CCCC3)CCCCCN1	2047021189	VBLRZZWLZKRXRH-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CCC1CCC([C@H](N)C[C@@H]2CC23CCCC3)CC1	2047024942	XXVPPYPBAKVUMZ-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@H]2CC23CCCCC3)C1	2047063444	WNTJDCNEFHQSDK-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(CN)(C[C@@H]2CCC3(CC3)C2)CC1	2049865998	ODNGVBQNJMPPCF-ISXOHVOVSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1cc(C)ccc1C	2051410043	XDAQMDHNKFAAIT-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
C[C@@H]1CC[C@H](N2CCCC[C@H]2C2CCCCC2)C1	2051669184	RILNXYIIQNQNLC-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cnccc1C(C)C	2053854866	YDCQATUFDYEVLB-ZIAGYGMSSA-N	248.414	4.832	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CCCC[C@H]2F)cc1	2055157894	CIJSMUMLMNHJPN-HZPDHXFCSA-N	249.373	4.722	0	10	BJAE	
C[C@@H]1CCC[C@H]1N(C)C1CCC2(CCCC2)CC1	2055269657	JBSXLLQFKQVYCV-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1CCC[C@@H]1C1(CNC2CC2)CCCCCC1	2055286226	OVFYWNVQCRIUGF-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](Nc1ccc(CF)cc1)[C@@H]1CC1(C)C	2055669623	MUHNEHUPUUZTHY-GJZGRUSLSA-N	249.373	4.783	0	10	BJAE	
CN[C@@H](CC1(C)CCC1)C1(C)CCC2(CC2)CC1	2056552188	KBVCJPGIAUHGEO-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)C[C@@H]2CC=CCC2)CC1	2056556388	HSWYWPVSOYZDLC-HUUCEWRRSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](N)(C=C2CCCCC2)C1	2056908911	YMWNXWYBUGGZKR-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC1([C@@H](N)C2CC(C3CCC3)C2)CCCCCC1	2057498766	VMRLQFDWTLAIBJ-GPANFISMSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C2=CC[C@@H](C)CC2)C1	2060913792	NHWNIOFJNWXPHN-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CCC1CC1)C1=CC[C@@H](C(C)C)CC1	2061089559	UPTGVOMGCWGIMH-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C(C[C@@H](O)c2cccc(C)c2)CC1	2061099380	OUGVOFXXZDNJFW-WMLDXEAASA-N	244.378	4.555	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(C2=CC[C@H](C(C)(C)C)CC2)C1	2061113402	OJTSJDPRYYEXIV-KEYYUXOJSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@H](NC)C(C)(C)C2CCC2)CC1	2061139856	ITMRQLYHXLBEMY-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC(CC(C)C)NC1CC(=C2CCC2)C1	2061257716	GLZAMGGRKQAMKH-UHFFFAOYSA-N	249.442	4.680	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CC[C@]12CCC[C@H]1C2	2061601747	JKPOXKKABIFPGE-JKQORVJESA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC=C([C@]2(N)CCCCCC23CC3)CC1	2062008960	JRQQZWPDFNZSAH-WMLDXEAASA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCCCCC23CC3)[C@H]1C	2062016044	CZIBTMICGPMJPW-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H](N[C@@H]1CCCCCC12CC2)C1CC1	2062018503	DZQFPUUILUYOBU-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@]1(N)CC(C)(C)CC2(CC2)C1	2062648189	YQDNICXWIMYMOT-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC2C[C@@H]3CCC[C@H]3C2)CC1	2063416954	BTSLOIXJBGEEQG-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)C1CC2(C1)CC(C)(C)C2	2063803459	IHMMWNBLTDTEAC-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCC12CCC(CC1)CC2	2065262152	GTPGDJDIXSEJQN-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@@H](CC23CCC(CC2)C3)NCC)CC1	2065313100	OYTDMBRCXQAQIV-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1NC(C1CCCC1)C1CCCC1	2065933994	SXWZFINJVGEQMC-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@@H](C)c1ccccc1	2065990084	KEUKEORYDNVOOW-NVXWUHKLSA-N	247.426	4.595	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CCC2)C1(C)CCCC1	2067518104	ULLIDJKRKBHKEB-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068771412	OITIGYKUVFUQQK-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C[C@@H]1CC12CCC2)C1(C)CCCCCC1	2069204482	QGPPQUAGLCYSFO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC1CCCCCCCCC1)C1CC=CC1	2070813307	CAKRQCUEAKGZTD-HNNXBMFYSA-N	249.442	4.824	0	10	BJAE	
C[C@@H]1C[C@H]1CCN[C@H]1CCCC2(CCCCC2)C1	2071464846	HGUQHQWWKILGFD-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1([C@@H](N)C2=CCCCCCC2)CCC1	2071935332	ZKASKNJZNXMFRY-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
CCCC1CCC(CN[C@H]2C=CCC[C@H]2C)CC1	2072802809	BLGIPSIFKSZZIG-VXLLPVPCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CNCCC1=CC1CCC(CC)CC1	2072819823	FRKDWIHBWKSUIM-DQPZFDDXSA-N	249.442	4.539	0	10	BJAE	
C[C@H](N[C@]1(C)CCC(C)(C)C1)[C@]12CCCC[C@H]1C2	2073067573	IJNHBXNQRJFPNX-XJNFMUPTSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C[C@@]2(CNC3CC3)CCC[C@H]2C)CC1	2074627938	ZRHJEWKKZNBZKB-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCN(CC1CC(=C2CC2)C1)C1CCCCCC1	2076559843	YZNMKKZRXUJQSB-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](CC)CC1)[C@H]1C[C@@H]1CC	2079219272	CQJNMTQMTUWOLH-OHFALNGGSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H]2C[C@@H]2C2CC2)CC1	2079296590	RUUOWWABRAAAMW-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H]1C[C@H]1C1CCCCC1	2079435842	QXNSTNNWPZMQHV-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCCNC[C@@H]1C[C@H]1C1CCCCCC1	2079457481	IGINNMZFOVVBKJ-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@@H]1C1CCCCC1)C1CCC1	2079486055	LZYXLCQTIYZGGK-DAXOMENPSA-N	248.410	4.598	0	10	BJAE	
CCCC1(NC[C@H]2C[C@@H]2C2CCCCC2)CCC1	2079650831	MUDUTTHCUDEEEH-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(NC[C@H]2C[C@@H]2CCC)cc1	2079656058	LOYVILXOYQUJFQ-JKSUJKDBSA-N	245.410	4.877	0	10	BJAE	
N[C@@H]1CCC[C@H](C[C@H]2C[C@@H]2C2CCCCCC2)C1	2079705940	KFOFAUYCGVWONI-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C[C@@H](N)c2ccco2)CC(C)(C)C1	2082975951	NBYGALWEAYBJTC-CYBMUJFWSA-N	249.398	4.522	0	10	BJAE	
CN[C@H](C[C@H]1CCCC(C)(C)C1)C1(C)CC=CC1	2082980041	RVOOTAKNFJGNPV-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(=O)C2CCCCCC2)c(F)c1C	2083347376	RISCWECZQOTPRA-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
Cc1c(F)ccc(C(=O)CC2CCCCC2)c1C	2083355077	SGCQFGBDABTHDJ-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
C1CCCC(CCN[C@@H]2C[C@H]3CCC[C@H]2C3)CC1	2086161334	CJOJNPKLKWNQJO-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1C[C@H]2CCC[C@H]1C2	2086170256	CWAOAUMAPBVXMK-BPUTZDHNSA-N	243.394	4.548	0	10	BJAE	
CCC(CC)C[C@@H](N)CCCCCCC1CC1	2213575898	KLGQEGMZITXPFQ-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCCNC[C@](C)(CCC)CC[C@@H]1C[C@H]1CC	2215267137	VJERAJMNVVLXQT-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
C[C@]1(O)CCC[C@@H]1CCCCCCCC1CC1	2216877160	JBXWTQIETWCZDZ-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CCc1cc(Cl)ccc1NC[C@@]12CCC[C@@H]1C2	2217240231	HLYWTBYFYYFBIU-DOMZBBRYSA-N	249.785	4.505	0	10	BJAE	
CCCC1(CN[C@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218330034	FVLDEVYISKBHJW-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CCCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218351716	QUVMKCZFWQLXLT-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC=C(CC)[C@@H](NCC)C1C[C@H]2CCC[C@H](C1)C2	2218352227	VWFFJLRDJSWWGP-GRDNDAEWSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1CCC1)CC1C[C@H]2CCC[C@H](C1)C2	2218355144	ZKISIRJZWQKHRH-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC2(C)CC3(CCC3)C2)C1	2221083442	JKTHBZQUZAAYLI-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)c1c(C)cccc1C	2221998016	VXNLEQKPOIVCEC-DOTOQJQBSA-N	247.426	4.766	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)C1(C(C)(C)C)CCC1	2222000907	LKGJMLVUJIKZHP-OAHLLOKOSA-N	246.394	4.553	0	10	BJAE	
CCCCCC[C@@H](C)Nc1c(C)cc(O)cc1C	2223330218	ASWKBLAPYWNBMP-CQSZACIVSA-N	249.398	4.780	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H](C)c1ccc(C)cc1	2223964556	VTPZQQNPJJVOIU-RDJZCZTQSA-N	247.426	4.657	0	10	BJAE	
CCCCCCS[C@@H](C)c1cccc(N)c1	2246090834	LJPXBBHGJZIYQZ-LBPRGKRZSA-N	237.412	4.643	0	10	BJAE	
CC(C)C[C@H](C)N(C)CC[C@H]1CCC[C@H](C)C1	2246659358	HZZBSRZFFRFRLO-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C(=O)CC[C@@H]1CCC[C@H](C)C1)C(C)C	2246681916	WYRWEEXPHVAKLC-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
C[C@H](C(=O)CC1CC2(CCCC2)C1)C(C)(C)C	2246813645	KBRKKRDSFRAIJE-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)[C@H]1CCC[C@@H](C)C1	2247159781	PKGSPXUNXXXALF-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1CNc1cccc2ccsc12	2247389077	YZLRCIYGLVEEGC-GFCCVEGCSA-N	245.391	4.749	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC[C@@H]1CCCC12CC2	2247624730	ZSJUPTWALOKBLO-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@](C)(N)C1CCCC1	2248856073	VANARBMVLMOMMK-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251714735	YVUCJCBAPCOLDV-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CC2CC3(CCCC3)C2)C1	2254110177	WENMADAWMCRNJL-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C)c1ccccc1CCC=C(C)C	2254227653	YYDIEEYZQNMBBV-OAHLLOKOSA-N	245.410	4.646	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H]1CCNC2(CCCC2)C1	2254523146	RBMWGVRXUCCSEB-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](N)CCCCC[C@H]2C[C@H]2C)c1	2254540119	XDTVBVYDGBYDLR-HLLBOEOZSA-N	245.410	4.601	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](C[C@H]1CCC1(C)C)N2	2254858225	WHPKVMYDQRTXAQ-CABCVRRESA-N	243.394	4.548	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1CCC12CCC2	2255014614	CDTAIEOLDTZIII-CQSZACIVSA-N	244.378	4.769	0	10	BJAE	
CC(C)CCC[C@@H](C)CCOc1cccc(N)c1	2257263542	YPBQHLOFNCPOOG-CQSZACIVSA-N	249.398	4.500	0	10	BJAE	
CCCC1([C@H](C[C@@]23CCC[C@@H]2CC3)NC)CCC1	2260573997	KRKQXKMDJMFPHM-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@@]12CCC[C@@H]1CC2	2260652139	PSKSIPWVTHZZCB-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@H](CCC1CC(C)C1)NCCC	2261489558	NRTDJRMZCRHPHL-OFLPRAFFSA-N	249.442	4.703	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCCCCC[C@H]1O	2300675377	DVOKDPBZJYFKBT-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CC[C@@H](CC1CC(C)(C)C1)NC	2300689168	VELMZNDKKJQXON-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(=CC[C@]1(N)C[C@H](C)[C@@H]1C)CCCC(C)C	2300904222	MNLSMBYTHSYMQA-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CC(=CC[C@@](C)(O)C(C)(C)C)CCCC(C)C	2300915175	YLJAVBMOTICRTK-MRXNPFEDSA-N	240.431	4.946	0	10	BJAE	
CC(C)[C@H](C)c1csc(-c2cccc(F)c2)n1	2301907995	OBCIBLUNTBNMBP-JTQLQIEISA-N	249.354	4.709	0	10	BJAE	
CCCNC[C@@H](CCC)C[C@@H]1CCC(C)(C)C1	2302711424	YWSXIBSPLLOZOX-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC[C@H]1C(C)(C)C	2303401469	MPENOESJNHTKNN-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
NC1(C[C@@H]2C[C@@H]3CC[C@H]2C3)CCCCCCCC1	2312870666	QZNMOCNKIUMSLV-PMPSAXMXSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313342851	TYFRMDMDSUDMAL-FSDCSDTHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@](N)(C[C@@]23CCCC[C@@H]2CC3)C[C@H]1C	2313353340	MJFLUKYRNUQABU-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N1CCCC2(CCCCC2)C1	2313613065	SETRUPQEDCGCBS-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H]([C@@H](C)CC1CC1)[C@@]1(C)CC=C(C)CC1	2313696972	ZXFZJCZOMYLKEF-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@](O)(CC)Cc1ccccc1	2316248322	OBPFULJJPHMZTF-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
CCC(CC)CC[C@]1(N)C[C@H](C)c2ccccc21	2316275175	JQZQXFRYALJJQQ-GUYCJALGSA-N	245.410	4.564	0	10	BJAE	
CC[C@]1(C)NCCC1=CC=C(C)CCCC(C)C	2316535315	GORBSVWHFBOFPG-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)[C@H](C)[C@@H](C)C(C)C	2317827054	IZLCPBVLBVQRIX-UXLLHSPISA-N	247.426	4.574	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)[C@H](C)[C@H](C)C(C)C)c1	2317827370	LCJMDHPSHXNGSJ-FRFSOERESA-N	248.410	4.573	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C[C@H]1CCC1(C)C	2317903188	CISTZOSLZNYXPV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(N)CCCCCC23CC3)C1	2319033868	GHSDWKWGKLBNBK-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCC[C@@H]2C[C@@H]21	2319252005	JGBWTFNMZGJISP-UKPHBRMFSA-N	243.394	4.801	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H](C)[C@H]2CCC2(C)C)CC1	2320229992	CFUVPHXMGMAAPE-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](N[C@@H](CC1CC1)C1CC1)C1CCCC1	2320518013	ZDNXLFIFYJEIFD-IRXDYDNUSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(F)c(NCC[C@@H]2CCC(C)(C)C2)c1	2321525982	DILXHCMJULBQFO-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)C2(CC3CC3)CC2)C1	2321632106	DNTJDEPXCVSJSU-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@](C)(O)Nc1cccc(C(C)C)c1	2323916755	NKQPFEIEHDJEMN-INIZCTEOSA-N	249.398	4.511	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H]2CCCCCC2=O)c1	2327674281	ZOKXRYUHXUDXEY-OAHLLOKOSA-N	244.378	4.735	0	10	BJAE	
CNc1ccc(-c2cc(C)ccc2C(C)C)cc1	2327784910	UEXLKXZUGGRYAC-UHFFFAOYSA-N	239.362	4.827	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)CCCc1ccccc1	2328281516	INTCVSZZXNBRCE-NVXWUHKLSA-N	248.410	4.587	0	10	BJAE	
CCCCCCN[C@H](C)c1ccc(C)cc1C	21813283	QHGQBQFVYMIGBV-OAHLLOKOSA-N	233.399	4.534	0	10	BJAE	
Cc1ccccc1N[C@@H](c1cccs1)C(C)C	37216366	KXLBVQVZVHRWFA-OAHLLOKOSA-N	245.391	4.866	0	10	BJAE	
CCCCOc1ccc(C2=CCCCC2)cc1	66322488	VYZLOISGQUOUPP-UHFFFAOYSA-N	230.351	4.823	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](CC)NCCC	71083960	UNKCCVMIVWYDBI-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1ccc(CC)s1	71085880	VQNMBIPQNLHNKQ-FZMZJTMJSA-N	240.412	4.560	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)c1ccc(C(C)C)cc1	71160357	WEFNOMPHNPGROB-RDJZCZTQSA-N	245.410	4.564	0	10	BJAE	
Cc1ccc(-c2ccccc2C=O)c2ccccc12	79905384	IIQIHQQETDUCHT-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H](C)[C@H](C)C2)c1C	84981988	MMHZBSHCMQPEMS-NJZAAPMLSA-N	231.383	4.540	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@@H](C)CC2)ccc1F	86889964	LUOWQICCSVOPQP-YPMHNXCESA-N	235.346	4.515	0	10	BJAE	
CC(C)CC[C@@H](O)C1CCC(C(C)(C)C)CC1	87985466	YHLNGLOEVVQOGI-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)c2ccc(C(C)C)cc2)C1	88011580	FQZKVZZEVNFSQV-CZUORRHYSA-N	244.378	4.819	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cc(C)cc(F)c1	91510771	RHJLRXPYXPLJDR-FZMZJTMJSA-N	237.362	4.761	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CCC[C@H](C(C)C)CC1	92596293	BLDLZFLRXGHKPR-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCCC2(C)C)c(C)c1	94307386	ZOABZEDUPYBZQR-HOCLYGCPSA-N	245.410	4.533	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(CC(C)C)cc1	97467994	RFLHTJNGAIBLJM-KRWDZBQOSA-N	247.426	4.855	0	10	BJAE	
C/C=C\C[C@@H](CC)c1ccc(F)c(C)c1	107560493	VNQQZPHXKMMCIH-TXNVCOODSA-N	206.304	4.594	0	10	BJAE	
Cc1csc(C2CCC(C(C)(C)C)CC2)n1	131824706	KSLRQULGBKXUSQ-UHFFFAOYSA-N	237.412	4.771	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCCC(C)C)NC	133485428	BOJNLKCZLFZVGH-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Fc1cccc(Cl)c1NC1CCCCCC1	135243860	YORLZQKGFUONJU-UHFFFAOYSA-N	241.737	4.614	0	10	BJAE	
CCCC[C@H]1C[C@H](CC)CC[C@@H]1CNCCC	156060780	CLXOUHYFAUXSLG-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C2CCCCCCC2)C1	158834659	BLCLOACFTCMMGE-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)CNC[C@]1(C2=CCCCC2)CCC[C@@H]1C	161466898	DYPRDCNREWUQGG-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H](NCCC)c1cccc(CCC)c1	165940194	QJKXZVCNVRNNRO-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)c1cc(C)ccc1C	167287746	CJPARAGQTBQHCL-GUYCJALGSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@H](C)C1)C(C)(C)CC	169083687	KVGOLQQKNJCXSE-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)c1ccc(C(C)(C)C)cc1	226524563	GRHTZZUEVBHROB-WFASDCNBSA-N	244.378	4.603	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CCCc1ccccc1	229332128	HOLSDZAZOWHFCG-IRXDYDNUSA-N	248.410	4.587	0	10	BJAE	
CCCCC1CCC(N)([C@H](C)CCC)CC1	232926861	NUMJFKSBFMYOBV-WLYUNCDWSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCCC[C@H]1NC	251410921	WYQMVNWWULKDJS-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(F)(F)c1ccc(Cl)cc1Cl	259040321	SURDGWHOQGKAQK-UHFFFAOYSA-N	239.092	4.741	0	10	BJAE	
CC[C@@H](NCCCC(C)(C)C)c1cccs1	300821465	HDDZTDAUVNHONG-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)c1ccccc1C	302435193	SRMFTBAKECXBMW-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CCCCCC[C@H](C)Nc1noc2ccccc12	306055840	UVTNRKNJQJRLEK-LBPRGKRZSA-N	246.354	4.599	0	10	BJAE	
CSc1cccc2sc(S)c(Cl)c12	306849402	NCUQUFZZDOXWAX-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Cc1cc(Cl)cc2scc(C(F)F)c12	306950650	ZQRBQUWGDZQEJN-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CSc1cc2c(Cl)csc2cc1C	307035442	XAOBSFCCMXJQET-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CCC(C)(C)C)NC	308049380	KLUOVTAVGIWTAE-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(-c2cccc(F)c2F)c(Cl)c1	309346488	KTCNTIXYKOYOMY-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CC(C)CC[C@](O)(CC1CCCCC1)C1CC1	310250911	XYDOKCQZBPNYCH-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CNCC[C@@]12CCCCC21CCCC1	311096599	JIJWCGAUOPTOKO-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC(C)CC[C@H](NCCCC(C)(C)C)C1CC1	313262152	AVJDZCIELIDPTA-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC(C)C)CCC[C@H](C)C1	317351614	AQIHZUOTQPQBBT-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@]1(CNCC(C)C)CC[C@@H](CC)C1	318005695	IEYYSIPPTGQKRX-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)CCCC[C@H]1C(C)(C)C	319750458	XJIBUVCVUHUBLA-YXWQFLTLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](Nc1ccc(Cl)cc1)C1CCC1	322821160	GXNXDMBKNVJQTB-AWEZNQCLSA-N	237.774	4.721	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)C[C@@H](C)CC(C)C	379608934	GHRPAQYCSVJVFU-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)NC[C@@H]1C[C@]12CCCCC21CCCC1	381036374	UPGAVVKIBKXIDV-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@H]1CCCC12CCCC2)C1CCCC1	382826478	VVGIYQQPWKGFEP-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](C)C[C@@H](C)CCCCCC(C)C	383180998	MXOBNLQSSGKAJQ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2ccc(C)c(F)c2)CC1	385619643	PVHPEZSAEXJIFW-JOCQHMNTSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@@H](NC1CC(C)(C)C1)c1ccccc1	395166871	DEHGFDWHZZTINH-MRXNPFEDSA-N	245.410	4.696	0	10	BJAE	
CCc1cc(C(F)F)c2sc(CC)cc2c1	396169059	QBCRYAQNGGPRNY-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H](C)C1CCC1	398886496	CFEAGTJBTYHBAJ-AWEZNQCLSA-N	246.394	4.933	0	10	BJAE	
Cc1scc(C(=O)C[C@H](C)CC(C)C)c1C	399942878	VCJUXOZOLBJKLY-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
CCCNC[C@@]1(CC2=CCCC2)CCC[C@H](C)C1	401080799	OFBWYPUWRDWZFK-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CC(C)NCC1(CC2=CCCC2)CCCCCC1	401090781	VKSRTOLSCIPFFT-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
Clc1cccc(Cl)c1NCC1=CCCC1	401172322	OUQHGBUZQZVERY-UHFFFAOYSA-N	242.149	4.516	0	10	BJAE	
C[C@H](Nc1cccc(C2CC2)c1)c1ccsc1	690165486	XFJXJIOJSDXHGZ-NSHDSACASA-N	243.375	4.799	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCCCC(C)(C)C	691056702	ZUHCKRXSQGLXIO-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CCCCC[C@H]1CC	691170347	HAAWXBGETZHAKJ-BZUAXINKSA-N	237.431	4.514	0	10	BJAE	
CC(C)NCC1(CC2CC=CC2)CCCCCC1	692164483	QWEJGLLLFVNHOG-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](/C=C1\[C@@H]2CCCN[C@@H]2C1(C)C)CC	693764828	VJQFGQNHKFOWGX-IUBMQXEPSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@H]1CCCC[C@H]1CNC(C)C	697774357	NDWYOFXVKGJNSC-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)CC(C)(C)CC	697826342	DIXMFCXQCMQBMJ-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1cc(C(C)(C)C)ccn1	699606932	BURZHAZGHTVJDL-GFCCVEGCSA-N	248.414	4.616	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@H](C)CC(C)(C)C	704584310	JGSGLRKMFBBKHS-CHWSQXEVSA-N	228.420	4.636	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CC1CCCCCC1	704993633	LEZJEBRKRBUECZ-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@](C)(N)CC2CCCC2)C1	707685081	VCSNPCDBTHYFCR-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]21)C1CCCCCC1	707832314	GDOAEWRIJTZCMY-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H](C)CC(C)(C)C	708286286	FOEHPBVYEJTXCQ-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CCN[C@H](c1cccc(CC)c1)[C@@H](C)CC(C)C	708311524	DZAKIAHAAVJNSP-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)CC1CCC(C)(C)CC1	708324544	NLOZNUNEVUCKNZ-UKRRQHHQSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@H]2CC3CCC2CC3)C1	709436572	RJYRKXMMYZVUMJ-OPKDVZQQSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@H](C)CC1CCC1)c1cccc(C)c1	710196284	OESQNGXVBMDAIA-PBHICJAKSA-N	245.410	4.614	0	10	BJAE	
CCCCCC[C@@H](NC)c1cscc1Cl	710478347	YHCFUVJGLGMCHU-GFCCVEGCSA-N	245.819	4.632	0	10	BJAE	
Cc1cc(S[C@@H]2CCC[C@@H](C)C2)c(C)cc1N	710684653	AFPPAYUZUOVMIK-ZWNOBZJWSA-N	249.423	4.556	0	10	BJAE	
CC[C@H](C[C@H](N)CC(C)(C)CC)C(C)(C)C	713235788	UHGHHBIJMJKQRG-OLZOCXBDSA-N	227.436	4.602	0	10	BJAE	
CCN[C@H]1CC(C)(C)CC[C@H]1CC(C)(C)CC	713269710	SCWHXQLYOPAYEY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(CN)CCC=CCC1	718068833	SGDUEGAVVGNPKQ-AWEZNQCLSA-N	237.431	4.524	0	10	BJAE	
C1=CCCC(N[C@@H]2CCCC23CCCCC3)CC1	718135710	XXJLAYVRVBLNAE-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
CCc1cccc(CC)c1NCCC(C)=C(C)C	718553199	MIURHKQPNRRLGB-UHFFFAOYSA-N	245.410	4.970	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]2C[C@@H]2C1	718561183	URYNALWPKATWIW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCc1ccc2sccc2c1O	718587855	LOYVVNSECCZVRK-UHFFFAOYSA-N	246.375	4.896	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C[C@H](C)CC	718590220	SPKVNURDNZQGAV-GDBMZVCRSA-N	239.447	4.927	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cccc(Cl)c1	719180202	GDOFYYARLOPIQJ-UHFFFAOYSA-N	236.742	4.659	0	10	BJAE	
CCC[C@H](NC[C@H]1C(C)=CCC[C@H]1C)C1CCC1	1462342289	LSLVFNHRONZOFU-PVAVHDDUSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CCCCCCC1CCOCC1	1900898296	NNVWUUJRDKEWST-UHFFFAOYSA-N	224.388	4.720	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(N)CCCC(C)(C)C1	1905301493	GEKBPJZPINFZLZ-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
C[C@H](CC1CCC1)NC(C)(C)C1CCCCC1	1905573338	PLQAJMBMICZKEY-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1C[C@H]1CCC	1910643535	FFHQZPGLZAPGQG-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
Cc1ccsc1C(=O)C1CC2(CCCCC2)C1	1912628508	LYTPXMZXOFBASL-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCCC[C@H]1CCCCCCCC[C@@H]1NCC	1913426253	MMDBVGYAUKXWLA-HOTGVXAUSA-N	239.447	4.905	0	10	BJAE	
CCc1ccc([C@@](N)(CC)CCCC(C)C)cc1	1920447387	FCXQCWMCQPZMAK-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCCC[C@H](CC)CNCC1CC(CCC)C1	1921220482	OCVFYCLZNCHBMV-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCNC[C@]1(CCC2CCC2)CCCC12CCC2	1921636922	RNDFLOJAORCUOT-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
C[C@](CO)(CCC1CCCC1)C1CCCCC1	1923903845	FBACNLCXVXQBRG-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CC(C)=C(C)CC=C1[C@@H](CN)CCCC12CCC2	1924793099	OFQCLEDDIWLJSR-OAHLLOKOSA-N	247.426	4.588	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C[C@H]1C=CCCCC1	1925918287	SIBNYZRMRMWIOB-HRCADAONSA-N	238.415	4.556	0	10	BJAE	
Cc1cc2sc(C(=O)C(C)(C)C)cc2s1	1934999244	ZKIZLRPWIIOWIS-UHFFFAOYSA-N	238.377	4.500	0	10	BJAE	
Cc1cc(C(=O)[C@H](CC(C)C)C(C)C)cs1	1936209748	RHOFRBSRQCWDGX-CYBMUJFWSA-N	238.396	4.558	0	10	BJAE	
Clc1cccc(NCCCCCC2CC2)c1	1936413631	WKROJMMFVSLPEO-UHFFFAOYSA-N	237.774	4.722	0	10	BJAE	
Cc1ccccc1C(=O)CC1(C)CCCCC1	1940379312	NESBYLFKXAQXEO-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CC2(C)CCCCC2)C1	1940402057	WZDKCXRNMKEFMH-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CC(C)C(C(C)C)[C@H](O)CC1(C)CCCCC1	1940408895	NCFQHXVDQZPSHF-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@@H](C)C(C)(C)C	1940882333	JIEFYRUUKJZDBD-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)CCCCCC1CC1	1941592230	RWPSKQKJFSDHIB-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@H](CNC(C)(C)C)C1CCC1	1942093932	XZMLUZGHSQYSFF-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CCC(C)C)C(C)C	1942656105	AFXVEECQOPYWPB-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)CCC2(C)CC2)C1	1944205862	WCNMJVOFLDKENX-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C[C@@H]1CC1(C)C	1944769993	VSOPHCCSORPHQS-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2C=CCCC2)CC1	1947558007	GFWAULOAUYVZOH-SHARSMKWSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@]1(CNCC)CC12CCCC2	1948072043	FWSSXLAGMRDYSK-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)NCCCCCC1CC1	1948327975	RJJPJIKFDUCZMY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948585590	JMOSHOLLZUEWGQ-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
Cc1c(Cl)cccc1NCC1CC2(CCC2)C1	1949837421	KRAKGMNINAAJAF-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
CCCC[C@H](CCC)NCC1CC2(CCC2)C1	1949845112	FROQIASUMDWOTA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]1CCC(=O)CC1CCCCC1	1949916411	KSGDLYUUCNSMJS-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CCC2(O)CCCCC2)C1	1949937312	OFGAPIMIIDUURZ-FICVDOATSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@H]1CC12CCCCC2	1950663186	XPIZOALZFVQXBE-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@H]1CCC[C@H](C)CC1	1950930915	SIBRZHVESIETMH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CN(CC(C)C)C[C@@H](C)CC(C)(C)C	1968225664	QGVDUOGEVJDNJE-HNNXBMFYSA-N	241.463	4.673	0	10	BJAE	
Cc1cccc(NCC[C@@H]2CCC[C@H](C)C2)c1F	1969469939	HVNLOXQDONHNST-JSGCOSHPSA-N	249.373	4.762	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NC[C@@H]1CCCC2(CC2)C1	1970249934	NASYPUJAVKHABK-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)CCN(C)C[C@@H](C)C1CCCCC1	1970737647	OVFGZARTEMUNSP-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@](C)(CCC(C)=C(C)C)CNCC	1978651819	FDOCXWNNRHZQJL-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
C[C@@]1(CC[C@H]2C=CCC2)CCCCC1(F)F	1979996308	JKMIDCFIDTYOEF-STQMWFEESA-N	228.326	4.948	0	10	BJAE	
CN[C@H](CCCC(C)=C(C)C)c1cccs1	1980693526	XTEYPXNFRUBWFX-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
CCCC1CCC(C[C@@H](C)C(=O)CC)CC1	1989836473	GDGANUMFXAWEBS-IYXRBSQSSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)c1cc2cc(Cl)cc(C)c2[nH]1	1989861349	MGEOHBIUNAIBIC-UHFFFAOYSA-N	235.758	4.817	0	10	BJAE	
C=CC=CCCc1ccc(CCCC)cc1	1992376391	YQDVMIGEGYJZHO-UHFFFAOYSA-N	214.352	4.704	0	10	BJAE	
Cc1cc2occ(C3CCCC3)c2cc1C	1995497803	GAOXAQOQBMWQOP-UHFFFAOYSA-N	214.308	4.707	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)C1CCC(C)(C)CC1	1996553404	PHVYLYPELPEGDL-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](CCC1CC(C(C)(C)C)C1)NCC	1998234716	MAHMNPMCKCGZMV-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1[C@H](CC2(O)CCCCCCCCC2)[C@@H]1C	1998558119	VRSKGQXKMRWOBU-QDMKHBRRSA-N	238.415	4.534	0	10	BJAE	
CC1CC([C@@H](C)Nc2cccc(C(C)C)c2)C1	1998658062	OJTPZVDMARWNLM-JVWICGRDSA-N	231.383	4.657	0	10	BJAE	
CCNCC(C)(C)CC[C@H]1CCC=CCCC1	1999987961	LHSHVXPDMRLMMQ-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CC1(C)CCCC1	2000294750	YECBLAKQLNZRGO-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
CN(C1CCCCCC1)[C@H]1CCCCC1(C)C	2000765903	AXTFODISJJBJRK-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(O)[C@@H]1CCC[C@@H](C)C1	2003017753	SZALFTIGGGMOGT-QXSJWSMHSA-N	240.431	4.636	0	10	BJAE	
C1=CCCC(NC2CCCCCCCC2)CC1	2003092409	GWVLMPCLYVVTSO-UHFFFAOYSA-N	235.415	4.578	0	10	BJAE	
CC1(C)CC[C@H]([C@H]2CCCCCCC[C@H]2O)C1	2003115924	FPDARILHYCBODJ-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@@H]1CCC2(CC2)C1	2003197129	JJFXGKJZIWYDET-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)CN[C@@H]1C[C@@H](C)C[C@@H](C)C1	2004711028	FSWFWAFVPIMNNQ-FOLVSLTJSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)[C@@H]1CCCCC12CCC2	2005563769	MSFSXSQIMZCQNH-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCN1CCCCC12CCCCC2	2009568647	GHNFUAQHZZVYDZ-NSCUHMNNSA-N	235.415	4.532	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCCCC[C@@H]1NCC	2009609857	BLOWYLCQRCVXLF-CFSAUIFESA-N	237.431	4.681	0	10	BJAE	
CC=CCCCC1(CNCCC)CCCCC1	2009618015	YFMCHMUUNHLTIQ-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCC(C)(CC)[C@H](NC)C1=CCC(C)(C)CC1	2010712630	JTMFYGWLFBGFTR-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC(O)(CCC[C@H]1C[C@H]1C)CC(C)C	2011562289	GQAASLKOYRBCES-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C[C@@H](O)C(C)(C)C(C)(C)C)C(C)C	2015275879	UBYGHRNCJLJLGY-CQSZACIVSA-N	242.447	4.738	0	10	BJAE	
CC(C)NC[C@@H](C)CCCC(C(C)C)C(C)C	2015345420	RPOYCNCUUXLLFT-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CCc1cccc(C)c1NC[C@@H](CC)C(C)C	2016105515	FWXKCTXZXYBULZ-OAHLLOKOSA-N	233.399	4.652	0	10	BJAE	
CC(C)=C(C)CNCC1(C)CCCCCCC1	2017466390	LTNSGGZLWNEULJ-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(C)CC[C@@H](O)C2)CC1	2017724549	GPPRABLBLZOUBR-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2CCC(N)CC2)CC1	2017736674	HXQVIPWTIWSHEL-MSBXVQKDSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1c(C)cc(C)cc1C	2017746601	MRRMBSNVVPDRMZ-AWEZNQCLSA-N	233.399	4.848	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](CC)C1CCCC1	2018130672	PJIQWFOLKQSYRM-HZPDHXFCSA-N	239.447	4.904	0	10	BJAE	
CC1(c2csc([C@@H]3CCCCC34CC4)n2)CC1	2018309717	KBHKZSAJVYERDY-NSHDSACASA-N	247.407	4.632	0	10	BJAE	
CCC1CCC([C@@](C)(O)CC2(CC)CC2)CC1	2018975901	UQMQMIIIYMHSQB-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1C[C@@H]1C1CCCC1	2022566092	SGWNYSZHFCJZHR-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC(F)(F)CCCCC=CCCNC(C)(C)C	2023299204	IQFFXIOPWPVUTJ-UHFFFAOYSA-N	247.373	4.536	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CCCCC(C)(F)F	2023312211	SIJWWRAJMMJCDX-TZMCWYRMSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CC(C)(C)C1(C)C	2025017498	BGGDWYBPWGEGHC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1=CCCC1)C1(C)C(C)(C)C1(C)C	2027153342	RLTUADQSNOWRSM-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1C[C@H]2CCC[C@H]21	2027320669	WVWNPNHTSHRNKQ-XJKCOSOUSA-N	243.394	4.585	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C(C)(C)C1CC1	2028872967	QETIAMKMQVTSGJ-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCCCC1)[C@@]12CCCC[C@@H]1CCC2	2031848385	DQTZXMKFNPIJOD-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CC(C)=C(C)CCNc1cccc(C2(C)CC2)c1	2032243016	PSCABFDUXLOBJU-UHFFFAOYSA-N	243.394	4.896	0	10	BJAE	
CCCN[C@@H](c1ccccc1C)C(C)(C)C(C)C	2032343528	HIHFOTKKJHPFNL-INIZCTEOSA-N	247.426	4.718	0	10	BJAE	
CC1(CCCN2CC=CCC23CCCCC3)CC1	2032663810	OGYOKUKCWVYQHS-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
C[C@H](CN[C@H]1CCCC2(CCCC2)C1)C1CCC1	2034361759	DKGGKCRGXASOII-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@@H]1CC12CCCC2	2036096523	LCHJPKSJXRLCKO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(C2CC3(CCC3)C2)CC1	2037135246	GTLSIUDQQTYQOO-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(=C2CNC3(CCCCC3)C2)CC1	2037761053	GBTKXUQVGKDNSS-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C[C@@H](C=C1CCC2(CCNC2)CC1)CC(C)(C)C	2038432268	AVCLYACFEHHDJB-MBIQTGHCSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@@H]1CC12CCCCC2	2038996999	PPDNGLJQQRGGCT-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@]1(N)CCCC2(CCC2)C1	2041289755	LAVKVPHMPNXOBT-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC1CC([C@@H](C)Nc2ccc(C3(C)CC3)cc2)C1	2043544602	SLVHLWKVIPOQQH-ROKHWSDSSA-N	243.394	4.585	0	10	BJAE	
C[C@@H]1C[C@H]1c1ccc(C(=O)CCCC2(C)CC2)o1	2045564187	YPAPVKFLSIIXCD-VXGBXAGGSA-N	246.350	4.556	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CN[C@@H]1CCCCC12CCCCC2	2047598416	XZJJFIOMVBHHBF-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2049212594	UAEDJULAKWZCCG-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@]1(CC2CCC3(CC2)CC3)CCCN1	2049853872	IDAQAJBWXVYNIL-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C(C(=O)C[C@@H]2CCCC3(CC3)C2)C1(C)C	2049939373	AYDDJMFGKBCODQ-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC[C@@H](C)C(C)(C)C)c1cccc(C)c1	2050455917	LBLMQRABOSZQNI-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
CCC1(C)CCC(NC2[C@H]3CCC[C@H]2CC3)CC1	2051593717	QJJCVXSKDFFSFP-JPQBHMHHSA-N	249.442	4.514	0	10	BJAE	
CN(CCC1CCCC1)[C@H]1CCCCC12CCC2	2053433359	FRPHEZXFVNDASK-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)NC[C@@]1(C2CC=CC2)CCCC1(C)C	2053697074	KALRNPCDKSPICK-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](Nc2ccc3ccccc3c2)CCC1	2055558315	OSNVZBLYZGFJSH-MRXNPFEDSA-N	237.346	4.751	0	10	BJAE	
C[C@@H](Nc1ccc(CF)cc1)C1(C)CCCCC1	2055672200	QDNJTVVDFZUNJX-CYBMUJFWSA-N	249.373	4.927	0	10	BJAE	
CC1CCC(C)(CN[C@H]2C=CCCCCC2)CC1	2056536895	SGAHJGOOIUBXLZ-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NCC	2059258642	ILBICBJZIKFBRN-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H]1CCCCC12CCC2	2059261826	HPPBHNNXLNQPOV-PIGHNIFASA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@@H]1CC(C)(C)CC[C@H]1CNCCC	2061563132	LVRGSVRMNHDPKG-CVEARBPZSA-N	249.442	4.550	0	10	BJAE	
O=C(CC1CCCCC1)CC1CC(=C2CCC2)C1	2061695531	DVFZZEIMISJRQC-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CC1(C)CC2(CC(C[C@@](C)(N)C3CCCC3)C2)C1	2063204831	UMVNIEKPOOQKHP-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC12CCC(CC1)CC2)C1CCCCCC1	2065281748	JEHJZEFZHCZOAH-WIHSUSGWSA-N	249.442	4.645	0	10	BJAE	
CC[C@@](O)(CCC(C)C)c1cccc(C(C)C)c1	2065989141	ACRAZEZTBIYMER-QGZVFWFLSA-N	248.410	4.844	0	10	BJAE	
O=C(CC1CCCCCC1)CC1C[C@@H]2CC[C@H]2C1	2068713676	PQNJLIRAJIRREF-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1C(=O)CC(C(C)C)C(C)C	2068992578	ZWFXEGVZKUJVCE-UHFFFAOYSA-N	246.394	4.804	0	10	BJAE	
C[C@@H](Nc1ccc(C2(C)CC2)cc1)C1CC=CC1	2070793998	GXXSXJCDBFVFPZ-CYBMUJFWSA-N	241.378	4.505	0	10	BJAE	
CC(C)(C)C1(NC[C@@H]2CC23CCCCC3)CCC1	2071870091	BVKRSUMNEDYRGU-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(C[C@@]2(N)CCC[C@@H](C3CC3)C2)CCC1	2071945169	DGIOUHYFLZKMFL-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNCC(C)C)CC=CCC1	2072408353	FLQOFSWAWPYHNE-KRWDZBQOSA-N	249.442	4.705	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@@H]2CCC3(CCC3)C2)CC1	2072682817	YBRWFOALLHOAGU-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@H]2CCCC3(CC3)C2)CC1	2072699978	FHMINXPMHLPKMS-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@@H]3C[C@H]3C2)CC1	2072800949	JHVHTNHZATVITD-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC=CC[C@H]2C)CC1	2072805302	AVEQAHFUMNHPHH-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@H](CCCC(=O)c2ccccc2)CC1	2072880773	ZOYVJXPJJVQFEB-SHTZXODSSA-N	244.378	4.866	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@H]2CCCC23CC3)CC1	2074643968	LSZWLWZYTASFTD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](N2CCCC[C@@H]2C2CCC2)CCCCC1	2074795294	UIFJKYNJOICCGR-IAGOWNOFSA-N	247.426	4.530	0	10	BJAE	
C[C@](O)(CCC1=CCCCC1)[C@]12CCCC[C@@H]1C2	2075711313	XONGDHHKGMVWAM-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
NC1(C[C@H]2C[C@H]2C2CC2)CCCCCCCCC1	2079303273	NBBOSEJAENEJQO-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]1C1CCCCCC1)C1(C)CCC1	2079530673	RIOVIECRWVKVLY-IMJJTQAJSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2080221639	UBNZPNWDJZALJC-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)CC2C[C@@H]3C[C@H]3C2)C1	2082982614	MAKOSYMNQCXJAY-BPLDGKMQSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H](NC2CCC3(CCC3)CC2)C1(C)C	2084360897	HQJKGIWSKGHVAC-AWEZNQCLSA-N	249.442	4.514	0	10	BJAE	
CC(F)(F)CCCC/C=C/c1ccccc1	2210661837	GDIUVVLUDZMPOW-WEVVVXLNSA-N	224.294	4.915	0	10	BJAE	
Cc1ccc(CC=Cc2ccccc2)c(Cl)c1	2213823225	QFZIRMLIMBOLEB-UHFFFAOYSA-N	242.749	4.904	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](CCCCC2CC2)C1	2214568667	KFLVMWZCLCSXMC-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC[C@@H]2C[C@H]2C)CC1	2215331537	LAZBLOIUMMHJFN-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)NC[C@@]1(C)CC=C(C)CC1	2215823316	HOGLSNKWSNFAHE-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCCCN(C)CCCCC(F)F	2216484000	LALUHVXOMPVYRM-UHFFFAOYSA-N	249.389	4.570	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CCCCC(F)F	2216515673	TURJVSJWLZGGIT-GFCCVEGCSA-N	246.341	4.742	0	10	BJAE	
CC[C@H](C)C1(CN[C@H](C)CC)CCCCCC1	2217136148	HYYBOBVZDCYPSI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1C=CCCCC1	2217241321	OPGTUEWONPEGBD-CQSZACIVSA-N	249.785	4.813	0	10	BJAE	
N[C@H](CC1CCCC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218353938	MWNPNZVTGYACIV-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCNCC1(C2CC2)CCC1	2218725346	LWNXOYWAZBBWHV-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNCCCCCC1CC1	2218749779	LNASMBNTVPQZDO-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2220961204	PAKTWPBSQUCGQU-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2(C)CC3(CCC3)C2)C1	2221085342	DPUNWZZFQMVUST-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(NC[C@@]2(C)CC=C(C)CC2)CC1	2221644041	QRGQXPMDQFFTOO-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1cccc2ccoc12	2224192888	VCHJUPKHYACXNA-GFCCVEGCSA-N	244.334	4.688	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cc(C(F)F)cs1	2244803289	SABULGBUTIPZHO-KWQFWETISA-N	247.354	4.512	0	10	BJAE	
CCCCCC1CC(N)(CC2(C)CC(C)C2)C1	2246521327	YTUBTKMJCIPKST-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCCC(=O)C2)C1	2246664885	QLERHWPEMQQQNM-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)CC[C@H]1CCC[C@@H](C)C1	2246667002	XEMYEAVYTGTGAP-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C(=O)CC[C@H]1CCC[C@@H](C)C1)C(C)C	2246681915	WYRWEEXPHVAKLC-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC[C@H]2CCC[C@@H](C)C2)C1	2246693920	KPBBYIFTMZGPLM-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC1CC2(CCCC2)C1)NC	2246815669	RKXJQPKINSBEPU-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CCCC[C@H]1C[C@H]1C)c1ccc(N)cc1	2247113277	CZYYYNAFHGKRLL-NFAWXSAZSA-N	231.383	4.589	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@]1(O)CCCCCC1(C)C	2247423486	WVLMRHGCALCMEG-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@H]1CCC1(C)C	2247431795	JFOZMUMUDQKHFP-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC(C(C)(C)C)C(C)(C)C	2247722423	OZPCPDDRDOIJPO-GFCCVEGCSA-N	241.463	4.862	0	10	BJAE	
Cc1ccc(NCCCCC[C@H]2C[C@H]2C)cc1	2248866769	RMYAZBLRQWXFFI-CABCVRRESA-N	231.383	4.623	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](C)(N)CC(C)(C)C	2248878200	IPHLIBFFCXVWOT-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC(C(C)C)C(C)C)NC	2250360769	IOIHMBVGIFJIAK-GOEBONIOSA-N	241.463	4.719	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1C[C@H](C)CC1=O	2250490204	GQMTVXOUOHYTKS-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CC1=C[C@H](NCC[C@@H](C)CCCC(C)C)CC1	2250490343	IDZOSNLSDFSUBI-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC[C@]1(N)CC(C)(C)CCC1(C)C	2251663721	VILUSYDMMMYVCY-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC(C)=C(C)C[C@H]1[C@H](O)C(C)(C)CCC1(C)C	2251709767	ZGCLTGPJZCVDEY-KBPBESRZSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)CC[C@H]1CCCCC12CC2	2253798568	XMLCCJQYPHBDOX-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN1CCCCC12CCCC2	2254608389	KACVAVXSRXISLT-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@@H](CC2=CCCCC2)C1	2255094399	APETXIVZGZWJIU-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CC(C)(C)C[C@H]1C	2256141709	KGYSAHANMXSDPP-RISCZKNCSA-N	249.373	4.625	0	10	BJAE	
CCc1ccccc1OCCCCC[C@@H]1C[C@@H]1C	2257248963	RBRYEOUIBRFDNW-GOEBONIOSA-N	246.394	4.844	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@H]1C[C@H]1C1CC1	2257281173	HJYUXNUQVHWGAC-DYWXZXKOSA-N	248.410	4.598	0	10	BJAE	
CCc1occc1C(=O)CCCCC[C@H]1C[C@H]1C	2257283992	PQTLONQLFLWTBY-OLZOCXBDSA-N	248.366	4.631	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNC1(C2CC2)CCCC1	2257314536	GSCBDVMTONIJMY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)c(NC[C@@]23CCCC[C@@H]2CC3)c1	2260584220	UHJROYFDDCNJIA-CJNGLKHVSA-N	247.357	4.516	0	10	BJAE	
Fc1ccc2c(c1)[C@H](CCCCC1CC1)CCN2	2261348745	PCCBPCSSIUPDHI-CYBMUJFWSA-N	247.357	4.695	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)C[C@@H]1CCC[C@H]1C	2297876991	SOMHMVOWOWDFJB-WCVJEAGWSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(O)CCCC(C)C	2300471505	JONWUBBUTVRPSE-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C1=CCCCCCC1	2300476852	VPLNNNQCRAQNJI-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)CCN1CCCCCCCCC1	2300683285	IBNYCHADYUYNOK-UHFFFAOYSA-N	239.447	4.859	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C(C)(C)C(C)C	2300882774	XRFZOZSOYCTCJR-OAHLLOKOSA-N	239.447	4.783	0	10	BJAE	
CCC(C)(CC)CN(C)CC1CCCCCC1	2301144989	JVSONVVNJKFZQV-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC(C)C1(C(=O)CC2CCCCCC2)CCC1	2301247627	SDXMSNKNWVJMMF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCc1ccc([C@H]2CC2(F)F)cc1	2302224200	CIMLCPARBONGDG-CQSZACIVSA-N	238.321	4.788	0	10	BJAE	
Cc1ccc(C(F)(F)F)cc1CCCC(C)C	2302231975	YNHGPIPGMSQDGV-UHFFFAOYSA-N	244.300	4.993	0	10	BJAE	
COC(C)(C)c1ccc(-c2csc(C)c2)cc1	2302243428	ZWFMBGQCRSRDRC-UHFFFAOYSA-N	246.375	4.605	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303471429	LWUFADKSDLSMQG-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CN1CC(C)(C)CC1(C)C)CC(C)(C)C	2303709257	CPXVKCMQLCNBEG-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)CN(C)CC1(CCC)CCC1	2307749011	GDUSSQHJNFGPEB-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(C[C@@H](CC)CCC)C1	2307906782	IKSQVRPVODFRNP-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCCC[C@@H]1C[C@H]1C)c1ccco1	2310431256	OHSLBFZKZCHSGI-KFWWJZLASA-N	249.398	4.537	0	10	BJAE	
CCCC1([C@@H](C[C@@]23CCC[C@@H]2C3)NCC)CCC1	2310882134	HBFLQVCONNXXPN-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@@]12CCCC[C@@H]1C2	2311130972	ANGPSJXCAHPUAN-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)C[C@@H]2C[C@H]2C(C)(C)C)C1	2311610037	ZBMLMWKPVJUDMP-UQOMUDLDSA-N	248.410	4.620	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)[C@@]12CCCC[C@@H]1C2	2312997163	GRTJDAJXFZRPFW-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)[C@H](O)c1ccc(C)c(CC)c1	2314702208	KFDXPZKEAGWICL-KRWDZBQOSA-N	248.410	4.807	0	10	BJAE	
CC(=CC[C@@H](N)[C@]12CCC[C@H]1C2)CCCC(C)C	2316559126	DWUWMHUTCNOCKN-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@H]1C[C@@H]2CC[C@H]1C2	2318508353	ZWXBCMMQRKXYST-PMPSAXMXSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1C[C@@H]1CCCN(C)CCCC1=CCCCC1	2318580208	XVQTYDYFPZLPLR-RDJZCZTQSA-N	249.442	4.635	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)[C@@H](C)C1CC1	2318588519	GYEJGNXKXUMFPR-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)[C@H]1CCCC12CC2	2318595163	NBMWYOQIKKDSOH-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)C1CC=CC1	2318597531	MACCOCBGNPSDMM-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CCC(C)(C)C2)C=CCC1	2319069422	YVQOPADSYVQXBB-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@@H]2CC[C@@H]2C2CC2)C1=O	2319732814	DQZASUTVRSGACR-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H]1CC[C@H]1C(C)(C)C	2320210371	BNZMHSKENRJACY-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@H]1CCC(C)=C(C)C1	2320329376	TYPIGXBIWOCILO-DLBZAZTESA-N	249.442	4.977	0	10	BJAE	
CC1=C(C)C[C@H](NCC2(C(C)(C)C)CCC2)CC1	2320412680	KRLNUGFXKUQIIY-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@H]2C[C@](C)(F)C2)c1	2320576890	WORYSEBZQHUCHL-YGUOUDRMSA-N	248.341	4.521	0	10	BJAE	
CC(C)c1cccc(CC(=O)CCC2(C)CC2)c1	2320653170	GSCUXYVUTFJMRY-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)C23CC(CC(C)C)(C2)C3)C1	2321636406	IOOPAXWMUJMDPH-HOBHPSKFSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@@H]2CCC[C@@H]2C)c1	2327676802	BGUFPRCPYQSVIU-YSVLISHTSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@H]2CC[C@H](C)C2)c1	2327681872	SUUHBNGVPSCYPX-JSGCOSHPSA-N	244.378	4.737	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@H]3C[C@@H]2C3)c1F	2327806998	ABCWLFLAVQISNT-MBNYWOFBSA-N	247.357	4.550	0	10	BJAE	
CCC[C@@H](C=C1[C@@H](CN)CCCC12CCC2)CC	2328085274	MENABJUZYJHHOB-LSDHHAIUSA-N	249.442	4.668	0	10	BJAE	
Cc1cnc(-c2ccccc2)cc1-c1ccccc1	5331163	UTSRDZGRYCSCJK-UHFFFAOYSA-N	245.325	4.724	0	10	BJAE	
Cc1cccc(-c2csc3ccccc23)c1	16945996	GTBUGNUDCUEVRG-UHFFFAOYSA-N	224.328	4.877	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCc2ccccc21	20520254	SCYNCCXRKFTMNA-YOEHRIQHSA-N	245.410	4.622	0	10	BJAE	
COc1ccccc1NC(CC(C)C)CC(C)C	21509133	PUFFZLHMVSZENQ-UHFFFAOYSA-N	249.398	4.568	0	10	BJAE	
CCCCNc1ccc2oc3ccccc3c2c1	21519932	QONFVXCUCZABPA-UHFFFAOYSA-N	239.318	4.798	0	10	BJAE	
CCN[C@@H](CC(C)C)c1ccc(C(C)(C)C)cc1	35548344	IITPNKRMKWXPAL-INIZCTEOSA-N	247.426	4.681	0	10	BJAE	
CCOC(CC[C@@H](C)CCCC(C)C)OCC	43502935	GRHKBSIHANYDNG-AWEZNQCLSA-N	244.419	4.628	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C3CC3)C2)cc1C	81623911	NUZJMRAQYLPSBK-JKSUJKDBSA-N	243.394	4.684	0	10	BJAE	
CCCN[C@H](CC)CCCCCc1ccccc1	83825528	KDQWRVVCNGWDQA-QGZVFWFLSA-N	247.426	4.568	0	10	BJAE	
CC1CCC(Oc2ccc(C(C)C)cc2)CC1	85151396	PVIBDFSFLFNNCA-UHFFFAOYSA-N	232.367	4.768	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C)CC2)cc1C	86879002	AUABAHZTWMAAHH-DOMZBBRYSA-N	231.383	4.684	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](C)c1cc(C)ccc1C	88296298	KXIXGIWTCZUETG-RCBQFDQVSA-N	247.426	4.779	0	10	BJAE	
CCCCC[C@H](NC[C@H](C)CC)c1ccccc1	103973283	NWNMFTVDIKDMFP-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CCC(CC)(CNC(C)C)CC1CCCCC1	104004958	PPCMMYIGKYCHEN-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC(=O)c1cc(-c2ccccc2)ccc1Cl	107999167	LUJUAQFTIGTQQB-UHFFFAOYSA-N	244.721	4.600	0	10	BJAE	
CCCCC[C@H](N)c1cc(C)c(C)cc1Cl	122208554	CNBAYPWBAVEDNG-AWEZNQCLSA-N	239.790	4.537	0	10	BJAE	
Clc1cccc2c1ccn2[C@@H]1C=CCCC1	123744447	YRBRVNNAETVCFU-LLVKDONJSA-N	231.726	4.576	0	10	BJAE	
CCCCCC[C@@H](N)CC1CCCCCC1	124879063	IRFQOAOVVTXDGT-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CC[C@H]1CCC[C@H](Oc2ccc3[nH]ccc3c2)C1	126527551	LOQQTNXKFIGVEE-JSGCOSHPSA-N	243.350	4.516	0	10	BJAE	
CC1(C)CCC[C@@H](NCC2CCCCCC2)C1	149553674	FUSCUVFHKAWFBD-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](c2nc3ccc(Cl)cc3[nH]2)C1	206888169	VNRMUOMIECBXBJ-UWVGGRQHSA-N	248.757	4.510	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@@H]1C(C)C)c1ccco1	214894684	OUQOFOVOMMVKBD-ILXRZTDVSA-N	249.398	4.535	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H]1CCC[C@@H](C)C1	218020415	DZQOMFOEZDPLOW-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccccc1OCc1ccccc1	221222722	IXSKWXOPHQEOTF-CQSZACIVSA-N	240.346	4.779	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)CCC1CCCCC1	229269543	GUSYNUJWANCNHI-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1cc(F)cc(Cl)c1	229990584	AWBLAGLIXIESKW-SNVBAGLBSA-N	243.753	4.716	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCC[C@H](C(C)C)C2)c1	230995365	HBGSMBLFWIMHLV-DZGCQCFKSA-N	249.373	4.761	0	10	BJAE	
CCCC1CCC(O)(C2=CCCCCC2)CC1	232947799	NTQRRCKJQJNKQD-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1ccoc1Cl	232978797	CMSBWPRWTYAVRU-PWSUYJOCSA-N	243.778	4.539	0	10	BJAE	
CCCCC[C@H](C)NCC1(C)CCCCC1	232980222	NNYSAESCSBERGA-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1(C)CCCCC1	233913017	ISIRIVRPUMQMKX-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](CC)C[C@@H](C)CC	251662675	BXIUKLRFCDDZFX-GUTXKFCHSA-N	227.436	4.616	0	10	BJAE	
CC[C@H](C)c1ccc(-c2nc(C)c(C)s2)cc1	259154575	DOYSRTBHTIOFJL-JTQLQIEISA-N	245.391	4.940	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@@H]1CCC[C@@H]1C	302281327	JEOXBSXPOVVIMO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cc2cc(C)ccc2o1	305991266	JGOMPBRTMVMUFK-GFCCVEGCSA-N	244.334	4.750	0	10	BJAE	
CCN[C@@H](C)c1cccc(C2=CCCCCC2)c1	306078767	BMABPHWAKPWYIT-AWEZNQCLSA-N	243.394	4.705	0	10	BJAE	
Cc1csc2cc(C(F)F)c(Cl)cc12	307526883	JTCGQSWVMQVLCO-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
Fc1cc2sc(Cl)cc2cc1C(F)F	307646194	BKLXDZOVMQJETL-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC(C)(C)C2=CCCC2)[C@@H]1C	308754961	JSFSOIOKMAANRV-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
CC[C@](C)(CNCC(C)C)C[C@@H](C)CC(C)C	309994251	OJKHXGMYOJLTIX-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	310110039	FCWCWWOARKYCAH-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CC1CCC(CCN[C@@H]2C=CCCCCC2)CC1	310656240	PWBZRIHGKQXELX-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CC(C)C(N[C@H](c1ccccc1)C(C)C)C(C)C	310666522	GIEYTIIQGQTEGB-KRWDZBQOSA-N	247.426	4.654	0	10	BJAE	
Cc1ccc([C@H](O)C[C@H]2CCC[C@H](C)C2)c(C)c1	310731707	DYMGLBIVKYJEAR-YLQAJVPDSA-N	246.394	4.553	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1)[C@@H](C)CC(C)C	310770044	SXNOLZQMUYWTOS-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@@H](C)CCC(C)(C)C	311023604	VJNYDWPVCKAZNS-GJZGRUSLSA-N	247.426	4.860	0	10	BJAE	
CC(C)=CC[C@]1(CNC(C)C)CCCC[C@H]1C	317970358	TYDDLLCTUXSFIK-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
C/C=C\CC1(CNC(C)C)CCC(CC)CC1	318139566	YJRKQWSFJYQWTE-ALCCZGGFSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](N[C@@H](CC)C1CC1)c1ccccc1	323793733	DTYAGDPYOXJACA-DLBZAZTESA-N	245.410	4.696	0	10	BJAE	
Cc1ccccc1[C@@H](O)C[C@H](C)C1CCCCC1	380909148	SZRIOZVYCYQYEB-YOEHRIQHSA-N	246.394	4.635	0	10	BJAE	
C/C(=C/C1CCC(C)(C)CC1)C[C@H]1CCCCN1	380998289	HDALBKOALSGXRT-OBEJXRGXSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC23CCCC3)c1	383012857	BNJULSTULDBCGO-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
CCCN[C@H](C)CCCCCCCC(C)C	383177208	MEYMIYYOLHGMKN-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@H](C)c1ccccc1	384344884	YOQUGHDLLMVKBM-ZOBUZTSGSA-N	248.410	4.758	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H]1CCCC[C@@H]1C	384499943	CAXOWIDKUOOTSD-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
C/C=C\CCN[C@H](C)c1ccc(CC(C)C)cc1	384568877	YTVVRRJVFRZLJY-IYKSTZQJSA-N	245.410	4.502	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)CC(C)(C)C)s1	384678355	ZWXYGJASSVURNW-ZYHUDNBSSA-N	239.428	4.532	0	10	BJAE	
CC(C)/C(=C/C1(C)CCCC1)CNC(C)(C)C	394692981	QDIVRAONOUBCBT-SDNWHVSQSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)CCC(C)C	394727621	FUBICAMATDMBBL-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CC(C)CCCCNCCCC1CCCCC1	395246192	XXIISHDADJJJAW-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CSc1cc2sccc2c(F)c1C(F)F	396231527	AFVRXYKTLUDCFG-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
C[C@@H](CCC1CC1)NCC1CCCCCCC1	398139567	ZAQRDQMAAPJLSM-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1scc([C@@H](N)C2=CCCCCCC2)c1C	399880826	TXDZDJQJBOYFHO-HNNXBMFYSA-N	249.423	4.645	0	10	BJAE	
CCN[C@H](CC(C)(C)C1CC1)C1=CCCCCC1	405714106	BCXHCWSHMAOGDD-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](NCCC(C)(C)CC)C1CCCC1	686309233	WMXFKUOMFRSNFX-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](N[C@H]1CCCC[C@@H]1C1CC1)C1CCCCC1	696105885	RKQGLJIPMVXDFJ-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)c1cccc(C)c1	696219306	HFCLXOZHSDXEEJ-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)c1ccc(C)c(C)c1	696684515	QFELIACWHRAKCJ-QGZVFWFLSA-N	248.410	4.727	0	10	BJAE	
CCC(C)(C)CCNc1ccc(C)c(C)c1	696701241	HIIIXMWPMQBWPH-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CCC(C)(C)CCNc1cccc(Cl)c1F	696757205	KLIAJKKJFQOXFO-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1ccc(C(C)(C)C)cc1	697603184	AZPVXBKMVFAFIP-MRXNPFEDSA-N	246.394	4.764	0	10	BJAE	
CC1(C)CCC(C[C@](C)(N)C2CCCC2)CC1	704896345	BDJXOVFUAVFLLH-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1n1ccc2cc(F)ccc21	704960475	ZJLXWFPFDKJAOM-FZMZJTMJSA-N	231.314	4.532	0	10	BJAE	
CN[C@@H](CCC1CCCC1)[C@H](C)CC(C)(C)C	708297687	SIRBMRRPZJVXPE-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc([C@](C)(O)C[C@@H](C)CC(C)(C)C)c1	709070424	CHRWKZUZNQMZFS-WMLDXEAASA-N	248.410	4.665	0	10	BJAE	
CCN[C@@H](CC[C@H](C)C(C)(C)C)C1CCCC1	710752081	HJWREVNEXNDWLS-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](C[C@@H](CC)C(C)(C)C)NC	711176885	FALKJIDEDDVLEL-BYNSBNAKSA-N	241.463	4.719	0	10	BJAE	
CCNC[C@@]1(CC(C)(C)CC)CCC[C@H](C)C1	713337496	ZOVQPYSTSSYUGT-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C\CCC(=O)c1ccc(C(C)(C)C)cc1	713673507	MOMBRRHKACMVCH-SREVYHEPSA-N	242.362	4.689	0	10	BJAE	
C=C/C=C/CC[C@H](NC)[C@]1(C)CC[C@@H](C)C1(C)C	713728094	LJQAVSLIKIZMEB-ACZKXNLGSA-N	249.442	4.559	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1ccc(F)cc1C	718524510	FTBJQDRDMUPRKM-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CCCC1CC1	720202421	KPYAIKFBTKDMMF-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
Cc1csc(C)c1C(=O)C12CCC(CC1)CC2	724952689	XWTLPCMPQLDFAZ-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
C1CCCC(NC[C@H]2C[C@H]2C2CCCC2)CCC1	1653266108	JFZWRDJHGLDGCF-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CCc1cscc1NCC1CCCCCC1	1902376461	IMNVCYXMPLQBBC-UHFFFAOYSA-N	237.412	4.693	0	10	BJAE	
C[C@H]1C(CC2(N)CCCCCCCCC2)[C@@H]1C	1908007936	MGOPGBFZRBEBEZ-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C=C1CCC[C@H]1[C@H]1CCCCN1	1912042195	IFHICWYEGLTKGG-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)CNCCC=CC[C@H](C)CC(C)(C)C	1912136231	NWVCRTASIVARAC-HNNXBMFYSA-N	239.447	4.641	0	10	BJAE	
NCC1(CCC2CCCC2)CC2(CCCCC2)C1	1912550299	CBKLXEVLCCGOEH-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCCCCCCC[C@H]1N	1913431116	RZKWHIWNCOOYGO-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1CCCC[C@@H]1C	1920188029	SJQSEOTZCLJPJF-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(F)ccc1C(=O)[C@@H](C)C1CCCCC1	1924100859	ZECHWOKCKQMWMF-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)c1ccc(Cl)cc1	1925768491	IWQWCPNTDANCIH-LBPRGKRZSA-N	248.753	4.659	0	10	BJAE	
Cc1ccc2c(ccn2C[C@@H]2C=CCCCC2)c1	1925795372	SSCKVXLQUMAMQN-OAHLLOKOSA-N	239.362	4.696	0	10	BJAE	
CCc1ccccc1C[C@H]1C=CCCCC1	1925815067	SDQUOAFIKGXIIT-AWEZNQCLSA-N	214.352	4.538	0	10	BJAE	
CC(C)Cc1cccc(C(=O)CC2CC(C)C2)c1	1927023377	CGXXMDAZFVGHEM-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)c1csc(Cl)c1	1933599477	ICKPYPVTOWHACR-JTQLQIEISA-N	246.803	4.507	0	10	BJAE	
CCC[C@H](CNC1CC1)CC1(C)CCCCC1	1940405597	JEPRZJRIVJOTDH-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(=CCCNC(C)C)CC1(C)CCCCC1	1940406114	BVUWHBZFQAAWFU-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](C)c1cccc(N)c1	1940976467	MWWJUNVYNIEZLP-WOSRLPQWSA-N	231.383	4.589	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H]3CC[C@H]32)cc1Cl	1941018574	DTFFTJHDPUMLLP-UXIGCNINSA-N	249.785	4.503	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)C1CCCCCC1	1941263681	PDFIHMXYTRUOSI-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(CCC1CCC1)CC1CCCCC1	1941475068	QUDWBZBXWNPEGV-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC(CCC)NCCC1CCCCCC1	1941719736	FOVRBGIDCALIRK-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCC1CCC(C(=O)[C@@H](C)CCC(C)C)CC1	1942653580	RUYIZWQURRWBIR-NFOMZHRRSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)C[C@@](F)(CNC)C(C)(C)C	1944394290	AFHDDEGCFQMZAN-DZGCQCFKSA-N	245.426	4.567	0	10	BJAE	
CCC[C@H](C)CNc1ccccc1C1(C)CC1	1944596611	PKEADVKAMGEXDA-ZDUSSCGKSA-N	231.383	4.586	0	10	BJAE	
CC1(NCC2CCCCCC2)CCCCCC1	1945605433	NHYNNHCOYAWSLA-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC(C)C)CC(C)(C)F	1947084480	QCDPVXWNDXMJBG-KGLIPLIRSA-N	245.426	4.565	0	10	BJAE	
Cc1cc(C)c([C@H](N)C2=CCCCCCC2)s1	1948953417	CLBVFRTVYOQEDO-CQSZACIVSA-N	249.423	4.645	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](N)(CC2(C)CCC2)C1	1948972037	BXYRYOHSRKFZFU-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)C[C@H](C)CCC1=C(C)C	1949001313	JBCKBDGKIVOLJI-HOSILWTGSA-N	237.431	4.523	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H](C)CC(C)(C)C)CCC1	1949017356	BIRWPIFWMCVVEG-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCCC(N)(CCC)CC(C)(C)C(F)(F)CC	1949027297	YFPZQLIECJUJPF-UHFFFAOYSA-N	249.389	4.746	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CCC[C@@H]1CC1(C)C	1949055597	SFHXKEKVAHKVMU-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC1(C)CCCCC1	1949071501	KNIHFTWOSDJPKF-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CC[C@@H](C2(N)CCCCCCCCC2)C1	1949450201	CTZUFUCJMLBWRQ-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)C[C@@H](N)[C@@H]1CCC2(CCCC2)C1	1949551605	LJJAFTZLJMAMIZ-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC=C[C@@H](C)Cc1ccc(OCC)cc1C	1951309059	UBQCGIBZESCFQR-CYBMUJFWSA-N	232.367	4.539	0	10	BJAE	
CC(C)N(Cc1ccccc1)C1CCCCCC1	1953232066	XYTQNBULQPIXKQ-UHFFFAOYSA-N	245.410	4.620	0	10	BJAE	
CCC(C)(CC)NCc1cc2ccccc2s1	1963159947	QSFRYMOPLUJJBA-UHFFFAOYSA-N	247.407	4.570	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CC(C3CCC3)C2)CC1	1966048683	OFQSMDVGJJUBAX-CRYBEJKASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC[C@H]1CC12CCC2	1967757737	ZDELTXDRBBPCIZ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CC[C@@H]2CCC[C@H]2C1	1970664646	LASRDKPMVPYBQG-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NCC(C)(C)C1CCCC1)c1ccccc1	1971681432	LDXBMZWBVHOYEC-AWEZNQCLSA-N	245.410	4.554	0	10	BJAE	
CCc1cc(N[C@@H](C)C(C)(C)CC)ccc1F	1971992734	TZSFNUDGNMVOQX-NSHDSACASA-N	237.362	4.625	0	10	BJAE	
CC1(C)CC(N[C@H]2CCCCC23CC3)CC1(C)C	1972741383	CWJMGEXWSFXYFG-AWEZNQCLSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)C(C(C)C)C(C)C	1973164152	OSSSPCCYBYFEKQ-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CC(=O)[C@H](C)CC(C)C)CCC1	1988425125	FEDOFGCLMFQWNH-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC[C@H](C)CC	1990765970	ZKNHYIRTLAFION-HUUCEWRRSA-N	227.436	4.571	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@@H](C)[C@H](C)CC	1995260811	YVOLCLNIMNWOKV-XGUBFFRZSA-N	228.420	4.636	0	10	BJAE	
CCc1cccc(CC)c1N[C@@H](C)[C@@H](C)CC	1995659684	YLHYZDXJUJJJRR-STQMWFEESA-N	233.399	4.658	0	10	BJAE	
CC[C@](O)(CCC(C)C)C1CCC(C)(C)CC1	1996548963	TUXJCQAYRBDRJG-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)N(CC)C[C@@H]1CCC=CCCC1	1999980798	GWVDHWJHOQCNSU-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
Cc1cn(C[C@@H]2CCC=CCCC2)c(C)c1C	1999985623	LEVOIFOEXAVURT-MRXNPFEDSA-N	231.383	4.550	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)C1(C)CCCCCC1	2000373159	PRFKEIWGTLSJER-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](CC)(CN)CCC(C)(C)C1CC1	2000499037	GPOHXCFYCKPQEN-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@](C)(CNCCC)C1CC(C)(C)C1	2000523101	LXAKXZCHEJQPSN-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)CC1(CO)CCCCCC1	2000655562	PLWFJAGJZAEEMX-HNNXBMFYSA-N	240.431	4.926	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CC2(C)CCC2)CC1	2001136084	CCIROYARZMEQAI-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](CC(=O)CC1(CF)CCC1)CC(C)(C)C	2001149073	ZLIWPJXPIQQAMS-LBPRGKRZSA-N	242.378	4.548	0	10	BJAE	
CCCCCCC(=O)[C@@]1(C)CCCCC1(F)F	2002582379	KOYRLFLPEOTEBA-CYBMUJFWSA-N	246.341	4.742	0	10	BJAE	
CCC1CCC([C@](C)(O)CCCC(C)C)CC1	2002926897	RLYCWJZXVHDTDL-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CC=CC[C@]1(CNC(C)C)CCCC(C)(C)C1	2002980337	CFNJAFOXPALDMG-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCCC(C)(C)C1)C1CCC1	2002991757	VTRZWWGVCISDRV-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2003020819	PBRXIVYSKNZGHW-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)CCC2CCC2)C1	2003022606	URAUCXOLMGMTKD-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]1CCCCCC[C@H]1CCC(C)(C)C	2003101611	UZBOZPBSPGWCMF-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)(C)C)C(C)(C)F	2003238553	WYQXKXPUJIPSJS-QWHCGFSZSA-N	245.426	4.565	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@]1(C)C=CCCC1	2003326053	ZJUHUICXDQVJPL-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(N)([C@H](C)CCC(C)C)CC1	2004342390	RVQDHKZOLSFWIX-QQFBHYJXSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CCC1(O)CCC(C)(CC)CC1	2004353468	PYHCKAAJLDQQLR-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)C1(C)CCC(C)(C)CC1	2007697316	OWQJHCOXUSYZHI-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CCC2(C)CC2)CC1	2009553180	XNOATNZWPUKONS-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C(=O)CCC[C@H]2C[C@H]2C)CC1	2011569403	FOFGHERJOQWZLC-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CCCCCCC(=O)C(F)(F)C1CCCCC1	2012956492	FLITUQZRXFUCAQ-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](CC)CCC(C)C	2013262925	DUIVOCIPNBDTHS-PMPSAXMXSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](O)(CC)CCC(C)C	2013271056	ODUZQXVHERHXSB-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@@H]2CCC(C)(C)CC2=O)CCC1	2015594676	IURDWMVNYJCYIT-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CCC[C@@H](C)C2)CCC1	2015638943	AQSFCTBVFWAPGN-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@H](C)[C@H](C)C2)CCC1	2015641986	LBQFHLCTYTZMJX-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C[C@H]1C[C@H]1C	2016852409	QDFWFFAZJNJEAO-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CC[C@@H]1C1CCC1	2017043458	PPPJHSSPLAVJJC-OCCSQVGLSA-N	249.785	4.639	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)CC1(C(C)(C)C)CCC1	2017127700	RHBQEYIZFSAJPJ-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)C[C@H](C)CC)CC1	2017774941	VMMQJEPONPAZMC-KLHDSHLOSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@]1(CC)[C@@H](CNCCC)C1(C)C	2018133658	GYXBVIVFRPEQEP-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC1(C)CCCC1	2018184283	GKYFYTWYBCXRLK-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H](CC)CC(C)C)CC1	2018997169	XOOOMFWXHFDYTP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC1CC1)CC1(CC)CC1	2019003580	NCRARNOGHKYNSM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@H]1CCC[C@@H](C)C1	2019174353	MNRSMKQMIMQSNJ-PMPSAXMXSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@H](C)C1CCC1	2019190439	XDCNKYQMUITSLN-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](C)N(C)C[C@H]1CC[C@H](CCC)CC1	2019305888	OYECRLCORQOXNV-BZUAXINKSA-N	239.447	4.713	0	10	BJAE	
CCN[C@H]1[C@H](CC(C)(C)CC)CCCC1(C)C	2020349004	QOQAZTQGBFIXDH-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(=C[C@H](C)CC(C)(C)C)[C@H]1CC[C@H](N)CC1	2023545154	BURHMPVVTIQSLX-QEJZJMRPSA-N	237.431	4.523	0	10	BJAE	
CN[C@@H](C[C@H]1CCCC(C)(C)C1)CC(C)(C)C	2024094100	HOPDQKRFKNKXCW-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
c1sc(C2CCCCCCC2)nc1CC1CC1	2026541693	HLOTWNNOAMEMOA-UHFFFAOYSA-N	249.423	4.924	0	10	BJAE	
CC[C@@H]1C[C@@H]1Cc1nc(C2CCCCC2)cs1	2026597097	JUZMCVGGUYPICZ-DGCLKSJQSA-N	249.423	4.779	0	10	BJAE	
CC(C)c1ccccc1C[C@@H](N)CCC(C)(C)C	2027467143	TYUBRCBKWMRNBQ-HNNXBMFYSA-N	247.426	4.506	0	10	BJAE	
C[C@H](c1ccccc1)N(C)CCC[C@@H]1CC1(C)C	2027836859	MSUAUCUAUALYPO-GDBMZVCRSA-N	245.410	4.506	0	10	BJAE	
CCCc1ccccc1CNCCCCC(C)C	2027901834	QOWLALNXJCYTHF-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1CC[C@H]2CC[C@H]21	2027997290	ZUTWNUADLBWZSB-DJIMGWMZSA-N	241.378	4.555	0	10	BJAE	
CN[C@H](c1cccc(C2CC2)c1)[C@@H](C)CC(C)C	2028558587	YBLRVXNGNSNSDA-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CC(C)CC[C@H](C)Cc1ccc2c(c1)CCCN2	2029820422	JKHMEYDWXXFJHE-AWEZNQCLSA-N	245.410	4.660	0	10	BJAE	
CN[C@H](c1cc(C)cc(C)c1)[C@H](C)CCC(C)C	2029827369	XENJQUHSTZOQID-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CC[C@H](C)[C@@](C)(N)c1ccc(C2CCCC2)cc1	2031749275	GYQUKYQXROTNJN-SUMWQHHRSA-N	245.410	4.564	0	10	BJAE	
CCc1cccc2c3c([nH]c12)C[C@H]1CCCC[C@@H]31	2034151179	XIDRCRAPHAFLOJ-CHWSQXEVSA-N	239.362	4.560	0	10	BJAE	
CC(C)(C)c1ccc(OC[C@H]2C=CCCC2)cc1	2035556965	SMEPAZKINRJLDP-AWEZNQCLSA-N	244.378	4.719	0	10	BJAE	
CCCNCC1(C[C@H]2C=CCCC2)CCCCC1	2035598756	GMOPDJHGONALHV-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@H]1CC[C@@H]2C[C@H]2C1	2037132109	YBCDFGILHMRCCG-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](NC)[C@@H]2CCC3(CCCC3)C2)CC1	2037689803	IAQHGEBAYGXKMY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@H]2CCC3(CC3)C2)CC1	2038581334	ZSVXITWWJWGPFC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CC23CCCCC3)C1	2039011249	GDFMBXVEROAGEB-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](c1cc(C)c(C)o1)C1(CC)CCC1	2039719273	FRHGKDWPEFJXFB-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
C[C@H](CCC1CC1)NCC1(C2CCCCC2)CC1	2040318560	GJWSEXBMPMTAGF-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC=CCN[C@@H]1CCCC2(CCCCC2)C1	2040765098	LZSDCDXYNSHLEK-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@]1(C)CC=CCC1	2042022035	NOEOJXCVZOFJED-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC1(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)CC=CC1	2042076337	NCOFOGBYRPJEIF-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](c1cocc1C)C1(CCC)CCC1	2045813123	NEGQZAJOKXFYIR-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC1(C)CC[C@H](N2CCCC23CCCCCC3)C1	2046563579	ILFBRGBMJXZQFH-HNNXBMFYSA-N	249.442	4.754	0	10	BJAE	
O=C(CC1CCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047425036	QSAMSUAECOJTQO-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)C1CC2(CCCCC2)C1	2048883354	SUSUOEQXMNLQJX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1([C@](C)(N)[C@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2049224167	BQVOMXCCMWJDBW-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@@H]1CCC2(CC2)C1	2049848713	LDQLRCGWXLKHQD-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC=C(C)C)c1ccc(C(C)(C)C)cc1	2051409403	QPUDGQYTMXBCQK-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@@H](C)C2CCCCC2)C1	2054987065	JLJOTDGPOBVMLB-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1CC(C2CCC2)C1	2056688445	AOLNEIGARYANFM-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCc1c(C(F)F)ccc(C)c1C(F)(F)F	2060347592	IAWNRVHDAVKJQN-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C1CC(=C2CC2)C1	2061651418	XNXYDDYVNLNUSP-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1CC(=C2CCC2)C1)[C@@H](C)C(C)(C)C	2061737782	VDGGAHXKFWIWDU-WBMJQRKESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC23CCCC2CCC3)C1	2063902774	JLFFWDAEWUEGEG-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1OCC12CCC(CC1)CC2	2065285393	FFGULPYPAHFVSY-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CC(C)c1ccc([C@H]2CCC[C@H](C(C)C)N2)cc1	2066379537	YYKZVEXZZSKEDX-IAGOWNOFSA-N	245.410	4.649	0	10	BJAE	
CCCC1(C[C@](C)(N)c2ccccc2C)CCC1	2069341924	JXNUVCGFUVPFFK-INIZCTEOSA-N	245.410	4.529	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@H](C3CC3)C2)CCC1	2069343363	YXXIWOFJNQFGPF-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C[C@@]1(C)C[C@@H]1C)c1ccccc1C(C)C	2070866800	WIUCRJYMBKMUJN-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@]23CCC[C@H]2C3)CC1	2070928379	ZEDRZLHFIVMTFJ-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CC2(C(C)(C)C)CCC2)C1	2071926304	NULUXVSMBYEJBP-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC(C)C1(CC(=O)CC(C2CC2)C2CC2)CCC1	2071927400	ZWQSJAQENYDFKY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(CC2(N)CC3(C2)CC3(C)C)CCC1	2071940011	GLFABNNOKLYLAE-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@](C)(O)Cc1ccccc1C(C)C	2072760572	PMDNOWNLMVUQTG-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
CCCC1CCC(C[C@H](N)c2ccc(C)o2)CC1	2072795073	AEHHCBJAOVOOCM-NRXISQOPSA-N	249.398	4.584	0	10	BJAE	
CCC1CCC(C[C@]2(N)CC[C@@H]3CCC[C@H]32)CC1	2072805992	HTYNFWIXMUSOCK-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2CCCC3(CC3)C2)CC1	2072871417	ONTQQBOHFSUCNN-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@]12CCCC[C@H]1C2	2074031339	YHHMZSLLLKBNKE-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H](C[C@H]2C[C@](C)(F)C2)Nc2ccccc21	2077716485	IWRPFJOKOGCUTF-BRXULGCHSA-N	247.357	4.503	0	10	BJAE	
CCCCCc1ccc(C(=O)CC[C@H]2C[C@H]2C)o1	2077981184	KTZZREOYKJCPSO-OLZOCXBDSA-N	248.366	4.631	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C[C@H]1C1CCCCCC1)C1CC1	2079487973	SVGGRZYJLMSGHG-KCXAZCMYSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C=C1CCC1)C1CCC(C(C)(C)C)CC1	2080257341	RJXMVPZGDFTCTB-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H]1CCCC(C)(C)C1)[C@@]1(C)C=CCC1	2082989160	YXEFPCNAKCXOKN-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1CC1CC2(C1)CC(C)(C)C2	2083794146	AODVWMVDBPXBRE-TZMCWYRMSA-N	248.410	4.598	0	10	BJAE	
c1ccc(-c2ccccc2NC2C[C@H]3C[C@@H]3C2)cc1	2097009660	HJDLBZALVMCGBU-HUUCEWRRSA-N	249.357	4.564	0	10	BJAE	
C[C@](N)(CCCCCCC1CC1)C1CCCC1	2213575468	GEJAQQHDZRJKSL-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCCCCC(=O)CC=Cc1ccccc1	2213836351	VSGDSFCOFGCTNL-UHFFFAOYSA-N	230.351	4.629	0	10	BJAE	
CCCC=CCN[C@H]1CCC[C@@H](C(C)(C)C)C1	2216252210	ISIJLSKCEKHAMU-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCN(CCCCCCCC1CC1)C1CC1	2216858581	DHGBHMGPECHOFQ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC[C@@H](CN[C@H](C)CC)C1CCCCCC1	2217151097	RPYYSEUVWWXHDY-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CCC[C@H]2C[C@H]21	2217277474	PPWVNEWNVCORDV-NJZAAPMLSA-N	249.785	4.503	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)c1ccoc1	2218718751	QVCBDAWJSHWCHU-MRXNPFEDSA-N	249.398	4.681	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)[C@]1(C)C=CCC1	2218721895	WLUDYBKVZQBQBK-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC1CCC(C2CC2)CC1	2218891376	DAIZEDMWYHVZJL-MYBQVCMBSA-N	249.442	4.514	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CCC[C@H](C)CC2)CC1	2221642760	IXRSVDLMGSRTKQ-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](CNCCC2CCCCCC2)CC1	2221665439	FUKBPIZEOKFTBF-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@](N)(C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCC1	2222935819	ZLWVMNSNXNIXLZ-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@](N)(CC)CCCC[C@@H]1C[C@H]1C	2243044410	AAYRYTXWSKTYAS-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCCCCC(=O)CCCCC[C@H]1C[C@H]1C	2243885837	PMMFQKHKFIDJHC-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
CC(C)(C)C[C@@H](O)CC[C@@H]1CCCCC12CC2	2246608483	ZOFGDABDYUNOEK-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)[C@H](O)CC[C@@H]1CCCCC12CC2	2246626847	MTXMCDLXXYKHEL-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](N)CC[C@H]1CCCCC12CC2	2246631687	UTQCLKAFJVLCBD-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C(=O)CC[C@H]1CCC[C@H](C)C1)C(C)C	2246681917	WYRWEEXPHVAKLC-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC1CC2(CCCC2)C1	2246769125	ILJKROYZSMABAQ-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CC1=CCCCC1)C1CCCCCCC1	2247456164	NKUWXQXRKRQKPM-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CC[C@@H]1CCCC12CC2	2247608105	HAYZQLBSNRLALF-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC[C@@H]1CCCC12CC2	2247618488	FOOVDMBATZVYCA-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
Fc1cc(C[C@@H]2C=CCCC2)cc(C(F)F)c1	2250127145	RVHPAYKWDVPRFC-SNVBAGLBSA-N	240.268	4.662	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1(CCC)CC1)NCC	2250372517	PTCXZFRLJZOGKT-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CNCCCCCCC1CC1	2250386672	WSCXYFXAJAINPR-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CC(C)CCC[C@H](C)CCNC(C)(C)C1CC1	2250487737	FBSCBMTZYNANLU-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)[C@]1(C)C[C@@H]1C	2250488673	PLYGPTFAXYIWTK-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@]12CCC[C@H]1CC2	2251225723	XFASEXQMMYZDMD-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCCN1CC[C@@H]1CCCCC12CC2	2253869175	VMYDZYSWMYXRRB-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
C1CCCCN(C[C@H]2CCC23CCC3)CCCC1	2254931195	HUGGVFVQQPXJFA-MRXNPFEDSA-N	249.442	4.613	0	10	BJAE	
O=C(CC[C@@H]1CCC12CCC2)CC1CCCCC1	2255024014	LJXIJAXAMPXEJG-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)C=CCCC1(C)C	2257302930	KTQVVSPOEJHFKV-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN[C@@H]1CCCC2(CC2)C1	2257314577	GVJGLOICBARNSF-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C1CC[C@@H](CC[C@@H]2CCCCC23CC3)CCNC1	2259672883	MJNANSNMQLHLEU-HOTGVXAUSA-N	249.442	4.517	0	10	BJAE	
N[C@H](CC[C@]12CCCC[C@@H]1CC2)CC1CCCC1	2260624519	URRYKGOMKYENCS-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
c1cc(NCC2CCCC2)cc(C2CCCC2)c1	2260725882	UCIHQKFJDVFMCC-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](N)CCC1CCCCC1	2298920954	QMYUSSBKDRAVDU-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H](C)CC1CCC1	2298930258	JRUDNGYNWMTNKY-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CCCC[C@H]1CC	2300678469	KQQPZVGTZNJZIQ-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@H](NC)C1CCCCCC1	2300682885	DFEDFLRMBXLYIB-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C1(CCC)CC1	2300873242	XUNZGQUNVZOJID-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC1CCCCCC1	2301241857	MSZMDTVSMZLROU-OAHLLOKOSA-N	236.399	4.886	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CC1CCCCCC1	2301243008	YAODRKZWWPRIIZ-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCC1CCCCCC1)CC(C)C	2301245580	XZMSHKVACCWNMB-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H](C)[C@@H](C)C(C)C	2301827309	AIJWGWVVPPBXEC-DZKIICNBSA-N	241.463	4.719	0	10	BJAE	
CC1(C)CC(=O)[C@@H](CCCC2=CCCCC2)C1	2302330567	CUNBNHTWEODPNT-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC1=C(C)C[C@@H](NC[C@@H](C)CC(C)(C)C)CC1	2303458974	MNDYJJGKFDICKX-WFASDCNBSA-N	237.431	4.537	0	10	BJAE	
CCCC1(C(=O)CC[C@H]2CCC(C)(C)C2)CC1	2304437709	SFWKPHUJGOYNAO-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)CN(CC)CC[C@@H]1CCC(C)(C)C1	2304439114	GVRGTPJBQLBVON-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CC(C)C(C)(C)c1nc([C@@H]2CC23CCC3)cs1	2304507656	FCXOYOKBNTXDCU-NSHDSACASA-N	249.423	4.734	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC[C@@H](CC)CC1	2307841266	GCBOYAQOOKIXEG-OWCLPIDISA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@@H](C)[C@H](NCC)C1	2307908857	RPNHLHWNCHBBJX-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)C(F)(F)C1CCCC1	2307911600	WRIMAEUQMPDSNB-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)C[C@@]23CCC[C@@H]2C3)C1	2311892801	OLUDVUHSUTYEMU-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C[C@H]2CC[C@@H]3C[C@H]23)C1	2312669749	GUYGNOCMALUFKP-JRBZFYFNSA-N	248.410	4.598	0	10	BJAE	
CCc1cc([C@@](O)(CC)C[C@@H](C)CC)ccc1C	2314640973	BWDOXNIEZFEZKR-SUMWQHHRSA-N	248.410	4.591	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H](CC)c1ccccc1	2316239197	PWPTYQVLJBXEGT-IAGOWNOFSA-N	247.426	4.724	0	10	BJAE	
CC(=CCN[C@@H]1CCC2CC1C2)CCCC(C)C	2316491469	OBKTZLVRFYDNCB-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)C1(C2CCC2)CC1	2318592934	OAIAAMWREYEZGZ-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@H]1CCCC12CC2	2318595165	NBMWYOQIKKDSOH-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N[C@H]2CCCC[C@@H]3C[C@H]23)cc(C)c1C	2319446967	UMNBPWMTRZTFFN-PVAVHDDUSA-N	243.394	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCC[C@@H]3C[C@H]23)CC1	2319447802	BXMLPQREKVPYNU-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@H]1CCC(C)=C(C)C1	2320238066	QNWCHUAJNSCSMA-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)[C@@]23CCCC[C@@H]2C3)C1	2321600987	VFTUJTPXLYKIMB-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CC(=CCCNC1CC1)CC[C@@H]1CCC(C)(C)C1	2321650178	JFHARXYTLDMIID-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1cc(C)ccc1C(C)C	2327672781	IXAFBDDZLQTVBG-KGLIPLIRSA-N	244.378	4.737	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](N)c1cc(C)ccc1C(C)C	2327706650	BVFNPLLYNPTTEC-FRFSOERESA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H](CC)CN(CC)Cc1ccccc1C	2328087715	ZUDBFUVXPSIFOT-MRXNPFEDSA-N	247.426	4.643	0	10	BJAE	
CCC[C@H](C)N[C@H](CC(C)C)c1ccccc1	19232817	GRGMIPGNHFEOCR-GOEBONIOSA-N	233.399	4.552	0	10	BJAE	
Cc1cc(C)c(CNc2ccccc2C)c(C)c1	20006293	YNTWGMNMNUYBIY-UHFFFAOYSA-N	239.362	4.532	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)c1cccs1	20520341	URVMHODLZDVZBY-CHWSQXEVSA-N	239.428	4.758	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)c1ccsc1	53823091	IIGCHMUCTDXOKB-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1ccccc1F	62773961	FDAFSPLJBDBHRV-GFCCVEGCSA-N	236.330	4.615	0	10	BJAE	
Cc1ccsc1[C@@H](C)NCCC1=CCCCC1	70089808	QIFJMQSTZJOLJD-CYBMUJFWSA-N	249.423	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1cc(F)ccc1C	70977634	JKDYPCPBKCSMGH-OCCSQVGLSA-N	235.346	4.515	0	10	BJAE	
CCCCC[C@](C)(CCC)CNCC(C)C	71127849	MMPPMKRAVKUREU-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
COc1c(C(C)C)ccc(C)c1C1CCCC1	75841070	UDIYKPGBZDFPHY-UHFFFAOYSA-N	232.367	4.785	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cccc3ccccc23)C1	80425600	RZAMZQUMZHYPHT-UKRRQHHQSA-N	239.362	4.830	0	10	BJAE	
CCCCC[C@]1(O)CCCC[C@@H]1C(C)(C)C	83502751	SRWBLIFYQSNJIP-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)C(C)(C)C	87174810	RMZOTTLWNHTVCJ-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC1CCC1)C1CCCCCC1	88134909	XIIRQTBFQHRVDQ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2CCC[C@@H](C)C2)c1	89604467	TZSQRBDDJRBLQI-IUODEOHRSA-N	231.383	4.542	0	10	BJAE	
Clc1ccc2c(ccn2C2CCCCC2)c1	96775712	VYXCKNVZCUVIGP-UHFFFAOYSA-N	233.742	4.800	0	10	BJAE	
CC/C=C\C[C@@H](CCC)c1ccc(O)cc1	107553585	XTERWBPNTCMQDG-CFHLNLSMSA-N	218.340	4.632	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)c1ccco1	109742707	RBXFLJUFRKLBNI-UONOGXRCSA-N	237.387	4.537	0	10	BJAE	
CCCN[C@@H]([C@H](CC)c1ccccc1)C(C)(C)C	164676547	OYJNHUNSUIUZFQ-CVEARBPZSA-N	247.426	4.595	0	10	BJAE	
CC(C)CCC[C@@H](CNCC(C)C)CC(C)C	166061471	SURRDLVXTHKVJX-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CCN[C@H](c1cc(C)c(C)cc1C)[C@@H](C)C(C)C	168720176	GKWFIXHDRFDGOI-RDJZCZTQSA-N	247.426	4.555	0	10	BJAE	
C[C@H]1CCC[C@H]([C@H](N)CCC2CCCCC2)C1	168977634	TXTIYAJGLQRAJE-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](CC(CC)CC)C1	227563520	RAUYEWNWBOHODL-PMPSAXMXSA-N	239.447	4.604	0	10	BJAE	
Cc1ccc([C@@H](C)NCC(C(C)C)C(C)C)cc1	229537034	GRVWAZJKMOXFMW-OAHLLOKOSA-N	247.426	4.574	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](O)(CCC2CC2)CC1	232510230	FHDLQCYXOBVQII-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC(=C[C@H](CC)c1ccccc1O)CC	238799386	CJZOLCQXKNTVOZ-ZDUSSCGKSA-N	218.340	4.632	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1n1ccc2ccc(F)cc21	301865288	QXHOOAYCGCFTRW-WFASDCNBSA-N	245.341	4.922	0	10	BJAE	
CC(C)C[C@H](C)C1(O)CCC2(CCCC2)CC1	302530572	GLWVNNQZFOHACH-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@@H](C)CC(C)C	305928392	JELLFTNHXQGXEW-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](N)CCC1CCCC1	305940891	LJWVBVCNYVBHJM-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@@H](C)CC2)c1F	305942088	FMBHEWGZQSIPQS-YPMHNXCESA-N	235.346	4.515	0	10	BJAE	
Cc1sc2cccc(C(F)F)c2c1Cl	306946096	KXTRNKSBWMSEFV-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@H](CC)CC(C)C)cc1	308085257	VJRFOWFNHTVBOU-WBVHZDCISA-N	247.426	4.711	0	10	BJAE	
CCc1ccc(-c2csc(C(C)C)n2)s1	308822496	ZBHDIFKWWKNTME-UHFFFAOYSA-N	237.393	4.557	0	10	BJAE	
Cc1ccc(Cl)c(O[C@@H]2CCC[C@H](C)C2)c1	309172877	AYTYAMFAPYGTGR-CMPLNLGQSA-N	238.758	4.606	0	10	BJAE	
CCCC(=O)CC/C=C(/C)CCC=C(C)C	309342900	HGIMBDDKXGLOAP-KAMYIIQDSA-N	222.372	4.829	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](O)CCC1CCCC1	310184299	UYUSDLQCOXVYCE-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
Cc1cc2ccccc2n1CCC1CCCCC1	310666678	DKDZEUQCFUAVLZ-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CCC[C@@H](N[C@H]1CC12CCCCC2)C1CCCC1	313391667	CHJOEBVPXVHNHB-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](CNC(C)(C)C)C(C)(C)C	319446732	SALUXJRFKLMRFE-MJBXVCDLSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCCC)C(C)(F)F	328307087	ZBXTZOYRZMNITQ-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCC1(C[C@H](O)[C@H]2CC[C@H](CC)CC2)CCC1	328492441	YGOMNGDOORWJAW-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCC[C@@H](C)C1)C1CCCCC1	379862134	PPEFPSHMJCJTOA-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(NC2C[C@@H](C)C[C@H](C)C2)cc1C	380654094	DYZDVUQLKREKGJ-STQMWFEESA-N	245.410	4.794	0	10	BJAE	
CCCC1CCC([C@H](O)[C@H](C)CC(C)C)CC1	383841601	VIBXODDXSAUSHD-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccsc2Cl)C1	387210262	JLCRZBOJFQPUCC-ZJUUUORDSA-N	243.803	4.782	0	10	BJAE	
Cc1cscc1N[C@H](c1ccccc1)C1CC1	387379399	YDNJEJNYDOBYAZ-OAHLLOKOSA-N	243.375	4.620	0	10	BJAE	
CCCN[C@H](CCC)c1ccccc1C(C)C	393864760	SAGYGBHNGBTUJT-MRXNPFEDSA-N	233.399	4.651	0	10	BJAE	
CC[C@H](C)CCN[C@@H](C)c1cc2ccccc2o1	394425832	QZHFTWDZYDFDNS-STQMWFEESA-N	245.366	4.520	0	10	BJAE	
C1CCCC(C[C@H]2NC[C@H]2C2CCCCC2)CC1	394567630	JTCNBFDGSLFGNV-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](O)CCC2CCCC2)CCCCCC1	394602366	NQFCZHHMUVORIY-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
Cc1cc(C(=O)C2(C)CCCCC2)c(C)cc1F	395322938	NJDIQMVFPWWCIT-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CSc1cc(C)cc2c(C(F)F)csc12	396411666	UAYWGTJEGQFMCZ-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
N[C@H](CCC1CCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	398857691	QJYFUNMGQAKICY-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)C[C@H](C)C1CCC1)CC(C)(C)C	398865071	XHORFHMLNQZGBQ-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
NCC1(C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCCCC1	403574471	YKFOOLUEEMXWJO-OWCLPIDISA-N	249.442	4.502	0	10	BJAE	
O=C(CCCC1CC1)c1ccc2sccc2c1	405811696	HMODJZDAEWIASC-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CC[C@H]1CC[C@H](c2ccc(C)cc2)CC1	605700423	YQYBBVPUXRZFNE-CTYIDZIISA-N	202.341	4.679	0	10	BJAE	
C[C@@H](CC1CCCC1)Nc1ccc2c(c1)CCC2	689719567	QMDUCXORRXJSRG-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H](C)c1ccccc1	689870424	RICGYJNNRWSQSU-GJZGRUSLSA-N	245.410	4.696	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@@H](C)C1CCC1	692773299	FZGSGXUAZGKFTI-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC12CCCC2)[C@H]1CC1(C)C	693788466	QCPNVAORBLLXRH-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)c1cc(C)ccc1C	695096852	DGZPXWSDWMZQRV-HUUCEWRRSA-N	247.426	4.779	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1(C)CCCCC1	696568225	QKIPZGQFBKPOBC-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1O	697629763	LQPWKIARUQMQFF-ZNMIVQPWSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C2(C(C)C)CC2)cc1	697655896	PFMDUIBGCXAWRR-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CC(CN[C@@H]2C=CCCC2)CC(C)(C)C1	699549242	SEMODYGOCIPYIY-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H]2CCC23CCCC3)C1	703213688	GCPYHPPGLZZVJT-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CC[C@H](NCC[C@H]1CC=CCC1)c1ccsc1	706864577	YFQMMWACPAIJNB-ZFWWWQNUSA-N	249.423	4.535	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CC[C@H]2CCC[C@@H]21	707855603	DFMUFNXDXXOPKJ-TYNCELHUSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc([C@@H](CO)C[C@@H](C)CC(C)(C)C)cc1	709102007	LJUMWBOLJCYVNU-GDBMZVCRSA-N	248.410	4.533	0	10	BJAE	
C[C@@H](CC(=O)[C@H](C)CC(C)(C)C)C(C)(C)C	709117314	INZOOTFMJJVCMN-NEPJUHHUSA-N	226.404	4.700	0	10	BJAE	
CC[C@@H](NC[C@H](C)CC(C)(C)C)c1ccccc1	709121812	GGZHQTPPEOQURC-GDBMZVCRSA-N	247.426	4.800	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCC2(CC2)C1)C(C)(C)C	711149054	SPYNNDZLDYLYJM-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H](C2CCCC2)C2CCC2)C1	711830304	CZCFEFFTUAWATP-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@@](CNC(C)C)(CC(C)(C)C)C1	713306676	KLGAVDOXRAPDGX-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)c1cc(C)cs1	713659662	ADMWFONZGKUCKO-PSKZRQQASA-N	249.423	4.620	0	10	BJAE	
C=C/C=C\CCc1ccc(C)c2ccccc12	713673452	MHVPFAPEAZRVFE-PLNGDYQASA-N	222.331	4.823	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@H]1CCCC1(C)C	713764099	QAVVKXFDALAZAI-KJMJWJSPSA-N	249.442	4.703	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC[C@@H]1C[C@H]1C1CC1	714770809	LRYJHKABJUIFHD-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@H](C)CC(C)(C)C	718498366	WWBWTIRFCIFGGF-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
Cc1cc(C)c(CNc2ccc(C)c(C)c2)s1	719421609	RRKIJGDTTYWDAR-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCCCC1CCC(C(=O)C[C@@H]2C[C@@H]2C)CC1	722889876	IQIDLOZQYPPSSX-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC1CC(C)(C)C1	723579030	OKZHSSOLNFCCGK-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)C1CCC2(CC1)CC2	829156288	PIMJRQZKFYJONW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C/C(=C\Cl)CSC1C[C@@H](C)C[C@@H](C)C1	1473021821	PXMOLAMYBXOIHS-JNKFAKFKSA-N	232.820	4.687	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNCCC1CCCCC1	1648781774	BHASLZALMAAGFL-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)C1CCN(CCC2=CCCCC2)CC1	1658268835	ZKRSTRVTXSBYBE-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
FC(F)c1ccc2cc(C(F)(F)F)ccc2c1	1848365846	ATHWLXVWVYFGLO-UHFFFAOYSA-N	246.178	4.796	0	10	BJAE	
CC[C@@H](C)[C@H](C)N(Cc1ccccc1)CC(C)C	1880413424	MYFYTZNBVRLVJD-CVEARBPZSA-N	247.426	4.579	0	10	BJAE	
Cc1cc(-c2cc3cccc(C)c3o2)cs1	1901898861	SUUMOGQBBQMYRX-UHFFFAOYSA-N	228.316	4.778	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C[C@H](C)C(C)(C)C	1905446130	SYIZWOKPSVFFRC-MELADBBJSA-N	228.420	4.636	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]2CCC)C1	1910808838	BYRKEVMZZJIEAK-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@H]1CCCCC[C@@H]1CNC(C)C	1911939700	XSOHWTMRBCDNIS-DLBZAZTESA-N	249.442	4.703	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CN	1912105248	MTNDHQLTIIYXTD-PMPSAXMXSA-N	249.442	4.546	0	10	BJAE	
CCC(C)(CC)CNC1CC2(CCCCC2)C1	1912696080	IVCGYSURESZXJL-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@@H]1CCCCCCCC[C@H]1O	1913593536	LVXPAYYSNNIIMH-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC[C@H]1CN[C@H]1CCC2(CCCC2)C1	1916400112	MWJODHGZOXDMFQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	1917416592	RTNAXGXXYJGYBQ-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)CCC1CCCCC1	1924114526	ZZBUSNOKWFVQSN-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)[C@@H](C)C1CCCC1	1925773193	WSFLHZMSDZHQEY-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
FC1(F)CC[C@@H](CC[C@@H]2C=CCCCC2)C1	1925817779	UIJSGQCNLWXHBH-CHWSQXEVSA-N	228.326	4.948	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@H]2C=CCCCC2)CC1	1925903580	UMYFVDKQQQIAKF-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC([C@H](N)C[C@H]2C=CCCCC2)CC1	1925946533	UMYFVDKQQQIAKF-ODZFXCKXSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)c1cscc1C	1938844430	YYTIXNKADGFVKR-GXTWGEPZSA-N	239.428	4.533	0	10	BJAE	
CCN[C@@H](CCCC1(C)CCCCC1)C1CC1	1940411006	UVWRPCREOSCEFB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](CCC[C@@H]1CC1(C)C)NC	1940879255	CAGSTZGTOSMBNE-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CC(CC)CC)NCC	1941262541	GJLLVRWXYBWFAN-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC1([C@@H](N)CCCCCC2CC2)CCCCC1	1941585230	SGHZAECKHUXMIG-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CCCC1C[C@@H](C)C[C@H](C)C1)NC	1944203775	OPEAAPJURCMCQL-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@@H]1CCC[C@H]1C	1944842919	NVKJUWKIDZJIPP-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	1945311149	KNRHICHFWOYIKT-ZJIFWQFVSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C(F)(F)F)ccc1C[C@H]1C=CCC1	1947552381	OCDCTFHFZIPTMG-NSHDSACASA-N	240.268	4.523	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C[C@@H]1CCC[C@H](C)C1	1948333851	VKGKHEPLPKAYJX-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC(C)(C)CC(F)F	1949014450	DSACLJUGASPXTB-SMDDNHRTSA-N	249.389	4.602	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CCCCC12CCCC2	1949087616	CVEZWCNVWCHKRY-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@H]1CCC[C@@H](C)CC1	1950931484	XEVDDPAIGMGKLQ-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(-c2sc(C(C)C)nc2C)cc1	1962718911	HWZUDSZBOAKMOB-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
Cc1ccc(C)c(OCC2[C@H]3CCCCC[C@H]23)c1	1968306901	ABAVVRYYGWOCSE-GJZGRUSLSA-N	244.378	4.509	0	10	BJAE	
C[C@@H]1CC[C@@H](COc2ccccc2C(C)(C)C)C1	1968366977	QCUQPZQIZNQQBV-ZIAGYGMSSA-N	246.394	4.799	0	10	BJAE	
CCCc1ccccc1NCC1CC2(CCC2)C1	1968528178	NPBVRDFQYSYBBT-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NC[C@@H]1CCCC2(CC2)C1	1970249935	NASYPUJAVKHABK-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCC1(CN[C@@H]2CCCCC23CCC3)CCCC1	1971015959	ULHJAIPNDRKVCN-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C1=C[C@@H](CC2CC(C3CC3)C2)CCCC1	1974999438	ZQWPMUKJFJJGEQ-DNOWBOINSA-N	204.357	4.559	0	10	BJAE	
CCCCN(CCCC)CC(C)(C)C(C)C	1978898960	VJODTCGXJFZYKX-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CCC[C@H](C)[C@H](N)C1(C)CCCCCCC1	1981415766	INYSFBXZKSPBOW-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@@H]1CCCC(C)(C)C1	1994026225	ODBZEBSFPVRBLV-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1c(C)cccc1C	1995630202	DMHWOUDKNMRETB-HUUCEWRRSA-N	231.383	4.684	0	10	BJAE	
Clc1cccc2cc(C34CCC(CC3)C4)[nH]c12	1995982107	ZTCFVMPIJXZPMF-UHFFFAOYSA-N	245.753	4.653	0	10	BJAE	
CC(C)=C(C)CCN(C)CC1(C)CCCCC1	1995982551	FKOGBVQJNXHJLA-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
C[C@@H](CCC1CC1)NCCC1(C)CCCCC1	1996370847	AWKFHIXDBAMVIA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](CC1CCC=CCC1)NC	1996610926	NTAPQKOLIRIGNF-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@H]1CC=CCC1	1997549732	CGZZBRKVASZPGH-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2CCCCCC2)C1	2000101024	XTIIQWPESZDWCA-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@@H]1C=CCCC1	2000312062	GHNOMUUOPBPPGT-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CN)[C@H]1CCC[C@H](CC)C1	2000503227	VEOMUYBKFFXRAU-HRCADAONSA-N	239.447	4.748	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(O)CC2(CCCCCC2)C1	2000672458	JAJQGSUSXYWZGJ-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1CC12CCCCC2)NC	2001220187	SBEVHTDVOKOACC-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)CC(=O)C[C@@H](C(F)F)C(C)(C)C	2002435885	RREXTUSORTXKOG-PWSUYJOCSA-N	248.357	4.699	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(O)CC2(C)CCCC2)C1	2002998320	KHUYYPWZCNWNJP-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)[C@@H]1CCC[C@H](C)C1	2003012462	ADPLKRCRERMCEC-RFBLXINOSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@@H]1CCCCCCC[C@H]1NC	2003115553	BRJMXOQTHOWGKV-HZPDHXFCSA-N	239.447	4.905	0	10	BJAE	
CCCCCN(C)C1CCC(CC)(CC)CC1	2004363492	UILJDQZTZSVPGY-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC12CCCCC2	2004719364	QGSWUORDFGHAGO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@@]1(CO)CCCC1(C)C	2005578808	DFISGEVKBCMALL-INIZCTEOSA-N	240.431	4.782	0	10	BJAE	
CC[C@@H]1C[C@@H](CCC(C)=C(C)C)C[C@H](NC)C1	2006626207	CQKNXTSDQMGPNM-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1C[C@H](CC)C[C@H](CC(C)(C)CC)C1	2006631509	MBUWBOVXCSEECZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@H]1CCC[C@H]1C	2006758771	LYFKTURURVDKKS-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C(CC)CC)C1(C)CCC(C)CC1	2007694030	GPJHHOMSAIYZDD-OGVSOVDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNCC(C)C)C[C@@H](C)F	2007843009	LEHGNIQKAVYTPP-HUUCEWRRSA-N	245.426	4.567	0	10	BJAE	
Cc1cc(C)c(C(=O)CC[C@]23CCC[C@@H]2C3)s1	2011018106	YRUZFYKDDAOJPA-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
CC=CCCCN[C@@H]1CCCCC[C@@H]1C(C)C	2011444533	TUXLGOBOCMANRT-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011973662	ONDMORQMVMFJCY-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC=C=CCCNC1CCCCCCCCC1	2014185973	AJKFXTGVBFDHOQ-UHFFFAOYSA-N	235.415	4.590	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(O)C2(C)CCCC2)C1	2014329009	MQSRDZGWLMWASC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(CC[C@H]1CC[C@H](C)C(=O)C1)C(C)C	2015390364	KSSJCYCAXKTZHU-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@](CC)(CN)CC(C(C)C)C(C)C	2015410902	DXHDXQFKLVQUFL-MRXNPFEDSA-N	241.463	4.850	0	10	BJAE	
CCCC1(C[C@](C)(O)[C@@H](C)CC(C)C)CCC1	2015632066	BGNBTCBXRQFTBY-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)[C@@H]1CCC1(C)C	2016142653	ATCQDBHQOHBGIB-KKUMJFAQSA-N	237.431	4.536	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@@H]1CCC(C)(C)C1	2016148819	DASNXOWLHARMNE-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@]12CCC[C@H]1C2	2016448898	WNSAPSQQXORIAV-IJEWVQPXSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@H]1C[C@H]1CC	2016853344	ZFKJCFQRJILVKP-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC1(C(C)(C)C)CCC1	2017118054	CJSGORXDVAPCIA-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CC(C)=C(C)CN1CCCC[C@@H]1c1cccs1	2017461244	HLQPZHGRYSNOJS-CQSZACIVSA-N	249.423	4.631	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@H](C)C(C)C)CC1	2017722638	HHMYGRYFLQUKGT-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@H]2CC2(C)C)CC1	2017773558	CDFDLTHPKZMFPX-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@]12CCCC[C@H]1C2	2018577585	JNIKGKGXUQDMNW-JYJNAYRXSA-N	237.431	4.502	0	10	BJAE	
CCC1(C[C@](C)(O)[C@H]2CCCC(C)(C)C2)CC1	2018971729	BTCVAFHEZWIXFN-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCN(C)[C@H](C)C1(C)CCCCC1	2019298618	BITAGFBMNLBYDR-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CCCC(C)(C)C	2019326659	XKMJKNYXLSMEKW-OAHLLOKOSA-N	241.463	4.959	0	10	BJAE	
CCC(C)(C)CCN1CCC[C@](C)(CC)CC1	2019376338	LJBZTGNSMOKBKJ-INIZCTEOSA-N	239.447	4.715	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)[C@@H]1C=CCCCC1	2019534241	XZFXKUPJRKJWDF-JKSUJKDBSA-N	237.431	4.632	0	10	BJAE	
CC1(C)CCC[C@@](O)(CCC2=CCCCC2)C1	2019765953	GLBFAZQPTKMLMR-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)CCC1=CCCCC1	2019774217	SZRVHUVFCLBEON-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@@H]1CCCC(C)(C)C1=O)CC(C)(C)C	2020387915	FLXVTMAKHGRVOJ-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
c1cc(N[C@H]2CCC3(CC3)C2)c2sccc2c1	2021771154	LOMWEBLBFFZWEJ-LBPRGKRZSA-N	243.375	4.646	0	10	BJAE	
CCCC[C@H](O)C[C@@H]1C[C@@H]1C1CCCCCC1	2022453157	CVNHRTGRIVAVFL-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC=C(CC)c1ccc([C@@H](CC)NCC)cc1	2025223193	KRWQPXPXEUUACV-MRXNPFEDSA-N	231.383	4.561	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@@H]1CCC[C@@H](C)C1	2026148392	WVFQTDQVPRUEAJ-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CCC1CCC1)NC	2026166747	MDWFQIVWRFCWJW-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC1CC(C)(C)C1	2026168039	WZHXAVWWOXYHQF-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)C1CC2(CCC2)C1	2026170045	MXDCZJDOOQZPCT-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@@H](N)c2c(C)c(C)cc(C)c2C)CC1	2026879279	VTWJRKHXXYRLRC-INIZCTEOSA-N	245.410	4.500	0	10	BJAE	
CCCc1ccccc1[C@H](N)C[C@@H](C)CC(C)C	2027901290	JHSZGXHEYPGRNZ-WMLDXEAASA-N	247.426	4.711	0	10	BJAE	
CCCCCCC(=O)c1ccccc1C1(C)CC1	2028579035	ZKTLPGWBVOZNPC-UHFFFAOYSA-N	244.378	4.891	0	10	BJAE	
CCC1([C@H](N)c2ccc(C3CCCC3)cc2)CC1	2031744070	GPCLCGMHWTXYSE-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](O)c1ccc(C2CCCC2)cc1	2031749808	MBSBXRXHTPCBIA-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1cccc(C2CCC2)c1	2032307542	WZNCZNRVCKXGHT-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)c1c(C)coc1C	2035531067	CQMAYIXPAHSGGO-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CCN[C@H](CC1(C)CC1)[C@H]1CCC2(CCCC2)C1	2037699334	BVRASUPDLJZROR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@@H]1CCC(C)(C)[C@@H](NCCC)C1	2037870390	JRGOZCKGPJVNRZ-CVEARBPZSA-N	249.442	4.703	0	10	BJAE	
CCN[C@H](CC1CC(C)(C)C1)C[C@@H]1C=CCCC1	2037973285	WTHPTCUQSMRUDH-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1[C@@H]2CCCC[C@@H]12)CC1CCCCC1	2038169509	ZQKQUEZYMYTLGD-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2C=CCCCC2)CC1	2039374204	KLEHXZWYFCABOS-PMPSAXMXSA-N	248.410	4.908	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1CC2(C1)CC1(CCC1)C2	2039424385	OZSJZYCVTWIWBN-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1CCC([C@@H](N)[C@H]2C=CCCC2)CC1	2039522636	UBOBYEPNQULCOA-LBDPXKHJSA-N	249.442	4.523	0	10	BJAE	
CC(C)(CC[C@@](C)(N)C12CCC(CC1)C2)C1CC1	2039847024	POJGEBXGWFJCLF-BLDCVEFLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H](C)C1(C)CCCCC1)c1ccccc1	2039862498	OKCFTFYYFNQILQ-LSDHHAIUSA-N	245.410	4.696	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1N[C@@H]1CCCC2(CCCCC2)C1	2040764543	DQKGIRBBOMDWJR-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)C1(C)CC=CC1	2042020118	UTBIFBCJEKUXOM-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](NC2(C3CC3)CCCCC2)CC[C@H]1C	2042948802	MUXVCJFTRTVOOF-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H]([C@@H]1C=CCCC1)[C@H]1CCC[C@H](C)C1	2043187191	KBRKLUBQWUWFSH-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CCC=CCCC2)CCCCC1	2045319390	CZKBHMHAOGNCJX-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CCNC[C@]1([C@H]2CCCC(C)(C)C2)CC=CCC1	2045509530	ZKWHLVOBXDXOSE-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](c1ccccc1C)C(CC)(CC)CC	2045800239	TWRNXSYICDBJEK-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@H](c1ccco1)C1(C)CCCCCC1	2045818873	RHGJBMDDDZJIOJ-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
C1=C(CCNC2CC3(CCCCCC3)C2)CCC1	2046226839	PSSKVCSAMGUCCT-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2CC23CCCCC3)C1	2047016012	MGILCWWLEFMTRN-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CCCC2)C1CCCC1	2047020439	POLFOKIJSPGLGZ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
c1ccc(NC[C@@H]2C[C@H]3CCCCCC[C@@H]32)cc1	2047410416	RWVAAPWYCBYKMQ-VYDXJSESSA-N	243.394	4.705	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)NCC[C@@H]2CC=CCC2)C1	2049530596	XQNMGJMWTCZWGC-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)CCC2=CCCCC2)C1	2049537901	VSKSUGCENNTQIJ-BHYGNILZSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H]1[C@@H]2CCCCCCC[C@@H]2C12CCCCC2	2049672269	KOIXFGRHADWWMM-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@@H](C[C@@H]2CCCC3(CC3)C2)NC)CC1	2049857764	NSMVNIFTLUGWOC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)C[C@H]1CCCC2(CC2)C1	2049858498	VJOFZXKPANITMY-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1=CCCC1)C1(C)CCCCCCC1	2052477998	IQKGXPOMCYASTI-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
N[C@@H](CCCC1CCC1)[C@H]1CCCCC12CCC2	2053411202	IPHKVJVELTZNMD-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(CN)CCCCC12CCC2	2053421108	QEAWTVRZQUGNOX-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CN[C@@H](C1CCCCC1)C1(C)CCC2(CC2)CC1	2056550929	ABNMQVOWWIFCNW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(CC2(CNC(C)(C)C)CC=CC2)C1	2056647961	JVEWLIASXWCTKA-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)CCC1CCC1	2056875598	IGYLLYHIIHTVOE-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCC1(C)CC1)[C@]12CCCC[C@@H]1CCC2	2059172463	NOSKOBQKJVIAMD-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)CCC1(C)CC1	2059245915	VTKWOPJUYXHFRN-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(C)c1cccc(Sc2ccccc2)c1	2060342552	FNMKLNVRHQZOLL-UHFFFAOYSA-N	228.360	4.961	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(C2=CC[C@@H](C)CC2)CC1	2060912983	IJMMHARFBADPGJ-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C[C@@H]1CC1(C)C)C1=CC[C@@H](CC)CC1	2061148881	YLAVSTKRONBRIW-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@@H](NC)C2=CC[C@H](CC)CC2)CCC1	2061152023	XHQNRCXKKPGKMJ-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](NC1CC(=C2CCC2)C1)C1CCCC1	2061250179	GAWLBUDWMFQYKD-KRWDZBQOSA-N	247.426	4.578	0	10	BJAE	
C=C=CCC[C@@H]1CC(C)(C)CC[C@@H]1CNC(C)C	2061563546	PVCMFIBTKFRXNY-HZPDHXFCSA-N	249.442	4.548	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCCC12CC2)[C@H]1CC1(C)C	2062019887	KYYLHXSNJVNCBD-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC1CCC(C[C@@H]2CC(=O)CC3(CCC3)C2)CC1	2063722249	XTGWACOKJDZABX-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068774356	YGNRSMDRHLFRFA-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
Cc1oc2ccccc2c1C(=O)C[C@H](C)C(C)C	2068978501	SFYVVVBRIYKMLV-NSHDSACASA-N	244.334	4.606	0	10	BJAE	
CCCC1(CC[C@@H](NC)c2ccccc2)CCC1	2069337956	QXUDBTAPAJOBNZ-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCCC1CCC(CN[C@H](C)C2CC=CC2)CC1	2072681526	KANVJLAXHNUPTD-QQFBHYJXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)[C@@]2(C)C=CCC2)CC1	2072795017	ZUPSJMJLRJUUML-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@H]2CCC3(CC3)C2)CC1	2072796882	TTZRRPAYKNGRCQ-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@H]2CCC23CCC3)CC1	2074646484	MXHVEPZUNZGLGY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CN2CCC23CCCCC3)CC1	2075345075	YDNFRLDDIMZKLQ-WKILWMFISA-N	249.442	4.611	0	10	BJAE	
CCCN(C1CCCCCC1)[C@@H]1CC[C@H]2C[C@H]2C1	2076556926	WFRRHTBQNBWCFQ-YQQAZPJKSA-N	249.442	4.610	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2C[C@H]3CC[C@H]2C3)c1	2077264277	OBJJAZKVGSSNTL-RVSPLBMKSA-N	241.378	4.555	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1C[C@@H]1c1ccccc1	2079852447	QMACQYBYRWMPIY-NVXWUHKLSA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)[C@H]1CCCC12CCC2	2079863201	JQAITJTWQKONJA-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](N)(C[C@H]1C[C@@H]1C1CCCC1)C1CCC1	2079883124	DATORXVTPWHHBK-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CCN(C[C@H]1C[C@@H]1C(C)(C)C)c1cccc(C)c1	2080082190	IVXUKEFSAKGQTP-ZBFHGGJFSA-N	245.410	4.504	0	10	BJAE	
CCC(C)(CC)CN(C)Cc1cccc(C)c1C	2082956745	XTALJJHBUWDGJI-UHFFFAOYSA-N	247.426	4.562	0	10	BJAE	
CC1(C)CC(C)(CC[C@@H](N)C2CCCCC2)C1	2215432418	MCSQNQCJIZVKPJ-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC1(C)CC(C)(C)C1	2215459922	BEIGFAXBKQENGY-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@]1(C)CC=C(C)CC1	2215823180	FUYZZJQNXMAZFK-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NC2CCCCC2)C1	2216248561	YGNTVXGNAZDHHS-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CCC1CCCCC1)CNC1CCC1	2217124476	HUERXLWSEQNHQP-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@](C)(CNC1CCC1)CC1CCCCC1	2217142866	XYDWNEOMKPCNCL-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
N[C@@H](C1CCCCCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218350389	LAWLGOJAMMGJKW-ABFRBSLYSA-N	249.442	4.501	0	10	BJAE	
C(CCCN1CCCC2(CCC2)C1)CCC1CC1	2218756705	ZCXIJVJYPZEZFJ-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC=Cc1ccccc1	2219082828	PNDFBQGYTBOJSP-DOTOQJQBSA-N	245.410	4.634	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC=Cc1ccccc1	2219082871	AFYGEQLJUWKPLO-DLBZAZTESA-N	245.410	4.634	0	10	BJAE	
N[C@H](CC[C@H]1CC2CCC1CC2)C1CCCCC1	2220288779	OBKUPVFPIPEYKY-YQEWQEHLSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](N)CCC2CCCC2)CC2(CCC2)C1	2221022869	LIFZPVZYAAQQMU-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C[C@H]2CC23CCC3)C1	2222272864	ZYLQBBULPSUBNW-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1ccc(C2CCC2)cc1	2223701007	GGBZAJNGNQTKLF-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
Cc1ccc([C@H](C)[C@H](O)C[C@H](C)C(C)(C)C)cc1	2223967055	BMRTUXBAJMLJAE-OFQRWUPVSA-N	248.410	4.532	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C(C)(C)CCF)C1	2246670331	VKTBMPZBMPKLRE-CHWSQXEVSA-N	242.378	4.548	0	10	BJAE	
Cc1ccc(NCCCC[C@@H]2C[C@@H]2C)cc1C	2247114002	FZYMLFRXCJJTKV-LSDHHAIUSA-N	231.383	4.542	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CCC2(C)C)CC1	2247430560	FXJVVSVIFNOHLR-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
Cc1ccccc1OCCCCC[C@@H]1C[C@H]1C	2248813850	IVFWBKIHWMWWKM-HUUCEWRRSA-N	232.367	4.590	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC1(C)C)[C@@H](CC)CCC	2250353533	VQIAWTKNMNHHDH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C1=CC[C@@H](C(C)C)CC1	2250390243	QWYYXICGFVWGRH-FMKPAKJESA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@@H](N)C(C)(C)C	2250478367	IEXXBIQBVMBUDV-HUUCEWRRSA-N	241.463	4.993	0	10	BJAE	
CCCC[C@H](CC)NC[C@]12CCCC[C@H]1CC2	2251199941	COLUNHOADKCUGF-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C[C@](C)(N)c1ccc2ccsc2c1	2253064689	FDOILTCSYPRLMJ-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@H]1CCCCC12CC2	2253811368	VVYRNSFBUURREJ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc2c1N[C@@H](C[C@H](C)C(C)(C)C)CC2	2253865502	PMUKTPMGJYWEDY-DZGCQCFKSA-N	245.410	4.794	0	10	BJAE	
Cc1cc([C@H](N)CC[C@H]2CCC[C@H](C)C2)oc1C	2253938064	KPHNQMJBBKSQAR-NILFDRSVSA-N	249.398	4.503	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)C[C@@H]1CCCCC12CC2	2254945829	OYFMGMVMGPYNIC-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(CC)c(NC[C@H]2CCC2(C)C)c1	2254954473	LXMBGQROQCGGKG-OAHLLOKOSA-N	245.410	4.660	0	10	BJAE	
Cc1cc(C)cc(NCC[C@H]2CCCC23CC3)c1	2255277314	FDFOUXHWTAFQCR-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
CC(C)C[C@]1(CC[C@@H]2CCCC23CC3)CCCN1	2255324642	ZJUDKXSCLUGUER-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC1(CNc2cccc(C(C)(C)C)c2)CC=CC1	2257908555	XYZLWGLEKLBDPS-UHFFFAOYSA-N	243.394	4.752	0	10	BJAE	
Cc1cc(NC2CCC(C)(C)CC2)cc(C)c1C	2258248364	RPSAWGYQIWEJBZ-UHFFFAOYSA-N	245.410	4.993	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CCC1=CCCCC1)C2	2259454430	OZRYTDASUNFTGX-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC1CC2(C1)CC(C[C@H](N)C1CCCCCC1)C2	2259546352	ZADIQWSQUKXRRR-XRFBTWBJSA-N	249.442	4.501	0	10	BJAE	
CC1(CCNC[C@@]23CCC[C@@H]2CC3)CCCCC1	2260577545	GGXCIEQDUKCGHH-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)C[C@]12CCCC[C@H]1CC2	2260677355	FDPVINGHNBIASK-XJNFMUPTSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)[C@@H](NC)c1cccc(C2CCCC2)c1	2260724302	ZWSYCBWKDQRMNO-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H](CCC[C@@H]1C[C@@H]1CC)NCCC	2298128810	RSBQQOVLFZWRRG-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@](C)(O)[C@@H]1CCC[C@@H](C)C1	2300676496	PJICKMGPOHDGBR-BMFZPTHFSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCC(=O)C1CC[C@H]2C[C@@H]2CC1	2300683663	MBEAYTHDMWIBKD-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCC(N)(C1CCC1)C1CCC1	2300699852	IQWNDLZJZZPJOK-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)CC=C(C)CCCC(C)C	2300873876	DWMUJHSQNCKIOY-CVEARBPZSA-N	239.447	4.913	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CC=C(C)CC)NC	2300902591	WCSCEJJJOQWTOF-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1CC[C@H]1C)CCCC(C)C	2300940360	RHVWGVSISHHXDJ-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](O)CC1CCCCCC1	2301135244	IFEYGFGFVXIRGN-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N[C@H](C)CC1CCCCC1	2301714452	OHOCLXOCEQMIFW-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@H](C)[C@H](C)C(C)C)CC1	2301899515	JXLPNXXLHOUBCZ-FMKPAKJESA-N	236.399	4.620	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)CCC1=CCCCC1	2301929342	UXCBNJSZTBVZFR-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2nc([C@@H]3CC3(C)C)cs2)C1	2302261106	ZRDZAVGNTBHARB-UTUOFQBUSA-N	249.423	4.950	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CC[C@H](C)C(=O)C2)CC1	2303593700	ZUPIXFAHDACDNV-NWANDNLSSA-N	234.383	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CC2CC(C)C2)CC1	2303601401	FAMSPIAWOQRCPU-WPBUFGDCSA-N	234.383	4.518	0	10	BJAE	
c1ccc(-c2nc(C3CC3)c(C3CC3)s2)cc1	2303782565	UZCXHYXXWIFVGM-UHFFFAOYSA-N	241.359	4.565	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(C)CCC[C@]2(C)O)C1	2304395751	FBHYYHHTWFNAMR-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
c1sc(C2CCCCC2)nc1[C@@H]1CC12CCC2	2304511659	ZYVHBKCAXIYEIC-LBPRGKRZSA-N	247.407	4.848	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H]1CC[C@@H]2C[C@@H]2C1	2311745719	HUUBYJLMCDVFEP-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1(C)CC2(CCC2)C1	2316500772	AMLBZOVKHVCYMG-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)c1ccc(F)cc1	2316510780	WTSZSLNKTYUWAR-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
NC[C@@]1(CC2CCCCCC2)CCCC12CCC2	2316876121	RVXFIEASHCYRCB-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2317003304	UPWLZVJBNOPLOT-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1C[C@H]2C=C[C@H]1CCC2	2317118044	FTYVWFIHZILQEE-HZMVEIRTSA-N	249.442	4.680	0	10	BJAE	
C[C@H]1CCCC[C@]1(C)NCCCC1=CCCCC1	2318537375	AIBWXPHQKWXNRL-RDJZCZTQSA-N	249.442	4.825	0	10	BJAE	
CN[C@H]1[C@@H](CCCC2=CCCCC2)CCC1(C)C	2318540758	QTUNFGZVHBQAIA-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@@H](N)CCCC2=CCCCC2)CCC1	2318581527	XMOFKGUBYUYRDC-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CCCC2=CCCCC2)C1	2318584339	ZHRBYJAAOPDJQQ-WBVHZDCISA-N	249.442	4.812	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)C2CCC3(CC2)CC3)C1	2319120454	DBKGTMBVJOQKCT-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320152543	KOVCTGWWVGGCPW-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@]1(C[C@@H]2CCC(C)=C(C)C2)CCCCCN1	2320348257	OQWWJWJTAVXUKR-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C[C@H]2C[C@@H]2CC)cc1	2320375435	RYORUHGUZWRWOR-HEHGZKQESA-N	244.378	4.819	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CC(C)(C)C[C@H]2C)c1	2321083128	OCFFTLAJYYTWSN-IAQYHMDHSA-N	249.373	4.625	0	10	BJAE	
CCC[C@@H](CC)CN1CCC[C@@H]1c1ccc(C)o1	2328097918	QCIAFGLLBKSITQ-HUUCEWRRSA-N	249.398	4.551	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cc(C(C)C)ccn1	2328101537	JTXKLCVSOCJUGV-CYBMUJFWSA-N	247.382	4.604	0	10	BJAE	
CC(C)CC[C@H](C)Nc1cccc(Cl)c1F	20472173	NCOVMZHDMTVJOY-JTQLQIEISA-N	243.753	4.716	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](CC)C[C@@H](C)CC	36792262	GEZFVCGIYMJGQE-ZNMIVQPWSA-N	227.436	4.760	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(C)c(O)c1C	37130475	XJVXGEYVHYEYEA-FZMZJTMJSA-N	249.398	4.636	0	10	BJAE	
CCCCC[C@H](NCCCC)c1ccccc1	37197969	FROHSAOZJLCAHD-INIZCTEOSA-N	233.399	4.698	0	10	BJAE	
CCc1ccc(CNc2ccc(C(C)C)cc2)o1	51721332	GQZLBBNYRGIVNX-UHFFFAOYSA-N	243.350	4.578	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](c1ccccc1)C1CC1	69374549	PCACWDRAZLICIH-IRXDYDNUSA-N	245.410	4.696	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)C2CCCC2)cc1C	70305708	MDQDEPXOYNJNFJ-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(Cl)cc2)C1	70562204	HMIAXVSXRSATPZ-SMDDNHRTSA-N	237.774	4.721	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC[C@H](O)C1	70775695	ANSUJYVMNXLDFB-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCCNC[C@@](C)(CCC)C[C@H](C)CCC	71127714	AZYKUAWXMHBJOI-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CCC[C@@H](NCC)c1ccc(C)c2ccccc12	79904933	DKRADNYUQOUVLS-QGZVFWFLSA-N	241.378	4.599	0	10	BJAE	
CCCCCC[C@@]1(O)CCCC(C)(C)CC1	83520565	MYMAIBISHOKSCP-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(c2ccc(C)cc2)CC1	86950871	SNNBFKMSPKKABZ-WBVHZDCISA-N	246.394	4.563	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)C(CC)CC	87172728	ZUMZISIDNIFBBY-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](NCC)c1cc2c(C)ccc(C)c2o1	88074262	ZNJGQQIEDVKGJN-AWEZNQCLSA-N	245.366	4.500	0	10	BJAE	
CCCC(=O)C[C@H](C)Cc1ccc(CCC)cc1	107477244	MXYBCKMCCCLJIP-CQSZACIVSA-N	246.394	4.577	0	10	BJAE	
CCCc1ccc([C@H](CC)CCC(C)=O)s1	107544865	HXDRBPCDPCSXMV-GFCCVEGCSA-N	238.396	4.563	0	10	BJAE	
CCCCCc1ccc(NCC(C)(C)C)cc1	109761412	HWMSXBBEESQYJQ-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CC2CCCCC2)c(C)c1	109786890	QOHKMOPIJAATDO-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
CCc1ccc([C@@H](O)CCC2CCCCC2)cc1	109788117	QYJHPBSNQOVITO-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@@H](C)CCC)NC	126008733	WPETXDKQPHOMGA-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](CNC(C)(C)C)C1CCCC1	128315299	YGNNLYMAAACLMO-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1CCCCCCC1)[C@@H](C)CC	159113750	ZHOXCNBABCFXKY-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@H]1CCCC[C@@H]1CC	166800208	JACMZNUUNGHZKN-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)c1cccc(C)c1C	166916812	RMOYEUIGHWKABL-HYVNUMGLSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1(CC)CCCC1	167117235	BBTDKJVVGATSKP-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CCCCN1Cc1ccc(C(C)C)cc1	199887560	NXSHNEAIKAZOKY-KRWDZBQOSA-N	245.410	4.575	0	10	BJAE	
CCCCCCOc1ccc(C)cc1Cl	201650256	WCACUSMBAJNTGC-UHFFFAOYSA-N	226.747	4.608	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@H]2CCC[C@@H](C)C2)c1	216351205	IEGZFDXNQUYHAG-WQVCFCJDSA-N	245.410	4.533	0	10	BJAE	
FC(F)C1(c2ccc(Cl)cc2)CCCCC1	220826297	MROOCANQLKVVPW-UHFFFAOYSA-N	244.712	4.807	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)c1cccc(C2CCC2)c1	226801277	QEWBHRABOWKCSB-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](c1ccsc1C)C(CC)CC	227913213	DCZCBJOVLFWGJZ-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCC[C@H]1C	250833957	SRKZXOROCULIKZ-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@@H](C)C(C)(C)C)C1	253196188	SMYDACACDXCHEX-RQJABVFESA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1C[C@H](C2CCCCC2)c2ccccc2N1	300115271	DUXSHVRDBQRIQJ-IUODEOHRSA-N	229.367	4.555	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C[C@@H](C)C(C)(C)C	300992038	VUHSIOXNLLZACX-CHWSQXEVSA-N	226.404	4.700	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C1CCCCCCC1	302246461	AQNPMDBDUHZXHR-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
C[C@@H](C[C@H](O)CCC1CCCC1)CC(C)(C)C	305926112	IUJYIKLQWSGYHZ-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@@H](CC)CC(C)C	308093171	JHBARYYWCVEUOD-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
C/C(=C\CCNC(C)C)CC1CCC(C)CC1	310117651	HLEWMCJTKDDDMV-GIDUJCDVSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](NCCC2(C)CCCC2)CC1	310190788	ZWENLJOSWVZPRE-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC[C@@H](O)C1CCCC1)C1CCCCC1	310369729	XKHIFZAZYCYYGG-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C(C)(C)Nc1nc2ccccc2s1	310542689	TYKBIUCAGIHHRI-UHFFFAOYSA-N	248.395	4.533	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC(C1CCC1)C1CCC1	310722096	IXWATBKVNCSJHQ-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CCC1(C[C@@H]2C[C@@H](C)Nc3ccccc32)CCC1	311024942	ZVTPNCBOCCAFTJ-KGLIPLIRSA-N	243.394	4.945	0	10	BJAE	
C[C@@H](Nc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1C2	314533544	ALGLDOIQRVPJLU-YXMPFFBPSA-N	249.785	4.577	0	10	BJAE	
CNC[C@]1([C@H]2C=CCCCCC2)CCC[C@H](C)C1	316725824	AEKJDFDAHNPXGZ-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(CC)CNC(C)C	317891229	VWIPSFSDKXWTCZ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1cccc2ccccc12	319362621	OTBDYVCGOMBOBX-OGHNNQOOSA-N	242.362	4.555	0	10	BJAE	
CCN[C@H](CC[C@H](C)[C@H](C)CC)c1ccccc1	319870422	HTMFTMDGWLUGHM-HLLBOEOZSA-N	247.426	4.800	0	10	BJAE	
CCC[C@H](C)n1ccc2ccc(Cl)cc21	379604337	ZIWGCAPYPVREPR-JTQLQIEISA-N	221.731	4.656	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1csc(C)c1	381236970	UNBRUSQKHWXWLT-JSGCOSHPSA-N	239.428	4.663	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CCCCCC(C)C)C1	383091946	CGVDJYGRRUGMFT-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
CNC[C@@H](CCCCCC(C)C)C1CCCC1	383096509	AJSWVCUFFAFTRJ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CSc1cccc(N[C@@H]2C=CCCCCC2)c1	383128483	PRLGWPZMAZOXMG-CYBMUJFWSA-N	247.407	4.709	0	10	BJAE	
CC(C)CCCCC[C@@H](C)CCNC(C)C	383167517	KGOWPSDTWCMWME-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC(C)(C)C(C)(C)C)C1	383730244	ARMDYRQJHLRHCU-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](NCC)c2cccc(C)c2C)CC1	384993193	QSLYHTPIKJRULG-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCN[C@@H](CC1CCC(C)CC1)c1ccccc1	385305359	XXBKICFGZJZIEC-DQPZFDDXSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](c1cocc1C)C1CCCCCC1	385326552	PBTNCNHCBOQGLB-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CCCCC1CCC([C@H](N)c2cocc2C)CC1	385569079	ZMPRADBEDUPLFE-XUJLQICISA-N	249.398	4.584	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)CCC(C)(C)C	386040858	ARMSCGHFYXPUIU-KGLIPLIRSA-N	227.436	4.760	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NCC1CCCCCCC1	388923785	SFUSNHDMSBYGCE-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCc1cccc([C@H](NC)C(C)(C)C(C)(C)C)c1	394085518	VQNBABZZNPFRRH-HNNXBMFYSA-N	247.426	4.582	0	10	BJAE	
CC(C)CCCNc1ccccc1OCC(C)C	394099980	UGJTUTNVTPBFCD-UHFFFAOYSA-N	249.398	4.570	0	10	BJAE	
CCCNC/C(=C\[C@@H]1CCC[C@@H](CC)C1)CC	394515273	LXTWBWDGJTWLJR-RTIMKCCJSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CCC[C@@H](NCCCC2CCCCC2)C1	395276491	XSBBTVGVBPULBD-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
Cc1cscc1N[C@H](CCC(C)C)C1CC1	395644092	GJDVCDMGMOLMLY-CYBMUJFWSA-N	237.412	4.683	0	10	BJAE	
CCOc1csc2c(Cl)cc(CC)cc12	396191745	PVUVBIXDQDJADP-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc2sccc2c(F)c1C(F)(F)F	396298427	MMRXHRFSLAKOHY-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@H](NCC(CC)(CC)CC)[C@H]1CC1(C)C	397724735	YHWTXJPDVQXLCI-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1=CCCC1)NCC	401092761	WDJNONHBICKDDU-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccc2c(c1)CCCC2	404625087	CCAUODRBRKKOQE-CXAGYDPISA-N	243.394	4.556	0	10	BJAE	
CCCC1(CNc2c(C)cccc2Cl)CC1	687546741	YBHAYCYVAVWKRN-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
c1ccc2c(NCCCC3CCC3)cccc2c1	688404682	KFNQPKYDVFMUOP-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
Cc1cc(C)c(C(=O)CCCC2CCC2)c(C)c1	688797102	ALPHTXSVRBTZJI-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)CC2CCCCC2)c1	689723484	ZVBXTONDDHNEJI-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CC(C)(C)C(F)(F)CC	691004531	YPJZDKPQANNJMY-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCCCC[C@H]1CC	691107886	WCEZOMKOAJUREQ-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC1(C)CCCC1	691169093	DDTYOOTWXARVMA-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCC(C)(C)C	691170726	WDDYFCMELAINBW-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC1(CNC[C@@]23CCCC[C@H]2C3)CCCCCC1	693552222	XVZREGBOXGTPLU-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](C)CCC(C)(C)C	695062871	RZYYMZDZOXGSFQ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)[C@H](C)C(C)C	696548445	BNGVGUPRFJNCQM-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1ccc(Cl)cc1	696654209	YUPANSWEZBOYKI-ZDUSSCGKSA-N	239.790	4.556	0	10	BJAE	
CCN[C@@H]([C@@H](CC)c1ccccc1)C(C)(C)CC	701135431	ANTVFKLWBCKBCP-HOTGVXAUSA-N	247.426	4.595	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1ccc(C(C)(C)C)cc1	701211150	AUHSRSFIJITUQS-HNNXBMFYSA-N	247.426	4.810	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)C2CC(C)(C)C2)cc1	701472094	ZBUMZBBHCICFDD-BLLLJJGKSA-N	245.410	4.636	0	10	BJAE	
CCC[C@](N)(C1C[C@@H](C)C[C@H](C)C1)C(C)(C)C	704917541	ZMYZETUCMNJWGP-XEZPLFJOSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CCCCNC(C)(C)C)CC(C)(C)C	709189931	QLJLFOQHVNUDCG-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](NCC)C12CCC(CC1)CC2	710304684	HYJHFKUVJDYGSW-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)cs1	710730321	ZQHCHMLIIAFBPW-CORIIIEPSA-N	249.423	4.683	0	10	BJAE	
CC[C@@](O)(C[C@@H](C)C(C)(C)C)c1cccc(C)c1	710803139	LXESKZVTVSCOSM-RHSMWYFYSA-N	248.410	4.665	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1C[C@H]2CC[C@H](C2)C1	711048198	KNVAZBIPURAJIU-FOLVSLTJSA-N	243.394	4.548	0	10	BJAE	
CC[C@H](C[C@H](N)CCCC1CCC1)C(C)(C)C	711212095	GUBYGCZWOSPHQX-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC1CCC1)N[C@H](C1CCCC1)C1CCC1	711832013	NFRMVRSHWUALJG-CXAGYDPISA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CC(C)(C)CC[C@H]2C)c1	713069117	WYDXQJFNLGGAAR-DOMZBBRYSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H]1C[C@@H]1CC	718647115	RLYYVQCGXBFNAO-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1cc2ccccc2s1	723125598	AAYKZDAVXSHFSC-CMPLNLGQSA-N	244.359	4.520	0	10	BJAE	
c1ccc2c(CSCCC3CC3)cccc2c1	1640879819	AWJSIINWRRNHDH-UHFFFAOYSA-N	242.387	4.873	0	10	BJAE	
Cc1cccc(CSC[C@@H](C)C(C)(C)C)c1	1652840390	FBPRDKFYCWORQG-CYBMUJFWSA-N	236.424	4.910	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CC=C(C)CCCC(C)C	1900900756	OBGXVWIGUBWAKS-CABCVRRESA-N	225.420	4.523	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC1CCCCCC1	1901059211	TZNJEFZKMNKKQT-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1CCC(C)(C)C1	1902390676	MMQLMSQPLBEWAW-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)Cc1c(F)ccnc1Cl	1903369430	GHQAUNDAYWCLRT-SNVBAGLBSA-N	243.753	4.633	0	10	BJAE	
CCCCCN(C[C@@H](CC)CCC)C(C)C	1905299924	GWDSDTCWTOAWGR-HNNXBMFYSA-N	227.436	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CC(C)(C)CCC1=O	1905444006	KCQXVTUELCBECL-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC[C@](O)(CCC[C@@H]1C[C@@H]1C)C1CCCCC1	1908564793	UKOAJKNZYQZBOM-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H]1CCCCCCCC[C@@H]1O	1913397829	KAFIKMBBIKVJAA-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H](C)CC(C)(C)C	1919508746	SXIJMJPLWODKBG-UKRRQHHQSA-N	228.420	4.780	0	10	BJAE	
CCC(CC)C[C@](C)(O)c1ccc(C(C)C)cc1	1920042698	FFEHRGWDFQWLFL-KRWDZBQOSA-N	248.410	4.844	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H](O)CC1CCCCCC1	1921555964	VLHJZDGEUANQDS-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CCC1(N)CCC(C2CCC2)CC1	1921581946	ZBOWAYQVNFBKGH-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@H](C)C1CCCCC1	1924086845	PLDUYQLEPMKUST-NVXWUHKLSA-N	249.442	4.703	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@H](C)C1CCCCC1	1924099672	LBQVYCXMWAXNJH-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
NC[C@@H]1CCCC2(CCC2)[C@@H]1C1CCCCCC1	1924838716	PJQMODXCGPRRNR-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
CCC(CC)CCNCC[C@@H]1CCC[C@@H](C)C1	1926159492	LOSJMUIDPNVNOH-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CCNc1cccc(F)c1Cl	1926209640	MWGOUVPXEQNLPE-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@@H](C)CCC(C)C	1937163130	KTESICNZISUFBE-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
C[C@@](N)(CCCC1CCC1)CC1CCCCC1	1941464364	LMKIXLMGGRMMDA-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC[C@](C)(CNC1CC1)[C@H](C)CCC(C)C	1942662987	YQCSMWANAUABMI-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)C(C)(C)C1CCCC1)C1CCC1	1944640616	GJUVMNVEVFHQMC-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@@H](C)CC(C)(C)C	1947454383	ARUYPNVFSLHQIS-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(N)CCC[C@H]1CC1(C)C	1949050391	DGGWYHPXHZTCPH-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc(Cl)cc1-c1ccc(N)c(C)c1C	1949228806	NBQVWNKDJYYSKX-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC1(C)CC[C@@H](n2ccc3cc(F)ccc32)C1	1949493441	NBFIMXUXXGONCH-CYBMUJFWSA-N	231.314	4.532	0	10	BJAE	
C[C@@H](CCC1(CO)CCCCC1)CC(C)(C)C	1950370931	GTGHHGIKBRUNDT-AWEZNQCLSA-N	240.431	4.782	0	10	BJAE	
CCCCC[C@H](C)NC1CC2(C1)CC(C)(C)C2	1950988674	NGXXVODCUBNPPB-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CC=C[C@H](C)Cc1ccc(OC)c(C(C)C)c1	1951308146	AMCHIYIEUJLVQR-ZDUSSCGKSA-N	232.367	4.573	0	10	BJAE	
C[C@H](CCC[C@@H]1C=CCCCC1)C(F)F	1957934134	DUCSXNMIPRYOLI-VXGBXAGGSA-N	216.315	4.804	0	10	BJAE	
CC(C)C[C@H](C)CN1CC=CCC12CCCCC2	1966511078	FDMIGGWSDBWIKP-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
CCC1CCC(CNC2(CC)CCCC2)CC1	1970115130	YTILFUDLDIKVDV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1NC1CC2(CCCC2)C1	1972922758	FEJHSWLDECHWBQ-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCCCC1)NC1CC[C@@H]2C[C@H]2CC1	1973359365	TXNPNFHSCQSKNH-FVQBIDKESA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)[C@@](C)(O)C1(C)CCCCC1	1975570998	NFLHFXOKUFHYBL-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@@H]1CCC=CCCC1	1978271678	DQZVMUQBNQBTIW-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
C/C=C/CCCC(=O)C1(C(C)(C)C)CCC1	1989453020	HQJKFOYVKORUTK-AATRIKPKSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H](C)CCC	1995215723	YIGJAIVEHCTQOS-UONOGXRCSA-N	226.404	4.988	0	10	BJAE	
Fc1cc(Cl)c2occ(C3CCCC3)c2c1	1995499176	ZDYXEHLPFVMXCG-UHFFFAOYSA-N	238.689	4.883	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1(C)CCCCCC1	1995827597	WJKKNZQTYXVZEM-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CC1(C[C@](C)(O)C2(C)CCCCC2)CCCC1	1995990959	LQKCQUIBPHBYSQ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@H](CCC(=O)CC1CCCCCC1)C(F)F	1996104096	CWSPEJVZIUSUGG-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCNCC(CC)(CC)C[C@H]1CC[C@H](C)C1	1996273114	YFIQDUGQDUQXKM-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)C1CCC(C)CC1	1996561857	PSOMIMMHGBCRQD-GYTBAZASSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H](C)CC(C)C)CC1	1997099832	IUSHQICOULBMKP-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](CCC(C)C)NC)CC1	1997117157	PHMRRLJWCPSLFK-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(N[C@@H](C)CC1=CCCCC1)C(C)C	1998381473	WVPKCKDSRGBOKB-AWEZNQCLSA-N	237.431	4.536	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)C[C@@H]1CCC=CCCC1	1999990733	MEQAFEASFRKLLW-BZUAXINKSA-N	237.431	4.523	0	10	BJAE	
CCC[C@](C)(CCCC1CCC1)CNC1CC1	2000519677	YGMBQKRJNYKTNW-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCCCCC1(F)F	2000763381	HCLLOUMCEGAGIE-LBPRGKRZSA-N	246.341	4.742	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2002231048	NGKMLWZIMVRITA-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@@H](N)[C@@H]2CCCC(C)(C)C2)CCC1	2002978362	HOVHCLOWNSOGKN-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@@H](C)C(C)(C)C)C1	2003016716	QFVYLDHEJREJCK-HGTKMLMNSA-N	239.447	4.602	0	10	BJAE	
CC(C)C1CC(NC2CCCCCCCC2)C1	2003097431	AMBMXAJYGMTLEV-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1CCCC2(CC2)C1	2003275356	MLVLCUYNIPOAJA-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@](O)(CC1CC(CC)C1)C1CCCC1	2007756352	ILZZKTUYQFMRCO-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)c1cc(C)c(C)s1	2007939559	ITMMEKNTEPJOJK-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CC=CCCC[C@]1(CNC(C)(C)C)CC1(C)C	2009627805	KVCIZHDTHBDXGW-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](N)CC1CC2(C1)CC(C)(C)C2	2011844893	CMIMMLGSLDWWIM-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)NC1CCC2(CC1)CC2	2013268225	YBXDAPKEIADHFA-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@]1(C)CCCC(F)(F)C1	2014954329	KUJYJCBBDCLGQI-WCQYABFASA-N	246.341	4.597	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(O)CCCCC12CCCC2	2015283920	IRHPZOBRFKOVDY-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](O)CC[C@@H]2CC2(C)C)CCC1	2015632406	CMVADOSTEPWPPT-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@](O)(CC)[C@@H]2CC2(C)C)CCC1	2015636634	ZZGHLMPOUMPBLA-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@]2(O)CCCC(C)(C)C2)CCC1	2015638941	APXSMOWSTDGTOM-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CC1(CCC)CCC1	2015640245	QBCAKOLBVBHELY-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCCC1(C[C@@]2(CN)CCC[C@H](C)C2)CCC1	2015643609	DSGITOAVZYQARA-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC(C(C)C)C(C)C	2016120687	XKGLWNAKAXPHJW-INIZCTEOSA-N	239.447	4.769	0	10	BJAE	
CC(C)=C(C)[C@@H](O)C1CCC(C(C)(C)C)CC1	2017485193	QVGSIAYMLJKRDA-YMAMQOFZSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@@H]1CCC=CCCC1	2017703347	TVBAKNQUNONTTK-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](CNC(C)(C)C)C[C@H]1CC[C@H](C)CC1	2017721859	CFOWQMZMYLNSTK-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@H](C)CCNC(C)C)CC1	2017733271	INZQYURBZFLQBZ-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCCC[C@H]1C	2018137984	BBDBUKCMSOBCPW-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
CCCC1(C[C@@H](O)[C@H]2CCCCC2(C)C)CC1	2018969446	FTAZCYSRRUSHQY-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CC2(N)CCC(C(C)C)CC2)CC1	2019000200	NJUQZJJAGJWJEV-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@@H](C)CC(C)(C)C)C1	2019199257	DBMQQJXXYJROQD-RRFJBIMHSA-N	239.447	4.712	0	10	BJAE	
CCC[C@H](C)CN(C)C1CC(C)(C)C(C)(C)C1	2019291868	UBTUKPXREPIWPF-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](C)[C@H](C)N(CC(C)C)C1CCCCC1	2020535940	PDLSYLKIZAZJCX-CABCVRRESA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H]1CCCCC1(C)C	2020974952	WDCYHUXCNIEHKN-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCc1ccc(-c2cc(Cl)ccn2)cc1	2021480032	OAHUYDZRMIJINT-UHFFFAOYSA-N	245.753	4.745	0	10	BJAE	
CCCCCC[C@H](C[C@H]1C[C@@H]1C(C)(C)C)NC	2022486360	WOJSNVWLRQJATN-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C[C@@H]1C[C@@H]1C(C)(C)C)NCCC	2022486943	ZFYYPAZNNLKVJJ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2022556578	HJKWOLAFOOZVRR-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)C2(C)CCCC2)C1	2024096077	UJOLQLJARDDCGZ-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC1CCCCC1	2026139418	ANQBCKDGHQMPDF-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CC1CCC1)NCC	2026169348	HZGSZEOUQILJFP-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C[C@@](C)(F)c2cccc(N)c2)CC1	2027939382	ILQCQDZUMWANST-SEEARECTSA-N	249.373	4.670	0	10	BJAE	
CCN[C@@H](C=C(C)C)c1ccccc1C1CCC1	2029074345	JTUGTNNHFYAFRF-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
O[C@H](C1=CCCCCC1)[C@@]12CCCC[C@H]1CCC2	2031749753	LNWSRNVITAEZHX-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
FC1CCC(CNc2cccc(C3CC3)c2)CC1	2032179322	ZRLLTSYLUYUWGP-UHFFFAOYSA-N	247.357	4.504	0	10	BJAE	
CCC[C@@H](NCC[C@@H](C)C1CC1)c1ccccc1	2032227353	YPPOLCWAIYRKDM-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
CN[C@H](c1cc(C)c(C)cc1C)C(C)(C)C(C)C	2032344798	VPEDROKXXGCGHT-MRXNPFEDSA-N	247.426	4.555	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)C[C@H]3CCCC[C@@]3(C)C2)C1	2036661232	OIDXJPNJUQLBGF-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1CC[C@H]2C[C@H]2C1	2037130672	PKZFEDBZXWXNPG-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C[C@H](C)c1ccccc1	2037169948	ZFMDRPMXOAFOKA-DOTOQJQBSA-N	245.410	4.644	0	10	BJAE	
CC1(C)CC[C@@H](N2CCCC3(CCCCC3)C2)C1	2037678846	NLAPMUFQAXZNGB-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](CC1CC2(CCC2)C1)CC1(C)CCC1	2037971941	HISRXPLXKJVZLB-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CCNc2ccc3ccccc3c2)C1	2038096574	MCVGULDMTAIXRS-UHFFFAOYSA-N	239.362	4.688	0	10	BJAE	
CCN[C@@H](CC[C@H]1C=CCCC1)CC1CCCC1	2038114078	FPJJNXRIKBZNGL-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCc1ccccc1NC[C@H]1C(C)=CCC[C@@H]1C	2039448880	WBNXBLRVVXCXOL-HOCLYGCPSA-N	243.394	4.653	0	10	BJAE	
CCCN[C@H](c1ccccc1C)C1(CC)CCC1	2039719373	GUFDCTLRTTZTIW-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H](NCC1CC=CC1)C1CCC(C)(C)CC1	2040679914	GHHHBFVCYUBQOS-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CN[C@@H]1CCCC2(CCCCC2)C1	2040765320	OSGXHQXYEDUTOX-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(=CC1CC2(C1)CC(C)(C)C2)CNC(C)(C)C	2040974006	WXGOCVDNXRDVEG-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(CN[C@@H]2CCCC3(CCC3)C2)C1	2041296935	QQHSLUFGFIPBOX-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C1(C)CC=CC1	2042015611	BTILHHNOXYNBHU-MRXNPFEDSA-N	249.442	4.847	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)C[C@H]2CCC=CCCC2)C1	2045331131	CCALPKKQPFNMDJ-HRCADAONSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCCC(C)C)c1cccc(CC)c1	2045699748	UCTBJOOPIDBKCU-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@H]2CCC23CCC3)CC1	2047933163	RLUDUYBXYJNWPB-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](NC2[C@H]3CCCCC[C@H]23)CC1	2048389384	HVPATJRLVGSGQF-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
O=C(CC1=CCCCC1)CC1[C@@H]2CCCCC[C@@H]12	2048466518	YPGHIRMOJMSKDV-HZPDHXFCSA-N	246.394	4.662	0	10	BJAE	
C1CCCCC(NCC23CCC(CC2)C3)CCC1	2049669220	HVHAVPJFHBJURW-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CCC1)[C@]1(C)C=CCCC1	2050000184	KOYVFWQXINYQFB-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCC(C)=C(C)C)c1ccccc1C	2050459115	TWPZHJBEBBBLEB-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@H]2C=CCCC2)CC1	2051623027	IQPQVIFCUUFZGX-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(N)C=C1CCCCC1	2056918112	XQHJZKIJJBTJGX-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@@H]1CC1(C)C	2061098871	LMNLOGYPYGADKC-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CC(C)(C)CC[C@H]2C)CC1	2061115352	GSEUKOZSDWLGNH-CPUCHLNUSA-N	249.442	4.667	0	10	BJAE	
N[C@@]1(C[C@H]2C=CCCCC2)CCCCCC12CC2	2062010828	ZSIDQIGJJCDETI-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)[C@@]1(C)C=CCCC1	2062641940	MKXRPBUNNYOHFY-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063516646	POACAMHCLQSTLU-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H](C[C@H]2CCC=CCCC2)C[C@@H](N)C1	2063642661	QNHANGIQQVRIEY-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C12CCCC1CCC2	2063821944	MVCFLGOQACMZOB-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C[C@H](N)CC23CCC(CC2)CC3)C1	2065306428	VRFFLKSLKIVQJG-GULBITTBSA-N	249.442	4.501	0	10	BJAE	
CC/C=C\CNC1CCC2(CCCCCC2)CC1	2065897273	NVHPJEOWWSSGSX-BAQGIRSFSA-N	249.442	4.825	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@H]2C=CCCC2)CCC1	2069336696	CLVMXDCKMSGFQB-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@]2(N)CCCC3(CCC3)C2)CCC1	2069339633	LKJYCHXYFSUTRN-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
Cc1cccc([C@@H](O)CC2(C(C)(C)C)CCC2)c1	2071904246	OWUSONLASCVRBX-HNNXBMFYSA-N	246.394	4.635	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](C[C@@H]2C=CCC2)NC)CC1	2072682420	VCZASGFKBVEOPI-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@H]1CC[C@H](C)CC1)[C@H](O)c1ccccc1	2072791684	SNSLSSJFNSPHPZ-ANQUJSFKSA-N	246.394	4.573	0	10	BJAE	
CC(C)[C@H]1CCCCN([C@@H]2C=CCCCCC2)C1	2074795843	AMXDRRXARQBHBB-DLBZAZTESA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@H]1CCCC12CCC2	2074885964	PUMNQEILWXYHOS-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC[C@]2(CCN2CCC2CCCCC2)C1	2074886823	XLDTWHLHOAZTBZ-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CN(CCC1=CCCCC1)[C@@H]1CCCCC12CC2	2075145464	HUDLUZOKWYNRPA-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CCCCCC1CC(N(C)C[C@@H]2CC=CCC2)C1	2075168207	PFCTVRSGEIQCOI-KLAILNCOSA-N	249.442	4.633	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1ccc(C)c(F)c1	2077190853	WXHDBEGRJBJMAS-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
C[C@](N)(C[C@H]1C[C@H]1C1CCCC1)C1CCCCC1	2079882850	AXRZYRJSJUAKPP-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)c1ccccc1CC	2081208222	CBHVUCBLASIFRD-HOCLYGCPSA-N	247.426	4.868	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NCc1cc(C)cc(C)c1C	2082906288	VDJIBLKXXSXHAD-DOMZBBRYSA-N	247.426	4.526	0	10	BJAE	
CC1(C)C[C@H](N[C@@H]2CCCCCC23CC3)C1(C)C	2084368723	RIMAPHQHIBSOAL-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C(C)(C)NCCCCCCC1CC1	2213572310	UOZZAUIXZFYDEX-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@H]1[C@@](C)(O)CCCCCCC1CC1	2213575378	FPYGXWRKRZSNKL-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CCCCCCC1CC1	2213576653	SLGPMFRXVHVYNF-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CC[C@H]([C@H](O)CCCCCCC2CC2)C1	2213581020	RPDPVNJJOJZNLA-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CCCCC1CC1	2214565489	NJTVRNZDGLTNBR-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@@H]1CC[C@H]1C	2214951807	PTEBLLONBQYJML-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCC(N)(CCC)CC1(C)CC2(CCC2)C1	2215401062	MEIGADLTRMEASY-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)[C@@]1(CNC(C)C)CC=C(C)CC1	2215827358	VLUSREUCWZQOPO-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1CC=C(C)CC1	2215834408	ONRZQYJQYZTTAE-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCCCC(F)F	2216432670	GBFOEYPDEDKRFM-STQMWFEESA-N	249.389	4.746	0	10	BJAE	
CCC(CC)CC(CC)(CC)CNC1CCC1	2217125385	OZAQDOCYJXUUDZ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@@]1(CN[C@@H](C)CC)CCC1(C)C	2217136121	HWUCOWDSWZZVQA-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@]2(C)C[C@@H]12	2217278248	ZZKPQFCSWDSOIR-NWANDNLSSA-N	249.785	4.503	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CCCCC2CC2)cc1	2220031559	WIWSRLCADWBHIR-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C(C)(C)C1CCCC1	2222009931	WPMCJJXKADMCCH-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CCC[C@@H](CCC[C@H]1CCCCC12CC2)NC	2246628289	XEIRNKULVFRRDY-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC1CC(O)(CC[C@H]2CCC[C@H](C)C2)C1	2246695458	UKMDBZNHPQFKLK-QRNKSROTSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)[C@H](CC[C@@H]1CCC[C@H](C)C1)NC	2246727553	PIDQVJUDAPAALX-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)[C@@H](C)CC(C)(C)C	2247460898	HEODPQYMQVTRHP-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCC(O)(CCC)CCCCC[C@H]1C[C@@H]1C	2248881580	ZKHQXWREQJIHIB-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC(C)C)[C@@H](CC)CCC	2250354998	ITGJLYNIBMNZBY-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H]([C@H](CC)CCC)[C@H](C)[C@H](C)CC	2250361674	OVYVVCOOJNFTGW-FPCVCCKLSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@@H](CC)CCC	2250374878	YGSBVVKGGLJURT-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC1=CC[C@H](CC[C@H](C)CCCC(C)C)[C@@H]1O	2250487190	YDQXTVRMDFDSJC-VNQPRFMTSA-N	238.415	4.556	0	10	BJAE	
Cc1csc(C)c1C(=O)[C@@]12CCCC[C@@H]1CC2	2251108140	SOHZNRRUADOMSA-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CC[C@H](C)C[C@H](O)CC1CC(CC(C)(C)C)C1	2251585472	YNRONXPEWNQMKU-PPWQZUPISA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCCC(C)C)CCC1CC(C)C1	2251756294	ZLNTVOYBQMCYTA-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(CC1(C)CC(C)C1)c1ccccc1	2253693221	DYBVREUFDNAFAW-PREGVCBESA-N	246.394	4.501	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CCCCC12CC2)C1CCC1	2253800049	OKYALBBPGILCDU-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CCC1CC1)NCC[C@@H]1CCCCC12CC2	2253892703	YDVXIDRNOGCHOQ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC[C@H]1CCC[C@@H](C)C1)c1ccco1	2253929088	HNTJZGCJPMPBPE-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2CC3(CCCC3)C2)C1	2254105500	HEXKMGMFHPGSMJ-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC1CC2(C1)CC(C(=O)C(C)(C)C1CCCC1)C2	2254446815	CFNQNRBDFPNVNJ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CCCC[C@@H]1C[C@H]1C	2254613114	ZFHZWQBNRNGMGB-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
CN[C@H](CC[C@H]1CCCC12CC2)C1CCCCC1	2255290700	IVKDDPRLDYLDDF-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
O=C(CC[C@@H]1CCCC12CC2)CC1=CCCCC1	2255305916	YUIFCGXKLIPWCY-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C1(CC2CC2)CC1	2257244887	GAJYHLYRFSZQMR-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](NOC(CC)CC)c1ccccc1	2259214081	WKTUDWJHCJOYAF-INIZCTEOSA-N	249.398	4.628	0	10	BJAE	
CN[C@H](C[C@]12CCCC[C@H]1CC2)C1CCCCC1	2260582738	LDCOPOWTHHZZBL-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@@]23CCCC[C@H]2CC3)CC1	2260586194	GCVCIPZOGHQMTG-JKQORVJESA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(NC[C@]23CCCC[C@@H]2CC3)c(F)c1	2260628572	SYUPAJLVNNVENA-CZUORRHYSA-N	247.357	4.516	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)[C@@H]2CC=CCC2)C1	2261247078	NYDLDZQRBKCRGG-YMAMQOFZSA-N	248.410	4.764	0	10	BJAE	
CC1=CCCC[C@H]1N[C@H]1CC(C)(C)CCC1(C)C	2261396077	UXTLEJWUIWICPB-CABCVRRESA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H](C)CC1CC1	2298847214	FTEJBSXGXFAGJB-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](N)C[C@H]1CCC12CCC2	2300678153	HTAPBDUOQQRBBC-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCC[C@@H](C2CC2)C1	2300691865	ZEYRMGLUNWJEKA-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCC12CCCCC2	2300703141	BXAHHXROAXVQME-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](CC=C(C)CCCC(C)C)[C@H](C)NC	2300900840	CACTZRAEAOTAKZ-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC=C(C)CC)NCCC	2300909310	MTPHGJMDDFWGTQ-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CN[C@H](CC=C(C)CCCC(C)C)C(C)(C)C	2300937882	SHMJFPDLYZCVPY-OAHLLOKOSA-N	239.447	4.783	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1C[C@H]2CCC[C@H]1CC2	2301051732	YRNANHPICLOSQF-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC2CCCCCC2)C1	2301137195	GAJDRWQAWIZIEV-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1CC[C@@H](CC2CCCCCC2)[C@H](O)CC1	2301240060	WIEKTWMPQRXSCP-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@@H](C)[C@H](C)C(C)C	2301863879	IJVFLIBMWBISTJ-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@@H](C)[C@H](C)C(C)C	2301973060	XXMNHFLDJBLHEK-CVEARBPZSA-N	241.463	4.671	0	10	BJAE	
CN(CCCC1=CCCCC1)C1(C)CCCC1	2302361412	MSECSEXNWWMTCJ-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCC1CCC(CC[C@@]2(C)CCCCN2)CC1	2302529792	HBBQOQNKIPAQMS-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC[C@]2(C)CCCCN2)C1	2302617333	HOWGNGBNGNDEGD-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@H]1CCCCCC1=O	2303462507	SEBWPCRQJHBLAL-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@@H]1CC[C@H]1C(C)(C)C	2303475662	NBZGIJLCSVHHHT-WOSRLPQWSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)[C@]1(CNCC)CCC(C)=C(C)C1	2303579735	PSTKSWVKAJCJIY-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2CC=CCC2)C1	2304430498	BIRMOCCHTHPBFC-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC(C)c1cccc(NCc2cccs2)c1F	2307556829	LMEUNWNWUFFXJM-UHFFFAOYSA-N	249.354	4.623	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CC[C@@H](C)[C@H]1C(C)C	2307829336	SRKYKFZCBDWQDB-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CCCC[C@H]1CC	2307880610	WYPUAUSBKOXPHH-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CCC[C@H]1C(C)C	2307896516	VIKOHMMVWUCVHF-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](N)(C[C@@]12CCCC[C@@H]1C2)C1CCCC1	2311148198	RVJHCAVLWSPMIW-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2C[C@H]2C(C)(C)C)CC1	2312523443	HGOYURDFYQRXDG-JJRVBVJISA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCC[C@H]1[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2313346406	OZWXLHPRUQRKIR-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@]1([C@H](C)CC2CCC2)CC=CCC1	2313597605	BUCUGIWRAJYUOG-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCc1cc([C@@](C)(O)CCC=C(C)C)ccc1C	2314636875	RNZCVIZUBRUFLQ-KRWDZBQOSA-N	246.394	4.511	0	10	BJAE	
CC(=CC[C@@H](N)[C@H]1C=CCCC1)CCCC(C)C	2316503476	PRZGPENIOPWFDD-DLBZAZTESA-N	249.442	4.833	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CCCC2(CC2)C1	2316503567	QGPPJFKHTDGKBP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2316507961	HHBBOZBPEGOOPR-HRCADAONSA-N	248.410	4.908	0	10	BJAE	
CCC(C)=CC[C@@H](N)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2316534719	CIQWTHMKDJMMES-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
C1CCCC(C[C@H]2CCC[C@H]2CNC2CC2)CC1	2316997906	FCYPUTSRJFTKDA-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)c1ccc2c(c1)CC[C@@H](C)N2	2317950927	OIANMEMFXISQED-HZSPNIEDSA-N	245.410	4.829	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@@H]1CC12CCCC2	2317965619	ZNSJBXWYSLQFSH-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CCCCCCc1ccc(CNC(C)C)cc1C	2318364513	NAUGIYNBFGRPGB-UHFFFAOYSA-N	247.426	4.616	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@H]1CCC2(CCCC2)C1	2318937282	XVSGXZCFPFYINC-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCC(C)(C)C2)c(C)c1	2319290416	GHOKRFQHKQDXJE-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
CC1(NCC[C@@H]2CC[C@@H]2C2CC2)CCCCCC1	2319735653	YOXZHWPRVUMDAY-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CC[C@H]2C2CC2)c(C)c1	2319752213	WOTBVJGIBHBMNP-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CC2(C)CCCC2)CC1	2320409122	RAKLPEVZKKOIIR-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)Cc1cccc(C(C)C)c1	2320663927	HSDGLUIPKWTZLZ-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
CNC[C@]1(CC[C@H]2CCC(C)(C)C2)C=CCCC1	2321617413	VMRIKRGPTKCLRH-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CCC2C[C@@H]3CCC[C@H](C2)N3)C1	2321651457	YEOGJHHTQXQBKU-WZYMTQMTSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@@H](C)C2CCC2)c1	2327704246	SEHWOGNTQDVLBE-GUYCJALGSA-N	246.394	4.588	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CCCC(=O)[C@@H]2C)c1	2327782994	XLDPHJFKHCVJOC-UKRRQHHQSA-N	244.378	4.591	0	10	BJAE	
Clc1ccc2c(c1)oc1ccc(Cl)cc12	5845585	DOZUTNBCPVUMPY-UHFFFAOYSA-N	237.085	4.893	0	10	BJAE	
CCCc1ccc(NC2[C@H](C)CCC[C@H]2C)cc1	20553146	JQIWHVTXASUKLG-ZIAGYGMSSA-N	245.410	4.876	0	10	BJAE	
CCC[C@@H](C)Nc1cccc(Cl)c1Cl	20563606	VRKDXGAETDPRTP-MRVPVSSYSA-N	232.154	4.594	0	10	BJAE	
CC(C)[C@@H](C)Nc1ccccc1-c1ccccc1	21511964	RWDZNOALDCQTBX-CQSZACIVSA-N	239.362	4.810	0	10	BJAE	
CCCC(CCC)N[C@@H](C)c1cc(C)ccc1C	37103440	PQIMRWYNSHVFGX-HNNXBMFYSA-N	247.426	4.923	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(CCC)CNC	71127678	CSZJJAVMBGMRFL-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)c1ccc(C(C)C)cc1	71160355	WEFNOMPHNPGROB-DOTOQJQBSA-N	245.410	4.564	0	10	BJAE	
Cc1ccc(Nc2cccc(Cl)c2)cc1C	82715159	WBAHZGMJUBLXDK-UHFFFAOYSA-N	231.726	4.700	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C)CC2)c(C)c1	86878044	MXPJMZJMVLXDLE-DOMZBBRYSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cccc(F)c2)CC1	86893821	DQDFYWPQHARDEW-TZMCWYRMSA-N	235.346	4.597	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(c2cccc(C)c2)CC1	86939524	RPNQHRHFMCDZHZ-WBVHZDCISA-N	245.410	4.529	0	10	BJAE	
CCN[C@@H](c1ccco1)C1(CC(C)C)CCCC1	94900915	BABVHFMRFZNRDY-HNNXBMFYSA-N	249.398	4.537	0	10	BJAE	
CCC(CC)CNc1ccccc1OCC(C)C	103976459	HRMPJLBUFBTZSG-UHFFFAOYSA-N	249.398	4.570	0	10	BJAE	
C/C=C\C[C@@H](CC)c1cc(C)cc(C)c1	107483145	DCCDTSXMXREAFS-BRLPQQTGSA-N	202.341	4.763	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C(C)C)[C@@H](C)NCC	109669260	SPPXZFKXYNIKJN-OAGGEKHMSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](N[C@H](CC)C(C)C)c1ccccc1	109929028	QMHGKYPHHMHWIA-IAGOWNOFSA-N	247.426	4.942	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H](C)C(C)(C)C)cc1C	111646454	QMQRTDUIIYUABK-CYBMUJFWSA-N	232.367	4.558	0	10	BJAE	
CCC[C@H](N[C@H](C)C(C)(C)C)c1ccccc1	122597623	LKPICSAHXBZKOH-HIFRSBDPSA-N	233.399	4.552	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCCC1CCCCC1	125110885	ZEPVYTDQBDJSJR-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)COc1ccc2[nH]ccc2c1	126505476	BWXVLGSFRCRXPB-ZDUSSCGKSA-N	245.366	4.763	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)c1ccc(C)cc1	148216134	FBMSIHDJJHBIGW-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)c1ccccc1C	148237317	DIHMNUWKPGSTGF-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCc2ccc(C)cc21	163409552	AKKDTMBLFOEYJU-RHSMWYFYSA-N	245.410	4.541	0	10	BJAE	
Cc1cccc(CC(=O)C[C@@H](C)CC(C)(C)C)c1	164091025	OQBAEIDCLLJDJJ-CQSZACIVSA-N	246.394	4.569	0	10	BJAE	
CCC(C)(C)C(=O)C[C@H]1CCCc2ccccc21	164367978	HXSUWSZWYGNGGM-CQSZACIVSA-N	244.378	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1cc(C)ccc1F	165793489	IBOHIJCWCJYPCH-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C[C@@H](C)C(C)(C)C)CC[C@H]1C	166065142	NUZUSIVUHQSETI-RQJABVFESA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CCCC1CCCCC1)C(C)C	203530886	XGPBXJCUVDBDRR-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](OC)C1CCCCCC1	206976242	NSZSBZRAJMVHJI-CQSZACIVSA-N	212.377	4.552	0	10	BJAE	
CCCC(CCC)[C@H](N)c1c(C)cc(C)cc1C	211793667	ORPDSZRVNHBTRI-KRWDZBQOSA-N	247.426	4.828	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](N[C@@H]2CC=CCC2)CC1	226508245	VLDABCXIRHKXBM-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](O)(CC2CCCC2)C1	230785227	KRHFLANZPUAFPI-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(O)CCC[C@H](C)CC2)C1	251548122	AZIVHRSJNBSUQT-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@H](C)CCC	252909216	ZNJUZMGSEBPVRL-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CSc1sc2ccc(Cl)cc2c1S	307503009	WNNJGLRAMBQVLT-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)c1cccc(C)c1C	308005656	CLARMGDUGREVIF-DOTOQJQBSA-N	248.410	4.799	0	10	BJAE	
CCCc1cccc([C@H](O)[C@H](CC)CC(C)C)c1	308037618	VUSWYIPIAPYBKU-NVXWUHKLSA-N	248.410	4.745	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NC)[C@H](C)CC(C)C	308053139	OEANJJKWOBDDEW-OAGGEKHMSA-N	241.463	4.719	0	10	BJAE	
CCC(CC)C(=O)C[C@H](C)C1CCCCC1	310585775	VJYWUPWPCVXCBH-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]([C@H](O)c1ccc(C2CCC2)cc1)C(C)(C)C	310639522	ARWTZTTYNXRBTN-LRDDRELGSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H](C)CC1(CNCC)CCCCCC1	317060528	IDWZSPLGBUTNQD-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCNC[C@@]1(CCCC(C)(C)C)CC[C@@H](C)C1	317252810	LKFINZWIQAWCHX-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC(C)C)CC[C@H](CC)C1	318043639	JJIQOQPGEKPKGY-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC1(CNCC(C)C)CCCCC1	318238649	LHOIXOIIZAHQQD-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)[C@]1(CNC(C)(C)C)CCC[C@H](C)C1	318522472	IGBGVPRTGSNAOW-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC1(C(=O)CC/C=C\c2ccccc2)CCCC1	324214231	XYTGWCURCFFWLP-WZUFQYTHSA-N	242.362	4.629	0	10	BJAE	
CCC[C@H](NC[C@H]1CC(C)=C[C@H](C)C1)C1CCC1	324628146	DZRQYYOIBCMVBT-LXZKKBNFSA-N	249.442	4.537	0	10	BJAE	
CCc1cccc(C)c1NCc1csc(C)c1	328569584	QPXBVHSEDZPGLL-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1cc(C)cs1	379208706	MOKQSISGDNAVSP-GFCCVEGCSA-N	238.396	4.846	0	10	BJAE	
CCCC[C@@H](CC1CCC(C)CC1)NCCC	380099347	WXWKUPGGBDLSPG-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1C[C@H](C)c2ccccc21	381169549	KKCLLAXZJYHAPE-GRDNDAEWSA-N	245.410	4.793	0	10	BJAE	
Cc1cn(CCCCCC(C)C)c(C)c1C	383198934	YOBVVWVXCLVTMA-UHFFFAOYSA-N	221.388	4.630	0	10	BJAE	
CCC1(CC(=O)c2ccccc2SC)CCC1	383515096	HGYXCNYRYFAMFL-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCN[C@H]1CCC[C@H](CC2(C)CCCC2)C1	383620535	VBRHGLAKHZSAOS-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](NC[C@@H]1C[C@H]1CC)c1ccccc1	387772536	CALNCCVGBGFXAX-PVAVHDDUSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@H]1[C@@H](CCCC)[C@]1(F)Cl	388304120	VLAXHOFOBNXSHN-JGPRNRPPSA-N	206.732	4.517	0	10	BJAE	
CCc1c(SC)cc2ccsc2c1CC	396179915	YFCXYUWOERZHOY-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cc2sccc2c(CC)c1CC	396210581	ZWQQXUMWVYLULC-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CCC[C@H](Nc1ccc(F)c(C)c1)[C@H]1CC1(C)C	397772087	NBDRKVMHPLFHNZ-HIFRSBDPSA-N	249.373	4.761	0	10	BJAE	
C[C@H](C[C@H](N)[C@H](C)C(C)(C)C)C1CCCCC1	399139159	SWQQFBRMTJUFON-IPYPFGDCSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC1([C@H](O)CCCC2CC2)CCCC1	405974945	GSZQFJYCHSNBSU-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCCCc1ccc(N[C@@H](C)C(C)(C)C)cc1	687711356	QUUNPZSTQSBZKC-ZDUSSCGKSA-N	233.399	4.876	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@@H]1CCCC2(CC2)C1	688388362	HUJZSVQAECHKSO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H]1N[C@H]1CCCCC[C@H]1CC	691161701	BJYQDDNQHMANSW-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCC[C@H](O)c1cccc(C(C)(C)C)c1	691701539	STKCMRVZYPLMMN-INIZCTEOSA-N	248.410	4.844	0	10	BJAE	
CCC[C@@H](NCC1CCC2(CC1)CC2)C1CCC1	695726492	AJQZPNZJVSXBBA-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](CNC(C)C)CC(C)C	696676804	FYKOGGACJPLAOJ-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CC(C)=CCC[C@H](O)c1ccc2ccccc2c1	697604020	HKOXNXLXNTVJTL-KRWDZBQOSA-N	240.346	4.620	0	10	BJAE	
CCC(C)(CC)C(=O)c1cc(Cl)ccc1C	701389450	MVHSJKGZLGSDOF-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
NC1(C2CCCCCC2)CCC(C2CCC2)CC1	704467098	VIWKEPJEEINKSJ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@](N)(CCCC(C)(C)C)[C@@H]1CC1(C)C	704473352	JPQOPERLXUYHES-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)([C@@H]1CC[C@H](C)[C@H](C)C1)C(C)(C)C	704909673	BANXLOBSQWELOE-NHIYQJMISA-N	239.447	4.602	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]3CCC[C@H]32)CCCCCC1	707781724	YFXWNXUMWFRCLM-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CC[C@@H]2CCN[C@H]3CCCC[C@@H]32)CC1	709026263	ZNBFPNFAYWIFDQ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@H](C)CC(C)C	709179539	WEHQHVYJRNZBTJ-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1C[C@H](C(=O)[C@H](C)CC(C)(C)C)CC[C@H]1C	709262372	OGIADNOCUGCIOR-XJFOESAGSA-N	238.415	4.700	0	10	BJAE	
CCCc1cccc(C(=O)[C@H](C)CC(C)(C)C)c1	709278931	ZYCVSDIMQMGGKQ-CYBMUJFWSA-N	246.394	4.894	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@H]2CC3CCC2CC3)C1	709451663	ZLIGFAUBBIQVJN-OPKDVZQQSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C12CCC(CC1)CC2	710306688	RDJWKLRSLHMYOQ-HLIUYOAVSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2csc(C)c2)CC1	710758103	JIDTWWXFJCYOHE-STQMWFEESA-N	237.412	4.827	0	10	BJAE	
CC[C@@H](CC(=O)c1ccsc1C)C(C)(C)C	711174784	DXBZWLMUIUUXFH-NSHDSACASA-N	238.396	4.702	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)CCc1ccccc1C	711305362	ZVEDUXWKWOMNGV-INIZCTEOSA-N	248.410	4.505	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CC(C)(C)CC[C@H]1C	713064132	HQSKLBBOSDRUHB-DOMZBBRYSA-N	249.373	4.761	0	10	BJAE	
CCC(C)(C)C/C(C)=C/CCNC(C)(C)C	713137634	YYBQYZVCVSPUEA-JLHYYAGUSA-N	225.420	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccccc1C(C)(C)C	713208210	FBHBWZWLKJBVEL-HNNXBMFYSA-N	248.410	4.844	0	10	BJAE	
C/C=C/C[C@H](CC)c1ccc(OC)cc1Cl	714551335	BMNDQGIFBBTPGE-MALLOTDXSA-N	238.758	4.808	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cscc1C(F)F	717181135	VGYFQRHXMVRSDH-GZMMTYOYSA-N	248.338	4.545	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)c1ccccc1	718510461	AAPFHVMBDCMJGJ-KRWDZBQOSA-N	245.410	4.864	0	10	BJAE	
Oc1cc(-c2cccc(C3CC3)c2)ccc1Cl	1243577752	DSXBUGWQCZKWTJ-UHFFFAOYSA-N	244.721	4.590	0	10	BJAE	
Clc1ccc(SCCC2CC2)cc1Cl	1307307885	AFIMXMWGZSHPEA-UHFFFAOYSA-N	247.190	4.886	0	10	BJAE	
CC(C)=CCC/C(C)=C(\C)CC/C(C)=C/CO	1535405654	KSCZUNTYFHOHMT-LPVXAABHSA-N	236.399	4.788	0	10	BJAE	
C=C/C=C\CCN(CC(C)C)c1ccc(C)cc1	1559921090	FSAFEZAPUIBHGT-SREVYHEPSA-N	243.394	4.590	0	10	BJAE	
CCN(Cc1cccc(C(C)(C)C)c1)C(C)(C)C	1643221087	ZZMOTAYKZBYORY-UHFFFAOYSA-N	247.426	4.605	0	10	BJAE	
C[C@@H](CCc1ccccc1)SCC(C)(C)C	1652834835	BCSJLKYHPGUVSE-ZDUSSCGKSA-N	236.424	4.787	0	10	BJAE	
CCC(CC)c1c(C)ccc(Cl)c1F	1889481610	WJADMBMWBGCRPM-UHFFFAOYSA-N	214.711	4.691	0	10	BJAE	
CCCCCCc1cccc(CC2CC2)c1	1901882677	JOCAFWHZQSEWHU-UHFFFAOYSA-N	216.368	4.762	0	10	BJAE	
CCCCC(=O)CCCCC1=CCCCC1	1901967019	PYRWHFHIHHBNNB-UHFFFAOYSA-N	222.372	4.807	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C(C(C)C)C(C)C	1905318429	DBVCTIJOYDEHLV-CYBMUJFWSA-N	226.404	4.700	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCC(C)(C)C1=O	1905346435	LSYUBZLVSZVYFE-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNC1CCCCCCCC1	1908573622	XCEBPVZEIQVQTN-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C=CC=CCCNc1ccc(Cl)c(Cl)c1	1911780430	DVLYTLFUSRIBSV-UHFFFAOYSA-N	242.149	4.538	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H]1CC[C@@H](CC)C1	1911962318	GPMYPHIXXRTZAZ-ZACQAIPSSA-N	249.442	4.703	0	10	BJAE	
C=CC=CCCN[C@@H](C)c1ccc(C(C)C)cc1	1912053176	QJQAIMCTPUHGAB-HNNXBMFYSA-N	243.394	4.593	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C2CC3(CCCC3)C2)C1	1912645595	LEKCQPAMEZNOQK-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CCC)Nc1ccnc(C2CC2)c1	1913023854	YVNVWSXTKJCXOK-CQSZACIVSA-N	246.398	4.730	0	10	BJAE	
c1ccc(N[C@H]2CCC3(CCCCC3)C2)cc1	1915907963	KGEGKQJYGIUIQB-HNNXBMFYSA-N	229.367	4.602	0	10	BJAE	
C[C@@H](N[C@H]1CCC2(CCCC2)C1)c1cccs1	1916424838	YMUUNOZGOBRTIB-OLZOCXBDSA-N	249.423	4.512	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@H]1CCC2(CCCC2)C1	1916443555	YRQNYOTVSWVROM-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC[C@](O)(c1ccc(C)cc1)[C@H](C)CCC(C)C	1919892604	IEUHHSWETZNQSZ-NVXWUHKLSA-N	248.410	4.665	0	10	BJAE	
CCCCCC[C@@](O)(CC(C)C)c1ccccc1	1920023893	BZLVQFXEXHGAEQ-QGZVFWFLSA-N	248.410	4.891	0	10	BJAE	
CCC[C@@H](C)CC1(CNC(C)C)CC(CC)C1	1921106652	FKOPJZGBBHFIQQ-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC[C@H]1CC1(C)C	1921561238	GDQKEGWFAJUZII-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CCCC12CCC2	1921595212	MLGPHBGTEMRVSC-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](NC[C@H]2C=CCCCC2)CC(C)(C)C1	1925832829	HERROTUDLNTVEX-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NC[C@@H]1C=CCCCC1)C1CCCCCC1	1925942452	JEUHEHSQCKUORD-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C=CCCCC1)C(C)C	1925944391	DKVQSNDMVZRIJK-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](N)c1cc(Cl)sc1C	1933602748	OIGMMAPGWAXKIA-LLVKDONJSA-N	245.819	4.680	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCC[C@H](C)CC1	1939904611	YOOCDTFZMYWGMN-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCCC2(C)CC2)CC1	1940873883	CUWPQMPPOAALFT-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H]([C@@H](CCC)C(C)C)C(C)(C)CC	1941274209	YFMRYWZXYUYOFF-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)C1(C)CCC1	1941588004	XWTKULRBWFVDKX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1CCCC1CC1	1941687929	QDFVZKCBVRJGIP-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@H](CC1CCC=CCC1)NCC	1941795382	KOCQHVIBIXHIQA-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CN[C@@H](C)C(C(C)C)C(C)C)C(C)C	1941928635	ILSFBBDTPYXMSD-GJZGRUSLSA-N	241.463	4.575	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C1(C)CC(C)(C)C1	1941989877	ROFRRLJZICQOKY-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)C)C(C)(C)C1CCCC1	1944640395	FCLIZXYKXORSEU-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCC[C@@H]1C)C1CCCC1	1944854249	XFZHDSODNWPRPV-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CNCCC1=CCCCCC(C)C	1944861083	NDIVXSKIHZXKBO-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(O)CCCCCCC1(F)F	1947291037	ZMHIFMJIBOMWFJ-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC[C@@H]2C(C)C)c1	1947459658	CCIBPALIMLYNGY-HZPDHXFCSA-N	231.383	4.540	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCCC[C@@H]1CC	1947466565	JUFFNPFLRFGLCV-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CCC1CCCCC1	1947469586	RBBSMIQTTOPBRC-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)C[C@H]1C=CCCC1	1947589784	XVCQHERJWXADBA-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCCC)C1CC(C)C1	1948155071	IFCHJOSHBOBBAR-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@@H](C)CCC(C)(C)C	1948327192	NFANGYMECWWLFW-KKUMJFAQSA-N	241.463	4.862	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C2=CCCCCCC2)CC1	1948952102	SIOQYROKTCRLAH-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CCC1(C[C@](C)(N)C(C(C)C)C(C)C)CCC1	1948980902	FGEXYFFPBXHMLU-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CN[C@H]1C[C@@H](CCC(C)=C(C)C)CCC1(C)C	1949652888	GPYWYQAQOQPRHO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CC1CC2(CCC2)C1	1949856463	BILQHEIVOSPDDL-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@]1(CNCC)CCCC(C)(C)CC1	1950922507	OLKMGKLJKOVOHM-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H]2C[C@@H]3CCCC[C@@H]3C2)C1	1966045851	LAXDDIDGDHENBH-ZOFXXKQRSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(NCC2C[C@H](C)C[C@@H](C)C2)c1	1968307157	FFHSNAUOYIXWDT-CHWSQXEVSA-N	245.410	4.788	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCCC3(CCC3)C2)c1	1968341467	MPALVBDNNNXNAC-ZDUSSCGKSA-N	247.357	4.659	0	10	BJAE	
Cc1ccc(OCC2CC(C(C)(C)C)C2)c(C)c1	1968396407	LCVUPYSLICJEDI-UHFFFAOYSA-N	246.394	4.755	0	10	BJAE	
Cc1c(F)cccc1N[C@@H](C)CCCC(C)C	1968648277	MOIKCDOGTRWPIL-LBPRGKRZSA-N	237.362	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCCC3(CCC3)C2)C1	1970281393	NHJQSWZQALGFCT-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCCSc1ccccc1N[C@@H](C)C(C)C	1975964820	JSENXACYPRIVEJ-LBPRGKRZSA-N	237.412	4.645	0	10	BJAE	
CC(C)c1csc([C@H]2CCC[C@H](C)CC2)n1	1976348572	CZERRSJZJJMWLX-RYUDHWBXSA-N	237.412	4.950	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H]1CCCCCCC1=O	1980342272	QVHVEHOWTKRUKL-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(CC)C[C@@H](O)c1ccc(Cl)cc1	1980679719	BVVDWYTUNIVHRA-CYBMUJFWSA-N	240.774	4.590	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCCC1(C)C	1990093259	JBKKBZYPXVZXJA-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc(Cl)c(O[C@@H]2C=CCCCC2)c1	1990987593	OAXQETNYDDTCAB-GFCCVEGCSA-N	236.742	4.526	0	10	BJAE	
CCCCC[C@H](N)C[C@H]1CCCC(C)(C)C1	1994026837	UOFFIKPIPYFKIG-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1C[C@H]1CC	1995213957	IDBMEDGFCHJUQG-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CC[C@H](C)C2)c1	1996219695	QQEUSTMGMGWSRB-UONOGXRCSA-N	231.383	4.658	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@](C)(N)CC2CCCCC2)C1	1996250573	QFCPJXDPLNQUNQ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CC1CCC1)C1CCC(C)(C)CC1	1996549727	WGUHNPJEOVYEAZ-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
Cc1csc(CNc2cccc(C(C)C)c2)c1	1996648995	JCBIHDFJYAGGAJ-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2CC=CC2)CC1	1997118051	VGUNUMYYRFABIW-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@@H]1C=CCCC1	1998376630	FBYUGCAJHYLEFF-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC([C@@](C)(O)CCC2CCCCC2)C1	1998647099	ZNGQIQQQKSRZTJ-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@H](NCC)[C@H](C)[C@H](C)CC)CCC1	2000376192	KSRZMUXSBGSCGW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CN)[C@@H]1CCC[C@H](CC)C1	2000503225	VEOMUYBKFFXRAU-ARFHVFGLSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@@H](C)C1CCC1	2000503995	CVNRKZQHXGWMLT-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)C[C@H](C)CCC	2000513221	KHPMEKKPGOPEIF-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1[C@H]2CCCCC[C@H]21	2002164551	HCDAVTDVQDBDCC-JONQDZQNSA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CCNC[C@@H]1CCCC(C)(C)C1	2003028714	XURPFSKXRGRURQ-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
C[C@H](CC(C)(C)C)NC1CCCCCCCC1	2003096624	YVMWHGAJVYQMFC-CQSZACIVSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CCCCCC[C@@H]2O)C1	2003101729	YGWIFKBCBNYCFX-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC(=O)c1ccc(C(C)(C)C)cc1	2004196332	GESLUUFADHSPSB-UHFFFAOYSA-N	230.351	4.523	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C1CCC(C)(C)CC1	2004234381	PVUUEZIXZWMYBV-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CCCCC12CC2	2005545674	MOKJKDOCPJBDKO-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCC1CCC(Nc2ccc(CF)cc2)CC1	2007029655	XUSOAOIGXMSITB-UHFFFAOYSA-N	235.346	4.537	0	10	BJAE	
CCCN[C@@H](CC(C)C)C1(C)CCC(C)CC1	2007692253	OUTNNLXQORBHQT-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](NC)[C@@H]1CC	2009233617	DSJHUDQQJATHCX-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](N)[C@@H](CCC2CCCCC2)CC1	2009417345	ASTLEPBKLCEJIF-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@]1(O)CCCC[C@@H]1C(C)(C)C	2009592879	LZAFXJYBEKGZAM-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@]1(CNC(C)C)CC[C@H](C)C1	2009619925	POMWODYISWWVOH-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N)(CCCC(C)(C)C)C1	2009785492	GGRVYCCPHNIQNZ-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
C=C=CCCC[C@H](NCC)c1ccc(Cl)cc1	2010987677	IPKMIODALYKOEJ-HNNXBMFYSA-N	249.785	4.502	0	10	BJAE	
CC[C@](CCCCCC(C)C)(CNC)C(C)C	2012420512	CBUFNUHPNKUNLW-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCCC=CCNc1ccc(C(C)(F)F)cc1	2012749938	SBYRYFOEJVDVRW-UHFFFAOYSA-N	239.309	4.567	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC12CCC(CC1)C2	2012810607	RDULRJLMLCILDJ-FYRZTWFESA-N	237.431	4.501	0	10	BJAE	
CC(C)N(C)C1CCC2(CCCCCC2)CC1	2013224572	INCANOVMSKBKKC-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@H](C)[C@@H](C)C1	2013264703	PCIRKIADGZVTJC-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CC(C)NC[C@]1(CCC(C)(C)C)CCC1(C)C	2014849091	KQPIAPLOZDCSJY-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CC1(CC)CCC1	2015596655	SSJZBFCFFDHGSY-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@](C)(O)[C@@H]2CCC2(C)C)CCC1	2015644614	ORTQBNKPFPYCNP-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CC2(N)CCCCCCC2)CCC1	2015645966	WDNWJBNCGYVOSV-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CC[C@H](CNc1ccc2sccc2c1)C(C)C	2016107906	ZXGFPEGLSVVJCK-GFCCVEGCSA-N	247.407	4.995	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@@H]1CCCCCCCCC1=O	2016425330	WASNAXMBMCNMBV-IJEWVQPXSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CCC(C)(C)C1	2017485083	CBZFURZDFPVSFO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(CC(C)(C)CNCC)CC1	2017728296	JXZYODXOABFKFY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CCC[C@H]1CC[C@H](CC)CC1)NC	2017733611	MDPASQJSKSQUFE-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC)NCC(C)(C)C(C)(F)F	2018139498	SGHUDLMADAEVES-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCCN(CCCC)[C@@H]1C=CCCCCC1	2019117140	FXKPWDKVMISGDT-MRXNPFEDSA-N	237.431	4.778	0	10	BJAE	
C[C@@H](CCC1CCCCC1)[C@H]1CC[C@@H](N)CC1	2023548842	BVUNJEIBLDPGRQ-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2CC=CCC2)C1	2024102427	SIDWCOQXLJOTNU-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
c1sc([C@@H]2C[C@@H]3C[C@@H]3C2)nc1C1CCCCC1	2026597313	LAYKYIPBRJVARG-ITGUQSILSA-N	247.407	4.704	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1c(C)c(C)cc(C)c1C	2028252697	QGBQPLXITYHULO-RDJZCZTQSA-N	247.426	4.602	0	10	BJAE	
CCc1ccccc1[C@@H](O)CCCCCC1CC1	2028618942	MCWHXTNPYJLSHG-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CC(C)NCC1(C[C@@H]2C=CCC2)CCCCCC1	2035588719	GWKUHBWNSAUDJY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC)(C[C@H]2C=CCCC2)C1	2035601443	PBWUEJIXIVPTNO-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCCC12CCC2)C1CCC1	2035887442	UWRDGJZXTRUJEI-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
Fc1ccc2[nH]c3c(c2c1)CCCCCCCC3	2035887826	FVOOYVICMZMUQT-UHFFFAOYSA-N	245.341	4.746	0	10	BJAE	
N[C@@H](CCCC1CCC1)c1ccccc1C1CC1	2037139395	CLSCLFLMFRZQSH-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CCC2=CCCCC2)C1	2037173069	XUQWQLVMFGUCMX-USXIJHARSA-N	249.442	4.811	0	10	BJAE	
CC1(CCCC2(N)CCC(C3CCC3)CC2)CC1	2037178626	XBLOBKQQTMWUTO-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@H]1CCC12CCC2	2037396497	ICMMIKJVPNFQDP-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CCc3ccccc3N2)C1	2037699955	TYRGGSNFAZWXQE-DZGCQCFKSA-N	243.394	4.630	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H]1CNC2(CCCCC2)C1	2037723541	HAGDSTMDCWVBDC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCCC1)C[C@@H]1CCC2(CCCC2)C1	2038108097	PAWRBQKDXWEHMY-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C[C@H](CC[C@](C)(O)c1ccccc1)CC(C)(C)C	2038173415	CUGGVWGYOVNXGT-PBHICJAKSA-N	248.410	4.747	0	10	BJAE	
CC(C)(CC[C@@H](N)CC12CCC(CC1)C2)C1CC1	2039414450	BKTIOODBZGXIAJ-GNHJJJEISA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1CCCCC1)CC12CCC(CC1)C2	2039415285	KBFFCWYNFQMWNP-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)CC23CCC(CC2)C3)C1	2039420851	NZLQSLWXCYRHSY-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2C(C)=CCC[C@H]2C)C1	2039453728	VAVOPLXIMMSMKQ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2CCCC3(CCC3)C2)CC1	2041289833	LONRMXZLCSITLQ-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC2CC3(CC3)C2)CC1	2041379762	NHLGIHKVDCTPSR-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1ccccc1C1CC1	2042275621	RXIAXOPPHBVKDH-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CC(C)(C)C1CC([C@H](N)C[C@H]2C=CCCCC2)C1	2042998517	RAABDSVWRRLBDG-SLTXQBBLSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2CCC=CCCC2)C1	2045318309	UJVSUAKOQWYPIT-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1C[C@@H]1CCC=CCCC1	2045329680	PYCQAZWMHAIAKD-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)C1(CCC)CCC1	2045813085	MYAPCJVDXIOXPR-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)C[C@H]1C=CCC1	2045985361	XCRPMPPYBBKOHV-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2CC23CCCC3)CC1	2047066190	TYRIVSGGPWXLCZ-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C=Cc1cccc(Cl)c1OCc1ccccc1	2049393251	VYXVANURQADMFR-UHFFFAOYSA-N	244.721	4.562	0	10	BJAE	
C[C@H](Nc1ccc(F)cc1)[C@H]1CCCC(C)(C)C1	2049527602	DCDYDUOIZSPAEF-STQMWFEESA-N	249.373	4.843	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC[C@@H]1C[C@H]1C1CC1	2049645923	STSNBICGKPGDES-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
C[C@@]1(CNC2CCCCCCCC2)C=CCCC1	2049678269	KVAOXRBXYSZCNX-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCC1CCC([C@@H](C)NC[C@@]2(C)C=CCC2)CC1	2049978157	BPWSWAQTKJIAFS-VXLLPVPCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@@H](C)C1)[C@@]1(C)C=CCC1	2050009685	ZDQNVUVLTNAXHV-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
C[C@]1([C@H](O)C[C@H]2CCC=CCCC2)C=CCCC1	2050010726	WHDPTRCMRMRSDX-BBWFWOEESA-N	248.410	4.620	0	10	BJAE	
c1cc(N[C@@H]2CCC[C@H]3CC[C@H]32)cc(C2CC2)c1	2052286299	ILOJOSBIQBTPJD-IAOVAPTHSA-N	241.378	4.555	0	10	BJAE	
CC1(CN[C@@H]2C[C@@H]3CC[C@@H]3C2)CCCCCCC1	2052502632	LJALMLWZARVVMP-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
CC1(CN[C@H]2C[C@H]3CC[C@H]2C3)CCCCCCC1	2052504875	LXNLFPICBMAAOH-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC12CC2)C1(C)CCCCC1	2053324627	FIYGTAMHGYKEHW-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC=C[C@H]1NC1CCCCCCCC1	2055536911	QVFKRWJTKSRZFN-MRXNPFEDSA-N	249.442	4.824	0	10	BJAE	
CC1=C(C)[C@@H](NC[C@@H](C)C2CCCCC2)CCC1	2055551817	JIFCUKPCOSKCBK-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1CN[C@@H]1C=CCCCCC1	2056486280	ZOYWYGSNIRZOPH-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2059266275	DUDBEYXDWAAXTQ-YVYQEZPWSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@H]1NCC[C@]12CCCC21CCCCC1	2059463990	MIIAOMJEDMVBKT-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CC=C([C@@]2(O)CCCCC23CCCC3)CC1	2060918386	MTOBTPJCEOQXHK-YOEHRIQHSA-N	248.410	4.598	0	10	BJAE	
CC1([C@H](N)C2=CC[C@H](C(C)(C)C)CC2)CCCC1	2061095062	KOPIKDMHBWTXPU-LSDHHAIUSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)C1=CC[C@@H](C(C)C)CC1	2061147469	OCSPOZGLLHBYLE-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC1CC(=C2CC2)C1	2061737021	MUDAPVFDCJDCJD-WBVHZDCISA-N	249.442	4.667	0	10	BJAE	
CCCNC[C@]1(CCC[C@H]2C[C@@H]2C)CC=CCC1	2062646971	PZAGAMLCOUPFLZ-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC1(C)C)c1occc1C	2063677925	MPNLREPWNDDYIK-KBPBESRZSA-N	249.398	4.598	0	10	BJAE	
CC1(C)CCC(C[C@@](C)(N)C2CC3(CC3)C2)CC1	2064487886	DAFLBEOIDFHCFC-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CC[C@H]3C[C@@H]2C3)CC1	2069355251	ZTZDFROOIYYVIR-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@@]23CCC[C@@H]2C3)cc1	2070789358	KMMRTUXYPDIXAY-PBHICJAKSA-N	243.394	4.586	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C[C@@]23CCC[C@H]2C3)CC1	2070926319	MFLBZINIWWXHGL-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1(C(C)(C)C)CCC1)[C@]1(C)C=CCC1	2071939606	BOMGAMNSPFGWBW-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)C2(C(C)(C)C)CCC2)c1	2071968822	KYTFNMIRGITYCT-OAHLLOKOSA-N	246.394	4.553	0	10	BJAE	
CN[C@H](CC[C@@H]1C[C@@H]1C)C[C@H]1CCC=CCCC1	2072083390	PRMGNXHZWUDREM-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2072704201	JTMPDJJZDSMFTA-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
C=C=CC[C@H](C[C@H]1CC[C@H](CC)CC1)NCCC	2072795394	DDMKOTWJFKGCHE-BRWVUGGUSA-N	249.442	4.692	0	10	BJAE	
CCC1CCC(C[C@@]2(CN)CC=CC[C@@H]2C)CC1	2072799138	PNGXPNGKOULPBA-ZGRYLRDCSA-N	249.442	4.524	0	10	BJAE	
CCC1CCC(C[C@@H](NC)[C@H]2C=CCCC2)CC1	2072801422	NVHHJVOFTHGRER-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C[C@H]2CC(C)(C)CN2)CC1	2072808213	DOIIOGKSEURDEB-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CCC12CCC(C)CC2	2074898368	CAYQULDQSAXHBT-YZUHTNEWSA-N	249.442	4.610	0	10	BJAE	
CC1CCC(N2CCCC23CCCCCC3)CC1	2075119813	QLWWSGKONYFLOE-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)C1CCC1)c1ccccc1	2075729315	OKQBKSCRKOAZAL-PBHICJAKSA-N	246.394	4.501	0	10	BJAE	
CCCN[C@H](C1CCC1)[C@@]12CCCC[C@H]1CCC2	2075851293	CESJTHZUBWCPQC-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1[C@@H](CC2=CCCC2)CCCC1(C)C	2076407229	ODYVJEYJQBTNSZ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H]2CCCC(C)(C)C2=O)CC1	2076444801	WTPVKHAVHQDHNB-HIFRSBDPSA-N	248.410	4.764	0	10	BJAE	
N[C@@H](C[C@H]1C[C@@H]1C1CCC1)C1CCCCCCC1	2079292920	APCHAYZDDBVXCJ-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CNc1ccc(C(C)(C)C)cc1	2079622110	ZJLFREVXRINXHY-XJKSGUPXSA-N	245.410	4.688	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1N(C)CCC1=CCCCC1	2081139408	CGRUQDFMOSMBLN-HLLBOEOZSA-N	249.442	4.633	0	10	BJAE	
CCc1cccc2cc([C@@]34CCCC[C@@H]3C4)[nH]c12	2083314565	JZZQZLRGAKQPIM-RHSMWYFYSA-N	239.362	4.562	0	10	BJAE	
CCC(CC)CCNCCCCCCC1CC1	2213575274	DNOYLGXJXWPLAM-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC1(CC)CCN1CCCCCCC1CC1	2213582079	DIILSUUJYWIORH-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
C=C=CCC[C@@H](NCCC)c1scc(C)c1C	2213657153	VLUFWWCIEJOJJG-CQSZACIVSA-N	249.423	4.527	0	10	BJAE	
CC1CCC(C)([C@H](N)CCCCC2CC2)CC1	2214581737	LKDNEVFYOFQSEY-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
CC1CCC([C@](C)(N)CCCCC2CC2)CC1	2214582479	PFEBZRCSWJGYNU-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CCCCC1CC1)C1CCCCCCC1	2214584913	SCGZPWFGRVFJTE-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC(C)(C)[C@@H](CC1(C)CC(C)(C)C1)NC	2215399828	ZRIPJOAPMJBLKB-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1NCCCCC(F)F	2216467824	JSOMHPZLCSJTSI-UHFFFAOYSA-N	241.325	4.657	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(C(C)C)C1CCCCC1	2217143067	YVONROIWSPAISG-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)[C@@H]1C=CCCC1	2218731284	MLFXQEWEXNSZLG-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C(=O)CC2(C)CC(C)(C)C2)c1F	2221088452	OLBBFWFQSAFVIL-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC1=CC[C@@](C)(NCC2CCCCCCC2)CC1	2221601364	NEYYCNFYBKXLHA-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@]1(C)CC=C(C)CC1	2221621026	CICZVFXHSFGNAA-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC=C(C)CC2)CC1	2221669217	VRDMWAGFGRBUSQ-ULQDDVLXSA-N	249.442	4.811	0	10	BJAE	
N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CCCCCCCC1CC1	2223130432	MSNQPOPBDINFSS-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC1(CC2(CNC3CCC3)CCC2)CCCCC1	2223546435	BJTSWPSVMJWOKW-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCCC1(CN[C@@H](C)CC)CC2(C1)CC21CC1	2223596122	DCCMGNMBJCBNOK-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)C[C@@H]1CNc2ccccc2C1	2223666343	LIEAYFPQBCZXIU-CABCVRRESA-N	245.410	4.733	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CCCCCC1CC1	2244800269	GEKQIKWPVLCVHB-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@@H]1CCCCC12CC2	2246614309	JPQHMVYZXIALJZ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CCCCC12CC2)NC	2246620925	RBDHYKSDISOOTG-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CCCC[C@@H]1C[C@H]1C	2247119063	JKKAQFIXNQGHPT-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@@H](C)C(C)(C)C	2247457432	ROFQJPLNTUTKOU-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C(F)F)[C@H](C)CC	2250115835	WIOKILDUPAXYHL-UPJWGTAASA-N	249.389	4.615	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@H]1CCCCN1	2250468492	DRODNMPEEQJFJH-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(N)CC(C)(C)C1	2250473544	DVNREAVJEOSNOR-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C)[C@H](C)CC[C@H](C)CCCC(C)C	2250478894	NIRUXTNGJGMMDU-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)CCNCC[C@H](C)CCCC(C)C	2250528820	OFAMGGADQWNNPW-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CC1(CC[C@H](N)CC[C@@H]2CCCCC23CC3)CC1	2253783739	NOCQTGVCEQGLBU-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCC1CC(C[C@@H](N)C[C@H]2CCCCC23CC3)C1	2253790077	DZBHDKOLLQGTAH-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@H]1CCCCC12CC2)CC1CCC1	2253837252	DKUDDQQMBBTXCQ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H]1CCc2cccc(C)c2N1	2253875279	QHSIZQQZOUZCOJ-BMFZPTHFSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2(N)C[C@H]3CC[C@@H](C3)C2)C1	2253997862	SDIPJJUFXWGRAL-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2(N)[C@H]3CCC[C@H]2CC3)C1	2254006281	YVNXGZJVGRMPAM-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@H]2CCC23CCC3)C1	2254022315	RSLJGTAFNKOVRV-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)CC1CC2(CCCC2)C1	2254115794	QEXAJRBCJJMIML-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@H]1CCC1(C)C	2254954743	OAEZDFKIHVTMQH-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)CC[C@@H]1CCCC12CC2	2255221255	DXTLEYHPDBKWPG-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC[C@H]2CCCC23CC3)CC1	2255227483	PGCFRYDVGBATNX-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC(C)(CCC(=O)C[C@H]1CCCC12CC2)C1CC1	2255322158	CXFNZYDJIVPAGK-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CC[C@@H]1CCCC12CC2)CC1=CCCCC1	2255328901	KKOPEQWMYURDNC-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H](C)c1ccccc1)NC	2259451017	BLHLWDNMCZQGKW-VYDXJSESSA-N	247.426	4.595	0	10	BJAE	
C1CCCC(CNC[C@]23CCC[C@H]2CC3)CCC1	2260543089	RMXRHCVJEDQYNT-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@]23CCC[C@H]2CC3)CC1	2260583692	QBVIRGXNJDKQAK-XIRDDKMYSA-N	246.394	4.662	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@]23CCC[C@@H]2CC3)CC1	2260653459	YVYFYWHUKLJYBB-CPBWPMLKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](N[C@@H]2CCCC23CC3)C1	2261403878	YCKAGLMWIPFHJL-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2298722993	WSWWDARUHIXUDX-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC1CCC(C)CC1	2300496969	QBLKHTSTBZQEDM-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1cc(C)ccc1C	2300689417	XZWSVZYXXMWCHQ-MRXNPFEDSA-N	234.383	4.553	0	10	BJAE	
CCCC[C@@](C)(CC=C(C)CC)CNC1CC1	2300860069	CKNQXAUIXOOPAH-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C[C@@H](C)C(C)(C)C	2300871111	BUNUBOAFNSJQIV-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1(C)CCCCC1	2300877892	VPTJCJNYJWNQBV-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CC[C@H](N)C1CCC(C(C)C)CC1	2300882037	SQBHZFMXKQPMIW-GPANFISMSA-N	237.431	4.523	0	10	BJAE	
CC[C@H]1CCCN1CC=C(C)CCCC(C)C	2300888228	MUSSILBNKZQNRR-INIZCTEOSA-N	237.431	4.633	0	10	BJAE	
CCC(C)=CCn1ccc2cccc(CC)c21	2300895358	VZNQUDOMEADBIR-UHFFFAOYSA-N	227.351	4.560	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CC1CCCCCC1	2301148764	YQBDTJAVIHMZPQ-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CCCCCC1CC(O)([C@H](C)[C@H](C)C(C)C)C1	2301862562	VOTBCBNSHBKZEP-WXLSXGNJSA-N	240.431	4.636	0	10	BJAE	
COc1ccc(C(C)C)cc1-c1ccsc1C	2302249285	LIXHZGNXANDXBA-UHFFFAOYSA-N	246.375	4.856	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CCC(C)(C)C1)NCC	2302747566	FLJZBBDCBJUGRE-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CCC(C)=C(C)C1	2303585556	WNVMJSRZHIVAOD-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(C)CCC[C@]2(C)O)C1	2304430846	FBHYYHHTWFNAMR-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@@H](C)C1(C)CCCC1	2307747704	SAFHFYKBXGQZNK-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc(C)cc1C	2307896997	ZBGUZMTYIFOJEF-HOCLYGCPSA-N	233.399	4.520	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)[C@@H]1C[C@H]1CCC	2307898007	GTANFRYXMYNAKD-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@H](C)CC(C)C	2307907102	BAOQUZDHLCQIAA-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C[C@@H]1CCC[C@@H]2C[C@H]12	2309963038	QZXZIMQGFMNJKM-LJIGWXMPSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1C[C@@H]2CC[C@H]1C2	2312871423	UIZBLWKDWMPPTR-ILXRZTDVSA-N	243.394	4.658	0	10	BJAE	
N[C@@H]1CCCCCCC[C@@H]1C[C@H]1C[C@@H]2CC[C@H]1C2	2312879786	KBQHQFXJPIVWID-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312960922	ZMTVHAYHQRYVQJ-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@@]12CCC[C@@H]1CC2	2313291226	SFGYPMCSZAUUJR-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]1CCCC[C@@H]1C[C@@]12CCCC[C@@H]1CC2	2313333270	HNGRWKRZIGGBGI-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(N)(CC2CC2)CC2CC2)C1	2315447927	UDZJBVXRPKFOQR-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)C1CC=CC1	2315882440	DWIIDTCOBDBUTF-CQSZACIVSA-N	243.394	4.885	0	10	BJAE	
CCC(C)=CCNC[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2316488593	BYTUSMJJWSYRDL-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@H]2CC[C@H]21)CCCC(C)C	2316537445	QQOBGCHYQPETMV-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](N(C)CCCC1=CCCCC1)C1(C)CCC1	2318594455	GGKVVVSIXXDZJX-OAHLLOKOSA-N	249.442	4.778	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CCC[C@@H]1C[C@@H]1C	2318935065	BZPCTHCODSBTLV-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@](C)(O)c2ccccc2)C1	2319030597	NXYNJBAEHWFCPM-YOEHRIQHSA-N	246.394	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)C[C@@H]1CCC(C)(C)C1	2319122340	SWLFQRMMJLOKRA-CAOSSQGBSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H]1C[C@H](C[C@H]2CCC(C)=C(C)C2)CC[C@H]1C	2320389206	YDRFNAYMFGVWAN-BSWAZPDLSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1	2320412312	NQPCUIYESLXTQB-AIANPOQGSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](C[C@H]1CCC(C)=C(C)C1)NC	2320421844	DLZFPMQKKNSMBV-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC12CC([C@@](C)(N)C3(C)CCCC3)(C1)C2	2321585250	WFMLGBDXBHPOJQ-GTPINHCMSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)c1cc(C)cc(C)c1	2328295672	WOZWIFCCFVXPNI-DOTOQJQBSA-N	247.426	4.694	0	10	BJAE	
CCCCP(=O)(CCCC)C1CCCC1	1756200	BMPAPDDJWFXXRH-UHFFFAOYSA-N	230.332	4.892	0	10	BJAE	
CC[C@@H](Nc1cccc(Cl)c1)c1ccccc1	21515479	RRHUXCNYACNFQA-OAHLLOKOSA-N	245.753	4.903	0	10	BJAE	
CCCN[C@@H](c1ccc(C)s1)[C@H](C)CCC	35573099	JAIQWUVHHWACJU-BXUZGUMPSA-N	239.428	4.533	0	10	BJAE	
CCCOc1ccccc1NC1CCCCCC1	36955434	FUZGKABWHRPMOQ-UHFFFAOYSA-N	247.382	4.610	0	10	BJAE	
CSc1ccccc1N[C@@H](C)c1cccs1	36957402	PTIQTEJWMBVOLG-JTQLQIEISA-N	249.404	4.643	0	10	BJAE	
CCC[C@H](C)CN[C@@H](c1ccccc1)C(C)(C)C	36994495	RMGMBRDWJSEPDB-HOCLYGCPSA-N	247.426	4.800	0	10	BJAE	
CCCCC[C@H](N)c1ccc(Cl)cc1Cl	40933806	YUELQTFUJYFQIO-LBPRGKRZSA-N	246.181	4.574	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1ccc(C)cc1C	68860317	FMZSHBGYLHMNPB-RDJZCZTQSA-N	248.410	4.943	0	10	BJAE	
CCCCCC[C@@H](C)NCc1cccc(C)c1C	70136885	OBWUAXKXXLNDBT-OAHLLOKOSA-N	247.426	4.752	0	10	BJAE	
CCN[C@@H](c1cc(CC)ccc1CC)[C@@H](C)CC	70440823	IYCAEHCHPHWLRI-SUMWQHHRSA-N	247.426	4.508	0	10	BJAE	
c1cc([C@@H]2CCCCCN2)ccc1C1CCCC1	75869009	UKVLZMIPKYDKPY-KRWDZBQOSA-N	243.394	4.549	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCCC(C)(C)C2)C1	79972734	LQTFWVWBSNCVNN-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](C)CNC(C)C	82764032	NZQCNCNNLWBFEO-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@]1(CN)CCC[C@H](CC)C1	83782349	HKEKIDZNXIFARP-GJZGRUSLSA-N	225.420	4.502	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)c1cscc1C	87288782	SAQROXVJIAGKMS-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCC(CC)[C@H](CNC(C)C)c1ccccc1C	94675319	TYXFOYURVYOFFF-KRWDZBQOSA-N	247.426	4.513	0	10	BJAE	
CC[C@@H](C)c1ccc2c(c1)C[C@H](C(C)(C)C)CN2	103926941	YEBFYNYLVYFDAK-DOMZBBRYSA-N	245.410	4.830	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)c1cc(C)c(C)cc1C	109946509	GAVGQYPWEYQJTR-CVEARBPZSA-N	247.426	4.841	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](NC)C(C)(C)CC)cc1	110201651	VKISTXJUMARMIE-CZUORRHYSA-N	247.426	4.897	0	10	BJAE	
CC[C@@H](C)C[C@](C)(O)c1cc2ccccc2s1	127024818	ZDHVUHOUGZZXRI-ABAIWWIYSA-N	248.391	4.545	0	10	BJAE	
Cc1cc(N)ccc1-c1ccc(C2CCC2)cc1	133385589	ZUQAKISICMXMQK-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCC(CC)Nc1cc(C)ccc1C(C)C	166060757	FAOQXICUSGOKJL-UHFFFAOYSA-N	219.372	4.719	0	10	BJAE	
CCCN[C@@H](CC1CCC1)c1ccc(C)cc1C	167148238	BFCKUNNWRPYBFP-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(O)C1CCCCCC1	167670748	PTNBTNAQCLJECD-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H](C)CCC	168033023	UUYBLGAXMWTMSN-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H](C)CC(C)(C)C	168243015	DIRQBWKXWCRCTA-UONOGXRCSA-N	228.420	4.780	0	10	BJAE	
CCCC(CCC)[C@H](O)c1cccc(Cl)c1	168981825	BDSKFKWFZLUMRB-AWEZNQCLSA-N	240.774	4.590	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)c1ccccc1	222124029	NXOFQWATIUDDJY-MRXNPFEDSA-N	247.426	4.975	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC[C@@H](C)CC1	226506957	BGNMKZWBEAMBKW-OWCLPIDISA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@@H]2CCCCC2(C)C)C1	226788633	QCEPDPKJECNZMK-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
Cc1sccc1C(=O)CC1CCCCCC1	227888754	FJNZPLCYHKLWST-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCC[C@H](C(C)C)C1	230998598	CKOZLORYRJPBNA-KBPBESRZSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)c1ccco1	233119530	SFNKXCOEMAOLJJ-INIZCTEOSA-N	247.382	4.601	0	10	BJAE	
CCC[C@H](C)[C@@](C)(O)c1cc2ccccc2s1	233342878	WFFMPIUPIQAJRI-XHDPSFHLSA-N	248.391	4.545	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2c(C)cccc2C)C1	234084812	YCCCSJANHCNRFA-GJZGRUSLSA-N	244.378	4.703	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@@H]1CCCC[C@H]1C	251963073	VXDJJGDSZBLHEK-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCSCc1cc2ccc(Cl)cc2s1	258166470	XXSPQLGEZYBRMR-UHFFFAOYSA-N	242.796	4.808	0	10	BJAE	
CCc1ccc(Cl)cc1C1(C#N)CCCCC1	260781670	ZGASNZASVHLTOZ-UHFFFAOYSA-N	247.769	4.628	0	10	BJAE	
CCCC[C@H](C)C(=O)CCCC(C)(C)C	300889869	HJSAEKVKHJKMPM-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
CN[C@H](c1ccccc1)[C@@H](C)C[C@H](C)CC(C)C	305915719	GTKAFVBGJCIWDV-VYDXJSESSA-N	247.426	4.656	0	10	BJAE	
C[C@H]([C@@H](O)c1cccc(C2CCC2)c1)C(C)(C)C	305952723	AJWBRRXLQMFRMV-MLGOLLRUSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@H](C(C(C)C)C(C)C)[C@@H](C)CCC	306112432	WTUXFUVJLUHQAX-HOCLYGCPSA-N	241.463	4.719	0	10	BJAE	
Cc1ccc(C)c(OCC2CCC(C)CC2)c1	310174538	UVKKSBPWBRJSDF-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CC2(C)CCCC2)C1	310390935	KYVLULBFRTYCBW-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@@H](N)CCC2CCCCC2)CCCC1	310437520	UXDLOPNJKWJXDC-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)([C@@H]2C=CCCCCC2)C1	310698515	BWOHXPSSBVGXSO-BRWVUGGUSA-N	249.442	4.668	0	10	BJAE	
CCC[C@H](N[C@H](CC)c1ccc(C)cc1)C1CC1	310700493	FOEZNKIYOCAJHE-SJORKVTESA-N	245.410	4.614	0	10	BJAE	
Cc1ccc([C@H](O)C[C@H]2CCC[C@@H](C)C2)cc1C	311081016	FXBRRMQBYYNDII-ISTRZQFTSA-N	246.394	4.553	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](NCCCC(C)(C)C)C1	313273740	SPKBHWPAJHBZJY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@](C)(CC)[C@@H]1C=CCCCCC1	318374990	BMEHWTGEVLHKJZ-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCNCC1(CCC2CCCCC2)CCCC1	383126807	OHSNFFFUQPTQQD-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@@H](CC)CCCCCCC(C)C	383347575	CUJQHNSYCXKKQJ-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CN[C@@H]1CC[C@@H](C)C[C@H]1CCCCCC(C)C	383414144	XWHDGCCDILTBPZ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC[C@H](C)c1ccccc1)C(C)(C)C	384738996	KZUJEKZVVAHTRY-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CCN[C@@H](C[C@@H](C)c1ccccc1)CC(C)(C)C	384884673	KMPPXMIAWGQKIS-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNCCC2=CCCCC2)C1	385264984	ZATNAXALIZAUPB-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@H]2C[C@H]2CC)cc1	387820593	RREOXJKAQRCXHH-RMHZUWNSSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H](NCC(CC)(CC)CC)c1ccccc1	391188280	XGFYWMCGQDYCQL-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@H]2C=CCCCCC2)c1	394148046	FSWOGHJHYHUWPZ-WBVHZDCISA-N	243.394	4.535	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)C2CCCCCC2)CC1	394423627	SXXVGRXUJDFPLX-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)c1csc(C)c1	394672589	TXOVRONDIQLLQC-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC1(C)CC(Nc2cc(Cl)ccc2Cl)C1	395295940	NDFZBVRLQXTSGX-UHFFFAOYSA-N	244.165	4.594	0	10	BJAE	
CCc1cccc2sc(SC)c(CC)c12	396175781	BJDVHLKVXSAMPF-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CSc1cc(F)c2ccsc2c1C(F)F	396247045	OYWGYFKEDNKZTC-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
C[C@@H](C(=O)c1csc2ccccc12)C(C)(C)C	399152924	IAHJENHWMLVQPU-JTQLQIEISA-N	246.375	4.766	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)C1(CC)CCCC1	402331697	HYBXQANFNYVFRU-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CC[C@@H]2C[C@H]2C1	403693339	ZPDXCBUBMBLZLF-BPLDGKMQSA-N	236.399	4.598	0	10	BJAE	
Clc1cccc(CC2CC=CC2)c1Cl	606287353	LTRSDTSOJRKSCO-UHFFFAOYSA-N	227.134	4.502	0	10	BJAE	
C[C@H](Nc1ccc(C(C)(C)C)cc1)C(C)(C)C	687792119	MZDZKYOWUHAENM-LBPRGKRZSA-N	233.399	4.831	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)c1occc1C	688417781	FCZXSGGTYUROGP-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC[C@H](Nc1cccc(C2CCC2)c1)[C@H]1C[C@H]1C	690161405	WUOLYAQUCLCPGS-DQYPLSBCSA-N	243.394	4.801	0	10	BJAE	
CC[C@H](N[C@H]1CCC12CCCCC2)[C@H]1CC1(C)C	693813662	JRYHFWXLCRQJAV-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1nsc2ccccc12	695155588	JWFSVZGSAMVQGN-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)CCC2(CC1)CC2	695978836	BWUGMBARJKKLHA-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCC(C)(C)CC	696643349	DJFFNQYJUGQNMO-KBPBESRZSA-N	227.436	4.747	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@@H](C)C1CCCCC1	696680371	YARDGMIYZAUZRN-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCCCC(C)(C)CC)C1CC1	696705548	XJTZSUHPKZOJDO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1CCCC[C@H]1C(C)C	696799306	KDHBFHHVZYLUEX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@H](C)CC(C)(C)C	701069273	LOBMXFZBTKSPAR-QWHCGFSZSA-N	228.420	4.636	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H]2CCC23CCCC3)C1	703213685	GCPYHPPGLZZVJT-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CCCCc1ccc([C@@H](O)[C@H](C)CC(C)C)cc1	704742530	WSVOBFNYCHFDPH-PBHICJAKSA-N	248.410	4.745	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	704926539	LRCVZSFPKQAUPA-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](CCC=C(C)C)C1	704938573	CUEAAVNDNUBBAM-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@H]1CC2CCC1CC2	704942877	SPXYNPGADZHLLM-PYVGIJRLSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)C[C@](C)(N)CC1CCCCC1	707695557	MGCXKMQWWLDGJG-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3CCC[C@@H]32)CC1	707841955	HKNUULDJUAWPPS-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](c1cccc(C)c1C)[C@@H](C)CC(C)(C)C	708315223	GYPLDNASUJCNSZ-XJKSGUPXSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](O)C[C@H](C)CC(C)(C)C)C1	709244803	PWQNJUYBFVKBDU-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CC(C)C)[C@H]1CCCC(C)(C)CC1	710052608	DCQDPFVKZOEGBW-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC1CC1)C[C@H](CC)C(C)(C)C	711066913	HCGUULUVCFPSIL-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@@H]2CCCC[C@H]21	712530289	FBYATXQUJJWEOU-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)c1cc2ccccc2o1	713132519	URDPKKSIAQHOBQ-CYBMUJFWSA-N	245.366	4.505	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1ccc(F)c(F)c1	714546763	NLTWCPFTEDWXHH-MVIFTORASA-N	224.294	4.815	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCC(C)(C)C[C@@H]1NCC	717536801	XBJKAZVQQTUGFS-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCn1ccc2c(C)cccc21	718555478	BNUCNRZLBKFQRX-UHFFFAOYSA-N	227.351	4.696	0	10	BJAE	
CCc1ccccc1NCc1sc(C)cc1C	719418356	GQJPRIQUQQAVLG-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2CCCC23CCC3)c1	1143375535	SRCGZHZHLOOWFO-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
c1csc([C@@H]2CCCN2C2CCCCCC2)c1	1255891312	SMIWDDVOWKRGTC-AWEZNQCLSA-N	249.423	4.608	0	10	BJAE	
C[C@@H]1CC[C@H](Sc2nccc3ccccc23)C1	1473050747	DVXVLFLQKVIORT-YPMHNXCESA-N	243.375	4.516	0	10	BJAE	
C=C/C=C\CCSCc1cc(C)ccc1C	1651810554	UQLCPKPMCYVTNY-WAYWQWQTSA-N	232.392	4.669	0	10	BJAE	
CC1CCC(CNC2CCC3(CCC3)CC2)CC1	1655426838	RGYPXTIRSOWVQU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNC1CCC(C)(C)CC1	1655696134	FZBDTYSAYFLIGU-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@](N)(CC)c1ccsc1	1900713379	OZCBBMVSOIZPGW-CQSZACIVSA-N	239.428	4.529	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC=C(C)CC)C1	1900867051	RBVPBWLUUIEOER-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H](C)[C@H](C)C(C)C	1901707766	GJWCDTMRCHKDQM-VXGBXAGGSA-N	239.790	4.741	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc([C@H]2CCC(C)(C)C2)n1	1905266881	GLRMATYAMWDQPD-OUAUKWLOSA-N	235.396	4.560	0	10	BJAE	
CCC[C@H](CC)CN(CC)CC(CC)CC	1905307370	XUQVFWGZEWTCJF-HNNXBMFYSA-N	227.436	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cc(C)sc1C	1905391163	PRHKINSZZGRBAX-GXTWGEPZSA-N	239.428	4.581	0	10	BJAE	
CCCCCCN[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906539481	SJWBZIUNMUZTRM-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](C1CCCCCC1)C1CC2(CCCC2)C1	1912597651	UTDGYQDNIKURPZ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)[C@](O)(CC(C)C)c1ccccc1	1920026799	IGKXVJABNNEYNX-DOTOQJQBSA-N	248.410	4.603	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CCCC23CCC3)CCCCC1	1921579183	QQIPFXPOBOFPAY-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCCCCC1C[C@@H]2CCC[C@H](C1)N2	1922304995	LUHYENQFNXTAKX-MQVJKMGUSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)C1(C)CCCC1	1925891630	KHSSNGRFVRNRIT-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H]1C=CCCCC1	1925892068	QTHLEUMZEZYCMB-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](N)CC[C@H](CC)CCCC	1933335687	IVQPIWZOBXLGRA-ZIAGYGMSSA-N	213.409	4.501	0	10	BJAE	
CCC(C)(C)CC(=O)CCC[C@@H]1CC1(C)C	1935941263	UEXYRVAFDDGJPS-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCCCC1(N)CCCCCCCCC1	1938721480	FJTOBSBSZZYDRB-UHFFFAOYSA-N	225.420	4.789	0	10	BJAE	
CC1(CCC(=O)c2ccccc2)CCCCC1	1940397358	QVLOVEGHFDAFKN-UHFFFAOYSA-N	230.351	4.620	0	10	BJAE	
CC1(C[C@H](N)C2CCCCCC2)CCCCC1	1940407082	IECDMBDHUUKKJL-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(Cl)ccc1COc1ccccc1C	1940676563	PEHUXVHLOCYPGE-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)CC1CC(C)C1	1940678258	NDYBWWMSNJRRDA-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@](C)(F)c1cccc(N)c1)C(C)(C)C	1940980265	PUNBCSKDNFNSFY-IAQYHMDHSA-N	237.362	4.526	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)CCCC1CCC1	1941465842	RDPWAHWFOXTRDV-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CC1(O)CC(C2CCC2)C1	1942147198	FERRKYXZTLTOHI-JEYLPNPQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@H](C)CCC(C)C	1942665138	VVLWFQBTRSAGTC-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(C[C@H]2CCCCC(=O)C2)C[C@H](C)C1	1944197495	BGDNCZWLBRGTRX-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CCCCCC1(C)C	1944833779	UMCSVBUFWDKVAG-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC(C)(C)C2CCCCC2)C1	1945382497	OVSJHQLSIRLPDB-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCC1([C@@H](O)c2csc3ccccc23)CCC1	1945625231	MYHKJTGUBPBHFI-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@@H]1C=CCCC1	1947589785	XVCQHERJWXADBA-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)c1csc(-c2c(C)cccc2C)n1	1948274771	LYGSIUGXWOFGPF-JTQLQIEISA-N	245.391	4.940	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CCC[C@H](C)CC2)CCC1	1950929276	GDXDQIBPXHOWKR-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1)C1CCCCC1	1968259706	KUMBWNNLQZAISS-INIZCTEOSA-N	231.383	4.766	0	10	BJAE	
CC(C)CCN(CCC(C)C)C[C@@H](C)C(C)C	1968282352	GJBNVRMFXMFIQC-MRXNPFEDSA-N	241.463	4.673	0	10	BJAE	
CCCC1CCC([C@H](C)N[C@H](C)CCC)CC1	1968898586	DHGRWQFEBSERGF-QVOMUQBLSA-N	239.447	4.760	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CCCCC2)C1)C1CCC1	1969750841	ZXPKUGXOHSAGNG-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC1(CC[C@@H](O)c2cccs2)CCCCC1	1980696379	QIBRQYXVSJIQQU-GFCCVEGCSA-N	238.396	4.532	0	10	BJAE	
CC(F)(F)CCCCCC(=O)c1cccs1	1993603123	QCDINGBSJVBZEW-UHFFFAOYSA-N	246.322	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CCC(C)C)NC	1995258426	DNRDSNKWFWEOOR-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1cc(C)cs1	1995261001	AGKYVWPPJJLMFM-AAEUAGOBSA-N	239.428	4.663	0	10	BJAE	
CC(C)C(O)(C[C@H]1CCC=CCCC1)C(C)C	2000000585	DMFBLAIJYMNDSH-HNNXBMFYSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)[C@H]1CCCC(C)(C)C1	2000149820	MCERJDILLRDNMU-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C1=CCCCCC1	2000315630	NEQXOVYDEUUICY-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CC)C1CC2(CCCCCC2)C1	2000669595	JKOMQUUEVQNDBC-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)C1CC(C(C)(C)C)C1	2002306387	NNAZOKHSCBDFQJ-XSCHDIRWSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC([C@@](C)(O)[C@@H](C)C(C)C)CC1	2002926293	ZUZFDHINEDILOD-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@H]1CCCC(C)(C)C1	2002993787	NRWYXZCCRQXRAQ-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CN(C1CCCCCCCC1)C1CCCCC1	2003167474	NYFZJVNJDMUQPU-UHFFFAOYSA-N	237.431	4.754	0	10	BJAE	
C[C@@H](NCC1(C)CCC(C)(C)CC1)C(C)(C)C	2007682096	VCBFIZNSVIQGFM-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC1CC(C(C)C)C1	2007761124	PVNXNMJMFMHDQC-BHDPWAOGSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)C[C@@H](C)C(F)F	2008579304	FEQVSRZRLNGHAT-TZMCWYRMSA-N	249.389	4.602	0	10	BJAE	
CCC1(CC)CC(O)([C@H]2CCCC(C)(C)C2)C1	2009306729	QAGGDPAFPLMWOP-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](N)(CCC2(C)CC2)C1	2009551569	ILEMOBHDLNJKHS-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)c2csc(C)c2C)CC1	2010743714	NZNXSTNGYKEQFP-DOMZBBRYSA-N	249.423	4.501	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC[C@]12CCC[C@@H]1C2	2010967684	GZWULQBBYDQYGI-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CC=C(C)C1(O)CCC2(CCCCCC2)CC1	2013201804	GWXVCHCRHOYLPY-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CCC[C@@H]1CC1(C)C	2013307829	ZUFPCYLOHGINMG-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@]1(C)CCCC(F)(F)C1	2014955219	UFIKWXYHXDSVPQ-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CC(C)[C@H](C)C[C@@H]1CCCCCCCCC1=O	2015387781	SEAIATPKOLQEMT-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@H]1CCC[C@@H](C)C1	2016148839	DGVSVDVOUUNLDV-PMPSAXMXSA-N	238.415	4.700	0	10	BJAE	
CC(C)=C(C)C1(N)CCC2(CCCCC2)CC1	2017478744	VJHJJPWWJJGKOK-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](C)CC1)C(CC)CC	2017730810	LDFXOWNUQKVOEK-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CC(C)(C)C[C@@H](C)N)CC1	2017732946	GELZKRAYXQDSON-WLYUNCDWSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@H]1CC[C@H](C)CC1	2017776536	QDKQGRUTSDSJKZ-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@@](C)(NCC2CCCCCC2)C1	2017917010	APXLKANASQSUAO-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC1(c2csc([C@H]3CCCCC34CC4)n2)CC1	2018309716	KBHKZSAJVYERDY-LLVKDONJSA-N	247.407	4.632	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCCCCC[C@H]2C)C1	2019199919	FSXLLMWFPIHCEQ-BZUAXINKSA-N	237.431	4.610	0	10	BJAE	
CC(C)C(CC[C@@H]1CCC[C@H](C)C1=O)C(C)C	2024004974	UOFIRKWKCOQDNR-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@@H](N)CC2CC(CC)C2)CCC1	2025434497	BHZRUOLSYJCEMN-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@](O)(CC2(C)CCCCC2)C1	2025571266	UCIWKVZZRPGILW-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1CC[C@H](C)C1	2026065339	UIVXHXKKXSTPOL-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@H]1CCC(C)(C)C1	2026081130	JHGAZCMQDIRQDT-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC1(C)CCCC1	2026166769	MGMUBWWVNPSLDU-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C(=O)Cc1ccccc1C(C)C)C(C)C	2028254837	KNGAZJHORZIKTO-HNNXBMFYSA-N	246.394	4.604	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1ccc(C2CC2)cc1	2028599215	XZQKKQZALPPEJG-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
C1=C[C@H](NC2CC3(CCCCC3)C2)CCCCC1	2028881467	QLUZOKUOADSPKH-HNNXBMFYSA-N	247.426	4.578	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C(=O)CC1CCCCC1	2029601382	VLCBMSHGWKRENH-DZKIICNBSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1cc2ccccc2o1	2029839304	YRQAREYJYRTZKI-LRDDRELGSA-N	246.350	4.539	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C[C@@H]2CC2(C)C)cc1	2032362004	FDGZRDGBDJXKQR-APHBMKBZSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@]1(C)CC1(C)C	2035595746	YNRONDIXCAFTDT-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
O=C1[C@H]2CCCCCCCC[C@H]2C12CCCCC2	2035891466	WEJHWHBZGHUCEG-LSDHHAIUSA-N	248.410	4.886	0	10	BJAE	
CCC/C=C/CN[C@@H]1CC[C@@H](C)c2ccccc21	2036763238	NAPLUTWKMGMISS-TXDDUOMGSA-N	243.394	4.571	0	10	BJAE	
CC(C)CC[C@](C)(N)CCC=Cc1ccccc1	2037114989	GXENZXDPZPAHOQ-QGZVFWFLSA-N	245.410	4.634	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)CC1CCC=CCC1	2037207593	BQNZYNHWNPVWIV-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)[C@@H]1CCC2(CCCC2)C1	2037679723	UABJIRAVBXGSPY-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)C2(CC)CCC2)cc1	2039719613	JGGUQXLILVWDTN-CZUORRHYSA-N	245.410	4.780	0	10	BJAE	
C1CCCCCC(NC2[C@H]3CC[C@H]23)CCCCC1	2041937066	HKCIIWKWQNUQNK-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@]23CCCC[C@@H]2C3)C1	2043001665	TXRVTAJMLVNZRJ-GMUWMPNVSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@@H]1CC(C)(C)C[C@H]1C	2043195120	RMZMICDMVXRPGQ-IIAWOOMASA-N	249.442	4.680	0	10	BJAE	
CC(C)CC[C@@H](N[C@@H]1CCC2(CCC2)C1)C1CC1	2043609942	SVVZOKJFRJXMEV-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC=CCCC2)CCC[C@H]1C	2045319232	BNBQTVWVTCOARX-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@@H]2C[C@@H]3C[C@@H]3C2)cc1	2045847535	JZRRKLCDHYQMCB-XOUADPBQSA-N	244.378	4.625	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)C[C@H]1CC12CCCC2	2047015210	HIRIPMVKZNLHFJ-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H]1CCC12CCC2)C1CCCCCC1	2047927195	AMGPQMQUVMDNGE-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC([C@@H](C)NCC=CC2CC2)CC1	2049423956	ZHOFGUVXKMMXDF-HPUBIQBYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C2=CCCCCCC2)C1	2049530671	YAIGFVFSGCWMOC-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2CCC3(CC2)CC3)C1	2049853453	DYMAYNRQLSFAKZ-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCc1ccccc1NC1C2CCCC1CCC2	2050041728	LQWSJWFLYVDISB-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CC1(C)CCCC[C@H]1NC1C2CCCC1CCC2	2050041795	MMKSGUQSVYSQRK-MYLOQMAZSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CCC[C@H](NC)c1ccccc1C	2050459217	USMZAEVVTHPQPX-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@@H]1CCCCC1(C)C	2056872755	GYXNJRALAWQVKY-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C1(C2CC2)CCCC1	2057608656	IMBNYCOBMNRZCC-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1(CCN2CCCC[C@@H]2C2CCCCC2)CC1	2059247701	UEOPFUXDYQPHON-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CC(C)=C[C@@H](C)C1	2059250675	SHZUMZDYCMOHQQ-UZFADEEESA-N	249.442	4.703	0	10	BJAE	
CCCCC1CC(N[C@@H]2CC[C@H]3CCCC[C@H]32)C1	2059391477	CMFDFTBTMCUPCS-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC1C[C@H]2CCC[C@@H]2C1	2063524875	PNAJYALDJTUMFE-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063537134	ZRRPBNWMIZOUPT-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC2(CCC2)C1)C1(C)CCCC1	2067516533	GJUYQWRMBQZDRB-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccccc1[C@@](C)(N)C1(C)CCCC1	2067529050	DBWVCNKGMCEDLR-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)c1cccc(C)c1C	2068843592	MKRKJPKTPOCEBC-RHSMWYFYSA-N	247.426	4.636	0	10	BJAE	
CC(C)C(Cc1ccc2c(c1)NCCC2)C(C)C	2069005547	YFYUWERKLOBEPD-UHFFFAOYSA-N	245.410	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CCC2)C1(C)CCCC1	2069216168	WZPKBJHQSIEJHE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H]2C[C@@H]3CCCC[C@H]3C2=O)CCC1	2069281203	UESKHFUOOSCJRN-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C1CCCC1)C1CC1	2070406377	AKFVGZYYBTUXBK-WMLDXEAASA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)CCC1	2071915662	QLQMTMFJRPEKFC-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC=C[C@@](N)(CC2(C(C)(C)C)CCC2)C1	2071916285	XSJPEFNGSZUWTM-KRWDZBQOSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC1(C(C)(C)C)CCC1)c1ccoc1	2071940971	OHQRDMJWMOWENV-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)C1CC2(C1)CC(C)(C)C2	2072421544	AKGAYXXZTBPJBY-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)[C@H]1CC12CCCCC2	2074633213	AASWXZNGFSAQRX-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)Cc1cc(C)ccc1C	2074926293	YXZPBUJSZHCIJI-HNNXBMFYSA-N	247.426	4.560	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N(C)CCC1=CCCCC1	2075149075	USFGBRZVCRKCHM-NVXWUHKLSA-N	249.442	4.778	0	10	BJAE	
N[C@H](CCC[C@@H]1C[C@@H]1C1CC1)CC1CCCCC1	2075820399	KKKDCKNVNVNLSK-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCC3(CC3)C2)[C@H]1N	2076396515	VIRHHIWCKPXTLQ-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CC(Nc2ccccc2C2CC2)C1	2077262943	GMOFHHIAQXPVQB-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1N[C@H]1CCCCC12CCCC2	2079530342	NTPFDCLRTFTFLK-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
C1CCCC([C@H]2C[C@@H]2CC[C@@H]2CCCCN2)CC1	2079695939	NYCPNIRKXOVHKX-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C(C1CCC1)C1CCC1	2079859872	ATLLANPYKDSDIZ-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@H]1C[C@@H]1C1CCCCCC1)C1CC=CC1	2079860489	DMQPHNWPMDPUGL-HZPDHXFCSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2C[C@@H]2C(C)(C)C)cc1C	2079862190	IDCJGQGQMBRYPB-GJZGRUSLSA-N	244.378	4.558	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)c1ccc(C(C)C)cc1	2079867016	SXSYTNAOKJVSCG-HOTGVXAUSA-N	244.378	4.819	0	10	BJAE	
O=C(C[C@@H]1C[C@H]1C1CCCC1)C1CCCCCC1	2079867828	VVQZRUNXBNTYRK-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1[C@@H](N(C)[C@H](C)c2ccccc2)CCC[C@H]1C	2081137412	PJJDSINTRWOKDV-DLTWYDFYSA-N	245.410	4.504	0	10	BJAE	
CC(C)NC[C@@]1([C@@H]2C=CCC2)CCCC(C)(C)C1	2081682252	QQKSJKHIZRYPAH-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCC[C@@H]1CC12CC2	2086409004	NULADMQKXARTOL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1sc(C(=O)[C@H](C)C(C)(C)C)c(C)c1C	2211700135	FAVUQFYCSTYXEY-JTQLQIEISA-N	238.396	4.538	0	10	BJAE	
Cc1cc(Cl)cc(OC[C@@H](C)CC(C)C)c1	2212531462	IIXLDCZCOQRWBX-LBPRGKRZSA-N	240.774	4.709	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](CC(C)C)C(F)F	2213854940	DSQAPUCSEFRRFD-STQMWFEESA-N	249.389	4.615	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCCCC2CC2)CC1	2214564841	YFJAYAMCMAHVAU-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC1([C@@](C)(O)CCCCC2CC2)CCCCC1	2214586205	VFXHDARZFYKFHS-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCCCC(F)F	2216508101	ZIIJPGVCUZRNTO-ZDUSSCGKSA-N	249.389	4.713	0	10	BJAE	
C[C@@H](NCCCCCCCC1CC1)C1(C)CC1	2216862716	ZNFBSSVELHJZBL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CCC1CCCC1)CN[C@@H](C)CC	2217154186	RIVLQMJYDDKGKG-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C(CCCN1C2CCCC1CCC2)CCC1CC1	2218733743	YTVDMJPNKYDUFG-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C[C@]12CCC[C@H]1C2	2220045130	MJYLSIUSUVRHDK-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(CC2(C)CC3(CCC3)C2)C1	2221028447	PZVKBDDBXFEAAO-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CC1(C[C@]2(N)CCC=CCCC2)CC2(CCC2)C1	2221042681	ZCBRHGWVKDNDEG-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
C[C@H](NCCCCCCCC1CC1)c1ccoc1	2223161451	DFGVVKYWEUWTNI-AWEZNQCLSA-N	249.398	4.681	0	10	BJAE	
C(CCCN[C@@H]1CC[C@@H]2C[C@@H]2C1)CCCC1CC1	2223167530	NGEHAGNNPOLWDA-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(CC2=CCCCC2)c1	2243244564	ASPFRIVFGYOAJE-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CN[C@H](CC1=CCCCC1)c1csc(C)c1C	2246387548	SDSNSEKWRMXYKV-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
C[C@H](C[C@H](O)C[C@@H]1CCC1(C)C)CC(C)(C)C	2247305749	DDDXYNGNPNHMJQ-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)CNCCCCC[C@H]1C[C@@H]1C	2248880140	QNKMBVCUUKQFHL-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H](CC)CCC	2250356670	FNOBKPQZIJHIBP-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H](CC)CCC	2250374879	YGSBVVKGGLJURT-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)C1CC=CC1	2250477195	VEDVNTUIQKVGPB-GOEBONIOSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H]1[C@H](CCC(C)(C)CC)CCC1(C)C	2251722333	SVBFJXMDPORFGN-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@H](NC)c1ccc2ccsc2c1	2253065439	MYAPLZMBPBWHCN-OAHLLOKOSA-N	247.407	4.598	0	10	BJAE	
C[C@H](CC[C@@H]1CCCCC12CC2)[C@@H]1CCCCN1	2253886795	OWFGNJFSDWYZCM-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1([C@@H](N)CC2CC3(CCCC3)C2)CCC1	2254052550	BEXLIPNUEKNGJH-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@H]1CCCC2(CCC2)C1	2254513638	SPKARZUXZOCCRZ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](N)(CC1=CCCCC1)c1ccccc1	2255139714	DPFKPOMUUAVGET-QGZVFWFLSA-N	243.394	4.531	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCCC(C)(C)C1	2256143648	FMKGBFRQTCMQAJ-CYBMUJFWSA-N	249.373	4.769	0	10	BJAE	
Cc1cccc(OCCCCC[C@@H]2C[C@H]2C)c1C	2257247183	JMTBEHILQMWMLK-GDBMZVCRSA-N	246.394	4.899	0	10	BJAE	
CCCOc1ccc(NC[C@H](CC)CCC)cc1	2259464568	RKOZTTUAZNFXQL-CQSZACIVSA-N	249.398	4.714	0	10	BJAE	
c1ccc2cc(N[C@@]34CCC[C@@H]3CC4)ccc2c1	2260529639	CEYBERWKOTUIBE-NVXWUHKLSA-N	237.346	4.584	0	10	BJAE	
CNCC1(C[C@@]23CCC[C@@H]2CC3)CCCCCC1	2260651797	NFKIRXCFAQDINA-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)CC1CC([C@H](N)C2=CCCCCC2)C1	2261182608	SVECOWHIZUXKEI-AVVWSFFYSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H]1[C@H](CCC(CC)CC)CCC1(C)C	2300686659	SXSCEGUQEOVZNE-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CCC1(CN)CCC(C(C)C)CC1	2300870281	SGFUFPJHQRPIRW-UHFFFAOYSA-N	237.431	4.524	0	10	BJAE	
CC(=CC[C@H](N)CCC(F)F)CCCC(C)C	2300916123	KPDORSZCMKZMKA-ZDUSSCGKSA-N	247.373	4.522	0	10	BJAE	
CC[C@H](C)[C@@H](CC=C(C)CCCC(C)C)NC	2300936202	CJMCIINTSLVINJ-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)CC1CCCCCC1	2301145857	SNMKKKRKUTWLOC-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC1([C@@](C)(N)CC2CCCCCC2)CCCC1	2301147388	JGPBIPSSQBPXOF-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)[C@@H]1CCCC(C)(C)C1	2301699428	YGHXDLXDCZSRRT-SOUVJXGZSA-N	239.447	4.568	0	10	BJAE	
C[C@H]1C(C)(C)C[C@]1(O)CCCCCCC1CC1	2302116689	VWOQKABKPPECEW-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CCCC1=CCCCC1	2302332195	SWPBYKZONKETKX-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CC(C)CCCCC[C@H](N)CCC[C@H]1C[C@@H]1C	2302608886	NDIXVWFEXCCQFM-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H](C)c2ccsc2)CC1	2303474096	ZNFHPAXSXGRQCZ-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CC[C@@H]1C(C)(C)C	2303486812	HPHGTBSCBPTOKO-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CCC[C@@H]1CCC(C)(C)C1)NC	2304415833	NGKNHOBUDPMJNS-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(N)(C[C@@H](CC)CCC)CC1	2307749172	HQFAWGNMMMDJCO-FHERZECASA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)CC1(C(=O)O)CCCCCC1	2307904861	UYJCEFPEQATCDX-ZDUSSCGKSA-N	240.387	4.628	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1CC[C@@H]2C[C@@H]2C1	2309162178	MYWTYLNSROMXAB-ZNMIVQPWSA-N	244.378	4.625	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2CCC[C@@H]3C[C@H]23)C1	2309965383	ZEXKSHBUKQJRSM-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC[C@@]12CCC[C@@H]1C2)C1CCCC1	2310374985	MEABNRDSYNNXJI-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)CCC[C@@H]1C[C@H]1C	2310421976	AQTANCQDRRSCIH-ANQUJSFKSA-N	249.442	4.667	0	10	BJAE	
CCCc1ccccc1[C@](C)(N)CCCC(C)C	2315951522	HEXOIMYBABJBBU-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1cc(C)ccc1C	2316501777	GZMGTHTYUOMXGR-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
C[C@](N)(CC1CCC1)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316880716	YODZZPLOXLAKCH-LLLHUVSDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC)CCC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317148814	PQAXTMFFZCRDBV-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN[C@H]1CCCC12CCCC2	2318975495	BPVUNCHJXAQXPR-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](O)C[C@@H](c1ccccc1)C1CCCC1	2319679830	KBTJYBFAABKNBG-SJORKVTESA-N	246.394	4.512	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H]1CC[C@@H]1C(C)(C)C	2320209223	QECRMWSVOSPRCR-JYJNAYRXSA-N	249.442	4.548	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC[C@@H](O)c1ccccc1	2320244770	VBFMPXBKRXVBNZ-NUEKZKHPSA-N	246.394	4.573	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)C1(C)CCC1	2320390793	NGMANXSWQRYRKH-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2320410899	GZCPJUJNNIGZIF-JONQDZQNSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@H]2CCCC2(C)C)CC1	2320413419	NJCJAOITCJGBAQ-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@]2(C)CCC(C)(C)C2)CC1	2320424642	SFXJUYICHYSPIF-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(CN)CCC23CCC3)C1	2321603800	VWZMSTUFILRYCG-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)CC2CCCC2)c1	2327661441	XKQRXTUGAMRRTN-QGZVFWFLSA-N	245.410	4.699	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccnc(C(C)C)c1	2328323325	JZFQGTGVRPBEIO-UHFFFAOYSA-N	245.366	4.524	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cc(Cl)ccc1Cl	21514060	WXAWTQBEPBHZEW-BDAKNGLRSA-N	246.181	4.840	0	10	BJAE	
CCCCCC[C@@H](NCCC)c1ccccc1	34218081	JZTDWCBEKZDIEG-MRXNPFEDSA-N	233.399	4.698	0	10	BJAE	
CCCCC[C@H](C)NCc1cc(C)c(C)cc1C	34991298	RUFTYWVDYQBKDT-INIZCTEOSA-N	247.426	4.670	0	10	BJAE	
CCN[C@H](c1ccc([C@@H](C)CC)cc1)C1CCC1	35544400	ZZFZOFYPWVJSQM-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
C[C@@H](Nc1ccc(-c2ccccc2)cc1)C1CC1	37057012	YQCXOFNRALMTLY-CYBMUJFWSA-N	237.346	4.564	0	10	BJAE	
CCC(C)(C)C1CCC(O)(c2ccccc2)CC1	37375612	IGOMEQCSMLPMDP-UHFFFAOYSA-N	246.394	4.501	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC[C@@H]2CC)cc1	70977642	CARJZGZRUMRVCL-HOCLYGCPSA-N	231.383	4.630	0	10	BJAE	
CCCC(CCC)Nc1cccc(F)c1C	71105957	GAHXMJGMLDCERI-UHFFFAOYSA-N	223.335	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC(C)(C)C2)cc1C	79971032	UCHNOMYTZQMGAU-OAHLLOKOSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCCC(C)(C)CC1	83435743	KKQYRSOLQHPXKH-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CC(C)(C)CCOc1ccccc1C(C)(C)C	85151823	ADUVMJHWRFEGML-UHFFFAOYSA-N	234.383	4.799	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CCC(C)(C)C1	87769541	QCUXFEDQIGHZPG-LBPRGKRZSA-N	237.774	4.639	0	10	BJAE	
CC[C@H](C)C[C@H](CNC(C)(C)C)c1ccccc1	88098984	MWNHXSRWCJSEQN-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CC(C)(C)[C@]1(O)CCCC[C@H]1C1CCCCC1	89661364	DCFBFVOHNVBAIH-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CNCC)c1ccccc1C	93104473	JQPYAMSOIHYMJD-ZBFHGGJFSA-N	247.426	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CO)c1ccc(C)cc1	93142578	VUPCJBKIDULWLO-RDJZCZTQSA-N	248.410	4.677	0	10	BJAE	
CC[C@@H](C)C(=O)c1ccc(Cl)c2ccccc12	93655827	HVKCARNDUCUWNC-SNVBAGLBSA-N	246.737	4.722	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@@H](C)C1CCCCC1	103978863	XHIYXWPAZVFECK-YCPHGPKFSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)[C@H](O)c1ccc([C@@H](C)CC)cc1	109785442	OISQQFPRIXZANZ-LRDDRELGSA-N	234.383	4.670	0	10	BJAE	
CCCC[C@@H](CC)CNc1cc(C)cc(C)c1	110158805	WVXLCBLHVAYMOW-OAHLLOKOSA-N	233.399	4.932	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)C2=CCCCC2)CC1	110228318	NCNACMMFFFJHDC-UYSNPLJNSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](C)c1csc(-c2ccc(C)c(F)c2)n1	132276404	YQEBWOMLOQLKFG-SECBINFHSA-N	249.354	4.771	0	10	BJAE	
CCCC[C@H](CC)C(=O)Cc1cc(C)cc(C)c1	164178042	JSVHZNPVGFPBFV-INIZCTEOSA-N	246.394	4.631	0	10	BJAE	
CCCN[C@@H](c1ccsc1C)[C@@H](C)CCC	227895823	DISYBASHWKJMMB-SMDDNHRTSA-N	239.428	4.533	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@@H]1CC[C@@H](C)[C@@H](C)C1	229426348	CUWYCDDPXPDVDG-OCVGTWLNSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@@H]1CNc2ccc(C(C)(C)C)cc21	234016017	RNWMYSQWSRCANR-FZMZJTMJSA-N	231.383	4.539	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@H]1Nc1ccc(Cl)cc1	235588946	YPVWERJLLBDGPC-GXFFZTMASA-N	237.774	4.577	0	10	BJAE	
CC(C)c1nc2ccc(Cl)c(Cl)c2s1	238169797	CSAHSGYXNCLTCB-UHFFFAOYSA-N	246.162	4.727	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@H]1CC[C@@H](C)C1	300141675	RZEKKBXNYFCOFX-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCC2CCCCC2)[C@@H]1C	302238447	BYHZHXHQFYYDSS-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCCC(C)(C)C)CC1	302284351	JVUBYIPUEYXOFQ-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCc1ccc(CC)c([C@@H](O)CCC(C)(C)C)c1	302432158	VCYARGJNDXCVKU-INIZCTEOSA-N	248.410	4.671	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cccc2ccsc12	304207718	KWSHFICDJISQCX-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
c1ccc2c(c1)ccn2CCC1CCCCC1	305903920	BZHWNRYREHOBKM-UHFFFAOYSA-N	227.351	4.612	0	10	BJAE	
CC(C)C[C@@H](C)CC[C@@H]1CCc2ccccc2N1	305950018	MTYIDQMQNQHDFX-GOEBONIOSA-N	245.410	4.876	0	10	BJAE	
CSc1csc2c(C)cc(Cl)cc12	306736333	QEBFWDLQLRLOKB-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1c(Cl)sc2cc(SC)ccc12	306990686	UCBJMUZRZOECHL-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1sc2cccc(SC)c2c1Cl	307120422	IOPTXFIAFPVOKX-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C1CCCCCC1	308037938	WSONTSYINWFFHP-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)NCC(C)(C)C1=CCCC1	308757140	PGFQWNXFXQPVGJ-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@H](C)CC(C)C)C1	309985534	MOYHGAKOKHEBGW-LVQVYYBASA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCCC2(C)CCCC2)CC1	310190790	ZWENLJOSWVZPRE-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC[C@H](C)C1)CC(C)C	310425748	OZTKFQZAJWXZBX-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)c1ccc(C(C)(C)C)cc1	319074365	ZCEZQJYNPPXDGA-ZENOOKHLSA-N	247.426	4.666	0	10	BJAE	
CCCc1ccccc1NCC1(C)CCCC1	380075484	CWPALPVOVHAZIO-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1CCCC[C@@H]1C	384554106	QOYMGCLAGFFYJC-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)CC(C)(C)C)c(C)c1	384860758	HCZSSBZIZGOUNJ-GJZGRUSLSA-N	247.426	4.779	0	10	BJAE	
CCC1CCC(c2nc3c([nH]2)[C@H](C)CCC3)CC1	385500376	KGMVJIVUCOXAFF-PNESKVBLSA-N	246.398	4.533	0	10	BJAE	
C[C@H](C[C@@H]1CC[C@H]2CCC[C@H]2N1)C1CCCCC1	386151168	CPPPQUBRWXWVEN-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](O)c2ccccc2C(C)C)C1	386289043	GPUWTXITLCZVQJ-CPUCHLNUSA-N	246.394	4.670	0	10	BJAE	
CCc1c(C(F)(F)F)cc(F)c2ccsc12	396289606	AKJUHFXYWWHRGD-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@@H](C)C(C)(C)C)cc1	399218483	XSBFVJRDWVSHLW-WOSRLPQWSA-N	247.426	4.882	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@H](C)C(C)(C)C	399314709	NMNCUFSOYUUDJJ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)(CCNC(C)(C)C)C[C@H]1CC=CCC1	402370577	SFRAHOCCSHQULB-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1coc2ccccc12	404664168	XZCHIBACVVKECQ-OAHLLOKOSA-N	246.350	4.683	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@H](CCCC2CC2)C1	406135298	ZNDXLIMDJJZKPR-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC1CC1)c1cccc(C(C)C)c1	688941077	VVHJPKBQUSYXKK-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCCCC[C@@H]1CC	691096519	AXMQWKQLGLXYDX-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)(C)C)c1)C(C)(C)C	691653385	PFAHIZYXATWRFF-HNNXBMFYSA-N	247.426	4.681	0	10	BJAE	
C[C@H](CC(=O)[C@H](C)C1CCC1)C1CCCCC1	692768188	BANKWOMWTFQPJZ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC(C(=O)C2CCC3(CC2)CC3)C[C@@H](C)C1	695669262	YQCIZHZGIISGNG-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CCC[C@@](O)(CCC(C)(C)CC)c1ccccc1	696681324	BSNMDQCPRGPTIX-QGZVFWFLSA-N	248.410	4.891	0	10	BJAE	
CCC(C)(C)CCC1(N)CCC(C)(C)CC1	696808548	YDZGRAQSBFFYOZ-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)C[C@H](O)[C@@]1(C)CC[C@H](C)C1(C)C	699089373	MAXPRXMTFPEXOV-DUVNUKRYSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)CCC1=CCCCC1	699810717	KEXACEDGSDWCGG-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)c1cc2ccccc2s1	700942877	MGCUSEYNBWFRCT-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1scc(C)c1Cl	701181230	SCMFJLDYUABXIB-LLVKDONJSA-N	245.819	4.536	0	10	BJAE	
CC(C)c1ccc(C[C@](C)(N)CC(C)(C)C)cc1	704909453	BIHGHXIHPRJYDY-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@H]2CCC[C@H]21	707733959	SCWSOQDPUWMLQP-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](NC[C@@H](C)CC(C)(C)C)C1CCC1	709077599	TUCWATCGTHIDEV-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)c1ccsc1Cl	709121354	CFKWDQOXLIAABT-QMMMGPOBSA-N	244.787	4.657	0	10	BJAE	
Cc1ccccc1[C@](C)(N)C[C@H](C)CC(C)(C)C	709138646	BQOZBWNXIQZQIT-CXAGYDPISA-N	247.426	4.631	0	10	BJAE	
CNCC1(C[C@@H](C)C(C)(C)C)CCCCCC1	711142191	ICDHHQDBMKJZNW-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC[C@@H]1Nc2ccccc2C[C@@H]1C	711278962	ZKHLTEMZTNZLDI-ZFWWWQNUSA-N	245.410	4.876	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)CC[C@H]2C)cc1F	713068799	WHEYHJCLFIFTPR-IUODEOHRSA-N	249.373	4.761	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(N)CC(C)(C)CC[C@H]1C	713165672	RBOQDKQPOJHOGS-CJNGLKHVSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C/CCC1(CNC(C)C)CCCCCC1	713722297	YHZNPPOWSZSPFV-AATRIKPKSA-N	249.442	4.847	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1	714411350	MYXIMKWKWPPFCZ-KOLCDFICSA-N	248.757	4.510	0	10	BJAE	
C/C=C/CCc1c(Cl)cccc1Cl	714520900	GARFBCMXCOZJSG-NSCUHMNNSA-N	215.123	4.502	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCCCCC1CC1	716378746	KEPKGTYQZNSQEQ-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1cc(Cl)cs1	718744012	YJKLVFMBHYOBTI-LLVKDONJSA-N	244.787	4.571	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCCC[C@@H]1C	719151908	WMBOEEUWQYKXQC-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cscc1C(F)F	720311262	ATHFYRLWUXOUGL-KWQFWETISA-N	248.338	4.545	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNCC1CCCCCC1	1657966477	JSBLZDONLNPRLG-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCCCCc1ccnc(C(C)(C)C)c1	1901884370	HNCFKHZUYTUXIO-UHFFFAOYSA-N	219.372	4.502	0	10	BJAE	
c1cc(-c2nc(C3CC4(CC4)C3)cs2)cs1	1903400292	UTMHKPKWJQFYSP-UHFFFAOYSA-N	247.388	4.529	0	10	BJAE	
Cc1cccc(NC[C@@]23CCCC[C@@H]2C3)c1Cl	1909906944	FIEVVGPZDCRPCZ-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@H]1C[C@H]1C(C)(C)C	1910817200	QKLJWTXKZNWLSM-TTZDDIAXSA-N	239.447	4.602	0	10	BJAE	
CC1(C[C@H](N)C2CC3(CCCC3)C2)CCCCC1	1912628671	NYZKZPYEMRZPCE-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCC1CC1)C1CC2(CCCCC2)C1	1912635166	PJPZTPVCXDZTJI-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1N[C@H]1CCC2(CCCC2)C1	1916443054	UAAYNXACNGIRPQ-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CCC1CCCC1	1920191122	XJQMHXHDRIWANP-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCNc1ccc(C2CCC2)cc1	1921559632	XXEBTIOAOJZIMB-OAHLLOKOSA-N	243.394	4.802	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@@H]1CCCC12CCC2	1921620466	PDFZODICUKRMBR-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
COc1ccc(CCC[C@H]2C=CCCCC2)cc1	1925843998	QIOXSKLSIIEBMT-HNNXBMFYSA-N	244.378	4.764	0	10	BJAE	
CCCC[C@@](CC)(CO)C[C@@H]1C=CCCCC1	1925947211	ZAMZSAJWBVBPAU-HZPDHXFCSA-N	238.415	4.702	0	10	BJAE	
CCC[C@@H](NCCC(CC)CC)c1ccccc1	1926171622	ABFARULPFFDRBV-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
CC1(CCCC(=O)c2cscc2Cl)CC1	1927807837	MWWBJXWRMZNGPU-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCC1CC(Nc2ccc(Cl)c(Cl)c2)C1	1932139011	LXHCNAROSAXRFF-UHFFFAOYSA-N	244.165	4.594	0	10	BJAE	
CC[C@@](N)(CC1(C)CCCCC1)C1CCCC1	1940411389	YGCFBDHHBPYMQQ-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CC2CC(C)C2)CC1	1940687586	GYQDHWCPHCYEHV-BHDPWAOGSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(=O)[C@@H]1CCC[C@@H](CC)C1)C(C)C	1941263296	AHFRNEVVEWADSJ-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(CCCC2CCC2)C1	1941461605	HUNYZDYXRPMSTL-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](NCCCCCC2CC2)CC1	1941581764	ODAUOCZTHWOGLF-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@@H]1CCC[C@H]1C	1944829602	DMDJALBNRDWDOB-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1947855268	HNXFKRHXBWAJLA-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H](CC)CC(F)F	1948851192	YIGXUIDVRITWFU-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC1(C[C@@]2(N)CCCCCC2(C)C)CCC1	1948983720	GVJOUAVDEVJKSL-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)C[C@@H]1c2ccccc2NC[C@@H]1C	1949108959	HBDCINIFIOUGKS-YDHLFZDLSA-N	231.383	4.658	0	10	BJAE	
CCC(F)(F)CCCC(=O)CC1CCCCC1	1949916874	MSQOFUQRHMTLLJ-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CC23CCCCC3)s1	1950600378	XBUDNXIKTYWKSS-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)[C@H]1CCCC(C)(C)CC1	1950914650	RQXHOOZNNDLEOC-ZQDZILKHSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@H]1CCC[C@@H](C)CC1	1950921625	HHNVRDGNBBQHRA-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@@H]1CCC[C@@H](C)CC1	1950925249	RMWAEMGWFIBJJS-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)CN(Cc1ccccc1)[C@@H](C)C(C)C	1953230259	AQARFXCRXUWCKZ-CVEARBPZSA-N	247.426	4.579	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCC[C@H](CC)CC1	1967708469	QAYURAGCVGYSDQ-GOEBONIOSA-N	239.447	4.904	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCCCC23CCC3)C1	1967781936	CFKATVQHALOIOY-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(OCC[C@H]2CCC[C@@H](C)C2)cc1	1968269825	GAAINJSJVAFDIX-HUUCEWRRSA-N	232.367	4.590	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC1[C@@H]2CCC[C@@H]12	1968350018	LXINESWFXLIPNS-HUUCEWRRSA-N	244.378	4.543	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H](C)CCCC(C)C	1968367200	UWXIDHJRPZJRBP-ZDUSSCGKSA-N	237.362	4.761	0	10	BJAE	
CCC1CCC(CN(C)c2cccc(C)c2)CC1	1968606431	ZQEACOJVJBLHKV-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
Cc1cc(F)ccc1O[C@H]1CCC2(CCCC2)C1	1968629504	WBHGEBDZVWYCBB-AWEZNQCLSA-N	248.341	4.626	0	10	BJAE	
Cc1cccc(N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)c1F	1969472566	YKQXEHXJBOIVDH-MZXFEWSRSA-N	249.373	4.617	0	10	BJAE	
Cc1cc(C)cc(CN(C)[C@@H](C)CCC(C)C)c1	1971361180	DOXSKULKJZEDQB-INIZCTEOSA-N	247.426	4.560	0	10	BJAE	
CC[C@H]1CC[C@H](C)N1Cc1ccc(C(C)C)cc1	1971799404	HHMJVAMOWFSXNV-YOEHRIQHSA-N	245.410	4.573	0	10	BJAE	
CCCCC[C@H](NC)c1csc(C(F)F)c1	1978583090	RLDBQZQHJDAVDR-JTQLQIEISA-N	247.354	4.527	0	10	BJAE	
C/C=C/CCC[C@H](N)C[C@@H](C)CC(C)(C)C	1984629806	KYNZRPFYLXGTSX-AFJNRPGYSA-N	225.420	4.523	0	10	BJAE	
CC=C(CC)c1cc(C(F)(F)F)cc(Cl)n1	1994697333	VYTGCGZMRUBKQU-UHFFFAOYSA-N	249.663	4.567	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)CCC2CCCCC2)C1	1996237471	LFILVAVETWIKNR-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C2CCCCC2)CC1	1997107384	BKIPQZMHIHBIEL-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)C[C@H]1CCC=CCCC1	1999981654	QFMJDWPYFVPIKT-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCC=CCCC1)C(C)(C)C	1999985158	GOSKSOLRVGLHPZ-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CCC=CCCC1	1999997025	UYXVPHXMUDILGO-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](NC1CCCCCCCC1)C1CC1	2003100062	PZTFVDONAMQUFH-MRXNPFEDSA-N	237.431	4.658	0	10	BJAE	
CCC(C)(C)C[C@H]1CCCCCCC[C@@H]1NC	2003110385	CTXDUXWQFMNLHC-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@@H](N)C2(C)CCCCCCC2)C1	2004921939	BNQYYCGYTDYNNN-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@H]1CCCCC12CC2	2005563174	IILCJHAGHDRAMU-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(CF)cc1	2007025133	JOAROALUJHBTFG-JSGCOSHPSA-N	237.362	4.783	0	10	BJAE	
CC1(C)CCC(C)([C@@H](O)C2CCCCC2)CC1	2007699140	WEOXKSKIZPIXQN-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)C[C@@H](C)C(F)F	2008579303	FEQVSRZRLNGHAT-OCCSQVGLSA-N	249.389	4.602	0	10	BJAE	
C/C=C/CCCC(=O)c1cc2c(s1)CCCC2	2009570604	ATIGCLRGMOAXFU-NSCUHMNNSA-N	248.391	4.556	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H](C)C(C)(C)C	2009630898	YHQDPLUWUKDFPM-MMCPSDEHSA-N	239.447	4.783	0	10	BJAE	
C[C@]12CC[C@@H](Nc3ccc4sccc4c3)[C@H]1C2	2013042500	OKHQZTMXJDZKDK-UMVBOHGHSA-N	243.375	4.502	0	10	BJAE	
CC(C)CCC(N)(C1CCCC1)C1CCCC1	2013223669	AHWFHUKYQOLFNJ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)Nc1cc(F)c(C)c(F)c1	2013714608	OTGFXBKXVDUTLL-UHFFFAOYSA-N	241.325	4.654	0	10	BJAE	
CCC(C)(C)[C@@H](O)c1sc2ccccc2c1C	2014294138	UCKJKLZJHPYJMR-AWEZNQCLSA-N	248.391	4.679	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)[C@@H]1CCC1(C)C	2014934019	FKHVIRSYAHDTBW-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CCNC[C@@H](C)C(C)(C)C)C(C)C	2015359257	CKRNXFSYQOGVEP-CQSZACIVSA-N	241.463	4.577	0	10	BJAE	
CC(C)C(C[C@@H]1C(=O)C[C@@H](C)C[C@@H]1C)C(C)C	2015387469	JFGBRKXJXHQQJZ-YDHLFZDLSA-N	238.415	4.556	0	10	BJAE	
CCCC1(CSc2cc(N)ccc2C)CCC1	2015642335	PKNIRAPEZFQPSB-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC1(C(C)C)CCC1	2017145926	NPTAAALZFPFAPJ-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@@H](O)C2(C(C)(C)C)CCC2)CCCC1	2017159597	YSCRAZWAZWVNFS-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CCCC[C@H]1C	2017487197	PZANSSHVIXVFGM-FVQBIDKESA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C[C@H](O)[C@@H](C)CCC)CC1	2017650182	DMEMOOYNUOUNRV-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CCCC(F)F)CC1	2017661767	DUGVHPMCNRQZIQ-HAQNSBGRSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@H]1CC[C@H](CC)CC1	2017774352	NLWYNGCIDSVQIA-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@H](CCC2CCCCC2)[C@H]1N	2020358078	CUKFNFQQZRSUAL-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@H]1CCCC(C)(C)C1=O)CC(C)(C)C	2020387912	FLXVTMAKHGRVOJ-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@H]1CCCC1(C)C	2021078776	DUXDDIRAVWQHOC-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1C[C@@H]1C1CCCC1	2022455656	YGYJKJUEDHWWJF-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc(NCC(F)=C2CCC2)c1	2023248517	ZZBACICTTSINPP-UHFFFAOYSA-N	233.330	4.629	0	10	BJAE	
CN[C@@H](CC=C(C)C)CC1(C(C)(C)C)CCC1	2023327744	MUESHFCMXLMYMZ-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](O)CC1CC(C)(C)CC(C)(C)C1	2024114525	CGMSLYJXLSXAGD-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@H]1CC(C)(C)CC[C@H]1NC	2024125525	UEQYGLXTIZKHNX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CC(C)(C)C1(C)C	2025028968	LMPHAUGBGBNWMD-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H](C)C(C)(C)C	2026165336	AMENDODPZPGIOE-KKUMJFAQSA-N	241.463	4.993	0	10	BJAE	
c1sc([C@@H]2C[C@@H]3CCC[C@@H]32)nc1C1CCCC1	2026605562	RNDULMXAHXYSAY-RWMBFGLXSA-N	247.407	4.704	0	10	BJAE	
C[C@H](CC1(CNC2CC2)CCCCCC1)C1CC1	2027615568	XDDIUKNKDZLREL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1ccccc1C1CCC1	2029069838	NRSIHSHSENGTHD-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NC1(C2CCCCC2)CCC1	2033056856	KLXSOIPRKXDMHV-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC(C)CC(C)(C)NCc1ccccc1C(C)C	2034904553	QVSFNCXPOFJXPY-UHFFFAOYSA-N	247.426	4.724	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCC1	2035887427	PHLPWOZBOADQGJ-BFYDXBDKSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)C1CC2(CC2)C1	2036190321	OYTZGZOMGTWZSD-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CCC(C)(C)c1ccccc1)NCC	2036956686	DSHNTKRWQPMBSQ-MRXNPFEDSA-N	247.426	4.523	0	10	BJAE	
CCC[C@@](N)(C1=CCCCCCC1)[C@@H]1CC1(C)C	2037074954	DCDAFIKYBCADHS-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC1(C)C[C@@H]1CCCC1(N)C[C@H]2CCC[C@@H](C2)C1	2037177946	INQGLICDFCZTCB-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)C[C@@H]1C=CCCC1	2037306226	ZKJTXJLQEPWJIA-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](O)C1=CCCCCCC1	2039434695	LFGFMRGOUFZUKX-XIRDDKMYSA-N	248.410	4.620	0	10	BJAE	
CC[C@@](N)(C[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	2040681822	WSGHKWHPEYZCAK-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(CC2CC2)cc1	2040708434	VMRDPISJXBBDPK-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
C[C@@H]1[C@H](C[C@]2(N)CCCC3(CCCCC3)C2)[C@@H]1C	2043453417	JGYLSVFHHQGFFC-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@@H]1CC12CCCC2	2045307098	GVEUVNRSVNQVAL-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCC[C@H](n2ccnc2C2CCCC2)C1	2045448541	BXEKOZMYJGYRCT-AWEZNQCLSA-N	246.398	4.682	0	10	BJAE	
CCC1CCC(N)(C[C@H]2CC23CCCCC3)CC1	2047015519	JLEWDEQPPPIHAE-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
C=CC=CCC[C@@]1(O)CCCCC12CCCCC2	2047590692	SMJIGRAALVGTKG-QGZVFWFLSA-N	248.410	4.764	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1CCC2(CC2)C1	2049855026	NDVFUPYMQOWUSL-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CN(CC1(C)CCCCC1)C[C@]1(C)C=CCCC1	2049973150	OOELQDREXXUYIQ-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C1(C2CCC2)CC1	2051908973	PYNVAFINGAHROJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCC[C@H]3CC[C@@H]32)CC1	2052289587	ZISXBENZDDMZSJ-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CNC[C@@]1(CC2(C)CCC2)CCCCC12CCC2	2053354491	FHDCTZHOJDHYDI-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)=C(C)CCNC[C@H]1CCCCC12CCC2	2053430620	LKFYJMVUNLVGEW-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CCC23CCCCC3)CCC1	2055554009	DXZNVPUSPDTGAF-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CCCC1CCC(Nc2ccc(CF)cc2)CC1	2055676918	DXLUSNXAHHYDGO-UHFFFAOYSA-N	249.373	4.927	0	10	BJAE	
CCC1CC(CC(=O)c2cccc(C3CC3)c2)C1	2056667092	ACJNWPRTBYQSOZ-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC=CCCC[C@@H](CC1=CCCCC1)NCCC	2059224975	HYKZEFHOPMNKBC-KRWDZBQOSA-N	249.442	4.992	0	10	BJAE	
CCc1ccc(C)c(C(F)F)c1C(F)(F)F	2060359818	VYZLBNISWIODLR-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)C1=CC[C@@H](C(C)C)CC1	2061110981	NSMHBCBIIOULSG-PVAVHDDUSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C2=CCC(C)(C)CC2)C1	2061112040	BNWXMJYTDIODJF-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CCC1CC(=C2CC2)C1)C(C)(C)C	2061742273	WSRFVVFOHHCGRJ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCCCC12CC2	2062015873	BSRKITKUJHLHJD-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
C[C@@H](C[C@@]1(N)C=CCC(C)(C)C1)C1CCCCC1	2063635599	LQDDYTXACPXOGZ-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2C[C@@H](N)CC3(CCC3)C2)C1	2063643934	XLIGBDKRVKWEAW-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(C)cc1OC	2065989853	IDTAOMFSKWOLOE-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
CC1(C)CCC(CC(=O)C2C[C@H]3CC[C@@H]3C2)CC1	2068722975	KXAGAMWYJAELNS-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)C)c1ccc(C(C)C)cc1	2068816558	HZHPONSABNVXQW-WMLDXEAASA-N	247.426	4.753	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@@H]2CC23CCC3)CC1	2069177418	VANJCGOIAZZEFR-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@](O)(CC1(CC)CCC1)c1ccccc1	2069283866	GLFFSABOKAXRDJ-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
CC(C)c1cccc(C(=O)C2(CC3CC3)CC2)c1	2069510120	ZZVHFWQIADNABI-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC(C)(CC(F)F)Nc1ccc2ccccc2c1	2069919615	TZLTXOHIEWSEOP-UHFFFAOYSA-N	249.304	4.686	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@H]3C[C@H]23)CC1	2071191963	MHSOFYDIGVBBDN-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC(C)=C(C)C)c1ccccc1F	2072428731	IUAXMMLJVRXBFW-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)c1cccc(C)c1	2074640270	BVDIEGVYIWEEDY-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCCCc1ccc(-c2ccc(N)cc2C)o1	2077976489	SIMUUIFIIHYTSH-UHFFFAOYSA-N	243.350	4.570	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2C[C@H]2C2CCC2)CCC1	2079325815	WFDIYYKHAAETPQ-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
N[C@@H]1CCCCC[C@@H]1C[C@H]1C[C@@H]1C1CCCCC1	2079672920	ZINGEKZNAUVCFI-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@H]1C[C@@H]1C1CCCCC1)C1CC1	2079830668	DLQSKXYKLWNYAV-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)CCC[C@H]2CCCC[C@H]21	2081131106	BVPUPCDXYDQZFS-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCC[C@@H]3CC[C@H]32)C1	2082976586	RVEBWBNYLHXWQV-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCCC(F)F	2212197614	GSUOVDPROLBNRQ-NSHDSACASA-N	234.330	4.597	0	10	BJAE	
FC(F)(F)C(F)(F)CCCCC1=CCCC1	2212616767	KSYONKTXVOEUME-UHFFFAOYSA-N	242.231	4.855	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)C1CCCCC1	2214779671	YQYICNNFRVQKDX-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@@H]1CC[C@@H]1C	2215103201	YJFRYNZEBMBDRW-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(O)CCCCC[C@H]1CC	2215247805	GXHRUJWMAHBIMC-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)C2CCCCCC2)C1	2215398151	JZVJGOCBCJLCMI-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1CC=C(C)CC1	2215812208	IVFYNCIWOIVXJY-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCNC[C@@]1(C(CC)CC)CC=C(C)CC1	2215839566	LINGSPLFUITXHX-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](C[C@H](N)CCCCC(F)F)CC(C)(C)C	2216415096	UXPVXVNUPOHAAK-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)CCCC(F)F	2216421437	SHAIJJMVNFMXKP-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C2C[C@H](C)C[C@@H](C)C2)CC1	2221632390	QLBRMQVVNAJTRV-SRABZTEZSA-N	249.442	4.523	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1	2221643626	OCQMEAULLXQZIV-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](NCC2=CCCCC2)C1	2222257936	LNXZIOKUXMUUOA-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1	2222935207	XLJPRIGCCCAWAA-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCc1ncc(C(C)(F)F)s1	2242664222	XEGDGOVWUHQYOM-UHFFFAOYSA-N	245.338	4.544	0	10	BJAE	
CCC(CC)C(=O)CCCCC[C@H]1C[C@@H]1C	2243886934	ZCKBIHSKECPJBM-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)CC(C)(C)C	2243902101	JCYUNBQKGZHOQX-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)C(C)(C)C	2244836489	JUBDYQWKTKESDE-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
CC(C)NCC[C@@H](C)CC[C@@H]1CCC[C@@H](C)C1	2246686796	JEZNCVVHXGSVGY-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](C)(O)CC(C)(C)C)C1	2246687100	LWTXOCAUEDTVOC-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](N)CC1=CCCCC1	2247460571	CWXFGRJGMVBBCV-CVEARBPZSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](CC)CN[C@H](C)[C@H]1CCC[C@@H](C)C1	2250384144	ALIHMHIKUYQYDA-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CNCC1CCC(CC)CC1	2250390197	QLEJBGWIPJYACE-HWOWSKLDSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)CCC2CC2)C1	2251580219	UGNSIZXTJZQWFM-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C(=O)CC[C@@H]1CCCCC12CC2)C1CCC1	2253872938	JWNYRXBNYNNTGW-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc([C@@H](N)CC[C@H]2CCC[C@H](C)C2)c1	2253934243	GVYRMRFMJPEPLE-LXZKKBNFSA-N	245.410	4.601	0	10	BJAE	
CC(C)C1(C(=O)CC[C@@H]2CCCC23CC3)CCC1	2255313942	WBYZBZXBRNRXPY-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]2CC(C)C)cc(C)c1C	2258231571	PLEIGXBOVMEIPU-NVXWUHKLSA-N	245.410	4.848	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@]23CCCC[C@H]2CC3)C1	2260577710	HHMYONVRBMZRSN-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](O)c1cccc(C2CCCC2)c1	2260729601	FHQGBNAKDNRVHF-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@]2(N)CCC3(CC3)C2)C1	2261137890	CWCZERLWSLFATO-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)N1CCCCCCCCC1	2298868791	XAEZRIQFGYWFSC-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@H]1CCC(CC)CC	2300680804	ICIHEJMFGBMALN-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)c1c(C)cccc1F	2300700195	KHXZPRLEFHWELY-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CC(C)[C@@H](C)Sc1ccc(C=O)c(C2CC2)c1	2301283683	SCIJAXITAQMRDN-LLVKDONJSA-N	248.391	4.513	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(N)CC1(C(C)(C)C)CCC1	2301936876	ZWPDFRMEMRAHSP-ZFWWWQNUSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1[C@@H](C(=O)C2CCCCCCC2)CC1(C)C	2302137012	WRQLCYBFJFBGFS-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(-c2c(C)ncc3ccccc23)cs1	2302241130	PUHDISOLQQRKHG-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CCCNCC(C)(C)CCCC1=CCCCC1	2302360502	BIUKMNCDGZTOHY-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1CCC(C)(C)C1	2302895197	GJULVVABCPMSEH-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@H]1CCC(C)=C(C)C1	2303603903	XXEGHEMVBQVKJL-CWRNSKLLSA-N	238.415	4.700	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC[C@H]1CCC(C)(C)C1	2304430752	CYFOIZBPUOIZQW-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)CN(C)CC1(CCC)CCC1	2307749012	GDUSSQHJNFGPEB-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(C)(C)CC[C@H]1O	2307896773	XNAVFWYOGUPMQZ-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CCC[C@@H](O)c1ccccc1	2307901047	HIKQHZUMVNHMHF-GOEBONIOSA-N	234.383	4.717	0	10	BJAE	
N[C@@H](CCCC1CC1)C[C@@H]1C[C@H]1C1CCCCC1	2311570002	AFQVHFAMVVIUBJ-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC(=O)C(CC1CC1)CC1CC1)C1CC1	2313643806	DCGZPZOFYBLMPH-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CC[C@H]2C[C@@H]1C2	2315883924	SSYJEHAEZPESSN-IMJJTQAJSA-N	243.394	4.719	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2316501969	IUILPUYUEJDTAP-HRCADAONSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1(C2CC2)CCCC1	2316541216	ZAZJRBFHOJNBST-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@H](CC)c1ccccc1	2316542601	RKRWRMKPTGTLDQ-IAGOWNOFSA-N	245.410	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316871368	ADBKCFJYWDTUKL-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
C[C@]1(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCCCN1	2316873713	OIBCYKBHOBHODK-LUKYLMHMSA-N	249.442	4.515	0	10	BJAE	
N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@H]2CC1CCCCCC1	2316936258	APKNCQRFPRQWBQ-ZYGGUILKSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CC[C@@H]2CCC[C@@H]21	2318551576	QNOLPEMTTGHDJM-YESZJQIVSA-N	247.426	4.565	0	10	BJAE	
CCC[C@H]1CCCN(CCCC2=CCCCC2)C1	2318575126	BPQUWEFMHCLLSU-KRWDZBQOSA-N	249.442	4.779	0	10	BJAE	
C[C@@](N)(CCCC1=CCCCC1)c1ccccc1	2318576341	OBDHNIZGTIDIOV-QGZVFWFLSA-N	243.394	4.531	0	10	BJAE	
O=C(CCCC1=CCCCC1)C1(C2CCC2)CC1	2318589392	PTWAHLWPZITEGK-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1[C@@H](N)CCCC1=CCCCC1	2318596518	AHSAWTUGAGSMOA-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)C1(CC2CC2)CC1	2318598065	PMMKEOSURGDGET-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@H]1CCCC2(CC2)C1	2318883381	SMCFJYKULPHYSP-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC[C@@H]1CC[C@H]1C1CC1)c1cccc(N)c1	2319737687	MQDGCMATSHASLX-PBFPGSCMSA-N	243.394	4.589	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@](C)(N)[C@@H]2CCC2(C)C)CC1	2320328176	OWCQXZVOIDOLAU-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H](CC2CC2)C2CC2)CC1	2320518064	ZHZWDXVKFYNJMR-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@H]2C=CCCC2)c1	2320518835	XIUVKYLCJOQOOV-WMLDXEAASA-N	243.394	4.556	0	10	BJAE	
CCCCNc1ccc(SC(F)(F)F)cc1	35036369	PQFWPRUXGGVDIG-UHFFFAOYSA-N	249.301	4.511	0	10	BJAE	
CCC[C@H](C)Nc1ccc(-c2ccccc2)cc1	37056994	GHBGRDKYNWAHOC-AWEZNQCLSA-N	239.362	4.954	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)c1cc(C)cc(C)c1	68848737	OSLYIUFJGGHOJF-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCCC[C@H](CC)Nc1cccc(CC)c1	68985645	RHJYWRWJRBAYAQ-AWEZNQCLSA-N	219.372	4.630	0	10	BJAE	
Cc1cc(C)c([C@@H](C)NC[C@H](C)C(C)C)c(C)c1	81045175	KVYTVUDKPOUMOY-JKSUJKDBSA-N	247.426	4.555	0	10	BJAE	
CCC[C@H]1CCC[C@H](Nc2ccccc2)CC1	86921993	OFNBIAUXUAWREX-HOCLYGCPSA-N	231.383	4.848	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](Nc2ccc(F)cc2)CC1	86922608	NBONEAVGBLXZIH-UKRRQHHQSA-N	249.373	4.987	0	10	BJAE	
CCCC[C@H](CC)C/C(C)=C/CCNCCC	93674968	ZEEPYDBBUBTEEG-KMPOOHAWSA-N	239.447	4.929	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C2(C)CCCC2)cc1	94899006	BKSQQSBKVBLCIQ-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
Cc1cc(C)c([C@@H](C)N[C@H](C)C(C)(C)C)cc1C	122551523	BQMZAJLWJDLWPW-HUUCEWRRSA-N	247.426	4.697	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)(C)C)C1CCC1	127806057	WPQRUTZEUKQSRD-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CC[C@@H](CNCC)c1ccccc1	155721276	YLKOLNGJSVPZEP-RDJZCZTQSA-N	247.426	4.596	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCC(C)(C)C[C@H]1C	155928447	PUCLKUSTAQWRNB-BXUZGUMPSA-N	249.373	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2(CC)CCCC2)C1	166303949	AZHXYWUMBUEPQC-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H](C)CC(C)(C)C	168242826	DIRQBWKXWCRCTA-ZIAGYGMSSA-N	228.420	4.780	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@H]1Nc1ccccc1Cl	221645528	UAVPQCYUPYAPMI-NTZNESFSSA-N	237.774	4.577	0	10	BJAE	
CCN[C@@H]1C[C@@H]2CCCCCCCCCC[C@H]21	227349196	WIIMFZBZHFZTGR-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](NC)c1cccc(CC)c1	228848898	LDGIHGFEGGPJAQ-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCCCC[C@@H](NCC)c1cc(C)cc(C)c1	229476954	PMZXLPVFNDNQGR-QGZVFWFLSA-N	247.426	4.924	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cccc(Cl)c1C	229617077	DRGJXBXJBSSASU-SMDDNHRTSA-N	237.774	4.639	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2cc(F)ccc2C)C1	235714759	CXQRLADQPFTGDC-BXUZGUMPSA-N	247.357	4.538	0	10	BJAE	
CC[C@@]1(c2ccccc2)[C@H](c2ccccc2)[C@H]1C	251990184	IUDJXXIBCCBBLD-FHLIZLRMSA-N	236.358	4.768	0	10	BJAE	
Cc1cc(-c2c(C)cc(C(C)(C)C)cc2C)on1	259427670	ZLAAAKAQLMUWDB-UHFFFAOYSA-N	243.350	4.564	0	10	BJAE	
CC[C@@H]1C[C@@H]1N[C@H](CC(C)(C)C)c1ccccc1	300600291	VEJIWYIFLMLBRD-VNQPRFMTSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	300690405	LXTDTAOMWYJNFY-QXSJWSMHSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)CCCC(C)(C)C	300915482	SNRQNZLRAKDBEO-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CCC1CCCCC1	300917899	KUXVGNQXQMJOJN-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H](C)CC(C)C	301012624	ZAWDQTWHIRJIRI-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](CCCCCF)C1	304386200	LQDPJTSLBWPYRR-CHWSQXEVSA-N	242.378	4.548	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)C[C@@H](C)CC(C)C	305905600	COEAAUJZWRXLKM-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)c1cc(Cl)c(C(C)(C)C)cc1N	309221998	PYUNFSZGTYPOJT-UHFFFAOYSA-N	239.790	4.517	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@@H](C)[C@H]2C)cc1	310467299	AHAHNVRSRQSDMU-VPWBDBDCSA-N	231.383	4.657	0	10	BJAE	
CCCC(CCC)[C@@H](CC1(C)CCC1)NCC	310516865	MNCPUWGVJZOBGM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](O)CC1(CC)CCC1	311036034	DMCWWOFVANTQDI-JKSUJKDBSA-N	246.394	4.512	0	10	BJAE	
CCNC[C@]1(C[C@H]2CCC[C@H](C)C2)CC=CCC1	317587314	OCBYRKIPABNKHD-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)C1CCCCCCC1	319519299	AKJXGXQPXWOCNE-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@H](C)[C@H]2C[C@@H]2C)cc1	321988515	DTPSQBMQWRGGSG-ZJOBFFGXSA-N	245.410	4.505	0	10	BJAE	
CCC[C@](O)(C[C@H](C)c1ccccc1)C1CCC1	322271568	KQDGSDGEZDIQFX-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@H](C)CC(C)C	380114447	ALYWTTCJFWRSGB-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)CCC(C)C	383152037	ONPVOPKGNZAWHU-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCC[C@@H]1C	383176032	TYUDESTVKYWFOW-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(O)cc1-c1ccc2ccccc2c1C	384292000	DNIKZHMSGDSGOS-UHFFFAOYSA-N	248.325	4.829	0	10	BJAE	
CC(C)c1ccccc1[C@@H]1Cc2ccccc2N1	386606100	MBFZQNLPUQEOAS-KRWDZBQOSA-N	237.346	4.519	0	10	BJAE	
CC[C@@H](NC[C@@H]1CCCC1(C)C)c1ccccc1	388848207	IIPIQRLRFQQANQ-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1(C)CCCC1	390645612	MFGPENDKSBMXNB-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)(CC)CNC[C@H]1CCC[C@H](C)C1	391169227	KGLODWUJEPFRPL-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(NCCC2CCCCCC2)cc1F	394648644	YEFNKLZOVDTHEP-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CC(C)CCCCC[C@H](N)C1CCCCCC1	394763437	OJEKQIMSKIHRFY-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CNC[C@H](CCCCCC(C)C)c1ccccc1	394871267	SNHUIQXAGYGEOR-KRWDZBQOSA-N	247.426	4.596	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCCCC(C)(C)C	395111041	BAYJMYIQPZLZOT-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
Cc1cc([C@@H](C)Nc2cscc2C)cs1	395713061	QXXOAQIFZGUTRQ-SNVBAGLBSA-N	237.393	4.600	0	10	BJAE	
CCc1cc(C(F)(F)F)cc2sc(F)cc12	396293492	GHDWQOVSSZAFQE-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
Cc1c(S)ccc2cc(C(F)(F)F)sc12	396312317	WXCSRFOOMPHTHZ-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCc1ccccc1N[C@H](CC)[C@H]1CC1(C)C	397587212	AYIKEVUBHHEEAO-HUUCEWRRSA-N	245.410	4.876	0	10	BJAE	
CCC(C)(C)CCN[C@@H](C)c1cc(C)ccc1C	686311098	SCOUABFLYJGMDY-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CC1(CNc2cccc(-c3ccccc3)c2)CC1	687311378	JSBNITAQMJURSX-UHFFFAOYSA-N	237.346	4.566	0	10	BJAE	
CCC[C@@H](Nc1cccc(C2CC2)c1)C1CCC1	690099922	VQUVMHZBIIOBSK-QGZVFWFLSA-N	243.394	4.945	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@H]1CCCC2(CC2)C1	695716629	LWFLLQLLJBNREO-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
C[C@H](Nc1ccc2c(c1)CCCCC2)C(C)(C)C	695769755	MDPFGDZILWJHKO-ZDUSSCGKSA-N	245.410	4.802	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCC(C)(C)CC	696562630	XDYMCXBZKRUEDF-HUUCEWRRSA-N	241.463	4.993	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)c1c(C)cccc1C	696593399	LUVOXZATEIAVOI-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CCC(C)(C)CCOc1cc(C)ccc1Cl	696799638	MMZLBGRRVUHKMA-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc2c(c1)CCCC2	697192700	DOJVPNDGESGXHJ-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC(C)=CCCC(=O)c1ccc2sccc2c1	697851655	UWYFTZRMVWWJCL-UHFFFAOYSA-N	244.359	4.830	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCCC[C@H]1C1CC1	704491500	MVEVZKDQRDBMBG-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@H]1CCCC[C@@H]1C	704845682	SVSHEUNXUKQAQQ-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@@H]3CCC[C@H]32)ccc1C	707727465	XLQWDWRPHRXNRH-USXIJHARSA-N	243.394	4.548	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CCCC12CCCC2	707766130	CNKCXMLQCFUTOI-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@]1(C)C[C@@H]1C	707772146	WDEIKRGONZPODR-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1C[C@H](C)CC(C)(C)C	709099050	ATTMRPNKCFEMRL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)[C@@]12CCCC[C@H]1C2	709131423	OLYBKEWYVAAAPU-WWGRRREGSA-N	247.357	4.515	0	10	BJAE	
C[C@@H](CC1(CN)CCC(C)(C)CC1)C(C)(C)C	711221932	AXYJRFNRPWVNJR-ZDUSSCGKSA-N	239.447	4.604	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(N)CC(C)(C)C(C)C)c1	713184688	ZYQMHCCTBUPFMH-KRWDZBQOSA-N	247.426	4.550	0	10	BJAE	
CCCC(CCC)[C@H](O)CC(C)(C)C(C)C	713242982	PXOLREGRRBGOLC-CQSZACIVSA-N	228.420	4.636	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C(C)(CC)CC	721672011	LHCUKNYTSDKCSJ-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CC[C@H](C[C@@H](O)CC1CC(C)(C)C1)C(C)(C)C	723531376	JHUBNTBHCJLTNO-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)SCc1ccc2c(c1)CCC2	1166122618	GRUDYWHGMBTQMJ-MRXNPFEDSA-N	248.435	4.987	0	10	BJAE	
CCCC1CCC(N(C)CCC(C)(C)C)CC1	1653499751	ADGZZCORGSLQBF-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
FC(F)c1ccc2ccccc2c1C(F)(F)F	1848365996	VDJISSPKMRTHGA-UHFFFAOYSA-N	246.178	4.796	0	10	BJAE	
CC1(CCN[C@@H]2CCCCC23CCCCC3)CC1	1875419430	MQHLEEVGILUYFE-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCCCCc1ccc(Cl)c(C)c1	1889480850	IOOBNOFZNBRSNX-UHFFFAOYSA-N	210.748	4.771	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@]1(C)C=CCCC1	1905430706	DINIJNNXRBCULN-HIFRSBDPSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CCCCCCC1=O	1905443595	ILAPDQJFFLTMJS-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@@H]1C[C@H]1CCC)NC	1910744443	UYYQRPODXMYBSW-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC=Cc1ccccc1)CCC(C)C	1912137250	ZYRCTDNEWJWEET-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(N)CC2(CCCCC2)C1	1912727517	LPYCXUIZXMCPKK-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCC1CC([C@@H](O)c2ccc(C(C)C)cc2)C1	1921183604	COUIAAZVMUYJKR-IMRCBTMISA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@H]1CCCC12CCC2	1921586591	OTVGPPPMIZRLJS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@H](C)C2CCCC2)c1	1924077608	GCSGMTIRQHNBSC-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CCN[C@H](CC(CC)CC)CC1CC(C)(C)C1	1926170830	KUNHEGDOQJCWLT-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCNc1cccc(C)c1C	1926201801	YMNRPJVZANIRCA-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CCc1ccc(CC)c([C@@H](O)CC(CC)CC)c1	1926379158	COUSCKMJTNKXQD-KRWDZBQOSA-N	248.410	4.671	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)[C@H](C)CCC(C)C	1937163127	KTESICNZISUFBE-ILXRZTDVSA-N	227.436	4.602	0	10	BJAE	
CCCCC[C@](C)(O)CC[C@H]1CCCC1(F)F	1940707433	XEWRRVDTPWXKNY-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C1CCC(CC)CC1	1941250468	GKXPRLAYUNZJQZ-QDIHITRGSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](C[C@@H](C)C(C)(C)C)NC	1941266304	CZFLRQZPUASHQL-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCC[C@](N)(CCCC1CCC1)C1CCCC1	1941467490	ZOBIVTDWNKTVLP-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCCCC(=O)C[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C	1942048043	JWLOOTAWDWAHON-KCQAQPDRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)NC[C@]12CCCC[C@H]1CCC2	1944195386	QXTARTFRAJGPTM-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)C(C)(C)C1CCCC1	1944642488	WMEYMDLALXKGLZ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CO)CC12CCCC2	1948135128	FUVMXMBWFGFVBD-HOCLYGCPSA-N	238.415	4.536	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H]3CCC[C@H]32)c(C)cc1Cl	1948821693	WPROHANWDVAZKZ-YWPYICTPSA-N	249.785	4.557	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CCC(C)(C)C1CC1	1949032810	VSGRBBLROIVPKX-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@H]1CCC(C)(C)C1	1949518972	NJSOPJXPOAEOKG-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@H]1CCC2(CC2)C1	1950267390	LWNVXYLCQSIHEP-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(F)c(NC2CCC3(CCC3)CC2)c1	1968341942	SEWPXOWFLGZVJO-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CCN(Cc1cc2ccccc2s1)C(C)(C)C	1968586988	CQFISESGJHMWDR-UHFFFAOYSA-N	247.407	4.522	0	10	BJAE	
CC1(C)CC(N[C@H]2CCCC3(CC3)C2)CC1(C)C	1970887402	DARCEEWFYAYAEH-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)C1(C)CCCCC1	1975576116	VVHQRRYALZYRPK-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)C1CC(C)(C)C1	1977364746	BDWFTGOLRYBPHG-JTQLQIEISA-N	237.774	4.577	0	10	BJAE	
CC1CCC(C)(C(=O)CCC(C)(C)C)CC1	1983313425	AZAVTBHNQIICMB-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC=CCCCC[C@@H](O)c1ccccc1Cl	1984604637	AIZPWJFKFMPQAT-CQSZACIVSA-N	238.758	4.510	0	10	BJAE	
C/C=C/CCC[C@H](O)C[C@H](CC)C(C)(C)C	1984608810	YTSWLAPCFCBRTD-AJKRIUKHSA-N	226.404	4.556	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)CCC(C)C	1990093549	MFKNTCKDQOHNNB-HUUCEWRRSA-N	227.436	4.760	0	10	BJAE	
CCCC[C@@H](CC)N(C)CCC(C)(C)CC	1990874092	XBHQBOYIUJHTFV-CQSZACIVSA-N	227.436	4.713	0	10	BJAE	
CCN[C@@H](C(C)(CC)CC)[C@]1(C)CC=CCC1	1997551442	LNEMGTUNEJYZLP-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](N[C@H]1CCC2(CCC2)C1)c1ccsc1	1998692364	BXZXVFUCMJCZMP-UONOGXRCSA-N	249.423	4.512	0	10	BJAE	
CCCNCCC(C)(C)[C@@H]1CCCC(C)(C)C1	2000162856	OBXBJTKIRRVSEH-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2C=CCCCC2)c(C)s1	2000183534	ZMDSDWDTHSOSLW-CYBMUJFWSA-N	248.391	4.684	0	10	BJAE	
CCCC[C@@](CC)(CNCC)C[C@@H]1CC1(C)C	2000500810	YLHKCUUNEZIZHI-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CCCCCF)CNCCC	2000512138	HRFDQMUPFKBTEX-OAHLLOKOSA-N	245.426	4.712	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)cc1Cl	2000833803	KVXPLTRTGFIQFI-IMRBUKKESA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1C[C@H](N(C)CCC(C)(C)C)CC(C)(C)C1	2000896451	KREZFHPEIGSLHM-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C)C[C@@]1(O)CCCCC12CCCCC2	2001600941	DQIDUEKAVLNHRI-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@@]1(CNC(C)(C)C)CCCC(C)(C)C1	2002980795	ZHMSDKVNLFEEIV-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H](C)[C@H]1CCCC(C)(C)C1	2003003899	DXHIHSJCLXLARV-AJNGGQMLSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@]1(C)C=CCC1	2003322983	DGFGFCJIGPVOBX-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)[C@]2(C)C=CCCC2)c1	2003333231	BCKSHAUWYGMJDH-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H](C)CC(C)(C)C	2004234693	SOIFCDUUOKDVGY-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(CO)CCCCC1(C)C	2005583846	RHCOMCBSSMXYNG-ZBFHGGJFSA-N	240.431	4.638	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H](C)[C@H](C)CC(C)C)CCC1	2006923396	SJCXVBPDSDDWMW-VNQPRFMTSA-N	237.431	4.536	0	10	BJAE	
CCC1CC(C[C@]2(N)CCCCCC2(C)C)C1	2007738819	RSPXVBISFOVHGG-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)C(=O)C1CC(C2CCC2)C1	2008402356	FNMXAFZYQPTFHP-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](N)[C@@H](CC2(C)CCCC2)CC1	2009404577	OYCQFDZHWCOGHH-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@H](CC)CC(C)C	2009533385	BXHWFCWZCOIWGH-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H](CCCC(C)C)NCCC	2009620141	RWBHJYDCPYZYCM-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
C[C@@H]1CC=C(C2(N)CCCCCCCC2)CC1	2010609309	OBEIWRFBPADTGO-CQSZACIVSA-N	235.415	4.565	0	10	BJAE	
CCN[C@@H]1C[C@H](CC(C)(C)CC)CC(C)(C)C1	2012055982	GNQCLYNKRTZMCG-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC1CC(F)(F)C1	2014276205	WPBBCHYFURPJSZ-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2CCC2(C)C)CC1	2014848298	DILPXYPTMDSESB-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(CC[C@@]1(O)CCCC[C@@H]1C)C(C)C	2015333221	BWFYAIQICYZNAO-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(C[C@H](C)C(C)C)C1	2015395215	WXCAMHNILILLMO-HRCADAONSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@](N)(CC)C1=CCC(C)(C)CC1	2018138224	DJEZNIKRZXQCGV-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCCC1(C[C@@H](N)C(C)(C)C2CCCC2)CC1	2018996499	LLJBXKGBDPJULH-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)N(CC(C)C)C1CCC(C)CC1	2019310867	DBVZLORRQIAQFH-UHFFFAOYSA-N	239.447	4.712	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCC(C)(C)C2)C1	2024095161	PLPYGCQGLDMFGE-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1CC(C)(C(=O)C[C@H]2CCCC(C)(C)C2)C1	2024101391	KHOFKWFWPXDXFM-MFOWVQHXSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H]1[C@H]2CCC[C@H]21	2026058712	FLMAMZODZBQEFR-DMRZNYOFSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H]1CC[C@H](C)C1	2026170982	TYANATJGNUBFAY-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNC1(C2CCCC2)CC1	2027372914	HSSAPGNXPDLWJM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC2CC2)CC=CC[C@H]1C	2027913617	QTGZRCGRSNHJBI-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](c1ccccc1CC(C)C)C(C)C	2028927430	OJPLTGFMVIHNDW-KRWDZBQOSA-N	247.426	4.582	0	10	BJAE	
O=C(CCC1CCCC1)[C@]12CCCC[C@@H]1CCC2	2031848313	DENRCMZKFGCETB-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccccc2C2(C)CC2)C1	2032243096	QPJRYRABXYSKBT-KGLIPLIRSA-N	243.394	4.729	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)c1ccccc1C	2035398854	BCVKGLKAVGKFDX-BFYDXBDKSA-N	245.410	4.614	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C[C@H]1C=CCCC1	2035576212	NNXNJDQKLSQNDH-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCCC2)CCCC[C@@H]1C	2035597309	BVKZGPGBLADUTN-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C[C@@H]1C=CCCC1	2035601348	SEQWLWRTGZRRLO-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC1CC(C)C1)c1ccccc1	2036179577	YLZWQHXKTISFDT-DQPZFDDXSA-N	245.410	4.554	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C[C@@H]2CCC[C@@H](C)C2)c1	2037048589	PMZZLKNTZOERME-VMGRFDJRSA-N	245.410	4.520	0	10	BJAE	
C[C@](N)(C1=CCCCCCC1)[C@]12CCCC[C@@H]1C2	2037073469	CGSVRIRUMDNIDJ-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C1=CCCCCCC1	2037075463	IYMBWDCYBFEVSK-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)CC1(C)CCCC1	2037105826	SLSVUEGAMZVXSB-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@H](C)C1CCC1	2037157051	BWCBAGAXEJXEHR-ZQIUZPCESA-N	249.442	4.667	0	10	BJAE	
CC[C@](N)([C@H]1CCC2(CCCC2)C1)[C@H]1CC1(C)C	2037587953	UGHZOVYAHYQRJC-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@](C)(O)c2ccccc2)C1	2038164515	JLBBXKLEGUQSDU-HLLBOEOZSA-N	246.394	4.501	0	10	BJAE	
Cc1ccc([C@H](N)[C@@H]2CCC[C@@H](C)CC2)cc1C	2039363356	PDSGDPCGAZDGHP-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC[C@@](N)([C@@H]2C=CCCCCC2)CC1	2039387673	YBNRVEHZBGTPPK-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCCCC[C@@H](C)NC1CC2(C1)CC1(CCC1)C2	2039459638	FNXXRRCDWUBBOU-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC=CCCC2)CC[C@H](C)C1	2045319878	HXFCLXREVXXBKU-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@@H](NC)[C@H](c1ccccc1)C(C)C	2045742245	YRWGJHOOJNNHSE-SJORKVTESA-N	247.426	4.595	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)C[C@@H]2CC23CCCCC3)C1	2047006365	AIMXDKBEHCELDR-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1[C@@H]2CCCCC[C@@H]12)CC1CCCC1	2048464576	WNTMUWCYMPGJSW-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2CCC[C@H](C)C2)cc1F	2049539513	HLNISBBBUMKUBO-YUTCNCBUSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@H]2CCC3(CC3)C2)C1	2049863154	GUIAQFCWUATCBU-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CC[C@H]2CC23CCCC3)cc1	2050459045	SMNNQVTYZGVBRS-HNNXBMFYSA-N	242.362	4.538	0	10	BJAE	
CCCN(C1CCCC1)[C@H]1CCC2(CCCC2)C1	2050740388	FKJHHIJUDIBYGK-INIZCTEOSA-N	249.442	4.754	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@]2(N)CCCCC23CC3)C1	2053314418	FIBOQQZRNOZZAN-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@@H]1CCC[C@@H](C)CC1	2053668125	SQPVKPWZUOJEOH-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C1CCCCC1)c1ccccc1	2056882956	PAVOIRFEJXDDRO-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(N)C=C1CCCCC1	2056920872	UYHGMVCWDOIRBW-HYVNUMGLSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C2(C3CC3)CCCC2)C1	2057607355	VGJJSZFNDIHIDA-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@@H]2CC=CCC2)[C@@H]1CC	2058733385	DWTYBPYDSIZHIE-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H](NC)C1(C)CCC2(CC2)CC1	2059221960	UNIHFPGBQKVAMJ-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H]1NCC[C@@]12C[C@@H]1CCCCC[C@@H]1C2	2059470832	UTMKNXDZPFOZBS-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCC[C@@H](CC)CC2)CC1	2061114321	XKJCZKDNUYBKCC-INMHGKMJSA-N	249.442	4.811	0	10	BJAE	
C=C=CCC[C@@H]1CCCCCCCC[C@@H]1NCC	2061560208	DCDPZXQBSZKFFJ-SJORKVTESA-N	249.442	4.836	0	10	BJAE	
CC1(C)CCC[C@@](O)(CC2CC(=C3CCC3)C2)C1	2061682347	KFRWFGCHTKGIGQ-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)(CC)c1nc2c([nH]1)[C@H](C)[C@H](C)CC2	2061878984	NHWWWEFDQZOZFC-VXGBXAGGSA-N	248.414	4.563	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063499816	CYUDLESDPWIWSY-MUJYYYPQSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC=C[C@@](O)(C[C@H]2CCC=CCCC2)C1	2063678708	TUMROGUCERBIPK-DOTOQJQBSA-N	248.410	4.620	0	10	BJAE	
CCCCCC[C@H](C)NCC1CC2(C1)CC21CC1	2064083070	MUNLDZJBYSHWFM-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C2CC(C)(F)C2)cc1	2065800293	FCDOSKBSTCSENC-OLQXHTCTSA-N	248.341	4.521	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)c1ccc(C(C)(C)C)cc1	2068822886	MVKQEKRWIZTHQR-BBRMVZONSA-N	247.426	4.666	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C(C)=CCC[C@H]2C)CCC1	2069278965	PRNZQNWOPYAERG-GDBMZVCRSA-N	248.410	4.908	0	10	BJAE	
CCCC1(CCC(=O)c2ccccc2C)CCC1	2069279835	BTEYLRRAXVPPRB-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
CCCC1(C[C@H]2CCNc3ccccc32)CCC1	2069342323	NNZYOTCRLYXKCP-CQSZACIVSA-N	243.394	4.946	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@@H]2CCC3(CC3)C2)CCC1	2071936455	NDJMKMHFNLHAHP-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H]1C[C@H]1C)c1ccc(C(C)C)cc1	2072076701	OSXFEUHFWQSVBQ-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@@]23CCCC[C@@H]2C3)C1	2074027288	ZTBUFDDOUDYQLE-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2C[C@@H]3CCCCCC[C@H]32)CC1	2074648282	HDZDTDPCIUGQJP-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]([C@@H]1CCCC(C)(C)C1)N(C)[C@@H]1C=CCCC1	2075084022	HTQNETZHDJMKGX-BZUAXINKSA-N	249.442	4.632	0	10	BJAE	
CN(CCC1=CCCCC1)[C@@H]1CCCC12CCC2	2075146873	RPICUIROUBWECB-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC(C)c1ccccc1[C@H]1CCCC(C)(C)C1=O	2076444323	WSZJWTCUEGKAPJ-OAHLLOKOSA-N	244.378	4.673	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2C[C@H]2C2CCC2)CC1	2079440780	CSZXNNZMOZHBOZ-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1C[C@H]1C1CCCCC1	2079531139	QJPWNTZSTXXPRP-XIRDDKMYSA-N	249.442	4.680	0	10	BJAE	
C1CCCC(N[C@H]2C[C@H]2C2CCCCC2)CCC1	2079533129	WEMVCPAKOJEMJF-IRXDYDNUSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2079842464	OEVBVWHDIOOPPR-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C1(C)CCC2(CC2)CC1	2079853446	UYRRDYOSITVRMC-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]2CC[C@H](C1)N2[C@@H]1CCCC[C@H]1CC	2084509286	ABXAQXKJYQTQFJ-NQNKBUKLSA-N	249.442	4.608	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1ccc(C)cc1C	2086054593	TWHHADCBVORPKS-CXAGYDPISA-N	247.426	4.910	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@H](C)C(C)C	2215000954	NUTMCTZRRDVFDN-NSHDSACASA-N	249.785	4.895	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)CC1(C)CC(C)(C)C1	2215386826	QLAWUTWDQQTECW-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CN)CC1(C)CC2(CCC2)C1	2215398162	KBZRIWXTORPDJS-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccc2c(c1)SCC2	2216741197	SPPFMGKOQMUXMK-GFCCVEGCSA-N	249.423	4.571	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218323806	ZIWVBXFGRUWFSP-CFAJVAMVSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@H](N)[C@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218350411	LIJLTHQABAQUEO-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1CCC2(CC2)C1	2218727095	SWHHPMQXBODPMT-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(N)CCC(C3CC3)CC2)C1	2218896356	HKYXRSIUDLUWIP-AKBUMOGYSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCC1CC1)c1ccc(C)c(C)c1	2220031914	ZIOARCXAGBYIMV-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)CCCCC1CC1	2220039662	RJRWFPNDLDBRDQ-IAGOWNOFSA-N	246.394	4.512	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@@H]2C(C)(C)C)CC2(CCC2)C1	2221002123	QHDCTGOWCGVBPP-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CC[C@H](C)CC2)CC2(CCC2)C1	2221006575	MHPOLWTWUAGMEA-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)C2CC3(CCCC3)C2)C1	2221025711	OBFZSYHXSSILDE-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CC(C)(C)C1)[C@H]1CC=CCC1	2221041772	UTVAZAFEGSJORA-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)c1c(C)cccc1C	2222013705	KUMJCWCYDKCVKJ-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC2CCC2)CC12CCC2	2223560911	RFLXANDKRZLJOH-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1cccc2ccoc12	2224182848	YHSQOVIGFXDXIU-DOMZBBRYSA-N	245.366	4.520	0	10	BJAE	
CCC[C@H](CC)CNCC(CC)(CC)CC	2244779458	XMCLWKBSVDIOKY-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CCC[C@H](CC)CNc1cccc(C)c1C	2244802633	WVOKCWRBVWREEV-AWEZNQCLSA-N	219.372	4.542	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@H](O)C(C)C	2244846828	HZETYYBZSGIDBQ-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CCC1CCC(C(=O)CC2(C)CC(C)C2)CC1	2246524971	FPWBYAXJERNOPD-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C)CCC[C@@H]1CCCCC12CC2	2246627012	OCMACFMXQZBCMI-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(OCCCC[C@H]2C[C@H]2C)c(C)c1	2247117201	CMGOAKMDSVVHHI-HIFRSBDPSA-N	232.367	4.509	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)CCCC[C@@H]1C[C@H]1C	2247166526	PPYLQPTVDYCMLY-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)CCC1CCCC1	2247173698	DIAVQBXVMMBGOY-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H]1CCC12CCC2	2247443693	VZQDNZIIFQUHPO-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccccc1C(C)C	2250379715	UVILZMXHNWPWJH-BBRMVZONSA-N	233.399	4.636	0	10	BJAE	
CCCC(O)(CCC)CC1CC2(CC(C)C2)C1	2250445789	QACOLDJKENSASF-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H]1CCCNCC1	2250469180	LWVGPRDMQDUXEY-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC(F)(F)[C@@H](N)CC[C@@H](C)CCCC(C)C	2250480458	GBXHAWVPLCTBRK-STQMWFEESA-N	249.389	4.602	0	10	BJAE	
CN[C@H]1[C@H](CCCCCC(C)C)CCC1(C)C	2251724635	YYTXPBRJYSVXGI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@H](N)CC[C@@H]2CCCCC23CC3)C1	2253861625	FSBALEGDZHLIQY-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC([C@@H](N)CC[C@@H]2CCCCC23CC3)C1	2253872064	YYXPZRBGVLHESL-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC[C@@H]1CCCCC12CC2)[C@@H]1CC[C@H](N)C1	2253889247	KEIJMPDGQSULRD-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@](C)(N)C2CC3(CC3)C2)C1	2253994860	HLANACWKSQEWSZ-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC(=O)CC1CC2(CCCC2)C1)C1CC1	2254113208	NDOZMVLQKAZVKF-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)[C@H]1CCCCC12CC2	2254543548	MDLZMFHIEVVMPB-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@@H]1CC1=CCCCC1	2255091675	MREHTQPARMAYQK-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](C[C@H]1CCCC12CC2)C1CCCC1	2255231693	CAKRDSLLGCBIIW-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@@H]1CCCC12CC2	2255330344	MNNGXVPUIKMPMA-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(F)c1NC[C@@H]1C=CCCCC1	2256114200	HFXVLBBOVIFKFQ-CYBMUJFWSA-N	247.357	4.546	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN[C@@H]1CCCC12CCC2	2257311640	NHJQZULIOVTZSP-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(NCC(F)=C2CCC2)c1	2257904969	FEMZRQHNANSXOW-UHFFFAOYSA-N	247.357	4.804	0	10	BJAE	
FC(CNc1cc(C2CC2)ccc1F)=C1CCC1	2259108839	UWSSLBNGIKTRDC-UHFFFAOYSA-N	249.304	4.523	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)c1ccc(C)cc1C	2259455121	QXKMZVLEXNCXAS-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CCC[C@H](CC)CN[C@H](C)c1cc(C)ccc1C	2259463759	OEFFSZVVENZGQU-CVEARBPZSA-N	247.426	4.780	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccccc1C1CCC1	2259479331	YAIODKKGSPPWME-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@]12CCC[C@@H]1CC2	2260516380	MMLNIFMOTRNPLV-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC1CC(CCC(=O)CC2CC(C3CCC3)C2)C1	2261514449	PYWLNZPYONFMHT-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)[C@@H](C)CC1CC1	2298859000	STJJFYJRFZIJPY-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(CCC(CC)CC)[C@H]1CC1(C)C	2300679268	RHXXJCLRJZVDHL-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@H](NC)C1(CC(C)C)CC1	2300702550	XKRSEKDYGFGNKE-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(=CCC1(CN)CCCC1)CCCC(C)C	2300870402	UCXDFXAOTNNADE-UHFFFAOYSA-N	237.431	4.668	0	10	BJAE	
c1sc([C@H]2CCCC23CC3)nc1CCC1CC1	2302269608	UKIOUCNTHNRAQJ-CYBMUJFWSA-N	247.407	4.533	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)c1ccc(C2CC2)s1	2302615194	JWZWMLLMAPPVFF-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@H]1CC[C@H]1C(C)(C)C	2303445173	OYCFACCRYBVDEU-QWHCGFSZSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](C)C(=O)C12CC(CC(C)C)(C1)C2	2304432686	WVYOFOYRVNDQHN-IUDNXUCKSA-N	236.399	4.598	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@H](NCCCC1CCC1)C2	2308399939	GXBDPSNWWFPCCM-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313180592	FBTBXJGEFJVSSS-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](N)(c1ccc(C)c(CC)c1)C(C)(C)C	2314699152	GYOFZNOPLOVRHO-KRWDZBQOSA-N	247.426	4.558	0	10	BJAE	
CCC(CC)CC[C@H](N)c1coc2ccccc12	2316246282	RYHHZVHDLHQBAB-HNNXBMFYSA-N	245.366	4.649	0	10	BJAE	
CCC(CC)CC=C1CCC[C@H]1[C@@H]1CCCCN1	2316251770	KLVBWTLBUDCBPX-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC[C@](N)(CC)c1ccc(C)cc1	2316277137	GWSGRXCVFSHLOC-QGZVFWFLSA-N	247.426	4.775	0	10	BJAE	
C(=C1CCCNC12CCCC2)C1CCCCCC1	2316886885	YQSKONXKINHPAN-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
O=C(CC[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2317005872	ACHLFFKCXWXNEF-DZKIICNBSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@@H](C)C(C)C)c1ccccc1	2317631277	WVWFXYUOJOLZSP-UXLLHSPISA-N	247.426	4.798	0	10	BJAE	
CCc1ccc([C@H](C)N[C@@H](C)[C@@H](C)C(C)C)cc1	2317663501	HEWUAJJYRJEWGZ-KKUMJFAQSA-N	247.426	4.580	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)CC1CCC2(CC1)CC2	2318932618	WWNUUFAAFMEGSJ-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2CC3CC2C3)cc1	2318960719	OWARJXATFBDPTK-QTISTPMNSA-N	243.394	4.658	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CCC23CCCCC3)C1	2319327291	VAOMUNUBDATNJJ-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC[C@H](C)C[C@@H]2C)CC1	2320325906	AMJIRKFUAUWDDU-KKBVYLPWSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CC[C@@H](N)C2CCCCC2)CC1	2320411370	JGSZYLCQLSLKCY-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@@H]2C[C@@H]2C2CC2)CC1	2320412079	HPPDBZGICBYGJY-FRFSOERESA-N	246.394	4.518	0	10	BJAE	
CN[C@H](C[C@H]1CC[C@@H]1C)c1cccc(C(C)C)c1	2320516762	KJVSSYDLYLKFJG-YSVLISHTSA-N	245.410	4.507	0	10	BJAE	
CCCC1(CC(=O)c2cccc(C(C)C)c2)CC1	2320575439	ZXLFHEFEBJEBMQ-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCN(C1CCCCC1)[C@H](CC1CC1)C1CC1	2320779282	NDMWRXJVUPBNSY-QGZVFWFLSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](O)c1cc(C)ccc1C(C)C	2327676687	BDKJZUVDDKLVJS-JKIFEVAISA-N	246.394	4.588	0	10	BJAE	
Cc1ccc2[nH]c(-c3ccc(F)c(C)c3)cc2c1	19725764	NRLFDDCIXJOWDT-UHFFFAOYSA-N	239.293	4.591	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2C[C@@H](C)CC(C)(C)C2)c1	21813463	FQCMMWOKZNONII-ZBFHGGJFSA-N	245.410	4.930	0	10	BJAE	
CC(C)c1ccc2nc(Cl)cc(Cl)c2c1	22010981	GOUDMUNDCZXWHC-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CCCc1ccc(-c2cc3ccccc3[nH]2)cc1	36163524	SFECZZYOWGSSAP-UHFFFAOYSA-N	235.330	4.787	0	10	BJAE	
CC[C@@H](C)N[C@H](C)c1sc2ccccc2c1C	37186589	KHXPZQSMIZJVCF-ZYHUDNBSSA-N	247.407	4.659	0	10	BJAE	
CCCC[C@@H](CC)CO[C@@H](C)c1ccc(N)cc1	40909162	LMEXPEXDAKAJLE-UONOGXRCSA-N	249.398	4.563	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)c1ccoc1	70414433	UEMIKHOIMROXDP-DZGCQCFKSA-N	237.387	4.537	0	10	BJAE	
CCCC1CCC(O)([C@@H]2CCC[C@H](C)C2)CC1	71153167	GZPKCYMRTBAVQW-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@H](C)C2)cc1	80428160	LPSBRFOGTIXAFU-XJKSGUPXSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@@H](C)CC	82562497	PJASZZHNAFEVBP-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CC(=O)c1cccc(-c2cc(Cl)ccc2C)c1	82709005	OZYWNZQPBDCKQM-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
Cc1ccc(C)c(-c2c(C)cccc2Cl)c1	85389129	HBKWOTJJRGTYSE-UHFFFAOYSA-N	230.738	4.932	0	10	BJAE	
Cc1ccc(NCC2CCC(C)CC2)cc1C	89575531	IPHOEXVRPMCMMG-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)c1cscc1C	94247393	XVFWVGWFXISKRL-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCCCC1(C)C	94274152	RSKCDEAJFZEVQO-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H](CC)N[C@H](CCC)c1ccccc1	103987315	BBCVMAKYGGTCDM-HZPDHXFCSA-N	233.399	4.696	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C1CCCCC1	109726775	CLAJYSINPJQONM-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC1CCCCC1	125893636	LXBMBRZILMHSMY-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@@H](C)CC	133513861	KALRNHLABAQCLN-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc([C@H](C)N[C@@H]2CCC[C@@H](C)CC2)c1	160188578	SAOPVHSNMUCCQI-UKPHBRMFSA-N	245.410	4.614	0	10	BJAE	
Cc1ccc([C@H](C)NC[C@H](C)C(C)(C)C)cc1C	162607653	DWONTKPQWIYLIW-GJZGRUSLSA-N	247.426	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(C)CC[C@H](NCC)C1	164702770	MKKUXNMMYCKDKJ-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CC(=O)C[C@@H](C)CC(C)(C)C	168027026	FXDCIOKVXFYEDE-QWHCGFSZSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)C[C@@H](C)CC[C@@H]1C	222355024	FCPDBJIULLPERS-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C)cc([C@H](O)[C@@H]2CCCCC2(C)C)c1	226910652	NYVCADOSDIDQQU-HOTGVXAUSA-N	246.394	4.553	0	10	BJAE	
Cc1sccc1[C@H](N)C[C@@H](C)CC(C)(C)C	227913967	IGKKYVZGYIVZMU-ZWNOBZJWSA-N	239.428	4.519	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCCC2(C)C)c1	232229844	RIGPPCPTRZWYSI-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
CC[C@@H](C)c1ccc(Oc2cccc(F)n2)cc1	232341605	JUFQTOPIAPPROB-LLVKDONJSA-N	245.297	4.527	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Oc1cccc(C)c1C	234042818	KRDDAJQPTZWUIS-GOEBONIOSA-N	232.367	4.651	0	10	BJAE	
CN[C@H](c1cc(C)cc(C)c1)C1(C)CCCCC1	234489358	KFEIIBFNKMLXMD-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H](c2c[nH]c3c(Cl)cccc23)C1	235386382	ILWDGWITVWIDGB-NXEZZACHSA-N	233.742	4.725	0	10	BJAE	
CC(C)c1nc2c(Cl)c(Cl)ccc2s1	238166159	GQHAKXQOMSNOHX-UHFFFAOYSA-N	246.162	4.727	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1N	250838063	WFNXSDYSHJHOEX-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](C)C(=O)c1ccccc1	252902642	NCXKITWURZDIIO-SQWLQELKSA-N	244.378	4.722	0	10	BJAE	
CSc1ccccc1N[C@@H]1/C=C/CCCCC1	305996442	MVVFDVFGMWRQAM-OMDQHUAHSA-N	247.407	4.709	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)[C@H]1CCCC[C@H]1CC	306042583	SEFUZSAFESTJCF-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CSc1csc2c(Cl)ccc(S)c12	307534106	IRZJWHREJUIWCX-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1cc(SC)c2sc(Cl)cc2c1	307574326	HHBLJJFYJGIVRT-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1csc2c(SC)c(Cl)ccc12	307672221	WKGITFSVGMIYDA-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)CC1(C)CCC1	310555473	YCTRUPHWWNXIQP-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
c1cc(N[C@H]2CCCC23CCCCC3)cs1	313016811	UVZMJMYIRPMXBJ-ZDUSSCGKSA-N	235.396	4.663	0	10	BJAE	
CC(C)(C)NC[C@H]1C[C@]12CCCC21CCCCC1	313026171	FSYIEXAKDDAUMZ-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H]1CCCc2ccccc2C1=O	319742162	SLZLZLRQPWCJKH-YDHLFZDLSA-N	244.378	4.504	0	10	BJAE	
CC[C@H](Nc1cc(Cl)ccc1C)C1CCC1	322410110	VRLVTBSXPRXFIX-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
CCCNC[C@@H](C)CCC/C=C\c1ccccc1	324096250	CKLKHAJLZFDGAI-UBAGTECSSA-N	245.410	4.506	0	10	BJAE	
CCNCC/C=C(\C)C[C@@H](C)C1CCCCC1	382416371	MIDRIDINGLLZEP-AAWPKVBNSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1cccc(Cl)c1F	384655640	VCFHTULUOLGMIO-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CC1CCC([C@@H](O)C2(C)CCCCCC2)CC1	394612106	SPGQZHOZHJDIQX-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H]1CCCC[C@H]1C	395061586	VGECOAVBDTYDJR-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCc1c(F)cc2ccsc2c1C(F)(F)F	396307071	YMRUKYCZRCGMMO-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@H](C)C1CCC1	398700265	SSSDBXMFLUZCGY-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)CC1(C)CC1	401390939	JVSNIAMJWUXIHN-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2CC=CCC2)CC1	402351889	MTFDTSJZIDRGOS-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](Nc1ccc2c(c1)CCCCC2)C(C)C	404782932	RICCBHMIWYMCGK-KRWDZBQOSA-N	245.410	4.802	0	10	BJAE	
CC[C@H](C)c1ccc(OCCCC(F)F)cc1	688776754	FMOGPQNDGZRGEL-NSHDSACASA-N	242.309	4.624	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)CC1CCCC1	689833058	XLNKCTNCVCGHJJ-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CCSc1cccc(NC[C@@H](C)C2CCC2)c1	690129814	JRXPGGOQTQJIMF-GFCCVEGCSA-N	249.423	4.647	0	10	BJAE	
CC1(C)CCC[C@@H]1Nc1ccc(C2CCC2)cc1	690162304	SGCXPLRQPLOOLK-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCCC[C@@H]1C	691130776	ZLZITXVQFNACCD-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
C[C@@H](CC(=O)[C@@H](C)C1CCC1)C1CCCCC1	692768203	BANKWOMWTFQPJZ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)c1ccc(C)cc1C	695098030	JXJQUVUKTFLUOD-CABCVRRESA-N	247.426	4.779	0	10	BJAE	
C[C@@H]1CC(CNCCC2=CCCCC2)C[C@@H](C)C1	695354661	PGVXEHHIRGHWCW-GJZGRUSLSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCC[C@H]1CNC(C)C	696806909	PQVYBNORTRAQPQ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](CO)C1CCCCCC1	696860703	GEMOGFRXNWHDHO-HNNXBMFYSA-N	226.404	4.536	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C1(C(C)C)CC1	697652445	BHTDZOVLYXGWIP-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C1CCC(N)(CC2CCC2)CC1	703888675	PXOBELBIWGJDBO-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](N)(CC)C[C@@H](C)C1CCCCC1	704973288	OWNBGFXAPXQWLT-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](/C=C1/CCc2cc(N)ccc21)CC(C)(C)C	709088417	REIKMTRWKKBZLQ-VWLVURMCSA-N	243.394	4.671	0	10	BJAE	
CCC1(CN[C@H](C)[C@]23CCCC[C@H]2C3)CCCC1	709156565	VHLCDWLUWOJBSF-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCCC12CCCC2)C(C)(C)C	710731117	PRZVNGDOOBBJBW-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C[C@H](NC)c1ccc(C)cc1)C(C)(C)C	711055707	VBFLOPSIQWXCIV-CVEARBPZSA-N	247.426	4.718	0	10	BJAE	
CC[C@H](C(=O)CC(C)(C)C(C)C)c1ccccc1	713370471	DGAJXWVLUFHHFX-HNNXBMFYSA-N	246.394	4.822	0	10	BJAE	
C=C/C=C/CCCCCc1ccccc1	713745574	KRRZUDRAXQBGKC-ONEGZZNKSA-N	200.325	4.532	0	10	BJAE	
CC/C=C/C[C@@H](CCC)c1ccsc1	714552044	QARRQGDTQVFPGL-BTDICHCPSA-N	208.370	4.988	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@]1(C)CC1(C)C	717035589	PKYHJPRZLDNVJZ-KRWDZBQOSA-N	245.410	4.832	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCC=CCCC1	719016033	XWTUPJFGIANTAL-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	722883385	ZLVZWWPAMBNXIR-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1C[C@@H]1CC)NCCC	723093091	DIAJPZFHKQCREK-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2C[C@H]3C=C[C@H]2C3)cc1	829367870	KWBGMAAHIVLIGI-RPCCPQHDSA-N	241.378	4.577	0	10	BJAE	
CC(C)=CCC[C@H](C)NC1CCC2(CCC2)CC1	1621346328	VMMWIYLCZWGCDB-HNNXBMFYSA-N	249.442	4.824	0	10	BJAE	
CCC1(C)CCC(NC2C[C@H]3CC[C@H](C2)C3)CC1	1653143058	FKSHMWZSXICOPL-JPQBHMHHSA-N	249.442	4.514	0	10	BJAE	
C[C@H](SCC(C)(C)C)c1ccccc1	1656549437	CHEFWARNKZJSQM-NSHDSACASA-N	208.370	4.527	0	10	BJAE	
CC(C)(C)C1=CCN(CCC2CCCCC2)CC1	1657379156	PONKCHZWPIURHJ-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
C[C@H]1c2ccccc2CN1C[C@H](C)CC(C)(C)C	1659600998	QTXZMBLXCAZOJY-KGLIPLIRSA-N	245.410	4.636	0	10	BJAE	
Cc1sccc1-c1csc(C(F)F)c1	1889534422	AFGKINGGXIINFI-UHFFFAOYSA-N	230.304	4.723	0	10	BJAE	
CCC(CC)CCC(=O)CCC1CC(C)C1	1900690345	FPRRSFHDTHXNDD-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCC[C@@H](C)CC1	1900899581	CEKHAJYSAMCVJY-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
FC(F)CC12CC(CC3=CCCCC3)(C1)C2	1903415896	TZYSGAFXUISJPD-UHFFFAOYSA-N	226.310	4.702	0	10	BJAE	
CCCC[C@H](C)c1nc([C@H]2CC2(F)F)cs1	1904863247	RFQBQZXWTWHBHI-DTWKUNHWSA-N	245.338	4.559	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C(C)(C)C1CCC1	1911791528	FPCWTSDJLZZZMQ-MRXNPFEDSA-N	249.442	4.703	0	10	BJAE	
CC=CCCc1cc(Cl)cc(Cl)c1OC	1911811853	ORPMWNVCJMPYKZ-UHFFFAOYSA-N	245.149	4.511	0	10	BJAE	
CC(C)CCCCC=C1[C@@H]2CCCN[C@H]2C1(C)C	1911890736	WFSFZANQHIFJNK-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
NC1(CCC2CCCCC2)CC2(CCCCC2)C1	1912725569	CUCGKTUGIDQZRY-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1CC(C(C)C)C1	1921266825	QRZXPUGSJYSSBN-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)C1CCCCC1	1924078018	JMEXSONITBMSFR-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1	1924134136	AGPINBKLDMOWET-XNISGKROSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@@]1(C[C@H]2C=CCCCC2)CC1(C)C	1925757047	KNVZENHRTWBWKW-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@H]1C=CCCCC1	1925783964	CACDUJUKOATPOZ-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@@H]1C=CCCCC1)NCC	1925905086	ZMPFCXNXPOSIAB-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1ccsc1Cl	1928717944	JENLIJLJCOIKQE-MWLCHTKSSA-N	246.803	4.507	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)c1cc(C)cs1	1939444555	QOHSWKLPWVUYJG-TZMCWYRMSA-N	239.428	4.533	0	10	BJAE	
CC1(C[C@@]2(O)CCCCC2(C)C)CCCCC1	1940407074	ICPDKJKXUDGQFR-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)CCNCC(C)(C)C1CCCCC1	1940759560	FJGFIZLPSFMTLT-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCC[C@H]2CC2(C)C)CC1	1940871981	IRCSQOIFYWBTKE-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(NCCC[C@@H]2CC2(C)C)c(C)c1	1940873746	RKRIVAVGLHRVIC-CQSZACIVSA-N	231.383	4.542	0	10	BJAE	
c1cc2cc(N[C@@H]3CC[C@H]4CC[C@@H]43)ccc2s1	1941027069	HFAKFIRWWASMEW-DDTOSNHZSA-N	243.375	4.502	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1(C)CC(C)(C)C1	1941989810	ZNLOXWWXAVLTFX-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)(C)C)C(C)(C)C(C)C	1944673920	RIVQDBHZQUYQHP-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cccc2sccc12	1945956324	FRTLVFLZAXOZIN-NHYWBVRUSA-N	247.407	4.727	0	10	BJAE	
Cc1ccccc1N[C@H]1CCCCC12CCC2	1947877943	CGIBJEFLJGPRKO-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
CCCC(CCC)[C@H](CCC(C)(F)F)NCC	1947989316	XQDKLMBQKMBKPH-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C1=CCCCCCC1	1948952277	WQLMWJHJWTXXKZ-GOEBONIOSA-N	237.431	4.811	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@H](N)CCCCCC1CC1	1949080431	QDHYZGNBKVFMCN-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC(C)C)C(C)(C)C	1949826371	GPCLBYBQYZNIHS-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C[C@H](N)CC1CCCCC1	1949907339	MOTFMDCUVUZRCU-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CCCC2CC2)CC1	1950917021	CPZJNCYOJCWGPJ-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC=C[C@@H](C)Cc1ccc(OCCC)cc1C	1951308621	KGZIMKZBILSHPL-CQSZACIVSA-N	246.394	4.929	0	10	BJAE	
CCCC1CCC(c2csc(Cl)n2)CC1	1960981139	ICVNJDIPHYBUGL-UHFFFAOYSA-N	243.803	4.870	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)c1	1968341127	IILZDZJZGVJESF-NFFDBFGFSA-N	249.373	4.617	0	10	BJAE	
C[C@H](NCc1ccccc1C(C)(C)C)C(C)(C)C	1969945527	ZTODQBRCHNUXEH-ZDUSSCGKSA-N	247.426	4.508	0	10	BJAE	
CCC(CC)(CC)NC[C@H]1CCCC2(CC2)C1	1970612047	ISJWGRMETWBWSE-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H](C)C12CCC(CC1)C2	1973843589	GPBBJQREJRZZCT-JCAIJIATSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(CF)cc1	1982838923	JNCOTUHSCGPTTK-ZDUSSCGKSA-N	223.335	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1(CC)CCC1	1988426205	WHGOLHRRRPOEEY-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](O)CCC[C@H]1CC[C@H](CC)CC1	1989808793	XYAGBXWHXGFWJH-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@@H](C)CC(C)C	1990815554	AUHNHSVFRDLHEN-AWEZNQCLSA-N	227.436	4.568	0	10	BJAE	
CCC(C)(C)CN(C)CCCCCC(C)C	1990844961	FJDLWCCGGBBQCA-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CC1(C)CC[C@@H]1c1nc(C2CCCC2)cs1	1995498153	KUQCKLBKKMQHIO-LLVKDONJSA-N	235.396	4.704	0	10	BJAE	
C[C@H](NCC1CCCCC1)C1(C)CCCCC1	1995989683	AIFQVDJVURTXPE-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C(=O)CC(C)C)C1CCC(C)(C)CC1	1996550545	YZMQWEVVVROGRB-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC1CC(C(C)(C)C)C1	1998260457	MPCCGYHCWSYOOD-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@H]1CCC=CCCC1	1999999644	VAAFCPQLLFIAFY-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCCC1([C@H](C[C@H](C)C(C)(C)C)NC)CCC1	2000323462	XYVXEYKWHUGTMF-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(C)(C)CC)C1(CCC)CCC1	2000390949	SHZVVRJFSRXGAG-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCCN(CC(C)(C)CC(F)F)[C@H](C)CC	2000900761	QRCYVXBQQRYTGN-GFCCVEGCSA-N	249.389	4.568	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(O)CC2(C)CCC2)C1	2003022222	SOPQYICYPKHKQF-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@H]2CCCCCC[C@H]2O)CC1	2003101681	XRRNLWSWGJHVJV-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CCC2(CC2)C1)C(C)(C)C	2003277714	MZUFNYIDWQLESL-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC1(C)CCC(NC2CCCCCC2)CC1	2004340508	AWSGDHIMWDOVGV-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H]1C[C@H](O)C[C@H](C[C@@H](C)CC(C)(C)C)C1	2006653840	UYTNHFBNOZOIGY-BARDWOONSA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)CC[C@H]1O)C(C)(C)C	2009420128	NEEPPKQWWZPPLZ-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CC=CCCC[C@]1(CNC)CCCCC1(C)C	2009630302	VOSHLPYPDWFLMX-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CC=C(CC(=O)c2ccc(Cl)cc2)CC1	2010599616	FFSSUMJIOCTXIA-NSHDSACASA-N	248.753	4.659	0	10	BJAE	
CCCCC[C@@H](NCCC)C1=CC[C@@H](C)CC1	2010615038	YPEKLXOPIQTIPY-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
Cc1cccc(Cl)c1NCC[C@]12CCC[C@H]1C2	2010994282	FAZZDNUOOLGLEY-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCNC2(CCC2)C1	2011863532	VXKRDEVNAAHNIP-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011952880	FAMZIDZLRAMLBD-QKDCVEJESA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)NC1[C@H](C)CCC[C@H]1C	2013322857	RDDVEHSCMWYOCW-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
Cc1cccc(N[C@@H](C)C2(C)CCCC2)c1C	2014339879	WKZBOEZFSNRONI-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
CC(C)C(CC[C@H]1CC[C@@H](C)CC1=O)C(C)C	2015390597	NNLKQDPARZLPQK-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@H](C)C(C)C	2015399228	MINBGEWDJZPUOF-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@@H]1C[C@H](C)C(C)C	2015409051	NSUGLBAOQRWTAZ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC[C@H](C)C(C)C)CC1CCCCC1	2015410751	DJFWJEXXGPERNG-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(C[C@H](O)CC2CCCCC2)CCC1	2017112045	IWMXCBNSPRIBHJ-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C(C)=C(C)C	2017484948	BSLPUHWKTROAJV-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H](CC)CC1)C(C)C	2017729234	UPEXKKGBEHZRBM-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](CCC(C)C)NC)CC1	2017729327	VOCKYJBHNPEWFQ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@H](N)C2CCCC2)CC1	2017730835	LIJPTZYRWGXKCL-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(CCCC(=O)C(C)(C)C)CC1	2017775084	XEEGTODCFJXORT-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](CC)[C@H]1CC1(C)C	2018075705	WJNLCQXIXULYIB-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)Nc1snc2ccccc12	2018081922	VYCZGCMAIAWEJD-NSHDSACASA-N	248.395	4.677	0	10	BJAE	
CCCCC[C@](N)(CC)C1C[C@H](C)C[C@@H](C)C1	2018132314	YEZDFGPUEJTSBF-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]1[C@H]([C@@H](C)CCC)CCCC1(C)C	2020363392	IRVSPFYXMWQBGV-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC[C@@H]1C[C@@H]1C(C)C)NCCC	2022496505	SFYGBTHHJUAWNR-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@@H](N)CC2(C)CCCCC2)C1	2025418669	HXCMJQOVNVYYPT-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCC)C(C)=C(C)C	2026058187	CJHDVYRKKOEJBM-GOEBONIOSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@@H]1CCCC[C@H]1C	2026166742	MCTMSKVSOZIUJE-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCC(F)(F)CC	2026168399	ZULCKVVHKOQFDE-STQMWFEESA-N	249.389	4.746	0	10	BJAE	
CC(C)c1cccc([C@@H](O)CC[C@H]2CC2(C)C)c1	2027813253	USXRNDBMNLYYTE-HOTGVXAUSA-N	246.394	4.670	0	10	BJAE	
CCCc1ccccc1[C@@H](N)CCC(C)=C(C)C	2027903857	QYZCECCFDPGUEM-KRWDZBQOSA-N	245.410	4.775	0	10	BJAE	
CNC[C@]1(CC2(C)CCCCC2)CC=CC[C@@H]1C	2027927510	YGCJHRWSGVEKAL-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CC[C@H]2CCCC[C@@H]2N1	2028633609	KHBORQKNYDZDJY-ZACQAIPSSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)c1ccc(C2CC2)cc1	2029081666	VXZBYKTZQHKHIU-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CC(C)(C)CC2(CC2)C1	2032509148	HWCLUGPJCWKBJG-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(NCC2CCC(F)CC2)c(C)c1	2032530565	WMPONCPPVRREBG-UHFFFAOYSA-N	249.373	4.552	0	10	BJAE	
CCCC1(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)CCC1	2033061802	XMCAETJDCWCZEP-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C23CCC(CC2)C3(C)C)C1	2033434228	BLVUWPUTPQSAPM-YFTKNLTDSA-N	248.410	4.598	0	10	BJAE	
O=C1[C@H](CCC2CCCCC2)C[C@@H]2CCCC[C@@H]12	2034264571	QWTKHKNOLXYOPL-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCCC(C)C)c1cccc(C2CC2)c1	2036357412	BJPZYIBZINOAER-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(CC2CCC=CCC2)C1	2037208335	VGROZWPVDZZFOE-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](N2CC[C@H]2C2CCCCCC2)C1	2037680018	WCGBYUFTLHXHHV-HOTGVXAUSA-N	249.442	4.610	0	10	BJAE	
CN[C@H](CC1=CCCC1)[C@H]1CCCC(C)(C)CC1	2039383999	GCAHJKCGTAGOCF-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC1=CCCCC1)NCCC1=CCCCC1	2043189657	CPXKMCKBNBFUGA-OAHLLOKOSA-N	247.426	4.746	0	10	BJAE	
CCC1(CC)CCN(C[C@H]2CCC=CCCC2)C1	2045310472	DFCASDLYIWOUBE-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC[C@]1(C[C@H]2CCC=CCCC2)CCCCCN1	2045323885	QASUKPSPMJSELI-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@H]1CC(C)=C[C@H](C)C1	2045693496	AYDABODPRLLDBA-IAOVAPTHSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@@H]1CC(C)=C[C@H](C)C1	2045780064	ROCQZQPAGZUZCP-RRQGHBQHSA-N	249.442	4.537	0	10	BJAE	
CCN(C[C@@H]1C=CCCCC1)c1ccccc1C	2046570750	LLTPDPCOYDHLIH-MRXNPFEDSA-N	243.394	4.568	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@@H]2CCC23CCC3)C1	2048610217	HGKDFKHXUVZWFI-MOKVOYLWSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@H](C)NC[C@@H]2CC=CCC2)CC1	2049418306	PMVAXJUGNMKRTD-ORBLRFAASA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@@H]1CCCC2(CC2)C1	2049844878	FJSSWCLZIDLSSI-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@]1(CC2CCC3(CC2)CC3)CCCN1	2049853871	IDAQAJBWXVYNIL-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@H]1CCC2(CC2)C1	2049855980	PTTBOKNQFBJKEV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@]1(CCC2CC2)CCCCC12CC2	2053362324	ZKOXMTGFZQIMOI-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(N[C@H]2C=CCCC2(C)C)CC1	2055531777	JTTVCGNBNUMVTA-GPANFISMSA-N	249.442	4.680	0	10	BJAE	
CC1=C[C@H](NCC(C)(C)C2CCCCC2)CCC1	2055549445	KLLXOCKCWWHHMQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)C1CCC(N[C@@H]2C=C(C)CC2)CC1	2055843531	AIVWPWSFGHJYER-GPANFISMSA-N	249.442	4.680	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@@H](N)C1=CCCCCCC1	2056451760	PKIMMUIAHRXSIE-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H]1CCC[C@H](C)C1	2056880105	ZMKFJBZVLRJBLY-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@H]1CC12CCCC2	2059179198	ZIOBUBCZOKZKHX-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@H](N)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	2059180370	JZOGWMLIFDHAIT-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCCC)c1cc(C)oc1C	2059258799	JQGWQSFUPASCMO-MRXNPFEDSA-N	249.398	4.684	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2CCC3(CC3)C2)C1	2059492545	POMDXNFGCPDKJA-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@H]1CC1(C)C)C1=CC[C@@H](CC)CC1	2061148883	YLAVSTKRONBRIW-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1CC(=C2CCC2)C1)[C@H](C)CC	2061725003	AEZQLIXYHOXDMA-DYVFJYSZSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CCC[C@H]1C[C@@H]1C	2062605925	AQTANCQDRRSCIH-QBYUYEEZSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H]1C[C@@H](CC2CCCC2)CC2(CCC2)C1	2063637923	OLGPSTRZZLZDAH-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@@H](CC)c1occc1C)C1CCC1	2063682729	ZVHZAOFJCFVAEQ-GJZGRUSLSA-N	249.398	4.598	0	10	BJAE	
CC1(C)NCCCC1=C1CCC(C(C)(C)C)CC1	2068175472	KVQQHHGXXKQOBJ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)c1ccc(C2CCC2)cc1	2068234164	UIZVWNIINWBROC-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCCCC1	2068710191	IFHAYUISCRNTFE-RBVVOMGSSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@H](C)CC(=O)[C@@H](c1ccccc1)C(C)C	2068983818	IFCMVENBKNRXDW-RHSMWYFYSA-N	246.394	4.678	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@@H]1CC)C1=CC[C@@H](CC)CC1	2071509612	CVHGSHCWFNDKET-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C[C@](C)(N)[C@]23CCCC[C@@H]2C3)CCC1	2071951606	ZKFFCDCILVLHEP-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1cccc(C(=O)CC[C@@H]2C[C@H]2C)c1	2072097161	YEVDVMIIDOLZOA-UKRRQHHQSA-N	244.378	4.504	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCC[C@H]3CC[C@H]32)CC1	2072801659	PTIHNAJTWOESTM-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@H]2CCNC3(CCCCC3)C2)CC1	2074131608	CQILJKHIXDFWNZ-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1	2074626244	IWHIWBZKOKBPGF-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCCCC23CCC3)CC1	2074650038	ZOXSCLMALWKRNQ-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCCCC2(CCC2)C1	2074898184	AYPRAHYXUFPHOB-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
C1=C[C@@H](Nc2cccc(C3CCC3)c2)CCCC1	2075371024	UHKRKHHGKROWLG-MRXNPFEDSA-N	241.378	4.865	0	10	BJAE	
CCCCc1ccc(C(=O)CCCC2CC2)cc1	2077920057	HGSVEHHPYJWHOW-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1ccc([C@@H](C)CC)cc1	2079476628	RLPZLGVQLZCCLR-APHBMKBZSA-N	244.378	4.819	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]1C1CCCCC1	2079529252	LIMAXZOOFSRQJE-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCc1ccccc1[C@H](C)NCCCC(C)(C)C	2081222229	HHJGBXKUCIXIKS-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@H]2CCC[C@H]1C2)C1CCCC1	2086212828	VVDLGHWBEHYXMJ-HJWJTTGWSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC(=CBr)C1	2209082014	VRGHHEAYIBUESY-SNVBAGLBSA-N	231.177	4.502	0	10	BJAE	
CCC1(CC(=O)c2scc(C)c2C)CCC1	2210576441	FRCYTSYAAOBGMG-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)c1scc(C)c1C	2213656591	TWKUCZRVJIAERB-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1(C)CC(C)(C)C1)NC	2215402890	WTANNOLHSRPTIK-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CC1CCCC1)CC1C[C@H]2CCC[C@H](C1)C2	2218361382	MWNPNZVTGYACIV-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(CN)CCCCC12CCC2	2220878880	OJMALYCFNNLTSC-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](CCCC1CC1)C1(C)CC2(CCC2)C1	2221001965	JGXMRSLXGURYAI-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1(C)CC2(CCC2)C1)C1(C)CCCC1	2221022028	CEJJHCCLKIQSBF-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)C2=CCCCCCC2)CC1	2221627682	VOHZIHHFGCZNLL-IRXDYDNUSA-N	247.426	4.731	0	10	BJAE	
CC[C@H](NC[C@]1(C)CC=C(C)CC1)[C@H]1CC1(C)C	2221643081	LYYNMEBPRMLQPB-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@H](CN[C@@H]2CCCC[C@@H]2C(C)C)CC1	2221669476	XOINUTJRUDSZIP-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@H](CNCCCCCCCC2CC2)CCC1	2223119527	OMOJUHNLWMBFFO-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)[C@@H](C)c1ccc(C)cc1	2223966534	ABHMDBSMTWCONO-HOCLYGCPSA-N	247.426	4.513	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)c2ccsc2)C1	2242764096	UVHBMRQNNDQKAT-NWDGAFQWSA-N	236.380	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cc(C)cc(Cl)c1	2244782898	OOEPKBHUNXBASA-RISCZKNCSA-N	240.774	4.508	0	10	BJAE	
CCCNCC(CC)(CC)CC1(C)CC(C)C1	2246530423	COXHINMFMCOOLM-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)[C@@H](N)CCC[C@H]1CCCCC12CC2	2246623988	AMHBEKJJKCORBM-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H]1CCC1(C)C)NCC	2247447555	MYOCVLDAWBOOQY-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@@H]1CCCNC1	2250476184	VPCQVLUXDVDGBS-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CNC(C)(C)[C@H](F)CC[C@@H](C)CCCC(C)C	2250481059	JOPFOXFPTCYBHO-UONOGXRCSA-N	245.426	4.565	0	10	BJAE	
CNCC1(CC[C@@H](C)CCCC(C)C)CCC1	2250529076	OVVXBJUENUHOMH-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C1CC(CC(C)(C)C)C1	2251532671	ZTVOYBKNIPDJBQ-PPWQZUPISA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)C(=O)CC1CC(CC(C)(C)C)C1	2251583277	UQVSGWFUXCOZQJ-HSBZDZAISA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC)[C@H]1CC(C)(C)CCC1(C)C	2251677806	ISKVQZRZYFLGJN-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCC(C)(C)C2=O)CC1	2251725197	UBTSQOYRWZZOIY-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(-c2nc(C)c(CC(C)C)s2)c1	2252740767	RPSFHAMWYFGFOV-UHFFFAOYSA-N	245.391	4.625	0	10	BJAE	
CC1CC(C)(C[C@]2(N)CCC[C@@H]3CCCC[C@@H]32)C1	2253653228	CFHVOIYMSOSJRH-LAYQYYCJSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C1CC1)[C@@H](N)CC[C@H]1CCCCC12CC2	2253823890	PDMKFDIPZBLAOA-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)CC2=CCCCC2)CC1	2255144054	PRWNQLQHYOUAAO-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](NCC[C@@H]1CCCC12CC2)C1CCCC1	2255247312	QJEYSOGDBNRHLT-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCCC12CC2)C1(C)CCC1	2255280182	ACSVJVGDSNTBPZ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN1CCCCC12CCC2	2257297864	HOTBGMRHOTVPPZ-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
N[C@@H]1C[C@H]2CC[C@H]1C[C@@H]2CCCCCCC1CC1	2257310993	KGXMSUHBTWROIZ-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)c1ccc(C)c(C)c1	2259451275	CLOGLAUAGZBRKX-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CCn1cc(C2CC2)cn1	2259608998	SFFAJUIDXTXVJP-AWEZNQCLSA-N	248.414	4.613	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@]12CCCC[C@@H]1CC2	2260540474	NZDCOPVPLZWEFH-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@@]12CCCC[C@@H]1CC2	2260549945	QSNZSETYTJWOCO-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@]12CCC[C@H]1CC2)C1CCCC1	2260602646	KUYXOWRMPWSCTD-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CCC(=O)C[C@H]2C[C@@H]2C2CCCC2)C1	2261508603	KUORFSFKGPDXPJ-IDQHFDBOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CC[C@@H]1CCC[C@H](C)C1	2298256265	DSRHLNPQJLPNOT-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CCCc1ccccc1O[C@H](C)CC1CCC1	2298878022	HYBTUZXZXXJRQZ-CYBMUJFWSA-N	232.367	4.597	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H]2CCCC[C@H]2CC)N1	2300184675	JHNMJFOHGIXRRN-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CCC[C@@H](CC)C1	2300678528	LGAOFFMMMFZCRZ-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1(C)C(C)(C)C1(C)C	2300691459	UNNBHFLCCZEUFK-CYBMUJFWSA-N	240.431	4.636	0	10	BJAE	
CC(=CC[C@@H](O)C1(C)CCC1)CCCC(C)C	2300864131	XPTNTAADAGXBFX-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
CCC(C)=CCc1ccc(F)c2ccccc12	2300865783	RNBOIKUTMZFVKR-UHFFFAOYSA-N	228.310	4.878	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@H]1C[C@H]1CC	2300898671	HBXGKMGTPXLMFI-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCSc1ccccc1N[C@@H]1[C@@H](C)C[C@H]1C	2300943154	UCIQUHIVQXCMDT-JYAVWHMHSA-N	249.423	4.645	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@@H](C)C(C)(C)C	2301141196	WUKRZUNLJBOGND-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]1CC[C@](C)(CC2CCCCCC2)C1	2301141602	AWJZGNXTWQDCPQ-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)n1ccc2cccc(F)c21	2301839245	XYDNGFQDSRZTDE-VXGBXAGGSA-N	233.330	4.634	0	10	BJAE	
CCCCC[C@@H](CCCC1=CCCCC1)NC	2302361385	MNDHTEMGQYHRFL-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)CCCCC1CC1	2302578467	ZTFVBASQHZXTAI-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1CCC(C)(C)C1)NC	2302674762	DUMQLWKDDILDSX-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)C[C@@H]1CCC(C)(C)C1	2302710144	NSEFHDNLBBFUHT-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@](C)(CNC(C)C)C[C@@H]1CCC(C)(C)C1	2302711305	XVQGRXGGGSCZGF-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@@H](NC[C@H](C)CC(C)(C)C)CC1	2303458971	MNDYJJGKFDICKX-DOMZBBRYSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@]1(C(=O)O)CCC(C)=C(C)C1	2303471283	ZLABYDQXYZIQPW-OAHLLOKOSA-N	238.371	4.548	0	10	BJAE	
CCNCC(C)(C)CC[C@H]1CCC(C)=C(C)C1	2303594536	IPGJAPUIXXQETI-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CCC2(O)CCCCCC2)C1	2304398106	AUMNDCYQBPLYNA-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@]2(C)CC2(C)C)C1	2304435049	GLCKFGBKBBKGIL-BLLLJJGKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@H]1CCC(C)(C)C1	2307826292	KYMRCDKTQYPATF-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCC[C@@H]3CC[C@H]23)CC1	2309518708	ZISXBENZDDMZSJ-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC[C@@]12CCC[C@@H]1C2	2310382861	SGUNPYIRUQMRJW-HZMVEIRTSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@@H]2C[C@H]2C2CCCC2)C1	2311526029	PDEBOAGBXJRSFW-LUYZLQTOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)[C@@H]2C[C@H]2C2CCCC2)C1	2311526281	ZSVWUOQJGSZDPD-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CCC(=O)CCc1cccc(C)c1	2316243667	RBTUEPXPROMHRO-UHFFFAOYSA-N	246.394	4.713	0	10	BJAE	
CC(=CCN[C@@H]1C[C@H]2CCC[C@@H]21)CCCC(C)C	2316491708	PFOOFVVLBKVTAY-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@@H](NCCC)c1cc(C)c(C)cc1C	2316502457	KMCRLAXAVGOEIM-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CC(=CC[C@]1(N)CC=C(C)CC1)CCCC(C)C	2316527247	ZLGQNGWVICAAFZ-KRWDZBQOSA-N	249.442	4.977	0	10	BJAE	
CCC(C)=CC[C@H](N)c1ccccc1C1CCC1	2316536214	LAZGIOZXUUIELQ-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CC(=CC1CCCCCC1)c1ccc(CN)cc1	2316883350	HRAQYCNMNGLEPH-UHFFFAOYSA-N	243.394	4.519	0	10	BJAE	
Cc1ccccc1[C@H](N)CCC1CCCCCC1	2317015054	FGWGJXQUDZWIJY-QGZVFWFLSA-N	245.410	4.745	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@H]1C=CCCCC1	2317968943	JKRGIJBHBYITKN-DLBZAZTESA-N	248.410	4.764	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@@]12CCCC[C@H]1C2	2318573264	PODJUDPPEKCNGT-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
Cc1cc([C@@H](O)CCCC2=CCCCC2)c(C)o1	2318573604	UILMEYKWTWDMJW-INIZCTEOSA-N	248.366	4.601	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C23CCC(CC2)CC3)C1	2319137070	YSSPQAOFFPUONE-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H]1CC[C@@H]1C1CC1)NCC	2319587158	GAOREYRZKOPUAU-KTGDWTQYSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](NC[C@H]1CCC(C)=C(C)C1)[C@@H]1CC1(C)C	2320230413	HCRAESHQNBPGAA-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CC(=C[C@H]1CC[C@@H]1C(C)(C)C)C1CCC(N)CC1	2320311234	MRSWEAMWFGNSRA-KNIAUWFNSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1C[C@@H]1C	2320387773	JVSHGAKTBKSHFX-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@H]2CCC(C)(C)C2)CC1	2320394410	PIXUWKHJCPJHNM-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](NC[C@H]2CCCC(C)(C)C2)CC1	2320411587	KNHIZOPVMLBWJN-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@@H]1CCC(C)=C(C)C1	2320422691	IMFZMSBZAVBVJU-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H]1C[C@H](C)c2ccccc2N1	2320455531	HPMZJDAGUGBFSM-GBJTYRQASA-N	243.394	4.801	0	10	BJAE	
CCC[C@H](CC)[C@H](N)Cc1cccc(C(C)C)c1	2320659741	HAXSCMIHEXRMIA-DOTOQJQBSA-N	247.426	4.506	0	10	BJAE	
Cc1cccc2c1ccn2[C@H](CC1CC1)C1CC1	2320694932	FFZKDNUJFQZDQK-QGZVFWFLSA-N	239.362	4.701	0	10	BJAE	
Fc1ccc2c(ccn2[C@H](CC2CC2)C2CC2)c1	2320697816	RLVSFGDDHSYJLU-MRXNPFEDSA-N	243.325	4.532	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)C=CCC(C)(C)C2)C1	2321609998	BRVXXWFMWRQGEI-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)c1ccc(C)cc1C	2328283743	ZXPJSIIJWCCLMZ-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cccc(C(F)(F)F)c1	19232660	FEBKFBZRSABTKQ-VHSXEESVSA-N	245.288	4.552	0	10	BJAE	
Cc1ccccc1CNCCCCCCC(C)C	19995497	JWHLADGYDIZUBP-UHFFFAOYSA-N	247.426	4.691	0	10	BJAE	
Cc1cc(C)cc(NC2CCCCCCC2)c1	20565671	OZVNATKDFVXEOP-UHFFFAOYSA-N	231.383	4.828	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cccc(C)c1C	21515487	AAVMABISOKRKEF-DOMZBBRYSA-N	233.399	4.930	0	10	BJAE	
Cc1ccc([C@H](C)NC2CCCCCC2)c(C)c1	21813172	LJHWBJYDWBBHQQ-HNNXBMFYSA-N	245.410	4.677	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H](C)C2(C)CC2)cc1	36953514	OJLMIDBEIBTUIV-CHWSQXEVSA-N	231.383	4.801	0	10	BJAE	
CCCc1ccc([C@H](C)N[C@H](C)CC(C)C)cc1	37261006	HZJRWGAZWGUIDL-CABCVRRESA-N	247.426	4.724	0	10	BJAE	
CCCCCC[C@@H](C)NCc1cc(C)ccc1C	70136881	HPLZBSUDXBRSPX-MRXNPFEDSA-N	247.426	4.752	0	10	BJAE	
CCCC[C@@H](CC)NC1CCC(C)(C)CC1	70655277	PNZWZNOEXJFADS-CYBMUJFWSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CC[C@H](O)c1ccccc1	80479920	OWBWNJGLODMOBE-VYDXJSESSA-N	246.394	4.717	0	10	BJAE	
CCCCCC(C)(C)CNC[C@H](C)CCC	87399088	LRUACTFUSVJGIA-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC)CNCC(C)C	104007396	ISRUTSLRKZSBMM-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
C/C=C\C[C@@H](C)c1cc(Cl)ccc1OCC	107582333	ASNMLDRTBAJRAJ-VLWUPBBWSA-N	238.758	4.808	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)C[C@@H](C(C)(C)C)CN2	109608887	DWLPBWIMKHZXLO-CQSZACIVSA-N	245.410	4.614	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCC1CCC(C)CC1	109963487	COHRQZZEURISRU-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCCNc1ccccc1Oc1ccc(C)cc1	110310256	LDNSTWHNBDRRRR-UHFFFAOYSA-N	241.334	4.609	0	10	BJAE	
CCC/C=C(/CC)c1cc2ccccc2[nH]1	117990775	GJTFYLXUKPLSNX-WQLSENKSSA-N	213.324	4.761	0	10	BJAE	
CCCCCC[C@H](NC)c1sccc1CC	124786366	HIJNSCPCGDTZQS-ZDUSSCGKSA-N	239.428	4.541	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@H]2CCC(C)(C)C2)c1	124992535	STKWMSNKTJEJAP-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
O=C(c1cc2ccccc2o1)C1CCCCCC1	127778197	QLCHFCVTFYMOQA-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
Cc1ccc(-c2cccc3ccccc23)c(O)c1	146336144	NNNYHOQAHUEYJT-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
CC(C)c1cccc(Br)c1C(C)C	149944976	UJGVMDDFRVIGIP-UHFFFAOYSA-N	241.172	4.696	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCC(C)(C)C[C@@H]1C	155864538	SFXUVZBPJHMTTJ-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H](C)c1ccc(C)cc1	159898312	STGMBWQVQBHKQZ-YSVLISHTSA-N	247.426	4.860	0	10	BJAE	
Cc1cccc(C(=O)C2C[C@H](C)C[C@@H](C)C2)c1C	165996894	GITDRXSYNRZUTA-VXGBXAGGSA-N	244.378	4.558	0	10	BJAE	
CCc1ccc([C@@H](C[C@H](C)CC)NC)cc1CC	167370373	JDIONISWGRIDCC-CXAGYDPISA-N	247.426	4.508	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@@H]1CCCCC1(C)C	226564170	BWBSFTADLOWDTE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(-c2ccc(N)c(Cl)c2)cc1	232153734	HJIUFQJOYKLDRY-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)C1(CCCCC1)CN2	232511833	ULWLYHNAMYSHCV-UHFFFAOYSA-N	243.394	4.612	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1C=CCCC1	232511890	KUQRBVHYUFETAW-CYBMUJFWSA-N	229.367	4.505	0	10	BJAE	
Fc1ccc2c(c1)[C@@H](CCC1CCCCC1)CN2	236251696	VADUKTDWLRRXSX-ZDUSSCGKSA-N	247.357	4.695	0	10	BJAE	
CCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1NCCC	251379841	RLILLXAIOGSKCK-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@@H]1CCCC[C@H]1CC	253049120	SIGUCONBRXKWAQ-QXSJWSMHSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	253123716	KCJFEERYDPAGFZ-ZOFXXKQRSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(NCCC2CCCC2)c1	302238433	BXMBMKLQZZOENX-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](CCC1CCCC1)NC	308055101	BQJBWXDTYFGCBF-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C1CCC1)[C@H](CCC)CC(C)C	308058289	SAPBCRXLUNQRKC-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)[C@@H](CC)CC(C)C	308095825	MCRJWEMZAZETOA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC/C=C(\CCC)c1ccccc1O	309057896	IITZFEIGHACWFL-JLHYYAGUSA-N	218.340	4.766	0	10	BJAE	
CCCCCNCC[C@H](C)CCC=C(C)C	310042204	ZGEVTTQMGBNZNV-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
C[C@H](C[C@]1(C)CCCCCN1)C1CCCCC1	310425459	PSBWXCSRLJOTTD-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc([C@H]2C[C@@H](C)c3ccccc3N2)c1	310754143	IZDVPKASRFHBCS-CXAGYDPISA-N	237.346	4.655	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H]1CC2CCC1CC2	310892879	UXRNFCQWYNULDM-IHTQCXBNSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@H]1CCC[C@H](C)C1	313459688	FWOTWECOFVTTNT-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCCCC2)CC[C@@H](C)C1	317492100	SXJPTQMFWOLZDS-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)[C@@H](C)C(C)C	319386245	KMMNWGVDJZBSRA-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@](O)(CCCCCC(C)C)C1CCC1	322266442	IWFYIHATDRAWTO-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](CCC2=CCCCC2)C1	385260258	YHYBQWPRWRIEND-JKSUJKDBSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1C[C@@H](CCC2CCCC2)c2ccccc2N1	385317779	HPIRQLZJCXBEIE-UKRRQHHQSA-N	243.394	4.945	0	10	BJAE	
C[C@H](CC1CCC1)Nc1cccc(C(F)F)c1	386170351	MQZFQZQMZFJQKJ-SNVBAGLBSA-N	239.309	4.615	0	10	BJAE	
CC(C)CCCCCNC[C@H]1CCCC1(C)C	389107937	MMTLWRFNNNBKAF-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCCC12CCC2	394744838	PPDSLTWVDKTEJA-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
Cc1cccc(N[C@@H](C)CC(C)(C)C)c1Cl	395030484	GYBMDMBUUAYVOG-NSHDSACASA-N	239.790	4.885	0	10	BJAE	
COc1ccc2sc(Cl)c(C(F)F)c2c1	396292072	TYRSKCWPWVYTMS-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@H](C)C(C)(C)C	399137125	XLVGTWZBJXLEEH-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H]1CCC[C@H](CC)C1	400464600	NJBJMUACFMCLIV-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](Nc1ccc2c(c1)CCCCC2)C1(C)CC1	404624479	BSTCQZIDVFNGOD-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
CC(C)(C)NCC1(CCCC2CC2)CCCC1	406021620	FACAAEZXOBCRCC-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)NCC1(C(C)C)CCC1	687274505	VOMMYPYMDNJEMG-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@H](C)C(C)(C)C	688949238	MDGMSWJQNGFOHK-BBRMVZONSA-N	247.426	4.753	0	10	BJAE	
CC[C@H](C)CNc1cc(Cl)c(C)c(Cl)c1	690294009	FGOVIHFUCJTIQD-QMMMGPOBSA-N	246.181	4.760	0	10	BJAE	
CCC(C)(C)CN[C@H]1CCCCC[C@H]1C(C)C	691165971	LFYLRIQPXLXWQC-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC1(CNC(C)C)CC(C)C1	691448654	IUKDGQDVUIPUKB-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1CC2CCC1CC2	691774065	FEQFZQVEVBBXPI-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](CC)C[C@@H](C)CC	695061884	PGRXWZJHBDSNEX-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
C1CCC(CCCN[C@H]2CCCC[C@H]2C2CC2)C1	696107316	UUUVMHRETXIRCW-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CNCC(C)C)C1CCCCC1	696852955	WKQNCHPTOAAGIM-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)C(C)(C)[C@@H]1CC[C@H](C)C[C@H]1N	701153479	GOBSJSPETFZESS-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@H](N)CCC1CCCCC1	701179477	FIZIHDVHXLRRKW-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)[C@@H]1CCCCC1(C)C	701253058	NWHTWSMXGVBTFP-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCC[C@@H]1CCOc2ccccc21	704737432	DGXANQNZFQIZFJ-CQSZACIVSA-N	230.351	4.689	0	10	BJAE	
C[C@H](C[C@H](O)[C@H](C)CC(C)(C)C)c1ccccc1	704750182	FIZMFVDVMWQUHW-FMKPAKJESA-N	248.410	4.613	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H]1CCCC12CC2	706202429	YIPFEAYKDAIUQU-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCC(N)(C(C)C)C(C)C	707547296	RGAUBANZZCXPJQ-UHFFFAOYSA-N	227.436	4.602	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(O)CC(C)(C)C	709125471	NORKXSTXVVVIFY-IUODEOHRSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H]2CC3CCC2CC3)C1	709436575	RJYRKXMMYZVUMJ-WNZFAQLISA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@]1(O)CCCC12CCCC2)C(C)(C)C	710731119	PRZVNGDOOBBJBW-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(O)CC(C)(C)CC[C@@H]1C	713259831	VKCRZGIQMPVVJC-XJKSGUPXSA-N	240.431	4.636	0	10	BJAE	
CCNC[C@H](CC(C)(C)CC)c1ccccc1C	713267601	NNKBNHYJAKRWBQ-HNNXBMFYSA-N	247.426	4.514	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(C2CC2)s1	716621319	DLEQGFJYPGDXLT-LBPRGKRZSA-N	238.396	4.629	0	10	BJAE	
CNC[C@]1([C@H]2CCCC[C@@H]2C)CCC=CCCC1	719045053	AJHATAULSLKQAV-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)c1cccc2ccsc12	722866916	BLCNFUJDYRGTKW-LLVKDONJSA-N	244.359	4.520	0	10	BJAE	
C[C@H]1C[C@H](NCC2CCC=CCC2)CC(C)(C)C1	1621079543	CLLMDFYAYHHHKK-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H](CC)CCC	1905453454	JSDWRDVVNLYXPE-CABCVRRESA-N	227.436	4.748	0	10	BJAE	
CCN[C@H](CC1CCCC1)C1CC2(CCCC2)C1	1912607105	OETMDOCYAOUFNK-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1Cc2nc3ccccc3c(Cl)c2[C@H](C)C1	1916087456	RUWFEICBZFYRNV-NXEZZACHSA-N	245.753	4.574	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H]3C[C@@H]3C2)cc1Cl	1917358526	QQSGXXBZIAERNF-YNEHKIRRSA-N	249.785	4.503	0	10	BJAE	
CCCC[C@@](N)(CC)c1cccc2ccsc12	1920136671	GZTAAYLLNYWKTO-HNNXBMFYSA-N	247.407	4.656	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@@H](C)CC(C)C	1920186791	IDBXLKYHGMRYOZ-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CCCC12CCC2	1921592856	QOHOFKRRZDEJDS-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC1(C)C(C)(C)C1(C)[C@H](N)C[C@@H]1C=CCCCC1	1925772671	NYIBPLNAIMRWLN-ZIAGYGMSSA-N	249.442	4.523	0	10	BJAE	
COc1cccc(CC[C@@H]2C=CCCCC2)c1F	1925842330	ADMIICRQWHRQGT-CYBMUJFWSA-N	248.341	4.513	0	10	BJAE	
CC(C)c1cnc([C@@H]2C[C@@H]3CCCC[C@H]32)s1	1936501247	VGVZWQTZTGSELF-QJPTWQEYSA-N	235.396	4.560	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1sccc1CC	1938204535	FYMFHPLIQJKCPW-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
CC(C)CC[C@H](C)CCC(=O)c1ccccc1	1942660690	UPQXSWWNJTYWPZ-AWEZNQCLSA-N	232.367	4.722	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@@H](C)CCC(C)C)C1	1942661958	OYCDUQLPIOHRFJ-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)CC(C)(C)F	1947080175	AKJUJGVBVBGBFO-ZDUSSCGKSA-N	245.426	4.709	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@@H]1CCC	1947455118	SGMRSOQLFBDLOP-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)N[C@@H](C)C1CCCCC1	1948324511	AKQNUDIMWRPEPU-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2CC(C)(CC)C2)C1	1948406867	GNNCQAAYQZGVKB-RNDNHVFHSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](O)CC2(C)CCC2)CC1	1950913972	LYCMVCBTMDFAQZ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CN(C)CC[C@H]1CCC[C@H](C)C1	1964262653	STFDNHWWUNPZDB-HRCADAONSA-N	239.447	4.571	0	10	BJAE	
CCCCC1CC(N[C@H]2CCCCC2(C)C)C1	1969954325	LRMWLJICFHXYGS-NRXISQOPSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CCC2(CCC2)C1	1970302525	KKIGFGVJBYLXHB-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)c1csc(C)c1	1970829822	RMHLTUKZCYYCOH-JSGCOSHPSA-N	239.428	4.676	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC2(C3CC3)CCCC2)C1	1970876285	GKDQBQUJGGEVGY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1N[C@@H]1CCC2(CCC2)C1	1971487227	FITJPBRYUGWRDU-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC1(CNC[C@H]2CCCCC23CCC3)CCCC1	1973671663	DDTYDBWTOWOVJP-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
C[C@H](NC[C@H]1CCCCC12CCC2)C1(C)CCC1	1973672984	OCPGRKFSFMEIMG-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@H]1C[C@H](CCC)CCC1=O	1984589152	MNPHJVUOTFSIGC-JRFBKZHLSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CCC)NC1CC(CCC)C1	1984691911	HJDAESMDMAZWRP-SLTAFYQDSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C[C@H](C)CC)NC	1995258254	CDKJIXCAFRMSII-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@H](C)CC(C)C)NCC	1996616215	KVCXFFHGOWQDIP-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@@](C)(N)CC1CC(C(C)(C)C)C1	1998239727	JPNAVYUQYFRDPK-ZBCRRDGASA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C(C)(C)C)C1(C)CCCCCC1	2000389328	BWGXZLMHZTUVAC-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CNCCC)CC1CC(C)C1	2000511704	DKOMYIYUMHPDTP-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@@]1(C)CC=CCC1	2001699004	NJEUDVFKEHUFJP-HNNXBMFYSA-N	249.785	4.807	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)CC2(C)CCCC2)C1	2003184072	GLHQZPOSOGZBAB-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CN(C)C1CCC(C)(CC)CC1	2004362477	FAGKXLFUTDHWIN-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](C)CNCC1(C)CCCCCCC1	2004936986	IMSMAYMYSARBTE-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@@H]1CCC[C@H]1C	2006757403	CTTSVFOEBJDBIC-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C[C@@H](C)CC	2007934252	IHMGVLDZZQIOGC-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)[C@@H](C)CC(C)(C)C	2007935368	SZONOOVICWGDMW-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCC(C)(C)[C@@H]1CC[C@H](C)CC1=O	2009576193	JDLFJJVLHFXFPZ-BUHQSOCUSA-N	236.399	4.764	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)C1=CCC(C)(C)CC1	2010712963	BWXGEPYATDUEKA-LSDHHAIUSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C1=CCC(C)(C)CC1	2010745067	WWGDFIPWHIJJBD-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC/C=C\CN[C@@H](C)C1CCC(CCC)CC1	2011037149	VFSVIZJZCZHCCV-SXHQIBLUSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@@H]1CCCC[C@@H]1C	2011182694	FZUBNXNEJHTVHK-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCCCCC12CC2	2011272338	QMDONZXYNBXCBA-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC1CCC(C)(C(=O)CCC[C@@H]2C[C@@H]2C)CC1	2011576123	JVYZTDKOGULFIA-IOSBVQAASA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(O)C1(C)CCCC1	2014323647	CITVPBIKDJHMNQ-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(O)CCCC[C@@H]1C(C)(C)C	2015284605	PDVWAPSEGOBMKI-IIAWOOMASA-N	240.431	4.636	0	10	BJAE	
CCCC1([C@@H](N)[C@H]2CCC[C@@H](CC)C2)CCC1	2015593663	FCOHDSVXNDOEPJ-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCC[C@@H]1CC1(C)C	2016148935	FGLPWRJXGKJLAP-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC1(C(C)C)CCC1	2017140652	JTBHQHDRHJQZNV-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC1([C@@](C)(O)C[C@H]2CC[C@H](C)CC2)CCCC1	2017649613	XVDIUQAVIFHNPZ-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC1CCC(CC)CC1)NC	2017720137	FREVXXPTWAGURT-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1C[C@@H]2CCC[C@@H]2C1	2018131392	SMMBKMFWKJHBEC-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCC1(CC[C@H](CC2CCCCC2)NC)CC1	2018985308	OLZXUBJGKGXCAA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCCCCC[C@H]2C)C1	2019199920	FSXLLMWFPIHCEQ-OAGGEKHMSA-N	237.431	4.610	0	10	BJAE	
CCCCCC1CC(N(C)[C@@H](C)[C@H](C)CC)C1	2019388495	GUZYAMYGXFYDKG-QVOMUQBLSA-N	239.447	4.712	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H](C)C1CCC1	2023331374	JWDTZRDBUBGCJL-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2CC(C)(C)CC2=O)C1	2024101910	NYVJPMQBJXZVBT-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@@H]1CC(CC)CC	2024117105	KIUGLUMVDNUQIE-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C)[C@H]1CC(CC)CC	2024508968	DJYSAFAGEXFGCS-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@H]1CCC[C@H]1C	2026144922	OVHHDBUEBFYTQU-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
CC1(CCC(=O)c2cccc3ccccc23)CC1	2027732935	SXLGKBQDOJGAOX-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)CC1CC=CC1	2027813786	ZECGUBNVPDEPNF-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
C(CCNC1CC(C2CCCC2)C1)CCC1CC1	2033785120	WOAYWCPCKPJZQM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H]1N[C@H](C)c1ccccc1C	2035418520	BCVKGLKAVGKFDX-HLLBOEOZSA-N	245.410	4.614	0	10	BJAE	
N[C@@]1(C[C@@H]2CC=CCC2)CCC2(CCCCC2)C1	2037161379	BHRMCFIEFLOQJF-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CCC1=CCCCC1	2037171003	AKGWDDCVFKACNR-ULQDDVLXSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@H]1CCC1CCCC1	2037223662	KFQZNGSCWYIMRI-ZFWWWQNUSA-N	243.394	4.802	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@H]2C=CCCC2)CC1	2037304878	JWLKJYFAQLDTIY-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1N[C@H]1CCCC2(CCCCC2)C1	2040764542	DQKGIRBBOMDWJR-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@H]2CC=CCC2)CC1	2041383332	MZDQIVFKGCXEKI-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC(N)(CCC2=CCCCC2)CC1(C)C	2042331454	BORKNILXTCAOEI-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)[C@@H]1C=CCCC1	2043187784	OJTLIYXRQTWTKV-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(C[C@@H]2CCC=CCCC2)C1	2045318713	XUQAABBWBKWEOK-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
Cc1ccccc1[C@@H](O)C[C@H]1CCC=CCCC1	2045335676	VFLXFOSGGMSRRH-RDJZCZTQSA-N	244.378	4.555	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCCC1)C1(C(C)C)CCC1	2045719085	OJQDAESSANPGIP-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H]1CCCC[C@@H]1CC	2045793595	IOTUVKHGBXVTFP-BBWFWOEESA-N	249.442	4.703	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@H]1C(C)=CCC[C@@H]1C	2045810545	OJIOZTLQUZMKGE-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@H]2CC23CCCCC3)C1	2049544707	VPDMODFBHCEWAY-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CN(C1CCCCCCCC1)[C@@H]1CC[C@@H]2C[C@H]2C1	2049782335	HKXUJWHKFBHUQD-HLLBOEOZSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)[C@@]1(C)C=CCC1	2050008166	SLWVOOWODDCYFV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CCC(C)(C)C[C@H]2C)CCC1	2055550417	BRYJFAIBMZWZQC-FVQBIDKESA-N	249.442	4.680	0	10	BJAE	
FCc1ccc(N[C@H]2CCCC[C@H]2C2CC2)cc1	2055670382	VTQYSUNKHPUYPZ-HOTGVXAUSA-N	247.357	4.537	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@@H]1CCC[C@@H](C)CC1	2056873150	KTBZUESXFGMXIY-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@]1(CNC(C)C)CCC12CCC2	2059253517	REZHGZNBIRPPKN-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1C[C@H]2CC[C@H](C1)C2	2059267900	SXXGJHFMDNFREZ-KADBJKQNSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N[C@H]2C[C@H]3CC[C@H](C3)C2)C1	2059487705	BQIJPFFKBDXKAJ-QZRVTLOJSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CCC[C@H](C)C1	2060923964	BEMOUHWTWFQGJS-XJNFMUPTSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C([C@H](N)C2(C)C(C)(C)C2(C)C)CC1	2061141471	VQEAXDLEDICRJU-ZDUSSCGKSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](C1=CCC(C)(C)CC1)[C@H](C)C1CCCC1	2061148932	YTLDKMTXCVGCEX-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@H]2CCCCCC2=O)CC1	2061192544	QBOZXXKRJGXTKN-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](CC2CC(=C3CC3)C2)C1	2061703583	GZXYOXPZGMVQRC-GOEBONIOSA-N	246.394	4.518	0	10	BJAE	
CC(C)[C@]1(CC23CCC(CC2)C3)CCCCCN1	2065312218	GEOZHBIOQHZLMW-OFLPRAFFSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)CN[C@@H](C)c1c(C)cc(C)cc1C	2066315504	ZFDDDPAJBHNLCY-WBMJQRKESA-N	247.426	4.699	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](N)c1cccc(C(C)(C)C)c1	2068838158	YCYFGJVTXMDTPH-XJKSGUPXSA-N	247.426	4.666	0	10	BJAE	
CCc1ccc(OCCC(C(C)C)C(C)C)cc1	2068989018	LUELCURPMOVHHA-UHFFFAOYSA-N	248.410	4.946	0	10	BJAE	
CC(C)C(C[C@@H](N)C1CC(=C2CCC2)C1)C(C)C	2069011803	TYZXQPQWPFMTGW-QGZVFWFLSA-N	249.442	4.523	0	10	BJAE	
CCCC1(C[C@](C)(N)c2cccc(C)c2)CCC1	2069343045	VTQKOPQZNHMKCL-INIZCTEOSA-N	245.410	4.529	0	10	BJAE	
CC1(C(=O)C[C@@]23CCC[C@H]2C3)CCCCCCC1	2070925721	JESJPJXGHJNVFX-YOEHRIQHSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1C[C@H]1CCN[C@H]1CCCC12CCCCC2	2071464822	HDKNMYKECUYFLY-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2071511994	RQCWEFNSADPRQO-OJLVUWQFSA-N	249.442	4.523	0	10	BJAE	
CCCCC[C@H](CC1CC2(C1)CC21CC1)NCC	2072235583	ALTLDEZBVKPHGH-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](CC)Nc1cccc(C(C)C)n1	2073293106	VBJJUEWLUSSGNF-AWEZNQCLSA-N	248.414	4.976	0	10	BJAE	
CCCC1(C[C@@H]2c3ccccc3NC[C@H]2C)CC1	2074637677	XURABROFFYKQBR-HIFRSBDPSA-N	243.394	4.802	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)Cc1c(C)cccc1C	2074919551	VNMLMJZOGONHME-HNNXBMFYSA-N	247.426	4.560	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2075565767	SHIZQZOJMCJMEA-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(NC[C@H]2C[C@@H]2C2CCC2)CCC1	2079279639	VJZJBIDXNQCWDM-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@H](N)[C@H]2C[C@H]2C2CCCCCC2)CCC1	2079426347	AJEOKLBNPROFSN-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](NCC)C1=CC[C@@H](CC)CC1	2079444169	SUXNAELUZAKYLI-MXASKKJJSA-N	249.442	4.537	0	10	BJAE	
c1ccc(NC[C@H]2C[C@H]2C2CCCCCC2)cc1	2079446052	HMWBKXSLKKLLRE-WBVHZDCISA-N	243.394	4.705	0	10	BJAE	
CC1(CC(=O)C[C@@H]2C[C@H]2C2CCCC2)CCCC1	2079852941	SWHBJJAXWXSTSM-ZBFHGGJFSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@]1(C)C(=O)C[C@@H]1C[C@@H]1C1CCCCCC1	2079854722	XMCULIDBSHLTAC-JWDQPFGJSA-N	248.410	4.598	0	10	BJAE	
CC(C)NCC1([C@H]2C=CCC2)CCC(C)(C)CC1	2081682360	UPBWLTSWKFNSET-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCCOc1ccc2occ(C[C@@H](C)CC)c2c1	2086606588	UZQNGEOSUHUOKZ-LBPRGKRZSA-N	246.350	4.810	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CCCCC1CC1	2211122804	XMJFVHXFBQZJGB-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCCCC1CC1	2214552184	KNUBGYDIFQIJLC-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](CCCCC2CC2)C1	2214578137	DPMQSHXFNIWTEC-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCc1ccnc2ccccc12	2214792348	YVOKJDFYGFJGPT-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H](C)CC(C)C)CC1	2215824911	YMLYPLPBCJJAQJ-GDBMZVCRSA-N	236.399	4.764	0	10	BJAE	
CCC(C)(CC)[C@H]1CCc2cc(C)ccc2N1	2217469211	RMVNIZCXSVYPFD-OAHLLOKOSA-N	231.383	4.548	0	10	BJAE	
N[C@@H]1CCCCC[C@@H]1C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218367661	SEBADABXJFICRF-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C/C=C/c1ccccc1	2219085974	PIOJEKQPMIJSBF-QSOAKEGCSA-N	245.410	4.634	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@]1(N)CCCC2(CCCCC2)C1	2220853699	SGTLPHPBGKKKCP-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(CN)CC=C(C)CC2)CC1	2221653468	IYKYMUKWIKVODY-ULQDDVLXSA-N	249.442	4.668	0	10	BJAE	
CCNC[C@]1(CC2CCCCC2)CC=C(C)CC1	2221668164	XYIFIYVGQUONSW-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C(CCCNC1CC2(CCC2)C1)CCCC1CC1	2223151877	GSJFACNYDYOETB-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C(=O)c2ccc3occc3c2)CCCCC1	2224145411	LQTYEKXEEIUNSQ-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCCNC[C@H](C)CCC[C@H]1CCC[C@@H](C)C1	2246727630	NUEUMNVEKQLNHA-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1cc2ccccc2s1	2246950276	WSXYZZRMNAITDX-CMPLNLGQSA-N	244.359	4.520	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@](C)(O)CC1CCCC1	2247129998	RTVNWQWDOQLMSA-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1CC[C@H](O)CC1CCCCC1	2247417396	PMCLQDLWOBNHRH-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)CCC1CCC1	2248817388	VJIQHTSTFAGCBM-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@@H](C)C1CCCCC1	2250372346	PFJHTVDXEFWCBC-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCCCC[C@@H]1C[C@@H]1C	2250407995	AIAAPVGDXJLBFE-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@]12CCCC[C@@H]1CC2	2251222586	QBZJYAVXRDFBDY-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCCCCNc1cccc(C2CCCC2)c1	2251230510	XPCXWHBBFPRVHQ-UHFFFAOYSA-N	231.383	4.946	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@H](N)CC[C@H]1CCCCC12CC2	2253821370	ZOUJBCRHGJZQLL-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](C)c2cccc(N)c2)C1	2253972154	WJKQKWXFKTYDHL-KFWWJZLASA-N	245.410	4.979	0	10	BJAE	
CCCN[C@@H](CC1CC2(CCCC2)C1)C1CCC1	2254123718	ZZCXCGYEGPUPNM-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C[C@@H]1CCC12CCC2	2254579388	NAQURLPZEBVYOL-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@]1(C)CC1(C)C	2255056035	YVWGGZRRUDMAFB-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C1CC(C)(CC)C1	2255065812	XIQJYYQFCTZGND-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1C[C@@H]1CCC	2255105503	TUQZWTJFBZLDKV-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H](C)C1CCCC1	2255133873	QKFRZLCQOZJZJS-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1CC1=CCCCC1	2255137227	NOOZUGXPLBLDIY-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1CC[C@H]1CCCC12CC2	2255268193	RIEDGLSUUOXJCH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc([C@@H](N)CC(C)(C)C(C)C)cc1	2256299030	ZOXNMIPTUAZYMV-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
C[C@@H](NCCCC1CCCCC1)[C@@H]1CC12CCC2	2256423304	CZBGTKKETGGUOX-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1(N)CCC2(CC1)CC2	2257362694	UDMXJQCXIYUGFO-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1cccc(C(C)(C)C)c1	2257905352	AMXZQSPSZNHABF-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cccc2ccccc12	2259438780	RCHXFIKTTPDUOA-CYBMUJFWSA-N	240.346	4.849	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)c1ccccc1CC	2259450760	AOENVULXHXYPEJ-WBVHZDCISA-N	247.426	4.726	0	10	BJAE	
O=C(CC[C@]12CCC[C@H]1CC2)CC1CCCCC1	2260574576	NPXWZHSIFQGAFZ-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
C[C@H](CC1CCC1)[C@@](C)(O)CC1CCCCC1	2298857464	HNYFWSRUANTHFT-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC(CC)CC)CCC1CCC1	2300675178	BROAHWQKODWZJE-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC=C1CCC(C)(C)C[C@H]1CN	2300675286	CVFRAKKPJNNVGQ-HNNXBMFYSA-N	237.431	4.524	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H]1CCCC[C@H]1CC	2300683317	IEPUFEPDEJPCNK-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CCC[C@H](N)c1ccc(C)cc1	2300683788	NFOJJHAWYVGLKG-INIZCTEOSA-N	233.399	4.601	0	10	BJAE	
CCC(CC)CC[C@]1(O)CC[C@@H](C)[C@@H]1C(C)C	2300684570	VZHROAFWIGGWOW-VNQPRFMTSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C(C)(C)C(C)C	2300685814	JHXHJKYMPXLYEX-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCCN(CCC(CC)CC)C1CCCCC1	2300688915	RVEUVFFAQBDGQQ-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCCC[C@@H]1CC	2300705507	FDYVWKBJYACDIP-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
CCC(C)=CC[C@]1(CNC(C)C)CCC1(C)C	2300864805	FOZJZAOPZGGJMN-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CC(C(=O)CC2CCCCCC2)C1	2301144750	HHWCNFPTKNTJKY-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@](C)(CNCC(C)C)[C@H](C)[C@@H](C)C(C)C	2301834133	WRMWBPVWMKBPML-ARFHVFGLSA-N	241.463	4.577	0	10	BJAE	
CC(C)C(CC[C@@](C)(N)[C@@H](C)C(C)C)C(C)C	2301934592	FXPNBPSSPZIKAW-GOEBONIOSA-N	241.463	4.704	0	10	BJAE	
CC[C@H](C[C@H](O)[C@H](C)[C@H](C)C(C)C)C(C)(C)C	2301951934	FKCFPRMDWKKEQJ-TUVASFSCSA-N	242.447	4.738	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@H]1CC(C)(C)[C@H]1C)C(C)C	2302168723	HSHMPQDBBIGEJQ-IHRRRGAJSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@H]1CCC(C)(C)C1	2302657012	HELJQKLIOOOBOW-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H]1CCC(C)(C)C1	2302676261	SXEYHFKFGKKUAH-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1CCC(C)(C)C1)NC	2302676630	WPUHXTCOLKLTSB-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@@H]1CCC(C)=C(C)C1	2303518555	AXFGPFPQZONNKG-CVEARBPZSA-N	237.431	4.633	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC(C)=C(C)C1)c1ccsc1	2303575217	IDMAGMIHPWGXEM-HIFRSBDPSA-N	249.423	4.535	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1CC[C@@H]1CCC(C)(C)C1	2304425822	PEDWNQAVTVNACC-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)CCC(=O)c1cccc(F)c1	2307748053	VNROIICBHHEXTB-GFCCVEGCSA-N	236.330	4.615	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CCCC12CCC2	2307822494	IIFLDZMNPUBBSS-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)C[C@@]12CCC[C@@H]1C2	2310894862	LYFVOTODWOANBJ-YQFWSFKMSA-N	249.442	4.501	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2C[C@@H]3CC[C@H]2C3)CCCCC1	2312876748	DAFNHJIHZQCUCV-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@@]12CCC[C@@H]1CC2	2313330621	MQEIONXSDPIMPF-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1ccc(C)c(CC)c1)C(CC)CC	2314696358	CYLLUDWJHABJIW-KRWDZBQOSA-N	247.426	4.644	0	10	BJAE	
C[C@@](N)(C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2316869335	GQCQMEGIEYAJSM-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1=CCCCC1)CC[C@@H]1C[C@H]1C1CC1	2317936038	JDLLWZHLDIEKCL-WBVHZDCISA-N	246.394	4.662	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CCC2)CCC(C)=C(C)C1	2320264978	DJZAREWNBCLSCV-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@@H]2CCC(C)=C(C)C2)C1	2320326127	CLLWJSJZWJDWEZ-BRWVUGGUSA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@](C)(N)C2CCCCC2)CC1	2320329931	JRWKZNAXHYUDGS-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2320416050	GZCPJUJNNIGZIF-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC(C)(C)C1)c1ccoc1	2321640976	ZXCSJXAFNBWLQF-UKRRQHHQSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H](c1cc(C)ccc1C(C)C)C1CC1	2327673742	SOHOAVNSQGBMCJ-QGZVFWFLSA-N	245.410	4.569	0	10	BJAE	
CC(C)CCCCC=C1C[C@H]2CC[C@H]1C[C@]2(C)N	2327772489	DTPPJDHFVNJSLZ-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCC[C@@H](C)C1	21813709	CWYMRFJTSHMUTI-KGLIPLIRSA-N	231.383	4.801	0	10	BJAE	
CCCCC[C@@H](N)c1cc(Cl)ccc1Cl	37378530	PTCBBXXJCPFCMT-GFCCVEGCSA-N	246.181	4.574	0	10	BJAE	
CC1CCC(CCN[C@@H](C)c2ccccc2)CC1	70538353	CKZJQRZERPIOBG-PCKAHOCUSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](C)CC(CC)(CC)CNC(C)C	71128042	ZLKYMMTXUPUGSU-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C3CC3)C2)cc1F	81624209	DXCAZHRSKVAYEL-KGLIPLIRSA-N	247.357	4.515	0	10	BJAE	
c1ccn(NC2CCCCCCCCCCC2)c1	91784275	UUEQNJHERFMWJQ-UHFFFAOYSA-N	248.414	4.705	0	10	BJAE	
CCN[C@@H](C(C)C)[C@@H](C)c1ccc(C(C)C)cc1	92599516	RFQHFLCDVMWFMO-YOEHRIQHSA-N	247.426	4.548	0	10	BJAE	
CC1=C[C@@H]2C(=CC1)[C@@H](C)CC[C@H]2C(C)C	96014253	JUQGWBAOQUBVFP-YDHLFZDLSA-N	204.357	4.581	0	10	BJAE	biogenic,in-vitro
CCCC[C@H](CC)C[C@H](CNCC)CC(C)C	110182930	MGSATJHUHWCSDQ-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1CCC(C)(C)C	112869692	DJMZKEBMZYLPHB-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H](C)C(C)C	124760453	RDLCGVUVMZPBKQ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H](C)CCCC(C)C	128600808	ZUXAANIFZIXNKT-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccc(C(C)C)cc1	148078989	VWKHSJDPZADOKR-INIZCTEOSA-N	234.383	4.670	0	10	BJAE	
Cc1cc(N[C@@H]2CCC(C)(C)C[C@@H]2C)ccc1F	155945403	YZFVATSHGQVNEQ-SWLSCSKDSA-N	249.373	4.761	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)c1c(C)cc(C)cc1C	162080234	ZGKCFOGEBWRSAD-LRDDRELGSA-N	247.426	4.699	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)c1ccc(C)cc1C	162226034	LZMFFRSECQEVRN-DYVFJYSZSA-N	247.426	4.780	0	10	BJAE	
CCCNC[C@H](C1CCCCCC1)C(C)(C)C	162339458	UESVWXAQZCFPPP-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](CCC1CCCCC1)CCC(C)(C)C	163346536	YHRZTELMJZPTOU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Clc1csc(-c2ccccc2C2CCC2)n1	167281371	KBDHJSRXZHGFJO-UHFFFAOYSA-N	249.766	4.731	0	10	BJAE	
CCC[C@@H](C)C/C(C)=C\CCNC(C)(C)C	212004984	PEAIISRFLXANCE-JFBXQDQPSA-N	225.420	4.537	0	10	BJAE	
Fc1cccc2[nH]c(C3CCCCCC3)cc12	216614662	VPQWWSKOTDNFPF-UHFFFAOYSA-N	231.314	4.745	0	10	BJAE	
CC(C)C[C@H]1CCC[C@H](N[C@H](C)c2ccco2)C1	230773734	PSZUDIQCLXZMBD-KFWWJZLASA-N	249.398	4.535	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCC[C@@H](C(C)C)C1	230986299	IJWKTRKGXZZMBM-HIFRSBDPSA-N	249.373	4.761	0	10	BJAE	
CC1CCC(c2ccc3c(c2)CC[C@H](C)N3)CC1	232823610	SKEJLJSXKGUFNW-MOKVOYLWSA-N	243.394	4.727	0	10	BJAE	
CCCC[C@@H](CC)c1c[nH]c2ccccc12	232997928	VTTGGRITVYSIHA-GFCCVEGCSA-N	215.340	4.852	0	10	BJAE	
Cc1c(Cl)sc2c(Cl)cccc12	238479656	OJMYUOHNMVTJPG-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@H]1CCC[C@@H](C)C1	251288508	HGGFZYCMBQIBBB-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H](C)c2cc(C)ccc2C)C1	251466538	BBIDOZQACDGVIK-BZUAXINKSA-N	245.410	4.533	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H](C)C(C)(C)C	253177379	AVZGPFXEAGUUEW-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
C=C(C)c1cc(Cl)cc([C@H](CC#N)C2CC2)c1	260709599	UQRKFIBVOJHBNK-OAHLLOKOSA-N	245.753	4.780	0	10	BJAE	
CCc1ccc([C@H](O)CCC(C)(C)C)cc1CC	302382926	OMXUQDBQXLGHRM-MRXNPFEDSA-N	248.410	4.671	0	10	BJAE	
CCCC[C@](CC)(CCC1CCCC1)C(=O)O	304123342	CBNKMUXJBVDUHH-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CCCC(F)(F)C1	304150444	HAKRFKCEYHXOOX-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@H]1CCCCC1(C)C	305974195	ZMCYIVUUEFYGNJ-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCc1cc(N[C@@H](C)c2ccsc2)ccc1C	306056358	VMHVKTNPNMLJPU-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CSc1cc2sccc2c(Cl)c1C	306839881	ZUAOSBQPGRVPBV-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CSc1c(Cl)ccc2sc(S)cc12	307229132	KYBNLQVEWRVALE-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCOc1ccc2sc(Cl)cc2c1Cl	307396527	RTMXBZYCDDULLG-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
C[C@H]1CCC[C@@H](CNCC(C)(C)C2=CCCC2)C1	308760617	XGDHXWMXPZRFLQ-LSDHHAIUSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc(NC[C@@H](C)C2CCCCC2)cc1	311226769	RGHSJLYEMXGTKJ-CQSZACIVSA-N	245.410	4.877	0	10	BJAE	
CCCN[C@H](C(C(C)C)C(C)C)[C@H](C)C(C)C	319307679	JMXCBNMFMSMPMB-ZBFHGGJFSA-N	241.463	4.575	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cc2ccccc2s1	319648623	FBJCORHTPYJHCL-GHMZBOCLSA-N	246.375	4.766	0	10	BJAE	
CC[C@@H](N[C@@H](C)c1cc(C)cc(C)c1)C1CCC1	324945051	RUSGYOZEBZATLF-WMLDXEAASA-N	245.410	4.533	0	10	BJAE	
Cc1ccc(N[C@@H]2C=CCCCCC2)c(Cl)c1	379848936	JNHGJSUPJGKMBZ-CYBMUJFWSA-N	249.785	4.949	0	10	BJAE	
C/C(=C/C1CCC(C)(C)CC1)C[C@@H]1CCCCN1	380998287	HDALBKOALSGXRT-HECSCLNYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](C2(N)CCCCCCC2)C[C@H]1C	383211742	XSUSKQZKAJNCFB-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@@H](C)C[C@H]1C	383276665	ZVTOTBOREQCMIH-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@@](C)(O)Cc1ccc(C(C)C)cc1	385412414	SQSAADHIIIFLMM-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
CC[C@H]1CCC[C@](O)(c2ccccc2C(C)C)C1	385730843	OPTCTUZERAKYTO-WMLDXEAASA-N	246.394	4.598	0	10	BJAE	
C1CCC(C[C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1	385961407	FJKJZTGCVPMALQ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](C)C1N[C@H](C)CCC(C)(C)C	386298275	VBJOOVJAJHDFFI-MELADBBJSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CCC[C@@H](C)CC1	391178393	OTBIMSVQRIFDPB-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@@H]1CCC[C@@H]1C	394144365	NMWSPNYMSGIFMW-LXZKKBNFSA-N	245.410	4.507	0	10	BJAE	
CCCNCC/C=C(\C)CCCCCC(C)C	394758802	AAQVOLNUYFAVAI-FOWTUZBSSA-N	239.447	4.929	0	10	BJAE	
CC[C@](O)(CC1CCC(C)CC1)C1CCCC1	395689894	SXXLUNRUCRMTJZ-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCc1cc2c(CC)csc2cc1SC	396176211	FBUDWYXDBMSYJS-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1csc2c(CC)cc(SC)cc12	396178193	QWVWVBFBCPSAIB-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cc(CC)c2ccsc2c1CC	396206798	NWQNVBSUCRIERS-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
COc1csc2c(Cl)c(C(F)F)ccc12	396298904	YZOXXALBNTXNDG-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC[C@@H](N[C@H](C)CCC1CC1)c1ccc(C)cc1	398049155	VIFDALNEKXXSQS-RHSMWYFYSA-N	245.410	4.614	0	10	BJAE	
CC(C)c1cccc(NC[C@@H](C)C2CCC2)c1	398620958	JXXNXAOAWYJELA-CYBMUJFWSA-N	231.383	4.658	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)[C@H](C)C(C)(C)C)cc1	399189404	VIJIMYRIDJSOPG-XEZPLFJOSA-N	248.410	4.916	0	10	BJAE	
CC(C)CCCCCC1(O)CCC(F)(F)CC1	688346301	HGGGVAUZTCCRLR-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)CC1CCCCC1	689831843	OJYCLNDAISGTBA-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CCC(C)(C)C[C@@H]1C	695101569	VZBNWJJWPQYBJP-MELADBBJSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCC1CCC2(CC1)CC2	695737745	KPXFWHPUBFGLRH-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)[C@H]1CC1(C)C	696561613	OIKFXSSQKUFUSE-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@](CCC(C)(C)CC)(CNC)C1	696802261	JWDMUTZANRVJDE-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)Oc1cccc(NCCC=C(C)C)c1	697753282	VIURZDCQTZXPCE-CQSZACIVSA-N	247.382	4.632	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1CC[C@@H](C)C1	697759658	RRKMDUOJDWVILA-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CCC(C)(C)CC	704827540	IJSGVIVMUNQQBG-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@]1(N)CCCC(C)(C)CC1	704832088	ILAMSVULRLGCRE-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1N[C@H]1CCCC12CC2	706519382	RLXFJDMOZHOQSG-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CNC(C)(C)C)C[C@H](C)CC(C)(C)C	709121172	DJUBFZDWGUIOPR-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H](C)CC(C)C)c1	709217193	CQOTZWYPFARIDF-ZDUSSCGKSA-N	232.367	4.504	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)CC(C)(C)C(C)C	713247482	QQUOFFXPGRJDIL-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
C/C=C\[C@H](NCCC)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714434500	CZAVKNBFLXMWSW-ZKDJXDLUSA-N	249.442	4.537	0	10	BJAE	
CC/C=C/[C@@H](C)Cc1ccc(Cl)c(C)c1	714553063	NULHQPNVMPGQAM-MVIFTORASA-N	222.759	4.793	0	10	BJAE	
CC1(C)CC[C@@H](CCC2CCCCC2)[C@@H](O)C1	717488648	LVYLNGKQRDJOID-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H](C)CC(C)(C)C	718498368	WWBWTIRFCIFGGF-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1C[C@@H](C(C)C)CC[C@H]1O	718530652	FBVXMTBSRINPAI-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2	718566501	MKURNNQBEMVBLP-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2CCCCCC2(C)C)C1	719291352	KJSGUJVHEHMMSX-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C)c(NCc2sc(C)cc2C)c1	719417593	BXLHNCRIMDKAAR-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC12CCCC2	720989665	LXBFZUSBZDPXJR-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCNCC1(C[C@@H]2CC23CC3)CCCCCCC1	722879914	YEKSIGDULAVUJZ-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCCCC[C@@H](C)NCC1CCC=CCC1	1653140619	GKLQSTHPBNGLQF-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNC2(C3CCC3)CCC2)C1	1653842204	YRPRKLHRFDMYNY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](SCc2ccccc2C2CC2)CCC1	1656466149	JANONNOKVHFXNI-OAHLLOKOSA-N	244.403	4.906	0	10	BJAE	
CCC(CC)N(Cc1ccccc1)C1CCCC1	1880409455	NVYLQBKRXNIQFI-UHFFFAOYSA-N	245.410	4.620	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(Cc1ccccc1)[C@H](C)CC	1880413499	OAWGZQOVPWMPLA-ARFHVFGLSA-N	247.426	4.722	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)[C@H](C)C(C)C	1901506453	HNMGIZIJDSVTDS-RRFJBIMHSA-N	227.436	4.616	0	10	BJAE	
CCCCN([C@H](C)CC)[C@H](C)[C@H](C)C(C)C	1901725668	YJCZZDRSQIQVEM-RBSFLKMASA-N	227.436	4.568	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1cc(C)c(C)s1	1905431917	ADEQSIWHXYDSLL-OLZOCXBDSA-N	239.428	4.581	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1(CC)CCCC1	1905442239	COEQEXWABDQGFA-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)CCC1CCCC1	1905445951	SJDJJBRZCBJHQQ-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](O)C[C@@H]1C[C@H]1C1CCCCC1	1910694462	TUCDSKYMYDHKCM-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)NCC1(C2CCC2)CC2(CCCC2)C1	1912571720	UVIHVSFNVQNCEA-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@]1(N)CCC2(CCCCC2)C1	1915915683	ZKWXHYWUXUANCW-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC[C@]1(CNC(C)(C)C)C=CCC1	1916386185	OCGQXPGWFXFQLY-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC1(CNC[C@@H]2CCCC23CCC3)CCCCC1	1921614370	FOZJJDZJLXTCMQ-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC1CCC(C(=O)[C@H](C)C2CCCCC2)CC1	1924102124	XJTWSACEAHTQML-JVWICGRDSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@@H](C)C1CCCCC1	1924137281	YVZYNEKXGZIUDC-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)CNC[C@@H]1C=CCCCC1	1925920951	MCIACESJSSIKKE-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)CCN[C@H]1CCCC[C@@H]1C(C)C	1926159710	NZRINVMJIRMSIT-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC[C@H]2C=CCC2)C1	1932596361	RZWUDRZMJTVLDJ-LJISPDSOSA-N	206.373	4.805	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1cc(Cl)cs1	1933799246	MCEDHNOXMQDKTB-JTQLQIEISA-N	245.819	4.618	0	10	BJAE	
CCCN[C@@H](CC1CC1)CC1(C)CCCCC1	1940411397	WCGGTIUSPWQITG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C[C@H](C)c1ccc(N)cc1)CC(C)(C)C	1940970568	KIGNRQWRQHQJLY-STQMWFEESA-N	233.399	4.835	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)C[C@H](C)C(C)(C)C	1941243906	QAUCFSVRJBBOKB-RRFJBIMHSA-N	242.447	4.738	0	10	BJAE	
CC(C)(C[C@@H](O)CCCCCC1CC1)C1CC1	1941579252	LUWJDKMEEAZCOM-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CCCC1(C)CC1	1941688489	WNYAQFMYVNLHHI-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCCCC[C@@H]1CC	1942802805	GRSHQJLJEPOSDT-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)CNC[C@@]1(C)C=CCCC1	1943134213	PNWKEQFVIMIGKK-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)c1ccsc1C	1944451904	OMCMNYLYBUXEJR-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CCN[C@@H](C=C(C)C)C(C)(C)C1CCCCC1	1944631778	OEFGZIMMEYFQGH-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)C(C)(C)C(C)C	1944665999	MBTWEXGJGOTQMK-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(C)(CC)CC)C(C)(C)C(C)C	1944679120	FVBFGVGSILDQKD-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@H](C)NCCC1(C)CCCCC1	1945431531	CMMAPTOVALTVDC-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC2(C)CCCCC2)C1	1945597777	KUQIXMUFYIUZLK-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)C[C@](C)(O)c1csc2ccccc12	1945624791	ILHLVKDAYFRBNR-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CNc1cccc(-c2cccc3sccc23)c1	1945969573	GRLQWAZCMVEJTJ-UHFFFAOYSA-N	239.343	4.610	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNC(C)(C)CC(C)C	1946970757	GRFFLKWCACRHGX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCC[C@H]1C(C)C	1947470945	WHAXKLZGOCZMAV-QWHCGFSZSA-N	249.423	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CCC[C@@H]1CC1(C)C	1947516840	WPAJQMWOWIKJDP-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC(F)(F)CC)NCC	1947993838	RCBHFPSZAYCPDV-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C1=CCCCCC1	1948972813	ZPBNICPPYAUSMT-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CCC=C(C)C)CC1	1949025502	WIVDCLQZOQSPFI-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
N[C@@H](CCCCC1CCC1)CC1CCCCC1	1949916853	MMBXLWHUDFVBOT-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(CN)CCCC(C)(C)CC1	1950913007	CYVNYEKVGWPMMW-DZKIICNBSA-N	239.447	4.604	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCCC(C)(C)CC1)C1CC1	1950917786	HGKXQYLQVDEPMQ-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCC=CC[C@H](CCC)c1cccc(OC)c1O	1951309338	XOSSFMINYZKADF-ZDUSSCGKSA-N	248.366	4.641	0	10	BJAE	
Clc1ccccc1NC[C@@H]1[C@H]2CCCCC[C@H]21	1968257583	YLAZKMDNUNUKEJ-ITGUQSILSA-N	249.785	4.578	0	10	BJAE	
Cc1cc(C)cc(OCC2C[C@H](C)C[C@@H](C)C2)c1	1968308409	WARXIWVCGIYTRW-CHWSQXEVSA-N	246.394	4.755	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCCC23CCC3)cc1	1968314045	OFBUFIIMYLJTHU-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCCC[C@H]1CC	1968859099	JXOPXWINRNDOEI-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@](C)(O)C1(C)CCCCC1	1975570344	GRXRNEXSLCHHNT-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@@H]1CCC[C@H](C)C1	1980277651	UFOQJBJYETZFPV-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CC=CCCCCc1nc2ccccc2s1	1984611102	VTHJNFPHJXVOHV-UHFFFAOYSA-N	231.364	4.585	0	10	BJAE	
CC(C)[C@@H](C)CCC(=O)CC1CCCCC1	1988302400	KWXJTRHQHMAPDR-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@](O)(CC)CC(C)(C)C(C)C	1990093877	PLSYXABTMYHBHN-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CCCCCC[C@@](C)(N)c1cc(C)c(C)s1	1993982457	RWRLLXHASLYGEB-CQSZACIVSA-N	239.428	4.509	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cc(Cl)c(F)cc1C	1995048848	UTODAZQANQUJLS-SCZZXKLOSA-N	243.753	4.634	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H](C)c1cccs1	1998381506	XEVAAQDYHUNIKO-QWHCGFSZSA-N	249.423	4.678	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1CCC=CCCC1	1999998649	LACLVCMJUUNVMC-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CCC1([C@@H](N)[C@@H]2CCCC(C)(C)C2)CCCC1	2000143801	QPFZYIRPJBFMEW-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CC(C)=C[C@H](C)C1	2000169963	CCBHZTTWHQWHKU-JSGCOSHPSA-N	236.399	4.764	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cc(C)c(C)cc1C	2000190307	LQGPLPSPYNLNKM-NSHDSACASA-N	232.367	4.621	0	10	BJAE	
CC(C)CN(CC(C)C)[C@@H]1CCCC(C)(C)C1	2000907932	SFBWBLLZJVQPKM-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@H](CC)CC(C)C	2002516785	UDEBELPXWNQVOI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)CC1(C)CC1	2002517339	WYJXPVGTAJNLIO-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H]2CCCCCCCC2=O)C1	2003070306	KVNCAFIGCZASPS-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@@]1(C)C=CCCC1	2003320813	KDEXNENZKFTPKM-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC1([C@@H](O)C[C@H]2CC2(C)C)CCCCCCC1	2004920050	GLOOVMFJYNNFJL-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@]1([C@H](C)CC)CCCCC1(C)C	2005593251	AAKVZQYVFYQZFI-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1C=CCCC1(C)C	2006900117	CJQJMTLIELWZCL-KGLIPLIRSA-N	237.431	4.536	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)C1(C)CCC(C)(C)CC1	2007683682	TWBXPOPSGHCBDV-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)CC[C@@H]1CC(CC)CC	2009406333	GGAYSRVCBUSSSH-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H]1CC1(C)C)NCCC	2009626323	DSXWWBURXRCXCV-SJKUQHEZSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H](C)CC(C)C	2009635925	SAIGULKYIGKXQY-BWVNKGDMSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@@H](O)CCC1CC2(C1)CC(C)(C)C2	2011845668	MXMQGVSYTPFFBA-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC)CCC12CCC(CC1)CC2	2012834507	QKIVLYSPGRBGMN-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@@H]1CCCC1(C)C	2013267110	NUAWWRSDGFOQSJ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)c1cc2ccccc2s1	2015277520	HRCIHPRJSONXKX-DGCLKSJQSA-N	247.407	4.583	0	10	BJAE	
CC(C)[C@@H](C)C[C@@](C)(O)C1CCC(C)(C)CC1	2015279886	ASHRCCGPYZBHKT-XJKSGUPXSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC1(CCC)CCC1)C1(C)CC1	2015643028	XNVLDPYEINTKEO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@@H](C)C1CCCCC1	2016830132	DDWZKHBWAVQHGX-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](NC)C(CC)CC)CC1	2017654986	ITIRNXJPKLMJLX-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)C[C@H]1CC[C@H](C)CC1	2017724327	XNFPKXKWLGCVSQ-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C)[C@@H](C)NCC)CC1	2017728456	LZSFNRIGMTZUSJ-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC)NCCC1CC(C)(C)C1	2018133098	AAOMYBMOGLYYHX-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)C[C@@H](C)C(F)F	2018135040	VCOJUZAKULNYHU-UPJWGTAASA-N	249.389	4.615	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C[C@@H]1CCC[C@@H](C)C1	2019173915	YOONCFIGUWXUEN-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@H](C)CCC1CC1	2019184184	DGXSHVQCYVNVOF-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCCCN([C@H]1CCC[C@H](CC)C1)[C@H](C)CC	2019198704	BGAIRGFVKDKAGQ-PMPSAXMXSA-N	239.447	4.856	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCC1=CCCCC1	2019767853	MDLQCTPFICEQJH-HOCLYGCPSA-N	238.415	4.844	0	10	BJAE	
C[C@H](CC1CCC1)Nc1ccccc1C1CC1	2021026507	VPPAONIOEMPQRU-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCC[C@H]2CCCC[C@H]21	2022992672	NPNUALGPNADNKP-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@H]2CC(C)(C)CC2=O)CC1	2023633134	SIGWKBUIXVLBQV-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)CCCC2(C)C)C1	2024096520	VKMPQNRUOANPIC-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@@H]1CCCC(C)(C)C1	2024101554	LQDLHGXPAKEAHG-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCCC1CC(O)(C[C@H]2CCCC(C)(C)C2)C1	2024124196	OKDSNLQGHGOKML-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2CCC=CCC2)C1	2024125176	QSTJLLYSTQEUOO-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](N)CC1CCC=CCC1	2028872865	OCCYWHDHVIXZQY-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
CC(C)Cc1ccccc1[C@@H](O)CCC(C)(C)C	2028928699	XZIVAWULTGYVOX-INIZCTEOSA-N	248.410	4.745	0	10	BJAE	
CC1(C[C@@H](N)c2ccc(C3CCCC3)cc2)CC1	2031746010	JSWXBNTULCTXNZ-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC1(C)CC[C@H](CN[C@H]2CCC23CCCCC3)C1	2033394911	QZIRGZQPQKHCPN-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CCC(C(=O)[C@@H]2[C@H]3CCC[C@H]32)CC1	2033483748	CKIAFIMIDLENMX-LISQQWEMSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CC[C@H]2CCCC[C@@H]21	2034261616	HJLQINHHYKQKHE-VNHYZAJKSA-N	247.357	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)[C@@]12CCCC[C@@H]1C2	2035426804	VXBMQPCRTDGWKC-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cccc(C2CC2)c1	2035427490	WYTPFDKXIHSMAX-RHSMWYFYSA-N	243.394	4.945	0	10	BJAE	
CCCc1cccc(C2(N)CCCCCCC2)c1	2035545830	BPDFPSKWQKQCJV-UHFFFAOYSA-N	245.410	4.537	0	10	BJAE	
CC1(C)CC[C@H](N)[C@@H]([C@@H]2CCC3(CCCC3)C2)C1	2037685590	HIBDBSLDBDBFCA-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1CC(C)(C)C1)C[C@@H]1C=CCCCC1	2037970575	SSOJMTIUYXIMSY-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C=C1CCCC[C@@]12CCNC2)CC	2038646187	SBIWANHFNXTWQN-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
Cc1c(F)cccc1NC[C@@H]1CC12CCCCC2	2039050310	HFXFZCYINFUXDW-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2CC23CCCC3)cc1	2039090446	BXKWRGPTRSIITR-OAHLLOKOSA-N	243.394	4.802	0	10	BJAE	
Cc1ccc2nc([C@@H]3CCC[C@@H](C)CC3)[nH]c2c1	2039377677	RRFZCRSYPQDYIE-DGCLKSJQSA-N	242.366	4.555	0	10	BJAE	
Cc1cccc([C@@H](O)[C@@H]2CCCC(C)(C)CC2)c1	2039385033	KWVRSYGUPFTYGA-ZBFHGGJFSA-N	246.394	4.635	0	10	BJAE	
CCCC(C)(C)C(=O)c1cc2cccc(F)c2o1	2040720013	VMFXAJAGKMKGKC-UHFFFAOYSA-N	248.297	4.581	0	10	BJAE	
CCCC(C)(C)CNc1ccc(C(C)(C)C)cn1	2040720504	BOTXJSCUNPRGGQ-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
N[C@]1(C2=CCCCCCC2)CCCC2(CCC2)C1	2041299658	KMCOVJYFNHZIFF-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC(C)NC[C@@]1([C@@H]2CCC[C@@H](C)C2)CC=CCC1	2042089774	SYSQLFFHPIBMES-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC([C@@](C)(N)[C@H]2CCC3(CCCC3)C2)C1	2043551862	ZZNMJVKKOJYHMH-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C[C@@]2(N)CCC3(CCC3)C2)C[C@H](C)C1	2043611682	ISAGMODKOZSZAN-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1CC(C)C1)C[C@@H]1CCC=CCCC1	2045328677	GYYJBFBZEPZKNP-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCCCCC2CC2)C1	2045561458	GJRLPSBLKGXIFI-BBRMVZONSA-N	248.410	4.908	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)[C@H]1C=CCCCCC1	2045993242	PBPFMIQYHPYNQB-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(C[C@@H]2CC23CCCCC3)C1	2047012170	MTTKGXWLTAVCTH-BZUAXINKSA-N	249.442	4.502	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@H]1CCC12CCC2	2047944150	WMDADFVPCHXPHT-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2048473312	NOPNKICRSPAOCE-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CC[C@H]3C[C@H]3C2)C1	2049512609	USJOUESTTYBPSP-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@@H]2CCCC3(CC3)C2)C1	2049953017	BIUBLTGVFLYDDG-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@]1(C)C=CCCC1	2049992403	NZOBZKPDRMTHIP-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1[C@@H](O)CC[C@@H]1C=CCCCC1	2050438325	KBNFMBDCUINGBB-WBVHZDCISA-N	244.378	4.555	0	10	BJAE	
Cc1cccc([C@H](N)C[C@H]2CCCC(C)(C)C2)c1	2050457405	BVAFPNLWORLBSW-GDBMZVCRSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC(=O)c2ccc(C)cc2)C1	2050461993	AABMVCPBOWLVNL-HUUCEWRRSA-N	244.378	4.784	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1C[C@H]2CCCC[C@@H]21	2051397685	AQBPDKBJVKSAIM-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)[C@@H]2CCCCC23CC3)C1	2053416075	OKUKQPZANPHOPG-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccncc1N[C@@H]1CCCCC[C@H]1C	2053832786	GEXASRJHHTZUKR-UKRRQHHQSA-N	246.398	4.586	0	10	BJAE	
CCN[C@H]1C[C@@H](C[C@H]2CC=CCC2)C[C@@H](CC)C1	2055040510	WHLJHYKJKZJHMD-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@H]2CC=CCC2)[C@H]1CC	2058733386	DWTYBPYDSIZHIE-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](CC12CCC(CC1)C2)NCC	2059225470	NPKHFIAOUMAXSY-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](C)CC[C@H]1CNC1CC1	2059247814	VOCHWSQOSBRZKY-QQRBYAPVSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(NC[C@H]2CCCC23CC3)C1	2059389887	HXJKGBPIILUORX-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
C=C=CC[C@H](NCCC)c1ccccc1C(C)C	2059445503	XWMXHHYJCWCSSI-KRWDZBQOSA-N	243.394	4.582	0	10	BJAE	
Cc1ccc([C@H](N)CC2=CCC(C)(C)CC2)cc1	2061143279	JIYQSSUSDWKYNT-MRXNPFEDSA-N	243.394	4.521	0	10	BJAE	
CCCC1([C@H](N)C2=CC[C@H](C(C)C)CC2)CCC1	2061147679	POIMHFPEMGUMCL-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC[C@@]12CCC[C@H]1C2	2061606277	KONLWGVXUHRJTA-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C1CC(=C2CC2)C1	2061650005	DGUMHTIRPTXTSY-NJELEJDNSA-N	247.426	4.601	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CC1CC(=C2CCC2)C1	2061683210	VDLLZMILLPBGGI-SJORKVTESA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(OCC2CC(=C3CC3)C2)cc1	2061706523	GHMWMVRTTUWXGT-UHFFFAOYSA-N	242.362	4.689	0	10	BJAE	
Cc1cccc(OCC2CC(=C3CCC3)C2)c1C	2061706832	JVGOXUGRCLIACT-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C1(C)CCC2(CC2)CC1	2062637423	JFYBAUCMWRNATI-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](C[C@H]1C[C@@H]2CCC[C@@H]2C1)c1ccc(N)cc1	2063488247	AQUYBGNFPGQUAF-DARAHFNDSA-N	243.394	4.589	0	10	BJAE	
CCCNCCC=C(C)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063492584	ZPZLSCDQNQMFMF-OSYLJGHBSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](N[C@H](CC)c1occc1C)C1CCCC1	2063679848	CXFBUBYDMNPVRG-LSDHHAIUSA-N	249.398	4.598	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)C[C@H]1CCC=CCCC1	2068269684	ORWYRAXGWHQRPS-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H]1CCCc2ccccc2C1=O	2068991019	JWZPNNNFEPLWNQ-ZFWWWQNUSA-N	244.378	4.504	0	10	BJAE	
CCCC1(CN(C)C2CC3(CCCC3)C2)CCC1	2069278030	DEGIEGHVFPCBPE-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2C[C@@H]3CC[C@@H]3C2)CCC1	2071914349	BZGVPUBYWPLUDC-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C[C@@H](N)C2(C3CCC3)CC2)CC1	2072792823	DOGMXZSBGYYVQR-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC2(N)CCC3(CCC3)CC2)CC1	2072794124	QIRINGBQKPJFFX-SHTZXODSSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(C[C@@]2(CN)CC=CC[C@H]2C)CC1	2072799135	PNGXPNGKOULPBA-RDHHWEPZSA-N	249.442	4.524	0	10	BJAE	
CCCC1CCC(CC(=O)[C@]23C[C@@H](C)[C@H]2C3)CC1	2072873922	UGGYONKJSZQIGR-NQKOESPWSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2CC3(CCCC3)C2)CC1	2072876344	ZGLFLYQJLSQKJJ-HDJSIYSDSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2[C@H]3CCC[C@H]32)CC1	2072879319	STFNQHVWHFQTDX-WIPSIIJDSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)Cc1cc(C)ccc1C	2073340584	GRUYONLYNUKZLJ-QGZVFWFLSA-N	248.410	4.567	0	10	BJAE	
CCCC1([C@H](C[C@]23CCCC[C@H]2C3)NC)CCC1	2074018788	AYLJDKZHYJIIGX-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@]1(C)CC=CCC1	2074645241	ZHZZDXFLUXLNJN-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCCCN([C@H](C)c2ccccc2)C1	2074793504	WSFWTVLJYOVKFP-NVXWUHKLSA-N	245.410	4.506	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1ccccc1C1CCC1	2077262894	ZUWCMBXIOBLKKT-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2C[C@@H]3CCCC[C@@H]32)c1	2077264992	GXRZHBLXQJGZAB-JLJPHGGASA-N	241.378	4.555	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1C[C@@H]1C1CCCC1	2079433859	CHOVIWMXIYJCSE-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1Cn1ccc2cccc(CC)c21	2079821757	WJAGFDHLQYTCFC-CVEARBPZSA-N	241.378	4.640	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@@H]1C1CCCC1)C1CCCCCC1	2079869261	CTPNMDSWLANOKG-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
c1csc(-c2cc(C3CCCCC3)ccn2)c1	2080295486	TUHYJRKZOAFGJD-UHFFFAOYSA-N	243.375	4.858	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@H]1CCC2(CCCC2)C1	2081777602	FQUXDHQDLWGDDJ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@H](CC)Oc1cccc(C)c1C=O	2086299312	XDFSUTSGECUZJB-AWEZNQCLSA-N	248.366	4.545	0	10	BJAE	
Cc1cc(N[C@H](C)C(C)(C)C)c(F)cc1Cl	2210737256	NGFCRVHDSCVILV-SECBINFHSA-N	243.753	4.634	0	10	BJAE	
CCCCCc1nc(Cl)cc2ccccc12	2212518190	QSHVUSJANHNWSP-UHFFFAOYSA-N	233.742	4.621	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@H](CC(C)C)C(C)C	2215347797	ZJYZONQQRUXQDB-QLFBSQMISA-N	238.415	4.700	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)CCC(C)=C(C)C)CC1	2215816631	YIKKMOZMGWFCTO-HZPDHXFCSA-N	235.415	4.587	0	10	BJAE	
CCCCC[C@@H](C)NC[C@]1(C)CC=C(C)CC1	2215822674	ADYYZIHSKATBEH-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@H](C)N(C)[C@@H]1CCC[C@H](C(C)(C)C)C1	2216255447	DFQJIWVWGVUKQG-SOUVJXGZSA-N	239.447	4.568	0	10	BJAE	
CCN[C@H](CCCCC(F)F)C(C)(CC)CC	2216450138	UNKYYXPHHRKTFL-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@H](O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216744215	IRSJEEVBVFKPFN-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@H](N)CCCCCCCC2CC2)CC1	2216879412	IUOIGEJIXFCIQS-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)NCC1([C@@H](C)CC)CCC(C)CC1	2217125470	PTKXTRJSOUOZCP-PYBGIAKNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(CCC)CNC1CCC1	2217136422	IMZRWOQDSAEROP-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CC(C)(C)CC)C=CCC1	2217149101	HLJVVEUSLWPYKJ-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC=C[C@]1(N)CCCCCCC1CC1	2218733516	WOEFFUVGLIVJMO-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCCc1ccccc1[C@H](N)CCCCC1CC1	2220030443	LVCAEJYNMWSOQC-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C12CCC(CC1)C2	2220048793	XMBXZMONWOXQJA-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@H]1CC[C@@H]1C	2220517603	BOCFKFZBMOPINZ-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)NCC1([C@H]2CCC3(CCCC3)C2)CC1	2223574183	ULDSKAMRLACOHT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@](CNC2CCC2)(C2CCC2)CC1	2223607632	YODZMOZDSJWRIX-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCC(=O)Cc1ccc(C2CC2)cc1	2223681904	VYMNBWJHWQXNRO-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
C[C@]1(C2CCC2)CCCN1[C@@H]1C=CCCCCC1	2223849592	CSMDZRJSVCDYTE-IAGOWNOFSA-N	247.426	4.530	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)CCCCC2CC2)cc1	2223966276	WGYCXPHOWMSSFO-AWEZNQCLSA-N	244.378	4.638	0	10	BJAE	
CCN[C@@H](C(CC)CC)[C@@H](C)c1ccc(C)cc1	2223968672	MENQXWBEFQJFJL-WMLDXEAASA-N	247.426	4.513	0	10	BJAE	
CC[C@H](N)[C@@H](C)CC[C@@H](C)CCCC(C)C	2244846090	YEQNGBQDNTUIGZ-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCCC[C@H]2C[C@@H]2C)C1	2247162841	IITLJQXFNHRUQM-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(N)(CCCC[C@@H]2C[C@@H]2C)CC1	2247176536	PYTGCVGGMBWTEY-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](C)(N)CCCCC[C@@H]1C[C@@H]1C	2248843276	UARDIWIXIGLYNP-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](O)[C@H](C)C(C)(C)C	2248856782	WRMYTWSMXFTKJT-QPSCCSFWSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)C1CCC(C)CC1	2250353942	ZFDNUFHZHNMGHQ-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC[C@@H](C)CCCC(C)C)C1CCC1	2250470315	YTRJYPRBIZXOOJ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(N)[C@@H]1C[C@@H]1C	2250474732	ILUFUIULDISOLG-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C(=O)C[C@]23CCCC[C@H]2CC3)cs1	2251157546	IWRXQCDTJLYRJM-DZGCQCFKSA-N	248.391	4.600	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@]12CCCC[C@@H]1CC2	2251171832	PZMJYCJJHBSHQR-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@]12CCCC[C@H]1CC2	2251223194	ROALZVCYABSSGS-JYJNAYRXSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)C1(CC2CC2)CCC1	2254521085	JYTZWZPSBQDIHU-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1(CNC2CC2)CCCC1	2254586950	YTXGPPYQOMCWHN-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](N)CCCC[C@H]2C[C@H]2C)c1C	2254591217	LUZYBPMJUHIZGU-UKPHBRMFSA-N	245.410	4.520	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H](N)[C@H](CC2=CCCCC2)C1	2255092070	QJZPPXGFROHTGQ-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CC1([C@H](N)CC[C@H]2CCCC23CC3)CCCCC1	2255267463	FGNIDKZRTKMRCN-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC[C@@H]1CCCC12CC2)CCC1(C)CC1	2255292071	VHHQJVRIXKFPJD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCN1CCCCC12CCC2	2257297863	HOTBGMRHOTVPPZ-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H]3CCC[C@H]2C3)cc(C)c1C	2258237849	MVSIKMBSEQNJQK-YQQAZPJKSA-N	243.394	4.602	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)c1c(C)cc(C)cc1C	2259443961	NQOVEONLHUCQGI-DOTOQJQBSA-N	247.426	4.699	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2260583162	NHCQAYUFFAQHRT-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]23CCCC[C@@H]2CC3)[C@H]1N	2260615771	ZJITZHLTBIPBQE-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@]12CCC[C@@H]1CC2)CC1CCCC1	2260649495	XJAFPYPXEXMRBN-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@]12CCC[C@@H]1CC2)[C@@H]1CC1(C)C	2260673077	QSOHPTKZAPMOHH-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H]1CCNc2ccc(F)cc21	2261347671	HRULHBWIVPMYRJ-XBFCOCLRSA-N	247.357	4.551	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H](N)C1CCCCCCC1	2298858103	LYBBUFUZCQJSKF-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CC12CCCCC2	2300698196	XPCZMAZKZYDMBE-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(F)ccc1C(F)F	2300826214	KKZPVIFVLWCPAG-SECBINFHSA-N	245.288	4.754	0	10	BJAE	
CCC(C)=CC[C@]1(CO)CCCC(C)(C)CC1	2300869431	IPPBKJWJNJXCFC-MRXNPFEDSA-N	238.415	4.702	0	10	BJAE	
CCC(C)=CC[C@]1(O)CC(C)(C)CCC1(C)C	2300907358	RLOHNGGNNPEXAF-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H]([C@H](C)C(C)C)[C@H](C)[C@@H](C)C(C)C	2301830040	UMUFJXMQLQRDNF-ZJIFWQFVSA-N	241.463	4.575	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)C1CCC(C)(C)CC1	2301985116	XQEBRRMISOKDCG-KBPBESRZSA-N	239.447	4.568	0	10	BJAE	
CC1CC(CC(=O)CCCC2=CCCCC2)C1	2302349123	LRSBAVOZIFZWQA-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)C(C)(C)C(C)(C)C)C1	2302674374	ACHGVCOAKYFHAZ-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@H]1CCC(C)(C)C1	2302684299	BJBSHJSSPYOBIK-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(N)CCCC(C)(C)C2)C1	2302691568	RYRZZPMPVLCLOM-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCc1cscc1N[C@@H]1CCC2(CCCC2)C1	2302890248	RRPRZZZWXPJORS-CYBMUJFWSA-N	249.423	4.835	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCCC(=O)[C@H]2C)CC1	2303599901	APUMDRZUWDNVAT-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
CCCC1(NCC[C@H]2CCC(C)(C)C2)CCC1	2304406778	DTTNTWXORGUJER-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CCCC[C@H](N)C(C)(C)C)C1	2304447649	QCVIWOKIBNGDRR-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)c(COc2ccsc2C)c(C)c1	2307185423	XKSQZNLFXVEHEA-UHFFFAOYSA-N	246.375	4.561	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@@H](CC)CCC	2307894920	TXLWHJRLYZITHL-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)[C@@]12CCCC[C@@H]1CC2	2307898903	NUZBRFVGNNFCRZ-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
C[C@@]12CC[C@@H](NCCCCCCCC3CC3)[C@@H]1C2	2312601015	NOHBSVXOFHTQIH-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	2313031212	PQSZXNUTYXEFJT-XFIYOXNOSA-N	248.410	4.598	0	10	BJAE	
CCC1(CC)CC(N)(C(CC2CC2)CC2CC2)C1	2313605325	GKUSFLHOZLKWHX-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@]1(C)CC=C(C)CC1	2316536618	MSDOYFADYHWRBQ-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CC(=CCC(=O)[C@]12C[C@@H](C)[C@H]1C2)CCCC(C)C	2316564953	VISCBPHEIQQNSL-INMHGKMJSA-N	248.410	4.764	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316870965	WIFGVCHUVCPNLQ-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1cccc(C2(C)CC2)c1	2317988231	FSMCKFQNJUGUCN-ZIAGYGMSSA-N	245.410	4.831	0	10	BJAE	
CCCN[C@@H]1CCc2c(C(CC)CC)cccc21	2318404162	BDWYVDYVQKKGFP-QGZVFWFLSA-N	245.410	4.577	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)C[C@@H]2CCC(C)(C)C2)CC1	2319120814	HRWMXEVLRXYDGQ-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCCC[C@H]3C[C@H]32)C1	2319444721	XWTGMIJMHLXHDD-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@]1(N)CCCC[C@H]2C[C@@H]21)C1CCCCC1	2319445104	AUSZTOUVLSEUTP-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CC[C@H]2C2CC2)CCCCC1	2319491813	KEGGAIHKCLOULO-HOCLYGCPSA-N	248.410	4.742	0	10	BJAE	
CC=C(CC)[C@H](C[C@@H]1CC[C@@H]1C1CC1)NCCC	2319551967	VIPRHPOWZHUYQJ-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CC[C@@H]2C2CC2)cc1C	2319736505	FQNWWDHCBPQVIK-DOTOQJQBSA-N	243.394	4.542	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CC[C@H]2C(C)(C)C)c1C	2320217460	MDHFRRXYUGNFMN-HUUCEWRRSA-N	244.378	4.558	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)CC23CCCCC3)C1	2321608405	ORVKJPQSDQPCJY-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](CC)C[C@@](O)(c1ccccc1)C(C)C	2328207350	RZSNNLYGCDKRLM-WBVHZDCISA-N	248.410	4.747	0	10	BJAE	
CC[C@@H](C)N[C@H]1CCCC[C@@H]1C1CCCCC1	34994238	NODQCFMNQFPRGM-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)c1cc(C)ccc1C	35581642	URNLTZKIIJZZPI-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)c1ccc(CC)cc1	35582628	WKTAHHSHQYJGLW-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
Cc1c(C)c(C)c(C(=O)CCC(C)C)c(C)c1C	36940144	XSBOPHGEVOYWNI-UHFFFAOYSA-N	246.394	4.848	0	10	BJAE	
CCCCCN[C@H](C)c1oc2ccccc2c1C	37188796	YKSDEKWLLKLFIE-CYBMUJFWSA-N	245.366	4.582	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)CC(C)(C)C	68848845	AEYCGRLAUZSSAK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cccc(SC)c2)C1	71104518	OAPUTBGWHCTOSQ-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cc(C)ccc2C)C1	71106021	BVWYJQBQKKVWAC-GJZGRUSLSA-N	231.383	4.684	0	10	BJAE	
CC1(C)CCC(N[C@@H]2CCC[C@@H](C3CC3)C2)CC1	81639796	OVSQAIWKCPZUNO-GDBMZVCRSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@]1(O)CCC[C@H](C(C)(C)C)CC1	83520780	ZZGDIEBMLQRYSD-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Oc2cc(C)cc(C)c2)C1	87439752	APHMPHSSXUFTLK-HUUCEWRRSA-N	232.367	4.651	0	10	BJAE	
CSc1cccc(NC[C@@H]2CCC[C@@H](C)C2)c1	89586151	SEJIVXSMEHQYHB-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
CCCN[C@@H](c1cc2ccccc2o1)[C@@H](C)CC	93188085	XHOQVOFLVKAMEP-BLLLJJGKSA-N	245.366	4.520	0	10	BJAE	
CC/C=C\C[C@@H](C)c1cccc(Cl)c1	107498663	OABMNFGOOAAHBF-DOGVGXBMSA-N	208.732	4.800	0	10	BJAE	
COc1ccc(NC2CCCCCCC2)cc1C	109931788	VTCNWSBACKANKL-UHFFFAOYSA-N	247.382	4.528	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	109996721	BKZMEICOPWJNTE-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C(=O)Cc1ccc(C)c(C)c1	113079609	HNVWJXMHQBXSNW-MRXNPFEDSA-N	246.394	4.631	0	10	BJAE	
CCCCCC[C@@H](NC)c1sccc1CC	124786601	HIJNSCPCGDTZQS-CYBMUJFWSA-N	239.428	4.541	0	10	BJAE	
CCCC[C@H](CC)Cn1ccc2ccc(F)cc21	128697292	WKWUBBITZVAYPB-ZDUSSCGKSA-N	247.357	4.997	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)c1cc(C)cc(C)c1	132470285	JUEOOZWMBLVQGO-CVEARBPZSA-N	247.426	4.923	0	10	BJAE	
CC1([C@H](O)c2ccccc2C2CCC2)CCCC1	160022441	BFMKGNQTFLOPLS-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCc1ccc([C@H](CC)N[C@@H](C)[C@H](C)CC)cc1	218138353	DCHKTTCLJGXAGN-KEYYUXOJSA-N	247.426	4.724	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@@H]1CC[C@@H](CC)[C@@H]1C	225204594	OVRSDWGQKIMRRN-YIDVYQOGSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H](/C=C\CCNC(C)(C)C)C1	227228325	UJJCEVWXKVSYRE-IIQYJXCPSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@H]1CC[C@@H](CC)C1	227465405	PXJAXBMHUAXOQT-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)CC(=O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2	229145608	YQRLVZFYSNINJM-GESPQZGRSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1CCCC1)c1cc(C)cc(C)c1	229479591	WARRXDGFTFVHKD-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@H]1CCC12CCCCC2	230173306	XBYUMCUUDLFSKC-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1ccc(C)cc1Cl	233274423	ONZRZSGUTKZWNI-QMTHXVAHSA-N	240.774	4.508	0	10	BJAE	
Cc1cccc2c([C@@H]3CCC[C@@H](C)C3)c[nH]c12	235444547	QDYBZLJSAMQHLL-DGCLKSJQSA-N	227.351	4.770	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@H]1C(C)(C)C)C(C)C	252427177	XTCBMOMMTCNURE-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H](C)C(C)(C)C)CC1	252906716	VETJSININZDGAA-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CC(C)c1ccc(Cl)cc1[C@H](CC#N)C1CC1	260676867	RMFIRVKVRUXCDW-CQSZACIVSA-N	247.769	4.871	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CC(C)(C)C[C@H]1C	300134073	HVIJWBRAVSYABC-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@H](O)C2=CCCCCCC2)C1	300144256	XZSUMVRMMPZCCW-IAOVAPTHSA-N	248.410	4.620	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@H](C)CCC	300350823	YHFQBXWGHVUKQW-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CCNC[C@@H]1CCCC[C@H]1CCCC(C)(C)C	302290112	LBHUPTGCTJAGOT-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
O=C(CCC1CCCC1)c1coc2ccccc12	305898529	WBTWCNRUGZBHPA-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCc1cc(N[C@H](C)C2CCCC2)ccc1C	305995913	KBGKFWXVRQRPSU-CYBMUJFWSA-N	231.383	4.548	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)c1cccc(CC)c1	308023467	VONSZDUSAKAIHR-DOTOQJQBSA-N	248.410	4.745	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1CCC[C@H](C)C1	309486399	YDXYLKYKBDYZKT-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(C(=O)C(C)(C)C(C)(C)C)c(C)c1	310488785	NQPHMNLPLXRFDO-UHFFFAOYSA-N	232.367	4.558	0	10	BJAE	
CC1(CC(=O)c2cc3ccccc3s2)CCC1	310550881	WLBYPXUFYOKQLD-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCNC[C@@]1(CC=C(C)C)CCC[C@@H](CC)C1	317239455	JTVCSNRAFONZLN-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](c1ccccc1C)[C@@H](C)CC(C)C	381077096	GIZKWBQTSLXZJU-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CCCCC[C@@H](C)NCCCCCC(C)C	383193513	XGRIEHHYSTZOOA-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCC1(C[C@H](O)CC2CCCCCC2)CCC1	383925465	RROFSKZIAJPPMC-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H]1CC[C@](C)(CCC2=CCCCC2)C1	384912813	DSBDZEULECOLHM-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](CC)NCCC1CCCCCC1	394647816	XVBPYWAWSSFTEF-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H]1CCCC[C@@H]1C	395061587	VGECOAVBDTYDJR-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H](NC1CC(C)(C)C1)c1ccccc1	395209942	LRYPORRPNWDDQW-MRXNPFEDSA-N	245.410	4.552	0	10	BJAE	
CC[C@@](O)(CC/C=C\c1ccccc1)C(C)(C)C	395456066	CKENMQUQFBHXBG-HOFZKYPUSA-N	246.394	4.667	0	10	BJAE	
CCc1ccc2c(C)c(C(F)(F)F)sc2c1	396304845	NXFAGEKRZCHDGI-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCNC[C@@H]1CC[C@@H](C)C[C@@H]1CC1=CCCC1	400666277	UEDUJTZTTDCAMB-HYVNUMGLSA-N	249.442	4.539	0	10	BJAE	
C[C@H](Nc1ccc2c(c1)CCCCC2)C1(C)CC1	404624480	BSTCQZIDVFNGOD-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCC(C)(C)C2CC2)C1	406079794	WTEQARTUXZJREM-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1CCC/C(=C/Br)CC1	606288519	ZPCIPGABGKWBDI-IEHMKBBKSA-N	231.177	4.502	0	10	BJAE	
C[C@H](CC1CCCC1)Nc1cccc(Cl)c1	689779094	FJXVXCWBAVMJBR-LLVKDONJSA-N	237.774	4.721	0	10	BJAE	
C[C@@H](Nc1ccc(C2CC2)cc1)C1CCCC1	690079345	PXVGNWRUIRIIRG-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cccc(C3CCC3)c2)C1	690119980	AFZINIYHKAFFOM-CXAGYDPISA-N	243.394	4.945	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1NCCC1=CCCC1	691097113	FLWJXJOGOKCOAV-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCCCC[C@@H]1CC	691107883	WCEZOMKOAJUREQ-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1cccc(C(C)C)c1C(F)(F)F	694937164	FMBAWSQLIWEDDD-UHFFFAOYSA-N	230.273	4.952	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1(CC)CCCC1	696565204	CRVYSQKLPSNBHN-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)c1ccc(C)cc1	697774053	IFPBSCOTTTWQHP-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
Cc1ccc(-c2cccc(CC(C)C)c2)c(O)c1	699715974	ATQJQAISNBIMJK-UHFFFAOYSA-N	240.346	4.566	0	10	BJAE	
CCCC1CCC([C@H](O)C(C)(CC)CC)CC1	701113627	BOYPCDAHCUGFIE-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@]1(C)CC1(C)C	702167867	XXAXLMVANCWYKY-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCNC1C(C)(C)CCC1(C)C	703919611	HIPPIVKJYINWKQ-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@H]1CCCC[C@@H]1C	704844716	MVFZBLIIHAPIIC-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C[C@](C)(N)CC2CCC2)CC1	704847901	SDVZTXVZTOURSY-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(c1ccc2sccc2c1)C(C)(C)C	707695437	KAXFZLOPDFKJFC-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CN[C@@H](CCCC1CCC1)[C@H](C)CC(C)(C)C	708307534	WWYOQGGBVMNQHK-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)[C@@]12CCCC[C@@H]1C2	708874019	CKEMHXOFVHGICY-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)Nc1cc(Cl)c(C)c(Cl)c1	709842978	BZPWNJYJYHFPSC-QMMMGPOBSA-N	246.181	4.902	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC(C)(C)CC)NCC	713134189	PFPHJHGFACNAGL-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](CC)CCCC(C)(C)C(C)C	713176323	WIXMROXUNNYGKL-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@]1(CC(C)(C)CC)CCCCCN1	713182769	ISMGJRMLEIIUBQ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H]2CCCC[C@H]21)C1CCCC1	714303361	IZPFGAUTNRBYMD-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
O=C(C1CCCCC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714432743	GGWMUUOELVGCHJ-CWRNSKLLSA-N	248.410	4.742	0	10	BJAE	
N[C@H](C1CCCCC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714477128	SZGHWQWNIWJOHV-RKTXRCNFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](c1cc(C)co1)C1(C)CCCCC1	716233668	BSZLTBYPIGQYBB-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCCC[C@@H]1CCC(C)(C)C[C@H]1NCCC	717462518	HVGAULZYUIBHKH-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@]1(C)C[C@H]1C	718572809	FZIQAYTXYULKEA-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC(C)=C(C)C)NCC	718605268	YRTRWBSIBQONMM-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)c1ccoc1CC	718635202	UBZIAYPCAJIBTB-OAHLLOKOSA-N	249.398	4.629	0	10	BJAE	
CCCC[C@@H](C)[C@@H](C[C@@H]1C[C@H]1CC)NCCC	723071889	UXTVNYBQDOAUCX-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCN1CC(C)(C)CC(C)(C)C1	1617004922	BSLICBZPSRDZPR-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC(C)=CCCN1CCC[C@H](C2CCCCC2)C1	1620449093	FZBMCDDBGBIEMZ-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CCCc1ccc(CNCC[C@H](C)CCC)cc1	1621049243	UMDPPSGGPDXYDC-OAHLLOKOSA-N	247.426	4.555	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCC[C@@H](CC)C1	1900699972	GGYHTKSKGHLPSB-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1CCC(C)(C)C1	1902253008	WVMKEYOBVQPXLF-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCc1cscc1NC[C@H](C)CC(C)(C)C	1902381163	KDBSYAZXCFCQLD-LLVKDONJSA-N	239.428	4.795	0	10	BJAE	
c1csc(-c2nc([C@H]3CC34CCC4)cs2)c1	1903465010	ZNCRXMOTSLLQEZ-SECBINFHSA-N	247.388	4.529	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@H]2CCC(C)(C)C2)n1	1905266884	GLRMATYAMWDQPD-VWYCJHECSA-N	235.396	4.560	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@@H](CC)CCC	1905291493	DUFUXAGCAWPJJS-LSDHHAIUSA-N	227.436	4.713	0	10	BJAE	
CCCCCC(CCCCC)NC1[C@@H](C)[C@@H]1C	1907975719	BYZCLHQGECVUEZ-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCCC[C@H]2O)C1	1911278505	IFNHKYJNMKWAHS-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC=CC[C@H](CC)c1cc(C)c(C)cc1F	1912122246	CLOZIFBOINQAPJ-ZDUSSCGKSA-N	220.331	4.902	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H]1CCCCCCCC[C@H]1O	1913394120	ZVYORJXYVNAXCU-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCCCCCC[C@H]1N	1913403528	JZKDCKYOSTZOBS-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CCCC1CC(CN[C@@H](CC)c2ccccc2)C1	1921231497	NOSNDEOIWGDPEH-DQPZFDDXSA-N	245.410	4.554	0	10	BJAE	
CCCC1CC(CNCC)(CC(C)(C)CC)C1	1921269054	QKMKVBPOOLOCPT-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C12CCC(CC1)CC2	1925794472	NRQWCQYGFQFQRZ-ISXOHVOVSA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H](CC[C@H]1C=CCCCC1)C1CCCC1	1925886433	DPVYOUMZIAFNGH-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)C[C@H]1C=CCCCC1	1925888443	GOEUUJRQCTWDOU-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccccc1C1(C)CC1	1926393269	MKWZYKDQLNCGLO-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)c1sccc1C	1936271735	UCWFUSILYIRNMS-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
c1cc(NC2C[C@H]3CCCCC[C@@H]3C2)cs1	1938708563	AZKKTGUCSMRFGT-VXGBXAGGSA-N	235.396	4.519	0	10	BJAE	
CC1(C[C@@](C)(O)C2CCCCC2)CCCCC1	1940410506	RLZZMXAXMDUNLZ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC1(CCC(=O)c2ccc3sccc3c2)CC1	1940799666	QQIBKCTUZCYYGZ-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C[C@@H]1CCC[C@@H](C)C1	1941249818	BWHUCCXIZFJNJK-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@@H](CCC)C(C)C	1941272768	MTZLEYYXBURMOW-JKSUJKDBSA-N	237.431	4.559	0	10	BJAE	
CCC(C)(C)CC(=O)C12CCC(CC1)C2(C)C	1945633032	AINDIKUWVQGZTC-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC1CC(C)(C)C1)C(C)(C)C	1948149487	XJXXJYSXDDICHU-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	1948594624	AJALVYPLHLWWQA-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCC1(C[C@@]2(N)CCCC[C@H]2C(C)C)CCC1	1948981356	QKJGVULPLSCCCE-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CC2(CC)CCC2)C1	1948982201	LWYOSUQEEKFYDV-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@H](CC)CC(F)F	1949019043	OMZWMOFEQIXEMU-SGMGOOAPSA-N	249.389	4.602	0	10	BJAE	
CCCC1(CNC2C[C@@H]3CCCCC[C@H]3C2)CC1	1965946091	ROGCWKRVEBGAPD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CCC1CC1)NC1C[C@@H]2CCCCC[C@H]2C1	1967738740	MGPMCVUJLMXYRB-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1CC[C@H](C)C1	1968298908	MALINOWXQUPHBJ-UONOGXRCSA-N	231.383	4.658	0	10	BJAE	
CCC[C@@H](N[C@@H](C)c1ccccc1)[C@H]1CC1(C)C	1969249942	KUFAWCVJPGNJMZ-NUEKZKHPSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccccc1	1969296687	ZOWUNQPLHQWAKV-XOSAIJSUSA-N	245.410	4.552	0	10	BJAE	
CCCC(C)(C)C(=O)CCC[C@@H]1CC1(C)C	1976010072	GZIDLJUSLMGLTO-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)[C@@H](C)NC1CCCCCCCC1	1980336453	JZDZSNWKORMETJ-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCCCC(C)(C)N[C@@H]1CCCC[C@@H]1CC	1987100878	BMDSVWQTVFLZRU-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc(-c2cc3sccc3s2)cc1N	1994738925	PTWWXQGSVGDPKG-UHFFFAOYSA-N	245.372	4.520	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1cscc1F	1995258557	FPJJCKHORMMZMH-GXFFZTMASA-N	244.375	4.527	0	10	BJAE	
CC[C@@](N)(CCCC(C)(C)C)C1CCCCC1	1996593993	IYBHFDBTVKWJTK-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CC1CC(C(C)(C)C)C1	1998239749	KAXZVEGKVJGFRO-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](CCC1CCC1)C1(C)CCCCCC1	2000320760	AXSRXEOXUGBHTQ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)C[C@H]1CC1(C)C	2000504703	KKXQWAATMLTJJB-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1CCC([C@H](N)CC2CC2)CC1	2003067782	XZOFCJKHKZEMBX-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@]1(C)C[C@@H]1NC1CCCCCCCC1	2003096940	BMWQEMVXQGGSQC-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H]1CCCCCCC[C@@H]1O	2003116419	IPQATNXDOAIAEJ-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCC[C@@H](CC)C1	2004711908	OMSCOUQHRFWNIA-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC(C)(C)C)C1(C)CCC(C)CC1	2007692961	QNSAQFFRUJEKOQ-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)c1ccsc1C	2007946587	MXQWVMSHVYFTOY-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CC[C@@H](C)c1csc(C2(C3CC3)CCCC2)n1	2008473323	NMCHVTGGXWZLQG-LLVKDONJSA-N	249.423	4.878	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)CC[C@H]1CC(C)C	2009405446	ZASIPUAAFXSFSM-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CCCCC[C@@H]1C(C)C	2009587924	HTKJBCYHVQLAAJ-FZZYSBJUSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCCCN[C@@H]1CCCCCC12CC2	2011271547	LBMVEHJJANZZKP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCCC23CC3)cc1	2011277896	OWBLFCQHZBMYJH-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
CCC[C@@](N)(CC)CC1CC2(C1)CC(C)(C)C2	2011847809	NMVXPJADIIWQHY-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC(CC)CC)CC(C)(C)C1	2012053251	BYKDLRLTSDDUQX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(O)C=CCC(C)(C)C1	2012055412	BKQUKMXQOUCFPV-CZUORRHYSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H](CCC(C)C)NC1CCCCCCC1	2013262761	DAEKXAXEUHQKNC-HNNXBMFYSA-N	239.447	4.904	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CCC[C@@H]1CC1(C)C	2013307830	ZUFPCYLOHGINMG-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC1([C@](C)(N)CCC2=CCCCC2)CCCC1	2014325050	RLKFMHNBGPHXBN-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC1([C@](C)(N)CCC2CCCCC2)CCCC1	2014340282	PXPDGQKBVDGMNF-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)C)C1CCCCCCC1	2015268740	FNQHXKBDMBVMEX-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C[C@@H](N)[C@H](C)CC(C)(C)C)C(C)C	2015280317	DXXFVMYDMZBSNR-UKRRQHHQSA-N	241.463	4.704	0	10	BJAE	
CC[C@@H]1CC[C@@](O)(CCC(C(C)C)C(C)C)C1	2015334344	GDRHJBOBHXONSL-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@](C)(O)C1(C)CCC1)C(C)C	2015336838	SWCZDFYHFSTDLA-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CC(C)(C)C(C)(F)F	2016145966	RRUWTJGOHKIDDP-ZDUSSCGKSA-N	248.357	4.555	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1CCCC1(C)C	2016146679	ZAHRSODAIPXEKK-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1(C(=O)CC2(C(C)(C)C)CCC2)CC=CC1	2017125275	LAIKAVGPCLKSHX-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCCC)C(C)=C(C)C	2017475241	LOPCJKKUZPJORM-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
Cc1cc(C)cc(NC[C@H]2CC[C@H](C)CC2)c1	2017721133	JPAVHGAXWPZBKP-NNUKFRKNSA-N	231.383	4.542	0	10	BJAE	
CCCC1CCC(CC2(N)CC(C)(C)C2)CC1	2017722942	RMJFGXCLHWZULH-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CCC[C@H]1CC[C@H](CC)CC1)NC	2017733612	MDPASQJSKSQUFE-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C(C)(C)CCF)CC1	2017775110	XMFNYTKLBXYDFI-JOCQHMNTSA-N	242.378	4.548	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1C=CCCCC1	2018129900	FYSSSEWJKUMDJI-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@H](C)C(C)(C)C	2018187784	IDCOHMJNQKALKJ-LSDHHAIUSA-N	241.463	4.959	0	10	BJAE	
CCC1(C[C@]2(O)CCC[C@H](CC(C)C)C2)CC1	2018968309	SMLHWSJAYQJPGI-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC=C(CC)[C@H](C[C@H](C)C(C)(C)C)NCCC	2020969620	QAVLGJFCTNDTQR-ZFWWWQNUSA-N	239.447	4.783	0	10	BJAE	
CN[C@@H](CCC[C@@H]1CCCC(C)(C)C1)C(C)C	2024091209	GGIUNWIBMWMPBY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
Cc1cc(F)ccc1C(=O)CC1(C)CCCCC1	2027276213	PKWZZLPQCHRCRS-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CC1CC(C)(C)C1	2027519118	ZHQBUUGARJZSHO-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1ccccc1C1CCC1	2028228540	YMMCXTIPUGLTDZ-WMLDXEAASA-N	246.394	4.670	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1cccc2ccccc12	2028253720	ZEZVHMHBAGBRHM-RHSMWYFYSA-N	241.378	4.522	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1)[C@H](CC)C(C)C	2028261992	ITMLLQXLKLCJER-SJORKVTESA-N	247.426	4.718	0	10	BJAE	
CC(C)[C@@H](C)C(=O)c1ccc(C2CCCC2)cc1	2031746150	OYIIDSYJJOEMOR-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCC1CCC(C2(N)CCC3(CCC3)CC2)CC1	2032251627	LFRCBWNYJBEZOU-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@@H]2CC[C@@H](F)C2)cc1	2032978313	RAIJEXPPWJCYHL-NILFDRSVSA-N	248.341	4.521	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2(C3CCCCC3)CCC2)C1	2033056525	FWWXWVALFLKFQR-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
C1CCCC(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CCC1	2033069902	TYYKPQQGHDUBBG-BFYDXBDKSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(N)CC(C2CCCC2)C1	2033782333	IPYBGZUFYJPZSX-CRYBEJKASA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1c(C)cc(C)cc1C	2035428702	ZCOCMEFMTBXMJX-HZPDHXFCSA-N	245.410	4.993	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1NC1CCCCCCCCC1	2035887065	STOKYYLPINWJTK-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@@H]1CC12CCCC2	2036129543	QZHJEPXLYOMPPG-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1ccc([C@@H]2C[C@H]2C)o1	2037137313	PMWYZHSZWWURON-UPJWGTAASA-N	249.398	4.619	0	10	BJAE	
CC1CCC(C[C@H]2CNC3(CCCCC3)C2)CC1	2037721972	USFVWEHGQLEHHC-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@H]2CNC3(CCCCC3)C2)CCCCC1	2037725102	RWVCNPHMVYWZBT-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC(C)c1cccc(NC2C[C@H]3CCC[C@@H]3C2)c1	2038622511	NHYMOUOSYFWZPE-HUUCEWRRSA-N	243.394	4.801	0	10	BJAE	
CN[C@@H](C1CCCCCC1)[C@@H]1CC12CCCCC2	2039000000	ORTXAAPNXGNFCJ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@H]1C(C)=CCC[C@H]1C	2039451572	ANJBDHUDJJGVLB-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H]1[C@]1(N)CCCC2(CCCCC2)C1	2040767843	YATUFQGCGPCDDH-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](N[C@@]1(C)CCCCC1(C)C)c1ccccc1	2041830216	DUKIWKFJGHDZLA-PBHICJAKSA-N	245.410	4.696	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@]2(C)CC=CCC2)cc1	2042015639	BYPSNSCNJWLYSJ-IAGOWNOFSA-N	243.394	4.556	0	10	BJAE	
C[C@H]1CCC[C@@H](C2(CNC(C)(C)C)CC=CC2)C1	2042099755	XZKJBDJPKQRTFA-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042346420	ZWPRIEMVGURJIR-JONQDZQNSA-N	249.442	4.536	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@]12C[C@H](C)[C@H]1C2	2042992666	NRSXKYCMDUVKKY-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@@]2(C)CC=CCC2)C1	2042999682	FJPFWQGBXKTGCM-KVULBXGLSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCC[C@]1(C)NC[C@@H]1CCC=CCCC1	2045326025	KCJLCSMQQWNBLK-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CC[C@@](C)(C[C@H]2CCC=CCCC2)C1	2045326998	RZKDKSBLOYCQLJ-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(F)c(NC[C@H]2CCC=CCCC2)c1	2045330709	YGIKMPOATGBYSZ-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@@H]2CCC=CCCC2)cc1	2045334820	LVWCZWQLEDSTIQ-WBVHZDCISA-N	244.378	4.555	0	10	BJAE	
Cc1ccc2c(ccn2[C@H]2CCCC(F)(F)C2)c1	2045449412	KJQIGFUUGNWUPB-ZDUSSCGKSA-N	249.304	4.700	0	10	BJAE	
N[C@H](CCC1CCC1)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047405333	BBKDAYXWGHBJJO-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1C[C@]1(N)CCCCC12CCCCC2	2047560275	DJIMCJPPXACINK-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CNCC[C@@]12CCCCC21CCCCC1	2047566922	TXBDELMUYIBSPO-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C[C@@H]1CCC12CCC2	2047943717	SXRXQAAYDGPNPQ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C1CCCC(CCN[C@H]2[C@H]3CCCCC[C@H]32)CC1	2048379641	BBYHECCRLAHIBH-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC([C@]2(CN)CCC=CCCC2)C1	2048635646	ZVUQNKAZKMKXJJ-VMBOVVBDSA-N	249.442	4.524	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C2[C@@H]3CCCCC[C@@H]23)CC1	2049213005	XCEUFQOYZFBFRD-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@H]2CCC[C@H](C)C2)c1F	2049539407	GOWZPXTYQSDIDK-YUTCNCBUSA-N	249.373	4.761	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2CC3CCC2CC3)CCCC1	2049796638	YHPIIKOXQPVOEK-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC1(CCNC[C@H]2CCCC3(CC3)C2)CCCC1	2049844437	ASWHIUXHPUEWRI-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCC[C@@]1(C[C@H]2CCC3(CC3)C2)CCCCCN1	2049860077	BBHXCNWUFMMFIX-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@H]1C=CCCCC1	2050449420	IFQFUPCJYPMRKD-HNNXBMFYSA-N	242.362	4.704	0	10	BJAE	
c1cc(N[C@@H]2CCC[C@@H]3CC[C@@H]32)cc(C2CC2)c1	2052286302	ILOJOSBIQBTPJD-XOKHGSTOSA-N	241.378	4.555	0	10	BJAE	
CCCNC[C@@]1(CC2(C)CCC2)CCCC12CC2	2053352997	YLAMGBBUMQKYMR-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccncc1N[C@@H]1CCC[C@@H](C)CC1	2053852908	CJUSNKZHUIMQGB-ZIAGYGMSSA-N	246.398	4.586	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)c1ccccc1C(C)(C)C	2055228611	QPZZBGMVANAGKH-QWHCGFSZSA-N	244.378	4.603	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CCC[C@H](C(C)C)C2)CCC1	2055553389	YOYIUSDAPITYEO-GVDBMIGSSA-N	249.442	4.680	0	10	BJAE	
CC1=C[C@@H](N[C@H]2CCCC3(CCCCC3)C2)CC1	2055844700	IVIYVMGFVLWWCV-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CCC1CC(C[C@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2056640350	OMSSZIHLMGKCRH-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
CC1(CCC(=O)[C@@H]2C[C@H]3CCCCCC[C@@H]32)CC1	2059239374	QBKXICZCBCTPFS-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@H]1CCCC[C@@H]1C	2060922889	VBYKRMPISQGGBY-NXNVCVFFSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CC1)C1=CC[C@H](C(C)(C)C)CC1	2061096992	YXNFSTXTYCGFPQ-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1NCC	2061561960	XZSPHEJVEWHJKB-PMPSAXMXSA-N	249.442	4.548	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@]23CCC[C@H]2C3)CC1	2061607648	RVCJPFSIMCKJMB-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCCCCC23CC3)C[C@H]1C	2062018500	RXMMFLUNUCPRAP-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)C1CC2(C1)CC(C)(C)C2	2063808967	ZKKYEDZWPPYNIY-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CC23CCC(CC2)CC3)C1	2065276467	DOVOOWXHODTYLB-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)CC12CCC(CC1)CC2	2065336213	YPHPBBPDJOUYLY-XGHPGWEVSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@@H]1C1CC1)C1(C)CCCC1	2067510696	XAAHGIJLMNKMTP-IMJJTQAJSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CC1CC(Nc2ccc(CF)cc2)C1	2067967244	YMBHJHZOSUGWLN-UHFFFAOYSA-N	249.373	4.783	0	10	BJAE	
CC(C)(C(=O)CC1C[C@@H]2CC[C@H]2C1)C1CCCC1	2068707054	FDUSMWZBBBESRP-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@](C)(N)[C@H]2C[C@H]3CC[C@H]2C3)CCC1	2069277950	CHTOMTUVPJKBAQ-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN(C)C[C@H]2C=CCCCC2)CCC1	2069330805	LYQDAOKNXOXFRS-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CCCC1(C[C@H]2CCC3(CCNCC3)C2)CCC1	2069341964	KGWDHRZNWDCEQE-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC1(CC2CC2)CCC1	2069508046	ZINKZNNOYIPFRU-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CC[C@H]3CC[C@H]2C3)CC1	2072805961	HKGGFABKTFUBLN-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCCC[C@@H]2CN)CC1	2072810210	UOZOQVCJLMBURX-BFYDXBDKSA-N	249.442	4.668	0	10	BJAE	
CCC1CCC(C[C@@H]2CC[C@@H]3CCC[C@H]3N2)CC1	2072813985	XZYNFXYXRAPVOP-LMNGEROHSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC[C@]12CCCC[C@@H]1C2)CC1CCCC1	2074031251	XSJJKKCNNYJGHC-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@]23CCCC[C@H]2C3)C1	2074048522	XNMOLMXAITURCD-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CN(CCC1CCCCC1)C[C@]1(C)C=CCCC1	2074887672	FDOXVHLLLPNMHB-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CCc1ccccc1CN(C)CC(C)(CC)CC	2075215094	SQTAYUSRYYLBPC-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
CCCC1CCC(CN2CCC(C)=C(C)C2)CC1	2075313263	XUSJBQLJQMJPNY-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CN(C1CCCCCCCC1)[C@H]1C=CCCCC1	2075405599	RDGVEASILKCNDM-KRWDZBQOSA-N	249.442	4.920	0	10	BJAE	
CC1(CCCNc2ccccc2C2CCC2)CC1	2077264907	DKKUMEFGXRECFE-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](NC)c1cccc(C(C)C)c1	2079444793	VRTMWUGTOOZZPK-HYVNUMGLSA-N	245.410	4.507	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1c(C)c(C)cc(C)c1C	2079471889	BWROPDSHGMPXLW-CABCVRRESA-N	244.378	4.539	0	10	BJAE	
CC=CCCCC(=O)[C@H]1C[C@H]1C1CCCCCC1	2079492582	RQHVRMZMHLDKHQ-HOTGVXAUSA-N	248.410	4.908	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2C[C@@H]2C2CCCC2)CCCCC1	2079839967	YZDUGKDWVIVNAS-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@H]2C[C@@H]2C2CCCC2)C1	2079842467	OEVBVWHDIOOPPR-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@H](C)NC1C2(CCC2)C12CCC2	2083547835	GARLTSSKSXJNLA-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]3CCC[C@H]2C3)CCCCCC1	2086157191	GODZANBNTUBEGR-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCCCCCC(F)F	2209996870	MDOHFYJXLOEHAX-UHFFFAOYSA-N	204.304	4.948	0	10	BJAE	
Cc1ccn([C@@H]2CCC[C@H](C(C)C)CC2)c1	2211148687	KMAHTNUKBCNGBC-LSDHHAIUSA-N	219.372	4.574	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CCC[C@H](C2)C1)c1ccsc1	2213286071	WRQPZXJMXWXAMJ-CLLJXQQHSA-N	248.391	4.537	0	10	BJAE	
Cc1csc([C@H](N)C[C@@H]2C=CCCCC2)c1C	2213634263	CICUQVHSQFTFTJ-ZIAGYGMSSA-N	249.423	4.501	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C1(CC)CCC1	2214571534	WOVLBPGRDPUXBJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1CCC([C@](C)(O)CCCCC2CC2)CC1	2214583972	PYWKHPQOSDZJLO-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
Cc1ccn(C2CC3(CCC(C)(C)CC3)C2)c1	2214626903	RODYQUUQYCZRMN-UHFFFAOYSA-N	231.383	4.718	0	10	BJAE	
CC[C@H]1C[C@@H]1CCOc1cccc2sccc12	2215345876	MQEOWFUMLZVTCX-RYUDHWBXSA-N	246.375	4.716	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216255434	DCJNGBJFQFUACH-HUUCEWRRSA-N	233.399	4.882	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC(C)C)CCCC[C@@H]1C	2217153732	OAOASGHASOIALG-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1=O	2218335292	UZWZLMLKNWSPMN-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218352228	VWFFJLRDJSWWGP-YALNPMBYSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1CCCC12CC2	2218722526	BMTBWMBIZMWRCF-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)CCCC2(CC2)C1	2218726568	NQZXDKQDZHXIML-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
C[C@H](NCCCCCCC1CC1)C1CC2(CC2)C1	2218733059	SUCNIMWIKYPYMW-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1n1ccc2cccc(F)c21	2220310610	ISFCHEGCEDABSE-SWLSCSKDSA-N	245.341	4.922	0	10	BJAE	
CC(C)=CC[C@H](N)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222948835	KSBASLASJVGUQM-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1	2222950492	XLJPRIGCCCAWAA-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
NCC1(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1	2222973632	QWNPSVYJMGIBLY-OWCLPIDISA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H](CC)CCC	2244775073	KDUGRYZKDSAPKV-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](C)C[C@@H](O)c1cc(C)c2sccc2c1	2248568239	NPWCYMVJCNAGPL-IINYFYTJSA-N	248.391	4.679	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@H]1CCC1(C)C	2248817827	XJAZJNXYEWRSHY-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)CCC1(C)CC1	2248850423	DZPCLXFTIOYBQK-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)[C@H](C)NCCCCC[C@H]1C[C@@H]1C	2248874643	XSYXCRBMTDBRSZ-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC1(O)CCCCCC1	2248874718	YFTDIAYNOVZSBA-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC[C@](C)(N)CCCCC[C@@H]1C[C@H]1C	2248879957	PLXMMTVCVURNNI-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)CN[C@H]1CCC12CCCCC2	2250377695	HDBAHQUPUPBVMY-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CNCC[C@](C)(F)CC[C@@H](C)CCCC(C)C	2250484184	CFPSLMSBGAFJGR-LSDHHAIUSA-N	245.426	4.567	0	10	BJAE	
CCC(C)(C)C[C@@H]1[C@H](N)C(C)(C)CCC1(C)C	2251712259	MBJPOOCXYXOEQG-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@H]1CCCC[C@H]1C	2252640433	VJRJSJKPSKVULL-CVEARBPZSA-N	239.447	4.569	0	10	BJAE	
CCCCCC[C@](C)(O)CC1(C)CC(F)(F)C1	2252942368	OTHBPUWLQCFNLC-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@H]1CCC[C@@H](C)C1)CC2	2253863279	KRTDZCYUNNMPNW-KCXAZCMYSA-N	243.394	4.548	0	10	BJAE	
CC1(C)CCC[C@@](C)(NC[C@@H]2CCC23CCC3)C1	2254968965	PDUYTNRVOIETJM-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1CCC12CCC2	2255013346	MNWKOEOKSSHJJS-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)c1cccc(NCCCCC2CC2)c1	2257962468	KRSIGSOLKBNODW-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CCC[C@H](CC)[C@H](CC=Cc1ccccc1)NC	2259451786	FJOLEWGFZBBROW-IRXDYDNUSA-N	245.410	4.504	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccc2ccccc2c1	2259477915	MCOQNPFHYLVWIV-CXAGYDPISA-N	241.378	4.666	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1CC2(CC(C)C2)C1	2259513533	AYNHUBHFIDQMSR-XOJNLIDHSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@@]12CCC[C@H]1CC2	2260501263	OUAGCPGTBBLGCQ-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
NC1(C[C@]23CCC[C@H]2CC3)CCCCCCCC1	2260672473	PERLSMZYVJWMAL-JKSUJKDBSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@]23CCCC[C@@H]2CC3)C1	2260680199	WFOTYXKCMWEYAI-WCXIOVBPSA-N	249.442	4.645	0	10	BJAE	
CC1CC(CC[C@H](N)C[C@]23CCCC[C@H]2CC3)C1	2261498983	DPVCUSGRKFBDHQ-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1ccc(F)cc1F	2298842119	QUIIIHWFXUXYND-LLVKDONJSA-N	241.325	4.592	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)([C@@H](C)CC2CC2)CC1	2298861853	OYKNNKXEUKTHPX-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@](C)(CCC(CC)CC)C(C)C	2300676587	QGSXHGPWYJAGPO-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1ccccc1C(C)C	2300877602	SJAGOGCPLNWHSV-MRXNPFEDSA-N	231.383	4.556	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1Nc1cc(C2CC2)ccc1Cl	2300941302	CASOWOIFCSULQH-NXEZZACHSA-N	249.785	4.674	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1CCCCCC1	2301139239	DXYGERCWNDWQDP-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCCC1(CN(C)[C@H](C)[C@H](C)C(C)C)CCC1	2301700389	GSDPLXCRTFTQLF-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H](C)[C@H](C)C(C)C	2301839910	KEJHYGOOHFMTOI-IJEWVQPXSA-N	241.463	4.719	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1C(=O)CCC1CCCC1	2303441927	CJBRSDIUHVMBRI-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1CCC(C)=C(C)C1	2303528099	ZBCJKSQBFVEILR-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
CCC1CCC(c2nc([C@@H]3C[C@H]3C)cs2)CC1	2307690065	YIYPRGPTOFRIAG-IKWCTNDRSA-N	249.423	4.950	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CCC(C)C)C1CC1	2307825618	CSSXWETYVLRKCO-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1(C)CCC(C)CC1	2307894138	PZNDWVHVDRVOTF-FYRZTWFESA-N	239.447	4.747	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@](N)(CCC1CCCC1)C2	2308396693	BHLRNGUXJVHGKT-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309129645	IDHAQTOPTJBLHI-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CC[C@@]12CCC[C@H]1C2	2310378757	JKPOXKKABIFPGE-LJIGWXMPSA-N	248.410	4.598	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2CC[C@@]3(C)C[C@@H]23)CC1	2310553712	BZFZERPCQXASRV-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H](C[C@@]23CCC[C@@H]2C3)Nc2ccccc21	2310882295	JJCHMQZJFIHDJU-LOUJCGABSA-N	241.378	4.555	0	10	BJAE	
CC(=CCC(=O)[C@@H]1CC[C@H]2C[C@H]21)CCCC(C)C	2316539108	ZLGJCIQMMFGSIP-ARFHVFGLSA-N	248.410	4.764	0	10	BJAE	
C[C@H]1[C@@H](NC2CCC3(CCCC3)CC2)CC1(C)C	2318250991	IOBDJQJZKJFVCR-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CC1(CNCCCC2=CCCCC2)CCCCC1	2318524431	NRSFVGQTYQZDPQ-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)CCCC1=CCCCC1	2318595456	PRRQRPKFCWDTIF-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC12CCC(CC1)CC2	2318931406	ZUDVCZGWHRURIQ-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)C1=CC[C@@H](C)CC1	2318937041	VETKGKFTGGNFTF-YALNPMBYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@@H]1C)CC1=CCCC1	2318944435	QDDLYYGDYOPNKD-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@H](N)CC[C@H]2CC[C@@H]2C2CC2)CCC1	2319701544	YZSDVRGFLUXCAI-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@]12CCC[C@@H]1CC2	2320218108	UCSROYZPZBUKFM-VMUDFCTBSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H]2CC[C@@H]2C(C)(C)C)c1	2320320399	NUPPDNLQCRZNER-HOCLYGCPSA-N	245.410	4.788	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)C[C@@H]1CC1(C)C	2320402880	WPGYVMMTDDYCNU-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)C1CC(C)C1	2320406315	MKCJJXCEIDLNGH-SHXOLCEUSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@@H]2CCC[C@H]2C)c1	2320518558	QTQNPDOHEUHFTD-UKPHBRMFSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C(C)C)[C@@H](C)CC	2327683015	VBLXUENUZMYLHW-YOEHRIQHSA-N	247.426	4.815	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1cccc(C(C)C)c1F	2327764458	DVZRBPGIKLOFMG-STQMWFEESA-N	249.373	4.797	0	10	BJAE	
CC(C)c1cccc(Cn2ccc3ccccc32)c1	2343793223	SVVJZLBDIBJGNC-UHFFFAOYSA-N	249.357	4.813	0	10	BJAE	
CCCCC[C@@H](N)c1ccc(CCCC)cc1	20481414	AWHXXPIMHOQWEE-MRXNPFEDSA-N	233.399	4.609	0	10	BJAE	
CCCCC[C@H](NCC)c1c(C)cc(C)cc1C	35547746	IFPJRXPHKFSFJL-INIZCTEOSA-N	247.426	4.843	0	10	BJAE	
CCCN[C@H](CCC(C)C)c1cc(C)ccc1C	35581600	XBJAWRDKDBIHIT-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)c1ccoc1C	50328676	PALPLFNQHPHCTE-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
CCCC[C@@H](CC)Nc1cccc2cnccc12	69372430	TUARAPKZFGQXLF-CQSZACIVSA-N	242.366	4.616	0	10	BJAE	
CC1(C)CCC[C@H](Nc2ccc3[nH]ccc3c2)C1	79971784	CQWUSSYUWWWFIS-AWEZNQCLSA-N	242.366	4.549	0	10	BJAE	
C[C@H]1CC(Nc2ccc(Cl)cc2)C[C@H](C)C1	82829402	SVDALCNVTOJZDL-GHMZBOCLSA-N	237.774	4.577	0	10	BJAE	
C/C(=C/C=C/c1ccccc1)c1ccccc1	83292061	KIHWPIBJULXNGT-VQDQISGBSA-N	220.315	4.803	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CN)c1ccccc1C	93104880	MDANDACEASTPSV-CVEARBPZSA-N	247.426	4.644	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC1CCCCC1	103942133	MMQLPYJGLOCZQY-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@H](NCC(C)(C)C)c1ccc(C(C)(C)C)cc1	109778720	ABUCDDZMXRXRIT-ZDUSSCGKSA-N	247.426	4.681	0	10	BJAE	
CCCc1ccc([C@H](C)N[C@@H](C)[C@@H](C)CC)cc1	109927864	XXEPLBFDEMINAI-KKUMJFAQSA-N	247.426	4.724	0	10	BJAE	
Cc1cc(C)c([C@H](N)C2CCCCCC2)c(C)c1	110196811	GPDYVACVXYMROK-QGZVFWFLSA-N	245.410	4.582	0	10	BJAE	
CCCCC1CCC([C@@H](O)CC2CCC2)CC1	123172043	BNIVSZZSBLJDGQ-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCCc2ccccc21	127661510	QXOSFKCFDFLFCZ-MRXNPFEDSA-N	244.378	4.502	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C(C)(C)CC	133446262	RIHVGDILKAFTEG-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)[C@H](NC)c1cccc(C2CCC2)c1	133616779	IVYYROVOHXDJQX-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCCCCC[C@@H](NC)c1ccc(CC)s1	133705090	NNYQEKFMSDNLHP-CYBMUJFWSA-N	239.428	4.541	0	10	BJAE	
Cc1ccc2oc([C@H](O)CCC(C)(C)C)cc2c1	135630084	ZDUKCCHTUKHUOF-CYBMUJFWSA-N	246.350	4.601	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1CCCC1)NCC	162720782	XRENHUPNWRNQMM-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)C[C@@H](O)CCC(C)C	199571711	BXAYKLSHZOOQIQ-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCC[C@@H](C)C2)cc1C	222510994	KACNOWDZYKIZFR-PVUWLOKVSA-N	245.410	4.533	0	10	BJAE	
CCCN[C@@H](c1ccoc1)[C@H]1CCCCC1(C)C	226833439	QIZCBSWYHMHQPG-CABCVRRESA-N	249.398	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCC[C@@H](C3CC3)C2)C1	227867922	VIVGWWQKJWGTPM-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)CC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1N	251366012	SYCODYXBFUMBSF-BYNSBNAKSA-N	239.447	4.602	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)[C@@H]1CCC[C@H](C)C1	251997078	ZRZBKSAEFVWRMJ-DJRMKIQDSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(NCCCC(C)(C)C)cc1Cl	300858779	NHMHEUWFQOLTIF-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1cccc(C2CCC2)c1	305913206	JFVDWBWNOLXSAO-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
c1cc2c(c(CCC3CCCCC3)c1)NCCC2	306029662	ZZXIKQRONGIXCP-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CCc1ccc(N[C@@H](C)c2ccc(C)o2)cc1C	306057847	VYGCEALLEDDKAZ-ZDUSSCGKSA-N	243.350	4.632	0	10	BJAE	
Cc1cc(C(=O)[C@@H](C)C(C)(C)C)sc1Cl	306602053	BFNLWPSIWGJLML-MRVPVSSYSA-N	244.787	4.575	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1CCCC1	308102512	GXCYUHGNFFHOEL-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1(C)CCC1	308115928	VHKSGJZSYVXMSO-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](CCC[C@H](N)C(C)(C)C)C1CCCCC1	310334401	MJLRKBWROWGHCI-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)CC2CCCCC2)C1	310408790	MCPZQFIAZVXOAP-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CNC(C)C)CC1CCC(C)CC1	310418601	NOTABAJWKZJAEE-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)CC1CCC(C)CC1	310797584	WMEIVSGVUCYNKK-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CC(C)CCCCN[C@@H]1C[C@H](C)c2ccccc21	311002648	YDKWJSIJOMWANS-WMLDXEAASA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H](c1c(C)cccc1C)[C@H](C)C(C)C	319554542	JVFFUKJTZOWLOZ-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CCSc1ccccc1N[C@H](CC)C1CCC1	322744874	ADOMMMPDTANQKS-CYBMUJFWSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2CCC[C@@H]3C[C@H]23)cc1	378904545	YJVRBTWFXMBLJT-IRWJRLHMSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@@H](C)CC(C)C	380221546	WARNGNFOUWJUTK-AWEZNQCLSA-N	234.383	4.932	0	10	BJAE	
CC(C)c1ccccc1C(=O)C1CCCCCC1	381190007	WZVUAFVYEAXWJC-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC[C@H](C)[C@H]1C	383259051	XLQAZRSZCDCQLZ-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCCNC[C@@H](CC)CCCCCC(C)C	383273750	NVSBUNUKUQENDC-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
Cc1ccc(O)cc1-c1ccccc1C1CCC1	383287917	KXKGRGHWEMHVJD-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)Cc1ccccc1	383558505	RSJFTOKBOSMUSY-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
CCCCC[C@H](N)CC1CCC(C)(C)CC1	390529189	KVSGHNNZOVRDEM-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1CC[C@H](CC)CC1	392848925	AVPZDGHOYPLJIP-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CSc1ccccc1N[C@H]1CCCC12CCC2	394739600	LQWMBFPDSRVRPO-AWEZNQCLSA-N	247.407	4.543	0	10	BJAE	
COc1ccc(C)c(NCCCCCC(C)C)c1	394855070	HWDOMZOWVXGBBL-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CCC2=CCCCC2)c1	395061918	HFQRHNMFUICGCE-KRWDZBQOSA-N	243.394	4.584	0	10	BJAE	
CCc1cc(CC)c2sccc2c1SC	396178490	ULNBWTUKZWNTBP-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1csc2cc(F)cc(C(F)(F)F)c12	396302358	RMNNDLYWEOJUPF-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CN[C@@H](CC1=CCCC1)C[C@H](C)CC(C)(C)C	401087699	SFXKZMSTUJXNSW-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@H](N)CCC(C)(C)C1CC1	405773641	ARNUGEFAVUOXDG-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CCCC2CC2)CC1	406038847	RQHUSZAIGMYPAE-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCCC(F)(F)C1	688965418	RSPYPDIDYKDIGU-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@](N)(CC)CCCCc1ccccc1	690561774	FJVVLXXNRNORHZ-QGZVFWFLSA-N	247.426	4.697	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)c1cccc(C(C)(C)C)c1	691656712	XZJOAEAVSKINFW-HEHGZKQESA-N	247.426	4.666	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@@H]1CC2CCC1CC2	691727568	LQGPXTLUWNLGTG-UMPYDWHISA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@@]12CCCC[C@H]1C2	693183341	NYYLTUHTINDQSY-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCCC[C@@H]2C2CC2)c1	696108470	ZFZDUWIFCRLQBC-IAGOWNOFSA-N	243.394	4.684	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1ccc(C2CCC2)cc1	696176626	KEVJRJAUKMOWKG-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1cc(C)sc1C	696809786	ZCDUPLDRFAEPJF-CYBMUJFWSA-N	240.412	4.615	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C1(C(C)C)CC1	697559256	QBWRVYCSGMHUSS-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1CC(C)(C)C1	701484834	DSSXPPDGYCAUHX-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@H]2CCCC[C@@H]2C)CC1	704834360	XHHRSBWSWVMLOZ-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1C1(CN)CCCCCCC1	704890711	LEIRWKMWWNUUEL-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(N)CC1CCCC1	704915244	RQEDBAGTRXTOQU-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@H]1CCCC12CC2	706215026	JUTNSGLNAPOKKA-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)CNCC[C@@H](C)C[C@H](C)CC(C)(C)C	709080512	OMNMCQAUGKSJHP-CABCVRRESA-N	241.463	4.721	0	10	BJAE	
CCCC1(CN[C@H](C)[C@@]23CCCC[C@@H]2C3)CCC1	709246608	NKBKXOQZEOFXOY-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1C[C@H]2CC[C@H](C2)C1	710869927	GZNIUECURIBNJY-QXSJWSMHSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](C[C@@H](CC)C(C)(C)C)c1ccccc1	711054955	RCFAMJQNOQZMNS-HZPDHXFCSA-N	247.426	4.800	0	10	BJAE	
CCC[C@H](C)C[C@H](C[C@H](CC)C(C)(C)C)NC	711100446	ZALASPCFTFANAE-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CCCC12CCCCC2	713129073	JBUNRBPINRTQGB-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCC[C@@H](C(C)C)CC1	713242289	IHBKSGBQIFAOCG-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCSc1ccccc1NC[C@]1(C)CC1(C)C	717147267	PSQXAMGTBVARFC-HNNXBMFYSA-N	249.423	4.647	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1cscc1C(F)F	720336137	JQSDHZQQLPKIQX-SNVBAGLBSA-N	247.354	4.512	0	10	BJAE	
CC[C@@H](C[C@@H](N)CC1CC(C)(C)C1)C(C)(C)C	723558045	SFWISKPQTRPBGO-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC23CCC(CC2)C3)CC1	1308357682	KJFCDNMSLFKSOU-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
C1CCC(CSC[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	1559364101	RYRPOKJYPMOGBW-KFWWJZLASA-N	238.440	4.736	0	10	BJAE	
CC(C)CSc1nc(-c2ccccc2)cs1	1656060888	FFJYTCUKHDJMOO-UHFFFAOYSA-N	249.404	4.558	0	10	BJAE	
CC(C)(C)Sc1cc(F)c(Cl)c(F)c1	1775954651	YLHNUBFDXHRXHK-UHFFFAOYSA-N	236.714	4.509	0	10	BJAE	
CC(=O)C1(CC=C(C)CCCC(C)C)CC1	1900866605	LCEUAXSYNAQRQD-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCc1cscc1NCCC[C@@H]1CC1(C)C	1902380899	HNIZYMQOZOPVQB-GFCCVEGCSA-N	237.412	4.549	0	10	BJAE	
CCC(CC)C1(CNC2CC2)CC2(CCCC2)C1	1912566538	ZFKOUCYQOGUNBJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C1(CN)CC2(CCCCC2)C1	1912578284	GIAIPSJWZNHNJD-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1CCCCC1(F)F	1919489970	DHFBDNWDLCWLAK-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@@H]2C=CCCCC2)C1	1925735187	DMZBPZUMUTXRHW-QXSJWSMHSA-N	248.410	4.764	0	10	BJAE	
CCCCCCC(=O)CCC[C@H]1CC1(C)C	1935939079	DYWPFPKZCAUIIV-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)CCCCCC(C)C	1936207422	VNOSKSZBGUEWPX-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)CC(C)(C)C(C)C	1940245298	WPAHNDJDAQEDPW-MRXNPFEDSA-N	241.463	4.704	0	10	BJAE	
CCCCCC1(CNC(C)C)C(C)(C)C1(C)C	1940295258	AZWVXUHWONKNAM-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CO)CC1(C)CCCCC1	1940406529	MDMIPFREXUXKDN-MRXNPFEDSA-N	240.431	4.926	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)CC1CCCCC1	1940883327	USTRTUNARSAZEX-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1ccc2sccc2c1	1941264526	MJMSZBXGMYNSGB-HIFRSBDPSA-N	247.407	4.583	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CC1=CCCC1)NCC	1941268610	HUIFFCSUKQSLRY-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNCC(C)(CC)CC	1941358948	VFHZBWRNRRODJF-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CCC2CCC2)CC1	1941470439	QEOQNIKWMYBTCM-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(O)CCC1CCC1	1941472489	AMXHAUQEXXVNFO-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(CCCCCC1CC1)[C@H]1CC1(C)C	1941596657	NCSISXZDRAYPQR-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
Cc1c(Cl)cccc1NCC1CCC=CCC1	1941821053	HWPSVGMNQHFDKW-UHFFFAOYSA-N	249.785	4.807	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC1CCC(F)CC1	1944533315	GGKAXLAMXJEWRM-UHFFFAOYSA-N	242.378	4.546	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@H]1CCC[C@@H]1C	1944846902	STNKMBKOENKCKZ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H]1CCC(C)(C)C1	1945577847	AFYMZEIIKANXMW-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)c2csc3ccccc23)C1	1945600701	VJOKAABOBQOUAU-WDEREUQCSA-N	244.359	4.520	0	10	BJAE	
Cc1cc(-c2csc3ccccc23)ccc1O	1945616857	OSYBKIROMKALOI-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CC(C)C1(C(=O)c2cccc3sccc23)CC1	1945955748	DKVQGHKTBIAULY-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)c1cccc2sccc12	1945970647	QUWAFNBNWXNJEK-XHDPSFHLSA-N	247.407	4.583	0	10	BJAE	
CCC1CC(Nc2cccc(C3CCC3)c2)C1	1946972829	RTJAQCVSFIKSCU-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)NCC(C)(C)CC(C)C	1948329045	YKTLRPZKCUDQFM-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](C1CC(C)(CC)C1)[C@H](C)CCC	1948412645	GQWMQIZRNMMUDB-CIDNJEQPSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H](CC)CC(F)F	1949018739	JJQOJVOWWTWXKC-TZMCWYRMSA-N	249.389	4.746	0	10	BJAE	
CCCC[C@@H](NCC)[C@H]1CCC2(CCCC2)C1	1949454725	ZFNKNDOAPXXGBI-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccccc1O[C@H]1CCC(C)(C)C1	1949501466	MXOJKNIACJAYFP-ZDUSSCGKSA-N	232.367	4.768	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCC23CCCC3)CC1	1963196280	XTRFYUHMEIQXSO-PCKAHOCUSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc([C@@H](C)NCCCCCC2CC2)c1	1966299944	KBAOOXCZDAJGON-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2[C@@H](C)[C@@H](C)CC[C@H]2C)c1	1968341128	IILZDZJZGVJESF-RSUWNVLCSA-N	249.373	4.617	0	10	BJAE	
Cc1ccc(F)c(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	1968342470	ZEDLQFSMVNYARP-WDNDVIMCSA-N	249.373	4.618	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC2(CCC2)C1)c1cccs1	1968963764	ZQOLGVCWIMYBMQ-CHWSQXEVSA-N	249.423	4.512	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H]2CCC3(CCC3)C2)C1	1969303277	MLLARKSHZKQHSF-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CCCC1)NC1CC2(CCCCC2)C1	1972429149	XLZGSFGWDLQVTC-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CC(C)(CN[C@H]1CCCC2(CCC2)C1)C1CCC1	1972662959	RZOLHDOYJCOULQ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@H](C)CCC	1978647900	BPYLTSCRWMIPBP-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC1CCC(CC(=O)c2cccs2)CC1	1980688588	XCIPDUGALOBELP-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
CCC[C@H](CC)NC1CCC(C)(CC)CC1	1981064327	XQUHXUARWIXDLC-NFOMZHRRSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@@H](C)NCC(CCC)CCC	1981290651	VITXBBGDKCFBFF-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCCCCC[C@@H]1CCC(C)(C)CC[C@@H]1O	1984465982	IGDLJCRYXIOLSZ-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCC1(C[C@@H](N)C(C)(C)CCC)CCC1	1988465069	WYYSNNGEHNOHPA-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCCC(=O)CCC[C@H]1CCCC(C)(C)C1	1994026506	QLIZLCGBOZRSID-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
C[C@H]1C[C@@H](NC2(C)CCCCCC2)CC[C@H]1C	1995826806	NYHGFHAPQPYEGO-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCN[C@@H](C)CC1=CCCCC1	1998377403	LPBMVPOPYSHNJJ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1C=CCCCC1	2000217651	AURLCFGBHMHMJG-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@](C)(CN)C[C@H]1CCC=CCCC1	2000505298	PUEOHQYAJMETGB-HOTGVXAUSA-N	237.431	4.668	0	10	BJAE	
CCCC[C@@](CC)(CCC1CC1)CNC1CC1	2000505990	WZFNFUMPEFSQHP-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)C[C@@H]1CC1(C)C	2000516452	WRDRGQFLYRIZKT-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CCCC(F)F)CNCCC	2000517328	BUBXWRIWNQOSIN-AWEZNQCLSA-N	249.389	4.618	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@@H]1CCCC(C)(C)C1	2002981769	JCIFEMKZYCVXOC-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)C[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2002998930	PBRXIVYSKNZGHW-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CN(CCCC1CC1)C1CCCCCCCC1	2003173376	XNAMWAWWVJLUHB-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC1(C[C@@H](N)CCC[C@@H]2CC2(C)C)CCCC1	2003178249	ACSHVZSTZXWTAR-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1CC[C@@H](CC)C1	2004234997	VXRKIWYASWESHW-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCCCC[C@@H]1C	2004710772	CMPVSKUWZUVCSP-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@H]1CCCCC12CC2	2005562826	FQZJSVWFFOAPSQ-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CCCCC12CC2	2005593175	ZLXYICRSJLLNAT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H](C)C2CCC2)CC1	2007682066	UTKKGQXCFCLRFZ-MFOWVQHXSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C[C@@H](C)CC	2007934253	IHMGVLDZZQIOGC-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(CCC2(C)CC2)CC1	2009545192	XJUZBEIWRDXDAV-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@H]1CCC[C@@H]1CNC(C)(C)C	2009617250	QMCNLVXFZFYCOA-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N)(CC2CC(CC)C2)C1	2009788069	AQJOHINIIMTNCX-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(NCC[C@@]23CCC[C@H]2C3)c1Cl	2010995715	SGOWFJFWPHIIJO-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H](C)C2CC3(CC3)C2)c1	2012411407	LCMOEEARMBOTMN-NSHDSACASA-N	249.785	4.639	0	10	BJAE	
CCC[C@@](O)(CC12CCC(CC1)C2)C(C)(C)C	2012809842	JEMWURQCKPRAIE-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(CCC(=O)[C@H](C)C(C)(C)C)C(C)C	2015392694	SQALQMRIOSRPHN-ZDUSSCGKSA-N	240.431	4.946	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCC[C@H](C)C2)CCC1	2015589643	XVNPKPBWNAMQNR-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@]2(O)CC[C@@H]2CC(C)C)CCC1	2015634329	QXGVDSVUNLWGIU-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCC1=CCCCC1	2016142708	AXVDDFNHJIJECM-OAHLLOKOSA-N	235.415	4.601	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C[C@H]1C[C@@H]1C	2016852408	QDFWFFAZJNJEAO-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)C1(C(C)(C)C)CCC1	2017131113	LLTSBWMNQJISMW-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C2CCCCC2)CC1	2017661819	FROWVYZSLYATHC-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CCC[C@H]2C)CC1	2017729294	VDUTZNBGDZAGGE-PRLABOORSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CN[C@@]1(C)CCC(C)(C)C1)CC(C)(C)C	2017907539	KAZXJTVMYBUDQI-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCCCN(C1CCCC1)[C@@H]1CCC[C@@H](C)C1	2020540283	WSFDATPITDRNNK-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CCCCc1ccc(C[C@H]2C=CCCC2)cc1	2021486945	KSYZGLNCKYOVFW-INIZCTEOSA-N	228.379	4.928	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1C[C@H]1C1CCCC1	2022455657	YGYJKJUEDHWWJF-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC1(N)CCC(C)(CC)CC1	2022564005	UIVPQSHCMFUZOF-WXLSXGNJSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)C2(C)CCCC2)C1	2024096076	UJOLQLJARDDCGZ-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@H]1CCCC(C)(C)C1	2024100600	DNVVILHMIZXHIY-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(CCC2CCCCC2)C1	2025627090	HNFGJQQBCXCAJY-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCNc1cccc(C2CC2)c1	2027832316	KXQDVUMOSZKSMG-OAHLLOKOSA-N	243.394	4.802	0	10	BJAE	
C[C@H](C(=O)c1cccc(C2(C)CC2)c1)C(C)(C)C	2028551521	HAFJZASLWWGOFT-GFCCVEGCSA-N	244.378	4.603	0	10	BJAE	
Cc1cccc([C@@](C)(N)CCCCCC2CC2)c1	2028636439	IQCFTJLFXPEFKN-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@]1(N)CC(C)(C)CC2(CC2)C1	2030282956	ZVHICSYXKLHUKT-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CNC2CC2)CC12CCC2	2032138454	KLEXQQGNYSSKQE-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1OCC(C1CC1)C1CC1	2032161700	TUPDNQUVIHIEKX-UHFFFAOYSA-N	244.378	4.625	0	10	BJAE	
CCCCc1ccc(NC[C@@H]2CCC[C@@H]2C)cc1	2032512373	ALVKZFFWJLRJBA-HOCLYGCPSA-N	245.410	4.877	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N1CC=CCC12CCCCC2	2032662537	ZCQGLUJBCSMRBI-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
C1=C[C@H](Cc2ccc(OC3CCC3)cc2)CCC1	2035561682	GAZGBBQOAMYLJU-AWEZNQCLSA-N	242.362	4.517	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)c1cccc(C2CC2)c1	2036356121	VQOOZQIKLNGATH-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)c1cccc(C(C)C)c1	2036381635	GYMNZFWWTZNLCO-WMLDXEAASA-N	247.426	4.666	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1)C1CCCC1	2036664309	JOBXYLIUTDTUKW-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@H](c1ccccc1)C(C)C	2037097168	HJXRBQWQWBCLLH-XIRDDKMYSA-N	247.426	4.580	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(C2CC3(CCC3)C2)CC1	2037136443	ZZUKYACMQFKNOL-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@@H]2C=CCCCC2)C1	2037272883	HYQAUVOMTOQZCZ-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CCc1ccccc1N[C@@H](C)C12CCC(CC1)C2	2039860050	ROZKMBRGOBTILB-CBCUQQMYSA-N	243.394	4.630	0	10	BJAE	
C(=Cc1nc2ccccc2s1)c1cccs1	2040456598	BWDGNWJHZJGREN-UHFFFAOYSA-N	243.356	4.528	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@H]2C=CCCCC2)CC1	2040650751	LWKDSJBLSSNOPS-ODZFXCKXSA-N	249.442	4.667	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1cccc(C2(C)CC2)c1	2040719732	RIMRSPYIQLMMPU-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](NC)c2ccccc2)CC1	2041379749	NHADITPAGLLJKY-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC[C@H]2C=CCCC2)CC1	2041541752	SOOUKDZYWJXTAG-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H]([C@H]1CCC1(C)C)[C@@]1(C)CC=CCC1	2042021998	NGNKIWONGDWQCZ-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@@]1(C)CC=CCC1	2042023658	DLCSDVXESVAWIG-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)C2CCC2)CC=CCC1	2042094600	RLIWRZSEJOWVCG-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC1CC([C@@H](C)Nc2ccccc2C2(C)CC2)C1	2043542596	CGONHRWSDNCVGZ-ROKHWSDSSA-N	243.394	4.585	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C12CCC(CC1)C2	2045310623	OQVUSOPGWOMLRN-HPUBIQBYSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CC(C)=C[C@@H](C)C2)C1	2045559642	BFYQGEVPIDOZRB-DMRZNYOFSA-N	248.410	4.764	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C1(C(C)C)CCC1	2045817731	GRGLEXAYPCGHIM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCNCC(=C[C@H](C)C1CCC1)C1CCCCC1	2045871160	FMYQNXBGGNIVHB-AWEZNQCLSA-N	249.442	4.539	0	10	BJAE	
NC1(C2=CCCCCC2)CC2(CCCCCC2)C1	2046229459	BQXPJEDNRMNDHA-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
C[C@H](NC[C@]1(C)CC=CCC1)[C@H]1CCC[C@@H](C)C1	2049542264	CHVAYALXMQIDAV-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
NC1(C[C@@H]2C[C@H]3CC[C@H]2C3)CCCCCCCC1	2049678991	QZNMOCNKIUMSLV-JYJNAYRXSA-N	249.442	4.645	0	10	BJAE	
Cc1cnc(C)c(NC2CCCCCCCC2)c1	2049682931	ZIWXECLSRSCVJO-UHFFFAOYSA-N	246.398	4.613	0	10	BJAE	
CC[C@@](N)(CC1CCC2(CC1)CC2)[C@H]1CC1(C)C	2049859140	SOMQAXSPUMTZOL-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCCCC(=O)c1ccc(F)cc1	2050494738	LWJVFUSGMPOWDO-ZDUSSCGKSA-N	248.341	4.615	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCC[C@H]3CC[C@@H]32)CC1	2052288710	PHTHJYFDJNNNRW-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNC2CC2)CCCCC12CC2	2053355019	GVMPFBDSSYYILH-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@@H]2CCCCC23CCC3)C1	2053356586	FIKJWRAOVKIZFO-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)C1(C)CCC(C)CC1	2056555925	BTZPULGMIHXEMN-JCCCHCCOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CCC[C@H]2C[C@@H]12	2057352194	AQUFUVMOPWKOKC-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1=CC[C@H](C)CC1)C1(C)CCCCCC1	2060920995	IFUOYCVVUXSDPB-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@]1(C2=CC[C@H](C(C)(C)C)CC2)CCCN1	2061095715	OVYZLLRCHHLHNF-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)C[C@]23CCC[C@H]2C3)C1	2061608660	YRUVOORPBXEKRN-ICEJCHNJSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)C[C@]12CCC[C@H]1C2	2061616025	IFXHETXIBWOIRZ-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCN[C@H](C)c1ccc(C(C)C)cc1	2062371937	KPFWQFWASQCTAY-OAHLLOKOSA-N	245.410	4.817	0	10	BJAE	
CC(C)C1CC(CC(=O)C23CCCC2CCC3)C1	2063862574	BPOGAUAEFTZJPU-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C[C@H]1CCCCN1)CC12CCC(CC1)CC2	2065340187	SUYWSXNKDGUMBH-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2C[C@@H]3CC[C@@H]3C2)c1	2068757808	KWXSDCLSWTZGFZ-RBVVOMGSSA-N	243.394	4.658	0	10	BJAE	
CC(C)C(Cc1ccc2c(c1)CCCN2)C(C)C	2069005575	YNRVGLOISMSPAW-UHFFFAOYSA-N	245.410	4.515	0	10	BJAE	
CC(C)(C)C1CCC(NC2(CC3CC3)CC2)CC1	2069493371	XASNXRFDSLHKSH-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C2(CC3CC3)CCC2)C1	2069514544	KPAUJSZPLLGMFZ-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@H](N)CC1(C(C)C)CCC1	2071947316	YVJYSTCZPNAWAB-BZUAXINKSA-N	249.442	4.523	0	10	BJAE	
CCCC1CCC(CC(=O)c2occc2C)CC1	2072872047	WZUJGVUUWLISQE-UHFFFAOYSA-N	248.366	4.767	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2072881549	KLJHULWVTZITMJ-LISQQWEMSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1OC[C@]12CCCC[C@@H]1C2	2074092176	VMAPGIHSLRTBGT-RHSMWYFYSA-N	244.378	4.769	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@H]1CCCCC12CC2	2074647364	WSNYDTSLZSNOIV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@H](CC)N(C)Cc1cccc(C)c1	2074786703	KBDBUGBNLJLNLZ-QGZVFWFLSA-N	247.426	4.786	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H]2CCCC(C)(C)C2=O)CC1	2076444802	WTPVKHAVHQDHNB-UKRRQHHQSA-N	248.410	4.764	0	10	BJAE	
C1CCC(NC[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079447037	NFQIKVYHORRVQA-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CNc1ccccc1C(C)(C)C	2079618089	CZUKVQFJADQRJU-UONOGXRCSA-N	245.410	4.688	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@@H]1C[C@@H]1C(C)(C)C	2079625904	GUZNBPMDHHJTOG-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C1CCC(CC)CC1	2080260432	PCMFHDNHLHZHPP-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@]1(CC=C1CCC1)CNC(C)(C)C	2081682426	VYCVYIJLSVPEGC-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2081790705	YPTOKVFLIPDLIH-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCCCc1ccc(NC[C@]2(F)C[C@H]2C)cc1	2085465001	YTPPPRWAQHGYIC-CZUORRHYSA-N	249.373	4.579	0	10	BJAE	
CC[C@@H](C)CC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2213280064	OVYSRIOHRZKXIB-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(CC[C@@H](N)C2CCCCC2)CCC1	2214765005	CYSOAPFBIGKBTA-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CC[C@H]1C[C@H]1CC	2215247807	GXHRUJWMAHBIMC-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCNCCCCCCCC1CC1	2216883085	GSZFRRARLJTRBK-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](C)C1(CN[C@@H](C)CC)CC(C)(C)C1	2217124989	LSQPJMCZKJZLJE-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(NC2CC(CC3CC3)C2)cc1C	2218480916	XKZMVLPKRPQYNV-UHFFFAOYSA-N	243.394	4.548	0	10	BJAE	
CC(=CCCCCCC1CC1)C1CCC(N)CC1	2218727370	SFAMQKZXTPUSJM-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1[C@H]2CCCC[C@H]21	2218730415	FHONAKCDGBOBHX-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C[C@@H]1CCC2(CCCC2)C1)C1CCCCC1	2220291265	GTAUYUJSOGEZEG-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H]1CCCNC12CCCCC2	2220919604	PNVPBXDTAMSJDY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1CCCCC1)[C@@]1(C)CC=C(C)CC1	2221624164	MSVFAXYFLUGIES-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)[C@@H](C)c1ccc(C)cc1	2223954997	NRFMKGMZRBULNY-DOTOQJQBSA-N	246.394	4.596	0	10	BJAE	
CCCC[C@@H](CC)CSCCCCC(C)=O	2246089058	CYEPAPLKBFSGLX-CQSZACIVSA-N	244.444	4.695	0	10	BJAE	
Cc1cccc(NCCCC[C@@H]2C[C@@H]2C)c1C	2247099418	UEHOOCIFVZAPMZ-DZGCQCFKSA-N	231.383	4.542	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)[C@H](C)CC(C)(C)C	2247460896	HEODPQYMQVTRHP-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)CCCCC[C@H]1C[C@H]1C	2248805197	FKYPMGUXNFJCKX-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CCCCC(C)(C)NCCCCC[C@@H]1C[C@@H]1C	2248865932	MMRYSSBOCMPKOS-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CNC[C@H]1CCCCC1(C)C	2250380507	HFUPUGCJVKDWNK-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@H]1[C@@H](C)[C@H]1C	2250483409	ZQXHCXFBHUXMHN-AYDFFVQHSA-N	238.415	4.700	0	10	BJAE	
CCCC(CCC)NC[C@@]12CCCC[C@H]1CC2	2251135034	AGOCNIUSLAZFKC-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)CCCC2CC2)C1	2251533659	DTXKCHNZZUXNCO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)N(C)[C@H]1CC(C)(C)CCC1(C)C	2251723426	XVJCVDUBYSKBFM-AWEZNQCLSA-N	239.447	4.712	0	10	BJAE	
CC1CC(CC[C@H](O)C[C@@H](C)CC(C)(C)C)C1	2251765844	VRVYOCVZAFXIPR-JYVUQVBGSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1ccc2ccsc2c1	2253052711	AEOMHYJFBYABEO-ABAIWWIYSA-N	247.407	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)C[C@H]1CCCCC12CC2	2253833580	QVDLFQNXKDCAAE-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CC[C@H]1CCCCC12CC2	2253849794	DEFFVAAFOAWCKD-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1C[C@@H]2CCCC[C@@H]2C1=O	2254507301	AYFJXSUXSWUVIH-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCCC[C@H]2C[C@H]2C)CC1	2254576590	HJGKLPRMHYALBD-VYDXJSESSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)CC(C1CC1)C1CC1	2254590866	XKSYFEBAJLUQFI-WFASDCNBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@]1(N)CCC12CCCCC2	2254593142	HPODMYDEPPTUMC-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@](O)(CC1=CCCCC1)C2	2255062928	JRVYVJHAQRDNLT-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
C1=C(CNC2(C3CCCCC3)CCC2)CCCC1	2255103154	NCAMWAHPBHTHHD-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC1(C)CC(C)([C@H](N)CC[C@H]2CCCC23CC3)C1	2255283307	XRTJQHRPQZPYJZ-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
N[C@H]1C[C@@H]2CC[C@H](C1)[C@@H]2CCCCCCC1CC1	2258026653	JSDALDURFRWKRQ-WNKDZCFJSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(OCC2CC3(CC(C)C3)C2)c1	2259549882	RYRPUNIEBWWMIY-UHFFFAOYSA-N	244.378	4.509	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1C[C@H]2CC[C@H]1CN2	2259612087	DTCPCVUANBLRHV-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(C[C@H](N)[C@]23CCCC[C@@H]2CC3)CC1	2260499297	DJMCCHVXLRYKID-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
NCC1(C[C@@]23CCC[C@@H]2CC3)CCCCCCC1	2260675620	YSQXPKOKBDYVMT-WBVHZDCISA-N	249.442	4.646	0	10	BJAE	
CC(C)(C)CC1CC([C@@H](N)C[C@H]2C=CCCC2)C1	2261194508	QTWYXZYVXYAGQJ-LBDPXKHJSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC=C([C@H](N)C2CC(CC(C)(C)C)C2)CC1	2261199128	QSFPSFBQQVCOPO-XCAIRMDXSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CCC2CC(C)C2)NC)CC1	2261491466	ZVAPHXPMXUNBLQ-BJDYSFLHSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C[C@@H](N)[C@@H](C)CC1CCC1)C(C)(C)C	2298878319	KBODMWIJZWXYIU-NWANDNLSSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC1CCC1)C[C@@H](O)CC1CCCCC1	2298940968	ZNOJFFCYAUWOFZ-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)=CCN[C@@H](C)C1CCC(C)(C)CC1	2300866637	BDKZHXQPOFSFAF-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
O[C@@H]1CCCCCC[C@H]1CC1CCCCCC1	2301140131	MJOPGUWNWRGOMT-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CCC1(C)CC(CN)(CC2CCCCCC2)C1	2301236042	JABJZACUBAUCTJ-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
COc1ccc(CCCC(C)C)cc1C(C)C	2302229324	SQSTUBVTMZCUEJ-UHFFFAOYSA-N	234.383	4.797	0	10	BJAE	
CCCCC[C@H](C)NCCCC1=CCCCC1	2302315458	JLUAKISUTWLTDK-HNNXBMFYSA-N	237.431	4.825	0	10	BJAE	
CCC1=CCC[C@@]1(O)CCCC1=CCCCC1	2302353248	CVSUUCWENHLGDX-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@H](C[C@](C)(N)C2(C)CCCC2)C1	2302897376	ZLUNQHXHLRZAOK-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC1(CC(=O)[C@H]2CC[C@H]2C(C)(C)C)CCCC1	2303398144	ZOXNQSCPFDIGRB-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCNCC(C)(C)C[C@@H]1CCC(C)=C(C)C1	2303520810	HWBIDYKQFQLTNJ-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)[C@H](CC[C@H]1CCC(C)(C)C1)NC	2304412100	RCTFLMPLMBISIB-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)CCC2CCC2)C1	2304416356	SFTGNDCVXGMILA-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)Sc1cccc(C(=O)CC2(C)CC2)c1	2307558158	ASUUIARHALUHTE-UHFFFAOYSA-N	248.391	4.560	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)C(C)(C)C)c1F	2307572907	YYANSGGDANGAJI-NSHDSACASA-N	237.362	4.796	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CNCC)CC=CCC1	2307746223	CAXADPWQEGFQCL-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](CC)CC1(N)CC2(CC(C)(C)C2)C1	2307818976	HCIXAWKINUPQDY-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CCC(C)(F)F)NCC	2307898358	JPDDNFUFANBLRD-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCCC1(C[C@@]2(N)CC[C@]3(C(C)C)C[C@H]23)CCC1	2310753303	XLQWUZFAEMRJRQ-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]([C@H](C)CC2CCC2)Nc2ccccc21	2313642840	VYQYJSQSVXQJTK-XNJGSVPQSA-N	243.394	4.801	0	10	BJAE	
CCc1cc(CC=Cc2ccccc2)ccc1C	2314643065	OAZPHCDCNWXSAQ-UHFFFAOYSA-N	236.358	4.813	0	10	BJAE	
CCC(CC)CC[C@](C)(N)c1cc(C)cc(C)c1	2316274505	ATAKYSGHMFGUEV-KRWDZBQOSA-N	247.426	4.694	0	10	BJAE	
CC(=CC=C1CNC2(CCC2)C1)CCCC(C)C	2316541721	JFDGTFCVMQCUAD-UHFFFAOYSA-N	247.426	4.601	0	10	BJAE	
CC(=CC[C@@]1(N)CC[C@H]1C1CC1)CCCC(C)C	2316562693	CSBYKKIKYLKBKU-DLBZAZTESA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)CC[C@@H]1C[C@H]1C	2318576332	NZMYLEJAGFPTSH-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)C[C@@H]2CCC(C)(C)C2)C1	2319115256	KETPCQDTCSYHBG-QCEMKRCNSA-N	249.442	4.523	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)C[C@H]1CCC(C)(C)C1	2319314184	SWLFQRMMJLOKRA-FZKCQIBNSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCCC[C@@H]3C[C@@H]32)CC1	2319447803	BXMLPQREKVPYNU-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CC1(CC[C@@H]2CN[C@H]3CCC[C@H]3C2)CCCCC1	2319506123	KEMVDGHOOONWKZ-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1CC[C@H]1C1CC1	2319580934	KWPSEXBIRFGBAW-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
C[C@H](O)CCC[C@@H](c1ccccc1)C1CCCC1	2319735572	YBAXLBKIXYYJPH-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN(C)[C@H]1C=CCCCCC1	2320019193	KOJAITPYAOVNHP-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
C[C@H](C[C@H]1CC[C@@H]1C(C)(C)C)c1cccc(N)c1	2320241752	WVEYCSFMCJQAJD-XPKDYRNWSA-N	245.410	4.835	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@]23CCCC[C@@H]2C3)C1	2321628162	PPNHSCWMGJQYQE-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](c1cc(C)ccc1C(C)C)C1CCCC1	2327672469	FAZVTKMJPFZNLU-KRWDZBQOSA-N	245.410	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)CCc1ccccc1	2328267605	CCZCUQGSORGPDX-RDJZCZTQSA-N	247.426	4.553	0	10	BJAE	
CCCCCC[C@@H](C)NC1[C@@H](C)CCC[C@H]1C	34995404	XVQKMAGDYWOSMJ-IUOOZAAYSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)Nc1cccc(F)c1C	68987229	VVAHSJQCVSITDE-GFCCVEGCSA-N	223.335	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCC[C@@H]1C	71084803	STZRQTLARZMJPA-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@](CC)(CNCC)C[C@@H](C)CC	71127917	WZPMRMYKXGBMTQ-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CCCc1ccc(N[C@H]2CC[C@@H](CC)C2)cc1	80428015	VQEDUHICBRJQMZ-CJNGLKHVSA-N	231.383	4.630	0	10	BJAE	
CCCCC[C@@](C)(CCC)CNC(C)(C)C	82441811	TYAAHWSSXNPGLS-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCc1ccc(C(=O)[C@H]2CC[C@@H](CC)C2)cc1	88011131	WPFJFRWDBBTVBD-CJNGLKHVSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1ccc(CCC)cc1	93074195	PRJBMEHKMHTFGF-QGZVFWFLSA-N	247.426	4.868	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1	93519167	KDTRZWFVGVFNEQ-IMJJTQAJSA-N	243.394	4.658	0	10	BJAE	
C/C=C\C[C@H](C)c1cc(CC)ccc1CC	107473388	DDZVOPFAKHNXBT-UJZCVKTISA-N	216.368	4.881	0	10	BJAE	
CCCCCC[C@]1(CNC2CC2)C[C@H]2CC[C@@H]1C2	110197032	ZSHZVCURNDCIQT-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(Br)cc1C(C)C	143021103	PRPXVGIZSPFBAF-UHFFFAOYSA-N	241.172	4.696	0	10	BJAE	
CC(C)(C)c1ccc2[nH]c(C3(C)CC3)cc2c1	144523856	BFRKGGUINYLBDS-UHFFFAOYSA-N	227.351	4.517	0	10	BJAE	
CCC(C)(C)[C@H](O)c1c(C)ccc2ccccc12	161006366	WFSUTAJYGNMVSB-MRXNPFEDSA-N	242.362	4.618	0	10	BJAE	
Cc1ccc([C@H](N)CC2CCCCCC2)cc1C	161912789	AAKQCEHSXASFTO-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H]2CCC[C@@H](C)C2)c1	165529007	PUFAALDEQVUHIG-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1cc(C)cc(C)c1	165739106	HOAXZUNHHNSJTN-GDBMZVCRSA-N	244.378	4.703	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CC(CC)CC)CC1	167644914	ILVILTCGJCPESQ-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@H](C)NC1C[C@H](C)C[C@@H](C)C1	219587242	RITHOBUTXYLORR-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@H](C)[C@H]2C)c1C	227003449	AJYPZYZJNYGKMM-JGGQBBKZSA-N	231.383	4.540	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H]2CNc3ccc(Cl)cc32)C1	235443095	QOJGCZZEESSRGO-GYSYKLTISA-N	249.785	4.675	0	10	BJAE	
C[C@H]1CC[C@]2(C)CCC(C)(C)C[C@@H]2[C@@H]1C	238461129	PEBJZQBEEWPOET-KYEXWDHISA-N	208.389	4.885	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC[C@H]1CNC	251411778	XCYRINCGSFUBGT-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	252896512	BREYHCVAJJBAGH-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C2=CCCCCCC2)C1	300129328	CJGQRMPGOGLWJG-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CCCC(C)(C)C	300858166	LTVINOHCXHXDSZ-ZIAGYGMSSA-N	227.436	4.747	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@H]1CCCCC1(C)C	304162555	ICCYYIQCLXTTAG-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCc1cc2cc(Cl)sc2cc1CC	306637381	BNMGSTTXKQSGSZ-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CC(CC)CC	308043636	DIURRFXQRXUFKD-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CCC(C)(C)C)NC	308049383	KLUOVTAVGIWTAE-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@H](C)C1)CC(C)(C)C	310109528	DXOIKIYTKHNUNQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@H](N)C[C@H](C)CC(C)(C)C)CCC1	310168398	SSCSWJMYMDELLD-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C(C(C)C)C(C)C	310215764	FUDDCZWZPPQNPH-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CCCC1([C@@H](NCC)c2cc(C)ccc2C)CC1	310930372	LKUIVFMLSODNNT-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCCCC[C@]1(CNCCC)CC[C@@H](C)C1	318305012	OENBGCDNXBFHMG-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H]1C[C@@H](C)c2ccccc2N1	320118795	ITRLYNNKFJNKLD-RSUWNVLCSA-N	231.383	4.657	0	10	BJAE	
C[C@H](Nc1c(Cl)cccc1Cl)C1CCC1	382086662	KCPQDNRVVXBSNZ-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CCC2(C)C)cc1	383338472	JMISLSZGEWIUFV-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1CCCC[C@@H]1C	384527708	YTFQRUQHNGMNCX-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CC(C)NCCC(C)(C)C[C@@H](C)c1ccccc1	384902401	NOHAWEOJRITXPC-OAHLLOKOSA-N	247.426	4.595	0	10	BJAE	
CC(C)[C@@H](N[C@H](C)CC(C)(C)C)c1ccccc1	384945328	QZXAKFRGOASQMV-GDBMZVCRSA-N	247.426	4.798	0	10	BJAE	
CC(C)NC[C@H]1CCC[C@@H]1CCC1=CCCCC1	385003447	WEOVUMPORWLABS-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CNc1ccc(Cl)cc1Cl	394561278	MGAZFVIVUQJZPB-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
CSc1c(C(F)F)ccc2cc(C)sc12	396400526	CSDKFSNIOKVWTO-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)[C@@H](C)C(C)(C)C	399134735	VTAKXYFMQOASCQ-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CC1=CCCC1)C1CCC(C)(C)CC1	400469054	PNNRPKMVLILLHE-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
N[C@H](C[C@@H]1CC[C@@H]2C[C@H]2C1)C1CCCCCCC1	403808214	HGYKPUOUFDYNTJ-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@](C)(CNCCC)c1ccccc1	405690740	MSVULQHIHRAFFY-QGZVFWFLSA-N	247.426	4.524	0	10	BJAE	
Cc1ccc(NCCC(C)(C)C2CC2)c(C)c1	406065684	LLOCLVXVPOXQHR-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)CC2CCC2)c1	689616579	ZTGGBSCHAGAZFE-CYBMUJFWSA-N	245.410	4.802	0	10	BJAE	
NC1([C@H]2C=CCCCCC2)CCCCCCC1	690415548	WZHHNUIPUAOYEE-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CCCC1(NC[C@@H]2CC3CCC2CC3)CCCC1	691727501	KQASGMYMHNQGHS-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@@H](C)C1CCC1	692685420	QLTKMLBWBWNKTO-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
C1CCCC(N[C@H]2CCCC[C@@H]2C2CC2)CCC1	696113665	WGNKEIBKFGRGNY-SJORKVTESA-N	249.442	4.658	0	10	BJAE	
CC(C)=CCCOc1ccccc1C(C)(C)C	697784820	QUBLWZHLZFJJIA-UHFFFAOYSA-N	232.367	4.719	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)CCC2CCC2)C1(C)C	699024069	MBYDTWDKGRCMLF-WBMJQRKESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1C[C@@H]1C(C)(C)C	699994071	XZGHFTFMWJJOKC-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Oc1ccccc1C(C)(C)C	704924765	BKSYIGPCVUCYFH-UKRRQHHQSA-N	246.394	4.942	0	10	BJAE	
CC(C)CC[C@@H](NCC[C@H]1CC=CCC1)C1CC1	706867961	LLFOSAOIJZTIRC-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@@H]1CCCC12CC2	707149602	IIAGWFPCHBKANV-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@](N)(CC)C1CCCC1	707636921	OTYFRTFBARILCB-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
C[C@H](CC[C@@H](CN)c1ccccc1)CC(C)(C)C	709086874	ZLYYHDHLXNOQFT-ZBFHGGJFSA-N	247.426	4.581	0	10	BJAE	
CC[C@H](NC[C@H]1CCCC2(CC2)C1)C1CCCC1	709974818	JBQSWUJMRULDGR-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CCC[C@H](O)c1ccccc1)C(C)(C)C	710718678	MGHNYDHIDXISNY-ZFWWWQNUSA-N	234.383	4.573	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)C(C)(C)C)C(C)(C)C	711183074	APTJYEBHDSCSJZ-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC1(CC(=O)c2cscc2Cl)CCCC1	711566969	USELSKHXJFKRAD-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1C[C@@H]2CCCC[C@@H]21	712486406	FBYATXQUJJWEOU-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)CCC(C)(F)F	713987065	YKPULDPSHUUCFV-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CCCCCC(C)(C)CNCCC(C)=C(C)C	718532014	ITTCCTLJSOHFTF-UHFFFAOYSA-N	239.447	4.929	0	10	BJAE	
CC(F)(F)CCCC1(CN)CCCCCCC1	718584768	JNDGUUQDSNZIAW-UHFFFAOYSA-N	247.373	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)c1ccc(C)c(C)c1	718687699	DNONIEJJGILQRH-KRWDZBQOSA-N	246.394	4.647	0	10	BJAE	
CCCCCC[C@H](CCCC(C)(F)F)NCC	718722444	NQKWPPYUCDYOEF-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
CC(C)NC[C@]1(C2CCCC2)CCC=CCCC1	719073795	CIZHYUCORXDJLV-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCc2ccccc2C1=O	719176372	RVFMHOWJCLVXJU-HNNXBMFYSA-N	242.362	4.568	0	10	BJAE	
CCCN[C@@H](CCC)[C@H]1CCCCCC1(C)C	719220787	SQZKBKHVAVMURD-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1cccc2ccsc12	723132991	BYELGXXFHVAIFT-PWSUYJOCSA-N	244.359	4.520	0	10	BJAE	
C[C@H](C[C@@H](N)CC1CC(C)(C)C1)CC(C)(C)C	723568800	QHBBEOGURGOLIB-TZMCWYRMSA-N	239.447	4.602	0	10	BJAE	
O[C@]1(C2=CCCCCC2)CC[C@@H]2CCCC[C@@H]2C1	723648362	BEFKLWLHFFOLKW-ZMSDIMECSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2C[C@H]3C=C[C@H]2C3)cc1	829367863	KWBGMAAHIVLIGI-HPZZRFSDSA-N	241.378	4.577	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCCCC(C)C	1205889752	KHPXAWOBDFWODD-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCC1(C)CCC(N[C@@H](C)C2CCCC2)CC1	1308816013	UECNCDMMEXZWGG-JEYLPNPQSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CC[C@@H](Sc2nccc3ccccc23)C1	1473050746	DVXVLFLQKVIORT-WCQYABFASA-N	243.375	4.516	0	10	BJAE	
CC(C)CCC[C@@H](C)NCC[C@H]1CC=CCC1	1659836901	VSDDSGBLGSSRTJ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC[C@](O)(CC)C[C@H](C)CC	1900700305	CIZQZGDPUMFBBE-UKRRQHHQSA-N	228.420	4.780	0	10	BJAE	
CCC(CC)CCC[C@H](O)CC1CCCC1	1900709719	NJMIQPWJADRXIS-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCc1cscc1N[C@@H]1CCCC[C@@H]1CC	1902377504	VDZQAJPBBZQMIJ-WCQYABFASA-N	237.412	4.691	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCC[C@H]1CC	1905364588	COZKTAURJCXPOA-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@H]1C[C@H]1C(C)(C)C	1910807648	KYLGYRNELAXTGZ-HZSPNIEDSA-N	238.415	4.700	0	10	BJAE	
CC(C)c1ccccc1-c1nc(Cl)cs1	1911596503	BWVOHEIILACRBP-UHFFFAOYSA-N	237.755	4.587	0	10	BJAE	
CC=C[C@H](C)Cc1ccc(SCC)cc1	1911808899	LQIIDJMASIXKCR-LBPRGKRZSA-N	220.381	4.553	0	10	BJAE	
C=CC=CCC[C@@]1(CNCCC)CC[C@@H](CC)C1	1912104938	FITZUOURYDYFHX-IAGOWNOFSA-N	249.442	4.705	0	10	BJAE	
CC1CCC(C[C@@H](N)C2CC3(CCCC3)C2)CC1	1912645316	JYPODPXQEAWBQR-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CC1(C)C(C(=O)C2CC3(CCCCC3)C2)C1(C)C	1912646827	BDZRQEWKECIUFJ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1CCC2(CCCCC2)C1	1915873127	UVCGTDJREYKGIN-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
O[C@@]1(C[C@@H]2C=CCCC2)CCC2(CCCCC2)C1	1915892950	PBPVNKMXPPUUBX-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc2nc([C@@H](C)C3CCCCC3)[nH]c2c1	1924122519	UAYKXOOMTDQBIY-LBPRGKRZSA-N	242.366	4.555	0	10	BJAE	
CCC(CC)CCNC[C@@H]1CCCC[C@H]1CC	1926169474	CRRHKOTXRHTBEC-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C[C@H]1C=CCC1	1926184810	JURWDGYOPMOGPC-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC1(C)CCCCC1)NCC	1935619351	ALWWTSBBWURZSR-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC1(C)CCCCC1	1935621062	RYILDRMHBHZKBF-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC[C@H](C)CCC)NCCC	1939109191	AVSYMOQAVCXGLE-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H]1CCC[C@@H](C)CC1	1939903030	JMQUHBKWDWPGIQ-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C)CNCC(C)(C)C1CCCCC1	1940761678	BOFWSUINFQJCJK-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CC[C@H]1CC1(C)C)CCC(C)(C)C	1940857425	XDOXJKDMXXYTTO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CCCC1CCC=CCC1)NCC	1941793590	QCSMVVSKELSYAM-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](CN[C@@H](C)CC1CCCCC1)C(C)C	1941930278	YCDQJMVXYWZUPS-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@H](N)c2sccc2C2CC2)CCCC1	1942506690	XTLYFOISCJFZGP-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)([C@@H](C)CCC(C)C)C1	1942656705	CIKLOYPLNHFRHB-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)CC1C[C@@H](C)C[C@H](C)C1	1944204752	RTPDHMDRIUNCNT-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@H]1NC(C)(C)C1CCCCC1	1945382529	PCKFHBALBCYPJT-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)[C@H]1CCC1(C)C	1945748220	KAGBVNQNHKDADF-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(F)(F)CC[C@@H](N)C[C@H](C)CC(C)(C)C	1947993066	KKLDCCWMLJSSAU-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@H]1CCCC(C)(C)C1	1948326110	JVPWGYAVGIOSDZ-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)[C@@H](C)CC(C)C	1948327078	NSAJVOWTFPOQMP-JJXSEGSLSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CCC(C)(C)C1CC1	1949033720	LHPKDPUSWIVYIG-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2CCC(C)(C)C(=O)C2)C1	1949655095	AYKWXJOOKYNFGP-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(C)(CNc2ccsc2Cl)C1	1961133317	AMQALZASPKOXCU-UHFFFAOYSA-N	243.803	4.640	0	10	BJAE	
Cc1cc(C)cc(OCC[C@@H]2CCC[C@@H](C)C2)c1	1968307133	DWDHSNTWSZOAHU-CJNGLKHVSA-N	246.394	4.899	0	10	BJAE	
Cc1cccc(OCC[C@@H]2CCC[C@H](C)C2)c1C	1968364180	ILNBUYKOHVUWKZ-BBRMVZONSA-N	246.394	4.899	0	10	BJAE	
CCCCC1CC(NC2CCC3(CCC3)CC2)C1	1973042571	AMGKNCCAUKVPAP-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC1(c2cccc(N[C@H]3CCCC3(C)C)c2)CC1	1973399398	ZXISQTPDWMWFIQ-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1C=CCCCC1	1976002981	HLBCAQMELMPNRO-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CC1(C)C[C@H]1CCCCC(=O)c1cccs1	1980686919	HVALXCKVTSNTEC-LLVKDONJSA-N	236.380	4.537	0	10	BJAE	
CCC(C)(C)CCC[C@H](NC)c1cccs1	1980691913	HYXKZEWLAMPNDG-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H](CC(C)C)C(C)C	1984595015	KPQGLQYWAMFXJH-UZYOAWRESA-N	224.388	4.620	0	10	BJAE	
CCCCN(CCCC)[C@H](C)CCC(C)C	1990893574	LZDBLXRLCIVIAH-OAHLLOKOSA-N	227.436	4.713	0	10	BJAE	
C[C@@H](CN(C)CCCC1CCC1)CC(C)(C)C	1995745561	ZJZMCSXBGJJBER-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2C=CCCC2)CC1	1998381220	UUTSIFVXEUWCOW-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CCCNCC[C@H](C)C[C@H]1CCC=CCCC1	1999996141	MCQPLOUVGVGOHM-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCC1(C(=O)[C@@H]2CCCC(C)(C)C2)CCC1	2000191707	GYUMSPIBNDOTGV-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C(=O)CCCCCC2CC2)CCC1	2000194422	BCTIJALUBJEXQG-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC1(C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCC1	2000195040	LYENYIWZFCILPZ-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(CO)CCCCCC2)C1	2000657597	YFNPJIHDKSSNTA-GJZGRUSLSA-N	238.415	4.536	0	10	BJAE	
CN(CCC(C)(C)C)[C@H]1CCCC(C)(C)CC1	2000896268	IFBAEVLRCAQOJP-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1CC12CCCC2	2001258815	JBKITGQGMDRMRT-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CN(C1CCCCCCC1)[C@@H]1CCC(C)(C)C1	2003165812	APFDRIMUNLMPLV-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CC[C@H](C)CN(C)C1CCC(CC)(CC)CC1	2004363209	POUCFRKLNVBWII-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@@H]1CC[C@@H](C)[C@H](C)C1	2004724645	CUWYCDDPXPDVDG-RRCSTGOVSA-N	239.447	4.602	0	10	BJAE	
CCCC(CCC)[C@H](CC1CC(CC)C1)NC	2007746202	HYLRTGHDHODSCV-XUJLQICISA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CC(=O)[C@H]2CCCC(C)(C)C2)C1	2007765161	FKFXKFWGAUVIKF-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC1([C@](C)(O)C2=CCCCCCC2)CCCC1	2014327381	XWZBNLYEIWJNRA-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C[C@]1(O)CCCCC1(C)C)C(C)C	2015284634	PJCFABSYFCVUQL-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@@]1(O)CCC[C@@H](C)C1)C(C)C	2015335661	MQOXCBPVVXZEEM-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@H](C)CCCC(C(C)C)C(C)C	2015344652	LMLWFHQNSPCUGA-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@H](C)C(C)C)CC1	2015399973	PHKHWFOHRSTMAW-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CC1(CC(=O)C(C)(C)CC(F)F)CCCCC1	2016027219	FPBITXQHHHBXQT-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[C@]1(C)C[C@@H]1C	2016467182	JRUIBRNCXRVFJH-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2(C(C)(C)C)CCC2)C(=O)C1	2017125204	ZILMJPBSQVFLMP-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCN(CC1(C(C)(C)C)CCC1)C(C)(C)C	2017127774	SMNTXXCUGHNCEX-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCC=CCNC[C@H]1CC[C@H](CCC)CC1	2017663030	NNAGQWZDOQXQQJ-WKILWMFISA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)c1ccccc1	2018137129	RXPPVWRXOSSTLO-GDBMZVCRSA-N	233.399	4.696	0	10	BJAE	
CCCCN(Cc1cccs1)c1ccccc1	2019320962	IYUUWHNSYKVDBF-UHFFFAOYSA-N	245.391	4.555	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H](C)[C@H]1CC1(C)C	2019343843	FJCDROXQRFVGGH-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCCN(C1CCCCCC1)C1CCCCC1	2020536232	UBAGSDLJHTXIHE-UHFFFAOYSA-N	237.431	4.754	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1CC(C)(CC)C1	2020968563	LWBRZMDOZFQGDW-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
CCC1(CNc2ccccc2C2CCC2)CC1	2021026702	BJUOTJKESHXHDR-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCCCCCN[C@@H]1C[C@@H]1C1CCCCCC1	2022440128	MLFBXMQSJGOLNJ-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1C[C@@H]1C1CCCC1	2022453443	GGTRUEOGDZBXHB-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)c1cc(C)c(C)s1	2023980459	RJKVILNNYDTJAD-HZMBPMFUSA-N	248.391	4.540	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cc(C)cc(C)c1C	2024076629	OMDRXXQFADIQAF-LLVKDONJSA-N	232.367	4.621	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CC1CC(CC)C1	2025434646	CZZMDOZTWWYMJS-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H]1CC[C@](O)(CCCCCC2CC2)C1	2025571593	CMMQJWFGJIABKY-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H]1CCNc2ccccc21	2027835286	AESLMUFCOGDCDI-KBPBESRZSA-N	243.394	4.802	0	10	BJAE	
CC1(CCCC(=O)C(C2CCC2)C2CCC2)CC1	2027842668	KBGVKWMKIZLAKO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c(C(=O)CCC[C@H]2CC2(C)C)c1	2027844156	XJQFJULEBDYCPQ-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CCCc1ccccc1[C@@H](N)C1=CCCCCC1	2027901304	JOEOIDHMNHYVGL-KRWDZBQOSA-N	243.394	4.529	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1cccc2ccccc12	2028229794	NRGMHAGFJPWANT-PBHICJAKSA-N	242.362	4.555	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1cccc(C2CC2)c1	2028551157	CJFIUYHZDXHVMA-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccccc1C1(C)CC1	2028575721	NRDHAVMKLGYRCT-ZDUSSCGKSA-N	244.378	4.747	0	10	BJAE	
CCCNCC(=C[C@H](C)C1CC1)C1CCCCC1	2032149452	KRYOMKUPARZIHW-AWEZNQCLSA-N	249.442	4.539	0	10	BJAE	
CC1(c2ccccc2NCCCC2CCC2)CC1	2032246912	SZNDHEZXDMIQTR-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
C1CCCC(N2CCCCC23CCCCC3)CC1	2032659746	KNAXZBCIOYESRN-UHFFFAOYSA-N	249.442	4.898	0	10	BJAE	
CCCC1(NCc2ccc(C(C)C)cc2)CCC1	2033054982	FTMDRHPKJLDHKO-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
CC1(C)C[C@H]1C1(CNC2CC2)CCCCCCC1	2033635596	QHOXLGZMOOEURD-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCc2ccc([C@H](C)CC)cc2[C@H](O)C1	2034179238	ZZWDPAMGTXWPDM-PBFPGSCMSA-N	246.394	4.596	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC2(CCCC2)C1)C1CC1	2034372285	VNEPTPXENXBNPS-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CCNCC1(C[C@H]2C=CCC2)CCCCCCC1	2035592881	OKGYFFZPBPMLKS-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)c1cccc(C2CC2)c1	2036353629	FBMXHDCALCCPEW-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)[C@@H]1CCC2(CCCC2)C1	2037690662	NKKYPUGDBMODBS-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](N)[C@@H]2CCC3(CCCC3)C2)CCC1	2037703005	MQYCTBBNVCMBTD-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@@H]2C=CCCCC2)C1	2039032403	NAIZKLMYXQCAMO-BBWFWOEESA-N	249.442	4.680	0	10	BJAE	
C1CCCC(NC[C@H]2CC23CCCCC3)CCC1	2039058978	QRYRNPJUORYVRS-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC1([C@@](C)(N)CC[C@H]2C[C@@H]2C2CC2)CCCCC1	2039849582	MKVUBFWQCYTGFW-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](CC2(CN)CC3(CCCCC3)C2)C1	2040182458	QCKHYBZTQLTCBV-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
CCCC(C)(C)C(=O)c1cc2cc(F)ccc2o1	2040719922	UJKLIGVXYAWHSY-UHFFFAOYSA-N	248.297	4.581	0	10	BJAE	
CC1CCC(CN[C@@H](C)CC2=CCCCC2)CC1	2043195523	VHBZHQZTWLOWBV-CKDBGZEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)NCC1(C[C@H]2CCC=CCCC2)CCC1	2045324600	XFCGYLJZQFGHPT-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)C1	2045459762	HEBJUVHRVQRHBD-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](N2CC[C@@H]2C2CCCCC2)C1	2045519719	KIVQFVQJTPLWTI-JKSUJKDBSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2CCC23CCC3)C1	2047932983	QLONKLZIVXDHEG-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H]2CCC23CCC3)CC1	2047956120	LDAKVMNGQQNHAI-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048368597	AYZUQUPSPRZJFH-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@@H]1CC12CCCCC2	2048874003	HOGVIHZUAMSDHS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCCN1C[C@@H]1CCCC2(CC2)C1	2049936168	QJFMSDJCVCMBJL-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCC1)C1(C)CCC(C)CC1	2056553130	OVZZMFJFLFCZGP-GMRIPVOYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H](C)C1CCCCC1	2056873549	OJGDCNWPLBRXEY-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)C1(C2CC2)CCCC1	2057605933	IJEDECOBOBOSNY-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC2CC2)CCCC[C@H]1C	2059258018	CJTDQMHRZHAIJW-JUPLKNRCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C(C)C)CC1)C1(CC)CC1	2061085055	OEVQCQZQQNDALS-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@H]2CCC[C@@H](CC)C2)CC1	2061118662	JCROOEMWMHCQKQ-TXCZRRACSA-N	249.442	4.667	0	10	BJAE	
C[C@H](NC1CC1)[C@@H](C)C1=CC[C@@H](C(C)(C)C)CC1	2061151804	VODLINRMFAIRAB-VNHYZAJKSA-N	249.442	4.536	0	10	BJAE	
C[C@H]1CCCCCCN1CC1CC(=C2CCC2)C1	2061672343	QMPMAWDPPHCBRI-AWEZNQCLSA-N	247.426	4.532	0	10	BJAE	
CCC[C@](O)(CCC[C@H]1C[C@@H]1C)c1ccccc1	2062604177	VFWYUSXAPPJLPX-ZOBUZTSGSA-N	246.394	4.501	0	10	BJAE	
CC1(NC[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCCC1	2063472633	VKWXXIRHAGMJGV-PHZGNYQRSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(N)(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063488666	CIBKYIOTWJDDLO-JSGMBBGDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1C[C@H](N)CC2(CCC2)C1	2063640577	LNBXUYIFQVEPHV-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCCC23CCC(CC2)CC3)C1	2065258286	HRJPJKONLJXFJH-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@H](N)CC12CCC(CC1)CC2	2065280216	RUZDCPABOBNQIE-VPABYTGTSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CC12CCC(CC1)CC2	2065337826	CMLDGDHTLRXGJU-ODZFXCKXSA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@]12CCC[C@H]1C2	2070969436	AOEAZEKRJFGCLY-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCNC[C@]1(C[C@H]2CC[C@H](CC)CC2)C=CCC1	2072798513	KCNNKXLHRXSYNU-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCC1(CC2(CNCC(C)C)CC=CC2)CC1	2074626914	PGYUNEPWADAVRV-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@H]1CCCCC12CC2	2074885873	PJQLLXKEQALZDB-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)[C@H]1C=CCCCC1	2075364783	IYIXVNZFDZOTBQ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC)([C@@H]2C=CCCCC2)C1	2075365161	LNPHXZHIIKFACR-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2075565641	RARAVRHXIDFMNV-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(NC[C@@H]2C[C@H]2C2CCC2)CCC1	2079279640	VJZJBIDXNQCWDM-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1C[C@@H]1C1CCCC1	2079432478	SUHJCMCDWHMIQD-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CC1CC2(C1)CC(C)(C)C2	2079487504	RALLFMDVWPSBIX-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(O)c(C(=O)C(C)(C)CC)c1	2082437217	ZMWBNLRGBKPJHR-NSHDSACASA-N	248.366	4.525	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)CCC2CCCC2)c1	2082941491	HAMBXINTYCRPML-QGZVFWFLSA-N	246.394	4.616	0	10	BJAE	
Clc1ccccc1CC=Cc1ccccc1	2210662745	SPMYKDJYZJJYTK-UHFFFAOYSA-N	228.722	4.596	0	10	BJAE	
CCC[C@@H](N)CCCC1C[C@H]2CCC[C@@H](C1)C2	2213300915	YIGPFKWWYQVMAD-VFSICIBPSA-N	237.431	4.501	0	10	BJAE	
C[C@H]([C@@H](N)CCCCCCC1CC1)C(C)(C)C	2213572946	BVIZTABIKGIOMT-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C1CCC1)[C@H](N)CCCCCCC1CC1	2213577278	AEMPXWQIWXMFTJ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(CCCCC2CC2)C1	2214583178	OBLSDTLUCCKSTN-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)n1ccc2cccc(F)c21	2214782960	SJURDVOPKFZIDN-GFCCVEGCSA-N	233.330	4.778	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CC1(C)CC(C)(C)C1	2215382368	FDUPKQCDMPBPQV-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)[C@H](O)CC1(C)CC(C)(C)C1	2215466330	VYABSQZDLUWZTA-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)CCCC(C)(C)C)CC1	2215801861	KPZHFQOLEXZYBK-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)C[C@@H](O)CCCCCCCC1CC1	2216896594	PRECPOHTYBKCDT-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](CC=Cc1ccccc1)C(CC)CC	2219085544	NMQQZCDFDMKFGC-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)c1ccc(C)o1	2220045851	PLCXWIUCYRDNLI-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC2(C)CC3(CCC3)C2)CC1	2220937278	XAKHKSAAWXDTIB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CC2(N)C[C@H]3CCCC[C@@H]3C2)C1	2221041946	VLGCGXUZUKTVFU-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CNC[C@@H]2CC=C(C)CC2)CC1	2221613157	BYJZWTHRLIUVPQ-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CCCCCC2CC2)CC1	2221615331	LDYJFGULBUAGFK-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CC2(C)CCCC2)C=CCC1	2223598345	UGAOPNFXBXHJPX-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
FC(F)(F)CCCCC1=CCCCC1	2241444076	OTTXRKBAMFFRJY-UHFFFAOYSA-N	206.251	4.610	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1(C)CCCCC1	2244779268	CWCKIWVYGVQWAH-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@]1(O)CC(C)(C)CCC1(C)C	2245448351	WTKVMZFUPFXMNL-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC1([C@H](N)c2ccc(C3CCC3)s2)CCCC1	2250295432	XIMDWTAUZGWBTB-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@H]1CCCC(C)(C)C1	2250409530	QZGPHHQAVATURB-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCC[C@](C)(CN)CC[C@@H](C)CCCC(C)C	2250466958	LYUAXJNQWBPYFP-HOTGVXAUSA-N	241.463	4.994	0	10	BJAE	
CCC[C@@H]1C[C@@H]1NCC[C@H](C)CCCC(C)C	2250489521	ZNTCWSNGNDFQHB-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@]12CCCC[C@H]1CC2	2251119742	VRPRPDVGNGHAEF-DZKIICNBSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)c1ccc2ccsc2c1	2253090048	QROCXFHEEKOHHG-GXFFZTMASA-N	244.359	4.520	0	10	BJAE	
CCN[C@@H](CC1(C)CC(C)C1)[C@@]1(C)CC=CCC1	2253660136	BINKCCRSSBSHTP-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@H]1CCCCC12CC2)C1(C)CC1	2253803147	FJBNHDRTMWNEGD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@@H]1CCC[C@@H]1C)CC2	2253869675	JNOUYBPMLHIQIY-RCBQFDQVSA-N	243.394	4.548	0	10	BJAE	
C1CCC(CCNCC[C@H]2CCCCC23CC3)C1	2253882668	CFFMGYLWVKRZCX-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](NCC[C@H]1CCCCC12CC2)C1CCCC1	2253890189	JKSSLRRZKQEMAD-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CC[C@@H]3CCC[C@H]32)C1	2253926430	ADEYGCJEQVUSOX-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@](C)(N)[C@]12CCCC[C@@H]1C2	2254588284	SFQVLLZGDOUGMR-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CCC2(C)C)cc1C	2254962857	SJWOUISUXLZTSV-AWEZNQCLSA-N	244.378	4.621	0	10	BJAE	
CC(C)C1CC(C(=O)CC[C@H]2CCCC23CC3)C1	2255303728	MEZKVDOMIUJPPJ-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)C[C@@H]2CCCC[C@@H]21	2257313142	UUXRXJYWQSQPER-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CNc2cc(C3CC3)ccc2F)CC1	2259124288	GJTFOAKBPSHQLK-UHFFFAOYSA-N	247.357	4.695	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)c1cccc(C(C)C)c1	2259431211	OYBKKYXHGSITRI-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@]12CCCC[C@H]1CC2	2260549939	QSNZSETYTJWOCO-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2c(ccn2C[C@]23CCC[C@H]2CC3)c1	2260580986	CIZOTUKJKRRXLN-DOTOQJQBSA-N	239.362	4.530	0	10	BJAE	
CC(C)CC(C)(C)Nc1ccnc(C(C)(C)C)c1	2260750374	UHLNOSLVIZAONS-UHFFFAOYSA-N	248.414	4.616	0	10	BJAE	
CC1CC(CC[C@H](N)c2ccc(C(C)C)cc2)C1	2261510458	BRZQZXDUCVVNPB-KVULBXGLSA-N	245.410	4.636	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@H](O)C[C@@H](CC)C(C)(C)C	2298125170	OEJJQRLEAUCJMM-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298386856	TWUFPZNHIQVVCG-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](C)CCCC(C)C	2300501531	OLHXBZXSRQFAHH-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CCCC(F)F)CCC(CC)CC	2300676174	LUOUONPMOVAABL-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
Fc1ccc(C(F)F)c(C[C@@H]2C=CCCC2)c1	2300773586	RUCFJLNJTOBKST-SNVBAGLBSA-N	240.268	4.662	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1(CC)CCC1	2300870378	TYNYIUMCLOBYTL-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H]1CCCC[C@H]1CC	2300876461	GXVRLAXDRRPSQV-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC2CCCCCC2)[C@H]1N	2301247049	MHRWRRQYNAWWKF-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC[C@@H](C)[C@@H](C)C(C)C)C(C)(C)C	2301845604	YZVYPLVRJVCSGA-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1C=CCCC1	2301920535	DERUNJNXTFMYLF-OAHLLOKOSA-N	232.367	4.583	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H](C)[C@@H](C)C(C)C	2301959694	VUORWHDHKSQILA-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)CC1(C)CCCCC1	2302616250	VEFQGMGIMLNMFV-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@H]1CCC(C)(C)C1	2302671259	MNLXDZPWIRHPNA-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](CC)(CO)C[C@@H]1CCC(C)(C)C1	2302722664	OWAONRJXGGEADS-GDBMZVCRSA-N	240.431	4.782	0	10	BJAE	
CC[C@H](C)NCC(C)(C)C[C@@H]1CCC(C)(C)C1	2302879093	XCGCKDFXTAFIRJ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H](CC1CC1)C1CC1	2303857834	ILLFHJRHXMBZIT-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C)C[C@H](C)CC[C@H]1CCC(C)(C)C1	2304418018	KWEFCGUUZVEXMA-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CC[C@H]1CCC(C)(C)C1	2304438017	APPUGRSRNNCGNJ-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
C1=CC[C@@H](c2nc([C@H]3CC34CCC4)cs2)CC1	2304496961	HWINCFVPPOSQSE-VXGBXAGGSA-N	245.391	4.624	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccc(C=O)s2)c1	2307500909	JTMAVCOBVWOVPU-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)C(C(C)C)C(C)C	2307825887	GKPYNLLYLBJSJA-ZBFHGGJFSA-N	241.463	4.848	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)C1(C)CCCCC1	2307839446	YSQHBTZYMLNKTG-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN)CCC(C)=C(C)C1	2307840744	DCPTUKOAIIJTJR-HOTGVXAUSA-N	237.431	4.668	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@]1(C)CC=C(C)CC1	2307902066	IMYZCHLPSUBRAP-ZBFHGGJFSA-N	236.399	4.908	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1C[C@@H]2CC[C@H]1C2	2312940194	PFOPSNUWJJSSMK-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)c1cccc(F)c1	2316504983	XEMWYGBTDRHINL-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2317013689	RWUDMFWLXYXJIR-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H](C)[C@@H](C)C(C)C)cc1C	2317837593	XYKILPDQVGGTGK-GJZGRUSLSA-N	246.394	4.723	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@]12CCCC[C@H]1C2	2317967138	WBLOVELDMUCMED-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1[C@H](Nc2ccccc2C2(C)CC2)CC1(C)C	2318184984	UNSRPLXYESOTPI-SWLSCSKDSA-N	243.394	4.585	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(C2CC2)c(C)n1	2318208479	WLIBPXKKHQTCFE-GFCCVEGCSA-N	246.398	4.504	0	10	BJAE	
CCC[C@H](N[C@H]1CC(C)(C)[C@@H]1C)c1ccccc1	2318252401	CMGJMHBIDTYBJG-KBMXLJTQSA-N	245.410	4.552	0	10	BJAE	
C[C@@H](NCCCC1=CCCCC1)[C@@H]1CCC1(C)C	2318508518	ACEAAQHZMZTSBX-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CNCCC1=CCCC1=CCCCC1	2318549476	WTPKUEOHMBZTFZ-QGZVFWFLSA-N	247.426	4.603	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC[C@H]3C[C@@H]32)cc1C	2319248938	IQUVPWCSVSXDQM-BHYGNILZSA-N	243.394	4.548	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC[C@@H]2CC[C@H]2C2CC2)C1	2319751219	VSRJEVIWYAHAQC-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC(=C[C@@H]1CC[C@@H]1C(C)(C)C)c1ccc(N)cc1	2320310244	IEXDKTHNQCTTLM-HOCLYGCPSA-N	243.394	4.744	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)C1(C)CCC1	2320390791	NGMANXSWQRYRKH-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC[C@@H](C)C[C@@H]2C)CC1	2320422258	GMQRMKJNZWBRTR-VJUNAUMWSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(CN[C@H](C)[C@H](C)C(C)C)c1	2320606979	WYBNSBXBCYPQQC-HUUCEWRRSA-N	247.426	4.580	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(C)c(F)c1	20520097	XUTMMKXIPIGLBZ-CYBMUJFWSA-N	237.362	4.905	0	10	BJAE	
Cc1ccc(NC2[C@H](C)CCC[C@H]2C)cc1C	21813956	CJPVQQSDINOHNU-CHWSQXEVSA-N	231.383	4.540	0	10	BJAE	
CC(C)c1ccc([C@@H](Cl)c2ccncc2)cc1	40277551	SHOYHHRAHUFINH-OAHLLOKOSA-N	245.753	4.533	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1[C@@H]1CCCC(=O)C1	77397309	NOIAGTVPZGZHOI-CYBMUJFWSA-N	244.378	4.519	0	10	BJAE	
CCCN[C@H](c1ccco1)C1CCC(CC)CC1	85080632	CAKXICLMMXXLKC-XUJLQICISA-N	249.398	4.537	0	10	BJAE	
Cc1ccc(C)c(C(=O)C2CCCCCCC2)c1	86578390	KXOWRACBKVHEOJ-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CCC(CC)(CC)NCc1c(C)cc(C)cc1C	86642315	VSSBWFNVHWZBSV-UHFFFAOYSA-N	247.426	4.670	0	10	BJAE	
CCC1CCC([C@]2(CC)CCCCCN2)CC1	91874291	HTIWPVVYGDZMRF-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
CC1(CNC(C)(C)C)CCC(C(C)(C)C)CC1	104020131	ROCXRUPVQNNSGQ-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)Cc1ccccc1C	109709647	ZRWJINSWYALQGL-OAHLLOKOSA-N	246.394	4.713	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@H](C)CCC(C)C	128650612	DXQDWOBBJHRRCQ-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC(C)(C)C2)c1	129240379	AZDMVACZSFDDGY-HNNXBMFYSA-N	231.383	4.801	0	10	BJAE	
CCCCCC[C@H]1C[C@H](C(C)C)CC[C@@H]1CN	132189896	HQHYFEIHCYFGEY-OWCLPIDISA-N	239.447	4.604	0	10	BJAE	
CCCC(CCC)N[C@H](C)C1CCCCCC1	149928259	FRPDTONHGUVPRT-CQSZACIVSA-N	239.447	4.904	0	10	BJAE	
CC1(C)[C@@H](N)[C@@H]2CCCCCCCCCC[C@H]21	162370317	BHBKEEGVZJMMPA-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C(CC)CC	167828303	ANONDFHNCSPLBJ-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1ccc(C)s1	167830947	RSQKRLSCYWVHNT-GFCCVEGCSA-N	238.396	4.846	0	10	BJAE	
CCCC(CCC)[C@@H](N)C1C[C@@H](C)C[C@H](C)C1	168143594	DDHJVNUUVQIKHT-HEHGZKQESA-N	239.447	4.602	0	10	BJAE	
Brc1ccc2c(c1)C=C1CCCC[C@@H]12	196189424	HAAJNHDQGZHFIF-LBPRGKRZSA-N	249.151	4.504	0	10	BJAE	
CCCC(CCC)[C@@H](NC)c1ccc(C)c(C)c1	211860021	NFFXPNSSLFOJKV-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCCCC1(C)C	226795801	ZMVDCTCROIIYOK-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)C(CC)CC	228739344	YQYVWPACRUROIB-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](N)C1C[C@H](C)C[C@@H](C)C1	229405663	DDHJVNUUVQIKHT-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@@H](C2CCCCCC2)c2ccccc2N1	235410246	FQMFHNRNCPCRRW-CJNGLKHVSA-N	243.394	4.945	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCCC(C)(C)C)[C@@H]1C	302314912	PLUHPNITESEXJF-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C1CCCCCC1	304373363	JPKCOERYIAXGMH-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
Cc1cccc2c1ccn2C[C@H](C)CC(C)C	305905624	COVOHSQNTZBXON-CYBMUJFWSA-N	229.367	4.632	0	10	BJAE	
CCc1cccc2ccn([C@@H](C)CC(C)C)c12	306086920	HCPBJDIGVGVKDD-ZDUSSCGKSA-N	229.367	4.811	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](NC)C1=CCCCCC1	308077017	NOZAFPMLNXPQDD-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCc1cccc([C@@H](NC)[C@H](CC)CC(C)C)c1	308078954	YDBOCWGMOOHOFS-WBVHZDCISA-N	247.426	4.582	0	10	BJAE	
CC(C)C(=O)CCCC1CCC(C)(C)CC1	309447691	NKZGGHSAGMVDQI-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C/C(=C\CCNCC(C)C)C1CCCCCC1	309999012	HBJBLOYNZWOCLD-OQLLNIDSSA-N	237.431	4.539	0	10	BJAE	
CC(=O)c1ccc(SCC2(C)CCCC2)cc1	310259852	LTYKOPSLBNZZRV-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCC(C)(C)C)cc1C	310298254	MTWAINCMPCIJQM-AWEZNQCLSA-N	233.399	4.930	0	10	BJAE	
CCCN[C@@H](CC1CCC1)CC1(CC)CCC1	310504474	KDDJHBAAGCDPDQ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H](C)C1)c1ccccc1	311060116	YXCCRUZMKYSZDY-ZMSDIMECSA-N	245.410	4.554	0	10	BJAE	
C1=C(CCN[C@H]2CCCC23CCCCC3)CCC1	312997324	UEBIMQZYOQAVEN-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CC(C)(C)NC[C@@H]1C[C@]12CCCC21CCCCC1	313026172	FSYIEXAKDDAUMZ-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(CC2(C)CCCC2)CC=CCC1	318920472	NEKIWMCGPOSSQI-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C(C)(C)C1CCC1	322949031	NXGYWQYGHPBPNF-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)CC/C=C/c1ccccc1	324213464	XXIJZHFWWKMUIV-FKZVYCBESA-N	245.410	4.503	0	10	BJAE	
CCC1(C[C@H]2C[C@H](C(C)C)CCC2=O)CCC1	382424014	VCXPRXDCOVIGDD-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](N[C@@H]1CCC12CCCCC2)C1CCCC1	382814204	WFHOPHHJERMXRR-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CCC[C@H](C)C1)NC	383486718	BSATWDAOUFYHED-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)C1(N)CCC(C(C)(C)C)CC1	383762037	DXEYDUOJGZXKQW-VQCLRJIVSA-N	239.447	4.602	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2CCC[C@H](C)C2)CCCC1	383981096	ZYKJMLVEPADKDH-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC1(N)CCCCCCC1)c1ccccc1	384688166	BZRQLYASHDFLNX-HNNXBMFYSA-N	245.410	4.622	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H]1CCC[C@@H](C)C1	385266878	ZJOYUYOPSKFMDV-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CC23CCCC3)CC1	386905068	MMGKRLBKGPYQLX-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(Cl)c(OC2CCC(C)CC2)c1	390680882	XLMVNYSQPWYEIB-UHFFFAOYSA-N	238.758	4.606	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1ccccc1C(C)C	393855083	RYKDCLMTRXGZNZ-CJNGLKHVSA-N	234.383	4.526	0	10	BJAE	
CCc1cc2scc(C(F)F)c2cc1F	396203072	UOQQSSYVGJSMLM-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cc2sccc2c(C(F)(F)F)c1F	396293725	GTIMSLCKDWCCLL-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@H](Nc1cc(C)cc(C)c1)[C@@H]1CC1(C)C	397585982	INKDDKCDAYXAHV-GJZGRUSLSA-N	231.383	4.540	0	10	BJAE	
CCSc1ccccc1N[C@@H](C)[C@@H]1CC1(C)C	397848479	QXNJKXXCQHNLDC-RYUDHWBXSA-N	249.423	4.645	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C1CCC1)c1ccccc1	398767739	YEVGPBJGQQADEO-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@@H](C)C(C)(C)C	399165447	JYPWWCUAECYDGD-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
Cc1c(Cl)ccc2c3c([nH]c12)CCC[C@H]3C	527404010	APFUHDNYQSUAKW-MRVPVSSYSA-N	233.742	4.570	0	10	BJAE	
CCCC1([C@@H](O)C[C@H](C)c2ccccc2)CCC1	686920327	AWLAJXKEZGTYRB-HOCLYGCPSA-N	246.394	4.512	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@H]2CCCC[C@H]2C)c1	688897200	AJXUVKKNHFOBBG-XYPHTWIQSA-N	246.394	4.670	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](CC)[C@H]2C[C@@H]2C)c1	689507325	UHHYAQWKNPUBCR-VBNZEHGJSA-N	245.410	4.658	0	10	BJAE	
Cc1cc(N[C@H](C)CC2CCCC2)ccc1F	689805076	YBMLCGYBGZZSMR-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
Cc1cccc(Cl)c1NC1CCC2(CC1)CC2	696009703	ISGNKVYQTANNEE-UHFFFAOYSA-N	249.785	4.783	0	10	BJAE	
CCCCCC[C@@H](CCC(C)(C)CC)NC	696642773	ARLIHSJFBRIFQO-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCNC[C@@H](CCC(C)(C)CC)c1ccccc1	696686542	ITYZJUBTKBVAIC-MRXNPFEDSA-N	247.426	4.596	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(CCC(C)(C)CC)C1	696705567	XRLVRKUDQJNKDL-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@]1(CNC(C)C)C[C@H]2CC[C@H]1C2	698041261	UAVXKYCEYCDILZ-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1O[C@@H]1CCC[C@@H](CC)C1	699505850	HKLYVULBAJOERQ-GDBMZVCRSA-N	246.394	4.987	0	10	BJAE	
O=C1[C@@H]2CCCCCCCCCC[C@@H]2C12CCC2	700930422	XHHRZTGZPQQPRX-CABCVRRESA-N	248.410	4.886	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H](C)C1CCC1	703041759	YQVHCFDRCLJPOB-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC1(C[C@@]2(N)CCCCC23CCCC3)CCCC1	704489026	PFIYURNWFGCBEG-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCc1ccccc1N[C@H](C1CCC1)C1CC1	705325891	RFRNRRPGRVXXAW-QGZVFWFLSA-N	243.394	4.630	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)CCCC(C)(C)C1	709146128	QLTQFPDDWDPUDJ-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@](C)(N)CC1CCCC1	709160691	GHKZFDQEHAQJSE-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC1(C)CCCC1	709233211	DXLUNOMWQLNKHL-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(S[C@H]2CCC[C@@H](C)C2)c(C)cc1N	710684651	AFPPAYUZUOVMIK-MFKMUULPSA-N	249.423	4.556	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CC(C)(C)CC[C@H]1C	713051586	UWMLSDSFHDSUEE-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CC(C)NCC1(CC(C)(C)C)CCC=CCC1	718134600	QNCYHTDSOGHNFH-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@]1(CNCC)CCC=CCCC1	719090049	QFJBIGKEUQQZBW-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CCCC1([C@H]2[C@@H](C)CNC23CCCCC3)CCC1	721043673	DVJFZTVOCYRKJQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@@H]3CCC[C@@H]32)c1	722082811	VRFSXIMPDZQEDP-RRQGHBQHSA-N	243.394	4.801	0	10	BJAE	
CN[C@H](C[C@H]1CC1(C)C)c1ccc(C(C)C)cc1	722658181	JKNKIFAPILMKBF-JKSUJKDBSA-N	245.410	4.507	0	10	BJAE	
CCc1cccc(CSC2CCCCC2)c1	1164658802	FWYXEPRSAAVDEP-UHFFFAOYSA-N	234.408	4.815	0	10	BJAE	
c1ccc(CSCC2CCCCCC2)cc1	1307282428	FUALNLKUYVLFJC-UHFFFAOYSA-N	234.408	4.890	0	10	BJAE	
c1cc(CSCCCC2CCCCC2)ccn1	1473094656	BSWGSWGROBWNCI-UHFFFAOYSA-N	249.423	4.675	0	10	BJAE	
Cc1cc(Cl)nc2cc(Cl)c(Cl)cc12	1542989388	IREBIUIVUNZVTG-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](CC)C[C@@H](C)CC	1653035492	SRIJNLNWRBLVSH-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H](C)C2)c2ccccc2c1	1659246622	FWNXOZOIEGQYJP-IUODEOHRSA-N	239.362	4.749	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCC[C@H]1CC	1900701267	LDQUDLHUMHUSKZ-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CCC(C)=CCC[C@H](O)c1ccccc1Cl	1900849823	QSSZIRLTEKTQPC-AWEZNQCLSA-N	238.758	4.510	0	10	BJAE	
CC(=CCC(=O)C1(C)CC1)CCCC(C)C	1900876075	RQDMWZMPNUGXMT-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCc1ncsc1-c1csc2ccccc12	1901571404	SGRJEFLLHJBFCQ-UHFFFAOYSA-N	245.372	4.587	0	10	BJAE	
CC(=O)[C@H](CCCC1=CCCCC1)C(C)C	1901959931	LZRFAYWHFQMBQJ-OAHLLOKOSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)C1CCCCC1	1905388040	IZEXPRFVQDZKKA-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@H](CCC[C@@H]1C[C@@H]1C)NC	1908578804	XJAMVKPKWOGEBT-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](N)(CC)CC[C@@H]1C[C@H]1C1CC1	1909757436	FMTBROBLZOGCGN-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1C[C@H]1C(C)(C)C)NC	1910744797	WOJSNVWLRQJATN-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@](N)(CC)c1ccc(CC)cc1	1920447459	FLMJUXJPTAWGEO-KRWDZBQOSA-N	247.426	4.783	0	10	BJAE	
CCCC[C@H](CC)CC1(CN)CC(C(C)C)C1	1921204152	SPBVXTBYYPNOKH-FHERZECASA-N	239.447	4.604	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H]2C=CCCCC2)CC1	1925821563	VXUMQYQBASOLLL-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCCc1sccc1C1CC1	1931185034	SZQBXULOYAHAJU-UHFFFAOYSA-N	206.354	4.524	0	10	BJAE	
FC1(F)CCCC[C@@H]1CC[C@H]1C=CCC1	1932592015	FIRALJVMJWDWAL-NWDGAFQWSA-N	214.299	4.558	0	10	BJAE	
Cc1cc(Cl)ccc1CC[C@@H]1C=CCC1	1932592721	LMAHZOGSDWWKEF-GFCCVEGCSA-N	220.743	4.547	0	10	BJAE	
Cc1ccc(Cl)c(C[C@H]2C=CCCC2)c1	1932597518	CXQNLDCSSNYJLY-LBPRGKRZSA-N	220.743	4.547	0	10	BJAE	
CCN[C@H](CC)CCCC1(C)CCCCC1	1935625009	JGOIQLNYTYQLLU-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC(C)CCCC(=O)[C@@H]1CCC[C@H](C)CC1	1939903973	RQEHLTLNELKHMX-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](C)C(C(C)C)C(C)C	1940246151	NZIHDGMVLWOWPZ-RRFJBIMHSA-N	241.463	4.717	0	10	BJAE	
CC1(C[C@]2(N)CCC=CCCC2)CCCCC1	1940416804	TUWFOFMVIZBXHJ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NCC)C1=CCCCC1	1941269426	QONKETWUQOEHMQ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CC1CCC=CCC1	1941794396	UMRQFIDQMIYLNJ-CVEARBPZSA-N	237.431	4.523	0	10	BJAE	
NC1(CC2CCC=CCC2)CCCCCCC1	1941794641	XCTCGPAHDGOJMR-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCC1(C(=O)c2sccc2C2CC2)CCCC1	1942500354	WPPMCZIWSGVNDQ-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CCC1([C@H](NC)[C@@H](C)CCC(C)C)CCCC1	1942653254	OPZUQPJHKQYJHN-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)NCC12CCC(CC1)C2	1945633395	COBVNPGQUQPMIE-QQFBHYJXSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)NC1C[C@H]2CCCC[C@@H]2C1	1946260205	RLWBTVUKUFTZOE-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1N[C@@H](C)C1CCCCC1	1947462421	NLYVALPRSDTHPM-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CC[C@H](C)[C@@H]1C(C)C	1947466500	JLQNUGWFXHRALN-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(O)CCCCCCC2)C1	1947546908	NMGDWEVAEUAJRD-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
NC1(CCCC2CC2)CCCCCCCCC1	1947879699	RSVTUCJAZPHVJR-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@H](C)CC(C)C)c(C)c1	1948323774	RQZIJBZXQPSHFI-HIFRSBDPSA-N	233.399	4.786	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(N)[C@H](C)CC(C)C	1948324487	ADUDBAMCLLTGGP-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@@H](C)CC(C)C)c(F)c1	1948328880	WWYRUOLHMZNZSK-STQMWFEESA-N	237.362	4.617	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NC1CC2(CCCC2)C1	1948476761	XQFQBQAVYPPBPP-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CC1CC(C)(C)C1	1949732653	FHPUTHRICRJEBQ-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CC12CCCCC2	1950612228	LIMLUGTYSSKNPD-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C1=C[C@@H](N2CCCC3(CCC3)CC2)CCCCC1	1966376984	OYAORQPQQCXOSG-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CSc1ccccc1N[C@@H]1CC[C@H]1CC(C)C	1968328280	JQKYWWYQOUTROO-QWHCGFSZSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)c1ccc(C)c(C)c1	1968702343	MSEOOFHIJYSFCB-DOTOQJQBSA-N	247.426	4.923	0	10	BJAE	
CC(C)(C)C[C@@H]1CCN1[C@H]1CCC2(CCCC2)C1	1973455404	XUYPZQUKCLPKOZ-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1ccc(Cl)cc1C	1976002560	BTGLJUFMMQPSDQ-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)CC1(C)CCCC1	1980381232	XAULMOBZMNIWGT-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C)CC[C@@H](N)c1ccccc1Cl	1980684035	BDEPBZISOCEZHJ-BXUZGUMPSA-N	239.790	4.556	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC(C)(C)CCC1=O	1984590540	CXIHDFZSKRRNLD-MUBLQREKSA-N	222.372	4.518	0	10	BJAE	
C/C=C/CCC[C@H](O)[C@@H](CCC)CC(C)C	1984608422	VLYFZIUZERMUSB-CJKAQPIMSA-N	226.404	4.556	0	10	BJAE	
CCCCCC[C@H](CC[C@@H](C)C(F)F)NCC	1996088926	HJQPILWMBRIIMR-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1CCC(C)CC1	2000211777	OQSQQAPLFZAPIU-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC(F)(F)C(C)(C)CC(=O)CCCC1CC1	2000213148	DARGPFPORPCAGW-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@H]1CC=CCC1)NC	2000321946	RYPPDHVQPBBYBZ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(CNCC)CC1(C)CCCC1	2000503733	AEPAXVKDYDXCNZ-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
C=CC=CCCC(CC)(CC)CNC(C)(C)C	2000507191	DXNJINQEOWHIGY-UHFFFAOYSA-N	237.431	4.703	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@@H]1C[C@@H]1CC	2000514927	OZCCJCCHRRPLEJ-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)C[C@H]1C[C@@H]1C	2000520481	LGQUAXDYRDHRTL-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(N(C)C2CCCCCC2)CC1	2000904788	YFMDALMMKIWDLY-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(CC2(C)CCC2)CC1	2001136053	BRUNWDQWRLFHKQ-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CCCC2CCC2)C1	2002989929	DKJXRALYFGLVHS-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H]([C@H]1CC[C@H](C)CC1)[C@H](C)CCC	2003067486	UDHIQZKNTCWHAD-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H](c2nc3cccc(Cl)c3[nH]2)CC1	2003068921	PQEBTECHJLYDBF-MGCOHNPYSA-N	248.757	4.510	0	10	BJAE	
CCCCCC[C@@H]1CCCCCC[C@@H]1NCC	2003097610	HDYMPYUSLBYRIW-CVEARBPZSA-N	239.447	4.905	0	10	BJAE	
CN[C@@H](CC=C(C)C)C1(CC(C)C)CCCC1	2004232302	FNGRNNOSHLICIF-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CNc1ccc(F)c(F)c1	2004712305	RPJBJLKRXXNNDQ-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(O)CCCCC12CC2	2005540589	CKGWVHVZFWYSFC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@@H]1CCC[C@H]1C	2006755703	SBIXPWQXBIFMPW-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1Nc1ccc(CF)cc1	2007030095	ZSVVUYIAUQLVQJ-WFASDCNBSA-N	235.346	4.537	0	10	BJAE	
CC[C@@H](C[C@H](CCC1(C)CC1)NC)C(C)(C)C	2009548806	QPXPMKDHVGMTQF-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCCC[C@@H]1C(C)(C)C	2009574737	VBPTZICGGWDDGC-QNQFUXMYSA-N	237.431	4.667	0	10	BJAE	
CC=CCCCNC[C@@H]1CCC[C@H](CC)CC1	2009591625	IRGRSHHOVZRMHP-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](CC)CC1=CC[C@H](C(C)C)CC1	2010761731	GVQJVENFXFCXSN-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCC[C@H]2C[C@@H]2C)CC1	2011578080	ZUXIDXLZYJSGFB-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@H](C(C)(C)CC)CC(C)(C)C1	2012041696	NDJFDALQVZJCOF-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H]1C[C@H](NCC)CC(C)(C)C1	2012062442	POACUPZIVZVWBB-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCNC[C@](CC)(CCC(C)(C)CC)C(C)C	2012425358	IRMAQYPBXUVENU-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
Cc1ccc(N[C@H](C)C2(C)CCCC2)c(C)c1	2014338834	QRCSHQMHRXVZKN-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)[C@@H]1CCC1(C)C	2014883169	VEVRHFNGPWXNMJ-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CC(C(C)C)C(C)C)[C@@H](C)CC	2015290698	MJZXCTFHSQJCQM-HOCLYGCPSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CSc2cccc(C=O)c2)CCC1	2015596930	XJSXPLLJSXIDTP-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)CC1(CC)CCC1	2015599306	JXGDAZWZEWWMDQ-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H](C)CCC=C(C)C	2016149815	NEWSCXMIRQOWPQ-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCC[C@@H](C)[C@H]1C	2016150742	XRKGFEPFLFBZDY-QKPAOTATSA-N	237.431	4.536	0	10	BJAE	
CC1(C(=O)CC2(C(C)(C)C)CCC2)CCCC1	2017130161	YPRWKPIBUZEHRU-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)C1(C(C)(C)C)CCC1	2017133445	RRUUHPVIWMKSMZ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC1(C[C@@H](N)C2(C(C)(C)C)CCC2)CCC1	2017133522	SPBDUDDXPZLELT-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CC1(C(C)C)CCC1	2017147290	BDNXANDXMRJBHA-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CCCCN(CC(C)=C(C)C)c1ccccc1	2017460870	BJLPRYPLDBWHDB-UHFFFAOYSA-N	231.383	4.649	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H](CC)C(C)C)CC1	2017663548	VMQVVGBTRGPXQT-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC1C[C@H](C)C[C@@H](C)C1	2017699017	COWSAHFQFIMBIF-XJKCOSOUSA-N	240.431	4.636	0	10	BJAE	
CC1(C[C@@H](N)C[C@H]2CC[C@H](C)CC2)CCCC1	2017722322	PKHSXCJSNRNZMM-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C[C@@H](C)CC)CC1	2017776483	PKDNZWXMFQTMMT-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc(C3(C)CC3)cs2)CC1	2018309320	FUPLXQZTVJYQCJ-NEPJUHHUSA-N	249.423	4.878	0	10	BJAE	
CCC(C)(CC)CN(C)[C@@H]1CC[C@H](C)[C@@H](C)C1	2019121057	DOHDIRJSGGEKLG-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
CCCCN([C@H](C)CC)[C@@H]1CC[C@H](C)[C@@H](C)C1	2019123074	AXLZZEKBIZJOTC-CAOSSQGBSA-N	239.447	4.712	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@H]1C[C@H]1C(C)(C)C	2022462547	AFRNIUITMRMJIL-GBJTYRQASA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1C[C@@H]1C1CCCC1	2022560079	LQPRMUSDCLGHBT-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](N)CCCC1CC(C)(C)CC(C)(C)C1	2024091966	MQQMZIIHBBCXBN-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@H](C[C@](C)(N)C2CCCC2)C1	2024095479	RFRSFWSGXIHYCQ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CC1CC=CC1)NC	2026167931	WDANVAUXFLLLPM-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC1CC(C)(C)C1	2026170226	OEKRPRBGMYGJQV-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)C1=CCCCCC1	2027815453	NRJMKTZZPQATTE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@](C)(O)Cc1ccccc1CCC	2027903540	NDJULMOETSLRLL-KRWDZBQOSA-N	248.410	4.513	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H](CCC)C(C)C	2028257261	HYALLIVTDFXDMI-OAHLLOKOSA-N	246.394	4.894	0	10	BJAE	
Cc1ccc([C@](C)(N)CCCCCC2CC2)cc1	2028635714	BUBUDKYUZJJZQY-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@H]1C[C@@H]2CCCC[C@@H]21	2028785518	DMIAANIPUAVIIK-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CCNC1CCC2(CCCC2)CC1)C1CC1	2032222080	DDPSDUMMTTUIEN-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)Cc1cccc(C(=O)C[C@@H](C)C2CC2)c1	2032228251	GHGMOMPKDYVMPB-CYBMUJFWSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)C[C@@H]1CC=CCC1	2032342602	WGUPJTUDPNJFLW-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
CC(C)(CNC1(C2CC2)CCC1)C1CCCCC1	2034017626	LHORWHCKFRVFAK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
NC1(CCCCCC2CC2)C[C@H]2CCCC[C@@H]2C1	2034139442	FAXSOHPZBYMNSU-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCc1ccccc1[C@H](N)C1(C)CCCCCC1	2037073237	WGASTEZMFRRCLG-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1C[C@@H](C)C(C)(C)C	2037224494	HCTXGPSHQUPLGA-UMVBOHGHSA-N	245.410	4.904	0	10	BJAE	
CC(C)NC[C@@]1([C@H]2CCC(C)(C)C2)CC=CCC1	2037681656	HOMAOLGQUOUCQN-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
C[C@@](O)(CCCC1CCCCC1)c1ccccc1	2038168894	WLVCOBBZEJUYIB-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
C1=C[C@H](N[C@@H]2CCC3(CCCCC3)C2)CCCC1	2039039174	OZZMBIHJXWARHE-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)CCC2CC2)c1	2040322669	QNJPEJPZPWCKTM-ZDUSSCGKSA-N	245.410	4.802	0	10	BJAE	
CCCC(C)(C)[C@H](NC)c1ccc(C(C)C)cc1	2040723732	NPGQSYUTBALWMK-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
C[C@@]1(C(=O)[C@H]2CCC3(CCCC3)C2)CC=CCC1	2042089989	VZXCQUWOELBZPG-GOEBONIOSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H]([C@@H]1C=CCCC1)[C@H]1CCC(C)(C)C1	2043189067	YCGZFBNQPUDTOH-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)CC2=CCCCC2)C1	2043189529	BPCVULOLUYKWSE-ZMSDIMECSA-N	249.442	4.824	0	10	BJAE	
O[C@H](CC[C@H]1CCC=CCCC1)c1ccccc1	2045346567	UUUZCBJBBAPLGV-DOTOQJQBSA-N	244.378	4.637	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCCC(C)(C)C2)c(C)c1	2045461238	YTKXTVUELODDNI-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CC(C)c1ccccc1CC(=O)CCCC1CC1	2045610071	PEFGWZHJOVLXSN-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCCC1CC([C@@H](N)C[C@@H]2CC23CCCCC3)C1	2047009181	PSNLXLNAPARCSO-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@@H]1CC12CCCCC2	2047011513	XVUKRAXWIFSMLS-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@@H]1CC12CCCCC2	2047060820	AMKVZYNKWCIDMU-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@@H]2CC23CCCC3)C1	2047064044	BHQQNQINNXEVFS-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@H]1CCC12CCC2	2047934013	YESSCRFTLOAKEU-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@@H]1CC(C)=C[C@H](C)C1	2048875525	XIDAMZXQZMTULS-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1[C@@H]2CCCCCCC[C@@H]2C12CCCC2	2049673883	YTTBQDJUZMQVKL-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC2(CC2)C1)CC1CCCC1	2049852390	HGWUNDIXCOZWPX-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](N)c1ccccc1C	2050459825	AVOYMBLCMQOQPZ-RDJZCZTQSA-N	247.426	4.991	0	10	BJAE	
CCCC(CCC)CNc1ccc2c(c1)CCC2	2052178421	YEQSXNPXRPIWHV-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CNC2CC2)CCCCC12CC2	2053356969	LKJIZOLCMYOHNP-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@]1(CN)CCCC12CC2)C1CCCCC1	2053418434	NDUMZTSWYLBHCM-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC[C@H]2CCCCC23CC3)CC1	2053435004	ZHAQGPVJWPQUGS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@H](N)[C@@H](C[C@@H](C)C2CCCCC2)CC1	2055527503	QBFXSNVAOYJVKQ-XYPHTWIQSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C1(C)CCC2(CC2)CC1	2056538602	YGBOUFZTHNKMBX-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](CC)CC1)C1(C)CCC1	2061083297	BJGKCHLPBYMKFJ-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1CC(N)(C2=CC[C@@H](C(C)(C)C)CC2)C1	2061112599	HRLXKKSYSGJXPM-XOYHFGRZSA-N	249.442	4.523	0	10	BJAE	
CN[C@H](CC1CC(=C2CCC2)C1)[C@@H](C)CC(C)C	2061734608	OZCOAGFYLTWXFG-SUMWQHHRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@@H]1CCCCCC12CC2	2062017162	MVBDKQXGZZXHPQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC12CCCC1CCC2	2063906193	TUEMYAOHZUZMBW-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)CC12CCC(CC1)C2	2065276996	JPMORVRKLGXXFA-DGNOSDGRSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)CC12CCC(CC1)CC2	2065307937	KZIYVIYHJUWNBQ-GULBITTBSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NC2(C)CCCCCC2)n1	2066357262	QTVPBSYHBYZQIJ-UHFFFAOYSA-N	246.398	4.730	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@H]1CCC1(C)C	2068246494	WOKDFVPIVCUSDG-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)Cc1ccc([C@H](O)C[C@@H](C)C(C)C)cc1	2068843601	MLCJFMAXWBBEJJ-RHSMWYFYSA-N	248.410	4.601	0	10	BJAE	
CCCC1(C[C@@]2(N)C=CCC3(CCC3)C2)CCC1	2069284835	LFRFZXIAMWMDIW-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H](C)C1CC=CC1	2070809781	CVUWIXVHNQRUKW-PBHICJAKSA-N	249.442	4.680	0	10	BJAE	
CCCCC[C@](C)(O)C1CC(c2ccccc2)C1	2071395387	FMPORZANAGPJOI-JCYILVPMSA-N	246.394	4.512	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@@H]1C1CCC1	2071788837	VLPFBXCRETWIMP-NVXWUHKLSA-N	243.394	4.630	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CNC23CCCCC3)CCC1	2072189472	FNXCZGLXQIBUDQ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1c(C)coc1CC	2072419486	YIVLYIBPCQATOI-MRXNPFEDSA-N	249.398	4.547	0	10	BJAE	
C(CCC1CC1)CC[C@H]1CCN[C@H](C2CCC2)C1	2073770838	AFXSGFCEXDVNQW-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@@]23CCCC[C@H]2C3)CC1	2074030356	SQPORCTZGPEWDP-VIQHNZTISA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1NC[C@]12CCCC[C@@H]1C2	2074048368	WOPPSSCFWDVXGP-NVXWUHKLSA-N	243.394	4.631	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@H]3CCCC[C@H]3C2)CC1	2074627658	WXUZCWIBWLPUFW-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](N(C)[C@H]1C=CCCCCC1)C1(C)CCCC1	2074807947	BLMQXOCPGDCVDS-CVEARBPZSA-N	249.442	4.776	0	10	BJAE	
C[C@@H](C1CCCCC1)N(C)[C@H]1C=CCCCCC1	2074811341	UQTRVYONIURXSY-RDJZCZTQSA-N	249.442	4.776	0	10	BJAE	
CC1CCC(CN(C)CCC2=CCCCC2)CC1	2075145282	FJQNITJKUVSVTM-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1ccccc1C1CCC1	2077263991	HQOPJAYQTYZUCH-CZUORRHYSA-N	243.394	4.945	0	10	BJAE	
CCCCc1ccc(N[C@H]2CCC3(CC3)C2)cc1	2078345512	DJCXQDPGOOENMT-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CN[C@H](CC=C(C)C)CC1CC2(C1)CC(C)(C)C2	2081782813	SUWLZKMIZBYEDT-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@](C)(N)Cc1cccc(C)c1C	2082929732	IWMBFKRPQSXDFY-QGZVFWFLSA-N	247.426	4.534	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N[C@H]2CCC23CCCCC3)C1	2085242057	AKPKDCQGMZAYHC-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C1(C)CCCCCC1	2215337399	ZLPRNLMKDRKYJK-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(C)cc(OCC2(C)CC(C)(C)C2)c1	2215428036	ADHYMAYMBMQDHZ-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CCCCCC[C@@]1(N)CCC[C@@H](C(C)(C)C)C1	2216250327	APPJYZDOMZFMER-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC(C)[C@H](C)N(C)[C@H]1CCC[C@@H](C(C)(C)C)C1	2216255448	DFQJIWVWGVUKQG-ZNMIVQPWSA-N	239.447	4.568	0	10	BJAE	
CCCN(CCC)CCCCCCCC1CC1	2216861364	GEVAZEPKVRFDQP-UHFFFAOYSA-N	239.447	4.859	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CCC(C)(C)C)C(C)C	2217137269	KKACDYOMEHZVQC-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CCC(C)(C)C)CC1(C)C	2217152907	IHQKSNHUGKAOQK-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1NC[C@H]1C=CCCC1	2217281462	DRQLQVDIIBUQSF-LBPRGKRZSA-N	249.785	4.671	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218323579	XCRZNCBIAXSUPY-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218373418	JCAXDMUOWSOZPF-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C1C[C@H]2CC[C@@H]2C1	2218731443	KICRGMHAQBKWBM-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(N)CCC(C2CC2)CC1	2218897027	PQEZQBZVDDDRPQ-MHABSNSOSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H]1CC(=O)c1cccc(C(C)(C)C)c1	2220641084	ZNXLBYJHZBKGIZ-STQMWFEESA-N	244.378	4.603	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)CC(C)(C)CC2(CC2)C1	2220877153	NMTBRJHHKWJGSG-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2CCc3cc(N)ccc32)C1	2221028168	NGXMEMOZWBVCBU-ZDUSSCGKSA-N	243.394	4.515	0	10	BJAE	
CC1=CC[C@@H](CNC2CC(CC(C)(C)C)C2)CC1	2221614210	USFKRLLIRUNCFH-QQFBHYJXSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@H](CNCC2CCC(C)(C)CC2)CC1	2221668460	PCMLLRBELDMFQI-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(C)c1C(=O)C1(C)CCCCCC1	2221931945	LZRQFTYXUPKIAD-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CC1CC(C)(C)C1)N2	2224126837	BVVBRQXRWJKOSF-HNNXBMFYSA-N	243.394	4.548	0	10	BJAE	
CCC[C@H](CO)CC[C@@H](C)CCCC(C)C	2244846529	DMVCMGITNLAWLT-GJZGRUSLSA-N	228.420	4.638	0	10	BJAE	
CC(=CCl)CNCC[C@@H](C)CCCC(C)C	2244870676	ZUFSJRLBVPHLLN-ZDUSSCGKSA-N	245.838	4.571	0	10	BJAE	
CCC(C)(C)[C@H](N)CC[C@H]1CCCCC12CC2	2246631707	UWSVRMLCLCIGSK-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(OCCCC[C@@H]2C[C@H]2C)c1C	2247169070	BOVVOHQEZFPMKB-UKRRQHHQSA-N	232.367	4.509	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC[C@H]1CCCC12CC2	2247609232	LJIVPLDIUXBLKN-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1CCC(C)(N)CC1	2248869650	IYMQXGUHCUBDFX-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@H]1CCCC2(CC2)C1	2250360253	HAEASTAWGBZHDS-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@@H]1CC12CCCCC2	2250391517	XAPBOLQZEWGFDC-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCCCCN1	2250476239	NUWOIOHYWRRTCR-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCNC1(C)C	2250478240	GQBAPGIEKPPAPP-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CCCCNCC(C)C	2250479515	VUYNQBKMBVHWSO-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
Cc1sccc1C(=O)C[C@]12CCCC[C@H]1CC2	2251154259	OJSHWHYJAIMHFE-SWLSCSKDSA-N	248.391	4.600	0	10	BJAE	
CC1(CCCNCC[C@@H]2CCCCC23CC3)CC1	2253887288	UJNPZWQGVVDBGM-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCc1cc(NC2CC3(CC(C)C3)C2)ccc1C	2254148210	KAARILPQJXNSOP-UHFFFAOYSA-N	243.394	4.548	0	10	BJAE	
CC1(C)CCN(CC2=CCCCC2)CC(C)(C)C1	2255064950	SRPMBRHTCKAAPS-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@H]1C[C@@H]1CCC	2255105505	TUQZWTJFBZLDKV-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCCC12CC2)CC1CCC1	2255290484	GKSKBTZYQDMNFE-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(CCCC(=O)C(C)(C)C)cc1	2256299188	AHZIMDGUHWPQAX-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CC[C@H](Nc1cc(C)c(C)c(C)c1)C1CCCC1	2258241550	VLIHBHGQFXOLRD-KRWDZBQOSA-N	245.410	4.993	0	10	BJAE	
CCCC[C@@H](CC)Oc1ccc(C(C)=O)cc1C	2258885426	QBNVSLMMUCIQOG-OAHLLOKOSA-N	248.366	4.545	0	10	BJAE	
CC(C)CCC[C@H](C)CCNc1ccccc1N	2259649971	WXFRIIKAODHZLP-AWEZNQCLSA-N	248.414	4.533	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@]12CCC[C@H]1CC2	2260516005	KIXJQIUJXUZUBB-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@]12CCC[C@H]1CC2	2260579004	OOABXPRYUSHMQU-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C[C@H](N)C[C@]12CCCC[C@@H]1CC2)C1CC1	2260583233	NRZHQLNOHBBLEU-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@]12CCC[C@@H]1CC2	2260602944	GSPJNBOEYFZMQD-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC([C@H](N)C[C@@]23CCCC[C@H]2CC3)C1	2260604956	ODROEODWPDLKAE-FXUHHZDVSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C[C@@H](O)c1cccc(C2CCCC2)c1	2260660239	CVHYUJTVKZZASJ-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
N[C@@H](C[C@]12CCCC[C@@H]1CC2)C1CCCCCC1	2260679410	QYKGHMQGKWXEDT-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cccc(C2CCCC2)c1	2260732889	FZZZGNQFTAALMZ-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H](C)CC1CC1	2298847213	FTEJBSXGXFAGJB-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CCC(O)([C@@H](C)CC2CC2)CC1	2298860276	CGKVZRSUFQNRCP-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)[C@@H](C)C1CC1	2300676320	NHSCMKZWMHCZJX-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@H]1CCCCC12CC2	2300689056	UEXVLVWHLWAWIN-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCC(C)(C)C[C@H]1C	2300690050	FATGMVALPILFHH-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC[C@](N)(CCC(CC)CC)[C@@H]1CC1(C)C	2300701845	UIKOZQPPJUEEFA-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301065621	GSATXNXITJKVIG-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](NCCC)C1[C@H](C)C[C@H]1C	2301162152	YMIVDSHCWQMRJE-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)[C@@H](C)[C@H](C)C(C)C	2301831167	BTIBIQRENNJODJ-QKPAOTATSA-N	241.463	4.575	0	10	BJAE	
CC(C)CN(C1CCCC1)[C@@H](C)[C@H](C)C(C)C	2301966743	FBKZFTNRKGUFMC-CABCVRRESA-N	239.447	4.568	0	10	BJAE	
C[C@H]1[C@H](C(=O)CCC2=CCCCC2)CC1(C)C	2302136103	QIVLJQRMSPYVPV-GXTWGEPZSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1CCCC1=CCCCC1	2302331612	NPULCBNGIFMCSI-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@H]2CCCC[C@@H]21	2302892510	MFBCATVCYYDPOT-HZSPNIEDSA-N	249.423	4.691	0	10	BJAE	
CC[C@@H](C)[C@]1(CNC(C)C)CCC(C)=C(C)C1	2303473799	FADYWTCXHIGVSM-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](c1nc([C@H]2CC23CCC3)cs1)C(C)C	2304489467	FOOFEEUQZLTBOK-VXGBXAGGSA-N	249.423	4.950	0	10	BJAE	
Clc1c(O[C@H]2C=CCC2)ccc2ccccc12	2307647125	DCTOFZBIVVPQAI-LBPRGKRZSA-N	244.721	4.591	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCC(C)(F)F)NCC	2307898361	JPDDNFUFANBLRD-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](CC)CN(C)C1CC(C(C)(C)C)C1	2307910635	PAIUSAHMMOJGIL-NFOMZHRRSA-N	239.447	4.569	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1	2309170696	AGPINBKLDMOWET-CLWVCHIJSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)C[C@@]23CCC[C@@H]2C3)C1	2312670491	OZHSGHJNXWCQJB-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CC[C@H]1C1CC1	2315882793	IJZFPHQUNZPHPV-HOTGVXAUSA-N	243.394	4.719	0	10	BJAE	
CC(=CCN[C@@H]1C[C@@H]2CCC[C@@H]21)CCCC(C)C	2316491709	PFOOFVVLBKVTAY-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
C[C@](N)(CC1CCCCCC1)[C@H]1C[C@H]2CC[C@H]1C2	2316886242	QEGYADRVYVIFQU-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC12CC([C@@H](N)CC1CCCCCC1)C2	2316887462	YGTPJEZILPWZBO-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](c1nc2ccc(C3CC3)cc2[nH]1)C(C)(C)C	2317183439	LVEQDJHHNAOVGK-JTQLQIEISA-N	242.366	4.590	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@H]1CC[C@@H](C)C1	2317568873	XACYFMNDJPVHCK-YPMHNXCESA-N	245.341	4.525	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H](C)[C@@H](C)C(C)C	2317990158	JOMTYZSGURTGGE-ZOBUZTSGSA-N	247.426	4.656	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@]12CCCC[C@H]1C2	2318502819	LBKMEIRMVNISBZ-DOTOQJQBSA-N	246.394	4.807	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CNCCCC1=CCCCC1	2318523289	DQEVSIUTPBZEOG-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CC(C)NC[C@@H]1CC[C@@H]1CCCC1=CCCCC1	2318593228	RKLZIWHQYPNYOG-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@@H]1CC12CCCCC2	2318881936	XZDHGJHGSJYYDA-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H](CCC[C@@H](N)c2ccccc2)C1	2319123938	NUCWABVMJAPJFA-GDBMZVCRSA-N	245.410	4.683	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@@H](C)C2CCC2)c1	2327704247	SEHWOGNTQDVLBE-SUMWQHHRSA-N	246.394	4.588	0	10	BJAE	
Cc1ccc(C)c(NC2CCCCCCC2)c1	19985541	FXFRSQDNXNRNHN-UHFFFAOYSA-N	231.383	4.828	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCC1=CCCCC1	21802494	SRDXZXJTRSSALJ-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCCCc1ccc([C@@H](NCC)[C@@H](C)CC)cc1	35548108	MAFVEYCSUAPNPI-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)c1cc(C)ccc1C	35581643	URNLTZKIIJZZPI-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)c1ccc(C)cc1C	36792369	VCWLGHWVASOMOM-JKSUJKDBSA-N	247.426	4.923	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1ccc2ccccc2c1	54440908	XRRTYEVATHHZBO-SUMWQHHRSA-N	241.378	4.537	0	10	BJAE	
CCc1cccc(N[C@@H]2CCCC[C@H]2CC)c1	70977672	LUJDTJKDJHXTSX-GDBMZVCRSA-N	231.383	4.630	0	10	BJAE	
CCC1CCC(N)([C@@H]2CCC[C@@H](CC)C2)CC1	71154201	DTJQKTHJZHYNID-LVDPKSTMSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1CCCC1	82434291	ZVHJQUSVEIXDHD-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H](C)CC2CC2)CC1	86947155	RRZKMOLRQUNDGC-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1	86954257	AQYFYFJRZQHLIQ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCNCCCCc1ccc([C@H](C)CC)cc1	87730129	DUFANRKXJGUBRU-OAHLLOKOSA-N	247.426	4.522	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1CCCCCC1	87946672	HUDNQALWYICWAX-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CC/C(=C\C1CCCCCC1)CNC(C)(C)C	92726449	VCHGASDRRHVDRD-WYMLVPIESA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCCCC1(C)C	94279848	ILSQEMKGCJDHEG-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCNC[C@H](c1ccccc1C)C(CC)CC	94675316	DCCUMVVJJYTMNR-KRWDZBQOSA-N	247.426	4.514	0	10	BJAE	
CCCCCC[C@H](NC)[C@H](CC)CCCC	124785948	POCUILQTXAIWQT-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1cc2ccccc2o1	127316676	MXONMXIXBMYYQR-CQSZACIVSA-N	245.366	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](C)C(=O)c2ccccc2)C1	128270196	ZHDVWSRXYNQGIL-IIAWOOMASA-N	244.378	4.722	0	10	BJAE	
O=C(CC1CCCC1)c1cccc(C2CCC2)c1	128736831	RTZNKAXJVKXYNA-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1cccc(C2CCC2)c1	133577978	CTKFGVBLALQBJF-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CC(C)C[C@@H](N[C@@H](C)C1CCC1)c1ccccc1	137709620	LARCSLDWROKOED-WMLDXEAASA-N	245.410	4.552	0	10	BJAE	
CCCCCCC(=O)[C@@H](CC)CCCC	142377744	ITHBZZQHTXHWLC-ZDUSSCGKSA-N	212.377	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1CCC(N)CC1	145067478	WRXIVXILVADPIC-FHERZECASA-N	239.447	4.747	0	10	BJAE	
Cc1cccc([C@@H](C)NCC2CCCCCC2)c1	160155665	YMRBPPHCNKLTFQ-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@H]1CCCc2ccccc21	164357643	KUPXHVGIHCASRP-UKRRQHHQSA-N	244.378	4.502	0	10	BJAE	
CCCN[C@@H](CC)CC[C@H]1CC[C@@H](C)[C@@H](C)C1	221314898	DMAMDLOEJLRFLJ-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H]1CC[C@@H](C)C1	227503728	PQRXAXRGGRRCTM-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1ccc(C)c(Cl)c1	229272477	NDCVNMMXSXRBBQ-YGRLFVJLSA-N	240.774	4.508	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)c1cc(C)ccc1C	229331909	OHMCZAPWKCICCS-HLLBOEOZSA-N	245.410	4.520	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H](C)CC1CCC1	229698594	KSIALQMHCSUYPD-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(Cl)ccc1Cl	233288997	SZICWTYFCNOGFD-SNVBAGLBSA-N	246.181	4.984	0	10	BJAE	
CCCN[C@@H]([C@H]1CCCC[C@@H]1CC)[C@H](C)CC	250388794	HGSLHEMZFFPFDD-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(N[C@H]2/C=C/CCCCC2)cc1	302428356	MGGKNHQMOBOGJA-FSNWXROXSA-N	243.394	4.940	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)C)C(CC)CC	305921880	IAMKCBJFFBUDHI-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CCc1cc(NC[C@H]2CCC[C@@H](C)C2)ccc1C	306003922	LGLGKVQKVKMMNF-HIFRSBDPSA-N	245.410	4.796	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1Cl)c1ccco1	306065039	YIHKYWXVJNNJEQ-LLVKDONJSA-N	249.741	4.805	0	10	BJAE	
CCc1cc2c(SC)cc(Cl)cc2s1	306821140	OBBSYMNFENODBO-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CCC(C)(C)C	308036296	UMIQBKHGFCBJRB-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H](CCC)CC(C)C	308054665	OXARFBLTDRSYCX-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CCC[C@H](C)C1)C(C)C	310471882	BOGAKWPIRRSMCW-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C/C=C\CCN[C@@H]1CCCC[C@@H]1C1CCCCC1	310597488	NCBBJNYRWHELEJ-KWWITBOBSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@H]1CCCC1(C)C	310836315	LHBUIXPIBGLRSU-HZPDHXFCSA-N	245.410	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)c1ccccc1CC	310989898	VLAUAYWGWHYBLJ-RDJZCZTQSA-N	247.426	4.726	0	10	BJAE	
CCC1CCC(CNC(C)(C)C)(C(C)C)CC1	317916936	VCONQBZUTMOKJA-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@]1(CNC2CC2)CC[C@H](CC)C1	318241760	ZSQAXAOQHCCAQU-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CC1(CNCCC)CCC(C)(C)CC1	318313344	PPDTVMGBADNUTG-FNORWQNLSA-N	237.431	4.539	0	10	BJAE	
CCCC1CCC(CN)([C@@H](C)[C@H](C)CC)CC1	319477736	ALYPDCRYAHKDRW-QVOMUQBLSA-N	239.447	4.604	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1ccccc1C(C)(C)C	319533456	MPWCWAFDMLCVCB-HEHGZKQESA-N	248.410	4.700	0	10	BJAE	
CC(C)[C@H](Nc1ccc2ccccc2c1)C1CC1	324477218	BHRBXPSCGIJTGM-KRWDZBQOSA-N	239.362	4.686	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)C)c1cccc(C)c1C	380665945	XJUSNHWJJOMFDN-GUYCJALGSA-N	247.426	4.636	0	10	BJAE	
CC(C)CCCCCNc1ccc2c(c1)CCC2	383137727	DXEXXXXODVOBMO-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CCN[C@H](CC)CCCCCCCC(C)C	383183237	NINKMIBVQYLIOV-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CC(C)CCCCC/C=C/CCNC(C)C	383370941	JIMDGHULJPHORU-VQHVLOKHSA-N	225.420	4.537	0	10	BJAE	
CC/C(=C\[C@@H]1CCC[C@H](CC)C1)CNC(C)C	394514405	LOCDHWAKDOZOGT-SYKQYWRRSA-N	237.431	4.537	0	10	BJAE	
CC1(c2ccccc2C(F)(F)F)CCCC1	394762898	GPMSRMVPGYHGEA-UHFFFAOYSA-N	228.257	4.537	0	10	BJAE	
CCCNC/C(=C/C(CC)(CC)CC)CC	395118297	IKTVVXUMGRXFBP-WYMLVPIESA-N	225.420	4.539	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CCC1CCC1)CNC1CC1	398679923	XGYFLEWNSKTTPS-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)c1coc2ccccc12	404678526	HCYMYLLMKLSAIO-AWEZNQCLSA-N	245.366	4.520	0	10	BJAE	
CCCC1(CNc2cccc(C)c2C)CCC1	687524081	UCBSOIATBNOWLD-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)c1cccc(C(C)C)c1	688923691	DQHUYYPZRXHYQL-HUUCEWRRSA-N	247.426	4.692	0	10	BJAE	
Cc1c(Cl)cc(N[C@@H](C)C(C)C)cc1Cl	690296498	SZRKCIXLMQZXOB-VIFPVBQESA-N	246.181	4.758	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCCCC[C@H]1C	691076800	FTDRHARDBPWZQR-BXUZGUMPSA-N	235.346	4.515	0	10	BJAE	
CC(C)(C)c1cccc([C@H](O)C2=CCCCC2)c1	691704350	RLMOAYOBYJTYQH-MRXNPFEDSA-N	244.378	4.518	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@@H]1CC2CCC1CC2	691727565	LQGPXTLUWNLGTG-NDTCATRNSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@@H](C)C1CCC1	692811726	LYIIQBKFKXORIT-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(CN[C@H]2CCC23CCCC3)CC1	694333292	UEAYMFUMCWDQPK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCCC[C@@H]2C2CC2)c1	696108156	YMBJWIXOLAXHKE-HZPDHXFCSA-N	247.357	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)c1ccccc1C	696596076	XNMUZGAQQFMKJK-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cccc2ccccc12	697292474	MPEHZIAXKTYIPG-INIZCTEOSA-N	242.362	4.700	0	10	BJAE	
CC(C)=CCC[C@H](N)c1ccc2ccccc2c1	697771909	ZHEYFYANVLABIW-KRWDZBQOSA-N	239.362	4.586	0	10	BJAE	
CC[C@H](C)c1ccc(OCC2C[C@@H]3C[C@H]3C2)cc1	698031631	JZRRKLCDHYQMCB-APHBMKBZSA-N	244.378	4.625	0	10	BJAE	
CC(C)CCCCCC(=O)C1(C(C)C)CC1	700057782	ZENYCUBPAJKFGQ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](NC)c1c(C)cc(C)cc1C	701206553	REURZTCRNQOAGP-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](NC)C(C)(CC)CC	701231326	MFZNMLUZEOOHKC-HZPDHXFCSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@@H]1CCCC[C@H]1C	704933010	SYGXPQTVORSVKF-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCC[C@](C)(N)CC1CCCC1	707493124	MIQGSEZRPLNGON-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(C)Cc1cccc([C@@H](N)[C@H](C)CC(C)C)c1	708299707	WIZLVFQWNBXKQA-PBHICJAKSA-N	247.426	4.567	0	10	BJAE	
C[C@H](CNc1ccc(Cl)cc1)CC(C)(C)C	709078198	VEAOSCYYHAMJDZ-NSHDSACASA-N	239.790	4.824	0	10	BJAE	
CC(C)(C)CCC[C@](C)(N)[C@]12CCCC[C@@H]1C2	709260180	DWPWFLUAIVUHLQ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)[C@@H](C[C@H](C)C(C)(C)C)C(C)C	710767298	PLKVCZDKQGXALL-ZNMIVQPWSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(O)CC1CCCCC1	713033999	WPKIHXLRHWYWGF-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCc1cccc(N[C@@H]2CC(C)(C)CC[C@@H]2C)c1	713061105	PMUJLCAFGVLAJB-XJKSGUPXSA-N	245.410	4.876	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)c1sccc1Cl	713227746	CLBIHFFTXZLIHZ-JTQLQIEISA-N	246.803	4.507	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CCC[C@H](CC(C)C)C1	713246880	YECMXVGSLDVHBN-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cscc1C(F)F	717197581	IGTMPENDIGWHKI-QMMMGPOBSA-N	246.322	4.695	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C[C@@H](C)C(C)(C)C	718603756	SIQKSHUVIQGUNT-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
COc1cc(Cl)cc(CCC(C)=C(C)C)c1	718696292	DUBLKSUCVHQJSG-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
CCO[C@H]1C[C@H](CCC(C)=C(C)C)C1(C)C	718789455	WAPPYGPQULLWSN-KBPBESRZSA-N	224.388	4.574	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCCCCC1(C)C	719259361	JOTGIFATFWIVDA-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C[C@H]1CC12CC2	723180684	BBMGGUYTJQXGBA-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@H](C)Sc1cccc(F)c1	1165768435	HFXPDMDUASIUIJ-LBPRGKRZSA-N	246.350	4.987	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](CCC)C1CCCC1	1207358560	WNVGYXXBHFXGNK-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC1=CC[C@H](N[C@H]2CCC[C@@H](C(C)C)CC2)CC1	1560774786	SBXGGPNNJWWLAR-IKGGRYGDSA-N	249.442	4.680	0	10	BJAE	
CCC1(NC[C@H]2C(C)=CCC[C@H]2C)CCCCC1	1560843433	ZICSDDBIFUTWFX-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@H]1CCC[C@@H]1NCCC(C)(C)C	1654178737	IFLKPECWCVZEMU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCCN(C[C@@H](C)c1ccccc1)C(C)C	1658259103	OCJVALXRKFLDDS-MRXNPFEDSA-N	247.426	4.691	0	10	BJAE	
CC(C)(NCC12CCC(CC1)C2)C1CCCCC1	1658437376	FVQSLUGWANWUDP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](O)(CC)CC[C@H]1CCC(C)(C)C1	1903384559	ATEUNGVPSVSDRA-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)CCC=C(C)C	1905435135	PAXSAMVLDPJWDV-LSDHHAIUSA-N	225.420	4.667	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)C[C@H](C)CC	1908576027	AVFDCTWRLJFQED-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@@H](C)CC(C)(C)C	1911875413	RUCCNTVTUJFLOM-LSDHHAIUSA-N	237.431	4.559	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1CC2(CCCC2)C1	1912604018	IOWBNZKFSQHFLA-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CCCCCC[C@](C)(N)CCC(C)(C)CC	1920197637	OPKFOWKEQOHJTC-HNNXBMFYSA-N	227.436	4.891	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@H](C)C1CCCC1	1924079976	ZUXQXRZWVPXQSM-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](c1ccoc1)[C@H](C)C1CCCCC1	1924148036	INZVKNZCNQSIHB-CZUORRHYSA-N	249.398	4.537	0	10	BJAE	
Fc1cccc(CC[C@H]2C=CCCCC2)c1	1925813943	FZTXFJXLAYIOQU-ZDUSSCGKSA-N	218.315	4.505	0	10	BJAE	
N[C@@H](C[C@@H]1C=CCCCC1)C1CCCCCCC1	1925944956	HWQATOFYMLAACP-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCc1ccc(C(=O)CC(CC)CC)cc1CC	1926204444	BCFKMPWKBVSKCC-UHFFFAOYSA-N	246.394	4.820	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)c1cc(C)cs1	1939447348	TYAUVYOILQIXSF-JSGCOSHPSA-N	239.428	4.533	0	10	BJAE	
CCN[C@@H](C)[C@H](CC1(C)CCCCC1)C(C)C	1940416210	QAISKVVDDTZPQK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CCC[C@@H]2CC2(C)C)CC1	1940871979	IRCSQOIFYWBTKE-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CCC[C@H]2CC2(C)C)C1	1940873446	QTNXZCRVBCMJHI-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C1CCCCCC1	1940877154	PPZGMTUUEJGCMZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](O)(CCCC1(C)CC1)[C@@H]1CC1(C)C	1940881129	LDCLMBNNPPECKT-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(=O)[C@@H](C(C)C)C1CCC(C(C)(C)C)CC1	1941160325	ZQRSPPFQKWGHRG-YMAMQOFZSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)CNc1nccc2ccsc12	1941357826	SNWWTSHXORLAEJ-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCCN[C@H](C(C)(CC)CC)C1(C)CC(C)C1	1941981378	DRTFXFYYWXWMII-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](C)(O)C(C(C)C)C(C)C	1942659670	OGXNQJZYGIEZAN-ZBFHGGJFSA-N	242.447	4.738	0	10	BJAE	
CNC[C@@]1(CCCC(C)(C)C)CCCC1(C)C	1944480689	MQNWEGXZQPEQLU-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)[C@H](C)CCC	1944844833	CKIDPAIDANNHTE-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC1(NCCC[C@@H]2CC2(C)C)CCCCCC1	1945611122	VVFHEWAYARAGQA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCC2(CCCCC2)C1	1949086271	OTFXMLDXDVAZIO-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H]1CCC2(CC2)C1	1950244920	GHCAYSVVVKKZMW-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(OCC)c(OC)c1	1951308705	LXRLNYSZIAXFNJ-CYBMUJFWSA-N	248.366	4.554	0	10	BJAE	
C[C@H]1CC(N[C@@H]2CCCCC23CCC3)C[C@H](C)C1	1967790579	CRWSQTOWPVSYFZ-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCCCCN1CC1CCC2(CC1)CC2	1970731017	YWQALAGEVKRNHX-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H](CN[C@H](C)c1cc(C)cc(C)c1)C(C)C	1973383147	CIWNIYWLBDCXTB-CVEARBPZSA-N	247.426	4.636	0	10	BJAE	
CCCC(CCC)CCCCNCC(C)C	1981297444	ACXWVLPGMSUZTG-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
C/C=C/CCCc1ccc(C2CCC2)cc1	1984605745	IVYZPGOAYSLFTI-NSCUHMNNSA-N	214.352	4.853	0	10	BJAE	
CC=CCCCc1cc2cc(Cl)ccc2o1	1984609432	AXNJLTLKRQXFJW-UHFFFAOYSA-N	234.726	4.985	0	10	BJAE	
CCC1(C[C@](N)(CC)CCC(C)C)CCC1	1986958757	CTPZOCHVWZXAEZ-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1cc(C)c(C)s1	1989977483	VGVNDBHXHXNLKF-CYBMUJFWSA-N	239.428	4.581	0	10	BJAE	
CCCCC[C@](O)(CC)CC1(CCC)CC1	1990611371	WBZHLHPKYCDNFL-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CC[C@@H](C)[C@@H](C)n1ccnc1C1CCCCC1	1995885635	OMDAHLILPHFHDQ-CHWSQXEVSA-N	234.387	4.538	0	10	BJAE	
C[C@H](CN[C@@H](C)C1(C)CCCCC1)C(C)(C)C	1995990019	DFVPLMBUCURUNB-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(N[C@]2(C)CCCC2(C)C)CC1	1997340422	GSSSXGFWFOPYKQ-ZBCRRDGASA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CCNC1CC(C)(C)C(C)(C)C1	1997776328	MYPQVFQGQKDTIY-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC(=O)CC1CC(C(C)(C)C)C1	1998238498	DXKAGDATWWTVPJ-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)[C@@H]1CCCC(C)(C)C1	2000028908	UXSRZCWMNGNGDF-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H]1CCCC(C)(C)C1	2000159891	ZAICIXYHHZAFEM-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCNC[C@@](C)(CC)[C@H]1CCCC(C)(C)C1	2000160502	FPRWIRJRZRJNCE-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@@H]1CC1(C)C	2000511340	CLMRNUKCKRVCIV-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)[C@H]1CCC[C@@H](C)C1	2003009294	YILSECKOGYYOIX-KBMXLJTQSA-N	238.415	4.700	0	10	BJAE	
Cc1ccc(C)n1[C@@H](C)[C@H]1CCCC(C)(C)C1	2003025858	AFZMHRJXOFQVGK-GJZGRUSLSA-N	233.399	4.882	0	10	BJAE	
CCCN[C@@H](CCC)C[C@@H]1CCCC2(CC2)C1	2003213047	BLHPJVJFVVIFDX-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CC[C@](C)(O)C1CCC(C(C)C)CC1	2004226940	KFBCLLOOHIUCLV-GPANFISMSA-N	238.415	4.556	0	10	BJAE	
CC(F)(F)CC[C@@H](O)C1(C)CCCCCCC1	2004921360	VBWOEJSKCNODGI-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CC=C(C)[C@H](C[C@H](C)CC(C)(C)C)NCCC	2007862849	QPLNGDZWWBDPEB-ZFWWWQNUSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)CCC(C)C	2007935291	RZFRVUZZGQKABE-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CN[C@H](C=C1CCCC1)C[C@@H](C)CC(C)(C)C	2007939043	DDIOBBRGYMGGCW-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CCC1(C)CC1)NCC	2009553296	YSDVMVWJMLXSHR-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CCCC[C@@H]1C	2009616939	NMFQLZGLELDQLA-QPSJONLNSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)C(CC)CC	2010620195	BTZZOCUJLJXYKR-BBRMVZONSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C1=CC[C@@H](C)CC1	2010620256	BYNKLAJMIZHCQY-BMFZPTHFSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CC1=CC[C@@H](C)CC1)NCCC	2010627362	UYLQPMLCJNSLGW-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(F)cc1CCC1CC(=C2CC2)C1	2011088917	IXOMNIVPWQKEJG-UHFFFAOYSA-N	230.326	4.567	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@H]1CCC(C)(C)C1	2011181707	QXSMDPFUVOMRCM-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC(O)(C1CCCC1)C1CCCC1	2013228791	MGFNGANLEHEKAK-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC(C)(C)C[C@H]1C	2013323189	UQCZIMJKQMIBRQ-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H](C)C1(C)CCCC1	2014370097	OXULDPXLGKNITR-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC1CC(CC(C)(C)C)C1	2014657682	NJAAIVJVCOHTDM-ZUJMUWTESA-N	239.447	4.616	0	10	BJAE	
CCC(CC)[C@@H](C)NCCC(C(C)C)C(C)C	2015361382	TXIFNZPPYMPRHF-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CCCNCCC(C)(C)CC(C(C)C)C(C)C	2015411220	ZDSHVCLKUGZYBU-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CCCC1(C[C@@](N)(CCC)C(C)(C)C)CCC1	2015643804	GQTJANZYJZOIGK-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)CC1(C(C)(C)C)CCC1	2017125544	OOTRFTWRPPMXQY-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCC[C@H](CNCC(C)=C(C)C)CC1	2017469653	UGOXHTLQUIWXKQ-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCC1CCC(C[C@](C)(O)CC2CC2)CC1	2017647302	DQONUYURYVVXIM-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)C(CC)CC)CC1	2017650213	DSBGDNZIRUSVNP-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)C(C)(CC)CC)CC1	2017661355	BOYPCDAHCUGFIE-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2CC[C@H](C)C2)CC1	2017765097	HJCXHDWKJMUNCN-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)NCC(C(C)C)C(C)C	2018128091	UXECBPLPHZUHPR-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCCCN(C1CCCC1)[C@H](C)CCC(C)C	2020539575	QHLHWQBEERHGIG-OAHLLOKOSA-N	239.447	4.856	0	10	BJAE	
CC(F)(F)CCCC[C@H](O)C1(C)CCCCC1	2023303175	AHFBUYLRESDUFX-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CCC1([C@@H](O)CCCCC(C)(F)F)CCCC1	2023306334	HWZJLVZNJIYPRS-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CCCCC[C@](N)(CC)CCCCC(C)(F)F	2023345139	BPWIRSHVHXGBOP-CQSZACIVSA-N	249.389	4.890	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@H]1C[C@H](C)CCC	2024511761	XXMXUPOSSPSIAT-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H]1CC[C@H](C(C)C)C1	2025613335	JGJQEONUHSEDRJ-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
c1sc(CC2CCC2)nc1C1CCCCCC1	2026602944	KJTHXIBJRBNNBB-UHFFFAOYSA-N	249.423	4.924	0	10	BJAE	
CC(C)c1ccccc1C[C@H](O)CCC(C)(C)C	2027464650	CHOWQRPZVKKVMQ-OAHLLOKOSA-N	248.410	4.540	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(F)c1cccc(N)c1	2027938796	FYDSTQLNFDNZQJ-WQVCFCJDSA-N	249.373	4.670	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)c1ccc(CC)cc1	2028265062	QTAMQRBOQCXQOB-IAGOWNOFSA-N	247.426	4.582	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1ccc(C2CC2)cc1	2028593317	LSXSIXMNNZGFHA-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccc(C2(C)CC2)cc1	2028611805	YUDBMPQALONWSQ-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
O=C(CCCCCC1CC1)C[C@@H]1C[C@H]2CC[C@H]1C2	2028632254	XTZDDWJESFGMSA-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
CCNCC1(C[C@H]2CCC[C@H]2C)CCC=CCC1	2032504334	AJRCSYCXPFZAFK-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@@H]1CCC(C)(C)C1	2033398670	AOFUGWZVDTWNKF-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
O=C1[C@H]2CCCC[C@H]2C[C@H]1CCCCCC1CC1	2034256722	JKZMWUITHDNNOU-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
CC=C[C@@H](C)N[C@H](C)c1ccc(CC(C)C)cc1	2034980252	VECCXDLDBKYTHY-HUUCEWRRSA-N	245.410	4.500	0	10	BJAE	
CC1(CCN[C@@H]2CC[C@H]3CC[C@H]2C3)CCCCC1	2035040180	HYMABANXYPIRFP-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CCC(CN)(C[C@H]2C=CCCC2)CC1	2035600972	NPLZHCDXIYJPOR-GTPINHCMSA-N	249.442	4.524	0	10	BJAE	
CCN[C@@H](CC[C@H](C)c1ccccc1)CC(C)C	2036948631	CPUCVCXHGRZUHF-RDJZCZTQSA-N	247.426	4.595	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1ccc([C@H]2C[C@H]2C)o1	2037137310	PMWYZHSZWWURON-FRRDWIJNSA-N	249.398	4.619	0	10	BJAE	
N[C@@]1(C[C@H]2CC=CCC2)CCCCC12CCCC2	2037166201	KUOAXKYGLWPAEN-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC1(CCC[C@](C)(N)[C@@H]2CC3CCC2CC3)CC1	2037175862	LOKIYGSGXKTEOR-BOXZVXIZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)[C@@H]1CCC2(CCCC2)C1	2037689531	GKFAPYHVYCBEEP-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)CC1CC(C)(C)C1	2037970401	QVKMDJPUPUFANG-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)ccc1NC[C@H]1CC12CCCCC2	2039050383	HSDDHPVOZBHDPB-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CC1CCC([C@@H](C)N[C@H]2C=CCCCCC2)CC1	2040648863	XILQVCJPFYKORG-MYBQVCMBSA-N	249.442	4.680	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(CC2CC2)cc1	2040734873	GYYDKICFICYBJI-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2C=CCCCCC2)CC1	2041500732	WGMHCZVFRIVRFO-BRWVUGGUSA-N	249.442	4.824	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@@H](C)C1)[C@@]1(C)CC=CCC1	2042017756	YHAPRRYZSXEOHW-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC=CCCC1)C1CCCC1	2045304844	JNJVSPWQTOSAAD-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC(C)([C@H](N)C[C@@H]2CCC=CCCC2)C1	2045319408	DDDXQYMLERBIOG-HUUCEWRRSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H]2CCc3ccccc3N2)C1	2045553548	JXWUEMQZNFNTSO-ZBFHGGJFSA-N	243.394	4.630	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc([C@H]3CC[C@H](C)CC3)[nH]c21	2049638305	MRPJLQFJTCZKIQ-CZWJUEIWSA-N	246.398	4.704	0	10	BJAE	
c1ccc2c(c1)ccn2C[C@H]1CCCC2(CC2)C1	2049966374	YIRBDGFBBOYNIL-AWEZNQCLSA-N	239.362	4.612	0	10	BJAE	
CC(C)=CC[C@@]1(CNC2CC2)CCCCC1(C)C	2053380248	BXQQJHXPRUMUFI-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H]2CCCC23CCCC3)CCC1	2055539276	HZJOBLJLDIADGT-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)C2CCC(C)CC2)CCC1	2055546408	OPBXAEZIFLUJKL-SHXOLCEUSA-N	249.442	4.680	0	10	BJAE	
CCC[C@H](N[C@@H]1C=C(C)CCC1)c1ccccc1	2055552455	PGQMUTVLQKFPKJ-IRXDYDNUSA-N	243.394	4.616	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2056783424	VPSWMQNUJVJOMD-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCCC[C@H](NCC)c1cccc(F)c1	2059248159	ZGDNUSGWFYAQON-WMHVBEDNSA-N	249.373	4.613	0	10	BJAE	
CCCC1CC(N(C)C[C@H]2CCC=CCCC2)C1	2059481556	OUPCJEJJCIVGTJ-GTPINHCMSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)[C@@H]1CCC(C)(C)C1	2061095116	KYUQREOYAKSNEG-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@](N)(C1=CCC(C)(C)CC1)C1CC1	2061112113	CGZHWTZURFKVHC-KRWDZBQOSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C(C[C@@H](CC2CCCC2)NC)CC1	2061142317	BTOVJOZTGRWCOO-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC1CC(=C2CC2)C1	2061666126	WYDNZUCTNUSSAG-DLBZAZTESA-N	247.426	4.565	0	10	BJAE	
O=C1C[C@@H](CC2CCC=CCC2)CC2(CCC2)C1	2063721639	SLEXRUJVXWLTKF-OAHLLOKOSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc(C(=O)CC23CCC(CC2)CC3)cc1	2065277465	OFPDEKBUOHLUSV-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CCCc1ccc([C@@](C)(O)C[C@H](C)C(C)C)cc1	2068816465	BDWSSYYTOXVEES-YOEHRIQHSA-N	248.410	4.529	0	10	BJAE	
CC[C@@](O)(CC(C(C)C)C(C)C)c1ccccc1	2068843063	KYKGCHPXAKHBDO-QGZVFWFLSA-N	248.410	4.603	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@@H]3CCCC[C@H]32)CCC1	2069278702	MNQCJLMZGADBKW-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@H]2CCCC[C@]23CCNC3)CCC1	2069342004	KTHGZXBHVBWNJM-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)c1ccc(C)cc1	2070400627	WVEYDBJMUJKTPS-HZPDHXFCSA-N	245.410	4.781	0	10	BJAE	
CCCC1CCC(N[C@H]2CC[C@@H]2C2CCC2)CC1	2071788560	HNZIBKBCEKMNNS-BNICSPFPSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CCCN1C[C@H]1CCC=CCCC1	2071962893	PIGOALBQPJEOOQ-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1C(C)=CCC[C@H]1C	2072424262	JLSIXHGBERRONP-HYVNUMGLSA-N	249.442	4.703	0	10	BJAE	
CC1(CCNC[C@@]23CCCC[C@H]2C3)CCCCC1	2074046090	IQVOUKHWSXBSDG-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)Cc1cccc(C)c1	2074784245	GKPZZLOBGMNSJY-QGZVFWFLSA-N	247.426	4.642	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@@H]1CCC12CCCC2	2074901963	ZQKSWKDNPHOVHA-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
N[C@H](CC[C@H]1C[C@@H]1C1CCC1)CC1CCCCC1	2079313843	YWACDDSOYXPHFT-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2079481025	AWXTTWJDOWNZCH-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CCCNCC(C)=C[C@@H]1C[C@H]1C1CCCCCC1	2079664257	DQWWBQRLCOZKKI-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@H]1C1CCCC1)C1CCC1	2079865630	PERUZCSAIKZPIS-HIFRSBDPSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC(C)(C)C)([C@@H]2C=CCC2)C1	2081681821	HGVGXFYPSRXVOI-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)C[C@]23CCC[C@H]2C3)C1	2082976126	OLUDVUHSUTYEMU-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C=C1CCCNC12CCCC2)C(C)C	2083815230	CHNKGOFDXATQEC-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)CNc1cc(C)c(Cl)cc1F	2210736170	AQSVYWSOJYWGKS-VIFPVBQESA-N	243.753	4.636	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](O)C2(C)CCCCC2)C1	2215376339	AMOCDHHIOIWILG-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC2(C)CC(C)(C)C2)C1	2215440213	PNEQCEPXKCZZGV-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@]1(CN[C@H](C)CC)CCC[C@H]1C	2217153238	KOQHPSDFIMPTAI-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CCC(C)(C)C)CNC1CCC1	2217156918	OUOUZTMFZXQSNV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](NCCC2=CCCCC2)C1	2218051591	ZPUYYZZZCYETJO-WKILWMFISA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=Cc1ccccc1)C[C@@H](C)CC	2219089243	ZFIKLCBENJHSAS-DOTOQJQBSA-N	245.410	4.504	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@H]1CCCC12CC2	2220045379	JRTBPIIONOHNDK-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCc2cc(CCCCC3CC3)ccc2N1	2220047442	WTURFUXQFNMPBC-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)C2=CCC(C)(C)CC2)CC1	2221621812	GALRHYAHRFIAJT-NVXWUHKLSA-N	247.426	4.587	0	10	BJAE	
CCC[C@@](O)(c1c(C)cc(C)cc1C)C(C)(C)C	2222008098	BFXSEYPYXQLLAV-QGZVFWFLSA-N	248.410	4.646	0	10	BJAE	
CCCN(Cc1ccc(C2CC2)cc1)C(C)(C)C	2223696554	MPDBQSMTOKHUIJ-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CC1(C[C@H](N)c2ccc(C3CCC3)cc2)CCC1	2223702272	JYELFKYHCSMENK-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1cccc2ccoc12	2224157059	MFHGTEHURPNZPN-AWEZNQCLSA-N	245.366	4.649	0	10	BJAE	
Cc1ccc(NC2CC3(CC(C)C3)C2)cc1Cl	2246850754	RVALJYQKOGPRNB-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
CC(C)CN(CCCCC[C@@H]1C[C@@H]1C)C(C)C	2248837342	FBYDSSQQADIYGM-JKSUJKDBSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)CCCC(F)F	2248843281	UCDORCXIXFKKJA-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@H]1NCC[C@H]1C	2250530574	USNDUGPYHBRGKJ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
Cc1csc(C(=O)C[C@]23CCCC[C@@H]2CC3)c1	2251154010	MZXPZVJZKRHVJQ-IUODEOHRSA-N	248.391	4.600	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CCCCC23CC3)c1	2253785749	XKNACDKVRYJMGY-OAHLLOKOSA-N	242.362	4.538	0	10	BJAE	
CCN[C@H](C[C@H]1CCCCC12CC2)C(C)=C(C)C	2253815362	IRZIVRPTPJLRRF-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@H]1CCCCC12CC2	2253830808	GGKPCAFLHRZLET-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C1CCCC(NCC[C@@H]2CCCCC23CC3)CC1	2253858150	TWWCDQHPWALFFH-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC1(CCCNCC[C@H]2CCCCC23CC3)CC1	2253887289	UJNPZWQGVVDBGM-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
Cc1coc(C)c1C(=O)CC[C@@H]1CCC[C@@H](C)C1	2253936197	RAXFXAVEVVRDEH-RISCZKNCSA-N	248.366	4.686	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1CC2(CCC(N)CC2)C1	2254521441	LDPDQWBCZCQHOK-QWFZCGKBSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCC[C@H]1C[C@@H]1C)c1ccccc1	2254591635	FSJAWFMDNZRDHT-BHYGNILZSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CC[C@H]1CNc1ccccc1C1CCC1	2254980760	UREMVBDZMZAIIX-AWEZNQCLSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H]1CCCC12CC2	2255241770	APMSPHDZDSKSJK-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC[C@H]1CCCC12CC2	2255279084	UUIMRYXGJDUVJF-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC1CC1)CC[C@H]1CCCC12CC2	2255291101	MGMQYDSLNUXPDK-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@H]1CCC2(CCC2)C1	2257316527	RPCLGBOXKLVTTP-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)c1ccccn1	2259599147	DUZXUAYQHXLKTI-CQSZACIVSA-N	247.382	4.507	0	10	BJAE	
CC(C)c1ccccc1OC[C@@]12CCC[C@@H]1CC2	2260587415	MSQMMLAHACRIFJ-PBHICJAKSA-N	244.378	4.769	0	10	BJAE	
O[C@H](CC1=CCCCC1)C[C@@]12CCCC[C@H]1CC2	2260605902	DMQUXHGFRPFQMR-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(NC[C@@]23CCCC[C@H]2CC3)cc1	2260629165	UNVOHFSOGLZFED-RDJZCZTQSA-N	243.394	4.631	0	10	BJAE	
c1cc(N[C@H]2C[C@@H]3C[C@@H]3C2)cc(C2CCCC2)c1	2260716252	MRTDGRZDJFPPCO-SCAQPMJSSA-N	241.378	4.555	0	10	BJAE	
CC(C)(C)CC1CC(C[C@]2(N)CCC23CCC3)C1	2261136241	XJYHQKZTCPHQPT-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)Cc2ccc(C[C@@H]3C=CCCC3)cc2C1	2261332781	SHGJRCVNCAINPS-CQSZACIVSA-N	240.390	4.710	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)C[C@@H]1C[C@H]1C	2298648405	IFSRYULAWHCFNI-XUWVNRHRSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@H]1Nc1cc(C2CC2)ccc1Cl	2300673876	NQKVSAQOKGYYDD-CQSZACIVSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CC[C@@H](NC)C1(C(C)C)CCC1	2300691032	OYNGMPHKAFIZFK-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@H]1[C@@H](N)CC=C(C)CCCC(C)C	2300876668	IVTHPRLHULXUBS-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CCC(C)=CC[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2300877714	UGCGTERVDBBECR-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC(=CC=C1CCCC[C@H]1N)CCCC(C)C	2300901504	JWDGUOKBIZCGDQ-MRXNPFEDSA-N	235.415	4.587	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@@H]1CC=C(C)CC	2300926385	LJLVTNQRYLZHCP-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@H](O)[C@H](C)C1CC1)CCCC(C)C	2300928162	CCWFQEZNEUJJAV-ZBFHGGJFSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)[C@@H](O)CCCCCC1=CCCCC1	2302342391	HWMAAKWUOUCNHT-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
C/C=C/CCCN(C)CCCC1=CCCCC1	2302345245	PSOABECPICWXKL-ONEGZZNKSA-N	235.415	4.555	0	10	BJAE	
Cc1ccc(CCCC2=CCCCC2)c(C)n1	2302348534	DKBDAIWIFBUXAK-UHFFFAOYSA-N	229.367	4.522	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303513562	QLTDARPZMFFTJI-BARDWOONSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)C[C@H]1CCC(C)=C(C)C1	2303520386	DEGFPCISYJBLKP-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@H](CC)NC[C@H]1CCC(C)=C(C)C1	2303593099	SIWDFLVSKIJNCZ-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@](O)(CC)c1cc(C)ccc1C(C)C	2307518539	JQFKAVZYJGUQRU-INIZCTEOSA-N	234.383	4.516	0	10	BJAE	
CCC[C@@H](CC)CN(C)CC1CCC(C)CC1	2307750734	YBFHLAKSBBTFDN-HWOWSKLDSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)[C@H]1CC[C@H](C)CC1	2307907598	MHSGANLLQWPDHS-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)[C@]23CCC[C@H]2C3)CC1	2311022713	PNTMAHJZZVBKDA-VIQHNZTISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C)C=C[C@@H]1C[C@H]1C1CCCCCC1	2311578772	XFPJRTNLQNHANV-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312956152	RYLVUFWWOUXZFY-NPJQDHAYSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)n1ccnc1C1CCCCC1	2313613269	UFLBNANBVGXHHB-CYBMUJFWSA-N	246.398	4.682	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C(CC1CC1)CC1CC1	2313692881	RWBMJWMYPCBXES-MLGOLLRUSA-N	248.410	4.598	0	10	BJAE	
CCc1cc([C@@](N)(CC)C[C@H](C)CC)ccc1C	2314712621	QJGHQRSNLUREGA-CXAGYDPISA-N	247.426	4.558	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@H]1CC12CCC2	2317919926	JTIVFRANVWNFAL-LBPRGKRZSA-N	247.357	4.551	0	10	BJAE	
CC[C@H](Nc1cc(F)ccc1C(C)C)[C@@H]1C[C@@H]1C	2317934845	WIJVHTDTWMPAOH-GLQYFDAESA-N	249.373	4.796	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N1CC[C@@H](C)c2ccccc21	2318002467	XPRATYSEUYDMKT-ILXRZTDVSA-N	245.410	4.681	0	10	BJAE	
O=C(CCCC1=CCCCC1)C1[C@@H]2CCCC[C@@H]12	2318573445	RPFNLOIEKGBRGQ-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@H]1CC=CCC1	2318579629	IHAOIKSGJSNODP-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCCC(=O)C[C@H](c1ccccc1)C1CCCC1	2319677866	SEHBEXPYEQWQDQ-QGZVFWFLSA-N	244.378	4.720	0	10	BJAE	
CC1(C)CCC[C@](N)(CC[C@@H]2CC[C@@H]2C2CC2)C1	2319742207	VBGXYMRAGVJIKJ-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(OC[C@H]2CC[C@@H]2C(C)(C)C)cc1	2320255693	XFAWFVCRYOFQFV-ZBFHGGJFSA-N	246.394	4.700	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CCCCC23CCC3)CC1	2320325972	AYGUVIMHGBVMCZ-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CCN[C@H](CC)CCCc1cccc(C(C)C)c1	2320622956	KHTIRTAKDGSBAO-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CC1(C)CC[C@@H](CCN2CCCC23CCCC3)C1	2321587917	QEVKTVRNSVZCQD-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1=C(C)[C@@H](NCC[C@H]2CCC(C)(C)C2)CCC1	2321607323	DRGVZFSNKKJPIH-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
O=Nc1ccc(Oc2ccc(Cl)cc2)cc1	6093036	MPUBELFDJUTMHR-UHFFFAOYSA-N	233.654	4.530	0	10	BJAE	
CSc1cccc(N[C@@H](C)C2CCCCC2)c1	37188321	CKXSGSUIFICOCZ-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1cc(C)cc(C)c1	70977629	XOERPJACEIPENX-ZBFHGGJFSA-N	231.383	4.684	0	10	BJAE	
C/C(=C\c1ccccc1)CCCNCCC(C)C	76288007	RVKSBMKJRKQOLS-JQIJEIRASA-N	245.410	4.506	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@H](CC)C1	80457205	BJGGHXMOQWYBSD-DZGCQCFKSA-N	231.383	4.548	0	10	BJAE	
CCCCC[C@H](CC)NCc1ccc(C)s1	83367477	JDWSAHVHDPVUHH-ZDUSSCGKSA-N	239.428	4.505	0	10	BJAE	
CCCC[C@@]1(N)CCC[C@H](C(C)(C)C)CC1	83438577	WSWQOFFHXOUSAE-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@@]1(C(C)C)CCCCCN1	85876391	FPWVKIHBGZRZOR-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC(C)NC[C@@H](c1ccc(C(C)C)cc1)C(C)C	90339422	KASGHICEEGKNKA-QGZVFWFLSA-N	247.426	4.548	0	10	BJAE	
CC[C@@H](C)C(=O)C1(c2ccccc2)CCCCC1	93187734	UPRZRNROEGEGFV-CQSZACIVSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@]1(N)CCCCC1(C)C	94279742	MOUUQNOERWYLAX-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCC2(C)C)c1	94303566	ZGKALMUDGANWGL-HNNXBMFYSA-N	231.383	4.801	0	10	BJAE	
CC[C@H](N[C@H](C)CCC(C)C)C1CCCCC1	103985604	HFWAVTOWIGSGFK-ZBFHGGJFSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](C[C@@H]1O[C@H]1C)c1ccc(C(C)(C)C)cc1	107538053	ZVCKPFMAQGWCGJ-ZENOOKHLSA-N	246.394	4.655	0	10	BJAE	
CCCN[C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CCC	109666754	SDXBKZUVEFLNCS-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)C)c1cccc(CC)c1	122676118	OYKQMYINXMSYHC-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](NCCC)c1sccc1CC	124692137	WBSLPKTYDLEESJ-CYBMUJFWSA-N	239.428	4.541	0	10	BJAE	
CCc1cccc([C@@H](O)CCC2CCCCC2)c1	132878967	WZMOJVARHIVNLI-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
Cc1ccc2nc(C3CCCC3)cc(Cl)c2c1	133585981	VNQQETSUTLNNSG-UHFFFAOYSA-N	245.753	4.854	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1CCC(N)CC1	145067264	WRXIVXILVADPIC-QQFBHYJXSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc(C(C)(C)C)s1	164270943	QWZSXAYSMGZUHU-JTQLQIEISA-N	238.396	4.665	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1ccc(C)cc1F	165781807	OAQKPGULSDAHMH-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
CCN[C@H](CCCC(C)C)c1cscc1C	165953889	RXJWSARTFOJASP-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@@H](CCC)CC1CCCCCC1	168943154	LQCHJZSLIPFCHD-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
FC(F)=Cc1ccc(-c2ccccc2)cc1	225703861	VOXKSAHNCGAIFN-UHFFFAOYSA-N	216.230	4.591	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)(C)C)C(CC)CC	228692134	BNBPAMVRJYJBLR-HIFRSBDPSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC(=O)c1scc(C)c1Cl	232852859	PTFHAYDBWXMENU-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
CCCCCC[C@@H](C)NCC1(CCC)CC1	232938290	HNCVYPFPIAQXAH-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCOc1cc(C)ccc1N[C@@H](CC)CCC	233240657	ZQWXOKGAWNSUJX-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@H]1CCC(C)(C)C	250766112	GPNSSFNANYWDOB-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@@H]1c1c[nH]c2ccc(F)cc12	300263653	WRZLIZWWTMSTOK-CQSZACIVSA-N	245.341	4.991	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](NC[C@H]2CC=CCC2)C1	300308661	KCCLCGUZPDKGHT-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H](C)Cn1ccc2c(Cl)cccc21	302282633	FLFFAIVOWVYOOR-GFCCVEGCSA-N	249.785	4.977	0	10	BJAE	
Clc1ccc2ccn([C@H]3C=CCCC3)c2c1	303730700	DMHKNUBYDJCMCL-ZDUSSCGKSA-N	231.726	4.576	0	10	BJAE	
CC(C)CC[C@@H](NC1CCCCCC1)C1CC1	306027070	KNUMVBARKPFQNX-MRXNPFEDSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCC(=O)C(C)(C)C)C1	309454812	PIZVGLCEWXCQDS-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCSc1ccccc1NC[C@@H](C)C(C)C	309838960	NLDULQPOMHIKNX-GFCCVEGCSA-N	237.412	4.503	0	10	BJAE	
CCCNC[C@](C)(CCC1CCCC1)C(C)C	310069880	LOHLIQVSWRNBCY-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(N)CCCCCCC2)C1	310227537	OCFDLASGTUQTKU-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCNC[C@]1(CCCC(C)(C)C)CCC[C@@H]1C	317270966	BUEVREOYCFCXMS-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CC[C@](CCCC(C)(C)C)(CNC)C1	318060522	UPXTUJOKTIYDEK-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCCC(=O)C(C)(C)C1CCC1	322787583	PCRQYJTXKWUUCZ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CCCC2)C1CCCCC1	328179316	MUCKPVVWRUIPQO-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](C)[C@@H](CC)C[C@H](C)C1CCCCC1	379967578	GDITVFQHFRSADF-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CCCC(C)(C)C)C1	382693442	RHLOSALFZAVYRZ-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](CCCCC1CCCCC1)NCC	383129641	RRWPTRCCOQZPOS-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
C/C(=C/CCNC1CC1)CCCCCC(C)C	383393655	PNQYCHUFMGCWDQ-GDNBJRDFSA-N	237.431	4.681	0	10	BJAE	
CCC1CCC(O)(CCCCCC(C)C)CC1	383464042	BHEQEXLHTFDCFM-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CC/C=C/CN[C@@H](c1cccs1)C1CCCC1	384761104	QEBPRASGWVITGE-YFCVBGDOSA-N	249.423	4.535	0	10	BJAE	
CC(C)CC[C@H](NCCC1=CCCCC1)C1CC1	385368407	AMFPPEBXHDZNNB-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1CCC(C)(C)CC1)c1ccco1	386446009	CZWZEYSWRMJUNH-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)[C@H]1CC[C@H](CC)CC1	393293622	SMUWEJNKERYWGF-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)C1(C)CCCCCC1	394586035	GJKXWBASGMITIM-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H]1CCC[C@H](C)C1	400478577	VKYYKSSSJSJGHB-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(F)c(C(=O)CCC(C)(C)C2CC2)c1	405855313	ZRHZYBSUXKGIIP-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@H](CC(C)(C)c1ccccc1)NCC	686714410	UOZUUFRLAHZSDX-MRXNPFEDSA-N	247.426	4.523	0	10	BJAE	
CCC[C@@](C)(CCCC(F)F)CNC(C)(C)C	688745108	DKKUSPPJXSXOIK-AWEZNQCLSA-N	249.389	4.616	0	10	BJAE	
Cc1scc(C(=O)CCCC2CCC2)c1C	688820253	RSWHGDIWCCTJAR-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(c2cccc(C(C)C)c2)C1	688936665	CGLUUMPQLGLPGN-PBHICJAKSA-N	246.394	4.598	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC23CCCC3)c1Cl	694418342	MUVYGHWISNMUOD-CYBMUJFWSA-N	249.785	4.783	0	10	BJAE	
CC1CCC(C[C@@H](N)[C@H]2CCCC3(CC3)C2)CC1	695982710	GOBKATDKNBWDAK-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](CC1CCCCC1)NC	696549214	FZZLAHXAVURPJJ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1(C(C)C)CC1	697558268	KGAUWVCTGMNHFR-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccccc1OCc1ccccc1C	699493483	GPUDAPRNINBFQA-UHFFFAOYSA-N	240.346	4.527	0	10	BJAE	
CCCNC[C@H](CC(C)(C)CC)c1ccccc1	701150023	VSUTVBFJUGVBGT-INIZCTEOSA-N	247.426	4.596	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1C[C@@H]1C(C)(C)C	704171469	UVWGNSPLEVFNBM-AJNGGQMLSA-N	239.447	4.602	0	10	BJAE	
CC1(C)[C@H]2CC[C@](N)(CCC3CCCCC3)[C@H]1C2	704416237	QPKBDBWFUOTWRD-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(CCC1CCCCC1)C(C)(C)C	704917544	ZPHWCUSZAKSREY-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CCC12CCCCC2	705250727	FQUYIZRHPGOXGT-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CSc1ccccc1O)CC(C)(C)C	709232495	CBYXFONMZCMBFE-NSHDSACASA-N	238.396	4.557	0	10	BJAE	
C[C@H](COc1ccc2[nH]ccc2c1)CC(C)(C)C	709260192	JSNDUALKOGQLAX-LBPRGKRZSA-N	245.366	4.619	0	10	BJAE	
CC(C)c1ccc(OC(C)(C)C)c(Cl)c1	709893745	SDKCCLQAKVFOLG-UHFFFAOYSA-N	226.747	4.641	0	10	BJAE	
Clc1cscc1[C@@H]1CCc2ccccc2N1	710465808	PVOXVNIXJAKGNO-ZDUSSCGKSA-N	249.766	4.501	0	10	BJAE	
CN[C@@H](CC(C)(C)C(C)C)c1c(C)cccc1C	713242349	XYVAURVHMDWCIR-HNNXBMFYSA-N	247.426	4.636	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)c1csc(C)c1	713681775	UHTKKYPOYLVBGO-XHPSBEMXSA-N	249.423	4.620	0	10	BJAE	
CCCC(CCC)N[C@@H]1CC[C@H]2CCCC[C@H]21	714303391	JFXGTLOKSWDIOP-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NC2CCC=CCC2)CC1	718053530	QHKJKWGEKHDTFW-NVXWUHKLSA-N	249.442	4.680	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1CCCC[C@H]1C(C)C	718521661	WKEOQQSJZLMCRV-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
COc1cc(C)c(CCC(C)=C(C)C)cc1C	718644115	ATEFNNXDYCPEPC-UHFFFAOYSA-N	232.367	4.601	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1cc(Cl)cs1	718744014	YJKLVFMBHYOBTI-NSHDSACASA-N	244.787	4.571	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)CC1CCCCCC1	718748394	BNKUDLAMSLDFFH-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(C)cc(CSc2ccccc2C)c1	1656234233	FNGCHSYGLHJMOZ-UHFFFAOYSA-N	242.387	4.904	0	10	BJAE	
CC[C@H](C)c1ccccc1N[C@H](C)C(C)C	1857847836	BVGBOMIGHYWVIY-QWHCGFSZSA-N	219.372	4.657	0	10	BJAE	
CCC[C@H](C)N(Cc1ccccc1)[C@@H](C)C(C)C	1880409210	JWGMLXLCUBACKL-HOTGVXAUSA-N	247.426	4.722	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCCC[C@H]1C	1900717259	NPHUALPPGYTJQP-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](CCCC(C)C)CCC[C@@H]1C[C@H]1C	1908546300	CCXKXNDUZPZAMV-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC[C@@H]1C[C@H]1C)C(C)(C)C	1908551276	CTAXTAFLLNQZPP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H]1CCC(C)(C)CCC1=O	1908593569	BADISHXIRMIWLR-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc([C@@](C)(O)[C@@H](C)CCC(C)C)c(C)c1	1919920682	RVUABBJUXJWXMA-RDJZCZTQSA-N	248.410	4.583	0	10	BJAE	
CCCCCC[C@](C)(O)CC1CCC(F)CC1	1919989684	YQXZLQHYQQQHRT-NRXISQOPSA-N	244.394	4.626	0	10	BJAE	
CC(C)CC[C@H](N[C@H]1CCCC12CCC2)C1CC1	1921502457	MHZFAEFLTKJFJT-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@@H](C[C@H]2CCCc3cccnc32)CCCC1	1925830013	MIPQXULASFAHGQ-GDBMZVCRSA-N	241.378	4.638	0	10	BJAE	
CC[C@@H]1CC[C@H](CN)[C@H](C[C@H]2C=CCCCC2)C1	1925894135	YBFSTSRYKWGWTG-TWMKSMIVSA-N	249.442	4.524	0	10	BJAE	
OC1(C[C@@H]2C=CCCCC2)CCC2(CCC2)CC1	1925912495	OOISMPLNSWRKPC-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@](O)(CC)CC1CC1	1939402966	JRQHWQBEZHJCCC-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC1(CCCOc2cccc3sccc23)CC1	1940866005	XDKMUWWSJGZFSI-UHFFFAOYSA-N	246.375	4.860	0	10	BJAE	
CCN[C@H](CC[C@H](C)CCC(C)C)C(C)(C)C	1942658333	GVDZVQKQIWAGGR-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C)CC1(N)CCC2(CCC2)CC1	1944599642	GGKXTXDCDIXYMH-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@@H]1CCC[C@@H]1C	1944849226	KVPCNSSCQVWDBY-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(C)CCNC(C)(C)C1CCCCC1	1945379936	PDVKTOVEKUJTMM-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](C)N[C@H]1CCCCCCCC1(F)F	1947372185	RCZMYHNPIXZDIR-STQMWFEESA-N	247.373	4.513	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC[C@H]1C(C)C	1947416634	BOKCSTUKJWGURV-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H](C)NC1CCCCCCCCC1	1947881637	RBEMHOQATMVKST-OAHLLOKOSA-N	239.447	4.904	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H](C)[C@H](C)CC(C)C	1948330919	CJRDYNLYQRJRRD-PMPSAXMXSA-N	241.463	4.862	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C1=CCCCCC1	1948977524	GSCDJWVZZMAWPD-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H]1C[C@@H](CCC(C)C)CCC1(C)C	1949651684	BPEPYCONNOEVSA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)C=CCCC1(C)C	1949665827	UABQMSDUSZSAJU-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@H]1CCC[C@H](C)CC1	1950925851	XGHHTKQDINKSKJ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(C2CCCCCC2)CC1	1950930478	PGNGVRINRBWJHT-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCCCCN(CCC(C)(C)C1CC1)C(C)C	1967663337	HCQMZYRLZJHHFT-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC[C@@]1(C)C=CCCC1	1967836795	JJHNSFLUYDTROB-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H]2CCCC3(CC3)C2)c1	1968307795	QHHHOJUHYUEXSH-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
Cc1ccc(F)cc1NCC1CC(C(C)(C)C)C1	1968312327	JHVPXBVJWNQULU-UHFFFAOYSA-N	249.373	4.618	0	10	BJAE	
CC[C@H](C)c1csc(-c2ccc(C)cc2C)n1	1968436479	SAMWODYMISSQNB-NSHDSACASA-N	245.391	4.940	0	10	BJAE	
CCCCC1CC(N[C@H]2CCCC23CCCC3)C1	1969958892	VJKRYVKIVMFXSI-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC(N[C@@H]2CCCC23CCC3)CC1(C)C	1970018136	OBGOIVRAFUBOFT-CQSZACIVSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)NCC1CC(C(C)(C)C)C1	1971517696	CXDLVBGMEIQYIC-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H]1CCCCC12CCC2	1972829088	HPMKVHNJMFAZQO-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCCC[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	1978437241	OTFSAJRGNOROEY-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](C)(CCCC)CNC(C)C	1978638563	MDEDYRWUTBMIBG-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H](C)C(C)(C)C	1990092174	WDLDHJGDEYSIAY-DZGCQCFKSA-N	227.436	4.747	0	10	BJAE	
CCCCc1ccc(C[C@@H]2C=CCC2)cc1	1992373729	AEMVALYCCVEJOY-OAHLLOKOSA-N	214.352	4.538	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1CCC[C@H]1C	1995205736	VCUVONRVNDSOFC-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)C[C@@]1(O)CCCC2(CCCCC2)C1	1996647645	PJLHLLQEWVTUOG-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@]1(C)CC=CCC1	1997551203	JRVHXLQDJSDWRS-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@@H]1C=CCCC1	1998384643	JJSFOTYYZUMMMS-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCC[C@H]1CCC=CCCC1)C(C)C	1999991909	DJRCQKDZENRVHE-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)C[C@H]1CCC=CCCC1	2000005152	YMQPCQHSNLLWMW-GJZGRUSLSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)C1CCC(C)CC1	2000322366	GTURKJWFAFJFML-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)[C@H]1CCC(C)(C)C1	2000324812	WRYKAUXFRWXREU-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCCC)CC(F)(F)CC	2000518398	NSQURKNNPFHGOV-ZDUSSCGKSA-N	249.389	4.618	0	10	BJAE	
C[C@@H](NC1CC2(CCCCCC2)C1)C(C)(C)C	2000673473	WDQKMUDMZPXIGH-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CCCC2CCC2)C1	2002997383	CGCHJZNCQASFSD-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
OC1(C2=CCCCCC2)CCCCCCCC1	2003110137	BGCZJDBDHSUPSR-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1CCCC2(CC2)C1	2003217753	MEDOWMUCECYJAP-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC1CCC(C(=O)[C@@]2(C)C=CCCC2)CC1	2003326802	PPVKEYNEZMUOHJ-XUJLQICISA-N	234.383	4.518	0	10	BJAE	
CN[C@H](CCC1CCC=CCC1)c1cccs1	2003687336	FJBKXNNRMFSXLV-CQSZACIVSA-N	249.423	4.535	0	10	BJAE	
CCC(C)(C)CC[C@]1(CO)CCCCC12CC2	2005569246	DVLUPZXJULREGE-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CC(C)C1CC(CC(=O)CC2=CCCCC2)C1	2007767271	IYEXGNUZJYESGX-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H](C)CC(C)C	2007935634	WJBRKUONFUEDAV-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(Cl)c([C@H](N)C=C2CCCCC2)c1	2007941182	ZBSGXISDLBKELP-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CC[C@@H](C)CC[C@H]1NCC	2009407464	NIPSUKWDCYPOAS-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H]1NCCC12CCC(C)(CC)CC2	2009768970	DXLSTRNWKUSCCP-FHERZECASA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)C1=CCC(C)(C)CC1	2010716358	FDIGEVQUGITWNB-CZUORRHYSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)C1=CCC(C)(C)CC1	2010727708	YWWGJTQVZAHWSZ-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H]1C[C@@H](N)CC2(CCC2)C1	2012056511	HMMKUMMXTVXCJM-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@](CC)(CNC(C)C)C(C)C	2012424823	GYIFIFAEBLYARG-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCc1cccc(OCC(C(C)C)C(C)C)c1	2015382931	HLPBQMPHDUVGFF-UHFFFAOYSA-N	234.383	4.556	0	10	BJAE	
CC(C)C(C[C@@H]1CCCCCC[C@@H]1N)C(C)C	2015411937	JOFFJTTWNVOVAY-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CCCC[C@@H]2C)CCC1	2015636411	XEUUTNYVUIXNHA-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@H]2C(C)C)CCC1	2015644116	JODRPYKNNHYHAC-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@H](C)C(C)C)CCC1	2015645052	RHYDDBGXZLABGG-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC1(C(C)C)CCC1	2017118024	BWKVHXNRWMMZMF-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(C[C@](C)(O)CC(C)C)CC1	2017650435	GZVUTMOLIJGEJO-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CC[C@H](CCC)CC1	2017655509	NLYSOSVBCOAZIX-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCC1(C[C@@]2(N)CCCCC[C@H]2C(C)C)CC1	2018987639	MHJVNSHQROQRIS-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1(CCC)CC1)NCC	2018999899	NJISVPNOGFAWGK-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC=C(CC)[C@@H]1CCCC(C)(C)[C@H]1NCCC	2020978740	WOCYXGDHXLDXQH-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](O)CC[C@@H]1C[C@@H]1C1CCCCCC1	2022527956	DLOFYASHPRMZOL-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@H](C)CC(C)(C)C	2022689862	XKNDDYXRNIZLTK-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](C)(CCCCC(C)(F)F)CNCC	2023286875	BQNRCXJMNPYGGV-CYBMUJFWSA-N	249.389	4.618	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](C[C@H]2CCCC(C)(C)C2)C1	2024091450	IQNZXGQQOQODNC-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCCCC[C@H]2CC)C1	2025595725	GIQFJUNZTCCLEW-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(CCCCCC2CC2)C1	2025628084	AQBAOBULQOLXIO-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CNC2(C3CCCCC3)CC2)CCC1	2027379110	HHVFZKFNVWYCSJ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc([C@@H](O)CCC[C@@H]2CC2(C)C)cc1C	2027842923	MQVHCSIKPIMUMB-CVEARBPZSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc(C)c([C@H](O)[C@H](CC(C)C)C(C)C)c1	2028238837	FCTAHRMHVBJULR-NVXWUHKLSA-N	248.410	4.655	0	10	BJAE	
Cc1cccc([C@H](N)[C@@H](CC(C)C)C(C)C)c1C	2028255725	SLJYMNZSHJKCTR-IRXDYDNUSA-N	247.426	4.622	0	10	BJAE	
CCCN[C@H](c1ccc(C2CC2)cc1)[C@H](C)CC	2028590752	MHEIDDXRLRPGFH-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
Cc1cc(C)cc(C(=O)CCCCCC2CC2)c1	2028625933	OETZBOXKLNHFPJ-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CCN[C@@H](C[C@H]1CC=CCC1)C1(C)CC(C)(C)C1	2029110702	WWLFVWYHMDPMBZ-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](c1ccccc1C)[C@@H](C)CCC(C)C	2029836201	JPPHWDHMGRNCPT-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CCC(C)(C)[C@@H](N)c1ccc(C2CCCC2)cc1	2031752916	UCWFBTJUMIZWCR-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
C[C@H]1CC(C[C@@]2(N)CCC=CCCC2)C[C@H](C)C1	2031824033	DNTRPVVLHNFQHH-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCC[C@H]1CNc1ccc(C(C)(C)C)cc1	2032515150	QKQQXLFENSWAMX-KBPBESRZSA-N	245.410	4.832	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CC[C@H]3CC[C@H]2C3)CC1	2035043496	KCCOZGACHSVXCJ-UKPHBRMFSA-N	249.442	4.501	0	10	BJAE	
Fc1cccc2c3c([nH]c12)C[C@@H]1CCCCC[C@@H]31	2035859801	CYNGERJSTXVIAO-WDEREUQCSA-N	243.325	4.527	0	10	BJAE	
CN[C@H]([C@@H]1CCC2(CCCC2)C1)C1(C)CCCC1	2037761450	HFPSQUKGLNKQLM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2CC23CCCCC3)CC1	2039010589	ABKGTQLPXQAHAF-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CCC[C@@H](C)CC1	2039371314	VTZNKGPDDNVKOO-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)C[C@H]1CCC[C@@H](C)C1	2039433990	GJUUNWVDQDKRCT-YYESSZKYSA-N	249.442	4.523	0	10	BJAE	
CC1([C@](C)(N)CCC2=CCCCC2)CCCCC1	2039850440	SYAKIBUKNWMVSF-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC1CCC([C@H](C)N[C@@H]2C=CCCCCC2)CC1	2040648864	XILQVCJPFYKORG-ODZFXCKXSA-N	249.442	4.680	0	10	BJAE	
CC1(C)C[C@H]1C[C@]1(N)CCCC2(CCCCC2)C1	2040764470	COZVEWJXTWGDOA-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CNCC[C@]12CCCC1(CCCCC1)C2	2040766056	YNZOPZXVAPBYFT-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2=CCCCCC2)CC1	2041374797	DFEUONQALYVWNG-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@@]1(C)CC=CCC1	2042015459	AGWPSAAEHPJHIY-IRXDYDNUSA-N	243.394	4.556	0	10	BJAE	
CC(C)=CCC[C@]1(CNC(C)(C)C)CC=CCC1	2042094047	MYTVYNBLQLLLHI-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CC1(CN[C@H]2CCC3(CCC3)C2)CCCCCC1	2043605873	FKLTWKQXLNBSEX-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC[C@]1(C)NC[C@H]1CCC=CCCC1	2045326024	KCJLCSMQQWNBLK-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CC[C@@H]1CCC=CCCC1)c1ccccc1	2045332004	KVIXMIMEADOEEF-NVXWUHKLSA-N	243.394	4.603	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H](c1ccccc1)C(C)C	2045673022	APPUGNKHOIGQLG-MRXNPFEDSA-N	246.394	4.822	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H]1CCCC[C@@H]1CC	2045822402	IASCLICMDYVCMK-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2046491056	UDJUSGOOQXWWIR-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
O=C(CCC1=CCCCC1)C1[C@@H]2CCCCC[C@@H]12	2048371954	UDFDCZUNULWVQT-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CCCC1CCC([C@H](C)N[C@H]2CC=CCC2)CC1	2049425187	PNZRUJKDFWTMOF-OTBWCIGPSA-N	249.442	4.680	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)CC2CC3(CCC3)C2)C1	2049536039	JEUPYRPPYPJWIP-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(CC(=O)C2(C3CCC3)CC2)C[C@H](C)C1	2051905650	NKAJOMDQXCESTD-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C[C@H](N)C2(C3CCC3)CC2)CC1	2051910440	HVRGAODBGQWTLS-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2CCCCC23CC3)C1	2053433223	DRJZKOJTLCHGGQ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(=O)CC(C)(C)Cc1ccccc1C(C)(C)C	2053962634	ZDWGNAZGRPPVKY-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccc(CCF)cc2)CC1	2055668073	AWMNMEAOPCTEQR-HIFRSBDPSA-N	249.373	4.579	0	10	BJAE	
CC1(C)CCC(=O)[C@@H]([C@@H]2C=CCCCCC2)CC1	2058992761	VOOAMULCZGMCKA-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)C1(CC)CCCC1	2060921736	NFWITAGWFSWYEA-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@@H]2CCC[C@H](C)C2)CC1	2061099331	OIYDACITOUDIKP-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCC1CCCC1)CC1CC(=C2CCC2)C1	2061736754	KFWTVDPCUGGXNG-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2CC(=C3CCC3)C2)C1	2061738907	IEMXXSOJCAROGT-DYVFJYSZSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC12CC(CNC1CCCCCCC1)C2	2064089783	ZIQBMPJUXDKGPM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1CNc1ccc2ccccc2c1	2068346986	XABNSCMOYNSQDR-OAHLLOKOSA-N	239.362	4.688	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCC=CCCC2)oc1C	2068911956	LGOZOCFBUOVGLZ-AWEZNQCLSA-N	246.350	4.606	0	10	BJAE	
C[C@H]1C[C@@H]1CCNC1CCC2(CCCCC2)CC1	2071465858	MPKCTWLZNSHPMS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@@H]1C[C@@H]1CC	2071510626	JRGMTUCISDKUHH-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@H]2CCC3(CC3)C2)CCC1	2071936456	NDJMKMHFNLHAHP-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CC[C@H]2C2CCC2)CCC1	2071941417	TWBUCIUOKYMKCK-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)C1=CC[C@@H](C)CC1	2072090079	GVKDXPRKHZRDRE-MUIFIZLQSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC1CC2(C1)CC21CC1)NCCC	2072230483	ZTJVPFQNVKAKBD-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)CC23CCC(CC2)C3)CC1	2072793160	HQSAAUIFRNRMHT-ZPBWDRIISA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@]2(N)C=CC[C@@H](CC)C2)CC1	2072815847	PUYPCPPPDJWANQ-MNAZLIDISA-N	249.442	4.667	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@@]12CCCC[C@H]1C2	2074101851	PNEKMNODCKEHBU-DIECFANBSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)C1(CC2CC2)CC1	2074642279	SKUCVKXMYIFAOV-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCCC[C@@H]1C1CCC1	2074901290	XBGURSWKDOPFDA-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
CC(C)(C)[C@H]1CCCN1[C@@H]1CCC12CCCCC2	2075010620	MEPAQUSBZIXXFJ-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CCC2(CC2)C1	2078345346	CSAUQPOSZFFJQX-CYBMUJFWSA-N	243.394	4.729	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079834002	ZTOWXBYJYRDPSU-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC[C@@]12CCC[C@@H]1C2	2081777508	FEYZFPAVPQGKAE-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]([C@H]1CC[C@@H](N)CC1)[C@H]1CCC2(CCCC2)C1	2082132370	DIXMDABLHVETIZ-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@]2(C)C=CCCC2)C1	2082987540	QZESULXLENMUSJ-YOEHRIQHSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1ccc2[nH]c(C3CC4(CC4)C3)cc2c1	2083313846	FGXLSXOHNIDKGU-UHFFFAOYSA-N	239.362	4.949	0	10	BJAE	
CCc1cccc2cc([C@]34CCCC[C@@H]3C4)[nH]c12	2083314564	JZZQZLRGAKQPIM-PBHICJAKSA-N	239.362	4.562	0	10	BJAE	
Nc1ccccc1C=Cc1cccc2ccccc12	2092733909	AQVPFPPSRIVJJA-UHFFFAOYSA-N	245.325	4.592	0	10	BJAE	
CCC[C@H](CCC(C)(C)C)CN[C@@H](C)CC	2212597679	PHQXKOVBKKGKST-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@H](CC(=O)CCCCCCC1CC1)C(F)F	2213578529	NFNITIMLLPXLAN-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
Cc1cc(C)c(C[C@@H]2C=CCCCC2)c(C)c1	2215999890	VIWRZNDSYZASRW-MRXNPFEDSA-N	228.379	4.901	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(CC2CCCC2)C1	2216253291	QPIXVMYDNKENFZ-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1[C@H](N)CCCCCCCC1CC1	2216880385	UTWSQVQIJZGFDZ-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@@]1(CN[C@@H](C)CC)CCC[C@@H]1C	2217125393	PEAZELJMBSSELE-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CN[C@@H](C)CC)CC1(C)C	2217134637	DEJTWQMUMSBFHA-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
O[C@H](CCCCC1CC1)c1ccccc1C1CC1	2220028134	PIMVVTGSTAIROB-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
N[C@H](CC[C@H]1C[C@@H]1C1CCCC1)C1CCCCC1	2220297408	WCIHIOHBTWRFBO-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@@H]2CC[C@H]2C)cc1	2220579095	FOWHHJODCPQWPS-IXKJSCDLSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H]1CCCNC12CCCCC2	2220919606	PNVPBXDTAMSJDY-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2CC[C@H]3CCCC[C@H]3N2)C1	2221026210	SXHQTEUEGWDVFT-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CC[C@@H]3CCCC[C@@H]32)C1	2221041318	RSJSVRBBKJWAIX-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1([C@@H]2CCC[C@H]2C)CC=C(C)CC1	2221665146	FACKTNVLNLQJPD-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC1=CC[C@@H](CNCCCC2CCCCC2)CC1	2221666788	JNROJZKFSDAEKS-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccc(C2CCC2)cc1	2223680831	IOBKFVXBOCCKSI-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H]1CCCCCCC[C@H]1O	2247309706	WTLNREAYPRMOSF-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@](C)(O)CC1CCCCC1	2247419938	UOAZTIFYQKZHNZ-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@@H]1CCC12CCC2	2247433847	PQMBWEIKTWENIZ-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@@]1(C)CCCN1	2250469613	QLCMITKUIAELOB-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@]1(N)CCC1(C)C	2250476911	RHHMMEGBWZDIAG-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCCC(=O)C1CC(CC(C)(C)C)C1	2251537751	AEKQOYHGEPNVLS-UHFFFAOYSA-N	236.399	4.764	0	10	BJAE	
CCCC1(C[C@H]2CCc3cccc(C)c3N2)CC1	2253874940	PGOWENCDEKRLME-OAHLLOKOSA-N	243.394	4.692	0	10	BJAE	
CC[C@H](NCC[C@@H]1CCCCC12CC2)C1CCC1	2253888894	IQWSZYNBZADXGE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1	2253934109	GAJYYFDQYYKBEE-LVNYTYFRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CNC3(CCCC3)C2)C1	2253972851	RIKVYUKTDIPMHT-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)CC[C@H]1CCCC12CC2	2255233848	JDWKGDVYKZTYNP-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2CCCC23CC3)C1	2255329499	ZXNXLYABUWGWGV-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc([C@H](N)C2=CCCCCC2)cc1	2256293313	DTNNWDWKOUZBQS-QGZVFWFLSA-N	243.394	4.529	0	10	BJAE	
C[C@H](N[C@H](C)CC1CCCCC1)[C@H]1CC12CCC2	2256449951	YIVMHZNWUNZMLE-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
Cc1coc(C)c1[C@H](N)CCCCC[C@H]1C[C@H]1C	2257244710	DLFPQDHXEIOVJI-BYCMXARLSA-N	249.398	4.503	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNC1(C)CC2(CCC2)C1	2257321490	KOGCXBUPMTWMMF-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H]1CNC2(CCCC2)C1	2257361043	JZDQTQQDFJTLOU-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC2CC3(CC(C)C3)C2)C1	2259554745	RYCWRYMFWAQHCI-ZOWMAVEFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@]1(C[C@@]23CCC[C@H]2CC3)CCCCCN1	2260578199	KHEVBDXRRXQBEN-YESZJQIVSA-N	249.442	4.659	0	10	BJAE	
CC1CC(CC[C@@H](N)c2cccc(C(C)C)c2)C1	2261495555	OPPXBXPEWQGVIO-MQBCKMQZSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@]1(C)C[C@H]1C	2300459283	NVVWDNOCAWYDEN-CZUORRHYSA-N	231.383	4.576	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@H]1CCC(C)(C)C1	2300681833	STLXACNQLLLVEW-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(=CC[C@H]1C[C@H](C)CC1=O)CCCC(C)C	2300893833	XNJUNZUTAOPXCG-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](C)[C@H](C)CNC(C)(C)C	2301832757	MZGXGLYWRJGHTE-BARDWOONSA-N	241.463	4.575	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@H]1CCC(C)(C)C1	2302671261	MNLXDZPWIRHPNA-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@@H]1CCC(C)(C)C1	2302676464	VNDGDCZEVCGGRN-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC)CCC(C)=C(C)C1	2303468602	NNNJBMJAAYRYKO-XJKSGUPXSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@@H]1CCC(C)=C(C)C1	2303577942	WDQZOBKTMIXASS-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(C(C)(F)F)CCC1	2307910844	PUUDDVPJQWPVBN-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC1(CN[C@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2309181290	WPXYQVLEMOYGSY-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](N)(C(CC2CC2)CC2CC2)C1	2313685544	AIAKLPWFPVWPMS-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC=CC[C@H](NCCC)C1C[C@H]2CCC[C@H](C1)C2	2316531489	FXFLFPQYNDKBAO-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCCCC1)c1ccc(F)cc1	2316879794	GQLKQPRPAABQAD-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CC[C@](N)(CC1CC1)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316879854	HFIXKVUXPZKHCS-LLLHUVSDSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317120303	YFHUHYDLWFILSD-MZBWOGCUSA-N	249.442	4.536	0	10	BJAE	
CCc1cccc(C(=O)CCC2=CCCCC2)c1	2317935039	YFNCTFOISAVEQS-UHFFFAOYSA-N	242.362	4.712	0	10	BJAE	
C[C@H]1[C@@H](Nc2ccc(C3(C)CC3)cc2)CC1(C)C	2318197715	PBPJGTCNEMJZLL-WFASDCNBSA-N	243.394	4.585	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CCCC2=CCCCC2)[C@H](C)C1	2318545858	NCJIWANXALFVOK-INMHGKMJSA-N	249.442	4.811	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)C[C@H]2CC[C@H](C2)C1	2318552454	YESGHZVCAATQRP-BJWYYQGGSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1[C@@H](CCCC2=CCCCC2)CC[C@@H]1NC	2318593102	QBKGQRGOSGBMBV-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)C1=CC[C@H](C)CC1	2318937039	VETKGKFTGGNFTF-XJNFMUPTSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2318939253	RPDZLZWAICRMPC-XSIBGMEISA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCCC[C@@H]3C[C@H]23)C1	2319323083	KAWZVPVLAIMBDJ-BHIOZNAESA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](N)C[C@@H]1C=CCCCC1	2320220387	XVABSMSMSPUROZ-QXSJWSMHSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C[C@@H]1CCC(C)=C(C)C1	2320334956	ABKQPBOCKHZWRE-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCN(C[C@H]1CCC(C)=C(C)C1)C1CCCCC1	2320387119	DKPUDECCGXVISK-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)C2CC(C(C)C)C2)CC1	2320395891	GSBSBLXXHOXSNE-RDHHWEPZSA-N	249.442	4.523	0	10	BJAE	
CC(C)C[C@H](C)C(=O)Cc1cccc(C(C)C)c1	2320623479	NZFAEEOBJNQYOS-AWEZNQCLSA-N	246.394	4.604	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@@H]2C[C@H]2C2CC2)C1	2321618318	CKXCAOVSJQOVLV-BJJXKVORSA-N	248.410	4.598	0	10	BJAE	
Cc1cc([C@H](N)CC[C@@H]2CCC(C)(C)C2)c(C)o1	2321640181	SELZVLGJZIGPHH-UKRRQHHQSA-N	249.398	4.503	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cc(O)ccc2C)c1	2327682636	XXSVHYSPACXLTB-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
CC(C)(C)Oc1ccccc1CC1=CCCCC1	2327919349	UPRORPLFLOEAJO-UHFFFAOYSA-N	244.378	4.907	0	10	BJAE	
CCCCCCNc1ccc(Cl)cc1Cl	20359118	PJEPQTJGNMTYRQ-UHFFFAOYSA-N	246.181	4.986	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccc(Cl)cc1	21009094	WLJVVVFQBJMVDT-NSHDSACASA-N	225.763	4.577	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC1CCCCCC1	21817418	GMXLMSNWBMRASM-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCN[C@H](CC(C)C)c1ccc(CC(C)C)cc1	35510618	NONKVUODSOZUPM-QGZVFWFLSA-N	247.426	4.582	0	10	BJAE	
CC1CCC(Nc2ccc3ccccc3c2)CC1	36951894	KDWLXRWNECQCHR-UHFFFAOYSA-N	239.362	4.830	0	10	BJAE	
Cc1ccccc1[C@H](C)Nc1cccc(F)c1C	43319594	VMTIHNDVRDNHTF-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1ccc2ccccc2c1	54440901	XRRTYEVATHHZBO-GUYCJALGSA-N	241.378	4.537	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCC[C@@H](C)CC1	86889480	VTZJFNZZCFUZEQ-DGCLKSJQSA-N	235.346	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(C2CCCCC2)CC1	86951489	KDAPEQOKTUFRPH-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](NCC)c1sc(C)cc1C	88047735	MTDSXSMEGOGNFU-ZDUSSCGKSA-N	239.428	4.596	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc(CC)c(CC)c1	97470623	YQKJUONCTYMFMY-QGZVFWFLSA-N	248.410	4.815	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC)C[C@@H]1CCC(C)C	109663297	VCLPWVJABDFWEA-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCCC[C@@H]1C(C)(C)C	109704140	MHORASMJNLOPPW-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CCc1cccc(C)c1NC1[C@@H](C)CCC[C@@H]1C	109900265	QNBSLHBAXHHHDP-STQMWFEESA-N	245.410	4.794	0	10	BJAE	
CCCC[C@@H](C)N[C@H]1CC[C@@H]2CCCC[C@@H]2C1	109946307	QRNUOVYHAGGVNC-QXSJWSMHSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)(C)C)C1=CCCCC1	111649413	QVUCKMWWUXFENY-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC(C)NC/C(=C/C(C)(C)C)C1CCCCC1	125578296	QGQVKFZGTJXQFA-PTNGSMBKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1cc2ccccc2o1	128095451	JYUCCGZKLBGNIC-LRDDRELGSA-N	245.366	4.649	0	10	BJAE	
Cc1cc(O)ccc1-c1cccc2ccccc12	156659263	OVVQFBRZLLHUCP-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
CCCC[C@@H](NCC)c1ccccc1C(C)(C)C	158298770	VVEIRYRQQQINSH-MRXNPFEDSA-N	247.426	4.825	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cccc(C(C)C)c1	163770167	HOVMVPLOZFFEJU-CJNGLKHVSA-N	231.383	4.801	0	10	BJAE	
CC1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1	168013389	ZPVIXRUBLYAQBG-UHFFFAOYSA-N	248.757	4.510	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H]2CCC[C@@H]2C)cc1	226524701	SFAHHGYOOOBHHC-BBRMVZONSA-N	244.378	4.648	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cc(Cl)ccc1C	229273613	ATKARNNNWBAAJV-YGRLFVJLSA-N	240.774	4.508	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC[C@@H](C(C)C)C2)c1	230986399	COADMUYRAQJSMQ-HZPDHXFCSA-N	245.410	4.930	0	10	BJAE	
CC[C@H](C)c1ccc(OC/C(C)=C/Cl)cc1	232012288	PWALVVCOLJREFY-ZKQHCESOSA-N	238.758	4.722	0	10	BJAE	
CC1(CN[C@H]2CCCC[C@H]2C2CCCCC2)CC1	232930959	LCAQITXDLKRMOR-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(N[C@H]2C=CCCC2)cc1	233020366	SEOJQNQNNAMHMP-HNNXBMFYSA-N	229.367	4.550	0	10	BJAE	
S=c1cc[nH]c(-c2ccc(C3CCC3)cc2)c1	236603836	DOONHSZCMJBTBV-UHFFFAOYSA-N	241.359	4.679	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1NC	250819207	KLIAYDQEELAQBS-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C1CCC(CC[C@H]2CCCC[C@H]2CNC2CC2)C1	302261515	OOTYHYQUIVFFFC-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(NC[C@H](C)CC(C)C)c(C)c1	302285554	FQUKGQVJTQGRJP-CYBMUJFWSA-N	233.399	4.706	0	10	BJAE	
CN[C@H](C1CCCCCCC1)[C@H](C)CC(C)C	302569283	ORPPIUIJWUXINT-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
O=Cc1cccc(SCCC2CCCCC2)c1	304122896	BCTNJFLEGABENF-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2CCC(C)CC2)C1	310479794	DLHLBSMAOSMVGK-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](O)C2(CC)CC2)cc1	310917892	JBYXKHJWIOKUFD-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCNC[C@@]1(CC(CC)CC)CC[C@H](CC)C1	317395234	GDRCTQJGOWWKHA-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@H](C)Sc1ccc(O)c2ccccc12	320049829	PWHVGSYPPDITKL-NSHDSACASA-N	246.375	4.682	0	10	BJAE	
C1=C(CNC2CCC3(CCCC3)CC2)CCCC1	379569681	ONRNCLWOVRMUNH-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCCCCC(C)C)C1	383290418	QUTCFPJBSIAZHP-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(OCC2CCC(C)CC2)cc1C	383938991	USGIRFHTOICBQX-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CCCC[C@@H]1C	384758947	AERXYJGEFGJEDB-ZFWWWQNUSA-N	244.378	4.819	0	10	BJAE	
O=C(c1ccc2sccc2c1)C1CCCCC1	386303976	ACGCVPVIQLICGE-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@H]1CC)C1CCCC1	387494106	DPBDANNJGVTEHF-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H]1NCC1CCCCCCC1	388923802	SFUSNHDMSBYGCE-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC([C@H](O)C[C@@H](C)CC(C)C)CC1	393894441	ALUVTVSIPNSKLO-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](N[C@H]1CCCC1(C)C)c1cccc(C)c1	393965746	OLPFTVISBCEQDH-HOTGVXAUSA-N	245.410	4.614	0	10	BJAE	
CCC1(CNCC2(C)CCCCCC2)CCC1	394684263	ZYUJYHOGVWEESA-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC(C)CCCCCNC[C@H]1CCC[C@@H](C)C1	394780195	YOGLFKRNMUBRSZ-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCC2CCCCC2)o1	395190135	YFKHFCPCYHWLDL-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CCC1CC1)NCC	395486612	DBDHGYWAFFSQBS-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
COc1sc2c(C(F)F)cccc2c1Cl	396289249	OKTZIOHGMJXWQC-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCCCc1ccc([C@H](O)[C@@H](C)C(C)(C)C)cc1	399151858	JPELSMNUGFLRQK-CZUORRHYSA-N	248.410	4.745	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@H](C)C(C)(C)C	399276475	SBRRHGYJLDOCME-BBRMVZONSA-N	247.426	4.753	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)C(C)(C)C1CCC1	402358287	OLULJEGMTFSXSU-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCCc1cccc(C(=O)CC(C)(C)C2CC2)c1	405891350	ONVJSTFLHQZYGR-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCN[C@@H](CCCC1CC1)c1cc(C)ccc1C	405897990	ZYQBQZZAMZGCQY-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCc1ccc2[nH]cc(C3CCCCC3)c2c1	527394864	PAIRSVJFGZHXSP-UHFFFAOYSA-N	227.351	4.778	0	10	BJAE	
CCCN[C@H](CCC1CC1)CCC(C)(C)CC	688446598	BTOINCANPZUITG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)CCNc1ccc(C2CCC2)cc1	690084185	HFAUXHRUVIWKEA-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1Nc1ccccc1F	691098685	JECCRRPZTHFSEL-UKRRQHHQSA-N	249.373	4.843	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CCCCC[C@H]1C	691104519	RWAIALJCQPPWFY-PMPSAXMXSA-N	239.447	4.760	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CCC12CCCC2	694416759	JOVCCWLMVCHLLG-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
CCC(C)(C)CCNCC[C@H](C)c1ccccc1	696677294	IEFHATWNMBBKOI-HNNXBMFYSA-N	247.426	4.596	0	10	BJAE	
CCC(C)(C)CC[C@H](CNC)c1cccc(C)c1	696689244	WRYNBQONYQGWQY-MRXNPFEDSA-N	247.426	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@H](C)[C@@H](O)c1ccccc1	696779120	CUSOLBFMRHHYMM-UKRRQHHQSA-N	234.383	4.573	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1cc(C)ccc1F	697773051	XKXKBESCWQEEEH-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC(C)=CCCCc1ccccc1C(F)(F)F	698003435	JQMJUQVSFFZZJN-UHFFFAOYSA-N	242.284	4.994	0	10	BJAE	
CC(C)=CCCc1cc(Cl)ccc1Cl	698086242	VAHORLBZOVZRBW-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
C[C@H]1CC[C@@](C)(C(=O)CCC2CCC2)C1(C)C	699024068	MBYDTWDKGRCMLF-LRDDRELGSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCCC(C)(C)CC1	701069414	QQZCEQKWLJADOD-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)[C@H]1CCCC[C@@H]1CNC(C)C	701150752	WBELHLFUQZBDPZ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC)C(C)(CC)CC	701244668	SQPQGOIEVKQZLO-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C/C=C/[C@H](NCCC)c1cccc2ccsc12	704615155	YYQIWRSYUYEOQH-ZRFDWSJLSA-N	245.391	4.518	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@@H](C)CC(C)(C)C	704728051	KCCHUVHSHNFECX-GOEBONIOSA-N	247.426	4.800	0	10	BJAE	
CCCc1ccc(NC2C[C@H]3CC[C@H](C2)C3)cc1	704787932	RWTCCWQGCJHXJN-GJZGRUSLSA-N	243.394	4.630	0	10	BJAE	
CC(C)c1ccccc1[C@]1(N)CCCCC[C@H]1C	704937154	CFACWVKRONBEDF-PBHICJAKSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@H](C)CC(C)(C)C	708295338	BLJFFBLTSXTSKF-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H](C)[C@@]12CCCC[C@@H]1C2	708879431	NQFQXPPEYVHHGY-SRABZTEZSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@@H](C)NC[C@@H](C)CC(C)(C)C)cc1	709188590	NYLPVCUOLBFHQL-LSDHHAIUSA-N	247.426	4.718	0	10	BJAE	
CC(C)C[C@]1(C[C@@H](C)CC(C)(C)C)CCCN1	709193555	WRGSDBAKDSIXPD-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](Nc1ccc(C2CC2)cc1)C1CCC1	709659008	JYFRVUTYZFAVFY-INIZCTEOSA-N	229.367	4.555	0	10	BJAE	
C[C@H](CN[C@@H]1CCCC2(CC2)C1)C1CCCCC1	709978241	JXDDTQUHKHCKFC-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC(=O)c1cc(C)c(C)o1)C(C)(C)C	711091894	CEIPIFRHZYFDKY-GFCCVEGCSA-N	236.355	4.542	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H](CC)C(C)(C)C	711182692	ZIUQBWAXZHREMU-KGLIPLIRSA-N	228.420	4.780	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)C(C)(C)C)C1CCC1	711185715	UVVORELSSNXYHC-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C(C)C)CC(C)C	713140509	LKPQDWZDHGDMKS-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C/CCCC[C@@H](NCCC)C(C)(C)C	713724316	BSTDGGADRNCWPC-XVJNWHFHSA-N	237.431	4.703	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CCC(C)=C(C)C)C1	718655489	YGZRUGWZXRJTNV-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)C1(C)CCC1	720709344	SYBMJNUXBDWBKS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC(CNc2cccc(C3CCC3)c2)C1	723534078	CBSVCLSKABPIOD-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CSCC(C)(C)C	1307343081	BOBHKSNWVWFNSS-NWDGAFQWSA-N	214.418	4.592	0	10	BJAE	
Clc1cccc(CSCC2CC2)c1Cl	1473037042	IBWWDJBATPDJCA-UHFFFAOYSA-N	247.190	4.637	0	10	BJAE	
C[C@H](NCC12CCC(CC1)C2)C1CCCCCC1	1645241241	KKBFAOKIHQHRHR-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](N2CCCC3(CCCCCC3)C2)CCC1	1657460563	UFCYAISXIQOUPT-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CCCc1ccc([C@@H](N)CCCC(C)C)s1	1900669336	TWDLWTWLPKFCHV-ZDUSSCGKSA-N	239.428	4.527	0	10	BJAE	
CCCC1([C@@H](N)CCC(CC)CC)CCC1	1900704046	ORTFQROFMOYQDM-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CO)CC=C(C)CCCC(C)C	1900903489	OPXQHIXKNDTLRO-OAHLLOKOSA-N	226.404	4.558	0	10	BJAE	
CC(C)(C)[C@@H](N)CCCC1CCCCCC1	1901061949	XQOVHKXSUGJYJT-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H](CC)CCC	1905381617	LFOCATDVYVIEOM-GJZGRUSLSA-N	228.420	4.924	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H](C)CCCC	1911984983	LDXPSMADEFNURM-HOTGVXAUSA-N	237.431	4.703	0	10	BJAE	
CCCCCC[C@@H]1CC[C@H](C)C[C@@H]1NCCC	1916012862	BZEGZNPIQWGGIW-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(CN)CCCC23CCC3)C1	1921655992	CCVXRJOEDFNCIR-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CCNC[C@@](C)(CCC(C)C)C1CCCCC1	1924115511	IUWPQELVEDRBBI-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(C)cc(C[C@H]2C=CCCCC2)c1	1925813458	ABYOZQLLOYCZKT-HNNXBMFYSA-N	214.352	4.592	0	10	BJAE	
C1=C[C@@H](CC[C@H]2C[C@H]3CC[C@H]2C3)CCCC1	1925815470	WTMXHJCZQFAMCI-WCVJEAGWSA-N	218.384	4.949	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)C(CC)CC	1940857067	SYBCEZMBBIPFOE-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@@H](CC(C)C)C(C)C	1941267631	VBZFVFKUMPPAFZ-JKSUJKDBSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1C[C@@H]2CCCC[C@H]21	1941717719	PASOLOZZUKXHLS-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCNC1CC2(CCCCC2)C1	1941795344	KCRRLMYVXYGJCH-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2CCC[C@@H]2C)cc1	1944783495	FZHKUQAPCAGDSY-ZFWWWQNUSA-N	232.367	4.625	0	10	BJAE	
CCC[C@@H](CNC(C)(C)C)C[C@@H]1CCC[C@H]1C	1944837785	VHTHKKUZOKNTTL-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@@H]1CC[C@@H](C)C1	1949430450	YGQXDRJZKBSMJY-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H](O)CC2CCCC2)C1	1949871242	RUWGDVOCNQOMTD-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C[C@H](O)CC1CCCCC1	1949906387	CWCBZDRWVZBKIO-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)C)C1(CC)CCC1	1951237766	CUDDCMMSSCZZKP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(N[C@H](C)C2CC3(CCC3)C2)cc1	1968313417	CHHBQDOZGBLCMQ-CYBMUJFWSA-N	243.394	4.630	0	10	BJAE	
CCc1ccc(N[C@H]2CCCCC23CCC3)cc1	1968314044	OFBUFIIMYLJTHU-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CCC[C@@H](C)CNc1cc(C(C)C)ccc1C	1968598382	XMJJHIBTCQHXNG-CYBMUJFWSA-N	233.399	4.967	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1973573148	KHUDCCDACZSXRO-SIRPWMCASA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](Oc2ccccc2Cl)C1	1978373805	FMQGVKMYORPPMA-NSHDSACASA-N	238.758	4.688	0	10	BJAE	
CC1(c2nc(C3CC3)cs2)CCCCCC1	1981426878	HXTLJTNRRLPJKL-UHFFFAOYSA-N	235.396	4.632	0	10	BJAE	
CCCc1csc(C2(C)CCCCCC2)n1	1981427097	IWTGIGKPWSCMOI-UHFFFAOYSA-N	237.412	4.708	0	10	BJAE	
CC=C(C)[C@H](NCCC)C(CC)(CC)CC	1983430369	AORGTSFTWFZXMZ-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1(CCC)CC1	1990574848	DKPNISAEJVDWTO-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@H](C)CC(C)C	1990819197	ZYZHYGYVLSGJPI-CQSZACIVSA-N	227.436	4.569	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@@H]1CC[C@H](C)C1	1996260817	RDJUNBLUYKEKEZ-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C[C@@H]1CCC=CCCC1	1999992433	VIHJCZPKPGLJPY-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)C[C@@H]1CCC=CCCC1	1999993191	KKUOTYOWLANNSQ-CABCVRRESA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CCC)NCC1(F)CCCCC1	2001385400	SJUAQLXEAFBFLS-AWEZNQCLSA-N	243.410	4.607	0	10	BJAE	
CC(C)(C)C1CC(C(=O)CC2=CCCCC2)C1	2002326665	HMTOXZGLMHKQEH-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCC[C@H](O)C1(C)CCCCCCC1	2004921023	QKBXQFBTIQJHKD-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
Cc1ccsc1C(=O)[C@@H]1CCCCC12CCC2	2005565287	SHDINZKMAXQNAV-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@@H]1CCCCC12CCC2	2005592289	PDROGHKYDZPHPH-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)C1CCCCCC1	2007623141	RIYCMLWOBAZDTC-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](CC1CC(CC)C1)NCC	2007750117	SXAHFRQRMBZFDC-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCC(C)(C)C)[C@@H]1CC	2009248529	JDLAWEZMUNECLI-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H]1CC[C@@H](NCCC)[C@@H]1CC	2009248673	KBTGWHLFSUSZOT-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCC=C(C)C)[C@H]1CC	2009250388	WYYCJVXNSZLEFF-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H]1CCC(C)(C)CC[C@@H]1NC	2009408426	UEYJCDLKTLQGOZ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@H](NCCC)[C@H]1CC	2009620450	VQXWVNKZWHCDFG-ATXAQRJXSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C[C@H](O)C1=CC[C@H](C)CC1)C(C)(C)C	2010626328	XULAVOYGQLPDJG-CFVMTHIKSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)[C@@H](O)CC1=CC[C@H](C(C)(C)C)CC1	2010711630	BZUOMGIBJMZZGU-KBPBESRZSA-N	238.415	4.556	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@H](CCC)C(C)C	2010988446	MFSNVWWSNVEXMD-HZPDHXFCSA-N	237.431	4.548	0	10	BJAE	
CCC1CCC(C(=O)CCC[C@H]2C[C@@H]2C)CC1	2011569402	FOFGHERJOQWZLC-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CCCCCCNCCC12CCC(CC1)CC2	2012787029	CVWNFBBAWOZNLI-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC12CCC(CC1)C2	2012817653	KBEDHAMLQVHJCA-SHARSMKWSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@@H]1CCC[C@@H](C)C1	2013311336	ICEBQZXSWCGWDQ-BZUAXINKSA-N	239.447	4.712	0	10	BJAE	
C[C@H](Nc1ccc(CF)cc1)C1(C)CCCC1	2014339753	NPHGPXKALNTNSE-LBPRGKRZSA-N	235.346	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@H](C)C(C)C)CC1	2015271712	NYZFIOBJRKCDBL-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C[C@@H](N)C(C)(C)C(C)(C)C)C(C)C	2015285621	YFRIGKDLEPSEAC-CQSZACIVSA-N	241.463	4.704	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C[C@H](C)C(C)C	2015291106	PNJGTVVSFFASMF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(OCCC(C(C)C)C(C)C)c1	2015388214	NTMRQZDWWWTKML-UHFFFAOYSA-N	234.383	4.692	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)C1(CC(C)C)CC1	2015754551	GFAMEHNZWUUKJG-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1CCCC(C)=C1C	2016144076	IGQJMCORFQORGR-GDBMZVCRSA-N	235.415	4.600	0	10	BJAE	
CCCNCC1(CC(F)=C(C)C)CCCCC1	2017467756	YQGHTXZKQVPXFW-UHFFFAOYSA-N	241.394	4.590	0	10	BJAE	
CC(C)=C(F)CNC1CCCCCCCCC1	2017468698	MCWKPPYNOFZYGY-UHFFFAOYSA-N	241.394	4.733	0	10	BJAE	
CC[C@](O)(CC1CC1)C[C@H]1CC[C@H](CC)CC1	2017652318	FMHSIKHZQGEGRL-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2ccccc2C)CC1	2017731903	WTQIFXYILGMXNT-SHTZXODSSA-N	231.383	4.623	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@H]1CCC=CCCC1	2017793496	JZCULMIMBIVUFI-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](CC)N(C)CC1CCC=CCC1	2018189553	UUDZULUAWNCRGX-MRXNPFEDSA-N	237.431	4.633	0	10	BJAE	
CCC[C@H](C(=O)C[C@]12CCCC[C@H]1C2)C(C)C	2018634474	YGUHQHUMSQBWTD-OFQRWUPVSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2018921317	MWAQSQPCVMLBGK-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCC[C@H](C)CC2)CC1	2018925613	UZKZXPFVDSHNSF-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)CN(C)C1(C)CCCCC1	2019187315	ABMXDYNCFMLEJO-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CC[C@H]1CCCN(CCCCCC(C)C)CC1	2019341196	XFSZAWGVKXPFSN-INIZCTEOSA-N	239.447	4.715	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1C[C@@H]1CCC)NC	2022483016	HQEDPFBSYVOLDG-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)C1CCCCCC1	2022553907	KHFJCEJWOLXGKC-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(C)c1NCCCCC(C)(F)F	2023289753	IMMQWGUFKNUUER-UHFFFAOYSA-N	241.325	4.541	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC(C)(C)C1(C)C	2025011534	RRUMGUYCJURXFA-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1cc(C)c(C)o1	2026079216	LONVCKGNKUPCAF-NSHDSACASA-N	236.355	4.686	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC(C)(C)C(C)C	2026165583	CPLMSBPBZBBYHQ-CABCVRRESA-N	241.463	4.993	0	10	BJAE	
c1sc([C@H]2CCCC3(CC3)C2)nc1CC1CC1	2026535341	IHPABSUBIWKSMN-LBPRGKRZSA-N	247.407	4.533	0	10	BJAE	
CC1(COc2ccc3[nH]ccc3c2)CCCCC1	2027292125	RCISRSXODRLZQQ-UHFFFAOYSA-N	243.350	4.517	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@]1(C2CC2)CCCCCN1	2027856321	XMBZCPZYPYLFMB-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1ccccc1C1(C)CC1	2032242377	GRUOEMONNODDEX-UKRRQHHQSA-N	243.394	4.729	0	10	BJAE	
CC1(C)CCC[C@H](NC2(C3CCCC3)CCC2)C1	2033048650	NDMOCSQCFUAGPG-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CCCC[C@@H]1C	2035577475	ZMIYFBWTBMRXEZ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)c1ccccc1C(C)C	2036374177	HTSMQUDLMUMZPR-WMLDXEAASA-N	248.410	4.700	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1CCC12CCC2	2037476730	HOYOSKGYJCXWEK-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
CCCNCC1([C@@H]2CCC3(CCCC3)C2)CCC1	2037704260	QMZDGBYMZGVKJZ-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)CC2CC3(CCC3)C2)C1	2037980501	YVPSEIRCTSLKEZ-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CCC[C@H](C)CC2)cc1	2039374550	LNLKKGCTLFRTMH-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CC2(CC([C@H](N)CCCC3(C)CC3)C2)C1	2039461501	GHFWMLPSZKPIEQ-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NC[C@@]1(CCCC2CC2)CC=CCC1	2042090385	AGDXVSAVYDBXJG-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2(C3CC3)CCCCC2)C1	2042948590	KFLMVHWKFNADLY-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H](C)C1)[C@H]1C=CCCC1	2043185991	AYPIHBDVJBBKSN-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCNCC1(C[C@@H]2CCC=CCCC2)CC(C)C1	2045325349	DQHWFHDQLAFOPP-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@@]1(C)C[C@@H]1C	2045329475	OJSNYPNEFDVUEE-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCCC(C)(C)C2)c(C)c1	2045461239	YTKXTVUELODDNI-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CC=CCC23CCCCC3)C1	2045522871	SLSRHXJQJMMCFR-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CC[C@@H](C)C1)c1ccccc1	2045559790	DSBZBRIIKJKRIZ-QLFBSQMISA-N	244.378	4.576	0	10	BJAE	
C[C@H]1CCC[C@H](C2(N)CC3(CCCCCC3)C2)C1	2046233407	NKSHORIUVZHDIA-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCN(C[C@@H]1C=CCCCC1)c1ccc(C)cc1	2046571024	ONIGTVILOHJKLK-MRXNPFEDSA-N	243.394	4.568	0	10	BJAE	
CCC1CC(C(=O)c2ccccc2CC(C)C)C1	2048622700	AAFSPCXMDTXOKN-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@H]1[C@H]2CCCC[C@H]21	2049642472	VTEAUSFQMGHTNW-LVQVYYBASA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CC2)CC1(C)CCCC1	2049804502	NURLJFJFTQMNEH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCC1(C)CC1)c1ccccc1C	2050461318	TXBFMACYNBMRLF-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1C[C@H]2CC[C@H](C1)C2	2051405447	ONSMATBGVLRFHB-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(C(=O)C2(C3CCC3)CC2)cc1	2051917135	HABVLBUULVYDGD-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
C[C@H](Nc1ccc2ccccc2c1)C1(C)CCC1	2052347206	BMFJHPZSUPBHFS-ZDUSSCGKSA-N	239.362	4.830	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@H]2CCCCC23CC3)C1	2053362348	ZLZZSTPTIMVTAC-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC1CCC([C@]2(CN)CCCCC23CCC3)CC1	2053420366	JVHWNDGDRZOUCA-VMBOVVBDSA-N	249.442	4.502	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@H]1CC[C@H](C)C1	2053921922	HVUWTZSXHZGPBP-GRDNDAEWSA-N	245.410	4.636	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2C[C@@H](C)CC(C)(C)C2)CCC1	2055551765	IVQXGKMTSFMRDJ-DAXOMENPSA-N	249.442	4.680	0	10	BJAE	
CC[C@H](C)c1ccc(NC2CC(C3CC3)C2)cc1	2056687725	QWAVXZJFILXMKN-VWDMACCTSA-N	243.394	4.801	0	10	BJAE	
CCC1CC(CNc2cccc(C3(C)CC3)c2)C1	2056726971	DEROUMPLVVBDRD-UHFFFAOYSA-N	243.394	4.586	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@H](CC)c1ccccc1	2056783158	SJTNBBCNTOAQNT-IAGOWNOFSA-N	245.410	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)C1=CCC(C)(C)CC1	2061114178	WFNAJYSUYKQOQW-DOTOQJQBSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CC[C@]12CCC[C@H]1C2	2061611780	ITMTWSJZKVTYOM-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CC(N)(CC2CC(=C3CCC3)C2)C1	2061701023	GBRSMWVVSHQPIC-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1C[C@@H]([C@@]2(N)CCCCCC23CC3)CC[C@H]1C	2062018729	FUXXKQCWNLAWLQ-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NC[C@H]2C[C@@H]3CCC[C@@H]3C2)cc1C	2063472118	RAFNZFUJAUIPSA-PHZGNYQRSA-N	243.394	4.542	0	10	BJAE	
CCC1(CN2CCC[C@H]2C2CCCCC2)CCC1	2069328304	OBMWPUVUJMQYLT-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC(C)CC1([C@@H](O)c2ccc(C(C)C)cc2)CC1	2069513204	KFUHXJSXPMELSC-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)C1(CC(C)C)CC1	2069517478	MTYQNIPSEHVMAH-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C1(CC2CCC2)CC1	2069564111	NJMDYWVBOMHACN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C1(CC2CCC2)CC1	2069581137	PBKAASRSKGUQES-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)[C@@]12CCCC[C@H]1C2	2070394326	CYBQAAUFXYCVAR-YVSFHVDLSA-N	249.442	4.680	0	10	BJAE	
CC(C)c1ccc([C@H](C)NCC[C@H]2C[C@@H]2C)cc1	2071481560	YCKUUWCOZZCBIA-ZQIUZPCESA-N	245.410	4.507	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CC1(C(C)C)CCC1	2071947315	YVJYSTCZPNAWAB-ARFHVFGLSA-N	249.442	4.523	0	10	BJAE	
CC(C)C1(C[C@](C)(N)C2CC3(CCC3)C2)CCC1	2071950893	RDEBMLCCMIWHER-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC2CC3(CCC(N)CC3)C2)CC1	2072819759	UGIBUMUCXMDYHQ-PMBQJETBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC[C@@]12CCCC[C@H]1C2)C1CCCCCC1	2074044422	YTXQGFGIFLCVAZ-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCNC3(CCCCC3)C2)C1	2074137445	AUCMOZKXTNEQOV-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1[C@@H](O)CC1(CCC)CC1	2074622025	SGRRRZDLQPCGIF-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)[C@H]1C=CCCCCC1	2074808748	GNJNOCUFNVGXQD-DLBZAZTESA-N	249.442	4.776	0	10	BJAE	
CCC1CCC(N2CCC23CCCCCC3)CC1	2074859542	LPDWEGFJEIODBU-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
CCCN(CC1CC2(CC2)C1)C1CCCCCC1	2076553168	SQTAMUUYQLVOMR-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@H]2C2CCC2)C1	2079330408	YHWJPQFNYPXALP-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H]1C[C@@H]1C1CCCCC1	2079432988	XCUDVJVZJVDHBN-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1	2079491073	GSTKHZMNXKVRJV-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CCCC1CC(N[C@@H]2C[C@H]2C2CCCCCC2)C1	2079536936	ONWVPILYQIXYCQ-MHVXSEJMSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C=C1CCC1)C1CCC(C(C)C)CC1	2080258246	ZDJQKJGIEJJSIT-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1NC[C@H]1CCCC[C@@H]1C	2081943957	CNHGRZZBUXSFCK-GXTWGEPZSA-N	249.373	4.626	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCCC[C@H]1CC	2081948042	ZCXRWDVDSQEPQT-DOMZBBRYSA-N	249.373	4.769	0	10	BJAE	
C[C@@H](C=C1CCCNC12CCCC2)CC(C)(C)C	2083810833	PPNFOACGOWPEHZ-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
C1CCCCC(N[C@H]2C[C@H]3CCC[C@H]2C3)CCC1	2086159104	VIDNOJXLARPUBC-ZOBUZTSGSA-N	249.442	4.658	0	10	BJAE	
CCCCC[C@](N)(CC)c1sc(C)cc1C	2210570391	SMQKZIBWVJJSDS-CQSZACIVSA-N	239.428	4.509	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1sc(C)c(C)c1C	2211701809	DRJFNPRQMCNEAT-IUCAKERBSA-N	238.396	4.538	0	10	BJAE	
CCCCCC[C@@H](C)NC1CC(CC2CC2)C1	2213390506	UYKXGDYJQVVGIT-IUDNXUCKSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@@](C)(N)CCCCCCC1CC1	2213571201	FSXVVCDMPNDJTO-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)CCCCCCC1CC1	2213576786	UTSPIMGKYSVHDG-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC1(NCCCCCCC2CC2)CC1	2213583412	RPKLXCMBNRANBM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2CCCCC1CC1	2214580750	MAQPCFRULUNKCJ-AWEZNQCLSA-N	229.367	4.556	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)CC1(C)CC(C)(C)C1	2215397832	GXWABTGAWNWDCJ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1=CC[C@H](NC(CC(C)C)CC(C)C)CC1	2215833062	FFOYEIOHVWNZOR-HNNXBMFYSA-N	237.431	4.536	0	10	BJAE	
CC(C)[C@@H](CCCCCCCC1CC1)[C@H](C)O	2216861667	WLAVQSMFPFVEQQ-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@](C)(CCC(C)(F)F)CN[C@H](C)CC	2217126470	UEDDURDXDMCKBD-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CN[C@@H](C)CC)C(C)C	2217149825	KLJXNVWFMPYOIA-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218356078	JDAWUVCCIUEGTI-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(F)c(NCCCCCCC2CC2)c1	2218717200	ANDNIWYHDSXYFH-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CC1(C)CC12CC(NCCCCCCC1CC1)C2	2218730585	FWYZJEHNMMXVKU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC1CCC(C2CC2)CC1	2218896997	PFVSIZREKJHRRO-MFNRNEDNSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)C(C)(C)C1CCCC1	2221996971	BKWNSBYFEVDVSQ-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CCCCC1(CNC2CCC2)CC2(CCCC2)C1	2223552907	BJEIBBNGKZHEKP-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@@H](C)c1ccc(C)cc1	2223967495	FFGNCIFFSDSWPX-WMLDXEAASA-N	247.426	4.513	0	10	BJAE	
CCC1(C(=O)c2cccc3ccoc23)CCCC1	2224165495	IKNUZIRDMKAOFM-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1ccc2occc2c1	2224188388	PDVOLMVSTSFDHZ-CQSZACIVSA-N	246.350	4.683	0	10	BJAE	
CC(C)C(=O)CCCC[C@H]1CCC[C@@H](C)C1	2242769147	CBNMZIMAKPSCNU-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@](C)(N)CC1CC2(CCCC2)C1	2246816895	DUPNFBPYBBRERO-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC[C@@H](N)C1(C)CCCCC1	2247162295	GMLPXRUMJODUDY-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CCCC[C@@H]1C[C@@H]1C)CNCC	2247162367	BQJWQLCFXJYFJA-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H]1CCC12CCC2	2247433851	PQMBWEIKTWENIZ-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC1=CCCCC1	2247460857	GSZNWXAMQOZHIN-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC(C)=CC[C@@H](N)c1cc(C)c2sccc2c1	2248577660	KWHJDFRGWLRYFH-CQSZACIVSA-N	245.391	4.566	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1C[C@H]1C1CCCC1	2250353649	WTHMSUWYOWDLGS-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@]1(C)CCCC1(F)F	2250361153	KCTCHYFUDCWCLI-DGCLKSJQSA-N	246.341	4.597	0	10	BJAE	
CCN[C@@H]1[C@H](CCC(C)(C)CC)CCC1(C)C	2251722335	SVBFJXMDPORFGN-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCCCN1CC[C@H]1CCCCC12CC2	2253847848	BRJUSXAMMBZHQA-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
Cc1cccc2c1N[C@H](CCCC1CCC1)CC2	2253869795	XTRHOPULWBVXJH-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
CCC[C@](N)(CC1CC2(CCCC2)C1)C1CCC1	2254123801	KDMSGSNZXHELKC-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(NCCCCC[C@H]2C[C@H]2C)cc1F	2257325351	OVNWEDXTRUTQLG-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@H]2CCC2(C)C)c1	2257905633	BLLFPNCAJFRNNG-CQSZACIVSA-N	245.410	4.832	0	10	BJAE	
CC1(CNC2CCC=CCC2)CCCCCCC1	2257936446	CZOGPKYDVWDWMO-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(CNc2cc(C)c(C)c(C)c2)cc1	2258236440	KELXQCGYNCBHOB-UHFFFAOYSA-N	239.362	4.532	0	10	BJAE	
Cc1cc(C=Cc2ccc(Cl)cc2)cs1	2293637538	WUZOVABBDMRKKQ-UHFFFAOYSA-N	234.751	4.880	0	10	BJAE	
CC[C@H](Nc1cc(F)ccc1C(F)F)C(C)C	2300825881	GGVOYAHHKXKJLC-NSHDSACASA-N	245.288	4.610	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@H](CCC)CC(C)C	2300881036	OALLVACRARJHAG-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCC(C)=CC[C@H](N)c1cccc2ccsc12	2300902099	QJUVZBCRUVANHM-AWEZNQCLSA-N	245.391	4.648	0	10	BJAE	
CC[C@](O)(CC=C(C)CCCC(C)C)C(F)F	2300911797	NUVNXCQMKXZDSY-AWEZNQCLSA-N	248.357	4.555	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)CCC1=CCCCC1	2301925296	CPIKZTIZAQRVGE-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CCCCCCc1cccc2c1CC(C)(C)C2	2302230882	MIYIENFHYYKOCJ-UHFFFAOYSA-N	230.395	4.934	0	10	BJAE	
C/C=C/CCCC(=O)c1ccc(C)cc1SC	2303050837	KFRHDXIFAFKOGR-SNAWJCMRSA-N	248.391	4.646	0	10	BJAE	
CC[C@H](C)CN(CC)CC[C@H]1CCC(C)(C)C1	2304439116	GVRGTPJBQLBVON-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCN[C@H](CC)CCCC[C@H]1CCC(C)(C)C1	2304448199	VXTIITVOIBZMGI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)c(C)c(COc2ccsc2C)c1	2307201593	LZWFIGFXYDMQSQ-UHFFFAOYSA-N	246.375	4.561	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1CCCCCCC1	2307843180	KTQGAZPIIYAWIF-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1CCC[C@H]1C(C)C	2307909919	WJFXXKZRIAXEKH-QLFBSQMISA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2308394344	BCGKUMNRLCUXMU-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2310379972	LMOVBPAQPNNUCC-TXCZRRACSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1C[C@@]12CCC[C@@H]1C2	2310891515	QRGQTJYQYISILW-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)[C@H]1CCCCC12CCC2	2311563775	QQTHBHIQQIYMNK-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@@H](N)CC[C@H]1CCCCC12CC2	2312664163	ZKYCBRMXOVNVOY-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313164101	JMNZLVRBCZCCFQ-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@]1(N)CCCC12CCCCC2	2313674030	VWWMFIHERKWMRS-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H](N)[C@@H]1CCCCC12CCC2	2313701939	NGIKRPKJINCXFJ-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC(=CC=C(C)[C@H]1CCCCN1)CCCC(C)C	2316568462	QDMUUNLMUFEUAF-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CCCn1ccc(CC=C(C)CCCC(C)C)n1	2316573236	KPCHSSFCXARWAC-UHFFFAOYSA-N	248.414	4.608	0	10	BJAE	
NCC1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCCCC1	2316880793	LBNIBHLEYOMLPH-HRCADAONSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](CCC1=CCCCC1)NC	2317905375	WMCJUJVBKPYLJW-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCc1occc1[C@@H](O)CCCC1=CCCCC1	2318573748	VXGLVHNBZZONCF-HNNXBMFYSA-N	248.366	4.546	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)C1(C)CC=CC1	2318589602	SGSCKVXUFUVHQH-MRXNPFEDSA-N	247.426	4.601	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@H]1CCC2(CC2)C1	2318878793	OXRGBXLWIZPHDK-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1c(F)cccc1C(=O)C[C@@H]1CCC(C)(C)C1	2319123129	IFZDFCPQKDHJFB-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C[C@H]2C[C@@H]2CC)cc1	2320332227	WGMQIKYDHNVLGF-WRFANHODSA-N	246.394	4.670	0	10	BJAE	
CCCC1CCN(C[C@@H]2CCC(C)=C(C)C2)CC1	2320388115	NBGGWHHMIUHVOU-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CNC[C@]1(CC2CCCCC2)CCC(C)=C(C)C1	2320394776	SDJDZXZNJVMLMH-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC1CC([C@H](C[C@H]2CCC(C)=C(C)C2)NC)C1	2320422065	FNXYXLMFMKWBMY-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)c1cccc(C(C)C)c1	2320515849	HHNJXUFMDHRGHK-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
CCN[C@@H](C=C1CCC1)c1cccc(C(C)C)c1	2320528214	SNEVHFNDAFKJJI-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@@H]2CCC[C@@H]2C)c1	2320578385	QTQNPDOHEUHFTD-JLJPHGGASA-N	246.394	4.670	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=CCCN)C(C)C)cc1	2320726191	IIUQKBWTCZKPBC-CQSZACIVSA-N	245.410	4.588	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)[C@@H]2CCC3(CC3)C2)C1	2321634533	SQBMZKJNZHSTFH-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@@H](C)C2CCC2)c1	2327709338	YLKYEWGQFFNKAV-GUYCJALGSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccnc(C(C)C)c1	2328323412	KXELMVVLTIAQEM-ZDUSSCGKSA-N	247.382	4.604	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1ccc(Cl)cc1	20482215	NFKKGAUYCWQJPJ-SMDDNHRTSA-N	239.790	4.556	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@@H](C)[C@@H]1C	20520116	IQRAYEPKCZTPNH-FXUDXRNXSA-N	239.447	4.760	0	10	BJAE	
CCCCCNc1ccccc1-c1ccccc1	20550550	SLHWEIUZDKHQLH-UHFFFAOYSA-N	239.362	4.956	0	10	BJAE	
CCC(CC)N[C@H](CC)c1cccc(Cl)c1	22146410	CCPVZZNXUHGNGT-CQSZACIVSA-N	239.790	4.569	0	10	BJAE	
CCCCC[C@@H](NCC)c1ccc(C)cc1C	35542646	XKLNEIUYZYRLFV-MRXNPFEDSA-N	233.399	4.534	0	10	BJAE	
CCN[C@@H](c1csc2ccccc12)C(C)(C)C	35554994	GEIICRQIVLMXEB-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CCCC(=O)c1ccc(-c2ccc(F)cc2)s1	36927427	QJYXVDUAVPUCMN-UHFFFAOYSA-N	248.322	4.537	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1	37215840	IOLSWYNNNIHYQO-BFYDXBDKSA-N	243.394	4.766	0	10	BJAE	
CC[C@@H](C)C[C@H]1C[C@H](c2ccccc2)CCC1=O	50426048	FKZZHCXSJRWETD-BMFZPTHFSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H](C)CN[C@@H](C)c1ccc2ccccc2c1	54467256	CTWABUBODYGZRH-KGLIPLIRSA-N	241.378	4.537	0	10	BJAE	
CC[C@H](Nc1c(Cl)cccc1Cl)C(C)C	83847662	QOPIARDWBPTSRR-NSHDSACASA-N	246.181	4.840	0	10	BJAE	
CCC1CCC(C2(N)CCC(CC)CC2)CC1	85078227	NYHKPWKPLLQTID-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](NC)c1cc2cccc([C@H](C)CC)c2o1	88074918	CLQABSFKBOACBU-RISCZKNCSA-N	245.366	4.617	0	10	BJAE	
Cc1cc(C)cc(NCC2CCCCCC2)c1	89556979	HLNHFANSUWRRJX-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CC[C@@H](C)C[C@H](C)Nc1snc2ccccc12	90869243	DFDPQMMCCWRWLY-MNOVXSKESA-N	248.395	4.533	0	10	BJAE	
CCC[C@@H](C)C[C@H](CNCC)c1ccc(C)cc1	93131771	BGLLLNTWHCSGFQ-NVXWUHKLSA-N	247.426	4.514	0	10	BJAE	
CCN[C@H](CCC(CC)CC)c1ccccc1	94678402	LSZRHUJIIHGWOJ-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
CC1(C(=O)c2ccc(C(C)(C)C)cc2)CCCC1	94899001	ZLTVSLIKAGMMQQ-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCCN[C@H]1CC[C@@H](CC)C[C@@H]1C[C@@H](C)CC	109663173	VWXKABNQUKDKAF-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc([C@H](NCC(C)(C)C)C(C)C)cc1	109762669	FKBYJEKVLSUFBP-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
CC1(C)CC[C@H](Nc2ccc(C(C)(C)C)cc2)C1	129200452	OBVWFIKEMZHTCK-HNNXBMFYSA-N	245.410	4.975	0	10	BJAE	
CCCc1cccc([C@@H](N)CCC2CCCC2)c1	131643809	ZHTUCRFTHFLGSP-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
Cc1cscc1N[C@H]1CCCc2sccc21	134327386	RSVKOZREUSILEP-NSHDSACASA-N	249.404	4.608	0	10	BJAE	
CC(C)CC1([C@H](N)CC2CCCC2)CCCC1	162711903	RQIXAJSHUOVWCU-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@@H](Nc2ccc(C)nc2)CC1	164814869	GSLJSAUCDWELRU-LSDHHAIUSA-N	246.398	4.551	0	10	BJAE	
CCCCC[C@H](C)/C=C\c1ccccc1O	209938829	NVNCCSQBEUDTOZ-HHQWOOOKSA-N	218.340	4.622	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@@H]1CC[C@@H](C)[C@@H](C)C1	221374044	CDFNDGLIHJBWCS-RBGFHDKUSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)CNc1c(C)cccc1F	225004808	QHNXZWCMCZLXBF-CYBMUJFWSA-N	237.362	4.762	0	10	BJAE	
Cc1cccc([C@H](O)[C@@H]2CCCCC2(C)C)c1C	226915550	DYPXMKWESONQLR-HOTGVXAUSA-N	246.394	4.553	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC[C@@H](C)C1)C(C)(C)C	227182952	KGZFTQNMWDMEHT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C(=O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2	233268509	LFHYQYICOGYRRA-MZWRDOSVSA-N	248.410	4.598	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2cc(C)cc(C)c2)C1	235400432	GMCBKLDVCKUOMY-BLLLJJGKSA-N	243.394	4.708	0	10	BJAE	
C[C@H]1C[C@H](C2CCCCCC2)c2ccccc2N1	235695758	FQMFHNRNCPCRRW-XJKSGUPXSA-N	243.394	4.945	0	10	BJAE	
CC(C)(C)CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O	250712687	SAFVWWCWUNTJPO-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@H]1CC)c1ccccc1	252963447	WELYTCHFXWTWDY-HYVNUMGLSA-N	245.410	4.696	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@@H](C(C)C)CC[C@H]1C	256167571	LQCPRQMDPSFTCI-FXUDXRNXSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@H]1CCCCC1(C)C	300283353	KMIWSPXWKLQRJZ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCOc1ccc(NC(C(C)C)C(C)C)cc1	302599667	INPOHTMKASQUFB-UHFFFAOYSA-N	249.398	4.568	0	10	BJAE	
CC(C)NC[C@H](C)[C@H](C)CCC1CCCCC1	305938676	LDSOAGZIVSWXHS-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)C)c1c(C)cccc1C	305951593	NCMRTMKXPXZARV-BBRMVZONSA-N	247.426	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)Cc1cccc(C)c1	308109201	LXEMYWSPDVSPBG-MRXNPFEDSA-N	246.394	4.569	0	10	BJAE	
CCCNCC1(CC=C(C)C)CCCCCC1	317233375	VHBKSDMABTWFNC-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1Cc2ccccc21	383204033	ZUAWQWKGJFRPOL-INIZCTEOSA-N	244.378	4.502	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1csc2ccccc12	383389723	JVQUZUTYGODADH-ABAIWWIYSA-N	248.391	4.617	0	10	BJAE	
C/C(=C/CCNCC(C)C)CCC1=CCCCC1	384980584	QTIQACQTOCSXKJ-PXNMLYILSA-N	249.442	4.849	0	10	BJAE	
O[C@H](CCC1=CCCCC1)CC1=CCCCC1	384995952	UPYRNKPOWSDAAE-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)[C@H](N[C@H]1CCC1(C)C)c1ccccc1	385112759	ATUYRGUGBZVIBW-LSDHHAIUSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(OCC2CCC(C)(C)CC2)cc1C	385195662	QSKFAQOTFBBOOH-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
C[C@H]1CCC[C@@H](Cn2ccc3ccc(F)cc32)C1	385279807	KGEGMAQUVDPGLV-QWHCGFSZSA-N	245.341	4.607	0	10	BJAE	
CCC(C)(C)/C=C(\CNC1CC1)C1CCCCC1	394658925	BTNNEGQXZCBNQE-NTCAYCPXSA-N	249.442	4.681	0	10	BJAE	
CSc1ccc2sc(F)cc2c1C(F)F	396233665	FDRNWZPUGQAMDL-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC(C)(C)c1ccccc1[C@H](O)CCC1CCC1	398567193	GTVIFRWNBHFTKO-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CCC(C)(C)CCNC1C(C)(C)CCC1(C)C	686307159	VHTPXBMCLNBCMT-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCNc1nccc2ccsc12	686313052	XJQRZKNQVPFEFW-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@@H]1CCCCC[C@H]1C	691143287	YLVDEHMULLJHFK-BFYDXBDKSA-N	245.410	4.614	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C1CC2(CCC2)C1	691919423	LCVOSGFLNZSFNC-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CCC12CCCCC2	693854122	NENRKFURRGJROB-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)CCC(C)(C)C	695100993	UGGXUVIJZQUKJF-QWHCGFSZSA-N	227.436	4.616	0	10	BJAE	
CC(C)C[C@@H](C)CN[C@H]1CCCC(C)(C)CC1	697577945	BBPIJQHXAPJNSD-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](c1cc(C)cs1)C(C)(CC)CC	701191071	ODADZYIYPBWAOV-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@H]1CCCC[C@H]1C	704851478	MESSTEKKAJYJAJ-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)(C)C)CC1(C)CC1	709089338	NLMZHROGQMMKFZ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C)c1OC[C@H](C)CC(C)(C)C	709110989	MUAPHFMMDDCSBW-GFCCVEGCSA-N	234.383	4.755	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@@H](C)C(C)(C)C	709117317	INZOOTFMJJVCMN-NWDGAFQWSA-N	226.404	4.700	0	10	BJAE	
CC[C@@H](C[C@@H](O)c1cccc(C)c1C)C(C)(C)C	711087324	OIQJZIZEPRIGBC-GOEBONIOSA-N	248.410	4.799	0	10	BJAE	
CC[C@H](C[C@H](N)[C@H]1CCC[C@H](C)C1)C(C)(C)C	711109383	CVAPWMVWICRVOX-XQLPTFJDSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(=O)C(C)(C)c1ccccc1)C(C)(C)C	711252746	YRPWNZYOUCBINE-CYBMUJFWSA-N	246.394	4.606	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CC(C)(C)CC	713217138	JTWFLULTQSDVDM-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@@H]1c2ccccc2[C@H](C(C)C)[C@H]1CC	714354499	AVKBBZSIFOLRPD-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CC[C@@](O)(CCCC(F)F)CC1CCCCC1	720986375	DLBDNYDFBVUNAA-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@@H](C)C1CCCCC1	721679081	OWNKGLBIXXDNOQ-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCc1ccc(C)c(C)c1	1560479104	WLQXDQTVLLYAMS-MRXNPFEDSA-N	245.410	4.528	0	10	BJAE	
Cc1sccc1-c1ccccc1C1(C)CC1	1901895397	BVPZHWWSJBZFIA-UHFFFAOYSA-N	228.360	4.775	0	10	BJAE	
Cc1cc(-c2cccc(CC3CC3)c2)cs1	1901902871	ZUJNTWXTTQVDQB-UHFFFAOYSA-N	228.360	4.676	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@H](C)CC(C)(C)C	1905318987	GZJDNAOJTXLBPW-ZIAGYGMSSA-N	227.436	4.569	0	10	BJAE	
C=CC=CCCC[C@@H]1CC2CCC1CC2	1911779279	YIUREMUUMWUIEE-YMAMQOFZSA-N	204.357	4.725	0	10	BJAE	
CCCC[C@](N)(CC)c1ccc(C(C)C)cc1	1920139298	OSTYNEVQXHAUDV-MRXNPFEDSA-N	233.399	4.564	0	10	BJAE	
C1=C[C@H](Cc2cnc3ccccc3c2)CCCC1	1925830623	RRZMUXYWLGHTEL-AWEZNQCLSA-N	237.346	4.524	0	10	BJAE	
CCC(CC)CC(=O)Cc1ccc(C(C)C)cc1	1926146571	XGOFWGRYGRATHB-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CC(CC)CC)NCC	1926377554	GRPTWVKOKWNDNL-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CCc1ccsc1C(=O)[C@@H](C)CCC(C)C	1937169901	SNYDXPREXBCAFE-NSHDSACASA-N	238.396	4.566	0	10	BJAE	
CCC[C@H](C)NC1CCCCCCCCC1	1938722997	TXJHNMYVYWDPTB-AWEZNQCLSA-N	225.420	4.658	0	10	BJAE	
CC[C@@H](C[C@H](N)c1cscc1C)C(C)(C)C	1938828633	YAIMCLVFFLTPTM-AAEUAGOBSA-N	239.428	4.519	0	10	BJAE	
C[C@H](CCC1(C)CCCCC1)CNC(C)(C)C	1940405165	APAZQECDIISZEA-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@](C)(O)CC1CCCC1	1940881344	DTDJZYVIUOPRMB-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)CCCC(C)(C)C	1941266962	LYDKOSCQALFMND-HUUCEWRRSA-N	241.463	4.848	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(CCCC2CCC2)C1	1941470544	RPKKQPTWEZYFDK-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](CNCC(C)C)C1CCC1	1942096342	AJSOEYIYPUJNRV-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C(C)(C)C(C)C	1944660051	FCDFRUVYHXYAFU-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H]1CCC[C@@H]1C	1944797317	NTTBCIXRNKQBNS-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1CCC[C@@H]1C)NC	1944819766	MGIQXXMTGFGJPC-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CSc1cccc(N[C@@H]2CCC[C@H]2C(C)C)c1	1947463295	DSABBIFJFKAQOE-LSDHHAIUSA-N	249.423	4.645	0	10	BJAE	
C1=C[C@@H](Cc2ccccc2C2CCC2)CCC1	1947551370	FFEPWKDEBPRWIT-CQSZACIVSA-N	226.363	4.853	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@H]1CC12CCCC2	1948139782	RXULBXVLUPDSGY-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC)CCCC(C)(C)C1CC1	1948848702	OTTWHLDRTZWAAS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](N)(CCC1=CCCCC1)C1CCC1	1949047854	ZZVIXFVXQNHBKP-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@H]1CCC(C)(C)C1	1949432147	ILCDMQFNJXWUHJ-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CC1CC(C)(C)C1	1949733471	KJWZZHKQBFHAKK-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2CC(C)(C)C2)CC1	1950929327	GITVMWCYOLXCJV-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCCc1csc(C(F)F)c1	1956172460	ACPGJZHRAFQTKO-UHFFFAOYSA-N	216.296	4.585	0	10	BJAE	
CC(C)c1nc([C@H]2CCC[C@@H](C)C2)cs1	1961018394	JLGSOQVOCCWQJE-MNOVXSKESA-N	223.385	4.560	0	10	BJAE	
CC1(c2ccc(NC[C@H]3CC=CCC3)cc2)CC1	1966026962	DGYPNLQLCGFXHD-AWEZNQCLSA-N	241.378	4.506	0	10	BJAE	
CC1(C)CC[C@H](NC2C[C@H]3CCCCC[C@@H]3C2)C1	1967876862	ONSFACOXTBOMCC-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(NCC2C[C@@H](C)C[C@H](C)C2)c1	1968307158	FFHSNAUOYIXWDT-STQMWFEESA-N	245.410	4.788	0	10	BJAE	
CCC1CCC(N[C@@H]2CCCC3(CCC3)C2)CC1	1968665532	MXSYTIJDVJGMMB-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)CCNc1ccccc1OC(C)C	1968667114	KVCIZYUBPRDKCR-UHFFFAOYSA-N	249.398	4.712	0	10	BJAE	
CCCC(CCC)N[C@H]1CCc2c(C)cccc21	1969351923	YQFZBHJAHDFCSH-KRWDZBQOSA-N	245.410	4.541	0	10	BJAE	
CCCCC[C@](C)(N)C1CCC(C)(C)CC1	1975998953	SFGOFHWLTCZFGU-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@@H]1CCCCCCC[C@@H]1O	1980351179	MAEOLRKMTXMMOF-CABCVRRESA-N	226.404	4.678	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)CC1(C)CCCC1	1980380045	HZJKZRXJPXMHPU-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
C/C=C/CCC[C@H]1C[C@@H](CCC)CCC1=O	1984589154	MNPHJVUOTFSIGC-RDJPRVRMSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)C(C)(C)CC	1989855207	KSCPWZJHKGLJMC-HIFRSBDPSA-N	227.436	4.747	0	10	BJAE	
Cc1cc(C(=O)C(C)(C)C(C)(C)C)sc1C	1989973035	KDVAKEDVXMLZHF-UHFFFAOYSA-N	238.396	4.620	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC(C)=C(C)C	1990124562	AAMBCTGZTJYIBQ-OAHLLOKOSA-N	225.420	4.633	0	10	BJAE	
CCCC[C@H](C)Nc1ccccc1C1CC1	1992087863	KKDFZHZCDZZSCE-LBPRGKRZSA-N	217.356	4.555	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@@H]1C=CCCC1)NCC	1996603680	WGAKXTSVFSXMHM-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)C(=O)CC(C)(C)C(F)(F)CC	1996609752	ABZUJRXBTVURBI-UHFFFAOYSA-N	248.357	4.843	0	10	BJAE	
CCC[C@H](CC)NC[C@@H]1CCC[C@@H](CC)CC1	1997099797	ILPVIFSCIGULGG-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCC[C@H](CC)CC1	1997114608	FDCCJJWCJVHEJD-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
O[C@H](CCC1CCC1)c1cccc2sccc12	1998035744	AGZIMROPRHEEHR-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CCCC1(C(=O)CC2CCC=CCC2)CCC1	2000195288	PXLGFXZEVDELRW-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCCC1(C(=O)[C@@H]2CCC[C@@H](CC)C2)CCC1	2000195410	RURWUGSUNHKRAG-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@H](C)C1(N)CCC2(CCCCC2)CC1	2000283825	DCKVLCMOBQEDCC-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(CC)C(=O)OCC	2000641278	COYQSWZGEIUPOY-DZGCQCFKSA-N	242.403	4.572	0	10	BJAE	
CN[C@@H]1CCCCCC[C@H]1CCC1CCCC1	2003097540	GSMNJTZLJUATRS-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2CCCCCCC2=O)C1	2003115752	DACANWJUTKBYEG-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C=CCCC1)c1cccs1	2003683826	AXFUDKQYBIFVPU-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H](CC)C(C)(C)C	2004227195	RGMGLBGPXBBYAV-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](O)C[C@H](CC)C1	2006634476	GSHDZVGPZTYKAZ-XUWVNRHRSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)c1sccc1C	2007946925	PYDQQSAYTNACPY-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
CC1(CCC(=O)C(C)(C)C2CCCCC2)CC1	2009610944	JCLSDYUIQLRMEG-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CCCCC[C@@H]2CC	2009769388	LONJEAFXSNDKDW-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@](C)(O)C1=CC[C@@H](C(C)(C)C)CC1	2010721633	LYRRFHHZMNARNI-CJNGLKHVSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CC[C@H]1CC12CCC2)NCCC	2015511666	FUMYFKYRKYOWSK-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCCC2(C)C)CCC1	2015589441	UQTVYXJRQCUKFW-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC1(C[C@@]2(O)C[C@@H](C)CC(C)(C)C2)CCC1	2015596916	XFTDTDWNQWYGMV-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC=CCCC2)CCC1	2015649285	YBFICSMXMSWIOS-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)(CC(F)F)C(=O)CCC1CCCCC1	2016019458	RPGXIPNUXALSPF-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1(C(C)(F)F)CCC1	2016739490	ZTOPTZUAUDRHGJ-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@@H]2C2CC2)c(C)cc1Cl	2017044823	UIAAIZONNKFPGV-OCCSQVGLSA-N	249.785	4.557	0	10	BJAE	
CC(C)(C)C1(C[C@@](C)(O)C2CCCC2)CCC1	2017114094	IHYIUHKVNZNUGY-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(F)CNc1ccc(C(C)(C)C)cc1	2017463583	LFPNKOMBBXVLEN-UHFFFAOYSA-N	235.346	4.659	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)[C@@H](C)[C@H](C)CC)CC1	2017657391	FBRZTHHWDCADQY-YIDVYQOGSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(C=C(CN)C(C)(C)C)CC1	2017738864	PPQXHDCQFSJNBJ-UHFFFAOYSA-N	237.431	4.524	0	10	BJAE	
CCC1CCC(CC(=O)C(C)(C)C(C)C)CC1	2017776266	MRIYWDOESFGADH-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@H](CC)NCCCCCC1CC1	2018083561	PHTDYXGCZAJDTM-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCCC[C@](O)(CC)C1[C@@H]2CCCCC[C@@H]12	2018136513	MANKSKPYJHGXEF-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H]1CC12CCCC2	2018137859	ZMRGAMSXRBTGGD-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCC1CCC([C@@](C)(N)CC2(CC)CC2)CC1	2018910523	MUGUUQNVHXMKMR-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H]1CCCC(C)(C)[C@H]1NCC	2020360423	GAZRYBUCVVNUNC-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CCCC(C)(C)C2=O)C1	2020394912	YCCYQBMOXNNUON-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)Nc1ccccc1C1CC1	2021025749	BBXSHWCIQXXEHW-AWEZNQCLSA-N	231.383	4.945	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1C[C@@H]1C1CCC1	2022325586	OSMATCOMOZFFEC-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccc2[nH]c(C3(C)CCC3)cc2c1	2024288583	BTZZGTZXHZUTSX-UHFFFAOYSA-N	227.351	4.733	0	10	BJAE	
CN[C@@H](C[C@H]1CC1(C)C)c1ccccc1C(C)C	2027517318	FZOYFOXXZZTUSY-BBRMVZONSA-N	245.410	4.507	0	10	BJAE	
CC(C)(CN[C@H]1C=CCCCCC1)C1CCCC1	2027708173	HXOOEBQMAXUGHU-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(N[C@H]2[C@@H](C)[C@@H](C)CC[C@H]2C)c(C)c1	2027794803	ZTHJBAUQLJMRMV-UICACZKSSA-N	245.410	4.786	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](NC)c1cccc(C(C)C)c1	2028254133	DENIWLGYPPGOQJ-SJORKVTESA-N	247.426	4.753	0	10	BJAE	
CCc1cccc([C@H](N)[C@H](CC(C)C)C(C)C)c1	2028256291	YAPFZFPVXAOZAD-SJORKVTESA-N	247.426	4.567	0	10	BJAE	
CC1(CNCC2(C3CCCCC3)CC2)CCCC1	2029735697	FVZQUZDJVKEZLS-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(CCCC(=O)[C@]23CCCC[C@H]2CCC3)CC1	2031847316	KPFIYXSYENSBFZ-YOEHRIQHSA-N	248.410	4.886	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1[C@H]2CCCC[C@H]21	2032775652	GSZYNCGWBWZFRE-FVQHAEBGSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H](C)[C@H]2C(C)C)c1C	2035409533	MKLFXHFIMHNEQE-IAOVAPTHSA-N	245.410	4.786	0	10	BJAE	
OC1(C[C@H]2C=CCCC2)CCC2(CCCC2)CC1	2035596550	CQHBRIGFUQKTKP-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc([C@@H](N)C2(C)CCCCCC2)c1	2037069224	BQQYBOQTDYNROJ-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CCCCCC[C@@H](N)[C@@H](c1ccccc1)C(C)C	2037093792	RQXUZCHNCFJSNW-IAGOWNOFSA-N	247.426	4.724	0	10	BJAE	
CC(C)[C@@H](c1ccccc1)[C@H](N)CCC(C)(C)C	2037099496	UMWXQSDLMVWTRD-CVEARBPZSA-N	247.426	4.580	0	10	BJAE	
CC(C)=C(C)CCC1(N)C[C@@H]2CCCCC[C@H]2C1	2037170526	NHUJUUVOXODBCE-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CC1[C@H]2CCCC[C@H]12)C1CCCCCCC1	2037185112	BWYKJNPCMLTIAW-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2[nH]c(CCC3CCCC3)nc21	2038006593	GFHHSJQYYBJQGT-VXGBXAGGSA-N	246.398	4.533	0	10	BJAE	
CC[C@H](CC1CC1)NC[C@]12CCCC[C@H]1CCC2	2038362321	FOKGWQYPWPXURW-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2CC3(C2)CC(C)(C)C3)CC1	2039459831	HXLBDRHGVMCMCP-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
C[C@H](Nc1ccccc1F)C1CCC(C)(C)CC1	2040637504	BWAGAMCYFUDCAL-LBPRGKRZSA-N	249.373	4.843	0	10	BJAE	
CCCC(C)(C)[C@H](N)Cc1ccc(C(C)C)cc1	2040723566	LMAAALLEZCNMNB-MRXNPFEDSA-N	247.426	4.506	0	10	BJAE	
CCN[C@H](C1=CCCC1)[C@@H]1CCC[C@@H](CC)CC1	2041380780	VIZISEXCMMUCTF-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H]1CC=CCC1	2042016108	GTHXSJOFPRRTPK-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@]1(C)CC=CCC1	2042022834	WBCVQTNFVCEMCG-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@H]1C=CCCC1	2043190118	GXPUBALNOHDSRA-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1CCC(CNC[C@@H]2CCC=CCCC2)CC1	2045332723	RGLWZTTVXUWEQM-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)[C@H]2CCCC23CCC3)C1	2045392159	SEZMJKCVLDTVHQ-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(OC[C@@H]2CC23CCCCC3)c1	2047054580	FJZLGHCWCGWGES-HNNXBMFYSA-N	244.378	4.598	0	10	BJAE	
CC(C)(C)NC[C@]1(C2CCCC2)CCC12CCC2	2047943328	QIGHAKLAPKQLLM-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@H]1CCCC2(CC2)C1)C1CCC1	2049855536	JUWRFNDIJYWUPQ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)C[C@@H]1CCCC2(CC2)C1	2049866588	PSSXNPRCZOGTPH-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@H]2CC[C@@H]21	2052287267	WMRJAAJNIZJQSO-HRCADAONSA-N	243.394	4.548	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C=CCCC2)CCCCCCC1	2052481400	YGBYEESVCLOOSI-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](N[C@H](C)[C@H](C)CC(C)C)c1ccccc1	2053266906	QEGMRLABDSZBFQ-BFYDXBDKSA-N	247.426	4.798	0	10	BJAE	
CCNC[C@@]1(CC2CC=CC2)CCCCC1(C)C	2053385893	CYSUAWFHUZULTG-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](N[C@H]1C=C(C)CCC1)c1ccc(C)cc1	2055552904	UFDNERJIRMHLMB-SJORKVTESA-N	243.394	4.535	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@@H]2CCCC3(CC3)C2)CCC1	2055606797	FYTGBNRAHJKWKZ-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
C[C@H](CC1CC(C2CCC2)C1)c1cccc(N)c1	2056647287	ZVIRSBYDJDNFCG-VEAWUBTESA-N	243.394	4.589	0	10	BJAE	
C[C@H]1CCCCCCN1C[C@@H]1CC12CCCCC2	2057103871	URONVKNYKIZMGR-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC=CCCC[C@]1(CNC(C)C)CCC12CCC2	2059253518	REZHGZNBIRPPKN-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C1=CCC(C)(C)CC1	2061089016	QDXPOJPROFTURQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC([C@@H](N)CC[C@@]23CCC[C@H]2C3)CC1	2061600558	BDHAZDNXAJYALT-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CC[C@@]12CCC[C@@H]1C2	2061615861	XVUQYDCBIZSUBC-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063517438	UEUOBWLEHHNFIN-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@](N)(CC23CCC(CC2)CC3)C1	2065337661	BTENLUJMLGGMLM-AKNDPVLGSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2CC23CCC3)CCCC1	2069168583	RGHCUJJXIKREJY-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@](C)(N)C[C@H]2CC23CCC3)CC1	2069176192	DXEITZMYNNOMJS-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccc(OC[C@@H]2CC23CCC3)cc1	2069183093	QKPZPDPIBJHPLX-AWEZNQCLSA-N	244.378	4.553	0	10	BJAE	
CCCN[C@H](CC1(CCC)CCC1)c1ccoc1	2069345356	UCEUFIGFQBCUBZ-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2(CC3CCC3)CC2)C1	2069561883	NGAVXIXFPLXABH-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCC1(CC2CCC2)CC1	2069582071	XZSILEWZNFNXBF-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CCC[C@H]3C[C@@H]32)CC1	2072805925	HCOKKUNRERNHPX-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@]1(C[C@]23CCCC[C@@H]2C3)CCCCCN1	2074029740	PGZJBGQPROLLQL-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CN(C)c2ccccc2C)CC1	2075332229	OLKMBOOSUGOEOV-WKILWMFISA-N	245.410	4.648	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2CCC3(CC3)C2)cc1	2078345773	FZDOBCBVSGUOTK-CZUORRHYSA-N	243.394	4.945	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@H]1C[C@H]1C(C)C	2079429630	YDKOJHLOJSULQQ-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@H]1C[C@@H]1CCC	2079441201	WAUMSZVLSCOAQW-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2079482887	FGYBSYJEJNYVCR-HZPDHXFCSA-N	246.394	4.684	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC1C2(CCC2)C12CCC2	2083571931	RRQJENLNODKEBR-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](O)C[C@H](C)CCCCCCCC1CC1	2212446941	VBHUZBAXACHZKY-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C(=O)CCCCCCC1CC1	2213578404	LWCSBDDBJVXVBC-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
Cc1csc([C@H](N)CCC2=CCCCC2)c1C	2213636221	KSNONZFPHBZIGB-CQSZACIVSA-N	249.423	4.645	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)CCCCC1CC1	2214576882	AHHQRSCYXVQDKA-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@]1(CCCCC2CC2)CCCCCN1	2214584855	RUAOBSUCHZDKRL-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
N[C@@H](CCCC1CCCCC1)C1CCCCC1	2214768386	SHCJXDNCHMCKNG-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C[C@H]1CC[C@@H]1C	2214978526	GWDVAEMOBMJJDT-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)C[C@H](C)CC(C)C	2217154333	STYWONQDKLLJEH-OAGGEKHMSA-N	241.463	4.863	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)CC12CCCCC2	2218718493	OFJININUWFYNTI-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1CCCC12CC2	2218722528	BMTBWMBIZMWRCF-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C/C=C/c1ccccc1	2219047915	NCMBWNSIZJWTLL-QTVNVXQXSA-N	246.394	4.523	0	10	BJAE	
C[C@H]1C[C@H](CC/C=C/c2ccccc2)C[C@@H](C)O1	2219074503	SBDBRWPXUBUSEM-UXTIBBFQSA-N	244.378	4.684	0	10	BJAE	
CCCCCC[C@H](C/C=C/c1ccccc1)NC	2219087106	HVRPABLUVAXBRS-JIIJFUIFSA-N	245.410	4.648	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C1(C)CC2(CCC2)C1	2221006107	JXEFCQACYRMZRK-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](CC2(C)CC3(CCC3)C2)N1	2221029692	BFLBXMRQZWKMGH-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C(=O)CC1(C)CC2(CCC2)C1)C1CCCC1	2221085123	AZIAZVATUKLMLI-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@]1(CNC2CCC2)CCC=CCCC1	2223572814	NNNIIMKFNWIKFZ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@H](C)[C@]1(CNC2CCC2)CC12CCCCC2	2223597764	RLWYGPZTFPKNBR-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(C(=O)CC(C)(C)C)s1	2242605276	UDMPKNIMTPFBOY-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C[C@H]1CCCCC12CC2	2246614151	IHIVWXNPEYOTRO-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CCC1(C)C)CC(C)(C)C	2247401873	XKBWCFFSRIRATB-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@@H]1CC[C@@H](N)CC1CCCCC1	2247430923	HDPTVNXCZARCKH-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CC[C@H]1CCCC12CC2)C(C)(C)C	2247617221	QZPNKLNFNWEQQG-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@H]1CC[C@H](CC)CC1	2250357444	IFXCVCXXTUBUBC-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCCC(F)F)[C@@H](CC)CCC	2250372480	PNLAUFDUCOCWOM-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](CC)CN[C@H](C)[C@@H]1CCC[C@@H](C)C1	2250384143	ALIHMHIKUYQYDA-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)CC(C)(C)F	2250516814	LMVZWDUMGWTMFM-ZIAGYGMSSA-N	245.426	4.695	0	10	BJAE	
CCC1CC([C@H](N)CC[C@H]2CCCCC23CC3)C1	2253785231	SLISVAOEDUBMGO-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNC1CC2(CCCCC2)C1	2254544917	RODYWQOANSHBOT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@H]1CCC12CCC2	2254956320	AFKRCJOGELIBFF-HUUCEWRRSA-N	248.410	4.886	0	10	BJAE	
C1CCCC(CNCC[C@@H]2CCCC23CC3)CC1	2255222163	JCCDAUVYJSGONG-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1C[C@H]2C[C@H]1C[C@@H]2N	2259614731	OPWDQKOKOUIEHL-HJWJTTGWSA-N	249.442	4.523	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@]12CCCC[C@H]1CC2	2260508504	PJTQEFRAVOAVJG-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@@]12CCCC[C@H]1CC2	2260509682	XCSLFRAQJMBYGA-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CCC[C@H]1C(C)C	2300684125	QQHJJTLUDBWWDI-JYJNAYRXSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CCC[C@@H](C)[C@@H]1C	2300688066	JQKWMHDLRQJRBU-IJEWVQPXSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CCC(CC)CC)CNC1CCC1	2300688640	PAGJKXHVIWFBSR-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)=CC[C@H](N)C1(C)CCC(C)(C)CC1	2300896260	GXSFMFUCEMTWFT-AWEZNQCLSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CC[C@@]1(N)CC=C(C)CCCC(C)C	2300898153	ATZWTMIFJUKRRQ-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCCCN(CC1CCCCCC1)[C@@H](C)CC	2301139914	KCBBISAJGWVWLB-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)CCC1=CCCCC1	2301929341	UXCBNJSZTBVZFR-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCC1(CC)CCCN([C@@H](C)[C@@H](C)C(C)C)C1	2301966620	DBSLMHDJLFUDFA-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CC[C@H]1C(C)(C)C	2303398577	MPENOESJNHTKNN-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC(=O)CCC1CCC1	2303476459	RTSMQBDSQHLRKD-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
CCCN(C[C@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303510924	LADSYRXSISZWRC-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC[C@H]1CCC(C)(C)C1	2304352257	PSILCKFWPHGMRO-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CC1(O)CCC(C)(CC)CC1	2307841307	GHHJMLPSLSXQFQ-FHERZECASA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(O)CCCC12CCCC2	2307879129	QHWPFUUEOMRRRR-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H](CC(C)C)C(C)C	2307906881	AAJQVDIGXNGCLA-XHSDSOJGSA-N	242.447	4.882	0	10	BJAE	
CCCN[C@@H](CCCC[C@@H]1C[C@@H]1C)c1ccco1	2310434395	OHSLBFZKZCHSGI-ZNMIVQPWSA-N	249.398	4.537	0	10	BJAE	
CC[C@H](C(=O)[C@@H](C)CC1CCC1)c1ccccc1	2313652487	XFTWTGVSWQCEQU-BBRMVZONSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1cc(C(C)C)ccc1C	2315875366	WUYSVUJJKBUDLW-ZBFHGGJFSA-N	245.410	4.967	0	10	BJAE	
CC(=CCN[C@@H]1[C@H]2CCCC[C@H]21)CCCC(C)C	2316492497	TXOLWUZWKJETMK-FVQHAEBGSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CCc1c(C)ccc(C(C)(C)C)c1O	2316533100	VWTDCIUAKRQQGM-UHFFFAOYSA-N	246.394	4.897	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@@H]2CC[C@H]21)CCCC(C)C	2316537385	QQOBGCHYQPETMV-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@H]1[C@H]2CCCCC[C@H]21	2318883019	PJAXDRHDCCUZHT-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(N)C[C@@H]3CCCC[C@@H]3C2)C1	2319030060	MBUCQKAFJSTZRT-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@H]2C[C@@H]21)C1CCCCCC1	2319339509	HHFVCVBQPOPHFW-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCC1CCCC1)CC[C@@H]1CC[C@H]1C1CC1	2319726825	MMLMWWLLVTYDBN-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
C(CCC[C@@H]1CN[C@@H]2CCC[C@@H]2C1)CCC1CC1	2319909235	SJTQNGUBPZBWCM-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc([C@H](N)CCCC2(C)CC2)c1	2320521439	QFJXNYGVBGCKJK-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
C[C@@H](CC[C@H]1CCC(C)(C)C1)c1cccc(N)c1	2321633753	LPUUJHJCZJQMOF-KBPBESRZSA-N	245.410	4.979	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1cc(C)ccc1C(C)C	2327681104	IXAFBDDZLQTVBG-KBPBESRZSA-N	244.378	4.737	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C(C)(C)c1ccccc1	2328281053	FGCAWLKBYQJWMK-GDBMZVCRSA-N	247.426	4.508	0	10	BJAE	
CCC[C@H](C)CNc1ccc(C(F)(F)F)cc1	20553541	KOIQVPYTVIBSTO-JTQLQIEISA-N	245.288	4.554	0	10	BJAE	
CSc1ccccc1NC1CCCCCCC1	36957212	FYKCEDWVTJACTB-UHFFFAOYSA-N	249.423	4.933	0	10	BJAE	
CC(C)CC[C@@H]1CCCC[C@@]1(O)c1ccccc1	62722910	LLPLCMCXEWXFPO-DLBZAZTESA-N	246.394	4.501	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)c1cc2ccccc2o1	62797807	QUYBJPCKZITKOK-ZDUSSCGKSA-N	245.366	4.520	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H](C)c1cc(C)ccc1C	70106486	RKXVNEIZNLBNHS-ZBFHGGJFSA-N	245.410	4.533	0	10	BJAE	
CC1(C)CCC(Nc2cccc3cc[nH]c23)CC1	75177494	DCTWCJWDLAGMHJ-UHFFFAOYSA-N	242.366	4.549	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccc3ccccc3c2)C1	80431882	HZUXCPVAGBKVPY-XJKSGUPXSA-N	239.362	4.830	0	10	BJAE	
Cc1ccc(-c2cccc(C=O)c2)c2ccccc12	83770707	BKLGSNOQUGIKPI-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@@H]1CCC[C@H](C)C1	84417676	CCAWDWGGIWRUML-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@H](C)CC[C@@H]2C)c1C	85085466	GUGMFXKLUCCGSW-PVXIVEMSSA-N	231.383	4.540	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Nc1ccc(C(C)(C)C)cc1	86669663	NWVVVQHFLBYHFL-DOMZBBRYSA-N	231.383	4.585	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(c2ccc(C)cc2)CC1	86939962	AOYQTIZZLBXYGX-RDJZCZTQSA-N	245.410	4.529	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)c1cscc1C	87288876	GQDAZBYTWJNUPD-BXUZGUMPSA-N	239.428	4.533	0	10	BJAE	
Cc1cc(C)cc(O[C@@H]2CC[C@H](C)[C@H](C)C2)c1	87439676	GMPAIFPVJFLLCZ-RRFJBIMHSA-N	232.367	4.507	0	10	BJAE	
CCCNC[C@@H](C[C@@H](C)CCC)c1ccccc1	88098169	UCLCPMHIFDVCEU-DOTOQJQBSA-N	247.426	4.596	0	10	BJAE	
CCC[C@H](CNCC(C)C)CC1CCCCC1	104007354	OIRSHSOCNCSAQT-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)C(C)(C)CC)cc1	104046175	RVIQTDWHWZYVSZ-DOMZBBRYSA-N	234.383	4.670	0	10	BJAE	
CCCC[C@H](CC)C[C@@](N)(CC)c1ccccc1	109706336	VOGJALQQJBFLTN-RDJZCZTQSA-N	247.426	4.857	0	10	BJAE	
C[C@H](Nc1ccc(C(C)(C)C)cc1)C1CCCC1	109751735	SBTSZXPMOAZOCG-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)C1CCCC1	109899508	GLFCSZDPXDIOFM-ZDUSSCGKSA-N	231.383	4.548	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(OC)cc1C	109958348	UEUMYVGBYXMDET-GXTWGEPZSA-N	249.398	4.630	0	10	BJAE	
CCCN[C@@H](CC1CC1)c1ccc(C(C)C)cc1	110218960	XCDCKZQYKNBBOC-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CC1CCCCC1	124545372	BEEUQUUZGOLQHJ-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1cc(C)c(C)cc1C	125368876	FOCZUXDOJUBBLB-QGZVFWFLSA-N	248.410	4.862	0	10	BJAE	
C[C@H]1CCC[C@H](NC2CCC3(CCCC3)CC2)C1	129251792	CMEKCXPHMVZZLG-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)c1csc(C)c1	129419807	WARKVNCHUUTYQR-TZMCWYRMSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1cccc(C)c1C	163452970	RFMOSDOPSPJCDH-GOEBONIOSA-N	233.399	4.520	0	10	BJAE	
C[C@@H]1CC(C(=O)CCC2CCCC2)C[C@@H](C)C1	166025698	XGPIVQHGNNXGNX-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCc1cccc(N[C@H]2CCCC[C@H]2C(C)C)c1	214447267	UHVQZHPTSCJCDW-IRXDYDNUSA-N	245.410	4.876	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)c1ccc(C2CCC2)cc1	226799491	ZXKKCBPLHWPNTD-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)(C)C)C(CC)CC	228692526	MAQPDAQQNIRWAR-HIFRSBDPSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCC[C@H](C)c1ccccc1	251951904	UORABNOTPOGQJL-HRCADAONSA-N	247.426	4.595	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCCC[C@H]2C)CC1	252217672	YDYDOGFSBRJUGL-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CCC2CCCCC2)[C@@H]1C	302238448	BYHZHXHQFYYDSS-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](N[C@H](CCC)C1CC1)c1ccccc1	302445198	BRDJSXUFLFIYKP-IAGOWNOFSA-N	245.410	4.696	0	10	BJAE	
Clc1cccc(CC2=CCCC2)c1Cl	307010430	JQQJFUNFNWHSCH-UHFFFAOYSA-N	227.134	4.646	0	10	BJAE	
CSc1c(Cl)sc2cc(Cl)ccc12	307731996	OMYNCYLUCLTPPV-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCCC(C)(C)C	308049178	JPZZJYQDZOUNSF-HUUCEWRRSA-N	241.463	4.993	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1cc(C)cc(C)c1	308053300	IXVCGPJFJXSKMI-CQSZACIVSA-N	232.367	4.558	0	10	BJAE	
CCN[C@@H](CCC1CCC(C)CC1)CC(C)C	310419109	NRMZSCRFBMZVGQ-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(N[C@@H](c1ccccc1)C(C)C)C(C)C	310666524	GIEYTIIQGQTEGB-QGZVFWFLSA-N	247.426	4.654	0	10	BJAE	
CCCC1CCC(CCC(C)C)(CNC)CC1	316841003	GCMCVXOZKJJRIN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(CNC2CC2)CCCC1	318035431	LCGLWFZDCSUNAG-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@@H](C)CC)C1(CCC)CC1	320166025	YIVNFFJHHRHJPJ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](c1cc(C)cs1)C(CC)CC	379088487	ZYXQXIORSWWZKY-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CC1(C)CC(NCC2=CCCCC2)CC(C)(C)C1	379576552	AFIMQZQVFLQDHF-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)[C@H](C)C1CC1	379606322	JSZAYOLPTYAVNM-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC1(NCC(C(C)C)C(C)C)CCCC1	382308944	RMVIQEVPVOZOJE-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)CCCCCC(C)C)s1	383190382	WRMJDCNWHOWUOD-UHFFFAOYSA-N	238.396	4.846	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](O)CCCCCC(C)C)C1	383229238	TXGLTZPEYNSXAK-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(N)CCC(C)(C)CC2)C1	383600188	QBBREFXBDXKRCE-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC/C=C/CN[C@H](CCCCC)c1ccccc1	384982780	JQTLKFNSTQSTGK-SCBHQAGPSA-N	245.410	4.864	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCC1=CCCCC1	385707763	LUVTVBQUSBRBAR-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
CC[C@](O)(c1ccccc1C(C)C)C1CCCC1	387514340	GFUNZQLMLQCWPZ-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCCC1(CN[C@H]2CCC[C@H](C)CC2)CCC1	391826311	XFFGFNVEZWAGSF-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](N[C@H]1CCCC12CCCC2)c1ccsc1	392818273	ZSSKVDCTDFCWPH-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C(C)(C)C(C)(C)C	393890273	ZWTAGZGSGNWSSQ-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CCCC1(NC[C@@H]2CCC[C@@H](C)C2)CCCC1	394422051	DMUBOAQXCRJPFL-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCOc1sc2ccc(CC)cc2c1Cl	396195436	WERNZKONGYZYMF-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc2sc(C)cc2cc1C(F)F	396201888	QDHXLSYSGYJCLN-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1c(S)cc(C(F)F)c2sccc12	396232548	CPWPMQUVNUYEAG-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1cc(C(F)(F)F)c2ccsc2c1C	396307727	RVYWCJGNRZYDSV-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC(C)NCC1(CCC2CCC2)CCCCC1	398689208	GBHKXCXGUOHWBM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)c1cc(C)c(C)s1	401081062	NTHLBVXEOOBEHJ-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CCCC1(/C=C(\CNC)C2CCCCC2)CCC1	686131598	SRQSCDIYUBEBBJ-DTQAZKPQSA-N	249.442	4.683	0	10	BJAE	
CCCOc1cc(C)ccc1N[C@@H](C)C(C)(C)C	687710951	PFINGGRPYORQAG-ZDUSSCGKSA-N	249.398	4.630	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(CCC2CCC2)C1	688329190	OFHGAQGHELQWDA-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(NCCC2CCC2)cc(C)c1Cl	690303446	DYCQUHPWANKOKX-UHFFFAOYSA-N	237.774	4.559	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](CC)C[C@@H](C)CC	695061861	PGRXWZJHBDSNEX-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@H](CCC(C)(C)CC)NCC	696647166	SIIZCUAMAJQSSG-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccccc1C(C)C	696659015	LLGGIMOHHHXIRJ-OAHLLOKOSA-N	234.383	4.670	0	10	BJAE	
NC[C@@H](CCC1CCCCC1)C1CCCCC1	696848005	HQFSPLNGGCJIAU-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC(C)=CCCc1ccc(C2CCC2)cc1	697986508	JGZHXJNVFNXKQB-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
Cc1cscc1NC1C(C)(C)CCC1(C)C	699582738	JKJDVOIYRHGMKY-UHFFFAOYSA-N	237.412	4.683	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@@]2(C)CC2(C)C)cc1	702140202	DINZVWXXDMSFPI-YVEFUNNKSA-N	244.378	4.819	0	10	BJAE	
Cc1cc(C)cc([C@](C)(N)C[C@H](C)CC(C)C)c1	704505397	DHHPIRAHXKEHSO-NVXWUHKLSA-N	247.426	4.550	0	10	BJAE	
CC(C)(C)CCCNc1cccc(F)c1Cl	709698304	XVNZBUQQHYVOTK-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
C[C@@H](C[C@@H](O)C1(C)CCCCCC1)C(C)(C)C	710725141	WJMGHTNZZZDXHP-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
C[C@H](C[C@@]1(O)CCCC12CCCC2)C(C)(C)C	710731118	PRZVNGDOOBBJBW-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C[C@H](C)C(C)(C)C	710753739	NPYVABOHLWLLTH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H]1C[C@H](C)Nc2ccccc21	713131578	FMHNCIPPDQPZON-QWHCGFSZSA-N	231.383	4.801	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CC[C@H](C)c2ccccc21	713169148	NBCVFRBTPMUTHQ-GUYCJALGSA-N	246.394	4.598	0	10	BJAE	
CC(C)NC[C@]1(CC(C)(C)C)CCC[C@@H](C)C1	713310596	GSGLQWLWEZRCGO-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@@H](CC1CCCCCC1)NCC	713760185	GBAWPTQVKVBMQD-OSJSJHBBSA-N	249.442	4.847	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@@H]2CCCC[C@H]21	714304520	PTAZUNMRBQCEQB-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@]1(C)CNc1cccc2ccccc12	717001629	WVKBKLLQQREIOJ-QGZVFWFLSA-N	239.362	4.688	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)C(CC)CC	718570654	DDFGWODOCRXQNN-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CNC[C@@]1(CCC(C)=C(C)C)CCCC[C@H]1C	718739742	OGQXFKCLIGSFSG-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)C2(C)CCC2)cc1	720692820	PYSQXXRIAIZSOM-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCC(C)(CC)[C@H](C[C@@H]1CCC[C@H](C)C1)NC	721656637	UBPYIFHPGWUTOJ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
Nc1ccccc1-c1ccc(C2CCCC2)cc1	1241075786	XOMAALNGCYFGRD-UHFFFAOYSA-N	237.346	4.593	0	10	BJAE	
Cc1ccc(CSCC2CCCC2)cc1C	1307319004	AMJYELRCUSJWJF-UHFFFAOYSA-N	234.408	4.727	0	10	BJAE	
C1CCC(CSC[C@H]2CC3CCC2CC3)C1	1641475507	VOERNVLFVDNLNB-PESDSKBTSA-N	238.440	4.736	0	10	BJAE	
CC(C)C[C@@H](C)CSCC1CCCC1	1644290665	FEUDEJGCXGWPLG-GFCCVEGCSA-N	214.418	4.592	0	10	BJAE	
CC1(C)CCC[C@@]2(CCN2CCC2CCCC2)C1	1875948702	GUOXFFZMPXYOQK-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCCC(C)(C)[C@H](CC=C(C)CC)NCC	1900900627	MTHYPBDCBLDPHT-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1csc(C)c1C	1905432545	QZSAWIFRDXUSRG-JSGCOSHPSA-N	239.428	4.581	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H](C)C1CCCC1	1905443960	JWBAHZFSBCYJNJ-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
C[C@H](C(=O)CCC=Cc1ccccc1)C(C)(C)C	1911936020	KGNYJELRQGCVNY-CQSZACIVSA-N	244.378	4.731	0	10	BJAE	
N[C@@]1(C2CCCCCC2)CCC2(CCCCC2)C1	1915894362	VFLRETPTOUHNGA-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CC1CCC(C)CC1	1919960492	ONHLAJHXEXVXCW-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@](C)(O)C1C[C@@H](C)C[C@H](C)C1	1919969637	KVVWULOZJUOQLB-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H]1CCC[C@H](C)C1	1920194627	UFOQJBJYETZFPV-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](N)[C@H](C)C1CCCCC1	1924117701	AMCUNTVYVTZHCK-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C=C1[C@@H](CN)CCC12CCC2)CC	1924999138	YXKOANBCCJXUFY-HUUCEWRRSA-N	249.442	4.668	0	10	BJAE	
F[C@@H]1CC[C@H](CC[C@@H]2C=CCCCC2)C1	1925821571	WAEORWFBFJZFRB-HZSPNIEDSA-N	210.336	4.651	0	10	BJAE	
CCN[C@@H]1C[C@H](C)CC[C@@H]1C[C@H]1C=CCCCC1	1925891808	KTHBEXGWDJYIAW-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCCC(=O)CC[C@@H](C)CC(C)(C)C	1933331255	JFQOFUUPFXXOOA-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
CCC[C@@H](C(=O)CC1CCCCC1)C(C)C	1936207056	OCVIYANLYKMPTN-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
CCCCc1ccc2ncc(C)c(Cl)c2c1	1937976923	IUDOMMDSZDLJTK-UHFFFAOYSA-N	233.742	4.539	0	10	BJAE	
CC1(C[C@@H]2CCCCC[C@@H]2CN)CCCCC1	1940406007	FITSEHLEZDRSPN-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CC[C@](O)(CCC[C@@H]1CC1(C)C)C1CCCC1	1940873731	CYQWCNCIQZEXDR-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](O)(CCC[C@@H]1CC1(C)C)C1CCC1	1940874297	FWLQZJUMLZYYTE-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@@H](CCC)C(C)C	1941263766	PVYYGCDYQQPWSM-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C(=O)CCCC1CCC1)C(C)C	1941271610	FKPQKHHOTQBBRH-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@@H](CC)C(C)C	1941273847	VUYDFMKFUAGTBV-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](C)(O)CC1CCCCC1	1942653016	MXFXVHNPJCTGLM-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](C(C)(C)CC)C(C)(C)C1CCCC1	1944643933	AQISBOFNUODMLG-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](O)CC1CCCCCC1	1944868318	LPWXTUKNCLIOFS-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)CCC2CCCCC2)C1	1945582720	NVFBUWQZJYOXGS-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCC(C)C)c1cccc2sccc12	1945969185	DTUAQQMVJDDZDK-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CCN[C@@H](c1cccc2sccc12)[C@H](C)CC	1945970254	MIMLWLBSECCFPJ-IAQYHMDHSA-N	247.407	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)c1cccc2sccc12	1945971503	ZWPYEWXYZAKRJC-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CCc1cccc(C)c1NCC(C)(C)C(C)C	1946158436	OBVZZCPENLNIEK-UHFFFAOYSA-N	233.399	4.652	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCCCCCC1CC1	1947462310	LVHQDVMLRUYDRZ-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC(C)(C)C(C)(C)C	1947465205	UOKBYCGDUGJJMD-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)CCC[C@H]1CC1(C)C	1948325681	HQTWTQFMKVHIBH-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@@H]1CCCC(C)(C)C1	1948326112	JVPWGYAVGIOSDZ-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1CC(C)(CC)C1	1948404792	DHZQZZXBTMVSKO-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CCCC1=CCCCC1)NCC	1948422022	BOTPUGZSVLMUGA-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CN[C@@H]1C[C@@H](CCC(C)=C(C)C)CCC1(C)C	1949652890	GPYWYQAQOQPRHO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(=O)c1cccc(-c2cc(C)cc(Cl)c2)c1	1950613085	WDTBNCDNLLQBFS-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CCC[C@@H](CC)NC[C@@H]1CCCC(C)(C)CC1	1950921428	FQKDYFKDLKBBRA-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@@]1(CNC)CCC[C@H](C)CC1	1950930622	QGNZRUXIWVVGKS-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(NC2C[C@H]3CCCC[C@@H]3C2)cc1C	1968255052	QHOUMRUCIJASBR-HUUCEWRRSA-N	243.394	4.684	0	10	BJAE	
Fc1cccc(NC2C[C@H]3CCCCC[C@@H]3C2)c1	1968262173	HARRXFTWLFLLGQ-CHWSQXEVSA-N	247.357	4.597	0	10	BJAE	
CCC(C)(C)CNc1cc(C(C)C)ccc1C	1968601921	CKWYTVFAELVQRC-UHFFFAOYSA-N	233.399	4.967	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@H](C)C[C@@H]1C	1969583492	VRCVAKGHBYXBEG-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@]1(C)CCCN([C@H]2CCC3(CCCC3)C2)C1	1969870777	TVKPOEFRVBTZSR-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@H]2CCCC3(CC3)C2)CC1	1969973778	NJHOOPYWRGWBNM-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	1970682032	ZAEXLSMVJGSYDD-UTSKFRMZSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NC1CCC2(CCC2)CC1	1973044677	YNFABJJNFVSZDV-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
C[C@]1(CC[C@H]2C=CCCC2)CCCC1(F)F	1979998519	YDCCPCBVJGQZRE-QWHCGFSZSA-N	228.326	4.948	0	10	BJAE	
CCCCCC[C@@H](NCC)c1cscc1F	1982841991	OBIVAZVGEFIUEU-CYBMUJFWSA-N	243.391	4.508	0	10	BJAE	
CC[C@@H](c1nc(C(C)(C)CC)cs1)C(C)C	1986415908	URFRAYOBVFINFI-LLVKDONJSA-N	239.428	4.980	0	10	BJAE	
CC[C@H](CNc1c(C)cccc1Cl)C(C)C	1988767471	LIMGGLQPGLTNCU-GFCCVEGCSA-N	239.790	4.743	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)CCC=C(C)C	1988781066	RBGRQHGSIZDEQT-HNNXBMFYSA-N	225.420	4.667	0	10	BJAE	
Cc1cc(O[C@H](C)CC(C)C)c(C)cc1Cl	1989926493	NXNYSVVQRAZIMQ-GFCCVEGCSA-N	240.774	4.770	0	10	BJAE	
CCCC[C@@H](N)CC[C@@H]1CCCC(C)(C)C1	1994028261	BXYROBBAFTZTNB-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@@H](C)C1CCC(C)(C)CC1	1996553856	QLNFEPWDVJXOBB-MJBXVCDLSA-N	239.447	4.616	0	10	BJAE	
CC[C@](N)(CCCC1(C)CC1)C1CCCCC1	1996570486	ODORDCRHBLSUJP-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(N)CCCC2(CCC2)C1	1997045025	CYQPKRHVXKHYEQ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCC=CCCC1)C(C)C	2000000152	ZQKICRHQXDJQPW-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@](N)([C@H]2CCCC(C)(C)C2)CC1	2000062649	NSPHCFCHBAWNKB-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)NC1C2CCCC1CCC2	2003332805	WWKPXUNUXUHOED-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
O=C(CC[C@H]1C=CCCC1)c1ccccc1Cl	2003681360	BOUBHDBIODBXGB-LBPRGKRZSA-N	248.753	4.659	0	10	BJAE	
N[C@H](CC1=CCCCCC1)c1ccc(Cl)cc1	2003698401	NRJYGUKBTKLVNO-OAHLLOKOSA-N	249.785	4.620	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)C1(C)CCCCCCC1	2004920396	JRRGFDWMQLUWCR-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1C[C@H](CCC(C)=C(C)C)C[C@@H](NC)C1	2006626210	CQKNXTSDQMGPNM-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@@H](C)CC(C)(C)C)C1	2007746000	FWTGCNPVRPULGM-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCC(C)(C)C)[C@@H]1CC	2009248532	JDLAWEZMUNECLI-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCC(=O)C1CC2(CCCCC2)C1	2009578398	QPAQHQAGDNRNHF-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC=CCCC[C@H](NCC)C1(C)CCCCC1	2009598962	ULAUJRXKWQMWSS-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(O)([C@@H](C)CCC(C)C)C1	2009717801	NYGSXOKKZAPOEI-FHERZECASA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](O)C1=CC[C@H](C(C)(C)C)CC1	2010719737	GKDPBKLIVYTJGY-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@@H]1CCC1(C)C	2014857961	GUHGIILLCHRDBU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1C[C@@H]1CC)NCCC	2016846242	BAZDKYGERNQHGH-UKWPMUSOSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](N)C[C@H]1CC[C@H](CCC)CC1	2017722986	SDFUXCYUAGUQGY-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)C(C)(C)CC)CC1	2017728902	QFZGTYFQCSSIDX-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](C)C[C@H](C)C[C@H]1CC[C@H](CC)CC1	2017729959	BPQHWBCSUSWRJH-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CCC(=O)c2cccc(C)c2)CC1	2018936833	GDNHSEJWDREYDH-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCC[C@H](C)CN1CCCC12CCCCCC2	2019291281	OQGGQLVBPDJMQK-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCC[C@@H]1C[C@@H]1COc1ccc(C(C)C)cc1	2022543415	GSZXMZTYEGOMSI-HUUCEWRRSA-N	232.367	4.625	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCC[C@H]2CCCC[C@H]21	2022994427	QNPUZLVZBIXNKZ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC[C@@](C)(CCCCC(C)(F)F)CNC(C)C	2023287622	KOVMNJLABRDUCY-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@@H]1CCC(C)(C)C	2023613347	RNDKNGTZRWTIJX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CCC(C)(N)CC2)C1	2024094084	HLNGBHUNYVEGJY-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@](C)(N)C2CCCC2)C1	2024102324	RFRSFWSGXIHYCQ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H]1C[C@H]2C[C@H]2C1	2026057950	BCYWURYLNATALT-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CC[C@@H]2C[C@H]2C1	2026062498	REACPKJOBAALOH-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@H]2C[C@@H]3CC[C@@H]3C2)n1	2026532077	VTXOZUYHSSPGEL-FVCCEPFGSA-N	249.423	4.635	0	10	BJAE	
CC(C)(C)c1coc2c1ccc1ccccc12	2026532615	BWVLPYKWZVNMHM-UHFFFAOYSA-N	224.303	4.884	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1ccccc1C(C)C	2027518661	UGQCWXNKBWCORN-YOEHRIQHSA-N	248.410	4.916	0	10	BJAE	
CC(C)(C)C1CCC([C@@]2(N)CCCC23CC3)CC1	2028129455	VZSKCOCEOPZJMS-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1oc2c(C(C)(C)C)cccc2c1O	2028132345	TZKZKFLDUNHULB-UHFFFAOYSA-N	246.350	4.634	0	10	BJAE	
CC[C@](O)(CCCC1CCC1)c1cccc(C)c1	2028496258	YPQLKOKZFFGISJ-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1ccc(C2(C)CC2)cc1	2028596010	CHCPGKCIQOFHJG-XJKSGUPXSA-N	245.410	4.564	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)c1ccc(C2CC2)cc1	2028605339	NADMZVWFVBWKNR-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC1CCC=CCC1	2028872417	FPSQQKIGEUSTEJ-OAHLLOKOSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@@H](CCC)c1ccccc1CC(C)C	2028926686	JJTRXQFQDYGPES-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](CC)c1ccc(C)cc1	2029968144	ZIIDMNNNLARVDX-YOEHRIQHSA-N	247.426	4.862	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1CC(C)(C)CC2(CC2)C1	2030286894	FHUMKRCUJBMABE-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](N[C@]23CCCC[C@H]2CCC3)C1	2031798476	MQTXJSVYJTUUDR-ZOBUZTSGSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@]23CCCC[C@H]2CCC3)C1	2031852829	SIAXCDIYPKNGDX-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(F)cc(C(=O)C(C)(C)C2CCCC2)c1	2032295242	GBSMKLPIJMJOIB-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@]12CCCC[C@H]1CCC2	2032484825	VMCPZAKMSMHDMT-AIANPOQGSA-N	248.410	4.742	0	10	BJAE	
CC1(CC(=O)C2C[C@H]3[C@H](C2)C3(C)C)CCCCC1	2032585865	DGWQUCDRVKDUPH-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2C[C@H]3CC[C@H](C2)C3)C1	2033102065	YGXFEBAYWKXRIA-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)ccc1F	2034264091	PJPYSSSCMFASMN-JGGQBBKZSA-N	247.357	4.515	0	10	BJAE	
CCCN[C@H](CC)CCCC=Cc1ccccc1	2035349027	YFOGQZWXIOYDEV-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
O[C@]1(C[C@H]2C=CCCC2)CCCCC12CCCC2	2035600710	QGUKJGMWMIZVNK-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@]2(N)CCCCC23CCC3)C1	2035926605	QSXVGRPGNFZXGA-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCC1(C)CC(C(=O)c2cccc(C(C)C)c2)C1	2036488395	FHDHLXZUXNAWOF-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CN(CC1(C)CCCC1)[C@H]1CCC2(CCCC2)C1	2036771736	RBFHMIOEPOFHLQ-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)C1=CCCCCCC1	2037074451	PCSQPRQSEHZQQN-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1c(C)oc2ccccc12	2037215430	KILCXWNUKNVMGZ-HNNXBMFYSA-N	245.366	4.567	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)CC1CC2(CCC2)C1	2037980578	ZWEWIEJCEYQTSE-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
c1cc(NC2C[C@@H]3CCC[C@H]3C2)cc(C2CC2)c1	2038612121	XIZZNHVGZDHGKM-GJZGRUSLSA-N	241.378	4.555	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNCCC1(C)CCCC1	2039452560	KKRUPSVOOONJEJ-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CCC1)[C@]1(C)CC=CCC1	2042019269	MRLFOUAOCKJITD-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)[C@@]23CCCC[C@H]2C3)C1	2045381903	OYJISVNWKOMDOP-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H](C)CCC(C)C)cc1C	2045559565	ZZIVUESRBAEGKA-LBPRGKRZSA-N	246.394	4.867	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C1(CCC)CCC1	2045816146	PAZNSORPBMGYON-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@@H]1CC12CCCC2	2047060317	WRMQMIFMUFLCMZ-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048465790	OHDXJOHTMHOVMY-LISQQWEMSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@]1([C@@H]2[C@H]3CCCCC[C@H]32)CCCCCN1	2049220535	XAZGXDQUYNDSMI-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@]1(CNCC)CCCC(C)(C)C1	2049517180	HQBGZZFHYKMIIW-KRWDZBQOSA-N	249.442	4.705	0	10	BJAE	
CCc1cccc(N[C@H](C)[C@H]2CCC[C@@H](C)C2)c1	2049536842	OGAATYWTGGYENH-FMKPAKJESA-N	245.410	4.876	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)CC2CC3(CCC3)C2)C1	2049539798	JEUPYRPPYPJWIP-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@@H]2C2CCCC2)CCC1	2049672259	KNPFYHXMBCOISY-IAGOWNOFSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@]1(C)C=CCCC1	2049997778	QAWCONUKIQJOLY-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@@]12C=C[C@@H](CC1)C2	2049998389	VGHDOOIQLFZCQH-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(N)(CC2[C@@H]3CCCC[C@@H]23)CC1	2051593830	HLOPREKXONWRLB-QBBMROGASA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCCN1CCCC[C@@H]1C1CCCCC1	2051674725	MNOSOHJMMCSWIF-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cnccc2C(C)C)C1	2053852870	BTTKHGUSWSVFNX-ZIAGYGMSSA-N	246.398	4.586	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CC1CC(C(C)C)C1	2056669327	ILTBPQBBVQTJPG-VXTDNTOSSA-N	248.410	4.620	0	10	BJAE	
CCC1CCC([C@@](C)(N)C=C2CCCCC2)CC1	2056916108	GTXNLDFKFMKNQN-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)C1CC(C)C1	2061082648	WYMQXAGJVUSZRE-UMAGBFNSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C1=CC[C@H](CC)CC1	2061084369	JINVPUAKDIDETM-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C1=CC[C@H](C(C)C)CC1	2061150294	KCXSWXUEFIWMIW-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)C[C@]23CCC[C@H]2C3)C1	2061602359	MXDIBSXNAJBQIT-SOXILONMSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc2ccn(CCC[C@H]3C[C@H]3C)c12	2062614676	IBKCJOIJZJRSKV-CJNGLKHVSA-N	241.378	4.640	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@@H]1C)c1ccccc1	2062640353	CDDAPCLJKFQCGJ-BHYGNILZSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H](C)C1CC2(CC2)C1	2064595269	HSUAOHFFVPZWGR-SQWLQELKSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@@H](N)CC12CCC(CC1)CC2	2065280209	RUZDCPABOBNQIE-JPLDOALUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H](N)C[C@@H](CC23CCC(CC2)CC3)C1	2065339963	QSEYSACYFKTVRR-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@]2(CNC3CC3)CCC2(C)C)CCC1	2068243852	MILNEJVCORVING-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)NCC1(C[C@H]2CC23CCC3)CCCCC1	2069168467	QHPZOXOFWNAMBZ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C1CCCCCC1)C1(CC2CCC2)CC1	2069564732	XARDMZIHXLEYLV-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@]12CCC[C@@H]1C2	2070791184	UQFGBQQYFOAOJF-CXAGYDPISA-N	243.394	4.586	0	10	BJAE	
CCC[C@H](NCC[C@@H]1C[C@H]1CC)c1ccccc1	2071467465	WGKFFQPCRXXEBK-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)c2cccc(C)c2)CC1	2072695573	IEMUWWHHGGNZSH-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
CC[C@H]1CC[C@H](CNC2(C3CCCC3)CC2)CC1	2072799156	PTMNLRASQCQTBU-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@]23CCCC[C@H]2C3)CC1	2074033935	OEMAQFPXVANKJA-SOEBMCCKSA-N	249.442	4.645	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@H]1CCCC2(CC2)C1	2074800236	TUJDJCIYGYYIKE-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)Cc1ccc(C)c(C)c1	2074921954	KZQGBVUFRFTQIY-HNNXBMFYSA-N	247.426	4.560	0	10	BJAE	
CC(C)NC[C@]1([C@H]2C=CCCCC2)CCC1(C)C	2075364964	JJWBPXHRNZQTMO-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CC3CCC2CC3)C1=O	2076448704	ADLGDXITOBLVOZ-CVSAEHQPSA-N	248.410	4.598	0	10	BJAE	
CCCN(C[C@@H]1CC=CCC1)C1CCCCCC1	2076550617	JTBXARZCNRUIKW-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCC[C@]1(C[C@@H]2C[C@H]2C2CCC2)CCCCCN1	2079312206	ORRKYPRWLJCVSU-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCC1)[C@@H]1C[C@H]1C1CCCCCC1	2079430314	CSSAXJYDNZZPSM-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCCNC[C@H]1C[C@@H]1C1CCCCCC1	2079457480	IGINNMZFOVVBKJ-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
CCCc1cccc([C@@H](CC=C(C)C)NCC)c1	2081789211	NENPGSRUVCKHGX-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](NC)c1cc(C)cc(C)c1C	2082929297	CMIWZKRCWBTZJO-YLQAJVPDSA-N	247.426	4.555	0	10	BJAE	
CCCN[C@H](CC)CC1CC2(C1)CC1(CCC1)C2	2083616218	WRANJQQHMPBBSX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N2[C@H]3CC[C@@H]2C[C@H](CC)C3)CC1	2084509518	BNSWVFRNKRVDLD-XMGYEWCTSA-N	249.442	4.608	0	10	BJAE	
CCCCC[C@](O)(CC)CCCCC1CC1	2211120548	FEPLQZAVCDXJHQ-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)C[C@@H](C)CC	2212590361	VUAOSIDUKVHZFR-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CCCCCCCC1CC1)NCC	2213576695	SXGGJWFPNBUYKQ-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@H]2C[C@H]2CC)C1	2215332718	OCTMMLLXROYSHI-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(O)CCCC(C)(C)C2)C1	2215382976	HJBIYZLNSUEBCU-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@]2(O)CCC[C@H](C(C)(C)C)C2)CC1	2216255515	DPXIBWWEUWWICR-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C(C)(C)CCC	2216284967	HFOLVTCCATXZKE-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@]1(CCCCC(F)F)CCCCCN1	2216448939	HENXHDRXEMAHEF-CQSZACIVSA-N	247.373	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1C[C@@H](O)CCCCCCCC1CC1	2216861417	GIHKSJYEWAIZIU-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CN[C@H](C)CC)C=CCC1	2217153187	KGCNYNAJRIQFRE-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](NCCCCCCC1CC1)c1ccco1	2218757135	CNRHQSLMRZIVQR-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)CC=Cc1ccccc1	2219088799	UXUCYMLWKQVGSS-JKSUJKDBSA-N	245.410	4.504	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC3(CC3)NC2)CC1	2220210071	VEQIMCVMKCHBSE-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C1CCCCC1)C1(C)CC2(CCC2)C1	2221003427	SMPVDFYRXWUXJS-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(C[C@H](NC)[C@]2(C)CC=C(C)CC2)C1	2221621664	FQWIYNPETZZCCR-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@@]1(C)CC=C(C)CC1	2221622533	IGEMTNPDBPYZKF-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2221640654	NUCHRLTXLANFRJ-HWMZRRJGSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1c(C)cccc1C	2222003427	AEMFWUHHKGYMSH-BBRMVZONSA-N	248.410	4.943	0	10	BJAE	
CC[C@H]1CNCCC1=CCCCCCCC1CC1	2223112098	ZMFCLFVDYUSSDQ-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
C[C@H]1CC[C@@H](CC2(CNC3CCC3)CCCC2)C1	2223549104	SDHQXYQJKNSBRD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCC2(CNC3CCC3)CCCC2)C1	2223567720	ZSILZQPEDDZSDV-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1CC[C@H]1CCC[C@H](C)C1	2246661957	COFIYTLVEJNBJN-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)CC[C@H]1CCC[C@@H](C)C1	2246724281	DGGLWRKVHWLZQL-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(O)CCC(C)(C)C1	2248870714	MWKZXEQCCJRXDQ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](C=C1CCCCC1)NCC	2250367951	BMKGKIFJVFCHMM-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)CN[C@@H]1CCCCC12CCC2	2250383141	WODFSLQGOTVYNA-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1csc2ccccc12	2250387312	ZPLKPAVCWMFVGV-NHYWBVRUSA-N	247.407	4.727	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1CC[C@@H](C)[C@@H]1C	2250468825	IFOSFBJBIMHPJK-XHSDSOJGSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)c1ccoc1	2250480255	DVGZABBPFXIVNA-HIFRSBDPSA-N	237.387	4.522	0	10	BJAE	
CC[C@@](O)(CC[C@@H](C)CCCC(C)C)C1CC1	2250495966	NIPSWQSMYFWKIQ-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)C1)[C@H]1C=CCCC1	2253792226	XPEAOGMDRZUECV-YZUHTNEWSA-N	249.442	4.537	0	10	BJAE	
CC1CC(C)(C(=O)CC[C@H]2CCCCC23CC3)C1	2253839566	OJCMDYNQLSQJNC-NPCAHTBFSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)[C@@]23C=C[C@@H](CC2)C3)C1	2253916987	IBULWZQCIGLQPH-IVSAIRAKSA-N	246.394	4.518	0	10	BJAE	
CCc1cc(NCCCC[C@@H]2C[C@H]2C)ccc1F	2254543466	LMHRFKIWZJGMAU-TZMCWYRMSA-N	249.373	4.626	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCCC[C@H]1C[C@@H]1C	2254576395	GUSBZIOQPBHMPS-SMLCLMEVSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC1(C)C)C1(C)CC=CC1	2254990301	SQYPXDAVNLLKKF-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@]1(CC2=CCCCC2)CCC[C@@H](C)C1	2255104827	XSKSIGUAFDRYIL-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN(C)C2CCC=CCC2)C1	2257963914	QWBJQDMIHAUMQP-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@]12CCC[C@H]1CC2	2260525488	VQPRPZVXYBFFNZ-GUYCJALGSA-N	242.362	4.573	0	10	BJAE	
C[C@H](C[C@@]12CCCC[C@H]1CC2)[C@H]1CC[C@@H](N)CC1	2260589270	XGPSMYBQAUQOOK-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CC[C@H](N)C[C@@]23CCCC[C@H]2CC3)C1	2261498984	DPVCUSGRKFBDHQ-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)c1nc2ccc3ccccc3c2[nH]1	2263177121	PDCAWJYYOLPJST-NSHDSACASA-N	238.334	4.620	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@@]12CCCC[C@@H]1CC2	2298713565	PZMJYCJJHBSHQR-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(O)CCCCCC1(C)C	2298861481	MIYHBSLFTCNTHC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)CC(C)(C)F	2300682909	DMETXXJDSXGDFM-AWEZNQCLSA-N	245.426	4.709	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CC[C@H]1CC(C)C	2300685738	IGJFPEPFOUKELH-JKSUJKDBSA-N	239.447	4.569	0	10	BJAE	
CCCC(C)(C)[C@@H](CC1CCCCCC1)NC	2301139465	GOEJUGDQUOZJJR-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CC1CCCCCC1	2301142971	OSIIREQUYZMXJK-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)[C@@H](C)S[C@@H](C)C3	2301730573	SALJLMJGTXSGEC-WDEREUQCSA-N	245.391	4.524	0	10	BJAE	
CCCN(C1CCCCC1)[C@H](C)[C@@H](C)C(C)C	2301967792	MIIIZRSCZDCELX-LSDHHAIUSA-N	239.447	4.712	0	10	BJAE	
CC(C)(C)CC[C@H](N)CCCC1=CCCCC1	2302361137	JCVWPCNMLFGKBU-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H](C)c2sccc2C)CC1	2303594047	BUSABQNVIPPUNU-KGLIPLIRSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cccc(C(C)C)c1	2303658276	GWDMUGKXSGHPIA-XJKSGUPXSA-N	234.383	4.670	0	10	BJAE	
CCC(CC)C[C@@H](O)CC[C@H]1CCC(C)(C)C1	2304353076	XWEHODXEQYSVTH-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC(C)NCC[C@H](C)CC[C@@H]1CCC(C)(C)C1	2304408754	BJZIZJOSZDJGER-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C1=CC[C@@H](c2nc(C3CC4(CC4)C3)cs2)CC1	2304460433	LWVDBLOYHLNXOW-LLVKDONJSA-N	245.391	4.624	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H](C)c1ccccc1	2307758128	UCWHQFVDKJVSML-ZIAGYGMSSA-N	232.367	4.576	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CCCNC12CCCC2	2307828060	FBCGASLFSTXTCK-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CC(C)=C[C@@H](C)C1	2307839109	VVYPXTIUHKEXIN-VHDGCEQUSA-N	236.399	4.764	0	10	BJAE	
CCCC1CCC([C@@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2310895132	QJDVKNRRHBBIND-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)[C@@H]1C[C@H]1C1CCCCCC1	2311525516	VEFCTEFWTALWEX-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@](N)(C[C@@H]2C[C@H]2C2CCCCCC2)C1	2311569684	RYPRPCIMHSTCSS-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1CCCCCCC[C@H]1C[C@@H]1C[C@@H]2CC[C@H]1C2	2312879785	KBQHQFXJPIVWID-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@](C)(NC(CC2CC2)CC2CC2)C1	2313609360	RFDFUQGGLBNWNO-KRWDZBQOSA-N	249.442	4.514	0	10	BJAE	
CCc1cc([C@@H](NC)[C@@H](CC)C(C)C)ccc1C	2314711529	KGVMFCWJZSOZNY-DLBZAZTESA-N	247.426	4.500	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCCC(C)C)c(C)c1O	2315948680	AUMCLCZWLBIKCD-ZDUSSCGKSA-N	249.398	4.636	0	10	BJAE	
Cc1ccc(C(C)C)c2c1NC[C@@H](C(C)(C)C)C2	2315948797	XUXIRDRCAHBYFF-ZDUSSCGKSA-N	245.410	4.749	0	10	BJAE	
CC(=CC[C@@]1(N)C=CCC[C@@H]1C)CCCC(C)C	2316501612	GGURFQXLVIQWOP-IRXDYDNUSA-N	249.442	4.833	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1C[C@@H]2C[C@@H]2C1)CCCC(C)C	2316502082	IVIAIVGWGJLMQH-HZMVEIRTSA-N	249.442	4.523	0	10	BJAE	
CC(=CCN1[C@H]2CCC[C@H]1CC2)CCCC(C)C	2316512626	HJBBJLXOOFZBSL-IRXDYDNUSA-N	249.442	4.776	0	10	BJAE	
CC(=CCn1ccnc1C1CC1)CCCC(C)C	2316524546	PDEZLISFAMHFIW-UHFFFAOYSA-N	246.398	4.533	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316793570	XSWLGVLAKSCOFT-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
C[C@](N)(C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2316873426	GQCQMEGIEYAJSM-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1[C@@H](C)C[C@H]1C	2316992111	HNFKFUOPZPNIHC-WTTBNOFXSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1C[C@H]2C=C[C@H]1CCC2	2317113783	BJHALWFBZCDKPL-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]([C@@H]2CC(C)(C)[C@@H]2C)Nc2ccccc21	2318249379	WQTVGBIVYQJSFC-ZNEHSRBWSA-N	243.394	4.657	0	10	BJAE	
C[C@@H]1[C@H]([C@]2(N)CCCC23CCCCC3)CC1(C)C	2318259592	SWDMKTQGXSACGL-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
COc1ccc(F)cc1CCCC1=CCCCC1	2318573703	VNBLGOLYVKIBAW-UHFFFAOYSA-N	248.341	4.657	0	10	BJAE	
CNC[C@@]1(CCCC2=CCCCC2)CC=CCC1	2318598946	VCQKNAOODWXPCL-KRWDZBQOSA-N	247.426	4.603	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@H]2CCCCC23CC3)C1	2319123855	MXNRMONUHQJBKI-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC[C@H]1CC[C@H]1C1CC1	2319751560	XGOZCLUJHYECEJ-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H]2C[C@@H]3CCCC[C@@H]3CN2)CCCCC1	2319820563	RQBZPMYMLNTFBC-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC=C[C@@](N)(C[C@@H]2CC[C@H]2C(C)(C)C)C1	2320259500	VJRKLRRIVYPGAV-JJRVBVJISA-N	249.442	4.523	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1cccc(C(C)C)c1	2320582914	WTPIMFDQHWYNBK-WMLDXEAASA-N	248.410	4.916	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cc(C(C)C)ccn1	2327836121	JFBJUQZNPQDAJY-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
CCCCCC[C@@H]1C=Cc2ccccc21	1676556	OBFIVFTYPBYCHU-CYBMUJFWSA-N	200.325	4.767	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCC[C@@H](C)[C@@H]1C	20520117	IQRAYEPKCZTPNH-WCVJEAGWSA-N	239.447	4.760	0	10	BJAE	
C[C@H]1CCCCCCCCCCCC(=O)C1	34428472	VPQWBNWSLZYYFH-AWEZNQCLSA-N	224.388	4.886	0	10	BJAE	
CC(C)[C@@H](C)Nc1ccc(-c2ccccc2)cc1	37056997	FCFOHBSTGXBYEW-CQSZACIVSA-N	239.362	4.810	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccccc1COCC	37159857	VLQBVTGVVAFSCQ-CQSZACIVSA-N	249.398	4.604	0	10	BJAE	
CCCCCC(CCCCC)NCCCC	37197966	VROAXTZUCZFRMG-UHFFFAOYSA-N	227.436	4.905	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)c1cccc(C)c1	37219487	BQQRAKKCBGZWQV-HOTGVXAUSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@H](C)N[C@@H](CCC)c1cccs1	49541651	SUPPKRYNSFYABP-STQMWFEESA-N	239.428	4.758	0	10	BJAE	
CC(C)=CCC[C@@H](C)[C@@H]1C=CC(C)=CC1	62233813	KKOXKGNSUHTUBV-HUUCEWRRSA-N	204.357	4.891	0	10	BJAE	endogenous,in-man
CCCC[C@H](CC)Nc1cccc(OCCC)c1	69373414	ARRDBWSOIHKDOX-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CCCCCC[C@H](NC)c1cccc(Cl)c1	71085183	MWSRFDMHEPKGMW-AWEZNQCLSA-N	239.790	4.571	0	10	BJAE	
CCC[C@@H](C)CCC[C@@H](NC)c1ccccc1	80424111	NCHWMKRWQYRQJJ-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1ccc(C)s1	82676642	KFIMGZPSUBKCIN-STQMWFEESA-N	240.412	4.696	0	10	BJAE	
C[C@H]1CCC[C@H](NC(C)(C)CC(C)(C)C)[C@@H]1C	85098029	LMMHGIKBXYEGLW-MJBXVCDLSA-N	239.447	4.616	0	10	BJAE	
CN[C@@H](c1cc(C)oc1C)C1CCCCCCC1	86579472	SKHGVEURWSTZFC-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
CCC1CCC([C@]2(O)CCC[C@H](C)CC2)CC1	86892643	HSPXHSREFYSXQF-LBDPXKHJSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC)C1CCCCCCC1	87690590	MALSECBCOOCUJS-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@@]1(O)CCC(C)(C)C[C@H]1C	88132256	HJRMGLPHCVWXKW-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCC[C@H](C)CC2)c1	91510221	GPKRAXFJALJFJX-SMDDNHRTSA-N	235.346	4.515	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@@H]1CCC[C@@H](CC)C1	94676715	RPAXEEQEIVNCNV-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(/C=C\c2ccc3ccccc3n2)c1	97527762	BUYDHKSWMQVBJU-LUAWRHEFSA-N	245.325	4.714	0	10	BJAE	
CCCN[C@H](CC)C(CC)(CC)c1ccccc1	109748205	ZALMFKYSTPBNHD-MRXNPFEDSA-N	247.426	4.523	0	10	BJAE	
CCCC[C@@H](C)Nc1nc2ccccc2cc1C	110385294	PTWCLPNMCIRHGR-CYBMUJFWSA-N	242.366	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](O)(CC)c1ccccc1	111745563	UHBNQAIQOBSSFT-HYVNUMGLSA-N	246.394	4.501	0	10	BJAE	
Clc1ccc2c(c1)CC[C@H]2Nc1ccsc1	127520613	SUJGRIXFNANOGU-CYBMUJFWSA-N	249.766	4.501	0	10	BJAE	
CCC(C)(C)c1ccc2c(c1)[C@H](NC)CC[C@H]2C	136934116	TYRBDXUPEGJORX-MLGOLLRUSA-N	245.410	4.532	0	10	BJAE	
CCC(CC)C[C@@](C)(CNC(C)(C)C)C(C)C	164417424	FJGGFKDYMVKQHA-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C2(CC)CCCC2)C1	169175776	IXJDFYWWYRVVLK-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H]2CCC[C@H](C)C2)c1	221311406	HTEVZRXMZRVTBE-SWLSCSKDSA-N	227.351	4.701	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCC(C)(C)C[C@H]1C	224970233	AWYJHZAGBGPWIB-TZMCWYRMSA-N	249.373	4.761	0	10	BJAE	
Cc1ccc([C@H](N)[C@H]2CCCCC2(C)C)c(C)c1	226543678	SICRMGRECUVSRM-CVEARBPZSA-N	245.410	4.520	0	10	BJAE	
CC(C)[C@H](C)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1	226551115	ULCUCNUUXCBBHC-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](C)C[C@H]1CNc2ccc(Cl)cc21	233272974	LVZKMAGNWMADRH-MNOVXSKESA-N	237.774	4.675	0	10	BJAE	
CCC[C@H](C)[C@H](N)C(CC)(CC)c1ccccc1	233347725	CUCCIKXHBUSHSX-HOCLYGCPSA-N	247.426	4.508	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)C1CCC(C)(C)CC1	233632296	HOJNHTAPOQXOBU-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@H](N)C2=CCCCCCC2)c1C	235906738	JFLKVQPPUTVYSY-QGZVFWFLSA-N	243.394	4.584	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CC[C@H]2CCCC[C@H]2C1	251104440	FDIQLIPJVMIGJU-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCCC[C@H]1N	251248597	AXNQMGJJBLEEFD-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@H]1CCCCC1(C)C	300283354	KMIWSPXWKLQRJZ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C[C@H](C)CC[C@@H]1C	300689547	HQDJTMDFBRLDPQ-FXUDXRNXSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CCC)NC1C[C@@H](C)C[C@H](C)C1	300690403	LXTDTAOMWYJNFY-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C[C@H](C)CC(C)C)NCCC	300858861	GEAILVRSHMRITD-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@](C)(O)CCCC(C)(C)C	300880704	OMYRMJOWGHEBAQ-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1[C@@H](C)CC(C)C	302614078	YPCZAGJUWZQVFI-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)c1cccc(C)c1	305940668	REALHRIXTAKBQU-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@H](CC)CC(C)C	308049572	FORQYGOQJPQCBJ-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1ccc(C)cc1	308101360	FVMFCKXQZDXPAH-OAHLLOKOSA-N	232.367	4.640	0	10	BJAE	
CCc1ccc(COc2ccc(C)c(C)c2)s1	310246263	CQDLWZJHWVQZLV-UHFFFAOYSA-N	246.375	4.506	0	10	BJAE	
CC(C)CC[C@@](O)(CC1CCCCC1)C1CC1	310250915	XYDOKCQZBPNYCH-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C)/C(C)=C\C1CCC(C)(C)CC1	310423161	OMHIIULRIORLJE-DINCDJDBSA-N	237.431	4.537	0	10	BJAE	
CCCC(O)(CCC)C[C@@H](C)C1CCCCC1	310498452	QGXLKELDABDICG-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)c1ccccc1C(C)C	310836381	LJMYCZQQPUXQQT-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CCC[C@@H](N[C@@H]1CC12CCCCC2)C1CCCC1	313391669	CHJOEBVPXVHNHB-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCCC1CCC(CNC)(C(CC)CC)CC1	317539545	KJMFFEOATLQHEW-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C/C=C/C[C@]1(CNC(C)(C)C)CC[C@@H](CC)C1	317766194	BXBOPGPEFOEADG-BIYNOUFRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(O)CC(C)(C)CC(C)(C)C1	318940056	YWEXJXQRBLBQMM-STQMWFEESA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(CNC2CC2)CC=CCC1	318983596	ZHSWLSYGLSYITA-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](NC)C1CCCCCCC1	319511903	CMERUILDSXZKPH-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](Nc1cccc2ccccc12)[C@@H]1C[C@@H]1C	322084002	VFIPXTALBIMBKW-MAZHCROVSA-N	239.362	4.686	0	10	BJAE	
CC(C)[C@@H](NC1CCC2(CCCC2)CC1)C1CC1	324023766	SGPGLQQLMYMOEU-MRXNPFEDSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](O)C(C)(C)C(C)(C)C)C1	379841518	GUIVOXYKJPEXRJ-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@@H](N)CC1CCCC1)C1CCCCC1	383961115	HPWCFHJOYMESBB-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(CCNCCC2=CCCCC2)CC1	385142863	ISDXDGSCESLXKU-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC[C@H](Nc2cccc3ccsc23)C1	386248004	QRDXQENSRKJCLS-LBPRGKRZSA-N	245.391	4.892	0	10	BJAE	
CC[C@@H](Nc1cc(C)cc(C)c1)C1CCCC1	387698146	WQVVCXYOIKLYDX-MRXNPFEDSA-N	231.383	4.684	0	10	BJAE	
Cc1cccc(C)c1CN[C@H](C)CCC(C)(C)C	395078835	NRGRIDMNBNFLLS-OAHLLOKOSA-N	247.426	4.608	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CC)C1CCCC1	395616374	GQCQWBYQXDPISY-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CCCCCC/C(C)=C/[C@H]1CCCC(=O)C1	396148300	HAEXJMXMUJADNR-YPDDLIOESA-N	222.372	4.662	0	10	BJAE	
CCc1c(C(F)F)ccc2sc(C)cc12	396193799	AWPNYNLLXGCGHM-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1cc2cc(C(F)F)cc(C)c2s1	396198677	KRFOYRRCBDUYMH-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1cccc2c(F)c(C(F)F)sc12	396200468	PQWFFWZGIWMLKW-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC(C)[C@]1(C)C[C@H]1N[C@@H]1CCCCC12CCCC2	397168609	CXVZGXVUCIIVFI-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](O)(CC1(C)CCCC1)[C@H]1CC1(C)C	397665112	XWIQUNHXZJOCGY-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@H](N)C1CCCCCCC1)C1CCC1	398653721	LXPNEHQAVUNSCR-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@H](C)C(C)(C)C)c(Cl)cc1F	687710781	CBTGGOBDNMKHBH-SECBINFHSA-N	243.753	4.634	0	10	BJAE	
CC[C@H](CC(=O)[C@H](CC)CC(C)C)CC(F)F	688868121	MFLREWFEZDLTGC-VXGBXAGGSA-N	248.357	4.699	0	10	BJAE	
CCC1(C(=O)c2cccc(C(C)C)c2)CCCC1	688900349	MZZUAHYMLPHXNN-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
C1CCCC(CCNCC2CC3(CCC3)C2)CC1	691945401	CGBYMNRINSVFEN-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@H](N[C@H](C)CC1CCCCC1)c1ccco1	694623947	ZKCOZCSIJTVQIF-HIFRSBDPSA-N	249.398	4.679	0	10	BJAE	
CN[C@H](CC(C)C)[C@@H](C)c1ccc(C(C)C)cc1	695054887	QNPSSWULCSSVLU-WMLDXEAASA-N	247.426	4.548	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)C1CCCCCC1	696562535	SSXBZRNPSJHSGF-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCCCc1sccc1Cl	698072255	QKRRBLPCXZLZFY-UHFFFAOYSA-N	214.761	4.690	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCCC[C@@]2(C)O)CC1	699659282	APMMWYBLZCFEKD-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	701087731	AWCNHXUWGHZKSX-DVOMOZLQSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(O)CCC12CCCCC2	703753007	PJYNSMMMKLISFM-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCCC[C@@H]1C	704930778	SUZITZAJURSDPF-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CC(C)CC[C@](C)(N)CC1CCC(C)(C)CC1	704938255	JWORSVJSVSMLDL-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
C[C@H](NCC1(C)CCCCC1)[C@]12CCCC[C@H]1C2	709151465	CVWYJMMQEHFEEX-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C12CCC(CC1)CC2	710306690	RDJWKLRSLHMYOQ-VQCLRJIVSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc([C@@H](C)Nc2csc(C)c2)c1	710710187	IHULGTJJJJNHMM-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
CC[C@H](C[C@@H](NC)c1cccc(C)c1)C(C)(C)C	711099480	WFDWLKVXUGJBAL-HZPDHXFCSA-N	247.426	4.718	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@@H](C)C(C)(C)C)CC1	711123388	BTYRUMXFTLAVAI-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]21	712471541	ILJKRAIJHBARLM-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(CC)c(NCC(C)(C)C(C)C)c1	713174744	HWNVVGOJEZWSLY-UHFFFAOYSA-N	247.426	4.906	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC(C)(C)CC	713248163	MEAUOZFWGQCADO-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CCC(C(=O)CC[C@@H]2C[C@@H]2C2CC2)CC1	714808381	ZMYBMOLNDROSEN-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CCCCCCC(=O)CCC(C)=C(C)C	718695952	BREAHQKUEHCULA-UHFFFAOYSA-N	210.361	4.662	0	10	BJAE	
CC1(C)CCCCC[C@@]1(O)C1CCCCCC1	719265441	CKXMWYACGJNKNY-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)(CC)[C@H]1CCNC12CCCCC2	721033001	IQPXJQHTXSVWML-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1CC(C)(C)C1)NC	723569567	ZJPSLXHBLKBBNN-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](S[C@@H](C)C(C)C)c1ccccc1	1307309579	HLTGSXZEMISYCW-JSGCOSHPSA-N	222.397	4.915	0	10	BJAE	
C=Cc1cc2c(s1)CC[C@@H](C(C)(C)C)C2	1535774521	KMOLEMWOAVHNGC-LLVKDONJSA-N	220.381	4.542	0	10	BJAE	
CC(C)[C@@H]1CCCN([C@H]2C=CCCCCC2)CC1	1559545932	JVQWICWBSVTQDL-SJORKVTESA-N	249.442	4.633	0	10	BJAE	
CCC[C@@H](C)N[C@H]1CCCCC12CCCCC2	1875414975	STQLNYPBAOHQJP-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CC=CCCCc1ccc(Cl)c(Cl)c1	1885359181	QLKAWYVOLNEYEK-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
C/C=C/CCCc1ccc(C)cc1Cl	1885363015	OCXFKRNDMRVJRG-ONEGZZNKSA-N	208.732	4.547	0	10	BJAE	
CCCC(CCC)C(=O)[C@H](C)CC1CCC1	1899359568	YDVKDTNGARPQOG-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@@H]2CC[C@@H]21	1907052339	IYKBBHASTKVQSI-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)C2CCCC2)CC1	1909711767	ZLLUOWLAKUOOPD-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCCN(CCCC)C[C@@H]1C[C@H]1C(C)(C)C	1910867757	XULFREJTAOSYIT-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CC=CCCN[C@H](CCCCC)c1ccccc1	1911939748	HEPSHLJJGIQYLD-QGZVFWFLSA-N	245.410	4.864	0	10	BJAE	
C=CC=CCCCc1cccc(Cl)c1C	1913218007	WFIOESOEIMUWQE-UHFFFAOYSA-N	220.743	4.713	0	10	BJAE	
CCCCCC[C@@](O)(c1ccccc1)C(C)C	1919925244	PCLPEEFGUXQPLG-INIZCTEOSA-N	234.383	4.501	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)c1cccc(C(C)C)c1	1920206594	MLASXYCNOPCQGH-YOEHRIQHSA-N	247.426	4.810	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@H]1CCCC12CCC2	1921595210	MLGPHBGTEMRVSC-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@@H]1CCCC12CCC2	1921613794	QQRHDIOCSVCERO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@H]1C=CCCCC1	1925926083	QOIAFXOMWHBGAS-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)C[C@@H](N)CC(C)(C)c1ccccc1	1926376768	UNBRRXUEYOFAIJ-MRXNPFEDSA-N	247.426	4.508	0	10	BJAE	
CC(C)=C(C)CCc1ccccc1C1CC1	1936378348	CTXTVFVFOGUBEB-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
Clc1ccc(OCCCCCC2CC2)cc1	1936426825	JOIFISPGBFNACI-UHFFFAOYSA-N	238.758	4.689	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC[C@H]1CC1(C)C	1940852447	FPODGGXNRJPJBR-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C1=CCCCCCC1	1941250703	HTHRMXOZYIQTTA-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@H](C)C(C)(C)C)C(C)C	1941269346	PEYAXEWQNVMAOC-KBPBESRZSA-N	240.431	4.946	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(O)CCCCCC1CC1	1941579560	PKDVZHQJADRFNY-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@H](O)CCC(C)(C)C)C1	1944199347	MLLAEDGKVLLPFK-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)CCNc1cccc(C2(C)CC2)c1	1944596403	NIIRUKCDUIMHFD-CYBMUJFWSA-N	231.383	4.586	0	10	BJAE	
CC(C)(C)CCCC1(O)C[C@@H]2CCCC[C@H]2C1	1946292933	KFUPYKOPSWSTCC-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)[C@@H]1CCC[C@@H](CC)C1	1947515278	LJZLCXPSAAPBRJ-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2C=CCCC2)c(Cl)c1	1947553590	ZQGQTDDQFAZTGY-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
CCCC(CCC)[C@@H](NC)[C@H]1CCC(C)(C)C1	1949552314	QFZKHRLMLACYID-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CC12CCCCC2)C(C)(C)C	1950605913	XIDTXIQUXKVKHR-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(N[C@H]2CCC[C@H]2C2CC2)CC1	1966049093	RIQXUKBYYHZBGD-KMZOKZLKSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2[C@H]3CCCCC[C@H]32)c1	1968228893	ADXVFQORADYHPI-ZSHCYNCHSA-N	243.394	4.542	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)cc1	1968291570	BNSJFERUPKBCNR-MUJYYYPQSA-N	243.394	4.657	0	10	BJAE	
CCCCC1CC(Nc2ccc(C)cc2C)C1	1968739404	PULKEXBMFHYWIZ-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
CCSc1cccc(N[C@@H](C)C2(C)CCC2)c1	1969623855	DRXQWGOKGULVIP-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1NC1CC2(CCCCC2)C1	1972428721	PKAKNLINENSIEQ-GOEBONIOSA-N	249.442	4.514	0	10	BJAE	
CC=CCCCNc1cccc(C(C)C)c1	1984614117	IBQCORRQBUNABX-UHFFFAOYSA-N	217.356	4.578	0	10	BJAE	
CCCCC[C@H](CC)Nc1nc(C)c(C)s1	1990048963	JWLYHMWMOIPOQO-LBPRGKRZSA-N	240.416	4.531	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC(C)(C)CC	1995264488	VVFMLJPPICDRJS-UONOGXRCSA-N	227.436	4.747	0	10	BJAE	
C[C@H]1CC(NC2(C)CCCCCC2)C[C@H](C)C1	1995825068	BJTNDSSMSUDOPW-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H](C)C2(C)CCCCC2)C1	1995979284	BHCTWSGIHPEJDB-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(O)C1(C)CCCCC1	1995988491	YXDXPJCLDCMEKA-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC[C@@H]1C)C1CCCCC1	1996586642	REQUBHCJWFZVNR-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)C1=CCCCCC1	1996614428	CVWUYNKEJJMRMQ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H]2CCC=CCCC2)s1	1999992787	WZFXMYWHXOIUSN-UONOGXRCSA-N	249.423	4.583	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2CCCC2(C)C)C1	2000103147	YOSUFTIWVXRMOY-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@H](C)CC(C)C	2000504962	MOXINPURJAERJO-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1[C@H]2CCCCC[C@H]21	2002203133	ZSTPRLGLWOUJLF-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H]1[C@H]2CCCCC[C@H]21	2002801068	MPTQXNIVUWPBHN-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)[C@H]1CCCC(C)(C)C1	2003004570	GTJXYSWABIGTNE-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
CCCCCC1CCC([C@@H](NC)C(C)C)CC1	2003067885	YZUOCDDXFUWYRS-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@]1(C)C=CCCC1	2003319760	CGJFFGUZWHYINR-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H]1C[C@H](CC=C(C)C)CCC1(C)C	2004228877	QIFZBKBDJROOLN-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NC1CCC(C)(CC)CC1	2004340783	DIGPVGRGPRDHHO-UIDBIOKJSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)CNC[C@H]1CCCC1(C)C	2004717680	ICDPXMXGNRYVLK-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(C)CCNCC1(C)CCCCCC1	2004937439	OWBFMNQVGKXDNZ-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CN[C@H](CCC(C)C)C1(C)CCC(C)(C)CC1	2007695387	JHAVSTOKIHWXRV-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1CCC(C)(C)CC[C@H]1N	2009405192	WEWMVGWJOMDISK-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)C1=CC[C@H](C)CC1	2010614990	YFLHHMGDVBZYCI-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC[C@](N)(CCC(C)C)C1=CCCCCCC1	2013291835	NMKRCPZGIZTMML-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C[C@H](C)C(C)C	2015275978	UUEYXXBPHQAVKF-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCC(N)(CCC)CCC(C(C)C)C(C)C	2015358637	AHDBFUBFVUBDNS-UHFFFAOYSA-N	241.463	4.993	0	10	BJAE	
CN[C@@H](CCC(C(C)C)C(C)C)[C@@H](C)C(C)C	2015359009	BZRCNFIGSTXODJ-HOCLYGCPSA-N	241.463	4.575	0	10	BJAE	
CC(C)CC1(C(=O)CCC2CCCCC2)CC1	2015743516	UMSFZFFIHAWZLF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](Nc1ccccc1C(C)C)C(F)F	2015821008	NXTORAIAJILNOI-CYBMUJFWSA-N	241.325	4.656	0	10	BJAE	
CCC[C@](C)(CNC)C[C@H]1CC[C@H](CC)CC1	2017726259	YADKJXIFIVBYHU-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(N)CCCCC2)CC1	2017729705	ZNALYPZGYSITJX-SHTZXODSSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(N)CCC(C)CC2)CC1	2017731840	WDDZTHYVRCPFLA-DICYVTDZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@]2(C)C[C@@H]2C)CC1	2017777632	HGHFBOIHADNGLT-YXWQFLTLSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2017807402	MIBZVTSZFOTKRX-NHIYQJMISA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@H]1CCC(C)(C)C1	2018186671	GAGBBKYWWWNELI-GJZGRUSLSA-N	239.447	4.856	0	10	BJAE	
Cc1scc(C(=O)C[C@]23CCCC[C@@H]2C3)c1C	2018632260	SHBSSKQVLYUYES-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CC(C)[C@@H](C)N(C)C1CC(C)(C)CC(C)(C)C1	2019382529	QFJQJAWUEDNKKZ-CYBMUJFWSA-N	239.447	4.568	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H]1C[C@@H]1C(C)C	2022388510	RDSSQTIWOCDRJG-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC(C)Sc1ccccc1NCC=C1CCC1	2023249925	AZIHNNXOKJHWFF-UHFFFAOYSA-N	247.407	4.709	0	10	BJAE	
C[C@@H](CCCCC(C)(F)F)c1cccc(N)c1	2023296232	JFFQBLMQORHPCU-NSHDSACASA-N	241.325	4.588	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CCCCC(C)(F)F	2023299929	QQESWCNXSPNZFH-CHWSQXEVSA-N	249.389	4.602	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@H]1[C@H]2CCCC[C@H]21	2026065380	ZRFKHMLYIQJXAY-HGTKMLMNSA-N	236.399	4.598	0	10	BJAE	
c1sc([C@@H]2C[C@@H]3CCC[C@H]32)nc1C1CCCC1	2026605563	RNDULMXAHXYSAY-YNEHKIRRSA-N	247.407	4.704	0	10	BJAE	
CCCc1ccccc1CC(=O)CCC(C)(C)C	2027908633	MYGWBXPOMAFPQL-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1CC[C@@H]2CC[C@H]21	2027997292	ZUTWNUADLBWZSB-USXIJHARSA-N	241.378	4.555	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)c1cccc(C2CC2)c1	2028554128	HBXPLRIYKFNKJQ-SJORKVTESA-N	245.410	4.636	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)c2ccccc2C2CC2)C1	2028570625	YZWPGONKQUZCNE-GXTWGEPZSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)C1CC(C)C1	2028896273	ATJJDEYFDOZFGW-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC(CC(=O)[C@@H]2CCCC23CC3)C[C@H](C)C1	2031817496	AUIFFXAXUCVLLB-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC(CC2=C[C@@H](N)CC(C)(C)C2)C[C@H](C)C1	2031823032	CJTDBKYKJRJZLN-XJKCOSOUSA-N	249.442	4.523	0	10	BJAE	
CCC1(CC(=O)[C@]23CCCC[C@H]2CCC3)CCC1	2031853187	UYANBLLNEHTILA-YOEHRIQHSA-N	248.410	4.886	0	10	BJAE	
CC(C)NC[C@@]1(CC2(C)CCCC2)CC12CCC2	2032134811	JJIGBSKQENEMFL-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)Nc1ccc2cccnc2c1	2034180034	CYYGWEGGDGUNPQ-UHFFFAOYSA-N	242.366	4.616	0	10	BJAE	
N[C@@H]1[C@H](CCC2CCCCC2)C[C@H]2CCCC[C@H]21	2034269073	OITVLYLFJRLQAG-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C[C@@H]1C=CCC1	2035597653	HHUXCVPMNQYPOJ-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](NC[C@@H]1CC12CCCC2)C1CCCC1	2036130840	XSGSUPAAYYQIJU-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)C[C@H](C)c1ccccc1	2036386406	YEMFFOBZQBRUPQ-ZOBUZTSGSA-N	247.426	4.580	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@@H]2CCC[C@H](C)C2)cc1	2037082032	HKFQOKNQCMBIIS-XKQJLSEDSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1ccc(CC(C)C)cc1	2037096459	FBONPERYMLQWJB-PBHICJAKSA-N	247.426	4.711	0	10	BJAE	
CC[C@@H](C(=O)[C@@H]1CCC(C)(C)C1)c1ccccc1	2037679179	PTIKCOAFAPTTOY-HUUCEWRRSA-N	244.378	4.576	0	10	BJAE	
CCCN[C@@H](CC=Cc1ccccc1)C(C)(C)C	2038072862	WHXZQXPUKXEFEE-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1CC12CCCCC2)C1CC1	2039002649	KLMCPBIOMYRISN-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@@H]2C=CCCC2)CC1	2039386061	QYQJIMOENCNGJO-WBVHZDCISA-N	249.442	4.668	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2[C@@H]3CCC[C@@H]23)CC1	2039387553	XOQWKMSABCTJPF-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CC[C@H](C)C2)c(C)c1	2040137941	LEBZAGXBFQYAOH-NHYWBVRUSA-N	244.378	4.621	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@@H]2CCCC3(CC3)C2)CC1	2041378056	ABVLRBIIPBRORJ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@]1(C)CC=CCC1	2042023697	DSFKBRBIIAHWDJ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H]1c1ccc(C(=O)C2CCCCCC2)o1	2045561787	JESXOLAKIWBGOS-WCQYABFASA-N	246.350	4.556	0	10	BJAE	
CC(C)(C[C@@H](N)C[C@@H]1CC12CCCCC2)C1CC1	2047015442	IWJWESWIEGKIAH-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCC12CCC2)C1CCCCC1	2047963170	VYTFCTTUZNUWOR-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1CCC(N[C@]2(C)C=CCCC2)CC1	2049971316	RMQZCWSMCVCAJI-VMBOVVBDSA-N	249.442	4.680	0	10	BJAE	
Cc1ccccc1[C@@H](O)CC1=CCCCCCC1	2050424358	BIISSGCUMWUFIO-KRWDZBQOSA-N	244.378	4.699	0	10	BJAE	
Cc1ccccc1C(=O)CCCC[C@H]1CC1(C)C	2050459873	BNOPLVOVUGOHGS-AWEZNQCLSA-N	244.378	4.784	0	10	BJAE	
C[C@@H](Nc1cccc2ccccc12)C1(C)CCC1	2052347125	BDELEVHNEFRTNQ-CYBMUJFWSA-N	239.362	4.830	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)Nc1cnccc1C(C)C	2053856130	JMZCALNMRGRDEO-KBPBESRZSA-N	248.414	4.688	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](N)(C=C2CCCCC2)C1	2056908910	YMWNXWYBUGGZKR-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCCC1CC([C@@H](NCC)C2=CC[C@@H](C)CC2)C1	2060926223	PQSRONWGCUJXSR-LYSZQXJVSA-N	249.442	4.537	0	10	BJAE	
CC1(CC[C@@H](N)C2=CC[C@@H](C(C)(C)C)CC2)CC1	2061079833	CJMUUTDFLFHTCR-HUUCEWRRSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CCC[C@@]1(N)CC1CC2(C1)CC(C)(C)C2	2063203797	JBBUBQIJVLTAJN-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063486368	IUFLUCCLXVAJPT-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1C[C@@H]2CCC[C@H]2C1)c1cccc(N)c1	2063497663	SEEICHYCEIWEFY-KCXAZCMYSA-N	243.394	4.589	0	10	BJAE	
C[C@@H]1CC[C@H]([C@H]2CC(=O)CC3(CCC3)C2)C[C@H]1C	2063719049	BQWJKZRWISROHH-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@@H]1CC)C[C@@H]1C=CCCC1	2071511067	MDGGZBGTWISEEB-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCc1ccccc1C(=O)C1(C(C)(C)C)CCC1	2071925623	GTNFBULFCLYYMO-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(C3CC3)CCCN2)CC1	2072802653	ZYRIVUDINOWPPA-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CC23CCCC3)CC1	2072805434	CCRQLFZJPFEQCU-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@@H]1[C@H]1CCCC2(CC2)C1	2073796402	YPOAVGGZOZBXAQ-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@]23CCCC[C@H]2C3)C1	2074031233	XPJNYWSRGMZTPE-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)C[C@]12CCCC[C@@H]1C2)C1CCCC1	2074094642	MSOFJLFQERCSOC-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)[C@H]2C=CCCCCC2)CC1	2074802613	RADBHYBQKODYAR-IXDOHACOSA-N	249.442	4.776	0	10	BJAE	
CCCC[C@H](CC)CN1CCC2=C(CCCC2)C1	2074910214	ZUPXTYQVNPFURA-HNNXBMFYSA-N	249.442	4.779	0	10	BJAE	
CC[C@H]1CC[C@H](CN(C)c2ccc(C)cc2)CC1	2075333398	RLGPBQJWERBCNO-WKILWMFISA-N	245.410	4.648	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCCC2)CCCC[C@@H]1C	2075372779	JPIVCJZPWSGRLA-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCC3(CC3)C2)[C@H]1N	2076396516	VIRHHIWCKPXTLQ-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1CC2CCC1CC2	2077188883	BPGIAZDCXSTBKC-BNICSPFPSA-N	249.442	4.537	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CC[C@@H]2C2CC2)c1	2077262710	DFNRNJKMARXMSS-NVXWUHKLSA-N	241.378	4.555	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@H]2C[C@H]2C(C)C)cc1	2079387600	XUOZIRFPRUWNPJ-STECZYCISA-N	246.394	4.526	0	10	BJAE	
CCC(=C[C@H]1C[C@H]1C1CCCCC1)CNC(C)C	2079660994	OAZVEQLABAVTJH-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)c1cc(C)cc(C)c1C	2082929169	AVYZGNYXVYNTRG-SUMWQHHRSA-N	247.426	4.699	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCc1ccccc1	2086055087	YAZWGTSMQCOFGU-WBVHZDCISA-N	247.426	4.553	0	10	BJAE	
CC(C)(C)[C@H]1CCCC(=CBr)C1	2209082011	VRGHHEAYIBUESY-JTQLQIEISA-N	231.177	4.502	0	10	BJAE	
CCCCCCNc1ccc(Cl)cc1CC	2212632087	ZCOGOEKTOGVJIB-UHFFFAOYSA-N	239.790	4.895	0	10	BJAE	
C[C@H](NCCCCCCC1CC1)C1CCCC1	2213583321	QSBVMJWBVSTHQA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C[C@@H]1CC[C@@H]1C	2214978521	GWDVAEMOBMJJDT-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@@H]1CNC1CCCCCCCCC1	2215033802	OCDIBCXKLXGCFW-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](N)(CC1(C)CC2(CCC2)C1)C(C)(C)C	2215402102	SRHDALSKUHVXPN-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
C1CCCC(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218344666	XUJJWTGZJOEFKC-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2220642269	IVHULRWNAJIALD-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](O)C2=CCCCCCC2)CC2(CCC2)C1	2220934654	BNHSUSLPJKLHBL-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C)c1NCC1(C)CC2(CCC2)C1	2221025918	QGMIBEPFGBWCJU-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CC2(C)CC3(CCC3)C2)C1	2221029088	WXALZQYOTCOCQU-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CCc1ccc(OCC2(C)CC3(CCC3)C2)cc1	2221077709	ZERITDVKNZRUKD-UHFFFAOYSA-N	244.378	4.598	0	10	BJAE	
CCC(CC)C[C@]1(CNC2CC2)CC=C(C)CC1	2221654239	NKMBKWOKQDQCGW-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C(CCCNC[C@]12CCC[C@H]1C2)CCCC1CC1	2223151654	DJNUUGZONUFWMK-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(CNC3CCC3)CCC2)C1	2223590219	VMTQMNNTBKNJRR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H]1CCc2cc(C)ccc2N1	2224122132	XKBGQBMKTBWSKW-BMFZPTHFSA-N	243.394	4.548	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)c1ccc2occc2c1	2224129885	BJCWUJPPNKSCJF-LRDDRELGSA-N	245.366	4.505	0	10	BJAE	
C1=C(CCCCOCc2ccccc2)CCCC1	2241439659	CCAJYQAEXWQRBL-UHFFFAOYSA-N	244.378	4.874	0	10	BJAE	
CC(C)(C)[C@H](O)CCC[C@H]1CCCCC12CC2	2246627658	SJQMGJDCLRLHQK-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2(N)CCCCCC2)C1	2246732176	JKMDZOQGCWLAFX-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CCCC[C@H]1C[C@H]1C	2247114233	GYEBBUMNKADNIU-FXUDXRNXSA-N	240.431	4.636	0	10	BJAE	
CCC[C@]1(C[C@H]2CCC2(C)C)CCCCCN1	2247399170	OUQMOGRAGHEDCP-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@@H]1CCC1(C)C	2247412570	BCEULALERYWWAG-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@@](CC)(CNC)C[C@@H]1CCC1(C)C	2247431793	JFOZMUMUDQKHFP-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CN)CCCCC[C@H]1C[C@H]1C	2248838207	HLDDWWDRPVPMOC-PMPSAXMXSA-N	239.447	4.748	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H]1CCCCNC1	2250531444	XYNDHEKQUAENEQ-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC(=O)C[C@@]12CCCC[C@H]1CC2	2251157106	FZDCVRCTYKOVNL-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)CN(C)[C@@H]1CC(C)(C)CCC1(C)C	2251711238	HPSANVZXODYUOA-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CC1CC(CC[C@H](N)C[C@H](C)CC(C)(C)C)C1	2251758832	GKSKLGXASOQTIA-SHWKFHJASA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1ccc2ccsc2c1	2253066647	AZKGNXCJCFBMSH-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@H]1CCCCC12CC2	2253783643	BHVFCOHDNADAMT-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)NC[C@@]1(CC2=CCCCC2)CC1(C)C	2255102525	SKPPPHSKGWMGTP-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCCCC[C@@H]1C	2256143875	HSIHJTJQBSEBES-SWLSCSKDSA-N	249.373	4.769	0	10	BJAE	
CC(C)=C(C)CCN(C)C[C@@]12CCCC[C@H]1CC2	2260570367	PFUPBXFGLDADEK-IRXDYDNUSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](N)[C@H]1C[C@H]1C=CCCC1	2261442355	GKHJNVUUALIWNW-RRFJBIMHSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC[C@@H]1C[C@@H]1CC)NCC	2298126952	KVLFJCQTKZQHQR-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(O[C@H](C)CC2CC2)cc1	2298908635	QZDMSLDOPQGDAA-CHWSQXEVSA-N	232.367	4.768	0	10	BJAE	
CC[C@H]1C[C@H]1CNc1cc(C2CC2)ccc1Cl	2300668862	BTHMBWGUHYNELA-GWCFXTLKSA-N	249.785	4.675	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@@H](C)CC(C)C	2300691054	PGGWVLWTOOJBGC-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CCc1ccc(C(=O)CCC(CC)CC)cc1	2300704200	ORBGNEHPVGTMSV-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCCC(C)(C)CC1	2300903620	GOHRCZATXKQKDX-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CCC[C@@](C)(CO)CC=C(C)CCCC(C)C	2300931034	GITBMHCFHLTLMP-MRXNPFEDSA-N	240.431	4.948	0	10	BJAE	
CCC[C@](O)(CC1CCCCCC1)C1CCC1	2301136783	AWXMUPVRPSZDED-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1CCCCCC1	2301141129	WBHYFSNLNKBFSK-MRXNPFEDSA-N	239.447	4.892	0	10	BJAE	
CC(C)=CCC(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301250754	RWBFZBSDPIZIAM-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N(C)CCC1CCCCC1	2301701329	OESBQKIZBWKSMP-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@](C)(N)CC1CCCCC1	2301845145	WEVGNYZPFDXFCZ-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@H](C)[C@H](C)C(C)C)CC1	2301863832	HYGPGEQHDKTGOY-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](O)CC2CCCC2)C1	2302683220	QRVYERCLRNURGW-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCC[C@H]2C[C@@H]21	2302911234	TVQUBTZBFZQWKZ-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@](O)(CC)CC[C@@H]1CC[C@@H]1C1CC1	2303077686	IJQWPCUVDJRJLY-ARFHVFGLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CNC)C[C@H]1CCC(C)=C(C)C1	2303518894	CEHLGWXUZGDAJI-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)C[C@H](C)CC(C)(C)C	2303611052	QIYYWEUFSAKRDS-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)CC2CC2)c1F	2307561686	UPNMUBVDPCOHFL-LLVKDONJSA-N	235.346	4.550	0	10	BJAE	
CCC[C@@H](CC)CN(CC)[C@H]1CCCC1(C)C	2307753194	ZSQVCCLJJFWXTM-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CCC[C@@H]32)CC1	2308384815	ACFHPVLNJRYLAQ-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CC[C@@H]1CC[C@@H]2C[C@@H]2C1)CC1CCCCC1	2309146942	YWUWKDOCYGRRJS-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C[C@@]12CCC[C@@H]1C2	2310388317	WNFAAZKEKRPQJP-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]1[C@@H]2CCCCC[C@@H]2C12CCCCC2	2311942068	NVGZHNQMAUGTKM-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(CC(=O)C(CC2CC2)CC2CC2)C1	2313621693	AZCQPTHWOPFSPZ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(OC(CC2CC2)CC2CC2)c1C	2313658540	BHIBQJFAZVDCAO-UHFFFAOYSA-N	244.378	4.651	0	10	BJAE	
CCc1cc([C@H](O)C[C@H](C)C(C)(C)C)ccc1C	2314702815	QPQYNJDFWAKNRL-XJKSGUPXSA-N	248.410	4.663	0	10	BJAE	
CCCc1ccccc1[C@](C)(O)CCCC(C)C	2315904247	BZCNHVTVTCNGQJ-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CCC(CC)CC[C@@H]1CCNc2ccc(F)cc21	2316271536	RFBGIEASCXPUKG-CYBMUJFWSA-N	249.373	4.941	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316697277	KVLNHGUIAKUETP-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(c2cc(C=O)cc(C(C)C)c2)CC1	2317071882	CSXQLXXWHJUOAF-UHFFFAOYSA-N	244.378	4.916	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)C[C@@H](C)c1ccccc1	2317836108	SUJJTFMBKNCHDJ-KFWWJZLASA-N	246.394	4.678	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)CCC2=CCCCC2)C1	2317909700	IKDJDIOJJNRTRL-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CC[C@@]2(C)C[C@@H]12	2317931726	LEWIWQSFFVDIEO-DZKIICNBSA-N	247.357	4.550	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@H]1CC1(C)C	2318585994	DFXPBMAWLHZPEW-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)C[C@H]1CCC=CCCC1	2318929466	SCSXFLTUGRKNJT-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@](C)(O)c2ccccc2)C1	2319030495	NXYNJBAEHWFCPM-RHSMWYFYSA-N	246.394	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@@H]1CCC2(CC2)C1	2320224965	WPQBMWSILXYRGZ-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CNC2[C@H](C)CCC[C@H]2C)CC1	2320268994	WAGBRVYBSAZVPS-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
COc1ccc(CCCCCC2=CCCC2)cc1	2320828748	QOASLJQIFUILPY-UHFFFAOYSA-N	244.378	4.908	0	10	BJAE	
CCCCC[C@@](C)(O)c1cc(C)ccc1C(C)C	2327702218	VVVCGLNWCFVCPT-QGZVFWFLSA-N	248.410	4.906	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCC[C@H]2C)cc1	20549672	UCMKWAQBHBFGNU-CZUORRHYSA-N	231.383	4.801	0	10	BJAE	
C[C@H]1CCC[C@@H](C)C1Nc1cccc(Cl)c1	21802995	PPMNYCZYYPDEAA-BVUQATHDSA-N	237.774	4.577	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(Cl)cc1	21810065	CITHGNWPRPEPNQ-WCQYABFASA-N	239.790	4.967	0	10	BJAE	
CCC[C@H](C)CN[C@H](C)c1ccc(C(C)C)cc1	37044254	LOEHINVYXXEGDX-LSDHHAIUSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc2nc(C)sc2c1	37278419	LMZSEPGUWYAKLP-SNVBAGLBSA-N	248.395	4.595	0	10	BJAE	
Cc1ccc(OCc2ccccc2Cl)c(C)c1	70236359	CMAVBHACZAIXMU-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCCN[C@H](CCC[C@H](C)CC)C(C)(C)C	70747440	YGCCIHSGVDYUAB-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(-c2ccnc(-c3ccccc3)c2)cc1	79465229	UJRVBGVVJVIAEX-UHFFFAOYSA-N	245.325	4.724	0	10	BJAE	
CC(C)c1ccc([C@@]2(N)CCCC(C)(C)C2)cc1	79972882	RTEHAYYIPBJSIG-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCCc1ccc2nc(Cl)cc(C)c2c1	82788475	PZGORGMXXHCGGU-UHFFFAOYSA-N	233.742	4.539	0	10	BJAE	
CCCC1CCC(Nc2cc(C)cc(F)c2)CC1	91511031	XVRAEEPDNXNKKD-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1cccc(C)c1C	93074317	RPMPKKYFUXBTEF-MRXNPFEDSA-N	233.399	4.533	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1ccc(C)cc1	107558337	YWWIRIXRZWDNBZ-LMVHVUTASA-N	202.341	4.845	0	10	BJAE	
CC/C=C\[C@@H](C)Cc1ccc(SCC)cc1	107604574	RADMYWVYHNARKS-FMFIFOJESA-N	234.408	4.943	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](C)c2ccccc21	111898733	WYJGPGQXRYNHKF-CHWSQXEVSA-N	202.341	4.858	0	10	BJAE	
CCCC(CCC)C(=O)[C@H]1C[C@H]1c1ccccc1	128389437	QYUFJLGCUNEUKV-HOTGVXAUSA-N	244.378	4.576	0	10	BJAE	
CN[C@@H](c1ccc(C2CCC2)cc1)[C@@H](C)C(C)C	128760058	FAXBERRCJVLSCF-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
C[C@H](NC1CCC2(CCCC2)CC1)C(C)(C)C	129478711	AJUIKNRFWUTULA-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](CCC)CC[C@@H]1CN	132151313	KCVQCEKNFVZLPG-CAOSSQGBSA-N	239.447	4.604	0	10	BJAE	
CCc1cc(-c2ccc3ccccc3c2)ccc1N	148368148	ZKOBDMQSBUCQBQ-UHFFFAOYSA-N	247.341	4.651	0	10	BJAE	
CC1CCC([C@H](O)C2CCCCCCC2)CC1	158947240	XMZRXWJVXRLTGP-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)C1CCCCCCC1	159023992	UEVONGAGDVWNLN-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1cc2ccccc2o1	159213337	KJJFJVDCVXNSNY-MLGOLLRUSA-N	246.350	4.683	0	10	BJAE	
CCCc1cccc([C@@H](O)C(CCC)CCC)c1	159825840	AVKLVZPPAYKQEN-KRWDZBQOSA-N	248.410	4.889	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](CC2=CCCCC2)NC)C1	161290374	UWFXSNQVOLJVIQ-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC1=CCCCC1	161383966	OFGPLFQFBWCZGB-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@H](O)c1cccc2ccsc12	163172143	VRZXGHYPWHLMJE-AWEZNQCLSA-N	248.391	4.905	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1csc2ccccc12	165071724	QXORGOGQYPONCE-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
C[C@H]1CCC[C@H](C)[C@H]2CC(C)(C)[C@@H]2CC1	167615460	SITKOPDZOGHVLY-IGQOVBAYSA-N	208.389	4.885	0	10	BJAE	
CCC[C@@H](C)CC(=O)C[C@@H](C)CC(C)(C)C	168026928	FXDCIOKVXFYEDE-CHWSQXEVSA-N	226.404	4.844	0	10	BJAE	
Cc1cccc([C@H](C)N[C@@H]2CCCCC[C@@H]2C)c1	203528199	QGWUQMQWKJSYBK-YQQAZPJKSA-N	245.410	4.614	0	10	BJAE	
C[C@H](F)C1(c2cccc(Cl)c2)CCCCC1	220783133	PREJMQGHTGRFBI-NSHDSACASA-N	240.749	4.900	0	10	BJAE	
Cc1cccc([C@H](C)NCCCC2CCCC2)c1	225111115	LISJGEYMZDRHLG-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
Cc1cccc2[nH]c([C@H]3CCCCC3(C)C)nc12	226620944	VLSGIJWQKDRMBT-GFCCVEGCSA-N	242.366	4.555	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C1(C)CCCCC1	233156586	AEEBANWISFKRHX-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCCC[C@H]1c1ccc2c(c1)NCCC2	234061177	RYSXWHJLUUCJBE-XJKSGUPXSA-N	243.394	4.729	0	10	BJAE	
CC[C@]1(c2ccccc2)[C@@H](C)[C@H]1c1ccccc1	251990186	IUDJXXIBCCBBLD-JCGIZDLHSA-N	236.358	4.768	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CCCC2(C)C)C1	300286435	MZIPKTHFOZEQPK-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1cccc(Cl)c1	300828707	BUAQSAAWIGNGJI-NSHDSACASA-N	238.758	4.595	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CCCC(C)(C)C	300838350	JKTUXRGUCOPVKX-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCC[C@](N)(CCC2CCCCC2)CC1	302298101	YYNBPOPLTLDFNE-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
Cc1cc([C@H](N)C2(CC(C)C)CCCC2)oc1C	302320412	GWTABJCUBXPQDI-HNNXBMFYSA-N	249.398	4.503	0	10	BJAE	
Cc1ccc(Cl)cc1OCCCC(C)(C)C	304133113	AOHMUZNWJCANJR-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
CC(C)c1nc2c(s1)CSc1ccccc1-2	304292254	HFSIKZPELVEKEU-UHFFFAOYSA-N	247.388	4.539	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)CCCC(C)(C)C)c1	305905398	FAVZXNHKLHIMQY-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
Cc1ccc2sc(C(F)F)cc2c1Cl	307303075	ODYOGPQXMKQVBZ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CSc1c(Cl)c(C)cc2ccsc12	307645941	ANEHHOSAMIENMX-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@H](CC)CC(C)C	308099452	QOIBYZXKFAOXBC-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](Nc1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2	314577753	FVWHEXISTXRMDB-MROQNXINSA-N	249.785	4.577	0	10	BJAE	
CCCC[C@@]1(CNC(C)(C)C)CCC[C@H](C)C1	318015006	XCBPQXDLNQNLEN-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)[C@H](C)CC)C(C)(C)C	319418701	BFOAVPHPUXFVEX-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCCC23CCCC3)[C@H]1C	328306840	VVEACJNSCDXKEL-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)c1ccc(Cl)cc1	381623270	FXSWZVORBSFPMC-UHFFFAOYSA-N	238.758	4.595	0	10	BJAE	
CC(C)CCCCCC1=C[C@H](O)CC(C)(C)C1	383082001	ABVIBWKGMWBZJL-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
Cc1ccc(NCCCCCC(C)C)c(F)c1	383109486	HNMLYMDAIBMSMC-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CC[C@@H]1CC[C@@H](N)[C@H](CCCCCC(C)C)C1	383385479	NHFZSZLIMOLBFM-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCCC2(C)C)CC1	383511310	LJYUINJLVNKZQU-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@H](N)CC1CCCC1)C1CCCCC1	383961103	HPWCFHJOYMESBB-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@H]1CCCC[C@H]1C	384561732	SFZRDTTVTKOQSE-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)c1ccc2sccc2c1	386217636	JANYWDCUAAWXFY-ABAIWWIYSA-N	247.407	4.583	0	10	BJAE	
Cc1cscc1N[C@@H]1C[C@@H](C)CC(C)(C)C1	387312156	LJDQFLWNYHOLPG-ZYHUDNBSSA-N	237.412	4.683	0	10	BJAE	
Cc1cccc(NCCC2CCCCCC2)c1	394575642	PCVCKWYODIIXNP-UHFFFAOYSA-N	231.383	4.767	0	10	BJAE	
CCc1ccc(CC)c2c(CC)csc12	396207342	PQUZPWVRWZUZKO-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CCOc1cccc2sc(C)c(C(F)F)c12	396242780	NDLUJVWEJFSWTH-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@@H](C)C(C)(C)C	399102300	HYIGDXAEELJLGP-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)[C@H](C)C(C)(C)C	399134733	VTAKXYFMQOASCQ-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
C[C@H](CC(=O)[C@H](C)C(C)(C)C)C1CCCCC1	399145277	HKBUJYNIJIVPGR-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCCCc1ccc([C@@H](N)[C@H](C)C(C)(C)C)cc1	399213071	VSJRZZHZLGULEC-BBRMVZONSA-N	247.426	4.711	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H](C)C(C)(C)C	399304940	KEOPZUIHUPGBSW-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@H]1CCCCC1(F)F	400601124	CPFNAZNYSWIIBM-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CC[C@@H]2C[C@H]2C1	403263800	YNFVFTKWXLHAJA-KFWWJZLASA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCCC(F)(F)C1	688965420	RSPYPDIDYKDIGU-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@H](C)C2CCC2)cc1	692675362	UOAFXBQRSJQZPO-OGHNNQOOSA-N	245.410	4.636	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCC12CCCCC2	693816188	TYLRWEFOMUVIOY-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCc1ccc([C@H](C)N[C@@H](C)C(C)(C)CC)cc1	695098635	MGQYLFOGWQSNQB-KBPBESRZSA-N	247.426	4.724	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)c1cccs1	696187416	RIPNYFZRIQUCSQ-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCCC12CCCCC2	704436746	TXNSPKPTACLHAA-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC(C)=CCC[C@]1(O)CC[C@H](C)c2ccccc21	704898478	WZFRHCFQKLAARQ-YOEHRIQHSA-N	244.378	4.518	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2CCCC23CC3)n1	706288569	JJUWQYUVRXORKL-NSHDSACASA-N	249.423	4.878	0	10	BJAE	
Cc1ccc(F)cc1NC[C@@H](C)CC(C)(C)C	709106765	VSHQPQNCIWABTB-NSHDSACASA-N	237.362	4.618	0	10	BJAE	
CCCC[C@@H](CC)Nc1cccc(F)c1Cl	709699453	ZOVQGOSRWDCGGG-SNVBAGLBSA-N	243.753	4.860	0	10	BJAE	
CCN[C@@H](CC1CCC1)C[C@H](CC)C(C)(C)C	711071643	OAWKCFKGFRXJFU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](C[C@@H](C)C(C)(C)C)NC	711225502	SXSXLXCDBBXWRA-KFWWJZLASA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](NCC(C)(C)C(C)C)C1CCCCC1	713160254	SKNIRGIYNQHQID-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CCCC[C@@H](NCCC)C(C)(C)C	713724315	BSTDGGADRNCWPC-WHLNPGIBSA-N	237.431	4.703	0	10	BJAE	
CCCN[C@@H]1c2ccccc2[C@@H](CCC)[C@H]1CC	714356420	MICSYRJALQIQHX-KEYYUXOJSA-N	245.410	4.651	0	10	BJAE	
C/C=C/C[C@H](CC)c1cc(Cl)ccc1OC	714547077	PTWMFEFKGLYBSY-MALLOTDXSA-N	238.758	4.808	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1CC[C@H](C)C1	718650389	HKXORFACQXHSCP-CWRNSKLLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@@H]1C[C@H]2CC[C@H]1C2	719203767	KNKOWSYOKDEQEN-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H](O)c1c(C)sc(C)c1C	722499661	ZCNDPMONFDEOIK-ZDUSSCGKSA-N	240.412	4.677	0	10	BJAE	
CCC[C@@H](NCC1CCC=CCC1)C1CCCC1	1621534779	AENRBYGNKVMKSH-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](NC1CC2(CCCC2)C1)C(C)(C)C	1652489417	AZBCAEPAFGQFGC-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)CS[C@H](C)c1ccccc1	1652723145	FISOHSJTHYOSSI-NWDGAFQWSA-N	208.370	4.527	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)CCC(C)C	1659253715	ICIYDCGMFGHCCP-LSDHHAIUSA-N	225.420	4.536	0	10	BJAE	
CCC(C)(C)CCC(=O)CCC[C@H]1C[C@@H]1C	1902189933	OZOUBCPIEABQCK-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
C=CC=CCC[C@H](NCC)c1cc(C)c(C)s1	1911951027	YEHQJKMERFNDLY-AWEZNQCLSA-N	249.423	4.538	0	10	BJAE	
Clc1cccc(NC2CC3(CCCCC3)C2)c1	1912702460	YSXKBYRNZUUOQM-UHFFFAOYSA-N	249.785	4.865	0	10	BJAE	
CC[C@H](C)C[C@@H]1CCCCCCCC[C@H]1N	1913404746	PJKXZHDZANNVCX-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCC2(CCCCC2)C1	1915861227	BHWOIUUUYPQOAH-OAHLLOKOSA-N	243.394	4.910	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)c1cccc(C2CC2)c1	1919973711	IYHCDQSICKUVJH-DYVFJYSZSA-N	246.394	4.598	0	10	BJAE	
C[C@@H]1C[C@H](CC[C@H]2CC2(C)C)Nc2ccccc21	1921558642	QCUDMGHZEGJUJZ-RDBSUJKOSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC(NC[C@@H]2CCCC23CCC3)CC1	1921603074	MMVXDORVDGDQIN-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1CC(C)C1)c1cccc(C(C)C)c1	1925131712	PPONTDVVPCFWFB-KVULBXGLSA-N	245.410	4.507	0	10	BJAE	
O[C@@H](CCC[C@@H]1C=CCCCC1)c1ccccc1	1925929221	DEJDNLUOVZSUPJ-WBVHZDCISA-N	244.378	4.637	0	10	BJAE	
CCC(CC)C[C@@H](N)c1ccc(CC(C)C)cc1	1926390376	RZLKNOWFRINUTE-QGZVFWFLSA-N	247.426	4.711	0	10	BJAE	
CCc1cscc1C(=O)[C@@H](C)CC(C)(C)C	1938821899	KCVUYULFJMUZKF-JTQLQIEISA-N	238.396	4.566	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](O)CC(C)(C)C(C)C	1941244978	CCVMTKCIWZHQDZ-GJZGRUSLSA-N	242.447	4.738	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CC1CCC(C)CC1	1941262309	CGHTXFKEFGFSDR-QDIHITRGSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@@](N)(CCCC1CCC1)C1CC1	1941465844	RDSDZTBCPVMAGE-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CCCCCC1CC1	1941573314	MPNNRXYKNHAROI-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)C(C)(C)CC	1941584154	MIYWYERSCMDCOV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CC(C)(C)CC[C@@H]1C	1942657660	OAXGAMDKDARLPT-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@H](O)CCC(C)(C)C)C1	1944199350	MLLAEDGKVLLPFK-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1CCC1(C)C	1945746016	CVMZFZSKUBDBHD-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](CC)(CNCC)[C@H]1CCC1(C)C	1945747317	IJCBOUZDRNVOHW-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCC1(C)C)C(C)(C)C	1945748716	MZRVJLSUWBDAFI-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@H]1CCC1(C)C	1945753255	WSIVFDWBSPFMGC-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCCC12CCC2)C(C)(C)C	1947897024	VVURRBZXWMPYLM-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)NCC(C)(C)CC(C)C	1948329046	YKTLRPZKCUDQFM-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](C[C@H]1CCCC[C@H]1C)NCCC	1948434093	WTOMWPSYRWYQIP-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@@H]2CC[C@@H](C)C2)CC1	1949404782	XFNKWNCPYLYXAJ-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C[C@H](O)[C@@H]1CCC(C)(C)C1)C(C)(C)C	1949420969	JPHYXTDMBXZQBB-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C[C@H]1CCC2(CCCC2)C1)NCC	1949551310	JJHIMBUMPLBBRH-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCC(C)(C)[C@H](NCC)C1	1949658223	AIFHAGNVYUBDQA-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CC1CC(C)(C)C1	1949738445	RBULVCBLNXBOLZ-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCCC[C@H]1CC)C(C)C	1949831718	BOHLWFFJUMZMIU-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC(=O)c1cccc(Cl)c1Cl	1961399758	QSBDJHPLZKSQLZ-UHFFFAOYSA-N	243.133	4.532	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCCCC[C@H]2C)C1	1963183054	PUDBFDXZSVNMDD-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)cc(OCC[C@@H]2CCC[C@H](C)C2)c1	1968307132	DWDHSNTWSZOAHU-BBRMVZONSA-N	246.394	4.899	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC2(CCC2)C1)C1CCC1	1969867779	ZKOAUINWVGGEQA-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@@H]1CCC2(CCC2)C1	1970869092	YAQONOJZTIKJCB-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@]1(CC[C@H]2C=CCC2)CCCCC1(F)F	1979996306	JKMIDCFIDTYOEF-QWHCGFSZSA-N	228.326	4.948	0	10	BJAE	
CCC[C@@H](C)CC[C@@H](N)c1ccc(Cl)cc1	1980691072	YHHGKLJWHGZYHC-BXUZGUMPSA-N	239.790	4.556	0	10	BJAE	
CC=CCCCC(=O)CC1CCCCCC1	1984581273	SVTLGBHBAUKFBQ-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CC=CCCC[C@@H](N)C[C@H](CC)C(C)(C)C	1984650020	STCNGONGLRDZCF-UONOGXRCSA-N	225.420	4.523	0	10	BJAE	
CC[C@@H](C1CCC(C)(C)CC1)[C@@H](N)CC(C)C	1996593893	IHDBDNAOKVVKNH-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC[C@H]1CCCC(C)(C)C1)C(C)C	2000160986	BIWYSVBQXGYRSY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1ccccc1)C(CC)(CC)CC	2000374191	UZABSHBJCQCOBA-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
CCCC1([C@H](CC(C)(C)CC)NCC)CCC1	2000377696	YYNVNDWHSGMPEL-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CCCC1CCC1)CNC(C)C	2000524246	WXLFEYCDHJPPIL-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1CC12CCCCC2	2001254106	ICSTVXDHGYFWNS-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@H]1CC12CCCC2	2001270493	CWJUXESYPDEYPC-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC)[C@H]1CCCCC12CCCCC2	2001579120	SQQIGGGTQNKOMT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@]1(CNC(C)C)CCCC(C)(C)C1	2002979156	OTLGCYXJNKQXQV-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)CCCC(C)(C)C)C1	2003012854	CNYZPTJNWKFQRJ-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H]1CCCCCCC[C@@H]1NCCC	2003113066	ZOFWTFLDCGKLTG-HOTGVXAUSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C(C)(C)C1CCC1	2004227050	KGIHSETVKUJFPY-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](O)C1(C)CCCCCCC1	2004920122	HCVQLWGMDCCNSB-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H]([C@H]2CCC[C@@H](CC)C2)C1	2006673660	MWYCKBYYJXGZSU-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](NC)C1(C)CCC(C)CC1	2007696587	MPAADTJGTCCTRI-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](CC1CC(C(C)C)C1)NC	2007748661	FSDDFHGGYKVKNL-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
Cc1cc([C@H](N)C=C2CCCCC2)ccc1Cl	2007937521	OZHPYQDBGCVBNS-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	2009631082	ZYLNMXNLSSYCJT-GADLPXAVSA-N	237.431	4.523	0	10	BJAE	
C=C=CCCN[C@H](CCC)c1ccc(Cl)cc1	2009767068	DHPDGVQRRNNSBS-OAHLLOKOSA-N	249.785	4.502	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CCCCCC12CC2	2011273361	AUPMEJXUUQCEMQ-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C(=O)CC12CCC(CC1)C2)C(C)C	2012806962	YNXLUMGJJOMJSM-NPCAHTBFSA-N	236.399	4.598	0	10	BJAE	
CC[C@](O)(CC12CCC(CC1)CC2)C(C)(C)C	2012821148	XKYQPTLDDRZEST-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C=C1CCN[C@@H]1C(C)(C)C)CC	2014550596	UBJSRLQWNSDEBE-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCC1(O)CC(CC(C)(C)C)C1	2014655071	IJBVBYVHAAXPMD-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H](C)[C@@H]1CCC1(C)C	2014942121	KGXMKDJMWNSNAH-AJNGGQMLSA-N	239.447	4.616	0	10	BJAE	
CCCC1([C@H](N)CCC(C(C)C)C(C)C)CC1	2015359811	YIFAXYVXQDQIFQ-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C1=CCC(C)(C)CC1	2016117186	LPCCVDUOWHZAHA-MRXNPFEDSA-N	235.415	4.587	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@@]2(C)C[C@H]2C)CC1	2016300206	ALDPMGVNWRFECV-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@H]2CCC2(C)C)CC1	2017655767	PKWQQCQLZHHYCC-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(C[C@H](O)CC2(C)CC2)CC1	2017771169	KNDMOHGPOOBMQI-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2CC[C@H](C)CC2)C=CCCC1	2017776346	NVRUQZGWXRZKHO-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC1CC(C)(C)C1	2019189055	UXCKHJZGEHJXMP-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@@H](C)C(C)(C)CC)C1	2019199871	MVLOTKDBARURSC-ZNMIVQPWSA-N	239.447	4.712	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(CC(C)C)CC(C)C	2019201419	SHXSTDGGKVAKRN-HZPDHXFCSA-N	239.447	4.569	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@@H]1C=CCCCC1	2019503194	MNIMRNZMNNMAGK-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@@H]1C1CCCCCC1	2022438601	GQGDFILTEXPFOF-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](N)C[C@H]1C[C@@H]1C1CCCCC1	2022485795	ULTRQMOXQHPXIK-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC(=O)C[C@H]1C[C@@H]1C1CCCCC1	2023319133	LXEGWLOVJOCQHP-GOEBONIOSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CCC[C@@H]1C	2023324971	OJYPMLLECAREHF-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](C)C[C@@H]1NCC	2023617206	RDVYLWSPSUJLNG-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCCC(C)(C)C1)C1CCC1	2024092681	UASHCNZNDMZRQY-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H]1CC(C)(C)CC[C@@H]1NCC	2024126380	WSZZFRMAQBKAHQ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCCC(=O)[C@H]1CC1CCC(C)(C)CC1	2024604435	CCVOCINCVNHLHW-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@]2(CC1)Nc1ccccc1O2	2027873989	CYESUOXRGQCYCV-CJNGLKHVSA-N	245.366	4.568	0	10	BJAE	
O=C(CCCCCC1CC1)C1CCC2(CC1)CC2	2028633828	LYWHZGDVMHGJTK-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@H]1CCCC2(CC2)C1	2028646039	UVSSENUJXQIFKG-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](N[C@H](C)[C@H]1C[C@H]1C)c1ccccc1	2029889361	XLVGXGVVHAYUKZ-JHNDHUHGSA-N	245.410	4.552	0	10	BJAE	
CCC1CCC([C@]2(N)CC[C@H]3CCCC[C@H]32)CC1	2034255918	GIPIAMOUHQUBBB-GLUHHBOGSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CCCCCC2CC2)CC[C@@H]2CCCC[C@@H]21	2034260469	UWYYMCMKJWMTTK-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CCC1(C[C@@]2(N)C[C@@H](C)CCC2=C(C)C)CCC1	2037104520	OVUPSXIJAYHXET-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1coc2ccccc12	2037125637	KUWCDBPSOKEYFI-HNNXBMFYSA-N	245.366	4.649	0	10	BJAE	
CC1CCC(C(=O)[C@H]2CCC3(CCCC3)C2)CC1	2037671025	ANGGPBSHMYAFFT-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@@H]1CC12CCCCC2	2039079849	VMXNGLUEZJXZHF-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H]1CC[C@H](C)C1	2040143397	VESQPKGXOIATDL-UONOGXRCSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1CC[C@H]2C[C@@H]21	2040234861	FSPMKJZOJFQXFX-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(CC[C@H]2CC2(C)C)CC=CCC1	2042096779	OSAARFDHVAKTAR-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
C[C@@](N)(CCC1CCCCC1)C1CC2(CCC2)C1	2043541559	TWZDRLTXXACRKF-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC([C@](C)(N)[C@H]2CCC3(CCCC3)C2)C1	2043551865	ZZNMJVKKOJYHMH-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1O[C@H]1CCCC(C)(C)C1	2045461242	YWCSIEUXJXPMTN-HNNXBMFYSA-N	246.394	4.987	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@@H]1C(C)=CCC[C@@H]1C	2045811096	TYXRJHBZSKHPAF-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
NC1([C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCCCCCC1	2047353171	JLJPPSVJEHVGPV-BZUAXINKSA-N	249.442	4.645	0	10	BJAE	
CCCCC1CCC(N)([C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2047356111	BIOJBBGAWIWLSH-CUQMJCILSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(CC2(C)CCCC2)CCC12CCC2	2047943980	VNPIROXAKWAMQM-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
C1CCCC(CCN[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048381094	BBYHECCRLAHIBH-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC([C@H](C)N[C@@H]2CC=CCC2)CC1	2049425190	PNZRUJKDFWTMOF-ZGRYLRDCSA-N	249.442	4.680	0	10	BJAE	
C[C@H](N[C@H](C)[C@@H]1CCC[C@@H](C)C1)c1ccccc1	2049530391	WKRJWIRSXKEJNR-JYYAWHABSA-N	245.410	4.552	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)C[C@@H]2CC23CCCCC3)CC1	2049681940	QSZVBFJWFXJLAT-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2CCCC3(CC3)C2)C1	2049949703	AWCMKQRRXYHKAB-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@]12C=C[C@@H](CC1)C2	2049997996	RVSQVQXZILGKPP-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)c2ccc(F)cc2)CCCCCCC1	2052475241	JAESKTNVHIUSJI-OAHLLOKOSA-N	249.373	4.576	0	10	BJAE	
N[C@@H](CC1CCCCC1)[C@@H]1CCCCC12CCC2	2053411672	LGEVLRKUYIQHII-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@@]2(CN)CCCCC23CC3)CCCCC1	2053419230	RVPUDZTYDDRPCN-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC[C@H]2CCCCC23CCC3)C1	2053435543	DJJUDVFUNRMYSV-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)C2(C)CCC3(CC3)CC2)C1	2056552798	NICMNDJRRDAYEA-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H](F)C1CCCCC1	2058032030	WWQRIDOQYKSHBS-OAHLLOKOSA-N	249.373	4.634	0	10	BJAE	
CCCN[C@@H](C1=CCC(C)(C)CC1)[C@H]1CC1(C)C	2061088227	LOLPKTUHAXSPGY-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N)(CC[C@]23CCC[C@@H]2C3)C1	2061616010	IDYCYKJOKLGWJM-GMRIPVOYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC[C@@]12CCC[C@@H]1C2)CC1(C)CC1	2061637686	LKVFAAZSCVWHNX-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
O=C1C[C@H](C[C@@H]2C=CCCCC2)CC2(CCC2)C1	2063727563	XICYBRAGSQFLQD-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C12CCCC1CCC2	2063831645	XPEGHLRHTJDKBR-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)C2CC3(CC3)C2)CC1	2064497316	JBTDYYTUDHDSEV-LZWOXQAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CC1CC(=C2CC2)C1	2066056009	PNNGSVVWDVEEBQ-KRWDZBQOSA-N	249.442	4.633	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CN[C@H](C)C2(C)CCCC2)C1	2067570610	NXBULWMKFXMNSH-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068698303	JDDDSCQSJLMQEE-PHZGNYQRSA-N	248.410	4.742	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCCC23CCC3)CCC1	2069281501	YCTONDOIQWYKRV-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@]3(C(C)C)C[C@H]23)CCC1	2069343231	XLQWUZFAEMRJRQ-USXIJHARSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC1CC(C)(C)CC(C)(C)C1)C1CC=CC1	2070807765	MJDHLDBTTFTMCA-ZDUSSCGKSA-N	249.442	4.536	0	10	BJAE	
CCC1CCC([C@@](C)(N)C[C@]23CCC[C@@H]2C3)CC1	2070925806	JPMUVFHQRFISNQ-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2072704701	QJDVKNRRHBBIND-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@@]23CCCC[C@H]2C3)CC1	2072802364	WYAWNDBNQYGWBW-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H]2C(C)=CCC[C@@H]2C)CC1	2074638027	AQCAULQFSBGLDZ-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(N(C)C[C@@H]2CCC[C@@H](C)C2)cc1	2074857582	SZNSRLZQPWHTBM-GDBMZVCRSA-N	245.410	4.512	0	10	BJAE	
C1=CC[C@@H](CN2CCCC23CCCCCC3)CC1	2075168397	QZODKBCMAXQXDE-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CCCN[C@H](CC[C@H](C)C1CCC1)c1ccco1	2075809769	BIDUXFCMFZVDBT-DZGCQCFKSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@H]1C[C@@H]1C(C)C	2079429655	YGOHSQCYKDUIDM-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
C1CCCC([C@@H]2C[C@@H]2NCCCC2CCC2)CC1	2079529864	MSUOSDONIUQIET-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2C[C@@H]2C2CCCC2)C1	2079667573	XWUBSGILWGYTAC-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)C[C@H]1CCC12CCC2	2079849815	BAUCGDICWSNFRY-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2079864330	MGGFKYYIEPRVEV-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(CNCC=C2CCC2)CC(C)(C)C1	2081674812	MVVQWXUPXZXJAX-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@]23CCCC[C@H]2C3)C1	2082986536	MXOVFMBNUYQRQP-JKIFEVAISA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1ccccc1CC	2086045135	UFYRMRDNJNMBND-YOEHRIQHSA-N	248.410	4.889	0	10	BJAE	
CCCCCC[C@H](CCC)CNC1CCC1	2212576101	IXTMZDDGACBWQV-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)CCCCCCC1CC1	2213579706	VJVMXAKDHLYEPV-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1C[C@@H]1[C@@H](N)CCCCCCC1CC1	2213581852	BCTFYLRVHNPUJU-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)c(NCc2scc(C)c2C)c1	2213637163	OZRKUDCZFGNPKT-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
Cc1ccc(OCC2(C)CC(C)(C)C2)cc1C	2215431084	MCLJFPQRHCTWSX-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CCCCC(F)F	2216485511	QRUMVQWTMPFGKD-CYBMUJFWSA-N	249.389	4.570	0	10	BJAE	
CC[C@H](C)[C@](C)(N)CCCCCCCC1CC1	2216860171	MLYOLZQGUPTRMI-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCN[C@H]1CC[C@@H]1CCCCCCCC1CC1	2216877875	QWXYPAOXWUGTMB-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC(C)(C)CC)C=CCC1	2217149102	HLJVVEUSLWPYKJ-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H]1CCc2cc(C)ccc2N1	2217467533	FYYWDVUOLFPYIB-OAHLLOKOSA-N	231.383	4.548	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)c2cccc(C)c2C)CC1	2221644785	VCHIKRXXIFZHDZ-QGZVFWFLSA-N	242.362	4.623	0	10	BJAE	
Cc1cccc(C)c1C(=O)C1(C(C)(C)C)CCC1	2221938046	AUCVNINONAATML-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)[C@@H]1CCCCC1(C)C	2221993171	IGINPLCIRCYDEB-GOEBONIOSA-N	245.410	4.520	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C[C@@H]2C=CCCC2)C1	2222253388	ZICCBHGTNVAACF-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	2222969139	ZGGOHVPFFGVHLT-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CCN[C@@H]2CC[C@@H]12	2223158229	HNDVPTZZLSQFEY-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CCCC2)CC12CCCC2	2223540992	DUQLBKIGQXPZNR-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](C)[C@H](N)CCCC(C)(C)C)cc1	2223963564	JXAGQXPMIZIHMS-GDBMZVCRSA-N	247.426	4.642	0	10	BJAE	
CC(C)=CCCc1sc(C)c(C)c1C	2241336534	DUKRSLBWPRJRPY-UHFFFAOYSA-N	208.370	4.572	0	10	BJAE	
CC1CC(C)(CC[C@@H](O)CC2CCCCC2)C1	2246517990	GYKHBXPANTXHRG-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(N)(CC[C@@H]1CCC[C@@H](C)C1)C(C)C	2246723551	AHDFYJCJHQNKSP-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(C)CCC[C@]2(C)O)C1	2246731284	ZPCZWVVEXDMWBA-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c(NCCCC[C@@H]2C[C@@H]2C)c1	2247116229	NWRGRGAAMNCSGV-LSDHHAIUSA-N	231.383	4.542	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@](C)(N)C1CCCCC1	2247175238	IRWWONZJSLAABQ-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@H](O)CC1CCCCCC1	2247408406	QWHNBCNHMPXFNQ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C)NCC[C@H]1CCCC12CC2	2247598515	CRJDKJNWMVDKAS-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](N)(CCCCC[C@H]1C[C@@H]1C)C1CC1	2248879080	LHOIVFZIQODASM-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC[C@@H]1CN	2250531065	WPJRWKASHHKCIM-ARFHVFGLSA-N	239.447	4.604	0	10	BJAE	
CC1CC(C)(CC2(CNC3CC3)CCCCC2)C1	2253675296	XQUBZUCPJFZIOI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C=C1CN[C@@H]2CCCC[C@H]2C1)CC(C)(C)C	2253816399	WSOQUCSPSNGMFB-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc2c1N[C@@H](CCCCC1CC1)CC2	2253873260	KQNBMYUUCUSQRL-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@@]23CCCC[C@@H]2C3)C1	2253930117	LVEIWBWIEALHOG-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@@H]1CCC12CCCCC2	2254504243	SMGGAPYDSOMOQJ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCCC12CC2)C1CCCC1	2255277944	JOXHGGOJIONZRZ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@@](O)(CC[C@H]2CCCC23CC3)CCC1	2255319296	CPUGXKWKGNCGRJ-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)cc(C)c1C	2258234744	DKCSANMSCTVRDC-MQIPJXDCSA-N	245.410	4.848	0	10	BJAE	
Cc1cc(NC[C@H]2CCCC[C@H]2C)cc(C)c1C	2258236207	HKHXFOPWYXJDSN-MLGOLLRUSA-N	245.410	4.850	0	10	BJAE	
CC(C)C(Nc1cc(C2CC2)ccc1F)C(C)C	2259125982	KCMBLCUZZHYBHY-UHFFFAOYSA-N	249.373	4.796	0	10	BJAE	
CCCC1(C[C@H](NC)[C@]23CCCC[C@H]2CC3)CC1	2260491594	PRRUBVFECXNMLC-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@]12CCCC[C@H]1CC2	2260584487	VMRLKLKFAPFDFO-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)C[C@@]12CCC[C@@H]1C2	2297876718	REKMBHUNRZAKFT-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1C[C@@H]1CCC	2300883004	ZSGTVCVFLYTHHE-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC2CCCCCC2)C1	2301137197	GAJDRWQAWIZIEV-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2CCCCCC2)CC1	2301242089	OWAQFJHXRBNAAX-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC(C)(CC(F)F)C(=O)CC1CCCCCC1	2301244395	MCTQWKRMOYXGJB-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC(C)CNCCCCCCC1=CCCCC1	2302358931	LLWBCIVVUFLDIQ-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@@H]1CCC(C)(C)C1	2302752274	CBOCZMXTXMQUML-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC1(C(=O)C[C@@H]2CC[C@H]2C(C)(C)C)CCC1	2303452286	LVTYLNDILWEEPY-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CCC(=O)C1CCCC1	2303452536	NPZSVPISRREZKT-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H]1c1nc(C2CC3(CC3)C2)cs1	2304457619	HWKTXTNKBCKNIJ-JQWIXIFHSA-N	247.407	4.704	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@H]1C[C@H](CC)CCC	2307902526	LFSYGAXRGYZXQP-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309187217	FXHGRCLMFSLMIE-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2310179213	IITBKQNWZARMRY-TUVASFSCSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CC[C@@]2(C(C)C)C[C@@H]12	2310848440	CBAUKWSPSDYKAT-QAETUUGQSA-N	249.442	4.536	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@H]2CC[C@@H]3CC[C@@H]32)c1	2311331211	DNUSDNSQTVEWJV-QRTARXTBSA-N	241.378	4.555	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)CCC[C@H]2CCCC[C@H]21	2311717437	BVPUPCDXYDQZFS-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2313330723	OSRCBZWLUYKXIA-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@@H](N)C2CCCCCC2)ccc1C	2314653741	RODMJWGDLQCCHD-KRWDZBQOSA-N	245.410	4.528	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CCC12CCC2	2316501359	DOWVCFDWTXSXMO-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H](C)c1ccccc1	2316504016	SSJDVBSQDHYNJC-NVXWUHKLSA-N	245.410	4.515	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)[C@H]1CC=CCC1	2316873983	JEWZCKGLWYYZJL-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCCCC1	2316880212	IHMBHVCVGYTPPC-ACHSLPGTSA-N	249.442	4.610	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CC1CCCCCC1	2316883111	GFCAIMVXAHCVHW-USXIJHARSA-N	249.442	4.667	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C1[C@@H]2CCCCC[C@@H]12	2316884038	FUBYFQUZUGEDKX-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@H](N)[C@@H](C)[C@H](C)C(C)C)cc1	2317825234	WIVYEPPORIQOQB-JKIFEVAISA-N	247.426	4.567	0	10	BJAE	
CN[C@H](C[C@H](C)[C@@H](C)C(C)C)c1ccccc1C	2317830254	GDUQIYSKWSBKAL-YQQAZPJKSA-N	247.426	4.574	0	10	BJAE	
CC(C)C1CC(CC(=O)CCC2=CCCCC2)C1	2317943273	XXGZBWKCCWNKOE-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1[C@H](Nc2cccc(C3(C)CC3)c2)CC1(C)C	2318242630	TYFBISRWIYCSNL-IUODEOHRSA-N	243.394	4.585	0	10	BJAE	
CCCC1(NCCCC2=CCCCC2)CCCC1	2318578698	BXIAVGYOYLHKIV-UHFFFAOYSA-N	249.442	4.970	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C[C@@H]1CCC(C)(C)C1	2319028154	AMUWQIIVTPBOPW-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCC(C)(C)C1)c1ccccc1	2319118868	OFAMGEZJWFXQNC-UONOGXRCSA-N	244.378	4.576	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CCCC[C@@H]2C[C@@H]21	2319331381	JBKFOLZGDRECSC-HYVNUMGLSA-N	241.378	4.555	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1CC[C@H]1C1CC1	2319579149	QDOFAHUQGYELQH-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@@H]1CC[C@@H]1C(C)(C)C)c1ccc(N)cc1	2320242217	AQBAOHQREPTSHD-INWMFGNUSA-N	245.410	4.835	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2CC[C@H]2C(C)(C)C)c1	2320255297	VQSPSIRPSONPIC-HUUCEWRRSA-N	246.394	4.755	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCCC(C)=C2C)CC1	2320328142	OSPCFOBRKKSKNR-IAGOWNOFSA-N	247.426	4.731	0	10	BJAE	
CN[C@@H]1C[C@H](C)C[C@H](C[C@H]2CCC(C)=C(C)C2)C1	2320387489	HLPRFGLMQKFZJW-VJUNAUMWSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@]23CCCC[C@H]2C3)CC1	2320413701	UJBBBHGSQRAHRG-VYDXJSESSA-N	246.394	4.662	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2320422436	HBOIGFNVJUBUNO-CAOSSQGBSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1cccc(NC2CC(C3CC3)C2)c1F	2327800967	DCWAEBKBDNXIFT-UHFFFAOYSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1ccc(C2CC2)cc1	2328211693	AVHRCMKKPICLCX-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc2c(c1)CCC2	19994281	YQPWYDLHVGNMQS-CZUORRHYSA-N	245.410	4.802	0	10	BJAE	
Cc1cc(F)ccc1NC1CCCCCCC1	21013007	LNNPVEBUDWOKDN-UHFFFAOYSA-N	235.346	4.659	0	10	BJAE	
CCC[C@@H](C)Nc1ccccc1C(C)(C)C	36956559	XGJOGICLUATVMR-GFCCVEGCSA-N	219.372	4.585	0	10	BJAE	
CC(=O)c1ccc(-c2cccc3ccccc23)cc1	38069580	IVHLEJJADHFCDG-UHFFFAOYSA-N	246.309	4.709	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@H](C)c1ccccc1	68874104	ILUAMCVWURNBTM-YQQAZPJKSA-N	248.410	4.758	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](NCCC)C1	80406439	FJIMLMYXKZBUTD-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H](C[C@@H]2CCc3ccccc3N2)C1	86317646	DBVQPAAKLDAEKU-LZWOXQAQSA-N	243.394	4.630	0	10	BJAE	
Cc1cn(-c2ccccc2)c2ccc(Cl)cc12	90493662	IAXLZEVLGYFCNX-UHFFFAOYSA-N	241.721	4.592	0	10	BJAE	
Cc1cc(N[C@@H]2CCCCC2(C)C)ccc1F	94279416	MVEHEFLJIYKZFS-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
C[C@H]1C[C@H]1NC1CCCCCCCCCCC1	103971709	IVQBDDOGIHZBDK-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
CC(C)(C(=O)C1CCCCCC1)c1ccccc1	127777965	ZMMGXLSVSIGKDX-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H](C)c1csc(-c2ccc(C)cc2F)n1	132196029	WDMRCCQVJSJOTN-SNVBAGLBSA-N	249.354	4.771	0	10	BJAE	
CC12CCC3(CC1)C(=CCCC3(C)C)C2	136957899	UMLOXPMLISZBGS-UHFFFAOYSA-N	204.357	4.703	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H]1CC[C@H](CC)C1	148421526	OKXUDYIPTBJASE-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C)CC[C@@H]1CNCC	155941721	KZBXHOMZCWJHHZ-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](O)C1CCCCCCC1	165775498	NZSJAENPTLXXII-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
FC(F)c1ccc2ccccc2c1C(F)F	196750166	VEXINVAPAJSMFN-UHFFFAOYSA-N	228.188	4.715	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)C1CCCCC1	225976528	IFMWRRADLMZXIR-GDBMZVCRSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C2CCCCCC2)C1	227359541	NMTPTTRZNIMCML-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](O)CC1CCCCC1	229229069	GKDQAQPESVUWKQ-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H]([C@H]1CCCC[C@H]1CC)C(C)(C)C	250384929	GREAVMQNTFIBJA-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCCCC1(C)C	251788006	JPVORHNLCPOSGS-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC[C@]1(C)Nc2ccc(Cl)cc2[C@@H](C)[C@H]1C	258119736	JMDDEOQLKLXSLV-RBZYPMLTSA-N	237.774	4.674	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1C(F)(F)C1CC1	259002251	MZNHRFNPSBJDDS-UHFFFAOYSA-N	238.321	4.794	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](C[C@H](C)CC(C)C)C1	302265478	CIAUFJAFWUBNFK-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCC[C@H](C)CC(C)C)C1CC1	305917498	HAVNCYLEXDYSNF-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)CCC1CCCC1	305940888	LJWVBVCNYVBHJM-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@H](C)CC(C)C	305975281	QNSAALXSIZVENG-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)Cc1ccc(C(C)C)cc1	306022342	OEXKSVOKTTZNTF-YOEHRIQHSA-N	247.426	4.506	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](NC)c1cc(C)cc(C)c1	308077252	WQWHWSDPEOPPCA-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
Cc1cccc(C(=O)[C@H](C)CC(C)C)c1Cl	309145800	IUUJCDRHNYDTLL-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
CC1CCC(O)(C[C@@H](C)C2CCCCC2)CC1	310204235	BIULQMSUXSACKH-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CCC1CCCCC1)C[C@@H]1CCCCN1	310250596	NXMDWSBBIPJIRQ-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC1(CNC)CCC(C)(C)CC1	317067868	SKZJFSRKNPTCQN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](NC(CC(C)C)CC(C)C)C1CC1	324090689	HDVDGLZJWHRKLK-MRXNPFEDSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)[C@H](C)CC(C)C	380114444	ALYWTTCJFWRSGB-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCCNCC/C=C(\C)C[C@@H]1CCC[C@@H](C)C1	383518617	MYQSXQHZYWMIPS-DGCUZWNNSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@H](O)c1ccc2ccccc2c1C	384406454	PXLXTKSVDKBEPW-KRWDZBQOSA-N	242.362	4.762	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)c1ccco1	385109547	CQWHKZDPHQCBBT-HNNXBMFYSA-N	247.382	4.601	0	10	BJAE	
CCCN[C@H](C1=CCCC1)C1CCC(CC)CC1	385522382	PRDRYWQKJWEEGC-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CNc1cccc2ccsc12)C(C)(C)C	386246957	QIFWRENGDSVAHV-LLVKDONJSA-N	247.407	4.995	0	10	BJAE	
CC(C)C(C)(C)CNCCC1CCCCCC1	394565432	ILJYODWAJKPSTF-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H](NCCC2CCCCCC2)C1	394572233	MLTQQPSMYTXSCD-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCOc1ccccc1NCC(CC)(CC)CC	395243628	VHLBFMSCXJWCED-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CCOc1ccc(C)c2cc(C(F)F)sc12	396236615	HTJRYDWOGLVUMC-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@@H](C)C(C)(C)C	399137124	XLVGTWZBJXLEEH-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C1CC1)C(=O)c1ccccc1	405972477	GADNDWFZWBWOPD-CYBMUJFWSA-N	244.378	4.722	0	10	BJAE	
CCC[C@H](C)C(=O)C1CC(C)(C)CC(C)(C)C1	688307242	CXZNKYOHFFXBMR-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@](C)(O)CC2CCCC2)C1	689769617	UOCJXDJHZZTXFR-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)Nc1cccc(C2CC2)c1	690160213	QSRIFGTYVCGUJA-OAHLLOKOSA-N	231.383	4.945	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1N[C@H]1CCCCC[C@H]1C	691092590	YKQMQNGWNFCEOB-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@@H](C)C(C)(C)C	691106779	WJTSAEULFDCMDW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CC1(C)CCCC1	691185880	LYDFVQCPVUYAKU-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC1(C[C@H](N)c2cccc(C(C)(C)C)c2)CCC1	691655500	WRMTWCJKTLDPKR-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C1CCC2(CC1)CC2	695607972	VIACTDPVQRALKQ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)CCNCc1ccc(C(C)(C)C)cc1	696173900	JGXULILYYOJGJN-CQSZACIVSA-N	247.426	4.510	0	10	BJAE	
CCCCc1ccc([C@@H](N)CC(C)(C)CC)cc1	696562347	VUWRZWBKKPEKCZ-INIZCTEOSA-N	247.426	4.855	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CCC(C)(C)CC)C1	696734915	BXKDOLONEOCDBK-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCCC[C@@H]1C	696780952	HSQRKBWPGMMDBC-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CCNCCC1CCC(C)CC1	696784564	YFCLPZACNNQKBZ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](NC[C@@H](C)C1CCC1)c1ccccc1	703041144	VGTIWEKMFJRBAX-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cc(C(C)(C)C)ccn1	703861033	BBYDLYJHPYSUJK-GFCCVEGCSA-N	248.414	4.616	0	10	BJAE	
C/C=C/[C@@H](NCCC)c1cccc(C(C)(C)C)c1	704669107	YLCVJLOJHSRQAC-YXMGTMDOSA-N	245.410	4.601	0	10	BJAE	
Cc1cc(C)c(NC2C[C@H]3CC[C@H](C2)C3)c(C)c1	704785184	ALWFVIYVSZZASS-GJZGRUSLSA-N	243.394	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](N)(C1CCC1)C1CC1	705337950	OJSYBJGJCKJYKE-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@](N)(CC)C1CCCC1	707604457	MACNBGSJHCGKBM-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)C12CCC(CC1)CC2	710319487	BOLUJIAYACLQMC-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC(=O)CCC(C)(C)C)C(C)(C)C	711173984	BZEZNFBDFGTEQF-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
C[C@H](C[C@@H](C)C(C)(C)C)C(=O)c1ccccc1	711208374	OKAHDJQRZINGGB-CHWSQXEVSA-N	232.367	4.578	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CC(C)(C)CC[C@@H]1C	713063368	FCZVNUKRTXQMIC-NHYWBVRUSA-N	249.373	4.761	0	10	BJAE	
N[C@H](CCC1CCC1)[C@@H]1CCC[C@H]2CCCC[C@H]21	714425882	UMGNKADSEQAHLZ-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1ccccc1OC	714549447	FSYBZBDWGGPICT-KTRBRXNASA-N	218.340	4.545	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H](C)CC(C)C	718504787	FPUUAWSNWQEQOV-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1cccc(C)c1C	718570385	BUBDRAAYJUJWFX-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)CCC1CCCCC1	718698863	INRWKTGVKXZQNW-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1C[C@@H]1CC)NCCC	723096810	UXTVNYBQDOAUCX-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)S[C@H]1CCCc2ccccc21	1307292259	FPESJUHBPDIHDV-RISCZKNCSA-N	220.381	4.596	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1ccc(F)c(C)c1	1474075459	KCONTXQNHRYMFI-WFASDCNBSA-N	247.357	4.538	0	10	BJAE	
CCC[C@H](C)CCN[C@H](CCC)[C@H]1CC1(C)C	1658815590	JFPQIBDNFWEBSY-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(O)(CC)CCCCC1=CCCCC1	1901963642	BYIHHXRVGKYXHZ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](C)c1cccc(N)c1	1905364037	XUCYQLZURXQJML-STQMWFEESA-N	219.372	4.589	0	10	BJAE	
CCSc1ccccc1NC[C@@H]1CCC[C@H]1C	1905721954	CQRVMXCDQUPBOX-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H]1CCC(C)(C)CCC1=O	1908593566	BADISHXIRMIWLR-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1C[C@H]1CC)NCCC	1909579102	BAZDKYGERNQHGH-UENUHNEHSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@H](C)C(C)(C)C)CC1	1909703089	KBUYFQMVBARUQM-ZQDZILKHSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)CN1C[C@@H](CC)CC[C@@H]1C	1909988559	UZLFTIBVTHKQNK-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)CNCC=Cc1ccccc1	1911809452	RSSOEGZMMQKSID-INIZCTEOSA-N	245.410	4.506	0	10	BJAE	
CC(=CC1(C)CCCCCC1)CNCC(C)C	1912071729	OAWRCEQDMWBOGC-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)(CC[C@H](N)C1CC2(CCCC2)C1)C1CC1	1912607425	SCEODNJYOUATLU-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](N)C1CC2(CCCCC2)C1	1912630036	HATNRXORGPJXGI-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCN[C@H]1CCC2(CCCC2)C1	1916436391	IAXSSFPVNOWARN-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	1917349088	GJGHUTLQJRFWDK-XJKCOSOUSA-N	243.394	4.585	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1CC(CCC)C1	1921181368	VWSAFFVFTMRQHD-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CCCC1CC(CN[C@H](CC)C[C@H](C)CC)C1	1921225848	VJVBVZAPRKTYMQ-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NC[C@@H]1CCCC12CCC2)C1CCC1	1921615187	KSUGDOZTGBZLQQ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NC[C@@H]1CCCC12CCC2)C1CCC1	1921615194	KSUGDOZTGBZLQQ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C[C@H]2C=CCCCC2)c(C)c1	1925819882	NBVHACQEXPZSEW-HNNXBMFYSA-N	214.352	4.592	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)CCCC1CC1	1941584643	PXXGZRDLMYHAAX-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C12CCC(CC1)CC2	1942653545	RKRHIIMMSPYUDZ-HLIUYOAVSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@@H](C)CCC(C)C	1942656329	AWAUWMMQDJXMBY-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)(C)C)C(C)(C)C(C)C	1944668115	KHBKMURBTSAXRK-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1CCC(C)(C)C1	1945581638	HELJQKLIOOOBOW-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cccc(C)c1C	1947464801	QTGCWCGRHHEFRI-HOCLYGCPSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2(CC)CCC2)CC1	1948981374	QUFZMHIHPZCGEN-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C[C@H]1CCCC[C@H]1CC)C(C)C	1949831716	BOHLWFFJUMZMIU-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(NC[C@H]2CC23CCCC3)c1Cl	1950668190	KTDZGOYDYBFXDP-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@H]2CC23CCCC3)c1	1950668888	PVRCCFLKAZODGV-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)[C@@H]1CCC[C@@H](C)CC1	1950910535	HLPBKVMZLINWKA-QXSJWSMHSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)CN1CCC[C@@H]1c1ccco1	1964139079	ZEYOYAIISLETAO-HUUCEWRRSA-N	249.398	4.633	0	10	BJAE	
CC1(c2cccc(NC[C@H]3CC=CCC3)c2)CC1	1966013442	HEVQOIQOQRIYLE-AWEZNQCLSA-N	241.378	4.506	0	10	BJAE	
C(CCC1CC1)CCN1CCC[C@@H]1C1CCCC1	1966161186	PINCHFRBXNDRJI-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(C)cc(NC2CC(C)(C)C(C)(C)C2)c1	1968308139	SOFAZQALCDNXQX-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
CCC[C@@H](CC)NC1CCC(CC)(CC)CC1	1969089049	PDHMNIDNZXLMKC-CQSZACIVSA-N	239.447	4.904	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@@H]2CCC3(CCC3)C2)C1	1970084929	BRVRKLPNJMPXAG-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)C(=O)CCC1CCCCC1	1976009282	WMRBUZWMLCKSOF-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CN[C@H](CCCC(C)C)CCCC(C)(C)C	1978480556	FFAGQOOZMZQXFQ-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC=CCCC[C@@H](N)C[C@@H](C)CC(C)(C)C	1984629813	KYNZRPFYLXGTSX-ZIAGYGMSSA-N	225.420	4.523	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC1CCCC1	1995262547	OLWYNOGSRQAJFO-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
Cc1cc2c(C3CCCC3)coc2cc1F	1995498252	MLZFOGJFNMXULB-UHFFFAOYSA-N	218.271	4.538	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)C1(C)CCCCC1	1995990285	GDWRKGUAOOOIBF-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC2CCC2)CC1	1997104909	LCLYILMJLXDGSM-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)CCC(C)(C)C)CC1	1997189265	UKTQBXOTLIKLOJ-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCCC1([C@@H](CCC(C)=C(C)C)NC)CCC1	2000319643	JJOVVVSNWYQXGM-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@](C)(CNCC)[C@H]1CCCC(C)(C)C1	2000514827	OFRNLVPDXXRQCI-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](CC(=O)CC1(CF)CCC1)C(C)(C)C	2001153122	GOLZATYIRSRCGY-LBPRGKRZSA-N	242.378	4.548	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CC12CCCC2)NC	2001211708	UEYSYSHHRDPZEJ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2002221003	PGFXFWVIUNTEJH-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@@](C)(N)[C@@H](C)C(C)C)CC1	2002920472	FBCZYDHPEHGOEU-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@H]1CCCC2(CC2)C1	2003220899	LCVBWQWFAFXPEC-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C[C@@]1(C(=O)CCC2=CCCCC2)C=CCCC1	2003335500	UFKWXDXRDHRQNS-MRXNPFEDSA-N	232.367	4.583	0	10	BJAE	
CCCN[C@@H](CC[C@H]1C=CCC1)c1cccs1	2003678770	GBJWZJMBYSSJFY-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
C[C@H](N[C@H](C)C1(C)CCC1)C1CCCCCC1	2004836915	ZMJKBHLMMDFHHQ-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@H]([C@H](N)C2(C)CCCCCCC2)C1	2004921936	BNQYYCGYTDYNNN-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(CO)CCCCC1(C)C	2005586410	NOVZUUAESGJDQN-ZBFHGGJFSA-N	240.431	4.638	0	10	BJAE	
Cc1ccc(Cl)cc1NCC[C@]12CCC[C@H]1C2	2010994591	HQAIVTZPCQTGIG-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)C[C@H](C)CC(C)(C)C	2013305002	YFCQLJJYMFBWMS-HUUCEWRRSA-N	241.463	4.815	0	10	BJAE	
CCCCCC[C@](C)(N)CC1C[C@@H]2CC[C@H]2C1	2015235737	FDCFRAIZVDQAAA-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](O)C2CCCCCC2)CCC1	2015639001	BEWFBYLJXXVIAA-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC[C@@H]2C(C)C)CCC1	2015644118	JODRPYKNNHYHAC-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CNc1ccccc1C(C)C)C(C)C	2016105305	DHUCBYXHGAFJBX-AWEZNQCLSA-N	233.399	4.904	0	10	BJAE	
CC(C)CCCC(=O)CC1(C(C)(F)F)CCC1	2016684633	UIZUIMMAZMAREG-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)c1ccc2sccc2c1	2017486453	KPQBPMYMRKXBQY-HNNXBMFYSA-N	245.391	4.518	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](NC)C(C)(C)CC)CC1	2017657123	BVLMJVWVNXUNFE-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(N)[C@H](C)CC)CC1	2017727744	CWMPPXRJKIWKNT-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(N)C2(C)CCC2)CC1	2017728031	GXMVRTJTTZWLKX-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCNCC(C)(C)CC[C@H]1CC[C@H](CC)CC1	2017738225	SUDQLMYOYQZPPO-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC2(CCC2)C1	2018136171	IGEVFRIYUXVZTM-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CC[C@@H]1CC(C)C	2019373807	DACCZXKALJITKW-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@@H](C)CCC(C)C	2019407893	YIPJANHJPHVHQP-HNNXBMFYSA-N	241.463	4.958	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@H]1C=CCCCC1	2019503195	MNIMRNZMNNMAGK-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1Cn1ccc2cc(Cl)ccc21	2022548238	WMGNLDOQCZZHJW-TZMCWYRMSA-N	247.769	4.587	0	10	BJAE	
CCC(CC)C[C@]1(O)CCC[C@H]2CCCC[C@@H]21	2022994281	PXKHHJYNFWFJLB-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C)[C@@H](C)C[C@H]1CCCC(C)(C)C1	2024100503	CYDHDZYLTFVSCW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCc1cc(C(C)C)ccc1OC	2024429205	IMIVXHYLMDXNLW-UHFFFAOYSA-N	232.367	4.717	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@@H](C(C)C)C1	2025574014	COLHHHMVGSCFPB-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H]1CCC[C@H]1C	2026167615	SOMHMVOWOWDFJB-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
CNC[C@@]1(CCC2CCCCC2)CC=CC[C@H]1C	2027919193	DJBCENWEEZDJKT-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC(=C[C@H](C)C1CCCCC1)c1cccc(N)c1	2027956833	NCNMJJFNFZXXPY-ZDUSSCGKSA-N	243.394	4.889	0	10	BJAE	
CCCN[C@@H](c1cccc(C2CC2)c1)[C@H](C)CC	2028549469	NCWATIRAXZRBER-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
Cc1ccc([C@@](C)(O)[C@@H](C)CCC(C)C)cc1C	2029837734	PVHCOUGWCCAELS-RDJZCZTQSA-N	248.410	4.583	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)[C@@]12CCCC[C@H]1CCC2	2031756381	CNBAYUJKNXXZQD-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@]12CCCC[C@@H]1CCC2	2031847330	ZXPMASDZCWQRGA-AIANPOQGSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@]1(CC(C2CC2)C2CC2)CCCCCN1	2032170104	ZGFXPLUTAMZPFA-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1[C@H]2CCCC[C@H]21	2032774566	CTHHKUVTXBAAQZ-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(NCC(C)(C)C2CCCC2)cc1C	2034015844	FGDZGHOVKACNPS-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
CC[C@](N)(CCCC1CCC1)c1cccc(C)c1	2037143044	QRZHUXVGERODHR-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1ccc([C@H]2C[C@@H]2C)o1	2037169482	VRFLSMMGNXGBSP-MELADBBJSA-N	247.382	4.539	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1	2037676205	SZEHRKYVLMPGER-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2CCC(C)(C)C2)CC=CCC1	2037681659	HOMAOLGQUOUCQN-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H]1CNC2(CCCCC2)C1	2037721000	MMIIUBSSNLTWNT-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H]2CNC3(CCCCC3)C2)CCCCC1	2037725101	RWVCNPHMVYWZBT-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)CC1CC(C)(C)C1	2037978895	FGNPGMKVRMXBSF-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(C1=CCCCCCC1)C1CCCCC1	2040648649	VPSZAJOVJWXYIJ-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)c2ccc(C)cc2)CC1	2041374328	ZRXGBLNUWWXFNG-INMHGKMJSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H](C)c2ccco2)CC1	2041377691	XVHRXUMZKFRJCB-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2ccc(F)cc2)CC1	2041381472	ABZQHXMOGSIFCL-QWHCGFSZSA-N	248.341	4.615	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC(C)(C)C1)C1(C)CC=CC1	2042023858	GDDNXXVAMZJFMP-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCCCCc1ccc(NC[C@@H]2C[C@@H]2CC)cc1	2042330112	DESVYWGTXBUNKR-HOTGVXAUSA-N	245.410	4.877	0	10	BJAE	
CCCCCc1ccc(NC[C@@H]2C=CCC2)cc1	2042330696	KUUJCQZPPMPTPT-MRXNPFEDSA-N	243.394	4.797	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)C[C@H]1CCC=CCCC1	2045315201	RLKOOLPWHUBKQE-XHSDSOJGSA-N	248.410	4.764	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2C(C)=CCC[C@@H]2C)CC1	2045681967	GNZXAQCECBJPDP-LBDPXKHJSA-N	248.410	4.764	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@@H]1CC(C)=C[C@@H](C)C1	2045690413	NLGKNXDIKOOPNV-XOKHGSTOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CCNC1CC2(CCCCCC2)C1)C1CC1	2046232662	BKLCDEVMWKIYGA-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@H]1CC12CCCCC2)C1(C)CCC1	2047021808	ZEHFCXBETKJLAO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@@H]2C=CCCCC2)C1	2049538268	XVPPELBXSPRODR-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@H]1CC[C@H](C)CC1	2049634520	JKRWYILOQQFDDI-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1(CC(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CCCC1	2049789090	SAMDWZCHRSYCHV-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CC1CCCC1)CC1CCC2(CC1)CC2	2049863916	ZKAFVYGVOTZXRZ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)[C@]1(C)C=CCC1	2050005751	ILDHEJZJJQYPCM-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC1(CNC[C@H]2C=CCCC2)CCCCCCC1	2052500873	ODQWVDPSDBILJY-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H]1CCC[C@H]1N[C@H](CC)c1ccccc1	2053263434	AOUXRGYEZDPCMP-USXIJHARSA-N	245.410	4.696	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](N)[C@H]1CCCCC12CCC2	2053409735	HEHXSPXEDJIONB-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](N[C@H]1C=CCCC1(C)C)[C@@H]1CC1(C)C	2055539303	CFBLUGASHBYKQJ-KKUMJFAQSA-N	249.442	4.536	0	10	BJAE	
CC1(CNC2CCCCCC2)CCC2(CC1)CC2	2056536360	OLLLOUANHPXBJW-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCCC(=C2CC3(CCC(N)CC3)C2)C1	2056625826	OZCXIXMOOGVWST-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
O[C@H](C1=CCCCCCC1)C1(C2CC2)CCCC1	2057602802	ZKNUTSXLPSFSRJ-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C1(C2CC2)CCCC1	2059173248	QWNITFWKTKMBCS-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H]1NCCC12CC1(CCCCCC1)C2	2059473822	VIYOIAAWTGRCCQ-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC=C([C@@]2(O)CCC23CCCCC3)CC1	2061094693	IDTRUHPTYRCRIG-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
C=C=CCC[C@]1(CNC(C)C)CCC[C@H](CC)C1	2061562865	JFUOZKXCPCLQFY-IRXDYDNUSA-N	249.442	4.692	0	10	BJAE	
C[C@H](CC(=O)C[C@@]12CCC[C@@H]1C2)C1CCCCC1	2061603900	WKSUPDQGOBCAAM-UNEWFSDZSA-N	248.410	4.742	0	10	BJAE	
CCCCCC[C@](C)(N)CC1CC(=C2CCC2)C1	2061704923	WTEMMGSKMQGXJG-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063498212	XMWGZNBBVXUIBN-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC([C@]3(N)CCCCC3(C)C)C2)C1	2063796039	BGELUVHXTQDWDC-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC2(N)C[C@H]3CCC[C@@H](C3)C2)CCC1	2069344417	KWBNBRQDFZDIMG-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)c1ccc(F)cc1	2070407308	FPTSCUXYLKTTJP-ZIAGYGMSSA-N	249.373	4.611	0	10	BJAE	
CC(C)CCCC(=O)C1CC(c2ccccc2)C1	2071409403	RTPXTIMWOPYHAA-UHFFFAOYSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2071511992	RQCWEFNSADPRQO-DTZQCDIJSA-N	249.442	4.523	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2072418736	VGVGXIIRSXVJHU-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@H]2CCC23CCCC3)CC1	2072681998	PCBYSZMOKNSFKU-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1[C@H](N)CC1(CCC)CC1	2074641718	LUZYLKHSGXNUSB-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCCC23CCCCC3)C1	2074888304	JPNQHKGBDTZZTA-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
CCCN(C1CCCCC1)[C@H](C)c1ccccc1	2076586285	OFIFBVFEKSLKCT-OAHLLOKOSA-N	245.410	4.792	0	10	BJAE	
CC=C(CC)[C@@H](NC)c1ccc(CC(C)C)cc1	2077190366	QTTDHQSJMSGKTH-QGZVFWFLSA-N	245.410	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2C[C@H]2C2CCCCCC2)C1	2079526758	GFHTWZBFXIKNBN-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CCC)[C@H]1CC=CCC1	2079625839	GMEHQDLTOUUCIG-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(CN)CCCCC12CCC2	2079663671	BLLSVSWMSRUOFJ-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
C1CCCC([C@H]2C[C@H]2CC[C@@H]2CCCCN2)CC1	2079695937	NYCPNIRKXOVHKX-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]2C2CCCC2)CCCCC1	2079841537	JLFCKSNNDRWUMW-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)C[C@@H]1CCC12CCC2	2079849816	BAUCGDICWSNFRY-VNHYZAJKSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@@]1(N)CCC2(CCCC2)C1	2079885981	MTRONXCNLIPXPS-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CC2CCCCC2)CCC[C@H]2CCCC[C@H]21	2081133797	SCUPPXUFUOUWGE-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2CC3(C2)CC(C)(C)C3)C1=O	2082841711	GUTSGWXPOAVFGL-OCCSQVGLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)CC1CC(CC)C1	2084997652	JZNIFBUNPIMJNW-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](N)CCCCCCC1CC1	2210526350	DAWFWFIMRXCEIO-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CC(CCCCCCC2CC2)C[C@H](C)N1	2213574420	SZRGILIYSGEKEI-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CCCCC2CC2)CC1	2214572757	HAGYSPGSVBNPPF-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1c(C)cccc1C	2216059486	BNWPUCYZQHVJBW-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CCC[C@H](C(C)(C)C)C1	2216258464	PWZDXLFWJKBNOF-ZQDZILKHSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCC[C@@H](NC2CC(CC3CC3)C2)CC1	2218492993	AFPIMJNTEUAIKX-HWOWSKLDSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCC12CCC(CC1)CC2)C1CCCCC1	2220297829	ZLXFGSFVNZPRJJ-WIHSUSGWSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2(C)CC3(CCC3)C2)C1	2221002193	KBFXXZOQMPQAOT-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CC1(C)CC(C)(C)C1	2221026975	BEZQOZJSJAKXQX-AWEZNQCLSA-N	245.410	4.520	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2221640094	IVZBBMMNARBEJF-WBTNSWJXSA-N	246.394	4.518	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CCC2(C)C)CC=CCC1	2223543246	XRFQEKPEIIYKKK-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)N(CC)Cc1ccc(C2CCC2)cc1	2223679389	PDPCPKLPOSQAQI-CQSZACIVSA-N	245.410	4.575	0	10	BJAE	
CCCCc1ccc([C@H](N)[C@H](C)CCC)s1	2242599644	ZRYMNYNEJUHSEG-BXUZGUMPSA-N	239.428	4.527	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2(C)CC(C)C2)C1	2246522989	MTYJUKJZMONEHM-WJEHIRDRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H]2CCC2(C)C)C1	2246660807	TXZMLHNXWJADSH-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC(=O)CC[C@H]1CCC[C@@H](C)C1	2246679473	NWYNLZHFRDQJLN-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CCC(C)(C)CC1=O	2247121057	OXKHANQDPDPLDC-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC)NCCCC[C@@H]1C[C@H]1C	2247121903	JACIUVHMXOBVOB-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(N)(CCCCC[C@@H]2C[C@H]2C)CC1	2248805998	JFEMWYGLGCMNCP-LVDPKSTMSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)C(=O)CCCCC[C@H]1C[C@H]1C	2248806355	KHMSAEXOEVEDNK-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
CCCC(C)(C)CNCCCCC[C@@H]1C[C@H]1C	2248865252	HZWWZXOHSOYBHK-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](N)(CCCCC[C@@H]1C[C@H]1C)C1CC1	2248879081	LHOIVFZIQODASM-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)c1ccco1	2250488451	NDCDYPAMHDXTDR-KBPBESRZSA-N	237.387	4.522	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)[C@H](C)C1CC1	2250519943	PRYROPWDDDZCBA-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)C23CCC(CC2)C3)C1	2253935897	BOJWJPBVBYAFBO-FSOQPWQOSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)CC1CC2(CCCC2)C1	2254052260	ATFMIECVMXABDO-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@]1(C2CC3(CC(C)C3)C2)CCCCCN1	2254456376	XGKUXUGXYFYQAO-GZUIOVLMSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC1(C)C)[C@H]1CC=CCC1	2254970566	FOZXBVYWNMMQDF-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]1CC1(N)C[C@@H]2CCCCC[C@H]2C1	2255022684	FXZUMLMLMDEDLP-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC[C@H]1CCCC12CC2	2255225801	LSXOLSZQXJMBGQ-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
C1CCCC(NC[C@@]23CCCC[C@@H]2CC3)CCC1	2260547695	XCVVSMYUHKEICL-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
Cc1cccc(C)c1NC[C@@]12CCCC[C@@H]1CC2	2260577913	IPBUERVNPCZHOP-WBVHZDCISA-N	243.394	4.686	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](N[C@@H]2C=CCCCC2)C1	2261399365	ALSNPFMAWFLBOP-HUUCEWRRSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CC2(CC(C[C@H]3CCC(C)(C)C3=O)C2)C1	2261449465	KXQAMCTXUNYNCY-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
CC1CC(CCC(=O)[C@@H]2CCC3(CCCC3)C2)C1	2261512840	RXUWPZZLRBBSPU-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](O)C(C1CCCCC1)C1CCCCC1	2300810545	ZDXIDBTWWOJTSL-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@H](N)CC=C(C)CCCC(C)C	2300876663	IVTHPRLHULXUBS-HRCADAONSA-N	237.431	4.523	0	10	BJAE	
CC=CC[C@@H](NCCC)C1(C)CCCCCC1	2300877943	WEFWMTUVCDSITB-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CN[C@@H]1CCCC[C@@H](CC2CCCCCC2)C1	2301142567	KKXWPSUGEBTXHW-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CC1CCCCCC1	2301201516	NFBYPZPJQYNVKN-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@H]1CCC(C)(C)C1	2302684296	BJBSHJSSPYOBIK-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CC[C@@H](C)C2)CC1	2303603529	UDDLPABQNHVIDI-KCPJHIHWSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C)NC[C@@H](C)CC[C@@H]1CCC(C)(C)C1	2304427553	GAYPMBGFLRMWRV-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@H]2C=CCCC2)C1	2304434105	HMPMOTZLUKTCDF-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNCC)CCC[C@H]1C	2307762900	GUCPXDWINIZWHQ-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CCCC[C@H]1CC	2307875432	ILHBXAPTJRFNFT-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CC(CC)(CC)CNC1CC1	2307900795	WFAUGTORUXTDJJ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1CCCCCCC1	2307903764	PTHBYROBJFDOAL-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC[C@@H]2C[C@H]2C2CC2)CC1	2308415098	WLXJMBRAJQYMMN-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2308611271	DTXAUTIBSFWJHC-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2311014809	JTMPDJJZDSMFTA-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@@H]2C[C@H]2C2CC2)cc1	2311478822	AGDDLFGOJHSSHH-PVUWLOKVSA-N	244.378	4.625	0	10	BJAE	
CN[C@H]1[C@@H]2CCCCCCCC[C@@H]2C12CCCC2	2311919928	GTHKYEJIYBYNBM-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C[C@H]1CCCCC12CC2	2313644831	LGQDWHFAHOCISM-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(C(=O)[C@@H](C)C2CCCC2)ccc1C	2314709940	BOUCQJHGUNVBEZ-ZDUSSCGKSA-N	244.378	4.566	0	10	BJAE	
CCC(CC)CC[C@@](CC)(CN)c1ccccc1	2316240113	MDOSUCXBSBZJQI-KRWDZBQOSA-N	247.426	4.510	0	10	BJAE	
CC(=CCN1C[C@H]2CC[C@@]1(C)C2)CCCC(C)C	2316507188	XWWKGAWJVBYCTI-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	2316507960	HHBBOZBPEGOOPR-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)c1cccc(C)c1	2316508127	ATRHAZICHXSTDO-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CC1CC(C)(C(=O)C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316878061	KVBYCGZFQOXFEE-AUUXXJPVSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CCCC12CCC2	2318594472	GILIRBGPHIOHJH-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C[C@H]1CC12CCC2	2318872334	BBXWODKLESYWFX-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC[C@H]1C[C@H]1C)C1=CCCCCCC1	2318929655	JECKNJDPFSBRHI-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC[C@H]2CC(C)C)CC1	2320233607	YAVJTQPIPZKSLN-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@]1(N)CCCC2(CC2)C1	2320246982	NMPXLYLNBFRROC-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCC1CC([C@@H](N)C[C@@H]2CCC(C)=C(C)C2)C1	2320424215	QLYBLONVBYQQKX-MYBQVCMBSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCNC23CCC3)C1	2321629668	ABWSIJQXEMUMKF-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)c([C@]2(O)CCC(C)(C)C2)c1	2327708283	MHLCGXWHLIYZRC-KRWDZBQOSA-N	246.394	4.516	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccccc1Cl	19999372	CMSWDVUJQJYIRE-RYUDHWBXSA-N	239.790	4.967	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1	37215838	IOLSWYNNNIHYQO-ZMSDIMECSA-N	243.394	4.766	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc2ccccc2c1	37276982	STMGKNMJOAWZCU-CYBMUJFWSA-N	227.351	4.830	0	10	BJAE	
Cc1c(C)c(C)c([C@H](N)[C@@H](C)C(C)C)c(C)c1C	70122863	JINNEPNNHUJZRF-DYZYQPBXSA-N	247.426	4.521	0	10	BJAE	
CCC[C@@H](C)CN[C@H](CCC)c1cccs1	71105506	OEZITRCWQMSERY-CHWSQXEVSA-N	239.428	4.615	0	10	BJAE	
Cc1ccc(Cl)c([C@H](C)c2ccccc2)c1F	75841667	MTWLKEBCLHPCDE-LLVKDONJSA-N	248.728	4.939	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(N)CCC(C)(C)CC1	79657469	DUIGZLCKQWVILK-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccc3sccc3c2)C1	80433067	QRZDVWMLKXUSQN-WCQYABFASA-N	245.391	4.892	0	10	BJAE	
CCC1(C(=O)c2sccc2Cl)CCCC1	87621056	KLXBEVBZDXHLQZ-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCCC[C@H](CC)CNC[C@H]1CCC[C@H](C)C1	89604711	IHBMFEZHZCVGRH-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCCCN[C@@H]1CCCC1(C)C	94303774	AZRITMUOODGNJT-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC)C[C@@H]1C[C@@H](C)CC	109663170	VWXKABNQUKDKAF-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](c1cc2ccccc2o1)C(C)(C)CC	128165867	NCFPSHBCXHAEPY-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CN[C@@H](c1ccccc1)[C@@H](C)CC1CCCCC1	128427094	FZVPEKQIYOHYFS-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
CCCC[C@@H](CC)Nc1cccc2ccncc12	131106301	SSVSAEVWYGBEGP-CQSZACIVSA-N	242.366	4.616	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(C)(C)CCNC(C)C	133932806	HCEQNZUFJFNAJD-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C(=C/c1ccccc1)\CCCc1ccccc1	137793203	KENSKKQCGCEMPH-RIYZIHGNSA-N	222.331	4.723	0	10	BJAE	
CCC[C@@H](OCC)c1nc([C@H](C)CC)cs1	157544199	VWXWNIZXWMWPKR-ZYHUDNBSSA-N	241.400	4.534	0	10	BJAE	
CC1CCC([C@H](N)C2CCCCCCC2)CC1	159016769	FSVHJYAOZMXQSU-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCc1ccccc1	163297541	QFWBDPGJKDPXEH-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1CCC[C@H]1CC	164106686	LZBQWQJIZATRSU-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(F)c(C(=O)CCC2CCCCC2)c1	165347077	MSOIQMLIGVDVLU-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1ccc(C)cc1C	165791993	GAAOELHPYSNKLB-GDBMZVCRSA-N	244.378	4.703	0	10	BJAE	
CC(C)CCC(=O)c1cc2ccccc2s1	167969209	QYVMYDLIAGFTKK-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CCC(CC)C[C@@H](N)C1(CC(C)C)CCCC1	229156487	ZLCAULSMVOZZOO-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCC12CCCCC2	230162319	FEPYLKPGEDXCTQ-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)C1CCC(CC)CC1	233635420	FWWLNBOPYBFSSR-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1c(C)cc(C)cc1C	302282166	BQMDFEBCJGXFCA-CXAGYDPISA-N	247.426	4.699	0	10	BJAE	
CCN[C@H]1CC[C@](C)(CCC2CCCCC2)C1	305913780	GHXKKIDKVDRZLH-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cccc(C2CCC2)c1	305953009	DCXJSVYHXUVTQB-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@H](CC)CC(C)C	308083557	SVRWJKNADQPGDT-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1C)C1(CC)CC1	310848274	CQZLJXOPLWWARM-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCNC[C@]1(C[C@@H](C)CC)CCC[C@@H](CC)C1	317068894	GGIYKEIWUUEEBP-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCCCC2)CCC[C@@H]1C	317724173	KDPAXKQVOWSQFW-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCCNCC1([C@H]2C=CCCCCC2)CCCC1	318654096	SXPMEAAICFGFHD-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H]([C@H](C)C(C)C)C1(CC)CCCC1	319585412	JLWIAODPWCTJDR-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H](CC)C2CC2)CC1	323894279	PJZWEWCTZVOLMQ-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC(C)(C)CC1)C1CC1	324513425	IWUFAOMKCIZKCY-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCC[C@@](O)(CC)CCCCCC(C)C	383186911	OBGQFRYTFORBET-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
CCC[C@H](NCC(C)(C)CC(C)C)C1CCC1	391193552	KCNIJVUMSCVORL-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCNc1ccc(Cl)cc1	394769127	SLARIPCFIZINPW-UHFFFAOYSA-N	239.790	4.968	0	10	BJAE	
CCc1ccc2c(SC)csc2c1CC	396177982	OXMWIYYUHNWXCX-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
C[C@H]1CCC[C@](CCC2CCC2)(CNC2CC2)C1	398624377	HEWWHCOSBRHVAJ-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NCC1(CCC2CCC2)CCCC1	398937783	USIJJPLVTNTCRB-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C(F)(F)F)ccc1CC1=CCCC1	401130434	WGKIIRKDBNRXNK-UHFFFAOYSA-N	240.268	4.667	0	10	BJAE	
CCCCC[C@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NCC	402236991	BINIWSLXYJAIBS-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC=CCC1)C(C)(C)C	402345320	RXOQHOBWQMWMMB-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCCC/C1=C\Br	606287914	BGHKBENUPPFAHX-UQSGXBNBSA-N	231.177	4.502	0	10	BJAE	
CCCC1(CNC[C@@H]2CCCC3(CC3)C2)CCC1	687270769	NADZYGDFSXNEFG-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCCC[C@H](C[C@H](C)CC(F)F)NCCC	688798704	JTDMYQMXZLROHJ-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H](C1CCC1)C1CC1	689779992	WSEOIMGSZAYLTE-DYVFJYSZSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1ccc(C2CC2)cc1	690077402	AAXFLBIXGUKQTA-MLGOLLRUSA-N	229.367	4.555	0	10	BJAE	
CCC(C)(C)C[C@H](N)CCC1CCCCC1	696178818	TYSJKWJJMIUYBL-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC[C@]1(CNC)CCCC[C@@H]1C	696800737	DRSGATFBDBESHX-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCCc1ccc(Cl)c(C)c1F	698106215	ZEBNIOUYWXVGAN-UHFFFAOYSA-N	226.722	4.686	0	10	BJAE	
CCC[C@@H](C)CC1(N)CCC(C2CCC2)CC1	704459006	GCBPJKIQPPMKMS-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(N)C1CCCCC1	704857453	GCENLPQHOGRQQZ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CCCCCC(C)C)C1CCCC1	704923184	CCKGQBUEJIJYOV-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C1CCCCCCC1	704936727	OPUYLTSIZIHXOC-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(OC[C@H](C)CC(C)(C)C)ccc1F	709104657	BTBBSZCQLKACCG-LLVKDONJSA-N	238.346	4.585	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@]23CCCC[C@H]2C3)c(C)c1	709109611	JKVYIXWIAIVIEL-VYDXJSESSA-N	243.394	4.684	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)C[C@H](C)C(C)(C)C	710700468	ARSKCAHOQPEGCH-NUEKZKHPSA-N	248.410	4.613	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H](C)C(C)(C)C)C1	711205291	AXRBFAVOSLNQAA-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C/CC[C@@H](N)C1CC(C)(C)CC(C)(C)C1	713750742	YOQYFABIMAWJRD-MVGZEHJDSA-N	249.442	4.689	0	10	BJAE	
CCCNCC1(CCC(C)C)CCC=CCC1	718133264	HDSJASUSAHXWQU-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1ccc(F)cc1C	718524506	FTBJQDRDMUPRKM-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCCCCC1(C)C	719260615	NJMBJPZZEZEISP-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
C[C@H](N[C@H]1CCCCCC1(C)C)C1CCCC1	719283512	DKGYRLGPQGWSIR-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
C=C/C=C\CCN1CCCC[C@H]1CCCCC	1460489898	WOJDCKFKOUGTIX-GMNBZTITSA-N	235.415	4.554	0	10	BJAE	
C[C@H]1CC[C@H](Sc2ccccc2Cl)C1	1613256955	FXUKXOVAJRHBEU-UWVGGRQHSA-N	226.772	4.621	0	10	BJAE	
CCCCC[C@@](O)(CC)[C@H](C)CC1CCC1	1899366742	BUSWTUMAKLHGEH-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1CCC(C)(C)C1	1902390674	MMQLMSQPLBEWAW-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CC)CCCCCN1	1905361773	JGJOWJPTZSQMBS-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@@H]1CCCC(C)(C)C1	1911268473	LQDLHGXPAKEAHG-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CC=CC[C@@]1(CNC(C)C)CCC[C@H](CC)C1	1911940716	BFFSWQXLKJKVON-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](C)NCCC=Cc1ccccc1	1912120208	NTKUKTZHWXYPBG-INIZCTEOSA-N	245.410	4.648	0	10	BJAE	
CCN[C@@H](C)c1cccc(C2C(C)(C)C2(C)C)c1	1917174244	LHHGHZGVCZEKMB-LBPRGKRZSA-N	245.410	4.507	0	10	BJAE	
C1CCCC(NC[C@@H]2CCCC23CCC3)CCC1	1921600394	DEBZWCVNUOCEDS-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCc1ccc(NC2C[C@H]3CCC[C@H](C2)C3)cc1	1923466671	YEONPERXLSALQJ-GJZGRUSLSA-N	243.394	4.630	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H](C)C1CCCCC1	1924135356	KEHDTDIPKSLWFY-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)C[C@@H]1C=CCCCC1	1925761737	VLENKICWGBTVQI-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCCC1)C1CCCCC1	1925925666	CEYQOCRBAMCBSZ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC(CC)C[C@@H](CC1(C)CCCCC1)NC	1926383685	MMXNBFOWICKKEA-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(=CCC(C)(C)C2CC2)[C@@H](CN)C1	1927157702	SWURTNIOEJAWOW-CQSZACIVSA-N	249.442	4.524	0	10	BJAE	
FC(F)=Cc1cccc(OCc2ccccc2)c1	1927582280	VXPJLDBVONIHIA-UHFFFAOYSA-N	246.256	4.503	0	10	BJAE	
CC(C)CC[C@H](C)Oc1cc(F)cc(Cl)c1	1937175595	YPRUKZKFRFZLDH-JTQLQIEISA-N	244.737	4.683	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](C)C(C(C)C)C(C)C	1940252176	IDCHSYJAODQMRY-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](CC)CCCC1(C)CCCCC1	1940410542	RTLDBUHBABYAGP-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
C[C@H](C[C@H](N)CC[C@H]1CC1(C)C)CC(C)(C)C	1940859492	QEHFZKXQTRCEOT-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C[C@@H]1CCC[C@@H](C)C1)c1ccc(N)cc1	1940968864	VCYOEBCXFVINSO-HZSPNIEDSA-N	231.383	4.589	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)CCC1CCCCC1	1944789948	KTYYVVWBVHEUEB-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@H]1C1(O)CCCCCCCCC1	1947881914	UOGGAEBJIZUFOF-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C1CC(C)(CC)C1	1948411653	TXWUBFMOKXNWIB-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](C)(O)[C@H]1CCC2(CCCC2)C1	1949450632	FHCGARIGHBOREM-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)C[C@@]1(CO)CCCC(C)(C)CC1	1950909749	ZTYNDRDYCHKGMQ-MRXNPFEDSA-N	240.431	4.782	0	10	BJAE	
CCC1CCC(C(C)=CBr)CC1	1953413611	FKEMNFQMAVTZGV-UHFFFAOYSA-N	231.177	4.502	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)c1	1968231053	ZZHWMASSTBJKPJ-MUJYYYPQSA-N	243.394	4.684	0	10	BJAE	
CCCC1CCC([C@@H](C)N[C@@H](C)CCC)CC1	1968898585	DHGRWQFEBSERGF-QRNKSROTSA-N	239.447	4.760	0	10	BJAE	
Cc1cccc(NCC2CCC3(CC2)CC3)c1F	1969472527	XVWZOSOMGKSQPA-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CCCCC1CC(NC2CC3(C2)CC(C)(C)C3)C1	1973766365	UADICMDKWQLDFX-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@](O)(CC)C1CCCCC1	1975960160	WNPKOMBJBIKXCQ-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)c1cnc([C@H]2CCCCC23CC3)s1	1981841071	OUGBQIMXKGPXEC-LLVKDONJSA-N	235.396	4.704	0	10	BJAE	
C/C=C/CCCC(=O)C1(C)CCC(C)CC1	1984591021	JRBZXJIWXCGXGH-SNAWJCMRSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H](C)CC(C)(C)C	1990048421	FSTIYYMTXWGOAP-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
Fc1cc(Cl)cc(C[C@H]2C=CCCCC2)c1	1993479877	RWJMOLMPHPZFQE-NSHDSACASA-N	238.733	4.768	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CC(C)(C)CCC1=O	1994035909	DEUMAHPYVHRUKS-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CC[C@H](C)C2)C1	1996232576	QAIHWDLWFDOVRD-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H]1CC[C@H](C)C1)NC	1996247391	ITTCOLFCVKIKHD-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCCSc1ccccc1N[C@H](C)[C@H]1C[C@H]1C	1996564641	SKRXBOUZHJGALP-UPJWGTAASA-N	249.423	4.645	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)C1CC(C)(C)C1	1998649372	LNBCTMSORQBGNN-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@@H]1CCC=CCCC1	2000001443	MMQNBEDJJCAVIX-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@](CC)(CNCC)CC1(C)CCC1	2000504575	JDSUUGZYTGJVHZ-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC[C@](C)(CCC(C)(C)C1CC1)CNCC	2000520834	OPHUFKPRLQBRJZ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CNCC(C)C)CC1CCC1	2000522393	FCFDKWLQCQBFML-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@](C)(O)[C@H]1CCCC(C)(C)C1	2003004761	HOYFBLABTLWBSI-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
NC1(C[C@H]2C=CCCC2)CCCCCCCC1	2003096294	WDWIVARCKVQOAP-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
C1CCCCC(NC2CCCCCC2)CCC1	2003100721	SMPPLAVJMQJMII-UHFFFAOYSA-N	237.431	4.802	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@]1(C)C=CCCC1	2003319761	CGJFFGUZWHYINR-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC1CC(C[C@H](N)CCC2CCCCC2)C1	2007747555	UYZZDIVJELDLEI-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)CCC2(C)CC2)C1	2009550736	BDGCXGKMGJMODC-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@H](C[C@H](C)CC(C)(C)C)NC	2009619566	MSISBEZFSRDJBI-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)C1=CCC(C)(C)CC1	2010770056	WBSHVTYCIKRCEG-ZFWWWQNUSA-N	237.431	4.523	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC[C@]12CCC[C@H]1C2	2011011601	PMZAFLYMJFMCPF-WWGRRREGSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](C[C@]12CCC[C@@H]1C2)NCCC	2011023945	HNFCWJZOUUIIHL-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
C=CC=CCCc1cc(C)ccc1C(F)(F)F	2012470213	WBFNPXBDCRMISM-UHFFFAOYSA-N	240.268	4.689	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(F)cc1C	2013262894	DQVPLMWVXAWVHF-AWEZNQCLSA-N	237.362	4.761	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cc(C)cc(C)c1	2013264671	OYHCTQCSONFUCL-OAHLLOKOSA-N	233.399	4.930	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@H]1C=CCCCC1	2013296603	MCTQNSHFGLJZHP-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC(C)C(C[C@H](N)C1CCCCCC1)C(C)C	2015292178	XTDIACRXSZCKTO-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](NCCCCCCC(C)C)C(F)F	2015825969	ZFDUAJHSVCJGOM-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC1(N)CCCCCCCCC1	2016469265	WZVFRMOTNBGIIT-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)C1(C[C@](C)(N)C2CCCC2)CCC1	2017129379	NWFMPHIVVAZBPC-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@H](O)CC(C)(C)CC)CC1	2017648573	ODDAEJZQVXPVQF-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@H]1CC[C@H](C)CC1	2017729291	VDSWORNDCJESFA-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@](N)(CC)CC1CCC(F)CC1	2018131510	OMYQYEWIHKIFED-YMAMQOFZSA-N	243.410	4.593	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@@H](C)C1(C)CCCC1	2019414041	JRIQWKITHQDMOH-CABCVRRESA-N	239.447	4.712	0	10	BJAE	
Cc1cc(N[C@H]2CCC3(CC3)C2)c(C)cc1Cl	2021771524	OYZDSGZUWHMPMK-LBPRGKRZSA-N	249.785	4.701	0	10	BJAE	
CCN([C@@H](C)CCC(C)C)[C@H]1CCCC1(C)C	2022049658	OGFOPUMSCPLTCK-GJZGRUSLSA-N	239.447	4.712	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1C[C@H]1C1CCC1	2022311707	DPUBTOVJZRRVSL-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)[C@H](N)CC1CC(C)(C)CC(C)(C)C1	2024093142	YVPHGDYUXNZWLW-GXTWGEPZSA-N	239.447	4.602	0	10	BJAE	
CCCCN(C)CC1CC(C)(C)CC(C)(C)C1	2024098874	OXCQEDSQRAPJLE-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1ccccc1C	2026143462	KOQBSZHGQAGCPR-BBRMVZONSA-N	234.383	4.635	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1ccccc1C	2026143463	KOQBSZHGQAGCPR-CJNGLKHVSA-N	234.383	4.635	0	10	BJAE	
CC(C)c1ccc(C(=O)CCCC2(C)CC2)cc1	2027844053	WMBFEKRLVLTJSS-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C1(C2CC2)CC1	2028100691	CAKJRBSYSORMKQ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)c2ccccc2C2CC2)C1	2028570439	YGYRSABCAMQTEC-OCCSQVGLSA-N	242.362	4.573	0	10	BJAE	
CN[C@H](CC1=CCCCC1)CC1CCC=CCC1	2028896278	AWIWUOIJUUQAJS-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)C1(C)CCC1	2028898026	QYDSDTGKDIEESV-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C1(C)CC(C)(C)C1	2029112795	WIEIFBKRTOJNHJ-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c([C@H](N)[C@H](C)CCC(C)C)c(C)c1	2029825523	QIMQJQMLCMNENZ-CXAGYDPISA-N	247.426	4.684	0	10	BJAE	
CN[C@H](CC[C@@H](C)CCC(C)C)c1ccccc1	2029830408	JKXHHULBIADUIY-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1ccc(C(C)C)cc1	2029839289	YOYJGUINPDLEOR-PBHICJAKSA-N	248.410	4.916	0	10	BJAE	
CC(C)(CNCC[C@@H]1CC=CCC1)C1CCCC1	2034014977	ACHFHMJBTUFPRS-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)[C@H]1CCCC1(C)C	2035594396	UCBLZYIYNYZRCZ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(N[C@@H]2CCC[C@H]3C[C@H]32)CCCC1	2035892381	RAOARTFZTYCKJC-USXIJHARSA-N	249.442	4.658	0	10	BJAE	
CCC1(C)CC([C@@H](CCC2=CCCCC2)NC)C1	2036474053	HXZQYCGMPFSUEH-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)C1C(C)(C)C1(C)C	2037212061	LFXBIONJQFBRJG-PXAZEXFGSA-N	249.442	4.523	0	10	BJAE	
CC1CC(C)(CNc2ccccc2C2(C)CC2)C1	2038886817	USUOLHYKPGEJTL-UHFFFAOYSA-N	243.394	4.586	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@]1(C)CC=CCC1	2042024782	PAHCRNHOGFMAMS-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CC(C[C@@H](N)[C@]2(C)CC=CCC2)C1	2043004640	MPUOUKKCOMKXRL-OCUYMYNFSA-N	249.442	4.523	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)C1CC(C)(C)C1	2043543739	MQDKXKZJMPGWIT-ZDUSSCGKSA-N	245.410	4.794	0	10	BJAE	
C[C@@](N)(CCCCCC1CC1)C1CC2(CCC2)C1	2043551541	XQHPCRXRNIFAQJ-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCCC1([C@H](C[C@H]2CCC=CCCC2)NC)CC1	2045323060	JMFGTACXCPRFDR-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)c1cc(C)ccc1C	2045730183	MPLNOPXUUQCILX-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
NC1(C[C@H]2CC=CCC2)CC2(CCCCCC2)C1	2046230206	OINYDKASLBSQKS-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CC[C@@H](C)c3ccccc32)C1	2046581158	KMTMQPCDBNJGKI-KFWWJZLASA-N	243.394	4.579	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C[C@@H]1CC12CCCCC2	2047016587	PTFZGLCPESUVDV-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@@H]2CC23CCCC3)C1	2047024199	SFNFTVZNBSNBPG-NWANDNLSSA-N	246.394	4.518	0	10	BJAE	
CCCCN(CC1(F)CCCC1)c1ccccc1	2047241692	DESKJYBDTVFBLI-UHFFFAOYSA-N	249.373	4.575	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@@H]1CCC12CCC2	2047939467	NJSZWRBCKGAOLX-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048444160	YRAPBFVVVORVNS-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048467132	KFNHXPRIBJWCMA-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC(C)(C)C1CC1)[C@@]1(C)C=CCCC1	2050000867	RXIHSVHBMOGYQN-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CC[C@H](C)[C@@H](C)C2)c1	2050456212	OFDZLHZMHKXKFN-SOUVJXGZSA-N	244.378	4.640	0	10	BJAE	
CC1(CCC(=O)c2ccccc2F)CCCCC1	2050494299	HYGNBVIELUHZEX-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CC1(CCC[C@@H](N)[C@H]2CCCCC23CCC3)CC1	2053416964	XDDVPAHJPJEWBZ-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCC1(C[C@@]2(CN)CCCCC23CCC3)CCC1	2053421803	YZVHGSNWHWRCGY-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
C[C@@H](CC1CCCC1)NC[C@H]1CCCCC12CC2	2053429121	CXWGDBRLJABOHU-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1N[C@H]1CCCC[C@@H]1C(C)(C)C	2055562217	CTLHOSPBYLBQIN-UGUYLWEFSA-N	249.442	4.536	0	10	BJAE	
CCc1ccc(NCC2CC(C(C)C)C2)cc1C	2056731356	QMZOTMSWRDKTIQ-UHFFFAOYSA-N	245.410	4.652	0	10	BJAE	
N[C@H](CCCCCC1CC1)C[C@@H]1CCC[C@H]2C[C@@H]12	2057361898	UBONEUQNBLAUTL-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCC[C@@H](NCC)c1ccc(F)cc1	2059247559	RXBLAGHKFKKYCM-LLCTXKFZSA-N	249.373	4.613	0	10	BJAE	
CCCC1CC(Nc2ccc3ccccc3c2)C1	2059389480	CEZUCONINAYEDY-UHFFFAOYSA-N	239.362	4.830	0	10	BJAE	
CCc1ccc(C)c(C(F)(F)F)c1C(F)F	2060351422	PNBZVOKDELHZRZ-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
C[C@@H]1CC=C(C2(O)CC3(CCCCCC3)C2)CC1	2060918899	RDKGAPQYWYROQP-CQSZACIVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](CC)CC1)C1CC(C)C1	2061082650	WYMQXAGJVUSZRE-VVBDHPJYSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@@H](NCC)C2=CC[C@H](CC)CC2)CC1	2061087515	GJNFTSZTARBFBL-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)[C@H]1CCC(C)(C)C1	2061095117	KYUQREOYAKSNEG-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CC(C)(C)CC[C@H]2C)CC1	2061115351	GSEUKOZSDWLGNH-CKEIUWERSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccc(OCC[C@@]23CCC[C@@H]2C3)cc1	2061595517	HHTFJDMPVNGTSE-NVXWUHKLSA-N	244.378	4.769	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC[C@@]12CCC[C@H]1C2	2061606386	LFYHSJOWQVHYPR-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C1CC(=C2CCC2)C1	2061734826	RIDKPZUHWKWSKF-DYVFJYSZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C1(C)CCC2(CC2)CC1	2062637422	JFYBAUCMWRNATI-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)NCCC=CC[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063488718	CSFLPIQUIOZJFL-MUJYYYPQSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CC[C@]3(C)C[C@@H]23)CC1	2065662613	BZFZERPCQXASRV-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CC1CC(N)(CC2CC3(CCC3)C2)C1	2067988118	ZTPFWFJIUKYLEW-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)c1ccc(C)cc1C	2068823415	QWORZFPMOWUAOH-YOEHRIQHSA-N	247.426	4.636	0	10	BJAE	
CCCc1ccccc1OCC(C(C)C)C(C)C	2068987244	QPMWRMSXHXRSHW-UHFFFAOYSA-N	248.410	4.946	0	10	BJAE	
CCC1(CC[C@H](NC)c2ccccc2C)CCC1	2069285578	UBMCLHLWGYYTPO-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CC(C)(CNC1(CC2CC2)CC1)C1CCCCC1	2069492557	SUYTYPNQSMAOJU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2070951024	LTOCCZJBCCMBAF-JRBZFYFNSA-N	248.410	4.598	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNC2(C(C)(C)C)CCC2)C1	2071870684	JKADYKXEBXIFKB-DZGCQCFKSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@]12CCCC[C@@H]1C2	2074092374	XAZWMSCCRYQMTN-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCCCC2(CCC2)C1	2074898186	AYPRAHYXUFPHOB-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CN(C1CC(C)(C)C(C)(C)C1)[C@H]1C=CCCCC1	2075406483	CLXNFGDMTWRDEH-AWEZNQCLSA-N	249.442	4.632	0	10	BJAE	
CC(C)=CC[C@]1(N)CCCC[C@@H]1C1CCCCC1	2075825659	DXCXORMIAKUQJM-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CCCCCCN(C)Cc1ccccc1CCC	2075944650	FAVVGDXMOPHHHR-UHFFFAOYSA-N	247.426	4.651	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2C[C@H]2C2CCCC2)CCC1	2079837986	DVBNVILMZZUEFD-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@]2(N)CCC[C@@H]3CCCC[C@@H]32)CC1	2081132725	LXYSUGUSQPJINJ-SSNHOHEISA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)c1ccccc1CC	2081207840	YKMQSJAMHIQCEJ-GJZGRUSLSA-N	247.426	4.726	0	10	BJAE	
CCNCC1(C[C@@H]2CCCC(C)(C)C2)CC=CC1	2082982918	OGLQPLCLSIXUFQ-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)Cc1cccc(C)c1	2086045566	XWTNESYTWJXTJZ-PBHICJAKSA-N	248.410	4.505	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@H](C)C1CCCCC1	2215344635	DKCDDTIQOIKJLT-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(C)(CC(=O)CC2=CCCCC2)C1	2215439909	MBHBAILNIFVNBZ-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](C)CC1(CN[C@@H](C)CC)CC=CC1	2217130776	UBHSZQIDXZWHAL-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
O=C(CC1CCCC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218331356	JVIRLJZYTVXWET-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218352065	UDPJCXWVEKCYHD-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC=C[C@](N)(CCCCCCC2CC2)C1	2218725637	MZRXUZAPZIWYIO-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1C[C@H]1C1CCC1	2218731908	NBNQRBGRLRJJHI-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)CC1=CCCCC1	2220932882	OQOAMSKUKGDVGF-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@H](N)C2CCCCCC2)CC2(CCC2)C1	2221013297	ILSTZSKZDOXXKS-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CCCCC[C@@H]2C)CC1	2221637601	IOKXDXPMNZACCB-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(C(=O)[C@@]2(C)CC=C(C)CC2)cc1	2221644189	RHGBNPAQEQRGEK-KRWDZBQOSA-N	242.362	4.568	0	10	BJAE	
CCCC1CCC(CN[C@@H]2CC=C(C)CC2)CC1	2221667629	MARDBVNXDMIMJC-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CCC[C@H]2C)CC=C(C)CC1	2221669292	WIMPIQHFSBBOPD-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)c(CC2=CCCCC2)c(C)c1	2243249524	NPLOMKOHVQBYEY-UHFFFAOYSA-N	214.352	4.655	0	10	BJAE	
CCC[C@@H](CC)C(=O)CCC1=CCCCC1	2244783871	QQHBXOFQHVEEIM-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
CCC[C@@H](CC)CNc1cccc(C)c1Cl	2244802435	PWIQUKOYACLZBW-GFCCVEGCSA-N	239.790	4.887	0	10	BJAE	
CCCC[C@H](N)CCC[C@@H]1CCCCC12CC2	2246628676	ZUOHKVFLXCLFTA-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCCCC12CC2)C(C)C	2246632314	XCKLBQFUANCIPI-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CC[C@H]1CCC[C@H](C)C1	2246694845	RRLFRAVLADHMSV-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(=O)C[C@H]1CCC12CCC2)C(C)C	2247360775	UBKRXMNWQFFXHJ-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC1=CCCCC1	2247527673	NAKYFYLLFVPFFY-HNNXBMFYSA-N	237.431	4.635	0	10	BJAE	
CC(C)CCC[C@@H](N)CC[C@H]1CCCC12CC2	2247591044	PJXLZRYYPJDOOD-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)c2csc(C3CC3)c2)C1	2248070264	RPYABHRNCDXNHL-WDEREUQCSA-N	248.391	4.635	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@]1(C)CC1(C)C	2248813293	DJSAQEDLIATGRQ-DVOMOZLQSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)CCCCC[C@@H]1C[C@H]1C	2248815375	OYDBYIBZAFYAPL-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)[C@H]1CC[C@@H](C)C1	2248819418	JZVWXGJDTUBUJA-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CC1(CC[C@H](N)c2ccc(C3CCC3)s2)CC1	2250297445	BTQPNBKLMYHWMM-LBPRGKRZSA-N	249.423	4.596	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(N)CC12CCC2	2250475766	MBDRJIWBQVCIEE-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC[C@@H](N)C(C)C	2250484982	IWXHBIWSEUOSRT-HZPDHXFCSA-N	241.463	4.993	0	10	BJAE	
CCCCN(CC)CC1CC(CC(C)(C)C)C1	2251584735	KMGMKHWIEXWYAY-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC1CC([C@@H](N)CC[C@H]2CCCCC23CC3)C1	2253785230	SLISVAOEDUBMGO-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC[C@H]1CCC[C@H](C)C1)c1ccco1	2253929089	HNTJZGCJPMPBPE-RRFJBIMHSA-N	249.398	4.537	0	10	BJAE	
CCN(C[C@@H]1CCC12CCC2)C1CCCCCC1	2254990967	WWHBYNMUJGNNIA-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC12CCC2)C1CCCCC1	2255024333	MOSXCWMRBOWSJH-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@H]2CCCC23CC3)CCC1	2255224029	HQSYIESQEGVLMO-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCCC12CC2)CC1(CC)CC1	2255227818	PVYWGINIKQQLBX-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1C[C@@H]2CCC[C@H](C1)N2	2257337338	FEQKQNJBTMZRGG-GTGZTVCESA-N	249.442	4.514	0	10	BJAE	
CCC1(CNc2cccc(C(C)(C)C)c2)CCC1	2257907219	JUOXHEZCVUHPQO-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CCc1cccc(NC[C@@]23CCCC[C@H]2CC3)c1	2260623170	NFJYUEWBLGOERE-RDJZCZTQSA-N	243.394	4.631	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)C[C@]12CCCC[C@H]1CC2	2260645925	KHALMFPPIBGEAZ-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@@H](NCC2CC(CC(C)(C)C)C2)CC1	2261182350	QJCYHOVDAJDSNQ-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)C[C@H]2C=CCCC2)C1	2261187150	WNHBUYAHHPKLJT-NFOMZHRRSA-N	248.410	4.764	0	10	BJAE	
CC1CC(CC[C@@H](N)CC23CCC(CC2)CC3)C1	2261495707	QMTNOQXMHDITSK-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CC(=CC[C@@](C)(O)C(C)(F)F)CCCC(C)C	2300911479	KIRQEZSSENRTTB-CYBMUJFWSA-N	248.357	4.555	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301056893	CSJLNADRZVSBGF-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H](N)C[C@H](CC2CCCCCC2)C1	2301143295	SJVSXHOMCHBSIJ-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CNC1CCC1)CC1CCCCCC1	2301238007	BVRSRXAAZWGBGE-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](O)C1(C)CCCCCC1	2301829543	QKTDIBDTDXSRRS-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](O)CCC(C)(C)C)CC1	2303595970	ZOMCXYIGZFMITN-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CC[C@H](C)C2)CC1	2303603528	UDDLPABQNHVIDI-GLQYFDAESA-N	234.383	4.518	0	10	BJAE	
CN[C@@H](CCC[C@H]1CCC(C)(C)C1)CC(C)C	2304439596	LLPFCFOMUFWYSV-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2311007202	JIVVTCFPPKEEEB-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1CCC[C@@H]2C[C@@H]21	2312333035	VWBMBVWCBWGYAC-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H]1C[C@@H]2CC[C@H]1C2	2312890481	YHHPGIFSCSIMFB-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC(CC(=O)[C@@]23CCC[C@@H]2CC3)C[C@H](C)C1	2313309161	YEOJJNZVDAZXLI-GKLJAUDBSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)[C@@]1(CN)CCCCC12CCC2	2313581430	RUQCPLFFEXKOKE-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CC(=CCNC[C@@]12CCC[C@@H]1C2)CCCC(C)C	2316488357	BDGQWYXAXJGHHY-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)c1cccc(F)c1	2316504982	XEMWYGBTDRHINL-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
NC1(CC2CCCCCC2)C2CCCC1CCC2	2316876294	UICOFURPOSDZFQ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C1=CCCCCCC1	2317970037	RXPMFHDLBIVBOE-QGZVFWFLSA-N	248.410	4.909	0	10	BJAE	
CC[C@H](C)c1cccc2c(C(C)(C)OC)coc12	2318309760	VTDUTRREKWCQHA-NSHDSACASA-N	246.350	4.828	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)c1occc1C	2318576861	SUXLCUYGDAWEIP-HNNXBMFYSA-N	247.382	4.519	0	10	BJAE	
CCNCC1(CCCC2=CCCCC2)CC(C)C1	2318586658	LTQNHGCWRCKMSC-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1N[C@@H](C[C@@H]2CCC3(CCCC3)C2)CC[C@H]1C	2319034877	QPWSPTVBIIVFBD-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2(C3CC3)CCCC2)C1	2319124052	OTXUIUGBNCGJIU-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC1(CC[C@@H]2CN[C@H]3CCC[C@@H]3C2)CCCCC1	2319506126	KEMVDGHOOONWKZ-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(CC(=O)C[C@H]2CC[C@H]2C2CC2)CCC1	2319582151	DEMXKIRNCKLJOH-ZBFHGGJFSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC(C(=O)CC[C@H]2CC[C@H]2C2CC2)C1	2319694896	ACXCZCUBYOJQNU-GJEMEMOUSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(N)CCCC12CCC2	2320258932	PXLDSPUHHPAIID-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CC)[C@H]1CC=CCC1	2320377489	ACTFXPNALMFOOJ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@@H]2C[C@H]2C(C)C)c1	2320586478	HWXCARKQELNCEO-ULQDDVLXSA-N	246.394	4.526	0	10	BJAE	
CC(C)CC12CC(C(=O)CCCCC3CC3)(C1)C2	2321533738	YGGRNZZFBUCRSV-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccccc1[C@H](O)C[C@@H](CC)CCC	2328273135	IBAFVJMPTIVOEY-WMLDXEAASA-N	248.410	4.889	0	10	BJAE	
Cc1ccc(OCc2ccccc2Cl)cc1C	5547150	AUKWCZJKFHOATP-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1c(C)c(C)cc(C)c1C	35491127	KNPFSBAKAHWZRZ-PIGZYNQJSA-N	247.426	4.617	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1ccc(C(C)(C)C)cc1	35493636	PCMQJCYISMVHRT-OAHLLOKOSA-N	247.426	4.681	0	10	BJAE	
CCN[C@H](CC)c1ccc(C(C)C)cc1C(C)C	35548468	MFUUUSMEGUQLMC-QGZVFWFLSA-N	247.426	4.994	0	10	BJAE	
CCc1cc(Cl)c2cc([C@@H](C)CC)ccc2n1	36913079	ICPBTLZCTYKJTK-JTQLQIEISA-N	247.769	4.964	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)c1ccc(CC)s1	50402611	IZLJCYFMUDUIKX-NWDGAFQWSA-N	239.428	4.540	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@H](NCCC)C1	70745321	ASXLIXJADBJGTH-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CC(C)c1ccc([C@@H](C)c2ccccc2)cc1	75842444	GTIHEHGCHKJTCQ-AWEZNQCLSA-N	224.347	4.962	0	10	BJAE	
CCC[C@@H](C)CNc1ccc(C(C)C)c(C)c1	83360402	WLQJBFHQYQSYGG-CYBMUJFWSA-N	233.399	4.967	0	10	BJAE	
CCCC1CCC(Nc2ccsc2)CC1	85529101	PBOKNIUTKOKNPP-UHFFFAOYSA-N	223.385	4.519	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H](C)CC(C)C)CC1	86939083	VGFKLMZLTXGMMJ-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CCCC1CCC(C(=O)CCC(C)(C)C)CC1	87959263	VZHNIWMLOBBZQW-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)c1ccc(C(C)C)cc1	92596538	PPRILGPNBYJOQG-PBHICJAKSA-N	247.426	4.692	0	10	BJAE	
CCCNC[C@H](C[C@@H](C)CC)c1cccc(C)c1	93127087	OOZVCISYIUGARJ-YOEHRIQHSA-N	247.426	4.514	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCCC1(C)C	94305145	YXRXQRXFGFNCJL-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
CCC(=O)CC[C@H](CC)c1cccc(Cl)c1	107498370	TVCYRJHYVAJJEU-NSHDSACASA-N	238.758	4.593	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)c1ccc(C)cc1	109719843	KIDTUOLUEFPVSU-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccccc1OCC(C)C	109911411	BMPFNADWYZUDTG-KGLIPLIRSA-N	249.398	4.568	0	10	BJAE	
Cc1cc(C(C)C)c(Cl)c(C(C)C)c1	111352226	WURDTYCULJKTHQ-UHFFFAOYSA-N	210.748	4.895	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H](C)C(C)(C)C)c(C)c1	111646308	IIFSJMLPTQSYBG-CQSZACIVSA-N	246.394	4.867	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(C(C)C)cc1	112885189	FVPZKZMHRYJLRO-INIZCTEOSA-N	234.383	4.814	0	10	BJAE	
Clc1cc(C2CCCC2)nc2ccsc12	125126680	GBXNKOYODVSGDW-UHFFFAOYSA-N	237.755	4.607	0	10	BJAE	
CC(C)[C@H](C)N[C@H](C)c1cc2ccccc2s1	126421808	LJJXCXATEJUXJE-NWDGAFQWSA-N	247.407	4.596	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C1CCC(C)CC1	148286504	HJELMGPCOZJYFQ-BCLQGDPASA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(-c2ccc(Cl)c(O)c2)cc1C	156764623	ACGALLCPGABIBT-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CCC1CC(CNCC(C)C)(C2=CCCCC2)C1	161467187	CKTHQWHUSGQPPN-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)c1ccccc1C(C)C	164021976	WHUFBEHCKUVMNM-RHSMWYFYSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(CNCC)C(C)C	164335725	RKHQUIQGUAKLJV-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC[C@@H](C)[C@@H](C(=O)CCC(C)C)c1ccccc1	164733814	ZATOZYZHCYZSJZ-RHSMWYFYSA-N	246.394	4.822	0	10	BJAE	
CN[C@H](CCCC(C)C)C1CCC(C)(C)CC1	165890276	YWNQZCOZYFRFHU-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@H]2CCCCC2(C)C)c1	226779513	NDSGIDFTRGRAFX-OAHLLOKOSA-N	244.378	4.703	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC[C@@H](NCC)C1	227719347	RNJDIUWBAJTKPL-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C1(C)CCCC1	229163338	RXRRXUDBELGXNB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	229190877	KBVIAMKMPMYXQR-VNHYZAJKSA-N	238.415	4.844	0	10	BJAE	
CCCc1ccccc1N[C@H](C)CC1CCC1	229678397	FWVOAQDBTOBLJC-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](CC)CC[C@H]1NCC	250800519	CLNQNVUFNQWVKG-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H]1CNC(C)C	251304658	IBZZPRJEUVJOGS-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H](C)[C@H](C)CC)CC1	251416370	XXVYIJOPSGJDTE-FPCVCCKLSA-N	239.447	4.760	0	10	BJAE	
N[C@H](CC1CCCC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	253041025	KXYIJDKEHSLTOT-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
Clc1cccc2c([C@H]3C[C@H]4CC[C@H]3C4)c[nH]c12	300256920	FAWMFIGVQJTZDZ-NHCYSSNCSA-N	245.753	4.725	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)CC1=CCCCC1	302238999	CJMUCCKTJBEFMI-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)c1ccc(CC)cc1	302388281	NNGUKBAGKKUBCV-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](N[C@@H](CCC)C1CC1)c1ccccc1	302445201	BRDJSXUFLFIYKP-IRXDYDNUSA-N	245.410	4.696	0	10	BJAE	
CCCN[C@@H](C)C1(CCC2CCCCC2)CC1	305894606	AYXOOMWLVAQHAE-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@@](CN)(CCC2CCCCC2)C1	306009511	WOQMWOJUYDRKGK-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1cc2ccccc2s1	306105700	SGECLFONUMQQJC-ABAIWWIYSA-N	248.391	4.617	0	10	BJAE	
CSc1c(Cl)cc(C)c2sccc12	306740828	UFFBQMPRVLKHKP-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1csc2cc(Cl)cc(Cl)c12	306816843	BYKVXUPIVUEFLT-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)C[C@@H](C)c1ccccc1	308011921	CGGVJCPJXGMBPQ-INMHGKMJSA-N	248.410	4.613	0	10	BJAE	
CCCCC[C@@H](NC)[C@H](CCC)CC(C)C	308042746	CZQPNTJZEQGDEI-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](C)NCC(C)(C)C1=CCCC1	308759699	UNHUWTBDGJGJOX-AWEZNQCLSA-N	237.431	4.681	0	10	BJAE	
CCCC(=O)CCCC1CCC(C)(C)CC1	309417264	HCQSGWWHDQWGOX-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@H](C)CC(C)C	310085682	AKLLKCRWWYMZLW-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)C1(CC(C)C)CCCC1	310127402	XNFSCVPWPIPCKW-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@H]1CCC[C@@H](C)C1)NCC	310526067	OUWSSIASXRNUHH-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)CNc1ccc(OC(C)C)cc1	310580420	RODASSLDGLLRBL-CQSZACIVSA-N	249.398	4.568	0	10	BJAE	
CC[C@H](Nc1cccc(F)c1)c1cccc(C)c1	310611132	CODLWZXPYGAWIE-INIZCTEOSA-N	243.325	4.697	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@@H]2CCC[C@H](C)C2)c1	310784813	SMUONJJBVMTGAF-SWLSCSKDSA-N	244.378	4.703	0	10	BJAE	
CC1(C)CCC(Cn2ccc3ccccc32)CC1	310801967	XLJUBRVFHCITDE-UHFFFAOYSA-N	241.378	4.858	0	10	BJAE	
CC1(C)CCC(C[C@](C)(O)c2ccccc2)CC1	310821042	BREXCSHQKAGZQN-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
Cc1cc(C)cc([C@H](C)NCCCC(C)(C)C)c1	313266609	RJWBVISUWVYPIR-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](Nc1cccc(C)c1)C1CCCC1	313434438	SLKUZAZFILAVJA-MRXNPFEDSA-N	231.383	4.766	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)CC/C=C/c1ccccc1	323979480	DYYAYTJRESXGHN-WAWSXARKSA-N	246.394	4.523	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CC2CCC(C)(C)CC2)C1	379960191	KQACWSJUBBQUEY-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@H]1CCCCC[C@H]1N)C1CCCCC1	380077547	DGMXTWHENPSXOA-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCC1CCC(C)(C)CC1)C(C)(C)C	383679009	OGCLCPKJUFXBAM-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2CCCC[C@@H]2C)n1	385038215	QUCHHDGPTQJKTM-SRVKXCTJSA-N	237.412	4.950	0	10	BJAE	
CCOc1ccc(NCC(CC)(CC)CC)cc1	395224939	NUIJJQAPJOBFQM-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CCOc1c(C(F)F)cc(C)c2ccsc12	396244946	OUZFJYFZOGSVKC-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)CC1CCCCC1	400464613	NJHGQGMDPUPYQX-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
Clc1ccc2c(ccn2C[C@H]2CC=CCC2)c1	402137360	GLQYFXZEXFIALK-LBPRGKRZSA-N	245.753	4.651	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@@H]2CC=CCC2)cc1	402271409	IOZCVGOMETXEAK-PBHICJAKSA-N	243.394	4.556	0	10	BJAE	
CC(C)(C)[C@@H]1CCC/C(=C/Br)CC1	606291526	RIHDYRRKZYNBNT-DWOQACPDSA-N	245.204	4.892	0	10	BJAE	
CCCC1([C@H](O)C[C@@H]2CCC[C@@H](C)C2)CCC1	686921477	DZLXOIYKYGGPTP-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)c2ccco2)c1	689613943	PVDPSPJIEFGLEN-GFCCVEGCSA-N	243.350	4.578	0	10	BJAE	
CCC(C)(C)CNc1ccc(C2CCC2)cc1	690086327	TXXKNBULKYPCQD-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCC2=CCCCC2)C1	690297714	CNNWRASFQOYCGG-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
C1CCC(CCCNC[C@@]23CCCC[C@H]2C3)CC1	693560213	WFJSWYCVELHQKY-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@H]2C2CC2)cc1C	696102214	BRBVIPKJOFPKDV-DLBZAZTESA-N	243.394	4.684	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CC(C)(C)C1CC1	697810624	OZTAUICSFXBHIV-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@H](N)C1CC(C)(C)CC(C)(C)C1	701186011	XXHUXMPFZBUCEA-CYBMUJFWSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](O)c1ccc(C2CCC2)cc1	703969620	QSSMPGFMULEANJ-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCCCC[C@H]1C(C)C	704461597	UJBCMKVDNGQRPJ-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CC1CCC(C)(C)CC1	704892781	VTMPZNBUQIDIEL-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H](C)CC(C)(C)C)C[C@H]1CCCCN1	709097383	QSBMZABWICQYHH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](O)c1csc(Cl)c1)C(C)(C)C	710773529	OQDCARWZVLDPDE-PSASIEDQSA-N	246.803	4.507	0	10	BJAE	
C[C@@H](Cn1ccc2cc(Cl)ccc21)C(C)(C)C	711154103	WBFJUWCSAAJLFS-NSHDSACASA-N	249.785	4.977	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)C[C@@H](C)C(C)(C)C	711156536	HMXVPXVBZOIQFH-BTTYYORXSA-N	241.463	4.719	0	10	BJAE	
CCCNC[C@H](CC(C)C)C[C@H](C)C(C)(C)C	711185161	USQVJOUZWWLLSN-LSDHHAIUSA-N	241.463	4.721	0	10	BJAE	
Cc1cscc1N[C@@H]1CC(C)(C)CC[C@@H]1C	713048714	JMRRFHQRANXXTL-CMPLNLGQSA-N	237.412	4.683	0	10	BJAE	
CC(C)C(C)(C)C[C@H](F)c1cccc2c1NCC2	713153846	QJUUNUBNSRJVDZ-AWEZNQCLSA-N	249.373	4.738	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)CC(C)(C)C1CC1	718507882	QMTBEITUNKJHRN-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCCCC[C@H]1NCC[C@@H]1CC=CCC1	719188473	JEAHPBFOSAMTAV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@@H]2CCC=CCCC2)C1	1179764471	WDFRAZNHFPZMPG-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(SC[C@H]2CCCC[C@H]2C)cc1	1472938404	HHIPCLNKXGQXLS-ZIAGYGMSSA-N	234.408	4.913	0	10	BJAE	
C[C@H](CN(C)[C@@H]1CCC[C@@H](C)C1)CC(C)(C)C	1657093690	PUHBDUHZFJFBBO-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H](C)[C@@H](C)C1)C(C)(C)C	1659822403	HHNPTEADRZQASC-XQLPTFJDSA-N	239.447	4.616	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H]1CCCC(C)(C)C1	1664776350	VIQZBAIQHRMEKU-CABCVRRESA-N	237.431	4.680	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)C[C@H](C)C(C)(C)C	1901682733	POJJONDSNFIDTF-AVGNSLFASA-N	226.404	4.556	0	10	BJAE	
CC[C@H](c1nc(CCC2CC2)cs1)C(C)C	1901903454	JTDMWYNVQRLNNR-ZDUSSCGKSA-N	237.412	4.635	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H](CC)CCC	1905382385	OOJXWHLYLXKLTH-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1sccc1CC	1905442780	FOJZCTVTAJKVBL-AAEUAGOBSA-N	239.428	4.527	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(C)cc1C	1912055450	LNAWFJVVILLXDZ-ZDUSSCGKSA-N	202.341	4.763	0	10	BJAE	
CCC(CC)C[C@H](O)C1CC2(CCCCC2)C1	1912725968	FWSUUYZYGZGSIC-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCN[C@H]1CCC2(CCCCC2)C1	1915853524	AGXTXQYNPWIUES-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](C[C@@H]1C=CCCCC1)NC	1925898991	SRGSHLAEAHUQQN-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN[C@H](C)C(C(C)C)C(C)C	1926205652	SSRAYGCJUHMDMR-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccc(C2CCC2)cc1	1926380036	OUUGTZJDHQRGMZ-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cc(C)ccc1Cl	1939404121	DMSCXIOZVQMSPE-GFCCVEGCSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@H](CC)C[C@](N)(CC)CC1CC1	1939405500	SXRQILLDVJVEBX-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)CC1(C)CC1	1940884293	RWZRFZYVHBBJIU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)CC(C)(C)CC	1940884423	YCZJNHDUXNXQAD-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(Cl)cc2c3c([nH]c12)C[C@H]1CC[C@H]3C1	1941015278	GZGRRWKREHJVAN-UWVGGRQHSA-N	245.753	4.570	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](N)C1CCCCCC1	1941266147	ADYZWFAHEIFGOL-JKSUJKDBSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@H](CNC(C)C)C1CC1	1942092708	HQLJVGRABNDCRU-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)C1(C)CCCCCC1	1942653320	PHZAZKFBJBRJBS-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCC)C(C)(C)C1CCCCC1	1944631068	IQEHSFQBYQZWRY-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C[C@H]1CC1(C)C	1944769994	VSOPHCCSORPHQS-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](C2(O)CCCCCCC2)C[C@H]1C	1947547171	PEBKOHHKQBVJNW-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
FC(F)(CC[C@@H]1C=CCCC1)c1ccccc1	1947560546	ARFBVWDXKMVVFV-CYBMUJFWSA-N	236.305	4.915	0	10	BJAE	
C1=CC[C@@H](NC2CCCCCCCCC2)CC1	1947880558	GXGVJLLGSQSCEG-MRXNPFEDSA-N	235.415	4.578	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCCC12CCC2)C(C)(C)C	1947897025	VVURRBZXWMPYLM-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)C1CC(C)C1	1948147018	RFUIRKZCMQSIHB-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(N[C@@H](C)[C@H](C)CC(C)C)cc1	1948327553	PTCUKZHSBGTPRG-KGLIPLIRSA-N	233.399	4.732	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)CCCC(C)(C)C)C1	1948984322	XYQAOICMPFUEGR-QEJZJMRPSA-N	237.431	4.523	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCC(C)(C)CC1)C1CCC1	1949040793	WGHMRYFNDQBELM-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1949064082	RGVNHXSQJCHLNP-FXUDXRNXSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](O)CC1CCCC1	1949868559	HGMIAQJXKDQXQU-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@H](O)CC1CCCC1	1949870297	OIYZTHPFSMQDAY-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@](CO)(CCC2CCCC2)CC1	1950907558	FOWXZYCJWFGIDE-GDBMZVCRSA-N	238.415	4.536	0	10	BJAE	
CC(C)C(C)(C)CC1(CO)CCC(C)(C)CC1	1950907570	FQWOFEPWHCOUBG-UHFFFAOYSA-N	240.431	4.638	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@@H]1CCC[C@H](C)CC1	1950910608	ICAQDYRAOWOPQG-IMJJTQAJSA-N	238.415	4.700	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CCCC(C)(C)CC1	1950915046	WNNYPQPVHLMKCQ-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CCNC[C@]1(CC(C)C)CCCC(C)(C)CC1	1950921781	JBYBCBPHERLMLZ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@H]1CCC[C@@H](C)CC1	1950924981	PDWYGCBZMPVIIM-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)NCc1ccccc1C(C)C	1963238833	XJRVFQNJRGGENZ-MRXNPFEDSA-N	247.426	4.868	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H](C)CC(C)C)s1	1978450521	QZTIKGFWCGJESA-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](CCC(C)(C)CC)C1	1982567911	UTQBEGMLFGANCU-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)CCC[C@H]1CC(=O)CC(C)(C)C1	1986222320	BEODSDRFEPPUBB-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](C(C)C)[C@H](C)C1(C)CCCCC1	1995975822	RFPWZHBRCWRSFY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(O)C1CCC(C)(C)CC1	1996561594	NVASNVBKDNQHIC-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)NC[C@H]1CCC[C@H](CC)CC1	1997098959	ABJGLJMVNNLCRS-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCC(C)(F)F)CC1	1997106592	WAJMVASPQOVANT-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C(C)(CC)CC)CC1	1997116130	JFERISLSBGHUIR-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@]1(C)CC=CCC1	1997551207	JRVHXLQDJSDWRS-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)C[C@H]1CCC=CCCC1	1999981652	QFMJDWPYFVPIKT-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@@H](C)C1(N)CCC2(CCCCC2)CC1	2000283826	DCKVLCMOBQEDCC-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](C)(CCC(C)(C)C1CC1)CNCC	2000520833	OPHUFKPRLQBRJZ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CN(C)[C@@H]1C[C@@H](C)CC(C)(C)C1	2000896775	ORTNLANGOIGSQU-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCCC1CCC([C@@H](C)[C@H](CC)NCC)CC1	2002922417	YLDDYDXDHCUXSU-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
Cc1csc(C(=O)CC2CCC3(CC2)CC3)c1	2003287070	HLCVGXGFHRELDQ-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCC1CCC([C@](C)(O)CCC2(C)CC2)CC1	2009543136	CMWNPBAASCNEAD-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCCNC[C@@H]1CCCC(C)(C)CC1	2009594410	GAMZKDQELYXJFT-MBVDDHJVSA-N	237.431	4.539	0	10	BJAE	
CCCCCC1CC(NC(C(C)C)C(C)C)C1	2009718031	RTFFKNIBCPIBHA-UHFFFAOYSA-N	239.447	4.616	0	10	BJAE	
C=C=CCC[C@@H](NCCC)c1cccc(Cl)c1	2010989457	RLIRLTHSAZJALP-OAHLLOKOSA-N	249.785	4.502	0	10	BJAE	
CCC[C@H](O)C1CCC2(CCCCCC2)CC1	2013204577	KXRWWCQYOZIYAC-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
Cc1c(-c2cccc(O)c2)sc2ccccc12	2014303788	JVEAEZRMZVWVNO-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCc1ccc(N[C@H](C)C2(C)CCCC2)cc1	2014339005	RIYJSSDUPFNJAC-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2(CC(C)C)CC2)C1	2015743887	WWNCQASYBUBMGD-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@@]1(C)C[C@@H]1C	2016464477	CJJUKFMKNRHCNT-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CN[C@H](C)[C@@H]1CCCC(C)(C)C1	2017465548	WKMBOZZTCFNFJW-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)CC(C)(C)CC)CC1	2017658160	KYBFPFDAJGGJKG-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC[C@H](C)CC1)[C@H](C)CC	2017723536	UKWJNJIYXRECEU-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@H](N)C2CCCC2)CC1	2017726519	ZLLUOWLAKUOOPD-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CCC[C@H]2C)CC1	2017731731	VDUTZNBGDZAGGE-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H]2CCC(C)(C)CCC2=O)CC1	2018925477	UETXZGAPHPUJID-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(CC)CN(C)[C@@H]1CC[C@@H](C)[C@H](C)C1	2019121055	DOHDIRJSGGEKLG-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCCCCC[C@@H]2C)C1	2019199921	FSXLLMWFPIHCEQ-XHSDSOJGSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H](CC)N(C)C[C@H](C)C1CCCCC1	2019233322	VQAPEYHEUWMXKF-GOEBONIOSA-N	239.447	4.713	0	10	BJAE	
CC(C)[C@H]1C[C@H]1Cn1ccc2cccc(Cl)c21	2022546781	KJKZIQSYLRLSSQ-QWHCGFSZSA-N	247.769	4.587	0	10	BJAE	
Cc1ccc(Cl)cc1[C@@H](N)CC1=CCCCC1	2023171099	VCBJUTARHUQRQH-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2CCC=CCCC2)C1=O	2023994825	WOSXKAGXLALOIL-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H]2CCCC(C)(C)C2)N1	2024102911	WYCWLANTDWTTFH-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCC1(C)CC(O)(C[C@H]2CCCC(C)(C)C2)C1	2024121308	CWYTWNGEGGQSLX-JEYLPNPQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC1(CCC)CC1	2026169412	IHFUTZDAKQYQOC-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CC1(C[C@](C)(N)[C@@]23CCCC[C@H]2C3)CCCCC1	2027307808	YAGLMAVTCMNWGP-BHYGNILZSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C1=CCCCCC1	2027517678	JOLNQBXUDLNQDS-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CCC[C@@H](C(=O)c1c(C)cc(C)cc1C)C(C)C	2028254163	DIMCPLSLRPRUPF-OAHLLOKOSA-N	246.394	4.867	0	10	BJAE	
CCC[C@H](c1nc2c([nH]1)[C@@H](C)C[C@H](C)C2)C(C)C	2028264775	QBOKVNGZIJJEOO-AVGNSLFASA-N	248.414	4.635	0	10	BJAE	
CC(C)(C(=O)c1ccccc1C1CC1)C1CCC1	2028561618	BXUTYKSZACNDOI-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C1(C)CC(C)(C)C1	2029105326	NBGRCRXUENGJRZ-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1C(=O)C1(C)CC(C)(C)C1	2029111985	MWYHITYGAGZWKR-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCCCCC[C@H](N)c1cccc2c1CCCC2	2029695427	YYXBCIVFADBFRB-KRWDZBQOSA-N	245.410	4.536	0	10	BJAE	
CC[C@H](Nc1ccccc1C1(C)CC1)[C@H]1C[C@@H]1C	2032246414	QBGHEPKYOUXLLY-YDHLFZDLSA-N	243.394	4.585	0	10	BJAE	
Cc1ccc2oc(C(=O)C(C)(C)C(C)C)cc2c1	2032306391	QEMQIRWPTKEUJL-UHFFFAOYSA-N	244.334	4.606	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NC1(C2CCCCC2)CCC1	2033056859	KLXSOIPRKXDMHV-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CCC[C@@H](F)C1	2034892170	RIWJZWDWHUPHTL-CHWSQXEVSA-N	248.341	4.521	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCC1)C1CCC(C)(C)CC1	2035597324	BWYSXEYWCVWLEJ-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCNCC1(CC2(C)CCCCC2)CC2(CC2)C1	2036199986	LLCMSDXQPKSOPZ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(CCCC(=O)c2cccc(C3CC3)c2)CC1	2036357974	JENGGVLXYDVFRA-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
N[C@]1(C[C@H]2CC=CCC2)CCCC12CCCCC2	2037160241	XDNWJALVJWWNEK-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2037574390	DRWHFVROZRYNBB-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)[C@@H]1CC[C@@H](C)C1	2037676712	XMSOZGUZTJMNKE-UKRRQHHQSA-N	244.378	4.504	0	10	BJAE	
CCC[C@@](N)(CC1CC2(CCC2)C1)C1CCCC1	2038079133	RNDZWXLHELWWML-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1ccc(C2CCC2)cc1	2040724590	XDGBLGTVVIXHCX-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@@]1(C)CC=CCC1	2042025783	YNFCKAVSEVYWBI-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(N)CCC23CCCCC3)C1	2045382773	SVYXZUIMTLPDNI-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C(C)=CCC[C@@H]1C	2045682628	OXHCCSYYEOLDEF-XUWVNRHRSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CN(C2CCCCCC2)c2ccccc21	2046562519	SKUYBKMNAJIKFX-UHFFFAOYSA-N	243.394	4.507	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CC12CCCC2)C1CCCCC1	2047065368	MOIOECCTPHPHTH-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@H]2CC23CCCCC3)C1	2047065657	OZFYPDXRFQVLGI-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc(NCC2(F)CCCCC2)cc1	2047243554	IAHQQEJSCAMKLD-UHFFFAOYSA-N	249.373	4.723	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2047342188	VJPHSKGIKXPRSI-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2048368726	BPQXEWULXRDIDO-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC(=C2CCC3(CCCN3)CC2)C1	2048947136	LCWMMNIALGAGOJ-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCCc1ccccc1O[C@H]1[C@H]2CCCCC[C@H]21	2049190042	YRMLQOVYSIALQK-SCAQPMJSSA-N	244.378	4.597	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)[C@H]1CC[C@H](C)CC1	2049634518	JKRWYILOQQFDDI-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC2(CC2)C1)C1CCCC1	2049864939	KZIIFDKEYPGRFI-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(NC2C3CCCC2CCC3)ccc1F	2050041628	KFXLJPHTMPRMRR-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](N2CCCC3(CCCCC3)CC2)C1	2051603863	DIGNRWIVBURCEP-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@@H]3CC[C@@H]32)c1	2052286433	KXHMFXXMIHBZFZ-XOKHGSTOSA-N	243.394	4.801	0	10	BJAE	
F[C@H]1CCCC[C@H]1Nc1cccc(C2CCC2)c1	2055146531	MXRMHAMIABDKKF-JKSUJKDBSA-N	247.357	4.647	0	10	BJAE	
CC=CCC1(CNCC(C)C)CCC2(CC2)CC1	2056525128	CVEHYPAUBLIULU-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C1CCCC1)C1(C)CCC2(CC2)CC1	2056559463	SYWZRCMACBPTQQ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H]1CCC[C@@H](CC)C1	2056879179	QRDKWFBKNXFUKX-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2056879463	SZTGLHNNCJQJLE-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2CCC3(CC2)CC3)CC1	2058993089	YPCHCOFQDYQKJN-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC=C([C@@](C)(N)[C@H]2CCCC(C)(C)C2)CC1	2060912919	HXRHGPQRDOUBBF-JLJPHGGASA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@H](NCCC)C1C[C@@H](C)C[C@H](C)C1	2061561081	NUEJQCZBKWWRNO-ZOBUZTSGSA-N	249.442	4.548	0	10	BJAE	
C=C=CCC[C@H](NCC)[C@H]1CCC[C@@H](CC)CC1	2061567096	UZBKSDYBABDRRI-IKGGRYGDSA-N	249.442	4.692	0	10	BJAE	
CCCC1CCC(NCC[C@]23CCC[C@H]2C3)CC1	2061570970	HENSPTFROGYVMO-XGHPGWEVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C[C@@]12CCC[C@@H]1C2	2061621356	FMZCXONADPXMIH-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC1CC(=C2CC2)C1	2061666129	WYDNZUCTNUSSAG-SJORKVTESA-N	247.426	4.565	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC1CC(=C2CCC2)C1	2061704516	RVMKXSNULYPPLW-CXAGYDPISA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1CC(=C2CCC2)C1	2061731592	VEFZAOCVXQUOEV-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
N[C@H](CCC1CCCC1)CC1C[C@H]2CCC[C@@H]2C1	2063490470	LIWRUMOGFVVQTL-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)CC23CCC(CC2)CC3)C1	2065303964	WOGJDJQMWYVZQN-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
NC(C=C1CCCC1)(C1CCCC1)C1CCCC1	2065935176	XTQVTSBMQWKRFL-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CCCC[C@H](CCC)Nc1cccc(C(C)C)n1	2066348598	DGFALYDUYBTMFW-AWEZNQCLSA-N	248.414	4.976	0	10	BJAE	
CCCC(CCC)C(=O)c1cccc(C(C)C)n1	2066379841	BFGBNEWFPFSQLR-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
CC(C)C(CCN[C@H](C)c1ccccc1)C(C)C	2068956587	UXMUMAOEJCNRTL-OAHLLOKOSA-N	247.426	4.656	0	10	BJAE	
CCCC1(CC(=O)C2CC3(C2)CC3(C)C)CCC1	2069290286	PKZUIONTUXVCCI-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC1(CC2CCC2)CC1	2069585068	MFILSHZAMOPWAD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1CC12CCCCC2	2070303038	FIRGJWLAJIVRMX-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCCC2(CCC2)C1	2070402342	GHPXPWFFCVFYKJ-JKSUJKDBSA-N	249.442	4.824	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)C1(C(C)(C)C)CCC1	2071935869	GJXDKLCNKFVHKR-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1ccc(C)cc1C	2072418826	JMHADEZCIKNPTF-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2cc(F)ccc2C)CC1	2072794967	ZICZSDXWABFTQB-HDJSIYSDSA-N	249.373	4.762	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(CN)CC=CC[C@H]2C)CC1	2072799134	PNGXPNGKOULPBA-QBPKDAKJSA-N	249.442	4.524	0	10	BJAE	
CC[C@H]1CC[C@H](C=C(C)c2ccc(N)cc2)CC1	2072812481	MIICUYWJMVNRDI-SHTZXODSSA-N	243.394	4.889	0	10	BJAE	
CCCCCC1CC(N)(C[C@]23CCCC[C@H]2C3)C1	2074035628	XXWONZMFKBBEBE-VUROTCPHSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(CN(C)C2CCCCCCC2)c1	2074785117	QBBLUFATRQTKJN-UHFFFAOYSA-N	245.410	4.540	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N(C)[C@H](C)c1ccccc1	2074791332	RDBPXKVZSSDZRX-BFYDXBDKSA-N	245.410	4.648	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CC1)[C@@H]1CCC1(C)C	2077262054	KYBVXMZNUCYVDJ-DOMZBBRYSA-N	243.394	4.801	0	10	BJAE	
O=C(CCCC1CC1)C[C@H]1C[C@H]1C1CCCCC1	2079850737	HCIHYDUOSNVNNO-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)CC1CC(CC)C1	2084998634	ROAPVDAWJXRIGI-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](CCCCCCCC1CC1)[C@@H](C)O	2212451313	SZYIPPYCDRDRJY-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)NCC(C)(C)CCCC(C)(C)C	2212578627	BYHKDXJWTYXMHZ-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCNCC(C)(C)CCCCCCC1CC1	2213576811	VDTQOLNOIRVLJI-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@@H]2CC[C@H]2C)CC1	2214969763	HNEBLTSSNCDJEG-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C(=O)CC[C@H]2C[C@H]2CC)CC1	2215331529	LACFYKZOODZOAH-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CCCCC(=O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216748289	UNJMDAOMYGRCQS-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CCC[C@@H]2CC[C@H]21	2218720468	JEQBTXXYTSOFME-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)[C@@H]1CC=CCC1	2218720735	LSRLMLAIZVDICO-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@@]12CCCC[C@@H]1C2	2220044488	IRORFHIDRAJAAB-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](CC2(C)CC3(CCC3)C2)N1	2221029694	BFLBXMRQZWKMGH-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)C2CCC(C)CC2)CC1	2221610790	WHHZBVZSJLPAKX-BDVYOWHSSA-N	249.442	4.633	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)CCC(C)(C)C2CC2)CC1	2221618046	FPCNQTGACWRITQ-NVXWUHKLSA-N	249.442	4.667	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)C=CCCCC1	2223111749	ZDLCOYSFSRQRTN-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1C[C@H]2CC[C@H]1CN2	2223133522	WXSMNIPFZNLRPM-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCc2c(C)cccc21	2223573048	OWYFPSAUHHJKPV-YOEHRIQHSA-N	245.410	4.541	0	10	BJAE	
CC(C)=CCC[C@H](N)c1ccc(C2CCC2)cc1	2223702307	NHAVGXNMIVUCQX-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CCCC1(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)CCC1	2224078752	IBKARZRGCOVIKS-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
O=C(CCC1CCCC1)c1ccc2occc2c1	2224195456	DMMIPSRRFPDPEV-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(SC)cc1	2244798742	BOMQTORAOLSZJI-LBPRGKRZSA-N	237.412	4.647	0	10	BJAE	
CC1CC(C)(C[C@](C)(N)CC2CCCCC2)C1	2246519101	JRSCRRBSJOHCLV-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CC[C@H]1CCC[C@@H](C)C1)CC1CC1	2246685781	ZFVWFKBXQZJEMF-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1CC1(O)CCCCCCCC1	2247343925	AOTXCWAXLNFSDG-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)Nc1nc(C)cc2sccc12	2249494379	UWNDUDMUPRVOMX-NSHDSACASA-N	248.395	4.595	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1(C)CC2(CCC2)C1	2250381068	KQUXOHWSDAESGX-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC1CC(C[C@@H](N)CC[C@H]2CCCCC23CC3)C1	2253782133	HVHBWMQXONFMNQ-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](O)CCCC[C@H]2C[C@@H]2C)cc1C	2254583994	KZHRYANENFMSBN-YQQAZPJKSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@H]1CCC12CCC2	2255011941	XTDCYSRLFXQYOO-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc([C@H](N)CCCC(C)(C)C)cc1	2256297217	HLUNTFXBXRYKGW-MRXNPFEDSA-N	247.426	4.855	0	10	BJAE	
CCCc1ccc([C@@H](C[C@H](C)CCC)NC)cc1	2256303038	OYCGEEAIPLSWAL-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
C[C@H](NCCCCC[C@@H]1C[C@@H]1C)c1ccccc1	2257320165	HZCDNAOPXBORAL-YQQAZPJKSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(NCCCCC[C@@H]2C[C@@H]2C)cc1F	2257325353	OVNWEDXTRUTQLG-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CC(C)C1([C@H](N)C[C@]23CCCC[C@@H]2CC3)CCC1	2260601248	ICTVTDVYAOVDDO-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@H](N)c2ccccc2)C1	2261194881	SCTFFUDEVZJEFE-ZBCRRDGASA-N	245.410	4.539	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(C2CC3(CCC3)C2)C1	2261367943	BYABDLAOKSHDRB-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@H](C)C1CCC1)CCCC(C)C	2300860048	CCAOQMIKDOXLSU-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CCCC12CCCCC2	2300879127	FGDVBDFYQAUNAX-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCc1ncsc1-c1ccc2ccccc2c1	2301774239	XHTTUPBTTHFVSR-UHFFFAOYSA-N	239.343	4.526	0	10	BJAE	
CCCN[C@@H]([C@@H](C)[C@H](C)C(C)C)[C@H](C)C(C)C	2301830038	UMUFJXMQLQRDNF-LVQVYYBASA-N	241.463	4.575	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCN(C)CCCC(C)(C)C	2303329463	BDWJMHRAABQLJE-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1NC1CCCCCCC1	2303396208	CVJZOACQZWNQOA-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303513564	QLTDARPZMFFTJI-LXTVHRRPSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1CCC(C)=C(C)C1	2303516374	ODKKSCLAIWOGPS-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)CC[C@@H]1CCC(C)(C)C1	2304440047	OSGZGELHPDUREN-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc(C2C[C@H]3CC[C@H](C2)C3)n1	2307702311	VOIILNKPMGNUGV-MPPDQPJWSA-N	247.407	4.560	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CC[C@@H]1C[C@H]1C)NCC	2307898466	KFYSXRRRLQOCKQ-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C[C@@H]1CCC12CCC2	2307906247	CVZSJHNUHMMCGW-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1CCC[C@@H]2C[C@@H]21	2309960454	NZMYYTPTPXNZDP-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1ccc(C)cc1C	2316501257	GFDYFCYBWTXONL-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1c(C)coc1CC	2316504305	UPPNOKPSJBKVBN-AWEZNQCLSA-N	249.398	4.547	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@]12CCCC[C@@H]1CCC2	2316542555	QXJDVPDOCITCGY-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316937280	AUNXJJQPKXWHGB-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)[C@H]1C[C@@H](C)c2ccccc2N1	2317950359	IKYFYGVQMBEXNK-VMUDFCTBSA-N	245.410	4.903	0	10	BJAE	
CC(C)NC[C@@H]1CC[C@H]1CCCC1=CCCCC1	2318593229	RKLZIWHQYPNYOG-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@H]1CC12CCCC2	2320156768	WZUXWDIDJGFZKH-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@](N)(CC[C@H]2CCC[C@H](C)C2)CC1	2320267960	KOLBBYOIIXHEHK-IAOVAPTHSA-N	249.442	4.811	0	10	BJAE	
CCCNC[C@@H]1CC[C@@H]1C[C@H]1CCC(C)=C(C)C1	2320390688	MEQOMXFMNOVWBO-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC(C)c1cccc(CC(=O)CCCC2CC2)c1	2320666380	WKARKUWTPSCCIH-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCC[C@@H](C)[C@H](N)c1c(C)c(C)c(C)c(C)c1C	19985694	AHJLLHDBLGNSPF-QGHHPUGFSA-N	247.426	4.665	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)(C)C)cc1)[C@@H](C)CC	35548320	SDKKOTKVNQANPO-XJKSGUPXSA-N	247.426	4.681	0	10	BJAE	
c1cc2cc(NC3CCCCC3)ccc2s1	36976078	BVCUJPSMCSWZAX-UHFFFAOYSA-N	231.364	4.646	0	10	BJAE	
CCc1ccccc1N[C@@H](C)c1cccc(C)c1	37213397	QRHGBGXRYBHEAK-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
CCC(=O)c1cccc(-c2ccccc2Cl)c1	38078187	ZCCXHBNYBKJDLW-UHFFFAOYSA-N	244.721	4.600	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc3c(c2)CCC3)C1	71105469	SFCHFJVRZBDXRM-BBRMVZONSA-N	243.394	4.556	0	10	BJAE	
CCCCC1(O)CCC(C(C)(C)CC)CC1	83502638	ATOMOAOAJHIMEF-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCC1CCC([C@@H](O)c2cc(C)cc(C)c2)CC1	85077875	MQDHMNOGOCNVNC-VMBOVVBDSA-N	246.394	4.553	0	10	BJAE	
CCCN[C@H](C(C)C)[C@@H]1CCC[C@H](CC)CC1	92599934	NWVASWGLPKCJKW-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)n1cc(-c2cccc(Cl)c2)cn1	94576231	FWIPKTMHIKTGSN-UHFFFAOYSA-N	248.757	4.565	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H](C)C(C)(C)C)CC1	122482529	PXKNIQBZJZMTDS-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(NCCC2CCCCC2)cc1F	125025314	UNKCTTMMUCRHKK-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CC[C@@H](C)/C=C(/CNC(C)C)C1CCCCC1	125572515	IRWBDWCXAAJEGY-VQCBNXJZSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C(=O)c1cccc(CC(C)C)c1	127690389	KUAYJTCDJDLPBT-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@H](C)CC(C)(C)C	133354085	WHMSWBBGDWEBFH-GXTWGEPZSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](O)c1cccc(-c2ccccc2)c1	137899424	KOOTWXCWXUREST-KRWDZBQOSA-N	240.346	4.577	0	10	BJAE	
CCCC[C@@H](CC)c1nc2c(C)c(C)ccc2[nH]1	143268403	LSVSFTXRTVGIDI-CYBMUJFWSA-N	244.382	4.864	0	10	BJAE	
Cc1c(Cl)c(F)c(Cl)c(Cl)c1Cl	144660699	BQAHRGOYVDXRJS-UHFFFAOYSA-N	247.911	4.748	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@H](C)C(C)(C)C	158728740	JGNMBTSGFLZPJQ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(F)c(-c2c(F)cccc2Cl)c1	160405224	MOEHGVKXWNJSIF-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CCCN[C@H]1CC[C@@](C)(C2CCCCCC2)C1	164802074	TVCOABMIAAWNSZ-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1csc2ccccc12	167247539	PRRNAHCKVCCSME-RISCZKNCSA-N	247.407	4.598	0	10	BJAE	
CCCCC1CCC([C@H](CCC)NCC)CC1	167267007	TWCUCOFIBJKLEX-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCCCC1(N)CC(C)(C)CC(C)(C)C1	168307153	BCSCAALAEVQURX-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CC(C)C)c1ccccc1C1CCC1	169026968	FYYSCLKFKOMXBD-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H](C)SCc1ccc(C(F)(F)F)cc1	201794330	HCGDORDFTQBWMA-SECBINFHSA-N	248.313	4.737	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCC[C@@H](C)C1	216301575	QFAIANLEWQPJGK-RBSFLKMASA-N	225.420	4.514	0	10	BJAE	
Cc1c(Cl)cccc1C(=O)CCC(C)(C)C	220258845	IUNDRILMGYOEJF-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC[C@H](C)c1csc(-c2cccc(C)c2F)n1	221860825	LNGUJGJNVSHQSC-VIFPVBQESA-N	249.354	4.771	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H]1CCC[C@@H](CC)CC1	226517916	RBNOALZHTVHXGN-FMKPAKJESA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@@H]1CCCCC1(C)C	226563088	ANPBVTCNSZSFPP-ZFWWWQNUSA-N	249.398	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@H]2C=CCCC2)cc1	232357778	VUTQNZXXDCIIQH-ZFWWWQNUSA-N	230.351	4.688	0	10	BJAE	
CCC(CC)[C@@H](NC1CC(C)C1)c1ccccc1	232862276	URBKBTVOGUDKFO-QWFMPGPPSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1ccoc1Cl	232995943	QCSYALWGFHGLME-JTQLQIEISA-N	242.746	4.722	0	10	BJAE	
CCC[C@H](C)[C@@H](CNC(C)C)c1cccc(C)c1	233346965	FRZJQWSFDBJWFM-DOTOQJQBSA-N	247.426	4.513	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	251712453	RJSKQUBRZXAQEV-NQBOGQKCSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C)cc1C	252966013	XJJAGKJZJWMSQK-BFYDXBDKSA-N	245.410	4.533	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)c1cccc(C)c1	300129477	CQYITTXPEQSUIH-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H](C)c2ccccc2)C1	300473898	YEFRWSKIGAOVEQ-FMKPAKJESA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)CCCNc1cccc(Cl)c1F	300958991	YFPBUOWVPZTHAZ-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCC1CCCCC1	302294858	YEGYQGSPTBEAHP-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](CNC(C)C)C(C)(C)C	302334272	LGIBESPEOGNJAL-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2/C=C/CCCCC2)s1	302337019	DQKCGSWBHHKDKD-DWOOFBTHSA-N	249.423	4.596	0	10	BJAE	
CCN[C@@H](c1cc(C)cc(C)c1)[C@H](C)CC(C)C	302545892	JAXKPEPMZWUTOK-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(CCC2CCCC2)C1	305894727	BMDUCVCWCGCYER-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCCCC1CCCCC1)C(C)C	305937177	KXDAOUVLQBWLBL-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCc1cc2c(Cl)csc2cc1SC	307580916	ZKKADZPYSJSQNS-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](NC)C1CCCCCC1	308104430	UIOQZAIFMFEIEL-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CCC1CCCCC1	308108042	XALUJDSKXAYTCN-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)C1(O)CCC(C(C)(C)C)CC1	310092088	ALEUCIYTIBUAJO-HLIUYOAVSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)c1ccccc1	310994565	HFQXHUNGJPMSQK-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NCCCC(C)(C)C)C1	313273738	SPKBHWPAJHBZJY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)Cc1ccc2c(c1)CC[C@@H](C)N2	319654079	PJTZNSTUBFHGES-MELADBBJSA-N	245.410	4.658	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C(C)(C)C1CCC1	322600662	MSPZDZZGLICFBN-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCN[C@@H](C1CC1)C(C)(C)C	324122687	QGSSLFSBASXISB-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCCCC12CCCC2	380116242	LSYRUYOPDDAVFF-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C(=O)CCCCCC(C)C)c(C)o1	383193085	XDWLJKYBXWJAMW-UHFFFAOYSA-N	236.355	4.686	0	10	BJAE	
Cc1cccc(OCCCCCC(C)C)c1C	383219916	FBAYPYFJODZNIE-UHFFFAOYSA-N	234.383	4.899	0	10	BJAE	
C[C@@H](CC[C@@H](C)c1ccccc1)CNC(C)(C)C	384842248	ZVJKIFDBLBLUDA-LSDHHAIUSA-N	247.426	4.595	0	10	BJAE	
C1CCCC(N[C@H]2CCCC23CCCC3)CCC1	385870274	YRQWEGAQNWIXSO-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CCc1ccc(NC[C@@H](C)C(C)(C)C)cc1C	393958872	MPDRCTVBJCSXAE-CYBMUJFWSA-N	233.399	4.652	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)CCC2=CCCCC2)c1	395173839	MQKHXBVZVSCJGA-KRWDZBQOSA-N	244.378	4.617	0	10	BJAE	
CCc1cc2cc(CC)c(CC)cc2s1	396208075	SZYLEROIPBLYCY-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CCc1ccc(C(F)F)c2scc(F)c12	396219224	QZLYRYLTARDKMH-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CSc1cc(C(F)F)c2sc(F)cc2c1	396240839	LBQCBAFZXUYVKP-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H](C)C(C)(C)C	399035121	MQOZDUPJZDBWMD-IHRRRGAJSA-N	227.436	4.602	0	10	BJAE	
CC(C)c1cccc(NCC=C(Cl)Cl)c1	403500741	YCCRRPUKXFVCHV-UHFFFAOYSA-N	244.165	4.541	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC(C)(C)C1CC1)NC	405811979	MUNDRVHOFHBSNA-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(=O)C1CC(C)(C)CC(C)(C)C1	688307281	FFWUUCFVRYIRMC-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@@H]1CC1(C)C	688941116	WEXIYTDVSHLJAF-JKSUJKDBSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(O)CC1CCCC1	689771288	YXMSXQGRTFYJTM-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC(C)(C)CN[C@@H](C)CC1CCCC1	689785622	SGKBWDLSTKHESW-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@H]1CCC12CCCC2	694334406	VZRIGTCAHIGSFV-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NC1C(C)(C)CCC1(C)C	699591789	BDCRTJPQWMGUPD-CHWSQXEVSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(CC)C(O)(CC(C)C)CC(C)C	701098451	CCCJGBDQTMRCFX-UHFFFAOYSA-N	228.420	4.636	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@]2(C)CC2(C)C)cc1	702140562	GAPYADHZJMBILI-KRWDZBQOSA-N	244.378	4.504	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@H]1CCC[C@@H](C)C1	704960397	YGCRBFPLRICQOB-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@H](C)CC(C)(C)C	709078735	KZLRZXPNJJHRLE-ZFWWWQNUSA-N	227.436	4.747	0	10	BJAE	
CC[C@@](N)(C[C@@H](C)CC(C)(C)C)C1CCCC1	709158629	CQZDZGOJXFEJEN-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1C[C@H]2CC[C@H](C2)C1	710924336	KOMXZJZKOGBVDM-DABQJJPHSA-N	249.785	4.639	0	10	BJAE	
CC[C@@H](C[C@@H](O)CC1(C)CCCC1)C(C)(C)C	711179657	LTDPPXUDSPLZJO-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@H](C)C(C)(C)C	711250764	AUFPPITUSYTIRW-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
Cc1cc(N[C@H]2CC(C)(C)CC[C@H]2C)cs1	713057771	HZGZCNSKTRLJGF-MFKMUULPSA-N	237.412	4.683	0	10	BJAE	
CCCNCC1(CC(C)(C)C)CCCCCC1	713293987	AEGIPQXWOXRENI-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)CC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	713304275	KSHACRGELGSGNU-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
C=C/C=C\CCC1(CNC(C)C)CCCCCC1	713722299	YHZNPPOWSZSPFV-WAYWQWQTSA-N	249.442	4.847	0	10	BJAE	
CCCNCC1(C2CCCCC2)CCC=CCC1	718134949	TZNRNHMCONTHGA-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C)[C@@H]1CC2CCC1CC2	718534652	UREYSBXPPRCCSH-VXLLPVPCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC)CCC=CCCC1	718996341	HKIKZKAVJBKXQW-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCCCCC1(C)C	719260644	NOALXVWLVQRGAJ-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)CCCCCC1(C)C	719270579	STFSMFTYLTZJMC-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CC1CCCCC1)[C@@H](CC(C)C)NC	720423663	GSVURYXIABBWOY-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@@H]3CCC[C@@H]32)c(C)c1	722078838	OTFQMRMMRYYIJF-HRCADAONSA-N	243.394	4.602	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C[C@@H]1CC12CC2	722606841	MJZBIORMXUHYIS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2C[C@H]2CC)CC1	723126051	CFDPFMKWQNYIGE-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@]1(O)CC[C@H]2CCCC[C@H]2C1	723649061	XYYUILAMOWIBNV-PMPSAXMXSA-N	238.415	4.678	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CC[C@H]3C[C@H]3C2)CC1	1474201006	LOCKJGRLRWQUEJ-OFQRWUPVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](Sc2ccc3ccccc3n2)C1	1613254718	HUDXHNQIKWDPOH-DGCLKSJQSA-N	243.375	4.516	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNC1CCC(C)(C)CC1	1655696135	FZBDTYSAYFLIGU-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C(CC)(CC)CC	1905374961	SEOLMLODITZULK-UONOGXRCSA-N	228.420	4.780	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@@H]1CCCCCCC1=O	1910807172	DKJSPFUJOPMGKW-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC(C)(C)C)C=CCC1	1916384890	GKKHDLBKASDBAU-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)CCC)C=CCCC1	1916563923	MWRKZACIIHVEHO-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@H]1CCCC12CCC2	1921586928	RLQRAKVABUUCTG-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCNC[C@@]1(CC2(C)CCC2)CCCC12CCC2	1921633096	MKMSWXRFQQBLFB-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	1924100865	ZGPPKGASGHJSBP-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@](C)(CNC)C1CCCCC1	1924109746	RLBCANJRVUZUCH-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)NC[C@@H]1CC[C@@H]1C[C@@H]1C=CCCCC1	1925889338	ARUDSBSTJWXAFC-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCCCC[C@@H]1CC	1926170184	HSLXTWVJUSOCLE-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCCC(=O)c1cc2sc(C)cc2s1	1934998344	VKAXAFUJVYNHOR-UHFFFAOYSA-N	238.377	4.644	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)C[C@@H](C)C(C)(C)C	1940242801	GZSFREZBVGBDAY-CJNGLKHVSA-N	242.447	4.738	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCCC1)C(C)(C)C	1940407875	JXFSGPFAESXSKQ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C(=O)c1ccc(C)c(C)c1)C(C)C	1941264644	NBPNDYRQXMIRBH-HNNXBMFYSA-N	232.367	4.558	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](CCCCCC(C)C)NC	1941266030	ZAQSBTJSJSILRH-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CN[C@@H](CCCC1CCC=CCC1)C(C)(C)C	1941793076	LSKZMGQDEPGWIH-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCCC(=O)C1(C)CC(C)(C)C1	1941981704	ISQAKBNKZILYPE-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)CC[C@@H](C)CC[C@H](O)c1ccccc1	1942654332	ZMWRCPZFHRYMNI-ZBFHGGJFSA-N	234.383	4.573	0	10	BJAE	
C1CCCCCC2(CCCCC1)CCCCN2	1943007854	LNDJYVGHSQATPI-UHFFFAOYSA-N	237.431	4.803	0	10	BJAE	
CCC(CC)CC(=O)[C@]12CCCC[C@@H]1CCC2	1944221529	JWJNRDQETPKFTE-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(CN)CCCC1(C)C	1944475067	HUVQJFOIKMLYKK-XJKSGUPXSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C1CC1)C[C@H](C)CCC	1944518748	XVPRFAUQRSEBSA-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CNC1(C)CCCCCC1	1945602178	AGZHBWDQUOWWLV-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)c1cccc2sccc12	1945969345	FGADTFMQVZAHCK-AWEZNQCLSA-N	248.391	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CCC1CCCCC1	1947469584	RBBSMIQTTOPBRC-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CCC1(C)CC(CNCCCCCC(C)C)C1	1948411114	MFEPPGSPOJIWER-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCCCC1(CNC2CC2)CC(C)(CC)C1	1948411872	VJPMFZRNKMOIHG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@](N)(CCC(C)(C)C2CC2)C1	1949031962	GHJIBLAKRUACIM-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@H]1CCC[C@@H](C)CC1	1950921698	IBZQFZGTDCLAFP-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cnc(-c2cc(Cl)cs2)s1	1955277391	ZVBZXWYCYUAROJ-UHFFFAOYSA-N	243.784	4.648	0	10	BJAE	
Cc1cc(C)cc(NC2C[C@@H]3CCCC[C@H]3C2)c1	1968308315	UWESKZDMTRAYQF-GJZGRUSLSA-N	243.394	4.684	0	10	BJAE	
CC1(C)CCC(NC2CC3(C2)CC(C)(C)C3)CC1	1969738078	HYFAAGQZZWODCO-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)[C@@]23CCCC[C@H]2C3)C1	1973100887	WKGHGUIGKAOQPU-KEYYUXOJSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CCCCCC(C)C	1976010821	ODMLHYYJHNOJHA-AWEZNQCLSA-N	227.436	4.747	0	10	BJAE	
CC1(C)CCC[C@@H](Oc2cccc(Cl)c2)C1	1978374785	NVWURUOSHQPMHC-CYBMUJFWSA-N	238.758	4.688	0	10	BJAE	
CC=CCCCC(=O)[C@@H](CC(C)C)C(C)C	1984588998	KPQGLQYWAMFXJH-AWEZNQCLSA-N	224.388	4.620	0	10	BJAE	
CC=CCCCOc1ccccc1C(C)C	1984596014	RVSMCKXPARCHDN-UHFFFAOYSA-N	218.340	4.545	0	10	BJAE	
C/C=C/CCC[C@@H](N)C[C@H](C)CC(C)(C)C	1984629808	KYNZRPFYLXGTSX-HYLRALAJSA-N	225.420	4.523	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1cc(C)sc1C	1985610218	ZCKHIKIZYZCXJY-ZDUSSCGKSA-N	239.428	4.581	0	10	BJAE	
CCCC[C@H](CC)CNC(C)(C)CCCC	1987092093	KTMVPVQNKZZGEI-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCCCC[C@H](CC)Nc1cccc(F)c1	1990092497	AKWLMJOGCHFIDQ-ZDUSSCGKSA-N	223.335	4.597	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(F)cc1	1990093143	ICPUJELHXWTDFQ-ZDUSSCGKSA-N	223.335	4.597	0	10	BJAE	
CC=CCCC[C@@H](O)CC[C@H](C)CCCC	1995258436	DOBHZBPPFVABTL-HUUCEWRRSA-N	226.404	4.700	0	10	BJAE	
CC[C@H](C)Cc1csc([C@H]2CC[C@H](C)C2)n1	1995460672	BLGWBXGDPGRTID-SRVKXCTJSA-N	237.412	4.635	0	10	BJAE	
c1sc(CCC2CCC2)nc1C1CCCC1	1995498684	RUFDIKIAPOVUAJ-UHFFFAOYSA-N	235.396	4.533	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](C)C1CCC(C)CC1	1996555630	SLJYPHGYRCEGKT-MYMJJRTCSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)C1(C(C)C)CCC1	2000325056	YXWWSJWFSVFSJA-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)N(C)[C@@H]1CCC2(CCCC2)C1	2000894082	BZPBQLXHXMHERW-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCC23CCC3)c(C)s1	2001850189	DGQBZWSSDFYBOB-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)CC(C)(C)C(C)C	2003174297	CNXKGCZQROOLCL-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@](C)(F)C(C)(C)F	2003225150	SODDSHZPPWTUIT-SMDDNHRTSA-N	248.357	4.638	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1CCC2(CC2)C1	2003286653	YTVRWIAVMGOWIR-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CCC2(CC2)C1	2003288459	SPHAWGKMSSMNOO-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1C[C@@H]1CC1(O)CCC(CC)(CC)CC1	2004353296	PAUOJVUKNCSGQS-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
Cc1coc(C(=O)C2(C)CCCCCCC2)c1	2004938010	YIFWUYSVHUHLEG-UHFFFAOYSA-N	234.339	4.521	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCCC)C1CC=CC1	2005752197	DXQCLKXYCHNLOI-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1C=CCCC1(C)C	2006900119	CJQJMTLIELWZCL-ZIAGYGMSSA-N	237.431	4.536	0	10	BJAE	
CC(C)=CCC[C@@H](N)C1(C)CCC(C)(C)CC1	2007699164	WHOQGXGNJKHNGO-CQSZACIVSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC1CC(C(C)C)C1	2007761126	PVNXNMJMFMHDQC-GYTBAZASSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@]12CC[C@H](Nc3ccccc3Cl)[C@@H]1C2	2009131639	OOQQPRYGJCKSAX-CORIIIEPSA-N	249.785	4.577	0	10	BJAE	
C/C=C/CCCC(=O)C1CC2(CCCCC2)C1	2009569605	QPAQHQAGDNRNHF-NSCUHMNNSA-N	234.383	4.662	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1CC(C)(CC)C1	2009621747	JOHSZMUFGHXXKX-URYLBVNFSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](N)C1(C)CCC(C)(C)CC1	2009634424	GMXFUMUZKZVVLY-GJBLVYBDSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@](O)(C1=CC[C@H](CC)CC1)C(C)(C)C	2010711997	FUBNQROEMVNYAK-XJKSGUPXSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CC=C([C@H](O)[C@@H](C)CC(C)(C)C)CC1	2010716446	NLNRGJWPXRLIJI-GZBFAFLISA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](CCC(C)C)C1=CCC(C)(C)CC1	2010717335	PFPMGHOHXLMTKL-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC=C(C[C@@H](NC)c2cccs2)CC1	2010762922	KAJYCXKSEJWNFD-TZMCWYRMSA-N	249.423	4.535	0	10	BJAE	
CCCC(C)(C)C(=O)CC1C[C@@H]2CCC[C@H]2C1	2012002505	OAFWQILMJKOBTN-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccc(C(C)(F)F)cc1	2012750109	SWFIKKSTINHLEE-WDEREUQCSA-N	241.325	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](C[C@@H](C)CC(C)(C)C)N1	2013525376	SRFAGYVVDSSZFF-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(N)C2(C)CCCC2)C1	2014337230	CLVJJZWYKGCZPK-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@]1(C)C[C@@H]1C	2016459341	DDTCMGPJMDDJSP-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C[C@@H]1C[C@@H]1CC)NC	2016852673	SHXZJJBGBMQSJB-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](C[C@@H](C)CC)NC)CC1	2017654528	FHGIGIHTWZOJPG-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](O)(CC)C1CC(C2CCC2)C1	2018130032	MHKHUIHKKLABJQ-UYSNPLJNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCCCCC(C)(F)F	2023295334	DVKCUFPNSSWTOK-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCCCC(C)(F)F)NC	2023298348	ZHJBBAMIFCLKCC-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2CCCC(C)(C)C2)C(=O)C1	2024100676	FBYUVTDOISOGNU-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC1(C(=O)C[C@H]2CCCC(C)(C)C2)CCC1	2024102061	PGCPKATYSOGBRJ-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H]1C[C@H]1C(C)C	2026169623	JUSYJNDXEQGNOD-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1cc2ccccc2o1	2028241752	URTMGAMOHUKSJB-BBRMVZONSA-N	246.350	4.539	0	10	BJAE	
CCc1ccccc1[C@@H](N)[C@H](CC(C)C)C(C)C	2028254113	CWFGPOOLJKRRML-IAGOWNOFSA-N	247.426	4.567	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)c1coc2ccccc12	2029838731	UBCAOSSCEPVYPU-BLLLJJGKSA-N	245.366	4.505	0	10	BJAE	
CC[C@@H]1CC[C@](CN)([C@@H]2CCC3(CCCC3)C2)C1	2037686713	ODHVHHZBFRRNMF-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](NC1C[C@@H]2CCC[C@H]2C1)C1CCCCC1	2038624087	XWPNFSQWRSEZJU-ZOBUZTSGSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@H]1CC12CCCCC2	2039010106	VXKMTLPYPCIORT-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)C1(CC)CCC1	2039719880	LYOMRTAHMIXZRR-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@@H](C=C1CCC2(CC1)C[C@@H]2CN)CC	2040493901	JHJWCWAOPUOHIW-NOYLFRNESA-N	249.442	4.668	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC1(C)C)[C@H]1CC=CCC1	2042023396	AXXGIPHOEOMMLP-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(CC[C@H](N)c2ccccc2)C1	2043001051	PJOFAMAUSBADFS-BCLQGDPASA-N	245.410	4.539	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H]1CCCCC1(C)C	2043193062	FUFWXEQFNIOAQT-HOCLYGCPSA-N	249.442	4.824	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@@H]1CCC=CCCC1	2045316207	BRYHFEGZHNXGJU-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)[C@H]1CCC[C@H]1C	2045321583	WZDADBYVTCDILT-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
c1ccc2c(c1)CCCCN2C1CCCCCC1	2046580257	AINMXBJQQDXAQI-UHFFFAOYSA-N	243.394	4.552	0	10	BJAE	
CC1([C@@H](N)C[C@H]2[C@H]3CCCC[C@H]32)CCCCCC1	2048439265	IWMIYWAFTAFYIU-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C1CCCCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049200330	HLOXOSXPMUMOTD-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]1[C@H](C[C@H]2C=CCCCC2)CC[C@H]1C	2049342277	SSKKFMOOPGDYGB-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@H]1CCCC(C)(C)C1	2049490752	SDMVUGXIADOCOY-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CCCC1)C[C@H]1CCCC2(CC2)C1	2049844875	FJSSWCLZIDLSSI-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2049861472	WQMIFFLIBAZYPK-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@]1(C)C=CCCC1	2049997522	OESDRUXUYUZQST-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCCC23CC3)c1	2053303961	HATLTDPJARPVKS-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
N[C@H](CCC1=CCCCC1)[C@@H]1CCCCC12CC2	2053418112	JWWDGBUKWDIICM-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
C[C@@H](CC1CCCCC1)Nc1ccc(CF)cc1	2055669770	OUKBRIZXKMYVSJ-ZDUSSCGKSA-N	249.373	4.927	0	10	BJAE	
CCC1(CC)CC(N)(C[C@H]2CC3CCC2CC3)C1	2058832693	CPAQYNXXKTUYCL-YMAMQOFZSA-N	249.442	4.501	0	10	BJAE	
CN(CCC1(C)CC1)[C@H]1CCC2(CCCCC2)C1	2059247312	ORIDTLRXIQUFSF-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@@]1(C)C[C@H]1C	2061142329	BUNZTMOWRNNKGB-WTTBNOFXSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)CN(C)Cc1ccc(C)cc1	2061966730	KKNYKZWPYPNGNM-UHFFFAOYSA-N	247.426	4.643	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@]1(N)CCCCC12CCCC2	2062645818	IEKNAMREHJKXQD-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)[C@@H]3CC=CCC3)C2)C1	2063211836	ULONWKYGYVUZQL-CQSZACIVSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2C[C@H](N)CC3(CCC3)C2)C1	2063642284	POFFATGOQSHENU-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](NCC12CCC(CC1)CC2)C1CCCC1	2065267873	OCIBOLYSABBAEV-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1cccc(C(C)C)n1	2066347427	QSFWQFVCIDRUPQ-ZFWWWQNUSA-N	246.398	4.586	0	10	BJAE	
CCCC[C@@H](CC)CNc1cccc(C(C)C)n1	2066348499	CCANRVLPBJOOOT-CQSZACIVSA-N	248.414	4.833	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)C12CCC(CC1)C2	2070414614	VOYQLHJCNXBIOH-NUWOQIAWSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2071189048	COUWTTPSKXFBAG-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCC1)C1(C(C)(C)C)CCC1	2071924600	SUDKWURRKLXXTB-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)cc(C(=O)C2(C(C)(C)C)CCC2)c1	2071927009	WEWHQBWAFVLKCA-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
Cc1cc([C@@H](N)CC2(C(C)(C)C)CCC2)c(C)o1	2071946016	LVFQHNIJEALZAR-AWEZNQCLSA-N	249.398	4.503	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)C[C@H]1CC=CCC1	2072089766	FBQBNZQSQNFLBQ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@]23CCCC[C@@H]2C3)CC1	2072802362	WYAWNDBNQYGWBW-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@]2(N)CC[C@H]3CCC[C@H]32)CC1	2072805994	HTYNFWIXMUSOCK-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CCCC23CC3)CC1	2072870389	BJLRUBMLFGQWGN-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc2c(ccn2C[C@H]2CC[C@H](C)CC2)c1	2072876928	CFSHHHFHAXHUFU-CTYIDZIISA-N	241.378	4.776	0	10	BJAE	
CC(C)CC[C@](N)(C[C@@]12CCCC[C@@H]1C2)C1CC1	2074023511	CSLJOGWJAXVBOU-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CCC23CCCCCC3)C1	2074893122	RQCADPPCMMQSRB-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1(CC2CC2)CCC1	2077187950	RLDQGOAQYLLIAD-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
NC1CCC(C[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079705814	JPHMBMQJCAIOSO-INXRADFVSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079820934	STFQGSKTAAGFNJ-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@H]1CC12CCCCC2)[C@H]1CC[C@H](N)CC1	2082133971	QCSZMCMCSRYQCU-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@H]2C(=O)C3(CCCCCC3)[C@@H]21	2083254074	WFXXKYLRJODCBG-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@@](N)(C[C@H]2CCC=CCCC2)C1(C)C	2084335420	KFMKVSKWWNBYES-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)C[C@@H]2CC23CC3)CC1	2086353302	WWRZRNPOPBGERR-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](C[C@H]2CC23CC3)NCC)CCC1	2086359873	WBZUZHXZGFNSGU-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCCCCCC1CC1)C1CC1	2213573239	FQUHCXLNNPRBOP-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCCCC2CC2)CC1	2214564838	YFJAYAMCMAHVAU-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CCCCC1CC1	2214565669	OOIGEZLTYRPYIW-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
N[C@@H](CCCCC1CC1)C1CCCCCCC1	2214566048	SCGZPWFGRVFJTE-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CC[C@H](CC2(C)CC(C)(C)C2)C(=O)C1	2215433529	PHGAPOCLPMMGIQ-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@@](CNC(C)(C)C)(CC(C)C)CC1	2215839706	LRGFFAZZCGYRLS-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C(C)(C)CCC	2216277030	FHNWBCYUILHPHE-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](CCCCCCCC2CC2)[C@H]1O	2216876481	XVUZEGQMMOJBOR-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
Clc1cc2ccccc2c(C2=CCCCC2)n1	2217019911	CFILIWITLSGLFK-UHFFFAOYSA-N	243.737	4.846	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN([C@H]2CCC[C@@H](C)C2)C1	2218168927	QRWZGGVEMPIBGM-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CCCC1(NCC2C[C@H]3CCC[C@H](C2)C3)CCC1	2218355127	ZEEGBKZTPQVZNJ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)C/C=C/c1ccccc1	2219060857	AXSWJTYXNFXXTD-PZJZIFHPSA-N	246.394	4.667	0	10	BJAE	
N[C@@H](C[C@@H]1CCC2(CCCC2)C1)C1CCCCC1	2220304768	GTAUYUJSOGEZEG-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC1(N)CCC(C2CCC2)CC1	2220880261	RKGXUYNFYQZNSE-AKBUMOGYSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	2222932388	DYMWEDDEWZLLAS-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
C(CCCN[C@@H]1C[C@@H]2CCC[C@@H]21)CCCC1CC1	2223158608	KXROXLXFVUKTSC-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC1(CNC2CCC2)CC2(CC2)C1	2223567445	XSGSGMQQERWUGN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@H](C)CC(C)(C)C	2244783324	PDZYBGGEUOYKFL-IHRRRGAJSA-N	227.436	4.602	0	10	BJAE	
CC(C)C[C@H](C(=O)CC1(C)CC(C)C1)C(C)C	2246558448	PETFOACBYLLBQM-BBBYJDLNSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)C[C@H](O)CC[C@@H]1CCCCC12CC2	2246630833	RACKNMDAZJRUEK-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC[C@@H]1CCC[C@H](C)C1	2246725501	IFKWBWKUDJZRQP-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(N)CCC(C)(C)CC1	2247161419	ATPWNYDAJZAJIQ-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CCCCC[C@@H]1C[C@@H]1C)CC1CC1	2248864549	CYONNVGIDLUOLP-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@]1(C)CCCC1(F)F	2250361152	KCTCHYFUDCWCLI-AAEUAGOBSA-N	246.341	4.597	0	10	BJAE	
CN[C@H](C)C1(CC[C@@H](C)CCCC(C)C)CC1	2250482646	VIBABVHEEDFKCD-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@H](O)c2ccc3ccsc3c2)CCC1	2253055787	GDLMBDGFUMUJDW-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC1CCC(N)(CC[C@@H]2CCCCC23CC3)CC1	2253807384	OBQKHDOIJFOIBJ-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CC[C@](C)(NCC[C@H]1CCCCC12CC2)C1CC1	2253891477	PWWAQYMMDMCMEV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC1CC2(CCCC2)C1	2254073622	VVVPPWCGABDBDX-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(C(=O)C1(C)CCCCCC1)C2	2254485090	ZPPMIUFYIQVZLT-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1CCC12CCC2	2254955057	REHJFMGOTHEFAD-AWEZNQCLSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C)[C@H]1CC1=CCCCC1	2255137625	PTYUDIUKWQEYTO-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](N)C[C@H]2CCCC23CC3)CCC1	2255224031	HQSYIESQEGVLMO-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1CCCC12CC2)NCC	2255228510	STYXVPAORGGWMD-KADIJHKTSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(CN)CCC12CCC2	2257281513	IIZYJXQUZYPSFS-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN(C1CCC1)C1CCC1	2257290194	MFJLYRSBNKALOB-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)Cc1ccc(C(C)C)cc1	2259438041	VTBFAKFXKJSJKD-NVXWUHKLSA-N	248.410	4.540	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)c1ccc(C)c(C)c1	2259451274	CLOGLAUAGZBRKX-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CCN(C[C@@]12CCC[C@@H]1CC2)C1CCCCCC1	2260576443	ZGWMYSAISXVVIF-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
CN[C@H](C[C@@]12CCCC[C@H]1CC2)C1(C)CCCC1	2260583735	QIBSFNNRMZWRRY-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
C[C@H](Nc1cccc(C2CCCC2)c1)C1(F)CC1	2260730817	MTEGGDNZXCAIBM-LBPRGKRZSA-N	247.357	4.647	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@]1(C)C[C@@H]1C	2300459281	NVVWDNOCAWYDEN-BBRMVZONSA-N	231.383	4.576	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1(CC2CC2)CCC1	2300681810	SOVKGTSXFJWLIB-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC(=O)C1CC(=C2CCC2)C1	2300702948	ZVGDZTOWGMCEEK-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1CC(C)(CC)C1	2300899187	LWQPNZNLYIRTBK-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1CC[C@@H]1C)CCCC(C)C	2300940362	RHVWGVSISHHXDJ-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CC(C)c1ccc(N[C@H](C)[C@@H](C)C(C)C)cc1	2301825719	NMVLCNUSGWDVHJ-UONOGXRCSA-N	233.399	4.903	0	10	BJAE	
CCN(C1CCCCCC1)[C@@H](C)[C@@H](C)C(C)C	2301968298	PXNKZWPZXRQPLO-GJZGRUSLSA-N	239.447	4.712	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CCCC[C@@H]2C[C@@H]21	2302991948	RXJINJVEHFTCRS-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CCC(CC)C[C@]1(CNC)CCC(C)=C(C)C1	2303584667	RHHIDKLZFAFAHF-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC[C@@H]1C[C@H]1CC	2303587591	IWDVMOXGPPMQLT-ZJIFWQFVSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@H]1CC)C(C)(C)C	2303590884	IXOJRENDXIZPQV-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(CCC)CNC1CC1	2307749476	KVANTNJNOFMWFP-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CC(C2CCC2)C1	2307908274	OXSDQRWBRWLPKD-GRTSSRMGSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1c(C)oc(C)c1C	2307920021	MRAGDLHIMPCITC-ZDUSSCGKSA-N	236.355	4.604	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN[C@H](C)CC)C[C@H]1C	2307922219	CRPAJEUAJBUQAV-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1CC2(CC(C)C2)C1	2307926789	QYOSAAGJEVUAJK-YRUXVQORSA-N	236.399	4.598	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1	2308937656	VVLILDUSMFGZCK-ZJIFWQFVSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CC[C@@]12CCC[C@@H]1C2	2310386845	ITMTWSJZKVTYOM-VVLHAWIVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@H]1C)[C@]1(C)C=CCC1	2310430955	FLOKEISFHVDGQB-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](C[C@@]23CCCC[C@@H]2CC3)[C@@H](C)C1	2313346284	JJVKKTOQEVXKKF-JBXGNFEISA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@H]1C[C@H]2CC[C@H]1C2	2316504631	XBGMFAUMLAHFQV-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C1(C2CC2)CC1	2316872225	HXOXBHBJVHARDN-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCN(CC1CCCCCC1)c1ccc(C)cc1	2316873625	HQAVXTPHSMOFCA-UHFFFAOYSA-N	245.410	4.792	0	10	BJAE	
CN[C@H](CC=C(C)C)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316879126	QWUIHSHFKOCKSJ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@@H]1CCCC1=CCCCC1	2318537481	FPFKHOVVVJOUDE-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
COCc1cccc(CCCC2=CCCCC2)c1	2318579292	FYCGJKSIJBESKY-UHFFFAOYSA-N	244.378	4.656	0	10	BJAE	
CC1=C(C)C[C@](CNC(C)(C)C)([C@H]2C[C@H]2C)CC1	2320387580	IEVBJFNQKFIQME-UKPHBRMFSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@H]2CCC[C@@H](C)C2)CC1	2320417966	ZWBMPGIJMYHWAH-XYPHTWIQSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCCC23CC3)CC1	2320424906	UPVMWVRHEBIKPW-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
CCCC[C@](C)(CN)Cc1cccc(C(C)C)c1	2320659654	GDJPNHWBPBKMHE-KRWDZBQOSA-N	247.426	4.508	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)[C@H](CC1CC1)C1CC1	2320771444	JEWLXVXWODUDRQ-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(-c2cc(C)ccc2C(C)C)c(N)c1	2327794271	HOYBPTCJJRMHML-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)CCc1ccc(C)cc1	2328267499	BJCOAIFLXITRAF-WBVHZDCISA-N	248.410	4.505	0	10	BJAE	
Cc1ccc(N[C@H](C)c2ccc(C)c(C)c2)cc1	19980019	QURVZSFKDKRSPD-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CCOc1ccc(N[C@H](CC)C[C@@H](C)CC)cc1	20551422	MKHOOMIAYKVTQC-UONOGXRCSA-N	249.398	4.712	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc2c(c1)CCC2	21032424	VUONIABVDUSBQK-CYBMUJFWSA-N	231.383	4.556	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCCC[C@H]1C	21501371	SLBIYSCSTCQDOH-ZWNOBZJWSA-N	237.774	4.639	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](CC(C)(C)C)NC)cc1	35469148	CMAATUGSVKFENY-CZUORRHYSA-N	247.426	4.897	0	10	BJAE	
CCC[C@H](C)CN[C@H](CC(C)C)c1ccccc1	37042747	KUQCPAXIXLCURY-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
Cc1ccccc1N[C@@H](c1cccs1)C1CC1	42328675	MXXZTZCVHJRLGO-OAHLLOKOSA-N	243.375	4.620	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](c1ccccc1)C(C)C	69372697	ZKJJZDLBHMGVFA-IAGOWNOFSA-N	247.426	4.942	0	10	BJAE	
CCCN[C@H](CCC)CCCCC(C)(C)C	70745721	XKWOHLHBFKDSQO-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1C	84981830	WIXBAGNIWRYZIA-XNRPHZJLSA-N	231.383	4.540	0	10	BJAE	
C[C@@H]1CC[C@H](NC(C)(C)CC(C)(C)C)[C@H](C)C1	85098032	XBUDBFVYJLYVGT-MCIONIFRSA-N	239.447	4.616	0	10	BJAE	
CCCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NC	85156678	OXECGFKRUDXGCJ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccsc1	85527805	WUMVPEPIYAIZHA-LLVKDONJSA-N	211.374	4.519	0	10	BJAE	
CC(C)(C)C1CCC(Nc2ccsc2)CC1	85528003	UFQPQODLNWDUEP-UHFFFAOYSA-N	237.412	4.765	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC(C)(C)C1	87769858	FWZRHHWDHKOXRG-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CCC(C)(C)C1	87772297	GSYSYENLVVGBPL-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CN[C@@H](c1cc(C)ccc1C)C1CCCCCC1	104004898	KDMGAYQFSXIXOD-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1cc(C)ccc1C	104048128	CLHNMMIROVJABT-ZBFHGGJFSA-N	234.383	4.553	0	10	BJAE	
CC(=O)[C@@]1(C)CCC2=C([C@H]1C)C(C)(C)CCC2	113264228	YQYKESUTYHZAGG-BZNIZROVSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)CCNCC(C)C	132765061	XWLKUEFGWPPOER-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
C1=C[C@@H](Sc2ccccc2)CCCCC1	140290445	NNKOGGXTRIMDBL-CYBMUJFWSA-N	218.365	4.668	0	10	BJAE	
CCC[C@H](C)C(=O)Cc1ccc(C(C)(C)C)cc1	164901222	GZQSLPORQYYGOC-ZDUSSCGKSA-N	246.394	4.532	0	10	BJAE	
CC(C)CCC[C@@H](CNCC(C)C)C(C)(C)C	166102329	PASWAWQCCUCKHQ-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C1=CCCCCC1	203417956	DPGFDVHAWNFKPC-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCCC[C@@H]1C(C)C	214571221	OEASJUDROTWORU-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CC1CCC(C(=O)[C@@H]2CCCCC2(C)C)CC1	226787621	VJBOIONMYJOBID-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CCC12CCCCC2	230171053	OJLITVZISPOFMD-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCN[C@@H]1CCC12CCCCC2	230175106	URIUOVZBVFKKCM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)CC2CCC2)cc1	232154957	MFCYEGVURIHALK-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CCCNC[C@@H](c1ccc(C)cc1)[C@@H](C)CCC	233084507	IVIKXTIALHCQEJ-DOTOQJQBSA-N	247.426	4.514	0	10	BJAE	
CCC[C@H](C)Cc1c[nH]c2ccc(Cl)cc12	233332795	WXIZXIKRKDHCIF-JTQLQIEISA-N	235.758	4.800	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)c1ccoc1C	233620651	XOTPUNJSICUTMY-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC(C)(C)C[C@H]1C	234146229	HJYKEPOAUVZFCI-HIFRSBDPSA-N	245.410	4.794	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC[C@H]1CNCC	251408759	WQHFIRJWPHZUEP-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC)[C@H](c1ccccc1)[C@H](C)CC	253196770	TYCBKIGSUQOWCQ-OIISXLGYSA-N	247.426	4.595	0	10	BJAE	
CC1(C)CCCC[C@@]1(O)C1=CCCCCCC1	300138842	WRNNIGZWBBNNCV-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCCC(C)(C)C)CC1	300856363	LPHSPPHPAIDXIP-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CCC1CCCCC1	300917897	KUXVGNQXQMJOJN-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@H](C)CC(C)C	302314069	ITELNQATHTUGFV-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
C[C@H](CC[C@@H]1CCc2ccccc2N1)C(C)(C)C	302515242	ZTDZKDACIBQBMP-UKRRQHHQSA-N	245.410	4.876	0	10	BJAE	
C[C@@H](C[C@@H](O)CCC1CCCC1)CC(C)(C)C	305926115	IUJYIKLQWSGYHZ-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CCc1cc(SC)cc2scc(Cl)c12	306611729	MBKVPHPKEJGQJX-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CSc1c(Cl)ccc2sc(Cl)cc12	306848801	MHMRSKNHLCVGMR-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
Cc1csc2cc(C(F)F)cc(Cl)c12	307508068	UCGZHZXEGCLYOH-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1cc2ccccc2o1	308034727	RVSDJRLETWUYTP-LRDDRELGSA-N	246.350	4.539	0	10	BJAE	
CC(=O)CC(C)(C)CC1CCC(C)(C)CC1	309487563	YQDAMFVGKLLDCV-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
FC(F)c1cccc(NC2CCCC2)c1Cl	309527032	CKKXJSFTCBTGPW-UHFFFAOYSA-N	245.700	4.632	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](CCC(C)C)C2CC2)c1	310679900	RIBKEXLDQLEYKG-KRWDZBQOSA-N	245.410	4.930	0	10	BJAE	
CCC1(C[C@H]2C[C@@H](C)c3ccccc3N2)CCC1	310900060	AYXKENZYELOEIB-ZIAGYGMSSA-N	243.394	4.945	0	10	BJAE	
CCc1sc(C(C)(C)C)nc1C1CCCC1	313475170	YWRLLGWAQIDJNL-UHFFFAOYSA-N	237.412	4.661	0	10	BJAE	
CCNC[C@]1(CC=C(C)C)CCC[C@@H](CC)C1	317239448	JTVCSNRAFONZLN-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCNC[C@@]1(CCCC(C)C)CCC[C@@H](C)C1	317269390	NJYYFZBBHOQFNR-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC)([C@H]2C=CCCCCC2)C1	317552570	MFGWVGPKUVXZOA-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@@]1(CNC)CCC[C@@H](CC)C1	317635875	YZGSAYCFHPGBBL-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)C1(CNC2CC2)CCCCCC1	317814638	UDJONAIWKNIIPR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@@]1(CNC(C)C)CC[C@H](C)C1	317904123	JQZISYBLIKUKKT-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)C(C)(C)[C@@H]1CC[C@H](C)CC1=O	319622811	MWZVQLJNDLRMBB-XDQVBPFNSA-N	238.415	4.700	0	10	BJAE	
CC(C)NCC1([C@H](C)C(C)C)CCCCCC1	319815519	JFBJLNKAFPVQMF-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]([C@H](C)[C@H](C)CC)C1	319933156	NWWHZRFGVSMWIB-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCCC(O)(CCC)CC/C=C/c1ccccc1	324005044	JXMUEKGFVHYGGN-XYOKQWHBSA-N	246.394	4.811	0	10	BJAE	
CCCCC[C@H](O)CCCCCC(C)C	383135843	DNSWUQAJURLIRL-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
CCCNC[C@@H](C)CCCCCCC(C)C	383273906	ZLMVSNDXGITTEU-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCCNC[C@](C)(CC)CC1CCC(C)CC1	383913575	PQSJUNFJAGTZFZ-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CCC1(CN[C@H](C)C2CCCCCC2)CCC1	383973512	YXOSRFCFFIRALO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC1([C@H](CCC2CCCCC2)NC)CC1	393855930	TVYUCHDZTTZQEV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCNc1ccc(F)cc1F	394769071	SJRXKKUSGJSTJX-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
COc1cc2ccc(C(F)F)c(Cl)c2s1	396287778	FFCXBXLKAXJVQZ-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@@H]3C[C@H]3C2)C1	403586331	CYUDZTKWHVEYEA-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CC(C)(C)C1CC1	405826407	ZMUYYEPGYFHZLU-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CC(C)NCC1(CCCC2CC2)CCCCC1	405965285	RAAZUZSQNAVCAR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCCCC(=O)C[C@H](CC)CC(F)F	688826155	QCHLOIGVTHZMPC-NSHDSACASA-N	234.330	4.597	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)CC(C)(C)C1CC1	692144551	HGHATQLRVZJURL-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H]1CCCC(C)(C)C1	695056209	VUAJYMZFKQNPGV-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@@H](C)C(C)(C)C	696582994	UQJGPIPGWIUSIN-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C2(C(C)C)CC2)cc1	697598310	XKYDBSILFYOAQR-BBRMVZONSA-N	245.410	4.636	0	10	BJAE	
CCC1CCC([C@](C)(N)CCC(C)(C)C)CC1	704850377	BJWFCCXHGXGLGH-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1NCC[C@@H]1CC=CCC1	706867041	GRPJHCPYUPYYNC-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3CCC[C@H]32)CC1	707841951	HKNUULDJUAWPPS-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)CCC(C)(C)C1CC1	708318832	IYRFJHBKWOJGJM-TZMCWYRMSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C[C@H](C)CC(C)(C)C	709103613	PIWIPIVILJQNND-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)[C@]12CCCC[C@H]1C2	709135581	VLCHYPISQGHQEW-DVOMOZLQSA-N	247.357	4.515	0	10	BJAE	
C[C@H]1C[C@](N)(C[C@H](C)CC(C)(C)C)CC[C@H]1C	709142085	JBGQWVBOXDFXFT-HGTKMLMNSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(F)cc1OC[C@H](C)CC(C)(C)C	709263432	QQCIECZWWJHBDP-LLVKDONJSA-N	238.346	4.585	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1cscc1Cl	710427775	SYCIIZFCCNUJPB-JOYOIKCWSA-N	246.803	4.651	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(C[C@@H](C)C(C)(C)C)C1	710751040	POKJTEWTSHICEQ-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)c1ccc(C2CC2)s1	716615874	DVRPRPCAEXEDNM-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1cc(F)ccc1C	718525731	IZVSROCNXQSZRA-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C)CC1CCCCC1	718640676	AGFQDWUGTLEQCT-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CCc1cccc(C(F)F)c1	718721733	KPYRVQHTRWYMAT-UHFFFAOYSA-N	224.294	4.913	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1CCCC12CCC2	718952524	ULZWBGYBOBWREZ-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](C[C@H](O)CCCC1CC1)C1CCCCC1	720160954	KZBNUBMYQXFSMU-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C(C)(CC)CC	721735268	GELXLQYFTSLXJK-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC1(C)C)CC(C)(C)CC	723153578	NQTGTJFUFKTOSX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C(C)(C)Br)CC1	725261428	MKCOPWNPPAIUTL-UHFFFAOYSA-N	247.220	4.766	0	10	BJAE	
FC1(F)CCC(CSc2ccccc2)CC1	1307255342	HHKLLMLUHVMERA-UHFFFAOYSA-N	242.334	4.604	0	10	BJAE	
C/C(=C\Cl)CSC/C=C\c1ccccc1	1459050720	HCIZWJHQBZMNIH-ATRCHBHBSA-N	238.783	4.576	0	10	BJAE	
Cc1cc(N[C@@H](C)C2CCC2)c2ccccc2c1	1658139793	DEPQAEWPRVSNIW-ZDUSSCGKSA-N	239.362	4.749	0	10	BJAE	
CC[C@@H](N)CCCC=C(C)CCCC(C)C	1900850460	ZCRIMJZOUYYMJL-OAHLLOKOSA-N	225.420	4.667	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1CCC(C)(C)C1	1902293222	LKRCKIGIVOTOIY-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@H]1CCC(C)(C)C1	1902390675	MMQLMSQPLBEWAW-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)C(=O)C[C@@H]1CCC(C)=C(C)C1	1902841051	KZTSRLBWCZOHFW-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](N)CCC[C@@H]1CCC(C)(C)C1	1903422627	QZWADAMEXODBJD-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)CCCC(C)C	1905452030	BHLPHXYVZPOQNX-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)C1CCCCCCC1	1910809591	NZYQUYGWQYXNRH-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1CN[C@@H]1CCC2(CCCCC2)C1	1915901136	CLZBJECYOBIRBN-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NCC)[C@@H]1CCC2(CCCCC2)C1	1915908949	TZSZQUXFZFMUON-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCNC[C@]1(C[C@H]2CCC[C@@H](C)C2)C=CCCC1	1916561614	BEBFNZRKCFYIEO-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCCc1ccc([C@@](C)(O)CC(CC)CC)cc1	1920026321	HOKHHFHTTICHMP-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCCCCC[C@](C)(N)CC1CCC(F)CC1	1920196163	GVGBHNCFOJTGCT-NRXISQOPSA-N	243.410	4.593	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@H](C[C@@H]2C=CCCCC2)C1	1925888253	FUEJWKOYEWQSSA-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1csc(Cl)c1	1933587125	JBIIFMQJMMPBRK-CABZTGNLSA-N	246.803	4.507	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CCCC1(C)CC1	1935941671	WJGSFYDBEPMSAP-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCCc1[nH]c2c(C)cc(Cl)cc2c1CC	1936020249	LTAOPTTWXHGSSF-UHFFFAOYSA-N	235.758	4.645	0	10	BJAE	
CCCCCC[C@@H](N)CCCCCC1CC1	1936419260	MLEMSIQVHHEHMF-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C1CCCCC1	1940803723	XSTGUOUFNCEMJL-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCCC2(C)CC2)C1	1940883547	UXHRKFDWLHPZRX-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CCC[C@H]2CC2(C)C)C1	1940884494	YGYGONHIEMQSDJ-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@@H](CC(C)C)C(C)C	1941265623	XHHRXJGMSNCIQD-JKSUJKDBSA-N	239.447	4.639	0	10	BJAE	
CCC[C@@H](C(=O)CC1(C)CCCCC1)C(C)C	1941271923	GTFCQARXMFZPQP-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCCCCCC1CC1	1941580646	CBPMDBXGTFGMSK-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](NCC)c1cccc2sccc12	1945970127	LBWQPFXVQLOEGV-AWEZNQCLSA-N	247.407	4.742	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccccc1SC	1947466428	YHTBDQSRNQVDQP-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
CCc1cscc1[C@H](N)CCC1=CCCCC1	1948009115	PAQLDYCCRCHRKX-OAHLLOKOSA-N	249.423	4.591	0	10	BJAE	
CCCC[C@H](CCCCC1CCC1)NCCC	1948429407	LJWKXYFHPPZIIG-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@@H](CCC)CCCCCCC1CC1	1948846548	JCJSOQDOKAPHGC-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
Cc1ccc(-c2ccc(N)c(C)c2C)cc1Cl	1949221504	VPSMHKUQRFTBIP-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
Cc1cscc1C(=O)[C@@H]1CCC2(CCCC2)C1	1949499915	YRGGWVIUSRLXEV-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CCCC1(CNC2C[C@H]3CCCCC[C@@H]3C2)CC1	1965946093	ROGCWKRVEBGAPD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H]1CCCC2(CCC2)C1	1968860518	ZJSYJPFCJVJWRE-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CC3(C2)CC(C)(C)C3)C1	1970282339	TYDKKUDODXEBEN-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H](C)CC)NCCC	1984637997	CWMFSXKEIKTILF-VZLFFANISA-N	225.420	4.537	0	10	BJAE	
F[C@@H]1CC[C@@H](CCC2CC(=C3CCC3)C2)C1	1985534704	MHYUDLOMNWWDOO-IAQYHMDHSA-N	222.347	4.795	0	10	BJAE	
Cc1cc(O[C@@H](C)CC(C)C)c(C)cc1Cl	1989926494	NXNYSVVQRAZIMQ-LBPRGKRZSA-N	240.774	4.770	0	10	BJAE	
CC[C@@H](C)[C@H](C)Oc1cc(C)c(Cl)cc1C	1989927258	YIBBJFQPPVPLED-SKDRFNHKSA-N	240.774	4.770	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)c2ccsc2)C1	1994027040	WOSDFIFYSFWZRW-LLVKDONJSA-N	236.380	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@](C)(N)C1CCC(C)(C)CC1	1996587448	XUNGYVVMINKOAQ-HEHGZKQESA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2CCC2(C)C)CC1	1997101875	BXGJHTMIMXWSHB-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@]1(C)CC=CCC1	1997606252	HYGOPFIBQLWQBR-HOCLYGCPSA-N	236.399	4.908	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@@H]1[C@@H](C)[C@H]1C	1998557848	UYBIHCAEUYOYGF-ITGUQSILSA-N	249.423	4.501	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)C1CC(C)(C)C1	1998649376	LNBCTMSORQBGNN-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)(C1CCC1)[C@H]1CCCC(C)(C)C1	2000040236	CDVJPYHQHBFLSS-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)C2(C)CCCCCC2)C1	2000211954	QRTMPVLGMBCSMA-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@H](C)C1CCCCC1	2000483347	LUASZALVRMJMTK-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@@]1(C)CC=CCC1	2001696988	HJBXVFSDDHSDRB-HNNXBMFYSA-N	249.785	4.807	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1[C@H]2CCCCC[C@H]21	2002208156	CYULOFARUVRFLF-FICVDOATSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CC2(C)CCCC2)C1	2002978859	MCAIXQZBUNJDAO-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CCC2(CC2)C1)NCC	2003222131	UZWLFANVOJDDHJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC1CC(C)(C)C1	2004229122	FSOSMAUOPCGHQI-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCC[C@H]3CC[C@@H]32)c1	2004797669	PYHQIEMXPUHTFN-SGMGOOAPSA-N	249.785	4.639	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)C1CCCCCC1	2005587886	AESTVTAOFRBPIE-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CCCCC12CC2	2005609877	MHESMIIHMRXXSU-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C=C1CCCC1)c1cc(C)sc1C	2007933490	ATBGXWBGOHTHLQ-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@@H](C)CC(C)C	2007935635	WJBRKUONFUEDAV-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](NCC)C1(CCC)CCC1	2009616207	GTTGADXWQVVRHB-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C=CCC(C)(C)C1	2012065632	WRCYPQTXOXZLAS-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC[C@](CNCC(C)C)(CC(C)(C)C)C(C)C	2012411155	KNMDKHMEZYXEKA-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCCC(C)=C1C	2013270098	FNUVLQUNEIVOOA-HZPDHXFCSA-N	237.431	4.680	0	10	BJAE	
CC(C)C(CC[C@@H]1CCCC[C@H](N)C1)C(C)C	2015345789	WTWHSJQYYBSXRJ-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCC[C@@H](C)C2)CCC1	2015589637	XVNPKPBWNAMQNR-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CC1(CCC)CCC1	2015643508	CUPAYWCBFDNKCG-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1(CC2CC2)CC1	2015752810	JXBZKOXDDJKKBX-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C(C)(C)CC)C1(C(C)(C)C)CCC1	2017132801	JOCQNGYHOACANM-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CC1(C(C)C)CCC1	2017141354	OLKYUDBGFARRKL-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC([C@@](C)(O)C(C)=C(C)C)CC1	2017482056	ZZIZIMHMUGEQDY-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H](C)CC(C)C)CC1	2017661129	ADCGQLHRHIVXPS-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@H](C)[C@@H](CC)NC)CC1	2017730576	ISXCLUZDCLCPND-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](C[C@H]1CC[C@H](C)CC1)NC	2017731043	NCSDIWZMNGOCBX-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CC[C@H](N)[C@@H](C)CC)CC1	2017737138	ZWRTXFZMEMBUQB-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1CCC(C)CC1	2018131753	PUQBRERRUFUUKB-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC[C@@H]1C(C)C	2018133067	ZSWSHAFNHOUGEU-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@](N)(CC)CC[C@H]1C[C@@H]1C1CC1	2018133519	FMTBROBLZOGCGN-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@](C)(N)[C@@H]2CCC[C@@H](C)C2)CC1	2018922597	AKCVVXVIPKSYOQ-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
C[C@H](N(C)CCCC(C)(C)C)C1(C)CCCC1	2019325204	IUESIZNITREHNN-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCCN(CC1(CCC)CCC1)C1CCC1	2020636974	JTTMQKRCKJDYKR-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCCc1ccc(C(=O)CC=C(C)C)cc1	2023319334	NEPFHIJDOAPWOV-UHFFFAOYSA-N	230.351	4.568	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CCCCC(C)(F)F)C1	2023354122	WFPSOOIKNOHJIB-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCN[C@H](C)[C@@H](CC)C[C@@H]1CCCC(C)(C)C1	2024101472	KXDSYBDNQCGCNG-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@@H]1CCC[C@H](C)C1	2026148393	WVFQTDQVPRUEAJ-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)C1CC(C(C)C)C1	2026172891	YQPOOSMDMFRSBN-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)CC[C@H]1CC1(C)C	2027817675	FRUSUJINLINCJI-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1C[C@@H]2CCCC[C@@H]21	2028759450	IIASEJGWVQEHRR-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(CNC2CC2)(CC2CCCCC2)C1	2029108912	SRRCULYZGAOBLK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)c1coc2ccccc12	2029838734	UBCAOSSCEPVYPU-WBMJQRKESA-N	245.366	4.505	0	10	BJAE	
CC[C@@H](C)C[C@H](O)c1ccc(C2CCCC2)cc1	2031749806	MBSBXRXHTPCBIA-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CC[C@](N)(c1ccc(C2CCCC2)cc1)C(C)C	2031750214	PTNVYPMOCZUUCB-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCC1(CNC[C@@]23CCCC[C@H]2CCC3)CC1	2031804780	MTGQPMDCDZTNCN-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CC1(C[C@@H](N)c2ccccc2C2CC2)CCCC1	2037104407	LYQBHIZYUIJMTM-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
C1CC2CCCC(C1)N2[C@H]1CCC2(CCCC2)C1	2037676854	YVJRZBBQLYDERG-GPANFISMSA-N	247.426	4.506	0	10	BJAE	
O=C(C[C@@H]1CCC2(CCCC2)C1)c1ccccc1	2037678557	LLGGWDCWCKRXNR-AWEZNQCLSA-N	242.362	4.620	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)C2(C)CCCCC2)o1	2039861616	HCLTXTAFZYIHTE-UONOGXRCSA-N	249.398	4.598	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)C1CCC(C)CC1	2040632258	CMSDVEIBMRWIPF-HRDQMINSSA-N	249.373	4.761	0	10	BJAE	
C[C@@H](N[C@H]1CCCC12CC2)C1CCC(C)(C)CC1	2040639856	YMCZSFUFZYTNKZ-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
N[C@]1(C[C@@H]2C=CCC2)CCCC2(CCCCC2)C1	2040766413	DCKQKCSIGSRQOW-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CCC1)[C@@H]1CC=CCC1	2042027586	OOXHUKKRZBLKCE-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1C(=O)[C@]1(C)CC=CCC1	2042091272	JYDRDDXOPHKPTP-QGZVFWFLSA-N	242.362	4.568	0	10	BJAE	
CCCC1([C@@H](NCC)C2CC3(CCC3)C2)CCC1	2045798433	AZQWHNOGYAQMBP-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H](CC2(CF)CCC2)c2ccccc2N1	2046908081	IYRIASQYWBTFQS-CHWSQXEVSA-N	247.357	4.504	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@@H]1CC12CCCC2	2047003010	BGMFKPDFJHGRSO-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CCC23CCC3)C1	2047937153	VTDDJECCSPLDNL-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@H]1CC[C@H](C)CC1	2049683395	DWONBDDMKJFYNB-ZQIUZPCESA-N	246.394	4.670	0	10	BJAE	
CC1(CC(=O)[C@H]2CCC3(CCCC3)C2)CCCC1	2049803682	DGSAHUYGCPEEMN-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC2(CC2)C1)CC1(C)CCCC1	2049848252	IBIFZYRZENUUNQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC2(CC2)C1)C1(C)CCC1	2049853721	KPUJWFYKAUJUJI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049934341	WKZRMVGODVAZQJ-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](O)CC[C@H]2CCC[C@H](C)C2)cc1	2050441099	KDZQZDCGOIGZMN-ZMSDIMECSA-N	246.394	4.635	0	10	BJAE	
C1CCCC(CN[C@@H]2CCC[C@H]3CC[C@H]32)CCC1	2052307815	JPIBCSZLFAXGIU-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(CNC1CC1)C1CCCC1	2053388205	RZIHTDIQBJOSRH-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC(=O)Cc1ccccc1C(C)(C)C	2053968693	AKAVUNYYROVQFC-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CC1(C(=O)C2C(C)(C)C2(C)C)CCC2(CC2)CC1	2056536451	CXCJPQLUQHQVBH-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC1(CC)CC(N)(CC2[C@@H]3CCCCC[C@@H]23)C1	2058834994	JJJCIMBUXJDOMI-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@]1(C[C@@H]2[C@H]3CCCCC[C@H]32)CCCN1	2059467000	NDUOUPBSPPOGOI-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(Cl)c(SC)cc1C(F)F	2060055655	ZTSVXWHQQHQLKB-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CC[C@H]1CC=C([C@]2(O)CCCCC23CCC3)CC1	2061084853	MZTZTOJSHXGIBS-WMLDXEAASA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C1=CCC(C)(C)CC1)C1CCC(C)CC1	2061088510	NISKASWJKYYAFA-ZBCRRDGASA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)C1=CC[C@H](C(C)(C)C)CC1	2061111974	AWFVVXJZQBJQRC-JKIFEVAISA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(N)(C2=CC[C@@H](CC)CC2)CC1	2061112971	KOEICHFQCHGBMR-HPUBIQBYSA-N	249.442	4.811	0	10	BJAE	
c1cc(NCC[C@@]23CCC[C@@H]2C3)cc(C2CC2)c1	2061573246	WMJCDBOCMIWORX-NVXWUHKLSA-N	241.378	4.556	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC[C@@]12CCC[C@H]1C2	2061607394	QNHIPLGXSCXEKN-HLLBOEOZSA-N	248.410	4.886	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)CC1CC(=C2CC2)C1	2061664463	IWMHUDQQDROXTB-QGZVFWFLSA-N	249.442	4.523	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063536252	QADHFLSMZXXPQM-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc2c1ccn2CC12CCC(CC1)C2	2065276322	CHDBQVBWTFNOJS-UHFFFAOYSA-N	239.362	4.530	0	10	BJAE	
CCCC[C@H](NCC[C@@H]1C[C@@H]1C)c1ccccc1	2071479916	RZRYCLHMAUBOLT-UAGQMJEPSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1C(C)=CCC[C@H]1C	2072424261	JLSIXHGBERRONP-DJIMGWMZSA-N	249.442	4.703	0	10	BJAE	
CCC1CCC(C[C@]2(CN)CCCC23CC3)CC1	2072810789	YYCXLQRIKGOPEH-DQPZFDDXSA-N	249.442	4.502	0	10	BJAE	
CCCC1(C[C@@H](O)c2cc(C)c(C)cc2C)CC1	2074619988	XSVRLACGAYITAM-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)[C@H]1CC12CCC2	2074647553	YWWWOXKZJSAVFZ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN([C@H](C)C1CCC1)[C@@H]1CCC12CCCCC2	2075009711	APYUDHXOQIBGOX-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CC(C)CCCCCN1CC=CCC12CCCC2	2075153250	CYVOTZCNOLTUEI-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CC[C@H]2C2CCC2)c1	2077261721	CTOXXMQQPPHJNN-DOTOQJQBSA-N	241.378	4.555	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](NCC)C1=CC[C@H](CC)CC1	2079444170	SUXNAELUZAKYLI-ORQFMDKSSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@H]1C1CCCCCC1)C1CC1	2079852640	RRXHTKOBTDAXML-RCBQFDQVSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)ccc1NC[C@@H]1CCC[C@H](C)C1	2081946421	HFDHLKORNXSVNT-QWHCGFSZSA-N	249.373	4.626	0	10	BJAE	
CCCC[C@@](N)(CC)c1cccc(C(C)(C)C)c1	2083555967	VVFQQSMCCCBZRA-KRWDZBQOSA-N	247.426	4.738	0	10	BJAE	
CC[C@H](N[C@H]1C[C@H]2CCC[C@H]1C2)C1CCCCC1	2086156848	KHZYBOGPTRSVDO-HJWJTTGWSA-N	249.442	4.514	0	10	BJAE	
CCC(=O)[C@@H](C)CCCCCCCC1CC1	2212461980	LASCVBVPLQHPNF-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@H](C)NCCCCCCC1CC1	2213572656	YTMIGSMYWKBMNG-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CCCCC2CC2)C1	2214558223	OEXNJLLPPNTDKA-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC[C@](C)(CCCCC1CC1)CNC(C)C	2214569412	NHXROVSRXXFNEW-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)CC1CCC1	2214585789	UGWVFVBWZKWNET-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC[C@@H]1C[C@H]1CC	2215333620	BYWDBDPLLJIKOC-ARFHVFGLSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H](NC[C@@H]1CC=C(C)CC1)c1ccsc1	2215838986	JEWCKXWWJBDBQS-UKRRQHHQSA-N	249.423	4.535	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccc2c(c1)SCC2	2216741198	SPPFMGKOQMUXMK-LBPRGKRZSA-N	249.423	4.571	0	10	BJAE	
C[C@@H]1C(C(=O)CCCCCCCC2CC2)[C@H]1C	2216879333	IEJSLNQCPJPGFS-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC)CCCCC12CCC2	2217131634	YHGQGAXPZFNYEI-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
N[C@H](CC[C@H]1CCCC2(CC2)C1)C1CCCCC1	2220289683	BLEYJRMJRLMBJK-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)c1ccccc1C(C)C	2220962175	PFEPGTDGPYMEFX-KBPBESRZSA-N	244.378	4.819	0	10	BJAE	
CCN(CC1(C)CC(C)(C)C1)c1cccc(C)c1	2221089481	BOVQINVUZXOCHR-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CC1=CC[C@](C)(NCCC2CCCCCC2)CC1	2221602777	SPRUDHGGJLZFTQ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1=CC[C@H](CN[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1	2221665884	GNJTYKVJDFKHHA-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@H](CN[C@H]2CCCC[C@H]2C(C)C)CC1	2221669477	XOINUTJRUDSZIP-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
NCC1(CC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1	2222922344	UTHCORBJNHLWOW-HRCADAONSA-N	249.442	4.502	0	10	BJAE	
C(CCCC1CC1)CCCN1CCC2(CC1)CC2	2223107584	YZQGGTQUUCFQEZ-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CCCCCC2)C=CCC1	2223594686	MNZGBCMPIAIHLS-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCCCCSCCCCCCCCO	2246082510	HSDQLWXGRZIGBC-UHFFFAOYSA-N	246.460	4.633	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)CCC2(C)CC2)C1	2246656130	JJRXSNZWNLNJDQ-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1(CN)CCCCCC1	2247159717	OVXYTNHRRMTBEY-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CC(C)CC1(C(=O)CCCC[C@@H]2C[C@H]2C)CC1	2247160786	WZJJGAVYPGUGKQ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C[C@H]1CCCC12CC2	2247649551	BWOQBZASFFPGRB-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
Cc1cc([C@H](N)[C@@H](C)C(C)C)cc2ccsc12	2248565146	NQLXPXSLINQZDK-SMDDNHRTSA-N	247.407	4.502	0	10	BJAE	
C[C@H](C(=O)CCCCC[C@@H]1C[C@H]1C)C1CCC1	2248867854	YAMVMXLQHHKDHL-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CNc1cc(F)c(C)c(F)c1	2250389953	NVAVKQQPVXLFKB-NSHDSACASA-N	241.325	4.511	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)CCC(C)C	2250470222	XMACVJNGGZPTLR-HZPDHXFCSA-N	241.463	4.993	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1ccc2ccsc2c1	2253058038	BGAGXDNQLRZKLJ-ZFWWWQNUSA-N	248.391	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CC[C@@H]2C2CCC2)C1	2253998276	UJWAMZXUQIFING-MUIFIZLQSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC1CCC1)CC1CC2(CCCC2)C1	2254104350	DETMJPAWZWJQNW-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc2c1ccn2CCCC[C@@H]1C[C@H]1C	2254522661	PPBHTNMXHGCRQR-HUUCEWRRSA-N	241.378	4.776	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C1(CC2CCC2)CC1	2254581242	FZDZWTRLFXHPKM-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CCCC1([C@@H](C[C@H]2CCC23CCC3)NC)CCC1	2254836606	XHBZMYJHQQPOHL-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CNC[C@]1(CC2=CCCCC2)CCCCC1(C)C	2255093837	IRVUHFOFYLOKKM-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H](C)C1CCCC1	2255133874	QKFRZLCQOZJZJS-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc([C@@H](O)CCCCC2CC2)cc1	2256311419	PWYRCNFGXSVMFH-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
C[C@H](Nc1ccc(C2CC2)cc1)[C@H]1CC12CCC2	2256446854	YLQHXAZUMQXUHI-BLLLJJGKSA-N	241.378	4.555	0	10	BJAE	
C[C@@H](NCC1CCCCCCC1)[C@@H]1CC12CCC2	2256447314	ZUISPHVTDVRJLR-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(NC[C@]2(C)CC=CCC2)cc(C)c1C	2258234578	VPFFCZOGKOUZHQ-QGZVFWFLSA-N	243.394	4.770	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1cc(C)c(C)c(C)c1	2258243337	XJEVLYILRFAMOJ-WBVHZDCISA-N	245.410	4.993	0	10	BJAE	
CCC[C@@H](CC)CNCc1ccc(C(C)C)cc1	2259479425	YRUUFPXECJCCQK-OAHLLOKOSA-N	247.426	4.726	0	10	BJAE	
c1ccc2cc(N[C@@]34CCC[C@H]3CC4)ccc2c1	2260529638	CEYBERWKOTUIBE-DOTOQJQBSA-N	237.346	4.584	0	10	BJAE	
CCCCCC1CC(N)(C[C@]23CCC[C@@H]2CC3)C1	2260667343	CPDOJKWZHBIKOL-JCCCHCCOSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc(-c2cc(N)ccc2CC)s1	2300640957	RKUMFDAKFWOAHA-UHFFFAOYSA-N	245.391	4.512	0	10	BJAE	
CCC/C=C/CNc1cc(C2CC2)ccc1Cl	2300674668	XHTLPFXNTRTWPR-SNAWJCMRSA-N	249.785	4.986	0	10	BJAE	
CCC(CC)CC[C@H]1CCC(C)(C)[C@@H](NC)C1	2300689366	XIWDBMCQJVGPAR-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CCC=C(C)CCCC(C)C	2300919330	VDZJMFLGJQLMMI-CVEARBPZSA-N	239.447	4.913	0	10	BJAE	
CC(=CCCC1(O)CC(C)C1)CCCC(C)C	2300936434	FHKKFKOYDOEICZ-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC(C)(CC(=O)CC1CCCCCC1)C1CC1	2301240425	ZGBLUUIXCXIZEI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](CC2CCCCCC2)C1	2301241875	MVDDRQHUBOPGMV-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)[C@H](N)C1CCCCCCC1	2301824213	AZBBQVITIKSOMW-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CC[C@H]1C(C)(C)C	2303420367	URDUZXQKCIMTNE-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303471426	LWUFADKSDLSMQG-BYNSBNAKSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@H]1CC[C@@H]1C(C)(C)C	2303510012	FFISZMKJQLCZDM-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@](O)(CC1CC1)C1CC1	2303742414	SOIRUMPEIUFPFG-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC12CC(CCC(=O)C(C)(C)C)(C1)C2	2304381578	OOIQVNJAZHBXLZ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCCCN(C)CC[C@H]1CCC(C)(C)C1	2304394385	QHRCNSISZUSDCQ-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
C/C=C/CCCc1cccc(CC(F)(F)F)c1	2307677533	MMXYWVXKJZFQNC-NSCUHMNNSA-N	242.284	4.690	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccc(F)cc1C	2307925320	SHTSAOJGESIKLF-GFCCVEGCSA-N	236.330	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1C[C@@H](C)C[C@H](C)C1	2307926712	QDVJNFCXCRSGSR-RZLSGREXSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2CC[C@@H]3CC[C@@H]32)CC1	2308171615	MLZFENNVXRKAFN-ALYAQQCSSA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	2308401671	YTXYRYOCMIMIKK-YQQAZPJKSA-N	243.394	4.766	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NC(CC1CC1)CC1CC1	2313594044	OIGJETHFPXYKRV-GUYCJALGSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC[C@@]1(O)C[C@@H](C)c2ccccc21	2316241021	ZTSSYAMGXHCFOF-CXAGYDPISA-N	246.394	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1CC2(CCCC2)C1	2316505361	ZPTAAQODAGIRKQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(=CC=C1CN[C@@H]1C(C)(C)C)CCCC(C)C	2316537883	TWVWBFXWWZZGGB-INIZCTEOSA-N	249.442	4.703	0	10	BJAE	
CC(C)c1ccc(F)cc1NCCCCC1CC1	2317920605	QLDBHXVDVDMVAJ-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@@H]1CC12CCCCC2	2318943575	HPSDPCLXIUTMFU-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2CCC3(CCCC3)C2)N[C@@H]1C	2319034878	QPWSPTVBIIVFBD-KLHDSHLOSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)CC23CCC(CC2)C3)C1	2319325774	JHEYTVKRKKQBJG-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(N(C)C[C@H]2CC[C@H]2C(C)(C)C)c1	2320310535	IWWBYPRGXOQTCA-GDBMZVCRSA-N	245.410	4.504	0	10	BJAE	
CC1=C(C)C[C@H](CN2CCCCCCCC2)CC1	2320390529	KXFDYNVVENGZTJ-QGZVFWFLSA-N	249.442	4.779	0	10	BJAE	
CC1=C(C)C[C@@](N)(C[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2320393739	ITZHOLBVKYTMDV-OSRSDYAFSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CN2C3CCCC2CCC3)CC1	2320395026	UKBMMFSVZKIHSP-KLAILNCOSA-N	247.426	4.530	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H](C)C2CC(C)(C)C2)CC1	2320415908	FPNYUTSHDAIPCB-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCC(C)(C)C1)C1CC=CC1	2321633391	YDUYQVSEDBDJKS-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)CCc1ccc(C)cc1	2328267497	BJCOAIFLXITRAF-NVXWUHKLSA-N	248.410	4.505	0	10	BJAE	
c1nc(-c2ccc(C3CCCCC3)cc2)cs1	1520043	QWCWMJMFVQEDHU-UHFFFAOYSA-N	243.375	4.858	0	10	BJAE	
Cc1ccc(N[C@H](C)CCC(C)C)cc1C	21009214	PGFWMCSZDMQADF-CQSZACIVSA-N	219.372	4.540	0	10	BJAE	
CCCCC(CCC)(CCCC)NCC	32192709	VJYWGXSSHKPYTJ-UHFFFAOYSA-N	213.409	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H](c1ccccc1)C1CC1	37075165	ZOCKNAGPHHMUFK-PBHICJAKSA-N	245.410	4.552	0	10	BJAE	
CCCCC[C@@H](NCC(C)C)c1ccccc1	37186756	CMVLKPIZTANCDR-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
CCCCCCn1c(C)cc2ccccc21	59867323	GGEHGAVYTBTWLB-UHFFFAOYSA-N	215.340	4.530	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@H]2CCC[C@@H](C)C2)cc1	70941210	IWSOOAZQXIADEN-XOKHGSTOSA-N	246.394	4.670	0	10	BJAE	
CCc1cccc(N[C@H]2CCC[C@H](C3CC3)C2)c1	81624293	IIFUNTGRHNGMPE-RDJZCZTQSA-N	243.394	4.630	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CCC(C)(C)C)CC1	86941277	ZLIVONMQBYIJOL-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(c2cccc(C)c2)CC1	86951362	JMWSXDRLAPLPGS-DOTOQJQBSA-N	246.394	4.563	0	10	BJAE	
CCCNC[C@H](CCC(C)(C)C)c1ccccc1	88097904	JWLBUQBPZMJPKO-INIZCTEOSA-N	247.426	4.596	0	10	BJAE	
CC(C)CC[C@H](C)Nc1snc2ccccc12	90869197	YGWZTKWSQZDBGO-NSHDSACASA-N	248.395	4.533	0	10	BJAE	
CCCCC[C@@H](C)NCc1ccccc1C1CC1	94518359	TYXLJQOMOTWVMQ-CQSZACIVSA-N	245.410	4.622	0	10	BJAE	
CC/C=C\C[C@@H](C)c1ccc(C)cc1F	107509332	MZFDKAANCPRRGX-FOQNGQEVSA-N	206.304	4.594	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)C1CCC(C)CC1	109737564	UURQNMSPBWPPBI-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cccc(OCC(C)C)c1	109905484	QLQHRFCTSMHXIJ-UONOGXRCSA-N	249.398	4.568	0	10	BJAE	
CCCNc1ccnc2ccc([C@@H](C)CC)cc12	110103807	ZDPUBTJNAGCGQG-LBPRGKRZSA-N	242.366	4.570	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@@H](C)CC(C)(C)C	124278405	WMRXQCTWZWPJDP-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCC(C)(C)C1	129353298	YUJHMEWQWRTXFL-AWEZNQCLSA-N	231.383	4.630	0	10	BJAE	
CC[C@H](C)c1cc(O)cc(C2CCCC2)c1	142787620	CEAYTTSJSIVMAG-NSHDSACASA-N	218.340	4.563	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC(C)(C)C[C@H]2C)c1	155797291	CGJUZEOJYKKTKJ-UKRRQHHQSA-N	231.383	4.622	0	10	BJAE	
CCc1ccc(CC)c([C@H](C[C@H](C)CC)NC)c1	167333969	MMNFZQKMOHGVLK-DYVFJYSZSA-N	247.426	4.508	0	10	BJAE	
CCCN[C@H](C1CCC(C)CC1)[C@H](C)CCC	167922331	UDHIQZKNTCWHAD-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(C(=O)[C@H]2CCCC2(C)C)cc1	226524868	PLRCXTNBBVKAFQ-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1(C)CCCCC1	232975778	CJSCNOYHZBEWCT-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H](C)c1ccccc1	233153928	DWLUOUXZZAWPCZ-YOEHRIQHSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C1C[C@@H](C)C[C@H](C)C1	253040195	KELKPEJZDZNCGS-YXWQFLTLSA-N	239.447	4.602	0	10	BJAE	
Nc1ccc2c(Cl)cccc2c1C1CCCC1	258328192	UTZQBZXYQDYRFP-UHFFFAOYSA-N	245.753	4.733	0	10	BJAE	
CC(C)CCCCCCNCCC1CCCC1	305896714	MBKKJCLNQGMHIZ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C[C@@H]1CCC[C@@H](n2ccc3c(F)cccc32)C1	309994205	KODKMQLKJNEFER-VXGBXAGGSA-N	231.314	4.532	0	10	BJAE	
Cc1cc(NC[C@@H](C)C2CCCCC2)ccc1F	310761442	ABGALGGWEVKAJC-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)CCC)CC=CCC1	316831153	LOTNJEYGSOBFMU-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CC[C@H](CC)CC1	328441995	HBHXSOUSIMKTEL-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(O)CCC(C)(C)C)C1	379731506	UFDVVNIHUGUPIX-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC(CC2(CN)CCCCC2)CC1	379821752	SVIVLVRDLGUWCH-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CCC[C@H](C)C2)c1C	380944506	NJMZMRNJEKHVJC-SWLSCSKDSA-N	244.378	4.703	0	10	BJAE	
CCc1ccc(NCCC2=CCCCC2)cc1	385035107	LXUWWHCVGMRCGT-UHFFFAOYSA-N	229.367	4.551	0	10	BJAE	
C[C@@H]1CCC[C@H]1c1nc(-c2ccccc2)cs1	385093883	YLJJJGSRSNBRFD-DGCLKSJQSA-N	243.375	4.714	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCC1=CCCCC1	385707766	LUVTVBQUSBRBAR-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cscc1C	387075470	ZRNXFOYQXGXVIZ-JQWIXIFHSA-N	225.401	4.683	0	10	BJAE	
C[C@H](CCCCNC(C)(C)C)C1CCCCC1	393847253	RFJFWDSAKILSBK-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H]([C@H]1CCCC[C@H]1C)[C@H](C)CCC	394983275	HBDAZWWTVXTXBL-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCOc1cc2cc(Cl)cc(CC)c2s1	396185252	DGXIKRMZVRNZRL-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CSc1cc2cc(C(F)F)sc2cc1C	396409588	QMRQXYHZESGKHH-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC(C)Cc1cccc([C@H](N)[C@@H](C)C(C)(C)C)c1	399036136	AJGIYGVPEDJHKW-CZUORRHYSA-N	247.426	4.567	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1ccccc1C	401784246	CNLZDVDLEXVVCB-GJZGRUSLSA-N	231.383	4.623	0	10	BJAE	
CCCC[C@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NC(C)C	402137984	JPOCLPWBONXLOS-MWDXBVQZSA-N	249.442	4.536	0	10	BJAE	
O[C@H](CCCC1CC1)c1cc2ccccc2s1	406011894	WKBUBQGMSCMBKE-CYBMUJFWSA-N	246.375	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2cccc(C3CC3)c2)C1	690161718	YUMROSDRIZEPJY-WFASDCNBSA-N	229.367	4.555	0	10	BJAE	
CCCCCC[C@@]1(O)CCCCC[C@H]1C(C)C	691127997	NPPYGDUGVUMKBO-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCC12CCCC2	693793048	VEHYCVWXWYIWIE-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCc1cccc(OC(C)(C)C)c1C(C)C	694948365	JNXDXFGQUGKMET-UHFFFAOYSA-N	220.356	4.550	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C[C@@H](C)CC	696643393	DPTFKXNTPKPHLJ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)Cc1cccc(C(=O)C2(C(C)C)CC2)c1	697585895	UDGVFQMVBXWKDG-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCC(C)(C)[C@@H]1CCCCC[C@H]1CNC(C)C	701150079	WUCKQHOGDQLHTM-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C(C)(CC)CC)C1(C(C)C)CC1	701229302	GIRAXMMXPXRNCX-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCCc1cc(C)ccc1C	704571465	BJZCDBLREQVCKT-UHFFFAOYSA-N	202.341	4.592	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC(CC)(C2CC2)C2CC2)C1	704661250	VMTCREWVWUETAK-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CCC(C)(C)CC	704827539	IJSGVIVMUNQQBG-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(N)(C2CCC2)C2CCC2)C1	705333039	DRUCPPHHPSPUPY-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(O)CCC12CCCC2	709178953	RWRVFOFZHNRXGA-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc2cc(C(=O)[C@@H](C)CC(C)C)oc12	709234795	LCPQJUUOWSOIGU-LBPRGKRZSA-N	244.334	4.606	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CCC[C@H]2CCCC[C@H]21	714280671	UUHIFHMQOPWXTF-BZUAXINKSA-N	231.383	4.636	0	10	BJAE	
C(CN[C@@H]1CCC[C@@H]2CCCC[C@@H]21)CC1CCC1	714312240	WLBVVPADCGBARW-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)CC[C@@H]1C[C@@H]1C1CC1	714784232	VODDDAIENXPQLP-SKRDGDKOSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@H]1CCC[C@@H]1CCC(C)=C(C)C	718492329	HNVMPRXPZSDUKY-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H](C)C(C)(C)C	718527437	MOICVBYXDBBVTF-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC12CC2)C1CCCCCC1	722634173	VJGZTPURUFNFSX-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Fc1cccc2ccc3c(c12)-c1ccccc1C3	888085192	JVDHHFIMTQMLDN-UHFFFAOYSA-N	234.273	4.550	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CCCCC2)[C@H]1C[C@H]1C	1875419138	KZNNAPHJSXPFTI-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC(=CC1CCC(C)(C)CC1)CNC(C)(C)C	1883833554	IMABCPSMSUUCSE-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@H](CC)CCCC	1900883672	RSECMPNYZKKRKI-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CC(C)Sc1ccccc1NCC1[C@@H](C)[C@@H]1C	1908020187	UYBIHCAEUYOYGF-RYUDHWBXSA-N	249.423	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]2CC(C)(C)[C@H]2CC1	1911531626	SITKOPDZOGHVLY-CRWXNKLISA-N	208.389	4.885	0	10	BJAE	
CCCc1cccc([C@@](O)(CC)C[C@@H](C)CC)c1	1919971003	WHRXDYKCDULSQS-WMLDXEAASA-N	248.410	4.673	0	10	BJAE	
CCCCCC[C@H](N)[C@@H](C)C1CCCCC1	1924117703	AMCUNTVYVTZHCK-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC1(C[C@H]2[C@H](CN)CCCC23CCC3)CCC1	1924839030	QNVFKZBNJRYSGR-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@@H]1C=CCCCC1	1925928478	UUCZKOSOFJDLSY-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1ccc(Cl)s1	1928722957	BWYKXGZWGINTOU-BXKDBHETSA-N	246.803	4.507	0	10	BJAE	
CCC(C)(CC)C(=O)c1sccc1C1CC1	1938183291	FLWIZBHAZGBPSL-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
C[C@H](C[C@H]1CCCCN1)CC1(C)CCCCC1	1940406599	MTFATSJGXMWYHL-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@](O)(CC2(C)CCCCC2)C[C@H]1C	1940406748	GWMOMQFRFCXGIH-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)C1([C@H](O)CC2(C)CCCCC2)CCC1	1940408477	UJZOWJNDEGDZCN-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCCC2(C)CC2)CC1	1940870223	RRMFDYGLQPVKDP-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)C1CCCCCC1	1941266146	ADYZWFAHEIFGOL-HZPDHXFCSA-N	239.447	4.602	0	10	BJAE	
CCC1([C@@H](N)CCCCCC2CC2)CCCC1	1941585848	HZZNRNCHGLFCIL-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(N)CCCC1CC1	1941587322	RFGMJGVSXXKANS-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCC=CCC2)C(=O)C1	1941792720	ICIVEUPHOBZVJR-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943043269	NKUYRPPNJPEDDQ-XNISGKROSA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc(SC)cc1	1947465577	VSUNVQMDVAECQR-IUODEOHRSA-N	249.423	4.789	0	10	BJAE	
CCC1(CC)[C@H](O)[C@@H]2CCCCCCCC[C@H]21	1947879059	ASUPDCDEJSHZOU-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CCC(F)(F)CC)CNC(C)(C)C	1947888272	HTXSHAGGQJXGHY-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
Cc1cc(NC(C2CC2)C2CC2)c(C)cc1Cl	1948810399	XNFQCKUGGRRBMN-UHFFFAOYSA-N	249.785	4.557	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](O)C2CCCCCCC2)C1	1949450437	DUZUNONCKZBNKC-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC2(CC1)CC(Nc1ccsc1)C2	1950544611	XLNSSZFDIFJIEB-UHFFFAOYSA-N	249.423	4.909	0	10	BJAE	
CCN[C@H]([C@H](C)CCC(C)C)C1(CC)CCC1	1951243812	LXTJNPRAFARJQU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(C[C@]2(N)CC2(C)C)CC1	1951610721	YIPWXGZTJCKNAL-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H](C)C(C)(C)C	1962718630	UHJQJPBNWYILGD-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](NCC(C)(C)C2=CCCC2)C1	1962927693	HGGODBKPODBXGN-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCCC(C)(C)C2)C1	1963183313	UTVZTSOYQZXAFB-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CC(C)(CCNC[C@H]1CCC=CCCC1)C1CC1	1967813443	BIMPJNHNMIQVEC-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC([C@@H](C)N[C@@H](C)C(C)C)CC1	1968368501	LJVVKFVWMKFMNZ-QRNKSROTSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)C(CC)(CC)CC	1978562930	JWONZYPFKIRBSJ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)[C@]1(C)C=CCC1	1980477976	ROYVNQZOXCSILK-OAHLLOKOSA-N	222.372	4.518	0	10	BJAE	
CC(C)CCCC[C@@H](O)c1cccc(Cl)c1	1980680642	IVKZKJZVGUYNIY-CQSZACIVSA-N	240.774	4.590	0	10	BJAE	
CC(C)CCCC[C@@H](N)c1ccc(Cl)cc1	1980688920	DACPXFJEQDPSMD-CQSZACIVSA-N	239.790	4.556	0	10	BJAE	
COC[C@H]1CC[C@H](CCCC(C)=C(C)C)C1	1985384036	HNISVRAZMHAHSB-GJZGRUSLSA-N	224.388	4.576	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cc(F)ccc1Cl	1989823155	CATYKNLOAMJCGQ-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
CCCCC[C@@H](CC)NCCC(CC)CC	1990092007	TYACTLCPFRXGRU-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](N)CCC[C@@H]1CCCC(C)(C)C1	1994025558	IHAMSIXYFPPCRT-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@@H]1CCC[C@@H](C)CC1	1997213292	DKFZGFHWEJCYKA-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)(CC)[C@H](O)[C@@H]1CCCC(C)(C)C1	2000041269	KLEPGAXRTXFSCJ-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@]2(C)CC=CCC2)c1	2001699775	QMLODJHQHVEXQE-OAHLLOKOSA-N	249.785	4.807	0	10	BJAE	
CCC(=C[C@@H]1CCCC(C)(C)C1)CNC(C)C	2002993775	NPSZNFKUWRSMHW-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCCC2(CC2)C1)C(C)(C)C	2003219637	ALAIVGBPJJMZQX-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(O)([C@@H]2CCC(C)(C)C2)CC1	2004350885	DSTPPODAYPBKPC-IUDNXUCKSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)CNC[C@@H]1CCCC[C@H]1C	2004710792	CQUARAOWENQWMV-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CN)CCCCC12CC2	2005601566	NMUBJHNEKFJXEU-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCC1CC(C[C@@]2(N)CCCC(C)(C)CC2)C1	2007747034	PEZLZQLLEBBWBB-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
Cc1cc(NC2CC(C3CC3)C2)cc(C)c1Cl	2007781527	HDCOSOXQMWMKCJ-UHFFFAOYSA-N	249.785	4.557	0	10	BJAE	
CCCC[C@](CC)(CNCC(C)C)C[C@@H](C)F	2007843007	LEHGNIQKAVYTPP-CABCVRRESA-N	245.426	4.567	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCC[C@@H](CC)CC1	2009568280	AWVYVUWZRJRGQD-HUUCEWRRSA-N	236.399	4.908	0	10	BJAE	
CCC(CC)(CC)CN(C)CCC[C@H]1C[C@@H]1C	2011578331	XPGWSEGQCOSVHI-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCNC[C@@](CC)(C(C)C)[C@H](C)CCC(C)C	2012410769	JMXKKKIDUNFBFV-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)[C@@H]1CCC(C)(C)C1	2013311840	MSZWQZGYBWGQBN-LSDHHAIUSA-N	239.447	4.712	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C)C1(C)CCCC1	2014340055	OWAYNVMPGLOXHQ-GJZGRUSLSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C[C@@H](C)C(C)C	2015291105	PNJGTVVSFFASMF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC(=O)[C@@H]1CCC[C@H](C)C1)C(C)C	2015380043	RENNLDCRNDDRPI-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[C@H](C)C(C)C	2015400785	QSOBTTANDKBCPO-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CC(C)=C(C)CC1(CNC(C)(C)C)CC(C)C1	2017470689	PHAXWINFFNIJDJ-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)C[C@H]1CC[C@H](C)CC1	2017716392	RRHYWUWRZZFWAA-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C[C@H]1CC[C@H](C)CC1	2017720269	FTCTYGUIQYHSIB-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@H]1CC[C@H](C)CC1	2017728600	NIOATUAJZZKPEF-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCCCCN(CCC(C)C)CCC(C)C	2019286980	HZWXMFJJBGTOCB-UHFFFAOYSA-N	241.463	4.961	0	10	BJAE	
CC(C)CCCCCN(C)[C@H]1CCCC[C@@H]1C	2019341397	ZYWGHZBHKIRLDW-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@H](C)C1CCC1	2019765956	GLMYQJNFGQPCBL-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCc1ccccc1NCc1cc(C)c(C)s1	2019921545	OVACOGKKSSOKPO-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCCN(C1CCCC1)[C@@H]1CCCC[C@H]1C	2020535658	KLOHELZOLXKSJT-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1C[C@](C)(F)C1)CC(C)(C)C	2021406566	WLEYRKNPVBXOSL-HUBLWGQQSA-N	242.378	4.546	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@@H]1CCC)C[C@H](C)CC	2022483125	IIQIVRZCEGGDMJ-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CCCC(C)(C)C	2023339402	MHMCGRXOACRURB-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@H]1CCCC(C)(C)C1	2024101584	LXRZVXXXRQWKLQ-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H]3CCC[C@H]2C3)cc1Cl	2026242329	NRZBBOGTKUXTLP-SLEUVZQESA-N	249.785	4.639	0	10	BJAE	
CCCCC[C@@H](CC)O[C@](C)(O)CCCCC	2026323575	IVWITBAWLDSPLR-CABCVRRESA-N	244.419	4.651	0	10	BJAE	
CC(C)(CNc1ccc2ccccc2c1)C1CC1	2027704049	JMDFLERUVZWUKD-UHFFFAOYSA-N	239.362	4.688	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)c1ccccc1C1CC1	2028561002	WHINOBUGUKVVHH-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
O=C(CC1CCCCC1)c1ccccc1C1CC1	2028573890	IRJORWJAGBACPE-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCCCC[C@@H](C=Cc1ccccc1)NCCC	2028583041	GLFNRZMQEASVMH-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
CCCCCC[C@H](NC)c1ccc(C2CC2)cc1	2028591678	VLTGPAZMSLXZOZ-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CCCC(CCC)[C@H](O)c1ccc(C2CC2)cc1	2028592886	HZGVWLMVBIDECM-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CCc1ccccc1OC[C@@H]1C[C@@H](C)C[C@@H](C)C1	2031816118	DKUAIYIXHYIOKW-FICVDOATSA-N	246.394	4.700	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2C[C@@H]3C[C@@H]3C2)cc1	2035797573	AMCWOFJYOHULSS-QLPKVWCKSA-N	243.394	4.630	0	10	BJAE	
Cc1ccc(NC2CCCCCCCCC2)nc1	2035877755	BQLMMGPPNZGZAG-UHFFFAOYSA-N	246.398	4.695	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)CC1CCCCC1	2038164201	ISJZUUCJLKXOJI-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
C[C@@H](NC1C[C@@H]2CCC[C@H]2C1)C1CCCCCC1	2038623131	RFTRDFCVPNLEEM-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(NCCC23CCC(CC2)C3)CCC1	2039423040	YYQPKEVEJNYPCV-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC=CCCC1)C1CCCC1	2045323727	OQLCCQHGSNBBMA-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
OC1(C[C@@H]2CCC=CCCC2)CCC2(CC1)CC2	2045333189	WYAGDZVTPBXFSK-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@@H]1CC12CCCCC2	2047052173	KVTMRKHDXGNRLP-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
CC1CC(C[C@]2(N)CCCCC23CCCCC3)C1	2047563743	RSKWKRJXCNNDFT-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
C1=CC[C@@H](N[C@H]2CCCCC23CCCCC3)CC1	2047587780	VAMRQRADCJBSNJ-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC[C@@H]1CC[C@@H]1N[C@@H]1CCCCC12CCCCC2	2047588490	ZUCALENBHIPBEH-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@@H]1CCC12CCC2	2047930351	AEKFMSODEQGKBC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C=C1CC[C@@H]2CCCN[C@H]2C1)CC(C)(C)C	2048086838	PEOPJYLKTDYVDJ-KBMXLJTQSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC([C@@](C)(N)CC2CC=CC2)CC1	2049486656	JRBIDZLNGNHSIY-PREGVCBESA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C[C@H]2CCC3(CC3)C2)C1	2049936125	PXLNYOJMOZIJKA-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2CCC3(CC2)CC3)C1	2049948550	QSNQBDUETWTALY-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NC1C2CCCC1CCC2	2050041490	IWYACFRQQNQBEE-MOINJDMASA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CCC(N)(CC2CCC=CCC2)CC1	2051619295	ZWYQOHUOBQXPES-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC1(C(=O)Cc2ccccc2)CCCCCCC1	2052500334	HGTXLDHWJHVUQH-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CC[C@H](NC[C@@H]1CCCCC12CC2)C1CCCC1	2053435835	HHAAHIRNXDCOGO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C)(CNC[C@]2(C)CC=CCC2)CC1	2056537504	LPDRUKYMLNPKIR-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)c1ccc(NC2CC(C3CC3)C2)cc1	2056686697	BIVAFXIJUIHEBH-UHFFFAOYSA-N	243.394	4.585	0	10	BJAE	
CC(C)c1ccc([C@@](C)(O)C=C2CCCC2)cc1	2056856519	TWLQSPRRPMEYKF-KRWDZBQOSA-N	244.378	4.518	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2C=CCCCC2)CC1	2059002328	DKUAFVVERNQDKU-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CC=CCCC[C@@H](N)c1cccc2ccccc12	2059206345	LBDDNQZGFPNXBW-QGZVFWFLSA-N	239.362	4.586	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)[C@]2(C)CC2(C)C)CC1	2061100386	WIYLKWSSKSVWGZ-KEYYUXOJSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)C(C)(C)C2CCC2)CC1	2061147715	PTLOWYJIOXNKIM-XJKSGUPXSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C1=CCC(C)(C)CC1	2061148797	XUDWPCLZVUOVLJ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NC1CC(=C2CCC2)C1	2061253118	USQGYRRQTBFWEI-GUYCJALGSA-N	247.426	4.578	0	10	BJAE	
CCCNC[C@H](C)[C@H](C)CC1CC(=C2CCC2)C1	2061667504	IMIDHOVECOQYRA-KGLIPLIRSA-N	249.442	4.539	0	10	BJAE	
C[C@H](C[C@@H](N)CC1CC(=C2CC2)C1)CC(C)(C)C	2061729925	BWLJZGKQTKYYAJ-MLGOLLRUSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2CC(=C3CCC3)C2)C1	2061731514	UNPJWTNBYYONPN-JSGCOSHPSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H]1C[C@@H](CC2CC=CC2)CC(C)(C)C1	2063628942	VJHQSYGSDRBNPQ-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H](N)C[C@H](C[C@H]2CCC=CCCC2)C1	2063642663	QNHANGIQQVRIEY-HRCADAONSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC23CCC(CC2)CC3)C1	2065279131	GRHMMXNHTOUPHH-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@@H](C)C1(C)CCCC1	2067507270	AAOCJYFNLKBVIX-GJZGRUSLSA-N	245.410	4.614	0	10	BJAE	
CC[C@H]1CC=C(C2(N)CC(CC(C)(C)C)C2)CC1	2067987684	CAQZTMDUJMOBTC-CBCUQQMYSA-N	249.442	4.667	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@H]3CCCC[C@@H]32)CCC1	2069278700	MNQCJLMZGADBKW-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(OCC2(C(C)(C)C)CCC2)c(C)c1	2071916791	CVFBPGDIJSKQRO-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
Cc1ccc(C(=O)C2(C(C)(C)C)CCC2)cc1F	2071926951	VMSQRKWTVCOJJV-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@H]2[C@H]3CCCC[C@H]32)CCC1	2071927686	CPTQGVUTXJYVNX-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C[C@H]1CC[C@H](C)CC1)[C@@H](O)c1ccccc1	2072791687	SNSLSSJFNSPHPZ-QBYUYEEZSA-N	246.394	4.573	0	10	BJAE	
CN[C@H](C[C@H]1CC[C@H](C)CC1)[C@@]1(C)CC=CCC1	2072793511	KQKSTLMHDGGXIX-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CC[C@H](C)CC2)c1C	2072869566	RODACSOPCXNZRT-NNUKFRKNSA-N	244.378	4.703	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cccc(C(C)C)n1	2073293107	VBJJUEWLUSSGNF-CQSZACIVSA-N	248.414	4.976	0	10	BJAE	
CCC[C@]1(C[C@]23CCCC[C@@H]2C3)CCCCCN1	2074028962	KRQJCPYCOQCPGR-BRWVUGGUSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@]23CCCC[C@H]2C3)C1	2074090291	IXQONTORYLQIQX-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)[C@@H]1CCCC12CCC2	2074633903	JMHFEHFVMRKKHR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@H](N[C@H]2CCCC3(CCCC3)C2)CCCC1	2075365086	KPICHKUNPQWIEI-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC(C)(C)[C@@H]1CCCN([C@H]2C=CCCCC2)CC1	2075401508	NPMXZIPBJCOGJL-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC(C)(C)C1CCC([C@@]2(N)CCC3(CC3)C2)CC1	2078348824	VYAZTYQTOOBZAO-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2C[C@@H]2C2CC2)cc1	2079253875	AYWJNBRPYKTBIU-YLQAJVPDSA-N	243.394	4.658	0	10	BJAE	
CC1(CN[C@H]2C[C@H]2C2CCCCC2)CCCCC1	2079526685	DXPZKQCDTUNNFB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@@H]1C1CCCCCC1)C1CC1	2079532900	XOEUJFUSGCBXNG-IXDOHACOSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](C[C@H]1C[C@@H]1C1CCCC1)C1CCCCCC1	2079869264	CTPNMDSWLANOKG-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC2(CCCC1)C[C@H]2CNC1CCC1	2083205347	ZJKPRMHTMLESEB-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H]1C[C@@H]2CC[C@H](C1)N2[C@@H]1C=CCCCCC1	2084511376	PFZWPOUQENBQFP-VQHPVUNQSA-N	247.426	4.528	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N(C)[C@@H](C)c2ccccc2)C1	2085290054	GMBPAMIENDQDAM-UAGQMJEPSA-N	245.410	4.504	0	10	BJAE	
CCCC[C@@](O)(CC)CC1(C)CC(C)(C)C1	2211665680	RTMLLIMLQYMOKU-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCCCCN1CCCCCCC1CC1	2213579610	UKUABVCCWXZREN-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CC(C)(C)C1([C@H](O)CCCCC2CC2)CCC1	2214577137	FZBYHPNDWYCMDL-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCSc1cccc(NCC[C@H]2C[C@@H]2CC)c1	2215310309	CRFMDTLSLOOSDY-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)CCC1CCCCC1	2215340880	KLWDTLQHSLASAF-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC2(C)CC(C)(C)C2)C1	2215386881	QRGMXVBBHFMUGV-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1(C)CC2(CCC2)C1	2215390538	ZHENNRZOKSPILK-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC1(C)CC(C)(C)C1)c1cccc(N)c1	2215395094	JSBTWMGORXVYEC-LBPRGKRZSA-N	231.383	4.589	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)C[C@H](C)CC(C)C)CC1	2215819737	YKLMDGCDWMRNFQ-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
C[C@@H]1CC[C@@H](CCCCCCCC2CC2)C1=O	2216879559	KIKGIUBCXDGYKW-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@]1(CN[C@@H](C)CC)CC12CCCC2	2217157801	VYKSTXVFZVVADD-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(N[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218329436	CDYDRGYPPMYOJB-QZRVTLOJSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218348934	DOMVXSYBIXLOLB-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C(=O)CCCCC1CC1)c1ccccc1	2220022473	IVECQGPJJIIRAK-INIZCTEOSA-N	244.378	4.720	0	10	BJAE	
CC1(CC(=O)CC[C@H]2CC2(C)C)CC2(CCC2)C1	2221084680	WOEYDMDFUXKARO-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C2=CCC(C)(C)CC2)CC1	2221621814	GALRHYAHRFIAJT-WBVHZDCISA-N	247.426	4.587	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](N[C@H]2C=CCCCC2)C1	2222265333	ZVXHLCLDIVRASA-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
CCCCc1ccc([C@@H](N)CCC(C)C)s1	2242598341	AVPZVJYPDYRJRY-ZDUSSCGKSA-N	239.428	4.527	0	10	BJAE	
CC[C@@H](CN)CCC[C@H](C)CCCC(C)C	2244841184	DDEXUQDFKPFUTA-HUUCEWRRSA-N	227.436	4.604	0	10	BJAE	
CCCCC[C@H](CC)NCCCC[C@H]1C[C@@H]1C	2247098792	REXUIATZKXUTQV-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@H](CCCC[C@@H]1C[C@@H]1C)NC	2247162422	GOWSARXXSXDCGB-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCCC[C@@H]1C[C@@H]1C	2247176769	RNPQKAZIDRZZFZ-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H]1CCC12CCC2	2247438697	GFRSQISBPWOEBV-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CC(NC(C(C)(C)C)C(C)(C)C)C1	2247750695	MZKLJJREGJWIKU-UHFFFAOYSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)C[C@H](O)CCCCC[C@@H]1C[C@@H]1C	2248838545	IAMKZROVMVPTNJ-NUEKZKHPSA-N	240.431	4.780	0	10	BJAE	
FC(F)c1cccc(NC2CCC=CCC2)c1	2249273463	YAOOKSHDVSDREX-UHFFFAOYSA-N	237.293	4.535	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1CC(C(C)(C)C)C1	2250358642	OELUSTZDRFDQLV-MOKVOYLWSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@@H]1CC[C@H]1C	2250485801	OJTDPDBFFSQVGS-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@H]1C)[C@]1(C)C=CCC1	2254527516	FQNFOFGMHADUEL-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)c1ccc(F)cc1	2254540527	XTNSHZYKNJNLNI-TZMCWYRMSA-N	248.341	4.615	0	10	BJAE	
CCCNC[C@]1(CC2=CCCCC2)CCC[C@H]1C	2255098497	DEVOVVVHZNZJKL-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)CC[C@@H]1CCCC12CC2	2255233850	JDWKGDVYKZTYNP-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@@H]2CCCC23CC3)[C@@H]1N	2255263950	MUNHMXCXOGORPO-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)[C@]1(C)CC=CCC1	2257279758	DCFYSNSYQKNNJH-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(N[C@H](C)C2CCCCC2)cc(C)c1C	2258238860	RCQPJPYJHWIDLB-OAHLLOKOSA-N	245.410	4.993	0	10	BJAE	
CC[C@H](Nc1cc(C2CC2)ccc1F)[C@H]1C[C@H]1C	2259128195	YIXRIZNQJBGYOE-DGFSRKRXSA-N	247.357	4.550	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@]1(N)C[C@H]2C=C[C@H]1C2	2259598742	CINJZJBGPUVNSA-LTIDMASMSA-N	249.442	4.523	0	10	BJAE	
C[C@H](C[C@H](N)[C@]12CCC[C@@H]1CC2)C1CCCCC1	2260502621	SNWADRBZWXXPMZ-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@]12CCCC[C@@H]1CC2	2260584486	VMRLKLKFAPFDFO-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC=C[C@@](N)(CC2CC(CC(C)(C)C)C2)C1	2261259202	SRZGPJLHZIXQFC-VXTDNTOSSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2CCCC[C@@]2(C)O)C1	2298259009	HRTAQOMMUBAIFG-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@]1(N)CC[C@H]2CCCC[C@@H]21	2300706985	WOSXYFQTFPCYFI-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC(=CCCC1(O)CCCC1)CCCC(C)C	2300930787	DDGJZAUTOBFYBD-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
C[C@@](O)(CC1CCCCCC1)CC1CCCC1	2301137536	KMHVILRZXDRMAT-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC[C@H](CC2CCCCCC2)C1=O	2301147135	GTYXWVAUYBUOOA-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H](C)[C@H](C)C(C)C	2301827429	BFIZQSIMMSMVGN-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C[C@H](O)CC1CCCCC1	2301959140	QRAYFKAIPLOTEV-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N[C@H](C)C1CCCCCC1	2301961765	NMRAPYKNQLTTCT-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)CN(C)CCCC1=CCCCC1	2302341912	BJULFJSXOMJIFX-HNNXBMFYSA-N	237.431	4.635	0	10	BJAE	
C[C@H]1CC[C@@H](CCCC2=CCCCC2)CC1=O	2302344966	MGCDWKRQJJCZMD-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CCC1(CC)CC(O)(C[C@H]2CCC(C)(C)C2)C1	2302709655	JZJITQFEGPPPAZ-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCc1cscc1NC1C2CCCC1CCC2	2302888899	DTAZXRVTOJLZJX-UHFFFAOYSA-N	249.423	4.691	0	10	BJAE	
C[C@H](C[C@H](N)C[C@@H]1CCC(C)(C)C1)C(C)(C)C	2302900393	DHYWHVDJAJBWLB-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C(=O)C[C@@H]1CC[C@H]1C(C)(C)C)C(C)C	2303475634	CMIKQDLDYVKKIL-BFHYXJOUSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@@H](N)C2CCCC2)C1	2304440734	VTCTXJNUIZSMQH-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@@H]1CCC[C@H](C)C1	2306829863	BLEUCZBHIPLWOO-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NC)c1cc(C)ccc1C(C)C	2307502011	AHQYRBJKOMURHH-INIZCTEOSA-N	233.399	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1(CC2CCC2)CC1	2307896791	XNXTVBNQLWEPQR-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@H](C[C@@H](CC)CCC)C(C)(C)C	2307924791	FGWOFGWXAITVPD-LSDHHAIUSA-N	241.463	4.865	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)[C@@H]2C[C@H]2C2CCCCC2)C1	2311525981	NJEYTDUZCUBDCA-LUYZLQTOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313183457	SFLAVUBTWUWBFV-ZOFXXKQRSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@@]12CCC[C@@H]1CC2	2313291324	USZKYEWQIXFRHU-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@H](CC)c1ccccc1	2316247139	AXFXNXKSELPRJX-IAGOWNOFSA-N	248.410	4.758	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1CCC2(CC1)CC2	2316511380	ZPAXRPSBGHAJEU-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316701415	NOSWEYIWZAOOJA-MWDXBVQZSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@](N)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316872171	HLQUHHZNWHZJFR-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
NC[C@@H]1CCC2(CCC2)[C@@H]1CC1CCCCCC1	2317004307	ZIGWMBDSHQWPNN-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@H]1CC(C)(C)[C@H]1C	2318232797	GORICFOPFQGNFQ-MAZHCROVSA-N	246.394	4.526	0	10	BJAE	
C1=C(CCCC[C@@H]2CC[C@@H]3C[C@H]2CO3)CCCC1	2318572925	LOMWVQFAWZYYEZ-IXDOHACOSA-N	248.410	4.862	0	10	BJAE	
CCNCC1(CCCC2=CCCCC2)CC=CC1	2318587931	WKNPIOADCKNMKE-UHFFFAOYSA-N	247.426	4.603	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@]12CCCC[C@@H]1C2	2320219055	GFXQPVTXRKIWGW-VMUDFCTBSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCCCN1C[C@@H]1CCC(C)=C(C)C1	2320346294	DRPNOAKOXHPNCI-SJORKVTESA-N	249.442	4.778	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H]1C[C@H](C)Nc2ccccc21	2320381365	RRWADEYCQGRDNX-GBJTYRQASA-N	243.394	4.801	0	10	BJAE	
CNC[C@]1([C@H]2CCC(C)(C)C2)CCC(C)=C(C)C1	2320402871	WNWXMLALGACREU-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@H]2CCCC[C@H]2C)CC1	2320410891	BLILOCWIXRUOFE-OIISXLGYSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2320410901	GZCPJUJNNIGZIF-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CC(=CC[C@@H]1CCC(C)(C)C1)c1cccc(N)c1	2321634847	VTNRFUWEFRFBNR-CQSZACIVSA-N	243.394	4.889	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@](N)(C2CCC2)C2CC2)C1	2321642693	QLBSQCBBKPOZCI-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC12CC(C[C@@H](N)C3CCCCC3)(C1)C2	2321651344	OKKRPNMSQMXHHK-KLAILNCOSA-N	249.442	4.501	0	10	BJAE	
Clc1cccc(NC2CCCCCCC2)c1	21014051	YTXPLJVOCLWVPX-UHFFFAOYSA-N	237.774	4.865	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1Nc1cccc(Cl)c1	21802994	PPMNYCZYYPDEAA-GHMZBOCLSA-N	237.774	4.577	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CCC[C@@H](C)C1	22149812	ZQJBVXMXGKIRSL-MFKMUULPSA-N	237.774	4.639	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](NC)C(C)(C)C)cc1	35469028	IUGVMYWRDWUGEH-DOMZBBRYSA-N	233.399	4.507	0	10	BJAE	
CCN[C@H](CC(C)C)c1c(C)c(C)cc(C)c1C	35547158	WTYGBPUYQMEWFI-MRXNPFEDSA-N	247.426	4.617	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)c1ccc(CC)cc1	36792260	GDJHOWZFMGHLAL-HUUCEWRRSA-N	247.426	4.868	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCC[C@@H]1CC	37031840	SBTPZKXQBQETJJ-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
C[C@H](N[C@H](CC(C)(C)C)c1ccccc1)C1CC1	37128585	MCCVOPXETPQGFB-XJKSGUPXSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](C)Nc1cccc(Cl)c1Cl	37243591	OCVBWPMJNCAPCD-VIFPVBQESA-N	246.181	4.984	0	10	BJAE	
CCc1ccc(CC)c(C(=O)C2CCCCC2)c1	70440074	XBYZXDQNMXNZLU-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CCCC[C@H](CC)NC1CCC(C)(C)CC1	70655278	PNZWZNOEXJFADS-ZDUSSCGKSA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@H](CC)C1	70761509	YOYCWGAJPNKEAT-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccc(C)cc1F	70977723	JUFZEBYTCVEXCK-JSGCOSHPSA-N	235.346	4.515	0	10	BJAE	
CCCCC[C@]1(N)CCCC[C@@H]1C(C)(C)C	71084948	KPMUEFKHYUTPHS-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
Clc1ccc2nc(C3CCCCC3)oc2c1	75841527	SBFSTURBNZUBGT-UHFFFAOYSA-N	235.714	4.529	0	10	BJAE	
CC(C)c1ccccc1Nc1cccc(F)c1	82715528	GIPHMFHCPPFWDQ-UHFFFAOYSA-N	229.298	4.693	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCCC(C)(C)CC2)o1	86899633	QIHHDASFJFLYRZ-KGLIPLIRSA-N	249.398	4.598	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1CC[C@H](C)C1	87991667	OVKZOTDZJYZBPK-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](CC)c1ccc(C)cc1	88294413	BXEWBHSKADQXFT-QRTARXTBSA-N	247.426	4.860	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@@H](C)c1ccccc1	88764970	AECXTKRDZHTICU-LBPRGKRZSA-N	246.737	4.788	0	10	BJAE	
CCCC[C@@H](N)c1ccc(C(C)(C)CC)cc1	90482912	RPMUFXKDVIVGFH-OAHLLOKOSA-N	233.399	4.564	0	10	BJAE	
CCC(=O)CC[C@@H](CC)c1ccc(Cl)s1	107595725	YPQWIRMJRXQEHJ-SECBINFHSA-N	244.787	4.654	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1ccc(C(C)C)cc1	109718155	WZYISFLBIVDGMO-CZUORRHYSA-N	233.399	4.507	0	10	BJAE	
CCCCC[C@@H](NCC(C)(C)C)c1ccccc1	109922276	HKKURZWHFZADLE-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1ccccc1C1CCC1	132573980	BXUPEIZXDABBEZ-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](C)CC(=O)C1(CC(C)C)CCCC1	168050306	JAKYXEGGWARGHB-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1CCC(C)(C)C	217668446	DLXDANFFKYQWNW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)NC1CCC(C)(C)CC1	225979755	INVYHNSQCOIRKJ-CQSZACIVSA-N	239.447	4.904	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@@H](C)C[C@@H]1C	226171108	YYEWKYAUMFADIS-XFIYOXNOSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1cc(C)cc(Cl)c1	229271898	JQYYGGCUSYWETG-QMTHXVAHSA-N	240.774	4.508	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CCC[C@H](C)C2)c1	232230663	IHPBSOUNSRVZLG-JQWIXIFHSA-N	237.774	4.639	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H]1CNc2ccc(F)cc21	235396646	DCELASMPNSWEKF-ABAIWWIYSA-N	247.357	4.551	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1C[C@@H](C)C[C@@H](C)C1	250445983	UOOUNOXDURZRJY-VIKVFOODSA-N	245.410	4.794	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@H]2CCC[C@@H](C)C2)C1	252593984	GFVFMRVODNCARC-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@@H](O)c1ccc([C@H](C)CC)cc1	253248563	ULODOUBQGREEQL-WOSRLPQWSA-N	234.383	4.670	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)[C@H]1C[C@H]2C=C[C@H]1C2	300691410	UHHKWUKEHKCAFO-JSRQGNBESA-N	249.442	4.536	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)C[C@H]1CCCC(C)(C)C	302275671	ICAXRPNKJUGFPO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CCCC(C)(C)C	304160323	WMQCKJDCWRQEAG-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](CCC)C1CC1	304397044	ZWMQBFJEAAOCJQ-HUUCEWRRSA-N	225.420	4.514	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CCC1CCCC1	305896610	LOKPJEDCIGERRI-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCc1ccccc1[C@H](CCCC(C)(C)C)NC	305927944	NXRPCKGNIHWWSR-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1ccccc1C1CCC1	305935037	PVKLUQFRGNOIHA-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
Cc1cc2sc(Cl)cc2cc1C(F)F	307672843	XYTAYCBMOAUVME-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@H](CC(C)C)c1nc2c(C)cccc2[nH]1	308054122	KLBYDFCKXHFLLR-CYBMUJFWSA-N	244.382	4.801	0	10	BJAE	
CC1CCC(C[C@@H](N)CC2CCCCC2)CC1	310218585	GNEUZGRYMZMTIW-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCC(C)(C)C1)C1CCCCC1	310375345	ZMNUKDGKZJKHPE-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCC[C@H](C)C1)NCCC	310458751	XJZNTVNDGTURCA-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CC2CCC(C)(C)CC2)C1	310520217	NINBFNKAKPVUEE-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@H](NCC)c2cc(C)ccc2C)CC1	310930374	LKUIVFMLSODNNT-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C2(C)CC2)c(C(C)C)c1	310986025	YTTXOYLNNAWFGV-MRXNPFEDSA-N	245.410	4.733	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)c1ccccc1C	311023839	ZRBLCQCHVSGKCQ-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCC1CCC(CNC)([C@H](C)CCC)CC1	317940559	FIQMUJDHHIEAES-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](c1c(C)cccc1C)[C@H](C)[C@@H](C)CC	319791496	IBABSJRUJARHJA-MJEQTWJJSA-N	247.426	4.636	0	10	BJAE	
CCC[C@@H](Nc1ccc2c(c1)CCC2)C1CCC1	322864146	USSPAFJSYOCRPA-QGZVFWFLSA-N	243.394	4.556	0	10	BJAE	
O[C@H](CCCCC1CCCCC1)c1ccccc1	380664690	BTTYHEWOOGNSKV-QGZVFWFLSA-N	246.394	4.861	0	10	BJAE	
Cc1cc([C@@H](C)N[C@@H](C)CC(C)(C)C)cs1	384525292	LBYCMIKEKJHINM-CMPLNLGQSA-N	239.428	4.532	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H](C)CC(C)(C)C	384655150	VBAOTCUUVCIDHW-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccc2ccccc2c1C	384660381	BDEGZRKTJNDLQN-LBPRGKRZSA-N	240.346	4.767	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCCC[C@@H]1C	384766365	BEXGKUKYZIDMLF-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)CCC1=CCCCC1	384826382	DIDNGMFEZWHDAQ-LSDHHAIUSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CCCC12CCC2	394791934	XHOXJBYUGCOEEA-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
C/C(=C/CCNC(C)C)C[C@@H](C)c1ccccc1	395002085	GDDUPZNLHPNANR-QOBZYLRHSA-N	245.410	4.515	0	10	BJAE	
CSc1cc2ccc(C(F)F)c(F)c2s1	396260107	YTEZLTKURXWCJS-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
C[C@@H](CC(=O)CCC1CCC1)CC(C)(C)C	398656641	CLGOTMNDQFTPCG-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](C[C@@H](C)C1CCC1)NCCC	398688305	FXAZWTTWKSYWPJ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC1CCC1)c1cc(C)cc(C)c1	398808525	QKEPUEHRNYZVEX-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCCc1ccc([C@@H](O)[C@@H](C)C(C)(C)C)cc1	399151856	JPELSMNUGFLRQK-CJNGLKHVSA-N	248.410	4.745	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1ccc(C)c(C)c1	401587259	NVMZGBVDIGOWKQ-CVEARBPZSA-N	245.410	4.932	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)c1ccccc1	405629924	VZKSXYCEUREEMB-QGZVFWFLSA-N	247.426	4.523	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCCC1CCC1	688405814	RYYMTRQYWVAMQU-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
O[C@H](CCCC1CCC1)CC1CCCCCC1	688413869	CMQWSNQZUGUHTB-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)c1cccc(C(=O)C(C(C)C)C(C)C)c1	688935872	KYOXKPRZHCDFSF-UHFFFAOYSA-N	246.394	4.921	0	10	BJAE	
CC(C)(C)CCCNc1nsc2ccccc12	690553734	ZKPNBOXEXXYIDR-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H](C)CCC(C)C	691098327	JAJOJMIYDUJDKB-BZUAXINKSA-N	239.447	4.760	0	10	BJAE	
CCc1ccc(NC(C2CC2)C2CC2)cc1Cl	691263716	DGEZKASWCBXKHM-UHFFFAOYSA-N	249.785	4.503	0	10	BJAE	
CCC(C)(C)CC[C@H](CC(C)(C)C1CC1)NC	696583382	VVDTWPSBNOICBQ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C1CC(C)(C)C1	701452888	WXXMSLPYMWFJAH-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@]1(N)CCC(C)(C)C[C@H]1C	704463835	WETJTRLZBIKIAH-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(N)CC2CCCC2)C1	704913948	MIDXZXCFVYUDIT-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(c1ccccc1C(C)C)C1CCCC1	704929463	RDZANZXHYNQBOZ-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
C[C@@H](CCC[C@H](O)c1ccccc1)CC(C)(C)C	709097387	NJRDYECWNPGZNH-HOCLYGCPSA-N	248.410	4.963	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H](C)CC1CCCCC1	709771311	ZKNGNDRWXWHWEJ-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)C(C(C)C)C(C)C	710792896	HWWTWVOAFQUQCR-KBPBESRZSA-N	241.463	4.575	0	10	BJAE	
CC[C@H](CC(=O)[C@H]1CCC[C@@H](C)C1)C(C)(C)C	711186222	BOUCLSGPFCXTQC-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CN[C@@H](CC(C)(C)C(C)C)[C@H](C)CC(C)(C)C	713131873	MACSSGYQUMRBRQ-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1CCC[C@H]2CCCC[C@H]21	714425118	RESCXTKMZXVORP-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCCCC2CC2)CC1	716358448	NELBBXUYIMUBLE-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCCC(C)(F)F	718584972	PSAGBHXDEHRHDP-OCCSQVGLSA-N	248.357	4.533	0	10	BJAE	
c1ccc(SCCCC2CCCCC2)nc1	1643402287	KAXYYAJCAKHKFU-UHFFFAOYSA-N	235.396	4.534	0	10	BJAE	
C=C/C=C\CCSC[C@H](C)c1ccccc1	1643904640	FDALFXOIIJRZHU-WSNITJDQSA-N	232.392	4.656	0	10	BJAE	
Cc1cccc(SCc2cc(C)sc2C)c1	1651783738	BUMSHPVSTDMKHA-UHFFFAOYSA-N	248.416	4.966	0	10	BJAE	
CCCCCCN1CCCC2(CCCC2)CC1	1659395215	ROFHKCLRXMJLJP-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
CC(C)C(=CC1CCCCCCC1)CNC1CC1	1879302753	ZSSFDVDAGOHSEG-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CCC(=O)CCC[C@@H]1C[C@H]1C	1902189930	OZOUBCPIEABQCK-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@H]1CCCC(C)(C)C1	1906874167	QHXCTDJQROIPKN-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@](C)(O)CC1CCCCC1	1908555524	KXNWVAJXZXYRSB-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1COc1ccccc1C(C)C	1910797558	CECJSHIIEBJPTM-KGLIPLIRSA-N	232.367	4.625	0	10	BJAE	
CCCC1CC(CO)(CCC2CCCCC2)C1	1921169779	RGPPDBXZYMSUMS-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CC1(C)CCC[C@@](O)(CC[C@H]2CC2(C)C)CC1	1921535647	DESLQNQWVJYJDU-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(CNC)C1CCCC1	1924083377	KHKDJMPEXYOEAE-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@@H]1C=CCCCC1	1925790579	KTVDBYRUZIMZTL-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C[C@@H]1C=CCCCC1	1925891899	QHZGPWHQLMXQIW-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1csc(Cl)c1	1928725743	YVCPBLGXMCRFLN-JOYOIKCWSA-N	246.803	4.507	0	10	BJAE	
CC[C@H](CC[C@H]1C=CCCC1)CC(F)F	1932599501	UZDMTAWBWFWFFI-NEPJUHHUSA-N	216.315	4.804	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC1(C)CCCCC1	1935604594	SXFDQOFJUMJIOV-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C(=O)C[C@@H](C)CC(C)C)C(C)C	1936205710	CWNQKYPCSZIPTJ-UONOGXRCSA-N	226.404	4.700	0	10	BJAE	
CC1(C)CC[C@H](c2nc(C(C)(C)C)cs2)C1	1938011663	DFAYPMYTBNXCGV-JTQLQIEISA-N	237.412	4.734	0	10	BJAE	
CC1(C[C@H](CN)C2CCCCC2)CCCCC1	1940406857	NHZRQGRUGUVBSB-OAHLLOKOSA-N	237.431	4.502	0	10	BJAE	
CC1CCC(C(=O)CCC[C@H]2CC2(C)C)CC1	1940879809	DVRVIHMVJQKSLM-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1cccc2ccsc12	1941252993	SIGKBCWLEGOTAW-OCCSQVGLSA-N	248.391	4.617	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21	1941719417	YTEGVGJRTSHQOT-SOUVJXGZSA-N	234.383	4.518	0	10	BJAE	
N[C@@H](c1sccc1C1CC1)C1CCCCCC1	1942505829	MLBQPYJXARXYFY-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H](C)CCC(C)C)C1	1942651929	BRZVXEIDLZTCAG-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C(C)(C)C(C)C	1944668397	NAYSLJXVPMTSNQ-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc(C)c(C)c1	1947457330	FKTOSRWTXUUMAQ-GOEBONIOSA-N	231.383	4.684	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@@H]1C=CCCC1)CC(C)(C)C	1947585930	FUFBHHBENRALGF-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
Clc1cccc(N[C@H]2CCCCC23CCC3)c1	1947880078	VFZAQHSHQYHZBR-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1CCC2(CC2)C1	1950261258	SPEFIYSVWHLFEN-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C2CCCCCC2)CC1	1950928904	BSFYARRWDMIMKK-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC2CCCCC2)CC1	1950929558	IAXIXTIFSZPTAC-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC(=C(F)F)C1CCC(C)(C)CC1	1955258765	OFFPJONHLFKGIF-UHFFFAOYSA-N	202.288	4.763	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCCCC[C@@H]2C)C1	1963183053	PUDBFDXZSVNMDD-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCC[C@H](C(C)C)C1	1963229061	OZKGFBMYOPRHCD-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CCC1(C)CC(NC2CCC(C3CCC3)CC2)C1	1966052792	IWXYXQSMLQXYLB-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1CCCCC12CC2	1972726081	VLWWKLOKBNDVEK-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)CCC(C)(C)C	1973164747	XGWDDMCODZUFBN-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](C)(CNCC)CC(CC)CC	1978640361	WAJPLLPHXHRDDT-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
C/C=C/C[C@@](C)(CCCC)CNC(C)(C)C	1983585297	ONQXABISYDGVRV-HEWZJLJBSA-N	225.420	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H](C)CCC	1984604838	CIUCNQGXJAWLPM-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H](C)CC)NCCC	1984637998	CWMFSXKEIKTILF-YKHJJTLOSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H](C)C1CCC1	1991141177	XEFSOKWWRZDDMG-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC=C(C)C)NC	1993588003	PRMCMFJQEMHZDI-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCCC(C)(C)C	1993592289	OEPRDVNJXDRKPX-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H](C)CC(C)C	1995213887	HORZQHJVEWYVLH-KBPBESRZSA-N	226.404	4.844	0	10	BJAE	
CCC(CC)CCN(C)CCC[C@H]1CC1(C)C	1995888164	KLNBRMFFAIZJEU-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CC(C)CC[C@@](C)(O)C[C@@H]1CCC=CCCC1	2000001556	NMZAEKJBYNWMIY-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC[C@](O)(C1CCCC1)[C@@H]1CCCC(C)(C)C1	2000040368	DBAZLENYMWWJOT-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CCNC(C)(C)C)[C@@H]1CCCC(C)(C)C1	2000161994	JIELYCYDCPJWOH-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@@H]1CC=CCC1	2000518739	ROEIDJWNCUYZJD-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCCCC12CCCCC2	2001577869	ICYUVRCJOYUALY-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@]1(C)CC=CCC1	2001659952	RNZRMDDDKFJIMB-OWCLPIDISA-N	237.431	4.667	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)CCCC2(C)CC2)C1	2003019326	WYRNARPMSHERRY-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@](C)(F)C(C)(C)F	2003225148	SODDSHZPPWTUIT-FZMZJTMJSA-N	248.357	4.638	0	10	BJAE	
CC[C@H](N[C@H](C)C1(C)CCC1)C1CCCCC1	2004833457	JZTAVVYTSSUEOD-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCSc1ccccc1N[C@H](C)C1(C)CCC1	2004838350	YZFDEBSKAUHESN-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CC1=CCCC[C@H]1NC(CC(C)C)CC(C)C	2007028010	UXNSTJYLKQDJNL-MRXNPFEDSA-N	237.431	4.536	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)C[C@@H](C)CC	2007804220	YRGZXFYHTHRMNF-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@]12CC[C@@H](Nc3ccccc3Cl)[C@@H]1C2	2009131640	OOQQPRYGJCKSAX-NJZAAPMLSA-N	249.785	4.577	0	10	BJAE	
CCCC1CC(Nc2ccc(CC)c(C)c2)C1	2009715470	FWPYIXRZCVVYRK-UHFFFAOYSA-N	231.383	4.548	0	10	BJAE	
CCCCCC1CC(N)([C@H]2CCC[C@@H](C)C2)C1	2009792183	VQSPXRFFWPNTNY-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CC(=O)CC(C)(C)C1	2012083009	GAVNOCDSURELQV-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@](N)(CC12CCC(CC1)C2)C(C)(C)C	2012837017	SRGLWGYHIQTABU-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C)c1ccccc1	2013263328	GTJPVXIOCHBXEU-ZBFHGGJFSA-N	233.399	4.552	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)[C@@H]1CCC1(C)C	2014904119	VLVFQWOTHVDQAW-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C[C@@]1(O)CCCCC[C@H]1C)C(C)C	2015278737	QQHVAFIEGAHLMJ-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@](C)(CNCC(C)C)C[C@@H](C)C(C)C	2015399698	ORZCUNJDVCEOLY-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCC[C@@H](C)C2)CCC1	2015589638	XVNPKPBWNAMQNR-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCC1(CN(C)[C@H](C)CCC(C)C)CCC1	2015594244	HJEKZICWRLEIQG-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCCC1(C[C@@](C)(O)CC2CCCC2)CCC1	2015633234	FZYUQNRKBWRSEC-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC(C)C1(C[C@H](N)C2(C)CCCCC2)CCC1	2017145146	HAOXOTAGMWJPII-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](CNC(C)C)(CC(F)=C(C)C)C(C)C	2017467754	YQAOSNRLFHULOH-HNNXBMFYSA-N	243.410	4.690	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@@H](C)C(C)C)CC1	2017722637	HHMYGRYFLQUKGT-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CC=C(CC)[C@@]1(N)CCCC2(CCCCC2)C1	2020913939	OCJRMPDOHLNUKE-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H]1CC[C@H](C)CC1	2020974989	WMJOYKJJZOKUAI-FVQBIDKESA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@H]1C[C@H]1C(C)(C)C	2022452617	YKWKXCDFJXCVBF-FMKPAKJESA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H]1C[C@@H]1C(C)(C)C	2022477495	LJAXXARSORYQJZ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC1(C(=O)C[C@H]2C[C@H]2C(C)(C)C)CCCC1	2022558750	ZBNKBQUOPRLOKS-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CC1CC(CC)C1)NCC	2025431333	DZOGOLJEYFRRDM-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](O)(CC2(C)CCCCC2)C1	2025571269	UCIWKVZZRPGILW-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CC[C@@H](C(C)C)C1	2025572385	WANJVHXPEGKNQL-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)[C@@H]1Nc2cc(C(C)(C)C)ccc2O1	2027856614	AIUJAHZCFRVUAM-OAHLLOKOSA-N	247.382	4.551	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1ccc(CC(C)C)cc1	2028231172	CAEPUEVUQKHNCN-SJORKVTESA-N	248.410	4.601	0	10	BJAE	
CCCc1ccccc1[C@@H](N)[C@H](C)CCC(C)C	2029823182	GUSPUNDDRQFRSU-PBHICJAKSA-N	247.426	4.711	0	10	BJAE	
C=CC=CCC[C@@H](NCC)C(C)(C)C1CCCC1	2032300870	LCAKHILVNDXHIQ-MRXNPFEDSA-N	249.442	4.703	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)c1cccc(C2CCC2)c1	2032343909	LIJFBDQCLYLWKR-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CC1(C)[C@H]2CC(C(=O)CCCCCC3CC3)C[C@@H]21	2032585793	CLSXMQFWNLVJKS-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@H]2CC[C@@H](F)C2)cc1	2032938814	KASOLAQAYNZEJX-SWLSCSKDSA-N	248.341	4.521	0	10	BJAE	
Cc1ccc(C)c(NC2CC(C3CCCC3)C2)c1	2033783422	PGSGHLFMGXODJL-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC2(CCCC2)C1)[C@H]1C[C@H]1C	2034363531	NJRMVWDJWYEWLG-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1C=CCCC1	2035555211	LMRMPJFNEKZQBI-OAHLLOKOSA-N	244.378	4.854	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C[C@@H]1C=CCCC1	2035576211	NNXNJDQKLSQNDH-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCCC12CCC2)C1CCC1	2035887443	UWRDGJZXTRUJEI-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@H]3CC[C@H]2C3)CCCC1	2035892405	RJGAHIBZKJBVJL-YQQAZPJKSA-N	249.442	4.658	0	10	BJAE	
CCC1(C[C@@H](N)c2cccc(C3CC3)c2)CCC1	2036351695	FIGZWACUWIRRJY-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1c(C)oc2ccccc12	2037128800	VJXBWRATPGVNDG-ZDUSSCGKSA-N	245.366	4.567	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@@H](C)C1CCC1	2037157050	BWCBAGAXEJXEHR-VBQJREDUSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc([C@H](O)[C@H]2CCC[C@H](C)CC2)cc1C	2039358987	HBNCQJRBQUMHEI-YLQAJVPDSA-N	246.394	4.553	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H]1CCC[C@@H](C)CC1	2039378191	XEEHFGJXMRDOBB-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1ccc(F)cc1C	2039446486	GYGHUSFUMKSHFR-IUODEOHRSA-N	247.357	4.538	0	10	BJAE	
C=CC=CCC[C@](N)(CC)C1CCC(C)(C)CC1	2040649178	ZLUKDQKQDFUHMO-QGZVFWFLSA-N	249.442	4.833	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NCC1(C)CCCCC1	2043187057	JGTLMGXMTLJQCC-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
CCCc1ccccc1C(=O)C1(CCC)CCC1	2045565056	PDUVEJLRMMYSFQ-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
N[C@H](C[C@H]1CC12CCCC2)C1CCCCCCC1	2047021556	XRCPIAARRPDBTG-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@@H]1CCC12CCC2	2047939799	QDAMLOSWGXRVSB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C[C@H]2C=CCCCC2)C1	2049562520	ZASAPMUTQYDYSJ-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@H]1CCCC2(CC2)C1	2049851828	CKDKIRMLOYGENA-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)CNc1ccc2[nH]ccc2c1	2052178407	YEDBRTGHVRALDD-UHFFFAOYSA-N	244.382	4.796	0	10	BJAE	
CC(C)c1ccncc1NC1CCCCCCC1	2053854674	WAPZDKARIWLPMZ-UHFFFAOYSA-N	246.398	4.730	0	10	BJAE	
CC1=C[C@@H](NC2CC3(CCCCCC3)C2)CCC1	2055551848	JPWHDKPLYQJJSJ-HNNXBMFYSA-N	247.426	4.578	0	10	BJAE	
CCCC1([C@@H](NCC)C2=CC[C@@H](CC)CC2)CC1	2061087516	GJNFTSZTARBFBL-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@]1(C2=CC[C@@H](C(C)(C)C)CC2)CCCN1	2061096670	WOOQSIIAMVZTBT-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)[C@H](C)C2CCCC2)CC1	2061140903	QTTNDEUMLDHWPO-CPUCHLNUSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@H](NCCC)C1C[C@H](C)C[C@@H](C)C1	2061561079	NUEJQCZBKWWRNO-INMHGKMJSA-N	249.442	4.548	0	10	BJAE	
CC1(CC(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063419738	TZFOCIRXUJQLEL-QKDCVEJESA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](CN2CCCC23CCCCCC3)C1	2063438436	JWMWELUBWJCLBX-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CN[C@@H]1C[C@@H](CCC2CCCC2)CC2(CCC2)C1	2063641432	NLVUYBSVBRHPLF-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)CC23CCC(CC2)C3)CCCCCC1	2065275786	WWFGJAHJEBZPRF-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CC[C@H](CC23CCC(CC2)CC3)[C@@H](N)C1	2065328880	SYHXDTOREATNHI-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@@]12CCC[C@@H]1C2	2070925910	KCKGHNFPIUDWNC-BFYDXBDKSA-N	248.410	4.886	0	10	BJAE	
CC(C)C1(C[C@@H](C)[C@@H](O)c2ccccc2)CCC1	2071908471	NTPRMODSVOQRDA-GDBMZVCRSA-N	246.394	4.573	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCC[C@@H](C3CC3)C2)CCC1	2071945171	DGIOUHYFLZKMFL-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@]2(C)C=CCC2)CC1	2072874023	VXRJUKWXNKHLMW-BFYDXBDKSA-N	248.410	4.908	0	10	BJAE	
CCCC1CCC(CC(=O)c2coc(C)c2)CC1	2072875152	KYBVMBNDYKXVNS-UHFFFAOYSA-N	248.366	4.767	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@H]1CC12CCC2	2074647555	YWWWOXKZJSAVFZ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCCCN(Cc1cc(C)cc(C)c1)C(C)C	2074919877	AKLYIYRNKQOHDU-UHFFFAOYSA-N	247.426	4.704	0	10	BJAE	
CC[C@H]1CC[C@H](CN(C)[C@H]2C=CCCCC2)CC1	2075410989	ZMRMESKIVAVYJG-ULQDDVLXSA-N	249.442	4.633	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CC1)C1CC2(CC2)C1	2077263610	ZKZKZHPDDKDZTE-GFCCVEGCSA-N	241.378	4.555	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@@H]2C2CCCCCC2)CCC1	2079426348	AJEOKLBNPROFSN-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@H]2C[C@H]2C2CCCCC2)C1	2079491991	NJEYTDUZCUBDCA-VRKREXBASA-N	248.410	4.598	0	10	BJAE	
Cc1ccc2c(ccn2C[C@H]2C[C@H]2C(C)(C)C)c1	2079818106	HUGUIHWGCDKTEM-HUUCEWRRSA-N	241.378	4.632	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)C[C@@H]1C[C@H]1C1CCCCC1	2079864927	NKVAXMBFXAFOBD-GRDNDAEWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2C[C@@H]2C2CCCCC2)C(=O)C1	2079867620	VLDLZJOXWPAWEF-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H]1CC2CCC1CC2	2081796336	SCBAKWBOSBTSDP-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cccc(C(C)(C)C)c1	2083549173	HCDOMVJGFBUBEG-CYBMUJFWSA-N	246.394	4.993	0	10	BJAE	
Nc1cccc(C=CCCCCCC2CC2)c1	2213578027	HYANDNJIVRARMU-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
C[C@@H](CC[C@H](N)C1CCCCC1)CC(C)(C)C	2214775014	HPJYXMXMLQKFLV-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC[C@@H]1C[C@H]1CC	2215245506	HZRSRJVGUTVUHP-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC1(N)CCCCCCCC1	2215253564	RHFSXTWTCIVMFT-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCSc1ccccc1NCC[C@H]1C[C@H]1CC	2215312611	LVEBFCWRGPGMKC-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CC[C@H]1C[C@@H]1CCn1ccc2c(Cl)cccc21	2215344270	CQTWJAIMWWPOPY-RYUDHWBXSA-N	247.769	4.731	0	10	BJAE	
CC[C@@H]1C[C@H]1CCn1ccc2c(Cl)cccc21	2215344274	CQTWJAIMWWPOPY-VXGBXAGGSA-N	247.769	4.731	0	10	BJAE	
C[C@@H]1CCN[C@H]1CCCCCCCCC1CC1	2216890433	GDYXTVJATDMECW-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CCCC(C)C)CNC1CCC1	2217124110	DRBVOBQPRFNXSG-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@]1(CN[C@H](C)CC)CC=CCC1	2217152140	BLZMWVPXIDNWQD-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218349269	FWIAJQIQVCMSCW-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
C(CCCN1CCC[C@@H]2CCC[C@@H]21)CCC1CC1	2218731887	MTDGKLRBTUQEOH-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CCC(C3CC3)CC2)C1	2218896250	FXMBZWOFRPYMNS-LYAPFXNSSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC(=O)CCCCC1CC1)c1ccccc1	2220021160	ADGUCAVYRSDMRN-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
Cc1ccn([C@H](C)C23CC4CC(CC(C4)C2)C3)c1	2220100444	PIQQMQZRXJRKNS-CWJHNBGESA-N	243.394	4.574	0	10	BJAE	
CC1(C)CCC[C@@H](n2ccc3cccc(F)c32)C1	2220307417	JYKXACDOCPPDPQ-CYBMUJFWSA-N	245.341	4.922	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2220873014	FFZHPKDAOSDFKF-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1NCCC1=CCCCCCCC1CC1	2223108485	DVBIDGDBCOCUQP-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@@H]1[C@H]2CCC[C@H]21	2223132167	GXIGBTVDULKBCI-QLPKVWCKSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC[C@@]1(CNC2CCC2)CCCC12CC2	2223606814	OYTRPBIJQHQGGF-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@]1(C2CCC2)CCCN1[C@H]1C=CCCCCC1	2223849591	CSMDZRJSVCDYTE-DLBZAZTESA-N	247.426	4.530	0	10	BJAE	
C[C@H](CCC1=CCCCC1)CC(F)F	2241445274	XLWZTAZYKWTUJU-SNVBAGLBSA-N	202.288	4.558	0	10	BJAE	
CC[C@@H](C)SCCCCCCCCCCO	2244424835	NGLQRBGBNWAAAC-CQSZACIVSA-N	246.460	4.631	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cscc1C(F)F	2244783374	POLGTOLJLYKCCX-MRVPVSSYSA-N	246.322	4.695	0	10	BJAE	
CCCC[C@@H](N)CC[C@H](C)CCCC(C)C	2244838300	UFFWDKCWUQKFNB-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CC=C[C@](C)(N)CC[C@H](C)CCCC(C)C	2244848203	YURUQDHXUQOPRS-CABCVRRESA-N	225.420	4.523	0	10	BJAE	
CCC(CC)[C@H](C)NCCCCC[C@@H]1C[C@H]1C	2248874644	XSYXCRBMTDBRSZ-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(C)CCCNC1	2250487417	ASRIECYKSQLMRU-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(N)CC(C)C	2250514892	UFPNUMDLZQVFMI-HZPDHXFCSA-N	241.463	4.993	0	10	BJAE	
C[C@H](CC(=O)C[C@]12CCC[C@H]1CC2)C(C)(C)C	2251199993	CUBWCKJVFZPTMT-DVOMOZLQSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)[C@](C)(O)CC1CC(CC(C)(C)C)C1	2251583502	WTHCXKZSMKYXLO-UWLZSVRSSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](N)CC[C@H]1CCCCC12CC2	2253839178	MNLZAOJCVXCSRV-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CCC1(C(=O)CC[C@H]2CCCCC23CC3)CCC1	2253858832	WIVXMDWUOJLNAQ-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H](CC1CC1)NCC[C@@H]1CCCCC12CC2	2253883203	HNDTZYFQDVWUSD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NCC[C@@H]1CCCC12CC2)C1(C)CCCC1	2255245176	KJEFOPXQTABFJR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@]1(CC[C@@H]2CCCC23CC3)CCCN1	2255324552	YNEVPIFYMCZGPL-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@H]1C=CCCC1(C)C	2257359618	AVCQQGBLQFFRIY-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cc(C3CC3)ccc2F)C1	2259125907	JEASZQJWFXUAAE-SMDDNHRTSA-N	247.357	4.694	0	10	BJAE	
CCCc1ccc(CNC[C@@H](CC)CCC)cc1	2259472281	LUUGMUWDEXKCKY-HNNXBMFYSA-N	247.426	4.555	0	10	BJAE	
CC1CC2(C1)CC(C[C@]1(N)CCC[C@@H](C)CC1)C2	2259576733	OVJCLOWZTLKQND-SZXKPVLFSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CNC12CCCC2	2259611850	CBMGIFQCYPVKMP-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@]12CCCC[C@@H]1CC2)C1(C)CC1	2260584286	UREUUSQZHRDTDN-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H]2CCNc3ccc(F)cc32)C1	2261340098	UNISMUZBYWESJR-DYEKYZERSA-N	247.357	4.551	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@@H](C)CC1CC1	2298852092	MBSOHOGLIJSFFW-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@H](C)CC1CCC1	2298867443	FQRIPSALTIAUAY-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1C(CNc2cc(C3CC3)ccc2Cl)[C@@H]1C	2300671178	FGLGULIKGXTIQG-NXEZZACHSA-N	249.785	4.531	0	10	BJAE	
CCC(CC)CC[C@H](N)C1CCC(CC)CC1	2300687954	IDQSMZZTNDWLJS-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CC(=CC[C@@]1(C)CCC(=O)C1)CCCC(C)C	2300865660	QCFKJTUCXKHZGI-INIZCTEOSA-N	236.399	4.908	0	10	BJAE	
CCC(C)=CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1N	2300897098	PQMBBOZQYASSMP-QLFBSQMISA-N	237.431	4.523	0	10	BJAE	
CCC(CC)[C@@H](O)CC=C(C)CCCC(C)C	2300937906	SNRUSKCOWGQCOG-INIZCTEOSA-N	240.431	4.946	0	10	BJAE	
CCCCC[C@H](O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301136503	XYZYZKGRRDRXCT-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N[C@H]1CCCCCC1(C)C	2301708470	UWBAEACUWMUUED-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N[C@H](C)CC1=CCCCC1	2301843896	MNWHZNARCJYJEY-RBSFLKMASA-N	237.431	4.536	0	10	BJAE	
Cc1ccc(OCCCC2=CCCCC2)cc1	2302353755	JVTOKYWSRLUJKM-UHFFFAOYSA-N	230.351	4.654	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2(C)CC(C)C2)CC1	2303592508	LNEXYTZQGXUAKB-WMEQCIOUSA-N	234.383	4.518	0	10	BJAE	
CC1CCC(O)(CC[C@@H]2CCC(C)(C)C2)CC1	2304353048	XRJAOWAHFJBQMN-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@@](C)(CC)CC[C@@H]1CCC(C)(C)C1	2304428023	IYLRNQJMIDVBAO-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@](C)(N)CC2CCC2)C1	2304437579	YQGZOVIGLWGENM-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](C)C(=O)c1ccccc1	2307801606	OEOIDZZQQBEKSE-UONOGXRCSA-N	232.367	4.722	0	10	BJAE	
CCC[C@H](CC)CC1(CN[C@@H](C)CC)CCC1	2307837092	FBQXHAVYVVGLHN-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)[C@@]12CCC[C@@H]1C2	2308164570	XQBPNDADOFANHF-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2C[C@@H]3CCC[C@@H]32)CC1	2308384816	ACFHPVLNJRYLAQ-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)C1CCCCC1	2308616933	FEFHAHMQMNCDKL-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@H]1CC[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313348520	IAORXKGJSXURES-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316875708	XPARAFAXLWGLGW-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316885052	OFEANQOHNOFLIL-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1[C@H](N[C@@H]2CCCC23CCCCC3)CC1(C)C	2318174845	IEUYBVAEFLXSOT-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(N)(CCCC2=CCCCC2)CC1	2318574914	AWAQTHAIHMHMLV-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)CC1(C)CC2(CCC2)C1	2318938042	GIPIXSUTWYSLNN-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(OCC[C@@H]2CC[C@H]2C2CC2)c1C	2319746857	AQRLILMZLUHSMZ-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2cc(F)ccc2C)CC1	2320414289	XIAXWZUXZNXZJF-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
CC(C)c1cccc(CN(C)C2(C)CCCC2)c1	2320633782	SIXHRCAERLMEGI-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CC1=C(C)[C@@](N)(CC[C@@H]2CCC(C)(C)C2)CCC1	2321610388	GTOLUJMVXHCZPL-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC(C)c1cccc(NCCC2CCCC2)c1F	2327778483	QCGUJHDPVZOOBL-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cccc(C2CC2)c1	2328278306	PNTWMEVDPWPDTD-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
Cc1ccc(NC2[C@@H](C)CCC[C@@H]2C)c(C)c1	20023267	DNUUDTWIXSEGOT-STQMWFEESA-N	231.383	4.540	0	10	BJAE	
Cc1ccc(N[C@H](C)c2ccccc2)c(Cl)c1	20303392	WZCHOBWNEJHULW-GFCCVEGCSA-N	245.753	4.822	0	10	BJAE	
CCCC(=O)c1ccc(C(C)C)cc1C(C)C	34976583	QKBWCEACHWSQOZ-UHFFFAOYSA-N	232.367	4.916	0	10	BJAE	
CCCc1ccccc1N[C@H](C)c1ccccc1	36974688	KNBJIRHDSGWEBG-CQSZACIVSA-N	239.362	4.812	0	10	BJAE	
CCc1ccc([C@H](C)Nc2cccc(F)c2)s1	41202481	WBIWDYIQRKCLCW-JTQLQIEISA-N	249.354	4.623	0	10	BJAE	
CCC[C@@H](N[C@@H](C)CC(C)C)c1cccs1	49541006	IJYROHLPLLAYLV-QWHCGFSZSA-N	239.428	4.614	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CCC(=O)C(C)(C)C	70740076	BEVRMTMPTBPGKL-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccccc2SC)C1	71109585	HASHHUVYPWAEFA-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NC1CCC(C)(C)CC1	79676696	WKROFXPGESDFGV-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCCC(C)(C)C1	79982407	WJIZKTVLBCLGHE-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCCC(C)(C)CC1	83435735	CVQMBFMGFTWEIM-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](CC)COc1cccc(C)c1	85150355	PCHYOWFSHMXMQA-AWEZNQCLSA-N	220.356	4.590	0	10	BJAE	
C[C@H](N[C@H]1CCCC(C)(C)CC1)c1ccccc1	86893337	HOAQMLFZLNDUGO-HOCLYGCPSA-N	245.410	4.696	0	10	BJAE	
CCCCC[C@@]1(O)CCCC[C@@H]1c1ccccc1	87164366	LQCFRBYJPLYLCQ-IAGOWNOFSA-N	246.394	4.656	0	10	BJAE	
CCCC[C@H](NC(C)C)c1ccc(CCC)cc1	93074194	PRJBMEHKMHTFGF-KRWDZBQOSA-N	247.426	4.868	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@@H](N)CC2(C)C	94270308	CXIZKYPKAXPSAI-HNNXBMFYSA-N	245.410	4.615	0	10	BJAE	
CCCCCC(C)(C)CNC1CCC(C)CC1	94985197	FMRGMWXIVLABGL-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC1=CC[C@H]2C(=C1)[C@H](C(C)C)CC[C@@H]2C	95628034	JOCWPECWTZZSSX-MELADBBJSA-N	204.357	4.581	0	10	BJAE	biogenic,in-vitro
CC(C)c1ccccc1Oc1cccc(Cl)n1	110546768	NYKXWAOGGSJBKD-UHFFFAOYSA-N	247.725	4.651	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)C2CCCC2)c(C)c1	112392346	KJGOBFJLOYULSX-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@H](CC2CCCCC2)C1	112870852	GVUHKBJRKUKHLA-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCc1ccc([C@H](C)N[C@H](C)C(C)(C)C)cc1	122500597	YPBQYWNCOTUYIF-UONOGXRCSA-N	247.426	4.724	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@H](CCC(C)(C)C)C1	132132678	QMXNIFSDABNIQO-KFWWJZLASA-N	239.447	4.604	0	10	BJAE	
O[C@H](c1ccc(C2CCC2)cc1)C1CCCCC1	132862115	IOGMJVOQCXTXRQ-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CC(C)(C)c1ccc(C(F)(F)F)c(Cl)c1	144330512	IMJXFTPLBPTQMZ-UHFFFAOYSA-N	236.664	4.656	0	10	BJAE	
CCNC[C@H]1CCCCC[C@@H]1CCC(C)(C)C	155780927	ZEOHMKIHRUQHSG-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@@H]1CCC[C@H](CC)C1	169100089	SFCVLGZPMIKLEO-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)c1nc2c([nH]1)C[C@H](CC)CC2	216978836	OTUCRJHCKNXCNI-CHWSQXEVSA-N	248.414	4.608	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](O)c2ccc(C)c(C)c2)C1	226984093	IDMDVOYUMUOARC-ZMSDIMECSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC[C@@H](N)c2ccccc2)C1	227161371	RYZLLURHAGYQLN-BFYDXBDKSA-N	245.410	4.683	0	10	BJAE	
Cc1c(Cl)n(C(C)C)c2cc(Cl)ccc12	257973281	ODEWYNFBCJHTCW-UHFFFAOYSA-N	242.149	4.837	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC(C)C)C(CC)CC	305921883	IAMKCBJFFBUDHI-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)CC1CCCCCC1	305969245	PPXOGEUHFKLSBJ-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@H](CC)CC(C)C)C1	308105263	VAUQOSNZEVKCTH-LVQVYYBASA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(N)CCCCCCC1	310210419	GIBXVOHRGHZNGI-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCC(=O)C1)C1CCCCC1	310336313	MVUFBTLPPXJJOE-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)CC1(C)CCCC1	310473940	BHPLVIRSEDEYCO-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)c([C@H](O)CC2(C)CCCC2)cc1C	311192911	FDUQJWGADFKYAX-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@@H]1CCCC12CCCCC2	313022407	TZEBEQLTYOFHMB-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@@]1(CCC(C)C)CCC[C@@H](C)C1	317174041	LWLHVYUCXMFUJJ-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC([C@H](N)[C@H](C)[C@@H](C)CC)CC1	319528941	FBRZTHHWDCADQY-AOTHYSKPSA-N	239.447	4.602	0	10	BJAE	
C/C(=C/c1ccc(C)c(Cl)c1)[C@H](C)Cl	379518119	AKAVCEQCKURUCP-MBACFSSFSA-N	229.150	4.679	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@@H](C)C1CCCCC1	379945614	YVVUJAMUJKZMAM-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@H](C)C[C@H]1C	383276696	ZVTOTBOREQCMIH-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCCOc1ccc2[nH]ccc2c1	383291569	QZCZVNLPTZIZMP-UHFFFAOYSA-N	245.366	4.763	0	10	BJAE	
CN[C@H]1CCCCC[C@@H]1CCCCCC(C)C	383397763	QTNOMGINNUMCKP-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@@H]1CCC[C@@H](C)C1	383621462	VHBFAALANTVFCI-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@]1(C[C@H](C)C2CCCCC2)CCCN1	383678402	QCEGIWXVXOSLLN-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H]1CCC[C@@H](C)C1	384481926	YWFRJAHIIQZGJT-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
Cc1cscc1N[C@H]1C[C@@H](C)CC(C)(C)C1	387312153	LJDQFLWNYHOLPG-PWSUYJOCSA-N	237.412	4.683	0	10	BJAE	
CC[C@](O)(C[C@@H]1CCC[C@H](C)C1)C1CCCC1	387506108	DMLIPOSLQUTMAG-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCC[C@@H](C3CC3)C2)CC1	394142040	WHGOZMAHZNFPJT-MMADZMRASA-N	249.442	4.501	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1cc(C)ccc1C	395122659	LVEIVANCRSKUBA-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CCc1cc(F)c2c(C(F)(F)F)csc2c1	396306206	XHMARXCIGNIEDM-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@H](C)C2CCC2)cc1	398747159	OZTLUPLPHBTPSK-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1	403358693	XKOUOLSUGKEBMJ-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)c1cccc(C2CCC2)c1)C1CCC1	692791251	CDXSUNGDKQKIQU-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
CC(C)=CCCC(=O)C[C@H](C)CC(C)(C)C	697830228	WVNVSJQSHGAXOP-ZDUSSCGKSA-N	224.388	4.764	0	10	BJAE	
CCCCCC[C@@H](NCCC)C(C)(C)C(F)F	698493905	IQZMOROSCVBZHW-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCN[C@H](C1=CCCC1)[C@@]1(C)CC[C@H](C)C1(C)C	699011363	IZKHRUFPRWCPFA-YSVLISHTSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)C(C)(CC)CC	701257089	KNWQFHKYCUFOFS-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@]1(CCCC1CCC1)CNC1CC1	701575604	CCOKYSZKKYMTBI-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@]1(N)CCCCC12CCCC2	704474292	MOYKRRNHFBGLJI-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)c1ccsc1Cl	704567662	KDGCTUITXAGTEC-SCZZXKLOSA-N	246.803	4.507	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1C[C@@H](C)CC(C)(C)C	709099048	ATTMRPNKCFEMRL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)CSC(C)(C)C)CC(C)(C)C	709272521	LKEJVMPADSXRAO-NSHDSACASA-N	244.444	4.550	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(F)c(CC)c1	709652201	JOUOGVHWMAPPMC-LBPRGKRZSA-N	237.362	4.769	0	10	BJAE	
Cc1cc(N[C@@H](C)c2ccc(C)c(F)c2)cs1	710729812	TXYHYIDEYHCPNL-NSHDSACASA-N	249.354	4.677	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H](C2CCCC2)C2CCC2)C1	711832683	OVIQXGZOZCWXLU-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccc(N[C@H]2C[C@@H]3CCCC[C@@H]32)cc1	712409426	OMBCOAIQWRNCDJ-XIRDDKMYSA-N	243.394	4.630	0	10	BJAE	
Cc1ccc(Cl)cc1NCC(C)(C)C(C)C	713128980	IPWNIHIBKAYZHL-UHFFFAOYSA-N	239.790	4.743	0	10	BJAE	
CCC(C)(C)CC(=O)C12CC3CC(CC(C3)C1)C2	713368772	MQRMBJACBRJATH-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@@H]1CC[C@H]2C[C@H]12	716985300	HXBVRFQQZHMZLN-RZLSGREXSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@H]1CCC12CCCC2	717502213	NGCKJFCCPOQINT-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CCCC12CCCC2	718739326	CUBJREOAGIHPBD-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)NC[C@@]1(C2CCC2)CCC=CCCC1	719056058	KAPVOPWQENSSMB-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H](CC1CC(C)(C)C1)NCC	723568258	NYBZFKHSKJRQDX-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCc1cscc1NCCC[C@H]1CC1(C)C	1902380900	HNIZYMQOZOPVQB-LBPRGKRZSA-N	237.412	4.549	0	10	BJAE	
CCc1cscc1N[C@H]1CCC[C@@H]1C(C)C	1902381286	LNDWNPAUZNFLLW-OLZOCXBDSA-N	237.412	4.547	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C(CC)(CC)CC	1905433279	GFBWANHFJBEPMB-ZIAGYGMSSA-N	227.436	4.747	0	10	BJAE	
C[C@@H]1CC[C@H]([C@]2(N)CCC3(CCCC3)C2)C[C@H]1C	1916438851	QORCDJWNBYWIFZ-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H]1CC2CCC1CC2	1919511898	VRKZRYFGTFOTFL-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)C[C@](O)(c1ccccc1)C(C)C	1919886423	SFNUALQQGYTAIA-QGZVFWFLSA-N	248.410	4.603	0	10	BJAE	
CC[C@@](O)(c1ccc(C)cc1)[C@H](C)CCC(C)C	1919892606	IEUHHSWETZNQSZ-WBVHZDCISA-N	248.410	4.665	0	10	BJAE	
CC[C@@H](C(=O)CC[C@H]1CC1(C)C)c1ccccc1	1921419062	KGYRLHVGEPCMII-LSDHHAIUSA-N	244.378	4.576	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC[C@@H]1CC1(C)C	1921570212	IXYCCEPGTLUIPW-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H](C)C1CCCCC1	1924086846	PLDUYQLEPMKUST-RDJZCZTQSA-N	249.442	4.703	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC[C@H]2C[C@@H]2C1)C1CCCCC1	1924134137	AGPINBKLDMOWET-XRGAULLZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2C=CCCCC2)C1	1925768878	MESNVSJIYWIORV-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CCC(C)(CC)[C@@H](C[C@H]1C=CCCCC1)NC	1925898992	SRGSHLAEAHUQQN-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@H]1CCCC[C@@H]1CC	1926371813	JNWNHWYRIXNGFS-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)c1c(C)csc1C)C(C)C	1936211524	YDHMAWKJIRFCQN-LBPRGKRZSA-N	238.396	4.620	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)C[C@@H](C)CC	1940884639	YUEDJNILDOSSDQ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C1(CNC(C)(C)C)CC(C)(C)C1	1941982326	QYAMEMSKVSIUMR-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)C1(C)CC(C)(C)C1	1941984870	ACPNJSWLPWJVEC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)C1CCC(C)(C)CC1	1942662495	NZUMTVPLSDEZPT-ZFWWWQNUSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CCC[C@@H]2C)c1	1944848554	GDODIEZHYGDEMI-ZFWWWQNUSA-N	231.383	4.658	0	10	BJAE	
CC[C@@H](C[C@H](O)C[C@@H]1CCC[C@H]1C)C(C)(C)C	1944851000	ZFNNHBPOMLXHOA-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCN[C@@H]1CCCCC12CCC2	1947878246	GHALLDOQCITZIR-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(F)(F)CCC(=O)[C@H]1CCCCC1(C)C	1948000236	FXPNVUVYUMGCPU-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CCC1=CCCCC1	1949042115	ALIYSLOWASPQBJ-HOTGVXAUSA-N	235.415	4.565	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@@H]1CCC[C@@H](C)CC1	1950924982	PDWYGCBZMPVIIM-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC=C[C@@H](C)Cc1ccc(OCCC)cc1C	1951308313	DSXVPWPJGGYDLT-CYBMUJFWSA-N	232.367	4.539	0	10	BJAE	
CC[C@@]1(C)C[C@H]1NC1CCC2(CCCCC2)CC1	1963195176	KRZLPEPOYPUZIP-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](NC[C@@H]2CCC=CCCC2)C1	1966015695	JGWJIHFUBCZNDY-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@H]2CCCCC23CCC3)C1	1966064033	FIPPJMRXKIYFEY-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)CN(C[C@H]1C=CCCC1)c1ccccc1	1966283087	MSKWUSPYENTDHD-INIZCTEOSA-N	243.394	4.505	0	10	BJAE	
CCc1ccc(N[C@@H](C)C(C(C)C)C(C)C)cc1	1968313899	MEEQIBSBGDKBIN-AWEZNQCLSA-N	247.426	4.978	0	10	BJAE	
Cc1cccc(F)c1NC[C@H]1CCCC2(CC2)C1	1969466297	ACPHMEHXFJEOHR-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CCC[C@@H](NCC(C)(CC)CC)c1ccccc1	1973316016	PICJCJIQQGYIKC-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CC[C@H](CN[C@@H](c1ccccc1)C(C)C)C(C)C	1973383069	BPNHJZPZXFRXPC-NVXWUHKLSA-N	247.426	4.656	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CCCCCC(C)C)N1	1987090492	PJWCPTWUDUZMKV-HUUCEWRRSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@@](O)(CC)CCCC1CCC1	1990097427	GXSSRFHBFKMUJD-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCCC1(CC(=O)C[C@H](C)C(C)(C)C)CC1	1990602571	WAXMUEJPIZYSJR-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@@H](C)CC(C)C	1990818754	XVIANUQOCHYTSU-LSDHHAIUSA-N	227.436	4.568	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H](C)C2CC2)CC1	1997116509	LDBAOQWTVVWONM-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
CCCCCc1ccc2ncc(C)c(Cl)c2c1	1997766504	NRIUDPNHHSTXPA-UHFFFAOYSA-N	247.769	4.929	0	10	BJAE	
CCC(C)(C)CCC1(CN)CC(C(C)(C)C)C1	1998234332	GZTWLHIIQFYSLX-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
O=C1CCCC[C@H](C[C@H]2CCC=CCCC2)C1	1999982846	FLBVQIZCNPGXGC-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
CC(C)CCCC(=O)c1cccc(C(C)C)c1	2000194130	XKDSGYWRBQTSHH-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
CCN[C@H](C1CCCC1)C1(C)CCCCCC1	2000371291	HEWAQZHZMWUZAO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)CC1CC=CC1	2000484259	RIDJBGFNNWLIFY-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCNCC(CC)(CC)CC[C@H]1CC1(C)C	2000499833	OBTMNSDAUSPPSL-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](CC)(CN)[C@@H]1C=CCCCCC1	2000502719	PRLANKOSWPYHBT-HZPDHXFCSA-N	237.431	4.668	0	10	BJAE	
CCC[C@@](C)(CNC)C[C@@H]1CCC=CCCC1	2000521517	VVCKCPSXYSGPSX-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)CCC2CCC2)C1	2002999512	URAUCXOLMGMTKD-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC1CCC2(CC1)CC2	2003190925	AAMMOKDDYQNVBF-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC)CCC1CCC2(CC1)CC2	2003210295	CRJHJLWIFHSHII-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CCCC2(CC2)C1)C(C)(C)C	2003219638	ALAIVGBPJJMZQX-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CC1CCC2(CC1)CC2	2003222090	UKZBKRXFEDJQMK-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H]1CCC2(CC2)C1	2003222880	ZTPWBTXYAXLVFL-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC)C[C@@H](CC(C)(C)C)C1	2006627861	NPOCIHCYASPXHD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)C1(C)CCC(C)(C)CC1	2007683650	SLTBTMKJFRMFPT-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(C=C2CCCC2)CC1	2007963900	OJWWBOAHZQSCTN-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H](C)CC(C)(C)C	2009633729	BMPXJBUKWQYCKE-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCCC1CC(N[C@H](C)CC2CCCCC2)C1	2009714552	RJGLOSJINWLEET-IUDNXUCKSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)C1=CC[C@H](CC)CC1	2010721097	ZAHOHOXUMBMBCU-DZKIICNBSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C(=O)CC[C@]23CCC[C@H]2C3)c(C)s1	2011015729	IRKAPXPUNLWNSE-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
Cc1ccc(Cl)c(NCC2CC(=C3CC3)C2)c1	2011083832	VCTKWNHGMKNJAD-UHFFFAOYSA-N	247.769	4.561	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)CCC1CCCCC1	2014885380	PVZSSYKYEOYTIX-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(CC[C@@H](O)CCC1CCC1)C(C)C	2015337279	XSMVOYCSZYJDON-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)CC(=O)C1CC2(CCCCC2)C1	2015373645	CSUDNSLEQWHJPF-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)CC(=O)C1(C)CCC(C)(C)CC1	2015389333	UOQXFBHMTLCUII-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CC(C)C(CC=CCCNC(C)(C)C)C(C)C	2015412894	QRSYLZMLOAIYKV-UHFFFAOYSA-N	239.447	4.639	0	10	BJAE	
CCCC1(C[C@H](O)CC[C@@H]2CC2(C)C)CCC1	2015632409	CMVADOSTEPWPPT-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(=O)C(C)(C)C1CCCCC1	2016445685	IMSMONDDELVPSM-BLLLJJGKSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C[C@@H]1C[C@@H]1CC	2016851553	IZUHXPYRHBRRJE-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)CNC1(C(C)(C)C)CCC1	2017102371	IDSGFLYVBSIMGB-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CC1(C(C)(C)C)CCC1	2017113859	FXTDVKGNWNZBBY-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC12CCC(CC1)CC2	2017695649	QPCWUOAXNQNZHB-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](C)(CNC)CC1CCC(CC)CC1	2017726260	YADKJXIFIVBYHU-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](C[C@H]2CC[C@H](C)CC2)C1	2017773863	GTRHGKQLMSTTQS-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](COc2ccc(C)cc2)CC1	2017775714	FSNTTZDIVFICHA-SHTZXODSSA-N	232.367	4.590	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C[C@@H](C)C2CC2)CC1	2019696680	GLQHJTMSUYITKZ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCC(C)(C)[C@H]1O	2020406312	SMYGJGAIXUTOJL-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC1(CN[C@@]2(C)CCC2(C)C)CCCCCC1	2020586403	XJYGHQFKMRZOKY-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCCC1(C)CC1	2023322143	LSRDPXGXXPZCCZ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)CCC(C)(C)C2)C1	2024095158	PLPYGCQGLDMFGE-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC[C@@H](C)C(F)F	2026170514	QEPOPXYEQKTREK-YNEHKIRRSA-N	249.389	4.602	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCC)C1CCCC1	2026170794	SLHJYZXYQDBTPH-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCNC[C@]1(CC2(C)CCCCC2)CC=CCC1	2027303286	CXQVBONWSBOFBW-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1CC(CC(=O)c2ccccc2C(C)(C)C)C1	2027589791	BSMYJXMLVFXDCZ-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
CC1(C)C[C@H]1CCCn1ccc2c(F)cccc21	2027833879	RPHWHZICXIGEOO-GFCCVEGCSA-N	245.341	4.607	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)c1cccc(C2CC2)c1	2028558021	SLAZFSNDHIBGMU-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CN[C@H](c1cccc(C2CC2)c1)[C@H](C)CC(C)C	2028558586	YBLRVXNGNSNSDA-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)c1cccc(C2CC2)c1	2028561988	GBCIFPBTHNKTJO-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCCCCCC(=O)c1ccc(C2(C)CC2)cc1	2028589555	AMXXNYCDRSYOMH-UHFFFAOYSA-N	244.378	4.891	0	10	BJAE	
Cc1ccc(C)c([C@](C)(N)[C@@H](C)CCC(C)C)c1	2029822680	FBXDDVYSDFGHHN-DOTOQJQBSA-N	247.426	4.550	0	10	BJAE	
CCCC[C@H](N[C@H]1C=CCCC1)c1ccccc1	2030355765	BGURTLNTOVPGJT-IRXDYDNUSA-N	243.394	4.616	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CC[C@H]1C1CCCCCC1	2031754001	FYUZJRQTAAVMEA-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc2c(c1)CCC2	2035419792	DBBRSUVZJFBDTL-YOEHRIQHSA-N	243.394	4.556	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@@H](N)CC2CCC(C)CC2)C1	2037040072	DVXWUZOZOXFAMU-XMVAWCSOSA-N	249.442	4.523	0	10	BJAE	
CC1CCC([C@@H](C)NC2CC3(CCCC3)C2)CC1	2040637764	FMIHQLITTFOGDP-SHARSMKWSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)c2ccc(C)cc2)CC1	2041383064	LFVUTLGTNBVMSP-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
CC1(C[C@@]2(CNC(C)(C)C)CC=CCC2)CCC1	2042092321	USPZAPJBAWWPOF-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H](C)C1)[C@H]1C=CCCC1	2043188378	STVPAADQMFZNKC-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1([C@@H]2CCCC(C)(C)C2)CC=CC1	2045503136	ACJURTYWEIKSEJ-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@@H]([C@]2(CN)CCCC23CCC3)C1	2045518159	ZEDRBGZFCQEQFL-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CC[C@H](C)C2)cc1C	2045562309	RJHWRCGBKNPBBT-XHDPSFHLSA-N	244.378	4.621	0	10	BJAE	
C(CCNC[C@H]1CC12CCCCC2)CCC1CC1	2047088515	PXEMWNKDJWXSRN-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CCC23CCC3)CCCCC1	2047934062	YPZLMJXJJBTUAL-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
C[C@H](NC[C@@H]1CCC12CCC2)C1(C)CCCCC1	2047958626	KGDFGWWIIVCMFY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H]1[C@H]2CCCCC[C@H]21	2048373394	BPQXEWULXRDIDO-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)C1CC(C(C)(C)C)C1	2048621667	OMFJNQIDBNFIAE-XSCHDIRWSA-N	248.410	4.620	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CCC3(CC3)C2)CC1	2049848200	HSKQTKSBBUZFBC-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2CCCC3(CC3)C2)C1	2049862688	YJQJKJHACSYYCQ-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1CC(CC2CC2)C1	2050219158	IGOWATFIZZQXDL-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCC1CCCC1)c1cccc(C)c1	2050441711	PHJKYJAWDISFMY-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
Cc1ccc([C@@H](O)CCCC2CCCCC2)cc1	2050441881	QSYVWZVVFMQGGU-KRWDZBQOSA-N	246.394	4.779	0	10	BJAE	
C[C@@H](CC(=O)C1(C2CCC2)CC1)C1CCCCC1	2051904057	AIAMOFAFUXOUIE-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@@H](N)C1(C2CCC2)CC1)C1CCCCC1	2051909138	ATIJEUSBCGDOGI-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
NC[C@@]1(CCC2CCCC2)CCCCC12CCC2	2053420817	NCAXKNCLXIQACP-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
NC1CCC2(CC1)CC(=CCC1CCCCC1)C2	2056618622	JCNNBOUAGWGBPV-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)C1(C)CCCCC1	2056885205	XOSHWJYHQZWJRQ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CC1=CC[C@@H](C)CC1)CC1CCCCC1	2060931479	ZXCQHOVIZMNXLI-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@H](N)C1=CC[C@H](C(C)(C)C)CC1)C1CC1	2061088493	NGMVBZPKPMQGIB-KCXAZCMYSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CC[C@@]12CCC[C@H]1C2)C1(CC)CC1	2061570121	BPNCMRITUWDERE-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(CCC2CC(=C3CCC3)C2)C[C@H](C)O1	2061723417	REMIDDAKUJVLHS-STQMWFEESA-N	248.410	4.861	0	10	BJAE	
CCC1(CN[C@H]2CCCCCC23CC3)CCCC1	2062017189	MZWIHYWXEONRSO-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCCC23CC3)c(C)c1	2062018293	RGXZZCYERWARTN-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
CC1(C)CC(CCN[C@H]2CCCCCC23CC3)C1	2062024091	ROAKUIOIXNYZSR-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2C[C@H](N)CC3(CCC3)C2)C1	2063638343	GWQATIFFQWJWQY-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@@H]2C1	2068800934	MJCNZJSKMOJSLB-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC(C)Cc1ccccc1[C@H](O)C[C@@H](C)C(C)C	2068837106	PPTZZJOLYAUBRJ-RHSMWYFYSA-N	248.410	4.601	0	10	BJAE	
CCCC1(CN2CCCC[C@H]2C2CCC2)CCC1	2069268443	RBICZYNOULMDRK-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCC[C@@H]2C2CC2)CCC1	2069344786	OCXAABWOBDPQSA-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC1(C(C)(C)C)CCC1)[C@@H]1CC=CCC1	2071944999	CCXGRSCHRSXIAH-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c(NCC2(C(C)(C)C)CCC2)c1	2071950836	QIYMWSOVZUWCDM-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1C)C1=CCC(C)(C)CC1	2072091938	AJWCDUNKASOJTA-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@@]23CCCC[C@H]2C3)CC1	2074024787	KFHNJGWSXJCNRP-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
NC1(C[C@@]23CCCC[C@@H]2C3)CCCCCCCC1	2074032894	HZVZBJYPTRGLAC-CVEARBPZSA-N	249.442	4.789	0	10	BJAE	
CCCC1(C[C@H](O)c2ccccc2C(C)C)CC1	2074611142	GBMOXJQDSSFBMF-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCCC1(C[C@]2(N)C[C@@H]3CCCC[C@]3(C)C2)CC1	2074629537	PUPLTWVXCMGGFC-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(CN(C)C2CCCCCCCC2)o1	2075123977	JQMMOWMJHSZYBH-UHFFFAOYSA-N	249.398	4.523	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCCCC2)CCC1(C)C	2075365056	KEGYPQSCKLZFEA-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](NCC)[C@@]1(C)C=CCCC1	2079641073	FMEPGQVQALGPLE-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1C[C@H]1c1ccccc1	2079852449	QMACQYBYRWMPIY-WBVHZDCISA-N	244.378	4.576	0	10	BJAE	
CCNC[C@@]1(CC=C2CCC2)CCC[C@@H](CC)C1	2081684958	ZEDVSXAKVBJTBC-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
Cc1cc(C)c2cc([C@@]34CCCC[C@@H]3C4)[nH]c2c1	2083309988	SZCSJRCUFZIUFV-CXAGYDPISA-N	239.362	4.616	0	10	BJAE	
CC[C@@H]1CC[C@@H](N(C)[C@@H]2CCC3(CCCC3)C2)C1	2085279124	FMGYSBDJMCYQPZ-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1scc(C)c1C	2210572225	NHRROWKUNAMJEX-GFCCVEGCSA-N	239.428	4.581	0	10	BJAE	
C[C@H]1CC[C@](C)(NCCCCCCC2CC2)C1	2213577172	YXVVVXISAPLEHL-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC[C@H]1C[C@H]1CC	2215245508	HZRSRJVGUTVUHP-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@H]1CCCC(C)(C)C1	2215334646	SXLCJWOEODNWAE-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@@H](N)CC1(C)CC(C)(C)C1)C(C)(C)C	2215384825	GSLBEHBHOSZJJZ-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC1(C)CC(C)(C)C1)c1ccc(N)cc1	2215394655	IHLIDWXTWLJGRS-LBPRGKRZSA-N	231.383	4.589	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@@]1(C)CC=C(C)CC1	2215809207	IJKUXSMCVALZAL-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C(CC)CC)[C@]1(C)CC=C(C)CC1	2215819502	WFASWWFBSNKVFI-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCC[C@H](C(C)(C)C)C1	2216255184	BWXVCOMHWPMZKU-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@H]1C)C(C)(C)CCC	2216277022	FGORFVBASOQYHN-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
O=C(CCCCCCC1CC1)CCCC(F)F	2216424509	MRLVQWJPUAKEMW-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCC1(C)CCC(O)(CCCCC(F)F)CC1	2216469317	VFKPTGHPIOLVKE-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@H](N)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216766732	ZENWTDWWVBZMBJ-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@](N)(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218355868	HEEZKACWSMFWAR-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
NC[C@]1(CCCCCCC2CC2)CCC12CCC2	2218720025	DTTYJRDDOCOAAV-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
CC(C)C(C(=O)C/C=C/c1ccccc1)C(C)C	2219090428	MANRDIQBZNNIIQ-DHZHZOJOSA-N	244.378	4.587	0	10	BJAE	
CN[C@@H](CCCCC1CC1)c1ccc(C)c(C)c1	2220031913	ZIOARCXAGBYIMV-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
N[C@H](CCCCC1CC1)c1ccc(C2CC2)cc1	2220044896	KYHFPLNZZRIQCQ-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C1(C)CC=CC1	2220047622	SKFGOXPXVXIOJQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C1CCCCCC1)[C@]1(C)CC=C(C)CC1	2221621030	CIDAOWWGKORLLO-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(CNC[C@H]2CC=C(C)CC2)CC1	2221627906	BYJZWTHRLIUVPQ-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@@]1(C)CC=C(C)CC1	2221642749	IWCKJNHWCLCNKG-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](CN[C@@H]2CCC(C)(C)C[C@H]2C)CC1	2221668728	QRCRJFSQZMEDFI-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@H](NCCCCCCCC1CC1)C1CC=CC1	2223173531	SBHWGHOVWAONCW-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cc(C(F)F)cs1	2244797703	SABULGBUTIPZHO-LDYMZIIASA-N	247.354	4.512	0	10	BJAE	
CCC(C)(C)CCNc1ccc(F)c(C)c1F	2246357735	CMOHENHFVUXFCT-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
CCC(CC)(CNC(C)C)CC1(C)CC(C)C1	2246531827	JLJUZTOBPWDONW-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CC[C@H]1CCC[C@H](C)C1	2246661469	AGLRYFPKWDPJJH-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CCCC[C@H]1C[C@@H]1C	2247177033	UABPNKGTKWZOHH-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC(C(C)(C)C)C(C)(C)C)C1	2247718090	MRRDASBSFDRMPK-CHWSQXEVSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)[C@H]1CCCN1	2250528843	OKPONNZKXVNWDZ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CC1CC2(CCCC2)C1	2254118184	DKYUUXLIVVBGPN-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CCNc2ccccc21	2254606969	RNXVGQHYNCIRGE-KFWWJZLASA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)[C@H]1CCCC2(CC2)C1	2254611950	SZCYYRTXOJAUME-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@@H]2CCC23CCC3)CC1	2255025299	PIQNZNXXNRQKLG-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(=O)CCCCC[C@@H]2C[C@@H]2C)c(C)o1	2257284970	WPGYECUOSULEFV-SMDDNHRTSA-N	248.366	4.686	0	10	BJAE	
CCc1ccnc(NC2CCCCCCCC2)c1	2257730894	BNGKWBISXATOAS-UHFFFAOYSA-N	246.398	4.559	0	10	BJAE	
Cc1cc(NC[C@H](F)C2CCCC2)cc(C)c1C	2258249203	UFZWBCIXEFNAFM-INIZCTEOSA-N	249.373	4.552	0	10	BJAE	
CC1CCC(C[C@H](N)[C@@]23CCCC[C@H]2CC3)CC1	2260499298	DJMCCHVXLRYKID-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@]23CCC[C@@H]2CC3)C1	2260522736	YEOJJNZVDAZXLI-HNLJFRNMSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@]23CCC[C@@H]2CC3)CC1	2260561026	JEZXDQKGMMAKHC-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)C2(C)CC=CC2)C1	2261246406	GXQBWTUVRXBIPV-UHFFFAOYSA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)C[C@@H]2CC23CC3)C1	2261247251	AWOAFWHUVWMBRM-JXQTWKCFSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@H]1C[C@@H]1C(C)(C)C	2300501133	JZYLTRHMTQQSPO-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@]1(CO)CCCC12CCC2	2300688684	PGVPNNFZOXSRKL-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C(CC)(CC)CC	2300876915	LNKUHURUWHVMPY-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CCC[C@H](C(C)C)CC1	2300899617	QBIBHIXJCABJIC-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CC[C@@](C)(N)C1CCC(CC)CC1	2300910249	XSICSCMGYMLSCY-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@H]1CC=C(C)CC	2300927745	YCIMWXTWSNEUPR-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CC1CCCCCC1	2301146533	ZTVGDEILUHIWTC-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC1(C)CCC(N[C@H](C)[C@@H](C)C(C)C)CC1	2301715535	XIJAOIRIVSHWOW-QRNKSROTSA-N	239.447	4.616	0	10	BJAE	
CC(C)=CCCN(C)CCCC1=CCCCC1	2302341884	BDHXICQFDRUTBU-UHFFFAOYSA-N	235.415	4.555	0	10	BJAE	
CC1(C)CC[C@H](CC(C)(C)CNC(C)(C)C)C1	2302710993	VECZXOIQYFLVQM-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCc1cscc1NC[C@@H]1CCC=CCCC1	2302893409	VCQMKUFFMPMOFG-CYBMUJFWSA-N	249.423	4.859	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@H]1CCC(C)(C)C1)C(C)(C)C	2302900391	DHYWHVDJAJBWLB-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@](C)(N)CC2CCCC2)C1	2302900632	FAIUGXSIZGFRFD-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CC2CCCC2)CC1	2303602878	YDPUCJZLZOJMAN-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)c2ccsc2C)CC1	2303602931	YTMUPOHGECVHMP-ZDUSSCGKSA-N	248.391	4.766	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CC[C@H]2C[C@H]2C)CC1	2303602951	ZBGLZWSKBXVVPW-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C2(C)CC=CC2)C1	2304433331	AWMPYDOQAOIGLA-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CN[C@H](CC=C(C)C)CC[C@H]1CCC(C)(C)C1	2304433430	BTXLUAZLJORHNE-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N)(C[C@H](CC)CCC)C1	2307818781	DZTVHUAVCJRLFU-QQFBHYJXSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCC[C@@H]2CC[C@@H]21)C1CCCC1	2309524487	FUUWHYSLGDWKPA-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2CCC[C@@H]3C[C@H]23)CC1	2311021611	XAXVBWNWTXGGBF-NCOXYXGASA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C[C@@H]2C[C@H]2C2CCCC2)C1	2311572078	XWUBSGILWGYTAC-HJWJTTGWSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC[C@@]23CCC[C@@H]2C3)CC1	2312523908	UEJRAPSZDYMFHI-DJIMGWMZSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)c1ccoc1	2315882547	FYLLIXPCPATKRK-CYBMUJFWSA-N	243.350	4.885	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc(F)cc1C1CC1	2317099201	KCENRJXSMKHBLF-UHFFFAOYSA-N	248.341	4.712	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317143355	NVHMEOSHDMMQQI-KLHDSHLOSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1cccc2ccccc12	2317821528	WDGDEZCMHZPUSH-ZIAGYGMSSA-N	241.378	4.932	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@@H]1C1CC1	2317933757	JVGMZRRZHRJVKL-HUUCEWRRSA-N	247.357	4.550	0	10	BJAE	
CC1(C)CCC[C@@H]1CNCCCC1=CCCCC1	2318539271	GDTWUNXSLFMMEA-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)CCCC1=CCCCC1	2318551699	RIRZFOKAPOLMKA-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCCC2=CCCCC2)[C@@H]1C	2318566369	WVSBLLQUZOFCHN-INMHGKMJSA-N	249.442	4.811	0	10	BJAE	
CC(C)=C(C)CCN(C)CCCC1=CCCCC1	2318572650	HYXUPJYHESYHKK-UHFFFAOYSA-N	249.442	4.945	0	10	BJAE	
N[C@H](CCCCC1CC1)CC1C[C@@H]2CCC[C@H]2C1	2318873162	AVHMCJNBAXLBHQ-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)(C)C1)[C@@H]1CC=CCC1	2319327190	UJVRJHKPNBOPHH-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)C[C@H](C)CCC1=C(C)C	2320453987	LFYPXKOCIMPERP-ANQUJSFKSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)CN(C)Cc1cccc(C(C)C)c1	2320639991	WJNQICAQBOPDER-UHFFFAOYSA-N	247.426	4.678	0	10	BJAE	
CCc1cc(N[C@H](CC2CC2)C2CC2)ccc1C	2320697942	RRLUUBCWNSHVDH-QGZVFWFLSA-N	243.394	4.548	0	10	BJAE	
CCCN[C@H](C)c1ccccc1C1CC(C)(C)C1	2321031096	XEXMEXQQEMGRSN-CYBMUJFWSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(C)N[C@@H](C)c1ccc(CC(C)C)cc1	19233135	IRTBCWYZFFNQHI-AWEZNQCLSA-N	247.426	4.724	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)c2cc(C)oc2C)c1	20438449	DELCIGOHAQIDKJ-CYBMUJFWSA-N	243.350	4.686	0	10	BJAE	
CC(C)c1ccc([C@]2(O)CCCC(C)(C)C2)cc1	79982695	CGIVQKRLFIPZBY-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@H](C3CC3)C2)cc1	81624192	CLTBHSUUGBAPMK-DOTOQJQBSA-N	243.394	4.630	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](C)CNCCC	82763865	CUPJCRQCKQNMIO-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CC(C)C[C@H](N[C@H]1CC[C@H](C)C1)c1ccccc1	83828871	GCWCGLRZHMHQDM-XIRDDKMYSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc([C@@H](N)C2CCCCCCC2)c(C)c1	86578817	AYVRVPZHYYTPOW-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCCC(C)(C)CC2)o1	86899631	QIHHDASFJFLYRZ-UONOGXRCSA-N	249.398	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](Oc2cc(C)cc(C)c2)C1	87439753	APHMPHSSXUFTLK-LSDHHAIUSA-N	232.367	4.651	0	10	BJAE	
CCC(CC)C(=O)c1ccc(C(C)(C)CC)cc1	90482305	DBCAIURSJZJAET-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CCCC[C@H](CC)CNc1cc(C)cc(F)c1	91513789	JURXLWILQBGCNH-ZDUSSCGKSA-N	237.362	4.762	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CCc1ccccc1	109728776	KKUHOUOTYRGHCD-RDJZCZTQSA-N	247.426	4.553	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCC[C@H](C)C2)c(C)c1	109899313	SXIAIZKEMPXHTN-NHYWBVRUSA-N	231.383	4.602	0	10	BJAE	
CCC(CC)Nc1ccc(C)c(C(F)(F)F)c1	109940443	HLDYBBIDKKAQNG-UHFFFAOYSA-N	245.288	4.614	0	10	BJAE	
CCC1CCC([C@@H](C)C(=O)c2ccccc2)CC1	128205284	ZXUJPPIRACJESO-WLYUNCDWSA-N	244.378	4.722	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H]1C[C@@H]1c1ccccc1	128344317	XVMZZNWOUOKQJJ-IMJJTQAJSA-N	244.378	4.576	0	10	BJAE	
CCC(CC)[C@@H](NC)c1ccc(C2CCC2)cc1	128808372	QGBOTEMNWPXCOZ-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1ccccc1C1CCC1	132603310	OIAQMSSSLACOFW-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CC(C)(C)C[C@H](CNC(C)(C)C)c1ccccc1	155731985	UBBGWMJYFNGBSH-OAHLLOKOSA-N	247.426	4.595	0	10	BJAE	
C[C@@H]1CC[C@@H](NC2CCCCC2)c2ccccc21	163659834	UQVQJSLVRAVOAX-CXAGYDPISA-N	243.394	4.547	0	10	BJAE	
C[C@@H](CC(=O)C1CCCCC1)CC(C)(C)C	167734538	NDONVEREGMOZJK-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)CC1(O)C[C@H](C)C[C@@H](C)C1	219801764	HIHWMLJDKRMNPV-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC)CCC1C[C@H](C)C[C@@H](C)C1	220382808	WKHUVENDABEXFU-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1cc2ccccc2s1	229269866	VRNNEZZCAUMREC-DGCLKSJQSA-N	248.391	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)c1cc(C)cc(C)c1	229327707	NFWRUVIRTIRROB-PVAVHDDUSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCC1CC1)NCCC	229550993	QFHKTBAWTQZCEQ-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCC12CCCCC2	230178933	JQJOUGMJSBNRFN-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
CC(C)c1ccc(-c2cc(=S)cc[nH]2)cc1	232775705	LLBDHMDLVLNZMG-UHFFFAOYSA-N	229.348	4.535	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1ccc(Cl)cc1C	233274431	XOZSFBFGBQUENK-QMTHXVAHSA-N	240.774	4.508	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)C1(C)CCCCC1	233906990	ODZDJWWLOUWEDK-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H]1c1c[nH]c2ccc(Cl)cc12	235555553	GBJFMJJBTZUNMQ-GXSJLCMTSA-N	233.742	4.725	0	10	BJAE	
FC(F)(F)c1cc2cccc(Cl)c2s1	238587150	RAYXXCJEHILBHT-UHFFFAOYSA-N	236.645	4.574	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](CCCC(C)C)NC)C1	251580103	JLKCWCHALZRFGX-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@H]1CCC[C@@H](CC)C1	251589785	CPTRUWUTXYTNAQ-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]([C@@H]2CNc3ccccc32)CC(C)(C)C1	300243438	OCVUOFOTROYWLS-NFAWXSAZSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCCC(C)(C)C)C1	300863500	MHVCNJUYMHGAGQ-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CCC1CCCCC1	304132688	ZRNQEYINZSDZNI-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C(C1CC1)C1CC1	304633263	ZNWROIWRFGTZLU-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)c1cc2ccccc2o1	305903344	BUZXPZYCCOFSAV-OCCSQVGLSA-N	245.366	4.505	0	10	BJAE	
CCCCCC[C@]1(C)[C@H](CNC(C)C)C1(C)C	306063643	ZUPYFPHYNJEAOA-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](CNC(C)C)CC1(C)CCCC1	310564251	WVMUYIQGBVLDQT-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@H]1C=CCCCCC1)c1ccccc1	310613069	DGNLHSHUZZUFEA-IRXDYDNUSA-N	243.394	4.616	0	10	BJAE	
CCCN[C@@H](c1ccccc1C(C)C)[C@H](C)CC	310795371	CFBGFUQEJNLKKC-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
CC1(CNc2ccccc2C(C)(C)C)CCCC1	311224256	PBYVLHOGYWPQOE-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CC(C)(C)CCN[C@H]1CCCC12CCCCC2	313030382	IPFNQCDTXAVZMC-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](Nc1c(C)cccc1F)C1CCCC1	313416828	VSPPHSAZXIEKLK-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)C)CCCC[C@H]1C	317502941	MAVYYSNVXBTXNP-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H](C)[C@@H](C)CC	319652111	RPGZKHFEWJZQCU-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC/C=C\c1ccccc1	323665944	MXMZLRAGVMELGA-MRDWYFFCSA-N	246.394	4.667	0	10	BJAE	
CCC[C@H](CCCCC1CCCCC1)NCC	383129955	RRWPTRCCOQZPOS-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(CC)c(C)c1	383131955	UPLFVWXLXCIHMK-HNNXBMFYSA-N	233.399	4.938	0	10	BJAE	
Cc1ccccc1[C@H](CN)CCCCCC(C)C	383318325	XFGXUEBBEWRVGQ-INIZCTEOSA-N	247.426	4.644	0	10	BJAE	
CCCOc1cccc(N[C@H](C)CC(C)(C)C)c1	384651456	CBZMLMBGOCLGNN-CYBMUJFWSA-N	249.398	4.712	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H]1CCCC[C@H]1C	384689981	WRCKPBUAELMRMY-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CCCC(=O)C(C)(C)C)c1ccccc1	384849655	FNAMGNZZLNGLTJ-ZDUSSCGKSA-N	232.367	4.576	0	10	BJAE	
Cc1ccccc1C(=O)CC1CCC(C)(C)CC1	385295035	QLISZLMYOQCYPY-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CCN[C@@H](C[C@H](C)C1CCCCC1)c1ccoc1	386184490	JDCFTWJDZOWLIG-BBRMVZONSA-N	249.398	4.537	0	10	BJAE	
Cc1cc([C@@H](N)C[C@H](C)C2CCCCC2)c(C)o1	386197829	KUYDKGJEPAGJKB-ZBEGNZNMSA-N	249.398	4.503	0	10	BJAE	
CCN[C@@H](C[C@H](C)C1CCCCC1)c1ccco1	386571101	XMDNZCBHVZTPIC-ZFWWWQNUSA-N	249.398	4.537	0	10	BJAE	
CC[C@H](NCC(CC)(CC)CC)c1ccco1	391170524	YVAFEMFGDHJYPE-ZDUSSCGKSA-N	237.387	4.537	0	10	BJAE	
CCC[C@H](C)/C=C(\CNCC)C1CCCCC1	394082096	RFTJMWAVBOPVTN-AOHITCTBSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(F)cc1NCC1(C)CCCCCC1	394612459	BRCYIBAKVRQDLO-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@@H](C)C2CCC2)c2ccccc2N1	398666409	QJEDUWSPRJCQMS-UMVBOHGHSA-N	243.394	4.801	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	403454757	GVYQJWDIFZCWQO-NMSBFTQNSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@H](CC(C)(C)C1CC1)NCC	405709432	DNCAKJGZRWFUIZ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C[C@@H](N)CCC1CCCCC1)C1CC1	405723768	IZGWIIVQHDBMGC-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CNc2ccccc2SC)CCC1	687529897	RGXAYFJFAJICOS-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CCCC[C@@H]2C)c1	688971078	KCYJCHWNRJKYTQ-XJKSGUPXSA-N	244.378	4.819	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1Nc1ccc2c(c1)CCC2	691131426	AHRRVRNEIRWECH-CXAGYDPISA-N	243.394	4.556	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1cc(C)ccc1F	691134140	GCDHSVQYSBGFRR-HIFRSBDPSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](C)c1ccccc1	691134583	KNQGTSUGQFAAMI-INMHGKMJSA-N	245.410	4.696	0	10	BJAE	
CCCc1ccccc1NCCC(C)(C)CC	696785496	ZMBWTIXOKSMOAL-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](CCC(C)(C)CC)NC)C1	696802558	MEHGAARZHSZTCS-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H](C)C2CCCCC2)CC1	697570825	AYXUIDZYJNQMFV-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)CC2=CCCC2)C1(C)C	698987898	KWOHLXQKIHUFCU-MLGOLLRUSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](C)c1ccsc1CNC(C)(C)C	703183341	SZBHXALINQZQKF-LLVKDONJSA-N	239.428	4.540	0	10	BJAE	
CCc1cc(NCCCCC(C)C)ccc1F	703998095	LJQVEEJFCSOAJQ-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@]2(N)CCCC23CCCC3)C1	704447617	QBMLLWALNJEYRV-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(O)CCCC(C)(C)CC1	704797914	JAZRVXYWTOOYTJ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)NC[C@]1([C@H]2CCCC[C@H]2C)CC=CCC1	704836854	ZRNNNBIVQDPZHW-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H](C)CC(C)(C)C	709078725	KZLRZXPNJJHRLE-HIFRSBDPSA-N	227.436	4.747	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H](C)[C@@]12CCCC[C@@H]1C2	709155039	RUMSFRHRSCHFEG-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2CCC[C@H]3C[C@H]32)n1	709475385	GSGNYZJEKCFWLH-QJPTWQEYSA-N	249.423	4.734	0	10	BJAE	
CC[C@@H](CC(=O)CCC1CCC1)C(C)(C)C	711112954	IRYNKMSUABXGRY-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C[C@H](O)c1ccc(C)s1)C(C)(C)C	711210003	GUFHEBSHESZCRB-NEPJUHHUSA-N	240.412	4.552	0	10	BJAE	
CC1(C)CC[C@@H](N[C@H](C2CCCC2)C2CCC2)C1	711832685	OVIQXGZOZCWXLU-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(O)CCC1CCCC1	713034343	XRNRQYGGHHPGJL-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@H]1CCC[C@@H]1CNC(C)(C)C	713182064	FIAUFTHWACYOFC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(CC)(CC)CNC(C)C	713245359	UBTOACYKDRRZPK-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCNCC1(CC(C)(C)C)CCCCCCC1	713295065	DACNVJAMJOZARP-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCNCC1([C@H]2CCCC[C@@H]2C)CCC=CCC1	718103995	JTGSIRJYEFNXOA-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C(C)CCCc1ccc(F)cc1C	718785893	HFSRKNVPHAZXHX-UHFFFAOYSA-N	220.331	4.813	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)C[C@@H](C)C(C)(C)C	1645303131	HJILLNIMORFEMG-KFWWJZLASA-N	239.447	4.569	0	10	BJAE	
C[C@H]1CCC[C@H](CCSc2ccccc2)C1	1656053618	ICFVLXIOIGFUEE-UONOGXRCSA-N	234.408	4.995	0	10	BJAE	
C1CCCN(CCCC2CCCCC2)CCC1	1657597090	NXQOVCRYXWJOSB-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N(Cc1ccccc1)CC(C)C	1880413426	MYFYTZNBVRLVJD-HZPDHXFCSA-N	247.426	4.579	0	10	BJAE	
CCc1cc(-c2cccc3ccccc23)ccc1O	1890651336	PACXLNHMKOQUIP-UHFFFAOYSA-N	248.325	4.775	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C(C)(C)CC	1900694625	APTIARIBSNGCPR-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)CCC[C@@H](NC)C(C)(C)C	1905447174	VXPDPNSHYOPCNW-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@H]1CCCCCCC1=O	1910807173	DKJSPFUJOPMGKW-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(C[C@@H]2C=CCCCC2)c(Cl)c1	1925870153	PMQMIYLFOWIFDE-CYBMUJFWSA-N	234.770	4.937	0	10	BJAE	
CC1(CCNC[C@H]2C=CCCCC2)CCCCC1	1925910876	FAFBMCYXAYSXDK-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)CCCCCC(C)C	1936200084	YAUWZISLHZQOOZ-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@@H](CCCCC1CC1)NCCC	1939121830	FXPYYTLCXOWRGB-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](O)CC[C@H](C)C1CCCCC1	1939133973	KLSAONSDELDOFI-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)NCC(C)(C)C1CCCCC1	1940762287	HJTXBSXMJZAXBZ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C1CCC1)[C@H](O)CCCCCC1CC1	1941579649	QFOULEQVQSIZKE-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@]1(CCCCCC2CC2)CCCCCN1	1941587217	QGQZEEYJXYGVBY-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CCCC[C@@H](CC)NCCC1CCCCCC1	1941719707	DRNXHKKBTXIZHX-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
Cc1cccc(Cl)c1NCC1CCC=CCC1	1941821734	PXRRZKOJLCJOLW-UHFFFAOYSA-N	249.785	4.807	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)c1ccc2sccc2c1	1944666459	QWFHLPLQJQEXAC-AWEZNQCLSA-N	247.407	4.583	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2CCC[C@H]2C)cc1	1944849752	OSNKOLNJBLADAZ-HIFRSBDPSA-N	231.383	4.658	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@H]1CCC)C1CCC1	1947462001	MZHPNDXNEKHCEL-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)C[C@H](C)CC(C)(C)C	1947465824	WKFVGTCVDVFNMW-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)N[C@@H](C)CC1CCCC1	1948329229	ZAPUXRWJZFGMSZ-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CC2(CC)CCC2)C1	1948982202	LWYOSUQEEKFYDV-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC1(CC(=O)c2cc(Cl)cs2)CCCC1	1958190164	AHCLXLVLZIKPPJ-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC(C)(C)CCNCc1ccccc1C(C)(C)C	1964036671	YRUITODYYRUKBS-UHFFFAOYSA-N	247.426	4.510	0	10	BJAE	
C[C@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CCCC[C@@H]3C2)CC1	1966046941	YOBLBDFLTDXECE-FIDHJVLJSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(OCC2C[C@@H](C)C[C@H](C)C2)cc1	1968345881	GHKPBAZQPQUGFU-KBPBESRZSA-N	246.394	4.700	0	10	BJAE	
C[C@@H](N[C@H]1CC(C)(C)CC[C@H]1C)c1ccccc1	1969249965	PCUYZKGRVFRORE-FMKPAKJESA-N	245.410	4.552	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](CC)c1ccsc1	1970831826	ZRRJGYUSVMSMQV-KGLIPLIRSA-N	239.428	4.758	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CC[C@@H](C)C1	1975749457	OYHQBIFXBZRACE-MCIONIFRSA-N	224.388	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)c1csc(C)c1	1976010155	HTXJOBJJJWKZHP-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1CCC[C@H](C)C1	1978428163	HJVZHQRXYUYEDN-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](CCCCCC(C)C)N1	1987090490	PJWCPTWUDUZMKV-CABCVRRESA-N	225.420	4.514	0	10	BJAE	
CC(C)(C)CC(=O)C[C@@H]1CCCC(C)(C)C1	1994026359	PJGNCZSQBFCEKW-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)C1CCC(C)CC1	1996552699	COWGYRKQMVGCJT-AKJSJKFASA-N	239.447	4.616	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCCCCC1(C)C	1996615223	FFMUDQLBELUJPV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)C1CCCCCC1	1996617415	PNVVUSFMIXVUCZ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C)n1[C@H]1CCC[C@@H](C(C)C)CC1	1997198227	VFAPMQCUWHRNHJ-CVEARBPZSA-N	233.399	4.882	0	10	BJAE	
NC1(C[C@H]2CCC=CCCC2)CCCCCC1	1999991135	PCQYYGGLTKUOAD-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CCCC2(C)CC2)C1	2000188182	BJZRAPPJPHHHPY-GXTWGEPZSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C(CC)(CC)CC)C1	2000214653	GJHNIWYSRUDAAU-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)(CC)[C@@H](C[C@H]1CC=CCC1)NC	2000321949	RYPPDHVQPBBYBZ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)[C@H](C)CC(C)C	2000517234	ATQLGIPPKGKOLX-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNCC)[C@H]1C=CCCCCC1	2000521090	QZXBOCOYPGCOOW-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CC12CCCC2)NCC	2001211608	SRPYDNFFYYSJLM-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H]1[C@H]2CCCC[C@H]21	2002193578	VAZMQROTQWVACN-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCC/C=C/CN[C@H](C)C1CCC(CC)CC1	2002924728	KGHJPUFIKRGARF-RLMNIXQPSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C[C@](C)(N)[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	2003016712	QFVYLDHEJREJCK-CTASWTNQSA-N	239.447	4.602	0	10	BJAE	
NC1(CCC2CCCC2)CCCCCCCC1	2003101629	VCFBGIZZXYJSTR-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
Cc1ccsc1C(=O)C[C@H]1CCCC2(CC2)C1	2003287337	JLOXDRNHSSKBIJ-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CC(C)=C(C)CCCC(=O)c1ccccc1C	2003645184	FTXAOOACMBUYHY-UHFFFAOYSA-N	230.351	4.704	0	10	BJAE	
CCCCCN(C)C1CCC2(CCCC2)CC1	2004363502	UNVOJPOZGGBGHD-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@H]3CC[C@@H]32)c1Cl	2004797490	OEUYSOGFCRUDCF-RWMBFGLXSA-N	249.785	4.639	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)CCCCC12CC2	2005536964	QDGDCBDJPZTUOK-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@@]2(CN)CCCCC2(C)C)CCCC1	2005590157	SUPYBURYQGFJSO-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@H]1CCC[C@@H]1C	2006757913	GRVPZGWWQHABJK-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](Nc1ccc(CF)cc1)c1ccsc1	2007024650	LZCGRAUZCIDUEI-CQSZACIVSA-N	249.354	4.781	0	10	BJAE	
C[C@H](CC(=O)C1(C2CC2)CCCC1)C(C)(C)C	2008478027	SEMQREZMUKJVGP-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@]1(CC2CCC(CC)CC2)CCCN1	2009067687	REKHFRLTCHMZEG-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2C=CCCC2)CC1	2009403429	BYTLQLBPEFNQPQ-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCC2(CCCCC2)C1	2009576691	ISUWLFNMQHCEBI-WOMSROEHSA-N	235.415	4.565	0	10	BJAE	
CC=CCCCNC[C@H]1CCC[C@H](CC)CC1	2009591618	IRGRSHHOVZRMHP-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@]1(C)CC[C@H](C)C1(C)C	2009626267	FCCKWNPTMOBTMI-JDJZTWRCSA-N	237.431	4.523	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCCC)CCC[C@H]1C	2009627299	JNLLASIZMJGOQK-ZOESHWHXSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CCC[C@H](CC)CC2	2009771089	LICSNTUEGAJAHD-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CCC1CCCCC1	2011572662	WTZXKUIGEDHLMW-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@H](C)NC1CC2(C1)CC2(C)C	2012236641	UTXISOWXFLVCCK-HLIUYOAVSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@](CC)(CNC1CC1)C(C)C	2012420922	GWJLAARMXGQRMT-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](CCCCF)(CNC(C)(C)C)C(C)C	2012439821	KNXJBFQJFSZESU-OAHLLOKOSA-N	245.426	4.567	0	10	BJAE	
CC(C)NC[C@@]1(CCC(C)(C)C)CCC1(C)C	2014849092	KQPIAPLOZDCSJY-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C[C@H]1CCCCCC[C@@H]1O)C(C)C	2015275687	RVPYMJRYCILPLM-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@@H](NCCC)C(C)(C)CCF	2016758981	DNWNERCUHQEEIC-CQSZACIVSA-N	245.426	4.711	0	10	BJAE	
CC(C)(C)C1(NCCC2CCCCC2)CCC1	2017098771	XUOGBEWDJGXXSW-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC1(C(C)(C)C)CCC1	2017118675	JRYRWOXIJPOYEF-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)[C@H]1CC[C@H](CCC)CC1	2017663703	XHESOHDXNZMYIR-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC[C@@](C)(NCC2(C)CCCCCC2)C1	2017869566	VBWKHRAQPJCGAO-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1C[C@H]2CC[C@H]1C2	2018130699	PPVURHUPEXQAFY-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCCCC1(F)F	2018133255	CCMRPYXTJGAREK-OLZOCXBDSA-N	247.373	4.513	0	10	BJAE	
CCCCCN(C(C)C)[C@@H]1CC[C@@H](C)[C@H](C)C1	2019124891	VEOJCNODYVRTPT-BZUAXINKSA-N	239.447	4.712	0	10	BJAE	
CCCN(C1CCCC1)[C@@H]1CCC[C@H](CC)C1	2019204033	SXEFYTRGPVLSPT-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H](C)CN(C)[C@H](C)[C@@H]1CCC[C@@H](C)C1	2019285690	NVJPBWZJSURHIO-QKPAOTATSA-N	239.447	4.569	0	10	BJAE	
C[Si](C)(C)CCNc1ccccc1C1CCC1	2021027546	BKHOMVKRUKODSV-UHFFFAOYSA-N	247.458	4.704	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1C[C@](C)(F)C1)CC(C)(C)C	2021406567	WLEYRKNPVBXOSL-LALPHHSUSA-N	242.378	4.546	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@@H]1CCC=CCCC1	2022412779	AAAOHCWFBDGKMQ-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CCCC1(C[C@H](CC=C(C)C)NCC)CCC1	2023334863	BUPWATFTIKTOGZ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C[C@H]1CCCC(C)(C)C1	2024124628	QKKRLOWYYFAUQZ-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)C(=O)Cc1ccccc1C(C)C	2027511046	RIZMKNZLWFFSGV-CQSZACIVSA-N	246.394	4.748	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(F)c1cccc(N)c1	2027938794	FYDSTQLNFDNZQJ-KCXAZCMYSA-N	249.373	4.670	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)[C@H](CC(C)C)C(C)C)c1	2028238839	FCTAHRMHVBJULR-WBVHZDCISA-N	248.410	4.655	0	10	BJAE	
CCc1ccccc1[C@@H](N)[C@@H](CC(C)C)C(C)C	2028254112	CWFGPOOLJKRRML-DLBZAZTESA-N	247.426	4.567	0	10	BJAE	
CC[C@@H](C(=O)c1ccc2ccccc2c1)C(C)C	2028256558	ARAZWUNGCINSFW-MRXNPFEDSA-N	240.346	4.705	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H]1C1CCCC1	2028466015	QBQLYFQOSMQSQJ-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)CCCCCC1CC1	2028626221	RCMAXQHAXNOCEA-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CC1CCC([C@]2(N)CC(C)(C)CC3(CC3)C2)CC1	2030279450	JJWFWRGKYDTAIM-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CC=CCC12CCCCC2	2032662536	ZCQGLUJBCSMRBI-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2CC(C3CCCC3)C2)CC1	2033765568	XXHBTNYCNXLBSO-AKBUMOGYSA-N	249.442	4.514	0	10	BJAE	
C(CCC1CC1)CN[C@@H]1CCCC2(CCCC2)C1	2034364895	STVIUGGIBAKVPI-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CC12CCCC2)C1CCCCC1	2036105417	LBIXNPAKVRMFBD-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CCC/C=C/CN[C@H](C)c1ccc(C(C)C)cc1	2036762942	ISIQDVVYYIHYAQ-MVGZEHJDSA-N	245.410	4.817	0	10	BJAE	
N[C@@]1(C[C@H]2CC=CCC2)CCC2(CCCCC2)C1	2037161378	BHRMCFIEFLOQJF-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)c1cc(C)ccc1C	2037168447	HWZNJVHDTADPKL-QGZVFWFLSA-N	245.410	4.614	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C23CCC(CC2)C3(C)C)C1	2037682563	MYYNRKRQUBMISY-SFYCDEOASA-N	248.410	4.598	0	10	BJAE	
CCCC1CC(C(=O)[C@@H]2CCC3(CCCC3)C2)C1	2037684365	ZIPOYCBXMOACLD-SHARSMKWSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccc(C2(C)CC2)cc1	2038362768	JDDQFXWFYADUKA-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@H]1CCC2(CC2)C1	2038568273	PDWQECKZWBTBJY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@H]1CC12CCCC2)C1CCCCC1	2039077986	DMQRXBYVOQRKIH-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@H]2C=CCCC2)CC1	2039383685	DFYIVQIFNNLXBI-HRCADAONSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@@H]1CC=CCC1	2042024166	JGBHJUMPFFOXNO-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C[C@@H]1CC[C@@H]2C[C@H]12	2045314813	NRINHVLMZDARRT-JYYAWHABSA-N	246.394	4.518	0	10	BJAE	
CCN(CC1(C)CCCCC1)c1ccc(F)cc1	2046575810	VAJRGRMVFCVQDB-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1C[C@H]1CC12CCCCC2	2047016588	PTFZGLCPESUVDV-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC(=CC1CCC2(CC1)CC2)c1ccc(N)cc1	2049848624	KMIXXRXGGLFLIG-UHFFFAOYSA-N	241.378	4.643	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2CCC3(CC3)C2)CC1	2049857298	SHOPGZSPFBMEQF-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@H]1CCC2(CC2)C1	2050457013	XXLZYNAQOYVJRO-AWEZNQCLSA-N	242.362	4.538	0	10	BJAE	
CN[C@H](c1cc(C)c(C)o1)C1(C)CCCCCC1	2052468531	DWBIYFZXONNIMT-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCCCC23CC3)CC1	2053312921	ZLVSIJKUKMXPIG-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CC1CC1)[C@H]1CCCCC12CCC2	2053411664	PDNRZDKHCRSSQB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)C1(C(C)C)CCC1	2056875856	KYDMEOGIPOFUCC-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@]12CC[C@@](N)(CCCCCC3CC3)[C@@H]1C2	2058569887	NFCDOVPCQIOBMY-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@H]2C[C@@H]2C2CC2)CC1	2058991991	NYOCOGJBBSPGNG-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@]1(C)C=CCCC1	2059249787	KQKBKHYODAQMNI-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
C=C=CCC[C@@H](NCC)C1CCC(CCC)CC1	2061567213	WIJCFSZSFWFCRD-OFLPRAFFSA-N	249.442	4.692	0	10	BJAE	
CCN[C@H](CCC1CCC1)CC[C@]12CCC[C@H]1C2	2061571718	MISGSDMISAHXKT-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@]12CCC[C@@H]1C2	2061602871	PZSXIQJRVJJISS-DYVFJYSZSA-N	242.362	4.573	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CC1CC(=C2CCC2)C1	2061736768	KIGMYIZXPGLBRN-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
O=C(CCC1=CCCCC1)C1CC(=C2CCC2)C1	2061737886	WCEMFSOBPBDMJP-UHFFFAOYSA-N	244.378	4.727	0	10	BJAE	
CC1(C)CC(=O)C[C@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063717149	NXVZFSAESWFFMO-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C12CCCC1CCC2	2063821615	JLLNWWCGVVLYQF-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](C1CCCCCC1)C12CCCC1CCC2	2063822058	NSOBDBXAGHAVQL-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CCCNCC1(CC23CCC(CC2)CC3)CCC1	2065329579	WPHYQTDFLDWHOM-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)C[C@H]1CC[C@]1(N)CC12CCC(CC1)CC2	2065340353	VPOBDXPXKKUZQA-MYBQVCMBSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@@H]1NC1CCC2(CCCCCC2)CC1	2065891862	DTUZVVMJJBYJBP-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](C[C@](C)(O)C1(C)CCCC1)c1ccccc1	2067508714	AMYXZNKHXAHNJN-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
Cc1ccc(NC2CC(CC(C)(C)C)C2)cc1C	2067982210	AVSCYCHGJIQEQC-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC1C[C@@H]2CC[C@H]2C1	2068772724	IZMSCDVMLHZKCY-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCC1CCC1)c1cc(C)c(C)o1	2068907566	MFBUUWYEQHTLPV-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2[C@H]3CCCCC[C@H]32)CCC1	2069339440	JFCULKODQSQKKA-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@@H]1C)C1=CCCCCCC1	2071509360	AZSLHJGOQGGSBJ-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC=C([C@H](N)C2(C(C)(C)C)CCC2)CC1	2071938448	NMYKILBRBDYERE-AWEZNQCLSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1CC(C2CCC2)C1	2072417183	MKVSNYIEIHIPPF-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CC2(CCC2)C1)C(C)=C(C)C	2072425444	NPUKYPZIAMHXJN-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1[C@@H](NCC)C(C)=C(C)C	2072427785	WQPIBDPUFJWNSK-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)c2cccc(C)c2)CC1	2072662729	KOVLEXGYZJFADN-ZOBUZTSGSA-N	246.394	4.635	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CNCC(C)(C)C2)CC1	2072810631	XOKYGYGTJUZDAK-SHTZXODSSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCCNC2(C)C)CC1	2072811728	GVOOKGNXPHIKGH-SHTZXODSSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@@H]2CCN[C@@H](C3CCC3)C2)CCCCC1	2073771664	IVFPFPHEPYTCEW-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@]23CCCC[C@@H]2C3)C1	2074112709	JBQPOSJPLIHWMO-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@]2(CNC)CCCC23CCC3)CC1	2074624141	OJTDWSNSILSQSO-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCCC1(C[C@@H](NCC)c2cc(C)c(C)o2)CC1	2074645539	CEMNWARCBIQMMA-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
CCCC1(C[C@H](N)C(C2CCC2)C2CCC2)CC1	2074646734	PGYDAWIGJNUMBW-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CN(C[C@H]1CC[C@H](C)CC1)[C@@H]1C=CCCCCC1	2074797662	SIWDTNXGADJUTN-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CCC[C@@H](C)CN1CCCC[C@@H]1c1ccc(C)o1	2075086294	KUAZFIISULQIKV-UKRRQHHQSA-N	249.398	4.551	0	10	BJAE	
CCCCN(C[C@@H](C)c1ccccc1)[C@@H](C)CC	2075143546	HMQRKHYFSSPUET-CVEARBPZSA-N	247.426	4.691	0	10	BJAE	
Cc1c(F)cccc1C(=O)C(C)(C)C1CCCC1	2077866071	SGMTZAYVISOIIA-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCCc1ccc(-c2ccc(C)cc2O)cc1	2077926694	CYVOBBOEGSMWAO-UHFFFAOYSA-N	240.346	4.710	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CCC3(CC3)C2)cc1	2078345769	FZDOBCBVSGUOTK-BBRMVZONSA-N	243.394	4.945	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1C[C@H]1C[C@@H](C)Nc2ccccc21	2079662224	UDEQGUAQWDRGBK-HGTKMLMNSA-N	243.394	4.657	0	10	BJAE	
CCC[C@@H]1C[C@@H]1COc1ccccc1C(C)(C)C	2079807465	AVRJSLTWNKQRNY-ZIAGYGMSSA-N	246.394	4.799	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@H](C)C(C)(C)CC	2081207542	VYEYYHDBYXRXMR-UONOGXRCSA-N	247.426	4.724	0	10	BJAE	
CC(C)=CC[C@@H](N)c1ccc(C)c2ccccc12	2081778068	AUHXEVSYSCEELW-QGZVFWFLSA-N	239.362	4.504	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C)c(CCC(C)C)c1	2082714276	BRSYMTVNYOYUOL-HNNXBMFYSA-N	247.426	4.644	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C(C)(C)CCC	2212117141	NBRUOJFSGPOVEG-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
C[C@H](CCCCCCCC1CC1)C(C)(C)N	2212464973	XRBFLROCAHNPOG-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)CCCC(C)C	2212597962	RPVCHRSRYFPOQD-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
C=C=CCCC[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F	2213304309	VRXYNVSNBMFWEI-BTTYYORXSA-N	240.337	4.959	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)CCCC1CC1	2213572282	UDICCORIQRXMPS-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@H]1C)C(CC)(CC)CC	2214966182	ZCUBHMRGGUGXOW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(N)(CC[C@H]2C[C@H]2C)CC1	2215266779	SCYOPYONAHEBNO-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@](C)(CCC)CC[C@@H]1C[C@@H]1CC	2215267136	VJERAJMNVVLXQT-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCC1([C@H](O)CC2(C)CC(C)(C)C2)CCC1	2215376509	CQFBYEMUVQUPKN-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@H](O)CC2(C)CC(C)(C)C2)CCCC1	2215392506	FWMMMNGUHVRGOB-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@@]1(C)CC=C(C)CC1	2215814839	RPRTZQNKHYZLEE-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C1(CN[C@H](C)CC)CC(C)(C)C1	2217124990	LSQPJMCZKJZLJE-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C(=O)CCC[C@@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218379020	YLQARZTXPASVPN-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC3(CC3)NC2)CC1	2220210073	VEQIMCVMKCHBSE-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CC(C2CCC2)C1)C1CCCCC1	2220293329	VPYLIGZNYCUZGQ-IMRCBTMISA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)C2(C)CC3(CCC3)C2)CCC1	2221005614	YGPYDUAIOBGKPY-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CC=C([C@H](O)[C@]2(C)CC=C(C)CC2)CC1	2221614750	WNBRRPYICOXRTR-HYVNUMGLSA-N	248.410	4.620	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CC1)[C@]1(C)CC=C(C)CC1	2221632027	PEDIFTKRBHGGRP-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@]1(C)CC=C(C)CC1	2221634435	ZNURKAOOOXRHOM-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CCC(NC[C@H]2CC=C(C)CC2)CC1	2221635147	HWKXMANPTRDGAR-GTPINHCMSA-N	249.442	4.681	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	2222908958	FAPGIEJIPRLDGY-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCCCCC[C@@H](O)c1csc(C2CC2)c1	2243492640	MVYQQDMEVWEURW-CYBMUJFWSA-N	238.396	4.629	0	10	BJAE	
Cc1cc(C(=O)[C@H](C)C(C)C)cc2ccsc12	2248567976	MPEPEVJNXJBPHO-LLVKDONJSA-N	246.375	4.685	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](O)C1CCCCC1	2248806638	GMMZKPZNCGHWKC-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)CCCC1(C)C	2248813443	FHSCCOZSPRMNII-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H](C)C2)cc(C)c1C	2249490474	GYFACZCMOMZMGG-IAQYHMDHSA-N	231.383	4.602	0	10	BJAE	
CCC(CC)CNc1cc(C2CC2)ccc1F	2250105519	SQLNANSZJOAZNV-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC1CC(C(C)(C)C)C1	2250367536	AJGFRMNJOVJXKM-SHWKFHJASA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1ccc2sccc2c1	2250369712	WDPIZNIJKLJEPH-ABAIWWIYSA-N	248.391	4.761	0	10	BJAE	
CCCCC[C@H](C)NC[C@]12CCCC[C@@H]1CC2	2251200401	DOSXDGRPFNJTHU-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](N)C[C@]12CCCC[C@@H]1CC2	2251217209	FXUSJPLFRYCBCW-OWCLPIDISA-N	237.431	4.645	0	10	BJAE	
CC=CCCCN[C@H]1CC(C)(C)CCC1(C)C	2251675860	VCGZUZTVLFXXTN-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@H](N)CC[C@H]1CCCCC12CC2	2253843866	NHVPDVJPNFZRCW-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NC1CC2(CC(C)C2)C1	2254153055	GOOUWTHOUBNCEF-ZISAHBJPSA-N	249.442	4.514	0	10	BJAE	
CC1CC2(C1)CC(Nc1cccc(C(C)C)c1)C2	2254158956	OICZIOXFGZHOPG-UHFFFAOYSA-N	243.394	4.801	0	10	BJAE	
CC(C)NC[C@@]1(CC2=CCCCC2)CCC[C@H]1C	2255143516	YPZBPFBFBCMMLQ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC[C@H]2CCCC23CC3)CC1	2255236042	MZVVCFQLPUEEBY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)CC[C@@H]1CCCC12CC2	2255315432	NFNCRBUCTSSERT-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(NCCCCC[C@H]2C[C@@H]2C)cc1F	2257325350	OVNWEDXTRUTQLG-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)c1cccc(C2CC2)c1	2259435208	AMZMMDVFHJFDFH-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@]23CCCC[C@H]2CC3)C1	2260527041	ITKXBWCDTHSWKZ-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)C[C@@]12CCCC[C@@H]1CC2	2260646549	MKCQHLSVZYAVBK-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H]2CCCCC23CC3)C1=O	2261436138	PGVGXDDHYFXAKL-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1CC(CCC(=O)C[C@@H]2CCC=CCCC2)C1	2261508735	GNHHYCWRZMJGKE-HWOWSKLDSA-N	248.410	4.908	0	10	BJAE	
CCCc1ccc(C(=O)[C@]2(C)CC=CCC2)s1	2300615511	LHYMCFLEOOUDAO-OAHLLOKOSA-N	248.391	4.630	0	10	BJAE	
CCC(CC)CC[C@@H](NC)C1CCC(C)CC1	2300676961	UWPWNNHFDSGOTI-AVVWSFFYSA-N	239.447	4.617	0	10	BJAE	
CC1CC(CNc2cc(C3CC3)ccc2Cl)C1	2300690493	JPVGVRWEQYVMFK-UHFFFAOYSA-N	249.785	4.675	0	10	BJAE	
CCNC[C@@H]1CCCC[C@H]1CCC(CC)CC	2300701884	URRVQZOPXVXWML-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
C[C@@](N)(CCCC1=CCCCC1)C1CCCC1	2302331085	IUJCOGAVMRFORM-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCc1cscc1N[C@@H]1CCCCC12CCC2	2302891538	CZODGPGQNGEPBS-CQSZACIVSA-N	249.423	4.835	0	10	BJAE	
CCCCCCC(=O)CC[C@H]1CC[C@@H]1C1CC1	2303158827	NZHOBHHWGOCEIQ-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303508875	SSLRIJKUSQBACX-XQLPTFJDSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303513292	ZJUHZZHIBJBLJW-MELADBBJSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)CN1CCCC(CC)(CC)C1	2307747867	UDHNFBUIJSWSID-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](NCC)C1CCCC1	2307900315	FPFFUWWVKHIBDO-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C(C)(C)C1CCCC1	2307904892	VDEMPZDGCKHANT-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C)[C@H](C)CNCC(C)C	2307911631	WXAKWPBQLWRODU-OAGGEKHMSA-N	241.463	4.721	0	10	BJAE	
N[C@@H](CCC1CCCCC1)CC[C@@]12CCC[C@@H]1C2	2310374780	FCGQNMSHGZORFP-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@@]12CCC[C@@H]1C2	2310890380	AOEAZEKRJFGCLY-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2)C1CCCC1	2312943567	BBYLIYFNYGAJSL-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312944762	RJSKQUBRZXAQEV-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313184016	ZMTVHAYHQRYVQJ-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CC(=CCN1CCC2(CCC2)C1)CCCC(C)C	2316515082	MUHQLSQDUULVPL-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC2[C@H](C)C[C@H]2C)cc1	2316714092	CZTXRFIMUDJEON-MCIONIFRSA-N	245.410	4.505	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1C[C@H]2CCC[C@H]1CC2	2316887515	YQIOMWZHLSJCDT-QAETUUGQSA-N	249.442	4.680	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@H]1C[C@@H]1C(C)C	2317929875	PFVMESWUFJCZSR-SWLSCSKDSA-N	249.373	4.653	0	10	BJAE	
C[C@H]1[C@@H](Nc2ccc(C3CCC3)cc2)CC1(C)C	2318184154	RMYOMYHGYFCVMF-LRDDRELGSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1[C@H](Nc2cc(C3CC3)ccc2F)CC1(C)C	2318246652	BMRLYHAZRHYQSX-MEBBXXQBSA-N	247.357	4.550	0	10	BJAE	
FCOc1ccc(CCCC2=CCCCC2)cc1	2318568312	JRRDUVRKZJODHR-UHFFFAOYSA-N	248.341	4.816	0	10	BJAE	
CCCN[C@H](CCCC1=CCCCC1)C1CCC1	2318575353	DLPVLRJOXDOMSM-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)c1ccc(C)o1	2318589797	UQSXBHFCBMWRRL-HNNXBMFYSA-N	247.382	4.519	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCCC[C@@H]3C[C@H]32)C1	2319444723	XWTGMIJMHLXHDD-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@H]2CC[C@@H]2C2CC2)C1	2319732215	ZJBUSCYTOPLFRQ-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CNCCCCCC2CC2)CC1	2320371096	OGFRUNFPPRBQMQ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H]2CCCC(C)(C)C2=O)CC1	2320389399	ZVFYQPZFSUKFRM-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1CC[C@H](C)C1	2320401792	MBFJVSKLPHFVQX-NKKGCODLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@@H](CC2CC2)C2CC2)CC1	2320765599	MWPLGSBUTKZVRR-XOKHGSTOSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CNc2cc(F)cc(CC)c2)CCC1	2321078311	DLBAZTWVPNHOPW-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
C(=C\c1cc2ccccc2o1)\c1ccccc1	6192838	UCPJIRJQIFKUFP-KHPPLWFESA-N	220.271	4.603	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H](C)c1ccccc1	20014016	YMZLZULFBQAZKF-LBPRGKRZSA-N	245.753	4.822	0	10	BJAE	
CC(C)C[C@H](Nc1ccccc1)c1ccccc1	21517422	SRHATCHNHGCCTE-KRWDZBQOSA-N	239.362	4.886	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@@H](C)c1ccccc1	21521008	OGMDLCZXUHZLCK-YCPHGPKFSA-N	233.399	4.552	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(Cl)cc1	21787864	JTRZMZXUYKFBTR-NSHDSACASA-N	225.763	4.721	0	10	BJAE	
CCCN[C@H](CCC)c1cccc2ccccc12	70941301	UQEQAEFLLQSDIA-QGZVFWFLSA-N	241.378	4.681	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cc(C)ccc2F)C1	71107667	WZTGACPYMUNIRC-STQMWFEESA-N	235.346	4.515	0	10	BJAE	
CC(C)(C)CC(C)(C)NC1CCC(C)(C)CC1	79626190	ZBLBVKUPDCPOMP-UHFFFAOYSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2c(C)cc(C)cc2C)C1	80457191	XUTOYBZWRJOTBZ-CABCVRRESA-N	231.383	4.602	0	10	BJAE	
N[C@H](c1ccc(C2CCCC2)cc1)C1CCCC1	84933485	MBJPTTXQGHSGCL-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cccc2cc[nH]c12	89209181	LUFMOVNJPBRGFZ-UHFFFAOYSA-N	243.350	4.567	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC1(C)C)C1CCCCC1	94279336	DVRAZAYPQZLCMA-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1ccc([C@@]2(N)CCCCC2(C)C)cc1	94279459	QUJIBZQGUNSYCF-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@@H]1CCCC1(C)C	94321458	BXDNTUAWCXDPBB-OAHLLOKOSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H](C(CC)CC)C1CCC(C)(C)CC1	94676687	ALWCUZQTNWUGLN-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc([C@@H](C)NCCCC(C)C)cc1	103982177	OOKLEXHZMRDILC-OAHLLOKOSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H]1CCCCc2ccc([C@@H](C)CC)cc21	104168765	RAOLUINPZVWJAF-GUYCJALGSA-N	245.410	4.577	0	10	BJAE	
FC(F)(F)c1cc2cc(Cl)ccc2s1	140004109	HGHIKSOZDZDFIX-UHFFFAOYSA-N	236.645	4.574	0	10	BJAE	
CCCN[C@H](c1ccoc1)C(CCC)CCC	164952458	QMBDCIJCBGXQRM-HNNXBMFYSA-N	237.387	4.537	0	10	BJAE	
CC(C)CCC[C@@H](O)C1CCC(C(C)C)CC1	165752424	RNCKKGJEYDKDLH-UYSNPLJNSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC(C)(C)C1	225978894	XFGWNVGRHRSBKN-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@@H](C2CCCCCC2)C1	227539296	GQJPEGJZYZZBTM-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CCC2CCCC2)C1	229481387	GYHQNRMGQNMKCJ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CC1)Nc1ccc2sccc2c1	229678577	LCFQVSCOCXGTBP-SNVBAGLBSA-N	231.364	4.502	0	10	BJAE	
CCCC[C@@H](NCCC)c1c(C)cccc1C	233004923	ZVHKKMYTRRLSRS-OAHLLOKOSA-N	233.399	4.534	0	10	BJAE	
Cc1cc(C(C)C)cc(C2(N)CCCCC2)c1C	258268427	GFAXCTJJBHDNHZ-UHFFFAOYSA-N	245.410	4.545	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CCC(C)(C)C	300809641	FRTMGUXCNSRTAD-KGLIPLIRSA-N	227.436	4.747	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@H](C)CC(C)C	300894469	KFRPDOSEHMZKMN-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)c1csc(C)c1	300919434	KYSLJRGXQABEOG-SMDDNHRTSA-N	239.428	4.533	0	10	BJAE	
Cc1cc(C)cc(O[C@@H]2/C=C/CCCCC2)c1	302306434	ASGASDMKUXJTIY-PMGBHYCQSA-N	230.351	4.571	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H](C)CC(C)C)cc1	304200163	YZYNGZJWOOPLCA-ZDUSSCGKSA-N	232.367	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCC2CCCCC2)C1	305895447	FXDBDLUNTZKJEZ-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(CCCC(C)(C)C)C1	305958912	WIZYSPMATSAZBK-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCc1cc(SC)cc2sc(Cl)cc12	306856421	XYWSRYRWOVLBAK-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Fc1sc2cccc(C(F)F)c2c1Cl	306872352	UXMJEOGMJVVKBF-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1c(Cl)sc2cc(S)ccc12	307364116	JYGOSIZNXVTNBW-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CCC1=CCCCC1	308079926	YXDAFCRKWCNLLB-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC1(CNCC2CCCCCCC2)CCCC1	309992461	HZDOZGDZTOOYPW-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC1(C)CCC(CSc2cccc(N)c2)CC1	310166119	SGNOGSVYWLFCCE-UHFFFAOYSA-N	249.423	4.577	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C(C)(C)C(C)(C)C	310586395	VXYJBBDRGBGWJH-ZIAGYGMSSA-N	241.463	4.993	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)c2ccccc2C(C)C)C1	311049959	HYTJXLPCAAYODC-UONOGXRCSA-N	244.378	4.819	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(C)CCC[C@@]1(C)O	313179083	RTXSSRRRDFBULP-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)[C@@H](CC/C=C\c1ccccc1)NC	324318037	UEFQFZKBGXHTQV-HOFZKYPUSA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)C1CCCCC1	379969845	MQOMCQCUUCBLMT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(F)c(NC(C2CCC2)C2CCC2)c1	380577838	ADGOLEPJZXSZSO-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H](C(=O)C[C@H](C)CC(C)C)c1ccccc1	380654447	ORZQOSGRXLSVAS-GDBMZVCRSA-N	246.394	4.822	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CCC1CCCCC1	380870492	LEBUJUXIGWUQKD-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](NCC)c1csc(Cl)c1	382185291	PRQJXOBZONWGDN-NSHDSACASA-N	245.819	4.632	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](CCCC(C)(C)C)NC)C1	382667382	PMCSZVHWJXXUBU-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCNCC(C)(C)C(C)(C)C	383249231	JZGKJRYCYGGSGO-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
CCCN[C@H](CC)CCC[C@@H](C)c1ccccc1	384825932	XCYBVZLGPFLQKX-NVXWUHKLSA-N	247.426	4.739	0	10	BJAE	
Cc1c(N)cccc1SCCC1=CCCCC1	385254491	XLXCRRHJTKGBLD-UHFFFAOYSA-N	247.407	4.560	0	10	BJAE	
CC[C@]1(C)C[C@H]1N[C@H](C)c1ccc(C(C)C)cc1	397244783	AJCKISLUQRCWNN-KBRIMQKVSA-N	245.410	4.649	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H](C)C(C)(C)C	399311470	MIFWPYPPWXQRGQ-UKRRQHHQSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C1CC1)c1ccoc1	405769967	ZLCCRCFSHKZESD-HNNXBMFYSA-N	249.398	4.537	0	10	BJAE	
CN[C@H](CCCC1CC1)c1ccc(C(C)C)cc1	405841055	IOYCVENLNWATQG-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCCC1(CNC(CC)(C2CC2)C2CC2)CCC1	687270858	SQEUNYBPENOCEB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(CC)c(NC[C@H](C)CC(C)C)c1	689616954	BHIXKVUZOVDQSO-CQSZACIVSA-N	247.426	4.906	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1c(C)cccc1F	691137091	JINFSRVSURICCC-UKRRQHHQSA-N	249.373	4.905	0	10	BJAE	
CCCNCC1(CCC(C)(C)CC)CC(C)C1	691392212	SDMBOOBOHZUBKO-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2CCC[C@@H]3C[C@H]32)CC1	691761776	UHVCSGHAFIPPFC-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CSc1ccccc1N[C@H]1CCC12CCCC2	694404960	SBRYMQFQOPMTEK-AWEZNQCLSA-N	247.407	4.543	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1c(C)cccc1C	696662545	XTAGATRWFTXQSV-AWEZNQCLSA-N	233.399	4.520	0	10	BJAE	
CCC(C)(C)[C@@H](N)C1CCC(C(C)(C)C)CC1	701103998	XWPYZYXLXUNFNA-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)C[C@H](C)C1CCCCC1	708322658	AYMWKLQIDPVDBE-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CCCC(=O)C(C)(C)C)CC(C)(C)C	709212976	PVCYXRUOGIBMFD-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
CC(C)C(C)(C)CCC[C@H](N)c1ccccc1	713176633	YIFLVXVOIAPZKR-HNNXBMFYSA-N	233.399	4.539	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CCC[C@H](C(C)C)CC1	713242280	IHBKSGBQIFAOCG-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	716892715	GCFAKVVQQQKRAI-DZKIICNBSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C(=O)CCCC(C)(F)F)CC1	718713448	SOCITDJAOCOUAZ-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
Fc1cc(C(F)(F)F)ccc1-c1cccs1	757565341	CAFQNSYGMPHUPA-UHFFFAOYSA-N	246.228	4.573	0	10	BJAE	
C[C@H](N[C@H]1C=CCCCCC1)[C@H]1CCC[C@@H](C)C1	1171190427	SENRONVNVNJGFR-QZWWFDLISA-N	249.442	4.680	0	10	BJAE	
C=C/C=C/CCN(C)c1ccc(C(C)(C)C)cc1	1307427311	MYXXEPDCFDEOBW-BQYQJAHWSA-N	243.394	4.553	0	10	BJAE	
CC[C@H](C)S[C@@H](C)c1ccc(Cl)cc1	1559366048	HGBDMNAQQDXRTP-UWVGGRQHSA-N	228.788	4.933	0	10	BJAE	
C[C@@H]1CCCC[C@H]1COc1ccc(Cl)cc1	1613673606	DINYHORSHUFVAD-NEPJUHHUSA-N	238.758	4.545	0	10	BJAE	
C[C@H]1CCN(CCC2CCCC2)c2ccccc21	1616097954	CDFSRLHFUXROHF-AWEZNQCLSA-N	243.394	4.581	0	10	BJAE	
CC(C)CCSc1nc(C(C)(C)C)cs1	1860808057	WOIBACVQEZPLMK-UHFFFAOYSA-N	243.441	4.579	0	10	BJAE	
CS[C@@H](C)C(=O)CC[C@H](C)CCCC(C)C	1899733886	JUWBZPZRCAQRNF-OLZOCXBDSA-N	244.444	4.550	0	10	BJAE	
Cc1cscc1NCCCC1=CCCCC1	1901963488	ZXVRLVJMQSOUDJ-UHFFFAOYSA-N	235.396	4.749	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC)CN[C@H](C)CC	1905379772	BWJDWPWESHAQDW-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
C=CC=CCC[C@@]1(CNCC)CCC[C@H](CC)C1	1911794441	LTCMPRPUKYDCND-DLBZAZTESA-N	249.442	4.705	0	10	BJAE	
CCCC=CCN[C@H]1CCCCC[C@@H]1C(C)C	1914680490	SUJRRCXDPOHGLK-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)CCc1ccccc1	1919927076	IQRNLFMDXKWCOO-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
CCC(C)(C)C[C@@](C)(O)c1ccc(C(C)C)cc1	1920038982	SCGGLJBZPFRINH-QGZVFWFLSA-N	248.410	4.844	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CC(CCC)C1	1921256802	ITPODAOPJNGJQQ-WLYUNCDWSA-N	225.420	4.501	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1CCCC12CCC2	1921587348	VREPGUPXWIVPQF-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C[C@@]1(CNC2CC2)CCCC12CCC2	1921612545	ZGNPQVZBOGYDRZ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(CNCC)C1CCCC1	1924118517	IQACJGGXPKGIRN-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
Fc1ccc(C[C@@H]2C=CCCCC2)c(Cl)c1	1925816531	HXVGEURUYSUGJP-LLVKDONJSA-N	238.733	4.768	0	10	BJAE	
CSc1cccc(C[C@@H]2C=CCCCC2)c1	1925873122	ZHWUFEXSPNAYJG-CYBMUJFWSA-N	232.392	4.697	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@H]1C=CCCCC1	1925915484	PSYDRELJBHOOPE-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN[C@H](C)c1ccc(C)s1	1926146844	YRBOSOFIGUZRNJ-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@H](C)NCC(C)(CC)CC	1936270338	FOBMKOVDBIPBON-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
Cc1csc(C(=O)CCCCCC2CC2)c1	1936422282	YZODOEFWAMIFOV-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CC1(C)CCCCC1	1940418049	ZBURAJJXBQEUHT-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CC1(CC)CCC1)NC	1941263975	PYJLSTHDBZTEPQ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CCCC1CCC1	1941462824	GDPQQHNBLCZHNV-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)c1ccsc1C	1944451903	OMCMNYLYBUXEJR-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CCCC(CCC)C(=O)CC1CCC(F)CC1	1944534598	KSWGEZWOAFTLBU-UHFFFAOYSA-N	242.378	4.690	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@@H]1C(C)C	1947516482	UIJIVODTJDBWDC-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC12CCC2)c1cccs1	1947881170	LLWVPFKBYADIEO-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CCC(C)(C)C2CC2)CC1	1949032167	KCFXPAVZDUKCLO-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)[C@H]1CCC(C)(C)C1	1949500895	IANCHYAQWZGSQV-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@@H]1CC[C@@H](C)C1	1949502034	RPCTXFKOBZIPQP-IUODEOHRSA-N	232.367	4.686	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCCC1CC(C)(C)C1	1949859954	PRCCRVAYGMFMTE-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCCC(F)(F)CC1	1949889697	KEICWGJUVXBZPC-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@@H](C)CC1)C(C)(C)CC	1950921376	FEIQYMLLDWZEMT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](NC2CC3(CC3)C2)CC1	1962812201	LPJVAGHBHXEXER-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCCCC23CCC3)C1	1967781937	CFKATVQHALOIOY-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](CN1c2ccccc2C[C@H]1C)CC(C)(C)C	1968232843	MMMMMZSIOWZGDW-ZIAGYGMSSA-N	245.410	4.510	0	10	BJAE	
CCCC1CCC([C@@H](C)NC(CC)CC)CC1	1968318069	CCNTWJRSGAPWDV-WLYUNCDWSA-N	239.447	4.760	0	10	BJAE	
CCc1ccc(-c2nc(C3CCC3)cs2)cc1	1968432802	WSMPLAXFMGMTIW-UHFFFAOYSA-N	243.375	4.640	0	10	BJAE	
CC1(C)CCC[C@@H]1CN[C@H]1CCCC2(CCC2)C1	1970016685	VZNYCSXCRYTVHQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCC3(CCC3)C2)C1	1970281394	NHJQSWZQALGFCT-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCCC2(CCC2)C1	1970830309	SXSUHZNPJGRHDZ-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
C[C@H]1CC[C@H](CN2CCCCC23CCCCC3)C1	1972911295	DRKASGVWSLZVGY-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
C[C@H](N[C@H](C)CC1CCCC1)C12CCC(CC1)C2	1973843591	GPBBJQREJRZZCT-VBJONLRCSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](Nc1cscc1C)C1CCCCC1	1975996278	DHQMLNSFBQQKQX-ZDUSSCGKSA-N	237.412	4.827	0	10	BJAE	
CC=CCCCC(C)(C)C[C@@H](C)NCCC	1984633235	UVPIDYIUDYHDRI-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCC(N)(CCC)CC(C(C)C)C(C)C	1988308877	GROMGGZQRMUQET-UHFFFAOYSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](C)CCC=C(C)C	1988794368	ISJGRARXBCXBKA-SOUVJXGZSA-N	225.420	4.536	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC(C)=C(C)C	1989652382	VQOUGZVGEKQUSQ-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CCC[C@@H](C)COc1cc(C)c(Cl)cc1C	1989926025	HNNPDFBJHDQKRN-SNVBAGLBSA-N	240.774	4.772	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H](C)CCC(C)C	1990901857	YALYQYGSELCQFB-GJZGRUSLSA-N	227.436	4.568	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CCCCCC(C)C	1992976281	FURKPWJUEVFWGI-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NC)c1ccsc1	1995259204	KZYJKMXMTNYFJI-TZMCWYRMSA-N	239.428	4.615	0	10	BJAE	
CC[C@@H](C)Cc1coc2cc(C)cc(C)c12	1995463428	JUEZUANMKPROPQ-SNVBAGLBSA-N	216.324	4.638	0	10	BJAE	
CCC(CC)(CC)N[C@@H]1CCC12CCCCC2	1995652676	AGGUZDOOWVVDHI-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H]1CC[C@@H](C)C1)NC	1996247392	ITTCOLFCVKIKHD-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CC2CCCC2)CC1	1997107786	DWDIYOAOZAGADG-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC[C@@]1(C)CC=CCC1	1997588301	NJDBTFFWBVLKEI-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@@H]1CC(C)C	1998754602	DWGAECBQJQWWQY-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CC(C)C1CCC(c2csc(C3CC3)n2)CC1	2002927676	BKYVYUQDNYGQOM-UHFFFAOYSA-N	249.423	4.950	0	10	BJAE	
C[C@H](N[C@H](C)C(C)(C)C)[C@H]1CCCC(C)(C)C1	2003005024	JBDXQDZXACZIJS-MJBXVCDLSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CCC2CCCC2)C1	2003012578	APVQYKFNATYONA-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CN[C@H]1CCCCCC[C@H]1CCC1CCCC1	2003097535	GSMNJTZLJUATRS-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2CCCCCCCC2)C1	2003101756	YOSXTQADRBHJHH-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@]1(C)C=CCCC1	2003321225	MZBGNXNATMSXCG-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@H]2CCC[C@@H]2C)cc1	2006726280	MHELUKSFQCQKQW-XEZPLFJOSA-N	232.367	4.768	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CCCC(C)C)[C@H]1C	2006982337	SIWFQGWYFVOCRD-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC(=O)C1(C)CCC2(CC2)CC1	2007683569	QTNVQTKQEXQWIB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H](CC(C)C)C(C)C	2007861579	WLBLAUSTMPTWKW-HOTGVXAUSA-N	239.447	4.639	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)C=C1CCCCC1	2007918697	AFDJBXURJMOZHC-HOTGVXAUSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@](C)(N)C1CC(C2CCC2)C1	2008404054	ABWXSGFWHUYQGH-UYSNPLJNSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](O)[C@H](CCCC2CCC2)CC1	2009420240	NWPMXFVOCVBUEW-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCOc1ccc([C@@H](C)CC)cc1	2009580199	YDJAGQAMQZZJSC-AWEZNQCLSA-N	232.367	4.935	0	10	BJAE	
C/C=C/CCC[C@H](O)C1CCC(CCC)CC1	2009593803	RMROOVMLBGUBOF-HRGWESDBSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@H](O)[C@@]1(C)CC[C@H](C)C1(C)C	2009595331	WHPOEFKLUDWCSA-RXDJVFEXSA-N	238.415	4.556	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1N	2009621003	ZYLNMXNLSSYCJT-QLFBSQMISA-N	237.431	4.523	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC(C)(C)C[C@H]1NCC	2009626549	FLGQLKKKWNGGON-IPKOWEFYSA-N	237.431	4.537	0	10	BJAE	
CCCC1CC(Nc2cccc(C(C)C)c2)C1	2009716900	ZMWZRZZIQLSEEC-UHFFFAOYSA-N	231.383	4.801	0	10	BJAE	
CC(C)CCCCC[C@H]1C[C@H](O)CC(C)(C)C1	2012048664	ATHWBANBQXMSDK-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC(C)(C)C(C)(F)F	2013295351	FFJYAPXGQNUPEG-CQSZACIVSA-N	249.389	4.602	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CC(C)(C)C[C@H]1C	2013323188	UQCZIMJKQMIBRQ-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1cc(C)c(C)o1	2015324074	XJBDLKFAJILPNW-UONOGXRCSA-N	237.387	4.503	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CC(C(C)C)C(C)C	2015336677	ZAEBGQWZDPTODM-OAHLLOKOSA-N	241.463	4.671	0	10	BJAE	
CC(C)C(CCN(C)[C@H](C)C(C)(C)C)C(C)C	2015394759	RQJKCEUDPVTCNL-CQSZACIVSA-N	241.463	4.671	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@]1(C)C[C@H]1C)NCC	2016457484	QJIVWNXVDSBLJM-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(CC(=O)C(C)(C)CCF)CC1	2016765177	IBILXFKCAXBFFZ-UHFFFAOYSA-N	242.378	4.548	0	10	BJAE	
CC(C)C1(CC(=O)[C@@]2(C)C=CCCC2)CCC1	2017126505	BQGCNPDVZNYXSN-HNNXBMFYSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@]2(C)C=CCC2)CCC1	2017129527	PQCXLFLVMXZYKE-HNNXBMFYSA-N	234.383	4.518	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)C1(C(C)(C)C)CCC1	2017159062	QZJGNQPGBVHFNT-CQSZACIVSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@]2(C)C[C@@H]2C)CC1	2017663836	ZBNCVUARRQIVBQ-YXWQFLTLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](N)(CC)C2CC2)CC1	2017729392	WJDRIWWMRNATMP-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCCCN(C[C@H]1CC[C@H](C)CC1)C(C)C	2019451006	ORICCADQVVSEJF-WKILWMFISA-N	239.447	4.713	0	10	BJAE	
CC[C@H](Nc1ccccc1C1CCC1)C1CC1	2021026941	KHTFDZQVVOLAHJ-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CCC(=O)CC1CCCCC1	2022554576	PMHHOUNFSZSZGL-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
Cc1cccc([C@](C)(O)CCCCCC2CC2)c1	2028618322	FDKGBZKYYRCRSK-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)c1ccc(C2CCCC2)cc1	2031748575	XNPRQTHMKPAHOZ-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C2[C@H]3CCCC[C@H]23)CC1	2033522563	IGXVGTMYERKBRG-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCC1)C1CCC(CC)CC1	2035589751	HVJIVPXIPVFXRD-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1ccc([C@@H]2C[C@H]2C)o1	2037137311	PMWYZHSZWWURON-JHJVBQTASA-N	249.398	4.619	0	10	BJAE	
CCC1CCC([C@H](N)CC2CC3(CCC3)C2)CC1	2037980170	UXRUNRFGGROYJS-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CCC[C@@](C)(O)c1ccccc1)C1CC1	2038170275	CVVHLJKHTPFSTF-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CCCc1ccc(NC2C[C@@H]3CCC[C@H]3C2)cc1	2038621508	HIRZTPBWSYDWBZ-GJZGRUSLSA-N	243.394	4.630	0	10	BJAE	
CC1CC(CNC(C)C)(C[C@H]2C=CCCCC2)C1	2038871575	BVSCLYHTZPOPST-CGZBRXJRSA-N	249.442	4.537	0	10	BJAE	
CC1CCC2(CC1)CC(N)(C[C@@H](C)C1CCC1)C2	2038892604	CTUFKASINXUNFX-FBZFNHGYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H](N[C@H]1CCCC2(CCC2)C1)C1CC1	2041288936	DPKVWBUSRJRRHN-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1NC[C@@]1(C)CC=CCC1	2042068638	ZNZCJADPVGIUQH-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@@]1(CCC[C@H]2CC2(C)C)CC=CCC1	2042091802	OTXQSPYUGRQGCP-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
Cc1ccccc1N(C)C[C@H]1CCC=CCCC1	2046558236	MIFUABZJKIJIKC-INIZCTEOSA-N	243.394	4.568	0	10	BJAE	
CC(C)(C)CC[C@]1(CNC2CC2)CCC12CCC2	2047939037	KNSZJTUSSJSSSV-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H](C)c1ccoc1)[C@H]1CCCC(C)(C)C1	2049542813	HCQRHCYPTAECKO-MJBXVCDLSA-N	249.398	4.535	0	10	BJAE	
CN[C@H](CC[C@H](C)CC(C)C)c1cccc(C)c1	2050442063	SLBLOAYNQMEOEY-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CN[C@H](CC[C@H](C)C1CCCCC1)c1ccco1	2050523679	WIGZCPOJHWGESO-DZGCQCFKSA-N	249.398	4.537	0	10	BJAE	
O[C@H](CCC1=CCCCC1)[C@H]1CCCCC12CC2	2053419787	HLBVVNNTIHIJKH-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CCCC[C@@H]2F)cc1	2055159482	MBVHJECSNIWWCP-LSDHHAIUSA-N	249.373	4.677	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)C2(C)CCC3(CC3)CC2)C1	2056535512	DWSJDRPZFPDCPF-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC(C)C1CC(CC(=O)C2CCC3(CC2)CC3)C1	2056672122	SWSAVNSROJEGBF-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)C1C(C)(C)C1(C)C	2056875107	CVLNUDLTTWTXCH-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](N)(C=C1CCCCC1)c1ccccc1	2056917656	UBHKHGAPIMVRNO-QGZVFWFLSA-N	243.394	4.531	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C1=CC[C@@H](C)CC1	2060921377	LCCOVWWJUBONIG-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C2=CCC(C)(C)CC2)C1	2061116145	NHCGZPYWFBILSU-UNEWFSDZSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@]1(C)C[C@@H]1C	2061150084	IAFWYQIAZBNYAM-YSVLISHTSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C(CC(=O)c2ccccc2)CC1	2061196517	RPHXVBIBKGMELD-HNNXBMFYSA-N	242.362	4.642	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C[C@]12CCC[C@H]1C2	2061617139	NPJFEBQJJANZLC-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC(C[C@H](N)CCC3CCC3)C2)C1	2063212152	XPQJKLXKKHWYPT-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063517689	WBKUJIZETWLNMK-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCCC(N)(C1CCCC1)C1CCCC1	2065935683	LWHLINLJHSAUQV-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CCCCC(C)(C)NCc1ccccc1C1CC1	2066383843	VOVPSCSLKJHUMD-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)c1ccccc1C(C)(C)C	2068816499	BHILSHHGKDDGKU-CJNGLKHVSA-N	248.410	4.700	0	10	BJAE	
CC(C)C[C@](O)(C[C@@H](C)C(C)C)c1ccccc1	2068817112	DWIOBVXGCKGXKW-WBVHZDCISA-N	248.410	4.603	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CCC2CC1C2	2069264616	CXXKJQIWWYGTBC-BACDZXNISA-N	249.442	4.514	0	10	BJAE	
CCCC1(CC(=O)c2cc(C)ccc2F)CCC1	2069283238	QXBOBQBKZXPQJZ-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CCCCCCC1	2071190427	HBTNKDKXAOWBKD-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C[C@@H]1C[C@@H]1CC	2071511517	OTCPNFWSZSKCBK-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1C)C1=CCC(C)(C)CC1	2072091937	AJWCDUNKASOJTA-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@H]2CNC3(CCCC3)C2)CC1	2072820061	HBBSKXMIDRLGIL-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)C=C(C)CCC2)CC1	2072875030	JKIUPCORJTYKGC-ULQDDVLXSA-N	249.442	4.811	0	10	BJAE	
CCCCC[C@@](O)(CC)c1cc2ccccc2o1	2073343705	YJURWBIAGUGHOT-INIZCTEOSA-N	246.350	4.611	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@@]12CCCC[C@H]1C2	2074101573	ONSQSRQSSWICBN-JKQORVJESA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CCC2(CCCC2)CC1	2074898404	CITRSNBVUUQRCO-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC[C@](CNC1CC1)(C(C)C)[C@H]1C=CCCCC1	2075364599	IGWHHXJIRYYLST-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1	2079492769	STGCGMFVAJYGRV-AHNOJICISA-N	248.410	4.598	0	10	BJAE	
CC1(CC(=O)C[C@H]2C[C@H]2C2CCCCCC2)CC1	2079861596	GOZZVGSVWNECIH-HOCLYGCPSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](C)c1ccccc1	2081945412	VCXHCFVPPFQTDN-GFCCVEGCSA-N	243.325	4.561	0	10	BJAE	
C[C@H](CC12CCC(CC1)CC2)[C@H]1CC[C@@H](N)CC1	2082138148	ZXLIDTXMJKPAFE-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)N(CC)Cc1cc(C)cc(C)c1C	2082953289	LIWVMPLBJRWYEM-UHFFFAOYSA-N	247.426	4.622	0	10	BJAE	
CC1(C(=O)c2cccc(C(C)(C)C)c2)CC=CC1	2083550662	PLFDZWTWWMMBJG-UHFFFAOYSA-N	242.362	4.523	0	10	BJAE	
CC1(C)C[C@@H](N[C@@H]2CCCC3(CCC3)C2)C1(C)C	2084369609	ZLZVCYYNFKXDHS-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](O)CC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216745556	XCFDYWISVPPEFF-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCN(C)CCCCCCCC1CC1	2216876976	HSKREPCTTVHFNZ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
C[C@H]1CC(CCC=Cc2ccccc2)C[C@H](C)O1	2219074496	SBDBRWPXUBUSEM-GJZGRUSLSA-N	244.378	4.684	0	10	BJAE	
CCCC[C@](CC)(CN)C/C=C/c1ccccc1	2219096468	VZPQKLXWSXOGSR-KQPPXVQYSA-N	245.410	4.635	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCC1(C)CC2(CCC2)C1	2220935927	MVZNASRUQIUMGV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C1(C)CC2(CCC2)C1	2221002262	PHIRUDMNVOIVSR-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H](N)CC2CCCCC2)CC2(CCC2)C1	2221015433	IDRZSKSEOYTJJX-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)C[C@H]1CC=C(C)CC1	2221609146	GUMXDNPCUXMTSE-GVDBMIGSSA-N	249.442	4.633	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H](C)C2CC(C)(C)C2)CC1	2221643213	ALNWAHBRSSYCSB-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCNCC1=CCCCCCCC1CC1	2223109410	JBODWMCABIQGEW-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC1(C[C@@H](CNC2CCC2)C2CC2)CCCCC1	2223584686	WAWZCJFAZSHMTA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)c1cccc2ccoc12	2224156174	JBNWSUDTJJCVIA-IUODEOHRSA-N	245.366	4.505	0	10	BJAE	
C[C@@H](C[C@H](N)c1ccc2occc2c1)C(C)(C)C	2224161538	BNFLOXFHHCHEQJ-FZMZJTMJSA-N	245.366	4.505	0	10	BJAE	
CCC(O)(CC)CCC[C@@H]1CCC[C@H](C)C1	2242812898	NRXNILUJRSSUSB-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCCC(=O)C(C)(C)C)C1	2246663851	NJHZLIROPWURAY-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1CCC[C@@H](CCSc2ccccc2N)C1	2246724786	FHEATDXCCHPMNP-STQMWFEESA-N	249.423	4.577	0	10	BJAE	
CC(C)CC[C@](C)(N)CC[C@H]1CCC[C@@H](C)C1	2246733052	PHEYPTWIABJZBV-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)C1CCCCC1	2247112776	MGEQNOBYNRXBRF-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](C)(CNCC)CC1=CCCCC1	2247491452	ZJIPUUHVBIRSIW-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2=CCCCC2)CC1	2247527083	FQIPLWWQIQYGGC-INIZCTEOSA-N	232.367	4.583	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1CCC1(C)C	2248817826	XJAZJNXYEWRSHY-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(-c2cc(C)c(Cl)cc2C)ccc1O	2249085316	IUPDXMRKFCKOSR-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CCCC[C@H](NCCC)[C@]12CCCC[C@H]1CC2	2251100656	QYQIJIWLEGSADL-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@]12CCCC[C@H]1CC2	2251171845	QBZJYAVXRDFBDY-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@H]2CCC(C)(C)C2=O)CC1	2251725198	UBTSQOYRWZZOIY-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCc2cccc(C)c2N1	2253870724	ZWVSGTFVXMCVOT-OAHLLOKOSA-N	245.410	4.938	0	10	BJAE	
CC1(C)CC(=O)[C@@H](CC[C@H]2CCCCC23CC3)C1	2253878791	BFNDZSTZRDIHOF-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN(C)[C@H](C)c1ccccc1	2254584824	MANTWYMZCUOWLC-BFYDXBDKSA-N	245.410	4.506	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@@H]1CCC12CCC2	2254607317	SURBHZYZCSOJLB-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](C(=O)C[C@H]1CCC1(C)C)c1ccccc1	2254959998	LQXGNZIKQQOVOD-HUUCEWRRSA-N	244.378	4.576	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@](O)(CC1=CCCCC1)C2	2255062927	JRVYVJHAQRDNLT-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CC(=CCCCC[C@H]1C[C@@H]1C)C1CCC(N)CC1	2257238054	BIZWORWXMHWRIX-SOEBMCCKSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(F)cc1NCCCCC[C@@H]1C[C@H]1C	2257343047	VHISORGMQKNFTH-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CC[C@]3(C)C[C@@H]23)c1	2257907772	RYFNGLHFBZSEHS-ZMSDIMECSA-N	243.394	4.585	0	10	BJAE	
Cc1cc(NC[C@H]2C[C@H]2C(C)(C)C)cc(C)c1C	2258244070	ZNQGTHGQCXQHRX-GDBMZVCRSA-N	245.410	4.706	0	10	BJAE	
CC(C)(C)c1cccc(NC2CCC(F)CC2)c1	2259215000	JOBDSXJJEZJMFL-UHFFFAOYSA-N	249.373	4.677	0	10	BJAE	
C(CCCC1CC1)CCN[C@@]12CCCC[C@@H]1CC2	2260558460	ZYCZUMPOIGEKDP-IAGOWNOFSA-N	249.442	4.659	0	10	BJAE	
c1cc(C2CC2)ccc1NC[C@@]12CCC[C@@H]1CC2	2260577015	BYONBQQJUGXKJO-WBVHZDCISA-N	241.378	4.556	0	10	BJAE	
CC(C)c1ccc(NC[C@]23CCC[C@H]2CC3)cc1	2260593789	YYOQXFDDRRJDTH-DOTOQJQBSA-N	243.394	4.802	0	10	BJAE	
CC1([C@H](N)C[C@@]23CCCC[C@H]2CC3)CCCCC1	2260608469	NCFWCIFOZZEWEO-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
C[C@@H](Nc1cccc(C2CCCC2)c1)C1CCC1	2260738452	UBWSKYCPPUWXPQ-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@H](C)CC1CCC1	2298861786	OMTDBOPADRGPFN-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CCC[C@@H](CC)C1	2300675757	HVDFIPNIOFBMQS-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@H]1CC[C@H](C)CC1	2300681992	UWPWNNHFDSGOTI-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCCCC1(C)C	2300684022	PSGZIVMLFNBKKP-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)CC[C@H]1CCCC(C)(C)[C@@H]1NC	2300684858	YQIURRXKKLXVRE-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](N)C12CCCC1CCC2	2300685305	CYYFIHZUJJAXEB-PCKAHOCUSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@H]1CCC[C@H]1CCC(CC)CC	2300698621	BDKLAFRPRBOZHE-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CC=C(C)CC)[C@H]1C	2300925533	DCFTYQUZQIRHSO-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](N)(CC=C(C)CCCC(C)C)C(F)F	2300927640	XHXKGNVXJQZGCE-CQSZACIVSA-N	247.373	4.522	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC2CCCCCC2)C[C@H]1C	2301143654	WBQPVIMGFSWMRK-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CC1CCCCCC1	2301243006	YAODRKZWWPRIIZ-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CCCCCC1CC(N[C@H](C)[C@@H](C)C(C)C)C1	2301688119	HTUNUJBPBNPDTE-QRNKSROTSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)[C@@H](C)C1(C)CCCC1	2301977519	HANGOLFIZMVQQY-ZNMIVQPWSA-N	239.447	4.568	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CCC(C)(C)C1CC1	2302614637	DEUXXZRAAYEPMU-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)C2CCCCC2)C1	2302764204	VEASZZOJVRFLAD-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1CC[C@H]1C(C)(C)C	2303450145	PVLYTLLOOUXQBE-MJBXVCDLSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CCC2(C)C)CC1	2303584693	RLZDKHGYHIJIBB-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](N)[C@H]1CCCCC12CCC2	2309678446	HEHXSPXEDJIONB-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311608830	ASJXOQGPNANHEJ-FAYQHZLMSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@@H](C)CC1CC1	2313657601	AXPKWHSUMXSVEE-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@H](C)CC1CCC1	2313694731	HRQBOTGKIWCUER-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CC2CCCCCC2)C1	2317006682	HQUYBHYHGSQVOZ-CZUORRHYSA-N	248.410	4.908	0	10	BJAE	
C(CCN[C@H]1C[C@H]2CCC[C@H]1CC2)CCC1CC1	2317021191	MZWNZQIPOPVONY-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317126359	GPEPPPLHAYXEDE-AIANPOQGSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1C(=O)CCCC1=CCCCC1	2318501436	AGSYNARCAVBWAV-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CCCC[C@H]1CNCCCC1=CCCCC1	2318523288	DQEVSIUTPBZEOG-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
C[C@]12CCCC[C@H]1CN2CCCC1=CCCCC1	2318596557	AYLLHPBJDFPLTM-IRXDYDNUSA-N	247.426	4.532	0	10	BJAE	
CCCC[C@@H](C)C(=O)Cc1ccccc1C1CC1	2319148939	DDJHPWXEXWTRDH-CYBMUJFWSA-N	244.378	4.502	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCC[C@H]3C[C@H]32)cc1	2319346914	BBWVUGAEDHXUMM-USXIJHARSA-N	243.394	4.801	0	10	BJAE	
CC1=C(C)C[C@](CN)(CC2CCC(C)CC2)CC1	2320388677	SEHJGCQKOBPXJZ-IMRCBTMISA-N	249.442	4.668	0	10	BJAE	
CC1=C(C)C[C@@](N)(C[C@H]2CCC=CCCC2)CC1	2320389374	ZRTFJSHYZGCSGD-DLBZAZTESA-N	247.426	4.731	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H]1c2ccccc2NC[C@H]1C	2320458141	ZSLBMOLXCPEQOB-KBUPBQIOSA-N	243.394	4.658	0	10	BJAE	
CC1(C[C@@H](N)c2cccc(C3CCC3)c2)CCC1	2320650534	SHXYJAMIEMMEFI-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@@]23CCCC[C@@H]2CC3)C1	2321616197	LKKWFKAJJXMZDA-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)C1	2321626581	GYLVQZGVERXPGV-TTZDDIAXSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@H]2CCCC23CC3)C1	2321637985	XHMUOMHIENJDIM-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)C[C@H]2CC2(C)C)c1	2327682310	PYAUGLRSRGTJAA-BBRMVZONSA-N	246.394	4.588	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@H]3C[C@@H]3C2)c1F	2327765640	SMSFHPXKIPCDSV-YNEHKIRRSA-N	247.357	4.550	0	10	BJAE	
Cc1ccc(-c2cc(C)c3ccccc3n2)cc1C	7847464	GFEMKRPWJXQQHW-UHFFFAOYSA-N	247.341	4.827	0	10	BJAE	
CC(C)C[C@H](C)Nc1cc(Cl)cc(Cl)c1	20546357	SSBSMQOMQBANQJ-VIFPVBQESA-N	246.181	4.840	0	10	BJAE	
Cc1ccc([C@@H](C)NC2CCCCCCC2)cc1	21505321	LTXDBRBTNJVUAY-OAHLLOKOSA-N	245.410	4.759	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)C2CCCCC2)cc1	21520107	CUMGVOMEVPTVLU-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)c1sccc1C	42730424	OUMPDFAUFYDYDL-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2cccc(Cl)c2Cl)C1	70760353	ZTPGLJUVPDXSGK-DTWKUNHWSA-N	244.165	4.594	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC[C@H](CC)C1	71116779	FCFCUEBGGZYYHG-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CCCC1CCC(O)([C@H]2CCC[C@@H](C)C2)CC1	71153170	GZPKCYMRTBAVQW-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(N)([C@H]2CCC[C@@H](CC)C2)CC1	71154202	DTJQKTHJZHYNID-FYRZTWFESA-N	237.431	4.501	0	10	BJAE	
Brc1ccc(C2CCCCC2)s1	72192308	GPJLGNYDQPJERP-UHFFFAOYSA-N	245.185	4.558	0	10	BJAE	
Cc1cccc(CNc2c(C)cccc2C)c1C	83367355	DAWNUIOAEQLTTP-UHFFFAOYSA-N	239.362	4.532	0	10	BJAE	
C[C@H]1CC[C@H](Oc2ccc(Cl)cc2)C[C@@H]1C	85150233	CGIINAGPNOEFBK-MJVIPROJSA-N	238.758	4.544	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C1CCCCCC1	87947623	JRJATUYVRHIVER-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC([C@H](O)C[C@@H](C)CCC)CC1	87961255	FQUANQXGQJMLSL-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
Cc1cc([C@H](C)NCC2CCCCCC2)c(C)o1	89560093	CTCWCSYALITIKC-ZDUSSCGKSA-N	249.398	4.517	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1CCCC[C@H]1C	94984781	UPMJMJRQJSUHQH-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCCc1ccc([C@H](CC)CC[C@@H](C)N)cc1	107478963	IVLNRXCFROLFOZ-GDBMZVCRSA-N	247.426	4.650	0	10	BJAE	
CCC(=O)CC[C@H](CC)c1ccccc1Cl	107496092	BBDXWZIPFPXGLL-NSHDSACASA-N	238.758	4.593	0	10	BJAE	
CC(C)c1ccc([C@H](O)C2CCC2)c(C(C)C)c1	109787853	NIGSHYLHJNBQGM-QGZVFWFLSA-N	246.394	4.767	0	10	BJAE	
CC(C)COc1ccccc1N[C@H](C)CC(C)C	109911494	OLADUPQASKYQSB-CQSZACIVSA-N	249.398	4.568	0	10	BJAE	
CCCCCC[C@H](N)CCC1CCCCC1	124762618	JMHHRBAFUHUQKG-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CC(C)CCCNC1CCC2(CCCC2)CC1	129340915	UDFFWRCFVSKNEQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1cccc(NCCCC(F)(F)F)c1	133739785	HPWRPZCJCUWRFX-UHFFFAOYSA-N	245.288	4.564	0	10	BJAE	
CCC[C@H](C)C[C@H](CNC(C)(C)C)C(C)(C)C	162404780	XMSAYLLNLMAQBY-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
O[C@H](c1cccc(C2CC2)c1)C1CCCCCC1	167653263	KCZWBYVRRASXHX-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccccc1	196089494	RJJQPZHIBPSGBC-BHYGNILZSA-N	245.410	4.552	0	10	BJAE	
C[C@H]1C[C@H](CC[C@@H](O)c2ccccc2)CC[C@H]1C	221322307	SLBZEMVLXVXVTN-WBTNSWJXSA-N	246.394	4.573	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCC[C@@H](C(C)C)CC1	226703039	YEUFXTROBTZOMB-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CC1(C)[C@H](N)[C@H]2CCCCCCCCCC[C@H]21	227348035	BHBKEEGVZJMMPA-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCc1ccc(NC[C@@H]2CC(C)=C[C@H](C)C2)cc1	234155375	WWUOZZRUHGDIOJ-BBRMVZONSA-N	243.394	4.653	0	10	BJAE	
CSc1ccc(-c2ncc(C(C)C)s2)cc1	235062248	VVUAVJBXVUZSOU-UHFFFAOYSA-N	249.404	4.655	0	10	BJAE	
FC(F)(F)c1cccc2ccc(Cl)cc12	238574410	MINLZXVBEIZVQN-UHFFFAOYSA-N	230.616	4.512	0	10	BJAE	
CCCc1ccc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1	249722244	KHGBTOSLDQHTLF-HALDLXJZSA-N	245.410	4.876	0	10	BJAE	
c1ccc(NC[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1	250544299	YIVYCYVFMKBGGE-OAGGEKHMSA-N	243.394	4.705	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H](C)C(C)(C)C)CC1	252904248	PXKNIQBZJZMTDS-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
N[C@H](C1CCCCC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	253193721	PAQBDFZTWDZOHP-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@H]1CCC[C@@H](C)C1	300137165	LCYUNNJQCHKLLB-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1[C@@H](C)CCC[C@H]1C	300689984	JSZJNQGGXBVAMJ-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@](CC)(CN)CCCC(C)(C)C	300816513	GOWKARFXEPWFHM-HNNXBMFYSA-N	227.436	4.748	0	10	BJAE	
CCCNC[C@@H](CCC)CCC1CCCCC1	302266724	QBGQCIICCHVFOA-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
c1cc2cc(NCCC3CCCC3)ccc2s1	302300374	ZLFLAURJZHXWEG-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
CSc1cc2sccc2c(C)c1Cl	306891257	FZPGVHYNXJKILT-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(O)CCCC(C)(C)C	309992156	RXIPKHWXFRWMRR-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CCc1ccccc1C(C)C)NCC	310856805	PLSBWZNSOAOQGK-INIZCTEOSA-N	247.426	4.521	0	10	BJAE	
CC(C)CC[C@](C)(O)c1ccc(C(C)(C)C)cc1	311003313	OZBUUNGHLGNVTF-KRWDZBQOSA-N	248.410	4.628	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CNC)CC[C@H](C)C1	318016043	QSFIECRNZMGWOC-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)C1(CNC(C)C)CCCCCC1	319128556	IVNZWMINSXNQGO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C[C@@H](C)CC(C)C)CC1	328378225	YBEYVESBTBEOGP-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CCCCCC(C)C	383135869	DOBNMWMFBOWEHG-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CCC1(C[C@H](NC)C2(CC)CCCC2)CCC1	383760285	DPSSTGUAYJTXHT-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@@H]1CCCC[C@H](O)C1)C1CCCCC1	384010338	OGYICNKFTPQHAY-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](N[C@@H]1CCC1(C)C)c1ccccc1	385110029	PJFKOQPLDPYERX-JKSUJKDBSA-N	245.410	4.552	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1NC1CCC2(CCCC2)CC1	385859938	RTLWGPYHUHGQQP-ZBFHGGJFSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H]2C[C@H]2CC(C)C)cc1	387807490	JIDFTZSLWIGNEE-HZPDHXFCSA-N	244.378	4.504	0	10	BJAE	
CCC(CC)C(=O)CC1CCC(C)(C)CC1	390529605	LDHADNVLXYMFSF-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCOc1cc(C)ccc1NCC(C)(C)CC	394563306	JBFYMVGAVYUYMM-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CCc1cc2ccc(F)c(C(F)F)c2s1	396208486	GVAVDPAEJWSZST-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cc2sccc2c(C)c1C(F)F	396232473	CJYNOZBOJOIVMP-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@@H](C)C(C)(C)C	399276480	SBRRHGYJLDOCME-CJNGLKHVSA-N	247.426	4.753	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1=CCCC1)NCC	401092762	WDJNONHBICKDDU-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](C[C@H]2CC=CCC2)NC)CC1	402315584	ILFRXLZREHVSGZ-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C[C@H]1CC=CCC1	402377014	VXHYRSSJTRUHFB-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(-c2cc3ccccn3c2)cc1	616581883	JMALDAIELCASBO-UHFFFAOYSA-N	235.330	4.730	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)CCC(C)C	688361309	ZZPBJAJUITXRGH-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C1CCC([C@@H](N)CC2CC=CC2)CC1	692061946	SRTYFCKUDWSVDI-GPANFISMSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)C(F)(F)CC	692361651	BXGRDHIWNMKFMQ-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)C(C)(C)C	696631134	COAOJUYYOONAAG-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](c1ccccc1CC)C(C)(CC)CC	701202892	ARDJAVPCKUWFTE-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCC(C)(C)C(=O)C1(c2ccccc2)CCCC1	701271277	UTGJZIMNKADPJB-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
C[C@@H](Nc1ccc(C2CCC2)cc1)C(C)(C)C	702312103	IWOUJXQZIRTXDZ-GFCCVEGCSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@H](NC[C@@]1(C)C[C@H]1C)c1ccccc1	704220764	CSPXEKNEJVHUOT-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCCC[C@@H]2C2CC2)CC1	704476069	XYDSXQMDQMYUDM-MMADZMRASA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Oc1cccc2sccc12	704931420	BZIYYWSSDNZSIS-AAEUAGOBSA-N	246.375	4.859	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2CCCC23CC3)CC1	706301110	LNMDUZHOYIGDLH-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)[C@@]12CCCC[C@@H]1C2	709129259	MNAVMUWNCPFIBT-IOASZLSFSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1C[C@H]2CC[C@H](C2)C1	710869923	GZNIUECURIBNJY-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@@H]1CCCC2(CC2)C1	713105517	GFAOFQQJPMVTHY-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1CCC2(CC1)CC2	713314209	FXRMSZLXYPOIBX-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C/C=C/C[C@H](CC)c1ccc(Cl)cc1	714560121	HPVLJQMEDRLQPI-TZNOJPMFSA-N	208.732	4.800	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@]1(C)CC1(C)C	718609504	CIOMWCPCVGMZQT-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
C[C@H](NC1CCC(C(C)(C)C)CC1)c1ccoc1	1255501018	RAUBDBSRFCSIGZ-GRTSSRMGSA-N	249.398	4.535	0	10	BJAE	
CCC[C@@H](N[C@H](C)CC(C)(C)C)C(C)(C)C	1560838682	FXQPSMFSPXNLOW-CHWSQXEVSA-N	227.436	4.616	0	10	BJAE	
CC(C)(CN[C@H]1CCCCC12CCCC2)C1CC1	1621543075	GZDXHYHRRZAJRE-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1occc1SC[C@H]1CCCC[C@H]1C	1651920066	GRDRHVCYDVKMBC-ZYHUDNBSSA-N	224.369	4.506	0	10	BJAE	
Cc1ccc(CSc2ccccc2F)cc1C	1652571771	AYCMZWUJBDTVFK-UHFFFAOYSA-N	246.350	4.735	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2CCC3(CC3)C2)CC1	1876380087	MZCKEDXOUUSGQP-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CCC(=CC1CCCCCC1)CNCC(C)C	1880337994	SWUDBAWZBINJMX-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C(C)(C)CC	1900694626	APTIARIBSNGCPR-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1CCC(C)(C)C1	1902236826	TUHNRFVRPVGOFL-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCCCC[C@H]1O	1905443114	GONHRQVTUXSMTG-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1(CCC)CCC1	1905445519	QKUITHDTGWBHSS-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
C=CC=CCC[C@@H](O)c1ccccc1C(C)(C)C	1911945399	XBIVKNPTFOLROA-MRXNPFEDSA-N	244.378	4.540	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1N[C@@H]1CCC2(CCCC2)C1	1916443053	UAAYNXACNGIRPQ-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@@](C)(O)CC(C)(C)C(C)C)c(C)c1	1919876243	IPZMOKNMJUKBIV-KRWDZBQOSA-N	248.410	4.583	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H](C)C2(F)CC2)cc1	1922867386	DUZVRAASWHFIOW-NEPJUHHUSA-N	235.346	4.503	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(CO)C1CCCC1	1923909979	WLDYHBTVFLHORO-GOEBONIOSA-N	240.431	4.782	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@@H](C)C1CCCCC1	1924077335	ZYFMWJVOIGQYJE-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)c1sccc1C1CC1)C1CCCC1	1924140829	CCNLTPVQDMMMKF-JTQLQIEISA-N	248.391	4.635	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@H]1C=CCCCC1	1925738259	TXJDHBDKZKPTQY-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCCCC2)CC[C@@H](C)C1	1925797545	FZSDXXIBWVTUFB-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CNCC1(C[C@H]2C=CCCCC2)CCCCCC1	1925803224	QTHPWGCPMFZDJN-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C=CCCCC1)CC(C)C	1925892953	VCOWGFCJFIRYER-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC)CCC1(C)CCCCC1	1935626410	XWYUFPVMOBIUHB-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
Cc1csc(C(=O)CC2CCCCCC2)c1	1939456009	LLTCSVCLZPXSBX-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCCC[C@@H](CCC[C@H]1CC1(C)C)NCCC	1940871541	DPXSVFZGXIMMDG-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](NCCCCCC1CC1)C1CCC1	1941591006	HPVQAWKKJKGKCK-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1CCC1CCC1	1941690334	PNDPGOULGFASQI-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(=O)CC1CCC=CCC1)C(C)(C)C	1941791861	REIQHSCNSLDHDF-CYBMUJFWSA-N	236.399	4.764	0	10	BJAE	
CC(C)CCC[C@H](CNC(C)(C)C)C1CCC1	1942092329	BYTOAQUKVNTRDB-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H]1C)C(C)(CC)CC	1944832739	PMNIDDWGNCGJJW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)CCC1C(C)(C)C1(C)C	1946168601	HKSVESFSHRNYPT-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	1947856576	GPXURCXKYODBNI-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCNCC1(CCC(C)(C)C)CC(C)(CC)C1	1948413173	NGCQNMHGKJTBCO-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H]1CCC[C@H](C)C1	1948920232	AKPVOUKIENGTCX-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@@H]2CC23CCCC3)c1	1950668889	PVRCCFLKAZODGV-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CCCCCN(Cc1ccccc1)[C@@H](C)C(C)C	1953350439	CRCOANFTUBXDCM-INIZCTEOSA-N	247.426	4.723	0	10	BJAE	
c1ccc(C2CCC2)c(NCc2ccsc2)c1	1966032270	OFIUXXAXZDKVHI-UHFFFAOYSA-N	243.375	4.628	0	10	BJAE	
CCc1cccc(O[C@@H]2CCC3(CCCC3)C2)c1	1968357486	FHHSCAOTJJMGEE-MRXNPFEDSA-N	244.378	4.741	0	10	BJAE	
Cc1cc(CNc2ccccc2C2CC2)cs1	1969417231	WHURYZMVVMMMOF-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CCCCC1(C)C	1970178061	CSNBOIZENQIIBL-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC2(C3CCCC3)CC2)C1	1970500273	OJVNIYFAZYRXTQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CC[C@@H](C)c2ccccc21	1970821471	IGHITQNVGLCYRV-VBQJREDUSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(CC)CN[C@@H](c1ccccc1)C1CC1	1973316436	UVKJVPBXEIZYFC-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)C(C)(C)CCC	1976010083	HBZIJPLURHHSIF-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)c1ccsc1C	1978538119	FYFUFAGVJNGDKR-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(CF)cc1	1982839192	KRAHWPVCTSTKDT-LBPRGKRZSA-N	223.335	4.537	0	10	BJAE	
CC[C@@H](CNc1ccc(SC)cc1)C(C)C	1988766217	AGYVPPRDCDVQCZ-LBPRGKRZSA-N	237.412	4.503	0	10	BJAE	
CCCCC[C@@](N)(CC)[C@H]1CCC(C)(C)C1	1990093559	MIMLPJMDSGBMGO-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H](C)CCCC	1992048465	DOIUQEJKOXOYIN-HIFRSBDPSA-N	225.420	4.537	0	10	BJAE	
CC[C@](O)(CC[C@H]1CC1(C)C)C1CCCCC1	1996551143	AFBPOTWPRCBPBD-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)CC1=CCCCC1	1998379614	GLTFWLRRBFAWGF-CQSZACIVSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H]([C@@H]1CCC1(C)C)C(CC)(CC)CC	2000381614	GPEVWMKIOQDIDH-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CCCCCF)CNC(C)C	2000482886	HQUDAIXBYSOZMC-OAHLLOKOSA-N	245.426	4.711	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@H]1CCC[C@H](C)C1	2000504034	DEHCTFLPOGBJNT-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
C=CC=CCC[C@](C)(CCCC)CNCCC	2000515100	PVVLIMLKDHOPLL-INIZCTEOSA-N	237.431	4.705	0	10	BJAE	
CCN[C@@H](CCC1(C)CCC1)CC1CCCC1	2001153484	JVBJKXYYYCVNKJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2003014020	AKRVVZSUHKAKMZ-TTZDDIAXSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCCCCC1=O)C(C)(C)C	2003074806	OICWVTXBBMKDMU-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@H]1C=CCCCC1	2003105704	JKUKDKPCDOXEDA-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H]1CCC2(CC2)C1	2003222862	ZOOOJQVUEVNTMZ-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H]1CCCC(C)(C)C1	2004229034	FGFZCRJAWWZJJE-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](N[C@H]1CCCCCC1(C)C)C1(C)CCC1	2004837967	WATFEZUTGWOIIJ-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC=C[C@@](N)(CCCCCC(C)C)C1	2006608621	NCNYNKRMVAQFLE-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@@H]1CCC[C@@H]1C(C)C	2007623833	XHZQSMMSLUCEKV-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)C1(C)CCC(C)CC1	2007689063	OCVLEZUSXOVFKQ-PWUWZPNHSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H]1CCC(C)(C)CCC1=O	2009403553	DBQNFLAZKADGRG-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
C/C=C/CCC[C@H](O)C1CCC(C(C)C)CC1	2009593665	OVPMWLQXRLXHFD-MKHQPZQGSA-N	238.415	4.556	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CCC2(CCCCC2)C1	2009594842	UEXPIYSVNFAIMH-WOMSROEHSA-N	236.399	4.598	0	10	BJAE	
CCCCCC1CC(NCC(C)(CC)CC)C1	2009716014	MOAOHZCHULJVAT-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC1CC(=C2CC2)C1	2011074302	MYKXDQOIIOPGLO-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC[C@@](CNC(C)(C)C)(C(C)C)[C@@H](C)C(C)C	2012418879	IKINXOIFOLMHGZ-GOEBONIOSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCN[C@@H]1C(C)(C)C	2014544775	ZLTAVEBSRKMTER-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C)[C@@H](C)CCC(C(C)C)C(C)C	2015338195	HSEHIQWKXHTHRQ-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H](C)C(C)C)CC1	2015388471	VRGBAZPYCJQURS-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CC(C)C(CCN1[C@@H](C)CCC[C@@H]1C)C(C)C	2015393027	YZOKCNQDHSPTOG-GJZGRUSLSA-N	239.447	4.568	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cccc(F)c1C	2016146134	SVPLWIAQFMYVOO-GFCCVEGCSA-N	235.346	4.681	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@@H]1CCC[C@H](C)C1	2016148840	DGVSVDVOUUNLDV-XHSDSOJGSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CCC(C(C)C)C(C)C	2016830541	IBQCLUBZJJICOL-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)C1([C@H](O)CCC2CCCC2)CCC1	2017159172	SJYLPVQFBPZIEQ-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CN[C@@H](C)[C@@H]1CCCC(C)(C)C1	2017465554	WKMBOZZTCFNFJW-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C[C@H](O)[C@H](C)CC(C)C)CC1	2017648344	MOCSDWCIAVLZCF-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)[C@H](C)C(C)(C)C)CC1	2017653211	QHQJVHAAJADIOY-AJNGGQMLSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@@H](CC)C(C)C)CC1	2017719532	BPVLVSMZGHLZMN-CKUJCDMFSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H](Cn2cc(C)c(C)c2)CC1	2017772325	PLZJZIYTESDDFI-WKILWMFISA-N	233.399	4.711	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@H](C)C(C)(C)CC	2019196978	VECBGWYPUCIMDL-HUUCEWRRSA-N	241.463	4.959	0	10	BJAE	
CCCN(C1CCCC1)[C@@H]1CCC[C@@H](CC)C1	2019204032	SXEFYTRGPVLSPT-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CCCC1CCC(CN(CC)[C@H](C)CC)CC1	2019451112	PJYQEYLPNYRXCA-QQFBHYJXSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H]1C[C@H]1Cn1ccc2cccc(Cl)c21	2022550159	REWQOTFQKYJLCU-STQMWFEESA-N	247.769	4.731	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1C[C@@H]1C1CCCC1	2022558108	TYACNMQKBCTMQY-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC1(N)CCC(C)(CC)CC1	2022564004	UIVPQSHCMFUZOF-QRNKSROTSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H](N)CCC1CC(C)(C)CC(C)(C)C1	2024102724	VLBFYNAYDKDSFH-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](O)CCCC1CC(C)(C)CC(C)(C)C1	2024124415	PLGOCOZELXIIBC-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccc([C@H](N)CC[C@@H]2CC2(C)C)cc1	2027815821	QJZSKLXMODOPAH-HZPDHXFCSA-N	245.410	4.636	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cccc(C2(C)CC2)c1	2028561084	WXHXGBFFJAMGGL-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccc(C2(C)CC2)cc1	2028606479	WIVJLFBTSRZDHC-CZUORRHYSA-N	246.394	4.598	0	10	BJAE	
C[C@H]1CC([C@@H](N)C2=CCCCCCC2)C[C@H](C)C1	2030249709	FZRKBCKLGYZFRB-CPUCHLNUSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)[C@]12CCCC[C@@H]1CCC2	2031756382	CNBAYUJKNXXZQD-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@]2(CNC3CC3)CCCC2(C)C)CCC1	2032109397	OTRLPQMYVUBVRE-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C[C@H]1CC1(C)C	2032431990	YUJRSWALRKCQDX-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@@]1([C@@H]2CCC2(C)C)CCC=CCCC1	2033570500	KMOOUWMWCDRFSY-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)cc1C	2034260029	CQIRIVRWYSRRAS-HYVNUMGLSA-N	243.394	4.684	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCC12CCC2)C1CCCC1	2035889185	CSMSJSKCTRRGIS-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
C1=C[C@H](CN2CCCCC23CCCC3)CCCC1	2036778866	GVPLGOPABVEEFT-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
C[C@H]1C[C@@H]1c1ccc([C@H](N)CCCC(C)(C)C)o1	2037106127	ZEHVNMCVMBZWPQ-RWMBFGLXSA-N	249.398	4.619	0	10	BJAE	
C=CC=CCCC[C@H](NCCC)c1ccccc1	2038129831	AKSCUZAMVAOTNQ-KRWDZBQOSA-N	243.394	4.640	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H]1CC[C@@H](C)C1	2040143398	VESQPKGXOIATDL-ZIAGYGMSSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](CC2=CCCC2)NC)CC1	2041374963	FBTGNWFODHFEAT-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2CC3(CC3)C2)CC1	2041375618	JFHGGPOIEMOVBK-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1N[C@@H](C)c1ccoc1	2042326427	RDXGGTMZAQWJOB-IMJJTQAJSA-N	249.398	4.535	0	10	BJAE	
CC1CCC(C[C@](C)(N)C2CC3(CCC3)C2)CC1	2043540920	OWTOQKVXIPFGIZ-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CCCC2)C1)C1CC(C)(C)C1	2043547276	OTDRJBCFURNLGH-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C[C@@H]1C[C@@H]1C1CC1	2045315313	SIKHDHXSYAGEOF-FRFSOERESA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@](C)(O)c2ccccc2)C1	2045374467	LKJDQOOXDNRCRI-WMLDXEAASA-N	246.394	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C2(N)CCC3(CCC3)CC2)C1	2045386493	YBGKWGMFMMKRJF-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CN(C[C@@H]1C=CCCC1)[C@@H]1CCCC(C)(C)CC1	2046561679	IZDYXFWVCKHDCZ-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CC(C)(CC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21)C1CC1	2048467421	PMERCZGSGMKRBQ-ZSHCYNCHSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)CC1(C)CCCC1	2049789303	VMEWFCYRVSETMZ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CC1CCC2(CC1)CC2)C1CCCC1	2049851176	AGTDMJNMGMFMJU-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@@H]1CCC2(CC2)C1	2049867866	XXRKWXXVODBHEK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@H](O)CC[C@H]1C=CCCCC1	2050438322	KBNFMBDCUINGBB-DOTOQJQBSA-N	244.378	4.555	0	10	BJAE	
Cc1cccc(C(=O)CCCC(C)(C)C2CC2)c1	2050459188	UHMHVEGMXDZLJW-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@H]2CC2(C)C)cc1	2050461260	SOKTWHGAJBWPJG-HNNXBMFYSA-N	244.378	4.784	0	10	BJAE	
CC1(C)CCC(C[C@@]2(CN)CCCC23CC3)CC1	2053419599	UDZYCOZUXKOJSG-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
Cc1c(C(F)F)ccc(C(F)(F)F)c1Cl	2054892012	XKUZDDZQDCJSPA-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCC=C1C)c1ccccc1	2055670218	TWMZWOZTCCIAJB-IAGOWNOFSA-N	243.394	4.616	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)C[C@H]2C=CCCC2)CC1	2056557212	RCIHVGRICOKVHZ-LSDHHAIUSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC([C@H](C=C2CCCCC2)NC)CC1	2056875721	JRJKFQXOEVMJGY-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H]1CCCOc1ccc(C(C)(C)C)cc1	2062620650	POUFIZVJFBBIMA-UONOGXRCSA-N	246.394	4.799	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC23CCCC2CCC3)C1	2063905952	RASVGUWSOYTPAF-NJINODPHSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)CC12CCC(CC1)C2)C1CCCC1	2065286580	UEBSQZDWZIEDRI-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2065989895	IMEDNTZREMUOIL-TWMKSMIVSA-N	249.442	4.536	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)[C@@H]2CCC2(C)C)CC1	2068239555	NSOKTSAOSFJATO-ILXRZTDVSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@@H]1CCC1(C)C	2068246502	WOKDFVPIVCUSDG-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](N)C2C[C@@H]3CCC[C@H]3C2)CCC1	2069343131	WLIWKBSEUHPCSG-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@H]2CCC[C@H]2C1	2070413752	NQCCHHZTUKHVLP-VVLHAWIVSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)C(=O)CCC1CC(c2ccccc2)C1	2071414971	PRWFLEBWLAZNJM-UHFFFAOYSA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)C1(C(=O)C2CC(C3CCC3)C2)CCC1	2071930016	HJSSKSQXHASVRJ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(C[C@](C)(N)[C@@]23CCCC[C@@H]2C3)CCC1	2071951605	ZKFFCDCILVLHEP-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C[C@H]2C=CCCC2)CC1	2072697986	YDNVVFDGOYJGEV-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCC3(CCC3)C2)CC1	2072796957	UNHNRDZHANOAST-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(C[C@H]2CC[C@H](CC)CC2)C1	2072821960	PUYPCPPPDJWANQ-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2CC23CCCCC3)CC1	2072880814	ABKGTQLPXQAHAF-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccnc(C2CC2)c1	2073294980	TYUFEJIAHBEZDV-CQSZACIVSA-N	246.398	4.730	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cccc(COC)c1	2073347464	RPLNIWOAKXEPPZ-OAHLLOKOSA-N	249.398	4.604	0	10	BJAE	
CC1(C)CCC(CN)(C[C@@]23CCCC[C@@H]2C3)CC1	2074028148	FUESBBVVNPBAHP-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
c1cc(NC[C@@]23CCCC[C@@H]2C3)cc(C2CC2)c1	2074046302	JQZXYLHTZVQOIR-WBVHZDCISA-N	241.378	4.556	0	10	BJAE	
CCC1CC(C[C@@H]2CCNC3(CCCCC3)C2)C1	2074142040	OUBNJBYZAMFGLN-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C1CCC(C)(C)CC1)N(C)[C@H]1C=CCCC1	2075084754	QHDRWUDJKLGVLD-ZBFHGGJFSA-N	249.442	4.632	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@H]1C[C@@H]1C1CC1	2079300963	YXCVNHCCNXBOBY-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
C[C@]1(CC[C@H]2C[C@@H]2C2CCCCCC2)CCCN1	2079692826	FQEQORYHRCXMOO-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@H](Nc2ccccc2C2CC2)C1(C)C	2084335479	KVKRQECMXLIKAQ-HNNXBMFYSA-N	243.394	4.801	0	10	BJAE	
CCCCC[C@](N)(CC)CC[C@H]1C[C@@H]1CC	2211568296	BLDCVISUIYQDSK-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@](C)(N)CC1(C)CC(C)(C)C1	2211646976	DOCPCJVCIUUDIX-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCCC(=O)c1sc(C)c(C)c1C	2211704607	XBLWKAGRDNOVRG-UHFFFAOYSA-N	236.380	4.602	0	10	BJAE	
C[C@H]1CCCC[C@]1(N)CCCCCCC1CC1	2213576784	UTSPIMGKYSVHDG-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
N[C@H](CCCCC1CC1)C1CCCCCCC1	2214566049	SCGZPWFGRVFJTE-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC[C@@H]1C[C@H]1C	2215333775	QBLYZEMIFNCUGG-UKRRQHHQSA-N	232.367	4.543	0	10	BJAE	
CC[C@H](C)CCN[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216252309	JJDYBMGDIVBIIU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
FC(F)CCCCNC1CCCCCCCC1	2216486506	YQOFBXMPFSWZFS-UHFFFAOYSA-N	247.373	4.514	0	10	BJAE	
O=C(CCCCC(F)F)CCC1CCCCC1	2216521937	LRXZDCRVNYJREM-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
C[C@](N)(CC1CCC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218360554	DDUZCOLMGRKFSY-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1CCCC12CC2	2218728551	ZSRPRVCJBBXFHD-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1C[C@@H]2CCC[C@@H]2C1	2218736398	YGVSEWJBURFDNB-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCCCC2CC2)CC[C@@H]2CCCC[C@H]2C1	2220030998	QWEARPFTDDVDBZ-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H](CCC2CC(F)C2)c2ccccc2N1	2220653974	NXBDWVJCHDRFNG-RJZJGCCBSA-N	247.357	4.503	0	10	BJAE	
CCCNC[C@]1(CC[C@@H]2C[C@H]2CC)CC=CCC1	2220854800	YJBGQIGLVUOAHP-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1C[C@H]1CCOc1ccccc1C(C)(C)C	2220965393	ZGOJXJKJPZPVBJ-UONOGXRCSA-N	246.394	4.799	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H]2CC[C@H](C)CC2)CC1	2221643000	LEYBIOHZNXPJHO-FRFSOERESA-N	248.410	4.908	0	10	BJAE	
CC=CCCCNC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222924056	YXODATHREYRNQN-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
N[C@@H](C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCCC1	2222954973	OYCWRIAUWGZREC-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
Oc1cccc(OCCCCCCCC2CC2)c1	2223133435	VYGAGNHDHWHHAA-UHFFFAOYSA-N	248.366	4.522	0	10	BJAE	
CCCC[C@](N)(CC)CCCC[C@@H]1C[C@@H]1C	2243044411	AAYRYTXWSKTYAS-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@H](O)C(C)C	2244846827	HZETYYBZSGIDBQ-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@H]1CCCCC12CC2	2246603076	OTPWQQKJYYVGNQ-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@H]1CCC1(C)C	2247446875	XAUHFTXLXSVQTP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)CC1=CCCCC1	2247467623	XWHDGHDGZUPEKN-MRXNPFEDSA-N	238.415	4.556	0	10	BJAE	
O=C(C[C@H]1C=CCCC1)c1csc(C2CC2)c1	2248068291	HCZHUXLKNXYKKH-NSHDSACASA-N	246.375	4.555	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](C)[C@H](C)CC)cc1	2248167915	JUDSOSQIDMLRPW-CHWSQXEVSA-N	232.367	4.504	0	10	BJAE	
CC(C)=CC[C@@H](O)c1cc(C)c2sccc2c1	2248584065	SCTSXTVNDSYAGD-CQSZACIVSA-N	246.375	4.599	0	10	BJAE	
CCCCCC(=O)c1cc(F)cc(C(F)F)c1	2250127503	WWHNUGIHOHPHJI-UHFFFAOYSA-N	244.256	4.526	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)c1ccoc1	2250466844	KACHADQWONGSRP-DZGCQCFKSA-N	238.371	4.556	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)C1CCCC1	2250467538	RZOIBWIKGFCELV-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(CN)C(C)C	2250490330	IBOWKCKDMQPZQZ-CVEARBPZSA-N	241.463	4.850	0	10	BJAE	
CCNCC[C@H](C)CC[C@@H](C)CCCC(C)C	2250528287	MKJMGZWFDOXKMF-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCC1=CCC[C@]1(N)CC[C@H]1CCCCC12CC2	2253847819	BPMWKLHEVPRSCU-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@H](C)C1)C1CCC(N)CC1	2253932308	BBDYLWRAFONTJC-OBTMHIKCSA-N	249.442	4.667	0	10	BJAE	
CCNCc1cc(CCC(C)C)cc(C(C)C)c1	2254725331	BKLRUXJKVOKVSO-UHFFFAOYSA-N	247.426	4.508	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@H]2CCC23CCC3)C1	2254975188	IVWGSGHDAHSETD-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCCC1CCC1)C[C@H]1CCCC12CC2	2255222067	CJDQLVYNTHQNAL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC[C@@H]1CCCC12CC2	2255225807	LSXOLSZQXJMBGQ-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)c1cccc(NCCC2CC(F)C2)c1	2257907716	MACJZVCTCNZLKA-UHFFFAOYSA-N	249.373	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN1[C@H]2C=CC[C@H]1CC2	2259597761	HUAQCWRXBJPFHJ-IKGGRYGDSA-N	249.442	4.632	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@]23CCC[C@H]2CC3)cc1	2260576866	BFFHQGNQYAGIQQ-RDJZCZTQSA-N	242.362	4.538	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@]23CCC[C@@H]2CC3)C1	2260605140	JRHCYZLIXMEJNO-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)[C@@H](C)Nc1ccnc(C(C)(C)C)c1	2260740571	RHNXRTXDWYHNLK-GFCCVEGCSA-N	248.414	4.616	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](N)[C@H]1C[C@@H]1C=CCCC1	2261442354	GKHJNVUUALIWNW-RBSFLKMASA-N	249.442	4.523	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@@]12CCC[C@@H]1CC2	2298720886	LSCPSQCFABDVKO-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@](C)(O)[C@@]12CCCC[C@H]1C2	2300684202	RJZROUWVSLMCAN-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CC1CCCC1	2300869105	FSPMZTHOYUAAPK-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H]1[C@H](CC=C(C)CC)CCC1(C)C	2300899489	OSIRKUVMCORNOG-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C1(CC)CC1	2301146643	AMICMZRNTIVVEC-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CC1CCCCCC1	2301247905	UYJAZJJKRZKLQD-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H](C)[C@H](C)C(C)C	2301844811	SXJBVOPICMHSHR-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H](C)C1CCC1	2301910396	NMSPUKAXPKPWDF-LLVKDONJSA-N	235.346	4.550	0	10	BJAE	
CCC(CC)c1ccc(OCC(F)(F)F)cc1	2302228968	NADRJSZXFJBSDC-UHFFFAOYSA-N	246.272	4.531	0	10	BJAE	
CC[C@]1(C[C@H]2CCC(C)(C)C2)CCCCCN1	2302683018	OSYFKZQENLQTQS-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1CC[C@H]1C(C)(C)C	2303489196	DUUJOFYBMZRYNU-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303505149	DGFQEMDDVRAFOY-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@H]1CCC(C)=C(C)C1	2303590062	UVGSKDAHHLBGTB-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCC(C)(C)C2)C1=O	2304420723	PLRXBGOEOFNUBB-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C)[C@@H](C)CC[C@@H]1CCC(C)(C)C1	2304439429	JVIWMBICCSYYCH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2307823886	QDVJNFCXCRSGSR-NPJQDHAYSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@]1(C)CC=CCC1	2307905559	ZWSMMUWLBXZWTC-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)CN(CC(C)C)C1CCCC1	2307910080	WWIFFAHIPUJDLS-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1C[C@@H](CCC[C@H]2C[C@H]2C)c2ccccc2N1	2310434676	YYXGBPNELIQYGP-APIJFGDWSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2310893285	PQBKRNXSIQFOPG-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)[C@@H]1C[C@H]1C1CCCC1	2311525934	MLLMNRQMRSETMD-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
C(CCCN[C@H]1CC[C@@H]2CC[C@@H]21)CCCC1CC1	2312600757	IFWGCHCQVCFOGN-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CC1)[C@]1(N)CCCCC12CCCCC2	2313600457	QURPCZRMHGSPOH-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCc1cc([C@H](NC)[C@H](C)CC(C)C)ccc1C	2314694619	MDVKMVVQRJJOIY-RHSMWYFYSA-N	247.426	4.500	0	10	BJAE	
Cc1ccc([C@H](O)CCC2CCCCCC2)cc1	2316870652	SQLKLVFYAOJEGZ-QGZVFWFLSA-N	246.394	4.779	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H]1CCNc2ccc(F)cc21	2317951486	URELPHZRUBGYTB-OBJOEFQTSA-N	249.373	4.653	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@@H]1C)CC1CCC=CCC1	2318935967	KSTDNPUBIDMRAF-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2318994421	SDHDEKOLFVBWRT-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)ccc1C(=O)C[C@H]1CCC(C)(C)C1	2319286727	NKEZDRDRNZWDON-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@H]1CCC2(CC2)C1	2320224964	WPQBMWSILXYRGZ-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(N(C)C[C@H]2CC[C@@H]2C(C)(C)C)cc1	2320302968	MSXIVMLPYJJCII-ZBFHGGJFSA-N	245.410	4.504	0	10	BJAE	
CC[C@@](C)(CNC1CC1)C[C@H]1CCC(C)=C(C)C1	2320332008	UQUFXTGBPDNHJO-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H]2CCC(C)(C)C(=O)C2)CC1	2320408311	JGBDFJHPIPABSW-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CCCCC[C@H]2C)CC1	2320423153	KPTJXACPIQRTDC-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCCC[C@@H]3C[C@H]32)C1	2321603204	PKGUGQXPCVLMIA-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC(C)C)c1cc(C)ccc1C(C)C	2327672311	CBFDSHJHLYXAHG-QGZVFWFLSA-N	247.426	4.815	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)C[C@H]2CC2(C)C)c1	2327673004	KUWYGKLHZDPNCW-BBRMVZONSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](CC)C[C@H](CNC)c1cccc(C)c1	2328195815	HFIKBZJZLNEGTI-DOTOQJQBSA-N	247.426	4.514	0	10	BJAE	
CCC[C@H](NC1CCC(C)CC1)c1ccccc1	21812582	ZKIZHYLDXFFNTR-PREGVCBESA-N	245.410	4.696	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCCC)c1ccccc1	35575734	WVSBLCVLGAKUSA-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
c1cc([C@@H]2CCCO2)ccc1C1CCCCC1	49821838	VCZZKCMEAJAVBV-INIZCTEOSA-N	230.351	4.586	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)c1cc(C)cc(C)c1	68867162	ZNIPXQUFNNHSJH-HYVNUMGLSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CCC(Nc2ccccc2Cl)CC1	70653827	CUVKUBSJLUHGCS-UHFFFAOYSA-N	237.774	4.721	0	10	BJAE	
CCCC[C@@H](CC)CCCCNCC(C)C	70743607	GPTHRSUABGJVJS-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1ccc(CC)s1	71085882	VQNMBIPQNLHNKQ-SMDDNHRTSA-N	240.412	4.560	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(CC)CNCC	71128097	NDONCIBWANWMJH-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NC1C[C@@H](C)C[C@@H](C)C1	84974139	GINYFYJRKXBWSL-IWQYDBTJSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](Nc2cccc(F)c2)CC1	86922552	XZEJHIUXAAWTJU-UKRRQHHQSA-N	249.373	4.987	0	10	BJAE	
CCCC1CCC([C@@H](O)C[C@H](C)CCC)CC1	87961258	FQUANQXGQJMLSL-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)c2cc(C)ccc2C)C1	87988877	UVSQFWQMFQEAQO-INMHGKMJSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@@H](CC)c1cc2c(C)cc(C)cc2o1	88073999	XVIBDLQOQUNTGG-AWEZNQCLSA-N	245.366	4.500	0	10	BJAE	
CC(C)C[C@H](Nc1ccsc1)c1ccccc1	90866502	VZMXQCYVDLAVAG-HNNXBMFYSA-N	245.391	4.947	0	10	BJAE	
CC(C)(C)CC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	103989503	SAFVWWCWUNTJPO-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)c1cc(C)oc1C	103999713	MPXQQYGDWDZVHK-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
CCC(CC)(CCC(C)(C)C)CNCC(C)C	104014459	JUMJGPZDHMULSP-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
C/C=C\C[C@H](C)c1ccc(CCC)s1	107545427	RAYRWLGFVBCTPD-QZPNVGJNSA-N	208.370	4.770	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1ccccc1C	109719253	RJAPSPCKFNMUTK-ZBFHGGJFSA-N	233.399	4.601	0	10	BJAE	
CCCC[C@H](CC)c1nc2c([nH]1)C[C@@H](C)C[C@@H]2C	122435889	BYZITFSINLZKDK-AVGNSLFASA-N	248.414	4.779	0	10	BJAE	
CCCC[C@@H]1CCCCC[C@@H]1CNC(C)(C)C	155856385	FVFWPGSUJFFNQP-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc(-c2cc(Cl)ccc2O)cc1	156722833	BEOYELRPRXVACL-UHFFFAOYSA-N	246.737	4.836	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@H]1C(C)(C)C)c1ccco1	160755347	UBPLTZURMZMLER-MJBXVCDLSA-N	249.398	4.535	0	10	BJAE	
CC[C@H](C(=O)[C@@H]1CCC[C@H](C)C1)c1ccccc1	166240701	CXWXXHWVBIOQBO-IMJJTQAJSA-N	244.378	4.576	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc([C@@H](C)CC)cc1	167177924	QYNOOLJGYCFAKE-STQMWFEESA-N	232.367	4.819	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cccc(Cl)c1C	220257582	UUWCSOPUMXUQBQ-SNVBAGLBSA-N	238.758	4.657	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C(C)C)C2)c(C)c1	230985037	DPIJPFYSTZONMR-CVEARBPZSA-N	245.410	4.930	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H](C(C)C)C2)ccc1F	230994109	UWHDFUABKWWGGF-ZIAGYGMSSA-N	249.373	4.761	0	10	BJAE	
CCC1(CN[C@@H]2CCCC(C)(C)CC2)CCC1	233086809	ZYKIWJVNXAPDFG-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O	251291126	HOEYZWKIRMFDEQ-LJISPDSOSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1CCC(F)(F)C1	304161067	LOPXXIHKPLVFKI-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@H](CCC2CCCC2)C1	305895097	DFIURRHNLKUSFO-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)CCC1CCCCC1	305898073	SSZQDWPSOMIPSM-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)c1ccc(C)cc1C	307990984	JBXLKMXAWLOXLN-RDJZCZTQSA-N	248.410	4.799	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](NC)C1=CCCCC1	308075624	KQFBOSDGLITYIL-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@@H](CC2(CC)CCC2)C1	310106230	CXPQDYYFMQLOMR-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2CCc3cc(N)ccc32)C1	310767983	OHXGRWRSGFEMGF-MGPQQGTHSA-N	243.394	4.515	0	10	BJAE	
CC[C@H]1CC[C@](CCCC(C)(C)C)(CNC)C1	318060521	UPXTUJOKTIYDEK-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCOc1cccc2c1ccn2[C@@H](C)C(C)C	319584984	TYUZVHPCUUJTHL-ZDUSSCGKSA-N	245.366	4.647	0	10	BJAE	
CC[C@H](Nc1cccc(C(F)F)c1)C1CCC1	322221966	AKIKTBFCRCOMIH-ZDUSSCGKSA-N	239.309	4.615	0	10	BJAE	
CC[C@@H](Nc1cccc2c1CCCC2)C1CCC1	322505757	FNCWLUZUIJDLDJ-MRXNPFEDSA-N	243.394	4.556	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CCCCCC(C)C	383133504	DHHYNFMDGNDTSL-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC[C@@](C)(CCCCCC(C)C)CNC1CC1	383217324	DLUDIBXYXXVCBN-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@@H]1CC[C@@H](C)C1	383302867	UFFSAHJFVVKFHV-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1[C@H](N)C(C)(C)C(C)(C)C	384451870	ADNAFUQVKJTZTP-HNNXBMFYSA-N	247.426	4.711	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H](C)C(C)(C)C	384517654	JBIGKKOIMKGEND-ZDUSSCGKSA-N	246.394	4.894	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)c1ccsc1	384848579	KREUJRCDTCMJAT-HNNXBMFYSA-N	249.423	4.679	0	10	BJAE	
CCCN[C@H](c1ccc2sccc2c1)C(C)C	386511588	BYTCZSFTPMDHSC-HNNXBMFYSA-N	247.407	4.598	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC1(C)C)C1CCCC1	387566491	ZTANJXOCWMVUEW-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
Cc1ccccc1[C@@H](O)CCCCCC(C)C	394733596	IDHFMVKPVNYURK-INIZCTEOSA-N	234.383	4.635	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccsc1Cl	395638690	JCEMKCPDAQRIIX-NXEZZACHSA-N	243.803	4.782	0	10	BJAE	
CCOc1cc2c(Cl)ccc(CC)c2s1	396184362	BRKZJKUXPUAQAF-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1csc2cc(S)c(C(F)(F)F)cc12	396301107	KGOXPHZVHAZTOY-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
Cc1sc2c(S)cccc2c1C(F)(F)F	396313267	YLELTDYZFUMXEK-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)c2ccc3sccc3c2)C1	691794744	OUDUXVGCXCESFT-CMPLNLGQSA-N	244.359	4.520	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C2CCC3(CC2)CC3)C1	695665844	FBDLNXNEDUYJIN-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC1(CNC2CCC(C3CCC3)CC2)CCCC1	696076128	JSNBIIDEQMLTGJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCCC[C@@H]2C2CC2)c1	696108478	ZFZDUWIFCRLQBC-SJORKVTESA-N	243.394	4.684	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H]1CCCC[C@@H]1C	704952803	JBZWETLTMAJNMH-DZGCQCFKSA-N	227.351	4.701	0	10	BJAE	
CCC[C@](N)(CC)CC1CCC(C)(C)CC1	704971397	ICFOZZQBDVPGCD-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H](C)CC(C)(C)C	708297003	KNRVNMWEZIKAQX-HIFRSBDPSA-N	241.463	4.863	0	10	BJAE	
CC(C)Cc1cccc([C@H](N)[C@@H](C)CC(C)C)c1	708299709	WIZLVFQWNBXKQA-WMLDXEAASA-N	247.426	4.567	0	10	BJAE	
C[C@H](CNCC(C)(C)C(C)(C)C)CC(C)(C)C	709140628	GTOFBDMUBMOBGD-ZDUSSCGKSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](C)C(C)(C)CC	710025424	OUFAJBAOLVPJKD-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CCC[C@H]1NC1CCC(C2CCC2)CC1	710191084	LUNPFSBQMRAYKK-YJNKEBTESA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)CC2CCC2)CC1	710273998	CJWXGYXAQXNFJC-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
CCC[C@](N)(C[C@@H](C)C(C)(C)C)[C@H]1CC1(C)C	710738317	PCNVXJZOQQRBTO-WWGRRREGSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](CC(=O)CC1(CC)CCC1)C(C)(C)C	711186213	BDRDVWXTXGBAER-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H](C)CC1CCCC1	712526068	XJLFMXMPCGYUOC-SQWLQELKSA-N	239.447	4.760	0	10	BJAE	
C=C/C=C/CC[C@@H]1CCCC[C@@H]1CNCC(C)C	713702513	AUAFHNAKGHCASM-SDKBWNRFSA-N	249.442	4.561	0	10	BJAE	
C=C/C=C\CCC(=O)c1ccc2ccccc2c1	713735831	BYFLABXLBHKJHB-ARJAWSKDSA-N	236.314	4.545	0	10	BJAE	
C/C=C/C[C@@H](C)c1ccc(CCC)cc1	714543800	PXDUODYVMOUVBR-DIECRNLCSA-N	202.341	4.709	0	10	BJAE	
CNCC1(CCC(C)=C(C)C)CCC(C)CC1	718738661	JGPFKMRGEIURMM-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
Cc1cc(C)c(CNc2cccc(C)c2C)s1	719420557	ODBQXIDDICXWBH-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CC(C)Oc1cc(C(F)(F)F)ccc1C(C)C	725404890	DPYAHEPVKNKTIY-UHFFFAOYSA-N	246.272	4.616	0	10	BJAE	
CC(C)(C)C1CCC(N[C@@H]2CCC3(CC3)C2)CC1	1876378298	VIFXEOKYSBIFRX-YMAMQOFZSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC(C)(C)C(C)C	1900595705	BKIBAJQSZAYWPN-HNNXBMFYSA-N	227.436	4.602	0	10	BJAE	
CCCCCC[C@@H](CCC(CC)CC)NC	1900695988	IYCBULLXUBCLTA-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCC(CC)CCC(=O)C1CCCCCC1	1900713554	PZSBJHTVIUJIHA-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCN[C@H](CC)CCCC1CCCCCC1	1901062459	BZDAIARGQQRIJZ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC(C)=C(C)CCc1cc(C)c(C)s1	1902281644	GMVZIUIVCKDTIO-UHFFFAOYSA-N	208.370	4.654	0	10	BJAE	
CCCCC[C@](C)(O)SCCCCC1CC1	1904892280	YLEMOYMJQDDKBH-CQSZACIVSA-N	244.444	4.589	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN(C)CCCCCC(C)C	1910699973	LXSWNRSRYMZGFT-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
CCC=C[C@@H](C)Cc1c(F)cccc1Cl	1912037832	KNZXTPDDNPHNAR-SNVBAGLBSA-N	226.722	4.624	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@H]1CCC2(CCCCC2)C1	1915873130	UVCGTDJREYKGIN-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
O[C@]1(C[C@@H]2C=CCCC2)CCC2(CCCCC2)C1	1915892953	PBPVNKMXPPUUBX-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C[C@]1(CNC2CC2)C=CCCC1)C(C)(C)C	1916564304	OFONSGHARYXGTR-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@H](C)c1ccccc1	1920206143	YPNPTQYDBAYZLB-ZOBUZTSGSA-N	247.426	4.724	0	10	BJAE	
CC[C@H](C)C[C@@](C)(N)c1ccc(C(C)(C)C)cc1	1920461222	MDGQFFLICZIZJQ-SUMWQHHRSA-N	247.426	4.594	0	10	BJAE	
CCCN[C@H](C(CC)CC)C1CC(CCC)C1	1921275288	BJXJTUDEEMUYBI-AVVWSFFYSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1CCCC12CCC2	1921620465	PDFZODICUKRMBR-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
Cc1oc(C)c(C(=O)C[C@H]2C=CCCCC2)c1C	1925786852	RQWFNFZNIBYAHP-AWEZNQCLSA-N	246.350	4.524	0	10	BJAE	
C[C@H](NC[C@@H]1C=CCCCC1)C1CCCCCC1	1925942453	JEUHEHSQCKUORD-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1sccc1CC	1938208329	FLJIEXOJQVWORS-NSHDSACASA-N	238.396	4.710	0	10	BJAE	
CCCC[C@@H](CCCCC(C)(C)C)NCC	1939123487	XBIDSZFVIDKLNC-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H](CCC)C(C)C	1941262459	FHAFGGNYHRSWML-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CC(C)(C)CC2(CC2)C1	1943082040	IOKURRYYXKDBBO-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1946283905	HNXFKRHXBWAJLA-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C=CCCC1)C1CCCC1	1947564311	GAKOLJVNSIUHQW-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@H]1C1(N)CCCCCCCCC1	1947881354	NNYYEARUSUEEGM-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@]1(CNC(C)(C)C)CC12CCCC2	1948074910	YVUQZTCCQQPKBA-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@H](C)CC(C)C)c1F	1948329136	YKSASJHJPWQRQZ-QWHCGFSZSA-N	237.362	4.617	0	10	BJAE	
CC[C@@H](NC1CC2(CCCC2)C1)c1ccsc1	1948477026	ZXQOEGOFIFTIHH-CQSZACIVSA-N	249.423	4.512	0	10	BJAE	
CC(C)(C)CC[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948596746	RZYIJCFUMBZABA-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CCCC1CCC1	1949015408	SLCKRULBCCTMIR-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
Cc1cc([C@H](N)C[C@H]2C=CCCCC2)c(C)s1	1949125326	VQYCAVOBRIZUOJ-DZGCQCFKSA-N	249.423	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CC)CC1CCCC1	1949870301	OJNXVZPGFRPHOF-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C1(CC)CCC1	1951234536	HQDIFJFXHUROPM-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1cc(Cl)cs1	1958191666	UQESZWBQHLYAOS-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC3(CCC3)C2)cc1C	1968254334	FLMMLMJGVSXPID-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
Cc1ccc(NCC2C[C@@H](C)C[C@H](C)C2)cc1F	1968319736	BOWXWTZPJOLJOW-RYUDHWBXSA-N	249.373	4.618	0	10	BJAE	
CCc1ccc(OC[C@@H]2CCCC(C)(C)C2)cc1	1968347144	WOHGHXWXCKJECX-OAHLLOKOSA-N	246.394	4.844	0	10	BJAE	
CCCCCC[C@H](N)c1csc(C(F)F)c1	1978583602	XLAVBNOWORHDCB-JTQLQIEISA-N	247.354	4.656	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)CC(C)(C)C	1978637316	HVKAMTDMECEEIT-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)c1cccs1	1984640098	OAMXTLOOFCPUOV-MASHWEEQSA-N	237.412	4.535	0	10	BJAE	
CCCC1(CC(=O)CC(CC)CC)CCC1	1988432517	GNWQCWMSKYIMSO-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)=C(C)CNc1cc(C)c(Cl)c(C)c1	1989629295	XXWYENSWQFPZQO-UHFFFAOYSA-N	237.774	4.725	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CCC(C)(C)C	1995252944	BGIIUFAQMCFVAT-KGLIPLIRSA-N	228.420	4.780	0	10	BJAE	
C[C@H]1CCC[C@H](c2nc(C3CCC3)cs2)C1	1995468298	VTSKEDWOYXESOH-JQWIXIFHSA-N	235.396	4.704	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@H]1CC[C@@H](C)C1)CC(C)(C)C	1996247123	FXTCPEXCCHZIBV-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC)C1CCC(C)(C)CC1	1996595514	WIWPZHGRKJVLJJ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H]1CC=CCC1	1997545224	ARBRFWUWAYMFPS-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H]1CCCCC1(C)C	2000770752	JJKCCMHOGSAAAH-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CCC[C@H]1CCCN(C[C@@H](C)CC(C)C)CC1	2000905389	BIXCFPVXLSDNPX-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
C[C@@H](C[C@H](N)[C@]1(C)CC=CCC1)CC(C)(C)C	2001661043	XFSGIGZOMCDBNI-OFQRWUPVSA-N	237.431	4.523	0	10	BJAE	
CNC[C@@]1(CCC(C)(C)C)CCCC(C)(C)C1	2002992629	DGZJIRPUUZYOMY-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)CC2(C)CCCC2)C1	2003013351	GWEAJWNMMMQRMY-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
O[C@@H]1CCCCCC[C@H]1CCCCCC1CC1	2003099524	OBNOWDSLDTZZSO-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@@]1(C)C=CCCC1	2003319944	DLDKYEVVTCPQSN-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](c1cccs1)[C@@]1(C)C=CCCC1	2003322930	SEKSUSPEDRFVIC-GJZGRUSLSA-N	249.423	4.535	0	10	BJAE	
CC(C)=C(C)CCCC(=O)c1ccc(F)cc1	2003666612	SUFBQFZECAXCAM-UHFFFAOYSA-N	234.314	4.535	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC[C@H](C(C)(C)C)NC1	2003924977	HPACYVFUDFTLKA-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC(=O)C1CC(C)(C)CC(C)(C)C1	2004192692	ZSTLARXNXRWZNI-UHFFFAOYSA-N	236.399	4.764	0	10	BJAE	
C=CC=CCC[C@H](O)C1(C)CCCCCCC1	2004920002	FZCHMQMZTQABSN-HNNXBMFYSA-N	236.399	4.620	0	10	BJAE	
CC[C@@H]1CC=C[C@@](O)(CCCCCC(C)C)C1	2006652231	JZMIBJBXHOHCPT-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1(C(C)C)CCC1	2009618013	YFISCTDKXILTPY-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@H](C)C(C)(C)C)NCC	2009619055	ICRBIKRNUMHWLS-LADOHOGBSA-N	239.447	4.783	0	10	BJAE	
CCCCCC1CC(N)([C@@H]2CCC(C)(C)C2)C1	2009785499	GHGWMNAXVSNGPY-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)c1cccs1	2010724971	FPGFUJHWRBHQKN-IUODEOHRSA-N	249.423	4.535	0	10	BJAE	
Cc1ccc(NCC[C@]23CCC[C@H]2C3)c(Cl)c1	2010994721	IRGYUIHVCAEYBP-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CC=CCCCN[C@@H]1CCCC[C@@H]1C(C)(C)C	2011443891	KSPLJLNHNPRNGW-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CCC[C@H]1C[C@@H]1C)CNC	2011581158	PCBGNSWKDNTUGB-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H]1C[C@@H](C(CC)CC)CC(C)(C)C1	2012040839	FQSLEPVKNUUODD-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C)CC1CCCC1	2013264666	OXZIANYNFADERS-HOCLYGCPSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)[C@@H](C)CC(C)C	2013265102	SXCCFYVQQMUNGH-HRCADAONSA-N	241.463	4.862	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C)c1ccccc1	2013266445	GTJPVXIOCHBXEU-ZBFHGGJFSA-N	233.399	4.552	0	10	BJAE	
Cc1c(F)cc(N[C@H](C)CCC(C)C)cc1F	2013714638	PGWOIZLOZTVJEU-SNVBAGLBSA-N	241.325	4.510	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)CCCCCC1CC1	2014884938	MJRQVUPNTSQEEC-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@H](C)C(C)C	2015272576	QTVSITPJSZQSLW-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C[C@H](O)C(C(C)C)C(C)C)C(C)C	2015285601	XYWLUHXUDAMEIU-HNNXBMFYSA-N	242.447	4.594	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CC[C@H]1C[C@H]1C	2017236807	KRHAZBZAEVYSRA-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CNC[C@H]1CC[C@H](C)CC1	2017642492	IHYIHAPSRTXNBD-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCCC[C@@]2(C)O)CC1	2017716151	PZOZKXVEMSTVCW-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)C(C(C)C)C(C)C	2018076559	FXXMFLSXGYUPIZ-HUUCEWRRSA-N	241.463	4.862	0	10	BJAE	
CCCCC[C@](N)(CC)C1CCC(CC)CC1	2018131012	QWPJEOHOZFYOFT-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@H]2CC[C@@H]21	2018136289	JNGXCTVWDUAOQN-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@H](N)C2CCCCCCC2)CC1	2018917056	NCKQWRUCIAIERY-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCC[C@H]2C(C)C)CC1	2018960630	NAMTVFNEIPDREZ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@@H](C)CCC(C)C	2019193380	WITFDVUGAADSSX-JKSUJKDBSA-N	241.463	4.959	0	10	BJAE	
CCC[C@@H]1CCCCN(CCCC(C)(C)C)C1	2019327402	GKJXYQNSQNLPBN-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCN[C@@H]1[C@H](CCC=C(C)C)CCCC1(C)C	2020363235	HKZTXEBHGMLTOS-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CCCC(C)(C)C2=O)C1	2020394699	WFBMKJVIDSLUJK-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CCCCC(C)(F)F)CNC(C)(C)C	2023287261	GPNKKUDQGDBLRI-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CN[C@@H](CC=C(C)C)CCC(C(C)C)C(C)C	2023327750	MXRABBXAKGCMAL-HNNXBMFYSA-N	239.447	4.639	0	10	BJAE	
CCCCCC[C@H](N)c1cc(C)cc(C)c1C	2024058987	JYYMOYLXZFWDEW-INIZCTEOSA-N	233.399	4.582	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCC[C@H](N)C2)C1	2024091438	IOZVJLRTWSQVJM-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	2026062496	REACPKJOBAALOH-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC[C@@H]1CC1(C)C	2026147187	UNHFTSOPTJUOBF-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](c1ccccc1CC)[C@@H](CC)C(C)C	2028260641	DTUKNZPEUYJAIR-DOTOQJQBSA-N	247.426	4.582	0	10	BJAE	
CCC[C@@](O)(CCCC1CCC1)c1ccccc1	2028495496	NWEUEKDGHKSCFQ-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2C[C@@H]3CCCC[C@H]32)CC1	2028785928	HRUQJHMQHGOZDF-UIEKQHFFSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC[C@H](C)CCC(C)C)c1ccccc1	2029830411	JKXHHULBIADUIY-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CC1(C)CC(C[C@H](N)[C@]23CCCC[C@H]2CCC3)C1	2031758970	MIUSFJDGUJJYKC-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(N[C@H]2CC[C@H]3CC[C@H]2C3)ccc1C	2035047970	XMYZVVDYHKVEJP-KMFMINBZSA-N	243.394	4.548	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)c1ccc(C(C)C)cc1	2035501607	YKNVHMWVVKWRNR-NVXWUHKLSA-N	246.394	4.598	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)c1c(C)coc1C	2035533127	JRDZGSCKZUUDFL-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CCc1occ(C)c1C(=O)[C@H]1CCCC[C@H]1CC	2035538137	MIDLDMFKRKROFO-OLZOCXBDSA-N	248.366	4.550	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@H]2C=CCCC2)cc1	2035558514	CVNONXNPLDGXHN-CQSZACIVSA-N	242.362	4.739	0	10	BJAE	
CCCNC[C@@]1(C[C@@H]2C=CCC2)CCCC1(C)C	2035590682	UATWHMMICPHKEK-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCC1(C[C@]2(N)C[C@@H](C)CCC2=C(C)C)CCC1	2037104519	OVUPSXIJAYHXET-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CCCC1([C@H](N)c2ccc(C3CC3)cc2)CCC1	2037210253	VEXRUKYQCWXUPO-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCc3ccccc3N2)C1	2037699956	TYRGGSNFAZWXQE-HIFRSBDPSA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC[C@@H]1CC12CCCCC2	2039058877	PXVLMMHVTIYMRY-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@@H](N)CC23CCC(CC2)C3)CC1	2039353552	HQSAAUIFRNRMHT-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CCCC(C)(C)CC2)o1	2039356332	IROQAZVWGJOPRD-GFCCVEGCSA-N	248.366	4.631	0	10	BJAE	
C[C@H]1CCC[C@](CNC2CC2)(C2CCCC2)CC1	2039377431	VFRSMGVBCUXNLB-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2nc([C@@H]3CCC[C@H](C)CC3)[nH]c2c1	2039377678	RRFZCRSYPQDYIE-WCQYABFASA-N	242.366	4.555	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1	2039382935	DWFVBUQGFGKKKS-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(CC(NC3CCCCCCC3)C2)C1	2039459456	CFKQQVPZQJLXLO-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](C1CC2(CCC2)C1)C1(CC)CCC1	2039724835	PVXTUWDVEHVTFJ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H](C)C1(C)CCCCC1)c1ccco1	2039853130	SZEQXFOHGBPBQQ-KBPBESRZSA-N	249.398	4.679	0	10	BJAE	
C[C@@H]1CCC[C@H](C2(CNC(C)(C)C)CC=CC2)C1	2042099752	XZKJBDJPKQRTFA-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC[C@@H]1C=CCCCC1	2043187969	PTPGKZUFNDUJDJ-NVXWUHKLSA-N	247.426	4.601	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CCC1)[C@@H]1C=CCCC1	2043190961	MIMINUQOTOLOQS-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](CN)[C@@H](C[C@@H]2CCC=CCCC2)C1	2045330468	WOQNPKGHVIWZII-QBPKDAKJSA-N	249.442	4.524	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CCC[C@H]2C2CCCCC2)C1	2045523365	XTUXVLZKXUISFS-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC[C@@H]2C2CCCC2)C1	2045530437	ZQBHZLVGRBWCTN-JKSUJKDBSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C[C@@H]2CC23CCCCC3)C1	2047008310	NJAYDGCBLCSJEV-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@@H]1CCC12CCC2	2047929281	PPWRVMGLAKUBGA-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)CC1CCC2(CC1)CC2	2049859527	UAAFTTSSTBXYBW-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NCC1(CC2CCC3(CC2)CC3)CC1	2049861654	UTMVQMFKLPFLRU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1CC(CC)C1)[C@]1(C)C=CCCC1	2049999479	DCQVGYQBKGPQEM-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC[C@@H]1CC1(C)C)[C@@]1(C)C=CCCC1	2050005302	FLYGCBUKMRPXBO-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@@H](NC)C1(C)CCCCCCC1	2052480889	PUOFXDJKXJWUFU-MRXNPFEDSA-N	249.442	4.847	0	10	BJAE	
C[C@@H]1CCC[C@H]1C1(N)CCC2(CCCCC2)CC1	2055305228	XQBXSIQFOUSJMR-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)[C@@H](NC2CCC(C(C)C)CC2)CCC1	2055550389	BOAGPMICTJYJSI-JCYILVPMSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@H]2[C@H]3CCCCC[C@H]32)CC1	2059004069	UDITVXFEUSOEEN-NPJQDHAYSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1CCC12CCC2	2059221430	MZUHFQXUDMSZBU-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1c(C)oc(C)c1C	2059260137	VXJXJRMFZWPVRA-OAHLLOKOSA-N	249.398	4.602	0	10	BJAE	
C[C@@H]1CC=C([C@H](N)[C@@H]2CCCC(C)(C)CC2)CC1	2060930144	QIVQCFUJNRXLPJ-IIAWOOMASA-N	249.442	4.667	0	10	BJAE	
CC1=C[C@@](N)(C2=CC[C@H](C(C)(C)C)CC2)CCC1	2061119585	QKXPAEUHQBIRJD-WMLDXEAASA-N	247.426	4.587	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C2=CCC(C)(C)CC2)CC1	2061137077	GNSKPIIHFLJIPB-IIAWOOMASA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@]1(CNC(C)(C)C)CCCC1(C)C	2061558839	XZNVUXKSHIUIFQ-QGZVFWFLSA-N	249.442	4.692	0	10	BJAE	
CCCC1([C@H](CC[C@@]23CCC[C@H]2C3)NCC)CC1	2061571841	MZXLAWSPFPSIJI-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@]12CCC[C@H]1C2)C1CCCCC1	2061624517	YTVLYMHBSCMHGR-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063479487	CQVHFSLCAJMDRA-QKDCVEJESA-N	249.442	4.501	0	10	BJAE	
C[C@H](NCC(C)(C)C1=CCCC1)C1(C)CCCC1	2067515885	AKVVSJCAPGZREH-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)C(C)C)c1ccccc1C	2069017258	TZCLEEFZUYSUMY-PBHICJAKSA-N	247.426	4.718	0	10	BJAE	
CCC1(CN2CC[C@@H](C)c3ccccc32)CCC1	2069325689	FVRHIBIANNMOEA-CQSZACIVSA-N	243.394	4.581	0	10	BJAE	
CCNCC1(C[C@]23CCC[C@H]2C3)CCCCCC1	2070961629	DNNQMFVAFVAJIS-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CCCC1CCC(CC2(N)CC3(CCC3)C2)CC1	2072805347	BIVBHBVJWRZBEV-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCC1(CC2(N)CC3(CCC(C)CC3)C2)CC1	2074637497	WCVBRVOBIHIJSR-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C1CCC2(CC1)CC[C@@H]2N1C2CCCC1CCC2	2075007640	AUGQSTQSAYBERR-GPANFISMSA-N	247.426	4.506	0	10	BJAE	
CCN(Cc1ccc(C)cc1)[C@H](C)CCC(C)C	2075233876	RCPVMNFDMKNJHJ-MRXNPFEDSA-N	247.426	4.642	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@H]2C[C@H]2C2CCC2)CCC1	2079318639	CMGFCNXXAIUFRP-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@@H]2C[C@@H]2C(C)C)cc1	2079387597	XUOZIRFPRUWNPJ-DXEWXGHRSA-N	246.394	4.526	0	10	BJAE	
Cc1cccc(C)c1-c1cc(Cl)cs1	2080280697	BYMYDHVRGLECPK-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CC(C)=CC[C@H](N)c1ccc(C)c2ccccc12	2081778067	AUHXEVSYSCEELW-KRWDZBQOSA-N	239.362	4.504	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@@H]1CCCC2(CC2)C1	2081784787	GWNSKZGEVCQZTH-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCC3(CCC3)C2)C1	2082976436	QOYNSGSZEIODEH-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(CCCCC1CC1)CCC(C)C	2211114801	RJYWTRCCICEUDW-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](CCCCCCCC1CC1)[C@@H](C)O	2212451314	SZYIPPYCDRDRJY-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)CCCCC2CC2)CC1	2214572338	CKNZYUIVPQJJGS-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)c1cc(C)sc1C	2215459886	XJLNNTUPLYPAOU-YGRLFVJLSA-N	248.391	4.540	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@]1(C)CC=C(C)CC1	2215807739	BHFFUZQLBSITPD-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@@H](O)CCCCCCCC1CC1	2216867201	BFPWGEZUVHRGSA-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1CCCCCCCC1CC1	2216879792	NFQPEQWCQMCPKY-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@]1(CN[C@H](C)CC)CCCCC1(C)C	2217140976	KYZOSOXIFLICDX-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@H]1CC[C@@H]1C	2220517768	BYOIRZYIWOXVAQ-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@@H]1CC)c1ccco1	2220873868	HCJWFXXDMJWTAP-SOUVJXGZSA-N	249.398	4.537	0	10	BJAE	
CC1=CC[C@@](C)(NC[C@@H](C)C2CCCCC2)CC1	2221600825	KWWCOMOTUNNTPW-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2CCC[C@@H](CC(C)C)C2)CC1	2221659533	GNMJNBLHNPBCCJ-YESZJQIVSA-N	249.442	4.680	0	10	BJAE	
C[C@@H](N[C@H]1CCC[C@@H](C(C)(C)C)C1)c1ccoc1	2222269528	SAWRZQFDUMKVBL-YUELXQCFSA-N	249.398	4.535	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CCC(C)(C)C	2243067474	RKZOXDXJVOGZPW-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC(=O)c1ccc(C2CCC2)s1	2244712458	TYCPOACFOJQKDF-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CCN[C@H](CC(CC)CC)CC1(C)CC(C)C1	2246590920	NTDWFQIZDAMOSW-OGVSOVDVSA-N	239.447	4.617	0	10	BJAE	
CSc1cccc(NCCCC[C@H]2C[C@H]2C)c1	2247091204	HBBBFZXIMSALEP-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CC[C@@](N)(CC1CC(CC(C)(C)C)C1)C(C)C	2251501647	KOQKTMUIGZQZOK-ZBCRRDGASA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@](N)(CC2CC3(CCCC3)C2)C1	2254114851	NSQRAFFXQMBFGP-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@@]12CCCC[C@H]1CCC2	2254508477	BBUQDNJZYOCOEG-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC2=CCCCC2)CC1	2255090612	BMZOEUQRHSAEQI-NVXWUHKLSA-N	249.442	4.955	0	10	BJAE	
CC(C)[C@@H](Nc1cc(C2CC2)ccc1F)C1CC1	2259129937	AVMPMLSJTPKKIM-MRXNPFEDSA-N	247.357	4.550	0	10	BJAE	
CC1(C)C[C@H]1C(=O)c1cccc(C2CCCC2)c1	2260730604	LKAHPUPWEHEJIU-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CC(=CC1CC(CC(C)(C)C)C1)[C@H]1CC[C@H](N)C1	2261295575	KQQYXOAFRHDSBS-CKUJCDMFSA-N	249.442	4.523	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@H]1CCC12CCC2	2300504401	ZFBMTHSXYAXLEZ-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](CC(C)(C)C1CC1)NC	2300686450	QTDFRRWGAALXKE-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](CN[C@H](C)CC)C1CC1	2300687772	GEZSHQVQAZTBAG-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)CCC1=CCCCC1	2301922919	FJKVIJPDNKXPEI-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)CCCC1=CCCCC1	2302321752	ABNNGTUCUHZORY-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@](C)(CCCC1=CCCCC1)CNC	2302356762	QXKUOEKJQDOBFP-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
C[C@H]1C[C@H](C(=O)CCCCC2CC2)CC[C@H]1C	2302580195	QFWYQGPUZQNWTL-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CCC[C@H]1C[C@@H]1C	2302610524	WXGFMVDYHZWHKW-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CCc1cscc1NCC1CC(C2CCC2)C1	2302889659	MPCVVLKHJTURKO-UHFFFAOYSA-N	249.423	4.549	0	10	BJAE	
CC[C@](O)(C[C@H]1CCC(C)=C(C)C1)C(C)(C)C	2303525597	VRIDAPXVFWZMGU-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CC)NCC[C@H]1CCC(C)(C)C1	2304423189	PIUWVJCSLKGFAS-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(N)(CC[C@@H]1CCC(C)(C)C1)C(C)C	2304436908	URDCRGMIJNCFEJ-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CCC1(C(=O)c2cccc(SC(C)C)c2)CC1	2307559771	SYITXNJIFGFWPC-UHFFFAOYSA-N	248.391	4.560	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc([C@@H]2CCCC3(CC3)C2)n1	2307695203	PNEYJKXMCYRBLB-IJLUTSLNSA-N	247.407	4.704	0	10	BJAE	
CCC[C@H](CC)CN(CC)[C@@H]1CCCC1(C)C	2307753197	ZSQVCCLJJFWXTM-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H]2CCCC[C@H]2C1=O	2307802249	VKCAWBZZOLFHNT-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](NCC)c1ccco1	2307897927	GCNGTRDKNSHZFX-UONOGXRCSA-N	237.387	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@H](CN)C1CCCCCC1	2307929442	ZDRVUBZHFMMQHH-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1CC[C@@H]2C[C@@H]2C1	2310191618	HXJPBWJOSZFTEW-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@H]1C)c1cccc(C(C)C)c1	2310970298	PKWMZQVRDMZEDO-COXVUDFISA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2CCC[C@@H]3C[C@H]23)c1	2313072749	BGLCGNMFWQXWEB-KCXAZCMYSA-N	243.394	4.585	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@@]12CCC[C@@H]1CC2	2313291128	QKLLLZBPGXSJBS-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2313324403	TXJZDZHMNUXHHY-JHNDHUHGSA-N	246.394	4.518	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	2313599561	KXRQYSRMVQMCPS-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1ccc(C)c(CC)c1	2314713665	VTVLNXSMRMVLGJ-SJORKVTESA-N	248.410	4.663	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1CCC[C@@H]1C	2315871024	OLWIGVJRKDUSDS-XJKSGUPXSA-N	245.410	4.967	0	10	BJAE	
CC1([C@@H](N)CC2CCCCCC2)CC2(CCC2)C1	2316873851	ORSPNNRZZLXLGX-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)C[C@H]2C[C@H]1CC21CC1	2317123424	DKYQWQUGNKNVIC-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@H](C)[C@H](C)C(C)C)c1ccccc1	2317836545	VNUYLTBTFQMWEJ-ZMSDIMECSA-N	247.426	4.656	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)[C@H]1CC12CCCC2	2318537722	GMWZSXJYKBIHKQ-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)[C@@H]2CCCCC23CC3)C1	2319034146	JLSPEKZBQXDSSF-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCCC[C@H]3C[C@@H]32)CC1	2319230464	CXTJLFLWXWQRRG-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C[C@H]2C[C@H]2CC)cc1	2320375436	RYORUHGUZWRWOR-WOSRLPQWSA-N	244.378	4.819	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@H]1CCC(C)=C(C)C1	2320386910	BKOKWXDBJOVTGF-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@](CN)(CC2CCC(C)CC2)CC1	2320388678	SEHJGCQKOBPXJZ-QWFMPGPPSA-N	249.442	4.668	0	10	BJAE	
CCCN[C@@H](C)CCCc1cccc(C(C)C)c1	2320635017	ZIILPHLDBSFWOZ-HNNXBMFYSA-N	247.426	4.521	0	10	BJAE	
CCCC1CCC(N)([C@@H](CC2CC2)C2CC2)CC1	2320767072	ZDGWSSFFROYOHK-PWZRNIHTSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@]1([C@H]2CCC[C@H](C)C2)CC=C(C)CC1	2326705467	ZJTNMSXVTGBOGH-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@@H](C)c1ccccc1	2328264660	DJIFGQBISWGKBE-YQQAZPJKSA-N	247.426	4.595	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cccc(Cl)c1	20564212	GDFWWWWZHXRRHS-WCQYABFASA-N	239.790	4.967	0	10	BJAE	
CCCC[C@H](CC)CNC1CCCCCCC1	21798674	UVLZENLOEGUOLP-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@@H](NC)c1ccc([C@H](C)CC)cc1	35469007	BNBIPRJIDPWRLY-CZUORRHYSA-N	233.399	4.651	0	10	BJAE	
CCCCC[C@H](NCC)c1ccc(CCC)cc1	35550327	LEBSZXBTLDOQQQ-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CCCC[C@@H](NCCC)c1cc(C)ccc1C	35581567	PGHIITFBRUZIPC-MRXNPFEDSA-N	233.399	4.534	0	10	BJAE	
CC(C)[C@H](Nc1ccccc1F)c1cccs1	37211229	WYBQEHSDHOSEET-AWEZNQCLSA-N	249.354	4.696	0	10	BJAE	
CCCC[C@@H](C)NCc1csc2ccccc12	54463706	KDUAIJPJLHTIRB-GFCCVEGCSA-N	247.407	4.570	0	10	BJAE	
CC(C)c1ccc(C(C)C)c(C(F)(F)F)c1	59159013	HMSGVQACUUHJFY-UHFFFAOYSA-N	230.273	4.952	0	10	BJAE	
c1ccc2c(OCC3CCCCC3)cccc2c1	70244211	LHMQUBLUOCWBJL-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1ccc(Cl)cc1	71085890	IHNVZPHFZJCCNK-SMDDNHRTSA-N	240.774	4.590	0	10	BJAE	
Cc1cc(C)c([C@@H](C)c2ccccc2)c(C)c1	75841787	NVOWILAMPVSBDF-HNNXBMFYSA-N	224.347	4.764	0	10	BJAE	
C1CCC(CCN[C@@H]2CCC[C@H](C3CC3)C2)CC1	81635600	HFGBSYTYIPYZPM-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(N[C@H]2CC[C@@H](C)C[C@@H]2C)c1C	85085464	CXWUPGRLXVIMMY-ZLDLUXBVSA-N	231.383	4.540	0	10	BJAE	
CCC[C@H]1CCC[C@H](Nc2cccc(F)c2)CC1	86922551	XZEJHIUXAAWTJU-ZFWWWQNUSA-N	249.373	4.987	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1cscc1C	87288196	GRINEBBGPGIFQK-GXTWGEPZSA-N	240.412	4.696	0	10	BJAE	
CCCN[C@H](CCC(C)C)c1cscc1C	87288852	XLBIVLLPPCCJQL-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
Cc1cc2ccccc2n1C/C=C/c1ccccc1	104284833	FUFUJXSICYGNIW-JXMROGBWSA-N	247.341	4.663	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@@H](C)CCC)NC	126042438	UTICBKHXGJVUSG-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCC[C@@H](CC)C1	127910000	STLUXSYDEYMZHQ-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCC1CCC(c2cc(F)cc(F)c2)CC1	139124184	KHJBIOPDYODABS-UHFFFAOYSA-N	224.294	4.649	0	10	BJAE	
CCCCCCC(=O)c1cc(Cl)ccc1F	165086668	MLKPMRFYLZLHFC-UHFFFAOYSA-N	242.721	4.632	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1cc(C)oc1C	167103646	YOQJTEQJVFDVCC-HIFRSBDPSA-N	238.371	4.536	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc(C)c2ccccc12	167196293	DJXSSABABNYLOG-LBPRGKRZSA-N	240.346	4.767	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CCCc2occc21	226005346	ZMVAMBVCKKKJCL-UKRRQHHQSA-N	249.398	4.606	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1C	227002500	DQGDYMJXPJHRRV-XNRPHZJLSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](N[C@H]1CC[C@@H](C)C1)c1ccccc1	228910995	YUPNPTJGNHRFKY-PVAVHDDUSA-N	245.410	4.696	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1cc2ccccc2s1	229339401	PPSUVWNPDQQTLO-GFCCVEGCSA-N	248.391	4.761	0	10	BJAE	
CC(C)(C)CC[C@@H]1CNc2c(Cl)cccc21	232492985	FTJQJSIMTYGNRN-SNVBAGLBSA-N	237.774	4.675	0	10	BJAE	
CC1CCC(c2c[nH]c3c(F)cccc23)CC1	232822629	RLUQNJKHYYSGDT-UHFFFAOYSA-N	231.314	4.601	0	10	BJAE	
CCC(CC)CC(=O)c1ccc(C)cc1Cl	232851481	ZQFZUPAKKRSAOE-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCCC[C@H]1C(C)(C)C	251324242	MHORASMJNLOPPW-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H]1CCCC(C)(C)C1	251889990	VXQZZPZSDRCHJG-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@H](O)c2ccccc2)C[C@H]1C	251900150	SLBZEMVLXVXVTN-ANQUJSFKSA-N	246.394	4.573	0	10	BJAE	
Cc1cccn2cc(-c3ccccc3Cl)cc12	253589324	CAXSRQWCWGQNSY-UHFFFAOYSA-N	241.721	4.568	0	10	BJAE	
CC(=O)Cc1ccc([C@@H]2CCCC(C)(C)C2)cc1	258389368	SJQOQMIHJMFIIB-MRXNPFEDSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@H](C)CC(C)C	300947891	PJDKATRPICCWNK-QLFBSQMISA-N	228.420	4.636	0	10	BJAE	
CC(C)CCCCCCNC[C@@H](C)CC(C)C	302265530	CITQESCELZNMPT-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
Cc1ccc2c(ccn2C[C@@H](C)CC(C)C)c1	302418917	UCQSOLXUAQILOG-AWEZNQCLSA-N	229.367	4.632	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)c1ccc(C)cc1	306001298	KWCOZYGUUUDDRG-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@@H](CC)CC(C)C	308095876	MJFSPTQLCDKTNK-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCC/C=C(\CCC)CNc1ccccc1	309059489	XPDFKSJDZBYTFC-GXDHUFHOSA-N	217.356	4.625	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C1(C)CCCC1	310070572	VNDLKSYBBURSHI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H](C)CNc1cccc2ccccc12	310200838	ATPNIODDYLLXRF-ZDUSSCGKSA-N	227.351	4.544	0	10	BJAE	
CC(C)C[C@H](C)N[C@H]1CCCC12CCCCC2	313031233	JBPGYPQHPKAROI-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C[C@]1(C)CCC[C@]1(C)O)C1CCCCC1	313103853	HZVJJPHJBTUQMP-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NCCCC(C)(C)C)C1	313273741	SPKBHWPAJHBZJY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)CC1(CNC2CC2)CCCCCC1	317563592	KKSSBQBMUBPIBR-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](N)C[C@H](C)C(C)(C)C	383353973	FDYIWQOWIIPVNK-GJZGRUSLSA-N	241.463	4.993	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)c1coc(C)c1	385944366	WRVVPHFKLNINES-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
CC(C)[C@H](C)CNc1cc(Cl)cc(Cl)c1	389909318	IOGZZXHUPFFYGF-SECBINFHSA-N	246.181	4.697	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCC(C)(C)CC(C)C	391159571	AXSRINQQJDIKCJ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C1CCCC(CCN[C@@H](C2CCC2)C2CC2)CC1	394563520	HFAQQAUKTABGDY-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CSc1c(F)ccc2scc(C(F)F)c12	396234064	FTIQSOUXZGANHU-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1cccc2c(C)c(C(F)(F)F)sc12	396312582	YOYHLYUKGPYJKH-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CSc1ccc(C(F)F)c2cc(C)sc12	396403704	IUAHQDWSWASHQU-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C1CCC1)C(CC)CC	398645732	CKDVXSUWJYQFMV-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC1=CCCC1)C[C@@H](C)CC(C)(C)C	401087701	SFXKZMSTUJXNSW-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CCC[C@@H]1C[C@H]2C=C[C@H]1CC2)NCC	402139009	ICIKKNGJLSTTAV-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC([C@@H](N)CCCC2CCC2)CC1	688355279	GMSNDGNKXKQCRQ-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CCCC2CCC2)C1	688356475	OGKRMLLEYVPARA-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H](C)CC1CCCC1	689793787	USHRWZXPAKSRSO-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
Cc1cc(NCC2(C)CCC2)cc(C)c1Cl	690249322	NLSBBCVPXAYHDA-UHFFFAOYSA-N	237.774	4.559	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC23CCCC3)cc1	694400600	DQJNSKNTXYOCQG-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)c1ccc(C)cc1C	695098032	JXJQUVUKTFLUOD-GJZGRUSLSA-N	247.426	4.779	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccc(C)c(Cl)c1	696657832	HLDUNVKKYMHISR-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1	699803756	VUGVKJXGMWQPPL-HUUCEWRRSA-N	244.378	4.675	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)CC1CCCCC1	704471612	JBWUBCWZZUUWNQ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@]1(N)CCCC[C@@H]1C(C)C	704947716	JMOYFFWWKAFFOG-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@H](C)CC(C)C	708266145	VLXOQNNNSNBKTQ-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](C[C@H](N)C(C)(C)C1CCC1)CC(C)(C)C	709203622	UBBIKJGYRUOXRM-JSGCOSHPSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc([C@@](C)(N)C[C@H](C)C(C)(C)C)cc1C	710757353	IBNIZHNKANQKKN-YOEHRIQHSA-N	247.426	4.550	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C12CCC(CC1)C2	711073003	NDOSFEFDCSWMBG-HWOWSKLDSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)(C)C)CC(C)(C)CC	711182504	JMCNRFNUGRWHIU-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1cccc(Cl)c1	711324893	FDWYNGIHNDUKFH-CYBMUJFWSA-N	240.774	4.590	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@@H]1C[C@H]1C1CC1	712897730	ARVJTLULNIWMQS-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CC(C)(C)CC[C@H]1C	713094894	SCFCPFBRRZNZRU-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCc1ccc([C@@H](CC(C)(C)C(C)C)NC)cc1	713141146	MWAMKPNLTHVJBE-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
CC(C)C(C)(C)CNc1cccc2c1CCCC2	713173905	DAPYLEIMLQQTBJ-UHFFFAOYSA-N	245.410	4.660	0	10	BJAE	
CCNC[C@]1(CC(C)(C)C)CCC[C@H](CC)C1	713298885	QTNZWXDPCNSRQR-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C/C=C/C[C@@H](CC)c1cc(C)c(C)cc1F	714545806	CLOZIFBOINQAPJ-VUDGCMKMSA-N	220.331	4.902	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCC(C)=C(C)C)NC	718573326	PCFHQCMYMWEMCQ-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CNC(C)C)CC1(C)C	718653034	WFNVBGBWGSROKS-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@@H]2[C@@H](C)CNC23CCCCC3)CCC1	721043671	DVJFZTVOCYRKJQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](NC)C(C)(CC)CC	721663753	OREPJDOXEPHJFW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C[C@H]1CC12CC2	723180653	AKSFIZIEKXVATE-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CC[C@@H]2CCCC[C@@H]2C1	723604526	DYGJNYOAHZHBHE-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC)CCC(NCC2(CC)CC2)CC1	1474033441	MABQDPWGUWISEQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)CS[C@@H](C)c1c(F)cccc1F	1613626928	DDVHYOMTZXJCRY-ZJUUUORDSA-N	244.350	4.805	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCC(F)(F)C1	1885364119	ISSCZOPNHIKSET-KXMPLOMGSA-N	202.288	4.558	0	10	BJAE	
FC(F)=C(C1CCCC1)C1CCCC1	1886663024	MCFHLMNEGAZOGG-UHFFFAOYSA-N	200.272	4.517	0	10	BJAE	
Cc1ccc(O[C@H](C)CC2CCC2)c(Cl)c1	1899409173	KIEHXPJIJZURRC-LLVKDONJSA-N	238.758	4.606	0	10	BJAE	
CCC(CC)CCC1(N)CC(CC)(CC)C1	1900718239	SKJAMRHUVMZEFQ-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc2oc(-c3ccsc3C)cc2c1	1901898246	JMBCZAPHBYTAAD-UHFFFAOYSA-N	228.316	4.778	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC1(O)CCCCCCCC1	1906891812	NWKPRULULWRSJK-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCC1CCC(C(=O)CCC[C@@H]2C[C@H]2C)CC1	1908546464	FOFGHERJOQWZLC-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CCC[C@@H]1C[C@@H]1C	1908563930	GTHJVZYVRCKAEB-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
C=CC=CCCCCCc1ccccc1	1911782885	KRRZUDRAXQBGKC-UHFFFAOYSA-N	200.325	4.532	0	10	BJAE	
ClC=CCNc1cccc(-c2ccccc2)c1	1911887764	YLEQGYCMHWVANO-UHFFFAOYSA-N	243.737	4.518	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2CC3(CCCC3)C2)C1	1912603444	FFCMAYNNYBXVGX-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)CC[C@@H]1CCC(C)(C)CC	1916007611	WBNIDHQSMJPHDY-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@]1(CNC2CC2)C=CCC1	1916380733	QVEWUSIHNUFCGA-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H]1CCC[C@H](C)C1	1920200393	COELMKHMYLTRHV-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@@]12CCCC[C@@H]1CCC2	1921445148	GKHAQFGXVKSFIW-JKIFEVAISA-N	248.410	4.742	0	10	BJAE	
CC1CCC(C[C@@H]2C=CCCCC2)CC1	1925820035	NWYFEWQSERCHDB-SHARSMKWSA-N	206.373	4.949	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCCC1)c1cccs1	1925931603	BMSOZVRQEQUTKK-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CCC(CC)CC(=O)c1cccc(CC(C)C)c1	1926145724	RTLMWIAFVYAYMC-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CC1CCC(C=C2CCC(C)(C)C[C@@H]2CN)CC1	1927147718	PPHVQTHJOAYROU-ZBCRRDGASA-N	249.442	4.524	0	10	BJAE	
Clc1ccc(Cl)c(C[C@@H]2C=CCC2)c1	1932592709	LJVIKQQTVPQJHY-SECBINFHSA-N	227.134	4.502	0	10	BJAE	
CCCC[C@H](C)C(=O)c1sccc1C1CC1	1937041209	JXAKTKVXJICIOY-JTQLQIEISA-N	236.380	4.635	0	10	BJAE	
Cc1cc2ccccc2n1CCCC1(C)CC1	1940881390	FDTOLBPIWNMVJN-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CCC=C(C)C)NCC	1941272535	LSDIYBZKYUUPID-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCC[C@@H](C(=O)C[C@H](CC)CC(F)F)C(C)C	1941274244	YMFVJSLZKWGOFH-NWDGAFQWSA-N	248.357	4.699	0	10	BJAE	
O[C@@H](CCCCCC1CC1)CC1CCCCC1	1941575488	NMRQOHLHSQNKRJ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CCCC1C[C@H](C)C[C@@H](C)C1)NC	1944203772	OPEAAPJURCMCQL-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2C=CCCC2)cc1	1947575529	IGQFMVBNTKTMQK-CQSZACIVSA-N	229.367	4.578	0	10	BJAE	
CC1(C)CC[C@H]1NC1CCCCCCCCC1	1947880409	GAAAKRBMOXPSBQ-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CC12CCCCC2	1950612742	NVMUBGNXHJSVMS-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@]1(CC(C)C)CCC[C@@H](C)CC1	1950923255	SLPDROJDLDLBKV-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC=CC[C@@H](CC)c1cc(F)ccc1OCC	1951308757	MZOUIHFOILMSHO-GFCCVEGCSA-N	236.330	4.684	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC(C)(C)C)CC1	1976342915	QZXCEIVGPMJAOS-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC(=O)C[C@H](C)C1	1982565518	GKOSRYXQCITUCP-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(NCCC(C(C)C)C(C)C)cs1	1988258294	BUVGEWVDLDGTLK-UHFFFAOYSA-N	239.428	4.787	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cc(Cl)ccc1C	1989819738	VNLKSBVJQIYZRW-LLVKDONJSA-N	239.790	4.885	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1sccc1C	1995253075	CQBMWKODVCNVEE-DGCLKSJQSA-N	240.412	4.696	0	10	BJAE	
CCC[C@H]1CCCCN(CCC(C)=C(C)C)C1	1995751535	KHOACUJHWWWTQF-INIZCTEOSA-N	237.431	4.635	0	10	BJAE	
CC(C)=CCCN(C)[C@@H](C)C1(C)CCCCC1	1995969435	CYMYBWTWFITCHE-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccccc1SC1CC1	1996551026	ZDHQEKKSJWZJKG-VXGBXAGGSA-N	249.423	4.788	0	10	BJAE	
CC(C)CC[C@@]1(N)CCCC2(CCCCC2)C1	1996648402	ZDXZASQPQZKRCB-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](NC)C(C)(C)CC)CC1	1997104175	JCVHGXCWVMIEPB-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCC2(CCC2)C1	1998693769	PSQHVHLYDCDAFN-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(C)c(O[C@@H]2CCCC(C)(C)C2)c1	2000108380	ZBPWZBVIYYQIOH-CQSZACIVSA-N	232.367	4.651	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)[C@@H](C)CCC(C)C)C1	2000190293	LMCZHQHQKMGBQE-QEJZJMRPSA-N	236.399	4.620	0	10	BJAE	
CCC(CC)(CC)[C@H](CC[C@@H]1CC1(C)C)NC	2000324184	QFCBXFYRFJKDNE-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C1(C(C)C)CCC1	2000373964	UBIDVLVIFZQLPO-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CCCC1(C)CC1)CNC(C)C	2000522587	HADZQFVOMKQJLM-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1CC12CCCCC2	2001250172	KDVIFTHHXDSMLH-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C[C@@H](C(F)F)C(C)(C)C	2002439294	ZBLWVIULDSTDGF-DCAQKATOSA-N	248.357	4.555	0	10	BJAE	
CCC1CCC([C@](C)(O)[C@@H](C)[C@@H](C)CC)CC1	2002929333	LJFQCOIQEJZDNB-RKVQBDSKSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)[C@]1(CNC(C)C)CCCCC1(C)C	2005598530	WCCZMJDRCFJHTM-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(O)CCC2(C)CC2)C1	2009544043	LYFBGLRGKOKRRU-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCCC[C@H]2C)C1	2009716360	SAJJYVMSAKGOFN-LMPOIIKSSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)C1=CC[C@@H](C)CC1	2010622068	CXCHIQTTXCGTLN-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C1=CC[C@H](CC)CC1	2010711934	FHWZRTXJSCGFHO-DZKIICNBSA-N	238.415	4.700	0	10	BJAE	
C[C@H](C[C@@H](N)C1=CCC(C)(C)CC1)C(C)(C)C	2010761029	FBCGQYRIEVPQOQ-TZMCWYRMSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(C)C[C@](CC)(CNC1CC1)C(C)C	2012416010	GVAFBHBEKWPSIN-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC1CC2(CCC2)C1	2013271687	UXISKAANPCLZBZ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(O)C2(C)CCCC2)C1	2014329011	MQSRDZGWLMWASC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)C[C@@]1(N)CCCCC12CCCC2	2015401088	SHWICPVRGJSUIU-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CC1(CC)CCC1	2015595571	MZQIATBHKQPXOQ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)NCC1(CC2CCC2)CC1	2015792590	IXZXSMNXVGNOPZ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)c1cc2ccccc2s1	2016441779	IQKQPOIFRSDWCE-MEBBXXQBSA-N	244.359	4.520	0	10	BJAE	
CCCCC[C@H](CC1(C(C)C)CCC1)NCC	2017140604	JGJJLPRCSCDDCK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
S=c1cc[nH]cc1-c1ccc2ccccc2c1	2017186735	ZXIRHWDLOAFBQP-UHFFFAOYSA-N	237.327	4.564	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)[C@H]1CC[C@H](CCC)CC1	2017655313	LZWZRDQHBBIHGM-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C(C)C)C1CCC1	2018128181	WRPZXSLHIXFJDE-HOTGVXAUSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@@](O)(CC)CCC[C@@H]1CC1(F)F	2019567871	APQWJUWGWWKQHK-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCCC(C)(C)C1)C1CC1	2024093762	DTNKFYBMXSQTQV-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]1CCC(C)(C)C[C@H]1CCC(C)(C)C	2024120750	YXSSUBSWYXMXBD-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@](C)(O)C2CCCC2)C1	2024124069	OEYNXAXPSYRNTI-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@@H]1CCCC(C)(C)C1	2024124658	QOVWPBYAGWSMHS-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C(=O)c1ccc(-c2ccccc2)s1	2025598031	UAGRJTLYRZXZJZ-NSHDSACASA-N	244.359	4.644	0	10	BJAE	
CC(C)=C(C)CCC[C@H]1C[C@@H]2COC[C@H](C1)C2	2026055056	DTHGXWBECYEPER-PHZGNYQRSA-N	236.399	4.576	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@@H]1CCC1(C)C	2026170144	NQXXIVSWTXGMSN-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(CCCC1(C)CC1)c1ccccc1	2027834972	YCYSYOWDEHHAMA-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(F)c1cccc(N)c1	2027938795	FYDSTQLNFDNZQJ-UHOFOFEASA-N	249.373	4.670	0	10	BJAE	
CCCC[C@H](NCCC)c1ccccc1C1CC1	2028549141	KJQYTGGBRPMZLI-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
C[C@H](C[C@@H](N)c1ccccc1C1CC1)C(C)(C)C	2028561271	YQQBUFMBNHCOJW-MLGOLLRUSA-N	245.410	4.636	0	10	BJAE	
CC1(CCC[C@H](N)c2ccc(C3CC3)cc2)CC1	2029077854	KJNXCZGUHXDWSD-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCC[C@H](NCC[C@H](C)C1CC1)c1ccccc1	2032227355	YPPOLCWAIYRKDM-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H](Nc1ccccc1C1(C)CC1)C1CC1	2032243493	VYNKRNORGUAJKS-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)[C@H](C)C1CCC1	2035600865	QNUBFPKFSMZMDS-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
N[C@]1(CCC2=CCCCC2)CCC2(CCCC2)C1	2037169012	OEIPCQRQQRJIKP-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CCCC(C)(C)[C@H](NC)c1coc2ccccc12	2040721292	LEPXOCUCAWHLLL-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CC(C)(CCNC1CC1)C[C@H]1CCC=CCCC1	2045329696	PZNXPKVMBWTVPG-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@](O)(CC1(C)CCC1)c1ccccc1	2046902811	OXSBCPPLCUHTSQ-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CCC1(C)CC([C@H](N)C[C@@H]2CC23CCCCC3)C1	2047006337	ABBMODMIMDJMGV-LVDPKSTMSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1CC12CCCC2	2047051503	FTTZONZAWBRACJ-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
O[C@]1(C[C@@H]2C=CCC2)CCCCC12CCCCC2	2047597280	UGVZHXZFEXTGEX-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@H]1[C@H]2CCCCC[C@H]21	2048369552	FRORCKIETCXUOO-AYDFFVQHSA-N	248.410	4.598	0	10	BJAE	
CC[C@@](N)(C[C@H]1CCC2(CC2)C1)C1CCCCC1	2049849639	RTRCWDLFKQKAGM-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(N)C3CCCC2CCC3)C1	2050012540	RZGVVGQGPDIGEE-PYIVJVRMSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H]2CCCC(C)(C)C2)cc1	2050427860	CQNDSAKIBWOODE-ZBFHGGJFSA-N	245.410	4.601	0	10	BJAE	
CN[C@H](C[C@H](C)CCC(C)C)c1ccc(C)cc1	2050441436	MZVUDNMGAONNMG-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
C[C@@H](N[C@@H](C1CCCCC1)C1CC1)C1(C)CCC1	2052354052	TVPWLSNKFFAJBI-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@@H]1C=CCC[C@H]1C)C1CCC(C)(C)CC1	2055574509	VZHGFGBPLBEICA-IIAWOOMASA-N	249.442	4.536	0	10	BJAE	
CCN[C@@H]1C[C@H](CCC2=CCCCC2)CC[C@@H]1C	2055587933	NSNFZDXTULURNO-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@H]2CCC=CCCC2)CCC1	2055599609	OMZCJVDUIHUEEK-DLBZAZTESA-N	247.426	4.731	0	10	BJAE	
CC1(C)CC[C@@H](CC2CC(C3CCC3)C2)C(=O)C1	2056666007	LDFRGUJLMFMRBP-BLZCZZARSA-N	248.410	4.598	0	10	BJAE	
OC1(C=C2CCCCC2)C[C@H]2CCCCC[C@@H]2C1	2056861933	DHKYSTMMNBATSN-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1NC[C@@H](F)C1CCCC1	2058032695	YXPCRQDCYKDZFO-OAHLLOKOSA-N	249.373	4.579	0	10	BJAE	
CC[C@H]1CC=C([C@@H](NC)C2CCCCCC2)CC1	2061097413	BQNCHRHKNDAVDT-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC=C(C2(N)CCCCCCCC2)CC1	2061116222	NWILFPYNYMRZFF-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
C=C=CCCCC[C@@H](NCCC)c1ccccc1	2061562267	BCIUQVNEQVMFKL-QGZVFWFLSA-N	243.394	4.629	0	10	BJAE	
CCCN[C@H](CC[C@]12CCC[C@@H]1C2)CC1(C)CC1	2061637687	LKVFAAZSCVWHNX-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
O[C@H](CCC1CC(=C2CC2)C1)CC1CCCCC1	2061693880	MAOWLUJUFGHCMI-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
C1CC(=C2CC(C[C@H]3CCOC4(CCC4)C3)C2)C1	2061729185	SZNCCWAUUDOTSY-CYBMUJFWSA-N	246.394	4.616	0	10	BJAE	
CN[C@H]1C[C@H](CCC(C)=C(C)C)CC2(CCC2)C1	2063627016	DJMASNXNTKMKIH-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CC(=O)CC2(CCC2)C1	2063719197	CCVPTSHOOCVJOZ-FMKPAKJESA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCC1(CC2CC2)CCC1	2069505657	RCHMYLHQDBHBMA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H](C)c1ccccc1	2070303459	HNIYCEOHDSUDPH-RDJZCZTQSA-N	245.410	4.644	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2071920779	ADELTBBAXSOYPH-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2C[C@@H](CN)C2(C)C)CC1	2072812250	KGSWUBUMGIVBEX-DZKIICNBSA-N	249.442	4.524	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H]2CCNC3(CCCCC3)C2)C1	2074133245	KUMZJKOTKCWMBI-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)C[C@]12CCC[C@H]1C2	2074653640	QFUGMAMDCOWOLS-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C2CC3(CCCC3)C2)C1	2074891607	IDMISHLZOFYNAB-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC[C@@H]1C[C@@H]1C1CC1	2075809835	BUTLRNGZVRSZLC-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H]1CCNC2(CCCCC2)C1	2079705661	INOGTTVFKDZNID-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H]1C[C@@H]1C(C)(C)C)C(=O)c1ccccc1	2079845645	ZEYQHDMDOSHBEQ-SNPRPXQTSA-N	244.378	4.578	0	10	BJAE	
N[C@]1(C2=CCCCCC2)CCC[C@H]2CCCC[C@H]21	2081123309	QNLBSCNJTIJZRU-OIISXLGYSA-N	247.426	4.565	0	10	BJAE	
N[C@]1(C2=CCCCCC2)CCC[C@@H]2CCCC[C@H]21	2081123311	QNLBSCNJTIJZRU-UAGQMJEPSA-N	247.426	4.565	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCC[C@@H](C)CC1	2081947112	ORWPWBJGJYGDJJ-IUODEOHRSA-N	249.373	4.769	0	10	BJAE	
C[C@H](C[C@H]1CCCC(C)(C)C1)c1cccc(N)c1	2082975996	NJXMNPYGJGFBIL-ZIAGYGMSSA-N	245.410	4.979	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC1CC(=C2CC2)C1	2086055803	CUQUQHZWEQNCFF-GUYCJALGSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H](C)NCCCCCCCC1CC1	2212460948	GQRXSKSAWCNYJX-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC[C@H](C)[C@H](O)CCCCCCCC1CC1	2212463006	OZPPWPGMFVCDKS-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)C=CCCCC1	2213570872	ADQKYTOVNRMERF-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)CCCCCCC1CC1	2213578788	PXNGVJBBXZDJIF-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CCCCC2CC2)C1	2214578138	DPMQSHXFNIWTEC-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCC(N)(CC)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216761812	ONLLNLPNAMYFHH-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC1(C(=O)CCCCCCCC2CC2)CC1	2216863244	OTANJSPEXIYECJ-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218304202	MVVWORTYYGVKIW-WCVJEAGWSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218331769	FOJLYQLRGHHMBO-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1C[C@H]2CCC[C@H](C1)C2)C1CCCC1	2218360505	CTLROLVIEFFMSG-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2CC23CCCC3)CC1	2221640820	PHRORMJOQPORNP-HOCLYGCPSA-N	246.394	4.662	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](Nc2ccc(F)cc2)C1	2222261964	UKTKTUXUABWCHY-WFASDCNBSA-N	249.373	4.843	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@]12CCC[C@@H]1C2	2223159245	NAEDJUAPLIVEIR-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC2CCC2)CCCC12CC2	2223574069	UINGBAOTTNZWTK-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](O)CC[C@@H]1CCCCC12CC2	2246630831	RACKNMDAZJRUEK-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](O)CC1CC2(CCCC2)C1	2246768541	AWTWZLXXBRKCOJ-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC1=CCCCC1	2247489682	IJCAZVDOPALXLX-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)CCC(C)(F)F	2248846295	SVJJYPTXLBLLFF-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](CC)CN(C)C1CCC=CCC1	2249312630	NVVIYKXPBSYYPY-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@H]1CCCC2(CC2)C1	2250360255	HAEASTAWGBZHDS-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@H](C)C1CCCCC1	2250385260	PZDMETSLLYLUHC-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1=C[C@H](N)CCC1	2250482313	SWKLIYLJVRJQMX-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@]12CCC[C@H]1CC2	2251100856	SJHBIYBJKCCLTK-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC=C1CN[C@H]2CCCC[C@@H]2C1	2253816696	KEDNPAOZLGLCRO-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2CCCCC23CC3)C1	2253826076	ZLTUTGQNUWGYAP-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N1CC[C@@H]1CCCCC12CC2	2253862804	JWAJZWVJDQXMAO-HRCADAONSA-N	249.442	4.610	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC[C@H]1CCC[C@@H](C)C1	2253932752	BWXFYRHMRMUMHG-UNEWFSDZSA-N	245.410	4.601	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)C12CCCC1CCC2	2254527342	CSVBJJRBXOTTAD-HLUWQOEYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)c1ccc(F)cc1	2254540526	XTNSHZYKNJNLNI-OCCSQVGLSA-N	248.341	4.615	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNC1CC2(CCCCC2)C1	2254544918	RODYWQOANSHBOT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@@H]1C)c1ccccc1	2254591638	FSJAWFMDNZRDHT-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@@H]2C[C@@H]2C)cc1C	2254612140	URMLHFKSKQSLCM-LSDHHAIUSA-N	244.378	4.703	0	10	BJAE	
O[C@H](CC1=CCCCC1)[C@@]12CCCC[C@H]1CCC2	2255099438	JTSLKFGTMVOQGT-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCC[C@@H]1CC1=CCCCC1	2255140039	JURKFBGPMQUPAT-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc([C@H](N)[C@@H](C)CCC(C)C)cc1	2256297589	WVEUNTPGTZDAMC-WMLDXEAASA-N	247.426	4.711	0	10	BJAE	
C1CNCCCC(CC[C@H]2CCCCC23CC3)C1	2256968411	QIPSWVKWWWVQJB-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
Cc1cc([C@H](N)CCCCC[C@@H]2C[C@H]2C)oc1C	2257247937	MRWRQOQVFMOBMW-BPLDGKMQSA-N	249.398	4.503	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CC[C@H]2CCC[C@H]2N1	2257302399	VOBHLVBAAGAEBY-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(Nc2cc(C)c(C)c(C)c2)CC1	2258236816	LTHZYTCZIFJTBB-UHFFFAOYSA-N	245.410	4.993	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@]12CCC[C@H]1CC2	2260510064	ZDLDHEMSAQJLAP-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](NC[C@H]2C=CCCC2)C1	2261394843	JDHYEAQFQOJQOV-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@@H](C)[C@@H](O)c1ccccc1	2300686512	RISUVHSJPCGDNK-CZUORRHYSA-N	234.383	4.573	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](CC)C[C@H](NC)C1	2300689520	YRVXWBRUKGCBKA-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H]1CCCC[C@@H]1CC	2300876460	GXVRLAXDRRPSQV-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](N)CCC[C@@H]1C[C@H]2CCC[C@H]1CC2	2301142019	FSMBTYYHEPPVNO-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CC(N)([C@H](C)[C@H](C)C(C)C)C1	2301841260	UKKHTNRCMFYZQX-WXLSXGNJSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)C[C@H]1CCC=CCCC1	2301937321	DBKKOJHNFQJZQZ-HRCADAONSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H]1CC(C)(C)[C@H]1C	2302148808	WGAUREUWNFMIPA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CCC2(N)CCCCC2)C1	2302558976	AVJYHUOJYOWHKW-FICVDOATSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCCC1(N)CCCCC1	2302565300	DKMSLYDIBUOUIO-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CC[C@H](c1nc([C@]23CCC[C@H]2C3)cs1)C(C)C	2307688460	OOOMRFYMIRQPSS-HUBLWGQQSA-N	249.423	4.734	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H](C)C1CCCCC1	2307904574	TZVDIIQARVMKAW-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCC1CC([C@H](C[C@@H](CC)CCC)NC)C1	2307905443	XCRBTTZUFRQVSI-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1CCC[C@@H]2CC[C@H]12	2309518479	WBCQNVLZSIYLPD-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@@]23CCCC[C@@H]2C3)CC1	2311126712	OYWOKBFSZVVGHS-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](N)C[C@@]23CCCC[C@@H]2C3)CCCCCC1	2311146722	VPNYNFQVBBWJNJ-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@H]2C2CCC2)C1	2311479313	FPIFKMDNIJAUAS-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H]1C[C@@H](C)c2ccccc2N1	2311573224	FAJDZJNJTPUFJJ-KBXIAJHMSA-N	243.394	4.801	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312938947	DRZKUDQRCGSBCC-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CCc1cc([C@H](NC)[C@@H](CC)C(C)C)ccc1C	2314711531	KGVMFCWJZSOZNY-IRXDYDNUSA-N	247.426	4.500	0	10	BJAE	
CC(=O)c1ccc(-c2cc(C(C)C)ccc2C)o1	2315883680	QPPGBTXYFCKDSG-UHFFFAOYSA-N	242.318	4.581	0	10	BJAE	
CCC(CC)CC[C@@H](N)C(C)(C)c1ccccc1	2316247088	AGQQYGFNKNGGJE-MRXNPFEDSA-N	247.426	4.508	0	10	BJAE	
CC(=CCN[C@H]1CC[C@H]1C1CC1)CCCC(C)C	2316490529	NWOLAKMPHZMMST-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)c1ccoc1CC	2316504316	UUWLKLJITMVVOI-OAHLLOKOSA-N	249.398	4.629	0	10	BJAE	
CC(=C1CCCNC12CCCCC2)[C@@H](C)C(C)C	2317824357	QCGUVMYEBXUEIZ-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@@H]1CC12CCCC2	2318575225	CHTLERGIQODXOS-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
C[C@H](CCCC1=CCCCC1)[C@@H](C)CNC1CC1	2318592666	LRPMCFDASIOZNX-CABCVRRESA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1[C@@H](O)CC[C@@H]1CCC(C)(C)C1	2319028642	DJATYIFSJZPFFG-ZBFHGGJFSA-N	246.394	4.635	0	10	BJAE	
CCN(C[C@@H]1CCC(C)=C(C)C1)[C@H](C)C1CCC1	2320399639	YBUBWSLCZLDZHH-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCC(C)=C(C)C2)CC1	2320411748	LJWVVNKVCNQWCM-SJORKVTESA-N	247.426	4.731	0	10	BJAE	
CCc1ccc(C(=O)C[C@H]2CCC(C)=C(C)C2)o1	2320421973	DYNYUEHDHQGDQN-ZDUSSCGKSA-N	246.350	4.551	0	10	BJAE	
CCNC[C@]1([C@H]2CCC[C@@H](C)C2)CC=C(C)CC1	2326705466	ZJTNMSXVTGBOGH-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)c1ccc(C)cc1	2328274776	RJBLDEKOLBGNDF-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H](C)c1ccc(C)cc1	2328279664	XRRPPZKOBHOXLM-YQQAZPJKSA-N	248.410	4.676	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H]1C[C@@H](C)CC(C)(C)C1	19230559	JGPJPGITHDMVJO-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1cccc(Cl)c1	20552605	HXFLFKDYBZSWEL-LLVKDONJSA-N	225.763	4.577	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CCC[C@@H](C)C1	21801391	RZMYDRPQLDAOQH-MFKMUULPSA-N	237.774	4.639	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccc3ccccc3c2)C1	36951916	UFNDTEFHUFYDAM-XJKSGUPXSA-N	239.362	4.830	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc(C)c(O)c1C	37130474	XJVXGEYVHYEYEA-RISCZKNCSA-N	249.398	4.636	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C3CC3)C2)cc1F	81624205	DXCAZHRSKVAYEL-ZIAGYGMSSA-N	247.357	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H](C3CC3)C2)ccc1F	81638845	QZCSDOZPQQJKIX-ZIAGYGMSSA-N	247.357	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)NC1C[C@@H](C)C[C@H](C)C1	84463025	QWFUAWKFWUBTJK-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCN[C@H]1CCC[C@@H](C(C)(C)C)CC1	86954259	AQYFYFJRZQHLIQ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2CCCCCC2)C1	87946459	KMUDHAOCKNNGFF-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCc1c(C)cc(C)cc1C	88292728	JTRHIEMYJJUVKW-BLLLJJGKSA-N	247.426	4.526	0	10	BJAE	
CC(C)CCC[C@H](C)NCC1CCC(C)CC1	89575629	UMTPUGNONONIIT-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(CO[C@@H](C)c2ccccc2)c(C)c1	96541958	ZTUGJDNXFBDQRV-HNNXBMFYSA-N	240.346	4.581	0	10	BJAE	
CCCC[C@@](CC)(CN)CCCc1ccccc1	104004824	JZUVWOHITKRUIU-QGZVFWFLSA-N	247.426	4.555	0	10	BJAE	
CCCCCC[C@H](C)NC/C=C/c1ccccc1	110166343	QBTDRKKELANOLK-DKGMDFAASA-N	245.410	4.648	0	10	BJAE	
CCC(CC)CC[C@H]1CCc2ccccc2N1	110437808	TVJQBWCMDILDAW-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1ccccc1C1CCC1	132543388	PERFZYVHGVVGEH-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](O)c1c(CC)cc(CC)cc1CC	148028474	BQBUEWWZAFTRIX-INIZCTEOSA-N	248.410	4.597	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)CC1CCCC1	161009710	CKOIQRDXLPWSEV-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](NCCCC(C)C)c1cccs1	165218867	JUWPVYZFMNUTME-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1c(C)c(C)cc(C)c1C	167241950	JTPJFOWLTZASGH-BZNIZROVSA-N	247.426	4.617	0	10	BJAE	
C[C@@H](CC(=O)c1cccc(Cl)c1)C(C)(C)C	167850507	VAQWVRDIJSWPIX-JTQLQIEISA-N	238.758	4.595	0	10	BJAE	
CCC(CC)C(=O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2	168648592	BYDGLHZSVQCFJH-SCQRFTTHSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCC[C@@H]1CC	225978478	PABBREWRFQLCMN-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCCCC2(C)C)c(C)c1	226524774	UNGIQIXQSGYCRH-HNNXBMFYSA-N	244.378	4.703	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)c1ccccc1C1CCC1	226800955	YDONSHREBWMZBI-TZMCWYRMSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@@H](CCC1CCCCC1)[C@@H](C)CC	228812587	GJDVOIUGTMRTLX-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)NCCCCCCC(C)C	233344978	COTQFXCZTZAOPR-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](CC)Nc1ccccc1SCC	233349382	XIJUBMYDEMYGNH-LBPRGKRZSA-N	237.412	4.789	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2c(C)cccc2F)C1	235676380	BFLNKKOMIHYXLI-RISCZKNCSA-N	247.357	4.538	0	10	BJAE	
C[C@@H]1CC[C@@H]2[C@H](CC[C@@H]3CCCC[C@H]32)C1	256507386	LZIXWAYLHWNUDT-XLWJZTARSA-N	206.373	4.639	0	10	BJAE	
C[C@@H](C[C@H](N)C1=CCCCCCC1)C(C)(C)C	300136609	KPBIMYGNKBDCNX-ZFWWWQNUSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CC[C@H](CC)C1	300366765	GQOZYHXSTLWZEK-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
C[C@@H](C[C@H](N)CCCC(C)(C)C)C(C)(C)C	300775299	AMCTVKASYFJXQU-QWHCGFSZSA-N	227.436	4.602	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)C[C@@H](C)CC(C)(C)C	305956165	NUBDIERCXCTFEZ-ZNMIVQPWSA-N	241.463	4.848	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)C)C1CCCCCC1	306000032	UYIBFAZPDYTAMW-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCc1c(SC)cc(Cl)c2sccc12	306872721	VWPVTCNPCFQUFJ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Fc1ccc2c(C(F)F)csc2c1Cl	307449135	MVUHDYWNSCTPSW-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CC1(CC)CCC1	308035718	SUGZVECJGIJCTM-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC(C)(CNCCC1CCCCC1)C1=CCCC1	308757982	QRKMZLZIGDJFGV-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C[C@H]1C[C@@H](n2ccc3ccccc32)CC[C@H]1C	309942224	OAEYEQUKONKEOP-IPYPFGDCSA-N	227.351	4.639	0	10	BJAE	
CCCN[C@H](CCC[C@H](C)CC(C)C)C(C)C	309993141	ZGGISVHURKOGAP-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCCCF)NCCC	310311950	QXCZDVFQOYAYLQ-HUUCEWRRSA-N	245.426	4.711	0	10	BJAE	
C[C@@H]1CC[C@H]1N[C@@H](CC(C)(C)C)c1ccccc1	310634071	PAZQYNHICNEPFU-BMFZPTHFSA-N	245.410	4.552	0	10	BJAE	
CC(C)NC[C@@]1(CC2CCCCC2)CC=CCC1	317324224	PIVXAWWEGDZZGA-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CNCC1([C@H](C)CC(C)C)CCCCCCC1	317412506	NIJKOPJUTXEAGW-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCC1(CNC(C)C)CCCCCC1	317634578	PCQFEGTZUJJERB-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@]1(CNC(C)C)CCC[C@@H](CC)C1	317710879	IDLXFELHXQCCJG-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CNC[C@@]1(CCCCCC(C)C)CC[C@H](C)C1	317991031	MZWJLUYIGBHLRS-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@]1(CNC(C)(C)C)CCC[C@@H](C)C1	318015010	XCBPQXDLNQNLEN-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)[C@@H](C)C(C)C	319705563	YKJFGDHURYZPCW-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1c(C)cccc1C)[C@H](C)[C@H](C)CC	319791504	IBABSJRUJARHJA-VMGRFDJRSA-N	247.426	4.636	0	10	BJAE	
CCCc1ccccc1C(=O)C1(CC)CCCC1	384552597	QFPBGVFPOCZHFV-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)c1cccc(C)c1C	386139553	AOWMOEHHWQHBRI-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](O)c2ccccc2C(C)C)C1	386289042	GPUWTXITLCZVQJ-CKEIUWERSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](CC1CCC(C)(C)CC1)c1ccco1	386446019	CZWZEYSWRMJUNH-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
CCc1cccc([C@@H](O)C2(C)CCCCCC2)c1	394678139	VVMNMVMFEVBRPY-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CCc1c(C(F)F)cc(S)c2ccsc12	396242387	MIYHMCMQMSCNFO-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CSc1cc(C)c(C(F)F)c2sccc12	396406726	NMQHHVLVBKHESP-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@H]1CCCC(C)(C)CC1	398106516	KRYWELJDELMFSB-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1/C=C(/CNC1CC1)C(C)C	401740321	IVFXUEUFNGTQHY-MSNOVFOGSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CNc2ccc(CC)c(C)c2)CCC1	687523027	PRDUSVMLSVVVLW-UHFFFAOYSA-N	245.410	4.940	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)C1CC(C)(C)CC(C)(C)C1	688339628	VYFUAFVTRGDDCX-TZMCWYRMSA-N	240.431	4.636	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)CCCC1CCC1	688382108	KEPPUHJMBZQMLP-ZROIWOOFSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1CCCCC[C@H]1Nc1cccc(C2CC2)c1	691089992	OSLCIGYAODYQTJ-SUMWQHHRSA-N	243.394	4.945	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)CCC1CCCCC1	691185027	KHEHGTZYEJKJLF-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCC1(NC[C@H]2CC3CCC2CC3)CCCC1	691727502	KQASGMYMHNQGHS-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@H](C)C1CCC1	692681552	WMEHHPQUNZPPRA-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1NC1CCC2(CC1)CC2	695963159	GWIFJPMVMAQNRT-UHFFFAOYSA-N	243.394	4.774	0	10	BJAE	
CC[C@H](C)CCN[C@H]1CC[C@@H](C)c2ccccc21	696173850	IZJWMPRXUHBEQN-VBQJREDUSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(C)CCNc1ccc(C)cc1Cl	696754040	YBSSDTONTCCDEA-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CCc1cc(NCCC(C)(C)CC)ccc1C	696782517	MOIHLVXZWWGSBR-UHFFFAOYSA-N	233.399	4.796	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)c1ccccc1F	697771501	KMHFKNLFGUABQE-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCCCCCOc1ccccc1CCC	703890915	GIVFONGLBGERMD-UHFFFAOYSA-N	220.356	4.598	0	10	BJAE	
CCC[C@@](N)(CCCC(C)(C)C)C1CCC1	705351055	NUERKBVIMXXEMS-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1C[C@H](C)CC(C)(C)C1	708251495	ALNBJQQUPRFBLI-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC([C@H](N)[C@H](C)CC(C)(C)C)CC1	708316156	YIXYLNZMTPRYSM-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCCC[C@]1(CN)C[C@H](C)CC(C)(C)C	709077203	IRPNLUMTZLTXTR-IJEWVQPXSA-N	239.447	4.604	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@H](C)CC(C)(C)C)[C@H](C)C1	709138379	AGWDBKVWVGDQTP-KQTLUZQSSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC(C)(C)CNC[C@H](C)CC(C)(C)C	709252343	ZGMXEFAECQJYFP-CQSZACIVSA-N	241.463	4.721	0	10	BJAE	
C[C@@H](C[C@@H](O)c1ccccc1C1CC1)C(C)(C)C	710787218	NNZDENZCWJKDEZ-BLLLJJGKSA-N	246.394	4.670	0	10	BJAE	
C[C@H](C[C@H](O)[C@@H]1CCCCC1(C)C)C(C)(C)C	710790505	YVNRQQYLNVQMLX-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C12CCC(CC1)C2	711165947	GNZOOMVWMPXRKB-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CCCC[C@@H]32)CC1	712396139	KVLQHPWJJHRVKA-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CCCCCc1ccc(NC[C@]2(C)C[C@@H]2C)cc1	714659153	LHCWUWRNPIGACQ-YOEHRIQHSA-N	245.410	4.877	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1coc2ccccc12	718747802	MBESGTWMHHIAQR-OAHLLOKOSA-N	244.334	4.603	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)C1(C)CCC1	720785206	BKGFWNVGKXTGMG-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(SCc2ccccc2F)c(C)c1	1164595718	FSPALAPZFOJKMU-UHFFFAOYSA-N	246.350	4.735	0	10	BJAE	
C1=C[C@H](SC2CCCC2)CCCCC1	1188162318	ITUIUGVDNHMCDW-LBPRGKRZSA-N	210.386	4.551	0	10	BJAE	
C1=C[C@H](Sc2cccs2)CCCCC1	1188635617	OGJCHZLEJJQWIO-NSHDSACASA-N	224.394	4.729	0	10	BJAE	
Clc1cccc2c1CSc1ccccc1-2	1615215910	AHAZIKFBIQFCRY-UHFFFAOYSA-N	232.735	4.613	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1ccc(C)c(F)c1	1656859511	DCXKYEFNORHFLT-WFASDCNBSA-N	247.357	4.538	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCC[C@@H](C)C1	1900713542	PXVQHWGQRXSTPQ-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@@H]1C[C@H]1CCC	1910743363	OXBMPAUJEQDHNH-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C=CC=CCCNc1cccc(-c2ccccc2)c1	1912012033	CMTVIZCRWKNCFV-UHFFFAOYSA-N	249.357	4.898	0	10	BJAE	
CCCC[C@](O)(CC)Cc1ccccc1CCC	1919540048	VJSYDOHQLGWJIC-QGZVFWFLSA-N	248.410	4.513	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1C=CCCCC1	1925764893	GXKPNPJAVAHFAL-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C1CCC2(CC1)CC2	1925790033	LFCDUIUZMCZFNC-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
CC(=Cc1ccc(Cl)s1)c1ccc(N)cc1	1935987146	NUUQQKKDSLSGAS-UHFFFAOYSA-N	249.766	4.544	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)Nc1ccc(Cl)cc1	1939045792	DJGKLJJFAYZRCW-VXGBXAGGSA-N	239.790	4.823	0	10	BJAE	
CC1(C[C@H](N)C2(C)CCCCC2)CCCCC1	1940409761	POHXDIPLZPJIMM-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
Cc1cccc(OCCC[C@@H]2CC2(C)C)c1C	1940872728	OUWPLEMWTDOOGA-CQSZACIVSA-N	232.367	4.509	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1ccccc1C(C)C	1941252191	OQVBGGVCINCNQT-XJKSGUPXSA-N	234.383	4.526	0	10	BJAE	
CCCN[C@@H](CCCCCC1CC1)C(C)(C)C	1941590913	GNOYVBRCGWVFFX-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CNCC)C1CCC1	1942094710	IKLPGONQKAHBGI-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H]([C@@H](C)CCC(C)C)C(C)(CC)CC	1942654182	YCJSCEIPAJOULZ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CC(C(=O)CC2(C)CCCC2)C[C@@H](C)C1	1943048436	YZJNGJYTFRFSQM-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CC1C[C@H](C)C[C@@H](C)C1)C(C)(C)C	1944206298	XLMWHFLRTHEDMA-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@@H]1CCC[C@@H]1C	1944843829	VAUXMZSQIIRHLG-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CNC1(C2CCCCC2)CCC1	1945294808	ZEJMLSHQDLSBPO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)[C@@H]1CCC1(C)C	1945750006	PENVBVSJKXFBER-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1cccc2sccc12	1945970455	OSDGHVYERPYTPL-ZDUSSCGKSA-N	247.407	4.598	0	10	BJAE	
CCCC[C@H](CC)NC1C[C@@H]2CCCC[C@H]2C1	1946260206	RLWBTVUKUFTZOE-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCC1(CC)C(=O)[C@@H]2CCCCCCCC[C@@H]21	1947874598	FNAFCSMTNIYOJI-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCC(F)(F)CC	1947987558	GIUUTCCLYZBLJA-LBPRGKRZSA-N	248.357	4.843	0	10	BJAE	
C[C@H]1CC[C@@H](Oc2ccccc2C(C)(C)C)C1	1949501721	OZHFMRBNHXAWQI-QWHCGFSZSA-N	232.367	4.552	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1C[C@@H]2CCC[C@@H]2C1	1950295585	MTRAHUAHZRPNSL-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@]1(CNCCC)CC12CCCCC2	1950598010	BMSIBQLEQMRPDE-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
C[C@H]1CCC[C@@](CO)(CCC2CCCC2)CC1	1950907560	FOWXZYCJWFGIDE-HOCLYGCPSA-N	238.415	4.536	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CCCCNC(C)(C)C	1950970378	IILGAXLDXYPRER-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C[C@@]2(C)CC)CC1	1966012139	PBZXJYJODYISQE-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC[C@H]1CC12CCC2	1967757739	ZDELTXDRBBPCIZ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](Nc1cc(C)cc(F)c1)C1CCCCC1	1968596813	VVHNHDAMAKAXEJ-MRXNPFEDSA-N	249.373	4.905	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](C)CCCC(C)C	1969918878	RVYDWOCFIBYSEK-RRFJBIMHSA-N	227.436	4.616	0	10	BJAE	
CC(C)Sc1ccccc1N[C@@H]1C[C@H](C)[C@@H]1C	1970342611	KTGPZKKVVJCMDU-SGMGOOAPSA-N	249.423	4.644	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCCC(C)(C)C1	1978373309	ACEISPUKJDYHLG-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
O=C(CCCCCCC1CC1)c1cccs1	1980687181	KCLMQQWIBWSGTN-UHFFFAOYSA-N	236.380	4.681	0	10	BJAE	
CC=CCCCn1ccc2cccc(Cl)c21	1984590665	FJGBUMYAMHHQLP-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
CC[C@H](Nc1csc(C)c1)c1occc1C	1986205277	VEULNOPZNGXKCA-LBPRGKRZSA-N	235.352	4.521	0	10	BJAE	
CC[C@](O)(CCC(C)C)CCC1CCCC1	1986942390	AQRQXNSTDPJNBU-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CCCCCC(C)C	1989857088	GUSZGMRDVXRHPL-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC[C@H](C)CC	1990765968	ZKNHYIRTLAFION-CABCVRRESA-N	227.436	4.571	0	10	BJAE	
CCCC[C@@H](CC)c1nc([C@@H](C)OC)cs1	1990974063	VZJUQVGNIRUFTR-GHMZBOCLSA-N	241.400	4.534	0	10	BJAE	
Cc1cc(N)cc(-c2cc3sccc3s2)c1	1994737631	CPIIQWPYKVMORT-UHFFFAOYSA-N	245.372	4.520	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)C(C)(C)CC	1995262209	LOTAUGLUXHXTPW-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cccc(C(C)C)c1	1996615331	FYSRQIPFHCMTSR-OAHLLOKOSA-N	234.383	4.670	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@]1(C)CC=CCC1	1997552945	VAWTVMVFIHUNSE-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]([C@H]1C=CCCC1)C(C)(CC)CC	1998376237	BJVBKINQJKFXPE-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(F)(F)CCC(=O)C[C@@H]1CCC=CCCC1	1999987641	IBHAUIVEIIUBAG-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
C[C@@H]1CCC[C@](O)([C@@H]2CCCC(C)(C)C2)CC1	2000029614	ZKBGKAFODQXVON-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)[C@H]1CCCC(C)(C)C1	2000052625	WWXUEESFZFVCMC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC(C)(C)C2CC2)C1	2000108106	ZRPSYCKERNEBSL-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@H]1CC[C@@H](C)C1	2000309913	PXIFKJUGCOGGTE-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@@H]1CCCC[C@@H]1C	2000505864	VSAXDVHGLHMREJ-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@@H]1CC12CCCC2	2001266720	WTCDPJWKLPXOIE-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCSc1ccccc1NCC1(C)CC=CC1	2001701824	WFORQEVDPJKPJG-UHFFFAOYSA-N	247.407	4.567	0	10	BJAE	
CCC(CC)CC(=O)C[C@]1(C)CCCC1(F)F	2002578408	CFXBAOHNPODICG-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H]1CCCC2(CC2)C1	2003189909	GGHYTTUVORASJZ-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H]1CCCCCC[C@@H]1CC=C(C)C	2004226454	HTLCJYAXBHTBAH-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)CN(C)C1CCC(CC)(CC)CC1	2004363210	POUCFRKLNVBWII-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
C[C@H](N[C@H](C)C1(C)CCC1)C1(C)CCCCC1	2004839668	JUIIBUOUTCNQSF-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CCC[C@@H]1C(C)C	2007622691	NVDDSVNYHDRMKI-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@H](O)C2CCCCCCC2)C1	2007761619	TXJKTPCQVNSNIC-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@@](C)(N)C1CCC(C)(C)CC1	2009568969	JLYUOJYNIYZARF-SQRWCISFSA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@]1(O)CCCCC12CCCC2	2009588759	AVHCKCCGVWCSFV-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCCc1ccc2c(c1)CCCC2	2009592444	MVAZKIBKVJWPOQ-UHFFFAOYSA-N	228.379	4.854	0	10	BJAE	
C/C=C/CCCC1(O)CC2(CCCCCC2)C1	2009593245	MWWGUQKHIANFKQ-NSCUHMNNSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@H]1CCC[C@H](CC)CC1	2009626131	DBLKDDVGRQLRRY-CRIKOPJCSA-N	237.431	4.667	0	10	BJAE	
CCCCCC1CC(NCC2(CC)CCC2)C1	2009715746	JBOMTLMOGDVPLK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1CC(=C2CC2)C1	2011093809	ONHPBYRWDIQLDR-GFCCVEGCSA-N	234.383	4.662	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CCCCCC12CC2	2011284294	DJKJQZMRQVJAHB-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C12CCCC1CCC2	2012137177	VTPBPMZCWJFXEH-VQCLRJIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CNC[C@](C)(C[C@H](C)C(C)C)C(C)C	2015403034	XISDWBVHWNJKSV-HOTGVXAUSA-N	241.463	4.577	0	10	BJAE	
CCCC1(C[C@](N)(CCC)C2CCC2)CCC1	2015645026	RDMFXMVDDRWAOJ-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1(CC2CC2)CCC1	2015749568	OEHQZTQKJLBREO-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@@]2(O)CCC[C@@H]2CC)CC1	2017649496	WMHAQMHQHNYDAF-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@](O)(C[C@H]2CC[C@H](CC)CC2)C1	2017653675	WIBVBKZQSGFJAZ-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@@](C)(N)C2CCC2)CC1	2017729170	SZZOIQHRZUVRDH-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@@H]1CC(C)C	2018137596	XMKAKXVPWLSZFV-OWCLPIDISA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](C[C@@H](CC1(CC)CC1)NC)C(C)(C)C	2018999683	MFSRIGYZFYJVAL-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCN(C[C@@H]1CCC[C@@H](C)C1)[C@H](C)CC	2019160225	AZLJUMUGJUYROO-BZUAXINKSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCCN1CCC[C@H](C(C)C)C1	2019339967	IIMXRVZSMMQQKI-INIZCTEOSA-N	239.447	4.571	0	10	BJAE	
CCCC1CCC(N(C)[C@H](C)[C@@H](C)CC)CC1	2019386185	RWKJHIOTMAXGMX-QRNKSROTSA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@@]1(N)CCCCC12CCCCC2	2020918513	QCVCKLULFFRCMG-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC[C@@H](O)CC1CCCCC1	2022527523	AFLGUTDWRJVDPZ-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCC[C@H]2CCCC[C@@H]21	2022991363	JDPUUJQWEYJFKE-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)CC(F)=C1CCC1	2023203761	BRQVNVNIOMVEIW-OAHLLOKOSA-N	241.394	4.588	0	10	BJAE	
O[C@H]1CCCCCCCC[C@@H]1CC=C1CCC1	2023244239	CYGAUGIRJWWEOO-CVEARBPZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(O)CCCC2(C)C)C1	2024128562	NPDUPNCZGLGPPR-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCC1CCCC1	2026167343	QOAUETIESUEVCR-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)C1CC2(CCC2)C1	2026170046	MXDCZJDOOQZPCT-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(C)c1C(=O)CCC[C@H]1CC1(C)C	2027842178	GJOBYXKXBVZTBA-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc([C@@H](O)CCC[C@H]2CC2(C)C)cc1C	2027842924	MQVHCSIKPIMUMB-HOTGVXAUSA-N	246.394	4.553	0	10	BJAE	
CCCc1ccccc1[C@H](N)CCCC1(C)CC1	2027902736	CIAFOIFNTXTRRV-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CCNC[C@]1(CC2CCCCC2)CC=CC[C@H]1C	2027926393	NKTZGWYBMJXWQH-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)c1ccc(CC)cc1	2029966147	GMDFROLUBDNIFX-LSDHHAIUSA-N	247.426	4.726	0	10	BJAE	
F[C@@H]1CCC[C@H](Nc2ccc3ccccc3c2)C1	2034873812	NGFJRQYEASMENM-CABCVRRESA-N	243.325	4.532	0	10	BJAE	
C1CCCCC(N[C@H]2C[C@@H]3CC[C@@H]3C2)CCCC1	2035891696	MOXGHHWZLKQDBI-SCAQPMJSSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc([C@@H](N)C2(C)CCCCCC2)c1C	2037069665	ANYBUMUJZWUAFV-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@]1(N)CCCCC12CCC2	2037177940	ILETUQLPGACMTP-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@]1(N)CCCC2(CCC2)C1	2041291175	XFEHSOQTQBDMCR-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@@]2(C)CC=CCC2)CC1	2042071905	LAAPKQSXTSGREE-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C1=C[C@H](NC2(C3CC3)CCCCC2)CCCCC1	2042950387	DVIFIEHVVIIOIF-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)[C@@H]1CCCC(C)(C)C1	2045392771	XMRDETJDLWDZCD-ZBFHGGJFSA-N	245.410	4.520	0	10	BJAE	
Cc1cccc(C)c1NC[C@H]1CC12CCCCC2	2047011167	WGXMDTHAXJGWFF-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2C[C@@H]1CC12CCCC2	2047020296	OQGRVDQRXIHXHN-ZIAGYGMSSA-N	241.378	4.556	0	10	BJAE	
CCC1CC([C@]2(N)CCCCC23CCCCC3)C1	2048627629	PWQFBGMQXWFMLS-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@H]1CCC2(CC2)C1	2049849036	NMFSPAQCUDIETR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(CN)(C[C@@H]2CCC3(CC3)C2)CC1	2049864670	KBHJYXPHIQLOCN-CQSZACIVSA-N	249.442	4.502	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@@]1(C)C=CCCC1	2049995609	AOLHZNLESQLTKI-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CN[C@H](CCC[C@H]1CC1(C)C)[C@]1(C)C=CCCC1	2050005304	FLYGCBUKMRPXBO-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(=O)[C@]1(C)C=CCCC1)C1CCCCC1	2050009725	NYXZWRSQLFNVRC-RHSMWYFYSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@@]2(C)C=CCCC2)c1	2050010141	QQVQAYOEZRHDKB-SJORKVTESA-N	243.394	4.556	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2C3CCCC2CCC3)CC1	2050041597	KBLRJPRJEJVCFM-STXJZCLZSA-N	249.442	4.514	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H]1CCCCC[C@@H]1C(C)C	2055672521	UJGGYCOOEZSUHY-IKGGRYGDSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC1CC(C2CCC2)C1	2056665963	KPHABCFNPQSGGK-PESDSKBTSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)C=C1CCCCC1	2056880234	AMDVWYQPUNUJCL-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1(C2CC2)CCCC1	2057601217	JVLPMMVGBGFILB-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CCC2=CCCCC2)[C@H]1CC	2058733980	JHSUDAJLZRPKLP-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H]1CCCC2(CC2)C1	2059224553	BXWJJXHAJLZFAW-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC=CCCCC1(CNCC)CCC2(CC2)CC1	2059251800	BSMWGNFODLMTSI-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H](C)c1ccccc1)NC	2059262214	KNSUYLLFPHQEME-PQAMPZAHSA-N	245.410	4.515	0	10	BJAE	
CN[C@@H](CCC1CCC1)C1=CC[C@H](C(C)C)CC1	2061089022	QEHUPUXPLNBBSZ-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCCC1)C1=CC[C@@H](C(C)C)CC1	2061089278	RXEIQJPWZNFWMH-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
C[C@](N)(CC[C@@]12CCC[C@H]1C2)CC1CCCCC1	2061616487	JSNBJWDQAPURDY-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCCC12CC2)[C@@H]1CC1(C)C	2062019889	KYYLHXSNJVNCBD-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC1C[C@@H]2CCC[C@H]2C1	2063491624	SODVXMVHFPOPFF-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC12CCCC1CCC2	2063906192	TUEMYAOHZUZMBW-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
CNC[C@@]1(C[C@@H]2CCC=CCCC2)CCC1(C)C	2068230866	SXKIRIDIRJWZFA-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)NC[C@]1(C[C@H]2C=CCC2)CCC1(C)C	2068235334	DRZZPADJTLIKSI-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2070945275	YCDRMZRILLJWSD-JRBZFYFNSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@@H]2CCCCCC23CC3)CC1	2072660582	IWTNOIYYELEEDS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CCC3CC2C3)CC1	2072796730	RJUZDKCJRZVWRV-AXRJEEMOSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@H]1CCNC2(CCCCC2)C1)C1CCC1	2074138570	KZKZKCSUTJBTLD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NC)c2cc(C)ccc2C)CC1	2074639999	APBFDGBOYQAYNW-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCC1(C[C@H](NC)c2cccc(C)c2C)CC1	2074642716	XOTUQESLBCPSEL-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc(CN(C)[C@H](C)CC(C)(C)C)cc1C	2074917048	RHQUROCPVBUSQS-OAHLLOKOSA-N	247.426	4.560	0	10	BJAE	
CCCCN(Cc1ccc(C)c(C)c1)[C@@H](C)CC	2074917280	TZSAZLKAWWBHOV-INIZCTEOSA-N	247.426	4.704	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCC3(CC3)C2)[C@@H]1N	2076396517	VIRHHIWCKPXTLQ-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC([C@H]3CCCC(C)(C)C3=O)C2)C1	2076441373	LRDCJWNWJZXVMM-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
CC(C)CN(C1CCC1)[C@H]1CCC12CCCCC2	2076748936	FERBSSWUINOUCK-INIZCTEOSA-N	249.442	4.610	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1C[C@@H]1C1CCC1	2079330776	ABIQWKVUUBJUHW-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CCC/C=C/CNC[C@H]1C[C@H]1C1CCCCCC1	2079462387	PNCTWCPIUSEJAL-YHKAFVHASA-N	249.442	4.539	0	10	BJAE	
C(CN1CCCC2(CCCCC2)CC1)=C1CCC1	2081797948	KGNQBJAZQXFJKC-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
Cc1cc(C)c(C)c(CN[C@H](C)CCC(C)C)c1	2082906425	WEGCZACRSSJPOK-OAHLLOKOSA-N	247.426	4.526	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@H]1C[C@@H]1C=CCCC1	2083016142	APBSKMSLBUZEFY-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1scc(C)c1C	2210579164	VEMJRNXDLITHCJ-GFCCVEGCSA-N	240.412	4.615	0	10	BJAE	
CCCCC[C@@]1(O)CCC[C@H](C(C)(C)C)C1	2212101814	XPQWNRAMBLIXMQ-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](CC(C)(C)C)NCCCCCCC1CC1	2213574143	PUUXATYKPJTOCY-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CC[C@H]1C[C@@H]1C)CNCCC	2215256490	VGSIIBMCYDODPU-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](NCCCCCCCC1CC1)C(C)C	2216869658	ISKIDILVPNMOBE-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@H](C)C[C@H](C)C1CCCCC1	2217144368	FHRWMAISJCNWMD-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@H](CC)C[C@H]1CC[C@H](C)CC1	2217152355	DDCCHBZKDVVQBE-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@]1(CN[C@@H](C)CC)C=CCC1	2217153189	KGCNYNAJRIQFRE-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)C[C@@H](C)CC(C)C	2217154335	STYWONQDKLLJEH-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1C[C@@H]2CC[C@@H]2C1	2218731447	KICRGMHAQBKWBM-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(N)CCC(C2CC2)CC1	2218897028	PQEZQBZVDDDRPQ-PXZKZTPFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1C)[C@]1(C)CC=C(C)CC1	2221633041	SLMIQYZETFQMPK-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC2CC2)CC=C(C)CC1	2221658514	DWMZSSFMYODEDX-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](CNC2CC2)(C[C@H](C)C(C)C)CC1	2221658737	CIQKFEWVVCEWQQ-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NC)c1c(C)cccc1C	2222008783	JOGPOBXZMNOVBE-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H](C[C@@H](O)c1c(C)cccc1C)C(C)(C)C	2222011506	MRRINEOYRIHHQO-LSDHHAIUSA-N	248.410	4.799	0	10	BJAE	
CC[C@@H](C)NCC1(C2CC3(CC3)C2)CCCCC1	2223579582	ZNERLVXDAKGEAJ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](N)c1ccc(CCCC)s1	2242599612	ZBSPWCRSMSYYQD-ZDUSSCGKSA-N	239.428	4.671	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccc(C2CCC2)s1	2244712075	LAMOSKYTNODCAF-JTQLQIEISA-N	236.380	4.635	0	10	BJAE	
CCC[C@@H](CC)C(=O)CCCCCC1CC1	2244774183	FIFSOTVBFADUTB-CQSZACIVSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1cc2ccccc2s1	2246873420	RPOLPDDCRWHHBX-WFASDCNBSA-N	247.407	4.583	0	10	BJAE	
CC(C)=CCCc1cc(C=O)cc(C(C)C)c1	2247239001	OFPDNGQNMXOOIP-UHFFFAOYSA-N	230.351	4.521	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@H]1CCC1(C)C	2247394467	OOBPIHIUFVMKEV-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CCCCC[C@@H]1C[C@H]1C	2248812672	AXFGNNOKDJTIPV-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC[C@@H]1CCC[C@H](C)C1	2250361331	LQUSECMYQPHIRN-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)ONCC[C@@H](C)CCCC(C)C	2250518008	QTUQUWJEGQKIRA-AWEZNQCLSA-N	243.435	4.549	0	10	BJAE	
CCC(CC)C[C@H](O)C1CC(CC(C)(C)C)C1	2251531088	HNQZANDYQRDUSD-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
CCC1=CCC[C@@]1(N)CC[C@H]1CCCCC12CC2	2253847817	BPMWKLHEVPRSCU-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
Cc1cccc2c1N[C@H](C1CCCCCC1)CC2	2253852002	GGOBSHLPRRCVBX-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
CCC[C@@](N)(C1CCCC1)C1CC2(CC(C)C2)C1	2254447988	OTVVPJDJVDXUKP-VFMGQYKMSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(N[C@@H](C)[C@@H]2CC23CCC3)CC1	2256439166	WRUJAGQUUJOGIZ-LBDPXKHJSA-N	249.442	4.514	0	10	BJAE	
CC(C)(CC[C@H](N)[C@]12CCCC[C@@H]1CC2)C1CC1	2260505546	HNDHERFSGMSTHJ-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCN(C)C[C@@]12CCCC[C@@H]1CC2	2260570371	PFUPBXFGLDADEK-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
CC1(C[C@H](N)C[C@@]23CCCC[C@H]2CC3)CCCC1	2260611817	WHMHCQVMIPFWKB-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](c2cccc(C3CCCC3)c2)N1	2260665521	WDMXCMPWIPWXIE-CXAGYDPISA-N	243.394	4.547	0	10	BJAE	
N[C@@H](c1cccc(C2CCCC2)c1)C1CCCC1	2260723130	JDUBVEHPKHILQI-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](NC[C@@H]2CC=CCC2)C1	2261386656	QONAIPXLNJVHLN-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@H](C)CC1CCC1	2298879162	QQVGUZFFONVVEL-CQSZACIVSA-N	239.447	4.712	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@H](C)CC1CCC1	2298907170	FTNIBZTYGBPPJN-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)C[C@H]1CCCC12CC2	2300674299	SADOBGIDYGJANU-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CCC[C@H]1C(C)C	2300680012	YYQJVXGLESNHOT-XHSDSOJGSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](C)[C@H](CCC(CC)CC)C(C)C	2300684218	RQDVOAKSNPUVBT-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CCC(CC)CC	2300688036	JFVMZNJPHUIAIS-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCC2(CCCC2)C1	2300703230	CVMZRRPXSHGINX-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(=CC[C@H](O)C1(C)CCC1)CCCC(C)C	2300864130	XPTNTAADAGXBFX-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
CC(C)=CC[C@@H](N)CC=C(C)CCCC(C)C	2300919009	QWTHDRUOYOJGBF-MRXNPFEDSA-N	237.431	4.833	0	10	BJAE	
CC1CCC(C)(C(=O)[C@H](C)[C@H](C)C(C)C)CC1	2301840801	QGTUKRIGICDURR-MYMJJRTCSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1CCC(C)(C)C1	2302686264	XVFHZMBIBQHISJ-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@](O)(C[C@@H]1CCC(C)(C)C1)C(C)(C)C	2302710171	OCJKTOTXLQAHOE-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCCC[C@@H]2C[C@@H]21	2302908463	UMHKFRRICICGQE-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303465644	OUAKVHNIJIPXSB-GXTWGEPZSA-N	238.415	4.844	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1CC[C@H]1C(C)(C)C	2303466039	RYXWIZNMQOHHIT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303472137	OUAKVHNIJIPXSB-JSGCOSHPSA-N	238.415	4.844	0	10	BJAE	
CCC[C@](C)(CNC)C[C@@H]1CCC(C)=C(C)C1	2303518893	CEHLGWXUZGDAJI-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC1=C(C)C[C@H](C[C@](C)(O)[C@@H](C)C(C)C)CC1	2303530363	CDOKTLHOVNYNLD-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CC[C@H](CCCC[C@H](N)C(C)(C)C)C1	2304447648	QCVIWOKIBNGDRR-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](c2nc([C@@H]3C[C@H]3C)cs2)C1	2307698012	YBNGUMPUKZGKLH-RXGFPQBGSA-N	249.423	4.806	0	10	BJAE	
CCC[C@H](CC)CN1C[C@H](C(C)C)CC[C@@H]1C	2307746541	FXJPJLPKPWRZLO-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@H](C)C1CCC1	2307908353	GTYINRKVEAZFBI-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC=CCCC1)C[C@@H]1C[C@H]1C	2310971379	DIWGJGKRRHZNMZ-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@@H]1C[C@H]1C1CCCC1	2311610497	TWPUITWOOAAWJG-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2311718037	RBOJWXAPLNBMIH-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@]12CCCC[C@@H]1CC2	2313291705	BGJHCTIEPKRDHX-KTGDWTQYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@@]12CCC[C@@H]1CC2	2313292116	IUSCRACFLLDSCK-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCc1cc([C@@H](O)CC2(C)CCCC2)ccc1C	2314694707	MVURHQRXTMOLLE-INIZCTEOSA-N	246.394	4.561	0	10	BJAE	
CCCc1cccc([C@@](C)(N)CCCC(C)C)c1	2315950793	XKUYBQCGBFSUFN-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C1CC(C2CC2)C1	2316505319	ZDNBCPHPBZXPRS-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]1C[C@@H](CC=C(C)CC)CC2(CCC2)C1	2316568215	OEPNFONKQKBYGF-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@@H]1CC[C@H]1C	2318582835	IIRPCOYSRHOWAP-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCN(CCCC1=CCCCC1)C1CC1	2318584095	WQGUOAJVLGJYCE-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)C1[C@@H](C)[C@@H]1C	2318587575	URAXSUYQNQAMDX-OFQRWUPVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C1CCC1)N(C)CCCC1=CCCCC1	2318589283	OVUVSLHNQVPXAJ-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CCCC1CCC(C=C[C@@H]2CCCC[C@H]2N)CC1	2319203959	MJYRUWAFXXSBGX-SJJHQCBESA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CN2CCCC(C)(C)CC2)CC1	2320342052	ZDCVHDOYCYEZLS-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@@H](NC[C@@H]2CCC=CCCC2)CC1	2320373171	OUJCWJRJHLPDQU-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCc1cc(F)cc(NC[C@H]2CCC[C@@H](C)C2)c1	2321084962	MJVKHMMHIAHXQX-OCCSQVGLSA-N	249.373	4.626	0	10	BJAE	
CNC[C@]1(CC[C@H]2CCC(C)(C)C2)CC=CCC1	2321619153	JMBRXNXWEYFCAV-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@@H]2CCC3(CC3)C2)C1	2321634536	SQBMZKJNZHSTFH-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)CCCC2CC2)c1	2327701937	SCJOGYTUQLRQRW-UHFFFAOYSA-N	244.378	4.881	0	10	BJAE	
CCCNCCC=Cc1cc(C)ccc1C(C)C	2327789899	MQCOZYVQQTVOLH-UHFFFAOYSA-N	245.410	4.521	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CCNc2ccc(F)cc21	2328275694	IUFVTNXKVGACMA-OLZOCXBDSA-N	249.373	4.941	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC2CC2)C=CCCC1	2328301924	MGTDYEKBXHTYET-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)c1ccc(C)o1	36960126	ZIGBLTLTZNBUKN-GXTWGEPZSA-N	237.387	4.598	0	10	BJAE	
CC(=O)CC(C)(C)c1cc(C(C)(C)C)ccc1C	41298261	PXTUJDDQSQNLRL-UHFFFAOYSA-N	246.394	4.549	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC)CNC(C)C	71127258	IEOVTMXYPCTOTH-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC(CC)(CCC(C)C)CNC(C)(C)C	71128066	MKAWTQZATMMKSR-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](C)NC1CCC(C)(C)CC1	79626784	SINZMNCMSOQETL-AWEZNQCLSA-N	239.447	4.904	0	10	BJAE	
CCCCCC(=O)C1CCC(CCC)CC1	83780168	YXXVJLUFHYUWDI-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC1CCC(CC[C@@H](NC)C(C)(C)C)CC1	85082989	VXTVAYWMNATERD-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccsc2)c(C)c1	85528202	WIWXLTOZDPDUEE-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
Cc1cc(C)c(-c2ccc(Cl)c(N)c2)cc1C	86492630	DUUZTEVRBBHBOC-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H](C)CC1)c1ccccc1	86889784	KDTPENPMQAEEIJ-UAGQMJEPSA-N	245.410	4.696	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C2CCC(C)(C)CC2)C1	87940977	PHEKIXILRMQPIX-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](c1cccc(C)c1C)C1CCCCCC1	87947363	XJXJKQGHIXNQNM-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2cc(C)ccc2F)C1	87984533	MLYZPBLKZNFFKV-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC(C)(C)C1	88508605	QOWIPIHIMUDCPT-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCCc1ccccc1NC[C@@H]1CCC[C@H](C)C1	89606392	SXCKDDLGPZAHIU-LSDHHAIUSA-N	245.410	4.877	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(CC)CCCCCN1	91874383	JGAVETOQMZXJJF-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](CC)(CNCC(C)C)[C@H](C)CC	94678142	KTFJOAUABYDIMP-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
Cc1ccc(C)c(OCc2ccccc2Cl)c1	95081904	NVFKFQAWPKZXLU-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC/C=C\C[C@@H](C)c1ccc(F)c(C)c1	107560544	BRRJAKCBGJPYBL-ISALQUGTSA-N	206.304	4.594	0	10	BJAE	
CC1(C)CC[C@H](Nc2cccc3c2CCCC3)C1	129201453	PMJDFSAZLBPKJK-AWEZNQCLSA-N	243.394	4.556	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2CC1CCCCCC1	148968066	SHJLQTMYXAEOQR-HNNXBMFYSA-N	243.394	4.946	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)c1cccc(C)c1	160192304	DPURSDYFENIAQX-HOCLYGCPSA-N	233.399	4.614	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)C1CCCCCC1	227359378	ICJWTRZRBJZADM-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C[C@H](C)C(C)(C)C)CC[C@H]1C	229190644	NUZUSIVUHQSETI-RFGFWPKPSA-N	238.415	4.700	0	10	BJAE	
CCCCCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	231442793	OYHBVIVHDDOJGI-SOUVJXGZSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2ccc3c(c2)CCCN3)C1	233956035	XSNCEBIWBIWLDK-ZIAGYGMSSA-N	243.394	4.729	0	10	BJAE	
Cc1ccc([C@@H](O)CCC(C)(C)C)c(Cl)c1	235805174	RVFWNNHDDCBWBF-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CCCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NC	250828098	OXECGFKRUDXGCJ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@H]1C[C@H](C)CCC	251350353	QKXCINBMYCIOTE-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCCC[C@H]1C(C)(C)C	252391838	SJHOJPGCACCDCK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1NC(C)(C)CC(C)(C)C	252421821	ZTHXZWMKCXMGIS-WDNDVIMCSA-N	239.447	4.616	0	10	BJAE	
CC(=O)c1ccc(C(C)(C)CC(C)(C)C)cc1	258278790	XHUWKSHCYNSUGS-UHFFFAOYSA-N	232.367	4.603	0	10	BJAE	
Cc1cccc2cc([C@H](N)CCC(C)(C)C)oc12	302270644	HERGKIXNZHXMGH-CYBMUJFWSA-N	245.366	4.567	0	10	BJAE	
CCC1([C@H](N)CCC2CCCCC2)CCCC1	302276325	STRUVZMEHLJNIG-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)c1cc(C)cc(C)c1	302317305	JENQHJHAHZEVJU-SUMWQHHRSA-N	247.426	4.636	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCCC(C)(C)C)c1	302327463	RTQNCQIDZJYQMC-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CCN[C@@H]([C@H](C)CC(C)C)C1(CC)CCCC1	302520202	DNIIKKKGRSZPDG-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCc1ccc([C@](C)(O)CCCC(C)(C)C)cc1	305900908	BICHOCVXVBCLJY-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
Fc1c(Cl)cc2sccc2c1C(F)F	306868328	QXIYCXQWJAEHGN-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(O)CC1CCC(C)(C)CC1	310187591	XYWJGELWQPEMRX-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H]1CC[C@H]1C	310320086	WJRWURNPJIGDER-GDBMZVCRSA-N	239.447	4.904	0	10	BJAE	
CN[C@H](CC[C@H](C)C1CCCCC1)CC(C)C	310378453	AMOAIXZLAYZKDN-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)CNCC1([C@@H]2C=CCCCCC2)CCC1	318562438	VBORBHFCFOPDBU-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H](C1CC1)C(C)(C)C	324230650	HASIUZMHDBYUKG-CFVMTHIKSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCCCCNCCC(C)(C)C1CC1	383256338	LCWPSNJUEMJUFB-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1cccc2c1CCCC2	384685956	BOJKQAIWARGDON-CYBMUJFWSA-N	245.410	4.802	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CCCC(C)(C)C	385100434	ZORJPSCTZVPEJG-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C(C)(C)C(C)(C)C	386891137	XVTPBBGIOIRUSV-OAHLLOKOSA-N	248.410	4.916	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H]2CC23CCCCC3)C1	394518990	GAHZSDOBSRLDEY-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCCCCC(C)C)C1CCC1	394760373	LNJMVLFWAJISHG-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCc1c(S)ccc2c(C(F)F)csc12	396234637	DUBWKTJUJAUPHT-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCC[C@H](N[C@H](C)CCC(C)C)[C@@H]1CC1(C)C	397713042	VHYKBVUODPIIDM-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](CCCC(C)(C)c1ccccc1)NC	686728560	LVGKHMDQJNGHPF-INIZCTEOSA-N	247.426	4.523	0	10	BJAE	
c1ccc(-c2cccc(N[C@@H]3CC[C@@H]4C[C@H]43)c2)cc1	689642744	KIMVDLGHZJPMIK-KBAYOESNSA-N	249.357	4.564	0	10	BJAE	
CCSc1cccc(N[C@H]2CC[C@H](CC)C2)c1	689705943	RAGABFXIEZWVBY-JSGCOSHPSA-N	249.423	4.789	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@H](C)C1CCC1	692678320	MPTZXVAOQPQGJP-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCC12CCCCC2	693818037	ZXHZGWCEXWBERA-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
Cc1ccc(NC2CCC3(CC2)CC3)c(Cl)c1	696008719	FIWRAIDDJNLKIS-UHFFFAOYSA-N	249.785	4.783	0	10	BJAE	
CC(F)(F)C(C)(C)CC(=O)CC1=CCCCC1	697061292	GOMLUQRUXQSKER-UHFFFAOYSA-N	244.325	4.518	0	10	BJAE	
CCCN[C@H](C(CC)CC)C(C)(CC)CC	701153876	SEQKDVPKXPTIFM-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)C(C)(C)CC	701537751	BVPPITAQNLPWEJ-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CNCCC)C[C@@H]1C	703315094	AEUJRYYCQGKOHL-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C1(N)CCC2(CCCC2)CC1	704859769	IKSWHFXJXUWOHL-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CCC1CCCCC1	704972010	YVVKVQBMXNXABG-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@@]23CCCC[C@@H]2C3)cc1	709113408	OGAYRSZEPMOFEJ-UNEWFSDZSA-N	243.394	4.630	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H](C)CC(C)(C)C)CC(C)(C)C	709199789	NJUJOHLPBNGEON-RDBSUJKOSA-N	241.463	4.848	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@H](C)CC(C)(C)C)C1	709259323	HOYISMLOKCWMOD-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1csc(C)c1	710699179	VFOPYEGBMGYSFN-PWSUYJOCSA-N	225.401	4.683	0	10	BJAE	
CCC[C@H](C)C[C@H](C[C@@H](CC)C(C)(C)C)NC	711100444	ZALASPCFTFANAE-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CCC1(CC(=O)c2cscc2Cl)CCC1	711566107	OKXHJNFAYOZAQQ-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC[C@H](C[C@@H](N)CC(C)(C)C(C)C)C(C)(C)C	713134353	TYQHKDNVMVUXLO-ZIAGYGMSSA-N	241.463	4.848	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CC)C[C@H]1CC(C)(C)CC	713268432	LBZBSJVJJAEOPC-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCc1ccc(F)c(C(F)(F)F)c1	713644642	LDYPQPFJEPYMKU-ONEGZZNKSA-N	244.231	4.519	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)[C@H](C)CC(C)(C)C	713679468	RUCCNTVTUJFLOM-SPZIKGKASA-N	237.431	4.559	0	10	BJAE	
CC(C)c1ccccc1NCC[C@@H]1C[C@H]1C1CC1	714831399	RSCVKBJBBVZQJK-ZBFHGGJFSA-N	243.394	4.658	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CC3CCC2CC3)C(=O)C1	717464986	NAQBXZKPQQGGST-CVSAEHQPSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(NCCC(C)=C(C)C)cc1C	718506969	PHCZQFKQGLNBJF-UHFFFAOYSA-N	231.383	4.716	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CCCCCC1(C)C	718700278	NXXUHDYFPMSDTH-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC1CCCCCC1	719288118	QEGFLWYQHPXKNW-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
Cc1ccc(C)c(SCC=C(Cl)Cl)c1	1472930247	CRTACVXEVCQRMT-UHFFFAOYSA-N	247.190	4.715	0	10	BJAE	
CCC[C@H](NC[C@@H]1CCCC[C@@H]1C)C(C)(C)C	1559844338	HRKBDQJLDXUMHD-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)CCC=C(C)C	1659830774	GJYIYTJTBVHELN-CABCVRRESA-N	225.420	4.680	0	10	BJAE	
Cc1ccc(Cl)cc1SC(C)(C)C	1775954539	PRSACCNDXVJTMU-UHFFFAOYSA-N	214.761	4.539	0	10	BJAE	
CCC(C)=CCCc1cccc(C(F)F)c1	1900838952	QVOKTEXTMIMKNG-UHFFFAOYSA-N	224.294	4.913	0	10	BJAE	
CC(C)CC(=O)CCCCC1=CCCCC1	1901966005	FIDNIIBIBPNUHM-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCc1cscc1N[C@@H]1CCC[C@H](C)CC1	1902390342	JMJFYVSJVQYSSA-WCQYABFASA-N	237.412	4.691	0	10	BJAE	
CCCCN(C[C@H](CC)CCC)[C@H](C)CC	1905300305	IAXNCVBHBDMVIG-HUUCEWRRSA-N	227.436	4.713	0	10	BJAE	
CCNCCC=C(C)CCCCCC(C)C	1911637728	VIWBMIIHTCIANV-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
C=CC=CCC[C@@]1(CNC(C)(C)C)CCC[C@H]1C	1911928362	XUHBCKNHEBQDDT-WBVHZDCISA-N	249.442	4.703	0	10	BJAE	
CC(C)C[C@H](C)C=C1CCC[C@H]1[C@@H]1CCCCN1	1912093980	NSMRFZKRXKIUKB-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC1(CN)CC2(CCCCC2)C1	1912584785	LECJIPVAORVDHU-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](CCN[C@@H]1CCC2(CCCCC2)C1)C1CC1	1915882015	HASXVTOJHDDVPK-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCN[C@@H]1CCC2(CCCC2)C1	1916417068	HFOFZNGHOBGAND-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](O)(CC)CC1CCC(C)(C)CC1	1919540601	ZGUCOMBVWFOSJH-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@H]1CCCC12CCC2	1921603525	NSEXOIPZUVSFDQ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CN)CCCC12CCC2	1921637244	VDTBIGXROIPFBF-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)[C@H](C)C1CCCC1	1924129923	JQZQWCDHGPJSQP-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCCCC2)CCC[C@H]1C	1925798562	MPAAPBOGJMFWLY-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(CC[C@H]2C=CCCCC2)cc1	1925814313	KCBAHTARLIDDQP-HNNXBMFYSA-N	214.352	4.674	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@H]1C=CCCCC1	1925886238	CBKDBDNSQGNJAA-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CC(C)(C)NC[C@@H]1C=CCCCC1	1925924457	ZEWMMGYLTYQKSO-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](C)(O)C(C(C)C)C(C)C	1940243097	JSNGDNVXBXUJEE-GDBMZVCRSA-N	242.447	4.738	0	10	BJAE	
C[C@H]1CCC[C@@H](NCCCCCC2CC2)CC1	1941581762	ODAUOCZTHWOGLF-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944844783	CBLUANPOLBUIRS-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](NCCC2(C)CCCCC2)C1	1945432909	UJZAEIWXNBGNCM-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2C=CCCC2)CC1	1947558008	GFWAULOAUYVZOH-SLTAFYQDSA-N	234.383	4.518	0	10	BJAE	
CCCNCC1([C@@H](C)CCC)CC(C)(CC)C1	1948412951	KODFDVUXNCYQQD-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H]2C[C@@H]2CC)CC1	1949026548	LCEBIDHTWFGKPM-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C[C@H]1C=CCCCC1	1949124740	JXBIWIOWSSYDRJ-HRCADAONSA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)c2cc3ccccc3s2)C1	1949505177	JDDGBSYADJLOCL-PWSUYJOCSA-N	244.359	4.520	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)CCC2CCCC2)CC1	1950911382	ODUKYSXGWZPCHR-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H]([C@@H](C)CC)[C@H]1CCCC(C)(C)CC1	1950913264	FYCZICQTKNLXJL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](CNC2CCC3(CCC3)CC2)C1	1965921577	SLVZMIVARBKJMJ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)c(C)c1	1968255131	ROAQFCLWYLJGIR-MUJYYYPQSA-N	243.394	4.684	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCC[C@H](C)C2)cc1F	1968321292	YNSJVMXWFLUWIF-GXTWGEPZSA-N	249.373	4.762	0	10	BJAE	
Cc1ccc(NCC2C[C@H](C)C[C@@H](C)C2)c(F)c1	1968326554	JRXFAUOBMZKVEU-CHWSQXEVSA-N	249.373	4.618	0	10	BJAE	
CCc1cccc(NC2C[C@@H]3CCCC[C@H]3C2)c1	1968339888	PWEJKAHMMIGWKV-GJZGRUSLSA-N	243.394	4.630	0	10	BJAE	
CCCCC1CC(N[C@H](C)[C@]23CCCC[C@H]2C3)C1	1973100483	RLPQNBQFFHYQCP-NCSWOWMGSA-N	249.442	4.514	0	10	BJAE	
c1ccc(C2CCC2)c(NCCC2CCCC2)c1	1973429086	IMIGBLQNFAQPIZ-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CC(C)CCC[C@H](N)c1cc(C(F)F)cs1	1977101350	MVAFKOCKWVMFHS-JTQLQIEISA-N	247.354	4.512	0	10	BJAE	
c1ccn([C@H]2CCCCC23CCCCC3)c1	1979315584	LRAXYZLLQHCMPJ-AWEZNQCLSA-N	217.356	4.554	0	10	BJAE	
CCC[C@@H](NCC)C1(C)CCCCCCC1	1981416836	TVJIDELQXGIPBA-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@@H](N)CC1(C(C)(C)C)CCC1	1989466510	ZRPNSQIIZOMTPV-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cccc(SC)c1	1989819136	PESAHNNGXHFTQS-NSHDSACASA-N	237.412	4.645	0	10	BJAE	
CCCCC[C@@H](CC)NCC[C@@H](C)CCC	1990091868	RZRSGYSIUNBGNQ-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCC(C)(C)[C@H](CCC1CCCCC1)NC	1996610257	HJYHXLUFYJPLJL-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCCC2(CCC2)C1	1997043082	NSTPBOMSNJLWTO-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NCCCC(C)(C)C	1998379161	BKTNDWBYMNJBFG-AWEZNQCLSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CCC=CCCC1)NC	1999992067	DRUADJGCFSPXHP-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CC[C@@H]2C[C@H]2C1	2000215002	MDSNMVGFXKGCJG-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@@H]1CCCC[C@@H]1C	2000319233	HOZUBRAICDPSQM-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CCC1CCCCC1)CNC	2000510275	NZMHVEVQNMAXRG-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)CN[C@@H]1CCCCC12CCCCC2	2001597165	SDBJIRZLFZIDLA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C2CC(CC)C2)CC1	2002344013	NIAHVMKAAXLVMS-GYTBAZASSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CC1(C)CC1)NCC	2002517134	VYBRKQJOSSFBED-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC(=O)C[C@]1(C)CCCCC1(F)F	2002595433	QMVMQCUVNLOMOR-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C1CCC(CC)CC1	2002922709	CGQJZFQSFHSHBD-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2003014015	AKRVVZSUHKAKMZ-DSJMHWKBSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H]1CC[C@H](C)CC1	2003067394	RTBCWUUHNTWVJW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)CCCCCC2CC2)CC1	2003103357	JMSBXCXMXCBWHK-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H]2CCCCCCC[C@H]2O)C1	2003116846	LNOHTTCNXIGFKE-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1CCCCC(F)(F)C1	2003175652	MJSWESQJVMCBOD-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@@H]1CCCC2(CC2)C1	2003209116	UBVWDLFXLWLDLP-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCNc1ccc(C2(C)CC2)cc1	2009595942	YVPWLFZRWCJXJO-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
C/C=C/CCC[C@@H](CC(CC)CC)NCCC	2009617409	SBGYFBYQGAUWQI-RDTXFTJFSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C(CCC)CCC	2009618274	AKQXDBKUTWHIHN-DXWDOBMASA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCC[C@@H](CCC(C)(C)C)NCCC	2009636121	UKWYUTWWAWYEJL-VFADXPBXSA-N	239.447	4.927	0	10	BJAE	
CCC(C)(C)[C@@H](O)C1=CC[C@@H](C(C)(C)C)CC1	2010724710	CXLMBQNSMFSLBT-KGLIPLIRSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCC[C@H]2C[C@H]2C)CC1	2011564345	RIKWQAWMKMOGLJ-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCSc1ccccc1NCCC[C@H]1C[C@H]1C	2011581486	VNIWTDPHKPZPOK-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CC[C@@](O)(CCC(C)C)[C@H]1CCCC(C)(C)C1	2013264589	OBFCTAJRCFRKNA-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@@H]1CCCC[C@H]1C	2013308597	HWQFOGWGISDTHA-BZUAXINKSA-N	239.447	4.712	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@](C)(N)C1(C)CCCC1	2014323720	LBDOUYBOWISMRZ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C[C@H](C)c1cccc(N)c1)C(C)C	2015411209	ZBXBMEFBSIHCND-ZDUSSCGKSA-N	233.399	4.691	0	10	BJAE	
CCCC1(C[C@](O)(CC)[C@H]2CC2(C)C)CCC1	2015636636	ZZGHLMPOUMPBLA-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C1CC(C(C)(C)C)C1	2016117432	OIHAVGZMGSFBPD-XUJLQICISA-N	237.431	4.523	0	10	BJAE	
CCC(CC)CC(=O)CC1(C(C)(C)C)CCC1	2017129651	QZSYNXFZVZYWLS-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@@H](N)CC1CCC(CC)CC1	2017722641	QMJUKZFUAMDJNQ-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CCC[C@@]1(C)NCCCC1CCCCC1	2017867018	BTMSMOVPFPMTQX-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](CC)NC1[C@H]2CCC[C@H]1CC2	2018132704	VPYXTCMXWKCKEO-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@H](C)CC(F)F	2018188809	PNMAUPKQTRHGCH-CHWSQXEVSA-N	249.389	4.568	0	10	BJAE	
CC(C)[C@H]1CCCCN(CCCC(C)(C)C)C1	2019328231	ORWGIWYWKSCSLX-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCCCN(CCC1CC1)C1CCCCCC1	2020505474	CQBFPCCLEISKBP-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC1CCC(Nc2ccccc2C2CC2)CC1	2021026273	PGFLHULSLCJVRO-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)CCC(C(C)C)C(C)C	2022416057	YYOCRIQUPFTQPU-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCC[C@]1(O)CCC[C@H]2CCCC[C@H]21	2022992317	JUPBXNUYGNSJCF-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(-c2ccc(N)c(C)c2Cl)c(C)c1	2023975525	HXEOBTORWUZYPW-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](C)C2CCCCC2)C1=O	2023992916	ARCLKYYJYHJGNE-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H]1CC(C)(C)CC[C@H]1NCC	2024120664	YCHJZXJANQBQTQ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1(CCF)CC1	2026080382	RDSSHWUYIPSWPC-ZDUSSCGKSA-N	242.378	4.692	0	10	BJAE	
CC(C)(C)C1CCC(N[C@]2(C)CC=CCC2)CC1	2027008511	KWMPLIJAVVWBJV-VMBOVVBDSA-N	249.442	4.680	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H]1CCCC[C@@H]1C1CC1	2027023434	GJNTWHGBUBTJQQ-IAGOWNOFSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC1(C2CCCC2)CC1	2027372912	HSSAPGNXPDLWJM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@](O)(CCC[C@@H]1CC1(C)C)c1ccccc1	2027843894	UTUHNQZGVUVHMU-WBVHZDCISA-N	246.394	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@H]3CC[C@H]32)cc1	2027993503	XWWVSZSMFGJHIG-LBRJOISOSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCC1CCC=CCC1	2028873359	XYVCVLLDKQMDEC-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H](NC[C@@]2(C)C=CCCC2)CC(C)(C)C1	2030351399	JVYJYPZHTMMWRE-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)[C@@H]1[C@H]2CCCC[C@H]21	2033525007	RXHSLOIHGTXBAG-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CC[C@@H]3CCCC[C@H]32)C1	2034256375	IMZNCLLVLSJTRU-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)C1(CCC)CC1	2035575849	KRLKYZUCBIVXTD-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)NC[C@@H]1CCCC[C@H]1C[C@@H]1C=CCCC1	2035603391	ZBTPONOTEOCZJK-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC(C)NCC1(C2CC3(CC3)C2)CCCCCC1	2036180811	WIHVURVMGLGOKV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@H]1C=CCCCC1	2037273390	RJBGMSYFFYUBBA-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
C[C@H](C1CCC(N)CC1)[C@H]1CCC2(CCCC2)C1	2037692164	DIXMDABLHVETIZ-CIDNJEQPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2C=CCCC2)CC1	2039374260	GIHUYPJMBARZRP-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CC[C@@H](CC2(N)CCC3(CCCC3)CC2)C1	2040166531	PVEZRSSJLLLCDB-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC1(CN[C@H]2CCCC3(CCCCC3)C2)CCC1	2040762331	BQCBEGYSHOSJMS-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
N[C@@H](C[C@H]1CCC=CCCC1)C1CCCCCC1	2045315302	SFTOYDFUNYKDPH-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCCC1(CNC[C@H]2CCC=CCCC2)CCC1	2045321005	RKFHRHCNENRZBO-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](NC)C1=CCCCCC1	2045734071	YRTWLVWGCNQLBO-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CC2)C1(CCC)CCC1	2045817027	YPFPRKQEPDUTFS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047428543	ZNJBNFZJUBMJIQ-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@H]1[C@H]2CCCCC[C@H]21	2048364566	ZNFICSRVMVRFLJ-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)[C@H]1[C@H]2CCCCC[C@H]21	2049200723	LQJVXLLIHUMCKK-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2049218369	FUBYFQUZUGEDKX-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C1CCCCC1)N(C)C[C@H]1C=CCCCC1	2049426917	GVNDBACZZBQMTD-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC1(C[C@@H](N)C[C@@H]2CCCC3(CC3)C2)CCCC1	2049859190	QELCGELRXSGMCT-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@H]1CCCC2(CC2)C1	2049862353	FPYOHXXGWVKNTA-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C1(C2CCC2)CC1	2051908578	MQADCJXFAAYTNV-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(CC2CC2)CCCCC12CCC2	2053358536	PRUWZTYFXQRLEX-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1CCC(C[C@H](N)[C@@H]2CCCCC23CC3)CC1	2053415567	JVZJOSPDLCWDKZ-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@]1(CN)CCCCC12CCC2	2053421110	QEAWTVRZQUGNOX-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](CN[C@@H]1C=CCCC1(C)C)C1CCCCC1	2055532888	QOHHSXVOVRPRKH-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1Nc1ccc2ccccc2c1	2055577149	XAFQNMGLUSAXLB-DYVFJYSZSA-N	237.346	4.606	0	10	BJAE	
CN[C@H](C=C1CCCCC1)C1CC(C(C)(C)C)C1	2056884002	RINQNUOWCONMJH-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC(C(=O)C2(C3CC3)CCCC2)C[C@@H](C)C1	2057599163	SYMIAGIMOPACFN-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCC1(C2CC2)CCCC1	2057649316	PZACMUDOVFGHLR-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2058991259	IGMLUZZYOWRUSU-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@]12CCCC[C@H]1C2	2059177759	MDKJWWNANMFDMN-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CC[C@@H](C)C1	2060924474	FFRPGHQPDVCNEQ-XOSAIJSUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@](C)(N)C2CCCC2)CC1	2061117114	WKCZRARIUKCJFX-DYVFJYSZSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C1=CC[C@H](C(C)C)CC1	2061120449	XNUIPRWNZZHILO-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CCCC1([C@H](CC[C@@]23CCC[C@@H]2C3)NCC)CC1	2061571839	MZXLAWSPFPSIJI-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)CC[C@@]12CCC[C@@H]1C2)C1CCCC1	2061604914	CMGJRZNNIXZDHX-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(CC[C@@]23CCC[C@H]2C3)C1	2061618368	USUFTPJOOAAEBC-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063536203	PNAJYALDJTUMFE-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C23CCCC2CCC3)C1	2063861726	UCJKBCZXVAOSPO-TUBUQKNSSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CC23CCC(CC2)C3)C1	2065338506	SVRMSNAAXCXTML-RDHHWEPZSA-N	249.442	4.502	0	10	BJAE	
CC1(C)C[C@H]1NC1CCC2(CCCCCC2)CC1	2065893261	WSRGSFYOCKSXPQ-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](CC2CCC3(CC2)CC3)N1	2066375964	PQIVDZRSSOXEMW-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](Nc1cccc(C2CC2)c1)[C@@H]1CCC1(C)C	2068288749	SBMBUIICJWUZCF-WBMJQRKESA-N	243.394	4.801	0	10	BJAE	
CCN[C@H](CC[C@H](C)C(C)C)c1ccccc1C	2069017264	TZCLEEFZUYSUMY-WMLDXEAASA-N	247.426	4.718	0	10	BJAE	
CC(C)CC1(C(=O)c2ccccc2C(C)C)CC1	2069500101	KALUFZWAYMTNDC-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
C[C@H](NCC1(CC2CC2)CCC1)C1CCCCC1	2069504384	AGSQASVRNYDJJT-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](C)CC1)[C@@]1(C)C=CCC1	2072797353	YMBSGIPVXMREDW-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@H]2C2CC2)CC1	2072797511	ZXNNKOKDAAERSP-YQEWQEHLSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@H]2C=CCCC2)CC1	2072797699	BQBDTMBILOPFSF-SJJHQCBESA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)[C@@H]2C=CCCC2)CC1	2072802848	BQBDTMBILOPFSF-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CC[C@H]3CC[C@H]2C3)CC1	2072803360	HKGGFABKTFUBLN-BHIOZNAESA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CC2=C[C@H](N)CCCC2)CC1	2072811105	BIDDZGOKMWBXAR-VMBOVVBDSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H]1CCCN([C@@H]2C=CCCCCC2)CC1	2074797350	PUZWZWVHVHMBCF-DLBZAZTESA-N	249.442	4.778	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C[C@H]2CC=CCC2)CC1	2075167604	KBQORWPOGHRTSF-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@H]2CCC2(C)C)o1	2077978148	IFPCYSNTPGAHJF-CYBMUJFWSA-N	248.366	4.631	0	10	BJAE	
O=C(C[C@@H]1C[C@H]1C1CCC1)C1CCCCCCC1	2079330588	ZAGMTYCNCMHPMS-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCCNC[C@H]1C[C@H]1C1CCCCCC1	2079461842	LXYZVXJCLXFHBM-JQBWTISXSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2CCC3(CC3)C2)C1	2082981462	DENOGWMTBMKKRV-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc2cc([C@]34CCCC[C@H]3C4)[nH]c12	2083314567	JZZQZLRGAKQPIM-YOEHRIQHSA-N	239.362	4.562	0	10	BJAE	
FC(F)(F)C(F)(F)CCCCC1CC=CC1	2212616157	ASXAVGNOYOEPBQ-UHFFFAOYSA-N	242.231	4.711	0	10	BJAE	
CCC(CC)CC(=O)C1C[C@H]2CCC[C@H](C1)C2	2213280854	DIIARWRJNFVXKQ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
C[C@](O)(CCCCCCC1CC1)C1CCCC1	2213577054	XOKGIOYTYKSNNH-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@](C)(CC[C@@H]1C[C@H]1C)CNCCC	2215256489	VGSIIBMCYDODPU-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCCCC(F)F)CC1	2216454187	WPGQDNYDGFIFHU-TZMCWYRMSA-N	248.357	4.533	0	10	BJAE	
CCC(CC)(CC)CN(C)CCCCC(F)F	2216501275	UEHJYXHLWUJDJH-UHFFFAOYSA-N	249.389	4.570	0	10	BJAE	
CC[C@H](N)CCC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216748303	UUCRILVCBREXOQ-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
NC[C@@H]1CCC[C@@H]1CCCCCCCC1CC1	2216891638	HWVLYJMJYFILJH-HOTGVXAUSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](C)[C@]1(CN[C@H](C)CC)CCC[C@@H]1C	2217125957	RZIJNBSTIUFTBN-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@H]2C[C@@H]1C2	2217240691	GWYNYJSJAYZPGJ-IFUGULHKSA-N	249.785	4.503	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C12CCC(CC1)C2	2218719018	UKZUUGRPYHFQFS-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
Cc1nn(CCCCCCCC2CC2)c(C)c1C	2223109667	KPALLIPIBIXOJI-UHFFFAOYSA-N	248.414	4.559	0	10	BJAE	
CC[C@](C)(CNC1CCC1)CC12CCC(CC1)C2	2223553749	AFDCUGRVQDJBOU-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](C)C1(CNC2CCC2)CCC=CCC1	2223570306	YVLZQKWVDUWNMO-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](O)c1ccc(C2CCC2)s1	2244695210	SHTAAHNTAGXOSR-GFCCVEGCSA-N	238.396	4.629	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1c(C)sc(C)c1C	2244779588	DPKWUUWRDNQZFR-GXTWGEPZSA-N	240.412	4.533	0	10	BJAE	
CCCC(=CC[C@@H](C)CCCC(C)C)CN	2244845492	PUTZCQMFAQGVPP-AWEZNQCLSA-N	225.420	4.524	0	10	BJAE	
CC1CCC(N)(CC[C@@H]2CCC[C@@H](C)C2)CC1	2246727611	NQAGBYYJJNEHDT-FYRZTWFESA-N	237.431	4.501	0	10	BJAE	
CCCC(N)(CCC)CC[C@@H]1CCC[C@H](C)C1	2246729110	AWBZXSSYBNMHCV-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)CCC1CCCC1	2247131021	ZLBXPRFMSZUSOJ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@@H]1CCC1(C)C	2247316871	ZQNFWPLVDZFHLU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CCC1(C)C)NCCC	2247430001	BANVRMOADVCADG-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(N)[C@@H]1C[C@H]1C	2250474730	ILUFUIULDISOLG-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C(F)F)[C@@H]1CCCCCCCCC1=O	2253079461	NQDOZXRISMISIL-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
C[C@H]1CCCCCN1CC[C@H]1CCCCC12CC2	2253847849	BRJUSXAMMBZHQA-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCc1cc(F)ccc1NCCCC[C@@H]1C[C@H]1C	2254520869	JKJVJYRERSWJAO-TZMCWYRMSA-N	249.373	4.626	0	10	BJAE	
CCc1cccc(F)c1NC1[C@H](C)CCC[C@H]1C	2256140457	AMOFKLPQEOYPRY-VXGBXAGGSA-N	249.373	4.625	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H](C)CC(C)C)cc1	2256236169	CPUPITHBUNSOCC-AWEZNQCLSA-N	246.394	4.894	0	10	BJAE	
Cc1ccc2c(ccn2C[C@@]23CCC[C@H]2CC3)c1	2260580988	CIZOTUKJKRRXLN-RDJZCZTQSA-N	239.362	4.530	0	10	BJAE	
N[C@@H](CC[C@]12CCCC[C@H]1CC2)C1CCCCC1	2260648669	SZBWYLXMZPEFDK-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@]1(F)CNc1cccc(C2CCCC2)c1	2260661548	FSHHYJSXXVESOB-BLLLJJGKSA-N	247.357	4.504	0	10	BJAE	
CC1CCC([C@H](N)C[C@]23CCCC[C@@H]2CC3)CC1	2260677058	CNEFLIIRSRKGCN-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC=C([C@H](N)C2CC(CC(C)(C)C)C2)CC1	2261191500	QSFPSFBQQVCOPO-QTISTPMNSA-N	249.442	4.523	0	10	BJAE	
C[C@@H](N[C@@H]1CC(C)(C)CCC1(C)C)c1ccoc1	2261392539	OPWUYAZFLQICQG-TZMCWYRMSA-N	249.398	4.535	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)C[C@@]12CCCC[C@@H]1CC2	2298723581	HWRKGPMHJQQCGV-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CCCC2(CC2)C1	2300690619	KSHDKJPGATUDDC-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CCCC(F)(F)CC1	2300928083	BIEMFSYWNJMIRA-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](C)[C@H](C)C(C)C	2301701565	QHVZUGCLXSTFIE-PMPSAXMXSA-N	241.463	4.815	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@@H](C)[C@@H](C)C(C)C	2301837165	QVQCIBZGPVTHCL-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](C)C[C@H](C)CCCC1=CCCCC1	2302359698	TYCAMNRPYNVQKX-HUUCEWRRSA-N	237.431	4.681	0	10	BJAE	
CC1(C[C@@H](O)CCCCC2CC2)CCCCC1	2302569147	HMPLUEPYHQMHKA-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](C[C@H](N)[C@H]1CCC(C)(C)C1)CC(C)(C)C	2302659804	CJKCDGZFDIEURI-IHRRRGAJSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C[C@@H]1CCC(C)(C)C1	2302751558	UYRLLUKIDMOBSC-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCc1cscc1N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	2302884467	FTFRHRCEDGHMPZ-IMIFBBOLSA-N	249.423	4.547	0	10	BJAE	
CCN[C@@H](CCC(C)C)C[C@@H]1CCC(C)(C)C1	2302902594	RBLMMXQHXFFHHI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@@H](C)C(C)C)c1	2303716706	AYARPSQBNNKGOS-CJNGLKHVSA-N	234.383	4.526	0	10	BJAE	
CC(C)CCC[C@H](O)CC[C@H]1CCC(C)(C)C1	2304361612	WUQDQFXXWIEWDT-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CC[C@@H](CC[C@H]2CCC(C)(C)C2)C(=O)C1	2304448013	UCDRDWRUXBCSGZ-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)Oc1ccc2ccccc2c1Cl	2307638056	DTWOGJOFNZPHGC-NSHDSACASA-N	248.753	4.917	0	10	BJAE	
CCCNC[C@@](C)(C[C@@H](CC)CCC)C(C)C	2307842147	HWZFAMZDXSHAEA-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)[C@@H]1CCC[C@H]1C(C)C	2307900493	VIKOHMMVWUCVHF-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@@]12CCCC[C@@H]1CCC2	2308255320	VMCPZAKMSMHDMT-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	2308505737	JQMPNUXZSRCZFP-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C[C@H]1CCC[C@@H]2C[C@H]12	2309962637	ZNVWOYRNJSBBCY-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@@]12CCCC[C@@H]1C2)C1(CC)CCC1	2311144419	IHOJPSUPFYQEQF-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)C[C@@]23CCCC[C@@H]2C3)C1	2311163513	LYDWQWUYRCWKAJ-JWDQPFGJSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@]12CCCC[C@@H]1CC2	2313294760	IIZHWGBWDYRMRO-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CC(CC1CC1)CC1CC1)C1CCCCC1	2313602938	FESPBZLRHQDDPT-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@H](N)[C@@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316697458	LVCZGMMKHNTNMO-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CC1	2316873781	IDZGBXTVVNRMTN-VRKREXBASA-N	248.410	4.598	0	10	BJAE	
NC1CCC2(CC1)CC(=CC1CCCCCC1)C2	2316885723	SKKLMSCUNPPPCT-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1C[C@H]2C[C@H]1CC21CC1	2317037037	MGJWRBWVWBGRIX-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
COC(C)(C)c1coc2c(C(C)(C)C)cccc12	2318309788	VZSCQZAQWAAADC-UHFFFAOYSA-N	246.350	4.612	0	10	BJAE	
C[C@H]1CCCC[C@]1(CN)CCCC1=CCCCC1	2318592367	IHQGFUDQAUFSIS-DOTOQJQBSA-N	249.442	4.812	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@@H]1CCCC2(CC2)C1	2318883380	SMCFJYKULPHYSP-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@H]1CCCC2(CC2)C1	2318938324	IVGIKZGZVDQFJK-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(F)c(C(=O)C[C@H]2CCC(C)(C)C2)c1	2319286800	OFRDFCMOOFXIAI-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)C[C@@H]2CCC=CCCC2)C1	2319307642	CCALPKKQPFNMDJ-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
C[C@@](N)(CC[C@H]1CC[C@@H]1C1CC1)C1CCCCC1	2319751109	RIZNYITUKSPMMN-DJIMGWMZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cccc(C2CCC2)c1	2320650613	UEJUHHXNJTURRS-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
CN[C@@H](CCC[C@@H]1CCC(C)(C)C1)c1ccco1	2321645672	QHPVHEQJNOBKIA-KGLIPLIRSA-N	249.398	4.537	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccc(C)c(C)c2)s1	19920265	SGRDXNLITSAWIK-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(OCC)cc1	20519918	ZAFLXLTYTAEIGN-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CCCCC1CCC([C@H](N)c2ccccc2)CC1	20565542	XZEFBHSXHVXHCD-BDVYOWHSSA-N	245.410	4.683	0	10	BJAE	
C[C@@H](Nc1cccc(Cl)c1)c1ccc(F)cc1	21012404	UPPRJXKIKXQULP-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CN[C@H](CCC(C)C)c1c(C)c(C)cc(C)c1C	35491135	GZSZWOWXXHCFKA-MRXNPFEDSA-N	247.426	4.617	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)C(C)(C)C	37506485	ZSSJZSFXQQRQPD-HNNXBMFYSA-N	233.399	4.507	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)c1cccc(Cl)c1	50400301	KODAWPBHEOXKLL-FZMZJTMJSA-N	239.790	4.569	0	10	BJAE	
Cc1ccc(-c2cccc3ccccc23)cc1O	65340499	SAQWQAQMHWIPPS-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
CN[C@@H](c1ccc(C(C)(C)C)cc1)[C@@H](C)C(C)C	70123082	SJLRZOOHTLEEIR-XJKSGUPXSA-N	247.426	4.537	0	10	BJAE	
CCC[C@H](C)CCC[C@@H](NCC)C(C)(C)C	70747424	KCPSMJOAWQKMAG-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
Cc1ccccc1Nc1cccc2ccccc12	71619110	JHYLYMGVNAQPKZ-UHFFFAOYSA-N	233.314	4.892	0	10	BJAE	
CC(C)C1CCC([C@H](O)CCC(C)(C)C)CC1	87961988	QGNQFLZBINPYCI-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](/C=C1\CCc2cc(N)ccc21)CC	94338492	HUFASCMQKPZHFJ-UQRISPGASA-N	243.394	4.815	0	10	BJAE	
C/C=C\C[C@@H](C)c1ccc(Br)s1	107596956	SEIUHMLHKGIEEC-TUUFMJSCSA-N	245.185	4.580	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1cccc(C)c1	111817361	NUJDNPOJRPRJDF-ZBFHGGJFSA-N	234.383	4.635	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H](C)CC(C)(C)C	124747195	UNTWRSPJTPAUJJ-KGLIPLIRSA-N	227.436	4.747	0	10	BJAE	
Cc1cc(F)cc(C(=O)C2CCCCCCC2)c1	158831534	ARNPOQYPXWHBOH-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCn1c(-c2ccccc2)ccc1-c1ccccc1	196639155	AFGAQDRKSIQPRD-UHFFFAOYSA-N	247.341	4.842	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](c1ccccc1)C(C)C	212662672	TXXIJDRKJVGHRT-IAGOWNOFSA-N	247.426	4.595	0	10	BJAE	
Cc1ccc2[nH]c(C3CCCCCC3)cc2c1	216297678	UBYJCGFBFOEZMH-UHFFFAOYSA-N	227.351	4.914	0	10	BJAE	
C[C@@H](N[C@@H]1CCC12CCCCC2)c1cccs1	230164323	LMHGZIGLBMZUEY-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
CC1(c2c[nH]c3ccc(F)cc23)CCCCC1	232824093	NSWGWFZEHFBZQT-UHFFFAOYSA-N	231.314	4.529	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(C)cc1Cl	232946020	VNVRTRWKTTYASN-AWEZNQCLSA-N	239.790	4.619	0	10	BJAE	
CCCC[C@@H]1CNc2c(Cl)cc(Cl)cc21	232999773	NZWNNHFIXIUZRH-MRVPVSSYSA-N	244.165	4.693	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)C1CCC(C)(C)CC1	233289808	WOCICVCXCOWWDE-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@H](C)C[C@H]1C	250431400	IPACVZQWQKRCIA-JGGQBBKZSA-N	245.410	4.794	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C1C[C@H](C)C[C@@H](C)C1	253040194	KELKPEJZDZNCGS-NYTXWWLZSA-N	239.447	4.602	0	10	BJAE	
CCc1oc(C(C)C)c(-c2ccccc2)c1C#N	260375502	WQKIZDFUNKJKRK-UHFFFAOYSA-N	239.318	4.504	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@@H](C)CC(C)C	300864118	GUBJDMORYCCPFQ-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CC[C@]1(CCC2CCCCC2)CCCCCN1	302287302	WIELIPUNOHZDLI-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
Fc1ccc2sc(C(F)F)cc2c1Cl	307023475	GCMDRPPHBRVRCT-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)C1CCC(C)CC1	308044177	DTKVVNJQIQVIKI-CKUJCDMFSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CCCC(C)(C)C)[C@H](O)c1ccccc1	309993976	PPLLRSJBFYSOIP-HIFRSBDPSA-N	234.383	4.573	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1ccccc1C(C)C	310364656	VBMLQZJGFAOYTP-CZUORRHYSA-N	233.399	4.507	0	10	BJAE	
Cc1ccccc1CC[C@H](O)CCCC(C)(C)C	310579787	ZEDIGMOUZFKOHG-MRXNPFEDSA-N	248.410	4.505	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C1CCC(C)CC1	318475669	YYUAGEUCCOOVOM-ZBCRRDGASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1csc2ccccc12	319624852	BDEYOWRIWKAUIQ-WDEREUQCSA-N	246.375	4.766	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)C)cc1)C1CCC1	322261182	HFBZGFLNUJKOQR-INIZCTEOSA-N	231.383	4.801	0	10	BJAE	
Cc1ccc(O[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1C	379880754	UVLMSEXOCDSWSZ-DUVNUKRYSA-N	232.367	4.507	0	10	BJAE	
C[C@H]1C[C@H](n2ccc3cc(F)ccc32)CC[C@H]1C	379970332	MCZFDZIPRYBHEX-TYNCELHUSA-N	245.341	4.778	0	10	BJAE	
CCCCCC[C@@H](CC1CCC(C)CC1)NC	380051179	LXOCECFYQRVXGA-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1cccc(NC[C@]2(C)CCCS2)c1	383079112	SRXDSCMTHSLVCO-HNNXBMFYSA-N	249.423	4.508	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CCCCCC(C)C)C1	383152833	HVVSIFIYNBAWCZ-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@H]1CC[C@H](CC)CC1	393293629	SMUWEJNKERYWGF-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(N)(CCC2CCCCC2)CC1	393963621	XUANLXNEDJLPAB-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
Cc1c(C(F)(F)F)cc(C)c2sccc12	396204238	WLJGYPQZGKUSTR-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC1=CCCC1	401055598	CNSFXOZHQBUIMK-UHFFFAOYSA-N	230.351	4.608	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)CC(C)(C)C1CC1	405768819	MAXBEXUDGINOBP-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@]1(CCCC1CC1)CNC1CC1	405972001	VMIULUKBIRMKIR-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)c1ccc(C)c(C)c1	686310897	OZMNYFAPBBSYKI-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CC(C)(C)CCC1(CNC(C)(C)C)CC=CC1	690474687	VBZIWKCETFZCLP-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](C(=O)O)C1CCCCCC1	694637410	OGOPUGYJDGWYPD-AWEZNQCLSA-N	240.387	4.628	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C2CCC3(CC2)CC3)C1	695665848	FBDLNXNEDUYJIN-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)NCC1CCC2(CC1)CC2	695684069	RXYRFGPMNSDJCY-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)c1ccccc1	696187566	UCXPUFRQQNECQP-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C(CC)CC	696644210	GVCXXMOEJGIPOX-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C(C)(C)CC	696646668	PLPPINXFYXJJOW-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@](C)(CCC(C)(C)CC)C(C)C	696679310	RYRKLYQZXGUUET-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1ccc(C2CC2)cc1	696686161	ZOLPNENMLDFJQI-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCCc1ccccc1O[C@@H]1C[C@@H](C)C[C@@H](C)C1	699505907	IDRLMIQBHJXVJC-FOLVSLTJSA-N	246.394	4.843	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@]1(C)CC1(C)C	702166538	RPFDPEHEQKWTGV-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)[C@@H](C)CC(C)C)cc1	704756544	VEEMTVZVSBZHRW-ZQIUZPCESA-N	247.426	4.882	0	10	BJAE	
CCCCCC[C@@H](C)NCC[C@H]1CC=CCC1	706961157	QBBMPRFHGUVTHU-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)C1=CCCCCCC1	708300552	DLMJHHMYMONBRY-ZFWWWQNUSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(O)CCCCC[C@@H]1C	709193283	MMYSACPUYGMEIN-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@H](CC)C(C)(C)C	711101570	CCPMVDWPZIPSQO-UONOGXRCSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](C[C@@H](N)c1ccsc1C)C(C)(C)C	711107377	TVYJBLIVIKARNZ-DGCLKSJQSA-N	239.428	4.519	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@H](C)C(C)(C)C)C1	711224255	IFDBBFPNQCMTFQ-LZWOXQAQSA-N	239.447	4.604	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2C[C@H]3CCCC[C@@H]32)c1	712383984	HGOZOFXMNUTAET-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
CCc1ccc(N[C@H]2CC(C)(C)CC[C@H]2C)cc1	713056011	BTXFIFBRWBTOSC-CJNGLKHVSA-N	245.410	4.876	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CC(C)(C)CC[C@@H]1C	713063371	FCZVNUKRTXQMIC-XHDPSFHLSA-N	249.373	4.761	0	10	BJAE	
C=C/C=C/CC[C@@H](NC)[C@@]1(C)CC[C@@H](C)C1(C)C	713725045	LJQAVSLIKIZMEB-AEPXWHMWSA-N	249.442	4.559	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CC[C@H]2CCCC[C@@H]21	714304933	QZGLKXCJOZVUMT-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1cscc1Cl	718495495	OQZHXUISBJVLMD-LBPRGKRZSA-N	243.803	4.538	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CCCC(C)(F)F	718584975	PSAGBHXDEHRHDP-TZMCWYRMSA-N	248.357	4.533	0	10	BJAE	
CC(C)=C(C)CCc1cccc(OC2CC2)c1	718646772	IHJULIRGPCKABY-UHFFFAOYSA-N	230.351	4.517	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC(C)(C)c1ccccc1	721709579	JLUZPHPHLXBYFK-HNNXBMFYSA-N	248.410	4.542	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1c(C)sc(C)c1C	722499679	ZLBNKHYPXULAAH-LKFCYVNXSA-N	240.412	4.533	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CC1CC(C)(C)C1	723531484	KSNFIMSMMASHTN-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C[C@@H](N)CC1CC(C)(C)C1)C(C)(C)C	723558046	SFWISKPQTRPBGO-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)c1ccc(F)cc1	1258074276	FPTSCUXYLKTTJP-KGLIPLIRSA-N	249.373	4.611	0	10	BJAE	
CCC1(CC)CCC(N[C@H](C)C2CCC2)CC1	1662145165	FWUPYJDBICOOLT-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
C=C=CCCc1c(Cl)cc(C)cc1Cl	1893729842	PUBDNHVCIRCXSC-UHFFFAOYSA-N	227.134	4.576	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C(CC)(CC)CC	1897613889	WRMMCBULPJSUBO-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CCC[C@H](C)CC1	1900899578	CEKHAJYSAMCVJY-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CCC(CC)C(=O)C[C@@H]1CCC(C)=C(C)C1	1902847705	JCEJCNNBQFZGCX-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCCC=Cc1ccccc1	1911999321	DKRABCMGBLKELB-HOTGVXAUSA-N	245.410	4.504	0	10	BJAE	
CCC(C)(C)[C@H](CCC=Cc1ccccc1)NC	1912086607	CUZPEGDEGSFSSJ-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
CCC1CCC([C@H](N)C2CC3(CCCC3)C2)CC1	1912643635	BEGAZXGUFAAVHE-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1([C@@H]2CCCC[C@H]2C)C=CCCC1	1916570314	ZEVSNFZLRARNAH-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccccc1NCC[C@H]1CC1(C)C	1921547003	SMXZSNZELNQCEF-ZDUSSCGKSA-N	231.383	4.658	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@H]1CCCC12CCC2	1921628637	AGKMDIOHPOFWCJ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC2CC2)CCCC12CCC2	1921632696	JHCJLOQGJDVIHC-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)CC1[C@@H]2CCCC[C@@H]12)C1CCCCC1	1924099095	QFGTUMZEBWWFCP-NWANDNLSSA-N	248.410	4.598	0	10	BJAE	
CCc1cscc1C(=O)C[C@@H]1C=CCCCC1	1925734842	OVLSHDKJIOYONL-GFCCVEGCSA-N	248.391	4.630	0	10	BJAE	
Fc1cc(Cl)ccc1C[C@H]1C=CCCCC1	1925816956	LSMQESBCTPNBMO-NSHDSACASA-N	238.733	4.768	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H](C)CCC(C)C	1937162828	FDJAZQQOGULRML-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)CCCC2(C)CC2)CC1	1940878162	UTRZAFCLPKRZHA-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CC1(CC)CCC1)NC	1941263972	PYJLSTHDBZTEPQ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(NCc2cscc2C)ccc1C	1941467864	JSVZKYGJZMXXSO-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CCCC[C@H]1C(C)C	1942655362	IITDIWLCSYJAIL-JYJNAYRXSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1ccc(C(=O)C(C)(C)C(C)C)cc1	1944641446	LALOPMOYCLITQL-UHFFFAOYSA-N	232.367	4.675	0	10	BJAE	
Clc1cccc(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)c1	1946282437	FSCUZXMTAUQQFK-JJLQDPRZSA-N	249.785	4.721	0	10	BJAE	
Cc1nc(C[C@H]2C=CCCC2)sc1C(C)(C)C	1947565685	QYDZLBYMLRBYOT-LBPRGKRZSA-N	249.423	4.648	0	10	BJAE	
CCCc1ccccc1CC[C@H]1C=CCCC1	1947566666	ZAMZBCVPZGYJDY-HNNXBMFYSA-N	228.379	4.928	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CCCC(C)(C)C	1948979534	PQYYDBHXSSVKDG-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)[C@@H](O)[C@@H]1CCC2(CCCC2)C1	1949420805	IOCNUYJQXMSXDO-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC(C)C)C(C)(C)C	1949826372	GPCLBYBQYZNIHS-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1CCC2(CC2)C1	1950262513	IOJPVYGBHFMBJM-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC=C[C@@H](NCCC)[C@H]1CCCC(C)(C)CC1	1950914862	UJCDPKNCZARNCX-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC=C[C@H](C)Cc1cc(C)cc(C)c1OCC	1951308373	FSINOHPAQKFOFQ-ZDUSSCGKSA-N	246.394	4.847	0	10	BJAE	
CC(C)=CCCC(=O)c1cc(Cl)sc1C	1959933233	AURRARKESSMCME-UHFFFAOYSA-N	242.771	4.639	0	10	BJAE	
CC1(c2cccc(NC[C@@H]3CC=CCC3)c2)CC1	1966013443	HEVQOIQOQRIYLE-CQSZACIVSA-N	241.378	4.506	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCC[C@@H]2C2CC2)CC1	1966050328	ZMGSVXUBOGIVHP-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1CCC2(CC2)C1	1968298913	MBLBFFJZVNNFNJ-CQSZACIVSA-N	243.394	4.802	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@H]1CC[C@H](F)C1	1968320816	RKIBOFUMAWGBAZ-STQMWFEESA-N	249.373	4.534	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CC[C@H](C)C1	1968602312	IXVMZQKGBATRED-DZGCQCFKSA-N	245.410	4.967	0	10	BJAE	
CC1(C)CCC[C@H](Nc2ccc(CCF)cc2)C1	1970094164	ZVFKEZHULCBIPK-HNNXBMFYSA-N	249.373	4.579	0	10	BJAE	
CCC(C)(C)CC[C@H](CCCC(C)C)NC	1978503173	YYPMCTKWQOWXQV-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)CC(=O)c1ccccc1Cl	1980684572	IIHPBBDAXXZIAD-WDEREUQCSA-N	238.758	4.595	0	10	BJAE	
CC=CCCCCC[C@@H](CCC)NCCC	1984632072	IXWPCPQTIBBYLM-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CCCCCc1ccc([C@@H](CC)NCC)s1	1991778481	PIWOEVHPQWYLHA-CYBMUJFWSA-N	239.428	4.541	0	10	BJAE	
CC[C@@H](c1nc(CC2(C)CC2)cs1)C(C)C	1995469306	IZIZHJGERAMJKM-GFCCVEGCSA-N	237.412	4.635	0	10	BJAE	
CC[C@H](C)[C@H](C)n1ccnc1C1CCCCC1	1995885638	OMDAHLILPHFHDQ-STQMWFEESA-N	234.387	4.538	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@H]1CC[C@H](C)C1)C(C)C	1996232054	ZKLNBKDFBANSLQ-KKUMJFAQSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)C[C@]1(O)CCCC2(CCCCC2)C1	1996647646	PJLHLLQEWVTUOG-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)[C@H]2CCC[C@H]1CC2	1997561551	WOTIUWKVAHRJOC-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](N)CC1CC(C(C)(C)C)C1	1998240107	MEBUKKWHNVESMF-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@H](C)CC[C@@H]1CCC=CCCC1	1999991427	ASDYOKNXUWJPFK-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H]([C@@H](C)CC(C)C)C(CC)(CC)CC	2000375238	AEYVCQOCCYXDRR-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)[C@H]1CCCC(C)(C)C1	2003004736	HJEBWKKNWXWANB-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@]1(C)C=CCCC1	2003326658	OHDJZJXYPJOSQW-IJEWVQPXSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CCC1=CCCC1)c1cccs1	2003685451	KTEQDAVQHHDIPJ-CQSZACIVSA-N	249.423	4.679	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC(C)(C)C1CC1	2004225079	BKICXTLYAIXELS-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC1CC(CC(O)(CC(C)C)CC(C)C)C1	2007762223	WYLOQSBRQKJNKG-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H](CC)C(F)F)cc1	2009033580	KWPMIMIYZZLQEV-GXFFZTMASA-N	241.325	4.656	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CCCC2(C)CC2)CC1	2009404727	QLKGBLAPECZYGK-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)CC[C@@H]1C[C@H](C)CC	2009407827	PMYPLFMKKIYSPO-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)CCC2(C)CC2)C1	2009550738	BDGCXGKMGJMODC-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](CC1CCCCCC1)NC	2009620128	RQYXIJDPGNOKJU-CWDCEQMOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C1=CC[C@@H](C)CC1	2010622379	KVLWKKNRBOZSSW-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@](C)(N)CC12CCC(CC1)CC2	2012836782	PZXJQWIKKQVJFB-PCKAHOCUSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@@](C)(O)C2(C)CCCC2)CCCCC1	2014322891	GYFGFTZSLVWDMC-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@@H](C)NC1CC(CC(C)(C)C)C1	2014657752	ODBJIALFFPHFDV-WLYUNCDWSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(O)CCCCCC1CC1	2014906219	ZQUVSAOQVZMMLZ-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)(C)C)C[C@@H](C)C(C)C	2015277573	IAXDQZLLPUXRPJ-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1(CC(C)C)CC1	2015755933	XTXJCEKTUCQXBP-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)C1CC=CC1	2016339678	FBWFSJJMERZYCW-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C[C@]1(C)C[C@H]1C)C(CC)(CC)CC	2016392346	YHHGXRJHJKYQBP-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)(C)C)C(C)=C(C)C	2017485543	FVCZIGLCIGJYCN-ZFWWWQNUSA-N	239.447	4.783	0	10	BJAE	
Cc1cccc(C)c1NC[C@H]1CC[C@H](C)CC1	2017722303	PGCRDTQHLSGCNA-NNUKFRKNSA-N	231.383	4.542	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1CC[C@H](C)CC1)NC	2017724023	LXOCECFYQRVXGA-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1[C@H]2CCCCC[C@H]21	2018131111	MJZLYOVAEXYLNW-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@@]12CCCC[C@H]1C2	2018588341	TYNVEHFSYKUYTE-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCC1(C[C@@](C)(N)C2CCC(C)(C)CC2)CC1	2018910202	IXGKIUBZAQVEGR-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)[C@H]1CC[C@@H](C)[C@H](C)C1	2019123036	ANSGVSOVFHYAKH-KBXIAJHMSA-N	239.447	4.568	0	10	BJAE	
CCc1ccc(N(C)CCCC(C)(C)C)cc1	2019328945	XBMBCYMYBFIHPL-UHFFFAOYSA-N	233.399	4.512	0	10	BJAE	
CC(C)CCCCCN(CCC(C)C)C1CC1	2019340153	KJBBUUSQKNPAEC-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C(C(C)C)C(C)C	2020968457	VZWCPHUREAZEST-INIZCTEOSA-N	239.447	4.639	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)C1(C(C)(C)C)CCC1	2022561591	WGOIVUDQSWPOBY-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(=O)[C@@H](C)CC1CC(C)(C)CC(C)(C)C1	2024101630	MBOUXFWLWVIOLD-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CCC1(F)CCC1	2025253385	DQRGFDQQYKUOQP-CYBMUJFWSA-N	240.362	4.588	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C1CCC(C)CC1	2026141741	GOLJKSCOMHLABI-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](NC)c1ccccc1C(C)C	2027518334	QAVORKZAUNLKSE-CPUCHLNUSA-N	245.410	4.507	0	10	BJAE	
CC1(CCCC2(CNC3CC3)CCCCC2)CC1	2027822136	OYGFWLIFDLRNHV-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(C(=O)CCC[C@@H]2CC2(C)C)c(F)c1	2027842598	JQNACUIWIHDTBZ-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CCC[C@@H](C(=O)CCCc1ccccc1)C(C)C	2028255588	RGVWMKZOMBYAIQ-MRXNPFEDSA-N	246.394	4.651	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1cccc(C2CC2)c1	2028548332	CNWZXIVWDHWOCX-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CCCCC[C@@H](NCC)c1ccccc1C1CC1	2028561064	WROHHIMQQCAXAS-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccccc1C1(C)CC1	2028561472	AQDYBJXNPVLGGT-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CC(C)Cc1ccccc1[C@H](N)CCC(C)(C)C	2028917257	AYSJGICHNHGRPN-MRXNPFEDSA-N	247.426	4.711	0	10	BJAE	
C[C@H]1CCC[C@@H](c2ccc(C3CCCC3)cc2)N1	2031750366	RLRMHKXLWVVDDE-GUYCJALGSA-N	243.394	4.547	0	10	BJAE	
Cc1ccccc1C(=O)[C@]12CCCC[C@H]1CCC2	2031853285	VKFBQAAWARYHTA-YOEHRIQHSA-N	242.362	4.538	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNC1(C2CCCCC2)CCC1	2033057824	YKPZNLNLLSJKNC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCOc1ccccc1NCC(C)(C)C(C)C	2034020643	NTRUYZNUVVPZQU-UHFFFAOYSA-N	249.398	4.570	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)c(C)c1	2035413055	UKSJMHIEZSPVPR-XYPHTWIQSA-N	245.410	4.786	0	10	BJAE	
CCCN[C@@H](c1c(C)coc1C)C1CCCCC1	2035532991	RVWJDJRECVXWHK-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)C[C@H]1CC1(C)C	2035601459	SJTLGJHMKWMOEY-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(CC2(N)C[C@@H]3CCCCC[C@H]3C2)C1	2035852787	NEIHLBAXILTQHZ-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(N)CCCCC23CCC3)C1	2035924662	KYGJMFYNIGXNPB-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@H]1CC12CCCC2	2036129541	QZHJEPXLYOMPPG-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](N)[C@H](c1ccccc1)C(C)C	2037127287	SIOWBAMOHPKAKC-CVEARBPZSA-N	247.426	4.580	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CC1CC2(CCC2)C1	2038084571	BDQBPGQEMXXBOA-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@@H]1CC12CCCCC2	2039004945	DTLUEKJPYKRPAQ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@H]1C=CCCCC1)c1ccccc1	2039031788	HXFMRJOJYNNBBY-IRXDYDNUSA-N	243.394	4.616	0	10	BJAE	
CCCN[C@@H](CC1CCC1)CC12CCC(CC1)C2	2039419241	CUKBJOJSXLMBIJ-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC(C(=O)C[C@H]3C=CCCC3)C2)C1	2039421890	OWMQHOGPOSQFHB-ZDUSSCGKSA-N	246.394	4.518	0	10	BJAE	
C[C@H](CC1CCCCC1)NC1[C@H]2CCC[C@H]1CC2	2042051697	KKBMOQAVRAAQJU-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
C=CC=CCC[C@H](NCC)C1CC(C(C)(C)C)C1	2043002638	PTEUQVGPIFBONK-GPANFISMSA-N	249.442	4.559	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C1CC1)[C@H]1C=CCCC1	2043194731	OTAGBQIIPJYMPH-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC1CC([C@@H](C)Nc2cccc3ccccc23)C1	2043543092	HPYJTKRJCXJSLR-JVWICGRDSA-N	239.362	4.686	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC2CCC(C)CC2)C1	2045561641	GVZXMLGFFBAPCY-FQSHHYAASA-N	248.410	4.764	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)[C@@H]1C=CCCC1	2045981571	NXIHKJGWLQEYTK-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2CC23CCCCC3)CCC1	2047034824	YOJOCHQPDCPJIX-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCCC1([C@H](N)CC2[C@@H]3CCCCC[C@@H]23)CCC1	2048435847	GCKZXSVKMCRHAS-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCCC1)CC1[C@H]2CCCCC[C@H]12	2048454393	WDIUKJWTXJEWHD-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CC1)C[C@@H]1CCCC2(CC2)C1	2049850729	ZVAQXMBRZAHWEQ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC[C@H](C)C(C)(C)C)c1ccc(C)cc1	2050429619	YRXLRUZOSMXQIZ-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
C1CCC(CCN2CCCC[C@H]2C2CCCC2)C1	2051670170	AHXHDKRMHXAKED-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCCC23CC3)CC1	2053330185	ARHJFACQUQPORD-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](Nc2ccc(CF)cc2)C1	2055679060	YINJSOXTKLWLRS-GDBMZVCRSA-N	249.373	4.783	0	10	BJAE	
CC=CCCCC(=O)c1cccc2ccccc12	2059203215	ICIVXDBNVNUEGZ-UHFFFAOYSA-N	238.330	4.769	0	10	BJAE	
CCCCC1CC(N(C)CC2CCC=CCC2)C1	2059476578	CPYBTSCCIVLTIN-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
Cc1cccc([C@H](O)CC2=CCC(C)(C)CC2)c1	2061091795	LJMIVWQECUPSFN-MRXNPFEDSA-N	244.378	4.555	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063501223	NIZYZXOKVDEMJB-DDBYYKKRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(=O)C[C@H](C[C@H]2CCC=CCCC2)C1	2063712631	FVMBGRFHTVFAQW-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)C1CC2(C1)CC(C)(C)C2	2063803460	IHMMWNBLTDTEAC-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CC12CCC(CC1)C2	2065276999	JPMORVRKLGXXFA-KRIMKBQASA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CC=CCC2)CCC1(C)C	2068231350	XKNQZPOPRLQCQG-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C(=O)CC1C[C@H]2CC[C@@H]2C1)C1CCCC1	2068707055	FDUSMWZBBBESRP-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)c1ccccc1CC	2068823405	QVOWPQLVWWRBPD-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1cccc(C(C)(C)C)c1	2068986997	NUMAKEMQDIZAJI-CYBMUJFWSA-N	246.394	4.849	0	10	BJAE	
CCCC1(CC2(CNC3CC3)CCCC2)CCC1	2069341425	FIIDUGAOILWTLI-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C2(CC3CCC3)CC2)C1	2069581988	WVTVNMPHUKQCKL-NHAGDIPZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCNC1CCC2(CCCCC2)CC1	2071465857	MPKCTWLZNSHPMS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](O)CCC2(C(C)C)CCC2)cc1	2071905584	XQQNYNSXJARDDY-MRXNPFEDSA-N	246.394	4.635	0	10	BJAE	
Cc1ccc([C@H](O)C[C@H]2CC[C@H](C)CC2)cc1C	2072669308	MDLIXEIEYQMQDC-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)C=CC[C@H](C)C2)CC1	2072880622	YFUXJULHSGPMMA-ZGRYLRDCSA-N	249.442	4.667	0	10	BJAE	
CC(C)CN(C[C@@H]1CC=CCC1)c1ccccc1	2075168721	UZBCWCJNMWTIBP-MRXNPFEDSA-N	243.394	4.505	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCC3(CC3)C2)C1=O	2076451521	VMSRQRJNVNXQQM-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1[C@H](N)C[C@@H]1CCC=CCCC1	2079987913	YBLWZEDLQKXHJL-KLHDSHLOSA-N	249.442	4.523	0	10	BJAE	
CC(C)=CC[C@H](N)c1ccc(C2CCCC2)cc1	2081786398	RIIQJVMWDKXBFR-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
C(CN1CCCC[C@@H]1C1CCCCC1)=C1CCC1	2081801982	HZYQWVMFYHIGKB-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
CCC1CC(CC(=O)C[C@H]2CCCC3(CC3)C2)C1	2085001899	SRSMKQSASOHBQB-SHARSMKWSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CCCN)CCCCCCCC1CC1	2212461614	JDYCPRLIXRGGJM-AWEZNQCLSA-N	225.420	4.502	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213288347	UTKUKUDLUHNBGH-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
Cc1c(CC2CC=CC2)cccc1C(F)(F)F	2214849897	GUTMGMKTMSNIBL-UHFFFAOYSA-N	240.268	4.523	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@@]1(C)CC=C(C)CC1	2215816516	JIGVAYLFBTUUMB-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCCCCN[C@H]1CCC[C@@H](C(C)(C)C)C1	2216259624	UWSAYQIFSZRQJR-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CNCCCCCCCC1CC1	2216882811	CRJPVDVHDLAPIJ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)(CNC1CCC1)CC1(C)CCCCC1	2217127286	HEBTZABDKTYEEK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@]1([C@H](N)CCCCCCC2CC2)C=CCCC1	2218735890	SKOQYGHWSQIJOB-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CC[C@@H]1CCCC2(CC2)C1)C1CCCCC1	2220290586	BLEYJRMJRLMBJK-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@H]1CC[C@H]1C	2220517769	BYOIRZYIWOXVAQ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)C[C@@H](C)CCC1=C(C)C	2220959941	LFYPXKOCIMPERP-IVSAIRAKSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CC1CCCC1)CC1(C)CC2(CCC2)C1	2221016350	NANJFDWHGWMMSK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@H](CN[C@H](C)[C@H]2CCC[C@H](C)C2)CC1	2221632684	RDMDATWLKFGAPB-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CC=C(C)CC2)CC1	2221664609	WQNBKAHTIKVRAO-IKGGRYGDSA-N	249.442	4.824	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CC=C(C)CC2)CC1	2221669214	VRDMWAGFGRBUSQ-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](N[C@@H]2CCC3(CC3)C2)C1	2222257645	KZAQOFVDAMWTJX-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CCNCC12CC2	2223130121	JKBBGKIZDLKMPH-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)C[C@H]2CCC[C@H]21	2223154384	JFPKPCOGHNIJOU-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CNC12CCCC2	2223162896	UXQNVKVMICLYML-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCC(CCC)[C@H](O)c1csc(C)c1C	2242644052	LYXWHNDFKXJURV-AWEZNQCLSA-N	240.412	4.615	0	10	BJAE	
CCCCC[C@](C)(N)CCCC[C@@H]1C[C@@H]1C	2243053458	QPRPPKNWOQRPGX-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNC(C)(C)C(C)(C)C)C1	2246688025	RZBBWNAJQYIHOM-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@](C)(O)C1CCCCC1	2247117674	FGXORVVJZLFKBT-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc2oc(CC3=CCCCC3)cc2c1	2247512134	YIUZQHLJXRXXHI-UHFFFAOYSA-N	226.319	4.784	0	10	BJAE	
Cc1ccc([C@H](C)N(C)CC2=CCCCC2)s1	2247525452	NZQTWBAZCFVSCD-ZDUSSCGKSA-N	249.423	4.550	0	10	BJAE	
Fc1ccc(Cl)c2[nH]c([C@@H]3CC34CCC4)cc12	2248305392	AOHKWYXDQNRROU-VIFPVBQESA-N	249.716	4.618	0	10	BJAE	
CCCCCCC(=O)C[C@H]1CCC[C@H]1C(F)F	2249201622	HYODXCRAUWUPTK-DGCLKSJQSA-N	246.341	4.597	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@@H](C)C2)cc(C)c1C	2249490473	GYFACZCMOMZMGG-ABAIWWIYSA-N	231.383	4.602	0	10	BJAE	
CC[C@](N)(CC[C@@H](C)CCCC(C)C)C(F)F	2250516388	IDXQMDUIOIYMMT-JSGCOSHPSA-N	249.389	4.602	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@]12CCC[C@@H]1CC2	2251118424	NDVXPNSIHSGZPP-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
Clc1ccc(NC[C@]23CCCC[C@H]2CC3)cc1	2251171853	QDDKGRNTHRNRNR-SWLSCSKDSA-N	249.785	4.722	0	10	BJAE	
CC(C)CC[C@@H](C)N(CCC(C)C)CC(C)C	2252639766	LJQRTSRQFLAPAY-MRXNPFEDSA-N	241.463	4.815	0	10	BJAE	
CC(C)C[C@@H](C=CC[C@@H]1CCCCC12CC2)CN	2253816821	UXKBLCVAECCJAH-CVEARBPZSA-N	249.442	4.524	0	10	BJAE	
CCCN[C@H](CCCC[C@@H]1C[C@@H]1C)c1ccoc1	2254607935	USTYTPZYZNAPQJ-SQWLQELKSA-N	249.398	4.537	0	10	BJAE	
CCCNC[C@]1(CC2=CCCCC2)CC=CCC1	2255093458	ZEOGXJRFTMEFFU-QGZVFWFLSA-N	247.426	4.603	0	10	BJAE	
O[C@H](CC1=CCCCC1)C1CC2(CCCCC2)C1	2255103450	UPVCIZJUPARROV-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CC[C@H](C(C)C)C1	2256147745	TXPLXDHIOTZNNU-UONOGXRCSA-N	249.373	4.625	0	10	BJAE	
CC(C)(C)c1cccc(NC2CC3(CCC3)C2)c1	2257964453	ZJHQVXPKXGOMBD-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
CCC[C@@H](CC)CNCc1ccccc1C(C)C	2259463222	COWLDWSGICOPET-OAHLLOKOSA-N	247.426	4.726	0	10	BJAE	
CCC1CCC(NC[C@@]23CCCC[C@@H]2CC3)CC1	2260527977	PXSZQZDSNIKHFR-MYBQVCMBSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@H](N)C[C@]23CCCC[C@@H]2CC3)CCC1	2260604060	NGTQJHLLEYPJFR-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC1CC(CCc2ccccc2N)C1	2261297559	ZDYPAWPAEYOLEJ-UHFFFAOYSA-N	245.410	4.664	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H]1CCNc2ccc(F)cc21	2261336054	AMUHBZVSPVWUHS-UPJWGTAASA-N	247.357	4.551	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)C[C@@]12CCCC[C@@H]1CC2	2298727362	VUJCZYHEBJCSJU-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(C1CCCCC1)[C@@H](C)CC1CCC1	2298919134	BHTHCWXYVFDCSD-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H](C)CC1CCC1	2298925407	DOLRUAGZUBTLMT-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@H](C)C1CCCCC1	2298942197	JTNUNMVENOZRQC-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCC1(N)CC(C)(C)C(C)(C)C1	2300698384	ZWHDTGMCXZKGSL-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CC1CCCCCC1	2301146534	ZTVGDEILUHIWTC-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(-c2nc([C@H](C)C(C)C)cs2)cc1	2301915360	PLDZHXXBYAUYPZ-GFCCVEGCSA-N	245.391	4.878	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)CCC1=CCCCC1	2301929242	TWWNZDXFGAESHG-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H]1CCC(C)(C)C1	2302895199	GJULVVABCPMSEH-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)C[C@@H](C[C@@H]1CCC(C)(C)C1)NC	2302898461	GYVVKIMSGPYWJX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1CC[C@H]1C(C)(C)C	2303465941	RAIWHRFYIUVFAJ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc([C@@H]2CCCC(C)(C)C2)n1	2307685353	YXSZOQTWKWUJAR-IJLUTSLNSA-N	249.423	4.950	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CNC(C)(C)C)C1CC1	2307834321	IYBVRGAWGOZUNV-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCCC12CCC2	2307840880	HBLHPIMOMWWPCH-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)CCC)C1(C)CCC1	2307900887	WHPSJLNTLXWJQD-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CCCC12CCC2	2307907093	BAKHQXCJUQNXAU-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)CC(C)(C)F	2307911329	USDVUDQSSPVAQT-KBPBESRZSA-N	245.426	4.709	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](CC[C@@]23CCC[C@@H]2C3)C1	2310379919	KIJPDOFGBOXNLR-LJIGWXMPSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1CC[C@@]2(C)C[C@@H]12	2310539208	BLUMZHGJUSGKLU-QAETUUGQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@@]23CCCC[C@@H]2C3)C1	2312670180	LVEIWBWIEALHOG-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@]23CCCC[C@@H]2CC3)C1	2313340706	DGTZXRCDCMNFTR-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(C1CCCCC1)C(CC1CC1)CC1CC1	2313612160	KVHQUWHZEYOSIU-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)c1ccc(C)c(CC)c1	2314714378	YOBLTDIRQAGFDT-RHSMWYFYSA-N	247.426	4.644	0	10	BJAE	
CC[C@]1(C)NCCC1=CC1CC(CC(C)(C)C)C1	2315192966	UDGUCJNZHLYUNT-KVULBXGLSA-N	249.442	4.537	0	10	BJAE	
CCc1ccccc1[C@@](C)(O)CCC(CC)CC	2316236763	YHTZGWXLIWLZCG-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@@H](CC)c1ccccc1	2316542600	RKRWRMKPTGTLDQ-DLBZAZTESA-N	245.410	4.515	0	10	BJAE	
CC(=CC[C@@]1(N)C=CCCCC1)CCCC(C)C	2316562399	IZBWNBJUFJAMDU-QGZVFWFLSA-N	249.442	4.977	0	10	BJAE	
N[C@@H](CCC1CCCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316697278	KVLNHGUIAKUETP-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H]2CC(C)(C)[C@@H]2C)cc1	2318183014	OGCLJWAOMQCOSO-IUODEOHRSA-N	244.378	4.504	0	10	BJAE	
C[C@]1(C(=O)CCCC2=CCCCC2)C=CCCC1	2318511527	PBOXBRNJIJKTPP-KRWDZBQOSA-N	246.394	4.973	0	10	BJAE	
CC1(C)C[C@H]1CCCNCCCC1=CCCCC1	2318587154	QPNCLOWYRKAEDB-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC[C@H](CN[C@]23CCCC[C@@H]2CCC3)C1	2319014844	YSAGQTBPDNURBQ-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)CCCC[C@@H]3C[C@@H]32)CCC1	2319453035	CFFOBWVXTILNJL-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC[C@H]1CC[C@@H]1C1CC1	2319726306	ITVYWUATEIXXED-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)cc(NC[C@@H]2CC[C@H]2C(C)(C)C)c1	2320325267	SBYMIYUWRMIZDX-SWLSCSKDSA-N	249.373	4.618	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC(C)=C(C)C1)C1(C)CC(C)C1	2320410490	FFAXAPBIVWOKEQ-HHBUMJEXSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCC=CCCC2)CC1	2320412949	QHQHKCPKYFQATB-IAGOWNOFSA-N	247.426	4.731	0	10	BJAE	
CCC[C@@H](N[C@H]1CCC(C)=C(C)C1)C1CCCC1	2320420483	QFZCSMJPYFHAJR-DLBZAZTESA-N	249.442	4.824	0	10	BJAE	
CC(C)=CCCN(C)Cc1cccc(C(C)C)c1	2320640003	WNFNMAHXKGMMBG-UHFFFAOYSA-N	245.410	4.598	0	10	BJAE	
CC(C)(C)CCC=C1CCC([C@H]2CCNC2)CC1	2327906105	VCKUCYNQRXGGPQ-LYKKTTPLSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1C)c1cccs1	19998930	ICBCEZLCSIZHCL-CYBMUJFWSA-N	245.391	4.928	0	10	BJAE	
CCCN[C@@H](CCC(C)C)c1ccc(C)cc1C	35579529	WVWTUOXKIRQGJR-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](CCC)c1c(C)c(C)cc(C)c1C	35581825	QCDURKNAJBIZGD-MRXNPFEDSA-N	247.426	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccccc1C	37031963	LULNWQGFXXUKLY-UXLLHSPISA-N	245.410	4.614	0	10	BJAE	
CC[C@@H](Nc1ccc(Cl)cc1Cl)C(C)C	37196828	DDEDXOZWOWXIQH-LLVKDONJSA-N	246.181	4.840	0	10	BJAE	
Clc1ccc(NCC2CCCC2)cc1Cl	41289943	OPFROHISQTXAJE-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
Cc1ccsc1[C@H](C)NCCC1=CCCCC1	70089809	QIFJMQSTZJOLJD-ZDUSSCGKSA-N	249.423	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](Sc2ccc(N)cc2C)C1	71150153	FMEBPXHLQDDLDK-JSGCOSHPSA-N	249.423	4.638	0	10	BJAE	
Cc1ccc(N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)cc1	80125242	FPDFNLVQABOPHB-YSVLISHTSA-N	243.394	4.622	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)[C@@H](C)CC	87172842	JLROASPUBLJZBJ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCCC2(C)C)c(C)c1	94307385	ZOABZEDUPYBZQR-ZBFHGGJFSA-N	245.410	4.533	0	10	BJAE	
CCC(CC)[C@@H](NC)c1ccc2ccccc2c1	94676484	NRQFUGMZMIJKQB-QGZVFWFLSA-N	241.378	4.537	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)C1CCCCCC1	103996787	OEKQUMWESQDUNQ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCc1cc2cc([C@H](C)CC)ccc2nc1Cl	104185321	RZTRWSDEOMSUML-SNVBAGLBSA-N	247.769	4.964	0	10	BJAE	
CCCCCCC1(O)CC(C)(C)CC(C)(C)C1	124983118	CZTNHNCVVMZQRP-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC([C@H](C)[C@H](O)c2ccccc2)CC1	129032699	FVKDUHCRXATKKX-GIOUXUJVSA-N	246.394	4.573	0	10	BJAE	
CC1(C)CC[C@@H](NC2CCC3(CCCC3)CC2)C1	129501703	VJUPYDANCGGWHG-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CC[C@@H](c2nc(-c3ccccc3)cs2)C1	131833694	JLBQNIUMTVKVDU-WCQYABFASA-N	243.375	4.714	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C[C@@H](C)CC	161051976	BHFPMGSSKGDPEP-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)CC(=O)CC12CC3CC(CC(C3)C1)C2	165100295	CCVGPZOXIMTQFN-ORVZXPRGSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CNC(C)(C)C)C1CCCCCC1	167927845	PNRGBHMQVFFQJO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)C(C)(C)CC	203415174	AGANLQPRJQVCNC-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](CC[C@@H]1CC[C@@H](C)[C@@H](C)C1)NCC	221313286	DBOYIVZFGMZNQP-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@@H](C)CC1CCC1)C1CCCCC1	229694819	OLDMANLMJZSYEK-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)c1c[nH]c2c(Cl)cccc12	233341592	PMNRALUPXCOKPM-VIFPVBQESA-N	221.731	4.725	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@H](C)C[C@H]2C)c(C)c1	251024127	SGCAJSPDOVGMAX-NORZTCDRSA-N	245.410	4.848	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1CCC[C@@H](C)C1	251388831	SXFSOMOWMLSHHM-UGUYLWEFSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)C2(C)CCCCC2)C1	300245256	PSXQACTVCXEQCQ-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H]1CNc2c(C)cccc21	300260595	MYJNSHWRDAWGSA-ZFWWWQNUSA-N	231.383	4.721	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCCC(C)(C)C)C1	300882857	OSOHZGRKYNHLQH-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CC)CCC[C@@H](C)CC(C)C	300894471	KFRPDOSEHMZKMN-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CCCC1(CN)CCCCCCC1	302349512	WHFAWOPJQNHRQT-UHFFFAOYSA-N	239.447	4.892	0	10	BJAE	
CC(C)CC[C@@](C)(O)c1cccc(C2CCC2)c1	302536548	SGEAKGADXHHNBK-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H]([C@@H]2/C=C/CCCCC2)C1	304171523	HJJWHSNFKIJAOY-HXFZWMNWSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H](C)CC(C)C	304418902	JNBYDSYLIYQTGG-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)[C@@H]1CCC[C@H](CC)C1	310061318	RPLTZVCWSSMUOQ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C(C)(C)C(C)(C)C)C1	310582923	SABBCXRRJXRPOT-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C(C(C)C)C(C)C	311083699	ODFVGUIFHRXDBM-KRWDZBQOSA-N	248.410	4.772	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCC(C)(C)C)c(C)c1	313261898	KFNVAGDGZHGLIQ-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CCC[C@H](NC(C)(C)CC(C)(C)C)C1CCC1	322242195	AMNFTUPAJQPZCT-AWEZNQCLSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@](O)(C[C@H](C)c1ccccc1)C1CCC1	322271567	KQDGSDGEZDIQFX-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
CCN[C@@H](C)c1ccccc1C1=CCCCCC1	380825469	ZHPMUNDUAWESDY-AWEZNQCLSA-N	243.394	4.705	0	10	BJAE	
CCCCCC[C@@H](CC1(C)CCC1)NCCC	383679019	OGDULAREFPPSLU-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
C[C@@H](C[C@](C)(O)c1ccccc1)C1CCCCC1	386790919	LKIWETPFWBCEPA-YOEHRIQHSA-N	246.394	4.501	0	10	BJAE	
CCCC1(CN[C@@H]2CCC[C@H](C)CC2)CCC1	391826314	XFFGFNVEZWAGSF-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NC/C=C/C2CC2)CC1	393593692	UOLYVJNSZIKYMM-DOOVEFGSSA-N	249.442	4.537	0	10	BJAE	
OC(C1=CCCCCCC1)(C1CCC1)C1CCC1	393982610	FPDLCXXYJJFQJJ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2C[C@@H](C)[C@H]2C)cc1	394041051	FFBJOPROQOQPDS-CKEIUWERSA-N	245.410	4.876	0	10	BJAE	
CC[C@@H](C)SCC(=O)CCCCCC(C)C	394755985	AXLLAEBFQULWBY-CYBMUJFWSA-N	244.444	4.694	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H]1CC[C@@H](CC)C1	395054834	XIWUXIIGOBVUNP-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
CCc1c(S)ccc2sc(C(F)F)cc12	396244676	ODRMLZWASTYIFT-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CC(C)=CCCN[C@@H]1CCCC[C@@H]1C(C)(C)C	397743360	LXLXTJHYOGEROC-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc2ccccc2c1C(=O)CCC1CC1	400781991	PYSDDISHXDOZIT-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1ccc(F)c(C)c1	401782526	BVWZAOWUFNYIRJ-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
C[C@@H](CC(=O)CC(C)(C)C1CC1)c1ccccc1	405775699	AUWNZJMZCUGUHQ-ZDUSSCGKSA-N	244.378	4.576	0	10	BJAE	
O[C@H](CCCC1CC1)c1csc2ccccc12	406027903	KVAQUGDNXKUVCH-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC[C@@]1(c2cccc(C(C)C)c2)CCCCCN1	688941159	WTKUFCYROWCSBV-KRWDZBQOSA-N	245.410	4.579	0	10	BJAE	
Cc1cccc(-c2ccc(C3CCC3)cc2)c1N	690422559	SLLKJZKQLKTFAU-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](NC)C2CC(C)C2)cc1	691964938	YHDGLZFIIMWUDJ-NHOQAQIYSA-N	245.410	4.507	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C1CCC2(CC1)CC2	695669356	BOIKNWFZKCZPMM-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCCC[C@@H]2C2CC2)c1	696108076	YCYAPFOCTKLZSJ-HIFRSBDPSA-N	247.357	4.515	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@@]1(C)CC1(C)C	702151558	XIFMSCOGGMSGQN-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@]1(C)CC1(C)C	702160096	PLCZWIMZUCIVFQ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccc(C)cc1Cl	704532434	WPCKDQWWWQYIPH-BXUZGUMPSA-N	240.774	4.508	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@@H]2CCCC[C@H]2C)CC1	704834357	XHHRSBWSWVMLOZ-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(Cl)c(O[C@H]2CCCC[C@@H]2C)c1	704912974	KAIIXMRTJZNMHN-AAEUAGOBSA-N	238.758	4.606	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)C[C@H](C)CC(C)(C)C	709071135	MKGVKDQLBUCVFG-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)[C@]23CCCC[C@H]2C3)C1	709151705	NHXRAPPDKIDJNI-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@H]1CCCC2(CC2)C1	709981551	YWBYSVUNGVICRH-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H](C)C(C)(C)CC	710023330	GUQRBAISWVBNSH-BFHYXJOUSA-N	227.436	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2csc(C)c2)CC1	710758096	JIDTWWXFJCYOHE-OLZOCXBDSA-N	237.412	4.827	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@@H](C)C(C)(C)C	711223770	HSZGWFTXLOVBCS-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
C1CCCC(CCN[C@H]2C[C@@H]3CCCC[C@@H]32)CC1	712527644	RWEVQFSVRMQXNU-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
C=C/C=C\CCC(=O)C[C@@H](C)CC(C)(C)C	713655508	IXTMBILUDDMBCD-MEJMFZKBSA-N	222.372	4.540	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1	714304874	QDOUXVCYERXSKB-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1NC1CCC=CCC1	718051401	HELFAABJRORHAL-CVEARBPZSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)(C)C)C1(C)CCC1	720706794	GJVKBFSFFYWWFU-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)C2(C)CCC2)cc1	720712157	ZZVHXUBBELTLTP-BBRMVZONSA-N	245.410	4.651	0	10	BJAE	
CCC(CC)CN[C@H](CC)CC1CCCCC1	720941858	YCRODMMMKBYZPZ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
N[C@]1(CCC2CCCC2)CC[C@@H]2CCCC[C@@H]2C1	723613895	RZUOITDSQWIVCS-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1CCN([C@@H]2C=CCCCCC2)CC1	1193438569	YXYIJLRESRXZAG-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CCCC(C)(C)C1	1199053279	VXGXZKVMMHOZMQ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1ccccc1Cl	1201331295	MYXFQNVXXDTHRF-OLZOCXBDSA-N	249.785	4.744	0	10	BJAE	
Cc1cc(F)ccc1[C@H](C)NC1CCCCCC1	1462561635	BSVYZCQJJRQISQ-ZDUSSCGKSA-N	249.373	4.508	0	10	BJAE	
CCSCCCCSc1ccccc1C	1775954618	VTRXRFHMVPRXDV-UHFFFAOYSA-N	240.437	4.620	0	10	BJAE	
CC1(C)CC[C@H]1N[C@H]1CCCCC12CCCCC2	1875421256	ZCHGMEAGZNXZMA-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCc1nc2ccsc2c(Cl)c1Cl	1887055332	JYDOTVSBEUCHHL-UHFFFAOYSA-N	246.162	4.556	0	10	BJAE	
Cc1cc(-c2ccc(Cl)cc2C)cs1	1889510821	XBHZGZFNYKZOKF-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CCCC(CCC)C(=O)CCC[C@@H]1C[C@@H]1C	1896104443	FOZWHYLECPKSJB-GXTWGEPZSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCC[C@H](C)CC1	1900694800	CCZZOTMEXOAVCY-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCC[C@H](C)CC1	1900694803	CCZZOTMEXOAVCY-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCc1cscc1N[C@H]1CCCCC[C@@H]1C	1902381440	NOVFFIZGMMOUCL-AAEUAGOBSA-N	237.412	4.691	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@@H](C)C[C@H]1C	1902390137	IMFKKJDTJPZXGX-NQBHXWOUSA-N	237.412	4.547	0	10	BJAE	
CCC[C@@H](CC)COc1cc(F)cc(Cl)c1	1905306882	XEZKOKKTWOPHSH-SNVBAGLBSA-N	244.737	4.684	0	10	BJAE	
C/C=C/CCC[C@H](CC[C@@H]1C[C@H]1C)NCCC	1910147244	KHTJNQMDKSWMRN-PSVUTLLTSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C[C@@H]1CCCC(C)(C)[C@H]1O)CC(C)(C)C	1910193131	AJTNHXPHXKDSMY-IHRRRGAJSA-N	240.431	4.636	0	10	BJAE	
CCCNCC(=C[C@H]1CC1(C)C)C1CCCCC1	1912080802	QCPVNPBMOUPEAR-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CCCC=CCNc1ccc(C(C)C)cc1	1914678319	SOIKDHRURZVUDH-UHFFFAOYSA-N	217.356	4.578	0	10	BJAE	
CC[C@H](N[C@@H]1CCC2(CCCCC2)C1)[C@@H]1C[C@@H]1C	1915867757	HGHLVUWDXDCRHL-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@H]1CCC2(CCCC2)C1	1916443588	YXXILEOMKZGCLF-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
C1=C[C@H](N[C@@H]2CCC3(CCCC3)C2)CCCCC1	1916462739	BKROGNDSIIWUHO-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CCCC1CC(N)(CC2CCC(C)(C)CC2)C1	1921261741	MFAIFQJODGHRDH-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCC1CC(C(=O)CCC[C@@H]2CC2(C)C)C1	1921280237	OPWJHNCBJJWZDV-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
C1CCCC(CNC[C@@H]2CCCC23CCC3)CC1	1921607688	XLTOARQGEMBVRD-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](C)C2CCCCC2)c(C)c1	1924101224	QLUCOHRKQXJTGN-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
C[C@@H]1CCC[C@@H](C=C2CCC(C)(C)C[C@@H]2CN)C1	1927147498	MKEHAIKILIBWGE-IIAWOOMASA-N	249.442	4.524	0	10	BJAE	
C[C@@H]1CC(=C2CCC(C)(C)C[C@@H]2CN)C[C@H](C)C1	1927148048	UVGZTXVNGWMOFK-VNHYZAJKSA-N	249.442	4.524	0	10	BJAE	
CCC(C)(CC)CN[C@@H](C)c1csc(C)c1	1936262927	AGGPWGOFZVINDZ-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCc1cscc1C(=O)[C@@H](CC)CC(C)C	1938822025	LPFHRPPJZFACPD-NSHDSACASA-N	238.396	4.566	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)CC(C)(C)C(C)C	1940249976	YJTLAKFHVAATLO-INIZCTEOSA-N	242.447	4.738	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CCC=C(C)C)NCC	1941272534	LSDIYBZKYUUPID-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CCCCCC1(C)C	1941358488	LEUTYHITMPVVJS-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@](C)(CCCCCC1CC1)CNC(C)C	1941598745	DZGBQZVTOAJPGR-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)C1(C)CC(C)(C)C1	1941990097	USPVDQVIZGSOGI-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC[C@@H]1C)C1CCCC1	1944844335	YZVSDBFULNFAIM-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NC1CCC(CC)CC1	1947453449	PIXYTZVNHKKVPW-BHDPWAOGSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC(C2(O)CCCCCCC2)C[C@@H](C)C1	1947545285	DMMDARSUCLBSID-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC(F)(F)CCC(=O)C[C@@H](C)CC(C)(C)C	1948001237	PBDVBZDXOPLNRU-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
CCC1(C[C@]2(N)CCC(C)(C)C[C@H]2C)CCC1	1948981347	QBPOENPBHALMPE-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CCC(C)=C(C)C	1949043926	RVPORRNDARJHDV-OAGGEKHMSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](C)C(=O)[C@@H]1CCC2(CCCC2)C1	1949498591	OOBJETIRGIOJCV-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C[C@H]1CCC2(CCCC2)C1)NC	1949550312	CHZNAYPWDACXNS-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(CC[C@H](N)CC2CCCC2)CCCCC1	1949869875	LIVZASFUZGRLFT-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(Cl)cc([C@@H](N)CC2=CCCCC2)c1	1950553433	CCLCRQZTJGWPQZ-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)[C@@H]1CC12CCCCC2	1950642040	NEISFSRNPVIJPM-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC(=O)C1CC2(C1)CC(C)(C)C2	1950935635	LCGIRDXEHIWKIQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1([C@@H](CCCCCC(C)C)NC)CCC1	1951237960	AFHUYZCCHXXARU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)CN(Cc1ccccc1)[C@H](C)C(C)C	1953230262	AQARFXCRXUWCKZ-JKSUJKDBSA-N	247.426	4.579	0	10	BJAE	
CC(C)CC(C)(C)NCC[C@H](C)c1ccccc1	1962900127	FJMFRKLUJDPYAE-HNNXBMFYSA-N	247.426	4.595	0	10	BJAE	
Cc1cccc(N(C)CC2C[C@H](C)C[C@@H](C)C2)c1	1964110343	TYVBYSZQRHUUHL-HUUCEWRRSA-N	245.410	4.504	0	10	BJAE	
C[C@H](CCC1CC1)NC[C@@H]1CCCCC12CCC2	1967865211	PFVYPAACHNGUMD-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NCC2C[C@@H](C)C[C@H](C)C2)c(C)c1	1968254571	JLKDVUHZXJBJEG-KBPBESRZSA-N	245.410	4.788	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCC[C@@H](C)[C@H]1C	1968347003	UYJHZAFZZXLJDW-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C)c1NCC1CCC2(CC1)CC2	1968350663	AUXWCPKJSBIYIM-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CCC1CCC(CN(CC)[C@@H](C)C(C)C)CC1	1969069938	WODYWEFCSYRVEO-FHERZECASA-N	239.447	4.569	0	10	BJAE	
CCCC1(CNC2CC(CC)(CC)C2)CCC1	1971565517	CLZKKEVBOAZACZ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@]1(C)C[C@H]1NC(C1CCCC1)C1CCCC1	1973341385	GSBQVIKBQDJHRH-NVXWUHKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@@H](N)c1cc(C(F)F)cs1	1977101351	MVAFKOCKWVMFHS-SNVBAGLBSA-N	247.354	4.512	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1C=CCCC1	1977151535	BUHZWPCFDPJULQ-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H]1CCCCCCC1=O	1980342221	QMLZSOKAIZONFH-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@H]1CCCCCCC[C@H]1N	1980353022	WYODZUSBLGODIQ-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(C(=O)C[C@@H](C)C(C)C)ccc1Cl	1988299985	NXKDQEYZEVGXJK-SNVBAGLBSA-N	238.758	4.513	0	10	BJAE	
CCCCCC[C@H](O)CC1(C(C)C)CCC1	1989443456	WERFNEVWYQZVID-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(C)c(Cl)c1	1989817780	AFLVNNXBOXWBER-LLVKDONJSA-N	239.790	4.885	0	10	BJAE	
CC[C@H](C)Cc1coc2c(Cl)ccc(C)c12	1995462988	DSCZNWLEEOXNKN-VIFPVBQESA-N	236.742	4.983	0	10	BJAE	
C[C@H](CC(=O)CC[C@@H](C)C(F)F)CC(C)(C)C	1996106312	MMKUIWQBGBOJCU-GHMZBOCLSA-N	248.357	4.699	0	10	BJAE	
CC1CCC([C@](C)(N)CCCC(C)(C)C)CC1	1996594962	RCTJOXDGTWYKEN-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@]1(C)CC=CCC1	1997551859	NOXZZHAKSAZFOD-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002222715	PQBONEPMBOAKMQ-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2003016581	HDMYHTCTYQESHD-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
O[C@@H]1CCCCCC[C@@H]1CCC1=CCCCC1	2003100223	QAOCGCVYRHBXEI-HZPDHXFCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CN)CCCCC12CCC2	2005600840	JWTXQLNFEQBCII-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC=C(C)[C@@H](NCC)[C@H]1CCCC(C)(C)CC1	2007857350	MNWSQRLQMGWCRM-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@]1(C[C@H]2CCCC[C@H]2CC)CCCN1	2009059149	NBCPSAAAMSVMAE-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC1(C)CC1)NCCC	2009548527	QFANZGXCFIMNAH-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCCC(=O)[C@]1(C)CCCCC1(F)F	2009571667	JVJKZGWGARPOPC-OOPCZODUSA-N	244.325	4.518	0	10	BJAE	
CCCC[C@H]1NCC[C@@]12CCCCCC2(C)C	2009768750	JWOZNVZRVLMMPF-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](N)C1=CC[C@H](C(C)C)CC1	2010760378	AXGGRHDEZCLOMQ-HOCLYGCPSA-N	237.431	4.523	0	10	BJAE	
CCCCCC[C@H](N)CC1C[C@H]2CCC[C@@H]2C1	2011983365	PWXBNNIZFNRQSC-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)C[C@H]1c2ccccc2NC[C@H]1C	2015396645	FRFXIPYYUUJSDF-UMVBOHGHSA-N	231.383	4.514	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1cccc2sccc12	2016832625	YUGIDFWIPXMLDI-WDEREUQCSA-N	244.359	4.520	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CC2(C(C)(C)C)CCC2)C1	2017114063	HYQCAIITINNWHO-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C[C@@H](O)C(C)(C)C(C)(C)C)CCC1	2017121872	UMWRYIKZTYMFAA-CYBMUJFWSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H]1CCCC(C)(C)C1	2017478825	WBPDUGNTUJOOQH-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C[C@@H](N)C2CCCCC2)CC1	2017731708	UWHXOMCDLRAGPL-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CCCC1(F)F	2018132599	ZVPQJHAHLUCPHU-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC(C)(C)NCCCC[C@@H]1CCCC2(CC2)C1	2018427469	CMABNSHGQWJDME-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@H](N)C2(CC(C)C)CCCC2)CC1	2018991510	VSPRPGMIBXUIRH-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccccc1C1CC1	2021026011	IIQOFUAZNMYYAN-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(N)CCC[C@H](CC)CC1	2022563403	QNLSNQZUIMKCCE-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C1=CCCCCCC1	2023340287	SVQLQYQBCKJGQY-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CCCNCCC=CC[C@@H]1CCCC(C)(C)C1	2024094941	NTZNEXMKTLZLRV-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCc1cccc2cc(C3CC(C)(C)C3)[nH]c12	2024289777	MEBOIVCAPCMJRC-UHFFFAOYSA-N	227.351	4.634	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@H]1CCCC12CC2	2027855017	LAAPECUTWWCOQF-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C(=O)c1ccc(C2CC2)cc1)C(C)C	2028604385	FWMBCFXKQUDBOJ-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
CC(C)C(=O)CCc1ccc(C2CCCC2)cc1	2031745902	JRUBHBROCOXQGA-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCC1(CNc2cccc(C3(C)CC3)c2)CCC1	2032243064	QFDHBXFMUPAOCY-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
Cc1cccc([C@H](N)C(C)(C)C2CCCCC2)c1	2032339138	MVQATPMWWUSODH-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CC[C@@H]2CCCC[C@@H]21	2034255844	FWQSFQODZPFQFR-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccc2c(c1)CCCC2	2035258604	NUQSCCJZAZWKOA-CYBMUJFWSA-N	244.378	4.574	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)[C@H]1CCC(C)(C)C1	2035587282	BMYKTEACPNVTHC-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@H](C[C@H]2C=CCCC2)C1	2035592123	OEMYJOJLJBHPIY-JJXSEGSLSA-N	249.442	4.523	0	10	BJAE	
CC(C)C1CCC([C@@H](N)C[C@H]2C=CCCC2)CC1	2035596880	APGUMQMPALOITH-OTBWCIGPSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCC[C@@H]1C[C@H]1C=CCCC1	2035602501	WGXJSUTUBJJISU-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CC2(CC2)C1)C1(C)CCCCC1	2036175957	RCIITXFNDZVYRW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@H](Nc1cccc(F)c1)C2	2036669322	WTFGLWCMLZFDKU-APHBMKBZSA-N	247.357	4.597	0	10	BJAE	
N[C@@H](CCCC1CCC1)c1ccccc1C1CC1	2037140874	CLSCLFLMFRZQSH-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)C[C@H]1CC=CCC1	2037160736	NJENDGJSZRJREJ-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
C(CCC1CC1)CC[C@H]1CNC2(CCCCC2)C1	2037722838	ASPKDTYGOMTJRL-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)(C)C1)c1ccccc1	2038132535	DJYHKIGZDKRNRG-GOEBONIOSA-N	245.410	4.554	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@@H]1CCC2(CC2)C1	2038571044	HHWOWESLPUQOIF-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CNC[C@@]1([C@H]2C=CCCC2)CCCC(C)(C)CC1	2039384462	IETOCLWUKRWNCF-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H](C)C12CCC(CC1)C2	2039865107	MKDIXXZXALINKW-FUJMWEONSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H](N[C@H](C)C12CCC(CC1)C2)C1CCCC1	2039865386	OQRMHNNJOYXUPK-FDVNEVKMSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)CC2CC3(CC3)C2)CC1	2040684357	SACYKRVPNLAERL-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cccc(C2CCC2)c1	2040723752	NVXAABMFUKQYHN-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1N[C@@H](C)c1ccccc1	2043073536	KNQGTSUGQFAAMI-YQQAZPJKSA-N	245.410	4.696	0	10	BJAE	
CCC[C@H](N[C@H](C)CC1=CCCCC1)C1CCC1	2043187985	PVFWVAWVRXDBNN-PBHICJAKSA-N	249.442	4.824	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H](C)c1ccccc1	2043192242	UFHCRLYAHZRFPU-LSDHHAIUSA-N	243.394	4.616	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N(C[C@@H]2CCC=CCCC2)C1	2045314103	GWKOYVPTHGUWPW-GVDBMIGSSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC[C@H]2C2CCCC2)C1	2045530435	ZQBHZLVGRBWCTN-HOTGVXAUSA-N	249.442	4.610	0	10	BJAE	
CC(C)NC[C@H]1CC12CCC1(CCCCC1)CC2	2045661597	WLVFQMZICUCVAA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H](NC1CC2(CCCCCC2)C1)C1CC1	2046234219	ZNEGKFBDSYZZLM-MRXNPFEDSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(CN)(C[C@@H]2CC23CCCC3)CC1	2047012103	ZQUXQBFVHGTSON-CQSZACIVSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC12CCCC2)C1(CC)CCC1	2047017612	XBAIUIUUPIBZCO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC1(CN[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CCC1	2047433758	DPQFQAGYAGXLRZ-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NC[C@]2(C)CC=CCC2)cc1	2047727464	XSGMXORZZOUABH-QGZVFWFLSA-N	243.394	4.968	0	10	BJAE	
CC(C)NC[C@@]1(CC2CCCC2)CCC12CCC2	2047945220	AWRIBYQZYDLVSA-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@H](N)CC2[C@H]3CCCCC[C@H]23)CCCC1	2048441811	QTBXIANTRVCJLV-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1[C@H]2CCCCC[C@H]12)C1CCCCC1	2048443435	OARIKSMAESCTLM-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048443908	VKSNPRSFRBEEBJ-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CCC([C@](C)(N)C[C@H]2C=CCC2)CC1	2049415651	RKYDLKZLOCCKTN-ZGRYLRDCSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@H]2C=CCCCC2)C1	2049538269	XVPPELBXSPRODR-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2CC23CCCCC3)CCCC1	2049792181	GHVGGDFKGMVCBV-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@@]1(C)C=CCCC1	2049997274	MIPNORPLNZCJLS-SJORKVTESA-N	244.378	4.590	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@@H]2CC[C@H]21	2052287266	WMRJAAJNIZJQSO-BZUAXINKSA-N	243.394	4.548	0	10	BJAE	
C=CC=CCCCc1ccc(Cl)c(C)c1	2052984770	IOKQONYEHYXFEG-UHFFFAOYSA-N	220.743	4.713	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@]1(CN)CCCCC12CCC2	2053409438	FAWPDNKWFVZTEP-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](C1CC=CC1)C1(C)CCCCCCC1	2053667908	RUQRBTITGMBBFO-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)C(=O)Cc1ccccc1C(C)(C)C	2053959116	JRGNVFRKNIKIAJ-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CC1=C[C@@H](N[C@@H](C)c2ccc(C(C)C)cc2)CC1	2055841111	KBNYYIAJRBHIIR-YOEHRIQHSA-N	243.394	4.569	0	10	BJAE	
C[C@@]1(C(=O)CC2CC(C3CCC3)C2)CC=CCC1	2056668604	XEYMIHYRVGWAEW-PUJMQQBBSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2C=CCCCC2)CC1	2059002325	DKUAFVVERNQDKU-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
CC=CCCCC(=O)c1ccccc1C(C)(C)C	2059195281	GHNIDRNWAPMVOA-UHFFFAOYSA-N	244.378	4.913	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)[C@@H]2CCCC2(C)C)CC1	2061090015	XPNUTDTXOMAARC-VNQPRFMTSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](C1=CCC(C)(C)CC1)C1(CC)CC1	2061095976	QSYGSORAJKJDJN-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1CC1(C)C)C1=CC[C@H](CC)CC1	2061148882	YLAVSTKRONBRIW-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@@H]1CCCCCC12CC2)C1CCCCC1	2062017428	OOHBXLFZXWBXHF-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CN[C@@H]1C[C@H](C[C@@H]2C=CCCCC2)CC(C)(C)C1	2063642164	PFKYHWZELYKFHQ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@H](CC23CCC(CC2)CC3)C1	2065338920	WBCCPHDMCATNDO-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@H](C)c1ccccc1	2065990083	KEUKEORYDNVOOW-DOTOQJQBSA-N	247.426	4.595	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)C1(C)CCCC1	2067519085	CMEMXPJUNBHYMG-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CCC1(C)C	2068235638	GUOGFIAUTMKSGC-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC23CCC3)CCCCCCC1	2069168774	SSAADVOIIQFCMX-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCC[C@H](CNC2(CC3CC3)CCC2)C1	2069492203	NAUXPGFYKDTRLZ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@]1(C)CCNC[C@H]1C1CCCC1	2070402008	BFLFAEMIXHBWOK-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)Oc1cccc(NCC(C)=C(C)C)c1	2072365585	GJXQTOCSGFOMQE-CQSZACIVSA-N	247.382	4.632	0	10	BJAE	
CCN[C@@H](CC1CCC(CC)CC1)c1ccoc1	2072810330	VOQSQNVNESIJGL-XUJLQICISA-N	249.398	4.537	0	10	BJAE	
CCC1CCC(CC(=O)C[C@@]23CCC[C@@H]2C3)CC1	2072874641	DRSVDJGJQYNAIQ-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
CC1(CCC=C2CCNC3(CCCCC3)C2)CC1	2074141208	IMWVICCALLGLAL-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@H]2CCCC23CCC3)CC1	2074633840	IXDYYMUTYPTHHK-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CN(C)[C@@H]2C=CCCCCC2)C1	2074811207	UFCIBMKAKOBSLD-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
O=C(CCC(C1CC1)C1CC1)CC1CCCCC1	2075816345	CVTWPFAWIJTQTH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(F)c1C(=O)C[C@H]1CC[C@H](C)CC1	2075977804	ZNOITIDGNKRPSR-AULYBMBSSA-N	248.341	4.533	0	10	BJAE	
C[C@]1(F)C[C@H](CNc2ccc(C3CCC3)cc2)C1	2077725547	XZAXAZNVKBVEHO-YGUOUDRMSA-N	247.357	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2C[C@H]2C2CCCC2)C1	2079493777	ZSVWUOQJGSZDPD-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC1(CNC2CC2)CCCCC1	2079665837	NTKOUNUZJNUQDI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H]1CC12CCCCC2)[C@H]1CC[C@H](N)CC1	2082133973	QCSZMCMCSRYQCU-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)CC(=O)C1C[C@H]2CCC[C@H](C1)C2	2213281024	FNFKMQXZFOTTLM-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCN(C)CCCCCCC1CC1	2213531473	LKIKLUSLCJRZIZ-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C1(C)CCCCCC1	2215337396	ZLPRNLMKDRKYJK-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
Cc1cccc(C)c1NCC1(C)CC(C)(C)C1	2215385247	IFXKSITVPGKPEY-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCC[C@H](C(C)(C)C)C1	2216255048	BOUFWTSRADBVPA-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](C)NC[C@H](C)C[C@@H](C)C1CCCCC1	2217144369	FHRWMAISJCNWMD-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)c1cccc2ccoc12	2217512246	PLRUYKHOAPPLTH-UHFFFAOYSA-N	230.307	4.586	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N1CCCC12CCC(C)(C)CC2	2218015222	PZLPRMMDDRMEJO-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
C(CCCC1CC1)CCNCC[C@]12CCC[C@@H]1C2	2218729860	DYIFUBRCAKEONF-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CN(CCCCCCC1CC1)C[C@]1(C)C=CCC1	2218735097	LOKOWGQPIOODRK-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CN[C@@H](CCCCC1CC1)[C@@H]1CCCCC12CC2	2220046300	SFUJDFQKVGBZPM-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@@H]1CC[C@@H]1C	2220520925	LSLNDPYEPSXYLC-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C1(CNC2CCC2)CC2(CCC2)C1	2223538915	GSTPZWKLINZEFC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CNC1CCC1)C1CCCC1	2223584433	RVDZDXZCIKYIJB-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CC2CCCC2)C=CCCC1	2223596665	QGSFBYJRKNBWQJ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC[C@]2(C)C2CCC2)C1	2223850758	OCGWIXYJNMEBNN-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CC1CC(C)(C)C1)N2	2224126838	BVVBRQXRWJKOSF-OAHLLOKOSA-N	243.394	4.548	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1ccc2occc2c1	2224191414	SJXZMOAETRZJEB-WBMJQRKESA-N	246.350	4.539	0	10	BJAE	
C/C=C/CCCC(=O)C[C@@H]1CCCCC12CC2	2246610092	MMSCVRBOEHSBIX-HSWBROFVSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](CC)C(=O)C1CC2(CC(C)C2)C1	2247075021	XADUIPIWBSHGSB-VGMSBNRJSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC1=CCCCC1	2247453170	AJRWBTSEFCJWHQ-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC(C)C[C@@H](C)CNC(C(C)(C)C)C(C)(C)C	2247755033	IGLZVHXYGDTRIB-CYBMUJFWSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(C)CCC[C@]1(C)O	2248804811	AYMRSGADGPCRMA-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC[C@@H]1CCCC12CC2	2250361276	LDHFTFVRHWUVLJ-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1CCCCCC1(C)C	2250381397	NVXNXNVLJWGJFE-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@H]1NCC[C@H](C)CCCC(C)C	2250514599	QSPZDQWETWTZIS-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@@]12CCC[C@@H]1CC2	2251195450	LTBJYBRRURYJAY-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](N)C1CC(CC(C)(C)C)C1	2251540149	YMVDHXOJNURTOV-NELHYYLHSA-N	237.431	4.523	0	10	BJAE	
Cc1cc(N[C@H]2CCCC3(CC3)C2)cc(C)c1C	2258233273	LOGJNADHHWJEHP-HNNXBMFYSA-N	243.394	4.747	0	10	BJAE	
CC(C)C[C@H](C)NCc1cccc(C(C)(C)C)c1	2261364434	WPXRYOCBOOUDDK-AWEZNQCLSA-N	247.426	4.508	0	10	BJAE	
CC1CC(CC[C@@H](N)C2=CC[C@H](C(C)C)CC2)C1	2261496402	YPOUULOBDCJTTO-UMPYDWHISA-N	249.442	4.523	0	10	BJAE	
CC1CC(CCC(=O)c2cccc(C3CC3)c2)C1	2261504881	BKJCYDAMOKCDCU-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CCCCCC[C@@H](CC[C@@H]1C[C@@H]1C)NCCC	2298126218	QOSIVOJYNKHPML-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)CC[C@@H]1C[C@H]1C	2298497377	SIUJPAVEQXJVAG-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](C[C@@H]1CCC[C@H]1C)NCC	2298646063	JFQUKHYYYJFSQM-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CCC(CC)CC	2300678948	OPLHCBZWLWEQSN-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H]1[C@@H](C)CCC[C@H]1CCC(CC)CC	2300682200	WSGTUYHTDZKFKH-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2300687112	YOOPESWOICSJCN-XNISGKROSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CCN1CC[C@@H](CC(C)(C)C)C1	2300703676	JAEKEAGUENRXAJ-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCC(C)=CC[C@]1(O)CCC[C@H](C(C)C)CC1	2300880607	LYFJFSNXGFEIPO-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1CC(C)(C)C1	2300882966	ZGQHBOIMIYFMHR-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C(=O)CC1CCCCCC1)C1CCC1	2301238153	DGOXOWIAHHDGLF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C=C(C)C)CCC1=CCCCC1	2301907466	JMYQICPOAKRGTG-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)CC1CCC(C)(C)CC1	2301942794	SOLDBUBLPYQKJO-XJKSGUPXSA-N	239.447	4.602	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)CCCC1=CCCCC1	2302359819	VJQRKBXYMBSOSJ-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)CC1(C)CCCCC1	2302616248	VEFQGMGIMLNMFV-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(C[C@@H]1CCC(C)(C)C1)C1CCCC1	2302896669	SUPIGUSPZWUMHN-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC[C@H]1CC[C@@H]1C(C)(C)C)NCC	2303469080	FBHPESQAUVUCRV-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303513563	QLTDARPZMFFTJI-BYNSBNAKSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@H](C[C@@H]1CCC(C)=C(C)C1)NC	2303595105	OUBQPFGZSQVHEO-APHBMKBZSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@H](N)C2CCCC2)C1	2304440738	VTCTXJNUIZSMQH-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@](C)(N)CCC2CC2)C1	2304447598	PMPQOJHMTQNFHL-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)CCC(C)C)c1	2307502291	YCQHMGFJDUBFCR-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)C1(CC)CC1	2307896102	YGONHQZYAKQGNY-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CNC[C@H]1C[C@@H]2CCCCCC[C@@H]21	2311007096	FESIDNAOGNNWHK-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2312460866	SAYKRGHNZZVAPW-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
COc1cccc(C)c1N[C@@H](C)CCCC(C)C	2313572562	PKXRUHDHMLHZMK-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CC[C@H]1CC1(C)C	2317561065	GOIXQAWPSQKHHB-ZDUSSCGKSA-N	245.341	4.525	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)[C@@H](C)[C@@H](C)C(C)C)c1	2317827371	LCJMDHPSHXNGSJ-JLJPHGGASA-N	248.410	4.573	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@H](C)[C@@H](C)C(C)C)cc1C	2317830627	IUJXFWYKEDXEQA-UXLLHSPISA-N	247.426	4.540	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@H]1CCC[C@H]1C	2317914549	DIXOYJWMCLKBTQ-OLZOCXBDSA-N	249.373	4.797	0	10	BJAE	
CN[C@H](C[C@H](C)[C@@H](C)C(C)C)c1cccc(C)c1	2317994115	GATVWDJOYHRTBL-YQQAZPJKSA-N	247.426	4.574	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](CCCC1=CCCCC1)NC	2318537361	FBQUTYJQBADTBA-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1cc(F)ccc1C1CC1	2319173783	MWZHRSMJGLNKRT-BDJLRTHQSA-N	249.373	4.529	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCC[C@H]3C[C@@H]32)cc1	2319346910	BBWVUGAEDHXUMM-BHYGNILZSA-N	243.394	4.801	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@@H]2C[C@H]12)C1CCCCC1	2319442215	ZWLCEKIYIRJSMV-QZWWFDLISA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC[C@@H]1CC[C@H]1C1CC1	2319733949	MVTWKSAZHSLHLF-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CCC[C@H](C)CC2)CC1	2320267344	DQMDGYOMXRBJSF-IAOVAPTHSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C2CCC2)C2CCC2)CC1	2320336226	FOYXKSGBBKQYBQ-HNNXBMFYSA-N	247.426	4.530	0	10	BJAE	
CCN(C[C@H]1CCC(C)=C(C)C1)c1ccccc1	2320338426	VLRULTHFKGRXPO-INIZCTEOSA-N	243.394	4.649	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)c1cccc(C(C)C)c1	2320527274	JNIUAZFOLPINEA-OIISXLGYSA-N	245.410	4.636	0	10	BJAE	
CCN[C@H](CC)c1cccc(C2CC(C)(C)C2)c1	2321030270	PBVLZQIDVZLOJQ-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC1=C(C)C[C@](N)(CC[C@H]2CCC(C)(C)C2)CC1	2321638960	GLNLYDWYERWOKJ-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C[C@]12C[C@H](CCN1)C2	2326630993	RCYYUOJGRSZGQU-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)CCCC(C)C)cc1	20004019	KORLJVQRWNLNOJ-HOTGVXAUSA-N	247.426	4.860	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cccc(Cl)c1	20564216	GDFWWWWZHXRRHS-AAEUAGOBSA-N	239.790	4.967	0	10	BJAE	
CCCc1ccc(NC2CCC(C)CC2)cc1	21501255	UTLSRHPBKQKHEN-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccccc2C)c(C)c1	21520148	WLZBYLHQZLCIBB-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
O=C(c1ccc(C2CCCCC2)cc1)C1CCC1	36164657	GRLLRUWILOXJMT-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
C[C@@H](N[C@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCCC1	70305894	ZOXJDKDFAQXUTQ-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)CCC(=O)C(C)(C)C	71083850	MIRBEFDXRDVMIU-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](Oc2ccccc2C(C)(C)C)C1	85151829	NFMXVRQCWAJGNL-KGLIPLIRSA-N	246.394	4.942	0	10	BJAE	
C[C@H]1CCC[C@H](Oc2cccc3ccccc23)C1	85152072	HKVQHQHRTFPNQV-ZFWWWQNUSA-N	240.346	4.797	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccncc1Cl	86833113	LNTMBJPLECTDEF-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](O)[C@@H](C)C(C)C)cc1	90484904	JZZJHFPOHMVEME-BBRMVZONSA-N	248.410	4.700	0	10	BJAE	
CCCC[C@]1(N)CCCC[C@H]1C1CCCCC1	103944484	OQLPLARWBWFJTA-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
CC/C=C\C[C@H](C)c1cc(C)c(C)cc1F	107566924	XMVFHSOSLZGGCO-ZADCQDASSA-N	220.331	4.902	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC[C@@H]1CCCC[C@@H]1C	109937687	VXDJJGDSZBLHEK-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H]1C[C@H](C)c2ccccc21	111898731	WYJGPGQXRYNHKF-STQMWFEESA-N	202.341	4.858	0	10	BJAE	
Cc1ccc(Cl)cc1[C@H](O)CCCC(C)C	124293268	OHMJZSQPVUOTTB-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
CCCN[C@@H](c1csc(C)c1)C(CC)CC	129479143	VZNRAGMSDPXGBS-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
O[C@@H](CCC1CCCCC1)CC1CCCCC1	168799703	DPCDHXIYPYSITI-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
COC/C=C/B(C1CCCCC1)C1CCCCC1	205310919	RLYJYCZHLXUALQ-MDWZMJQESA-N	248.219	4.892	0	10	BJAE	
Cc1ccc(OCc2cccc(C(C)C)c2)cc1	205437572	ZEPUVWRKMFAJCA-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H]1CCCC(C)(C)CC1	212524118	GBHTZVXYJJRLSI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1N	222553821	SYCODYXBFUMBSF-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)C2CCCCCCC2)C1	227040997	FAEGAZUDXIYZDN-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1CC(CC)CC	227535249	ZJDOUQUDVNRPCZ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)C)C1(CC)CCCC1	229175343	LQEORJADPUJOFU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC([C@@H](N)c2c(C)cccc2C)CC1	232903259	PFNNVJQWBGJIFL-VMBOVVBDSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](O)(CC)CCC	233013765	QVQVRSWLOPPQPP-ZIAGYGMSSA-N	214.393	4.534	0	10	BJAE	
CCCCCCN[C@@H]1CC[C@H]2CCCC[C@H]2C1	250795910	ARZBROVXVVBURX-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)cc(NCCCC(C)(C)C)c1	300790388	BUYVVECDHLVEHM-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H](C)CC(C)C)s1	301012163	YZTVODQTXJOXDD-NSHDSACASA-N	238.396	4.566	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](CN)c1ccc(C(C)C)cc1	302531366	GPTDQHBAYPLDCX-PBHICJAKSA-N	247.426	4.535	0	10	BJAE	
Cc1cc(C)c([C@H](N)C[C@H](C)CC(C)C)c(C)c1	305912593	FZQUGIHRXKNXCR-MLGOLLRUSA-N	247.426	4.684	0	10	BJAE	
CC(C)c1cccc(NC[C@H](C)C(C)(C)C)c1	305982451	FTFACQLCQWZVJQ-ZDUSSCGKSA-N	233.399	4.904	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCC1CCCC1)NCC	306060426	WULODZUQZPXWRI-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCc1c(Cl)cc2ccsc2c1CC	306848051	KWAGGVWOEBFEEP-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CC[C@H]1CCCC[C@H]1n1ccc2c(F)cccc21	310560757	YLYZXOBQHWTVKS-SWLSCSKDSA-N	245.341	4.922	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1ccccc1C(C)C	310836380	LJMYCZQQPUXQQT-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C[C@H]2CCC[C@@H](C)C2)c1	310970935	ICIAAXPVNYJAFF-ISTRZQFTSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1ccsc1Cl	312511146	ASKPDAODENBSMH-ONGXEEELSA-N	245.819	4.618	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC12CCCCC2)C1CC1	313006867	MQSBYWCCMHIROC-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)CC1(CNC)CCCCCCC1	316875111	AIXCNUQBKXYHQD-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C/C=C\CC1(CNC(C)(C)C)CCCCCC1	318822194	ZTYDCWTWSLCBTR-WAYWQWQTSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CC[C@@H](C)C1)C1CCCCC1	384095341	ZPBLDGNGVIUSSS-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
Cc1cscc1NCCCCCC(C)C	387293722	XLFJPLHGEZDPAR-UHFFFAOYSA-N	225.401	4.685	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCC2CCCC2)CC1	393960980	RDCMWWATYYNETL-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCc1ncc(C2CCCCCC2)s1	394568107	JXPRLHIRHCSILP-UHFFFAOYSA-N	223.385	4.533	0	10	BJAE	
CCC(C)(C)CNc1cc(C)c(F)cc1Cl	394606439	RCHXATJZMJHMLR-UHFFFAOYSA-N	243.753	4.636	0	10	BJAE	
CC(C)Cc1cccc([C@@](C)(O)CC(C)(C)C)c1	394973639	BGHDJOXOXPENLB-KRWDZBQOSA-N	248.410	4.529	0	10	BJAE	
CCC[C@](O)(c1ccccc1C(C)C)C(C)(C)C	395290325	YQCIMTWRSZALRI-KRWDZBQOSA-N	248.410	4.844	0	10	BJAE	
CCc1ccc(C)c2sc(C(F)F)cc12	396223713	OKVVIJCSKHGLTA-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCOc1cc2sc(C)cc2cc1C(F)F	396256749	YDZTUCQBCFCZTC-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1cc2ccsc2c(C(F)F)c1S	396257903	WOYANOBWJJUFRO-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
Cc1cc2ccsc2c(C(F)(F)F)c1S	396313302	YNZBJTNNOUEWMM-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCN[C@@H](c1ccccc1CC)[C@H](C)C(C)(C)C	399110717	LEAVJQNYKPZDQO-XJKSGUPXSA-N	247.426	4.582	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1CC[C@@H]2C[C@H]2C1	403392940	NMAYHXRMNAEYMF-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CCCC1CC1)NC	405706756	CUOBASSDDMRJNO-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC(C)(CCC[C@@H](N)C(C)(C)C)c1ccccc1	686728133	DFOYUSUMEXHOCL-OAHLLOKOSA-N	247.426	4.508	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1N[C@H](CC)CC1CC1	691170344	HAAWXBGETZHAKJ-ARFHVFGLSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)c1cc(C)cc(C)c1	695099536	OOHYPKXOBWYZKG-HUUCEWRRSA-N	247.426	4.779	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCCC2(C)CC2)CC1	698177381	SFZPKDPNKMIJAE-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
N[C@@H]1[C@H]2CCCCCCCCCC[C@H]2C12CCC2	700895371	YOTYFDFRPDZQLO-ARFHVFGLSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C(C)(CC)CC	701097942	ZWZCGEMWABDWEQ-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
CC(C)CCCCNc1cccc2c1CCCC2	703968113	JCRRSRPWWAGUHO-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
N[C@]1(CC2CCCCC2)CCCC12CCCCC2	704440412	GNPOLACAIUJQDN-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@H]1CCCC[C@@H]1C	704933011	SYGXPQTVORSVKF-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@@](C)(N)CC1CCC(C)(C)CC1	704938257	JWORSVJSVSMLDL-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@](N)(CC1CCC(C)(C)CC1)C1CC1	705325878	QVLMGLZHKGWMBU-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCCCC[C@@H]1C	707548253	WSFLWKKRQGLGIG-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1C[C@@H](C)CC(C)(C)C	709099047	ATTMRPNKCFEMRL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@]23CCCC[C@H]2C3)cc1F	709129315	MYOVBPVRALIGNO-WWGRRREGSA-N	247.357	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@H](C)CC(C)C	709278812	ZXANEPNLWAMWAV-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C23CCC(CC2)CC3)C[C@H]1C	710324281	SFQWFNRZWXQTGP-RXKGYNAASA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)(C)C)c1c(C)cccc1C	711123917	SOIPLJCRQOIWSX-CABCVRRESA-N	247.426	4.636	0	10	BJAE	
Cc1ccc2c(ccn2C[C@@H](C)C(C)(C)C)c1	711144886	HDHLESSRVGBHFR-CYBMUJFWSA-N	229.367	4.632	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1C[C@@H]2CCCC[C@@H]21	712389074	NAEBNPXEDKMIOK-SLEUVZQESA-N	249.785	4.639	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC(C)(C)CC	713248164	MEAUOZFWGQCADO-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)[C@H]1CCCCC1(C)C	713761699	JGCBYRWQLRYEOB-KTYGHDLGSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H]1CCCCCC1(C)C	719220788	SQZKBKHVAVMURD-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCCCC[C@@]1(O)CC1CCCCC1	719275533	XTKYXPJIGQTFDW-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CCCC1CC1	720160093	UCKRZEUCTLBSTA-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
Cc1cc(-c2cc(Cl)ccc2C)cs1	722408956	AYNBYZAMIDKAME-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1CC(C)(C)C1	723532371	JBAOBIZRTPRFNU-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@@H](C1CCCCC1)C1CC1	723949638	SYGPLGQGLGIPGW-GUYCJALGSA-N	249.442	4.514	0	10	BJAE	
CC(C)N(CCC1C[C@@H](C)C[C@H](C)C1)C(C)C	1168422702	AJTMBKXSRFTTSY-GJZGRUSLSA-N	239.447	4.568	0	10	BJAE	
CCc1cscc1N[C@H]1CC(C)(C)C[C@H]1C	1902391344	SLLICIIDCNHDMF-PWSUYJOCSA-N	237.412	4.547	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC[C@@]12CCC[C@@H]1C2	1908415902	VZCUENSLYNBKJD-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1C[C@H]1C1CCCC1	1910660259	BXENJBMRQBYRJX-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CC1CCC(C)(C)CC1	1910660359	DCXRGBJOPUSVRI-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](CCCC(C)C)NCC	1910762543	KVGFJZJPQLDAQL-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@H](NC)C1(CC(C)C)CCCC1	1911885715	UEUBTBDPNUNHLU-INIZCTEOSA-N	249.442	4.703	0	10	BJAE	
CCCNCC(=C[C@@]1(C)C[C@H]1C)C1CCCCC1	1911929705	WROLKBFNBQKQBM-RHSMWYFYSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)C[C@H]1CCCCCCCCC1=O	1913381290	ZXRAXAIDPSRISU-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)[C@@H](C)C1CCCC1	1924129924	JQZQWCDHGPJSQP-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C1CCCCC1)[C@H](C)CC	1924147501	FXLQDILDYMERNM-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C=C1[C@H](CN)CCCC12CCC2	1924833663	IGFPHZMQZUTMRO-CABCVRRESA-N	249.442	4.524	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]21	1925738704	XCKMCQUNOPFVPS-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CN[C@@H](CCC[C@@H]1C=CCCCC1)C(C)(C)C	1925945800	OBNJEYCXOFMUMB-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cc(Cl)sc1C	1933607638	LZEWHAOUZJKXOS-SNVBAGLBSA-N	246.803	4.570	0	10	BJAE	
CCCCCC[C@H](C)NCCCC1(C)CC1	1935919985	AWVCXZPYACPRTH-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
Cc1ccc(OC[C@H](C)CC(C)C)c(Cl)c1	1936603744	GXRSOLQCTNZLFI-GFCCVEGCSA-N	240.774	4.709	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1CCC[C@H](C)CC1	1939898858	LPJXJEMRXXKCIV-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](C)C(C(C)C)C(C)C	1940246153	NZIHDGMVLWOWPZ-ZNMIVQPWSA-N	241.463	4.717	0	10	BJAE	
C[C@@H](C[C@H]1CCC[C@@H](C)C1)c1cccc(N)c1	1940976670	OJVBZGRXHCBVGW-RDBSUJKOSA-N	231.383	4.589	0	10	BJAE	
CC1(C)CCCC[C@H]1NCCCCCC1CC1	1941581086	GZUQPLKJLKWPRU-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CCCCCC1CC1)NCCC	1941584522	AIESZBWFZFFOGP-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)CC1CCCCCC1	1942651794	ALQQKRGRXPLHSB-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@@H]1C=CCCC1	1947562635	QWPVPMLPNNPDCW-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(O)CCCCC12CCC2	1947914454	TVJGMGDNOACZJD-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)NC[C@H](C)CC(C)(C)C	1948333586	SVSARHODRGVYOS-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC1CC2(CCC2)C1	1949841090	ALPUBKQRAVFBRA-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCCC(=O)c1cccs1	1961231595	LBPLPFDVJMCFEQ-UHFFFAOYSA-N	224.369	4.537	0	10	BJAE	
C[C@H](CN1CC=CCC12CCCCC2)C(C)(C)C	1966511427	KTJBBOYMXBDYSS-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CC1(C)C2CCC1(NCCC1CCCCC1)CC2	1967766724	OVDIXVIWWLLZEI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(O[C@H]2CCC3(CCCC3)C2)c1	1968308738	YWSSIHGVESVPMU-HNNXBMFYSA-N	244.378	4.795	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC(CC1CC1)CC1CC1	1969956435	ZOAODPFDLRTBMP-INIZCTEOSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CCC=C(C)C	1978428737	QBPNBJIDLJBWDI-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCCC(C)(C)C1	1980273336	CTLOBEDRCOWPGA-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H](O)CC1(C)CCCC1	1980379994	HKOSZCGSMYYODO-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CC=CCCCc1cc2cccc(C)c2o1	1984605378	AQEGFDDVGWASJX-UHFFFAOYSA-N	214.308	4.640	0	10	BJAE	
CCC[C@@H](C)C(=O)CC1(C(C)(C)C)CCC1	1989449272	XCMXBXBJQGCKLM-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@](O)(C=C1CCCCC1)CC	1990091043	JNYFYJAVIMTJMF-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CCCC1(COc2cccc(Cl)c2C)CC1	1990573710	YTRYIOOSQBBSOP-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCCC1(C[C@](O)(CC)C[C@H](C)CC)CC1	1990615094	VDTRSVJKEABBTL-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C(=O)c1ccc(Cl)c(C)c1)C(C)C	1993192953	BDQJMAIJNUBARH-LBPRGKRZSA-N	238.758	4.513	0	10	BJAE	
CC(F)(F)CCCCOc1ccc(Cl)cc1	1993601586	WZPJUNIRIJSBSL-UHFFFAOYSA-N	248.700	4.544	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@H]2CC=CCC2)n1	1995444830	PNISNCYSKHVORQ-NEPJUHHUSA-N	235.396	4.555	0	10	BJAE	
C[C@H]1CCCC[C@@H]1c1nc(C2CCC2)cs1	1995468768	BDQFRZKSVYTBNF-JQWIXIFHSA-N	235.396	4.704	0	10	BJAE	
CCCC(C)(C)C(=O)[C@H]1CCC2(CCCC2)C1	1996611528	CPIMFWUFRDPWQT-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1CCCCC1(F)F	1996612115	HFAQKNPIMSHURV-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CCC1CCC1	1998047234	IOATZQUTSLIXNZ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC1CC(C(C)(C)C)C1	1998236334	HWWDRBDNBJJBLX-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2CCC=CCCC2)C1	1999984208	VRIPPHLPZCDMGU-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)[C@H]1CCCC(C)(C)C1	2000031976	KDYDOTLZBNOHDU-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C[C@H]1CCCC(C)(C)C1)NCC	2000175888	ICUVLWZDFHSUCI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)[C@@H](C)CCC(C)C)C1	2000190290	LMCZHQHQKMGBQE-AEGPPILISA-N	236.399	4.620	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2	2000215462	VPIAOURCMWKUMX-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H]([C@H]1CCC1(C)C)C(CC)(CC)CC	2000381617	GPEVWMKIOQDIDH-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@@H](CCCC2CC2)NCC)CCC1	2000383221	VYDABDMGRRMOFG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CCCC(C)(C)C)C1	2002997434	CNYZPTJNWKFQRJ-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CC1(CCCC2(N)CCCCCCCC2)CC1	2003093366	SAXWWEBKAUEQDC-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CC=C(C)[C@H](NCCC)C1(C)CCC(C)CC1	2007853882	NSSOBWODTDFVNN-SIWZUTFBSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1CCC(C)(C)CC[C@@H]1O	2009408074	QWNOYXSQWCAWEG-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H](C)CC(C)(C)C	2009633735	BMPXJBUKWQYCKE-MMCPSDEHSA-N	239.447	4.783	0	10	BJAE	
CCCCCC1CC(N[C@H](CCC)C2CC2)C1	2009713694	DSVQKUWEJDSGAW-AVVWSFFYSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCCCC23CC3)c1	2011276676	CZNJNTZSWULERZ-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@@H]1C)C(CC)CC	2011584988	XNACMDJOTJBHLX-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@H](C)[C@H](C)CCC(C(C)C)C(C)C	2015342902	AGLXIDMPYPIGCM-CABCVRRESA-N	241.463	4.577	0	10	BJAE	
CCCNCCC=CCCC(C(C)C)C(C)C	2015358753	SJDVFDBRVFPPLW-UHFFFAOYSA-N	239.447	4.641	0	10	BJAE	
CCCC[C@H](CC1(CCC)CCC1)NCCC	2015641573	GTRLRJXVTAGTBB-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CCC1)[C@@H](C)CC	2015642647	SLNWAKCPANZMQW-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@@H](C)C(C)(C)C)CCC1	2015643765	GJWMGVVQDSFWBH-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](N[C@H](C)C1CC=CC1)c1cccs1	2016325991	BMUWFPCJFQXQJB-OCCSQVGLSA-N	249.423	4.534	0	10	BJAE	
CCNCC(CC)(CC)CC1(C(C)C)CCC1	2017146312	RJUQAUITOGJXTN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C(C)C)[C@@H](C)N)CC1	2017720359	GLKKBOJJYCVERT-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)C[C@H]1CC[C@H](CC)CC1	2017773564	CDRAMZKHFLNRHC-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@]2(C)C[C@H]2C)CC1	2017775820	HGHFBOIHADNGLT-WOICTCIZSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H]1C=CCCCC1	2018131529	OROMJXWNHBBFMJ-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCNCCC=C(C)C[C@@H]1CCCC(C)(C)C1	2024094650	LTZLVZDVGULGRV-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CC(C)c1ccccc1-c1nc(Cl)ccc1F	2024686442	YDFQSNMBLJSAJT-UHFFFAOYSA-N	249.716	4.665	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@]1(C)CC1(F)F	2026075050	RMJIMHIKSKPJEZ-WCQYABFASA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@H]1CC[C@@H](C)C1	2026142186	HRUZEZXYZAZCLH-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)[C@@H](C)CCC(C)C	2026166876	MXTCYUIPGDYHGJ-HRCADAONSA-N	241.463	4.993	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CCCC1(C)CC1	2026169545	JDTRWGOPKMWEJN-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CC(C)c1ccccc1C(=O)CCCC1(C)CC1	2027840357	QAHSZFQRCVUPEK-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCC(CC)C[C@]1(CNC2CC2)CC=CC[C@@H]1C	2027926939	SGTRDIXIPWKSCY-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)C=Cc1ccccc1	2028587997	JTNFQPHWQYIUOT-IRXDYDNUSA-N	246.394	4.523	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc(C2(C)CC2)cc1	2028607212	CAFYXXLSUOAKTO-MRXNPFEDSA-N	246.394	4.742	0	10	BJAE	
CCN[C@H](CCC1CC1)[C@@]12CCCC[C@H]1CCC2	2031761516	URGWRWBTNQLDRX-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(=C[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccc(N)cc1	2031802640	ZCDJIWFMGNWRNG-NHAGDIPZSA-N	243.394	4.744	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H]1CCCCC12CCC2	2035402581	DTMKOYQMEREDMS-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
O[C@@]1(C[C@@H]2C=CCCC2)CCCC12CCCCC2	2035586285	BDFRSKQMTMWZKD-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@@H]1C=CCCC1	2035598706	KNKVOLJPMOHAGG-PBHICJAKSA-N	243.394	4.556	0	10	BJAE	
CCC1(C)CC(C(=O)c2ccc(C3CC3)cc2)C1	2036477792	PBZAWISCHDOMGO-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CC2CC3(CC3)C2)CC1	2036725811	VWEFOGWBMUSDTO-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)c1ccccc1)CC(C)C	2036948632	CPUCVCXHGRZUHF-WBVHZDCISA-N	247.426	4.595	0	10	BJAE	
O[C@@H](CC1=CCCCC1)[C@H]1CCC2(CCCC2)C1	2037571079	JIONXUREAKXAKE-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CC(C)(CCNC1CC1)[C@H]1CCC2(CCCC2)C1	2037692477	UFKIDFOTNCZJHU-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@@H]2CCC3(CCCC3)C2)CC1=O	2037856902	SHDNUNXCFHXIRW-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC12CC2)CC1CCCC1	2038114624	LVSXDYDAHSRKOS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H](C1CCCCC1)C1CC1	2038358211	RVEKZJXOMNZBLP-IAGOWNOFSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NC1CC2(CCC(C)(C)CC2)C1)C1(C)CC1	2038940702	NUHLQTAOOBXKHK-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCC[C@@H](C)CC2)cc1C	2039373952	JRKDCZHMMKBPER-IUODEOHRSA-N	244.378	4.703	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CC2CC3(CC3)C2)CC1	2039386436	RCBDPPIQRFKRSY-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@@](C)(N)CC2CCC=CCC2)CC1	2040651816	VCGIYVOKNRTWKL-PREGVCBESA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@](C)(N)C2CC3(CCC3)C2)C1	2043540254	JEAJVYJJFDENMX-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
OC1(C[C@H]2CCC=CCCC2)CCC2(CC1)CC2	2045333188	WYAGDZVTPBXFSK-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC=C[C@@]1(O)C[C@@H]1CCC=CCCC1	2045335650	UYOMVZSIOYXFQF-NVXWUHKLSA-N	248.410	4.620	0	10	BJAE	
NC1(C[C@H]2C[C@H]3CC[C@H]2C3)CCCCCCCC1	2049678990	QZNMOCNKIUMSLV-HRCADAONSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC2(CC2)C1)CC1(C)CC1	2049862665	WNBKEYYVBNUUHC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1ccc(C)c(C)c1	2051408568	LRZGTILXSNFLFK-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CC1([C@H](N)C2[C@H]3CCCC[C@H]23)CCCCCCC1	2052477620	GWXWANQDYYFTFF-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCN(C)C1C[C@H]2CCC[C@H](C1)C2	2055233721	BZWOCATUQCYSJF-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
C[C@@H](C[C@@H](N)C1(C)CCC2(CC2)CC1)C1CCC1	2056556877	NMCNWOAHSMVGFY-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CC1CC(C2CCC2)C1	2056650974	MBSDDJVIXFKNNX-KMZOKZLKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC1CC(C2CC2)C1	2056650992	MGVOZZUCEZLXCZ-MHVXSEJMSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CC=C(CC(=O)c2ccccc2)CC1	2061196518	RPHXVBIBKGMELD-OAHLLOKOSA-N	242.362	4.642	0	10	BJAE	
C=C=CCC[C@H](NCC)C1(CC(C)C)CCCC1	2061562048	ZDKZXWDUTMMCNS-INIZCTEOSA-N	249.442	4.692	0	10	BJAE	
C1CCCC(CNCC[C@]23CCC[C@@H]2C3)CCC1	2061591010	HLFUGBHOTBZZTQ-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CC[C@@]23CCC[C@H]2C3)C1	2061619153	ZCJFZWWUYRKJDW-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)[C@@H]1CC=CCC1	2062640557	DHYMQZUXITVNIW-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(CC1CC1)CC1CC2(C1)CC(C)(C)C2	2063204004	LLIPVPAVJRZWHO-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC(C[C@H]3CCCCCC3=O)C2)C1	2063209503	UXXAGRKSWDNNLM-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC=C=CCCNC1CCC2(CCCCC2)CC1	2067325826	PBDLVHYRULVWKA-UHFFFAOYSA-N	247.426	4.590	0	10	BJAE	
CCCC1(C[C@H](N)C2CCC3(CC2)CC3)CCC1	2069284521	JIBHNJQMVVYXGO-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	2069285309	QIGRNVACXUTMIA-FOLVSLTJSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCCN1CCC[C@H]1C1CCCCCC1	2071968104	BKSFUMVFBZDOSN-YATRRXNKSA-N	249.442	4.778	0	10	BJAE	
CCNC[C@]1(C[C@H]2CC[C@H](C)CC2)CC=CCC1	2072803516	IWOTYUBHVOYPJG-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)C[C@@H]3CCC[C@H]32)CC1	2072807455	WJPTWEOUUHNFKR-VIQHNZTISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@]12CCCC[C@@H]1C2	2074025158	MMBIWZKWTAEBJJ-OIISXLGYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)CC12CCC(CC1)C2	2074641645	LARHDRCFEQBRGS-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCCCCc1ccc(-c2cccc(N)c2C)o1	2077976347	RAQDZDHGKYNTCX-UHFFFAOYSA-N	243.350	4.570	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2C[C@@H]2C2CCC2)CC1	2079323603	IUSJPCITRWDRQQ-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](N)[C@H]1C[C@@H]1C1CCCCCC1	2079426358	ALEACHQSXAAHTB-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CC(C)CN(CC=C1CCC1)C1CCCCCC1	2081806774	OGVYAWHASDTYDZ-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(CN)CC23CCCC3)C1	2082986907	OJLOGWLBCDGWDZ-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
Cc1ncc2ccccc2c1CC1CC(=C2CC2)C1	2125733088	KAHKLHAUESXXCN-UHFFFAOYSA-N	249.357	4.586	0	10	BJAE	
CCCCC[C@@H](N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213291409	CCVNKOCBQIJWNW-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCCC(=O)CCC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213301207	ZLHBERUZDYZULJ-FICVDOATSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)C[C@H](C)CC(C)(C)C	2215254926	QIYYWEUFSAKRDS-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)CN[C@@]1(C)CC=C(C)CC1	2215794941	ASJLVZWZUXLZQR-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC1=CC[C@H](NC2CCCCCCCC2)CC1	2215835772	SZTIKXMKOOCVMQ-INIZCTEOSA-N	235.415	4.578	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	2218018318	UMMNRVUUOQCRFH-QBYUYEEZSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@H](CC)Nc1c(C)cccc1OC	2220300549	JWKMIVUVWIIEOO-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CCNC[C@]1(CC2(C)CC(C)(C)C2)CC=CCC1	2221027465	GUSTZFNYDDZSDJ-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CCCCC23CCC3)C1	2221040635	PGNSJSYYBDOUNY-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@H](N)CC2(C)CC3(CCC3)C2)C1	2221071424	JTNRRZKBDLLFFP-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](CC)(CN[C@H](C)CC)c1ccccc1	2223558443	MQEJRBDINFAZBV-WBVHZDCISA-N	247.426	4.523	0	10	BJAE	
CC1=CC[C@@](CNC2CCC2)([C@H](C)C(C)C)CC1	2223605372	YBFCEHIOMSLGTR-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc([C@H](N)C(CC)CC)s1	2242599230	RQORSEJYYFJMCA-CQSZACIVSA-N	239.428	4.527	0	10	BJAE	
CC=CCCCC1C2CC3CC(C2)CC1C3	2245909328	GDBWXARIQXBVIO-UHFFFAOYSA-N	218.384	4.805	0	10	BJAE	
CC(C)(C)CC(=O)CC[C@H]1CCCCC12CC2	2246628081	VXKDXMIVFNAARL-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCNC[C@H](CC)CC[C@@H]1CCC[C@@H](C)C1	2246664801	JJWZTGXLZMIYMS-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCCCNC[C@@H]1CCC1(C)C	2247394673	QILQKNYXDBIFTN-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CCCCCC[C@@H]1C[C@@H]1C)NC	2248809433	RTSGVTYRPJMUKI-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCCC[C@@H]1N	2250513055	DAEXLROWKROTKD-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)CCC(F)F	2250516348	HWJAEYRQURLXQO-STQMWFEESA-N	249.389	4.602	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@@]12CCCC[C@H]1CC2	2251178763	GQUQSZDZADLLBQ-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](O)(C[C@]12CCC[C@@H]1CC2)C(C)(C)C	2251214960	IAARZYMYJMLJJP-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CNCC(=CC[C@H]1CCCCC12CC2)C(C)(C)C	2253800306	GWOANWOPMPTHFU-CQSZACIVSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H]1NCC[C@H]1CCCCC12CC2	2253892797	YXZFCLXORKORKH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1CC2(CCCC2)C1)C1(C)CCCC1	2254113497	OMCQUKDJGDLPRH-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
NC1(CC2=CCCCC2)CC(C2CCCCC2)C1	2255101886	KUAWEHBQJWUIHU-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CCCc1ccc(CN(C)[C@@H](CC)CCC)cc1	2256314130	NPHGICZGFDLEKY-KRWDZBQOSA-N	247.426	4.650	0	10	BJAE	
C[C@@H](NC1CCCCCCCC1)[C@H]1CC12CCC2	2256439684	NYQSYYNDRVVWJF-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC1CCC(C[C@H](N)[C@]23CCCC[C@H]2CC3)CC1	2260499299	DJMCCHVXLRYKID-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)[C@]12CCCC[C@H]1CC2	2260525882	YUVSQAHFUXLVGB-OEUWWYETSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@]12CCCC[C@H]1CC2	2260583307	OCDNTBBTAMXGPZ-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2260622451	MAGOTIDPFCLDMG-CPBWPMLKSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCC[C@](C)(N)[C@@H]1CC[C@@H](C)[C@H](C)C1	2300503389	LTFGVVMEVAUXCR-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CC[C@](N)(CCCC1=CCCCC1)C(C)(C)C	2302331468	MEIFWPZEKFYIAV-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(N)CCCCC2(C)C)C1	2302689452	HAILLHZHMVDSKM-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCCCN(C[C@H]1CCC(C)(C)C1)C(C)C	2302876045	PHAHWUYUFZPUGW-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)N(CC)C[C@@H]1CC[C@H]1C(C)(C)C	2303493138	VJMGOAJMQWHYHI-DZGCQCFKSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CCC(C)=C(C)C1	2303593097	SIWDFLVSKIJNCZ-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cccc(C(C)C)c1F	2307561655	UDWVYJBHZURIQL-VXGBXAGGSA-N	237.362	4.796	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@H](CC)C1CCCC1	2307746217	CALSAVQRMKKTAG-GDBMZVCRSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1CCC(C)(C)CC1	2307824577	WYMSXWRKVAICBR-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CNC(C)C)C=CCC1	2307843811	PIYPGVDEKSNEJU-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)[C@H]1CCC[C@H](C)C1	2307845054	PETKPAPMWPVACR-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CCC2(CC1)CC2	2307926427	NQVRHDKLYUASAQ-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](N[C@H]1CCC[C@@H]2CC[C@H]12)C1(C)CCCCC1	2309517096	AJOQTFGSYFTLLM-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@]1(C[C@@]23CCCC[C@@H]2C3)CCCCCN1	2311145990	KRQJCPYCOQCPGR-IKGGRYGDSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)C[C@@]12CCCC[C@@H]1C2	2311148202	RXYHUZKAHLZURP-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@@H]2CC[C@H]1C2)C1CCCC1	2312945364	BBYLIYFNYGAJSL-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CCc1cc([C@H](N)C[C@@H](C)C(C)(C)C)ccc1C	2314701619	DRSKHVGFVAMNCZ-CZUORRHYSA-N	247.426	4.630	0	10	BJAE	
CCc1cc([C@@](C)(O)CCCC(C)C)ccc1C	2315919605	XDJCUAJOUHVLHI-KRWDZBQOSA-N	248.410	4.591	0	10	BJAE	
CN(CC1CCCCCC1)[C@H]1CCCC12CCC2	2316887082	ZQPYIOAKRRYMJX-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)c1cc2ccccc2o1	2317831776	PZAUYUKBEYALJB-RYUDHWBXSA-N	244.334	4.544	0	10	BJAE	
C[C@H](CC[C@H]1CC[C@@H]1C1CC1)c1ccc(N)cc1	2319752581	YVDXYUPFWYYCGR-IFIJOSMWSA-N	243.394	4.589	0	10	BJAE	
CC(=C[C@@H]1CC[C@@H]1C(C)(C)C)[C@H]1CC[C@@H](N)CC1	2320253549	MRSWEAMWFGNSRA-JONQDZQNSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@](N)(CC2CC2)C2CC2)C1	2320615899	CHUWQSUIVMWODA-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(F)CN(C)Cc1cccc(C(C)C)c1	2320646618	VRIYVFNTDOUWPJ-UHFFFAOYSA-N	249.373	4.505	0	10	BJAE	
CC(C)c1cccc(C[C@H]2CCCCCC2=O)c1	2320664193	JQTCKIWOZZGFTA-MRXNPFEDSA-N	244.378	4.502	0	10	BJAE	
Cc1ccc([C@@H](C)NC2CCC(C)CC2)c(C)c1	21805980	ZNDXGAPKCRGSCW-DSSZZKGTSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@H](NCC)c1c(C)c(C)cc(C)c1C	35547049	TXSGKYCEFJPNEP-INIZCTEOSA-N	247.426	4.761	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc2ccccc12	37188622	VTLCOYIBYYIABE-CYBMUJFWSA-N	227.351	4.830	0	10	BJAE	
Cc1cccc([C@H](C)Nc2cccc(Cl)c2)c1	37202491	IZRACIKGEXFQBC-LBPRGKRZSA-N	245.753	4.822	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@@H]2CCC[C@@H](C)C2)cc1	70941212	IWSOOAZQXIADEN-KBRIMQKVSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1cccc(SC)c1	70977214	AJXHDWYMDVEUNX-IUODEOHRSA-N	249.423	4.789	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(C)c(C)c2)C1	71105697	DZSGMDIAAJUBNN-GJZGRUSLSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@](CC)(CCC)CNC(C)(C)C	71127987	ZUSROHWPKAPIQK-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	82434051	OSWJZBPKAJNPLD-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1c(Cl)cccc1Cl	83847864	FPYFSFHMTPKJDM-RKDXNWHRSA-N	246.181	4.840	0	10	BJAE	
CCCc1ccccc1N[C@@H]1C[C@H](C)CC[C@@H]1C	85097356	LNAWMSLLIDSRKV-JKIFEVAISA-N	245.410	4.876	0	10	BJAE	
C[C@H]1CCCCC[C@H]1N[C@H]1CCC[C@@H](C)CC1	88508642	YDYDOGFSBRJUGL-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](N)[C@@H](C)C(C)C)cc1	90482837	XYCNHDGJYAWOJD-BBRMVZONSA-N	247.426	4.666	0	10	BJAE	
Cc1ccc([C@H](C)NCC2(C)CCCC2)cc1C	104446080	SDMDJWOMBGVPFM-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)c1ccc(C)cc1	109705107	NVGJIDDOUGHQOJ-NVXWUHKLSA-N	247.426	4.775	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(C)cc1OC	109915413	FGYRKHMPQSIRNA-JSGCOSHPSA-N	249.398	4.630	0	10	BJAE	
CC[C@H](N[C@H](C)c1cc(C)c(C)cc1C)C(C)C	109929168	FMIHKQFHFAQVDC-WBVHZDCISA-N	247.426	4.697	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](c1ccccc1)C1CC1	111663952	ZVGWWSAUGPDZAE-SUMWQHHRSA-N	245.410	4.552	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C1CCCCCC1	127789694	MATDOHCIPFWWFS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCC[C@H](CC)CC1	127878945	YLTKAMOOLSQBGJ-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
N[C@@H](CC1CCCC1)c1cccc(C2CCC2)c1	133617358	FELGBPQDCDLJQK-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CCCCCC[C@@H]1CC(C)(C)CC[C@@H]1CNC	135188881	INYJFPJVZVWMFY-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)CC(=O)c1cc(Cl)ccc1Cl	164261755	OGXYKXPMFQIHQP-QMMMGPOBSA-N	245.149	4.612	0	10	BJAE	
CCCCC1CCC([C@H](O)CCC(C)C)CC1	168279450	LOVRZYUBOAJEOY-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)c1c[nH]c2ccc(F)cc12	232997733	ZRDCHQFSMOJVAP-LLVKDONJSA-N	233.330	4.991	0	10	BJAE	
CC[C@@H](c1c[nH]c2c(C)cc(C)cc12)C(C)C	233992667	ISYDDUSEWYUISQ-CYBMUJFWSA-N	229.367	4.934	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNC2CCCCCCC2)C1	235371574	SKVLBUNXMOPBMP-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CCC(c2ccccc2C=O)CC1	258365163	PJMREULIQBGMGB-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCCC[C@H](C)C(=O)[C@@H]1CCC[C@@H](CC)C1	300936597	NFRDAASZHWPCKX-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](O)[C@H](CCCC(C)(C)C)C1	302326832	RNPCOSAZZNJORC-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1c(C)c(C)cc(C)c1C	302480627	YRCTZJDACILHSM-DIFFPNOSSA-N	247.426	4.746	0	10	BJAE	
CCN[C@@H]1CC[C@](C)(CCC2CCCCC2)C1	305913779	GHXKKIDKVDRZLH-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@@H](CC(C)C)C[C@@H](C)CC(C)C	305991638	SXQZEGJQTHWIDH-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CC(C)CNCCC(C)(C)C[C@@H](C)CC(C)C	306018051	XXZIGCCBHCNUSK-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CCN[C@@H](c1ccccc1C)C(C(C)C)C(C)C	306108522	UNZKVFCNIOKSOG-KRWDZBQOSA-N	247.426	4.574	0	10	BJAE	
ClC(Cl)=Cc1cc2ccccc2s1	306792969	DYQQQWLHYTZGLU-UHFFFAOYSA-N	229.131	4.677	0	10	BJAE	
CSc1cc(C)cc2sc(Cl)cc12	307468735	NCODILUNGBQEQJ-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1sccc1F	309196149	ALDPDVHKSWUIOD-CMPLNLGQSA-N	244.375	4.527	0	10	BJAE	
CCCCCc1ccc(N[C@H]2CC[C@@H]2C)cc1	310339778	CMDHJJVDNGWKQQ-BBRMVZONSA-N	231.383	4.630	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)(C)C)CC1(C)CCC1	310507202	KUQOCDNPNXNHEC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)CC1CCC(C)CC1	310770240	OYFJVGORPUDWQE-MOQPWLNLSA-N	246.394	4.553	0	10	BJAE	
CCCC1([C@H](N)c2ccc([C@@H](C)CC)cc2)CC1	310948456	QIJJOPTWUWOSIX-XJKSGUPXSA-N	245.410	4.780	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)c1coc(C)c1	310961913	BEHHGRQSHLXKBP-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(C)CCC[C@]1(C)O	313179086	RTXSSRRRDFBULP-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CNC[C@@]1(CCCC(C)(C)C)CCCC[C@H]1C	316796332	LJZDHYNAOQFYPL-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](O)(CCC1CCCCC1)C1CCC1	322379572	LITGKHRVYWSCMC-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC(C)(C)CC1)C1CCC1	324675305	PJYQKELWKUSTNL-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](NCCC)[C@H]1CC[C@H](CC)CC1	328441994	HBHXSOUSIMKTEL-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCCc1ccc(N[C@H](C)C2CCC2)cc1	379039251	NMBIUESYYUCXQC-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(CC2(C)CCCC2)C1	380045328	TUOJVFYXMBTROU-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@H](Nc2ccsc2Cl)C1	387230243	MYCYPPJLMPLBKW-FXPVBKGRSA-N	243.803	4.638	0	10	BJAE	
Cc1ccc([C@@H](C)NCC(C)(C)CC(C)C)cc1	391213360	WHYGWFYKSHGAMH-OAHLLOKOSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@H]1CCC[C@@H](CCC2CCCC2)C1	393833157	LPFDWAAPIKBNJV-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](Nc1cc(C)ccc1C)[C@H]1CC1(C)C	397574814	FXZUJYQCSQHRSH-KGLIPLIRSA-N	231.383	4.540	0	10	BJAE	
CNCC1(C[C@H]2CC=CCC2)CCC(C)(C)CC1	402112016	BHCDNCRYPPYJAH-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](C)[C@@H](CCC(C)(C)C1CC1)NCC	405837929	WFFRLFHJVXEQKI-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
Cc1c(Cl)ccc2c3c([nH]c12)[C@H](C)CCC3	527404770	NBLCOVMSLTVUNZ-MRVPVSSYSA-N	233.742	4.570	0	10	BJAE	
CCC1(CNC(C)C)CC(C)(C)CC(C)(C)C1	688034618	YBFCKCOIKJXCER-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C1(CN)CC(C)(C)CC(C)(C)C1	688347757	RFNHVCODVVRTFY-ZDUSSCGKSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](Nc1ccc(C2CC2)cc1)C1CC1	690079750	RWRRIHIBUZASEM-INIZCTEOSA-N	229.367	4.555	0	10	BJAE	
CCc1cc(NCC2CCC(C)CC2)ccc1F	690102237	JOKYLUAXUGXWOL-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
CCC[C@@H](Nc1ccc(C2CC2)cc1)C1CCC1	690116744	BCXMMCTWJXEIKJ-QGZVFWFLSA-N	243.394	4.945	0	10	BJAE	
C[C@H](CNc1cccc(C2CC2)c1)C(C)(C)C	690159019	KQAKIEFBPRUWRP-GFCCVEGCSA-N	231.383	4.658	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCCCC[C@@H]2C)c1	691085292	YBEOAMCZENLAPS-SWLSCSKDSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C1CCCCCC1	691190832	XAMLFFOSKFZTDQ-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](C=C(C)C)c1cccc(C(C)(C)C)c1	691654769	UUQATPSSPWKGKZ-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C1CC2(CCC2)C1	691909995	PPPIMPHNJJKTGN-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1CC=CC1)C1CCCCCCC1	692056553	APNBWPZNUFYGAQ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@H](C)C2CCC2)c1	692796588	QWGAEPIVLYBZCL-CYBMUJFWSA-N	244.378	4.504	0	10	BJAE	
Cc1cc(Cl)ccc1NC1C[C@H]2CC[C@H](C1)C2	697698641	KOMXZJZKOGBVDM-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
Cc1ccccc1C(=O)[C@]1(C)CC[C@H](C)C1(C)C	699088438	VDGWBCGLCAQNKV-GUYCJALGSA-N	244.378	4.640	0	10	BJAE	
CCC(C)(CC)[C@@H](C[C@H](C)CC(C)(C)C)NC	701204931	KBHMSIAEQOSKKD-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@]1(N)CCCCC[C@H]1C(C)C	704463016	XMGGZYUYOQSVHA-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H]1CCCC12CC2	706256112	CTUOUUZCNJOCAP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC23CC3)cc(C)c1Cl	706604186	ZEJRODSJLFIPHU-CYBMUJFWSA-N	249.785	4.701	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)C)[C@H](C)CC(C)(C)C	708302899	UCCLHRPTFZHSDB-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H](C)CCC	710249634	WXBKFJZCAQOSGV-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)C[C@H]2CC[C@H](C2)C1	711037554	ZQOQSVPWTFXIHU-ZSHCYNCHSA-N	237.431	4.501	0	10	BJAE	
CC(C)CNCCC(C)(C)C[C@H](C)C(C)(C)C	711128155	NWNZPULEWIAVRN-AWEZNQCLSA-N	241.463	4.721	0	10	BJAE	
Cc1cccc2c1ccn2C[C@H](C)C(C)(C)C	711148471	QQJOXSSVOWAQGD-ZDUSSCGKSA-N	229.367	4.632	0	10	BJAE	
Cc1ccc2c(ccn2CC(C)(C)C(C)C)c1	713236779	RVEWQUWKNKHCOP-UHFFFAOYSA-N	229.367	4.632	0	10	BJAE	
CC/C=C/C[C@@H](C)c1ccc(OC)cc1Cl	714558010	WSUQXWHTWZFNIX-MVIFTORASA-N	238.758	4.808	0	10	BJAE	
CCC[C@H](CCCC(C)(F)F)CNC(C)(C)C	718689266	XJXMJVKRPOAGJA-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC(C)(CC)C(=O)CCCCCC(C)C	721729641	AWNCRGRZDAEHHQ-UHFFFAOYSA-N	226.404	4.988	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)CC[C@@H]3CCCC[C@H]3C2)C1	723610755	BEDKEZBWKVGZJP-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(Cl)cc1C(C)(C)C	822255849	ZCYCOCQIGCZGOJ-UHFFFAOYSA-N	210.748	4.761	0	10	BJAE	
CC(C)[C@@H](C)S[C@@H]1CCCc2ccccc21	1188676064	CZNHXZRZWJZKEX-IUODEOHRSA-N	234.408	4.842	0	10	BJAE	
C[C@H]1CCC[C@H](CCN2C3CCCC2CCC3)C1	1652504207	BFLMYFQHDGWPPR-NJINODPHSA-N	249.442	4.610	0	10	BJAE	
CC(C)C=C(CNC(C)(C)C)C1CCCCC1	1877095388	JBQSQONBDLAFPZ-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN(Cc1ccccc1)C(C)C	1887762406	YAYXDNUFGQGQHE-UHFFFAOYSA-N	247.426	4.723	0	10	BJAE	
CC1CCC(c2nc([C@H]3C[C@H]3C)cs2)CC1	1905258072	KNPMCHRWKWWKJK-RSJDFQLWSA-N	235.396	4.560	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CC(=O)CC(C)(C)C1	1905457216	YEQMUISOHASNJT-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1CCCC[C@H]1CC	1920183661	WLYLVYKUEHNVQM-OAGGEKHMSA-N	239.447	4.891	0	10	BJAE	
CC1CCC(C(=O)[C@@H](C)C2CCCCC2)CC1	1924102125	XJTWSACEAHTQML-OWYJLGKBSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC[C@H]1C=CCCCC1)C(C)(C)C	1925887809	CVJFOHWDKCNQQB-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCCC12CCCC2	1926154246	YWPQTNMNGXWJHK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CCNc1cc(F)ccc1Cl	1926156324	DAFDABQOVDKTAJ-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)CCC1CCCC1	1940254955	BZSZELZDPXCJMX-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CCNCCC1CCCCCC1	1941715724	UJFXIAKFKMOANH-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCN[C@@H]([C@@H](C)CCC(C)C)C(C)(CC)CC	1942654180	YCJSCEIPAJOULZ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H]([C@@H](C)CCC(C)C)C1(C)CCCC1	1942660407	LSDHRZSDKDUUOV-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](NC)[C@@H](C)CCC(C)C	1942664811	ULRBJZSUBOVILM-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)[C@H]1CCCC[C@H]1CC	1947460988	APCPPEDHPBGVRI-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2C=CCCC2)cc1	1947562763	RPCBBQZGMBSXGY-CQSZACIVSA-N	230.351	4.545	0	10	BJAE	
CCC(C)(CC)[C@]1(O)C[C@H]2CCCC[C@@]2(C)C1	1948596204	NQWNAUYQURSUPC-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CCC(C)=C(C)C	1949043923	RVPORRNDARJHDV-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CC[C@H](C2(N)CCCCCCCCC2)C1	1949450199	CTZUFUCJMLBWRQ-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CCCCC1CC1)CC1CCCC1	1949866701	NAADCBNBVRDHFX-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H](C)C2CCC2)CC1	1950925000	PMAPTNLMGPXAIX-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1ccsc1Cl	1959878676	KSPGXIHUMAKELC-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CCC1CCCCC1	1962912697	JRZHFNQYRUEORY-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CN(CCCCCC2CC2)c2ccccc21	1966266396	OHPPEUOEHSZOHG-CQSZACIVSA-N	243.394	4.581	0	10	BJAE	
C[C@H](CCC1CC1)Nc1cccc(C2(C)CC2)c1	1967833150	YODWCHBTUISKIK-CYBMUJFWSA-N	243.394	4.729	0	10	BJAE	
CCc1ccc(NC2CC(C)(C)C(C)(C)C2)cc1	1968314108	PFPOWSOSAQCTKY-UHFFFAOYSA-N	245.410	4.876	0	10	BJAE	
CCCc1ccc(N[C@H]2CCC[C@@H]2C(C)C)cc1	1968408757	YDOPFWCJOWKCCJ-SJORKVTESA-N	245.410	4.876	0	10	BJAE	
CC(C)C[C@H](C)CN1c2ccccc2CC[C@@H]1C	1968429168	ALDPNZYQGZSWGR-GJZGRUSLSA-N	245.410	4.510	0	10	BJAE	
CCCCCC[C@H](CC=C(C)C)NCCC	1981010769	PNEFBUGDMBWSEL-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CC(=Cc1cscc1Cl)c1cccc(N)c1	1983419593	JVQKIRPQHVMXTR-UHFFFAOYSA-N	249.766	4.544	0	10	BJAE	
C1=C[C@H](CC[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	1986157704	VPLRGPOMQSWHOA-JONQDZQNSA-N	218.384	4.949	0	10	BJAE	
CCCCC[C@H](N)[C@H]1CC[C@H](CCC)CC1	1989785886	SRLNBIMTMLSEQO-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)N(C)[C@@H](C)c1cccc(Cl)c1	1990820802	JIOARRPLTYGMBY-RYUDHWBXSA-N	239.790	4.521	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H](C)C(C)(C)CC	1990871166	PWSKHDIFBOFVJE-ZDUSSCGKSA-N	227.436	4.569	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC(C)(C)CC1=O	1993757278	CWUKBFKNAAKUCW-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1cc(C)cs1	1995211273	LMPHVPXJBBQIAM-LLVKDONJSA-N	238.396	4.846	0	10	BJAE	
CCCC1([C@@H](C[C@H](C)CC(C)C)NC)CCC1	2000332360	JFVGLDIKGFDBTB-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNCC)CC1CC(C)(C)C1	2000509055	LCORHURPKQZBGZ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1CCCCCC1(F)F	2000764446	MEGCAHWVXHQNFA-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@@H]1CCCC(C)(C)C1	2002980252	XHORWGGIZYULBL-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC[C@]1(CNC2CC2)CCCC(C)(C)C1	2002981031	GGSKWRDXZHNCTQ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CC1(C)CCCC1	2003185438	SEWGWWGNYVLIHF-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CC(C)=CC[C@@]1(O)CCCCC12CCCCC2	2004225316	CQTLPFRSYKZXBN-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1CC[C@H](CC)C1	2004234996	VXRKIWYASWESHW-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CNC1CCC2(CC1)CC2	2004706107	LSEQVYAAVIRBDM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](N[C@H](C)C1(C)CCC1)C1CCCCCC1	2004836916	ZMJKBHLMMDFHHQ-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H]1C[C@H](CCC(C)=C(C)C)CC[C@H]1C	2006955682	CEDAZZGBZSBRCG-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](NC)C(C)(C)C1CCCC1	2009628239	MUEMJFFRGLUXJW-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC2(CCN[C@H]2CCCC)C1	2009821116	WHDVHUMSPOTQMM-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@](C)(O)C1=CCC(C)(C)CC1	2010715375	TXODJCPWCSUHDW-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@](C)(N)C1=CC[C@@H](C(C)(C)C)CC1	2010727987	BCRNDDSCEZRHSJ-CJNGLKHVSA-N	237.431	4.523	0	10	BJAE	
CCCNC[C@](C)(CCC)CCC[C@H]1C[C@@H]1C	2011584756	VRZURJRPGAAJRI-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC[C@H]1C[C@@H](O)CC2(CCC2)C1	2012058214	GLBIEYHMYKRSBT-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](C[C@H](C)C(C)C)NC	2015278273	MQVYSPSLRAFZLG-XHSDSOJGSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@]2(O)CC[C@H](C)[C@@H](C)C2)CCC1	2015639002	BFNMJWVHNSLRIZ-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@]2(N)C[C@@H](C)CC[C@H]2C)CCC1	2015641288	CARBIHXTXMUMPB-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)C1(C)CCCC1	2016142638	AQBQNNREDYGSBL-LSDHHAIUSA-N	237.431	4.680	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC1(C(C)C)CCC1	2017116062	FRUOHNRPQNROGG-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cccc(C)c1F	2018138950	MOPJMLVYEINDJU-CYBMUJFWSA-N	237.362	4.905	0	10	BJAE	
CCCCC[C@H](CC)Nc1cccc(C)c1F	2018138951	MOPJMLVYEINDJU-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@@H]1CCCC[C@H]1C	2018189407	SUHWOFIDTDJMJN-OWCLPIDISA-N	239.447	4.856	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)CC1(CC)CC1	2018989899	IVVGPTXJBPMGHI-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CN(CC(C)C)c1ccccc1	2019285142	HVUNHMIONUVWNF-HNNXBMFYSA-N	233.399	4.585	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H]2CCCC(C)(C)C2=O)C1	2020396551	LMBLXSVCMMVPAU-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](CN)(C[C@H]1CCCC(C)(C)C1)C(C)C	2024089176	NJEAZKNPEYTPSR-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2024101849	NSFGJUDPSMVGLD-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CCCC1CCC1	2026165871	FOUSDACRTHKPCA-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC1	2027624954	LWTPPBFJBKYBSQ-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(F)c2cccc(N)c2)C1	2027939231	HUWSQERHTWPBCG-XJKCOSOUSA-N	249.373	4.670	0	10	BJAE	
CC1(c2ccccc2C(=O)C2CCCCC2)CC1	2028577607	OBHREWRYCNWKDK-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1ccccc1C1(C)CC1	2028603594	YIVOZKPGAOTEHF-CJNGLKHVSA-N	245.410	4.564	0	10	BJAE	
CCCC1([C@H](O)c2ccc(C3CC3)cc2)CCC1	2028609778	GOKUCYXLTNWVRE-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)CC1=CCCCC1	2028643107	GTGPQOYVLCAOKS-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C2(C)CC(C)C2)cc1	2029108338	OHLSBIJMOZDJHY-UIORMTCPSA-N	244.378	4.819	0	10	BJAE	
C1CCC(CC[C@@H](CNC2CC2)C2CCC2)CC1	2029214641	GYFNXTLTAROPBU-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@](C)(O)c1ccc(C2CCCC2)cc1	2031746546	QEKPPJWUYWNMAD-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CC(C)C1(CN[C@@]23CCCC[C@@H]2CCC3)CCC1	2031805868	UFPDUISDVHSBIF-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1C=CCCC1	2035555210	LMRMPJFNEKZQBI-HNNXBMFYSA-N	244.378	4.854	0	10	BJAE	
C1=C[C@H](CNc2cccc(C3CCC3)c2)CCC1	2035596266	APTNARBKTDFDIW-AWEZNQCLSA-N	241.378	4.722	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)c1cccc(C2CC2)c1	2036353064	WPXKINATBDZFKW-OCCSQVGLSA-N	242.362	4.573	0	10	BJAE	
Cc1cccc([C@H](C)N[C@H](C)[C@@H](C)CC(C)C)c1	2036385792	WGGBAAGOHORGAL-XHSDSOJGSA-N	247.426	4.716	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@H]2CCCC[C@H]2C)c1	2037143303	QQEVJRQCGWGDQO-XOKHGSTOSA-N	245.410	4.636	0	10	BJAE	
C[C@H](C[C@]1(N)C[C@H]2CCCC[C@]2(C)C1)C1CCC1	2037161255	YWQSPMFRMVWIKK-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1CCC=CCC1)CC1CCCCC1	2037207476	XKHQRULLIJCKPQ-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@H]1CCC2(CC2)C1	2038585115	AKXNQVGRHYILER-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](N)[C@H]2CCCC(C)(C)CC2)cc1	2039374756	HXPRSSJQFDBIMQ-HOCLYGCPSA-N	245.410	4.601	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCCCC1(C)C	2039451816	COFYRKPYVNOXFL-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@H](N[C@@H]2CCCC3(CCC3)C2)CCCCC1	2041290304	POJFNMOPSIYFQE-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)[C@H]1CC=CCC1	2042022559	SBBKYTDMZZKLJR-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H](C)C1)[C@@H]1CC=CCC1	2042024868	QACBMTWNBZMVJX-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](N[C@H](C)CC2=CCCCC2)[C@@H]1C	2043194924	QDDLSYDOPBTGQI-KLZNWCGWSA-N	249.442	4.680	0	10	BJAE	
CC(C)(CNC[C@H]1CCC=CCCC1)C1CCC1	2045316143	AZBAKHRQQRXGCT-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)C(CC)(CC)CC	2045798790	FSIBDYLMQWWBIY-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCC[C@@](C)(CCC1=CCCCC1)CNC1CC1	2045993057	OJLYBQHSKAYGTC-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@H]1CC12CCCC2	2047016509	PGZJBLUKVPPPDC-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@@H]3CCCCCC[C@H]32)CCC1	2047425520	VYNUHRAJOIZHNM-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
CC1(CC(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048368990	CQSMCAIMGYUEES-FOLVSLTJSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2048473313	NOPNKICRSPAOCE-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1OC1[C@H]2CCCCC[C@H]12	2049193344	YRMLQOVYSIALQK-GJZGRUSLSA-N	244.378	4.597	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)NC[C@]2(C)CC=CCC2)C1	2049542267	CHVAYALXMQIDAV-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@H]1CCC12CCCC2)[C@H]1CCC[C@@H](C)C1	2049544643	UXOHGPRTTTXJOC-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CC[C@@H]1CCCC2(CC2)C1)CC1CCCC1	2049857892	QHOUIWRCCHSIKK-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1C(=O)CC1CCC2(CC1)CC2	2049934195	UVWPKURDDVCGND-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
C[C@]1(C(=O)CC2CCC3(CC2)CC3)CC=CCC1	2049950524	IBNVZVYWBWUZFS-INIZCTEOSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](CC(C)(CC)CC)c1ccc(C)cc1	2050427483	BQPLWUJKFZGMNR-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
Cc1cccc([C@H](N)CC[C@@H]2C=CCCCC2)c1	2050448278	BOALTMLINMMWIZ-NVXWUHKLSA-N	243.394	4.521	0	10	BJAE	
CCN[C@H](CC1CCC1)[C@H]1CCCCC12CCC2	2053421105	QCWWRNRCELCYBX-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNc2ccc(CF)cc2)C1	2055668771	WSYJYUOVRXZGTK-UKRRQHHQSA-N	249.373	4.784	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H]1CCC[C@H]1C(C)C	2056881429	DZHXKWLCQXUBFC-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CCC[C@@H]3C[C@H]23)C1	2057362617	ZEXKSHBUKQJRSM-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@H](N)C2(C3CC3)CCCC2)CCCCC1	2057608230	DWHGEMVHSPTUQY-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)C2(C3CC3)CCCC2)C1	2057610023	VQNLHJLYSZDQPV-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)CC[C@H]1C[C@@H]1C=CCC1	2058986594	CIZWSWCXRVBEIT-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CC1)C1=CC[C@H](CC)CC1	2061083854	GCVCFKNFAMUVFC-GRDNDAEWSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@@]1(CNC(C)C)CCC[C@@H](CC)C1	2061562864	JFUOZKXCPCLQFY-IAGOWNOFSA-N	249.442	4.692	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)CC1CC(=C2CCC2)C1	2061696102	MCRKJXAXZYBTNX-JKSUJKDBSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](C1CC(=C2CCC2)C1)[C@H](C)CCC	2061733435	DTVMYSJYAPGOHF-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
CC(C)(CCC(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CC1	2063516505	PFBSFGZYDSRVLM-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(CN)(CC23CCC(CC2)C3)CC1	2065337746	OHFUQVLLEISGSP-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC(C)C(F)(F)CNc1ccc2ccccc2c1	2065636105	IYTCIHOPRRRMCA-UHFFFAOYSA-N	249.304	4.543	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)[C@H]1CCC1(C)C	2068240612	WVXUOBBSANJWBF-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068711222	QZWNJWWYMKQSMX-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@H]2CC23CCC3)Nc2ccccc21	2069170003	CSAKJYBHTJXRDH-RDBSUJKOSA-N	241.378	4.555	0	10	BJAE	
CN[C@@H](CC[C@@H]1CC12CCC2)CC1CCCCC1	2069183417	SLUMRJUZWYOAOS-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)[C@@]12CCCC[C@@H]1C2	2070394323	CYBQAAUFXYCVAR-HZMVEIRTSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)C1(C[C@](N)(C2CCC2)C2CC2)CCC1	2071957162	XJQYSMUVJRLWCI-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCN1CCC[C@@H]1C1CCCCCC1	2071968103	BKSFUMVFBZDOSN-RCAFFNEUSA-N	249.442	4.778	0	10	BJAE	
CCCNC[C@@]1(CC(C)=C(C)C)C[C@H]2CC[C@H]1C2	2072409030	WQEOCNCPTRVGHA-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](O)C(C)=C(C)C	2072439685	JLICLFYTFJOCTG-XKQJLSEDSA-N	246.394	4.534	0	10	BJAE	
CCC1CCC(C[C@@H]2CCC3(CCC3)NC2)CC1	2072819462	DEIUPFDZQHHCAN-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](N2CCCC23CCCCC3)CC[C@H]1C	2074800404	VLEDEWFHZIIKSI-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@H]2C2CCCC2)CCC1	2079481053	BBMIPZCXPFKGDW-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@H]1C[C@@H]1C1CCCC1	2079488794	VVPBVWIDPDLTSF-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1NCCCC1=CC1CC(C)(C)CC(C)(C)C1	2082985604	IHJWZTKEMZHIRM-CYBMUJFWSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1ccc(CC)cc1	2086045214	UUHKTNVCQBMXKR-PBHICJAKSA-N	248.410	4.889	0	10	BJAE	
c1ccc2cc(NCC3CC(=C4CC4)C3)ccc2c1	2125648231	FAHOFSUZZICMFL-UHFFFAOYSA-N	249.357	4.752	0	10	BJAE	
CCc1cscc1CC=Cc1ccccc1	2210661781	FJUAHHLMNKHZPG-UHFFFAOYSA-N	228.360	4.566	0	10	BJAE	
C[C@H]1CC[C@H]1CC(=O)C(C)(C)C1CCCCC1	2215054032	WQBYUODSWQDSEJ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(OCC2(C)CC(C)(C)C2)c1C	2215430658	KORYMUCDGUHZHL-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1(C)CC(C)(C)C1	2215438807	ZFMPQDVYVCQRNA-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](CN[C@H](C)CC)CC(C)(C)C(C)C	2217135742	JTKXZRZJXZKPFN-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1=O	2218335295	UZWZLMLKNWSPMN-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
N[C@H]1CCCCC[C@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218357713	SEBADABXJFICRF-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(CCC=Cc2ccccc2)cc1	2219078277	LQASEVBXYXYPJZ-UHFFFAOYSA-N	236.358	4.895	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C2(C)CC3(CCC3)C2)C1	2221003386	MQHREAZGAVOHMV-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CN(C[C@]1(C)CC=CCC1)[C@@H]1CCCC(C)(C)C1	2221597006	HFJODSXALODRFE-NVXWUHKLSA-N	249.442	4.633	0	10	BJAE	
CCCNC[C@]1([C@@H]2CC[C@@H](C)C2)CC=C(C)CC1	2221668455	PCCSQVICYVDCOC-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1CCC[C@@H](C(C)(C)C)C1	2222268209	SRWUMQXBDVHFKX-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
Cc1ccc([C@H](C)[C@@H](N)CCCC(C)(C)C)cc1	2223963566	JXAGQXPMIZIHMS-HOCLYGCPSA-N	247.426	4.642	0	10	BJAE	
c1ccc2c(CC3CC(=C4CCC4)C3)ccnc2c1	2227572626	LLBYLFBYJNCOTO-UHFFFAOYSA-N	249.357	4.668	0	10	BJAE	
CCC(C)(CC)C(=O)CCCC[C@@H]1C[C@H]1C	2243065672	GQLHYBSZFGZFGA-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](C)(O)C2CCCC2)C1	2246686047	BVICRTJPMBQDFC-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](CC2=CCCCC2)C1	2247498161	KSVZJRBRROMADO-CABCVRRESA-N	234.383	4.518	0	10	BJAE	
CCCC(C)(C)CNCCCCC[C@H]1C[C@H]1C	2248865250	HZWWZXOHSOYBHK-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNC(C)(C)C(C)(C)C	2248873225	URWZRYLCDSZUCB-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](C)CC1CCCCC1	2250379219	BUVQNYGASFJESA-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)[C@H]1CC[C@H]1C	2250516326	HOTVKJDTDZXTEC-XHSDSOJGSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C1CC(CC(C)(C)C)C1	2251535858	OVMRXEXWYYHSKN-MRFVTOPCSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)[C@@H]1CCCCC12CC2	2254543547	MDLZMFHIEVVMPB-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@H]2CCC23CCC3)CCC1	2255018625	PNWUMLFRKKGYOA-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)CC[C@H]1CCCC12CC2	2255315435	NFNCRBUCTSSERT-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc([C@@H](N)C[C@H](C)CC(C)C)cc1	2256293167	CKZMBNHHJBGOPW-PBHICJAKSA-N	247.426	4.711	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@@H]1CCC2(CC2)C1	2257238187	COZYCMAHZGNXOP-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NCCCCC[C@H]2C[C@H]2C)c(F)c1	2257330001	UAHHJOPYLCTYMR-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
CCCC1CC(Nc2cc(C3CC3)ccc2F)C1	2259128682	QBKDMPYWTWOVQH-UHFFFAOYSA-N	247.357	4.694	0	10	BJAE	
CCCc1ccccc1CC(=O)[C@@H](CC)CCC	2259437685	MLJYDSCXTPPDPE-AWEZNQCLSA-N	246.394	4.577	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1ccc(CC(C)C)cc1	2259438100	ODJXYUBXMPVMSH-WBVHZDCISA-N	248.410	4.745	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc2c(c1)CCCC2	2259439441	WDVNUOKWLAXOMC-ZDUSSCGKSA-N	244.378	4.574	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]23CCCC[C@@H]2CC3)C1=O	2260563942	CIAUQLLAZYPNMO-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
CCCCN(C[C@]12CCCC[C@H]1CC2)C1CCC1	2260564626	HIVBHGIKFCZQJY-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CC(C)CC1(C(=O)C[C@]23CCCC[C@@H]2CC3)CC1	2260570090	OKWUSFQEQHIWMH-GDBMZVCRSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@]1(C)C(=O)c1cccc(C2CCCC2)c1	2260726810	HCJBWIPIBKQNMC-SJCJKPOMSA-N	242.362	4.573	0	10	BJAE	
CC(C)=CCC=C(C)[C@@H]1CC(C)(C)CO[C@H]1C	2297624056	SJQNVWHNHXDMMZ-GJZGRUSLSA-N	236.399	4.740	0	10	BJAE	
CCC(CC)CC[C@@H](CC1CC(CC)C1)NC	2300675681	HIADWAYKHBTGAD-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301136504	XYZYZKGRRDRXCT-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)CC1CCCCCC1	2301240819	DGLZRZYSFRUVEY-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CNC)CC1CCCCCC1	2301247014	LUWJLELMGATMSC-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)CCC1=CCCCC1	2301929535	XGSPNZUXMKPIGN-CYBMUJFWSA-N	234.383	4.662	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@H]1CCC(C)(C)C1	2302713840	SGYAVHYRZDQNAD-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](O)CCCCC2CC2)C1	2302719278	AZZFXEYWKGKRID-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)C[C@H]1CCC(C)(C)C1	2302752396	DARSUUNZJASACH-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](CC)NC[C@@H]1CC[C@H]1C(C)(C)C	2303403003	HZHOJHBSZAQHCI-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(CCC(=O)C[C@H]2CC[C@H]2C(C)(C)C)CC1	2303508217	LOXBLERRHQHOBS-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C)CCCC[C@@H]1CCC(C)(C)C1	2304417144	AAXIDDUSBYZHOG-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)C1(C(=O)CC[C@@H]2CCC(C)(C)C2)CC1	2304417897	JRUFUHCADVVJBK-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H]1CCC[C@@H](C)CC1	2307891112	ABKKVWWBWITPOF-PMPSAXMXSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1C(C)=CCC[C@H]1C	2307926814	RGAAHMJBIIQVOY-QKPAOTATSA-N	237.431	4.523	0	10	BJAE	
N[C@@H](CC[C@H]1C[C@@H]2CC[C@H]1C2)CC1CCCCC1	2312933703	TWLRZNKIXZZEQP-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@H](F)c1cccc2c1NCC2	2316237586	HALQKJGDWFSLLA-HNNXBMFYSA-N	249.373	4.882	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@H](C)c1ccc(C)cc1	2316247261	BVABPLNRLZYDDG-RHSMWYFYSA-N	248.410	4.676	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2316507595	CIQWTHMKDJMMES-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CCC(C)=CCc1cc(C)cc(C(C)(C)C)c1O	2316532398	OUMRSKCASZBUAT-UHFFFAOYSA-N	246.394	4.897	0	10	BJAE	
C[C@H]1C[C@@]1(CNC1CCC1)CC1CCCCCC1	2317000319	BIDHDQSMQIUBOB-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317113782	BJHALWFBZCDKPL-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1ccc2c(c1)CCCC2	2317822445	BPXIFFVGCCTQOU-UONOGXRCSA-N	245.410	4.658	0	10	BJAE	
COC(C)(C)c1coc2c(C)ccc(C(C)C)c12	2318309980	XPVSUVCHDZPLCG-UHFFFAOYSA-N	246.350	4.746	0	10	BJAE	
CCCCC[C@H](CC)Nc1cc(C)c(O)c(C)c1	2318435549	QIHNHAZPAZEXAS-AWEZNQCLSA-N	249.398	4.780	0	10	BJAE	
C[C@@H](NCCCC1=CCCCC1)[C@H]1CCC1(C)C	2318508511	ACEAAQHZMZTSBX-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(CCCC2=CCCCC2)C1	2318546229	QJCNBPLRUGLSDB-HUUCEWRRSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CC[C@@H](CN)[C@@H](CCCC2=CCCCC2)C1	2318592915	NTMFDBRATFPLTH-PVAVHDDUSA-N	249.442	4.668	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CCC(C)(C)C2)C=CCC1	2319069423	YVQOPADSYVQXBB-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@@H]1CC[C@@H]1C1CC1	2319579464	UMUFPVABJAWLIM-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1OCC[C@@H]1CC[C@@H]1C1CC1	2319748604	KLSQOOHOFYZFJH-JKSUJKDBSA-N	244.378	4.509	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(N)CCCC23CCC3)CC1	2320388506	QQKYQPOZFNLIQN-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2ccc(CF)cc2)CC1	2320414810	UXMTVIQYXLUGQV-HNNXBMFYSA-N	247.357	4.705	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H]2[C@H]3CCCC[C@H]32)CC1	2320416809	NQPCUIYESLXTQB-MPTYRVRUSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1cccc([C@H](N)C2=CCCCCC2)c1	2320519340	WIZOEQZZSCIWSZ-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@](C)(N)[C@H]2CC23CCC3)C1	2321603490	SIAYRLKFNRINIT-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC2CCC3(CC2)C[C@H]3N)C1	2321607165	CYFLUIHGIKJFKI-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)CN(C)C[C@H](C)c1ccccc1	2328082379	BLSZRBMINCKYII-JKSUJKDBSA-N	247.426	4.548	0	10	BJAE	
CC(C)=CCC[C@@H](C)c1ccc(C)cc1O	1616758	BTXSROVNGICYFE-CYBMUJFWSA-N	218.340	4.551	0	10	BJAE	biogenic
Cc1ccc(F)c(N[C@H](C)c2ccccc2C)c1	20471690	QGJCGMCZRVVJSK-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCCC1CCC([C@@H](N)c2ccccc2)CC1	20565541	XZEFBHSXHVXHCD-PREGVCBESA-N	245.410	4.683	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H](C)CCC(C)C	20566226	WPSZBVYMJPTQTQ-SOUVJXGZSA-N	227.436	4.616	0	10	BJAE	
Cc1ccc(N[C@H](C)c2cc(C)ccc2C)cc1	21052929	KTQWDESJOWZBRM-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CCCC(CCC)Nc1ccccc1CC	21811341	NYCCCJPBGBVRLY-UHFFFAOYSA-N	219.372	4.630	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(C)c(C)c1	21816131	JHPWYJWQXSOSPM-WFASDCNBSA-N	233.399	4.930	0	10	BJAE	
CCC(=O)c1ccc(-c2cc(C)ccc2C)cc1	33466486	QSABIKBZOMLKTP-UHFFFAOYSA-N	238.330	4.563	0	10	BJAE	
CCN[C@H](c1ccc([C@@H](C)CC)cc1)C(C)(C)C	35544111	IDTHLZCUUUEFKK-XJKSGUPXSA-N	247.426	4.897	0	10	BJAE	
Cc1ccccc1OCc1ccc(C(C)C)cc1	70238304	GQWKBKOHTKEQAT-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC[C@H]2CC)cc1	70977644	CARJZGZRUMRVCL-ZBFHGGJFSA-N	231.383	4.630	0	10	BJAE	
CC(=O)[C@H](C)Cc1ccc(C2CCCCC2)cc1	82552046	RQBGJGDWGPZKHY-CYBMUJFWSA-N	244.378	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccc(Cl)cc2)CC1	83427110	UXMDWGMPOFDZAK-DGCLKSJQSA-N	237.774	4.721	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccccc2F)CC1	86893886	ULWBFBHACYYANT-STQMWFEESA-N	235.346	4.597	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCCCC(C)C)CC1	86944741	UIOOYSJBXSTMOD-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)CC(C)C	87522303	UOQRZMLHDHGZAU-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(C(=O)C2CCC(C(C)C)CC2)cc1	87960431	ODYAKARIKAUOGF-UHFFFAOYSA-N	244.378	4.640	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NC1CCC(C(C)C)CC1	88294200	HBNFMDKPTQMZMH-WXLSXGNJSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H]1CCC[C@H](C)C1	103940792	INKHJVSVPQZEKL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@@H](C)C1CCCCC1	103978856	XHIYXWPAZVFECK-IJEWVQPXSA-N	239.447	4.760	0	10	BJAE	
Cc1sc(N)c(-c2ccc(C(C)C)cc2)c1C	105555048	CRLKRHQFJBQYNZ-UHFFFAOYSA-N	245.391	4.738	0	10	BJAE	
C=C=C(c1ccccc1Cl)C(C)(C)C	106488986	IZLRZEVSIDXIJW-UHFFFAOYSA-N	206.716	4.554	0	10	BJAE	
CCC(CC)CNc1ccc(OCC(C)C)cc1	107692904	DXEXYGWOGUPRTR-UHFFFAOYSA-N	249.398	4.570	0	10	BJAE	
CCCOc1cc(C)ccc1N[C@H](C)[C@@H](C)CC	109909789	WPVXPOZUUQJJBL-UONOGXRCSA-N	249.398	4.630	0	10	BJAE	
CCCC[C@@H](CC)CC1(CNC)CCCCC1	110199890	OHHPRWRBHGDBNZ-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CC(C)c1ccc([C@H](C)NCCC(C)(C)C)cc1	112922400	IRVLHSPHXMMPOO-AWEZNQCLSA-N	247.426	4.897	0	10	BJAE	
CCC(CC)Cn1ccc2ccc(Cl)cc21	128885034	DOKWPGFSAPTCSX-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@@H](O)CC[C@@H]2C	136938112	LAOSMSGNWFMBJV-LRDDRELGSA-N	246.394	4.864	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC1CC1)NCCC	149186409	GWAGRPFDYSZVOL-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccc([C@@H](O)CC2=CCCCC2)cc1	161047242	OOWXYWDVWIKXIX-KRWDZBQOSA-N	244.378	4.563	0	10	BJAE	
CCN[C@H](c1ccccc1C1CCC1)[C@H](C)CC	169085311	KKSPGTROXQECHT-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
C[C@H](NCCCC1CCCCC1)c1ccccc1	224733299	IFXYMWZSTUDVJA-HNNXBMFYSA-N	245.410	4.698	0	10	BJAE	
CCC[C@H](CC[C@H]1CCC[C@@H](CC)C1)NCC	227172706	XNVGMYOTHXXXFD-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)(C)C)C(CC)CC	228692155	BNBPAMVRJYJBLR-DZGCQCFKSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(CC2CCCCC2)C1	231011291	KIDUSBSOBPLLDW-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@H](C)C(C)C)c2c1	232716693	SHRNINPGKOXWQJ-GFCCVEGCSA-N	215.340	4.544	0	10	BJAE	
CC1(C)CCC[C@](O)(C2=CCCCCC2)CC1	232817854	VROVHUFVVUUMCJ-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)Nc1ccc(C(C)(C)C)cn1	233875585	UKJJOBITJWDKKC-CHWSQXEVSA-N	248.414	4.616	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](CCC)CC[C@H]1N	250835537	USTGWWZAZQNSFS-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H](C)c1cc(C)c(C)cc1C	251960040	VOOINQDREJEUIQ-KNXALSJPSA-N	247.426	4.697	0	10	BJAE	
CC(C)CC12CCC(Br)(CC1)CC2	258595250	NPBSOPJVUBLMSZ-UHFFFAOYSA-N	245.204	4.520	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@H](C)C[C@@H]1C	300691624	XDFCFXQFVKNYGL-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CCC)NCCCC(C)(C)C	300795861	DBKIYJQEBMAIPE-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CCC(C)(C)C	300963106	YSGGMUJPVZVNJL-KBPBESRZSA-N	228.420	4.780	0	10	BJAE	
CC(C)Oc1cccc2c1ccn2C1CCCC1	301723295	XLPWCGRTYIZBOI-UHFFFAOYSA-N	243.350	4.544	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)c1ccoc1C	302242269	FRGPQOOEYGBCBW-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1coc2ccccc12	302360487	XPUNHSBTTOQOJH-CQSZACIVSA-N	245.366	4.649	0	10	BJAE	
CCc1ccc(N[C@@H]2CC(C)(C)C[C@H]2C)cc1C	302362919	YIBYBVSERIJKHN-CZUORRHYSA-N	245.410	4.794	0	10	BJAE	
C/C(=C/CCNC(C)C)CCC1CCCCC1	305918589	HHGXILIIXXWPMW-NVNXTCNLSA-N	237.431	4.681	0	10	BJAE	
CSc1c(Cl)cc(C)c2ccsc12	307103474	DONVZBRSLLJRAO-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CC(CC)CC)NC	308053775	OIEBUQANUVNCOD-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(O[C@H]2C=CCCCCC2)cc1C	310307315	SAOUIRUBUOMOEO-HNNXBMFYSA-N	230.351	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@H](Oc2ccc(C)c(C)c2)C1	310324709	YMLHOBAGKTUYBJ-CABCVRRESA-N	232.367	4.651	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1)C1(CCC)CC1	310726451	AWNNPMUNUUJIBM-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCNC[C@]1(CCC(C)C)CCC[C@@H](C)C1	317174037	LWLHVYUCXMFUJJ-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@H](C)[C@@H](C)CC	319547784	NIBJEVAXINFPKI-JONQDZQNSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(N)CC(C)(C)CC(C)(C)C1	319627076	NKQCDXKHJMJWMC-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@H](C)n1ccc2c(Cl)cccc21	319630787	PKYAEMTXFCYJLT-QWRGUYRKSA-N	235.758	4.902	0	10	BJAE	
CCC(CC)[C@@H](C)NCC/C=C\c1ccccc1	323889653	VGGQFXQFOZQZOZ-UZGISAJGSA-N	245.410	4.504	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H](C1CC1)C(C)(C)C	324230651	HASIUZMHDBYUKG-NWANDNLSSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](N[C@H](CCC)C1CCC1)C1CCC1	324648709	FMBXMQUXYBKLNF-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@H](NC1CCCCCCC1)C1CCC1	324716134	DFCWFDGLPVIYGO-INIZCTEOSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CCCCCC(C)C)C1	383091944	CGVDJYGRRUGMFT-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)c1cccs1	383140175	MGQDSMSRRGETDZ-CQSZACIVSA-N	240.412	4.562	0	10	BJAE	
CC[C@H]1CC[C@](CN)(CCCCCC(C)C)C1	383222968	FWUPPJBBSKYDCD-JKSUJKDBSA-N	239.447	4.748	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@@H](C)[C@@H](C)C1	383602656	ZWDGNURAPGFCJD-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H](C)c1ccccc1	384890637	LLXXLCUMMILNQN-HUUCEWRRSA-N	246.394	4.966	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@@H]1CCC[C@H](C)C1	385302959	VWBCSMPKNASIBM-SWLSCSKDSA-N	244.378	4.703	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccsc2Cl)[C@H](C)C1	387186543	FOPAXHHFEOBKCT-BBBLOLIVSA-N	243.803	4.638	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1CCCC(C)(C)CC1	388924641	SHSKDCMWAUBPTD-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](NCC2(C3CC3)CCC2)CC1	391467182	JHYJPGBAJGZSKZ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCCCCCC(C)C	394765549	PRSLNOWYIHLXLB-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H]1C[C@@H]1CC(C)C	395682575	SEOKCZDFXIBQMJ-XHSDSOJGSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C)c2sc(C(F)(F)F)cc2c1	396198660	NVNSPMDAWITENZ-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
COc1cc2scc(C(F)F)c2cc1Cl	396297945	XAWRHCZENDPNAZ-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1ccc2c(C(F)(F)F)csc2c1F	396300323	OZOKIGCMPIEINA-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1cc(F)c(C(F)(F)F)c2sccc12	396304065	VDJUXGLSSFFLQF-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCC[C@@](O)(CC1CCCCC1)[C@@H]1CC1(C)C	397592648	CLCQJOVOGVGLFT-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)CC(C)(C)C1CC1	405730167	LMZGHXVAWZPWDH-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C[C@H]1CCCCCC1=O)c1ccccc1	686741846	GXUFHZBZVKWHCA-CQSZACIVSA-N	244.378	4.504	0	10	BJAE	
CCC[C@@H](C)[C@H](N)C1CC(C)(C)CC(C)(C)C1	688347393	WBHXEIWINBUHTF-OCCSQVGLSA-N	239.447	4.602	0	10	BJAE	
C1CC[C@H]([C@@H]2CCC[C@@H]2CCCC2CCC2)NC1	688398385	LZSNTFVTIIZTSA-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc([C@@]2(O)CCC[C@H](C)CC2)c1	688939710	PTKIFZBQIQVSEG-WMLDXEAASA-N	246.394	4.598	0	10	BJAE	
CC(C)CNCC1(C2CCCCCC2)CC=CC1	690526671	VELLHOXMDNSXKC-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](N[C@@H](C)CC1CCCCC1)c1ccco1	694623945	ZKCOZCSIJTVQIF-DZGCQCFKSA-N	249.398	4.679	0	10	BJAE	
CC1(CNCC2CCC3(CC2)CC3)CCCCC1	695728189	GINCVRADGNHASK-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC[C@@H]1C1CC1	696106243	AOQZKCRLVHJTTB-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCN[C@H]2CCCC[C@H]2C2CC2)CC1	696111660	QTEHTMWRUMHBJF-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](CC(C)(C)CC)NC	696591535	FDNBWSLZAXCMIQ-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCCC(C)(C)CC1	697580125	RPCDWERSDUGZFB-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1cc2ccccc2s1	697760132	YIXLZVNCZVFBCV-CYBMUJFWSA-N	245.391	4.648	0	10	BJAE	
CCCc1ccccc1OCc1ccc(C)cc1	699493473	FYMBXZLCMVKBBG-UHFFFAOYSA-N	240.346	4.527	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CCCC[C@H]1C1CC1	704463209	NBEQWBVDZHYRCA-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H](O)[C@H](C)CC(C)(C)C)c1ccccc1	704750185	FIZMFVDVMWQUHW-IIAWOOMASA-N	248.410	4.613	0	10	BJAE	
C[C@H](CC(=O)c1ccc(Cl)o1)CC(C)(C)C	709213825	SJQZVGCBMQFOID-SECBINFHSA-N	242.746	4.578	0	10	BJAE	
CC[C@@H](C)CCNc1cccc(C2CCC2)c1	709659650	WPQPMUHUXWLYKY-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
CC(C)(C)CCC1(O)CCC(C2CCC2)CC1	710201641	ZERHBVHOHVONCI-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@@H](O)c1ccc(C2CC2)cc1)C(C)(C)C	710784834	GAVURZNDPZTXFL-BLLLJJGKSA-N	246.394	4.670	0	10	BJAE	
C[C@H](C[C@@H](N)C12CCC(CC1)C2)C1CCCCC1	710979845	OHIYLHRVQZECKD-FDVNEVKMSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CC(C)(C)CC[C@H]1C	713040384	AWCCUDYQVDFBOA-VNHYZAJKSA-N	239.447	4.616	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)[C@H](C)C1CCCCC1	713144465	CICTYNUFTSRVNY-HIFRSBDPSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)c1ccc(F)cc1	718523311	ABWPATFNGRTDKP-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1CC(C)(C)CC[C@H]1C	718593982	BFEXZPDYZTZQTL-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C[C@H](O)CCC(C)=C(C)C)C(C)(C)C	718624711	CVCIJAJZYKQEPN-HUUCEWRRSA-N	240.431	4.946	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C[C@H](C)c1ccccc1	718694228	SLFCXZRWVNXIOY-RDJZCZTQSA-N	246.394	4.678	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CCCC1CC1	720160092	UCKRZEUCTLBSTA-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](NCC)c1c(C)sc(C)c1C	722497544	AJCQKAHBHYKZFH-ZDUSSCGKSA-N	239.428	4.514	0	10	BJAE	
C[C@H](NCCCC(C)(C)C)[C@H]1CCC[C@@H](C)C1	1654741287	FAQZKVCEOFQLRP-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CCNCC[C@H](C)c1ccccc1	1659927407	CDDMZSGKFTXLOQ-HOTGVXAUSA-N	247.426	4.596	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@H]1CCC[C@H](C)C1	1876996703	ZRZBKSAEFVWRMJ-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCCCCc1cscc1C(F)F	1889494086	PUNFNMPTPCVWAP-UHFFFAOYSA-N	218.312	4.809	0	10	BJAE	
Cc1sccc1-c1cc(F)ccc1Cl	1889535833	PNRTWIJCBKPELQ-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](CC)CCC)s1	1900676080	PDMFBGKKXYNNMT-NSHDSACASA-N	238.396	4.710	0	10	BJAE	
CCC(CC)CC[C@H]1CC[C@@H](C)CCC1=O	1900715041	ZAKCLZTYZVTZMU-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
Cc1sccc1-c1cc(F)ccc1C(F)F	1901898253	PIMCSQLHEUYFAC-UHFFFAOYSA-N	242.265	4.800	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1CCC(C)(C)C1	1902292608	IIJNHISQZKPJBK-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@H](C)C[C@H]1C	1902390133	IMFKKJDTJPZXGX-DMDPSCGWSA-N	237.412	4.547	0	10	BJAE	
c1cc(-c2nc([C@H]3CC34CCC4)cs2)cs1	1903461018	KPNCUZVFESWMLH-SNVBAGLBSA-N	247.388	4.529	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@@H](C)CC[C@H]1CNC(C)C	1911842297	LKOOGKDXBZKQOX-BBWFWOEESA-N	249.442	4.559	0	10	BJAE	
CCC=CC[C@@H](CCC)c1cccc(O)c1	1911855001	OXOGFOZRMQQFMQ-CYBMUJFWSA-N	218.340	4.632	0	10	BJAE	
C=CC=CCC[C@@H](NC)[C@H](CCC)CC(C)C	1911979774	LVMQCDJVIFLHHZ-HZPDHXFCSA-N	237.431	4.559	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCC3(CCCCC3)C2)C1	1915886364	RENYSHYCDJBJCR-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@](N)(CC)c1cccc(C(C)C)c1	1920147417	OTKXRXRPZCMHPT-INIZCTEOSA-N	233.399	4.564	0	10	BJAE	
CCCCCC[C@@](C)(N)CCC1CCCC1	1920193425	JLIZJRIBIUOARF-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CC(C)C(C)(C)C[C@](N)(c1ccccc1)C(C)C	1920492369	WBMRSVDHHGFQQK-QGZVFWFLSA-N	247.426	4.569	0	10	BJAE	
CC1(C)C[C@H]1CC[C@](C)(O)CC1CCCCC1	1921560367	BECBDUXOYOFFIV-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@]1(CCC2CC2)CCCC12CCC2	1921610613	ARDGQDZTGQMZGU-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](O)CCC1CCCCC1	1923882129	OUZYPNJRADDROA-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1cc(C)ccc1Cl	1925509622	YUCMTGUFEBNYRQ-QMTHXVAHSA-N	240.774	4.508	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2C=CCCCC2)C1	1925946707	VSKAALZTQRMCEF-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CC(C)CCC[C@H](O)CCCCCC1CC1	1936409037	AQPTZPWIXLVPRW-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1CCC[C@H](C)CC1	1939898893	LVEWOCPGPVOGCU-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1ccc2sccc2c1	1941248189	LSWAHMYHWSADIB-ZFWWWQNUSA-N	248.391	4.617	0	10	BJAE	
CCC[C@H](C(=O)C[C@@H]1CCC[C@@H](C)C1)C(C)C	1941265609	XEYSVSRKJREXPB-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@H]1CCC[C@H](C)C1)C(C)C	1941265850	YVXUZZOUCRQEKF-KKUMJFAQSA-N	238.415	4.700	0	10	BJAE	
CCC1([C@H](O)CCCCCC2CC2)CCCC1	1941573897	ULNSXXWTRQPFHX-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@H](N)CCCC(C)(C)C)C1	1943048586	AAFBDMMEXRZMBD-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C(C)(C)C1CCCCC1	1944647200	UCFYKNPDOMJKTJ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)CCN[C@H]1CCCC2(CCCC2)C1	1946449312	JMGWQUKDAPHBOI-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCC1(O)C[C@@H]2CCCCC[C@H]2C1	1947842707	MAKUXQFTLUAGFL-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCCC1(C)CC1)CC(C)C	1948846173	DBBJPEBNURJNJN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1CC[C@H]2C[C@H]2C1	1949002762	WRMCAZDAWIEBLX-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CC1CC1)C[C@H](C)C1CCCCC1	1950111122	LOLMXPSCBOXWTG-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@]1(C)CCCCC1(F)F	1961398386	DWOPLUITGDXOBW-GFCCVEGCSA-N	216.315	4.948	0	10	BJAE	
CCCc1ccc(CNC(C)(C)CC(C)C)cc1	1963209968	NPYLRJQOYIHYSK-UHFFFAOYSA-N	247.426	4.553	0	10	BJAE	
C[C@H]1CCC[C@@H](NC2CC(C3CCCCC3)C2)C1	1965989663	NQPDKGMALKWULZ-MHABSNSOSA-N	249.442	4.514	0	10	BJAE	
CSc1cccc(N[C@H]2CC[C@@H]2CC(C)C)c1	1968261763	AGQXBZJVKLFPIJ-DOMZBBRYSA-N	249.423	4.645	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1csc(C(F)F)c1	1978582963	QAUHAKPJWAJQCB-JTQLQIEISA-N	248.338	4.545	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@]1(C)C=CCCC1	1980484182	JTCUDLSSOJMGKW-HNNXBMFYSA-N	222.372	4.518	0	10	BJAE	
CCC1(C[C@H](O)C(CC)(CC)CC)CCC1	1985600769	GUUINVSXROBHBG-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1(CCC)CCC1	1988432766	JVMCEMRZKAYCBM-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
Cc1cccc(C(=O)[C@@H](C)C(C)(C)C)c1Cl	1994173567	VKAUGTFPEJWNCT-SNVBAGLBSA-N	238.758	4.513	0	10	BJAE	
CC(C)CC[C@H](C)N(C)c1cccc(Cl)c1	1994359122	SEGTYALRHVNMRJ-LBPRGKRZSA-N	239.790	4.601	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1ccsc1C	1995253293	FTPXCVMUQBEDPZ-FZMZJTMJSA-N	240.412	4.696	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(O)C1CCC(C)CC1	1996547255	NIULFWKHKYWPML-BHDPWAOGSA-N	240.431	4.636	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC1C[C@H](C)C[C@@H](C)C1	1996612156	HKJCETBZJDEYLZ-UMVBOHGHSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)[C@]1(C)CC=CCC1	1997550103	DZPDMPSXZWNOFR-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@H]1CCCC[C@@H]1C	2000319234	HOZUBRAICDPSQM-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNCC(C)C)C[C@@H](C)CC	2000522039	AGVNIGIRPLBBOR-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCC(C)(C)CNC1CC2(CCCCCC2)C1	2000673753	ZCJDSKAXUADQLL-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C[C@@H]1CCC12CCC2	2001851956	QUKNGQRXUPCHEB-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC[C@@H]1CCCCCCCC1=O)C(F)F	2003071553	ZXKGMGKIFMIPSQ-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1[C@@H](NC2CCCCCCCC2)CC[C@H]1C	2003098895	IMMACNMUANGAQU-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
O=C1CCCCCC[C@@H]1CCC1CCCCC1	2003118841	SZPPJGFASUZORZ-OAHLLOKOSA-N	236.399	4.886	0	10	BJAE	
CCC1(C[C@H]2CCCCCCC[C@H]2O)CCC1	2003119444	VKMPJAWQPCHCAC-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
N[C@H](CC1=CCCCCC1)c1cccc(Cl)c1	2003672613	VMJYRSDHLDXHKL-OAHLLOKOSA-N	249.785	4.620	0	10	BJAE	
CCC1(CC)CCC(O)([C@H](C)CC(C)C)CC1	2004339180	MAZRNFSSKMINGM-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC23CC3)cc1Cl	2005536481	MXCOECKYSAWVLL-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1(C2CC2)CCCC1	2008471849	YPHUGMSWZZERCU-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@]1(O)CCCCC[C@@H]1C(C)C	2009587928	HTKJBCYHVQLAAJ-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCCCCC1CC(N[C@@H](CC)C2CCC2)C1	2009714861	WEHLZDVKYBIVDP-BCLQGDPASA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](C)c1cc(C2=CC[C@@H](C)CC2)cs1	2013608220	RSRCGBVGDURFBF-VXGBXAGGSA-N	249.423	4.622	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)C2(C)CCCC2)C1	2014339747	NOCNAKSQBKCNHB-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@]1(CNCCC)CCC1(C)C	2014845336	DVLBLUQTNLPLNK-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC(C(C)C)C(C)C)C1	2015385403	DNOYOYIPNNLXOQ-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CCCNCC1(C[C@H](C)C(C)C)CCCCC1	2015394061	KLLFRMTYMURFSU-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCC1(C[C@]2(N)CC(C)(C)C[C@H]2C)CCC1	2015644384	MOWPUWDBBFGJQC-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C(C)(C)CC)C1(C(C)(C)C)CCC1	2017132800	JOCQNGYHOACANM-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(CC1CC1)C[C@H]1CC[C@H](CC)CC1	2017652317	FMHSIKHZQGEGRL-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCCC[C@@H]2O)CC1	2017714270	DASPIYJYEVXHPX-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H]1CC[C@H](C)CC1	2017722391	PRZSDLBBESKPHY-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(CCC[C@H](N)C(C)(C)C)CC1	2017738367	UMYOJISOCGXYGP-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@H]1CC[C@H](CC)CC1	2017739571	UKSUKWQJWQFRJP-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1CC[C@H](C)CC1	2018134562	PUQBRERRUFUUKB-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CCCC1(C[C@@H]2CCCCCCCC2=O)CC1	2018926032	XJBXEZOHOMNKER-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
CN(CCC1CCCCC1)C1(C)CCCCC1	2019204726	YSSWSJHWPJFRQU-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)C1CC(CC(C)(C)C)C1	2019385739	PDVHVWLGKBBTFR-ZUJMUWTESA-N	239.447	4.568	0	10	BJAE	
CC[C@@H](C)[C@H](C)N(CCC(C)C)CCC(C)C	2019389157	NPUQJWKAINHARK-CVEARBPZSA-N	241.463	4.815	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)C1CCC1)C(C)(C)C	2019848561	FDXVPAXATUBKNZ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CNc1ccc2sccc2c1	2022479993	HJBYOBSHOTUUOA-OCCSQVGLSA-N	245.391	4.605	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H]1CC[C@H](CC)CC1	2022557385	NYTKXQWQVDGIKY-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCc1ccccc1-c1csc(C(C)(C)C)n1	2023032182	NJZCVUQZHHBXEW-UHFFFAOYSA-N	245.391	4.670	0	10	BJAE	
CCC1(C)CC(N)(C[C@@H]2CCCC(C)(C)C2)C1	2024094672	LXNCPLSCYHKIHW-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(C)CCCCCN2)C1	2024097912	YVFAOMFPUIIENE-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(C(=O)[C@@]2(C)CC=CCC2)c1Cl	2024361826	WHKAIJJAASDHAY-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
CCc1ccc([C@@H](N)CC2(C)CCCCC2)cc1	2027313986	LMWFLRYWCMCAPW-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CCC[C@H](NCCCC1(C)CC1)c1ccccc1	2027807745	KGFIIQNQQMEHQB-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CCC[C@H]2CC2(C)C)c1	2027843262	PDOOIUCKOOKDID-GOEBONIOSA-N	246.394	4.553	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)C(C)(C)C1CC1	2028101592	PUHURKJUGALMEY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C(=O)CCCc1ccccc1)C(C)C	2028255587	RGVWMKZOMBYAIQ-INIZCTEOSA-N	246.394	4.651	0	10	BJAE	
CCCN[C@@H](c1ccccc1C1CC1)C(C)(C)C	2028548772	GVSKJHYIEPRMDM-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
Cc1c(F)cccc1C(=O)CCCCCC1CC1	2028630814	JPLRLPKRZOOCSM-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC1(CN2CCCCC23CCCC3)CCCCC1	2032665032	CJVZLHFTQJPMLT-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CC[C@@H]1CCc2ccc([C@H](C)CC)cc2C(=O)C1	2034185491	YUKNVAKOGQAIMS-CHWSQXEVSA-N	244.378	4.745	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CC[C@H]3CCCC[C@H]32)c1	2034260320	DJXIORSNZUYGND-DAXOMENPSA-N	247.357	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)C1CCCCCC1	2035595577	YHIKFHKEIUPUIC-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
O=C(CCC1=CCCCC1)CC1CC2(CCC2)C1	2037981633	DPUVHWFEEQCYEU-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2CC23CCCCC3)C1	2039059112	ROMLKXXSHGRXGV-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@H](N)[C@]2(C)CC=CCC2)C1	2042019964	SPXGHULXQNTYRU-JZAWBGDQSA-N	249.442	4.523	0	10	BJAE	
CCCCc1ccc([C@H](O)CCC2CCC2)cc1	2042742864	NZOFITGNHPSLJW-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)C1CC(C(C)(C)C)C1	2043002984	RZBMAQNHIDZWDJ-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1N[C@@H](C)c1ccccc1	2043073537	KNQGTSUGQFAAMI-ZOBUZTSGSA-N	245.410	4.696	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@H]2CCCC3(CC3)C2)C1	2045450098	NQKMDHYUBUKWGX-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1CC1CCC2(CC1)CC2	2049847827	FANJSOJXFGHBKW-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@H]1CC1(C)C)[C@]1(C)C=CCCC1	2049997047	KWYNERMIVPTPDB-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(N[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2051600779	YMVOBQREDFPHGY-ZVTHOSHGSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C[C@H]1C=CCC1)C1(C)CCCCCCC1	2052501160	SCPBFEAQRXUHLW-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CNC[C@@]1(C[C@@H]2CC=CCC2)CCCCC1(C)C	2053397751	PGLYWTOEUVJKOJ-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)[C@@H]1CCCCC12CCC2	2053410285	DWIZWPGEQAFTSX-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(NC[C@H]2CCCCC23CC3)CC1	2053433689	JOSQEZNSPFTCGD-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)C=C2CCCCC2)C1	2056917259	QMJDTFRWKSXHKH-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
C/C=C/CCCC[C@@H](CNCC)c1ccccc1	2059247771	VBWPCYJJBJJQJW-RCFWFJCLSA-N	245.410	4.516	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)c1ccc(F)cc1	2059249700	JYRUMGREWNGHQJ-LLCTXKFZSA-N	249.373	4.613	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H]2CCCCC2(C)C)CC1	2061087719	HQPNILXJNGGHHT-KBMXLJTQSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@@H]2CCC[C@H](CC)C2)CC1	2061118663	JCROOEMWMHCQKQ-YALNPMBYSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063525142	RUYXOCHQIKGCQS-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CC1CC(NC2CC3(CCCC3)C2)C1	2067986021	GZVIWCYYQQTZBA-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C[C@H](C[C@@]23CCC[C@H]2C3)NC)CCC1	2069343400	ZJEYCDGIRBPDJW-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CCC)CCC1)c1ccco1	2069344681	NEBICNXFGLULOK-CQSZACIVSA-N	249.398	4.681	0	10	BJAE	
CCN[C@H](CC[C@H]1CC[C@H](C)CC1)c1ccco1	2072805321	BBNONWQDDMSNIM-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)Cc1ccccc1	2073340886	OGWNPHWWHSHWFV-RDJZCZTQSA-N	247.426	4.566	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@]23CCCC[C@H]2C3)CC1	2074094698	NDHGPFDODYZGOD-JKQORVJESA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@@H]1CCCC2(CC2)C1	2074642316	SQHOUCZNTQQVCE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)N(C)Cc1c(C)cc(C)cc1C	2074995454	ZHWTYKZUEUULFY-MRXNPFEDSA-N	247.426	4.622	0	10	BJAE	
CCCc1ccc([C@@H]2CCCC(C)(C)C2=O)cc1	2076441095	WIIQMNISAPBWDO-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNc1ccccc1C1CCC1	2077262425	UDTGBBWHAOPFGG-ZFWWWQNUSA-N	243.394	4.802	0	10	BJAE	
CCCCCc1ccc(-c2ccc(C)cc2N)o1	2077975713	LNRCYCYXSNOWOL-UHFFFAOYSA-N	243.350	4.570	0	10	BJAE	
CCCCCc1ccc([C@H](N)C2(C)CCCC2)o1	2077987440	UWPFJPANFWRQNT-HNNXBMFYSA-N	249.398	4.592	0	10	BJAE	
CC1(C)C[C@@](C)(CC[C@@H]2CC23CCCCC3)CN1	2078867759	RDSWSAZQLDALGK-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@H]2C[C@H]2C2CC2)CC1	2079324332	MYECDJMRUFIUSG-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](CC1CCC=CCC1)NCC	2079435479	OEDNYYCJDLGWCP-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H]1c2ccccc2NC[C@H]1C	2079668924	DFUQSPXNXKKLJJ-IXYNUQLISA-N	243.394	4.658	0	10	BJAE	
C/C=C/CCC[C@@H](N)[C@H]1C[C@@H]1C1CCCCCC1	2079792446	ALEACHQSXAAHTB-YEDUIURYSA-N	249.442	4.667	0	10	BJAE	
CCCC1(C(=O)C[C@H]2C[C@@H]2C2CCCCC2)CC1	2079867553	UYCSBWGTZKPNCH-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1CC(C2CC2)C1	2081781147	SDKKFBMXFJWNAB-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
C(CN1CCC[C@H]1C1CCCCCC1)=C1CCC1	2081803396	YINMJPPBDCHOOD-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCCC12CCC2	2081944601	LDKMABOQBCHLRI-OAHLLOKOSA-N	247.357	4.523	0	10	BJAE	
CCN[C@@H]1CC(C)(C)C[C@@H]1C[C@H]1C=CCCCC1	2082225108	MHPMSTNXUVEAHT-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(CN(C)[C@H](C)CC(C)(C)C)c1C	2082952237	IABKOTZWFREUET-CQSZACIVSA-N	247.426	4.560	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CC(C)(C)C2(C)C)CC1	2084335723	MUMWMUDBMXOMFI-CXAGYDPISA-N	249.442	4.523	0	10	BJAE	
CCC(F)(F)CCC/C=C/c1ccccc1	2210662309	MIZIKUSMDLLYJL-YRNVUSSQSA-N	224.294	4.915	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CCCCCCC1CC1	2213581334	VHYMOSAYUNNAHN-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CCCCC1CC1	2214565907	QTWDBQYWLCNLTN-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CC[C@@H]1C)NCCC	2214964970	ROMRSGPNAVTTKW-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@H]1CCCCCCCC[C@@H]1O	2214970903	QYSYEZYBOFZWGL-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCn1ccc2cccc(Cl)c21	2215347582	YAQNFWNGKFDKMR-YPMHNXCESA-N	247.769	4.731	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C2CCCCC2)C1	2216252759	MRIDNHVZHIZDMC-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
N[C@]1(CCCCC2CC2)CC[C@H]2CCCC[C@@H]2C1	2220030995	QWEARPFTDDVDBZ-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC1(CC2(CN)CCCCCC2)CC2(CCC2)C1	2221027075	CINJJWPGRZFCLB-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
C[C@H](CC1(C)CC(C)(C)C1)[C@H](O)c1ccccc1	2221035580	SGICFEZOUXPZRU-HIFRSBDPSA-N	246.394	4.573	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@]1(C)CC=C(C)CC1	2221622562	IHZMYSUOCAWWEV-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1ccc2occc2c1	2224197933	KPCPHJZIXMYSCK-AWEZNQCLSA-N	246.350	4.683	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCCC[C@H]2O)C1	2246728472	SJXNFFKIZRMCEG-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC)NCCCC[C@H]1C[C@@H]1C	2247121902	JACIUVHMXOBVOB-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
Cc1cscc1C(=O)CC[C@H]1CCCC12CC2	2247638297	WKYXPOPBVJWZQZ-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)c1csc(C2CC2)c1	2248074204	MXRYYVCRCSRSJM-NEPJUHHUSA-N	248.391	4.635	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@@H](CN)C1	2250469788	SPGYTXNROVFKDZ-ARFHVFGLSA-N	239.447	4.604	0	10	BJAE	
Cc1cc(C(=O)C[C@@]23CCC[C@H]2CC3)c(C)s1	2251163430	QLGBYSISPJGEFB-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@](C)(CN)C[C@@]12CCCC[C@@H]1CC2	2251221587	OFYKDVRKEOUCPV-PMPSAXMXSA-N	237.431	4.502	0	10	BJAE	
C[C@@H](C[C@@H]1CCC(C)(C)C1=O)C1CCCCC1	2251714380	WUYIGPMMNVVJCB-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
Cc1ccoc1C(=O)CC[C@@H]1CCCCC12CC2	2253816554	GETJTLVEAMCPBT-ZDUSSCGKSA-N	246.350	4.521	0	10	BJAE	
CC(C)C1(C(=O)CC[C@@H]2CCCCC23CC3)CC1	2253868620	UTMQYZHYXUARFT-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)[C@@H]1CC12CCCCC2	2254585180	MLHMRCCHNPJNHT-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCCC[C@H]2C[C@@H]2C)c1	2254586038	NWRLYAOPBILMLE-YQQAZPJKSA-N	245.410	4.520	0	10	BJAE	
C[C@H]1C[C@H]1CCCCN1CCCC12CCCCC2	2254588878	AYHUYNVYPDTSGZ-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](CN)[C@H](CC2=CCCCC2)C1	2255096881	NHEDFVCVIPBGMO-BRWVUGGUSA-N	249.442	4.524	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)[C@H]1CCC2(CC2)C1	2257238185	COZYCMAHZGNXOP-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccccc1C1CCC1	2259438727	YAIODKKGSPPWME-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CCC[C@H](CC)CNc1cc(C2CC2)ccc1F	2259472994	OPYRJLAVYLBJMP-LBPRGKRZSA-N	249.373	4.941	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1CC2	2260570563	PYRJJPPCHWXHGL-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](C[C@@H]2CC=CCC2)C1=O	2261437502	BHYNDWXYMOYVIE-KGLIPLIRSA-N	248.410	4.764	0	10	BJAE	
CCC[C@H](C)[C@@](O)(c1ccccc1)C1CCCC1	2263750692	RXBXIYVKWJYSKB-WMLDXEAASA-N	246.394	4.501	0	10	BJAE	
CCC[C@]1([C@H](C)CC2CCC2)CCCCCN1	2298858812	ROAOGLVPHNNAQU-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](O)(CC)C(CC1CC1)CC1CC1	2298861991	QCBXLASVGJNCNQ-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](CN[C@@H](C)CC)C1CC1	2300687771	GEZSHQVQAZTBAG-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](N)CC12CCC(CC1)C2	2300689102	UPPXNOOXDWYGTQ-PCKAHOCUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](N)(CCC(CC)CC)[C@@H]1CC1(C)C	2300701842	UIKOZQPPJUEEFA-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCNC[C@@]1(CCC(CC)CC)CC[C@@H](C)C1	2300703391	FPUGWDHGGPLWOU-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(=CCN[C@@H](C)C1CCC1)CCCC(C)C	2300866704	CCAOQMIKDOXLSU-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1C[C@H]1C1CCCCC1	2300874774	NUGYTJMZTBLZHC-LSDHHAIUSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)CCC(C)(F)F	2300903314	CODUQUHXRMKBIY-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CC=CC[C@H](NCC)C1(C)CCC(C)(C)CC1	2300904591	QMNKMFOMTDUPNW-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1C[C@H](CC2CCCCCC2)C[C@H](O)C1	2301237901	AVFJTYWGIRZCER-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CC2CCCCCC2)C(=O)C1	2301242525	TXNAVEZSOUNRRU-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)[C@@H](C)[C@@H](C)C(C)C	2301952476	JATMBDAJWAONBK-DZKIICNBSA-N	242.447	4.594	0	10	BJAE	
CCN(c1cccc(C)c1)[C@@H](C)[C@@H](C)C(C)C	2301968782	UAMTZFCIPXOBFV-GJZGRUSLSA-N	233.399	4.502	0	10	BJAE	
Cc1cscc1[C@H](N)CCCC1=CCCCC1	2302345719	WFQRFDRYYGNABK-OAHLLOKOSA-N	249.423	4.727	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCC2(N)CCCCC2)C1	2302566595	UVMPWUZESMXUOM-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CC1CCC(C[C@@H](N)CCCCC2CC2)CC1	2302568985	FEGWRWKNNWUOCR-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC=CCCNC(C)(C)C)C1	2302759883	CHRWXHZRVKPBRY-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCc1cscc1NC1C[C@H]2CCCC[C@@H]2C1	2302885402	ORPBVYYPORIUFJ-CHWSQXEVSA-N	249.423	4.691	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc(C)cc1C	2307763027	HYCKAJWYYASTKT-AWEZNQCLSA-N	232.367	4.703	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1(CC2CCC2)CC1	2307819059	ICAXYHXDUFZVIS-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@@H](CC)CCC	2307896469	UVXVHSAWJNXDLW-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCC[C@@H]1CCC[C@H]1C)c1ccccc1	2308259127	AFZHWHOHLSURST-VYDXJSESSA-N	245.410	4.554	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@@H]1C[C@@H](C)c2ccccc2N1	2311571056	DIOFBSCQSNKDGF-NYTXWWLZSA-N	243.394	4.657	0	10	BJAE	
C[C@@H](CC1CCC1)C1(N)CC(C2CCCCC2)C1	2313659011	DGPWQKWLDBQTNP-IGEOTXOUSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1ccc(C)c(CC)c1	2314712532	PNASHMSKPISSET-RHSMWYFYSA-N	248.410	4.807	0	10	BJAE	
CC(=CCC1(N)CCC=CCC1)CCCC(C)C	2316523491	VAIRXHYWZZOLJN-UHFFFAOYSA-N	249.442	4.977	0	10	BJAE	
CN[C@H](CC=C(C)CCCC(C)C)[C@@]12CC[C@H]1C2	2316578890	JWCRRXBAFDBIBB-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C)c1ccc(C)c(C2CCC(C)CC2)c1	2317101095	GTFIYIDZCGEUPC-BLZCZZARSA-N	245.410	4.569	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)[C@@H](C)C(C)C)cc1C	2317664643	MVKXLZQDXWBODJ-JYJNAYRXSA-N	247.426	4.635	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)CCCC1=CCCCC1	2318501662	BTEYYZOGWPKDMT-HZPDHXFCSA-N	248.410	4.908	0	10	BJAE	
CC[C@](N)(CCCC1=CCCCC1)[C@@H]1CC1(C)C	2318548058	IOBSPQNGECBJEM-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
C1=C(CCCN2CC[C@@H]3CCCC[C@@H]32)CCCC1	2318575872	JMSRMNPYDKBZFI-IRXDYDNUSA-N	247.426	4.532	0	10	BJAE	
CN(CCCC1=CCCCC1)CC1(C)CC=CC1	2318590021	WSNHQDORVIOMFR-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@]12CCCC[C@@H]1CC2	2318933881	QWHQXTHUOJBEIU-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(N[C@@H]2CCCC[C@@H]3C[C@H]32)ccc1C	2319251601	FXSAWBSUDIKDAM-DJIMGWMZSA-N	243.394	4.548	0	10	BJAE	
CC1=C(C)C[C@@H](NC2CCCCCCCC2)CC1	2320239506	DVGZVLBALLIZCK-KRWDZBQOSA-N	249.442	4.968	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(C[C@@H]2CCC(C)=C(C)C2)C1	2320327416	APYOJWNICWVYEK-ZACQAIPSSA-N	249.442	4.668	0	10	BJAE	
CC[C@@](C)(CNC1CC1)C[C@@H]1CCC(C)=C(C)C1	2320332009	UQUFXTGBPDNHJO-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1C[C@H]1CCC(C)=C(C)C1	2320396414	IECJSYLIKUXLOA-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(Cc1cccc(C(C)C)c1)C(C)(C)C	2320633036	GDQAEILRMAPSNL-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
CC(C)c1cccc(N[C@H]2C[C@@H]3CC[C@@H]3C2)c1F	2327802154	NEGHJGRUJSKKIS-CLLJXQQHSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccccc1C1CC1	2328271334	GUWZLYXUUZNZBM-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CC[C@H](Nc1c(F)cccc1F)c1ccccc1	20476256	FONFOAGLZTUOPJ-AWEZNQCLSA-N	247.288	4.528	0	10	BJAE	
CCC[C@@H](C)N[C@H]1CCC(C)(C)c2ccccc21	20525551	OYLJAHGFJJBOHW-CJNGLKHVSA-N	245.410	4.577	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1C(C)C)C1CC1	35494026	FOLUNLUPSUYOGC-QGZVFWFLSA-N	245.410	4.604	0	10	BJAE	
CCCCCNc1ccc2sccc2c1	36975626	JUYNOXWAZKRNBA-UHFFFAOYSA-N	219.353	4.503	0	10	BJAE	
CC(C)Oc1ccccc1NC1CCCCCC1	37126033	ZCLOPMKSNVFNIF-UHFFFAOYSA-N	247.382	4.609	0	10	BJAE	
Nc1cccc(-c2ccccc2)c1-c1ccccc1	39408466	IVTDTSPPDZBCHD-UHFFFAOYSA-N	245.325	4.603	0	10	BJAE	
Cc1ccc(C(C)C)cc1[C@@H](N)CC(C)(C)C	83262208	VAMIKHAKEWFWKH-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
Clc1cccc(Cl)c1NCC1CCCC1	83847747	BOXWGPXBTIQADV-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H]2CCCC(C)(C)C2)C1	85063941	DIEHEXQYIYBLNG-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC(Sc2ccc(N)c(C)c2)CC1	91939190	ZCNLRANZPOMPHR-UHFFFAOYSA-N	249.423	4.638	0	10	BJAE	
CC1(C)CCC[C@@H]1Nc1ccc2ccccc2c1	94304662	AIWWYSWAHDWHBV-INIZCTEOSA-N	239.362	4.830	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(CC)c(CC)c1	97469129	KXQJDLYXZPYHPG-QGZVFWFLSA-N	247.426	4.782	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](CC)c1ccc(CC)cc1	103974874	RYCVZAJSKDHUIL-PBHICJAKSA-N	247.426	4.868	0	10	BJAE	
Clc1cc(Cl)c2c(Cl)cccc2c1	111354934	AXNCYYJNXAOOJQ-UHFFFAOYSA-N	231.509	4.800	0	10	BJAE	
CC1CCC(c2ccc(C[C@@H](C)C#N)cc2)CC1	112973819	XDCWHNRKABLOSD-NPCAHTBFSA-N	241.378	4.682	0	10	BJAE	
CCCCC[C@H](N)C[C@@H](CC)CCCC	143422609	RTPWWZYEBIWIDH-KBPBESRZSA-N	213.409	4.501	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCC(C)(C)C[C@@H]1C	155864781	SFXUVZBPJHMTTJ-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)c2cccc(C)c2)C1	160200715	FNUQGIAVRHKKIW-ZMSDIMECSA-N	245.410	4.614	0	10	BJAE	
O[C@@H](c1ccccc1C1CCC1)C1CCCCC1	168743425	ZRNYQKBRNMRUTC-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2CCCCC2)C1	203537766	VXGGIVLWUIPQKP-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)c2cc(C)cc(C)c2)C1	226984772	NWGHLCVHYXUPRR-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CC2CCCCCC2)c1	229496186	MKMHCDGOSPOXPJ-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1CNc2ccc(Cl)cc21	232619115	DIVADFRSOLWYKL-GWCFXTLKSA-N	237.774	4.531	0	10	BJAE	
CC1(C)CCC(c2c[nH]c3ccc(F)cc23)CC1	232833274	TYDIVNGQYSCVED-UHFFFAOYSA-N	245.341	4.991	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)[C@@H](C)c1ccccc1	234043265	IWFRUKHYJPDESP-DZKIICNBSA-N	244.378	4.576	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	252811463	GUERZPZOMWJWMC-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@H]1CCC[C@H]1C	300287135	XEOUAJYAGTZUKI-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)CNc1cc(Cl)ccc1F	300900821	KXQGZXKIEXMCBA-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CC(C)(C)CCCC1(CN)CCCCCC1	300909093	RSKYELITAQFRQI-UHFFFAOYSA-N	225.420	4.502	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CCCC(C)(C)C)C1	302256365	DCDOHJGOIMLAQI-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCCCc1ccc([C@@H](O)CCC(C)(C)C)cc1	305910384	DINIEGLKZXOUMB-INIZCTEOSA-N	248.410	4.889	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@H](C)C(C)C	305924631	NABCYWGWIHFNBH-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)c1cc(C)cc(C)c1	307995374	ADRQJCVVVMDEQZ-NVXWUHKLSA-N	248.410	4.799	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@H](C)CC(C)C	308030428	NWBCULNEVQTUIT-BZUAXINKSA-N	242.447	4.882	0	10	BJAE	
CC(C)CC[C@@](O)(C[C@@H](C)CC(C)C)C1CC1	310133090	BDPPHQRVUBIRCQ-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(O[C@@H]2C=CCCCCC2)cc1C	310307316	SAOUIRUBUOMOEO-OAHLLOKOSA-N	230.351	4.571	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C)[C@H](C)CC(C)C	310962794	DYMIITSSEYOUHA-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@H]1CCCC12CCCCC2	312999959	APTURLDTSCPYDI-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)[C@@H](C)C(C)C	319386248	KMMNWGVDJZBSRA-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@@H](C)C[C@H]1C[C@@H](C)Nc2ccccc21	320056378	VPAHZUGBEXPBSP-MJBXVCDLSA-N	231.383	4.657	0	10	BJAE	
CCC1(C(=O)c2c(C)c(C)c(C)c(C)c2C)CC1	380790057	KTJDCOIJUAKSCG-UHFFFAOYSA-N	244.378	4.602	0	10	BJAE	
CCN[C@@H](CC)[C@@H](C)CC1CCC(C)(C)CC1	383896951	MYXKCPLUQNDSQI-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@H](C)c1ccccc1	384530681	DZAGUHCDYINQBI-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
CCCc1ccccc1[C@@H](NCC)C(CC)CC	384680818	UFLSGYDPGSELEU-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H](NCC(C)(C)C1CCC1)c1ccccc1	384914109	CPGGOLNNRNHWGF-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)C1CCCC1	387650486	KILWMCWTYGQIKZ-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@H](NCC)C1(CCC)CC1	390465162	FIQXCGPECBKICB-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H](c1ccc2sccc2c1)[C@H](C)CC	395330818	RDBWDQJRCBTVQE-IAQYHMDHSA-N	247.407	4.598	0	10	BJAE	
CSc1ccc2scc(C(F)F)c2c1F	396261096	ZXTWEHVQFPQMFO-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1ccc2c(C(F)(F)F)c(F)sc2c1	396294507	HWVISYBSVBKYNV-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1ccc2scc(C(F)(F)F)c2c1C	396308332	SBTOWDRDLZKGJC-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC(C)[C@@]1(C)C[C@@H]1Nc1ccc2ccccc2c1	397231719	RJFQASXBNKAXPE-DLBZAZTESA-N	239.362	4.686	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](O)CCC2CC2)cc1	400885382	ZECLNWTYPBUIDC-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CCC[C@H](CC)Nc1ccc2c(c1)CCCC2	404536167	ASTNZPKTAHEOGU-HNNXBMFYSA-N	231.383	4.556	0	10	BJAE	
CC(C)(CCC(=O)C1CCCCCC1)C1CC1	405885993	MQZPTUFPDUKPEA-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CCN[C@@H](C)c1csc(C)c1	686304869	HQLBJDOBYGPCDI-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CCC)NCCCC1CCC1	688367364	FCXLKNLWCMUBPS-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CCCC12CCCC2	695099259	OELSHXSZVKGFJA-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@H]1CCCC2(CC2)C1	695716628	LWFLLQLLJBNREO-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1N[C@H]1CCCC2(CC2)C1	695718944	XOUGMOKOHGRVDH-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@H](NC)c1ccccc1C(C)C	696156131	DSSOERGMYSERFK-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C1CCCCC1	696188582	XDMWEVRYWDMOIH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)c1ccsc1	696651742	LICOVYFSEQHOEY-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CC[C@@H]1CC[C@@](CCC(C)(C)CC)(CNC)C1	696802267	JWDMUTZANRVJDE-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@H](C)Nc1cc(C(C)(C)C)ccn1	699604682	FAZXPELXJSTDSX-STQMWFEESA-N	248.414	4.616	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCC[C@@H](C(C)C)CC1	701047625	ICMGAYDFNQUGFT-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC1(C[C@]2(N)CCCC23CCCCC3)CCCC1	704437358	YDNRQHMQMHOYPA-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@@H](C)C1CCCCC1	704936324	CXXYHSMCRPBOGX-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]([C@@H](C)CC(C)(C)C)C(C)(CC)CC	708299552	ZFDSQSVIIXTRGX-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](CNC(C)(C)C)C[C@H](C)CC(C)(C)C	709121175	DJUBFZDWGUIOPR-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
C[C@H](C[C@H](N)[C@H]1CCCC1(C)C)CC(C)(C)C	709123831	FHSRNUORYDNAGW-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
C[C@H](NCC1(C)CCCCC1)[C@@]12CCCC[C@@H]1C2	709151460	CVWYJMMQEHFEEX-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)NCCC1CCCCCC1	710260039	IUWQHBGUTJBYGZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CC(=O)CCCC1CC1)C(C)(C)C	711111977	BPRUGQHPKIXTPJ-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@]1(C)CC1(C)C	713131456	QSRPGKOMPBKGAT-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@H](CC1CCCCC1)NCCC	713687710	VNKXDPKFVSCGGO-KEGWNNHHSA-N	249.442	4.847	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1CC(C2CC2)C1	714400605	QIJBIOASBJMMGA-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)CNC1(C2CCC2)CCC1	717884878	NSRVDCCIIPPMKS-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)CC(C)(C)CC	718537517	HFAJAPORLGBCDL-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CC(C)=C(C)CCNc1c(F)cccc1Cl	718645908	XVNVFLWQZFHAAM-UHFFFAOYSA-N	241.737	4.637	0	10	BJAE	
CCC[C@@H]1C[C@@H]1N[C@@H](CC)CC1CCCCC1	720990949	ZFCBCBRPMHTOKK-PMPSAXMXSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CNCC1(C)CCC(C)(C)CC1	1178962087	BUZZVWOEQWQZTI-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](CSc1ccc(C)cc1)CC(F)F	1640720295	DZRZDWNQOZQBQS-LLVKDONJSA-N	244.350	4.769	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1cc(C)cc(F)c1	1650711861	HJTCWQSQXWOEQN-BBRMVZONSA-N	247.357	4.538	0	10	BJAE	
Cc1ccc(C)c(SCc2ccc(F)cc2)c1	1652454295	DGEJXEOKXVXVTA-UHFFFAOYSA-N	246.350	4.735	0	10	BJAE	
C=C/C=C/CCS[C@@H](C)c1ccccc1F	1656246838	SHAWFPZBMNDBOO-ITKZLYELSA-N	236.355	4.752	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCC(CC)CC	1900703016	LWUFDGDYJQAJIY-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)[C@@H](C)C(C)C	1901681958	JMQBMDYEIZRTCJ-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
CC(C)C(c1nc([C@H]2C[C@H]2C)cs1)C(C)C	1905256570	HBSZYBLUNVBYHU-MNOVXSKESA-N	237.412	4.662	0	10	BJAE	
CC[C@@H]1CC[C@H](c2nc([C@H]3C[C@H]3C)cs2)C1	1905264308	UGNBEKNGGWWXOH-WYUUTHIRSA-N	235.396	4.560	0	10	BJAE	
CCC[C@](O)(C[C@@H]1C[C@H]1C(C)(C)C)C(C)(C)C	1910697341	XMGBVHKMWVTRIG-ZENOOKHLSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)CCC2(CCCC2)C1	1916431404	RWVWHFURSLFGIM-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@](O)(CC)c1cccs1	1919942539	DDAFHGNGUZGLLX-AWEZNQCLSA-N	240.412	4.562	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C1CC(CC)C1	1921268012	DNXAGWQNHYCOLB-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H](C)C1CCCC1	1924099335	JSRFRZLYGJBQDZ-ZDUSSCGKSA-N	244.378	4.648	0	10	BJAE	
CCCCCC[C@](C)(CNCC)C1CCCC1	1924119898	UNICNZLPWPIBCH-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC1(C[C@@H](N)[C@@H](C)C2CCCCC2)CCC1	1924126616	RFQBJNIVZYDENB-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
O[C@H](CCC[C@@H]1C=CCCCC1)c1ccccc1	1925929219	DEJDNLUOVZSUPJ-NVXWUHKLSA-N	244.378	4.637	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCCCC12CCC2	1926159657	NNGORNKKNKSQBX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@](C)(O)CCC[C@H]1CC1(C)C	1935924962	RMFHUUGNDVVHEN-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)CC[C@H](C)C1(N)CCCCCCC1	1937167732	FCVUWFCHZQIGPK-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@](CC)(CN)CC1(C)CCCCC1	1940405364	HSGAXGBGEXWODX-INIZCTEOSA-N	239.447	4.892	0	10	BJAE	
C[C@@H](C[C@@H](C)c1cccc(N)c1)CC(C)(C)C	1940978352	DTWLFIQBPNJMDO-QWHCGFSZSA-N	233.399	4.835	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(O)CCCC12CCCC2	1942664670	UGPFEMJDTASEMM-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)C1CCC(C)(C)CC1	1942665294	XCBKDFWPYIMZBC-ZFWWWQNUSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H]1CCCCCC1(C)C	1942800753	GMIXBGBXOJTMOU-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)NC1(C2CCCCC2)CCC1	1945278514	KWHDMMOTEBHHCL-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@H]1CCC[C@H](C)C1	1947470666	VFWALWCXNHLVQA-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CC=CC[C@H](CC)c1ccc(OC)cc1CC	1951308760	NBVFXSOWIBEUTG-ZDUSSCGKSA-N	232.367	4.717	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1cc(Cl)cc(Cl)c1	1959209029	MXKOVLRNWRHTLR-PRHODGIISA-N	244.165	4.594	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2C[C@@H]3CCCC[C@H]3C2)CC1	1967703941	YOBLBDFLTDXECE-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
Clc1cccc(N[C@@H]2CCCC3(CCC3)C2)c1	1968260456	PVVLWFHZEVSTMP-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
CC[C@H](N[C@H]1CCCC2(CCC2)C1)C1CCCC1	1970931563	IBKHDXNSFRCHPG-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@](CC)(CC=C(C)C)CNCC	1978639937	TYAKFKFEZZBZKW-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CCCCCCNC1CCCCCCCC1	1980337244	RVSGOPFNJAMTRI-UHFFFAOYSA-N	225.420	4.659	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCCCCC1=O	1980350446	GUKNDJWDXYFUAF-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](N)c1cccs1	1980691816	HCFZIIRHLLZYQL-QWHCGFSZSA-N	239.428	4.745	0	10	BJAE	
CC=CCCCC[C@@H](NCCC)C(C)(C)C	1984632326	LKABOGQTCTYZEQ-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCCCC1CC(O)(CC(CC)CC)C1	1984692813	UTFZRQWGHMPLSP-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@@H]1CCC=CCCC1	1999978355	CRCBGTOKEOXQDM-CQSZACIVSA-N	236.399	4.764	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C1CCCCC1	1999983990	SBKQTNOVKBQFRR-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
Oc1cccc(SC[C@@H]2CCC=CCCC2)c1	1999999130	PEGBPQFAQDJROR-CYBMUJFWSA-N	248.391	4.621	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@H]1CCC=CCCC1	2000001555	NMZAEKJBYNWMIY-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)(CC)C(=O)C1C[C@@H](C)C[C@H](C)C1	2000215519	WPCYMQWDLCWBQZ-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)[C@@H]1CC1(C)C	2000518432	OEGXEYCISCCPCT-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(CO)CCCCCC2)C1	2000657595	YFNPJIHDKSSNTA-CABCVRRESA-N	238.415	4.536	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H]1[C@H]2CCCCC[C@H]21	2002202537	PRGKXJURHRIJKG-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CN(C)[C@H](C)C1CCC(C)CC1	2002968301	OKNDKSVBOZNSNX-SHARSMKWSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@H]1CCCC(C)(C)C1	2002990938	NQKDGLSTKTWETN-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(O)CCCC(C)(C)C)C1	2002999341	SIWVCCCAZRVQDK-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1CCCCCCC[C@H]1N	2003119254	UPXZAYLZNLTQFZ-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](N)CC1CCC2(CC1)CC2	2003213699	HSQDDKMZMMGHPO-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCC1(CC)CCC(O)(CC2CCCC2)CC1	2004339449	PBIIXVQVEYJSIJ-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1C=CCCC1(C)C	2006901083	KBVBKKZPUWVITO-SOUVJXGZSA-N	237.431	4.536	0	10	BJAE	
CC[C@H]1C(=O)CC[C@H]1CC1CCC(C)(C)CC1	2009239651	ZLYXEQJKQLVKAO-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1ccc(C(C)C)cc1	2009592778	NXMDHOKKDOCIPQ-DWTRPJMMSA-N	232.367	4.590	0	10	BJAE	
CC=CCCC[C@@H](NC)C1CCCCCCC1	2009593466	BEPTWSRUMAHUTO-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC=CCCCN[C@H]1CCCC[C@H]1C(C)(C)C	2011443888	KSPLJLNHNPRNGW-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCNC[C@](CC)(CC(C)(C)C(C)C)C(C)C	2012422796	ZRCSOXPNLOIYGR-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@](C)(O)C1(C)CCCC1	2014323428	BJJJBBICLIDYER-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)C[C@@H]1CCCCCCCC[C@@H]1O	2015274018	IKFVHHWCNVNICW-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(CCNCC(C)(C)C(C)C)C(C)C	2015360559	JKCHSBJERWTMEM-UHFFFAOYSA-N	241.463	4.577	0	10	BJAE	
CCCC1(C[C@@H](O)C[C@H](C)C(C)(C)C)CCC1	2015632945	FJZCZLIGQMAMNX-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C1CC=CC1)c1cccs1	2016325989	BMUWFPCJFQXQJB-GXTWGEPZSA-N	249.423	4.534	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CC[C@H]1C1CCC1	2017043923	QWADFUMDRVXDTG-ZFWWWQNUSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@](O)(CC1(C(C)C)CCC1)C1CCC1	2017115186	VINVTYRFBKWAMU-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(N)c1cccc2ccsc12	2017792672	CGNCROKPAGRSIO-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCC[C@@H]1CC	2018138766	KGVPWHPLNZMUQT-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)CC1(CC)CC1	2018973644	IQOHFIQTZBTDPN-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)CC1(CC)CC1	2018977694	XRNYXDPFOFXVKI-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)[C@@H](C)CCC(C)C	2019409113	MSNQAGKRWKCQIO-HOTGVXAUSA-N	241.463	4.958	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1C[C@H]1C1CCC1	2022314696	CGTUCSWGSKZYFT-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1C[C@@H]1CCC	2022389844	CPJUBVGREANZAL-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1C[C@H]1Cn1ccc2cc(Cl)ccc21	2022550644	XQIAJXOSIHGPKZ-AAEUAGOBSA-N	247.769	4.731	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@@H]1CCC(C)(C)C1	2026148341	WLULOEIAQVQLOW-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCC)[C@H](C)C(C)C	2026163860	OAZYCKDNJVDCSZ-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC1(CC)CC1)NC	2026164254	RGXDIYIAADQCPW-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
c1sc([C@@H]2CCCC23CC3)nc1C1CCCC1	2026607130	MHUKIQCQJMXTGP-LBPRGKRZSA-N	247.407	4.848	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NC)c1cccc(C)c1C	2028252482	OLBJFPXKPSJVJK-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CCN[C@@H](c1ccc(C)c(C)c1)[C@@H](CC)C(C)C	2028253343	VYQDMFCDKYAODL-IRXDYDNUSA-N	247.426	4.636	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1ccc(C2(C)CC2)cc1	2028608410	KCRGSIPJLIRZIY-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CC(CCC(C)C)=C1CCC[C@@H]1[C@@H]1CCCCN1	2029825594	NVHXAGIFUKPDTE-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(N[C@]23CCCC[C@@H]2CCC3)CC1	2031797876	HLHUKPJMAXAMOB-MYBQVCMBSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@H]1CC12CCC2	2032132687	RGRVEZZSHYFEHA-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CNCCC1=C[C@H](C)C1CCCCC1	2032536576	FYTVBSCVLMZFEK-YOEHRIQHSA-N	249.442	4.539	0	10	BJAE	
C1=C(CCNC2(C3CCCC3)CCC2)CCCC1	2033050032	FWLIGKSZWCLBGL-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC1(Nc2cc(C(C)(C)C)ccn2)CCCCC1	2033426884	DGFQEQUWMZODIP-UHFFFAOYSA-N	246.398	4.514	0	10	BJAE	
CC(C)(C)NCC1([C@H]2CC2(C)C)CCC=CCC1	2033635077	WVFSZVLZTXZPTD-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@H]21	2035405814	YJVBXPXXGLUISF-JZAWBGDQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCCCC12CCC2	2035926904	RQBSLHYXPHFMJE-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)C[C@@H](C)c1ccccc1	2037126755	JHNUOLLNJACZEB-GDBMZVCRSA-N	247.426	4.580	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC(C1CC1)C1CC1	2037189101	FXXXUXKHNZSYTM-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@@H]1CCC(C)(C)C1	2037705646	VQKVSJYIYSPEGJ-VBQJREDUSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc(CCC3CCCC3)[nH]c21	2038006592	GFHHSJQYYBJQGT-TXEJJXNPSA-N	246.398	4.533	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)CC1CC2(CCC2)C1	2038082403	DXEMJLHSJXJRAL-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(NC2C[C@H]3CCC[C@@H]3C2)ccc1C	2038621259	FOFJUCUOFOBPRO-HUUCEWRRSA-N	243.394	4.548	0	10	BJAE	
CCNC[C@@]1(CC2CCCC2)CC12CCCCC2	2038999525	LGGGUROISIJHOG-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)CC[C@H](N)C1CC2(C1)CC1(CCC1)C2	2039462705	WKFYKOGRWSZPBB-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@H](C)C1(C)CCCCC1)c1ccco1	2039853131	SZEQXFOHGBPBQQ-KGLIPLIRSA-N	249.398	4.679	0	10	BJAE	
Cc1ccc(N[C@@H](C)C23CCC(CC2)C3)c(F)c1	2039865488	PNKZUFRMCLORKS-FUJMWEONSA-N	247.357	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](C=Cc1ccccc1)NCC	2040725351	FXWWVXZDTBCWFB-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2ccccc2F)CC1	2041384795	WXGVSADZYQNKGW-CHWSQXEVSA-N	248.341	4.615	0	10	BJAE	
CC1(C)CCC(N)(C[C@H]2CCC=CCCC2)CC1	2045317616	NIGDVKGVWHNJKP-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
CNC[C@@H]1CCCC[C@H]1C[C@H]1CCC=CCCC1	2045329013	KJFBNOXSUSXCLA-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CCC[C@@H](C3CC3)C2)C1	2045400549	NKRYUZHBPANNCP-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C2C[C@@H](C)C[C@H](C)C2)C1	2045559815	FBDUZUHZGMMGQJ-MXAVVETBSA-N	248.410	4.620	0	10	BJAE	
CC[C@H]1C[C@H]1CNC1CCC2(CCCCC2)CC1	2045668563	SQTCPYBKFHEQMB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@@H]1CC(C)=C[C@@H](C)C1	2045697444	ZAQUVRZXTMLLGV-XOKHGSTOSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@@H]1CC12CCCCC2)c1ccc(N)cc1	2047021367	WINMUBUYHOALAS-UKRRQHHQSA-N	243.394	4.733	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CCCCCC[C@@H]32)C1	2047437864	OXHIJYWSOCLHJH-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CCC12CCC2	2047936049	NMMBFVIEWMKAJJ-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1[C@H]2CCCCC[C@H]12)CC1CCCC1	2048464575	WNTMUWCYMPGJSW-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@](CCC2CC2)(CNC2CC2)C1	2049493929	WWAFQFKZKNLTOY-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
O[C@H](CC1=CCCCC1)C[C@@H]1CCCC2(CC2)C1	2049818533	FIZZUVRFNGYJKF-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@H]2CCCC3(CC3)C2)[C@H](C)C1	2049860986	WAMSOWWHKGASRU-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@@H](O)CCC1CCC=CCC1	2050439758	CTCBMANZDIYFKP-KRWDZBQOSA-N	244.378	4.555	0	10	BJAE	
CCN[C@H](CCCCC(C)C)c1cccc(C)c1	2050456521	RICMPJIHDSNHOE-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCC1(C)CCC(Nc2c(C)cccc2F)CC1	2051589450	NRIMYVQHXSVMCI-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@H]1CCCCC12CC2	2053410035	CUTRIUUBOVTKGV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@@H]1CCCCC12CCC2	2053413870	ZHARKOSYQVLFPP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC1CC(C[C@H](N)[C@H]2CCCCC23CCC3)C1	2056650539	HSNQZFBLZBTPFZ-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@]1(C)CC=CCC1	2059183558	LRIGDNIENWKJLR-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2059206315	KVANUIVHVLPQPM-UZZNXUKWSA-N	248.410	4.908	0	10	BJAE	
CCCC1CC(NCC2(C)CCC3(CC2)CC3)C1	2059396199	WNPNBPMFMOFJGW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](NC)C2=CC[C@@H](C)CC2)C1	2060924561	FURUBMXQPXGPMM-JHNDHUHGSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](NC)C2=CC[C@@H](C(C)C)CC2)CC1	2061084456	JWZDXQDPGXPZRT-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CC(=C2CCC2)C1)[C@H](C)C(C)C	2061740877	DWCFWVHJTMBTPO-DYVFJYSZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H](CCC[C@@H]2C[C@H]2C)Nc2ccccc21	2062642925	STHKAFCKYHYAMB-TUVASFSCSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cccc(C(C)C)n1	2066354396	OAFNGLNTOIGLDP-AWEZNQCLSA-N	248.414	4.832	0	10	BJAE	
O[C@H](C1=CCCCCCC1)C1(CC2CCC2)CC1	2069565914	FEMDWFVFQUDLTG-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](CNc1cccc2c1CCCC2)C(C)C	2070270146	AMHYPVMHSWFQOJ-AWEZNQCLSA-N	245.410	4.660	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1ccc(C2CCC2)cc1	2071491782	XXCCVZPDHSTBAW-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
C[C@H]1CC[C@H](CNC2CC3(CCCCC3)C2)CC1	2072660245	DCNXGNOEOUZRAP-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)c1cc(C)ccc1C	2074641412	JNYPMAYHYQXHNW-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCC1CCC(N2CC[C@@]23CCC(C)(C)C3)CC1	2074866089	QOVNBIINWRWGGL-VMBOVVBDSA-N	249.442	4.610	0	10	BJAE	
CC(C)(C)C1CCC(N)([C@H]2C=CCCCC2)CC1	2075372264	FLTKQAGLNMYNLO-CKDBGZEDSA-N	249.442	4.667	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](O)CCC1=CCCCC1	2075714743	DANBMHJGBWGDSV-BHYGNILZSA-N	248.410	4.620	0	10	BJAE	
OC1(CCC2=CCCCC2)CC(C2CCCC2)C1	2075720263	HBLNWVXWZXFWTI-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]2C2CCCC2)CC1	2079486886	PDKAMYUERDBVKI-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@H]2CCC3(CC3)C2)C1	2082975790	LTAAKIWBJIUTBE-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@](O)(CCCCCCC2CC2)C1	2213581585	YLAVQGVKXONHJE-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1(C)CC(C)(C)C1	2215389093	VXFROAVKTZIYEG-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1(C)CC(C)(C)C1	2215393932	DZJWKTVAVGIYGP-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
O[C@H]1CCCCCCC[C@@H]1CCCCC(F)F	2216446808	IWVLGPWGZGUGJK-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
C[C@@H](C(=O)CCCCC(F)F)C1CCCCC1	2216504741	WTGINCBLYJITRL-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC1(CCC[C@H](N)[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218352115	UTQJRNRYKDUBBW-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C=CCC1	2218383233	RVCOJFBALLWTEA-WBTNSWJXSA-N	246.394	4.518	0	10	BJAE	
O=C(CCCCC1CC1)[C@]12CCCC[C@H]1CCC2	2220012968	KKHXRGRUUBHNAN-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CC(C)NC[C@@]1(CCCCC2CC2)CC=CCC1	2220028898	XDKMKUHBINGSRD-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](NC[C@]1(C)CC=C(C)CC1)C1CCC1	2221642326	DNNCDDFBQFEDNU-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)[C@]1(CNC2CCC2)CCCC12CC2	2223564012	XQPBKCAEDAKMFG-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(Cl)ccc1C[C@@H]1C=CCCC1	2243648664	ORUBZGOOZRILJW-GFCCVEGCSA-N	234.770	4.801	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cc(C(F)F)cs1	2244778925	BNTBLAKHKLLCBW-GZMMTYOYSA-N	248.338	4.545	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@H](CC)CCC	2244783997	MDOYBNNSZBAJGP-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(O)CCCC(C)(C)C1	2247126052	BPSUNXRMPRDRFV-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@H](N)CCCC[C@@H]2C[C@H]2C)CCC1	2247148476	JMIPVQSHAUZPCD-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCCC[C@@H]1C[C@H]1C	2247160119	RLTVREZNWUCBDU-QKPAOTATSA-N	240.431	4.780	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)c1csc(C2CC2)c1	2248074910	UYSZIZFMBHOPQZ-LBPRGKRZSA-N	248.391	4.635	0	10	BJAE	
CC(C)C[C@H](C)CNCC(C)(C(C)C)C(C)C	2248374106	RGBFASDJFWBJQY-HNNXBMFYSA-N	241.463	4.577	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCCCC1CC1)NCC	2250353980	ZNCPQFGCGMJMBH-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CC1(C(C)(C)C)CCC1	2250373113	SOBJRGRSCXPFNR-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCCCC[C@H]1C[C@@H]1C	2250407998	AIAAPVGDXJLBFE-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@]12CCCC[C@H]1CC2	2251218193	IKQIODGKHPRGJU-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCCCC12CC2)C1CC1	2253801028	BCTASADGRQVUNC-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCCCC12CC2)CC1CC1	2253812112	PECXERDMWZPJNB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@@H]1CCCC[C@@H]1C)CC2	2253852848	HPZPDIXXAGBYBS-MAZHCROVSA-N	243.394	4.548	0	10	BJAE	
CCC1([C@H](N)CC[C@H]2CCCCC23CC3)CCC1	2253875478	QZRMCMLKIBMHNH-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@@H]2CCC23CCC3)C1	2255017056	LHIDSDQMYNVYRY-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC12CCC2)[C@H]1CC1(C)C	2255018271	ZLOFDBCLPVRGLE-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CCCC1CC([C@@H](N)CC[C@H]2CCCC23CC3)C1	2255274976	DTOGQSZGLUGWIH-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)CC[C@@H]1CCCC12CC2	2255278442	NQDSTBUBLVWXGC-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCC1)CC[C@H]1CCCC12CC2	2255290669	IJQRDRUMSVEMGF-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H]2CCC[C@H]2C)cc1	2256252711	LRCZXBANNFJBNF-CZUORRHYSA-N	244.378	4.648	0	10	BJAE	
CCc1ccccc1OCCCCC[C@@H]1C[C@H]1C	2257248962	RBRYEOUIBRFDNW-GDBMZVCRSA-N	246.394	4.844	0	10	BJAE	
CC(C)CCCCCO[C@@H](C)c1cccc(N)c1	2257259894	HKZLOOUHQBQTAI-AWEZNQCLSA-N	249.398	4.563	0	10	BJAE	
CC(C)CC1(CNC2CCC=CCC2)CCCC1	2257917261	LRHPELPASSTPRH-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C[C@H](Nc1cccc(C(C)(C)C)c1)[C@@H]1CC1(C)C	2257961372	MALADCOQVLKDAJ-WFASDCNBSA-N	245.410	4.831	0	10	BJAE	
CC(C)=CC[C@@H](N)c1cccc(C2CCCC2)c1	2260669952	SZOOJNJOXRKHBJ-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CC[C@H](C)[C@](C)(O)c1cccc(C2CCCC2)c1	2260732052	UREIFQYEJVGESA-GUYCJALGSA-N	246.394	4.598	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccnc(C(C)(C)C)c1	2260746104	QTRIISJNSZRKGG-CYBMUJFWSA-N	248.414	4.760	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H]1CCNc2ccc(F)cc21	2261348367	LKDZICXZDLUMKX-UPJWGTAASA-N	247.357	4.551	0	10	BJAE	
CC1(CCC[C@@H]2CCNc3ccc(F)cc32)CC1	2261349164	SSNMOSMEUXKGOS-GFCCVEGCSA-N	247.357	4.695	0	10	BJAE	
CC(C)CC(=O)[C@@H](c1ccccc1)C1CCCC1	2263836832	JNONRSIVIMBPFC-KRWDZBQOSA-N	244.378	4.576	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H](C)CC1CCC1	2298913019	BOMBGBUNQKZGCS-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](CN[C@@H](C)CC)C(C)C	2300699857	IRBAKGKCACHJLI-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CCC(C)=CCNc1ccccc1C1(C)CC1	2300863694	RXNSSJMLQQUARV-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
CCCC1CCC(CN)(CC=C(C)CC)CC1	2300870504	VDCORPQNKFWULH-UHFFFAOYSA-N	237.431	4.668	0	10	BJAE	
CCC(C)=CCC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	2300874978	QEXYPKOUWZTNAF-CJNGLKHVSA-N	236.399	4.764	0	10	BJAE	
CC(=CCC(=O)C1(C)CCC1)CCCC(C)C	2300921336	OPQUQVSSXQTMHS-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CC(C)(C)[C@H]1C)CC(C)(C)C	2302165015	XBTACBPULVQDLL-FRRDWIJNSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@@H](C)N(C)CCCC1=CCCCC1	2302347240	PMEOKMNNBKQMOE-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)C[C@H]1CCC(C)(C)C1	2302751003	NWHVDCSWRPMWMM-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)c2sccc2C)CC1	2303518324	ACAGYVNHXDESPT-KBPBESRZSA-N	249.423	4.583	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)CC[C@H]1CCC(C)(C)C1	2304360015	PHQZHZFMIVWTKG-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CC[C@H]1CCC(C)(C)C1)CNC(C)C	2304428923	RMGXUIOBNUUJPY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2csc(C=O)c2)c1	2307516883	OEVAXKBUFGEQMB-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CCC[C@H]1CCC[C@H](NC[C@@]23CCC[C@@H]2C3)CC1	2308103807	JGUIMVKYIXJAGZ-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](C[C@H]1CCC=CCCC1)NC	2310970635	BQSMSANXZRWBMV-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)[C@@H]2C[C@H]2C2CCCCCC2)C1	2311526826	SBJGFIWIOBOQNQ-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2312440066	GWYDJSVUXANZTF-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@]23CCCC[C@@H]2CC3)C1	2313304764	BYIQSDUUZITTQI-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC1CCC1)C1(CNC2CC2)CCCCC1	2313589986	IFCNPVUKAMEJCT-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CN2CCC[C@H]3CCCC[C@H]32)CC1	2316883015	FJPZLIWMKCJHDO-IAGOWNOFSA-N	249.442	4.611	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1ccc(F)cc1C1CC1	2317066163	AYTLYDFITHTTOK-HNNXBMFYSA-N	249.373	4.529	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cc(C)c(OC)c(C)c1	2317366600	PMEBBLUKPKPFAR-ZDUSSCGKSA-N	249.398	4.549	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(C2CC2)c(C)n1	2318212723	FNIBFWHRZJEMRZ-AWEZNQCLSA-N	246.398	4.648	0	10	BJAE	
CCC[C@@H](NCCCC1=CCCCC1)C1CCC1	2318523258	DLGOQFIBLFYHPW-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCCCC1=CCCCC1	2318529595	RVRSBCTYBHFDBQ-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
O=C(CCCCC1CC1)C[C@@H]1CC12CCCCC2	2318878889	WNRHMWQGDMKFKE-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@H]1CC[C@@H]1C1CC1	2319582016	STTNJYDCPOQOOP-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCCC3(CC3)C2)CC1	2320339304	CPBBIDOHLODPTC-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@H](CC2=C[C@H](O)CC(C)(C)C2)CC1	2320409752	XTAKXKUXDAZIQN-ZBFHGGJFSA-N	248.410	4.620	0	10	BJAE	
CC(C)c1cccc(C[C@H]2CCCCC(=O)C2)c1	2320662697	GFJNAXMCZKOSFS-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CC(=CCCNC1CC1)CC[C@H]1CCC(C)(C)C1	2321650177	JFHARXYTLDMIID-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C1=C(CC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)COCC1	2328287455	QBZMSWZABZKATL-PVAVHDDUSA-N	248.410	4.720	0	10	BJAE	
CCCCN[C@@H](c1ccccc1)C1CCCCC1	21045441	PDTVYCMXFOEBIF-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CCCCCCN[C@H](C)c1ccc(C)c(C)c1	22150494	QYJLSOLMKFYIKN-OAHLLOKOSA-N	233.399	4.534	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC[C@H](C)C1	37117264	QFAIANLEWQPJGK-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1)C1CCCCC1	37535733	SFBRMGGKIKWXRJ-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccc(C)c(C)c1	70977610	NVEDIRRRWTYPLM-HOCLYGCPSA-N	231.383	4.684	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC[C@H]2CC)cc1	70977643	CARJZGZRUMRVCL-GDBMZVCRSA-N	231.383	4.630	0	10	BJAE	
CCCC1CCC(N)(C2CCC(C)CC2)CC1	85078195	LTGSAQLQMFSKST-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(F)cc1-c1c(C)cccc1Cl	85389112	FOASDOUXYVAYDB-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
CCCCCC[C@@]1(O)CCCC[C@@H]1C(C)(C)C	87164195	UGDAGZHNUHOUGA-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@H]1CCC[C@H](CC)C1	94676714	RPAXEEQEIVNCNV-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc([C@@H](N)C2(CC)CCCC2)cc1	94899657	XYHMSJYHPUIFPR-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@@H]1CCCC[C@@H]1C	109937691	VXDJJGDSZBLHEK-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](NCC1(C)CCCC1)c1ccccc1	111619855	OCRLDSJIPRRGNY-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
C[C@H](NCc1ccc(C(C)(C)C)cc1)C(C)(C)C	122469555	GTUPRZNMUBVKIO-ZDUSSCGKSA-N	247.426	4.508	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C[C@H](C)C(C)(C)C)cc1C	125399409	XBUKLMKVPPRALC-HOCLYGCPSA-N	248.410	4.718	0	10	BJAE	
C1CCC(C[C@@H](CNC2CC2)C2CCCC2)CC1	128295589	AQVPGKBSLKQVOJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCc1cccc([C@@H](NCC)C(C)(C)CC)c1	131589251	PDMIHVVDMMNAAW-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc(C)c([C@H](C)NCCCCC(C)C)c1	134296494	CZBYDOUOUUWFPS-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCCCCC[C@@]1(O)CC[C@@H](C)c2ccccc21	137030680	KWZSRXRQFOGHFG-RHSMWYFYSA-N	246.394	4.742	0	10	BJAE	
Clc1ccc(-c2cccc3occc23)cc1	149994068	OJRGHFNSSJHMCH-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
C[C@@H](N[C@H]1CCCC[C@H]1C)C1CCCCCC1	150047883	SBXWLWMHFAUQGT-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)CSc1ccc(O)c2ccccc12	156331457	WSJNYMULJWCULD-NSHDSACASA-N	246.375	4.684	0	10	BJAE	
CCC1(C(=O)C2C[C@H](C)C[C@@H](C)C2)CCCC1	166007539	AGRVVBZSEHFLNF-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc(C(C)(C)C)cc1	167177696	FVBBRVQLSZBDFR-LBPRGKRZSA-N	232.367	4.603	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)c1c(C)c(C)c(C)c(C)c1C	167221421	KQQFUPOQXNMVAH-QLJPJBMISA-N	247.426	4.665	0	10	BJAE	
CCCN[C@H](CCC)c1ccccc1C1CCC1	169033857	UKSHQWNSESYEMX-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(Cl)cc1Cl	205427647	KGWHDRASOQZBDW-JTQLQIEISA-N	246.181	4.984	0	10	BJAE	
CC(C)[C@H]1CCCC[C@H]1NCCC1=CCCCC1	214445056	LJQPEMSXSBJPHA-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CCC[C@@H](C(C)C)CC1	226537180	IPSFTFHRJKYLRY-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)C1(C)CCCC1	229151688	ROXJMSAFQJTHND-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCC[C@@H](C(C)C)C2)c1	230987655	DJOAVRATQPRMET-KGLIPLIRSA-N	249.373	4.761	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1CNc2ccc(Cl)cc21	232621423	DIVADFRSOLWYKL-GXFFZTMASA-N	237.774	4.531	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@H]1Nc1ccc(Cl)cc1	235546405	YPVWERJLLBDGPC-GWCFXTLKSA-N	237.774	4.577	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H](CC)[C@@H]1C)c1ccccc1	251537580	HGNNPRXAFBVHKY-NXNVCVFFSA-N	245.410	4.552	0	10	BJAE	
CCC[C@H](C)C[C@H]1C[C@H](C)Nc2ccccc21	300118201	ZKJNZTGWZQUQNR-IHRRRGAJSA-N	231.383	4.801	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1ccccc1Cl	300957550	QNFFUDCDKNYHEW-LLVKDONJSA-N	238.758	4.595	0	10	BJAE	
CCCOc1ccc(NC[C@H](C)CC(C)C)cc1	302414400	SZKAGUFZZKKYNI-CQSZACIVSA-N	249.398	4.570	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H](C)CC(C)C	302585200	SPSCQILQFRZOHT-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc([C@](C)(N)C[C@H](C)CC(C)C)cc1C	306016411	XODRFHKBJZVKQT-CXAGYDPISA-N	247.426	4.550	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](NC)c1cccc(C)c1C	308073065	SQPMKAYEBHTYJH-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
C/C(=C/C1CCC(C)(C)CC1)CNC(C)(C)C	310122945	IMABCPSMSUUCSE-QBFSEMIESA-N	237.431	4.537	0	10	BJAE	
Cc1cc(CNc2ccccc2C(C)C)cs1	310258085	FVJDWUFQFCKOPL-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CCCCC[C@H](CC1CCC(C)(C)CC1)NC	310397474	JZEODYPZOJRKHH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@]1(CCCC(C)C)CC[C@@H](C)C1	319094169	DBMGUMOFWPRBQR-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)C(=O)CCCC/C=C\c1ccccc1	324087546	BDBMIUPVSPCVLB-XFFZJAGNSA-N	244.378	4.875	0	10	BJAE	
CC[C@H](N[C@H](C)c1ccc(C)c(C)c1)C1CCC1	324930295	NKGLKWGBMURRQM-PBHICJAKSA-N	245.410	4.533	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)CC1(CC)CCC1	381291685	XMQAPBJKRMRLCG-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
Cc1cc([C@H](N)CCCCCC(C)C)cs1	383165003	JTAJPRJTSPHINR-CQSZACIVSA-N	239.428	4.663	0	10	BJAE	
CN[C@H](CCCCCC(C)C)c1ccsc1	383213893	CQOBSACAZQXYOD-CQSZACIVSA-N	239.428	4.615	0	10	BJAE	
Cc1cccc(-c2nc(C(C)(C)C)sc2C)c1	383661994	LVMJGYKZTTVQGD-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
C[C@H](CNC(C)(C)C)C[C@H](C)C1CCCCC1	383990840	LOGNTFWMUZNSSU-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc([C@H](C)N[C@@H]2CCCCC[C@H]2C)c1	384456852	QGWUQMQWKJSYBK-HLLBOEOZSA-N	245.410	4.614	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CCCC(C)(C)C	385100435	ZORJPSCTZVPEJG-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
C[C@H](NCCC1=CCCCC1)C1CCCCCC1	385190063	OILVVOVMOTWQLA-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](CCC2=CCCCC2)NC)C1	385219992	RMRDJZHPRAKXDX-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@@H]2C=CCCCCC2)c1	394148043	FSWOGHJHYHUWPZ-NVXWUHKLSA-N	243.394	4.535	0	10	BJAE	
CC1(CN[C@H]2CC3CCC2CC3)CCCCCC1	394647268	XMCMXFGKIVLXBO-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1NCCCCCC(C)C	394765792	PZGLIFXDFCOJSW-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CC1(C)CC(Nc2ccc3sccc3c2)C1	395300356	QNPKGWVMSVMYFR-UHFFFAOYSA-N	231.364	4.502	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC12CCCCC2	395643583	MBZMXLWMEQKZSL-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCc1cc(SC)c2ccsc2c1CC	396176568	GEMKEHIYGMZVBU-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cc2c(CC)ccc(CC)c2s1	396207954	SGCYPTNZJDQWDE-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CCc1cc2cc(C(F)F)sc2cc1S	396245582	OZIAGGAGNMJBRI-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CC[C@]1(C)C[C@@H]1N[C@@H](C)c1ccc(C(C)C)cc1	397244784	AJCKISLUQRCWNN-RRQGHBQHSA-N	245.410	4.649	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)[C@@H]2CC2(C)C)c1	397579903	HGFGBVZXIFBWPK-WFASDCNBSA-N	231.383	4.657	0	10	BJAE	
CCN[C@H](c1ccc(C)c(C)c1)[C@H](C)C(C)(C)C	399174231	MJMSULUIGNQZQW-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
Cc1cc(Cl)ccc1OC1CCCCCC1	400860430	MYXGMCOCBLQRIA-UHFFFAOYSA-N	238.758	4.750	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)c1ccsc1	402128839	DZNSBYUIDGSDNL-DZGCQCFKSA-N	249.423	4.535	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC)(C[C@H]2CC=CCC2)C1	402160674	RRZAPPZYALZSSM-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)c1cccc(C(C)C)c1	688931173	RQGUKAQJPDQDOW-HZPDHXFCSA-N	244.378	4.675	0	10	BJAE	
CCc1cc(NC2CCCCCCC2)ccc1F	690101537	DGOPYYOUZXCOOR-UHFFFAOYSA-N	249.373	4.913	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CC3CCC2CC3)CCCCC1	691776290	ZJHZWDLOMYBHPK-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1ccc2sccc2c1	691863740	CNXUTKINYZZLCZ-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CCCC1CCC([C@H](CC2CC=CC2)NC)CC1	692060889	QOIGZHPIJHICDS-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)c1ccc(C)cc1C	696248689	KTFHDAIDWISVDR-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)[C@H]1CC[C@@H](C3)C1	697725858	UNRMQABIPUECGX-YPMHNXCESA-N	239.362	4.731	0	10	BJAE	
CC(C)=CCC[C@H](N)c1cccc(C(C)(C)C)c1	697830695	ZOJURUIXZSHSPT-INIZCTEOSA-N	245.410	4.730	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)C(C)(CC)CC	701089640	GEHOVGANPRIWET-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCCNCC[C@H]1CCC[C@@H](C)C1	703953800	FNGAGAHVKYGQNG-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCCc1cccc([C@@H](O)[C@H](C)CC(C)(C)C)c1	704687267	WHRLEIAIWCDJLE-CJNGLKHVSA-N	248.410	4.745	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H]1CCCC[C@H]1C	704825109	SRPUVQBSYBHVTQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C2CCC2)C2CC2)cc1	707877343	KWWRHFYCPXUAEW-KRWDZBQOSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc([C@](C)(O)C[C@@H](C)CC(C)(C)C)cc1	709071220	NLICXQIRMLPJFY-WMLDXEAASA-N	248.410	4.665	0	10	BJAE	
CCCNCC/C=C(\C)C[C@@H](C)CC(C)(C)C	709089369	SUUPOIFIGYFTKW-AAWPKVBNSA-N	239.447	4.785	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2CC3CCC2CC3)CCCC1	709435857	OPVRIFIKWPIBAP-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@@H](C)C(C)(C)C)c1ccccc1	710759166	FAZAZBJHSGAGTM-PBHICJAKSA-N	247.426	4.713	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCCCC[C@H]1C(C)C	713263048	GVKIHIBEGZBLBV-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
C/C=C/C[C@@H](C)c1c(F)cccc1Cl	714554429	GUDBRFZHMYDGIF-CDAZIORVSA-N	212.695	4.549	0	10	BJAE	
CSc1ccc(NCCC(C)=C(C)C)cc1	718622604	JJJDFSSYCJFCAI-UHFFFAOYSA-N	235.396	4.567	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CNC2CC2)CCC[C@H]1C	718779429	MSEIYRFZSPRMAO-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)CC1CCCC1	720358499	MPQQZRGDANZHOU-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@H](C)CC(C)C	720358996	OEUKGESWNPJUQG-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC1(C)CCC(NCC2CCC=CCC2)CC1	1207638195	AEMRLEALYLPXRX-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CCC(CN[C@@H]2C=CCCC2)CC1	1620844589	ZTDHYLXNRQXGAR-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H](C)CCC	1900857887	KOOFLJOVBQSFDT-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCc1cscc1NC[C@H]1CCC(C)(C)C1	1902383008	ZQXCKVYOAOOVSA-NSHDSACASA-N	237.412	4.549	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@H](C)CC(C)(C)C	1905454549	SLZDJYWUIWKELZ-HZSPNIEDSA-N	228.420	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)CCC1CCCCC1	1908577548	KECFMWVVGHLBBY-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC(=C[C@@H]1CC2CCC1CC2)CNC(C)(C)C	1911929502	DCZTZXKRMAYNOW-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC)c1ccc([C@@H]2CC2(C)C)cc1	1916482987	AZXQGSSYFPFQRC-HOTGVXAUSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@H](C)CC(C)C	1919947458	JZKDZBVTLFOBLX-ZNMIVQPWSA-N	228.420	4.636	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1CC[C@@H](C)[C@@H](C)C1	1920182694	MEDIRDZRTNNKCT-QXSJWSMHSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC12CCC2	1921499733	RYTGXMVLLKZPPE-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CC)Cn1ccnc1C1CCCC1	1923587186	MZEDXYGCLFYAMA-AWEZNQCLSA-N	248.414	4.757	0	10	BJAE	
C1=C[C@H](Cc2cccc(OC3CC3)c2)CCCC1	1925829472	HHGUKMWWRVWHLY-AWEZNQCLSA-N	242.362	4.517	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cccc2sccc12	1926375944	JLFVZDJUJQNMTE-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1ccc(Cl)cc1	1937161827	NZIVIPRNORDAPD-LLVKDONJSA-N	238.758	4.595	0	10	BJAE	
C[C@H](C[C@@H](N)CC[C@@H]1CC1(C)C)CC(C)(C)C	1940859493	QEHFZKXQTRCEOT-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CCC[C@H]1CC1(C)C)c1ccc(N)cc1	1940972474	BJAFWOCZGAPKEO-OCCSQVGLSA-N	231.383	4.589	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@@H](C)CCC(C)C	1942663230	YVWLLUYJWRBESX-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@@H](C)CCC(C)C	1942665140	VVLWFQBTRSAGTC-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(C2(C)CC2)cc1	1944597516	AFHQXMIBGYWENJ-AWEZNQCLSA-N	231.383	4.729	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)C(C)(C)C1CCCC1	1944639501	FZFSCTDVKKGGHA-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@@H]1CCC[C@@H]1C)C(C)C	1944799121	JEPKOKLKYJJEAB-KKUMJFAQSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CC)CNC(C)(C)C1CCCC1	1945374604	NIHKWSYEGDCBIZ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)NCC(C)(C)C1CCCCC1	1946160366	LNLVCVDZTGUBTM-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C)CC1CCC(C(C)(C)C)CC1	1947372748	YKOXUGOVWMQIGM-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCC[C@H]1CCC)C1CCC1	1947461999	MZHPNDXNEKHCEL-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCC23CCC3)cc1	1949323354	ZKWKBMLKCJDKHS-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CC(C)CCCCCCN[C@H]1CCC12CCC2	1949323988	ICDKBPXDMFUMPR-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CC1CCCC1)C[C@@H](C)CCC(C)C	1949864026	IQTZFMWRAIPCJW-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C)c1ccc(C2=CC[C@@H](C)CC2)s1	1950561197	STYODZDCFVEXJG-VXGBXAGGSA-N	249.423	4.622	0	10	BJAE	
CC[C@H](C)c1csc(-c2cc(C)cs2)n1	1958190954	MGGYZAWCQCIVDB-VIFPVBQESA-N	237.393	4.694	0	10	BJAE	
CCCc1ccc(CN[C@@H](C)C(CC)CC)cc1	1963209556	DNNKOWIGYBQINV-AWEZNQCLSA-N	247.426	4.553	0	10	BJAE	
C1CCC(CCCN[C@H]2C[C@@H]3CCCC[C@@H]3C2)C1	1965872161	YFVUBUJMWPBFHN-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(CN2CCCCC23CCC3)CC1	1966231868	HTKFTSXTRMLCRK-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(OCC2CCC3(CC2)CC3)c(C)c1	1968397009	UCVFCASAOQSKBV-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CCCC[C@@H](C)NCc1ccccc1C(C)(C)C	1968586313	SXVYOWBMUHKEMV-CQSZACIVSA-N	247.426	4.652	0	10	BJAE	
CCCC[C@](C)(CN)C[C@H](C)CC(C)(C)C	1978639686	RWBNCSUGCMIQFE-HIFRSBDPSA-N	227.436	4.604	0	10	BJAE	
CC[C@H](Nc1cscc1C)c1occc1C	1986209312	RCVDDGUDCMKOPZ-NSHDSACASA-N	235.352	4.521	0	10	BJAE	
CC1(C)CC[C@@H]1c1cc2cccc(Cl)c2[nH]1	1994130424	KUQJVYJAJCXPQZ-SNVBAGLBSA-N	233.742	4.725	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@H]2CCC[C@@H](C)CC2)C1	1996235186	JILNAFDMMCWQRS-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](N)CC2CCCCCC2)C1	1996248528	WAMCPSONHAGDTE-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)C1CCC(C)CC1	1996546206	HRDSNFUVTFHHKI-FUUBYGMNSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@H]1CC[C@@H](C)C1	2000504847	LSAZVXFDMDMXCY-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CCC1CCC1)CNC1CC1	2000513617	JKWSVNMFWCLHNX-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@@H](C)C(C)(C)C)C1	2003021310	QFVYLDHEJREJCK-HGTKMLMNSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@H]1CCCCCC[C@H]1NCC	2003097613	HDYMPYUSLBYRIW-HZPDHXFCSA-N	239.447	4.905	0	10	BJAE	
C=CC=CCCN(C)C1CCCCCCCC1	2003171490	XLONKKBSWMAQGO-UHFFFAOYSA-N	235.415	4.554	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCCCC(F)(F)C1	2003174923	HQRAZIZWGCRCNJ-GFCCVEGCSA-N	246.341	4.742	0	10	BJAE	
CC1(C[C@H](N)CCC2=CCCCC2)CCCC1	2003178038	XVQDENNLIWVFLQ-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H](C)CCC(C)C)c1	2003646259	LNVOKFYBAJSRTL-AWEZNQCLSA-N	232.367	4.640	0	10	BJAE	
CCC1(C[C@]2(CN)CCCCC2(C)C)CCC1	2005589136	KQXZYRIZESWXND-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@H]1CCCCC12CC2	2005602277	WYDAQXVQKAIRQJ-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](C)Nc1cnccc1C(C)C	2005891316	QYGJHNOFNFMUOX-CYBMUJFWSA-N	234.387	4.586	0	10	BJAE	
CCC1CC(C[C@](C)(CC)CNC(C)(C)C)C1	2007738219	LNUUJVUNSINGOV-XUJLQICISA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1(C2CC2)CCCC1	2008472901	JRUWHDSFJIQXIX-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CCC(C)(C)C2CC2)CC1	2009403240	AHNOCYXEWMGVQW-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2009574486	BDQMLXRBGRIFNF-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC12CCC(CC1)CC2	2012816683	AEFJFWPVLWQMFI-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](NC)C1CCC2(CCCCCC2)CC1	2013212008	RPCCERSHKNCXMK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@@]1(C)C=CCCC1	2013265993	BPBFQFBJGUCATE-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC(C(C)C)C(C)C)CC(C)(C)C	2015290327	JBAYJIMSOPNAHM-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)CN(C)[C@H]1CCCC(C)(C)CC1	2015338288	IFDJVTZMUBFWLN-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@@H](C)C[C@H]1CCCCCCCCC1=O	2015387784	SEAIATPKOLQEMT-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
CCCC1(C[C@]2(O)CCC[C@@H](CC)C2)CCC1	2015640313	QSHFPOYDMMRHLS-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@H]2CCC[C@H](CCN)C2)CCC1	2015644512	NOQBSXHFFVBMOR-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1(CC(C)C)CC1	2015742773	OVVSDNJTSKMEBW-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCc1ccc(NC[C@]23CCC[C@H]2C3)cc1Cl	2016322455	BGNKKXPNIRCFPT-SWLSCSKDSA-N	249.785	4.505	0	10	BJAE	
CCCN[C@H](C[C@@]1(C)C[C@H]1C)C(C)(CC)CC	2016456012	KHGSPGUHEVHSPJ-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CN1CCCC12CCCCCC2	2017462802	FPBGJJTXBILICJ-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCC[C@H]1CC[C@H](CCCC(=O)C(C)C)CC1	2017774977	VVEYTSWHGAMPHQ-SHTZXODSSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@@H]2CC)CC1	2017776582	QVDIALRYPLZDBT-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC(C)(C)C[C@H]1C	2018073679	AHVGQNMRVVGLFY-QLFBSQMISA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1CC2(CCC2)C1	2018134696	RDHRICWLDKAWSA-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@@H](O)[C@@H](C)C2CCCCC2)CC1	2018975917	URQZZEOZZDSCAP-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N(C)C1CCCCCC1	2019197908	FCMZNPAVAKLFLF-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)CCCC(C)C)CC1	2019298805	CLIWUSMQFFEAIT-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CCSC[C@H](C)Nc1ccccc1C1CCC1	2021028035	KSANFCLNHBWCIR-LBPRGKRZSA-N	249.423	4.508	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@H]1C[C@@H]1CCC	2022392382	ZUFKGGIMAAPWHJ-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)C[C@@H]1CCCC(C)(C)C1	2024090778	BKGSMAUYYJBUBL-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](O)[C@@H](CCC2CCCCC2)C1	2024146240	IVJGDSSBIUVJPJ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CNC[C@]1(CC2(C)CCCCC2)CC=CC[C@H]1C	2027927511	YGCJHRWSGVEKAL-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCc1ccccc1[C@H](N)[C@H](CCC)C(C)C	2028255556	RATQIOUEWHEBEX-NVXWUHKLSA-N	247.426	4.711	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)c1ccc(C2CC2)cc1	2028598237	OOYVOXYJCAYJPC-LRDDRELGSA-N	246.394	4.670	0	10	BJAE	
C(CCN[C@]12CCCC[C@@H]1CCC2)CCC1CC1	2031809209	PXEDSNLTWLPMCU-SJORKVTESA-N	249.442	4.659	0	10	BJAE	
CC(C)Cc1ccc([C@@H](N)C(C)(C)C(C)C)cc1	2032347062	TVKHILOVOLAWIP-MRXNPFEDSA-N	247.426	4.567	0	10	BJAE	
CC[C@@H](C)c1ccc(O[C@@H]2[C@H]3CCCC[C@H]32)cc1	2033479979	SEQXTMFWERCOAC-VZEFYGNVSA-N	244.378	4.768	0	10	BJAE	
Cc1ccc(NC2CC(C3CCCC3)C2)c(F)c1	2033766326	FGYINHNOVCMLLY-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
C1CCC(CCCNC2CC(C3CCCC3)C2)C1	2033766522	GYDOLBPOTGPBTD-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CC[C@H](C)[C@@H]1C(C)C	2035413612	VPPFLGAQJNEVLB-GLQYFDAESA-N	249.373	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(N)CCC2(CCCC2)C1	2037177987	JDGBEFATEVCOOT-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)[C@H]1CCC2(CCCC2)C1	2037689139	DAJOFSUAEFEVLD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CC(C)(C)C1)C[C@H]1CC=CCC1	2037976065	FZUJNTPSGLCSGT-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@@H]1CCC2(CC2)C1	2038575823	OIXAFVCNJYAGRA-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC2CCC=CCC2)CC1	2039368698	DNHQMEFFDCRXCX-HYVNUMGLSA-N	249.442	4.667	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C1CC2(C1)CC1(CCC1)C2	2039421959	PBXCRPZHKOXFKW-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
Cc1c(F)cccc1N[C@@H](C)C1(C)CCCCC1	2039861151	BWEDHMMXWGKWAM-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CC(C)NC[C@@]1(C[C@@H]2CC[C@@H](C)C2)C=CCCC1	2040182598	REVOZJKWWKIZRH-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)C2(C)CC=CC2)CC1	2042020403	WYVPYHJZZCGEPY-NRXISQOPSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@@]1(C)CC=CCC1	2042025944	ZNPIEBNKMINPSO-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@H]1C=CCCC1	2043188203	RRDWADCJLBEBGW-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)NC[C@@H]1CC[C@H]1C[C@@H]1CCC=CCCC1	2045328477	FOEMOTFZQAUCHS-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC=CCCC1)C1CC(C)C1	2045330316	VGVGVUTZXXCHSW-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](N)[C@H]2CCCC(C)(C)C2)c(C)c1	2045505278	MXNKSNXTKZMACE-GOEBONIOSA-N	245.410	4.520	0	10	BJAE	
C[C@H](CC(=O)CCCC1(C)CC1)c1ccccc1	2045559003	QONINXMYHQFEGT-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2C[C@H]3C=C[C@H]2CC3)CCC1	2045565474	WUALPXREGUCWQQ-KKUMJFAQSA-N	246.394	4.518	0	10	BJAE	
CC(C)=C(C)CCN1CCC2(CCCCC2)CC1	2046584418	YNBGXNSWXIARNW-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1CC12CCCC2	2047007030	FQYSGKCBOLHASB-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@@H]1CC12CCCC2	2047056764	VXNJVTPNHWSKLZ-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]1[C@]1(N)CCCCC12CCCCC2	2047563052	XMMFPBNRIPOKEK-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C[C@@H](C(=O)[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2049173306	RHULXUKUUOKWFQ-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@](C)(N)C[C@@H]2C=CCCC2)CC1	2049413543	ZAIMYBXGZYYCEM-MNAZLIDISA-N	249.442	4.667	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H]2CCCC23CC3)CC1	2049414623	JECUKEJKELJTJY-LBDPXKHJSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc2[nH]c3c(c2c1)CCCCCCC3	2049676798	WVHLNXSSYWMJNU-UHFFFAOYSA-N	241.378	4.779	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)C[C@H]2CCC=CCCC2)CC1	2049680611	HAWHYXRSEJEPGQ-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
Cc1ccccc1[C@H](N)C[C@@H]1CCCC(C)(C)C1	2050451770	XSVMUSMWHRTUQR-GOEBONIOSA-N	245.410	4.601	0	10	BJAE	
Cc1cccc([C@H](N)CC[C@H]2CCC[C@@H](C)C2)c1	2050460258	GVYRMRFMJPEPLE-FRFSOERESA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC(=O)c2ccc(F)cc2)C1	2050494987	OPATVVNMEYYPTD-CHWSQXEVSA-N	248.341	4.615	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@@H]3CC[C@@H]32)cc1C	2052287392	YMKSEHZARZCYMX-HYVNUMGLSA-N	243.394	4.548	0	10	BJAE	
CNC[C@@]1(CCCCCC2CC2)CCCC12CC2	2053358835	LUSMBVMIMDXJDE-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CNC[C@@]1(C[C@H]2CC=CCC2)CCCCC1(C)C	2053397750	PGLYWTOEUVJKOJ-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2CC(C3CCC3)C2)C1	2056641224	XIYDFNWSTDRPMB-LYSZQXJVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)C1CCC(C)CC1	2056876542	RFLGHRYLHJOGEM-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@]1(CNCC)CCCC12CCC2	2059250375	PYDMNLWRVITPON-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1c(C)oc(C)c1C	2059257232	VXJXJRMFZWPVRA-PMGBHYCQSA-N	249.398	4.602	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)C(C)(C)C2CCCC2)CC1	2061148153	STBVIHPOEPJIEQ-CZUORRHYSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC[C@@]12CCC[C@@H]1C2)C1CCCCC1	2061575166	PHMDXXOEEHMIMP-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)NCC1CC(=C2CCC2)C1	2061722382	IWGITZROQJKHOW-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1CC(CC(=O)C2CC(=C3CCC3)C2)C1	2061734252	LEBWVDICRZFCBF-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)CC1CC(=C2CC2)C1	2061741890	RGSCHOMVDNFGHG-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H]1CCCNc1ccccc1C(C)(C)C	2062653148	QWKWQYCAIYTGJT-UONOGXRCSA-N	245.410	4.832	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)CC23CCC(CC2)C3)C1	2065274905	NPNHFMQHXFBEAR-LQWAEYHHSA-N	249.442	4.501	0	10	BJAE	
CC1([C@](C)(N)CC23CCC(CC2)C3)CCCCC1	2065334732	HRDVTNVEEIPTFW-ARWYELJZSA-N	249.442	4.645	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2CC23CCC3)CC1	2069183940	WSZAHZKMWFRTEO-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1(CNC2(C3CCC3)CCC2)CCC1	2071949194	MCAWCANGVNBTMN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2C=CCCC2)CC1	2072702359	KXWZFUBZUJSLOE-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
Cc1ccc([C@@H](O)CC[C@H]2CC[C@H](C)CC2)cc1	2072778771	VFBHOIMEVAUYAK-QRTARXTBSA-N	246.394	4.635	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2ccc(C)cc2F)CC1	2072793760	NLJXSIYNQIIMIO-HDJSIYSDSA-N	249.373	4.762	0	10	BJAE	
CCCC1CCC(C[C@]2(N)C[C@H]3CCC[C@@H]32)CC1	2072802264	WJPTWEOUUHNFKR-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1	2072881059	DARXRDBKLJKAFI-NEADZQPHSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@H]2CC23CCCCC3)CC1	2074648406	IGYXQDUCANDICF-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H]1CCCC(C)(C)C1=O)c1ccccc1	2076450367	MLFYGQLQHVQWBS-UKRRQHHQSA-N	244.378	4.576	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H]2C[C@@H]2C2CC2)CC1	2079326785	BZCRECIKEVVKOE-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1NC1CCC2(CCCC2)CC1	2079529545	MCPYNHAUHADFFC-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
NC1(C[C@H]2C[C@@H]2C2CCCC2)CCCCCCC1	2079665992	OQKTZUFFBVGYPI-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C(=C[C@@H]1C[C@@H]1C1CCCCCC1)CN	2079703171	SVQVWUJCEHDCHE-GDBMZVCRSA-N	249.442	4.524	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)c1cccc(C2CC2)c1	2079842246	NICRCFNKKUKHJB-BBRMVZONSA-N	242.362	4.573	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2C[C@@H]2C(C)(C)C)c1C	2079850292	DURBTTUGQMCKJL-ZFWWWQNUSA-N	244.378	4.558	0	10	BJAE	
O=C1CCCCC[C@@H]1C[C@@H]1C[C@@H]1C1CCCCC1	2079861497	GGBOKBPGNNPTBA-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@H]1C1CCCC1)C1CCC1	2079865632	PERUZCSAIKZPIS-ZFWWWQNUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)[C@H]2C=CCCCCC2)[C@@H]1C	2081138379	VOYBBAAYVWATGU-NCOADZHNSA-N	249.442	4.632	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)C)c1cc(C)cc(C)c1C	2082919672	SCZAAGQGVFIPJN-GUYCJALGSA-N	247.426	4.555	0	10	BJAE	
C[C@@H]([C@H](N)c1cccc(C(C)(C)C)c1)C(C)(C)C	2083540868	DMQPMRCUONOAHH-WFASDCNBSA-N	247.426	4.666	0	10	BJAE	
CCCNCC1(CCCCCCC2CC2)CC1	2213577363	ZTJCSFBWBHSRTK-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C[C@@H]1CC[C@H](O)[C@@H](CCCCCCC2CC2)C1	2213580704	NRPSCGNIOKPYOO-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CCCCC1CC1	2214566086	SLDYULOSLYRETL-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@@H](C)C(C)(C)C	2214578885	KAJDMVCSGGVNSB-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCSc1ccccc1NC[C@@H]1CC[C@H]1C	2214951951	QORWLNYDBNNGMY-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCCC1	2218338669	YFHWYPSCSCEAAX-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@]1(N)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218356329	LVIWAXLZCOOZMM-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218362184	UVPPXLJZYCIQAE-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1C[C@@H]1C1CCC1	2218731903	NBNQRBGRLRJJHI-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCC1CC1)C(C1CCC1)C1CCC1	2220027033	FAYTYJYCPBEJIA-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@]2(C)CC=C(C)CC2)C1	2221598719	CKHMCTZXVSXLRV-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](N[C@H]1CC=C(C)CC1)c1cccc(C)c1	2221660575	BMGBGWXPWYSEPX-DLBZAZTESA-N	243.394	4.535	0	10	BJAE	
C[C@]1(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC(=O)C1	2222970011	ASSXSWCZDGYGKI-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
N[C@H](C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCCC1	2222978408	OYCWRIAUWGZREC-MUIFIZLQSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCC1	2222983728	ZLWVMNSNXNIXLZ-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
NC1CC2(CC[C@@H]2CCCCCCCC2CC2)C1	2223159138	LKGKYFKHHMSHJK-GTPINHCMSA-N	249.442	4.645	0	10	BJAE	
Cc1c(Cl)cccc1NC1CCC=CCC1	2244136275	MPTNZRIVRWNTRT-UHFFFAOYSA-N	235.758	4.559	0	10	BJAE	
CC[C@@H](CCN)CC[C@H](C)CCCC(C)C	2244868943	TUTUPKNEGOREDT-HUUCEWRRSA-N	227.436	4.604	0	10	BJAE	
CCC1(CC)CC(O)(CCCC[C@H]2C[C@H]2C)C1	2247119962	BPXGEWRUGRYTGH-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@H](O)CCCC[C@@H]2C[C@@H]2C)CCC1	2247172803	BFWXSWZORLKHCZ-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCCC1(CO)CCCC1	2248819079	HOKBXTOIUQKWOL-LSDHHAIUSA-N	238.415	4.536	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@H](CC)CCC	2250372132	OMKQZWDALAFMHA-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cc2ccccc2s1	2250384510	BREXMZOVSLGRRW-NHYWBVRUSA-N	247.407	4.727	0	10	BJAE	
CN[C@@H](C)C1(CC[C@H](C)CCCC(C)C)CC1	2250482543	VIBABVHEEDFKCD-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(CN)C=CCC1	2250496204	PSFGVVWXQQJMPM-HOTGVXAUSA-N	237.431	4.524	0	10	BJAE	
CCC[C@](N)(C[C@@]12CCC[C@H]1CC2)C(C)(C)C	2251212915	UWPZPTHQGCKBFI-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@H]1CCC(C)(C)C1=O)C1CCCCC1	2251714379	WUYIGPMMNVVJCB-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(-c2nc(C3CCC3)c(C)s2)c1	2252739215	HURURICQSNCMCX-UHFFFAOYSA-N	243.375	4.694	0	10	BJAE	
Cc1cccc(-c2ncc(C3CCCC3)s2)c1	2252739630	KIUKVYKLPNCKMW-UHFFFAOYSA-N	243.375	4.776	0	10	BJAE	
CC(C)CCCC(=O)c1ccc2ccsc2c1	2253058077	BMAKTEKJGFYPLY-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
O=C(CC[C@@H]1CCCCC12CC2)C1CCCCC1	2253813510	UCSSVQTVSXKCFG-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C[C@H](CC1CCC1)NCC[C@H]1CCCCC12CC2	2253883252	HTTQGRDDCFEKKY-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC[C@H](O)c2ccccc2)C1	2253994900	HOXKAWCTHIHMBG-ZOBUZTSGSA-N	246.394	4.717	0	10	BJAE	
CCCNCC1(C[C@H]2CCC23CCC3)CCCC1	2254822966	VJIOIXSGXBGYIC-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
O[C@H](CC1=CCCCC1)[C@@H]1CCCCC12CCC2	2255091377	JLGVRAGKVYSXEX-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2CCCC23CC3)C1	2255229873	SPIVOPZNIZBKKK-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@H]1CCCC12CC2	2255234509	KIXOYZPASJRBBZ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@H]2CCCC23CC3)C1	2255266631	AVIBGMGXUMKSFW-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CC([C@H](N)CC[C@H]2CCCC23CC3)C1	2255275862	NBNNBDHXNFZUEO-LVDPKSTMSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@](C)(N)[C@H]2CC23CCC3)CCC1	2256460118	VFWRCXNTMGMBQM-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C(C2(N)CCC=CCC2)CC1	2257939197	SMXUPFPOZPBJHF-CQSZACIVSA-N	247.426	4.587	0	10	BJAE	
CCCC1CCC(C=C2CCC[C@]2(C)CN)CC1	2258786145	AYKFFUXAUNSASJ-VMBOVVBDSA-N	249.442	4.668	0	10	BJAE	
N[C@@H](CC[C@@]12CCCC[C@@H]1CC2)C1CCCCC1	2260648666	SZBWYLXMZPEFDK-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCC1CC(C)C1)C[C@H]1CC=CCC1	2261494099	WSBLNOUCJOPXOA-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC[C@@]12CCC[C@H]1C2	2300501931	TYTMVAQTOLVOEJ-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC=C(C)CC)NCC	2300873435	ZTRBXTWPXKULOK-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CC(=CC[C@@]1(C)CC[C@H](N)C1)CCCC(C)C	2300880551	NLGUMRZSKVUACV-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC=CC[C@H](N)[C@H]1CC[C@H](CCCCC)CC1	2300900571	ZEXHWXJQDPFLFB-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CC(=CC=C1CCC(N)CC1)CCCC(C)C	2300926603	NKGYPQMOSTZXLY-UHFFFAOYSA-N	235.415	4.587	0	10	BJAE	
CC(C)=C(C)CCC(=O)CCC1=CCCCC1	2301921993	UPSQIXIPPIVFLZ-UHFFFAOYSA-N	234.383	4.973	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1CCC(C)(C)C1	2302900344	DBBIJLAALCBGGF-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CN[C@@H](CCC[C@H]1CCC(C)(C)C1)C(C)(C)C	2302902138	MZPSCDVJHSZKBV-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@H]1CC[C@H]1C1CC1	2303061284	XPJGVQAQQNCFQP-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CC[C@@H]1C(C)(C)C	2303406104	ZAKZYBAGSDFVTN-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](C)[C@H](C)NC(C)C)CC1	2303522343	HLPIJDWHSVYBHM-HRCADAONSA-N	237.431	4.536	0	10	BJAE	
CCCN(C[C@H]1CCC(C)=C(C)C1)C(C)(C)C	2303584491	QKEKZXUCBQZWLO-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)CCCC2CC2)C1	2304434378	DDHJODDEUQJJLC-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H]1CCCCC[C@@H]1C	2307746595	GPKGYLYKKIIUKO-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(C)(C)C[C@H]1CN	2307825767	FJFCGNHHZJENCR-ZNMIVQPWSA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CCCC1CC1)NCC	2307834507	JPIWAHGETKDXLI-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](CN[C@H](C)CC)C1CC1	2307837843	LAGWTQPVORYARR-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@@H](NCC)C[C@H](C)C1	2307908811	RFJXKPPLYNOCAX-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@H]1C)C1(C)CC=CC1	2310431224	NISVSNDHAGEUJX-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)NCC1(C[C@@H]2CCC[C@H]2C)CC=CC1	2312613943	SRWJIPQNNCGSDC-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2	2312899818	NXEOFULVQATUPL-XTJKPPFFSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1C[C@H]1C1CCCC1	2316876510	WDKMRTXIOQLXHR-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
NC1(CC2CCCCCC2)C[C@H]2CCCC[C@@H]2C1	2316884856	NDZWSRDEMWGEJX-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](O)CCCC(C)(C)Cc1ccccc1	2317258170	ZUOMFXCYRKRWAE-INIZCTEOSA-N	248.410	4.587	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H]1[C@@H](C)C[C@H]1C	2317906918	LXNFRDQQSOGEKP-WTTBNOFXSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H]1C[C@@H](C)c2ccccc2N1	2317950361	IKYFYGVQMBEXNK-XJIUQZFPSA-N	245.410	4.903	0	10	BJAE	
CCN(C[C@@H]1CCC(C)(C)C1)c1ccc(C)cc1	2319288279	GNQVRUOKGHVPCL-OAHLLOKOSA-N	245.410	4.648	0	10	BJAE	
CCC1(NCC[C@@H]2CC[C@H]2C2CC2)CCCCC1	2319749436	NGBNFTAKYJQROZ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2C[C@H](C)CC(C)(C)C2)CC1	2320238344	UDEMKHCAKSAAMZ-MAZHCROVSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@H]2CCC[C@@H](C)C2)CC1	2320335677	WTLJXFNTJFCTTN-YYQUZTFQSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2(C3CCC3)CC2)CC1	2320393090	BSRDJBZPYVLRRA-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
CC1=C(C)C[C@H](CNC[C@H]2CCCC2(C)C)CC1	2320413928	VJBYISZOWOXCJM-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@H]2CCC3(CCC3)C2)C1	2321528888	WXPNXHXOKRCRQB-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](c1cc(C)ccc1C(C)C)C1CCCC1	2327672470	FAZVTKMJPFZNLU-QGZVFWFLSA-N	245.410	4.569	0	10	BJAE	
CCC1CCC(Nc2ccc(C)c(F)c2)CC1	20000057	HUMIAPUKKHRDSA-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCC[C@H](C)C2)cc1	21014171	SGNYGRPFQJMKMD-BBRMVZONSA-N	231.383	4.801	0	10	BJAE	
CCN[C@@H](CCC(C)C)c1cc2ccccc2o1	62797859	XKYBNIICJIHEQZ-AWEZNQCLSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@@H](CC)CNc1cccc(Cl)c1	71125997	KJNIJVAVUJRZAT-GFCCVEGCSA-N	239.790	4.968	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H](C)CNC(C)(C)C)C1	84140611	ILYGKVOEZMFOMW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1C[C@H](C)CC[C@@H]1C	85086747	CPLHRPYPBCFUOY-FXUDXRNXSA-N	239.447	4.616	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCC[C@H](C)C1	85387918	VXIXPRJFJMYKHH-CMPLNLGQSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C)CC2)cc1F	86879153	LOBYAPMXKIHCHV-AAEUAGOBSA-N	235.346	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](Nc2cccc(F)c2)CC1	86922548	OQJOFKGDUMXZFQ-UKRRQHHQSA-N	249.373	4.843	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCCCC1(C)C	94323852	JPVORHNLCPOSGS-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCCNC[C@@H](c1ccc(C)cc1)C(CC)CC	94675616	BUHHQYFSGPTTNK-QGZVFWFLSA-N	247.426	4.514	0	10	BJAE	
Cc1cc(C)c(NC2CCCCCC2)c(C)c1	109899279	ZJFLLTWGFKNLJM-UHFFFAOYSA-N	231.383	4.747	0	10	BJAE	
CCCCCC[C@H](C)Nc1cccc(F)c1C	109939509	PGCFGHYGZOCESD-LBPRGKRZSA-N	237.362	4.905	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@](O)(CC)c1ccccc1	111745565	UHBNQAIQOBSSFT-BHYGNILZSA-N	246.394	4.501	0	10	BJAE	
CCCCCC[C@@H](C)[C@H](NCC)c1ccccc1	128548264	ZGOQDUMVMPQNOR-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CC(C)C[C@@H](Cl)c1cccc(Cl)c1	147327984	WLUULCLESBNSSA-LLVKDONJSA-N	217.139	4.666	0	10	BJAE	
Fc1cc(OC2CCCCCC2)ccc1Cl	149510125	DJOTXSIFXLSCQY-UHFFFAOYSA-N	242.721	4.581	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)C1(CC)CCCC1	162156522	BLXNFAJHGKVQJZ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@H](C)C(C)(C)C)CC1	162677724	OUFNTIKWRADCFQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](NC1CC(C)C1)c1ccccc1	163674203	OXNDOZUFRAYGOM-BDVYOWHSSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(CNCC)C1CC1	164152693	DKVSMASTXBAXII-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1cc(C)oc1C	164273616	RNOURHKRZWNDSM-CYBMUJFWSA-N	236.355	4.686	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CCC2CCCCC2)C1	166240582	LNICAGROAJLEJC-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
Cc1ccsc1C(=O)CC1CCCCCC1	168410792	JRQSJPNMNMLYMO-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1cccc(Cl)c1	168975384	HZPBUMHKHQXABF-BXUZGUMPSA-N	240.774	4.590	0	10	BJAE	
CC(C)CC(=O)c1cccc(-c2ccccc2)c1	204745724	JQDSUEMAHIEVFG-UHFFFAOYSA-N	238.330	4.582	0	10	BJAE	
CC(C)=CCN[C@H](C)c1ccc(CC(C)C)cc1	219249883	RNDROGVOTMKBOE-OAHLLOKOSA-N	245.410	4.502	0	10	BJAE	
CCN[C@H](CC(CC)CC)c1cc(C)ccc1C	229164569	UACWOBKYPKTPOR-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
Cc1cccc2c(C3CCCCC3)c[nH]c12	229303232	BRSNUMOANDPBJN-UHFFFAOYSA-N	213.324	4.524	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCC[C@@H](C)C2)c1	232230657	IHPBSOUNSRVZLG-ZYHUDNBSSA-N	237.774	4.639	0	10	BJAE	
CCCCC[C@H](N[C@H]1C[C@@H]1CC)c1ccccc1	232973057	DBBISHDEJXWULZ-XIRDDKMYSA-N	245.410	4.696	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H](C)c1ccccc1	233153956	DWLUOUXZZAWPCZ-PBHICJAKSA-N	247.426	4.595	0	10	BJAE	
CCC[C@@H](C)[C@@H](CCC1CCCCC1)NCC	233285669	WOCJSHLFTNPFHH-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@@H](C)NCC2(C)CCCCC2)cc1	235186602	CCYPBMQSBZLEOW-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
Cc1cccc(N[C@@H]2CC(C)(C)C[C@@H]2C)c1C	235590495	PZHPIAXWTUYLOR-SWLSCSKDSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	252363599	QMADIGPCDWCJNR-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(C(C)C)CCCCCN1	302338434	LSJHRIISMKQWMI-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CCCC(C)(C)C1	302554719	WJOQXYVHZQUQAX-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCCC(C)C	308041251	AMFYZMQRDSOLEK-HUUCEWRRSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@@H](CC)CC(C)C	308106480	VWTRQHWUCQEHEN-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@H](C)CC(C)C	308118184	YHQRQSOUPWXYRZ-ZIAGYGMSSA-N	226.404	4.700	0	10	BJAE	
CCC/C=C\[C@@H](CCC)Nc1ccccc1	309055819	JRZFBQIKQDTVAO-SMJHDNPOSA-N	217.356	4.624	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(N)CCCCCCC2)C1	310227544	OCFDLASGTUQTKU-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CC)CCCC1CCC(C)(C)CC1	310547484	VLZASIZWRHHQJW-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCOc1ccc2c(ccn2[C@@H](C)CC(C)C)c1	310705554	CKVNMRAGAHCKPE-ZDUSSCGKSA-N	245.366	4.647	0	10	BJAE	
C[C@@H]1CCc2cc(CC3(C)CCCC3)ccc2N1	311183302	ZVBXAUXONVCFDY-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
CCC[C@@H](N[C@H](CC)C1CCC1)C1CCCC1	313446310	RAPVGXCQLOTWIW-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)[C@@]1(CNC(C)C)CCCC[C@H]1C	318121313	VPQYKWYBHPPMBI-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C(C(C)C)C(C)C)[C@H](C)[C@H](C)CC	320061324	WAAWEGZYKFCOBD-IIAWOOMASA-N	241.463	4.575	0	10	BJAE	
CCC[C@@H](N[C@H](C)C1CCCCC1)C1CCC1	322680228	JNZZGQVCIBLHFT-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CCC1(C[C@H](N)[C@H]2CC[C@H](CC)CC2)CCC1	328492036	XXQKCNUSBDROPK-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1OCCC1CCCC1	379863183	VJCCNXGMKXBFEJ-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
CC(C)CCCCC[C@]1(C(C)(C)C)CCCN1	383312053	WAXFWKPJROTOFJ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC)[C@@H](C)CC1CCC(C)(C)CC1	383896946	MYXKCPLUQNDSQI-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@H]1c1nc(C(C)(C)C)cs1	385034122	QIGQZKHHIUWDEO-WDEREUQCSA-N	237.412	4.734	0	10	BJAE	
C[C@H]1C[C@H](Nc2ccsc2Cl)CC[C@H]1C	387275719	UMJGHIPEQMYZQS-KXUCPTDWSA-N	243.803	4.638	0	10	BJAE	
CCCN[C@H](CCC1CC1)C1=CCCCCCC1	395552238	ZZEINIXYGIXAQS-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCc1cc(S)c(C(F)F)c2sccc12	396237310	IZVXJOOKSQVLKN-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCOc1c(C(F)F)ccc2c(C)csc12	396243765	NWZKTOFNVJKTHT-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1c(C(F)F)c(F)cc2sccc12	396254500	UCSQJPNDIYACFM-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@H](C)C(C)(C)C	399229775	YVHKCXVXLVSPHO-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC1=CCCC1)C1CCC(C(C)C)CC1	400471526	QVYJVENWHJOKBR-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1=CCCC1)C[C@@H](C)CC(C)(C)C	401087700	SFXKZMSTUJXNSW-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)Nc1ccc2c(c1)CCCC2	404633689	IFOSIFMSPKTRRG-UHFFFAOYSA-N	245.410	4.946	0	10	BJAE	
CCCCCCC(=O)CCC(C)(C)C1CC1	405746301	BOHIKPZCYUPOTA-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCCC[C@H](CCC(C)(C)C1CC1)NC	405789828	GERXPRMXMDQLGB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@H](N)CCC(C)(C)C1CC1)C(C)(C)C	405792590	GXQRJYFNROPIET-TZMCWYRMSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CC[C@](CCCC2CC2)(CNC2CC2)C1	405984712	BSBKDUAGPVCPHO-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@H](N)c2cccc(C(C)C)c2)CCCC1	688914853	NLCRDBKYSGCGMC-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CC[C@H](Nc1cccc(C2CC2)c1)[C@H]1CC1(C)C	690112181	UMOSMLIUXRLFAL-CVEARBPZSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](C)CCC1CC1	691071957	FCFLYFFCWIVVCA-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCCCC[C@H]1C(C)C	691171944	WXJITFHASVHHQN-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)Oc1cc(C(C)(C)C)ccc1Cl	694960745	KLPKRIMBAMDEDT-UHFFFAOYSA-N	240.774	4.815	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1ccsc1Cl	696713380	QKTVMHCBZQWQSG-JTQLQIEISA-N	246.803	4.651	0	10	BJAE	
CCC(C)(CC)[C@H](O)C1CCC(C(C)C)CC1	701048144	QIBYAFCRERUDKH-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)C(=O)C1CCCCCCC1	701291583	NLSNMKVEWNUCBC-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1C[C@H]2CC[C@H]1C2	704970660	FYEIATGONDVVPG-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
C[C@H](CN[C@H]1CCCCC1(C)C)CC(C)(C)C	709121880	GPWMURSKBXYVQB-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC1(C)C)[C@]12CCCC[C@H]1C2	709148530	JFERQZAHGMPPMP-LJIGWXMPSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1cscc1Cl	710452086	MFPDROSKKVYXCY-CABZTGNLSA-N	246.803	4.507	0	10	BJAE	
CCC1CCC(CN)(C[C@@H](C)C(C)(C)C)CC1	711223000	DCIJIUNBJIWUBT-VQCLRJIVSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCC[C@H](C)CC1	711281956	YWKVQAGPMBGQEI-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2C[C@@H]3CCCC[C@@H]32)CC1	712524258	KVLQHPWJJHRVKA-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1NCC[C@H]1CC=CCC1	713027662	XVZVNSKNFUJSSO-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CCC(C)(F)F)NC	713927029	WNHZRFWECABOGF-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
C/C=C/C[C@@H](CC)c1ccc(OCC)cc1	714522294	ONNMHHIYLPICDR-WXJAXGNASA-N	218.340	4.545	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)CC[C@@H]1C[C@H]1C1CC1	714784230	VODDDAIENXPQLP-SGCSTNKXSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](c1cc(C)co1)C1(C)CCCCC1	716233666	BSZLTBYPIGQYBB-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CC(C)(C)CC	718537518	HFAJAPORLGBCDL-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CC(C)=C(C)CCc1ccc2cccnc2c1	718647637	MEZMEHTUISBYIR-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
N[C@]1(C2CCCCCC2)CC[C@@H]2CCCC[C@@H]2C1	723613702	QXAINCNVDROJIL-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
CCCCC1(NC[C@@H]2CCC[C@@H](CC)C2)CC1	1461816029	YRRQTHRKLIRRJV-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
c1ccc2c(c1)CCC[C@@H]2SCCC1CC1	1472980583	FKFLIHKFZYEOHR-HNNXBMFYSA-N	232.392	4.597	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NC1CC(C(C)(C)C)C1	1560856991	VKJNSZFTGBUXRQ-JLVJUDLZSA-N	239.447	4.616	0	10	BJAE	
Cc1cccc([C@H](C)SCC(C)(C)C)c1	1643920817	DGGCPJPUUAUQMA-LBPRGKRZSA-N	222.397	4.835	0	10	BJAE	
CC(C)=CCC[C@H](C)NC1CCC(C)(C)CC1	1876815250	NWOUIJKOVNVJRI-AWEZNQCLSA-N	237.431	4.680	0	10	BJAE	
CCCCCN(C(C)C)[C@@H](C)[C@H](C)C(C)C	1901722712	DFJAWGBKQCQCLV-CABCVRRESA-N	227.436	4.568	0	10	BJAE	
CCc1cscc1N[C@@H]1CCC[C@H](C)[C@@H]1C	1902389732	GOXFYEJEWVFUOM-GMXVVIOVSA-N	237.412	4.547	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](CCCCCC(C)C)NC	1910623716	AVOJLCHXAQIKSK-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)C1CC2(CCCC2)C1)C(C)(C)C	1912659200	PXYWUSBGNWXZEO-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCC=CCN[C@@H](CCC)c1cccs1	1914666993	OJXOEXRMPNWGPU-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCC3(CCCCC3)C2)[C@@H]1C	1915863944	BEEMTRNEBJJZOF-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCc1ccccc1N[C@H]1CCC2(CCCC2)C1	1916424995	ABBHQAWNDFBFET-HNNXBMFYSA-N	243.394	4.774	0	10	BJAE	
CCC(CC)[C@@]1(CNC(C)(C)C)C=CCCC1	1916568317	ILPRZHVQRKNRRX-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](O)(CC)[C@H]1CCCC[C@@H]1CC	1919526534	SOYIOFVUZCICIR-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C1CCCCCC1	1919948801	PPXMVTQHRXWMOA-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@](C)(O)Cc1cc(C)ccc1C	1919975149	RVVLEZPTZLVEGS-QGZVFWFLSA-N	248.410	4.567	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@H](C)CCC(C)C	1920200261	YUXPTOWGSWAKOF-RRFJBIMHSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1CC(CC)C1	1921305209	OLDIVRCFQVUTPF-HSBZDZAISA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC2CC2)CCCC12CCC2	1921632697	JHCJLOQGJDVIHC-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC1(C)C)C[C@@H]1C=CCCCC1	1925757618	OBZADKOCBGQFLM-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CCC[C@H]1C=CCC1)C(F)(F)F	1932596714	VVFIZPMCTVALCZ-JTQLQIEISA-N	220.278	4.711	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1csc(Cl)c1	1933607293	IXBZVNQAJWWIHE-SKDRFNHKSA-N	245.819	4.618	0	10	BJAE	
CCC[C@@H](C(=O)c1sccc1CC)C(C)C	1938200525	BWVKZLZXJPOYAA-GFCCVEGCSA-N	238.396	4.566	0	10	BJAE	
CCCC(CCC)C(=O)c1cscc1CC	1938815961	ZKTKTSSFHFBDMP-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CCCC[C@@H](NCCC)c1cscc1CC	1938827163	UVOUYBGGILQHCB-CQSZACIVSA-N	239.428	4.541	0	10	BJAE	
CCCC[C@@H](CCCCCCC(C)C)NC	1939111378	LPSFWYRFOSLTAB-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCC[C@H](C)CC1	1939902983	JGSIKRNBARZDJF-GXTWGEPZSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](O)CC1CCCCC1	1941244288	UZIMVKWLVHUMSF-HOTGVXAUSA-N	240.431	4.636	0	10	BJAE	
CCNCC1(CCC(C)(C)CC)CC(C)(C)C1	1941986802	DGRORKMXSOPCGM-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)c1cccc2sccc12	1945969913	JACRHDDUNNPPRK-OAHLLOKOSA-N	244.359	4.520	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)(C)C)CC(C)(C)F	1947081570	RZGJKRYLMCBISR-STQMWFEESA-N	245.426	4.565	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@H]1C=CCCC1	1947552708	QZBZVNIORSSMSL-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
Cc1cc(NC2C[C@@H]3CCCCC[C@H]3C2)cs1	1947861145	YKQJVZTVQYVXIL-STQMWFEESA-N	249.423	4.827	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)C1=CCCCCCC1	1948950151	VFYNFRJAEAFJBI-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C1=CCCCCC1	1948977887	SXXDTRPSISDJSW-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
CC(C)(C)[C@H](N)CC[C@@H]1CCC2(CCCC2)C1	1949551826	NBLRZAKFHZKHNP-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C2CCC1(CNC1CCCCCC1)CC2	1965915077	MZFASJIVVJAWSS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(N[C@@H]2C[C@@H]3CCCC[C@@H]3C2)CC1	1966046345	QKFMQPLQTIUZIX-FOLVSLTJSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1CC(N[C@@H]2CCC3(CCCC3)C2)C1	1967739005	OMDBOVXSKKSMHZ-SHARSMKWSA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1OCc1cccc(C(F)F)c1	1968271069	QPMFUVNXUWGYEY-UHFFFAOYSA-N	248.272	4.512	0	10	BJAE	
CC(C)c1ccccc1OCC12CCC(CC1)C2	1968370144	CSJQLTRVTWQUIG-UHFFFAOYSA-N	244.378	4.769	0	10	BJAE	
Cc1cc(NCC[C@H]2CCC[C@H](C)C2)ccc1F	1968591793	NSYWDJBDKGPPJJ-GXTWGEPZSA-N	249.373	4.762	0	10	BJAE	
CCC(CC)CN(CC)CC1(C)CCCCC1	1968783021	BUTAZLYRKUXYEG-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
C[C@@H]1CC[C@@H](COc2cccc3sccc23)C1	1969667017	KIWIIUFDSUMDTD-VXGBXAGGSA-N	246.375	4.716	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1CCC2CC1C2	1969958242	DGIBLKTYDHFEFN-MWHAMWOXSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CC(C)(CN[C@@H]2CCCCC23CCC3)C1	1973677377	XTPNYQBONXZFQK-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](Nc1csc(C)c1)C1CCCCC1	1975998321	NGTXQZWYJMGLRH-CQSZACIVSA-N	237.412	4.827	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H](C)C1CCC1	1990094030	RAMQNICEFUCTDL-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](NCCC1CCCC1)C1(C)CCCCC1	1995989924	CHBPJLGOKKQBCJ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)CC2CCCCCC2)C1	1996239937	WOBNYRWHIDONBM-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCCc1ccccc1C(=O)C(C)(C)CCC	1996612511	JERAAOUNNWPDDV-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@@]1(C)CC=CCC1	1997545437	CNGZOKBMJQDDAZ-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC2(CCC2)C1	1998696578	QCZQABHAXHIPOG-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCCC1([C@@H](C[C@H](C)C(C)(C)C)NC)CCC1	2000323464	XYVXEYKWHUGTMF-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)NC1[C@@H]2CCCCC[C@@H]12	2002168424	HCDAVTDVQDBDCC-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C1CC(C(C)(C)C)C1	2002306381	NNAZOKHSCBDFQJ-PPWQZUPISA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@@H]1CCCC2(CC2)C1	2003193701	ZUWSCESJJQZHOC-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CC1)NCC1(C)CCCCCCC1	2004937859	VXYTUJVTYZCXNS-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](C)[C@H](NC)C1	2006962456	QYWCTSWRZHYVRU-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@H]1CC[C@H](CC)CC1	2007852857	HYZHNLVINREZOP-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)NCC1(C2CC2)CCCC1	2008469726	CNWFPCDLYRMNEB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CCC2=CCCCC2)CC1	2009405540	ZZCIHHRLELHEAQ-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCCC12CCCCC2	2009566525	FNHDZLBYOBBNMZ-WOMSROEHSA-N	235.415	4.565	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H]1CCCCC1(C)C	2009592959	YRBWZJIKRLXGNG-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H](CC)CC(C)C	2009619677	NSMBTMPMIVKDST-HKFHSAMXSA-N	239.447	4.783	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011976733	PWXBNNIZFNRQSC-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(F)(F)F)c(C[C@@H]2C=CCC2)c1	2012469547	RJJOWTZOZSKWPZ-LLVKDONJSA-N	240.268	4.523	0	10	BJAE	
CC(C)[C@@H](C)C[C@]1(O)CCCCC12CCCC2	2015283921	IRHPZOBRFKOVDY-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)[C@@H]1CCC1(C)C	2016142656	ATCQDBHQOHBGIB-ZNMIVQPWSA-N	237.431	4.536	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC1(C(C)(C)C)CCC1	2017127068	JOTZODHHPXVUFS-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]([C@H](N)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017148852	TWCIAGYRJDGJJN-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@H](O)C1(C(C)(C)C)CCC1)C(C)(C)C	2017154703	MJDVYNCVMOVLMG-OLZOCXBDSA-N	240.431	4.636	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C[C@H]1CC[C@H](C)CC1	2017651436	UBUKKGVVLUHQPO-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)[C@H](C)CC(C)C)CC1	2017652907	MOCSDWCIAVLZCF-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(C[C@H]2CCCCC[C@@H]2O)CC1	2017712511	PKJNPHQEGSNPRC-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](N)(CC)CC1C[C@H]2CC[C@@H]2C1	2018133542	FSMRMCYNUOFTSL-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@](O)(CC)[C@@H]1[C@H]2CCCCC[C@H]21	2018136514	MANKSKPYJHGXEF-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC(=O)C2(CC(C)C)CCCC2)CC1	2018945797	VICVTVSSJHQIGR-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC1(CC2(O)CCCCCCCCC2)CC1	2018970744	SAWLXDTVZDFVGG-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CCCC1(C[C@@H](O)C2(C(C)(C)C)CCC2)CC1	2018971331	YIXBXESSJPOZRN-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@](O)(CCC(C)C)C2CC2)CC1	2018981387	YJDGECJROJANMS-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1C[C@H]1CCC	2022381595	FFHQZPGLZAPGQG-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](N)CC[C@H]1C[C@@H]1C1CCCCCC1	2022499591	RGARSIRJDNJRIU-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2022989462	BEMXQBLVXKUIQH-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H]3CCCC[C@H]32)cs1	2022990230	DYGZLSPMSOHPKD-NWANDNLSSA-N	249.423	4.827	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H]1CCC[C@H](C)C1	2023329492	AFAOLAKAYALUSL-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CCCCC(C)(F)F	2023353225	LAGBFGAJTSCTSC-OCCSQVGLSA-N	249.389	4.746	0	10	BJAE	
CC(C)CCCCC[C@@H](C)[C@H]1CC[C@H](N)CC1	2023548061	HGDFXEIFXUYAPF-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@@H](C)[C@H]1NC	2024004621	QQQBBLGGPNJXTI-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](CCC[C@@H](N)C(C)(C)C)C1	2024092445	RCVHMUQTOVAQHQ-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](CC1CC(C)(C)CC(C)(C)C1)[C@H](C)O	2024126320	XEWHISDIRPDRFY-JSGCOSHPSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](C=C1CCC1)NCC	2026075828	ZKEGHMPKPBVNCG-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@H](CC[C@H](C)CCCC)NC	2026170235	OFBSOLJMCXZPQJ-HIFBNBFRSA-N	239.447	4.927	0	10	BJAE	
c1sc(CCC2CCC2)nc1C1CCCCC1	2026604446	CGGKCUOUAPYINI-UHFFFAOYSA-N	249.423	4.924	0	10	BJAE	
C[C@H](CC1(C)CCCCC1)[C@H](O)c1ccccc1	2027316902	OGNXMPZCYMYAGB-ZBFHGGJFSA-N	246.394	4.717	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C2(C3CC3)CC2)cc1	2028111757	IMIBIARWMBYSEO-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
Cc1cccc2nc([C@H](CC(C)C)C(C)C)[nH]c12	2028259272	ZAFBCORNLNMHBR-CYBMUJFWSA-N	244.382	4.657	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)[C@@H](C)C1CCC1	2028872827	NDMMBTISGFXVKP-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CC1CCC=CCC1	2028906019	FIKNCZSMQSSULJ-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(CC(=O)c2ccc(C3CC3)cc2)C1	2029073725	GMWGSBZSECBQKF-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)c1ccccc1NC1C[C@@H]2CC[C@H]2C1	2029080644	KAEPYYABFMDXOJ-STQMWFEESA-N	243.394	4.585	0	10	BJAE	
CCC1(C[C@@H](O)c2ccc(C3CC3)cc2)CCC1	2029080838	LWGLLIHWQWNAAM-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)C(C)(C)C(C)C	2032339709	SDQVTKZIXBZPEN-MRXNPFEDSA-N	247.426	4.753	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)C1(C)CC(C)(C)C1	2035598202	DYQXFZHIZSMMQH-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@]1(N)CC1CC2(CC2)C1	2036724399	LZILKTUQXDOJLL-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)[C@@H]1CCC2(CCCC2)C1	2037583196	NKBXNAQMWLMAOB-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)[C@@H]2CCC3(CCCC3)C2)C1	2037673327	VOHHUOHWJWKPMH-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C[C@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037972392	MRXQASUISNAYOM-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](NCCC1CC(C)(C)C1)c1ccccc1	2038100822	KAYNPFYZOSANCW-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@](C)(O)c2ccccc2)C1	2038164520	JLBBXKLEGUQSDU-VYDXJSESSA-N	246.394	4.501	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N[C@@H]1CCC1(C)C)C2	2038934524	USVITUKJQDEZOF-CQSZACIVSA-N	249.442	4.514	0	10	BJAE	
CNC[C@]1(CC2CCCCC2)CC12CCCCC2	2039002410	ITEFYRWKIFSVTQ-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C2=CCCCCC2)CC1	2039378742	WOPJJKHAYSFIFT-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2CC3(CCC3)C2)CC1	2039384270	HJKFEZNAYKTMOT-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC23CCC(CC2)C3)C1	2039419119	BLTJVDQRIIYWFH-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCCC(=O)C1CC2(C1)CC1(CCC1)C2	2039424963	XPYFIGHSZLPURY-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](c1cc(C)c(C)o1)C1(CC)CCC1	2039719272	FRHGKDWPEFJXFB-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
C[C@@H](NCCCCCC1CC1)C12CCC(CC1)C2	2039847116	BHSFMWXSSZOOOV-ODIFPOPNSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C[C@@H]2C=CCCC2)CC1	2040644504	NLCBPBHXSFQMFB-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CCC=CCCC2)c1	2045312928	SIEUGRYQVAHGDZ-OAHLLOKOSA-N	242.362	4.704	0	10	BJAE	
N[C@@]1(C[C@H]2CCC=CCCC2)CCC=CCCC1	2045316837	HJOQITSIMALEAU-IRXDYDNUSA-N	247.426	4.731	0	10	BJAE	
CC(C)CC1(CNC[C@H]2CCC=CCCC2)CC1	2045319075	AEWMEGVZGNPVMB-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@H](C)c1ccccc1	2045555869	OEROKPOPLSTVAL-AWEZNQCLSA-N	246.394	4.966	0	10	BJAE	
C[C@@H](CC(=O)c1ccc([C@H]2C[C@H]2C)o1)C(C)(C)C	2045557832	VPBXMRZYJZEEPB-WOPDTQHZSA-N	248.366	4.658	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H](C)CC(C)C)cc1C	2045561408	FVQULJQIWXRHIS-LBPRGKRZSA-N	246.394	4.867	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CC[C@H]2C[C@H]2C1	2045571317	SYDOSQVMHHCRSZ-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC1(N)CCC2(CCCCC2)CC1	2045656479	BDEACQNUPWIWJU-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@H]1CC(C)=C[C@@H](C)C1	2045763556	JPUIRBADNARROM-KBRIMQKVSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@@H]1CC12CCCC2	2047031673	ZHZPMRXDIFVPTJ-SQWLQELKSA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@H]1CCC12CCC2	2047938894	JMSPPTAITLWIHN-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048470459	QCHCOARQKJBETL-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CC2)[C@@H]1CCCC(C)(C)C1	2049542406	DGEJIDXEVFASKF-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CC1(C)[C@H]2C[C@H](NC3CCCCCCCC3)C[C@H]21	2049682633	WRKNIHHZTXVDOA-PHZGNYQRSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccc([C@H](O)CC2(C)CCCC2)cc1	2049791087	BPUYDOAHKXYHBO-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@]1(C)C=CCCC1	2049992722	QBCGHDYETIJCTK-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC[C@H]1CC)c1ccco1	2050528779	WWPLIJQAJKGGIZ-QLFBSQMISA-N	249.398	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC[C@@H]2CC[C@H]21	2052310632	ZYWPKSNCQBXPQO-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]([C@]2(CN)CCCCC23CC3)C1	2053418311	MBWZFUKDZFZYNI-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CC(C)c1ccncc1N[C@H]1CCCCC[C@H]1C	2053832785	GEXASRJHHTZUKR-HIFRSBDPSA-N	246.398	4.586	0	10	BJAE	
CC1([C@@H](N)CC2CC(C3CC3)C2)CCCCCC1	2056640474	PNNWOUDVSQRLIO-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCc1ccc(N2CCCCC2)cc1	2059225674	PKMYWNNLAWRMPN-NSCUHMNNSA-N	243.394	4.576	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1ccccc1CC	2059257109	UYKPJVVNDPKFKQ-BBOMDTFKSA-N	245.410	4.646	0	10	BJAE	
CCc1ccc(SC)c(C(F)F)c1Cl	2060056179	MXSDIIWZCWJKDE-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CCc1c(C(F)(F)F)ccc(C)c1C(F)F	2060347746	MFZGUEAINFSKIW-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC1(C)CCCC[C@@]1(O)CC1CC(=C2CCC2)C1	2061681822	DOEJVCYBKWLXRW-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](CC2CC3(C2)CC(C)(C)C3)C(=O)C1	2063209248	SUQNHXAIODTQFN-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@]23CCCC[C@@H]2C3)CCC1	2069339590	KXDLLCXCGBAURA-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC1([C@H](N)c2cccc(C(C)C)c2)CC1	2069521750	PFGLVXMHENSVDN-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1CC[C@H]2C[C@@H]21	2071224296	NYZUVQDBAPYPEL-JYJNAYRXSA-N	244.378	4.543	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@H]1C[C@H]1CC	2071510623	JRGMTUCISDKUHH-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1	2071915663	QLQMTMFJRPEKFC-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](c1ccccc1)C1(C(C)(C)C)CCC1	2071937434	AVLMSCJJBGERRN-HNNXBMFYSA-N	245.410	4.554	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1C)C1=CC[C@H](CC)CC1	2072096482	UDDVTGKXSQFTPL-YALNPMBYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)C(C)=C(C)C	2072421294	GCXZYPJCESCMDD-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@@H](N)C[C@H]2CC[C@H](C)CC2)C1	2072792850	DVXWUZOZOXFAMU-AYIQCDPPSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CCCCN([C@@H]2C=CCCCCC2)C1	2074795844	AMXDRRXARQBHBB-IAGOWNOFSA-N	249.442	4.633	0	10	BJAE	
CC(C)CN(C1CCCC1)[C@@H]1C=CCCCCC1	2074796486	IDVUGLUFHUHAFV-MRXNPFEDSA-N	249.442	4.776	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CCCC2(CCC2)CC1	2074900664	SBYBKQOERTWPID-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCCCC2)CC[C@@H](C)C1	2075364002	USTGEVZGUAZTJY-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCC3(CC3)C2)[C@@H]1N	2076396514	VIRHHIWCKPXTLQ-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCCN(CCC1=CCCCC1)C1CCCCC1	2076586997	PIASYSRCPWDRDL-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]1C1CCCC1	2079434514	HVDITBDTYYCCCW-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@@H]1C[C@@H]1C1CCCCCC1	2079522844	LGYVEGZGAJSSBB-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](N)c1ccccc1C(C)C	2079645253	PYJUOJJQWXNYKS-JKIFEVAISA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H]1C[C@H](C)Nc2ccccc21	2079669060	DYRVOEUTYRYJKW-YJNKXOJESA-N	243.394	4.801	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)[C@H]1CCCC2(CC2)C1	2079864870	NHRGAOZHFFLEFE-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC1(N)CC(C2CCCCC2)C1	2079885108	KBWRPAXPUQMEJI-NUWOQIAWSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)C1(C)C(C)(C)C1(C)C	2080249451	NDQSDCMGJWSJBB-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(F)(F)F)cc1-c1cccs1	2080294337	SVSCULJUPKJXRT-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
CCC1CC(C[C@@H](CCC2=CCCCC2)NC)C1	2084989043	NGFZJQQKJJKMAY-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCc1sc(C)cc1C	2209539489	VBKLXZYELPFKPR-UHFFFAOYSA-N	208.370	4.654	0	10	BJAE	
CCCN[C@H](c1cccs1)C(C)(C)CCC	2212117227	OAHKXWRNKWTSSS-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CC1(C)CCC[C@@]1(N)CCCCCCC1CC1	2213576103	MLUOHQFVTGYCJF-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H]1C[C@H]1[C@H](N)CCCCCCC1CC1	2213581849	BCTFYLRVHNPUJU-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CNC1CCC1)[C@H](C)CC	2217124655	JHJIBFRQSVDGGJ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCCC1	2218337838	ZPPIOOMIYXDYFF-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC(=O)C[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218375458	VEHNMWMHFFJRFL-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
Fc1cccc(CC/C=C/c2ccccc2)c1F	2219079059	UYHCBNOGUMYEDM-RUDMXATFSA-N	244.284	4.611	0	10	BJAE	
Cc1ccc(C)c(NCC2(C)CC3(CCC3)C2)c1	2221026712	YRQZSJCISFFCAZ-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CC1)[C@@]1(C)CC=C(C)CC1	2221632025	PEDIFTKRBHGGRP-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](c1c(C)cccc1C)[C@H](CC)C(C)C	2222014035	NPVCXEPLFSXWBA-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
C[C@@H]1CCC[C@]1(CNC1CCC1)C1CCCCC1	2223540603	ALVCJARLFOPPNK-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCCc1ccc(CCC)cc1	2243558757	ZADZTIZHOMDVTA-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cscc1C(F)F	2244785675	QZMCGEAYBKIRTD-LDYMZIIASA-N	247.354	4.512	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CCCC[C@H]1C[C@@H]1C	2247129156	MRGQUDMAJXPKNB-HRCADAONSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC1=CCCCC1)C(C)C	2247527937	QJSKSPZIJSGOBZ-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C[C@@H]1CCCC12CC2	2247612636	VMONWEFRVUQOIR-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
N[C@H](CC1CCCCC1)c1csc(C2CC2)c1	2248060508	GMUCKXMOVZDBMI-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
Cc1ccc(CNc2cc(C)c(C)c(C)c2)s1	2249497153	RBRPIBRXBKAWHQ-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)[C@H](CC)CCC	2250351313	BRMQBQDJIIAKLR-FJBKBRRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccccc1C(C)C	2250379717	UVILZMXHNWPWJH-CJNGLKHVSA-N	233.399	4.636	0	10	BJAE	
CC(C)=CC[C@@H](O)CC[C@H](C)CCCC(C)C	2250484040	BVKFFXQAHCYFAI-HZPDHXFCSA-N	240.431	4.946	0	10	BJAE	
CN[C@@H](CC[C@@H](C)CCCC(C)C)CC1CC1	2250487749	FGCPPJISYAZCAL-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)NC[C@]12CCCC[C@@H]1CC2	2251157978	LGWOVJFKDZETQD-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(C[C@]12CCCC[C@H]1CC2)C(C)(C)C	2251217312	QUQGKUPJSINEDZ-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1[C@H](N)CC[C@H]1CCCCC12CC2	2253821371	ZOUJBCRHGJZQLL-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
C(CNCC[C@@H]1CCCCC12CC2)CC1CCC1	2253892402	VXUHYAARQPCOJB-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC1(C)C[C@](N)(CC[C@@H]2CCCC23CC3)C1(C)C	2255327519	HKHCMGPUSGETTC-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@](C)(N)[C@@H]1CC12CCC2)C1CCCCC1	2256489256	NLZQKDMNDSIEER-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)Cc1ccc(C(C)C)cc1	2259434457	BUMIOPDAGGXULU-RDJZCZTQSA-N	247.426	4.506	0	10	BJAE	
CC(=O)c1ccn(CC[C@H](C)CCCC(C)C)c1	2259636518	RFYMVHCVOLZDOI-CQSZACIVSA-N	249.398	4.543	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CN[C@H]2CCC[C@H]12	2259679816	XOVCJINBWVQZKW-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1OCC1CC(CC(C)(C)C)C1	2261246994	MTKUECHBEAUALM-UHFFFAOYSA-N	246.394	4.836	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@H](C)CC1CCC1	2298918160	VNBAKJKBJVTHJQ-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H](C[C@H]2CCC[C@@H](CC)C2)N1	2300186058	XDDIUHKVBZFNJN-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CCC(CC)CC)C(C)C	2300684219	RQDVOAKSNPUVBT-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CCC(C)=CCOc1ccc([C@@H](C)CC)cc1	2300868148	VGETVGPBCUEFIQ-AWEZNQCLSA-N	232.367	4.935	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@@H](N)CC=C(C)CCCC(C)C	2300876664	IVTHPRLHULXUBS-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CC=CC[C@H]1CCC(C)(C)CC[C@H]1NCCC	2300903440	DVFGYJUTYJISGG-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@]1(N)C[C@H](C)[C@H]1C)CCCC(C)C	2300904225	MNLSMBYTHSYMQA-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CC(=CCC(=O)[C@@H]1CC[C@H]1C)CCCC(C)C	2300920828	KGOURDMMRSQXIY-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(O)CC1CCCCCC1	2301136351	WFTWCUGKESCNDI-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C)[C@H](CC1CCCCCC1)C(C)C	2301138544	XBMQHGINFZQYAV-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC1(c2nc([C@@H]3CC3(C)C)cs2)CCCCC1	2302263029	RGIHZOJBGVDMIE-NSHDSACASA-N	249.423	4.878	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@@H]1CCC(C)(C)C1	2302747718	GRGSTDIXQNJMMO-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)[C@@H]1CC[C@H]1C(C)(C)C	2303445658	SGQLQSMYRKHNQM-XJFOESAGSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)CCC1CCCCC1	2307831323	JNNJGROJGUKSHJ-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@@H](C)CC[C@H]1NC	2307902118	JWAPFLXCNDSOBL-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CN(CC(C)C)C1CCCC1	2307910079	WWIFFAHIPUJDLS-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312945183	WNGIGVFVLASGFE-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312949378	MRIUWMCLXSNMCB-AESZEHBQSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C12CCC(CC1)CC2	2316509769	JXVULANELNSMNC-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c([C@H](N)[C@@H](C)[C@H](C)C(C)C)cc1C	2317823358	IUJXFWYKEDXEQA-HLLBOEOZSA-N	247.426	4.540	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C[C@H]1CNc2ccccc2C1	2317998492	RPAOPPJYOQXBHF-SOUVJXGZSA-N	245.410	4.589	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC1C[C@@H]2CCC[C@H]2C1	2318937868	DPPUFTRFMZUFNT-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)N(C)Cc1ccccc1C1CC1	2319146384	YUIXRTIQHCWCSI-MRXNPFEDSA-N	245.410	4.575	0	10	BJAE	
CCCC[C@@H](NCC)c1cc(F)ccc1C1CC1	2319174263	SDTGHVCCHAFRKL-MRXNPFEDSA-N	249.373	4.544	0	10	BJAE	
O=C(CC[C@H]1CC[C@@H]1C1CC1)C1CCCCCC1	2319731948	XNKSCKUVQFUWAR-GDBMZVCRSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1N[C@@H]1CCC2(CCCC2)C1	2320178024	DPTWJKPOLZRBBX-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](C[C@H]1CCC(C)=C(C)C1)NC	2320326937	IWNGOVSDWMCIBW-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCCC[C@H]3C[C@@H]32)C1	2321603206	PKGUGQXPCVLMIA-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCN2C3CCCC2CCC3)C1	2321643507	XUNNKZLOQRRISP-QQFBHYJXSA-N	249.442	4.610	0	10	BJAE	
CCSc1ccc(-c2ccc(S)cc2)cc1	15441843	GWBKBPUMGOVCLN-UHFFFAOYSA-N	246.400	4.754	0	10	BJAE	
Cc1ccc(Cl)cc1NC1CCCCCC1	19997666	SNUFLVRYFIETAW-UHFFFAOYSA-N	237.774	4.783	0	10	BJAE	
CCCCCNc1ccc(C(C)(C)C)cc1	20015020	TVXVEQPJIDFAIZ-UHFFFAOYSA-N	219.372	4.586	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)CCC(C)C)cc1C	21514389	QAAZJCHCEBYZQB-HZPDHXFCSA-N	247.426	4.779	0	10	BJAE	
Cc1ccc(OCc2ccc3ccccc3c2)cc1	34514921	WREGHYPRBOXREW-UHFFFAOYSA-N	248.325	4.727	0	10	BJAE	
CCCCc1ccc([C@@H](CCC(C)C)NC)cc1	35492994	HTUKOKFBSHHRCD-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](NC1CCCCC1)c1ccccc1	37185983	LAJMIXNGWCXBSR-QGZVFWFLSA-N	245.410	4.840	0	10	BJAE	
Cc1cc([C@H](C)N[C@H](C)C2CCCCC2)c(C)o1	44729876	AQXSYEXSPSDBRM-OLZOCXBDSA-N	249.398	4.516	0	10	BJAE	
CC(C)c1ccc(Oc2ccc(Cl)nc2)cc1	62465970	UOABLBWPOZEBPR-UHFFFAOYSA-N	247.725	4.651	0	10	BJAE	
CCCCCCC(=O)C(C)(C)c1ccccc1	62772901	OTWULQJTHQIICH-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CCCCc1ccc(N[C@H]2CC[C@H](C)C2)cc1	80428163	LPSBRFOGTIXAFU-BBRMVZONSA-N	231.383	4.630	0	10	BJAE	
CCC[C@@H](C)COc1ccccc1C(C)(C)C	85151899	LIDWMCRYYNKUTF-CYBMUJFWSA-N	234.383	4.799	0	10	BJAE	
Cc1cc(F)cc(-c2c(C)cccc2Cl)c1	85731798	QWRYJFXVEQTTQB-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
CC(C)(C)NCCCCCC1CCCCC1	87474379	MGEQJTMQFGFZPA-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCC1CCC([C@@H](N)c2ccc(C)cc2)CC1	87962559	DQCQLRITKBJEBS-PREGVCBESA-N	245.410	4.601	0	10	BJAE	
c1ccc2c(c1)CCCC[C@@H]2Nc1ccsc1	90866262	JPNUCINBWZLGFE-HNNXBMFYSA-N	243.375	4.628	0	10	BJAE	
CC[C@H](C)C[C@H](CNC(C)C)c1ccc(C)cc1	93138861	RHGGYSQDYADRLF-WMLDXEAASA-N	247.426	4.513	0	10	BJAE	
CC(C)CC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	94546954	VYPFFYTYHKDBLA-JOHJCKIYSA-N	248.410	4.598	0	10	BJAE	
CC1(C(=O)c2cccc3ccccc23)CCCC1	94899306	CAZOJIBNVQBRKP-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)CCC(C)C)cc1	109785543	QQDMBTMYOSXGDX-CZUORRHYSA-N	234.383	4.670	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1NCC	112872320	YTCMPJXQUVGGKD-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1CCC(C)CC1	112886701	WKXVIEWWENKMKA-KNIAUWFNSA-N	240.431	4.780	0	10	BJAE	
CCCc1csc([C@@H]2CCC[C@H](CC)C2)n1	132080469	JLJZWRABXGUWCA-NWDGAFQWSA-N	237.412	4.779	0	10	BJAE	
CC[C@@H](C)C[C@H](C)N[C@@H]1CCC(C)(C)C[C@@H]1C	155977652	ZQNDYRHOSAAXET-CBBWQLFWSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)c1ccccc1Oc1ccnc(F)c1	156306561	VEIAVBVWXDSWDT-NSHDSACASA-N	245.297	4.527	0	10	BJAE	
O=C(c1cccc2ccsc12)C1CCCCC1	163206127	LTFSRDZWTXLTBG-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CC1CCCC1	168915367	BYGCWGIWPCAHFE-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCC[C@@H](CC)C1	226940739	QWSPMWRQDXSGBK-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H]1C[C@H]2CCCCCCCCCC[C@@H]12	227349212	WIIMFZBZHFZTGR-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1cccc(Nc2ccnc(Cl)c2)c1	227684986	ZDWDICWGAQHGSO-UHFFFAOYSA-N	246.741	4.602	0	10	BJAE	
Cc1cc(N)ccc1-c1cccc(C2CCC2)c1	229614890	BVEIPOWGJHAHFD-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)NCC(C)(C)C(C)C)c1	232781569	FVWIBSUEYRVHAS-OAHLLOKOSA-N	247.426	4.636	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@H]1CCCCC1(C)C	300281399	CNDUREMSCQMIAX-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)[C@@H]1CC1(C)C	300424509	FJWWJCWPCUOZJU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H](CCC)CCC1CCCCC1	302266725	QBGQCIICCHVFOA-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC(C)CC[C@H](C)NCC1CCCCCCC1	305937043	QHSVKNXAAROCAJ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)Cc1ccc([C@@H](O)[C@@H](C)CC(C)C)cc1	306103283	QRCNDHKNUJWUNO-YOEHRIQHSA-N	248.410	4.601	0	10	BJAE	
C[C@H](C[C@H](O)c1ccsc1Cl)C(C)(C)C	308355234	MAEGAXIJASGUFI-SCZZXKLOSA-N	246.803	4.507	0	10	BJAE	
Cc1ccc(-c2cccc(F)c2F)cc1Cl	309412174	YPDFKUDXZJPFQH-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
Cc1cc(F)c(NCCCC(C)(C)C)cc1F	309987917	ABUSNTCIBOUXIT-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
CCCCCC(CCCCC)N[C@H]1CC[C@H]1C	310320091	WJRWURNPJIGDER-ZBFHGGJFSA-N	239.447	4.904	0	10	BJAE	
CCCCCC[C@H](O)CC1CCC(C)(C)CC1	310451872	VVWLFRWBXZTIMR-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC2(C)CCCC2)C1	310497733	HFAXOGZEHGMRAQ-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1C1(N)CCC(C)(C)CC1	311120416	XJKRHABOUSHEKU-UHFFFAOYSA-N	245.410	4.564	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CC2(C)CCCC2)c(C)c1	311206639	JPRANPDYWDEOFH-HNNXBMFYSA-N	245.410	4.582	0	10	BJAE	
CCNC[C@]1(C[C@H]2CCC[C@@H](C)C2)CC=CCC1	317587311	OCBYRKIPABNKHD-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@H](C)[C@@H](C)CC	319436076	QOVBQBYPYKMNDU-SQWLQELKSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](c1ccc(C)c(C)c1)[C@H](C)[C@H](C)CC	319950430	CDFHMPAZYQCQNL-VMGRFDJRSA-N	247.426	4.636	0	10	BJAE	
CCC1CCC(CN)(CCC2CCCC2)CC1	379813964	NVCCIJYNIJPMBK-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
C/C(=C/Cl)C[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	380855459	DSRQZWPRCWPXOR-CYRCAWSMSA-N	242.790	4.551	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H]1CC2CCC1CC2	381703883	PGILTOTUDWESSJ-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@H]1CCCCC[C@H]1O)C1CCCCC1	383742114	CJNFEQCLMXGIOT-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccc2sccc2c1	386486320	XRFPCBREJJNCRV-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CC1CCC(NCCC2CCCCCC2)CC1	394560014	FPPFHONYYDGNDD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1cccc(Cl)c1	395115163	KTOKWKXORLOACY-JTQLQIEISA-N	225.763	4.577	0	10	BJAE	
CCOc1csc2cc(C)cc(C(F)F)c12	396234679	DXZNZWSLXGJBGZ-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCCC=C(C)C)CC1	397764975	YDVGVHROFNHPGF-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1ccc2sccc2c1	691863602	APYRNWPKWTZWSN-NHYWBVRUSA-N	247.407	4.727	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC2CCC3(CC2)CC3)C1	695702136	YIOJTOCXFWQFGM-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCC(C)(C)C[C@@H]1C	696676246	ANRASHYHYMPXTD-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCC[C@H](N)c1cccc2ccsc12	697805866	COYWDXXFKZIBSE-AWEZNQCLSA-N	245.391	4.648	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C1CC(C)(C)C1	701490404	VJADHCYWEIRWMP-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@]1(C)CN[C@H]1CCCC12CCCCC2	702009024	YFEFYPADNAFBEW-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](NC[C@]1(C)C[C@H]1C)c1ccccc1	704220765	CSPXEKNEJVHUOT-PVAVHDDUSA-N	245.410	4.554	0	10	BJAE	
CC(C)=CCC[C@]1(O)CC[C@@H](C)c2ccccc21	704898473	WZFRHCFQKLAARQ-PBHICJAKSA-N	244.378	4.518	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CCCC[C@H]2C)c(C)c1	704920464	BLHCZNVORIHPSC-DOMZBBRYSA-N	244.378	4.621	0	10	BJAE	
C[C@H]1C[C@@H](NCC[C@H]2CC=CCC2)CC(C)(C)C1	708807833	LPIMJESSJKDGEP-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C(=O)[C@@H](C)CC(C)(C)C)c(C)s1	709256560	ZXJNQGHSCZAIMJ-VIFPVBQESA-N	238.396	4.620	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2C[C@H]3CC[C@H](C3)C2)c1	710923162	DFUFVNUMVOUEJI-CLLJXQQHSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)CC)C(C)C	711296702	XWIDKCFIYNVWDS-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CC(C)(C)CC)NC	713240726	DHDLOLYDYMPQAJ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CC(C)(C)C(C)C)C1CCCCC1	713263435	AHJQBGMDYWMPQT-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	713350216	AWZICGNRMVQJKE-MLGOLLRUSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C\CCc1ccc(C(C)(C)C)cc1	713752233	KOAVNCRXSSYXBH-SREVYHEPSA-N	214.352	4.659	0	10	BJAE	
C/C=C/CCc1cc(C(C)(C)C)ccc1C	714554883	NVPUDLAFBCECRQ-VOTSOKGWSA-N	216.368	4.801	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC[C@@H]1C[C@@H]1C1CC1	714863040	ALBCCLBFAVDUJR-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H](NC1CCC=CCC1)c1cccs1	718129203	PTWHFKJLGIMCKZ-OAHLLOKOSA-N	249.423	4.534	0	10	BJAE	
C=C/C=C\CCC[C@@H](C)COCc1ccccc1	719590855	FYXGRRHTQAUWQV-YIEVGGLXSA-N	244.378	4.752	0	10	BJAE	
CCCc1ccc(NCCCCC2CC2)cc1	720134890	FEBKYJWSTUPSNV-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCC1(CNC[C@@H]2C(C)=CCC[C@H]2C)CCCC1	1650771641	PNZFWBSYIVYPIN-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](NCC1(C)CCC2(CC1)CC2)C1CCC1	1875732141	PLYQLVDHMVUVLG-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(=CCCC(=O)C1CC1)CCCC(C)C	1900866585	KTFHKBCMEVNGHC-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H](C)[C@@H](C)C(C)C	1901645339	XJUBVGMKUZDJII-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)[C@H](C)C(C)C	1901681955	JMQBMDYEIZRTCJ-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
Cc1sccc1OC[C@H]1CCC=CCCC1	1904930585	DKZSUOPHVNFLCS-ZDUSSCGKSA-N	236.380	4.572	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C[C@@H](C)C(C)(C)C	1905448751	ZBFBZEPGYKNBML-HZSPNIEDSA-N	227.436	4.602	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)C1CC2(CCCC2)C1	1912629929	YDHMAGLATALPRI-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@]1(CNC2CC2)CCCC12CCC2	1921608993	AULZDIOTBGHRIB-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@H]1C=CCCCC1	1925738256	TXJDHBDKZKPTQY-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)CCN[C@H](C)c1cc(C)cc(C)c1	1926179488	YGFXCPUYBNRGAA-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1926351828	CWIAWEGBBMACDO-XNISGKROSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CCCC(C)=C(C)C)NCC	1939110410	GLBXTABAWMVTAQ-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)c2ccsc2)CC1	1939899303	KHWXQWNUXYZIMX-LLVKDONJSA-N	236.380	4.537	0	10	BJAE	
CC1(Cn2ccc3ccccc32)CCCCC1	1940381516	YYTQCQNVWVYUAU-UHFFFAOYSA-N	227.351	4.612	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1CC1(C)CCCCC1	1940416355	QJWORFHCKPIHJW-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C[C@@H](N)CCCC1(C)CC1)C(C)(C)C	1940874791	HDKSBNJVMAQVGL-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCC1(NCCC[C@H]2CC2(C)C)CCCCC1	1940875339	XPNZBMOCQULXHA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CCC[C@@H]1CC1(C)C)NCC	1940877016	OGJRYHPGJMPUTF-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](C)c2cccc(N)c2)C1	1940976668	OJVBZGRXHCBVGW-MCIONIFRSA-N	231.383	4.589	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1cccc(C(C)C)c1	1941247505	FCNIAARXDUUDCI-HZPDHXFCSA-N	234.383	4.526	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CCC[C@@H]1CC1(C)C	1941251711	MLPOZTNOKFFKOB-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCCCCC2CC2)C1	1941590907	GIBDTUHQDHWIRX-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)c1ccsc1	1941820151	XNVGVKGDUKDRDG-HNNXBMFYSA-N	249.423	4.535	0	10	BJAE	
C[C@H](C[C@H](O)CC1CCC=CCC1)C(C)(C)C	1941825220	GBSOBCFARMVODJ-HIFRSBDPSA-N	238.415	4.556	0	10	BJAE	
CNCC1(CCCCCC(C)C)CC(C)(C)C1	1941986136	UDJCAVSWXRBNAN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(O)C(C(C)C)C(C)C	1942659669	OGXNQJZYGIEZAN-HOCLYGCPSA-N	242.447	4.738	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NC(C(C)C)C(C)C	1942787037	FAMDBIZGXCFYQX-GJZGRUSLSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)CNc1ccc(C2(C)CC2)cc1	1944595954	JBVWMVMAQFIKCD-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@@H]1CCC[C@H]1C	1944858757	GDKSLLFJWWEORQ-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](N)CC1CCC(C(C)(C)C)CC1	1946687855	PYVPHPBQEDENBH-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(N[C@@H](C)[C@@H](C)CC(C)C)ccc1F	1948326267	KMNRZZWXDJYTIQ-AAEUAGOBSA-N	237.362	4.617	0	10	BJAE	
CC(C)CC(C)(C)N[C@@H]1CCC2(CCCC2)C1	1948674214	MYODFLLLBJLIFD-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CCC1CCCCC1	1948932266	IVARDYHHIZDLIR-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@H]1C=CCCCC1	1949119717	HVIFZYXBSQWJBK-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CC=CC[C@H](CC)c1ccc(OCC)c(OC)c1	1951308706	LXRLNYSZIAXFNJ-ZDUSSCGKSA-N	248.366	4.554	0	10	BJAE	
CCC1CCC(N[C@@H]2C[C@@H]3CCCC[C@@H]3C2)CC1	1966046095	NUVKTDRVVJTEOR-IKIPUTRUSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)N(C)Cc1ccccc1CCC	1966326579	NQUMHGRKCWGUSQ-OAHLLOKOSA-N	247.426	4.650	0	10	BJAE	
Cc1cccc(N[C@@H](C)C2CC3(CCC3)C2)c1C	1968255271	UQULOLWXCQRHRZ-AWEZNQCLSA-N	243.394	4.684	0	10	BJAE	
Clc1ccccc1NCC1[C@H]2CCCCC[C@H]12	1968257584	YLAZKMDNUNUKEJ-RYUDHWBXSA-N	249.785	4.578	0	10	BJAE	
CC1(C)CCC[C@H](CN2CCCCC23CCC3)C1	1969942113	MNTBKMGOHCPFFF-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@@H](C)CCC(C)(C)C	1970302354	HRYISYDNGLQQSS-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)CN1CCCC[C@@H]1CCC	1970607217	TZFUAQBPSMOYLL-CVEARBPZSA-N	239.447	4.857	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](CCC(C)C)C1CC1	1970829283	PRMLWSMBMADEBT-HOTGVXAUSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@](CC)(CNCC)CC(C)=CCl	1978640470	WTOWFTFYCMOIES-CQSZACIVSA-N	245.838	4.715	0	10	BJAE	
CC[C@@](N)(CCCC(C)(C)C)CCC(C)C	1986939184	RMPIIBISSSLNSH-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CC[C@H](C)CN(CC)CCCCCC(C)C	1990847492	ZXEDHVNVDYWDKM-HNNXBMFYSA-N	227.436	4.571	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@H]1CCCC(C)(C)C1	1994026368	PKJJANXSELXCKB-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
C[C@H](NCCCCC1CC1)C1(C)CCCCC1	1995986477	FMFMRTXZGFJFNM-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@@H](C)C2)C1	1996232575	QAIHWDLWFDOVRD-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CC[C@@H](C)C1)CC(C)(C)C	1996237748	MKADGXBNVPNNQK-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
C[C@H](C[C@@](C)(O)CCC1CC1)C1CCCCC1	1996370550	YSWFXLDCIRMLDC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)C1CCC(C)CC1	1996546207	HRDSNFUVTFHHKI-GQKFXUNGSA-N	239.447	4.616	0	10	BJAE	
CCC/C=C/CN[C@H](C)C1CCC(C)(C)CC1	1996546491	KRLKSDHHXUINLT-HSBSLETESA-N	237.431	4.537	0	10	BJAE	
Cc1sccc1C(=O)C[C@H]1CCC=CCCC1	1999981852	SRURCHSKBCRYCF-ZDUSSCGKSA-N	248.391	4.766	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1[C@@H]2CCCC[C@@H]12	2000214774	IKWKQPJPQHVLCE-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)c1cccc(Cl)c1	2000294318	RGDCERBNYKBIDU-BXUZGUMPSA-N	248.753	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1(C(C)C)CCC1	2000376204	KWMNPDBTOLDTTD-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2C=CCCC2)C1	2002993339	KDJKVAIXECTXIP-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC1(C[C@H]2CCCCCC[C@H]2N)CCCCC1	2003096741	ZTCVCBWPIAVCPP-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CC2(C)CCCC2)C1	2003179444	OKMRBQVPTDFRNX-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@H](C)NC1CCC(C)(CC)CC1	2004342602	UKQNBDLMXSNVAM-QQFBHYJXSA-N	239.447	4.904	0	10	BJAE	
CCC1(C)CCC(N[C@H](C)CCC(C)C)CC1	2004342721	VUKFWHQVZBHOQM-QQFBHYJXSA-N	239.447	4.760	0	10	BJAE	
CCC1CC(CC[C@H](N)CC2CCCCC2)C1	2007737883	JKBNVHXGRVKFGG-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCC[C@]1(CC2CC(CC)C2)CCCCCN1	2007812883	QUBJTAFUOULQTJ-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@H](C)C(C)(C)C	2009545159	XCMSPJDRXSNAEQ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCC(=O)[C@@]1(C)CCCCC1(F)F	2009566875	JVJKZGWGARPOPC-CYBMUJFWSA-N	244.325	4.518	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CCC(C)(C)C1	2009599247	XEKCJQQOYSIWAA-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](N)(CC)C1CC2(C1)CC(C)(C)C2	2012113066	MOGVPXYFBUPKPW-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC[C@](CCC(C)C)(CNC(C)(C)C)C(C)C	2012439296	FSEPJSLCJONALQ-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(F)cc1F	2013265291	VORMRYBFOCTCOL-GFCCVEGCSA-N	241.325	4.592	0	10	BJAE	
CC[C@H]1CCC[C@H](CC2CCC(C)(C)CC2)N1	2013523001	ZALJDBZASPNOFT-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CC1(N)CC(CC(C)(C)C)C1)C(C)(C)C	2014651491	BGEKGMYNUMADIP-VEAWUBTESA-N	239.447	4.602	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H](C)CC(C)(C)C)CC1	2015748009	WYXNJSUTXXDQEP-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C)CCC=C(C)C	2016150298	SDXMHTTWFJGZHD-HOTGVXAUSA-N	239.447	4.926	0	10	BJAE	
CC(C)C1(C[C@@H](O)CC2CCCCC2)CCC1	2017112044	IWMXCBNSPRIBHJ-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](N)CC[C@H]1CC[C@H](CCC)CC1	2017732268	ZRGFYJKEHCCCJB-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@H]2CC[C@H](C)CC2)C1	2017770354	UZSPJBHYQQUEFY-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCC1(C[C@@H]2C[C@H](C)Nc3ccccc32)CC1	2019002726	UTHAHXAMHAPPQD-STQMWFEESA-N	229.367	4.555	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@@H](CCC)CC(C)C	2020966040	NEFWPRUGPHHTJP-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCC(=O)[C@H](C)C[C@H]1C[C@@H]1C1CCCCCC1	2022554507	OUINBGBDWITHAS-VHDGCEQUSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CC(C)(C)CC2=O)CC1	2023636732	QCUTVWRTFRKPFG-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2CCCC(C)(C)C2)CCC1	2024093550	CLDCUTKMDAFFBF-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@H]1CCC(C)(C)C	2024120752	YXSSUBSWYXMXBD-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C1=CCCCCC1	2027517679	JOLNQBXUDLNQDS-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CCCCCC[C@@]1(CNC2CC2)CC=CC[C@@H]1C	2027925213	CTQHCLLPTZUZOP-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1cccc(C2CC2)c1	2028551749	JGQDQZCYIWSBHN-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C[C@H]1CC1(C)C	2028928988	BMTBYMOIHMBVSJ-AWEZNQCLSA-N	244.378	4.504	0	10	BJAE	
CC(C)CC[C@@H](C)Cc1ccc2c(c1)CCCN2	2029820423	JKHMEYDWXXFJHE-CQSZACIVSA-N	245.410	4.660	0	10	BJAE	
C1CCCC(N2CCC3(CCCCCC3)C2)CC1	2032381119	IBAZXWZKSFWNJY-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNc1ccc(C2(C)CC2)cc1	2032508268	CDFXIEHRERVXAU-KGLIPLIRSA-N	243.394	4.586	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H]2CCC(C)(C)C2)c1	2033389087	UKNKKOJSQHSUOX-HOTGVXAUSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC12CCC(CC1)C2(C)C	2033411358	CYGNQKPBBBYFEL-GJEMEMOUSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC(C1CCC1)C1CCC1	2035404766	RPRNFGIKMVKWJQ-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC([C@@]2(N)CCCCC23CCC3)C[C@H](C)C1	2035922857	HFZFVKPHZZFWAS-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@@](C)(O)[C@H](C)CC(C)C)cc1	2036377424	VQDAFQUQFXPJTA-PBHICJAKSA-N	248.410	4.529	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NC1CC2(CCCC2)C1	2036544477	WRTBDVQCNABPFX-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2C=CCCCC2)CC1	2037273729	YBGLCCPHOOGDII-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CCC2(CCCC2)C1	2037679640	SSWKTNMKURTKRE-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC1CC2(CCC2)C1)C1(CC)CC1	2038089385	GAXGUWGJMBGTNP-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC1CC1)NC[C@@]12CCCC[C@H]1CCC2	2038362319	FOKGWQYPWPXURW-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](N)[C@H]2CC23CCCCC3)CC1	2039077944	DIOIENMGTQHLJO-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)c1cc(C)ccc1C	2040726949	ZGHXCIDKMCXYHW-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2042349022	ZWPRIEMVGURJIR-WCVJEAGWSA-N	249.442	4.536	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CC(=O)CCC1CCC1	2042745560	WJCYHKOWYZBEMH-DZKIICNBSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2(C)CCCC2)cc1C	2045562141	OXBZOQCKHUQYJH-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CC(C)CCCC(=O)c1cc2cccc(F)c2o1	2045564377	CAAFWWXHLUCFJF-UHFFFAOYSA-N	248.297	4.581	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@@H]1CC12CCCCC2	2047005837	WIMVXVZEVYSTBL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@@H]1CC12CCCC2	2047014394	BNFRFFIUYDDXNF-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)C[C@H]1CC12CCCCC2	2047055318	JWAUUEBPUCJXEG-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048368594	AYZUQUPSPRZJFH-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC1[C@H]2CCCCC[C@H]12	2048442633	GJOJAKRQHCEUEZ-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@H]1[C@H]2CCCC[C@H]21	2048446958	OLVANGWVSOVSRO-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(NC2C[C@H]3CCC[C@@H]3C2)CCC1	2049678010	IRDDOTKJAJELDL-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@H]1NC[C@@]1(C)C=CCC1	2049978227	CBOBEBNWASHCPW-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]([C@H]1CCCC(C)(C)C1)[C@]1(C)C=CCC1	2049993141	UIMBNZBVULZCDR-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](NC)[C@@]2(C)C=CCCC2)C1	2049998652	WVBUTMQHNXBUJX-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CN(CCCC1(C)CC1)C1CCC2(CCC2)CC1	2051645805	OCGVFNAHPRJGGG-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CNC[C@]1(CCCC2CC2)CCCCC12CCC2	2053352948	XDJGZOPRSYXWSK-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)[C@H]1CCCCC12CC2	2053407397	NRISDLPYLUEPMP-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)[C@H]1CCCCC12CC2	2053418109	JWWDGBUKWDIICM-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CCC1(C[C@]2(CN)CCCCC23CCC3)CCC1	2053421802	YZVHGSNWHWRCGY-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
CCN[C@@H]1C[C@H](CC)C[C@@H](C[C@@H]2CC=CCC2)C1	2055040509	WHLJHYKJKZJHMD-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C=C(C)CCC2)CC1	2055548693	DEXLTDKACSWTKQ-IKGGRYGDSA-N	249.442	4.824	0	10	BJAE	
CC1=C[C@@H](N[C@H]2CCCCC23CCCCC3)CC1	2055851824	TUBSTHAJPYHJFK-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC1CCC(C)(CNCCC2=CCCCC2)CC1	2056538644	YSMWDCOCKYUCIW-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)[C@@H]1CC=CCC1	2056644712	FLBMJBWJLFBMIA-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CC1=CCCCC1	2056875759	KBUPAZQQBSYNCD-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
CCCC1CC(N[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1	2059397836	NYZURCXRRIHBDX-QTPCEWDRSA-N	249.442	4.514	0	10	BJAE	
CCCCCC1CC(N)(CC[C@H]2C[C@H]2C2CC2)C1	2059497375	MJMUOMGTXVEORD-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(Cl)c(C(F)(F)F)cc1Cl	2060076359	GYTCBUSQLLHZCK-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C1=CC[C@H](C(C)C)CC1	2061120448	XNUIPRWNZZHILO-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)[C@H](C)C1CCC1	2061144228	PRCHWHXGRSPWMD-KEYYUXOJSA-N	249.442	4.537	0	10	BJAE	
CC1CCC([C@](C)(N)CC[C@@]23CCC[C@H]2C3)CC1	2061601491	HTRZVVOFVYKXPX-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
OCC1(CCC2CC(=C3CCC3)C2)CCCCC1	2061694491	SAUFZXVHJVVMHX-UHFFFAOYSA-N	248.410	4.600	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C1CC(=C2CCC2)C1	2061738306	AQBHBVVCHRFFBL-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCCC1(C[C@H](NCC)c2ccccc2)CCC1	2069342807	SKUNPTLZGYGJSJ-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CC=CCCCN(C)C1CC(C2CCCCC2)C1	2069601267	ZFXXJDNYTTVFKG-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1C)C1=CC[C@H](CC)CC1	2071513422	ZZKAVSVEVWXFDE-NXNVCVFFSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CC[C@H]3CCC[C@@H]32)CC1	2072800797	HTYNFWIXMUSOCK-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@](C)(N)c1cccc(C2CCC2)c1	2072912488	KKLMRNFCNVRMMN-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCc2occc21	2073346067	LEINTTPHUHHWAQ-DZGCQCFKSA-N	249.398	4.606	0	10	BJAE	
C1CCC(CC[C@@H]2CCN[C@@H](C3CCC3)C2)CC1	2073791414	QZHKJXQIFVWZOG-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@@]2(CNC3CC3)CCCC[C@@H]2C)CC1	2074623985	MKMLYKCLZMKKNX-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@H]2CCCC23CCC3)C1	2074893623	VYCYOVDQJWGAPN-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@H](C)c1ccccc1	2074897928	ZBFHPEAAOLFNHZ-INMHGKMJSA-N	245.410	4.648	0	10	BJAE	
CCc1ccc(N(C)[C@H]2CCCC[C@@H]2CC)cc1	2074898300	BSTFHLZSCCZNBY-RDJZCZTQSA-N	245.410	4.654	0	10	BJAE	
CC=C(CC)[C@](C)(N)c1ccc(C(C)(C)C)cc1	2077109866	MXVRJGAJNJMPNE-KRWDZBQOSA-N	245.410	4.514	0	10	BJAE	
CC=C(CC)C[C@H](NCCC)c1ccc(F)cc1	2077197495	RDYRLTVPBCOBGV-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CC[C@@H](Nc1ccccc1C1CCC1)C1CCC1	2077262067	LBXBOEULVIQIDC-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1ccccc1C1CCC1	2077263989	HQOPJAYQTYZUCH-BBRMVZONSA-N	243.394	4.945	0	10	BJAE	
CC(C)(C)C(=C[C@H]1C[C@H]1C1CCCCCC1)CN	2079703173	SVQVWUJCEHDCHE-HOCLYGCPSA-N	249.442	4.524	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@]2(C)CC=CCC2)C1	2082980580	WNHSYTDYCQJQAD-PBHICJAKSA-N	248.410	4.908	0	10	BJAE	
CC(C)(C)C(=O)CCC1CC2(C1)CC1(CCC1)C2	2083613170	JUKUQMWDMSOKEZ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)CCCCCCC1CC1	2213534703	MJEVNGUIJGBTBM-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)CCCCC2CC2)C1	2214562884	LVPGJEORNYEVGL-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@H]1CC[C@@H]1C	2214958516	FFYQDMWCLUTVOC-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H](C)C2CCC2)CC1	2215821807	RIQDWGIQMXLABH-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H](C)NCC1(CC2CCCC2)CCCC1	2217149550	INHHWBPEVUIVAT-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)C[C@H]1CCC[C@@H]1C	2217153217	KMDQAYKECZOVES-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCCC1CC1)c1c(C)coc1C	2220037916	LCASIZWLXXKOHO-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@H]1[C@H]2CCC[C@H]21	2223132168	GXIGBTVDULKBCI-SCAQPMJSSA-N	248.410	4.742	0	10	BJAE	
CC1CC2(C1)CC(C[C@H]1C=CCCCC1)C2	2243001143	ZYEOEKTZJRPSCA-KXVRIMHRSA-N	218.384	4.949	0	10	BJAE	
Fc1ccc(C[C@H]2C=CCCC2)c(F)c1Cl	2243050313	OCFBVALWXUGFCL-VIFPVBQESA-N	242.696	4.517	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H]1CCC1(C)C	2243137713	LAGNNXPNWLTEOM-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
Clc1ccnc(-c2ccc3ccsc3c2)c1	2246171940	PNXAWUFMQXPILL-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC2(C)CCCCC2)C1	2246688576	UZASNRITJJSLHZ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1ccsc1C(=O)CC1CC2(CCCC2)C1	2246808680	POUJSXOEJXANFQ-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCC1(CC)CC(O)(CCCC[C@@H]2C[C@H]2C)C1	2247119964	BPXGEWRUGRYTGH-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H]1CCC12CCC2	2247445041	CFBYFHRNVBDIAY-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1=CCCCC1)NC	2247459393	WLAVJEITKSIUOU-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NC(C(C)(C)C)C(C)(C)C	2247754138	CAKBDHODAPLSGH-CHWSQXEVSA-N	239.447	4.616	0	10	BJAE	
CCC1(C(=O)CCCCC[C@@H]2C[C@H]2C)CCC1	2248866018	MUUFQWYETZLBMH-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)C1CCCCCC1	2250353319	TXOJHSWMQBKZFJ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)C[C@H]1C[C@@H]1C	2250526086	AETRLMOUIKSJKL-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CC1(C)C[C@]1(C)[C@@H](N)CC[C@@H]1CCCCC12CC2	2253839531	OBEXSXVJXXCMEO-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1CC2(CCCC2)C1)C1CCCCC1	2254082807	USMDNVSBKXQIMD-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@H](O)CCCC[C@@H]2C[C@@H]2C)c(C)c1	2254582014	HIRQQASSMHTRAY-YSVLISHTSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NCC[C@@H]1CCCC12CC2	2255289169	SWFVYPRNWZVAJI-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(-c2c(N)cccc2F)cc1	2256208573	VHHAWTAIJBYFTF-NSHDSACASA-N	243.325	4.588	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C1(C2CCC2)CC1	2257245897	CORPYIFNNJAIJS-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
Cc1c(F)cccc1NCCCCC[C@@H]1C[C@@H]1C	2257337957	GRGDCCJPJUJLKI-GXTWGEPZSA-N	249.373	4.762	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)c1cccc(C(C)C)c1	2259431209	OYBKKYXHGSITRI-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
CCCN[C@H](C[C@]12CCC[C@H]1CC2)C1(CC)CC1	2260606213	QFMPIBAXODUUIA-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
NC1(C[C@@]23CCC[C@@H]2CC3)CCCCCCCC1	2260672469	PERLSMZYVJWMAL-CVEARBPZSA-N	249.442	4.789	0	10	BJAE	
CC(C)(C)CC1CC([C@H](N)C[C@H]2C=CCCC2)C1	2261202492	QTWYXZYVXYAGQJ-SLTXQBBLSA-N	249.442	4.523	0	10	BJAE	
C[C@H](CC1CC1)[C@H]1CCCCCCCCC1=O	2298933393	QMLMNGAAXOHZRQ-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)c1ccoc1	2300680488	FBODQNSHAQJKBM-HNNXBMFYSA-N	237.387	4.537	0	10	BJAE	
CCC(CC)CC[C@](C)(O)C1(C)CCCCC1	2300690085	FIIFYPGZZBGXDE-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC(=CC[C@@H](N)[C@@]1(C)C[C@@H]1C)CCCC(C)C	2300876225	DGHYOYTWYYAFAO-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H](C)C(C)(C)C	2300878581	AOWNLXPVTFYCTL-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
C[C@H]1CCC[C@@](O)(CC2CCCCCC2)CC1	2301138666	YMGRZTUHSTZJCJ-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@H](C)[C@@H](C)C(C)C	2301868347	YPXCMMRINGNLKT-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](CCC1=CCCCC1)NC	2301943875	ASSROQWVVHETSH-DZKIICNBSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)CCCCCC1CC1	2302609620	GKFGJIPZQKELNP-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCC(N)(CCC)CC[C@H]1CC[C@@H]1C1CC1	2303154354	JTYLLYOEWPABAX-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1cccc(C(C)C)c1	2303717942	RIFFPYOIDHCPFO-MRXNPFEDSA-N	232.367	4.590	0	10	BJAE	
CCCC[C@@](O)(CC)CC[C@@H]1CCC(C)(C)C1	2304351901	MLEGUFUTKZWCLI-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)[C@@H](CC[C@@H]1CCC(C)(C)C1)NC	2304409308	HTDXTLSWZLBJSH-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@@H](CC)CCC(C)C	2307748382	YROULGOOJOFSEA-CVEARBPZSA-N	241.463	4.959	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1(C(C)(C)C)CCC1	2307898683	LZYKUYOEWPVUQB-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CCC1CC(C)C1)NC	2307911000	RBTXRZPBGSECIM-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](N[C@H]1C[C@@H]2CCCC[C@]2(C)C1)C1CC1	2308400772	PKULOZLVTJMJEM-MWDXBVQZSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(CC(=O)C[C@H]2CCC[C@@H]3C[C@H]23)CC1	2309964272	LSROMUVOFCWPRY-SASFAUDUSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC[C@@H]1C[C@H]1C)c1ccc(C(C)C)cc1	2311273731	OSXFEUHFWQSVBQ-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H]1C[C@H]1C1CCC1	2311487338	XOSAGRNUOKBLSN-WVVOIENYSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@H]1C[C@@H]2CC[C@H]1C2	2312907976	SNSAREQXHWVKBZ-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c(OC(CC2CC2)CC2CC2)c1	2313660793	LFDSHVNZMHTRSK-UHFFFAOYSA-N	244.378	4.651	0	10	BJAE	
CC(=CCN[C@H](C)[C@H]1CCCC(C)(C)C1)C1CC1	2315273902	URFCOCAYBFKXRG-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)C1CC(C)C1	2315880650	HOHMMMASKLFFFS-CXOJTPOUSA-N	245.410	4.965	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1coc2ccccc12	2316248761	RYHHZVHDLHQBAB-OAHLLOKOSA-N	245.366	4.649	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1ccc([C@@H]2C[C@H]2C)o1	2316251164	HILVPORQYPJBNQ-MRVWCRGKSA-N	249.398	4.619	0	10	BJAE	
CCc1cnccc1CC=C(C)CCCC(C)C	2316562463	BRZKEOJJHQWGTJ-UHFFFAOYSA-N	245.410	4.959	0	10	BJAE	
CC(=CCc1ccn(C(C)C)n1)CCCC(C)C	2316574018	RKBBQBKKYAYESR-UHFFFAOYSA-N	248.414	4.779	0	10	BJAE	
C1CCCC(NC[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316791436	NXSGJQSAMQJRTN-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC1CCCCCC1)[C@]12CCCC[C@H]1C2	2316884220	GQWARCCINKSHSK-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CC1CC2(C1)CC(CN)(CC1CCCCCC1)C2	2316919371	CWSVHDOUJWVRQY-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1ccc(F)cc1C1CC1	2317088473	CTHSMCNAZKZZGP-LLVKDONJSA-N	248.341	4.568	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H](C)[C@@H](C)C(C)C)c(C)c1	2317833980	GXLFAEYRJNZENQ-GJZGRUSLSA-N	246.394	4.723	0	10	BJAE	
CCCc1ccccc1[C@H](O)[C@@H](C)[C@@H](C)C(C)C	2317834525	KDRAYDFGZPWCGI-GRDNDAEWSA-N	248.410	4.601	0	10	BJAE	
C[C@@H]1CCC2(CC2)N(CCCC2=CCCCC2)C1	2318598280	QUUZWXKQIQQISQ-OAHLLOKOSA-N	247.426	4.532	0	10	BJAE	
CC1(C)CC[C@H](C=C2CCC(C)(C)C[C@H]2CN)C1	2319109740	CXGLITMGBGLRJP-HIFRSBDPSA-N	249.442	4.524	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H](C)C2CCCC2)CC1	2320425220	VWWKYEAVMKPNNH-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cc(C)ccc1C(C)C	2327656996	HLBTZTXAQYTBAL-MRXNPFEDSA-N	247.426	4.945	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cc(N)ccc2C)c1	2327795156	QNFAMHSATPSHNR-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
CCCCCCc1ccc([C@H](C)C[C@H](C)O)cc1	2327894698	VPXSOQKHLXUUGJ-CABCVRRESA-N	248.410	4.684	0	10	BJAE	
CCC[C@H](CC)CC1(N)CC2(C1)CC1(CCC1)C2	2328185832	NKLKDXGMCXQROY-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@H](C)Nc1cccc(C)c1	20519864	PYUPABYPNCNTSQ-AWEZNQCLSA-N	219.372	4.766	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cc(Cl)ccc1Cl	21514061	WXAWTQBEPBHZEW-IUCAKERBSA-N	246.181	4.840	0	10	BJAE	
CCC(CC)Nc1ccc([C@H](C)CC)cc1	36953604	KSJIXKXVJLKLSO-GFCCVEGCSA-N	219.372	4.801	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H](CC(C)C)c1ccccc1	37042763	GZRSFOUFRNJXRX-ZOBUZTSGSA-N	247.426	4.798	0	10	BJAE	
CCCCC[C@H](NCCC(C)C)c1ccccc1	37199847	YWLOPAFOWOMOFU-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CCCCC2)c(F)c1	37243978	PVNHGIBEBQSNMK-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)c1ccc(Cl)cc1	50400158	XIFSYOUWZMHXGO-SMDDNHRTSA-N	239.790	4.569	0	10	BJAE	
CCCC[C@@H](CC)Nc1cccc(OCCC)c1	69373409	ARRDBWSOIHKDOX-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC)CNCCC	71127238	QIINCULHCFCLJI-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCC[C@@H]1CC	71163231	BINWUADENAJRTR-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
CC(C)CNCCCCC[C@H](C)c1ccccc1	78783052	XKGBDMFEMGAJTN-INIZCTEOSA-N	247.426	4.596	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC(C)(C)C2)cc1	79971143	PLEHUGBKTCBPBH-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
CC(C)c1ccccc1Nc1ccc(F)cc1F	82715541	YMHMBTITAWGYPE-UHFFFAOYSA-N	247.288	4.832	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccccc2Cl)[C@@H]1C	82857371	YHLDQSLDVDMCCC-DMDPSCGWSA-N	237.774	4.577	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCCC[C@H]1C	83948800	XWKLEOVIRNMNQC-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@H](C)[C@H](NCCC)C(C)C	86169414	HBMIIPQJUIPZFR-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)CC[C@H](C(C)C)C3	87818849	YTKFGKMOPMMIPK-ZDUSSCGKSA-N	241.378	4.546	0	10	BJAE	
CC(C)(C)Sc1cc(-c2ccccc2)ccn1	96334756	HNHHBGRUVWBLMN-UHFFFAOYSA-N	243.375	4.639	0	10	BJAE	
CCCOc1cc(C)ccc1N[C@@H](C)CC(C)C	103988750	OOVPVJLDFRWOPA-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1ccc(C)cc1	109718322	RDTCGCOUVJLTQP-ZBFHGGJFSA-N	233.399	4.601	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@](O)(CC)c1ccccc1	111745569	UHBNQAIQOBSSFT-USXIJHARSA-N	246.394	4.501	0	10	BJAE	
CCC(CC)C(=O)c1cccc(C2CCC2)c1	128735927	BJLMWCGQHHHYQT-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC[C@H](NC1CCC2(CCCC2)CC1)C(C)C	129351036	CSOOEIQVYBZECE-HNNXBMFYSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)[C@@H](O)[C@H](c1ccccc1)[C@@H](C)CC	131728563	DVIMOOXYQMDQCV-RRQGHBQHSA-N	248.410	4.613	0	10	BJAE	
CCCN[C@@H](c1ccc(C(C)C)cc1)C1(C)CC1	156398828	LYLKCGSBJRLATE-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](CC1CCCCCC1)NCCC	158236400	AMNCLWKAYZKFGP-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@H](C)C[C@H](CNCC(C)C)C(C)(C)C	162419667	BQQZHAOEFZCUIV-HUUCEWRRSA-N	241.463	4.721	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCCC(C)C)C1	165712648	ARYRRCLXWADMBV-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](C[C@H](O)CC1CCCCC1)c1ccccc1	203687634	FSJMHCXREDOYBT-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
C[C@H]1CC[C@H](C(C)(C)CCC(C)(C)C)[C@@H](N)C1	222570683	OWHRGWGGDUMWSQ-IHRRRGAJSA-N	239.447	4.602	0	10	BJAE	
CC(C)C1CC(Nc2ccc(C(C)(C)C)cc2)C1	232540664	CLMMSBSLJWIMHI-UHFFFAOYSA-N	245.410	4.831	0	10	BJAE	
CCCCCC[C@H](O)C1=CCCCCCC1	232962747	MCRRRFUADMMYCZ-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@H](C)c1ccccc1	232967115	VRICPBFVTDNRHT-NVXWUHKLSA-N	247.426	4.739	0	10	BJAE	
CCCC(C)(C)NCC1CCCCCCC1	300923722	ZVJQAGOVFQPQNY-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CCC2CCCC2)C1	305907279	DGQPUNJEFUQKDP-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CC1CCC1)NCC	308046474	HOHPHGKLSIZCRX-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1ccsc1Cl	308351207	AZCMHHXTBSIYMA-JTQLQIEISA-N	246.803	4.651	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@@H](C)CC(C)C	310101007	KUTGXFFNABRIMC-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(CC2CCC(C)(C)CC2)C1	310384384	HLVWIJREPYKUCA-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C(C)(C)C1CCC1	322481707	UHDLXTRCPLPHQK-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)C)CC(C)(C)C	379605255	BDYZCHIRDQLDLI-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@@H](C)C1)C(C)(C)CC	380112760	ZXCRGEWMLXURFJ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](c1ccc(CC)cc1)[C@H](C)CC(C)C	381066851	YYMZKAQMCCPFMP-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CCNC[C@@](C)(CC)CCCCCC(C)C	383242645	IZRNKFWKTUBHKK-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CN[C@@H]1CC[C@H](C)C[C@H]1CCCCCC(C)C	383414143	XWHDGCCDILTBPZ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H]1CCCC[C@H]1C	384519025	JKGASNLECXVAGQ-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H]1CCCC[C@@H]1C	384533810	MTAADPKEIMJEFD-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(C[C@](C)(O)CC(C)(C)C)cc1	384566917	INSPSTUVDMBWFM-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
Cc1cccc(NCCC2=CCCCC2)c1C	385060681	UGRFMJGZKUQEPD-UHFFFAOYSA-N	229.367	4.606	0	10	BJAE	
C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)C1CCC1	386020432	WZGXJAIBAYTARD-BBRMVZONSA-N	245.410	4.552	0	10	BJAE	
CC(C)CCCCNCC1(C)CCCCCC1	394662801	SPNKXWQFGPQHFF-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)NCCCCCCC1CCCCC1	395104033	VQEHOTDOFXUMMJ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC(C)CC[C@H](C)NCCCC1CCCCC1	395180928	FDZIPWOJFPGYJL-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CNC[C@H]1CCCCC[C@@H]1CCC1=CCCCC1	395318256	KEUPBIMAZXIOIK-IAGOWNOFSA-N	249.442	4.683	0	10	BJAE	
CCc1cc2cc(C(F)F)sc2cc1CC	396164294	AKCOQYJOKUAXHR-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1ccc2c(CC)csc2c1SC	396177979	OWFUTGYDZSRFQJ-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCOc1ccc2sc(C)cc2c1C(F)F	396257592	YNPQTJLITOZJGR-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1sc2ccc(F)cc2c1C(F)(F)F	396295378	JGCOOIBPDXEUPU-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCCCCCC(=O)C[C@H]1C[C@H]2C=C[C@H]1CC2	402214037	OLGPKSHVNWRXNU-SOUVJXGZSA-N	234.383	4.518	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C[C@@H]1CC=CCC1	402377017	VXHYRSSJTRUHFB-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C(F)F)c(Cl)cc1C(F)F	575676876	MYHZPOJYRJVXCG-UHFFFAOYSA-N	226.600	4.524	0	10	BJAE	
c1csc(S[C@@H]2CCc3ccccc32)c1	683738166	MLGBVLMEWBEEKI-GFCCVEGCSA-N	232.373	4.528	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1(CC)CCC1	687585143	MIHNZJXGRILSHK-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
Cc1c(Cl)cccc1NCCCC1CCC1	688371462	MFBNXARSSPZNOQ-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCC[C@H](C)Nc1cccc(C(F)(F)F)c1C	689653570	HEBJBZDGQYBUSU-VIFPVBQESA-N	245.288	4.614	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@@H](C)C1CCCCC1	696176482	JITKMAWQOSQLKP-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCCNCC1(CCC(C)(C)CC)CC=CC1	696737267	SRYJPHIDRJAAIC-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1cc2cc(C)ccc2o1	697580381	HCHRANBJHZOZRJ-CQSZACIVSA-N	244.334	4.521	0	10	BJAE	
CC(C)=CCCOc1ccc(C(C)C)cc1	697784393	MJBUNGAMBHWSQE-UHFFFAOYSA-N	218.340	4.545	0	10	BJAE	
CC1CCC(C[C@@H](O)[C@@H](C)CC(C)(C)C)CC1	704614424	RRHYWUWRZZFWAA-OOJKYFRXSA-N	240.431	4.636	0	10	BJAE	
CCCCC1CCC(N)(CC2C[C@@H]3C[C@H]3C2)CC1	704658719	ICNFXEYBRFEEQG-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@@H](C)CC(C)(C)C	708254705	MQBAQRISJVEJBO-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@H](C)CC2CCC2)c1	710196971	QLOXZRNFCJJXRH-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
CCC[C@@H](CNC(C)(C)C)C[C@@H](C)C(C)(C)C	711178201	XVZIHUOAXYFDMZ-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CC(C)(C)CC[C@H]1C	713064135	HQSKLBBOSDRUHB-IUODEOHRSA-N	249.373	4.761	0	10	BJAE	
C=C/C=C/CCC(=O)c1cccc(C(C)(C)C)c1	713697897	ZYFONPJQDXHZBH-VOTSOKGWSA-N	242.362	4.689	0	10	BJAE	
C=C/C=C/CC[C@@H]1C[C@H](C)CC[C@@H]1CNCCC	713713215	YUADCCLXBBZOOY-SKPMUFQZSA-N	249.442	4.561	0	10	BJAE	
CCN[C@@H]1c2cc(C(C)C)ccc2[C@H](C)[C@@H]1CC	714342496	GQMMBWXZDBNQMS-IFIJOSMWSA-N	245.410	4.604	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@@]1(C)C[C@@H]1C	714614285	QSJCQTDAMQHZJN-SUMWQHHRSA-N	245.410	4.578	0	10	BJAE	
C1CCCCCC(N[C@H]2CC23CC3)CCCCC1	715281080	DCLZJLGLPSRBTI-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CC1(C)CC[C@H]([C@@H]2C=CCCCCC2)C(=O)C1	717536904	XVKYZTOSHDYGFD-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CC(C)=C(C)CC/C(C)=C/CCNCC(C)C	718622744	DKJIWURRZNYCRR-OVCLIPMQSA-N	237.431	4.705	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCCCCC1(C)C	719243548	WVKRAGILVFSWJL-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CSc1ccc(N[C@H]2CCCC3(CC3)C2)cc1	723602519	ICHGHUIPNQRJCN-ZDUSSCGKSA-N	247.407	4.543	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@@H](C1CCCCC1)C1CC1	723984651	XUXPFXWYUSMDMM-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)c1ccc([C@H]2CCCCC2=O)cc1	725426199	FBZJFZVRUKRWPT-OAHLLOKOSA-N	244.378	4.601	0	10	BJAE	
CC[C@@H](C)CS[C@@H](C)CCc1ccccc1	1165831970	BWWRZIJBEXMABC-KGLIPLIRSA-N	236.424	4.787	0	10	BJAE	
CCC(CC)N(C)[C@@H](C)c1ccccc1Cl	1257302673	DLLPJWQCRQDWTD-NSHDSACASA-N	239.790	4.521	0	10	BJAE	
C[C@@H](CSc1ccc(Cl)cn1)C(C)(C)C	1458898080	FARCJIPVCFFXJU-VIFPVBQESA-N	243.803	4.509	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@@H]1CCC12CCC2	1875438183	VJTDHFCLTRXCDY-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CC=CCCNCCC	1884964172	WMVWUKOINGJEJR-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
Cc1cc(-c2ccccc2C2(C)CC2)cs1	1901900499	BMZMNODMEHNVHE-UHFFFAOYSA-N	228.360	4.775	0	10	BJAE	
CC(C)CCCCCC[C@H]1CCCC[C@@H]1N	1902107861	CMYBTFGNFJXCEH-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
Cc1sccc1OCCCCCCC1CC1	1904942203	HBWVIMZSTGDNHX-UHFFFAOYSA-N	238.396	4.796	0	10	BJAE	
Cc1ccc(C(C)C)c(CC2=CCCC2)c1	1905153959	WEQIDPZZLZOZMF-UHFFFAOYSA-N	214.352	4.771	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)C(CC)CC	1905433445	GSJVVYMUSQNJQK-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H](C)CCCC	1911984982	LDXPSMADEFNURM-CVEARBPZSA-N	237.431	4.703	0	10	BJAE	
CC=CC[C@@]1(CNC(C)(C)C)CCCC[C@H]1C	1912085017	GRPNGGQMVBKEHF-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@](C)(N)c1sccc1Cl	1920193677	LVCNHGZMFAZWCI-GFCCVEGCSA-N	245.819	4.546	0	10	BJAE	
CC[C@@H](C)C[C@](C)(CNC(C)C)C1CCCC1	1924074873	IJKPNEIIPIYIFA-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H](C)C1CCCC1	1924097281	JHWZZUVOSKYBCU-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@H]2C=CCCCC2)CC1	1925945229	KDOBERMFOFRJGM-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CCCC1CC1)CC(CC)CC	1926152925	OTMJOFHCUQWZQI-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](O)C1CCCCCCCCC1	1938722198	JIJUQZBOIQQKRT-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(=C[C@H](C)C1CCCCC1)CNC(C)C	1940182073	RIRGFFKUNSJENR-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@]1(CC2(C)CCCCC2)CCCCCN1	1940407077	IDCKFOVGJUUGGA-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CCCN[C@@H](CCC1(C)CCCCC1)C(C)C	1940414422	JFBZPWFZGRCDAT-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1ccccc1C(C)C	1940616686	QPBBSMWNHOXNCD-XEZPLFJOSA-N	234.383	4.526	0	10	BJAE	
CCCNCC1(CCCC2(C)CC2)CCCC1	1940862826	JESQLKKQMLMFSU-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](O)C1=CCCCCC1	1941253855	XMFGIPCDSSGJCA-HOTGVXAUSA-N	238.415	4.556	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(CCCC2CCC2)C1	1941461606	HUNYZDYXRPMSTL-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1CCC=CCC1	1941793154	GIWMEEWDYNQHMJ-HNNXBMFYSA-N	236.399	4.764	0	10	BJAE	
CC(C)CC[C@@H](C)CC[C@@H](O)c1ccccc1	1942654329	ZMWRCPZFHRYMNI-GDBMZVCRSA-N	234.383	4.573	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)CC1CCCCC1	1944639080	BCRGGQXDAMHQDM-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(O)CCCCCC1(C)C	1944871744	ZMHMPUZXJYTIJP-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCC(F)(F)CC1	1948123321	YHYOIRQVKIKLFF-QWHCGFSZSA-N	247.373	4.513	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](N)CC2=CCCC2)s1	1949034361	VRJUZGGKPJDBOR-LBPRGKRZSA-N	249.423	4.546	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@H]1CCCC(C)(C)CC1	1950913807	KOPYXWZFFYZECW-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC1CCC1)NC1C[C@H]2CCCCC[C@@H]2C1	1965990826	CFAZXADNJHXRRJ-FVQBIDKESA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1CCC(C)(C)C1	1968270791	NURCYUBAQNLWSD-AWEZNQCLSA-N	232.367	4.509	0	10	BJAE	
C[C@H]1CC[C@H](COc2cccc3ccccc23)C1	1968275456	KYOYELMBRJYUKU-KBPBESRZSA-N	240.346	4.655	0	10	BJAE	
CCCC(C)(C)CN[C@H]1C[C@H](C)c2ccccc21	1973170840	LZGOFQRWAYDJFC-BBRMVZONSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H](C)CCC(=O)c1ccccc1Cl	1980685568	SSIWPOPNKAEXGD-LLVKDONJSA-N	238.758	4.739	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCC1(C)C	1987945638	CDDHNSSEFPGKIB-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC(C)Cc1csc([C@H]2CCCC2(C)C)n1	1995450119	UUAVBLMICFQJDB-GFCCVEGCSA-N	237.412	4.635	0	10	BJAE	
CC[C@@H](C)Cc1coc2c(C)c(Cl)ccc12	1995463247	HMMFLPVKGWTLDJ-SECBINFHSA-N	236.742	4.983	0	10	BJAE	
CCC/C=C/CNc1cc(CC)ccc1CC	1995866605	DOHYKSJYBBFPDI-CMDGGOBGSA-N	231.383	4.580	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@@]1(C)CC=CCC1	1997587340	BVHHJGVGKQGYQY-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@H]1C=CCCC1	1998379206	BWCQSJYKDNTANT-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CC[C@H]1CC	1998762879	DXACQVYPSRQYDO-OAGGEKHMSA-N	237.431	4.514	0	10	BJAE	
Cc1csc(C(=O)C[C@@H]2CCC=CCCC2)c1	1999983808	QCSWPLCFXROXBI-CYBMUJFWSA-N	248.391	4.766	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@@H]1CCCC(C)(C)C1	2000143863	REDJYOCJPSSVBS-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)C1(C(C)C)CCC1	2000333421	NVORONGWEHIBRB-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C1(CCC)CCC1	2000390216	LHDMYCOLWPQVAU-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H]1CCCC2(CC2)C1	2003217415	JTUDVDGYJFJVNV-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CC(C)=CCC(=O)c1cccc(C(C)(C)C)c1	2004193257	FFVPOLYQOIIQPV-UHFFFAOYSA-N	230.351	4.523	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC(C)(C)C1CC1	2004225078	BKICXTLYAIXELS-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@]1(C)CCCN(C[C@H](C)C(C)(C)C)CC1	2004340135	XEEJXGZEPAHMQR-GOEBONIOSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC1(O)CCC(CC)(CC)CC1	2004353297	PAUOJVUKNCSGQS-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@H](CC)[C@@H]1C	2004713106	WNMPCVALTXHLOE-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@]1(CN)CCCCC12CCC2	2005600449	IIHFCBQRRNYKFS-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC(C)CCN(CCC(C)C)[C@@H]1CCC[C@@H]1C	2006741639	HLRAKZQGRAUNQS-JKSUJKDBSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1CCC[C@H]1C(C)C	2007615506	JWVQAPDGJWNXIB-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)c1csc(C)c1	2007944647	QRQVPJUJQHFRCR-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
C[C@H]1CCCCCCN1[C@@H]1CCCC(C)(C)C1	2008103791	LHGPWYWCULHKIK-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
CCCN[C@H]1CCC(C)(C)CC[C@H]1CC(C)C	2009405444	ZASIPUAAFXSFSM-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CC[C@@H](C)CCC2=O)C1	2009411010	MTVNRFZKKOENHO-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(C)([C@@H](O)CCC2(C)CC2)CC1	2009542170	VIEUOCQDJMIRTJ-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@@H](CCC)CC(C)C	2009628037	LUQCKNBIPVJPDM-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCCCC1CC(O)([C@H]2CCC[C@H](CC)C2)C1	2009714260	NLXUYUXARBJKKU-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CNC12CCC(CC1)CC2	2012829753	KWELFZPKEVTERW-FHERZECASA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@]3(C)C[C@H]23)cc1Cl	2013055346	FALXVHQKVMHQKF-YUELXQCFSA-N	249.785	4.503	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)C1CCCCC1	2015270730	LFSZZWYNPSDGJE-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](CC2(CC)CCC2)NC)CCC1	2015597988	ODLGOQOCBHLJGV-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1(CC(C)C)CC1	2016149252	HOYPAONWKJNOAV-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)C1(CC(=O)CC2CC(C)(C)C2)CCC1	2017126244	YNTHIZVEOIGBPP-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CNCC)CC(F)=C(C)C	2017463349	JNSXWALBMCCOOH-HNNXBMFYSA-N	243.410	4.836	0	10	BJAE	
CCCC1CCC(C[C@@](N)(CC)CCC)CC1	2017728238	JCHNHIKWWHCLPC-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)C[C@@H]1CCCC(C)(C)C1	2019386123	QYESNGBHCYMILP-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1ccccc1C1CC1	2021026308	QAKFMJWCXGBWFI-SWLSCSKDSA-N	229.367	4.555	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1C[C@H]1C1CCCC1	2022453047	BXGWXRUVROCYJZ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(O)C[C@H]1C[C@H]1C1CCCCC1	2022453440	GFPYTFLUBSSKHP-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CCCCC(C)(F)F	2023321330	DLBBYPUOLQYLEB-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
CC(=CCCCCC(C)C)[C@H]1CC[C@H](N)CC1	2023552636	XNGMLVNBRBEKTM-WKILWMFISA-N	237.431	4.667	0	10	BJAE	
CC[C@H](CC1CC(C)(C)CC(C)(C)C1)[C@H](C)N	2024100495	CWIWRAHCTAUKLD-GXTWGEPZSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCCNC12CCCC2	2024624469	QXQDRYUIEHXMSJ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC1CC(CCN[C@H](C)CCC(C)(C)C)C1	2025374425	FXGGLQBFZBNMLU-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CC[C@H](C(C)C)C1	2025574767	MJVWGYPPXRREDP-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1ccccc1C	2026168231	YOJUWILMIJGCHF-CJNGLKHVSA-N	233.399	4.601	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CCCC1CCC1	2027517164	DKUWIDUWLLRBMD-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1ccccc1C1CC1	2028559706	JIQBUKRDOSGGHM-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CCN[C@H](C1CCCC1)[C@]12CCCC[C@@H]1CCC2	2031762373	XQKNAYHCQUSHHC-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(N[C@@H]2C[C@@H]3CC[C@@H]3C2)cc1	2034572562	SROBQQWNLAZBCQ-QLPKVWCKSA-N	243.394	4.630	0	10	BJAE	
CCc1occ(C)c1C(=O)C[C@H]1CCC[C@H](C)C1	2035538114	LZUHDKRFQHWZED-AAEUAGOBSA-N	248.366	4.550	0	10	BJAE	
CC1(C)CCC(C[C@]2(CN)CC23CCCC3)CC1	2036104462	HKIZEOAPRPLADY-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
CCCc1ccc([C@](C)(O)[C@@H](C)CC(C)C)cc1	2036377426	VQDAFQUQFXPJTA-WMLDXEAASA-N	248.410	4.529	0	10	BJAE	
CCCc1ccc([C@@H](N)C(CC)(CC)CC)cc1	2037054428	SDWJWWMTDVWDBA-MRXNPFEDSA-N	247.426	4.855	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)c1c(C)cc(C)cc1C	2037146544	IOTOBZRBMFDLFU-QGZVFWFLSA-N	245.410	4.532	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(CCC2=CCCCC2)C1	2037171042	BBQYNJWUCNESLF-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CNCC1([C@@H]2CCC3(CCCC3)C2)CCCCC1	2037703388	NXUSHLWDAAKPCW-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2037754228	CNVXVBQXTGOXNQ-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
C(CCCCC1CC1)=C1CNC2(CCCCC2)C1	2037755231	JZMZKYCNKWQSEL-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCCN[C@H](CCC1CC1)CC1CC2(CCC2)C1	2037979728	PMCNEMOJMFXXLZ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)c1ccccc1	2038129448	WUTIPJWQBXGROF-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H]1CC12CCCCC2	2039011859	LEWYIJIFHWLGNA-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)CC[C@@H](C)C1(N)CC2(CC3(CCC3)C2)C1	2039463573	IBISOZKEUZDZAC-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1CC[C@@H]2C[C@@H]21	2040234862	FSPMKJZOJFQXFX-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1(CCN[C@H]2CCCC3(CCCCC3)C2)CC1	2040766125	ZQKSAQQEOBRETD-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@@]1(C)CC=CCC1	2042025782	YNFCKAVSEVYWBI-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(NC[C@H]2CCC=CCCC2)cc1C	2045329185	LWLAPDGEDDSYQW-INIZCTEOSA-N	243.394	4.852	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@@H]2CCC[C@H](C)C2)C1	2045561360	FKDMHRCEMHZNSM-UGQVUOCMSA-N	248.410	4.764	0	10	BJAE	
CC(C)Cc1cccc(C(=O)CCCC2CC2)c1	2045606811	IGWFWLNBHHHQND-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2045683039	UVHPPLLPLWHFKZ-FHXAZYNBSA-N	248.410	4.620	0	10	BJAE	
CC(C)C1([C@H](N)C[C@H]2CC23CCCCC3)CCC1	2047014699	DAXCJJYSHIUQBN-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2[C@H]3CCC[C@H]32)CC1	2048470872	XOQWKMSABCTJPF-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2[C@H]3CCCC[C@H]32)CC1	2048472164	WOKPAFNINVCLCE-JHJNDJDLSA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1CC[C@@H]2C[C@@H]2C1	2049644161	TZEJCLPSRKXYBM-JJXSEGSLSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CCC(N[C@@H](C)c2ccccc2)CC1	2051592842	NACBVVCELAPKHX-OOHWJJMZSA-N	245.410	4.696	0	10	BJAE	
CC1(CN[C@@H]2CC[C@@H]3CC[C@H]32)CCCCCCC1	2052504178	DHLHQPMBZGIYIC-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)[C@@H]1C=CCCCCC1	2053400369	KJOUBJYDSAOGED-WBVHZDCISA-N	249.442	4.668	0	10	BJAE	
CC1(C)CCC(C[C@]2(CN)CCCC23CC3)CC1	2053419598	UDZYCOZUXKOJSG-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](C=C2CCCCC2)NC)CC1	2056873038	JRJKFQXOEVMJGY-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
NC1(C=C2CCCCC2)CCC(C2CCC2)CC1	2056915713	CPHZDZPBAZGUIY-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)C2CCC(C)CC2)CC1	2061098827	LFUDRGOUKPEPLP-CLKYRPBMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(N)[C@H]2CCC[C@H](C)C2)CC1	2061117487	ZFGOHFXTHRXIOP-HDEZJCGLSA-N	249.442	4.667	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC1=CCC(C)(C)CC1	2061143094	HZYSSSYJUANDPE-INIZCTEOSA-N	243.394	4.521	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC1CC(=C2CCC2)C1	2061700109	UKNCTRBNZJZZFO-OAHLLOKOSA-N	246.394	4.662	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063534929	DDIBSEFQNBWPDQ-PHZGNYQRSA-N	246.394	4.662	0	10	BJAE	
N[C@@H]1CCCCCCC[C@H]1CC12CCC(CC1)C2	2065337358	MDRFFZZPJHWHNG-VUROTCPHSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC[C@]2(C)C[C@@H]12	2065651471	BLUMZHGJUSGKLU-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
C1=CCCC(CN2CCCCCCCCC2)CC1	2065849954	DRZPCNYDEHNHLI-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@H]2CC23CCC3)CCCC1	2069196465	HXGWYLGMERBNOL-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(CNCC2(CC3CC3)CCC2)CC1	2069505337	MPUNIWSYANXOFQ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)CC1([C@@H](O)c2ccccc2C(C)C)CC1	2069512907	HOYMKWKWTLRRFN-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H](C)n1nc(C2CCCCC2)cc1Cl	2070100194	ZGFCWIJIHRJGET-SNVBAGLBSA-N	240.778	4.555	0	10	BJAE	
C1CCC(CCCN[C@@H]2CC[C@@H]2C2CCC2)CC1	2071788281	UDKUYQXGLHLMMY-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CC(C)=C[C@H](C)C1	2072422568	CZWLVIZJCKWOQQ-RRQGHBQHSA-N	249.442	4.703	0	10	BJAE	
CC[C@H]1CC[C@H](COc2cc(C)cc(C)c2)CC1	2072879119	RLLGVPSUMOOYTL-WKILWMFISA-N	246.394	4.899	0	10	BJAE	
C1=C[C@@H](N2CCC[C@@H]2C2CCCC2)CCCCC1	2074797756	UCKYBWQTCKYEQO-IAGOWNOFSA-N	247.426	4.530	0	10	BJAE	
CCCCN(C[C@]12CCC[C@@H]1C2)C1CCCCC1	2076583730	BORBKGRHXAZECW-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CCCCc1ccc([C@@H]2CCC[C@H](CC)N2)cc1	2077917733	FTSLWBKHMHNBLN-IRXDYDNUSA-N	245.410	4.622	0	10	BJAE	
CCCCCc1ccc(C(=O)CCC2(C)CC2)o1	2077974134	WZEFOSSZHUUXCH-UHFFFAOYSA-N	248.366	4.775	0	10	BJAE	
CC(C)CC1(CN[C@H]2CCC3(CC3)C2)CCCC1	2078334994	PZSNOJTZXJKXEG-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@@H]1C[C@@H]1CCC	2079441836	XVZIKFGYSOCSHD-QMCVQRASSA-N	249.442	4.537	0	10	BJAE	
CCCC=CCNC[C@H]1C[C@@H]1C1CCCCCC1	2079462381	PNCTWCPIUSEJAL-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)Cc1ccc(C)cc1	2086044013	KIGXVIKWVVFZAP-WMLDXEAASA-N	248.410	4.505	0	10	BJAE	
CCCC(CCC)C(=O)CC[C@H]1C[C@@H]1CC	2211599803	HAJYGSVFOBTFDX-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)C1(C)CC1	2213573420	HLMXRASAVOHHMP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CC1(C)CC(C)(C)C1	2215376834	HBQSWDBWUQCFJE-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC1(C)CC2(CCC2)C1	2215393253	BJVFJJWRZJSDPJ-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C(C)(C)CC)[C@]1(C)CC=C(C)CC1	2215819905	ZPDGQNNPSZFDPH-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCCC1(CN[C@H](C)CC)CCC=CCC1	2217125173	NGOFBZMUKKXEON-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CNC1CCC1)C[C@H](C)C(C)(C)C	2217132661	ZWQQXXFLFMWHOJ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218333977	LRBNGINHDIVCGU-WCVJEAGWSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc(C)c(NC2CCC(C3CC3)CC2)c1	2218892535	ADPXRMJBHSGPIN-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C/C=C/c1ccccc1	2219096332	UXUCYMLWKQVGSS-SKYCBFMCSA-N	245.410	4.504	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](N[C@@H]2C=CCCC2)CC1	2220278199	YWZICCCXXHMGJO-XHSDSOJGSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CC)[C@@H]1C=CCCC1	2220878089	MBIJKNLGXOGSDB-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC1(N)CC(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2222969734	FOAGOVARAIOIAH-VPABYTGTSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCCN1CCCCC12CC2	2223122524	VCNLNNNKRVDMOQ-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H]([C@@H]1CCC(C)(C)C1)N2	2224118611	ADYPQPUNYYWEGO-ZBFHGGJFSA-N	243.394	4.548	0	10	BJAE	
C1=C(Cc2cccc(C3CC3)c2)CCCC1	2243238689	SYKZMONMSSJPDB-UHFFFAOYSA-N	212.336	4.607	0	10	BJAE	
CCC[C@H](CC)CN[C@H](C)CCCC(C)C	2244799473	BRVQNFWYZZTHBW-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](N)C(C)=CC[C@@H](C)CCCC(C)C	2244844920	IOHIWCCWICVJGE-DZGCQCFKSA-N	225.420	4.523	0	10	BJAE	
CC1CC(C)(C[C@H](N)CC2CCCCCC2)C1	2246586054	PKKRSLCUHMSGGM-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)CCC(C)(C)C	2248811352	ZVXQQLPNOKAUHU-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CC(C)c1cccc(NC2CCC=CCC2)c1	2249284188	NBNOURINNXVDMJ-UHFFFAOYSA-N	229.367	4.721	0	10	BJAE	
CC1=C[C@@](O)(CC[C@@H](C)CCCC(C)C)CC1	2250497056	YLNPUFPVZRZHAO-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]([C@@H](N)c1ccc2ccsc2c1)C(C)(C)C	2253066091	UUFZAWYCIPTKCP-IINYFYTJSA-N	247.407	4.583	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CN[C@H]2CCCC[C@@H]2C1	2253819165	SOXFRFORJOSJJW-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1(N)C2CCCC1CCC2	2254575061	CUQXTRQSSFREAY-LIHZJYIUSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(=O)CCCC[C@H]2C[C@@H]2C)ccc1F	2254608183	JYGJTVVGNKERLO-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
N[C@]1(CC[C@H]2CCCC23CC3)CCC=CCCC1	2255263507	IHSABABDCNOBDT-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NCC[C@H]1CCCC12CC2	2255292054	VDVPZOIXALBAGN-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1[C@@H](NC)[C@H](CC)CCC	2259456304	VZBPOJPNPNBWQL-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc(F)c(NC[C@@]23CCCC[C@H]2CC3)c1	2260584219	UHJROYFDDCNJIA-BBRMVZONSA-N	247.357	4.516	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(C2CC3(CCC3)C2)C1	2261367944	BYABDLAOKSHDRB-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)C1[C@@H](C)[C@@H]1C	2298649901	ZQXHCXFBHUXMHN-RDBSUJKOSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@](CC)(CNCC)[C@H](C)CC1CC1	2298848977	DTLDFBXNBQWUBZ-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)[C@@H]1C[C@@H]1C	2300466677	SQHAUMDYTKUJIY-GZBFAFLISA-N	231.383	4.575	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1C(C)=CCC[C@@H]1C	2300684679	WVRTVHYMEIWUID-BPUTZDHNSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)CC[C@@](C)(CNC)C1CCCC1	2300697772	SKTYMCODHFPKTQ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CC=C(C)CC)CC1	2300919948	BAFKOYVWUWZWII-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CC1(C)CC[C@H](CC2CCCCCC2)C[C@@H]1O	2301239112	MVYDMAOQJLUHTM-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C)[C@@H](CC)CCCC1=CCCCC1	2302325326	GMIWEFMKEWDWFT-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
Nc1ccc(SCCCC2=CCCCC2)cc1	2302328081	FZGUDTZVRJNKKL-UHFFFAOYSA-N	247.407	4.642	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CCC[C@@H]2C[C@H]2C)C1	2302613374	PYBDKDVEBXHFAG-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CC[C@@H]1C(C)(C)C	2303499066	LSVCADCBHULNSG-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1CCC(C)=C(C)C1	2303574870	DKULLVIJOVKOHW-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CCC[C@H](CC)C[C@H](CNC)C1CCCCC1	2307835471	QTZXRJPKHRJDBN-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@]1(C[C@H](CC)CCC)C=CCC1	2307845130	SRVIGLBLNQGKSC-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC1CC(C)C1)NCC	2307894485	RILZKXUUIJMWOD-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CCC[C@@H]1C(C)C	2307896514	VIKOHMMVWUCVHF-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cc(C)ccc1C	2307919125	CPBRHTKUTGCHIY-CQSZACIVSA-N	232.367	4.703	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1[C@H]1CC[C@@H]2C[C@@H]2C1	2309129416	FRWOMCJDVSXSAI-QKPAOTATSA-N	248.410	4.742	0	10	BJAE	
O=C(C[C@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCCCC1	2309164284	RJGYIIIRCALOJO-IMJJTQAJSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309185005	PNCUDLUZPVXLNM-ALYAQQCSSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H]1C1CCCCC1	2311537118	LIMAXZOOFSRQJE-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCC1	2311607470	OUVNTXDKAWDPLH-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C[C@@H]1CCC[C@@H]2C[C@H]12	2312767629	GNGLCORCNFGFAX-OWVAZHOYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC([C@@](C)(N)C[C@@]23CCCC[C@@H]2CC3)C1	2313349302	VTVAGWSBKZLKPK-COXVUDFISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCCN1CC[C@@H]1CCCC12CC2	2313615787	YXOSXTOCSJRJIP-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCC(CC)CC=C1[C@H](CN)CCCC12CCC2	2316250554	JMBBHFBQEJOBBR-HNNXBMFYSA-N	249.442	4.668	0	10	BJAE	
CCC(C)=CC[C@@H](C[C@@H]1CCCCC12CC2)NC	2316535163	FVSXZBIPUDGWEX-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C[C@@]12CCC[C@@H]1C2	2316541211	YYCPAVBMZFSJIW-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)CC1CCCCCC1	2317003050	SVCOXCAQJTUKAL-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2317008511	SPPKWPGCQARKCM-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CC1CC=CC1	2317906005	CWENQJODNLRSLQ-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CC[C@](N)(CCCC1=CCCCC1)C1CCCC1	2318548412	LUQPYSFRTQXDBZ-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)CCC[C@H]2C[C@H]2C)CC1	2318928706	DMROWZVOXDLHND-TXCZRRACSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC[C@@H]1CC[C@H]1C1CC1	2319730645	NWYDXCPHMKLARU-UTXMOHQDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](NC)c1cccc(C(C)C)c1	2320517269	WWYJZSPZGHJTPW-GRDNDAEWSA-N	247.426	4.753	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C=C2CCCCC2)c1	2320521617	RQDSZZSGWUIZCN-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CC(C)c1cccc([C@@H](N)CCC[C@@H]2C[C@@H]2C)c1	2320523591	PCCIDMHYJVNMEQ-LXZKKBNFSA-N	245.410	4.636	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H](CC2CC2)C2CC2)c1	2320626447	IHVRMHAFOZSSAL-QGZVFWFLSA-N	241.378	4.555	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCN[C@H](C)[C@H]2C)CC1	2321287011	APXVJLBWKJXYKE-KLHDSHLOSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@H]2CC=CCC2)cc1	21510393	NUDKPBFRTATJKX-AWEZNQCLSA-N	243.394	4.752	0	10	BJAE	
Cc1cccc(CNCCCCCCC(C)C)c1	21804076	AEJVQJCMCCTWNS-UHFFFAOYSA-N	247.426	4.691	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)CCCCC	36791948	AISFHOJUYLDPPX-OKILXGFUSA-N	213.409	4.514	0	10	BJAE	
CCC[C@H](C)N[C@@H](c1ccccc1)C(C)(C)C	36994676	JQLLLLTWQBKVSW-ZFWWWQNUSA-N	233.399	4.552	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCCC[C@@H]1CC	37031852	SBRSYNZKZVOTPI-VGWMRTNUSA-N	239.447	4.760	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccccc1OC(C)C	37126122	LFKOUYBXMINJKP-AWEZNQCLSA-N	249.398	4.710	0	10	BJAE	
CCCCCC(=O)Cc1ccc2ccccc2c1	38125218	JSYGLQGRTBEIMF-UHFFFAOYSA-N	240.346	4.532	0	10	BJAE	
CCCc1ccc(N[C@@H](CC)c2ccco2)cc1	54083372	BAVHTGCZAIDXMR-HNNXBMFYSA-N	243.350	4.795	0	10	BJAE	
CCCC[C@H](CC)CCCCNC(C)(C)C	70743572	GWDWYRPIXCMEIJ-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC(C)(C)CCNc1cc(Cl)ccc1Cl	71085566	CXIBUXWRSNHKLF-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
Cc1cccc2[nH]c(C3CCCCCCC3)nc12	86580455	FEGHVSCUMNGWMH-UHFFFAOYSA-N	242.366	4.699	0	10	BJAE	
CCCN[C@H](CC)c1cc2cc(C)cc(C)c2o1	88075000	WRYACKJVZAYTTO-CQSZACIVSA-N	245.366	4.500	0	10	BJAE	
Cc1cc(C)cc(NC[C@H]2CCC[C@H](C)C2)c1	89604363	GRGWGTNQDJJWBB-WFASDCNBSA-N	231.383	4.542	0	10	BJAE	
CC[C@@H](C)CC(=O)C(CC)(CC)c1ccccc1	109711836	HVHLVUJZMXXOCE-CQSZACIVSA-N	246.394	4.750	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1ccc2ccccc2c1	109742442	LFGYRPWAUYUSAV-CXAGYDPISA-N	241.378	4.666	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)c1cc(C)ccc1C	109945066	DGTMJPXHKTYQSD-CABCVRRESA-N	233.399	4.533	0	10	BJAE	
CCCCCC[C@H](CNCC(C)C)CC(C)C	110184246	WJQFSUYHQOIZNH-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCCCCCCC/C=C/[C@@H]1CCCC1=O	117056319	GXERGVHDSZQLQY-CFRMROPGSA-N	222.372	4.662	0	10	BJAE	
CCCCCCC(=O)c1cc2cccc(F)c2o1	126725413	UBIODODHNMWFRK-UHFFFAOYSA-N	248.297	4.725	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@@H]1CNC(C)(C)C	129803272	IWNKAAADKSCQOS-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)CNC1CCCCCC1	132928576	LHOHRTGCAKHMIR-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCCC(C)C)NC	133485234	BOJNLKCZLFZVGH-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc(Cl)cc1Cl	164263433	MJJZGARSZXNBFN-QMMMGPOBSA-N	245.149	4.612	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)c1cc(C)cc(C)c1	225416765	ZNIPXQUFNNHSJH-PVAVHDDUSA-N	246.394	4.553	0	10	BJAE	
CC(C)C[C@@H](C)c1c[nH]c2ccc(Cl)cc12	232627661	XXTSDPOZDCIREM-SNVBAGLBSA-N	235.758	4.971	0	10	BJAE	
CCCN[C@@H](CCC1CC1)c1c(C)cccc1C	233122349	RFZJKQUMKOKTCD-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
C[C@H]1C[C@@H](c2ccc3c(c2)NCCC3)CC[C@H]1C	235378627	MKSRGPZOXYYAQJ-IPYPFGDCSA-N	243.394	4.584	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@@H]3CC[C@H](C)C3)c2c1	235703417	BHVSETUSDPPFKA-GXFFZTMASA-N	227.351	4.688	0	10	BJAE	
CCC(=C[C@@H](CC)c1ccccc1O)CC	238289742	CJZOLCQXKNTVOZ-CYBMUJFWSA-N	218.340	4.632	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1	251722554	RYLVUFWWOUXZFY-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCCC[C@H]2CC)C1	251857201	SJTFPBZOOJYGDG-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H](C)CC(C)C	300838537	CVVILNZCYCOBJG-GJZGRUSLSA-N	227.436	4.604	0	10	BJAE	
Cc1ccc(C)c([C@](C)(O)C[C@H](C)CC(C)C)c1	302403419	RWIGQTSIFURNDT-RHSMWYFYSA-N	248.410	4.583	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1CCC[C@@H](C)C1	309486398	YDXYLKYKBDYZKT-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1C=CCCCCC1	310068013	IRIICLJCTOTFCG-AWEZNQCLSA-N	249.785	4.949	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@@H](C)C1)CC(C)(C)C	310109522	DXOIKIYTKHNUNQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CNc1cccc(C)c1F	310252195	YQKXZLJXCONKBF-CYBMUJFWSA-N	237.362	4.762	0	10	BJAE	
CC(C)NCC[C@@H](C)C[C@@H](C)C1CCCCC1	310377655	AIVNZRFAIOLRBI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@H]1CCC[C@@H](C)C1	310434822	QZRHGOSRKUFETO-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)C(C)(C)C(C)(C)C)C1	310521605	WXDDCWZAUXJTGK-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CC1CCC([C@H]2C[C@@H](C)c3ccccc3N2)CC1	310834727	ZOGAISGCKPAXME-NHMAURGWSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CC2CCC(C)CC2)c1	310923695	CBAGUKLSEZSPCI-MWHAMWOXSA-N	246.394	4.553	0	10	BJAE	
CCc1ccc(OC[C@@H](C)C2CCCCC2)cc1	311242127	ZYWTWJQJFXVVKP-CQSZACIVSA-N	246.394	4.844	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCCC12CCCCC2	313098779	FUWDZBWTMUSEKN-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCCCCC[C@@]1(CNC(C)C)CCC[C@@H]1C	317906795	KBVAMVNVPZGYCK-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C1CCC(C(C)C)CC1	319797092	IVCWYRMJGHBDKZ-ZUJMUWTESA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@](O)(CCC)C1CCC1	322372390	JRPBHPLCPYHYNO-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](N[C@H]1CCC12CCCCC2)C1CCC1	324821355	WHMZYAGZDKZPCJ-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2CC3CCC2CC3)cc1	382267440	YLVCFQPPHCRKLL-ARAOSMHQSA-N	243.394	4.622	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC[C@H](C)[C@@H]1C	383521376	KPNOWILTCIFTRG-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C1CCCCC1	383577394	LEVVNIFHUYDPHB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC([C@H](N)C(C)(C)C(C)(C)C)CC1	383829369	IOCQMAWNYOOXKU-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
Cc1cc([C@@H](C)N[C@H](C)CC(C)(C)C)cs1	384525295	LBYCMIKEKJHINM-ZYHUDNBSSA-N	239.428	4.532	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)c1ccccc1Cl	384849444	KYFPPFDMPPXDBR-HNNXBMFYSA-N	249.785	4.620	0	10	BJAE	
CCCCc1ccc(C(=O)C2(CCC)CC2)cc1	384965271	JMOFGGUTTJTPNB-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCc1cc2ccsc2c(CC)c1SC	396179164	VVYJQIBADBFMQH-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCC[C@@H](Nc1cscc1C)[C@@H]1CC1(C)C	397648972	AKVLZFXPNIOIHE-NWDGAFQWSA-N	237.412	4.683	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1CCCC12CCCCC2	398097453	GAIXCJRMJRZSKJ-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
O[C@@H](CCC1CCC1)c1csc2ccccc12	398573946	JCBYNKODUPPTOO-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CC(C)(C)NC[C@H]1CCCC[C@@H]1CC1=CCCC1	400610540	GBPUSWRMXMFGMN-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1c(Cl)ccc2c3c([nH]c12)CCC[C@@H]3C	527404014	APFUHDNYQSUAKW-QMMMGPOBSA-N	233.742	4.570	0	10	BJAE	
CC(C)[C@H]1CCCCC/C1=C\Br	606287913	BGHKBENUPPFAHX-RJCSOLBVSA-N	231.177	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNCCC(C)(C)CC)C1	686306833	GIKZMPWCWIYKII-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
C1CC[C@H]([C@H]2CCC[C@@H]2CCCC2CCC2)NC1	688398387	LZSNTFVTIIZTSA-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](NC)c1cccc(C(C)C)c1	688902056	WBXWQWSXXOFIFX-INIZCTEOSA-N	233.399	4.651	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCCC(F)F)NCC	689059676	VRLCHKDCSCSBJT-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1NC1CCCCC1	691156566	LNVQOSYAWCEHKH-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CC1CC=CC1)CC1CCCCCC1	692105219	JPJGOAWJSUOPJS-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@]23CCCC[C@@H]2C3)CC1	693196095	HNHUZNDXEOKCJS-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
Clc1sccc1NC1CCC2(CC1)CC2	695930314	JPJWJIWWFPMSPE-UHFFFAOYSA-N	241.787	4.536	0	10	BJAE	
CCN[C@H](C)CC(C)(C)CCC(C)(C)CC	696706351	YHDSZGRMCXDQSV-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CCC(C)(C)CC)C1	696715021	YGFIASSEUKNHHU-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCCC1(C)C	696807805	KZSMKMPCQLEQOU-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H]1C[C@H]1C(C)(C)C	699804565	XXWFVADUQBBBMC-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@]1(CNC(C)(C)C)CC1CC=CC1	700907352	ZRCWZQWYMNFCDD-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)[C@@H](C)C2CCC2)cc1	701355086	VBPWWAZOFAPOMA-DCGLDWPTSA-N	246.394	4.670	0	10	BJAE	
CCSc1cccc(N[C@H](C)C(C)(C)C)c1	702296676	OWPRPYAEJYLEJM-LLVKDONJSA-N	237.412	4.645	0	10	BJAE	
CCC1CCC([C@]2(N)CCCC[C@@H]2C2CC2)CC1	704472010	BENKFIONWRFTDH-OKEQZYBDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CC2CCCCC2)C1	704887726	GTSWDJKDNKUSTO-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CCC1CCCC1	704959066	UEUCAAQGGMYCQU-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CCC1(C[C@@H](NC)[C@H](C)CC(C)(C)C)CCC1	708297673	SEIRBJGDKVJNHA-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC[C@H](O)c1ccccc1)CC(C)(C)C	709097388	NJRDYECWNPGZNH-ZBFHGGJFSA-N	248.410	4.963	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@@H](C)C1CCCCC1	709224015	YUSZIHLVKYSQHO-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](C)NCC1C[C@H](C)C[C@@H](C)C1	710058973	YGBJXHCLRQBXGY-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@H](C)C(C)(C)C)C1	711205292	AXRBFAVOSLNQAA-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CCNC[C@@H]1CCCC[C@H]1CCC(C)(C)CC	711293886	KXJAMZCJJJUWHO-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)C[C@H]1O)CC(C)(C)C	717548252	DIBLDZVQUQTVOO-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccc(NCCCC(C)(F)F)cc1	718375028	YKBODSAPTZTOPP-UHFFFAOYSA-N	241.325	4.657	0	10	BJAE	
C[C@@H](N[C@H]1CCCCCC1(C)C)C1CCCC1	719283505	DKGYRLGPQGWSIR-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1(C)CCC1	720769457	ZTMFJTGIFTZBIZ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCCC1CCC([C@H](N)C[C@@H]2CC23CC3)CC1	723182916	NZDIIGQNRNNGEG-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)NCC1CCC=CCC1	1207638798	JOUFVLYBFIUFJC-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
c1ccc([C@@H]2CCCN2C2CCCCCC2)cc1	1255890474	CUIGCWBCGKTLCK-KRWDZBQOSA-N	243.394	4.546	0	10	BJAE	
C1=C(CCNC2CCC3(CCC3)CC2)CCCC1	1655987512	KCMRWGHDKVONLO-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC[C@@H](C)N(Cc1ccccc1)[C@@H](C)C(C)(C)C	1880409585	QDZXDUOJJJUOKV-CABCVRRESA-N	247.426	4.722	0	10	BJAE	
CCc1ccc([C@H](N)CCC(CC)CC)s1	1900695375	GCIRCYNLVIKGMI-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
CCC(C)=CCC(=O)[C@H](C)C1CCCCC1	1900898422	OUHGSGNHJAUMSZ-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCc1cscc1N[C@H]1CC[C@@H]1CC(C)C	1902381389	MXGIYCUAWWGINM-OLZOCXBDSA-N	237.412	4.547	0	10	BJAE	
CCc1cscc1N[C@@H]1CCC[C@@H](C)[C@H]1C	1902389733	GOXFYEJEWVFUOM-NQBHXWOUSA-N	237.412	4.547	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2c(F)ccnc2Cl)C1	1903369966	LXVBTSPSNDFSFO-NXEZZACHSA-N	241.737	4.558	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1CCC(C)(C)C1	1905304802	SNWRWWHNOKBMIC-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)CCC1CCCC1	1905444244	LGYRSCQMWDQYLJ-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
C=CC=CCCCc1c(F)cccc1Cl	1911784208	RKGXBVBOYJUYJS-UHFFFAOYSA-N	224.706	4.544	0	10	BJAE	
C=CC=CCCCc1ccc(C)cc1Cl	1911784828	WKMSKNCGZLWEFR-UHFFFAOYSA-N	220.743	4.713	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@@H](C)CC[C@@H]1CNC(C)C	1911842299	LKOOGKDXBZKQOX-GVDBMIGSSA-N	249.442	4.559	0	10	BJAE	
CCC1(C[C@H](NC)C2CC3(CCCC3)C2)CCC1	1912595284	AOGXUVMXSKVWKR-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C2CC3(CCCC3)C2)C1	1912604170	JAAURGPVFUXKEU-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H]1CCC2(CCCCC2)C1	1915921499	CONFZSKXHNXGOS-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@]1(CCC2CCCCC2)C=CCC1	1916378674	ZQNZKZYDXMSDJI-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC[C@@H](C)[C@@](C)(O)c1ccc(CC(C)C)cc1	1919644735	QKNDRBQBDLDMRJ-RHSMWYFYSA-N	248.410	4.529	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)c1ccc(C(C)(C)C)cc1	1919647350	GDQTUPWBGWXBPF-KRWDZBQOSA-N	248.410	4.628	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CC1(C)CCCCC1	1919969088	GRMVARFBFKNXLA-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CCC1CCCCC1	1920201567	HQERSVCKHCXMCU-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1CCCC12CCC2	1921499732	RYTGXMVLLKZPPE-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCCCCCNCC[C@@H]1CC1(C)C	1921556804	BROFZQWKRGBULX-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(NC2C[C@H]3CCC[C@H](C2)C3)CC1	1923478506	CDYDRGYPPMYOJB-PYBGIAKNSA-N	249.442	4.514	0	10	BJAE	
Fc1ccc(CC[C@@H]2C=CCCCC2)c(F)c1	1925824899	QCVJDRGGQIMGHO-GFCCVEGCSA-N	236.305	4.644	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)Nc1ccsc1Cl	1933236503	KLLCTDJAMKAYKH-NXEZZACHSA-N	245.819	4.884	0	10	BJAE	
CC[C@H](C(=O)CC1(C)CCCCC1)C(C)C	1936209723	QQVIVWLCYWQTKY-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC1(C[C@H](O)CC(C)(C)C2CC2)CCCCC1	1940415211	MSOCGILTQDPOLU-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@@H](CCC)C(C)C	1941262725	ILCITUUKYJKAGV-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H]2C(C)C)cc1C	1947461826	KAYLLHDTSCFIQZ-HOTGVXAUSA-N	231.383	4.540	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@]1(O)CCCC(C)(C)C	1947517307	ZQOBSCQMUDBIAS-IIAWOOMASA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](C(C)C)C1CCCCCCCCC1	1947879110	NQLOXLSNNPTEAB-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CCC[C@@H](C)C1)NCC	1948434099	WUBZFJKDVRZKJS-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](N)CC1CCC(C)(C)CC1	1948930043	PISKUDDOHYKCJT-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H]1c2ccccc2NC[C@H]1C	1949108951	GXYJFDQZKAFDOS-ZIAGYGMSSA-N	231.383	4.802	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCC3(CCCC3)C2)s1	1949494867	BFEAOYRFXMGZBU-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)c2cc3ccccc3s2)C1	1949505175	JDDGBSYADJLOCL-CMPLNLGQSA-N	244.359	4.520	0	10	BJAE	
CCC[C@H](C[C@@H]1CCC2(CCCC2)C1)NCC	1949551311	JJHIMBUMPLBBRH-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H]1CC12CCCCC2	1950603798	DPKHWMRNZFSUPL-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C2CCCCC2)CC1	1950921170	CNJXQMARFAGRDD-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCCC(=O)CC12CCC(CC1)C2	1950956790	BUZAMCUXDSSGCR-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
FC(F)=C1CCC2(CCCCC2)CC1	1956170205	QSBLCDITPUEBRP-UHFFFAOYSA-N	200.272	4.662	0	10	BJAE	
CCC(CC)[C@H](C)NCC[C@@H]1CCC[C@H](C)C1	1963157253	PVSPIEUPMJEOBR-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)NCc1ccc(CCC)cc1	1963228669	JYBTWLXTGNMVFC-KRWDZBQOSA-N	247.426	4.698	0	10	BJAE	
C1CCCC(N[C@@H]2C[C@@H]3CCCC[C@@H]3C2)CCC1	1967859649	GMDZDHWABDBFHB-QLPKVWCKSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@H]2CC[C@H]1C2)C1CCCCC1	1969166157	AWBUBRIKUSKHTL-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CC(C)Sc1ccccc1NCC1CCCC1	1970341474	CUDRUYBYRVECKI-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CCC(C)(CC)C(=O)c1cc(C(F)F)cs1	1977100293	XOCUHFUQVOWDMG-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CCCC[C@](N)(CC)C1=CCCCCCC1	1978588831	XWJQNXSLWXQMIC-OAHLLOKOSA-N	223.404	4.565	0	10	BJAE	
CC=C(CC)[C@H](CC[C@@H](C)CCCC)NC	1995258450	DQFUDKVNEZSMMA-ZFWWWQNUSA-N	225.420	4.537	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CCC1CCCC1	2000294556	VRVONPMSXQHKNW-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)C1(C(C)C)CCC1	2000371973	KABYLTQWTGBPDF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@H]1CCC[C@@H](C)C1	2000517382	CLLOIELSUJNZEI-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)[C@H]1CCC[C@H](C)C1	2003017310	IPEBNAKNFXLGDS-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)CCNC1CCCCCCCC1	2003102718	YTENMVYDUBRPTB-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
O[C@@H]1CCCCCCC[C@@H]1CCCC1CCC1	2003112636	WRXYMUZYRSBGMV-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@H]1CCCC2(CC2)C1	2003218563	RVVAMDSAJMTCGL-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCCCC[C@H]1C	2004710773	CMPVSKUWZUVCSP-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC1([C@@H](N)C2CCCCC2)CCCCCCC1	2004919605	BDJCNXHTZFGZTD-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC1=C(C)[C@@H](O)[C@@H](CCCCCC(C)C)CC1	2006895798	XRIAGASNDDSPGP-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C1(C)CCC(C)CC1	2007697604	PTOXGNIZYYBINI-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C2(N)CC(CC)(CC)C2)CC1	2009304788	RAAUWCMGPMWOGP-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2C=CCCC2)CC1	2009403432	BYTLQLBPEFNQPQ-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@@H](CC2(C)CCCC2)[C@H](O)CC1	2009408812	WNDSYRGEALZZPF-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@H](CCC1CCCCC1)NC	2009619987	QEBJHCCMOHCDNE-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCC1CC(NC[C@@H](C)CC(C)(C)C)C1	2009782815	HYPDUCKMMRMAHP-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](CC)CC1)[C@H](C)CC	2010716850	XJFASMOVTZQCFY-FMKPAKJESA-N	237.431	4.537	0	10	BJAE	
COC[C@@H]1CC[C@@H](CC[C@H]2C=CCCCC2)C1	2010888152	OLUQCGPCQIYJSL-ARFHVFGLSA-N	236.399	4.576	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011972328	XMBKKLGTOLNLKP-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CC(=O)C(C)(C)C(C)(C)C)CCC1	2015598267	RZUPLFBITMQROZ-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC1(CN(C)C[C@@H](C)CC(C)(C)C)CCC1	2015629460	YCVMUSBLRQGWEC-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccc(F)cc1F	2016149919	OCUFVBXSOLCOIK-LLVKDONJSA-N	239.309	4.512	0	10	BJAE	
CC[C@@](CN)(CC1(C(C)(C)C)CCC1)C(C)C	2017139895	AQPBOCLCFHSXLO-HNNXBMFYSA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H](C)[C@H](CC1(C(C)C)CCC1)NCC	2017140098	CXSYBKDDEBQHCX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H](O)C(C)(C)C)CC1	2017712951	UOACNRHLXBWMAK-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)C[C@H]1CC[C@H](C)CC1	2017724329	XNFPKXKWLGCVSQ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)C1CCCCCC1	2017745653	CSERFPJMCOJIIS-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](CC)NC1CC(=C2CCC2)C1	2018138522	IBWUITGLJJPEKK-HNNXBMFYSA-N	235.415	4.578	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(CC(C)C)CC(C)C)C1	2019199432	DRBUUESJWKLHDT-JKSUJKDBSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1C[C@H]1C(C)(C)C	2022451544	OXIHCHLFYDCSQK-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
Cc1cc(Cl)c(-c2cccc(C)c2C)cc1N	2023939971	MSJUUUDYXGEFIN-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC1(C)CCC(=O)[C@H]([C@H]2C=CCCCCC2)C1	2024124284	MPLBSPLHMNXZKF-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC1CCCCC1	2026139416	ANQBCKDGHQMPDF-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C1CCC(C)CC1	2026141748	GOLJKSCOMHLABI-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@@H]1C[C@@H]1CC)NC	2026169692	KFGXZXSORCMXNY-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@](C)(N)[C@@]23CCCC[C@@H]2C3)CCCCC1	2027307810	YAGLMAVTCMNWGP-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccccc1C(=O)CC1(CC)CCC1	2027903770	PTQZFKZTIBCWSP-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCCC[C@@H](C)C(=O)Cc1ccccc1CCC	2027906053	ODFLASVPBVNMDP-CQSZACIVSA-N	246.394	4.577	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@@H](CC)C(C)C)cc1	2028231231	CKZIKDASQVVVAI-JQFCIGGWSA-N	248.410	4.916	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cccc(C2(C)CC2)c1	2028559208	DPKHCSKBHBLIOB-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@@H]3CCCC[C@@H]32)CCCCC1	2028759141	FCELNWWZAALFNP-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](N[C@@H]2C=CCCC2)CC1	2030347684	YWZICCCXXHMGJO-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@H]1CCC[C@@H]1C	2032513906	KCNIUEKCOFILQX-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)[C@H](O)C[C@H](CC)CC2	2034179236	ZZWDPAMGTXWPDM-OGHNNQOOSA-N	246.394	4.596	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C[C@@H]1C=CCCC1	2035589364	IFOVWZMBYMMSJC-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)C[C@H]1CC1(C)C	2035601458	SJTLGJHMKWMOEY-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1(C2CC(C)(C)C2)CCC=CCC1	2036176405	WXJNWYUSSKAERK-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
NC1(C2=CCCCCCC2)CC2(CCCCC2)C1	2037076126	PVFIZQXAORWOHC-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@H]1CC[C@H]2C[C@@H]2C1	2037132043	YBCDFGILHMRCCG-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@](N)(c1ccccc1)C(C)C	2037169415	UBEZKVHBIMRGTK-KRWDZBQOSA-N	245.410	4.633	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)[C@@H]2CC=CCC2)CC1	2037198501	ONVUQHXAMASSTR-PRLABOORSA-N	249.442	4.523	0	10	BJAE	
CC(C)CC[C@](N)(C[C@H]1C=CCCCC1)C1CC1	2037273444	SHTIMEKRMMWYGE-RDJZCZTQSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C[C@H]2C=CCC2)CCC1(C)C	2037867281	VRYDFNCYKDLTSQ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@@H]2C=CCCCC2)C1	2039032404	NAIZKLMYXQCAMO-GVDBMIGSSA-N	249.442	4.680	0	10	BJAE	
Cc1ccc2nc(C3CCC(C)(C)CC3)[nH]c2c1	2039358303	ALBZZPXKYNPUEF-UHFFFAOYSA-N	242.366	4.555	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2CC=CCC2)CC1	2039380232	HBGZXVKZOMFGQW-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CCC1(C(=O)c2ccc(C3CCC3)cc2)CCC1	2039729243	PZXDJTYCOZHKLQ-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
C[C@](N)(C1=CCCCCCC1)C12CCC(CC1)C2	2039849933	PGMYORPUSPHRCS-WIHSUSGWSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CCC(C)CC2)cc1F	2040633341	NVJDSXAMHHJJLN-HRDQMINSSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](CC2=CCCC2)NC)CC1	2041374960	FBTGNWFODHFEAT-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CCC1CC1)N(C)C[C@H]1CCC=CCCC1	2045315981	ZOQDJYLEQKCIFH-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
NC1(C[C@@H]2CCC=CCCC2)CC2(CCCC2)C1	2045316648	GCXBWDLKSRTWTD-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@H](C)C1CC1	2045329237	MKPOBWBTBHGYBR-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)[C@@H]2CCCC3(CCC3)C2)C1	2045519854	LCJGSIYKJKVNCR-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc(N(C)[C@@H]2CCC3(CCCC3)C2)cc1	2046557888	HIADPTQBBUMOJO-MRXNPFEDSA-N	243.394	4.544	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)C[C@H]1CC12CCCCC2	2047064346	DJJXSAQTBADXRX-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047438428	SJTZDPIXZVMBKE-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@]2(N)CCCC[C@@H]2C2CCCCC2)CC1	2048878921	DFNWKWJAWSQQFG-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(CNC[C@]2(C)C=CCCC2)CC1	2049350032	LNXLAFMLWCZXAU-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC([C@@H](C)NC[C@H]2C=CCCC2)CC1	2049412971	UCAHGUQTAAOMBD-GYXIZQIFSA-N	249.442	4.537	0	10	BJAE	
N[C@@]1(C[C@@H]2CCCC3(CC3)C2)CCC=CCCC1	2049847930	FPPHZZUAVZDVLI-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
c1cc(C2CC2)ccc1NC[C@@H]1CCC2(CC2)C1	2049861492	WSMLHGIJEGTVED-CYBMUJFWSA-N	241.378	4.556	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@H]1CCC2(CC2)C1	2049867312	UEHQLDLSBBYHTB-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)CCC2(C)CCCCC2)cc1	2050455877	KKXLQZSPZJXMBQ-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
Cc1cccc([C@@H](N)CCC2(C)CCCCC2)c1	2050456815	VFACLJHOEXIBRS-INIZCTEOSA-N	245.410	4.745	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@H]1CCCCC12CCC2	2053411953	MBAQSCFCDHNFRI-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](CC)CO[C@H](C)c1ccccc1N	2056115539	HWCIGNORAZBIMG-KGLIPLIRSA-N	249.398	4.563	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@@H]2CCC[C@H]3C[C@H]23)C1	2057356455	DHQJGGVDDHFOOR-JLHDYFKBSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@]1(N)CCCC2(CCCCC2)C1	2059202702	BQSSSNDJOADTAD-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](C)CC[C@@H]1CNC1CC1	2059247815	VOCHWSQOSBRZKY-XJEJTNKKSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]21)NCCC	2059268220	WMNHOXMYWZAAKI-DZVWSGNESA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@@H](N)C2=CC[C@H](C(C)(C)C)CC2)C1	2061114400	YBLBVDHOTNMSFF-OJLVUWQFSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@]1(CNCC(C)C)CCCC[C@@H]1C	2061565306	CNPXVOSYXCJCDI-DLBZAZTESA-N	249.442	4.550	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCCCC23CC3)CC1	2062019912	XJWCRXHHDYLHMZ-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC(C)CC1(CN[C@H]2CCCCCC23CC3)CC1	2062023036	JHMOASZQIPKWRH-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(NCC2C[C@H]3CCC[C@@H]3C2)CCC1	2063406025	JYOUIWHMWWICSN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2063428321	ZNLSGSGIACAJOS-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CCCC1)NCC12CCC(CC1)CC2	2065260313	WSVLWXKZWWRNPA-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCCCN1CC12CCC(CC1)CC2	2065280010	PXBQRNRUIWLOMA-CGZBRXJRSA-N	249.442	4.611	0	10	BJAE	
CC1([C@@](C)(N)CC2[C@@H]3CCCCC[C@@H]23)CCCC1	2067531010	VZAXTGOGRSFWRL-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](NCC2(CC3CC3)CCC2)C1	2069506137	XXZVETKSYWDXCN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2CC[C@H]3C[C@H]32)CC1	2071048611	CVDVPTHSUFYUDK-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(CC(=O)C2C[C@@H]3CCC[C@H]3C2)CCC1	2071920778	ADELTBBAXSOYPH-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@H]1CNC12CCCCC2)C1CCCCC1	2072190213	UDGQGPXPOFRWRU-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@](C)(NC[C@@]2(C)CC=CCC2)C1	2072612980	XTMPKXGKSQFURT-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](NC)[C@H]2CC=CCC2)CC1	2072790377	FYFZXWLYCUJENJ-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C=C1CCN[C@@H](C2CCC2)C1)CC	2073791891	UGWJXKKKXJGIJT-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)C12CCC(CC1)CC2	2074647839	BZAMXHZOVSGYTI-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCCN1[C@H]1CCC12CCCCC2	2075015613	JRRGKVCKICJGLY-HNNXBMFYSA-N	249.442	4.754	0	10	BJAE	
CCCC1CC(N)(C[C@H]2C[C@@H]2C2CCCCC2)C1	2079666764	SPGOHCFAEHXLAD-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)[C@@]12CCCC[C@H]1CCC2	2079851795	NDWHUUBGXAEPNU-WBTNSWJXSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@H]1C[C@@H]1C1CCCC1)C1CCCCCC1	2079867829	VVQZRUNXBNTYRK-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C[C@](C)(N)C2CC3(CC3)C2)C1	2082978835	JTWSVUJRZAEHKK-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1ccc(CC)cc1	2086045216	UUHKTNVCQBMXKR-WMLDXEAASA-N	248.410	4.889	0	10	BJAE	
COc1cc(C(C)(C)C)c2occ(C(C)C)c2c1	2086609155	MIKOJKBVXBJMIE-UHFFFAOYSA-N	246.350	4.862	0	10	BJAE	
CC[C@@H](C)[C@H](O)CCCCCCCC1CC1	2212463009	OZPPWPGMFVCDKS-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC[C@](O)(CCCCCCC1CC1)[C@H]1C[C@@H]1C	2213577227	ZMNNXLSLXJCNAU-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@](C)(O)CCCCCCC1CC1	2213580700	NREWHUYFAWKGDV-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)N(C)CCCCCCC1CC1	2213594798	DMUHCLBHOORVIH-INIZCTEOSA-N	239.447	4.857	0	10	BJAE	
Cc1ccn([C@H]2CCCCC23CCCCC3)c1	2214619536	NCRPYNHXMBFWOR-HNNXBMFYSA-N	231.383	4.862	0	10	BJAE	
C[C@H]1CC[C@H](CC[C@H](N)C2CCCCC2)CC1	2214766529	ZGRUURPQAHVEMJ-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C1(C)CC2(CCC2)C1	2215332079	SDDGPLZIGXNJSV-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC1(C)CC(C)(C)C1	2215400897	KXZXDRMNVZNJNM-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)C(=O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216747985	RSWKQNBLXGJXGA-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)NCCCCCCCC1CC1	2216883416	KNNHEZCDYCDHOC-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
O[C@H](CCCCCCCC1CC1)CCC1CC1	2216896623	PTMXUDJDJZPAGH-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)NCC1(CCC(C)C)CC(C)(C)C1	2217156212	JLSPGDBIXQWYSU-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218340304	PAQMTUUZYPRJDI-FICVDOATSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C(C1CC1)C1CC1	2218718173	LAGLNRZENQIUSL-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC1(C)CC1)CC1(C)CC2(CCC2)C1	2221027175	DEXXALSNFVVXSB-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@H](CN[C@@H](C)CC2CCCCC2)CC1	2221668564	PNDYVTFOKJXBBI-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@]1(CNC1CCC1)CC1(C)CCCCC1	2223553673	CQKNMSZNKBSYBE-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC(C)CC(=O)CCC[C@@H]1CCC[C@@H](C)C1	2242760393	MVFDQLLTMWAMIR-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCC(=O)CCCCC[C@H]1C[C@H]1C	2243897167	MVDOQPUHXVZZBP-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)c1sccc1C	2244781411	KBNRINJOPMYVTD-OLZOCXBDSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1sc(C)c(C)c1C	2244786259	ZHPMGSNUIFVANF-CHWSQXEVSA-N	240.412	4.533	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCCCC12CC2)NCC	2246615928	YRDDOACRORSIPJ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@H](CC[C@@H]1CCC[C@@H](C)C1)NC	2246723583	AJSMVENXAUFJSH-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(CCCCC[C@@H]2C[C@H]2C)CCCN1	2248872720	SVRJRAICGBRHOL-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
N[C@H](c1ccc(C2CCC2)s1)C1CCCCC1	2250295397	WCBIFVJTIJILSG-HNNXBMFYSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC[C@@H]1CC1(C)C)NC	2250355029	IZNOQMWPNKPBNU-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)CC1CC2(CC(C)C2)C1	2250433478	OHFYWJMFXDXCQL-UFFJXHMVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1NCC[C@@H]1CC[C@@H](C)CCCC(C)C	2250468891	IWRZHCCSTVOUBB-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CN(CC[C@H](C)CCCC(C)C)C1	2250469832	TUOAXSFAHIQWRO-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC(C)C[C@H](O)CCC1CC(CC(C)(C)C)C1	2251532297	VEDUKJBHRQSHSK-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
CC1(C)C[C@]1(C)[C@@H](N)CC[C@H]1CCCCC12CC2	2253839530	OBEXSXVJXXCMEO-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CC2(CCCC2)C1)[C@H]1CC[C@@H](N)CC1	2254079471	RXZYRQLEIAPANW-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
NCC[C@@H]1CCC[C@H](CC2CC3(CCCC3)C2)C1	2254084135	LSNCFDUMXCDSKY-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](CC1CCC1)CC1CC2(CCCC2)C1	2254110368	DTGNAIAVKVEJFP-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C1CC2(CCCC2)C1	2254575433	DXKRGJMYGWGQGP-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)CC1=CCCCC1	2255097884	XOXMLOUHLNVYIT-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCCC23CC3)cc1C	2255330971	MBSMVZJEWKJNLV-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
CCC1CCC(C[C@](C)(N)[C@H]2CC23CCC3)CC1	2256459480	RTXJTIKHIFSJRM-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CNc1cc(C2CC2)ccc1F)C(C)C	2259126049	WGQXSHBJCIXOHT-GFCCVEGCSA-N	249.373	4.797	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cccc(C2(C)CC2)c1	2259451708	FBOLSRQHZBYYIW-CZUORRHYSA-N	246.394	4.598	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@]12CCCC[C@@H]1CC2	2260500903	MUJNLXAVKJDROZ-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@]12CCC[C@@H]1CC2	2260588076	QKYRAIWLDDQJHS-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
C1CCCC(CCNC[C@]23CCC[C@H]2CC3)CC1	2260632260	BZGMDOQRMITRSR-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CCCC1([C@H](C[C@]23CCCC[C@H]2CC3)NC)CC1	2260680693	YVDCRFKEFPHXOG-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCC[C@@H]1C[C@@H]1C	2297876670	QADKLPBXIALFRR-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)[C@@H](C)CC1CCC1	2298855237	YFNQOTUVFPMQOP-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CC1CCC(C)CC1	2300473550	ZWDONJNWCBCDJV-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC(C)C)CC1(C)C	2300681690	RPPMHIIBIZZAON-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@]1(CNC)CCC[C@@H](CC)C1	2300860267	FOWCTUANJFCJKP-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC/C=C/CNCC=C(C)CCCC(C)C	2300864046	WTVFHRWPYITKNN-JDBFBITMSA-N	237.431	4.705	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CCC[C@H]1CC=C(C)CC	2300926030	IIJKZJKHANWCGA-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C)[C@H](CC1CCCCCC1)C(C)C	2301138543	XBMQHGINFZQYAV-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CC[C@@H](C)C1	2301912608	JVCMCNWYTKNVJW-YPMHNXCESA-N	235.346	4.550	0	10	BJAE	
CCC1CCC(C[C@@](C)(O)[C@@H](C)C(C)C)CC1	2301919249	MUGIKRZAKHETBE-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)[C@H](C[C@H]1CCC(C)(C)C1)NC	2302689201	FLKOTCQWJGOCCC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)CC(C)(C)C2CC2)C1	2302878692	RLCCNMGBXWJRMB-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)(C)C1)C(CC)CC	2302903336	YTAXDEGZUDFTBG-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H](C)c2sccc2C)CC1	2303594046	BUSABQNVIPPUNU-KBPBESRZSA-N	249.423	4.596	0	10	BJAE	
CC1(C)CC[C@H]1c1nc(C2CC3(CC3)C2)cs1	2304452146	FDCIQSZKADBEND-NSHDSACASA-N	247.407	4.704	0	10	BJAE	
Cc1sccc1OCc1ccccc1C(C)C	2307188860	KKZIRZAVENRPTR-UHFFFAOYSA-N	246.375	4.759	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H](CC)CCC)C1	2307818780	DZTVHUAVCJRLFU-FHERZECASA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(C(C)C)CCCCCN1	2307824133	UUMUGTHOCTYXEF-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)C1(C(C)C)CC1	2307891358	BYHNLQFYPLLEED-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)C1(C)CC(C)C1	2307891915	BLQAKUYOZXFUDY-PWUWZPNHSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC[C@@H]2C[C@H]2C2CC2)C1	2309399248	MHUWVXGYYNYBPA-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](N)c1ccc([C@H](C)CC)cc1	2311535557	GKGDTSTYEOUNTI-YYQUZTFQSA-N	245.410	4.636	0	10	BJAE	
N[C@H](C[C@@H]1C[C@@H]2CC[C@H]1C2)C1CCCCCCC1	2312886984	LLFPQGGXRLORPU-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@@H](N)[C@H](C)CC(C)(C)C)ccc1C	2314694661	MNRMZLSLOXPUKC-CJNGLKHVSA-N	247.426	4.630	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1ccc(C)c(CC)c1	2314712605	QHPTWRBQDUOGFE-YOEHRIQHSA-N	247.426	4.774	0	10	BJAE	
CCC[C@]1(CN[C@H](C)CC)C[C@H]2C=C[C@H]1CCC2	2316731192	MVHTXHLHUZWZKH-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C1=C(CCC[C@@H]2NCc3ccccc32)CCCC1	2318572597	HBUFPYJHBZKKRN-KRWDZBQOSA-N	241.378	4.502	0	10	BJAE	
O=C(CCCC1=CCCCC1)C[C@@H]1C[C@@H]1C1CC1	2318579880	IZGIKJGHHPOHIH-NVXWUHKLSA-N	246.394	4.662	0	10	BJAE	
N[C@@H](CCCCC1CC1)CC[C@H]1CCCC12CC2	2318876101	NMSHLZGNHRYZJU-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H](Cn2ccc3cccc(F)c32)C1	2319308981	PMFHTYCSHHRPRR-LBPRGKRZSA-N	245.341	4.607	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1C[C@@H]2CCCC[C@@H]2CN1	2319869996	IWRLXKGWHJRHON-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)[C@@H]2CCC[C@@H](C)C2)CC1	2320240483	MKPLJLYPIUWLPQ-BASLNEPJSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CCC[C@@H](C)[C@H]2C)CC1	2320268725	SNVIKRMLBUMVTP-MWQQHZPXSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)C2C(C)(C)C2(C)C)CC1	2320388197	NTNGEQPEDFEHHI-KGLIPLIRSA-N	249.442	4.523	0	10	BJAE	
CC(C)CC12CC([C@@H]3CC(=O)CC(C)(C)C3)(C1)C2	2321642625	PYXRAORVGRZDHG-NVPAJSRCSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)CC2CCCC2)c1	2327661440	XKQRXTUGAMRRTN-KRWDZBQOSA-N	245.410	4.699	0	10	BJAE	
CCC(CC)[C@H](NC)c1cc(C)ccc1C(C)C	2327683397	ZMIBNUAHGKXPGQ-KRWDZBQOSA-N	247.426	4.815	0	10	BJAE	
CC(C)C[C@@H](C)Nc1cc(Cl)ccc1Cl	20002624	OBAAXNOJGJTGAQ-SECBINFHSA-N	246.181	4.840	0	10	BJAE	
CCCCC[C@H](NC)c1ccc(C(C)(C)C)cc1	35493488	LAIKYEDESCKYHE-INIZCTEOSA-N	247.426	4.825	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1C(=O)CC(C)C	36162753	PIEVXCSXPCNKLN-UHFFFAOYSA-N	232.367	4.521	0	10	BJAE	
CSc1ccccc1N[C@H](C)c1cccs1	36957403	PTIQTEJWMBVOLG-SNVBAGLBSA-N	249.404	4.643	0	10	BJAE	
Cc1cc2c(Cl)cc(Cl)cc2nc1Cl	63116157	LHNMPYXHXHKIQX-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CC(C)c1cc(Cl)n(C2CCCCCC2)n1	85019329	IBAMPWYIFMTAQV-UHFFFAOYSA-N	240.778	4.555	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CCC)CCCN1	85700251	PNIWOFHIMRCVSE-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CC1=C2CC[C@H](C)[C@@H]2C[C@@H](C(C)C)CC1	85827235	AAPYGFMEZRXPJI-YDHLFZDLSA-N	206.373	4.805	0	10	BJAE	
CCCCc1ccc(N[C@H]2CCC[C@H]2C)cc1	86671563	YIUUTBLEKGYEQF-CJNGLKHVSA-N	231.383	4.630	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cc(C)ccc2F)CC1	86896615	KAOWTYYLLNYLES-UONOGXRCSA-N	249.373	4.905	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](Nc2ccccc2)CC1	86921990	YRGJSBDYLCIZPN-GDBMZVCRSA-N	231.383	4.703	0	10	BJAE	
CCCC[C@@H](CC)CC1(CN)CCC(C)CC1	87932512	ZNVUWTLKGRMDDS-HWOWSKLDSA-N	239.447	4.748	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cc(C)cc(F)c1	91509675	DEGIFJCBUXIGLK-CYBMUJFWSA-N	237.362	4.905	0	10	BJAE	
Cc1c2c(c(C)c3c1CCC3(C)C)C(C)(C)CC2	96334244	GFNBSFGVTDGSBQ-UHFFFAOYSA-N	242.406	4.751	0	10	BJAE	
CCCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1NCCC	103939010	RLILLXAIOGSKCK-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)C1CCCCCC1	110206728	CDUZEAZIIZMNCH-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
C[C@@H](NCc1ccc(C(C)(C)C)cc1)C(C)(C)C	122469832	GTUPRZNMUBVKIO-CYBMUJFWSA-N	247.426	4.508	0	10	BJAE	
CC[C@H](C)C[C@](C)(O)c1cc2ccccc2s1	127025017	ZDHVUHOUGZZXRI-NHYWBVRUSA-N	248.391	4.545	0	10	BJAE	
CCCCC[C@@H](NC)c1ccc(C2CCC2)cc1	128830179	NCJQMRZTVCTHAR-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C(CCC)CCC	131063736	XYMVAVDAUMKQFG-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H](C)C2CCC2)CC1	137727577	UORFTWCFUYTUQI-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@@H](C)C(C)(C)C	161070417	AZWFLDRAPHCKOY-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC([C@@H](NCC)C(C)C)CC1	166589184	WYDASCIWFUUYSR-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CCCC1(C)C	226786707	XEDWYEXOKFVVMS-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C)NCC1(CCC)CC1	232966959	HNCVYPFPIAQXAH-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C1(C)CCCCC1	233168348	KTQVMUYAEGGTJG-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)Nc1cc(Cl)cc(Cl)c1	233348196	KRYKRNPMTPLGOJ-NSHDSACASA-N	246.181	4.984	0	10	BJAE	
Cc1cccc2c([C@@H](C)C(C)(C)C)c[nH]c12	235535538	NLOBDXOFONYNMG-LLVKDONJSA-N	215.340	4.626	0	10	BJAE	
Fc1ccc2c(c1)[C@H](CCC1CCCCC1)CN2	236250376	VADUKTDWLRRXSX-CYBMUJFWSA-N	247.357	4.695	0	10	BJAE	
CCC[C@@H]1C[C@@H](CC)CC[C@H]1CNC(C)(C)C	251187618	SOJXFTWWUPOWAH-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H](C)CC(C)C)CC1	251397658	VGFKLMZLTXGMMJ-BZUAXINKSA-N	239.447	4.760	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@H]2CC[C@H](C)CC2)c1	253145042	ZJDGLRGSGWOHQR-NUTKFTJISA-N	245.410	4.533	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2nc(S)cs2)cc1	259420206	VAJAAIULORVPDW-SECBINFHSA-N	249.404	4.612	0	10	BJAE	
CC(C)(C)c1c(C#N)ccc2ccc(Cl)cc12	260653852	QOVBAIZGGPICBI-UHFFFAOYSA-N	243.737	4.662	0	10	BJAE	
Cc1cccc(N[C@@H](C)CC2CCC2)c1Cl	300891355	OOIFXRJUTWQHPR-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C(C(C)C)C(C)C	304330364	DGBAPRJGVZQLDW-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](C[C@H](C)CC(C)C)C1	306019575	YESZKFOMKQTCHP-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H](CCC)CC(C)C)C(C)(C)C	308052550	NDZFUNXEKRUBOI-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCC(C)(C)C1=CCCC1	308758242	QZHQXGFAQVOKEF-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H](O)[C@@H](C)C1CCCCC1	309487029	GWAFCRUQVUFSHB-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)C1(CC)CCCC1	310128785	KDESEKVHFLLPLN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1nc(C(C)(C)C)sc1-c1ccc(F)cc1	310230803	PMPXJRBKLCGIKR-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCCCCC2=O)CC1	310487176	GHEVKCLNYZLUKA-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)c1ccccc1CC	310989897	VLAUAYWGWHYBLJ-NVXWUHKLSA-N	247.426	4.726	0	10	BJAE	
CNC[C@]1(CCCCCC(C)C)CC=CCC1	317250216	ORBXJQBLZUFCFI-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(C)NC[C@]1(C2CCCCCC2)CC=CCC1	317326208	POHJSRLYGWVDRS-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(CC)CNC(C)C	317891230	VWIPSFSDKXWTCZ-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1CCCC1)NCCC	379819869	VJORWJQHZARPDK-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C[C@@H](C)CC[C@H]1C	383161671	JAXMHFSDYUBWDF-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@@H]1CC[C@H](C)C1	383302865	UFFSAHJFVVKFHV-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@@H](C)c2ccccc2)C1	384286352	CVJZNZQSIMMLOV-BFYDXBDKSA-N	246.394	4.512	0	10	BJAE	
Cc1ccc(NC[C@@H](C)C2CCCCC2)cc1F	386145526	BSWDDLLTQPFDRH-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
Cc1cscc1N[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2	387244259	XQMSXPJLTINYIF-LNSITVRQSA-N	249.423	4.683	0	10	BJAE	
C1=C(CCNCCC2CCCCCC2)CCCC1	394530884	JYDILFUNLQYNCF-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
C[C@H](CCCC1=CCCCC1)CNC(C)(C)C	395317834	JXYTVAPSFRLXKO-CQSZACIVSA-N	237.431	4.681	0	10	BJAE	
CCc1cc2cc(C)cc(C(F)F)c2s1	396201971	QSXUZNLRTCUZMX-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCOc1cc(C(F)F)c2c(C)csc2c1	396253816	VITVJAALWPBBAA-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
COc1c(Cl)ccc2c(C(F)F)csc12	396293715	QZAURMRNYWSFNL-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C(C)(C)C(C)(C)C	398931942	RCBXMGDUAXKWAB-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NCCC)c1csc(C)c1C	399765541	HKSYFLYLHNCSAH-AWEZNQCLSA-N	239.428	4.596	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1coc2ccccc12	404708269	YXHFQCJBSPXTBV-WBMJQRKESA-N	246.350	4.539	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCC(C)(C)C1CC1)NC	405811977	MUNDRVHOFHBSNA-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CNc2cc(Cl)ccc2C)CC1	687548147	IJJVXRHSTYEUEV-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
C[C@@H](CNc1cccc2ccccc12)CC(F)F	688784937	BOJVWBZIHNQZQB-LLVKDONJSA-N	249.304	4.543	0	10	BJAE	
CCCC[C@H](NCC)c1cccc(C(C)C)c1	688920081	IALBRHRHIQUIHW-INIZCTEOSA-N	233.399	4.651	0	10	BJAE	
C[C@H](Nc1cccc(C2CCC2)c1)C1(C)CC1	690112246	VGQGKAAHUCHPTF-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1CC2(CCC2)C1	691901171	HKZUBBUOSGMGCT-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@@H]1CCCC1(C)C	692107151	RISQKBIKDSBCMD-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCC2(CC2)C1	695683929	QPMIGEPIOMBSTF-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)C1CCCCC1	696807284	IHOCIWPDEATAJB-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCC[C@@H](O)C1CCC(C(C)C)CC1	697598010	HJUOALDEAMRJQZ-UYSNPLJNSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)C2(C(C)C)CC2)cc1	700034264	GJJQVKXMWMTWRO-CZUORRHYSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@]1(C)CC1(C)C	702166532	RPFDPEHEQKWTGV-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCc1ccc([C@H](NC)[C@@H](C)CC(C)C)cc1	704752304	JLTXBUNTJRPSNC-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CC[C@](N)(C[C@H](C)C1CCCCC1)C(C)(C)C	704852894	RYEJEDIQBHIXAG-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC[C@@](O)(C[C@@H](C)CC(C)(C)C)c1ccccc1	709070556	GLTYIHRICTWGFS-WMLDXEAASA-N	248.410	4.747	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cs1	710727680	GEYGSQSSMSJBJU-UXIGCNINSA-N	249.423	4.683	0	10	BJAE	
C[C@H](C[C@H](O)CCCC1CCC1)CC(C)(C)C	711169034	JUSYNSBHDQIYAD-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1cscc1Cl	711522453	IUZZJDXRELSDLL-LLVKDONJSA-N	245.819	4.618	0	10	BJAE	
CCC1(CN[C@H](C2CCCC2)C2CCC2)CCC1	711835820	RKCVMXBAOKTEQJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC(C)(C)C(C)C)c1ccc(C)cc1	713141721	PRHJWZWVNNSARW-MRXNPFEDSA-N	247.426	4.718	0	10	BJAE	
C=C/C=C\CCNCC1CCC(C(C)(C)C)CC1	713499094	NIQXGUQKIDJQKF-SREVYHEPSA-N	249.442	4.561	0	10	BJAE	
C=C/C=C/CC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CN	713710135	MTNDHQLTIIYXTD-DQFTWKJFSA-N	249.442	4.546	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C1CCCC1)C1CCC1	718587613	IOFULWXHCZGQCX-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H](C)CCC	718604927	WSRAQOVUGQCQBZ-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CC[C@H](C[C@@H](O)CCC(C)=C(C)C)C(C)(C)C	718624706	CVCIJAJZYKQEPN-CABCVRRESA-N	240.431	4.946	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCCC(C)(C)C	720939973	JSVABFZQEGRHHC-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CNc1ccc(-c2ccc3sccc3c2)cc1	723895597	XPINFKDWOLURLA-UHFFFAOYSA-N	239.343	4.610	0	10	BJAE	
CCC(CC)CCN(CC)CC(CC)CC	1900709949	QCEPKCMSZLGTJH-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)[C@H](C)CC(C)C	1900716326	IQKZVOWOPQJUTM-UKRRQHHQSA-N	227.436	4.602	0	10	BJAE	
CCC(C)=CCC(=O)C(C)(C)C1CCCC1	1900852691	CEHNWMYDVAUIMW-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@](C)(N)C1(C)CCCCC1	1905604540	FFGDNVMJIVRCPM-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@@H](N)CCCC(C)(C)C	1907595046	VJBQFNBEILMKKE-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@H]2CC(C)C)CCC1	1909152818	YLHLZEUTXKEAPH-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCCCC(C)(C)C(F)(F)CC	1911778238	LTAKEVHGAPISQP-UHFFFAOYSA-N	216.315	4.970	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C1CC2(CCCCC2)C1	1912604956	QSFSIHMFJWQPHU-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCCC1(O)CC2(CCCC2)C1	1912715518	MPIXMSOABSMKMX-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H](C)C(C)(C)C	1920185862	MPZCDRPDGMKEPW-DZGCQCFKSA-N	227.436	4.747	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H]1CCC[C@@H](C)C1	1920194625	UFOQJBJYETZFPV-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](O)C1(C)CCCCCC1	1921552652	DDDOLMOVBKIVDH-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C[C@H](O)CC[C@@H]1CC1(C)C)C(C)(C)C	1921554539	VASRUJVNTGABNW-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H](C=C2CCC(C)(C)C[C@@H]2CN)C1	1927147499	MKEHAIKILIBWGE-IJEWVQPXSA-N	249.442	4.524	0	10	BJAE	
C1=C[C@H](CC[C@@H]2C[C@H]3CC[C@H]2C3)CCC1	1932605696	YKGHATVVRYZNLD-YJNKXOJESA-N	204.357	4.559	0	10	BJAE	
CCCC[C@@H](O)CC[C@H](CC)CCCC	1933360864	JGDHAZOKXQKVOC-ZIAGYGMSSA-N	214.393	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)c1csc(Cl)c1	1933587191	MXBHHGVULPXLGT-KCJUWKMLSA-N	246.803	4.507	0	10	BJAE	
CCCCC[C@H](NC)c1cc(Cl)sc1C	1933602435	LLHMCYXZWCRFCQ-NSHDSACASA-N	245.819	4.551	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H](CC(C)C)C(C)C	1936206852	LEOVQKHMZFWPPN-CYBMUJFWSA-N	226.404	4.700	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)C(C)(CC)CC	1940678936	VJXWCSLCEXOGOX-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)C[C@H](C)CC	1940857732	ZMZFGGNKJZILFO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](N)CC[C@@H]1CC1(C)C)CC(C)(C)C	1940859494	QEHFZKXQTRCEOT-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CC1(CNC(C)(C)C2CCCC2)CCCCC1	1945379091	HGQVIAXEVRPNOT-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCCCC1(F)F	1947265963	GONIUQBXBZYHGO-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C[C@@H](N)C[C@H]1C=CCCC1)C(C)(C)C	1947582325	RNOVAPDYHTVLPL-ZNMIVQPWSA-N	237.431	4.523	0	10	BJAE	
CCCC(CCC)[C@@H](CCC(F)(F)CC)NC	1947994160	VBVQKKBJAYMUGK-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCCCCCC1(CNC(C)C)CC2(CC2)C1	1948167958	ADKFQHPHQYKMGA-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC[C@@H](C)C1CCCCC1)NC	1948422614	IKEUJNXVGOZMIN-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CCCC(C)(C)C1CC1)NCC	1948430208	PHEHOJSYNOYQRH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H]3CCCC[C@@]3(C)C2)cs1	1948597217	WSLCFMUPNUNQBW-NFAWXSAZSA-N	249.423	4.827	0	10	BJAE	
CN[C@@H](CC[C@H](C)C(C)(C)C)CC1CCCC1	1949856535	CBOIAZYUDNJPKK-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2nc(C)cs2)CC1	1958424990	PADFYACQIGYEDS-NEPJUHHUSA-N	223.385	4.525	0	10	BJAE	
C[C@@]1(CCC2=CCCC2)CCCC1(F)F	1960756264	FZPJCDNABLBDQU-LBPRGKRZSA-N	214.299	4.702	0	10	BJAE	
C[C@]1(CC[C@H]2C=CCC2)CCCC1(F)F	1960757931	VBJXMKFYTSJDPP-NWDGAFQWSA-N	214.299	4.558	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CC[C@@H](C(C)C)C1	1963228998	OEFIEZWWTKUXQP-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1CN[C@@H](C)C(CC)CC	1966187478	LBAHZXCTKXYEKS-AWEZNQCLSA-N	247.426	4.553	0	10	BJAE	
C[C@H](CN1c2ccccc2C[C@H]1C)CC(C)(C)C	1968232842	MMMMMZSIOWZGDW-UONOGXRCSA-N	245.410	4.510	0	10	BJAE	
Cc1ccc(OCC2[C@@H]3CCCCC[C@@H]23)c(C)c1	1968397115	WHCCXRNDSUYRMG-HUUCEWRRSA-N	244.378	4.509	0	10	BJAE	
CC[C@@H](CN[C@H](C)c1ccc(C)c(C)c1)C(C)C	1973385937	NJTDLQFHADKYRY-CVEARBPZSA-N	247.426	4.636	0	10	BJAE	
CC=CCCCc1nc(C)c(C(C)(C)C)s1	1984616651	OPATZXPRMCSXEL-UHFFFAOYSA-N	237.412	4.648	0	10	BJAE	
CC(C)=C(F)COc1cc(C)c(Cl)cc1C	1989923601	BPJDLQAPYCBPLC-UHFFFAOYSA-N	242.721	4.599	0	10	BJAE	
CCC/C=C/CNc1ccccc1SCCC	1996564029	LZLLMPADJFLIBT-RMKNXTFCSA-N	249.423	4.957	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@@H](C)CC(C)C)CC1	1997108174	GYNZQDMJFWFZSG-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H](C)CC(C)C)CC1	1997116103	JDRKGGCILLAVJC-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC[C@@H](CC2(CO)CCCCC2)C1	2000034761	VBOZFSKTDZSABQ-CQSZACIVSA-N	238.415	4.536	0	10	BJAE	
Cc1cc(C)c(C(=O)CCC2=CCCCC2)s1	2000211707	NZHNGQSGSIKGIC-UHFFFAOYSA-N	248.391	4.828	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C1CC(C(C)C)C1	2002321521	DCKTYGKSUWGNRC-NFOMZHRRSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@]1(C)CCCC1(F)F	2002577022	QLHOKPFQBCHCAK-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCCCCN[C@@H](C)C1CCC(CCC)CC1	2002924327	HRQBBBAHEAJNAF-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CCCC2CCC2)C1	2002989930	DKJXRALYFGLVHS-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CN[C@@H]1CCCCCC[C@@H]1C[C@@H](C)CC(C)C	2003097061	COOJFGLJSIZSLN-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCCCCCC[C@@H]1N	2003117381	NOVRKDSYKRNWSQ-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@@]1(C)C=CCC1	2003328273	BUJKPYMGWYDMKO-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(O)(CCCC(C)(F)F)CC1	2004339142	LROJGPLRTCALGW-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(CO)CCCCC1(C)C	2005583843	RHCOMCBSSMXYNG-GDBMZVCRSA-N	240.431	4.638	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@@H]1CCCCC12CCC2	2005598135	AVBQXAABWSIARV-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
Cc1cc([C@H](C)Nc2ccc(CF)cc2)cs1	2007029408	ZYRIZMRQALDCKK-NSHDSACASA-N	249.354	4.699	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CCCCCC2CC2)CC1	2009404235	LSOWAZOQIFMZLF-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@@]1(CNCC)CCCC[C@@H]1C	2009617949	XOKJJADASFLKMG-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CCC[C@@]1(N)CCCCCC12CC2	2011276107	YKARSZGXTKEDNX-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC(=O)CCC1CC2(C1)CC(C)(C)C2	2011846530	BXXRFAXWRNZGGB-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)c(C(=O)C23CCCC2CCC3)s1	2012133689	BKZNRGOTOPLERI-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCC1(C)CC(C(=O)CC(C(C)C)C(C)C)C1	2015383271	KNCVXIPGQSRZMV-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@H](O)CC2CC(C)(C)C2)CCC1	2015632794	FDAIHYPCMBNCDB-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CSc1ccc(N[C@H](C)CCC=C(C)C)cc1	2016135387	FKXNEZZKIGFTFE-CYBMUJFWSA-N	249.423	4.955	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC1(C(C)(C)C)CCC1	2017114311	KKOGMMOMIXYIIV-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)CC1(C(C)(C)C)CCC1	2017146534	UIHMEKYGEBUXMW-ZIAGYGMSSA-N	239.447	4.616	0	10	BJAE	
CC[C@](CNC(C)C)(CC(F)=C(C)C)C(C)C	2017467755	YQAOSNRLFHULOH-OAHLLOKOSA-N	243.410	4.690	0	10	BJAE	
CCN[C@H](CC[C@H]1CC[C@H](C)CC1)CC(C)C	2017728644	NRMZSCRFBMZVGQ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC)[C@H](C)C[C@H]1CC[C@H](CC)CC1	2017731347	QLQHNBZIIXQCEU-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(C2CC2)cc1	2017745687	CVAMETWWZFRBDU-LBPRGKRZSA-N	231.383	4.801	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H]1CC[C@H](C)CC1	2018134563	PUQBRERRUFUUKB-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCCC1(C[C@@H](NCC)C2(CCC)CC2)CC1	2018996628	UZSLIHJXUCHZLE-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCCN(CCCC(C)(C)C)C1	2019328232	ORWGIWYWKSCSLX-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CC[C@H]1CC(C)C	2019420807	ITNHDGJLMOTQDS-HRCADAONSA-N	239.447	4.568	0	10	BJAE	
CCCN(C1CCCCC1)[C@H]1CCCC[C@@H]1C	2020533580	BTSLCLRSUAEUJL-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCCC=CCNc1ccccc1C1CCC1	2021026182	MSKHUUFVFVZCHZ-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CC1(C)CCC[C@@H](CSc2cccc(N)c2)C1	2024101383	KGAQJPXVXIRHHP-GFCCVEGCSA-N	249.423	4.577	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CC[C@@H](C(C)C)C1	2025575630	YKOIAERAUIBWJL-ARFHVFGLSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CC1CCC1)NCC	2026169350	HZGSZEOUQILJFP-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C=CC=CCCNCC1CC(C)(C)CC(C)(C)C1	2027030437	TVEVXHFMNIDCQW-UHFFFAOYSA-N	249.442	4.561	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](O)CCCC1(C)CC1	2027854062	BGFOVPRPSDPILL-HOTGVXAUSA-N	246.394	4.512	0	10	BJAE	
CCCC(N)(CCC)c1ccccc1C1CCC1	2028549524	NMCCMFFXSRRBHM-UHFFFAOYSA-N	245.410	4.708	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)[C@@H]1CCC1(C)C	2033578386	VQSNMYXCFWKUBQ-HNNXBMFYSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@@H]1C[C@@H]1C=CCCC1	2035594513	VRGGNNXJKRIVJA-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)CC1CC2(CC2)C1	2036727757	PKJACGHIKGDSHZ-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](N)[C@@H](c1ccccc1)C(C)C	2037093710	OKWFLIPSWQOPGT-IAGOWNOFSA-N	247.426	4.580	0	10	BJAE	
C[C@H](C[C@]1(N)CCC2(CCCCC2)C1)C1CCC1	2037161312	ZTUUKITWHIFPOU-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@]1(N)CCCCC12CCC2	2037177941	ILETUQLPGACMTP-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H]2CNC3(CCCCC3)C2)C1	2037720220	GKLKNKAZZALRJR-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@H]2CC23CCCCC3)cc1C	2039058334	LZEDHGUKYSASFQ-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@@H]1C(C)=CCC[C@@H]1C	2039439130	XOYRWZIUTUWVGK-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H](C)NC1CC2(C1)CC1(CCC1)C2	2039459637	FNXXRRCDWUBBOU-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]2CC[C@H](C2)C1)C1(C)CCCCC1	2039845905	GYSWXFNVKNUBOY-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)C2CC3(C2)CC(C)(C)C3)C1	2040149346	KTAFOGRUNPVWJZ-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CC[C@H](C)C2)CC=CCC1	2040170833	AAIUQDLTXOVJHS-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C2CC3(CCC3)C2)CC1	2040643117	BSRZORVFZCLELX-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)CNC1C[C@@H]2CC=CC[C@H]2C1	2042343962	BQKDOJRMGCMMEQ-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NCCCCCC1CC1	2043193239	GKERDHNFRKUKQR-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1C[C@@]1(N)CCCC2(CCCCC2)C1	2043453415	JGYLSVFHHQGFFC-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)C2CC(C)(C)C2)c(C)c1	2043544919	UUSRACCAUAPYOS-AWEZNQCLSA-N	245.410	4.848	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC=CCCC1)[C@@H]1CC1(C)C	2045305816	SQFIGXSTDBJHOK-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C[C@H]1CCC=CCCC1	2045317428	LVGGUDLOECCGBE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@@H]1CCC=CCCC1	2045317429	LVGGUDLOECCGBE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CC(C)=C[C@@H](C)C2)C1	2045559644	BFYQGEVPIDOZRB-OJLVUWQFSA-N	248.410	4.764	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1CC12CCCC2	2047051038	AVHNXEFACASUGG-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C1CCC(CN[C@@H]2C[C@H]3CCCCCC[C@H]32)CC1	2047437732	NXTKQDTUFMAGAT-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(c2ccc3c(c2)CCCN3)C1	2048633561	JSPBONZTYCFANT-UHFFFAOYSA-N	243.394	4.584	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)C[C@H]1CCC2(CC2)C1	2049856432	LILHPFBMBNSGSI-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1c(C)oc(C)c1C	2051409274	POHFMUSFMAFMIL-HNNXBMFYSA-N	249.398	4.602	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CC23CCCC3)CC1	2051592074	KAZARJYVSSUCNZ-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C1(C2CCC2)CC1	2051908207	JUXCKRMDGPPFJV-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCC[C@@H]1CNC[C@H]1C=CCCCC1	2053394906	UDQJUSNRKUWRPN-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2CCCCC23CC3)CCCCC1	2053409613	AWCVOAGCNZKKAX-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C[C@H](Nc1ccc(CF)cc1)[C@H]1CCC[C@@H](C)C1	2055678043	LZZSTTWXGVEPRK-IPYPFGDCSA-N	249.373	4.783	0	10	BJAE	
CCC1CCC([C@H](N)C2=CCC(C)(C)CC2)CC1	2061087535	GNSKPIIHFLJIPB-XUJLQICISA-N	249.442	4.667	0	10	BJAE	
C1CCCC(CCNCC[C@]23CCC[C@H]2C3)CC1	2061571420	KIWABNYIEPTJIJ-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CC[C@@]23CCC[C@@H]2C3)C1	2061601587	IOVICUVPMUWQLQ-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CN(CC)CC1CC(=C2CCC2)C1	2061680605	YQRWCLWTKRRHLW-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
C[C@H]1C[C@@H]1CCCOc1ccccc1C(C)(C)C	2062617655	ATWDUWZABVSOAX-KBPBESRZSA-N	246.394	4.799	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1C[C@H]2CCC[C@@H]2C1	2063511471	TYUMAYBOUXQVJD-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063536910	XBADMXCANWPYRC-PHZGNYQRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)CC12CCC(CC1)C2	2065273793	APFMZUJLEAJIMZ-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H](CC2CC(C)(F)C2)c2ccccc2N1	2065817806	RFSZHQITFYMZTM-ISGSLZAZSA-N	247.357	4.503	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@](C)(N)[C@H]2CCC2(C)C)CC1	2068273429	JVYHCDQNODBFDV-UKPHBRMFSA-N	249.442	4.523	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H](C)[C@H]1CCC1(C)C	2068289772	WLJYWEVRKOUWQY-IIAWOOMASA-N	249.442	4.680	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)c1ccccc1C1CCC1	2068815486	AGJRKXQCXHKJSX-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CCCC1(C[C@]2(N)CCCCC23CCC3)CCC1	2069343445	ZWKDHEQWKQDKEE-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCCC1(C[C@@H](N)c2c(C)oc(C)c2C)CCC1	2069345200	RRMWWMVOVROMRK-CQSZACIVSA-N	249.398	4.565	0	10	BJAE	
CCN[C@@H](C[C@H]1CC=CCC1)C1(CC(C)C)CC1	2069518779	DKGQSDRZFQDAAA-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2(CC3CCC3)CC2)C1	2069561884	NGAVXIXFPLXABH-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C2(CC3CCC3)CC2)C1	2069580352	IWSGHYFPTILNHB-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccccc1OC[C@]12CCC[C@H]1C2	2070918337	PDVRIKJMZNAVGK-SUMWQHHRSA-N	244.378	4.553	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)CC23CCCCC3)CCC1	2071941185	QRHSTUBUELNHHL-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNC2CC2)CCC[C@H](C)C1	2072407880	NLVQZTCNYOGTLJ-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNC(C)C)CCC12CCC2	2072411454	PKPLQHALGBSGOW-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)C[C@H]3CCCC[C@@H]32)CC1	2072801192	LQUNWBIJDQUPEX-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H]2C[C@@H]2C2CC2)CC1	2072881366	IIVDAGMOVGYJQD-XOUADPBQSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C=C1CCN[C@H](C2CCC2)C1)CC(C)(C)C	2073772731	STTNAROQOLMJGM-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@H]2CC23CCCC3)CC1	2074641802	MXZSHZDIINMEGJ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](NC)[C@@H]2CCCCC23CCC3)CC1	2074649065	PPYHBYDAPJULLZ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1[C@H](C2=CCCCC2)CCCC1(C)C	2076402004	QDLJDHKPGIDBIU-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
O=C(C1CCCCCC1)[C@@H]1C[C@@H]1C1CCCCC1	2079493297	WSSFUODEOQWWRT-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
C1CCCC([C@@H]2C[C@H]2NCCC2CCCC2)CC1	2079529514	MALCRMUXZLYZAL-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
N[C@H](C[C@H]1C[C@H]1C1CCCCC1)C1CCCCC1	2079645205	PQONQDSCBUFGHC-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H]1CCCC[C@@H]1CC	2080252148	MHZFSOIDTGTKAP-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](N[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1	2081140173	HUPDZISWWMVDCL-WRQOLXDDSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1[C@H]2CCCC[C@H]21	2081779505	GORAUSMRIDRYKB-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C(=O)c1cccc(C(C)(C)C)c1)C(C)C	2083549025	GRLQEFRCNJXJKK-OAHLLOKOSA-N	246.394	4.849	0	10	BJAE	
CCC[C@@H](CC)NCCCCCCC1CC1	2210527138	ODZGQDABCNOAMZ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@](CC)(CCC)CN[C@@H](C)CC	2212580794	REGREFZWJCLTFK-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCCC1([C@@H](N)CCCCCCC2CC2)CC1	2213572477	WIKZAZFRGQEECS-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CC[C@H](n2ccc3cccc(F)c32)C1	2214771614	CAROLDCCUPSWDP-LBPRGKRZSA-N	231.314	4.532	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C[C@@H]1CC[C@H]1C	2214978530	GWDVAEMOBMJJDT-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CCCCC(F)F)CN[C@@H](C)CC	2217145323	OLGUNIBNXIDSNY-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)CCC(F)(F)CC	2217155467	CLGSBDFQBLELOT-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)[C@@]1(CN[C@H](C)CC)CCC1(C)C	2217157521	TWFZJNCNPUGNBG-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C/C=C/c1ccccc1	2219089753	FJYKIZHYGQVSME-FWVUHSSSSA-N	243.394	4.554	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2CCCC2(C)C)CC2(CCC2)C1	2221031531	HGEVPRXXJUQZOM-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@H](NC)[C@@]2(C)CC=C(C)CC2)CCC1	2221621460	DQJZJJWEXXYHSS-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@H](CNC2CCCCCCCC2)CC1	2221630645	KBNZZLNYMZJWNB-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@@]1(C)CC=C(C)CC1	2221632376	QJUCWXTZJZRRAO-SJORKVTESA-N	247.426	4.623	0	10	BJAE	
CCC[C@H](NC[C@]1(C)CC=C(C)CC1)C1CCC1	2221642325	DNNCDDFBQFEDNU-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](Nc2cccc(F)c2)C1	2222254922	DKECGJCTWWONQD-OCCSQVGLSA-N	249.373	4.843	0	10	BJAE	
O=C(CCC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1	2222956204	ZXOJBTPYCWCFIW-IJEWVQPXSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2C[C@@H]2C)CCC=CCCC1	2223547823	OFLSOADFKSGKCM-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](C)[C@@H](O)CCCC(C)(C)C)cc1	2223969343	WBGFJMQTRKXTNF-ZBFHGGJFSA-N	248.410	4.676	0	10	BJAE	
FC(F)[C@H]1CCC[C@H]1CCC1=CCCCC1	2244084703	PZHCWSAJXYTYPM-STQMWFEESA-N	228.326	4.948	0	10	BJAE	
C[C@H]([C@H](N)CC[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2246659842	LFYACRMUXXEJOU-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@H](CCCC2(CO)CCCC2)C1	2246726557	KMBHSTLITZDYSU-LSDHHAIUSA-N	238.415	4.536	0	10	BJAE	
CCNCC(CC)(CC)CCCC[C@@H]1C[C@@H]1C	2247164936	KRTDBIJBYDXNBW-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCCCCC[C@H]1C[C@H]1C	2248875371	ZMNNRBJZHJEVPH-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)C1=CCCCCCC1	2250355308	KKUZBJFGDSXNHN-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)c1ccco1	2250481553	NDCDYPAMHDXTDR-UONOGXRCSA-N	237.387	4.522	0	10	BJAE	
CNCC[C@@](C)(F)CC[C@@H](C)CCCC(C)C	2250484182	CFPSLMSBGAFJGR-GJZGRUSLSA-N	245.426	4.567	0	10	BJAE	
CCCCCC[C@H](N)C1CC(CC(C)(C)C)C1	2251540223	ZLFGALNDILQBNU-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
O=C(CCCC1CC1)c1ccc2ccsc2c1	2253060818	LWJAJHJWJUYDDF-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC2CC3(CCCC3)C2)[C@H](C)C1	2254111463	YCMRRVUFNQHFBH-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@H](N)CC2CC3(CCCC3)C2)CC1	2254112443	FXYHYCREYYUXDH-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)[C@H]1CCCC2(CC2)C1	2254611949	SZCYYRTXOJAUME-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@H]2CCC2(C)C)c2ccccc2N1	2255026469	ITUHCYKOPDVJOW-HZSPNIEDSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](CC2=CCCCC2)C1	2255097599	UTYGOOCPIZOZKL-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
COc1ccc2cc(CCC=C(C)C)ccc2c1	2256940003	KQVBDIXTCDEWJZ-UHFFFAOYSA-N	240.346	4.747	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCC[C@H]2CC[C@@H]21	2257339286	KBSYNWPCLSIMLK-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@H]2CC23CCC3)c1	2257907584	QYBKCLCCRDDKKB-CQSZACIVSA-N	243.394	4.586	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc(CC(C)C)cc1	2259434683	DPRZBERSZXTSFE-OAHLLOKOSA-N	246.394	4.894	0	10	BJAE	
O[C@H](CCC1=CCCCC1)[C@@]12CCCC[C@H]1CC2	2260521101	OWFKPSMZYHHNLM-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(CC(=O)[C@@]23CCCC[C@H]2CC3)CCC1	2260521469	QNZCIEBZLUYKNQ-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@@]23CCC[C@@H]2CC3)CC1	2260580799	BXVJXEUEAAAIBH-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@@]23CCCC[C@@H]2CC3)CC1	2260632126	AWOVCDYFSOYLOW-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1C(=O)c1cccc(C2CCCC2)c1	2260727402	OPULQQSHJSUTOJ-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2CC(C)(C)CCC2(C)C)CC1	2261399525	BTLLXJHYSVGKSJ-LSDHHAIUSA-N	249.442	4.680	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CCC[C@@H](C)[C@H]1C	2300688065	JQKWMHDLRQJRBU-IIAWOOMASA-N	239.447	4.569	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1CCCC12CCC2	2300704351	QGUMLITWFLNWLL-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CNc1cc(F)ccc1C(F)F	2300826277	LCSHVYWWAAJWFE-VIFPVBQESA-N	245.288	4.611	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1CC1CCCCCC1	2301148075	QGBYLBOHETXBFS-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC([C@@](C)(N)CC2CCCCCC2)C1	2301148178	RKZFZJUHTKMHIN-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)n1ccc2cc(F)ccc21	2301831763	GDCDWZGVRZACJU-NWDGAFQWSA-N	233.330	4.634	0	10	BJAE	
CC1CCC(N)(CCCC2=CCCCC2)CC1	2302352375	SSSYWTHTQZXTRG-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)C[C@H](F)C1(N)CCCCC1	2302588141	YTBAYDKGGKLGTR-KBPBESRZSA-N	243.410	4.593	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC(C)(C)C1)[C@H](C)CC	2302674605	CGJPOCCMLBRMQY-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@H]1CCC[C@@H](C)C1	2306835169	PQTWUAIIEIPOGJ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CN1CCC(CC)(CC)CC1	2307760949	NHUXZKUFMMNBLA-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1CC(C(C)(C)C)C1	2307924002	MVZSAUXYBZGTOP-IYXRBSQSSA-N	238.415	4.844	0	10	BJAE	
C=C=CCC[C@@H](NCC)[C@@]1(C)CC[C@@H](C)C1(C)C	2310373949	KSQHEVZHLYTBPN-BFYDXBDKSA-N	249.442	4.548	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2311717467	CEJMYTSLBSNEGK-BQJWPVKWSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@]2([C@H](N)CCCCCCCC3CC3)C[C@H]12	2312598933	QHMCQNGRVSNNAH-SVGFKBNWSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CNC(C1CCCCC1)C1CCCCC1	2316360763	QAVDODCQHWPGBS-NSCUHMNNSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@@]1(N)C=CC[C@H](C)C1)CCCC(C)C	2316560450	QOCWMHONIXFQGE-IRXDYDNUSA-N	249.442	4.833	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@@H]1CCC2(CC2)C1	2316884809	JXMIIROTCRQXCW-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2317001701	AXSVQNAYFVGJAA-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
CC(=C1CCNC2(CCCCC2)C1)[C@H](C)C(C)C	2317825364	XHDXXXWCWMIJQX-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@]12CCCC[C@@H]1C2	2317911016	JFYWIUPZPKWSEL-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CCNC[C@H]1CCC[C@@H]1CCCC1=CCCCC1	2318582701	GTJRFQMDOZYDDJ-DLBZAZTESA-N	249.442	4.683	0	10	BJAE	
c1cc(N[C@@H]2CCCC[C@@H]3C[C@H]32)cc(C2CC2)c1	2319346913	DWRKTGSHLWUGLT-DJIMGWMZSA-N	241.378	4.555	0	10	BJAE	
C1CCC(CC[C@@H]2C[C@H]3CCCC[C@H]3CN2)CC1	2319777373	GEGDZEQLVKRIJB-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)CC2CCCCC2)CC1	2320418224	AGXQAHIOKYDURE-NVXWUHKLSA-N	249.442	4.824	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@H]2CC[C@@H](C)C2)c1	2320520964	MBJQKBVTURCVDS-JKIFEVAISA-N	245.410	4.636	0	10	BJAE	
C[C@](N)(CC1CCCCC1)[C@H](CC1CC1)C1CC1	2320766236	RVQAEFIMHWZTDI-SJORKVTESA-N	249.442	4.501	0	10	BJAE	
C[C@]1(N)C[C@H]2CC[C@H]1C[C@@H]2CC1CCCCCC1	2327756432	SNNYCGWKRDMRBN-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](Nc1ccc(C)c(F)c1)c1cccs1	19985116	SVWVGNNCOREHEA-CYBMUJFWSA-N	249.354	4.759	0	10	BJAE	
Cc1cc([C@H](C)Nc2ccc(C)c(C)c2)c(C)o1	20438167	MGQNBWSSLMJNAR-ZDUSSCGKSA-N	243.350	4.686	0	10	BJAE	
CC[C@H](NC1CCC(C)CC1)c1ccc(C)cc1	21048885	WRQZGBZPICDBFZ-PREGVCBESA-N	245.410	4.614	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC[C@H](C)C2)c1	21790177	ROYSLPQSEITQJL-ZFWWWQNUSA-N	231.383	4.801	0	10	BJAE	
CC(=O)c1ccccc1-c1cccc2ccccc12	38069582	MFYGZRKSQAJUGZ-UHFFFAOYSA-N	246.309	4.709	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@H](N)C(C)(C)C	70743275	KCKFZUSSXAGNHU-KGLIPLIRSA-N	227.436	4.747	0	10	BJAE	
Cc1cc(C(C)(C)C)cc(C)c1C(=O)C1(C)CC1	71559346	VJHFEAZWIHZFAP-UHFFFAOYSA-N	244.378	4.584	0	10	BJAE	
CCC1=C(C)CC(C)(C)c2ccc(C)cc21	71787099	AEOFUXUKEGCKJW-UHFFFAOYSA-N	214.352	4.860	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)(C)C)cc1)C1CC1	86115543	FSKISMYWBLYLDL-HNNXBMFYSA-N	231.383	4.585	0	10	BJAE	
CC1(C)CCC[C@H](Nc2cccc(F)c2)CC1	86893823	AFXNQUDZDRCVGK-ZDUSSCGKSA-N	235.346	4.597	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC(C)(C)CC2)c(F)c1	86896508	IEQXYHWABFQQFD-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
Cc1cc(C)c(C(=O)CCC2CCCC2)s1	88047230	JPKYCUNBCIVRRC-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(OCC)cc1C	103978498	OECKQDDOBDKKIE-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)Cc1cccc(C)c1	109709743	CFZXAUVVPGYBCG-OAHLLOKOSA-N	246.394	4.713	0	10	BJAE	
CCCCC[C@@H](C[C@H](C)C(C)(C)C)NCC	125330689	JLHHJOKFFLDXCK-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C/C=C/Cn1c(-c2ccccc2)cc2ccccc21	128476718	IXEYUBOGLWYFJN-NSCUHMNNSA-N	247.341	4.884	0	10	BJAE	
CC(C)CC(=O)CC[C@@H]1CCCc2ccccc21	131377196	SANCNCCZTRZRHC-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
Cc1cc(C)cc([C@H](C)NCC2(C)CCCC2)c1	132614055	JHKJVKIVVXASQT-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](N[C@H](C)c2ccco2)CC1	160761170	SHXOAGWOUCSOAA-ILXRZTDVSA-N	249.398	4.535	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC1=CCCCC1	161035258	GSEVHYIYUFASKY-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H](C)C(C)(C)C	162688859	NKECVCZCMYVRFZ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](c1cccc(CC(C)C)c1)C(C)(C)C	165745327	XZGQHUWDMJZKCW-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CC(C)CCC[C@@H](N)c1ccc(C(C)C)cc1	165792611	ZEGBYLDHRDIZLY-MRXNPFEDSA-N	233.399	4.636	0	10	BJAE	
CCCC(C)(C)Nc1nc2ccccc2cc1C	169061603	ZJHALYPCDPUNFK-UHFFFAOYSA-N	242.366	4.534	0	10	BJAE	
CCC(CC)C/C(C)=C\CCNC(C)(C)C	216153999	QNIWOUHIDUEUOP-RAXLEYEMSA-N	225.420	4.537	0	10	BJAE	
Cc1cc([C@H](C)NCCC2=CCCC2)c(C)s1	228585584	MALRNQIKWRIHQF-LBPRGKRZSA-N	249.423	4.516	0	10	BJAE	
CCC(CC)[C@H](NC)c1ccccc1C(C)(C)C	228694738	IANHZSXLRHPOSR-INIZCTEOSA-N	247.426	4.681	0	10	BJAE	
C[C@@H](CC(=O)C1C[C@H](C)C[C@@H](C)C1)C(C)(C)C	229187345	SMYDACACDXCHEX-UPJWGTAASA-N	238.415	4.700	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CN[C@@H]2CCCC(C)(C)C2)C1	235396400	HUUKWSPNAIZXOV-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@H](O)[C@@H](CCC2CCCCC2)C1	302266755	QDPQDAYLKXHYDL-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@@H](C[C@H](C)CC(C)C)NC)CCCC1	302281678	FGRQUQXWICYTHE-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(C)c(CC)c1	305984787	IJVHGQFYEHXNPV-HNNXBMFYSA-N	233.399	4.938	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)c1csc(C)c1	308066505	XRGYCCLZJJWMCK-JSGCOSHPSA-N	239.428	4.519	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1ccc(C)c(C)c1	308105178	IVUBFHDEFIQMIA-HNNXBMFYSA-N	246.394	4.949	0	10	BJAE	
C[C@@H](CCCC(C)(C)C)[C@@H](O)c1ccccc1	309993974	PPLLRSJBFYSOIP-DZGCQCFKSA-N	234.383	4.573	0	10	BJAE	
CCCCC[C@]1(C)[C@H](CNC(C)(C)C)C1(C)C	310067249	URFCGTXSMFKFKP-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@H](N)C2CCCCCCC2)CCCC1	310480350	CTMFNYMEJFOFAF-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](C(=O)c1ccccc1)[C@@H]1C=CCCCCC1	310609328	AOAFKWQETVVGFC-HUUCEWRRSA-N	242.362	4.642	0	10	BJAE	
CC(C)[C@H](N[C@H]1CCCC12CCCCC2)C1CC1	313011184	QBDWGOVZCXZRCE-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@]1(CCCC(C)C)CCCC[C@H]1C	317381781	HLUZLFHNCBXGRG-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](N[C@H](C)c1ccc(C)c(C)c1)C1CC1	324115805	OVFUHYFHAHVSJK-PBHICJAKSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@@](CC)(CO)CC1CCC(C)CC1	380225631	WTTSQPAANUPEEZ-UYSNPLJNSA-N	240.431	4.782	0	10	BJAE	
CCNCC/C=C(\C)C[C@H](C)C1CCCCC1	382416376	MIDRIDINGLLZEP-HNRFISLBSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](CCCC(C)(C)C)NC)C1	382667383	PMCSZVHWJXXUBU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C1(CC)CC1	383504765	ZUKGJYJLVXLRTR-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCNCC(CC)(CC)C[C@H]1CCC[C@@H](C)C1	383875271	IKLZASNXFNPPEL-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](C)C[C@H](C)CC1CCC(C)(C)CC1	383900852	NPOFXSKMSCHFQD-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Cc1c([C@@H](N)CCC(C)C)ccc2ccccc12	384331218	ADWHGFXGUFMEEV-KRWDZBQOSA-N	241.378	4.584	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)c1ccccc1CCC	384562706	SKBGOZVPSZIHHP-HUUCEWRRSA-N	247.426	4.521	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)c1ccc(C(C)(C)C)cc1	384587848	LXEYSICNQQVZLQ-QGZVFWFLSA-N	248.410	4.628	0	10	BJAE	
CNC[C@@H]1CC[C@H](C)C[C@@H]1CCC1=CCCCC1	384901793	AQPQZJAGGOOMMP-XIRDDKMYSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(F)cc(C(=O)C[C@H]2CCC[C@@H](C)C2)c1	385199754	SFYQHDBPIIHBRM-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
CC[C@@H](C)CCNc1cccc2ccsc12	394399852	HPKUXFPOIKNNFM-LLVKDONJSA-N	233.380	4.749	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CCCC12CCC2	394756065	BDFDFBDPXQXAIF-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)[C@@H](N)c1ccc2ccccc2c1C	394984776	AEKMKBDRNCRJSD-QGZVFWFLSA-N	241.378	4.584	0	10	BJAE	
Cc1ccc(F)c(NCCCC2CCCCC2)c1	395175795	OVOLCOCAOHCBNS-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCc1c(C(F)F)cc2sccc2c1CC	396216096	DGDLHZJWRVNTTC-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CSc1c(C(F)F)cc(C)c2ccsc12	396412727	WIHLKWJMJUXMCM-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC[C@H]1CC[C@](CCC2CCC2)(CNC2CC2)C1	398666913	QLSRKCLWNFHFEN-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC(C)Cc1ccc([C@H](O)[C@H](C)C(C)(C)C)cc1	399115689	DFARLKARELUDCE-XJKSGUPXSA-N	248.410	4.601	0	10	BJAE	
Cc1ccc(O)cc1-c1ccc(C)c2ccccc12	400234194	HZRXVKOOTXVPDT-UHFFFAOYSA-N	248.325	4.829	0	10	BJAE	
CCCC1CCC(CN)(C[C@@H]2CC=CCC2)CC1	402197326	CBMPWNQGKSUWSR-AQFXKWCLSA-N	249.442	4.668	0	10	BJAE	
CCCC1(C(=O)CC(C)(C)c2ccccc2)CC1	686736694	QTKQDDCTEMDZTH-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCC1(CN[C@@]2(C)CCCC[C@H]2C)CCC1	687280074	ZVEGZOAMRSRUIL-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCc1ccc(NCC2(CCC)CC2)cc1	687549736	FIFYGCREBZLZBW-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2CC=CCC2)CC1	690509735	CEMHSBRVKOFJAB-AQFXKWCLSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](CC(C)(C)CC)NC	696248679	KOMOVJFGDFYMJJ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)CC(C)(C)CC	696266856	MBFQXMFQMYZNML-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCC=C(C)C)NCCC	697758972	NPRXALICUDUTAN-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CC(C)=CCCC(=O)c1ccccc1C(C)(C)C	697835692	NAROKROZRKGWBR-UHFFFAOYSA-N	244.378	4.913	0	10	BJAE	
CCCC(N)(CCC)[C@H]1CCC[C@H](CC)C1	704979378	PUYYNFKYFGHFPI-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@](C)(N)C1CCCCC1	709213588	NDNDSDMSOQFVTE-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](COc1cccc2sccc12)C(C)(C)C	711124270	QQPUHWKAFFPXEV-NSHDSACASA-N	248.391	4.962	0	10	BJAE	
CC[C@H](CC(=O)C(C)(CC)CC)C(C)(C)C	711143763	FVRMNSZFDBKOFY-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
CC[C@H](C[C@H](N)[C@@H]1CCCC[C@H]1C)C(C)(C)C	711193715	SZDJUHACFGYTHP-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)C[C@H](CO)C1CCCCCC1	713269294	XZVABKNOSARFHX-OAHLLOKOSA-N	240.431	4.638	0	10	BJAE	
C=C/C=C/CCC(=O)[C@@H](CCC)CC(C)C	713685361	PCWQGAKQFFNEDO-NPQIQWPPSA-N	222.372	4.540	0	10	BJAE	
C=C/C=C\CCC[C@H]1CCCC(F)(F)C1	713747245	WLNKBQNKKRTLCW-MVZIDQBPSA-N	214.299	4.724	0	10	BJAE	
CCNC/C(=C/[C@@]1(C)CC1(C)C)C1CCCCC1	717127851	MMECTFOXGCMWSM-HKBKRHGFSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC(C)=C(C)C	718706404	BARXKVLWXBXZOH-AWEZNQCLSA-N	224.388	4.908	0	10	BJAE	
C[C@H](C[C@@]1(CO)CCC=CCCC1)C(C)(C)C	718968347	GSPHEMOPPKGLHW-GDBMZVCRSA-N	238.415	4.558	0	10	BJAE	
CC(C)(C)C[C@]1(CNC2CC2)CCC=CCCC1	719056675	MPQREDQVLZBNDP-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CCC(C)=C(C)C)C1	719176521	ZKTLWAIMVVXUHM-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCc1cccc(CC)c1NCC1CC(C)(C)C1	723536542	YJMGVDPKCNAYGJ-UHFFFAOYSA-N	245.410	4.660	0	10	BJAE	
CC(C)c1cc2ccccc2cc1Cl	725245802	HRUHPGDCBXERCH-UHFFFAOYSA-N	204.700	4.617	0	10	BJAE	
COc1cccc(CC2CCCCC2)c1C(C)C	725386082	AEBNPCLUXSITIE-UHFFFAOYSA-N	246.394	4.941	0	10	BJAE	
CCc1cccc(NC[C@@H]2C(C)=CCC[C@H]2C)c1	1199505964	POBKKKLHHVEQNM-RHSMWYFYSA-N	243.394	4.653	0	10	BJAE	
Cc1ccc(N(C)CC[C@@H]2CCC[C@@H](C)C2)cc1	1473140921	XMIUVOXDBSNWFK-CVEARBPZSA-N	245.410	4.648	0	10	BJAE	
CCC[C@H](NC[C@H]1CCCC[C@H]1C)C(C)(C)C	1559844337	HRKBDQJLDXUMHD-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCN(C[C@@H](C)CC(C)(C)C)c1cccc(C)c1	1642061810	XTMFGMLAJDFHIB-HNNXBMFYSA-N	247.426	4.894	0	10	BJAE	
C=C/C=C/CCN(CCC)c1ccc(CC)cc1	1643127907	YBOCEYYTHPCZDK-BQYQJAHWSA-N	243.394	4.598	0	10	BJAE	
c1cnc2c(c1)CCC[C@H]2SC1CCCCC1	1656086309	OIDUDPBLTPMCIM-CQSZACIVSA-N	247.407	4.525	0	10	BJAE	
CCC[C@H](C)[C@H](CCC(CC)CC)NCC	1900701744	GOWPOMOKOZLFGY-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CCC(C)(C)CCNC(C)C	1900713873	RZCOFBFEFPWDBA-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCCSc1ccccc1NCC1[C@@H](C)[C@@H]1C	1908019865	RCTMPYLLYKPIJK-RYUDHWBXSA-N	249.423	4.503	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@@H]1CCCC[C@H]1CC	1911933183	BTCWVLYPSUBQQE-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)C=C1CCC[C@H]1[C@H]1CCCCN1	1912093981	NSMRFZKRXKIUKB-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC=CCCN[C@@H](C)c1ccc(CCCC)cc1	1912111108	RQZCDXMJEGAYNG-HNNXBMFYSA-N	245.410	4.646	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H](C)C2CCCCC2)C(=O)C1	1916065566	CWQKJBPDGGCKJW-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CC(C)NC[C@@]1(CC2(C)CCCC2)C=CCCC1	1916602108	HZXFTVYODPVETN-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1CCCC1)NC[C@H]1CCCC12CCC2	1921636564	PBZYRQWDWTXBEB-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H](C)C1CCCCC1	1924081041	KTCQGSDKECZFQI-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C[C@H]1C=CCCCC1	1925799995	XAWYLUIZXSPLKB-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCCC1)[C@H](C)CC	1925917635	ZQIVEHYFTKJLQF-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C[C@@H]1C=CCCCC1	1925928812	YUDAZQVDKUZXMX-NVXWUHKLSA-N	247.426	4.601	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCCC1)C1CC(C)(C)C1	1925936514	UUYPOMIUWFXNQN-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(O)C(C(C)C)C(C)C	1940243099	JSNGDNVXBXUJEE-HOCLYGCPSA-N	242.447	4.738	0	10	BJAE	
CC1(C)CCC(O)(CC2(C)CCCCC2)CC1	1940405511	CJLUUWYTKIPGNL-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@@H](CC1(C)CCCCC1)NC	1940417550	WUQNGULBBVZUIP-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](O)CC1CCCCC1	1940876062	ZLECITIJTJSTLM-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@](C)(F)c1ccc(N)cc1)C(C)(C)C	1940973284	JUXAJLQWANKHNM-IAQYHMDHSA-N	237.362	4.526	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@@H](CC)C(C)C	1941272513	LIXYYFJHXZKWAA-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CCNc1ccnc2ccsc12	1941494270	NBMOVTSDKRMFTP-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
C[C@@](N)(CCCCCC1CC1)C1CCCCC1	1941581166	HYCVAYRQGLMTJV-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCNCC1(CCCCCC2CC2)CCC1	1941594943	GSCHGSGDQCTSPR-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C(C)(C)CC	1941827209	WISAEQCBVOSRQK-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@@H](CNC(C)(C)C)C1CCC1	1942093931	XZMLUZGHSQYSFF-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@H](C)CCC(C)C)[C@H](CC)C(C)C	1942655068	GBJRVYWLFOSEPK-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@H](C)C1(CNC(C)(C)C)CCC1	1942656217	LVKCDMYYCMUHPW-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC([C@H](O)CCCC(C)(C)C)C[C@H](C)C1	1943016406	JIJWNUDPJJJVGK-UMVBOHGHSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@H](NC)C(C)(C)C1CCCCC1	1944661731	VSQHIFRWQMMDMY-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)CCC1CCC1	1944667062	YRRZVUIPXZSFQP-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@H]1CCC[C@H]1C	1944841909	FXRKBZAVIXUODI-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](O)C12CCC(CC1)C2(C)C	1945635556	ZZSXUPAKQCYWLN-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1cccc2sccc12	1945961788	QPAPTPPNXHCVHT-UHFFFAOYSA-N	246.375	4.766	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H]1CCC[C@H]1CCC	1947467902	MLUDMKYXXVOQBT-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(F)(F)CC)C[C@@H](C)CC	1947893026	UYDUDMJFYGMAAA-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCC[C@@H](C(C)C)C1	1949046896	JRVIAURVMORYPC-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](O)CC2CCCC2)C1	1949867881	CVLZMGVFKXYQAX-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H](C)C1CCCCCC1	1950101192	VEDAFELXFIMWTF-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](O)CCCC2CC2)CC1	1950914367	PETJXYUCACHUGZ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC(=O)c1c(Cl)cccc1Cl	1961400481	ADQOXOAYLPCLHT-UHFFFAOYSA-N	243.133	4.532	0	10	BJAE	
C[C@@H]1CCC[C@H]1Oc1cc(Cl)ccc1Cl	1962569443	JZXGEDFYLFZCFA-LDYMZIIASA-N	245.149	4.561	0	10	BJAE	
CC(C)[C@H]1CC[C@H](NC2CCC3(CC2)CC3)CC1	1965905994	GMFICDRGWYIPAC-SHTZXODSSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)N(C)Cc1cc2ccccc2s1	1968853836	IULFCXRFBBDLQN-LBPRGKRZSA-N	247.407	4.522	0	10	BJAE	
CCC1(C)CCN([C@H]2CCC3(CCCC3)C2)CC1	1969173698	VSRYVVYOIWTXIF-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCC[C@@H]1C(C)C	1971010315	LWXUGIYHMVWLOB-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC1C[C@H]2CCCCC[C@@H]2C1	1971304991	LVGVWMLZDPKDFV-ANQUJSFKSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CC(NC2CC(CC)(CC)C2)C1	1972936291	HTIOUYAMZSCEIK-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@](O)(CC)[C@H]1CCCC(C)(C)C1	1978329686	PZJIKUMFMOOHQM-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CN[C@@H](CCCCC(C)(C)C)c1cccs1	1980687278	LKPCMJASJVSVKB-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H](CC)C(C)C	1988768710	VJGLFMZFXSTONO-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H](C)CC(C)C	1990046845	ZPJVRVBUSCPGAZ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCCc1ccc2occ(CCC)c2c1	1995444021	GPCMMUOQHKRANC-UHFFFAOYSA-N	216.324	4.728	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1CCC=CCC1	2000482338	BOTOEGVJVFBDPO-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
CCCC[C@](CC)(CC=C(C)C)CNCCC	2000498666	BMEGHYGBKUGHJY-MRXNPFEDSA-N	239.447	4.929	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)[C@H](C)[C@@H](C)CC	2000513346	IPSHBYOXFWLKTR-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCCCN(CC(C)(C)C(C)(F)F)[C@H](C)CC	2000899878	HBSQLNHSBOJPRB-GFCCVEGCSA-N	249.389	4.568	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2001494760	NDHSCJIJACROGF-RBSFLKMASA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(N(C)CC(C)(C)CC)CC1	2002948875	IDSSOOUUGKUKDU-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(O)CCCC(C)(C)C)C1	2002999340	SIWVCCCAZRVQDK-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@](C)(O)CC1CCC2(CC1)CC2	2003193460	YMKMAPHOUGAETL-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC(=O)C[C@H](CC)C1	2006673546	LYROIEFRJIUELN-RRFJBIMHSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC2CC(CC)C2)C1	2007769371	NWJMUZCXOWVIMO-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1ccccc1C(C)C	2009570933	FNWSZICBFCAQNG-DWTRPJMMSA-N	231.383	4.556	0	10	BJAE	
CCCCC1CC(NC[C@H](C)CC(C)(C)C)C1	2009782816	HYPDUCKMMRMAHP-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@@H](CC)CC(C)C)CC1	2010749028	PUUOUBRCVTVELW-YCPHGPKFSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1CC(=C2CCC2)C1	2011071073	CWHHTNASFYLQNM-GFCCVEGCSA-N	234.383	4.662	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC12CCC(CC1)CC2	2012802189	UWNLOJOQYTUPIZ-HLIUYOAVSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)NCCCCC12CCC(CC1)CC2	2012836929	RVXYIVYVHOYQSZ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC1CCC(C)CC1	2013274891	VDSWORNDCJESFA-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@H]1CCC1(C)C	2014862199	OBBXPSRQQAIUFQ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC(=O)CC[C@H]1CC1(C)C)C(C)C	2015379179	NNNUJTDOHZXWTK-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(CC(=O)[C@@]1(C)C=CCCC1)C(C)C	2015385619	GJDSXUSQOMDSHY-INIZCTEOSA-N	236.399	4.620	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)CC(C(C)C)C(C)C	2015413302	UISSVERZWKMGKR-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)CC1CCC(C)(C)CC1	2016830452	HHLWUSQYMIFGFS-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)CCC2(C)CC2)CC1	2017719816	ODJNYHGGPMLARS-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CC[C@@H]2CC)CC1	2017722492	QCJXKLCZQWPFLJ-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)C(C)(C)C(F)F	2017797185	RARMGNMJMWHJNK-RYUDHWBXSA-N	249.389	4.615	0	10	BJAE	
CCC[C@](O)(C[C@@]12CCCC[C@H]1C2)C(C)(C)C	2018571821	DILWHPIANDJEFH-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H]2C[C@@H](C(C)C)CCC2=O)CC1	2018926047	XPLMYABFKUDPBM-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H]1CC(C)(C)C[C@H]1CCCC(C)C	2023615364	ZNUUGYMSCAREPU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)C2CCCCC2)C1	2024093304	AIDBCOITVCDAFH-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NCC)C(C)=C(C)C	2026058189	CJHDVYRKKOEJBM-ZBFHGGJFSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@@H]1CCC[C@@H](C)C1	2026167768	UOVWYHZGSZGEJY-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCCC1CCC1	2026168254	YUAAQVYCUZBARO-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCCC1(C)CC1	2026169547	JDTRWGOPKMWEJN-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CC(C)=C(C)CCN1CCC[C@@H]1c1ccccc1	2027024023	XILWXLZQPKDIDH-QGZVFWFLSA-N	243.394	4.570	0	10	BJAE	
CC1(C[C@@H]2CC[C@@H]3CCCC[C@H]3N2)CCCCC1	2027310131	XVDHUHBQGOBVHJ-HRCADAONSA-N	249.442	4.658	0	10	BJAE	
CC1(C[C@@](C)(F)c2ccc(N)cc2)CCCCC1	2027939871	LHLFYASEZVJDCF-MRXNPFEDSA-N	249.373	4.814	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)c1ccccc1C1CC1	2028560749	SZVHYASNAOKYNW-MLGOLLRUSA-N	246.394	4.670	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1ccc(C2CC2)cc1	2029835219	DOMLQEBZOQGNRW-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CC(C)NC[C@@]1([C@@H]2C=CCCC2)CCCC1(C)C	2032107323	WKZHSSAVHWDTKM-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CCC[C@@H]2C)c(C)c1	2032479080	BMRRUOBDHNIKHH-WFASDCNBSA-N	244.378	4.621	0	10	BJAE	
CC[C@@H]1CCCCC1=C1CCNC[C@@H]1CC(C)C	2032490076	JDJHBIMCIOPLGK-CABCVRRESA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@H]2CCC[C@@H]2C)cc1	2032514734	OKZKTMIIJRLTEM-IAOVAPTHSA-N	245.410	4.636	0	10	BJAE	
C1=CCCC(NC2CCCCCCCCC2)CC1	2035886307	LGLCJACRXMZIGR-UHFFFAOYSA-N	249.442	4.968	0	10	BJAE	
CC(C)c1ccc(C(=O)CC2CC3(CC3)C2)cc1	2036759798	BREDHXHKNCHUNQ-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
C[C@H](c1ccc(N)cc1)[C@H]1CCC2(CCCC2)C1	2037695103	QEMMLIFMQKTBHC-HIFRSBDPSA-N	243.394	4.733	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)CC12CCC(CC1)C2	2039415504	LXRVXNQTMMOWAY-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC1CC2(CCC2)C1)C1CCC(C)(C)CC1	2040639342	UAUUEDUMNLAEHZ-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1[C@H](NC)C(C)(C)CCC	2040718111	ZHLQRSKNSCWNCW-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@@H]1CCC=CCCC1	2045316994	IMWYEMPJVOABAY-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)C23CCC(CC2)C3)C1	2045392456	UZWFSQOHPJNFEL-OGOZQZCJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)[C@@H]2CC23CCCCC3)C1	2045541444	XYDMILBTIUEZAK-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CCN(CC1(C)CCCCC1)c1cccc(F)c1	2046575915	WDYPMHHLWJPXQS-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
O[C@H](C[C@@H]1CCC12CCC2)C1=CCCCCCC1	2047934461	BOBJPSWOJHGLKG-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C2(N)CCCCCCCC2)c1C	2049679265	UJIPLSQDYCUROU-UHFFFAOYSA-N	245.410	4.592	0	10	BJAE	
CC1(C)CC(C)([C@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049867871	XYSSAVTYLOOYNM-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)[C@]1(C)C=CCCC1	2050005368	FTEBFQJFSCBNND-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(NC2C3CCCC2CCC3)CC1	2050041483	ITNSBQFTISQGIB-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](c1ccoc1)C1(C)CCCCCCC1	2052474519	AUVFCIIGHJGVEP-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
C[C@H]1CCC[C@H]1C1(CNC2CC2)CCCCCC1	2055286225	OVFYWNVQCRIUGF-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](N[C@@H]1C=CCCC1(C)C)C1CC1	2055533991	YFTFHPDJNMAIIL-HZPDHXFCSA-N	249.442	4.536	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H]1CCC[C@H]1C(C)C	2056446732	HZPVSQLTALMWAG-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1CNCCC1=CCCCC1	2056490522	LHSJTGVZGJURMV-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C)c(NCC2CC(C3CCC3)C2)c1	2056732212	VSOGQGVLOBZMCA-UHFFFAOYSA-N	243.394	4.542	0	10	BJAE	
CN[C@H](CC=C1CCCCC1)c1ccc(C)cc1	2056885769	DBLOVLFNJRGXLJ-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CC12CCCCC2	2059254071	WWEJCQQPEVLMBF-TVKHYIBRSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H]1C[C@@H]1C1CC1)NCCC	2059268098	VMQOFVFHOQCYTR-WVVOIENYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1=CCC(C)(C)CC1)C1(C)CCC1	2061092487	QIVWBMPISGOPQR-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C(C2(N)CCC(C(C)C)CC2)CC1	2061111955	AQQTWVHWOAHVPJ-HPUBIQBYSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@](C)(N)C2(C)CCC2)CC1	2061119171	MVEAWSMTAPEPIU-SUMWQHHRSA-N	249.442	4.667	0	10	BJAE	
CCC1([C@@H](NC)C2=CC[C@H](C(C)C)CC2)CCC1	2061146114	DWAGOBFHOGPKNY-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@](N)(CC[C@]12CCC[C@@H]1C2)C1CC1	2061617453	PILSSXKDUVDTLZ-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
c1cc2c(cc1CC1CC(=C3CCC3)C1)CCC2	2061725607	HGDQJYPHZLFCCF-UHFFFAOYSA-N	238.374	4.608	0	10	BJAE	
CCCN[C@H](CC1CC(=C2CC2)C1)[C@H](C)C(C)C	2061729789	AHGSOCLNNLBKMG-CXAGYDPISA-N	249.442	4.537	0	10	BJAE	
CN(CCCC1CCC1)[C@@H]1CCCCCC12CC2	2062213147	AXSUFSGGEVXBEB-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C23CCCC2CCC3)C1	2063853837	YGPBCDFMMKMSDD-FSOQPWQOSA-N	248.410	4.742	0	10	BJAE	
CC1(CC(=O)C2CC3(C2)CC3(C)C)CCCCC1	2064133814	ZCLPUJNLWKBNSR-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](N[C@H]2CCCCC23CCC3)C1	2066626505	BUCKEBFKXAKNEB-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C[C@H](C)[C@@H](O)c1ccccc1)C(C)C	2068817599	MNYHQFFYOQDDBN-WMLDXEAASA-N	248.410	4.674	0	10	BJAE	
CCc1ccc(N(C)CC(C(C)C)C(C)C)cc1	2068926033	UGZLFBLMXPPEIJ-UHFFFAOYSA-N	247.426	4.613	0	10	BJAE	
CCCC1(CC(=O)C2CC(C3CCC3)C2)CCC1	2069281947	DSVLPWXMQUMBTE-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H](N)C[C@@H]2C[C@H]3CC[C@H]2C3)CCC1	2069339426	IYOVZVRNMLTJGZ-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](NCC1(CC2CCC2)CC1)C1CCC1	2069581872	VHZHAQMEXVRRPC-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CNCC1(C[C@@]23CCC[C@H]2C3)CCCCCCC1	2070959050	NGGRGFBMQICEOL-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CCCCC23CC3)CCC1	2071941719	WWJGJSRVVXJKED-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1CC2(C1)CC21CC1	2072235906	DSFIVEMBDFHASI-ISXOHVOVSA-N	249.442	4.502	0	10	BJAE	
CCCC1(CC(=O)[C@@]23CCCC[C@H]2CCC3)CC1	2074591829	VYPOQKRSLRSVMY-WMLDXEAASA-N	248.410	4.886	0	10	BJAE	
CCCC1(C[C@H](O)c2cccc(C3CC3)c2)CC1	2074618258	DLIUKXDVAKQSLQ-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@@H](C)C1CC(C)(C)C1	2074794268	HNXJRVFDQZTWJQ-KBPBESRZSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2C[C@@H](C)c3ccccc32)C1	2074893225	SHPNZBUSQPXQIM-RBSFLKMASA-N	243.394	4.579	0	10	BJAE	
CCC[C@@](N)(C[C@H]1C[C@H]2C=C[C@H]1CC2)C(C)(C)C	2075813053	BJKFUAHFAOEQIT-LJIGWXMPSA-N	249.442	4.523	0	10	BJAE	
CC1(C)C[C@@H]1CCCNc1ccccc1C1CC1	2077263226	NYUXUUGZPQOBQU-AWEZNQCLSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccccc2C2CCC2)C1	2077263754	CVFABFOBXMKNGH-HIFRSBDPSA-N	243.394	4.945	0	10	BJAE	
CCC[C@@H]1C[C@H]1COc1cccc2ccccc12	2079811374	PFVFAMPQPXNADS-CABCVRRESA-N	240.346	4.655	0	10	BJAE	
CC(=C[C@H]1CCCC(C)(C)C1)[C@H]1CC[C@@H](N)CC1	2082986662	NEJKLIFLMWTZAZ-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@@H](N)CCCCCCC1CC1	2213574318	RWPWAEDJSSJRFY-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
FC1(F)CC[C@@H](CCC=Cc2ccccc2)C1	2213824203	CMFRPKGWAZHUOX-CQSZACIVSA-N	236.305	4.915	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CCCCC1CC1	2214566087	SLDYULOSLYRETL-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
CC1=CC[C@H](CNCCCCCC(C)C)CC1	2215815762	HICKJVASLOSSOD-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](O)(C2CCCCC2)C1	2216254089	XBZKEBZGHZNELW-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CN(CC(C)(C)C)[C@H]1CCC[C@@H](C(C)(C)C)C1	2216254300	YRUJBWTUGHAIOV-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CC1(C)C[C@H]1[C@H](O)CCCCCCCC1CC1	2216890454	GHKZUUZVBFOOOU-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC=C[C@@H]1NCCCCCCC1CC1	2218728229	VDNIOAUKFVDNJN-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCNCC1(C2CC2)CC2(CCCCCC2)C1	2219244005	NVKQSZBCDWJVSG-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)c1cocc1C	2220026090	VQCWLQRHQUADMW-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
C[C@@H](C(=O)CC1(C)CC(C)(C)C1)c1ccccc1	2221076996	UYAYBQXNKFJIPZ-CYBMUJFWSA-N	244.378	4.576	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](O)C2=CCCCCCC2)CC1	2221626999	APXYYHMNZREBPF-DLBZAZTESA-N	248.410	4.764	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@H]1C)[C@@]1(C)CC=C(C)CC1	2221629137	YPEUJJQYAFTLQC-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C2[C@H]3CCCCC[C@H]23)CC1	2221640658	NUCHRLTXLANFRJ-ZQIUZPCESA-N	246.394	4.518	0	10	BJAE	
CC1=CC[C@H](CNC2CCC(C(C)C)CC2)CC1	2221666803	JQULLBOFOCCQAW-GTPINHCMSA-N	249.442	4.537	0	10	BJAE	
CCCCc1nccn1[C@@H]1CCC2(CCCC2)C1	2221808937	VFSQPOJQOJOCGX-CQSZACIVSA-N	246.398	4.511	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC2CCC2)C=CCCC1	2223551856	SVPIINZDPAZEMT-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)CCCC2(C)CC2)cc1	2223968654	MAASVIOWFVRQQP-CQSZACIVSA-N	244.378	4.638	0	10	BJAE	
CCC(CC)C(=O)CC[C@@H]1CCC[C@@H](C)C1	2242770249	NCTSRBUXNVCJBR-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)CNc1cccc(SC)c1	2244799470	BQYYUYRZAOJALG-LBPRGKRZSA-N	237.412	4.647	0	10	BJAE	
CC[C@H](CC[C@H](C)CCCC(C)C)[C@H](C)O	2244844867	HVMXPXPGYDBBGC-QLFBSQMISA-N	228.420	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC(C)(C)CO	2244846258	AKQBFIFHUJDEAR-CQSZACIVSA-N	228.420	4.638	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@H](N)C(C)C	2244870257	YDKIZWHJYBRVNQ-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
CCC(C)(CC)CNCC[C@@H]1CCC[C@H](C)C1	2246683975	JEULPPFVTWHVDJ-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CC[C@@H]1CCC[C@@H](C)C1	2246691943	JTJAEIZAHACEOV-FXUDXRNXSA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@H]1CCC12CCC2	2247308818	SQVNRSMCECAIEY-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)CCC(F)F	2250516346	HWJAEYRQURLXQO-OLZOCXBDSA-N	249.389	4.602	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@]12CCCC[C@@H]1CC2	2251213669	ZNRDFADEDFXMBO-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CC(C)C1)CC(C)(C)C	2251756123	XSNQVTMIMLMEPF-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)[C@H](NCC[C@@H]2CCC[C@H](C)C2)CCC1	2253964315	UPGSBIVWWICCTL-RRQGHBQHSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1CC2(CCCC2)C1)C1CCCC1	2254112353	KCXQUKXQMJAZEJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(N)CCC(C2CC2)CC1	2254591142	LNEVWCVOCSYLJQ-AKBUMOGYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)CC2=CCCCC2)C(=O)C1	2255135401	FDVSFODBVTUQJS-UKRRQHHQSA-N	248.410	4.908	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CC[C@H](C)[C@H](C)C1	2256115696	QEAOARLEYWFSSG-OUCADQQQSA-N	249.373	4.625	0	10	BJAE	
CC(C)(NC[C@]12CCC[C@H]1CC2)C1CCCCC1	2260577918	IQPBDOFGSGPBNW-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@]1(C[C@]23CCC[C@@H]2CC3)CCCCCN1	2260658327	OMDIOGKLIIEZNA-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CCC(=O)C[C@H]2CCCC3(CC3)C2)C1	2261508044	ZJNKQACNGFBILN-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)CC[C@H](CNC(C)(C)C)C(C)C	2300676265	MPBAGPKJTGDELF-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](CCC(CC)CC)C1	2300689094	UNTLHKNMGWDLKB-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCC[C@@H](C2CC2)C1	2300702881	ZYSZXJQYXIDGCJ-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@]1(CC=C(C)CC)CCC1(C)C	2300865957	UJBPOOYHFYJIPM-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC(=CC[C@H]1C[C@H](C)CCN1)CCCC(C)C	2300876112	CKTQXACIVKRJAI-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@H](NCCC)c1csc(C2CC2)c1	2300879438	GGGSTNDEPDCISY-AWEZNQCLSA-N	249.423	4.632	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CC[C@@H](CC)C1	2300922145	WOIMIGCOYQGCPP-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@H]1CCCCCCC[C@@H]1NCCC	2300924428	SVHHJFDCNBVHQC-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC[C@]1([C@H](C)[C@@H](C)C(C)C)CCCCCN1	2301909505	DFYPBIMIGGELOX-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC[C@]1(C)CCCCN1	2302542209	IUXCXMUUWXMYFX-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC(C)(C)C1)CC(C)C	2302899998	SICBDYVVGIXIHM-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1CC[C@H]1C(C)(C)C	2303474927	IOCZTVQGBPLPAB-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](CC[C@@H]2CCC(C)(C)C2)C1	2304422304	HFISFNFBYFVQPL-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CCC2(CN)CCCCC2)C1	2304434289	CIYQJSUADFQURF-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1CC[C@H](CC)CC1	2307894830	ODEVKTQXKAWQBH-RBSFLKMASA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1c(C)cccc1C	2307900065	FCLPUKUUZKSNMD-CABCVRRESA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1CCC[C@H]1C(C)C	2307900485	VIKOHMMVWUCVHF-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(C[C@@H]2C[C@H]2C2CC2)CC1	2311467321	BNQUHMMVAACBTJ-QSPRXWTASA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CC12CCC(CC1)C2	2316531484	FWAZMTKQWDIINW-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CC(=CC=C1C[C@@H]2CC[C@H](C1)N2)CCCC(C)C	2316541783	JSPNSTNXFVWEEZ-CALCHBBNSA-N	247.426	4.600	0	10	BJAE	
N[C@H](CC[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2317012893	KSGXMWJNUNAPTL-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C(=O)CC[C@@H]2CC[C@H]2C2CC2)CC1	2319731276	SLJWIVRYHYVVNT-LVBITLCTSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H]2C=CCCCCC2)CC1	2320232132	QKBZSCYROHKPMY-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@H]2C[C@H]2C(C)C)c1	2320586476	HWXCARKQELNCEO-IXDOHACOSA-N	246.394	4.526	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)C2(C(C)C)CC2)c1	2327789445	KDDKBIHCHDLATP-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCCCCCn1c(C)nc2cc(C)c(C)cc21	9250282	PXWLDYWWGCMPMQ-UHFFFAOYSA-N	244.382	4.542	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(C)c(F)c1	21809774	SVVMFLVTGHARSE-AAEUAGOBSA-N	237.362	4.761	0	10	BJAE	
CCN[C@@H](c1c(C)c(C)cc(C)c1C)[C@@H](C)CC	35547134	KXVXDQDJKSGJAZ-APPDUMDISA-N	247.426	4.617	0	10	BJAE	
CCCC[C@@H](NCCC)c1c(C)cc(C)cc1C	35582080	ZKWXHALHFIALMM-MRXNPFEDSA-N	247.426	4.843	0	10	BJAE	
C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)C1(C)CC1	36994649	XPEHWAKAQLBKDT-ZFWWWQNUSA-N	245.410	4.552	0	10	BJAE	
CC(C)C[C@@H](C)N[C@H](C)c1ccc(C(C)C)cc1	37118037	CPQPRGNHCKDUAX-HUUCEWRRSA-N	247.426	4.895	0	10	BJAE	
CCCCCN(CCCCC)Cc1ccccc1	39240265	GIEZONFVCOUCNY-UHFFFAOYSA-N	247.426	4.869	0	10	BJAE	
CCCN[C@H](CCC(C)C)c1sccc1C	42730292	HTSXMFRNFLMUFW-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)c1ccc(C)cc1C	69377140	ZKKAHTASYXDBSL-HOTGVXAUSA-N	247.426	4.923	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)CC(C)(C)C	82674678	BMMJSJKNUQHJTB-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CCCCCC2)CC1	86894435	BKGLKLULMKXLGP-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
Cc1cc(C)cc(NC[C@H]2CCC[C@@H](C)C2)c1	89604367	GRGWGTNQDJJWBB-DOMZBBRYSA-N	231.383	4.542	0	10	BJAE	
C=C=C(c1cccc(C(F)(F)F)c1)C(C)C	106488836	BONDCZSSMIBOFK-UHFFFAOYSA-N	226.241	4.530	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCCc2ccccc21	127661730	QXOSFKCFDFLFCZ-INIZCTEOSA-N	244.378	4.502	0	10	BJAE	
CCCN[C@H](CCC)CCC1CCCCCC1	149436116	MBSNORAAAWMMON-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@H](C)c1cccc(C)c1	160139963	YLLFMNIPIBGBGI-HLLBOEOZSA-N	245.410	4.614	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C1(CC(C)C)CCCC1	162096996	HFVINNRFZLZTJJ-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(CNCC)C(C)C	164335858	RKHQUIQGUAKLJV-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C1=CCCCCC1	203417949	DPGFDVHAWNFKPC-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CC2CCCCC2)C1	203541580	BMHNXRPULPSERP-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](C)N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	216562240	QMADIGPCDWCJNR-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1C[C@@H](C)CC[C@@H]1C	221687472	CPLHRPYPBCFUOY-VGWMRTNUSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1(C)CCCCC1	232989764	NMSVPEVDPMBEAF-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)CCC	251322026	LYHMOKZOPARMJG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](N[C@H](C)[C@H](C)CC)c1ccccc1	251374721	QYJCBYWAGPAUQX-INMHGKMJSA-N	247.426	4.942	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@H]2C[C@H]2C)c(C(C)C)c1	251735821	COWIBGGUJLBBGL-DQYPLSBCSA-N	245.410	4.589	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)c1cscc1C	300778667	AWVYYWWPYVXWGN-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)C1(C)CCCCC1	302379688	PJQVJSPNFKLLLW-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CSc1c(C)cc(Cl)c2ccsc12	306742360	VVIBJTMFKUUZKR-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
C[C@@H]1CC[C@@H]1Nc1ccccc1-c1cccs1	310385270	QIXCSDKCQRLPJW-YPMHNXCESA-N	243.375	4.626	0	10	BJAE	
C[C@@H]([C@@H](O)c1ccc(C2CCC2)cc1)C(C)(C)C	310639520	ARWTZTTYNXRBTN-BLLLJJGKSA-N	246.394	4.670	0	10	BJAE	
C[C@H](N[C@@H]1C=CCCCCC1)C1CCCCCC1	310675810	NIYRJAGWDIOLST-DOTOQJQBSA-N	249.442	4.824	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@@H](C)C2CCCCC2)cc1	310901364	WIDKHBLYQVXHRB-PBHICJAKSA-N	246.394	4.635	0	10	BJAE	
CC(C)C[C@@H](C)N[C@@H]1CCCC12CCCCC2	313031235	JBPGYPQHPKAROI-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)CCCNCC1CCCCCCC1	313259109	YKMLBKOXVAGOJQ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](NC1CCCCCC1)C1CCCC1	313456723	BQUJURBVYFHWPW-MRXNPFEDSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CNC(C)(C)C)CC=CCC1	317118022	GYJMNQZIYMXKBO-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](CNCC(C)C)C(C)(C)C	319410295	NKFPEXGVLBHTML-SOUVJXGZSA-N	241.463	4.577	0	10	BJAE	
CC(C)c1ccccc1[C@]1(O)CCC[C@@H](C)CC1	381415616	ZNUSFPCCYAKCTE-PBHICJAKSA-N	246.394	4.598	0	10	BJAE	
CCCCC[C@@H](NCC)c1csc(Cl)c1	382185280	PRQJXOBZONWGDN-LLVKDONJSA-N	245.819	4.632	0	10	BJAE	
Cc1ccc(F)c(NCCCCCC(C)C)c1	383192357	XBJFJVWHUUQGEC-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CC(C)CCCCC/C=C/CCNCC(C)C	383396328	QJOGCNOBFJUHIN-VQHVLOKHSA-N	239.447	4.785	0	10	BJAE	
CCOc1cc(C)ccc1N[C@H](C)CC(C)(C)C	384807043	UPMCLYYJKQRSKB-CYBMUJFWSA-N	249.398	4.630	0	10	BJAE	
CCCc1ccc([C@H](O)C(C)(C)C(C)(C)C)cc1	386197887	KWHXGVUIRQRUCX-HNNXBMFYSA-N	248.410	4.745	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1[C@@H](O)c1ccccc1C(C)C	387732782	STECQUPWKPEGCS-COXVUDFISA-N	246.394	4.526	0	10	BJAE	
Cc1ccc(F)c(NCCC2CCCCCC2)c1	394611704	IAXGQSAZKANFGF-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCc1c(C(F)(F)F)cc(C)c2sccc12	396311985	XSADMEQGASGDNJ-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
C[C@H](Cn1ccc2cc(Cl)ccc21)C1CCC1	398609561	FLBFAUZYFAJGFI-LLVKDONJSA-N	247.769	4.731	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](CCC2CC2)NC)cc1	400907165	QEPGOSBRDAVPOT-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CC1(CNc2ccc(-c3ccccc3)cc2)CC1	687301356	AFYHTCSDLVYMSV-UHFFFAOYSA-N	237.346	4.566	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@H]1CCC[C@H]2C[C@H]21	690158761	OSEOBILGQYYJJQ-UAGQMJEPSA-N	241.378	4.555	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C[C@H](C)C(C)(C)C	696568723	TYWMOMGDUCAZOM-STQMWFEESA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@@H](C)CC	696642954	BVUCRMRJSFYIIH-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCC[C@@H](C)CC1	696809754	YTGHLQYLQZAZCI-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H](C)c1ccccc1	697208470	FNYSFRZDVAVTBN-CYBMUJFWSA-N	232.367	4.576	0	10	BJAE	
CC(C)=CCCC(=O)c1csc2ccccc12	697838384	YXBMCJMTOFDNBO-UHFFFAOYSA-N	244.359	4.830	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@H](N)C[C@@H]2CC=CCC2)C1(C)C	698988945	OYJREONWIUATPB-KCYZZUKISA-N	249.442	4.523	0	10	BJAE	
CCCC[C@@H](NCC)[C@@]1(C)CC[C@@H](C)C1(C)C	699118603	YZSDCRINWOFBHQ-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cccc2ccsc12	701224861	YLYYEZHOTSXPDL-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CCC(C)(CC)C(=O)c1cccc(Cl)c1C	701390973	XRUKCMXIRFFOPT-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCC[C@@H](CCc1cccc(C(C)C)c1)NCC	701512983	RGLNZWXVXHFEAY-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@@H](C)CC(C)(C)C	704732489	DWZFKSJIBLGFDY-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H]1CCCC[C@H]1C)CC(C)(C)C	704843976	JCVRNPBBXJEUIT-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@](C)(N)CC1CCC(C)(C)CC1	704955597	HIASYXXIYMNCFS-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
NC1(CCC2CCCC2)CCC2(CCCC2)CC1	707767211	JJJABPHYQXUMQV-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@@H](C)C(C)(C)C	710746062	NXWBYNJXGFGNIA-CQSZACIVSA-N	242.447	4.882	0	10	BJAE	
CC[C@H](C[C@H](N)c1ccc(C)cc1C)C(C)(C)C	711048587	CZGWTHVCXHLZCN-ZBFHGGJFSA-N	247.426	4.766	0	10	BJAE	
CC[C@@H](C[C@@H](O)c1ccsc1C)C(C)(C)C	711182517	XUXGNANQLRIVKI-WCQYABFASA-N	240.412	4.552	0	10	BJAE	
CCC(C)(C)C[C@H]1CCCC[C@H]1CNC(C)C	713182528	GTSKRYNOLXVUEM-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC(=O)c1cc2ccccc2s1	713302050	COPCCXBCACXPCR-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CC[C@H](C)[C@@H](C(=O)CC(C)(C)C)c1ccccc1	713305473	WCUADZZUCGWENN-XJKSGUPXSA-N	246.394	4.822	0	10	BJAE	
CCNCC1(CC(C)(C)CC)CCC(C)CC1	713335805	LPIRZLQQJUUZIU-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCCC(=O)C1CC(C2CC2)C1	714411147	KYBRRQBLPBTZGE-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)C[C@@H]1O)CC(C)(C)C	717548251	DIBLDZVQUQTVOO-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCCC(C)(F)F)CC1	718643117	GOJXTMOMJRLYBX-GXTWGEPZSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@](O)(CC)CC1CCCCC1	723084604	FUZSDYDAXPHJCV-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1c(C)csc1C	724971474	NOGHRBLVQNGYKD-GXTWGEPZSA-N	240.412	4.615	0	10	BJAE	
Cc1ccc(SCc2ccc(C)c(C)c2)s1	1189545814	AGFCXOOLOCRSOK-UHFFFAOYSA-N	248.416	4.966	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1ccccc1Cl	1201331294	MYXFQNVXXDTHRF-CHWSQXEVSA-N	249.785	4.744	0	10	BJAE	
CCC[C@H](CC)CCC[C@H](NC)C(C)(C)C	1905447171	VXPDPNSHYOPCNW-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CSc1ccccc1NC[C@@H]1C[C@H]1C(C)(C)C	1910728241	XQZYFQQOUMQUIG-NWDGAFQWSA-N	249.423	4.503	0	10	BJAE	
CCCC[C@](C)(N)C[C@@H]1C[C@H]1C1CCCCC1	1910749318	TYICBVJVNIOTFG-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C1CC2(CCCC2)C1	1912637387	IGMXJSCWKDILOZ-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)CN[C@@H]1CCC2(CCCCC2)C1	1915855311	PJTQZOPXWBELIU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC(C[C@@H]2C(=O)C[C@H]3CC[C@H]2C3)CC1	1916096988	STTIXFAHWCOWIE-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCC3(CCCC3)C2)C1	1916440778	DUJOUXVLVQVKNW-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H](C)CC(C)C	1919961699	SBGIZHHYIXTEEI-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2CCCC23CCC3)CC1	1921611971	WMIIUJQAKHFUJA-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C(=O)CCCCCC1CC1)C1CCCC1	1924136049	PTMHQSVALBBXHX-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
Fc1ccc2ccn(C[C@H]3C=CCCCC3)c2c1	1925795159	RJTLAJRCJHEFLS-ZDUSSCGKSA-N	243.325	4.527	0	10	BJAE	
NC1(C[C@H]2C=CCCCC2)CC2(CCCCC2)C1	1925942971	OQONGHYUHJJAOE-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
CCC(CC)CCNc1ccnc2ccsc12	1926173621	CCLVQKBKKMNUOQ-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H](C)C1CC1)NCCC	1940724392	SAAOCVUZSIUVHL-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C(=O)CCCCCC1CC1)C1CCC1	1941586441	KMRBQSQCMWKEHI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C1(C)CC(C)(C)C1	1941982448	SPRIQSISKFIXRG-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H](CC(C)C)[C@H](C)CCC(C)C	1942656958	NDAOXAFHDFQNCD-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CC(C)CC[C@@H](C)CCC(=O)c1ccccc1	1942660691	UPQXSWWNJTYWPZ-CQSZACIVSA-N	232.367	4.722	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C1CCCCCCC1	1944796993	KJAPXINHINFQNM-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@@H]1CCC[C@@H]1C	1944846903	STNKMBKOENKCKZ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCC[C@@H]1C(C)C	1947524267	MPCLLEMUWYFBLU-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CCC(F)(F)CC[C@@H](N)C[C@@H](C)CC(C)(C)C	1947993068	KKLDCCWMLJSSAU-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)[C@H](C)CC(C)C)c1	1948326923	NGFRYGXGGNXWDU-CHWSQXEVSA-N	237.362	4.617	0	10	BJAE	
CCC1(C[C@]2(N)C[C@@H](C)CC(C)(C)C2)CCC1	1948980763	BVEBXQXFSZUORX-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@@H]2CCCCCCCCC2=O)C1	1949498698	XTAZAUFYSTWZSW-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](N)CC1CCCC1	1949861877	KHQPQUSQDRUWGT-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](C)NC[C@H]1CCCC(C)(C)CC1	1950921743	ITLJKBXEYRTUKS-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CN(CC)[C@@H](C)CCC(C)C	1963156379	CAZASIAOTZPXNF-AWEZNQCLSA-N	227.436	4.569	0	10	BJAE	
CC[C@@H](Nc1ccc(Cl)cc1)c1occc1C	1968265902	RFLJOZRSRKCMKT-CYBMUJFWSA-N	249.741	4.805	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@H]2CC[C@@H](F)C2)cc1	1968276306	ZFSKSXILGWLDCS-GXTWGEPZSA-N	249.373	4.534	0	10	BJAE	
Cc1ccc(OC[C@@H]2CCCC(C)(C)C2)cc1C	1968307254	GWEMNGCKOLNSPW-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
CCc1ccccc1N[C@@H](C)CCCC(C)C	1968359914	ISFMFVHNJKKSAK-AWEZNQCLSA-N	233.399	4.876	0	10	BJAE	
CCCc1ccccc1NC1CC(C(C)(C)C)C1	1968527919	JHOYECDHKBTXHP-UHFFFAOYSA-N	245.410	4.876	0	10	BJAE	
COc1cccc(N[C@H](C)CCC(C)(C)C)c1C	1968826380	PLGSALXFOWLXLG-GFCCVEGCSA-N	249.398	4.630	0	10	BJAE	
CCCC1CCC([C@H](C)NC[C@@H](C)CC)CC1	1969981016	LJYDFBVMYUTCMX-FXQLRMTLSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(Nc2ccc(CCF)cc2)CC1	1970091932	BKJWCIYPHLUOPJ-UHFFFAOYSA-N	249.373	4.579	0	10	BJAE	
CCCC(C)(C)[C@H](CCC(C)(C)CC)NC	1976002437	ARCUTXJQUBINPY-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1ccc(C)cc1Cl	1976002673	DBZAFMHDLQRREH-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CCCC(C)C	1978533984	KWOWXOCULWXGNB-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC=C(C)[C@@H](NCCC)C(CC)(CC)CC	1983430370	AORGTSFTWFZXMZ-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
C=C=CCCC[C@@H]1CCC[C@@H](C(F)(F)F)C1	1985447552	LUQWGUCEPRVZQC-VXGBXAGGSA-N	232.289	4.867	0	10	BJAE	
CCC[C@@H](C)C(=O)CCC(C(C)C)C(C)C	1988298419	ZWJQDYGXKGSHDF-CYBMUJFWSA-N	226.404	4.700	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@H](C)CCC	1990813979	MMBHTNPSDARLQI-HUUCEWRRSA-N	227.436	4.713	0	10	BJAE	
CN(CCCC(C)(C)C)c1cccc(Cl)c1	1994355316	CPMJDKWTLGNLDZ-UHFFFAOYSA-N	239.790	4.603	0	10	BJAE	
C/C=C/CCCC(=O)CC[C@@H](C)CCCC	1995203914	MQLPTNTUERQALO-YVZNUBBCSA-N	224.388	4.908	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CC[C@@H](C)C2)c1	1996219694	QQEUSTMGMGWSRB-KGLIPLIRSA-N	231.383	4.658	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@@H]1C=CCC1	1996564109	MWBMYUKRJLSPHH-CYBMUJFWSA-N	247.407	4.565	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@]2(C)CC=CCC2)C1	1997607405	UOGBYJKPBKOLPI-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](C1=CCCC1)c1cc(C)sc1C	2000364083	DNSPOEBJDCRPSL-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
C[C@H]1CCC[C@H](C[C@](C)(N)C2CCCCC2)C1	2002921010	KOJAAJMHMOHXJO-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCC(C=C(CNC1CC1)C(C)C)CCC	2004724739	FBUFODGQQIUAFW-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H]1CCCCC12CC2	2005562824	FQZJSVWFFOAPSQ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCC1(O)CC(C)(C)CC(C)(C)C1	2009592861	LUXCOXHNBWYNIP-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC=CCCCC1(CNC(C)C)CCCCC1	2009617051	OIKQDBWNBJOYKM-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1N	2009619417	LDZFSDLVJMXEIV-VREHXWONSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)C[C@@H](NC)C1=CCC(C)(C)CC1	2010769027	NEFGSSUWEPMKOM-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CC1(CCC)CCC1	2015640242	QBCAKOLBVBHELY-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1(CC(C)C)CC1	2015755401	QZJJIWHCOZSRSX-KEDPEKRHSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](NCC)C1(CC2CCC2)CC1	2015797635	XGSDVGAHGZFVEO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)C(C)(C)CCF	2016764390	YYVVREZWXVRKTG-KGLIPLIRSA-N	245.426	4.567	0	10	BJAE	
C[C@@H]1C[C@@H]1CCNC1CCCCCCCCC1	2016826648	LIKYJNQEBUAYIE-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H]1CCCC1(C)C	2018129827	LHSDLJBPEVKSTH-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@H](C)CC(C)C)CC1	2019005965	KSKUALJBEIHBHY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C2CCCCCC2)C1	2019200125	GITYHYJNFXRRKX-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CCCCC1CC(N(C)[C@H](C)CCC(C)C)C1	2019406700	JZLZJRNUGZPPSG-QQFBHYJXSA-N	239.447	4.712	0	10	BJAE	
CCC1CCC(C[C@@H]2CCC[C@@H](C)C2=O)CC1	2024002780	BPFQJKCESQBIGX-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(CCN[C@@H](CC)CCC(C)C)C1	2025378317	QMEPCALDLINMRM-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CC[C@@](N)(CC2(C)CCCCC2)C1	2025631740	LHEWHRPCEPHKEE-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC1(CCC)CC1	2026169138	GQSSETAMMTYRHJ-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
c1sc([C@H]2C[C@@H]3C[C@@H]3C2)nc1C1CCCCC1	2026597312	LAYKYIPBRJVARG-CLLJXQQHSA-N	247.407	4.704	0	10	BJAE	
C[C@@H](c1ccccc1)[C@H](O)CC1(C)CCCCC1	2027312786	YWKQRYRVNODISB-GOEBONIOSA-N	246.394	4.512	0	10	BJAE	
Cc1ccc(N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)cc1C	2027793127	KJINJEGIHYGQTQ-LNCBFAARSA-N	245.410	4.786	0	10	BJAE	
CCCc1oc2c(C)cc(C(C)(C)C)cc2c1O	2028132814	WWKYRFLWQFFQDL-UHFFFAOYSA-N	246.350	4.697	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](NC)c1ccccc1C1CC1	2028602404	IJWGCLGLNBDLGY-RHSMWYFYSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)[C@@H]1CCCC[C@@H]1C	2028897330	KZHDDMIBTDUVCD-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](NC)c1ccc(C2CC2)cc1	2029074844	NJDZDLFXZRAZQC-OGHNNQOOSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@H]2CCCC23CC3)C1	2031817495	AUIFFXAXUCVLLB-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@@]1(C[C@@H]2C=CCCC2)CCCC1(C)C	2035591730	WOODADBXTVBLLA-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@@H](C)[C@H](C)CC(C)C)c1	2036385790	WGGBAAGOHORGAL-OWCLPIDISA-N	247.426	4.716	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)c1ccc(C)c(C)c1	2037169424	UFRDBKWGBGOMNJ-QGZVFWFLSA-N	245.410	4.614	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNCCC1(C)CCCC1	2039452562	KKRUPSVOOONJEJ-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](N[C@H](C)C1(C)CCCCC1)c1ccco1	2039853133	SZEQXFOHGBPBQQ-ZIAGYGMSSA-N	249.398	4.679	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H](C)C12CCC(CC1)C2	2039855104	OYNZRWXHPBSPOI-GTPINHCMSA-N	249.442	4.633	0	10	BJAE	
CCC[C@@H](N[C@H](C)C12CCC(CC1)C2)C1CCC1	2039866312	XIIAEFKCGBPLBD-FDVNEVKMSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2C=CCCC2)CC1	2041375497	IPFFWRSAOIJKGE-PMPSAXMXSA-N	248.410	4.908	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CNC(C)C)CC=CCC1	2042091100	IKZFDEDYLNQIHH-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
Cc1cc(C(=O)CC2CC(C(C)(C)C)C2)c(C)o1	2043000697	CLZHZWOQWLQDPC-UHFFFAOYSA-N	248.366	4.542	0	10	BJAE	
CCCC1([C@@H](C[C@@H]2CCC=CCCC2)NC)CC1	2045323061	JMFGTACXCPRFDR-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@@H]1C(C)=CCC[C@H]1C	2045750625	WNEJLOKEHCLYTK-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@@H]1C(C)=CCC[C@H]1C	2045808615	XSHOTNZROOEXJZ-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@H]1C(C)=CCC[C@H]1C	2045811204	UUNHLFONDORRLA-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CNC2CCC2)(CC2CCCC2)CC1	2046219863	VSLNSHRDYMLMQG-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H](CC1CCC1)NC1CC2(CCCCCC2)C1	2046234094	XQTWZEMRJSZNDH-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CCCC12CCCCCC2	2046561459	GEKMBYOIFLVLHV-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@H]1CC12CCCC2	2047014397	BNFRFFIUYDDXNF-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNC[C@]2(C)CC=CCC2)CC1	2047726827	RCNWVLGNFZIGLM-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCCC1=C1CCC2(CCCN2)CC1	2048948453	GKDGRPPBXRSJLV-XPCCGILXSA-N	247.426	4.579	0	10	BJAE	
CC(C)C(=C[C@@H]1CCCC(C)(C)C1)CNC1CC1	2049515778	UACHNNZUBHETJU-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@H]1CCC2(CC2)C1)C1CCCCCCC1	2049954771	PAKVMDCUHFUVQZ-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
Cc1ccc(NC2C3CCCC2CCC3)cc1C	2050040928	BKUCULQTPUXIOV-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CCC1(C)CCC(N)(CCC2=CCCCC2)CC1	2051613244	OMYHANXXYWEQHD-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CCCNC[C@@]1(CC2(C)CC2)CCCCC12CC2	2053353859	BTBXCVWFNASXGA-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1=C[C@H](N[C@H](C)[C@@H]2CCCC(C)(C)C2)CCC1	2055551639	IHHWPCYICMOYNX-BZUAXINKSA-N	249.442	4.680	0	10	BJAE	
C=CC=CCC[C@H](NC)C1(C)CCC(C)(C)CC1	2056559185	PUHZIFSOXYFZKW-HNNXBMFYSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)C1(C)CC=CC1	2056646131	RROVIEKRMXVXLV-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1CC(C2CCC2)C1	2056680151	PJZSDAGQAIBZOT-OFLPRAFFSA-N	249.442	4.501	0	10	BJAE	
CC=C(C)[C@@H](NCCC)c1ccc(C(C)C)cc1	2056778178	XDYQNXFENMQGNF-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2056783846	ZOJYWVOERJQCFU-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C=C2CCCCC2)C1	2056917260	QMJDTFRWKSXHKH-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCC1(CC)CC(Nc2ccc3[nH]ccc3c2)C1	2058831275	JFZXNRYEVJRJIA-UHFFFAOYSA-N	242.366	4.549	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CC1CC(=C2CC2)C1	2061684965	MGFNVCNUSSIHFR-IRXDYDNUSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@@H]1CCNC2(CCC2)C1)C1CCCCC1	2063231757	DQXSFQRFXBVSJL-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCC1)CC1C[C@@H]2CCC[C@H]2C1	2063490473	LIWRUMOGFVVQTL-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC[C@](CNC)(CC1CC(=C2CCC2)C1)C(C)C	2064509723	XXWYKPHHILGTFO-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CC12CCC(CC1)CC2	2065337824	CMLDGDHTLRXGJU-MNAZLIDISA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CC23CCC(CC2)CC3)C1	2065340330	VKXPTNASZRURJE-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@]1([C@H]2C=CCCCCC2)CCC1(C)C	2068241187	AZLLZKMLTRRIHK-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068698850	NBBCRXFDUROAIW-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@H]1C[C@@H]2CC[C@@H]2C1	2068707860	MUZZPLBDQREKAN-JONQDZQNSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1C[C@@H]2CC[C@@H]2C1	2068796429	RKZRHCYROOSCTP-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](NCC2(CC3CC3)CCC2)C1	2069506136	XXZVETKSYWDXCN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCOc1ccc(NC[C@H](CC)C(C)C)cc1	2070272128	QUEHTGFAIVTZQR-AWEZNQCLSA-N	249.398	4.570	0	10	BJAE	
Cc1ccc(C(=O)CC2(C(C)C)CCC2)cc1F	2071916981	FZYCDAZBWCVXMZ-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1CC2(C1)CC21CC1	2072227044	DSORTTSULMFVGR-UUCFBXCCSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@](C)(N[C@H]2C=CCCCCC2)C1	2072612913	XFCNTWHXNHINEH-DOTOQJQBSA-N	249.442	4.824	0	10	BJAE	
CCC1CCC(C[C@H](NC)[C@H]2CC=CCC2)CC1	2072808365	FYFZXWLYCUJENJ-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCc1occc1C(=O)CC1CCC(CC)CC1	2072882104	RNNHOBPHVPOTKP-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
CC1(C)CC[C@@](C)(NC[C@H]2CCC=CCCC2)C1	2073064105	OKBATZSVXCBTDZ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CCCCN([C@@H](C)c2ccccc2)C1	2074793505	WSFWTVLJYOVKFP-RDJZCZTQSA-N	245.410	4.506	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@H](C)c1ccccc1	2075143609	IBLMULLPNAMUAM-RDJZCZTQSA-N	247.426	4.691	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2C[C@@H]2C2CC2)CC1	2079336674	JZGCVXBDBVOQES-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2C[C@@H]2C2CCCC2)CC1	2079659899	JHYDVNOHCUGVBN-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@H]1CC1(N)CC2(CCC(C)CC2)C1	2079887111	TWSDNCSKQAZRGG-YTVKCJQUSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(-c2cc(Cl)cs2)c1	2080280983	JGAIRBUZMFRALN-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
N[C@]1(C2CCCCCC2)CCC[C@@H]2CCCC[C@@H]21	2081133857	SMMJHPHZFMYRJG-XIRDDKMYSA-N	249.442	4.645	0	10	BJAE	
C1CCC(C[C@@H]2CCCNC23CCCCC3)CC1	2083811884	GISXAYAUYNRBLM-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CC=C(C/C=C/c2ccccc2)CC1	2210666723	HXFAORSOKITEAZ-LHRNQBEKSA-N	212.336	4.836	0	10	BJAE	
CCC(CC)C[C@H](O)c1sc(C)c(C)c1C	2211704712	MQMNTLBXQDEFJB-ZDUSSCGKSA-N	240.412	4.533	0	10	BJAE	
CCCC[C@@](CC)(CCC)CN[C@H](C)CC	2212580795	REGREFZWJCLTFK-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC=CCCCc1ccc(OC)c(C(C)C)c1	2213140729	SELSPXBAPNJYQZ-UHFFFAOYSA-N	232.367	4.717	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2213270485	FNFKMQXZFOTTLM-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2213284527	IVFVEOWQHLZWEJ-VMHKJOPMSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C)NC[C@](C)(C[C@H](C)C(C)C)C(C)C	2217123763	BCTVKMMNDUEDBQ-JYJNAYRXSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](N[C@H]1C[C@H](CC(C)(C)C)C1)c1ccco1	2218041743	ZJQVHHGSOXYAAG-MGPQQGTHSA-N	249.398	4.535	0	10	BJAE	
C1CCCC(CNC2CC(CC3CC3)C2)CCC1	2218557004	PTLQCQOHNITZCO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CN(CCCCCCC1CC1)C[C@@H]1C=CCCC1	2218730633	GLWISICDXCQEBZ-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(N)CCC(C3CC3)CC2)C1	2218896358	HKYXRSIUDLUWIP-MHABSNSOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C[C@]2(C)CC=CCC2)C1	2221603810	WKEIOSVMYLTSOE-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CCN[C@@H](C)c1ccc(F)cc1C1CCCCC1	2221803638	XOGHVOOIBHCTEA-LBPRGKRZSA-N	249.373	4.544	0	10	BJAE	
CC=CCCC[C@@H](O)c1ccc(C2CCC2)cc1	2223681305	NTKLEYLETGMBDO-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CCCCCC1CC1	2244768450	XTYFBZHOHQJSKR-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)CNc1cc(F)ccc1Cl	2244801430	LHNURBOGWLRVJE-SNVBAGLBSA-N	243.753	4.717	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H]1CCC12CCC2	2247309185	UOBGDIOHSVSORO-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CCC12CCC2	2247391252	MZSUXNCZCMMKQS-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CC[C@@H]1CCCC12CC2)NC	2247619429	NSGZOUFZGYODFI-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C1CC(C)(C)C1	2248809990	XFIVQFYYQIYWHO-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCN(C)CCC(C)(C)C	2248840080	LIZGNHDTVOLMDH-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccc2sccc2c1	2250368762	DWPWTQGGQQLNBU-ABAIWWIYSA-N	247.407	4.727	0	10	BJAE	
CC[C@H](N)[C@@](C)(F)CC[C@@H](C)CCCC(C)C	2250480092	BRMBAJDGNUWLLS-KKUMJFAQSA-N	245.426	4.695	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)CC[C@@H]1CCCCC12CC2	2253816186	UDGBQJGNIVQPKJ-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C2(CC3CC3)CC2)C1	2253910701	LKULTIVBSXVQGD-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCNC[C@@]1(CC2=CCCCC2)CCCC[C@@H]1C	2255102497	RZHKGWJHZUWKGT-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
C[C@@H](Nc1ccc(C2CC2)cc1)[C@@H]1CC12CCC2	2256446860	YLQHXAZUMQXUHI-WBMJQRKESA-N	241.378	4.555	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)[C@H]2CC23CCC3)c(C)c1	2256450984	GYBDUNIJJJTTTN-HUUCEWRRSA-N	243.394	4.602	0	10	BJAE	
CCc1ccc(OCCCCC[C@H]2C[C@H]2C)cc1	2257248957	VBBXTKOICBFLCY-ZBFHGGJFSA-N	246.394	4.844	0	10	BJAE	
CCCc1ccc(CC(=O)[C@H](CC)CCC)cc1	2259440278	DIEPKPQRAACQPM-MRXNPFEDSA-N	246.394	4.577	0	10	BJAE	
CC1CC2(C1)CC(C[C@@H]1CCCC(C)(C)C1=O)C2	2259578806	WQDMJTFMOCDOCS-XJIRZWNVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@]23CCC[C@@H]2CC3)C1	2260516393	MNJPNQCRTCCCCZ-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CCCCC1CC(NC[C@]23CCCC[C@H]2CC3)C1	2260554023	LRKIEDMFXCYRLY-ODZFXCKXSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCCN[C@]23CCCC[C@H]2CC3)CC1	2260607908	BPMXGYKCTOMBLA-IRXDYDNUSA-N	249.442	4.659	0	10	BJAE	
c1ccc(C2CC2)c(NC[C@@]23CCC[C@H]2CC3)c1	2260616577	GXSHPXHGMVGXMW-YOEHRIQHSA-N	241.378	4.556	0	10	BJAE	
C[C@]1(C(=O)C[C@@]23CCCC[C@H]2CC3)C=CCCC1	2260627298	RNIXCSGUEPGVJR-XIRDDKMYSA-N	246.394	4.662	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@]1(N)CCCC(C)(C)CC1	2298948010	KGDFWVBQTZLNII-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1CCC[C@H](CC)N1	2300184602	IENZTSLPHWYUDJ-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@H]1CCC[C@H](C)C1	2300472132	NTIJCIOFXVRACI-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CC(=CC[C@](C)(O)CC1CC1)CCCC(C)C	2300913193	CAUSUSZIMCQXFX-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2301063783	XGDKOFWQXJHGAO-MFUPNPBTSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H]1CCCCN1CC1CCCCCC1	2301141151	WKDLBYGQHFXVES-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)CC1CCCCCC1	2301201519	NFBYPZPJQYNVKN-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)CC1CCCCCC1	2301958396	KJSNIDOFUPMFAA-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1ccc2sccc2c1	2301961211	IUGPHKSZJFGYCG-NWDGAFQWSA-N	247.407	4.994	0	10	BJAE	
Cc1cc(-c2cccc3c2CC(C)(C)C3)cs1	2302235916	HQXWOZAWNBZAPK-UHFFFAOYSA-N	242.387	4.848	0	10	BJAE	
CC(C)CC(C)(C)NCCCC1=CCCCC1	2302345544	TYRFORLPZZAXMC-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)NCCCC1=CCCCC1	2302358764	JWKDIADDWZJLPB-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCC[C@@H]2C[C@H]21	2302985384	BBLZMWUWMCLLAB-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCCNCC[C@H]1CCC(C)(C)C1	2304424471	WUFHNDNUEFLEKE-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@](O)(CC)C1CCCCC1	2307836657	ARXKBFOTZWDBLT-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1CCC2(CC1)CC2	2307897255	AEXHTMXOWUHQTM-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@H]1CCC[C@@H]1C	2307901058	HJNXEUBJHCCJBK-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@@H](NC)C[C@H](CC)C1	2307906558	GIITVDBDYWNBHQ-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1	2309147593	HATAMRDVCANVEK-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)[C@@]12CCCC[C@@H]1CCC2	2310428769	SPPZXXSUSXGJML-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)C[C@@]12CCCC[C@@H]1C2	2311148200	RXYHUZKAHLZURP-FSDCSDTHSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1C[C@@H]2CC[C@H]1C2	2312879809	KKAPOOXVKSADGQ-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)[C@@]12CCCC[C@@H]1CC2	2313289473	GXNNEGVAKHFXSX-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2313330721	OSRCBZWLUYKXIA-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
CCCc1cccc([C@@](C)(O)CCCC(C)C)c1	2315895362	DMICMNKUURFHLK-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1ccc([C@H]2C[C@H]2C)o1	2316251163	HILVPORQYPJBNQ-KWCYVHTRSA-N	249.398	4.619	0	10	BJAE	
CCC(C)=CC[C@]1(CNC2CC2)CCCC[C@H]1C	2316488887	CVVKHBACKVQNGI-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CNC[C@]1(CC2CCCCCC2)CC=CC[C@@H]1C	2316936700	FXUIDBICVRDTGQ-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)NCCCC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317148756	PFMNHPXJYGQTPD-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCc1cccc(CC)c1N[C@@H](C)[C@H](C)C(C)C	2317995287	OWFOWZPKSBNDET-KGLIPLIRSA-N	247.426	4.904	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@@H](N)CCCC1=CCCCC1	2318561567	OTNPXQMAEZSVHQ-UAGQMJEPSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@H]1C[C@H]1C1CCCC1	2318943080	CQZLPCQKFOYBSB-DYWXZXKOSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cc(F)ccc1C1CC1	2319172984	CVFKRLAYCYZPSU-OAHLLOKOSA-N	249.373	4.529	0	10	BJAE	
C[C@](N)(CC[C@H]1CC[C@@H]1C1CC1)C1CCCCC1	2319738873	RIZNYITUKSPMMN-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H](CC1CC1)C1CC1)C1(C)CCCCC1	2320521583	RJMMTQNBVDAMSU-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
Cc1cc([C@H](N)CC[C@@H]2CCC(C)(C)C2)oc1C	2321646340	WLDPATMOPYLLPO-ZIAGYGMSSA-N	249.398	4.503	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)C1CC(=C2CCC2)C1	2328274733	MFWURRXGFGMSPU-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)c1ccccc1CC	2328282350	OJZLFNJNMBDYPJ-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
Cc1cc(C)c([C@H](C)Nc2ccccc2)c(C)c1	19233262	UDEAQQKXZNDZKP-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
Cc1ccc(N[C@H](C)c2cccs2)cc1C	19920143	HTWOHCVCUHKWKK-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
CCCCCCN[C@H]1CC[C@@H]2CCCC[C@@H]2C1	34994809	ARZBROVXVVBURX-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(N[C@@H](c2ccccc2)C(C)C)CC1	35015821	KIGNQPMMWFMFHD-BDVYOWHSSA-N	245.410	4.552	0	10	BJAE	
CCCCC[C@@H](NCC)c1cc(C)ccc1C	35546416	SCVIGDSWIBKDLJ-MRXNPFEDSA-N	233.399	4.534	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H](C)C(C)C)cc1	36953556	RWWZEMNRAAFGLQ-OLZOCXBDSA-N	219.372	4.657	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1	37185371	MRPKRIOICXSKGQ-BFYDXBDKSA-N	243.394	4.766	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](CC(C)C)c1ccccc1	37295185	KIBIMVAXRSBHJZ-WBVHZDCISA-N	247.426	4.942	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)c1ccc(C)s1	50328556	OZYVTQYQESMTLR-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@H](CCC)CNC(C)(C)C	71126984	GMGHOBUIKUDXQC-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(C)(C)CNC(C)C	71127453	QWHJVUCGAKAEBC-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CCC[C@@H](C)C1	85387927	VXIXPRJFJMYKHH-PWSUYJOCSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(C)CCCCCN1	85874624	BUCPOSFMNRORNV-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
Clc1cc(Cl)c2ccccc2c1Cl	90484179	MRJBOPVWPORBKZ-UHFFFAOYSA-N	231.509	4.800	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCCCC2(C)C)C1	94323402	CTNNSGFZEWQVHQ-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@H]1C[C@H](C(C)(C)C)CCC1=O	109655073	QJBYYSGPYXYPRY-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
CCCCc1ccc([C@H](C)NC[C@@H](C)CC)cc1	109955129	DFVPRWQVFKIUMA-GJZGRUSLSA-N	247.426	4.726	0	10	BJAE	
CC(C)c1ccc(Nc2cccc(Cl)n2)cc1	110547066	XPPLFNZELNFDBH-UHFFFAOYSA-N	246.741	4.602	0	10	BJAE	
Cc1ccc([C@@H](O)CCCC(C)C)cc1Cl	124284842	WNHHMXPTHGKHBZ-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
Cc1cc(NCCC2CCCCC2)ccc1F	125095028	DBQLWYTUBIWMPI-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCC1CCC([C@@H](C)[C@H](O)c2ccccc2)CC1	129032494	FVKDUHCRXATKKX-VXTDNTOSSA-N	246.394	4.573	0	10	BJAE	
CCCCC[C@@H](NCC)c1cccc(CCC)c1	131526936	PZNRZGXBPQVPHU-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
C(=C/c1ccc2cccccc1-2)\c1ccccc1	148319634	BBMMUJMDXMJVLF-VAWYXSNFSA-N	230.310	4.962	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1CCCCC[C@@H]1CNCC	155784146	TWZLWIYAKBEARF-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](NCCCC1CC1)c1ccccc1	161468797	UPISBUQUQWOLHV-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1C)C(C)(C)CC	163542262	CCVQTZDBUNFGSH-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCCC(O)(CCC)[C@H]1CCCC[C@H]1CC	163746615	DBSPFIBNVDWAAO-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCC1(C(=O)CCCc2ccccc2)CCCC1	165198203	WIEQCLVEVGJPGP-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CCCCC[C@@H](N)c1ccc(C(C)(C)C)s1	165413084	IOLZBWUTYQGSSM-LLVKDONJSA-N	239.428	4.626	0	10	BJAE	
CC(C)CCC[C@H](O)c1csc2ccccc12	165610367	VMCKHRZBTDMFEM-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CC(=O)c1ccc(-c2ccccc2C)cc1Cl	167257496	JYYJYDBRYMUQPT-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CCc1cccc([C@H](O)C2CCCCCCC2)c1	168054790	JGDZSYRWNSKMRX-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)C1CCCCC1	224941725	CECMLFBCOLMKAV-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
Cc1cccc2c(CCC3CCCC3)c[nH]c12	235921303	RTRUVJHMTMHWQB-UHFFFAOYSA-N	227.351	4.599	0	10	BJAE	
CC(C)n1c([C@H](C)C#N)cc2cccc(Cl)c21	260404421	QRKMXOHFDIVNHN-SNVBAGLBSA-N	246.741	4.503	0	10	BJAE	
CCc1cc2ccc(SC)c(Cl)c2s1	307190799	AOMUFADDJUUQIV-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](CCCC(C)(C)C)NC	308077713	XFXCYALHVXMLAH-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC1(CNc2ccc(Cl)cc2Cl)CCC1	308986142	LYEQEFCPJLQUGH-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CCN[C@@H]([C@@H](C)CC(C)C)C1(C)CCCCC1	310183374	UXTKHJHUOIBPQY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H](CC2CCCC2)Nc2ccccc21	310214673	VRCAGOBXKRRNDI-OCCSQVGLSA-N	229.367	4.555	0	10	BJAE	
CCC[C@@H](C)C[C@]1(O)CCCCC12CCCC2	310254027	KVVDBJCGMZYLKW-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H](C)CCC(C)(C)C)CC1	310309063	SYHWJMLWHSUIRS-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CC(C)c1ccccc1[C@]1(N)CCC[C@H](C)CC1	311238059	UZMDTIYGQVKSRW-YOEHRIQHSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(O)CCC(C(C)(C)C)CC1	319046067	UYMPAPJKIPBIEC-NOZYUVCASA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@@H](C(=O)[C@H](C)C(C)C)c1ccccc1	320081535	XSPLLWSBIKKYEP-SQWLQELKSA-N	246.394	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C(C)(C)C1CCC1	322363889	IDSSKWZGFVFTAZ-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C(C)(C)C1CCC1	322527019	VIFLVHZMBHGSIW-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](NCC2=CCCCC2)CC1	379584125	UBODYCHDHDKVNX-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(O)cc1-c1cccc(C2CCC2)c1	383267440	HBYICVLNXLASSH-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)CC1CCCC1	383323930	YEDKZZJJKXCWFS-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C(C)(C)C(C)(C)C)C1	383899532	WFMWJAZUAXGQHH-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC1(C[C@H]2C[C@H](C(C)(C)C)CCC2=O)CCC1	383931060	SPRKUQHQIMGWPU-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@H](C)CC(C)(C)C)c1	384441561	GJAGPJQKOVBZKB-HUUCEWRRSA-N	247.426	4.779	0	10	BJAE	
CC/C=C\CN[C@@H](CCCC)c1ccc(F)cc1	384768725	BMSSICHSORUPGA-WRLNGNIRSA-N	249.373	4.613	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1cccc2ccsc12	386287041	GVKACHRBEZBAKU-BXUZGUMPSA-N	248.391	4.761	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccc2sccc2c1	386409293	JGZDYSZOGAQJPV-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
CC[C@H](N[C@H]1CC12CCCCC2)c1cccs1	387114029	JBHWGIAMHFEJHY-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](O)(CC)C2CCCC2)C1	387591019	SPCNJNUGLZGYMT-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC23CCC3)cc1C	394805883	HQXQEAVLBYMVEF-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
CCc1ccc(C(F)F)c2sc(S)cc12	396233610	DWKBTVOHBDOTHY-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCC[C@H](Nc1ccc(CC)cc1)[C@H]1CC1(C)C	397640279	XOHQAJJEIOZOCT-CVEARBPZSA-N	245.410	4.876	0	10	BJAE	
CCC[C@H](N[C@H]1CC12CCCCC2)[C@H]1CC1(C)C	397655182	MQIBCPOJGDFMTA-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCC1CCC1)CC1CCCCCC1	398943649	XGNMUUDUQMWMKC-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@H](O)c1ccc(-c2cccc3ccccc23)cc1	404764600	FNCFVVAKNSAVJX-ZDUSSCGKSA-N	248.325	4.560	0	10	BJAE	
CC(C)c1csc(-c2cc(Cl)cs2)n1	675076530	OMEZJYIVZIKTIS-UHFFFAOYSA-N	243.784	4.648	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCCC1CCC1	688413798	SWIBUIIVCXTRNV-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCCC1(CN[C@H](C)CC2CCCCC2)CC1	689756902	UBGBYOCYRJSTOI-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1Nc1ccsc1Cl	691036628	FBIRVOGJJCSRLJ-NXEZZACHSA-N	243.803	4.782	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC[C@H](C)CC)CC1	696162765	QFOKOVWHJWMIAT-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)[C@H](O)C1CCC(C(C)(C)C)CC1	700945266	XKELAPJUKWFHHI-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccc2sccc2c1	701091770	QUTZTEOWBNQMMA-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@@H]1C(C)(CC)CC	701146138	RBUMFTBCQJNEHC-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)[C@H](NC)C(C)(CC)CC	701243967	NSILICPNBQAGNM-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)CCCC23CCCCC3)C1	704446264	WXFIIQICDFLTTB-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@@H]1CCCC[C@H]1C	704806096	ZHCLIHUSSWWHAL-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(C)(C)CCNC(C)(C)C	704862670	ZECJRIOTMWASDG-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CCC2(CC1)CC2	704863062	HLOHMVJCWZRAAN-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CC1CCC(C)(C)CC1	704889673	LRHBZXZUYPXNLJ-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H](C)[C@]12CCCC[C@H]1C2	709155053	RUMSFRHRSCHFEG-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)c1ccccc1Cl	709247891	GTMBDYFWOLBBPZ-SNVBAGLBSA-N	238.758	4.595	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](CCC(C)C)C1CC1	710023773	IQHUMQVGBBALJN-DZGCQCFKSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@@H](C)C(C)(C)C	710755081	STJDKSWSQOQLDK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H](C)C(C)(C)C)NCC	711156517	HHMNPWABODNBGD-ZNMIVQPWSA-N	241.463	4.863	0	10	BJAE	
CCc1cc(N[C@H]2C[C@@H]3CCCC[C@@H]32)ccc1C	712422672	ISWUGBAOLDRZHI-XIRDDKMYSA-N	243.394	4.548	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(N)CC(C)(C)CC[C@@H]1C	713165670	RBOQDKQPOJHOGS-BBRMVZONSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)C[C@@H](C)c1ccccc1	713182950	OCABFSPIROMWTB-GDBMZVCRSA-N	248.410	4.613	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C(C)C)C1CCCC1	713269244	SNKLMHOCPOJBTQ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C1CC2(CCC2)C1	717523124	JMTDHZRATWPPBU-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CNC(C)C)CC1(C)C	718653036	WFNVBGBWGSROKS-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)CSc1ccnc(Cl)c1	718869060	YZSFFMFQYXCTQQ-UHFFFAOYSA-N	243.803	4.509	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1CCCCC1	720357147	FAHZZFRYRURNPF-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCCN[C@H](c1cc(C)cc(C)c1)C1(C)CCC1	720773589	MKANMPVRNXNHJB-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H](CC1CCCCC1)Nc1cccnc1C	720990645	VSLBDRMUIKPAMK-HNNXBMFYSA-N	246.398	4.551	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1CCCC12CC2	720995055	YURVMWNHXMKDKR-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)N(CC(C)C)CC1(C)CCCC1	1180132649	JZRNVPLYFVIQFM-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CN(CC)C[C@@H](C)CC(C)(C)C	1653148203	IVIRRBQADRCBEE-AWEZNQCLSA-N	241.463	4.817	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CCCC23CC3)CC1	1656755401	OXHXXIVGVWSHIQ-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC(C(C)C)C(C)C	1658148905	SVLJJLVTYJWULY-OAHLLOKOSA-N	239.447	4.639	0	10	BJAE	
CCCCC[C@](O)(CC)CCC[C@@H]1C[C@H]1C	1896919016	ZJQIHRRMCIJSOQ-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CC(=CC[C@H](C)C[C@@H](C)N)CCCC(C)C	1900850574	ZXLGCOQQHSQORY-LSDHHAIUSA-N	225.420	4.523	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC1CCCCCC1	1901059294	UQWUXYILIOPJHO-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(Cl)c(O[C@H](C)[C@H](C)C(C)C)c1	1901620649	XERXYCXRJVCZPA-VXGBXAGGSA-N	240.774	4.708	0	10	BJAE	
C[C@H](CCC1(N)CCCCC1)CC(C)(C)C	1902146837	CVVVJLGJQRKSQE-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(NC[C@@H]2CC[C@@H]2C(C)(C)C)cs1	1902742826	SHTLJZVKWACHKN-AAEUAGOBSA-N	237.412	4.541	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)c1ccsc1	1905436024	WIXWAVNTHGXFRQ-TZMCWYRMSA-N	239.428	4.615	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)CCC(C)C	1908552332	NHQZNMWKMOOXQT-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1Cn1ccc2c(Cl)cccc21	1910798906	IJTWSYZZYPEEQB-AAEUAGOBSA-N	247.769	4.587	0	10	BJAE	
CC=CC[C@H](C)c1ccc(OCCC)cc1	1912110291	FNZSZPSJWUGQJR-ZDUSSCGKSA-N	218.340	4.545	0	10	BJAE	
CC(=CCl)C[C@@H]1CCCCCCCC[C@H]1O	1913397879	KNTUWZPDKFVWET-UONOGXRCSA-N	244.806	4.631	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(N)CCC3(CCCC3)C2)C1	1916436803	JEOHHAJMTZFKHJ-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CCn1ccc2cccc(Cl)c21	1921441478	ASOISBSTYHAQSQ-LBPRGKRZSA-N	247.769	4.731	0	10	BJAE	
CC(C)CC(N)(CC[C@@H]1CC1(C)C)CC(C)C	1921560643	CYNOJZKKERLFFI-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)C[C@H](O)c1c(C)c(C)cc(C)c1C	1926380305	SMVOLFSTOJUQHW-INIZCTEOSA-N	248.410	4.780	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1ccsc1Cl	1927981178	WYFRWCZVUGMROI-KOLCDFICSA-N	246.803	4.507	0	10	BJAE	
CCCCC(=O)CC[C@H](CC)CCCC	1933336527	SHCNODNGBHLBMT-CYBMUJFWSA-N	212.377	4.742	0	10	BJAE	
CC[C@@H](NCC(C)(CC)CC)c1cccs1	1936270043	BFPKBEVZLZNQMQ-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](CC[C@@H](C)CC(C)C)NCC	1939123544	XMCQTDDLABUUDR-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CC(=O)c1ccccc1C(C)C	1940616576	OPYHILDCZPABBZ-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CC[C@@H]1CC1(C)C	1940853239	MBJCOOBZZMEYGL-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C1(C)CCCCC1	1940881887	HRIWVGLSAJDYFM-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C1CCC(C2(N)CCCCC2)CC1	1941144463	NLQFMQDJCMKYKJ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@H](CC(C)C)C(C)C	1941263617	DBXSJMFHYUXTSD-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
Cc1cscc1CNc1ccc(C(C)C)cc1	1941467922	KHKISWAQOKFGKR-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CCCCCC(=O)c1ccc(C2(C)CC2)cc1	1941568559	VZUNOPCCGUDGTC-UHFFFAOYSA-N	230.351	4.501	0	10	BJAE	
CCCC1CCC(NC[C@H](CC)C(C)C)CC1	1941934225	IXPMYNRWBDUBET-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCCC)C1(C)CC(C)C1	1941984340	SUOGMFCQLFDHRG-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2(C)CC(C)(C)C2)C1	1941987788	MOXPROUYQAFJBN-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)[C@@H](C)CCC(C)C	1942653528	RGJYTBMZLITJOH-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H]1CCC(C)(C)C1	1945578089	CLTMFDGIHZEJGH-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](NC1CC2(CCC2)C1)c1cccs1	1946636657	YJRYFTDMCKVIOG-ZDUSSCGKSA-N	249.423	4.512	0	10	BJAE	
CCCN[C@H](CC(C)(C)F)[C@@H](C)CCC(C)C	1947086978	HUTOUVQAFGQBKM-UONOGXRCSA-N	245.426	4.565	0	10	BJAE	
Cc1ccc(C[C@H]2C=CCC2)c2ccccc12	1947551929	KBPLIXKWZHAVQW-AWEZNQCLSA-N	222.331	4.657	0	10	BJAE	
C[C@@H](NC1CCCCCCCCC1)C1CCC1	1947880992	JNSITGSXYAPAKW-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCC1CCC(C(=O)C2CC(C)(CC)C2)CC1	1948407809	UOOASDVAPSLSOY-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C1CC(C)(CC)C1	1948412405	FCGNBPUJTBEYNB-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
C[C@@](N)(CCC1=CCCCC1)C1CCCCC1	1949047697	VWTYFZRLBXWASL-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCC[C@](O)(CC1CC2(CCC2)C1)C(C)(C)C	1949851691	YBVSCRQRTUXVSF-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CCC2CCCC2)CC1	1950929188	FGVXQCSAIJXMQP-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CC(C)=CCCC(F)(F)c1ccccc1	1961401586	LOAJKCYRSSFWCL-UHFFFAOYSA-N	210.267	4.525	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)c1F	1965896907	WJVYEBOOUNXWPI-HZSPNIEDSA-N	247.357	4.515	0	10	BJAE	
C[C@H](COc1cccc2c1CCCC2)C(C)(C)C	1968651336	IBSMQHWLQGCFNY-CYBMUJFWSA-N	246.394	4.626	0	10	BJAE	
C[C@H](NCC(C)(C)C1CCCCC1)c1ccoc1	1970825318	WEHGYQBNRZYLHE-ZDUSSCGKSA-N	249.398	4.537	0	10	BJAE	
CCC[C@@H](NC1CC2(CCCCC2)C1)C1CCC1	1972428620	OCFFIHULZSNRFL-MRXNPFEDSA-N	249.442	4.658	0	10	BJAE	
CCCCC[C@H](O)[C@H]1CCC[C@@H](CC)CC1	1976340597	COQDAVCSMHTUIB-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1cccc(Cl)c1	1980680768	JVFKGPMTSIZCLB-CQSZACIVSA-N	240.774	4.590	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C)c1ccsc1	1986948602	PSTMNHUFCJECND-OCCSQVGLSA-N	239.428	4.614	0	10	BJAE	
CC(=O)c1cscc1-c1sccc1C1CC1	1987177813	VTQJWLYUTISPKT-UHFFFAOYSA-N	248.372	4.557	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)c2ccsc2)CC1	1989779730	HRYQVXZMSVAPAL-HAQNSBGRSA-N	236.380	4.537	0	10	BJAE	
CCCCC[C@H](CC)NCC(C)(C)C(C)C	1990093797	ORDMPKBEEDELEY-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
C/C=C/CCC[C@H](O)CC[C@H](C)CCCC	1995258440	DOBHZBPPFVABTL-WBNAFJIESA-N	226.404	4.700	0	10	BJAE	
CCCCCCNc1ccccc1SC1CC1	1996550825	XNTMRASLTMUOFO-UHFFFAOYSA-N	249.423	4.933	0	10	BJAE	
CCCSc1ccccc1NC1CC(CC)C1	1996564750	UBAJKQFIYYOURT-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CCCSc1ccccc1N[C@@H](CC)C1CC1	1996572232	BYNMMWSRKMHFDN-ZDUSSCGKSA-N	249.423	4.789	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC[C@@H]1CCC=CCCC1	1999995601	GZZRKYWNOWLKKV-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H]([C@H]2CCCC(C)(C)C2)C(=O)C1	2000098001	YAKGROWPFLYAMM-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)[C@@H]1CCCC(C)(C)C1	2000108155	XAILGMLKVGYJJG-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cccc(C(F)F)c1	2000188724	KWFVAPBCSAKTBT-JTQLQIEISA-N	240.293	4.633	0	10	BJAE	
CCCCCCN[C@@H](C)C1CCC(CC)CC1	2002923552	HFSRGNPGWHGCFF-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(N)[C@H]1CCC[C@H](C)C1	2002998374	KSJXPEXOHDKVIS-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CCCC1CCC1	2003074136	HNBDNKPUAFMSSL-OAHLLOKOSA-N	236.399	4.886	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC1CCCCCCCC1	2003092921	MTYCLDSFVOBSSJ-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CCC(F)(F)CCC1(O)CCCCCCCC1	2003112404	UEPHGKYFKNMLQJ-UHFFFAOYSA-N	248.357	4.677	0	10	BJAE	
CC1(C[C@H](N)C2=CCCCCCC2)CCCC1	2003185486	SOJQXCPQINNEOS-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2003220898	LCVBWQWFAFXPEC-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H](C)c2ccc(C)s2)CCC1	2006913445	HFWSAQROBSAKKP-UONOGXRCSA-N	249.423	4.596	0	10	BJAE	
CC1=CCCC[C@@H]1NC(CC(C)C)CC(C)C	2007028008	UXNSTJYLKQDJNL-INIZCTEOSA-N	237.431	4.536	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CCCC(C)C	2007934092	GPPCULWBSVFCSN-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1(C2CC2)CCCC1	2008483379	OMVANYJEQVAPBY-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H](CCC2(C)CC2)Nc2ccccc21	2009549893	VWMHBBGWAACPET-OLZOCXBDSA-N	229.367	4.555	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H](CC)C(C)C	2009616285	HPIOPGXZRBTKNN-MYNUTGAYSA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1(C(C)C)CCC1	2009618012	YFISCTDKXILTPY-KEDPEKRHSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(N[C@H]2CCC[C@@H](C)CC2)C1	2009713589	CDIUBSVDRRCIOC-CIDNJEQPSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010723155	SVUAUUGQHVDSTQ-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](CCC)NCC[C@]12CCC[C@@H]1C2	2010995176	NBGYAZCVWVDWBU-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC[C@@H]1C[C@@H](N)CC2(CCC2)C1	2012052090	ABOBWVONLRIGSZ-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@@H]1C=CCCCC1	2013270279	HFAVSQYALABJSO-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@]1(CNC2CC2)CCC1(C)C	2014862303	OXEUNAHXRCWSDJ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@]2(O)CC(C)(C)C[C@H]2C)CCC1	2015639640	IXRVWMQQIHRIIM-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C1(CNC(C)(C)C(C)(C)C)CCC1	2017144046	SAWJXMMQBIDKBA-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@H]1CC[C@H](C)CC1	2017776691	SJRUNEIGLRIWLD-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H](CC)CC(F)F	2018135141	VYUOJUVGXWWAOV-TZMCWYRMSA-N	249.389	4.746	0	10	BJAE	
CCCC1(C[C@@H](N)C2CCC(CC)CC2)CC1	2018922323	VAQBPNVVJRVJCN-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CC1(CCC)CC1	2018969001	AECAUNNFIOJWFY-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)N(C)[C@H](C)C1CCC(C)CC1	2019297443	LFPJPYPZQQHJHI-PWUWZPNHSA-N	239.447	4.568	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H]1CCC[C@@H](C)C1	2019344035	IKDIKPHQUSAZKX-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CC[C@]1(C)CCCN([C@H](C)CCC(C)C)CC1	2019421177	LVRPIHGBNBBTLL-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)C[C@H](C)C1CCC1	2019765957	GLMYQJNFGQPCBL-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCC2=CCCCC2)C1	2019769410	QWHNMDXQOTZKCP-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(NC[C@H]2C[C@@H]2C2CCCCC2)cs1	2022496259	QALBQLQEHWJCMP-UKRRQHHQSA-N	249.423	4.685	0	10	BJAE	
CCC[C@H](C(=O)C[C@H]1C[C@@H]1C(C)(C)C)C(C)C	2022560451	OORXSXTZRGFDDC-RDBSUJKOSA-N	238.415	4.700	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)c1cc(C)c(C)s1	2023980461	RJKVILNNYDTJAD-QMTHXVAHSA-N	248.391	4.540	0	10	BJAE	
C[C@H]([C@H](N)C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2024095565	RGRULBINGCWHMK-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)C[C@@H](C[C@H]1CCCC(C)(C)C1)NC	2024100345	BUFDTONUXXOWBH-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H]1[C@H](C)CCC[C@H]1NCCC	2024517428	RMAMAEYMGCHWIE-PSVUTLLTSA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H]1C[C@H]1CC(C)C	2027028426	IRPCVOJKMILIFV-ZACQAIPSSA-N	249.442	4.559	0	10	BJAE	
CC1(C[C@](C)(N)[C@]23CCCC[C@@H]2C3)CCCCC1	2027307812	YAGLMAVTCMNWGP-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@H](NCC)c1ccccc1CC(C)C	2028914626	IGXLRXIFJVGRMX-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](CC)c1ccc(C)cc1	2029968141	ZIIDMNNNLARVDX-PBHICJAKSA-N	247.426	4.862	0	10	BJAE	
C[C@@H](Nc1ccc(C2(C)CC2)cc1)c1ccco1	2032242383	GTIWWMAMDLBUQW-GFCCVEGCSA-N	241.334	4.504	0	10	BJAE	
CC(C)[C@H](Nc1ccccc1C1(C)CC1)C1CC1	2032244028	BFDRTPSDGGZYPD-INIZCTEOSA-N	243.394	4.585	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H](C[C@H]2C=CCCC2)C1	2035592124	OEMYJOJLJBHPIY-JONQDZQNSA-N	249.442	4.523	0	10	BJAE	
OC1(C2=CCCCCC2)C[C@H]2CCCCC[C@@H]2C1	2035852892	OCPVAULASCLRAN-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@H]1CC=CCC1)C1CC(C)(CC)C1	2036475970	OYXYTJPFLBCQMV-SOEBMCCKSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C1(C(C)C)CCC1	2037055545	RXLWDGZXCDBECX-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
CC(C)(CC[C@@]1(N)CCCC12CCCC2)C1CC1	2037163286	VYONHGOYKFACHY-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
N[C@]1(CCC2=CCCCC2)CC[C@@H]2CCCC[C@@H]21	2037174025	ZNJBHKNFLFGNED-YESZJQIVSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2C=CCCCC2)CC1	2037273727	YBGLCCPHOOGDII-IKGGRYGDSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@@H](CNC[C@H]2CC=CCC2)CC1	2039379453	ZRNBPEGRCCEPCP-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CCCC(C)(C)[C@H](NC)c1cccc(C(C)C)c1	2040719001	ILVDKOGOXIVQQR-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2C=CCCCCC2)CC1	2041500734	WGMHCZVFRIVRFO-IXDOHACOSA-N	249.442	4.824	0	10	BJAE	
CCN[C@H]([C@H]1CCC(C)(C)C1)[C@]1(C)CC=CCC1	2042017119	RBURQTFFIMGAQY-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC[C@H]1CC1(C)C)[C@@]1(C)CC=CCC1	2042031768	WKACTHRYJKHWLP-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CCCNC1(C2CC2)CCCCC1	2042950079	CNZKCEVTEZFXGP-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1CCC2(CCC2)C1	2043617167	YRZJPBNSJNXUON-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCCC(=C2CNC3(CCCCC3)C2)C1	2045504857	DJCXHEXIMNYHGL-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1c(C)oc2ccccc12	2045584352	IKPLGQSQKHLSEQ-GHMZBOCLSA-N	244.334	4.606	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1c(C)oc2ccccc12	2045584355	IKPLGQSQKHLSEQ-WDEREUQCSA-N	244.334	4.606	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)[C@@H](c1ccccc1)C(C)C	2045673258	DWTPRLFMUKQUTJ-GDBMZVCRSA-N	246.394	4.678	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CC1CCC=CCC1	2045682741	QFEBXAXOVYLEQX-RHSMWYFYSA-N	246.394	4.684	0	10	BJAE	
CCCC[C@@](C)(CN)Cc1ccc(C(C)C)cc1	2045977029	VWXVFYIUCGMZKM-QGZVFWFLSA-N	247.426	4.508	0	10	BJAE	
CCCC[C@](C)(CNC)C[C@@H](C)c1ccccc1	2045987731	OMHOMHWXCIHETC-WBVHZDCISA-N	247.426	4.596	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@@H]1CCC12CCC2	2047930669	AVZQZGNZEOKSEM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
NC1(C[C@@H]2[C@H]3CCCCC[C@H]32)CCCCCCC1	2048442725	GXODWIWVTRJWQY-ZSHCYNCHSA-N	249.442	4.645	0	10	BJAE	
CCCC1([C@@H](CC2CCC3(CC2)CC3)NC)CC1	2049852575	FIBHKGMRGZPFAS-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@H]1CCC2(CC2)C1	2049852884	CVGZUBPXFVMJNK-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C[C@H](N)C[C@H]2CCCC3(CC3)C2)C1	2049857089	PNEZJOUJKJIARR-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CCCNCC1(C[C@H]2CCC3(CC3)C2)CCCC1	2049858025	ODXJHBNQXSUTQD-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@@]1(C)C=CCCC1	2049995604	AOJIFRPITDBSIZ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CC[C@H]3CCC[C@@H]32)CC1	2051599293	NMLBMRZKSPWDHU-SFOJROILSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](C[C@@H]1CC12CC2)C1(C)CCCCCCC1	2052479863	LKNRJOXKNZNWJF-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(CC2(C)CCC2)CCCC12CC2	2053352998	YLAMGBBUMQKYMR-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCCC[C@@H]2C(C)(C)C)CCC1	2055551038	WAUZUCQXWZSYQS-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
Cc1cccc(C(=O)CCC2CC(C(C)C)C2)c1	2056672652	AACGJQNLWMAUTC-UHFFFAOYSA-N	244.378	4.640	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)c1occc1C	2056876420	QETYFYJGZDASIL-HNNXBMFYSA-N	247.382	4.519	0	10	BJAE	
CC=CCCC[C@H](O)c1cc2cc(C)ccc2o1	2059220898	GJGDIVMLDIPLTM-AWEZNQCLSA-N	244.334	4.521	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H]2CCCC[C@@H]2[C@@H]1NCC	2059251839	CCQHVMBWDHKODW-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCC)C1CC[C@@H]2C[C@H]2CC1	2059251888	COQHTACPZXHUAS-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)C1(C(C)C)CCC1	2060925712	MOGZILKRTFHGHS-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@H](N)C1CC(=C2CCC2)C1)CC(C)(C)C	2061737248	PEQKVRGNGQXKMA-WBMJQRKESA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccccc1C(=O)CCC[C@H]1C[C@H]1C	2062623548	CWXCFYVPZXVMRG-KGLIPLIRSA-N	244.378	4.819	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CC3(C2)CC3(C)C)CC1	2064110056	XCODZGZQVSHTJS-FSOQPWQOSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2068711356	SHIZQZOJMCJMEA-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCCC23CCC3)CCC1	2069344166	IBBYZKCVISBBBV-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H](C)c2ccccc2)CC1	2069504508	BDHVSEGSCVLMEQ-CQSZACIVSA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)C[C@@]12CCC[C@H]1C2	2070967043	LYFVOTODWOANBJ-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](c1ccccc1)C1(C(C)(C)C)CCC1	2071937435	AVLMSCJJBGERRN-OAHLLOKOSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@@]3(C)C[C@@H]32)CC1	2072805683	DYSYVWQBMPKZSK-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](NCC)c2cc(C)oc2C)CC1	2074641442	JYBJDOIPMSKWRW-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@H]2CCC23CCC3)CC1	2074646485	MXHVEPZUNZGLGY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](N2CCCCC23CCCC3)CC[C@H]1C	2074800122	RZKSXAUVGYIJJN-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@H]2CCC3(CCC3)C2)C1	2074891078	DTQBUOMUKKYDSH-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CC[C@H](CN2CCCC23CCCC3)CC1	2075344549	SJGDOMSVFXBFDB-WKILWMFISA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@H](NCC)C(C1CCC1)C1CCC1	2077191089	ZCIWDLKEYMILDO-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@@H]1C1CCCCC1)C1CCC1	2079530642	PBABQHUUMDWSTB-IKGGRYGDSA-N	249.442	4.514	0	10	BJAE	
CC(=C[C@H]1C[C@H]1C1CCCCC1)CNC(C)(C)C	2079662177	TXGBSDJPUJRRHX-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(N)(C[C@H]2C[C@H]2C2CCCC2)CC1	2079666234	PYCLIKSLXWQUST-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H]1CCCCC12CCC2	2079852139	OUWZWXMUEWGPGD-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC1(CC(=O)C[C@H]2C[C@@H]2C2CCCC2)CCCC1	2079852939	SWHBJJAXWXSTSM-GOEBONIOSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@]2(N)CCC[C@H]3CCCC[C@H]32)CCCC1	2081132492	JYRAVXQCLGRFBU-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H]1[C@H]2CCCCC[C@H]21	2081787360	VBKNQFWXRNGEOZ-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H](NC[C@@H]2CCC=CCCC2)C1(C)C	2084429590	MROURVSEGHVCAZ-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)C=Cc1ccccc1	2086056092	FURJAZHRZCFCNR-WBVHZDCISA-N	245.410	4.634	0	10	BJAE	
CC[C@@](N)(CCCCCCC1CC1)C(C)C	2210527358	QOBYHOWLTPSQOV-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](CCCCCCCC1CC1)C(C)=O	2212441990	GBXKAMAWFYSDNF-HNNXBMFYSA-N	224.388	4.742	0	10	BJAE	
CCN[C@@H](CCCCCCCC1CC1)C(C)C	2213576884	VQTVRDDWQGASHS-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CCCCCCC1CC1)CNC	2213578203	JOQMJOULVQNPTF-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@](O)(CCCCCCC1CC1)C1CC1	2213578885	AZBGQUDOZWYGBP-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1ccc(C(C)C)cc1	2215315342	WYCDAULKBUZITR-DZGCQCFKSA-N	231.383	4.658	0	10	BJAE	
CCCCN(CC1(C)CC(C)(C)C1)[C@H](C)CC	2215439503	HSWFSWLIBFQCMP-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)[C@]1(C)CC=C(C)CC1	2215819853	ZIFQEVATSIMMLF-NUEKZKHPSA-N	237.431	4.537	0	10	BJAE	
CC1(C[C@@]2(O)CCC[C@H](C(C)(C)C)C2)CCC1	2216247187	JUTIBRHVKVFQDH-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C(CCCNCCC1CCC1)CCCC1CC1	2216882956	DZOYZXWPXKCADC-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H](C)NCC1(CCC(C)(C)C)CCCC1	2217138895	UNOVYBRKKRBBLV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C(C)C)CCC[C@H](C)CC1	2217143494	WYMQNQLJEVNULG-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CN(CCCCCCC1CC1)[C@@H]1C=CCCCC1	2218675508	VFNPIGITVZHHHK-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
CN(CCCCCCC1CC1)[C@H]1CCCC12CC2	2218732162	QGGBAHSZDWRSKM-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC(C)C1(CC2(N)CCC(C3CC3)CC2)CCC1	2218888075	XMJPDYITGVKTFB-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C/C=C/c1ccccc1	2219050277	SYAQCQWRKRMWLE-GYPZGHTGSA-N	246.394	4.667	0	10	BJAE	
Cc1c(CC=Cc2ccccc2)ccc(F)c1F	2219070109	NXPREEGFCBUDQB-UHFFFAOYSA-N	244.284	4.529	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@]1(C)CC=C(C)CC1	2221622559	IHZMYSUOCAWWEV-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1C)[C@]1(C)CC=C(C)CC1	2221628342	CULQLBDTCVWVMW-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C1CC[C@H](CC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)NC1	2222918814	NXCFTZFUKDTKJD-YLFCFFPRSA-N	249.442	4.515	0	10	BJAE	
CCC1(NC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1	2222933168	KHZDXRPNHUGGJD-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC/C=C/CNC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222949874	SOGRAMHMVYFZNG-KMXYYMKLSA-N	249.442	4.539	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@H]1CC2CC1C2	2223132092	GDKSSAXLJOQSJJ-GPANFISMSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@@H](CC)CCC	2244774734	INYATBIHZFVJCX-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(SC)cc1	2244798741	BOMQTORAOLSZJI-GFCCVEGCSA-N	237.412	4.647	0	10	BJAE	
CC(C)c1cc(C=O)cc(CCC(C)(C)C)c1	2247254404	GYJDJZFAFZMIKS-UHFFFAOYSA-N	232.367	4.601	0	10	BJAE	
FC(F)(F)c1cccc(CC2=CCCCC2)c1	2247498798	MGFPWFYXHCIPDG-UHFFFAOYSA-N	240.268	4.748	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C[C@@H]1CC1(C)C	2248812528	AOPMXQAUCLEZRH-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H](N)CCCCC[C@@H]1C[C@H]1C	2248839922	DOBUKGGDHVQKMK-FVQBIDKESA-N	239.447	4.747	0	10	BJAE	
Cc1cc(F)ccc1-c1csc(C(C)(C)C)n1	2248963897	RYCUIPLKNKYWIT-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1=C[C@H](O)CCC1	2250481455	LUILOGUKCVOOAK-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCCC1([C@H](N)CC[C@H]2CCCCC23CC3)CC1	2253839129	LZDXAQOKDDWIMD-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc(NCC2CC3(CCCC3)C2)c1	2254081642	DNYYECQMBFEAOA-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CC(C)c1cccc(NC2C[C@H]3C=C[C@H](C2)C3)c1	2257925091	HLVIWKQFYDZTJR-KBPBESRZSA-N	241.378	4.577	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H](C)[C@@H]2C)cc(C)c1C	2258240030	SWEBOCJPNIGFKW-XNJJOIOASA-N	245.410	4.848	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cccc(C(C)(C)C)c1	2259431784	XSDUAVQTXOKMAG-BBRMVZONSA-N	247.426	4.810	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@@]23CCCC[C@H]2CC3)C1	2260518547	FPWZMERFQUXJPG-SOXILONMSA-N	248.410	4.598	0	10	BJAE	
CC1(CC(=O)[C@@]23CCCC[C@@H]2CC3)CCCCC1	2260547722	QWCRSSGPIMJIHQ-RHSMWYFYSA-N	248.410	4.886	0	10	BJAE	
Cc1c(F)cccc1NC[C@@]12CCCC[C@H]1CC2	2260582084	HRZDTILRVWWYFN-BBRMVZONSA-N	247.357	4.516	0	10	BJAE	
CC(C)(C)CC1CC(CNCC2=CCCCC2)C1	2261194390	IZKVXLXVJROPSN-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)CC1CC(C[C@H](N)[C@H]2CC=CCC2)C1	2261262053	JVVYUEILLIFVCK-CKUJCDMFSA-N	249.442	4.523	0	10	BJAE	
Cc1ccc2[nH]c3c(c2c1)C(C)(C)CCC3(C)C	2261370953	TXEJIZRXAMUSJZ-UHFFFAOYSA-N	241.378	4.825	0	10	BJAE	
C[C@@H](N[C@@H]1CC(C)(C)CCC1(C)C)C1CC=CC1	2261397113	FEWISWGDWZPDSF-UKRRQHHQSA-N	249.442	4.536	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CC[C@@H]2C[C@@H]2C)CC1	2298127013	MJFSLLHDGHZQSK-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](CC)(CC[C@@H]1C[C@@H]1CC)CNC	2298128634	MNLLDGKZTGYDRR-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1C[C@@H]2CC[C@H]1C2	2298387195	RMGYFXGNOHLNNM-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)[C@H](C)CC1CCC1	2298908676	RKLDGTWVPBFYRF-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC(O)(CC1CC1)CC1CC1	2300158715	XVYOOXIUSCSSPT-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@H](CC(C)C)C(C)C	2300686488	RELRVUSTPNYBSV-HZPDHXFCSA-N	242.447	4.882	0	10	BJAE	
CC(=CC[C@]1(N)CCC[C@H]1C)CCCC(C)C	2300887344	HDNSRIUWNFMNNW-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC(=CC[C@](C)(N)C1(C)CC1)CCCC(C)C	2300901371	IRMMIJUFWVSICI-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@H](CC2CCCCCC2)[C@H](N)C1	2301137144	FIGAKTZLGRMODD-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCCN([C@H](C)[C@H](C)C(C)C)C1	2301966621	DBSLMHDJLFUDFA-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@H]1CCC(C)(C)C1	2302688840	AQFHSNHTAXOZFY-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CCC(C)(C)C(=O)C2)C1	2302760929	NAABOTZRRXZTPW-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@@](N)(CC(C(C)C)C(C)C)CC1	2303579359	MLWZARLYWAFSJR-MRXNPFEDSA-N	237.431	4.523	0	10	BJAE	
CCC1([C@H](O)CC[C@H]2CCC(C)(C)C2)CCC1	2304360050	PONIMUVZSWTKPU-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC12CCCCC2	2307826332	LICPGDDYGHUSKL-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CC1CC(C)(C)C1)NC	2307895934	XQZNBRDDRDQFFZ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@@H](CC)CCC	2307904417	UFLJYJDBSOKCGQ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@@H](C)C1CC1	2307905738	YZIHXXJBVFWDFG-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC[C@@]23CCC[C@@H]2C3)CC1	2310379702	FOKWSHGLFQBLRG-KLZNWCGWSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC[C@@](N)(C[C@@]12CCCC[C@@H]1C2)C1CC1	2311147216	CSLJOGWJAXVBOU-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@H]2CC[C@@H]1C2	2313180215	YHHPGIFSCSIMFB-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC=CCC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	2316531875	JYNRUPHDBUFLKR-JOHJCKIYSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@@H](NCC)c1ccc(F)cc1C1CC1	2317095554	UNQRSMUATANHRB-MRXNPFEDSA-N	249.373	4.544	0	10	BJAE	
OC[C@]1(CCCC2=CCCCC2)CCCC12CC2	2318570961	ZNTZTGJGCXZXLS-KRWDZBQOSA-N	248.410	4.600	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)[C@H]2CC23CCCCC3)C1	2319121056	JMJYDVSGUQOJQX-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C[C@@H]2CCC[C@@H]3C[C@H]23)C1	2319297451	RHIFJZSUZNPZAG-TTZDDIAXSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CC(=O)C[C@@H]2CC[C@@H]2C2CC2)CCC1	2319500014	KLPRHBSILVTNIQ-GOEBONIOSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@H](NCCCC2CCCCC2)CC1	2320237019	FSMODGUMYDAPJA-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(CN)CCCC[C@H]2C)CC1	2320326419	FKHOPKYYCUVTBR-BRWVUGGUSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)[C@H]1CCCCC12CCC2	2320403796	PJMSNVJAILXOEX-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H]1C[C@H](C)c2ccccc2N1	2320455534	HPMZJDAGUGBFSM-YJNKXOJESA-N	243.394	4.801	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C2=CC[C@H](C)CC2)c1	2320523338	LZXYZLOJVBEJAX-GUYCJALGSA-N	243.394	4.556	0	10	BJAE	
C=C=CCC[C@H](NCC)c1cccc(C(C)C)c1	2320526880	FRBCASCSTJCIFZ-KRWDZBQOSA-N	243.394	4.582	0	10	BJAE	
CCCCCCc1ccc([C@@H](C)C[C@@H](C)N)cc1	2327912835	YGVUDSMPPLRYBP-LSDHHAIUSA-N	247.426	4.650	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1C[C@H]1c1ccccc1	2328270455	ZMGZICURTFMZBV-VNQPRFMTSA-N	244.378	4.576	0	10	BJAE	
CC[C@H](Nc1ccc(C)c(F)c1)c1cccs1	19985120	SVWVGNNCOREHEA-ZDUSSCGKSA-N	249.354	4.759	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(F)c(Cl)c1	20429672	MNUGWSVQGGDRBC-SNVBAGLBSA-N	243.753	4.860	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)(C)C)c1ccccc1	35540478	IWEKJTPBOIHNDT-GOEBONIOSA-N	247.426	4.800	0	10	BJAE	
CCN[C@H](c1ccc([C@@H](C)CC)cc1)[C@@H]1C[C@@H]1C	35544421	YAICRLFAOSIYCQ-WRFANHODSA-N	245.410	4.507	0	10	BJAE	
CCCCC[C@@H](N[C@@H](C)C1CC1)c1ccccc1	37259465	NSQLQELGHBYZBI-WMLDXEAASA-N	245.410	4.696	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@]1(N)C1CCCCC1	37376984	RDJOUYWLCDBICO-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)c1ccc(CC)s1	50887748	TUMLXDCKTLJBKF-RYUDHWBXSA-N	239.428	4.540	0	10	BJAE	
CCCC[C@H](CC)CC(CC)(CC)CNC	71128005	BAMJOLBTSUAPMS-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2ccc(F)c(C)c2)C1	71154605	YSKCUMOZZILWNQ-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCC[C@@H](C)CC2)c1	86880670	LRUYTTNATUQTLJ-DGCLKSJQSA-N	235.346	4.515	0	10	BJAE	
CCCC1CCC([C@H](NCC)c2ccoc2)CC1	87964269	IOTLIONGZOBETH-XUJLQICISA-N	249.398	4.537	0	10	BJAE	
CCCCC[C@@H](O)C1CCC(C(C)(C)C)CC1	87985367	RQTGYTZMSHQIOO-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NC1CCCCCCC1	88506300	QPMDAVXJRIWIFB-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Sc1cccc(C=O)c1	90870219	ZTINHZJFPFFTRJ-UKRRQHHQSA-N	248.391	4.560	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@@H]1C=CCCC1	123773590	GKZUGFPSOJPVNU-OAHLLOKOSA-N	230.351	4.606	0	10	BJAE	
Cc1cc(C)cc([C@H](C)Nc2cccc(F)c2)c1	132416494	ZZZQKVWOVQDDJZ-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@H](C)CC1CCCCC1	133203868	SDCXSHMBALADMT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)COc1ccc([C@H](C)CC)cc1	142482133	OMQJMULWEKFPCC-QWHCGFSZSA-N	220.356	4.625	0	10	BJAE	
CCCC[C@@H](NCCC)C1CCCCCCC1	159109474	WHANINOBRNHDQP-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCNC[C@@H](C1=CCCCC1)C1CCCCC1	161452319	NJXDYLUZOOKVRQ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc(C)c([C@H](C)NC[C@@H](C)C(C)(C)C)c1	162711607	JKPWJNQECMBYMW-CABCVRRESA-N	247.426	4.636	0	10	BJAE	
CCCNC[C@H]1CCCC[C@@H]1CCCC(C)C	166349923	YLUWPJWFIZGDFB-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CC[C@@H](CC[C@@H](O)c2ccccc2)C[C@@H]1C	221322356	SLBZEMVLXVXVTN-QBYUYEEZSA-N	246.394	4.573	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CC[C@@H](C)C[C@@H]1C	221729219	PIVNBDSAWUCLMF-QXSJWSMHSA-N	239.447	4.747	0	10	BJAE	
CCCCCCN[C@H](CCC)CCCC	225977141	MAOPUAQEXJVXEF-CQSZACIVSA-N	213.409	4.515	0	10	BJAE	
CCCC[C@H](CCC)NCc1c(C)cccc1C	226006927	PBINEYVIVSCCLI-INIZCTEOSA-N	247.426	4.752	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](N)CC2CCC2)cc1	232158283	AXADMFRMBCGXMR-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2cc(C)ccc2F)C1	235677623	IJDXXUYEYNJXSK-OCCSQVGLSA-N	247.357	4.538	0	10	BJAE	
OC1(C2=CCCCCC2)CCC2(CCCC2)CC1	236482382	GRLJQMZBPXGNFN-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](CCC)CC[C@H]1CN	250821543	LJPWPTZFFFEXIL-OAGGEKHMSA-N	239.447	4.748	0	10	BJAE	
O=C(C1CCCCC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	253197448	UWBLOYXSBDXDFT-VNQPRFMTSA-N	248.410	4.742	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@H]2CCCCC2(C)C)C1	300077650	FDRPCTVYXFFABE-BPUTZDHNSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@](N)(CCC2CCCCC2)[C@H](C)C1	302240229	DDBNTSKLZNVRLT-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
Fc1cc(Cl)ccc1OC1CCCCCC1	304354726	XPGKKAOSAXTQQG-UHFFFAOYSA-N	242.721	4.581	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC(C)C)C(CC)CC	305921885	IAMKCBJFFBUDHI-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCC[C@](O)(CCCC(C)(C)C)c1ccccc1	305960571	WSZZUAWQPLXFJM-KRWDZBQOSA-N	248.410	4.891	0	10	BJAE	
CC1(C[C@H](N)[C@H]2CCCCC2(C)C)CCCC1	310271505	NLSKGTVCLSHDAW-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC[C@@H](C)C1CCCCC1)NCC	310475598	KBHYSJWGVVONDV-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC[C@@H](N)c2ccccc2)C1	310744407	IKWKXNUJZBWBHX-BFYDXBDKSA-N	245.410	4.683	0	10	BJAE	
CC1CCC(C[C@H]2CCc3cc(N)ccc32)CC1	310765004	NMPAOZKKXUROCP-JXQTWKCFSA-N	243.394	4.515	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCCC2)CCCC[C@H]1C	317239623	AFBBUDQYMISNET-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC1CCC(CNC2CC2)(CC2CCCC2)CC1	317950699	SHSXJUIQJQHSQI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CNC)CC[C@H](C)C1	318016042	QSFIECRNZMGWOC-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCCC1CCC([C@H](O)[C@H](C)C(C)C)CC1	319310521	HMJCWLHUYWYDSF-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@H](C)n1ccc2cccc(Cl)c21	319524159	ACPJHDGHTHORLE-QWRGUYRKSA-N	235.758	4.902	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCC12CCCC2)C1CCC1	322241857	AKRTZXSNOKPRTH-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)CC/C=C/c1ccccc1	324213467	XXIJZHFWWKMUIV-LXUUZPSESA-N	245.410	4.503	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@](C)(O)C2CCCCC2)C1	380037339	IDIKVMKZVSTYAQ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(=O)c1cccc(-c2ccccc2C(C)C)c1	381409266	YGLDQGUHPOSITA-UHFFFAOYSA-N	238.330	4.680	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C[C@H](C)CC[C@H]1C	383161667	JAXMHFSDYUBWDF-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)CC2(C)CCCC2)CC1	383176798	OVEABBNMBKIGKS-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1Cc2ccccc21	383204051	ZUAWQWKGJFRPOL-MRXNPFEDSA-N	244.378	4.502	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CCC1CCCCC1	384959234	HCDXOTXQRKYEQW-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CC/C=C1\CCC[C@@H]1[C@@H]1CCCCN1	386283473	OJIOLTNQXWTMCY-GQXMGIGRSA-N	249.442	4.681	0	10	BJAE	
Cc1cc([C@H](C)NCCC2(C)CCCC2)c(C)o1	386322507	IQIFTFSIJOXNAH-ZDUSSCGKSA-N	249.398	4.517	0	10	BJAE	
CCCCCC[C@@H](O)CCC1=CCCCC1	386337115	WKHAZBIFUXGKRZ-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)CCC1=CCCCC1	386346281	XTJZUOUNODDJSS-AWEZNQCLSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	388708739	OYWYGOVMSXPTQZ-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCCC1(O)CCCCCC1	394733684	IEPWQEUDGWJALA-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)c1ccccc1CCC	394988097	CXHRVLOECMQKAQ-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CCC[C@](O)(C[C@H](C)CC(C)C)C(C)(C)C	395322213	MPSFZHSOAVBDNO-HIFRSBDPSA-N	228.420	4.636	0	10	BJAE	
O=C(CC1=CCCC1)c1cccc2ccsc12	401107721	GLBPFBXFTRGSPW-UHFFFAOYSA-N	242.343	4.584	0	10	BJAE	
CCC(C)(C)CC(=O)CC(C)(C)c1ccccc1	686742734	TZGHHPBXIRIIFR-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CC[C@H](C(=O)CCC(C)(C)CC)c1ccccc1	688963197	FJYNGWMVZFHBIQ-HNNXBMFYSA-N	246.394	4.966	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)C1CC(C)C1	691961407	CMXDKUAHOHAFBE-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@]12CCC[C@H]1C2	693142200	BVAQUQCNLZFAII-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCC=C(C)C)CC1	697816864	SYXJVYDZEPJZFQ-HDJSIYSDSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@@H](C)NC1C(C)(C)CCC1(C)C	699593775	SFJRZVXWDPOZMH-CYBMUJFWSA-N	239.447	4.760	0	10	BJAE	
CC(C)CCCCNCC[C@@H]1CCC[C@@H](C)C1	703953798	FNGAGAHVKYGQNG-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CCC)NCCCCC(C)C	703981031	XTSNKHATZPYEDS-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCCC12CCCC2	704446232	ICZCAGSLMARKJA-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCNC[C@]1(CCC=C(C)C)CCC[C@@H]1C	704569876	HPPGBKLRJXYKQX-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1CCCC12CC2	706546508	RWPMMWAPWVZINB-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCC[C@@H]1CC=CCC1	706959502	KAFYJZALSTWBTM-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C/C=C/CCNC(C)(C)C)CC(C)(C)C	709077306	ABJPCWWVPPZODU-VFNNOXKTSA-N	239.447	4.783	0	10	BJAE	
C[C@H](C[C@@H](O)CC(C)(C)C1CC1)CC(C)(C)C	709168899	TVJKVVNXOITRCQ-TZMCWYRMSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CC[C@H](C)CC1	709244471	YQTBSFOIYVUQMC-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
c1cc(C2CCC2)ccc1NCC1CCCC1	709658173	BFXHDGWXGKTOML-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
Cc1cc(N[C@@H]2CCC23CCCCC3)cs1	710773735	JIKDFXGZHDFSTA-CYBMUJFWSA-N	235.396	4.581	0	10	BJAE	
CC(C)(C)C[C@@H]1CCCC[C@H]1CNC(C)(C)C	713166007	CULSPVBQJNDLMO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)(CC(C)(C)CC)C1CCCC1	713198710	JQWHTJIZCKUMGP-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCCC[C@@H]1C(C)(C)C	713239673	AJNZZACHWPJICP-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@]1(C(=O)O)CCC=CCCC1	719082299	CMDOGCAQNXRFAW-HNNXBMFYSA-N	238.371	4.548	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	723615974	TZNBGGOSHUUQHC-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)SCc1ccc2c(c1)CCC2	1166122617	GRUDYWHGMBTQMJ-INIZCTEOSA-N	248.435	4.987	0	10	BJAE	
CCC[C@@H](Cc1ccccc1)N(CCC)CCC	1167305932	AFAHTZPYSMVJPC-KRWDZBQOSA-N	247.426	4.520	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCC(C)(C)C[C@H]1C	1308921137	HPVLFOUZZQUYAA-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C1CCC(CN2CCCC3(CCCC3)CC2)CC1	1473637016	NXSIKNGDWCEPLV-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCCCC[C@H](C)NCC=Cc1ccccc1	1879765428	QBTDRKKELANOLK-INIZCTEOSA-N	245.410	4.648	0	10	BJAE	
Cc1cc(-c2ccc(C3CC3)s2)cs1	1889509303	FHSFGSOTDCXLFI-UHFFFAOYSA-N	220.362	4.662	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)c1cccc2ccsc12	1910139500	HLHYXTXGOXCEDS-ZYHUDNBSSA-N	244.359	4.520	0	10	BJAE	
C=CC=CCCC1(CNCC)CCC(CC)CC1	1912053151	XXGKMYUEWYMCOX-UHFFFAOYSA-N	249.442	4.705	0	10	BJAE	
CN[C@@H](CC1CCCC1)C1CC2(CCCCC2)C1	1912598306	BWGAEGRSRRBXET-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C1CC2(CCCCC2)C1	1912614115	OIBYOXSLFKHNHZ-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1Cc2nc3ccccc3c(Cl)c2[C@H](C)C1	1916087459	RUWFEICBZFYRNV-VHSXEESVSA-N	245.753	4.574	0	10	BJAE	
CC[C@@H](C)C[C@@](C)(O)c1ccc(CC(C)C)cc1	1919642992	AGHMIAROZNVRAI-RHSMWYFYSA-N	248.410	4.529	0	10	BJAE	
CCCCCC[C@@](C)(O)CCC(F)(F)CC	1919937316	JUJUIRRLFNCPJX-GFCCVEGCSA-N	236.346	4.533	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@@H](C)CCC(C)C	1920202807	MLWDVLUPLMXODA-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CCCC1CCC1	1920204822	UWIKYQHLNAPFNF-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@H](C)C1CCCCC1	1924074840	IBMZZUBMWOHDII-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
FC1(F)CCC[C@H]1CCC[C@@H]1C=CCC1	1932593466	SEVFVMADGUAWAF-VXGBXAGGSA-N	214.299	4.558	0	10	BJAE	
CCC[C@H](CCC1(C)CCCCC1)NCC	1935624834	HKVWYUWZKZJLAB-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC1(C[C@@H](O)C2(C)CCCCC2)CCCCC1	1940404505	ZCOWWSNXTRWKPY-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1cccc2ccsc12	1941268218	CDDYIYUWZOQAMO-TZMCWYRMSA-N	247.407	4.583	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CCCC1CCC1)NC	1941272816	NCQHWMKMZULURU-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C[C@H](C)C1CC1	1944516373	BUECYEGLPVLQOX-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC1CC(CC(=O)C(C)(C)C2CCCCC2)C1	1944643386	YCIRXFZBNGHGJG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2CCC[C@H]2C)CC1	1944797383	OLHQIONKVDRRLH-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@@H]1CCC[C@H]1C	1944836453	KVPCNSSCQVWDBY-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)[C@@H]1CC1(C)C	1945822699	HLQCAEKUGCJGKU-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CCCC(C)C	1948965322	YISVGPTWNTYCON-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@](N)(CCC[C@H]2CC2(C)C)C1	1949050478	FHBFKUSWFWIAME-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c([C@H](N)CCC2=CCCCC2)s1	1949050511	FNYRDAYQWFBZFL-CQSZACIVSA-N	249.423	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@H](N)CC2(C)CCCCC2)C1	1949069769	JFTLCUZGGNXAMD-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(N)([C@H]2CCC(C)(C)C2)CC1	1949453258	ORTNOGPSYGYSSS-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)[C@H]1CCC(C)(C)C1	1949550514	DMYPTOZPWLFUQU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)CC2CC(C)(C)C2)C1	1949734752	UQOKHRFBIYYINV-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](O)[C@H]1CCCC(F)(F)CC1	1949889698	KEICWGJUVXBZPC-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC1(CCCC[C@H](N)CC2CCCCC2)CC1	1949907265	MCTJJXHMQZZVFU-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CCC[C@](CO)(CCCC(C)(C)C)CC1	1950909012	SIXMFNGKVBJKRJ-HOCLYGCPSA-N	240.431	4.782	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2CCCCC2)CC1	1950929458	HFNJPIAIADZDLS-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCC=C[C@H](C)Cc1ccccc1OCC(C)C	1951308363	FJYJYEBCSWDQJO-HNNXBMFYSA-N	246.394	4.866	0	10	BJAE	
CC(C)[C@@H](C)N(Cc1ccccc1)CC(C)(C)C	1953230307	BNHZIMZODOTFQG-OAHLLOKOSA-N	247.426	4.579	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC[C@]2(C)C=CCCC2)C1	1966038328	SEFYIVFDIMWVRO-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cc(C(C)C)ccc1C	1968595723	AFXXAYODZVIUQJ-GXTWGEPZSA-N	233.399	4.965	0	10	BJAE	
CCc1cc(NC2CC(C3CCC3)C2)ccc1C	1969681945	YIHZYOWNWKXGNS-UHFFFAOYSA-N	243.394	4.548	0	10	BJAE	
C[C@H](CC(C)(C)C)NC[C@@H]1CCCCC1(C)C	1970082771	SVOPUTHIYXZBSY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)Nc1cccc(C2CC2)n1	1970303010	QDHKILNDNLGSNU-GFCCVEGCSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H](C1CCCC1)C1CCC1	1971536266	DREAJCDFPLDMPB-IRXDYDNUSA-N	249.442	4.514	0	10	BJAE	
CC(C)CC1(CN[C@@H]2CCCC3(CCC3)C2)CC1	1971559073	OGOMOSGNZVNXNF-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCCN1C[C@H]1CCCC2(CC2)C1	1973162943	XUPVCRNTPSGNOT-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1973613038	MIOJQRSGFOCBSZ-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC(=O)c1csc(C(F)F)c1	1978583757	YXRGDAXGIAZXFZ-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CC[C@H](C)[C@H](C)CC(=O)c1ccc(Cl)cc1	1980685458	RPIFJQOKFRKHFV-WDEREUQCSA-N	238.758	4.595	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccccc1Cl	1988793655	BDDPRKVMWAOCSN-GFCCVEGCSA-N	237.774	4.887	0	10	BJAE	
C[C@H]1CC[C@H](CNc2cccc(Cl)c2)CC1	1989812713	SXNGAFRJDUYXBT-HAQNSBGRSA-N	237.774	4.578	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCC=C(C)C	1995205773	VLSPNUUALCKOHT-AWEZNQCLSA-N	224.388	4.908	0	10	BJAE	
CC[C@H](C)Cc1coc2c(C)cc(Cl)cc12	1995465314	ZYHKPWQOQUJGOS-VIFPVBQESA-N	236.742	4.983	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CC[C@@H](C)C1)NCCC	1996259350	GROZHTODIDERAY-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC[C@@](O)(CC[C@H]1CC1(C)C)C1CCCCC1	1996551142	AFBPOTWPRCBPBD-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(N)C1CCC(C)(C)CC1	1996593671	HOLVBQNVAOROKN-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H](C)CC(C)(C)C)CC1	1997105551	NMTFZYDBPDPRQZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCCc1ccc2nc(C)cc(Cl)c2c1	1997769477	ZIQIXIOFSIXGCY-UHFFFAOYSA-N	247.769	4.929	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@H]1CCCC(C)(C)C1	2000052913	YYEIRQJGCWOWRZ-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1(C)CCCCCC1	2000217656	AWDIHJYBMDBFHB-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)(CC)[C@@H](CC1CC(C)(C)C1)NC	2000335258	XOYOZNWKOHLDIL-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@@H](NCC)C2CCCCC2)CCC1	2000377674	YUQMKVKFGSZFBM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCCN(C[C@H](C)CC(C)C)CC1	2000905388	BIXCFPVXLSDNPX-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
CCCC1CCC([C@](C)(N)C[C@H](C)CC)CC1	2002924280	HKNQNAWRRIWOPY-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc([C@H](N)CCCCC(C)(C)C)c1	2003653820	MKWOZHANVJEGPG-OAHLLOKOSA-N	233.399	4.601	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)C1(C)CCCCCCC1	2004921365	VBYHSFCWMXGYOK-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCNC[C@@]1(CC(C)(C)C)CCCCC1(C)C	2005584809	ZIOSRQMWEVWWTB-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC1CCC(C)(C(=O)CC[C@H]2CC2(C)C)CC1	2007682197	WKRSCLSLYZCOQC-UYJPIKCFSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@@H]1CCCCC1(C)C	2007853423	LDYVQOJELDZYFD-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H]([C@@H]2CCCC(C)(C)C2)CC1	2009412134	VSMKRNOYQLJIGM-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@H](CCC1CCC1)NCCC	2009588153	IQTREABOCPSJSW-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(N)[C@@H](C)CC(C)C)CC1	2010741464	AUTGFTARMWWDCX-LZWOXQAQSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@@]1(C)CC=CCC1	2013267827	ULIWBESARNFWRU-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C[C@H](O)CC1CCCCC1)C(C)C	2015285587	XUQGNRSYSGDMOQ-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)[C@H](C)NCCC(C(C)C)C(C)C	2015356603	IAFUZRZSOLWXEN-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCC1(C[C@]2(O)CCCC[C@@H]2C(C)C)CCC1	2015596465	RJEGKEJFJSYXIK-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)C1(CC(C)C)CC1	2015750570	VGUNJWDPSCGMJH-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CC1(C(C)C)CCC1	2017119756	VWWGKTKWHSKMKC-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@H]1CC[C@H](C)CC1	2017719876	DJPCGDRGIRUZHZ-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCC[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017738862	PPHZHTHWQSSYON-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C)C(CC)CC)CC1	2019297800	PJORNMKMKBHGGU-SHTZXODSSA-N	239.447	4.713	0	10	BJAE	
C[C@H](C[C@](C)(O)C1(C)CCCCC1)C1CCC1	2019778194	JXGAFHYNSUHMRC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC1CC(CC)C1	2026168125	XTFZPGCHIDQCSC-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)C[C@H]1CC=CCC1	2027829253	AAYZNGXCEDWPLX-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1(CCC[C@@H](O)c2ccc(C3CC3)cc2)CC1	2027834052	SDXMMSITHLGWOI-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1cccc2ccccc12	2028253722	ZEZVHMHBAGBRHM-YOEHRIQHSA-N	241.378	4.522	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(C2(C)CC2)cc1	2028598804	UZFCZVXIBSMRIF-MRXNPFEDSA-N	245.410	4.708	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)c1coc(C)c1	2028632976	DUIKDPAGRPJZIR-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(CNC2CC2)CC=CCC1	2029835889	IFNMYKNDGMDJOC-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1CNCC[C@H](C)CCC	2029986161	YQPJEAGIIXIEDE-OAHLLOKOSA-N	247.426	4.555	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@]1(C)C=CCCC1	2030350687	BZDLVKCXARYBSX-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](c1ccc(C2CCCC2)cc1)C(C)(C)C	2031749082	FIKJNQROHIKESJ-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC(C)CCC(=O)c1ccc(C2CCCC2)cc1	2031751416	DFQZXAFXDOFCDS-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CNC[C@]1([C@@H]2C=CCCCCC2)CCCC1(C)C	2032111308	GZKIEDIFWKZFGX-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)C[C@H](C)c1ccccc1	2035495780	MMNJSNNCYGKXPO-UAGQMJEPSA-N	246.394	4.512	0	10	BJAE	
CCOc1ccccc1N[C@H](C)[C@@H](C)CC(C)C	2036382433	LTOUXBCMTZJYIF-UONOGXRCSA-N	249.398	4.568	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2CC3CCC2CC3)CCC1	2037136239	XBRLTIMFDCXVSE-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2nc([C@@H]3CCC[C@H](C)CC3)[nH]c12	2039377137	QALXDEVKPXLDPF-WCQYABFASA-N	242.366	4.555	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCCC1	2040652164	XMTMXLURERASSP-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCCN[C@H]1CCCC2(CCCCC2)C1	2040767304	PTZLJNJZSUPZPD-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C)CC1=CCCCC1	2043193183	XFVAZYISZMNYIV-UAGQMJEPSA-N	249.442	4.824	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C[C@@H](C)c1ccccc1	2045559621	AYPSWJQXBAZWTI-LSDHHAIUSA-N	246.394	4.822	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)CC1CC2(CC2)C1	2045993725	RKNMLKPTEYSGGW-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1(N)CC2(CCCCCC2)C1)C1CCC1	2046230752	XBOKTKJCJXOSLP-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@H]2CC23CCCCC3)C1	2047065464	NKSXKRQCLSPJRA-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C[C@H]1CCC12CCC2)CC1(C)CCCC1	2047929794	TVISMKKDILNLEM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(CC2CCCC2)CCC12CCC2	2047962025	MXCUODJCACJAOO-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)C2CC(C(C)(C)C)C2)C1	2048619866	VRVYFGCROLAFEW-WSYDAFBYSA-N	248.410	4.620	0	10	BJAE	
N[C@@H]1CCCCCCC[C@H]1C[C@H]1C=CCCCC1	2049702559	YJSIPBLRZUJPPE-YESZJQIVSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CCCC3(CC3)C2)C1	2049862683	YJQJKJHACSYYCQ-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc([C@@H](N)C[C@@H]2CCCC(C)(C)C2)c1	2050457407	BVAFPNLWORLBSW-HOCLYGCPSA-N	245.410	4.601	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1(C)CCC1	2052351903	KECONEIQGOGYQO-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)[C@@H](NC[C@H]2CCCC(C)(C)C2)CCC1	2055551354	GVMPLNFAKDBBTF-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H]2CCC23CCCCC3)CCC1	2055554010	DXZNVPUSPDTGAF-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CCC23CCCCC3)CCC1	2055554011	DXZNVPUSPDTGAF-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC(C)[C@H]1CCCC[C@H]1Nc1ccc(CF)cc1	2055678885	WKWBSLOIGRQWGS-HZPDHXFCSA-N	249.373	4.783	0	10	BJAE	
CC1(C[C@@H](N)CC2CC(C3CCC3)C2)CCCC1	2056640521	PXVIGJFOSLXUOP-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)[C@@H]1CCCC(C)(C)C1	2056875469	GZOZHWHLJWRVJK-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NC)C1CC2(C1)CC(C)(C)C2	2059253964	VXXIBSBPZARDHT-NFAHFFEMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H]1CCCCCC12CC2	2062017035	LUTOARJPUNCLGW-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
FCc1ccc(N[C@H]2CCCCCC23CC3)cc1	2062019366	INIWRCPXGBCMSV-HNNXBMFYSA-N	247.357	4.681	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)CCC3CCC3)C2)C1	2063211539	QSGOBYYZKKWLPR-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)cc(OCC23CCC(CC2)CC3)c1	2065286765	WIIXCFILOLUIRA-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CCCC1(CC(=O)c2ccc(C)c(C)c2)CCC1	2069281344	WDRVTCMBRXBJME-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
C[C@H](C1CCCC1)n1cc(C2CCCCC2)cn1	2070266813	SPZBFPJYVCRXBT-CYBMUJFWSA-N	246.398	4.682	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@H]1C)[C@]1(C)C=CCCC1	2070866150	CMYCDMFHRMVLTB-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(CN[C@H]2CC[C@H]2C2CCC2)CCC1	2071828853	CKNMAPXKOYRQOY-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@](O)(CC)c1ccccc1CCC	2073344516	DAOJJCSSNQHCEB-QGZVFWFLSA-N	248.410	4.817	0	10	BJAE	
CCCc1ccc(NC[C@@]23CCCC[C@H]2C3)cc1	2074047941	TWMZVJLIPFBOPY-RDJZCZTQSA-N	243.394	4.631	0	10	BJAE	
CCCC1(CC[C@@H](NC)c2ccccc2C)CC1	2074635388	BXPUDUQUQMJMEG-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)[C@@]1(C)C=CCC1	2074653740	RILHRTLEBWOYAR-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@@H](N2CCCCCCCCC2)CCCCC1	2074810965	SNRBIHBRWCTSIP-QGZVFWFLSA-N	249.442	4.922	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1c(C)cccc1F	2076041070	PARCGJAUFNFGLH-CSPWOOARSA-N	249.373	4.531	0	10	BJAE	
CC(C)=C(F)CN[C@H](CC(C)C)c1ccccc1	2076365008	ZUJGYXZLMPOMKL-MRXNPFEDSA-N	249.373	4.627	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1C[C@H]2CC[C@H]1C21CC1	2078340727	RJULYFAJWYCHLW-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
c1ccc(NC[C@@H]2C[C@H]2C2CCCCCC2)cc1	2079446051	HMWBKXSLKKLLRE-RDJZCZTQSA-N	243.394	4.705	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@H]1C[C@@H]1CCC	2079448200	ULTWRWMXRVAYIO-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN[C@@H]1CCCCC12CCCC2	2079449406	CFFIZNXUTCTNIR-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1cccc(CC(C)C)c1	2079473268	KALMYAGGTMYPKK-HOCLYGCPSA-N	244.378	4.504	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1ccccc1C(C)(C)C	2079654777	DPHUJAVNLGTEQC-ZIAGYGMSSA-N	245.410	4.832	0	10	BJAE	
Cc1c(F)ccc(C(=O)CC2(C)CCCC2)c1C	2083330845	TYUSYLAYWHJJES-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CC1(CCC=C2CCCNC23CCCCC3)CC1	2083813314	AEKDWXRZFORLRR-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1CC[C@@H](CCCCCCC2CC2)[C@H](O)C1	2213580030	JCLKOAXUEVIEBN-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)c(CC=Cc2ccccc2)c1	2213821328	CGUWDQJNJBADAG-UHFFFAOYSA-N	242.749	4.904	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CC2(C)CC(C)(C)C2)C1	2215430109	CPZMSFRUYDBDNB-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@]1(C)CC=C(C)CC1	2215822672	ADYYZIHSKATBEH-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)CCCCC1CC1	2220039673	RJRWFPNDLDBRDQ-SJORKVTESA-N	246.394	4.512	0	10	BJAE	
Fc1cccc2ccn(CCCCCC3CC3)c12	2220311965	DXXSKCBOJWVGRA-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
CC(C)c1cc(N[C@@]2(C)CCCC2(C)C)ccn1	2220880167	CCCQXMJJDSUBCT-INIZCTEOSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)C1(C)CCC2(CC2)CC1	2220882093	WBONULUJVIGFNL-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)c1c(C)cc(C)cc1C	2220962529	RHMYGLHWBXYDTA-HUUCEWRRSA-N	244.378	4.621	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@H](N)c1ccc(C(C)C)cc1	2220964141	VMIPEWLXEMCZDN-XKQJLSEDSA-N	245.410	4.636	0	10	BJAE	
Cc1cccc([C@@H](O)CC2(C)CC(C)(C)C2)c1C	2221003128	MMPLKXNPFVQAFC-HNNXBMFYSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CCC(N)(CC2(C)CC3(CCC3)C2)CC1	2221042181	WMWHICWDJYFMRQ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](C)(NC[C@H](C)C2CCCCC2)CC1	2221600826	KWWCOMOTUNNTPW-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CC2(C(C)C)CCC2)CC1	2221621857	GJMFOJYSIAXFGN-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
CN[C@H]([C@H]1CCC(C)(C)C1)[C@]1(C)CC=C(C)CC1	2221629132	YOBJIYWLYTZRPM-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@](O)(CC)c1c(C)cc(C)cc1C	2222006410	LTSFBASDQKWBEL-QGZVFWFLSA-N	248.410	4.790	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](C=C2CCC2)NCC)CC1	2222299739	XOJGNUCWHDTYMH-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CC(=O)c1csc(C2CC2)c1	2243500599	MAHMPNDXKWCCPZ-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC1(C)CC(C)C1	2246555213	CCOWURBXZQTDOI-PCKAHOCUSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](C(=O)CCCC[C@@H]1C[C@H]1C)C(C)C	2247166810	VLTBSVKUVYOUOM-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CCc1cc(Cl)ccc1-c1cc(C)ccc1O	2248356230	IVBYLQFPFAOMNT-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
CCCCC[C@H](N)c1cc(C)c2sccc2c1	2248578316	MTLQSDVSOMJWNR-AWEZNQCLSA-N	247.407	4.790	0	10	BJAE	
CCC(C)(C)CN(C)CCCCC[C@@H]1C[C@@H]1C	2248842494	QPALNVFQIKWMMG-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@](F)(CN)CC[C@@H](C)CCCC(C)C	2250527700	JUKPAEKKVGIZNE-GJZGRUSLSA-N	245.426	4.696	0	10	BJAE	
CC(C)(C)CC1CC(CC[C@@H](O)C(C)(C)C)C1	2251584343	CPLLBQNIBWYELA-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(CCC2CCC2)C1	2251660562	VQURTGLNFVJAEV-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)c1ccc2ccsc2c1	2253082391	PNCVDIPJMHMHOB-ZYHUDNBSSA-N	244.359	4.520	0	10	BJAE	
CC(=CC[C@H]1CCC[C@@H](C)C1)[C@H]1CC[C@H](N)CC1	2253932307	BBDYLWRAFONTJC-MWQQHZPXSA-N	249.442	4.667	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H]2C[C@H]2C(C)C)cc1	2256229723	FTNSVYVRTJIUQB-CVEARBPZSA-N	244.378	4.504	0	10	BJAE	
Cc1cccc(C)c1OCCCCC[C@H]1C[C@@H]1C	2257245888	CNPOUFIGFSOZSU-HOTGVXAUSA-N	246.394	4.899	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cccc(C(C)(C)C)c1	2259431785	XSDUAVQTXOKMAG-CJNGLKHVSA-N	247.426	4.810	0	10	BJAE	
CC(C)(C)CC1CC(N)(C[C@@]23CCC[C@H]2CC3)C1	2260645887	KDEYXVRBIQONEX-BYLPVYNFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NCc1cccc(C(C)(C)C)c1)C(C)C	2261409005	NZOLCNFGYZXZIJ-MRXNPFEDSA-N	247.426	4.508	0	10	BJAE	
CC1(C)CC[C@@H]1Nc1cc(C2CC2)ccc1Cl	2300673875	NQKVSAQOKGYYDD-AWEZNQCLSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC)CCCC[C@H]1C	2300685902	KCULGIPCSUBFHY-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@]1(N)CC[C@H]2CCCC[C@H]21	2300706984	WOSXYFQTFPCYFI-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCNCC(C)(C)C1CCCCC1	2300859946	AXRILDSVHFILNI-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1C[C@H]2CCC[C@H]1CC2	2301023918	QWMBGYVRSBYMJO-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@@H](C)[C@@H](C)C(C)C	2301968519	RKRHGEJQBBYWLL-GJZGRUSLSA-N	241.463	4.814	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)CCCC1CC1	2302341340	WCTSASNGCHXLDF-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CN[C@@H](CCCCC1CC1)[C@H](C)CCC(C)C	2302571229	IMBWYBQGBUAJFM-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC)C[C@@H]1CCC(C)=C(C)C1	2303595452	UFRGISSHUYMJMA-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC[C@H]1CCC(C)=C(C)C1	2303597586	RQFLESVVZZBLJW-MAZHCROVSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)CCC(C)(C)C2)C1	2304435166	MQBKHYDONWSGGI-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCC(C)(C)C1)CC1CC1	2304435248	HPSGIWQXZLRACR-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)C1CCCCC1	2307895699	WRMVVXDUCPRINL-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(C)(C)[C@@H]1NCC	2307899250	BGTRTDKSZSLEGL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)[C@@]12CCCC[C@H]1CCC2	2310428770	SPPZXXSUSXGJML-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@@H]1C[C@H]1C1CCCCC1	2311512177	QXNSTNNWPZMQHV-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)[C@@H]1C[C@H]1C1CCCCC1	2311525491	SWHIKHAQDNDTTF-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@]1(C)CC1(C)C	2315888047	PHZYBKBMBGRJJC-KRWDZBQOSA-N	245.410	4.967	0	10	BJAE	
Cc1ccc(C(C)C)c2c3c([nH]c12)C[C@@H]1CC[C@H]31	2316174117	CQXAUYYSZWUKIT-AAEUAGOBSA-N	239.362	4.649	0	10	BJAE	
CCC(CC)CCn1ccnc1C1CCCCC1	2316276269	WGGQUVIPMKHGJE-UHFFFAOYSA-N	248.414	4.757	0	10	BJAE	
CCC(C)=CC[C@@]1(CNCC(C)C)CC=CCC1	2316490326	KEHWRTXNQOBEJG-QGZVFWFLSA-N	249.442	4.705	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1=O	2317007222	LSYSOASEUKVSDJ-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)[C@@H](C)[C@@H](C)C(C)C	2317827056	IZLCPBVLBVQRIX-ZOBUZTSGSA-N	247.426	4.574	0	10	BJAE	
OC[C@]1(CCCC2=CCCCC2)CCC12CCC2	2318539689	HKPVMSNGHRMYRE-KRWDZBQOSA-N	248.410	4.600	0	10	BJAE	
OC1(CCCC2=CCCCC2)[C@H]2CCC[C@H]1CC2	2318545205	GOPHBBACSCPIEN-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
C1=C(CCCN2CCC[C@@H]3CCC[C@H]32)CCCC1	2318576523	QAYNLHSOWXVADD-DLBZAZTESA-N	247.426	4.532	0	10	BJAE	
CNC[C@@H]1CCCC[C@@H]1CCCC1=CCCCC1	2318591859	CMTKJYAFRCLFKJ-SJORKVTESA-N	249.442	4.683	0	10	BJAE	
CCCCCc1ccc(C(=O)C[C@@H]2C[C@@H]2CC)o1	2320363927	LUQBEWKBNVXSCN-STQMWFEESA-N	248.366	4.631	0	10	BJAE	
CNC[C@@]1([C@H]2CCC(C)(C)C2)CCC(C)=C(C)C1	2320402869	WNWXMLALGACREU-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H](C)C2CCCCC2)CC1	2320414809	UWXYBZMCUXJCAA-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@H]2C2CCC2)CC1	2320415672	CLKJHTBUHLVZPG-VNQPRFMTSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@H]2CCC23CCC3)C1	2321605236	JWWFKGHXKWRVBI-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(CN)CC23CCCC3)C1	2321623087	VFMJCZTVLBJDRH-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2CCC23CCC3)C1	2321636465	IXPVWMAMVDVJJY-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCCCCCc1ccc([C@H](C)CC(C)=O)cc1	2327904941	GKBCQFKHYDYNMA-CQSZACIVSA-N	246.394	4.892	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1c(C)cc(C)cc1C	2328214040	UHDUAWJJWAIPPV-HOTGVXAUSA-N	248.410	4.862	0	10	BJAE	
Cc1c(C)c(=S)c(=S)c2c3ccccc3c1-2	35052097	LQIWCFQYSQQZEP-UHFFFAOYSA-N	242.368	4.896	0	10	BJAE	
C[C@@H](c1cccc(Br)c1)C(C)(C)C	60297227	ZOHGNDMBMDOEPK-VIFPVBQESA-N	241.172	4.599	0	10	BJAE	
Cc1cc(N[C@H](C)c2ccccc2C)ccc1F	61117546	FPKDHYVRKOGSNO-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCCc1ccc2oc(C3CCCC3)nc2c1	62533919	OZNPZBJJPPFWHW-UHFFFAOYSA-N	243.350	4.828	0	10	BJAE	
CCCC[C@@H](CC)CCCCNC(C)(C)C	70743571	GWDWYRPIXCMEIJ-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)c1ccc(C(C)C)cc1	71163483	MPPVQICDXNFURD-NVXWUHKLSA-N	246.394	4.598	0	10	BJAE	
CSc1ccc(N[C@@H]2CC[C@@H](C)C[C@H]2C)cc1	85084084	CEVCLCOFCBNBCA-LALPHHSUSA-N	249.423	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Oc1ccc(C)cc1C	85154978	LYDSSQKDJJDOAX-HOCLYGCPSA-N	232.367	4.651	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC2(C)C)cc1Cl	86855657	DCQXKAOJZVQRGN-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C2CCCCCC2)cc1C	87946569	JZPNQRJRGAHTOV-KRWDZBQOSA-N	246.394	4.616	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](O)CC(C)(C)C)cc1	90484663	ZKEWWVLWNGOLRF-OAHLLOKOSA-N	248.410	4.844	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC[C@@H]1NCCC	103947437	VZZTUWMLRQDWIT-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC/C=C\C[C@H](C)c1cc(C)cc(C)c1	107483167	RQPYQOUCULAHOB-AFNCTOJWSA-N	202.341	4.763	0	10	BJAE	
CC/C=C\C[C@H](CCC)c1cccs1	107595121	IKALKZHVPBMDLF-FJOGCWAESA-N	208.370	4.988	0	10	BJAE	
CCC[C@@H]1CNc2ccc([C@@H](C)CC)cc2C1	109608923	INQRVIKSDKKPSV-STQMWFEESA-N	231.383	4.584	0	10	BJAE	
CCCCC[C@@H](C)NCC(C)(C)c1ccccc1	109918773	HMSJVUIZBZNZIP-OAHLLOKOSA-N	247.426	4.523	0	10	BJAE	
CCCCC1CCC([C@@H](O)CCC2CC2)CC1	127065502	HLGTVKMPKRFPNZ-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CCC1CCCCCC1)NCC	128632711	APRLVEAZQAHVER-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
Cc1cccc(N[C@H](C)c2cc(C)cc(C)c2)c1	132388326	OCCDYPWMSXLBHH-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CCc1cccc([C@H](O)CCC2CCCCC2)c1	132878756	WZMOJVARHIVNLI-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CCCC/C=C\c1cc(Br)cs1	148752105	SBEBWQQIXDXYDQ-WAYWQWQTSA-N	245.185	4.714	0	10	BJAE	
CCC(CC)[C@@H]1CCCC[C@@H]1CNC(C)(C)C	155681977	MQZDHKWTMFGDIP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCCC[C@@H]1CNCC	155784281	TWZLWIYAKBEARF-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
N[C@H](CC1CCCCC1)C1CCCCCCC1	158994814	VXDPOWVVRFBVHZ-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H](C)c1cccc(C)c1	160159221	HSNJSOITKHCJKG-LXZKKBNFSA-N	247.426	4.860	0	10	BJAE	
CC(C)(C)CC[C@@](C)(CNC(C)(C)C)C1CC1	164237497	IUBUQWLHMKUZSJ-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C1CCC(C)CC1)[C@@H](C)CCC	167922613	UDHIQZKNTCWHAD-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
O=C(c1cccc(C2CCC2)c1)C1CCCCC1	168856099	RKQBIJUVMFFMGE-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](CC)CCC1=O	217619147	FLGDPIGFCNHSME-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@@H](C)[C@@H](C)C1	220641313	UAUYAJXIXOZBTN-FXUDXRNXSA-N	239.447	4.760	0	10	BJAE	
CC(C)(F)C1(c2ccccc2F)CCCCC1	220741323	ZRGJPIVHPNAAQF-UHFFFAOYSA-N	238.321	4.776	0	10	BJAE	
CC(C)CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1O	221682686	OIDKWEXSAXOGMN-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](CC)CCC	226002664	QFCBGNKZDVSZDS-KGLIPLIRSA-N	213.409	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@]2(N)CCCC(C)(C)CC2)C1	226512627	HJYLJWBWKFOFPT-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC(=O)c1ccc(NCCCCC(C)C)cc1	232865773	HJPUMTZZFTUHOT-UHFFFAOYSA-N	247.382	4.518	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@H]1CC1(C)C	233574024	SOQXHNNVJNPUFH-HZPDHXFCSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H](F)c1ccc(-c2ccccc2)cc1	260667180	XJJSCOBXMLWTHE-OAHLLOKOSA-N	214.283	4.774	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)[C@H]1C[C@H]2C=C[C@H]1C2	300691411	UHHKWUKEHKCAFO-QUSNUVHPSA-N	249.442	4.536	0	10	BJAE	
CN[C@H](CCC1CCCCC1)CC1=CCCCC1	302239000	CJMUCCKTJBEFMI-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C[C@H](C)CC(C)C	302373644	OWFACMHCKNLNAY-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)c1ccccc1OCCCCCF	302542861	UDFHZUNQLAAACD-UHFFFAOYSA-N	238.346	4.503	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1CCCc2ccccc2C1=O	302552809	KHVQTSJPVWUHBJ-DZGCQCFKSA-N	244.378	4.504	0	10	BJAE	
CC(C)C[C@H](C)CC1(N)CCC(C(C)C)CC1	306016513	XQKBQRAMIVKNOZ-FHERZECASA-N	239.447	4.602	0	10	BJAE	
CCc1cc(SC)c(Cl)c2ccsc12	307490508	GXHBCHPFODJRHC-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CSc1cc(C)c(Cl)c2sccc12	307666654	DYNRLHXMMHNKLA-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCCc1ccc([C@H](O)[C@@H](CC)CC(C)C)cc1	308034195	RHKYBZOYNPIEMA-DOTOQJQBSA-N	248.410	4.745	0	10	BJAE	
CCC(CC)[C@H](C)NC[C@H](C)C1CCCCC1	310203041	BEXMZKXMBCJSPN-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@H](N)CC2CCCCCC2)CCCC1	383759034	LCTSGYAUEUUHHP-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CCCC[C@@]1(O)C[C@@H](C)C1CCCCC1	383846269	LCWARHOFXREHME-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)[C@H]1CC[C@H](CC)CC1	393285551	ABEYRJQYRMPLHV-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(O)(C[C@H](C)c2ccccc2)CC1	395227473	AXNRCLYUXKLLDZ-UQPPLGOBSA-N	246.394	4.512	0	10	BJAE	
CSc1cc2cc(C)c(C(F)F)cc2s1	396402354	GQMUHUAQFHNJAT-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@@H](NCCC1=CCCCC1)[C@H]1CC1(C)C	397605893	BAXPBNBJRBDMBX-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@](O)(CC)[C@H]1CC1(C)C	397632418	VXKUVKYWQGTPQM-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)c1ccccc1C(C)C	401554913	KFKZYQGIXNKRCV-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCCC1CC1)NCC	405753017	SIXZHZYZMQWTMO-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CC1(CNCC)CC(C)C1	691408266	XHSZDEREYBEVAR-HWOWSKLDSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C1CC2(CCC2)C1	691958729	CPJIUFUHCQDAOP-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCNCC1(CC2CC=CC2)CCC(C)(C)CC1	692146199	QVFDGPZORFRYRV-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)c1sccc1C	695096728	CTSKLPBWGHWWLR-NWDGAFQWSA-N	239.428	4.532	0	10	BJAE	
CCC(C)(C)CC/C(C)=C/CCNC(C)(C)C	696802344	KCVOGLZGRMNABK-GXDHUFHOSA-N	239.447	4.927	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCC[C@@H](CC(C)C)C1	701047320	FPAQWSGMRLSCLQ-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@](C)(N)c1cc2ccccc2s1	704506625	HQJMFTLGDNPILF-OAHLLOKOSA-N	247.407	4.656	0	10	BJAE	
CC[C@](N)(CC1CCC(C)CC1)C1CCCC1	704915292	SFTCZIREVHXRIV-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H](C)CC(C)C	704954159	DNPUHMUYORRAHN-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@@H]([C@@]2(N)CCC23CCCCC3)CC[C@H]1C	705264955	ILEFZGPQVZAWSP-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@]1(C)CC1(C)C	705301395	PETTWVRULKAVJU-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)C[C@H](C)CC(C)(C)C	709080644	AGHSDYPEIJZYKN-ZNMIVQPWSA-N	241.463	4.848	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C23CCC(CC2)CC3)C1	710264829	ZTCRADHIIPWWMS-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@@H](C)CCC(C)(C)C)c(C)cc1N	710743563	USSIELPUQNYPAR-ZDUSSCGKSA-N	248.414	4.512	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@H](C)C(C)(C)C	710744424	JJIYXRUOSKIBCG-JSGCOSHPSA-N	228.420	4.636	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@@H]2CCCC[C@@H]21	712375502	FBYATXQUJJWEOU-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H]3CCCC[C@@H]32)c(Cl)c1	712390397	PTKVOZSXZZBKRZ-SLEUVZQESA-N	249.785	4.639	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)C[C@H]3CCCC[C@H]32)CC1	712416365	NJLIMDRGZBWEMY-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1([C@H](N)C2CC3(CCC3)C2)CCCC1	717563120	NBVUFBCRDLTPBN-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CCC(C)=C(C)C	718638343	WTEUAJCXISCFKQ-HOTGVXAUSA-N	240.431	4.946	0	10	BJAE	
CC(C)=C(C)CCCc1cc(C)cc(C)c1	718778206	RXGLBWYBUDIVNO-UHFFFAOYSA-N	216.368	4.982	0	10	BJAE	
CCCN[C@H](c1cc(C)ccc1C)C1(C)CCC1	720711086	YCTZYENTPFEACN-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC3(CC3)C2)cc1C	723568296	IUBCJKQKYLOBJR-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
c1csc(SC[C@H]2CC3CCC2CC3)c1	1472977794	GHHHTPMQNJGEJT-HTAVTVPLSA-N	238.421	4.667	0	10	BJAE	
CCC[C@H](NC[C@@H]1CCC[C@H](C)C1)C(C)(C)C	1645702260	DHUCJWGHNYYBDW-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1CSCC1CCCC1	1653128670	GZZXEFWFBHTQFR-UHFFFAOYSA-N	234.408	4.672	0	10	BJAE	
CC[C@H]1CCCN(C[C@H](C)CC(C)(C)C)CC1	1653361003	YHOLVAZTZBVFSD-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
C/C=C/CCCCC[C@@H](C)C(F)(F)F	1888885155	WPIIPYRJGYOCPL-HMDXOVGESA-N	208.267	4.711	0	10	BJAE	
CCCc1ccc(-c2ccsc2C)s1	1889520112	YPGQXGBLUKIRLT-UHFFFAOYSA-N	222.378	4.738	0	10	BJAE	
CCC(CC)CCC(=O)CCC[C@H]1C[C@@H]1C	1902185537	OQADWTGMTQIXGJ-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CC)CCC[C@@H](CC)CCC	1905446161	TUCQSAKCAGJVBQ-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](CCC(C)=C(C)C)NCC	1910623665	AARHDFKFUKOLHO-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@]1(N)CCCCCC1(C)C	1910822456	SMWVERAJTFSEPT-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC)[C@@H]1CCC2(CCCCC2)C1	1915907359	FKQYEIJFTNOVMO-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1CC[C@@H]2C[C@@H]2C1	1917352304	VTPPIMXEIWIYGJ-MCIONIFRSA-N	243.394	4.585	0	10	BJAE	
CC(C)C1(N)CCCCCCCCCCC1	1920489709	GROBHVOPNBFBGR-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CC1CCC(C[C@@H](N)[C@@H]2CCCC23CCC3)CC1	1921587287	VJBICDYCRBRUST-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@](C)(CO)C2CCCC2)CCCCC1	1923897264	QIHCXVIGTJTNLY-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)C[C@@H]1C=CCCCC1	1925796227	DYANWWPNXBTZOQ-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cccc(C2CCC2)c1	1926381344	AIRJODPLMSZDDA-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CC1(CC(=O)C(C)(C)C(C)(C)C)CCCCC1	1940385307	QHLKOYCNFLWJCM-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H]([C@@H](CC)C(C)C)[C@H](C)CC(C)C	1941271017	AXVAWOHYBRALTR-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](O)CCCCCC1CC1	1941577453	ZLBLCEBWCFHYMQ-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CCCCCC2CC2)C1	1941584718	BJJJJPSYPGVRHL-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CCCCCC1CC1	1941591611	MVXFLWONZZTOMO-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)CCC(C)C)C(C)(C)C	1942658332	GVDZVQKQIWAGGR-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C[C@@H](O)[C@@H](C)CCC(C)C)C(C)(C)C	1942662920	YHQRAQNKYBMDBE-RRFJBIMHSA-N	242.447	4.882	0	10	BJAE	
CCCc1ccccc1O[C@@H](C)CCC(C)C	1942663675	UMDUSNDHLLKMRC-AWEZNQCLSA-N	234.383	4.843	0	10	BJAE	
CCCCCC[C@]1(O)CC(C)(C)CC2(CC2)C1	1943082874	YPFDSQWAQMBSPG-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCCCNC[C@H]1CCC(C)(C)C1	1945592547	NDKBHKKVXIMGDQ-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1cccc2sccc12	1945947143	IKUGXHXOFQGVQE-CYBMUJFWSA-N	248.391	4.761	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)CC(C)(C)CC	1947575624	ITKLXOMSHJEGDO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1CC12CCCC2	1948072024	OWVVXEOEFWXUFC-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCCC(F)(F)CC1	1948168775	JLNZCVHPDCMAOZ-OLZOCXBDSA-N	247.373	4.513	0	10	BJAE	
CCCNCC1([C@H](C)CCC)CC(C)(CC)C1	1948412952	KODFDVUXNCYQQD-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	1948584325	DBWYUYZNKGMJPB-PMPSAXMXSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@@](C)(N)c1csc2ccccc12	1949075775	LKQBGKYLBCJPDD-OAHLLOKOSA-N	247.407	4.656	0	10	BJAE	
CC(C)(C)NCCC[C@@H]1CCC2(CCCC2)C1	1949552535	RWYPIXJBKOETBT-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@H](CC(=O)CC2CCCC2)CC[C@H]1C	1949861354	FBMYBTANFFWGCH-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CN1c2ccccc2C[C@H]1C	1968232582	KGUAWOQILUEHHG-CABCVRRESA-N	245.410	4.654	0	10	BJAE	
CSc1ccc(N[C@H]2CC[C@@H]2CC(C)C)cc1	1968457433	ZSROJQFVILRWIE-DOMZBBRYSA-N	249.423	4.645	0	10	BJAE	
Cc1cccc(NCC2C[C@H](C)C[C@@H](C)C2)c1F	1969472543	YDRPMYMBDYOKPS-VXGBXAGGSA-N	249.373	4.618	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@H]2CCC3(CCC3)C2)CC1	1969974294	UNLHPTKBQKZJLU-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](NCC1(CC2CC2)CC1)C1CCCCC1	1972207767	BTWACZSRIRWUFD-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@@H]1CCCCC12CCC2	1972828982	GXQGYPYTVYLFJW-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)[C@@]23CCCC[C@@H]2C3)C1	1973100885	WKGHGUIGKAOQPU-CPUCHLNUSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@H](C)CCC(C)C	1978451692	NSEINXXDXVWSBA-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CC[C@H](C)CC1	1980313889	GJOOHRYBDFLJBB-MQMHXKEQSA-N	222.372	4.518	0	10	BJAE	
CC=CCCCCC(=O)c1ccc(Cl)cc1	1984590959	IYBGFKDHECRFOE-UHFFFAOYSA-N	236.742	4.659	0	10	BJAE	
C/C=C/CCCC(=O)c1cscc1C(F)F	1984593598	RLULSZGHUNMUOQ-NSCUHMNNSA-N	244.306	4.615	0	10	BJAE	
CCCC1(C[C@](C)(N)CCC(C)C)CCC1	1988466775	NCNBMUFQUKMUOH-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)[C@H](CC(C)C)NCC	1990093800	OROAXCUNZGTGQA-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)c2ccsc2)C1	1994027041	WOSDFIFYSFWZRW-NSHDSACASA-N	236.380	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@]2(C)CCCC[C@@H]2C)C1	1995645690	TWYLLXOBUABTTI-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)[C@@H](C)CCC(C)C	1996614316	BNVUFPDGEMJIAN-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](C)[C@H]1CCCC2(CCCCC2)C1	1996648374	YWZKASQQCWVOSM-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CCC=CCCC1)NC	1999997216	WHJIAEPBOMCVFQ-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@](C)(CNC)C[C@@H](C)CC(C)(C)C	2000510327	OKNSZOMDVPUWQJ-GOEBONIOSA-N	241.463	4.865	0	10	BJAE	
CC(C)[C@H](C)[C@@]1(N)CCCCC12CCCCC2	2001560637	FUFQPXRRHBAXGK-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCCCN[C@@H]1CCCCC12CCCCC2	2001597833	XYTRLDFGAHTFEG-OAHLLOKOSA-N	237.431	4.659	0	10	BJAE	
CCCC[C@@H](CC1CCC2(CC1)CC2)NCC	2003217505	KHZSTMFSIFRMNG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](c1ccsc1)[C@@]1(C)C=CCCC1	2003320664	IXEMFJBTSOAYCG-CABCVRRESA-N	249.423	4.535	0	10	BJAE	
CCC1(CC)CCC(N)([C@@H]2CC[C@@H](C)C2)CC1	2004340458	AOVSRVDSRTZOMD-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H](C)C2CCC2)CC1	2004346191	JWUXMELWPVOTFP-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CCC[C@@H]1C(C)C	2007616003	OERRYJNIKIGFOJ-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCC1CC2(CCC(N)CC2)C1	2007728417	CPOPBQUHOGUVBM-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1CC(C[C@@](C)(O)CCC(C)(C)C)C1	2007757051	QGLXDAAJBLKGCR-XUJLQICISA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC(CC)CC)[C@H]1CC	2009250599	XYQINHYWRSBGOC-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1CC(N)(C[C@H](C)C(C)(C)C)C1	2009792300	XHIUGKHDGGWXRL-HLIUYOAVSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC[C@]12CCC[C@H]1C2	2011023589	ZPNKKMAXCSYFQJ-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)CN(C)CC[C@@H]1CC1(C)C	2011180555	GAXGJQPHEIXRSH-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCC(C)(C)CC[C@H]1C[C@H](N)CC2(CCC2)C1	2012056506	HMMKUMMXTVXCJM-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@](CC)(CCC=C(C)C)C(C)C	2012413800	VFXRXFJICRVGCA-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CCNC[C@@](CC)(C(C)C)C1CCCCCC1	2012414722	YRXPBULJHRMRGR-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)[C@H](C)CC(C)C	2013265101	SXCCFYVQQMUNGH-BZUAXINKSA-N	241.463	4.862	0	10	BJAE	
CC[C@H](CCC(C)C)NCCC1=CCCCC1	2013265376	WEBROTXSKLFURC-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1C[C@@H]2CC[C@@H]2C1	2015201460	WZCAXLUDBJYUDQ-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(O)CCCC[C@H]1C(C)(C)C	2015284606	PDVWAPSEGOBMKI-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@@H](N)C(C)(C)C(C)(C)C)CCC1	2015645376	SVKXJDWRNWNBMJ-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(=O)c1csc2ccccc12	2016440704	ASSTWARLGWNEGO-ZUZCIYMTSA-N	244.359	4.520	0	10	BJAE	
CCCC1CCC(C[C@@]2(O)CCC[C@H]2C)CC1	2017647520	GFHBOFQAGFTLNU-LMPOIIKSSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)C(CC)CC	2019005056	AGCONMGTMQJSFR-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CN(C)[C@H]1CCC[C@@H](CC)CC1	2019292757	BOUQKTKLYPVYTJ-XHSDSOJGSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H](C)C1CCC1	2019858741	NLVSMCBFWDGISA-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCN(CCCC1(C)CC1)C1CCCCCC1	2020501429	LLDQYFLNWZUBCG-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCCN(C1CCC1)[C@H]1CCCC[C@@H]1CC	2020635392	LTMCJBHBYXFOOS-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H]1CCC[C@H](CC)C1	2020964264	GHOTZQOMJWGDKT-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@](C)(N)C2CCCC2)C1	2024095484	RFRSFWSGXIHYCQ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](CC2(O)CCCCCC2)C1	2024127953	IPYJAJYTIQTNJB-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@H](C(C)C)C1	2025574766	MJVWGYPPXRREDP-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCc1ccccc1[C@H](O)CC1(C)CCCCC1	2027312772	YUTDSRXBPZJUIL-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CC1CC(C)(C)C1	2027519117	ZHQBUUGARJZSHO-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CC(C)CCC[C@@]1(CNC2CC2)CC=CC[C@H]1C	2027925855	IHLYZGICYAVGRP-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C(=O)c1ccccc1C1CCC1)C(C)C	2028258789	VLKIPNXUUOZYFF-CQSZACIVSA-N	244.378	4.819	0	10	BJAE	
C[C@H]1CCCC[C@H]1NCC1(C2CCCCC2)CC1	2029745153	URBRXTPCUUVOBX-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1C[C@@H](C)c2ccccc21	2029967901	WYXXSYKVNSHVOG-JJRVBVJISA-N	245.410	4.651	0	10	BJAE	
CCN[C@H](CCC1CC1)[C@]12CCCC[C@@H]1CCC2	2031761518	URGWRWBTNQLDRX-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)CC[C@H]1C[C@H]1C1CC1)C1CCCC1	2032305142	DOWDCDJKSOTQMU-ZFWWWQNUSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](CNC2(C3CCCC3)CCC2)C1	2033048205	HWYFSTARTAGPKK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CC[C@H](C)[C@H]1C(C)C	2035413616	VPPFLGAQJNEVLB-NILFDRSVSA-N	249.373	4.617	0	10	BJAE	
Cc1coc(C)c1C(=O)C[C@H](C)C1CCCCC1	2035531022	CGAGMIDWJKRKRB-NSHDSACASA-N	248.366	4.686	0	10	BJAE	
CC1(C)CC(C[C@]2(N)C[C@H]3CCCC[C@]3(C)C2)C1	2036661832	SEYMWKVHVUILCZ-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C	2037170877	VNEWRFXKZLOMQQ-IVSAIRAKSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1CC1CCCCC1	2037221882	ATVFEUXCUMAJHQ-CJNGLKHVSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@@H]1CC[C@H]([C@@H]2CCC3(CCCC3)C2)C1	2037700891	WYSLWQWAHRQUDF-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC1CC2(CCC(C)(C)CC2)C1)C1CCC1	2038932535	FFMRVSMWXJRAGH-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@H](N)C1=CCCCCCC1	2039433157	AEMNEZJVIQWIJZ-DJIMGWMZSA-N	247.426	4.587	0	10	BJAE	
CCN[C@@H](c1cc(C)ccc1C)C1(CC)CCC1	2039720374	RGFMZGWXTJMOMJ-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1C)C1(CC)CCC1	2039720952	YMHCEBIHUISYKL-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
C[C@H]1CC[C@H](CC2(CN)CC3(CCCCC3)C2)C1	2040182456	QCKHYBZTQLTCBV-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](Nc1ccc(F)cc1)C1CCC(C)(C)CC1	2040639703	XCQDBHDZIREQEV-GFCCVEGCSA-N	249.373	4.843	0	10	BJAE	
CC[C@](N)(C1=CCCCC1)C1CCC(C)(C)CC1	2040647842	PPPOWCRZZRODFW-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)C[C@H]1CCC=CCCC1	2045305131	MIDYEASZSQXBBT-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
N[C@@]1(C[C@@H]2CCC=CCCC2)CC12CCCCC2	2045317039	IRYIMWNAXKYFGD-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
Cc1ccc([C@H](O)C[C@@H]2CCC=CCCC2)cc1	2045334818	LVWCZWQLEDSTIQ-NVXWUHKLSA-N	244.378	4.555	0	10	BJAE	
CCC[C@](C)(CNC1CC1)CC1CC2(CCC2)C1	2046001233	YVAKVQYSERPRKJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCN(CCC[C@H]1CC1(C)C)c1cccc(C)c1	2046570687	KRDRRZFRIUQDJW-HNNXBMFYSA-N	245.410	4.648	0	10	BJAE	
C[C@@H]1C[C@H](CC2(CF)CCC2)Nc2ccccc21	2046907856	GSXPUJLEVBTHAP-CHWSQXEVSA-N	247.357	4.504	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@@H]1CC(C)=C[C@@H](C)C1	2046910118	CRLIMDJIALVWCW-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C[C@H]1CC12CCCCC2)c1cccc(N)c1	2047020372	PDKJDYAPFIWEHL-ZFWWWQNUSA-N	243.394	4.733	0	10	BJAE	
CCN(C[C@H]1CC12CCCCC2)C1CCCCC1	2047035137	BDLJIQFMIZBSIK-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C[C@H](Nc1ccc(F)cc1)[C@@H]1CCCC(C)(C)C1	2049527601	DCDYDUOIZSPAEF-QWHCGFSZSA-N	249.373	4.843	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)[C@@H]2CCC3(CCCC3)C2)CC1	2049687514	UPYRVHKUSYLLNS-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CN(C[C@H]1C=CCCCC1)C1CCCCCCC1	2049782930	ORURFZINNVMOJK-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2CCC3(CC3)C2)CCCCC1	2049848621	KKXRZSMBVXUPPV-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
C1CCC(CCN2CCCC[C@@H]2C2CCCC2)C1	2051670171	AHXHDKRMHXAKED-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CCCCC2)C1(C)CCC1	2052350280	XXHGOLGXTALOOE-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CNC[C@]1(C[C@H]2CC=CCC2)CCCCC1(C)C	2053397748	PGLYWTOEUVJKOJ-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)[C@@H]1CCCCC12CC2	2053414065	WUFWMNHUPNAZLR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C1CCCC1)[C@H]1CCCCC12CCC2	2053419967	IBAYMZBUYVXAGH-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1NC[C@@H]1CCCCC12CC2	2053434344	QUJWGHIJJXFHNS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(C(=O)C2(C)CCC(C)CC2)c1	2056535999	LYTCUPRCCVELBY-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCC[C@]1(CC2CC(C3CC3)C2)CCCCCN1	2056647220	ZMDHJCYMYFHFBU-BDVYOWHSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1NCC1(C2CC2)CCCC1	2057605067	YTLDOTZAGKOMBS-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](CC(C1CC1)C1CC1)NCC	2059268009	UURDUYRCBVQMGC-WMHVBEDNSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)C2(C)CCCCC2)CC1	2061082726	XJQGDPPZLWZKBD-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC=C(C2(O)CCC3(CCC3)CC2)CC1	2061083463	CFRLESWCALWPHX-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C(C)(C)C)CC1)C1CC1	2061096548	VVNKAJLRRVJOMO-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC1CC([C@](C)(N)C2=CC[C@H](C(C)(C)C)CC2)C1	2061116420	PWOYCBWLPAONIQ-ZNCQXSQZSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CC=C(C2(N)C[C@H](C)C[C@@H](C)C2)CC1	2061123182	VSFCURPZMPGUSP-RBSFLKMASA-N	249.442	4.523	0	10	BJAE	
CCC1(C)CCC(N)(CC[C@]23CCC[C@@H]2C3)CC1	2061613489	AIGBSRFDZQXHEC-GYXIZQIFSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@H](N)CC2CC(=C3CCC3)C2)CCCC1	2061733869	GZQGURZYEDYAIY-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
O[C@@]1(C[C@@H]2C=CCCCC2)CCCCCC12CC2	2062032699	VSFHCSNBPWWEJL-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@H](N)CC2C[C@@H]3CCC[C@H]3C2)CCCC1	2063489896	GYWALCPYYBWAHM-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC([C@](C)(N)C3CCCCC3)C2)C1	2063792866	MDSJSEOWRVRNRQ-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C12CCCC1CCC2	2063831202	TWVJKMFFCHNTBY-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2C[C@@H]3CC[C@H]3C2)C1	2068707706	LEGKDGMEPWFYQZ-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
Cc1cc([C@@H](N)C[C@H](C)C2CCCCC2)oc1C	2068908309	CNYSQJOWBYNDRY-WFASDCNBSA-N	249.398	4.503	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@@H]3CCCC[C@H]32)CCC1	2069342268	NGYQSDBXTAWCTA-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCC1CC1)C1(CC2CC2)CCC1	2069511055	JSSSCEUCRDZETL-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](Nc1ccc2ccccc2c1)C(F)F	2069614674	LBHBTMBJJNKVDS-AWEZNQCLSA-N	249.304	4.686	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)c2cccc(C)c2)CC1	2072703075	VFSJRNPASQUMAG-SHTZXODSSA-N	244.378	4.784	0	10	BJAE	
CCC1CCC(CC2(N)CC3(C2)CC3(C)C)CC1	2072798723	MBWREIWFSJCYIV-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C=C2CCN[C@@H]2C(C)(C)C)CC1	2072808947	KBQYDLZRICQNSD-XUJLQICISA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@]2(N)C=CCCC2(C)C)CC1	2072815997	RBFLTIILGSUCEU-VMBOVVBDSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@H](CC)Nc1cccc(C2CC2)n1	2073294327	NAHRTXAWYZLDJA-AWEZNQCLSA-N	246.398	4.730	0	10	BJAE	
CCCCC[C@H](CC)Nc1cc(OC)ccc1C	2073347679	SWXYMJKUUKRSDS-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@]12CCCC[C@@H]1C2	2074029782	PMEIVPPNXAKYQE-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H]2Nc3ccccc3C[C@@H]2C)CC1	2074635770	GLHJXEITRMTTTD-XJKSGUPXSA-N	243.394	4.630	0	10	BJAE	
CCN(C1CCCCC1)[C@H]1CCC12CCCCC2	2075012184	GPGXFMFRSSVBJB-INIZCTEOSA-N	249.442	4.754	0	10	BJAE	
CCc1cc(NC[C@H]2C[C@@H]2C(C)(C)C)ccc1C	2079617779	BIQCXYBPBGXDCI-ZBFHGGJFSA-N	245.410	4.652	0	10	BJAE	
CCCNC[C@@]1([C@H]2C=CCC2)CCCC(C)(C)C1	2081681671	CARWGKZYJVQZLQ-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@](C)(O)CCCCCCC1CC1	2210527335	QHHXXSCOJNMUFQ-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
Nc1ccccc1C=CCCCCCC1CC1	2213578595	NWGHPNFEMULYLJ-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
CCCC[C@@](CC)(CCCCC1CC1)C(=O)O	2214544374	GSDAXCHXFSXJCX-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CCC1([C@@H](O)CC2(C)CC(C)(C)C2)CCCC1	2215392507	FWMMMNGUHVRGOB-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@]1(C)CC=C(C)CC1	2215814841	RPRTZQNKHYZLEE-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@@H](N)CCCCCCCC1CC1	2216876513	DHHKLTDCGOSPPM-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(N)(CCCCCCCC2CC2)C1	2216882897	DKWIJLQKOYDTSB-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@H](C)[C@H](C)CC	2217127936	JCETYIMPAWGEIX-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)CC1(CN[C@H](C)CC)CC=CC1	2217130778	UBHSZQIDXZWHAL-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@H]1CCc2cc(C)ccc2N1	2217467508	FORUZVURLHRKMD-CQSZACIVSA-N	231.383	4.548	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@@H]1CCCC12CCC2	2220030172	JONFBBCETLCOJN-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CN[C@H](C)C(=C2CCC(C(C)(C)C)CC2)C1	2220367941	HLFNBWJLAWQXJA-HCYNLOQUSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC[C@H]2CC[C@H]2C)cc1	2220601117	VIQFKZPRDONPMY-JKIFEVAISA-N	245.410	4.507	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)c1cccc(C(C)(C)C)c1	2220641081	ZNXLBYJHZBKGIZ-CHWSQXEVSA-N	244.378	4.603	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1ccccc1C1CCC1	2220922435	BABVWESBBZOGAS-UKRRQHHQSA-N	243.394	4.802	0	10	BJAE	
CCC[C@H](NC[C@H]1CC=C(C)CC1)[C@@H]1CC1(C)C	2221660955	DDCXHSNIUIWJIP-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](CC)Nc1c(C)cc(O)cc1C	2223342934	FKYZGJDJNOFFOM-CQSZACIVSA-N	249.398	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCC[C@]2(C)C2CCC2)C1	2223850757	OCGWIXYJNMEBNN-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
O=C(c1ccc2occc2c1)C1CCCCCC1	2224143382	YPEPNCGKFRRSCF-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)c1ccc2occc2c1	2224148238	CKAPAMIYZZBFII-NHYWBVRUSA-N	245.366	4.505	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)c1ccc2occc2c1	2224168883	XKLSEKFSTZTHCV-BLLLJJGKSA-N	245.366	4.520	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@@](C)(N)C2CCCC2)C1	2246681029	UFOVIWFEHSUGEF-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CCCC23CC3)s1	2247667845	YMROTYDSFWLPPW-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCC1(C)CC(N)(CCCCC[C@H]2C[C@H]2C)C1	2248812438	ACSRCMGRVGZPNJ-QVOMUQBLSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CC(C)C1)C(C)(C)CC	2251755105	LOPMLDKOIIBLSE-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC1CC(CC[C@H](N)CC2(C)CCCCC2)C1	2251759779	STOUUSCWHITEBB-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCc1ccc(C(=O)CC[C@H]2CCC[C@@H](C)C2)o1	2253933312	WZNWLLFGYKMLSM-CHWSQXEVSA-N	248.366	4.631	0	10	BJAE	
CCCC1CC([C@H](N)CC2CC3(CCCC3)C2)C1	2254113410	JJSFNICCQCMAHI-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C(=O)CC[C@H]2CCCC23CC3)CCC1	2255313943	WBYZBZXBRNRXPY-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CCCC1([C@@H](N)CC2CC3(CC(C)C3)C2)CCC1	2259537973	CEWQERRGQRBHCC-UFFJXHMVSA-N	249.442	4.501	0	10	BJAE	
CC(=O)c1cccn1CC[C@@H](C)CCCC(C)C	2259677230	BEIYWWBGXOOKPM-AWEZNQCLSA-N	249.398	4.543	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@]23CCC[C@@H]2CC3)CC1	2260583690	QBVIRGXNJDKQAK-HYVNUMGLSA-N	246.394	4.662	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)C[C@H]2CC23CCC3)C1	2261183105	ZIGKIUUMGMMGCP-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H](C)C(C)C	2300458449	JJNBDLJEJJPKSG-CQSZACIVSA-N	233.399	4.822	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC(C(C)C)C(C)C	2300499778	AZVGFRQRADCKCT-MRXNPFEDSA-N	241.463	4.848	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](CCC(CC)CC)NCC	2300675192	BTVUKGXGFKTYBS-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](O)C12CCC(CC1)CC2	2300685641	HNLPNQCKSVBSPC-PCKAHOCUSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@H]1CC[C@H]1CNC(C)(C)C	2300702251	WNPMXPKPHPQRIB-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)Nc1cc(F)ccc1C(F)F	2300827382	YXBZKQCIAJFVIN-VIFPVBQESA-N	245.288	4.610	0	10	BJAE	
CC(=CC[C@@H]1C[C@H](C)C[C@H]1O)CCCC(C)C	2300862639	GQMGLWVQWVFBIH-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
CCC(C)=CCN[C@H]1CCC[C@H](C(C)C)CC1	2300867310	KGJUUKBMPRYETM-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc2c1ccn2[C@H](C)[C@H](C)C(C)C	2301831054	BBXPTERAIFZITK-ZIAGYGMSSA-N	229.367	4.803	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H]1CCCCCCCC1=O	2301835278	FBKDGWAZBBQXRG-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H](C)CC1CC1	2301907295	IERUCFVFKQLMGX-NSHDSACASA-N	235.346	4.550	0	10	BJAE	
CCC[C@H](C)CNc1cc(F)ccc1C(C)C	2301907382	JBXZEPYMLAVQAV-LBPRGKRZSA-N	237.362	4.797	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N[C@@]1(C)CCCCC1(C)C	2301962665	VLSXFWXUOBQOGH-LZWOXQAQSA-N	239.447	4.616	0	10	BJAE	
CCc1cscc1N[C@@H]1CCCCCC12CC2	2302887997	SROKZAPDILMDRL-CQSZACIVSA-N	249.423	4.835	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@H]1CCC(C)(C)C1	2302904536	JOXBFMQVYBMLGO-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](N)(CC1CC1)C1CC1	2303742334	RHZMNCPGHKJYFN-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNCC)CCC[C@@H]1C	2307762898	GUCPXDWINIZWHQ-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)CC1(CN)CCC2(CC2)CC1	2307823693	PIJNACIJOFVIEN-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)C1CC2(CCC2)C1	2307870825	ANZOGGVSXUFEBD-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@H]1CCCC12CC2	2307894288	QTZFELREEOTXGT-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H]1CCC[C@@H]2C[C@H]12	2308619019	YSMAKDVJVNYVAI-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCC1CC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309182828	WZXLMKJFHSHJCI-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(CC=C(C)C)c(O)c(C(C)(C)C)c1	2309479373	FFWNGHUYCDVIOB-UHFFFAOYSA-N	246.394	4.761	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@]12CCCC[C@@H]1C2	2311127556	PNBJPXODUQRFKG-KTGDWTQYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C[C@@H]1C[C@H]1C1CCCC1)c1ccc(N)cc1	2311579396	ZLCHKPJLMWETGY-MJEQTWJJSA-N	243.394	4.589	0	10	BJAE	
Cc1cccc2c1N[C@@H](CCC[C@H]1C[C@H]1C)CC2	2312665294	LUHRJSQXUHRQCW-KBMXLJTQSA-N	243.394	4.548	0	10	BJAE	
C[C@H]1CCCC[C@@]1(C)NC[C@@]12CCCC[C@@H]1CC2	2313324860	DOJRZYKGPUEGKG-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](C)CC(N)(C[C@@]23CCCC[C@@H]2CC3)C1	2313345208	FRSSKUGDQCTSQJ-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
COc1ccc(C)c(N[C@H](C)CCCC(C)C)c1	2313564608	WGEQLYJNZPEBTE-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
C[C@H]1CCN([C@H](C)CC2CCC2)c2ccccc21	2313654527	KEWMUALQOMVIAQ-UONOGXRCSA-N	243.394	4.579	0	10	BJAE	
CCC(CC)CC[C@H](NC)c1cc(C)ccc1C	2316247877	JJYARNQOEGHEEO-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCCn1ccnc1CC=C(C)CCCC(C)C	2316566431	XZDXYWYGUWSCDZ-UHFFFAOYSA-N	248.414	4.608	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317190663	VIEBGMMBVVIPKX-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@H](C)[C@@H](C)C(C)C)cc1	2317821576	WIVYEPPORIQOQB-VBQJREDUSA-N	247.426	4.567	0	10	BJAE	
CCCc1ccccc1[C@H](N)[C@@H](C)[C@H](C)C(C)C	2317823076	GTOCQDUVHXFIFH-JKIFEVAISA-N	247.426	4.567	0	10	BJAE	
C[C@@H]1[C@@H](N[C@@H]2CCCCC23CCCC3)CC1(C)C	2318184096	RJKHIIVHAFSEMV-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC(=CC=C[C@@]1(C)CCCCN1)CCCC(C)C	2318819877	LTUJOEJSQSCYQT-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
C(CCC[C@@H]1C[C@H]2CCC[C@H]2CN1)CCC1CC1	2319120592	FJSZCVXHXUKYHL-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320224399	PYXIRVVNRHYIFS-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(F)c(NC[C@@H]2CC[C@H]2C(C)(C)C)c1	2320255380	NPMLVEIGVYLMFD-QWHCGFSZSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@H](CNC2[C@@H](C)CCC[C@@H]2C)CC1	2320268995	WAGBRVYBSAZVPS-OFQRWUPVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N(C[C@H]2CCC(C)=C(C)C2)C1	2320346489	FSSOIFRSIJSGSQ-BBWFWOEESA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)CC2CCCCC2)CC1	2320396653	IXHZMDRGRZPOBL-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H](C)c2cccc(C)c2)CC1	2320410810	AVASFJOQQWLKIJ-DOTOQJQBSA-N	243.394	4.535	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@H]2CC(C)(C)[C@H]2C)c1	2320522133	XHIPBYNPHPCFLI-MAZHCROVSA-N	246.394	4.526	0	10	BJAE	
CC=C(C)[C@@H](NCCC)c1cccc(C(C)C)c1	2320526502	BFQMJHGIIXYCDI-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CC1(C)CC[C@H](CC[C@](N)(C2CCC2)C2CC2)C1	2321642691	QLBSQCBBKPOZCI-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C=C1C[C@H]2CC[C@H]1C[C@]2(C)N)CC	2327759247	JGOIDSKBBBVPEK-DIECFANBSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C[C@H]3CCC[C@H]32)c1F	2327808551	XUIKYVROWLQQOH-UXIGCNINSA-N	247.357	4.550	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)CCCc1ccccc1	2328281634	IYDQPPGCAZWIQY-WBVHZDCISA-N	247.426	4.553	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cc(C)ccc1F	20471605	BYXLLKXIZUCLRF-YPMHNXCESA-N	237.362	4.761	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@H](C)CCCC(C)C	21809694	OUJXCCWNVMAJHE-CVEARBPZSA-N	247.426	4.860	0	10	BJAE	
O=C1CC[C@H](c2ccc(C3CCCCC3)cc2)C1	77391159	KKRNLXVHDPLSRP-INIZCTEOSA-N	242.362	4.571	0	10	BJAE	
Cc1ccc(Cl)cc1Nc1ccc(F)cc1	82715801	CGVRBOGWCDFPPC-UHFFFAOYSA-N	235.689	4.531	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)CCC(C)(C)C)[C@H](N)C1	85156339	OWHRGWGGDUMWSQ-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(F)cc2)CC1	86893864	DXXNIRPCKKXUDT-GXTWGEPZSA-N	235.346	4.597	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C2CCCCC2)CC1	86938523	BERUAXCHMAMJQS-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCCC1CCC(C(=O)c2ccccc2C)CC1	87959216	ZWKRADRZZXEJOZ-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CC[C@H](Nc1c(C)cccc1Cl)c1ccco1	90496830	IKRIOQWGIJYTSR-LBPRGKRZSA-N	249.741	4.805	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1ccc2ccccc2c1	109742438	LFGYRPWAUYUSAV-DYVFJYSZSA-N	241.378	4.666	0	10	BJAE	
CCCc1ccc([C@H](N)C2CCCCCC2)cc1	110198206	ZZSSOAZEYUPLTR-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2	113653753	IIPRZFWOSCKSIM-UHFFFAOYSA-N	237.346	4.686	0	10	BJAE	
CCCCCC[C@@H](CCC1CCCC1)NC	124807019	SZYBNOCSQLLXCC-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2ncc(C(C)C)s2)C1	132190262	OWWRDIRNVYBXSV-NWDGAFQWSA-N	237.412	4.950	0	10	BJAE	
CCCc1ccc([C@@H](C)CCNC(C)(C)C)cc1	132687347	MANLKVGIWKHHEU-AWEZNQCLSA-N	247.426	4.521	0	10	BJAE	
CCCC1CCC(/C=C/Br)CC1	139467710	UBZWTPZJGSQWHY-CMDGGOBGSA-N	231.177	4.502	0	10	BJAE	
Clc1ccccc1OCCC1CCCCC1	148486920	IIISWAUWAYKVQB-UHFFFAOYSA-N	238.758	4.689	0	10	BJAE	
CCCN[C@@H](CCC1CCCCCC1)C1CC1	149446113	YVEFEKXANRRHOS-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
S=c1[nH]c(-c2csc3ccccc23)cs1	150158677	DUIUHYUEVZDXEO-UHFFFAOYSA-N	249.385	4.687	0	10	BJAE	
CCCC[C@@H]1C[C@H](CCC)CC[C@@H]1CNCC	156123400	VMFFNMSWSRPOCQ-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCc1cccc([C@H](CC(C)(C)C)NCC)c1	157897897	ZMZQIDUSNCUZMS-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCCCCC(=O)C1(CC(C)C)CCCC1	164759023	JGDWSIOHONIKPP-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCN[C@H](c1cc(C)cc(C)c1)[C@H](C)C(C)C	229475378	VCFIXQFRGMJUNR-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H](CC(C)C)C1)C(C)C	230770476	CIBWLVWLNJJJIV-XHSDSOJGSA-N	239.447	4.616	0	10	BJAE	
CCCNC[C@@H](c1ccccc1C)[C@H](C)CCC	233085434	MHVBTPHHLATBJJ-RHSMWYFYSA-N	247.426	4.514	0	10	BJAE	
CCC[C@@H](CC)N[C@H](CC)C1CCCCC1	233288426	OKRYWFIKJUAEJS-HUUCEWRRSA-N	225.420	4.514	0	10	BJAE	
CC(C)n1c([C@@H](C)C#N)cc2ccc(Cl)cc21	259962374	HRYZJBLFQUWTSP-JTQLQIEISA-N	246.741	4.503	0	10	BJAE	
CCc1ccccc1[C@H](C[C@@H](C)CC(C)C)NC	302328884	KNJGTLZYUDSVBA-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
Fc1cc2ccsc2c(Cl)c1C(F)F	306914106	QMTHGBQWMZARAC-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1c(S)sc2c(Cl)cccc12	307427870	HEAIRAMRSVFIJB-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)C2CCCCCC2)C1	310556596	YPHKZIRLRIEXJB-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)c1cccc(C)c1	311009661	XCFWFASITYSMKG-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
Cc1ccc(Cl)c([C@H](N)CC2=CCCCC2)c1	313417002	MOKDFOJVVKJMKH-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
C/C=C/C[C@]1(CNC(C)C)CCC[C@H](CC)C1	317813193	BFFSWQXLKJKVON-MCXNIAKKSA-N	237.431	4.537	0	10	BJAE	
C/C=C\CC1(CNC(C)(C)C)CCC(C)CC1	318013242	WVWSNMBYUIYPFB-SREVYHEPSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@]1(CCC1CCCC1)CNC1CC1	318494947	DHTYAPQGDJBSRW-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(CCC(C)(C)C)CC[C@H](C)C1	319296860	ODJXWBXWUACWOI-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)C1(CNCC(C)C)CCCCCC1	319784141	VPCYNVCXLSVXEG-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1N[C@H]1CCCC12CCCC2	328273718	OBDLTRHOJKXGCW-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1(CC)CCC1)NCC	380107475	YUXIPHJWVQDJNK-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N)cc1-c1ccc2ccccc2c1C	384695385	JFIBGZQCLUFGIO-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@@H]1C=CCCCCC1	385399463	LLEWBNWKOXJAOQ-IKGGRYGDSA-N	249.442	4.680	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)CCC2=CCCCC2)CC1	385755051	DNUFXNGBSLSTOH-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NCCCC1CCCCC1	395214497	LSZSPUBLSHNVDM-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](Nc1c(C)cc(C)cc1C)C1CCCC1	395683993	PGGSAZHSKOVCJH-INIZCTEOSA-N	245.410	4.993	0	10	BJAE	
CCc1cc2sc(S)cc2cc1C(F)F	396235702	GMXDDVFLOCROGV-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCOc1cc2scc(C(F)F)c2cc1C	396238069	IUFAAUSVXFXRAI-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1sc2cccc(C)c2c1C(F)F	396402872	HOLXMTNAOWANBO-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1CC=CCC1)NCC	402322630	LFHBJSQOSYHBBY-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1CC[C@@H]2C[C@@H]2C1	403119199	MYWTYLNSROMXAB-KFWWJZLASA-N	244.378	4.625	0	10	BJAE	
CCCC1(CNc2cccc(CC)c2)CCC1	687523793	KTEOAJURRDIVPS-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CC[C@@H](C)SC2)cc1	689403659	WPRJFFGSYNCQEB-DOMZBBRYSA-N	249.423	4.506	0	10	BJAE	
CCC[C@@H](C)CNc1ccc(CC)c(Cl)c1	691250005	DHTYLJAGIPAYJK-LLVKDONJSA-N	239.790	4.751	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1CC=CC1)NCC	692062309	SJIPHAAABMKJGC-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)CCC(C)(C)C	696809507	WWAZABFIXYUDBH-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc(C2CCC2)cc1	697196061	XZHOPFBYXKSKGO-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCN[C@H](CCCCF)[C@@H](C)CC(C)(C)C	708295664	DWRHKDHCZABXPC-UONOGXRCSA-N	245.426	4.567	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)CCC1=CCCCC1	708298116	VGTWYJDQMHCRAB-HIFRSBDPSA-N	237.431	4.667	0	10	BJAE	
C[C@@H](C[C@H](N)C1(C)CCCCC1)CC(C)(C)C	709099828	CYDKKBGFIOHLEI-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
Cc1c(F)cccc1NC[C@@H](C)CC(C)(C)C	709103479	OZDACQYGZZUDBO-NSHDSACASA-N	237.362	4.618	0	10	BJAE	
C[C@](O)(C1=CCCCCCC1)[C@@]12CCCC[C@H]1C2	709257421	WXKAMDZWGRIVCW-YESZJQIVSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CCC[C@@H](C(C)C)CC1	713242276	IHBKSGBQIFAOCG-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)CC[C@@H]1C[C@@H](C)CC	717466323	QSIYNTDPKGGWCN-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)CC1(C)CC1	718503076	BBDQUXSVFZUPGQ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H](C)C(C)(C)C	718527422	MOICVBYXDBBVTF-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cscc1C(F)F	720230584	QTYMKVDFSOHBTB-GZMMTYOYSA-N	247.354	4.512	0	10	BJAE	
CC(C)[C@@H](C)SCC[C@H]1CCC[C@@H](C)C1	1613581177	CEMQFAWRNMTUKQ-MGPQQGTHSA-N	228.445	4.981	0	10	BJAE	
CCC1(CC)CCC(NCCCC(C)C)CC1	1656707573	LFMQSYPNPHFOEH-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(-c2cccc(F)c2Cl)cs1	1889509927	OGBLJIUGWSFXMU-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
Cc1cc(-c2cc(Cl)sc2C)cs1	1889518747	NNZLFWZIHPIZDE-UHFFFAOYSA-N	228.769	4.747	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@H](C)CC1CCC1	1899454869	VISOUDVDMSCQLF-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CCC(CC)CC	1900718998	WYWIBKNSXUWADR-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C(C)(C)CC	1900840528	OEBOTMUPRSUSFE-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1ccc(Cl)c(F)c1	1901626472	PPCAHTXDZWYIHL-NXEZZACHSA-N	243.753	4.572	0	10	BJAE	
CCc1cscc1N[C@H]1CC[C@@H](C(C)C)C1	1902382408	WGRNLRAFXFEMKR-OLZOCXBDSA-N	237.412	4.547	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H](C)CC(C)(C)C	1905454552	SLZDJYWUIWKELZ-RDBSUJKOSA-N	228.420	4.636	0	10	BJAE	
CC(C)(C)CCC=C1CCC[C@@H]1[C@H]1CCCCN1	1911841391	OJIOLTNQXWTMCY-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(N)CCC2(CCCCC2)C1	1915901023	BROMRTPSXXZYKW-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@H](N[C@H]1CCC2(CCCCC2)C1)C1CC1	1915921537	DBKLSCVLRYMIPI-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(C[C@]2(N)CCC3(CCCC3)C2)CC1	1916435863	GJCDPNHHWRAERH-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(CNC2CC2)C=CCCC1	1916614152	AJIATAWZJQVHDT-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@](C)(N)CC(C)(C)CC	1920190595	OTQOXRLIEZHPPT-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CCC1CCCCC1	1920201569	HQERSVCKHCXMCU-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@](N)(CC[C@@H]1CC1(C)C)C1CCCC1	1921566118	YPWSLQUYPYFUDK-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](CC[C@@H]1CC1(C)C)NC	1921566569	CAWGASLRIUPYME-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@H]2CCCC23CCC3)C1	1921610826	PRAUYLPSJSHSNR-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H]1CCCC12CCC2	1921642457	GEFJUGQCUSFWRX-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@H](C)C1CCCC1	1923914806	YQUIXBKKLKDBIU-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@@H](C)C1CCCC1	1924077158	ZCCDLSFLYMKLEP-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)CCCC1(C)CC1	1924118585	JDISYGJEDNCBGM-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H](C)C2CCCC2)C1	1924139688	RYDVQSGHCDPLAD-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H](C)C1CCCCC1	1924141665	JDRRKXDMYOVPOP-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCc1cccc(C[C@H]2C=CCCCC2)c1	1925815091	SJOABNBSPMARFW-HNNXBMFYSA-N	214.352	4.538	0	10	BJAE	
CCC(CC)CCNCC1CCCCCCC1	1926159760	OSCFZJNTFCZAOF-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1ccccc1C(C)C	1940624016	BXRPZYXGHBSOIL-STQMWFEESA-N	232.367	4.675	0	10	BJAE	
Cc1cccc(OCc2ccc(Cl)c(C)c2)c1	1941822960	FDNPAYUGZVMBNG-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
Cc1ccc(Cl)c(NC2CC(C3CCC3)C2)c1	1942145788	LMADELQJIVIGFW-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@](C)(N)CC(C)(C)C)C1	1944201850	FQAVIFIBZUNLNV-ORIJERBGSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C)Nc1cccc(C2(C)CC2)c1	1944600128	MHWFAYPUKPXXSR-ZDUSSCGKSA-N	231.383	4.585	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@H]1CCC[C@@H]1C)C(C)(C)C	1944834802	ZFNNHBPOMLXHOA-GBJTYRQASA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)[C@H]1CCC(C)(C)C1	1945578843	KDJDSOAKNFJAEH-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCC(C)(C)C1	1945579702	RFCUTIQLCCVWLS-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CC(C)=CCCCc1cc2ccccc2cn1	1946082395	YCDOXTCSQUPSJT-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
Cc1cccc(N[C@@H](C)[C@H](C)CC(C)C)c1F	1948329135	YKSASJHJPWQRQZ-OLZOCXBDSA-N	237.362	4.617	0	10	BJAE	
CC1(C)CC(C[C@@H](N)CCCCCC2CC2)C1	1949733706	LMYYPCGSQGIXQU-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CC1CC1)C[C@@H](C)C1CCCCC1	1950111123	LOLMXPSCBOXWTG-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@@H]1CC12CCCCC2	1950641128	LGFIGRNQFHVHRJ-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2CC2(C)C)CC1	1950918845	LPSIKQAXOSELAZ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@H]1CCC[C@H](C)CC1	1950924984	PDWYGCBZMPVIIM-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1CN1CCCCC1(C)C	1962885812	AUHLIXNZAUMVGE-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
Cc1ccc(N(C)C[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1	1964110382	URJAGOKHIHNYJR-ZSHCYNCHSA-N	245.410	4.504	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N[C@@H]2CCCC23CCCC3)C1	1967700237	VWHJGEMUSLJYOV-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1CC(NC[C@H]2CCC=CCCC2)C1	1967815249	QJALZNWGXGPRNN-FHERZECASA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2CCCC(C)(C)C2)c1	1968307146	FBBFBKUSRWUJSX-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
CCC(C)(C)CCOc1cccc2c1CCCC2	1968651989	NSHCFCCSMGHBLH-UHFFFAOYSA-N	246.394	4.771	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]2CCC[C@H]2C1	1970682031	ZAEXLSMVJGSYDD-NNXHMXCWSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@@H]1CCCC2(CC2)C1	1972153111	AZLVBUMGHIIWMI-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](C)(CC=CCl)CNC(C)(C)C	1978656413	VHDXDOWAVPOOMW-AWEZNQCLSA-N	245.838	4.714	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CCC23CCC3)n1	1979522964	OAZKATFLDOPJGC-QWRGUYRKSA-N	235.396	4.704	0	10	BJAE	
CCC[C@H](C)CC[C@@H](N)c1cccc(Cl)c1	1980685999	YGJMQTXMAOTTGG-SMDDNHRTSA-N	239.790	4.556	0	10	BJAE	
CC(C)=C(C)CCc1cnc2sccc2c1	1985255503	UVCUFNRMHXECFI-UHFFFAOYSA-N	231.364	4.585	0	10	BJAE	
CC[C@](O)(CCC(C)C)[C@H](C)CCC(C)C	1986944752	SYTUPISJPAAPKU-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
CCCCCc1ccc([C@H](O)[C@@H](C)CC)s1	1991772605	RVYNWVHFUWCRRW-SMDDNHRTSA-N	240.412	4.560	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CCCC(C)(C)C	1993592291	OEPRDVNJXDRKPX-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](C=C(C)C)NCC	1995261626	GLIGJKAFVPAFOM-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)C12CCC(CC1)C2	1995988615	PIUSLCUQWLHATL-QVOMUQBLSA-N	237.431	4.514	0	10	BJAE	
OC1(CC[C@@H]2CCC=CCCC2)CCCCC1	2000011775	PQFFZKLZXBGLDQ-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2000215520	WPCYMQWDLCWBQZ-WDNDVIMCSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CCCC(C)(F)F	2000312747	NAAXEQRAGCEWFN-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC(F)(F)CCC[C@@H]1CCCCCCC[C@@H]1O	2003112183	RUXUZLYCBIKOKF-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@H]1CCC2(CC2)C1	2003208333	MLJVZKHBFSIZRT-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@]2(CN)CCCCC2(C)C)CCCC1	2005590156	SUPYBURYQGFJSO-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@H](CC(CC)CC)C1	2006622701	GAEPYDKFQLECFO-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@H]1CCC[C@H]1C	2006727740	RLFOXDUURHZBCO-DOMZBBRYSA-N	232.367	4.686	0	10	BJAE	
CCC[C@H](CC)NCC1(C)CCC(C)(C)CC1	2007681427	KWUDSSOOUZRXIX-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)CCCC(C)C	2007934093	GPPCULWBSVFCSN-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@@H](O)c1cccc2ccsc12	2009591549	JUICMBJAXUFGRK-CQSZACIVSA-N	246.375	4.681	0	10	BJAE	
C/C=C/CCCC[C@@H]1CCOc2ccccc21	2009593693	QPFFRWCCXASDPB-BAABZTOOSA-N	230.351	4.689	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H](C)C(C)(C)C	2009630892	YHQDPLUWUKDFPM-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCC(C)(C)C2)C1	2009715287	CCIZIUAVDSZLGF-SLTAFYQDSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CCC[C@]12CCC[C@@H]1C2)NCC	2011023315	ZJSXGGSGBLOROI-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CC[C@](CNC(C)(C)C)(C(C)C)[C@H](C)C(C)C	2012418881	IKINXOIFOLMHGZ-ZBFHGGJFSA-N	241.463	4.719	0	10	BJAE	
CC[C@](CNC(C)(C)C)(C(C)C)C1CCCC1	2012440137	NQVCGTFZRWSGTI-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCc1cc(C)ccc1C(F)(F)F	2012468957	MQVDQCCXTIMKJV-UHFFFAOYSA-N	242.284	4.913	0	10	BJAE	
CCCCCC[C@H](N)CC12CCC(CC1)CC2	2012816190	DIKSDMQTWFAIJO-PCKAHOCUSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@@H]1CCC(C)(C)C1	2013271205	PPVCDXJBVPZUHD-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCC2(CCC2)C1	2013271610	UKINBKJZTXHJGR-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@@H](C)C1(C)CCCC1	2014387748	POEPCEORQBEADI-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC(C(C)C)C(C)C)C1	2015396909	GKENDCLQKYTZIX-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C[C@@H](O)C1(C)CCCCCCC1	2016307865	NTZXAACFJGAWEK-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)c1cccc2ccsc12	2016449116	MKEPVJSMNSUOAL-MEBBXXQBSA-N	244.359	4.520	0	10	BJAE	
CCC(C)(C)C1CCC(O)(C(C)=C(C)C)CC1	2017484490	MRBMOZQUSHJKDY-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCCNC[C@@H](C)C[C@H]1CC[C@H](CCC)CC1	2017729510	XJARCYAGZQJJRR-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(N)CC(C)C)CC1	2017730259	FWSLDVRXLXEWIS-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2CC[C@H](CC)CC2)CC1	2017732236	ZLHCXLUNBSRQIU-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)NC1CC[C@H]2C[C@@H]2CC1	2018132906	YFKYEAUYEKNGDP-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)CC1(CC)CC1	2018999189	JMUXSHBNKHYRGP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1(CCC)CC1)NCC	2018999897	NJISVPNOGFAWGK-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1(CCC)CC1)NC	2019000240	PGDQYYLZCCRIGW-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@@H]1C[C@@H]1CCC	2022456667	HZSXQKFWAUKVTH-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@@](CC)(CC=C1CCC1)CNCC	2023260163	DFRXTWHBKHGCAS-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CCCC[C@@H](CC)N(C)CCCCC(C)(F)F	2023441052	JLHJWYVDQACXRT-CYBMUJFWSA-N	249.389	4.713	0	10	BJAE	
CC1(C)CCC[C@@H](CCC[C@H](N)C(C)(C)C)C1	2024092443	RCVHMUQTOVAQHQ-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC(C)(CNCCC[C@H]1CC1(C)C)C1=CCCC1	2027855574	PVWCGEOYPLSTFK-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@H]1C[C@H]2CCCC[C@@H]21	2028785519	DMIAANIPUAVIIK-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2CCC=CCC2)C1	2028874167	MFOINMIYJAFHEZ-ZBFHGGJFSA-N	248.410	4.908	0	10	BJAE	
CC(C)NCC1(CC2CCC=CCC2)CCCC1	2028874681	VYNJXDAMSWUNBV-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@H]1C[C@@H]2CC[C@@H]2C1	2029079063	SYRVGGVWCKMPDR-SCAQPMJSSA-N	241.378	4.555	0	10	BJAE	
C[C@H](CNc1cccc(C2(C)CC2)c1)C1CCC1	2032247938	ZRFPKLYDBIVWPU-CYBMUJFWSA-N	243.394	4.586	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H]2CC[C@@H](C)C2)cc1	2033399251	AJNNCPYBRFPUMA-CZUORRHYSA-N	244.378	4.648	0	10	BJAE	
O[C@]1(C[C@@H]2C=CCCC2)CCCC12CCCCC2	2035586288	BDFRSKQMTMWZKD-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)Nc1ccc2c(c1)CCC2	2036381621	GXTHBTKPDFTWIY-KBPBESRZSA-N	245.410	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@H]2CC(C)=C[C@@H](C)C2)C1	2037045187	RFFMVTDNYGMVGY-ZUOZUFPHSA-N	249.442	4.523	0	10	BJAE	
CCC1(C[C@@](N)(CC)c2cccc(C)c2)CCC1	2037103673	RNZWFMLOEOEARR-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CC(C)CCC[C@H](N)CCC=Cc1ccccc1	2037116951	VCFCPSRIVOAMNU-QGZVFWFLSA-N	245.410	4.634	0	10	BJAE	
CC(C)=CCC[C@](C)(N)c1c(C)cc(C)cc1C	2037146543	IOTOBZRBMFDLFU-KRWDZBQOSA-N	245.410	4.532	0	10	BJAE	
C[C@@H](CCC1CC1)N(C)[C@H]1CCC2(CCCC2)C1	2037676599	WRTBCTVLVKSOCA-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@@H]1CC12CCCCC2	2039012531	PYENBYWPRXOPKV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1NC[C@@H]1C(C)=CCC[C@H]1C	2039448878	WBNXBLRVVXCXOL-GDBMZVCRSA-N	243.394	4.653	0	10	BJAE	
CCC1(C(=O)c2ccc3ccccc3c2)CCC1	2039724457	MMBOMIJPJAVRTP-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C[C@H]2CC=CCC2)CC1	2040644147	KJWJRTSYFKGIOU-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNCCC2=CCCCC2)CC1	2041540006	JEBLDCXMKQHMAT-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CC(C)[C@H](NC[C@@H]1CCC=CCCC1)C1CCC1	2045316131	AWYHMTIXLWYQCT-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@H]2CC3CCC2CC3)C1	2045459950	JQCRKXQCUGAOMN-CVSAEHQPSA-N	248.410	4.598	0	10	BJAE	
NC1(CC2CC=CC2)CCC2(CCCCC2)CC1	2045657488	KLMWQARSWWZXEQ-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@@H]1CC(C)=C[C@H](C)C1	2045693501	AYDABODPRLLDBA-RRQGHBQHSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CC2CC3(CCC3)C2)C1	2049528418	JEUPYRPPYPJWIP-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)c1	2049535221	CWKNRJXWSGDVGD-DAXOMENPSA-N	245.410	4.930	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@H]1CCCC2(CC2)C1	2049850648	ZJDGYMXUWIMANU-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@@]1(C)C=CCCC1	2049992404	NZOBZKPDRMTHIP-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)[C@]1(C)C=CCCC1	2050011198	ZSJQZTQNMAFNJM-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCCCC1(C)CC1)c1ccco1	2050524110	AWHCAQSJZIZYGY-CQSZACIVSA-N	249.398	4.681	0	10	BJAE	
CC1([C@H](N)[C@H]2C[C@H]3CC[C@H]2C3)CCCCCCC1	2052474890	FOPSMHDWKWOHDW-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC=C[C@H]1NC1CC(C)(C)CC(C)(C)C1	2055562259	DAAOMFHWYTYGCB-DZGCQCFKSA-N	249.442	4.536	0	10	BJAE	
C[C@H](C[C@H](N)C1(C)CCC2(CC2)CC1)C1CCC1	2056556878	NMCNWOAHSMVGFY-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1CC(C2CCC2)C1	2056676562	BAVZSPQMFADODF-HOJRLLLISA-N	248.410	4.598	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)C=C1CCCCC1	2056920134	OMCRSDVCBSGDJL-PBHICJAKSA-N	247.426	4.731	0	10	BJAE	
CC[C@@H]1[C@H](C[C@@H]2CCC=CCCC2)CC[C@@H]1NC	2058735976	YPDXBERJRBHFHO-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H](C)c2ccccc2)CC1	2058992025	OEBFSSFMHZQIQC-LZWOXQAQSA-N	244.378	4.576	0	10	BJAE	
C[C@@H]1CC=C(C2(N)CCCCCCCCC2)CC1	2060906664	RVZNYNOYFNPKNC-OAHLLOKOSA-N	249.442	4.955	0	10	BJAE	
CCN[C@H](CCC1CC1)C1=CC[C@@H](C(C)C)CC1	2061089557	UPTGVOMGCWGIMH-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CC1CC(=C2CCC2)C1	2061701732	NENUQICUGFLIDU-SUMWQHHRSA-N	249.442	4.667	0	10	BJAE	
c1cc(CC2CC(=C3CC3)C2)cc(C2CCC2)c1	2061718310	JTIHZAVWCLGUEI-UHFFFAOYSA-N	238.374	4.997	0	10	BJAE	
CN(CC1CCCCC1)[C@@H]1CCCCCC12CC2	2062198558	SFGIYSDGLKPLNN-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](CC12CCC(CC1)CC2)C1(C)CC1	2065308476	QJMISRBYKLNFFU-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CC12CCC(CC1)CC2	2065338534	TVDWXLNLDOPDEX-ZGRYLRDCSA-N	249.442	4.645	0	10	BJAE	
C[C@H](N[C@H](C)[C@@]12CCCC[C@H]1C2)C1(C)CCCC1	2067519326	FFLICXCJHYGPSY-IVSAIRAKSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@@H]2CC23CCC3)CC1	2069176908	SOJGHVJSUJSZGS-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CC23CCCCC3)CCC1	2069281232	UUBFFPRLUDIKGW-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCCC1(C[C@](C)(N)C2CC3(CCC3)C2)CCC1	2069339444	JFRKXBGGUHACQO-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNC1CCC2(CCCC2)CC1	2071467711	XSIPYFLYFRIGOE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CC)C1=CCCCCC1	2071513241	ZEMIROFHKAFYHH-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@@]2(C)CC=CCC2)CCC1	2071922625	UCYZSPCFASUIJH-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)C1(CN[C@H]2CCC3(CCC3)C2)CCC1	2071931828	DRECRIGAFDWSCQ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)C1=CC[C@H](C)CC1	2072090080	GVKDXPRKHZRDRE-XJNFMUPTSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@H]2CCC23CCC3)CC1	2072792547	BDHBRYGKUJZQNA-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(N(C)[C@@H]2C=CCCCCC2)cc1	2074794628	LVBDCELLICBRTD-MRXNPFEDSA-N	243.394	4.574	0	10	BJAE	
CC[C@H](C)[C@@H](C)N1CCCC[C@H]1c1ccc(C)o1	2075203298	NYMGDGFMZCPHLJ-CFVMTHIKSA-N	249.398	4.550	0	10	BJAE	
CCC1(CC)CCCN([C@H]2C=CCCCC2)CC1	2075411586	XNQVSAZGBVUXTK-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H]1CC12CCCCC2	2077184052	FKXSXNBMGBCNDZ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCCc1ccc([C@@H]2CC(=O)C[C@@H](C)C2)cc1	2077925654	XPVKVSIJVBWUND-BBRMVZONSA-N	244.378	4.502	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2C[C@H]2C2CCCCCC2)C1	2079525973	CVAJNQWWBAZBQM-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
C1CCCC([C@H]2C[C@H]2NCCC2CCCC2)CC1	2079529515	MALCRMUXZLYZAL-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(OC[C@@H]2C[C@H]2C2CCCC2)cc1C	2079803203	MEBRZIWJJPEEKC-RDJZCZTQSA-N	244.378	4.509	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CCC[C@H]2C[C@H]2C)c1	2082949509	WZFHJIOSYSDULJ-HIFRSBDPSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CC(CN[C@@H]2CC=CCC2)CC(C)(C)C1	2082987253	PTHBAEZXXVHRHH-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@@](C)(N)CC1CC2(C1)CC1(CCC1)C2	2083618416	ZBLOFEUJHMVKMT-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2213278976	ASWRMORKDZUJCM-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@H](O)CCCCCCC1CC1	2213575807	JKYDKNYJZPTQPJ-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](CC(C)C)C(F)F	2213853710	DAPWWTJCQIWZKT-OLZOCXBDSA-N	249.389	4.615	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(CCCCC2CC2)C1	2214583181	OBLSDTLUCCKSTN-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](N)C1CCCCC1	2214779033	YUQBWNZSUBPVBA-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[C@H]1CC[C@H]1C	2215096448	POTIKNRDNMBZMI-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@@H](N)CC2(C)CC(C)(C)C2)CCC1	2215394958	VEPRGRNJCZNNTF-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218323576	XCRZNCBIAXSUPY-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@@H]1CC[C@H]2C[C@@H]21	2218731595	NSXMSBDIXCHAQI-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
FC1CC(CCNc2ccccc2C2CCC2)C1	2220646867	LUASXVUQUJVMKI-UHFFFAOYSA-N	247.357	4.504	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC1(N)CCC2(CCCCC2)CC1	2220672953	OJRLXXRRPRITGR-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1cccc2ccccc12	2220930401	VLPGNHUQBCJNGY-HIFRSBDPSA-N	239.362	4.688	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@@H]1CCCCC12CCC2	2220964230	WHSAPNZNZBJTIJ-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(F)c1NCC1(C)CC2(CCC2)C1	2221024720	DXBBBYBVOYXRGK-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@H]2CC=C(C)CC2)CC1	2221667623	MALDLGPNODXNRK-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(=CCCCCCCC1CC1)[C@H]1CCCCN1	2223126511	SRBVTSLRXHXNNJ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CNC1CCC(=CCCCCCCC2CC2)CC1	2223132987	QQXZQVMDPDNBGZ-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
O=C1[C@H]2CC[C@@H](C2)[C@@H]1CCCCCCCC1CC1	2223142074	VZAONNNDRVUSND-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H](C)C[C@@]1(CNC2CCC2)C=CCCC1	2223546548	KPKATNUEKRSEFS-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1(C)CCCCC1	2244779264	CWCKIWVYGVQWAH-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1CCC[C@H](C)C1	2244785262	XKEBCAKNDIAMCG-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CCCC[C@H]1C[C@H]1C	2247152044	XKPOLHUNLWTCSB-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCCC[C@H]1C[C@H]1C)CC(C)(C)C	2247165470	MJJTZGNZPZVHRK-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@H](C)CC(C)(C)C	2247460897	HEODPQYMQVTRHP-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCCC1(O)CC(C)(C)C1	2248824080	WRQSIBMYEKBIFC-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(F)c(C)c1F	2250380189	XWGJEFNGBANXHH-LLVKDONJSA-N	241.325	4.511	0	10	BJAE	
C1=C(Cc2cccc(CC3CC3)c2)CCCC1	2251354098	MRXRSCAOBGTIIP-UHFFFAOYSA-N	226.363	4.682	0	10	BJAE	
CC(C)=CCC[C@H](N)C1CC(CC(C)(C)C)C1	2251542188	NDDCJIRMUJIFGK-NRXISQOPSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)C[C@@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251703957	YIVRBVNFWVIYIX-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
C1=CCC(c2ccccc2-c2ccccc2)C1	2252635793	RGJMSEKYXZCGOF-UHFFFAOYSA-N	220.315	4.787	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1ccc2ccsc2c1	2253136125	XFXXUAHRBOJQFF-NSHDSACASA-N	246.375	4.766	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@H]1CCC12CCC2	2254607319	SURBHZYZCSOJLB-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
NCC[C@@H]1CCC[C@H](CC[C@H]2CCCC23CC3)C1	2255233572	NENPUUAACKNHSD-OWCLPIDISA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)CC[C@H]2CCCC23CC3)CC1	2255289623	XBDUYHBUEZKZIW-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cccc2ccccc12	2259446083	DQLLKNRFFNXFJD-DYVFJYSZSA-N	242.362	4.700	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2260677413	FOPFODZVSLUXSG-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)[C@@H](O)c1cccc(C2CCCC2)c1	2260728864	AULBZPZVKSKRPF-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CC(C)(C)CC1CC(CN[C@]2(C)C=CCCC2)C1	2261201534	NDRDZEJBHIHZPS-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C(=O)Cc1cccc(C(C)(C)C)c1	2261364579	XVJFXGKQVIEVLO-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(C[C@@H]2CC=CCC2)C1	2261376485	OFKAXSYTCKNYCZ-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)C[C@@]12CCC[C@@H]1C2	2297876427	NDLQKPAUZSZHEM-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)CC[C@H]1CCC(CC)CC	2300679850	XPLKSLRQXSYAAW-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCCC[C@H](O)c1ccccc1	2300686643	SVVFRDLBNMDFNA-INIZCTEOSA-N	234.383	4.717	0	10	BJAE	
CCC(C)=CC[C@]1(O)CCC[C@@H](C(C)C)CC1	2300880606	LYFJFSNXGFEIPO-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC(=CCN(C)CCC(C)C)CCCC(C)C	2300883799	KEHGCAZKSMPGCY-UHFFFAOYSA-N	239.447	4.737	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H]1CC[C@H](CC)CC1	2300907267	QLUQHRLLXOJJPS-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@](C)(O)C(C)(C)C)CCCC(C)C	2300915174	YLJAVBMOTICRTK-INIZCTEOSA-N	240.431	4.946	0	10	BJAE	
C[C@@H]1CC[C@H](O)[C@@H](CC2CCCCCC2)CC1	2301240061	WIEKTWMPQRXSCP-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1CC1CCCCCC1	2301244990	RAAAADHYLKZHKZ-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(CN(C)[C@@H](C)[C@@H](C)C(C)C)C(C)C	2301702751	ZYQBKSCGQTWYDP-GJZGRUSLSA-N	241.463	4.527	0	10	BJAE	
CCCC1CCC(CCC2(N)CCCC2)CC1	2302563341	ISOUVVLSCGDGDG-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@H](O)CCCCC2CC2)CCC1	2302570786	CWVWOFDWLVNJEZ-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC)CCC(C)=C(C)C1	2303468597	NNNJBMJAAYRYKO-BBRMVZONSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CCc1cc(=S)c2ccccc2[nH]1	2304029614	HVZUUVBRUGDFFQ-UHFFFAOYSA-N	245.391	4.876	0	10	BJAE	
FC1CC2(C1)CC(CC=Cc1ccccc1)C2	2304323149	IYMKHWZLWULDPZ-UHFFFAOYSA-N	230.326	4.618	0	10	BJAE	
c1sc(CCC2CCC2)nc1[C@H]1CC12CCC2	2304508281	MEMROUPSFACEAN-GFCCVEGCSA-N	247.407	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1CC2(CCCC2)C1	2307894871	SPMUKNGJFKVVSE-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC1([C@@H](N)[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCCCC1	2309540222	OJPRDZJLEHMPJQ-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@@]23CCCC[C@@H]2C3)C1	2311146556	SUZKMPKYSDTAKO-PVAVHDDUSA-N	249.442	4.502	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313161855	KKAPOOXVKSADGQ-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CCC1)[C@H]1CC=CCC1	2313584588	QZPDRZOFMZBIKD-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@@](C)(N)c1cccc(C(C)C)c1	2315957550	XRZANPCTMREBQE-QGZVFWFLSA-N	247.426	4.810	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@@H]1CC[C@H]2C[C@@H]12	2316504869	YGXXFWGBPWBXGV-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316749592	LUMKTCXWJZLTDI-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(C[C@@H]2CN[C@H]3CCCC[C@H]3C2)CC1	2316938751	RXLNYIDNBZYASY-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](N)CCC2CCCCCC2)cc1	2317014617	AORWYBMFDWMYCV-KRWDZBQOSA-N	245.410	4.745	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@@]12CCCC[C@@H]1C2	2318598005	OTDQZIHQHMPADX-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@@H]2CCC(C)(C)C2)c(C)c1	2319121659	PEIPZVHDUMYSNJ-HOCLYGCPSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H]1[C@H](C[C@H]2CCC(C)=C(C)C2)CC[C@@H]1NC	2320388818	UKZDNSMLGKFVHM-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CNC[C@@H]2CCCC2(C)C)CC1	2320413927	VJBYISZOWOXCJM-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2CC(=C3CC3)C2)CC1	2320423188	KVLPLJDHWRLHCH-ZDUSSCGKSA-N	244.378	4.583	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cccc(C2CCC2)c1	2320650612	UEJUHHXNJTURRS-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CCC[C@H](CC)CN1[C@H]2CCC[C@H]1CC1(CC1)C2	2328294368	RXPIPFOBXYPCDV-JYJNAYRXSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1C[C@H](N[C@@H](C)c2ccccc2)CC(C)(C)C1	21013098	WIVXLGBRRYXYGB-YCPHGPKFSA-N	245.410	4.552	0	10	BJAE	
CC(C)C[C@@H](C)Nc1cccc2ccccc12	21815955	OLHVCDZBPPZOFU-CYBMUJFWSA-N	227.351	4.686	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)CCCCC	36792250	ZCVXNXGWTPFYGS-LSDHHAIUSA-N	227.436	4.904	0	10	BJAE	
CCC(CC)N[C@@H](c1ccccc1)C(C)(C)C	36994721	AXUOACUPOLQWQP-HNNXBMFYSA-N	233.399	4.552	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)c1cc2ccccc2o1	50400873	YPJGFZYLUMTXGY-OCCSQVGLSA-N	245.366	4.662	0	10	BJAE	
CC1=CC[C@]2(C)C[C@H]1[C@]1(C)CCC[C@@]12C	64634153	RMKQBFUAKZOVPQ-APIJFGDWSA-N	204.357	4.559	0	10	BJAE	in-vitro
CCCC[C@H](CC)C[C@]1(N)CCC[C@H](C)C1	71084851	JVDMVMOMILMLIT-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(NCCC(C)C)ccc1C(C)C	83350159	AEARSORQXJHVDT-UHFFFAOYSA-N	219.372	4.576	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](CC)c1cccs1	83863974	UNYALOFRIBLQFK-AVGNSLFASA-N	239.428	4.614	0	10	BJAE	
C[C@@H](Nc1ccsc1)c1ccccc1Cl	85527729	BSMKRKNBTJCVLU-SECBINFHSA-N	237.755	4.575	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCC2=CCCCC2)CC1	86894179	CTRKEQHEPPZTMV-DOTOQJQBSA-N	249.442	4.825	0	10	BJAE	
CCCCC[C@H](N)C1CCC(C(C)(C)C)CC1	87986979	GDTPVUUYFCODRM-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)[C@@H](CNC(C)(C)C)c1cccc(C)c1	93190253	QJKORMBXQRAXLJ-GOEBONIOSA-N	247.426	4.513	0	10	BJAE	
Cc1c(C)c(C)c([C@@H](O)CCC(C)C)c(C)c1C	104039206	QROWZMSSERYTSB-INIZCTEOSA-N	248.410	4.698	0	10	BJAE	
CC[C@@H](N[C@H](C)C1CCCCC1)c1ccccc1	109947015	BXJUYBTWKURVEA-RHSMWYFYSA-N	245.410	4.696	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)c1ccccc1	148233887	ZNDBHCLJKPFSRN-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
C[C@H](C[C@H](O)CC1CCCCC1)CC(C)(C)C	168808105	PJMXTEVKDHKDJF-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H](N[C@@H]1CCCC[C@@H]1C)c1ccccc1	216407437	QCBFPRLZDFUENU-UAGQMJEPSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(O)CCCCC2(C)C)C1	226874874	ZWHDIRBOCKNGDT-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1)C1(C)CCCC1	229499710	KYJKXKINXUJMNU-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](Nc2ccc(F)cc2)C1	230765528	FQPSORWTBZLRMC-BBRMVZONSA-N	249.373	4.843	0	10	BJAE	
CCC(CC)(CC)NC[C@@H]1CC(C)=C[C@H](C)C1	232879561	GQKIQMYIXDJUGY-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CCC(CO)([C@@H](C)CCC)CC1	232925995	AOAKQZNLCRUUQA-FHERZECASA-N	240.431	4.782	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@H](C)CC)c1ccccc1	252408961	JQYGMMBIJJNTSC-FMKPAKJESA-N	233.399	4.552	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1	300462838	ARBNNGZVYWWTED-NILFDRSVSA-N	244.378	4.558	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CCCC(C)(C)C	300814456	GGXICFQIJKPPCJ-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CCCC(C)(C)CNC(C)(C)C	300849246	KSJWVNWUVBIHJY-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H](C)CCCC	300978708	TWGDRTPREVEMPK-ILXRZTDVSA-N	227.436	4.747	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC(C)(C)C)cc1C	302330193	SGXKWHJLGBZKSO-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
C[C@H]1CCCC[C@H]1NCC1CCCCCCC1	302351497	WOGJIWDWIYUUHT-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@@H](C)CC2)cc1C	302362060	YHEGFWMVETVHIF-CJNGLKHVSA-N	245.410	4.938	0	10	BJAE	
CCCC[C@](CC)(C[C@H](C)CC(C)C)C(=O)O	304174423	MUEXIBRLCJRDBP-UKRRQHHQSA-N	242.403	4.730	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCC2CCCCC2)C1	305895446	FXDBDLUNTZKJEZ-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCC[C@](C)(CCCC(C)(C)C)CNC1CC1	305903791	DCNAZCRDLCJVRI-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)CCC[C@@H](C(C)C)C1	305910854	FMMHBVWMCSNKQI-XHSDSOJGSA-N	240.431	4.636	0	10	BJAE	
CCc1ccc(Cl)c2sc(Cl)cc12	306712577	ZIOIZSKENAHYLS-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
Cc1cc2sc(Cl)cc2cc1Cl	307644288	SVDKHKCKRZOXLJ-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)C[C@H](C)c1ccccc1	308011924	CGGVJCPJXGMBPQ-UXLLHSPISA-N	248.410	4.613	0	10	BJAE	
CC1(C)CCC[C@@H](NCC(C)(C)C2=CCCC2)C1	308758909	SJNSNPUULVORJE-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N)c1ccc(C2=CC[C@H](C)CC2)cc1Cl	310223908	NUPFBTWPRHDWKP-QWRGUYRKSA-N	249.785	4.563	0	10	BJAE	
CCCc1csc(C(C2CCC2)C2CCC2)n1	310233118	KAFCDBFQUGEJBD-UHFFFAOYSA-N	249.423	4.779	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CCC[C@@H](C)C2)C1	310419558	NTECANZVGUWVAK-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C)/C(C)=C/C1CCC(C)(C)CC1	310423162	OMHIIULRIORLJE-FNDVETGQSA-N	237.431	4.537	0	10	BJAE	
CCNCC1(C[C@H](C)CC)CCC(C)(C)CC1	317081818	IGQXOAKHHLXPSV-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCCNCC1(CC2(C)CCC2)CCCCC1	317568913	MREQHHAVYAUWCN-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC1(C)CCC(CNC2CC2)(C2CCCC2)CC1	317577292	FCKWILTTWHXTGV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)[C@@H](C)C(C)C	319077497	ZNVYBDZOQJTUJY-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@@H](C)c1cc(C)ccc1C)C1CCC1	322468341	NRIDJJLMXNWZPN-YOEHRIQHSA-N	245.410	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2(C)CCCC2)C1	380164754	VSNFJTROJPUXHG-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CC2CCC1CC2	381938742	UYMFNUUULHKEDY-KOHJWAIASA-N	249.785	4.639	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@H](C)C(C)C	383380967	MBLGLESCHWUCHO-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCC[C@H](O)C1(C)CCCC1	383492639	GGXHEHDKDCBJDU-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC1CCC(CC(=O)CC2CCCCC2)CC1	383967929	YDZATZFJVGIRAZ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@@H]1CCCC[C@H]1C	384503082	DCIXSBOEINBFSS-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(F)c1NCC1(C)CCCCCC1	394672488	RMNXWGHDFIHKMD-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)CCC1=CCCCC1	395317429	JWJYXAHVJJNEKW-DHDCSXOGSA-N	249.442	4.992	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@H](C)C(C)(C)C	399255518	GWKNCROKQMZDQR-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1ccc(F)c(C)c1	401782504	BVWZAOWUFNYIRJ-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
C/C(=C/Cl)CNc1ccc2c(c1)CCCCC2	404726009	XNNDCCZVHJCEKO-BENRWUELSA-N	249.785	4.510	0	10	BJAE	
FC(F)c1ccc2c(C(F)(F)F)cccc2c1	514256375	RUGULCOAHXPWGV-UHFFFAOYSA-N	246.178	4.796	0	10	BJAE	
CC(C)(C)C1CCC(/C=C/Br)CC1	606291520	QSZJCTCVVJXDQZ-CMDGGOBGSA-N	245.204	4.748	0	10	BJAE	
C[C@H]1CCC[C@@H](CNc2ccc(C3CC3)cc2)C1	690101599	GCRRQPQXSIQGLM-UONOGXRCSA-N	243.394	4.802	0	10	BJAE	
C1=CCC(CNc2cccc(-c3ccccc3)c2)C1	692059790	NKGOZZRBUPEIKA-UHFFFAOYSA-N	249.357	4.732	0	10	BJAE	
CC1(C)CCC(CN[C@@H]2CCC23CCCC3)CC1	694333295	UEAYMFUMCWDQPK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(CC2CCCCC2)c(F)c1	694940141	FSDCEGVMUPIHOX-UHFFFAOYSA-N	220.331	4.511	0	10	BJAE	
CCCC[C@H](CCC)NC1CCC2(CC1)CC2	695997408	KGOFMUKCBSAOFI-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CC[C@H](C)CCN[C@H]1CCCCC[C@@H]1C(C)C	696216606	SNSIFFVTXOZDCV-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@@H]1CCC[C@@H](C)C1	696551236	RFEYKMQXPAGTTH-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1cc(C)c(C)s1	696565182	CKXYJRNFQMRFPY-LBPRGKRZSA-N	240.412	4.615	0	10	BJAE	
CCCCCC[C@H](CCC=C(C)C)NCC	697778551	XZRSDZFAUDJWFF-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CCCC(C)C	703962348	YHOFTFSQMIGMHG-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@H]1CCCC[C@@H]1C	704795566	BREVXQCSHRPNJB-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@](N)(C[C@H](C)CC(C)C)C1CC1	704837115	RCFNKNOIDOWNKP-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCCCC[C@@H]1CC	704951408	LYWWGODTUNOFOZ-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@H]1CCC[C@@H](C)C1	704957519	OVNRCDMNTBFYHH-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
Cc1cc(O)cc(NC(CC(C)C)CC(C)C)c1	705575951	DOVQQQFPGOCOCF-UHFFFAOYSA-N	249.398	4.573	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C[C@H](CC)C(C)(C)C	711101631	CJGLICLDMSSIST-IHRRRGAJSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H](C[C@H](CCC=C(C)C)NC)C(C)(C)C	711200873	VWRNYISQQSYYDK-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CC1(CC2(C3CCCCCC3)CNC2)CCCC1	711326933	FLUDGBWUKDOZAC-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CC(C)(C)CC[C@H]1C	713117403	KCIMNMNDDCUGSL-RDBSUJKOSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)COc1cc(Cl)ccc1Cl	713236893	UIRHLOJXQQJVOL-UHFFFAOYSA-N	247.165	4.808	0	10	BJAE	
C=C/C=C/CCC(=O)C[C@H](CC)C(C)(C)C	713684191	NFJLEMBNWYCNHY-XEHSLEBBSA-N	222.372	4.540	0	10	BJAE	
O=C(CCC1CCC1)[C@@H]1CCC[C@H]2CCCC[C@H]21	714498118	FYLGHTNKLHNIAU-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)CCC(C)C	718494393	MKSIGHXWCGLFEZ-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C[C@@H](C)C(C)(C)C	718573865	RBXOWDGOLBDOQD-ZIAGYGMSSA-N	225.420	4.523	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1c(C)cccc1C	718622424	CPHTZQNJDIJKFH-MRXNPFEDSA-N	245.410	4.700	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1cc(C)sc1C	718695368	UQGDJUDIRDFIGU-CQSZACIVSA-N	238.396	4.535	0	10	BJAE	
CC(C)CC[C@]1(CNC2CC2)CCC=CCCC1	718995628	DNYSALRZAZKEGG-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@@]2(O)CCCCCC2(C)C)CC1	719265372	BUNHVTSLCGEHQS-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
C=C/C=C/CCN(c1ccccc1)C1CCCC1	1307538705	FKUQEXWXXPQACK-ONEGZZNKSA-N	241.378	4.568	0	10	BJAE	
CCCCCN(C[C@@H](C)C(C)(C)C)C(C)C	1308570333	HNOVPOLWVOBGJI-CQSZACIVSA-N	227.436	4.569	0	10	BJAE	
CC1(C)CCC[C@@H](CNCCC2=CCCCC2)C1	1560254022	WMHJSWXOWUXSNG-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc(S[C@H](C)CC(C)C)cc1C	1651629237	GYSUFKGVQGUVHU-CYBMUJFWSA-N	222.397	4.830	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@@H]1CCCC(C)(C)C1	1656617792	MFKAEQYEYJCRHY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(CC=C(C)CC)s1	1888065568	GZSOQTFCVVXVAB-UHFFFAOYSA-N	208.370	4.599	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CCC(CC)CC	1900693621	PLNDCXGCAHIDMH-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
Cc1sccc1OCC[C@@H]1CCC[C@@H](C)C1	1904924702	GNVAHFVHYUHOGD-YPMHNXCESA-N	238.396	4.652	0	10	BJAE	
CCN[C@H]1CCCCCCCC[C@@H]1CC(C)C	1913425529	FMFGOCPHAVRFDV-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1N[C@H]1CCC2(CCCC2)C1	1916402794	TWJZNZPLNPNEMN-AWEZNQCLSA-N	229.367	4.520	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC(C)C)C=CCCC1	1916579610	PJZQAJDHUVFGTA-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](O)(CC)c1cccc(C(C)C)c1	1919512168	XFKHMWFSDIMALB-INIZCTEOSA-N	234.383	4.598	0	10	BJAE	
O=C(CC(C1CC1)C1CC1)C[C@H]1C=CCCCC1	1925736292	IRUYFRBDVGFTAU-ZDUSSCGKSA-N	246.394	4.518	0	10	BJAE	
Fc1cccc(CC[C@@H]2C=CCCCC2)c1F	1925823641	HHPZNFGBOBDOIA-GFCCVEGCSA-N	236.305	4.644	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C[C@H]1C=CCCCC1	1925868910	DAUUQAYKGWYBNA-ILXRZTDVSA-N	206.373	4.949	0	10	BJAE	
CC(C)[C@H]1CC[C@H](NC[C@H]2C=CCCCC2)CC1	1925932567	FGLPETWVMVJGIQ-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
NC1(C[C@@H]2C=CCCCC2)CC2(CCCCC2)C1	1925942972	OQONGHYUHJJAOE-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)CCC(=O)CCC[C@@H]1CC1(C)C	1935934081	BHVCBGYOZBBDSU-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@H](N)[C@H](CC(C)C)C(C)C	1936209293	NBPPFNXDGNAPQW-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1csc(CC)c1	1936760028	YGTVPVOVRNFYRI-CQSZACIVSA-N	239.428	4.527	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C1(C)C(C)(C)C1(C)C	1940280692	STPNENSPNKRUAK-ZDUSSCGKSA-N	237.431	4.523	0	10	BJAE	
CC1(C[C@]2(N)CCCCC2(C)C)CCCCC1	1940407162	OQVATKGAMVNINK-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CO)CC=CC[C@H]1C	1940957111	PXXSZUWLUSKVSQ-OWCLPIDISA-N	238.415	4.558	0	10	BJAE	
CCCN[C@@H](CCCCF)[C@H](CCC)C(C)C	1941265500	VNPGKHUTVQFYFO-CABCVRRESA-N	245.426	4.567	0	10	BJAE	
CCC[C@H](C(=O)CC1(C)CCCCC1)C(C)C	1941271922	GTFCQARXMFZPQP-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNCC(C)(CC)CC)C1	1941357471	LBMSQNJWMNTVAV-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(O)CCCC1CCC1	1941470140	LZHSCHFFBKFQDJ-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@H](C)CCC(C)C)C1	1942662489	NZQBXHDCAVSDRV-LVQVYYBASA-N	239.447	4.602	0	10	BJAE	
CCCc1ccccc1O[C@H](C)CCC(C)C	1942663676	UMDUSNDHLLKMRC-CQSZACIVSA-N	234.383	4.843	0	10	BJAE	
CCC(C)(CC)C(=O)[C@]12CCCC[C@@H]1CCC2	1944233520	AQXJPPNJTMRCCG-CJNGLKHVSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)[C@@H](C)NC1(C2CCCCC2)CCC1	1945278809	OUDPSVLEJVODOU-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CC[C@H]2CC[C@H]1C2	1947113811	ZNGHPHDJBZUILU-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
C1=C(CCc2ccc3c(c2)CCCC3)CCC1	1947358232	HEJCQHDCBKLSGH-UHFFFAOYSA-N	226.363	4.608	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)CCCCCC1CC1	1947516892	WVBIVPMDJKWQQC-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CCCCCC1CC1	1948329343	ZBRMARQPCBWQEN-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)(C)[C@H](O)C1	1949678494	LWECEWBJURUQGH-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
Cn1c(-c2cccs2)cc2cc(Cl)ccc21	1951320798	XZTIKMSPOWODEH-UHFFFAOYSA-N	247.750	4.560	0	10	BJAE	
CC(C)=CCCc1cccc(Cl)c1C	1956821654	KXRNILXUIJNBQA-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2ncc(C)s2)CC1	1958425310	PXTFZAVAJZNDTN-VXGBXAGGSA-N	223.385	4.525	0	10	BJAE	
Cc1ccc(O[C@H]2CCC3(CCCC3)C2)cc1C	1968307228	GOASFHUFZDAHNI-INIZCTEOSA-N	244.378	4.795	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCC(C)(C)C	1968598181	UADHYDADRBOOMZ-UHFFFAOYSA-N	233.399	4.967	0	10	BJAE	
Cc1cccc(O[C@H]2CCC3(CCCC3)C2)c1F	1969257361	KAXSOMOQMJMODF-ZDUSSCGKSA-N	248.341	4.626	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)C1CCCC1	1970682004	YUPIPUJOWIHCLZ-SVGFKBNWSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@](C)(O)C1(C)CCCCC1	1975571066	NWOHLMOEDJMHCL-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@]1(C)CC=CCC1	1976668754	RFONISJUTOVPAQ-HNNXBMFYSA-N	222.372	4.518	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](O)CCC2CCCCC2)C1	1996271182	QTTOKGJMJUBOFZ-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccccc2SC2CC2)C1	1996550759	XDPZLIPKNWPZHU-NEPJUHHUSA-N	247.407	4.542	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C(C)(CC)CC)CC1	1997118714	ZMBONUJMLXCPRJ-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CN([C@H]1CCCC(C)(C)C1)C1(C)CCCCC1	2000158413	LCPAKGNVEIPDEQ-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)c1ccc(Cl)cc1	2000292182	ATNHDNDQMRIQQH-SMDDNHRTSA-N	248.753	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC1CCCCC1	2000294335	RLELCBGFBYSTOP-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](C)C[C@](C)(N)C1CCC(CC)CC1	2002927633	ZNGMRTMXTSTKOF-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CCCC2(C)CC2)C1	2003019328	WYRNARPMSHERRY-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
N[C@H]1CCCCCCC[C@H]1CC1CCCCC1	2003118313	REEBMVWBURZMTR-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CC1CC1)C1(C)CCCCCCC1	2004923166	NUWNVIGNOANYTQ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CCCC(C)C)CC[C@@H]1C	2006959763	WQTWQORLGZDNRV-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CCC(C)(C)C)[C@H]1C	2006977652	DNUMAZDYTYYIEJ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@H](NCC1(C)CCC(C)(C)CC1)C(C)(C)C	2007682097	VCBFIZNSVIQGFM-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](C=C1CCCCC1)NC	2007940842	VZZFZYXGQFEGFB-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](CO)C1CCCCCCCCCCC1	2008717829	WNXGWJUSHYPIMO-OAHLLOKOSA-N	240.431	4.926	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCC(C)(C)CC[C@H]1N	2009405077	UZWQTXCFKMNJNG-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CN[C@H]1CCC(C)(C)CC[C@H]1CCC(C)(C)C	2009405601	AJYROLFMCFISBG-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCN[C@H]1CCC[C@H](CCC)CC1	2009594531	RZRWQQYUHRHVJS-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](CC1CC(C)C1)NCCC	2009618179	ZSRAYJVUKNOFPX-HBSNNGBZSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCCC)CC[C@@H](C)C1	2009631080	ZYJORSVIIGWRNV-RKIWFNSJSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@]1(CC2(CCC)CCC2)CCCN1	2009768872	KINQODOVKIYNRG-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CCCC[C@@H]1NCC[C@H]1C1(C)CCCCCC1	2009773119	VUERDLXRASYJEN-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](O)CCC(C)(C)C)CC1	2010712222	HIEUJHZGAZGJNN-HIFRSBDPSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](O)[C@@H](C)CC(C)(C)C)CC1	2010716445	NLNRGJWPXRLIJI-GUTXKFCHSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)C[C@H](C)C(C)(C)C)CC1	2010763664	LUAGIMYOMVBLRM-GUTXKFCHSA-N	237.431	4.523	0	10	BJAE	
C[C@H](N[C@H]1CCCCCC12CC2)c1cccs1	2011272229	PXEYLTWTAFOYSY-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
CCCC(CCC)CN[C@H](C)C1(C)CCCC1	2014371139	YKICMWJSJYDOGO-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)CC1(C(C)(C)C)CCC1	2017127699	RHBQEYIZFSAJPJ-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@@H]1C)CCC(C)(C)CC	2017241561	DJMDAVJIFVMPPW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)C(C)(C)C(C)C)CC1	2017721706	BSZOXVNEQHZXFD-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC(C[C@@](CC)(CN)C(C)C)CC1	2017731448	RJVAGEKJYCMSTM-GPANFISMSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)C[C@H]1CC[C@H](CC)CC1	2017774349	NLWYNGCIDSVQIA-FPCVCCKLSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H](C)CC(C)C)CC1	2017776907	WGLKJGWDNUIPKI-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC[C@H]1CCC	2018129131	ATOKVNWRNFWNCN-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@H](CC)NC1CCC(C)(F)CC1	2018130636	PCWCKKOEGJYZJL-NFOMZHRRSA-N	243.410	4.606	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@](C)(CCC)CNC(C)C	2022503124	WAZSHQLDTKZJOY-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
C[C@H]([C@H](O)C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2024129589	WQCKBROLYUMGHV-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@@H]1CCC(C)(C)C1	2026081132	JHGAZCMQDIRQDT-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)CC1(C)CCCCC1	2027276881	XDOZNLWAVSJBCL-HNNXBMFYSA-N	245.410	4.650	0	10	BJAE	
CC1(C[C@](C)(N)[C@]23CCCC[C@H]2C3)CCCCC1	2027307814	YAGLMAVTCMNWGP-XIRDDKMYSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c([C@H](O)CCCC2(C)CC2)c(C)c1	2027832560	MBLXNPXLCWNZIN-OAHLLOKOSA-N	246.394	4.616	0	10	BJAE	
CCCc1ccccc1[C@H](O)CC1(C)CCCC1	2027896898	GAQWKVRLPKBYAY-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CCCN[C@H](C=Cc1ccccc1)[C@H](C)CCC	2028584385	UUINZAGNGJRQBF-NVXWUHKLSA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)[C@]12CCC[C@@H]1C2	2028630311	ZGSVAKUOPXSVFY-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1=CCCCC1)C1CC[C@H]2C[C@@H]2CC1	2028972432	KBICRMGAKBOXDF-HOTGVXAUSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@]2(N)CCCC3(CC3)C2)C1	2031819154	SLMLQDZMPMHEOZ-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2[C@H]3CCC[C@H]32)CC1	2032782107	GGGFXOZAKDCCGG-LISQQWEMSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2033558391	KOTNOTIHMUKDEQ-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C2(N)C[C@@H]3CCCC[C@H]3C2)CC1	2034161733	RBSNWDYNDJAUEL-PYBGIAKNSA-N	249.442	4.501	0	10	BJAE	
O=C1[C@H](CCCCCC2CC2)C[C@H]2CCCC[C@@H]12	2034256720	JKZMWUITHDNNOU-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)CCCCC3(F)F	2035243048	NNOVTGFSYMJFNC-UHFFFAOYSA-N	249.304	4.603	0	10	BJAE	
O[C@@]1(C2=CCCCCC2)C[C@@H]2CCCCC[C@@H]2C1	2035852893	OCPVAULASCLRAN-SCAQPMJSSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1[C@@H]2CCCCCCCC[C@H]2C12CCC2	2035893103	YIMGGHBQCUYSTH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@](N)(CCC1CCCC1)C2	2036659328	BHLRNGUXJVHGKT-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@@H](N)[C@H](c1ccccc1)C(C)C	2037093794	RQXUZCHNCFJSNW-SJORKVTESA-N	247.426	4.724	0	10	BJAE	
CCc1ccc([C@@](N)(CC)CCC=C(C)C)cc1	2037147291	VGMPPBQLPLOASF-QGZVFWFLSA-N	245.410	4.559	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1CC[C@@H]1CC1(C)C	2037220454	JUNACRFHKRDNDK-MGPQQGTHSA-N	243.394	4.658	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H]1CCC(C)(C)C1	2037578082	LRKGUFNEBRWDOE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)[C@@H]2CCC3(CCCC3)C2)C1	2037684262	YPRBWSKQZSUQID-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@@H]1CC12CCCCC2	2039000002	ORTXAAPNXGNFCJ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)C23CCC(CC2)C3)c1	2039858994	HASPOLWNQWDITG-HPUBIQBYSA-N	243.394	4.684	0	10	BJAE	
C[C@H](N[C@@H](C)C1(C)CCCCC1)c1ccccc1	2039862496	OKCFTFYYFNQILQ-GJZGRUSLSA-N	245.410	4.696	0	10	BJAE	
C[C@@H](NC[C@H]1CC=CCC1)C1CCC(C)(C)CC1	2040638745	NYDBMQAAUGOTTM-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCCNCC(=CC1CC2(C1)CC(C)(C)C2)CC	2040974053	XLQBFVQPEOGOHW-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(CNC(C)C)CC=CC1	2042089772	SYNQLKFFYXFXOJ-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)[C@@H]1C=CCCC1	2043190311	IKEZTXYZRVQOBX-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H]1CCC2(CCC2)C1	2043612003	LMFMNAWPMNSONU-ZBFHGGJFSA-N	247.426	4.578	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC[C@@H]3CCCC[C@@H]32)C1	2045515858	FXIZCWPXMPRDRE-JYJNAYRXSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)C1(CCC)CCC1	2045814429	ZMVCAJUDHSYQAG-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CCCC2)C1CCCC1	2047020440	POLFOKIJSPGLGZ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC/C=C/CNC[C@@H]1C[C@H]2CCCCCC[C@H]21	2047433980	GMLFDMHTXQRQEK-XYJCEEEDSA-N	249.442	4.539	0	10	BJAE	
CCc1ccccc1C1(O)CCCCCCCC1	2049698331	TWQSGYWDTGULGS-UHFFFAOYSA-N	246.394	4.571	0	10	BJAE	
O=C(CC[C@@H]1C=CCCCC1)c1ccccc1F	2050495620	WCNHFAHYUUKDJD-CYBMUJFWSA-N	246.325	4.535	0	10	BJAE	
CNC[C@@]1(C[C@@H]2C=CCCC2)CCCCC1(C)C	2053385171	QUBGXKKJVCITSX-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CCC1CC1)[C@@H]1CCCCC12CCC2	2053421457	UWHBUKHDSDLENF-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1Nc1ccc(CCF)cc1	2055666732	CYALRPCTKGLUOJ-CJNGLKHVSA-N	249.373	4.579	0	10	BJAE	
CC1=CCCC[C@H]1N[C@H]1CCC2(CCCCC2)C1	2055671861	MLGXCYAFZIARAS-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
OC1(C=C2CCCCC2)CC(C2CCCCC2)C1	2056856521	TWRGYFKXVZMWKR-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@]1(C)C=CCCC1	2059252708	KQKBKHYODAQMNI-TZNLOLHFSA-N	249.442	4.847	0	10	BJAE	
CC[C@H]1CC=C([C@@]2(N)CCCC23CCCC3)CC1	2061113807	RXDBULGKNRUUCV-YOEHRIQHSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CC[C@]23CCC[C@H]2C3)C1	2061574025	CNBDJHCOAOWOTI-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC[C@]12CCC[C@@H]1C2	2061607395	QNHIPLGXSCXEKN-INMHGKMJSA-N	248.410	4.886	0	10	BJAE	
N[C@@H](CC1CC(=C2CC2)C1)C1CCCCCCC1	2061668247	NQGMMNBEKBXMIX-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H](CCCC(C)C)CC1CC(=C2CCC2)C1	2061740224	WHNRDOPEEBAWDB-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063427456	NGVXCRCXPZHGOG-NPJQDHAYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC23CCC(CC2)CC3)C1	2065263095	UDNFQWGYLNVUPK-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC23CCC(CC2)CC3)C1	2065279113	GJNCYHGBIQUQNY-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
C[C@](N)(CC12CCC(CC1)CC2)C1CCCCC1	2065282657	SVPCXVHSLYQANY-WIHSUSGWSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C[C@H]1CCCCN1)CC12CCC(CC1)CC2	2065340186	SUYWSXNKDGUMBH-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
NC1(C2CCCC2)CCC2(CCCCCC2)CC1	2065892408	LQUIQOKORUSDGE-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1C[C@@H]2CC[C@@H]2C1)C1CCCC1	2068766226	CPZVPYINVAFFLA-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCC1(CN(C)C2CC3(CCCCC3)C2)CCC1	2069323834	MCAISRRHISHBAZ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@H]2CC=CCC2)CCC1	2069334419	DCAODYJGDPHYOG-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CNC[C@@H]1C[C@H]2CCCCCC[C@H]21	2072410724	FESIDNAOGNNWHK-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](C[C@@]12CCCC[C@@H]1C2)C1(C)CCCCC1	2074021893	SVCCUCXPMHOKCE-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@]23CCCC[C@H]2C3)C1	2074027946	DOSRFOZYJWQOBP-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CCCN(C[C@]12CCC[C@@H]1C2)C1CCCCCC1	2076545438	KUDZDUDAYGTUBF-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1ccccc1C1CCC1	2079639344	IAVDSWJWJRQTRP-LSDHHAIUSA-N	243.394	4.802	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@@H]1C1CCCCCC1)C1CC1	2079821461	VNSHTMCOZPEPDL-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)C[C@@H]1CCC12CCC2	2079849814	BAUCGDICWSNFRY-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]([C@H](N)c1cccc(C(C)(C)C)c1)C(C)(C)C	2083543105	DMQPMRCUONOAHH-WFASDCNBSA-N	247.426	4.666	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CCCCC1CC1	2211123464	ZXHGXIYQUODGHQ-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
Clc1ccc2ccn(CCCCC3CC3)c2c1	2214574801	VYERODYZHPQVRR-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CC(C)C1(CC[C@@H](N)C2CCCCC2)CCC1	2214766863	CYSOAPFBIGKBTA-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@](C)(N)CC1CCCCC1	2215258379	XTTPCCMATKMSQE-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@@]2(N)CCC[C@H](C(C)(C)C)C2)CC1	2216250652	BNVPEDBSMLDOAT-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCC[C@H](C(C)(C)C)C1	2216253524	SKXWCFXBTNCPKW-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
C[C@](O)(CCCCC(F)F)CC1CCCCC1	2216468150	MSUWGFGJRZGQCU-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C)[C@@H](N)CCCCCCCCC1CC1	2216878001	ABUFSJRRKLYKNT-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1NCCC[C@@H]1CCCCCCCC1CC1	2216878693	DUXZSWONKYNZDR-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NCC1([C@H](C)CC)CCC(C)CC1	2217125467	PTKXTRJSOUOZCP-FYRZTWFESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1(CCC2CCCC2)CCC1	2217149483	UWLAWGBFEYRHJZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@]1(CNC2CCC2)CCC[C@H](C)CC1	2217164908	ZXFBYXQZQMHNCQ-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
O=C(CCCCCCC1CC1)C1(CC2CC2)CC1	2218732312	OVDCILQLFXBAJT-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@@]12CCC[C@H]1C2	2223129645	FFDKWGFNAPQSHK-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC(C)(C)C)c1cccc2ccoc12	2224182047	SSBYMXCPRBTOTD-CQSZACIVSA-N	245.366	4.520	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H](CC)CCC	2244782399	MMXKBSSMFZQREJ-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1(O)CCCC1	2244852959	ZRKGABUSGQQEKB-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@](CC)(CN)CCCC[C@H]1C[C@H]1C	2247177937	ZRDBBPUVWISNCW-PMPSAXMXSA-N	239.447	4.748	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCCC23CC3)c(C)s1	2247650339	JEQQRKCLWOIUBJ-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCC[C@H](CC)[C@H](O)[C@@H]1CCC2(CCCC2)C1	2250355395	AVRKSBLHJCOIID-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C1CC(C)(C)C1)[C@H](CC)CCC	2250356881	GHXSNEPJUIOXBB-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251712260	MBJPOOCXYXOEQG-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)CC1(C)CC(C)C1	2253653921	HDXSWZDOHPMGPV-RKHAHWSXSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2CCCCC23CC3)C1=O	2253882798	ZXNOKUPATBKEGT-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC1(CNCC[C@H]2CCCCC23CC3)CCCC1	2253884035	OZZXIHOALZEZHT-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)[C@@]23C=C[C@@H](CC2)C3)C1	2253916988	IBULWZQCIGLQPH-JKQORVJESA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2CC3(CCCC3)C2)CC1	2254056247	PPYKCIOPVDSCKU-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC([C@@](C)(N)CC2CC3(CCCC3)C2)C1	2254123773	JUXURBXSJDTCPP-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CCCC[C@@H]2C[C@@H]2C)c1	2254606453	FXALIPXGHKOBMA-UXLLHSPISA-N	245.410	4.520	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)CC[C@H]1CC1=CCCCC1	2255090851	DRCFTCVZBZNDBQ-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)CC2=CCCCC2)[C@@H](N)C1	2255135890	DQSJPSOTZPLMGI-KBMXLJTQSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C)[C@@H]1CC1=CCCCC1	2255137626	PTYUDIUKWQEYTO-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CC)[C@H](C=Cc1ccccc1)NCC	2259436487	GWMUTQMICPRUTD-SJORKVTESA-N	245.410	4.504	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(C[C@]23CCCC[C@@H]2CC3)C1	2260652834	URUBDAHIZHOJGE-QBPKDAKJSA-N	249.442	4.502	0	10	BJAE	
CC1(CC(=O)c2cccc(C3CCCC3)c2)CC1	2260736321	WAIMCLQNOYVDEU-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCC(CC)CC[C@]1(CNC)CC=C(C)CC1	2300687816	GUKBBPAVVLWRRN-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)CC[C@H](O)c1cc(C)cc(C)c1	2300688744	PXSFWFZMJZXVCZ-INIZCTEOSA-N	234.383	4.553	0	10	BJAE	
CCC(CC)CC[C@@H]1CC[C@H]1CNC(C)(C)C	2300702250	WNPMXPKPHPQRIB-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@@H](C[C@@H](C)CC(C)(C)C)NCCC	2300896831	MYGDCFHHESIGBN-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCN[C@@H]([C@@H](C)C(C)(C)C)[C@H](C)[C@@H](C)C(C)C	2301836767	OVBVYIIBFAZTSQ-GBJTYRQASA-N	241.463	4.575	0	10	BJAE	
Cc1cc(C(F)(F)F)ccc1CCCC(C)C	2302231664	VMYDMKOCCZKMGW-UHFFFAOYSA-N	244.300	4.993	0	10	BJAE	
CN[C@@H](CCCCC1CC1)CC(C)(C)C(C)C	2302571690	MVLBVLBZMOAKJP-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)CC1(C)CCCCC1	2302616249	VEFQGMGIMLNMFV-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CC[C@H]1C(C)(C)C	2303406105	ZAKZYBAGSDFVTN-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@H]1CCC(C)=C(C)C1	2303517180	UZCPRNDRNDFUBR-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@H](CC[C@@H](N)c2cccs2)CC1	2303524023	LYBLMUJSONOADC-UONOGXRCSA-N	249.423	4.665	0	10	BJAE	
CCC[C@]1(CC[C@H]2CCC(C)(C)C2)CCCN1	2304433967	GUBFXKGQNAGJML-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)CC1(N)CCC(C(C)C)CC1	2307825543	CDUJZEHYGVLDIZ-FHERZECASA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)CC1(CN)CC2(CCCC2)C1	2307844093	PWDQSQRDQQLLRU-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CCCC(C)(F)F)NC	2307908331	GSDIZJQLDNEDRC-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2308397344	OIDXJPNJUQLBGF-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1[C@H](N)C[C@@H]1CCC=CCCC1	2308937515	SZLZZAFBMDFSPT-QBPKDAKJSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC=C([C@@H](N)[C@@]2(C)CC[C@@H](C)C2(C)C)CC1	2310334181	ZTGPGWSAHGCRKU-GKLJAUDBSA-N	249.442	4.523	0	10	BJAE	
C[C@@H](NCC[C@@]12CCC[C@@H]1C2)C1(C)CCCCC1	2310374710	CPEWJVOFHQLAAX-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(CC[C@@]23CCC[C@@H]2C3)C1	2310388182	USUFTPJOOAAEBC-XOSAIJSUSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)CCC[C@H]1C[C@H]1C	2310440899	AQTANCQDRRSCIH-IVSAIRAKSA-N	249.442	4.667	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CC[C@@H]3C[C@H]23)CCCCCCC1	2310911002	IAYHBGQZFZNJJK-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2C[C@H]2C2CCCCCC2)N1	2311570420	KHGTYYWSWBMBES-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H](CN[C@@]23CCCC[C@@H]2CC3)C1	2313340707	DGTZXRCDCMNFTR-YLFCFFPRSA-N	249.442	4.515	0	10	BJAE	
CC=CC[C@H](NCCC)c1ccccc1C(C)C	2316502080	IUVWLPPGQQKPJH-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@H]1C[C@H]2CCC[C@H]1CC2	2316690533	MPOAIVYIKYNBGJ-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C[C@H]1C=CCCC1	2317907958	UUOLBVVNXDLTNB-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)CCCc1ccccc1	2317914011	YHNWJOHLAGCSFI-LSDHHAIUSA-N	246.394	4.507	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H](C)C1CCCC1	2317914539	DCZCGVZGICQGNJ-LBPRGKRZSA-N	249.373	4.940	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](F)c1cccc2c1NCC2	2317995958	VNYCJPQOPSSUJH-YWPYICTPSA-N	249.373	4.593	0	10	BJAE	
C1=C(CCCN[C@@]23CCCC[C@H]2CC3)CCCC1	2318547721	FKXALPMSGXEAEO-DLBZAZTESA-N	247.426	4.579	0	10	BJAE	
CCC1CC(CN(C)CCCC2=CCCCC2)C1	2318569550	RPPXUNOPLGIVCR-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
C1=C(CCCN2CCCC[C@H]2C2CC2)CCCC1	2318576095	LXRAPTFSWYHCCM-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@@]12CCCC[C@H]1CC2	2318871779	IBIGOKPUUZZTAP-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCCCC[C@H]2CN)CC1	2320390613	LQGFFBJAKYNWMN-IKGGRYGDSA-N	249.442	4.668	0	10	BJAE	
CCC(C)(C)C[C@@H](N)Cc1cccc(C(C)C)c1	2320635674	DKBJSROWPYTFRM-INIZCTEOSA-N	247.426	4.506	0	10	BJAE	
CC1CCC(C)(C(=O)[C@@H](CC2CC2)C2CC2)CC1	2320815507	HTBDXPWKZXWVJH-VXKCQOAXSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)CCC(C)C	20520183	CFMNCQDRDNUZBW-CABCVRRESA-N	227.436	4.760	0	10	BJAE	
CCCCc1ccc([C@@H](C)NCCC(C)C)cc1	21501002	QNKGYEVKWSWQPJ-OAHLLOKOSA-N	247.426	4.726	0	10	BJAE	
CSc1cccc(NC2CCCCCCC2)c1	21506620	GWOAKUHFKBHPQH-UHFFFAOYSA-N	249.423	4.933	0	10	BJAE	
Cc1ccc(C)c(NC[C@H](C)c2ccccc2)c1	21801865	SRPKWUZKTXLSTB-HNNXBMFYSA-N	239.362	4.519	0	10	BJAE	
CCCc1ccc(N[C@H](C)c2cccs2)cc1	21816123	PDLSRMULTFBLHO-GFCCVEGCSA-N	245.391	4.874	0	10	BJAE	
CCN[C@H](c1c(C)c(C)c(C)c(C)c1C)C(C)C	35542085	ZDLBQVHWGCWVBE-KRWDZBQOSA-N	247.426	4.535	0	10	BJAE	
CCCCC[C@@H](NCCC)c1ccc(C)cc1	35576947	INTGBOTWNISZPO-MRXNPFEDSA-N	233.399	4.616	0	10	BJAE	
CCCc1ccc([C@H](C)N[C@@H](C)CC(C)C)cc1	37261002	HZJRWGAZWGUIDL-GJZGRUSLSA-N	247.426	4.724	0	10	BJAE	
CCCc1ccccc1N[C@H](CC)c1ccco1	54084720	VRMROHQDDQWEJO-CQSZACIVSA-N	243.350	4.795	0	10	BJAE	
CCc1ccccc1N[C@H](C)c1sccc1C	70089768	MFJWMYKSNVZMRX-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CCCCC[C@H](C)NCCC1CCC(C)CC1	70538545	OFGDQGHJAQBXOW-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CCC(C)(C)C	71085369	QMAUBLLGCHHMHG-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCC1(C)C)c1ccccc1	94306027	PDKABNXPZCLYEZ-CVEARBPZSA-N	245.410	4.696	0	10	BJAE	
CCCCC[C@@](CC)(CCCC)CNC1CC1	104162021	ICHJFMZPKUIYIT-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
C/C=C\CCc1cc(Cl)c(C)cc1OCC	107621402	PPPYZKHBEAZLDO-XQRVVYSFSA-N	238.758	4.556	0	10	BJAE	
CCCc1ccc([C@@H](N)C[C@@H](C)C(C)(C)C)cc1	111647050	KPSNZDCWXQOARE-CJNGLKHVSA-N	247.426	4.711	0	10	BJAE	
Cc1ccc([C@H](C)NCCCCC(C)C)c(C)c1	134286637	IEAJVRBJJJCLHG-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCCCCCOc1ccc(N[C@H](C)CC)cc1	142784797	KNZPZVNLUDLILR-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
CC(=O)CC[C@@H](C)Cc1ccc(C(C)(C)C)cc1	147812331	AIKVDADNNFMUDG-CYBMUJFWSA-N	246.394	4.532	0	10	BJAE	
CCC(CC)C[C@@H](NC)C1CCCCCCC1	148633275	YJZKISDZRHRUQH-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC(C)C)C[C@H](C)CC(C)(C)C	158722476	PUFNXFPEZJXEJD-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@H](CC1CCCCC1)C(C)(C)C	162327315	AJMSTYNUSPWSIW-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1CCCC(C)C	165488006	WAQJHVUYNTZHHN-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)SCc1ccc(C(F)(F)F)cc1	201794351	HCGDORDFTQBWMA-VIFPVBQESA-N	248.313	4.737	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(CC2CCCCC2)C1	203332431	RQDMEGHBGACEKH-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@@H](C)C[C@@H]1C	226003589	XDFCFXQFVKNYGL-FXUDXRNXSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@@H](C)C[C@@H]1C	226163001	OWHGOQLAMBCCCD-FXUDXRNXSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@@]1(N)CCC[C@@H](CC(C)C)C1	230790044	ZJHXYAVCDPGQLV-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCCCCCC(=O)c1scc(C)c1Cl	232917651	XLLJYGYVRNRAGN-UHFFFAOYSA-N	244.787	4.863	0	10	BJAE	
CCC[C@@H](C)[C@](C)(CCC)CNC(C)(C)C	233283641	UAIUHGHLOHIUTL-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)Nc1ccccc1OCC(C)C	233349361	POQKSHCECVCWJF-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
Nc1ccc2ccc(Cl)cc2c1C1CCCC1	257996472	DTUJOYUSMMRBOP-UHFFFAOYSA-N	245.753	4.733	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@H](CC(C)C)C1)C(C)C	300307290	CIBWLVWLNJJJIV-PMPSAXMXSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C[C@H]2CCC)CC1	300577763	FNVASRUUVPNYMY-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C(=O)CCCC(C)(C)C)c1ccccc1	305906673	FUWOLYPTAJREGY-OAHLLOKOSA-N	246.394	4.966	0	10	BJAE	
CN[C@H](c1ccccc1)[C@H](C)C[C@H](C)CC(C)C	305915715	GTKAFVBGJCIWDV-INMHGKMJSA-N	247.426	4.656	0	10	BJAE	
CCC[C@@H](CCC1CCCC1)CNCC(C)C	305947804	MNLHDSLFKZPRQM-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CSc1c(Cl)cc(Cl)c2sccc12	307062675	NAELEKFUXUNULS-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CSc1cc2ccc(C)c(Cl)c2s1	307240624	HEMORTBELIFZRN-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)c1c(C)cc(C)cc1C	308081690	RBSRIBFSONZEKC-RDJZCZTQSA-N	247.426	4.684	0	10	BJAE	
C/C(=C\CCNCC(C)C)CC1(C)CCCC1	310382317	JILQINWRPOAZFY-OVCLIPMQSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](CC1CCCC1)CC1(C)CCCC1	310447639	XJWUVFJAZOEGOE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H](NCCCC(C)(C)C)CC(C)(C)C1	313252992	MKGUFGNJHMZAAO-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CNC)(C[C@@H](C)CC)CC1	317577865	POQIQFFMYYXPMO-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCNCC1([C@@H]2C=CCCC2)CCC(C)(C)CC1	317767722	WXKMGWWDWPEECW-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1CCC[C@@H](C)C1	381097107	WXHLYOZISUWTDJ-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](Nc1ccccc1SCC)C1CC1	383870583	PROYTPQWOYWIQW-ZDUSSCGKSA-N	249.423	4.789	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@H]1CCC[C@H](C)C1	385302961	VWBCSMPKNASIBM-WFASDCNBSA-N	244.378	4.703	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC/C=C/c1ccccc1	386107478	JPUZPYKDEVRVRB-SHQCLWGWSA-N	245.410	4.504	0	10	BJAE	
CCC1(NCCCC2CCCCC2)CCCC1	395163820	VMANDAJLZAITGO-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
Cc1ccc2sc(C(F)(F)F)cc2c1C	396203548	VAYGZBZZGIJHEF-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CSc1sc2cccc(C(F)F)c2c1F	396253597	SNWCEVWMYIPBHW-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)[C@H](C)C(C)(C)C	399152412	GLDLEROEEYTHPB-XJKSGUPXSA-N	247.426	4.753	0	10	BJAE	
CCNC[C@@H]1CC[C@H](CC)C[C@H]1CC1=CCCC1	400526204	ALSFOOCLOOGWPC-XIRDDKMYSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@@H]1CC=CCC1	402116353	AIKHDVFJCREKCD-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C1CCCCC1	405716415	GIUFOYWKQNICNE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCNCC/C=C\c1ccccc1	686305973	VHCUJYAWFKBYJG-WQLSENKSSA-N	245.410	4.506	0	10	BJAE	
c1cc(NCCCC2CCC2)c2sccc2c1	688387511	XTDFJRTWRWVRDL-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCCCC1CCC1	689071488	WAVYVGANLGIULV-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCSc1cccc(N[C@@H]2CCCC[C@@H]2C)c1	689702426	PWVKOANHWCMEMK-SWLSCSKDSA-N	249.423	4.789	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccc(C2CC2)cc1	690077575	COPAGEJPVJPUME-BLLLJJGKSA-N	229.367	4.555	0	10	BJAE	
CCC[C@H](NC1CCC2(CC1)CC2)[C@@H]1CC1(C)C	695697110	INRSAGVKPMRKIF-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@]1(CCC=C(C)C)CC[C@H](C)C1	698042127	YYMJMUHWHOWSPZ-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(C)=CCCC[C@@H]1CCCC(F)(F)C1	698105285	GGKOFGOVUVKCLX-GFCCVEGCSA-N	216.315	4.948	0	10	BJAE	
CCCN[C@@H]([C@@H]1CCCC1(C)C)C(C)(C)CC	701180810	QSQFRFTWJSKEID-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C/C=C\[C@@H](NCCC)c1cccc2ccsc12	704615153	YYQIWRSYUYEOQH-JHAQOBCDSA-N	245.391	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@@H](C)CC(C)C	708266140	VLXOQNNNSNBKTQ-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc([C@@](C)(O)C[C@@H](C)CC(C)(C)C)c1	709070425	CHRWKZUZNQMZFS-YOEHRIQHSA-N	248.410	4.665	0	10	BJAE	
C[C@@H](CNc1ccc(Cl)cc1)CC(C)(C)C	709078194	VEAOSCYYHAMJDZ-LLVKDONJSA-N	239.790	4.824	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@H](C)c1ccccc1	709116703	GRTPKOKCGAQPIV-KBPBESRZSA-N	246.394	4.822	0	10	BJAE	
CCC1([C@@H](O)C[C@@H](C)CC(C)(C)C)CCCC1	709121660	DVSAOPKRZRWSCW-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC(CC)CC)CC(C)(C)CC	710180424	KXTBKEKUGNQBRR-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(NC[C@H](C)CC(C)(C)C)cs1	710698760	SJFMQXLTBXLPII-SNVBAGLBSA-N	225.401	4.541	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)CCCC(C)(C)C	713052016	WDIXRUFGRLHYRD-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CC(C)(C)C(C)C)c(C)c1	713185090	XIZZLICBTLLCSX-HNNXBMFYSA-N	248.410	4.718	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](CC(C)(C)C(C)C)C1	713186251	BBPRDJYNSMIIDN-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C1(C)CCCCC1	713272955	SICALVFCJWAJES-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CC(C)(C)C(C)C)C1	713303802	FICHDIHHLQGMJG-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)C1(CC)CCCC1	713759747	FGWRBTMHCRIATI-PTZVLDCSSA-N	249.442	4.847	0	10	BJAE	
CC(C)=C(C)CCOc1ccc(Cl)cc1C	718592878	IZYRBDXVWDHBHG-UHFFFAOYSA-N	238.758	4.774	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)CC1CCCCCC1	718748392	BNKUDLAMSLDFFH-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC1C[C@H]2CC[C@H](C1)C2	719290118	HIPGEAAZOXZOPY-DZKIICNBSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cscc1C(F)F	720237536	VQQZSARAADGQCT-SNVBAGLBSA-N	248.338	4.545	0	10	BJAE	
CCCCCC[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	723614908	MJSYQPWVEOLGFO-JYJNAYRXSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(S[C@H]2CCC[C@H](C)C2)c(C)c1	1164595735	GNACTNVHNJVLMH-FZMZJTMJSA-N	234.408	4.974	0	10	BJAE	
CCc1cccc(CSc2ccc(C)cc2)c1	1188316780	FQRQOVHIYITJSN-UHFFFAOYSA-N	242.387	4.850	0	10	BJAE	
CC1=CC[C@H](NC2CC(C)(C)CC(C)(C)C2)CC1	1560712430	KQCRSVIEZFQZDO-AWEZNQCLSA-N	249.442	4.680	0	10	BJAE	
CCCCCCNCC1CCC(CCC)CC1	1660759824	TUIGGERJSLAMQF-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)CCC[C@](C)(O)[C@@H](C)CCC(C)C	1900584998	ZRVWHBGCJBEMSK-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CCC(CC)CCOc1cc(Cl)ccc1C	1900690551	HYYBIJULQFJKDK-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
CC(C)=C(C)CCC(=O)CCC[C@H]1C[C@@H]1C	1902193283	MYJZQKFNABUEDO-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC[C@H](CC)C1	1905301514	GJQCXOZBQHGGOM-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)CCCC(C)C	1905375653	YMWAXRUDLHWWJC-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)C1(C)CCCC1	1905383980	VJMXOVBJWWHTIQ-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC(C=C(CNC1CC1)C1CCCCC1)CC	1907324603	GLCKMAVFCIMJJX-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC1(CN)CC2(CCCCC2)C1	1912550225	BGDKXXMWDKWKQO-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCC=CCN[C@H]1CCC[C@H](C(C)C)CC1	1914680606	UZYDZYIXTLQWPH-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@H]1CCCC(C)C	1916013966	JVJANWYLXKHKFE-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
Cc1cscc1N[C@H]1CCC2(CCCC2)C1	1916446702	ZXFFSJNMDOFUQL-LBPRGKRZSA-N	235.396	4.581	0	10	BJAE	
CCCCCC[C@](C)(O)c1ccccc1C(C)C	1919972741	IVKGKFBZFVTNPB-KRWDZBQOSA-N	248.410	4.988	0	10	BJAE	
CCCCCC[C@](C)(N)CC[C@@H]1CC1(C)C	1921564461	SCXUCHZDCMMKDS-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](NC[C@@H]1C=CCCCC1)c1ccsc1	1925818979	GAFRDUWMAYHVNI-HIFRSBDPSA-N	249.423	4.535	0	10	BJAE	
c1cc2cc(N[C@@H]3CC[C@H]4CC[C@H]43)ccc2s1	1941020984	HFAKFIRWWASMEW-LERXQTSPSA-N	243.375	4.502	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](O)CC(C)(C)C(C)C	1941244980	CCVMTKCIWZHQDZ-LSDHHAIUSA-N	242.447	4.738	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CCCCCC1CC1	1941590673	DGHYTZHFKOMXJV-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](CN[C@H]1CCC[C@@H](CC)CC1)C(C)C	1941934880	NSPDDMSTNQNGLJ-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)([C@H]1CC1(C)C)[C@H](C)CCC(C)C	1942655123	GLRURQNVRNPZKE-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1CCC[C@@H]1C	1944782922	DFJHGSKOKUFZEC-KBPBESRZSA-N	232.367	4.625	0	10	BJAE	
CC1(C)CC[C@@H](c2nc3ccc(Cl)cc3[nH]2)C1	1945587523	YYYJHBVNBVLQDA-SECBINFHSA-N	248.757	4.510	0	10	BJAE	
CCC(CC)[C@@H](C)NCC(C)(C)C1CCCC1	1946158943	TYCJIQNAJOLTIJ-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CCC(C)(C)C1CC1	1947523098	ISMVNYWPIFTYIY-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CC1(CNCC)CC(C)(CC)C1	1948412479	ZDMQLAZELYSDNR-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CC1CCC(CC)CC1)C(C)(C)C	1949824577	BHZCETFTFVIFBQ-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC1CC2(CCC2)C1)NCC	1949838221	UWJDOJZMZIRICH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CCC[C@H](N)CC1CCCCC1	1949914505	FCARMSNZRFRXAL-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
Cc1csc(C)c1C(=O)[C@@H]1CC12CCCCC2	1950605262	RBUAUHQZAJSMQT-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CC(C)(C)c1cccc(-c2ccc(C=O)s2)c1	1950885991	GTSYWGFDNRBAGB-UHFFFAOYSA-N	244.359	4.525	0	10	BJAE	
Cc1ccc(C)n1C[C@H]1CCCC(C)(C)CC1	1950923239	SFHJJHHOESCXTL-HNNXBMFYSA-N	233.399	4.711	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@H]1CCCCC12CCC2	1967797820	PKSMQLYRTKPEHT-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC[C@]1(C)C=CCCC1	1967836796	JJHNSFLUYDTROB-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
Clc1cccc(NC[C@@H]2[C@H]3CCCCC[C@H]32)c1	1968262323	IXFYFSPBOOPNQF-FICVDOATSA-N	249.785	4.578	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1CCC2(CC2)C1	1968298912	MBLBFFJZVNNFNJ-AWEZNQCLSA-N	243.394	4.802	0	10	BJAE	
CCc1ccccc1NCC[C@H]1CCC[C@@H](C)C1	1968359667	FGHMQZLPXNQTGQ-HUUCEWRRSA-N	245.410	4.877	0	10	BJAE	
C[C@H](CN[C@@H]1CCC2(CCC2)C1)C1CCCCC1	1969017026	ZDQKNRDMLLDVTQ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@@H]1CCCC2(CCC2)C1	1970477651	XZMVSGFHLFOKRY-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1[C@@H](C)NC1CCC2(CCCCC2)CC1	1970898363	VSLSGDMHTXUYSO-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@@H]2C(C)C)cc1C	1972020636	IATZFCAEUQVOPU-IAGOWNOFSA-N	245.410	4.794	0	10	BJAE	
CC(C)CCCN1CCCCC12CCCCC2	1972910313	ARDAGJDUIQEXCM-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC(C)(C)CCNc1ccccc1C1(C)CC1	1973423546	UNDYCIAUGXOWPE-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CCC[C@H](NC1CC(C)(CC)C1)c1ccccc1	1973588816	CYVLKTYNMWBUON-CGZBRXJRSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@@H](NCCC)C1(CCC)CCC1	1978587587	UBDDQKQPKSPIPY-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC1CCC(c2csc(C(C)C)n2)CC1	1980225623	GVACZSDBBWSUCB-UHFFFAOYSA-N	237.412	4.950	0	10	BJAE	
CCCC(CCC)C[C@@]1(CCC)CCCN1	1984255618	HESCZJNDMLTQBQ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC=CCCC[C@H](N)C[C@H](CC)C(C)(C)C	1984650016	STCNGONGLRDZCF-KBPBESRZSA-N	225.420	4.523	0	10	BJAE	
CCCCC[C@@H](CC)NCC(C)(C)CCC	1990091016	JCKRNMWOWMPBLW-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
Cc1cccc(C)c1NC1C[C@H](C)C[C@@H](C)C1	1995686497	ILNDJDYWNNNKPH-VXGBXAGGSA-N	231.383	4.540	0	10	BJAE	
CCC(C)(C)CCN(C)CCC[C@@H]1CC1(C)C	1995776697	BOGLGSBKAYJSFE-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC1CC(C(C)(C)C)C1	1998258611	NTBQLOYSJCWUAF-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](O)C2CCCCCC2)C1	2000028118	PNDDBWPKWOSFAX-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)NCCC(C)(C)[C@H]1CCCC(C)(C)C1	2000163732	UGLXGRMHWJUTTL-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)CC2CCCC2)C1	2000174231	QBLNTLUAKRDMHO-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@@H]1CC1(C)C	2000500811	YLHKCUUNEZIZHI-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CC2(C)CCC2)CC1	2001136085	CCIROYARZMEQAI-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@H]2CCCCCC[C@@H]21	2001502745	YWISGLKWWMJAMO-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](NCC)[C@@H](C)C1CCC(CC)CC1	2002926153	OLPWLPTVKDLCSS-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@@](C)(N)CCCC2CC2)CC1	2002927630	UKOGHZZOXSKMFC-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@H]1CCCC(C)(C)C1	2002981770	JCIFEMKZYCVXOC-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@H]1CCCC(C)(C)C1)C(C)(C)C	2003018912	PHXSZUDFLZAUMT-MELADBBJSA-N	239.447	4.602	0	10	BJAE	
CC1(C[C@@H](N)c2ccc(C3CC3)s2)CCCC1	2003177978	XMCFIHJUVPYEES-GFCCVEGCSA-N	249.423	4.596	0	10	BJAE	
CCSc1ccccc1N[C@@H](C)C1(C)CCC1	2004838351	YZFDEBSKAUHESN-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CC(C)(C)CCC[C@]1(CO)CCCCC12CC2	2005578549	BJMKPQZGDLRPHR-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CN[C@@H]1C[C@H](CCCCCC(C)C)CC[C@H]1C	2006949615	UXLDOEIONYTMDD-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C1(C)CCC(C)(C)CC1	2007691843	SVEWRFBHCRPSQV-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)CCC(C)(C)C	2007936910	JKUVPIOCIPTMTM-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC[C@](O)(C1=CC[C@H](C(C)(C)C)CC1)C(C)C	2010723796	WQJQWPOCIGDXMV-XJKSGUPXSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@H](O)CC2(CCC2)C1	2012059727	WPCXMGNPRXDKRM-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@](CC)(CNC(C)C)C(C)C	2012412370	OOEAURYVJCIIQE-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1C[C@@H](C)CC[C@@H]1C	2013323279	VLKOBDPXIRTWDX-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CCCC(CCC)NC1CC(CC(C)(C)C)C1	2014649903	DCBPYDNLLVTLNR-UHFFFAOYSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)CCC1CCCCC1	2014901351	PVZSSYKYEOYTIX-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@@H]1CCCC(C)(C)CC1	2016412658	SAUNSSRAYJRXLN-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)C[C@H]1C[C@H]1C	2016851547	IZJKCINRTMJOOO-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)[C@@H](O)C1CC(C)(C)CC(C)(C)C1	2017490075	KSYGMUZOXXNGHI-CQSZACIVSA-N	238.415	4.556	0	10	BJAE	
CC[C@](O)(C[C@H]1CC[C@H](C)CC1)C1CCCC1	2017651403	SXXLUNRUCRMTJZ-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](CNCCCCC(C)C)CC1	2017662990	NAMZERXSNPHLPP-WKILWMFISA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1CC[C@H](C)CC1	2017728599	NIOATUAJZZKPEF-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC[C@@H]1C1CC1	2018132656	VFGYNFVCNXFMHH-XHSDSOJGSA-N	237.431	4.514	0	10	BJAE	
CCCC1(CC2(O)CC(CC(C)(C)C)C2)CC1	2018970512	QGSDRNFCOIDXSL-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](CCC2CCC2)NCC)CC1	2018999461	KLKJIDRDIBQGFZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@]1(C)NCCC1CCCCCC1	2020577088	ASBDYELSWDPBGA-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCCCC(C)(F)F	2023361942	FGWGBUGCJSAZOG-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](C)c1csc(-c2cccc(F)c2C)n1	2024008701	NLFYKQSODPURBH-SECBINFHSA-N	249.354	4.771	0	10	BJAE	
CCN[C@H]1CCC(C)(C)C[C@@H]1CC(CC)CC	2024117102	KIUGLUMVDNUQIE-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](C=C(C)C)NCCC	2026074867	PXHJLFRKRRSOSA-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCC[C@H]1C[C@H]1C	2026165542	CHOQVLDJVAUCKN-XUWVNRHRSA-N	240.431	4.780	0	10	BJAE	
CC1(C(=O)c2cccc(C3CC3)c2)CCCCC1	2028548067	AAZBTRXCPZHRCZ-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@H]1CCCC2(CC2)C1	2028879634	WNHAURFJGVSWAO-HNNXBMFYSA-N	246.394	4.662	0	10	BJAE	
CC(C)Cc1ccccc1[C@@H](O)[C@@H](C)CC(C)C	2028919021	PDYZWIJICARJAJ-YOEHRIQHSA-N	248.410	4.601	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccc(C2CC2)cc1	2029072650	YGNQVYSEXBWXGK-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
OC1(CC2CCC=CCC2)CCC2(CCC2)CC1	2032252812	BKURRZOCIZEBBI-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1C[C@H]2CC[C@H](C1)C2	2033101754	ZPNAVCWZJHPMSA-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)[C@H]1CCC1(C)C	2033570894	MKQSEIGRAKIBQF-CVEARBPZSA-N	245.410	4.507	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1C[C@@H]2CC[C@@H]2C1	2034570522	SYRVGGVWCKMPDR-QLPKVWCKSA-N	241.378	4.555	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CC[C@@H](C)[C@@H]1C(C)C	2035413610	VPPFLGAQJNEVLB-DFBGVHRSSA-N	249.373	4.617	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)C[C@H]2C=CCC2)c1	2035559341	ZWOJVSPJKUDUBP-ZDUSSCGKSA-N	242.362	4.523	0	10	BJAE	
C1CCCCC(NC2[C@H]3CCCC[C@H]23)CCCC1	2035888267	AFIFMFLZPRCZNJ-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2036317735	HFYLMCOCGBRBHD-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)c1cccc(C2CC2)c1	2036352136	KVMFFJWADLSSKO-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)CC1CCCCC1	2037102142	RIAPBYVKNFYBCF-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
N[C@@]1(C[C@@H]2C=CCCCC2)CCC12CCCCC2	2037273883	CWDYCIBCAJYLTJ-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CCC1CCC([C@@H](N)[C@H]2CC23CCCCC3)CC1	2039077945	DIOIENMGTQHLJO-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)C2CC3(C2)CC(C)(C)C3)C1	2039417144	CLVONWUIAAQBNX-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](c1ccco1)[C@@H]1CCC[C@@H](CC)CC1	2041378607	FHAZAZZPSWIDOX-FMKPAKJESA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)C1(C)CC=CC1	2042017652	XEXJJEPLGJBTCJ-INIZCTEOSA-N	247.426	4.601	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042343965	BQKDOJRMGCMMEQ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@@H]1CCC2(CCC2)C1	2043612000	LMFMNAWPMNSONU-GDBMZVCRSA-N	247.426	4.578	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@H]1CCC=CCCC1	2045307859	OWOARUNLXHFWNR-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CCC=CCCC2)C1	2045321398	VKJWMSNFCCSIQJ-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2C[C@H]3C[C@H]3C2)CC1	2045842598	PYQOXJSCNKBIPM-TUVASFSCSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@@H]1CCCC2(CC2)C1	2049865092	LHGYFOHXKAINKQ-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC1(C(=O)C[C@H]2CCCC3(CC3)C2)CCCCC1	2049952251	VUWNQHYLNFAVIT-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)[C@@]1(C)C=CCC1	2050006085	KUCVBDDOLLBYPD-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCC(C)=C(C)C)c1ccccc1C	2050459116	TWPZHJBEBBBLEB-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1ccc(C)cc1F	2051405117	DLUQAWWIOKRQNK-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H]1CCCCC12CC2	2053304013	HJCVTJVHJWZKOR-GOEBONIOSA-N	247.426	4.578	0	10	BJAE	
CCNC[C@@]1([C@@H]2C=CCCC2)CCCCC1(C)C	2053395150	VRLPEAYSYLUALG-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC(=Cc1ccccc1C(C)(C)C)CCCCN	2053963697	UXSMYXJKCRIZCV-UHFFFAOYSA-N	245.410	4.516	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CC[C@@H](C)[C@H]2C(C)C)CCC1	2055549535	LRAAYSDRSYJENW-MWQQHZPXSA-N	249.442	4.536	0	10	BJAE	
CC1=C[C@@H](N[C@H]2CCCCC23CCCC3)CCC1	2055549669	NHAKPLBIHJQMSP-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC(C)NCC1(C2CCCC2)CCC2(CC2)CC1	2056557020	OTQUZFADPQJNEY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@@]1(C)CC1(C)C	2056873753	QJVDNHOOYUTNMT-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC=CCCCC(=O)[C@@H](c1ccccc1)C(C)C	2059207480	NSKQMTXWPZWUEH-QGZVFWFLSA-N	244.378	4.742	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)C1(C)CCCCC1	2060920134	BYBSPIVLYAWOOJ-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C1=CC[C@H](C)CC1	2060921762	NKGLBFQQAQDPBA-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)C1(CC)CCC1	2060928545	FUOIYGFXILULGF-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C1=CC[C@H](C(C)C)CC1	2061122320	NQJKRDFDLYEUIU-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCCCC23CC3)cc1	2062016634	IRMGAPURBWMUBH-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCCC12CC2)C1CCCC1	2062019574	JGSZCXCELCHRMK-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccc([C@H](O)CCC[C@H]2C[C@H]2C)cc1	2062602492	JAVIYSXVIDBVEA-XOKHGSTOSA-N	246.394	4.670	0	10	BJAE	
CC1CCC(C)(C(=O)CC23CCC(CC2)C3)CC1	2065276018	ZHAIULFAWCZTFH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](CNC23CCC(CC2)CC3)C1	2065334563	FYDHWGSLCFIURZ-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CC23CCC(CC2)CC3)C[C@@H]1N	2065339340	LJEOPGLWNHQCET-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(N)(C1CCCC1)C1CCCC1	2065935032	PAMMRPKHFZXZCW-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068774446	YOOWMFQVEPTFRZ-AQRZSSMZSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C[C@@H]1CNc2ccccc2C1)C(C)C	2069001435	GBDJNFWHSOQNRU-CQSZACIVSA-N	245.410	4.589	0	10	BJAE	
CCCC1CCC([C@@H](N)C[C@@H]2CC23CCC3)CC1	2069200889	JUZXFDQGMIQPBN-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](O)c2cc(C)ccc2C)CCC1	2069338882	CFHAXRJOSHSHLI-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCC=CCCC2)CC1	2072798722	MBSDNGIOYIOCMS-ULQDDVLXSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)c2coc(C)c2)CC1	2072799807	XKZLRYZAKWVTAY-DZKIICNBSA-N	249.398	4.584	0	10	BJAE	
CCC1CCC(C=C2CCC[C@@H](CCN)C2)CC1	2072808684	HWOLEEFOIYDHOL-PCKAHOCUSA-N	249.442	4.668	0	10	BJAE	
CCC1CCC(C=C2CCN[C@H]2C(C)(C)C)CC1	2072808948	KBQYDLZRICQNSD-ZBCRRDGASA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@]23CCC[C@H]2C3)CC1	2072880280	ZUVQKNUIPKZPJP-QBYUYEEZSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccccc1N(C)C	2073344650	DIFHVKYXYKROFC-CQSZACIVSA-N	248.414	4.523	0	10	BJAE	
CC(C)[C@]1(C[C@@]23CCCC[C@H]2C3)CCCCCN1	2074029743	PGZJBGQPROLLQL-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC1=C1CCNC2(CCCCC2)C1	2074142718	VIAPYFXXYSSXDC-CQSZACIVSA-N	247.426	4.579	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)C12CCC(CC1)C2	2074643282	CWGQDTLLAQOTHW-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CCC(=C2CN[C@@H]2C(C)(C)C)CC1	2076154975	RFONYGAZIPFZFX-WUJWULDRSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@@H](NCC)c1c(C)cc(C)cc1C	2077189547	JGOBKRWFRNYXGL-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](CC)CC1)[C@@H]1C[C@H]1CC	2079221326	CQJNMTQMTUWOLH-MUIFIZLQSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@@H]1C[C@H]1C1CC1	2079339150	YVERIQDRDVEQSS-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)C(C1CCC1)C1CCC1	2079859878	ATLLANPYKDSDIZ-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(-c2cc(Cl)cs2)c(F)c1	2080276357	HWZZRQXLXBDYQX-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2081131104	BVPUPCDXYDQZFS-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@]2(N)CCC[C@H]3CCCC[C@H]32)CCC1	2081135755	FDGHHZKSKBZRBF-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H]1C[C@@H]2CC[C@@H]2C1	2081779024	LKJNYBUBHRCUPD-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC1CCC=CCC1	2081795010	GTSQYXARCXLTMU-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CCCCCC[C@](C)(O)CCCCC(F)F	2212224318	RVQDLXJGFHCMIW-ZDUSSCGKSA-N	236.346	4.533	0	10	BJAE	
CC1=C[C@](N)(CCCCCCCC2CC2)CC1	2216860913	RURBVQSTUNGZJO-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
Cc1cc(Cl)cc(O[C@H](C)c2ccccc2)c1	2217056033	YHFRLLMVMLDPPL-GFCCVEGCSA-N	246.737	4.788	0	10	BJAE	
CCCC[C@@](CC)(CN[C@H](C)CC)CC(F)F	2217125211	NMZQSYHODXOJHW-TZMCWYRMSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCC[C@H](CNC1CCC1)C(C)(C)C	2217142910	YJXKUIWBYWLLGC-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)[C@@H](C)c1ccc(C)cc1	2217374439	CJDCVJLIEVQVRV-AWEZNQCLSA-N	232.367	4.638	0	10	BJAE	
CN(C1CCCCCC1)C1CCC(C2CC2)CC1	2218880333	KAVKHVINRSTRSO-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
N[C@@H](CC[C@@H]1CC12CCCCC2)C1CCCCC1	2220301825	YEOMGCCENVSKLY-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC1(C)CC2(CCC2)C1	2221040313	NNKLDJFLUHFRNM-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@@H]2C[C@@H]2C(C)(C)C)CC1	2221613002	BQODVVZQVBJHCB-MPTYRVRUSA-N	249.442	4.523	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@@H]2[C@@H](C)CCC[C@H]2C)CC1	2221642281	CZYWTFBLVQXKCP-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CN(CC=C1CCC1)[C@H]1CCC[C@@H](C(C)(C)C)C1	2222268751	QYYRHIQJFDDWJN-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
C[C@H]1CCNCCC1=CCCCCCCC1CC1	2223109082	HPQWONFRLAIVGU-HNNXBMFYSA-N	249.442	4.683	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@H]1C[C@H]2C[C@@H]1C2	2223115646	YOQKFEKCNQXOCH-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)CC12CCCC2	2223132976	QOFZZJONKONHKO-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCCC[C@@](N)(CC)c1ccc2occc2c1	2224168708	BJWPVQRCZQJRKV-INIZCTEOSA-N	245.366	4.577	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)c1cccc2ccoc12	2224179718	DHGWFSBXSKFZKD-ZFWWWQNUSA-N	245.366	4.505	0	10	BJAE	
CCCC[C@](O)(CC)CCCC[C@@H]1C[C@H]1C	2243032819	CCFWAYKNGFLESM-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cc(C)ccc1Cl	2244774686	IBPVWGLYGJLCPJ-FZMZJTMJSA-N	240.774	4.508	0	10	BJAE	
CC[C@H](CC[C@H](C)CCCC(C)C)[C@@H](C)O	2244844868	HVMXPXPGYDBBGC-RBSFLKMASA-N	228.420	4.636	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)CCC(C)(F)F)C1	2246654415	AXRQLQVVIRTVNJ-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(CC)C(=O)CCCCC[C@H]1C[C@@H]1C	2248815370	OYDBYIBZAFYAPL-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)CNc1cccc(C2CC2)c1	2250377346	DFQAAFLBNSYZJM-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
CCC(CC)[C@H](N)CC[C@H](C)CCCC(C)C	2250479899	ZMLBZAANIZQDQQ-GDBMZVCRSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@]1(C)C[C@@H]1C	2250482453	UDNWNTLBFGHHSN-OFQRWUPVSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@@H](N)CC[C@@H](C)CCCC(C)C	2250486290	QSDYSEWJZDRCQT-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C)N(CC)CC[C@@H](C)CCCC(C)C	2250516083	FTBOFKLVCBUQLT-JKSUJKDBSA-N	241.463	4.959	0	10	BJAE	
CCCC[C@H](CC[C@@]12CCC[C@@H]1CC2)NCC	2251191041	ZARZRBFFPXLKOQ-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251706255	BYNBHYIXDBKCSJ-BFHYXJOUSA-N	240.431	4.636	0	10	BJAE	
CC=C(CC)[C@H](CCC1CC(C)C1)NCCC	2251757806	SFKVAVSVGBZJHV-XUJLQICISA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1ccc2ccsc2c1	2253066646	AZKGNXCJCFBMSH-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C[C@H]1CCCCC12CC2	2253821942	RQSIFVDWJJCUGC-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
O=C(CCC1CCCC1)CC[C@H]1CCCC12CC2	2255312238	FUUAQKSZHDBWTP-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCc1cccc(F)c1N[C@H](CC)[C@H]1CC1(C)C	2256141290	GDGDZYPKWFXYEU-TZMCWYRMSA-N	249.373	4.625	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cccc(C2CCC2)c1	2259450171	YUVCHNYJEYPEOV-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CC1CC2(C1)CC(C[C@]1(N)CCC[C@H](C)CC1)C2	2259576734	OVJCLOWZTLKQND-VGGKZCFMSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@]12CCCC[C@H]1CC2	2260495855	ZTWTXLXFVKXDCT-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@@]12CCC[C@@H]1CC2	2260509301	USZKYEWQIXFRHU-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@]23CCC[C@H]2CC3)C1	2260673097	QTFXTYPEOIUNPU-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)[C@H](C)CC1CC1	2298852084	MBSOHOGLIJSFFW-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC)N(C)[C@@H](C)CC1CCC1	2298871421	SGIVBQSJDINVEY-GOEBONIOSA-N	239.447	4.856	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC1(C(C)C)CCC1	2300501844	SFSQXSDFQKBKKM-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H]1CC[C@@](C)(CCC(CC)CC)C1	2300687898	HNDUKUXBXXNLMF-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
Clc1ccc(C2CC2)cc1NCC1=CCCC1	2300694828	KSKWAFRUTPFEIV-UHFFFAOYSA-N	247.769	4.740	0	10	BJAE	
CCC(CC)CC[C@]1(CN)CC12CCCCC2	2300697594	QOBSGWLIRKQTGF-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCC1CCC(C(=O)[C@@H](C)[C@H](C)C(C)C)CC1	2301836572	NMGRXVZDPFCVOF-DNDYEEKYSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@@H](C)[C@H](C)C(C)C	2301843499	JUERCFXFFNFJOU-FXUDXRNXSA-N	241.463	4.719	0	10	BJAE	
CC1(CCCCC2=CCCCC2)CCOCC1	2302348825	IGFGQJODIWCGFL-UHFFFAOYSA-N	236.399	4.864	0	10	BJAE	
CCCC[C@H](CCCCC1=CCCCC1)NC	2302357255	WKUWHZYRKYQRSV-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CC1(C)CCC(O)(C[C@H]2CCC(C)(C)C2)CC1	2302893293	TZYCYOQXLBNEIK-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@]1(O)CC[C@@H]1CCC(C)(C)C1	2304399553	NXBVCGYLZFHETL-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@H](CC[C@H]1CCC(C)(C)C1)NC	2304409305	HTDXTLSWZLBJSH-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC[C@@H]1CCC(C)(C)C1)NC	2304436917	OGXZIUIFURJTAT-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@H]2CCC[C@@H]3C[C@H]23)CCC1	2310752971	UJPCTHNAQUBMMC-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2311525548	WDZGYUSZIQAKIM-MKVSYHDVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1C[C@@H]1C[C@H]2CCC[C@H]1CC2	2317009241	INNGOEDCSDUKJV-QMHWVQJVSA-N	248.410	4.598	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@]12CCC[C@@H]1CC2	2317946517	XAOCLGSJRVGRAO-WBVHZDCISA-N	246.394	4.807	0	10	BJAE	
N[C@@H]1CCCCCC[C@@H]1CCCC1=CCCCC1	2318538591	JHLYGNFSXQWXMT-IAGOWNOFSA-N	249.442	4.955	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CCCC1=CCCCC1	2318551040	LWPJRTVSOCTEQL-IAGOWNOFSA-N	249.442	4.955	0	10	BJAE	
CCc1cc(F)ccc1NC[C@@H]1CCC(C)(C)C1	2319013511	OAXKJMBEPIHLJD-GFCCVEGCSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CC[C@H](C[C@](C)(N)[C@]23CCCC[C@H]2C3)C1	2319027080	POPQDVFJHLAVRA-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](O)C[C@H](c1ccccc1)C1CCCC1	2319679827	KBTJYBFAABKNBG-DLBZAZTESA-N	246.394	4.512	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCCC(C)(C)C2)CC1	2320339381	DGHDNFLYBBBRLS-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC1(N)C[C@H]2CCCCC[C@@H]2C1	2320380596	CIWURBKPJIVZMW-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCN(C[C@@H]2CCC(C)=C(C)C2)CC1	2320388775	TZXUYFSCUSSTKZ-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@](N)(CC2CC2)C2CC2)C1	2320615898	CHUWQSUIVMWODA-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CC1)C(=O)c1cccc(C2CCC2)c1	2320657131	KNQOHGVKUZWYLR-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CCC[C@@](N)(C1CCCC1)[C@@H](CC1CC1)C1CC1	2320773845	YPAUFPMWPJYQOF-DLBZAZTESA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@@H]2CC[C@H](C)C2)c1	2327698607	DTYWAVSCICZDBP-QEORTHHSSA-N	245.410	4.554	0	10	BJAE	
C(=C1/Cc2cccc3cccc1c23)\c1ccccc1	3184461	ZBCKEAJECHXQIL-ATVHPVEESA-N	242.321	4.937	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@@H](C)C(C)C)cc1	20522740	LGKJOESIUSGOJV-KBPBESRZSA-N	233.399	4.505	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc(SC)c1	20556964	ZFLFROYGYLSHKS-GFCCVEGCSA-N	237.412	4.789	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccc(Cl)cc1	21009093	WLJVVVFQBJMVDT-LLVKDONJSA-N	225.763	4.577	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2cccc3ccccc23)C1	21520478	NIWPQSGSJKBLQK-HIFRSBDPSA-N	239.362	4.830	0	10	BJAE	
CCCCC[C@@H](C)NCc1cc(C)c(C)cc1C	34991297	RUFTYWVDYQBKDT-MRXNPFEDSA-N	247.426	4.670	0	10	BJAE	
CC[C@H](C)CN[C@H](C)c1ccc(CC(C)C)cc1	36954607	CIYJCKURORQCFK-LSDHHAIUSA-N	247.426	4.582	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)c1cccc(C)c1	37267266	PDGWJQMMWVEWRL-HUUCEWRRSA-N	233.399	4.614	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CC[C@H](O)c1ccccc1	80479912	OWBWNJGLODMOBE-INMHGKMJSA-N	246.394	4.717	0	10	BJAE	
CCCCCC(C)(C)[C@@H]1CC[C@H](C)CC1=O	82865419	BREOHNSKPWYLCU-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@@H](C)CNC(C)(C)C	84129306	BNTBIQGPLFBDPP-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)C)C1CCC(CC)CC1	85079825	JEMOGVAONPODAU-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC/C=C\C[C@H](CC)c1ccc(C)cc1F	107509342	GRFLOEHCRJQSRJ-FWWRYZNZSA-N	220.331	4.984	0	10	BJAE	
CCc1ccc([C@@H](C[C@H](C)C(C)(C)C)NC)cc1	111647818	WTOUISAATILJFH-XJKSGUPXSA-N	247.426	4.582	0	10	BJAE	
CCCCC[C@H](NCC)c1cc2ccccc2o1	112901011	KOLMCIPCQFJTQU-AWEZNQCLSA-N	245.366	4.664	0	10	BJAE	
CCCN[C@@H](C1CCCCCCC1)C1CCC1	127728209	YXDDQPXPTMNYHN-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC1(c2cccc(Cl)c2)CCCCC1	143454707	BBTJXFSNGHBXDG-UHFFFAOYSA-N	208.732	4.562	0	10	BJAE	
CCC(CC)CC(CC)(CC)CNCC(C)C	149112487	BQGSGSUFMPHTBG-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cc2ccccc2s1	157334782	FJCTYFSPMMMJMW-CYBMUJFWSA-N	248.391	4.761	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)CC1CCCC1	163391030	GLXYHRFPWUWBLP-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC(Nc2ccsc2)CC(C)(C)C1	168296487	ISLZQEWKPXWGJY-UHFFFAOYSA-N	237.412	4.765	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)c1ccccc1C	169127778	HKBLHHBMEWMUAQ-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCCCCc1csc(Cl)c1	197981370	UCEFUQDZTMPXFQ-UHFFFAOYSA-N	202.750	4.524	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCC=CCCC2)cc1	201223138	VUVDWQNCVMTGAV-HNNXBMFYSA-N	242.362	4.704	0	10	BJAE	
CCCNC/C(=C\C(C)(C)C)C1CCCCC1	211495612	TUUWIQMSMRSLOL-NTCAYCPXSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CC[C@@H](C)C[C@@H]1C	226179637	PXPIVYUTQXYQIR-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@@H]2CCC23CCCCC3)ccc1F	230169876	OONCPANMSKVUTO-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
Cc1c(N)cccc1-c1ccccc1C1CCC1	232216746	FBHDPLKLHXLEAF-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCC[C@H](C)C(=O)[C@H](c1ccccc1)[C@@H](C)CC	233325318	AJQISFKUFRIGCG-DZKIICNBSA-N	246.394	4.822	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C1(C)CCCCC1	233524188	WFZYMOACUIQZIA-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)C[C@H](C)CC(C)(C)C)C1	252904990	REPVYNQJBVWGJP-QPSCCSFWSA-N	240.431	4.636	0	10	BJAE	
CCSc1ccc(-c2nc(C)c(C)s2)cc1	259105995	AXIWAPPQFJVEGZ-UHFFFAOYSA-N	249.404	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](NC)C2=CCCCCC2)C1	300132525	GIZYNELIDZCKTO-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@@H]1CCC[C@@H](C)C1	300137163	LCYUNNJQCHKLLB-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C(C)(C)c1ccccc1	305923600	MUWXCNXGUXAHCT-OAHLLOKOSA-N	247.426	4.508	0	10	BJAE	
CSc1cc2sc(Cl)cc2cc1Cl	306600697	UCOZSYRMUYWOHS-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
Fc1ccc(Cl)c2sc(C(F)F)cc12	307500293	MLRGPZNGOBACFM-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)c1ccccc1CC	308008461	GUMMTMBROWPRNR-WBVHZDCISA-N	248.410	4.745	0	10	BJAE	
CC1(C)CC[C@@H]1Nc1ccc(Cl)cc1Cl	308805029	MDXMSGJGCRKXBP-NSHDSACASA-N	244.165	4.594	0	10	BJAE	
CCC(CC)(CNCC(C)C)[C@@H](C)CC(C)C	310102951	LXWDUTALEZJLOD-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1C[C@H](C)c2ccccc21	310838533	LVBXZNXNEGZVLM-WSMBLCCSSA-N	245.410	4.649	0	10	BJAE	
CN[C@H](CCC(C)(C)C)c1ccccc1C(C)C	311023186	CQSNELZAVIIEGI-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
Cc1ccc(NC[C@H](C)C2CCCCC2)c(F)c1	311123875	ZYOMDVXJZVDRSS-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
CCC[C@H](C)CC1(CNC)CCC(CC)CC1	317157235	JBLIOOQMWUJWNY-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CNC[C@@]1(CC2CCC(C)(C)CC2)CC=CCC1	317928800	UWUWRKQIJFSYAU-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCCC2)CCC[C@@H](C)C1	318590932	LXNWDMNMVNXDAG-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC[C@@H]1CC)C1CCC1	322483998	VAAYHAWQWIKTPV-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc([C@@](C)(N)CCCC(C)(C)C)cc1C	380586244	BZOMCEGTQKVBCI-KRWDZBQOSA-N	247.426	4.694	0	10	BJAE	
Cc1cccc([C@@H](N)CCCCCC(C)C)c1C	383220614	COWSRCUQSJOCSA-KRWDZBQOSA-N	247.426	4.910	0	10	BJAE	
CC[C@@H](N[C@@H](C)CC(C)(C)C)c1cccc(C)c1	384446056	HXBYRAUYNJRACQ-GOEBONIOSA-N	247.426	4.860	0	10	BJAE	
C[C@H](CCCC(=O)C(C)(C)C)c1ccccc1	384849654	FNAMGNZZLNGLTJ-CYBMUJFWSA-N	232.367	4.576	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2CCCC[C@H]2C)C1	395040196	CYJVOUKSGMULCE-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](CCC)C(C)(C)C	395324799	ORTQYQWNWXFHOC-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCc1sc2c(S)cccc2c1C(F)F	396240977	LHTXXPLTCDHTDL-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)[C@H](C)C(C)(C)C)c1C	399219647	YCBDHDBXXNKGAA-GOEBONIOSA-N	247.426	4.602	0	10	BJAE	
C[C@H](C(=O)CC/C=C/c1ccccc1)C(C)(C)C	399305690	KGNYJELRQGCVNY-CEFACKQISA-N	244.378	4.731	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@H](C)C(C)(C)C	399306535	KMVBVOQPMXTUSJ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CC=CCC2)ccc1Cl	402166620	VAZQXSPAYRHGDY-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2CC=CCC2)CC[C@@H](C)C1	402383697	IVDZLVMHZCLDEB-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](CC(=O)C(C(C)C)C(C)C)CC(F)F	688873836	JLKLWJSGPXTRTQ-NSHDSACASA-N	248.357	4.555	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)c1cccc(C(C)(C)C)c1	691656715	XZJOAEAVSKINFW-WOSRLPQWSA-N	247.426	4.666	0	10	BJAE	
Cc1ccc(NC2C[C@H]3CC[C@H](C2)C3)cc1Cl	697698027	GRAUWTULLUOJQZ-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
Cc1cc(C(=O)[C@@]2(C)CC[C@H](C)C2(C)C)oc1C	699078430	PNHSJQFRCLXHEI-MEDUHNTESA-N	248.366	4.542	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@]1(C)CC[C@@H](C)C1(C)C	699087924	GYJQYNRZMJEPDC-FQLMCAECSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1cc(C(C)(C)C)ccn1	699606933	BURZHAZGHTVJDL-LBPRGKRZSA-N	248.414	4.616	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@]1(C)CC1(C)C	702187384	PRSYJJTUVUBXSH-WFASDCNBSA-N	224.388	4.598	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)c1coc2ccccc12	704567217	IBPGXCNGIXRXOI-IAQYHMDHSA-N	246.350	4.539	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCCC23CCC3)CC1	704828665	MLKKXSFRTPTLFJ-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCCC12CC2	706211954	DHJFPIOVNNWFOA-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@@H]1CCCC12CC2	706300864	YWEYMVHYGXPHRP-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC23CC3)c1	706593442	ZTGKHJNNIUOPAR-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
CC[C@](O)(C[C@H](C)CC(C)(C)C)[C@@H]1CC1(C)C	709147319	BYKRJWNIOMJWGL-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC([C@@H](N)C23CCC(CC2)CC3)CC1	710261100	DTVIILJPSQWVHT-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cs1	710760963	VWGPQONENXXZJJ-ZYHUDNBSSA-N	237.412	4.683	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(O)CC1CCCCC1	713034000	WPKIHXLRHWYWGF-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c(C(=O)CC(C)(C)C(C)C)c(C)c1	713370507	FPLGOQIGWHTRAX-UHFFFAOYSA-N	246.394	4.867	0	10	BJAE	
C/C=C/C[C@@H](CC)c1ccccc1Cl	714521916	PIWGNTBVWZOORW-JOAKQRRISA-N	208.732	4.800	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)(C)CC1=O	717529422	AAJZYCDGGOOQRI-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC(C)C(C)(C)CSc1cccc(Cl)n1	718862124	FNHYWGSIBQHBJB-UHFFFAOYSA-N	243.803	4.509	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCCCCC2(C)C)c1	719259490	JYBRYKGGGGIQNZ-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CCC[C@H]2C[C@H]21	720994024	UJXYRHICYGRREW-YLFCFFPRSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CC[C@@H]2CCNC23CCCCC3)CC1	721035734	HANJLHVSWRXALD-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCCC[C@H](NC)c1c(C)sc(C)c1C	722498769	YNGKELXKCBXHQJ-ZDUSSCGKSA-N	239.428	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC1(C)C)C(C)(CC)CC	722679509	JRRNADIOHRTMCO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](C[C@@H]1C[C@H]1CC)NCC	723071516	SBFMMHWHNXAORZ-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	723109040	MMLBQOIYPSUXHB-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
Cc1c(Cl)cccc1CC1CCCCC1	822256338	LZLLXGZMLOXODT-UHFFFAOYSA-N	222.759	4.771	0	10	BJAE	
CCCC[C@H](C)N(C)Cc1ccc(C2CC2)cc1	1652598864	WVODSGNXRXMPBY-AWEZNQCLSA-N	245.410	4.575	0	10	BJAE	
CC(C)C[C@@H]1CCCN1C[C@@H](C)CC(C)(C)C	1653295316	JUBQCTRRTACXBX-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
C=C/C=C\CCN(C1CCC(CC)CC1)C1CC1	1657004833	DQZRZHAHTZMRAR-WAYWQWQTSA-N	247.426	4.552	0	10	BJAE	
CC(C)[C@@H](C)N(Cc1ccccc1)[C@H](C)C(C)C	1880412788	CLCFZKZYLSMFOT-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1CCCCCC1	1901059296	UQWUXYILIOPJHO-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CNc2csc(C)c2)CC1	1902849645	CKODAXFZKWJJOI-CYBMUJFWSA-N	235.396	4.605	0	10	BJAE	
CCC[C@H](CC)COc1cc(C)cc(C)c1	1905291667	FSAJFDOVMFHPTH-AWEZNQCLSA-N	220.356	4.509	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H](C)CCC(C)C	1905307473	FLCGFQDZALEYKX-GJZGRUSLSA-N	227.436	4.569	0	10	BJAE	
CCC[C@H](CC)COc1ccc(C)cc1Cl	1905447284	WKHFWYHNVCILEX-LBPRGKRZSA-N	240.774	4.854	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](CCCCCC(C)C)NC	1910623715	AVOJLCHXAQIKSK-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	1911826515	DJINSGDQFMRHKF-ARFHVFGLSA-N	246.394	4.684	0	10	BJAE	
CC=CC[C@@H](C)c1ccc2c(c1)CCCC2	1911889669	GNAMXQVOBULZOO-CYBMUJFWSA-N	214.352	4.635	0	10	BJAE	
C=CC=CCC[C@@H](CCC1CCCCC1)NCC	1912108166	XIUPRISBXLOPBT-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
C[C@H](CC1(O)CC2(CCCCC2)C1)C(C)(C)C	1912708528	KPMQNTTTZKEBFJ-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
N[C@@H]1CCCCCCCC[C@H]1C[C@H]1C=CCCC1	1913384743	QWDUCCUNBUTRNW-YESZJQIVSA-N	249.442	4.811	0	10	BJAE	
CCCC=CCNC1CC(C)(C)CC(C)(C)C1	1914679033	BQNWCKCKYZUFRN-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](N[C@H]1CCC2(CCCC2)C1)C1CCC1	1916397825	MKDOEHHWNJYWFD-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC3(CCCC3)C2)c1F	1916435835	GFUOLMGJFFFSLR-CYBMUJFWSA-N	247.357	4.659	0	10	BJAE	
CC(C)NC[C@]1(C2CCCCCC2)C=CCCC1	1916602160	IHGMZMZXHXCCHR-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@@H]1CCCC12CCC2	1921614967	JUDFREXMWQIHLN-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@@H]1CCCC12CCC2	1921631559	ZYULWDIBWKSIRD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Fc1ccc(Cl)c(C[C@@H]2C=CCCCC2)c1	1925815934	BDPNJZDAGJJFBC-LLVKDONJSA-N	238.733	4.768	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1(C)CCCCC1	1935605750	KOJBCSPPLQZZHF-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCCCC[C@@H](N)CC1(C)CCCCC1	1935621879	AOHYRJAHBJYYDL-CQSZACIVSA-N	225.420	4.645	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)c1cc(C)cs1	1939458474	MCNDJIXNXCJCIJ-JSGCOSHPSA-N	239.428	4.519	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)C(C(C)C)C(C)C	1940243066	JOTFANRKURJGAP-INIZCTEOSA-N	240.431	4.802	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@H](C)CCC(C)C	1942653529	RGJYTBMZLITJOH-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@@H]1C=CCCC1	1947584554	ALASIENYFVKNNG-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC[C@H](N)CC1CC2(CCC2)C1	1949738812	VZMMGFLNAOZBRD-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CCC1(CO)CCCCC1	1950373466	TWQUUWZSJFVSQI-HNNXBMFYSA-N	240.431	4.926	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CC12CCCCC2	1950604433	KIUBBMHRNRHZCZ-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(CO)CCCC(C)(C)CC1	1950911311	NPCIJODIIHRBAU-HOCLYGCPSA-N	240.431	4.638	0	10	BJAE	
CC(C)c1nc([C@H]2CCC[C@H](C)C2)cs1	1961018395	JLGSOQVOCCWQJE-QWRGUYRKSA-N	223.385	4.560	0	10	BJAE	
C[C@@H](N[C@H]1C[C@@H]2CCCCC[C@@H]2C1)C1CCCC1	1967758048	YBANTRSFQHTHCP-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(N[C@@H]2CCCCC23CCC3)CC1	1967790100	BPJLOLCXGAZZFC-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H]1CCCCN1C[C@@H]1CCCC2(CC2)C1	1970603156	AIIDONZAGNEYPG-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC(C)CN(CC[C@@H]1CC1(C)C)c1ccccc1	1970692184	QGBSTMIRAJOSKC-OAHLLOKOSA-N	245.410	4.585	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@H]1NC1CC2(CCCCC2)C1	1972430527	STZYAGDMNWXYBN-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC(C)(C)C)CC1	1976342914	QZXCEIVGPMJAOS-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@](C)(CN)CC1(C)CCCCC1	1978625163	DOOBNPGCOJBNCP-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)CC1(C)CCCC1	1980384073	ZXYPDAICDJOBOR-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCCC1CC(Nc2c(C)cccc2Cl)C1	1984692318	MPOHIDNJJKNCLP-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)C(C)(C)CC	1989855206	KSCPWZJHKGLJMC-DZGCQCFKSA-N	227.436	4.747	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)C1CCC(C)(C)CC1	1996546275	INTNQRBVVRZITJ-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@@]1(C)C[C@H]1C	1996563903	KSNDJCQKRCMJOU-IUODEOHRSA-N	249.423	4.645	0	10	BJAE	
CC[C@@](N)(CC1CCC1)C1CCC(C)(C)CC1	1996595623	XLDZRLKRZSQXOQ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CCC[C@H](C)CC1	1997118485	XWSYDLGSFMQWGM-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)CN(C)[C@@H]1CCC[C@@H](C)CC1	1997209875	ZHCXUEVPQOPKQQ-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@H]1CC=CCC1	1997545223	ARBRFWUWAYMFPS-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@@H]1CCC=CCCC1	1999992868	IWOIQNLLSBDLNQ-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC(C)(C)C(C)C	2000193091	GACNPJMVZVGPLV-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCCCN(CCC=C(C)C)c1ccccc1	2000909169	IPVSFHSPXFISHT-UHFFFAOYSA-N	231.383	4.649	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C[C@H]1CCC12CCC2	2001851959	QUKNGQRXUPCHEB-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](N)(CC)CC1[C@H]2CCCCC[C@H]12	2002206741	FHKPPPWKCATXLD-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@](C)(O)C1CCC(CCC)CC1	2002924639	KHDOTWYXAYRUNP-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)CCCC2CCC2)C1	2003012802	CGCHJZNCQASFSD-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC1CC([C@H](C)NC2CCCCCCCC2)C1	2003096401	XEJULVZZZBDUBO-SLTAFYQDSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1CCCCCCC[C@@H]1O	2003118506	SANAUZQOODIWJE-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CN[C@@H]1CCCCCCCC[C@H]1CC=C(C)C	2004228276	OUCDWSYBJINDPF-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CCCCC23CCC3)cs1	2005565906	VDCCIVFFEPIDDP-CYBMUJFWSA-N	248.391	4.600	0	10	BJAE	
CCC(CC)C[C@H](O)[C@H]1CCCCC12CCC2	2005600824	OQCKFJBQVKUYKT-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC)C[C@H](C(CC)CC)C1	2006623618	KTBVLYQJFCYTNF-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)cc([C@H](N)C=C2CCCCC2)c1	2007945824	UWCCQARJNGEQOF-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CCC(F)(F)CC[C@@H]1CCC(C)(C)CCC1=O	2009404241	LTFHTQYODRYHHJ-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC(C)CCCCC[C@H]1CC[C@@H](C)CCC1=O	2009404323	MJFFQWOOXXOXAP-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H](C)CCCC	2009598759	RKHRUMDTRGDRJL-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H](C)C1CCCC1	2009616168	GMTFYVNFFCDQOY-UKWDMRDTSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCC1(CN)CCC(C(C)C)CC1	2009619671	NQWKOZYRCLFLAO-SNAWJCMRSA-N	237.431	4.524	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C1(C)CC(C)C1	2009620778	YANYXRVASROZLZ-MDRAIJTLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCC1(CNC)CCCCCCC1	2009630393	WKQPDPJIAOEJNU-ONEGZZNKSA-N	237.431	4.683	0	10	BJAE	
CCCC1CC(NCC2CCCCCCC2)C1	2009786662	LFRCXYTYHRBZBF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C[C@H](O)CCC[C@H]1C[C@@H]1C)C(C)(C)C	2011560951	GULOADUAYRLODH-BYNSBNAKSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)C[C@@](CC)(CNC1CC1)C(C)C	2012420924	GWJLAARMXGQRMT-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@](C)(O)CC12CCC(CC1)CC2	2012819637	NWAYEDMPZZOTDP-PCKAHOCUSA-N	238.415	4.534	0	10	BJAE	
CCc1ccccc1N[C@H](C)C1(C)CCCC1	2014337145	ITZSHLXNOABEHG-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)[C@@H]1CCC1(C)C	2014934572	LENUJECDAUGROV-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)c1cc2ccccc2s1	2015278306	NBLRQWQOMSGACG-DGCLKSJQSA-N	248.391	4.617	0	10	BJAE	
CC(C)C(CCC(=O)C1(C)CCCC1)C(C)C	2015394846	SHICETLUTYYRNN-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C[C@@H](C)C(C)C	2015407450	AXRLJWCJKHPKHX-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H](CCCC(C)C)NC)CCC1	2015643810	GRVVARRIEUMKND-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@@](O)(CC2(C(C)(C)C)CCC2)C1	2017113693	CUZKCJILEHMMRD-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@@H](N)CC2(C(C)(C)C)CCC2)CC1	2017146627	VBQUYQBRVCENGL-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCCNC[C@H]1CC[C@H](CCC)CC1	2017655243	KZFJBQDHYZSGRW-GZTOUOFCSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@H](O)CC(C)C)CC1	2017711707	GYCABPSOVITWMW-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CC[C@@](C)(CNC(C)C)C[C@H]1CC[C@H](C)CC1	2017723174	JHALHZMMQSVVAD-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCNCC[C@H](C)CC1CCC(CC)CC1	2017734255	QLKBZNDYVVXSMZ-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CC(C)(CC(=O)C[C@H]1CC[C@H](C)CC1)C1CC1	2017766362	KVVUQSCCLYLCEA-JOCQHMNTSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2C=CCCC2)CC1	2017776602	RABMPLOAGKIAAS-NRXISQOPSA-N	234.383	4.518	0	10	BJAE	
CCC1(CC(=O)[C@]2(C)CC[C@@H](C)C2(C)C)CC1	2018951109	ZNXFWHILFIVGTI-DOMZBBRYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1[C@@H](C(C)=C(C)C)CCCC1(C)C	2020351996	PEGXDJXMEVHMQR-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2022414091	ZILOEIZGJZNGLN-SWVJOTTGSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2022992837	LMCJMWYBJLWKTC-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2022994428	QNPUZLVZBIXNKZ-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CCCCC(C)(F)F	2023343267	BMCADJBSGOPJBB-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CCCCC(C)(F)F	2023345781	KERBEERRJBGBQX-QWHCGFSZSA-N	249.389	4.602	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@H]1CC(C)(C)CC	2023607851	RBZPMFRISDCHFB-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc2c(Cl)c3c(nc12)[C@@H](C)CCC3	2023998801	PZYPNAHEXMBHLW-JTQLQIEISA-N	245.753	4.636	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC(C)(C)C1(C)C	2025067962	MXKKELMIEKSLJB-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C[C@H]2C=CCC2)cc1C(F)(F)F	2026349601	NKTIZOGWIUAMIS-NSHDSACASA-N	240.268	4.523	0	10	BJAE	
CC1(C)C[C@@H]1Cc1nc(C2CCCCC2)cs1	2026600164	ZAPBZVPDQJYGLM-LBPRGKRZSA-N	249.423	4.779	0	10	BJAE	
CC(C)(C)C1CCC(C=CCCNC2CC2)CC1	2028114298	FMVMRYWATAPSEI-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)c1ccccc1C(C)C	2028253360	WAXNTCIIAXUUCS-WBVHZDCISA-N	247.426	4.882	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1cccc(C2CC2)c1	2028552803	SLKZUOFDMLQBPC-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCCC1([C@H](O)c2ccccc2C2CC2)CCC1	2028562407	KLQJKZOJXXOMQU-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CC[C@](O)(CCCCCC1CC1)c1ccccc1	2028618749	JIJLXRUJFBCAQQ-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CCN[C@@H](C=C(C)C)c1ccccc1CC(C)C	2028914217	DIYSUBCMCWTAKV-KRWDZBQOSA-N	245.410	4.502	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(N)[C@@H](C)CCC(C)C)c1	2029822682	FBXDDVYSDFGHHN-RDJZCZTQSA-N	247.426	4.550	0	10	BJAE	
CC(C)[C@H](NC1CCC2(CCC2)CC1)C1CCC1	2032258184	URIAWMFMZFQFMW-INIZCTEOSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC1(CNC2CC2)CCCCC1	2032515201	QRGDBMADHRLALC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCC1)c1c(C)coc1C	2035532978	RNGUVMPKSPPXJJ-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	2036659396	BPNNPFBXWCIGMY-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)[C@@H]1CCC2(CCCC2)C1	2037597030	ZOEXMVNAFKOPLQ-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](Oc2cccc3ccccc23)C1	2037683470	SNTZAVPOGIGDOC-CQSZACIVSA-N	240.346	4.797	0	10	BJAE	
CCN[C@@H]1CCC[C@H]([C@@H]2CCC3(CCCC3)C2)C1	2037697001	DFIMZDZODNWFSL-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc([C@@H](C)C3CCCC3)[nH]c21	2038001041	XHOUVQRHOMSAQS-TUAOUCFPSA-N	246.398	4.704	0	10	BJAE	
N[C@@H](CC1=CCCCCCC1)CC1CCCCC1	2038167312	UQCMHRQXOBEEMT-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NC1CC2(CCC(C)CC2)C1	2038941657	VNEAOMOREJNMID-VFMGQHTLSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)[C@@H]2CC23CCCCC3)CC[C@H]1C	2039012625	QPNNFDBRMAAEQW-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)[C@H]2CC23CCCCC3)C1	2039079059	NQBSGJWVCWWZGQ-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1C(=O)[C@H]1CCC[C@H](C)CC1	2039376660	SGJCMUUXTCCSQB-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)C1=CCCCCCC1	2039433156	AEMNEZJVIQWIJZ-BHYGNILZSA-N	247.426	4.587	0	10	BJAE	
C[C@@H](N[C@H](C)C1(C)CCCCC1)c1ccccc1	2039862497	OKCFTFYYFNQILQ-HUUCEWRRSA-N	245.410	4.696	0	10	BJAE	
CCN[C@H](C1CCC(CC)CC1)C1(C)CC=CC1	2042018307	DEMALWZZEOYPIG-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@]1(C)CC=CCC1	2042025781	YNFCKAVSEVYWBI-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](NC)[C@@]2(C)CC=CCC2)C1	2042026215	BWJLDYGYQSXOAN-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)CC(C)(C)C3(C)C	2042333050	NZEWXFGTMITZFO-UHFFFAOYSA-N	241.378	4.645	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@H](C)CC2=CCCCC2)C1	2043189858	DWJCOMUUGKTLLD-DLTWYDFYSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@@H]2CCC=CCCC2)C1	2045306749	BVHQJOMRSQEZKU-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
OC1(C[C@@H]2CCC=CCCC2)CC2(CCCC2)C1	2045342268	HSKGAPXKBIQBGX-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](c1ccc(C)cc1)C1(C)CCCCCC1	2045720420	CACYNCZXEQTOOD-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCC[C@@H]1CCCN(CC2CCC=CCC2)CC1	2046575150	MFRYCVBUDSMDDY-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC(C)(C)NC[C@@]1(CCC2CC2)CCC12CCC2	2047944127	WHJHCBRFRSYZGD-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@@H]1CCC12CCC2	2047958844	LVAJRTOFHXTNCN-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CC2)C1)[C@@H]1CCCC(C)(C)C1	2049533467	RGBCHPIQQVZNNV-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)C[C@H]1CCCC2(CC2)C1	2049859056	SIPDAQIRDALPDA-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H]2CCCC3(CC3)C2)C1	2049952653	YWRDQWJXXZTAJR-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](NC[C@@]2(C)C=CCC2)C1	2049978648	HGMUFBYONKNXMV-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](N[C@@H]1C=CCCC1(C)C)[C@H]1CC1(C)C	2055539304	CFBLUGASHBYKQJ-QLFBSQMISA-N	249.442	4.536	0	10	BJAE	
CCC1CC(C[C@]2(N)CC[C@H]3CCCC[C@@H]3C2)C1	2056641100	VYCMAZBFLJWJSF-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C=C2CCCCC2)cc1	2056872290	BKFBLXBYYXQOJP-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
N[C@@]1(C=C2CCCCC2)CCCC12CCCCC2	2056911750	TWKTURDASANOSO-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1ccc(CC)cc1	2059224746	FJNLWETWLWHNNE-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CCCC1CC(N[C@H](CCC)c2ccccc2)C1	2059392185	NGCKDAKITOTDGV-BDVYOWHSSA-N	245.410	4.696	0	10	BJAE	
CCCNC[C@](C)(CC)CC1CC(=C2CCC2)C1	2061738500	COHAVUYZYBKQMG-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCc1ccccc1NC1CC(CC(C)(C)C)C1	2067983314	RFUNEZBUVOYXFX-UHFFFAOYSA-N	245.410	4.876	0	10	BJAE	
CC1(C)CC[C@@H]1CN[C@@H]1CCCCC12CCCC2	2068241507	DDEUNODRBMCREX-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2CC23CCC3)CC1	2069167390	HVZMWVLPUCDPBR-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCCC1(CN2C[C@H](C)c3ccccc32)CCC1	2069279658	ZLCNILVRSNSOSI-AWEZNQCLSA-N	243.394	4.581	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@]23CCC[C@H]2C3)CCC1	2069336567	BAQNZFLNEVHNSC-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(C(C)C)CCC1)[C@@]1(C)C=CCC1	2071945177	DHLBPSWOFRUXLT-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C[C@@H](N)[C@H]2CC23CCCCC3)CCC1	2071948524	FQXBFDMMTDBMCV-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2072428493	GGRLPOIOGOIPFI-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@](O)(CC)c1ccccc1C(C)C	2073339565	AIRUIBCTOVQGJR-QGZVFWFLSA-N	248.410	4.988	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc2[nH]ccc2c1	2073342010	NZUDGOHTSKVMGP-AWEZNQCLSA-N	244.382	4.939	0	10	BJAE	
CC(C)c1ccc(OC[C@]23CCCC[C@H]2C3)cc1	2074089835	GGOYPUTZBYAILL-DOTOQJQBSA-N	244.378	4.769	0	10	BJAE	
CCCC1(CN2CCCC[C@H]2C2CCCC2)CC1	2074587957	AALPEPNKKOMAAU-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC[C@@]1(C)CCCN([C@@H]2C=CCCCCC2)CC1	2074803878	DXVZIDWXNIRJGD-SJORKVTESA-N	249.442	4.778	0	10	BJAE	
CCCCN(C[C@@H]1C=CCCCC1)C1CCCC1	2076590088	UCVVFGQJBONSSO-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
c1ccc(C2CCC2)c(NC[C@@]23CCC[C@H]2C3)c1	2077263139	LLCYZAITSAYQHK-YOEHRIQHSA-N	241.378	4.556	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2C[C@H]2C(C)C)cc1	2079810401	BLIRAUMYHVQXER-LXZKKBNFSA-N	246.394	4.871	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)CCC[C@H]3CCCC[C@@H]32)C1	2081119616	WQRNXVDXZPPIIJ-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@]1([C@H]2C=CCC2)CCCC(C)(C)C1	2081682253	QQKSJKHIZRYPAH-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H](C)NCC1C2(CCC2)C12CCC2	2083559240	PUTIDLLUGJFJJT-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(CCNC2CCC3(CCC3)CC2)C1	2084916532	LVRGISBLRKPQSJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@]1(C)CC=C(C)CC1	2211857472	SBLWRTOWYBZFFH-DZGCQCFKSA-N	222.372	4.518	0	10	BJAE	
C[C@H]1CC[C@@H](CCCCCCC2CC2)C(=O)C1	2213577728	FIISVMQHMUBOJK-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)CCCCC2CC2)CC1	2214576891	AILUUZWTNIWXCN-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1ccccc1C(C)C	2215310325	CYAMMNPJMFVZJT-KBPBESRZSA-N	231.383	4.658	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CC1(C)CC(C)(C)C1	2215385449	IVSNOKFSLGJSBM-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(N)CCC[C@@H](C(C)(C)C)C1	2216253331	QUMWTZKXSQKAMG-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CCC(=O)CCC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216748004	SBDICKXBOJEHIS-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@]1(C)[C@@H](O)CCCCCCCC1CC1	2216882604	AWRVKQXBFJZDIN-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)[C@@H](C)NCCCCCCCC1CC1	2216884173	SGWNLHWPIRQBBX-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CCC(C)(C)C)C(C)(C)C	2217140543	YMIDPFBHLAAMMP-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@H](C(C)C)C1CCCCCC1	2217144614	HKBZUDXRAZRXQX-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218341528	XBRCRZWKLSJNFL-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc([C@@H](N)CCCCCCC2CC2)o1	2218729602	CCRMAGCXMPMKBC-HNNXBMFYSA-N	249.398	4.592	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1CCC2(CC2)C1	2218730877	KRRPTUYZPKUIOQ-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@@]12CCCC[C@@H]1CCC2	2220045617	KVEWOJNRIHDKFV-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1cccc2ccccc12	2220930399	VLPGNHUQBCJNGY-DZGCQCFKSA-N	239.362	4.688	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C12CCC(CC1)C2(C)C	2220964705	XFMWIEHKSWFKPX-GXZXJKLZSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)CC2CCC=CCC2)CC1	2221619254	OWUOVXNMXZNDRH-DLBZAZTESA-N	247.426	4.587	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2221644247	GACDWDMHWDBSMG-IVSAIRAKSA-N	246.394	4.518	0	10	BJAE	
C/C=C/CCCNC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222924059	YXODATHREYRNQN-MLNLMIINSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@@](C)(N)c1ccc2occc2c1	2224167979	HSVPVNXHYXNNQT-MRXNPFEDSA-N	245.366	4.577	0	10	BJAE	
CC[C@H](O)CCCC[C@H](C)CCCC(C)C	2244844937	ITFQRPPJBJGEPX-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CCCCC12CC2)NC	2246600318	YJCPYOKEHYRUBN-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CCCC[C@@H]2C[C@@H]2C)CC1	2247123174	WPWNFHPPTJCOHO-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H]1CC[C@@H](N)CC1CCCCC1	2247430922	HDPTVNXCZARCKH-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
Cc1cc([C@@H](N)CC(C)(C)C)cc2ccsc12	2248580522	ZEOQSALEEOODLJ-ZDUSSCGKSA-N	247.407	4.646	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)CCCCC[C@H]1C[C@H]1C	2248842952	SIUJPAVEQXJVAG-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CCCCC[C@@H]1C[C@H]1C	2248854988	QQZOFJKHJWILIA-ZJIFWQFVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1(C)CC2(CCC2)C1	2250371289	KXNAXRUMUVNHOV-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)C1CC=CC1	2250470039	VSYAQZMYEMXSHI-AWEZNQCLSA-N	236.399	4.764	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@H](CN)C(C)C	2250475092	PDTWEHNLOYNREE-HOTGVXAUSA-N	241.463	4.850	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@]12CCCC[C@H]1CC2	2251129050	RDOXUELIJUSAJB-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
O=C(CC[C@@]12CCCC[C@H]1CC2)c1cccs1	2251146989	WBXLIEFADCMFHG-WFASDCNBSA-N	248.391	4.681	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](O)(CCCC2CC2)C1	2251673192	HLCSXEWBRDQGBR-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](O)(CC2(C)CCC2)C1	2251675313	SMPXBLBOJIOCQI-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccc2ccsc2c1	2253056269	GUFNRWRATMJGLF-CYBMUJFWSA-N	248.391	4.761	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CC1(C)CC(C)C1)C2	2253658698	RPWNZRWMMOTZAD-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC1CC(C)(C[C@H](N)[C@@]23CCCC[C@@H]2CCC3)C1	2253767112	RSHNUVUGTALGSV-QFDKOSDTSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2c1N[C@H](C1CCC(C)CC1)CC2	2253867495	UCOBWVAEAGECJW-PXCJXSSVSA-N	243.394	4.548	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCCCC23CC3)cc1	2253878847	BSRNGSDVOYGVLF-HNNXBMFYSA-N	243.394	4.767	0	10	BJAE	
CC1(C)CC[C@@H](CC2CC3(CCCC3)C2)C(=O)C1	2254052628	BJOAZWFOGBKKJN-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)CC1CC2(CCCC2)C1	2254115814	QJUWEFCHNBDRCI-GDBMZVCRSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNc1cccc(C2CC2)c1	2254503949	GZBHNZRXAQTUJF-ZFWWWQNUSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC12CCC2)C1(CC)CC1	2255027793	WOQMXOMJDCKZDI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@@H]1CCCC12CC2	2255232197	FFMWVBISNIPOHP-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)[C@H]2CC23CCC3)c1	2256450809	FNAJLCVHJGZQGU-XJKSGUPXSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CCC2(CCC2)NC1	2257329019	RYIMCCSHUUOEHP-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)c1coc2ccccc12	2259442757	JGAHOWIPRVRFMC-WBMJQRKESA-N	245.366	4.520	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@]12CCC[C@H]1CC2	2260531437	BTVWFGNOJGTVIY-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C[C@]12CCC[C@@H]1CC2	2260584857	XKHXDSRYTOPPBH-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC(C(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2260584973	YNIMNKRXVLGFID-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2C[C@]12CCC[C@@H]1CC2	2260602832	KVUSHAQGMGSYIV-CKEIUWERSA-N	241.378	4.556	0	10	BJAE	
CCC1(C)CCC(NC[C@@]23CCC[C@H]2CC3)CC1	2260639013	QNCAPQIXZRNZDO-OTBWCIGPSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](Nc2ccccc2F)C1	2261386642	QJTIFQXREMUWRY-AWEZNQCLSA-N	249.373	4.843	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H]1C[C@H]1C(C)C	2297868327	ZDNJFFOZVWORHH-FMKPAKJESA-N	238.415	4.844	0	10	BJAE	
CC1CC(CC[C@@H](O)CC2CCCCCC2)C1	2301134373	XPIOYOAYLSIYRF-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](O)CC2CCCCCC2)C1	2301136684	ZXVDLBDHTYCJGV-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(O)CC1CCCCCC1	2301138334	UHQZGOOLMHCTNN-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC1CC([C@H](O)CC2CCCCCC2)C1	2301204266	JZVXUQBZHIUMLX-UYSNPLJNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CN(C)CCCC1=CCCCC1	2302341913	BJULFJSXOMJIFX-OAHLLOKOSA-N	237.431	4.635	0	10	BJAE	
CCNC[C@H](C)[C@H](C)CCCC1=CCCCC1	2302358228	DKLULRLNPARANL-CABCVRRESA-N	237.431	4.539	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)CCC1CCC1	2302358822	KMOPTMNTVGIJMR-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@@H]1CCC(C)(C)C1)NC	2302685217	MKKJXICKUCMBHM-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC[C@@H]3C[C@H]23)c1Cl	2302907094	IXRSJNALPXPZBP-AGIUHOORSA-N	249.785	4.639	0	10	BJAE	
Clc1cccc(NCC[C@@H]2CC[C@@H]2C2CC2)c1	2303158155	BQLAATIMIOFLJJ-SWLSCSKDSA-N	249.785	4.578	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303512661	WCTYBKMBSMWTTO-JHJVBQTASA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)c2csc(C)c2)CC1	2303523447	HUCOOJKBHRSXJX-HIFRSBDPSA-N	249.423	4.583	0	10	BJAE	
CCCCC[C@]1(CNCC)CCC(C)=C(C)C1	2303578643	FHCCXVCIQHJFOI-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CC[C@H](C)C[C@@H](CC[C@H]1CCC(C)(C)C1)NC	2304438528	XFOGVVHDJFFOND-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC1=CCCCC1)NC	2307819613	NYMYFBLJUTXANK-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)C1CCCCC1	2307895700	WRMVVXDUCPRINL-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1C[C@H]2C[C@@H]1C2	2315875663	ZJFWJLZBIQHWGU-VNQPRFMTSA-N	243.394	4.576	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1ccc2occc2c1	2316238608	NISKBGSEKWPPHI-OAHLLOKOSA-N	245.366	4.649	0	10	BJAE	
CC(=CC[C@@H](N)C1(C)CC=CC1)CCCC(C)C	2316501885	IBTKXPYOZRVVOO-MRXNPFEDSA-N	249.442	4.833	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1C[C@@H]1C1CCCC1	2316508718	DMYPQJSETRLNPY-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@H](N)c1coc(C)c1)CCCC(C)C	2316578433	GJTKXVLXIQSYHA-INIZCTEOSA-N	249.398	4.751	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316874058	POXKHURBVMQHNB-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1CCCC[C@@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316878260	MJUVYCXSOIWVDU-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCCCC1)[C@H]1C[C@H]2CC[C@H]1C2	2316885324	QEGYADRVYVIFQU-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@@H](C)[C@H](C)C(C)C	2317828008	OZVPBKNEIYLAJG-KEYYUXOJSA-N	247.426	4.738	0	10	BJAE	
CCC1(CN(C)CCCC2=CCCCC2)CCC1	2318578648	OKMSMMRYTYMUHD-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)[C@@H]1CCCC12CC2	2318595164	NBMWYOQIKKDSOH-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCC1CC1)CC1[C@H]2CCCCC[C@H]12	2318878876	PJAXDRHDCCUZHT-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
N[C@H]1CCCC[C@H]1CCC1C[C@H]2CCC[C@H](C1)C2	2319001772	WCSNUUNMGXXFCL-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC2(N)CCC3(CCC3)CC2)C1	2319324945	AZRUZRLXLNPUDB-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)(C)C1)[C@H]1CC=CCC1	2319327192	UJVRJHKPNBOPHH-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(CC[C@H]1CC[C@H]1C1CC1)C1CCCC1	2319727772	SQFDMEPUQYAZPA-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@H]1CC12CCCC2	2320321355	YSOOSIOZDJRTRS-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CCc1cccc(C(C)C)c1)NC	2320639468	KLEYYMOTCFMNDF-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CC(C)CC12CC([C@H](N)CC3CCCCC3)(C1)C2	2321595005	JPPSPOCVYVRIJY-KLAILNCOSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@H](C)C3CCCC3)(C1)C2	2321649654	GFTURRUOWIYQQN-NVPAJSRCSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccc(C=Cc2ccncc2)cc1	2326917652	RMVALFYPANKGJN-UHFFFAOYSA-N	237.346	4.550	0	10	BJAE	
Cc1ccccc1[C@H](C)Nc1ccccc1Cl	21054961	LZSFEUMNUVOJAW-LBPRGKRZSA-N	245.753	4.822	0	10	BJAE	
CCC[C@@H](C)Nc1ccc([C@H](C)CC)cc1	36953534	XODDYRASZGHVLE-CHWSQXEVSA-N	219.372	4.801	0	10	BJAE	
Cc1ccc(C(=O)CCC2CCCCC2)cc1C	37363170	JALFBAAPLFHHDO-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1Cl)C1(C)CC1	37468551	GMMCNGIWKSQITI-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
Clc1cc2ccccc2cc1-c1ccccn1	44138017	BWKSTOKHZMPCLM-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CCCCC[C@@H](NCC)c1cccc(Cl)c1	71085186	NTQPAIOUMZTZNS-CQSZACIVSA-N	239.790	4.571	0	10	BJAE	
C1CCC(C2CCC([C@@H]3CCCCN3)CC2)CC1	75905711	PMDIKXMRHPCZGU-JCYILVPMSA-N	249.442	4.515	0	10	BJAE	
CC(=O)c1cc(-c2ccc(C)cc2)oc1C(C)C	77078668	LLAGTVNFLYBKPZ-UHFFFAOYSA-N	242.318	4.581	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CC(C)(C)C	82673631	VUMHVFUHDYKSKK-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cs1	85528457	RQCPSUQCHSHJTB-YNEHKIRRSA-N	235.396	4.519	0	10	BJAE	
CCC[C@@H]1CCC[C@H](Nc2cccc(O)c2)CC1	86923460	LDGFXQFJWXJAOP-KGLIPLIRSA-N	247.382	4.553	0	10	BJAE	
CC[C@@H](C)C[C@H](C)n1c(=S)[nH]c2ccccc21	88299222	BPBRPJAOINLWJW-MNOVXSKESA-N	248.395	4.696	0	10	BJAE	
CCC(CC)[C@H](N)c1ccc(C(C)(C)CC)cc1	90482769	NUUXXCHNKWVHJY-INIZCTEOSA-N	247.426	4.810	0	10	BJAE	
CCCc1ccc(-c2ccc(Cl)c(N)c2)cc1	104021645	LZQIQSSADWKXMV-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
CC/C=C/Cc1cocc1CCCCC	104831726	CCGSGODQRSQMKM-FNORWQNLSA-N	206.329	4.521	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@H](C)C(C)(C)C)cc1	111654125	VOISAAOACHQINQ-XJKSGUPXSA-N	248.410	4.916	0	10	BJAE	
CCCN[C@H](c1cc(C)cc(C)c1)C1CCCC1	112893540	AQZWECOMKDKMIF-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCC1CCC(Sc2ccc(C=O)cc2)CC1	123687878	BRKQACLKVZCZEQ-UHFFFAOYSA-N	248.391	4.560	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC(C)(C)C[C@@H]2C)cc1F	155827781	GHJORRBSNWUDHP-SWLSCSKDSA-N	249.373	4.761	0	10	BJAE	
CCCCCC(CCCCC)NC[C@H]1C[C@H]1C	159012411	HALYUIRVGOQKTD-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC1([C@@H](NC)c2cccc(C)c2C)CCCC1	163510299	VUVQOEJXLCLCBD-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)c1cccc(C)c1C	163529984	ZNADMQXDEPAWHZ-CZUORRHYSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)c1ccoc1	164941241	RHUXPYDXHHOQOS-MRXNPFEDSA-N	249.398	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@H]([C@@H](NCC)C(C)C)CC1	220847697	BCJYSEXNRCVZCS-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H]1CC[C@@H](C)C1	227414607	KHQULEJWVHCJOO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C=C(C)C)c1cc2ccccc2s1	229744728	ALIGSTLGOANFGF-ZDUSSCGKSA-N	245.391	4.518	0	10	BJAE	
CC[C@@H](C)c1ccc2oc(C(=O)C(C)C)cc2c1	232359308	YVCLMVCDXLAVJD-LLVKDONJSA-N	244.334	4.785	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)[C@@H](C)CCC	232904243	LQYSIVCFLJOWSW-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)[C@@H]1CNc2ccc(C(C)(C)C)cc21	233283351	RSTZBTDAUOVJFM-DOMZBBRYSA-N	245.410	4.929	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCC1(CC)CCCC1	233997199	XEUIDSBXAPGKHN-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCC[C@@H](C2CC2)C1	251738786	KTAXNCWTQNNXGN-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CC1=C2CC[C@H](C)[C@H]2C[C@H](C(C)C)CC1	257373632	AAPYGFMEZRXPJI-GZBFAFLISA-N	206.373	4.805	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C2=CCCCCCC2)C1	300129330	CJGQRMPGOGLWJG-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cc(C)c(Cl)s1	300968899	RPZFGZFOSDUSQW-KWQFWETISA-N	246.803	4.570	0	10	BJAE	
Cc1cc(F)ccc1C(=O)CCCC(C)(C)C	304153902	RIIDLHNYHKZKQZ-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H](C)C(C)(C)C	304241035	DFZMIVHCOFISIR-RDBSUJKOSA-N	228.420	4.636	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCCC(C)(C)CC1	305906864	FZECTPIRHVLEDJ-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)C[C@@H](C)CC(C)C	305993985	UAKLBHWDFTVJJF-USXIJHARSA-N	248.410	4.613	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NCC)C(CC)CC	308040696	AYUVOMOTNOSDEB-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCC1CCC(C(=O)[C@@H](CC)CC(C)C)CC1	308054046	KBXPBVSEQIQCGD-SLTAFYQDSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(N)CCCCCCC1	310210415	GIBXVOHRGHZNGI-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CC1CCC(C[C@@H](O)C(C)(C)C(C)(C)C)CC1	310542593	CSAUOJBZKFMNET-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC(C1CCC1)C1CCC1	310722099	IXWATBKVNCSJHQ-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)[C@H](C)C(C)C	319386243	KMMNWGVDJZBSRA-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1ccc2ccccc2c1	320056033	LYMKBHBIFQSUKD-QWHCGFSZSA-N	240.346	4.705	0	10	BJAE	
CC[C@@H](N[C@H](C(C)C)C1CCC1)c1ccccc1	325074452	XALKCXVDORIXQX-IAGOWNOFSA-N	245.410	4.552	0	10	BJAE	
CCCCCC(=O)CC1CCC(C)(C)CC1	381535790	GQIXXJHRHXYUCY-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
Cc1ccccc1N[C@@H](C)[C@@H]1CC2CCC1CC2	382101715	JZPOFIJLPDYIQN-LBDPXKHJSA-N	243.394	4.622	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1C=CCCCCC1	383133691	WWAULALBQXHGCC-CQSZACIVSA-N	249.785	4.949	0	10	BJAE	
CCCC1([C@@H](CCCCCC(C)C)NC)CC1	383247026	JPDMPUBDHXARTI-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(N[C@@H](C)C1CCCCCC1)C(C)C	384091930	VFDIKIQFPWTBQD-AWEZNQCLSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H](C)CC(C)(C)C	384599288	NLTVZKZBVXLMQC-LLVKDONJSA-N	239.790	4.885	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)c1ccccc1	384932676	IOISIWVPJNCNPM-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CCC[C@H](C)C2)c1F	385303051	VZYFUJMUCWICAI-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@@H]1C[C@H]1CC(C)C	387815094	KYGWHMBGTAHOCL-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCC(C)(C)CC(C)C	391262864	VJQUJIBMZMHBHE-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
Cc1cc(F)ccc1C(=O)CC1CCC(C)CC1	394144183	ZEEFRDQFTDSIOP-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCc1ccc(C(F)(F)F)c2cc(C)sc12	396297906	FVUHQOKJAXEQLA-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCc1cc(C(F)(F)F)cc2c(C)csc12	396309191	SWGPPQLEISBSJC-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
C[C@@H](CNc1ccccc1C(C)(C)C)C1CCC1	398618188	DDPUMOVPSSGZSY-ZDUSSCGKSA-N	245.410	4.832	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)CC1(C)CC1	401333534	FASIZLRHRFIZGT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CNc1ccc2c(c1)CCCCC2	404633133	HXIKWENNILUXCN-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CCN[C@H](CCC(C)(C)C1CC1)CC(C)(C)C	405832489	TZMLZXNFCNVATD-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(CC)c(NCC2(C(C)C)CC2)c1	687530291	LGJNMUIJQVHLEX-UHFFFAOYSA-N	245.410	4.660	0	10	BJAE	
CCC[C@@H](C)Nc1c(CC)cc(C)cc1CC	690188165	QXLJXVBSXFYTJI-CYBMUJFWSA-N	233.399	4.720	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)c1ccc2sccc2c1	691864931	ZEWJLXJUOZKHMG-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H]2CCCC3(CC3)C2)C1	695918858	SKRXJPULLZKUHB-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@](C)(CCC(C)(C)CC)CNCC	696805469	JLTMKWXIVRXXJE-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCC(C)(C)CC[C@H](CO)C1CCCCCC1	696831141	WHSJXUJGADGVNL-OAHLLOKOSA-N	240.431	4.782	0	10	BJAE	
CC(C)=CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O	697597985	GUEHENRYGNUCPR-QLFBSQMISA-N	238.415	4.556	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cccc(C)c1Cl	701089562	CKYSYKYDYPKNEE-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CC(C)c1ccccc1[C@@](C)(N)CCC(C)(C)C	704859574	HWPZYMGFYVAKFO-KRWDZBQOSA-N	247.426	4.810	0	10	BJAE	
CC[C@@](N)(CCC1CCCCC1)C1CCCC1	704915257	RXBFAEGBYLTZGK-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@H](C)NCC[C@@H]1CC=CCC1	706961163	QBBMPRFHGUVTHU-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(NC[C@@H](C)CC(C)(C)C)cc1C	709100119	XGTSTGLDSITDCH-LBPRGKRZSA-N	233.399	4.788	0	10	BJAE	
CN[C@H](CC[C@H](C)CC(C)(C)C)c1ccccc1	709101760	CVQFYTIYFKWDCG-GOEBONIOSA-N	247.426	4.800	0	10	BJAE	
CCCNC[C@@H](C[C@H](C)CC(C)(C)C)C(C)C	709125192	NXPWGNPBIPYFIL-LSDHHAIUSA-N	241.463	4.721	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C12CCC(CC1)CC2	710118959	VOBYTXCYTUHGIV-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1cscc1Cl	710472811	JGHBQJAZUWECHP-GFCCVEGCSA-N	245.819	4.618	0	10	BJAE	
CCCC1([C@H](C[C@@H](C)C(C)(C)C)NCC)CC1	711154457	XXOSDTANTQICJB-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@H](O)CC1CCCCC1)C(C)(C)C	711183334	VWTNUVGQADJDOH-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H]1CCCC1(C)C	713125008	KYJKLNWPQSWFFC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@](N)(CC(C)(C)C(C)C)C1CC1	713173890	CZEVGIIKKDEVQK-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CC3CCC2CC3)C(=O)C1	717464989	NAQBXZKPQQGGST-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	723130675	JBZPOYGEVFYMJJ-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	723637757	TZMSGONRKCUWGB-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccc(C3CC3)cc2)[C@@H]1C	821905857	IUKJFYALXREMLT-PBFPGSCMSA-N	243.394	4.801	0	10	BJAE	
CCC(CC)Sc1ccc(F)c(Cl)c1	1188400096	BXSUSMABDLHADP-UHFFFAOYSA-N	232.751	4.760	0	10	BJAE	
c1csc(SCCCc2ccsc2)c1	1559360340	MZZMHHNMHPNKRG-UHFFFAOYSA-N	240.418	4.535	0	10	BJAE	
CC(=CCCNCC(C)C)C[C@H](C)CC(C)C	1879302827	HIULOSIMQMCRTJ-MRXNPFEDSA-N	239.447	4.641	0	10	BJAE	
CCCC[C@@](C)(CCC(CC)CC)CNC	1900698553	VTUIUBSTXCUXDA-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCC(CC)c1cccc(OC2CCC2)c1	1901880894	HACVHOLDGDGVFI-UHFFFAOYSA-N	218.340	4.522	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CC1=CCCCC1	1905304421	LMBSLTXNCKKVSV-CYBMUJFWSA-N	222.372	4.662	0	10	BJAE	
CCCC[C@](CC)(CCCF)CNC(C)(C)C	1913253281	RTSLBAYOIVVURE-OAHLLOKOSA-N	245.426	4.711	0	10	BJAE	
CC1(CCCN[C@@H]2CCC3(CCCCC3)C2)CC1	1915867825	ULDJQAVEYBPDRM-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCC1CC(CNC(C)C)(C[C@H](C)CC)C1	1921271778	NYRJMNRCUSMPOF-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@H]1CCCC12CCC2	1921627827	QZNWMOHZVBXGLA-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1[C@H]2CCCC[C@H]21)C1CCCCC1	1924099096	QFGTUMZEBWWFCP-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H](C)C1CCCC1	1924108969	UNKBOWLFPHXLFX-WBVHZDCISA-N	249.442	4.703	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1C=CCCCC1)C(C)(C)C	1925765702	UTQUHTXPTCPXSD-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
Cc1scc(C(=O)C[C@H]2C=CCCCC2)c1C	1925777285	QIYVECJENLJLER-ZDUSSCGKSA-N	248.391	4.684	0	10	BJAE	
CCCN[C@H](CC[C@H]1C=CCCCC1)C(C)C	1925888439	GNNDAKGTPPIMHW-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)C1CCCCCC1	1925946169	QUMGKQPONGYZAM-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C[C@@H]1C=CCC1	1926184807	JURWDGYOPMOGPC-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCNc1snc2ccccc12	1926205581	ROWJTOXNHGZACH-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCCCC[C@@H](NCCC)C1(CC)CCC1	1940111078	LRZJITJSDVRBMX-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(C[C@@H]2CCC[C@H]2C)CC1	1940168045	PYFYJUQJZJZUJW-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C1CC1)CC(C)(C)CC	1940707819	ZVXHAGMVPDABQA-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)CC(C)(C)CC	1940788299	HDSFQXMWODSBGU-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)CC1CCCC1	1944666308	PFKKMMJHQOUEAQ-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)(NCCCCC1CC1)C1CCCCC1	1945378488	ASGYEYXBNCVDBL-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
NC1(c2ccc(C3CC3)s2)CCCCCCC1	1947546187	JTTQWTUKMMQRCR-UHFFFAOYSA-N	249.423	4.524	0	10	BJAE	
CCC[C@H](C)CC1(N)C[C@@H]2CCCCC[C@H]2C1	1947856574	GPXURCXKYODBNI-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)[C@H](C)NC1CCCCCCCCC1	1947881620	QWLYDJAPAXUKDE-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H](C)CC(C)C)cc1F	1948329471	ZZYFIOZKLLWHKH-QWHCGFSZSA-N	237.362	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(O)[C@@H](C)CC(C)C	1948334095	WRMOUPFWJNMJGV-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CCC1(C)CCCC1)NCCC	1948434677	FIYDMIAFACSHAT-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CCCC1(C)CC1	1949056061	VPILEYCVLSMASU-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CC[C@H]([C@](C)(N)CC2CCCCC2)C1	1949436662	XTGABIUSQXHWLV-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCCC(C)C)CC1CCCCC1	1949918640	SRVSHPNMYXHKHE-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@@H]1CC12CCCC2	1950667151	CDEWUKOAZYGLSK-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](O)CCC2CCC2)CC1	1950913188	FIBKKSBPWCUMLB-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@H](C)CC1)C(C)(C)CC	1950921377	FEIQYMLLDWZEMT-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC=C[C@H](C)Cc1c(C)cc(OCCC)cc1C	1951308288	CYMFPQJVAUBZBD-ZDUSSCGKSA-N	246.394	4.847	0	10	BJAE	
CC(C)C1CCC(NC[C@]2(C)C=CCCC2)CC1	1966038493	UROHMNCLQFWYOG-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCC12CCCC2	1967700110	UQKHPHLUYNHUNO-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@@H](CC)CNC1CC(CC)(CC)C1	1968237937	QGQRYRDRXZSMOU-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc(NCC2C[C@@H](C)C[C@H](C)C2)c1	1968338814	BIBZLQAZMRMHJU-KBPBESRZSA-N	245.410	4.733	0	10	BJAE	
CC(C)CN(C[C@@H](C)C1CCC1)c1ccccc1	1970692682	UFGVFFJWCOSYJU-OAHLLOKOSA-N	245.410	4.585	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](CC)c1ccsc1	1970831823	ZRRJGYUSVMSMQV-KBPBESRZSA-N	239.428	4.758	0	10	BJAE	
CC(C)(CN[C@@H]1CCC2(CCC2)C1)C1CCCC1	1971704201	UEUCIHPHQIMOBB-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCCCCC1(O)CC(C)(C)C(C)(C)C1	1976785696	DWNWEZMXTMZIKL-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CC1(C)CC(C)(CNc2ccc(Cl)cc2)C1	1980510465	BYDBPPBQKHHRIF-UHFFFAOYSA-N	237.774	4.578	0	10	BJAE	
C/C=C/CCC[C@@H](O)C[C@@H](CC)C(C)(C)C	1984608914	YTSWLAPCFCBRTD-RTIZMKJZSA-N	226.404	4.556	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(C)cc1Cl	1989818147	FCJFWBXOBPFMAQ-LLVKDONJSA-N	239.790	4.885	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cccc(C)c1Cl	1989818293	GRJXZQXAHVZJRF-LLVKDONJSA-N	239.790	4.885	0	10	BJAE	
CCCCC(=O)CCC1CCC(CC)CC1	1989839424	PXORTNNHIBPBLW-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1ccsc1C	1995261360	DHMIMNBQBYHFSW-RISCZKNCSA-N	239.428	4.663	0	10	BJAE	
CCC(F)(F)CC[C@](O)(CC)C1CCCCC1	1996554181	RUTRLLOKTDABJN-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(N)C1CCC(C)CC1	1996594286	KWTLUZYJCOFPRF-GRAKBVBRSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)C(=O)CC1CCC(C)(C)CC1	1996603636	VWIVIJRABGSWGX-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC1CC(C(C)(C)C)C1	1998236338	IAKFJSKXFANCRD-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC(C)(C)NC[C@@H]1CCC=CCCC1	1999989104	WXFFDSZXFLWYOJ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C(=O)C[C@H]1CCC=CCCC1)C(C)C	1999989111	XBLTVCZMOFDARB-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
CCC1([C@@H](O)[C@H]2CCCC(C)(C)C2)CCCC1	2000025841	YECLQRZNGPWKHT-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC)CC[C@H]1CCCC(C)(C)C1	2000164336	XJADNPWVXAUJMT-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C(CC)(CC)CC)C1	2000214654	GJHNIWYSRUDAAU-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C[C@@H](C)CCC	2000387954	PCJVNZSAAWSYSC-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC([C@](C)(N)CC(C)(C)CC)CC1	2002927190	SPUFLLSMGGEPJL-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@H]1CC[C@H](C)CC1	2003104001	PSMFYKKITIHVIB-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@H]1CC[C@H](C)CC1	2003104067	QMKJRTDBLYVJJU-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC1CCC2(CC1)CC2)NC	2003210988	JVCQZOOKVQDIIA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C1CCC(N)(CC=C(C)C)CC1	2004227247	RSUMIWZXMZTWKU-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@@H](C)CC(C)(C)C	2004234691	SOIFCDUUOKDVGY-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCCCC[C@@H](NCCC)C1(C2CCC2)CC1	2004530087	KGRDCDJSCRPMNZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@]1(CNCCC)CCCC12CC2	2005564843	RBKYVQBIYSBAEB-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CC[C@H](C)C[C@H](NC)C1(C)CCC(C)(C)CC1	2007697944	QYPAPRNHRYKQSS-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@@](C)(N)C2(C)CCCCC2)C1	2007750221	TUZTWAZMZFJCLC-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1CC(C2CCC2)C1	2007767829	QLKHNRCGNAKUEJ-DNOWBOINSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)CCCC(C)C	2007939274	GHRHYRFDZIHSJZ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C[C@H](C)CCO)C1CCC(C)(C)CC1	2008715999	LEHLKWHRRHRSBY-ZIAGYGMSSA-N	240.431	4.638	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](O)(CCC2(C)CC2)C1	2009543562	HTVSSEZQUMUEDK-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(Nc2ccc(F)cc2)C1	2009716068	NGBUNZUCXCIMBC-UHFFFAOYSA-N	235.346	4.597	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C1=CC[C@@H](CC)CC1	2010711937	FHWZRTXJSCGFHO-SQWLQELKSA-N	238.415	4.700	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011982889	MPDGQRRPAWNICU-QDMKHBRRSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@](CC)(CCCC1CC1)C(C)C	2012410958	JEGXDMIIYKETHO-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@]1(C)C=CCCC1	2013265996	BPBFQFBJGUCATE-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)[C@@H](C)NC1CC(CC(C)(C)C)C1	2014658716	UKXUJUHKWNQLHM-DNOWBOINSA-N	239.447	4.616	0	10	BJAE	
CC(C)NCC[C@@H](C)CCC(C(C)C)C(C)C	2015345672	VSYREPMNKOPHOZ-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC[C@@H](N)CCC(C)(C)C)C(C)C	2015356214	FPBOTOGUKJIDDX-CQSZACIVSA-N	241.463	4.848	0	10	BJAE	
CCCC1(C[C@](O)(CC)C2CCCC2)CCC1	2015631774	AHUVFNURICIDJK-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@]2(O)C[C@@H](C)CC[C@H]2C)CCC1	2015641095	ZXJIELWHBAQHHV-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CC2(O)CC(C(C)(C)C)C2)CCC1	2015645679	UTICPIFJLNBJCS-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CN[C@@]1(C)CCCCC1(C)C)C(C)C	2016113256	VXGGVKNRQLFZPO-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H]1CNC12CCCCC2	2017315386	CDTDKJBQKXWLBR-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C2CC(C)C2)CC1	2017776058	KGXXLCZPQLSBES-GZYXLSHKSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2CC[C@H](C)CC2)CC1	2017776479	PJPRDVPKCWNORJ-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H]2CCC[C@@H]21	2018128636	CKXWZILPHTXBNH-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC[C@@H](CC)C1	2018139503	SGTMDJFQJSUDGV-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
CCCC1(CC[C@H](O)CC2CCCCC2)CC1	2018967281	JZJLOOAJUBHSDV-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](C1CC(C)(C)C1)N(C)CCCC(C)(C)C	2019326621	XAZKHXYZKFKAMP-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(C)c1csc(C2C[C@H]3CC[C@@H]3C2)n1	2022190354	WMOHLSCQVAVUJE-GHMZBOCLSA-N	249.423	4.734	0	10	BJAE	
CC(F)(F)CCCC[C@@](C)(O)CC1CCCC1	2023304945	QWPRHRULMRBIRJ-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCC(C)(C)NCC1CC(C)(C)CC(C)(C)C1	2024090960	DDBDOQYBNTWFKY-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1CC(C)(C)C1(C)C	2025021838	VJVZXHQCJIVMAL-QWHCGFSZSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC1(CCC)CC1	2026169411	IHFUTZDAKQYQOC-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1C[C@H]2CCC[C@H]1C2	2026239185	JNWWJIMXPDXLBV-SGMGOOAPSA-N	249.785	4.639	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC[C@@H]2CC[C@@H]21	2027976592	YNTZTSOFAWACCR-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1cccc2ccccc12	2028229797	NRGMHAGFJPWANT-YOEHRIQHSA-N	242.362	4.555	0	10	BJAE	
CC1(C)CCC(CN)(CC2CCC=CCC2)CC1	2028873942	JCWUGGYQTMSWLD-UHFFFAOYSA-N	249.442	4.668	0	10	BJAE	
CN(CC1CCCCC1)[C@H]1CCC12CCCCC2	2031770150	YUWWEVZVHJLPHB-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@]23CCCC[C@@H]2CCC3)C1	2031797240	BZLDTFBXUJEKQG-WCXIOVBPSA-N	249.442	4.658	0	10	BJAE	
CCCCc1ccc(C(=O)C[C@H]2CC2(C)C)cc1	2032421327	OURNEKMSCQAHEZ-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CC=C[C@H](C)N[C@H]1CCCC[C@@H]1C1CCCCC1	2034975838	AYUFGNFPCQRMRJ-UAGQMJEPSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)C[C@@H]2C=CCC2)c1	2035559340	ZWOJVSPJKUDUBP-CYBMUJFWSA-N	242.362	4.523	0	10	BJAE	
CC1CCC([C@]2(N)C[C@@H]3CCCC[C@]3(C)C2)CC1	2036660222	IPYIMLLNWCDOGB-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)C[C@H]1C=CCCCC1	2037273391	RJBGMSYFFYUBBA-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
CC[C@@](N)(C1CCCC1)[C@@H]1CCC2(CCCC2)C1	2037575021	FGWLYXSAOHOCJF-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H]([C@H]1CCC2(CCCC2)C1)C1(C)CC1	2037587707	BSGJBIKKULQHBD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC(C)=C(C)C)c1ccccc1	2038138530	LFWYQAXIXMXJST-QGZVFWFLSA-N	245.410	4.864	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C1(CC)CCC1	2039723464	AYPAPOPQHBJGJX-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
Cc1cccc(N[C@@H](C)C23CCC(CC2)C3)c1C	2039858989	HABYYCSGMZJMLC-UQPPLGOBSA-N	243.394	4.684	0	10	BJAE	
CN[C@H](CCC[C@@H]1CC[C@H](C)C1)c1ccccc1	2040165194	GDEBTYLCJJETAN-ZMSDIMECSA-N	245.410	4.554	0	10	BJAE	
CCCc1ccccc1CC(=O)C(C)(C)CCC	2040725568	IMUIGOMYCCYIQE-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
O[C@]1(C[C@@H]2C=CCCCC2)CCCC2(CCC2)C1	2041290634	RYIGYKQWTWWGMM-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H](C)c2ccco2)CC1	2041377692	XVHRXUMZKFRJCB-RRFJBIMHSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)C1(C)CC=CC1	2042019190	MBWDQYVQVVRLOI-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(NC[C@]2(C)CC=CCC2)CC1	2042071423	GJQXLKKOZOTXKR-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H]([C@@H]1C=CCCC1)[C@@H]1CCCC[C@H]1CC	2043188086	QTXKXUVDNLENJZ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@H]2CCC=CCCC2)C1	2045305762	RZEHKCLWWLDXHC-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC[C@H]1CNC[C@@H]1CCC=CCCC1	2045319255	BSSBTQKDBZZMBR-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](NC1CC2(CCCCCC2)C1)C1CCCC1	2046230939	ZNKBUMDHUJCXTR-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]2CCCCCC[C@H]21	2047435940	ARXUHQVYVMPVOC-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2[C@H]3CCCCC[C@H]32)CCC1	2048446082	GCKZXSVKMCRHAS-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C1CC(CC)C1)[C@@]1(C)CC=CCC1	2048589977	KGBDJNBISSKLLC-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H]2[C@H]3CCCC[C@H]32)CC1	2049197732	JWKURUZEJYADGG-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
O=C(C1CCCCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049198833	SJVIEJMTIKJNNP-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
O=C(CC1CCCCCC1)C1[C@H]2CCCCC[C@H]12	2049203594	ONONEGLGHAUZSD-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
C1CCCCC(NC[C@@H]2C[C@H]3CCC[C@H]32)CCC1	2049676569	VERLSRQBMRSVNW-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@]1(C)C=CCC1)[C@H]1CCCC(C)(C)C1	2049980140	WEKZXKSWTUQNAF-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1CC2CCC1CC2	2051410146	YBKCBFCBZJOAHT-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CC1(CNCC2(C3CCC3)CC2)CCCCCC1	2051905572	MTOWZHIRYWVAFC-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCC[C@H]3CC[C@H]32)CC1	2052298796	FALLFZRPBPKIAG-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCC1)[C@H]1CCCCC12CCC2	2053358224	JXEGNAXNJSFHMI-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CNC(C)(C)C)C1CC=CC1	2053694806	PRAQSPDVDUNEJL-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC(C)=C1C)[C@H]1CC1(C)C	2055549009	HGQANDIAGZEACO-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@H]2CC=CCC2)[C@H]1C	2055622455	DHSOGSFXLUHWJU-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2[C@H]3CCCC[C@H]32)CC1	2059002800	IGMLUZZYOWRUSU-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@]1(C[C@@H]2CC3CCC2CC3)CCCN1	2059464832	SXFLQCBNTHMMHI-SJJHQCBESA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C1=CC[C@H](C)CC1	2060915104	XHGKAHQANLDTCE-SUMWQHHRSA-N	243.394	4.556	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C1=CC[C@H](C)CC1	2060927375	XLJUVZCGFRHTJJ-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@@H](CC2=CCCCC2)NC)CC1	2061099408	OZDQYKSENRYJMQ-WMLDXEAASA-N	247.426	4.601	0	10	BJAE	
C=C=CCC[C@H](NC)C1CC(C)(C)CC(C)(C)C1	2061565990	IJDVULWLPBBKJZ-HNNXBMFYSA-N	249.442	4.548	0	10	BJAE	
CC(C)C1CCC(N)(CC[C@@]23CCC[C@H]2C3)CC1	2061614081	CIVDPVXDFQFRQR-VUROTCPHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1CC(=C2CC2)C1)[C@H](C)CC(C)C	2061651174	URVDSGHTGKDFOF-DYVFJYSZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC1CC(=C2CC2)C1	2061696956	WZASYQJKWRPUSP-CZUORRHYSA-N	246.394	4.662	0	10	BJAE	
CC1(NC[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCCC1	2063477888	VKWXXIRHAGMJGV-PHZGNYQRSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(N)(CC2C[C@@H]3CCC[C@H]3C2)C1	2063495519	CIBKYIOTWJDDLO-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)CC2C[C@@H]3CC[C@H]3C2)CCCCCC1	2068704141	OZTLHXQWRLKMAA-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CCc1ccccc1[C@H](N)CC(C(C)C)C(C)C	2068836373	JYLVBTPZOCPMKZ-QGZVFWFLSA-N	247.426	4.567	0	10	BJAE	
CCCC1(C[C@@H](N)CC2CC3(CCC3)C2)CCC1	2069340473	VSXZBMIFPDMNQN-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C1(CC2CC2)CCC1	2069510610	DPYWKNQHBDNNIA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1CCCC2(CC2)C1	2070406824	CNZBPSANZFQLSO-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2071920777	ADELTBBAXSOYPH-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC1(C(C)(C)C)CCC1)c1ccco1	2071941859	XZKFMUGEQZOGGO-ZDUSSCGKSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H]1CCCCN([C@@H](C)c2ccccc2)C1	2074793104	PXIHOQPSBJOLCF-HOTGVXAUSA-N	245.410	4.650	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)N([C@H]2C=CCCCCC2)C1	2074798415	AMWMBXCWYTWITB-BBWFWOEESA-N	249.442	4.632	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CCC1)c1ccco1	2077264198	MBLOFNXUSNOYNK-GFCCVEGCSA-N	241.334	4.720	0	10	BJAE	
F[C@H](CNc1ccccc1C1CC1)C1CCCC1	2077265472	UHXSSKSNQBJPIT-OAHLLOKOSA-N	247.357	4.504	0	10	BJAE	
Fc1ccc(C(F)(F)F)c(-c2cccs2)c1	2080300465	OOSWPDSEACDISB-UHFFFAOYSA-N	246.228	4.573	0	10	BJAE	
CCN[C@@H](CCC(C)C)c1cc(C)cc(C)c1C	2082929844	JZLIVSXVOUXEIG-KRWDZBQOSA-N	247.426	4.699	0	10	BJAE	
CC1(C)C[C@@H](NC[C@H]2CCC=CCCC2)C1(C)C	2084429593	MROURVSEGHVCAZ-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(NCC[C@H]2CC23CC3)CCCC1	2086415364	OABNRTNMROVPFZ-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC(O)(CCCCC2CC2)CC1(C)C	2214566631	YOWLJGZAPJXDRV-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CC)C[C@@H](C)CC	2215245834	FHSRNLPDGZCWQL-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)C1CCCCCCC1	2215247615	KCPGFENALGTCEQ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CC1(C)CC(C)(C)C1	2215399542	WZMPTAYUZDSGOH-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CCCCCCC(CC)(CC)CNC1CCC1	2217124522	IFDVVTLMZDDDTQ-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCCCCC[C@H]1CCc2cc(C)ccc2N1	2217469648	UGMKXNVJKYIXGU-HNNXBMFYSA-N	231.383	4.692	0	10	BJAE	
CC1(C)CC(C)(CC2(CN)CCC3(CC3)CC2)C1	2221028405	PPKDZDPDSVKCHQ-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC1(C)CC2(CCC2)C1	2221028947	VLOHMIPLKBVEPG-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc2c1ccn2CC1(C)CC(C)(C)C1	2221086328	PNBNUCNLMLUUDI-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
CCCC1(C[C@H](N)[C@]2(C)CC=C(C)CC2)CCC1	2221613084	BVJDSLWGMUTOKR-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CN[C@H](C=CCCCCCCC2CC2)C1	2223111679	WFGJPALVXRBSIL-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)NCC1([C@@H]2CCC3(CCCC3)C2)CC1	2223574185	ULDSKAMRLACOHT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)C(=O)c1sc(C)c(C)c1C	2242868736	ZBAAJZWUCGVYLT-UHFFFAOYSA-N	238.396	4.682	0	10	BJAE	
C/C=C/CCCCc1ccc(C)c(F)c1F	2245297976	ZOEYPSFZPHRUOW-ONEGZZNKSA-N	224.294	4.562	0	10	BJAE	
CCCC[C@H](CCC1(C)CC(C)C1)NCCC	2246519876	RAESGZYIYUDPBT-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@]2(C)CC2(C)C)C1	2246658937	DWYOVYWIBLRVQI-DVOMOZLQSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@@H](O)c2cc3ccccc3s2)CC1	2246945007	NAJQEVKOQDPIOR-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CSc1ccc(NCCCC[C@H]2C[C@@H]2C)cc1	2247116042	NJMVRSVVFUHXIV-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C1(C)CCCC1	2248805703	CHIVYILLTWRCNY-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC1([C@H](O)CCCCC[C@H]2C[C@H]2C)CCC1	2248842773	RCFKCJAVDXXOSG-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCC1([C@H](N)CCCCC[C@@H]2C[C@H]2C)CCC1	2248855243	RSBPOLHBHJFPMW-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@](C)(O)C1(C)CCC1	2248865432	JBRASWXCJJORQI-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1ccc(C(C)C)cc1	2250361271	LCQKRIDKUFJOMT-XJKSGUPXSA-N	234.383	4.670	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccccc1C(C)C	2250362441	UVILZMXHNWPWJH-CZUORRHYSA-N	233.399	4.636	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1C[C@@H](C)C[C@H](C)C1	2250364899	GJBASZBUNSROIA-DARAHFNDSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@H]1CCC=CCCC1	2250371927	NSXMNGWNIOVAJB-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCC[C@@H](N)C1	2250479799	YRLZVNXHOWVCCC-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC[C@H](N)C(C)C	2250484980	IWXHBIWSEUOSRT-CVEARBPZSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CCNCCC1(C)CC1	2250530419	UIDSCJFYOYWWQT-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C1CC(CC(C)(C)C)C1	2251536279	RHIJLYOKBGXSFJ-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CCC1CC(C)C1)C[C@H](C)CC	2251756859	GZCASNVFAIEQTO-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1ccc2ccsc2c1	2253057793	BGAGXDNQLRZKLJ-DZGCQCFKSA-N	248.391	4.617	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@@H](C)CCC(C)C)CC2	2253871984	SRPXUPRUDDJHTJ-BBRMVZONSA-N	245.410	4.794	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(N)C2CCCC1CCC2	2254575064	CUQXTRQSSFREAY-PYIVJVRMSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@H]1CCC12CCC2	2255016940	WBLAKHLJYGOCME-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@H]1CCC12CCC2	2255021954	BRIVEXPFAOXUIG-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CC2=CCCCC2)[C@H]1C	2255097187	QAQJFZGLGJSBOR-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CC[C@H]1CC(C)C	2256143067	ZDPQTOAXAFMDRD-ZFWWWQNUSA-N	249.373	4.625	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@]12CCCC[C@@H]1C2	2257246628	GRTJDAJXFZRPFW-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1CC=CC12CCC2	2259679112	QUTFEFGENRHBJX-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@@]23CCC[C@H]2CC3)CC1	2260485253	DBBNPKKBILNRFK-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
c1cc(NCCCC2CC2)cc(C2CCCC2)c1	2260727585	QOMGNZJTJOFKTH-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
C[C@H](C(=O)[C@H](C)CC1CCC1)C1CCCCC1	2298942198	JTNUNMVENOZRQC-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@](C)(C(F)F)[C@H](N)CCCCCC(C)C	2299836114	SPTRDNNQUFSGFY-OCCSQVGLSA-N	249.389	4.602	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@@]12CCC[C@@H]1CC2	2300476138	DJLGVOXOTWDATH-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@]12CCCC[C@@H]1C2	2300501299	LORAFRACDOIAGN-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@](C)(N)CCCC(C)C)CCC1	2300501385	MLDDLVPTGDUJLI-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCC12CCCCC2	2300679142	QHTUQTUPSSRUHT-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@](N)(CCC(CC)CC)[C@H]1CC1(C)C	2300701844	UIKOZQPPJUEEFA-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CCC1(N)CCC(C)(CC)CC1	2300702337	WLILZFTTXFUXTL-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CC[C@](O)(CC=C(C)CCCC(C)C)C1CC1	2300913219	CLQSSJJAXPNXQM-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](CC(=O)CCCC1=CCCCC1)C(F)F	2302296690	LHKHFLAGRPBJNW-NSHDSACASA-N	244.325	4.518	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC[C@@H]1CCCC[C@H]1N	2302512076	BJIVXJCCWKTULH-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@@H](C)[C@H](C)CC	2302575657	YTKGOLNMFOODHG-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CC[C@@H]1C(C)(C)C	2303499064	LSVCADCBHULNSG-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2304418958	VUNCSJHHXJHDTH-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H]2CCCCC(=O)C2)C1	2304426397	VEUOIUNOKHFVGD-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC(C)(C)C(=O)CC[C@H]1CCC(C)(C)C1	2304437450	QRTRNDHEFAKBPX-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(CNC1CC1)C(C)C	2307830555	CWXXXJJKROHLBH-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)C[C@@H]2CCCC[C@@H]2C1	2307847390	ZYOFZPXAPTUCFF-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CCCC(=O)c1ccccc1	2307891881	BAZWRNZZKNONDY-AWEZNQCLSA-N	232.367	4.866	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CC[C@H]1C(C)(C)C	2307896028	XWALFUXPHBHXBW-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCCC1	2309041782	RFTRDFCVPNLEEM-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@@H](N)C[C@H]1CC[C@H](C)CC1	2311020731	JMSFORJJQLKGBD-MNLARUNXSA-N	249.442	4.523	0	10	BJAE	
CCCC1(C[C@@H](C[C@@]23CCC[C@@H]2C3)NCC)CC1	2311199729	BVDLEDSHMKIZHL-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2	2312899817	NXEOFULVQATUPL-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](C[C@@]23CCCC[C@@H]2CC3)C1	2313322841	OWDDFXPDDDKQNG-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(C(=O)[C@H]2CC[C@H](C)CC2)ccc1C	2314711841	MXGNHROGOHBTHE-NNUKFRKNSA-N	244.378	4.566	0	10	BJAE	
CC1(CCC[C@@H](N)[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316694548	STYGCVQUFGNDSG-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@H]1CCCC12CC2	2317015063	FJPMJSFITUDHAB-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
OC[C@]1(CCCC2=CCCCC2)CC12CCCC2	2318544184	WFHBOPYGLCFJRF-KRWDZBQOSA-N	248.410	4.600	0	10	BJAE	
COCc1ccccc1CCCC1=CCCCC1	2318572150	ASTRYWQQRXMVGE-UHFFFAOYSA-N	244.378	4.656	0	10	BJAE	
NC1(C=CCCCCCCC2CC2)CCCCC1	2318956346	GXYPOUKEEMFUQY-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)c2ccc(C)cc2)CC1	2320388355	PJOOPRDYMJCMIR-INIZCTEOSA-N	243.394	4.568	0	10	BJAE	
CC1=C(C)C[C@H](CN2CCC23CCCCC3)CC1	2320393036	BDVIBUNIPICUQD-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCC(C)=C(C)C2)CC1	2320396130	CBKWDQDZSKBRNW-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H](CC1CC1)C1CC1	2320514047	LOQDNEAMEAJERW-SUMWQHHRSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@@H](C)CC(C)C)c1	2327788415	DUUFUKHLVDQFAQ-WMLDXEAASA-N	247.426	4.800	0	10	BJAE	
CCC[C@@H](N[C@@H](C)CCC(C)C)c1ccccc1	19233379	LWXJRTDKHQLFIL-DOTOQJQBSA-N	247.426	4.942	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccc(Cl)c(Cl)c1	20565846	NBNHYOJGTAFTJC-RKDXNWHRSA-N	246.181	4.840	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCC2CCCCC2)c1	21512091	KYBRCMDRCLOOEI-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)c1ccc(Cl)s1	50401447	LGSUDUODJRMDGJ-ZJUUUORDSA-N	245.819	4.631	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H](C)c1ccc(C)c(C)c1	70105576	YYIPWANLGHUNKP-PBHICJAKSA-N	245.410	4.533	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCC[C@H](CC)CC1	83435309	ROGVCQVPAMZASM-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC1=C[C@H](O)CC(C)(C)C1	87323152	XUUINMDOXBQUTE-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](CC)C(C)C	87399043	FJBZDDDGAAETCS-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Brc1cscc1C1CCCCC1	96984858	JCGMUTQREWWAIM-UHFFFAOYSA-N	245.185	4.558	0	10	BJAE	
C/C(=C\[C@H](C)c1ccccc1)c1ccccc1	108605063	ZCQAJLRORFEKOZ-MRPLLJTBSA-N	222.331	4.894	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](N)c1ccccc1	109655961	BCFCQRMCLLSJEV-ZBFHGGJFSA-N	233.399	4.683	0	10	BJAE	
Cc1cc(-c2ccccc2)cc(C(F)(F)F)c1	112734718	WKRHIPIIJGPJSB-UHFFFAOYSA-N	236.236	4.681	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)CC(C)C	129256035	ZZDKHWMAEAGSDV-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1cccc(CCC)c1	131500935	FQGBETPGLYAACT-NVXWUHKLSA-N	247.426	4.855	0	10	BJAE	
CC(C)(C)c1ccccc1[C@H](O)C1=CCCCC1	132851371	DOONKVVUHFVHFL-MRXNPFEDSA-N	244.378	4.518	0	10	BJAE	
C[C@H](CN[C@@H]1CCCC(C)(C)CC1)C(C)(C)C	162622283	UIWIEUDIZPZBTO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C2CCCCCC2)CC1	167684857	UUHRYIQQPSMMFN-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@H]1CCC[C@H](CC)C1	169190104	LJVJPPCDOOVUIZ-BPUTZDHNSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(-c2ccccc2Cl)cc1C	196823680	LYJBIUXXGQNDCQ-UHFFFAOYSA-N	216.711	4.624	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCc2ccccc21	225985717	YNWGWPWFZORVFF-RDJZCZTQSA-N	245.410	4.622	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CC(C)(C)C[C@@H]1C	225998025	QAILBJGHKIWGJH-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC(C)[C@@H](CNc1ccsc1)c1ccccc1	232747374	PCLWQUXTCWXLCI-OAHLLOKOSA-N	245.391	4.600	0	10	BJAE	
CCC1(CN[C@@H](C)c2ccc(C)c(C)c2)CCC1	233083712	NBACETIYQFSMKH-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)[C@@H](C)c1ccccc1	233273408	IJGCJYVMQYGTCG-HLLBOEOZSA-N	247.426	4.595	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNC2CCC(C)(C)CC2)C1	235383360	FHWQVXGWUDSQTL-DZGCQCFKSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C(C)C)[C@H](C)NCC	251387394	SPPXZFKXYNIKJN-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)Nc1cccc(C)c1Cl	300872049	KZPOFKWZTGRPGB-NSHDSACASA-N	225.763	4.639	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cc(C)c(Cl)s1	300968894	RPZFGZFOSDUSQW-GZMMTYOYSA-N	246.803	4.570	0	10	BJAE	
C1CCC(CC[C@@]2(C3CC3)CCCCCN2)CC1	302282405	VCUZPQJUDPQFNL-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)C)c1cc(C)ccc1C	302297925	GZSDTDXQHZEJIG-PBHICJAKSA-N	247.426	4.636	0	10	BJAE	
CCN[C@H](c1cc(C)c(C)o1)C1(C)CCCCC1	302430863	SDARJBBCPHOXTG-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1CCCC(F)(F)C1	304150447	HAKRFKCEYHXOOX-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
Cc1ccc(Cl)cc1OC[C@@H](C)CC(C)C	304158703	GORIXKJFMSPKGG-NSHDSACASA-N	240.774	4.709	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)CC(C)C)c1ccccc1	305994036	UBMUCOHJBHRIHX-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CCc1cc(Cl)c(SC)c2ccsc12	306935177	HZRJAWJGMXDFJH-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)c1ccc(C)c(C)c1	308003627	SXNFDLPMJRCZMC-WBVHZDCISA-N	248.410	4.799	0	10	BJAE	
CC[C@@H]1CC[C@@](O)(CC2CCC(C)(C)CC2)C1	310185974	XMRCPOCILTWOQE-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@](CCC(C)(C)C)(CNC)C1	317130585	GLMIKEKPDPJAPM-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1C)[C@H](C)[C@H](C)CC	320098124	QDBLJSXHURKLHZ-UNEWFSDZSA-N	247.426	4.636	0	10	BJAE	
CCC[C@H](Nc1ccc(CC)c(C)c1)C1CCC1	322851309	PSVYEXDVYRPIPP-KRWDZBQOSA-N	245.410	4.938	0	10	BJAE	
CC(C)CCCCCN[C@H](C1CC1)C(C)(C)C	324122689	QGSSLFSBASXISB-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1(CN)CCCCC1)C1CCCCC1	379932128	UYRKHCDLZSEQIS-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
CCCCC[C@H](C[C@H]1CCC[C@@H](C)C1)NCC	380094930	VVKRDWWBOJYVPL-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCC1(NCC2CCC(C)CC2)CCCC1	382319981	VWNGRUZDUXVDBJ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCC[C@@H](C)C1	383118362	BFWXFFJJPWOAEC-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC/C(=C/[C@@H]1CCC[C@H](CC)C1)CNC(C)C	394514400	LOCDHWAKDOZOGT-MNNNFWIMSA-N	237.431	4.537	0	10	BJAE	
CCc1ccc([C@@H](C)N[C@H](C)CC(C)(C)C)cc1	395021563	NENDTKLZYVGYHB-ZIAGYGMSSA-N	247.426	4.724	0	10	BJAE	
CCc1ccc2sc(C(F)F)cc2c1F	396198057	MUQXSXSMTJFRQO-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCC[C@H](Nc1cccc(C)c1)[C@@H]1CC1(C)C	397631315	OHCVLOMSLSOFRP-GJZGRUSLSA-N	231.383	4.622	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1ccc(C)cc1C	401585883	MUHBUAQXGZKQDH-JKSUJKDBSA-N	245.410	4.932	0	10	BJAE	
CCCNC/C(=C\[C@@H]1CCCC[C@H]1CC)CC	401748743	MQNUTDBDVJCIPL-OPZRYQFUSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](CC(C)(C)c1ccccc1)NCC	686714409	UOZUUFRLAHZSDX-INIZCTEOSA-N	247.426	4.523	0	10	BJAE	
CC(C)CC1(C(=O)CCCC(F)F)CCCC1	688855098	ZFTSVZZKLQEWML-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CNc1cccc(C2CC2)c1	690091498	BPTNPZJCBJUTAR-CZUORRHYSA-N	243.394	4.802	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC12CCCC2)C1CCCC1	693896078	IGZOZQKMAGQBTI-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCCCCNC1CCC2(CC1)CC2	695738607	QLVCQIDZCXWUDR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
O=C(CCCC1CCC1)c1ccc(Cl)s1	701473023	DADSRVLYWBQRLI-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCCNCC(CC)(CC)[C@@H]1CCCC[C@@H]1C	704845325	PMTSMWFTPCBQRW-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(N)CC1CCCCC1	704889871	PLMGXASLLCWECR-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCCC12CCC2	707519815	PFSPOGBWYGXCEP-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CC[C@@H]2CCC[C@@H]21	707855601	DFMUFNXDXXOPKJ-SLEUVZQESA-N	249.785	4.639	0	10	BJAE	
Cc1ccc(NC[C@H](C)CC(C)(C)C)cc1F	709101389	IPDTUDFUFNBPOM-LLVKDONJSA-N	237.362	4.618	0	10	BJAE	
CC[C@H](CC(=O)[C@H](C)CC(C)(C)C)CC(F)F	709153765	TVTAYVOLVXISJW-GHMZBOCLSA-N	248.357	4.699	0	10	BJAE	
CCc1ccc([C@@](C)(O)C[C@@H](C)C(C)(C)C)cc1	710805483	SHVRISMSRRRUDC-DYVFJYSZSA-N	248.410	4.529	0	10	BJAE	
CC[C@@H](CC(=O)c1ccc(C)s1)C(C)(C)C	711084422	ULVXCQIUNWMRLZ-NSHDSACASA-N	238.396	4.702	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CC(C)(C)C(C)C	713141185	NOOPZUVDRWDXLU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)[C@H](CC)CC(C)C	713680875	CTNYJYCIHIQEGL-REDNKSFVSA-N	237.431	4.559	0	10	BJAE	
N[C@H](CC1CCCC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714475982	QNBSJZNNZGYATE-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
C(CCC1CC1)CN[C@@H]1CC[C@@H]2CCCC[C@H]2C1	716399012	AQMUIMGQURXEBR-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@@H](C)[C@@H](C)CNC(C)(C)C	718491897	GREAYFAWWYLJNR-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CCC(C)=C(C)C	718638339	WTEUAJCXISCFKQ-CVEARBPZSA-N	240.431	4.946	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1cscc1C(F)F	720301268	KZVLFBMHLYWTNS-QMMMGPOBSA-N	246.322	4.551	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](N)C2(C)CCC2)cc1	720706862	HJJOOXNAOOAQIX-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CC1(C)CCC([C@@H]2CCNC23CCCCC3)CC1	721087721	NMPOFZPIGJETPV-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(CSc2ccc(F)cc2)cc1	1164453400	HKPXIXNOKJBARL-UHFFFAOYSA-N	246.350	4.680	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CNC[C@H]1CCC=CCCC1	1179763102	FJWVIBPCZGDYLP-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	1205890918	YIFUHSXEHJOQJL-XUWVNRHRSA-N	237.431	4.536	0	10	BJAE	
Cc1cc(C)c(CSCC(C)C)c(C)c1	1472919234	FWXHIPNMGGZLOX-UHFFFAOYSA-N	222.397	4.501	0	10	BJAE	
C=C/C=C\CCN(c1cc(C)ccc1C)C(C)C	1616137154	SOBNYIRSZOXPHS-FPLPWBNLSA-N	243.394	4.651	0	10	BJAE	
CC(C)C[C@H](C)Sc1cccc(Cl)c1	1651791336	HXZLZJMYTYCRDZ-JTQLQIEISA-N	228.788	4.867	0	10	BJAE	
CCc1ccc(NC[C@@H]2C(C)=CCC[C@H]2C)cc1	1656859654	OVCDCOBZABQTDG-RHSMWYFYSA-N	243.394	4.653	0	10	BJAE	
CCCC1CCC(NCC2(CC3CC3)CC2)CC1	1663165014	JYSQMNJEZAGMAH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1C[C@H]1CCC	1897614439	NHMRSMLMJQWPSW-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCCNC[C@](C)(CC)CCC(CC)CC	1900694221	WTEIEYYGLLWXJQ-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)CCC(CC)CC	1900701078	KPJOJTWDVYLZGR-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H](C)CC(C)(C)C	1900705785	WRPJFXXGYCHSMC-OCCSQVGLSA-N	228.420	4.636	0	10	BJAE	
Cc1nsc(C)c1CCCC1=CCCCC1	1901957051	UZSUFASGMYFTBP-UHFFFAOYSA-N	235.396	4.583	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)C(CC)CC)CC1	1909710585	IASXXTYGZHAUDG-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CC(C)c1ccccc1OCC(Cl)=CCl	1911549184	FPFDNOGDWNOZGQ-UHFFFAOYSA-N	245.149	4.508	0	10	BJAE	
CCC=CC[C@@H](CC)c1ccc(F)c(C)c1	1912014786	ORXKWYOVEWIQQR-CYBMUJFWSA-N	220.331	4.984	0	10	BJAE	
C=CC=CCC[C@@]1(CNCCC)CCC[C@H](C)C1	1912030813	AKGAMMYCTHDKJK-DLBZAZTESA-N	249.442	4.705	0	10	BJAE	
C[C@H](C=C1CCC[C@@H]1[C@@H]1CCCCN1)C(C)(C)C	1912060976	RUKUIJPNMMWLPC-KBMXLJTQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC=Cc1ccccc1)CC(C)C	1912071053	JTXPCRFSNALELB-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
Cc1ccc(-c2nc(C(C)(C)C)cs2)cc1C	1912996418	KHDNNKGGEQDGGT-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCC2(CCCCC2)C1	1915855981	VTFHLQZQGIXITO-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H](C)CCN[C@@H]1CCC2(CCCCC2)C1	1915865845	QLAFWCCGIGBQLC-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCC3(CCCCC3)C2)C1	1915886363	RENYSHYCDJBJCR-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CNC2CC2)C=CCC1	1916373389	VKBCCSYMEAZGHA-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(O)CCCCCCCCCCC1	1919621839	YPLQXHUCBPTTGU-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CCCC1CC(C(=O)c2cccc(C(C)C)c2)C1	1921300365	LAHJSQAPAVKOFI-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCCC1CC(C(=O)C[C@H]2CC3CCC2CC3)C1	1921304505	GGOQZRRIVZDAOX-IBHBGHMQSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(O)(CC[C@H]2CC2(C)C)CC1	1921536044	ILTWJPSXIVCJJO-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)[C@H]2CCCC23CCC3)CC[C@H]1C	1921610703	PMJPCHPYNFQUKO-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H](C)C1CCCC1	1924102893	CYORADIMKPRCJR-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(CNC(C)(C)C)C[C@@H]1C=CCCCC1	1925753174	NVSJIIGUTLNRJI-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN[C@@H](C)C1CCCCCC1	1926158989	DPROAFZXHHQEQY-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC1CC1)CC1(C)CCCCC1	1940409151	NXSXIXWSZOYRLD-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(CCCC2(C)CC2)C1	1940870594	VDJWFCQBKGKMQO-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@](C)(O)C1CCCCC1	1940873563	RIJYYFQTACNEAV-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC1=C(C)c1ccc(N)cc1	1940966689	LODWZTSYILYIGB-CYBMUJFWSA-N	229.367	4.643	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCC(C)(C)C1CC1	1941266513	GNFUIMCPEIWEMR-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCCCCC2CC2)CC1	1941590794	FOKDIXHIYLXMPG-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)NC1CCC(C)(C)CC1	1948328168	SRSNLFZDZSFJHC-KBPBESRZSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CCC)CCCCCCC1CC1	1948846549	JCJSOQDOKAPHGC-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CC1(CC)CCC1	1948981292	PDRBJTFBADSYSO-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC(C)(C)C(C)(F)F	1949014410	DCUAACJNMLUDCX-RISCZKNCSA-N	249.389	4.602	0	10	BJAE	
Cc1cc([C@H](N)CCC2=CCCCC2)c(C)s1	1949043182	LKLDULHMOPBVTC-OAHLLOKOSA-N	249.423	4.645	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)C[C@H](C)CCC1=C(C)C	1949087843	IDBJPNKIZXSPKM-CZUORRHYSA-N	237.431	4.667	0	10	BJAE	
CC(=O)c1cccc(S[C@H]2CCC(C)(C)C2)c1	1949495089	DFXSUCHLHOTKGB-AWEZNQCLSA-N	248.391	4.560	0	10	BJAE	
CC(C)=CCCC1(CNC(C)(C)C)CC(C)C1	1950492565	ZKUNYTGORQLZFV-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@]1(CNCC(C)C)CCC[C@H](C)CC1	1950931453	XBADDUPJWHCCTG-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@@H]1CCC2(CC2)C1	1968286423	VZRNBBJHHSRRAY-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CCc1ccccc1NC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1968360148	MNHXBWQGDMCNCA-FICVDOATSA-N	245.410	4.733	0	10	BJAE	
Cc1cc(-c2csc(C(C)(C)C)n2)ccc1F	1968696425	JJVGLCOVXXIPPI-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CCC[C@H](C)N[C@H]1CCCC2(CCCCC2)C1	1968900794	WWEZZEJYLPQALB-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CC(C)(CNC1CC2(CCC2)C1)C1CCCCC1	1970814457	PQTSCIVGRMEIKE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(CN[C@@H]2C[C@@H]3CCCC[C@@H]3C2)CCCCC1	1973573388	NVJKPQAMRZLUOB-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1CCCCCCCC1=O	1980318687	FNNXMCPENHQLRM-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C)CC[C@@H](N)c1cccc(Cl)c1	1980685996	YGJMQTXMAOTTGG-BXUZGUMPSA-N	239.790	4.556	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2CCC2(C)C)n1	1987954203	FMRCCCMNVQKJEI-JTQLQIEISA-N	237.412	4.734	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)C(C)(C)CC	1989855209	KSCPWZJHKGLJMC-ZFWWWQNUSA-N	227.436	4.747	0	10	BJAE	
CC[C@@H](C(=O)c1cccc(C)c1Cl)C(C)C	1994172260	PLCJLFGBVFJSPA-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H](C)C(C)C	1995262755	PGUGPKFYELLGMF-ZNMIVQPWSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](C)Cc1coc2c(F)c(Cl)ccc12	1995462786	BMCHPTIXJWGRAW-QMMMGPOBSA-N	240.705	4.814	0	10	BJAE	
CCCc1ccccc1OCc1ccsc1C	1996034583	AOOITUVUZOWGBA-UHFFFAOYSA-N	246.375	4.588	0	10	BJAE	
CCc1ccc(C(=O)C(CC)(CC)CC)cc1	2000212529	WNJPMPDOCDQFRI-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1CCCC(F)(F)C1	2000213907	RAQSTQNKLDYINV-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1(C)CCCCCC1	2000217655	AWDIHJYBMDBFHB-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H](CCCC(C)C)CCCC1(C)CC1	2000312925	OPLPEMZLCSLDQD-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCC1CCC1)CCCC1CC1	2000377657	YPNJYRZBFLXNPF-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(CCCC)C(=O)O	2000485413	XIJFXGQEMMUEQL-HIFRSBDPSA-N	242.403	4.874	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(N)CC2(CCCCCC2)C1	2000665163	APAZEAOLXNDPOE-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)NC[C@H]1CC12CCCCC2	2001272530	DOPJYALYERURPM-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC([C@H](C)[C@@H](O)CC(C)C)CC1	2002924540	JHWGCLYEXYXEPJ-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1CCCC2(CC2)C1	2003189906	GGHYTTUVORASJZ-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@H](CC)C(C)(C)C	2004227193	RGMGLBGPXBBYAV-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@H](CC)C1CCC(CC)(CC)CC1	2004337421	RAHGUYZDGCYZBB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C1(C)CCCCCCC1	2004922139	DSWTXXNIYKIUGX-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@@H](CCCCCC(C)C)C1	2006633154	XSJDPSZKMLFLKQ-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCC(C)=C1C	2006955209	YXYZNUGTUMIIJM-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CCC(C)(C)C)[C@@H]1C	2006977655	DNUMAZDYTYYIEJ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CCC[C@H]1C(C)C	2007660703	VDIWSXGUGLGEEQ-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)C1(C)CCC(C)(C)CC1	2007685708	FOQHIBXSXCXDJP-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC=C(C)[C@H](O)C1CCC(CCCCC)CC1	2007861016	KFJXDJAJPCJHHO-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1(CC)CCCC1	2009620800	YDEBWNZJQNBCIW-SZTZYQKNSA-N	237.431	4.681	0	10	BJAE	
CCCCC1CC(N)(C[C@@H](C)CC(C)(C)C)C1	2009791220	JIBWXPNCYWMCLU-HLIUYOAVSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)CN(C)[C@@H]1CCCC(C)(C)C1	2011181756	SBORDXKFADGLOK-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](O)CC(C)(C)C1	2012059525	VXNATRZAZADRLK-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CC[C@](O)(CCC(C)C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2013270086	FKRCWXSQLQFWCO-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CC1(C[C@](C)(N)[C@H]2CCC2(C)C)CCCCC1	2014872837	WKNCEFFGBNMJKZ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(O)CCCC[C@@H]1C(C)(C)C	2015284604	PDVWAPSEGOBMKI-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@H]1CCCCC[C@@H]1N)C(C)C	2015359527	DIRWUASLBSUBST-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(CC(=O)CC1(C)CCCC1)C(C)C	2015385439	DUNDYWHVUIABQB-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)CCC(C(C)C)C(C)C	2016830540	IBQCLUBZJJICOL-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CCC1CCC(C[C@@]2(O)CCC[C@@H](C)C2)CC1	2017649374	UVRXUAWLXDPZJP-PRLABOORSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@@H](O)C2CCCCC2)CC1	2017655607	FHKBMLAMZUNDII-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2017699015	COWSAHFQFIMBIF-NHIYQJMISA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CCC)C[C@H]1CC[C@H](CC)CC1	2017728496	MIIADNKZDPIRPB-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCC[C@H](C)C2)CC1	2017730964	MODNMZQAYHZOLC-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC(C)(C)C[C@@H]1C	2018073678	AHVGQNMRVVGLFY-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1CCC12CCC2	2018129536	DBCWQJYGGVUKRG-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC[C@@](C)(F)CC1	2018130637	PCWCKKOEGJYZJL-SOUVJXGZSA-N	243.410	4.606	0	10	BJAE	
CCCCC[C@](N)(CC)CCC1=CCCCC1	2018134614	QLACYRVVBIYHLJ-MRXNPFEDSA-N	237.431	4.955	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@]12CCCC[C@@H]1C2	2018572578	FWFVJGABZYVXFL-OWCLPIDISA-N	238.415	4.678	0	10	BJAE	
CCCC(CCC)[C@H](CC1(CCC)CC1)NC	2019007841	GTBDYYSMRLXGMB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CN(C)[C@H]1C[C@@H](C)CC(C)(C)C1	2019292462	YAGOKLBMRLZQPP-ZNMIVQPWSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CCCCC(C)(F)F	2023289771	IWCFLSBNMQNUNQ-GFCCVEGCSA-N	249.389	4.746	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1(CC)CCC1	2023340673	WHJRZQARWKFYPK-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)[C@H]1CC[C@@H](N)CC1	2023554112	XJNBGFBLAZCFCV-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H]1CC=CCC1	2026075012	RBQHLBQCKGROPB-CABCVRRESA-N	236.399	4.908	0	10	BJAE	
CCCNC[C@]1(CCC2CCCC2)CC12CCC2	2032135784	OZZPXNORLOBCRU-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1(CCN[C@@H]2CCC23CCCC3)CCCCC1	2033212281	IUQWHUCYNOJMPL-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCC1(CN[C@@H]2C[C@H]3CCCC[C@@]3(C)C2)CCC1	2036664508	KSGUMCXMZWCFRP-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCCCC1CC1)CC1CC2(CCC2)C1	2037980388	XQEQTYBYSUQOLG-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NC[C@H]1CC12CCCCC2)C1CCCCC1	2039059198	RYRBCGGFHHZSTB-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@@H](N)CC1(C)CCCCC1	2039443332	ZKWKWKFKNGRXTF-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
CCCCCCNCC1CC2(C1)CC1(CCC1)C2	2039459060	YAMGPEJVAHNNAG-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)C[C@H](C)CC1(N)CC2(C1)CC1(CCC1)C2	2039464950	ZPFBMFAASCPPAR-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)C23CCC(CC2)C3(C)C)C1	2040145404	IXVAVHIWAWDHKR-YFTKNLTDSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CCC2)C1)C1CCCCC1	2041289025	FICGBOSIEPUEHX-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@]1(C)N[C@@H]1CCC2(CCCC2)C1	2041736909	QGPNSSGUJRYYGQ-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccc(N[C@H]2[C@H]3C=CC[C@H]2CC3)cc1	2042525891	HWUPGBQCXSYQHZ-ZOBUZTSGSA-N	241.378	4.577	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)[C@H]1C=CCCC1	2043187658	NMRCODSCOOZZMY-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1CCC2(CCC2)C1	2043605920	FRCALSFJJUTFGZ-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(F)ccc1NC[C@@H]1CCC=CCCC1	2045330796	YZOOXCIGLAXHQM-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CCCC(C)(C)C2)ccc1F	2045448704	DKYWATVIWMPIBC-ZDUSSCGKSA-N	248.341	4.533	0	10	BJAE	
CC1(C)CCC[C@@H](n2ccc3ccc(F)cc32)C1	2045454166	GMAOEZNEYHPLNH-CQSZACIVSA-N	245.341	4.922	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2C[C@@H]3CCCC[C@H]3C2=O)C1	2045455765	VBNFXPSWHKJYDH-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H]1CCCC[C@@H]1CC	2045793597	IOTUVKHGBXVTFP-ULQDDVLXSA-N	249.442	4.703	0	10	BJAE	
C1CCC[C@H]2[C@@H](NCCC3CCCC3)C[C@H]2CC1	2047437797	OLGGYRGUPHWTAE-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2C[C@H]3CCCCCC[C@@H]32)C1	2047439021	WZEGTIIZHQZNFU-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC(C)(CCC(=O)[C@H]1[C@H]2CCCCC[C@H]21)C1CC1	2048367671	BNDCKVBXUGHNFV-MIFYACCESA-N	248.410	4.598	0	10	BJAE	
CCC[C@]1(C2[C@H]3CCCCC[C@H]23)CCCCCN1	2049220537	XAZGXDQUYNDSMI-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2CCC[C@@H](C)C2)c(F)c1	2049539804	JHZREXNUJXXBFE-BNOWGMLFSA-N	249.373	4.761	0	10	BJAE	
CC(C)C1CC(C(=O)C[C@@H]2CCCC3(CC3)C2)C1	2049937936	LNNKTCMINZLTGJ-NFOMZHRRSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H](O)c2ccc(C)cc2)C1	2050439810	CYHHJMYJMSJNNG-INMHGKMJSA-N	246.394	4.635	0	10	BJAE	
CN[C@@H](CCCC(C)=C(C)C)c1cccc(C)c1	2050455774	JFSFPHNGFSWEBK-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2051594903	LFZOFGBYWBMHAI-QDMKHBRRSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@H]3C[C@H]3C2)CCCCCCC1	2052502897	OILIAJMUQQBAEX-QKDCVEJESA-N	248.410	4.742	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@@H]1CCCCC12CC2	2053355218	IOVFBBMZDSCPRB-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)C1CC(C)(CC)C1	2056870121	HZPSWNNGCRPSPM-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CCCC21CCCCC1	2059463989	MIIAOMJEDMVBKT-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C(C)(C)C)CC1)C1(C)CC1	2061095171	LGKGNAPQNREEMM-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(N)CC[C@@H](C)C[C@@H]2C)CC1	2061121158	CXOGWOUWSZAVBW-JYYAWHABSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@H](NCCC)C(C)(C)C1CCCC1	2061572532	RGLMQRCALWNBFM-INIZCTEOSA-N	249.442	4.692	0	10	BJAE	
CC1CCC(C)(C(=O)CC[C@]23CCC[C@@H]2C3)CC1	2061606919	OIOGZGPKHGWNSG-CPBWPMLKSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCC(C)C)C1CC(=C2CCC2)C1	2061733990	IIQCQIAVRLKWBW-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CC(=C2CCC2)C1)[C@@H](C)C(C)(C)C	2061737781	VDGGAHXKFWIWDU-MLGOLLRUSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC(C)(C)C1)c1occc1C	2063677296	GVSWHKDDBCUUHH-KGLIPLIRSA-N	249.398	4.598	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H](N)CC12CCC(CC1)CC2	2065304685	CKTIZSHKFPZXJU-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CCC1	2069267651	DUYQYDAFPDYRDA-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCCCC23CC3)CCC1	2069281221	UNKYDOQDMYFIRV-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CCCC1(CC2CCC3(CCNC3)CC2)CCC1	2069341062	BAGKOHOQTZPSIQ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1(CC2CC2)CCC1	2069522940	CWJQNUAZAJKCAL-LLCTXKFZSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](N)C2(CC3CCC3)CC2)CCC1	2069561445	INILAYNXFGJFIM-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C1CCCCC1)C1(CC2CCC2)CC1	2069587824	XKCGRALULHWPDX-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@]23CCC[C@@H]2C3)CC1	2070966612	JGULHNGRPPWQBE-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1(CN[C@@H]2CCCCC23CC3)CCC1	2071932555	GYEJARSCBDIWJT-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC1CC2(C1)CC21CC1	2072227589	HMPUVKMQGLMYHO-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@H]2CC23CCC3)CC1	2072798717	MAACDQXNINFHOR-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C[C@@]12CCCC[C@H]1C2	2074027898	DHRFULREFXZLMJ-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)C1(C2CC2)CC1	2074643699	IQVOCRNLNCFGEK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](O)CCC1=CCCCC1	2075714746	DANBMHJGBWGDSV-XIRDDKMYSA-N	248.410	4.620	0	10	BJAE	
CCN(C[C@@]12CCCC[C@H]1C2)C1CCCCCC1	2076548164	BWVHIHHEPPFBNV-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CCCC3(CC3)C2)c1	2077265061	IPTSZFJHTMQZMM-CQSZACIVSA-N	241.378	4.699	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@@H]2C2CCCC2)CCCCC1	2079632686	JDZOXDCRXOZWNA-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@]1(N)C[C@H]1C[C@H]1C1CCCCCC1	2079661180	OMJNZGJHCHKBBB-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
C[C@]1(CC[C@@H]2C[C@H]2C2CCCCCC2)CCCN1	2079692828	FQEQORYHRCXMOO-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1C[C@H]1Cn1ccc2cccc(CC)c21	2079821758	WJAGFDHLQYTCFC-HOTGVXAUSA-N	241.378	4.640	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2C[C@@H]2C2CCCCC2)C=CCC1	2079850405	FIYJJRPECPJPFD-INMHGKMJSA-N	246.394	4.518	0	10	BJAE	
CCc1ccccc1[C@](C)(O)CCC(C)=C(C)C	2081209795	UNEGMCRGGQAHDH-QGZVFWFLSA-N	246.394	4.593	0	10	BJAE	
CCC1CC(CCN[C@@H]2CCCC3(CCC3)C2)C1	2084913046	QOVPNCHMUIFYNU-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@H](CC)Oc1ccc(C)cc1C=O	2086297808	IROPINYHIGDXNE-OAHLLOKOSA-N	248.366	4.545	0	10	BJAE	
CCCCC[C@](C)(CCC)CN[C@H](C)CC	2212593924	XPMBAQNCJMIDDA-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCN[C@@H](c1cccs1)[C@@]1(C)CC=C(C)CC1	2215816927	KOVGVDVDRLCLAC-GJZGRUSLSA-N	249.423	4.535	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(N)CCC[C@H](C(C)(C)C)C1	2216253332	QUMWTZKXSQKAMG-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CC[C@H]1C1CCC1	2218720543	JWWGTYXWWGAPCO-DLBZAZTESA-N	249.442	4.645	0	10	BJAE	
CC(C)C1(Cn2ccc3cccc(F)c32)CCC1	2220300644	KIPJOCIYEVOUQL-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
CC1(C)CC([C@](C)(N)CC2(C)CC3(CCC3)C2)C1	2221041933	VKGHQNFRFOXHEP-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC[C@@H]1CC=C(C)CC1	2221668075	NVBHRPIWJCHWRJ-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(CNC2CCC2)C=CCCC1	2223542453	QRGUPNICNLKCTR-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)[C@H](C)c1ccc(C)cc1	2223954998	NRFMKGMZRBULNY-NVXWUHKLSA-N	246.394	4.596	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C2(C)CC=CC2)C1	2246658188	AEMYUMPGHASVPT-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@](C)(O)CCC(C)(C)C	2247119600	KYMFTIWILWCWLA-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCCC[C@@H]1C[C@@H]1C	2247159551	NTBFJDJEOVKMKO-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@H]1CCC1(C)C)C(C)(C)C	2247308874	HFYLTSNWWXNAAM-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCC12CCC2)C(C)(C)C	2247410045	ZMQQAHIZAOTSBU-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](C)[C@@H](C)CC)cc1	2248167917	JUDSOSQIDMLRPW-QWHCGFSZSA-N	232.367	4.504	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CC[C@H](C)NC1	2250478125	FLIZCXSZRFPNFR-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CNCCCC(C)=CC[C@H](C)CCCC(C)C	2250515647	BCBGWPSVXQPMQI-OAHLLOKOSA-N	239.447	4.785	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1CCC(C)CC1	2250518149	HHVQFKWAYGEDHL-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](C(=O)C[C@]12CCC[C@H]1CC2)C(C)C	2251158686	PEERVKKZGGGKLB-OFQRWUPVSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC[C@H]1Nc1cccc(C2CCCC2)c1	2251254948	GANCMNFQEAJPQC-BLLLJJGKSA-N	229.367	4.555	0	10	BJAE	
CC(C)(C)CC1CC(C[C@H](N)CC(C)(C)C)C1	2251497496	IJONTDADQANGGD-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](N)CC[C@@H]1CCCCC12CC2	2253843773	MNLZAOJCVXCSRV-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@@H]1CCC[C@@H](C)C1)CC2	2253863285	KRTDZCYUNNMPNW-WQVCFCJDSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC2(CC3CCC3)CC2)C1	2253949824	AINMIYUYFTXZHL-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)CC2CC3(CCCC3)C2)C1	2254121509	CVUIOVIQTNPWRZ-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1CCCC12CC2)C[C@@H]1C=CCCCC1	2255336457	WVPGJOHVTFMXDI-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1CCCC12CC2	2257241087	NFXVFXUFSVUDKV-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C[C@@]12CCCC[C@@H]1CC2)C1CCCCC1	2260582739	LDCOPOWTHHZZBL-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@@]12CCCC[C@H]1CC2)[C@H]1CC[C@H](N)CC1	2260653175	XGPSMYBQAUQOOK-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CC(C)C1)C1=CCCCCC1	2261503074	GIWVYVOETAMHCW-DQPZFDDXSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(-c2ccc(O)c(Cl)c2)ccc1C	2299627455	RDVMEIQIYDPRBU-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
CCC(CC)CC[C@H](O)c1cc(C)ccc1C	2300689416	XZWSVZYXXMWCHQ-INIZCTEOSA-N	234.383	4.553	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C[C@@H]1C[C@H]1CC	2300699943	IUISNBWCRBCCLR-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@@H]1CCC1(C)C	2300704489	RSKVXDWCGPHQMX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1CCC1(C)C	2300872131	MMKVDPXHHDNFOU-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@@H](N)C1CCC(CCCCC)CC1	2300902929	ZEXHWXJQDPFLFB-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)CC[C@H]1CCC[C@@H](C)C1	2301903773	XBGPFKSOWFGGIR-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CCCC1=CCCCC1	2302359255	OZTIQAKPOLNATJ-HOCLYGCPSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCCCNCCCC[C@H]1C[C@H]1C	2302488683	CROFYKZXJLHNFN-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](O)CC2CCCC2)C1	2302683219	QRVYERCLRNURGW-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@H]1CC[C@H]1C(C)(C)C	2303441816	ATXSAJCHUVRGGK-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303498993	ZZXMJEFJQVQCLM-MJBXVCDLSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303514249	XXYODBYRUDGVCC-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](C)[C@H](CC)CC[C@@H]1CCC(C)(C)C1	2304411729	MEZWLRKUYBFIPR-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@H](CC)CCC(C)C	2307748384	YROULGOOJOFSEA-HZPDHXFCSA-N	241.463	4.959	0	10	BJAE	
CCC[C@H](CC)C[C@H](CNC1CC1)CC(C)C	2307831332	JOIJAIROKZCWES-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)C1CC(C)(CC)C1	2307904679	VURWUJOEVVXYPM-JWMHWRSXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)[C@H]1CC[C@H](C)CC1	2307907599	MHSGANLLQWPDHS-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	2308262553	XGRWCDJMHRGXLR-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2309180569	FXHGRCLMFSLMIE-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H]2CC[C@@H]3C[C@H]23)CC1	2311016718	VAFCIFODYBAFIQ-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](N[C@@H]2C[C@H]2C2CCCCCC2)C1	2311538698	HPMLJZZZBQXQAU-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](C[C@@H]2C[C@H]2C2CCCCC2)N1	2311571554	JXVBPNSNEUJPHE-TWMKSMIVSA-N	249.442	4.514	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1C[C@@H]2CCCC[C@@H]21	2312332656	KBIAUEIQEJZYHE-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2312465161	PAKTWPBSQUCGQU-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)C[C@@H]3CCCC[C@@H]32)C1	2312674965	UYONACZTPVZHJA-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C[C@@H]2CC[C@H]1C2)C1CCCCC1	2312950090	ZGPPKGASGHJSBP-LQKXBSAESA-N	248.410	4.598	0	10	BJAE	
CC(=CCNC1(C2CCC2)CC1)CCCC(C)C	2316490668	LBGRXGBHQZEYQC-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1C[C@@H]2CC[C@H]1C2	2316541504	GXTUADJAKKHYAJ-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316748275	YORPIDVTTDWKQL-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
OC1(CCCC2=CCCCC2)C[C@@H]2CCC[C@H]2C1	2318543193	ZPICMJHVYBGOLY-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@H]1C[C@H]1C1CCC1	2318565187	IJNHJZGEEYUQQY-HOTGVXAUSA-N	246.394	4.662	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CC2CCC1CC2	2318567545	FUPYAPPVBMKQQL-OFLPRAFFSA-N	247.426	4.565	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1CCC[C@H]2C[C@H]21	2318589648	SSKANUWYZAFUAI-ARFHVFGLSA-N	246.394	4.662	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)CC[C@]12CCC[C@@H]1C2	2320151642	PDYSCASDKWJAJP-OEUWWYETSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1C(=O)CCC1=CCCCC1	2320155520	YPNXVPYUWBXKNN-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@H]2CCC(C)=C(C)C2)C1	2320337366	MJHSIECNHMRZTM-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H](C)CC2CCC2)c1	2320578969	XTJQEOZCNGETIO-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C23CC(CC(C)C)(C2)C3)C1	2321636409	IOOPAXWMUJMDPH-VBJONLRCSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@](C)(N)[C@@H](C)C(C)C)c1	2327676372	WCKSZCCWCNZUAJ-WMLDXEAASA-N	247.426	4.584	0	10	BJAE	
CC(C)c1cccc(N[C@H](C(C)C)C2CC2)c1F	2327807890	NGXSBGDEPQLQHN-MRXNPFEDSA-N	249.373	4.796	0	10	BJAE	
CCC[C@H](CC)CN1CCCCc2ccccc21	2328282399	OVHLPIQAFYBQAS-HNNXBMFYSA-N	245.410	4.656	0	10	BJAE	
CCC[C@@H](C)CNc1cc(Cl)cc(Cl)c1	19232189	DLWSRXCWPFYOAI-SECBINFHSA-N	246.181	4.842	0	10	BJAE	
C[C@H](NC1CCCCCCC1)c1cccc(F)c1	21504129	OPZJEINQORGLBA-ZDUSSCGKSA-N	249.373	4.589	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1ccccc1C(C)(C)C	36956480	AOXZXQBPHKEOTE-ZFWWWQNUSA-N	245.410	4.975	0	10	BJAE	
C[C@@H](N)c1ccccc1-c1cccc2ccccc12	38070145	GXFDKTKOSPVIPF-CYBMUJFWSA-N	247.341	4.527	0	10	BJAE	
CCCC[C@H](CC)Nc1ccccc1CC	68985607	RTRQLTYHSZBSGT-AWEZNQCLSA-N	219.372	4.630	0	10	BJAE	
CCCCC[C@@H](NC)c1cc(CC)ccc1CC	70440704	UDNDVBYHWAKAGY-QGZVFWFLSA-N	247.426	4.652	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCCC[C@H]1CC	70977654	APEQCOVWQGFLBR-GDBMZVCRSA-N	231.383	4.630	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@H]1CCC[C@H](C)C1	71153402	WOMPDEBNWMWNNZ-XIRDDKMYSA-N	246.394	4.501	0	10	BJAE	
CCCCCC[C@]1(O)CCC[C@H](CC)CC1	83520421	OUXBOMXCUDDKSH-GJZGRUSLSA-N	226.404	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CNC)c1ccccc1	88097222	XHRGKQAPWYFWOE-RDJZCZTQSA-N	247.426	4.596	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cc(C)cc(F)c1	91510767	RHJLRXPYXPLJDR-SMDDNHRTSA-N	237.362	4.761	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCCCC2(C)C)cc1	94278384	RGGOWGJJFJXZIF-GOEBONIOSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@]2(O)CCCCC2(C)C)C1	94284636	ZWHDIRBOCKNGDT-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCSc1ccccc1N[C@H](C)c1ccoc1	94869003	MRTWVROHIKEZEM-LLVKDONJSA-N	247.363	4.565	0	10	BJAE	
CNC[C@@H]1CC12CCCCCCCCCCC2	104168737	OSZULMAYQHOOAV-HNNXBMFYSA-N	237.431	4.517	0	10	BJAE	
CCN[C@H](CC1CCCCC1)c1cc(C)oc1C	110227242	SCVAQZBELMXFIP-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
CCCCC[C@H](N)c1c(CC)oc2ccccc12	110235221	ZSFNYRUMLGQALJ-ZDUSSCGKSA-N	245.366	4.575	0	10	BJAE	
CC1CCC([C@@H](O)CCC2CCCCC2)CC1	124293348	USOHGIAMQRFTQZ-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccccc1C(C)(C)C	163839873	AOWYAFYNOMIOEK-HIFRSBDPSA-N	245.410	4.975	0	10	BJAE	
CCCN[C@@H](c1ccoc1)C(CCC)CCC	164952571	QMBDCIJCBGXQRM-OAHLLOKOSA-N	237.387	4.537	0	10	BJAE	
O=C(CCCc1ccccc1)CC1CCCCC1	165204337	GCOVFQVDNKDVSD-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@@H]2CCCCC[C@@H]2C)c1	203528197	QGWUQMQWKJSYBK-ZMSDIMECSA-N	245.410	4.614	0	10	BJAE	
Cc1ccc2c(c1)nc(Cl)n2C1CCCCC1	217624747	LNNHDCQFFIBSAR-UHFFFAOYSA-N	248.757	4.503	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCCCC1CCCC1	225057591	NNRBNMNMUDZECI-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CCC1CCCCC1	300956619	PUAACYJNLDJIJL-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1sccc1Cl	300965599	ZBATZDZNPPATHF-SNVBAGLBSA-N	246.803	4.651	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CCCC(C)(C)C)C1	304139841	GWCUUUJKBVVIIU-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC[C@H]1[C@H](N)CCC1CCCCC1	305905379	CNNKHCXFDZCGOP-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCCC1=O)C1CCCCC1	310158020	KXTJNKMQDYVPBQ-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1(C)CCCC1)NC	310425097	RKGLZPYRWCLKKU-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C1CCCC1)C(C)(C)C(C)(C)C	310467902	HMAPZJLFHVBDSE-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)([C@H]2C=CCCCCC2)C1	310698517	BWOHXPSSBVGXSO-IXDOHACOSA-N	249.442	4.668	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H](C)C2CCCCC2)c1	311184278	AEGOMPJLOSDXGQ-CQSZACIVSA-N	244.378	4.784	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(C)(C)CNC(C)(C)C	318647229	AMEGPKICWXSDSC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1csc(Cl)c1	379001763	WTWZOJOAQYIXQS-SNVBAGLBSA-N	246.803	4.651	0	10	BJAE	
CCc1ccccc1CNCCCCCC(C)C	383179506	MPGXYXDSTUHDON-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H]1CCC[C@H](C)C1	383207455	BHJBBOOBTDTYMP-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@@H]2CCC[C@H](C)C2)CC1	383345999	SYUZYWMMZDFRKC-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(N)CCC(C)(C)CC2)C1	383600189	QBBREFXBDXKRCE-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H]2CCCC[C@@H]2C)cc1	384492845	MDBDDZTYABPZRD-XKQJLSEDSA-N	246.394	4.670	0	10	BJAE	
Cc1ccc(N[C@H](C)CC(C)(C)C)c(C)c1	384802608	TTXPRLSAVZTQGL-CYBMUJFWSA-N	219.372	4.540	0	10	BJAE	
CCCC[C@H](CCC1=CCCCC1)NCCC	384885499	WENCNSYOBMKEJP-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)CCC1=CCCCC1	386346282	XTJZUOUNODDJSS-CQSZACIVSA-N	238.415	4.700	0	10	BJAE	
C[C@H](CN[C@@H]1CC12CCCCC2)C1CCCCC1	387374403	XWWCWGXODFLYIW-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC1(NC[C@@H]2CC(C)=C[C@H](C)C2)CCCCC1	389645062	OGJOEOAKNDJLHS-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CN[C@H]2CCCC[C@H]2CC)CCC1	391808066	LUQARMOOPJUBLT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(Cl)cc1NCC1(C)CCCC1	393827910	STMAXAPPSUSLPK-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
Cc1c(F)cccc1NCC1(C)CCCCC1	394546911	FIYZNAJOWUHAFN-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCC(C)(C)CNc1cccc(C(C)C)c1	394659227	RMUIEYUIAITVQK-UHFFFAOYSA-N	219.372	4.658	0	10	BJAE	
Cc1cscc1[C@@H](O)CCCCCC(C)C	394760479	LTLHETXRGFPUKK-AWEZNQCLSA-N	240.412	4.696	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(C)c(F)c1	395141202	YLUMUESXGUZIND-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCCCC2CCCCC2)C1	395276490	XSBBTVGVBPULBD-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(C[C@@H](C)C1CCCCC1)C(C)(C)C	395453416	ZMQWMFVLMQWZCM-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCOc1ccc2cc(CC)sc2c1Cl	396200802	SYBYTBDUECIUFR-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc(CC)c2scc(CC)c2c1	396204988	KDBVPFOILOMOLH-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CCc1cc(F)c2ccsc2c1C(F)(F)F	396295205	IMDCYUVYYRJWNN-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCC[C@@H](Nc1cc(C)cc(C)c1)[C@@H]1CC1(C)C	397601804	MBXJRPMJGXFLCH-JKSUJKDBSA-N	245.410	4.930	0	10	BJAE	
CCCCCC[C@H](C[C@H](C)C1CCC1)NCC	398696796	IKYCVDZNTVPEJG-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNCCC(C)(C)CC	686310783	NBWMPCMTSKRKRL-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCc1cc(N[C@@H]2CCCC[C@H]2CC)ccc1F	690101510	CCRFQZPQTSOAQM-MLGOLLRUSA-N	249.373	4.769	0	10	BJAE	
CCC[C@H](C)CNc1cc(C)c(Cl)c(C)c1	690249386	PBMYQCNXVJZUSX-JTQLQIEISA-N	239.790	4.805	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1CCCC2(CC2)C1	695716044	IYOWLGJUFQKAQU-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC(C)(C)C(C)(F)F	697030250	IDHFTJLDGSSKPY-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
Cc1cccc(NC2C[C@H]3CC[C@H](C2)C3)c1Cl	697697990	GEZKMOZMDHZYMU-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CC[C@H](C)c1ccc(NCCC(F)(F)F)cc1	698527478	FKGNQOXXBBXLNB-JTQLQIEISA-N	245.288	4.564	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)C(C)(CC)CC	701089637	GEHOVGANPRIWET-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)C(=O)c1c(C)cc(C)cc1C	701363472	GONHIQMXZKZLAG-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@](C)(O)CC1CCCCC1	704882671	HQQRCHHLQOJKDF-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C1CCC(C)(C)CC1	704936241	GKWHKNKKQRSZFA-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@@H](C)CC(C)C	708315146	SXBVHMXFFCRYSF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CNCC/C=C/C[C@H](C)CC(C)(C)C	709085538	NWVCRTASIVARAC-KIUWMYQTSA-N	239.447	4.641	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)[C@@]23CCCC[C@@H]2C3)c1	709131413	OKNWXWOXKVLWCO-IOASZLSFSA-N	247.357	4.515	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H](C)CC(C)C)c1C	709133485	ZCACBSJKTXMZOS-CYBMUJFWSA-N	246.394	4.785	0	10	BJAE	
Cc1ccc([C@](C)(N)C[C@H](C)CC(C)(C)C)cc1	709148070	TTWYTMYNZABSNG-RHSMWYFYSA-N	247.426	4.631	0	10	BJAE	
Cc1ccc([C@@](C)(N)C[C@@H](C)CC(C)(C)C)cc1	709148073	TTWYTMYNZABSNG-YOEHRIQHSA-N	247.426	4.631	0	10	BJAE	
CC[C@@H](C[C@@H](CCCC(C)C)NC)C(C)(C)C	711100421	YWYPZYOTFJIYJQ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
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CC(C)c1ccc(OC[C@@H]2CCC[C@H]2C)cc1	1944783493	FZHKUQAPCAGDSY-HIFRSBDPSA-N	232.367	4.625	0	10	BJAE	
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CCCN[C@H](CC1=CCCCC1)[C@H]1CCC[C@@H]1C	2055283916	ILDDIOWLRNIIGM-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC=C[C@H]1NC1CCC(C(C)(C)C)CC1	2055564681	KYQWWLQUFWAVPS-PRLABOORSA-N	249.442	4.536	0	10	BJAE	
C[C@H]1CC[C@@H](C)[C@H](C)[C@@H]1Nc1ccc(CF)cc1	2055675717	YAUVAYMKZDHTCA-LMOYCYGVSA-N	249.373	4.639	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C2(C)CCC3(CC3)CC2)C1	2056556292	GYDULMWAIQLXJJ-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC[C@@]1(CC2CC(C3CCC3)C2)CCCCCN1	2056645971	QGQQSHZRMPTLBY-PREGVCBESA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC([C@@H](N)C=C2CCCCC2)CC1	2056874994	BQFDMKGMYNBCGP-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2CC(C3CCC3)C2)CC1	2058992269	QLHXLKBIKWDZEL-JMVNKWJPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2CC23CCCC3)CC1	2059003545	OWMBZURGXNOJQP-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@@H]2CCC[C@@H](CC)C2)CC1	2061118661	JCROOEMWMHCQKQ-MUIFIZLQSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CC[C@H](C)[C@@H]2C(C)C)CC1	2061121770	JHSKESPDOMJDQY-HDEZJCGLSA-N	249.442	4.523	0	10	BJAE	
Fc1cccc(F)c1CCC1CC(=C2CCC2)C1	2061729392	VZXSRPHDCGDVGW-UHFFFAOYSA-N	248.316	4.788	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](C[C@H]2CCC=CCCC2)C1	2063712633	FVMBGRFHTVFAQW-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CC(=CCC1CCCCC1)c1ccc(CN)cc1	2067353847	PRUXBAFCZKRZIU-UHFFFAOYSA-N	243.394	4.519	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CC3CCC2CC3)CCC1	2069284319	IMYKXTIEWKIWBQ-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1([C@@H](N)CC23CCC(CC2)CC3)CC1	2069523643	NGSFUMYXAQPPFV-PCKAHOCUSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)C1CC2(CCC2)C1	2070408507	PHQRSGOVFYEOFU-GJZGRUSLSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)C1(CC(=O)C2(CC3CC3)CC2)CCC1	2071918593	UVGIRAKIFQMAFX-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C1CCCC([C@H]2CCCN2CCCC2CC2)CC1	2071958213	JOKMSLZQDYNCEQ-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1cc(F)ccc1C	2072416520	GNLIJSLNKWBEDM-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](C)c2ccc(N)cc2)CC1	2072808433	GIQYUXBCQVTMSX-KKUMJFAQSA-N	245.410	4.979	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)C=CCCCC2)CC1	2072872950	JAIUPEZVTDDXAQ-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CCCC1CCC(CC(=O)c2cocc2C)CC1	2072878598	OQQRMUBJWXXGOL-UHFFFAOYSA-N	248.366	4.767	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2073341556	KUIGLGCXVLUJIE-YYIAUSFCSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCCN([C@H]2CCC23CCCCC3)CC1	2075013722	WWRXDGHQLNUJQY-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@H](NC)c1ccc(C(C)(C)C)cc1	2077189422	HUVRUWPVYYGMMH-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CCCCCc1ccc(C(=O)C[C@@H]2CC2(C)C)o1	2077972317	FCRJXAVECADCQG-GFCCVEGCSA-N	248.366	4.631	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2C[C@H]2C2CCC2)CC1	2079318688	CSPDTGXKZOWTAJ-SDADXPQNSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@H]2C[C@H]2C2CCC2)CC1	2079329329	RBQLBKABQBYXNS-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2C[C@@H]2C2CCCCC2)CC1	2079437145	ZTOWXBYJYRDPSU-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CC1(CCCC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1	2079484002	GZVGMPROWOCDLB-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079630523	WLNIUFHVVZRMJC-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CCCNCC1([C@@H]2C=CCC2)CCC(C)(C)CC1	2081682195	OYELESDCBPAZNK-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2CCCC3(CC3)C2)C1	2083039264	SONODVWVQYRJAR-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCC1C[C@@H]2CC[C@H](C1)N2[C@H]1C=CCCCCC1	2084425102	PFZWPOUQENBQFP-YNBOMUFVSA-N	247.426	4.528	0	10	BJAE	
CC(C)(C)CCCC1(O)CCC(C2CC2)CC1	2213697230	DFDKZFZUZDKXKR-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(O)(CCCCC2CC2)CC1	2214563377	PYEGCBCYTJBZDQ-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC[C@H]2C[C@H]2CC)C1	2215323273	CRCXKXHNPABXBB-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCNC[C@]1(C)CC=C(C)CC1	2215820131	AYJLODDQZYFTHW-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)C[C@]1(CN[C@@H](C)CC)CC=CCC1	2217131588	XZKCLJCZJZAONU-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CCCC(C)C)C(C)C	2217135565	GPPGRZVXCCOQMA-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@@H](CCC1CCCC1)C(C)C	2217152136	BKVPPNGEPMWUFT-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@]1(CN[C@@H](C)CC)CC=CCC1	2217152867	HXLIZVODPPLOHV-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCCC1(CN[C@H](C)CC)CC2(CCC2)C1	2217157675	UVNCTNPPABWCNZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
N[C@@H]1CCCC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218361193	KZBXZQVWPRRRMS-DMRKSPOLSA-N	249.442	4.501	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@](N)(CCCCC1CC1)C2	2220042314	SMILTQWCDROYNV-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CC1([C@@H](O)CCC2=CCCCC2)CC2(CCC2)C1	2220938010	VIBVWUAFSBRVOR-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@]1(C)CC=C(C)CC1	2221609716	MBJJANUVYUARTG-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC(=C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)CCCCN	2222947615	BIIRQSXVKAAMGM-GVDBMIGSSA-N	249.442	4.668	0	10	BJAE	
CC(C)(C)C[C@]1(CNC2CCC2)CCCC12CC2	2223604486	MVZNVMKPQZNULZ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1csc(C)c1C	2242648193	OJOKLQYZBLKUPU-ZDUSSCGKSA-N	240.412	4.615	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cc(C(F)F)cs1	2244797702	SABULGBUTIPZHO-GZMMTYOYSA-N	247.354	4.512	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC(=O)C(C)C	2244871805	MRSOOJMVHSKCSC-AWEZNQCLSA-N	226.404	4.844	0	10	BJAE	
CCCNC[C@](C)(CCC)CC1(C)CC(C)C1	2246540321	QPETYQAHEMTCOX-HWOWSKLDSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC[C@@H]1CCC[C@H](C)C1	2246678349	IPKQWNAHZMBFSE-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)CCC(C)(C)C2)C1	2246733110	PTILWCLWVOJQFL-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC)CCC[C@@H]1CCCC12CC2	2247600432	JSXNVERUUPWHQM-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC(N)(CCC)CCCCC[C@H]1C[C@H]1C	2248879336	MEZGZLLDCNVVJJ-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@H](CC)CCC	2250358899	AWAMSUCXWQVXRX-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1(CC)CCC1)NCC	2250359639	DWFSLLTWVBXEEP-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@H](CC)CCC	2250372133	OMKQZWDALAFMHA-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCN(CC[C@H](C)CCCC(C)C)C(C)C	2250467024	MQEDIYLJVCCOEZ-MRXNPFEDSA-N	241.463	4.959	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC[C@@H](N)C1	2250468424	CYQJYQTZHXBJIG-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CC[C@H](C)C1=O	2250490019	DYEXPIXXMFEPMO-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)C[C@H]1C[C@H]1C	2250528301	MNCMPVHHVFSZSY-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@@H]1CCNc2ccc(F)cc21	2251637438	RMMZXQBGNNGEAA-GFCCVEGCSA-N	235.346	4.695	0	10	BJAE	
CCCNC[C@@]1(CC2=CCCCC2)CCC[C@H]1C	2255098499	DEVOVVVHZNZJKL-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](CCC1CC1)CC[C@H]1CCCC12CC2	2255291103	MGMQYDSLNUXPDK-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NCCCCCCC1CC1)[C@H]1CC12CCC2	2256415031	DUYFLBMJKOGVOX-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H](C)[C@@H]1CC12CCC2	2256449949	YIVMHZNWUNZMLE-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CC(C)(CCC(=O)[C@]12CCCC[C@@H]1CC2)C1CC1	2260534879	COSUYSVNAPWUCO-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
CCCCC1CC(N)(C[C@@]23CCCC[C@H]2CC3)C1	2260678998	OTSMCNJHYGVRMR-YZUHTNEWSA-N	249.442	4.645	0	10	BJAE	
CC1CC(CC[C@H](N)[C@H]2CCC3(CCCC3)C2)C1	2261490408	KPJUZZNFNAUDGD-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@]12CCCC[C@H]1C2	2300501295	LORAFRACDOIAGN-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@]12CCCC[C@@H]1CC2	2300683685	MFJYMVDFMRZELW-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCC[C@H](C)CC1	2300684852	YQFBEFJLVRHOEW-DZGCQCFKSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@H]1CC[C@H](CC)CC1	2300685132	BGKVJTOGEYQZRA-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CCC(CC)CC)CNCC(C)C	2300702490	YFCQXFARDQKWJF-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cc(F)ccc1C(F)F	2300826778	RAIMVQXKJAXXPT-IUCAKERBSA-N	245.288	4.610	0	10	BJAE	
CCC(C)=CC[C@]1(N)CCC2(CCCCC2)C1	2300904270	MZQMRADLZNIDBH-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CN[C@H](CCCC1CCCCCC1)C(C)(C)C	2301143926	YLFRCBGYISGOOH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC=CCCCCc1ccc(F)cc1C1CC1	2301252464	ICZIFMQKPWJFSN-UHFFFAOYSA-N	232.342	4.992	0	10	BJAE	
Cc1ccccc1-c1nc(C2(C)CCC2)cs1	2301271341	LMCQVCLZXJAVNW-UHFFFAOYSA-N	243.375	4.560	0	10	BJAE	
CCC1(C)CCC(N[C@@H](C)[C@@H](C)C(C)C)CC1	2301715534	XIJAOIRIVSHWOW-FXQLRMTLSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CCC(C)(C)C1CC1	2302614638	DEUXXZRAAYEPMU-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CCC(C)(C)C1)C1CCCC1	2302764723	BDTSAANNZFJNDI-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1N[C@@H](C)c1ccc(C)cc1	2302892324	KNUQOIBGMFVABO-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CCC1CC(Nc2cccc(C(C)C)c2F)C1	2307570169	JIJHAJRDIFICKC-UHFFFAOYSA-N	235.346	4.550	0	10	BJAE	
CCCNC[C@@]1(C[C@@H](CC)CCC)CC1(C)C	2307747894	UHSOZXDAKFTIIY-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H](C)C1CCCCC1	2307904255	RYDATZHEWVVRRI-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@H](Nc1ccccc1F)C2	2308400118	JICAYFFYCCEHKK-IOASZLSFSA-N	247.357	4.597	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)C[C@@]23CCCC[C@@H]2C3)C1	2311161724	IXQONTORYLQIQX-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCC1	2311500392	CNVARDMYZMXEFP-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
C[C@@]12CC[C@H](NCCCCCCCC3CC3)[C@@H]1C2	2312601016	NOHBSVXOFHTQIH-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1C2	2313192786	MSLFRXXHZDXZQW-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C[C@@]12CCC[C@@H]1CC2	2313326661	MYVGVBKTQWKYGJ-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CCC1)[C@@]1(C)C=CCC1	2313589785	GXQARPHZBLFRFJ-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCC1)N1CC[C@@]12CCCC(C)(C)C2	2313612172	KWEJEWXKKMLPGM-WMLDXEAASA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C(CC2CC2)CC2CC2)C1	2313692982	SPVJJMLRKRJNAL-MLGOLLRUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@](O)(c1ccc(C)c(CC)c1)C(C)(C)C	2314636080	KUULHYDBJXMVCQ-QGZVFWFLSA-N	248.410	4.591	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)c1ccc(C)c(CC)c1	2314647897	GKWBLBFZGGBDRN-RHSMWYFYSA-N	247.426	4.644	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCC=C(C)C2CC2)CC1	2315265238	VTKRULBKYPRMPS-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)c1cc(C)cc(C)c1	2316274506	ATAKYSGHMFGUEV-QGZVFWFLSA-N	247.426	4.694	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C12CCC(CC1)C2	2316504605	VNDQRMDCNZIYSJ-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316744472	OLUZWBAUKBKCDB-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N[C@H]1C[C@@H](C)c2ccccc21	2317631425	XFEKCOVTUIAHQL-WBOJAVRRSA-N	245.410	4.505	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@H](C)[C@@H](C)C(C)C	2317998866	VPYVTJFSVNJUGS-ZMSDIMECSA-N	248.410	4.603	0	10	BJAE	
C[C@@H]1[C@H](N[C@H]2CCC3(CCCCC3)C2)CC1(C)C	2318240825	LVCATYFARWALQA-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CN[C@@H]1CC[C@H](C)C[C@@H]1CCCC1=CCCCC1	2318573853	WZLLIWINSSJNPR-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1CCCC1=CCCCC1	2318589681	SZQKRZUMXPKOCM-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1N[C@@H](CCC23CCC(CC2)CC3)CC[C@H]1C	2319033308	AGONQUIUQAFHKZ-QSFKDOLUSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)c2ccc(F)cc2)C1	2319290676	JQFNSDPOXRFPPK-GFCCVEGCSA-N	248.341	4.615	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1NC1CC2(CCCCC2)C1	2320143196	GYABXJNGCIMLAL-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(C[C@H]2CCC(C)=C(C)C2)C1	2320327414	APYOJWNICWVYEK-IXDOHACOSA-N	249.442	4.668	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)=C(C)C1)C[C@@H]1C[C@H]1C	2320329796	VGSNGPBLALGSCS-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H]2CCC(C)=C(C)C2)CC1	2320410525	FMZNAHILFATOAY-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC[C@@H](N[C@@H](CC1CC1)C1CC1)C1CCCCC1	2320520595	JDERLTRRBTUODT-SJORKVTESA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@H]2CCC[C@H]2C)c1	2320572305	UBYVVAFUUKMBOQ-HIFRSBDPSA-N	244.378	4.819	0	10	BJAE	
CC(C)c1cccc(C(=O)CCCC2CCC2)c1	2320573245	MDNXUHDYHLQGTK-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
C[C@H]1NCCC(=CCCCCCCC2CC2)[C@H]1C	2321292382	HXOHYRFUESTGBW-LSDHHAIUSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC/C(C)=C/Cc1ccccc1O	1530273	GWMVTXXXCDWZQS-SDNWHVSQSA-N	230.351	4.627	0	10	BJAE	in-vitro
CCCCCC[C@H](C)Nc1ccc2[nH]ccc2c1	20520264	YWGABHXGXAIHDM-ZDUSSCGKSA-N	244.382	4.939	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCCC[C@@H]2C)CC1	20553956	JYSTXFSMZSLZAM-SLTXQBBLSA-N	237.431	4.514	0	10	BJAE	
CCCCCN[C@H](C)c1ccc(C(C)(C)C)cc1	21508757	BYPHDAUCCRRAOI-CQSZACIVSA-N	247.426	4.825	0	10	BJAE	
Cc1cc(C)c(CN[C@H](C)CCC(C)C)c(C)c1	21513902	SSMYPMOKBRXTOA-MRXNPFEDSA-N	247.426	4.526	0	10	BJAE	
CC(C)CCC[C@@H](C)NC1CCCCCC1	21817525	UXKXJEXISABURE-CQSZACIVSA-N	225.420	4.514	0	10	BJAE	
CC(=O)c1ccccc1-c1cccc(C(C)C)c1	35077066	FKEPFQGYBKMKBS-UHFFFAOYSA-N	238.330	4.680	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2ccccc2Cl)C1	70682627	YQEGOIVJOFVDQI-LLVKDONJSA-N	237.774	4.721	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccccc2C(C)(C)C)C1	80432652	LKEGQOXKBFDLDD-KBPBESRZSA-N	245.410	4.975	0	10	BJAE	
Clc1ccccc1Nc1ccc2[nH]ccc2c1	82715125	ZFEILINBYNQYML-UHFFFAOYSA-N	242.709	4.565	0	10	BJAE	
CC(C)CC[C@H](C)n1c(C(C)C)c[nH]c1=S	82944982	VGLPRQFKXORUEU-NSHDSACASA-N	240.416	4.666	0	10	BJAE	
CC[C@@H](Nc1ccc(Cl)cc1Cl)C1CC1	83054088	HOOQTGRMMMMTLS-LLVKDONJSA-N	244.165	4.594	0	10	BJAE	
Cc1ccc(Cl)c(C)c1NCCC(C)(C)C	83367715	VYUYDZHUEXGZPS-UHFFFAOYSA-N	239.790	4.805	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC[C@H](NCC)C1	83824957	RNJDIUWBAJTKPL-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1cscc1C	87288402	PVKCAZBUUGCMCJ-JSGCOSHPSA-N	239.428	4.663	0	10	BJAE	
CCCCCC[C@H](N)C1CCCCCCC1	87690301	XHNHXLSGZTYYON-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCCC1CCC([C@H](N)C2CCCCC2)CC1	87963051	FROWVYZSLYATHC-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CO)c1ccccc1C	93107264	BDCHKQQWWJOUAA-HOTGVXAUSA-N	248.410	4.677	0	10	BJAE	
CCCN[C@H]1CC(C)(C)c2ccc(C(C)C)cc21	94270508	PHNFAIFJRQLAPI-INIZCTEOSA-N	245.410	4.532	0	10	BJAE	
CCC1(C(=O)c2ccc(C(C)C)cc2)CCCC1	94899216	JGDKTZWZMSCRPA-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCC[C@H](CC)CNc1cc(C)ccc1C	104008522	FCIBLZIABBHTKV-HNNXBMFYSA-N	233.399	4.932	0	10	BJAE	
Cc1ccc(F)cc1NC1CCC(C(C)C)CC1	104047909	AUQQTZGSHLXQJV-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)c1ccc(C(C)C)cc1	109718177	ICQZYASQVZTFEE-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
CC(C)COc1cccc(N[C@@H](C)CC(C)C)c1	109905577	YJGAPRALXNYYCS-AWEZNQCLSA-N	249.398	4.568	0	10	BJAE	
CC(C)c1cc(Cl)ccc1C(C)(C)C	142461982	IPLPYRGLQRDLOP-UHFFFAOYSA-N	210.748	4.761	0	10	BJAE	
Cc1ccc(CC(=O)C[C@@H](C)CC(C)(C)C)cc1	164077707	WEXZIFKKMJLIAO-CQSZACIVSA-N	246.394	4.569	0	10	BJAE	
CC[C@@H](C)[C@H](C(=O)CCC1CC1)c1ccccc1	166580391	ZXYYRKGZTONNGQ-DYVFJYSZSA-N	244.378	4.576	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@@H](C)CC(C)(C)C	167137020	CKLBIQZFTDQINV-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)NCC1(C2CCCCCC2)CCCC1	168017026	MFEXOHGXHYTKIK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@H](C)CC(C)(C)C	168153821	PADGKUNIXYWCPH-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@](O)(CC1CCCCC1)c1ccccc1	203674792	CXSQQWGHRVWGBJ-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCC[C@H](C3CC3)C2)C1	225037400	FKMQLGJVXAQWDE-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CN)CCC[C@@H](C)C1	227345494	SEUUIPVXOCVXDL-OWCLPIDISA-N	239.447	4.748	0	10	BJAE	
C[C@@H](N[C@H]1CCC12CCCCC2)C1CCCCC1	230169517	BBUWMAYBEHPHSG-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@H](Nc2ccc(F)cc2)C1	230765527	FQPSORWTBZLRMC-CZUORRHYSA-N	249.373	4.843	0	10	BJAE	
Cc1ccc(N)cc1NCCCCCCC(C)C	232541608	MUPVTAWKOPGMQE-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
CCCN[C@@H](CCC)c1scc(C)c1Cl	233122100	ZLNVVDCLCKSOHB-JTQLQIEISA-N	245.819	4.551	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	253049507	SRUSDQYILQLDOY-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@H](C(C)C)CC[C@H]1C	256167573	LQCPRQMDPSFTCI-LVQVYYBASA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@H](C[C@@H](C)CC(C)C)NC	300871132	HORGIONLLXCFGX-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
N[C@]1(CCC2CCCCC2)CCC[C@@H](C2CC2)C1	302253128	LNKAUEWYVOOXJK-SJORKVTESA-N	249.442	4.645	0	10	BJAE	
CCC1CCC([C@@](C)(O)CCC(C)(C)C)CC1	302462774	DZRSFWUSLCAYGJ-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CSc1ccccc1NC(C(C)C)C(C)C	304606921	WCFXSERLRNAVIY-UHFFFAOYSA-N	237.412	4.501	0	10	BJAE	
CC(C)C[C@H](C)CNc1ccc2sccc2c1	305939342	LENRYXGDKWPBLB-LBPRGKRZSA-N	247.407	4.995	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)C1CCC(C)(C)CC1	305994038	UBNJTEIUMQLXMI-HIFRSBDPSA-N	240.431	4.636	0	10	BJAE	
CCc1cc(N[C@@H]2CCCC[C@@H]2CC)ccc1C	306044874	SSOLMOMYZODXLW-WMLDXEAASA-N	245.410	4.938	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CCCC(C)C	308041250	AMFYZMQRDSOLEK-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(O)CC1(C)CCCC1	310415730	PNNZCUKGTIERGM-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1N[C@@H]1CCCC12CCCCC2	313005512	BWORSQUQGATUPW-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@](C)(CC)[C@H]1CCC[C@H](CC)C1	317797648	WBFCDENCDWLVKL-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC(C)C)CCCC[C@@H]1C	318045038	JNHMEEUQTASXNA-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@](CNC2CC2)(CC2(C)CCCC2)C1	319086193	SFXKIPBBACSUKF-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@H]1CC[C@H](CC)CC1	328494583	ZPYIRNRRDSCQDG-DZKIICNBSA-N	249.398	4.537	0	10	BJAE	
Cc1ccc2oc(C(=O)[C@@H](C)CC(C)C)cc2c1	381082653	IXOBELHEFRECIB-LBPRGKRZSA-N	244.334	4.606	0	10	BJAE	
CCNCC/C=C(/C)C[C@H](C)C1CCCCC1	382416378	MIDRIDINGLLZEP-MZLJFPOFSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1cccc(C2CCC2)c1	382500204	RJBYHTZWSKFRKS-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CC[C@H](N[C@H](CC)C1CCCC1)C1CCCC1	382774890	BDVAITOWSXPMPF-IYBDPMFKSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)c1cc(C)cs1	383052635	AWMXRWZNFNFNAW-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
C[C@@H](CC1(O)CCC(C)(C)CC1)c1ccccc1	384305481	KNBPNKUEQACAKQ-AWEZNQCLSA-N	246.394	4.512	0	10	BJAE	
CCC1CCC(CNCCC2=CCCCC2)CC1	385133300	HIYLJUNLKWQVPY-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
Cc1csc(C(=O)CCC2=CCCCC2)c1	385898010	OFNGQQGOFXMULZ-UHFFFAOYSA-N	234.364	4.520	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)c1ccc(C)c(C)c1	386465765	FVETWELHZZIZGJ-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H]2CC23CCCC3)CC1	386934454	SFYZNRCNAPLUHP-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@H](C)NCC2(C)CCCCCC2)o1	394660641	KMTOWXFVHCTHSB-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CCc1cc2c(C(F)(F)F)cc(F)cc2s1	396298516	MVNQVUQXZRRJGW-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@@H](C)C(C)(C)C	399131148	TZALOZBWTVQXOL-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNCCC1=CCCCC1	401862839	ZYPKRKVVZSIIEA-IRXDYDNUSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CCC(C)(C)C2CC2)C1	405979380	IMXMAUASHSYRFS-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(CC[C@@H](O)C1CCCCCC1)C1CC1	406064358	NZGBVBYKSPQRRE-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CC(=O)[C@@H](CC)CC(C)C)CC(F)F	688868119	MFLREWFEZDLTGC-RYUDHWBXSA-N	248.357	4.699	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCCCC1CCC1	689071492	WAVYVGANLGIULV-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1ccc(C)cc1F	691132169	BDPNOHMRAKIFNP-UKRRQHHQSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1c(C)cccc1F	691137090	JINFSRVSURICCC-HIFRSBDPSA-N	249.373	4.905	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)C1CC(C)C1	691950997	HASBMOHKGZTCBI-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCc1ccc([C@@H](C)N[C@@H](C)C(C)(C)CC)cc1	695098637	MGQYLFOGWQSNQB-KGLIPLIRSA-N	247.426	4.724	0	10	BJAE	
C[C@H]1CC(CN[C@H]2C=CCCCCC2)C[C@H](C)C1	695337898	ZDVIXJRAIPIIBG-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)c1cc(C)cc(C)c1	696594787	RNRSSJBBBQFUHK-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccc(C(C)C)cc1	701070293	LEPIKFLPXPSWOH-OAHLLOKOSA-N	234.383	4.670	0	10	BJAE	
CCC(C)(C)[C@@H]1CCCCC[C@@H]1CNC(C)C	701150078	WUCKQHOGDQLHTM-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](c1cc(C)ccc1C)[C@@H](C)CC(C)(C)C	704726668	CEGRNKNLVRDILV-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
Cc1cc(C)cc(C(N)(CC(C)C)CC(C)C)c1	704911223	SRAIPLGSRQAAIU-UHFFFAOYSA-N	247.426	4.550	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CC2CCC1CC2)C1CCCC1	704936319	ADRSKBWLCLNZFF-UMPYDWHISA-N	249.442	4.501	0	10	BJAE	
C[C@H](NCC1CCCCCC1)[C@]12CCCC[C@@H]1C2	709245907	MMGNQGMGBDMGLS-USXIJHARSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)CCN[C@H]1CCC[C@@H](C(C)C)CC1	710143328	NKCFDIPEMDEFSE-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](N)CC1CCCCCC1)C(C)(C)C	711154920	YQLAEXKUTVYOIH-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(O)C1CCCCCC1	713033092	UCXHWOXSBJGSEK-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C=C/C=C/CCc1cc(C)cc(C(C)(C)C)c1O	713687096	TXRYIJRUORGOEG-BQYQJAHWSA-N	244.378	4.673	0	10	BJAE	
C=C/C=C\CCNc1cccc(-c2ccccc2)c1	713716507	CMTVIZCRWKNCFV-ARJAWSKDSA-N	249.357	4.898	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)CCC(C)(F)F	713975812	SDJHIOHEUDXSPT-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H]1c2cc(C)ccc2[C@@H](CC)[C@H]1CC	714356855	POLUQIBPZJTIGT-VBQJREDUSA-N	245.410	4.569	0	10	BJAE	
CCc1ccc([C@@H](CCC(C)=C(C)C)NC)cc1	718515737	XSIDYUWPICXLBR-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC[C@@H](C[C@@H](N)CCCC(C)(F)F)C(C)(C)C	718610474	JHWCUVVRCOOCST-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CC1(C)C)NCCC	723179074	PRLBBNQVPGKWRF-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC(C[C@H](N)C2CCCCCCC2)C1	723540821	NIXQKCWBLWBWEA-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCN(C[C@@H](C)CC(C)(C)C)C1CC1	1459305894	FJYLFDPUPGBMJF-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
c1ccc2c(c1)CC[C@@H]2SCC1CCCCC1	1651780437	JEPLFVHVVUIAAD-INIZCTEOSA-N	246.419	4.987	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC2CCC=CCC2)CC1	1658048684	OHZIISJEIGPBIO-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](NC[C@@H]1CCC12CCC2)C1CCCCC1	1875437966	UJTRPAUQERSMOL-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCC1)NCC1(C)CCC2(CC1)CC2	1875732412	UEQSMEGXZDODER-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@](C)(O)CCCC(C)C)CCC1	1900579087	BHCYZGMEOSRTPA-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](NC)c1sccc1C	1900690770	KLASMDGYVRKRNT-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
c1csc(-c2nc(C3CC4(CC4)C3)cs2)c1	1903404313	KDSJRERQTBPMEI-UHFFFAOYSA-N	247.388	4.529	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@H](CC)CCC	1905448125	XVFSFBWNPFZWPF-QLFBSQMISA-N	228.420	4.780	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NCCC=Cc1ccccc1	1911999322	DKRABCMGBLKELB-HZPDHXFCSA-N	245.410	4.504	0	10	BJAE	
CN[C@@H]1CCCCCCCC[C@@H]1CC(C)(C)C	1913411479	BKIDZPALEGENBG-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC=CCNCC1(CC(C)C)CCCC1	1914685493	JGAXUNCTGSDWQN-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CCC2(CCCCC2)C1	1915872836	UKUKZGPIUXQHGE-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
O[C@@]1(C[C@H]2C=CCCC2)CCC2(CCCCC2)C1	1915892947	PBPVNKMXPPUUBX-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CCC2CCCCC2)[C@@H](C)C1	1916103353	FDCMCJSVQPZKEP-YDHLFZDLSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C1CC(CCC)C1	1921259830	QWTGOACDFNVPAN-JCYILVPMSA-N	249.442	4.703	0	10	BJAE	
CC[C@@H](C(=O)CC[C@@H]1CC1(C)C)c1ccccc1	1921419061	KGYRLHVGEPCMII-HUUCEWRRSA-N	244.378	4.576	0	10	BJAE	
CC=CC[C@@]1(CNCC(C)C)CCCC12CCC2	1921658190	TVMLDPHBKCYFLA-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
C1=C[C@@H](Cc2ccc(OC3CC3)cc2)CCCC1	1925830427	PXUVGTZHUWHWSH-CQSZACIVSA-N	242.362	4.517	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)CC(CC)CC	1926160456	YRHKXRNASFYTAB-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H]1CCC1(C)C	1926189602	QBAHSADATMCMLE-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1sc(Cl)cc1C(=O)[C@H](C)CC(C)C	1933565376	JEHBYNPSPVWAKY-MRVPVSSYSA-N	244.787	4.575	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H](CC(C)C)C(C)C	1936209311	NFVSVUPGBXMKQP-KBPBESRZSA-N	226.404	4.700	0	10	BJAE	
COCC1(CCCC(C)=C(C)C)CCCC1	1937892394	YAKYXTJWRIVLEN-UHFFFAOYSA-N	224.388	4.720	0	10	BJAE	
CCCCC[C@@H](N)[C@H]1CCCC(C)(C)CC1	1939902363	CUZIMUKKZUPEEL-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(CC)[C@H](CCC[C@H]1CC1(C)C)NC	1940879252	CAGSTZGTOSMBNE-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1(CCCn2ccc3c(Cl)cccc32)CC1	1940884624	UKFIOVUMAVEFRZ-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CC1CCCCC1)NC	1941265780	XVPNJWVQYMKYFT-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@@H](CC)C(C)C	1941273817	VPBNAEJVYKMJSA-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@H](CC)C(C)C	1941274138	XCLYOUHLWFPDGM-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(CCCCCC2CC2)C1	1941582279	UUOJUDKSPVXNAS-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)C(C)(C)C1CCCC1	1944635176	OKUNRPVJDTVAGZ-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C(C)(C)C(C)C	1944665826	KBQYYJWHIDYDPH-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H]1COc1cccc2sccc12	1944787405	ZYYFPOJZKKUWGN-NWDGAFQWSA-N	246.375	4.716	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@H]2CC[C@H]1C2	1947113812	ZNGHPHDJBZUILU-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cccc(C)c1C	1947464802	QTGCWCGRHHEFRI-ZBFHGGJFSA-N	231.383	4.684	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CC[C@H](C)[C@H]1C(C)C	1947515608	NESSZQBUBLRKTQ-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CCC(=O)c1ccc(-c2cscc2CC)cc1	1948009836	WWOSOKNKIMSOKJ-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@@H](C)CC(C)C)cc1F	1948329472	ZZYFIOZKLLWHKH-STQMWFEESA-N	237.362	4.617	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCCC12CCCCC2	1949085491	GPKVNODEHKPCPL-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)CC1CC2(CCC2)C1	1949743334	ZZXDQTRPAJJGJG-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](N)[C@@H]1CCCC(C)(C)CC1	1950922481	OEJNEQIUJUXLOL-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@H](NC2CC(C3CCCCC3)C2)C1	1965989664	NQPDKGMALKWULZ-PXZKZTPFSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)cc1	1968259847	LMFQRRSOLVPAFC-SCAQPMJSSA-N	243.394	4.766	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	1968307556	LUADOUGRXJUVCT-FOLVSLTJSA-N	246.394	4.755	0	10	BJAE	
CC[C@@H](NCC1(C)CCCCC1)c1occc1C	1971295428	IDQBLBZJGLSPBZ-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1C[C@@H](C)CC(C)(C)C1	1973172904	UAQYMSHJCYUSJG-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC1CC1)NC[C@H]1CCCCC12CCC2	1973673695	QXTRSMNRWIYARN-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C(=O)C[C@@H]1CCC=CCCC1	1978272506	KFZFRMIYAHHTMF-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
C[C@H](CC[C@@H](N)c1cccs1)CC(C)(C)C	1980687894	RBRIPVOAWVXYCE-VXGBXAGGSA-N	239.428	4.600	0	10	BJAE	
C[C@H](CC(=O)c1cscc1F)CC(C)(C)C	1982846673	NOIZOYUMIOUSLE-SECBINFHSA-N	242.359	4.532	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H](C)CC)CC1	1989780349	RQFZJYNZMSFYHU-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C1CCC(C)(C)CC1	1996561668	OMUUDDVRUXKXCT-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@@H](C)C(C)(C)C)CC1	1996588627	HQILRAAJZIYQRG-YWIABWOTSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CCC2CCC2)CC1	1997104903	KZKXJVGRRUKEAG-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CN[C@]1(C)CCCC1(C)C)CC(C)(C)C	1997356733	NXMXOCVBQITWJF-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1ccccc1C(C)(C)C	1998752212	LXDVMIMJUVJYQC-OCCSQVGLSA-N	231.383	4.585	0	10	BJAE	
CCCC[C@@H](C[C@@H]1CCCC(C)(C)C1)NCC	2000175887	ICUVLWZDFHSUCI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)[C@H]1CC1(C)C	2000518431	OEGXEYCISCCPCT-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CN(C)[C@H]1C[C@@H](C)CC(C)(C)C1	2000899029	VCSXZRPQNCWWSM-HIFRSBDPSA-N	239.447	4.569	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@H]1CCCC(C)(C)C1	2002993156	IUDMCGBAYZHSRT-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](N)[C@@H](C)CC)CC1	2003067131	NMABHHFCRHAVRV-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
C1=C[C@H](NC2CCCCCCCC2)CCCC1	2003098601	GYBBTANTSPBCRF-INIZCTEOSA-N	235.415	4.578	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCC[C@H]2CC[C@H]21	2004797015	HMSXQIJLYRSISB-OUCADQQQSA-N	249.785	4.639	0	10	BJAE	
C[C@@H](C[C@](C)(O)C1(C)CCC1)C1CCCCC1	2004839690	JZSALDOPQKHOOL-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC1CC(CC(=O)[C@H]2CCCC[C@H]2CC)C1	2007770204	ZVYHODTXFUYSGX-CVSAEHQPSA-N	236.399	4.598	0	10	BJAE	
C/C=C/C[C@@]1(CNC(C)C)CCCC(C)(C)C1	2008071182	CFNJAFOXPALDMG-FYCOFBDGSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@@H]1CCC[C@H]2C[C@H]12	2008276577	VIQNCKHJAAOKPP-OFQRWUPVSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CC(CC)(CC)C1	2009305703	WBKQJVVOEMTAMP-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCCC(F)(F)CC1	2009568589	FPNQPMYAWLDGRI-QAVQXKDTSA-N	244.325	4.518	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](C)C[C@@H](NCCC)C1	2009618464	BWDLEJMKSXXDHL-PSVUTLLTSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)c1ccsc1	2010724956	FKAJXDMEKMBMEB-SWLSCSKDSA-N	249.423	4.535	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011999205	YDENXFHSXXYERG-FICVDOATSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)CC[C@H]1CC(=O)CC2(CCC2)C1	2012081576	OFDBTMPBPYZPRG-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC(O)(CCC)C1CC2(C1)CC(C)(C)C2	2012114709	BYDICDOMYIFEFJ-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](O)c1ccc2sccc2c1	2015278390	NQZIUAQYFXQIAR-SMDDNHRTSA-N	248.391	4.617	0	10	BJAE	
CC(C)C(CC[C@H](O)CCC1CCC1)C(C)C	2015337280	XSMVOYCSZYJDON-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC(=O)[C@@]1(C)CC=CCC1)C(C)C	2015374622	IBMCAVMAZUOKQL-INIZCTEOSA-N	236.399	4.620	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC(C(C)C)C(C)C)C1	2015375573	CCEBCPZSCWZQNV-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(CCC(=O)[C@H]1C=CCCC1)C(C)C	2015389785	ARZWGHYATVRZQU-AWEZNQCLSA-N	236.399	4.620	0	10	BJAE	
CC(C)NCC1(C[C@@H](C)C(C)C)CCCCC1	2015394126	LGGBINZLNCYNCX-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCCCN1CC1(CCC)CCC1	2015584753	QRRBTMJXJOLSOO-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCC1CCC(C[C@@]2(O)CC[C@H](CC)C2)CC1	2017649473	WIBVBKZQSGFJAZ-BHDPWAOGSA-N	238.415	4.534	0	10	BJAE	
CCC/C=C/CNCC1CCC(CCC)CC1	2017658514	NNAGQWZDOQXQQJ-VOTSOKGWSA-N	237.431	4.539	0	10	BJAE	
CCC1CCC(C[C@H]2CCCC[C@]2(C)O)CC1	2017712603	PZOZKXVEMSTVCW-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CCC2(CO)CCC2)CC1	2017715775	KBTNYOQHMMFVHL-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCC1CCC(N[C@@]2(C)CCC(C)(C)C2)CC1	2017911309	CZQKJQUFHQMVQH-XUJLQICISA-N	237.431	4.514	0	10	BJAE	
CCCCC1CC(N(C)CCCC(C)(C)C)C1	2019332623	QJAOWKZLPRYLJB-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCSc1ccccc1N[C@@H]1CCC2(CC2)C1	2021788054	NOMYWGHXUOQHEX-GFCCVEGCSA-N	247.407	4.543	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1C[C@@H]1C1CCCCC1	2022434252	KRXHOCUAQKNGRU-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC(C[C@H](N)C(C)(C)C)CC(C)(C)C1	2024093766	DTNLCDCPDQTYKI-ZDUSSCGKSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](NCCC[C@H]1CC1(C)C)c1ccccc1	2027833614	VPKOXZPRSXDROC-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1nccn1C1CCC(C(C)(C)C)CC1	2028116448	ZCCXDKSAAXEWCC-UHFFFAOYSA-N	248.414	4.784	0	10	BJAE	
CC1([C@@H](N)c2ccc(C3CC3)cc2)CCCCC1	2028611953	ZFFHNRXUDLMVIW-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)C1(C)CC(C)C1	2029104188	HWDWTPZNBKRZPC-PWZRNIHTSA-N	245.410	4.507	0	10	BJAE	
C[C@H](CC1CCC2(CC1)C[C@@H]2N)C1CCCCC1	2030092192	XNDPKZHMHZKXPM-CGBMDKKTSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@H]1CCC(C)(C)C1	2033387944	PIPVQLXIEJMECI-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]1CN[C@H]1CCCC2(CCCC2)C1	2034364194	RCBCXLVXJGFACP-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
NC1([C@@H]2C[C@H]3CC[C@H]2C3)CCCCCCCCC1	2035885228	FFVHUICTHVKZLW-HRCADAONSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)c1cccc(C2CC2)c1	2036353062	WPXKINATBDZFKW-GXTWGEPZSA-N	242.362	4.573	0	10	BJAE	
Cc1cc(C)c([C@](C)(O)[C@@H](C)CC(C)C)cc1C	2036374834	LFAOALAYDDJBFU-DOTOQJQBSA-N	248.410	4.502	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@H]2CC=CCC2)CC1	2037167566	XUZBQPSRXAQKGP-GVDBMIGSSA-N	249.442	4.667	0	10	BJAE	
CCCc1ccc([C@@H]2CCC(C)(C)C(=O)C2)cc1	2037859590	ZNEDWBQSEPIVHV-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CC12CCC(CC1)C2	2039353212	CWFSVRUKMMDUNV-IZTSSTLKSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CCCC(C)(C)CC2)c(C)o1	2039355769	CWOLKMPQIJXSFN-ZDUSSCGKSA-N	248.366	4.686	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C=C(CNC(C)C)C(C)C	2039434162	HNWBKNWMPOUVEV-RDJZCZTQSA-N	249.442	4.559	0	10	BJAE	
CCCCC[C@@H](N[C@@H]1[C@@H](C)[C@H]1C)c1ccccc1	2043294602	FXVSXSRTMWDKPK-WTTBNOFXSA-N	245.410	4.552	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1CCC2(CCC2)C1	2043617165	YRZJPBNSJNXUON-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CCC(C)(C)CN1C[C@@H]1CCC=CCCC1	2045308337	TUPFKTPSAKFUJW-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CN[C@@H]1CCCC[C@H](C[C@@H]2CCC=CCCC2)C1	2045325219	CJDRAPPIDVLIQO-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C[C@@H]1CCC=CCCC1	2045328831	IPHJTQLALFKSQB-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(C[C@H]1CC12CCCCC2)[C@H]1CC1(C)C	2047059689	RVKBLHBKDJTWCS-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@@H]1CC[C@H]2C[C@@H]2C1	2047354568	RUGCSVUJQLMJAZ-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047437751	NZQPLFJBTDBMJN-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CNC[C@@H]2CCC23CCC3)CCC1	2047957072	WGOFPKXJUBCHGH-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048366387	PYGWBNVVMMMZJA-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2[C@H]3CCCCC[C@H]32)C(=O)C1	2048471837	PWKSHZGWMAFPMA-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(NCC[C@@H]2CC[C@H]3C[C@H]23)CCC1	2049668761	CZYSRHVTRAQVOW-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1CCC2(CC1)CC2)C1CCCCC1	2049857465	PTXAJYPEXSLARM-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@H](N)[C@]2(C)C=CCCC2)C1	2050009544	YWHRNFVUFWLDNH-DRRXZNNHSA-N	249.442	4.523	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@H]1CCC[C@@H](C)C1	2050450976	RVNNFRSUIVVURG-UKRRQHHQSA-N	244.378	4.784	0	10	BJAE	
Cc1ccc(C(=O)CCCCCCC2CC2)cc1	2050461531	WNUOPBCIGJQRQP-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(CN)CCCCC12CCC2	2053409439	FAWPDNKWFVZTEP-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](N)[C@@H]1CCCCC12CCC2	2053409738	HEHXSPXEDJIONB-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@@]1(CNC(C)(C)C)C=CCCC1	2055279366	GIFJRCLSWIJDOU-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccc(CCF)cc2)CC1	2055668078	AWMNMEAOPCTEQR-UKRRQHHQSA-N	249.373	4.579	0	10	BJAE	
CCC1CC(CC(=O)c2ccc(C(C)C)cc2)C1	2056666198	NZCXOLOBOJPASD-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C=C2CCCCC2)CC1	2056869929	GIKVVQDAZIAVKE-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C(=O)C1CC(C2CC2)C1)C1CCCCC1	2057829629	QWGXJOFSJBWERS-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@]1(CCC2(C)CC2)CCCC12CC2	2059177024	GHTREMNMSMZFIT-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CC[C@H]2C[C@H]2CC1	2059251889	COQHTACPZXHUAS-ZTNBSJNOSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCCC[C@@H](NCCC)c1ccccc1	2059253926	VLTZYVOEDFGSEC-NJELEJDNSA-N	245.410	4.864	0	10	BJAE	
C=C=CCCNC1CCCCCCCCCCC1	2059469992	NIDBBAAYNFIWME-UHFFFAOYSA-N	249.442	4.981	0	10	BJAE	
CCCC1([C@@H](N)C2=CC[C@H](C(C)C)CC2)CCC1	2061147680	POIMHFPEMGUMCL-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
O[C@H](C1=CCCCCCC1)C1CC(=C2CCC2)C1	2061640133	LWZPGJMZEIMHLS-QGZVFWFLSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC2(CC(C[C@@H](N)CC3CCCC3)C2)C1	2063202637	BJJGIJQVTXOYPC-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
C[C@](CN)(CC12CCC(CC1)C2)C1CCCCC1	2065335194	MKFDUAMEVXHGMA-ARWYELJZSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](NC[C@H]1CCCCC12CC2)C1(C)CCCC1	2067521734	UDQGJCIIJUJRGD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@@]1(CNC(C)(C)C)CCC1(C)C	2068230205	NIUGTTMIZNPONX-KRWDZBQOSA-N	249.442	4.703	0	10	BJAE	
CC(=CCC(C(C)C)C(C)C)c1ccc(N)cc1	2068958707	XXKWZSLJFDMLQD-UHFFFAOYSA-N	245.410	4.990	0	10	BJAE	
CCCC1([C@@H](N)CC2[C@@H]3CCCCC[C@@H]23)CCC1	2069278187	GCKZXSVKMCRHAS-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CC1(CNC[C@@]23CCC[C@@H]2C3)CCCCCCC1	2070802086	WTWLPGULEGQMCE-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)C[C@H]1C[C@H]1C	2071509258	AKMXKISBZDFDOR-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(N)CCC[C@H](C3CC3)C2)CC1	2072794613	WHGOZMAHZNFPJT-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
C[C@](F)(C[C@H]1CC[C@H](C)CC1)c1ccc(N)cc1	2072822875	YHDXJXLAYXRCDJ-XEZPLFJOSA-N	249.373	4.670	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@@H]2C2CC2)CC1	2072881364	IIVDAGMOVGYJQD-RRCSTGOVSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1NC[C@@]12CCCC[C@@H]1C2	2074048370	WOPPSSCFWDVXGP-WBVHZDCISA-N	243.394	4.631	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@]12CCCC[C@H]1C2	2074101575	ONSQSRQSSWICBN-QBYUYEEZSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@]2(CNC3CC3)CC[C@H](C)C2)CC1	2074627770	YEGFILQZPVZEDI-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CCC2(CCCCC2)C1	2074897316	VAYPDIYMBGUWAD-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCCc1ccccc1-c1ccc(O)c(CC)c1	2076812585	ZBQCXLYCQITTCX-UHFFFAOYSA-N	240.346	4.574	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@H]2C2CCC2)CCCC1	2079424864	QINLVPAELYFSHV-DLBZAZTESA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1N[C@@H]1CCCCC12CCCC2	2079530344	NTPFDCLRTFTFLK-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1C[C@H]1c1ccccc1	2079557378	IWNXBEYEKXKTBM-YESZJQIVSA-N	246.394	4.512	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CC[C@H]2CCCC[C@H]2C1	2079862834	IGHIRTYZKCQKAR-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@@H]1C[C@H]1C1CCCC1	2079870704	NIIULXCYCBUKHX-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCCC(C)(C)C2)oc1C	2082988487	VLZCGPMGICICCX-CYBMUJFWSA-N	248.366	4.686	0	10	BJAE	
Cc1cc(C)c2[nH]c(C3CC4(CCC4)C3)cc2c1	2083316354	XGURQJINAGGSFJ-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
C(=C/c1ccccc1)\CC1CC(C2CC2)C1	2210668786	VSCVNHYPJATHNO-QPJJXVBHSA-N	212.336	4.526	0	10	BJAE	
NC[C@@H]1CCCC[C@H]1CCCCCCC1CC1	2213574168	QFGLEGUQUVIYRP-CVEARBPZSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H](C)C[C@H](CCCCCCC1CC1)NC	2213576356	OYGRSIKIFBSDRL-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CNCCCCCCC1CC1)C(C)C	2213579242	RIDSXPSSXZVYDT-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC(C)(C[C@@](C)(N)CC2CCCC2)C1	2215393102	KJVWRKFBUAJALF-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218309824	PFQDDHUPKPYRAN-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CCCC12CCC2	2218719491	ZIAXPHYSKKAHBS-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
Cc1c(C/C=C/c2ccccc2)ccc(F)c1F	2219078499	NXPREEGFCBUDQB-VMPITWQZSA-N	244.284	4.529	0	10	BJAE	
CN[C@@H](CCCCC1CC1)c1cc(C)ccc1C	2220046681	UPIIOHATGXSXKN-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C1CC2(C1)CC(C)(C)C2	2220962875	QYCKMJXHKHGTMR-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C[C@@H]1CC[C@@H](N)c1ccc(C(C)C)cc1	2220964139	VMIPEWLXEMCZDN-RRQGHBQHSA-N	245.410	4.636	0	10	BJAE	
CCN[C@@H](CC1CCC1)CC1(C)CC2(CCC2)C1	2221013770	NLILSBIKVYVUSW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(N)CC1(C)CC2(CCC2)C1	2221016136	LCYINROSFBWLFX-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(F)c(NCC2(C)CC3(CCC3)C2)c1	2221026111	SAYQJWNFYZSFLL-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CC1(C[C@]2(CN)CCCC2(C)C)CC2(CCC2)C1	2221037467	WDPHXOLDYBAKCV-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
CCNC[C@]1([C@@H]2CCC(C)(C)C2)CC=C(C)CC1	2221668213	OEAAIGUMBFWXKJ-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC(C)=CCC(=O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222955252	REMACEUJWKOMSX-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
CCCCC[C@@H](CN[C@@H](C)CC)c1ccccc1	2223563546	UZHHDLDMDZALTL-RDJZCZTQSA-N	247.426	4.739	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CCCC[C@H]2C)C=CCC1	2223594040	KGMVYUONADFQNS-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNC2CCC2)CC12CCCC2	2223605129	VCRMLHGBUHRLKO-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)CC(=O)CC[C@@H]1CCC[C@H](C)C1	2242770534	PZXLDIZNYGIKJC-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@H](N)CCCC[C@@H]1C[C@H]1C	2243066487	LYIIEIFVCIKWEL-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CCC(N)(CC)CC[C@@H](C)CCCC(C)C	2244836743	KXSFOWAVZOJVRQ-AWEZNQCLSA-N	227.436	4.747	0	10	BJAE	
C[C@H]1CCCC(=O)[C@@H]1CC[C@H]1CCC[C@@H](C)C1	2246693523	NSPLBPNRAQFHBT-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C(=O)CCCC[C@@H]2C[C@H]2C)CC1	2247173411	RZCZWZMZQCALJP-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CCCC1CC(C(=O)CCCC[C@H]2C[C@@H]2C)C1	2247174575	WORMWQGXHWAZAS-LQULJDIASA-N	236.399	4.598	0	10	BJAE	
Cc1csc(C(=O)C[C@H]2CCCC23CC3)c1C	2247652200	WQAVXNWNKPUWQD-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@]1(C)C=CCC1	2248856013	UUZKGKFIKISVIO-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1CCCCCC1=O	2248866935	SGWSOMXZKOCMER-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)C1CCCC1	2250469748	SBSMFVMWJGTDOB-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)[C@@H]1CC1(C)C	2250475906	MOYPETJTGYTGSP-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@H]1[C@H](CCC)C(C)(C)CCC1(C)C	2251698907	YIMJKGACWLIAKT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1ccc2ccsc2c1	2253068457	SXLVGFJOFGDRIR-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C[C@@H]1CCCCC12CC2	2253783326	MQFVCWLJOWRKKD-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC=C2CCN[C@H]2C(C)(C)C)C1	2254000269	CRCVSYALZYPUFW-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@@H]1CCC1(C)C)N2	2254858228	WHPKVMYDQRTXAQ-LSDHHAIUSA-N	243.394	4.548	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)CC2=CCCCC2)CC1	2255206473	YXZVPUWTLANTJC-WBVHZDCISA-N	249.442	4.778	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC[C@@H]2CCCC23CC3)C1	2255308059	GZWVIEJXDBKOMW-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CC[C@@H]1CCCC12CC2	2255326197	ASYSLTBQAJNIFY-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc([C@@H](N)CCC(C)=C(C)C)cc1	2256298095	ZOZFBSULBZDXDW-KRWDZBQOSA-N	245.410	4.775	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC(C)(C)c1ccccc1	2259467629	ZQXSQRFUKCBGPL-GOEBONIOSA-N	247.426	4.508	0	10	BJAE	
CC(=C[C@]12CCCC[C@@H]1CC2)c1cccc(N)c1	2260655989	FENUOKIJWHNXEI-NVXWUHKLSA-N	241.378	4.643	0	10	BJAE	
CC(=C[C@@]12CCCC[C@@H]1CC2)c1ccc(N)cc1	2260658599	QAHCHRJOSQQILN-WBVHZDCISA-N	241.378	4.643	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@H]1CCNc2ccc(F)cc21	2261346308	CBZSMYQODATUPQ-RYUDHWBXSA-N	247.357	4.551	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](C[C@H]2C=CCCC2)[C@@H]1N	2261442356	GKHJNVUUALIWNW-ZNMIVQPWSA-N	249.442	4.523	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)[C@@H](C)CC1CC1	2298852080	MBSOHOGLIJSFFW-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC(=CCN(C)[C@@H](C)C(C)C)CCCC(C)C	2300890022	WLURBHOAJNGDAL-INIZCTEOSA-N	239.447	4.735	0	10	BJAE	
CC(=CCc1ccncc1F)CCCC(C)C	2300931989	OOAWJWNIPQQCHM-UHFFFAOYSA-N	235.346	4.536	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CC1CCCCCC1	2301132220	WZIRQJKLFHTQBR-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC(C)c1ccc(F)cc1NCCCCCF	2301906200	WZZKSPMKHWDHMA-UHFFFAOYSA-N	241.325	4.501	0	10	BJAE	
N[C@H]1CCCCC[C@H]1CCCC1=CCCCC1	2302362418	YWIRCZMNOHHMBO-HOTGVXAUSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCCCCC[C@H]2N)C1	2302751823	XOEJMRPVBWYZSK-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C(=O)C[C@@H]1CC[C@H]1C(C)(C)C)C(C)C	2303475636	CMIKQDLDYVKKIL-MELADBBJSA-N	238.415	4.700	0	10	BJAE	
CC[C@](N)(C[C@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303514346	YUNHVSQOEOOXPG-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@@H](CCC(=O)c2cccs2)CC1	2303520211	CWKAEWSWXASKFC-CYBMUJFWSA-N	248.391	4.848	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC[C@@H]2C[C@H]2CC)CC1	2303571883	SDXBLHAIYJTCLA-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H]2CCCCC(=O)C2)CC1	2303603048	ZGKXFVSRMNEWFW-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2308399540	BPNNPFBXWCIGMY-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1	2309170697	AGPINBKLDMOWET-UGQVUOCMSA-N	248.410	4.598	0	10	BJAE	
CC=C(C)[C@@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309905627	GUKDNZDIIMPDTB-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H]2[C@H]3CCC[C@H]32)CC1	2311014739	GGGFXOZAKDCCGG-JHJNDJDLSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)C[C@@H]3CCCC[C@@H]32)CC1	2311022444	LQUNWBIJDQUPEX-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1C[C@@]12CCCC[C@@H]1C2	2311146322	PMEIVPPNXAKYQE-VVLHAWIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@H]1c2ccccc2NC[C@@H]1C	2311571544	JVXLFXKLGGGQDY-DARAHFNDSA-N	243.394	4.514	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@]23CCCC[C@@H]2C3)CC1	2312523936	VFKMLRHYPGTHKH-OIISXLGYSA-N	246.394	4.662	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312930491	FBPRRWUUUCIXBP-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](C[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312938950	DRZKUDQRCGSBCC-XFIYOXNOSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@H]1CCc2cccc(C)c2N1	2316267149	UILZLXHEODRNSO-INIZCTEOSA-N	245.410	4.938	0	10	BJAE	
CC=CC[C@H](NCCC)C12CCC(CC1)C2(C)C	2316503579	QJFCGINQRCUWIM-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](c1ccccc1)[C@H](O)CC1CCCCCC1	2316866511	XHNRXSKWPYTDFG-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
CN[C@H](C[C@H](C)[C@H](C)C(C)C)c1cccc(C)c1	2317994116	GATVWDJOYHRTBL-ZMSDIMECSA-N	247.426	4.574	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1NCCCC1=CCCCC1	2318529529	RCFBSUVJTQSJBJ-VYDXJSESSA-N	249.442	4.681	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)C[C@@H]2CCC[C@@H]2C1	2318534806	RUVIZZFGRSVLHN-BJWYYQGGSA-N	247.426	4.565	0	10	BJAE	
C1=C(CCCc2nccc3occc23)CCCC1	2318568553	LHYQEDPKLSRBPT-UHFFFAOYSA-N	241.334	4.651	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@H]1CC[C@@H]2C[C@@H]2C1	2318581475	XAXAHTJJGVUHOV-OWCLPIDISA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](CCC[C@H]1C[C@@H]1C)C1=CCCCCC1	2318934590	XTUBAVKPCWQZOI-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)CC2CC3(CCC3)C2)C1	2319119663	WQUHQBSRSVBYBK-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](O)C[C@H]2CCC(C)(C)C2)c1C	2319316052	ZASAQMMOIRGXGW-GDBMZVCRSA-N	246.394	4.553	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@@H]1CC[C@@H]1C(C)(C)C	2320100167	AFEKNKJNEOICPZ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2CC[C@@H]2C(C)(C)C)c1	2320256059	PMOLOTKPAVPNPJ-ZBFHGGJFSA-N	246.394	4.755	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC(C)=C(C)C1)[C@@H]1CC1(C)C	2320336238	FREOHUGQVNCXFP-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(N)CC(C)(C)C2(C)C)CC1	2320349391	YVEDTAWHQNICBU-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@](CNC(C)(C)C)([C@H]2C[C@@H]2C)CC1	2320387579	IEVBJFNQKFIQME-JLJPHGGASA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CC(C)(C)[C@H]2C)c1	2320567489	KMUAXHRQWREAGN-SWLSCSKDSA-N	244.378	4.675	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@H](C)CC2CCC2)c1	2320578972	XTJQEOZCNGETIO-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
C[C@H](CC[C@H]1CCC(C)(C)C1)c1cccc(N)c1	2321633754	LPUUJHJCZJQMOF-KGLIPLIRSA-N	245.410	4.979	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1cc(C)ccc1C(C)C	2327678798	ZGIIKBYLOLXLRL-YOEHRIQHSA-N	248.410	4.834	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)C2(C)CC(C)C2)c1	2327704138	RAAYOQOYKRNUDD-PWZRNIHTSA-N	246.394	4.588	0	10	BJAE	
CCCCC[C@@H](N)c1ccc([C@H](C)CC)cc1	20481359	JZXKHADRKCQPFB-CZUORRHYSA-N	233.399	4.780	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccc(F)cc2)cc1C	21509870	MMXCSWIGEKGMMQ-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCc1ccc([C@@H](CCC(C)C)NCC)cc1	35550369	JRQGYYJIWAWKQT-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1ccc2c(c1)CCC2	37360227	BVIPOAYOEXFANA-ZDUSSCGKSA-N	244.378	4.574	0	10	BJAE	
Cc1c(Cl)ccc2c(Cl)c(Cl)cnc12	41702514	CSXIGBLLVGWACZ-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CC(C)c1cccc2nc(-c3ccccc3)oc12	62532509	YSQOGJZFQNJQFV-UHFFFAOYSA-N	237.302	4.618	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](CC)c1cccs1	82631388	ACGJMKNWTOUDOV-WCQYABFASA-N	239.428	4.614	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccccc2Cl)[C@@H]1C	82857370	YHLDQSLDVDMCCC-NQBHXWOUSA-N	237.774	4.577	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C)CC2)c(F)c1	86880612	ZEHPKXQEVGCSIU-WCQYABFASA-N	235.346	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](NCC2(C)CCCC2)CC1	86909198	OQKNUWMJHRFIRW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@H](C)c1ccccc1	88764972	AECXTKRDZHTICU-GFCCVEGCSA-N	246.737	4.788	0	10	BJAE	
CCCc1ccc(NC[C@@H]2CCC[C@H](C)C2)cc1	89604991	PMGQOQWGTGDLCL-GOEBONIOSA-N	245.410	4.877	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1CCCC[C@@H]1C	103976635	USXIYSQLBKVCIH-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C(CC)CC)c1ccccc1	104444453	VPZHLSNHEIPYST-WMLDXEAASA-N	247.426	4.942	0	10	BJAE	
CCc1ccc([C@H](C[C@H](C)C(C)(C)C)NC)cc1	111647821	WTOUISAATILJFH-BBRMVZONSA-N	247.426	4.582	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](CC)c1ccccc1	111666013	VERARLRBZNSWCW-CZUORRHYSA-N	233.399	4.552	0	10	BJAE	
CCCCC[C@@H](NCC)c1sccc1CC	125412038	GAMSHXXWULAQPL-CYBMUJFWSA-N	239.428	4.541	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCC(C)(C)C)NC	126755763	LKYBFFHUCFVVGJ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H]1CC(C)(C)CC[C@@H]1CNC(C)(C)C	130063400	CJJZELIQPJKAEV-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCCCCCC1	159003659	LLFPQGGXRLORPU-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
O[C@H](c1cccc2ccsc12)C1CCCCC1	163164908	LTRKJUDUOZKIFZ-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H]1N[C@H](C)C1CCCCCC1	164127554	SKPBTPJBRJNGLI-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(O)C1CCCCCC1	167658515	JTFSKRULPDRXAW-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
Clc1ccc(Cc2cc3ccccc3o2)cc1	167746550	CPTZLEUOIGFXGS-UHFFFAOYSA-N	242.705	4.677	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC1CCCCC1)C(C)C	203300445	VDLWYXDCZAFBFG-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@H]2CCCC[C@@H]2C(C)C)ccc1F	214596851	KAQIKDFXEDARMR-ZBFHGGJFSA-N	249.373	4.761	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc(Cl)c(C)c1	229184122	AVSGOIWOXIMYTN-CQSZACIVSA-N	240.774	4.652	0	10	BJAE	
C[C@@H](C[C@@H](O)CCC(C)(C)C)CC(C)(C)C	229340701	ZHSKIKGPYYTYGP-STQMWFEESA-N	228.420	4.636	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)C1CCCCCC1	233287894	QFXVUXMNKWCXIW-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2C[C@H]3CC[C@H]2C3)cc1	250572394	LINRNMVYHFGVQL-BPUTZDHNSA-N	244.378	4.625	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C2CCCCCC2)C[C@H]1C	251861629	PXEQAFZYMHAMQP-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
Fc1ccccc1N[C@@H]1CC[C@H]2CCCC[C@H]2C1	252425846	QMOVQJSKHCYCHF-HZSPNIEDSA-N	247.357	4.597	0	10	BJAE	
CCSCc1cc2cc(Cl)ccc2s1	258088735	RDQKEJYCFLROQO-UHFFFAOYSA-N	242.796	4.808	0	10	BJAE	
Cc1csc(-c2ccc(SC(C)C)cc2)n1	259466516	ZGBLGCLFFVTCCO-UHFFFAOYSA-N	249.404	4.619	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@H](C)CC(C)(C)C)NCC	300461206	DSDLNNVLRWPSMO-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H](C)CCCC	300907558	JRFTUANZWHNQAD-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1ccccc1C1CCC1	302346452	MOUJOUROZTVXQY-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@H](C)CC(C)C	302593701	UUNZPKQRGZMXSR-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(SC)c2cc(Cl)sc12	306618542	SHUJUFQULAMYKV-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1NCC(C)(C)C1=CCCC1	308760629	XLFURLZAQXUJSC-ZIAGYGMSSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(C)ccc1Sc1ccccc1	309353590	RFWQOHJYNACDOL-UHFFFAOYSA-N	228.360	4.709	0	10	BJAE	
CC[C@@H](N[C@H]1C=CCCCCC1)c1cccs1	310066624	GHOMYZJWMJMHAH-UONOGXRCSA-N	249.423	4.678	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](O)C2CCCCCC2)C1	310115731	GYUKXNMPNDPNJR-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c(C(=O)C(C)(C)C(C)(C)C)c1	310472295	IXGVYCXVSROBHY-UHFFFAOYSA-N	232.367	4.558	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)c1occc1C	310666655	DHVZYUCTUDBXPY-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCNC[C@@]1(CCC(C)C)CC[C@H](CC)C1	319316743	PYHCBHDZLMKJQE-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC(CC)CC)C(C)(C)C(C)(C)C	383980455	KBTCBCWFHONWAT-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](NCCCC1CCCCC1)C1CC1	395180154	DUSVJZSHDOAFQP-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCOc1cc2c(CC)c(Cl)ccc2s1	396187047	HXINZPHJUIOCFP-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CSc1cc2c(F)c(C(F)F)ccc2s1	396238215	JQDTVSQZAFYMKO-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1cc2cc(C(F)F)cc(C)c2s1	396413171	XMOXCUWMSFHCRN-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC(C)CC1([C@H](O)CCC2CCC2)CCCC1	398599297	SXEJHZORVZUBFH-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(CC)c(C(=O)[C@H](C)C(C)(C)C)c1	399034343	NSALMZMPRKBYLI-LBPRGKRZSA-N	246.394	4.676	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)[C@@H](C)C(C)(C)C	399276485	SBRRHGYJLDOCME-CZUORRHYSA-N	247.426	4.753	0	10	BJAE	
CC(C)c1cccc([C@H](O)C(C)(C)C2CCC2)c1	688983340	NCRCGMPXSQUVHE-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCCCC[C@@H]2C)c1	691068979	COSGDOUHSGARQD-HOCLYGCPSA-N	231.383	4.684	0	10	BJAE	
CCC[C@H](C)Nc1ccc(CC)c(Cl)c1	691248494	MFYMKWIYJIKBSV-JTQLQIEISA-N	225.763	4.503	0	10	BJAE	
CC[C@](C)(NCCCC1CCCCC1)C1CC1	691508143	JHBQDCOXTVXERA-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cccc(C(C)(C)C)c1	691674434	MGWKNKWPVCFUMR-OLZOCXBDSA-N	246.394	4.849	0	10	BJAE	
C1=CCC(CNc2ccc(-c3ccccc3)cc2)C1	692043496	SACMWARMWJTOBS-UHFFFAOYSA-N	249.357	4.732	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCCC1(C)C	696663258	LGSPEOPVQJUVHI-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H](C)c1ccccc1	697208472	FNYSFRZDVAVTBN-ZDUSSCGKSA-N	232.367	4.576	0	10	BJAE	
CC(C)=CCCc1cccc(CC(C)C)c1	697985884	CRMLTTYFNKIWEH-UHFFFAOYSA-N	216.368	4.784	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)[C@@H]1CC12CC2	698139529	LDCVXRHSAJQMKM-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCCCC(CCCCC)N[C@H]1C=CCC1	698339647	BSFOJFAIDKFRLN-INIZCTEOSA-N	237.431	4.824	0	10	BJAE	
CCCc1ccccc1O[C@@H]1CCC[C@@H](C)C1	699483672	SXTKLUVFAKRGPF-UKRRQHHQSA-N	232.367	4.597	0	10	BJAE	
CN[C@H](CCCCCC(C)C)C1(C(C)C)CC1	700168743	UJRQPVCWNRSSKY-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H]1CC[C@H](C)C1)C(C)(CC)CC	701131821	BVVNIVAVRHMYDH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)CCCC12CCCCC2	704859724	GXMPIHCBVVOBCD-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC[C@H](C)C1)C(C)(C)C	704916422	WVISJJZBZYFPLK-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)c1ccc2sccc2c1	705250986	DDZDQGPADSCLTQ-OAHLLOKOSA-N	244.359	4.520	0	10	BJAE	
C1=CC[C@@H](CCNCCC2CCCCCC2)CC1	706745634	VGNCKYRECLYUFG-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCC1(NC[C@@H](C)CC(C)(C)C)CCCC1	709238648	BZCMFULCJFOFTK-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc([C@@H](N)C[C@@H](CC)C(C)(C)C)c1	711121596	PINRNUBBPZFTBR-CVEARBPZSA-N	247.426	4.711	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1scc(C)c1Cl	713125435	MOTXLDRLRFRXKU-SECBINFHSA-N	245.819	4.536	0	10	BJAE	
CCCCCC[C@H](NCCC)c1cc(C)co1	716208001	MJSSVWOQTKIFSC-AWEZNQCLSA-N	237.387	4.599	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1CCCC[C@@H]1C	718532059	IZAMWZZDUSXZFF-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@@](C)(CCC)CCCC(C)(F)F	718685223	KAUVAXAFOTWSHE-ZDUSSCGKSA-N	249.389	4.618	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CN)CCC=CCCC1	719036631	VLVSMAUGLFFUAR-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
Cc1cscc1N[C@H]1CCCCCC1(C)C	719191200	SKFWYBJLLMIDHB-ZDUSSCGKSA-N	237.412	4.827	0	10	BJAE	
CC(C)Oc1cc(CC2CC2)ccc1C(C)C	725400254	QIZAKZXATAPWNY-UHFFFAOYSA-N	232.367	4.550	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC1CCCCCCC1	1205890950	ZUEDEOZNMGYSPO-OAHLLOKOSA-N	237.431	4.824	0	10	BJAE	
CCC(CC)Sc1ccc(Cl)cc1	1472927390	GRMNDIAXRDENTE-UHFFFAOYSA-N	214.761	4.621	0	10	BJAE	
CC(C)CCC[C@](C)(O)C1CCCCCC1	1900579074	BGGPFPAXLQBEQM-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCC(CC)CC	1900699819	FMLNPVLOEHUQCV-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CCCC1([C@@H](O)CCC(CC)CC)CCC1	1900705372	UZWQOAKFHLTAII-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@](C)(N)C1CCCCC1	1900714551	WPPXERDBTVCDJW-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1C[C@H]1C1CCCC1	1910807679	LQPRMUSDCLGHBT-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
CCCCCCC1(CO)CC2(CCCCC2)C1	1912561184	BJDLSRTWOSWLHC-UHFFFAOYSA-N	238.415	4.680	0	10	BJAE	
CC1CCC(CC2(N)CC3(CCCCC3)C2)CC1	1912730540	XXBDVIUECMNHKN-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H](C)[C@@H]1CCCCCCCCC1=O	1913411189	MLKGRWHRIFFLRD-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]3C[C@H]3C2)cc(C2CCC2)c1	1917359324	SJGHPFLNHWXBOJ-HLLBOEOZSA-N	241.378	4.555	0	10	BJAE	
CCCCCC[C@@](C)(O)CCC[C@@H]1CC1(C)C	1919976617	WTQGTUPSFPPHAW-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)C[C@@](O)(CC(C)C)c1ccccc1	1920027421	WXIBRLDHRWLFEJ-KRWDZBQOSA-N	248.410	4.747	0	10	BJAE	
C[C@H](C[C@H](N)[C@H](C)C1CCCC1)CC(C)(C)C	1924085722	GWTYHUIEACYWQX-NFAWXSAZSA-N	239.447	4.602	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)C[C@H]1C=CCCCC1	1925773864	HIXPTIXHDSGASP-ZDUSSCGKSA-N	248.410	4.764	0	10	BJAE	
CNC[C@]1(C[C@H]2C=CCCCC2)CCCC1(C)C	1925781527	UILXZZVRPDKDKJ-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCO[C@@H]1C[C@@H](C[C@@H]2C=CCCCC2)C1(C)C	1925823048	COWVBBCMOKFMDO-RBSFLKMASA-N	236.399	4.574	0	10	BJAE	
Cc1cc(C)cc(CC[C@@H]2C=CCCCC2)c1	1925832008	DOGKKRQKWQFQPV-MRXNPFEDSA-N	228.379	4.982	0	10	BJAE	
CCC(CC)CCN[C@H](c1ccccc1)C(C)C	1926173926	HBVVRQSFBRRJDK-KRWDZBQOSA-N	247.426	4.800	0	10	BJAE	
CCCC[C@](N)(CC)CC1(C)CCCCC1	1935625992	SRLFATNQFAPUDV-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CC(C)c1csc([C@@H]2C[C@@H](C)C[C@@H](C)C2)n1	1937457527	KCMJBHHAVRTLCW-GDNZZTSVSA-N	237.412	4.806	0	10	BJAE	
CCCN[C@H](CCC[C@H]1CC1(C)C)C(C)(C)C	1940873171	PUHAVHPMKPIIJD-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC[C@H]1CC1(C)C	1940875750	JDBOSBDCQSSLQG-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CC1CCC=CCC1	1941794157	WCZZJORUMSCALB-CVEARBPZSA-N	237.431	4.523	0	10	BJAE	
CCCCCCNC[C@]12CCCC[C@@H]1CCC2	1944193527	DVPRCSROMFBTEP-HZPDHXFCSA-N	237.431	4.517	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C(C)(C)C1CCCCC1	1944619014	SJXVOYCQUWNMHO-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@](C)(O)CC1CCCCC1	1944854226	XBWKOEBRZLXNGG-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(O)CCCCCC1(C)C	1944854634	ZMHMPUZXJYTIJP-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)CC(C)(C)N[C@H]1CCC12CCCCC2	1946981754	LRAVUDXLHDPOLE-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@@H]1CC12CCCC2	1948143976	KYQADGUAQFHLFO-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)C[C@@H](C)CC(C)(C)C	1948324067	VNXMRYDRNPUKAJ-DZKIICNBSA-N	242.447	4.882	0	10	BJAE	
Cc1cc(NC[C@H]2CC=CCC2)c(C)cc1Cl	1948809454	MHCBHNQZEYGOME-ZDUSSCGKSA-N	249.785	4.725	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C1=CCCCCCC1	1948952144	UBZGESWSLZNGKE-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C2(C)CCCCCC2)C1	1949022750	NCJDEWWBIWUABV-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](N)(CCC(C)(C)C1CC1)C1CCC1	1949033525	HUYNIFJDUSMFDZ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@@H]1CC[C@H](C)C1	1949530057	LVRPLDRSAJPIJL-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CO)CCC[C@@H](C)CC1	1950910385	GCVFRRNQQITAKP-GDBMZVCRSA-N	238.415	4.702	0	10	BJAE	
CC(C)=CCCC(=O)C1CC2(C1)CC(C)(C)C2	1950935824	NLZCLQGXVSERPQ-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCC=CC[C@H](CCC)c1cccc(OC)c1	1951308685	LPMBXVOPJLXFOP-AWEZNQCLSA-N	232.367	4.935	0	10	BJAE	
CCCCC1CCC(CCC(C)(C)N)CC1	1951715166	KFWBPZKKHGKAGT-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@H](C(C)C)C1	1962882992	VKCCVBGKJTYZNV-HRCADAONSA-N	237.431	4.536	0	10	BJAE	
CC(C)CC1(CN(C)CCC2=CCCCC2)CC1	1966524817	BAENRNDXGSFHJW-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCCC12CCCC2	1967700109	UQKHPHLUYNHUNO-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCC[C@@H](N[C@@H]1CC[C@H]2C[C@H]2CC1)C1CCCC1	1967833471	BUDXGOCYCIKVQT-LTIDMASMSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CN[C@H]1CCCC2(CCCCC2)C1)C1CC1	1969013362	HWRVSZXPOHTNRH-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCCC(=O)CCCC(C(C)C)C(C)C	1988296966	BGCWGDMGSZDNKL-UHFFFAOYSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C(C)(CC)CC	1995262502	NWSQJUIFAZTKIH-KBPBESRZSA-N	227.436	4.747	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@@H]1CCCCC[C@@H]1C	1995757916	NYIWHOQVTLJUQZ-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
C[C@H](CN(C)[C@@H]1CCCC(C)(C)C1)C(C)(C)C	1995835670	OCCASUUFUWTQJP-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCCSc1ccccc1NC[C@@]1(C)C[C@@H]1C	1996565223	ZDQDGSSEJLVJIX-SWLSCSKDSA-N	249.423	4.647	0	10	BJAE	
CC[C@@H](C)C[C@@]1(O)CCCC2(CCCCC2)C1	1996645417	JKIHMRGJWPXMKN-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H]1CC[C@]1(O)CCC1CCCCC1	1998739437	AYFQLSLAEUMWCZ-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](C)(CNC)C[C@H]1CCC=CCCC1	2000521518	VVCKCPSXYSGPSX-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@H]1CC12CCCC2	2001259453	NTTVLPNEQODMQI-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCC(=O)C[C@@]1(C)CCCC1(F)F	2002580532	SLTMOPMJTDJQFA-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@H]1CC[C@H](C)CC1	2003067189	OJCFFPPDLMJTTE-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
O[C@H]1CCCCCCC[C@@H]1CCC1CCCC1	2003119275	UVMVGMFZFGTGJI-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](CCC2=CCCCC2)C1	2006662924	FPLZXKRWVSCPGR-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](C)CCNCC1(C)CCC(C)(C)CC1	2007682367	YVPATQRKQANBSY-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC1CC(CC)C1)CC(C)C	2007738332	MTPGTXXHMPGLLO-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C1=CC[C@@H](C)CC1	2010621910	CQWJHTFYVTVFLL-SQWLQELKSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](N[C@H]1CCCCCC12CC2)c1ccsc1	2011273177	ZEDSMAASDZRNET-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC1CC(C)(CC)C1	2013267442	QJBIQFMUNQDMEK-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CCCC(C)=C1C	2013270096	FNUVLQUNEIVOOA-CVEARBPZSA-N	237.431	4.680	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)C1(C)CCCC1	2014337805	FKNJDROXXLFIGN-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C[C@@H](C)C(C)C)CC1	2015285201	UOEWITIFBZETBD-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C[C@H](N)C(C(C)C)C(C)C)C(C)C	2015292288	YCFOUQIBQVEXBJ-HNNXBMFYSA-N	241.463	4.560	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)CCC(C(C)C)C(C)C	2015337045	VKDJXQOMJBHUID-HOCLYGCPSA-N	242.447	4.738	0	10	BJAE	
CCC(CC)(CCC(C(C)C)C(C)C)CNC	2015344852	MMDAEYDTQLNGCH-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CCCC1(C[C@@]2(O)CCC[C@H](CC)C2)CCC1	2015640311	QSHFPOYDMMRHLS-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC1([C@@H](O)CC2(C)CCCCC2)CC1	2015761190	UKVXZZSLOHSUBX-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CC[C@H]1C1CCC1	2017044797	UGNSBIVVVXKXIR-UONOGXRCSA-N	249.785	4.639	0	10	BJAE	
CCCCC(C)(C)NCC1(C(C)(C)C)CCC1	2017140936	ARYKCULYOXKTBF-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(O)CCC(C)(C)C2)CC1	2017653946	ZLGLUTOFACKOTB-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H]1CCCC[C@@H]1CC	2018132309	SJXHWXOSQKXJNU-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@]12CCCC[C@@H]1C2	2018631909	RMJMJBYMPIZKMC-CZUORRHYSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@H](CC)N(C)[C@@H]1C=CCCCC1	2019537743	VHKZAONOVPRLFQ-HZPDHXFCSA-N	237.431	4.776	0	10	BJAE	
CCN(C[C@@H](C)CC(C)C)C1CCCCCC1	2020501470	LTCZFYKXTQHIBK-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)[C@H](C=C1CCC1)NCCC	2022686352	GLOWSKHZWFKMOP-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
Cc1cnc(-c2ccc(C(C)C)cc2)cc1Cl	2023460493	WPYKGWFYGMHNQF-UHFFFAOYSA-N	245.753	4.834	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@H]1C[C@@H]1C(C)C	2026170689	ROJRDZFJMCBDHA-XUWVNRHRSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@](C)(O)Cc1ccccc1C(C)C	2027463191	NCISJVAVDLSBJS-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
CCc1ccc(C(=O)CCC2(C)CC2)cc1CC	2027732058	KGIRFGQOTJKRPW-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)CCC2(C)CC2)cc1	2027732090	KMSQEJBCTMVNNF-CJNGLKHVSA-N	245.410	4.780	0	10	BJAE	
CCC[C@](O)(CCCC1CCC1)c1ccccc1	2028495495	NWEUEKDGHKSCFQ-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)c1ccc(C2CC2)cc1	2028589491	ADELPAKRXYELBC-HNNXBMFYSA-N	245.410	4.636	0	10	BJAE	
CN[C@@H](c1ccccc1C1CC1)[C@@H](C)CC(C)C	2028602507	JMUHGLLVPVDGJZ-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
O=C(CC1CCC=CCC1)CC(C1CC1)C1CC1	2028873678	DQDIDIJEPNPPBO-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](CC2CCC=CCC2)NC)C1	2028897924	QGXBLEAWIUNVRZ-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1[C@H]2CCCC[C@H]12)C1CCCCCCC1	2032774489	GJKPUUFSZZZMLK-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2C[C@H]3CC[C@H](C2)C3)C1	2033102067	YGXFEBAYWKXRIA-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)C[C@H]1CCCC[C@@H]31	2034148073	QSXUAKZVCUNTMF-CHWSQXEVSA-N	239.362	4.615	0	10	BJAE	
CCCc1ccccc1C(=O)C1CC(C)(CC)C1	2036486781	ISQOHAQWFPPWOZ-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCC1(N[C@@H]2CCC3(CCCC3)C2)CCCCC1	2036771044	KNGPJUWNOSUTHL-OAHLLOKOSA-N	249.442	4.802	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C1=CCCCCCC1	2037076298	RPAQGKXKNUDDKV-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
CC1(CCC[C@]2(N)CCC3(CCCCC3)C2)CC1	2037176961	YELSXPRHLUYQNJ-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCN[C@@H]([C@@H]1CCC2(CCCC2)C1)C1(C)CC1	2037587699	BSGJBIKKULQHBD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(CC)c1N[C@H]1CCC(C)(C)C1	2037593846	MWJWMGOCVFKSOL-HNNXBMFYSA-N	245.410	4.802	0	10	BJAE	
CCC[C@](N)(C1CCC1)[C@@H]1CCC2(CCCC2)C1	2037595026	QOCFLSMTWFGLQK-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCC1CCCC1)[C@@H]1CC12CCCCC2	2039000068	PFOLQYFUTYMCNE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@]1(C)CC=CCC1	2042023656	DLCSDVXESVAWIG-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)c2ccccc2C2CC2)C1	2042278908	OKUBPEDGLXMAQG-CHWSQXEVSA-N	242.362	4.573	0	10	BJAE	
C[C@]1([C@H](O)C[C@H]2CCC=CCCC2)CC=CCC1	2045335787	WDIILOYFRSEKTF-BBWFWOEESA-N	248.410	4.620	0	10	BJAE	
C[C@@H]1C[C@H]1c1ccc(C(=O)CCCC(C)(C)C)o1	2045561664	HDELSGYTLKENFB-VXGBXAGGSA-N	248.366	4.802	0	10	BJAE	
C[C@@H]1CCN(C2CCCCCC2)c2ccccc21	2046581030	JDGSNFKTHDABAV-CQSZACIVSA-N	243.394	4.723	0	10	BJAE	
CCN[C@@H](CC1CCC1)C[C@@H]1CC12CCCCC2	2047015255	HPLIVYUSINCABB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@@H]1CC[C@H]2C[C@@H]2C1	2047347347	JNAYNQKTADZOSW-ARFHVFGLSA-N	244.378	4.686	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047405941	HMZVRFHRJFLMOK-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCCC12CCCCC2)C1CC1	2047559955	JOZBXWSANDBMGK-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2[C@H]3CCCC[C@H]32)CC1	2048442194	ULZDKFRPAPGOTK-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](C)NC[C@H]2CC=CCC2)CC1	2049418307	PMVAXJUGNMKRTD-SOEBMCCKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1CCC(CC)CC1)[C@]1(C)C=CCC1	2050008953	WHSFYHSOTNKZJC-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)C)c1ccccc1C	2050460050	DCPKJMVCRLQSRC-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CC[C@H](NCC1(C)CCCCCC1)c1ccco1	2052513936	YZIIJVGNJGJKQJ-AWEZNQCLSA-N	249.398	4.681	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@H]1CCCCC12CC2	2053415226	GSGJSXCKEOBOOB-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCCCC23CCCC3)CCC1	2055549668	NHAKPLBIHJQMSP-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CCC[C@@H]2C(C)C)c1C	2056447510	CHLOSMIDKODFMM-GDBMZVCRSA-N	244.378	4.558	0	10	BJAE	
N[C@H](CC1CCCCCC1)CC1CC(C2CC2)C1	2056650779	KASHLTRFMIFMNS-BDVYOWHSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2(C3CC3)CCCC2)C1	2057606140	KCKQAFHUSQPOEX-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@H]2C=CCCC2)[C@H]1CC	2058729725	ZPMZYLWAUFPNFY-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@]1(CNC2CC2)CCCC[C@@H]1C	2059251866	CJTDQMHRZHAIJW-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(Cl)c(C(F)(F)F)c1Cl	2060077074	WUFXDJKZDRMUIA-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
C=C=CCC[C@@H]1C[C@@H](C)CC[C@@H]1CNC(C)(C)C	2061561364	RCCJCUQIRSDART-ARFHVFGLSA-N	249.442	4.548	0	10	BJAE	
C1CCCC(CCNCC[C@@]23CCC[C@H]2C3)CC1	2061571418	KIWABNYIEPTJIJ-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC1CC(=C2CC2)C1)C(C)C	2061739473	NYIXEEDNTXZGQR-DYVFJYSZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC23CCC(CC2)C3)CC1	2065274667	KVIURKPNDDBFNC-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
O=C(CC[C@@H]1C[C@@H]2CC[C@@H]2C1)CC1CCCCC1	2068700755	AWVZYCUFKJPNLH-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)c1ccc2ccccc2c1	2068818761	RNMYJUMWLQTWKU-DYVFJYSZSA-N	241.378	4.522	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)C1(CC2CCC2)CC1	2069587101	MGESOLIKAIVOBR-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)C1CC2(CCCCC2)C1	2072430175	WOORMFBAZLDVKF-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(CN)CC3(CCC3)C2)CC1	2072804122	OYJQGUNLXSNNEX-SHTZXODSSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2C[C@H]3CC[C@H](C2)C3)CC1	2072869183	NRDXKHLIJZUCPI-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(CN(C)[C@@H]2C=CCCCCC2)CCC1	2074797186	NYSDPHLXFACJPI-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CCC3(CCCCC3)C2)C1	2074892670	OTZFRTLHKXFLSP-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
Cc1cccc(F)c1C(=O)CCC1=CCCCC1	2075967675	NMAKRZPLBPCEJH-UHFFFAOYSA-N	246.325	4.597	0	10	BJAE	
CCCc1ccc([C@@H](C)NCC(F)=C(C)C)cc1	2076362963	GTIDLDWGXYDESC-CYBMUJFWSA-N	249.373	4.553	0	10	BJAE	
C=CC=CCC[C@@H]1CCCC(C)(C)[C@@H]1NCCC	2076402147	RVRVLAISVBIEHF-HZPDHXFCSA-N	249.442	4.703	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@@H]2C2CC2)CC1	2079336201	HMMHNCGITSLYQI-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](O)c1ccccc1C(C)C	2079560175	BKUPRFVBRNDYQE-JKIFEVAISA-N	246.394	4.670	0	10	BJAE	
CC1CCC(N)(C[C@H]2C[C@H]2C2CCCCC2)CC1	2079669272	GBKCYEJQUGJOOA-YTWPKEEVSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@]1(N)CCCC2(CCC2)C1	2079883938	GLQPCJMWXDVFIH-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)CNCc1cccc(C)c1C	2082957710	NIQHKQOJXDXGJF-UHFFFAOYSA-N	247.426	4.609	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)CC23CCCCC3)C1	2082978673	ISIGWVKZABXXEL-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C(C)(C)CCC	2212119395	KJLNSXPTPOMCTR-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](N)CCC[C@H]1C[C@H]2CCC[C@@H](C1)C2	2213300913	YIGPFKWWYQVMAD-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
Cc1csc([C@H](N)C[C@H]2C=CCCCC2)c1C	2213634262	CICUQVHSQFTFTJ-UONOGXRCSA-N	249.423	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CCCCC2CC2)CC1	2214572511	DVHPQTDSKMYCEZ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC[C@@H]1C[C@H]1CC	2215345530	KJQXHSQACVMLQC-RRFJBIMHSA-N	238.415	4.988	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)c2c(C)csc2C)CC1	2215824684	WFGXLHHSTPEOSE-OAHLLOKOSA-N	248.391	4.684	0	10	BJAE	
CC(C)(C)[C@@H](CN)CCCCCCCC1CC1	2216880743	YRVJNTRPTTVLSY-OAHLLOKOSA-N	239.447	4.748	0	10	BJAE	
CCCCCC[C@@](C)(CN[C@@H](C)CC)C1CC1	2217144082	CRBTTYLMJSEJKO-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CN[C@@H](C)CC)C(C)C	2217149826	KLJXNVWFMPYOIA-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
C(=Cc1ccccc1)Cc1ccccc1C1CC1	2219075746	HKBHICMYAJCNRH-UHFFFAOYSA-N	234.342	4.820	0	10	BJAE	
N[C@@H](CCCCC1CC1)c1cccc(C2CC2)c1	2220025853	SNBDACMNXUKDKE-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC1(N)CCC(C2CCC2)CC1	2220880262	RKGXUYNFYQZNSE-CRYBEJKASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2CCNc3ccccc32)C1	2221038359	YBLLFXMFBLPJHV-ZDUSSCGKSA-N	243.394	4.802	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC=C(C)CC2)CC1	2221669215	VRDMWAGFGRBUSQ-JCYILVPMSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NC[C@H]2CC=CCC2)C1	2222265553	KEMFELWMYFSYQT-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)C[C@H]2CC[C@H]1C2	2223165805	YPYCNZZNXXRZON-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CNC2CCC2)CCCC12CC2	2223574067	UINGBAOTTNZWTK-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CCC[C@H]1C[C@H]1C)N2	2224123347	BVZTVJNSVQUDFF-YCPHGPKFSA-N	243.394	4.548	0	10	BJAE	
CCC[C@H](C)CC(=O)c1csc(C2CC2)c1	2243500282	HZGKUVQDZXIKJR-JTQLQIEISA-N	236.380	4.635	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)C2(C)CCCC2)C1	2246669995	UJSOOUCJAKGLRE-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NC[C@H](C)CC[C@@H]1CCC[C@@H](C)C1	2246680425	QZKAVHBLOIWVBH-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CN)CC1CC2(CCCC2)C1	2246767533	OMGRNKHHRFBZHC-HNNXBMFYSA-N	237.431	4.502	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCCC[C@@H]1C[C@@H]1C	2247157138	BQAAHRJYGQBOJB-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CCCC[C@H]1C[C@H]1C	2247162338	BFQNASWOWCZSOF-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC[C@@H]1CCCC12CC2	2247612407	UTPOPVVLKQEYNQ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C(N[C@H]1CCCC1(C)C)C(C)(C)C	2247726113	ZZBZPKTVGYUUDY-LBPRGKRZSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CCCCC[C@H]1C[C@H]1C	2248809252	RAKSLKZTVDOMHE-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccccc1C(C)C	2250362439	UVILZMXHNWPWJH-BBRMVZONSA-N	233.399	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@@]1(F)C[C@H]1C	2250482867	WVTVISVSAYRBTI-GZBFAFLISA-N	242.378	4.546	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@H]1C=CCCC1	2250490535	AROHEXMHTPEKIK-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc2c1N[C@@H](CC(C)(C)C(C)C)CC2	2253867923	MHGSBLFRSFCFHX-OAHLLOKOSA-N	245.410	4.794	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)C[C@@]23CCC[C@H]2C3)C1	2253930483	MWFJYWVSQDADPC-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(CC2CC3(CCCC3)C2)C1	2254058283	LYLTZPGKRKZXHU-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C[C@@H]2CCC23CCC3)C1	2255008994	NAQXAFRKMQRYKV-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CCNCC1(CC2=CCCCC2)CCC(C)CC1	2255145731	JIAXBGCFQOMOPT-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C[C@H]1CC(C(=O)C[C@@H]2CCCC23CC3)C[C@H](C)C1	2255327202	QCVIXACNHOSSHD-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)c1cccc2ccoc12	2259442267	HLHHPVLQNZIWBS-DOMZBBRYSA-N	245.366	4.520	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1CC2(CC(C)C2)C1	2259575643	IJMFFXWINQUKEU-PYCMUAIMSA-N	249.442	4.667	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1CC2(CC(C)C2)C1	2259588356	WLPLESWYYVUHCO-ZKDDFBJFSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@]12CCC[C@@H]1CC2	2260486517	CIUQSPHISZRZMX-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@]23CCCC[C@@H]2CC3)cc1F	2260631700	ZJALKIPJJUTXLK-CZUORRHYSA-N	247.357	4.516	0	10	BJAE	
CC(C)(C)CC1CC(CC2(N)CC3(CCC3)C2)C1	2261134535	BEQTTXWCVCJWPD-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1CNc1cc(C2CC2)ccc1Cl	2300671177	FGLGULIKGXTIQG-IWIIMEHWSA-N	249.785	4.531	0	10	BJAE	
CCC(CC)CC[C@]1(N)C[C@H](C)CC(C)(C)C1	2300698907	COVBKTHDUJAPJS-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)NCC=C(C)CCCC(C)C	2300865128	JQKMLPVPQZNFQJ-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
CCC(C)=CCc1cccc(OC2CCC2)c1	2300929197	MZKBVWBYRRFBMN-UHFFFAOYSA-N	230.351	4.517	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC1[C@@H](C)C[C@@H]1C	2300941584	FMRSFMWKQARTLJ-STQMWFEESA-N	231.383	4.575	0	10	BJAE	
CCCNCC(CC)(CC)[C@@H](C)[C@H](C)C(C)C	2301839174	HABVFHSRRABYIG-CABCVRRESA-N	241.463	4.721	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@@H]2CCC[C@@H]3C[C@H]32)n1	2302258400	MQPJKQXGLSWZQM-DDHJBXDOSA-N	247.407	4.560	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)C[C@@H]1CCC(C)(C)C1	2302675676	NODQTOQBKZLFCD-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2CCC(C)(C)C2)CCC1	2302742058	KENLRTVABQUNNP-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CN(CCCC(C)(C)C)C[C@@H]1CCC(C)(C)C1	2303246781	PFTVCYSTPQJQAY-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CC1=C(C)C[C@H](CC(O)(C(C)C)C(C)C)CC1	2303518877	CDKSQJJRRNIYPS-OAHLLOKOSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@](O)(CC)CC[C@H]1CCC(C)(C)C1	2304351899	MLEGUFUTKZWCLI-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CC[C@](O)(CC[C@H]2CCC(C)(C)C2)C1	2304399627	OKEQUFAQSFAHDC-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CCCC[C@@H]1CCC(C)(C)C1)NC	2304446665	ISXKZLLRSVXYAD-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCCCC[C@@H]1NC	2307903676	PHZPLHNMRACWDM-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC(C)(C)CC[C@@H]1CN	2307909696	LEIJJKXXWIZMDM-RRFJBIMHSA-N	239.447	4.604	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309168883	ZFQRNWWOUDYQRF-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1CCC[C@@H]2C[C@H]12	2309960682	AQUFUVMOPWKOKC-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H]1C[C@H]1C1CCCC1	2311518724	SUHJCMCDWHMIQD-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313170736	OOXAEMGXVNMIOO-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313188827	PFOPSNUWJJSSMK-OTJKEOIZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@@]12CCC[C@@H]1CC2)C1(CC)CCC1	2313323366	AHDXSSFBXXIRBS-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H](C)CC1CCC1	2313673275	PVMWLVCPMBDREF-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
CC(=CCN[C@@H](C)c1ccoc1)CCCC(C)C	2316497856	WGMGWAWMRMIEDF-HNNXBMFYSA-N	249.398	4.703	0	10	BJAE	
CC(=CC[C@H](N)C1[C@H]2CCC[C@H]12)CCCC(C)C	2316505143	XQQJXCYMWBMFBO-JYJNAYRXSA-N	249.442	4.523	0	10	BJAE	
CC(=CC=C1CNC12CCCC2)CCCC(C)C	2316556281	FFVFUNHCUWJULW-UHFFFAOYSA-N	247.426	4.601	0	10	BJAE	
CCCCCC(=O)CC(C)(C)Cc1ccccc1	2317286040	VXDQYKUCSIVCGZ-UHFFFAOYSA-N	246.394	4.795	0	10	BJAE	
CC(C)[C@@H](C)[C@@](C)(O)CCC=Cc1ccccc1	2317912997	YSLXVZMTXQZUQQ-WBVHZDCISA-N	246.394	4.523	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C[C@H]1CCC2(CC2)C1	2317967823	AYWKVAULMTZTNB-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
C[C@@]1(C(=O)CCCC2=CCCCC2)C=CCCC1	2318511528	PBOXBRNJIJKTPP-QGZVFWFLSA-N	246.394	4.973	0	10	BJAE	
CC1(C)CC[C@@H](C[C@]2(N)CCCC3(CCC3)C2)C1	2319312886	NWVVROIRORMSBQ-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC(C)(C)C[C@H]2C)CC1	2320338482	VYGVVNOIGPNCRN-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1	2321084665	JODAXAVTXJBGNN-LALPHHSUSA-N	249.373	4.625	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)C[C@@H]2CC2(C)C)c1	2327673006	KUWYGKLHZDPNCW-CZUORRHYSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](C=C1CCNC2(CCCCC2)C1)CC	2328082217	ABBILAUWGMVMIP-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H](C)CCCCCCCC(C)=O	14593791	NJTTWHKSGLGWQM-ZDUSSCGKSA-N	212.377	4.742	0	10	BJAE	biogenic
CCCCC[C@@H](C)N[C@@H](c1ccccc1)C(C)C	36967197	MSQDIXHURRATCR-NVXWUHKLSA-N	247.426	4.942	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)c1ccc(C)o1	36974698	NVYXHIKGDVJJAD-ZDUSSCGKSA-N	243.350	4.714	0	10	BJAE	
CCCN[C@H](CC(C)C)c1cc2ccccc2o1	62797970	CYLFQECXXHVPJG-CQSZACIVSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC)CNCCC	71127236	QIINCULHCFCLJI-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
Cc1cc(C(C)(C)C)cc(C)c1C(=O)C1CCC1	71559345	QUXYRKRQXOJXMI-UHFFFAOYSA-N	244.378	4.584	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)[C@@H]1CCCC[C@@H]1CC	84399906	LIKUGBCDHYUHSV-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@@H]2CCC[C@H](C)C2)CC1	86919411	VJMRCZKNWVEUOC-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCCN)c1cc(C(C)(C)C)ccc1C	107599576	RHKNRPWZNVIICI-CQSZACIVSA-N	247.426	4.525	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@H](C)C1)C1CCCCC1	109953209	IIGWWXHXTGGNDD-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CNc1cccc(F)c1C	110167305	WHVRUWXRPCHILD-ZDUSSCGKSA-N	237.362	4.762	0	10	BJAE	
Cc1cccc2cc(C(=O)C3(C)CCCC3)oc12	125860597	YHUZWXXNEVZHPT-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](N)C1CCCC1	127282916	NDIINNJWFMRDOU-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1cc2ccccc2o1	128095252	JYUCCGZKLBGNIC-WBMJQRKESA-N	245.366	4.649	0	10	BJAE	
Cc1ccc(C)c(Cn2ccc3cc(C)ccc32)c1	129544125	COKOYXDZKAHLRE-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC(CC)CC)NC	133384470	KOBMQDWOOYEPHO-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)c1cccc(C)c1	160147537	DPURSDYFENIAQX-ZBFHGGJFSA-N	233.399	4.614	0	10	BJAE	
CCc1ccc([C@@H](N)CC2CCCCCC2)cc1	161904123	KQCDZNMDTYZDKC-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C1=CCCCCC1	167312074	DKYPHCVUIYJZLR-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CCc1ccc([C@H](C[C@@H](C)CC)NC)cc1CC	167370275	JDIONISWGRIDCC-GUYCJALGSA-N	247.426	4.508	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@H](O)CCC(C)C	168261938	SHZRGAAMORFIFK-UAGQMJEPSA-N	248.410	4.613	0	10	BJAE	
COc1ccccc1-c1cccc2ccccc12	201370995	OICYOLATUQYUJE-UHFFFAOYSA-N	234.298	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](O)CCC(C)C	229186024	SHZRGAAMORFIFK-XIRDDKMYSA-N	248.410	4.613	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1Nc1ccc(Cl)cc1	235318191	YPVWERJLLBDGPC-ZWNOBZJWSA-N	237.774	4.577	0	10	BJAE	
Cc1ccccc1N[C@@H]1CC[C@H]2CCCC[C@H]2C1	252425856	QOHKANFHZFATRQ-OWCLPIDISA-N	243.394	4.766	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC(C)(C)C2)c1Cl	300953614	ZYTNNEIZDLVIAS-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc([C@](C)(N)CCC2CCCCC2)cc1	302239441	CMTNUMOJHGJBHI-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
C[C@@H](CCNCCCC(C)(C)C)c1ccccc1	302278093	IQFHMBWKKKVWPS-HNNXBMFYSA-N	247.426	4.596	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@@H](C)CCC(C)(C)C)c1	302509861	MYDKWEJGAPHLBM-LSDHHAIUSA-N	247.426	4.860	0	10	BJAE	
CCNC/C(=C\C1CCCCCCC1)C(C)C	305968442	YHLXYECQDWUQJS-FOWTUZBSSA-N	237.431	4.539	0	10	BJAE	
CCc1c(SC)ccc2scc(Cl)c12	306843090	CSEIXILUVFRJLP-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1ccc2c(Cl)c(Cl)sc2c1	307055620	UKGYQAQGZGPZAK-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CC1CCC(C[C@H](N)C[C@@H](C)C(C)(C)C)CC1	310530427	PVSKPQHNWQQQKL-HXSCFSKGSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC(CC(=O)c2ccc(F)cc2)CC1	310817433	BDFGLLWFDHHZQW-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)c(F)c1)C1CCCC1	313392363	FJAQYJSGJFXHBG-MRXNPFEDSA-N	249.373	4.905	0	10	BJAE	
C[C@@H]1CCC[C@]1(CNC(C)(C)C)[C@@H]1C=CCCC1	318124505	MKDXNRUEQMASTC-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(CCCC(C)C)CCC[C@@H]1C	319121881	IGFCFOATSCVKMF-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](N[C@@H](CC)C1CCC1)c1ccc(C)cc1	322460780	LGFOOBJVXOHBIP-IRXDYDNUSA-N	245.410	4.614	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CCC1CCCC1	383223897	GBMGNVZMDOVFLU-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](NCC)c1ccc2ccccc2c1C	384709642	LXMNJAFFPZDRTJ-QGZVFWFLSA-N	241.378	4.599	0	10	BJAE	
CCCC1(CN[C@@H]2CCCC23CCCC3)CCC1	391773769	HURNTLFDSXSQKI-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CCCC2)c1ccsc1	392818271	ZSSKVDCTDFCWPH-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
CC[C@@H]1C[C@@H]1C(=O)c1ccc(C(C)(C)CC)cc1	395588534	ABYZOLGNLNIVEU-DOMZBBRYSA-N	244.378	4.603	0	10	BJAE	
Cc1sc2cccc(C(F)(F)F)c2c1C	396192798	GBMYBDJGLGETJO-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CSc1c(F)c(C(F)F)cc2sccc12	396232814	CYECCRLKKQRARP-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
COc1cc2cc(Cl)c(C(F)F)cc2s1	396287374	CTTPNMVOIVHBMU-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1ccc(F)c2cc(C(F)(F)F)sc12	396295352	JBZLULUVFAKETR-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCCc1ccc([C@@H](NC)[C@@H](C)C(C)(C)C)cc1	399147240	DZEQWIRRQYAVEM-CJNGLKHVSA-N	247.426	4.582	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@H](C)C(C)(C)C	399181450	OWBAOSCDSNULNH-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)[C@H](C)C(C)(C)C)cc1	399218485	XSBFVJRDWVSHLW-XEZPLFJOSA-N	247.426	4.882	0	10	BJAE	
CC[C@H](CC1(c2ccccc2)CCCC1)C(C)=O	686745809	FTVPJCXOJYBCKI-OAHLLOKOSA-N	244.378	4.504	0	10	BJAE	
CN[C@H](CCCC1CCC1)CCC1CCCC1	688359686	SYMFVLIZGRNKOR-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H](C1CCC1)C1CC1	689779991	WSEOIMGSZAYLTE-CXAGYDPISA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCCCC[C@H]1CC	691107884	WCEZOMKOAJUREQ-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](C)(Nc1ccc2ccccc2c1)C1CC1	691557651	CMOYZUWEGHURNP-QGZVFWFLSA-N	239.362	4.830	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@H]1CCC[C@@H](CC)C1	692060663	OEXBBYYGEFHNPN-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CCCc1cccc([C@@H](CC(C)(C)CC)NC)c1	696156115	DDFNLJCWVOAKEN-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC(C)(C)CC1)c1ccco1	697579550	GCPDCHVNNUPAKX-ZIAGYGMSSA-N	249.398	4.679	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)c1cccc(C)c1	697774717	OARMOXASNITYJS-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@@H]1CCC=C(C)C	697775511	ZPUKKAMOUASUIL-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCc1ccccc1OCCC(C)(C)CC	699435438	QZUVVZGMOPKDHQ-UHFFFAOYSA-N	234.383	4.844	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](O)(CC2CCC2)CC1	703859902	UYBMURCITOIPPG-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C[C@@H]1CCc2ccccc2N1	704834099	IARWTHHERCEZSF-KBMXLJTQSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(N)C1CCCCC1	704857455	GCENLPQHOGRQQZ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCSc1cccc(N[C@H](C(C)C)C2CC2)c1	705310419	XQLIABVHVWBYKB-OAHLLOKOSA-N	249.423	4.645	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC1CCC(C)(C)CC1	710133296	YJWHOTOEGNJIAM-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)[C@@H]2CCCC3(CC3)C2)C1	710141606	RNJGBDFWHIXRAV-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)C[C@@H](C)C(C)(C)C	710700463	ARSKCAHOQPEGCH-BMFZPTHFSA-N	248.410	4.613	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@H](C)C(C)(C)C	710743989	IFHXXHIVOKDEKH-MELADBBJSA-N	228.420	4.636	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@@H](C)C[C@H](C)C(C)(C)C	711125994	IQRBTVRSHQZZTK-MJBXVCDLSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CC(C)(C)C)CC1	713177156	ZWVGADRRDSPMII-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@@H](CC(C)(C)C(C)C)C1	713186258	BBPRDJYNSMIIDN-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
C=C/C=C\CCNc1ccccc1C(C)(C)C	713640681	GDGCPNOFBQCRCU-SREVYHEPSA-N	229.367	4.528	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC(C)(C)C[C@H]1O	717540922	OZADWMNSCPCTIY-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)c1cc(C)co1	718465491	KDRLUIIFYJRYLA-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
CCCc1cccc(CCC(C)=C(C)C)c1O	718588978	PZLIPBWBHIPFBJ-UHFFFAOYSA-N	232.367	4.634	0	10	BJAE	
CC(F)(F)CCC[C@@H](O)C1(C)CCCCCC1	718703098	KVXYCWUEXVOULC-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)C[C@H](C)CC(C)(C)C1	718744106	YVLGRCUGIGTVNT-CJNGLKHVSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC(C)=C(C)C)C1	719151718	PGSBBSMDPUNSPF-CABCVRRESA-N	236.399	4.908	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC1CCCCC1	720359818	QKTFQSRFBFUJIY-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1CCCC12CC2	720995057	YURVMWNHXMKDKR-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCCC(CCC)C(=O)O[C@@H](C)c1ccccc1	1436593633	FIMABCMYWWCQLD-ZDUSSCGKSA-N	248.366	4.507	0	10	BJAE	
C1=CCC(CS[C@@H]2CCCc3ccccc32)C1	1643660384	IZSPUHMCXIJXIW-MRXNPFEDSA-N	244.403	4.763	0	10	BJAE	
Clc1cc(Cl)cc(CSCC2CC2)c1	1643958798	CYCUAVVXGLDONT-UHFFFAOYSA-N	247.190	4.637	0	10	BJAE	
CCC[C@H](N[C@H]1CC(C)(C)C[C@H]1C)C(C)(C)C	1658135255	DNUSBFSESDKZIP-RDBSUJKOSA-N	239.447	4.616	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CCCCC2)[C@H]1C[C@H]1C	1875419136	KZNNAPHJSXPFTI-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1CCC(C)(C)C1	1902378628	HWTYUHCOMVBABF-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C[C@H](C[C@@H]1C(=O)C[C@H]2CC[C@H]1C2)C1CCCCC1	1916094797	LTOZMBGFDQSBTF-VRKREXBASA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)c1cc(C)c(C)cc1C	1920206868	NNNBAMBICHOYRO-SJKOYZFVSA-N	247.426	4.612	0	10	BJAE	
CCCCCC[C@H](NCC)C1CC(CCC)C1	1921273004	PPWZOEWMNLRWEJ-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCC1CC([C@H](CCC2=CCCCC2)NC)C1	1921290388	SGTRCTXLFPGLED-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H]2CC3CCC2CC3)C1	1921304502	GGOQZRRIVZDAOX-DQGBIZLVSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H](C)C1CCCC1)CC(C)(C)C	1924085724	GWTYHUIEACYWQX-VNHYZAJKSA-N	239.447	4.602	0	10	BJAE	
Fc1ccc(C[C@H]2C=CCCCC2)c(Cl)c1	1925816532	HXVGEURUYSUGJP-NSHDSACASA-N	238.733	4.768	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@@H]1C=CCCCC1	1925916750	IHKKJEVXNIVHOP-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H]1CCC1(C)C	1926189603	QBAHSADATMCMLE-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccsc1Cl	1932478484	NWRZUXCSEBHWHW-UWVGGRQHSA-N	243.803	4.782	0	10	BJAE	
CC[C@](O)(CCCCCC1CC1)C(C)(C)C	1936419173	UGWWGXRSHQYFSU-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	1940591811	SVNUQACQDFLZLX-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1CCCCCC1	1940880236	HEDOFGXGNVMKGF-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)CCCC1(C)CC1	1940882562	QPUXADITCWZHLE-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CCCC1CCC1	1941470537	RPHXDHHTYYVERP-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)[C@@H](C)CC	1941587478	SVUCOIRLGPREAP-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)[C@H](C)CCC(C)C	1942654295	ZHPLJBFKSVOJRD-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)C(C)(C)C1CCCC1	1944639581	GVZRQKBRUFYKND-HIFRSBDPSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC(NC(C)(C)C2CCCC2)CC1	1945382451	OKKYEVPNXZTCKC-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@H]1C(C)C	1947516483	UIJIVODTJDBWDC-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H]1CC12CCCC2	1948075541	WDNSPXDDAVTCCB-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CCCC1CCC1	1949008070	SLCKRULBCCTMIR-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)[C@H]2CCCCC2(C)C)C1	1949495074	DBDPQLDJZTVIKA-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(F)(F)CCCCC(=O)CC1CCCCC1	1949922837	NRWDIYPOGXULTC-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@@H]1C[C@H]2C[C@H]2C1	1950078984	HJZQFDVQLWJPLC-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CC12CCCCC2	1950600075	UHUQKDXZNBXXFY-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCCC2CCC2)CC1	1950924140	JZQDBLUGIUUCBC-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
Clc1sccc1N[C@H]1CCCCC12CC2	1961997370	VAUFNEXKNRKWBG-JTQLQIEISA-N	241.787	4.536	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC3(CCC3)C2)cc1	1968313831	LBHDEEWJASNNQT-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CCc1ccccc1NCC1CCC(CC)CC1	1968359899	IMXIBAQHERZIKF-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
Cc1ccc([C@@H](C)NC(C(C)C)C(C)C)cc1C	1968604414	QNQMLINFLBYJBM-OAHLLOKOSA-N	247.426	4.635	0	10	BJAE	
CCCCC1CC(N[C@H]2CCC[C@H](CC)C2)C1	1970280435	IOCVNUNSJZWGQV-UIDBIOKJSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](NCC(C)(C)CCC)C1CCCC1	1973163934	LYUPFQQBQBXXCU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(c2csc(C3CC3)n2)CC1	1980225415	DOCPOSZJQHVIEB-UHFFFAOYSA-N	235.396	4.704	0	10	BJAE	
CCCC[C@H]1CCCCCC[C@H]1NCCC	1980342028	OJYBGHGEGILCBH-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CCCc1ccc([C@H](N)C(C)(CC)CC)s1	1985604620	BGYWQFYKVGCNLM-ZDUSSCGKSA-N	239.428	4.527	0	10	BJAE	
CC(C)[C@@H](C)Cn1ccc2cc(Cl)ccc21	1988295872	QVYXFSSMOURWHP-NSHDSACASA-N	235.758	4.587	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H](C)C1CCC1	1991161571	ZVUZNFVHLDGDKE-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC(C)=C(C)CCC(=O)CCCC(C)(F)F	1993575155	GWIHOIUXWCEZLI-UHFFFAOYSA-N	232.314	4.518	0	10	BJAE	
C[C@H](C[C@@](C)(N)C1(C)CCCCC1)C(C)(C)C	1995985358	IWYZPOXSCQMNRY-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC[C@](N)(C[C@H]1CC[C@@H](C)C1)C1CCCCC1	1996594350	LOAMGPMNZPUKLF-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C1CC(C[C@@H]2CCCCCC2=O)C1	1998238784	HFSOYQXVRZSNTN-MOKVOYLWSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)CC2CCCC2)C1	1998242572	ZNBFWJZIKTVTKL-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)CCNC[C@@H]1CCC=CCCC1	1999997528	YZTSHMBQGAIDPB-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCNC[C@@](C)(CCC)C[C@@H]1C=CCCC1	2000511545	CTXCYGMPTGUGHW-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCCN(CCC[C@H]1CC1(C)C)[C@@H](C)CC	2000907322	OGCSVMCYHTTZCE-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CN[C@@H](CC1(C)CCC1)C1(C)CCCCCC1	2001146554	KVKGIIZZNPDEGU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@](C)(N)C1CC(C(C)(C)C)C1	2002324915	ATSHYQASRQDKBR-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CCCC[C@]1(CNCCC)CCCC(C)(C)C1	2002992777	FQFTZFRHLUCQFL-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CN[C@H]1CCCCCCC[C@@H]1CCC(C)(C)C	2003115500	BLWWJCBVSCINHF-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@H](N)CC1CCC2(CC1)CC2	2003216320	BOBFFPREBKWXTQ-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCC(N)(CC2CC(C)C2)CC1	2004336152	BRXXYEOLKCWPAB-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@@H]2CC[C@H]21	2004792931	XZBMKWXOOFASOL-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H](N)C[C@@H](CC2(C)CCCCC2)C1	2006626128	CCUUNTWKUSAHMO-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@H](CCCC(C)C)CC[C@@H]1C	2006959759	WQTWQORLGZDNRV-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)C1(C)CCC(C)CC1	2007696593	MPAADTJGTCCTRI-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCC1(N)CCC(CC)(CC)CC1	2009574391	GQOCNCHDAJZYNQ-UHFFFAOYSA-N	237.431	4.811	0	10	BJAE	
C/C=C/CCCNC1CC(C)(C)CC(C)(C)C1	2009596526	RRUBVFMZSRZUMI-VOTSOKGWSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC=C([C@H](O)C(C)(C)C(C)(C)C)CC1	2010725211	HAJKEPKYACNIQL-ZDUSSCGKSA-N	238.415	4.556	0	10	BJAE	
Cc1cc(CC2CC(=C3CCC3)C2)ccc1F	2011089336	ZZRNYXQNTPKHKZ-UHFFFAOYSA-N	230.326	4.567	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCC1=CCCCC1	2011186902	NFGNGLXHBZENTG-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](N)CC12CCC(CC1)CC2	2012825383	SEIVTUCRWRYAJP-PCKAHOCUSA-N	237.431	4.501	0	10	BJAE	
CCC(CO)=C1CCC2(CCCCCC2)CC1	2013204225	GRAYZQNDARSCGC-UHFFFAOYSA-N	236.399	4.600	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC12CCCCC2	2013267287	PIFYHMUNQXUWCS-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(C[C@@H](C)C(C)C)CC1	2015283765	HLDVLKZEVJULFP-OWCLPIDISA-N	240.431	4.636	0	10	BJAE	
CCCC1(CSc2cccc(N)c2C)CCC1	2015642928	WBXZQNMYHHHCEH-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CC[C@@H](CNc1ccc(C(F)F)cc1)C(C)C	2016108309	CMUDSLBONAKEIM-NSHDSACASA-N	241.325	4.718	0	10	BJAE	
CCc1ccc(N[C@@H](C)C2CC=CC2)cc1Cl	2016328759	BHDFWDWJDMSBLK-NSHDSACASA-N	249.785	4.669	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@]2(C)C[C@H]2C)CC1	2016455852	JTLXSGVHBZPJCQ-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@@H]1CCCC(C)(C)C1	2017478823	WBPDUGNTUJOOQH-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](CC)Nc1cccc(F)c1F	2018128090	USBKYUFRKFMANK-NSHDSACASA-N	241.325	4.736	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@H](C)c1ccccc1	2019109547	DCXBVAAPAPUIJQ-ZBFHGGJFSA-N	233.399	4.648	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@@H]1CCC[C@@H](C)C1	2019174352	MNRSMKQMIMQSNJ-OAGGEKHMSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](C)CCC1CC1	2019184182	DGXSHVQCYVNVOF-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCCCC[C@](C)(O)CCC1=CCCCC1	2019767296	KFWXGRDTGZTIKG-INIZCTEOSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1CC=C([C@H]2CCCC(C)(C)C2=O)CC1	2020389867	ZVLQDHKYKDBICM-GXTWGEPZSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@@H](C)CNc1ccccc1C1CCC1	2021027078	ORQAADVVHYSROM-ZDUSSCGKSA-N	231.383	4.658	0	10	BJAE	
CCN(C[C@@H](C)CC(C)C)[C@@H]1CCCC1(C)C	2022048756	IUNRKJMBOMKOFJ-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)C[C@@H](CC)C(C)(C)C	2022487107	PRDVNNIPZVTAFC-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@H]1C[C@H]1C1CCCCC1	2022558936	AIVZWNNSQDNEMR-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](C[C@@H]1CCCC(C)(C)C1)CC(C)(C)C	2024094099	HOPDQKRFKNKXCW-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C12CCC(CC1)CC2	2027840339	PVBCKZRDBQVNAC-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C1(C2CC2)CC1	2028102069	WONABZJVIYZWHC-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCC1(C2CCCC2)CC1	2029735688	FTPAUTXHPKLANW-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@@H]2CC[C@H](F)C2)cc1	2032978312	RAIJEXPPWJCYHL-GLQYFDAESA-N	248.341	4.521	0	10	BJAE	
CCCC1(Nc2ccc3ccccc3c2)CCC1	2033055449	OFKILLPLHATIJE-UHFFFAOYSA-N	239.362	4.975	0	10	BJAE	
CC1(CNC2(C3CCCC3)CCC2)CCCCC1	2033055716	SMZDNUFOPQWLCW-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1c(C)cc(C)cc1C	2035428700	ZCOCMEFMTBXMJX-CVEARBPZSA-N	245.410	4.993	0	10	BJAE	
CCC(C)(CC)[C@](C)(N)c1c(C)cc(C)cc1C	2037217120	YMZUTINDCYPMFW-QGZVFWFLSA-N	247.426	4.612	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc(C3CCCCCC3)[nH]c21	2038008503	ZLXWYVKASJPUDB-TXEJJXNPSA-N	246.398	4.848	0	10	BJAE	
C[C@H](CCC(=O)CC1CCCC1)c1ccccc1	2038112855	RAZPRFXWXRPGOC-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
c1cc(C2CC2)ccc1NC[C@H]1CC12CCCC2	2039088724	NBPJCLFJBBOLSF-OAHLLOKOSA-N	241.378	4.556	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@@H]1CCC[C@@H](C)CC1	2039376047	QLUWMZZDKROFAD-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@](N)([C@@H]2C=CCCCCC2)CC1	2039387671	YBNRVEHZBGTPPK-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCC(CC)CCNC1CC2(C1)CC1(CCC1)C2	2039462393	RYRPSOLQVUCKJJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc([C@H](O)C2(CC)CCC2)cc1	2039727415	WBQONJXLSZLOFH-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
C[C@H](NCCC1=CCCC1)C1CCC(C)(C)CC1	2040639029	QNDJRRILBYNLMD-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C1CC1)[C@@H]1C=CCCC1	2043194732	OTAGBQIIPJYMPH-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1CCC=CCCC1)[C@H](C)C1CC1	2045329238	MKPOBWBTBHGYBR-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)CC2CCC=CCC2)C1	2049532815	MVLCRGWRHRLTMT-XIRDDKMYSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H]1[C@@H]2CCCCCCC[C@@H]2C12CCC2	2049671823	HKYDJDNRLKOHDY-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@@H]1CCCC2(CC2)C1	2049862352	FPYOHXXGWVKNTA-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(CC2CCC3(CC2)CC3)C1	2049863183	XRTQDFLSXUZMSD-XOIINTDNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCCC3(CC3)C2)C(=O)C1	2049949314	YCRGVYCEBKTPKL-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CC)c1ccccc1C	2050457130	YXLIOWMOEPFYFA-YOEHRIQHSA-N	247.426	4.862	0	10	BJAE	
CCC1(C)CCC(NC[C@@H]2CC23CCCC3)CC1	2051599220	NBRMSJNSFPGWEJ-FHERZECASA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H]2CCCC[C@@H]21)C1(C)CCC1	2052349733	SZBVHDFTTCPCJU-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@@]1(CC2CCCC2)CCCCC12CC2	2053357020	LTKRJZFHLFUHDG-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2CC(C3CC3)C2)C1	2056665653	GLXWNLMWQVPIQK-UPNFEZNFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1CC(C2CCC2)C1	2056677924	RYUHKZWJQVGTLX-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C1CCCCC1)C1(C2CC2)CCCC1	2057593051	BFTUOGJRSDHSSR-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(CC[C@@](C)(CC)CN)cc1	2058839648	HSZUARPUZOVSIS-RHSMWYFYSA-N	247.426	4.508	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2059248242	ZYQMXAUABGCOKO-DZZNIXLJSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@H]1CC[C@@H](C)C1	2060924471	FFRPGHQPDVCNEQ-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)C2(C(C)C)CCC2)CC1	2061151374	ROGRXONTIZYYQP-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC1(C(=O)CC[C@]23CCC[C@@H]2C3)CCCCCC1	2061602400	NJJWTEDLBJVVJC-PBHICJAKSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](CC1CC(=C2CC2)C1)C(C)(C)C(C)C	2061730266	GITWYENBUDSYEF-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCN[C@H]1CCCC2(CCCC2)C1	2062640728	FBXLWBDXUMHYNH-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
N[C@@H]1CCCCCC[C@@H]1CC1C[C@H]2CCC[C@@H]2C1	2063486838	LZDLZWGUTDEZBB-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CC12CCC(CC1)C2	2065276395	CWFSVRUKMMDUNV-LHJGCZIBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)CC12CCC(CC1)CC2	2065333187	PKHGVFNYPDHJMN-RDHHWEPZSA-N	249.442	4.502	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCC1	2068773508	WROZFWQGRNLTBC-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)C)C1CC(=C2CC2)C1	2068836639	LUWVHMJHVFOSJP-DYVFJYSZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2(CC3CC3)CCC2)C1	2069502784	ADIAGAWCUUENOQ-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C1(CC2CCC2)CC1	2069566220	IKAKJBVVBQFZML-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C[C@]12CCC[C@H]1C2	2070969776	CPVCBTDWMFNYSZ-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@]1(C[C@H]2CC[C@H](CC)CC2)C=CCC1	2072798516	KCNNKXLHRXSYNU-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@@]23CCCC[C@H]2C3)CC1	2074030286	SGWVAXDVMCQWII-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1OC[C@]12CCCC[C@@H]1C2	2074094726	NKWXDLWMDMBCAV-NVXWUHKLSA-N	244.378	4.598	0	10	BJAE	
CCC1(C[C@H](O)c2ccc(C(C)(C)C)cc2)CC1	2074616167	HANGBTBGBOWPHD-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCC1(C[C@@]2(CNC3CC3)CCC[C@@H](C)C2)CC1	2074624587	SPFJZJIMIWBZGY-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N2CC[C@]23CCC(C)(C)C3)CC1	2074866088	QOVNBIINWRWGGL-DQPZFDDXSA-N	249.442	4.610	0	10	BJAE	
OC1(CCC2=CCCCC2)C[C@@H]2CCCC[C@H]2C1	2075719916	DYJATYHURNSFRE-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1[C@H](CC2CC=CC2)CCCC1(C)C	2076408192	SICGQDNUIBSDEQ-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@@H](NCC)C(C1CCC1)C1CCC1	2077191090	ZCIWDLKEYMILDO-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)[C@H]1C[C@H]1C1CCCCC1	2079488241	UGOWFDDUKBUOCB-KBMXLJTQSA-N	246.394	4.518	0	10	BJAE	
O=C(C1CCCCC1)[C@H]1C[C@@H]1C1CCCCCC1	2079490684	DFQFYSSIKPQKDU-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@@H]1C1CCCCCC1)C1CCCC1	2079818058	HKWKPJGMFRPBKV-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccccc1NCC(F)=C1CCC1	2081669705	GWYHYUMBKHSYLX-UHFFFAOYSA-N	247.357	4.804	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C[C@H]3CCC[C@H]2C3)CC1	2086162070	JOBKPFGVLHFESB-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CCCCCCC1CC1	2213579540	GBQMNUNVIHCZHU-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@@H](C(=O)CCCCC1CC1)C(C)C	2214551073	CBLFQFMFVRHSJF-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CCC[C@](N)(CCCCC1CC1)[C@H]1CC1(C)C	2214565332	MCLREGGMZBOHBL-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](CCCC(C)(F)F)NCC	2216273421	XBFQENOVSUYUAQ-BPJJOFIESA-N	247.373	4.536	0	10	BJAE	
CCC1CC(CN[C@H](C)CC)(C[C@@H](C)CC)C1	2217127676	DXSGLSWEXQGMBD-QRNKSROTSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CCCC(C)C)C1CC1	2217135995	KCZACAGDJAODQT-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C1=C[C@H](Cc2ccc3occc3c2)CCCC1	2217488150	NDFZPVDGPWQUSY-ZDUSSCGKSA-N	226.319	4.722	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)c1ccccc1	2218727536	RANPHXPZOXWKOV-QGZVFWFLSA-N	245.410	4.827	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CC1(C)CC(C)(C)C1	2221026976	BEZQOZJSJAKXQX-CQSZACIVSA-N	245.410	4.520	0	10	BJAE	
C[C@H]1CCC[C@](CN)(CC2(C)CC3(CCC3)C2)C1	2221029090	WXALZQYOTCOCQU-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@]1(C)CC=C(C)CC1	2221640368	LJZNYAARNKKNRA-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CC[C@H](N[C@@H]1CC=C(C)CC1)c1ccc(C)cc1	2221667536	VFBFBMRSOPMROM-SJORKVTESA-N	243.394	4.535	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1CC=CCC1	2223118028	LTFUABMFNGRTPK-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CC[C@](N)(CC1(C)CC(C)C1)C1CCCCC1	2246520742	WENHGXJFCRASAQ-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(CC)CC[C@@H]1CCCCC12CC2	2246623768	PDPJGVGJZPAWOM-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)[C@H](N)CC[C@H]1CCCCC12CC2	2246630197	MHBSQENKIXTION-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@](C)(N)CC(C)(C)C)C1	2246663740	NFDJUNJXZJXUBN-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CNC(C)(C)C)[C@H](C)CC1=CCCCC1	2247495424	DSXBHKKQVZPEPP-KGLIPLIRSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC[C@H]1CCCC12CC2	2247618558	GCXRKVXLVLUHJT-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)[C@H]1CCC2(CCCC2)C1	2250378885	AXICJKNGCYZFAS-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CN[C@@H]1CCCC[C@H]1C(C)C	2250380933	JROVAGQUKHWJPL-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](C)C1(C)CCCCC1	2250385865	SUSDWRUOWLHLPD-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)C[C@H]1C[C@H]1C	2250466711	IFSRYULAWHCFNI-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)c1cccc(CNc2ccsc2)c1	2251690110	KKIFDLCEPJGDHH-UHFFFAOYSA-N	245.391	4.658	0	10	BJAE	
C[C@H](CC[C@@H]1CCCCC12CC2)[C@H]1CCCCN1	2253886794	OWFGNJFSDWYZCM-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](CN)(CC[C@@H]2CCC[C@H](C)C2)CC1	2253911092	ORXZOJSLUJWCLW-YESZJQIVSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2253930709	NSXJPNWBLDGTKM-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@]23CCC[C@H]2C3)C1	2253931002	OZHSGHJNXWCQJB-PNBKFKSVSA-N	248.410	4.742	0	10	BJAE	
CC1CC2(C1)CC(N[C@@H](C)CC1CCCCC1)C2	2254219679	OKICBEBGNWJTAQ-ZFBLFJJNSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1(N)CC2(CC(C)(C)C2)C1	2254586880	DSFMMZRMDYZORQ-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@]1(C)CC1(C)C	2255056033	YVWGGZRRUDMAFB-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C1=C(CNc2cccc(C3CCC3)c2)CCCC1	2255106874	XUHHNQJNRHPDHN-UHFFFAOYSA-N	241.378	4.866	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@]1(C)C=CCCC1	2255141743	QNELLGVYPWIFHQ-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@]23CCC[C@@H]2CC3)C1	2260581121	CTMSJFRKOYCMSP-JYYAWHABSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@](O)(C[C@@]23CCCC[C@@H]2CC3)CCC1	2260615586	JEANCYGBTQIDLD-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC(C(=O)C[C@]23CCCC[C@@H]2CC3)C1	2260626015	PYUFQJRYFZKBHI-OCUYMYNFSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC[C@@]12CCCC[C@@H]1CC2	2260635833	XYJANWLSJAJUDD-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
NC1(C[C@@]23CCCC[C@H]2CC3)CCCCCCC1	2260673232	QXVDWTHDADQTKA-HOTGVXAUSA-N	249.442	4.789	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@]12CCC[C@H]1CC2	2260675405	YBXXRHSAVVHUCG-UAGQMJEPSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cccc(CC2CC2)c1	2260908849	BUOALYPVDNZRMA-ZDUSSCGKSA-N	244.378	4.648	0	10	BJAE	
CCCC=CCNc1cc(C2CC2)ccc1Cl	2300693747	XHTLPFXNTRTWPR-UHFFFAOYSA-N	249.785	4.986	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCC[C@@H](C(C)C)C1	2300700700	NSKVVHDCXBSXFZ-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CCC(C)=CCC(=O)C1(CC(C)C)CCCC1	2300877047	MZPDUKVHQHESSQ-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2CCCCCC2)CC1	2301141904	DMHIIWFNXWFLGK-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](N)CCC[C@@H]1C[C@H]2CCC[C@H]1CC2	2301142018	FSMBTYYHEPPVNO-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H](O)C[C@H](CC2CCCCCC2)C1	2301237898	AVFJTYWGIRZCER-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H]1CCCCCCCC1=O	2301835277	FBKDGWAZBBQXRG-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
CCC1CCC(C(=O)[C@H](C)[C@@H](C)C(C)C)CC1	2301836575	NMGRXVZDPFCVOF-ZUJMUWTESA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(O)[C@H](C)C(C)C)CC1	2301919244	MUGIKRZAKHETBE-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@H]1CC(C)(C)[C@H]1C	2302156121	RLQCEGAXTCPIBE-AJNGGQMLSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](O)C(C)(C)C(C)C)CC1	2303525053	MBEQZSLGRFOZSY-HUUCEWRRSA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@@]1(CNCC)CCC(C)=C(C)C1	2303578644	FHCCXVCIQHJFOI-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CCC[C@H](C)CC1	2307817412	OYLMMJQBGGAKOP-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)CC1(N)CCC2(CCC2)CC1	2307829247	RXBHCQQFYUJCHM-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](CC)CN(C)c1cc(C)cc(C)c1	2307908306	PCKWJRNYHRHTGO-OAHLLOKOSA-N	233.399	4.566	0	10	BJAE	
CCC[C@H](CC)CN(C)CC1(CC(C)C)CC1	2307909534	KSUKYDRLETZZAQ-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H](CC)CCC	2307909738	LJWYPMBWJTULJM-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CNCC(C)C)C(C)C	2307924760	FFXOGZHIIVJYID-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CCN[C@@H](CC[C@@]12CCC[C@@H]1C2)C1CCCCC1	2310375123	PHMDXXOEEHMIMP-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	2310426939	OCTMUXSXWQYHEA-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C[C@@]23CCCC[C@@H]2CC3)C1	2313353846	WFOTYXKCMWEYAI-VVLHAWIVSA-N	249.442	4.645	0	10	BJAE	
CC(=CCC(=O)[C@@H]1CC[C@@H]2C[C@H]21)CCCC(C)C	2316539109	ZLGJCIQMMFGSIP-BZUAXINKSA-N	248.410	4.764	0	10	BJAE	
CCC(C)=CCC(=O)c1ccc(CC(C)C)cc1	2316573991	RGDOXPGBBSBHOC-UHFFFAOYSA-N	244.378	4.814	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@@H]1CCCC2(CC2)C1	2316873400	GMVSPUUMPBEGJT-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
O=C1CCCC[C@@H](C[C@H]2C[C@H]3C=C[C@H]2CCC3)C1	2317212049	QKHFDPWNKUMJSV-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](CCC1=CCCCC1)NC	2317905374	WMCJUJVBKPYLJW-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]1CN(C)CCCC1=CCCCC1	2318570048	UIDBISHYULAARV-WBVHZDCISA-N	249.442	4.635	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2318878873	PJAXDRHDCCUZHT-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@@H]2C[C@@H]21)C1(C)CCCCC1	2319340255	KBQZVGODZPXJEA-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCCC[C@H]3C[C@H]32)C1	2319459063	RVCSJMRQEOEOBG-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@](N)(CC1CC1)C1CC1)C1CCCCC1	2320629500	UCUAGPOVQJBHSA-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@@](C)(N)Cc1cccc(C(C)C)c1	2320659981	KSKUUYDYJCPXGW-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)[C@@]23CCCC[C@@H]2C3)C1	2321600989	VFTUJTPXLYKIMB-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)C2(C3CCC3)CC2)C1	2321633595	LEMLHDCRAHEDIS-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)C2(C)CC(C)C2)c1	2327708357	NFAYIHNPIWGUDB-PWZRNIHTSA-N	245.410	4.554	0	10	BJAE	
CCCCCc1ccc(NC[C@H](C)CC)cc1	19981456	WTPQFGAEOCECID-CQSZACIVSA-N	233.399	4.877	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@@H]1CCCC[C@@H]1C	19981892	CPMITLLIVYAICZ-GOEBONIOSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(F)cc1C	20520107	DCWHPLHKBYJLFV-CYBMUJFWSA-N	237.362	4.905	0	10	BJAE	
CCC[C@H](C)N[C@@H](C)c1ccc(CC(C)C)cc1	20565948	WUDUNLDCHKRKGO-GJZGRUSLSA-N	247.426	4.724	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cc(Cl)ccc1Cl	21514058	WXAWTQBEPBHZEW-DTWKUNHWSA-N	246.181	4.840	0	10	BJAE	
CCCN[C@@H](c1ccoc1)[C@H]1CCCC[C@@H]1CC	70414566	LXBMVHSCQCTBQG-BPUTZDHNSA-N	249.398	4.537	0	10	BJAE	
CCCCCCNc1nc2cc(C)ccc2s1	70468456	PQUAJLCBBNKQDE-UHFFFAOYSA-N	248.395	4.597	0	10	BJAE	
CCCC[C@H](CC)CCC[C@H](O)CCC	70774858	FYJYVGVLLYDFEK-UONOGXRCSA-N	214.393	4.534	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CCC(C)(C)C)C1	71083866	BPLCJPHWFNSGPN-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
Cc1nc2ccc(C(C)C)cc2c(Cl)c1C	71084738	HERGWOKMNICAKD-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
CC(C)c1ccc(NCCC(C)(C)C)cc1	71085631	LPRCBJUJYGVSJU-UHFFFAOYSA-N	219.372	4.658	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H]2CCCC[C@@H]2CC)C1	71112553	CPTRUWUTXYTNAQ-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCC[C@@H]1CC	71161088	JYYZPQZUBUYJMT-GOEBONIOSA-N	245.410	4.938	0	10	BJAE	
CCC1CCC([C@@]2(N)CCC[C@H](CC)C2)CC1	85078574	ZYELESITSMYKFW-BHDPWAOGSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1	85085200	BRBAIHANFUOWGL-DIOULYMOSA-N	231.383	4.540	0	10	BJAE	
Cc1cn(-c2ccccc2)c2cc(Cl)ccc12	90493835	DOQPQLKTKFXKSN-UHFFFAOYSA-N	241.721	4.592	0	10	BJAE	
CC[C@@H]1CCC[C@H](Sc2cccc(C)c2N)C1	91945067	LDPBFAFWYOORLM-OLZOCXBDSA-N	249.423	4.638	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)c1ccc(CC)cc1	103935288	OMVHFQWWVOCVSA-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)c1ccoc1C	132905052	DEKKZOFHJITXNM-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
NCC1(C[C@H]2C[C@@H]3CC[C@@H]2C3)CCCCCCC1	158902771	CYQBROILKSFJQV-BZUAXINKSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1cccc(CCC)c1	165734010	UHMOXYZGDBNCQT-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCC2CCCC2)C1	166320664	ZVVAABMUHVXDKM-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
N[C@H](C1CCCCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	167185385	PAQBDFZTWDZOHP-RKTXRCNFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1ccc(CC(C)C)cc1	167231226	DXODDAGRYAFEMQ-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CCCC(CCC)Nc1c(F)ccc(C)c1F	214904670	DVHAITXZYMCMBI-UHFFFAOYSA-N	241.325	4.654	0	10	BJAE	
CCCC[C@H](CC)CNC[C@@H]1CCC[C@@H](C)C1	227560919	IHBMFEZHZCVGRH-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)c1ccccc1C	229436887	WWTHECZRLPGXAU-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCC(CC)CC(=O)c1c(C)cc(C)cc1C	229448018	KXDAOOQVRVAACW-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
CC(C)[C@H](CNc1ccsc1)c1ccccc1	232743788	PCLWQUXTCWXLCI-HNNXBMFYSA-N	245.391	4.600	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2cc(C)ccc2F)C1	235400577	IJDXXUYEYNJXSK-GXTWGEPZSA-N	247.357	4.538	0	10	BJAE	
CCCCC[C@H]1CC=C(OC(C)C)CC1	238219116	NFLZZPPEUYLJAW-ZDUSSCGKSA-N	210.361	4.676	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@H]1C)c1ccc(C)cc1	251042294	CUWOMBAHGBXTBK-HYVNUMGLSA-N	245.410	4.614	0	10	BJAE	
CCCNC[C@@H](CCCC(C)(C)C)C(C)(C)C	302370267	YZEXZMBDBAZWPB-CQSZACIVSA-N	241.463	4.865	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)cc1	306118483	XRWRMUFDMCZFCB-APHBMKBZSA-N	243.394	4.585	0	10	BJAE	
CCc1cc2cc(SC)sc2cc1Cl	307300800	JBZZXGYRDXMEGI-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1CCCCC1	308112986	QFVPXXIQQSFVQF-OAHLLOKOSA-N	238.415	4.988	0	10	BJAE	
CC(C)C1CCC(O)(CCC2CCCC2)CC1	310060752	OSWSOKSJVSJVGK-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CCC1CCC(C)(C)CC1)NCC	310101868	BSGPDIWFPONWFC-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@](N)(C[C@H](C)C2CCCCC2)C1	310332946	MACPYWUVDXOYCE-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CCC(=O)C(C)(C)C)C1CCCCC1	310587845	WUQQOTPJUUHVLA-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCNC[C@]1(CCC(C)C)CCC[C@H](CC)C1	317358716	ZHUDLEBLIICHPO-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C(C)(C)C2CCC2)C1	322979245	OWACQSIEFLEWER-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)CCC2CCCC2)CC1	328443326	HOYACGUYEOXBPH-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCc1ccccc1[C@H](O)CCCCCC(C)C	383580337	VVWMNDMVNBQPJI-QGZVFWFLSA-N	248.410	4.889	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CCCCC1)c1ccoc1	386184495	JDCFTWJDZOWLIG-CZUORRHYSA-N	249.398	4.537	0	10	BJAE	
CCCCCC[C@@H](N)CC1CCC(C)CC1	390277622	UGKADLWQUOXSGC-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
c1cc(NCCC2CCCC2)c2sccc2c1	395316508	JCGKXMIUBGXPCY-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
CC[C@@H](NCC(C)(C)C1=CCCC1)[C@H]1CC1(C)C	397600763	ACHVNLAPFQQQOJ-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)CC(C)C)[C@H]1CC1(C)C	397625620	MQNYXYVZZAMYIN-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H](C)C1CCC1	398936687	UARQOSXOIIMWIK-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC1CCC(CC(=O)CC(C2CC2)C2CC2)CC1	400857386	ZQJKGCVBJZGDLF-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H]1C[C@H]2C=C[C@H]1CC2	402362046	XVMZLJDNYSJHFS-SMLCLMEVSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)CC1CCCC1	405761016	VUGBOVXKSWBZEZ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC1(C(=O)CCC(C)(C)C2CC2)CCCC1	405904987	UZKGZAQORTZHFH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
FC(F)c1cccc2c(C(F)(F)F)cccc12	514256426	XCUXFGBCNIRJCB-UHFFFAOYSA-N	246.178	4.796	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)C1(C)CCCC1	688935803	JTBOKWACASVBKR-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCCCC[C@@H]1CC	691096615	BQAYVEYWHPEROH-CWRNSKLLSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1cccc(C)c1	691132369	CCNJXFLNENNAGL-HOCLYGCPSA-N	231.383	4.766	0	10	BJAE	
CC(C)CCC[C@@H](O)c1cccc(C(C)(C)C)c1	691701543	STKCMRVZYPLMMN-MRXNPFEDSA-N	248.410	4.844	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@H]1CCCC[C@H]1C	691996926	AMYAGSDJTGYSGP-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)[C@H](C)NCc1c(C)cc(C)cc1C	695097215	FPSJZHXQGJLJMT-HNNXBMFYSA-N	247.426	4.526	0	10	BJAE	
C[C@@H]1C[C@@H](NC2CCC3(CC2)CC3)CC(C)(C)C1	695687192	AQUNLWVJDPPSOO-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@@H](O)C[C@@H](C)CC(C)(C)C	697561648	BTBFCPWYKGGVDI-ZIAGYGMSSA-N	226.404	4.556	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@H](N)C2=CCCCCC2)C1(C)C	699015217	VCAYUHCSLMPCMW-FRFSOERESA-N	249.442	4.667	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC1C(C)(C)CCC1(C)C	699591801	BDCRTJPQWMGUPD-STQMWFEESA-N	239.447	4.616	0	10	BJAE	
C(CNC1CCC2(CCCC2)CC1)CC1CCC1	701562087	DJNSADGTKFHVRB-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1C[C@H](C)CC(C)(C)C1	708251487	ALNBJQQUPRFBLI-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(C[C@@H](C)CC(C)(C)C)C1	709142655	JSWXVKITYPJHGU-FQLMCAECSA-N	239.447	4.602	0	10	BJAE	
C[C@H](Cc1ccc2c(c1)NCCC2)CC(C)(C)C	709152170	GASPNQZJQIRZDC-CYBMUJFWSA-N	245.410	4.660	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)C23CCC(CC2)CC3)C1	710262496	JKBZNBLRDAHLHC-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(NCC[C@@H](C)c2ccccc2)cs1	710710889	NUVDAIFZTXYMFB-GFCCVEGCSA-N	245.391	4.662	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCC12CCCC2)C(C)(C)C	710721927	AYUOQWQTXKMKLE-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@H](CC(C)(C)C(C)C)C(C)(C)C	713209843	DWNCVCDUFJPGGZ-CQSZACIVSA-N	241.463	4.721	0	10	BJAE	
C=C/C=C\CCC1(CNC(C)C)CCC(C)CC1	713729299	WBKGFTXGPLRQCK-SREVYHEPSA-N	249.442	4.703	0	10	BJAE	
C=C/C=C\CC[C@]1(CNC(C)(C)C)CCC[C@@H]1C	713741521	XUHBCKNHEBQDDT-GGVYXGFKSA-N	249.442	4.703	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)C1(CC)CCCC1	713759751	FGWRBTMHCRIATI-XITLMJRVSA-N	249.442	4.847	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H]2CCCC[C@@H]21)C1CCCC1	714303362	IZPFGAUTNRBYMD-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H](CC2CC(C)(C)C2)c2ccccc2N1	723542446	KHGVVUSLVQBWIE-OCCSQVGLSA-N	243.394	4.801	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CC[C@@H]2CCCC[C@H]2C1	723622127	QKPGYIXNUSHTHN-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@H]2CCCC3(CC3)C2)C1	1179670182	FWZNJHQAALYYKR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1cccc(Cl)c1	1308231821	BZMYVBHXMXGWFO-SWLSCSKDSA-N	249.785	4.744	0	10	BJAE	
C[C@H](NC[C@H]1CCC=CCCC1)C1CCCCC1	1474746587	YWPKGPZOPNKLNM-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C/C(=C\Cl)CS[C@@H]1CCc2ccccc21	1641087076	SAARLXQRCCTTBI-AORWBKJGSA-N	238.783	4.550	0	10	BJAE	
CCCC[C@@H](CC)CN1CC=CC12CCCCC2	1648653359	FRPITAWRACZRHX-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
C[C@@H]1CCC[C@@H](Sc2cc(F)ccc2F)C1	1652534409	CXMJFNPUZBDYHE-MWLCHTKSSA-N	242.334	4.636	0	10	BJAE	
CCCCCN(C)[C@H](C)c1ccccc1Cl	1653182387	WWPBSYBTOTYCFH-GFCCVEGCSA-N	239.790	4.523	0	10	BJAE	
CC(C)[C@@H](C)N[C@@H]1CCCCC12CCCCC2	1875414879	RWHLOKYXNDMGKO-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1C[C@H](N[C@H]2CCCCC23CCCCC3)[C@@H]1C	1875421057	XSNIUWAOQFMKPS-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)N(Cc1ccccc1)[C@@H](C)C(C)(C)C	1880409586	QDZXDUOJJJUOKV-GJZGRUSLSA-N	247.426	4.722	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1cc(C)c(C)s1	1905431924	ADEQSIWHXYDSLL-STQMWFEESA-N	239.428	4.581	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)C[C@H](CC)CCC	1905435930	VUUVKPPCBHOFMB-RBSFLKMASA-N	227.436	4.617	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@@H]1CCC[C@H]1C	1908454051	TUPPKIFUVTWDDD-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CSc1ccc(NC2CC3(CCCC3)C2)cc1	1912721437	WSCRPSHGDXYPBW-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
CCCC[C@H](CC)C[C@](O)(CC)CCCC	1919522262	HORTXMZBVJWJAF-GJZGRUSLSA-N	228.420	4.924	0	10	BJAE	
CCCCC[C@](C)(N)c1ccc(C(C)C)cc1	1920437385	ZCXICUSPPKSUAU-INIZCTEOSA-N	233.399	4.564	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC[C@H]1CC1(C)C)NC	1921568028	PJDBFCIDGMIRMF-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CC2(N)C[C@H]3CCC[C@@H](C3)C2)CC1	1923475037	GGINHUCWEGJCKB-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@@H](C)C(C)(C)C	1924102731	BTEFTWLJORUQQO-VNHYZAJKSA-N	239.447	4.602	0	10	BJAE	
Clc1ccc(C[C@H]2C=CCCCC2)cc1	1925821735	WMBAAELQMDJWAU-LBPRGKRZSA-N	220.743	4.629	0	10	BJAE	
CC(=C(F)F)c1c(Cl)cccc1Cl	1927588767	CIOZZYCKFSVZEE-UHFFFAOYSA-N	223.049	4.621	0	10	BJAE	
CCC[C@@H](C(=O)c1ccc(Cl)s1)C(C)C	1927986482	WHDRPQPAQKTZCM-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
FC1(F)CCC[C@@H]1CCC[C@@H]1C=CCC1	1932593463	SEVFVMADGUAWAF-NEPJUHHUSA-N	214.299	4.558	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1CCC[C@@H](C)CC1	1939903029	JMQUHBKWDWPGIQ-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCC1([C@@H](O)CC2(C)CCCCC2)CCC1	1940405602	JHZURVSOFIMHTL-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)C1CCCC1	1940873326	BSIZLFDSDAGCAZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](C)NCC1(C)CC(C)(C)C1	1942072951	CCSZRNNGYTXJFY-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@@]1(N)CC(C)(C)CC2(CC2)C1	1943082471	PVGZKPVNVMHKGC-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@@H]1CCC[C@@H]1C)C(C)(C)C	1944831385	KPVRJFKOZMYWOZ-BYNSBNAKSA-N	239.447	4.602	0	10	BJAE	
CC(C)(NCC1CCCCCC1)C1CCCC1	1945381264	BWUCZFKAIDCULS-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@H](O)[C@H]1CCC(C)(C)C1)CC(C)(C)C	1945589254	WVHNDDUZDSBJCK-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC(C)(C)CC(C)C)C1	1946979838	RSJWQCXJCRDRME-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@@]1(O)CCCCCCC1(F)F	1947290502	VETVSPRJGXCALI-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(N)CCCCCCCCC1	1947864270	FMYCVQXNWVKLJL-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CCC(F)(F)CCC(CC)(CC)CNC(C)C	1947889500	XYEUMUJGPOJGQU-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CC[C@@H](C)[C@@H]1C(C)C	1949045787	VOGSUPSUZPVURN-PMPSAXMXSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CCCC1(C)CC1	1949056223	VPILEYCVLSMASU-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(CC)[C@H]1c2ccccc2NC[C@@H]1C	1949094393	OAJVIMPQAAVTBH-SWLSCSKDSA-N	231.383	4.658	0	10	BJAE	
CCCc1ccc(N[C@@H](CC)CC2CC2)cc1	1950100607	OWXIXJIXTNSLSQ-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
Cc1sc(Cl)cc1C(=O)CCCC(C)C	1959884459	VSOJTXBDCNCGPO-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
CCCC[C@H](CC)c1nc(CCC)cs1	1960043688	HEDGXYNEWUPLJW-NSHDSACASA-N	225.401	4.779	0	10	BJAE	
CCC1(CNC2C[C@H]3CCCCC[C@@H]3C2)CCC1	1965897161	ZXVLFIXIXINJTP-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NCC1(C)CC(C)C1)c1ccccc1	1966139365	AGOVZPFRJUVRES-ARWYELJZSA-N	245.410	4.554	0	10	BJAE	
CCCc1ccc(NC2CC(C(C)(C)C)C2)cc1	1968408213	OPMWEZFSZZWZHF-UHFFFAOYSA-N	245.410	4.876	0	10	BJAE	
CC(C)CC[C@H](C)NC[C@H]1CCCCC1(C)C	1970080869	ZAKPDIDLZHSTHT-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCCCC12CC2	1972725742	QTSLVCLWXSCCHA-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)C[Si](C)(C)C	1978639669	ROHXUHZUXGCCSK-AWEZNQCLSA-N	243.511	4.519	0	10	BJAE	
CC=CCCCC(=O)C1CCC(C)(C)CC1	1984575590	OVPJBHMFWGFQOK-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@@](O)(CC)C1CCC(C)(C)CC1	1996546346	JFQLOZJNMLWTMR-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCSc1ccccc1NC[C@@H]1C=CCC1	1996568200	DTODDXMTONWMRP-CYBMUJFWSA-N	247.407	4.567	0	10	BJAE	
CCCc1ccccc1NCc1cc(C)cs1	1996649501	QLDZOAKZJDSBOT-UHFFFAOYSA-N	245.391	4.621	0	10	BJAE	
CC[C@H]1CCC[C@H](N(C)C2CCCCC2)CC1	1997205693	QFOPAMDENANJLO-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@]1(C)CC=CCC1	1997588656	QUSZLDNNFGWXQE-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](O)CCC2CCCC2)C1	2000025724	XIVVPHHKVYVGFX-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)CC2CCCC2)C1	2000055013	CELNPBGTMYZFPK-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C(=O)C[C@@H](C)CC(C)(C)C)CCC1	2000192746	ZSQUHUDCPZIOQI-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCC(C)(C)C(=O)CC1[C@H]2CCCCC[C@H]12	2002228407	PQBONEPMBOAKMQ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)C1CC(CC(=O)CC2CCCCC2)C1	2002327617	KPINZMDJJKGVEN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)C1CC(C(C)(C)C)C1	2002327920	LOPOFIZYSCRZJB-WOICTCIZSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)CN(C)[C@H](C)C1CCC(C)(C)CC1	2002961203	ITDUTUFXKWVMEA-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCCCC1=O)CC(C)(C)C	2003120560	ZXLAHZSTCKKFRZ-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1CCCC2(CC2)C1	2003217413	JTUDVDGYJFJVNV-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@H]1CCCC2(CC2)C1	2003218221	PNRULVDLQVXYMC-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@@H]1CCC2(CC2)C1	2003282830	RXBQXSGVOZTPBB-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)[C@@]2(C)C=CCCC2)c1	2003333230	BCKSHAUWYGMJDH-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
CCCN[C@H]1C[C@H](CC(C)(C)CC)C[C@@H](C)C1	2006622046	COSOVMRJJODZHE-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@H](NC)C(CC)(CC)CC)C1	2007738592	PMBNJSSRELCJSP-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(O)CC[C@]12CCC[C@H]1C2	2010969248	WFDCLTNGAGKACW-JYJNAYRXSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CC[C@]12CCC[C@H]1C2	2010972726	YSSDOUWRLRFDNO-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H]1CCCCCC12CC2	2011272794	VHWSSZQFJRGLBX-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCC(=O)CC1CC2(C1)CC(C)(C)C2	2011845837	OUMVODKNBWZQKT-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)c1ccccc1	2013266443	GTJPVXIOCHBXEU-GOEBONIOSA-N	233.399	4.552	0	10	BJAE	
Cc1c(F)cccc1N[C@@H](C)C1(C)CCCC1	2014340708	RVQUQFJBNOXLAI-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@](C)(N)C1(C)CCCC1	2014341398	YVYDGUJSAWYOIE-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(C[C@H]2CC[C@H](C)CC2)CC1	2017651469	UQVSKTKQUAUCHI-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1CCC2(CC2)C1	2018135527	ZTNPKEZTPVJTQK-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC1(CC(=O)C2(C)CCC(C)(C)CC2)CC1	2018921871	RNCSFQKPSHJGNJ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CC1(CCC)CC1	2018988628	WQUQNUJCTVAJNL-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(C)CC(C)(CC)CC)C1	2019204826	ZXOKISYBZQBKIT-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCCN1CCCCCC[C@H]1C	2019343291	YIXIGQDHTBGUCH-MRXNPFEDSA-N	239.447	4.857	0	10	BJAE	
CCCCCCN(C)C[C@@H]1CCC=CCCC1	2019939407	TWPCYKXIHIZXEN-MRXNPFEDSA-N	237.431	4.635	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC(C)(C)C(F)F	2026172253	XYBZBHPWHREFRI-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@H]1CC[C@H]2C[C@H]2CC1	2028966220	ZPASFKBXZNPCHJ-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
O[C@H](C1=CCCCCC1)[C@@]12CCCC[C@@H]1CCC2	2031749752	LNWSRNVITAEZHX-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@]23CCCC[C@@H]2CCC3)C1	2031797238	BZLDTFBXUJEKQG-NCOADZHNSA-N	249.442	4.658	0	10	BJAE	
C[C@H](NC(C)(C)C1CCCCC1)c1ccccc1	2033149096	FRKCMWKPKNDTEU-AWEZNQCLSA-N	245.410	4.696	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H]1CCC(C)(C)C1	2033396966	YTBJLIKTAFWRTQ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc2c3c([nH]c12)C[C@@H]1CCCC[C@@H]31	2034151191	XIDRCRAPHAFLOJ-QWHCGFSZSA-N	239.362	4.560	0	10	BJAE	
CC1CCC(CC2(N)C[C@@H]3CCCC[C@H]3C2)CC1	2034162290	SOWAGOZTBPJMML-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCC1)C1CCCCCCC1	2035587355	BXXQCLYGBVWSPL-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C1CCCCC(N[C@H]2C[C@H]3CC[C@H]2C3)CCCC1	2035892406	RJGAHIBZKJBVJL-ZOBUZTSGSA-N	249.442	4.658	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1ccc([C@H]2C[C@H]2C)o1	2037169487	VRFLSMMGNXGBSP-RDBSUJKOSA-N	247.382	4.539	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCC2(CCCCC2)C1	2037171894	DLGREZLHTFTDIB-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C=CCCCC1)C1CCCC1	2037272826	GOFHNKKWNQOGND-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CN([C@H]1CCC12CCCCC2)[C@@H]1CCC(C)(C)C1	2037682104	KIQZCUMYXMHYJH-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@H]1C=CCCCC1	2039032534	NXKXASUUEZOMPJ-TWMKSMIVSA-N	249.442	4.536	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@H](N)CC1(C)CCCCC1	2039439660	ZKWKWKFKNGRXTF-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC2(C1)CC(N)(CC1(C)CCCCC1)C2	2039462578	UVRUFZZISMZNIZ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@](C)(N)C12CCC(CC1)C2	2039847468	RWVAEMXGMZZCHZ-BYLPVYNFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(CNC(C)C)CC=CC1	2042089770	SYNQLKFFYXFXOJ-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCc2cc(C)ccc21	2045293108	AUWKVFVSRWWWMV-WMLDXEAASA-N	245.410	4.541	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)[C@@H](C)C1CCC1	2045326858	QRVBFNKKCDPTGK-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1[C@H](N)C[C@@H]1CCC=CCCC1	2045327759	YBLWZEDLQKXHJL-QKPAOTATSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H]([C@H]1CCCC(C)(C)C1)C1(C)CC=CC1	2045392211	SLGJEIWAKTYYKX-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](n2ccc3ccc(F)cc32)C1	2045454165	GMAOEZNEYHPLNH-AWEZNQCLSA-N	245.341	4.922	0	10	BJAE	
CC1(c2cccc(C(=O)CCCC3CC3)c2)CC1	2045610456	XBSFLXJBVOKVTO-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CCc1cc(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)ccc1C	2046485659	FOFJUCUOFOBPRO-QLPKVWCKSA-N	243.394	4.548	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2CCC23CCC3)C1	2047932981	QLONKLZIVXDHEG-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@@H]2CCCC3(CC3)C2)CC1	2049854216	IZFNHTPRRQRKCW-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CCC2(CC2)C1)C1CCCCC1	2049930391	SVNGYQRQCAJPES-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@H]1CCCCC1(C)C	2053667578	QJKRQDRRGRPQQA-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@@H]1CC12CCCC2	2056450702	MLFJMMSLOBGSGH-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC(CC2(N)CCC3(CCC3)CC2)C1	2056647877	IVIXVRHUVCHMCM-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C(C)(C)C1CC1	2056873881	RJKRRDXCXRWDEN-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H]1CCCCC[C@@H]1CNC1CC1	2059250357	PUGZSPWPXSBFJJ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@H](NC)C1CC2(C1)CC(C)(C)C2	2059253965	VXXIBSBPZARDHT-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC1CC(C[C@@H](N)C2=CC[C@@H](C(C)(C)C)CC2)C1	2061099217	NRYBPHVMNISOEP-BCAXMMLOSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)[C@H]2CC[C@H](C)CC2)CC1	2061139678	HTQRAFPOKNZPQC-JKQORVJESA-N	249.442	4.523	0	10	BJAE	
CCCc1ccccc1NCC[C@]12CCC[C@@H]1C2	2061570943	GYDVZMVCZJOABT-WBVHZDCISA-N	243.394	4.631	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CC[C@]23CCC[C@H]2C3)C1	2061600815	CNBDJHCOAOWOTI-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](C[C@@]12CCC[C@H]1C2)NCCC	2061619097	YUGOEUSMTULHNW-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](CC23CCC(CC2)CC3)C1	2065285883	KJUXDJDJMJCSRO-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCC12CCC(CC1)C2)CC1CCCC1	2065334099	ZXNLWEFWMOELBI-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CCCC2)C1(C)CCCC1	2067571837	WREKEYGSCQRMLL-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)[C@@H]2CCC2(C)C)cc1	2068295222	BMAWVOAGNIOOEY-VBNZEHGJSA-N	245.410	4.636	0	10	BJAE	
CCc1ccc(C(=O)CC(C(C)C)C(C)C)cc1	2068982965	ZEJBZJZOVSWYKL-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CCCC1(C[C@@H]2C[C@H]3CCCC[C@H]3C2=O)CCC1	2069281202	UESKHFUOOSCJRN-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC2(CC3CC3)CCC2)CC1	2069505179	KCYOBJSZXORFGT-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)[C@@]2(C)CC=CCC2)CCC1	2071922626	UCYZSPCFASUIJH-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(CN[C@H]2CCCC=C2C)CC1	2072803022	DDWHZIOKIXCXHQ-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C(=O)CC[C@H]2CC[C@H](C)CC2)c1	2072880723	ZECDBEUIYGXCCB-CTYIDZIISA-N	244.378	4.784	0	10	BJAE	
C1CCC(C[C@@H]2CCNC3(CCCCC3)C2)CC1	2074134636	QYSYBGDMHORBBA-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC1(C[C@@H](N)c2ccccc2C2CCC2)CC1	2074643375	DWWDMUVAACVDBW-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@@H]1CCC12CCCC2	2074901967	ZQKSWKDNPHOVHA-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CN(CC1=CCCC1)C1CC2(CCCCCC2)C1	2075173320	UHBDEAWZCIJHCQ-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2C[C@@H]3CCC[C@@H]32)c1	2077265458	UGISCXCHXJJVLB-JLJPHGGASA-N	241.378	4.555	0	10	BJAE	
CCCCc1ccc([C@H]2CCCC(=O)[C@H]2C)cc1	2077925895	ZLWRZDYHKWMLTP-BBRMVZONSA-N	244.378	4.502	0	10	BJAE	
CCN([C@@H]1C=CCCCCC1)[C@H]1CCCC1(C)C	2078725606	UMHLANUMMDJEGW-CVEARBPZSA-N	249.442	4.776	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@H]2C2CCCCCC2)CCC1	2079426350	AJEOKLBNPROFSN-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CC[C@H](C(C)C)C2)c(C)c1	2085239852	JRDWANKSKQRBQX-HOTGVXAUSA-N	245.410	4.848	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N(C)[C@H](C)c2ccccc2)C1	2085290052	GMBPAMIENDQDAM-DJIMGWMZSA-N	245.410	4.504	0	10	BJAE	
c1ccc(-c2ccccc2N[C@H]2C[C@@H]3C[C@@H]3C2)cc1	2097001017	HJDLBZALVMCGBU-MUJYYYPQSA-N	249.357	4.564	0	10	BJAE	
c1ccc2nc(CCC3CC(=C4CC4)C3)ccc2c1	2125725535	SLNJCSVFKVUVIT-UHFFFAOYSA-N	249.357	4.668	0	10	BJAE	
CCCN[C@H](C)CCCCCCCC1CC1	2210525401	PTMMPQZAJNPZRX-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](C)C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2213280523	RSASOPHUKDGRKX-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NCCCCCCC1CC1	2213575383	FQEWLYZLPSNGGX-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](CC(C)C)C(F)F	2213852169	DSQAPUCSEFRRFD-OLZOCXBDSA-N	249.389	4.615	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC1(O)CCC(C)(CC)CC1	2215247056	FNTJRLTURFNZNM-QVOMUQBLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC[C@@H]1C[C@@H]1CC	2215345531	KJQXHSQACVMLQC-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCNC[C@@]1(CC(CC)CC)CC=C(C)CC1	2215832588	CNGUSWYKGVULDI-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)(CCC(C)(C)C)CNC1CCC1	2217123775	BEZDBNVUTQACLC-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CC[C@H](CNC1CCC1)C(C)(C)C	2217132080	ZZJRVZRNLBSGLG-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1(CCC(C)(C)CC)CCC1	2217148107	OODXFAGAWOXKLI-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218355234	ZYKVZMYSTMRVJV-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)C[C@@]12CCC[C@@H]1C2	2218736502	ZJCHKRMQZZBVGM-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CC[C@@H](NCCCCCCC1CC1)c1ccco1	2218757136	CNRHQSLMRZIVQR-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CC1(C)CCC(=CC2(C)CC(C)(C)C2)[C@@H](CN)C1	2221025844	PLZHPJVJNWPZKG-CQSZACIVSA-N	249.442	4.524	0	10	BJAE	
CCC[C@H](C=C[C@@H]1CC[C@H]2CCCC[C@H]2C1)CN	2222955535	UQMBDKUAFSSFEO-VQHPVUNQSA-N	249.442	4.524	0	10	BJAE	
CCNCCC=CC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222974015	SUBQJYONVITUGX-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C[C@]12CC[C@H](NCCCCCCCC3CC3)[C@@H]1C2	2223118922	NOHBSVXOFHTQIH-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)c1ccc2occc2c1	2224198631	SZEWPOKOVPKKGU-DOMZBBRYSA-N	246.350	4.539	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC2=CCCCC2)C1	2247505901	AZNDQOTUAYIBMH-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CC[C@H]1CCCC12CC2	2247666713	UJLHCENZUFXBNW-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@H]1CCC[C@@H](C)C1=O	2248880914	VHWHWODTUPSGCC-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC[C@@H]1CCCC1(F)F	2250372075	OCOPRPZPMANSKX-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCN[C@H](C)[C@H](C)CC[C@@H](C)CCCC(C)C	2250478893	NIRUXTNGJGMMDU-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1C[C@H](C)C[C@H]1O	2250479354	TXJUTRWJWGMOAC-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](N)[C@@](C)(F)CC[C@H](C)CCCC(C)C	2250480091	BRMBAJDGNUWLLS-ILXRZTDVSA-N	245.426	4.695	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@]12CCCC[C@@H]1CC2	2251178764	GQUQSZDZADLLBQ-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)N[C@H]1CC(C)(C)CCC1(C)C	2251664079	GOCMPYBLULVFJT-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CC(C)=C(C)C[C@@H]1[C@H](O)C(C)(C)CCC1(C)C	2251709768	ZGCLTGPJZCVDEY-KGLIPLIRSA-N	238.415	4.556	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCN1CCC12CCCCCC2	2254588299	SJCKPNZXUBQJLZ-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CCCC[C@H]1C[C@@H]1C	2254613117	ZFHZWQBNRNGMGB-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@@H]1CCC12CCC2	2254843643	IIICRKJHIVNLCN-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC[C@@]1(CNC2CCC2)CCC12CCC2	2254854423	JCOOFIRNUXWONB-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CNCC1(CC2=CCCCC2)CCCCCCC1	2255101022	JFHWMLIRQGKTTI-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)CC[C@H]1CCCC12CC2	2255311099	PXDLPODNHYJMNP-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(F)c1NCCCC[C@@H]1C[C@H]1C	2256112161	YAJWUKKNQZGDAW-TZMCWYRMSA-N	249.373	4.626	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H](C)C2CCC2)cc1	2256240655	XADIIIYQODMPHM-ZDUSSCGKSA-N	244.378	4.648	0	10	BJAE	
CC(=CCCCC[C@H]1C[C@H]1C)c1ccc(N)cc1	2257253989	FCTLUGAQNWHJFE-ZBFHGGJFSA-N	243.394	4.889	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc(C2CCC2)cc1	2259450245	ZGAZJGNRPNBYRK-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
C[C@H](C(=O)C[C@@]12CCCC[C@H]1CC2)C1CCCC1	2260582990	MIIPMTZFFQKDDT-QRTARXTBSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(F)cc1NC[C@]12CCCC[C@H]1CC2	2260624231	OOGHJTNDLFEMEL-XJKSGUPXSA-N	247.357	4.516	0	10	BJAE	
CCCCCC1CC(NC[C@]23CCC[C@H]2CC3)C1	2260632372	CVXFKAVCOSHHSI-ODZFXCKXSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](c2cccc(C3CCCC3)c2)N1	2260665524	WDMXCMPWIPWXIE-SUMWQHHRSA-N	243.394	4.547	0	10	BJAE	
CCC1(CC)CC(N)(C[C@@]23CCCC[C@@H]2CC3)C1	2260677004	CBXITNXROFRMGE-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
C/C=C/CCCc1ccc(OC)c2ccccc12	2263206013	NKDZLPNSYNJREE-ONEGZZNKSA-N	240.346	4.747	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1CC)[C@H](C)CCC	2298127028	MXWPBZINVTYZHU-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC1(C)CC(C)(C)C1	2300502634	CPTNENHUKXKPLL-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@H](CCC(CC)CC)C1	2300683435	JPSGKWANQMSCDM-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CNCCC(C)(C)CC=C(C)CCCC(C)C	2300883374	DYQVQOYZRNDVNN-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CCCCCN(CC1CCCCCC1)C(C)C	2301140188	MTXAPIHCJRWLNV-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
Cc1scc(-c2ccnc3ccccc23)c1C	2301459415	IEFGOLJZHIPVKG-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)[C@@H]1CCCCC[C@@H]1C	2301967246	IQSIMENNDSGURE-YHUYYLMFSA-N	239.447	4.568	0	10	BJAE	
CCC(CC)Cc1nc(-c2ccccc2)cs1	2302224925	NHGDRNNPXDMOIB-UHFFFAOYSA-N	245.391	4.789	0	10	BJAE	
C[C@](N)(CCCC1=CCCCC1)c1cccs1	2302342739	MJHJQYRSBCTIEV-HNNXBMFYSA-N	249.423	4.593	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)CCCC1CC1	2302356501	NZVDGCVAZCWFIE-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C)C[C@@H](C)CCCC1=CCCCC1	2302359697	TYCAMNRPYNVQKX-GJZGRUSLSA-N	237.431	4.681	0	10	BJAE	
C[C@]1(O)CCCC[C@H]1CCCC1=CCCCC1	2302362528	ZVLRGOOJHFVDEE-HOTGVXAUSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@H](CCCCC1CC1)NCC	2302573007	AILBPNXDVXKSDS-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2CC(C)(C)C2)CC1	2303583946	NRNWCWVXVBOLLR-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1(C)CC2(CCC2)C1	2307909175	JUDWYMZKCQYIOK-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1(C(C)(C)C)CCC1	2307910134	XJASYPNYTXQCNH-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309185434	XJBDSBHNNQSSIF-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@]12CC[C@](N)(CC3(C)CCCCC3)[C@@H]1C2	2310126327	KWUYXAVASKPHAO-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@@H]1C[C@H]1C1CCCC1	2311526171	VVPBVWIDPDLTSF-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@@]23CCC[C@@H]2CC3)C1	2313345640	CTMSJFRKOYCMSP-ANQUJSFKSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC1=NCCCCC1	2315878012	OOPJINJHDXZCEI-UHFFFAOYSA-N	244.382	4.503	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@H]1CCCCC12CC2	2316541785	JSUIOBPEHOLZDX-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)[C@H]2CC[C@@](N)(CC3CCCCCC3)[C@H]1C2	2316883316	HJRAQIOLRYCHPL-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1=CCCCC1)CC1[C@@H]2CCCC[C@@H]12	2317939285	POJKDLZTJWQOIK-HZPDHXFCSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@H](N)CCCC2=CCCCC2)C1	2318570224	VCTVAOBAZHCVFP-USXIJHARSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)C1(CC)CC1	2318576042	LIQQNXRLYAZURM-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCNC[C@@]1(C[C@@H]2CCC(C)(C)C2)CC=CCC1	2319064535	ILJVKRSHJIZFPD-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCCC1(C[C@H](N)C[C@H]2CC[C@@H]2C2CC2)CCC1	2319542263	ABUAVVHHPUWJSU-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@]1(N)CCC12CCCC2	2320247836	RBLLPKWVDLQKGV-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(N)C=CCCC1(C)C	2320254282	JHSJEOSYKSKOOS-VBQJREDUSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(O)CCC3(CCC3)C2)CC1	2320327678	MONRFZKTYFFDCB-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1[C@H](C[C@@H]2CCC(C)=C(C)C2)CC[C@@H]1NC	2320388819	UKZDNSMLGKFVHM-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)c2cccc(C)c2)CC1	2320394600	RJUZHIZUOCTGPM-OAHLLOKOSA-N	242.362	4.704	0	10	BJAE	
Cc1ccc2oc(-c3cc4ccccc4o3)nc2c1	8188497	YJTUIFYGCFTSNL-UHFFFAOYSA-N	249.269	4.549	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCCC[C@@H]1C	19986736	JFEYNQIWRRQKNP-GXFFZTMASA-N	237.774	4.639	0	10	BJAE	
CCc1ccccc1N[C@H](CC)C[C@H](C)CC	20547500	QUFQOMAGAGMRBY-UKRRQHHQSA-N	233.399	4.876	0	10	BJAE	
CCc1ccc([C@@H](C)N[C@@H](C)CCC(C)C)cc1	21041899	QXYIYXQUOILOMW-LSDHHAIUSA-N	247.426	4.724	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2cccc3ccccc23)C1	21520477	NIWPQSGSJKBLQK-DZGCQCFKSA-N	239.362	4.830	0	10	BJAE	
CCCN[C@H](c1c(C)cc(C)cc1C)[C@@H](C)CC	35582116	WGAMCQMQQFABKO-GUYCJALGSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H](Nc1ccc(C(C)C)cc1)C(C)C	37199971	VJZHRQFNFJEEPW-OAHLLOKOSA-N	219.372	4.657	0	10	BJAE	
CC(C)(C)c1ccc(NCC2CCCC2)cc1	41258028	ATLRIKJSXHTGKF-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CC[C@H](C)C[C@@H]1C[C@H](c2ccccc2)CCC1=O	50426046	FKZZHCXSJRWETD-NUEKZKHPSA-N	244.378	4.576	0	10	BJAE	
CCSc1ccccc1N[C@H](C)CC(C)C	71104770	XUICVJAHONIYJT-GFCCVEGCSA-N	237.412	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CCCCCCC2)C1	71105223	MUGHGISMDRWIDP-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
CCC1CCC(NC2CCC(C)(C)CC2)CC1	79652725	HLTMOHARANJBOK-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCCCCC(C)(C)CNCC(CC)CC	87399084	NRMAOJHKYUNDHK-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2cccc(C)c2C)C1	87984623	PJYSTQQUFIRQMT-HUUCEWRRSA-N	244.378	4.703	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)c2cc(C)cc(C)c2)C1	87988300	WKODMODCFVGYHY-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
c1ccc(-c2ccccc2NCCC2CC2)cc1	88490704	GRERGPYMNVEOSB-UHFFFAOYSA-N	237.346	4.566	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C2C(C)(C)C2(C)C)cc1	91493276	FZSGYBJPVUPBPJ-CQSZACIVSA-N	246.394	4.526	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2C[C@H](C)CC(C)(C)C2)c1	91510794	WEAWCPLIGPHKED-SWLSCSKDSA-N	249.373	4.761	0	10	BJAE	
CCC(CC)[C@@H]1C[C@H](c2ccccc2)CCC1=O	94676064	UCDUEDDNIPGBKZ-CVEARBPZSA-N	244.378	4.576	0	10	BJAE	
CCCCCCC(=O)c1c[nH]c2cccc(C)c12	97467725	LMJIGJSWLIMAPC-UHFFFAOYSA-N	243.350	4.629	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(F)c(C)c1	103973292	NFKYFSDSHKLEAU-DGCLKSJQSA-N	237.362	4.761	0	10	BJAE	
CCCCNc1cccc(Oc2ccccc2)c1	109925889	RYXWTYAFIUPQQQ-UHFFFAOYSA-N	241.334	4.691	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1cccc(C)c1	111817363	NUJDNPOJRPRJDF-HOCLYGCPSA-N	234.383	4.635	0	10	BJAE	
CCSc1ccccc1N[C@H]1CCC(C)(C)C1	129476392	AGJSJYXIZYZUBA-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1cc(C)sc1C	132974981	MOCOQBXLWROMKX-CQSZACIVSA-N	240.412	4.615	0	10	BJAE	
FC(F)(F)c1ccc(Cl)c2ccccc12	139390343	DDKYKJZBJJKICM-UHFFFAOYSA-N	230.616	4.512	0	10	BJAE	
CC[C@H](C)C[C@H](N)c1ccc(C)c2ccccc12	167342094	DXRCZOYTSCBVHC-SJCJKPOMSA-N	241.378	4.584	0	10	BJAE	
CC(C)(C)c1ccc(OCC2CCCCC2)cc1	202165046	TYCBXHYSKPEOMO-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@@H]1CC[C@@H](C)[C@@H](C)C1	221373940	CDFNDGLIHJBWCS-IBEHDNSVSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC[C@@H](CC)C1	226933706	FCFCUEBGGZYYHG-XHSDSOJGSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)c1ccsc1C	227915092	QRAKZXZVTDMMJY-OCCSQVGLSA-N	239.428	4.533	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccc(C(C)(C)C)cn1	232580482	IPUUJARSIBSRGK-ZDUSSCGKSA-N	248.414	4.616	0	10	BJAE	
CCCCCC[C@H](N)c1scc(C)c1Cl	232947257	SVQPEVAEEWVDBD-JTQLQIEISA-N	245.819	4.680	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC(C)(C)CC[C@H]1N	251382792	RYMBDJKSZYGHGY-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCCC2(C)C)CC1	252103158	GOVOIXLFBKAVDH-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CC[C@@H](C)[C@H](C)C1)C(C)(C)C	253192890	NUZUSIVUHQSETI-MQYQWHSLSA-N	238.415	4.700	0	10	BJAE	
CCCCc1ccc([C@H](N)[C@H](C)CCCC)cc1	302308235	FPGGZCBIFZIOPC-RHSMWYFYSA-N	247.426	4.855	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(O)CCCC(C)(C)CC1	305972449	QAAIDAWDKNHNIE-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
Fc1c(Cl)sc2ccc(C(F)F)cc12	306696439	XMFDZIVHXOFEIE-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1CCCC12CCCCC2	313000867	APTURLDTSCPYDI-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCC[C@@]1(CNC(C)C)CC=CCC1	316945878	BQTRMSHKHKEXRR-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC(C)NC[C@@]1([C@H]2C=CCCC2)CCC[C@@H](C)C1	317366877	JJSRTWWLWCYESO-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@](C)(CC)[C@H]1C=CCCCCC1	318374996	BMEHWTGEVLHKJZ-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@@H](O)CC/C=C\c1ccccc1	324000472	ISRUEUDYRHCSAM-HOFZKYPUSA-N	246.394	4.811	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CC1=CCCCC1	383302895	UGNKPGVZWUOTGR-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC[C@H](N[C@@H](C)CCC(C)C)c1cccc(C)c1	385159657	UJGMPMOZENHUMK-RDJZCZTQSA-N	247.426	4.860	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1C[C@@H]1CC(C)C	387667066	IXKYNXTZFLWWNN-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCc1cc2ccc(CC)c(C(F)F)c2s1	396164931	BZWUNMOSBNSNEN-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1csc2ccc(C(F)(F)F)c(C)c12	396305490	OSXZVQOTYDXKGV-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCc1ccc(N[C@@H](CC)[C@@H]2CC2(C)C)cc1C	397631892	OMKRKUJWBBWHDG-HOTGVXAUSA-N	245.410	4.794	0	10	BJAE	
CC[C@@H](C)c1ccc(OCCC2CCC2)cc1	398893914	FQEOQCVDHMEXMO-CYBMUJFWSA-N	232.367	4.769	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	403667460	UJXWCBZYUBIYQI-JREQNMATSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCC(C)(C)C2CC2)CC1	406056185	KKVLLTWNYJGPOY-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@](O)(CCC1CCCCC1)CC1CCCC1	689766810	NKPLYBUJZMUFBT-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1N[C@@H](C)c1ccco1	691098080	HXHJYFQREUYQJA-RRFJBIMHSA-N	249.398	4.535	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1ccc2sccc2c1	691832567	COPOOPWRSWOFTR-ZDUSSCGKSA-N	247.407	4.598	0	10	BJAE	
CCCCCC[C@@H](CC(C)(C)CC(F)F)NC	694090243	ZEGMNMKLOZJPBH-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCc1ccc(C(C)(C)C)cc1C(F)(F)F	694937746	RVHIYGXCTWMOIA-UHFFFAOYSA-N	230.273	4.565	0	10	BJAE	
CCC[C@H](C1CCCC1)[C@H](CC(C)C)NCC	695104006	XKZQVGNODYUSDI-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccc(C(C)C)cc1	697283780	DWSRXGRNBVXYNO-OAHLLOKOSA-N	234.383	4.670	0	10	BJAE	
CCC(CC)n1ccc(CCCC=C(C)C)n1	698003414	JOKLWHBIRZWHNX-UHFFFAOYSA-N	234.387	4.533	0	10	BJAE	
CCC(C)(C)C[C@@H](CNC(C)C)c1ccccc1	701147532	JERNWTKGYQYYQV-INIZCTEOSA-N	247.426	4.595	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1CCCc2ccccc21	701336502	KBLYVPGKPRUIAM-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@@]1(C)CC1(C)C	702160094	PLCZWIMZUCIVFQ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)[C@]2(C)C[C@H]2C)cc1	704372191	MRDJYPHYXUERRW-SJKOYZFVSA-N	244.378	4.603	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(O)CCC(C)(C)CC1	709257838	ISZVEVPYMLFSRE-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](CC(=O)c1sccc1C)C(C)(C)C	711079688	HITOHGNLPUEGAQ-NSHDSACASA-N	238.396	4.702	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CCC(C)(C)CC)C1	711301762	ULBFFOHIZKZYJC-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)CCC1CCCC1	713042795	JLRXPWUPCYMLSW-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CC[C@H](C)c2ccccc21	713245196	SQESHXPICLPWFJ-GUYCJALGSA-N	245.410	4.564	0	10	BJAE	
CC1(C)C[C@@]1(C)CNc1ccc(C2CCC2)cc1	717124581	OAZKPJZZFPHGIV-KRWDZBQOSA-N	243.394	4.802	0	10	BJAE	
CCC1CCC(CN)(CCC(C)=C(C)C)CC1	718731019	PZKZLQQVMGTSSU-UHFFFAOYSA-N	237.431	4.668	0	10	BJAE	
Cc1cc(N[C@H]2CCCCCC2(C)C)ccc1F	719258075	BVQHXYWDOZAMTO-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1ccc(Cl)cc1	1308324162	BOUHKFCJTUJPCX-IUODEOHRSA-N	249.785	4.744	0	10	BJAE	
CCC(CC)SC[C@H]1CCC[C@H](C)C1	1458943568	DVBGEWIAUXCLCU-RYUDHWBXSA-N	214.418	4.735	0	10	BJAE	
c1ccc(CCCSC2CC3(CCC3)C2)cc1	1643699512	HAMJBAMEPBEMDV-UHFFFAOYSA-N	246.419	4.685	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)CCC=C(C)C	1659830777	GJYIYTJTBVHELN-LSDHHAIUSA-N	225.420	4.680	0	10	BJAE	
CCC[C@H](C)CCNC[C@H]1CCCC(C)(C)C1	1663165265	OQGMVHIOZKKJDZ-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CCC(C)C)CCC(CC)CC	1900704566	RRLMPISCLNEDHC-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
C=CC=CCCc1cc(C2CC2)ccc1Cl	1901195235	VWGNBCYJWWPNOF-UHFFFAOYSA-N	232.754	4.892	0	10	BJAE	
Cc1cc2sccc2c(CCCC(C)C)n1	1901881958	YQGZLSDQXKTYHM-UHFFFAOYSA-N	233.380	4.583	0	10	BJAE	
CCC(=C[C@@H]1CCC[C@@H](CC)C1)CNC(C)C	1911910895	LOCDHWAKDOZOGT-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H]1CC[C@H](CC)C1	1911962317	GPMYPHIXXRTZAZ-ULQDDVLXSA-N	249.442	4.703	0	10	BJAE	
CCC(C)(C)[C@@H](CCC=Cc1ccccc1)NC	1912086608	CUZPEGDEGSFSSJ-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
c1cc(N[C@@H]2CCC3(CCCCC3)C2)cs1	1915907270	DOQYBNNXXHWJMD-GFCCVEGCSA-N	235.396	4.663	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H](C)C(C)(C)C	1920185865	MPZCDRPDGMKEPW-ZFWWWQNUSA-N	227.436	4.747	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H](C)c1ccccc1	1920205233	WACPOZYSQKGIPE-DOTOQJQBSA-N	247.426	4.868	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C1CC(CCC)C1	1921276227	FEQPDSADHMWHRF-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCCC1CC([C@H](CCC(C)(C)CC)NC)C1	1921285387	FHTZRYIOQLFQEL-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCC)C1CC(C(C)C)C1	1921294626	ROGMHUDTWIMHQR-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H]2CCCC23CCC3)C1	1921601809	JUOJSMKVAPTFGJ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@H]1C=CCCCC1	1925919200	BMFXAHNVDKKOJQ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC(F)(F)CC	1938811395	GUONCWDYXCYCJQ-NSHDSACASA-N	234.330	4.597	0	10	BJAE	
CCCCC[C@H](NCC)c1cscc1CC	1938826837	PETQXMKGJKEJHJ-AWEZNQCLSA-N	239.428	4.541	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](N)C1CCCCCC1	1941266144	ADYZWFAHEIFGOL-CVEARBPZSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@H]1[C@H](O)CCCCCC1CC1	1941572675	DEQWBPSUDBUHMW-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC1C[C@@H](C)C[C@H](C)C1	1944202063	HBVSTKQWPRCWTE-KCQAQPDRSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNC2(C)CCCCCC2)C1	1945604774	FLTHHLCIKQNVGJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CCCCCC(C)C	1947463264	OTRUNIUKTLRPDD-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
C1=C[C@@H](Cc2ccc3ccccc3c2)CCC1	1947553034	UOWPIYVICMPASR-CQSZACIVSA-N	222.331	4.739	0	10	BJAE	
CCC[C@@H](NC1CC(C)(CC)C1)C1CCCC1	1948399060	XLAHQUIFKVIHAP-HWOWSKLDSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CCC(C)(C)C(F)F)NCCC	1948425740	QBLGRPFNDJSPHC-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCC1([C@@H](N)CCC(C)(C)C2CC2)CCC1	1949034002	PKRVXIIPJMKEPP-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C[C@@](C)(N)C1CCC(C(C)(C)C)CC1	1949069823	HTNBPKYCYCJHNM-ZBCRRDGASA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CCC(C)(C)C(=O)C1	1949656894	UWKUHQGSYCWTOQ-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1CCC2(CC2)C1	1950267388	LWNVXYLCQSIHEP-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@]1(CNCC)CC12CCCCC2	1950598325	FHOXULVVKKWNPM-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C2CCCCCC2)CC1	1950928907	BSFYARRWDMIMKK-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2C2CC2)CC1	1966047594	FTAURAGSWDIKHJ-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CCCN1CC=CCC12CCCCC2	1966511314	IRRCFLTUWDHSNM-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1CC[C@H](C)C1	1968350536	UYOQQOQFLCRYMA-ZFWWWQNUSA-N	246.394	4.933	0	10	BJAE	
CCCN(CCCC(C)(C)C)Cc1ccccc1	1968373205	GOCJGQSWNKBQDF-UHFFFAOYSA-N	247.426	4.725	0	10	BJAE	
C[C@H](CN(C)[C@@H]1CCCCC1(C)C)C(C)(C)C	1970181994	VBLSREHCXIYVTE-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC2(CCCCC2)C1)C1CC1	1971145941	XVZDLOVRCNPDFU-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CCC/C=C/CNc1ccccc1SCC	1975485337	PHPTZBGSXNCWGQ-RMKNXTFCSA-N	235.396	4.567	0	10	BJAE	
CCC[C@@H](C)CC1(N)CCC(C)(CC)CC1	1981061290	SRYDJRHNFDGFHF-WLYUNCDWSA-N	225.420	4.501	0	10	BJAE	
C/C=C/CCCC[C@H](NCC)c1cccs1	1984630690	UOKARTQNGJLNKN-LQPUYASZSA-N	237.412	4.535	0	10	BJAE	
CCCCC[C@H](CC1(CCC)CCC1)NC	1988464154	LWNAISZVZJBZGX-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC(C)CCC(=O)C[C@H]1CCCC(C)(C)C1	1994026338	PFKNREHQXOREGF-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(C)=C(C)CCN1CCCC12CCCCC2	1995825691	GIPYJMSBDPCPIR-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
C[C@H](C[C@](C)(N)C1(C)CCCCC1)C(C)(C)C	1995985357	IWYZPOXSCQMNRY-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCCSc1ccccc1N[C@@H](C)CC1CC1	1996574010	OCFDGPJIDVMAIB-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CC[C@H](NC[C@H](C)CC)C1CCC(C)(C)CC1	1996595290	UTMIVVLEWPKGCF-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)CNCCC1CCCCCC1	1996614767	BYZNKPPGXNHADT-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC1(C)CCC[C@]1(C)NCC1CCCCCC1	1997341188	LJYIOEJSDBABDI-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC=CCCC1)C(C)(C)C	1999990482	KIHSSRYRBOCFEF-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H]2CCCC2(C)C)C1	2000103146	YOSUFTIWVXRMOY-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@H]1CCCC(C)(C)C1	2000151678	UVEARJIRJGONAV-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1CCCCC1(F)F	2000194129	XKBGDJPFKRNDTC-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CSc1cccc(C(=O)CCC(C)=C(C)C)c1	2000215511	WLSVGUSMCXSRBA-UHFFFAOYSA-N	248.391	4.728	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H]1CC12CCCC2	2001272226	RWPXZTUEUDZDQG-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCCCC[C@H]1O	2003098974	JARAGIDHMLITCT-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](C[C@H]1CCCC2(CC2)C1)NCC	2003213175	CDHQICBPYVZXKT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@@]1(C)C=CCC1	2003319984	DPABGYKPCAFRKI-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(O)([C@H]2CCCC[C@H]2C)CC1	2004354237	WSIJEENSUAIZEK-QVOMUQBLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](C)C1(C)CCC1	2004822087	MXXQUWVEVKGABX-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@H]1CCC[C@@H]1C(C)C	2007623834	XHZQSMMSLUCEKV-PMPSAXMXSA-N	238.415	4.556	0	10	BJAE	
CC[C@](O)(C=C1CCCC1)CC1CCCCC1	2007920799	JVVQQDZMHRJGHK-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1NCC[C@]1(CC)CC1CCCCC1	2009061246	DXBBGNFXEREUJW-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCC(C)(C)C)[C@H]1CC	2009248530	JDLAWEZMUNECLI-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CCC2(C)CC2)CC1	2009550864	CFCQHZRYKARWTL-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC=CCCCNc1ccccc1SC1CC1	2009589844	DVPKFHVCNAUBNR-UHFFFAOYSA-N	247.407	4.709	0	10	BJAE	
CCCCC1CC(N)([C@@H]2CCCC(C)(C)C2)C1	2009791238	JMEIYSHIQMVFSS-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CCCCCC12CC2	2011275224	QJAMLIVLCKAAHZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCCC(=O)C12CCCC1CCC2	2012135485	MHIDXFVQSNHHAC-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@H]1CCC[C@H](C)C1	2013271984	XQCQOBQCSHSQOT-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)(CNCC(C)C)C[C@H](C)C(C)C	2015401389	SGPILVUVKLNVMC-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CCCC1(C[C@@H](NCC)C2(CC)CC2)CCC1	2015646772	AQNAZAMMIIVHCA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CC[C@@H]1C1CCC1	2017056582	CZJYXXPTLVPFGD-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCC[C@@]1(O)CC1(C(C)(C)C)CCC1	2017115291	WVOUWNCQKJBACM-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@]1(N)CC1(C(C)(C)C)CCC1	2017139591	XCVTZZMTOVWKPI-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CC1(C(C)C)CCC1	2017147289	BDNXANDXMRJBHA-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](CC[C@H]1C[C@H]1C)NCCC	2017238757	QOSIVOJYNKHPML-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CN(C)[C@H](C)C1(C)CCCCC1	2017466215	KNUOQTFMOJAQIP-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)[C@H](C)CC(C)C)CC1	2017656205	VIBXODDXSAUSHD-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCC1(CC)CC(N(C)CCCC(C)(C)C)C1	2019332092	JOQAMQAKLFJUCI-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
FC(F)c1ccc(N[C@@H]2C=CCCCC2)cc1	2019504519	AOIMWGCUXWIHQN-GFCCVEGCSA-N	237.293	4.535	0	10	BJAE	
CCCCN(CC(C)(C)CC)C1CCCCC1	2020535731	LTXIOCHWBSCIQB-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCC(O)(CC)CC[C@H]1C[C@H]1C1CCCCC1	2022524559	ACJWGROYNQEGGW-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCC[C@@H]2CCCC[C@H]21	2022991365	JDPUUJQWEYJFKE-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@H](N)CCCCC(C)(F)F)C(C)(C)C	2023278174	IHMHAOOCTQTIEU-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
CCN[C@@H](CCCCCC(C)(F)F)CC(C)C	2023300307	USZWOEUXMNNRNL-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H](C)CC(F)F	2026075198	SXDGGUOFNMNWJS-NWDGAFQWSA-N	248.357	4.843	0	10	BJAE	
C[C@@](F)(CCC1CCCCC1)c1cccc(N)c1	2027938241	CVAZHKIDEITGLA-MRXNPFEDSA-N	249.373	4.814	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)c2ccc(C3CC3)cc2)C1	2028589645	BJWAJYNZGSAMAV-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](NC)c1ccccc1C1CC1	2028602405	IJWGCLGLNBDLGY-WMLDXEAASA-N	245.410	4.507	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1NCC1CCC=CCC1	2028893086	WHONWUPDCJAIRK-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C(=O)C2CC[C@@H]3C[C@H]3CC2)CC1	2028965588	UDGVYMNIJMLBKI-BCAXMMLOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C=CCCC1)C1CCCC1	2035594343	VGKGCHUQLCOZSI-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1cc(C)c(C)cc1C	2037139098	WNIGFXAZHXFRBW-INIZCTEOSA-N	247.426	4.828	0	10	BJAE	
N[C@]1(C[C@@H]2CC=CCC2)CCCC12CCCCC2	2037160242	XDNWJALVJWWNEK-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1c2ccccc2NC[C@@H]1C	2037227170	ULGXSPNGFCOESC-ZFWWWQNUSA-N	245.410	4.904	0	10	BJAE	
CCC1(c2nc3c([nH]2)[C@@H](C)CC[C@@H]3C)CCCC1	2038007290	NHWJIYVACIBSQJ-RYUDHWBXSA-N	246.398	4.632	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(CN)CC23CCCCC3)C1	2039000431	SBPFVUVXELTIGR-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@@H]1CC12CCCCC2	2039005907	LVGGJLJEYKEZTE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(N)CC2(CC(C)(C)C2)C1	2039463101	BLCZHRHNAARNOZ-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2CC[C@@H](C)C2)C=CCCC1	2040182597	REVOZJKWWKIZRH-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H]1CCCC2(CCC2)C1	2041297808	XDPLWYNCRGNPHW-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H](C)C1)[C@H]1CC=CCC1	2042024866	QACBMTWNBZMVJX-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)[C@@H]2CC=CCC2)CC1	2042089811	UHBRALMHHJYPOQ-WLYUNCDWSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCC[C@@H]([C@]2(N)CCC23CCCCC3)C1	2045382771	SVYXZUIMTLPDNI-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
O=C(C[C@H]1CC12CCCCC2)C1CCCCCC1	2047053610	XEXQJRUHIHNJIZ-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
N[C@H](CC[C@H]1[C@H]2CCCCC[C@H]21)CC1CCCC1	2048488699	ODWNRNWFNVTRTR-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(NC[C@@H]2CCCC23CC3)CCC1	2049679486	WOFWGXAXSWYBDA-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@@]1(C)C=CCCC1	2049997590	OOHVYKZYXCCOIT-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CCC[C@@H](NC)c1cccc(C)c1	2050455520	GKYWVLNXZNZZFC-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CC1([C@H](N)c2cccc(F)c2)CCCCCCC1	2052474443	AFZTUOVOVMVOCH-OAHLLOKOSA-N	249.373	4.576	0	10	BJAE	
CC=C(C)[C@@H](NCCC)C1CC2(C1)CC(C)(C)C2	2056774632	KWYYBSNISDTAGW-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)c1ccc(C)cc1	2056874550	YFSFHIHZHSDHQW-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2CC(C3CC3)C2)CC1	2057833615	YPEYBXRHKJLACH-IQAUEXFUSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2CC(C3CC3)C2)CC1	2057833616	YPEYBXRHKJLACH-UUNGTBAKSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@]12CC[C@@](N)(CCC3CCCCC3)[C@@H]1C2	2058568291	CBLRPRUDBUHGAH-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC1(CCC(=O)[C@@H]2C[C@H]3CCCCCC[C@H]32)CC1	2059239375	QBKXICZCBCTPFS-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCCCC1CC(N[C@H]2CC23CCCCC3)C1	2059391364	AUWGCUKEQQHMPX-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC=C([C@@]2(O)CCCC23CCCCC3)CC1	2060920382	DPCYCLJRAQQPNX-PBHICJAKSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@@H](NCC)C2=CC[C@@H](C)CC2)CCC1	2060926565	RXDYXRJSAQGUPS-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C(C)(C)C)CC1)C1(C)CC1	2061095170	LGKGNAPQNREEMM-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@](C)(N)C2CCCCC2)CC1	2061116341	PFHVBZVRFWMBKW-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)C(C)(C)C2CCC2)CC1	2061139855	ITMRQLYHXLBEMY-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@]12CCC[C@@H]1C2)C1CCCC1	2061574871	MEABNRDSYNNXJI-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC1(CNC(C)(C)C)CC=CC1	2062646730	OLEIMJNZTHVDEW-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CC3(C2)CC3(C)C)C1	2064132278	JBWQZVNNCKIBPN-YFTKNLTDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CC23CCC(CC2)C3)C1	2065285444	FRSSNMHBYACXAS-TXOGFHGLSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@@H](C)NC[C@H](C)CCC)cc1	2066315309	YIBVCPPFACWWQC-HUUCEWRRSA-N	247.426	4.726	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1cccc(C(C)C)n1	2066350493	XZWAHYLORNMGEQ-AWEZNQCLSA-N	248.414	4.832	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCCCC2)CCC1(C)C	2068245374	PPDONDMUGAKISA-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C[C@@H]1CC12CCC2	2069196026	FEZRCUKLBABYQO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C1(CC2CC2)CC1	2069511161	KXLJGRRQYGOOSM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@]12CCC[C@H]1C2	2070791187	UQFGBQQYFOAOJF-SUMWQHHRSA-N	243.394	4.586	0	10	BJAE	
c1cc(NC[C@@]23CCC[C@@H]2C3)cc(C2CCC2)c1	2070805021	SPPFVBNCUOBHKH-WBVHZDCISA-N	241.378	4.556	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)c1cc(C)c(C)o1	2074643936	LIPPWSIWPWQWTN-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
OC1(CCC2=CCCCC2)C[C@H]2CCC[C@@H](C2)C1	2075713632	NRBUYLQTNSTHRH-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@H]2C2CCC2)CC1	2079334859	YJNNGNGSYNBQAN-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1C[C@@H]1C1CCCCC1	2079488773	VTTSQBSZIJWFSY-CVEARBPZSA-N	248.410	4.908	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)C1CC2(CCCCC2)C1	2079865614	PBWMXAZJHZQCMU-ZFWWWQNUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2081118952	QLYLJGZTHDZSPM-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@@H]2C[C@H]2C2CC2)C1	2082984870	FAJJFEZAZYHDGJ-XPKDYRNWSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@](N)(CC)c1cccc(C(C)(C)C)c1	2083555968	VVFQQSMCCCBZRA-QGZVFWFLSA-N	247.426	4.738	0	10	BJAE	
CCC1CC(C[C@@H](O)c2cccc(C(C)C)c2)C1	2084877404	HZKWASGPTPXHQE-MQBCKMQZSA-N	246.394	4.670	0	10	BJAE	
Cc1cc(Cl)cc(O[C@@H]2C=CCCCC2)c1	2212529825	CGBIGZZBRDZGTQ-CYBMUJFWSA-N	236.742	4.526	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CCCCCCC2CC2)N1	2213575758	IVYUIMXUZRZEMW-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCC[C@H](N)C1CCCCC1	2214767200	ICUPLKLKBNQBJL-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@](CC)(CC[C@@H]1C[C@H]1CC)CNC	2215265873	MNLLDGKZTGYDRR-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@@H](C)CC(C)C)CC1	2215801548	JKWPIWGVHOFNFF-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](C)C[C@]1(CN[C@H](C)CC)CC1(C)C	2217134640	DEJTWQMUMSBFHA-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1(C[C@@H](C)CC(C)C)CCC1	2217146963	FHUKQCNDQYGZHH-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@H](O)C/C=C/c1ccccc1)C(C)(C)C	2219062520	NGEQXCMYFLKYHY-MOWVAICQSA-N	246.394	4.523	0	10	BJAE	
CCCN[C@@H](C/C=C/c1ccccc1)[C@@H](C)CC	2219081120	MAAUBQRUVGKFOJ-BSBMYWPDSA-N	245.410	4.504	0	10	BJAE	
CCCC(CCC)[C@@H](N)C/C=C/c1ccccc1	2219086361	DAXJGYNNTFVHNY-YJJOXIQCSA-N	245.410	4.634	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccc(C2CCC2)cc1	2223680832	IOBKFVXBOCCKSI-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H](C)c1ccc(C)cc1	2223968691	MIQZGGGBFZJFHG-DOTOQJQBSA-N	247.426	4.657	0	10	BJAE	
CCC[C@H](C(=O)c1cccc2ccoc12)C(C)C	2224201792	KCKHBVBRKRIOAE-ZDUSSCGKSA-N	244.334	4.688	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2(CN)CCCCC2)C1	2246662183	FPORLSAIIPSMAM-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CCCNCC(C)(C)CC[C@@H]1CCC[C@H](C)C1	2246662566	HAYSPNXVVWWVIU-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@](C)(O)C2CCCC2)C1	2246686049	BVICRTJPMBQDFC-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H](O)CC1CCCCCC1	2247408407	QWHNBCNHMPXFNQ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(O)CCCCCC1(C)C	2247423488	WVLMRHGCALCMEG-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2CCC2(C)C)CC1	2247424329	FDKIEQICKSQUGY-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CC1=CCCCC1	2247453169	AJRWBTSEFCJWHQ-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)CC(=O)c1cc(C)c2sccc2c1	2248574747	CFEOCFCIHZKVGC-JTQLQIEISA-N	246.375	4.829	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](O)[C@H](C)C(C)(C)C	2248856780	WRMYTWSMXFTKJT-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@H](CC)CCC	2250355411	AXMCWQITDOYJSI-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1ccccc1C(C)C	2250367899	BDCXAGDKHDHDEQ-BBRMVZONSA-N	234.383	4.670	0	10	BJAE	
CCC1(CNCC[C@H](C)CCCC(C)C)CC1	2250528305	MNZRIISWPXLXOA-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)C1CC(CC(C)(C)C)C1	2251536116	QUDCWORYUHKLCR-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@H]1CCC[C@@H](C)C1	2252634722	KGBGDNFAWAQXDX-CVEARBPZSA-N	239.447	4.569	0	10	BJAE	
CC[C@@](O)(c1ccc2ccsc2c1)C(C)(C)C	2253075537	IWEDZEQJWGVPIB-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CCC1(CC(=O)C[C@@H]2CCCCC23CC3)CCC1	2253785939	VINGPGIPHLECEZ-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
Cc1cccc2c1N[C@H](CCCC(C)(C)C)CC2	2253852427	GSNMJQFVMKBBDU-OAHLLOKOSA-N	245.410	4.938	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2(N)CC(CC3CC3)C2)C1	2253994406	DVCOCBIDESPTSY-JCAIJIATSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(N)C[C@H]2CCC[C@@H](C2)C1	2254605346	MQLUOXIFXBZQNR-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CCC2(C)C)cc1C	2254962858	SJWOUISUXLZTSV-CQSZACIVSA-N	244.378	4.621	0	10	BJAE	
OC1(CC2=CCCCC2)CC(C2CCCCC2)C1	2255058848	ONJFHFLGOKWPOY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1c(F)cccc1NCC[C@@H]1CCCC12CC2	2255278430	NNOZUBZUZYZIBW-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCCCC1(C)C	2256143897	HXXKEWLBOCEINT-CQSZACIVSA-N	249.373	4.769	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@H](C)c1ccccc1)NC	2259451019	BLHLWDNMCZQGKW-YQQAZPJKSA-N	247.426	4.595	0	10	BJAE	
O=C(CC[C@]12CCCC[C@@H]1CC2)c1ccccc1	2260582433	JSBVPQCAWNLDBV-NVXWUHKLSA-N	242.362	4.620	0	10	BJAE	
C[C@](N)(C[C@@]12CCCC[C@H]1CC2)C1CCCCC1	2260644917	DURSRXRYGXSVOY-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](Nc2cccc(F)c2)C1	2261386965	UUMORXLQVIICDR-AWEZNQCLSA-N	249.373	4.843	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@](C)(CC)C(F)F	2299926261	IVTMAXNBWOYRGF-OCCSQVGLSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)CC[C@@H](CCCC(C)(F)F)NC	2300673884	NVSGJGWSFDJLHP-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC(=CC[C@@H](N)C1CC(C)C1)CCCC(C)C	2300872287	OIFMYNDBDMXZEL-UYSNPLJNSA-N	237.431	4.523	0	10	BJAE	
CC(=CC[C@@H](O)[C@@H](C)C1CC1)CCCC(C)C	2300928160	CCWFQEZNEUJJAV-GOEBONIOSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Oc1cccc2sccc12	2301838970	GIAIUAFJIXXERM-NEPJUHHUSA-N	248.391	4.961	0	10	BJAE	
CC[C@H]1CC[C@@](N)(CCCC2=CCCCC2)C1	2302360145	ZATQJTDZXUPDDE-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
CCCC(CCC)CNCCCC[C@@H]1C[C@@H]1C	2302636416	RXHMVJMTOKEJGF-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)c2csc(C)c2)CC1	2303602515	WJOXGXCWGZUXPI-ZDUSSCGKSA-N	248.391	4.766	0	10	BJAE	
CC(C)CCCCC[C@@](N)(CC1CC1)C1CC1	2303736009	OIMJLBRFPUQYAR-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(O)CCCC2(C)C)C1	2304398680	GMLAXZMTIJJSQV-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC[C@H]1CCC(C)(C)C1	2304417398	CFWDFPYWKHTOIW-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1CC[C@H]1CCC(C)(C)C1	2304420994	SHPSBIPUOJALFS-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)C[C@@H](C)CC(C)(C)C1	2307907289	BSBCYHZVTFECMU-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H]2C[C@H]2C2CCCC2)C1	2311525619	YUYIRZMIQCYTQA-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H]1C[C@H]2CC[C@@H]1C2	2313172612	NXEOFULVQATUPL-UFXMREIHSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCC1)N1CC=CCC12CCCCC2	2313602644	BQPOWCRGFODVNH-OAHLLOKOSA-N	247.426	4.530	0	10	BJAE	
CC(=CCN[C@@H](C)C1CCC(C)(C)CC1)C1CC1	2315267278	XVIQMYKQJWGJPW-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCC[C@@H](NC)c1ccc(C)cc1	2316250315	BVIXYNNFGHDIGJ-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H](CC)c1ccccc1	2316542602	RKRWRMKPTGTLDQ-IRXDYDNUSA-N	245.410	4.515	0	10	BJAE	
CN[C@@H](CC=C(C)CCCC(C)C)[C@H]1CC12CC2	2316551395	JRIJIISZUGSOTO-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316879651	GHUOCNVYKVWQBS-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317113315	MGZGCXHGKJBWMM-FPCVCCKLSA-N	249.442	4.523	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1C[C@@H]2CC[C@H]1C2	2318508352	ZWXBCMMQRKXYST-OWCLPIDISA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CCCC2=CCCCC2)[C@@H](C)C1	2318548513	MRSSAFCXQGGXGG-OFQRWUPVSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1[C@@H](N(C)CCCC2=CCCCC2)CC1(C)C	2319879939	CEXBBTXSWBUTMU-ZBFHGGJFSA-N	249.442	4.633	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC(C)=C(C)C2)CCC[C@H]1C	2320326617	GQOHGBURQGUKDM-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)c2cc(C)oc2C)CC1	2320423362	LURSIEINTBMJES-AWEZNQCLSA-N	246.350	4.606	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)c1cccc(C2CCC2)c1	2320656018	YABVAXONKJYHOT-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CCCC1CC(C(=O)C23CC(CC(C)C)(C2)C3)C1	2321585275	WLMDXLFYOWBRMH-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@H](C)C2CCC2)c1	2327704245	SEHWOGNTQDVLBE-DYVFJYSZSA-N	246.394	4.588	0	10	BJAE	
CC[C@H](NC1CCCCCC1)c1cccs1	20012064	NMANKVPRYGYQAC-ZDUSSCGKSA-N	237.412	4.512	0	10	BJAE	
CCCC(CCC)N[C@@H](C)CCc1ccccc1	20563934	OGNJSLFSWZDPQK-HNNXBMFYSA-N	247.426	4.566	0	10	BJAE	
CCOc1ccccc1N[C@H](CC)C[C@H](C)CC	21513300	CHLUXHCBCMOMIE-ZIAGYGMSSA-N	249.398	4.712	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H](C)c1ccccc1	21521007	OGMDLCZXUHZLCK-OFQRWUPVSA-N	233.399	4.552	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)c1ccco1	21814115	WNTBMSAFSZOMKC-CQSZACIVSA-N	237.387	4.537	0	10	BJAE	
CCCN[C@@H](c1cc(C)ccc1C)[C@H](C)CCC	35581597	XKOYXLXSSQXGQC-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CCCCCCOc1ccc(NCC(C)C)cc1	41579160	SMUUWOHCPBSMAQ-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CC(C)c1ccc(Oc2cccc(Cl)n2)cc1	70154333	KTNTVADYTRUSFL-UHFFFAOYSA-N	247.725	4.651	0	10	BJAE	
Cc1ccc(OCc2cccc3ccccc23)cc1	70236476	MNMXQXCWMUEEHI-UHFFFAOYSA-N	248.325	4.727	0	10	BJAE	
CCN[C@@H](CC(C)C)c1cc(CC)ccc1CC	70535843	FSTVLRZPMYCLDB-KRWDZBQOSA-N	247.426	4.508	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](NCC)C(C)C	71083969	DYBHUPXWLMQRRF-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccc(C(C)(C)C)cc2)C1	80425977	FKPCKXREXARYFA-CZUORRHYSA-N	245.410	4.975	0	10	BJAE	
CCCCCCC(=O)c1cccc(Cl)c1F	82815858	IHZMUPVQEANVFP-UHFFFAOYSA-N	242.721	4.632	0	10	BJAE	
C[C@H]1CC[C@H](Nc2c(Cl)cccc2Cl)C1	83847976	YNGQIQJHLLNKAG-IUCAKERBSA-N	244.165	4.594	0	10	BJAE	
CCCN[C@@H](c1cc(C)c(C)cc1C)[C@H](C)CC	86495543	LAWWUQHXCVPJSK-SJKOYZFVSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cc(C)ccc2F)CC1	86896613	KAOWTYYLLNYLES-ZIAGYGMSSA-N	249.373	4.905	0	10	BJAE	
c1ccc(-c2ccc(NCC3CCC3)cc2)cc1	88133165	RVMZORJAAMDFJA-UHFFFAOYSA-N	237.346	4.566	0	10	BJAE	
Cc1ccc([C@H](CNC(C)(C)C)CC(C)C)cc1	93138385	GJNXUHUSAOKIAB-INIZCTEOSA-N	247.426	4.513	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccccc2C)cc1F	94836613	JDHQQZWTTAWKNV-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)c1ccoc1	94867422	BDBIYSPCBPBVRK-LBPRGKRZSA-N	229.323	4.576	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1cccc2ccccc12	109742162	PIGNYZWEVABIEL-GUYCJALGSA-N	241.378	4.666	0	10	BJAE	
CC[C@H](N[C@@H](C)C1CCCCC1)c1ccccc1	109947005	BXJUYBTWKURVEA-YOEHRIQHSA-N	245.410	4.696	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](CC)CC[C@@H]1NCCC	110462305	XZDUFPQDYZOHSH-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H](NCC1(C)CCCC1)c1ccccc1	111619858	OCRLDSJIPRRGNY-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)(C)C)C1CCC1	131212460	NQYZSACPPCATOS-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CC[C@@H](CC)C2)n1	132243025	UEZQBJZLMKTZFS-QJPTWQEYSA-N	237.412	4.950	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)[C@@H](C)CNCCC	132976910	MAAOUPPFQHSSQA-OWCLPIDISA-N	241.463	4.865	0	10	BJAE	
CCN[C@H](CC(CC)CC)c1sccc1C	133366677	MTZLGHSUSAFBHI-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@@H](O)c1ccccc1C1CCC1	168761243	KTHSZZDQORFQTJ-QGZVFWFLSA-N	246.394	4.958	0	10	BJAE	
CCN[C@@H](C1CCC(CC)CC1)C(C)(C)CC	168763059	YKLNDCLMGPMLRN-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@@H](C)CC[C@@H]1C	221948171	MQXQJYVVECQMGR-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)c1cccc(C)c1	229295888	VWZLSODQVCNHMN-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCc1ccccc1N[C@H](CC)CCC	233284647	PMGXKNVQXZUDPO-CQSZACIVSA-N	219.372	4.630	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)C[C@H]2C)c(C)c1	251152598	JBSUEXFDJKSSNX-XNRPHZJLSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@@H](C)C[C@H]1C	251361536	PIVNBDSAWUCLMF-LVQVYYBASA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCCC(=O)c1sccc1Cl	300966502	ZDARSGMFIJLWLW-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
C[C@H](CCC1CCCCC1)[C@H](O)c1ccccc1	302299402	ZIIXWAHSANKULV-PBHICJAKSA-N	246.394	4.717	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N)[C@@H](CCCC(C)(C)C)C1	305919123	LKGVOHIKORWRGM-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(N[C@H]2/C=C/CCCCC2)cc1Cl	306036563	SLNMGUOPATUETI-IYNGYCSASA-N	249.785	4.949	0	10	BJAE	
CCCC[C@H](C)C(=O)c1c(C)c(C)cc(C)c1C	306070255	ZYAVRNQGPXCBIZ-NSHDSACASA-N	246.394	4.929	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC(C)(C)C2=CCCC2)CC1	308757997	QUCROLRZCROQIG-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1CC[C@@H](C)C[C@@H]1C	310264519	DWLWEHWKLJKZOH-QPSCCSFWSA-N	239.447	4.616	0	10	BJAE	
C[C@H](CC(=O)c1ccsc1Cl)C(C)(C)C	312571106	JDIOFMWDUSKHSB-MRVPVSSYSA-N	244.787	4.657	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC12CCCCC2)C(C)C	313111316	MEGQRDKYVLTWQR-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](C1CCCCCCC1)[C@@H](C)C(C)C	318983738	FOTHHFUBIOKQQB-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1N[C@H]1CCCC12CCCC2	328125457	SZKKCLCWBQGNPH-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
C/C(=C\C1CCC(C)(C)CC1)C[C@H]1CCCCN1	380998291	HDALBKOALSGXRT-WCRPCQDQSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@]1(O)CCCCCC(C)C	383133502	DHHYNFMDGNDTSL-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1snc2ccccc12	384663048	OXLFTVJTMFOLSM-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
C/C(=C/CCNC1CC1)CC1CCC(C)(C)CC1	385236406	JQBHWQIIERZYJN-RZNTYIFUSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@@H]2CC23CCCC3)C1	386883581	IWGVBHLGCPAWPU-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(Cl)c(N[C@@H]2CC[C@@H]2C)cc1Cl	389656803	ZEYYPDALXHWKFG-WRWORJQWSA-N	244.165	4.512	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)[C@@H]1CC1(C)C	394061997	ANSXUABQKCYJMF-HOTGVXAUSA-N	245.410	4.507	0	10	BJAE	
CC1(C)C(N[C@H]2CCCCC23CCCC3)C1(C)C	394109308	HIJYNNSPCNNXGS-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(C[C@@H]2NC[C@H]2C2CCCCC2)CC1	394567632	JTCNBFDGSLFGNV-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](O)CC2CCCCC2)CCCCCC1	394582732	DQYNXWBEPOZHBY-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC1(CNCC(C)(C)C(C)(C)C)CCCCC1	394593692	JJVAWQQCFKDKOK-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C(C)C)C1CCC1	395126676	OOOBRLWJTCCNSF-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC(/C=C(\c1ccccc1)[N+](=O)[O-])(CC)CC	395170900	LPXDBOGDCFMPAM-WYMLVPIESA-N	247.338	4.521	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC12CCCCC2	395667119	JOPFOCHIZBEVTN-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCOc1ccc2sc(Cl)c(CC)c2c1	396186962	HNBSLKUTXGLJQS-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1csc2c(C(F)F)cc(S)cc12	396232142	BQJXLDDCMFHUCH-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
COc1c(C(F)F)sc2c(Cl)cccc12	396291887	NUKDQNXTFRHMEJ-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)CCC2CC2)cc1C	398033976	LTGLXZWIZFYLAH-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
C[C@@H](CC(=O)C[C@H](C)CC(C)(C)C)C1CCC1	398865087	XHORFHMLNQZGBQ-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CCC1CCC1)NC	398940329	VVMAPKMORNZQLJ-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)CC2=CCCC2)CC1	400467228	ORBUPZUWLJDOST-UYSNPLJNSA-N	249.442	4.667	0	10	BJAE	
CCCC(O)(CCC)CCC(C)(C)C1CC1	405967051	SBKDZLUKKGCSGS-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CC1(C)CCCC1	691185882	LYDFVQCPVUYAKU-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@@]12CCC[C@H]1C2	693150672	PYEZHGLZZFWGGR-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CCC12CCCC2	694472504	IYGKFWQJAVBQNL-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccc(C)cc1F	696673521	QQFVTADKYUCJMP-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)CCC2CCC2)C1(C)C	698988111	MBYDTWDKGRCMLF-MLGOLLRUSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1C[C@H]1C(C)(C)C	699848236	JGOAGPVPSJPUCB-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@H]1CCCC[C@@H]1C)C(C)(CC)CC	701148492	PFTOOFJWDCEFHJ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC=C(C)C)NCC	704906565	JAAFAZLMAYJJHQ-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC[C@]2(C)C[C@H]2C)cc1	707708815	FWDPEJGIDTWJTD-KEYYUXOJSA-N	245.410	4.507	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H]3CCC[C@H]32)c1Cl	707858704	JXYHUUGXRHECAJ-YNEHKIRRSA-N	249.785	4.639	0	10	BJAE	
C[C@H](NCC1CCCCCC1)[C@@]12CCCC[C@@H]1C2	709245905	MMGNQGMGBDMGLS-UAGQMJEPSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCc1cc(C)c(C)cc1C	710027306	UTSBPLPTNAYOHT-OAHLLOKOSA-N	247.426	4.526	0	10	BJAE	
C[C@@H](C[C@@H](O)C1CCC(C)(C)CC1)C(C)(C)C	710743127	VHPAICBRDXUEQJ-GXTWGEPZSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C[C@@H](O)c1cc(C)cc(C)c1)C(C)(C)C	711085736	FMSIFIWOMZDHOZ-JKSUJKDBSA-N	248.410	4.799	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H](C)CC1CCCC1	712526065	XJLFMXMPCGYUOC-OFQRWUPVSA-N	239.447	4.760	0	10	BJAE	
C=C/C=C\CCCC[C@H](NCCC)C(C)(C)C	713724312	BSTDGGADRNCWPC-CDNLZTBQSA-N	237.431	4.703	0	10	BJAE	
CN[C@H](C1CCCCCCC1)C1CC2(CCC2)C1	717542054	AGBMGKMABHTJAC-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)C1(C)CCC1	720742497	KNZZXWDWCCGDMR-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@H](C)C1CCCCC1	721698409	FFPBYPIIGHEGRT-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(-c2c(C)sc(C)c2C)c(C)cc1N	722497609	AZIYUVHMUAEBLZ-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCCCC[C@@H](CC1CC(C)(C)C1)NCC	723568256	NYBZFKHSKJRQDX-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(O)cc(-c2cccc3ccsc23)c1	1206233960	FKSBXHFRLSDJPT-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1C[C@H]1C1CCCCC1	1910674075	KRXHOCUAQKNGRU-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
CC(=CCCNC(C)C)c1ccccc1C(C)C	1911534603	VJKMTHOLGBAVDN-UHFFFAOYSA-N	245.410	4.601	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@H](C)CC[C@H]1CNC(C)C	1911842300	LKOOGKDXBZKQOX-ZACQAIPSSA-N	249.442	4.559	0	10	BJAE	
C=CC=CCCC1(CNCC)CCCCCCC1	1911985595	KNHHAWCBXUEKGB-UHFFFAOYSA-N	249.442	4.849	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C1CC2(CCCC2)C1	1912613211	DTDKLRJOHCYIDD-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCCCCCC[C@@H]1O	1913406205	XPPVPSLAHLGGLP-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H]1CCCCCCCCC1=O	1913409535	DGCWCVAHZATDLC-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)N[C@@H]1CCC2(CCCCC2)C1	1915853736	BUAWPDRZRFOEIU-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
N[C@@]1(CCC2CCCC2)CCC2(CCCCC2)C1	1915894314	VBOINGPOLAINEX-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(N)CCC2(CCCC2)C1	1916409223	FRNFZCMEYNVFBX-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC1CC(CN[C@H](CC)c2ccccc2)C1	1921231498	NOSNDEOIWGDPEH-VMBOVVBDSA-N	245.410	4.554	0	10	BJAE	
Fc1c(Cl)ccc(C[C@@H]2C=CCCC2)c1F	1923234762	CGXDHBCCUPBTAJ-SECBINFHSA-N	242.696	4.517	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NC1C[C@H]2CCC[C@H](C1)C2	1923468519	HPSUEYDIQMMTKB-JKQORVJESA-N	249.442	4.514	0	10	BJAE	
CCCCCCC(=O)[C@@H](C)C1CCCCC1	1924086591	NRKXELOQWRTUJT-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCCCC2)CCC[C@H]1C	1925798560	MPAAPBOGJMFWLY-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc(CC)c(C(=O)CC(CC)CC)c1	1926205887	WVEBYHLWKPYHFF-UHFFFAOYSA-N	246.394	4.820	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1csc(Cl)c1	1933555947	BRNKKQCPQHJVBC-VIFPVBQESA-N	244.787	4.801	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)[C@H](C)CCC(C)C	1937172883	DQWBZXAYAHSUEJ-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)[C@@H](C)C(C)C	1940863609	MTUJAIHCWISQAJ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H]([C@H](C)CCC(C)C)C1(C)CCCCC1	1942664173	WOFMBSHNDZJIHA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CNc1ccc(C2(C)CC2)cc1	1944597660	CMXYXBRSPXNCTD-ZDUSSCGKSA-N	231.383	4.586	0	10	BJAE	
CC(C)(C)CCCC1(N)C[C@@H]2CCCC[C@H]2C1	1946292357	IEMGIJAQVIRRDF-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCC[C@H]1C(C)C	1947526944	TYPXRWSRFJBTQC-VGWMRTNUSA-N	239.447	4.616	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)C[C@@H]1C=CCCC1	1947584551	ALASIENYFVKNNG-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)CCN[C@H]1CCCCC12CCC2	1947879280	BLBVBKBKXJCHGW-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)C1=CCCCCCC1	1948331341	GFSYWHZFRNCURY-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@@H](NCC)C1CC(C)(CC)C1	1948408108	YLEWVNBTGFRFKC-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
CCC1(C)CC(C(=O)CCC2=CCCCC2)C1	1948412224	DJKQIQDTBAUIAR-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
Cc1cscc1N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1	1948586143	LYGQMGMTUUVBKH-NFAWXSAZSA-N	249.423	4.827	0	10	BJAE	
CCC1(C[C@]2(N)CCC[C@@H](C(C)C)C2)CCC1	1948980994	IBQMNTCDUYQNAA-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC1(N)CCCCCCCCC1	1949029047	FKRUJYDIFKIVGD-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCCC1([C@@H](N)c2ccc(C3CC3)s2)CCC1	1949050687	HCEVYBPKMJNHOZ-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC[C@@H]1CC)C(C)(C)C	1949825440	MIWOYULFWOAGES-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)CC2CCCCC2)C1	1949915412	HRSHKCHVIFNBCP-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCCC1CC(NC[C@@H](CC)CCCC)C1	1968237453	JZGUJKVIXLQALK-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CSc1cccc(N[C@@H]2CC[C@@H]2CC(C)C)c1	1968261764	AGQXBZJVKLFPIJ-IUODEOHRSA-N	249.423	4.645	0	10	BJAE	
CCc1cccc(OCC2CCC3(CC2)CC3)c1	1968358537	LGZKLBAHGGPMJY-UHFFFAOYSA-N	244.378	4.598	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCCC3(CCC3)C2)C1	1972936384	JIIAGMDXWBVNGI-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CCCC(C)(C)C(=O)[C@@H]1CCC[C@@H](CC)C1	1976008416	MGKHNZOTJXHBRY-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCC1(N)CCCCCCCC1	1980335892	DYMASSURSGRZPO-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CC(C)CCC[C@@H]1CCCCCCC[C@H]1N	1980353024	WYODZUSBLGODIQ-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](Nc1cccc(Cl)c1)[C@@H]1CCC1(C)C	1987991919	CBKWVUDHBUSELP-MFKMUULPSA-N	237.774	4.577	0	10	BJAE	
CCC[C@@](N)(CC)CCC(C(C)C)C(C)C	1988265496	YUNNWMBCWYRWCF-HNNXBMFYSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C(C)(CC)CC	1989663317	CZZHYRHKGGNJLS-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CCCC(=O)C(C)C)CC1	1989840076	VNDZMCKXBGXLAM-HDJSIYSDSA-N	224.388	4.598	0	10	BJAE	
CCCCCC(=O)C[C@H]1CCCC(C)(C)C1	1994026013	MFKOGHAIYUPPHQ-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC=C(C)C)NC	1995259118	KGRJFWUSUCJSGE-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CC[C@](O)(CCC(C)=C(C)C)C1CCCCC1	1996546210	HSMNOWYPPRCUHW-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC(C)=C(C)CCNC[C@@H]1CCC[C@@H](C)CC1	1997211748	QBLGBZGWAIFANQ-GDBMZVCRSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@H]1CC(C)C	1998753878	YUAMCCCKVDOYHQ-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCCC1([C@@H](O)[C@H]2CCCC(C)(C)C2)CCC1	2000023807	KFLDUZGGVAGSEA-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CC(C)(C)C(C)C	2000294345	RQIHVGPCAFIRRR-HIFRSBDPSA-N	236.399	4.620	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@@H](C)CC(C)C	2000506149	YQEPQDXSDRFEOQ-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCCCN(C[C@H](C)CC(C)(C)C)[C@@H](C)CC	2000900704	QBNXZHJHNQIQBF-CABCVRRESA-N	241.463	4.959	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C1(C2CCC2)CC1	2004535929	VGZFFUABRLBTDX-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@@H]1CCC[C@@H]1C	2006760472	WQJRXDGBUKSREG-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCC2(CCC2)NC1	2008286072	HRVLWVSPQBUCPC-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccccc1-c1csc([C@@H](C)N)c1	2008404353	DBOKFSQGEQCHTQ-LLVKDONJSA-N	245.391	4.558	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@@H]1CC(C)(C)CC	2009420027	MNUWUJNLNYMOGZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@]1(C)CC1(C)C	2009598549	PBIOJXBJUCICES-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010718534	BDATYEYRFCJKAW-NWANDNLSSA-N	237.431	4.523	0	10	BJAE	
CCCNC[C@](CC)(CCC1CCC1)C(C)C	2012409769	GSPYNAGSAQNTHA-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)C(=O)CC12CCC(CC1)CC2	2012796967	MDJFXPRHNGNLFV-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(O)C1(C)CCCC1	2014323645	CITVPBIKDJHMNQ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](C[C@@H](C)C(C)C)NCC	2015290267	IPUGAJFCRVZMAR-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CN[C@@H](CCCC(C(C)C)C(C)C)CC(C)C	2015355800	CBPJJRSQDQXRRD-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)CCC(C(C)C)C(C)C	2015360791	LXAOLQGLJQQENP-HUUCEWRRSA-N	241.463	4.717	0	10	BJAE	
CC(C)C(CCOc1ccccc1F)C(C)C	2015389707	ZFTIAGUSIJRODP-UHFFFAOYSA-N	238.346	4.523	0	10	BJAE	
CCCC1(C[C@@H](N)CC[C@@H]2CC2(C)C)CCC1	2015640172	PFRAALPYBXEHMJ-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C=C(C)c2ccc(N)cc2)CCC1	2015643727	FWQQXVUJLNRQDF-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
CC1(CNC2(C(C)(C)C)CCC2)CCCCC1	2017092953	BWUPSNAQHNOCKK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)CC1(C(C)(C)C)CCC1	2017121023	KCAHTDCENDYDCX-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCC1(C(C)C)CCC1)CC(C)C	2017145144	HADYAONNJSTSOA-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(N)[C@@H](C)CC)CC1	2017727747	CWMPPXRJKIWKNT-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@@H](C)N(CC(C)C)C1CCCC1	2019406393	GVAQFGOIZQTRHT-OAHLLOKOSA-N	239.447	4.712	0	10	BJAE	
Cc1cc(N[C@H]2C=CCCCC2)c(C)cc1Cl	2019511178	VJGUNQRJUGIGOE-ZDUSSCGKSA-N	249.785	4.868	0	10	BJAE	
CC1(C)CC[C@@H]1Nc1ccccc1C1CCC1	2021026794	FRANSDSJSLRTHO-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1cccc2ccsc12	2022412976	UXYRYQORFUILPM-YPMHNXCESA-N	244.359	4.520	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H]1CCC[C@H](CC)C1	2022560455	OPYPPSMFUGFLJZ-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](C)(CCCCC(C)(F)F)CNCC	2023286876	BQNRCXJMNPYGGV-ZDUSSCGKSA-N	249.389	4.618	0	10	BJAE	
c1sc([C@@H]2CC[C@@H]3C[C@H]32)nc1C1CCCCC1	2026605093	MAUUAGDVFVDYER-JHJVBQTASA-N	247.407	4.704	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)CC1=CCCCC1	2027822949	UARODYHBNMHIHW-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCc1ccccc1[C@H](O)CCC(C)(C)CC	2027895749	BGPAOXXRWVUYQV-MRXNPFEDSA-N	248.410	4.889	0	10	BJAE	
C[C@H](CCCCCC1CC1)[C@@H](O)c1ccccc1	2028626941	YMLFRNLRNGHPLO-RHSMWYFYSA-N	246.394	4.717	0	10	BJAE	
C1CCCC(NCC2(C3CCCC3)CC2)CCC1	2029737367	CYPRZFVGUIOVCX-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C)c1ccccc1OC1[C@H]2CCCC[C@H]12	2033481025	YXSXMSRXKSNHPC-STQMWFEESA-N	244.378	4.552	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(N)C[C@@H]3CCCC[C@@H]3C2)C1	2034158684	KGMLAQRPRYRKQS-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC[C@@H]2C=CCCC2)CC1	2035559364	GCXVNFUNOIFGGR-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C1CCCC1)[C@@H]1CCC2(CCCC2)C1	2037589558	GBICYSFVQPOFKI-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCNCC(=C[C@H]1CC[C@@H](C)C1)C1CCCCC1	2040168388	GWQCCIBCKKCTKS-CABCVRRESA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@]1(C)CC=CCC1	2042030989	PZXTWOZEJMPFFK-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1CC([C@@H](C)N[C@H]2CCCC23CCCCC3)C1	2043540870	OINFEZYRSVUDKA-KNIAUWFNSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@@H]1NC1CC2(CCC(C)(C)CC2)C1	2043686455	LVXVPHSQAQELKT-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CN(C1CCCCCC1)C1CC2(CCCCC2)C1	2046326078	BDVYGWDLYUWJIY-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
CCc1ccc(N(C)CCCCCC2CC2)cc1	2046570316	GMUBQKFNYIDONS-UHFFFAOYSA-N	245.410	4.656	0	10	BJAE	
Cc1ccc2c(ccn2C[C@H]2CC23CCCC3)c1	2047061086	CCLQXKUVYNOADW-OAHLLOKOSA-N	239.362	4.530	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@H]1CCC12CCC2	2047936912	UEUXUFLFELAKRJ-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C1[C@H]2CCCCC[C@H]12	2048527983	QOASAQNNJJVILN-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](C)NC2CCCCCCCC2)o1	2049671549	FEVDRUSGXRTEOR-CQSZACIVSA-N	249.398	4.742	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)[C@H]1CC[C@H](C)CC1	2049681037	KAHHAKRRQTVKEB-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1C[C@H]1CCCC2(CC2)C1	2049852484	BXVYXLGSFRLGQJ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)C[C@H]1CCCC2(CC2)C1	2049929538	NQYXVSNIOMCUMN-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2CCC3(CC3)C2)CC1	2049955249	SSAJSTIPMAWNKZ-SHARSMKWSA-N	248.410	4.742	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@H]1CC[C@H](C)[C@@H](C)C1	2050449872	KSAZZPIMCGJWPS-AEGPPILISA-N	244.378	4.640	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2051400157	IVZXCZWMSMLFRD-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CCCC[C@@H]2F)c1	2055144681	FLNNWTIUXKADRS-LSDHHAIUSA-N	249.373	4.504	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C[C@H]2C=CCCCC2)[C@H]1C	2055615386	LNMCYXYVUFYAQE-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)C1CCC(N[C@H]2C=C(C)CC2)CC1	2055843532	AIVWPWSFGHJYER-UYSNPLJNSA-N	249.442	4.680	0	10	BJAE	
CCCC1(CNCC2(C3CC3)CCCC2)CCC1	2057647588	DCUDXXFJINRKHL-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCc1cc(SC)cc(Cl)c1C(F)F	2060059663	MJEMVOURLKMXPB-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
C=C=CCC[C@H]1CCC(C)(C)CC[C@H]1NCCC	2061563802	SLGNMGJRKJQLBE-JKSUJKDBSA-N	249.442	4.692	0	10	BJAE	
O=C(CCC1CCCCC1)CC[C@]12CCC[C@@H]1C2	2061607340	QGRXDSAPHBQJGD-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CC1(C)C(C(=O)CC2CC(=C3CCC3)C2)C1(C)C	2061700915	ZTLUIFPYEJWTGK-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
C1CC(=C2CC(CCC3C[C@@H]4CC[C@H](C3)O4)C2)C1	2061719941	FHJWUUZGLKZACU-FUCXHRTASA-N	246.394	4.615	0	10	BJAE	
CC[C@](C)(CNCC(C)C)CC1CC(=C2CC2)C1	2061740411	YOJIJDDNKXTETL-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1N[C@H]1CCCCCC12CC2	2062016369	GKTIXXBMXAWYGX-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@@H]2CCCCCC23CC3)C1	2062018250	RBNZKXSPWHZKRX-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063534964	DRBXAFUAJXDFAE-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](Nc1cccc(C2CC2)c1)C1CC2(CC2)C1	2064488407	IBUBJKDSJFIFIO-GFCCVEGCSA-N	241.378	4.555	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](NC2CCC3(CCC3)CC2)C1	2066633871	YDWBPZMQEZNHML-CTYIDZIISA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)C)c1ccc(C2CC2)cc1	2068816232	GWGFMMXFQRLBIO-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)c1cc(C)c(C)o1	2068908859	FWJMKBQSJFWTAJ-HNNXBMFYSA-N	249.398	4.684	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(C[C@@H]2CC23CCC3)C1	2069172960	DJADVVIJWDTHKG-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@H]2CC23CCCCC3)CC1	2069519215	JNSZEHVSKKANTI-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC(=CC1(C(C)(C)C)CCC1)C1CCC(N)CC1	2071949705	LCBWBEIGHYHKPK-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)C[C@@]23CCC[C@H]2C3)CC1	2072797254	XSLUNTYXHWFGRU-WOYTXXSLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC2(N)CC3(CCCCC3)C2)CC1	2072797281	XXBDVIUECMNHKN-SHTZXODSSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CC1CC(=C2CCC2)C1	2072887590	BZYGMGLQNUVBFG-ZDUSSCGKSA-N	249.442	4.633	0	10	BJAE	
CCC1(C[C@@H](N)c2ccccc2C(C)(C)C)CC1	2074566056	GUMFRKNWENBPHZ-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC[C@H]2C2CCCC2)C1	2074892516	NVFBTPTXVBSMRM-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CC1(c2ccc(N[C@H]3C=CCCCC3)cc2)CC1	2075363130	PJGMDGSDORIGEV-HNNXBMFYSA-N	241.378	4.649	0	10	BJAE	
CC1(C)C[C@H]1CCCNc1ccccc1C1CC1	2077263227	NYUXUUGZPQOBQU-CQSZACIVSA-N	243.394	4.802	0	10	BJAE	
CC(C)=C(C)CCNC[C@@H]1C[C@@H]1C1CCCCC1	2079460956	IMMNDUDEIXPFEZ-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C[C@@H]2C2CCCCC2)C1	2079531170	QLZDTYYQJOZXGO-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(=O)CC[C@H]2C[C@@H]2C(C)(C)C)cc1	2079851453	LGRAGSNOPGXCSQ-GJZGRUSLSA-N	244.378	4.640	0	10	BJAE	
CC1(C)CC(C=C[C@]2(C)CCCN2)CC(C)(C)C1	2082972075	FTUMTFNBICUIPJ-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H]1CCCNC12CCCCC2	2083808882	KEUFFYRIKBGFSK-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](C)(O)c1scc(C)c1C	2210556030	PVVZJIWRPUUWEH-AWEZNQCLSA-N	240.412	4.543	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)C[Si](C)(C)C	2212586119	HNGHZCDSEWAVCA-ZIAGYGMSSA-N	243.511	4.519	0	10	BJAE	
CC1(C)CCC[C@]1(N)CCCCCCC1CC1	2213576104	MLUOHQFVTGYCJF-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)C(C)(C)CCC	2216285446	LTCSJLNWLPPUHH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](N)CC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216764064	QONRHDRNOPQCBX-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CCC(C)(C)C)C=CCC1	2217129151	JRMNFXXHRXUQEQ-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@H]2CC[C@@H]2C)cc1	2220579096	FOWHHJODCPQWPS-PYTWLRIVSA-N	245.410	4.507	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1ccccc1C1(C)CC1	2220927368	XLZRGHASOKPMSD-UONOGXRCSA-N	243.394	4.586	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2220961861	OTIRYHHFJMMBJP-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@H](NC)C2(C)CC3(CCC3)C2)CCC1	2221004782	RCMNGCQCPODHRL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CN(C[C@]1(C)CC=CCC1)[C@H]1CCCC(C)(C)C1	2221597005	HFJODSXALODRFE-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
CC1=CC[C@](C)(CN(C)CCCC2CCC2)CC1	2221605124	PRQUQABALZMYJC-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CC(C)c1nccn1CCCCCCCC1CC1	2223169739	RVCJWAKOXGCYSF-UHFFFAOYSA-N	248.414	4.757	0	10	BJAE	
CCC(CC)CCNc1ccc(F)c(C)c1F	2246376655	XQYTVIJRYGOSNH-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC1(C)CC(C)C1	2246457101	NCSZPYOEMWQNSU-LVDPKSTMSA-N	240.431	4.636	0	10	BJAE	
CCCN(CCCCC[C@H]1C[C@H]1C)CC(C)C	2248845480	QCCCOXQABUOIHO-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CCCCC[C@@H]1C[C@H]1C	2248868418	BCVKURBKGJSGPV-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](O)(CC2CCCC2)C1	2251678494	MJOJLGPMCGLHGL-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@H]1CC1=CCCCC1	2255092426	UIZPALWWPZIRJI-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
O[C@@H](C[C@H]1CCCC12CC2)C1=CCCCCCC1	2255336158	DFLSIXWIZDVPMV-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@]23CCCC[C@@H]2CC3)C1	2260536159	DGTZXRCDCMNFTR-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)CCCCC1	2260658135	NCFWCIFOZZEWEO-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCC[C@@H]1C[C@@H]1C)NCC	2298645907	CLWZLJVPZAMXLE-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@@H]1CNc1cc(C(C)C)ccc1C	2300455303	FOQPTIJOYPOFLL-DZGCQCFKSA-N	231.383	4.576	0	10	BJAE	
CCC(CC)CCC[C@@H](N)c1ccc(C)cc1	2300683789	NFOJJHAWYVGLKG-MRXNPFEDSA-N	233.399	4.601	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)C[C@@H]1C[C@H]1C	2300702906	ZEGABERNVXWITF-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](O)CC=C(C)CCCC(C)C	2300866528	AAFBAXDCKGFQGB-JKSUJKDBSA-N	240.431	4.946	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C(CC)(CC)CC	2300876916	LNKUHURUWHVMPY-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CCC(C)=CC[C@]1(O)CCC[C@@H](C(C)(C)C)C1	2300880767	MPSJUXAYZMIDNB-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCC[C@H](CC)CC1	2300907557	UMJWJETXRNGTOY-LSDHHAIUSA-N	236.399	4.908	0	10	BJAE	
Cc1csc(C)c1-c1ccnc2ccccc12	2301460276	SMRWIEAAIKCMDR-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
O[C@@H](CCCC1CCC1)CCC1=CCCCC1	2301935241	LESSAZCEOTWRPC-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)CN(CC)CCCC1=CCCCC1	2302351031	CSSTUHIPPYLJIE-OAHLLOKOSA-N	237.431	4.635	0	10	BJAE	
S=c1cc(C2CCCCC2)[nH]c2ccccc12	2304030828	QSOLJOFIIJIJGY-UHFFFAOYSA-N	243.375	4.945	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CCC(C)C)C1CC1	2307844550	OCFHIMAPKQHTEX-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H]1CC[C@@H]2C[C@@H]2C1	2309168107	PKZFEDBZXWXNPG-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1CC[C@@]2(C)C[C@@H]12	2310549210	DMYRFSYFEXIIMC-QRTARXTBSA-N	243.394	4.585	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@@]23CCCC[C@@H]2CC3)C[C@H]1C	2313353341	MJFLUKYRNUQABU-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@]1(C)NC(CC1CC1)CC1CC1	2313606924	XTXGMSRQLFAYGG-GUYCJALGSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC[C@H](N)C1C2(CCC2)C12CCC2	2316241559	VMVWCGZTSYYCCK-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1OC[C@@H]1C[C@H]2CCC[C@H]1CC2	2316887453	YFUXRXLDJMAGKJ-JYJNAYRXSA-N	244.378	4.590	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCCC1	2316945571	NZNJRFQTDVFBIG-NXNVCVFFSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc2oc(C(=O)[C@@H](C)C(C)C)c(C)c2c1	2317940735	KSNGRGKUEFUVAZ-NSHDSACASA-N	244.334	4.524	0	10	BJAE	
O=C(CCC1=CCCCC1)CC1C[C@@H]2CC[C@H]2C1	2317946149	BQCATMUFXTYOEP-HOTGVXAUSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1[C@@H](N[C@@H]2CCCC3(CCCC3)C2)CC1(C)C	2318185910	MCQTWEUWKFRGOT-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@H]1CCCC2(CC2)C1	2318938322	IVGIKZGZVDQFJK-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCCC[C@H]3C[C@H]32)CC1	2319335984	BRDICFWFUBRINB-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2CCCC[C@@H]3C[C@H]23)c1	2319454612	RWTAPIDAFDXLDI-KMFMINBZSA-N	241.378	4.555	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC[C@@H](C)[C@H](C)C2)CC1	2320327238	LBGYNKGQDUNGKS-DZUCGIPZSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CC[C@@H]2CC(C)(C)C)CC1	2320346446	FKARUMWKUHTGDB-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CC(C)c1cccc(CCC[C@H](O)C(C)(C)C)c1	2320664189	XXTHWBVDKXYWOF-INIZCTEOSA-N	248.410	4.540	0	10	BJAE	
CCc1cc(F)cc(N[C@H](C)[C@H]2CCC2(C)C)c1	2321089769	RQCVBZGWOHKBFE-IAQYHMDHSA-N	249.373	4.625	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CNC)c1ccc(C)cc1	2328195505	DVZCROBRWZLRQU-WBVHZDCISA-N	247.426	4.514	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)c1ccc(C)cc1C	2328207777	WQUJHMOVLSKAED-RDJZCZTQSA-N	248.410	4.727	0	10	BJAE	
Cc1cc(C)c2cc(C3CCCCC3)[nH]c2c1	1517667	FWEAMOPNEZSJLL-UHFFFAOYSA-N	227.351	4.832	0	10	BJAE	
CC(C)CCCCCCNC1CCCCCC1	19994333	BVBZHBGQJPXLEI-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cc(C)cc(C)c1	20000329	RURJVQQXBVWZQD-IUODEOHRSA-N	233.399	4.930	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)c1ccccc1	20358692	JOIDDIOTZMVSHC-GJZGRUSLSA-N	233.399	4.696	0	10	BJAE	
CC[C@H](Nc1ccccc1C(C)C)C(C)C	37198075	TUPHZFIZDDMMJO-AWEZNQCLSA-N	219.372	4.657	0	10	BJAE	
Clc1ccc([C@@H]2Oc3ccccc3S2)cc1	38886020	BRBPVSZCGBNCMR-CYBMUJFWSA-N	248.734	4.523	0	10	BJAE	
CC[C@H](N[C@H](CC)c1ccco1)c1cccs1	54106472	GWFMWAVDTDYILT-NEPJUHHUSA-N	249.379	4.533	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)CCc1ccccc1	69371121	WJAZFWSVGUNEQR-RDJZCZTQSA-N	247.426	4.566	0	10	BJAE	
Cc1c(Cl)cccc1[C@@H](C)c1ccccc1	75841820	NCKLRZFZIYGBFA-NSHDSACASA-N	230.738	4.800	0	10	BJAE	
Cc1cc([C@H](C)N[C@@H]2CCCC(C)(C)C2)c(C)o1	79978930	PNPCIDGYFCWSLJ-GXTWGEPZSA-N	249.398	4.516	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NC[C@H](C)C(C)C)cc1	81044570	XHQARQAQSCWTBP-LSDHHAIUSA-N	247.426	4.753	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2CCC(C)(C)CC2)CC1	86890223	SNYSKIYWLWHPSO-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1CCCCCC1	87946985	ABYNSDLKLOLNLR-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCC[C@@H](C)CC2)c1	91510227	GPKRAXFJALJFJX-RISCZKNCSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](NC(C)C)C1C[C@@H](C)C[C@H](C)C1	93074152	MQWKATHQHRNQHR-DZKIICNBSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](c1ccc(C)o1)C1CCCCCC1	110226826	PQAGRPZGEVIKJG-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](CC)c1ccc(C)cc1	111664440	JQTSYAZTPSHUKL-PBHICJAKSA-N	247.426	4.860	0	10	BJAE	
CC(C)(C)c1ccccc1CNc1ccccc1	132675384	OJSMUNWJCOZYIF-UHFFFAOYSA-N	239.362	4.596	0	10	BJAE	
Cc1ccc(-c2nc(C)c(CC(C)C)s2)cc1	142273217	NHZHUFZEHMUYAW-UHFFFAOYSA-N	245.391	4.625	0	10	BJAE	
CC(C)c1cccc(-c2ccsc2)c1	144151851	QPJCRSLTGMPIKV-UHFFFAOYSA-N	202.322	4.539	0	10	BJAE	
Cc1oc2ccccc2c1[C@H](O)CCCC(C)C	165664420	SKWLPRFAVCGCRH-CQSZACIVSA-N	246.350	4.601	0	10	BJAE	
CCCN[C@H](CCC)CCCCCC(C)C	166177306	BHKZEOYPOGQBTM-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1C(C)(C)C1(C)C	167134662	NXFUCMIWTXDZCF-QWHCGFSZSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)c1c(C)ccc2ccccc12	167655361	IGKKTCSPQRJRBU-MLGOLLRUSA-N	242.362	4.618	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	168404028	QCIACDIYOZDHSC-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@H]([C@@H](CCC)NCC)CC1	212774178	QBAQXVPITODUAQ-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C[C@@H](C)CC[C@@H]1C	221773238	CVAKCHBNBUTKJR-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1(CO)CCCC1	225338272	YLBSGOYTMPYRCG-OAHLLOKOSA-N	240.431	4.782	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@H](C)C(C)(C)C	229154014	YIBYAMCXEXSCTR-ZFWWWQNUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1ccccc1C(C)(C)C	229270439	LCCYPGUPVQAUAB-XJKSGUPXSA-N	248.410	4.844	0	10	BJAE	
CC(C)Cc1c[nH]c2ccc(C(C)(C)C)cc12	232657632	WVKPDOFVJGQOOW-UHFFFAOYSA-N	229.367	4.664	0	10	BJAE	
CCCN[C@H](c1ccccc1CC)[C@@H](C)CCC	233132244	JCZZLFBYWWDHNR-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](C)[C@H](NC)C1(CC(C)C)CCCC1	233349269	YRYWBFBDVZJVQF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C1(C)CCCCC1	233540326	SDUOXNMBGRDQRX-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@@H](C)C[C@H]1C	249719484	CQCUVIYWTQSFNJ-IIAWOOMASA-N	245.410	4.876	0	10	BJAE	
CCCCCC[C@H](C)NCCCC(C)(C)C	300788615	CAUSWJSQNRNMRG-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](C[C@H](C)CC(C)C)NC(C)C	300870351	HNGRIXCHOBLTAX-CABCVRRESA-N	227.436	4.616	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CCCC(C)(C)C1	300940231	WBECNKQCHKYYRV-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC1CCC(C(=O)[C@H](C)CC(C)C)CC1	304362553	DVRNAMLWZUPNHY-WLYUNCDWSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1coc2ccccc12	305900799	AQLRMBBLNZRGPV-WFASDCNBSA-N	246.350	4.539	0	10	BJAE	
c1cc2cc(N[C@@H]3CCC[C@H]4C[C@@H]43)ccc2s1	306119417	YURMHGHGKFJEON-LEWSCRJBSA-N	243.375	4.502	0	10	BJAE	
CCc1cc(SC)c2c(Cl)csc2c1	306617227	QWPJIPWIHVQLCJ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1ccc2c(Cl)csc2c1SC	307428162	SCCWODREOCGLIE-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCc1[nH]c2ccc(C(C)C)cc2c1CC	307983673	JQVJSKUOBFYRMP-UHFFFAOYSA-N	229.367	4.806	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CCC1CCCCC1	308108039	XALUJDSKXAYTCN-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@H](C)CC(C)C	309988836	FCNXKDFFKOGIOE-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](O)CC2CCCCC2)C1	310387736	ICRQESQRIGJQGW-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(O)C[C@H](C)C1CCCCC1	310561500	JXQSPZLTNDEFQS-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC1(CNC(C)C)CCC(C)CC1	317303189	AOIBXXZJJJJROT-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCNCC1(CCC)CCC(C(C)C)CC1	318835406	XSECYKQCHAECIN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cccc2ccccc12	319965945	DJUOEGLTXKAJCL-QWHCGFSZSA-N	240.346	4.705	0	10	BJAE	
C[C@@H](CC(=O)C(C)(C)C1CCC1)c1ccccc1	322632307	SOBQFBKUALYNEC-ZDUSSCGKSA-N	244.378	4.576	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C1(CCC)CC1	379755262	ULFRVXQRTBVUKM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1C[C@H](C)c2ccccc21	381411795	YVCJSFSIUTWJSM-GDZNZVCISA-N	245.410	4.649	0	10	BJAE	
CC[C@H](Nc1c(C)cccc1F)c1ccsc1	382111836	KYZSWVLLGBHLHX-ZDUSSCGKSA-N	249.354	4.759	0	10	BJAE	
CC(C)C(C(C)C)[C@H](O)CCC1CCCCC1	383403830	PYTRWKPUPZLTER-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CNC(C)C)C[C@H]1CCC[C@H](C)C1	383686345	PUZWJFQYPQXYJK-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](N)c1ccccc1CCC	384465137	PCOZGWKZOAIHBG-MRXNPFEDSA-N	233.399	4.609	0	10	BJAE	
CC(C)Oc1ccccc1N[C@@H](C)CC(C)(C)C	384839322	ZISIEQPFBNNQJX-ZDUSSCGKSA-N	249.398	4.710	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1	385165550	DVZTWPPUGCMLRW-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
C[C@H]([C@@H](O)c1ccc(C(C)(C)C)cc1)C(C)(C)C	385372070	CJTGHLKAUJIOFF-IUODEOHRSA-N	248.410	4.700	0	10	BJAE	
CC(C)CCCCC[C@@H](C)[C@H](O)c1ccccc1	394741970	NMTQJTHGSBPBJV-WBVHZDCISA-N	248.410	4.963	0	10	BJAE	
CCCCCC[C@H](C[C@H](C)c1ccccc1)NC	395052907	QUDOCTRWKFMDKC-DOTOQJQBSA-N	247.426	4.739	0	10	BJAE	
C1=C(CCNCCCC2CCCCC2)CCCC1	395149096	HGAXBJHDGOUCHA-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CCC[C@H](C)CNc1cccc2ccsc12	395357177	KKMMKJRVLWPSKH-NSHDSACASA-N	233.380	4.749	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)CC1=CCCC1	400541470	YGBHVVGCFSDEGE-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C[C@@H]1CC=CCC1	402116348	AIKHDVFJCREKCD-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CCCC1CC1)NC	405706755	CUOBASSDDMRJNO-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCN[C@H](c1ccccc1)C1CC1	686309112	TVYOPJCKGUMMJQ-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
Cc1c(Cl)cc(N[C@H]2CC[C@@H]2C)cc1Cl	690293617	BEEQBRCCEHRSFS-MADCSZMMSA-N	244.165	4.512	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1NCC1=CCCCC1	691086030	YVOPOPWLIIQQLB-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCCCC[C@@H]1CC	691099865	KXGYKDKEWLUKPL-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@]1(O)CCCCC[C@H]1C(C)C	691127970	NPPYGDUGVUMKBO-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCCC[C@H]1C	691130773	ZLZITXVQFNACCD-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1ccc(F)cc1	691167347	OQZUZQCHWFHOBV-SWLSCSKDSA-N	235.346	4.597	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1ccc(C2CCC2)cc1	696177117	KEVJRJAUKMOWKG-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCCNC[C@H](C[C@@H](C)CC)C1CCCCC1	696836482	JFIYZFPVFZWIMF-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCC[C@@]1(O)CCCC[C@H]1C(C)(C)C	697596765	BYUDXXBQUPXDSJ-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCNC[C@]1(CCC=C(C)C)CC[C@H](CC)C1	698032100	JFPAYTGNEVOWIU-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](C(C)(C)CC)C(C)(C)C(C)(C)C	701132007	OUHHUJOZIOZSSE-ZDUSSCGKSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](C)[C@](C)(N)c1cc2ccccc2s1	704506078	FQBUJSJKDGYXBZ-ABAIWWIYSA-N	247.407	4.511	0	10	BJAE	
CC(C)Cc1ccc([C@H](N)[C@@H](C)CC(C)C)cc1	704757944	YXVVUHKNKCKHTM-WMLDXEAASA-N	247.426	4.567	0	10	BJAE	
CN[C@H](CC[C@H]1CCCC[C@@H]1C)c1ccccc1	704882174	XVHKCYNZGIGTBM-ZMSDIMECSA-N	245.410	4.554	0	10	BJAE	
CCc1cc(N[C@H](C2CCC2)C2CC2)ccc1C	705330031	ZMVWLBWYRJUQRZ-QGZVFWFLSA-N	243.394	4.548	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCCC12CC2	706293746	ILNCIQHVLVYYEW-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC1CCC([C@]2(N)CCCC23CCCC3)CC1	707766740	OETJKOQEMMEDEZ-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(C[C@H](C)CC(C)(C)C)C1	709077318	IUQTVEIJPQWIFI-FMKPAKJESA-N	239.447	4.604	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)C[C@H](C)CC(C)(C)C)C1	709184864	HEVCDIPLUFGGHG-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C1CCC2(CC1)CC2	709944283	HGQDRBWFJVIEHO-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@@H](CC)C(C)(C)C	711071650	OAWKCFKGFRXJFU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C1CCCCCCC1	713185066	QJPZJOPEXMIURO-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
C=C/C=C\CC[C@@H](N)c1ccc(C(C)(C)C)cc1	713736737	FTSWWKVLRVWGJJ-MWWKQMNYSA-N	243.394	4.506	0	10	BJAE	
CNC[C@H](CCCC(C)=C(C)C)c1ccccc1	718491287	DRGHTRLFVPFIKD-KRWDZBQOSA-N	245.410	4.516	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H](C)C(C)C	718601271	LWCLZAOXVGKEBY-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CC(C)=C(C)CCCC[C@@H](N)c1ccccc1	718642470	BITUWSLKHLKXIQ-MRXNPFEDSA-N	231.383	4.603	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1(C)CCCCC1	719181154	UILMMEYHLLOJQT-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCCCCC1(C)C	719192231	NAWYBMZASGPOLK-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC(=O)c1c(C)sc(C)c1C	722687589	INJHQLJPKCMUJU-UHFFFAOYSA-N	238.396	4.682	0	10	BJAE	
CCCCC1CCC(C(=O)C[C@H]2CC23CC3)CC1	722829467	ITWBGXHRWWBBTF-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC1CC(C)(C)C1	723531482	KSNFIMSMMASHTN-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CCCC1(CN[C@@H](C2CCCC2)C2CC2)CCC1	723985042	BBLNOPJEFGGSCJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
c1ccc2c(c1)CC[C@H]2SCC1CCCC1	1190256639	GHIIYOQGOJAQPE-OAHLLOKOSA-N	232.392	4.597	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Sc1ccc(Cl)cc1	1613257105	HFBYUVZQFGVEQE-NXEZZACHSA-N	228.788	4.867	0	10	BJAE	
CCC(CC)CC[C@](N)(CC)CCC(C)C	1900712919	NGNCEZLYYFWSRY-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1CCCCCC1	1901089060	GQSOOPLRUKELTQ-AWEZNQCLSA-N	224.388	4.742	0	10	BJAE	
C=C=CCCCCCCC(F)(F)C(F)(F)F	1902490191	SPSIAVFEYVUWMG-UHFFFAOYSA-N	242.231	4.866	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCCCC[C@H]1N	1905444356	LVQRAUGJEZVLMC-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CC1CC(CC)C1	1905452524	YTJPJIYAQSHZFA-IYXRBSQSSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CC[C@H](CC)CCC)C(C)C	1905453754	MHHHJMDWKVOLKK-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C)CCCCC=Cc1ccccc1	1911863592	SEARBBDERMDEOQ-MRXNPFEDSA-N	245.410	4.648	0	10	BJAE	
CCC1(C=C(CNC(C)(C)C)C(C)C)CCC1	1912134623	JLMPHMMNSVVDLY-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)C1CC2(CCCCC2)C1	1912648750	TVKMUTBJWVDYIF-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CCCCC[C@]1(CNCC(C)C)C=CCCC1	1916607858	AFSMTPZVKRRBIX-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCc1ccc([C@@](O)(CC)C(C)(CC)CC)cc1	1920056020	TUMAXIQNAMZHPU-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H](C)C1CCCC1	1924125465	NLUVMYAUCGSTJD-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C(=O)C[C@H]2C=CCCCC2)CC1	1925767680	BULDKUQGLCZGFT-SLTAFYQDSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)CCNC[C@H](C)C1CCCCC1	1926160421	YFBQKJIPEMAWQH-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C(C)(C)C(C)(C)C	1937169127	PWZLLMKUKAXKSN-LBPRGKRZSA-N	226.404	4.700	0	10	BJAE	
CCCC[C@@H](CCC1(C)CCCCC1)NC	1939122451	MDKLPXHTKCFDIK-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](CNC(C)(C)C)CC1(C)CCCCC1	1940406256	LIZSWXCTKTVQRK-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)cc(NCCC[C@@H]2CC2(C)C)c1	1940874132	UCNOXKWXZPWGGP-CQSZACIVSA-N	231.383	4.542	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CCCCCC1CC1	1941584941	CMRMZJQCWUVURX-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CC(C)CC[C@@H](C)C1(CNC(C)(C)C)CCC1	1942656218	LVKCDMYYCMUHPW-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCc1ccc(C(F)(F)F)cc1F	1943877212	LJIMAIQLOAULNX-UHFFFAOYSA-N	246.247	4.743	0	10	BJAE	
CCCN[C@@H](CCC)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944204751	RTPDHMDRIUNCNT-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C[C@@H]2CCC[C@H]2C)C1	1944800197	WWOHFNHQPHOCFU-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
Clc1cccc(NC2CC(C3CCCC3)C2)c1	1945957835	LCJSEHFXEHRSSK-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cc(F)ccc1C	1947455434	CGYMRFZMFZHXOE-JSGCOSHPSA-N	235.346	4.515	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1C=CCCC1)CC(C)(C)C	1947550974	BCKJCIFIKUPGAQ-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
CCCCCC(C)(C)CNCCC(F)(F)CC	1947891275	XBTZFJMZTIJYHR-UHFFFAOYSA-N	249.389	4.618	0	10	BJAE	
C[C@@H](C[C@]1(O)CCCCC12CCC2)C(C)(C)C	1947899705	IYNKFDQHIPPQJE-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1CC(C)(CC)C1	1948407194	LIXKLZTXPWVSED-JWMHWRSXSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CCCC1CCC1	1949015407	SLCKRULBCCTMIR-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)CC2CC(C)(C)C2)C1	1949734754	UQOKHRFBIYYINV-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(CCC2(O)CC(C)(C)C2)CC1	1949930656	IFXRYXDTBBVOAL-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC=C[C@@H](C)Cc1ccc(OCCC)cc1	1951309036	STEPVROCRRLOGX-CQSZACIVSA-N	232.367	4.620	0	10	BJAE	
CC(C)=C(C)CCc1ccc(C(F)F)o1	1958263506	FGOPUJBRZMMWAG-UHFFFAOYSA-N	214.255	4.506	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCC[C@H]1C)c1ccccc1	1963313344	RNBMOHIKQCIAMU-DJIMGWMZSA-N	245.410	4.696	0	10	BJAE	
C1CCC(CCCN[C@@H]2CC[C@H]3CCCC[C@H]32)C1	1965869638	FOUQTWJOFPRWRJ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NC[C@H]1CCCCC12CCC2	1967864606	GRUGNUYVNFEVNV-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2[C@H]3CCCC[C@H]32)cc1	1968295170	RXCYCLKFHSAYRP-FVQHAEBGSA-N	243.394	4.658	0	10	BJAE	
COc1ccc(C)cc1N[C@@H](C)CCCC(C)C	1968315455	NMUHAPSQVBSZIT-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
CCC[C@H](C)CN(CCC(C)C)C1CCCC1	1968816306	VQWKVWPCAKXUKN-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)c1cc(C)cc(C)c1	1969367601	UUKNSUGQYNDOGO-DOTOQJQBSA-N	247.426	4.923	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)CCC1CC1	1975835941	JYMQSPUJUMEIFP-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCC1(C(=O)[C@@H](C)CCC(C)C)CCC1	1978429175	XEQRDSKLJBKOHV-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(Cl)c(C2=CCCCCC2)cc1N	1993935477	CUNMSJOVRZLENA-UHFFFAOYSA-N	235.758	4.578	0	10	BJAE	
CC(C)=CCc1ccc(-c2ccccc2)s1	1994919354	LRTAGIQHNIGCBU-UHFFFAOYSA-N	228.360	4.924	0	10	BJAE	
CCCC1(N[C@H]2CCCC(C)(C)C2)CCCC1	1995681149	JAQKOEPPKZLRBJ-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@H](C)C1(C)CCCCC1	1995985662	LDMYIOUZPNMQAS-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@H]1C)C1(C)CCCCC1	1995990058	DOOMKSNTLBUAIT-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1CC[C@@H](C)C1)NC	1996248039	PTVSOOWPIBUJEP-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCC)C1CC=CC1	1997543848	MBGJYLPYWHURLY-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@@H](N[C@H](C)C2CCC2)CC1	1998639384	UORFTWCFUYTUQI-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)[C@H](O)CCC[C@@H]1CCC=CCCC1	2000012301	VVUIMJZNZNRXER-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](C(=O)[C@@H]1CCCC(C)(C)C1)C1CCCC1	2000104157	CKLVRHCDFYHHRQ-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)CCCC1CC1	2000331372	FBVMYTOVBDWXGA-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002218398	GLLNREUMQYSMCU-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
CCCCCC1CCC(C(=O)CC(C)C)CC1	2003068977	QLZGXCKLKKCRDO-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC1(C[C@@H]2CCCCCCC[C@H]2N)CCCC1	2003116934	LZMBSUDUSKBHKI-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC1(CC(=O)CC2(C)CCCC2)CCCCC1	2003180186	YCXTUKKORFUOOX-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CC1(C)CCCC1	2003185439	SEWGWWGNYVLIHF-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CC(C)CC[C@](C)(N)CC1CCC2(CC1)CC2	2003219323	YDORDABQXPCXKR-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1CCCC2(CC2)C1	2003285978	WGAVBGDTMQQYTQ-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CC[C@H](O)C1CC(C)(C)CC(C)(C)C1	2004234384	PYXCNYXFNOUDKA-AWEZNQCLSA-N	238.415	4.556	0	10	BJAE	
CCCc1ccccc1N[C@H](C)C1(C)CCC1	2004833096	IIKKGRYOTNVDNV-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(CO)CCCCC1(C)C	2005583845	RHCOMCBSSMXYNG-HOCLYGCPSA-N	240.431	4.638	0	10	BJAE	
CCCCCC[C@@H](NC)C1(C2CC2)CCCC1	2008477895	QQBVRLHSIDNHHX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)CCC(F)F	2008578141	BGUFACFUEKPBQE-NSHDSACASA-N	241.325	4.656	0	10	BJAE	
CC1(C)CC[C@@H](O)[C@H](CCC2CCCC2)CC1	2009408466	UKVOOWWZAJHGPI-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](O)[C@@H](CCCCCC2CC2)CC1	2009408668	VVFCKCKBGNNLEM-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H]([C@@H]2C=CCCCCC2)CC1	2009410660	KVBWMXRWTNUOTI-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCC1(C)CC1)NCC	2009550302	ZDLLRBLPNCDOPO-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC=CCCC[C@@](C)(N)C1CCC(C)(C)CC1	2009576813	JLYUOJYNIYZARF-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@H](O)C(C)(C)C(C)(C)C)CC1	2010726406	PNKGQMQXFRSXFO-JSGCOSHPSA-N	238.415	4.556	0	10	BJAE	
CCCC(CCC)[C@H](O)CC[C@]12CCC[C@@H]1C2	2010967451	FKERTXXDKPEDTH-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCCCCCC(=O)CC1C[C@H]2CCC[C@@H]2C1	2012002913	RQLIDQIYFZKONH-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC(=O)CC1C[C@H]2CCC[C@@H]2C1	2012009746	SOVWBWBOHVCISD-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC[C@](CCC(C)(C)C)(CNC(C)C)C(C)C	2012412673	OEMWCWNKBDPCHR-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccc(C(C)(F)F)cc1	2012750107	SWFIKKSTINHLEE-MNOVXSKESA-N	241.325	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CCCCCCCCC2)C1	2013181300	VSNFQHNQJQDXGH-CVEARBPZSA-N	237.431	4.611	0	10	BJAE	
CC[C@]1(CC(C(C)C)C(C)C)CCCCCN1	2015289742	DFOHXHSLIJUSMF-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CC[C@@H](O)CC2CCCC2)CCC1	2015642121	MNQCWTQKGSXJEH-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cccc(F)c1F	2016150950	ZNAUKXAOLYSGRR-LLVKDONJSA-N	239.309	4.512	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC1(O)CCCCCCCCC1	2016303306	ZUUUBJPSTUXVRO-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](C[C@@]1(C)C[C@H]1C)C(CC)(CC)CC	2016392348	YHHGXRJHJKYQBP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CN(CCC(C)(C)C)CC1(C(C)(C)C)CCC1	2017112109	JSHHOHZMQSRRQY-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CC1(C(C)C)CCC1	2017126497	BOGFJCOAVCPWHU-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(CC)[C@@H](CC1(C(C)C)CCC1)NC	2017140075	CTGMPFQHTNUJBK-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)c1cccc2sccc12	2017239558	TZSGFWFQNMGUPG-QWRGUYRKSA-N	244.359	4.520	0	10	BJAE	
CC(C)=C(C)CCN[C@@]1(C)CCCC(C)(C)C1	2017611921	DIXXCKIWPYBOHB-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C(C)(CC)CC)CC1	2017657571	HFOBSYAPBTXGGA-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC1CCC2(CC1)CC2	2017710138	OEDAOIPKJIBWCA-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)CC2=CCCCC2)CC1	2017774402	OCFMWAUEGSSUFX-CTYIDZIISA-N	234.383	4.662	0	10	BJAE	
CC[C@H](C)N(C)C1CCC2(CCCCC2)CC1	2019303301	RTVDKHVTBNCRAD-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccccc2C2CCC2)C1	2021027377	XXJASFPZXGHDAR-TZMCWYRMSA-N	229.367	4.555	0	10	BJAE	
CCCCc1ccc(C[C@@H]2C=CCCC2)cc1	2021486946	KSYZGLNCKYOVFW-MRXNPFEDSA-N	228.379	4.928	0	10	BJAE	
Cc1cscc1N[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2023000163	ZOEWCMQCXKDZTO-MELADBBJSA-N	249.423	4.827	0	10	BJAE	
CCC1CC(CC(=O)CCC[C@H]2CC2(C)C)C1	2025435848	OQHUHOWRILSQEL-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@@H](CC)C1)C1CCCC1	2025594485	CFVBKVWTSVTRCU-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1ccc(CC)o1	2026080793	SSUIVZBCIVXVNY-GFCCVEGCSA-N	236.355	4.631	0	10	BJAE	
C1CCC([C@H]2CCCN(C3CCCCC3)C2)CC1	2027027170	KTVQGPWTVGMSHV-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CC[C@@H](C)[C@@H](C)[C@H]1NCCC1=CCCCC1	2027793641	ODGXKLYONPSUNU-DLTWYDFYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1CC1(C)C)c1ccco1	2027854243	CMSNWMKDBZMNPV-ZIAGYGMSSA-N	249.398	4.537	0	10	BJAE	
CC(C)CCC[C@]1(CNC2CC2)CC=CC[C@H]1C	2027925857	IHLYZGICYAVGRP-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC([C@](C)(F)c2cccc(N)c2)C[C@H](C)C1	2027938597	FFHAPUYSGZKRNI-XHBSWPGZSA-N	249.373	4.526	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C1=CCCCCC1	2028751162	PYZUDQMLTFYEMV-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CC([C@H](N)CC2CCC=CCC2)C[C@H](C)C1	2030243424	WURBDQDHQOMISU-CKEIUWERSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CC1CCC1)[C@]12CCCC[C@H]1CCC2	2031759004	MQPGMMWDLCXOIW-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCNC[C@@]23CCCC[C@@H]2CCC3)C1	2031788313	HUUXRSUXKRLQGS-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
C[C@H](Nc1ccccc1C1(C)CC1)c1ccco1	2032242574	JJXUGJZWHVWHMS-LBPRGKRZSA-N	241.334	4.504	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@@H]1CCC[C@H]1C	2032508362	CQANVFNXKLKEGY-JKIFEVAISA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1CC[C@H]2CC[C@H]1C2	2035042660	CTIKBJHTYTWKKR-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1NC[C@H]1C=CCCC1	2035557895	BPVVTLSALFWTOU-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@@H]2CC23CCCC3)CC1	2036135402	VLJPEDQLJMGVLS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](C)N[C@@H](C)[C@H](C)CC(C)C)c1	2036377729	WGGBAAGOHORGAL-PMPSAXMXSA-N	247.426	4.716	0	10	BJAE	
CCC(C)(C)CC1(CN)CC2(CC3(CCC3)C2)C1	2039464573	VDRVNWRJJGAGCV-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
N[C@]1(CCCC2CC2)CCCC2(CCCCC2)C1	2040764874	JARLLCSZZXKBMH-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CN[C@H](C[C@@H](C)C1CCCCC1)[C@@H]1CC=CCC1	2042030732	ONJRCLRHKVRJKV-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@]12C[C@@H](C)[C@H]1C2	2042992669	NRSXKYCMDUVKKY-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1CCC(CC)CC1)[C@H]1C=CCCC1	2043188665	VKPKIQPMXOUTIW-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccc2c(c1)CCC2	2045608440	LHUQIBVARDSLQG-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
C[C@H]1CCC[C@H](N(C)C2CC3(CCCCC3)C2)C1	2046322958	RCYKWZLDSQUGLJ-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2CC23CCCCC3)C1	2047060412	XSWNLHWMBYBFDN-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@@H]1CCC12CCC2	2047940455	VJMLYWZMUKAOEU-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2CCC23CCC3)CC1	2047956121	LDAKVMNGQQNHAI-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CCC(N)(C[C@H]2[C@H]3CCC[C@H]32)CC1	2048493267	JTGYXPVJGFRTHX-JSGMBBGDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C[C@@H]2CC23CCCC3)C1	2049527443	BZUPADZOMADAQQ-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CC1CCC2(CC1)CC2	2049857250	MTMOLMHHEQPIEQ-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@]1(C)C=CCCC1	2050006442	NDQDMYXJNQRFQA-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC[C@@H](C)CC(C)C)c1ccc(C)cc1	2050432305	VHRIZCBXGOFZJL-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CC1(C)CCC[C@@H](NCC2(C3CCC3)CC2)CC1	2051914780	NQNVRAZNFQMNDH-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)CNc1cc(C)c(O)cc1C	2052172068	FQICVGBXPGAOJY-UHFFFAOYSA-N	249.398	4.637	0	10	BJAE	
CC1(CNC2C[C@@H]3CC[C@H]3C2)CCCCCCC1	2052512764	LJALMLWZARVVMP-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CCC1)[C@@H]1CCCCC12CCC2	2053421104	QCWWRNRCELCYBX-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CC=CC1)C(C)(C)C1CCCC1	2053663000	UUYLAPMXPWSCOX-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]1C[C@H](CC2CCC=CCC2)C[C@@H](C)C1	2055028947	NTXKQKVERMJBGC-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](NC2CCC3(CCC3)CC2)CCC1	2055551955	KMCLWWVEZPQGNI-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H]1CCC[C@@H]1C(C)C	2056446886	ARFNBYULVMTTHO-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1CC(CC(=O)C23CCC(CC2)CC3)C1	2056665516	DPOFYACGYVNGFY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@]1(CNCCC)CCC12CCC2	2059260557	YWHRXCVHYLULDO-NJELEJDNSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C)CC1)C1(CCC)CC1	2060928288	DIESWZYOZSJPFQ-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc2c(ccn2CC[C@@]23CCC[C@@H]2C3)c1	2061604492	ZSBRCDQALHLBSF-NVXWUHKLSA-N	239.362	4.530	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063486251	HYCPUUULZQCMLT-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063501226	NIZYZXOKVDEMJB-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCCC1	2063535659	LCCHDZOFZBJEGK-RBVVOMGSSA-N	248.410	4.742	0	10	BJAE	
C[C@H](N[C@H](C)C1(C)CCCCC1)C1CC2(CC2)C1	2064495104	WWHSWHLIUZNDIR-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C=C2CNC3(CCCCC3)C2)CCC1	2069344222	IVGFUFGQJRXHBX-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
Cc1ccc2c(c1C)CC[C@@H]1CC[C@H](C)C[C@H]21	2070297107	DRWFBVVVAVRLNH-YLVFBTJISA-N	228.379	4.769	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H]1CCCCC12CCC2	2070398190	LBQSDUKKGAPEMW-CVEARBPZSA-N	249.442	4.824	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@]23CCC[C@@H]2C3)CC1	2070966068	FQZWJKLCADDGKT-QBPKDAKJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C[C@@]1(N)CCCC2(CCCCC2)C1	2070977939	URBLEWXFDUZSOO-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2071191957	MHSOFYDIGVBBDN-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CC2(C(C)C)CCC2)c1	2071957413	ZNZUTMKWIXPNIP-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CCC(C)(C)[C@](C)(O)c1ccc(C2CCC2)cc1	2072767994	NRKKHKVVKGWSTK-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CN[C@@]1(C)CCC(C)(C)C1	2073068550	UALAUDZAOHHEMQ-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)[C@@H]1CCCC2(CC2)C1	2074642314	SQHOUCZNTQQVCE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C1CCCC(NCC[C@H]2CC3CCC2CC3)CC1	2077398389	XDAZNCXXDYYANY-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NC[C@@H]1C[C@@H]1CCC)c1ccccc1	2079452094	VRRXNSDRFAAXNJ-ULQDDVLXSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1ccc(C2CCC2)cc1	2079471903	BXMYGMIZWLLULR-HZPDHXFCSA-N	242.362	4.573	0	10	BJAE	
N[C@H](C[C@H]1C[C@@H]1C1CCCCCC1)C1CCCC1	2079626126	HKWKPJGMFRPBKV-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2C[C@H]2C2CCCCC2)CCCC1	2079817940	HDHMHUYKLWKQBJ-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)C1(CC2CCC2)CC1	2079845019	XCEUEJSVRJXYOK-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2C[C@H]2C2CCCC2)C=CCCC1	2079855351	YVHUBXNWHKPWFD-VYDXJSESSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	2079862832	IGHIRTYZKCQKAR-NNXHMXCWSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@@H](C)NC(C(C)C)C(C)C	2081207884	YVCYSJLNQFRHME-CQSZACIVSA-N	247.426	4.580	0	10	BJAE	
CCCN[C@H](C)c1ccc([C@H]2C[C@H]2C(C)C)cc1	2082715514	QHFCUNJCGZLDEN-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1[nH]c(C)c(C)c1C	2085941050	NLVVKTRMOHQLCS-LLVKDONJSA-N	249.398	4.729	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CCCCCCC1CC1	2213576654	SLGPMFRXVHVYNF-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@](O)(CCCCCCC1CC1)[C@@H]1C[C@@H]1C	2213577228	ZMNNXLSLXJCNAU-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC([C@@H](O)CCCCC2CC2)CC1	2214563382	PYJBDRJAHMUTBW-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C1(C)CCCCC1	2214570344	RHBOTFXRLZTYOW-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@@H]1CC(=O)C(C)(C)C1CCCCC1	2215054031	WQBYUODSWQDSEJ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C(C)(C)C1CCCCC1	2215333786	QEQJHFOPGLUCEG-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1C[C@H]1CCCC(=O)CC1CCCCC1	2215361288	DJGTVIUBJZVYFH-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)(C)C1)[C@H](C)CC	2215399392	VWEDDVSZGOLMEP-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCCCC(F)F	2216466829	ARQKTJJEFAXSMI-OCCSQVGLSA-N	248.357	4.533	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNCCCCCC1CC1	2218749781	LNASMBNTVPQZDO-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CCCCC1CC1)[C@H]1CC12CCCCC2	2220031387	UXTLRLVHOZXOGE-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)CCCCC2CC2)c1	2220045046	LKNVVGDMIGMMHK-KRWDZBQOSA-N	246.394	4.616	0	10	BJAE	
CCC[C@](O)(CC[C@@H]1C[C@H]1CC)c1ccccc1	2220850759	MQELRUBKCNAATI-INMHGKMJSA-N	246.394	4.501	0	10	BJAE	
CC1(CNCC2(C)CC3(CCC3)C2)CCCCC1	2220937568	ZDDPIQQJNMBSPJ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)C1([C@@H](N)CC2(C)CC3(CCC3)C2)CCC1	2221027494	HAHQFOANCHOWEX-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](NC[C@@]2(C)C=CCC2)C1	2222254406	BMQSAQXSFWIENP-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@]1(CNC2CCC2)CC12CCCC2	2223548840	HVLQENDJMSMOID-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)c1ccc2occc2c1	2224134446	IKWXJVAIYHMLOF-XHDPSFHLSA-N	246.350	4.539	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cscc1C(F)F	2244778942	BSSCUJBLQVQMSH-KCJUWKMLSA-N	248.338	4.545	0	10	BJAE	
CN[C@H](CCCC[C@H]1CCC[C@H](C)C1)C(C)C	2246724761	FDJMWFSDZGABTP-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC1=CCCCC1	2247460396	BBRRIHUFEKYEDW-HOCLYGCPSA-N	237.431	4.811	0	10	BJAE	
Cc1cc([C@H](O)[C@H](C)C(C)C)cc2ccsc12	2248580997	FVTKMVFTAWPGHD-BXUZGUMPSA-N	248.391	4.535	0	10	BJAE	
CCCC1(NCCCCC[C@@H]2C[C@@H]2C)CCC1	2248877662	GMYOTJUULDDZCX-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1cccc(C(C)(C)C)c1	2249232020	DAEMOSDCWQVNKW-SWLSCSKDSA-N	231.383	4.585	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cccc(C(F)F)c1	2250357944	YNMJOJLRDQHVRH-SNVBAGLBSA-N	240.293	4.633	0	10	BJAE	
CCCN[C@H](CCC)C[C@]12CCCC[C@H]1CC2	2251217744	SDUJQHFZYMVAON-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](NC)c1ccc2ccsc2c1	2253060296	KJFITUSYRRAXQZ-AWEZNQCLSA-N	247.407	4.742	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)CC[C@H]1CCCCC12CC2	2253816189	UDGBQJGNIVQPKJ-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1(CC2CC2)CCC1	2254590591	XDAGLSXGYZBDEG-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CCC1([C@@H](N)CC[C@@H]2CCCC23CC3)CCCC1	2255290317	DMNXMANBXDZEDF-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1(N)CC(CC2CC2)C1	2257313105	CFPAPKXSJQXSPJ-AKBUMOGYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@]23CCC[C@H]2C3)c1	2257904996	FNQNPHLDBACVRY-WMLDXEAASA-N	243.394	4.586	0	10	BJAE	
CN(C1CCC=CCC1)[C@@H]1CCC12CCCCC2	2257950569	IMXJIESLOJITDF-MRXNPFEDSA-N	247.426	4.530	0	10	BJAE	
CN(C[C@H]1CCC=CCCC1)C1CCC=CCC1	2257960294	WVYSMAZRPUDWGC-INIZCTEOSA-N	247.426	4.554	0	10	BJAE	
CC[C@H](Nc1cc(C2CC2)ccc1F)[C@H]1C[C@@H]1C	2259128196	YIXRIZNQJBGYOE-XEGUGMAKSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cc2cccc(C)c2o1	2259434344	ATTCVXYTZDGGKW-WFASDCNBSA-N	245.366	4.567	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](CC)c1ccc(C)cc1	2259464160	PUNSSJFAHOZDDS-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H]1CCNc2ccc(F)cc21	2261348534	MUTNOIDAXBZERZ-FRRDWIJNSA-N	247.357	4.551	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1CC)C(C)(C)CC	2298125965	HENQZHJGWKCUKN-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1C[C@@H]2CC[C@H]1C2	2298413249	GUERZPZOMWJWMC-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@@H]1CCCCC1(C)C	2298886196	ZYOSNZVMLYJFAJ-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCCCC(C)(F)F	2300502696	DGPLVEBSVNPUQP-CYBMUJFWSA-N	249.389	4.746	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)C1CCC(C)CC1	2300688885	RLPKGAFAZMUSFT-AVVWSFFYSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@H]1CC[C@H]2CCCC[C@@H]2N1	2300697737	RZIYULLKOPSJCC-OAGGEKHMSA-N	237.431	4.514	0	10	BJAE	
CC=CC[C@H](NCC)c1cccc2ccsc12	2300879165	DPCKECZCZNCAME-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
CCCC[C@H](CC)N(C)CC1CCCCCC1	2301145963	UMUMZLHNWTXZTH-INIZCTEOSA-N	239.447	4.857	0	10	BJAE	
CSCC[C@@H](C)Nc1cccc(C2CCC2)c1	2301880613	XYRNFUWAEUSJHB-GFCCVEGCSA-N	249.423	4.508	0	10	BJAE	
CCCC1(C[C@H](N)CCCCC2CC2)CCC1	2302573788	IGCSWPXGPLXASK-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C(C)(C)C2CCC2)C1	2302878780	SMHXHLXMDJNFPV-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1NC[C@@H]1CC12CCCCC2	2302890296	SJVNKHDMLUDXIY-ZDUSSCGKSA-N	249.423	4.693	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C[C@@H]1CCC(C)(C)C1	2302903386	ZEHJGTCMJFCFAU-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CNC[C@]1(CCCC(C)C)CCC(C)=C(C)C1	2303584064	OQXPCLQLVWLRGC-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CC[C@H]1CCC(C)(C)C1	2304436156	RFWKCUSGLOZCDK-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(CNC(C)C)C(C)C	2307831228	IYGZQGYBTQAQMK-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1ccc(C)c(C)c1	2307844571	OEHWPBOQYRDXHW-GOEBONIOSA-N	234.383	4.553	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CC(=O)CC2(CCC2)C1	2307897998	GSIMFTNJVDVGGR-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@@H]1C[C@H]1C1CCCCC1	2311537116	LIMAXZOOFSRQJE-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NC[C@@]12CCC[C@@H]1CC2	2313314340	BTVWFGNOJGTVIY-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]([C@H](C)CC2CCC2)c2ccccc2N1	2313624235	LYSXKNVVSGGBTJ-XJKCOSOUSA-N	243.394	4.801	0	10	BJAE	
CCC(CC)CC[C@](C)(O)c1ccc(C)c(C)c1	2316236796	YRDHQFIXCWQRNL-KRWDZBQOSA-N	248.410	4.727	0	10	BJAE	
CC1(C)[C@@H]2CC(C(=O)CC3CCCCCC3)C[C@H]21	2316879844	HCGHGKDCGCQQJT-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2316945188	DQDQFZBZFJLORD-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)CN[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317124837	QZCALWBKZZRAFQ-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCCC1CC1)CC1CC(=C2CCC2)C1	2318875145	GJYQVTHGJWNELL-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCCNCC1(C[C@H]2CCC(C)(C)C2)CC=CC1	2319065749	NXONKFHOROGDTR-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2319124548	TZLHAKQHVIHENW-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CC[C@@H]3CCCC[C@H]32)C1	2319326002	KROPDRZLMCBQHC-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@H](N)[C@]1(C)C=CCCC1	2320241884	XULDDIBYXKAZRE-KLZNWCGWSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@@H]1CCC12CCC2	2320255796	PBMUCXNMPMATFM-MJBXVCDLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CN(CCCC2=CCCCC2)C(C)(C)C1	2320567287	HCKGRKSLQJZYLF-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC(C)c1cccc(CCC[C@@H](O)C(C)(C)C)c1	2320664221	XXTHWBVDKXYWOF-MRXNPFEDSA-N	248.410	4.540	0	10	BJAE	
N[C@H](C1CCCCCCC1)[C@@H](CC1CC1)C1CC1	2320805536	SOHCCFSARVEIQW-DLBZAZTESA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)cc(NCC2CCC=CCC2)c1	2321076377	DRJQAMUAMYYTGV-UHFFFAOYSA-N	247.357	4.546	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C23CC(CC(C)C)(C2)C3)C1	2321641013	AFTIQMNTDZIJSI-HOBHPSKFSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(N)c(F)c1-c1ccccc1C(C)C	2327852133	ZTXOCODEYGCBHP-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1c(C)cc(C)cc1C	2328272773	AJUMYSNRQIGQPB-JKSUJKDBSA-N	247.426	4.828	0	10	BJAE	
CCCC(CCC)Nc1ccc(F)cc1C	19997752	NABAEYCKXXTPNM-UHFFFAOYSA-N	223.335	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1NC1CCCCC1	20546138	HJQOBIXGEVVBTG-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
Cc1ccccc1N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	21514618	NNHFFAKNLHWZMW-LXZKKBNFSA-N	245.410	4.868	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)c1ccc(CC)cc1	35582629	WKTAHHSHQYJGLW-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CC[C@H](N[C@@H](C)c1ccc(C(C)C)cc1)C(C)C	37295343	FBRNQOHDMNQYEA-YOEHRIQHSA-N	247.426	4.895	0	10	BJAE	
CCCC[C@H](CC)NC[C@H](CC)CCCC	68985771	BVWBKXPEINRXDQ-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CCC(C)C)NC	71085342	QDXJXHZYGXTVCR-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(NCc2cc(Cl)ccc2C)cc1	83374634	XWHNOQNWIJOCBL-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCC[C@H](CC)CC1	83435311	ROGVCQVPAMZASM-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CCCCCCC(=O)C1CCC(CC)CC1	83778219	UJBAKEHXPVONGS-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O	85157532	HFTHQCIQBWJGFB-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccsc2)cc1C	85528021	QXTIUKMBNLKYDK-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)CCCC(C)(C)CC2)C1	86898321	HJYLJWBWKFOFPT-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](N[C@H]1CCCC1(C)C)C1CCCCC1	94308503	JKJFJHQIVBELPA-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCC1([C@@H](NC)c2ccc(C)cc2C)CCCC1	94899987	KYZJLJNBNNORFE-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCSc1ccccc1N[C@H]1CCC[C@@H](C)C1	103969760	JBTWLFOHLVGRAC-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
C/C=C\[C@H](C)Cc1cc(Cl)cc(Cl)c1	107500601	CDDAGCVBKMRPBI-TYRPZCRBSA-N	229.150	4.748	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cc(N)ccc2C)cc1	109436770	KYLARAPWFTXTRO-LBPRGKRZSA-N	239.362	4.758	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)c1ccccc1	109724560	XDERHNAPCPYCSG-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CCc1cccc(NC2CCC(C(C)C)CC2)c1	109757419	BEILKTJCBZTODU-UHFFFAOYSA-N	245.410	4.876	0	10	BJAE	
CCc1cnc(C2CCCCCCC2)s1	132136082	XRYNKZXNADSPDK-UHFFFAOYSA-N	223.385	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H](C)C2CCCCCC2)C1	149983728	AQIRXCMTEGZJAG-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H]1CCCCC[C@@H]1CNC(C)(C)C	155856497	FVFWPGSUJFFNQP-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC(C)C)c1ccc(CC)c(CC)c1	157962207	JBJBEBLHBJJYRG-QGZVFWFLSA-N	247.426	4.508	0	10	BJAE	
CCN[C@H](CC1CCCCC1)CC1CCCC1	161009791	CKOIQRDXLPWSEV-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC1CCCCC1	165793133	RIYVCYPXOPUXFC-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H]1CCCC[C@H]1CNC(C)(C)C	211891300	UXSWJBXUBRBCNQ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@H]1NC1CCCCCCC1	226160202	KAFGSGLFTFIQMM-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H]1CCC[C@@H]1C	226827842	SFYXEOBAUYCAMC-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@@H](CC)c1ccccc1	229743496	NSAMIWBBCLZEHJ-IRXDYDNUSA-N	245.410	4.515	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCC[C@H](C(C)C)C1	230986272	QGTZTUPWDFLJNG-JKSUJKDBSA-N	245.410	4.876	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCC[C@H](C(C)C)C1	230993460	WQRVQQMRBVLYTM-KBPBESRZSA-N	249.373	4.761	0	10	BJAE	
CCCC(=O)c1cc2cc([C@H](C)CC)ccc2o1	232359326	JIAGHPCXRBCVHI-LLVKDONJSA-N	244.334	4.929	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)NCC(C)(C)C(C)C)c1	232781604	AIDZUGQQSQPZCN-OAHLLOKOSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1(C)CCCCC1	233922288	ISIRIVRPUMQMKX-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CSc1ccc(N[C@@H]2CC(C)(C)C[C@H]2C)cc1	235054878	RRXKURJQIAIUSQ-BXUZGUMPSA-N	249.423	4.645	0	10	BJAE	
C[C@@H]1CC(c2cccc3c2CCCN3)C[C@@H](C)C1	235376149	KUQUNNLSOMPBDO-STQMWFEESA-N	243.394	4.584	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCC[C@H](CC)C1	300689332	GIHORNAWWOBQKZ-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CCCCCC[C@](O)(CCC(C)C)C1CC1	304341033	OVNYDZIWXXHZID-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)C)C1CCCCC1	305901399	BARZWMVNVFLYAQ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(CCCC(C)(C)C)C1	305958913	WIZYSPMATSAZBK-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
Fc1ccc2c(C(F)F)c(Cl)sc2c1	306882378	IVFNLXCYCAUUKE-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@H](CC)CC(C)C)C1	308105266	VAUQOSNZEVKCTH-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)(C)C)CC1(C)CCC1	310555471	YCTRUPHWWNXIQP-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@]1(CCCC(C)C)CC[C@@H](CC)C1	317402207	GWSJMGQKCHRALS-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1ccc(Cl)cc1C	320228473	UTXLDKRLHPKFHB-ONGXEEELSA-N	238.758	4.513	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C1CC1)C(C)(C)C	324301915	UOAQKDITDYUYOM-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H](C)C1CCCCC1	384180877	ZIJMFLANZUZLRF-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCCc1ccccc1[C@@H](N)C1(CC)CCCC1	384668680	QFDLLYZCWRDUOM-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CCCC[C@@H](C[C@H](C)c1ccccc1)NC(C)C	384682318	ARARTLICBWWZKY-RDJZCZTQSA-N	247.426	4.737	0	10	BJAE	
CCCC(CCC)c1nc2c([nH]1)[C@H](C)[C@H](C)CC2	385176480	ZQQDVXMBZLAUFQ-VXGBXAGGSA-N	248.414	4.779	0	10	BJAE	
C1CCCC([C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1	386039283	SJGGWOSORQIAEW-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1[C@@H](C[C@H](C)C(C)(C)C)NC	386679276	XYRHYOSHYVOONS-XJKSGUPXSA-N	247.426	4.582	0	10	BJAE	
CCc1ccc([C@@H](C)N[C@@H](C)CC(C)(C)C)cc1	395021561	NENDTKLZYVGYHB-UONOGXRCSA-N	247.426	4.724	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CC1CCC(C)CC1	395119282	JDRWVVCWGPEOKP-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCc1c(F)cc(C(F)(F)F)c2sccc12	396292663	FARMSXXDFGIOFQ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
Cc1cc(S)cc2scc(C(F)(F)F)c12	396298340	IFEMBNHPKQVGPW-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCc1ccc([C@@H](C)NCCC=C(C)C)cc1	397769678	OXGSCYMQOITPKX-OAHLLOKOSA-N	245.410	4.646	0	10	BJAE	
CCC[C@H](CCC[C@H]1C[C@H]2C=C[C@H]1CC2)NCC	402139001	ICIKKNGJLSTTAV-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)C(CC)CC	402200425	DUNFVRYRIQPUCZ-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1	403586337	CYUDZTKWHVEYEA-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)CCNC[C@H](C)C1CCCCC1	686307179	VQCCUQMXNRNVIW-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCCC1CCC1)NCC	688369470	RGVRLNVPDWIASN-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCC2=CCCCC2)C1	690297721	CNNWRASFQOYCGG-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@H](C)C1CCC1	692679432	RGEATKANJIATRW-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@]12CCCC[C@H]1C2	693183449	OXRPAPCLYDYFKK-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@]23CCCC[C@H]2C3)CC1	693196100	HNHUZNDXEOKCJS-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H]1CCCC12CCCC2	695099256	OELSHXSZVKGFJA-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@H]1CCCC2(CC2)C1	695980911	BNWRKRJTTRDUOI-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)c1cc(C)ccc1C	696681330	BTCJRORKIHGCGR-QGZVFWFLSA-N	248.410	4.727	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)CC)CC=CCC1	696734762	LCXWBBPNJFICMT-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H]([C@H](CC)CC(C)C)C(C)(C)CC	701165398	NGEHLBORJZZXGL-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC2CCC1CC2	704959686	VXHPWMBFOISANP-LBDPXKHJSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@H]1CCCC12CC2	706219524	ZYOXALMKTVWJNM-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc([C@@H](NC)[C@H](C)CC(C)(C)C)c1	708309838	GJKXJNFYPHYULE-CJNGLKHVSA-N	247.426	4.582	0	10	BJAE	
CCc1cccc([C@H](NC)[C@@H](C)CC(C)(C)C)c1	708309842	GJKXJNFYPHYULE-XJKSGUPXSA-N	247.426	4.582	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H]1CCCC1(C)C)CC(C)(C)C	709123835	FHSRNUORYDNAGW-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@H](O)C1(C)CCCCC1)CC(C)(C)C	709127652	DOPFDLJCNLCVSS-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
Cc1c(Cl)cccc1OC[C@H](C)C(C)(C)C	711120994	KXTLGFNSDSGDMF-JTQLQIEISA-N	240.774	4.709	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H](C)C(C)(C)C	711202774	UCTWHYJCWFAQBX-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
CC(C)CC[C@@](N)(CC(C)(C)C(C)C)C1CC1	713173900	CZEVGIIKKDEVQK-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)c1ccsc1Cl	713240256	DWTBHCVJUHIISO-JTQLQIEISA-N	246.803	4.507	0	10	BJAE	
CCC(C)(C)CC(C)(C)[C@@H]1CC[C@H](C)CC1=O	713368977	RMZVYLXGGFUBNQ-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C/CC[C@H](O)c1cccc(C(C)(C)C)c1	713680084	CYFJBRBMZXRINN-MOEXGYKKSA-N	244.378	4.540	0	10	BJAE	
C=C/C=C\CC[C@@H](NC)C1(CC(C)C)CCCC1	713764988	UEUBTBDPNUNHLU-MWWKQMNYSA-N	249.442	4.703	0	10	BJAE	
CCCCC[C@@]1(CNC2CC2)CCC=CCCC1	718995655	DUNYLMQIOOJLIB-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC(C)c1csc(S[C@H]2CC[C@H](C)C2)n1	1166457869	DPIFNPBHRRFSMZ-UWVGGRQHSA-N	241.425	4.547	0	10	BJAE	
CC(C)[C@H]1CCCCCN1CCCC(C)(C)C	1653916300	GFONAWSEPWFWSB-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(C)=CCCNC(C)C)C1	1876996361	BTPAYZIGGZHQLJ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCSc1cccc(NCC=C(C)CC)c1	1900825343	DTPBJJRRNKZVRA-UHFFFAOYSA-N	235.396	4.567	0	10	BJAE	
CCN[C@@H](CCC=C(C)CC)c1cccs1	1900890130	NYIMDJKHKCNQQS-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
CCC(C)=CCc1cccc(CC2CC2)c1	1900902954	JPAUQYCARIPDHT-UHFFFAOYSA-N	214.352	4.538	0	10	BJAE	
CC[C@@](N)(CC1CCCCCC1)C(C)(C)C	1901061054	OCMXQJGUMIFOGC-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
C=CC=CCCCCCCC(F)(F)F	1901371280	BDAMDZVUCMZZSP-UHFFFAOYSA-N	206.251	4.632	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)[C@@H](C)[C@@H](C)C(C)C	1901703416	PALLNKWZMTURDC-MELADBBJSA-N	226.404	4.556	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1ccc(F)c(Cl)c1	1901712864	YWHPXLPVDAOWPD-ZJUUUORDSA-N	243.753	4.572	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCC[C@@H]2C[C@H]2C)CC1	1908534046	FOFGHERJOQWZLC-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](O)CC1CCCCC1	1908538503	WYNHMNWPSSAOMX-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)[C@@H](C)CCC	1908546290	BZDKNZMIYQCTDT-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@]1(O)CCC2(CCCCC2)C1	1915857817	MXYJIXVFRFFDIL-MRXNPFEDSA-N	238.415	4.822	0	10	BJAE	
CCN[C@@H]1C[C@H](C)CC[C@H]1CCC(C)(C)CC	1916007609	WBNIDHQSMJPHDY-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CCC[C@@H](C)C2)C=CCC1	1916378191	QPMBXERNYWPEIZ-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCC3(CCCC3)C2)C1	1916442902	RZFUDFAZYAMLRK-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCc1ccc([C@](N)(CC)CC(CC)CC)cc1	1920452659	XNNUYXACEIWAAV-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC1(C)C[C@@H]1CCOc1cccc2ccccc12	1921469965	OBZHAOZSJNIVGK-AWEZNQCLSA-N	240.346	4.655	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	1924100867	ZGPPKGASGHJSBP-VRKREXBASA-N	248.410	4.598	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H](C)C1CCCC1	1924101624	SVRUYRCIRDBJNN-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
BrC=C1CCCCCCCCC1	1932868614	ZNYDWDXLLOCCMG-UHFFFAOYSA-N	231.177	4.790	0	10	BJAE	
CCCC[C@H](CCC[C@@H]1CC1(C)C)NCCC	1940871542	DPXSVFZGXIMMDG-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)[C@@H](CC(C)C)C(C)C	1941263620	DBXSJMFHYUXTSD-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
O=C1CCCC[C@@H](c2csc3ccccc23)C1	1945621446	BAJJZSYFILEGHC-LLVKDONJSA-N	244.359	4.518	0	10	BJAE	
CCC(F)(F)CCNCCCCCCC(C)C	1947889896	DDANFQRLDBULPI-UHFFFAOYSA-N	249.389	4.618	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CCC(C)=C(C)C	1949047626	UDSDFZJHSJRTBF-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
CCC[C@H](C)C[C@@H]1c2ccccc2NC[C@H]1C	1949108956	HBDCINIFIOUGKS-GUTXKFCHSA-N	231.383	4.658	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)CC2CCCCCC2)C1	1949551124	IMRIFVDTIHWTBS-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](CC1CC2(CCC2)C1)NC	1949734161	OEINARVSCMHASE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCSc1ccccc1NCC1(C)CC(C)C1	1950521177	LWQRKCJWVYZIPG-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@H](N)CCCC(C)(C)C	1951005834	IAXMOMVREKMFIS-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
CCC1(CC(=O)c2cc(Cl)cs2)CCC1	1958190265	BXMYCTDVLXTDKJ-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCC(CC)(CC)C(=O)CCC=C(C)C	1959914449	KOCSKCLIRQDMPY-UHFFFAOYSA-N	210.361	4.518	0	10	BJAE	
CC(C)(C)C1CC(N[C@H]2CCC3(CCCC3)C2)C1	1967739006	OMDBOVXSKKSMHZ-SLTAFYQDSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CCC1CC1)NC1CC(C2CCCCC2)C1	1967800080	XJXDEYZOTFEQMG-IGEOTXOUSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCC1)Nc1ccc(C2(C)CC2)cc1	1967847577	QIGQBFBHEXZKQR-CYBMUJFWSA-N	243.394	4.729	0	10	BJAE	
C[C@H]1CC[C@H](COc2ccc(C(C)(C)C)cc2)C1	1968299571	WIABWKPSVSFKIR-KBPBESRZSA-N	246.394	4.799	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CCC2(CCC2)C1	1968311086	XLKWECSXQRSMHI-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)cc([C@H](C)NC(C(C)C)C(C)C)c1	1968604018	KHYDTRVUSAJSPI-HNNXBMFYSA-N	247.426	4.635	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCCC2(CCC2)C1	1968648468	OFLJJVKCEKWZCH-CYBMUJFWSA-N	247.357	4.659	0	10	BJAE	
CC[C@@H](C)N(CC)Cc1ccc(C(C)(C)C)cc1	1969517010	DHNYEMXLPRQKDX-CQSZACIVSA-N	247.426	4.605	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(CCF)cc1	1970092753	JVKSHJBPEGDXCQ-CQSZACIVSA-N	237.362	4.579	0	10	BJAE	
CC(C)Sc1ccccc1NC1CC(C)(C)C1	1970342313	JUNIPUFSZXLWHG-UHFFFAOYSA-N	249.423	4.788	0	10	BJAE	
CC1(C)CCCC[C@@H]1c1nc(C2CC2)cs1	1981849390	FYKAQWZSYHQEEZ-LLVKDONJSA-N	235.396	4.704	0	10	BJAE	
CC=CCCCC(=O)c1cc(Cl)ccc1C	1984581878	YIKBLKMJKJRCFZ-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CC=CCCC[C@@H](O)[C@@H](CCC)CC(C)C	1984604211	VLYFZIUZERMUSB-LSDHHAIUSA-N	226.404	4.556	0	10	BJAE	
CC=CCCCc1ccc(C(C)(F)F)cc1	1984609874	GZJFVGHOUBICPD-UHFFFAOYSA-N	224.294	4.697	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1)[C@@H]1CCC1(C)C	1987991917	CBKWVUDHBUSELP-GWCFXTLKSA-N	237.774	4.577	0	10	BJAE	
CCCCC[C@](N)(CC)CC[C@@H]1CC1(C)C	1990090394	BCHMIXQIRBFBTP-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N(C)C[C@H](C)C(C)(C)C	1995748806	VTAQMFZSJGPEHJ-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
CCC/C=C/CNc1ccc(C2CCC2)cc1	1995867872	TUDBYETXRPNYNV-SNAWJCMRSA-N	229.367	4.722	0	10	BJAE	
CN[C@H](CCC1CCC1)CC1(C)CCCCC1	1998047024	FVXRCQYKEIKQQS-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CC1CC(C(C)(C)C)C1	1998259806	VWRMRHQTRWGYSM-URGYJCLVSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@@H]1CCC=CCCC1	1999992969	XTLCTZKIXLHEEE-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(O)C2CCCCC2)C1	2000026408	CLZNHXVFKZVPDL-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](c1cccc(N)c1)[C@@H]1CCCC(C)(C)C1	2000163250	QWKIESBKVSAUAZ-GXTWGEPZSA-N	231.383	4.589	0	10	BJAE	
CCN[C@H](C(CC)CC)C1(C)CCCCCC1	2000372105	KVHCREXYZCGCDL-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](CC)(CNCC)[C@H]1C=CCCC1	2000504007	CWRVCNOJNWFZMY-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@H]1CCC[C@H]1C	2000506479	BCQSHUXFDKZGCR-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CC[C@@H]1CC1(C)C)CNCC	2000512465	RVEQQIKKOMBWNP-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)NC[C@@]1(C)CC=CCC1	2001693307	GJRGRSXFJXDIEC-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(NC[C@@]2(C)CC=CCC2)c(Cl)c1	2001699360	OOILACQIAOYNKE-HNNXBMFYSA-N	249.785	4.807	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@H](C)CC(C)(C)C	2002515941	NBNNOBZGDCQBDZ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)CC2(C)CCCC2)C1	2003179445	OKMRBQVPTDFRNX-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC1(CC)CCC(O)([C@@H]2CC[C@H](C)C2)CC1	2004353056	NXEDUUNDEBOCMS-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
C[C@H](N[C@H]1CCCCCC1(C)C)C1(C)CCC1	2004837966	WATFEZUTGWOIIJ-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@@H](C(C)(CC)CC)C1	2006628970	DIYKYTCFWYUFAX-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@@H](N)C[C@H](CC)C(C)(C)C)C1	2007745965	FRSHOKWDWIDLGA-PFSRBDOWSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccc2sncc2c1	2008089419	NITXNPRRFOVIDK-NSHDSACASA-N	248.395	4.533	0	10	BJAE	
C[C@@H]1CC[C@H](O)[C@H](C[C@@H](C)CC(C)(C)C)CC1	2009407836	PQTSQKVQSLJOSW-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1N	2009621004	ZYLNMXNLSSYCJT-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@](C)(N)CC(C)(C)C)CC1	2010740554	WACMVMSZNVVOMJ-CZUORRHYSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCCCC[C@]1(O)C=CCC(C)(C)C1	2012065554	WLDXJUXBWPJRGF-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C)C1(O)CCC2(CCCCCC2)CC1	2013203298	VDXBPOIOVOGERZ-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)C)C(C)(C)C(C)C	2015271071	LZZKVQOSAKCRQD-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CC(C)CNC[C@@](C)(C[C@@H](C)C(C)C)C(C)C	2015403036	XISDWBVHWNJKSV-HZPDHXFCSA-N	241.463	4.577	0	10	BJAE	
CCCC1(C[C@@H]2CCC(C)(C)C[C@@H]2O)CCC1	2015634447	RRUGZSNHGHKKLN-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](NC)C2(CC)CCC2)CCC1	2015641208	AZBRBPIEQXORHB-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CN(C)CC1(C(C)(C)C)CCC1	2017112589	PMJRTYAEMYZDER-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCC1CCC(CNC[C@H](C)CCC)CC1	2017661541	CSMASPDDXZWJTD-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C2(C)CCC2)CC1	2017776014	JWPOHWLPTRPOOD-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1(CCC)CC1	2018936693	DNWVKOKRJYOAMU-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CC1(CCC)CC1	2018969003	AECAUNNFIOJWFY-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCCCCCCC1	2019197747	CXKCBJKJGRPMFK-CVEARBPZSA-N	237.431	4.611	0	10	BJAE	
CCCCCCN(C)C1CC(CC(C)(C)C)C1	2019289427	BCYABFRGUPRLBY-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1C[C@H]1C1CCCC1	2022491137	YZLLMEJPHYTCGB-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCCC(C)(F)F)[C@H](C)CC	2023294877	KYWHFRPQKLVJON-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CCCCC(C)(F)F	2023299932	QQESWCNXSPNZFH-STQMWFEESA-N	249.389	4.602	0	10	BJAE	
CCCCCC[C@H]1CC(C)(C)CC[C@@H]1NCC	2024120663	YCHJZXJANQBQTQ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@](O)(C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2024125374	TVWJDXJIQCHKMS-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@]12CCC[C@H]1C2	2026170642	REKMBHUNRZAKFT-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
N[C@@]1(CCC2CC2)CCCC[C@@H]1C1CCCCC1	2026896331	JJMFAEAQPLGRTE-IAGOWNOFSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@]2(N)CCC[C@H](C3CC3)C2)CCCCC1	2027306471	LDUUFFTXCJEKGR-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
CNCC1(CC2(C)CCCCC2)CC2(CCC2)C1	2027306982	QVDUBCYCYLKCOO-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1ccccc1C1CCC1	2028262868	KWAUKOHLOXPBEW-YOEHRIQHSA-N	245.410	4.636	0	10	BJAE	
CC1(C)C[C@@H](NCCCC2(C)CC2)CC2(CC2)C1	2030289288	XANLWNDLMAPNIV-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC=C(C)C)C12CCC(CC1)C2(C)C	2033435362	QACVRFCCUOBBLK-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](NC1CC(C2CCCCC2)C1)C1CC1	2033830735	QQQGEENDPWJDNP-OFLPRAFFSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CC[C@@H]3CCCC[C@@H]32)C1	2034256376	IMZNCLLVLSJTRU-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(N[C@@H]2CCC[C@@H]3C[C@H]32)CCCC1	2035892379	RAOARTFZTYCKJC-DJIMGWMZSA-N	249.442	4.658	0	10	BJAE	
CCC1(C[C@H](N)c2cccc(C3CC3)c2)CCC1	2036351694	FIGZWACUWIRRJY-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2037134702	ZFQRNWWOUDYQRF-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@H]1CC1CCCCC1	2037221878	ATVFEUXCUMAJHQ-BBRMVZONSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CC[C@@H](N2CCCCC23CCCCC3)C1	2037679636	SSMCLEVRVSYXAU-OAHLLOKOSA-N	249.442	4.754	0	10	BJAE	
CCCC1CC([C@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037686465	MERQETBWPYGPJY-BHDPWAOGSA-N	249.442	4.501	0	10	BJAE	
CC(=CCCNC(C)C)[C@@H]1CCC2(CCCC2)C1	2037692557	FQUXYVXFAZGSRH-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1cccc(F)c1C	2039446187	DPPWDLIIKRRYSO-TZMCWYRMSA-N	247.357	4.538	0	10	BJAE	
CCC(CC)C[C@H](N)C1CC2(C1)CC1(CCC1)C2	2039461630	IEYMEYBNXIHINT-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@H]1CC[C@@H](C)C1	2040141746	KQKXURFQGCCVEH-KGLIPLIRSA-N	244.378	4.819	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)[C@H]1CCC2(CCCC2)C1	2043680859	USRGRVXFFWZQSB-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@@H](NC2CCC3(CCCC3)CC2)C1	2045659543	DFFPRUPTFXRSCM-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CN[C@@H](CCCC1CC1)c1cccc(C(C)C)c1	2045719345	RASPEUMUBYYJSZ-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
C[C@H]1CCC[C@H](NC2CC3(CCCCCC3)C2)C1	2046229828	INMKPXZQSFMQLP-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C[C@@H]1CC12CCCC2	2047011570	XZVCEZCEISRJAH-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@H]1CCC12CCC2	2047933256	RZUSBMZONRDFAZ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@H]2CCC3(CC3)C2)C1	2049950755	JPOHOAXTJHMYHW-CFVMTHIKSA-N	246.394	4.518	0	10	BJAE	
CCC1CCC(CC(=O)c2ccc(C)cc2)CC1	2050465555	UGIUOOJNFOZQPP-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CCC[C@H]2CC[C@H]21	2052286641	MXUAZHUZFHEPDR-USXIJHARSA-N	241.378	4.555	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@@H](C)C2(C)CCC2)c1	2052332370	SKWIGTSOECQMCY-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
C[C@H]1CCC[C@@H]1N(C)C1CCC2(CCCC2)CC1	2055269659	JBSXLLQFKQVYCV-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
CC1=C(C)[C@H](NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCC1	2055551755	IUWCDBZXBZIVJY-OSRSDYAFSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CCCC1)C1(C)CCC2(CC2)CC1	2056551662	GQIVQMAMASMWTF-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(C[C@H]2C[C@@H](C)Nc3ccccc32)C1	2056641696	BDWWJMNUCKOYTG-XSCHDIRWSA-N	243.394	4.801	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)[C@H](C)C1CCCCC1	2056872696	GJCWNTAZHVMCME-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H]2CCCC[C@H]2[C@H]1NCC	2059254854	CCQHVMBWDHKODW-JVFQJLMCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C1=CC[C@@H](C(C)C)CC1	2061120446	XNUIPRWNZZHILO-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC[C@@]23CCC[C@@H]2C3)C1	2061606369	LCTAELAXLMQVSQ-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
Cc1cc(F)c(CC2CC(=C3CCC3)C2)c(F)c1	2061719564	AZYNHRNDSSHFJY-UHFFFAOYSA-N	248.316	4.706	0	10	BJAE	
CC(C)(CC[C@@H](N)C12CCCC1CCC2)C1CC1	2063828932	AWJHIKDTTQDIPP-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CCC1CC1)NCCC12CCC(CC1)CC2	2065259418	MOJDLGMIHQUZID-OOHWJJMZSA-N	249.442	4.515	0	10	BJAE	
CCC1(CNc2cccc(C(C)C)n2)CCCC1	2066347723	UJBFJCCKPSQMPG-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H](C)[C@@H]1CCC1(C)C	2068289771	WLJYWEVRKOUWQY-FMKPAKJESA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H](C)C[C@@H](C)C(C)C	2069008074	DYWOUPZHHIPOGA-INMHGKMJSA-N	247.426	4.656	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccc(CCF)cc1	2070396579	BJPVXAKFKVMRJZ-AWEZNQCLSA-N	249.373	4.745	0	10	BJAE	
CCN[C@H](C=C1CCCC1)C1(C(C)(C)C)CCC1	2071935870	GJXDKLCNKFVHKR-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1([C@@H](N)C[C@@H]2CCC3(CC3)C2)CCC1	2071936453	NDJMKMHFNLHAHP-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@H]2CCCC23CCC3)CCC1	2071941628	VUDKYPKEDIJWHW-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(NCC2(C(C)(C)C)CCC2)c1C	2071948058	CGEPBTHAILODGB-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)C(C1CCC1)C1CCC1	2072428762	JAZNBCFKATYQLK-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CNc2ccc(C3CC3)cc2)CC1	2072796524	PHCIFPMASDIIRR-HDJSIYSDSA-N	243.394	4.802	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@]2(C)C=CCCC2)CC1	2072805327	BCNINGGAGFERHV-BHUNQDJPSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(C=C(C)c2ccc(N)cc2)CC1	2072821503	MIICUYWJMVNRDI-UHFFFAOYSA-N	243.394	4.889	0	10	BJAE	
CCCC1(CC(=O)C2CC3(CCCCC3)C2)CC1	2074596260	ZHKYHIZROYNFIG-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCCC1(C[C@H](NC)c2ccc(C)c(C)c2)CC1	2074635054	YECNFVIJXXUADR-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)[C@@H](C)c1ccccc1	2074779971	KDNXFSAQMOMMFB-WMLDXEAASA-N	245.410	4.648	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@H]2C2CCC2)CC1	2079329933	VKHSRVSMOTXKIA-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@H]1C[C@@H]1C1CCC1)C1CCCCCCC1	2079330589	ZAGMTYCNCMHPMS-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CCc1nn(C(CC)CC)c(Cl)c1C(C)C	2079599285	VCTRKCDFJALMMQ-UHFFFAOYSA-N	242.794	4.583	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1cccc(C2CCC2)c1	2079639286	HTFKITFNRDGAKM-GOEBONIOSA-N	243.394	4.802	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1ccccc1C1CCC1	2079639343	IAVDSWJWJRQTRP-HUUCEWRRSA-N	243.394	4.802	0	10	BJAE	
N[C@@H](C[C@H]1C[C@@H]1C1CCCCC1)C1CCCCC1	2079839069	PQONQDSCBUFGHC-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@H]1C[C@@H]1C1CCCC1	2079849886	BMURCCXKKVXPLP-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)C1CC2(C1)CC(C)(C)C2	2079851164	JUFSKRWCWXWKNM-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)C)c1cc(C)cc(C)c1C	2082925435	JQPOUYZHONXTOG-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CC[C@](N)(CC1CC2(C1)CC1(CCC1)C2)C(C)C	2083618049	UXHKWECKAACQND-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C1CCCCC1	2214584867	RYLCQGIGBXAKRN-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)C2CCCCC2)C1	2214766475	YJNVQFBPWDJCME-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](O)c1c(C)cccc1C	2216048323	JLHBQSAJFNZAGS-INIZCTEOSA-N	234.383	4.553	0	10	BJAE	
CC1=C[C@](O)(CCCCCCCC2CC2)CC1	2216898273	LKQJHGQTGNARCS-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)NCC1(CC)CC2(CCCCC2)C1	2217124167	FDNJMPVYIWCHBB-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC1(CNC2CCC2)CCCC1	2217154708	WKCYAGXGGJFUAT-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(OC[C@H]2C[C@H]3CCC[C@H](C3)C2)c1	2218328469	UBCKSEKUPDYDOC-MUJYYYPQSA-N	244.378	4.590	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218384474	DWGNHYALGYYINY-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1CC1(C)CC2(CCC2)C1	2221042686	ZDNGKPQQYMTGSN-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(OCC2(C)CC3(CCC3)C2)c1	2221074891	AYVUBYQKDRXOSE-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@]2(C)CC=C(C)CC2)CC1	2221622558	IHNBCSCVEVWTFD-PVAVHDDUSA-N	247.426	4.587	0	10	BJAE	
CC[C@@H](C)NCC1(C2CCCC2)CCC=CCC1	2223542413	QIWNBGMYFDDABX-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)c2csc(C)c2C)CC1	2246368619	MFZTWMMGYCDFNP-CABCVRRESA-N	249.423	4.501	0	10	BJAE	
Cc1scc(C(=O)[C@@H]2CCCC23CCC3)c1C	2246416701	SAVNOGSUTONEGL-ZDUSSCGKSA-N	248.391	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CCCCC[C@@H]1C[C@@H]1C	2248870347	LSPYNZZNVJXUJS-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)[C@@H](CC)CCC	2250360359	WUAFGCQBWGAYGJ-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CC[C@H](CN)C1	2250479614	WQWHLEGPJWBJQJ-HOCLYGCPSA-N	237.431	4.524	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)c2ccc3ccsc3c2)C1	2253094448	SOVXAYOMFAMPGU-PWSUYJOCSA-N	244.359	4.520	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(CC)c1ccc(F)cc1	2253416676	PVFJQWSEOXLMJP-CJNGLKHVSA-N	249.373	4.621	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@]23CCCC[C@H]2C3)C1	2253938406	LKVMABQXTNXVRV-PNBKFKSVSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@H](CCNC2(CC3CC3)CCC2)C1	2253951194	JOKKHEYFXKPVIW-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)C2(C3CCC3)CC2)C1	2254000366	DJZRHMWGVDJOMA-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](N)CCCCC[C@@H]2C[C@H]2C)cc1	2254526988	CEPSNHCELSEVFI-DJIMGWMZSA-N	245.410	4.601	0	10	BJAE	
Cc1cccc([C@H](O)CCCCC[C@H]2C[C@H]2C)c1	2254541509	AFIPTAARRSWKEB-HLLBOEOZSA-N	246.394	4.635	0	10	BJAE	
CCCN[C@H](CCCC[C@@H]1C[C@H]1C)C1CC=CC1	2254569170	NYHQPGAAUALHAI-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cccc(CC(C)C)c1	2259477671	KIMYDSUYBPNGCD-NVXWUHKLSA-N	247.426	4.711	0	10	BJAE	
C[C@@H]1C[C@H]1CC(=O)c1cccc(C2CCCC2)c1	2260660210	CSOVIHQDBXGKKT-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CC[C@H](C)C[C@@H](O)c1cccc(C2CCCC2)c1	2260662262	IODNTXSQTRMHBU-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)C[C@@]12CCCC[C@@H]1CC2	2260681992	FDPVINGHNBIASK-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)[C@H](NC)c1cccc(C2CCCC2)c1	2260724304	ZWSYCBWKDQRMNO-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2298722992	WSWWDARUHIXUDX-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@@H]1CCCC1(C)C	2300684922	ZBPLOTKRCICNED-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@]1(CN)CCC[C@@H](CC)C1	2300700688	NPOAYZDDTWBCLA-HZPDHXFCSA-N	239.447	4.748	0	10	BJAE	
CCC(CC)CC[C@]1(N)CC[C@H](C)[C@H]1C(C)C	2300705766	HYGIRCURHOXAKH-NUEKZKHPSA-N	239.447	4.602	0	10	BJAE	
CC(=CCNC[C@H](C)C(C)C)CCCC(C)C	2300870929	ZOASHRDDWWFWKE-INIZCTEOSA-N	239.447	4.641	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@H]1CC=C(C)CC	2300902056	QBLORUHKCKHNTL-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(C)(C)CCNC(C)(C)C	2301831616	FJYDPLCQOHMMLM-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1[C@H](C(=O)C2(C)CCCCCC2)CC1(C)C	2302135194	KGNNHDXBBLTRJQ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
Cc1csc(C(=O)CCCC2=CCCCC2)c1	2302358074	BYGNXODZDLMSLE-UHFFFAOYSA-N	248.391	4.910	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](O)CCCCC1CC1	2302578277	YDIYNHVYBJNPIO-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC)C[C@H]1CCC(C)=C(C)C1	2303595453	UFRGISSHUYMJMA-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCC(C)=C(C)C1	2303597242	OJSHIBXVHNVKHZ-JKSUJKDBSA-N	235.415	4.600	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)c2ccc(C)s2)CC1	2303600055	CEKLKCVIECQXDO-CYBMUJFWSA-N	248.391	4.766	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CC(=O)C[C@@H](C)C2)CC1	2303600682	LELIBAIOSUIFKD-NILFDRSVSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@](C)(O)CCC2CC2)C1	2304384855	QOINGRPKVITWHJ-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC[C@H]1CCC(C)(C)C1	2304435690	JZZDTZKITZYJQY-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@]12CCCC[C@@H]1CC2	2307896346	ZJMUIEGRZMAGFL-SQWLQELKSA-N	236.399	4.742	0	10	BJAE	
O=C(C[C@H]1C=CCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309181361	YNLYNFKGBXJHNP-VGWMRTNUSA-N	246.394	4.518	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H]1CC[C@@]2(C(C)C)C[C@@H]12	2310848441	CBAUKWSPSDYKAT-QZWWFDLISA-N	249.442	4.536	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)CC[C@@H]2C[C@H]2C)cc1	2311274559	KWRCHZQJUXXCQD-IXKJSCDLSA-N	246.394	4.670	0	10	BJAE	
CCC(C)=CC[C@@H](NC)c1c(C)cc(C)cc1C	2316507846	FWMYVFXSIIHMEY-MRXNPFEDSA-N	245.410	4.619	0	10	BJAE	
CC(=C1CCCNC12CCCCC2)[C@H](C)C(C)C	2317824358	QCGUVMYEBXUEIZ-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@](C)(F)c2cccc(N)c2)C1	2319114094	QFMKPLDBZBXFBD-LRDDRELGSA-N	249.373	4.670	0	10	BJAE	
CCC(CC)CC(=O)c1cc(F)ccc1C1CC1	2319168965	KQWSGMMFZGDROD-UHFFFAOYSA-N	248.341	4.712	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1cc(F)ccc1C1CC1	2319173786	MWZHRSMJGLNKRT-ZBEGNZNMSA-N	249.373	4.529	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CC[C@H]2C(C)(C)C)c1	2320258130	KFECTBGRFQFIES-DZGCQCFKSA-N	244.378	4.640	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCC[C@@H]2C(C)C)CC1	2320341331	TVWWKIRJMPIZGZ-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@](C)(N)C2(C)CCCC2)CC1	2320345437	AACZSCQHWOWQQT-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC(=C[C@H]1CCC(C)=C(C)C1)c1cccc(N)c1	2320348974	VPVDIRMNWYUXGM-HNNXBMFYSA-N	241.378	4.809	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC[C@H](C)[C@H](C)C2)CC1	2320415181	YFGOCZGMDAGHIW-RKTXRCNFSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)c2ccccc2F)CC1	2320416015	GSJZMSCEIHWBOR-CYBMUJFWSA-N	246.325	4.535	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)C(C)(C)C2CCC2)CC1	2320422856	JEEFXCHZHAUBNR-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@H](C)C2CCC2)c1	2320517609	QSNKZMJQAVUOLG-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCC(C)(C)C2)cc1C	2321600500	PLBRIDQSLYJGRO-OAHLLOKOSA-N	245.410	4.932	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)C2(C)CCCC2)c1	2327676527	YFJAAKYRCLYQES-MRXNPFEDSA-N	246.394	4.732	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCc2cc(C)ccc2N1	2328279356	VDPLQHIOWQLSDF-HOCLYGCPSA-N	245.410	4.938	0	10	BJAE	
CCC[C@@H](CC)C[C@](N)(CCC)c1ccccc1	2328281158	FWSGATSBPRYXJZ-NVXWUHKLSA-N	247.426	4.857	0	10	BJAE	
CC[C@@H](Nc1ccccc1)c1ccc(C)cc1	19879517	XGWGYPWZGSGRSU-MRXNPFEDSA-N	225.335	4.558	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)c1c(C)cc(C)cc1C	35547771	GEHLPDQBYIHCGF-SUMWQHHRSA-N	247.426	4.699	0	10	BJAE	
c1cc(CNc2ccc3sccc3c2)cs1	36975906	ZSFHYUCFESAPTF-UHFFFAOYSA-N	245.372	4.575	0	10	BJAE	
CCCCCC(CCCCC)NCC1CC1	37187321	IXCVXMPANDQSTH-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1cc(C)ccc1C	70977694	XJSIZSQSONYMII-LSDHHAIUSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2cc(F)ccc2C)C1	71154710	DDJMGLQRMZPOLH-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccsc2)CC1	85529064	MFUAQCMLLDSCJK-RYUDHWBXSA-N	223.385	4.519	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC[C@@H](C)C(C)C)CC1	86947489	DBVUQQZLDVYTNX-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](N)C1CCC(C(C)(C)C)CC1	87986997	FFIOQRRSHDNSPA-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CCC1CC1)C1CCCCCC1	88492772	IFVHZFUGJLIJKV-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CSC1(SC)CCC(C(C)(C)C)CC1	90556868	ZZSXTCMSVWXBFV-UHFFFAOYSA-N	232.458	4.645	0	10	BJAE	
CC[C@H]1CCC[C@@H](Sc2ccc(N)c(C)c2)C1	91939111	VYEZEPTZYBTQOZ-QWHCGFSZSA-N	249.423	4.638	0	10	BJAE	
CCC[C@H](C)C[C@@H](CNCC)c1ccc(C)cc1	93131770	BGLLLNTWHCSGFQ-RDJZCZTQSA-N	247.426	4.514	0	10	BJAE	
CCCCC[C@H](O)c1ccc([C@@H](C)CC)cc1	109785590	HVENFZIQALEFGF-BBRMVZONSA-N	234.383	4.814	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(CC)CNC1CC1	110211005	IRXBOWIMCSQTBZ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1ccccc1C	111817350	YILXHCDDVWSBLW-ZBFHGGJFSA-N	234.383	4.635	0	10	BJAE	
CCCC1CCC(N[C@H](C)C2CCCC2)CC1	112392363	SGBMUSSADYSWFS-VQCLRJIVSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)C(=O)c1cc(C)c(C)cc1Cl	122204948	JZKWNLPHTWXINU-SECBINFHSA-N	238.758	4.576	0	10	BJAE	
CCCCC[C@H](CCC1CCCC1)NCC	125387458	BHUSMBJSXUZRJQ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1ccc(CC)s1	132911001	PRUGMQHIDKBNHG-CQSZACIVSA-N	239.428	4.527	0	10	BJAE	
CC(C)CCC(=O)c1ccc(C2CCC2)cc1	157628702	ODRCVAGYPLRQCG-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CN[C@@H](CCC(C)C)c1ccc(C2CCC2)cc1	157635086	VAFPZHSEIFIGQH-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCC[C@H](C)C[C@H](CC1=CCCCC1)NCC	161342871	BTKNGWYHUIDHSP-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCc2ccc(C)cc21	163409925	AKKDTMBLFOEYJU-YOEHRIQHSA-N	245.410	4.541	0	10	BJAE	
CC(C)NC[C@](C)(CC1CCCCC1)C(C)C	164378419	YGQFOWUUJAHKTG-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1[C@H](O)[C@@H]2CCCCCCCCCC[C@@H]12	225153972	RRZWBPBDTAGFHB-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCc2occc21	226005358	ZMVAMBVCKKKJCL-DZGCQCFKSA-N	249.398	4.606	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](N)C1CCCCCC1	226878980	MMEMVDOEBUPOPE-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C1CCCCCC1	229151007	AIPITZRKGSQJGG-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](c1cc(C)cc(C)c1)[C@H](C)CCC	229498548	XXBOGCRIYXRILT-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
C[C@@H](CC1CC1)Nc1cccc(Cl)c1Cl	229672473	ZWNGAPHUORGTBH-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
CCN[C@@H](c1ccccc1C)C1(C)CCCCC1	233563727	STZPGXROCOQURO-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)c2c(C)cccc2C)C1	234088187	LJSDXFKESOJJJY-YQQAZPJKSA-N	245.410	4.520	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@@H]2CCCC[C@H]2C)c1	251091000	WOMMNEQBZVKCBM-HLLBOEOZSA-N	245.410	4.533	0	10	BJAE	
CC(C)(C)CCCn1ccc2ccc(F)cc21	302340009	UVFNAGAPMIDQIQ-UHFFFAOYSA-N	233.330	4.607	0	10	BJAE	
CCC(CC)(CC)CN[C@@]1(C)CCCC[C@@H]1C	308722949	QUXOTLRKEDEZRU-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1CCC[C@H](C)C1	309430565	JKALCQNCUNSNGX-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](CC2(CC)CCC2)C1	310106220	CXPQDYYFMQLOMR-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCC[C@H](C)CC2)CC1	310296524	AQGINBUZNXWLSR-SLTXQBBLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCC1(C)C)C1CCCC1	313417026	MQKYKTAOPINGHM-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)C)CCC[C@@H](C)C1	317011174	AACPZJXURYWUOM-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](CNC(C)(C)C)CC(C)C	319433248	QFBADVDEEOBMTA-ZNMIVQPWSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](Nc1ccc(SC)cc1)C1CCC1	322660093	FSJRVSDOVZMTIP-OAHLLOKOSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C2CCC2)C2CC2)CC1	324711701	WQYMNAVVGCIVTN-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(Cl)c(OC2CCCCCC2)c1	380793551	FVAKRGVNFCFLSG-UHFFFAOYSA-N	238.758	4.750	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)c1ccco1	383206399	BACFPCIPJYLWSM-CQSZACIVSA-N	237.387	4.537	0	10	BJAE	
CC(C)CCCCCNC[C@H]1CCCC[C@@H]1C	383222485	FUCCFWCZMTWKFY-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CCC[C@H](C)C1)NC	383486715	BSATWDAOUFYHED-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]([C@H](O)CC1CCC(C)(C)CC1)C(C)(C)C	383614203	TZNMUXUFQSLTLZ-GXTWGEPZSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(CC2(C)CCCC2)C1	383715212	XLFNSRATCADCGH-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCNCC1(CC2(C)CCCC2)CCCC1	384062790	YJEKBBLPSINZKS-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C1=CC[C@@H](CNc2cccc3ccsc23)CC1	386266100	XJBQXDMFHAWBCZ-GFCCVEGCSA-N	243.375	4.670	0	10	BJAE	
CCc1cc(C)c2ccsc2c1C(F)F	396217775	GOJLQCPCLLGZCT-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
C[C@@]1(Nc2ccc3ccccc3c2)CC=CCC1	398366274	NSYOWNWKUJYEFE-QGZVFWFLSA-N	237.346	4.751	0	10	BJAE	
CCCCC/C(=C/c1ccccc1)CNC(C)C	606206186	PLPQYDAYKDNROI-LGMDPLHJSA-N	245.410	4.648	0	10	BJAE	
CCC1(/C=C(/CNC(C)C)C2CCCCC2)CC1	687558266	QMEJEGIUSIBXGL-VBKFSLOCSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@H](N)CCCC1CCC1)CC(C)(C)C	688367547	GHPDGNXNWWJLIT-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCc1ccc(N[C@H]2CCCCC[C@H]2C)cc1	691068933	CJKGXKNAMHCROC-CJNGLKHVSA-N	231.383	4.630	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@]12CCCC[C@@H]1C2	693247027	TXAGMORUQLPHKQ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CCC12CCCC2)c1ccsc1	693888197	PFHNVOVXKYECTQ-UONOGXRCSA-N	249.423	4.512	0	10	BJAE	
C1CCC(CCCN[C@H]2CCCC[C@@H]2C2CC2)C1	696107320	UUUVMHRETXIRCW-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccc2c(c1)CCC2	696560392	OSYBIISYMJFHRU-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C[C@H](C)C(C)(C)C	696642936	BTOKEQUGUSYQFP-QWHCGFSZSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2C[C@H]3C=C[C@@H]2C3)cc1	698783744	KWBGMAAHIVLIGI-CXUGXGMPSA-N	241.378	4.577	0	10	BJAE	
O=C1[C@@H]2CCCCCCCCCC[C@H]2C12CCC2	700930427	XHHRZTGZPQQPRX-HUUCEWRRSA-N	248.410	4.886	0	10	BJAE	
CC[C@@](C)(CCCC1CCC1)CNCC(C)C	701546050	AUGSYOGOGZNWRS-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@H](C)C1CCCCC1	703963514	MYUHHUSKSBVKHF-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCCNc1ccsc1Cl	703973750	CHZOAELAULQJPZ-UHFFFAOYSA-N	231.792	4.640	0	10	BJAE	
CCC[C@](N)([C@@H]1CC[C@@H](C)[C@H](C)C1)C(C)(C)C	704909672	BANXLOBSQWELOE-KQTLUZQSSA-N	239.447	4.602	0	10	BJAE	
CCCCCC(CCCCC)NCC[C@@H](C)F	705782168	XGQZRMIQJCOSAD-CQSZACIVSA-N	245.426	4.853	0	10	BJAE	
CCCC[C@@H](CC)C[C@](N)(CC)C1CCCC1	707636920	OTYFRTFBARILCB-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@]23CCCC[C@H]2C3)c1F	709125704	IGXGRSHSWPQNHG-DVOMOZLQSA-N	247.357	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccc(C3CC3)cc2)C1	709683725	KINVDCJZBHAUJV-BLLLJJGKSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H](C)CC1CCCCC1	709771309	ZKNGNDRWXWHWEJ-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2csc(C)c2)CC1	710758092	JIDTWWXFJCYOHE-CHWSQXEVSA-N	237.412	4.827	0	10	BJAE	
CC[C@@H](C[C@H](N)CC1(CC)CCC1)C(C)(C)C	711115470	XKIICBBKUWMFEF-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)[C@H](C)C(C)(C)C	711120236	KUQGKRXOBRHWGC-HZSPNIEDSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](C[C@H](O)CC1(C)CCCC1)C(C)(C)C	711179655	LTDPPXUDSPLZJO-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NC[C@H]2C=CCC2)CC1	711687486	SHULBRLHCCGJES-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@H](C1CCCC1)C1CCC1	711830619	FFVBOFSOVMCIKS-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H]3CCCC[C@@H]32)cc1Cl	712393090	WHTRYAGEDQZCHH-CORIIIEPSA-N	249.785	4.639	0	10	BJAE	
C=C/C=C/CCC(=O)C[C@H](C)CC(C)(C)C	713655507	IXTMBILUDDMBCD-GWJCSSMESA-N	222.372	4.540	0	10	BJAE	
C=C/C=C\CCc1cccc([C@@H](C)CC)c1O	713681244	YQXAGJYVMVXSIC-FWWRYZNZSA-N	230.351	4.581	0	10	BJAE	
CCCCc1ccc(NC[C@@]2(C)CC2(C)C)cc1	717033774	LERWUDMFVONILL-QGZVFWFLSA-N	245.410	4.877	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CC1=CCCCC1	718528812	SIIGKJMPZPVSFP-QGZVFWFLSA-N	249.442	4.992	0	10	BJAE	
CC(C)=C(C)CCC1(CNCC(C)C)CCC1	718785448	FGAKXEMKQUGCLY-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2CC(C)(C)C2)C1	723532540	LBIYXZMHTFQSKK-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
C1=C[C@H](SC2CCCCC2)CCCCC1	1188310228	WSEORLGVKSEZQY-ZDUSSCGKSA-N	224.413	4.941	0	10	BJAE	
CC[C@@H](NC1CCC(CC)(CC)CC1)C1CC1	1462173703	GOFHRHJGQYZQTG-OAHLLOKOSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)c1cc(C)cc(Br)c1	1889494021	OPNJABZLEQGMSJ-UHFFFAOYSA-N	241.172	4.661	0	10	BJAE	
CCCC[C@@H](N)CC=C(C)CCCC(C)C	1900845860	SKIBABRUTYNULJ-OAHLLOKOSA-N	225.420	4.667	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)CCC=C(C)C	1905379378	ABPHIRHDLRDTCR-HUUCEWRRSA-N	226.404	4.700	0	10	BJAE	
C=CC=CCCC(=O)c1ccc2ccccc2c1	1912108140	BYFLABXLBHKJHB-UHFFFAOYSA-N	236.314	4.545	0	10	BJAE	
C=CC=CCC[C@H](NC)[C@@]1(C)CC[C@H](C)C1(C)C	1912110852	LJQAVSLIKIZMEB-YQQAZPJKSA-N	249.442	4.559	0	10	BJAE	
CCCCCCC1(CNC)CC2(CCCC2)C1	1912563685	LOVVAXYRVVNIMQ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C1CC2(CCCC2)C1	1912594186	CNIJYJNCSGEYEQ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CNC)C=CCCC1	1916565734	UGDPYIFSQXYXCG-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC1CCC([C@@H](N)[C@H]2CCCC23CCC3)CC1	1921586341	NBNYCLFFUUNRPQ-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)[C@H]1CC[C@@H](C)C1	1925944445	DWUFQAIXUCJGMP-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCNc1ccc(Cl)cc1F	1926131552	GQNGMMDISNDUIQ-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cccc(C)c1Cl	1939408027	RKVSUUBTXLBLCU-LBPRGKRZSA-N	237.774	4.639	0	10	BJAE	
Cc1cc(Cl)cc2c3c([nH]c12)C[C@H](C)C[C@H]3C	1941015984	LGQYLAKSLFIUCJ-RKDXNWHRSA-N	247.769	4.816	0	10	BJAE	
Cc1ccccc1C(=O)CCCCCC1CC1	1941584356	OAMYCQZRWGRYKX-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C(C)(C)C(C)C	1944617912	HOOXNBIFFGLTBK-HNNXBMFYSA-N	234.383	4.526	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@@H]1CCCCC1(C)C	1944791017	QPSWGFHBQGANFU-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)N[C@@H]1CC[C@H]2CCC[C@H]2C1	1945311278	LZHOGHJKPXMYDS-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)[C@H]1CC1(C)C	1945829378	URUZFDMHEMHTFN-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCC[C@H](F)C1	1946965025	SLBHSIIMAVXBLV-IHRRRGAJSA-N	242.378	4.690	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CC[C@H](C)[C@H]1C(C)C	1947466501	JLQNUGWFXHRALN-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
NC1(c2sccc2C2CC2)CCCCCCC1	1947545713	GWCOFYHXNHOKAG-UHFFFAOYSA-N	249.423	4.524	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)C[C@H]2CCCC[C@@]2(C)C1	1948595724	JMOSHOLLZUEWGQ-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC1CC(C)(C)C1)CC(C)C	1948845552	BFSRCJDFLVMGCB-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CC2(C)CCC2)CC1	1948968090	RDVOXBWLBXSMJX-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C(=O)[C@H]1CCC2(CCCC2)C1)C(C)C	1949502709	XMQNDTIQCVIQJT-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CC1CC(C)(C)C1)NCC	1949735902	IQLYBAHKONMHQG-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1CCCC(F)(F)CC1	1950013724	CFZQSYJFKCXBPC-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@H](CNC[C@]2(C)C=CCCC2)C1	1966038548	VKGIZBXONVIFBP-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](N[C@H]2CCCC3(CCCC3)C2)C1	1967856106	QHTIOCQXADTWCR-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1N[C@@H]1CCCCC12CC2	1972742815	ITRMOEQKYAOVEE-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)c1cc(C)cs1	1978524408	IPFVCYILMWTYIQ-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCCN(C[C@H](C)CC(C)C)[C@H](C)CC	1978895606	CCGOQBYIEGFFFK-HUUCEWRRSA-N	227.436	4.569	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)CCC1CC1	1990099621	WXBUKXDQVZVXAA-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H](C)C2(C)CCCCC2)C1	1995990498	HYMVMWYBDSCABW-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](O)[C@H]1CCCC2(CCCCC2)C1	1996647189	JDVKSJXAKVJCLR-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)cc1NCC12CCC(CC1)C2	1997006583	SGCKMJULYZTCMZ-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
CCCCC[C@H](NC)[C@@H]1CCC[C@H](CC)CC1	1997113484	BHWDKPDEHZOMJL-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)C[C@@H]1CCC=CCCC1	1999981655	QFMJDWPYFVPIKT-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)[C@H]1CCCC(C)(C)C1	2000062715	OEXMSMYYQLOWKO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(O[C@H]2CCCC(C)(C)C2)cc1C	2000106961	RMVFCJQHSLLYCW-HNNXBMFYSA-N	232.367	4.651	0	10	BJAE	
CCCC[C@](C)(CNCCC)CC1CC=CC1	2000517985	JNWLGEBSDVLTIY-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](C)NCCC)CC1	2003069323	WNJURZPLXQNJII-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)[C@H]1CC[C@H](C)CC1	2003104552	WKXVIEWWENKMKA-KLHDSHLOSA-N	240.431	4.780	0	10	BJAE	
C[C@H](C[C@H]1CCCCCCC[C@H]1O)C1CCC1	2003110309	CIUISURBUJWKOH-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
O[C@H]1CCCCCCC[C@H]1CC1CCCCC1	2003117364	NNFCAEHCSFMZJA-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H](C)c2ccc(C)s2)CCC1	2006913442	HFWSAQROBSAKKP-KGLIPLIRSA-N	249.423	4.596	0	10	BJAE	
CC1=C(C)[C@@](O)(C2=CCCCCCC2)CCC1	2006954219	RJJRAKFUQDPBCU-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)C1(C)CCC(C)CC1	2007695787	WMXTZMIXIXLBFM-PYBGIAKNSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCC1(C)CC1)NCC	2009550301	ZDLLRBLPNCDOPO-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC=CCCCCc1ccc(C(F)(F)F)cc1	2009589203	NSUZKBBCHOXXJA-UHFFFAOYSA-N	242.284	4.994	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@H]1CCCC[C@@H]1C	2013265662	YIRBFMRTTVCSBQ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCCC(C(C)C)C(C)C)NC	2015356330	FVBUXRUQJKGRFC-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H](NCC)C1(CC2CC2)CC1	2015750349	JSYKWDRRVGWPNC-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](NCCC)C1(CC(C)C)CC1	2015754139	ANTKNNXURAMXKE-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)C[C@@H](C)C1CCCCC1	2016111794	HWMQDZXKQMGHSH-VNQPRFMTSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H]1CCC(C)(C)C1	2017485080	CBZFURZDFPVSFO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](O)(C[C@H]1CC[C@H](CC)CC1)C1CC1	2017652418	GOZLVEZQTQIDEJ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C)C[C@H](C)CC)CC1	2017653739	WYUMZYZVVNMOBS-BZUAXINKSA-N	239.447	4.571	0	10	BJAE	
CCC1CCC(N)(C[C@H]2CC[C@H](C)CC2)CC1	2017721971	MLZGUDSOKYYAGR-OIBGERBOSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1C[C@H]2CC[C@H](C2)C1	2018080824	SPJLOFWLATYVPG-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](CC)NC1CC2(CCCC2)C1	2018134422	OMMQSBBBSAZRGZ-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCCC1(C[C@@](O)(CCC)[C@H]2CC2(C)C)CC1	2018965184	OVAFEHXCCLZYPI-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCN(C)CC1(C)CC(C)(C)C1	2019381220	BQJYSSZQTOLPRL-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCc1cccc(NCc2cc(C)c(C)s2)c1	2019923713	UNSYIAZGIWFOFA-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCC[C@H](CC[C@H]1C[C@@H]1C(C)(C)C)NCC	2022500084	WECUVIHUJVDYHN-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCCCC(C)(F)F)c1ccc(N)cc1	2023295354	DXOUCIMKLRYYMV-LLVKDONJSA-N	241.325	4.588	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](C)[C@@H]1CCC(C)(C)CC	2024512028	ALXOOIYDXFADDQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1C[C@](C)(F)C1	2026078262	BNGFSMXWXGQTGQ-YDHLFZDLSA-N	242.378	4.690	0	10	BJAE	
CC=C(C)[C@H](CC[C@H](C)CCCC)NCCC	2026080076	DEHRXIFGRKUYJS-ZBFHGGJFSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1ccc(C)cc1	2026081713	MATQOFNWQYMTDR-CYBMUJFWSA-N	232.367	4.784	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@@H]1CCC[C@@H]1C	2026170737	SAOMMDPPGIXGOG-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1[C@H](C)CC[C@@H](C)[C@H]1C	2027792382	DHVFLZGUZCFJOL-DSZLRUIBSA-N	249.373	4.617	0	10	BJAE	
Cc1ccc(F)c(C(=O)CCC[C@H]2CC2(C)C)c1	2027843771	SZXXVLJKBCFACY-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@H]2CCC[C@H]21	2028787349	RJLWKERNZDGBEC-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)C1(C)CC(C)(C)C1	2029110703	WWLFVWYHMDPMBZ-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCCCC1)[C@]12CCCC[C@H]1CCC2	2031848386	DQTZXMKFNPIJOD-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)c1	2034260321	DJXIORSNZUYGND-UHOFOFEASA-N	247.357	4.515	0	10	BJAE	
CCc1occ(C)c1C(=O)[C@H]1CCC[C@H](CC)C1	2035538063	LJCHUGZMXWESDK-STQMWFEESA-N	248.366	4.550	0	10	BJAE	
CC(C)=C(C)CCN1CC[C@@H]2CCCCC[C@H]2C1	2036503581	UOEBSRJEXVFSPU-IRXDYDNUSA-N	249.442	4.635	0	10	BJAE	
N[C@]1(C2=CCCCCCC2)CCC[C@H](C2CC2)C1	2037074227	GRZPFYNDFCZSBO-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC[C@](N)(C2=CCCCCCC2)CC1	2037074574	SJGRISAXOXLQAN-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCCCCC[C@H](N)c1c(C)oc2ccccc12	2037099490	UJGQFPWTNDAEQN-AWEZNQCLSA-N	245.366	4.711	0	10	BJAE	
CCC1(CC2(N)CCC3(CCCC3)CC2)CCC1	2037103650	DKVFUZBCICDNHJ-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@H]1CC12CCCCC2	2039057341	DXOCUXASWRZBBD-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@]1(C[C@H]2CC23CCCCC3)CCCN1	2039089458	SVNCKFHGHKEWET-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCCC1)NC[C@H]1CC12CCCCC2	2039092093	NBVILOJDZCDRES-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CCCCCC1CC1	2039443309	ZJHAQZLTAUKINO-UAGQMJEPSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)C[C@@H](N)C1CC2(C1)CC1(CCC1)C2	2039461631	IEYMEYBNXIHINT-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)Cc1c(C)cc(C)cc1C	2040718645	DKGVCXQYWDEGMI-UHFFFAOYSA-N	246.394	4.550	0	10	BJAE	
CCCN[C@@H](C)C(C)=CC1CC2(C1)CC(C)(C)C2	2040970625	INHDQMALFZQERF-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCCC3(CCC3)C2)[C@@H]1C	2041291218	XLALFVNIOJAMGY-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1ccc([C@H]2C[C@@H]2C)o1	2045559231	VAPBEAFGIHUMRA-RYUDHWBXSA-N	248.366	4.658	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H](C)c1ccccc1	2045596049	LZOBKHIXTWAPDB-AWEZNQCLSA-N	246.394	4.966	0	10	BJAE	
N[C@H](C1CCCCCCC1)C1[C@H]2CCCCC[C@H]12	2049200333	HLOXOSXPMUMOTD-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCCC1=O)c1ccccc1	2049705836	WJWAXLQAQOGSNX-ZBFHGGJFSA-N	244.378	4.720	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CCC2(CC2)C1)C1CCCCC1	2049849638	RTRCWDLFKQKAGM-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@](CN)(CC2CCC3(CC2)CC3)C1	2049852681	HRWLGJBUNOPXEL-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CCCC2(CC2)C1)C1CCC1	2049867392	UUMCMXJSCZGYNF-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@]1(CN)CCCCC12CC2	2053410157	IZJRHOLBUHPHKE-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
N[C@@H](C1=CCCCCC1)[C@@H]1CCCCC12CCC2	2053412699	QFEBYVVOKSYHFC-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC(C)=C(C)CCNCc1ccccc1C(C)C	2053921201	HTASRUVTQAYRTF-UHFFFAOYSA-N	245.410	4.646	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@H]2CC=CCC2)CC[C@H]1C	2055589093	SOEGEIKHARUKJP-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@@H]1Nc1ccc(CF)cc1	2055668260	TZZGTKCGYRSMBU-VBNZEHGJSA-N	249.373	4.639	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@H]1CCCC1(C)C	2056875096	CSLHNRUFFBLSEY-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H]1CCC[C@H](CC)C1	2056879177	QRDKWFBKNXFUKX-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C1(C)CCCCC1	2056885204	XOSHWJYHQZWJRQ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC(C)[C@]12CC[C@](N)(CCCCCC3CC3)[C@H]1C2	2058569886	NFCDOVPCQIOBMY-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2059195128	DGZDCBAEUMHBJJ-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CCCC[C@@H]1NCC[C@@]12CCCCC21CCCC1	2059472255	HTDKYIZVFFUEHQ-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CCC1CCC([C@@H](NC)C2=CC[C@H](C)CC2)CC1	2060924903	HLGIWXKXWNRLLV-DXCHVLGVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@@H]2CCCC[C@@H]2C)CC1	2061080765	JUNMULBJWBETJZ-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@]2(N)CCCC2(C)C)CC1	2061112803	JGAHELCSSGCDTM-CXAGYDPISA-N	249.442	4.667	0	10	BJAE	
N[C@@H](CC[C@@]12CCC[C@H]1C2)C1CCCCCCC1	2061601993	KZZIFGYPOQIBNJ-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CC(=O)CC3(CCC3)C2)C1	2063717069	YYZBYNLSDQTAOV-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]([C@H]2CCC3(CCCC3)C2)N1	2066374680	BUSYKICYLZUEOK-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC=C=CCCNCC1CCC(C(C)(C)C)CC1	2067326219	WYDTVQWGWVQINT-UHFFFAOYSA-N	249.442	4.550	0	10	BJAE	
CC(C)(C)CC1CC(N)(CC[C@]23CCC[C@@H]2C3)C1	2067983767	XYONRVVQUHBIDV-HTUOJYHCSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1C[C@H]2CC[C@@H]2C1)C1CCCCCCC1	2068772774	QTWYZUSNUXAVBI-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2069288356	GINQDPNOBUESJK-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CC(C)=C[C@H](C)C2)CCC1	2069339556	KSYJNCMQYDWHRH-IMJJTQAJSA-N	249.442	4.667	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1[C@@H]2CCCCC[C@@H]12	2070304106	LSSMMVRJDSNMGF-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CC2(C(C)C)CCC2)c1	2071896905	JBKUHMXFKSBEMF-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)C23CCC(CC2)C3)CCC1	2071920721	ZEISXPSJNVLNSU-NPCAHTBFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1NCCC1=CC1(C(C)(C)C)CCC1	2071947445	ADQZVJVMAXVDIB-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C[C@H](N)C2(CC3CC3)CCC2)CCC1	2071952279	BEJTXSCJBYZKAH-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](C)(NC[C@H]2CC23CCCC3)C1	2072608922	SHCDKPSRJYKUJX-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCC[C@@H]3CC[C@H]32)CC1	2072794042	PTIHNAJTWOESTM-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C2C[C@H](CN)C2(C)C)CC1	2072821041	KGSWUBUMGIVBEX-ZBCRRDGASA-N	249.442	4.524	0	10	BJAE	
Cc1ccc2ccn(C[C@@]34CCCC[C@H]3C4)c2c1	2074091091	NPOKJXVMKNVZHF-RDJZCZTQSA-N	239.362	4.530	0	10	BJAE	
CCCC1(C[C@](O)(CCC)c2ccccc2)CC1	2074619099	MUYZAIRIENUTBO-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
CCC(C)(C)CCN1[C@H]2CCC[C@H]1CC1(CC1)C2	2075200764	LKYMBCWRPKIEPF-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2075565766	SHIZQZOJMCJMEA-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
c1ccc(C2CC2)c(NCC[C@]23CCC[C@@H]2C3)c1	2077265489	UVOYDVCVEDEECM-PBHICJAKSA-N	241.378	4.556	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2C[C@H]2C2CC2)CCCC1	2079328793	NVHFHOJHJOQYJF-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1ccc([C@H](C)CC)cc1	2079476629	RLPZLGVQLZCCLR-DAXOMENPSA-N	244.378	4.819	0	10	BJAE	
O=C(C1CCCCC1)[C@@H]1C[C@@H]1C1CCCCCC1	2079490686	DFQFYSSIKPQKDU-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2C[C@H]2C2CCCC2)C1	2079492212	PDEBOAGBXJRSFW-BFJAYTPKSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1ccc(C(C)(C)C)cc1	2079654959	FLXAYFGNANQODK-KBPBESRZSA-N	245.410	4.832	0	10	BJAE	
N[C@@H](CCCC1CCC1)[C@@H]1C[C@@H]1C1CCCCC1	2079839367	SNYSYNJXPFPIBG-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)c1cccc(C2CC2)c1	2079842249	NICRCFNKKUKHJB-XJKSGUPXSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H]1CCCC[C@H]1CC	2080252147	MHZFSOIDTGTKAP-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)C(=O)c1ccc2c(c1)CCC2(C)C	2082273374	MXQGREQOESOYHO-UHFFFAOYSA-N	244.378	4.529	0	10	BJAE	
CCC1(CC)C(=O)[C@@H]2CCCC3(CCCCC3)[C@H]21	2083253054	NYVPXIVXRGXHKA-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C(=O)c2cccc(C(C)(C)C)c2)CC1	2083550258	LRGOREUTRPSZBE-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CC1(C)C[C@@H](N[C@@H]2CCC23CCCCC3)C1(C)C	2084368467	PLIJMRJGKUDMTJ-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CCCCC1CC1	2211113398	SYLCZIGEVWNNFR-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](C)C(CC)(CC)CN[C@H](C)CC	2212597112	LVOGAYZEPXHKFS-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC1([C@H](O)CCCCCCC2CC2)CCCC1	2213575791	JHFLCVIBCIXYAV-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CC[C@@H](CCCCCCC2CC2)[C@@H](C)N1	2213576300	OMJRXYVVOQKVBC-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CCC[C@H]1[C@H](N)CCCCCCC1CC1	2213576605	RWPWAEDJSSJRFY-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H](N)C2CCCCC2)C1	2214777370	RDSOGZVUEYCDFW-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC1(C)CC(C)(C)C1)CC(C)C	2215396270	QVEDNRDVRPUVLC-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@@H]1C)C(C)(C)CCC	2216279862	QDDFXTTYNSSPMR-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218333647	RQCAEPZVPPNQAE-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1CCCC1)C1C[C@H]2CCC[C@H](C1)C2	2218346699	QUVMKCZFWQLXLT-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC1(CNCCC2CCCCC2)CC2(CCC2)C1	2220935571	KWDXKEZNZJXSMJ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)C1(C)CC2(CCC2)C1	2221001367	HQVUAFRYFRSPGU-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(CC2(C)CC3(CCC3)C2)C1	2221026281	UJQCVUAVSJMHOA-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(NC[C@@H]2CCC=CCCC2)CC1	2221598369	AUOPRNGVZDIJIX-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2C=CCCCC2)CC1	2221638229	ORYFPZYJPYTMOW-NVXWUHKLSA-N	246.394	4.829	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC23CCC(CC2)C3)CC1	2221646333	SKBRNOJKGHAKEC-ARWYELJZSA-N	246.394	4.662	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CCCC[C@@H]2C)C=CCC1	2223594031	KGMVYUONADFQNS-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC(=O)CCCCCC[C@@H]1C[C@H]1C	2243923144	URVSEFBAUVICKU-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(C)c(NCCCC[C@@H]2C[C@H]2C)c1	2247116228	NWRGRGAAMNCSGV-HUUCEWRRSA-N	231.383	4.542	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1(O)CCC(C)(C)CC1	2247116685	AWFROWKNFIIJDB-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(CCCC[C@@H]1C[C@H]1C)C1CCCC1	2247175745	KTOGRWHQSPKJDU-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CCC1(C)C)NCCC	2247414523	LUFOFEAGWHEFOJ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@](C)(N)C1(C)CCCCC1	2247435777	VQAVPCNYSCLUQC-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](O)CC1=CCCCC1	2247515396	XVJKYAZOTOZEQA-CVEARBPZSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC(C(C)(C)C)C(C)(C)C)C1	2247750659	MNLOFDAKIUBSDE-CHWSQXEVSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)N(C)CCCCC[C@H]1C[C@H]1C	2248836877	BPBLAVPLPASEMP-PMPSAXMXSA-N	239.447	4.713	0	10	BJAE	
CCCC1CC(Nc2cc(C)c(C)c(C)c2)C1	2249497860	ZHCJOEOHCDAAPI-UHFFFAOYSA-N	231.383	4.602	0	10	BJAE	
CC(C)CCCCCN[C@]12CCCC[C@H]1CC2	2251143850	ZWJDZPIKWUDHDX-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)N[C@@H]1CC(C)(C)CCC1(C)C	2251664081	GOCMPYBLULVFJT-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CC(C)(C)CCC1(C)C	2251678763	OCBUNPLHVQZFRC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC1(C)CC(C)C1)[C@@]1(C)CC=C(C)CC1	2253769890	FQXQNFSJESIATI-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@H](N)CC[C@H]1CCCCC12CC2	2253843868	NHVPDVJPNFZRCW-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)C=CCCC2(C)C)C1	2253938032	YSAJNIRBXYMVNP-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)CC[C@@H]1CC1=CCCCC1	2255090854	DRCFTCVZBZNDBQ-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC[C@@H]1CCCC12CC2)C[C@@H]1CCCCN1	2255257816	GOEGCAPYGDPCRB-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(C[C@@H](N)CC[C@H]2CCCC23CC3)C1	2255275460	JKMPVVRONRWEMZ-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(C(=O)CC[C@H]2CCCC23CC3)CC=CCC1	2255310082	DWWCURLSHDWUMR-GDBMZVCRSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)CC[C@@H]1CCCC12CC2	2255333648	XATXFIBDXAWQJS-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1cccc(C(C)(C)C)c1	2257947710	QWUXEPXJBVXALH-XJKSGUPXSA-N	245.410	4.975	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1cc(C2CC2)ccc1F	2259127622	UNHVXMABASNFTA-GFCCVEGCSA-N	249.373	4.940	0	10	BJAE	
CC(C)CCC[C@H](C)CCn1ccnc1C1CC1	2259608070	OPMRGVPEVIQXPP-AWEZNQCLSA-N	248.414	4.613	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@]12CCCC[C@@H]1CC2	2260491865	XBTFVTQYKFAWRZ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@]12CCC[C@H]1CC2	2260492336	QTBVCHSKCYBJMN-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@]12CCCC[C@@H]1CC2	2260525360	UTITXQMTODQBTD-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2260657854	LFEDGBQRDITBNH-NCOADZHNSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1CCC(N)(C[C@]23CCC[C@H]2CC3)CC1	2260667312	CDXGUKQGNQAATB-VUROTCPHSA-N	249.442	4.501	0	10	BJAE	
CC(=CC[C@H](N)CC(C)(C)F)CCCC(C)C	2300938480	YRHZEWHFUDNSOF-AWEZNQCLSA-N	243.410	4.615	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1Nc1cc(C2CC2)ccc1Cl	2300941303	CASOWOIFCSULQH-RTUWITSCSA-N	249.785	4.674	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)[C@H]1CCCC(C)(C)C1	2301699429	YGHXDLXDCZSRRT-ZNMIVQPWSA-N	239.447	4.568	0	10	BJAE	
CCN[C@H]([C@H](C)[C@@H](C)C(C)C)C(C)(CC)CC	2301824612	FHACDGDVJYMNLI-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@H](C)[C@@H](C)C(C)C	2301962792	WLGLPBXEGKTEOA-ZJIFWQFVSA-N	241.463	4.704	0	10	BJAE	
CN[C@@H](CCCCC1=CCCCC1)CC(C)C	2302361986	UCWXOZSONFBRAW-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC=C(CC)[C@H](CCC[C@@H]1C[C@H]1C)NCCC	2302607838	CRVHJRWQPNDYLQ-BMFZPTHFSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CC[C@H]1C(C)(C)C	2303495488	MUUDUTXGHZUFKZ-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@@H](CC[C@@H]1C[C@H]1CC)NCCC	2303576286	VJIJYVKRTXTERG-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)C12CCC(CC1)C2	2307873300	FBXVYAXBVXKHBR-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2CC[C@@H]3C[C@@H]3C2)C1	2309163311	CYUDZTKWHVEYEA-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)C[C@@]12CCCC[C@@H]1C2	2311147623	JQBVFWCIJUPOLZ-HDEZJCGLSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@@H]1CC[C@@H]2C[C@@H]21	2312595248	AEJNQSMLAZDURF-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)[C@@]12CCCC[C@@H]1CC2	2313312705	WDUZOUYFWCGDJU-QSJFSLAZSA-N	248.410	4.742	0	10	BJAE	
C[C@@]1(C(=O)C(CC2CC2)CC2CC2)C=CCCC1	2313623703	JWTPCKXFZNJKLU-QGZVFWFLSA-N	246.394	4.518	0	10	BJAE	
CCc1cc([C@@H](O)[C@H](C)CC(C)(C)C)ccc1C	2314696556	FYXJCMAHSPRYHQ-CJNGLKHVSA-N	248.410	4.663	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CC1C[C@H]2C[C@@H]2C1	2316504284	UGSIETLHKWFRNW-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@@H]1CCCC1=CCCCC1	2318537478	FPFKHOVVVJOUDE-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@@]12CCCC[C@H]1C2	2318586982	OTDQZIHQHMPADX-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)C[C@]12CCC[C@H]1C2	2318592819	MUQCBQFPCGVPJE-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
CC(C)c1cccc([C@H](N)CCC[C@@H]2C[C@@H]2C)c1	2318939010	PCCIDMHYJVNMEQ-YSVLISHTSA-N	245.410	4.636	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1CCCC[C@@H]2C[C@H]12	2319458187	GZHWDXISLYJKDD-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@](CCC(C)C)(CNC2CC2)CC1	2320267533	GBYDQIVJKALWIS-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)C2CCCCCC2)CC1	2320341895	YATWCXBDJAIDJM-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC[C@]1(C[C@@H]2CCC(C)=C(C)C2)CCCCCN1	2320348255	OQWWJWJTAVXUKR-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CCC23CCCCC3)CC1	2320393035	BDVIBUNIPICUQD-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@]1(C)C[C@@H]1C	2320402358	RGYVCAARTMEPIZ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC12CC(C3(N)CCC(C)(C)CC3)(C1)C2	2321585444	XTUABCMEWZMAAV-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CN(CC[C@@H]1CCC(C)(C)C1)CC1=CCCCC1	2321607074	BYUSYUPKCFPSKV-HNNXBMFYSA-N	249.442	4.635	0	10	BJAE	
CCCC(O)(CCC)c1cc(C)ccc1C(C)C	2327707821	JRNCVGUWAYMFGJ-UHFFFAOYSA-N	248.410	4.906	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1coc2ccccc12	2328270843	CNMMRARSKWUGPF-IUODEOHRSA-N	245.366	4.649	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2C[C@H](C)CC(C)(C)C2)c1	20471624	GLQUKRNPLGYZPU-STQMWFEESA-N	249.373	4.761	0	10	BJAE	
CC[C@H](Nc1cc(C)ccc1F)c1ccccc1	20471782	AGTLPARCSNTFRJ-HNNXBMFYSA-N	243.325	4.697	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)c1sccc1C	50326739	FIUGENMWNRPYDJ-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
CCCCCCNc1ccc(O[C@H](C)CC)cc1	66171121	IWFJAVXPNYAZDZ-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
CCCN[C@@H](CCC[C@@H](C)CCC)C(C)C	70747070	VOMRYDVEGXSNMW-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCC[C@@H]1C	71084801	STZRQTLARZMJPA-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)NC1CCC(CC)CC1	71105383	YZGDGOVRQQRGMF-UHFFFAOYSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H](C)c1cc(C=O)sc1CC(C)(C)C	75957140	DTFHQJKRPZKYHE-SNVBAGLBSA-N	238.396	4.663	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CC[C@H](CC)C2)CC1	88010371	CERVZWZWSPXUIZ-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC)c1cc2cc(C)ccc2o1	88073807	PXNWPQUSPQCCSA-CQSZACIVSA-N	245.366	4.582	0	10	BJAE	
CCN[C@H](CC1CCC1)c1ccc(C(C)C)cc1	88134105	HXVJELXMJDPEOP-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCc1ccc(CC)c(C(=O)C2(C)CCCC2)c1	94899286	UXGGVBXHGIYJQD-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CCCCCCC(=O)c1ccc(CC)c(CC)c1	97467825	TUVNAZIRRIVJKF-UHFFFAOYSA-N	246.394	4.965	0	10	BJAE	
CCCC1CCC(N[C@@H](C)C(CC)CC)CC1	104438397	FWEUXQLQEJYZGP-HLIUYOAVSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC[C@@H]1NCC	109657928	QSHWGFGVZJVTHI-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc2nc(C)c(C(C)C)c(Cl)c2c1	109692611	QNMPOGHROAXPLN-UHFFFAOYSA-N	247.769	4.882	0	10	BJAE	
CC(C)(C)C[C@@H](N[C@H]1CC1(C)C)c1ccccc1	109942541	ZIDAXSBDXLFFMP-CABCVRRESA-N	245.410	4.552	0	10	BJAE	
CCCCC[C@H](C[C@H](C)CCC)NCCC	126093588	DOFAMCYJSGUNTN-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCCN[C@@H](c1ccoc1)C1CCCCCCC1	159112221	OUTFWEYGGLXHIR-MRXNPFEDSA-N	249.398	4.681	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCC[C@@H](CC)C1	221501097	BWOZHWSEAHCSDC-KFWWJZLASA-N	225.420	4.514	0	10	BJAE	
Cc1cc([C@@H](C)NCCCC2CCCC2)c(C)o1	225017893	JRJBJARBDBQGEZ-CYBMUJFWSA-N	249.398	4.517	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCC[C@@H](C)C1)C(C)(C)C	227182944	KGZFTQNMWDMEHT-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](N)c1ccccc1Cl	228673975	PVMSFDBDEADEIL-AWEZNQCLSA-N	239.790	4.556	0	10	BJAE	
CCN[C@@H](CCC1CC1)C[C@H](C)CC(C)(C)C	229556992	OIJSBAFSKBZJKU-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC23CCCCC3)c1	230159554	VJDIPWKQIQWSRM-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
CC[C@@H](C)c1c[nH]c2ccc(C(F)(F)F)cc12	233861434	SZFWMXRFNMYCPW-MRVPVSSYSA-N	241.256	4.700	0	10	BJAE	
C/C=C/C[C@@H](C)c1ccc(CCC)s1	238285202	RAYRWLGFVBCTPD-DUMNWFOQSA-N	208.370	4.770	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1	252425323	MRPKRIOICXSKGQ-HLLBOEOZSA-N	243.394	4.766	0	10	BJAE	
CC(C)C(F)(F)c1csc2ccccc12	259082406	ZRXYSVQYMAJMFU-UHFFFAOYSA-N	226.291	4.649	0	10	BJAE	
CC(C)c1cccc2c(C(C)(C)C)c(C#N)oc12	259543031	ZVIHDSAATFBKBG-UHFFFAOYSA-N	241.334	4.725	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)c1cc(C)ccc1C	302319353	GUBYCBSAXNCSLZ-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)c1cc(C)cc(C)c1	307995375	ADRQJCVVVMDEQZ-RDJZCZTQSA-N	248.410	4.799	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H](C)C(C)C)cc1	310462833	FSTBOSDHVJOFLC-KBPBESRZSA-N	233.399	4.904	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cccc(Cl)c1C	320260963	ZGJKRNUWBUBEQY-NXEZZACHSA-N	238.758	4.513	0	10	BJAE	
CCOc1ccccc1NCCCCCC(C)C	383240555	VEPSADWWDDZQSH-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)CC1CCC(C)(C)CC1	383455258	HZHKBZJWFJAPSP-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@H](C)c1ccccc1)NCC	385153195	NHWVXIRUFFJGIZ-ZOBUZTSGSA-N	247.426	4.595	0	10	BJAE	
Cc1cscc1N[C@H]1CCC[C@H](C(C)C)C1	387294466	IQHBDDPYIUMBQB-STQMWFEESA-N	237.412	4.683	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CCCC12CCC2	394756071	BDFDFBDPXQXAIF-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CCCC[C@@H]2C)CC1	395190609	WLKHTDZDAFKHDJ-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@H]2CC=CCC2)CCCC1	402335362	IOSVUWSKMLRVJD-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccc(NCC=C(Cl)Cl)cc1	403315566	BOYINACRLHUBDT-UHFFFAOYSA-N	244.165	4.541	0	10	BJAE	
CCCCC[C@@H](O)C1CC(C)(C)CC(C)(C)C1	688315291	CSJUQAHVQACCHN-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@](N)(CC)CCC(C)(C)C1CC1	690462552	ZCXSZFMYWZXYFO-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCCCC[C@@H]1C(C)C	691127776	MPZOLHVOKWIHBO-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)c2ccc3sccc3c2)C1	691794746	OUDUXVGCXCESFT-PWSUYJOCSA-N	244.359	4.520	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1C[C@H](C)CC(C)(C)C1	695099906	QFRIAOYEVKRWSA-MELADBBJSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)CC(C)(C)CC	696266858	MBFQXMFQMYZNML-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)C[C@@H](C)c2ccccc21	696683180	KZYTUAQREJVXAA-CXAGYDPISA-N	246.394	4.598	0	10	BJAE	
CCNCC1(CCC=C(C)C)CCCCCC1	698033445	TZIATLZTFBAZLF-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCC(C)(CC)[C@@](C)(O)CC1CCCCC1	701069646	ZDSIBFZWHWDIQO-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C1(CNC(C)(C)C)CC=CC1	704854491	KEHOEBADIIGJRL-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H]([C@]2(N)CCC23CCCCC3)CC[C@H]1C	705264962	ILEFZGPQVZAWSP-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(c1ccccc1C(C)C)C1CCC1	705369144	NMDPKBGKHSPSBQ-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cs1	710727713	GQOMQZJOKVNLBX-BFHYXJOUSA-N	249.423	4.827	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H](C)C(C)(C)C	711134526	MQCZUBPJDPFPJL-JSGCOSHPSA-N	227.436	4.602	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](F)c1cccc2c1NCC2	713153854	QJUUNUBNSRJVDZ-CQSZACIVSA-N	249.373	4.738	0	10	BJAE	
CCCNC[C@H](CC(C)C)CC(C)(C)C(C)C	713222138	NKRZZQKSDGCHFN-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@@H]1C[C@H]1C(C)(C)C	713747489	KFFDOBZWFPVBGJ-RLAHGTIISA-N	249.442	4.559	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CCC(C)=C(C)C)C1	718655828	ZPTWDHWUFKBTRO-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CCC(C)(C)C[C@@H]1C	718688611	FHTDFTBHISTMAY-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)C)C(C)(CC)CC	721749417	SLHOZAFHKVRFJG-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCc1cc2ccccc2cc1Br	725245382	CSYNAOAMXOBKJY-UHFFFAOYSA-N	249.151	4.555	0	10	BJAE	
CCC[C@H]1CCCN(C[C@@H](C)CC(C)(C)C)C1	1473259680	LIZPBONVBQQOQC-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@@H](CC)CC(C)=CCCNCCC	1880414730	ZEEPYDBBUBTEEG-MRXNPFEDSA-N	239.447	4.929	0	10	BJAE	
CCc1cscc1N[C@@H](C)C1CCCCC1	1902390243	ITCKTNGWLXVEBI-NSHDSACASA-N	237.412	4.691	0	10	BJAE	
CCC[C@@H](CC)C[C@@](N)(CC)c1ccsc1	1905453076	GXTNORAJNBNUOL-OCCSQVGLSA-N	239.428	4.529	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1C[C@H]1C1CCCCC1	1910659037	CKDLQSNGUNUBCJ-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C)C(C)=C[C@@H](C)C1CCCCC1	1911839705	BBORONQMOBGMLV-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@@H](CCC(C)(C)C)NCCC	1912015042	ZFOBJFJXYYTOBM-HNNXBMFYSA-N	237.431	4.703	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C1CC2(CCCC2)C1	1912597896	XPRQATFTQJANAX-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@H]1CCC2(CCCCC2)C1	1915863699	AQBGRPOEENKBMX-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@@](C)(CCC(C)C)C1CCCC1	1924093281	POYUPCQZQHBMAV-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)[C@H](C)C1CCCC1	1924099018	PPCBLYXETOBWBS-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc2nc([C@H](C)C3CCCCC3)[nH]c12	1924122806	XLULRSYTVPTVAQ-GFCCVEGCSA-N	242.366	4.555	0	10	BJAE	
CC(C)Oc1ccccc1C[C@H]1C=CCCCC1	1925844780	YNFWYSFLIPGKME-HNNXBMFYSA-N	244.378	4.763	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@@H]1C=CCCCC1	1925888828	HZMBPPNKAXJYSF-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C=CCCCC1)C1CC1	1925946265	RJKBILZCUNEURK-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCC(=O)CC[C@H]1CC1(C)C	1935914917	UYGQDSBQFKCXLJ-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCC(C)(CC)[C@H](O)CCCCCC1CC1	1936414326	DJCMIWWSUFCYAY-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1ccccc1C(C)C	1940625235	IZNOBJBPMDMURL-MRXNPFEDSA-N	232.367	4.590	0	10	BJAE	
CCC1CCC([C@@H](N)[C@@H](C)CCC(C)C)CC1	1942659773	JQJWFIJERSQHHZ-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)CCCC(C)C	1947465455	VKAIFGBURZRLMU-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1C=CCCC1)NCC	1947590639	YAWFYNRIIOCYRB-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H](C)CNC1CCCCCCCCC1	1947882098	WTSWSVRCOXGKBA-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C1=CCCCCCC1	1948955246	RIUJIDOSGCEENU-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
CCC(F)(F)C(C)(C)C[C@@](C)(N)CCC(C)C	1949026431	JIKLPACIBHSHKE-ZDUSSCGKSA-N	249.389	4.602	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)[C@H]1CCC1(C)C	1949075836	LUWRJYSOAWHCPI-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@H]1CCCC(C)(C)CC1	1950919468	PDZPILKNOZRLBA-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C2CCCCC2)CC1	1950921168	CNJXQMARFAGRDD-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)NC[C@@H]1CCCC(C)(C)CC1	1950921426	FQKDYFKDLKBBRA-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(CN)CCC[C@H](C)CC1	1950925405	SWEOZTFNVPZCMT-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cc(Cl)sc1C	1959934503	NXDKUISZZIQGEZ-QMMMGPOBSA-N	244.787	4.719	0	10	BJAE	
Cc1c(N)ccc(-c2ccc(C(C)C)cc2)c1C	1964648171	DDUMRHCLRCXXKO-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
CCC1CCC(COc2c(C)cccc2C)CC1	1968270845	OKFZNOFZEKKLAV-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1CC[C@H](C)C1	1968370291	FSTVXHJMZLBXRF-KBPBESRZSA-N	232.367	4.625	0	10	BJAE	
CC[C@H](N[C@@H]1CCC2(CCC2)C1)C1CCCCC1	1969166360	DFMVLXCTSARGJE-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CCCCN(CCCC)Cc1cccc(C)c1C	1970447311	NGDQWCQZSRDXSJ-UHFFFAOYSA-N	247.426	4.706	0	10	BJAE	
CC[C@H](NCC1(C)CC(C)(C)C1)c1ccccc1	1973671150	UWIWEMXIRVUYFI-HNNXBMFYSA-N	245.410	4.554	0	10	BJAE	
CCCC(C)(C)C(=O)CCC[C@H]1CC1(C)C	1976010073	GZIDLJUSLMGLTO-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1cnc([C@@H]2CCC[C@H](C)CC2)s1	1976351229	WAJFAXLQGXENAG-NWDGAFQWSA-N	237.412	4.950	0	10	BJAE	
CCC[C@@](O)(CC)CC1(C(C)(C)C)CCC1	1989443093	VSRRYDYTTCCJMJ-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1CCC[C@@H]1C	1990092260	XDGSAWYSAXCFSL-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](N[C@H]1CC[C@H](C)CC1)C1(C)CCCCC1	1995987672	KQNVPPDHACKDLF-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](Cn2ccc3cc(Cl)ccc32)C1	1996230270	HMJRSUAQERRISU-NEPJUHHUSA-N	247.769	4.731	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C1CCC(C)(C)CC1	1996551162	AIWZHCHFWAJESM-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CC1(CC2(N)CC(C)(C)C(C)(C)C2)CCCC1	1997764892	DOIKRYICWRWVLV-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCNC[C@H]1CCC=CCCC1	1999999875	XHGRUXVYMTYFSE-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)CN(C)[C@H](C)[C@@H]1CCC[C@H](C)C1	2002992004	XWBMTFRAXXKNRK-RRFJBIMHSA-N	239.447	4.569	0	10	BJAE	
C[C@H](C[C@H]1CCCCCC[C@@H]1N)CC(C)(C)C	2003095475	OCWFDTNKTISDKU-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC(CC2(O)CCCCCCCC2)C1	2003118402	GQRNYBMJUAPLGY-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@H]1CCCC2(CC2)C1	2003212554	XTPRMEAHVZLVDG-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
O=C(CC1=CCCCCC1)c1ccc(Cl)cc1	2003670608	IMQJHLKRFMJAFE-UHFFFAOYSA-N	248.753	4.803	0	10	BJAE	
CC[C@H](C)C[C@H](NC)C1(C)CCCCCCC1	2004922809	KROJZVBTBLBOCE-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1C[C@H](NC)C[C@H](CCCC(C)(C)C)C1	2006630387	WJJIEILEHDYROO-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1(C(=O)[C@@H]2CCC[C@@H]2C)CCCC1	2006720948	FJPSRXJJBDYANM-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C)(C(=O)[C@@H]2CCCC[C@H]2C)CC1	2007681877	RNPBTOCBGRPPQO-MYMJJRTCSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C)([C@@H](N)C[C@@H](C)C(C)(C)C)CC1	2007690442	KMRBICMOERCSBW-IQXANGCESA-N	239.447	4.602	0	10	BJAE	
CCC1CCC([C@@H]2CC[C@H](C)CCC2=O)CC1	2009412344	XIDPGECQOOEJOX-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@H](C)C1CCC1)NC	2011186592	LCHLHFMOTIOXQM-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CCCCCC12CC2	2011276108	YKARSZGXTKEDNX-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CCC1CCCCC1	2011572663	WTZXKUIGEDHLMW-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@H](CCC[C@H]1C[C@@H]1C)NCC	2011583434	IXZFILPGBBEDTB-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@@H](O)CC12CCC(CC1)CC2	2012824744	ONPUEMAUVCRECX-HWOWSKLDSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1CC(C)(F)C1	2013169654	VVBAQZPCINNZCR-JVWICGRDSA-N	242.378	4.546	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](O)(CC)CCC(C)C	2013271057	ODUZQXVHERHXSB-OWCLPIDISA-N	240.431	4.780	0	10	BJAE	
CC1([C@@](C)(N)CCC2=CCCCC2)CCCC1	2014325049	RLKFMHNBGPHXBN-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)C(C[C@@H](O)CC1(C)CCCC1)C(C)C	2015271738	ODZHVCWRYHNNJW-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)CC(=O)[C@H]1CCCCC12CCC2	2015386357	BZAVDKUUEDSSAW-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC1(C)CC(C(=O)CC2(C(C)C)CCC2)C1	2017126317	YZXRCZGJSANPBJ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H]1CC[C@H](CC)CC1	2017653217	QINUYDKNAVDCDD-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCCC[C@@H]2N)CC1	2017729189	UFVNITQLMFHLLA-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](CCC(C)C)NC)CC1	2017729326	VOCKYJBHNPEWFQ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H]1CC[C@H](C)CC1)c1cccc(N)c1	2017734174	AVNVJKSZFLTCPI-MGPQQGTHSA-N	231.383	4.589	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H](CC)C(C)C)CC1	2017772764	SQAHEZFXJLSMLA-NRXISQOPSA-N	238.415	4.844	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H](C)CC(C)C)CC1	2017773155	WGLKJGWDNUIPKI-NFOMZHRRSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1CCCC[C@H]1CC	2018132292	SJXHWXOSQKXJNU-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CCCC(CCC)C(=O)CCC[C@@H]1CC1(F)F	2019592366	XAGKALGZSJTGPL-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CC2=CCCC2)CC1	2019777061	IKZOLCQMNCTYIS-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H]1CCCC(C)(C)[C@H]1NCCC	2020364048	NVGUMHCACPJLFF-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CN(C)[C@H]1CCCC1(C)C)CC(C)(C)C	2021079374	KAOBBZKXRBCUTD-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)CC1CCC(C)(C)CC1	2022410950	DCXRGBJOPUSVRI-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](C)C[C@@H]1NCC	2023617207	RDVYLWSPSUJLNG-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CCC[C@H]1CC1(C)C	2027842019	DXJWDCUEZUATDK-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1ccc(C2CCC2)cc1	2028264387	PDRXGUGBAPOIBP-DLBZAZTESA-N	245.410	4.636	0	10	BJAE	
c1ccc2c(c1)CC[C@H](CCCCCC1CC1)N2	2028631525	PLFOITLSDILIBC-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C1(C)CCCC1	2028896303	BFKAXABXSPBNJC-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C(=O)CC2C[C@H](C)C[C@@H](C)C2)c1	2031820855	ZJZJOEOLGWXMAD-ZIAGYGMSSA-N	244.378	4.640	0	10	BJAE	
CC1(c2ccccc2N[C@H]2CCCC2(C)C)CC1	2032241976	BQLQOTIDCZQJDF-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(N)C[C@H]3CCCC[C@@H]3C2)C1	2034160689	OGLNEYDDXYSBCA-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc2c(c1)C(=O)C[C@H](CC)CC2	2034185326	XZLXOTWJLPQRRF-CYBMUJFWSA-N	244.378	4.574	0	10	BJAE	
C(CN[C@H]1CCCC2(CCCC2)C1)CC1CCC1	2034372887	YJEKLDSGNRDYTI-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC(C)=CCC[C@](N)(CC(C)C)c1ccccc1	2037146782	LMWMQGXBPSKZTJ-KRWDZBQOSA-N	245.410	4.633	0	10	BJAE	
CC1(CCCC2(N)C[C@@H]3CCCCC[C@H]3C2)CC1	2037175700	IHRDQJAYLGQPAH-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H]1c2ccccc2NC[C@@H]1C	2037221610	VIFBLBAXZWULCF-HLPPOEQASA-N	243.394	4.658	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CC2CC3(CCC3)C2)CC1	2038088492	UXRUNRFGGROYJS-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@H]1CC[C@H](C)CC1)C2	2038941485	UMZOIUSDSRSZMH-DLASCLPFSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C1=CCCC1)[C@@H]1CCCC(C)(C)CC1	2039384061	GOIAOOPDHUQASV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2C[C@@H](C)c3ccccc3N2)C1	2040165914	LKLHNDUKJNXOJT-KBXIAJHMSA-N	243.394	4.801	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1[C@H]2C=CC[C@H]1CC2	2042515808	AKKYTTSBEZIOCE-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(CC[C@@H](O)c2ccccc2)C1	2043040700	BBJQANVNRJHTPR-AVVWSFFYSA-N	246.394	4.573	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H]1CCCC12CCC2	2043186691	GQRHGLXFUVJZGZ-ZBFHGGJFSA-N	247.426	4.578	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2CCC=CCCC2)CCC1	2045566982	XEYHAZKLBCEBQF-OAHLLOKOSA-N	248.410	4.908	0	10	BJAE	
CCCC1(C(=O)c2c(C)cc(C)cc2F)CCC1	2045569700	RPJLHTSOFLUWQV-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCCC1([C@@H](NC)c2ccc(C)c(C)c2)CCC1	2045732055	FCGKFNUDVYLYQU-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC(C)NC[C@@]1(CC2(C)CCC2)CCC12CCC2	2047940932	YRDMVXRMKBNYJG-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
NC1(C[C@H]2[C@H]3CCCCC[C@H]32)CCCCCCC1	2048439095	GXODWIWVTRJWQY-MUJYYYPQSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048471863	QCHCOARQKJBETL-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
NC1(C[C@@H]2CC[C@H]3C[C@@H]3C2)CCCCCCCC1	2049676590	VHIBFAAOHCBBHG-PMPSAXMXSA-N	249.442	4.645	0	10	BJAE	
C1CCC(CCCNC2C3CCCC2CCC3)C1	2050043815	WCSIOBQWZHDHEB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCCCCCC(C)C	2050451491	VXCYOEHIPJXBOS-KRWDZBQOSA-N	247.426	4.991	0	10	BJAE	
Cc1cccc(C(=O)CCCCCCC2CC2)c1	2050457466	CPYNKTFOWBONCR-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCC[C@@H]2CC[C@@H]21	2052287234	WBCQNVLZSIYLPD-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@@H]1C=CCCCC1	2056448375	FSBBEVUHNNDQKM-PMPSAXMXSA-N	248.410	4.764	0	10	BJAE	
CC(C)c1cccc(NC[C@@H](F)C2CCCC2)c1	2058029365	FTLWEOFQGJTWQH-MRXNPFEDSA-N	249.373	4.750	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@H]2CCC=CCCC2)CC1	2059002414	DZBBCPPBIQOGAU-HRCADAONSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C1CCC2(CC1)CC2	2059172996	PTWYFHPWKKTMTI-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC=C([C@](C)(N)C2(C)CCCCC2)CC1	2061122697	RGRWZDOKMCBJMP-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C[C@@H](C)c1ccccc1	2062629471	FQOSBXXYADFGMS-SQWLQELKSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CC2(CC(CC3(N)CCCCCC3)C2)C1	2063202794	CDVVAXKOJRTYMA-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H]1CCCC[C@@H](CC23CCC(CC2)CC3)C1	2065340461	WKIJJMHYUZSDSH-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H](C)C1(C)CCCC1)C1CC2(CCC2)C1	2067529489	HWSNJEZKXOZOQU-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@H](C)C1(C)CCCC1)c1occc1C	2067563016	SPARIGNPUACORR-KGLIPLIRSA-N	249.398	4.598	0	10	BJAE	
CCCNC[C@]1(CC(C)=C(C)C)CCCC12CC2	2072411530	QKAUQGXGGYQBGS-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC(CNc2ccccc2)CC(C)(C)C1	2073142126	ZOBPFKUGFMBPBS-UHFFFAOYSA-N	245.410	4.951	0	10	BJAE	
CCC1CCC(CN)(C[C@]23CCCC[C@H]2C3)CC1	2074031410	YQPRONPNHISOFV-ODZFXCKXSA-N	249.442	4.502	0	10	BJAE	
CCCC1(C[C@]2(N)CCC3(CCCCC3)C2)CC1	2074630145	WKVSMYQGQJVKNR-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
C[C@H](c1ccccc1)N(C)[C@H](C)C1CCCCC1	2074781999	XHTAFEGILCUTRC-HUUCEWRRSA-N	245.410	4.648	0	10	BJAE	
C[C@@H](N(C)C[C@H]1CC=CCC1)C1(C)CCCCC1	2075167835	MEFVSPDHZINODP-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1CC[C@H]2C[C@H]2CC1	2077197213	YDMFRMJGVBQGCB-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]1C1CCCCCC1	2079532893	XMSFEMJLHBOOOK-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(N)CCC2(CCCCC2)C1	2079868195	YPXKKRQFECUTCX-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@]1(N)CCC12CCCCC2	2079869099	BSBUOKNFTZADHQ-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2081118954	QLYLJGZTHDZSPM-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCC2)CCC[C@H](CC)C1	2081682297	RSPLOLNNIOPDCF-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC(CNC2(C)CC=CC2)CC(C)(C)C1	2082984473	BFBKWHHCRSWJPV-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](O)CCC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213297491	ARGWTCJPEDYKGY-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CC(CC2CC2)C1	2213390991	ZAXZRXRUPDGRIJ-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CCCCCCC2CC2)C1	2213580149	XPTMWOYOXJWDJC-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC1(CC[C@@H](O)CCCCCCC2CC2)CC1	2213580750	OMERIEIWNLYVFV-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CC=C1CCC1	2214991086	DSFPOZDCVYFWDJ-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@@H]1CC[C@@H]1C	2215097553	HQCRTKSGEQZJAJ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CC[C@H]1C[C@H]1C	2215345003	GXDYAJSPCFZITE-PWSUYJOCSA-N	247.769	4.649	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)CC(C)(C)C(C)C	2217150444	NEASACJFEHOQHM-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)C[C@@H](CNC1CCC1)C(C)(C)C	2217155765	FNCIUZQQIMGQDP-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1([C@@H](C)CC)CCC=CCC1	2217156319	KEMABRHPUGQVAL-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
O=C(CCC1CCCC1)C1C[C@H]2CCC[C@H](C1)C2	2218338595	IIXAZSCBPNJBLG-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
C(CCCC1CC1)CCNC[C@@H]1CCC2(CC2)C1	2218725348	LWXZFAUSVJBSRG-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@@]1(C)CC=CCC1	2220043737	BHQLYADHDPPUJU-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1(C)CC2(CCC2)C1)c1ccc(N)cc1	2221032577	IVVYYRCIDQZARJ-ZDUSSCGKSA-N	243.394	4.733	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@H]2C[C@@H]2C(C)(C)C)CC1	2221612999	BQODVVZQVBJHCB-DLTWYDFYSA-N	249.442	4.523	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC2CC2)CC=C(C)CC1	2221658512	DWMZSSFMYODEDX-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](CN[C@H]2CC(C)(C)CC[C@H]2C)CC1	2221667510	UVCSZIBVWFFUEU-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C1CCCCCCC1	2221928036	LMFZHSSOQHZZKB-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)C[C@@H]2CC[C@@H]2C1	2223108189	ITSSQTZGUUWFQF-FVQHAEBGSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@H](CNC2CCC2)C2CC2)CCCCC1	2223584687	WAWZCJFAZSHMTA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CCC1=CCCCC1)C(F)F	2241439635	BUOPSVSLNPNIND-UHFFFAOYSA-N	202.288	4.558	0	10	BJAE	
CC(C)CC(=O)CCC[C@H]1CCC[C@H](C)C1	2242760394	MVFDQLLTMWAMIR-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CC(=O)CCCC[C@@H]1C[C@H]1C	2243043791	YRHHIZDJPFESAR-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CCC1CCCCC1	2244773842	CTFJKDLJPQXVCM-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)CC(C)C	2244840489	JXXQESNEPHROFM-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CCC[C@](O)(CCCC[C@H]1C[C@H]1C)C1CCC1	2247128097	JTGPTINKQXOGIU-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC1(C(=O)CC2=CCCCC2)CCCCCC1	2247525288	NFCFIULFYZCBFH-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
Cc1ccc([C@@H](C)N(C)CC2=CCCCC2)s1	2247525451	NZQTWBAZCFVSCD-CYBMUJFWSA-N	249.423	4.550	0	10	BJAE	
CCC1(NCCCCC[C@H]2C[C@@H]2C)CCCC1	2248854551	AOYPYSFXGOFFBA-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)c1ccc(C2CCC2)s1	2250276809	ATAZLURUPKDCOC-OAHLLOKOSA-N	248.391	4.635	0	10	BJAE	
N[C@H](CCC1CCC1)c1ccc(C2CCC2)s1	2250282223	UFPZMZYGAHDKTJ-CYBMUJFWSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cccc(C2CC2)c1	2250354372	CQZOLIYLKUIRCV-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCC(C)=C(C)C)NCC	2250361558	NTOISDYHVHKDLS-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CCC=CCCC2)C1=O	2251716078	CZAZFJOCRRKJRO-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2CCCCC23CC3)C1	2253826074	ZLTUTGQNUWGYAP-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NCC[C@@H]1CCCCC12CC2)C1CCCC1	2253883429	JKSSLRRZKQEMAD-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Fc1ccc(NCC[C@@H]2CCCCC23CC3)cc1	2253891508	QCARKBFURLOACN-ZDUSSCGKSA-N	247.357	4.598	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CC1CCCCCC1)C2	2254488938	SODBUVSXTNMQTE-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CCCC[C@@H]2C[C@@H]2C)c1	2254588034	RLNHUAHPPUMVCA-ZMSDIMECSA-N	246.394	4.553	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CCCC[C@@H]1C[C@@H]1C	2254588821	IEZXGGAWDQKOCF-ARFHVFGLSA-N	245.410	4.520	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1(N)C[C@H]2CCC[C@@H](C2)C1	2254605347	MQLUOXIFXBZQNR-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)[C@@]12CCCC[C@H]1CCC2	2254947439	USQZFOYRLXAMRB-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
C[C@H](NC[C@H]1CCC12CCC2)C1CCCCCC1	2254968722	NDXOLFKBGZYYKL-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C1=C(CN2CCCC3(CCCC3)CC2)CCCC1	2255044858	HUNXMXSHFLWUOI-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
OC[C@]1(CC2=CCCCC2)CCCCC12CCC2	2255045474	NXOMOOSIOMOLOU-QGZVFWFLSA-N	248.410	4.600	0	10	BJAE	
CCNC[C@]1(CC2=CCCCC2)CCCC[C@@H]1C	2255102495	RZHKGWJHZUWKGT-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
Cc1cccc(C)c1NCC[C@H]1CCCC12CC2	2255335500	SIGRCFCKDAZUGE-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
CCCc1ccc(CC(=O)CCCC(C)C)cc1	2256238554	FVTHSBROUXKCHE-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CCC[C@H](CC)CN[C@H](CC)c1ccc(C)cc1	2259464158	PUNSSJFAHOZDDS-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CCC[C@@H](CC)CNc1cccc2c1CCCC2	2259477101	GETRVGPXTNMJCC-CQSZACIVSA-N	245.410	4.804	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cccc(CC(C)C)c1	2259477670	KIMYDSUYBPNGCD-DOTOQJQBSA-N	247.426	4.711	0	10	BJAE	
N[C@@H](CC[C@@]12CCCC[C@H]1CC2)C1CCCCC1	2260648668	SZBWYLXMZPEFDK-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H]1CCNc2ccc(F)cc21	2261336051	AMUHBZVSPVWUHS-AGIUHOORSA-N	247.357	4.551	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CC[C@H]1C	2300458944	NODGJXMNBNEZSH-DOMZBBRYSA-N	231.383	4.576	0	10	BJAE	
CCC(CC)CCC[C@H](N)CC1CCCCC1	2300682070	VNENZBZLAASNCY-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC(=CC[C@](C)(N)CC(C)C)CCCC(C)C	2300901965	PDRWLWSJMKQOFP-INIZCTEOSA-N	239.447	4.913	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)CCC2=CCCCC2)C1	2301927060	WHLCTNNXAMSFKB-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CC[C@@H]1CCC(C)(C)C1	2304360038	PKMQIBGDRUHGSI-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@@H]2CCC(C)(C)C2)CC1=O	2304425721	OGEAPZDNBVTURE-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@H](CC)CC[C@@H]1CCC(C)(C)C1	2304429592	YGYSFJRHGSSRTJ-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCC[C@@H]3CC[C@H]23)cc1	2309517263	CUXLQDXQDJKNEN-PVAVHDDUSA-N	243.394	4.801	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)[C@@]12CCCC[C@H]1CCC2	2311609730	NDWHUUBGXAEPNU-QBYUYEEZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CC1)N(C)C1CC2(CCCCCC2)C1	2313648406	PKJKLUOVCFGXDF-AWEZNQCLSA-N	249.442	4.610	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cc(C)cc(C)c1C	2316241884	YMMZMHJIUZSPBO-KRWDZBQOSA-N	247.426	4.828	0	10	BJAE	
CCC(C)=CCN[C@@H]1CCCC2(CCCCC2)C1	2316500376	YXKOYRLHVSUUKF-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
N[C@H](CC1CCCCCC1)C12CCC(CC1)CC2	2317011792	BFZXZNRPLNTTTO-ARWYELJZSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c([C@H](N)[C@H](C)[C@H](C)C(C)C)c(C)c1	2317905310	AHZTXKGZYUSTQQ-BFYDXBDKSA-N	247.426	4.540	0	10	BJAE	
CCC[C@H](N[C@@H]1CC(C)(C)[C@H]1C)c1ccccc1	2318252400	CMGJMHBIDTYBJG-CWRNSKLLSA-N	245.410	4.552	0	10	BJAE	
CC[C@H]1CC[C@@H](N(C)CCCC2=CCCCC2)C1	2318595111	MQGYINHLZHBNKC-DOTOQJQBSA-N	249.442	4.778	0	10	BJAE	
NC1(CCC[C@H]2CCCCC23CC3)CCCCC1	2318862171	AVTQUKYTLYNPCQ-OAHLLOKOSA-N	249.442	4.789	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CCC1(N)CCCCC1	2318865268	RFUYZURKHYSSMR-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
N[C@H]1CCCC[C@H]1C=CCCCCCCC1CC1	2318952843	WPFUBKRQXBIHNC-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)C1CCC(=C[C@H]2CCCC[C@H]2N)CC1	2319196602	FNWNGQHLYQVDGJ-YTPLPTRZSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(N)CCCCC12CC2	2320259492	VJAVETMRVNQDAO-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CNC[C@@]1(CC2(C)CCCC2)CCC(C)=C(C)C1	2320393943	KVMBOAIKXMJLTD-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC(C)c1cccc(N[C@@H](CC2CC2)C2CC2)c1	2320616788	NVWJITPHANCKPO-KRWDZBQOSA-N	243.394	4.801	0	10	BJAE	
C[C@@H](NCC[C@H]1CCC(C)(C)C1)c1ccccc1	2321524760	AYUYCXDYZKDNNM-HUUCEWRRSA-N	245.410	4.554	0	10	BJAE	
CC(C)CC12CC([C@H](N)C3(C)CCCCC3)(C1)C2	2321589418	ZHGFHYOYTVADCW-ODIFPOPNSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](N)CCC2CCCCC2)cc1C	20587205	USHVAUZOTCVKFZ-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
C1CCCCC2(CCCC1)SCCS2	32167879	HAAFGMKDCYFLNR-UHFFFAOYSA-N	230.442	4.687	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)c1ccc(C)cc1C	35468103	HNCCXEUYXNAYOT-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
Fc1ccc(N[C@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1	37210589	IDWHVVXMTZEXCL-ZENOOKHLSA-N	247.357	4.597	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H](C)CC(C)(C)C)cc1C	37363129	BSOFTMQHTZREOM-GFCCVEGCSA-N	246.394	4.949	0	10	BJAE	
CC(C)CC[C@H](C)Nc1nccc2sccc12	69234753	WHAYLUPKHUZMKG-NSHDSACASA-N	248.395	4.533	0	10	BJAE	
CCCC[C@H](CC)NC1CCC(CCC)CC1	69378486	CWYYQDOWTPCALC-PCKAHOCUSA-N	239.447	4.904	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCCC(C)(C)CC1	86893941	AZSYSJZSGMMJLI-CQSZACIVSA-N	249.373	4.905	0	10	BJAE	
CCCCC[C@@]1(O)CCCC[C@H]1c1ccccc1	87164368	LQCFRBYJPLYLCQ-DLBZAZTESA-N	246.394	4.656	0	10	BJAE	
CC[C@@H]1CCC[C@H](Oc2cc(C)cc(C)c2)C1	87439748	APHMPHSSXUFTLK-CABCVRRESA-N	232.367	4.651	0	10	BJAE	
CCc1ccc([C@H](C)N[C@@H](C)C[C@@H](C)CC)cc1	88293849	WYGFXKWROQNHSS-KKUMJFAQSA-N	247.426	4.724	0	10	BJAE	
CCC(C)(C)C(=O)c1ccc(C(C)(C)CC)cc1	90482292	QEZXFCUAAJPAGK-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H](C)c1ccc(C)cc1	109902060	STGMBWQVQBHKQZ-JLJPHGGASA-N	247.426	4.860	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)[C@@H](N)CC(C)(C)CC2	110269458	XMVRCLAWLFBLOC-LRDDRELGSA-N	245.410	4.562	0	10	BJAE	
CCCCC[C@@H](NCC)C(CCC)CCC	125420705	WMKMLFZGGGKVIM-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCN[C@@H](CC)CCC1CCCCCC1	128638957	NEKPEEGDDBEDCT-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C1CCC(CC)CC1	168728541	VGLXULJAFXLVNE-BHDPWAOGSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(CCc2ccccc2N)CC1	203816610	JVIVKGFGACDYQV-UHFFFAOYSA-N	245.410	4.808	0	10	BJAE	
Cc1cccc2cc(C3CCCCCC3)[nH]c12	216297773	BKHXJMBMYKRRRM-UHFFFAOYSA-N	227.351	4.914	0	10	BJAE	
CC(C)=CCN[C@H](C)c1ccc(C(C)(C)C)cc1	228837639	ADRFYZRHZJMXDA-CQSZACIVSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)c1ccc(C)cc1C	229330047	YNMRQUFMFQQURQ-OIISXLGYSA-N	245.410	4.520	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccc(C)c(Cl)c1	229616778	CYDMWZUAWJMSHG-SMDDNHRTSA-N	237.774	4.639	0	10	BJAE	
CC(C)C1CC(Nc2ccc3ccccc3c2)C1	232551858	XIGKVCVAIVGXLU-UHFFFAOYSA-N	239.362	4.686	0	10	BJAE	
CCCC[C@@H](NCC1(C)CCC1)c1ccccc1	232998892	DVRFPQCZBGFTKT-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CN	250837554	VVPWEZDEAWWSKZ-QLFBSQMISA-N	239.447	4.604	0	10	BJAE	
CC(C)(C)C1CCC(c2cccc(C#N)c2)CC1	258222124	FABHBXWVHGYSSR-UHFFFAOYSA-N	241.378	4.878	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@@H](C)CC(C)C	300999229	WUOGVYUHPQZWFK-NSHDSACASA-N	239.790	4.743	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@H](C)CC(C)C	302393666	QWJWZLOWSBAISI-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
Cc1cccc([C@H](C)Nc2cccc(C)c2F)c1	305960218	IUMKHSVWAHNYOJ-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(O)CCCC(C)(C)CC1	305972458	QAAIDAWDKNHNIE-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)CC1(C)CCC1	310100000	BBIIPLDKKYNHHP-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@@]1(CNC(C)C)CCC[C@@H](C)C1	317837462	KHACLIGWAXQUIW-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC(C)(C)C)CCCC[C@@H]1C	318724096	LHMXUMNZWLYAFD-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1ccc(C(C)C)cc1	319483934	GJCQAFUROAVEDS-WOSRLPQWSA-N	234.383	4.526	0	10	BJAE	
CC[C@H](C)[C@@H](C)Oc1ccccc1C(C)(C)C	319525260	AHFZXRVJAHVPOC-QWHCGFSZSA-N	234.383	4.798	0	10	BJAE	
CCC[C@H](N[C@H](C)CCC(C)(C)C)C1CCC1	322517809	IJXFFZHGZLDLHL-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
Cc1sc(C2CCC2)nc1-c1ccc(F)cc1	359324546	SWBIIFDTWLTHKD-UHFFFAOYSA-N	247.338	4.525	0	10	BJAE	
C/C1=C/CCC=CCCC=CCCC=C1	382643874	SCAORZLGXWXKRT-QEWLUZEZSA-N	202.341	4.956	0	10	BJAE	
CCCC1([C@H](O)C[C@@H](C)C2CCCCC2)CC1	383729923	ZZLHVLISRAOFFQ-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCC1(C(=O)c2ccc3ccccc3c2C)CC1	384330674	ABBOBBCEDXJPAB-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)c1csc(C)c1	384858302	NNLMXJQDKCJYCR-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
Cc1ccc([C@H](N)CCC2=CCCCC2)cc1C	385742921	BWZXYJKHHRKSMG-QGZVFWFLSA-N	243.394	4.584	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C1(C)CCCCCC1	394585787	JSKVOYGJLOPUNF-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H](O)C1(C)CCCCCC1	394623436	ZBLRDUXJIMIAFX-CQSZACIVSA-N	226.404	4.678	0	10	BJAE	
Cc1c(C(=O)CC2CCC2)ccc2ccccc12	395122829	YTNCLYTVMJHBQS-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
CCc1ccc2cc(C)sc2c1C(F)F	396224290	MHOGOCLNDZHDBJ-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H](C)C(C)(C)C	399151963	GJEUEXSEUCKNKJ-KGLIPLIRSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1ccc(C)cc1	401797213	IYQAWSNNNUKEQW-CABCVRRESA-N	231.383	4.623	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)C[C@H]1CC=CCC1	402231656	YBQIGQBIULWVLP-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](N[C@H]1CCC12CCCC2)c1cccs1	474027667	BPGRCHXWBOVZID-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CCCC2CCC2)cc1	688402790	APECUKMBIVJBFU-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CCC(CC)(CCCC(F)F)CNC(C)(C)C	688747635	MBPYEJAQMVMQKG-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1cc(C)ccc1C	697775938	XEIXCSIAVOVPNA-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2C[C@@H]2C(C)(C)C)c1	699838830	WCCRAGTZBMIQRW-CABCVRRESA-N	244.378	4.675	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@@]1(C)C[C@H]1C	704323383	FTIOFGWGAUIFDC-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)C[C@H]1CCC[C@@H](C)C1	704613642	PLHNCPVFBRRJHU-QPSCCSFWSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@@H]2CCC[C@@H]21	707834063	JPUPRLBGKSWUCR-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H]3CCC[C@@H]32)c1Cl	707858148	JXYHUUGXRHECAJ-FRRDWIJNSA-N	249.785	4.639	0	10	BJAE	
C[C@H](C[C@@H]1CCCCC(=O)C1)CC(C)(C)C	709215330	XMRNHHHOYUZLEX-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCc1cc(C)cc(CC)c1NCC(C)(C)CC	709655866	DUYPVOXITNZDKN-UHFFFAOYSA-N	247.426	4.968	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@H](C)C(C)(C)C	710743983	IFHXXHIVOKDEKH-HZSPNIEDSA-N	228.420	4.636	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cscc1Cl	711523436	ILYHGLOBCQTVHU-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
C=C/C=C/CCCC(C)(C)c1ccccc1	713661017	WJTLRJMIJDZKSX-AATRIKPKSA-N	214.352	4.877	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CC(C)(C)CC[C@H]1C	717535614	VBQTXAABTRBVCH-QLFBSQMISA-N	239.447	4.760	0	10	BJAE	
CCC1([C@H](CCC(C)=C(C)C)NC)CCCC1	718590989	BAJQYPPBQDNJKU-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@@H](CCCC(C)(F)F)NCC	718722448	NQKWPPYUCDYOEF-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
C[C@H](C[C@]1(CO)CCC=CCCC1)C(C)(C)C	718968350	GSPHEMOPPKGLHW-ZBFHGGJFSA-N	238.415	4.558	0	10	BJAE	
N[C@]1(CC2CCCCC2)CC[C@@H]2CCCC[C@H]2C1	723610836	CGYNXBLRGFNJBR-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(SCCC2CCCC2)c1	1165584134	HMCBRKVKICIXNS-UHFFFAOYSA-N	220.381	4.667	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1NC[C@@H]1CCC=CCCC1	1184250549	FICCEKWSKKUXCH-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C[C@@H]1CCN(CCC2=CCCCC2)C1	1195214467	WVXLHMANZKOQHR-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
C[C@H](SCCC1CCC1)c1ccc(F)cc1	1307292471	DJQYXRHMSRTEQR-NSHDSACASA-N	238.371	4.810	0	10	BJAE	
CC(C)[C@@H](C)S[C@@H](C)c1cccs1	1307306801	DAYRHAGYECQVSB-ZJUUUORDSA-N	214.399	4.587	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CSCC(C)(C)C	1307343080	BOBHKSNWVWFNSS-NEPJUHHUSA-N	214.418	4.592	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CCC[C@H](C)[C@H]1C	1652308593	BQPJABXUJJELBX-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CN)CCC(CC)CC	1900711370	CVMGOTPUZQMCQR-OAHLLOKOSA-N	227.436	4.748	0	10	BJAE	
CCCC[C@](O)(CC)CC1CCCCCC1	1901132507	MBHDNIDFLPXDRD-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1c1c(F)ccnc1Cl	1903370599	SEFVKGYBOVTLGY-ZJUUUORDSA-N	241.737	4.558	0	10	BJAE	
CC(C)C(CCC(=O)[C@@H]1C[C@H]1C(C)C)C(C)C	1910663687	OEYIEIMRMYHPGB-LSDHHAIUSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC1(O)CCCCCCCC1	1910697312	XEJNJRKMUPFVFF-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@@](C)(O)C1=CCCCCCC1	1919969131	HBKWJHKZAVZKCP-MRXNPFEDSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)c1ccccc1C(C)C	1920200228	YLHNKKXWIKYUES-WMLDXEAASA-N	247.426	4.810	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@H](C)C1CCCCC1	1924137280	YVZYNEKXGZIUDC-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2C=CCCCC2)CC1	1925795460	BFKFNELEDBHNMR-PCKAHOCUSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1C=CCCCC1	1925807095	LRPOEDLXKQHTIG-OAHLLOKOSA-N	244.378	4.935	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCCC1)C1CCC(C)CC1	1925945213	KAHHAKRRQTVKEB-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)Oc1ccccc1Cl	1928730286	IEARPLAEPWSOGL-LLVKDONJSA-N	226.747	4.544	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H](CC)C(C)C	1936212423	MAEGZLMTAZTHLU-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](CCC1CCCCC1)NC	1941269569	SCCBRPQJTXDGBO-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NCC)C(C)(CC)CC	1941274123	WNGIMRVRWIPMAR-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CC(=O)CC(C)(C)C(F)F)C(C)(C)C	1941602836	SCLMKNFMONRFGN-SNVBAGLBSA-N	248.357	4.699	0	10	BJAE	
CCCCCC[C@H](N)[C@]12CCCC[C@@H]1CCC2	1944156746	SSHNONVHWRTZRQ-PMPSAXMXSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1CCC[C@@H]1C	1944842343	JFAIFOMTYPUPAF-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCCNC[C@@H]1CCC[C@@H]1C	1944845883	LCRSPOLGQPHDMX-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)c1cccc2sccc12	1945955754	DLXOXFZBCFWWQI-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCCCCC1(F)F	1947304169	JDGKWFFFRZETFQ-OLZOCXBDSA-N	247.373	4.513	0	10	BJAE	
C1=C[C@@H](Cc2cccc3ccccc23)CCC1	1947553286	WSEVLHRTZVKYAR-CQSZACIVSA-N	222.331	4.739	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CCCC1CCC1	1949015410	SLCKRULBCCTMIR-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCCC1CC(C)(C)C1	1949860037	QMIQXQXSWPPHDA-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@]1(CO)CCCC(C)(C)CC1	1950907838	ICTUGFPFDIWMKZ-MRXNPFEDSA-N	238.415	4.702	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC)CCC[C@H](C)CC1	1950925927	XWOPBJUAZCBSMT-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)[C@H]1CCC[C@@H](C)CC1	1950931431	WYHPXALISQLVEA-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCC=CC[C@@H](CC)c1c(C)cccc1OC	1951308393	GBEONVPKGWLSAN-CQSZACIVSA-N	232.367	4.854	0	10	BJAE	
CC=CCCc1ccc(OC)c(C(C)(C)C)c1	1951308892	PUOIASRFNLYOJM-UHFFFAOYSA-N	232.367	4.501	0	10	BJAE	
CC=CC[C@H](CC)c1cc(C)cc(C)c1OC	1951309051	TXKVZFOVVCIOPT-AWEZNQCLSA-N	232.367	4.772	0	10	BJAE	
CC1CC(C)(CNC2CCC3(CCCC3)CC2)C1	1966062669	UBPGKPFBGIBLMO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Clc1ccc(NC[C@H]2CCCC3(CC3)C2)cc1	1968265773	PBHKVCIHKCOISH-LBPRGKRZSA-N	249.785	4.722	0	10	BJAE	
Cc1ccccc1OCC[C@@H]1CCC[C@H](C)C1	1968271886	YMYDWKZQCNSSCF-ZFWWWQNUSA-N	232.367	4.590	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCCCC12CCC2	1968361151	FXQOQHLHXFKDAY-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
Cc1c(F)cccc1NCC1CCC2(CC1)CC2	1968649338	VVSABYCBXRSIKY-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
C[C@@H]1CC[C@@H](NC2CC3(CCCCC3)C2)[C@H](C)C1	1969583910	ZZGDKWGUIKJRDH-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H](C)COc1cccc2sccc12	1969669461	ZYRWORXOSKRIBA-NSHDSACASA-N	234.364	4.572	0	10	BJAE	
CC(C)(CN[C@@H]1CCC12CCCC2)C1CCCC1	1971682033	VPSOGTVZWIJVEP-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CCNC1(C2CC2)CCCCC1)C1CC1	1973779834	HVPUCRRBYYIRIG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCc1ccccc1C(C)(C)C	1982125045	XAKYBTCUCTVZKP-UHFFFAOYSA-N	216.368	4.883	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CCCCCC(C)C	1989857089	GUSZGMRDVXRHPL-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(C)(C)CCNC(C)(C)C)C1	1996247003	DJLQRLREGDLIGX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CCC2)C1)c1ccsc1	1997041538	BWFRLQQAZFUYHP-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CC(C)(C)C2)cc1C	1998659068	XBIOZTQPKQCOQY-CYBMUJFWSA-N	231.383	4.540	0	10	BJAE	
C[C@@H](c1ccc(N)cc1)[C@@H]1CCCC(C)(C)C1	2000163173	QBACQYQQPGRYHH-GXTWGEPZSA-N	231.383	4.589	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CCC(F)(F)C1	2000214456	BVJBOYHVISYCFT-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CN[C@@H](CCCC(C)C)CC1CCC=CCC1	2000258261	ZQDQKDPCTWCPHL-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](c1ccco1)C(CC)(CC)CC	2000390304	MELDZYTUAVVCTM-AWEZNQCLSA-N	237.387	4.537	0	10	BJAE	
CCCN[C@@H](C1CCCC1)C(CC)(CC)CC	2000391438	XDRDMQCNEARTRK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@H]1CC=CCC1	2000506002	XDFMFZYBQZQYNP-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](C)(CNCC(C)C)CC1CCC1	2000522392	FCFDKWLQCQBFML-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](C1CCCC1)N(C)C[C@H](C)CC(C)(C)C	2002932106	JPZOMAICSSGWEA-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](O)CCCC2CCC2)C1	2002978734	KYXPQYYDXDNBCD-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@@H]2C=CCCCC2)CC1	2003067938	BULDKUQGLCZGFT-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCN[C@H]1CCCCCC[C@@H]1CC1CCCC1	2003102995	ZXEFPUBXSIWBGE-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)CNCC1(CC(C)C)CC1	2004720353	XPBAZXFWIGFUAI-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H]1C[C@@H](CCC=C(C)C)C[C@@H](CC)C1	2006629260	DXDIGIYNHKQRPH-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H](C)[C@@H](C)CC(C)C)CCC1	2006923393	SJCXVBPDSDDWMW-CWRNSKLLSA-N	237.431	4.536	0	10	BJAE	
CC[C@@H](C[C@H](O)C=C1CCCCC1)C(C)(C)C	2007920746	LQHSPHHVWGHLDZ-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@H](CCC)CC(C)C	2009619479	LUQCKNBIPVJPDM-CGMDNHBQSA-N	239.447	4.783	0	10	BJAE	
CC=CCCC[C@](C)(CCCC)CNC1CC1	2009620736	XRTIOJRLLRRFRY-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1CC12CCCCC2	2013535263	LDMAGVLYJRFUNW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CN[C@H](C)C1(C)CCCC1)CC(C)(C)C	2014360173	RNHSGLUKXJXTQB-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CCC(=O)CC2CCCC2)CCC1	2015597115	ZYKUGVLFQCDTLX-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)C[C@H](C)C1CCCCC1	2016111793	HWMQDZXKQMGHSH-CWRNSKLLSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cc(C)ccc1F	2016146072	SKXQYUIIIDPPNJ-CYBMUJFWSA-N	235.346	4.681	0	10	BJAE	
CC(C)C1(C[C@@H](C)c2cccc(N)c2)CCC1	2017138382	JKJBQZABJUUKDL-CYBMUJFWSA-N	231.383	4.589	0	10	BJAE	
CC(C)=C(C)COc1cc(C(C)C)ccc1C	2017468349	HBRNRRYPCXRCGD-UHFFFAOYSA-N	232.367	4.854	0	10	BJAE	
CCCC1CCC(C[C@H](CCC)NCC)CC1	2017727910	FTIIMSILTVCUEB-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCC1(CC2(CNC(C)C)CCCCC2)CC1	2018974641	MJDCNOUGRFWKIW-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC[C@H](CC)CC2)CC1	2019000973	OIKYNAALZSSJRB-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@@H](CC1(CCC)CC1)NCCC	2019001626	XXMLVAGLJXZFDW-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CCC1CCCCC1	2019198263	HBIVBGSVHUJUFO-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@@H]1CCCC[C@H]1CC	2019204247	VDFUHOGHYAUYGT-BZUAXINKSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H]1CCCN(CCCC(C)(C)C)CC1	2019328010	MSEKOOCEHJPDPK-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCC1(CC)CCN(CCCCCC(C)C)C1	2019344309	LLHAEUFFOQAKND-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1C[C@@H]1C1CCC1	2022386575	ZQQMXMHOJWXTKH-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2CCCCCC2=O)C1	2024103455	ZVZOCGSMJJZEAV-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)C[C@@H]1C[C@H](C)CC	2024121910	GATRPHVRRRARRU-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
c1sc([C@H]2CC23CC3)nc1C1CCCCCC1	2026607232	NLCLMPDFWQCKKZ-GFCCVEGCSA-N	247.407	4.848	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)c1cc(C)ccc1C	2028267271	ZAQKDIAPJDXXKZ-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
N[C@]1(CCCC2CCC2)CCCCC12CCCC2	2028483183	ANVVNRJQZVLZSR-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
N[C@]1(CCCCCC2CC2)CCCC[C@H]1C1CC1	2028645562	RXUCSYSCUWLHKX-DLBZAZTESA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@@H]1CC12CCC2	2032131912	MNDQCORVTGOFDS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CN[C@]12CCCC[C@@H]1C2)C1CCCCC1	2034015624	DBMMAAIUIAEPRI-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@@H]3CCCC[C@H]32)c1	2034264629	RKUASJQYKFCJCD-ARFHVFGLSA-N	243.394	4.684	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)c1C	2035409540	MKLFXHFIMHNEQE-XYPHTWIQSA-N	245.410	4.786	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1N[C@@H](C)c1cccc(C)c1	2035422999	LYRVFEZAEWHRHW-ZOBUZTSGSA-N	245.410	4.614	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C[C@@H]1C=CCCC1	2035575832	KOKNITAERPEIQS-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@]2(N)CCCCC23CCC3)C[C@H]1C	2035923321	HYBBFAJUJXYBDR-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C1CC2(CC2)C1	2036190468	IDEDYVVKXICCFQ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)CC1C[C@@H]2C[C@H]2C1	2037146460	XWGRFFFZBFIKCH-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(CN)([C@H]2CCC3(CCCC3)C2)CC1	2037688293	XPMJTJOTGWSGBI-CKDBGZEDSA-N	249.442	4.502	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)CC1CC2(CCC2)C1	2038082267	CKATWSLDTIVKGK-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCC1=CCCCC1	2039433723	DPRFUWDAKPMOFZ-USXIJHARSA-N	247.426	4.587	0	10	BJAE	
CCCC(C)(C)C(=O)CCC=Cc1ccccc1	2040724553	WPIMTEHMOJVOPA-UHFFFAOYSA-N	244.378	4.875	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NC[C@H]1C=CCCCC1	2041833693	JAMDFEFINWKJIH-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)NC[C@]1(CC2=CCCC2)CC=CCC1	2042090722	DZXHYHWXCMJZFF-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
O=C1C[C@H]2CC[C@@H](C2)[C@@H]1C[C@H]1CCC=CCCC1	2045311041	PYELALYQIYUAFU-VGWMRTNUSA-N	246.394	4.518	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC12CCCCC2)C1CCCC1	2047064268	CVLJRQMDUZPAPY-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048363570	QOASAQNNJJVILN-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@@H](C)NCC2CC=CC2)CC1	2049424562	ILVVCQCSJSFULJ-HPUBIQBYSA-N	249.442	4.537	0	10	BJAE	
C[C@H](NCC[C@@H]1CC=CCC1)[C@H]1CCC[C@@H](C)C1	2049530595	XQNMGJMWTCZWGC-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2	2049639533	GBMHUSNCQUZGFG-VGWMRTNUSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2CC23CCCC3)CC1	2051617252	OHQNOMVIJZVUFZ-HPUBIQBYSA-N	249.442	4.645	0	10	BJAE	
CC1(C(=O)CC2CC3(CC3)C2)CCCCCCC1	2052512620	JJJRVEBQVNUIMA-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1CC(C(=O)[C@@H]2CCCCC23CC3)C[C@H](C)C1	2053362349	ZLZZSTPTIMVTAC-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@](N)(CC1CC(C2CCC2)C1)C1CCCC1	2056640589	QVQNSIHIJSUKHZ-PUJMQQBBSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C[C@@]2(N)C[C@@H]3CCCCC[C@@H]3C2)C1	2056641287	XZOOFRXIOLQWQA-NDQLQDMOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2CC(C3CC3)C2)C1	2056665654	GLXWNLMWQVPIQK-ZHGJTGPASA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)C=C2CCCCC2)CC1	2056878697	MVRNHJPBGYIQBT-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](C1=CCC(C)(C)CC1)[C@@H]1CCC(C)(C)C1	2061095114	KYUQREOYAKSNEG-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@@]2(C(C)C)CCCCCN2)CC1	2061099517	PQRMRWUKOXXFNP-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CCC[C@H]2C(C)C)CC1	2061118517	HQJLKWDHHLEELR-HYVNUMGLSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)C2(CC)CCCC2)CC1	2061149207	BALRUCQSHJXWTA-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)C[C@]23CCC[C@@H]2C3)C1	2061602358	MXDIBSXNAJBQIT-RUCLQGLUSA-N	248.410	4.598	0	10	BJAE	
c1ccc2c(CC3CC(=C4CCC4)C3)coc2c1	2061719953	FLNVUUJBDWJXKB-UHFFFAOYSA-N	238.330	4.866	0	10	BJAE	
C[C@@H](C[C@]1(N)C=CCC(C)(C)C1)C1CCCCC1	2063635598	LQDDYTXACPXOGZ-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CCCC1(C=C(C)c2ccc(CN)cc2)CCC1	2069339232	GUMYBEIKCVBEBE-UHFFFAOYSA-N	243.394	4.519	0	10	BJAE	
CCCC1(C[C@H](N)C2C[C@H]3CC[C@H](C2)C3)CCC1	2069340062	QNXNZQXYBXGLLC-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C1(CC2CC2)CC1	2069511313	NFBAIWIGNKSJMU-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CCC1)C1(CC2CCC2)CC1	2069564513	TUENOOTUMLAWIY-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CCN[C@H]1CCCCC12CCCC2	2071464434	DUYSLRADMRDUQV-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](N)C2(C(C)(C)C)CCC2)cc1C	2071935318	ZDEYSOFYSSQHPC-OAHLLOKOSA-N	245.410	4.520	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@@H]1C[C@H]2CCCCCC[C@H]21	2072428813	JIVVTCFPPKEEEB-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@H]2C=CCCCC2)C1	2072607692	JRRFQCXCTPMDNS-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)c1ccccc1C1CCC1	2072914007	YBYWRCBPDQWPDC-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@H]1CCCCC1(C)C	2074804371	KNMSPVDFPRORAR-CVEARBPZSA-N	249.442	4.776	0	10	BJAE	
CCC1CCC(N2CCCC3(CCC3)CC2)CC1	2074858604	CBOUBSQCJSMQAL-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@H]2C=CCCCC2)CC1	2075371221	VSVKVJYYPDFCMC-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN(C1CCCCCC1)[C@@H]1CC[C@H]2C[C@@H]2C1	2076556927	WFRRHTBQNBWCFQ-ZMSDIMECSA-N	249.442	4.610	0	10	BJAE	
CCC1(CN[C@@H]2C[C@H]2C2CCCCCC2)CCC1	2079526357	FAOPBNDLFPAPPU-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](C[C@H]1C[C@H]1C1CCCCCC1)C1CCCC1	2079818059	HKWKPJGMFRPBKV-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(CC)c1NCC(F)=C1CCC1	2081669234	AOAINZCKRLULTH-UHFFFAOYSA-N	247.357	4.631	0	10	BJAE	
CCCN[C@@H](CC)CC1CC2(C1)CC1(CCC1)C2	2083616217	WRANJQQHMPBBSX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1csc(C(=O)C[C@H](C)C(C)(C)C)c1C	2210568048	RKFHVPBEOSTSIQ-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
N[C@@H]1CCCCC[C@H]1CCCCCCC1CC1	2213576262	OGNMNCMMVGYXRU-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C)C[C@@H](CCCCCCC1CC1)NC	2213576353	OYGRSIKIFBSDRL-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)CCCCC1CC1	2214563469	BSUNZUBZOIVTEB-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC[C@@H](N)C1CCCCC1)CC(C)(C)C	2214774895	HPJYXMXMLQKFLV-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CC)C(=O)c1c(C)cccc1C	2216010520	YHHXLDNLHMJXLM-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CCC[C@H](C)N(C)[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216259326	SVYDTTJYNANMJE-RRFJBIMHSA-N	239.447	4.712	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CCCCC(F)F)CC1	2216516817	WJSFERLTPUNRTI-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCCC(=O)CC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216737617	LKQZNBJYMIFXEQ-KKUMJFAQSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)N(C)CCCCCCCC1CC1	2216861561	HTEDITFVEOFJBI-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
C[C@@]1(CCCCCCCCC2CC2)CCNC1	2216894810	NBVLNCWJGYJYHQ-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CC[C@H](C)NCC1(CC(C)C)CCC=CCC1	2217126216	SZCXPEQMDTWAED-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NCC(C)(C)CCC1CCCCC1	2217132913	AVMHHVYMCUTCAJ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)N1	2218369199	ZPBIIOQSTZUPFV-ZHCJQAHYSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc([C@H](N)CCCCCCC2CC2)o1	2218729603	CCRMAGCXMPMKBC-OAHLLOKOSA-N	249.398	4.592	0	10	BJAE	
CN(CCCCCCC1CC1)[C@@H]1CCC2(CC2)C1	2218750822	RUDUXIVYEBETHA-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CN(CCC1=CCCCC1)C[C@@]1(C)CC=CCC1	2221602970	FZEZBTBCRBZUIS-KRWDZBQOSA-N	247.426	4.555	0	10	BJAE	
CCC(CC)CC(=O)CCCC[C@@H]1C[C@H]1C	2243053727	WSVQBSDHORTCPM-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
CN[C@H](CCC[C@H]1CCC[C@@H](C)C1)CC(C)C	2246657869	VYBGHFGRPPSQKA-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@H]2CC2(C)C)C1	2246663612	FYQDWUDQMYUKRB-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)CNCC[C@@H]1CCC[C@H](C)C1	2246686767	JBPIAOOFVNMWIV-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(O)CCCCCC2)C1	2246693238	NKGNBUGYNBKUFR-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CC[C@H](C(=O)c2csc(C3CC3)c2)C1	2248070925	VQNTVCJDVDLIDP-NSHDSACASA-N	248.391	4.635	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](O)CCC1(C)CC1	2248842911	SCFZBLKPVBQCJA-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1[C@@H](CCC)C(C)(C)CCC1(C)C	2251698910	YIMJKGACWLIAKT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C(=O)CC[C@H]2CCCCC23CC3)C1	2253847545	BAIMJEOGJYSAQW-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
Cc1cc([C@H](N)CC[C@H]2CCC[C@@H](C)C2)c(C)o1	2253925383	VHBYEEJUJNOIDJ-DJSGYFEHSA-N	249.398	4.503	0	10	BJAE	
C[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCCCCC1CC1	2254252576	SZQZRGVGOATVKP-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC[C@H]1C[C@H](N)C1CC2(CCCCC2)C1	2255027893	MTHKDPUCWLVXLL-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CNC[C@@H]1CCC(C)(C)C[C@@H]1CC1=CCCCC1	2255138969	CPHRQFFLRJGBIH-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CC(C)(C)C1(C)C	2256142719	VPVSBBIYSCDTII-CYBMUJFWSA-N	249.373	4.625	0	10	BJAE	
CCCCC(C)(C)Nc1nc(C)cc2occc12	2256822394	RWKCDAFTVMMTIC-UHFFFAOYSA-N	246.354	4.517	0	10	BJAE	
CC1=CC[C@](C)(NCCCCC[C@H]2C[C@@H]2C)CC1	2257313964	XKLCPRYVVZGURS-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)ON[C@@H](C)c1ccc(C(C)C)cc1	2259216271	DEDDGGVARIQCSI-ZDUSSCGKSA-N	249.398	4.581	0	10	BJAE	
CCN(C[C@]12CCC[C@@H]1CC2)C1CCCCCC1	2260576441	ZGWMYSAISXVVIF-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CCC(C)(CC)C(=O)c1cccc(CC2CC2)c1	2260906965	LLCCCNJPMJKBHY-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC1CCC1)C(C)(C)CC	2298852203	QQLGUDVVENUVGP-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@H]1CC[C@H](C)C1	2300682329	XWKBBLNHFGWYOJ-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CCC(CC)CC	2300684343	SSPAOXICHWZMHP-CVEARBPZSA-N	241.463	4.993	0	10	BJAE	
CCNC[C@@]1(CC=C(C)CC)CCCC1(C)C	2300862346	CDERAQMKXSLSOG-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC=C(CC)[C@H](CCC1=CCCCC1)NCC	2301901879	GENCBDADQOHKDD-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CN[C@H](CC=C(C)C)CCCC1=CCCCC1	2302362212	WTNKIBPAYWXORG-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CCC1(CC)CC(N)(C[C@H]2CCC(C)(C)C2)C1	2302688043	RVNWRZXDOIBQPV-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC(C)C)C[C@H]1CCC(C)=C(C)C1	2303577941	WDQZOBKTMIXASS-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCC2(CCC2)C1	2307846908	VZZYRDBKTSPKRC-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCCCC[C@H]1NC	2307903674	PHZPLHNMRACWDM-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@H](NCC)[C@H]1CC	2307908984	RTCAASDLBBEITF-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CC)c1ccccc1	2308459884	XXZYSVNXPLKDGE-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
CCC[C@](N)(CC[C@@]12CCC[C@@H]1C2)[C@@H]1CC1(C)C	2310383976	ZINXORGYTMCECH-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1C)C[C@@H]1C=CCCC1	2311277050	ZQVBRMGKNMGAQE-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC(CC2CC2)CC2CC2)CC1	2313592874	FTKFJOZRRNHQDG-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCC1)N(C)[C@@H]1CCCC2(CCC2)C1	2313648476	PXJBMQWRBSSJPT-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CC(C)CCC[C@@](C)(O)c1cccc(C2CC2)c1	2315919421	WOFJHEKMHBXNDC-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCC(C)=CC[C@]1(CNC2CC2)CCCC1(C)C	2316487727	DTRXOHPABJOLOO-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@H]1CC12CCCCC2	2316503800	RNPSKNZVQUHVEN-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@@H](N)[C@@H]1C[C@H]2C[C@@H]1C2)CCCC(C)C	2316558207	WMAIJJAZUBZRKO-YYIAUSFCSA-N	249.442	4.523	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317207180	RZFGZJPLFGNKIQ-KFWWJZLASA-N	248.410	4.764	0	10	BJAE	
CNCc1cc(CCCC(C)C)cc(C(C)C)c1	2318392886	LYVOHQDYDFGHKO-UHFFFAOYSA-N	247.426	4.508	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CCc3cc(N)ccc32)C1	2319136104	RVXBIFPQPVSFFB-STQMWFEESA-N	243.394	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@]1(C)CC=CCC1	2320254472	KFUTVXOHEWRSNB-JJRVBVJISA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(N)CCC=CCCC1	2320321247	XKHWSTSGTBOBCF-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1CCC(C)=C(C)C1)C1CC1	2320334725	ROOHBTILPMWIDP-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(N)C[C@@H](C)CCC1=C(C)C	2320453990	LFYPXKOCIMPERP-KLZNWCGWSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@@](C)(N)Cc1cccc(C(C)C)c1	2320659901	JMSFGIPCBXQNAD-QGZVFWFLSA-N	247.426	4.650	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2C[C@H]3CCC[C@@H]32)C1	2321637455	SHTRNCYWDHDQED-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@H]2CCC[C@@H]2C)c1	2327702938	BGUFPRCPYQSVIU-QRTARXTBSA-N	245.410	4.554	0	10	BJAE	
CCC1(CNc2cccc(C(C)C)c2F)CCC1	2327780307	BFSSCFXJTIGVNX-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)CC2CC(C)C2)c1	2327795652	WVGNJTFZUZJIEL-MQBCKMQZSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C[C@@H](C)c1ccccc1	2328271670	BQFPPDFMKJQEJN-VYDXJSESSA-N	247.426	4.724	0	10	BJAE	
C[C@@H](N[C@H]1CCCC[C@@H]1C1CCCCC1)C1CC1	35012410	RSVUXKDUQDUDIZ-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)c1ccc(C)cc1	36792342	QQIDZNHITNBKJW-HUUCEWRRSA-N	233.399	4.614	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCC[C@@H](C)C2)CC1	37252958	LAKTWFHXPNERRM-PRLABOORSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(NCc2cc(Cl)ccc2C)c1	83374642	KMRVUKLDIMWFLP-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CCCC[C@H](CC)COc1cccc(CC)c1	85150928	QWHABUAPGVMKOI-HNNXBMFYSA-N	234.383	4.844	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCC(C)(C)C1	87772295	GSYSYENLVVGBPL-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(C(=O)C2CCC(C)(C)CC2)c(C)c1	87940894	YMDDGGKQUXIFFL-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCCC1CCC([C@@H](C[C@H](C)CC)NC)CC1	87963317	FHGIGIHTWZOJPG-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CCC[C@H](CC)C1	87989499	WFJDDCDCFUWDPD-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C=C(C)C)c1ccc(C(C)C)cc1	92116456	NHOITOZWKIILNL-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CCCC[C@H](NC(C)C)c1cc(C)c(C)cc1C	93074086	JZTQOSAGAYBIDP-KRWDZBQOSA-N	247.426	4.841	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCCC2(C)C)C1	94279777	GIVKYQVLBRSNTK-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
C/C=C\C[C@@H](CC)c1c(F)cccc1Cl	107504946	LVFCBMWDGYMIJI-TZGMSPROSA-N	226.722	4.939	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)CCC(C)C	109899929	SXZNMXSSYXUIAM-CQSZACIVSA-N	233.399	4.794	0	10	BJAE	
CCCCCC[C@@H](N)CCC1CCCCC1	124762823	JMHHRBAFUHUQKG-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](CC(CC)CC)C1	149440379	ARFXHORDTHQDNZ-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCCC)C1(C)CC1	156413943	XQOGTPKJANNLND-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1ccc(C2CCC2)cc1	157638512	BIPCFOGNLGWDRM-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CC2=CCCCC2)cc1	161182424	CHPUAXYILUXZBG-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@@H](C)C(C)(C)C	163336080	DKKWKXUEIPKLTO-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1csc2ccccc12	167247687	PRRNAHCKVCCSME-BXUZGUMPSA-N	247.407	4.598	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CC)C[C@H]1CC(CC)CC	167560566	ZJDOUQUDVNRPCZ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@](N)(C2CCCCCC2)CC1	167685185	WFSZPAUOMZJPSC-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC[C@H](C)[C@H]2C)c1	227003604	ADTNTLUDPWQUCA-NWANDNLSSA-N	231.383	4.540	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@H](Nc2ccsc2)C1	230772939	LLSURUWLMRLLKQ-CHWSQXEVSA-N	237.412	4.765	0	10	BJAE	
CCc1cc2c(Cl)ccc(Cl)c2s1	238315558	QVQMNQLQXZNNPU-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCC[C@H]1CC	252403174	BCDIGLNIKSTYLZ-RRFJBIMHSA-N	225.420	4.514	0	10	BJAE	
CCC[C@H](NCC)[C@@H](c1ccccc1)[C@H](C)CC	253190098	KPGUYGKZZRZHPR-HYVNUMGLSA-N	247.426	4.595	0	10	BJAE	
Cc1ccc([C@@H](C)NCC2CCCCCCC2)o1	302316767	PTXHXVDIDLTUPT-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)[C@@H](C)CC(C)C	302501617	AHQKJOQMDHMFDJ-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CCCc1ccc(NC(C(C)C)C(C)C)cc1	302656867	XBJBITARFGSJRI-UHFFFAOYSA-N	233.399	4.732	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1cccc2ccccc12	305926154	IVIIQFKOIZXGFV-DYVFJYSZSA-N	242.362	4.555	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)CCC1CCCCC1	306029575	ZWHROTJQEBJTAV-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCc1cccc([C@@H](O)[C@@H](CC)CC(C)C)c1	308037620	VUSWYIPIAPYBKU-RDJZCZTQSA-N	248.410	4.745	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(O)CCCCC12CCCC2	310115433	CDJHPRZQNAOOND-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)cc(OCC2CCC(C)CC2)c1	310150369	OWNWJTJWAOUQAL-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CCc1cc(N[C@@H](C)c2ccccc2)ccc1C	310617327	IQSLYBLULGBRIX-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
CCC[C@@H](N[C@H](c1ccccc1)C(C)C)C1CC1	310739887	DKTWMHGDAFRDMY-SJORKVTESA-N	245.410	4.552	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@H]1CCC[C@H](C)C1	310813423	ANXOSLHISYSPSP-DZGCQCFKSA-N	241.378	4.776	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)C1(CC)CC1	311119987	XINUGKPRMCYHDQ-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCCNC[C@@]1(CCC(C)C)CC[C@@H](CC)C1	319316741	PYHCBHDZLMKJQE-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
C[C@H]([C@H](O)CC/C=C\c1ccccc1)C(C)(C)C	324066723	XHGCTBRXSISFLN-QLLDGSJBSA-N	246.394	4.523	0	10	BJAE	
C[C@@H](CC(=O)CCC(C)(C)C)C1CCCCC1	380046512	UDFSSZKOLHEPFN-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H](CCCC1CCC(C)CC1)C(C)C	383644938	GFCKOYPFSHMEEY-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C(C)(C)C(C)(C)C)C1	383899530	WFMWJAZUAXGQHH-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)c1ccc2ccccc2c1C	384677508	FLVYFIOKNCYQIB-SJKOYZFVSA-N	241.378	4.584	0	10	BJAE	
CCCN[C@H]1CCC[C@H](CCC2=CCCCC2)C1	384854155	MJGJDXCCQXLRAR-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
Cc1cccc([C@H](O)C[C@@H](C)C2CCCCC2)c1	386515888	MXDGTZFUJGJCNP-RHSMWYFYSA-N	246.394	4.635	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NCC1(C)CCCCCC1	394577880	AIPOJNXZEQYNRT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1ccsc1[C@@H](C)N[C@H](C)CC(C)(C)C	395151387	XBQFABDLQWPCMD-VXGBXAGGSA-N	239.428	4.532	0	10	BJAE	
CC[C@](O)(CC/C=C/c1ccccc1)C(C)(C)C	395456070	CKENMQUQFBHXBG-VEMDQMBVSA-N	246.394	4.667	0	10	BJAE	
CCc1cc2sc(F)cc2cc1C(F)(F)F	396290416	BJVZBWKTLYYUGO-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
COc1cccc2c(C(F)F)c(Cl)sc12	396296922	ZZYXJHBFUFCBJE-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C1CCC1)CC(C)(C)C	398611952	APHGGDZCFRSLKN-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCC[C@@H]1C[C@H]1CC=CCC1	402353175	NBCCRZRBWDXLRS-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CC[C@@H]1CCNc2ccccc21)C1CC1	405987734	LBNCCFCQWPJDEM-CYBMUJFWSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@@H](CCC)CC(C)(C)c1ccccc1	686714282	YWNGPRKXNIUJJH-INIZCTEOSA-N	247.426	4.523	0	10	BJAE	
CCC1([C@@H](O)c2ccc(C(C)(C)C)cc2)CCC1	687582494	CESCZRMTGWIMML-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(C2CC2)cc1	690087576	HJODLAWUOVVVOZ-ZDUSSCGKSA-N	231.383	4.945	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC[C@@H]2C)cc1C	691076823	YAHCXNPBWDRAKR-BBRMVZONSA-N	231.383	4.684	0	10	BJAE	
CCCC(CCC)[C@H](CC1CC=CC1)NCC	692063852	XDCRLAFLKLIVLZ-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](NC[C@]12CCCC[C@@H]1C2)C1CCCC1	693559942	VJMJOIYYUHRLEF-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)c1ccc(C)s1	696164153	ORDDUPXPBXOPQX-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H](C)CCN[C@H](C)c1c(C)cc(C)cc1C	696174721	NYCFOHOUGGHARY-MLGOLLRUSA-N	247.426	4.699	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CC[C@@H](C)C1	697759656	RRKMDUOJDWVILA-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@H]1CCCCC[C@@H]1C(C)(CC)CC	701144960	JLUZOVPYOFPNCY-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H]([C@H]1CCC[C@H]1C)C(C)(CC)CC	701146675	RRPHRMPCVACACI-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C/C=C\[C@H](NCCC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	704679661	SAYDEHJFZZANGW-JGRHBGNJSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@](C)(N)CCC(C)(C)C	704821476	BULCQPKREJSNEP-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(N)(C2CCC2)C2CCC2)C1	705332101	AZFFWZLNZVNNPL-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@H](O)C1(C)CCCCC1)CC(C)(C)C	709127650	DOPFDLJCNLCVSS-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
C[C@H](Cc1ccc2c(c1)CCCN2)CC(C)(C)C	709150887	CHZLRLHLVKSANR-CYBMUJFWSA-N	245.410	4.660	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H](C)CC(C)(C)C)C1	709255672	AMZZTCIJSRVGJG-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C[C@H](N)[C@@H]1CCC[C@H](C)C1)C(C)(C)C	711109385	CVAPWMVWICRVOX-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(=O)CCC(C)(F)F)C1CCCCC1	713935617	KXIIKVMZMCVOCU-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
C/C=C/C[C@H](CC)c1cc(C)ccc1C	714557034	IIIJEMBXODCDGU-DYLGSBMWSA-N	202.341	4.763	0	10	BJAE	
CC(C)C[C@@H](C)C1(CNC2CC2)CCC=CCC1	718041093	XRLFMYOESUDHJZ-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCCC(C)=C(C)C)C(C)C	718652519	NBVOFVWLCHURIP-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CCCc1ccc2ccccc2n1	718666568	GJKHWEAEPIAANJ-UHFFFAOYSA-N	239.362	4.914	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(CN)CCC=CCCC2)C1	718978132	IJUKRHCNDZUVIU-BRWVUGGUSA-N	249.442	4.668	0	10	BJAE	
c1ccc2c(c1)sc1ccc3c(c12)CCCC3	888086717	NGGIQHGUYFMNDI-UHFFFAOYSA-N	238.355	4.933	0	10	BJAE	
CC1=CC[C@@H](N[C@@H]2CCCC23CCCCC3)CC1	1206636856	UCCDEXOXINMYJX-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CCCCCCN1CCC[C@H]1C1CCCCC1	1641536363	FRNMXYLOVRPGKT-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
CCC[C@H](C)CCNC[C@H]1CCC[C@@H](CC)C1	1656860618	AYIFWNLVODEFGH-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCC[C@H](C2CC2)C1	1660066808	AXTFNZMWEQBDLM-HRCADAONSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CCC1(N)CCCCCCC1	1900715751	FFSPGRFWQLVPSN-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)C2CCCCC2)CC1	1909703806	UWHXOMCDLRAGPL-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
O=C1CCCC[C@H](CCC=Cc2ccccc2)C1	1912036956	INIYZHWDADDTSU-INIZCTEOSA-N	242.362	4.629	0	10	BJAE	
CC(C)=C(C)CCC1(O)CC2(CCCCC2)C1	1912710441	HRROKNOZQLOYFG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1(CCCN[C@H]2CCC3(CCCCC3)C2)CC1	1915867824	ULDJQAVEYBPDRM-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCCNC[C@]1(CCC(C)(C)CC)C=CCC1	1916345390	VSYMDWLHFOULNV-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)c1cccc(C(C)C)c1	1919941248	RIFQFWQXJMBROE-WMLDXEAASA-N	248.410	4.844	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@](C)(N)c1ccc(C(C)C)cc1	1920458595	APQQFEUWHQQCJX-GRDNDAEWSA-N	247.426	4.666	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C1CC(CC)C1	1921262925	YALFCAFVVFUPHC-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC[C@H]1CCCC12CCC2	1921636412	OATVCYUYUOPPSJ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H](C)C2(F)CC2)cc1	1922867391	DUZVRAASWHFIOW-RYUDHWBXSA-N	235.346	4.503	0	10	BJAE	
CCC(CC)C[C@](C)(CNC)C1CCCCC1	1924104915	HPRADDAOXCAHPH-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1C=CCCCC1	1925783963	CACDUJUKOATPOZ-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)C(C)(C)C1CC1	1925801395	CFILJDKTHYSRDU-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@@H](O)c1c(C)c(C)cc(C)c1C	1926380306	SMVOLFSTOJUQHW-MRXNPFEDSA-N	248.410	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CCC1(C)CC1	1935876150	KZCSQNXMBWDTHD-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCCCCCC1(CNCC)C(C)(C)C1(C)C	1940295092	VVRGXDVKZFGRRW-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(N)c(SCC2(C)CCCCC2)c1	1940409253	NQAFXBBFSRERJY-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
c1cc(N[C@@H]2C[C@H]3CCC[C@@H]32)c2sccc2c1	1940418775	XQTYWSOAYGXSJU-MBNYWOFBSA-N	243.375	4.502	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CCC1(C)CC1)NC	1940789683	FNOXPAXSCMCMKZ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC[C@@H]1CC1(C)C	1940875752	JDBOSBDCQSSLQG-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC1(CCCNc2ccc(C(F)F)cc2)CC1	1940877189	PWTREBWCSJNFFV-UHFFFAOYSA-N	239.309	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCCC2CCC2)CC1	1941460846	DEXAEGWTNWCBAG-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](N)(CCC(C)C)C1CC1	1942661401	WBLLMRPJURISIG-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](C)O[C@@](C)(O)CCCCC	1942890190	UNIRQIJOOWABNB-LSDHHAIUSA-N	244.419	4.651	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H]1CCC(C)(C)C1	1945584406	FWFFQSJUDITCCN-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC1(O)CC(C2CCCC2)C1	1945952307	IGOXOAWQIFZDEK-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(NC[C@H]2C=CCCC2)cc1Cl	1947588226	SCHFAVDTDUQQIB-LBPRGKRZSA-N	249.785	4.671	0	10	BJAE	
Cc1cc(N[C@@H](C)[C@H](C)CC(C)C)ccc1F	1948326270	KMNRZZWXDJYTIQ-YPMHNXCESA-N	237.362	4.617	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCCCC1(C)C)C1CCC1	1949035714	XOYBHTKYVRBYMS-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@@H]1CCC2(CCCC2)C1	1949420807	IOCNUYJQXMSXDO-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
O=C(CCCC1=CCCCC1)CC1CCCC1	1949865856	CYZOVVWDTKXIED-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
Cc1csc(C(=O)[C@]23CCCC[C@@H]2CCC3)c1	1950215704	SURHYNDOMMTIDR-DOMZBBRYSA-N	248.391	4.600	0	10	BJAE	
CC[C@H]1CCC[C@H](CC2(CO)CCCCC2)C1	1950370415	CCNIDTXDLWPJRX-GJZGRUSLSA-N	238.415	4.536	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@@H]1CC12CCCCC2	1950610908	FGFYHUDYXQQZCK-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CN(CC1CCC=CCC1)C1CCC(C)(C)CC1	1966240361	AKUDJWVNISGMQQ-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCC[C@H](NC1C[C@@H]2CCCC[C@H]2C1)C1CCC1	1967696985	QBSHUYVBTZOUMQ-ZOBUZTSGSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1NC[C@]1(C)C=CCCC1	1967836862	JWWQWERBCUVXQB-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(N[C@H]2CCCCC23CCC3)c1C	1968250940	WBECYCFELDZDAH-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C)c2ccc(C)cc2)C1	1968548211	QZUPTJTZADHKFB-AWEZNQCLSA-N	245.410	4.614	0	10	BJAE	
C[C@@H](CCC(C)(C)C)Nc1cccc(C2CC2)n1	1970303011	QDHKILNDNLGSNU-LBPRGKRZSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H](NCCC12CCC(CC1)C2)C1CCCC1	1973948934	OPRFORHOWJEGTG-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC(=O)c1cscc1F)C(C)(C)C	1985369694	BBAJWAHVKHAESL-VIFPVBQESA-N	242.359	4.532	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@H](C)[C@H](C)CC	1990888355	QRQHCGSOWCDAJI-KFWWJZLASA-N	227.436	4.712	0	10	BJAE	
c1sc(C2CCCCCC2)nc1C1CCC1	1995466165	ALUMMOBSSKXXDF-UHFFFAOYSA-N	235.396	4.848	0	10	BJAE	
CSc1ccc2occ(C3CCCC3)c2c1	1995496611	OBPAFCPQVJVOPP-UHFFFAOYSA-N	232.348	4.812	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)C2CCCCCCC2)C1	1996232850	SHECPQBXQNTRDD-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)N[C@H](C)C1CCC(C)CC1	1996560786	HGPWGNVTDLTRMD-SHARSMKWSA-N	239.447	4.760	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CCCC2(CCC2)C1	1997047825	WYBQDQMCPAHIOU-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CN(C)[C@@H]1CCC[C@@H](CC)CC1	1997205324	MMNMQPITTGAHBP-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CCCCCC[C@H](CC1[C@H](C)[C@H]1C)NCCC	1998543105	LSHKZAGCFPDCOM-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C2CCCCCC2)C1	2000053055	ZZOZNYKNWVPOEF-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC)[C@@H]1CCCCC12CCCCC2	2001579123	SQQIGGGTQNKOMT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2CCC[C@H](C)C2)cc1	2002999191	QYBCJWIYKBZRPW-ZNMIVQPWSA-N	231.383	4.622	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCCCC12CCC2	2005562594	CMFYSCTXARKWBT-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C)C[C@@H](NCCC)C1	2006625477	XRVYLDQBNOUTAQ-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc(CF)cc1	2007024938	MCRWXJHFWAQCJQ-UKRRQHHQSA-N	235.346	4.537	0	10	BJAE	
CC1=CCCC[C@H]1N[C@@H](c1cccs1)C(C)C	2007028293	VWBYBSGNUNKGGV-UKRRQHHQSA-N	249.423	4.534	0	10	BJAE	
CCCC1(CNC(C)(C)C)CCC2(CC2)CC1	2007667462	HGXAVMATNYGVPC-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(C)(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1	2007683866	WEJODJPXWGQEHR-MYMJJRTCSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CC(C2CCC2)C1	2007784105	BRSLBQBPSUXZPQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCC1)C(CC)(CC)CC	2007940381	QTEJVOYOAYLPCP-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CC1=CC[C@H](CC)CC1)C(C)C	2010767034	FEINOMXEGYQBMC-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)[C@@H]2CCC2(C)C)c1	2014904212	VHBXHUPZJLIYTE-ZFWWWQNUSA-N	231.383	4.540	0	10	BJAE	
CC(C)C(C[C@@H](N)C1(C)CCCCC1)C(C)C	2015272842	REWTWJPSQZVOGT-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CCC1(C[C@](C)(O)[C@H]2CCC[C@@H](C)C2)CCC1	2015589719	YOCBOBJKQISQBX-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](NC)C(C)(CC)CC)CCC1	2015634985	MULMCJUJKOONNY-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@@H](C)c2cccc(N)c2)CCC1	2015643009	XFQULCLXGOREMM-CYBMUJFWSA-N	231.383	4.733	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)C[C@H]1CC[C@H](C)CC1	2017711889	IUCMAGHZUAGPPU-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCCC[C@H]2C)CC1	2017731618	UCWNVFRLDQYPMC-PRLABOORSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@H](N)CCC(C)(C)C)CC1	2017731637	UFZKVKDKLZKNFL-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(CC[C@H](CN)CC(C)C)CC1	2017735817	HSTHZVQOEVFCNW-GPANFISMSA-N	239.447	4.604	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CCCC3(CC3)C2)sc1C	2017979899	QVWBAMFNTNPQIJ-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)C(C)(C)C(F)F	2018132585	ZSOJDWBHTQCDPR-RYUDHWBXSA-N	249.389	4.615	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(C)cc1F	2018139271	PUUILIPJUBJYCL-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
CCCC1(C[C@](N)(CCC)C2CCCC2)CC1	2018977417	WHNAEHNMEREHOF-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)CN(C)[C@H](C)C1(C)CCCCC1	2019284778	DARIICITGPEJQV-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CC[C@@]1(C)CCCN(CCCC(C)(C)C)CC1	2019327208	DKZRGZGHQPXTDW-INIZCTEOSA-N	239.447	4.715	0	10	BJAE	
CC(C)CCCCCCN[C@H]1CCC2(CC2)C1	2021787830	LQOFIEUKBIUYFS-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)CCC1CCCC1	2022556881	JJAUNRYNXNOIPO-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)C1(C)CCC(C)CC1	2022556950	JXKKGGFWRSACJF-WJEHIRDRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CCCC1CC1)NC	2026166828	MQOYNVYSGVPEPJ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1ccccc1C1CC1	2028559707	JIQBUKRDOSGGHM-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](NCC2(C3CCCCC3)CC2)C1	2029741830	JZBNSBFGOHWHAI-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](c1ccccc1)C1CC1	2029967508	SMEIVRNMMPNNHR-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
CN[C@H](C1CCCCC1)[C@]12CCCC[C@@H]1CCC2	2031754093	GXBQKZIJAMHKOV-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@]23CCCC[C@H]2C3)C1	2031830401	YFRUAIXMFRKQJG-CLBVLKOUSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)ccc1F	2034264089	PJPYSSSCMFASMN-DUVNUKRYSA-N	247.357	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@H]1CC2CCC1CC2	2035408525	KVDGSCIBYDKSRJ-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@H]1CC12CCCC2	2036096522	LCHJPKSJXRLCKO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](N)c1cccc(C2(C)CC2)c1	2037209761	IGNLOKBXTKBARI-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CCCNCC1([C@@H]2CC[C@H](C)C2)CCC=CCC1	2037696825	BTEGZZSVHAHXRA-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](CC1CCCC1)[C@H]1CCC2(CCCC2)C1	2037752318	NVDGTSPKKBQNQK-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@@H]1CC[C@@H]2C[C@@H]2C1)CC1CCCCC1	2038168392	YWUWKDOCYGRRJS-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCCN[C@@H](CC)C1CCC(C)(C)CC1	2040684614	UODODDJUMIMNGD-INIZCTEOSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@]1(C)CC=CCC1	2042020600	YUMBMVZBEAJYFC-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@H](NC[C@@]1(C)CC=CCC1)C1CC1	2042071598	IFDUVWLFUCPBNC-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@@]1(CC2CC(C)(C)C2)CC=CCC1	2042091107	ILWIGFQPZVQJDC-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1CCC1)CC1CCC=CCC1	2042737075	VIZACPXUNFOSGW-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@@H]1[C@@H](C)[C@H]1C	2043409139	ZWCQBFUKEHTYFR-WTTBNOFXSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CC[C@@H]2CC(C)C)c(C)c1	2043687400	SERPEABZVPHWAY-CVEARBPZSA-N	245.410	4.848	0	10	BJAE	
C[C@@H](CCC1CC1)N(C)C[C@@H]1CCC=CCCC1	2045315978	ZOQDJYLEQKCIFH-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
N[C@@]1(C[C@@H]2CCC=CCCC2)CCCC12CCC2	2045320483	NEPJMKOKLWAUIO-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@H]1CCC=CCCC1	2045323086	JOSACZPQZSDKMN-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@H](O)C[C@@H]2CCC=CCCC2)c1	2045335212	PTHNWCYBBPTSAR-NVXWUHKLSA-N	244.378	4.555	0	10	BJAE	
CC[C@H]1CC[C@H](NC2CCC3(CCCC3)CC2)C1	2045659544	DFFPRUPTFXRSCM-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
NC1(C2CCCCC2)CCC2(CCCCC2)CC1	2045669132	AHWAOJYDKIMMBY-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@@H]1CC(C)=C[C@@H](C)C1	2045762932	DSOOMCIFWZVDKD-XOKHGSTOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C[C@H]2CC23CCCCC3)C1	2047008311	NJAYDGCBLCSJEV-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2047437862	OXHIJYWSOCLHJH-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048468665	KFNHXPRIBJWCMA-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049203597	ONONEGLGHAUZSD-QLPKVWCKSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c(-c2cc(C)c(N)cc2Cl)c1	2049389334	IEIGKSCRUDHOSL-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@H]2CC23CCCC3)C1	2049498558	MGNWWHHBRJMVAR-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@@H]1CC12CCCCC2	2049699813	CZAPEGSELZXAOZ-LSDHHAIUSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@H]1CCCC2(CC2)C1	2049853373	DTZSWUFYVSEGMD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C[C@H]1CCC2(CC2)C1)C1CCCCCC1	2049861505	CZJVRMMTEVYNRF-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@]1(C(=O)CC2[C@H]3CCCCC[C@H]23)C=CCCC1	2049999158	AZMQGERQBIPSAU-ZQIUZPCESA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](CC=C(C)C)C(C1CCC1)C1CCC1	2051405732	UIBNIYQUPNRVFD-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](N[C@@H]1CCC[C@@H]2CC[C@H]21)C1CCCCCC1	2052286966	RLPLQGLHYIBUPT-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
C=CC=CCC[C@H](NC)C1(C)CCCCCCC1	2052480888	PUOFXDJKXJWUFU-INIZCTEOSA-N	249.442	4.847	0	10	BJAE	
CC1(CN[C@@H]2CC[C@@H]3CC[C@@H]32)CCCCCCC1	2052504180	DHLHQPMBZGIYIC-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NC[C@@H]1CCCCC12CC2)C1CCCC1	2053435837	HHAAHIRNXDCOGO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2C=CCCC2(C)C)CC1	2055533739	WOLUIRHLIHTFFP-HUUCEWRRSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)[C@](N)(CC2C[C@@H](C)C[C@H](C)C2)CCC1	2055591903	LVSSAJZLBXGKBQ-GDZNZVCISA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@@H]1C=CCCCC1	2056448374	FSBBEVUHNNDQKM-OWCLPIDISA-N	248.410	4.764	0	10	BJAE	
Cc1cccc([C@@H](O)C2(C)CCC(C)(C)CC2)c1	2056559171	POYQJZXTILZHRR-OAHLLOKOSA-N	246.394	4.635	0	10	BJAE	
CCC1CC(C[C@@H]2C[C@@H](C)c3ccccc3N2)C1	2056642651	LFEVSOKWOFJEQW-URGYJCLVSA-N	243.394	4.801	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@@H]1CCC[C@H]2C[C@@H]12	2057367384	ZNVWOYRNJSBBCY-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1[C@H]2CCCCC[C@H]21	2059250085	NGAYHSQVLLMXPW-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H](NC)c1c(C)cc(C)cc1C	2059255084	FBSGBEMHIFWIOR-MRXNPFEDSA-N	245.410	4.619	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C1=CC[C@H](CC)CC1	2061084003	HEDYWDKNONGSOV-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C2=CCC(C)(C)CC2)CC1	2061094489	GQPXTQCZARKCFE-IJEWVQPXSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CC[C@H]1CC1(C)C)C1=CCC(C)(C)CC1	2061139702	HZJQYKIHFVDPIF-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(CNCC[C@@]23CCC[C@H]2C3)CCC1	2061591007	HLFUGBHOTBZZTQ-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
Cc1cc(N[C@H]2CCCCCC23CC3)ccc1F	2062016105	DIDSMDKXCHZCNB-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
C[C@H]1C[C@H]1CCC[C@H]1C[C@@H](C)Nc2ccccc21	2062644136	YYXGBPNELIQYGP-YJNKXOJESA-N	243.394	4.801	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)[C@H]3CC=CCC3)C2)C1	2063211835	ULONWKYGYVUZQL-AWEZNQCLSA-N	246.394	4.518	0	10	BJAE	
CC1CCC(CC(=O)C2C[C@@H]3CCC[C@H]3C2)CC1	2063500733	JYQVBFJTRAAQLQ-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCCC1	2063535658	LCCHDZOFZBJEGK-MKZZRHPPSA-N	248.410	4.742	0	10	BJAE	
CC1CCC(CC(=O)C23CCCC2CCC3)CC1	2063853497	UQBMORSQVGWXKO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC23CCC(CC2)CC3)C1	2065276466	DOVOOWXHODTYLB-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)c1cccc2ccccc12	2068820494	XQAWDEYDYZPDFB-GUYCJALGSA-N	241.378	4.522	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2(CC3CCC3)CC2)C1	2069581421	RJTPHAXCRWRXRL-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC(C)=C(C)C)c1cccc(C)c1	2072418914	VUSGIWVKMDGYIT-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CCCC1CCC(CC(=O)C2(C)CC=CC2)CC1	2072874704	FJIKFHPFOHJLIL-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2CC(CC3CC3)C2)CC1	2072881085	DGWTXKPPAJWQNI-YCVWASFZSA-N	248.410	4.598	0	10	BJAE	
C1=C[C@H](N2CCCC[C@H]2C2CCC2)CCCCC1	2074795295	UIFJKYNJOICCGR-IRXDYDNUSA-N	247.426	4.530	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CCCCC2(CCC2)C1	2074898185	AYPRAHYXUFPHOB-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCc1ccc(N(C)[C@H]2CCCC[C@H]2CC)cc1	2074898301	BSTFHLZSCCZNBY-WBVHZDCISA-N	245.410	4.654	0	10	BJAE	
CC[C@@H]1CC=C([C@H]2CCCC(C)(C)[C@H]2NC)CC1	2076395334	JQMRSDUCDHTYRC-BMFZPTHFSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]2C2CCC2)CC1	2079329934	VKHSRVSMOTXKIA-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H]1C[C@@H]1C1CCCCC1	2079435845	QXNSTNNWPZMQHV-JUAGGHJOSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@H]1C1CCCCC1)C1CCC1	2079486057	LZYXLCQTIYZGGK-UHOFOFEASA-N	248.410	4.598	0	10	BJAE	
Clc1csc(-c2cccc(C3CC3)c2)c1	2080280531	YOCYRMWAGMUGLM-UHFFFAOYSA-N	234.751	4.946	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)CCC23CCCC3)C1	2082982662	MOLARRXRRVMEAM-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C2(C)CC2)C12CCCCCC2	2083322415	HPJRQJZTDXSYMM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(CC(=O)C[C@H]2CC3CCC2CC3)C1	2084988765	LDBQNGKVQNNSNJ-QIWHZVNUSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@H](N)CC1(C)CC(C)(C)C1	2211616792	ZSPHJPATEOSMTO-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CC[C@@](C)(O)CCCCCCCCC1CC1	2212446037	JBKXGPPFUSGTBK-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCC(CC)C[C@H](CC1(C)CC(C)(C)C1)NC	2215397015	YXNQCCMFMNEYAT-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CCCCCCCCC1CC1)NC	2216877546	NNQWVHWJCNYEPK-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
O[C@@H]1CCCC[C@@H]1CCCCCCCC1CC1	2216877721	PIMVDIFZVCADMD-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CCC1(N)CC(CCCCCCCC2CC2)C1	2216879723	MMRNLQGXUWYFCH-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(F)cc(NCCCCCCC2CC2)c1	2218718921	SUOKOHWQDXARQG-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2(C)CC3(CCC3)C2)CC1	2221036305	BIOOSSBWTKDKQK-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCCN1CC1(C)CC2(CCC2)C1	2221068597	PNYQYBYLCPDOQP-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)[C@@H]2CCCC(C)(C)C2)CC1	2221640405	LZCWURGWJGHSTO-RHSMWYFYSA-N	248.410	4.908	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)[C@H]2[C@H]3CCCCC[C@H]32)CC1	2221640656	NUCHRLTXLANFRJ-JYYAWHABSA-N	246.394	4.518	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)C1[C@H]2CCC[C@H]12	2223123621	NGSWJVMQODDJJR-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1c(C)cc(O)cc1C	2223345275	IQPWYCAIZWENCB-AWEZNQCLSA-N	249.398	4.636	0	10	BJAE	
CC(C)(C)CC[C@]1(CNC2CCC2)CC=CCC1	2223567909	BFTLCDZTKNNCJE-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CCC2)CCCCC12CC2	2223590707	ZIUBDHQLVWCGFH-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc([C@H](N)[C@@H](C)CCC)s1	2242599647	ZRYMNYNEJUHSEG-SMDDNHRTSA-N	239.428	4.527	0	10	BJAE	
Cc1scc(C(=O)[C@@H](C)CC(C)(C)C)c1C	2242607589	ZEKISOJWOBSSAA-VIFPVBQESA-N	238.396	4.620	0	10	BJAE	
CCCN[C@@H]([C@H](CC)CCC)C(C)(C)CC	2244785092	VZJBRSZEOMLSBE-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cc(C(F)F)cs1	2244785948	SABULGBUTIPZHO-LDYMZIIASA-N	247.354	4.512	0	10	BJAE	
CC1CC(C)(CC[C@@H](N)CC2CCCCC2)C1	2246528226	WMZCJYQCVCVRPU-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@H]1CCc2cccc(C)c2N1	2246633771	DGPISFZHKOXURA-OAHLLOKOSA-N	231.383	4.548	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)CC[C@H]2CCC[C@@H](C)C2)C1	2246666070	MRGVEVZYUQJDBR-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC1(C)C)C1CCCC1	2247436342	WZXUSNZOANBPFZ-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC[C@@H](C)CCCC(C)C)CNC	2250528268	MGWDAKMDZKSLAC-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCC[C@H](N)C1CC(CC(C)(C)C)C1	2251535708	YSCXHBATAILICY-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CC1(C)C[C@@H]1[C@@](C)(N)CC[C@H]1CCCCC12CC2	2253844329	QUGPSGCAJAZVBY-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CC2CC3(CCCC3)C2)C1	2254110709	WENMADAWMCRNJL-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
c1cc(C2CC2)ccc1NC[C@H]1CCC12CCC2	2254965740	SPAZYMHFEOTMRM-OAHLLOKOSA-N	241.378	4.556	0	10	BJAE	
CNC[C@@]1(CC2=CCCCC2)CCCCC1(C)C	2255093836	IRVUHFOFYLOKKM-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H](C)C1CCCCC1	2255098254	ATZKBHDQQDVPIW-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2cccc(C(C)(C)C)c2)C1	2257944149	FJJBSASBIFEBST-UKRRQHHQSA-N	245.410	4.975	0	10	BJAE	
Cc1cc(NC[C@@]2(C)CC=CCC2)cc(C)c1C	2258234577	VPFFCZOGKOUZHQ-KRWDZBQOSA-N	243.394	4.770	0	10	BJAE	
CC(C)(C)C1(CN[C@@]23CCCC[C@@H]2CC3)CCC1	2260544339	RTSMDDLEFNZWRX-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@@]12CCCC[C@@H]1CC2	2260588416	RVYSRSVHHGEPAG-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
NC1(C[C@]23CCCC[C@H]2CC3)CCCCCCC1	2260673234	QXVDWTHDADQTKA-JKSUJKDBSA-N	249.442	4.789	0	10	BJAE	
CC1CCC(CN)(C[C@@]23CCCC[C@H]2CC3)CC1	2260679022	OWGUSTJBYCKWMJ-XGHPGWEVSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1C[C@H]1CNc1cc(C(C)C)ccc1C	2300455304	FOQPTIJOYPOFLL-HIFRSBDPSA-N	231.383	4.576	0	10	BJAE	
CCC(CC)CCC1(CNC2CC2)CCCC1	2300675960	JWMULKQCUXEHER-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CC(C)(C)C1(C)C	2300697679	RLXFBRQHTOVSAI-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC(C)(C)C[C@H]1CN	2300701451	RLDNZZDFGQMFME-CABCVRRESA-N	239.447	4.604	0	10	BJAE	
CCC(C)=CCNc1ccccc1C1CCC1	2300868327	XIUSRNILDVIZAE-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CCN[C@@H]1C[C@H](CC=C(C)CC)CC(C)(C)C1	2300897463	SPSVIILURBBNHW-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCC(=O)[C@@]1(C)CCCCC1(F)F	2300922074	VXNQJGCVDSWOBJ-CYBMUJFWSA-N	244.325	4.518	0	10	BJAE	
C[C@@H]1CCCCCCN1CC1CCCCCC1	2301146269	XCCDRWZWFPYWJQ-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)CC1CCCCCC1	2301148487	VMGLJXHENPYEKO-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC1CCCCCC1	2301148761	YQBDTJAVIHMZPQ-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1ccc(C2CC2)cc1	2301967956	NQJHXUKCRQRTNH-OLZOCXBDSA-N	231.383	4.657	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CCC[C@H]1CC1(C)C	2302613525	RQYQHOLKMAYGCW-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H]1CC(C)(C)[C@@H]1C	2303249958	QCMMDEFLWWAFKJ-ILXRZTDVSA-N	239.447	4.569	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@@H]1CC[C@@H]1C(C)(C)C	2303506658	USIXMGBDQVSITI-MELADBBJSA-N	239.447	4.602	0	10	BJAE	
CC1CCC(O)(CC[C@H]2CCC(C)(C)C2)CC1	2304353049	XRJAOWAHFJBQMN-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CCC(C)=CCc1ccccc1OC(C)(C)C	2307641558	GYGVIKUXAIHYML-UHFFFAOYSA-N	232.367	4.763	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC2(CCCC2)C1	2307828218	GZAFVJVCJVEEQB-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@H]1C[C@H]1CCC	2307898008	GTANFRYXMYNAKD-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CC1(C)CCCC1)NC	2307906262	CXSHBISUUSYTRF-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@H]1C[C@@H]1CCC	2307908346	GTANFRYXMYNAKD-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C=C1CCC(C)(C)C[C@@H]1CN)CC	2307910090	WYEITNHUZJDFPK-UKRRQHHQSA-N	237.431	4.524	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]1C1CCCCC1)C1(C)CCCC1	2311539176	WHBBUUVGCKUYJP-VNQPRFMTSA-N	249.442	4.514	0	10	BJAE	
CCC(C)=CCC1(CNC2CC2)CCCCCC1	2316492302	SGOCYQBCCGNNQT-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCC(C)=CC[C@H](N)c1ccccc1CC(C)C	2316535144	FMHJCGIUAVIZDP-KRWDZBQOSA-N	245.410	4.631	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(N)CC1CCCCCC1	2316875577	WVIRPPUYWJCHRN-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(F)cc1NC1CC(C(C)C)C1	2317917751	MGBANIZQJICUOT-UHFFFAOYSA-N	249.373	4.796	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H](C)CC1CCC1	2317975633	NDQGAPZSZUYPES-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CCCC2=CCCCC2)C1	2318570223	VCTVAOBAZHCVFP-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H]1CC[C@H](CCCC2=CCCCC2)[C@H]1C	2318595525	QKWPNYSAUCCHCM-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CNCC1(C[C@@H]2CCC(C)(C)C2)CCC=CCC1	2319066545	JMIUTIAVWYIXHD-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H]1CC[C@@H]1C(C)(C)C	2320198299	WMSLLOLDKXVAKR-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](NC2C(C)(C)CCC2(C)C)CC1	2320237626	LXBRJWQAQABNEL-CQSZACIVSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@H](NC[C@H]2CC[C@@H]2C(C)(C)C)CC1	2320372969	MHFMUPDLMDXMAC-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CC2(N)CCC(C)(C)CC2)CC1	2320393195	CQSYMHHWVKPHIM-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@]2(C)CCC(C)(C)C2)CC1	2320424639	SFXJUYICHYSPIF-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@]2(C)C=CCCC2)C1	2321627593	ZKGWYMBPVPSPRS-YOEHRIQHSA-N	248.410	4.908	0	10	BJAE	
CCCCC[C@H](NC)c1cc(C)ccc1C(C)C	2327656846	FXDXNLZGEQMMNX-KRWDZBQOSA-N	247.426	4.959	0	10	BJAE	
CC(C)(C)C1CCC(Nc2cccc(F)c2)CC1	20563847	IZLTYJDBCPQNSY-UHFFFAOYSA-N	249.373	4.843	0	10	BJAE	
COc1ccc(-c2ccc(CC(C)C)cc2)cc1	34546883	MEYBLUDQFTZTPG-UHFFFAOYSA-N	240.346	4.561	0	10	BJAE	
CCN[C@@H](c1ccc([C@@H](C)CC)cc1)C(C)(C)C	35544108	IDTHLZCUUUEFKK-BBRMVZONSA-N	247.426	4.897	0	10	BJAE	
CCCc1ccc([C@@H](NCC)[C@H](C)CCC)cc1	35550366	HEBAYUYVZZOWTB-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CC(C)[C@@H](Nc1cccc(F)c1)c1cccs1	37202648	OZQLVFPRITVHPX-CQSZACIVSA-N	249.354	4.696	0	10	BJAE	
Cc1ccc(N[C@H](c2ccccc2)C(C)C)cc1	37215914	KFKYPOOJUCAODE-KRWDZBQOSA-N	239.362	4.804	0	10	BJAE	
Cc1cccc([C@@H](C)NC(C)(C)CC(C)(C)C)c1	37312546	BIAMQTGYWYQXNZ-CQSZACIVSA-N	247.426	4.860	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)c1cc(C)ccc1C	68860476	AYADCEQLPYIFSV-INMHGKMJSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@H](CC)NC1CCCCCCC1	68985401	XBXUCAZQOSLHAB-AWEZNQCLSA-N	225.420	4.658	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1sccc1Cl	87623134	DKHQUZDEBXLQJB-KOLCDFICSA-N	246.803	4.651	0	10	BJAE	
CCSc1ccccc1N[C@@H]1CCC[C@@H](C)C1	103969755	JBTWLFOHLVGRAC-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
CCCCC1CCC([C@@H](O)c2ccccc2)CC1	109783023	OCHDDYKNUPPPBP-PREGVCBESA-N	246.394	4.717	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(F)c(C)c1	109957546	QFJTZWWPWHFTKK-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
Fc1cccc(-c2ccccc2)c1C(F)(F)F	112734593	NOCXGEWNMFZUKX-UHFFFAOYSA-N	240.199	4.512	0	10	BJAE	
Cc1cc([C@H](N)C[C@@H](C)CC(C)(C)C)cs1	129388879	MMGRWQRAXZFZNB-ZWNOBZJWSA-N	239.428	4.519	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)C1CCCCCC1	133319902	MIZWTEPBANHEOQ-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)C[C@H]1CCCc2ccccc2C1=O	167551473	DHPGHKKMKRVPDR-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CCCCC[C@H]1CC(C)(C)CC[C@H]1CNCC	212292772	SGAZMHKIVMRWNA-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC)[C@H](CC)c1ccc(C)cc1	212709331	PXMWYXBRRMEOPA-IAGOWNOFSA-N	247.426	4.657	0	10	BJAE	
CCCC[C@@H](CC)c1nc2c([nH]1)CCC[C@H]2C	216974067	KXALGAYYOBXMIV-VXGBXAGGSA-N	234.387	4.533	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CNC(C)(C)C)[C@@H](CC)C1	219549189	GANSOGJSCAIANL-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](c1cccc(CC)c1)C(CC)CC	228859511	ZTGAJTKZWLHQNT-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CC(C)(C)c1ccccc1[C@H](O)CC1CCCC1	229294740	KCWXNQNGBGJDHZ-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CCCCC[C@@H](NCCC)c1cc(C)cc(C)c1	229490125	PMRRDAGMXRBXDI-QGZVFWFLSA-N	247.426	4.924	0	10	BJAE	
CCCCC[C@H](NCC)c1c(C)cccc1C	232958176	GOGLHSAXNMGKMJ-HNNXBMFYSA-N	233.399	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@H]1CNc2c(C)cccc21	232996171	MYJNSHWRDAWGSA-UKRRQHHQSA-N	231.383	4.721	0	10	BJAE	
CCC[C@H](C)[C@@H](O)C1CCC(C(C)(C)C)CC1	233339241	KPJHQUKMZVYEKN-VXGQWTEUSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)C1C(C)(C)C1(C)C	234444871	GLAIQFFVHHWHHT-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCCC[C@H]1CC	250831309	RFWSBFCIUAPRSB-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](CCN)c1ccccc1C1CCCCCC1	258248573	DPMNPOYDEMWBIU-AWEZNQCLSA-N	245.410	4.577	0	10	BJAE	
FC(F)(c1ccc(-c2ccccc2)cc1)C1CC1	259036090	SCMXCKGPMXSRPU-UHFFFAOYSA-N	244.284	4.855	0	10	BJAE	
C[C@@H]1C[C@H]([C@H]2CNc3ccccc32)CC(C)(C)C1	300243440	OCVUOFOTROYWLS-VNHYZAJKSA-N	243.394	4.658	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H](C)[C@H](C)C2)cc1C	302271850	HKMUDSVJRLBJJI-WOSRLPQWSA-N	245.410	4.794	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccc(C(C)C)cc1	302273338	ARVDZNWMHVJBSG-CZUORRHYSA-N	234.383	4.670	0	10	BJAE	
Cc1ccc(N[C@H](C)CCC(C)(C)C)cc1F	302552016	VXJJQYPFOQLJFA-GFCCVEGCSA-N	237.362	4.761	0	10	BJAE	
C[C@@H](CNc1cccc(Cl)c1F)C(C)(C)C	304345723	WHHMGEKEMDPWDN-VIFPVBQESA-N	243.753	4.573	0	10	BJAE	
CC(C)(C)CCCC(=O)C1(c2ccccc2)CC1	305907439	GHLBHMODZRXCCG-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1cccc2ccsc12	305937695	QMCLCYRVBCMXMN-CYBMUJFWSA-N	247.407	4.727	0	10	BJAE	
Cc1c(Cl)ccc2cc(C(F)F)sc12	306606951	HSGWQTKGKIHUGF-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CSc1sc2cccc(S)c2c1Cl	306709510	UTZWAJMTRXWKDD-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Cc1csc2c(Cl)c(C(F)F)ccc12	306893430	IJLKHFLPZUTZTA-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@H](CCC)CC(C)C	308059128	STIQHUFLUVTJEC-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)(CNC)C[C@H](C)C1CCCCC1	310358760	SSHFFWCVJXBRLQ-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](CCC[C@H]1CCC[C@@H](C)C1)C(C)(C)C	310467862	AJZLYCNKKONUFC-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@H]1CCCC12CCCCC2	313123391	SMLLRKKDNBEATN-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CNC[C@@]1(CCC2=CCCCC2)CCC[C@@H](C)C1	316946535	GUAYHFBMOQAXHY-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CNC2CC2)CC=CCC1	318938540	PYPBLLPPBGCNPO-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)c1ccccc1C(C)(C)C	319858456	QTZCFMSKZQXQRB-WOSRLPQWSA-N	247.426	4.666	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CCC[C@@H](C)C2)c1C	380944498	NJMZMRNJEKHVJC-DOMZBBRYSA-N	244.378	4.703	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CCCC1(C)C	381342134	KUMFPNIAKVYXPT-HNNXBMFYSA-N	244.378	4.819	0	10	BJAE	
CC(C)CCCCCNc1cccc(Cl)c1	383116162	IPJMWKFBYIVMOK-UHFFFAOYSA-N	239.790	4.968	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](O)(CCC2CCCC2)C1	383133280	WKCVVZQBAPNCDG-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCC(C)(C)C1	383589414	XKDXCYACKTZMPR-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H](C)c1ccccc1	384988560	UZESUCLXJISWLA-UONOGXRCSA-N	232.367	4.576	0	10	BJAE	
CC[C@@H](NCCC1=CCCCC1)C1CCCCC1	385107042	CEDQGCVVZNSCCJ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CCC[C@H](Cn2ccc3ccc(F)cc32)C1	385279808	KGEGMAQUVDPGLV-STQMWFEESA-N	245.341	4.607	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1ccc2sccc2c1	386357370	VOJLIISBQFGXPF-ABAIWWIYSA-N	247.407	4.598	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C(C)(C)C(C)(C)C	393835201	NOLMFNWYWNMLQP-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(F)c1NCCCCCC(C)C	394767642	RFWIJPVHMLLKNR-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CCc1ccc(CC)c2c(C(F)F)csc12	396166743	INDMBIOAVTWUIS-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](C[C@@H]2CC=CCC2)NC)CC1	402315588	ILFRXLZREHVSGZ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCSc1ccccc1NCC1(CC)CCC1	687527588	JBVIGAJDAHQHTP-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](CCCC2CCC2)C1	688801721	LQEBSMBRJLJWAX-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)CNc1cccc(-c2ccccc2)c1	689639885	LUGDHHKJGPWMDP-AWEZNQCLSA-N	239.362	4.812	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@H](C)C(C)(C)C	691169897	UTYPVGXGTXYHQR-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCCC(C)C	691172814	YFLKWRSCPXRAKX-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1CCCC2(CC2)C1	696016178	DILWARRYPDFUSR-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)c1c(C)cc(C)cc1C	696560109	DRNJGPDLMOTBLT-OAHLLOKOSA-N	247.426	4.699	0	10	BJAE	
CCC(C)(C)CC[C@@H](C)[C@@H](C)CNC(C)(C)C	696807669	UAQDVFPBCFPJBW-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](C1=CCCC1)[C@]1(C)CC[C@@H](C)C1(C)C	699011361	IZKHRUFPRWCPFA-UNEWFSDZSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@](C)(N)CCC(C)(C)C)c1	704883641	XKPQXYZVHRUSDD-QGZVFWFLSA-N	247.426	4.810	0	10	BJAE	
CCSc1ccccc1N[C@H](C(C)C)C1CC1	705375320	YIBKYCADNUROIJ-OAHLLOKOSA-N	249.423	4.645	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CCCC[C@@H]1C(C)C	707542731	AVZZZQYFULAPEH-ARFHVFGLSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H](C)CC(C)(C)C	708297891	NXFQZWAKUPVHKZ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(NCC/C=C/c2ccccc2)cs1	710688241	RKLZSMWDXHGRFY-WEVVVXLNSA-N	243.375	4.572	0	10	BJAE	
CC[C@@H](C[C@@H](N)CCC(C)(C)C)C(C)(C)C	711108538	WHDGBIPMNWESAM-STQMWFEESA-N	227.436	4.602	0	10	BJAE	
CN[C@@H](CCCC1CCC1)c1cc(C)cc(C)c1	711171157	QEBACBOMAVHUAG-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H](CC)C(C)(C)C	711181592	VLLGZHVLAHFVKF-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
CC[C@@H](CC(=O)CCC1CCCC1)C(C)(C)C	711187317	SBCIHURYBMMCBC-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CCCC[C@@H]32)CC1	712377212	KVLQHPWJJHRVKA-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)CC(C)(C)C(C)C	713176218	RRAAUPKQPCKZPU-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)CC(C)(C)C(C)C)CC1	713205917	ZSEDKGJTPMTEQG-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](CC(C)(C)C(C)C)C1	713303801	FICHDIHHLQGMJG-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
C=C/C=C/CCC(=O)C1CCC(C(C)(C)C)CC1	713737587	JSMSIFOXYANOIE-VOTSOKGWSA-N	248.410	4.930	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCCC(C)(F)F)C1	718669375	UQRPAYWLCJOFLZ-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCC1CCCC1	720942378	YQRRKFXEKNIWAR-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC(C)(C)N[C@@H]1CCCC2(CC2)C1	723601234	YRDMUDFXULUPTK-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C1CCCCC1)C1CC1	724004720	VKKXZLJIEJPUHA-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C=C/C=C\CCSc1ccc(Cl)cc1	1613258049	WSPVQVHOIXAWJF-ARJAWSKDSA-N	224.756	4.564	0	10	BJAE	
C1CCC(CSC[C@H]2C[C@H]3CC[C@H]2C3)CC1	1613501575	KUBLUUIRLGIZIA-SOUVJXGZSA-N	238.440	4.736	0	10	BJAE	
C/C(=C/Cl)CSCCCC(C)(C)C	1641086692	DTICOQDLELEOCQ-NTMALXAHSA-N	220.809	4.689	0	10	BJAE	
CC[C@H](C)CSC[C@@H]1CCC[C@@H](C)C1	1643785082	FUGDETXDKXISGG-YNEHKIRRSA-N	214.418	4.592	0	10	BJAE	
CC[C@H](C)N(CC(F)=C(C)C)Cc1ccccc1	1880368007	DXROYTMIXWYBSS-AWEZNQCLSA-N	249.373	4.551	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1CCC[C@H]1C	1896918886	XDGSAWYSAXCFSL-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCC[C@@H](C)CC1	1900694801	CCZZOTMEXOAVCY-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@H](CC(CC)CC)NC	1900701054	KMLPDZGRHYDGBQ-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)[C@@H](C)C(C)C	1901525500	FJIULJUYNCCBBB-KKUMJFAQSA-N	227.436	4.616	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H](CC)CCC	1905384241	WIRKPZKTLQRJQK-LSDHHAIUSA-N	228.420	4.924	0	10	BJAE	
C[C@H](C[C@H](N)CCC[C@@H]1C[C@@H]1C)CC(C)(C)C	1908577391	IQBZYWCBHYAPKB-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](C1CCCCC1)C1CC2(CCCCC2)C1	1912599657	PKHYNHDADHXXAW-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCCF)[C@@H](CCC)CC(C)C	1913286039	DJNHKJIDAHEQIJ-GJZGRUSLSA-N	245.426	4.567	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@](C)(N)c1ccc(C(C)C)cc1	1920458596	APQQFEUWHQQCJX-JJRVBVJISA-N	247.426	4.666	0	10	BJAE	
CC(C)CC[C@@H](N[C@@H]1CCCC12CCC2)C1CC1	1921502458	MHZFAEFLTKJFJT-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@@](C)(CO)C2CCCC2)CCCCC1	1923897263	QIHCXVIGTJTNLY-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
C[C@@H](C(=O)CCCC1(C)CC1)C1CCCCC1	1924095762	XNUBALJXFJYHMR-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CC[C@](C)(CN)C1CCCCC1	1924120296	XGKRYGYAYZAYOI-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CC(=CCl)CNc1cc(C)c(Cl)cc1C	1933589122	GDGJGLRNPXFBGA-UHFFFAOYSA-N	244.165	4.511	0	10	BJAE	
CC[C@H](C(=O)c1c(C)sc(C)c1C)C(C)C	1936211334	SRFNKNUOHSGXCW-LBPRGKRZSA-N	238.396	4.538	0	10	BJAE	
Cc1cscc1C(=O)C1CCCCCCC1	1938820298	PWSURONXLDCPGM-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCCC[C@@H](CCCC(C)(C)CC)NCC	1939118466	QHHRRLDJUBFXER-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H](C)C(C(C)C)C(C)C	1940245468	KFDWAVJYKMCJFO-CABCVRRESA-N	241.463	4.717	0	10	BJAE	
CC(=C[C@@H](C)CC(C)(C)C)c1cccc(N)c1	1940971533	SJTGMAWBRJJUSW-GFCCVEGCSA-N	231.383	4.744	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](O)C1=CCCCCC1	1941253859	XMFGIPCDSSGJCA-JKSUJKDBSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@H](CC)C(C)C	1941265396	VLRGYNBRZYNJBM-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(=O)c1cc(C)ccc1C)C(C)C	1941265627	XJJUYHWUKJURHR-CQSZACIVSA-N	232.367	4.558	0	10	BJAE	
N[C@H](CCC1CCCC1)c1sccc1C1CC1	1942505758	LURXISJPYVGIBT-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C[C@H]1CC1(C)C	1944740556	DHJZGKWIPZRZPE-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H](F)[C@@H](CN)CC(C)C	1945832608	VZFBUJLWFZTUAN-HUUCEWRRSA-N	245.426	4.552	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)c1cccc2sccc12	1945955024	CHLPKUIEGHTFOS-MNOVXSKESA-N	244.359	4.520	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCCCC1(F)F	1946985450	YWBISCUVYWQPAU-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)C1=CCCCCCC1	1948950603	HGYJWNGFKKCIDX-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C1CC(C)(C)C1	1949151425	UGBRWACUHTXEJS-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC(N)(CCC)[C@@H]1CCC2(CCCC2)C1	1949402119	ILBMBPALWVSXOT-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)[C@H]1CCC(C)(C)C1	1949421544	NJQCGGPFFIMWFP-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1CCC2(CCCC2)C1	1949497338	QMXVGSGQWJMICH-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CCC[C@@H]1CCC[C@H]1C(F)(F)F	1961406761	NZZKPKAQUUXIOZ-GHMZBOCLSA-N	220.278	4.711	0	10	BJAE	
CC[C@@]1(C)C[C@@H]1NC1CCC2(CCCCC2)CC1	1963195177	KRZLPEPOYPUZIP-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(NC2CC(C)(C)C(C)(C)C2)c(C)c1	1968255486	YEHDXPDWQCVGMX-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
Cc1ccc(NCC2C[C@H](C)C[C@@H](C)C2)cc1F	1968319737	BOWXWTZPJOLJOW-VXGBXAGGSA-N	249.373	4.618	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCC2(CCC2)C1	1970489958	WFJTZHSRJBSYGI-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1cc(C(F)F)cs1	1977101411	NTFXPFMXKAEMKU-MRVPVSSYSA-N	246.322	4.551	0	10	BJAE	
CCC1(C)CCC(N)(CCCC(C)C)CC1	1981060714	MMRSQSKCRUVEPT-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](CCC)CCC1=O	1984575413	MNPHJVUOTFSIGC-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
Cc1cscc1N[C@H]1CCCCCC12CC2	1985665541	QTXSTCGTBYQPOS-ZDUSSCGKSA-N	235.396	4.581	0	10	BJAE	
CCCCC(=O)C[C@H]1CC[C@H](CCC)CC1	1989838615	ITYDEVYLGBJZCL-HDJSIYSDSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H](C)N(C)C1CCCCCCCC1	1990821129	NHUNCLLPYUEHIX-CQSZACIVSA-N	225.420	4.610	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@@H]1CC[C@H](C)C1	1996262708	GEMZICZJNHSGDD-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1ccc2sccc2c1	1996359645	GKYGNUKSAWBOED-NSHDSACASA-N	245.391	4.892	0	10	BJAE	
CCCCC[C@@](N)(CC)C1CCC(C)(C)CC1	1996593723	HTBDIXIRTAYXCW-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](C)CNC[C@@H]1CCC[C@@H](CC)CC1	1997100138	LZNUXNDYKQGPAC-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)C(C)(CC)CC)CC1	1997104210	JJIDSKDKVKZTME-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC1CC(C(C)(C)C)C1	1998241140	QUGLDQGGVUMTPQ-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)C1CC2(CCC2)C1	1998649834	LAOACDQCPFPCIY-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)CCC1CCCCC1	1998748478	JGYOQCTXOJPFEN-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
Cc1csc([C@H](N)C[C@H]2CCC=CCCC2)c1	1999988571	RLPZONUGQOZOFM-UONOGXRCSA-N	249.423	4.583	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)C[C@@H]1CCC=CCCC1	2000001317	LAIHTWWCHIPDJZ-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCCC(=O)CC1C[C@@H](C)C[C@H](C)C1	2000196106	CNFYEMZTKPMIGB-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CCCC(C)C)C1=CCCCCC1	2000315631	NEQXOVYDEUUICY-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C1(CCC)CCC1	2000387463	KWPRHWNUCHCYOB-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCNCC(CC)(CC)[C@@H]1CCCC[C@@H]1CC	2000499691	MWNMHDXADXMYPC-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@H](C)CC(C)(C)C	2002515943	NBNNOBZGDCQBDZ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2CC=CCC2)C1	2002990351	ICCHHPXYBLKPGX-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CCCC2(C)CC2)C1	2003023273	WYRNARPMSHERRY-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1CCCC2(CC2)C1	2003284601	IOLCDQKGLVJVNX-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CC(=O)[C@@]1(C)C=CCC1)C1CCCCC1	2003322456	CGLYRSHAKAGSOY-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H](C)C1(C)CCC1	2004840014	MBHGFGGHOOOZNT-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(C=C2CCCC2)CC1	2007920125	IKANUNGZFWWQKV-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](C=C1CCCCC1)NCCC	2007940176	ONHREAZJLAMCIJ-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@H](C)CC[C@H]1N	2009419083	HOQMSWQPAALPHT-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)CCC1(C)CC1	2009537142	VSIKRGRNFQBCHY-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](C)(CCC1(C)CC1)CNCC(C)C	2009545104	WNJQPYVQFPMQON-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC=CCCC[C@H](O)[C@H]1CCCC(C)(C)CC1	2009590926	QXGNQTPNLNIRET-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@@H](C)C[C@@H]1NCCC	2009626155	DGVFPTPUHOZOFZ-CLTGJZPWSA-N	237.431	4.537	0	10	BJAE	
CCCC1CC(NCCC2CCCCCC2)C1	2009716859	YXLASKUXGUTESF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)C1=CCC(C)(C)CC1	2010747562	KUHOWRDJBUGMGC-LSDHHAIUSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@H](N)CC1=CC[C@@H](C(C)(C)C)CC1	2010767291	VMAWYCUTJVQSLU-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@](C)(O)CC[C@]12CCC[C@@H]1C2	2010969249	WFDCLTNGAGKACW-PMPSAXMXSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C[C@]12CCC[C@H]1C2	2010969576	ZAHTZANKPIILJW-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1C[C@@H](O)CC(C)(C)C1	2012059524	VXNATRZAZADRLK-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CC[C@@](CCCCCC(C)C)(C(=O)O)C(C)C	2012436254	XYZOYOGLMHXEME-HNNXBMFYSA-N	242.403	4.730	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)C[C@H](C)C(C)C)CC1	2015279129	UOLIBEWRCHMYHC-XUWVNRHRSA-N	240.431	4.636	0	10	BJAE	
CCC1=CCC[C@]1(N)CCC(C(C)C)C(C)C	2015389392	VJCBNHUWIILIAM-INIZCTEOSA-N	237.431	4.523	0	10	BJAE	
Cc1cc(N[C@H](C)C2CC=CC2)cc(C)c1Cl	2016331697	QRSSILRRZRAKTG-GFCCVEGCSA-N	249.785	4.723	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@]12CCC[C@@H]1C2	2016448897	WNSAPSQQXORIAV-IIAWOOMASA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)C2CCCCC2)CCC1	2017138003	FEFMVRVCWLUNSP-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)CNCC1(C(C)(C)C)CCC1	2017146585	URWAISBYZNLTER-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1c(C)cc(C)cc1C	2017746602	MRRMBSNVVPDRMZ-CQSZACIVSA-N	233.399	4.848	0	10	BJAE	
Cc1cc(C(=O)C2(CC3CC3)CCC2)sc1C	2017975291	YOTGVPPXOGRNHG-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCC1(C[C@H]2CCNc3ccccc32)CC1	2018996941	HUOCRBJBOVRDPO-CYBMUJFWSA-N	229.367	4.556	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)C[C@H]1CC[C@H](C)CC1	2019452787	WXKFNKSDVKNJNP-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)CCC1=CCCCC1	2019774219	SZRVHUVFCLBEON-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CCCCN(C1CCC1)[C@@H]1CCC[C@@H](CC)C1	2020635649	PDUMZRLLNRGFEC-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@@H]1CCCC(C)(C)C1	2024090930	CXTREXYUTKTSED-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
Cc1cccc(-c2nc(CC(C)C)cs2)c1C	2026535543	JZXWBTAWBSROTD-UHFFFAOYSA-N	245.391	4.625	0	10	BJAE	
CN[C@@H](CC[C@H]1CC1(C)C)C1=CCCCCCC1	2027815816	QJRRVBPCTOBUJX-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C(=O)CCC[C@H]1CC1(C)C)c1ccccc1	2027843873	UOOAJWMPBZCALL-HIFRSBDPSA-N	244.378	4.576	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc(C2(C)CC2)cc1	2028594389	WOSYNHYZVYULQM-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@H]1CCCC12CC2	2028636104	FWTBOQRRKCJSBI-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)C2CC[C@@H]3C[C@H]3CC2)CCCCC1	2028967106	HJLCWTCZUYKEQX-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(CC2CCC3(CC2)C[C@H]3N)CC1	2030090985	MBLGLNZXAVOSGN-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@@]23CCCC[C@@H]2C3)C1	2031830403	YFRUAIXMFRKQJG-RUCLQGLUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2032817438	ULZDKFRPAPGOTK-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)C2=CCCCCCC2)CCCCCC1	2037073541	FUAMFNMHZSXPOJ-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)C2=CCCCCCC2)C1	2037077537	CJGQRMPGOGLWJG-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@@H]2CC=CCC2)CC1	2037167565	XUZBQPSRXAQKGP-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)CCC1=CCCCC1	2037171260	DPBKHJPFRQEZKL-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](N2CC=CCC23CCCCC3)C1	2037677599	FJGWBVBTJCQKOM-HNNXBMFYSA-N	247.426	4.530	0	10	BJAE	
CCCCC[C@@H](C)NC1CC2(C1)C[C@H]1CC[C@H]2C1	2038950136	AYPVRKIVWFMCJP-AFEQQHIUSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)C1(CC)CCC1	2039720250	POXFDDKEAMVWOO-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCN[C@H](CCC(C)(C)C1CC1)[C@H]1CC=CCC1	2042016446	KFGANBWPAMMOEE-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H]1CCC=CCCC1	2045315929	YZTZCFKIJWPVPZ-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)C1CC(C)C1	2045330315	VGVGVUTZXXCHSW-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CCC1CC1)NC1CC2(CCCCCC2)C1	2046226225	FSUXDKWASMDUOV-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2CC(CC3CC3)C2)C1	2050217089	OUMHYAWJSGMINR-LKGAJIBZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)c1ccccc1C	2050457933	IMJSSJYFTVUUAE-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@@H](N)c1cccc(C)c1	2050466280	ZDVDWSOITKUOLL-HLLBOEOZSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1CC(CC2CC2)C1	2051398844	BEDAEHCYSDQDQY-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CC1(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CCCCCCC1	2052502400	IYEFGWVXAJMHKD-ZNMIVQPWSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)[C@H]2CCCCC23CC3)C1	2053416077	OKUKQPZANPHOPG-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(F)F)cc(Cl)c1C(F)(F)F	2054898051	MBDWQZKXKVCODI-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
O[C@H](C=C1CCCCC1)C1CC2(CCCCC2)C1	2056861835	CLIJIYRNOFAEII-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)CC1CC(C)(C)C1	2056873725	QFGBIBBTMSTRIB-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)CC1(C)CCCC1	2056875804	KLCHIZWTFMGQOF-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCC1(CC)CC(NCC2(C3CC3)CCCC2)C1	2058829445	ITKACFVKRGYARS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(C2=CC[C@@H](C)CC2)C1	2060913793	NHWNIOFJNWXPHN-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@@H](N)[C@H]2CCCCC2(C)C)CC1	2061094672	HYCIGHCZRTUSFO-HUUCEWRRSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@]1(CNC(C)(C)C)CCC[C@@H](C)C1	2061565131	BQBXIFRLEOMLIP-WBVHZDCISA-N	249.442	4.692	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCCCCC12CC2	2062016024	CRMYSEKBZJQEOM-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CN(CC1(C)CCCC1)[C@@H]1CCCCCC12CC2	2062196270	KZGSATSKHPMJFE-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063481579	VMOOYEWADWZFQF-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCC1	2063486345	IOFYPDAGVCNONG-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C1CC2(C1)CC(C)(C)C2	2063807053	BYSSCHBZJOMTNJ-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cc(C)c(O)cc1C	2065991288	VTUJGCJZHXARDT-AWEZNQCLSA-N	249.398	4.636	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CC1CC(=C2CCC2)C1	2066062888	CZRFNZXIMQDEGN-AWEZNQCLSA-N	249.442	4.633	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1cccc2ccccc12	2068985033	UFCWNFSVMICNQX-CYBMUJFWSA-N	240.346	4.705	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2CC[C@H]3C[C@@H]2C3)cc1	2069220815	NNYIGRUJHLRUHE-LNCBFAARSA-N	243.394	4.801	0	10	BJAE	
CCCC1(Cn2ccc3c(F)cccc32)CCC1	2069278155	FQRMSAMHBNJGNZ-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C2(CC3CCC3)CC2)C1	2069580353	IWSGHYFPTILNHB-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@H]1CCCC12CCC2	2070412897	GWDUFWQPCJOLKR-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@@H](N)CC2(C(C)(C)C)CCC2)c1	2071942436	DQILSSCMOKSUCT-HNNXBMFYSA-N	245.410	4.601	0	10	BJAE	
CC(C)C1(C=C2CCC(C)(C)C[C@H]2CN)CCC1	2071946662	SGDFPKZMJVXARG-HNNXBMFYSA-N	249.442	4.524	0	10	BJAE	
CC1(C)C[C@H](C=C2CCC(C(C)(C)C)CC2)CN1	2073121229	ZDIJORIMJWRYMB-MLCCFXAWSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)c1ccc(C)c(C)c1	2074634792	UZNMQOGBSQFLNW-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)N([C@@H](C)c2ccccc2)C1	2074792766	LQUOSMDSENVMND-YQQAZPJKSA-N	245.410	4.504	0	10	BJAE	
CC(C)CCCCCN(C)[C@H](C)c1ccccc1	2075153410	FRFVNQCYCCXEOD-MRXNPFEDSA-N	247.426	4.896	0	10	BJAE	
CCC1CCC(C(=O)c2c(C)cccc2F)CC1	2075980261	FFOXCQHWHMPJNE-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1c(C)cccc1F	2076041071	PARCGJAUFNFGLH-DRDHIDPGSA-N	249.373	4.531	0	10	BJAE	
C[C@](N)(CC1CC1)C[C@H]1C[C@@H]1C1CCCCCC1	2079819707	OFZXPGXVEJCXOB-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H]1C[C@H]1C(C)(C)C)C(=O)c1ccccc1	2079845647	ZEYQHDMDOSHBEQ-VHDGCEQUSA-N	244.378	4.578	0	10	BJAE	
CC1CC(C(=O)C[C@H]2C[C@@H]2C2CCCCCC2)C1	2079855037	YIDMYPZQMZCWMO-IGDQZBHYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C[C@@H]1C1CCCC1)C1CCC1	2079883126	DATORXVTPWHHBK-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CC(C)CNCC1(CC=C2CCC2)CCCCC1	2081681724	DROHTPLRJJDAOQ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1C[C@H]2CCC[C@H]1C2	2086157736	IPDIAWZDLCRAMB-HJWJTTGWSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1scc(C)c1C	2210579217	VQVOVVDLGZQCGX-CHWSQXEVSA-N	239.428	4.581	0	10	BJAE	
Cc1csc(C(=O)CCC2CCCC2)c1C	2210579325	WZQSQGGIFYKNSP-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CC1CCC(C/C=C/c2ccccc2)CC1	2210661868	GOJJCJFAIIQKQH-VMPITWQZSA-N	214.352	4.916	0	10	BJAE	
CC(C)(C)[C@H](N)CCCCCCCCC1CC1	2216876935	HJDDZWCGEDNRMV-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)CC1CCC1	2216879511	JTOMUFJRPDDBHO-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218333471	PERYHTYDYOBHLN-SDADXPQNSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1[C@H]2CCCC[C@H]21	2218725112	LGYWUUZSLROZRX-QLPKVWCKSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@H]1C[C@H]1C1CC1	2218727735	WFJUXSYFWUAWLB-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CC)[C@H]1C=CCCC1	2220878091	MBIJKNLGXOGSDB-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1C[C@H]1CCC1(CNC2CC2)CCCCC1	2220881912	VREMOQLTUHYSDV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2221596327	BOZRBXGHOBYTPN-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@H](CNC2C(C)(C)CCC2(C)C)CC1	2221665328	OCJYVWJVBPMDQQ-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@@H]1CC2CC1C2	2223132093	GDKSSAXLJOQSJJ-UYSNPLJNSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)c1ccc2occc2c1	2224129888	BJCWUJPPNKSCJF-WBMJQRKESA-N	245.366	4.505	0	10	BJAE	
CCC[C@H](CC)C(=O)C1CCC(CC)CC1	2244767096	DIXWGYWPFIDKOB-MOKVOYLWSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(F)c(Cl)c1	2244802617	WSOAOFSDXWOXKG-SNVBAGLBSA-N	243.753	4.717	0	10	BJAE	
CCCC(C)(C)NCC[C@H]1CCCCC12CC2	2246644953	VYSVJNTWWOMSMZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCCC[C@H]2C[C@H]2C)C1	2247159782	PKGSPXUNXXXALF-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
C1=C(CN2CCCCCCCCC2)CCCC1	2247489692	IKULLMUIKGKAKH-UHFFFAOYSA-N	235.415	4.533	0	10	BJAE	
Cc1cc(C(=O)CC[C@H]2CCCC23CC3)cs1	2247643253	MMGPZSKEAOPCIG-CYBMUJFWSA-N	248.391	4.600	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@H]1CCCC12CC2	2247665551	PMDRHFRPQMPLIB-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cc(C)c(C)c(C)c1	2249491515	SAEUZYKGROWBLW-HOCLYGCPSA-N	231.383	4.602	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCC(F)(F)CC)NCC	2250373928	WFNZXEZRZUPHJJ-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(CN)C(C)C	2250490331	IBOWKCKDMQPZQZ-HOTGVXAUSA-N	241.463	4.850	0	10	BJAE	
C/C=C/CCC[C@@H]1[C@H](N)C(C)(C)CCC1(C)C	2251697991	QDJPZUJNFOQROG-AFJNRPGYSA-N	237.431	4.523	0	10	BJAE	
CCCCC[C@@](C)(O)c1ccc2ccsc2c1	2253085478	COZGKKPWPIZTKO-OAHLLOKOSA-N	248.391	4.689	0	10	BJAE	
CC1(N)CCC(=CC[C@H]2CCCCC23CC3)CC1	2253813453	QCTSFVUZMLVQKZ-AAFJCEBUSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@@H]1CCCCC12CCC2	2254520051	GWWGGBSRKVKKQO-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNC1(C2CCCC2)CCC1	2254530821	KQQPYPQKOVVKRW-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC12CCC2)C1(C)CCC1	2254824365	GKOSMKHXSPCERP-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC12CCC2)C1(CC)CCC1	2255022774	GTFMUVWGHJNITP-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)C[C@@H]1CCC12CCC2	2255029115	QONHGXGMXKRNHK-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC[C@@H]1CCCC12CC2	2255314215	YWJJRXOMICMIIH-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)CC[C@@H]1CCCC12CC2	2255332287	SKZVWHXRVWUEDL-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@H]1[C@H]2CCCC[C@H]21	2257315671	MVJAUNWQAGSFGJ-WVCIDPQESA-N	248.410	4.598	0	10	BJAE	
CC(=CC1CC(CC(C)(C)C)C1)[C@H]1CCCCN1	2261301798	QUDDLGMTANMOMW-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CCC(C)(N)CC2)C1	2261302424	VZKFKXGFVFSDLH-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1ccc(CF)cc1	2298841035	XXXUYZIXIHWSMT-ZDUSSCGKSA-N	237.362	4.783	0	10	BJAE	
CCC(CC)CC[C@]1(CO)CCC[C@H](C)CC1	2300688392	MRKAQTRRXCYTSB-HOCLYGCPSA-N	240.431	4.782	0	10	BJAE	
CCC(C)=CC[C@@H](NC)C1CCC(C)(C)CC1	2300870112	QQKMMGKPYBJHSX-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1(CC(C)C)CC1	2300872234	NNZXNZDKBOKJMV-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCC(=O)c1cccc(C(C)C)c1	2303709799	NOEXHDZMPWVGSY-UHFFFAOYSA-N	230.351	4.739	0	10	BJAE	
CCC[C@@H](C)CN(C)CC[C@H]1CCC(C)(C)C1	2304395195	ZEBWBKJUFJKJLE-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CC[C@H](CCNC(C)(C)C(C)(C)C)C1	2304420779	PYNPPKHMJSODKW-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCNC2(CCCC2)C1	2307829778	WZLASSFGNSJOSV-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@@H](C)C[C@H]1NCC	2307898596	LFSODVJEOJOKDA-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@H]1C)C[C@H]1CCC=CCCC1	2310971378	DIWGJGKRRHZNMZ-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](CCN[C@@]23CCCC[C@@H]2CC3)C1	2313311609	NPJATVQPFJWOES-YLFCFFPRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CCN[C@@H]1CCCCC12CCCCC2	2316493517	YLCWRMQXEVFKEB-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC(=CCN[C@]12CCCC[C@@H]1C2)CCCC(C)C	2316498192	ZZQNKHIDJGUUBF-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@]1(N)CC12CCCC2)CCCC(C)C	2316525654	FBBVGLIVQDNFIL-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCCCC2=CCCCC2)CC1	2318530984	GTZJROJQSIIWAX-NVXWUHKLSA-N	249.442	4.825	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@H]2C[C@H]21)C1(C)CCCCC1	2319340254	KBQZVGODZPXJEA-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
C[C@](N)(CC[C@H]1CC[C@H]1C1CC1)CC1CCCC1	2319740308	KQXDRPLVLKAJNP-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@@H](N)[C@]1(C)CC=CCC1	2320244187	QNZNANAHAPWGEP-KCYZZUKISA-N	249.442	4.523	0	10	BJAE	
Cc1ccc(OC[C@H]2CC[C@H]2C(C)(C)C)c(C)c1	2320256586	RBWRLBKJULIIAN-HUUCEWRRSA-N	246.394	4.755	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCCC3(CC3)C2)CC1	2320339306	CPBBIDOHLODPTC-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](CNCCC[C@H]2CC2(C)C)CC1	2320375775	XASLBNIEQJKCEY-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)[C@H]2CC[C@H](C)CC2)CC1	2320409919	ZKEKCPINAGEVIF-OSMBCOQSSA-N	249.442	4.667	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCC[C@H]2C(C)C)c1	2321091158	IRQDYFVCUUPHLK-JKSUJKDBSA-N	249.373	4.625	0	10	BJAE	
CC1=CC[C@](C)(NCC[C@@H]2CCC(C)(C)C2)CC1	2321628307	QONWMAYSZUWADN-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)C[C@@H]3CCCC[C@H]32)C1	2321646216	VJIRMBSOYGAWAJ-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)Cn1ccnc1C1CCCCC1	2328160228	UCAYACLTLXTTDX-CQSZACIVSA-N	248.414	4.757	0	10	BJAE	
Cc1ccc(NC[C@H](C)c2ccccc2)cc1C	21011091	WXMODWWIOGTLJH-HNNXBMFYSA-N	239.362	4.519	0	10	BJAE	
CCCC[C@@H](NCCC)c1cccc(Cl)c1	38813642	BPKXRKDHMBAKHM-CQSZACIVSA-N	239.790	4.571	0	10	BJAE	
CCCC[C@@H](CC)Nc1cccc2ncccc12	69370333	IVKXTVCMSQBYFR-CYBMUJFWSA-N	242.366	4.616	0	10	BJAE	
CCCCCC[C@@H](N)C1CCC(C)(C)CC1	83778711	XQDLKBKBJHHPKB-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CCCC[C@H]1Nc1cccc(Cl)c1	86842493	QGLPLCDLYFUAIH-CYBMUJFWSA-N	237.774	4.721	0	10	BJAE	
C[C@@H](CC(=O)c1sccc1Cl)C(C)(C)C	87621107	KEBJZCCUKACYDE-QMMMGPOBSA-N	244.787	4.657	0	10	BJAE	
CCCN[C@@H](C)C1CCC(C(C)(C)CC)CC1	91353939	RKICBIOUCMSFQA-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)NCC1C(C)(C)C1(C)C	92804343	TWYYDKLKGWWUSY-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)C2(C)CCCC2)c1C	94906742	JZXWBEPDLBFYBR-INIZCTEOSA-N	246.394	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1ccc(C)cc1C	109784798	CYGMLHSPPTZEMI-GOEBONIOSA-N	234.383	4.553	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@H](C)C2)CC1	131245416	VTBWBSANNIDPHY-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)C[C@](C)(CNC(C)(C)C)C1CC1	164233027	LWOWFQLXLPXOPH-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](CNC(C)(C)C)C1CCCCCC1	167932739	NCQIXXDGUUHGFR-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C[C@H](O)C=C1CCCCCCCCCCC1	168409027	CZHLXOSBZNEKDY-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2cccc(C3CCC3)c2)C1	168877397	GGPYVPWQVKLSKN-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CC(C)c1ccc(CC[C@H]2CCCCC2=O)cc1	213146581	YWOTWNBDMWGBAO-MRXNPFEDSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)c1ccc(C)o1	225976450	FQDWLJVLXUCCST-KGLIPLIRSA-N	237.387	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@]2(N)CCC[C@@H](CC)C2)C1	226988737	JUNWXNJOSJIBMT-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@H]1CCC[C@@H](CC)C1	226995904	GFFUIFSXEZGXAG-PVAVHDDUSA-N	245.410	4.554	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC[C@H](C)[C@H]2C)c(C)c1	227028814	IXZZUEGOKWNTTC-APHBMKBZSA-N	245.410	4.848	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1CC[C@@H](C)C1	227415268	OVKZOTDZJYZBPK-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc(OCC2CCCC2)cc1	232358347	GIHLVTTWIATDHK-ZDUSSCGKSA-N	232.367	4.769	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1ccc(Cl)o1	232991996	ZNLDEPLAPKPKSP-MNOVXSKESA-N	244.762	4.573	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1ccoc1Cl	233009458	ICGQNPGTXOZKNZ-ZYHUDNBSSA-N	244.762	4.573	0	10	BJAE	
CCCN[C@@H](c1ccccc1CC)[C@H](C)CCC	233180337	JCZZLFBYWWDHNR-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)C1(C)CCCCC1	233333158	DUEMYSVMSNNGLH-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](CCC)CC[C@H]1CN	250821545	LJPWPTZFFFEXIL-XHSDSOJGSA-N	239.447	4.748	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1[C@@H](C)CCC[C@H]1C	252097894	FTTHFEJRJMZCLK-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)CCC1CCCC1	300947153	WSFZCIBAPDCRFT-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CCCCC2(C)C)CCCC1	310271503	NLSKGTVCLSHDAW-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@H](CCC2CCCC2)NCC)CC1	310284129	LRURLXHWVQYNLE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)c1ccccc1C	310993654	SXJIGTLDYFXROM-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(O)CCC(C)(C)C)C1	379731505	UFDVVNIHUGUPIX-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(F)cc1OCCCCCC(C)C	383210060	BWHPAYDOESMDPM-UHFFFAOYSA-N	238.346	4.729	0	10	BJAE	
CCCCC[C@H](C)NCC1CCC(C)(C)CC1	383562985	IPCBUABQZJACCE-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CNCC)C[C@H]1CCC[C@@H](C)C1	383899576	NLRAMDURJRDKEH-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)C[C@H](C)Nc1nccc2ccsc12	384058502	PFNWVBLEDJSQJM-MNOVXSKESA-N	248.395	4.533	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)CCC(C)(C)C	384149586	PMTFNQHSRHKAIH-GFCCVEGCSA-N	237.362	4.761	0	10	BJAE	
CCc1ccccc1C(=O)CC1CCC(C)CC1	385189000	NUAXPLSMMMPLMQ-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H](C)c1ccc(O[C@H]2C[C@H]3CC[C@H]2C3)cc1	385367868	MYQHWDXXPQAWDD-RMRKRWHISA-N	244.378	4.768	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1ccc2sccc2c1	386643889	OWBPPRDDBMTLEB-IAQYHMDHSA-N	248.391	4.617	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(C)cc1OC	395164776	KOWDEXFCWBQEFX-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)CCC1CCCCC1	395616513	GQGCXLAFYUYADK-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CSc1ccc2c(F)c(C(F)F)sc2c1	396257201	VWBMDZDCZOTERT-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@H]1CC=CCC1	402231658	YBQIGQBIULWVLP-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCNCC1(CCCC2CC2)CCCCC1	405961684	NISPDMVTYNLKEL-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCOC1=C(C(C)(C)C)C=C=C[C-]1C(C)(C)C	575154744	IEKMLYYGVXDHLQ-UHFFFAOYSA-N	233.375	4.669	0	10	BJAE	
CC[C@H]1CC[C@H](c2ccc(C(C)=O)c(F)c2)CC1	585668829	LGWFPKUHJVIJQJ-JOCQHMNTSA-N	248.341	4.712	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)c1cc(C)ccc1C	686311099	SCOUABFLYJGMDY-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(O)CC1CCCCC1	689732363	HEJPYUARLDQZQT-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCC1(CN[C@@H]2CCCCC[C@H]2C)CCC1	691052868	HTJAUZDXWDAWNO-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC1CCCC1)NC[C@H]1CCCC2(CC2)C1	695728162	DLEHETJUJBYYIY-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC=CCC1)CC(C)(C)CC	696250848	WPJSLTAIDDWNKQ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)CC1CCC1	696563050	UNDXFWMLIPNQHG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1(C)CCCC1	697759346	GPLYJKJEPZAKRK-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCc1ccccc1OC[C@H]1CCC[C@@H](C)C1	699494472	XCJQHFVLAMXLSZ-CABCVRRESA-N	246.394	4.844	0	10	BJAE	
CCC(C)(CC)C(=O)c1csc2ccccc12	701393934	XSJYRNSNQRWUEY-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C1CC(C)(C)C1	701460478	SSRUEECBOMJSDX-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@](N)(CC)CCC	704868205	RKFUXNXDDBMYBN-KBPBESRZSA-N	213.409	4.501	0	10	BJAE	
CC[C@](N)(CCC1CCCCC1)[C@@H]1CC1(C)C	704986499	XXTGYDFNYUCRKC-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(CCCCCC(C)C)C1CCC1	705376255	LRNJGAZCBZKBLQ-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]3CCC[C@H]32)c(Cl)c1	707861549	ROOUIYWYAOBYCF-OUCADQQQSA-N	249.785	4.639	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)CCCC12CCC2	709173782	CRRRWAGLUJLEDQ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@@H](C)CC(C)(C)C	709252220	YRDFLUSDSFCJSL-ZFWWWQNUSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@@H](CCC[C@H](C)C(C)(C)C)C(C)C	711225629	MLNZYIHZDPKWLQ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC/C=C/C[C@H](C)c1ccc(OC)cc1Cl	714558012	WSUQXWHTWZFNIX-QRGHLMKCSA-N	238.758	4.808	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@@H]1CC[C@H]2C[C@H]12	716892724	GCFAKVVQQQKRAI-OFQRWUPVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1[C@H]2CCC[C@H]21	718634484	OXTNCTAGFZMGPL-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)C1(C)CCC1	720771601	HRZHXZCTRQGXHQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1COc1cc(C(C)C)ccc1C	723145733	AMVWETPVQVLOHU-ZFWWWQNUSA-N	232.367	4.543	0	10	BJAE	
C[C@@H]1CC[C@@H](S[C@H](C)c2ccc(F)cc2)C1	1458932661	APLKDMJAAVACOG-JTNHKYCSSA-N	238.371	4.809	0	10	BJAE	
CC[C@H](C)[C@@H](C)SCc1cc(C)cc(C)c1	1472999788	DTCVNCXIHPUBMR-UONOGXRCSA-N	236.424	4.971	0	10	BJAE	
CCC[C@H](NC1CCC(CC)CC1)C(C)(C)C	1652489612	CVPABEJFPDSJKH-NRXISQOPSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CSc1ccccc1	1656053272	BZVWIYCZRHWFBD-CHWSQXEVSA-N	220.381	4.605	0	10	BJAE	
CNC[C@]1(CC2CCC(C)(C)CC2)C=CCCC1	1916612903	QYFYFTLUOBAFMI-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
OC1(CC2CC2)CCCCCCCCCCC1	1919620000	FRLGWAXTGKYVMB-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CCCC1CC([C@@H](O)C[C@H](C)CC(C)(C)C)C1	1921189225	OMYPWTUXIPMXLC-PPWQZUPISA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)[C@H]1CCCC12CCC2	1921613791	QQRHDIOCSVCERO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1=CCCCC1)[C@@H]1CCCC12CCC2	1921620922	RAMPOYDYNYFCBA-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(NC2C[C@H]3CCC[C@H](C2)C3)cc1F	1923471149	ODGUGRLNKXXWFS-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
CCc1ccc(CC[C@@H]2C=CCCCC2)cc1	1925835934	QYIWNIRVHDHBRS-MRXNPFEDSA-N	228.379	4.928	0	10	BJAE	
CCCNC[C@@H]1CCC[C@@H]1C[C@@H]1C=CCCCC1	1925891172	IOVNSHDELZBHMA-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CCNc1c(C)cc(C)cc1C	1926161004	DZRAHDJFGCWMKD-UHFFFAOYSA-N	233.399	4.850	0	10	BJAE	
CC1CC(CC(=O)C[C@@H](C)C2CCCCC2)C1	1927013533	OFDJWMNDNGWWBP-ROKHWSDSSA-N	236.399	4.598	0	10	BJAE	
Clc1ccc(Cl)c(CC[C@@H]2C=CCC2)c1	1932591613	AXSPPGNMRJPPNZ-SNVBAGLBSA-N	241.161	4.892	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1cc(Cl)sc1C	1933560490	NKDNVHNEMCGILU-LDYMZIIASA-N	246.803	4.570	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cc(Cl)sc1C	1933585636	GFGLFIBEJNBBQK-PRHODGIISA-N	246.803	4.570	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCC1(C)CC1	1935877809	XBNRDINJFWJDPJ-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC(C)CC[C@@H](C)C1(N)CCCCCCC1	1937167733	FCVUWFCHZQIGPK-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CCCC1CCCCC1)NC	1939118902	SSBQUWKQTBYLME-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H]3CC[C@@H]32)cc1Cl	1941018571	DTFFTJHDPUMLLP-CORIIIEPSA-N	249.785	4.503	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)C1=CCCCCC1	1941253857	XMFGIPCDSSGJCA-HZPDHXFCSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CC1(CC)CCC1)NC	1941263973	PYJLSTHDBZTEPQ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@H](CC)C(C)C	1941273819	VPBNAEJVYKMJSA-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](NCCCCCC1CC1)C1CCCCC1	1941581974	QLTXILKZPBYGEW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)CC1CCC=CCC1	1941794492	ZIJKHPXENROZOH-DZGCQCFKSA-N	237.431	4.523	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@H](C)CCC(C)C)CC1	1942663068	RUYIZWQURRWBIR-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@H]1C=CCCC1	1947562636	QWPVPMLPNNPDCW-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)NCCC1=CCCCC1	1948326701	MMZPCONBIITYBO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)NCCC1(C)CCCC1	1948327523	PRAXUMRCZKTXFR-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCCCC1(C)C)C1CCC1	1949035717	XOYBHTKYVRBYMS-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@@]1(CC(C)(C)C)CCC[C@@H](C)CC1	1950925222	RHMDZGMMOGQCRZ-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C1(CC)CCC1	1951235446	UVOBSPZKMWEICK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)c1ncc(C(C)C)s1	1960044091	LJFOEHURDURDJE-LLVKDONJSA-N	225.401	4.950	0	10	BJAE	
CCCCC1CC(Nc2ccccc2SC)C1	1968330218	XYAHIXKNLLTQRV-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CCC1(CC)CCC(N[C@H](C)c2ccoc2)CC1	1970466598	CFMUJQXFUASVLI-CYBMUJFWSA-N	249.398	4.679	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)CCC1CC1	1971390455	WTPYLRHSZWVTCW-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CCc1ccc(N[C@H]2CCC3(CCC3)C2)cc1C	1972023748	VETIYUCALSTZNP-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
Cc1cc(NC[C@@H]2CCCC(C)(C)C2)cs1	1980273359	CZONDYLJDXJGSJ-GFCCVEGCSA-N	237.412	4.685	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1cscc1C	1995254824	WTFDREVCLJOJEJ-SMDDNHRTSA-N	240.412	4.696	0	10	BJAE	
C[C@H]1CC[C@@H](CC(C)(C)CCNC(C)(C)C)C1	1996247002	DJLQRLREGDLIGX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@H]1CC[C@@H](C)C1	1996260330	NRSIKEJGZWQGEE-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(Cl)c(NCC23CCC(CC2)C3)c1	1997005444	DLQVNAZBWBPVPC-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
C[C@@H](CC(=O)C1CC(C(C)(C)C)C1)C(C)(C)C	1998242053	WRRPGJFDVAUDKN-HIFPTAJRSA-N	238.415	4.700	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCC=CCCC1)C1CCC1	1999988891	UXAJLZPDYQTRNR-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](CC(C)C)C[C@@H]1CCCC(C)(C)C1	2000176333	NGZLBNYQEFHNQZ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	2000215461	VPIAOURCMWKUMX-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2003013418	HDMYHTCTYQESHD-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCCCC[C@@H]1NCC	2003097307	FMLHPRLTVQKNJW-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@@H]1CCCCC1(C)C	2004226051	GHPATUHOLSKFIL-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CC[C@@H]1CCCC[C@@H]1CNC(C)(C)C	2004227419	SJYMMYSCICHWOB-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(CN)CCCCC1(C)C	2005589112	KLXKVFXOOIFVFT-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
F[C@@H]1CCCC[C@@H]1Nc1cccc2ccsc12	2006686132	ZMPFETUEEUMLMH-NEPJUHHUSA-N	249.354	4.594	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@H](O)C1(C)CCCCCCC1	2006714191	NQQOUCJGVNZTDG-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CN[C@H]1CCC(C)(C)CC[C@H]1CCCC(C)C	2009406825	JIRYPBVRHOJJHI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCC(=O)[C@@]1(C)CCCCC1(F)F	2009571666	JVJKZGWGARPOPC-ITDFMYJTSA-N	244.325	4.518	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1CCCCC1	2009595217	JIDAIAQHXYELAO-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CN(CCC1(C)CC1)C1CCCCCCCC1	2009604794	KOSLYZLVEZHEEH-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1CC1(C)C)NCCC	2009626320	DSXWWBURXRCXCV-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](O)CCC(C)(C)C)CC1	2010712221	HIEUJHZGAZGJNN-DZGCQCFKSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@](C)(O)C(C)(C)C)CC1	2010724060	YCJJVGVOKYLBGC-MLGOLLRUSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCCCCC12CC2	2011272339	QMDONZXYNBXCBA-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1CCCCC1(C)C	2013263023	FBUYDGPMDJJSPN-LSDHHAIUSA-N	239.447	4.760	0	10	BJAE	
CC(C)C(CC[C@]1(O)CCC(C)(C)C1)C(C)C	2015337149	WNTJWZBKWWEWBK-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCC[C@H](C)C2)CCC1	2015598289	SJUBUQKSKMNOHF-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CCCC[C@@H]2C)CCC1	2015636412	XEUUTNYVUIXNHA-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](N)C[C@H](C)C(C)(C)C)CCC1	2015643766	GJWMGVVQDSFWBH-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)CC1(C(C)(C)C)CCC1	2017126034	VRJQABPOSQDYEE-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC1(C(C)(C)C)CCC1)[C@@H](C)CC	2017138256	IBHQBORLOKKINF-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)CCCC2CC2)CCC1	2017143321	MOYUOGBFCRESPD-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CC(N)(C[C@H]2CC[C@H](CC)CC2)C1	2017730083	CQXLRUNZHQDYBU-MSBXVQKDSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCC12CCCC2	2018141156	LGIJIXLZQNLEMH-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCCC1(CC(=O)C2(C)CCCCCC2)CC1	2018925654	SMSVCQSSINNBFD-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)CC2(CC)CC2)CC1	2019000934	UFKCRLMDVDQJLG-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H]1CCCC(C)(C)C1=O	2020394995	YTGHARBKORNTNI-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCN(CCCC1CCC1)C1CCCCCC1	2020503744	IYZNYEWWEUBNPH-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1C[C@@H]1C(C)(C)C	2022451545	OXIHCHLFYDCSQK-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CSc1cccc(NC[C@H]2C[C@H]2C(C)(C)C)c1	2022477214	JBQLWNUJYARSHE-BXUZGUMPSA-N	249.423	4.503	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCC)c1ccoc1	2026170747	SDSOMGHTYLJZCV-DZGCQCFKSA-N	237.387	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1ccccc1C(C)C	2027518659	UGQCWXNKBWCORN-RHSMWYFYSA-N	248.410	4.916	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)c1ccc(C)cc1	2027731345	CCPQUANXKPKLGH-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
C[C@H]1CC=CC[C@@]1(CN)C[C@@H](C)C1CCCCC1	2027924318	UCCDJPYQJGHDCI-VYDXJSESSA-N	249.442	4.524	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1c(C)c(C)cc(C)c1C	2028252696	QGBQPLXITYHULO-NVXWUHKLSA-N	247.426	4.602	0	10	BJAE	
CCN[C@H](C=Cc1ccccc1)CCC(C)(C)C	2028583521	LBLYYWHANCRYKC-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)C(C)(C)C1CCC1	2028869379	HANYVWSGRMSPMH-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CC2CCC=CCC2)C1	2028872194	AUYSSPFXWSNXIB-HZPDHXFCSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC1CC(C2CCC2)C1	2029285166	WFQXXKOLHCGHAU-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](Nc1ccccc1C1(C)CC1)C1CCCC1	2032243637	YBADDAPUZGLNEW-CYBMUJFWSA-N	243.394	4.729	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@H]1CCC[C@@H]1C	2032483592	KMQXUWCTBUGHTB-KBPBESRZSA-N	244.378	4.819	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)CC[C@H]2CCCC[C@H]2C1	2032516171	XGRWCDJMHRGXLR-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H]1[C@H]2CCC[C@H]21	2032826535	XZHHWHBIUUFUSL-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@H]2CCC(C)(C)C2)cc1	2033398873	BXXXNIXMLIEOIN-JKSUJKDBSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2036664952	MVAUIEFSYOJPEG-LJIGWXMPSA-N	249.442	4.514	0	10	BJAE	
N[C@]1(C[C@H]2C=CCCC2)CCC2(CCCCC2)C1	2037306419	OOEWHIHAPBGPHP-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC(C)C1([C@@H](N)[C@H]2CCC3(CCCC3)C2)CCC1	2037699658	CQEJBJGQNHMABR-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC2(CCCC2)C1	2037705520	VHNWWAXLAWVEKH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CCC2=CCCCC2)CC1	2039372335	CDVNRBNBMRGNAR-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
N[C@@]1(CCC2=CCCCC2)CCCC2(CCC2)C1	2041289862	LUMCJMZLFLGKJR-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@@H]1CCCC[C@H]1CC	2042023972	HKJZNMLYVMOERE-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)C[C@@H]1CCC=CCCC1	2045329711	QDDQOVURPCHGAF-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CCC1(CC)CCN(C[C@H]2C=CCCCC2)CC1	2046572847	KKDPKKBOGHWDAE-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CCC[C@@H]1CCCCN1C[C@H]1CC12CCCCC2	2047027972	WHGMQHZFGLIJPD-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2048369562	FRORCKIETCXUOO-NYTXWWLZSA-N	248.410	4.598	0	10	BJAE	
CN(CC1CCC2(CC1)CC2)C1(C)CCCCC1	2049932387	JFIQHDCHLAVELS-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1C2CCCC1CCC2	2050043558	VAKUVRFGPSKFTA-MOINJDMASA-N	249.442	4.514	0	10	BJAE	
Cc1cccc([C@H](N)CCCC[C@H]2CC2(C)C)c1	2050460864	NOZCLDMJVFBSMH-JKSUJKDBSA-N	245.410	4.601	0	10	BJAE	
CCC1(CC)CCC(N)([C@H]2C[C@H]3CC[C@H]2C3)CC1	2051592393	APHWJCFJPYSVFA-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCC(NC2C[C@H]3CC[C@@H]3C2)CC1	2051593458	PESJIQVCISNKKX-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC1(C)CC1)[C@@H]1CCCCC12CCC2	2053412273	OHPFYUQHRZURGT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@@H](N)[C@@H]2CCCCC23CC3)CC1	2053415570	JVZJOSPDLCWDKZ-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@H]2CC23CCCCC3)CCC1	2055595794	GMQCPSOGPUHKAB-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCCCCCN1[C@H]1CCC2(CCCC2)C1	2057104135	XGPMUVMDGIOMPU-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1(C2CC2)CCCC1	2057610173	XNRNCFJOWNEZDD-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@](C)(N)c1c(C)cc(C)cc1C	2059194970	BMNJUHNHZJABFX-QGZVFWFLSA-N	245.410	4.532	0	10	BJAE	
CCCCCC1CC(NC[C@@H]2CCC3(CC3)C2)C1	2059391538	DGGQCYREICZWFQ-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CC2CC(=C3CC3)C2)C1	2061703582	GZXYOXPZGMVQRC-GDBMZVCRSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@@]1(CC2CCC3(CC2)CC3)CCCN1	2062810790	MRVQWPZOPCSPNV-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063480160	JEGCOVCQBJYCCP-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2063497358	QDNHIHCVWJHCNN-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC[C@H]1C)c1occc1C	2063677158	FRTSOZMJYZISMP-SNPRPXQTSA-N	249.398	4.598	0	10	BJAE	
CCc1cccc(OCCC(C(C)C)C(C)C)c1	2068988617	GKEOOMJJJLTQBG-UHFFFAOYSA-N	248.410	4.946	0	10	BJAE	
C1CCC(CCCNC2(CC3CC3)CCC2)CC1	2069496566	PYSBBTBGFUOZEZ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)C1(CC2CC2)CCC1	2069512540	CEFFRNISQJTKFT-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
N[C@H](C1=CCCCCCC1)C1(CC2CCC2)CC1	2069566544	LBQATEVUFBCPHB-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]2C2CCC2)cc(C2CC2)c1	2071792119	YPBMLCNKIOZUCT-IAGOWNOFSA-N	241.378	4.555	0	10	BJAE	
CC(C)(C)C1(CN[C@H]2CCC23CCCC3)CCC1	2071933077	JMOLIOXKDJJKAS-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1CC[C@@H]2C[C@H]2CC1	2072424608	LAXYVHKDSHGXML-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2C[C@H](CN)C2(C)C)CC1	2072812251	KGSWUBUMGIVBEX-IIAWOOMASA-N	249.442	4.524	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)CC1	2072875477	OOLWSRMCBJLWRX-LISQQWEMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@]12CCCC[C@H]1C2	2074034661	RXYHUZKAHLZURP-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CCC=C1CCN(CC2CCC(CCC)CC2)C1	2075308123	SPNCVDUZWMFEOI-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC(C)(C)NCC1([C@@H]2C=CCCCC2)CCCC1	2075364746	IRKVUIACBJSHKR-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC=C(CC)[C@H](CC12CCC(CC1)C2)NCCC	2077188058	SMHJEKSDXMESRG-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C[C@H]1C1CCCCC1)C1CCC1	2079486056	LZYXLCQTIYZGGK-KCXAZCMYSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1C[C@H]1c1ccccc1	2079551767	AHLRSZIPJIMQOL-ULQDDVLXSA-N	246.394	4.512	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](O)c1ccccc1C(C)C	2079560174	BKUPRFVBRNDYQE-CPUCHLNUSA-N	246.394	4.670	0	10	BJAE	
CC(=C[C@H]1C[C@@H]1C1CCCCCC1)CNC(C)C	2079667442	XAHFQZPFBGPROI-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
N[C@@H]1CCC[C@H](C[C@@H]2C[C@@H]2C2CCCCCC2)C1	2079705938	KFOFAUYCGVWONI-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@@]1(N)CCCC2(CCC2)C1	2079883936	GLQPCJMWXDVFIH-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)CCC[C@@H]3CCCC[C@H]32)C1	2081133062	OCUVOCIMZMNHNA-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@H](C)NCC(C)(C)C(C)C	2081208205	BYTVXBJABUHIET-AWEZNQCLSA-N	247.426	4.582	0	10	BJAE	
CCC(C)(C)[C@](C)(N)c1cccc(C(C)(C)C)c1	2083540894	DPWVFSHEGDXSQH-QGZVFWFLSA-N	247.426	4.594	0	10	BJAE	
CC1(C)CCC([C@@H](N)CCCCC2CC2)CC1	2214566000	RNRFNPDMTHMHJS-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](O)CCCCC1CC1	2214580889	MMWNHTIQPNOZBG-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CC[C@H](N)C2CCCCC2)CCC1	2214780662	OUOFZKVFXVZPQJ-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1CC[C@@H]1C)NCCC	2214961606	RDEKSUSKRQVHTQ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H]1CC(=O)C1(C)CCC(C)(C)CC1	2215105925	QKXIFZUBHWEJPB-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)c2cc(C)sc2C)CC1	2215819495	WEAXFRPZOBGPPY-LSDHHAIUSA-N	249.423	4.501	0	10	BJAE	
CC[C@H](C)NC[C@H](CCCC(C)(C)C)C1CC1	2217155598	DGBDGPKTNVZGNR-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
COc1ccc(C[C@@H]2C=CCCC2)cc1C(C)C	2218083644	ISMJHEKQPOTHOW-CQSZACIVSA-N	244.378	4.717	0	10	BJAE	
CCC1CC(CC(=O)C2C[C@H]3CCC[C@H](C2)C3)C1	2218336346	BMRDKEBKRPPDMQ-GQKFXUNGSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CC1	2218337029	XYIFEGJXQSHCGD-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1C[C@H]1C1CCC1	2218722391	ADIUQASWDKTPSV-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H](CCCCC2CC2)c2ccccc2N1	2220047204	WITVPSIAIBHIKQ-HIFRSBDPSA-N	243.394	4.945	0	10	BJAE	
C[C@H]1C[C@@H](CCC2CC(F)C2)Nc2ccccc21	2220655169	YSLCEJUSHJBGMC-GFJIZPEISA-N	247.357	4.503	0	10	BJAE	
CC1(C(=O)CCC2CCCCC2)CC2(CCC2)C1	2221001107	GZAFZLPWTCKZQM-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC(C)C1CC(CC(=O)C2(C)CC3(CCC3)C2)C1	2221004258	VEQZDAIWZJPJCG-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@]1(C)CC=C(C)CC1	2221633212	UACUNSNYWYWXHM-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CCC2(CC2)NC1	2223131482	ZAGSZUIUJWBBAT-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
Oc1ccc(OCCCCCCCC2CC2)cc1	2223132042	FFLODSJVDSQCJB-UHFFFAOYSA-N	248.366	4.522	0	10	BJAE	
CCN[C@@H](c1ccc2occc2c1)C(C)(C)CC	2224131872	TYNWWYFIUCVXQK-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CCCCNc1cccc(C2CCCC2)c1	2245224797	JHSNBCUHWKRULY-UHFFFAOYSA-N	217.356	4.556	0	10	BJAE	
CCN[C@@H](CC(CC)CC)CC1(C)CC(C)C1	2246590921	NTDWFQIZDAMOSW-SIWZUTFBSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC[C@@H]1CCC[C@H](C)C1	2246690474	AXQJJKIHABHGDN-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)C[C@@H]1CCC1(C)C	2247372994	DMJFRAVOXJBJQD-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCC1(NCCCCC[C@@H]2C[C@@H]2C)CCCC1	2248854553	AOYPYSFXGOFFBA-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC[C@@H](C)CCCC(C)C)CNC	2250528270	MGWDAKMDZKSLAC-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@]12CCCC[C@@H]1CC2	2251129051	RDOXUELIJUSAJB-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]1NCC[C@H]1CCCCC12CC2	2253892795	YXZFCLXORKORKH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC([C@H](N)CC2CC3(CCCC3)C2)C1	2254115124	OGCSMDXXDWAPHQ-HWOWSKLDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CC12CCC(CC1)C2	2254586354	CPDZIXUYMGPXLW-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)[C@@H]1CCCC2(CC2)C1	2254599065	SZCYYRTXOJAUME-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)C[C@H]1CCC12CCC2	2254974605	ISXPACHBZLDGFD-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@]1(CC2=CCCCC2)CCC[C@@H]1C	2255143513	YPZBPFBFBCMMLQ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1c(F)cccc1CC	2256140210	SOJWNNBZIGUYKZ-ZFWWWQNUSA-N	249.373	4.769	0	10	BJAE	
CC1CC2(C1)CC(N)(CCCCC[C@@H]1C[C@H]1C)C2	2257318184	CBPXDORHTWGWPA-FVROTGDOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)c1cc(C)cc(C)c1	2259452748	IGCHYFIPZUDYQD-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@]12CCC[C@@H]1CC2	2260509303	USZKYEWQIXFRHU-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@]23CCCC[C@H]2CC3)C1	2260514675	BYIQSDUUZITTQI-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@]23CCCC[C@@H]2CC3)C1	2260518544	FPWZMERFQUXJPG-HNLJFRNMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1CC2	2260570479	PMVZTHXQHOQXSJ-AIANPOQGSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@]23CCC[C@@H]2CC3)c1	2260576371	YVXFFDOAXZDRNK-WBVHZDCISA-N	242.362	4.538	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@]23CCCC[C@H]2CC3)CC1	2260586196	GCVCIPZOGHQMTG-QBYUYEEZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@]12CCC[C@H]1CC2	2260675406	YBXXRHSAVVHUCG-XIRDDKMYSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CCC(C)(C)NC2)C1	2261301111	ISZSRDYAWDOXMT-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC[C@@H]1C[C@@H]1CC	2298128137	VJERAJMNVVLXQT-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC1=CC[C@H](CN[C@@H](C)CCCC(C)C)CC1	2298841768	LJFZJMSQYYYQOT-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@](C)(C(=O)CC1(C)CCCCC1)C(F)F	2299828930	NDDYCGWUHUHCEV-CQSZACIVSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1C[C@@H](C)C[C@H](C)C1	2300683928	OTYRLFJNKBQROF-HEHGZKQESA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)[C@@H]1CCC[C@H](C)C1	2300689546	ZEMMLCJNKUPPIH-NUEKZKHPSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@]1(CN)CCCCC12CC2	2300698680	AWJMKPJTHPUIPN-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
C[C@@H](C(=O)CC1CCCCCC1)C1CCCC1	2301144462	DRADITOPKQNTCA-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H]([C@@H](C)[C@H](C)C(C)C)C(C)(CC)CC	2301824610	FHACDGDVJYMNLI-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@@H](C)[C@@H](C)C(C)C	2301863882	IJVFLIBMWBISTJ-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)C[C@@H]1CCCC(C)(C)C1	2301922214	WUCOMWBHYGJQOM-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@H](C)[C@H](C)C(C)C	2301957987	GYKBGRIXADUFQO-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1c1nc(CCC2CC2)cs1	2302266638	DKHSFGQGTPDUNM-RISCZKNCSA-N	249.423	4.779	0	10	BJAE	
CCC1(C)CC(O)(CCCC2=CCCCC2)C1	2302330692	FBWKGLUQPSUABK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@H](CCC[C@H]1C[C@@H]1C)NCC	2302620379	POZXEXJNCOUEOH-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@H]2CCC(C)(C)C2)C1	2302721883	LUNJRSMPPPVEKN-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@H]1CC[C@@H]1C(C)(C)C	2303510348	HZXUVPIDWAPZFJ-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303513591	QQTGFPLVTHMTMQ-HEHGZKQESA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCC[C@@]2(C)O)C1	2304397188	SHLNKAJXQMBVTQ-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCC[C@H]1CCC(C)(C)C1	2304417399	CFWDFPYWKHTOIW-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)CC2CC2)c1F	2307561687	UPNMUBVDPCOHFL-NSHDSACASA-N	235.346	4.550	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)C1CCCCCC1	2307894901	SWULQAVHYMEJBC-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CC[C@H](NCC)C1CCCC1	2307900314	FPFFUWWVKHIBDO-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](C(C)C)CCC1=O	2307906287	DBHPRFKHHOQCHS-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)[C@@H]1CCCC2(CC2)C1	2307927269	XSIMEHCRUYMOJC-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC1(N)C[C@H]2CCCCC[C@@H]2C1	2308364192	PRJXNTCBXRJWBH-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(CC(=O)C[C@@]23CCC[C@@H]2C3)C[C@@H](C)C1	2310377765	MXDIBSXNAJBQIT-LBEHMCEESA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@H]1CC)C1=CCC(C)(C)CC1	2310969749	UQFWOXBWXSJUOR-KBMXLJTQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)[C@@H]1C[C@H]1CCC	2311517038	GPBSGKNZLZCMPI-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2312440498	OYVUZZQCFAJRNB-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NC[C@@]12CCCC[C@@H]1CC2	2313315714	NZDCOPVPLZWEFH-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@@]12CCCC[C@@H]1CC2	2313318023	PYRJJPPCHWXHGL-KEYYUXOJSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)[C@H](C)CC1CC1	2313657599	AXPKWHSUMXSVEE-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)[C@@H]1CC1(C)C	2315887505	NELBLEZDABAICM-HIFRSBDPSA-N	245.410	4.965	0	10	BJAE	
COc1ccc2c(ccn2[C@H](C)[C@@H](C)C(C)C)c1	2317827907	OLUISGBVQFELGU-QWHCGFSZSA-N	245.366	4.503	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](CCC1=CCCCC1)NC	2317979351	JHUWQGACEVUCRQ-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc2ncoc2c1	2318044481	UXUBVLYMSGESEU-LBPRGKRZSA-N	246.354	4.599	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)[C@@H]1CCC2(CC2)C1	2318550413	GRQBEVDQTTYIGH-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)CCCC1=CCCCC1	2318942797	AGOICDBCVAQZNZ-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
N[C@@H]1CCCC[C@H]1CCC[C@H]1CCCCC12CC2	2319000865	OXJBRGNEOWPWOX-ARFHVFGLSA-N	249.442	4.645	0	10	BJAE	
CC(C)NCC1(C[C@H]2CCC(C)(C)C2)CC=CC1	2319288160	FKCINVJPAJQVGB-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1CCCC[C@@H]2C[C@@H]21	2319322878	IOJQJRKLPLQTBV-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@@H]1CC[C@H]1C1CC1	2319579462	UMUFPVABJAWLIM-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](COc2ccc(C)c(C)c2)CC1	2320348691	SPWJOMDPTQCSFC-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1C	2320393836	JVSHGAKTBKSHFX-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@]1(C)C[C@@H]1C	2320402361	RGYVCAARTMEPIZ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](NC[C@@H]2CCC(C)=C(C)C2)CC1	2320410528	FMZNAHILFATOAY-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@H]2CC(C)(C)[C@@H]2C)c1	2320522135	XHIPBYNPHPCFLI-WQVCFCJDSA-N	246.394	4.526	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)Cc1cccc(C(C)C)c1	2320662755	HAXSCMIHEXRMIA-WBVHZDCISA-N	247.426	4.506	0	10	BJAE	
CCc1cc(F)cc(NCC2(C(C)C)CCC2)c1	2321072742	UKHYLAMFYCWNKC-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)[C@]2(C)CC=CCC2)C1	2321612277	ZLXZOLSXWKYSRF-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CCCNC[C@]1([C@H]2CCC[C@@H](C)C2)C=CCCC1	2326699157	KLTNUIJTZJRJEO-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@]3(C)C[C@@H]23)c1F	2327804599	RZGGHRBUCRWAOV-WOSRLPQWSA-N	247.357	4.550	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@@H]1CCCC[C@H]1C	19981900	CPMITLLIVYAICZ-GDBMZVCRSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C)C2)c(Cl)c1	20471325	YLIODZVUFAXYBL-PWSUYJOCSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1c(C)cc(C)cc1C	20482426	JALDHPAXDSIYRO-WBVHZDCISA-N	247.426	4.828	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1csc2ccccc12	35499579	VXRZDPFHJMNWNU-XHDPSFHLSA-N	247.407	4.598	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)c1c(C)cc(C)cc1C	35547765	GEHLPDQBYIHCGF-DYVFJYSZSA-N	247.426	4.699	0	10	BJAE	
CCCN[C@H](CC)c1ccc([C@@H](C)CC)cc1	35580573	ZQCBKIQSPJNNQC-XJKSGUPXSA-N	233.399	4.651	0	10	BJAE	
CCCC[C@H](N[C@H](C)CC(C)C)c1ccccc1	37255679	AXYZLYXZPLZYOM-WBVHZDCISA-N	247.426	4.942	0	10	BJAE	
CCC[C@H](NC1CCCCC1)c1cccs1	49541235	YZVULQGGNKEGLK-ZDUSSCGKSA-N	237.412	4.512	0	10	BJAE	
CCCC[C@@H](C)N[C@H](CCC)c1cccs1	49541652	SUPPKRYNSFYABP-CHWSQXEVSA-N	239.428	4.758	0	10	BJAE	
CC1(Nc2ccc3ccccc3c2)CCCC1	50101766	ALKNYDUOVDQPBP-UHFFFAOYSA-N	225.335	4.584	0	10	BJAE	
CCCc1ccc(-c2ccccc2C(C)=O)s1	59242718	DCPGVEYZMOTYMS-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](CC)c1cccs1	68987164	HXCQOCWFQMQING-STQMWFEESA-N	239.428	4.758	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCC[C@H](C2CC2)C1	81624224	UWBBHTGFTYYDOH-JKSUJKDBSA-N	243.394	4.630	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@@H](C3CC3)C2)c1C	81624378	KDKSDDDNOCCKSB-CVEARBPZSA-N	243.394	4.684	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(c2ccccc2C)CC1	86950978	STSLGOHIDNYCMH-DOTOQJQBSA-N	246.394	4.563	0	10	BJAE	
CCCC[C@H](NCCC)c1cccc(C)c1C	93074032	RFKNOAWTSHUKCC-INIZCTEOSA-N	233.399	4.534	0	10	BJAE	
CC(C)CC1(CN[C@@H](C)c2ccco2)CCCC1	94874535	GZWRRNOENKMITL-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CCC(C)(C)[C@H]1CC=C(N2CCCCC2)CC1	103540465	PDXJJNODMSLWAT-AWEZNQCLSA-N	235.415	4.593	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC[C@@H]1C)C1CCCCC1	103990845	AXQSWKSZUNIBQV-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](N[C@@H](CC)C(C)C)c1ccccc1	109929022	QMHGKYPHHMHWIA-DLBZAZTESA-N	247.426	4.942	0	10	BJAE	
CCCCCC[C@H]1C[C@H](CCC)CC[C@@H]1NC	111235564	JBJZJIAAFCNMLL-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H]([C@H]1CCCC[C@@H]1CC)C(C)(C)C	111746914	GREAVMQNTFIBJA-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CNC/C(=C/C1CCC(C)CC1)C1CCCCC1	125518972	MNVNVCYIGFVZPS-ATVHPVEESA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(CCCC2CCCC2)c(C)c1	144219559	URGRLTXFYHIKLH-UHFFFAOYSA-N	216.368	4.816	0	10	BJAE	
Cc1ccc(COc2ccc(C)cc2Cl)cc1	199763339	PKQYCAQOKVTUPJ-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CC2CCCCC2)C1	203541575	BMHNXRPULPSERP-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@@H](CC)c1nc2c([nH]1)C[C@@H](CC)CC2	216978811	OTUCRJHCKNXCNI-QWHCGFSZSA-N	248.414	4.608	0	10	BJAE	
CCCCC[C@H](C[C@H](CC)CCCC)NC	228741450	LYERKLFTKATEBG-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@H](CC)c1ccccc1	253051139	UYRPQYQIISRJOR-USXIJHARSA-N	247.426	4.595	0	10	BJAE	
CCc1nc(-c2ccc([C@H](C)CC)cc2)cs1	259298345	OIAVJLOIUBPVCM-LLVKDONJSA-N	245.391	4.886	0	10	BJAE	
CC1(C)CCCC[C@@H]1c1c[nH]c2ccccc12	300258362	HWPJIJCJZCRVDG-CQSZACIVSA-N	227.351	4.852	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@H](C)CC(C)C	300901591	KYLSUEJVRGUZAR-LLVKDONJSA-N	239.790	4.743	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CCCC(C)(C)C)C1	302256367	DCDOHJGOIMLAQI-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@@H](C)CC(C)C	305975280	QNSAALXSIZVENG-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CSc1cc(C)cc2scc(Cl)c12	307024286	YOCOWGFLKHWSQF-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@H](CNc1ccccc1)CC(C)C	308047278	CFDCXAATZWZVJY-AWEZNQCLSA-N	219.372	4.561	0	10	BJAE	
CCc1ccc2nc([C@H](CC)CC(C)C)[nH]c2c1	308091157	RDJBDZDTPMHODZ-CYBMUJFWSA-N	244.382	4.665	0	10	BJAE	
CCNC/C(=C/C1CCCCCCC1)C(C)C	309996079	YHLXYECQDWUQJS-VBKFSLOCSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H]1CCCC[C@H](CCC2CCCCC2)C1	310060103	CKOMYFHGAVXALA-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C(C(C)C)C(C)C	310171829	PJZNZDOLJGFBBY-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CCCCCC[C@H](CC1(CC)CCC1)NCC	310171882	UEJJMVGGBFLUGL-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](O)CCC2CCCC2)C1	310449482	VGLHTKIIJKCKOW-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1ccc(C2CCC2)cc1	310614556	FIJIDDFRJUEHGS-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
Cc1ccc(F)cc1NC[C@@H](C)C1CCCCC1	311205245	IZZXICZFHMZQST-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
CCC[C@H](Nc1ccc(F)c(C)c1)C1CCCC1	313412661	QCPYCRCEIPRROY-INIZCTEOSA-N	249.373	4.905	0	10	BJAE	
CCNC[C@]1(CCCC(C)C)CCC[C@H](C)C1	317269400	NJYYFZBBHOQFNR-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC[C@@](O)(C[C@H](C)C1CCCCC1)C1CCC1	322293352	RQDFZEAZFTXRON-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
N[C@H](CC1CCCCC1)C(C1CCC1)C1CCC1	380675077	NNJNRGYETZLUJR-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CCCC1(C)C	381342136	KUMFPNIAKVYXPT-OAHLLOKOSA-N	244.378	4.819	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCCC[C@H]1C	383188748	OKOWSDKANPFEDJ-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)c1ccoc1	383282640	PJFIRNGDJBHLOH-OAHLLOKOSA-N	237.387	4.537	0	10	BJAE	
C[C@H](C[C@]1(O)CCCC[C@H]1C)C1CCCCC1	383846267	LCWARHOFXREHME-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@H]1CCCC[C@H](O)C1)C1CCCCC1	384010332	OGYICNKFTPQHAY-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC/C=C/CN[C@@H]1CCC[C@H](C(C)(C)C)CC1	384777274	SVFJBGHRLQEEJV-MFHOCJEASA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@@H]1CCC12CCCCC2	385117670	JTTNCOZLYRTSOZ-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC1[C@H](C)CCC[C@H]1C	386298276	VBJOOVJAJHDFFI-MGPQQGTHSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](N[C@@H](C)CCC(C)(C)C)c1ccco1	386322714	YOLZCEGOZMZRAK-QWHCGFSZSA-N	237.387	4.535	0	10	BJAE	
CCOc1cc(C(F)F)cc2sc(C)cc12	396237386	IISYPQXGQIPGTB-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
COc1cc(C(F)F)c2cc(Cl)sc2c1	396285216	DRGVLDODOOKPLM-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC(C)(CC[C@H](N)C1(C)CCCCC1)C1CC1	405785864	DJHLFJPYCWGCSP-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCCCCC(=O)CC(C)(C)c1ccccc1	686738700	ORPTZCMGDIYMLU-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CCC1(C(=O)c2cccc(SC)c2)CCCC1	687007158	UDEOZMPDDVSSTG-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCSc1cccc(N[C@@H]2CCCC2(C)C)c1	689703727	ZFHPNXJZHOZWMJ-CQSZACIVSA-N	249.423	4.789	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H](C)c1ccccc1	689870428	RICGYJNNRWSQSU-LSDHHAIUSA-N	245.410	4.696	0	10	BJAE	
CC(C)C1CC(Nc2cccc(C3CCC3)c2)C1	690121698	NNLWYVMQJJJUQK-UHFFFAOYSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2cccc(C3CC3)c2)C1	690161716	YUMROSDRIZEPJY-IUODEOHRSA-N	229.367	4.555	0	10	BJAE	
CC(C)(CC(=O)C[C@@H]1CC2CCC1CC2)C1CC1	691700821	OYVAIPCINIQLGE-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](NC[C@]12CCCC[C@H]1C2)C1CCCC1	693559946	VJMJOIYYUHRLEF-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCCC3(CC3)C2)CC1	695718325	UQXDMCAZNUSNSL-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCCc1ccccc1C(=O)CC(C)(C)CC	697207517	ANZIPEGKEPEJSQ-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1cc(C)cc(F)c1	697771612	MPHCRFZYUMLTKF-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCN[C@H]([C@H]1CC[C@@H](CC)C1)C(C)(CC)CC	701133829	QVIOBBXLGMFPQL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NCC)C(C)(C)CC	701158828	YGDSMLULDJXKFL-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(C(F)F)cc1	701286098	ZCDQUBNFBGCBRK-JTQLQIEISA-N	240.293	4.633	0	10	BJAE	
CCC(C)(C)C(=O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2	701328630	BHFWKKUCIVCPAI-SCQRFTTHSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCC[C@@H]1n1ccc2c(F)cccc21	704959395	NMTICWDRGJKEOO-FZMZJTMJSA-N	231.314	4.532	0	10	BJAE	
Cc1ccc(F)c(NCCCCC(C)C)c1F	707391428	WUARXUNMNLHKMU-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
C[C@H](CC(=O)[C@@]12CCCC[C@H]1C2)CC(C)(C)C	709210357	HPXZYFBNNPOTDL-DVOMOZLQSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@@H](N)CCCC(C)(C)C)C(C)(C)C	711111695	KBKJQNOGSSQPSD-KGLIPLIRSA-N	241.463	4.993	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)c1ccc(C2CC2)s1	716615866	DVRPRPCAEXEDNM-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]1CC	718647113	RLYYVQCGXBFNAO-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC1(CN[C@@H]2CCCCCC2(C)C)CCCC1	719282642	AAHNGDBWXBKSDX-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C1(C)CCC1	720772442	UPBSIUOUFOAZNY-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CCCC2(CC2)C1	723600910	AEIPHIXNZKPTNB-LBPRGKRZSA-N	249.785	4.783	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@H](C1CCCCC1)C1CC1	723949639	SYGPLGQGLGIPGW-SUMWQHHRSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)N(C)Cc1ccc(C2CCC2)cc1	1205632467	FVNMGOOIEWDOIC-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CCCC[C@H](NC[C@H](C)CC(C)C)C1CCC1	1307666081	ALTBDWKPHJPFFE-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(-c2cccc(C)c2Cl)cs1	1889509780	MBZKULBVRASHTK-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
Cc1sccc1-c1ccc(F)cc1Cl	1889534584	BHGDZKHIQXHELS-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
CCCc1ccc([C@H](N)CCCC(C)C)s1	1900669335	TWDLWTWLPKFCHV-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
CCC(C)=CCCc1cc(Cl)ccc1OC	1900831962	INEWLUWQLQMZCS-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
CC(C)CCCCc1nc2ccccc2s1	1901884520	JMZMTFJQWMZFLT-UHFFFAOYSA-N	233.380	4.665	0	10	BJAE	
CC(=O)CC(C)(C)CC[C@H]1CCC(C)(C)C1	1903416609	ARXJTCPITZKPEQ-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cc(C)sc1C	1905380870	GMAATYVUYIJRDR-GFCCVEGCSA-N	238.396	4.764	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H](CCC)C(C)C	1905453104	HBVZXFKLZOHALK-RRFJBIMHSA-N	227.436	4.602	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](CC(CC)CC)NCC	1910781591	OFLYQBAHKXRUCS-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
OC1(c2ccc[nH]2)CCCCCCCCCCC1	1919621657	WKSNMNVJLGITTO-UHFFFAOYSA-N	249.398	4.507	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1CCCC[C@H]1C	1920188026	SJQSEOTZCLJPJF-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC[C@](N)(CC)c1ccc(C)cc1	1920448224	IJDMZXKWZNZNFP-QGZVFWFLSA-N	247.426	4.775	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2C[C@H]3CCC[C@H](C2)C3)CC1	1923480076	JXTREHRHUZZQEB-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC[C@@H]1C=CCCCC1)CC(F)F	1925857370	OZVKFVGJQNTGGO-VXGBXAGGSA-N	216.315	4.804	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H](CC)C(C)C	1936208631	JCDSEMIUAIFLDE-KGLIPLIRSA-N	226.404	4.844	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCC(C)(C)C)CC1	1939904504	XOFZKRPPWGITBX-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1C[C@@](O)(CC2(C)CCCCC2)CC[C@H]1C	1940406749	GWMOMQFRFCXGIH-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@H](O)C2CCCCCC2)CCCCC1	1940407878	JXOCIZQREKEVOY-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](CC(=O)c1ccc2sccc2c1)C1CC1	1940724042	YYQVCXGMUKMDFY-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
CC1(CCC[C@@H](N)CCC2CCCCC2)CC1	1940873872	CSAWPGVFEMCALN-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CN[C@@H]([C@@H](C)CCC(C)C)C(C)(C)C(C)(C)C	1942652117	DOUDWYDSOFXZTP-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)C[C@@H](C)CC(C)(C)C	1942653783	ULMNBNOPWZXCRJ-QLFBSQMISA-N	242.447	4.882	0	10	BJAE	
CC(C)CCC[C@@H](O)c1cccc2sccc12	1945970789	SJAJDMVBKRNFDQ-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CCC(C)(C)CC)C1	1949016137	FLQSEZCQYHQIGE-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@H](N)CCCCCC2CC2)C1	1949077091	WSLLCVACLTWQHY-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCCC(=O)CC1CCCC1	1949857389	MENVXMIHPLTRHQ-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)C(C)(C)CC[C@H](O)CC1CCCCC1	1949923458	QSYNLDXIPGXTNJ-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CCCNCc1ccc(C2=CCCCCC2)s1	1950821539	AOEBXACKTJLAPW-UHFFFAOYSA-N	249.423	4.595	0	10	BJAE	
CCC/C=C/CNC[C@H]1CCCC(C)(C)CC1	1950917619	GRGADAWBIHFAFE-LFAOLKIESA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)CN(Cc1ccccc1)[C@@H](C)C(C)C	1953230260	AQARFXCRXUWCKZ-HOTGVXAUSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@@H]1CCCCC12CCC2	1965980892	UWLPPHGGZNQWBB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(CNCC2CCCCCCC2)C=CCCC1	1966038705	WZDYDUGISSNMNB-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	1968229156	CSOYGJGXZFYKBY-FOLVSLTJSA-N	245.410	4.788	0	10	BJAE	
CCc1ccc(OCC[C@@H]2CCC[C@@H](C)C2)cc1	1968345832	FWFZURPDKKLGLG-ZBFHGGJFSA-N	246.394	4.844	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCCC2(CCC2)C1	1968359738	GHYRFEIXEJUJBK-OAHLLOKOSA-N	243.394	4.774	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCCC2(CCC2)C1	1968362253	ZBTBAFVVNIXADQ-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
c1sc(C2CCCCC2)nc1C1CCCC1	1968708333	WWUMEXZUMWIPHR-UHFFFAOYSA-N	235.396	4.848	0	10	BJAE	
c1cc(NC2CC(C3CCC3)C2)cc(C2CC2)c1	1972458448	BMPFHXBTLBUAOB-UHFFFAOYSA-N	241.378	4.555	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)C1(C)CCC1	1981354402	RFKRBTWPZWTCEL-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC=CCCCC1(O)CCCCCCCC1	1984606309	GYGPWBKFTNLCFE-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC=CCCCC(CC)(CC)CNCCC	1984632092	JBNFTCLGLRELQJ-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CCCC[C@H](CCC1(CC)CCC1)NCC	1988432519	GODKCLQCGVBJMG-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC(C)(C)C(=O)C[C@H]1CC[C@H](CC)CC1	1989837242	QIEMQVNIWCLOSQ-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CCC[C@](N)(CC)C[C@@H]1CCCC(C)(C)C1	1994031023	QNRXVNFOHMRLKE-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](CC(=O)CC[C@@H](C)C(F)F)C(C)(C)C	1996093316	DHXUJQOGAHOANA-MNOVXSKESA-N	248.357	4.699	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C2(C)CCCCC2)C1	2000039269	VNCFTZXKDUCPIW-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000103706	AENVXIPZWGDPII-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C2CCCCCC2)C1	2002997426	CNAKESSDODUCTL-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CC1CCC2(CC1)CC2	2003191092	NGDNYHIJEIBRIG-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H]1NC1CCC(C)(CC)CC1	2004340782	DIGPVGRGPRDHHO-JWMHWRSXSA-N	237.431	4.514	0	10	BJAE	
C[C@H](NCCC1(C)CCCCC1)C1(C)CCC1	2004839360	HMVFJKRWUVVDHC-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H]([C@@H](C)CC)C1(C)CCCCCCC1	2004924019	XDJRRPNDVMHMON-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@@H](CCCC(C)C)C1	2006628723	COONRMGHEZAFRK-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@H]1CCCCC1(C)C	2007853422	LDYVQOJELDZYFD-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC=C(C)[C@@H](NCC)C1(C)CCCCCCC1	2007853647	MHUGJOPCMXAISO-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCC2(CCC2)NC1	2008286074	HRVLWVSPQBUCPC-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@]2(CCN[C@@H]2CCC)CC1	2009061189	YSNCFHJCIXXCQP-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCC(C)(C)CC[C@H]1NC	2009407013	KHFFDCCSQNTLAS-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@]1(O)CCC[C@H](C(C)C)CC1	2009588691	ANUWXEQVIFHGBM-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@@]1(CO)CCCC(C)(C)CC1	2009595163	VTGCZZNSPVJNLE-DWTRPJMMSA-N	238.415	4.702	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C1(C(C)C)CC1	2009628281	NJCHCZZKJSVYEW-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N)([C@H]2CCC[C@H](C)C2)C1	2009792185	VQSPXRFFWPNTNY-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CCCc1ccc(CC2CC(=C3CC3)C2)cc1	2011089169	JKZIKMSCQGOZGD-UHFFFAOYSA-N	226.363	4.682	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011973657	ONDMORQMVMFJCY-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@H]1C[C@@H](N)CC(C)(C)C1)CC(C)(C)C	2012041224	IYKKRMQVCUVMSE-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](CCCC(C)C)(CNC1CC1)C(C)C	2012410602	ILRQBVDPRHKICQ-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(F)F)C[C@](N)(CC)CCC(C)C	2013296558	LWOWSZXHQMHOIX-JSGCOSHPSA-N	249.389	4.602	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1C[C@H](C(C)(C)C)C1	2013707292	LKRZYVQSBJTWBD-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
CC1([C@@](C)(O)CCCCCC2CC2)CCCC1	2014327586	ZMUALDRMNBIONH-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CCC)C1CC(CC(C)(C)C)C1	2014654711	GDKCPGAIPXANNM-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC[C@@]1(O)CCCC1(C)C)C(C)C	2015333714	CWRSIYHWDZMITL-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CCc1ccc(N[C@@H](C)CCC=C(C)C)cc1	2016145041	MVSOKNCVLVGHLA-AWEZNQCLSA-N	231.383	4.796	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(=O)c1ccc2sccc2c1	2016409931	GLZMWQSLMDZSGO-BONVTDFDSA-N	244.359	4.520	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CC1(C(C)C)CCC1	2017111598	CSOCZOLFRNBWTE-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1CC[C@H](CCC)CC1	2017662953	MNIXNFBXZUHCFZ-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](O)CCC2CCCC2)CC1	2017714024	BXWLEGQUYDUFEH-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCNCC(CC)(CC)C[C@H]1CC[C@H](C)CC1	2017723423	JRMACUPBZRCWKO-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)[C@@H]1CCCC(C)(C)C1	2017787309	HJJQWWUPKQBFMZ-ZIAGYGMSSA-N	239.447	4.712	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1C[C@H]2CC[C@H]1C2	2018132452	TWUFPZNHIQVVCG-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCC[C@@H](C)CC2)CC1	2018925620	UZKZXPFVDSHNSF-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@@H](C)C1CCCC1	2019193048	VJORAEQGQOYLLA-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H](C)[C@H](C)N(C)C[C@H]1CC[C@H](CC)CC1	2019387588	WDQVKNDZFMEHPK-QKPAOTATSA-N	239.447	4.569	0	10	BJAE	
CCC[C@](C)(N)C[C@@H]1C[C@@H]1C1CCCCCC1	2022495512	JPILGRPXQXKYQD-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)CCCCC(C)(F)F	2023438930	URANXCYPEOELBG-LBPRGKRZSA-N	249.389	4.568	0	10	BJAE	
Cc1cccc([C@@H](N)CC2=CCCCC2)c1Cl	2024404502	FCZPMPIDGVAHIH-AWEZNQCLSA-N	249.785	4.539	0	10	BJAE	
CSc1ccc(N[C@@H]2CC[C@@H](C(C)C)C2)cc1	2025574091	DJSBTOKZMSSBFP-TZMCWYRMSA-N	249.423	4.645	0	10	BJAE	
Cc1cc2ccccc2n1CC1(C)CCCCC1	2027276285	QDJNCJHIRVQVKX-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CC1(C[C@](C)(N)[C@H]2C[C@H]3CC[C@H]2C3)CCCCC1	2027309844	UVLONKJHNCBWSG-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CC(C)(CN[C@@H]1C=CCCCCC1)C1CCCC1	2027708174	HXOOEBQMAXUGHU-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCCc1ccc([C@@H](O)[C@H](CC)C(C)C)cc1	2028231685	HJVNFHCDUTWOHX-IAGOWNOFSA-N	248.410	4.745	0	10	BJAE	
CC1(C)C[C@H](NCCCCC2CC2)CC2(CC2)C1	2030288313	MPVJEEFPXYIIJA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H](N[C@@H]2CCCC2(C)C)CC2(CC2)C1	2030289375	YBWJSIPKJKGGFY-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@@]2(CNC3CC3)CCCC2(C)C)CCC1	2032109398	OTRLPQMYVUBVRE-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C1C(C)(C)C1(C)C	2034029241	AONDCTJPQDMFEL-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)CNCC1(C[C@H]2C=CCCC2)CCCC1	2035593185	PLVLGJFKSQDRSM-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CC[C@H]1C=CCCC1)C1CCCC1	2035594342	VGKGCHUQLCOZSI-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@H]1C[C@H]1C=CCCC1	2035602988	XTWOHNCFIAFCPX-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC1(CN2CCC[C@@]3(C)CCC[C@H]23)CCCCC1	2036774631	WOVWDUPQFOPYSJ-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
N[C@]1(CC2CCC=CCC2)CCC12CCCCC2	2037209471	AFTKGGVNQTXAQP-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC(=C1CCC2(CCCC2)C1)c1ccc(N)cc1	2037699369	RFMXQZOXGJZBPU-UHFFFAOYSA-N	241.378	4.787	0	10	BJAE	
CC1(C)CC(CCN[C@H]2CCCC23CCCC3)C1	2038090763	VICHWKLYRPZTCN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C=CCC1)CC1CCCC1	2038103220	LUGPQPGQHIBOOU-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)[C@@H]2CCC3(CC3)C2)CC1	2038572588	QYUOAKJSLPSSAD-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCCN[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2038615233	RXIOQKKCRKUUSX-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(=C[C@H]1CC12CCCC2)CNC(C)(C)C	2039081115	GZWUQLWRAMRYMX-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
c1cc(NC[C@@H]2CC23CCCC3)cc(C2CC2)c1	2039089847	XFSBCWSVOFHECX-HNNXBMFYSA-N	241.378	4.556	0	10	BJAE	
C[C@@H](NC1C[C@H]2CC[C@H](C1)C2)C1(C)CCCCC1	2039867320	GYSWXFNVKNUBOY-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CN(CCC1CCCC1)[C@H]1CCCC2(CCC2)C1	2041294247	VIYZSNGEVBATIQ-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H](CC1CCC(C)CC1)[C@@H]1CC=CCC1	2042024290	KHXDCVWULXSXNW-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CCC(C)(C)CC1)[C@@H]1CC=CCC1	2042030749	OQBXDMOBOQMFJX-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(CNC(C)C)CC=CC2)C1	2042091884	PQUKQGOOYHCBNC-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](C)(CC=Cc1ccccc1)CNCC	2045998221	QXDYXSUZRSERMB-QGZVFWFLSA-N	245.410	4.506	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@H]3CCCCCC[C@H]32)CCC1	2047425519	VYNUHRAJOIZHNM-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC1(CCNC[C@@]2(C)CC=CCC2)CCCCC1	2047719314	XHFSLMCSDYRZKI-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@@H]2CCC23CCC3)C1	2047936419	PVIDEXROZBVCJZ-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(NC[C@@H]2[C@H]3CCCC[C@H]32)CCC1	2049677372	BQEKTOFSCSCDKR-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(NC[C@@H]2CC[C@H]3C[C@H]3C2)CCC1	2049681753	PIAMJENSBARPSH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(CC2CCC3(CC2)CC3)C1	2049852680	HRWLGJBUNOPXEL-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)C[C@@H]1CCC2(CC2)C1	2049856436	LILHPFBMBNSGSI-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CCC2(CC2)C1	2049951005	LIJVMXMOFVQBPX-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C=CCCC1	2049999154	AZMQGERQBIPSAU-HWMZRRJGSA-N	246.394	4.518	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@@]1(C)C=CCCC1	2050006019	KDWIBLQOMHRRLL-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@@]1(C)C=CCC1	2050007187	CYYQBBWLPLMIQF-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1CCC2(CC1)CC2	2051407284	ICMRBFWUJQLYAS-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)CCC(NC[C@H]2C=CCCC2)CC1	2051593357	FHBBAUAQPYVGFN-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CCC(N[C@H]2[C@H]3CCCCC[C@H]32)CC1	2051595684	YBXOWZTWROKZDD-JSGMBBGDSA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1)C1(C)CCC1	2052345918	SQVRJBUMWBGTMY-LJIGWXMPSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC2CC2)CCCCC12CC2	2053356971	LKJIZOLCMYOHNP-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(C2CC=CC2)CCCC(C)(C)C1	2053692171	RTTXWBWAIBGUAC-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCC(C)=C2C)CC1	2055552898	UEUWAZMYHSSGHA-IKGGRYGDSA-N	249.442	4.824	0	10	BJAE	
CCN[C@@H]1C[C@H](C[C@H]2C=CCCCC2)CC[C@H]1C	2055605563	YDXZBBNMOUYARJ-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CC2CCC=CCC2)[C@H]1C	2055617042	VTIKWWJFVTYDOJ-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC(C)NCC1(CC2CCC2)CCC2(CC2)CC1	2056556578	JMWVAFVECVELIA-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)c1ccccc1C	2056873680	PPQYZNGEFNBLMW-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2[C@H]3CCCCC[C@H]32)CC1	2059004067	UDITVXFEUSOEEN-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@](N)(CC)c1ccc(CC)cc1	2059203538	LIPXOBCDSYTATE-BBOMDTFKSA-N	245.410	4.559	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCCC2(CCCCC2)C1	2059205516	BQSSSNDJOADTAD-RCAFFNEUSA-N	249.442	4.955	0	10	BJAE	
C[C@H](C1CCC1)[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2061098241	ICNALICDDSJEOO-UHOFOFEASA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@@H]1CCCCCCCC[C@H]1NCC	2061560206	DCDPZXQBSZKFFJ-IAGOWNOFSA-N	249.442	4.836	0	10	BJAE	
CCN[C@H](CCCC1CC1)CC[C@@]12CCC[C@@H]1C2	2061610650	BFUUQNPTNOLCLY-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
NCC1(CC2C[C@@H]3CCC[C@H]3C2)CCCCCC1	2063495189	AIGXMLYBZNELIC-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](Nc1ccc(C)c(C)c1)c1occc1C	2063671619	MCPNWGOCZVNBHK-OAHLLOKOSA-N	243.350	4.768	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC1CC2(C1)CC21CCC1	2064111590	RLTFRJIRPABDKT-TUBUQKNSSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(C(=O)CC23CCC(CC2)CC3)CC1	2065279248	HSYUEELKKLRCNZ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H](NC(C1CCCC1)C1CCCC1)C1(C)CC1	2065935495	GVPSYBQBRUAILD-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2069343133	WLIWKBSEUHPCSG-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](NC)c2ccc(C)cc2)CCC1	2069345796	YPVVXTUMEJWGBT-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@@H](CC1(C(C)C)CCC1)c1ccco1	2071950923	RLAVPSCEUZVJAD-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CC(C)C1(C[C@](C)(N)[C@]23CCCC[C@H]2C3)CCC1	2071951608	ZKFFCDCILVLHEP-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CCC1CC2(C1)CC21CC1)NCC	2072232749	UWDKNJDAUANLHI-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C=C(C)C2CCC(N)CC2)CC1	2072819786	FIWDUVBRHDREPL-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@@]2(C)CC=CCC2)CC1	2072821201	KRLZQBXSSQFUHZ-BACDZXNISA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@@](N)(CC)c1ccc(C2CC2)cc1	2073341933	UEAWMVJSSVXTPR-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
CCCCC[C@@](N)(CC)c1coc2ccccc12	2073346652	NYXIOEPYPQBLGV-INIZCTEOSA-N	245.366	4.577	0	10	BJAE	
CCCCC[C@H](CC)NCC1CC(=C2CCC2)C1	2073349634	DWZJNWMIOHQTRG-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC1CCC(CN(C)[C@H]2C=CCCCC2)CC1	2075410987	ZMRMESKIVAVYJG-JCYILVPMSA-N	249.442	4.633	0	10	BJAE	
CC=C(CC)C[C@@H](NCCC)c1cccc(F)c1	2077195904	QCWYIKHVFUURFT-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccccc2C2CC2)CC1	2077262346	RQJSYTBTWTUDGJ-ZFWWWQNUSA-N	243.394	4.945	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CCC3(CC3)C2)c1	2078339267	VRXGGBSSUOJTNT-OAHLLOKOSA-N	243.394	4.556	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](NCC)C1=CCCCCCC1	2079442247	ZAUQBCFVNKCGPD-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@H]1C[C@@H]1C1CCCCC1	2079493269	WMMKUHWLVXENIH-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC[C@@H](NCC)c1ccccc1	2079662332	UUNKCZISFDTCFS-BRWVUGGUSA-N	245.410	4.554	0	10	BJAE	
CC1(CC[C@@H](N)[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079795377	WGEGQOAYSCRELU-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC1(N)CCC(C2CCC2)CC1	2079870993	PUVSQETZSCRGCS-GMRIPVOYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1C[C@@H]1C[C@@H]1C1CCCCC1	2083799115	IZLYNSYZXZXLJA-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2CCCNC23CCCCC3)C1	2083815507	GLYOFUZTUFPDDN-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)c(F)c(CC2CC(=C3CCC3)C2)c1	2083942251	LWOPHBYOCNGZKJ-UHFFFAOYSA-N	248.316	4.706	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@H]2CCC=CCCC2)C1	2084999556	XMVQFHQOXYMGKR-ODZFXCKXSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@H](N(C)[C@@H]2CCC3(CCCC3)C2)C1	2085279126	FMGYSBDJMCYQPZ-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CCC1(CC)CCC(NCC[C@H]2CC23CC3)CC1	2086412048	MXQPHODZZAZMPK-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C=C=CCCc1cc(Cl)cc(Cl)c1Cl	2209711487	YQWGWJYYJNRAKY-UHFFFAOYSA-N	247.552	4.921	0	10	BJAE	
CC(C)=C(F)CN(C)CCCCCCC1CC1	2213532636	TUMWWIXINCYXJJ-UHFFFAOYSA-N	241.394	4.542	0	10	BJAE	
Cc1ccc(NCc2scc(C)c2C)c(C)c1	2213637555	QMZHJDPBRLXGIR-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CCCCC2CC2)C1	2214569190	LVAOVPWDURWIRA-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(O)CCCCC1CC1	2214582928	POYOLMSGSOCZMK-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@](O)(CC)C1CCCCC1	2215236915	MJOFEDXLHGSPRD-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC1(C)CC(C)(C)C1)C(C)(C)CC	2215400513	GZFUCZBKHKKPRZ-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC(=O)[C@@]2(C)CC=C(C)CC2)CCC1	2215823597	KQZLBZKUVCIBNL-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
CCN[C@H](CC)CCCCCCCCC1CC1	2216877910	RIBZHWWCAFURRP-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H](C)NC[C@H](CC1CCCC1)C(C)(C)C	2217125088	MMMLTPADMRUKDV-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H](C)CC)CC=C(C)CC1	2217126814	CBDIBKJXRRREPP-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218347712	BLTUEOUHQBNCPP-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@](CCCCC2CC2)(CNC2CC2)C1	2220044641	JLVDIWYGDKNJRC-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H]1C(=O)C[C@H]1C[C@@H]1C1CCCCCC1	2220539107	ITAIVQUNVRTZCN-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](NC[C@H]1CC=C(C)CC1)C1CCCC1	2221663193	JXJRBEXMRFOYGU-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C1CCC(CCC2(CNC3CCC3)CCC2)CC1	2223567310	WTVWPAZHYHRDTD-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C1(CNC2CCC2)CCCC1	2223594700	MOOIVUHPNHRGOU-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@]1(C[C@H]2CC[C@@H](C)C2)C=CCC1	2223601677	WWQFAFYFGJLPED-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1ccc2occc2c1	2224198634	SZEWPOKOVPKKGU-WFASDCNBSA-N	246.350	4.539	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1sc(C)c(C)c1C	2242871846	UHJDDVRTCFOEJN-ZDUSSCGKSA-N	240.412	4.533	0	10	BJAE	
CC[C@](C)(CN)CC[C@@H](C)CCCC(C)C	2244835822	GRCXQTCLSDAQMY-GJZGRUSLSA-N	227.436	4.604	0	10	BJAE	
CCCCC[C@@]1(O)CC(C)(C)CCC1(C)C	2245448352	WTKVMZFUPFXMNL-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H]1C(=O)C(C)(C)CCC1(C)C	2245486191	KPNKGDCVLOIOGY-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CCCCC12CC2	2246617130	IUHCWKAGIARBDC-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CC[C@@H]1CCC[C@H](C)C1	2246658915	DSRHLNPQJLPNOT-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC[C@@H]1CCC[C@H](C)C1	2246726716	KYRZGRYMIXZLIG-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)CCC(C)(C)C)C1	2246727333	MSMKNCWOPUNIOE-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CC(=O)c1ccc(-c2sc(C)c(C)c2C)cc1	2246820642	PPGFLARJZNPVIZ-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
C[C@@H]([C@@H](N)c1cc2ccccc2s1)C(C)(C)C	2246878098	QSYIKOGUKBOXCN-IINYFYTJSA-N	247.407	4.583	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@](C)(O)C1(C)CCCC1	2247129763	QJYVLWSXOFQILA-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(N)CCCCCCC1	2247173000	BWZVOPSCWYXVOO-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC1(C)C)C(C)(CC)CC	2247441471	OTPGOXBYTUSTFY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CC1=CCCCC1	2247491186	WTAOYJVSJSYNFA-JKSUJKDBSA-N	236.399	4.598	0	10	BJAE	
Clc1ccccc1NCC[C@H]1CCCC12CC2	2247654247	IUXDLPZUPBIMAF-GFCCVEGCSA-N	249.785	4.722	0	10	BJAE	
CCC(C)(C)CN(C)CCCCC[C@H]1C[C@H]1C	2248842491	QPALNVFQIKWMMG-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)CN[C@@]1(C)CCCCC1(C)C	2250381108	LAAISCZSANMVFB-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@@H](O)CC[C@H](C)CCCC(C)C	2250478001	DKFAVFLCQUZFAU-UGUYLWEFSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@]1(C)C[C@H]1C	2250485020	JFCHGJUNAAARGQ-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C)C(=O)CC1CC(CC(C)(C)C)C1	2251583278	UQVSGWFUXCOZQJ-IYXRBSQSSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](N)C[C@H]1CCCCC12CC2	2253789304	RLMIOOAPHZRJBA-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NCC[C@@H]1CCCCC12CC2	2253893224	CCYNXFSVAKBFMA-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C(=O)CC[C@@H]2CCC[C@@H](C)C2)c(C)o1	2253937304	HWLNUJOTCJENHO-RISCZKNCSA-N	248.366	4.686	0	10	BJAE	
CCCc1ccc([C@H](N)CC2(CCC)CC2)cc1	2256295951	LHSTXYKCMVMIFG-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNc1ccc(CF)cc1	2257361883	OQBTXNCCEAOKGG-HIFRSBDPSA-N	249.373	4.784	0	10	BJAE	
CCC[C@@H](CC)C(=O)Cc1ccc(C2CC2)cc1	2259440639	AGQXDSXONIGOFX-CQSZACIVSA-N	244.378	4.502	0	10	BJAE	
CCC1(C[C@H](NC)[C@]23CCCC[C@@H]2CC3)CCC1	2260486013	IKBTWEBHQSUHQU-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CN[C@@]23CCCC[C@H]2CC3)CC1	2260531571	AWOVCDYFSOYLOW-SJJHQCBESA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@]23CCCC[C@@H]2CC3)CC1	2260570093	OKWUSFQEQHIWMH-ZBFHGGJFSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@]23CCC[C@H]2CC3)CC1	2260669542	IFRIZDOURRXJJJ-LTIDMASMSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1CC[C@H](CCC(CC)CC)[C@@H]1CC	2300687878	HJIZUGREKKQPNW-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@]1(N)[C@@H](C)C[C@H]1C	2300992810	DLNHPGJIACOFKM-LVQVYYBASA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)CC1CCCCCC1	2301200438	DQLARHNWMSSMNF-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H](C)[C@H](C)C(C)C	2301953079	NCEJQSCAXZDCQK-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CCCC(CCC)NC[C@H]1CCC(C)=C(C)C1	2303469664	HAAMMZUUFDUTQX-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC[C@@H]1C[C@H]1CC	2303610593	INYNKNGJYUAQCJ-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)CC[C@@H]1CCC(C)(C)C1)C1CCC1	2304434780	LCRNBFJCNOHQPR-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@@H]2C[C@H]3CCCC[C@@H]32)n1	2307694103	MXILQCXEVFOLHJ-NAWOPXAZSA-N	247.407	4.560	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H](C)C1CCCCC1	2307880362	WCNHCROSJQXPAQ-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C(C)(C)C1CCCC1	2307897230	AAKIHGKCQIEDPN-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
C1CCCC(N[C@H]2C[C@H]3CCCCCC[C@@H]23)CC1	2309184086	AAIZVCSRFVNIBH-OIISXLGYSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@]23C[C@H](C)[C@@H]2C3)CC1	2311021546	UGGYONKJSZQIGR-WNZSCWOMSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCCCC1	2311607905	LWOCJDRPMVMTDZ-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1C[C@@]12CCC[C@@H]1CC2	2313342131	GSPJNBOEYFZMQD-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)CCCC12CCCCC2	2313674028	VWWMFIHERKWMRS-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(N)(CC1CC1)CC1CC1	2315448673	DRCDEGVJUAWPER-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CCC[C@@H]2C[C@H]21	2315885286	CDWBGZYYGYTVHV-BZUAXINKSA-N	243.394	4.719	0	10	BJAE	
CCC(CC)CC[C@H](N)c1ccc2occc2c1	2316238607	NISKBGSEKWPPHI-HNNXBMFYSA-N	245.366	4.649	0	10	BJAE	
CC1(C)CCC[C@]1(N)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316868723	AHJYKKHZMVBDFC-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CC1CCCCCC1	2316879630	GFCAIMVXAHCVHW-XIRDDKMYSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H]1c2ccccc2NC[C@H]1C	2317950389	IVGWJLUGNDBHJT-FHIRATQRSA-N	245.410	4.760	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)CCCC1=CCCCC1	2318561565	OTNPXQMAEZSVHQ-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@H](N)CCCC1=CCCCC1	2318569038	OTNPXQMAEZSVHQ-USXIJHARSA-N	249.442	4.811	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC[C@H]1CC[C@H]1C1CC1	2319731252	SHGJWCIQQCULML-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)cc(NC[C@H]2CC[C@H]2C(C)(C)C)c1	2320320397	NUPPDNLQCRZNER-GDBMZVCRSA-N	245.410	4.788	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C[C@H]2CCC(C)=C(C)C2)C1	2320387640	IQPGPNQOFPRJFB-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](COc2ccc(F)c(C)c2)CC1	2320388852	UWBSTVBOAKKESU-CQSZACIVSA-N	248.341	4.649	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@H]2CCC[C@H]2C)c1	2320514794	INCYFEXTQZOPPA-FRFSOERESA-N	245.410	4.636	0	10	BJAE	
CC[C@@H](C)[C@@H](NC)c1c(C)c(C)c(C)c(C)c1C	35467679	FBYLKZOUANHXHI-BMLIUANNSA-N	247.426	4.535	0	10	BJAE	
CCC[C@H](N[C@@H](C)CC(C)C)c1cccs1	49541005	IJYROHLPLLAYLV-STQMWFEESA-N	239.428	4.614	0	10	BJAE	
Cc1ccc2cc(C3CCCCC3)[nH]c2c1	83989101	RKZVAXLRNILRIQ-UHFFFAOYSA-N	213.324	4.524	0	10	BJAE	
CN[C@H](CCC1CCC(C)CC1)c1ccccc1	85083023	NQNHRXPWEZRBEB-VMBOVVBDSA-N	245.410	4.554	0	10	BJAE	
CCC1CCC(N[C@H]2CCC[C@H](C)CC2)CC1	86889262	LYLZMFOTWAOZHB-UIDBIOKJSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@]1(N)CC1CCCC1	109704166	XSTTWPLXQNZTLF-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CCCCC1)C(C)(C)C	112867657	LPESGNXYKSGZRK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C[C@@H](C)C(C)(C)C	124832669	AECPJWZQYZUGHI-ILXRZTDVSA-N	241.463	4.993	0	10	BJAE	
CC[C@H](NCCCCC(C)C)c1ccccc1	134291271	HQRRMGSZSQISKK-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CC[C@H](C)C[C@H]1CCCC[C@@H]1CNC(C)(C)C	155672546	URNNNZULUSXFSK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](OCC)c1nc([C@@H](C)CC)cs1	157543754	VWXWNIZXWMWPKR-JQWIXIFHSA-N	241.400	4.534	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1ccc(CC)o1	164251180	BLOSGFORLFPRIE-LBPRGKRZSA-N	236.355	4.631	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)(C)C)C1CCCCC1	167196462	ITTBXPOLVKXKNY-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CCC)C1CCCCCC1	168019714	BQYWQZQEXWTFJD-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@H](C(C)C)CC[C@@H]1C	207312127	LQCPRQMDPSFTCI-XUWVNRHRSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)[C@H]1CCCC[C@H]1CC	227029150	GRKAUTMUPZSSSR-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H]1CCC[C@@H](C)C1	250541216	PVPLCRYNKYXOSU-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCCC[C@H]1C(C)C	251300603	IXUHVMZHPQHAKK-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCCC1(C)C	251818276	PAYWYZTUAUEBSG-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CC[C@H](C)[C@@H](C)C1	252590799	DBHNUAYMHJACHV-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1N[C@H](CC(C)C)c1ccccc1	300584519	NBEQUUFTMROCCP-BRWVUGGUSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CCCC(C)(C)C)C1	300914066	SJMNHVDZRGZTDO-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCCC(C)(C)C)c1	302264902	FXUAYHJDAPRZNL-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
Clc1ccc2c(ccn2[C@@H]2C[C@H]3CC[C@H]2C3)c1	302272419	ANHPFUDNQGEYCB-ZIBATOQPSA-N	245.753	4.656	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@H](C)CC(C)C	302438975	WFHYHLOUOHEGPK-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(O[C@@H]2/C=C/CCCCC2)c1	302489095	RVQPSOGICILJHF-WCLQSUPFSA-N	230.351	4.517	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](C)(O)CCC(C)(C)C	304342655	FNVJAQLDEGOXCS-UKRRQHHQSA-N	228.420	4.636	0	10	BJAE	
CSc1ccc2sc(Cl)cc2c1C	306847464	JZJYMIWPQYYVOK-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCN[C@H]([C@@H](C)CC(C)C)[C@H](CC)CC(C)C	308090731	GNEZVPKLHOYBAW-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1cccc(C)c1F	310284770	ZUGGECQQLJKNPS-STQMWFEESA-N	235.346	4.515	0	10	BJAE	
Cc1cccc([C@H](C)N[C@H]2C=CCCCCC2)c1	310669144	FSWOGHJHYHUWPZ-RDJZCZTQSA-N	243.394	4.535	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1C)C1(CC)CC1	310976322	WXULFYOBDNNCFO-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
Cc1ccccc1[C@H](C)NCCC1(C)CCCC1	311227375	PZUAUKWAHVBQGP-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC(C)C)CCC[C@H]1C	317845575	SCUAUSMYVYEZMZ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@]1(CNC(C)C)CC[C@@H](C)C1	317904122	JQZISYBLIKUKKT-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H](C)CCC/C=C\c1ccccc1	324096249	CKLKHAJLZFDGAI-MRDWYFFCSA-N	245.410	4.506	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCCCCC(C)C)C1	383206963	PDUWWNVLPKSAQH-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CCc1ccc([C@@H](N)CCCCCC(C)C)cc1	383234298	ULNUTOWNWNHVFR-KRWDZBQOSA-N	247.426	4.855	0	10	BJAE	
CC(C)[C@H](CNC(C)(C)C)CC1(C)CCCC1	383650086	IZDMNVSIATUETM-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CC1(CC)CCC1)C(=O)O	383937939	UNWDGNVDNVYLQM-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CCCN[C@H](c1cc(C)c(C)o1)C1(C)CCCC1	385418940	XKOANNVQPLVWOU-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CC1(C)CCC[C@H](Nc2ccsc2Cl)C1	387242928	PBPAMXOXSRSIME-VIFPVBQESA-N	243.803	4.782	0	10	BJAE	
CCC(C)(C)CNc1ccccc1C(C)C	394653689	PQWUOIUSNMJNNZ-UHFFFAOYSA-N	219.372	4.658	0	10	BJAE	
CCCN[C@H](C)/C(C)=C/C(CC)(CC)CC	395131531	RVQYLEMKTZZORA-XTZCOPOCSA-N	225.420	4.537	0	10	BJAE	
CC(C)(C)C1CCC(N[C@H]2CC23CCCC3)CC1	395661572	YTAQLXGDNKTXAK-NRXISQOPSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H](C)C(C)(C)C)cc1	399304867	KDITUTRBAXWSHC-LBPRGKRZSA-N	232.367	4.675	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CC2(C)CC2)cc1	401251201	AJDISOGAEGVYKY-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CC1CCC(Nc2ccc3c(c2)CCCC3)CC1	404643294	MTLMCJWJLJKDQQ-UHFFFAOYSA-N	243.394	4.556	0	10	BJAE	
CC[C@H](C)Nc1cc(Cl)c(C)c(Cl)c1	606289625	CPXFTNLMQIVHLX-ZETCQYMHSA-N	232.154	4.512	0	10	BJAE	
Cc1cc(Cl)ccc1NCCCC1CCC1	688370625	ILRLERYLVYYECR-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CC[C@H](C)SC2)cc1	689403665	WPRJFFGSYNCQEB-SWLSCSKDSA-N	249.423	4.506	0	10	BJAE	
C[C@@H]1CCC[C@H](CNc2cccc(C3CC3)c2)C1	690076927	VHUYOVJYQFKECS-KGLIPLIRSA-N	243.394	4.802	0	10	BJAE	
c1cc(NC(C2CC2)C2CC2)cc(C2CCC2)c1	690123159	VOYJWONOANXJEN-UHFFFAOYSA-N	241.378	4.555	0	10	BJAE	
CC1CCC(C[C@@]2(O)CCCCC[C@H]2C)CC1	691186402	MLOMGUOWHCPEAD-KNIAUWFNSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1CC=CC1)NCC	692062311	SJIPHAAABMKJGC-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)CCN[C@@H]1CCCCC[C@@H]1C(C)C	696216601	SNSIFFVTXOZDCV-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@H]2C[C@H]2C(C)(C)C)c1	700010247	DACAEXLVHWFHBX-OAGGEKHMSA-N	246.394	4.526	0	10	BJAE	
CCCNC[C@@]1(CC2CC=CC2)CC[C@@H](CC)C1	700921135	IVNUOMYSPLOBME-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCC(C)(CC)C(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O	701041228	AZGYCWZINOHSIK-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C(C(C)C)C(C)C)C(C)(C)CC	701100289	WVEPCHSGMMCICS-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CC1(C)C[C@]1(C)CN[C@H]1CCCCC12CCCC2	701992101	FUPHPSZCNBATRB-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@]1(CNC(C)(C)C)CC1(C)C	702173080	VCSVYABJWJVMMC-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(Cc1ccc(C(C)C)cc1)C(C)(C)C	704871809	YNKARIHWTHKOBB-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
CCCc1ccc(N[C@H](C2CCC2)C2CC2)cc1	705325948	SEWYNOFXLTVZPD-QGZVFWFLSA-N	243.394	4.630	0	10	BJAE	
CC1(C)CCC[C@H](NCC[C@@H]2CC=CCC2)CC1	706871972	YXJJKGXVNRQNON-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)CCC(C)(C)C1CC1	708318829	IYRFJHBKWOJGJM-GXTWGEPZSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](NC[C@@H](C)CC(C)(C)C)C1CCCC1	709077993	UMJQMOPQQIIJJY-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)CCC12CCCC2	709232231	LXFKLERCNINBJZ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@](N)(CCC1CCCCC1)[C@@]12CCCC[C@@H]1C2	709271329	DAYBQAPOXSSQFR-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CSc1ccc(N[C@H](C)CC2CCCC2)cc1	709769730	TYDUEMKDOCGPEL-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CCC[C@](O)(C[C@H](C)C(C)(C)C)C(C)(C)C	710709060	VLVLZUCKZXYUSJ-WFASDCNBSA-N	228.420	4.636	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(O)C[C@@H](C)C(C)(C)C	710741329	BRYOUSCOVJGOHW-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](CC(=O)CC1=CCCC1)C(C)(C)C	711112707	FTYONUATTRCHPG-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@H](C)C(C)(C)C)C(C)(C)C	711193548	SINJWPWTDCKNII-BFHYXJOUSA-N	242.447	4.882	0	10	BJAE	
CCC(C)(C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O	713180857	BSMQDNJKZLVBLI-BFHYXJOUSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C\CCc1cc(C(F)(F)F)ccc1C	713655486	IQRHTYRRRBAKHX-PLNGDYQASA-N	240.268	4.689	0	10	BJAE	
C=C/C=C\CC[C@@H]1C[C@H](CC)CC[C@H]1CNCC	713710093	MKVBPKFAVYGRJP-BIAFVLJASA-N	249.442	4.561	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCC(C)(C)CC1=O	717529421	AAJZYCDGGOOQRI-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC2CCC=CCC2)CC1	718052666	LGVBDYPZBGXOBG-WBVHZDCISA-N	249.442	4.824	0	10	BJAE	
CC(C)=C(C)CCNc1cccc(C2CC2)c1	718493661	IDYOTOOJRXLQMY-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CC1(C[C@]2(O)CCCCCC2(C)C)CCCC1	719274637	SYZMQRZOGMCGSJ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC1CCCCCC1	719288117	QEGFLWYQHPXKNW-HNNXBMFYSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	723130683	JBZPOYGEVFYMJJ-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CCCC2(CC2)C1	723603727	YPYWFMBBIONUPT-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
CCC(CC)C[C@]1(O)CC[C@H]2CCCC[C@H]2C1	723649609	ZULMZCHGMATEQD-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
C1=C[C@H](N2CCCC3(CCCC3)C2)CCCCC1	1193517297	QJUBLFOKMFCIKE-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@@H](CC)CCC)s1	1900668158	LSLLFNUVBQUGEF-FZMZJTMJSA-N	239.428	4.527	0	10	BJAE	
CCC(C)=CCc1ccccc1C1(C)CC1	1900904842	YGIALULGKRIJSJ-UHFFFAOYSA-N	214.352	4.637	0	10	BJAE	
Cc1cc(-c2ccc(CC3CC3)cc2)cs1	1901901576	MMYWWVPUTBXOEL-UHFFFAOYSA-N	228.360	4.676	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCC[C@H]1CC	1905364584	COZKTAURJCXPOA-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)[C@@H](C)CC(C)C	1905430635	CYMKIMICIAJAMQ-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC=C(C)C)NCC	1905444961	NWIHGHRWGXKRST-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
C[C@@H]1CC(CC2(N)CC3(CCCC3)C2)C[C@@H](C)C1	1912708788	RSTNEFJBFWMCDH-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@](C)(O)c1cc2ccccc2o1	1919976496	RJPUAFIJWHAOQT-MRXNPFEDSA-N	246.350	4.611	0	10	BJAE	
CCC[C@@H](C)C1(CNC(C)(C)C)CC(CC)C1	1921203292	FIPJTVIRDCERRS-VQCLRJIVSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(CC2CCC2)CCCC12CCC2	1921600296	CLYNZGIWJBYTOD-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCC1(C[C@@H](O)[C@@H](C)C2CCCCC2)CCC1	1923904805	NXBZNFFILZHGFO-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H](C)C1CCCCC1	1924101281	QTLZUPZVRGELBI-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CNC[C@]1(C[C@@H]2C=CCCCC2)CCCC[C@@H]1C	1925803689	VBSCYDKFDQDREY-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(CC[C@@H]2C=CCC2)c(Cl)c1	1932594919	GAPKZRJHLNSPKB-GFCCVEGCSA-N	220.743	4.547	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)c1csc(C)c1	1937275749	BBXBRJQYRHSTFL-DGCLKSJQSA-N	239.428	4.533	0	10	BJAE	
CCCC1(NCC(CC)(CC)CC)CCC1	1937805690	ITGDUODJICBSJU-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCCCC(C)(C)CNCCCC1(C)CC1	1940872498	MVLNRBGEFODGPM-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](N)CC1(C)CCCC1	1941266377	DYGRLQITKBOPPH-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@@H](CCCCCC2CC2)[C@@H](O)C1	1941573856	UDWBHTPYJDVPKO-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@]1(CN)CCCC1(C)C	1944476606	ZCVRUWODRGRQSU-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)C(C)(C)C1CCCC1	1944642486	WMEYMDLALXKGLZ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(O)CCCC(C)(C)CC1	1944870974	XYURSITUYPXOBC-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@]1(O)CCCCCC1(C)C	1944871745	ZMHMPUZXJYTIJP-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)CNCCC1(C)CCCCC1	1945426188	ZFAVCAYVPJHIAM-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCCCCCC1(F)F	1947297729	LCQSPOCOMMMXKF-STQMWFEESA-N	247.373	4.513	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCCC1CCCCC1	1947457773	WVQLQIHSBMSYER-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CC2=CCCC2)CC1	1949035077	JOHKMQSPBJGXMI-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H](CC(=O)[C@@H]1CCC(C)(C)C1)C(C)(C)C	1949500982	IUQUKLILDBWOTI-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@@H]2CCC(C)(C)C2)CC1	1950922887	QQKLNJRUQLQZSY-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@]1(CNCC)CCC[C@@H](C)CC1	1950929966	LOBKWTWJIQCYNB-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CC1(C)CC[C@@H](CN[C@@H]2CCCCC23CCC3)C1	1967718128	YGCUDVIOAFRPSE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H](C)C1CC2(CCC2)C1	1968361314	IYGUQSFDCMGQTQ-LBPRGKRZSA-N	247.357	4.515	0	10	BJAE	
C[C@@H](CN(C)CC1CCCCC1)CC(C)(C)C	1968508323	IVAAPMRTDGJCMT-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H](C)CNc1cc(C(C)C)ccc1C	1968598574	ZSTJNSPDWRJBST-GFCCVEGCSA-N	219.372	4.576	0	10	BJAE	
CC[C@@H](NC[C@@H]1CCC2(CC2)C1)C1CCCCC1	1969164689	GPNARJWSMHVSAT-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NC1CC2(C1)CC(C)(C)C2)C1CCC1	1969867659	XXQTYXDRHKIEDQ-OAHLLOKOSA-N	249.442	4.514	0	10	BJAE	
CC=CCCCc1ccc(CC2CC2)cc1	1984606570	IRGVGCHSRBCWKX-UHFFFAOYSA-N	214.352	4.538	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](Nc2ccccc2Cl)C1	1994914791	RUJJJRLASRMTBA-NWDGAFQWSA-N	237.774	4.577	0	10	BJAE	
CCC/C=C/CNc1ccc([C@@H](C)CC)cc1	1995868103	VPTFWLDABOJMRI-NPQIQWPPSA-N	231.383	4.968	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@H]1CC[C@H](C)C1	1996262706	GEMZICZJNHSGDD-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@]1(C)CC=CCC1	1997551211	JRVHXLQDJSDWRS-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC(C)C[C@H]1CC[C@]1(O)CC1(C)CCCCC1	1998741891	BQMWTCKGDZNRBE-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)[C@@H]1CCCC(C)(C)C1	2000026551	DHBLTSKQICWANC-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(=O)[C@H]1CCCC(C)(C)C1)C(C)C	2000107507	UILDGCVDSMAIIC-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CNC(C)(C)C)C[C@@H]1CCCC(C)(C)C1	2000161532	GMCPNTXNPBQPOG-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C1(C(C)C)CCC1	2000391105	UIJQUDIESLGIHY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCN1CCCC12CCCCCC2	2000897036	SEICBXWAXZONGS-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
Cc1ccsc1C(=O)C[C@H]1CC12CCCCC2	2001255037	PYGZWBHEFNDTKC-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002203134	ZSTPRLGLWOUJLF-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H](C(F)F)C(C)(C)C	2002425757	KHMOLRQTFRHGQM-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
CC(C)CCC(=O)C[C@]1(C)CCCCC1(F)F	2002594084	OOLXTBRPVHSOCS-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CCCC(C)(C)C)C1	2003012861	CNYZPTJNWKFQRJ-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CCN[C@H](C)[C@@H]1CCC[C@@H](C)C1	2003019857	XXUKZGPASCIXRN-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](CCC)NC)CC1	2003069506	YYTRMJBNRIGQNF-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
Fc1ccccc1NC1CCCCCCCC1	2003101771	YVEKIBFCWUMOKQ-UHFFFAOYSA-N	235.346	4.741	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCC(C)(C)CC[C@@H]1N	2009405076	UZWQTXCFKMNJNG-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@H]1CC=C(C[C@@H](N)c2cccs2)CC1	2010747484	KIUUEVGHHJIEIU-UONOGXRCSA-N	249.423	4.521	0	10	BJAE	
CCCC(C)(C)[C@H](CCC[C@H]1C[C@H]1C)NCC	2011577486	QDIGRSJMTAXHLD-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C[C@@]1(N)CCCC(C)(C)C1)C(C)C	2015396946	GOGSDYVZQCCWQZ-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CCc1ccccc1N[C@@H](C)CCC=C(C)C	2016144854	MCFYCTYVGAYQGQ-AWEZNQCLSA-N	231.383	4.796	0	10	BJAE	
CC(C)C1(CC(=O)C(C)(C)C2CCC2)CCC1	2017128680	GBCCBTWZDCJVLV-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCNCCCCC1CCC(CCC)CC1	2017734611	RQLZZWWKEXBEBJ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCCC[C@](O)(CC)C1=CC[C@@H](CC)CC1	2018131293	SLMRKJTWTXPPDA-GDBMZVCRSA-N	238.415	4.844	0	10	BJAE	
CCN(CC(C)C)C1CCC(C(C)(C)C)CC1	2019405173	OPUKKLPQPICLCM-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC=C(CC)[C@@](N)(CC)C1CCC(C)(C)CC1	2020914971	ZSRXNXLZEGWBMX-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1(CC(C)C)CC1	2020969356	ZIQOLQSJBKULDF-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@]1(C)CNC(C)(C)C1	2022142986	YPQNBDPAUDRWBW-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CCCC(C)(C)C2)C1=O	2024103434	ZUSWSDLCPYRAKF-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@](O)(C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2024125375	TVWJDXJIQCHKMS-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)C[C@H]1CCCC(C)(C)C1	2024126759	ZBVRJMMZGKHRQD-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1C[C@H]2CC[C@H]1C2	2026081577	LQVKTQHKTCENRM-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCN1C[C@@]2(C)C[C@H]1CC(C)(C)C2	2027024299	WAQLBUJADDAVHO-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
CC1(CN2CCC[C@@H]3CCCC[C@H]32)CCCCC1	2027276849	WRJKAXZQTZGZLN-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H](C[C@H](O)C=Cc1ccccc1)C(C)(C)C	2028588405	NYKFJXZQYFHNBQ-JKSUJKDBSA-N	246.394	4.523	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1ccc(C2CC2)cc1	2029825289	MUBASGIOFPNJPC-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCN[C@@H](c1ccc(C2CCCC2)cc1)C(C)C	2031750409	SASICSPEONJNEH-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC[C@@H]2CC23CCC3)CC1	2032075904	LORQBSPBKVZCOC-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)c1ccccc1C1CCC1	2032343933	LMHSPSSCDSYDGD-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2[C@H]3CCC[C@H]32)CCCC1	2032790564	PCKBCIIZBSXYEM-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccc(OC2[C@H]3CCCC[C@H]23)cc1	2033478880	MVDOGVJDCRFQDV-GJZGRUSLSA-N	244.378	4.552	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@H]1C=CCCC1	2035570337	ZCZHISMQYCERJH-CQSZACIVSA-N	242.362	4.739	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)CC[C@H]1C[C@H]1C=CCC1	2035601630	POZNIPKIRUNYKL-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)C[C@H]1C=CCCC1	2035602474	WEKIZLFTOPPXTN-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](n2ccnc2C2CCCC2)C[C@H]1C	2036775402	DUOBMHFWROPVLU-UMVBOHGHSA-N	246.398	4.538	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(CCC2=CCCCC2)C1	2037171040	BBQYNJWUCNESLF-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
O=C(CC[C@H]1C[C@H]2CC[C@H]1C2)CC1CCCCC1	2038164756	DBUZBSVTJFOQLY-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C1CC2(C1)CC1(CCC1)C2	2039462630	VLOCYXHLNUWGMK-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)C12CCC(CC1)C2	2039865790	SAPLYCGTCBIIPB-VEAWUBTESA-N	247.357	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)c1cccc(CC)c1	2040725686	JUHQRGHCTLCLGW-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@]1(N)CCCC2(CCC2)C1	2041289756	LAVKVPHMPNXOBT-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC=CCC2)CC1	2041378958	HVZSEVBISLFHRF-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)cc1C	2046486760	TZDHTVBPINQDSX-QLPKVWCKSA-N	243.394	4.548	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@@H]1CC12CCCCC2	2047015257	HPLIVYUSINCABB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2CC23CCCCC3)C1	2047052139	KPVWTGRTIWNZLH-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
FC1(CNc2cccc(C3CCC3)c2)CCCC1	2047238233	DGUIQRUNDIOGRL-UHFFFAOYSA-N	247.357	4.648	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047436869	HREUWFKYLOQGOX-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@@H](N)C[C@@H]2CCC23CCC3)CCCCC1	2047932607	NQHAAWXFZZZSNM-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@@H]1CCC12CCC2	2047961712	KLTHOYFIHOUZFI-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](CNC[C@]2(C)CC=CCC2)C1	2049508060	GDWSAXRGWRFASO-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1(C[C@@H](N)C[C@H]2[C@H]3CCCCC[C@H]32)CCCC1	2049796306	XQIUTUSGFOXOKI-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2CC(CC3CC3)C2)C1	2050213480	MCSHTXBQFIIOJE-SHARSMKWSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)c2ccccc2F)C1	2050495599	VSIYXPWSTODZKP-STQMWFEESA-N	248.341	4.615	0	10	BJAE	
CC1(C)CC(C[C@H](N)[C@@H]2CCCCC23CCC3)C1	2053416269	QBSWDNVNESRJJT-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@@H](NCCC2CCCCCC2)CCC1	2055550448	SVWXMDVGFNDMHG-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H]1C[C@H](CC2CCC=CCC2)CC[C@H]1C	2055599765	MQBWBTSWVKHBPW-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC1=CCCC[C@H]1NC1CCC2(CCCC2)CC1	2055670932	CBGMWWHFSANRRN-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C1(C2CC2)CCCC1	2057608622	IDSPWILDOLRBNS-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC=CCCC[C@H](O)[C@H](c1ccccc1)C(C)C	2059224583	CILAGEVQHBPOOS-IRXDYDNUSA-N	246.394	4.534	0	10	BJAE	
CC1(C)CC=C([C@]2(N)CCCC23CCCC3)CC1	2061110582	IQWHFLYKWZIHEB-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](CC[C@H]2CC2(C)C)NC)CC1	2061138943	BFDCFKVSBCKBDL-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)C2(C(C)C)CCC2)CC1	2061151371	ROGRXONTIZYYQP-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)C2CC(=C3CC3)C2)C1	2061728573	LWDBFXUDULJFGM-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063486742	LIWRUMOGFVVQTL-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCCC1)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063535572	KIXJVUWIMTXCEI-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCCC[C@H]1NCCC12CCC(CC1)CC2	2065257932	GLABIPLUINGKCF-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C(=O)C[C@H](C)C2CCCCC2)oc1C	2068908209	RASMSQFMWIPYFO-LBPRGKRZSA-N	248.366	4.686	0	10	BJAE	
CCCC1(CN2Cc3ccccc3[C@@H]2C)CCC1	2069281886	CZRADDKJOBUXKD-AWEZNQCLSA-N	243.394	4.534	0	10	BJAE	
CCC1(CC(=O)c2ccc([C@H]3C[C@@H]3C)o2)CCC1	2069284222	XGBDBMXBRXTCOL-RYUDHWBXSA-N	246.350	4.556	0	10	BJAE	
COc1ccc(C)cc1N[C@@H](C)CCC=C(C)C	2070398419	MENLUZQHCNEFCK-AWEZNQCLSA-N	247.382	4.550	0	10	BJAE	
CCc1ccc(N(C)CC2(C(C)C)CCC2)cc1	2071916372	YQNUXXNDCADGSD-UHFFFAOYSA-N	245.410	4.512	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)c2ccc(C)cc2)CC1	2072694974	DQCQLRITKBJEBS-DJIMGWMZSA-N	245.410	4.601	0	10	BJAE	
CCCC1CCC(C[C@]2(N)C=CC[C@@H](C)C2)CC1	2072880621	YFUXJULHSGPMMA-VXLLPVPCSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H]([C@H]2CCNC3(CCCCC3)C2)C1	2074142649	UZRYYLDRDONWNQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(CN[C@H]2C=CCCCC2)CCCCCCC1	2075361599	ZUOMDVLUEVUJPF-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC=C(CC)[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCCC	2077198112	YABPXBJNOUPUQD-LLLHUVSDSA-N	249.442	4.537	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2CC3CCC2CC3)c1	2077262829	YIBSUTCEZOPOFA-AJUCZRQESA-N	241.378	4.555	0	10	BJAE	
CCCCc1ccc(C(=O)C[C@@H]2C[C@H]2CC)cc1	2077932052	XGKFUXXVVHCREZ-ZBFHGGJFSA-N	244.378	4.648	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H]1C[C@@H]1C(C)C	2079429627	YDKOJHLOJSULQQ-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1C[C@H]1C1CCCCC1	2079531131	QJPWNTZSTXXPRP-BHYGNILZSA-N	249.442	4.680	0	10	BJAE	
Cc1ccccc1NC[C@@H]1C[C@H]1C1CCCCC1	2079638506	CVMYUMYRZVLLIL-HOTGVXAUSA-N	243.394	4.623	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)C1(CC2CC2)CCC1	2079840449	CAUXFWXABJJNEN-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1C[C@H]1c1ccccc1	2079841604	JVELASLQVURCRR-CABCVRRESA-N	244.378	4.576	0	10	BJAE	
CC1(C)CCC[C@H](CC2CCC3(CC2)C[C@@H]3N)C1	2082976515	RFRPWMHKSPRKFJ-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CC2)CC1(CC)CCC1	2086346163	JPLKSLOBRJTALP-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CC(N)(CCCCCCC2CC2)C1	2213575934	LCXLBDXAHTZBJL-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC1([C@H](N)CCCCC2CC2)CCCCCC1	2214587235	ZCYUHHNPPTXZER-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CC[C@H]1CC(=O)c1cccc2ccsc12	2215061811	KLKUCKWPZMKVOQ-JQWIXIFHSA-N	244.359	4.520	0	10	BJAE	
CCCCCC[C@H](CC[C@@H]1C[C@@H]1CC)NCC	2215252024	PPNXULCNFBSYRS-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCC(C)=C(C)C)CC1	2215820125	AXSQGSYRWZNYOB-MRXNPFEDSA-N	234.383	4.829	0	10	BJAE	
CCCNC[C@]1(C(CC)CC)CC=C(C)CC1	2215839565	LINGSPLFUITXHX-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCCN[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216248496	XVIZXHTUUDBGBT-XEVLESSRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)C[C@H]1CC[C@@H](C)C1	2217157108	QJEBHTJPUYDJDI-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218341531	XBRCRZWKLSJNFL-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)C[C@@H]1C[C@H]2C[C@H]2C1	2218724809	KKXNESYPHIWKAZ-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C1(C2CC2)CC1	2220030606	NRQLCERXDCJQQJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC([C@@H](N)CCCCC3CC3)C2)C1	2220047108	QOTRWTRRUULMLM-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@H]1CC[C@@H]1C	2220557467	HIBLPZFPNMTGRL-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@@H]1CC(=O)c1ccccc1C(C)(C)C	2220642652	LPRLMHWXWQRWAT-QWHCGFSZSA-N	244.378	4.603	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2(C)CC3(CCC3)C2)[C@@H]1C	2221041596	TUTWBCMHGGJCFN-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CCC2(C)CC(C)(C)C2)cc1	2221075795	KIOIGCSDUKCMJW-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@@]1(C)CC=C(C)CC1	2221596104	AGGWIURNZPACJU-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
O=C1CCC[C@H](C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2222953715	DPPWFGXFAJKBEC-UGUYLWEFSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CCC[C@H]2C)C=CCCC1	2223603212	XHWVPVQFLASRBZ-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1cccc2ccoc12	2224150951	MFHGTEHURPNZPN-CQSZACIVSA-N	245.366	4.649	0	10	BJAE	
CN[C@H](CCCC(C)C)c1cccc2ccoc12	2224198326	PEFHXQDHZRWNHG-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CCC[C@](N)(CC)CCCCC[C@H]1C[C@H]1C	2243907037	FKGNYDNVXDRHAE-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC1(C)CCCCC1	2244776930	CWCKIWVYGVQWAH-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)NCC[C@@H](C)CCCC(C)C	2244848054	XAKPUSDIRNVLEO-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCC[C@H](O)CC[C@H]1CCC[C@H](C)C1	2246697488	XLSRXOZNTPNLLS-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC[C@H]1CCCC12CC2	2247608104	HAYZQLBSNRLALF-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCC1CC(N)(CCCCC[C@@H]2C[C@@H]2C)C1	2248817133	VEKFHVKFSGEBRM-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@H](CCCCC[C@H]1C[C@H]1C)NC	2248823353	UTSHOPHTXLDESP-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)CNc1cccc(C(C)(C)C)c1	2249257709	HTWGXMCHPVJJPC-CYBMUJFWSA-N	233.399	4.688	0	10	BJAE	
CCCC[C@H](CC)CN(C)C1CCC=CCC1	2249312629	NVVIYKXPBSYYPY-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CNC[C@H](CC[C@@H](C)CCCC(C)C)C(C)C	2250491105	NHPIXYIZCOZJEW-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
Cc1cc(C(=O)C[C@@]23CCCC[C@H]2CC3)cs1	2251157549	IWRXQCDTJLYRJM-ZFWWWQNUSA-N	248.391	4.600	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@]12CCCC[C@H]1CC2	2251196740	POVWHNYOXJURQF-DZKIICNBSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@](C)(CN)CC1CC(CC(C)(C)C)C1	2251574447	WKRZVBFKIHTHKA-ZBCRRDGASA-N	239.447	4.604	0	10	BJAE	
CCCCCC[C@@H]1CCC(C)(C)[C@@H]1NCCC	2251714730	YVJLVSFTTYVWGO-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](CCC(F)F)C(C)C	2253254336	ZXHLLVVSHNTRJT-OLZOCXBDSA-N	249.389	4.615	0	10	BJAE	
Nc1cccc(CCC[C@H]2CCCCC23CC3)c1	2253886345	KTMAFUKGIFOQPF-OAHLLOKOSA-N	243.394	4.562	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2(N)CC3(C2)CC3(C)C)C1	2253953136	YYFFSACBFDZKCX-JCAIJIATSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNC1(C2CC2)CCCCC1	2254526492	MGFXFTCIXJADSP-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@@H]1CCC12CCC2	2254978156	PDOFTJZLTUNOCJ-OFQRWUPVSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc2nc(CC3=CCCCC3)ccc2c1	2255118733	MVGUWLWWWMTHIS-UHFFFAOYSA-N	237.346	4.586	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC[C@@H]2CCCC23CC3)C1	2255262635	YIZOEJJJXUKRPP-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(F)c1NC[C@@H]1CCCC[C@@H]1C	2256145049	UDLXFZODUVXLLD-JSGCOSHPSA-N	249.373	4.626	0	10	BJAE	
CCCc1ccc([C@@H](N)CC(C)(C)C(C)C)cc1	2256295074	ZOXNMIPTUAZYMV-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1(N)CC2(C1)CC2(C)C	2257245683	BMIYCMSFCIENFJ-QBBMROGASA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H]2[C@H]3CCC[C@@H]2C[C@H](N)C3)CCC1	2258012828	SRIIVEBOPGMGJH-PLAPLOCASA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cc(C3CC3)ccc2F)C1	2259125905	JEASZQJWFXUAAE-FZMZJTMJSA-N	247.357	4.694	0	10	BJAE	
Cc1ccc(C(=O)C[C@@]23CCCC[C@@H]2CC3)cc1	2260567759	RAEAFUHOSCGTFS-WBVHZDCISA-N	242.362	4.538	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@]23CCCC[C@H]2CC3)C1	2260581515	ZQQHAXVJJLVICS-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@@]23CCC[C@@H]2CC3)CC1	2260601490	DMGXAKRFJRSOPS-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CCCC1CC([C@H](N)C[C@]23CCCC[C@H]2CC3)C1	2260604647	NKIMSQPVJMXPHP-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@]23CCCC[C@@H]2CC3)C1	2260605692	PODFRBVAUNYERE-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
C=C=CCC[C@H]1[C@H](NCC)C(C)(C)CCC1(C)C	2261441445	DFHVOCZTHHNBBY-GJZGRUSLSA-N	249.442	4.548	0	10	BJAE	
CCCN[C@H](CCC1CC(C)C1)C[C@@H]1C=CCC1	2261487987	BDQDEVAMRYWXCX-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1CCCC2(CC2)C1	2300673940	ONBQZCOPZRKOHX-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCN1CC[C@H](CC(C)(C)C)C1	2300703677	JAEKEAGUENRXAJ-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CCC(C)=CCN1CCCC[C@@H]1c1cccs1	2300887266	BMXREQQAOUMGGF-CQSZACIVSA-N	249.423	4.631	0	10	BJAE	
C[C@H]1C[C@H](C)C1NC1CCCCCCCCC1	2300944188	FHBLOJWDQJOGIG-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2CCCCCC2)C1	2301242228	QIZWKUZBZYYXHY-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
Fc1ccc(CC[C@@H]2C=CCC2)c(C2CC2)c1	2301289233	QOMGAPOUBOQGLC-GFCCVEGCSA-N	230.326	4.602	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)NCCC1CCCCCC1	2301714613	PLZFJEYXRLONOO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@@H](C)[C@H](C)C(C)C	2301825016	IEUTVERFCYEWIB-FZKCQIBNSA-N	241.463	4.848	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N(C)C1CCCCCCC1	2301971377	MRDGLHLRSQCJAT-CABCVRRESA-N	239.447	4.712	0	10	BJAE	
Cc1c(F)ccc([C@H](C)Nc2ccsc2)c1C	2302254163	JLGAHEXFNPOIOP-NSHDSACASA-N	249.354	4.677	0	10	BJAE	
c1sc([C@H]2CCCC23CC3)nc1CC1CCC1	2302255454	YAGJXNHGSFQJDX-CYBMUJFWSA-N	247.407	4.533	0	10	BJAE	
CCC(C)(C)CC[C@H](CCCCC1CC1)NC	2302569503	LKYLFTNBHSNYTK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCCC[C@@H]2C[C@H]12	2302989013	TVQUBTZBFZQWKZ-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CCNC[C@]1(C(CC)CC)CCC(C)=C(C)C1	2303467228	DMXWZPBMKJAAGA-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@H]1CCC(C)=C(C)C1	2303576057	RUSLVHNJICJJQH-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](CC)CN(C)CCCCCC1CC1	2307761611	URKPYHNSPPWAQZ-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@@H]1CCC(C)(C)C1	2307826291	KYMRCDKTQYPATF-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1ccc(C)cc1C	2307842189	IAYIFEZQHMIBLG-GDBMZVCRSA-N	234.383	4.553	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@@]1(C)CC1(C)C	2307893967	KDDHLCIRPKSYAK-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@@H]1CCCC1(C)C	2307902937	NCKISWNXAKKKMO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@]12CC[C@@](N)(CCCCCC3CC3)[C@@H]1C2	2310126700	NFCDOVPCQIOBMY-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@]12CCC[C@@H]1C2)C1(C)CCCC1	2310895550	WVHZNIQAGJOPGV-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CCC[C@@H]2CCCC[C@@H]21	2311207394	RCPHQJIKFOXTBH-QAETUUGQSA-N	249.442	4.610	0	10	BJAE	
CCC(C)=CC[C@@H]1C[C@@H](C)CC[C@H]1CNC1CC1	2316532845	SWDQGBBDXQHQJR-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1NC1CCC2(CCCCC2)CC1	2316586174	OIJHFNCEBYWVJG-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
N[C@]1(CC2CCCCCC2)CCCC[C@@H]1C1CC1	2316881221	OACSILGWOHQJAJ-SJORKVTESA-N	249.442	4.645	0	10	BJAE	
CC(C)NC[C@@]1(CC2CCCCCC2)C=CCC1	2316998408	JPOWOAGCAKTBIP-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)CC1CC2(CCCC2)C1	2318939012	PCUBXJXMXLPQOC-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)C[C@@H]2CC23CCCCC3)C1	2318988780	AIMXDKBEHCELDR-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)C[C@H]1CCC(C)(C)C1	2319080945	QMEVKVJWCJNBTD-CABCVRRESA-N	246.394	4.553	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C[C@@H]3CCCC[C@@H]3C2=O)C1	2319141749	VADRXWBDMUBABG-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCCC[C@@H]2C[C@H]12	2319338078	XUJWNJNJJMLEJV-VYDXJSESSA-N	243.394	4.630	0	10	BJAE	
CCN(C[C@@H]1CC[C@@H]1C(C)(C)C)c1ccccc1	2320309845	FIWSYXQOEWUWJE-HOCLYGCPSA-N	245.410	4.585	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CC[C@@H](C)CCC2=O)CC1	2320349127	XASKEJNVNPIIIZ-DAXOMENPSA-N	248.410	4.908	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1	20558276	VADCFTVTIYEFOT-OIISXLGYSA-N	245.410	4.868	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1C[C@@H](C)CC(C)(C)C1	21013901	BDHSLVJXVOLBEC-RISCZKNCSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@@H](NC)c1c(C)c(C)c(C)c(C)c1C	35467638	ADVXXTNLYMZUJL-MRXNPFEDSA-N	247.426	4.679	0	10	BJAE	
CC(C)c1ccc2cc(C(C)(C)C)ccc2n1	77255191	JBCLRTHBJORGKO-UHFFFAOYSA-N	227.351	4.656	0	10	BJAE	
CCCCCC[C@]1(N)CCC[C@H](CC)CC1	83435198	WOINOZYPBHWJCD-GJZGRUSLSA-N	225.420	4.645	0	10	BJAE	
Cc1cc(C)c([C@@H](C)Nc2ccsc2)cc1C	90866449	DWXNSUXKRAFKFG-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CCNC[C@@H](CCC(C)(C)C)c1ccccc1C	93104518	ZTKMHADUQFNUNV-OAHLLOKOSA-N	247.426	4.514	0	10	BJAE	
CC[C@H](C)C[C@@H](CNC(C)C)c1ccc(C)cc1	93138856	RHGGYSQDYADRLF-YOEHRIQHSA-N	247.426	4.513	0	10	BJAE	
CCCCCC[C@]1(N)C[C@@H](C)CC[C@@H]1C(C)C	103933636	NIDOXEUCKIIKQZ-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC)CNCC(C)C	104007399	ISRUTSLRKZSBMM-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
C/C=C\CCc1c(Cl)cccc1Cl	107501746	GARFBCMXCOZJSG-IHWYPQMZSA-N	215.123	4.502	0	10	BJAE	
C[C@@H](Nc1ccccc1C(C)(C)C)C1CCCC1	109790804	IGPKIDSMMYEYRF-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
CC[C@H](NC1CCCCCC1)C1CCCCC1	109953172	VZSIGTRGHPUBLN-INIZCTEOSA-N	237.431	4.658	0	10	BJAE	
CN[C@H](c1cccc(C2CCC2)c1)[C@H](C)C(C)C	133572143	MXNBNFLWYAKUJZ-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
O[C@H](CC1CCCCCC1)C1CCCCCC1	157272578	QTHUTUJBFOQLOZ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C1(CC)CCCC1	162735417	MKCHLAURFZANPL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(=O)[C@@H](c1ccccc1)[C@@H](C)CC	164759755	BYHOCKPDSYPYOE-WMLDXEAASA-N	246.394	4.966	0	10	BJAE	
O=C(CCCc1ccccc1)CCC1CCCC1	165205358	BFKHAPJEZZZWRV-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
O=C(c1ccsc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	165979134	BAYAZTWELVMMPS-YNEHKIRRSA-N	248.391	4.537	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)CC1CCC1	167132778	FFRFNEYCGWVAOE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1CCC[C@@H](C)[C@@H]1C	221686850	HANRKHDVUFQBLQ-LVQVYYBASA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CCC)NCC1CCCCCC1	225974909	BCBKWPMDHWQINO-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CC2CCCCCC2)c1	229496175	MKMHCDGOSPOXPJ-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
CCc1ccc([C@H](C)NCC(C)(C)C(C)C)cc1	234151386	QPFQQRJBXLBGBL-AWEZNQCLSA-N	247.426	4.582	0	10	BJAE	
CCCCCC[C@@H](O)CCCC(C)(C)C	300879326	OHHQGKIMMJKDEE-CYBMUJFWSA-N	214.393	4.534	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)CCCC[C@H]1C(C)C	305919234	HKCBJBBBCXFFSR-JYJNAYRXSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1ccccc1C1CCC1	306066947	YYCPHHGJDCSHQX-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](NCC)C(CC)CC	308040694	AYUVOMOTNOSDEB-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)c1cc(C)ccc1C	308091945	UJWZCZBYZVPJNI-RDJZCZTQSA-N	247.426	4.766	0	10	BJAE	
CCCNCC(C)(C)CC1CCC(C)(C)CC1	310151440	PEZJYKIBFPPVMN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC)CCCC1CCC(C)(C)CC1	310547485	VLZASIZWRHHQJW-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](NCC(C)(C)C(C)(C)C)c1ccccc1	311090195	QSRINHPEKCKNJE-OAHLLOKOSA-N	247.426	4.800	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)CCC(C)(C)C)c1	313442633	NIMJEJYWSIQMGX-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC[C@H]1CCC[C@@](CCC2CC2)(CNC2CC2)C1	319030818	IPUNOHKWJXHLET-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](CC)C1CCC1	322518825	IQZKWSGXMSWTQF-HUUCEWRRSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC23CCCC3)c(C)c1	328100634	KZIKYQMURMNWFJ-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)C[C@@H](C)CC(C)C)CC1	328311380	ALUVTVSIPNSKLO-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1CCCC[C@@H]1C	384527711	YTFQRUQHNGMNCX-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CC1CCC(C[C@H](C)[C@H](O)c2ccccc2)CC1	386849409	SNSLSSJFNSPHPZ-INTUILBWSA-N	246.394	4.573	0	10	BJAE	
CC1(C)CCC(Nc2ccsc2Cl)CC1	387240247	OOBIKSVTPFCTBA-UHFFFAOYSA-N	243.803	4.782	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H](CC)C1CCCC1	387560426	XMBWFGJJZMQQOZ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1cccc(Cl)c1	395112110	AUIXLNBRHOANRF-CYBMUJFWSA-N	240.774	4.590	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NCCCC1CCCCC1	395258223	HVZJQYCJZHSUGP-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CSc1cc(C(F)F)cc2cc(C)sc12	396414342	ZVPSCTLHHPRSPH-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@H](Nc1ccccc1C)[C@H]1CC1(C)C	397606825	HJUHSMGFLDSPMC-HIFRSBDPSA-N	231.383	4.622	0	10	BJAE	
Cc1scc(C(=O)CCC2=CCCCC2)c1C	399851233	KOFYKSGTFSNPOP-UHFFFAOYSA-N	248.391	4.828	0	10	BJAE	
C[C@H]1CCC[C@]1(CNC(C)(C)C)CC1=CCCC1	401102398	YXKNOKYVCGBEGC-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)CC1(C)CC1	401357459	GYTCFWATKJNQAI-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CC=CCC2)cc1Cl	402125937	GAMXYPKKPCKJAF-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
CCNCC1(C[C@@H]2CC=CCC2)CCCCCC1	402132858	HYTDTLCQHXMSJY-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)c1coc2ccccc12	404312444	XLUXGDUVBTXPRY-BLLLJJGKSA-N	245.366	4.505	0	10	BJAE	
C[C@@H](C[C@@H](N)CCC(C)(C)C1CC1)C(C)(C)C	405792584	GXQRJYFNROPIET-JSGCOSHPSA-N	239.447	4.602	0	10	BJAE	
CC(C)(CCC(=O)[C@H]1CCCC1(C)C)C1CC1	405889972	OFRMHMZCGAUIBR-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](NCCCC1CCC1)c1ccccc1	689008956	BTRNTVQPHJGOSO-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCCCC[C@H]1CC	691096517	AXMQWKQLGLXYDX-RRFJBIMHSA-N	225.420	4.514	0	10	BJAE	
O=C(CC1CC=CC1)c1cc2cscc2s1	694327850	KBQOZNNVAQMKDJ-UHFFFAOYSA-N	248.372	4.502	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCc1c(C)cc(C)cc1C	695097218	FPSJZHXQGJLJMT-OAHLLOKOSA-N	247.426	4.526	0	10	BJAE	
CCc1ccc(C(=O)CCC(C)(C)CC)s1	696666463	VKJKLOGFCDZRPB-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@H]1CCCC(C)(C)CC1	697578449	FDMXVBSMEMNVRD-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](NCCCC1CCC1)c1cccc(C)c1	701564545	VDSWVQIFBDDEHP-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CC1(C)CC(CN[C@@H]2CCCC23CCCCC3)C1	702002218	RMUHDGFNNNLRTK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC[C@@]1(N)CCCCC12CCCC2	704472347	FZENRBSTZXWDTF-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)C[C@H](C)c2ccccc21	704518088	YBQDCXROLQMPKK-SUMWQHHRSA-N	245.410	4.564	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@H]1CCCC[C@@H]1C	704931401	BQELPEZCJAHRMM-GWCFXTLKSA-N	238.758	4.606	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C1CCCCCC1	704960719	YYGILFGPDPFKEZ-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@](N)(CC1CCC(C)CC1)C1CCC1	707859101	NCSCVMTXLFPFTL-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@@H](C)c1ccccc1	709116705	GRTPKOKCGAQPIV-KGLIPLIRSA-N	246.394	4.822	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(N)C[C@H](C)C[C@@H](C)C1	709142658	JSWXVKITYPJHGU-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(N)CC(C)(C)C	709200303	IWONGRZTKGQTCH-IUODEOHRSA-N	227.436	4.602	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H](C2)C1	711046750	HIPGEAAZOXZOPY-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C[C@H](N)CCCC(C)(C)C)C(C)(C)C	711111703	KBKJQNOGSSQPSD-ZIAGYGMSSA-N	241.463	4.993	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H]1CCCC1(C)C	713134248	PLWUPZRCWRBIIV-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@H](N)c1cccc(C(C)(C)C)c1	713712518	VLLOJECPKDNZLM-WLMCBFPDSA-N	243.394	4.506	0	10	BJAE	
O=C(CCC1CCC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714498120	FYLGHTNKLHNIAU-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@]1(C)CNc1cccc2ccsc12	717009996	GLZVKEUWLCKLEQ-OAHLLOKOSA-N	245.391	4.749	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1ccc([C@H]2C[C@@H]2C)o1	718683719	DIRMFESLUKOLNO-IHRRRGAJSA-N	248.366	4.573	0	10	BJAE	
CCC(C)(CC)[C@H](CCCC(C)(C)C)NC	721772959	OAQJARCUTXCEDF-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC3(CC3)C2)cc1Cl	723602540	IMNLPWZTDJABCV-ZDUSSCGKSA-N	249.785	4.783	0	10	BJAE	
CC[C@@H](N[C@@H](C1CCCC1)C1CC1)C1CCCC1	723963604	IJMUFBRATYHQQW-SJORKVTESA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCC[C@@H](C)CC1	1308774688	SLJCGRFPFATKOX-OWCLPIDISA-N	237.431	4.680	0	10	BJAE	
C=C/C=C\CCS[C@H](C)c1ccc(OC)cc1	1458922738	QLXDJRLNCRABGW-CFHLNLSMSA-N	248.391	4.622	0	10	BJAE	
C[C@@H]1CC[C@H](Sc2ccccc2Cl)C1	1613256957	FXUKXOVAJRHBEU-ZJUUUORDSA-N	226.772	4.621	0	10	BJAE	
Cc1cccc([C@H](C)SCc2ccccc2)c1	1640816158	CYMNSUCEFMISRO-AWEZNQCLSA-N	242.387	4.989	0	10	BJAE	
C1CCC(CCN2CCC[C@@H]2CC2CCCC2)C1	1654062058	CMHWPWDGXBLFDS-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC(CC)CC)NC	1900695179	FLZDJVPPHZFVQS-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(-c2nc(CCC3CC3)cs2)cs1	1901907686	HJXNOJBSMXCZND-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
C=CC=CCCc1cccc2ccsc12	1911784255	RVAQDNDJOITFKR-UHFFFAOYSA-N	214.333	4.576	0	10	BJAE	
CCCNCCC=CC[C@H](C)C1CCCCC1	1911928879	YJLQYWBNHUCZOS-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CC1(CCNC2CC3(CCCCC3)C2)CCCC1	1912709462	YKYVQISMGXXLOZ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
N[C@@H]1CCCCCCCC[C@@H]1C[C@H]1C=CCCC1	1913384741	QWDUCCUNBUTRNW-GVDBMIGSSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CCC2CCCCC2)[C@H](C)C1	1916103348	FDCMCJSVQPZKEP-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](O)(CC)[C@@H]1CCCC[C@H]1CC	1919526527	SOYIOFVUZCICIR-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	1921540799	IOLQSKYGYFWGBB-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C[C@@H](N)CC[C@@H]1CC1(C)C)C(C)(C)C	1921578032	IUHLRRUTEFHEDG-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@@H](C)C1CCCC1	1924077157	ZCCDLSFLYMKLEP-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)CC1(C)CCCCC1	1940377689	HBVGHLJXAMAIOU-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)C[C@H](C)CC	1940884638	YUEDJNILDOSSDQ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCCCC1(C)CC1	1940885422	YZYWRANQDIZMQR-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC(=C(C)c2ccc(N)cc2)C1	1940969208	XTVBSEULBUGTGZ-CYBMUJFWSA-N	229.367	4.643	0	10	BJAE	
Cc1cc(Cl)cc2c3c([nH]c12)C(C)(C)CCC3	1941017337	YIPUEIZTSORPIF-UHFFFAOYSA-N	247.769	4.744	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)CC(C)(C)C(C)C	1941244979	CCVMTKCIWZHQDZ-HUUCEWRRSA-N	242.447	4.738	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CCCC1(C)CC1)NC	1941261529	SMDCVUFBSMKEJX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@@H](O)CCCCCC2CC2)CC1	1941576363	SUHAJKDMQIIVLU-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)CCCC1CC1	1941584644	PXXGZRDLMYHAAX-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C1(C)CC(C)(C)C1	1941977561	URZSGZWQIJMLEJ-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)CCC1CCCCC1	1942652232	FROUREHGFUQNCB-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@H]1CCC[C@H]1C	1944843827	VAUXMZSQIIRHLG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc(C)c(C)c1	1947457329	FKTOSRWTXUUMAQ-GDBMZVCRSA-N	231.383	4.684	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(O)C[C@H](C)CC(C)(C)C	1947514953	JIPUHHDDSCOAMG-IIAWOOMASA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2C=CCC2)CC1	1947558377	JAZMSFHOMUGIKZ-SHARSMKWSA-N	234.383	4.518	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC23CCC3)cc1	1947879886	UAXCGIBGUIGMSB-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
CCC1(C)CC(N[C@@H]2CCCC(C)(C)CC2)C1	1948392094	KRIDJEZKSDTRGR-VQCLRJIVSA-N	237.431	4.514	0	10	BJAE	
CC(C)C1([C@H](N)CCC2CCCCC2)CCC1	1948933443	XBQTYJOWLBZJEX-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1cc(C)ccc1C	1948945939	MALLYDHNXCAGCC-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H](C)C2CC2)CC1	1949072236	NFEJAMLUUVRFCH-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC2CCCCC2)C[C@H]1O	1949681931	XIXZWBLVJTVJAJ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@H](O)[C@H]1CCC[C@@H](C)CC1)C(C)(C)C	1950907637	GIZUPQMGUQZTES-QPSCCSFWSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](NCC)[C@@H]1CCCC(C)(C)CC1	1950915297	ZBTAWFVYOXOTMM-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](NC[C@@H]1CCCC(C)(C)CC1)C(C)C	1950923026	QXIGOWSKZKJAHP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC=CC[C@@H](CCC)c1ccccc1OC	1951308197	BHNSOBVUVUUYHM-CQSZACIVSA-N	232.367	4.935	0	10	BJAE	
CCC=C[C@@H](C)Cc1ccc(OC)c(C(C)C)c1	1951308230	BYVQMRJENUFKJS-CQSZACIVSA-N	246.394	4.963	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1cc(Cl)ccc1Cl	1959209532	OROANNWIKBIAEO-KCJUWKMLSA-N	244.165	4.594	0	10	BJAE	
CC(C)CCCN(C)CC[C@H]1CCC[C@@H](C)C1	1962921495	LGWOKXBWPGJCLB-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CC[C@H](CN[C@@H]2CCCC23CCCC3)C1	1967717025	RCOUTFLOQKZXRJ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2C[C@H]2C2CCCC2)CC1	1967829171	YUBKTJPKHDCHCR-VUROTCPHSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(Nc2cccc(C3(C)CC3)c2)CC1	1967831874	FHVHSCYKTWRXIT-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
CC(C)C(COc1ccccc1Cl)C(C)C	1968271632	UCZGTVCAEFKXHO-UHFFFAOYSA-N	240.774	4.647	0	10	BJAE	
Clc1ccccc1-c1nc(C2CCC2)cs1	1968643347	BTPJEKYLUNMLTA-UHFFFAOYSA-N	249.766	4.731	0	10	BJAE	
CC[C@H](N[C@H](C)CCC1CC1)C1CCCCC1	1969167368	REXBMUVXGVUHSY-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNc2ccccc2C2CC2)C1	1969416601	JSJATPUUEXIYSO-ZIAGYGMSSA-N	243.394	4.802	0	10	BJAE	
C[C@@H](CN(C)CCC1CCCC1)CC(C)(C)C	1970716289	HQVIILUYFLRPLU-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)C12CCC(CC1)C2	1995985478	JTPKQYIVLJTCFW-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc(NCC[C@H](C)C(F)F)c1	1996080937	NITTVWNWLWDRHY-NSHDSACASA-N	241.325	4.513	0	10	BJAE	
CCC[C@]1(C[C@H]2CC[C@@H](C)C2)CCCCCN1	1996259457	HLSSTFCXIXPPFC-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@H](O)[C@]1(C)CC=CCC1)CC(C)(C)C	1997585379	FKLVJGLRNHDPBM-IJEWVQPXSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@@H](CCC)C1CC(C)(C)C(C)(C)C1	1997766589	CDNWVXLXIUMVNI-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCC1(O)CC(C)(C)C(C)(C)C1	1997807856	GIKUEBNKTOGPSK-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)CCC1CCCCC1	1998748476	JGYOQCTXOJPFEN-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)CNC[C@@H]1CCC=CCCC1	1999996927	TYVGOWKMQDPIHN-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](CC)C(=O)[C@@H]1CCCC(C)(C)C1	2000103957	BJEXJVLPBINKCC-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@@H]1CCC[C@H](C)C1	2000500906	ZVARUQYMQMYOCD-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CCCC1CCC1)CNC1CC1	2000519676	YGMBQKRJNYKTNW-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](O)CCC2CCCCC2)CC1	2003104397	USOHGIAMQRFTQZ-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CCC1(O)CCCCCCCC1	2003121895	SHUQMJWUVBTUBL-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCCCC[C@H]1C	2004710770	CMPVSKUWZUVCSP-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)CNc1cc(F)ccc1F	2004711260	HWHKCGGLYDTJLU-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
CC[C@H]1C[C@H](CCCCCC(C)C)C[C@H](O)C1	2006645310	OMXIIZQYTRILMT-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CC1=C(C)[C@@](O)(C[C@@H](C)CC(C)(C)C)CCC1	2006973081	TYYKXZJPVIEMIT-LRDDRELGSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@]1(O)CCC[C@H](CC(C)C)C1	2009593241	MSZHUBFNLRMQJC-SGFLJFKBSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CCCCC[C@H]2CC	2009769390	LONJEAFXSNDKDW-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H]1NCC[C@@]1(CC)C1CCCCC1	2009774728	UHJGHUNBCZRAFZ-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC1CC(=C2CCC2)C1	2011067259	HYDWOOSRZOXMCZ-LBPRGKRZSA-N	234.383	4.518	0	10	BJAE	
C[C@H](C[C@H](N)CCC[C@H]1C[C@@H]1C)CC(C)(C)C	2011583389	IQBZYWCBHYAPKB-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H](C)C1(C)CCCC1	2014337272	COGBKMQJNUGBSV-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC1(CC2(N)CCC(CC)CC2)CCC1	2015641639	HLSYENSSNSXJRA-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CCCCCC1CC1	2016149563	KQEOAGDSFDAQDZ-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H]2CCCS2)cc1	2016795632	HWNOXGIMIXXJNF-SWLSCSKDSA-N	249.423	4.508	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC2(C(C)C)CCC2)C1	2017124228	FPPASXGSWTYJBP-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1(C(C)(C)C)CCC1	2017133166	NZGCXFJUSMTDGF-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@H](NC)C1(C(C)(C)C)CCC1	2017135406	UXWIQOHJCOUGCO-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)C1(C(C)(C)C)CCC1	2017158921	PHXQQGNYJZUEGY-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)CC(F)=C(C)C	2017463408	KHVJBUXHLPPJJB-HNNXBMFYSA-N	243.410	4.834	0	10	BJAE	
C[C@H]1CC[C@H](CNC2CCCCCCC2)CC1	2017650827	MFMMMENRTBAIIP-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)CC2(C)CC2)CC1	2017723865	LQIKGOXIPHBHRM-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCC[C@H](C)C2)CC1	2017730965	MODNMZQAYHZOLC-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@]12CCCC[C@@H]1C2	2018565070	OLVPWJYRWLTETO-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@H]2CCCCCCCC[C@H]2O)CC1	2018969266	DBFLDJFPWZQJDL-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](CCC1(CCC)CC1)CC(C)C	2018987179	IHOKMKXFOPMQBE-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C[C@H](CC1(CC)CC1)NC)C(C)(C)C	2018999727	MFSRIGYZFYJVAL-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)C(CC)CC	2019005055	AGCONMGTMQJSFR-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@@H](C)c1cccs1	2019114745	OHHTYTIHJUHLHQ-STQMWFEESA-N	245.391	4.502	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@](C)(N)C1(C)CCCCC1	2022559249	CUDJLZQKTAAYLS-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCCCC(C)(F)F)CC(C)C	2023300306	USZWOEUXMNNRNL-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2024092108	OCQLFMVJXUGHHZ-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC(C)(C)CC[C@@H]1O	2024150558	XOKAYZOPORCORL-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(C(=O)CC2=CCCCC2)c1Cl	2024364781	CYCXRERJROLSNQ-UHFFFAOYSA-N	248.753	4.722	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1ccc(C)cc1	2026168390	ZTBBNRNVMYMOFZ-CZUORRHYSA-N	233.399	4.601	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC1CC(C)C1)NC	2026170322	OSCHELSQSWDNRN-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(C(=O)CC[C@H]2CC2(C)C)cc1	2027817981	IAUNBQXAZJSLBE-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
Cc1cc2ccccc2n1CCC[C@@H]1CC1(C)C	2027835146	ZGXNPWUAMOVQMH-OAHLLOKOSA-N	241.378	4.776	0	10	BJAE	
CCNC[C@]1(CC2(C)CCCC2)CC=CC[C@@H]1C	2027925232	DDLYAAMZGJDFAT-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCCCCC(=O)c1cccc(C2(C)CC2)c1	2028561114	XCLSKJLNCIOTNH-UHFFFAOYSA-N	244.378	4.891	0	10	BJAE	
N[C@]1(CCCCCC2CC2)CCC12CCCCC2	2028626379	STPCRPNHDPGLEH-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1CC[C@H]2C[C@@H]2CC1	2028968104	PFAMDUGYEPFLGA-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(C(=O)C2(C)CC(C)(C)C2)c1	2029108831	FQRSMFPRJXECMJ-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
N[C@H](CC(C1CC1)C1CC1)C1CCCCCCC1	2032162992	CAHPXSWIMKIODC-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C(C(=O)[C@]23CCCC[C@H]2CCC3)C1(C)C	2034057664	OIGYDPNKCFSPMD-SJCJKPOMSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C[C@@H]1C=CCCC1	2035575281	GLAGSHVMYBTXMD-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)C1(C)CCCCC1	2035592523	NSQLBRBSLLTGBR-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)[C@H]1CCCC1(C)C	2035593164	PJURDNDTIVMXDW-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCOc1ccc(N[C@@H](C)[C@H](C)CC(C)C)cc1	2036386954	ZQMPDZZBEDSPDS-KGLIPLIRSA-N	249.398	4.568	0	10	BJAE	
C=CC=CCCC1(N)CCC(C(C)(C)CC)CC1	2037135857	PNAXZUHDGSTOQR-UHFFFAOYSA-N	249.442	4.833	0	10	BJAE	
N[C@H](C1=CCCCCCC1)[C@H]1CC12CCCCC2	2039079631	SOWFTGZXZKXODL-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)[C@H]2CC23CCCCC3)C1	2039088785	NQBSGJWVCWWZGQ-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cccc(CC(C)C)c1	2040724463	VYMMEFNDRRFMKC-INIZCTEOSA-N	248.410	4.745	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC1C[C@H](C)C[C@@H](C)C1	2043189859	DWJCOMUUGKTLLD-KFWWJZLASA-N	249.442	4.680	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1ccc([C@H]2C[C@@H]2C)o1	2045559810	FAEWACHRESEACM-AVGNSLFASA-N	248.366	4.658	0	10	BJAE	
Cc1oc2ccccc2c1C(=O)[C@@H](C)CC(C)C	2045585510	VDXYTNDQHKDNFZ-NSHDSACASA-N	244.334	4.606	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2045982479	SVKXCEIHNVKMSL-QAETUUGQSA-N	249.442	4.524	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)C[C@@H]1C=CCC1	2045985362	XCRPMPPYBBKOHV-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CC12CCCCC2	2047059124	NQHZULWKPUGHHT-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
NC1([C@@H]2CC[C@H]3C[C@H]3C2)CCCCCCCCC1	2047353172	JLJPPSVJEHVGPV-HRCADAONSA-N	249.442	4.645	0	10	BJAE	
O=C(CC1CCC=CCC1)C[C@H]1CCC12CCC2	2047933009	QNHHEOUASJVWMB-OAHLLOKOSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@H]1CCCC2(CC2)C1	2049855227	IYXLTHHSHDTNDN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CN)(C[C@H]2CCC3(CC3)C2)CC1	2049865996	ODNGVBQNJMPPCF-CKDBGZEDSA-N	249.442	4.502	0	10	BJAE	
Cc1cccc([C@@H](N)CCC2CCC=CCC2)c1	2050465770	VLJNNNDCUOMPEO-KRWDZBQOSA-N	243.394	4.521	0	10	BJAE	
CCCC(CCC)[C@H]1Nc2cc(CC)ccc2O1	2052191838	WFVSNQAEJJLITI-INIZCTEOSA-N	247.382	4.596	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CC2)[C@H]1CCC[C@@H](C)C1	2053325360	IGCPIYINIATLPH-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
O[C@H](C1=CCCCCC1)[C@H]1CCCCC12CCC2	2053364895	FFVIDOFBQKRSTK-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1N1CCCC[C@@H]1C1CCCCC1	2055271134	REMKTUYEDMQUQI-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
CC1(C(=O)C[C@@H]2C=CCCC2)CCC2(CC2)CC1	2056538189	SAWSAXGMXCIRPX-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CCC1CC(C[C@]2(N)CC[C@@H]3CCCC[C@@H]3C2)C1	2056641098	VYCMAZBFLJWJSF-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(C=C2CCCC2)CC1	2056913833	MOENOSGYDAFJPJ-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CC1)C1=CC[C@H](C)CC1	2060921532	MCRGHPJRVOPLHD-GRDNDAEWSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1CC1)C1=CC[C@H](C(C)C)CC1	2061088503	NHQKCDRAYRQCNQ-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@@H](N)C2=CC[C@@H](C(C)(C)C)CC2)C1	2061114399	YBLBVDHOTNMSFF-MIGQKNRLSA-N	249.442	4.523	0	10	BJAE	
O=C(CCC[C@]12CCC[C@H]1C2)CC1CCCCC1	2061598136	WXZJJXWVUJOQQL-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)C[C@]12CCC[C@@H]1C2	2061624007	VXQXYPHOPPSQSB-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)C1CC(=C2CC2)C1	2061730821	MSLFSNPYYFELOL-ZDUSSCGKSA-N	244.378	4.583	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCCCCC23CC3)C[C@H]1C	2062018502	RXMMFLUNUCPRAP-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC2(CC(C[C@H](N)C3(C)CCCC3)C2)C1	2063212224	YRSMTACIBCKYNM-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCC1	2063424383	SRLWDXQDICMAFH-ZSOGYDGISA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)C=CCC(C)(C)C2)CC1	2063636132	NEIPLEALXNQDCE-KRWDZBQOSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CC12CCC(CC1)C2	2065328028	OXNKVVULUVDAMU-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(N)CC12CCC(CC1)CC2	2065336210	YPHPBBPDJOUYLY-MNAZLIDISA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](CC23CCC(CC2)C3)C1	2065340134	SGZAYOUGLZOYSN-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)[C@@H]1CCC1(C)C	2068230764	SEHQYNIIKUVWPO-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CC(C)=C[C@@H](C)C2)CCC1	2069268918	XQUWVEJLNNTSQI-HIFRSBDPSA-N	248.410	4.908	0	10	BJAE	
CCCC1(C[C@@H](N)C2(C3CC3)CCCC2)CCC1	2069339193	GKXUPOUZBVPYOW-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cc(C)c(O)cc1C	2070399151	PGSLDWWMHMTHTO-CQSZACIVSA-N	247.382	4.556	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cnccc1C(C)C	2070412843	GKYSVODBGBUCSV-AWEZNQCLSA-N	246.398	4.752	0	10	BJAE	
Cc1ccc(C)c(C(=O)CC2(C(C)C)CCC2)c1	2071919375	IVFXVBXJSCXPAB-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)CC[C@H]3CC[C@H]2C3)CCC1	2071941210	QWOBDGRMVDFQRW-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CNC[C@@H]2C=CCCCC2)CC1	2072703769	DNKDLAWIIQWINU-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@H]2CCCC23CC3)CC1	2072796590	PVHJBFIBHJBYBC-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CNC2(CC3CCC3)CC2)CC1	2072799611	VHXLYJILBCBHON-KOMQPUFPSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@]23CCCC[C@@H]2C3)CC1	2072875512	OYPXHRYGSBTWRD-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
C1=C(CCN2CCC[C@H]3CCCC[C@@H]32)CCCC1	2075145745	LAILLDYLIFDJDZ-SJORKVTESA-N	247.426	4.532	0	10	BJAE	
CC1CC(CNC(C)(C)C)([C@H]2C=CCCCC2)C1	2075372397	GLHBGXHUEYKPFU-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCNCC[C@@H]2C)CC1	2076323758	WZNBXHURHPJQGP-JYJNAYRXSA-N	249.442	4.539	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1CC[C@H]2C[C@@H]2CC1	2077197212	YDMFRMJGVBQGCB-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)[C@H]1C[C@@H]1CC	2079222504	GRJXKWFAHXXKEG-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2C[C@@H]2C2CC2)cc1	2079330822	AGDDLFGOJHSSHH-YLQAJVPDSA-N	244.378	4.625	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CC1C2(CCC2)C12CCC2	2083541222	IIEUEMVHJDSYPW-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cccc(C(C)(C)C)c1	2083549174	HCDOMVJGFBUBEG-ZDUSSCGKSA-N	246.394	4.993	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](Nc2cccc(C3CC3)c2)C1	2085245085	QNDRNRLMCKQHMS-WMLDXEAASA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C[C@@H]1CC12CC2	2086352574	GEQWTCOPGLANIV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C(=C/c1ccccc1)\C[C@@H]1[C@H]2CCCC[C@H]21	2210662982	VZPLZVCXYDXKBZ-NPSXEAPVSA-N	212.336	4.526	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1CC)CC(C)C	2215248862	LQHCMQQJOFPKJJ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC1([C@](C)(O)CCCCC(F)F)CCCCC1	2216456440	HRLGGHYWYIXTCP-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C)NCC1(C[C@@H](C)C(C)(C)C)CCC1	2217125899	BPBYVXPZAJLEPY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218339923	OIRMNDKEAPFOKE-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CC[C@H]1CCCC2(CC2)C1)C1CCCCC1	2220297948	BLEYJRMJRLMBJK-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCC1CC1)CC1(C)CC2(CCC2)C1	2221026771	ZFPBGSKBZCKFPC-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@]2(C)CC=C(C)CC2)C1	2221598721	CKHMCTZXVSXLRV-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H](C)CC2CCCC2)CC1	2221638899	VPIZHGJDZZBGQI-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2[C@H]3CCCC[C@H]23)CC1	2221642745	IVZBBMMNARBEJF-ZQIUZPCESA-N	246.394	4.518	0	10	BJAE	
CC1=CC[C@@H](CN[C@H](C)CC2CCCCC2)CC1	2221668563	PNDYVTFOKJXBBI-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC2CCCC2)CC12CCC2	2223547305	DOXABCYQDHUHTB-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@]1(CNC2CCC2)CC12CCCC2	2223604864	QZYFNBXTQHIQPU-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
Cc1cc(Cl)c(Cl)c2c(Cl)ccnc12	2241458031	SQDIITIQWWFKPI-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CC(C)=CCCc1c(C)sc(C)c1C	2241547629	QIOIPWWILQKHBT-UHFFFAOYSA-N	208.370	4.572	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2(O)CCCCCC2)C1	2246693236	NKGNBUGYNBKUFR-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](CCC1CC2(CCCC2)C1)NCC	2246812743	GNFRQMVHWWRNRM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C[C@H]1CCCC12CC2	2247612637	VMONWEFRVUQOIR-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CNc1cc(C2CC2)ccc1F	2250113550	FNQIVNIFEZLCDI-NSHDSACASA-N	235.346	4.551	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)C[C@H]1CC[C@H](CC)CC1	2250356160	PNJFYBJGCZIKTP-KLHDSHLOSA-N	240.431	4.780	0	10	BJAE	
Cc1sccc1C(=O)C[C@]12CCCC[C@@H]1CC2	2251154258	OJSHWHYJAIMHFE-IUODEOHRSA-N	248.391	4.600	0	10	BJAE	
CSC[C@H](C)Nc1cccc(C2CCCC2)c1	2251226909	PLQJEBHRWOWPTQ-LBPRGKRZSA-N	249.423	4.508	0	10	BJAE	
CCC[C@H](NCC)[C@@H]1CC(C)(C)CCC1(C)C	2251679967	YYCYSZAUCCVGTC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1ccc2ccsc2c1	2253129636	NGNMNFHZSBDXBG-YPMHNXCESA-N	244.359	4.520	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](CCC(F)F)C(C)C	2253253034	JMJRAXRGEVQCAQ-CHWSQXEVSA-N	249.389	4.615	0	10	BJAE	
CC1(C)CC[C@@H](NCC[C@H]2CCCCC23CC3)C1	2253894328	LBJWGQCQZUYUIT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(CN)CCCC23CC3)C1	2253911767	VIQRIDQNJQUZDP-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCn1ccc2cccc(F)c21	2254511075	FTCJDQAKAUJGDB-JSGCOSHPSA-N	245.341	4.607	0	10	BJAE	
N[C@@H](C[C@@H]1CCC12CCC2)C1CCCCCCC1	2254850527	VMYKNAZHAZBSBW-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@](N)(CC[C@H]1CCCC12CC2)C1CCCCC1	2255270104	PSHOEOBRELEMLO-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)CC[C@@H]1CCCC12CC2	2255285426	XBWMOHRFZMJNKB-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@]12CCC[C@@H]1CC2	2260486209	BQDZVFLJNZFWGY-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@]12CCCC[C@H]1CC2	2260491862	XBTFVTQYKFAWRZ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@]12CCC[C@H]1CC2	2260500284	JNMMVBVMDMSBHW-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCNC[C@@]23CCCC[C@@H]2CC3)CC1	2260559965	YGQYQELEWYBQKA-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CCC[C@H](CC)CNCc1c(C)cc(C)cc1C	2264095996	LVWBEAWHRLBFHV-INIZCTEOSA-N	247.426	4.528	0	10	BJAE	
C[C@H](CC1CCC1)[C@@](C)(N)C1(C)CCCCC1	2298921453	VBKFUYMMLZJUNC-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC(C)(C)CC(F)F	2300507571	JVDQMEFMWYMOLM-CQSZACIVSA-N	249.389	4.602	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)[C@H](C)C1CC1	2300676321	NHSCMKZWMHCZJX-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)C[C@H]1C[C@@H]1C	2300702905	ZEGABERNVXWITF-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)CC1CCCCCC1	2301131494	MORBEFWMGJPBBQ-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@]1(CO)CC1CCCCCC1	2301240959	FARMGSMLEHIWSX-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
Cc1sccc1[C@@H](N)CCCC1=CCCCC1	2302349574	RDWZWVPODVCWDL-HNNXBMFYSA-N	249.423	4.727	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)C2(C)CCCCC2)C1	2302753017	JVUJLPQDXXUIGU-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)CC[C@@H]1CC[C@@H]1C1CC1	2303064573	BTUUUUAOHUONPA-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H](C)c2cccs2)CC1	2303598249	ZXJWKAMWDCBSMF-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CC1(C)CC[C@@H](CCNC2CCCCCC2)C1	2304361270	OUSYGDBBHQHBNC-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](c1nc([C@]23CCC[C@@H]2C3)cs1)C(C)C	2307688463	OOOMRFYMIRQPSS-XUJVJEKNSA-N	249.423	4.734	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)CCC)C(F)(F)CC	2307893249	HQCCQLWDOIJRIN-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC1CC(CC)C1)NC	2307908237	GMLZFMXNGYUTQY-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1	2311892878	PJTDIVFFRGPNSI-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313178437	XJVQURIVORDKCZ-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@H]1CCCCC12CCC2	2313624190	YMEIXLKTXVWAOK-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CCc1cc([C@H](N)[C@H](CC)CC(C)C)ccc1C	2314696423	DMYXHUGKTXKPHZ-NVXWUHKLSA-N	247.426	4.630	0	10	BJAE	
CC(=CC[C@@]1(N)CCC[C@@H]2C[C@@H]21)CCCC(C)C	2316539340	JASUFPVNYCTSRO-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@@H](C)[C@@H](C)C(C)C	2317824267	OZVPBKNEIYLAJG-GRDNDAEWSA-N	247.426	4.738	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@H](C)C1CCC1	2317978075	YUKSZIFXNYLTOP-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1C[C@H](CCCC2=CCCCC2)C[C@H](N)C1	2318582788	HWAOVDDZEWQQGX-BHYGNILZSA-N	249.442	4.811	0	10	BJAE	
C[C@]1(CC[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCCN1	2318822284	JRIIQQWLWHVRRK-MWDXBVQZSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@H]1CCC2(CC2)C1	2318878790	OXRGBXLWIZPHDK-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@@H]1CCC2(CCCC2)C1	2318937284	XVSGXZCFPFYINC-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@@H]2CCC(C)(C)C2)c1	2319141559	SOUWITCQZTUCOD-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cc(F)ccc1C1CC1	2319172983	CVFKRLAYCYZPSU-HNNXBMFYSA-N	249.373	4.529	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)CC23CCC(CC2)C3)C1	2319325773	JHEYTVKRKKQBJG-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CCC[C@H]2C(C)C)CC1	2320230878	KAIOWPBPLZVPAL-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC[C@@H]2CC(C)C)CC1	2320233605	YAVJTQPIPZKSLN-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCc1ccccc1OC[C@H]1CC[C@H]1C(C)(C)C	2320252642	ILIRZQZAHUFUGO-HUUCEWRRSA-N	246.394	4.700	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@](C)(N)CC2CCCC2)CC1	2320337329	MBZNMRVHAQJEPM-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@@H]2CCC[C@@H](C)C2)CC1	2320341682	WTLJXFNTJFCTTN-BASLNEPJSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@](N)(CC2CC2)C2CC2)C1	2320625483	VQKJRZHCPJSBDG-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1O[C@@H](CC1CC1)C1CC1	2320808297	RGUJBFDAXUWQNA-KRWDZBQOSA-N	244.378	4.768	0	10	BJAE	
CCCCCCc1ccc([C@H](C)[C@H](C)CN)cc1	2327903580	RTMZPDUNGBJDSA-HUUCEWRRSA-N	247.426	4.508	0	10	BJAE	
Cc1ccc(/C=C/c2cccc3ccccc23)cn1	3096939	FLRJERDWTATWNQ-VAWYXSNFSA-N	245.325	4.714	0	10	BJAE	
CN[C@@H](c1c(C)c(C)c(C)c(C)c1C)C(C)(C)C	35467649	KAIGFCHPZDVTIB-INIZCTEOSA-N	247.426	4.535	0	10	BJAE	
CN[C@@H](CCC1CCCC1)c1cc(C)ccc1C	35489851	JSLRABMMCZRXAI-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCCCN[C@H](C)CC(C)(C)c1ccccc1	37188817	NHVHKWHFDSMULL-OAHLLOKOSA-N	247.426	4.523	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)C2CCCCC2)c1	37216015	GITDLXGUIYCIRY-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
Cc1ccc([C@@H](C)c2cccc(Cl)c2)cc1	59367652	IQXOFVILRVHRIV-GFCCVEGCSA-N	230.738	4.800	0	10	BJAE	
CCCCCOc1ccc(C=O)cc1[C@H](C)CC	66153227	KUTWQBGEUXLSHL-CYBMUJFWSA-N	248.366	4.582	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)c1sccc1C	69636389	RVOFKBGCSGUQDV-QWHCGFSZSA-N	239.428	4.676	0	10	BJAE	
Cc1ccccc1OCc1cccc2ccccc12	70236513	VQXJIPBKRZUUMB-UHFFFAOYSA-N	248.325	4.727	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccc2c(c1)CCC2	70977568	WSUHSIWVBHYCHH-DYVFJYSZSA-N	243.394	4.556	0	10	BJAE	
CCCC(CCC)N[C@@H](C)C1CCCCC1	71106439	BWIWWXQBJHEUGI-ZDUSSCGKSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCC[C@H](C)C1)C(C)C	80418941	UGSKTKGNWYHIMT-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CCC[C@H](C)C2)CC1	85078794	SYUZYWMMZDFRKC-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CCCCCN[C@H]1CCC[C@H](C(C)(C)C)CC1	86954059	YUYDBBLJCKKIGZ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@@H](N)C1CCC(C(C)(C)C)CC1	87987053	ZPRZPICNBGQIJX-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(NC[C@H]2CCC[C@H](C)C2)cc1C	89604324	AFEFZJXISOKNEF-WFASDCNBSA-N	231.383	4.542	0	10	BJAE	
Cc1cccc(NC2CCC(C(C)C)CC2)c1C	109757805	COKBGJNPIYTGFJ-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
CCCCCC[C@@H](NC)c1coc2ccccc12	122922401	FZFUXKURTFNTKX-OAHLLOKOSA-N	245.366	4.664	0	10	BJAE	
CCCCC[C@](C)(O)c1cc2cc(C)ccc2o1	124511927	DEOJZTYDGVRGBX-INIZCTEOSA-N	246.350	4.529	0	10	BJAE	
CCCCCCC(=O)c1cc2cc(C)ccc2o1	125796820	CLFVWQFYKMPCBN-UHFFFAOYSA-N	244.334	4.894	0	10	BJAE	
CCCCCC[C@](C)(CNCC(C)C)C1CC1	164245599	VCRBPVLEWKDDHA-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C=CC1CCC([C@@H]2CC[C@@H](CCC)OC2)CC1	167574741	KOGGTTQFNUDWMT-QDIHITRGSA-N	236.399	4.574	0	10	BJAE	
CCCC(CCC)[C@H](N)C1CCC(CC)CC1	168789071	SZDOSNMHSBCOCX-BCLQGDPASA-N	239.447	4.747	0	10	BJAE	
C[Si](C)(C)C=C([Si](C)(C)C)[Si](C)(C)C	195755402	CUFNUQSBSOKXJH-UHFFFAOYSA-N	244.603	4.545	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@@H](C)CCC	203425647	JVROYZIZPLFSFN-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](NCC)[C@@H](CC(C)C)c1ccccc1	212496284	RSOCQPRFCQMWKI-IRXDYDNUSA-N	247.426	4.595	0	10	BJAE	
CC(C)CCC[C@@H](C)NC/C=C\c1ccccc1	214933840	BIYVDESZNXGARS-LPDYGMJQSA-N	245.410	4.504	0	10	BJAE	
CCCC[C@@H](CCC)Nc1nccc2occc12	226092925	VNTSYLCACLITQD-GFCCVEGCSA-N	246.354	4.599	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](NCCC2=CCCC2)C1	228582083	MVCKDEHGMDDLKH-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCC1(CNC(CC(C)C)CC(C)C)CCC1	232937015	QESDBGINTRCOBS-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC1(CN[C@H]2CCCC(C)(C)CC2)CCC1	233095978	ZYKIWJVNXAPDFG-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)[C@H]1CNc2ccc(C(C)(C)C)cc21	233283353	RSTZBTDAUOVJFM-IUODEOHRSA-N	245.410	4.929	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CCNc2ccccc21	233908289	JDQAXRLAXGMRBK-ILXRZTDVSA-N	243.394	4.802	0	10	BJAE	
O[C@H](C1=CCCCCCC1)C1CCCCCC1	236533765	HKZNHIOAPVPTKG-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1C[C@H]2CC[C@H]1C2	252907472	WNGIGVFVLASGFE-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC(C)(C)C[C@@H]1C	300141238	RIHPUPXFKCOPCO-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	300282933	FBTBXJGEFJVSSS-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)[C@@H](CCCC(C)(C)C)NCC	300964633	YWRCSVDHUSVGFC-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1ccc(C2CC2)cc1	302286090	KFNNQHVJVNYHRT-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCCNC[C@@H](CCC1CCCCC1)C(C)C	302294928	YHSOMERXAZHIBF-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CCC1CCCC1	305896611	LOKPJEDCIGERRI-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@@H]2/C=C/CCCCC2)C1	305930705	DHBRVBUNEDENRY-HYETYYNRSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C)c1cccc(C2=CCCCCC2)c1	306078768	BMABPHWAKPWYIT-CQSZACIVSA-N	243.394	4.705	0	10	BJAE	
Fc1c(Cl)ccc2scc(C(F)F)c12	306969969	QEKLWQWMWTWXQY-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H](CC)CC(C)C	308092215	IOTQMGBCDIXVEK-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](CC1(C)CCC1)NCCC	309811618	ZFUCVDGXARPSLN-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC(CC)(CCC1CCCC1)CNC1CC1	310068005	IPPQEORGNNIQRP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccccc1C(C)C	310125445	WGVCHDJJZFCRTC-ZDUSSCGKSA-N	232.367	4.819	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)C1(CC)CC1	310167964	SQETXEUPYIHBKO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(C[C@]2(N)CCC[C@H](C)CC2)CC1	310296518	AQGINBUZNXWLSR-LBDPXKHJSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](n2ccc3cc(F)ccc32)C1	310432576	CNGPIVHIDOGTIJ-DOMZBBRYSA-N	245.341	4.922	0	10	BJAE	
C[C@@H]1C[C@@H](CC2CCCCC2)Nc2ccccc21	310831792	YZYLSIPFSOLHEY-HIFRSBDPSA-N	243.394	4.945	0	10	BJAE	
CCCN[C@H](C(C)C)[C@@H](CCC)C1CCCC1	313455413	XHYFKIKFIBPAKR-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@]1(CNC1CC1)C1CCCCCC1	318258033	BYGRJVZUVWYQOD-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(N)CCC(C(C)(C)C)CC1	319649592	OXYBZLISFLZOPR-NOZYUVCASA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC/C=C/c1ccccc1	323665943	MXMZLRAGVMELGA-BPLPYTOXSA-N	246.394	4.667	0	10	BJAE	
CC(C)CC1([C@H](N)CC2(C)CCC2)CCCC1	380091819	VAFXTKARDKFLQB-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc2nc(C(C(C)C)C(C)C)[nH]c2c1C	380803831	PHRNGFRYFFVFJZ-UHFFFAOYSA-N	244.382	4.575	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CCC1CCCCC1	380870491	LEBUJUXIGWUQKD-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
C/C(=C/CCCCC(C)C)C[C@@H]1CCCCN1	383113474	APPGZUNXMNGYQL-IZNAZMGOSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCCC[C@@H]1C[C@H](C)CC[C@H]1CN	383214262	QKAGOBUPPDXQKI-OAGGEKHMSA-N	239.447	4.604	0	10	BJAE	
CCN[C@H](CCC1CCCC1)CC1(C)CCC1	383522545	OEYBMFHQBABRQI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCNCC[C@@H](C)C[C@@H](C)C1CCCCC1	383947380	GDYDGGIQYMEKHI-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1CCCC[C@H]1C	384527709	YTFQRUQHNGMNCX-QXSJWSMHSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccc(F)cc1Cl	384670563	XVVLHYFTIAJHAI-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C1CCCCCCC1	385108780	CNCGSTNLQAPYOA-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)c1ccc(C)o1	386327701	JMUHMVJFGHWROE-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCCC(C)C)CC1	393303915	CMWKNHOJJFDOPN-HDJSIYSDSA-N	224.388	4.598	0	10	BJAE	
CCC1CCC([C@@H](O)C(CC)(CC)CC)CC1	395119824	JORZKWUNPZPLNK-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CC[C@](O)(CCCCCC(C)C)[C@@H]1CC1(C)C	397592924	KJGLNAHHVIZUER-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCc1ccc([C@H](C)NCCC=C(C)C)cc1	397769676	OXGSCYMQOITPKX-HNNXBMFYSA-N	245.410	4.646	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H](C)C1CCC1	398886843	CFEAGTJBTYHBAJ-CQSZACIVSA-N	246.394	4.933	0	10	BJAE	
CCNCC1(C[C@@H]2CC=CCC2)CCC(C)CC1	402184212	FDCPLRVLQYYSOY-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)c1csc(C)c1	686304868	HQLBJDOBYGPCDI-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCCC1(CNc2cc(C)cc(C)c2)CCC1	687523501	AKOGFRRMUKLRKB-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CC(C)(C)c1cccc([C@@H](O)CCC2CCC2)c1	691726454	XZOSOHIFBXDANU-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)C1CC(C)C1	691964333	SGMVRBXYPIUXMH-QWFMPGPPSA-N	245.410	4.507	0	10	BJAE	
CCN[C@H](CC(C)C)[C@H]1CCCCC[C@@H]1CC	695101152	MXBHPMVEPCMCKA-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCC1CCC2(CC1)CC2	695737740	KPXFWHPUBFGLRH-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1cccc(C)c1C	696576227	YERBPEXWBSLAPF-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CCC(C)(C)CCNc1cc(F)cc(Cl)c1	696755823	FXSLVVPNKYFCDX-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCC(C)(C)CCNc1ccc(F)c(Cl)c1	696757421	MBHQWKKMJOBCTL-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)CCC(C)(C)CC	696809123	UAICSDZPODSAJH-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)C1(C(C)C)CC1	697627301	RNDVNOQEXZZNMY-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc([C@@H](NC)[C@@H](C)CC(C)(C)C)cc1	704727546	IFUZUFDXYPEVIZ-BBRMVZONSA-N	247.426	4.582	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@]23CCCC[C@@H]2C3)cc1F	709129317	MYOVBPVRALIGNO-XJKCOSOUSA-N	247.357	4.515	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C[C@@H](C)CC(C)(C)C)C1	709188089	NCNMEDIOZKQMGA-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@H](C)C(C)(C)C)C(C)(C)C	711193384	RQCYCVXTHPTBOJ-BFHYXJOUSA-N	241.463	4.848	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC(C)(C)C(C)C)CC1	713147222	GDQQXVMMQFKURB-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CC(C)(C)C(C)C)c1cccc(C)c1C	713197090	CDPYJPVISPQEAB-MRXNPFEDSA-N	247.426	4.636	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC(C)C)CC[C@@H](C)C1	713335169	AVMCVBHSNJKVBN-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C/C=C/C[C@@H](C)c1ccc(OC(C)C)cc1	714537633	GMVCOWZTRNJBSD-URWSZGRFSA-N	218.340	4.544	0	10	BJAE	
CCSc1cccc(NCCC(C)=C(C)C)c1	718505766	KPMOBPKWIFEVIA-UHFFFAOYSA-N	249.423	4.957	0	10	BJAE	
c1cc(NCCCCC2CC2)cc(C2CCC2)c1	720117201	NNSJKTOXZARBST-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CCC1(CC)NCC[C@H]1CCC1CCCCC1	721795568	XYTOIMLHRVPXCQ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCCN(C[C@@H]1CCC[C@H](C)C1)C(C)C	1308571547	VFEJIFJLHXXJFR-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H](C)CSCc1cc2ccccc2o1	1473004566	AZTMPVYAAOICDB-LLVKDONJSA-N	234.364	4.712	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)CCC(CC)CC	1900701080	KPJOJTWDVYLZGR-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C(=O)CCC(CC)CC)C(C)C	1900705069	UFKCNAHDSNGJFC-CQSZACIVSA-N	226.404	4.844	0	10	BJAE	
CCC(CC)CCN(C)[C@@H](C)c1cccs1	1900711316	CHNQICUGJXHOOA-LBPRGKRZSA-N	239.428	4.567	0	10	BJAE	
CCC(N)(CC)CC=C(C)CCCC(C)C	1900855757	RPTNLSAKHPKXKK-UHFFFAOYSA-N	225.420	4.667	0	10	BJAE	
CC(C)CCCc1ccccc1C1(C)CC1	1901885292	SWHRDIBAIRNZRP-UHFFFAOYSA-N	216.368	4.717	0	10	BJAE	
CC(C)=C(C)CCC(=O)CCC[C@H]1C[C@H]1C	1902193284	MYJZQKFNABUEDO-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@H](C)c1cccs1	1905304926	MPQWALRBJOAAHT-CHWSQXEVSA-N	239.428	4.567	0	10	BJAE	
CCCNCCC=C(C)CCC(C)(C)CC	1911613652	BYKSWSIGYINROL-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
Cc1cn(CCC=Cc2ccccc2)c(C)c1C	1911936569	IDVRDYSXXIVGLD-UHFFFAOYSA-N	239.362	4.517	0	10	BJAE	
Cc1ccc(NC2CC3(CCCC3)C2)c(Cl)c1	1912721419	WJESLXWSJNYJOC-UHFFFAOYSA-N	249.785	4.783	0	10	BJAE	
C[C@@H]1[C@@H](N[C@@H]2CCC3(CCCCC3)C2)CC[C@H]1C	1915863939	BEEMTRNEBJJZOF-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@@H]1CCC2(CCCCC2)C1)[C@@H]1C[C@H]1C	1915867755	HGHLVUWDXDCRHL-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@H](C)C(C)(C)C	1919948618	OYICAEWJCHGREC-YDHLFZDLSA-N	228.420	4.636	0	10	BJAE	
CCCCCC[C@](C)(O)Cc1cc(C)ccc1C	1919975148	RVVLEZPTZLVEGS-KRWDZBQOSA-N	248.410	4.567	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2C=CCCCC2)C1	1925820760	RHXYIIOTZHPBQY-RBSFLKMASA-N	206.373	4.949	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1CCCC[C@@H]1C	1925893654	VENSXDCWOYSOJR-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCOc1cc(C)ccc1NCCC(CC)CC	1926182877	ALPGKJGUDVVYKP-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
Cc1cc(N[C@@H](C)[C@@H](C)CC(C)C)cs1	1933232813	GZBZLUJFDXHPKK-JQWIXIFHSA-N	225.401	4.539	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CCCCCC1CC1	1936421359	TXWYRHODBLWJBA-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@H](C)CCC(C)C	1937160871	AFQUXZWSGWVEGI-QLFBSQMISA-N	228.420	4.636	0	10	BJAE	
CCC[C@@H](CC[C@H](C)CCC(C)C)NCC	1937175244	WBODOFBJTFLPNM-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Cc1csc(C(=O)C2CCCCCCC2)c1	1939453159	QTWOQLDUFIZBLT-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H](C)C2CC2)cc1	1940723005	NKMABWZNBJUOQJ-STQMWFEESA-N	232.367	4.625	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@@H]1CCCC1(C)C	1940879364	YVWPLJIKGFVVDF-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](O)CC1CCCCC1	1941244287	UZIMVKWLVHUMSF-CVEARBPZSA-N	240.431	4.636	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CC[C@@H]2C[C@H]2CC1	1941878839	STBCFZVYFICJLG-HUUCEWRRSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCCC(=O)c1ccc(C2CC2)cc1	1941962482	VAIUYVOWLRPGQD-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)CCC1CCCCC1	1942653218	OIVOPVAJYGGBIN-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@H]1C)CC(C)(C)C	1944844784	CBLUANPOLBUIRS-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@@H]1CCC[C@H]1C	1944850265	STNKMBKOENKCKZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H](O)C1CCCCCCC1	1944871384	YUTXLLKTXJMRDU-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C)NC1C[C@@H]2CCCC[C@H]2C1	1946283901	HNXFKRHXBWAJLA-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCCC1(F)F	1947289905	PLEAYLYGXLNSBW-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCN[C@H](CC)CC1CCC(C(C)(C)C)CC1	1947362618	VUJOHTKKVZBHHX-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@@H]1CCC[C@@H](C)C1	1947470664	VFWALWCXNHLVQA-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(O)[C@@H](C)CC(C)C)C1	1948334403	YMQOUWCCZQABFB-XUWVNRHRSA-N	240.431	4.636	0	10	BJAE	
CCC1(C)CC([C@H](O)CCC2CCCCC2)C1	1948405102	IMICQGQJJQMNHR-HWOWSKLDSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC1CCC=CCC1)NCC	1948430480	PYZYXDWROCZFER-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CCCC2CCC2)C1	1949013607	OGKRMLLEYVPARA-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCCC1(N)CCC2(CCCC2)CC1	1949024681	NHPMOHSQSUIHAM-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2C[C@H]2CC)CC1	1949026547	LCEBIDHTWFGKPM-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@H]1CCC(C)(C)C1)C(C)C	1949501830	PTJHSKRFDVFGDL-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@H]1CCC(C)(C)[C@@H](NCCC)C1	1949654055	PWDUVIZZQSNJCS-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC(C[C@H](O)CC2(C)CCCCC2)C1	1949743191	XZSOXLWZTLBOEC-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC(F)(F)CCC[C@H](O)CC1CCCCC1	1949927625	YOTQAONVRGDSHY-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC1(C)CC(CO)(CCCC2CCCCC2)C1	1950373967	WOOOLQXTXRCFRU-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CC(C)=CCC[C@H](O)[C@H]1CCCC(C)(C)CC1	1950915363	ZVLTXTXCPFQMIC-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@@]1(CNC)CCC[C@@H](C)CC1	1950929163	FCXRYZKLJIJFDJ-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
FC(F)c1csc(C[C@H]2C=CCCC2)c1	1958962048	XJJCEQQLKSSXKV-VIFPVBQESA-N	228.307	4.585	0	10	BJAE	
CC(C)C1CC(C[C@@H]2C=CCCCC2)C1	1960633310	FFYUVLOUEMDTPP-WLYUNCDWSA-N	206.373	4.805	0	10	BJAE	
CC(C)=CCC[C@H](C)NC1C[C@@H]2CCCC[C@H]2C1	1967698740	FVTVECUBOIYUOT-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCC[C@H](C)C2)cc1	1968259460	INKRUKMQJRQPBQ-LSDHHAIUSA-N	231.383	4.623	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CC[C@H]3CC[C@H]2C3)cc1	1968293813	LWJZLBOEHJHZHM-UKPHBRMFSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCC2(CCC2)C1	1968342307	WZBFDFJKHABZNI-CYBMUJFWSA-N	249.785	4.783	0	10	BJAE	
Cc1cccc(NC[C@H]2CCCC3(CC3)C2)c1F	1969468904	SXUWWVJSACPEQM-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CCC(CC)CN1CCCCC12CCCCC2	1972913465	YLYNWHIMQGEOQO-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CCC1CCC1	1976930054	ZNHGEEUFUFJECX-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@](C)(CC=CCl)CNC(C)(C)C	1978656414	VHDXDOWAVPOOMW-CQSZACIVSA-N	245.838	4.714	0	10	BJAE	
CCC(C)(CC)C[C@@H](O)c1cccc(Cl)c1	1980681650	OPQCPNWYYRVVTA-CYBMUJFWSA-N	240.774	4.590	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC(C(C)C)C(C)C	1988296675	YOVXZWIYBLVLBQ-CYBMUJFWSA-N	226.404	4.556	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C)CC(C)=O)CC1	1989839468	QJPQLNGWDNONRK-BPLDGKMQSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1(CC)CC1	1990600388	VEVMTWXSEGWMEW-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CN[C@@H](CC=C(C)C)CCCCCC(C)C	1993596381	VSZZNSNRYCKHMJ-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
Cc1ccc(-c2cc(=S)c(C)c[nH]2)cc1Cl	1993674267	YSTKJOGHWMMLCL-UHFFFAOYSA-N	249.766	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC[C@@H](C)C1=O	1993969377	MHNXYLBAJADHSM-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H]1C(=O)CCC[C@@H]1C	1994328714	WOZTYQRBHSLKJE-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCC1(N[C@@H]2CC[C@H](C)[C@@H](C)C2)CCCCC1	1995691913	UZPNRHDVBJVBEB-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)C1(C)CCCCC1	1995974498	FHVGDHSBIRRBGZ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc(C2CC2)cc1	1996617574	SYULEWYDDCKDHL-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCCCc1ccc(NC[Si](C)(C)C)cc1	1997764488	BATUOBZCEXLLKP-UHFFFAOYSA-N	249.474	4.709	0	10	BJAE	
CCCCC[C@@H](C)NCC1CC(C(C)(C)C)C1	1998237598	XONPTOOBASRBFS-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)C[C@H]1CCC=CCCC1	1999984699	BIDNZMXLVLTJLZ-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CC1(C)CCCC1	2000294749	YECBLAKQLNZRGO-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(C2CC(CC)C2)CC1	2002305778	ICGZDLQMOIBELM-BHDPWAOGSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)CC2CCCCC2)C1	2003013333	GTSWDJKDNKUSTO-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@H]1CCCC2(CC2)C1	2003220292	GTFQMWBCUWFYSP-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@H](CC)[C@H]1C	2004713112	WNMPCVALTXHLOE-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC[C@@H]2CC[C@H]21	2004796459	WIDSDVAHRHIRNS-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC=C[C@@](O)(CCCCCC(C)C)C1	2006652232	JZMIBJBXHOHCPT-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@H]1CCCCCCCCC1=O	2006729515	HYPYBQDDPGIZHP-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1(C2CC2)CCCC1	2008471850	YPHUGMSWZZERCU-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCC(C)(C)C)[C@H]1CC	2009248531	JDLAWEZMUNECLI-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](C(C)(C)C)CCC1=O	2009575374	ZFYDTEGKUPFNMO-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
CCCCC1CC(NCCCCCC2CC2)C1	2009782533	CHBMWKPKGMHKFF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@@H]2CC(C)C)CCC1	2015642359	PQHAECDLGPYSMN-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@]2(N)CCCC[C@@H]2CC)CCC1	2015642590	RWBQZDPUOLINEG-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[C@@]1(C)C[C@H]1C	2016467181	JRUIBRNCXRVFJH-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(N)CC2CC2)CC1	2017730417	HFDAENGUKLQCCW-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCNCC[C@@H](C)CC1CCC(CC)CC1	2017734256	QLKBZNDYVVXSMZ-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)c1cccc2ccsc12	2017792671	CGNCROKPAGRSIO-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CC(C)C[C@@H](C)N(C)[C@H](C)C1(C)CCCCC1	2019304170	RTEGCNSSTVBSMB-HUUCEWRRSA-N	239.447	4.712	0	10	BJAE	
CCCCN(CCCC)C[C@H]1CC[C@H](C)CC1	2019450349	JONDYCLHVPEJQD-WKILWMFISA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](N[C@H]1C=CCCCC1)c1cccs1	2019497965	KWUNWMQUELVTGV-KBPBESRZSA-N	249.423	4.678	0	10	BJAE	
CC1(C)CCC[C@H](CCCCCC2CC2)[C@H]1N	2020361353	OUFHVASVYAFLHS-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]1[C@H](CC=C(C)C)CCCC1(C)C	2020365792	YQFUCIYICLBTGT-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)N[C@H]1C[C@@H]1C1CCCCC1	2022436236	SJHGORVUCPKJLD-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@H]1C[C@@H]1CCC	2022501461	IMRSERYHEWCYTM-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1C[C@H]1CC1(N)CCC(C)(CC)CC1	2022564003	UIVPQSHCMFUZOF-FXQLRMTLSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@@H]1CCC[C@@H](C)[C@@H]1NCCC	2024001569	SIBWDVLDAHBTGH-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N[C@H](C)CCC(C)(C)C)C1	2025579148	TWYUGWYZOGAATG-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCC(F)(F)CC	2026082900	VVJLTDRVHXIJHT-GFCCVEGCSA-N	248.357	4.988	0	10	BJAE	
CN(CC1(C)CCCC1)[C@H]1CCC12CCCCC2	2027297975	VRTGIWSCYHCDIP-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)c1cccc(C)c1C	2027732560	OXSUXKRZHGZTBQ-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCc1ccccc1N[C@H]1[C@@H](C)[C@H](C)CC[C@H]1C	2027793410	MHSQJIBBLMQKFJ-VWPFQQQWSA-N	245.410	4.732	0	10	BJAE	
CCCC[C@H](NCCC)c1cccc(C2CC2)c1	2028550277	VACDUZCQOUSNBC-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cccc(C2(C)CC2)c1	2028556864	IDYUXBOJKIPTAS-BBRMVZONSA-N	245.410	4.564	0	10	BJAE	
CCNC[C@H]1CCCC[C@H]1CC1CCC=CCC1	2028875219	FVKCQSYZMZIXHG-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CCCc1ccc(NCC2CCC=CCC2)cc1	2028901220	XWXVCFHMNUKOMV-UHFFFAOYSA-N	243.394	4.797	0	10	BJAE	
CN[C@@H](c1cc(C)c(C)cc1C)C(C)(C)C(C)C	2032344797	VPEDROKXXGCGHT-INIZCTEOSA-N	247.426	4.555	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC1(C)C)C[C@H]1CC=CCC1	2032425690	AFMYYHLCOUKEBO-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(CC)c(NC[C@H]2CCC[C@@H]2C)c1	2032513526	HZCOVTZNDVJCHW-XJKSGUPXSA-N	245.410	4.660	0	10	BJAE	
CC(C)(C=C(CN)C1CCCCC1)C1CCCC1	2034042260	HHHQHNUFDBGHAR-UHFFFAOYSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H]1CC[C@](CNC(C)C)(C[C@H]2C=CCC2)C1	2035587787	FFLNIDLAFUBKSU-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@@H]3CC[C@@H]32)CCCC1	2035884814	CDWWYPJOECGRKA-BHYGNILZSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@@H]1CC12CCCC2	2036096521	LCHJPKSJXRLCKO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CCNC[C@H]2CC23CCCC3)CC1	2036127773	JSGFQHQUZMIEIJ-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)C1CC2(CC2)C1	2036190322	OYTZGZOMGTWZSD-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC(C2CC2)C2CC2)CC1	2037189547	RZJIWJLVFRQSHP-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CCC2(CC2)C1	2038570992	GWOOQWVMIGCHNF-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCC2(CC2)C1)C1CCCCC1	2038571208	INSRTNQGQFIIOL-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@H](N)[C@@H]2C(C)=CCC[C@H]2C)CC1	2039436968	QWFYEJDZBOQESP-LKRQVQDUSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](C1CC2(CCC2)C1)C1(CC)CCC1	2039724834	PVXTUWDVEHVTFJ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@]12CCCC[C@@H]1C2)C1(C)CCCCC1	2039861344	DPHZZOJQAPZLCK-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](N[C@@H]2CCCC3(CCC3)C2)CCCCC1	2041290303	POJFNMOPSIYFQE-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
C[C@H]1C[C@H]1c1ccc(C(=O)CCCC2(C)CC2)o1	2045564185	YPAPVKFLSIIXCD-NWDGAFQWSA-N	246.350	4.556	0	10	BJAE	
CCCN[C@H](CCCC1CC1)CC1CC2(CC2)C1	2045812917	LHIYYLFDYDKBPU-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CN(C[C@H]1C=CCCC1)[C@H]1CCCC(C)(C)CC1	2046561678	IZDYXFWVCKHDCZ-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2CCC23CCC3)C1	2047932916	PYKIDLSZEPYVTE-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C[C@H]2CCC23CCC3)C1	2047935119	HABRWCXZZOQTAN-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CC1=CCCCC1)C[C@H]1CCCC2(CC2)C1	2049850652	ZJKSPPCMGBAAAZ-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CCCC1([C@@H](C[C@H]2CCC3(CC3)C2)NC)CCC1	2049852583	CFVJDNDLIUMVFC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@@H]1CCCC2(CC2)C1)c1cccc(N)c1	2049860198	RVCFNBUQISJGSM-KGLIPLIRSA-N	243.394	4.733	0	10	BJAE	
CCCN[C@H](C1CC(CC)C1)[C@@]1(C)C=CCCC1	2049999476	DCQVGYQBKGPQEM-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@]1(C)C=CCC1	2050009252	XRVWWZNVIYDEMX-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C1CC2(CCCCC2)C1	2051401018	KZTYKHUECQALRY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)[C@H]1CCCCC12CCC2	2053356624	FRJBPNSNIFNXCY-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CC(C)NC[C@@]1(CC2CCC2)CCCCC12CC2	2053360268	UPGGGTAHJIMRIW-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
F[C@H]1CCCC[C@H]1Nc1cccc2ccccc12	2055158826	IGVGERHDWWEYMJ-GOEBONIOSA-N	243.325	4.532	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CCCC(C)(C)CC2)CCC1	2055552731	RVNXLSZGJIDDIT-JKSUJKDBSA-N	249.442	4.824	0	10	BJAE	
CC(C)c1ccc([C@](C)(O)C=C2CCCC2)cc1	2056856520	TWLQSPRRPMEYKF-QGZVFWFLSA-N	244.378	4.518	0	10	BJAE	
CC(C)(C)c1cccc([C@H](O)C=C2CCCC2)c1	2056862300	HKLIITMEQFTRJN-MRXNPFEDSA-N	244.378	4.518	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CCC[C@@H]3C[C@H]23)CCCCC1	2057361426	QBVZAYFMVYJYGC-SQWLQELKSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1C[C@H]2CC[C@H]1C2	2059225509	NXEOFULVQATUPL-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CC[C@@H](CC)C1	2060925130	IXLDQSFTMSSXIQ-XOSAIJSUSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@H]1CC(C)(C)CC[C@H]1CNC(C)C	2061563545	PVCMFIBTKFRXNY-HOTGVXAUSA-N	249.442	4.548	0	10	BJAE	
CC1CCC(C)(C(=O)CC2CC(=C3CC3)C2)CC1	2061700763	ZFQUSMZDZUSUIC-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC(C)(C)C1CC(N[C@H]2CCCCCC23CC3)C1	2062020640	OROMDZPQZQYMSL-NRXISQOPSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC1C[C@H]2CCC[C@@H]2C1	2063525302	TXXKMDGGXGIJDL-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1=CCCCC1)CC1C[C@@H]2CCC[C@H]2C1	2063534926	DDIBSEFQNBWPDQ-HOTGVXAUSA-N	246.394	4.662	0	10	BJAE	
C[C@H](N[C@H](C)CC1CCCCC1)C1CC2(CC2)C1	2064495012	WAYXBZNIKDVWKO-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NCC1(C)CCCCCC1)C1CC2(CC2)C1	2064498047	PFBMKPFNIHHIED-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](CC)c1ccccc1	2065990769	QUUDPFDWOVWPIE-IAGOWNOFSA-N	247.426	4.942	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCCC[C@@H]2C)n1	2066348136	YMNXRPDSRKMVFI-DZGCQCFKSA-N	246.398	4.586	0	10	BJAE	
CC(C)(C)CC1CC(NC2CCC3(CC2)CC3)C1	2067988525	KPZAEPDJMCNFAG-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@@H](N)CC(C(C)C)C(C)C)cc1C	2068818468	KIHVLRLGHXURLT-KRWDZBQOSA-N	247.426	4.622	0	10	BJAE	
CC(C)C(CC(=O)C1CC(=C2CCC2)C1)C(C)C	2068991409	NJYBLBLPBFCSPR-UHFFFAOYSA-N	248.410	4.764	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@H]2C=CCCC2)CCC1	2069336697	CLVMXDCKMSGFQB-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC12CCC(CC1)CC2	2070312799	YQLDETOOLRLPKT-CGZBRXJRSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)C1CCC([C@@](C)(N)C2CC=CC2)CC1	2070816954	CZNAWKVZMGMZBY-PGEKIEPBSA-N	249.442	4.523	0	10	BJAE	
CC(C)C1(C[C@@H](C)[C@H](O)c2ccccc2)CCC1	2071908474	NTPRMODSVOQRDA-ZBFHGGJFSA-N	246.394	4.573	0	10	BJAE	
CC(C)(C)C1(CNCCC2=CCCCC2)CCC1	2071937720	DXACGXDXVPWPFB-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@]23CCCC[C@@H]2C3)C1	2074090290	IXQONTORYLQIQX-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
C1=C[C@H](N[C@@H]2CCCC3(CCCC3)C2)CCCC1	2075365088	KPICHKUNPQWIEI-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2c(C)cccc2F)C1	2075981214	PWIRDWBTJNWOIL-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]1C1CCCCC1	2079531499	RKRIPDIFLUIPCB-LTIDMASMSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2C[C@@H]2C(C)(C)C)cc1C	2079862189	IDCJGQGQMBRYPB-CABCVRRESA-N	244.378	4.558	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	2079866257	RLOAVUSYJUSIET-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@H]1CCCC2(CC2)C1)[C@H]1CC[C@@H](N)CC1	2082135289	BJNWHKJHGXDAEF-XUWVNRHRSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)CCCC2CCC2)c1	2082925346	IWMSZCRKALYHAS-KRWDZBQOSA-N	245.410	4.582	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H]2CCCNC23CCCCC3)C1	2083815506	GLYOFUZTUFPDDN-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(O)(CCCCCCC1CC1)C(C)C	2213579815	IAMNUKQFMVEABN-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCCCCCCC2CC2)C1	2213580002	IXJAUBXVMROVSJ-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@@H]1CCCC(C)(C)C1	2215334644	SXLCJWOEODNWAE-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC1([C@@H](N)CC2(C)CC(C)(C)C2)CCCC1	2215385486	IXPLBDBHSFWEFT-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C)(CC(=O)CCC2CCCC2)C1	2215428972	DUUDPLLWWCPFIZ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H](C)C(C)(C)C)CC1	2215820398	DGAZJWZSCIFEKA-CZUORRHYSA-N	236.399	4.764	0	10	BJAE	
C[C@@H]1CC[C@](O)(CCCCCCCC2CC2)C1	2216861385	GGTSRBCXINQNQD-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC1CC([C@H](N)CCCCCCCC2CC2)C1	2216877324	KTWLTCDPZVVZKG-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CCC(C)(C)C)C(C)C	2217137267	KKACDYOMEHZVQC-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)CC1C[C@H]2CCC[C@H](C1)C2	2218356075	JDAWUVCCIUEGTI-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)c1c(C)cc(C)cc1C	2220962532	RHMYGLHWBXYDTA-LSDHHAIUSA-N	244.378	4.621	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)C12CCC(CC1)C2(C)C	2220964714	XFMWIEHKSWFKPX-WIJYIZELSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)(CN(C)C2CCC(C)CC2)CC1	2221610791	WHHZBVZSJLPAKX-PREGVCBESA-N	249.442	4.633	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)[C@H]2CCCC(C)(C)C2)CC1	2221628068	WNAAYLWFVFQKOZ-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CCCNC[C@@]1(C2CCCCC2)CC=C(C)CC1	2221663056	JQXDESNYIYWUBM-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCC1([C@H](NCC)c2c(C)cccc2C)CC1	2222004269	CWWHYPQIUUIMAK-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)C1[C@@H]2CCC[C@@H]12	2223123613	NGSWJVMQODDJJR-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)NC[C@@]1([C@@H]2CCC2(C)C)CC=CCC1	2223543245	XRFQEKPEIIYKKK-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC1(CCC)CCC1	2244774280	GECXUAWTAOGSPU-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(N)C(C)C	2244835260	BYONXEHSLSWXCF-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)CC(C)C	2244838344	UTVBULFTUAYZJH-AWEZNQCLSA-N	226.404	4.844	0	10	BJAE	
CCC(=O)CCCC[C@H](C)CCCC(C)C	2244845262	NMEGQEKVWFATRK-AWEZNQCLSA-N	226.404	4.988	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1CCc2cccc(C)c2N1	2246647434	QLVHOGDGJHDMRJ-DOMZBBRYSA-N	231.383	4.548	0	10	BJAE	
CC1CC(C)(C(=O)CC[C@H]2CCC[C@@H](C)C2)C1	2246656772	NNZDLSPTFRFULP-ILTLLKDXSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@](C)(O)CC1CCCCC1	2247419736	UOAZTIFYQKZHNZ-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(CC[C@H]2C=CCCCC2)c(F)c1	2247684990	NLHANYQLGBMZFU-AWEZNQCLSA-N	232.342	4.813	0	10	BJAE	
C[C@H](CC(=O)CCCCC[C@@H]1C[C@H]1C)C1CC1	2248808525	OCGVBVOHXXWJTM-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC1(CN)CCCCC1	2248844333	NECHYQUDYCALNQ-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC[C@H](O)C1CCCC1	2248848940	AZBXWBJUPSVVGX-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC[C@@H]1CCC[C@@H](C)C1	2250361377	MHLOAQGFHODIBC-FXUDXRNXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1csc2ccccc12	2250369080	FAONMALBNQRCBJ-XHDPSFHLSA-N	248.391	4.761	0	10	BJAE	
CCCN[C@@H](C1CC(CC)C1)[C@@H](CC)CCC	2250372295	OXTZCAFNRMLJNZ-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CN)CC[C@H](C)CCCC(C)C	2250466957	LYUAXJNQWBPYFP-CVEARBPZSA-N	241.463	4.994	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)C1CC(C)C1	2250475465	KZSCCLLOCUHLQV-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CC1CC(C)(C(=O)c2ccc3ccsc3c2)C1	2253134673	PWLBMWCYSOSZRX-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CC1CC(C)(C[C@@H](N)[C@@H]2CCCCC23CCC3)C1	2253772619	PGQWJODIPWBJBR-PWUWZPNHSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@@H]1CC[C@H](C)C1)CC2	2253864241	DVAGTUHWJJBDII-BJJXKVORSA-N	243.394	4.548	0	10	BJAE	
CC(=CC[C@H]1CCC[C@@H](C)C1)C1CCC(N)CC1	2253932310	BBDYLWRAFONTJC-PMRDFSHISA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@]1(CC2CC3(CCCC3)C2)CCCN1	2254077071	QWIPDBPBILUIDX-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@H]1[C@H]2CCCCC[C@H]21	2254596176	NDEJDKMVVWSCSX-WVCIDPQESA-N	248.410	4.598	0	10	BJAE	
OC1(CC2=CCCCC2)CCC2(CCCC2)CC1	2255099936	MXLIGGAGIGBZLG-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)CC[C@@H]2CCCC23CC3)CC1	2255289624	XBDUYHBUEZKZIW-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@@H](C)C1CCCC1)C2	2259568992	SJBVZYQWCOECPY-UHKZTBIMSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@]23CCC[C@H]2CC3)CC1	2260587305	MFJUSMUYSXAGIJ-MNSQOIKPSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CCC(N)(C[C@@]23CCC[C@@H]2CC3)CC1	2260667310	CDXGUKQGNQAATB-GMRIPVOYSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@](C)(CC)C(F)F	2299921658	GLWFHYMWYYUFLG-TZMCWYRMSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](C)CCCC(C)C	2300501530	OLHXBZXSRQFAHH-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(CCC(CC)CC)C1	2300687897	HNDUKUXBXXNLMF-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(N)[C@@H](C)C[C@@H]1C	2300992805	DLNHPGJIACOFKM-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](N)(CC)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301140399	OQTQMBIKTUOZSF-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@]1(O)CCCC(C)(C)CC1	2301865586	YFQNSDCLRFAYGM-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)CCC1=CCCCC1	2301937402	DWABCGOTNYAITB-MRXNPFEDSA-N	236.399	4.764	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@H](C)[C@H](C)C(C)C	2301956759	VMZNDTAQKHUZQV-LVQVYYBASA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1[C@H](Nc2ccc3sccc3c2)CC1(C)C	2302137848	AYNNLHUWUXYPEV-ZWNOBZJWSA-N	245.391	4.748	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)CCCCC1CC1	2302574672	PGAOWIFEEQTZEK-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@H]1C(C)(C)C	2303402633	UDTKRFPMAWKKCQ-BYNSBNAKSA-N	239.447	4.616	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2CC[C@H]2C(C)(C)C)CC1	2303477422	XWRPUXBOTORSFZ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)c2ccsc2C)CC1	2303602930	YTMUPOHGECVHMP-CYBMUJFWSA-N	248.391	4.766	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC[C@H]1CCC(C)(C)C1	2304351474	HYYBBURJZLKFKT-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(-c2nc([C@@H]3C[C@H]3C)cs2)cc1C	2307682710	GVZWJYMINJNJDX-DGCLKSJQSA-N	243.375	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)C1(C(C)C)CC1	2307891357	BYHNLQFYPLLEED-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H]1CCC[C@@H](CC)C1	2307907664	MXXDTAKGXWODFB-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@@H]1CC)[C@@]1(C)C=CCCC1	2312458843	QIHTVNWTULVOGC-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCCC1	2313181826	XJFXWPYRAQBVAF-ZNMIVQPWSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CCC1)C1(CNC2CC2)CCCCC1	2313589987	IFCNPVUKAMEJCT-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)N(C)[C@H]1CCCCCC12CC2	2313602764	CTRGBTAIEWAGEA-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2316501701	GOUYAQJODMGWFL-HZPDHXFCSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1c(C)coc1CC	2316504306	UPPNOKPSJBKVBN-CQSZACIVSA-N	249.398	4.547	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2317020967	MAMWRPSKRPPSTR-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
CCCC(CCC)NC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317039644	GNELCYICRMUUFX-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317126360	GPEPPPLHAYXEDE-ANQUJSFKSA-N	249.442	4.523	0	10	BJAE	
O[C@H](CCC1=CCCCC1)CC[C@@]12CCC[C@@H]1C2	2317962819	OZEYORVWHMWBRU-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@@H]1CC(C)(C)[C@@H]1C	2318256414	WHVUJWGEHHTSFV-TZDHZFECSA-N	249.442	4.523	0	10	BJAE	
C[C@H](NCCCC1=CCCCC1)C1CCCCC1	2318528784	JHWZMQWNIAHXTD-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC12CC(N)(CCCC1=CCCCC1)C2	2318567480	FGDGPTTUSDULDX-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCN(C)CCCC1=CCCCC1	2318570494	XVQTYDYFPZLPLR-WBVHZDCISA-N	249.442	4.635	0	10	BJAE	
CC1(C)C[C@@H](N)C[C@H](CCCC2=CCCCC2)C1	2318591700	AZYBPBDOVDETPN-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)[C@@H]2CC23CCCCC3)C1	2319121057	JMJYDVSGUQOJQX-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCCC[C@H]3C[C@H]32)C1	2319334125	KAWZVPVLAIMBDJ-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
CC1(CC(=O)CC[C@@H]2CC[C@H]2C2CC2)CCCC1	2319699854	MCJWVSHJSWCCNH-ZBFHGGJFSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@@H](COc2cccc(C)c2F)CC1	2320387684	JBLNTRXDKJHQTB-AWEZNQCLSA-N	248.341	4.649	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)C1CCCCC1	2320388854	UWPUMVOGXASFFJ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@H]1CCC(C)=C(C)C1	2320389388	ZTFACHVWHOGAQC-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CC)[C@H]1C=CCCC1	2320432578	MBIJKNLGXOGSDB-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@@]1(C)C[C@@H]1C)c1cccc(C(C)C)c1	2320512497	AFKJZMPLEUFTNI-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@@H]2CCC2(C)C)c1	2320524373	XWTIUNSQTOTHQU-JKSUJKDBSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@@H](C)CC(C)C)c1	2327793504	BWZHKFKCJIABFA-AWEZNQCLSA-N	246.394	4.983	0	10	BJAE	
CC(C)c1cccc(NC2C[C@H]3CC[C@@H]3C2)c1F	2327804238	NEGHJGRUJSKKIS-VXGBXAGGSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](C)CNc1ccc(Cl)c(Cl)c1	20016071	BNUCCQPGESQIGD-VIFPVBQESA-N	246.181	4.842	0	10	BJAE	
C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccccc1	20358643	OUOPIUMAULEPJF-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H](C)CC(C)(C)C)cc1C	36889621	IANYYCBEDVTPIU-LRDDRELGSA-N	247.426	4.766	0	10	BJAE	
C[C@H](Nc1ccccc1-c1cccs1)C1CC1	37075726	QHPWRQGNEHEITG-NSHDSACASA-N	243.375	4.626	0	10	BJAE	
CC[C@@H](C)Nc1ccccc1SC1CCCC1	37123480	NEEPEGXKMASEMH-GFCCVEGCSA-N	249.423	4.932	0	10	BJAE	
CCN[C@H](CCC(C)C)c1cc2ccccc2o1	62797860	XKYBNIICJIHEQZ-CQSZACIVSA-N	245.366	4.520	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)c1ccc(C)cc1C	68860279	ZTFDOTVXWSXUPI-HYVNUMGLSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)c1ccccc1C	69370912	UOZXQTQJVMTQNX-LSDHHAIUSA-N	233.399	4.614	0	10	BJAE	
CCCC[C@H](CC)N[C@H](c1ccccc1)C(C)C	69372707	ZKJJZDLBHMGVFA-IRXDYDNUSA-N	247.426	4.942	0	10	BJAE	
Cc1cc(-c2ccc(N)cc2C)c(C)cc1Cl	70475977	AZTBCSKCWPJUSP-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCCCC[C@@H](NC)c1cccc2ccccc12	70941507	QGLGHQKNPZHEIV-QGZVFWFLSA-N	241.378	4.681	0	10	BJAE	
C[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)C(C)(C)C)C1	80434159	OCCUONZXDWQSHM-BMFZPTHFSA-N	245.410	4.552	0	10	BJAE	
CCCCC[C@H](NCC)C1CCCCCC1	83779692	VDGLVKBVWJSEJM-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@H](C)[C@H](C)C1	84984013	JIGSDVVJPWHTAZ-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC([C@]2(N)CCC[C@@H](C)CC2)CC1	86883587	GMSHOHRUHFCNBV-LMPOIIKSSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H](N)c1ccc(Cl)c2ccccc12	93656394	XNLASXQZOVWOGJ-AWEZNQCLSA-N	247.769	4.539	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H](C)CC)NCC	126297759	VIDMQALLQVTUOU-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CCn1ccc2c(Cl)cccc21	129766488	FJRYJMRIUSSQIY-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2ncc(C(C)C)s2)C1	132189659	OWWRDIRNVYBXSV-NEPJUHHUSA-N	237.412	4.950	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCCC(C)C)c(C)c1	134286616	IEAJVRBJJJCLHG-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCCCSc1ccc(O)c2ccccc12	156329901	JBSKNIXXLUVTHG-UHFFFAOYSA-N	246.375	4.828	0	10	BJAE	
CCC(CC)C[C@H](O)C1(CC(C)C)CCCC1	157346113	VMZUQJFFXWWABI-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H]1CC[C@H](C)C1	165895809	DTVFJEOVCJSBDM-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(-c2cccc(CC(C)C)c2)ccc1O	166353982	FYXWAQVINATCHQ-UHFFFAOYSA-N	240.346	4.566	0	10	BJAE	
CCCCCCOc1cc(Cl)ccc1Cl	166478261	SPGZGGRARCIQRK-UHFFFAOYSA-N	247.165	4.953	0	10	BJAE	
CC[C@H](C)CC(=O)c1c(C)ccc2ccccc12	167199344	PCDZGYJARFIJOQ-LBPRGKRZSA-N	240.346	4.767	0	10	BJAE	
CC(C)C[C@@H](CNC(C)C)C1CCCCCC1	167924973	IRZBPAAKRVQJLU-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1Nc1ccc(Cl)cc1	221642706	VNLXUKHSIXFOGY-SUNKGSAMSA-N	237.774	4.577	0	10	BJAE	
Cc1cccc(F)c1NC1CCC(C(C)C)CC1	224975437	YUDQORNZHMUZCX-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1sccc1C	228739316	ZPFOKKZOUBHQDL-OLZOCXBDSA-N	239.428	4.663	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1ccc(C)c(Cl)c1	229272466	NDCVNMMXSXRBBQ-IINYFYTJSA-N	240.774	4.508	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cc(Cl)ccc1C	229273623	ATKARNNNWBAAJV-HZMBPMFUSA-N	240.774	4.508	0	10	BJAE	
CC1(C)CCC([C@@H](N)C2=CCCCCCC2)CC1	232827395	ZRJMWNLNSXECFF-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CCCc1ccc([C@H](O)C2(C)CCCCC2)cc1	233379113	CZJIKSNNOYIMJC-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@@H]2CCCC[C@H]2CC)C1	251659705	NXRCEIXWISUYOZ-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](O)[C@@H](c1ccccc1)[C@H](C)CC	252905965	SXCRKURYVASPPE-HYVNUMGLSA-N	248.410	4.758	0	10	BJAE	
CCSc1ccc(C(F)(F)C(C)C)cc1	259068944	XUSLGEDFWWNUCQ-UHFFFAOYSA-N	230.323	4.546	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCCCC1(C)C	300783270	BNNNEZHOAXLNFC-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CCC[C@H](N)CCC1CCCC1	300867493	MUXHUVQYNZVTLK-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(F)c(NCCCC(C)(C)C)c1F	302273142	HRPRWSWHMOJXOZ-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)CCC1CCCCC1	302472377	ZOYKYHPXVSEUNS-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
Cc1c(Cl)cc(Cl)c2ccsc12	306967410	MUDPBCBSQUFUJJ-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCCC1([C@@H](CCC2CCCC2)NCC)CC1	310284130	LRURLXHWVQYNLE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](O)C2(C)CCCCC2)C1	310473570	CBGDDNQGTRDWET-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)CCC(C)(C)C)c1C	310575631	AHTPOVSSCCXGHA-OAHLLOKOSA-N	248.410	4.780	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CCCCC12CCCC2	310775823	QILWTRNOTAWZQX-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
Cc1ccccc1[C@@H]1C[C@@H](C)c2ccccc2N1	310828259	YKERNMXTGOMKIC-DYVFJYSZSA-N	237.346	4.655	0	10	BJAE	
CCC[C@@](O)(CCCC(C)C)C1CCCC1	313388343	BWHVAZAHRMNHOU-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCNC[C@](C)(CC)[C@H]1CCC[C@@H](CC)C1	317797652	WBFCDENCDWLVKL-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](CC)C1CCC1	322563072	RKZAYQGHUMLNKK-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CCCc1ccc(N[C@H](CCC)C2CC2)cc1	384113216	FCZIFJYDUXEXIR-MRXNPFEDSA-N	231.383	4.630	0	10	BJAE	
CCC[C@@H](CCCCC1=CCCCC1)NCC	384855551	MUCCBTYMYNVSCJ-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1C=CCCCCC1	386106937	JMGVVYGDWYJZQA-HUUCEWRRSA-N	237.431	4.680	0	10	BJAE	
CC1(CNc2ccsc2Cl)CCCCC1	394605416	QUOCSNLACDSOQT-UHFFFAOYSA-N	243.803	4.784	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC12CCC2)C1CCCCC1	394869584	RKUWIZIAXLDDRG-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CCc1cccc(C)c1NC[C@H]1CCCC[C@H]1C	394876293	DNBRLMTWGRTJPV-CZUORRHYSA-N	245.410	4.796	0	10	BJAE	
CCOc1cc(Cl)c2c(CC)csc2c1	396193395	SMZOYCIFEAHSCG-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)c(F)c1)[C@@H]1CC1(C)C	397784053	OXDKHYGBFBIQSC-DZGCQCFKSA-N	249.373	4.761	0	10	BJAE	
C[C@H](C(=O)c1cccc2ccsc12)C(C)(C)C	399107253	AVVDKYLUAZDBOQ-SNVBAGLBSA-N	246.375	4.766	0	10	BJAE	
CC(C)(C)c1ccccc1[C@H](N)CCCC1CC1	405715543	GFOJPGDLJUHKOL-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CCCC1(CNC2(CCC)CCCC2)CCC1	687271675	NBFCKYWSBAUAHN-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C2CCC3(CC2)CC3)C[C@H]1C	695665793	DKAMDXIJJRHNHO-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C)NCC1CC(C)(C)CC(C)(C)C1	699523772	FPAAHNKMCWVNTF-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)C(C)(CC)CC	701257086	KNWQFHKYCUFOFS-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)[C@]1(C)CC1(C)C	702162677	WJQGDJVMKPWUQM-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(Cl)c(NCCCCC(C)C)c1	703986194	AMCUUUKDZILHNE-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@H]1CCCC[C@H]1C	704797638	PNNKGHUAOCZKHR-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(F)c1NC[C@@H](C)CC(C)(C)C	709099084	BBPYTBSASSKZNL-NSHDSACASA-N	237.362	4.618	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C[C@H](C)CC(C)(C)C	709102858	NELCOYGGADYDNB-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(F)ccc1OC[C@H](C)CC(C)(C)C	709108718	JIAWQTRVEACWKE-LLVKDONJSA-N	238.346	4.585	0	10	BJAE	
C[C@H](CC(=O)CC(C)(C)C1CC1)CC(C)(C)C	709133123	SKCIMRUHENQGSS-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CCC1=CCCCC1	709259381	MEBYEYCYUPPUKR-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
Cc1ccc([C@H](C)Nc2csc(C)c2)cc1	710708190	ATSBAVXPZSXOTI-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
C[C@H](CC1(N)CCCCCCC1)C(C)(C)C	711116066	DCOISHGGQOOKCA-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
Cc1ccccc1N[C@@H]1CC(C)(C)CC[C@@H]1C	713022914	OHNFUMHBRSMWAA-DZGCQCFKSA-N	231.383	4.622	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(CC(C)(C)C(C)C)C1	713175644	RWSHOZPWNMVQJA-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)C(C)(C)C(C)(C)C	713681436	FFEFDNHILGSVGM-BMSUMIBZSA-N	237.431	4.559	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]21)C1CCCC1	714258597	PGJQKLMWLVYXKQ-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@]2(C)C[C@H]2C)cc1	714709988	NYKPKYINGIFFDZ-ZENOOKHLSA-N	231.383	4.658	0	10	BJAE	
CCCCCCC(=O)c1ccc(C2CC2)s1	716651187	PVTOAJPHOQNASV-UHFFFAOYSA-N	236.380	4.779	0	10	BJAE	
CC1(C[C@]2(N)CCCCCC2(C)C)CCCC1	719199216	JQHCAMFYABXQLU-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CC[C@H]2CCCC[C@@H]2C1	723645237	HIEJAOYMZJVTTB-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)[C@@H](C)NCC(C)(C)C(C)(C)C	1308784095	CJXICXPKTWQMTC-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCN(C[C@@H](C)CC(C)(C)C)c1ccccc1C	1459785135	KOZNHJKNARXXJB-AWEZNQCLSA-N	247.426	4.894	0	10	BJAE	
CC[C@H](NC[C@@H]1C(C)=CCC[C@@H]1C)C1CCCC1	1560831532	LINBBWIVRKPULE-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(SCCc2cccs2)cc1C	1652447067	FJAFUBNWHDAAPE-UHFFFAOYSA-N	248.416	4.700	0	10	BJAE	
CCC(CC)SC/C=C/c1ccccc1	1652643637	DHAGANMAQZJXKA-DHZHZOJOSA-N	220.381	4.622	0	10	BJAE	
C[C@@H](SCC(C)(C)C)c1ccccc1	1656549436	CHEFWARNKZJSQM-LLVKDONJSA-N	208.370	4.527	0	10	BJAE	
CC[C@@H](C)CCN(C)Cc1ccccc1C(C)C	1875782466	PNGRWXOLYBLBFV-OAHLLOKOSA-N	247.426	4.678	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1CCC(C)(C)C1	1902378728	IZSMHCBPFBROBT-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1cscc1CC	1905441835	AWNCUXQLIGFJKJ-SMDDNHRTSA-N	240.412	4.560	0	10	BJAE	
CC(C)(C)CC(=O)C[C@@H]1C[C@H]1C1CCCCC1	1910794235	NGQQIBNVEJJUGB-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
CC(=CCCNC1CC1)C[C@@H](C)CC(C)(C)C	1912049658	ODDBSOSBARSIPK-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@H](O)c1cccc(C(C)(C)C)c1	1912102460	CYFJBRBMZXRINN-INIZCTEOSA-N	244.378	4.540	0	10	BJAE	
CCCC=CCN[C@@H]1CCC[C@@H](CC(C)C)C1	1914680615	VCWULGLCSMLVOR-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC=CCN[C@@H](C)c1cc(C)c(C)cc1C	1914681659	HDKXJZCBEDXDIR-INIZCTEOSA-N	245.410	4.619	0	10	BJAE	
C[C@H]1C[C@@H](N[C@@H]2CCC3(CCCC3)C2)CC[C@H]1C	1916439855	BOWKROMMLJFMIG-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)[C@H](c1ccccc1)C(C)C	1921320714	PLORIMDCYODOAU-UAGQMJEPSA-N	248.410	4.613	0	10	BJAE	
Cc1scc(C(=O)C[C@@H]2C=CCCCC2)c1C	1925777284	QIYVECJENLJLER-CYBMUJFWSA-N	248.391	4.684	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@H]2C=CCCCC2)C1	1925801226	ATFNRBQXEBVMGD-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@](C)(N)C(C)(CC)CC	1933883335	IFYOOKDRENGEBT-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
Cc1ccsc1C(=O)[C@H](CC(C)C)C(C)C	1936211966	FTRQSKSCGCPPKL-GFCCVEGCSA-N	238.396	4.558	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1CCCCCC1	1937161250	FNFJKBICZJVXGC-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CC2(C)CCCCC2)CC1	1940406496	GRYWODHEMQXNRE-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC1CCC(C(=O)CCC[C@@H]2CC2(C)C)CC1	1940879807	DVRVIHMVJQKSLM-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H](CCC)C(C)C	1941273383	QVEVYRKMYLJXPJ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)c1sccc1C1CC1	1942503036	FRGXMEVSITTZLX-NSHDSACASA-N	248.391	4.635	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C1C[C@H](C)C[C@@H](C)C1	1943019034	DOQCMSSIUGPWNZ-IOASZLSFSA-N	238.415	4.556	0	10	BJAE	
CC1(C)C(C(=O)CC2CCCCCC2)C1(C)C	1946162171	KEHKLAPXFOQRIA-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)N[C@@H]1CCCC2(CCCC2)C1	1946455276	LYJZVUVHTFJGSV-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)CC(C)(C)F	1947085400	ZKBIIXLAHHZLLM-AWEZNQCLSA-N	243.410	4.629	0	10	BJAE	
CCCN[C@@H](CC(C)(C)F)[C@H](C)CCC(C)C	1947086977	HUTOUVQAFGQBKM-KGLIPLIRSA-N	245.426	4.565	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@@]1(N)CCCC(C)(C)C	1947454930	BODKVHZOUSYIEM-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)CCC1CCCCC1	1948332130	KCQVKEPTINARGM-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@H]1CCC(C)(C)C1	1949515661	BYDCUFGKTIMJMV-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CCC(C)(C)C)C2	1950545062	FNYFONRMFUEHGY-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2(C)CCCC2)CC1	1950930197	NFIARUJWOJIMLU-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)CC12CCC(CC1)C2	1950959527	DYVCLMJTPLHBEY-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCC23CCCC3)CC1	1963196279	XTRFYUHMEIQXSO-HWOWSKLDSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](CCC1CC1)NC[C@H]1CCCCC12CCC2	1967865209	PFVYPAACHNGUMD-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NCC[C@@H]1CC1(C)C)c1ccccc1	1968434976	DAPAAXQHBKAGMW-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
CC(C)C(N[C@H]1C[C@H](C)c2ccccc21)C(C)C	1968603908	IOYRAZVSUVQRIU-BBRMVZONSA-N	245.410	4.505	0	10	BJAE	
c1ccc(C2CC2)c(NC[C@@H]2CCC3(CC3)C2)c1	1969417134	UMLFAHFWJHGACN-CYBMUJFWSA-N	241.378	4.556	0	10	BJAE	
C[C@@H](NCC(C)(C)C1CCCC1)c1ccccc1	1971681433	LDXBMZWBVHOYEC-CQSZACIVSA-N	245.410	4.554	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1CCCCCCCC1=O	1980318689	FNNXMCPENHQLRM-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCC(=O)[C@H]1C	1982806951	ASJUPTAVLUQMQN-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](CNc1cccc(SC)c1)C(C)C	1988767548	LVMPBFTZRWATNS-GFCCVEGCSA-N	237.412	4.503	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)CC(C)(C)C	1990097398	CISDUHGYCOCZLX-UONOGXRCSA-N	227.436	4.760	0	10	BJAE	
CCc1ccc2occ(C[C@H](C)CC)c2c1	1995463322	IMRUSOPVJGOXNZ-LLVKDONJSA-N	216.324	4.584	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@]2(C)CCCC[C@H]2C)C1	1995645689	TWYLLXOBUABTTI-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](O)CCC2CCCCC2)C1	1996271181	QTTOKGJMJUBOFZ-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]([C@H]1CC=CCC1)C(C)(CC)CC	1997543068	DJKJRRXDQTYWIX-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C1CC(N)(CCC2CCCCC2)C1	1998235367	VXUHNOBYSNVUHH-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)CC1=CCCCC1	1998380269	MMVGTDYGTALAIG-GJZGRUSLSA-N	237.431	4.824	0	10	BJAE	
CC[C@H](N[C@@H]1CCC2(CCC2)C1)c1ccsc1	1998692363	BXZXVFUCMJCZMP-KGLIPLIRSA-N	249.423	4.512	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2000834353	RSOZABQNPVNOOZ-IMRBUKKESA-N	249.785	4.639	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCCCCCCC2)C1	2000894610	JUAFKYKTARSAEZ-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
Cc1cccc(NC[C@@]2(C)CC=CCC2)c1Cl	2001702181	XSZMKSUWDKODMT-HNNXBMFYSA-N	249.785	4.807	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2002229645	NGKMLWZIMVRITA-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)[C@@H]1CCCC(C)(C)C1	2002980850	ZUPYVFCEOUVOQN-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CC(C)C1(CNC2CCCCCCCC2)CC1	2003097674	BQMJGXPMKWWVRE-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(CC2(O)CCCCCCCC2)CCCC1	2003110725	GHVHTGSFWSUPQX-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CC1(C[C@H]2CCCCCCC2=O)CCCCC1	2003117951	PWHUMYASJJLKMK-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@@H]1CCCC2(CC2)C1	2003209118	UBVWDLFXLWLDLP-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCCNCC1(C)CCC(C)(C)CC1	2007681024	DUYDWTQVMPAPPY-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC=C(C)[C@@H](NCCC)C1(C)CCCCCC1	2007858327	WYJGYWRFKBZECO-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)[C@@H](C=C1CCCC1)NCC	2007939376	HELCQKVKABZQSD-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC1CC(NC2CCC(C)(CC)CC2)C1	2009714400	PFNUVXICCGEWTP-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCCCC1CC(N)(C2=CCCCCCC2)C1	2009791536	NFZFGUNYCMKAMI-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCC[C@H](CC1=CC[C@@H](C(C)(C)C)CC1)NC	2010765924	QSGXUNPMMHFDCM-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H]1CCCCCC12CC2	2011271256	IDRGPACBKBGUAQ-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1C[C@H](C)CC[C@H]1C	2013323280	VLKOBDPXIRTWDX-KLHDSHLOSA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)CC(C(C)C)C(C)C	2015272185	CJBQMDANNVNPMW-GDBMZVCRSA-N	242.447	4.738	0	10	BJAE	
CC(C)C(CCC1(CO)CCCCC1)C(C)C	2015278333	NFLHHDKZUSYOQG-UHFFFAOYSA-N	240.431	4.638	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)C1(C)CCCCC1	2015282503	WANUKMZUHWZSBP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC[C@H]1CC(=O)C[C@H](C)C1)C(C)C	2015390203	ITZCSLPMGLUOGW-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)CC(C(C)C)C(C)C	2015412072	KKPKTISTRVIUTR-HOCLYGCPSA-N	241.463	4.719	0	10	BJAE	
CSc1cccc(N[C@H](C)CCC=C(C)C)c1	2016134843	BORQGMJGEKXEBF-CYBMUJFWSA-N	249.423	4.955	0	10	BJAE	
CN[C@H](CCC1(C(C)(C)C)CCC1)C(C)(C)C	2017139999	BUVLNDSOFDIHIY-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2(C(C)(C)C)CCC2)C1	2017147805	HRACKWLVZGGUPV-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C(CC)(CC)CC	2017476442	XOQNBGMXCUWMOA-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCC[C@@H](N)[C@H]1CC[C@H](CCC)CC1	2017658287	LGPLGBDQMRDHTF-LEACJKDESA-N	237.431	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(CC)CCCN2)CC1	2017721675	BKGFVQPOPYSPHW-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCCC(C)=C1C	2018129750	FHPCLASIUUUQSN-HZPDHXFCSA-N	237.431	4.824	0	10	BJAE	
CCC1(C[C@H](O)c2cccc3ccsc23)CC1	2018963850	BNAGENDYMOFUGC-ZDUSSCGKSA-N	246.375	4.515	0	10	BJAE	
CC(C)CCCCCN1C[C@H](C)C[C@@H](C)[C@H]1C	2019341432	ANIVHFSODMCCKA-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@H](CCC2CCCCC2)[C@@H]1N	2020358076	CUKFNFQQZRSUAL-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
FC(Cn1ccc2ccc(Cl)cc21)=C1CCC1	2023185274	SETHUIRHPYUTCQ-UHFFFAOYSA-N	249.716	4.702	0	10	BJAE	
CC(C)c1ccc(NCCC2(F)CCC2)cc1	2025272760	AGWVAWOOJFHMTM-UHFFFAOYSA-N	235.346	4.504	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)CCC2(C)CC2)cc1	2027732089	KMSQEJBCTMVNNF-BBRMVZONSA-N	245.410	4.780	0	10	BJAE	
CCCc1ccccc1NCCC[C@H]1CC1(C)C	2027824338	ZRQNOTONJDSMNS-HNNXBMFYSA-N	245.410	4.877	0	10	BJAE	
CCCC(CCC)[C@H](N)c1cccc(C2CC2)c1	2028551748	JGQDQZCYIWSBHN-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CCN[C@H](CC1CCC1)[C@]12CCCC[C@@H]1CCC2	2031759012	MQPGMMWDLCXOIW-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1[C@H]2CCC[C@H]21)C1CCCCC1	2032797101	ZSBYYVDNSOVPLW-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@H]1CCCCC12CCC2	2035888766	BNMOOKRRBDESEE-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCCC1CCC(C(=O)C2CC3(CC3)C2)CC1	2036301140	HFSBEZNCOSBSDT-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@H](n2ccnc2C2CCCC2)C1	2036775359	DMKGXYDSZOSTAQ-ZFWWWQNUSA-N	246.398	4.682	0	10	BJAE	
CC1CCC([C@@H]2c3ccccc3NC[C@@H]2C)CC1	2037223136	HPCJJPKJVBNXEF-ICEJCHNJSA-N	243.394	4.658	0	10	BJAE	
O=C(CC1CCCCC1)[C@@H]1CCC2(CCCC2)C1	2037677980	HTHCMNKAFYKTTB-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)[C@]23CCCC[C@@H]2CCC3)C1	2037695230	QWQAALRFKHPOGW-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
NCC[C@@H]1CCCC(=C2CCC3(CCCC3)C2)C1	2038877014	QQLZINOZPOZXTQ-AWEZNQCLSA-N	247.426	4.566	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCCC2(CCC2)C1	2041291176	XFEHSOQTQBDMCR-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@H]1C)[C@@]1(C)CC=CCC1	2042022308	PRYKHRMRJPLVRK-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)[C@@H]1CCCC(C)(C)C1	2045537692	CPMIPGUJLXCUFH-FZKCQIBNSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](c1coc(C)c1)C1(C)CCCCCC1	2045795565	ZNOKDJOGPGCZNT-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCC1CCC(CNc2cc(C)ccc2F)CC1	2049350957	YCKXYODAUNMBMM-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)[C@H]1CCCC(C)(C)C1	2049490259	NGCZASVDXIQDJA-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@H]1CC=CCC1)[C@H]1CC[C@H](C)CC1	2049636618	MFBFFUSGXXUIMO-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1CCCC2(CC2)C1)C1CCCCCC1	2049950223	FSVDUMBKGCSFBE-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@@H]1CCCCC1(C)C	2053667579	QJKRQDRRGRPQQA-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccncc1N[C@@H](C)CC1CCCC1	2053834072	MLBFRSFUEILTKA-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
CC(C)(CC(=O)CC1CC(C2CCC2)C1)C1CC1	2056671195	IEPAZGFGDKZBBU-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@]12CCCC[C@H]1CCC2	2056773532	CYWXJOGQXYJEOV-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@H]1CCC[C@@H](C)CC1	2056873151	KTBZUESXFGMXIY-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1CCC2(CC2)C1	2059251941	CXMMUIMIFCNOSJ-TVKHYIBRSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C1=CC[C@H](C)CC1	2060927376	XLJUVZCGFRHTJJ-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@](C)(N)CC2CCC2)CC1	2061112695	IGTIIVONNBABAE-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)C1(CC)CCC1	2061145105	WOQUQPRURCYDJV-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@@H]1C[C@@H](CC)CC[C@H]1CNCCC	2061564209	XCDWSROSXLXUSF-BBWFWOEESA-N	249.442	4.550	0	10	BJAE	
CC1(C(=O)CC[C@@]23CCC[C@@H]2C3)CCCCCC1	2061602401	NJJWTEDLBJVVJC-RHSMWYFYSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](CC[C@]12CCC[C@@H]1C2)CC1(C)CCCC1	2061638796	QIDDQIUWZNINID-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC(CC)CC)CC1CC(=C2CC2)C1	2061730784	MFVPVPVTITXEBA-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCCN(CCC[C@@H]1C[C@@H]1C)c1ccccc1	2062629293	DLXBLQRKBVVECB-JKSUJKDBSA-N	245.410	4.729	0	10	BJAE	
C[C@@H](NCCC12CCC(CC1)CC2)C1CCCC1	2065258898	KURJSZPPNHTGEF-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C[C@H](N)CC12CCC(CC1)CC2)C1CC1	2065311593	YZODVLDTKUGQIU-GULBITTBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](N)[C@@H](CC23CCC(CC2)CC3)C1	2065335451	PSNMUOALGYOQPY-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)[C@@H]1CCC1(C)C	2068235291	DNMILVXLESUEST-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CC[C@@H](O)c2cccc(C)c2)CCC1	2069330287	GAXKMYBEOJTYLH-MRXNPFEDSA-N	246.394	4.779	0	10	BJAE	
C1CCCC(CNCC2(CC3CCC3)CC2)CC1	2069580579	KQUZTSHYJXKWRW-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(C(=O)CC2(C(C)C)CCC2)cc1C	2071913016	MHCBEOQOKVFDSH-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H](C)c1ccccc1	2072416590	HJMIDBLBYJTVIM-DOTOQJQBSA-N	245.410	4.515	0	10	BJAE	
CCCC1CCC(C=C2CCCCC[C@H]2N)CC1	2072819488	SBDDVZUZVLXURX-VMBOVVBDSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](C[C@]12CCCC[C@H]1C2)C1CCCC1	2074031114	XANQKNMFJDKIGW-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@@]1(C)C=CCCC1	2074642768	YDDWEUUDZYRUGG-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N(C)[C@H]1C=CCCCCC1	2074811549	WDGGJWLZWRFNAJ-YESZJQIVSA-N	249.442	4.632	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CCC23CCC(C)CC3)C1	2074893271	SOKFMERGAHJUDR-VUROTCPHSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCCCN([C@@H]2CCC23CCCCC3)C1	2075018459	ZJPLBIQWZWPHAV-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCCCCC1CC(N(C)[C@@H]2C=CCCCC2)C1	2075401849	QSJQFRCJWAWSDR-AQFXKWCLSA-N	249.442	4.776	0	10	BJAE	
CC(C)CN(C1CCCCC1)[C@@H]1C=CCCCC1	2076589140	GIPFQEJNUQKUKG-MRXNPFEDSA-N	249.442	4.776	0	10	BJAE	
CCN[C@@H](c1ccc([C@@H](C)CC)cc1)[C@@H]1C[C@H]1C	2079225834	YAICRLFAOSIYCQ-IXKJSCDLSA-N	245.410	4.507	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@H]2C2CCCCC2)CCCC1	2079427245	HDHMHUYKLWKQBJ-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CCCCCCC1CC1)[C@H]1CCCCN1	2213571106	DIBUTQLBAKJIGO-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
N[C@H](CCCCCCC1CC1)CCC1CCC1	2213573330	GNTOMVLWKCNRJI-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](CC(=O)CCC1CC(F)C1)C(C)(C)C	2215042389	IFZVZOOIXZKNKX-OTTFEQOBSA-N	242.378	4.546	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC[C@H]1C[C@H]1CC	2215249310	IWDVMOXGPPMQLT-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(O)CCC[C@H](C(C)(C)C)C1	2216260744	ZXSNUYXRCXBWSG-RZLSGREXSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H]([C@@H]1CC[C@@H](C)C1)C(C)(C)CCC	2216286231	SIDGJQCUKDLJSK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1[C@@](C)(N)CCCCCCCC1CC1	2216903615	SGSOXFSTCRTPCL-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](CNC1CCC1)C(C)(C)C	2217142909	YJXKUIWBYWLLGC-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CC1(CN[C@@H](C)CC)CCCC1	2217151293	TWTKOPWFCWRHLH-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
O=C(C[C@H]1C=CCCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218339588	LRBNGINHDIVCGU-CAOSSQGBSA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](CC=Cc1ccccc1)C[C@H](C)CC	2219089248	ZFIKLCBENJHSAS-WBVHZDCISA-N	245.410	4.504	0	10	BJAE	
CN(CCCCC1CC1)C1CCC2(CCC2)CC1	2220014479	TXFCHDPWVRMTAS-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)c1coc(C)c1	2220045441	NMYUAQBDTRDVLQ-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
C[C@H]1CC[C@H]1C(=O)c1ccc(C2CCCC2)cc1	2220540769	OIBPXGXIJHJLIF-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C1(C)CC2(CCC2)C1	2221006103	JXEFCQACYRMZRK-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@H]2CCCCC23CC3)C1	2221087132	ZDJZCNNVVHOMPC-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@H]1[C@H]2CCC[C@H]21	2223109407	NGSWJVMQODDJJR-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)NC[C@@]1([C@@H]2CCC(C)(C)C2)C=CCC1	2223559156	NZIWODHEHNZHDN-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CC1(C)CCCC1)N2	2224125363	PNFSSKHPGLCXSR-HNNXBMFYSA-N	243.394	4.692	0	10	BJAE	
CCC[C@H](C)NCC[C@H](C)CCCC(C)C	2244848053	XAKPUSDIRNVLEO-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1(C)CC(C)C1)NCC	2246453140	AYZQDWNBTSTOAD-PYBGIAKNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(C)(C)CNC(C)(C)C	2247165240	QEBPCWJYSOYGMX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@](C)(N)CCC(C)(C)C	2247172561	AYHDGPYRQYBTLC-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@@H](NC(C(C)(C)C)C(C)(C)C)C1	2247717509	KGZPXWWQIJTKAW-GFCCVEGCSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCCC1(C)CC1)NCC	2250360083	GLLKOJMXCUNBJC-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@]1(CC[C@H](C)CCCC(C)C)CCCN1	2250470383	ZMJUHNHYCJPESY-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@H](N)C(C)(C)C	2250478368	IEXXBIQBVMBUDV-LSDHHAIUSA-N	241.463	4.993	0	10	BJAE	
CCNCC[C@@H](C)CC[C@H](C)CCCC(C)C	2250528284	MKJMGZWFDOXKMF-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCCC(CCC)CN[C@@]12CCCC[C@H]1CC2	2251138302	KTFLPJSIGUSQHA-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](C)N1CC[C@H]1CCCCC12CC2	2253856432	QNQASSAHSAUHHU-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)CC1CC2(CCCC2)C1	2254105075	FTDZPUPALHXZKR-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc2ccn(CCCC[C@H]3C[C@@H]3C)c2c1	2254539816	QRFROLGURDCPPG-HOCLYGCPSA-N	241.378	4.776	0	10	BJAE	
CC(C)(C)NCC1(C[C@H]2CCC2(C)C)CC=CC1	2255018214	YYUSHBBNTLWVKB-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)NCC1(CC[C@@H]2CCCC23CC3)CCC1	2255255367	FDQDREYBMSWKLE-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)CC[C@@H]1CCCC12CC2	2255280630	CAODVHDTOICJLW-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1N[C@H](C)C1(C)CCCC1	2256143869	HRDOUYFAAILMIE-GFCCVEGCSA-N	249.373	4.769	0	10	BJAE	
CCCc1ccc([C@H](C[C@H](C)C(C)C)NC)cc1	2256291496	FLVCSIHUZKBION-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@]1(C)CC=CCC1	2257249862	WDJFVSBABDMDGV-VYDXJSESSA-N	248.410	4.908	0	10	BJAE	
Cc1cc(F)ccc1NCCCCC[C@H]1C[C@H]1C	2257328505	RBMWBNOXCPTRKY-OCCSQVGLSA-N	249.373	4.762	0	10	BJAE	
c1cc(NC[C@@]23CCC[C@H]2CC3)cc(C2CC2)c1	2260578874	NXAHGARRUSCNFX-RDJZCZTQSA-N	241.378	4.556	0	10	BJAE	
C1CCCC(CCNC[C@@]23CCC[C@H]2CC3)CC1	2260632262	BZGMDOQRMITRSR-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1ccc(C)cc1C	2300678547	LJSNWFZNQFTEDR-MRXNPFEDSA-N	234.383	4.553	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C)[C@H]1CCC(CC)CC	2300682323	XVZOVWCIBLAVLL-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H](CC)CCC	2300873189	XFTDGLNXXRMPCX-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@@H]1CCCCC1(C)C	2300897318	RKQGHPIIXUSCHH-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C)[C@@H]1CC=C(C)CC	2300925573	DMAAZNNQPNDBQE-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N[C@H](C)C1(C)CCCCC1	2301708561	VQSPEXRILGQZHC-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)NCC(C)(C(C)C)C(C)C	2301835184	DIKPCZVHVIIFAX-GJZGRUSLSA-N	241.463	4.575	0	10	BJAE	
Cc1cc(C)nc(CCCC2=CCCCC2)c1	2302341936	BMKOICKFTXDRLN-UHFFFAOYSA-N	229.367	4.522	0	10	BJAE	
CCC(=C[C@H]1CCC(C)(C)C1)CNC(C)(C)C	2302705768	BKFYBWUGFQNMME-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C[C@@H](N)CC[C@@H]1C[C@H]1CC)C(C)(C)C	2303588046	VICLSCFOQWNAIL-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](O)C[C@@H](C)CC(C)(C)C	2303611952	OZCVTOSACKVDPF-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)NCC[C@@H]1CCC(C)(C)C1	2304423190	PIUWVJCSLKGFAS-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](O)(CC)C12CC(CC(C)C)(C1)C2	2304437211	PKMPDHQKRDUYEP-UYSNPLJNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C(Oc2ccc3ccccc3c2Cl)[C@H]1C	2307637915	BPUYLVHBQXJRJK-UWVGGRQHSA-N	246.737	4.526	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1(CC2CC2)CCC1	2307820442	YLRDIHLPFWNLEI-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCCC[C@H]1CC	2307827021	TUFPKJWWFRWFOB-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CC[C@@H]2C[C@H]12)C1CCCCC1	2308153474	VBARQZGBRNHGMC-MKVSYHDVSA-N	248.410	4.598	0	10	BJAE	
CC=CCCCC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2310189781	KRRGCYDWQQOCPT-JYJNAYRXSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)[C@@]23CCC[C@@H]2CC3)C1	2313312356	MNJPNQCRTCCCCZ-KLZNWCGWSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@]12CCC[C@@H]1C2	2315878831	YTPLIRZIWKXPFZ-WBVHZDCISA-N	243.394	4.721	0	10	BJAE	
CCC(CC)CCC[C@H](NC)c1ccccc1C	2316244381	YPHOOKPILXEGPW-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1ccc([C@H]2C[C@@H]2C)o1	2316251161	HILVPORQYPJBNQ-FPMFFAJLSA-N	249.398	4.619	0	10	BJAE	
CC(=CC[C@H](N)[C@]12CCC[C@H]1C2)CCCC(C)C	2316501397	DWUWMHUTCNOCKN-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C12CCC(CC1)CC2	2316509770	JXVULANELNSMNC-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)CC1(C)CCC1	2317974755	QTWDRIHIGJXXMX-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC(C)([C@H](N)CCCC2=CCCCC2)C1	2318573667	VBKPMPUTKCNNED-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@H]1C)C[C@@H]1C=CCCCC1	2318933149	ZCSZEJQRWBLFCI-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)CC[C@H]2CC[C@@H]2C2CC2)CCCCC1	2319691077	XGGNLYURFSWQAB-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CC[C@]12CCC[C@@H]1C2	2320217736	PDYSCASDKWJAJP-WBOJAVRRSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](CC)CN1CCC[C@@H]1c1ccc(C)o1	2328097919	QCIAFGLLBKSITQ-LSDHHAIUSA-N	249.398	4.551	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1coc2ccccc12	2328273519	CNMMRARSKWUGPF-IUODEOHRSA-N	245.366	4.649	0	10	BJAE	
Cc1ccc(-c2cc3ccccc3s2)cc1	6814948	XJLLNQDYYNJHFS-UHFFFAOYSA-N	224.328	4.877	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCc2ccccc21	20520252	SCYNCCXRKFTMNA-WMLDXEAASA-N	245.410	4.622	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCCC[C@H]2C)cc1	20549674	UCMKWAQBHBFGNU-CJNGLKHVSA-N	231.383	4.801	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@H](C)c1ccccc1	21061053	XFEHHTBWGUNWSY-OAHLLOKOSA-N	247.426	4.798	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)C2CCCCC2)cc1	36171574	LBLJXYIEDCBTAW-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](CC)c1ccco1	54106078	MUGVXNZJYCDGFB-AWEZNQCLSA-N	243.350	4.714	0	10	BJAE	
CCCCCCN(CCCC)c1ccccc1	59620239	JCBBNZKAMMOLSV-UHFFFAOYSA-N	233.399	4.873	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(C)c(C)c2)C1	71105700	DZSGMDIAAJUBNN-HUUCEWRRSA-N	231.383	4.684	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC1CCC(C)(C)CC1	79676699	WKROFXPGESDFGV-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccc3sccc3c2)C1	80445184	QRZDVWMLKXUSQN-YPMHNXCESA-N	245.391	4.892	0	10	BJAE	
CC1(C)CCCC[C@H]1Nc1ccccc1Cl	86842543	VOCWBKCZYVTNFU-CYBMUJFWSA-N	237.774	4.721	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)C1CCCCCCC1	87690263	RIFFVHBBRLHHOV-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CSc1cccc(NC[C@H]2CCC[C@H](C)C2)c1	89586147	SEJIVXSMEHQYHB-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)(C)C)C1=CCCC1	104434108	XLJSSEDQFIXVSQ-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
C/C=C\C[C@H](C)c1cccc(Br)c1	107494791	BMTRADOWNADJNR-XOULXFPDSA-N	239.156	4.519	0	10	BJAE	
CC/C=C\C[C@H](C)c1ccc(OC)cc1Cl	107667606	WSUQXWHTWZFNIX-GZTOBOFZSA-N	238.758	4.808	0	10	BJAE	
CCCCc1ccc(N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1	109762398	MLOPDIVLFLUONH-INMHGKMJSA-N	243.394	4.630	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)C2CCCCC2)c(C)c1	109898738	RLEAIGOJEIWHMQ-HNNXBMFYSA-N	245.410	4.993	0	10	BJAE	
CCCC[C@@H](CC)CNCC1CCC(C)CC1	113014140	FBCWDMBZNOXGJR-HWOWSKLDSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1cc(C)cc(C)c1	124405054	JREYZHJKRUNXQO-NVXWUHKLSA-N	247.426	4.910	0	10	BJAE	
CCCC1CCC(N)(CC(CC)CC)CC1	127845211	AASNYKTYVZZFOG-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1ccc2ccccc2c1	163661397	CLUPBHNDOPWIRC-SUMWQHHRSA-N	241.378	4.537	0	10	BJAE	
CC(C)CNC[C@](C)(CCC(C)(C)C)C(C)C	164433361	JUDUKCNXDJFKAM-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
CC(C)CCC[C@@](C)(CNC(C)(C)C)C(C)C	166106636	LKEYOQLJIVJWJB-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1ccccc1C1CCC1	169088735	MHVJRPDVDNJRDC-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCC[C@H](CCC1C[C@H](C)C[C@@H](C)C1)NCC	220381866	UJBXUHMQHSMQOR-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC(CC[C@@H](O)c2ccccc2)C[C@@H](C)C1	220389000	ZHKXURJWTYCJOV-GRDNDAEWSA-N	246.394	4.573	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)c1cccs1	225985815	FBDPJVYRGUGNDK-OLZOCXBDSA-N	239.428	4.758	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC1CCCCCC1	229341430	IEHJEYCAHWIYCP-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC1CC(Nc2ccccc2-c2ccccc2)C1	232871050	KYZOSNBVSKEOHX-UHFFFAOYSA-N	237.346	4.564	0	10	BJAE	
CCCC1(CN[C@@H]2CCCC(C)(C)CC2)CC1	233032833	RURQKWAQNDOZKI-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
FC(F)(F)c1ccc2cc(Cl)ccc2c1	238592185	OFRDTYWYZASUOK-UHFFFAOYSA-N	230.616	4.512	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1NCC	250842914	YTCMPJXQUVGGKD-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H]1C[C@@H](CCC)CC[C@H]1NCCC	251275654	DMBRTXQAPZLCSU-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H]2CCC23CCCCC3)C1	300685997	ZCYJXXGDOBNJMU-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](n2ccc3ccc(F)cc32)C1	301863407	AALRGMGWBSSPHC-SWLSCSKDSA-N	245.341	4.922	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)CCC(C)C	304417391	QOPLGEXXZUQZIG-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
Cc1cc2c(C(F)F)csc2cc1Cl	306908268	FIIJJLZTZXVVAE-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC1(COc2ccccc2C(C)(C)C)CCC1	310884857	XIXABZKYEALDAA-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C[C@@H]2CCC[C@@H](C)C2)c1	311013331	PMZZLKNTZOERME-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
CCCNCC1([C@H]2C=CCCC2)CCC(C)CC1	317553213	KWRDYYYDBUVFKO-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(CNC2CC2)CC=CCC1	318983592	ZHSWLSYGLSYITA-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H](C)C2CCCCC2)cc1	380998329	HDKPDIKGIGCDPQ-YOEHRIQHSA-N	245.410	4.601	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCC[C@H](C)C1	383158896	PTSXLAFMZVZEHB-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@H](C)C(C)C	383649886	HGFUONOANJNBLK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Fc1ccc2ccn(CCC3=CCCCC3)c2c1	385064480	VBKSECJPKGPWMQ-UHFFFAOYSA-N	243.325	4.671	0	10	BJAE	
CCCC[C@H](CC)Nc1ccsc1Cl	387277747	UVSSYNINLVNSAP-VIFPVBQESA-N	231.792	4.782	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC[C@H]1C)C1CCCC1	387552155	UOTKKRVZHNGPPB-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCC(C)(C)CC(C)C	391262867	VJQUJIBMZMHBHE-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)CCNc1ccc(C(C)(C)C)cc1	394462469	SITUIZHMHQBBCY-CYBMUJFWSA-N	233.399	4.832	0	10	BJAE	
Cc1cc(F)c(C(=O)CC2CCCCC2)cc1C	395912667	PVYGKJUCAVKPKE-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCc1c(F)c(C(F)(F)F)cc2ccsc12	396305593	WKRQLEIDDRFZSH-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCCc1ccccc1[C@@H](NC)[C@H](C)C(C)(C)C	399081283	XIZRACWXLDMXFJ-BBRMVZONSA-N	247.426	4.582	0	10	BJAE	
CC(C)(C)[C@@H]1CCC/C(=C\Br)CC1	606291528	RIHDYRRKZYNBNT-PBQZMEPESA-N	245.204	4.892	0	10	BJAE	
CC[C@@](C)(NCCCC1CCCCC1)C1CC1	691508145	JHBQDCOXTVXERA-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@](C)(O)c1ccc2sccc2c1	691819450	AYHUXDOJWWMXNA-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCC[C@H](N[C@H](C)C(C)(C)CC)[C@@H]1CC1(C)C	695154970	YXASYOCGWRPJTE-RDBSUJKOSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CCCC2(CC2)C1	695693136	YSAMBFHPEGDLLF-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)C[C@H](NC)c1cc(C)c(C)cc1C	696160444	WRIUXQMXRNZWTC-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CC(C)(C)CCC[C@H](CN)C1CCCCCC1	696831014	KRWYOYPLJAGPQZ-OAHLLOKOSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCCC[C@@H]1C)C(C)C	704877587	INWSRSZTBUBMEY-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@@]1(C)CC1(C)C	705263417	CUPDCXKFZSSQSY-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CC)CNCC[C@H]1CC=CCC1	706859833	AWMDGBLJURRZMC-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](C[C@@H](N)C(C)(C)C1CCC1)CC(C)(C)C	709203621	UBBIKJGYRUOXRM-GXTWGEPZSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C[C@H](C)C(=O)c1ccccc1)CC(C)(C)C	709271640	JVNSFUGHDVVULW-KBPBESRZSA-N	246.394	4.968	0	10	BJAE	
CCN[C@H](CCCCF)C[C@H](CC)C(C)(C)C	711074221	UEFXEEGHZDZZBJ-UONOGXRCSA-N	245.426	4.567	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC(C)(C)CC)CC1	713145401	IFPSOKITTHWPKG-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
C=C/C=C\CCC(=O)C1CCC(C(C)(C)C)CC1	713737583	JSMSIFOXYANOIE-SREVYHEPSA-N	248.410	4.930	0	10	BJAE	
C=C/C=C\CCOc1cc(C(C)C)ccc1C	713739322	PSBREUXLFYHRNQ-SREVYHEPSA-N	230.351	4.630	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1coc2ccccc12	718506936	OTKIEGYYTIVIJF-OAHLLOKOSA-N	243.350	4.569	0	10	BJAE	
CC(C)=C(C)CCNc1cccc2ccccc12	718551280	FWGGIMSCKRJJBG-UHFFFAOYSA-N	239.362	4.998	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1CCCCC12CCCC2	718565324	HVUOXYULLFKNJA-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CC[C@H](C)C1	718650394	HKXORFACQXHSCP-NUEKZKHPSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H]1CCCCCC1(C)C	719286873	MVEZZJDUQIUQPP-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
OC[C@H](CC1CCCCC1)C1CCCCCC1	829251793	KDCBENANEXAHOU-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCC[C@@H](N)CCC=C(C)CCCC(C)C	1900867958	CUDKFXKDKQLBRA-OAHLLOKOSA-N	225.420	4.667	0	10	BJAE	
CC[C@](C)(O)CCC=C(C)CCCC(C)C	1900903540	PAHXSKWYYKQJMJ-HNNXBMFYSA-N	226.404	4.700	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](NC)C(CC)(CC)CC	1910783179	XIMFUJBCTOOXFT-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC=CCCN[C@@H](C)c1ccc(C(C)(C)C)cc1	1911790170	RZTZLZCBVGQCHD-AWEZNQCLSA-N	245.410	4.601	0	10	BJAE	
Clc1cccc(N[C@H]2CCC3(CCCC3)C2)c1	1916424420	UBSWMYUEVAJZMW-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
CCCCCCC1(CNC2CC2)CC(CC)C1	1921210799	QOFVWPWPNZHKAL-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@H]1CCCC12CCC2	1921587551	XACMFSWJJPAROX-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@](C)(CC(C)(C)CC)C1CCCC1	1924082489	AUJFSRPFBRGTCZ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CCN[C@@H]1C[C@@H](C)CC(C)(C)C1	1926159392	KIGGMNWMDNGYFI-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](C)C(C(C)C)C(C)C	1940246150	NZIHDGMVLWOWPZ-KKUMJFAQSA-N	241.463	4.717	0	10	BJAE	
Cc1cc(C)cc(NCCC[C@H]2CC2(C)C)c1	1940874131	UCNOXKWXZPWGGP-AWEZNQCLSA-N	231.383	4.542	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CCC1CCCCC1	1941263994	QAXMAFRWPUUEEV-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](O)(CCCC2CCC2)C1	1941470009	KOAAPBHAUCMZHG-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
Cc1cc([C@@H](N)CC2CCC=CCC2)sc1C	1941791421	FCRQXJCQUVBCNF-AWEZNQCLSA-N	249.423	4.501	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@H](C)CCC(C)C	1942665703	ZWDZSMGWAVVJSN-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1C[C@@H](C)C[C@H](C)C1	1943035893	GNSZYMLCIJQEHP-STQMWFEESA-N	236.399	4.764	0	10	BJAE	
CCC[C@H](C)[C@@]1(O)CCCCCCCC1(F)F	1947509286	DMEASJHDVIZVOP-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC(C)(C)c1ccc(CC[C@H]2C=CCC2)cc1	1947551005	BFWYSOALTZYCTL-AWEZNQCLSA-N	228.379	4.883	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CCCCC[C@H]1C(C)C	1949088476	VUXRZODNMMSJDT-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCCCCNC[C@H]1CCCC(C)(C)CC1	1950921043	BBNKKPHRIFJMRV-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)C1(CC)CCC1	1951235846	ZVNAZCOUUUAJCX-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC1(C(=O)CC2C[C@@H](C)C[C@H](C)C2)CCC1	1951237160	VRFYWOUSGKBLAV-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCC[C@H](CC)CC1	1967708731	SRDYVGIOFNZESC-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H]1[C@H]2CCCCC[C@H]21	1968271257	SHNRZCUQJVUFKT-ZSHCYNCHSA-N	244.378	4.509	0	10	BJAE	
CCc1ccc(NC(CC2CC2)CC2CC2)cc1	1968314197	QKWUOCIZIWMDPV-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@@H]2C(C)C)ccc1C	1969678933	GHCXEIBEBYQXDV-IAGOWNOFSA-N	245.410	4.794	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@H](C(C)C)CC1)c1ccco1	1969972869	AGIYEDBRRQMBSU-KKUMJFAQSA-N	249.398	4.535	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1CC[C@H](C)C1	1975785065	PGNSMDMCVCGVQZ-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CC(C)C1(CC(=O)CCC(C)(C)C)CCC1	1989448568	VJABWJVIWUWQSX-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CCCC(C)(C)C	1990839919	ZALGZJNDMBQGRE-CYBMUJFWSA-N	227.436	4.569	0	10	BJAE	
CCCCCc1ccc([C@H](O)C(C)(C)C)s1	1991770375	ABVRYTNJMQRGSZ-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
CC=C(CC)[C@@H](CC(CC)CC)NCCC	1992046855	MUVBXWCFDXVESJ-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1cscc1C	1995214346	LGZOXYQMDKCMJM-NSHDSACASA-N	238.396	4.846	0	10	BJAE	
CC[C@H](C)Cc1coc2c(C)c(Cl)ccc12	1995463248	HMMFLPVKGWTLDJ-VIFPVBQESA-N	236.742	4.983	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2CC[C@H](C)C2)C1	1996235288	AOUCVRHLFFKCFR-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CCC2)C1)c1ccsc1	1997041539	BWFRLQQAZFUYHP-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
CCCCC[C@@](C)(O)CC1CC(C(C)(C)C)C1	1998258984	QCCWNHPPNCCXRJ-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)[C@@H]1CCCC(C)(C)C1	2000036375	ZJOSQSIPOYLYJH-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CSc1cccc(C(=O)CC2(C)CCCC2)c1	2000215547	XEXNCHPDHIONBO-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](C)[C@H]1NCC	2002889507	VJCNFMJGLDOYAL-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CN(C)[C@H](C)[C@@H]1CCC[C@@H](C)C1	2002992003	XWBMTFRAXXKNRK-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
CCCCCC1CCC(CNCC(C)C)CC1	2003109897	ZEBFDEAZIQFERZ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C1(O)CCCCCCCC1	2003117442	CDTAFINDZVRMKM-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CC1(C)CCCC1	2003174977	IKUJOSKWELJZBY-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
Cc1cccc([C@@H](N)CCCCC(C)(C)C)c1	2003653819	MKWOZHANVJEGPG-HNNXBMFYSA-N	233.399	4.601	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@H](N)C1(C)CCCCCCC1	2004923137	NRIHPOSJHGPBJN-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](NC)C1(C)CCC(C)CC1	2007693615	GLOVFUBGHDSIQZ-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC1CC(C(C)C)C1	2007757909	AJXWICDSKYXBRD-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H]1CCC[C@H](C)CC1	2007865178	YIBHQAOGNRNPEZ-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CCCC2(C)CC2)CC1	2009404726	QLKGBLAPECZYGK-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC[C@@H](C)CCC1=O	2009412626	ZDVXCBSOUXMCPD-QLFBSQMISA-N	238.415	4.988	0	10	BJAE	
CC=CCCC[C@H](N)[C@H]1CCCC(C)(C)CC1	2009598588	PKUCDKMGSAMSRM-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](CC1=CC[C@@H](C)CC1)C(C)(C)C	2010626805	SHGDRRJHHJUFLT-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](O)CC1CC2(C1)CC(C)(C)C2	2011836826	HKGCKTPJQMDUDC-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2013305417	BUDILRAUCYVZET-XUWVNRHRSA-N	239.447	4.568	0	10	BJAE	
CC[C@@H](N[C@H](C)C1(C)CCCC1)C1CCCC1	2014335033	QHQYDTPWDGDAHW-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
C[C@H](NCC1CCCCCC1)C1(C)CCCC1	2014335603	WHTSASMGMXWCGY-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1=C[C@](O)(CCC(C(C)C)C(C)C)CCC1	2015333228	BYEPNIONGNJOQR-MRXNPFEDSA-N	238.415	4.556	0	10	BJAE	
CN[C@@H](CCCC(C(C)C)C(C)C)C(C)(C)C	2015408472	JSSDBJLQDQIMHK-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CCC1(C[C@]2(O)CCCC(C)(C)CC2)CCC1	2015596870	WPPBLSOVMXZIBD-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@](N)(CC)C[C@@H](C)CC)CCC1	2015649085	WSAAOURDKABWQJ-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@@]1(C)C[C@@H]1C	2016386357	JIJRMTAGRPBPDL-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CC[C@@H]1C1CCC1	2017043920	QWADFUMDRVXDTG-UKRRQHHQSA-N	249.785	4.639	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)[C@H](C)[C@H](C)CC)CC1	2017657384	FBRZTHHWDCADQY-OXGONZEZSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CC)Nc1cc(C)cc(F)c1	2018138948	MOLMIAMMRTVLLQ-AWEZNQCLSA-N	237.362	4.905	0	10	BJAE	
CCC1CCC([C@](C)(O)CC2(CC)CC2)CC1	2018975902	UQMQMIIIYMHSQB-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCCC2(CC)CC)C1	2019186135	KVGBEHAPCIYASZ-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CCCCCN(C(C)C)[C@H]1CCCC[C@@H]1CC	2019202205	WIZTZBOUSLEHOP-HOTGVXAUSA-N	239.447	4.856	0	10	BJAE	
c1cc(N[C@@H]2CCC3(CC3)C2)c2sccc2c1	2021771153	LOMWEBLBFFZWEJ-GFCCVEGCSA-N	243.375	4.646	0	10	BJAE	
Clc1ccc(NC[C@H]2C[C@H]2C2CCCC2)cc1	2022489665	MIVZYTJVXHRANT-DOMZBBRYSA-N	249.785	4.578	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1C[C@@H]1C1CCCC1	2022560080	LQPRMUSDCLGHBT-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CCCCC(C)(F)F	2023293854	BQKSIRRZPVQZRE-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CCC(=CC1CC(C)(C)CC(C)(C)C1)CCN	2024092871	VSEZYCOKGDEQCS-UHFFFAOYSA-N	237.431	4.524	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C)[C@@H]1CC(CC)CC	2024508970	DJYSAFAGEXFGCS-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1cccc(C2CCC2)c1	2028227239	BBQRKODTOBFDGF-SJORKVTESA-N	246.394	4.670	0	10	BJAE	
O=C(CCCCCC1CC1)C[C@H]1C[C@H]2CC[C@H]1C2	2028632253	XTZDDWJESFGMSA-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(CC2(N)CC(C3CCC3)C2)CC1	2029288825	ISZJTXVYVDXNPJ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@H](C)Cc1cccc2c1NCCC2	2029821023	PLJBBNNQWGGKTL-AWEZNQCLSA-N	245.410	4.660	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1ccc(C(C)C)cc1	2029839290	YOYJGUINPDLEOR-RHSMWYFYSA-N	248.410	4.916	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1CC12CCC2	2032141207	JKLAQOKKTPEPOG-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C(C)(C)C2CCCC2)c1	2032346490	NPRSXGGKRNVQLB-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CC(C)[C@@H](N[C@H]1CCCC2(CCCC2)C1)C1CC1	2034363805	OUTGRMGKMVJTKJ-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC(N[C@H]2CC(C)(C)CC3(CC3)C2)C1	2036460054	OAHNDAUMMZWJRG-HLIUYOAVSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)C1CC(C)(CC)C1	2036479847	GRAGHKQCCHHGAA-KZYLPZIUSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@@]1(N)CC(C)(C)CC2(CC2)C1)C1CCC1	2037163077	UCANLRZLYIGZFD-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@H]1C[C@H]2C[C@H]2C1	2038441167	CECSMYCTWZVXBO-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](N[C@@H]1C=CCCCC1)c1cccc(C)c1	2039031753	HRFTWWREYMWCPR-IAGOWNOFSA-N	243.394	4.535	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H]1CCC[C@H](C)CC1	2039362420	IGBIDYZSWBSOCH-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@H](N)C1=CCCCCCC1	2039433158	AEMNEZJVIQWIJZ-HYVNUMGLSA-N	247.426	4.587	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC(C)(C)c1ccccc1	2040715902	DYDKTMVIFGEXKH-HNNXBMFYSA-N	247.426	4.508	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NCCC1=CCCCC1	2041833962	LJTNGUHJJFIVBD-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1(CN[C@@H]2CCCC[C@H]2C(C)(C)C)CC=CC1	2042076336	NCOFOGBYRPJEIF-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CCC1CC1)N(C)C[C@H]1CCC=CCCC1	2045315980	ZOQDJYLEQKCIFH-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NC[C@H]1CCC=CCCC1	2045326022	KCJLCSMQQWNBLK-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1C[C@@H]1CNC1CCC2(CCCCC2)CC1	2045668565	SQTCPYBKFHEQMB-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@]1(C)CC=CCC1)C1CCCCCC1	2047714988	DIOAYCNYHKHAEX-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CCC([C@H](N)c2ccco2)CC1	2049636801	OYQZWJDIZHCQMY-XUJLQICISA-N	249.398	4.666	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC1[C@@H]2CCCC[C@@H]12	2049647761	VTEAUSFQMGHTNW-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@@H]1CCCC2(CC2)C1	2049855897	MZZCOMFAVPRSAL-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@@H]2CCCC3(CC3)C2)C[C@H]1C	2049856191	OAHQJNQTUSKAQC-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)CC1CCC2(CC1)CC2	2049858106	OHMCLVGANASSCI-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2049861220	UFIRHQDZYMPOFX-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCC1(CNCC2CCC3(CC2)CC3)CCCC1	2049864867	KPFRLKYHESDBIH-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(CCNC2C3CCCC2CCC3)CCCC1	2050040893	BCJQHVZAHKFQBE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](CNC(C)C)c1ccccc1	2051405499	DRXFRCZUHLLYHZ-KRWDZBQOSA-N	245.410	4.515	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1ccc(F)cc1C	2051406202	VDDKMOAZGSJUTQ-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC(C)c1ccc(NC2CCC(C)(F)CC2)cc1	2053900780	BUYNPKFXZWPIPY-UHFFFAOYSA-N	249.373	4.893	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC)C[C@H](CC2=CCCC2)C1	2055026125	FQPYIFPFIVCRSA-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCC1CC(C[C@]2(N)C[C@H]3CCCC[C@]3(C)C2)C1	2056640349	OMSSZIHLMGKCRH-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
CCC1(C(=O)CC2CC(C3CCC3)C2)CCCC1	2056667469	GQXJTJHCVWEHEG-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@@H]2CCC[C@@H]3C[C@@H]23)C1	2057356454	DHQJGGVDDHFOOR-HNLJFRNMSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H](CC)c1ccccc1	2059259246	NFKOSCOYVHDNLW-SJORKVTESA-N	245.410	4.515	0	10	BJAE	
CCC1CCC([C@@](C)(N)C2=CC[C@@H](C)CC2)CC1	2060914377	RHDZPCJCVGWMEU-LYSZQXJVSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H]2CCC[C@H](C)CC2)CC1	2061079775	BXZTZUJVLHYLDL-KLZNWCGWSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)CC2CCCCCC2)CC1	2061150688	NEKBASZRXXSCQE-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC(C)C1CCC(N)(CC[C@]23CCC[C@@H]2C3)CC1	2061614078	CIVDPVXDFQFRQR-GMRIPVOYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C2CC3(C2)CC(C)(C)C3)C1	2063817121	IOFBMYJSLZEDPZ-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC1CCC(CN)(CC23CCC(CC2)CC3)CC1	2065329986	YCDCRVFGQCQTSB-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC1([C@](C)(N)[C@@H]2CCC3(CCCC3)C2)CCCC1	2067529756	KORRIBRHLSCMKD-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@@H](C)C2(C)CCCC2)C1	2067570607	NXBULWMKFXMNSH-BPUTZDHNSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@H]1CCC12CCCCC2)[C@@H]1CCC1(C)C	2068350641	GOYMZJLWIKKBMY-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC[C@H]1CC12CCC2)CC1CCCC1	2069172828	CZADQUKDONRBLD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC1(N)CC2(CCC(C)(C)CC2)C1	2070975788	NCPOYJXIDJUUAU-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC12CCC2)C(C)=C(C)C	2072424606	LADXOJOLYVPXBI-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@@]1(CC2(CC)CC2)CCCC12CCC2	2074624336	QJHOHIBQONPCET-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc([C@H]2CCCCN2CCCC(C)C)o1	2075100215	AGOHHRLEQNFGDI-OAHLLOKOSA-N	249.398	4.551	0	10	BJAE	
CC=C(CC)C[C@@H](NCCC)c1ccccc1F	2077193831	DJEVBLILQIFNHF-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@](O)(CCC)c1ccccc1	2079552026	BTPRLRAPHDHFPK-HLLBOEOZSA-N	246.394	4.501	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CNc1ccc(C(C)(C)C)cc1	2079622108	ZJLFREVXRINXHY-CJNGLKHVSA-N	245.410	4.688	0	10	BJAE	
N[C@H](CCCC1CC1)C[C@H]1C[C@@H]1C1CCCCC1	2079668425	AFQVHFAMVVIUBJ-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2C[C@@H]2C2CCCC2)CCC1	2079864565	MSZBIUQOIHCZEX-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)C[C@H]1C[C@H]1C1CCCCC1	2079864930	NKVAXMBFXAFOBD-JKIFEVAISA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@]1(N)CCCC12CCCCC2	2079885208	KJCDCHPNVSLYDY-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2081790704	YPTOKVFLIPDLIH-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)C2(CC3CC3)CC2)C1	2082986192	LGODWFCWHGCVQB-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
Cc1csc(C(=O)CC(C)(C)C(C)C)c1C	2210577735	LBNGAPXPHBVLPZ-UHFFFAOYSA-N	238.396	4.620	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NCCCCCCC1CC1	2213572321	USZZTWTWBSXGOY-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H]2CC[C@H]2C)CC1	2215058439	CPOYWAJANGJJSJ-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@@](CO)(C[C@H](C)CC(C)(C)C)CC1	2215839688	XJYXLVLRTZFDDL-ZBFHGGJFSA-N	238.415	4.558	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H](C)CC)CC=C(C)CC1	2217126812	CBDIBKJXRRREPP-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@]1(CN[C@@H](C)CC)CCCC12CCC2	2217134307	CJXFHFBAYIIDJU-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
N[C@H](CC1CCCC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218353940	MWNPNZVTGYACIV-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C(=O)C/C=C/c2ccccc2)CCC1	2219086654	FDDDNVAAYMQYPL-UXBLZVDNSA-N	242.362	4.629	0	10	BJAE	
C(CCCNC1[C@@H]2CCCC[C@@H]12)CCCC1CC1	2223156040	XNNWONTUWFQTRH-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1ccc2occc2c1	2224132941	ZKJSTJOYGLEILJ-ZBFHGGJFSA-N	246.350	4.539	0	10	BJAE	
CC(C)CCCC(=O)CCCC[C@@H]1C[C@H]1C	2243039677	MTVQXZDHRWJZSD-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CC1CC(C)(C[C@@H](O)C2(C)CCCCCC2)C1	2246520701	VPDWAKSXRFGKHX-SHARSMKWSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)CCC2(C)CC2)C1	2246677549	CYOQEQZFUSOEBW-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)C[C@@H]1CCC1(C)C	2247304222	SJNRKZQCEUGMFS-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@](C)(CC)CCCCC[C@H]1C[C@@H]1C	2248854821	QIRVPPASXQTZHZ-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
C[C@H](Nc1cccc(C(C)(C)C)c1)C1CCC1	2249233191	IOZDITTWUPOEIL-LBPRGKRZSA-N	231.383	4.585	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@H]1CCCC(C)(C)C1	2250356529	QZGPHHQAVATURB-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@H]1CCC=CCCC1	2250371926	NSXMNGWNIOVAJB-HRCADAONSA-N	238.415	4.700	0	10	BJAE	
CNCCC[C@@H](C)CC[C@H](C)CCCC(C)C	2250468554	FGODTEXIPZGLNQ-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CC(C)(C)CCC1(C)C	2251666602	RBXGXYXJISANBZ-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](Nc2ccccc2)C1	2251672569	DKIAHHXLCKSLHC-CQSZACIVSA-N	231.383	4.703	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCC(C)(C)C2=O)C1	2251712117	LTSVXTAGKHTHRJ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(CN2CCCC23CCCCCC3)C1	2253758042	OMEORUZNKVQDOJ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)C[C@H]1CCCCC12CC2	2253780686	IEXLCQNSRNRJRV-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
C(CCNCC1CC2(CCCC2)C1)CCC1CC1	2254072016	LMJFNMTUTRYFAS-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC1CCC(NCC2CC3(CCCC3)C2)CC1	2254073620	VVDPWPUVRNZYKI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1C[C@H](N)C1(C)CCC2(CC2)CC1	2254955816	YEJKWOAWVNBPLC-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC[C@H]1CCCC12CC2)c1ccccc1	2255273842	QXWJIEZPMJSAPG-HNNXBMFYSA-N	242.362	4.620	0	10	BJAE	
CCCc1ccc(CN(C)[C@@H](C)[C@H](C)CC)cc1	2256318064	PJGSGKDYCTWORE-CABCVRRESA-N	247.426	4.506	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)C[C@@H]2CCC[C@@H]2C1	2257317669	YWVKCZNGJHIQJE-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CC[C@]3(C)C[C@H]23)c1	2257907769	RYFNGLHFBZSEHS-BFYDXBDKSA-N	243.394	4.585	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@]12CCCC[C@H]1CC2	2260501864	QDHUHTNDGJKXFU-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@]23CCCC[C@H]2CC3)C1	2260522750	YFJHAHOCPDTLFA-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@]12CCC[C@H]1CC2	2260659199	UTHDHTSQSPLDTR-VYDXJSESSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CC[C@H]1C(=O)c1cccc(C2CCCC2)c1	2260729094	ISBSAGBDMQOPNR-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
C[C@@H](N[C@H]1CC(C)(C)CCC1(C)C)c1ccoc1	2261392538	OPWUYAZFLQICQG-OCCSQVGLSA-N	249.398	4.535	0	10	BJAE	
CCC[C@@H](CC[C@@]12CCCC[C@@H]1CC2)NCC	2298714146	CUGZZNCWLJOORS-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)CC1CC(C)C1	2300689322	WWDZNSZWLXFIDB-BCLQGDPASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)C1C[C@H](C)C[C@@H](C)C1	2300697513	PULYHPPWYNDMQS-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC(=CC[C@@H]1C[C@@H](C)C[C@@H]1N)CCCC(C)C	2300905242	WYAVFXKIDHFUQO-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CC2CCCCCC2)C1	2301139549	HKEHDBULVFUVAU-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
Cc1ccccc1-c1nc([C@H]2C[C@H]2C)c(C)s1	2301187994	GWYXHMBVTUPXHM-MFKMUULPSA-N	243.375	4.550	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@@H]2CCCC23CC3)n1	2302262670	NYMXMSQWAVGJKG-WDEREUQCSA-N	247.407	4.704	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@@H]1CC[C@H]1C(C)(C)C	2303474729	ZTFHZFNLPXEADB-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@H]1CC[C@H]1C(C)(C)C	2303511685	GWWIEBDULMPCDC-XJKCOSOUSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](C)(CN)C[C@@H]1CCC(C)=C(C)C1	2303516164	MXUIPCWFVWBOME-CVEARBPZSA-N	237.431	4.668	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H]1CCC(C)=C(C)C1	2303524627	SIWGLXJGTCEJCZ-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](C)[C@H](CC)CC[C@H]1CCC(C)(C)C1	2304411728	MEZWLRKUYBFIPR-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC(=O)c1cc(C)ccc1C(C)C	2307562035	ZMRKRSGQFGPOOU-UHFFFAOYSA-N	230.351	4.657	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1CCCC2(CC2)C1	2307760476	IFVMRZQZLAYDPL-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC[C@@](N)(C[C@@H]1C[C@H]1C1CCC1)C1CCCCC1	2311515912	XKOGHSLIUPHDGA-BHYGNILZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(C[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCCC1	2313187484	WSGHKWHPEYZCAK-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]1CCC[C@H]1C[C@@]12CCCC[C@@H]1CC2	2313333119	FDFHNDGHPDLJCR-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCCCCN1C(CC1CC1)CC1CC1	2313599088	WXMHMMBRXUKWLQ-AWEZNQCLSA-N	249.442	4.610	0	10	BJAE	
C[C@H](CC1CCC1)C1(N)CC(C2CCCCC2)C1	2313659013	DGPWQKWLDBQTNP-NVPAJSRCSA-N	249.442	4.501	0	10	BJAE	
CC(=CC=C1CCCC[C@@H]1CN)CCCC(C)C	2316535673	JHQGWKUDARQCAY-QGZVFWFLSA-N	249.442	4.834	0	10	BJAE	
N[C@@H](C1CCCCCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316791241	MURFYIBFMCESSE-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1[C@H](O)[C@@H](C)[C@H](C)C(C)C	2317834527	KDRAYDFGZPWCGI-JKIFEVAISA-N	248.410	4.601	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@H]1C[C@H]1C(C)C	2317929873	PFVMESWUFJCZSR-DOMZBBRYSA-N	249.373	4.653	0	10	BJAE	
COC(C)(C)c1coc2ccc(C(C)(C)C)cc12	2318312319	VWRSEUOUXUXNPL-UHFFFAOYSA-N	246.350	4.612	0	10	BJAE	
C[C@@](N)(CCCC1=CCCCC1)[C@@H]1CC12CCC2	2318543353	YYGURYAGLVNJIG-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1CN(CCCC2=CCCCC2)CC(C)(C)C1	2318577138	VKCFDIZSKKAWPB-OAHLLOKOSA-N	249.442	4.635	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)[C@H]1CCC12CCC2	2318583311	NSLXDUOSPYHRME-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@H]1[C@H]2CCCCC[C@H]21	2318883018	PJAXDRHDCCUZHT-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C23CCC(CC2)CC3)C1	2319137069	YSSPQAOFFPUONE-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2CC[C@@H]2C2CC2)CCCCC1	2319581804	RUWAFHJORGBBHP-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@](N)(CC2CC2)C2CC2)CCC1	2320627723	YEHPQFSMIKSKNF-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC12CC([C@H](N)CCC3CCCC3)(C1)C2	2321591016	ZWANMIJMQBUBBL-KLAILNCOSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccc(C)c(N)c2)c1	2327781109	HNULABMWEFEDGW-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C)[C@@H](NC)c1ccccc1	2328278188	WQTQEXPRVXNFCG-HLLBOEOZSA-N	247.426	4.800	0	10	BJAE	
Cc1ccc(Oc2ccc(C)c(C)c2)cc1C	2168775	WALWGRCDMVAPAF-UHFFFAOYSA-N	226.319	4.713	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cc(Cl)cc(Cl)c1	21011828	IMUMPLHXHJNCOM-BDAKNGLRSA-N	246.181	4.840	0	10	BJAE	
CC[C@H](C)c1cccc(C2CCCC2)c1O	33611093	BMHWAWBPZQGJIJ-NSHDSACASA-N	218.340	4.563	0	10	BJAE	
Clc1cccc(-c2ccc3ccccc3n2)c1	34605806	GNQSSPFXDYWTSY-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CCCC(=O)c1ccc(-c2cccc(C)c2)s1	36927446	WFMONPOMKXDTTA-UHFFFAOYSA-N	244.359	4.706	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)c1ccsc1	71085205	APEAJJGWDQAUDI-OCCSQVGLSA-N	239.428	4.615	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCC[C@H](C2CC2)C1	81629174	UZGLPSOTPBUNNL-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
CCCNc1c(C(C)C)cccc1C(C)C	83350158	JWHYDLLGHLZSNM-UHFFFAOYSA-N	219.372	4.755	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@H](C)C[C@@H]2C)cc1C	85084994	JGHVZEBTJQPLDT-PJODQICGSA-N	231.383	4.540	0	10	BJAE	
CCCCCC[C@H](CCCC)NC(C)C	86315590	JEXFAJZQCMOZOK-AWEZNQCLSA-N	213.409	4.514	0	10	BJAE	
CCCC[C@@H](CNCC(C)C)c1ccccc1C	93106170	GEBVIBSHVXPOCE-INIZCTEOSA-N	247.426	4.514	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCCS[C@H]1C	94475401	PHBZOBDPTUGEMR-JSGCOSHPSA-N	249.423	4.506	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CCC(CC)CC1	103935077	LYFRCEHQUOUXJE-HWOWSKLDSA-N	239.447	4.891	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1CCC[C@H](C)C1	103943470	QXSVLTVKVQXRSE-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C1CCCCC1	109726772	CLAJYSINPJQONM-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@H]1CCC[C@H](C)C1	109735320	HGGFZYCMBQIBBB-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1ccc2ccccc2c1)[C@@H](C)CC	111274932	URVFVQFHVUERIE-GUYCJALGSA-N	241.378	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1ccc(C)c(C)c1	124552854	ITIZKKZSALQTQX-NVXWUHKLSA-N	247.426	4.910	0	10	BJAE	
CC(C)[C@H](N[C@@H]1CCC(C)(C)C1)c1ccccc1	124971365	DLPYBCZRDAQDID-CVEARBPZSA-N	245.410	4.552	0	10	BJAE	
CC(C)CC[C@H](CNC(C)(C)C)C1CCCC1	128325518	UBARKWSGIWHWKQ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@H](C)CCC(C)(C)C	128637536	OWLZJOXADDXWKV-GDBMZVCRSA-N	247.426	4.800	0	10	BJAE	
Cc1cc(C)cc(Cn2ccc3cc(C)ccc32)c1	129585860	ZKGJEXOFENSCLH-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1cccc(C2CCC2)c1	133548436	QFDXVKUFMOWRHE-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCN[C@H]1CC[C@H](C)c2ccc(C(C)(C)C)cc21	136927703	WDSGSJZUXVTKPR-LRDDRELGSA-N	245.410	4.532	0	10	BJAE	
C/C=C/CCN[C@H](C)c1ccc(CC(C)C)cc1	161698597	YTVVRRJVFRZLJY-LLYBFZRZSA-N	245.410	4.502	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CC2CCCCCC2)c1	161909583	IRNXSWVTKVSKSA-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1C)[C@H](C)C(C)C	163459613	CXFWJWHLXHGDMN-RHSMWYFYSA-N	247.426	4.636	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cc(N)ccc2F)cc1	164440286	MEKJLHIEQCFNBL-NSHDSACASA-N	243.325	4.588	0	10	BJAE	
CC(C)CCCNc1c(Cl)cccc1Cl	165261548	QLADREPYEVEJPU-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@H]1CCCC(C)C	166353381	UWCVKOQJELPEMY-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)c1c(C)c(C)c(C)c(C)c1C	167631345	CAIWJHGVSVDIJX-QLJPJBMISA-N	248.410	4.698	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CCC2CCCC2)cc1C	168694698	RWQVLIJUICJQOV-KRWDZBQOSA-N	245.410	4.582	0	10	BJAE	
CC1=C[C@@H]([Si](C)(C)C)C=C[C@H]1[Si](C)(C)C	196752960	QOZWKQQNRNOUAR-QWHCGFSZSA-N	238.523	4.919	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC2CCCCC2)C1	203289472	WEVFSDMQRQCIEB-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1=CCCCCC1	203425389	RXBZWMGUSMKCST-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)Sc1ccc([C@]2(C)CCS2)cc1	212039103	LTVFQTWZAQOCAU-ZDUSSCGKSA-N	238.421	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2CCC[C@@H](C)C2)C1	226989350	YEKMKDASFUDEHD-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCc1ccc([C@H](C)N[C@@H](C)C[C@H](C)CC)cc1	228140383	WYGFXKWROQNHSS-ILXRZTDVSA-N	247.426	4.724	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@H]1CCC[C@@H](CC)C1	228769061	LCJGGHHLWQAMON-KBMXLJTQSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC(N[C@@H]2CCC23CCCCC3)C[C@H](C)C1	230171691	IIFXFWKRACRFNW-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(CCC(C)(C)C)C1	230790059	ZIWOYHWIVPFUSP-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](O)(C[C@H](C)CC(C)C)c1ccccc1	302299060	HCONGVNKUGUSDW-WBVHZDCISA-N	248.410	4.747	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)c1ccc(C)c(C)c1	302312174	GAWBLLGTRKWFFT-RHSMWYFYSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@H](C)CC(C)C)C1	302339485	LUSCTRAXQHQSSA-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1c(C)cccc1C)[C@@H](C)CC(C)C	302564540	NIZOLPOSLJSDPC-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H](C)C(C)(C)C	304248288	GJOXXXIRQSJHLY-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@H](CCC1CCCC1)CC(C)C	305907488	DGWMSPUUGXUBKU-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
Fc1ccc2scc(C(F)F)c2c1Cl	306572586	HPFRZIKABXTWFS-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
Clc1cc(Cl)c2scc(Cl)c2c1	306841331	DOZWSGDFQSKLNR-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)CCCC(C)(C)C	308036171	YSZUZZIHEKUSOX-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CC1CCCC1)NC	308051391	MEMTTYPSDISRDF-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NCC)c1ccccc1	308080110	NFEVLMUPLFTPCC-SJORKVTESA-N	247.426	4.800	0	10	BJAE	
CC(C)NCC[C@H](C)CC1CCC(C)(C)CC1	310489825	GXHJBDWPUKBKAL-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)([C@@H](C)CC(C)C)C1	310496822	KRYXYLUXRKIZQE-JYJNAYRXSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc([C@@H](O)[C@@H](C)C2CCCCC2)c(C)c1	311236713	WPMONDATTNZXGE-YOEHRIQHSA-N	246.394	4.553	0	10	BJAE	
Cc1cscc1N[C@H]1CCCC12CCCCC2	313100285	GUTPNSDFUOZNTM-AWEZNQCLSA-N	249.423	4.971	0	10	BJAE	
CC[C@H](C)[C@@H](C)n1ccc2ccc(C)cc21	319737338	XJBPYSHFISUARN-QWHCGFSZSA-N	215.340	4.557	0	10	BJAE	
CC(C)(C)[C@H](N[C@@H]1CCC12CCCCC2)C1CC1	324467536	ZEWMERMJUSRLEL-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C1CCC1)C1CC1	324986348	UWXVWEQVYGQWNL-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CCc1ccc(NC2C[C@H](C)C[C@@H](C)C2)cc1C	380654082	DYZDVUQLKREKGJ-CHWSQXEVSA-N	245.410	4.794	0	10	BJAE	
Cc1ccc(F)c(NC[C@H](C)C2CCCCC2)c1	381298442	BLBLZEUWBRGMJO-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
Cc1ccccc1N[C@H]1C[C@H](C)c2ccccc21	381298550	ZPAGIXLCFQRWEV-GUYCJALGSA-N	237.346	4.655	0	10	BJAE	
Cc1cccc([C@H](N)CCCCCC(C)C)c1C	383220615	COWSRCUQSJOCSA-QGZVFWFLSA-N	247.426	4.910	0	10	BJAE	
CC(C)CCCCCC1(N)C[C@@H](C)C[C@H](C)C1	383224256	SIKPQZIDFKDPTA-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCC1([C@H](O)CC2CCC(C)CC2)CCCC1	383446896	GGACIOHAHRRODP-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C)/C(C)=C\[C@@H](C)C1CCCCC1	383565928	BBORONQMOBGMLV-QETREBILSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CNC(C)(C)C)C[C@@H](C)C1CCCCC1	383990845	LOGNTFWMUZNSSU-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CN[C@H](C)CCC(C)(C)C)CC1	384170779	WNLIMMQVEXRYCV-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1C(=O)CC1=CCCCC1	384458635	MCPWZOJUDKSQNU-UHFFFAOYSA-N	242.362	4.712	0	10	BJAE	
Clc1ccccc1OCCC1=CCCCC1	385120060	FKBYEXWNSGWHHC-UHFFFAOYSA-N	236.742	4.609	0	10	BJAE	
CCCCCCC(=O)CCC1=CCCCC1	385811927	QHUHSEFJFAQZLH-UHFFFAOYSA-N	222.372	4.807	0	10	BJAE	
Cc1cc(F)cc(NC[C@H](C)C2CCCCC2)c1	386170792	HFPRZXNGLHNZAV-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
C[C@H](CN[C@H]1CC12CCCCC2)C1CCCCC1	387374413	XWWCWGXODFLYIW-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2C[C@@H](C)[C@@H]2C)cc1	394041057	FFBJOPROQOQPDS-JKIFEVAISA-N	245.410	4.876	0	10	BJAE	
CCC(C)(C)CNc1ccccc1C(C)(C)C	394554185	CZGMJFRKIOVACZ-UHFFFAOYSA-N	233.399	4.832	0	10	BJAE	
CCC(CC)(CC)[C@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	395133420	SSVWDSJKPJLREC-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
CCc1ccc(C(F)F)c2c(CC)csc12	396165816	GGBMTGNFGAUWOR-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCC(C)(C)C1CC1	405759045	VDPZXCAXRRDYSI-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C1CC1)CC(C)(C)C	405832485	TZMLZXNFCNVATD-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(CC[C@H](N)CC1CCCCC1)C1CC1	405878959	NVSWDBUBYJXDCV-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCC1CC1)CC1=CCCCC1	405966581	CXBQEWJXZCFECR-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CCCc2c1[nH]c1ccc(C(C)(C)C)cc21	527397212	WGNVOTRECJTYPV-NSHDSACASA-N	241.378	4.905	0	10	BJAE	
CCCC1(CNc2c(C)cc(C)cc2C)CCC1	687523397	ZAKDFRFTBZYPGW-UHFFFAOYSA-N	245.410	4.994	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H](CC)CC(F)F	688731602	SNMPXNRPHXSGGQ-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCCC1CCC(C(=O)CCCC(F)F)CC1	688852931	DUGVHPMCNRQZIQ-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
C/C(=C\Cl)CNc1ccc(C2CCC2)cc1	690152385	LUDJVLLKLRXZDO-PKNBQFBNSA-N	235.758	4.509	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1NCC1=CCCCC1	691086027	YVOPOPWLIIQQLB-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)CCCC(C)(C)C	691133196	HWECGEDOIFJETF-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)c1ccccc1C	696220582	ZKVCBVCPUSUHRO-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCC(C)(C)CC)C1	696802164	JJWUVILBDALPHP-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCC(C)(C)CC)C1	696806880	OVJITTKXEWVTMI-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C1CCC(C)(C)CC1	697759266	MPXQRUIPVMKCHI-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@H](CCC=C(C)C)NC	697777265	IESCAJOJZCAHNX-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H]1CCCC[C@H]1C	704841451	GBAGYZBGOIXWAB-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]([C@@H]2CCCC[C@H]2C)Nc2ccccc21	704879421	QDMMMKONQGKQKL-VMUDFCTBSA-N	243.394	4.801	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2CCCC23CC3)cc1	706214894	ITROMNAQNFXYIY-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H](C)CC(C)C	708316523	BMQAMUFEJTXDQC-ILXRZTDVSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](CC(C)(C)CC(F)F)NC(C)C	710444553	JLAUHXDELJOZSQ-GFCCVEGCSA-N	249.389	4.615	0	10	BJAE	
CN[C@H](c1ccccc1)[C@@H](C)C[C@H](C)C(C)(C)C	710759157	DVUDANFZVHRQJD-DZKIICNBSA-N	247.426	4.656	0	10	BJAE	
C[C@@H](C[C@H](O)c1ccc(C2CC2)cc1)C(C)(C)C	710784836	GAVURZNDPZTXFL-LRDDRELGSA-N	246.394	4.670	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H]1CCCCC1(C)C)C(C)(C)C	711155052	ZLVPLFUDYOLWHL-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C1CC(C)(C)C1	713160711	XXKRJUHVRALVEB-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCCC2CC2)c(C)c1	716398307	MMCLNHIFWDBHPK-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](CC)CC1CCCCC1	720941782	XHHPHMIMCBGPCW-CVEARBPZSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCCC1=CCCC1	720954702	LLQQTUCESGQNJE-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CC1CCCCC1	720975875	CIMDIYJPBCKRPO-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC(C)N[C@@H](C)c1ccc(Cl)c2ccccc12	1193693349	DOYPEKIPXWZJDN-NSHDSACASA-N	247.769	4.552	0	10	BJAE	
Cc1sccc1-c1ccc2cccc(C)c2n1	1240498931	JYYKTAOWOQOXJD-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
C/C(=C\Cl)CSCC(C)(C)CC(F)F	1613733963	CDWUZCGNFFYXPN-VMPITWQZSA-N	242.762	4.544	0	10	BJAE	
CC(C)(CCNC1(C2CCCCC2)CC1)C1CC1	1648570854	TZPFRMRKDJVGPV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN(C1CC1)[C@@H]1CCCC[C@H]1C1CCCCC1	1652619793	DMMNBOLEABLFCD-DLBZAZTESA-N	249.442	4.610	0	10	BJAE	
CC(C)C[C@H](C)S[C@@H]1CCc2ccccc2C1	1656716808	AYDVQQNCCLZCOA-XJKSGUPXSA-N	248.435	4.712	0	10	BJAE	
CCCC1CCC(CN[C@]23CCCC[C@@H]2C3)CC1	1658429968	ANMRLVKEHXBVGP-BACDZXNISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC(C)=CCl)cc1	1889824640	PWALVVCOLJREFY-GFCCVEGCSA-N	238.758	4.722	0	10	BJAE	
CCC(C)=CCC(CC)(CC)CNC(C)C	1900823039	MHYATPPYGMGULV-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(N)CC2(CCCCC2)C1	1912727518	LPYCXUIZXMCPKK-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc([C@@](O)(CC)C[C@H](C)CC)cc1	1919968694	CMURCEINWYZNFC-RHSMWYFYSA-N	248.410	4.673	0	10	BJAE	
CCCCCC[C@H](NCCC)C1CC(CC)C1	1921261667	LOKMFIFSMBWGAA-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)[C@@H]2CCCC23CCC3)C1	1921586563	OQKAXSLJLQIWNF-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@@H](C)C1CCCCC1	1924104263	JRIJICAQIXCWIF-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
Fc1cccc2c1ccn2C[C@H]1C=CCCCC1	1925790447	BJNDKFGZNFMXQZ-ZDUSSCGKSA-N	243.325	4.527	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C12CCC(CC1)CC2	1925794471	NRQWCQYGFQFQRZ-CKDBGZEDSA-N	246.394	4.662	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H](CC)C(C)C	1936211503	XKRYXQYQXAHNNP-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CCCCCC1CC1	1936414174	BWVQOULKRFGDCK-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(O[C@@H]2CCCC[C@@H]2C)c(Cl)c1	1936612106	DLDQYBDCTUKUFG-WCQYABFASA-N	238.758	4.606	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)C(C)(C)CC	1940405899	BDSRENIRGPLDMV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC(=O)CC[C@@H]1CCCC1(F)F	1940732737	GZUBPURAZSBEFQ-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)C1CCCCC1	1940874907	GSLKOCZLHOEEPK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(O)CC1CCCCC1	1942653017	MXFXVHNPJCTGLM-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1C[C@@H](C(C)C)CCC1=O	1942664544	XRRKOBXCYORIBW-SOUVJXGZSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@@]12CCCC[C@H]1CCC2	1944155101	BFBABKDJVYZKAX-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)CCC1CCCCC1	1944846494	PMRLKHJBQPMYIQ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](CN)CC[C@@H](C)C1CCCCC1	1945764061	WTVPEIKMAVXLTG-CABCVRRESA-N	239.447	4.604	0	10	BJAE	
CC[C@](O)(CCC(C)(F)F)CC1CCCCC1	1947998826	WSQGFRWVBXTANU-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@H](CC[C@@H](C)C1CCCCC1)NC	1948422611	IKEUJNXVGOZMIN-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C(C)(C)N[C@@H]1CCC2(CCCC2)C1	1948676066	RNGQFUYKNVTDQS-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@](C)(N)CC[C@H]1C[C@@H]1C1CC1	1949011961	RBEMAYKKUZIZDA-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NC1CC(CC)(CC)C1	1963174489	OESGBOVNJAJGRV-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCC[C@H]2C2CC2)CC1	1966050329	ZMGSVXUBOGIVHP-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCN(Cc1ccc(C(C)C)cc1)C1CCCC1	1969061786	QJUKIRVOKKNOTK-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CCCC1(C(=O)CC(C)(C)C(C)C)CCC1	1978424119	ABJUWWSCFCEZTG-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)CC[C@H](O)c1ccc(Cl)cc1	1980681947	QEYOXLKRSCXLEW-FZMZJTMJSA-N	240.774	4.590	0	10	BJAE	
CC=CCCCC(=O)c1ccc(C)c(Cl)c1	1984578758	JFISGRHYUUHWLR-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H](C)CCCC	1984636097	WFCKYOPUOIIKRH-ZRJDUIELSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@@H]1CC[C@@H](C)C1)C(C)(C)C	1996264019	CHLJLQGKSACBLA-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CC1CC1)Nc1ccccc1SC1CC1	1996547535	GIPONSQNZFWJMC-LLVKDONJSA-N	247.407	4.542	0	10	BJAE	
CCC(C)(CC)[C@](C)(O)C1CCC(C)(C)CC1	1996554393	SKUXBRFOHASRII-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCSc1ccccc1NC[C@H](C)C1CCC1	1996570169	LOCYEAXLRKDOTC-LBPRGKRZSA-N	249.423	4.647	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCCC(F)F)CC1	1997103867	IBFWQEMCHFKIHN-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@@H]1CCC=CCCC1	1999992866	IWOIQNLLSBDLNQ-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)C2CCCCC2)C1	2000059868	UMLCZBAPROFRCI-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@@H](C)[C@H](C)CC	2000507410	GBPJLMJAPVXCIC-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
O=C(c1cccs1)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2001495719	ZFOROAWABJWEGS-FRRDWIJNSA-N	248.391	4.537	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002220124	CCHXDAVZCJSWIG-ZSHCYNCHSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@](C)(O)C1CCC(C(C)C)CC1	2002924994	LTRACLDCNSYYFP-UYSNPLJNSA-N	240.431	4.636	0	10	BJAE	
N[C@@H]1CCCCCCC[C@H]1CCC1CCCC1	2003118903	UBOSDCLPIOZUPA-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@@]1(CNC(C)(C)C)CCCCC1(C)C	2005597232	PUMSLBLXFKIJSJ-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](CCCCCC(C)C)C1	2006662790	DLZMXBYBKUJQMH-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CN[C@@H]1CCC[C@H](CCCCCC(C)C)[C@H]1C	2006979271	LZKHNNSFVLHKKZ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)C1(C)CCC(C)CC1	2007689053	OCVLEZUSXOVFKQ-FYRZTWFESA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C1=CC[C@H](C)CC1	2010625918	WPEJPXVUUOWXJH-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C[C@H](N)C1=CC[C@@H](C)CC1)C(C)(C)C	2010627102	ZNVHSELEOZRNRP-YUELXQCFSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@H](NCCC)C1=CC[C@@H](CC)CC1	2010711616	BXSZXEWOAQXAHC-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H](C)CC(C)(C)C)CC1	2010763506	LKGWFTQSDFOFSV-UMVBOHGHSA-N	237.431	4.523	0	10	BJAE	
CC(C)CC(N)(CCC[C@H]1C[C@H]1C)CC(C)C	2011580310	BHCWBQXRDVKPQA-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@H]1CC12CCCC2	2013266917	LVFDLBQDGSZAEF-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)Nc1cc(F)c(C)c(F)c1	2013714486	MRYKQMATANEDDH-NSHDSACASA-N	241.325	4.654	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)CC(C(C)C)C(C)C	2015379172	XVXCSQYULVSXJP-HIFRSBDPSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C)CCN(C)CCC(C(C)C)C(C)C	2015389201	TVXYJBWAJLOUOV-HNNXBMFYSA-N	241.463	4.673	0	10	BJAE	
CCCC1(C[C@H](O)C[C@@H](C)C(C)(C)C)CCC1	2015632948	FJZCZLIGQMAMNX-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@]2(N)C[C@@H](C)C[C@@H](C)C2)CCC1	2015641550	GOOYLUXMRNCGLG-MIFYACCESA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@](C)(N)[C@@H](C)CC(C)C)CCC1	2015643709	FRYQFQMHXXBSOJ-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCCC1(C[C@@H](N)CCC2CCCC2)CCC1	2015643786	GOJBSFWNUVLBJK-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](NC)[C@H](C)CC)CC1	2017724162	MHGRRYDZMNWIFT-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@](N)(CCC)[C@@H]2CC2(C)C)CC1	2018975791	PZMDDFLGFVKMSX-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2019127110	RHBJFUZGWOYMHY-FXUDXRNXSA-N	239.447	4.712	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H](C)C1CCC1	2019355982	YUAJXCKBYCQHNB-ZBFHGGJFSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)CCN1CCC[C@@](C)(CC)CC1	2019376339	LJBZTGNSMOKBKJ-MRXNPFEDSA-N	239.447	4.715	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H]1C[C@@H]1C(C)(C)C	2022488701	DOWHKBSFFBPFPL-ZQDZILKHSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1C[C@@H]1Cn1ccc2c(Cl)cccc21	2022549132	FPBVZYDZSKBPTM-VXGBXAGGSA-N	247.769	4.731	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N(C)CCCC(C)(C)C)C1	2025615100	RSSURJHZCVZGHX-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CC1(c2nc(C3CCCCC3)cs2)CC=CC1	2026605568	RPENKKVFVWCGOV-UHFFFAOYSA-N	247.407	4.799	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1C[C@H]2CCC[C@@H]21	2027316069	GLWLYEUTLUGXEY-HYVNUMGLSA-N	241.378	4.555	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)c1ccc(C)cc1	2027829460	BPARJUREAIMOBB-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCc1ccccc1[C@H](N)[C@@H](CC(C)C)C(C)C	2028254114	CWFGPOOLJKRRML-IRXDYDNUSA-N	247.426	4.567	0	10	BJAE	
CCc1ccccc1[C@H](N)CCCCCC1CC1	2028630817	JPVGPRUBSOMXJG-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1ccccc1CC(C)C	2028918412	MSANDTDLYUFMRV-WMLDXEAASA-N	248.410	4.745	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)C2CC3(CCC3)C2)C1	2031827921	PQFPMYLHOOOGGU-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@]1(CNC1CC1)C1CCCCC1	2032104486	PTUKKVHGINERRI-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC2CCC3(CCC3)CC2)[C@H]1C	2032254326	BPRNDMKUKHMDFX-SQWLQELKSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC(CNC2CC2)(CC2CCCC2)C1	2036487855	XVMMFJLUUCFKNF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)CCC1CCCC1	2037105924	VLUQYLSAGHKDEK-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
C[C@@](N)(C1CCCCC1)[C@H]1CCC2(CCCC2)C1	2037591040	ZIWCXZOPJNQOAL-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)CCNC1CC2(CCC(C)CC2)C1	2038918580	GSAANLQJKUROHR-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CNC[C@@H]2CCC=CCCC2)C1	2045328131	BJUWNMMEFROWQQ-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC1(CNC[C@H]2CCC=CCCC2)CCCCC1	2045332663	QRMNJNNCRRISII-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCC[C@@H](C(N)(C2CCC2)C2CCC2)C1	2045401739	TUULESSCCXALRL-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCCC(=O)[C@H](c1ccccc1)C(C)C	2045674023	QUTMTJVIEJSNQO-KRWDZBQOSA-N	244.378	4.742	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)C1(C(C)C)CCC1	2045731906	CMADPXXXNIPFDU-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H]1CCCC[C@H]1CC	2045793598	IOTUVKHGBXVTFP-ZACQAIPSSA-N	249.442	4.703	0	10	BJAE	
CCC1([C@H](N)C[C@H]2CC23CCCCC3)CCCC1	2047011457	XNPRQPNEBFPHKE-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@H]1C[C@]1(N)CCCCC12CCCCC2	2047560276	DJIMCJPPXACINK-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1[C@H]2CCCCC[C@H]21	2048383381	YKPKDIIVHJAWNZ-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H](C)c2ccoc2)CC1	2049411861	LMHAOZVMVYRBAM-HESLUPGFSA-N	249.398	4.535	0	10	BJAE	
CCC1CCC([C@@H](C)Nc2ccc(F)cc2)CC1	2049418829	UTDMBCUTWKKHOO-IYXRBSQSSA-N	249.373	4.843	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@@H]2CCC[C@H](C)C2)cc1	2049538523	ZLLBMKPQJYCHAY-SQWLQELKSA-N	245.410	4.876	0	10	BJAE	
CC[C@](C)(CNC1CC1)C[C@H]1CCCC2(CC2)C1	2049848149	HISPQRFXMCKNKF-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@@H](CC2CCC3(CC2)CC3)NC)CCC1	2049857038	PLMLEENBYDIMKC-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@H]2CCCC3(CC3)C2)C1	2049952654	YWRDQWJXXZTAJR-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@H](CC)C1)[C@]1(C)C=CCC1	2050007321	PRWPCQFMUTUZSH-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1CCC(CC)CC1)[C@]1(C)C=CCC1	2050008951	WHSFYHSOTNKZJC-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@]1(CN)CCCCC12CC2	2053419902	WFCQJGORGVWCIX-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CNC(C)(C)C)C1CC=CC1	2053694809	PRAQSPDVDUNEJL-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@@H]2CC3CCC2CC3)C1	2055123696	LHRPYALXXNVVGW-UHEATSNUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](Nc2ccc(CF)cc2)CC1	2055676515	BSJTZONUWGGNKT-AWEZNQCLSA-N	249.373	4.927	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H]2CCC[C@@H]2C(C)C)c1	2056449344	IONXAPZHHRWMGF-HUUCEWRRSA-N	244.378	4.558	0	10	BJAE	
CC[C@H](NCC1(C)CCC(C)CC1)c1ccco1	2056533937	JCEQCRWXFJISKT-BBBYJDLNSA-N	249.398	4.537	0	10	BJAE	
CCN[C@H](CC1CC(CC)C1)[C@]1(C)C=CCCC1	2056651223	OSRNRANDGNDXIC-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(=O)CCC2CC(C(C)C)C2)cc1	2056673516	MWHQNWDZXNNXKF-UHFFFAOYSA-N	244.378	4.640	0	10	BJAE	
CCc1cccc(CC)c1NCC1CC(CC)C1	2056719553	UCDGSWXUOBKQLT-UHFFFAOYSA-N	245.410	4.660	0	10	BJAE	
N[C@H](CCCCCC1CC1)C[C@@H]1CCC[C@@H]2C[C@H]12	2057361899	UBONEUQNBLAUTL-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@@H]1CC12CCCCC2	2059184212	QTJIITMMSZULTN-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N[C@H](C2CCC2)C2CC2)C1	2059391443	BZZDZQZIFXLBJK-QWFMPGPPSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)[C@H]1CCC(C)(C)C1	2060921435	LIVGUOUDANKHDJ-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@H](NCC)C1CC(=C2CCC2)C1	2061735170	VVJGFBKLNGGNCV-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCC1([C@@H](N)CC2CC(=C3CCC3)C2)CCC1	2061740515	ZPORPSJCNOUWNF-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063535906	NJKVFSZLGUYMKO-MUJYYYPQSA-N	244.378	4.509	0	10	BJAE	
CC[C@@H]1CC[C@@H](N)[C@H](CC23CCC(CC2)CC3)C1	2065338926	WBCCPHDMCATNDO-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068698346	JIKVILYLJZBQMM-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068782377	SZKQUOJKKQYNNI-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)c1cccc2ccccc12	2068846408	YMCCYYYBNRNINJ-DYVFJYSZSA-N	242.362	4.555	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C1(CC2CC2)CCC1	2069522807	AXYAKRUCJFNWMT-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1C)C[C@@H]1C=CCCCC1	2072074712	CPMITNNVRSAJLB-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@H](N)C[C@]23CCC[C@@H]2C3)CC1	2072797248	XSLUNTYXHWFGRU-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)C2CC3(CCC3)C2)CC1	2072802815	BLVSTPURDNHSSU-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCC(CC)CC1)c1ccoc1	2072810331	VOQSQNVNESIJGL-ZBCRRDGASA-N	249.398	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CCC3(CC3)C2)CC1	2072876211	XLHUZXZKVFNTNN-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCc1occ(C)c1C(=O)C[C@H]1CC[C@H](C)CC1	2072879313	PUFRDNXNZUYQDH-AULYBMBSSA-N	248.366	4.550	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@]23CCCC[C@H]2C3)C1	2074114437	RQGHDWFERMOHHN-AESZEHBQSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](NCC)c2ccc(C)cc2)CC1	2074643567	HBXFUKMSXQPQFC-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCC1CCC(C=C2CCNCC[C@@H]2C)CC1	2076323757	WZNBXHURHPJQGP-FHERZECASA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CCC3(CCCC3)C2)[C@H]1N	2076399372	BJSOVFBWPONRJB-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CCC1)c1ccoc1	2077264110	KCJJAQOZTNYAOH-GFCCVEGCSA-N	241.334	4.720	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@@H]1C[C@H]1C(C)C	2079428877	SHMDDMWRIIEAMY-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC1(CCC[C@H](N)[C@@H]2C[C@H]2C2CCCCC2)CC1	2079433889	CKINMTZAITWVAL-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1C[C@@H]1c1ccccc1	2079557376	IWNXBEYEKXKTBM-GVDBMIGSSA-N	246.394	4.512	0	10	BJAE	
O=C(C[C@H]1C[C@@H]1C1CCCCCC1)C1CCCC1	2079842630	OZEYLKTZGRUJBK-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
C(CNC1CCC2(CCCCC2)CC1)=C1CCC1	2081678752	PUMJGZJUNYZOMD-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CN[C@@H]1CCC(C)(C)C[C@@H]1C[C@H]1C=CCCCC1	2083034937	DVDDELRWGRDZIZ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H](N[C@H]2CCC3(CCCC3)C2)C1(C)C	2084354511	CAVUCTDANBLSQE-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCC1CC(CCN[C@@H]2CCCCCC23CC3)C1	2084918858	YCLVYMYDUHYXQZ-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC[C@H]1C[C@H]1CC	2211590727	JCSKZPOVFFBNRQ-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213275621	PRMLGOPHXKXVOP-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC1CCC([C@@](C)(N)CCCCC2CC2)CC1	2214563311	PFEBZRCSWJGYNU-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1C[C@@H]1CCN(C)CC(CC)(CC)CC	2215369170	NAALQBXQMULWNR-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C(C)(C)CCC	2216277031	FHNWBCYUILHPHE-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCNCC(CC)(CC)CCCCC(F)F	2216426372	CHVASCRMPWKFLQ-UHFFFAOYSA-N	249.389	4.618	0	10	BJAE	
CC(C)CCC[C@@](C)(CNC1CCC1)C(C)C	2217123993	CVYBUZLSDFXODJ-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](n2ccc3cccc(F)c32)C1	2220307418	JYKXACDOCPPDPQ-ZDUSSCGKSA-N	245.341	4.922	0	10	BJAE	
C[C@@H]1CC[C@H]1CC1(CNC2CC2)CCCCCC1	2220659175	IUYXECIFYHIQKE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C1(C)CC2(CCC2)C1	2221001069	GJNKQJNQODLAKW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@]1(C)CC=C(C)CC1	2221615115	KHCBYMVNHOVDGR-DLBZAZTESA-N	247.426	4.612	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)[C@H](C)C1CCCCC1	2222007454	ULUUNEOVPVIBOH-PBHICJAKSA-N	246.394	4.553	0	10	BJAE	
CN[C@H](CCCCCCCC1CC1)C1CC=CC1	2223117750	AQXUQFQDBWXPRS-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)NC[C@]1(C[C@@H]2CCC[C@H]2C)C=CCC1	2223588142	GIRQDLPEAWBWMD-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(CNC2CCC2)(C2CCCC2)C1	2223603747	CFYNZLYJQITNNB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)c1cccc2ccoc12	2224179716	DHGWFSBXSKFZKD-HIFRSBDPSA-N	245.366	4.505	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1cccc2ccoc12	2224196968	YJRVJIPEKBDLBR-DOMZBBRYSA-N	246.350	4.539	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC[C@H]1CCC[C@H](C)C1	2246729686	CIQHSESUAPAJJT-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H](O)C1CCCCCCC1	2247309933	XRLYMUTYDXBCEJ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@@H](N)CC(C)C	2250478826	MRJHWIHPKMGRFV-HZPDHXFCSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@@]1(C)C[C@@H]1C	2250480915	JFCHGJUNAAARGQ-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](C[C@@]12CCC[C@@H]1CC2)NC	2251157516	ISIZKWGHJCQYIH-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
C1CCCC(NCC[C@H]2CCCCC23CC3)CC1	2253858151	TWWCDQHPWALFFH-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@H](C)C1)C[C@H]1CCCCN1	2253998935	WGIQTFJODUQNSB-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@](N)(C2CCC2)C2CC2)C1	2254000671	GEZONNYVCFGHRR-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(CC1CC2(CCCC2)C1)C1CCCC1	2254110639	XRJFGVNWEGZDHV-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C1(C)CCCCCC1	2255140775	NQZTTWDYGAVIRW-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C[C@@H]2CCCC23CC3)C1	2255230752	ZEZUGSYDXAZFDY-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)CC[C@@H]2CCCC23CC3)C1	2255283304	XRTJQHRPQZPYJZ-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CC[C@H]2CCC[C@@H]2N1	2257302400	VOBHLVBAAGAEBY-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(NC[C@H]2CCC3(CC3)C2)cc(C)c1C	2258233705	QWVDSJURNCYHQG-HNNXBMFYSA-N	243.394	4.604	0	10	BJAE	
CCC(C)(C)CCNc1cc(C2CC2)ccc1F	2259114390	ZEEKJKKFZNOVQX-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
CC1CC2(C1)CC(C[C@@](C)(N)CC1CCCC1)C2	2259572231	PQMKWXGBCAGKFR-LYOOIAODSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@]12CCC[C@H]1CC2	2260492286	QMJVJRPJVAYKEC-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1CCC(N[C@@]23CCC[C@@H]2CC3)CC1	2260538275	HKMADWNGTKCDBF-CLKYRPBMSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@]23CCC[C@@H]2CC3)CC1	2260572602	BXVJXEUEAAAIBH-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1cccc(CC2CC2)c1	2260832973	ZTQOYBWOVIHDDL-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCC(C)(C)CC(=O)c1cccc(CC2CC2)c1	2260905644	SSCOFSRUIOKWIA-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1CC)C(CC)CC	2298128082	SKFTWWOQTXMGEF-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CC)C(C)(C)CCC	2298183534	SCUOLHNGVICYEE-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	2298413246	GUERZPZOMWJWMC-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@]12CCC[C@H]1CC2	2300495935	DJLGVOXOTWDATH-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCCNc1cc(C2CC2)ccc1Cl	2300672458	WFVYHSPZEXYVRC-NSCUHMNNSA-N	249.785	4.986	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)CCC1CCC1	2300675177	BROAHWQKODWZJE-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(=CCN(C)C1CCCC1)CCCC(C)C	2300883386	FCOXRHYBTLVHDV-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCC(C)=CC[C@]1(N)CCC[C@@H](C(C)(C)C)C1	2300902654	WZWFIJUPBUHUSK-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CC(=CC[C@@](C)(N)CC1CC1)CCCC(C)C	2300903132	ARVUWMNMUPXEMT-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CCC1(CC)CC(N)(CC2CCCCCC2)C1	2301141475	ZHMOLHNWQCNEPV-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC[C@](O)(CC1CCCCCC1)[C@@H]1CC1(C)C	2301211562	SONUQMITUXWGFK-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@@H](C)[C@H](C)C(C)C	2301900478	SZGHWSLHCOOYEI-QXSJWSMHSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@H](CCC[C@@H]1C[C@@H]1C)NC	2302608142	HIHPGQALTRIOQO-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@H]1CCC(C)(C)C1	2302710718	SQRMPWAXZMVAGK-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@@H]2CCCC[C@@H]21	2302892511	MFBCATVCYYDPOT-MELADBBJSA-N	249.423	4.691	0	10	BJAE	
CCc1cscc1NC[C@H]1CCC=CCCC1	2302893410	VCQMKUFFMPMOFG-ZDUSSCGKSA-N	249.423	4.859	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCCC[C@H]2C[C@@H]21	2302994630	UMHKFRRICICGQE-SGMGOOAPSA-N	249.785	4.639	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@@H]1CC[C@@H]1C1CC1	2303010702	FUDQYOTVEKQYLR-GOEBONIOSA-N	234.383	4.518	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303504740	YUNHVSQOEOOXPG-WOSRLPQWSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)CNC[C@H]1CCC(C)=C(C)C1	2303597971	XADHBWIFMCSTCL-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H](CC1CC1)C1CC1	2303845185	LXLUDVVOSIAZCB-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)c1nc(C2CC3(CC3)C2)cs1	2304394615	SHLKTIKJTBEJBF-UHFFFAOYSA-N	249.423	4.734	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C(C)(C)C2CC2)C1	2304427992	IRGLPMUWDRDAQB-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1c1nc([C@H]2CC23CCC3)cs1	2304488377	ZZFDZDRVSDEQEH-IJLUTSLNSA-N	247.407	4.704	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1N	2307900156	UHFANABIHGTWEF-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@H]1C[C@@H](CC)CCC	2307902521	LFSYGAXRGYZXQP-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@H]1C[C@@H]1C1CCCCC1	2311610708	ASJXOQGPNANHEJ-VWNJHIHFSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)C1CCCCC1	2312903610	RUQSNRCNMMDRCK-LUYZLQTOSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(C[C@@]23CCCC[C@@H]2CC3)C1	2313349218	URUBDAHIZHOJGE-YVSFHVDLSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CCN([C@@H](C)CC2CCC2)c2ccccc21	2313654525	KEWMUALQOMVIAQ-KBPBESRZSA-N	243.394	4.579	0	10	BJAE	
CCCN[C@H]([C@H](C)CC1CC1)[C@@]1(C)CC=CCC1	2313660580	KGCMJCKFWIHZKH-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H](C)C1CC(C)C1	2315880651	HOHMMMASKLFFFS-UGWHAMFMSA-N	245.410	4.965	0	10	BJAE	
CCC(C)=CC[C@@H](C[C@H]1CCCCC12CC2)NC	2316535162	FVSXZBIPUDGWEX-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1C1(N)CCC2(CCCCC2)CC1	2317079023	GIAMQCAOMWHAFI-FICVDOATSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CCC[C@@H]1C[C@H]2C=C[C@H]1CCC2)NC	2317147703	FSGRLJBCLVIOJL-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@H]2CC[C@@H]21	2317922121	FZVRWRJUPSBTHF-BYCMXARLSA-N	247.357	4.550	0	10	BJAE	
CCN[C@@H]1CC[C@](C)(CCCC2=CCCCC2)C1	2318582630	FTIPHZACJBZJQV-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@H](CN[C@@]23CCCC[C@@H]2CCC3)C1	2319014846	YSAGQTBPDNURBQ-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)C[C@@H]2CCC(C)(C)C2)c1	2319079241	KIPDHRUOPQUOKA-HOCLYGCPSA-N	246.394	4.553	0	10	BJAE	
CC1=C(C)C[C@@](N)([C@H]2CCC3(CCCC3)C2)CC1	2320264725	ARMREIKFEBDKLG-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](C[C@H]1CCC(C)=C(C)C1)NC	2320326931	IWNGOVSDWMCIBW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H]1C[C@H](C[C@@H]2CCC(C)=C(C)C2)CC[C@H]1C	2320389207	YDRFNAYMFGVWAN-MXASKKJJSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](NCC)c1ccccc1	2328272439	FZTZJBGOCCZTNV-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccc([C@@H]2C[C@H]2C)o1	2328278418	QDUDKSGSKDTVCW-XJFOESAGSA-N	249.398	4.619	0	10	BJAE	
CCCC1(c2ccccc2)CCCCC1	59340820	HDSAFUWBFABACP-UHFFFAOYSA-N	202.341	4.689	0	10	BJAE	
CCCc1ccccc1NC(=N)C1CCCCC1	62993171	RQLDXMDBCLJEGC-UHFFFAOYSA-N	244.382	4.609	0	10	BJAE	
CC(C)c1ccc(COc2ccc(F)cc2)cc1	70238305	NENCOMMTGSCBGW-UHFFFAOYSA-N	244.309	4.528	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@@H](C)CCC	70745732	CSQVGBHAWFSNRJ-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H](C)c2ccc(C)cc2)C1	71118144	VDYLYNNSWAINKB-YQQAZPJKSA-N	245.410	4.614	0	10	BJAE	
Cc1ccsc1C(=O)CCC1CCCCC1	71126406	CRJMKHQVJPTOKV-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCC(CC)Nc1c(Cl)cccc1Cl	75168247	TYMMXBGBBCRDAA-UHFFFAOYSA-N	232.154	4.594	0	10	BJAE	
CSc1ccc(N[C@@H]2CCCC(C)(C)C2)cc1	79970684	JWLFGWSEIGXQFW-CYBMUJFWSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](C)c2ccc(C)cc2C)C1	80457463	WXSWYZNJPRTAIM-XHSDSOJGSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@H](C)C[C@@H]1C	85088024	PIVNBDSAWUCLMF-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@]1(O)CCC[C@H](C(C)(C)C)CC1	87187944	FVNULPWUKGVBFB-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1CCc2[nH]c3c(Cl)cccc3c2C1	87818865	QWFOYHOWAJVPJP-SNVBAGLBSA-N	247.769	4.726	0	10	BJAE	
CCc1ccc(NCC2CCCCCC2)cc1	89556982	HEFIDEWLICHVSP-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CC/C=C\C[C@H](CCC)c1ccc(O)cc1	107553583	XTERWBPNTCMQDG-SZZPACECSA-N	218.340	4.632	0	10	BJAE	
C/C=C\C[C@H](C)c1ccc(C(C)C)cc1	107635360	VYMSLROOPDSOKH-SZZPACECSA-N	202.341	4.880	0	10	BJAE	
C(=C\c1ncc(-c2ccccc2)o1)\c1ccccc1	107778228	GVUCQXXIFUSPLQ-QXMHVHEDSA-N	247.297	4.512	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)Cc1ccc(C)cc1	109713865	AYRDMKLIOSLPQJ-NVXWUHKLSA-N	248.410	4.505	0	10	BJAE	
Fc1ccc(-c2cccc3cccc(F)c23)cc1	112733528	XDIHDMCNRFHFSL-UHFFFAOYSA-N	240.252	4.785	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)C1CCCCCC1	124202553	CPQNQVFLAZSADY-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC(C)NC[C@H](CCC(C)(C)C)C1CCCC1	128267609	NNWMQISMLJNGOE-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](c2nc(C(C)C)cs2)C1	131953850	IJPSSITYMUGCSX-QWRGUYRKSA-N	223.385	4.560	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@H](C)CCN	144175088	ALJKZCYRWUOLTM-GJZGRUSLSA-N	227.436	4.604	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](C)C2CCCCCC2)C1	149902612	GTVJAXADGBXNEB-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
CCC1([C@H](CC2CCCCC2)NC)CCCC1	161049407	FJHPLHVWWRHMMH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C1C[C@H](C)C[C@@H](C)C1	161236290	HXVDECLCLIOOOU-CKEIUWERSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@H](CC1=CCCCC1)NCC	161342790	BTKNGWYHUIDHSP-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C1CCC(CC)CC1	166186332	OBSMESGCJOWXKJ-SHARSMKWSA-N	238.415	4.988	0	10	BJAE	
CCCC(CCC)[C@@H](N)C1CCC(CC)CC1	168789159	SZDOSNMHSBCOCX-AVVWSFFYSA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@@H]1CCC[C@H](CC)C1	169190021	LJVJPPCDOOVUIZ-NUEKZKHPSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@@H](O)CC1CCCCC1)c1ccccc1	203687653	FSJMHCXREDOYBT-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
CCCC[C@H](NC(C)C)[C@@H]1CCC[C@@H](CC)C1	222194080	HDFMWFXNSGBJIB-OAGGEKHMSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC23CCCCC3)c(F)c1	230163029	VQZGFMONAJBCFD-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CCCCC[C@]1(N)CCC[C@@H](CC(C)C)C1	230790047	ZJHXYAVCDPGQLV-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1ccc(C)cc1Cl	233331875	ONZRZSGUTKZWNI-HZMBPMFUSA-N	240.774	4.508	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC2(CC)CCC2)CC1	233922187	TZTRYDFYHFRVQS-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CC[C@H](C)CC2)CC1	253142482	XTDKGWSPEVYBPG-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)c(C)c1	253179760	DBGNDGPFPJEBSK-NHAGDIPZSA-N	244.378	4.558	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CCC[C@H](C(C)C)C1	305910852	FMMHBVWMCSNKQI-HRCADAONSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(C)c([C@](C)(N)CCCC(C)(C)C)c1	305943114	RUJZGDNJAXXVRZ-QGZVFWFLSA-N	247.426	4.694	0	10	BJAE	
Cc1ccc(Cl)c2sc(C(F)F)cc12	306905721	XQTLRXZMKZGFTM-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)c1ccc(C)cc1C	308048117	FCUWMCGFRWPYOE-DOTOQJQBSA-N	247.426	4.766	0	10	BJAE	
C/C=C\CCN[C@@H]1CCC[C@H](C(C)(C)C)CC1	310046444	OPQARDZATPOVDG-RWCKICOTSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)([C@H](C)CC(C)C)CC1	310197959	AWFUBIITLXZBBY-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)C[C@@H](C)C1CCCCC1	310242661	ITXKKNCWVMNYSG-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1(C)CCCC1)NCC	310501676	IDIBBFONSWPBEK-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1C2	314533537	ALGLDOIQRVPJLU-ASHKBJFXSA-N	249.785	4.577	0	10	BJAE	
CCCCCC[C@]1(CNC(C)C)CC=CCC1	317587213	NZYZOQRLEJRQGL-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CN[C@H](CCC(C)C)c1ccccc1C(C)C	379992007	UFYREFWMMGTEKI-MRXNPFEDSA-N	233.399	4.507	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C(C2CCC2)C2CCC2)C1	380581220	ATXULHLMIZJSEU-WFASDCNBSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](NCCC1=CCCC1)c1cccc(C)c1	380745838	MDDICXNCWCXQOS-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)[C@H](C)CC(C)C	380865255	ULMOOALFSIIPLQ-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCC[C@@H]1C	383229202	TWIZKHPADNZEGV-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]([C@H](C)CC(C)C)C1	383693086	QWZPHTFDXYHQJW-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C[C@@]2(O)CCC[C@H](C)CC2)CC1	383938545	UQVSKTKQUAUCHI-SLTXQBBLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H](N[C@@H](C)CC(C)(C)C)CC(C)(C)C1	384500147	OYIZPRCEPNVTTH-RDBSUJKOSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H]1CCCC[C@@H]1C	384519545	JNTBZGZYALFSND-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N)ccc1-c1ccc2ccccc2c1C	384704877	LBZHCARNZKXJDM-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
C[C@@H]1CCc2cc(CCC3CCCC3)ccc2N1	385315325	FIUFMPYUXVUCAY-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CCCCC1)c1ccco1	386571099	XMDNZCBHVZTPIC-UKRRQHHQSA-N	249.398	4.537	0	10	BJAE	
Cc1cscc1NC1CCC2(CCCC2)CC1	387233406	VSFGZXPFFUGWTF-UHFFFAOYSA-N	249.423	4.971	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H]1C[C@@H]1CC(C)C	387958224	CVIHEPNBBNDHKW-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@@H]1CCCC1(C)C	389001430	QRVUNKBFCODTKC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@H]1CCC[C@H]1C	394144364	NMWSPNYMSGIFMW-KMFMINBZSA-N	245.410	4.507	0	10	BJAE	
CCC[C@@H](CC)NCC1(C)CCCCCC1	394542694	BWIOSHJSKXJZNZ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](O)CCC1CCCCC1	395023111	NUTVMRJLMHNGNX-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C1CCCC(=C2CCC[C@H]2[C@H]2CCCCN2)CC1	395087600	SMUWAALQQDTQHU-IAGOWNOFSA-N	247.426	4.579	0	10	BJAE	
CCc1csc2c(C(F)F)c(F)ccc12	396206461	BGOYAPITXMXKJD-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC[C@H]1CC)c1ccccc1	396474481	VVDUOJVLNSOSFL-OIISXLGYSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H](Nc1ccc(C)c(C)c1)[C@@H]1CC1(C)C	397650360	LRDCXYRHVUAKQB-LSDHHAIUSA-N	231.383	4.540	0	10	BJAE	
CCCCC[C@@H](CCC1CCC1)NCCC	398627996	NIGWOOGRRYZRHG-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](C(=O)C[C@@H](C)C1CCC1)c1ccccc1	398736893	KVYSFZGHXYKFTP-CZUORRHYSA-N	244.378	4.576	0	10	BJAE	
CCC[C@](O)(CC)c1ccc(C)c2ccccc12	399907890	GKYZMVSDZABFFG-QGZVFWFLSA-N	242.362	4.546	0	10	BJAE	
CC[C@H](C)c1ccc(OCC2=CCCC2)cc1	401116015	PYHZNCAQBHLKFJ-ZDUSSCGKSA-N	230.351	4.689	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1NCC12CCCCCC2	401660771	PJTRHSFHFCIUAI-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1(C(=O)CCCC2CC2)CCCC1	405879390	UUJNFRKCBDTYNJ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)COc1cccc(N[C@H](C)C(C)(C)C)c1	687710912	HAADAWWVFMGDFZ-CYBMUJFWSA-N	249.398	4.568	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H](CC)CC(F)F	688831740	CJCHEYCPOFKIGP-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
CC(C)CCCCCC1(CN)CC2(CCC2)C1	691460068	XRVKDOIYKIWMNH-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1cccc(C(C)(C)C)c1	691699086	MYKIRSAXGHZAET-CZUORRHYSA-N	248.410	4.700	0	10	BJAE	
CN[C@@H](CC1CC=CC1)C1(CC(C)C)CCCC1	692100563	AMPNTDYAPRHMCW-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1NC1CCC2(CC1)CC2	695687464	DEMNBUXHMTZCLZ-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccc(C(C)(C)C)cc1	697292801	SBZFBVRKMXDLPC-OAHLLOKOSA-N	248.410	4.844	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1cc(C)ccc1C	697775937	XEIXCSIAVOVPNA-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C(C)(CC)CC	701147161	YSHHSDIHMAPLGI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](O)c1cccc(C2CCC2)c1	703968106	IWIYCQJXUZVEGN-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CC(C)CCCCNc1cccc(C(F)F)c1	703969167	NRTFMLRYRCEYPL-UHFFFAOYSA-N	241.325	4.862	0	10	BJAE	
CC(=O)c1cccc(S[C@H]2CCCC[C@H]2C)c1	704910991	YCRDPQOXOGFEAV-ABAIWWIYSA-N	248.391	4.560	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(N)CCC23CCCCC3)C1	705267089	PSSAASGBZFJXEB-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@H](C)CC(C)(C)C	708299246	VAJIWXHZMJPMAJ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC(F)(F)C(C)(C)CC(=O)[C@@H](C)CC(C)C	709074282	IEQSPWKTZGDNFN-NSHDSACASA-N	248.357	4.699	0	10	BJAE	
CCCN[C@@H](C)C1(C[C@H](C)CC(C)(C)C)CC1	709106036	VGQZHWHLLFFCRT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCNCC1(C[C@@H](C)CC(C)(C)C)CCC1	709109620	WWACJCALPCOALB-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC(C)C)[C@@H]1CCCC(C)(C)CC1	710052610	DCQDPFVKZOEGBW-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](F)c1cccc2c1NCC2)C(C)(C)C	711131396	WYTJGNGFVGQMDW-BXUZGUMPSA-N	249.373	4.738	0	10	BJAE	
CN[C@H](CCC[C@H](C)C(C)(C)C)c1ccccc1	711238210	BBNVYPUUBHCIPA-GOEBONIOSA-N	247.426	4.800	0	10	BJAE	
CCc1cccc(C)c1NCCCCC1CC1	720135870	INXAQKNFTYPMKG-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCC1(C)CCC1	720985715	CVFOVLRWAOCHNH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cccc(C(C)C)c1	721749898	SNAZOXNJUKOLLM-HNNXBMFYSA-N	233.399	4.636	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@@H]2CCC[C@H]21	722074760	JQNRLPBZOZIABT-YSVLISHTSA-N	243.394	4.630	0	10	BJAE	
CCC(CC)[C@@H](NC)c1cccc(C(C)(C)C)c1	821964140	UXGGOHMMGHDIPK-MRXNPFEDSA-N	247.426	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](NCC23CCC(CC2)C3)CC1	1474096114	ADUMMURHJZWQOM-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC1CC2(CCCC2)C1)C1CCCCCC1	1560741470	CGPYLFVXZNDEEP-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)N(CCCC(C)(F)F)CC(C)C	1615764979	GEFQCFNGWVACIT-UHFFFAOYSA-N	249.389	4.568	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2CCCC23CC3)CC1	1656755400	OXHXXIVGVWSHIQ-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)SCc1c(F)cccc1Cl	1775954273	BYFBUYQKPDFDRS-UHFFFAOYSA-N	232.751	4.511	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(OCC(C)C)cc1	1857847929	MBYCMMHTZHTXGN-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
CCCCCCc1csc(C(F)F)c1	1889480530	ADQXKGWQSGCDID-UHFFFAOYSA-N	218.312	4.809	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1(C)CCCCC1	1900694209	WSBSAGGEKIHFTM-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](NC)c1ccc(C)s1	1900698168	SUDDVXKKAAUZSQ-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)C[C@H](C)C(C)(C)C	1901682737	POJJONDSNFIDTF-RWMBFGLXSA-N	226.404	4.556	0	10	BJAE	
Cc1sccc1-c1nc(CCC2CC2)cs1	1901908606	MQBUPMCARXBCRF-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1CCC(C)(C)C1	1902268659	DJGIGLQDGZELIX-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(C)CCC[C@]2(C)O)CCC1	1909633106	RRWKLQAFTVDCOP-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H]1C[C@H]1CCC	1910643082	LAMOVMZMXRFEOE-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC=CCCNCC(C)C	1911854269	QJOGCNOBFJUHIN-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CC(C)CCCC1(CO)CC2(CCCCC2)C1	1912561591	IJDXXVCYMVANQZ-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@@H](C)C1CCCCC1	1924136656	UMBZYARKIOBBQB-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
O=C(CC(C1CC1)C1CC1)C[C@@H]1C=CCCCC1	1925736291	IRUYFRBDVGFTAU-CYBMUJFWSA-N	246.394	4.518	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C[C@@H]1C=CCCCC1	1925799996	XAWYLUIZXSPLKB-BZUAXINKSA-N	237.431	4.523	0	10	BJAE	
Cc1cccc(C[C@@H]2C=CCCCC2)c1C	1925815544	XOCVPMICWLMPOF-OAHLLOKOSA-N	214.352	4.592	0	10	BJAE	
Cc1ccc(C[C@@H]2C=CCCCC2)c(C)c1	1925819884	NBVHACQEXPZSEW-OAHLLOKOSA-N	214.352	4.592	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)C[C@@H]1C=CCCCC1	1925947194	YWOSPLDPNFHBSR-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)C[C@H]1C=CCCCC1	1925949483	RQYFBIFDUQKZRW-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](O)C1CCCCCCC1	1940168344	YUTXLLKTXJMRDU-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC1(C)CCCCC1)NCC	1940417555	WWBGGRRJYICWPU-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC[C@](N)(CC)C1CCC(C(C)(C)C)CC1	1941153496	ANSCNQAAVWVQJA-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCCCCC1CC1)C1(C)CC1	1941587389	RWXXLSCEPADOLG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(CN)CCC=CCCC1	1942657639	FPCJFAVKWIIMLB-HOTGVXAUSA-N	237.431	4.524	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1CCC(F)CC1	1944535007	OBTNJOPOOWMTLC-ROKHWSDSSA-N	242.378	4.546	0	10	BJAE	
CC[C@H]1CCC[C@H](NC(C)(C)C2CCCC2)C1	1945382740	QDBIYZRXBLXLJM-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC[C@@H]1C(C)C	1947528161	YAZBFKLZLGPOPO-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
C1=C[C@H](CNc2cccc3ccsc23)CCC1	1947605983	YWGAPGVTMPJYHI-LBPRGKRZSA-N	243.375	4.670	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)CCCC1(C)CC1	1949054519	MKTBEHYNKPUFBB-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@H](O)[C@@H]2CCC[C@@H](C)CC2)CCC1	1950911243	MYMCDFDOOGKQQQ-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
C=CC=CCCC(=O)[C@H]1CCCC(C)(C)CC1	1950919463	PCPOYYMRLVSSNL-AWEZNQCLSA-N	234.383	4.684	0	10	BJAE	
CC1(C)CC[C@H](COc2ccc(Cl)cc2)C1	1962979465	ADVIOLYINTUYJM-NSHDSACASA-N	238.758	4.545	0	10	BJAE	
CC(C)(CCNC[C@@H]1CCC=CCCC1)C1CC1	1967813444	BIMPJNHNMIQVEC-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@H]1CCCC12CCCC2	1969958313	FXDUTEDQGMSRIY-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](NC1CC(CC)(CC)C1)c1occc1C	1972936607	NBUDIKWABQHYLX-AWEZNQCLSA-N	249.398	4.598	0	10	BJAE	
CCC[C@H](C)CN(C)CC1CCC(CC)CC1	1973575943	NIINLXAVYKZJCP-FHERZECASA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCCC(F)(F)C1	1974283506	DPBHMJKGOMFVIQ-QWHCGFSZSA-N	247.373	4.513	0	10	BJAE	
CCCC(C)(C)[C@H](N)CCCCCC1CC1	1976003770	QKLZBQNWSHHIIZ-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccc(Cl)cc1	1978451981	SZTCPGZTMIDCCG-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CCCC[C@](C)(N)C1CCC(CCC)CC1	1980234894	UTJOJSPFOPGEKI-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@H]1CCCC(C)(C)C1	1980273333	CTLOBEDRCOWPGA-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)CC[C@H](O)c1cccc(Cl)c1	1980679490	ASASZOKVQYJVIC-FZMZJTMJSA-N	240.774	4.590	0	10	BJAE	
CC=CCCCc1cccc(CC(C)C)c1	1984610152	KOKOQYARNLSFPN-UHFFFAOYSA-N	216.368	4.784	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](CC)CC1CC1	1990092968	GGBSPYHAHZJXKV-CABCVRRESA-N	225.420	4.514	0	10	BJAE	
CC1([C@@](C)(O)CCCC2CCC2)CCCCC1	1995987028	RKKFEOBUZLDBJC-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@H]1CCC[C@@H](C)CC1	1997213290	DKFZGFHWEJCYKA-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@@H]1CCC=CCCC1	1999986397	UAKLPBGSGKZFIY-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCCC1CC(C(=O)[C@@H]2CCCC(C)(C)C2)C1	2000107484	UCXZZDPQXFXWBV-ROKHWSDSSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC1CCC1)C1(C)CCCCCC1	2000375480	CKYDGONUIGIBRV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C1(N)CCCCCCCC1	2003094097	BKVALQAQFHBQIY-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CCC[C@H](C2(O)CCCCCCCC2)C1	2003110105	AWKKDLGCHOWZQG-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1CCCCCCC[C@@H]1O	2003112724	XOEJBLDHSLLXCV-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CC1(C)CCCC1	2003174975	IKUJOSKWELJZBY-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](CC1CC(CC)C1)C(C)(CC)CC	2007812728	PNOFAPXJFHZCIZ-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](C=C1CCCC1)NCC	2007937851	RMXDQBXYVBQNQX-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@H](C)CC(C)(C)C	2009547854	LSOXLRDZKYWALB-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@]1(CNC)CCC[C@H](CC)C1	2009617665	VESFWJOHHDPELS-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCCC1CC(N[C@H]2CCC[C@H]2CCC)C1	2009715617	HLZWUCAHURNUJR-KNIAUWFNSA-N	237.431	4.514	0	10	BJAE	
CCCCCC1CC(O)(C[C@H]2CCC[C@H]2C)C1	2009717540	KPBFJWCFLPHKQZ-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2CCC[C@@H]2C)C1	2009791649	OUFGRBFIEQFHGI-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](CNC(C)C)(CC1CCCC1)C(C)C	2012406764	AEOMXOIYWRMFNJ-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@](CC)(CC(CC)CC)C(C)C	2012424380	DQYXNLUTGSUUJW-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@]3(C)C[C@H]23)c(C)cc1Cl	2013052840	OIIRTNMTQIGVHM-KYOSRNDESA-N	249.785	4.557	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CCCCC1(C)C	2013263020	FBUYDGPMDJJSPN-CABCVRRESA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C)[C@H](O)c1sc2ccccc2c1C	2014292327	LGPVYUCFISNPBX-HZMBPMFUSA-N	248.391	4.679	0	10	BJAE	
CCCC[C@@H](CC)NC1CC(CC(C)(C)C)C1	2014650692	PWECYONQBBAIMY-SHARSMKWSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@H]1CCC1(C)C	2014846491	OAFSPFLUDJXHDS-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@H](C)[C@@H](C)CC)CC1	2017663734	XQXNVIWOGADCIF-XGUBFFRZSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1CC[C@H](CC)CC1	2017728190	IRFZKAVEWKKURR-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@@H](C)CNC(C)C)CC1	2017730811	LDPWIJHINUCPCI-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@]1(C)NCCCC1CCCCC1	2017867020	BTMSMOVPFPMTQX-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](CC)NCC[C@@H]1CC=CCC1	2018127786	NVMXRXQKEOTBQC-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCCCN(C(C)C)[C@H]1CCC[C@@H](CC)C1	2019198537	AYZQSYJOTQFFLT-CVEARBPZSA-N	239.447	4.856	0	10	BJAE	
Clc1cccc2ccn([C@@H]3C=CCCCC3)c12	2019531153	ARTOJSIYBZCWSQ-CYBMUJFWSA-N	245.753	4.966	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2C[C@@H]2C(C)C)c1	2022478119	QWEZOGITHMJIKI-GDBMZVCRSA-N	231.383	4.514	0	10	BJAE	
C[C@@H](CCCCC(C)(F)F)c1ccc(N)cc1	2023295356	DXOUCIMKLRYYMV-NSHDSACASA-N	241.325	4.588	0	10	BJAE	
C[C@@H](CCC1CCCCC1)[C@H]1CC[C@H](N)CC1	2023548840	BVUNJEIBLDPGRQ-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@H]1CCC(C)(C)CC	2023612054	QHGYFLISSAAGEK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@H]1CCCC(C)(C)C1	2024102933	XGGDUQFYGWRDCV-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC[C@@](O)(C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2024125376	TVWJDXJIQCHKMS-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(CC[C@@H]1C(=O)CCC[C@@H]1C)C(C)C	2024612075	BQMCDRYPOBJWNU-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC(C)(C)C1(C)C	2025017338	ANHSZUVKBJDBJX-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CCC1(C)CC1)NC	2026170368	PENXCNYZGBAYIA-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H]3CCC[C@H]2C3)c(Cl)c1	2026245676	VWLVOJISDBTOQO-SLEUVZQESA-N	249.785	4.639	0	10	BJAE	
CC(C)c1ccccc1CCC[C@@H](N)C(C)(C)C	2027500863	YGQRRYHBBVAIDU-MRXNPFEDSA-N	247.426	4.506	0	10	BJAE	
CCN[C@@H](C1=CCCC1)c1ccccc1C(C)C	2027517342	GDEJYKJYZMULKN-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCCNC[C@@]1(C2CCCCC2)CC=CC[C@H]1C	2027924448	VJJSPUJMSGAXDC-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC=CC[C@@]1(CCC(C)(C)C)CNC1CC1	2027927415	XDGBNDVVTZLNRP-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC2CCC=CCC2)C1	2028896650	FIQLDJMSZQLQHM-HYVNUMGLSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC1[C@@H]2CCCC[C@@H]12	2033476185	FQSAOULGEUATSE-HUUCEWRRSA-N	244.378	4.686	0	10	BJAE	
Cc1cccc([C@@H](N)C[C@H]2CCC[C@@H](C)C2)c1C	2037048818	SVQVBLKQANICBN-PVUWLOKVSA-N	245.410	4.520	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)CC1CC2(CCC2)C1	2038083867	UJFYRNRZAYKKCQ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](C)NC1CC2(C1)C[C@H]1CC[C@H]2C1	2038950137	AYPVRKIVWFMCJP-OLGJIQAVSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(NC[C@H]2CC23CCCCC3)ccc1F	2039050567	IYKJUSZGNNKPLZ-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
C[C@@H](CC(=O)C1CC2(C1)CC(C)(C)C2)C1CCC1	2039424475	QCEFQPBDQNJVHA-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(N)CCCC3(CCC3)C2)C1	2041291488	ZLRXPDCCKWGXAG-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C2CC3(CCC3)C2)CC1	2041385843	FZHNTIBJZPXUOB-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H]1CCC[C@H](C)C1)[C@@]1(C)CC=CCC1	2042028312	VTMUZMBMUUFJLJ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@]1(C)CNC1CC2(CCCCCC2)C1	2046231779	MWMDCLIMDWXIAZ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(=C[C@H]1CC12CCCCC2)c1cccc(N)c1	2047011690	YKEUVIBEISOXIC-HNNXBMFYSA-N	241.378	4.643	0	10	BJAE	
CCN[C@@H](C[C@H]1CC12CCCCC2)C1(CC)CC1	2047016387	ONMVKKOKAQHMIA-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CC23CCCC3)CC1	2047060371	XFJIYMFVCVQHHO-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](C=C1CC[C@H]2CCCN[C@H]2C1)CC	2048079162	XARYLLYMRWXYSV-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)[C@@H]1CCCC(C)(C)C1	2049499878	YFPJNKZPBMYGIO-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)NC2CC3(CCCC3)C2)C1	2049544243	RSFGKBBHYFFYMC-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@@]1(C[C@H]2CCCC3(CC3)C2)CCCN1	2049851947	AXGQXTRNFANJIR-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC2C3CCCC2CCC3)c(C)c1	2050042687	QQYRSXPUTNIRLA-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CC)c1ccccc1C	2050457128	YXLIOWMOEPFYFA-RHSMWYFYSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@H](CC1CC1)[C@@H]1CCCCC12CCC2	2053411671	PDNRZDKHCRSSQB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CN([C@H]1CCCC12CCC2)[C@@H]1CCCC(C)(C)C1	2053434130	OKCMGOALWCRRHX-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CC1=C[C@@H](NCC(C)(C)C2CCCCC2)CCC1	2055549444	KLLXOCKCWWHHMQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CCC3(CCCC3)C2)CCC1	2055554851	MOQJGCOOMBWNPD-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1N[C@H](C)[C@@H]1CCCC(C)(C)C1	2055581435	ZNDKJQGIUYQJBS-FPCVCCKLSA-N	249.442	4.536	0	10	BJAE	
CC(C)C1CC(CC2(N)CC3(CCCCC3)C2)C1	2056636799	LTQVTTXESGLUNN-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](O)C=C2CCCC2)cc1	2056847913	JMNNRZLWZIAEPQ-INIZCTEOSA-N	244.378	4.518	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCC1(C2CC2)CCCC1	2057649315	PZACMUDOVFGHLR-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CC3CCC2CC3)C1	2059391160	YFXJIAXIECZWQW-RXXRUYGPSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)[C@H]1CCC[C@@H]1C	2061080354	HFRJVGRWJMDYQM-NXNVCVFFSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(N)[C@H]2CCC[C@@H](C)C2)CC1	2061117488	ZFGOHFXTHRXIOP-JHNDHUHGSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C(C[C@@H](N)c2ccc(C)cc2)CC1	2061144952	VFBIHBABUGIIEU-WMLDXEAASA-N	243.394	4.521	0	10	BJAE	
NC1(CC[C@@]23CCC[C@@H]2C3)CCCCCCCC1	2061618687	WGZYIGYJJDRPRR-HZPDHXFCSA-N	249.442	4.789	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CC[C@]23CCC[C@@H]2C3)C1	2061619151	ZCJFZWWUYRKJDW-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CC(=CC1CC(=C2CCC2)C1)c1cccc(N)c1	2061664953	MRDXSZXPWTZSNF-UHFFFAOYSA-N	239.362	4.563	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2CC(=C3CCC3)C2)C1	2061702889	XFPWUNSSCJJYQT-DOMZBBRYSA-N	246.394	4.662	0	10	BJAE	
CCc1ccccc1NCC1CC(=C2CCC2)C1	2061721202	SXJXLBZJOAFFKH-UHFFFAOYSA-N	241.378	4.551	0	10	BJAE	
CC1CC(C)(C(=O)CC2CC3(C2)CC(C)(C)C3)C1	2063213742	QRMCTIMQSPNTJP-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)C12CCCC1CCC2	2063822815	WTKGWMNKPRBIAS-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
NC1(CC23CCC(CC2)C3)CCCCCCCC1	2065335069	LDTYLFSKLWZZIK-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCCc1cccc([C@@](O)(CC)CCC(C)C)c1	2065999028	DLGVFPOLHKVNAX-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
Cc1cocc1CNC1CCCCCCCCC1	2066416338	DANLZCKBICHVCL-UHFFFAOYSA-N	249.398	4.571	0	10	BJAE	
CCCCCC1CC(NCC2(CC3CC3)CC2)C1	2069509686	SLFIVPBWNLGRDJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C2(CC3CCC3)CC2)C1	2069566552	LFRGFAKKCPABCF-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](N)CC2(C(C)(C)C)CCC2)c1	2071939802	DQILSSCMOKSUCT-OAHLLOKOSA-N	245.410	4.601	0	10	BJAE	
CCCCC[C@H](CC)Nc1cc(C)c(C)cc1N	2073284344	COKSMFHDKPMLBX-AWEZNQCLSA-N	248.414	4.656	0	10	BJAE	
CCCC1(C[C@H](CC23CCC(CC2)C3)NC)CC1	2074642113	QIWMZLYONFDTKS-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CN(C)c2cccc(C)c2)CC1	2075335097	ZQEACOJVJBLHKV-WKILWMFISA-N	245.410	4.648	0	10	BJAE	
CC(C)=C(F)CN[C@H](C)c1cc(C)c(C)cc1C	2076364813	XOGTUNDHGUAPEE-CQSZACIVSA-N	249.373	4.526	0	10	BJAE	
CCN(C[C@H]1CC12CCCC2)C1CCCCCC1	2076553522	BUTLGSYXLDDIQX-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@]12CCCC[C@H]1CCC2	2077185797	VOTXNOJXRGZMJL-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CC=C(CC)[C@@H](CC(C1CC1)C1CC1)NCCC	2077190609	UFYIUCKRTGQUAQ-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CCCC=CCNC[C@@H]1C[C@H]1C1CCCCCC1	2079462382	PNCTWCPIUSEJAL-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CCC1CC(C(=O)[C@H]2C[C@H]2C2CCCCCC2)C1	2079491120	HETYMGXXNGRSAY-UAOKOLBASA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2079492587	RQHVRMZMHLDKHQ-TWTBHFKPSA-N	248.410	4.908	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1ccccc1C(C)(C)C	2079654776	DPHUJAVNLGTEQC-UONOGXRCSA-N	245.410	4.832	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]1C1CCCCC1)[C@H]1C=CCCC1	2079841680	KEESAACONRQKQM-HRCADAONSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)[C@](C)(N)CCCCCCC1CC1	2210525237	NPADRICLRKYUOM-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CCCCC1CC1	2211113397	SYLCZIGEVWNNFR-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)(C)C1)[C@H](C)CC	2215399394	VWEDDVSZGOLMEP-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CC)CC1(C)CC(C)(C)C1	2215402579	VWXFYOPAQPUAEY-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC[C@@]1(N)CCC[C@@H](C(C)(C)C)C1	2216253542	SMYJEPZSAIFTEK-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](C)(CNC1CCC1)C[C@@H](C)C(C)C	2217128201	YYGUSZAXHQYVGZ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)C[C@@H]2CCC[C@@H]2C1	2218728583	VDMJYATUXDHMIK-BJWYYQGGSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)CC=Cc1ccccc1	2219089894	GMQNQDACWGNNRX-NVXWUHKLSA-N	245.410	4.504	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CCCCC2CC2)cc1C	2220028457	SKYMRKHVPUJAEK-KRWDZBQOSA-N	246.394	4.616	0	10	BJAE	
CCCC[C@H](CC)Nc1cc2ccccc2cn1	2220425919	JNTAKNGQEOUVMQ-HNNXBMFYSA-N	242.366	4.616	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)[C@H]2CC23CCCCC3)C1	2221029501	AIBZSTVEGHSWAT-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C(C)(C)C1CCCC1	2221996963	BKWNSBYFEVDVSQ-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
C1=CC2(CCC2)N(CCCCCCCC2CC2)C1	2223115789	FKCAAKSBSCKAMQ-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CC[C@H](C)[C@]1(CNC2CCC2)CCCCC12CC2	2223604256	KFAUGLPRIVQSTR-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(C)c(C)c1	2244799279	GGNAOKUNWRWKQB-CQSZACIVSA-N	219.372	4.542	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC1(C)CC(C)C1	2246445443	VFDMYISNUXBADY-UIDBIOKJSA-N	240.431	4.780	0	10	BJAE	
CC1CC(C)(C[C@@](C)(N)CC2CCCCC2)C1	2246519102	JRSCRRBSJOHCLV-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@H](N)C2(C)CCCC2)C1	2246669996	UJSOOUCJAKGLRE-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@H](O)CCCC[C@H]1C[C@H]1C)C(C)(C)C	2247165082	PTGLUKDPGXPNFU-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](O)C(C)(C)C(C)(C)C	2247167425	XCPUZZZCHVIWOC-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](CC(C)C)c1cc(C)c2sccc2c1	2248576008	CVPCBKMGLHIYKJ-CQSZACIVSA-N	247.407	4.516	0	10	BJAE	
CC(C)CC(C)(C)NCCCCC[C@H]1C[C@H]1C	2248859786	KBTLOAXVBYKWID-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](C)(O)CCC1CC1	2248865995	MSHUKNPWUNEPRH-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CN[C@H]1CCCC2(CCC2)C1	2250385426	QQZGLMFQHKULQT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@]12CCC[C@H]1CC2	2251102712	DQVNZGWCBJGUQN-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C(=O)C[C@]23CCC[C@@H]2CC3)sc1C	2251198622	XBNLDCGHEFJQTE-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CC1CC(CCC(=O)CC2(C)CCCCC2)C1	2251759975	WMJSPNFFMQZAPR-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1CC(CCC(=O)CCCC[C@H]2C[C@@H]2C)C1	2251760476	DDECZYKDTLWFBE-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC=C[C@]2(C)CNC(C)(C)C2)C1	2253933570	DKFAWJXGYWFROQ-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC2(CC3CCC3)CC2)C1	2253949822	AINMIYUYFTXZHL-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(c2ccc(NC[C@@H]3CCC3(C)C)cc2)CC1	2254978241	OVGUEJAARRGEBC-AWEZNQCLSA-N	243.394	4.586	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C1(C)CCCCC1	2255061030	BQHYAPZJEKEYIL-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC[C@@H]1CCCC12CC2	2255240463	YNOYOADBYGWECL-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C=C(C)C)c1ccc(CCC)cc1	2256293524	ZLRMAPWHFMXGFA-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1CCC[C@H]2C[C@H]21	2257248343	SHEDVLRLOIGFDA-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
NC1C[C@@H]2CCC[C@H](C1)C2CCC1CCCCC1	2257992651	DTZHNUISXGGGNF-RYTJFDOTSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc(C(C)(C)C)cc1	2259447561	NBJCUTPWRXGJFU-ZDUSSCGKSA-N	246.394	4.993	0	10	BJAE	
O[C@H](CCC1=CCCCC1)[C@]12CCCC[C@H]1CC2	2260521099	OWFKPSMZYHHNLM-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
CC(C)(NC[C@@]12CCCC[C@@H]1CC2)C1CCCC1	2260597222	UDODMVVGKYYVGV-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC1(C)CCCCC1	2300504997	HLOBITNFCBDUJE-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
C[C@@H](CNc1cc(C2CC2)ccc1Cl)C1CC1	2300689906	COKKAOXYLZZXNG-JTQLQIEISA-N	249.785	4.675	0	10	BJAE	
CCC(CC)CCC(=O)C1CCC(F)(F)CC1	2300699658	HOXWYPLKJOZLEW-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@H](C)C1(CC2CCCCCC2)CC1	2301138350	UMUGCVRKKHUGKR-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C(C)=C(C)C	2301903236	SBJZJLCPQBPWOF-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)CCC1=CCCCC1	2301921015	JXUWBJJRFFSPQA-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@H](C)[C@H](C)C(C)C	2301977574	HNBYNRJUWTWKNT-BZUAXINKSA-N	241.463	4.814	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](O)[C@@H](C)C(C)(C)C)CC1	2303526714	ZIVFETDLHRTOIN-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)C[C@H]1CCC(C)=C(C)C1	2303527572	VKILTWBGWAEZHL-DAXOMENPSA-N	237.431	4.537	0	10	BJAE	
CC(C)NCCC=CCC[C@@H]1CCC(C)(C)C1	2304446282	HDGAOMIQDQECLJ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CNC1CC1)C(C)(C)C	2307830720	FFMKCMNONKKNQL-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CCC[C@H]1C(C)C	2307894402	MKWPVNOBQBERJG-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@H](C[C@@H]1CC1(C)C)NCC	2307898761	MOSQFXKHAMBTFH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@@H](C)C(C)C	2307904051	RFJJFWARSWHYLL-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@@H](NC)CC(C)(C)C1	2307910730	ZJAPQWNDUPWHFH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@@]23CCC[C@@H]2C3)CC1	2310895258	RMWMPHDKXLFSKG-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)[C@]12CCCC[C@H]1CCC2	2311564902	LSZNJYBETCIFFB-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](N)C[C@H]1CCCCC12CC2	2312663782	RLMIOOAPHZRJBA-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2C[C@@H]3CC[C@H]2C3)c1	2312937332	GPWSPPTVCWOHFB-KBMXLJTQSA-N	243.394	4.658	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@H]1C1CC1	2315882795	IJZFPHQUNZPHPV-JKSUJKDBSA-N	243.394	4.719	0	10	BJAE	
CCC(CC)CCN1CCC[C@H]1c1ccc(C)o1	2316241482	UQGCKFQUFUYEST-HNNXBMFYSA-N	249.398	4.551	0	10	BJAE	
CCC(CC)CC[C@H](C)[C@@H](NC)c1ccccc1	2316244843	CIEOZEDJSCFWRC-WMLDXEAASA-N	247.426	4.800	0	10	BJAE	
N[C@@H]1CCCC[C@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316878259	MJUVYCXSOIWVDU-DMRKSPOLSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)C[C@H]2CCC[C@H]1C2	2318542746	XNWVKDNVWXAZHK-YESZJQIVSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CC[C@](CN)(CCCC2=CCCCC2)C1	2318582809	IDXBPZLIQMFVBL-DOTOQJQBSA-N	249.442	4.812	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)CCC12CCCC2	2318584250	YGJLGGUXJWEQBE-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
C1=C(CCCN2CCCCC23CCC3)CCCC1	2318586225	GYDFOLSKFOWIDN-UHFFFAOYSA-N	247.426	4.676	0	10	BJAE	
CC(=CCCC1=CCCCC1)c1cccc(N)c1	2318595433	PPGVRLUFSWBKFL-UHFFFAOYSA-N	241.378	4.953	0	10	BJAE	
CC(C)(C)CC1CC(C=C[C@@]2(C)CCCCN2)C1	2318821660	UDVMHQXIQUIVNX-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(CCN[C@@H](CC2CC2)C2CC2)CC1	2320524019	UAVUQKMAKPJTGE-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1NCC[C@H]1CCC(C)(C)C1	2321528999	KTFYGQQCGQDKIC-OAHLLOKOSA-N	245.410	4.932	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@@H]2CCCC23CC3)C1	2321602555	IWMORUMLAQVUAH-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cccc(C)c1C	21515488	AAVMABISOKRKEF-WFASDCNBSA-N	233.399	4.930	0	10	BJAE	
C[C@@H](CNc1ccccc1Cl)c1ccccc1	21794408	OLYRNWWIUNHLDI-LBPRGKRZSA-N	245.753	4.556	0	10	BJAE	
CCCCC[C@@H](NCCC)c1ccc(C)s1	35573084	HRKXDBMWZPYGPF-CYBMUJFWSA-N	239.428	4.678	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)c1ccc(CC)s1	50887750	TUMLXDCKTLJBKF-NWDGAFQWSA-N	239.428	4.540	0	10	BJAE	
Cc1cc(-c2cc(C)c(Cl)cc2C)ccc1N	70475981	UFXLRASRERMVMR-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC[C@H](C)c1ccc2nc(Cl)c(C)cc2c1	71136929	ARGFACIEKRJPRC-VIFPVBQESA-N	233.742	4.710	0	10	BJAE	
C(=C\c1ccccc1)\C=C\C=C\c1ccccc1	71789413	BOBLSBAZCVBABY-WSRJZADISA-N	232.326	4.969	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC[C@H](C3CC3)C2)c1	81624141	XDOANOVDEGZCKI-JKSUJKDBSA-N	243.394	4.684	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCCC1(C)C	86865970	RMWDUNRNCCTASB-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCC1(C)C	86867336	YCHMTZQUSXFMTB-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)CC(C)(C)CCNCC	87957238	IQSTUXAGRDDNIL-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2cc(C)cc(C)c2)C1	87984508	WALJCDUFVVKLBZ-GJZGRUSLSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCCCC[C@@H]2C)cc1	88505785	DQWMIJCHMIBFBK-ZMSDIMECSA-N	245.410	4.614	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC1(C)C)C1CCCCC1	94279337	DVRAZAYPQZLCMA-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](N)c1cc(CC)ccc1CC	97468852	YBHFWOUUOKWYBB-KRWDZBQOSA-N	247.426	4.782	0	10	BJAE	
Cc1nc2c(C)ccc(C)c2c(Cl)c1C(C)C	109692947	RYNWJZFVDRHTNG-UHFFFAOYSA-N	247.769	4.937	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cc(C)ccc2N)cc1	109774246	URUPKVMRRYNFRW-ZDUSSCGKSA-N	239.362	4.758	0	10	BJAE	
C1CCC(CCN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	109896655	GKCACUJBXPMNFX-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C[C@@H](C)C(C)(C)C)c(C)c1	111653795	IFEPDCXDNOTUTL-CABCVRRESA-N	248.410	4.718	0	10	BJAE	
CCCCCC[C@H](N)c1cc(Cl)ccc1C	124813642	UOAOMUJQKPNANX-AWEZNQCLSA-N	239.790	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](C)[C@H](O)c2ccccc2)C1	128933840	XJODOGITTVZACA-JHNDHUHGSA-N	246.394	4.573	0	10	BJAE	
CC1(C)CC[C@@H](Nc2ccc3sccc3c2)C1	129354641	IOQFFEBTSBGARP-CYBMUJFWSA-N	245.391	4.892	0	10	BJAE	
CCCC(CCC)[C@H](N)c1sc(C)cc1C	132927495	MMIZWEDAHWJPBT-ZDUSSCGKSA-N	239.428	4.581	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@H]1CCC[C@@H](C)CC1	148461862	XGCXITSNLIZRRX-KBMXLJTQSA-N	245.410	4.614	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CCC(C)(C)C[C@@H]1C	155838655	XVUMHAUOLZCIPQ-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C1CCCCC1	161384717	WYKKXMSAZIUISO-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)NC[C@@H](C)C(C)(C)C)c1	162711472	JKPWJNQECMBYMW-HUUCEWRRSA-N	247.426	4.636	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccccc1C(C)(C)C	165103371	BORNUAUCVXXUOZ-LBPRGKRZSA-N	232.367	4.603	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)C1CCCCC1	167014091	CYTCHBGEFYVRLZ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)c1c(C)cc(C)cc1C	167266477	ZUIYRLARNHOIQI-WBMJQRKESA-N	247.426	4.699	0	10	BJAE	
CCCCC[C@@H](O)C1(CC(C)C)CCCC1	168418554	PYBGAOVYNQOUGY-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(C(C)(C)C)cc1	233289261	MDFSXZMMNZVFQI-CQSZACIVSA-N	233.399	4.975	0	10	BJAE	
CCCc1cccc([C@H](O)C2(C)CCCCC2)c1	233373828	AUXIYKPVFIFPKK-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Oc1cccc(C)c1C	233915270	KRDDAJQPTZWUIS-GDBMZVCRSA-N	232.367	4.651	0	10	BJAE	
CN[C@H](c1ccc(C)c(C)c1)C1(C)CCCCC1	234485826	VSMMNVBQOPEWDD-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@H](C)c1c[nH]c2ccc(C)cc12	238797199	SUOJDRBVEDFXEI-LBPRGKRZSA-N	215.340	4.770	0	10	BJAE	
O=C(c1cccs1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	250075159	DJUKISLWCXKFMZ-FRRDWIJNSA-N	248.391	4.537	0	10	BJAE	
CC[C@H](C)C[C@H]1CCCC[C@H]1CNC(C)(C)C	251952866	URNNNZULUSXFSK-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H](C)c1cc(C)ccc1C	252934775	DYZAFRUALYDNQZ-BFYDXBDKSA-N	245.410	4.533	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1sccc1Cl	300951024	XFGXNLHTEXCQKL-SNVBAGLBSA-N	245.819	4.618	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)C1CCC(C)CC1	302324289	HGULYXUVBSEWOU-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C(C(C)C)C(C)C	302518876	DHYANICKCPHJBT-HUUCEWRRSA-N	241.463	4.848	0	10	BJAE	
CC(C)Cc1ccc([C@@H](O)[C@H](C)CC(C)C)cc1	306103280	QRCNDHKNUJWUNO-PBHICJAKSA-N	248.410	4.601	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)c1ccccc1CC	308008456	GUMMTMBROWPRNR-NVXWUHKLSA-N	248.410	4.745	0	10	BJAE	
CCCNC[C@](C)(CC)C/C=C\c1ccccc1	317793579	VIMNUURHRHQVJJ-QJWNTBNXSA-N	245.410	4.506	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1ccc(C(C)(C)C)cc1	319374241	QPONRPKXAFCLHA-HEHGZKQESA-N	248.410	4.700	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@H](C)[C@@H](C)CC)CC1	319663181	QBHBWFAPOLDGAO-ZJIFWQFVSA-N	239.447	4.747	0	10	BJAE	
Cc1cscc1NCC/C=C\c1ccccc1	322917285	JWSMEYQHJFOHGN-UITAMQMPSA-N	243.375	4.572	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H](C)C1CCCCC1	379865642	SJOIQZDYWXVZJV-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
C[C@@H](C[C@H](N)CC1(C)CCCC1)CC(C)(C)C	380069634	ZTBYQXDGDQWKSA-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](N)CCC[C@@H](C)C1CCCCC1	380163343	VIYGGCUAEABODV-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
Cc1cc([C@H](C)Nc2c(C)cccc2F)cs1	381409977	XNSAOYILWTVQFZ-NSHDSACASA-N	249.354	4.677	0	10	BJAE	
Cc1ccccc1[C@H](C)NCCCCCC(C)C	383258777	XKBBUYRFZFQACR-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCC[C@@](C)(CNC)C[C@H](C)C1CCCCC1	383898865	WBHDHXWAAMARIR-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](C)C(=O)Cc1ccc(C(C)C)cc1	385379841	SHHSHEJDBCXKKS-CQSZACIVSA-N	246.394	4.748	0	10	BJAE	
C1CCCC([C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1	386039280	SJGGWOSORQIAEW-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC(=O)c1ccc2sccc2c1	386492128	YTHGADCWWJCUNV-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1ccc2sccc2c1	386610366	HWSKYMGONASUIW-SMDDNHRTSA-N	248.391	4.761	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCC1(C)CCCCC1	394594262	MODYAJLWNQWTAZ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)C1CCCC1	394763999	OWNZHKDKHDBHBA-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCc1csc2ccc(C(F)F)c(F)c12	396232529	CNZKLGWQDAADIR-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cccc(C)c1N[C@H](CC)[C@@H]1CC1(C)C	397628058	NGHOZEKQAODPQF-LSDHHAIUSA-N	245.410	4.794	0	10	BJAE	
C[C@@H](C[C@H](N)CCC1CCCCC1)C1CCC1	398724079	QTWSDGLCGOCMJA-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](Nc3cccc(Cl)c3)[C@H]1C2	400444499	ZRVMFFOWHYTVIN-ZLKJLUDKSA-N	249.785	4.577	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC(C1CC1)C1CC1	400845436	UPWQVVMRSLYHLH-SWLSCSKDSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)CC1(C)CC1	401578897	WHHYRVQTUXLNNR-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC1([C@@H](O)CCC(C)(C)C2CC2)CCCC1	406036405	QFAHAUIEFCQTHB-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](O)CCCC2CC2)cc1	406042412	UXUUDMPAYYOALV-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CCCC1([C@H](O)C[C@H]2CCC[C@@H](C)C2)CCC1	686921417	DZLXOIYKYGGPTP-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
Cc1c(-c2cccc(O)c2)ccc2ccccc12	687812757	LCUOAKVTKHLFBC-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
CCCN[C@H](C1CCCCC1)C1CC2(CCC2)C1	691889591	FWAWYHORWURDNJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)c1sccc1C	695096734	CTSKLPBWGHWWLR-VXGBXAGGSA-N	239.428	4.532	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](CCC(C)(C)CC)NC	696560406	GWWPZRWFBQPCSS-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC1CCC([C@@H](N)CCC(C)(C)CC)CC1	696561009	MLQLLYBLDLAJEL-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@](CCC=C(C)C)(CNC2CC2)C1	698056243	PNCSONJJGLZICF-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1C[C@@H]1C(C)(C)C	699873643	ALSWYHPHBQPRJE-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C(=O)c2ccc(C(C)(C)C)cc2)C1	701503505	MGYMHLJEHNKLIT-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
CC1(C)CC(N[C@@H]2CCCC23CC3)CC(C)(C)C1	706988701	XTIWVMVLJOEISW-CQSZACIVSA-N	249.442	4.514	0	10	BJAE	
CCc1ccccc1NC[C@@H](C)CC(C)(C)C	709098688	QSPQVSXIHMRKHP-ZDUSSCGKSA-N	233.399	4.733	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CC(C)(C)C)C(C)C	709102161	FCAJXDHNKBYHSC-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@H](C)C(C)(C)C	710755084	STJDKSWSQOQLDK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(=O)Cc1ccccc1C)C(C)(C)C	711148103	QAKPZEJZUFNYHF-OAHLLOKOSA-N	246.394	4.569	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)C[C@@H](C)C(C)(C)C	711182398	INCCBGGOKDIFLO-CZUORRHYSA-N	241.463	4.863	0	10	BJAE	
CCCc1ccccc1N[C@H]1C[C@@H]2CCCC[C@@H]21	712411805	ZUJSUFDRDZIRHY-ZOBUZTSGSA-N	243.394	4.630	0	10	BJAE	
Cc1cccc(N[C@H]2CC(C)(C)CC[C@@H]2C)c1F	713065755	LARINMMGIXLTGT-FZMZJTMJSA-N	249.373	4.761	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC(C)(C)C(C)C)C1	713303769	CIXHNMMTENFEAU-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@H]1CCCC2(CC2)C1	713314607	NCZSYIHHJCNBBX-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)c1cscc1C	713709303	IMMBIVXINDEKHG-LQYUOIDQSA-N	249.423	4.620	0	10	BJAE	
c1ccc2cc(NC3(C4CC4)CCC3)ccc2c1	717856550	WZBWSIURERQEOF-UHFFFAOYSA-N	237.346	4.584	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)CCC(C)=C(C)C)CC1	718576082	CGGJRAYSYHLXEA-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
Cc1ccc(NCc2sc(C)cc2C)c(C)c1	719422541	WSAPYYVLTNWDPA-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CC1(C[C@]2(N)CC[C@H]3CCCC[C@H]3C2)CCCC1	723614231	VLSQHAVOWXFMOQ-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC1(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1	757566533	FZPCIHVKDSFYRT-UHFFFAOYSA-N	244.284	4.683	0	10	BJAE	
C1=CC[C@H](NC2CCC3(CCCCC3)CC2)CC1	1308277510	IBXPHQSDIGBCOZ-HNNXBMFYSA-N	247.426	4.578	0	10	BJAE	
Cc1cccc(CSCc2ccccc2F)c1	1651983655	BLUFNHLHWXBLGF-UHFFFAOYSA-N	246.350	4.568	0	10	BJAE	
CCN(C[C@@H](C)CC(C)(C)C)C1CCCCC1	1653148220	JENXFSLKNBSQBV-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CSCc1cc(C)ccc1C	1656280998	AXOQSTUUOPTHMT-UHFFFAOYSA-N	236.424	4.973	0	10	BJAE	
CCC(CC)CCC(=O)C1(CC(C)C)CC1	1900697707	QUZIKTXGDHQTDU-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(O[C@@H](C)[C@H](C)C(C)C)c(Cl)c1	1901681975	JPZREGJXGOXMTP-NEPJUHHUSA-N	240.774	4.708	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)CC(C)(C)CC	1908578533	UTEXWHYMDULMCS-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H]2C[C@@H]2CC)CC1	1910504154	QVDIALRYPLZDBT-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CC2(CCCC2)C1	1912631078	RPZODQZCAMBAIM-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@@](O)(C[C@@H](C)C(C)(C)C)c1ccccc1	1919934235	KMGQSGMRWVSHKV-PBHICJAKSA-N	248.410	4.603	0	10	BJAE	
CCCc1ccc([C@@](C)(N)CCCC(C)C)cc1	1920481810	MMKMRVJBZYFFAW-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C1CC(CCC)C1	1921276229	FEQPDSADHMWHRF-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CCC2CC=CC2)C1	1929817272	DKPCSDBNNHSURA-NHAGDIPZSA-N	206.373	4.805	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H](CC)C(C)C	1936212562	OIAHSBLYTODJMN-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](N)CCCCCC1CC1	1936428718	RTYXKNVPMOFFPX-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)[C@H](C)CC(C)C	1939034866	AZKHZHCBODIMJN-HIFRSBDPSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)CC(C)(C)F	1940807679	OEDKTUCLXSZGIK-OAHLLOKOSA-N	245.426	4.709	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)c1cccc(N)c1	1940975282	BWDGWXPVUJDOIY-KBPBESRZSA-N	233.399	4.979	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@H](CCC)C(C)C	1941262458	FHAFGGNYHRSWML-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@@H](CC(C)C)C(C)C	1941265305	UIBFHEHSPLWKGG-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC(C1CC1)C1CC1	1944519417	DPIIWYODLLJGGJ-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
C1=C[C@@H](CC[C@@H]2CCCc3ccccc32)CC1	1947553388	XPZZQMAWYDZJAT-ZBFHGGJFSA-N	226.363	4.853	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCC(F)(F)CC1	1948121147	QNCPOAOFRUYTMG-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)NCCCC1CCCC1	1948327396	PAJWRVSAFQBETM-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(O)[C@H](C)CC(C)C	1948334097	WRMOUPFWJNMJGV-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1948932511	AEUZTDJGJDRXKW-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CCCC2CCC2)C1	1949013606	OGKRMLLEYVPARA-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1C=CCCCC1	1949138523	GTHOIUNSXTVFDJ-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
CC(C)CCC[C@H](O)[C@H]1CCCC(C)(C)CC1	1950913115	DTNTVBGNYNJTRK-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](O)CC2(C)CCC2)CC1	1950913970	LYCMVCBTMDFAQZ-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC1(C(=O)C[C@H](C)C2CCCCC2)CCC1	1951236617	NFDADYFBZGRSDB-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)CN(C)Cc1cccc(C(C)C)c1	1964260421	ZQEWWJUQQVUOMJ-HNNXBMFYSA-N	247.426	4.678	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2C[C@@]2(C)CC)CC1	1966012140	PBZXJYJODYISQE-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
Cc1ccccc1N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1968252783	UXLXEYPWLLFUQP-MUJYYYPQSA-N	243.394	4.766	0	10	BJAE	
CCC[C@H](NCC[C@H]1CC1(C)C)c1ccccc1	1968434975	DAPAAXQHBKAGMW-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
CC(C)(CCN1CCCCC12CCCC2)C1CC1	1969790519	QKWSUYBHDIQIHF-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCCCC1CC(O)(C[C@@H](C)CCC)C1	1984693067	YFYKOUZBNZHAAH-NFOMZHRRSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CCC[C@](C)(N)C1(C)CCCC1	1987597583	AIHRXFWWJPVZCD-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C[C@@H](C)C(C)(C)C	1988794942	ODXRTYWWJLCQOJ-UKRRQHHQSA-N	226.404	4.556	0	10	BJAE	
CCC(C)(CC)C(=O)CC1(C(C)C)CCC1	1989452377	XJPFLVONYWWKHI-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H]1C=CCCC1	1998376444	CRPTVSBBZHLFNL-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CCCC(C)C)[C@H]1CCCC(C)(C)C1	2000255224	NCZNSPHISVBPAA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1CCC([C@](C)(O)CC(C)(C)C)CC1	2002924555	KMVFWQPBFFDBCF-ZBCRRDGASA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)[C@H]1CCC[C@H](C)C1	2003014642	MAVKRPUNBVQKFF-JONQDZQNSA-N	239.447	4.760	0	10	BJAE	
CC(C)=CCC[C@](C)(N)[C@H]1CCCC(C)(C)C1	2003023452	XMGOPKDWSJKQBB-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CCC1(C[C@@H](CC2(C)CCCC2)NC)CCC1	2003179483	OUZGKKUZAHZVGX-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1CC(CCC)C1	2004231276	OHVCFJRACLYYHS-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](N)(CC)CC1CC(C2CCC2)C1	2007753543	GDQXJSGTHACPSX-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCC1CC(CC(=O)[C@H]2CC[C@H](CC)CC2)C1	2007769627	RHBYYCZHFBFUGE-NWMRNGAKSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C=C2CCCCC2)CC1	2007969120	YAFALUMZGXXJOU-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C1CC(C2CCC2)C1	2008403575	UDGLQADQIQWGOV-LRVUVFPRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@H]2C=CCCCC2)CC1	2009409456	BKMWFQVQNSNEIL-SOUVJXGZSA-N	234.383	4.518	0	10	BJAE	
CCCC1([C@H](CCC2(C)CC2)NCC)CCC1	2009533301	BNROBDVHTFLQGO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011973302	NLGCWYLUZQMYKM-QDMKHBRRSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C12CCCC1CCC2	2012119074	CMQLISNDJXFFHE-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)CC(C)(C)C(C)C	2013236467	IJMPZHDBLSJBRL-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
CCCC(=O)CCc1sc2ccccc2c1C	2014303492	GBOYXNSEHJDYIR-UHFFFAOYSA-N	246.375	4.512	0	10	BJAE	
CCC[C@@](O)(CC(C(C)C)C(C)C)C1CCC1	2015277728	JEPMKQFBPZHNDH-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)CC(C(C)C)C(C)C	2015284521	OITSSQGSSOWUAE-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@H](O)CCC1(C)CC1)C(C)C	2015339078	MQSYIIWUHDFQQV-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CCCC2(C)C)CCC1	2015631384	FUBPXXOYZHCJEK-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NCC)C(C)(C)CC(F)F	2016017196	FHSVOQMCSJBREF-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CN[C@@H](CCCC(C)C)CC1(C(C)C)CCC1	2017146158	QBTNQZUNFJILFB-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@](C)(O)C(C)(C)CC)CC1	2017702788	ZMUXIIDLBYFLGJ-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@]12CCCC[C@H]1C2	2018571148	CDFUZSHWZRVMSG-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)CC1(CC)CC1	2018989901	IVVGPTXJBPMGHI-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@@H](CC)CC(C)C	2018990640	NYLJWYNDLDNLQZ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCN1CC[C@@H]1CC(C)(C)C	2019344539	OKOXGTLWAGIJNH-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC1(C[C@@H]2CCCC(C)(C)C2=O)CCCCC1	2020389668	XPNFXPZQYPEUNF-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1(C)CCCCC1	2020972613	WOVORVKSDRASJJ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCNCC(CC)(CC)C[C@@H]1C[C@@H]1CCC	2022501589	JNALPXFPGHGYOI-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2022993732	NZZUVXYJYGXZRC-XHSDSOJGSA-N	237.431	4.645	0	10	BJAE	
CSc1ccccc1N[C@@H]1CC[C@@H](C(C)C)C1	2025573873	AMGVNFSGHRPAGE-CHWSQXEVSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@]1(C)Nc2cc(C(C)(C)C)ccc2O1	2027870306	MUNWSUCQOXAJLQ-MRXNPFEDSA-N	247.382	4.695	0	10	BJAE	
CC(C[C@H]1CCCN1)=C1CCC(C(C)(C)C)CC1	2028115822	UCHBNZXGCIKBHR-OEMAIJDKSA-N	249.442	4.681	0	10	BJAE	
CNCC1(CC2CCC=CCC2)CCC(C)CC1	2028869742	KRLVYJQGZQQKEO-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C(=O)CC2C[C@H](C)C[C@@H](C)C2)c(C)o1	2031799773	BZDAPYRTASTGAE-GHMZBOCLSA-N	248.366	4.542	0	10	BJAE	
Cc1ccc(C(=O)[C@@]23CCCC[C@@H]2CCC3)cc1	2031850735	KNFDLZDCYNXFCJ-NVXWUHKLSA-N	242.362	4.538	0	10	BJAE	
CC(C)=C(C)CCNC1(C2CCCCC2)CCC1	2033057610	VLPFEWZIGCBLJW-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC1(C)C)c1ccccc1	2033558420	HIKGHXAMPHWXSA-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@@H]1C[C@H]2C=C[C@H]1CC2	2036949511	KNAJFNVSWQOQJF-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C[C@]1(N)CCC2(CCCCC2)C1)C1CCC1	2037161313	ZTUUKITWHIFPOU-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)c1cc(C)cc(C)c1	2037168027	CMXSGDPIBJQSJI-QGZVFWFLSA-N	245.410	4.614	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)CC[C@H]1CC1(C)C	2037274490	WXKBAALDHGQFKD-ZQIUZPCESA-N	249.442	4.667	0	10	BJAE	
CN[C@@H]1C[C@H](C[C@H]2C=CCCCC2)CCC1(C)C	2037856000	DNKYZLGFYHEFEI-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H](NC)c2ccccc2)C1	2038137091	AGYGLSMMPDVPQN-VYDXJSESSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCCC[C@H]1NC[C@H]1CC12CCCCC2	2039056893	ANWPDNKXNDXNRZ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]([C@]2(N)CCCC3(CCC3)C2)CC[C@H]1C	2041290713	SUWBMVANCURXSB-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC1(NC[C@H]2CCC=CCCC2)CCCCCC1	2045328756	HXZDRFQSIFTQLJ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)[C@@H]2CCC23CCCCC3)C1	2045520423	OQHQRYYFUXGGDX-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H]2CC23CCCCC3)C1	2047065685	PCOFSYVZYXVNRT-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@@H]2CCC23CCC3)CC1	2049414197	FKURFIOZGFWGLP-PRLABOORSA-N	249.442	4.514	0	10	BJAE	
C1CCCCC(N[C@@H]2CCC3(CCC3)C2)CCC1	2049675591	NDNWIQGNGBMCBD-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
Cc1cccc(C(=O)CC2CCC3(CC2)CC3)c1	2049947000	CDXKIIRPQDYFCD-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2CCCC3(CC3)C2)CCC1	2049962486	FUCGRQUBMVCGFA-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CC[C@@H]1CC(C)(C)CC[C@@H]1CNC1CC1	2051408609	MCTPNXPDHBLNAE-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@H](C1CCCC1)C1CCC1)C1(C)CCC1	2052345396	OZFLLHXXOCAZAO-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1(C)CCC1)c1ccc(C)cc1	2052350462	ZDGOOUDDRNVBDT-GOEBONIOSA-N	245.410	4.614	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CNc2ccc(CF)cc2)C1	2055678441	QKMIDLDILZJOBW-NHAGDIPZSA-N	249.373	4.640	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC2CC(C3CCC3)C2)C1	2056639068	CQYNELFIECBFOJ-PUJMQQBBSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C[C@@]2(CN)CCCCC23CCC3)C1	2056648835	RQUUIQQJNJWKFZ-VMBOVVBDSA-N	249.442	4.502	0	10	BJAE	
CCCC[C@]1(C[C@H]2[C@H]3CCCCC[C@H]32)CCCN1	2059467004	NDUOUPBSPPOGOI-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(N)C1=CC[C@@H](C)CC1	2060912998	IMATXBYOQZQZOR-MUIFIZLQSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C(C)C)CC1)C1CCC1	2061088119	KPPAURUAEQUBLD-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC[C@]12CCC[C@@H]1C2)CC1CCCCC1	2061598137	WXZJJXWVUJOQQL-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@]23CCC[C@@H]2C3)c1	2061607470	QWEKDUNANJRQLV-NVXWUHKLSA-N	242.362	4.573	0	10	BJAE	
C[C@H](C[C@H](N)C[C@]12CCC[C@H]1C2)C1CCCCC1	2061624097	WPIXQJXOANNARN-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)[C@H](CC1CC(=C2CCC2)C1)NCC	2061721804	BAGJWLIKLXCIOY-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@]1(N)CCCCCC12CC2	2062019346	IKIYFFUOCKKYIK-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC=CCCCN[C@@H](C)c1ccc(CCC)cc1	2062371885	KDZNMWSNOXHWDR-HNNXBMFYSA-N	245.410	4.646	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCOc1cccc2ccccc12	2062620898	QTYXTZBPLABJHH-HIFRSBDPSA-N	240.346	4.655	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCN[C@@H]1CCCC2(CCCC2)C1	2062640729	FBXLWBDXUMHYNH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC(C[C@H]3CCCCC[C@@H]3N)C2)C1	2063207125	CEYFBFIKBDKEJF-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
O=C1C[C@H](CC2CCC=CCC2)CC2(CCC2)C1	2063721638	SLEXRUJVXWLTKF-HNNXBMFYSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC23CCC(CC2)CC3)C1	2065279130	GRHMMXNHTOUPHH-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC23CCC(CC2)C3)CC1	2065280647	XJOIOYZOSFKIAU-NYKLAOPUSA-N	248.410	4.742	0	10	BJAE	
CCCC1([C@@H](CC23CCC(CC2)C3)NC)CCC1	2065310626	OONGBLGOXFMHSP-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2C[C@@H]3CC[C@@H]3C2)cc1	2068746738	WCQIRHQKPQEAQD-MKZZRHPPSA-N	243.394	4.658	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)C)c1c(C)cc(C)cc1C	2068824105	XJEIFJIFHHXGNA-CZUORRHYSA-N	247.426	4.555	0	10	BJAE	
CCCC1(CC(=O)C2CC(CC3CC3)C2)CCC1	2069281725	AYWVKTFNHMYFLL-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1(CC2CCC2)CC1	2069585492	SEDUNSBLBYXVHW-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@@H]1[C@H]2CCCCC[C@H]21	2070400688	XHWJCBZVQWOGLJ-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CCC([C@](C)(N)C2CC=CC2)CC1	2070816955	CZNAWKVZMGMZBY-PUJMQQBBSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C[C@H]1C[C@H]1C)c1cccc(C(C)C)c1	2071505606	PKWMZQVRDMZEDO-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)C1(CC(=O)C[C@H]2C[C@H]3C[C@H]3C2)CCC1	2071922788	VXRLRICPRBLOEI-ZSOGYDGISA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC2[C@@H]3CCC[C@@H]23)CC1	2072700057	GGGFXOZAKDCCGG-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(CNC[C@H]1CC[C@H](C)CC1)C1=CCCC1	2072795379	CZRWCIZFUVYCKU-SHTZXODSSA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC(CC(=O)[C@]23CCC[C@H]2C3)CC1	2072876387	ZUVQKNUIPKZPJP-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CC(C)(C)c1ccccc1	2072919859	YOCCPGCOHQSCRK-KRWDZBQOSA-N	247.426	4.508	0	10	BJAE	
CCCCC[C@H](CC)Nc1cc(C)c(O)cc1C	2073344679	DSLWWCSHYJRBFN-AWEZNQCLSA-N	249.398	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2Cc3ccccc3[C@H]2C)C1	2074892384	NEPDJRCRPJDRAD-FMKPAKJESA-N	243.394	4.532	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)C[C@@H](C)c1ccccc1	2075144221	QCGVUPFBAUTONC-CABCVRRESA-N	247.426	4.547	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@H]2C2CC2)CCCCCCC1	2079324353	NCCXGLVPYDFCMS-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2C[C@H]2C(C)C)cc1	2079810402	BLIRAUMYHVQXER-QRTARXTBSA-N	246.394	4.871	0	10	BJAE	
CCc1ccccc1[C@@H](C)NCCCC(C)(C)C	2081222230	HHJGBXKUCIXIKS-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CC[C@H](C)[C@H](C)C1	2081946696	KFDFUERNYORVDF-YWPYICTPSA-N	249.373	4.625	0	10	BJAE	
CCC1(CC)CCC2(CC1)C[C@H]2CNC1CCC1	2083191129	MRKPSYFHFBGMAI-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@](C)(CN)CC1C2(CCC2)C12CCC2	2083579164	RCTXBYVVCWMWRW-HNNXBMFYSA-N	249.442	4.502	0	10	BJAE	
Clc1cc2ccccc2c(-c2cccs2)n1	2212518627	YMCVCKZGFFWRGN-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CC(C)=CCC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2213303026	IKWWFSUDGKKXIS-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H]1CC[C@H]1C	2214924382	ZXPBLDSFCBNQPV-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)C2CCCCCC2)C1	2215398150	JZVJGOCBCJLCMI-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@]1(CN[C@H](C)CC)CCC[C@@H](C)CC1	2217123887	CEMGIBNBPOJQAY-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN([C@@H]2CCC[C@@H](C)C2)C1	2218168928	QRWZGGVEMPIBGM-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)c1occc1C	2218719241	WTVWNRSNUYISAU-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
C(CCCC1CC1)CCNC[C@]12CCCC[C@@H]1C2	2218733602	YFLZYPYHEUKYJD-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(CC/C=C/c2ccccc2)cc1C	2219075418	CDWBCNHIOMYZQQ-UXBLZVDNSA-N	236.358	4.949	0	10	BJAE	
CC1([C@H](N)CCC2CCCCC2)CC2(CCC2)C1	2221002726	BGRCWXIZWXRDAM-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC1(CC[C@@H](N)CC2CCCC2)CC2(CCC2)C1	2221015551	IPKBQQJPGQLKKM-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CC1(C)CC2(CCC2)C1	2221082971	FCEROQLRFZMRGQ-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC=C([C@]2(N)CCC[C@@H](C(C)(C)C)C2)CC1	2222254345	BHUNSOOSPPDIMJ-UNEWFSDZSA-N	249.442	4.667	0	10	BJAE	
NC1(CCCCCCCC2CC2)CCC=CCC1	2223131133	VJKZJPZJWKXJAG-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CC(C)=CCC(=O)CC[C@H]1CCC[C@@H](C)C1	2242760348	ATNZAPFEMBFBQK-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cc(C)ccc1Cl	2244774685	IBPVWGLYGJLCPJ-BXUZGUMPSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCC(C)(C)C1=O	2245473403	UWPGANCKZBMBNV-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C(=O)CC1CC2(CCCC2)C1)C(C)C	2246816921	AJTVEQFOFQCBKF-AWEZNQCLSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H]1CCC1(C)C	2247443725	KMBTUTUANZKLNH-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](C)Nc1c(F)cccc1CC	2248100143	MKWQAEKLFUAUBN-GFCCVEGCSA-N	237.362	4.769	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CC12CCC(CC1)CC2	2250351790	GPQRNJNBNTYUID-LVDPKSTMSA-N	238.415	4.534	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)CCC(C)(C)C)C2	2250461975	YXYNHBMVRCNTMJ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@]1(N)C=CCCC1	2250476110	NJKXJXCRHVBCGE-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H]1CCCC(=O)C1	2250483945	AZVPXENMDQEEJK-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@H](CC2(C(C)(C)C)CCC2)C1=O	2251725159	SYVRUAASECJUEA-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc2c1N[C@H](CC1CCCCC1)CC2	2253853689	JGYKPWVDMKHKNO-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
CCCC[C@@H](N)CCC12CC3CC(CC(C3)C1)C2	2254020405	KXKQPFXRLRARAL-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(N)(C[C@@H](C)C1CCCCC1)C2	2254145269	BGRZKIFIABHQCS-FBZFNHGYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1(N)CCC2(CCC2)CC1	2254603863	FHSSCYYHUWWQNQ-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@@H]2CCC2(C)C)c1	2254932066	JYYKZXFQWCLMRJ-AWEZNQCLSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@]1(N)CCC2(CCCCC2)C1	2255015850	SUAIEPHUSJWCTI-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@H]2CCCC23CC3)C1	2255231724	CJDVFSNISXXFOT-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCCCC[C@@H]1C[C@@H]1C	2257288444	HFEXXXRHEMHZRX-UXLLHSPISA-N	245.410	4.601	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNCCC1=CCCCC1	2257337370	FIAXJMKHEBYGNR-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
C[C@H](CCCCC[C@@H]1C[C@H]1C)c1ccc(N)cc1	2257340963	PJUPSARBYCMLPB-IIAWOOMASA-N	245.410	4.979	0	10	BJAE	
CC(C)(C)c1cccc(NCCCC2CCC2)c1	2257946680	RCFWDGBCMUXJBW-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
FCc1ccc(NC[C@]23CCCC[C@H]2CC3)cc1	2260582365	JKOIBSWISDWNII-GOEBONIOSA-N	247.357	4.538	0	10	BJAE	
CCCCC[C@H](C)Nc1ccnc(C(C)(C)C)c1	2260746109	QTRIISJNSZRKGG-ZDUSSCGKSA-N	248.414	4.760	0	10	BJAE	
CC[C@@](N)(CC[C@@H]1C[C@@H]1C)CC1CCCCC1	2298128390	DSCRRUITJFKZNT-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CCC(CC)CC)C(=O)O	2300678157	HUDBEDDICRNGHI-OAHLLOKOSA-N	242.403	4.874	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CC[C@H]1CC1(C)C	2300875496	VXXGHOAOQPXZJH-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](NC)[C@H](C)CC=C(C)CCCC(C)C	2300926809	PCXZFHBSOLJOOD-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CC(=CCC(=O)[C@H]1CC12CC2)CCCC(C)C	2300928255	DDIKFZRIPCTSEB-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)CCC1CCCCC1	2301845063	VPBMDORGSCAFJH-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)c2cc(C)cs2)CC1	2303517834	ZUUNEJXYLTYTMA-KBPBESRZSA-N	249.423	4.583	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@@H]1CCC(C)=C(C)C1	2303597967	WYUNIMGXMXPFIJ-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(O)CC[C@H]1CCC(C)(C)C1	2304352174	PAGRMJIYNPLARQ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](N)(CC[C@@H]1CCC(C)(C)C1)C1CC1	2304437144	WCVGXEMUYOHAGA-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC[C@H](O)c1ccccc1C	2307823865	PYZGGZFIDMRGKC-HOCLYGCPSA-N	234.383	4.635	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC[C@@H]1C[C@H]1C)NCC	2307898467	KFYSXRRRLQOCKQ-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1(C(C)(C)C)CCC1	2307898685	LZYKUYOEWPVUQB-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C[C@H]1CCC12CCC2	2307908785	QZOFHQQGNQBTLJ-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@H](Nc1cccc(F)c1)C2	2308401487	WTFGLWCMLZFDKU-WQVCFCJDSA-N	247.357	4.597	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC[C@@]23CCC[C@@H]2C3)CC1	2310379703	FOKWSHGLFQBLRG-LJIGWXMPSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1C[C@H]1C)[C@]1(C)CC=CCC1	2310430818	CHCAOCZHIWTOIK-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](N)(C[C@@]12CCCC[C@@H]1C2)[C@H]1CC1(C)C	2311148229	SGUQPZQBYITRII-YQFWSFKMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]23CCCC[C@@H]2CC3)[C@@H]1N	2313348028	ZJITZHLTBIPBQE-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1NC(CC1CC1)CC1CC1	2313609602	SMUWWHYVRWRTNV-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)[C@@H]1C[C@H]1C1CCCCCC1	2313705817	WXBSVHPLZHYNEY-VBNZEHGJSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@]2(C)C[C@H]12	2315883681	QQTPBSFNANJIPF-BFYDXBDKSA-N	243.394	4.719	0	10	BJAE	
O[C@]1(CC2CCCCCC2)C=CCC2(CCC2)C1	2316862840	JVUQYLGHTLEOLY-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
Cc1oc(C)c(C(=O)CC2CCCCCC2)c1C	2316998394	JMYHOLHQHVMMBC-UHFFFAOYSA-N	248.366	4.748	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)CCC1=CCCCC1	2317965588	KZSWFOJWVODEOG-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
c1cc2cc(NCCCCCC3CC3)ccc2[nH]1	2318927734	KPRLKHAQDALGDE-UHFFFAOYSA-N	242.366	4.550	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@H]1CCC=CCCC1	2318936665	QWEMZNHUYAFXHX-PMPSAXMXSA-N	248.410	4.908	0	10	BJAE	
CC(C)(C)CC1CC(C=C[C@H]2CCCC[C@@H]2N)C1	2318951835	LYDAFNDDCGTESZ-FJBKBRRZSA-N	249.442	4.523	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)C1)[C@H](O)c1ccccc1	2319023521	FPZKXELOHNFCKP-FMKPAKJESA-N	246.394	4.573	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cc(F)ccc1C1CC1	2319171317	MNCNSTADGXLHNN-OAHLLOKOSA-N	249.373	4.529	0	10	BJAE	
CC1=C(C)C[C@@](N)(C[C@@H]2CCCC3(CC3)C2)CC1	2320386864	AZDWWEJLGUXCLI-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](N[C@@H]1CCC(C)=C(C)C1)c1occc1C	2320409307	SWQBVJAFGNOILJ-CABCVRRESA-N	247.382	4.518	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@H]2CC=CCC2)c1	2320513490	BCBUXCQWSNOSEK-WMLDXEAASA-N	243.394	4.556	0	10	BJAE	
CCc1cccc(NCC[C@H]2CCC(C)(C)C2)c1	2321600651	QXKRSJIVAMOJRT-OAHLLOKOSA-N	245.410	4.877	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC(C)(C)C1)[C@@H]1CC=CCC1	2321631173	NOQUZSLDFFOSSJ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC=C[C@]2(C)CNC(C)(C)C2)C1	2321637838	VSSRADKAKQWFQI-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2C(=O)C[C@H]3CC[C@H]2C3)C1	2321649050	NFDLMLGDHMOFCJ-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)c1ccc(C)cc1	2328274779	RJBLDEKOLBGNDF-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CCCC(CCC)Nc1ccc2[nH]ccc2c1	20009948	SLOYOQYQBFXPIO-UHFFFAOYSA-N	230.355	4.549	0	10	BJAE	
CCCN[C@@H](c1ccc(CCC)cc1)[C@@H](C)CC	35582846	VRNXYGRZYPOFKH-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CCC[C@@H](N[C@@H](CC)C(C)C)c1ccccc1	37300069	BMSYFJSFIOXZLO-JKSUJKDBSA-N	233.399	4.552	0	10	BJAE	
CCCN[C@H](CC1CCCC1)c1ccc(C)cc1	37864921	FFAVFNYYQOHDMT-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCCC[C@@H](C)NC1CCC(CCC)CC1	71105533	UVHLFBLSCXHKFR-WLYUNCDWSA-N	225.420	4.514	0	10	BJAE	
CCC[C@@H](CCC(C)(C)C)CNC(C)(C)C	71127007	DMTPAPOZSCDJHF-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCCc1cccc(-c2ccccc2)c1	71788869	BNFIHGZZWSUHRL-UHFFFAOYSA-N	210.320	4.696	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCC[C@@H](C2CC2)C1	81624231	UWBBHTGFTYYDOH-HZPDHXFCSA-N	243.394	4.630	0	10	BJAE	
CCCC[C@]1(N)CCC[C@H](C(C)(C)C)CC1	83438576	WSWQOFFHXOUSAE-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CSc1cccc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1	84981234	XILNQYPBDNWIKB-SGMGOOAPSA-N	249.423	4.645	0	10	BJAE	
CC[C@H]1CCC[C@H](Oc2ccc(C)cc2C)C1	85155085	PALCAKUWLZQRDC-GJZGRUSLSA-N	232.367	4.651	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H](C)C1CCCC1	85388093	XXVCPXMKOMUVPU-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CCC(CC)(CC)Nc1nc2ccccc2s1	86642958	USTDTKUZGMQZRC-UHFFFAOYSA-N	248.395	4.677	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@]2(O)CCCC(C)(C)CC2)C1	86920341	TVVKUTSKCTUBIS-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCOc1cccc(N[C@@H](CC)C[C@H](C)CC)c1	109912027	HPRXELBXSMDWCO-KGLIPLIRSA-N	249.398	4.712	0	10	BJAE	
CC(C)c1ccccc1NCCc1cccs1	111451563	JTSOMWNOSGFBFU-UHFFFAOYSA-N	245.391	4.526	0	10	BJAE	
Cc1ccc2ccccc2c1-c1cccc(C=O)c1	116990544	MTELCJZDMIMFRY-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)c1coc2ccccc12	122908939	ISPDQCUUBWOUGR-AWEZNQCLSA-N	245.366	4.520	0	10	BJAE	
CCC1CCC([C@H](O)CCC2CCCC2)CC1	125520888	HOYACGUYEOXBPH-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)NCCCCC(C)C)c1	132677308	BNISAOSRHWRXLB-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCCC[C@H]1C(C)(C)C	147964539	VVSZLCOFEXHTHW-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccc(C(C)(C)C)cc1	165061497	RKLHVOGMQCZDGX-ZDUSSCGKSA-N	246.394	4.993	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2cccc(C)c2F)C1	166328505	IIKNPFOMCOFFNT-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
CC(=C(Cl)Cl)c1ccc(Cl)cc1	196684027	VMLOTAKBNQVDJL-UHFFFAOYSA-N	221.514	4.506	0	10	BJAE	
c1ccc(C2CCC2)c(-c2ccc3c(c2)CCN3)c1	229615879	ZQQYWGXDXRNFSQ-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCC(C)(C)C[C@H]1C	251351942	QSYUBISDZJDRTD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@H](C)CNC1CC1	251373584	QUGXNCULNGBWNB-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1ccccc1Cl	300848284	KQODENJHROPHFI-ZDUSSCGKSA-N	239.790	4.556	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CCC1CCCCC1	302237618	BHEOYAXYSZSROM-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CCc1csc2c(SC)cc(Cl)cc12	306614832	OXVJULBZXRQGPG-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1)[C@@H](CC)CC(C)C	308049631	FUVDAJHHQNVFRS-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
C[C@H](C[C@@H](O)c1ccsc1Cl)C(C)(C)C	308355232	MAEGAXIJASGUFI-PSASIEDQSA-N	246.803	4.507	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H]1CCC[C@@H](C)C1	310128372	JYOCDKHPFVJNMM-OAGGEKHMSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC(C)C)C1(CCC)CC1	310153694	GLTBVBRECZGELO-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(=O)CC(C)(C)C[C@H](C)C1CCCCC1	310353674	RHZHPRYQDTYHCR-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@](CC)(CO)C[C@H]1CCC[C@H](C)C1	310473915	CDWXATFIIPWRSV-JYJNAYRXSA-N	240.431	4.782	0	10	BJAE	
C[C@@H](c1ccccc1)[C@H](O)CCC1CCCCC1	310697857	WLWJKGMJLVVXDG-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
C[C@H]1CCc2[nH]c(C3CCCCCC3)nc2[C@H]1C	310910381	HBOARHAXUVYWFO-RYUDHWBXSA-N	246.398	4.533	0	10	BJAE	
CC1(C)CCC(CC[C@H](N)c2ccccc2)CC1	310990282	LCIKOCURXDTETM-INIZCTEOSA-N	245.410	4.683	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H](C)[C@H](C)CC	320012601	VNOPNNMEXZWPEA-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CC(C)NC[C@H](C)CCC/C=C\c1ccccc1	324172972	RFLRSFVQWKHAJS-MRDWYFFCSA-N	245.410	4.504	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCCC23CCCC3)c1	328182130	NOAWRDWWUGXNOQ-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CC(C)CCCCCn1ccc2c(F)cccc21	383177313	UFONPDNULWCQBX-UHFFFAOYSA-N	247.357	4.997	0	10	BJAE	
CC/C(=C/C1CCC(C)(C)CC1)CNC(C)C	383556849	ZADUDXIEHNAZES-KAMYIIQDSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@@H](C)c1ccccc1	384991498	VFSVLDMJXQSNED-WBVHZDCISA-N	247.426	4.595	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CCC[C@H]2C)n1	385087342	XKNLWFYSVRXPJL-HBNTYKKESA-N	223.385	4.560	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)c1ccccc1	391139856	QVTUXHZQZBXGEQ-AWEZNQCLSA-N	233.399	4.554	0	10	BJAE	
CCCN[C@H](CCCCCC(C)C)CC1CC1	394722442	BXJDGVIHTNYALV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C(F)(F)F)c2c(C)csc2c1	396203764	VZINOSUNRGBRHY-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCc1cc(S)cc2cc(C(F)F)sc12	396241906	MCDYTIUASHJBMO-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H]1CCC[C@@H](CC)C1	400464603	NJBJMUACFMCLIV-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(COc2ccc(Cl)cc2C)c1	400952347	JGQGGIIKNLIWBB-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCCC1(CNc2ccc(C)c(CC)c2)CC1	687547043	PDJBCVGKEYJAGG-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CCC[C@@H](C)CNc1c(CC)cc(C)cc1CC	690189383	PJQOVRXKGMWKIB-CYBMUJFWSA-N	247.426	4.968	0	10	BJAE	
CCN[C@H](C1CCCCCC1)C1CC2(CCC2)C1	691917551	AJFVVAOXZZJYAQ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H](C(=O)CC(C)C)CC1	695054853	JJVPNUBGGIOKNG-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)CCC(C)(C)CC	696800145	RVXSQDIANOLQPM-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCNc1ccc(Cl)c(F)c1	703987066	MTYIFRGAKMVMGE-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCCCCC[C@@]1(N)CCC(C)(C)C[C@H]1C	704463836	WETJTRLZBIKIAH-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Oc1ccc(C(C)(C)C)cc1	704925475	LBJJXBVWKPCFIN-CJNGLKHVSA-N	246.394	4.942	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)c1cocc1C	705208846	SUPCMHBAGIYWLB-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
C1CCC(CCCNC[C@H]2CCCC23CC3)CC1	706294905	NWAKQAXKVQFHHH-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@H](C)CC(C)(C)C	708299531	YSVIEJKQBNGAPE-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1cscc1Cl	710436941	UDHGWMXWYLVZIU-NSHDSACASA-N	246.803	4.651	0	10	BJAE	
CCc1cc(N[C@@H]2C[C@H]3CCCC[C@@H]32)ccc1C	712481047	ISWUGBAOLDRZHI-HYVNUMGLSA-N	243.394	4.548	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CCCCCC1(C)C	713244247	PMUUKTHEJPZDHN-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
C=C/C=C/CC[C@]1(CNC(C)(C)C)CC[C@@H](C)C1	713737750	KMAXZPOVODLRLT-DBYORWSCSA-N	249.442	4.703	0	10	BJAE	
CC1=CC[C@@H](N[C@H]2CCCCC23CCCC3)CC1	1205944522	ZCZFYHDJWOYPJF-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
Cc1cccc([C@H](C)S[C@@H](C)C(C)C)c1	1640954495	ASAATYLICRBTGY-STQMWFEESA-N	222.397	4.834	0	10	BJAE	
C1=C(CCNC2(C3CCCCC3)CC2)CCCC1	1655043209	UOFXYRAQZRUGOX-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC1(C)CCC[C@]2(CCN2CC2(C)CCCC2)C1	1875949299	KNUHFNCDFDZJIQ-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)CCC(CC)CC	1900700325	CMEPXRRTXJJSNY-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CC(C)=CCC(=O)CC[C@@H]1CCC(C)(C)C1	1903414788	GZQWNUPOVHJUTC-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H](C)c1cccs1	1905304927	MPQWALRBJOAAHT-OLZOCXBDSA-N	239.428	4.567	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CC)C[C@@H](C)CC	1905352779	FEBBINHYCKQPTK-KKUMJFAQSA-N	227.436	4.747	0	10	BJAE	
CCC=C[C@@H](C)Cc1ccc(CCC)s1	1911859409	ZLPWUQYKRWFFBR-GFCCVEGCSA-N	222.397	4.845	0	10	BJAE	
CCCC=CCN[C@@H]1CCCCC[C@H]1C(C)C	1914680493	SUJRRCXDPOHGLK-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](O)(CC)CCC[C@H]1CC1(C)C	1919538926	QJOHBWUYOXKWJO-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC[C@@](N)(CCCC(C)(C)C)c1cccs1	1920193991	NXAUGGOBSZUIJW-CQSZACIVSA-N	239.428	4.529	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@@H]1C=CCCCC1	1925917863	OTDFHUXMJKLTPV-CYBMUJFWSA-N	249.785	4.807	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@H]1C=CCCCC1	1925920948	MCIACESJSSIKKE-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC1(C[C@@]2(N)CCC=CCCC2)CCCCC1	1940416805	TUWFOFMVIZBXHJ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCNCCCC1CCC(C(C)(C)C)CC1	1941145153	WLQGXFRTVADOKO-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](O)(CCCC1CCC1)[C@H]1CC1(C)C	1941470674	TWXFGYSNIJKLFU-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]([C@H](C)CCC(C)C)C1(C)CCCC1	1942660404	LSDHRZSDKDUUOV-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](O)CC1C[C@@H](C)C[C@H](C)C1	1944201999	GSKKHQUKSZRONF-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
Cc1ccsc1[C@@H](C)N[C@H]1C=CCCCCC1	1946324781	JEPZSNBEXKTSDP-KGLIPLIRSA-N	249.423	4.596	0	10	BJAE	
CC(C)C[C@@H](C)C1(N)CCCCCCCCC1	1947881881	UFPAFJHMBDTZGS-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CCCCCCC1(CNCCC)CC2(CC2)C1	1948158155	RMLIYQKJELJELP-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CCC(C)(C)C1CC1	1948321629	NELJDAWGDNLPAH-XJKSGUPXSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C1=CCCCCC1	1948976305	DQXCXHRNCRDBDL-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCCCC[C@](C)(N)CC[C@@H]1C[C@H]1C1CC1	1949011960	RBEMAYKKUZIZDA-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@@H](C)C(C)(C)C	1949044877	BTEFTWLJORUQQO-UMVBOHGHSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CCC[C@@H]1CC1(C)C	1949055140	PNDJTFJQGWZMPY-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1CC(=O)CC1CCCCC1	1949907250	LZLZTXPJYNITRN-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1	1950299239	UJENLMGJZFQZLQ-CLLJXQQHSA-N	249.785	4.639	0	10	BJAE	
C[C@@H](C=C1CCC[C@@H](CCN)C1)CC(C)(C)C	1950512242	FSOVGJYQUBUDEZ-KBPBESRZSA-N	237.431	4.524	0	10	BJAE	
C[C@H](C[C@@H]1CCC[C@H](CCN)C1)CC(C)(C)C	1950518075	TYRXXACGZJZDCM-KFWWJZLASA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H](C)C1(O)CC2(CCC(C)(C)CC2)C1	1950544396	TUNAEZVHLZSMSA-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CCCC(C)(F)F)CC1	1950930704	QUUHLNRJEWGFDF-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](CNCc1ccccc1C(C)C)C(C)C	1963169521	TYTPCRDRDWJMCV-OAHLLOKOSA-N	247.426	4.582	0	10	BJAE	
CC(C)(C)C1=CCN(CCCCCC2CC2)CC1	1966356056	BOWGHVYYWSCGKF-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCc1cccc(C)c1NC[C@@H]1CCC(C)(C)C1	1968262277	IKEVRWVCJLTZAZ-CQSZACIVSA-N	245.410	4.796	0	10	BJAE	
F[C@H]1CC[C@@H](CNc2cccc(C3CCC3)c2)C1	1971535656	WFDSKWORPJHAAU-DOMZBBRYSA-N	247.357	4.504	0	10	BJAE	
CC(C)c1csc([C@H]2CCC[C@@H](C)CC2)n1	1976348570	CZERRSJZJJMWLX-NEPJUHHUSA-N	237.412	4.950	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCCCCCC[C@@H]1O	1980351743	QJPYCHGNFGJFLX-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](CC)NCCCC1(C)CC1	1990092128	VOCMUSXJLVEKCC-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCN[C@H](CC)[C@H]1CCCC2(CCCCC2)C1	1996647919	SYCCRFUKPATRQL-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC2CCCCC2)CC1	1997101069	WEPFFACIALKIPE-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)[C@H](C)[C@H](C)CC)CC1	1997102121	CLXOIKNRJAGHHV-DGXTUMSLSA-N	240.431	4.636	0	10	BJAE	
CCC1(CN[C@]2(C)CCCCC2(C)C)CCC1	1997426451	NGOONINSUILORV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](CCC1CCCC1)NC	2000324548	UJOWNWFJPPNXOO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)CCCCCC1CC1	2000910114	WGNCPFHCASPINB-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
Cc1scc(C(=O)C[C@@H]2CC23CCCC3)c1C	2001253300	DVPLXWFOURJJFN-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCC)C1CC(CC)C1	2002310110	ZREUSZZPZQNPNN-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)C1CC(C(C)(C)C)C1	2002324400	GCOJEVLEYLDQKS-HSBZDZAISA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)CCCC(C)(C)C)C1	2003012858	CNYZPTJNWKFQRJ-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(N)[C@H]1CCC[C@@H](C)C1	2003014106	KSJXPEXOHDKVIS-UGUYLWEFSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@@H]1CCCC2(CC2)C1	2003212553	XTPRMEAHVZLVDG-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@H]1CCCC2(CC2)C1	2003221439	OYRKQQPPAYXGHM-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@@H]1CC=C(C)C	2004228798	XYFOQSPJFUGBLG-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2CC[C@@H](C)C2)CC1	2004337391	QSJAOPQKXSQDRC-WXLSXGNJSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCC(C)(C)C2)CC1	2004341724	MGCCFVDWXLMKSL-NPCAHTBFSA-N	237.431	4.514	0	10	BJAE	
CCC1(C)CCC(O)([C@@H](C)CCC(C)C)CC1	2004353458	PVIRZJHGQTZQPX-FHERZECASA-N	240.431	4.780	0	10	BJAE	
CC1([C@@H](N)CC2CCCC2)CCCCCCC1	2004920169	HOUSNUBWQGCEQT-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)C[C@@H](N)[C@H]1CCCCC12CCC2	2005591422	FVEXZCBCBFYMPN-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@H](C[C@H](C)C1CC1)NCCC	2009597058	ZAITXXVPAZZODL-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)C(C)(C)C1CCCCC1	2015272952	RNAKGNXIPGYBGE-ZFWWWQNUSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(CCC(=O)[C@H]1CCC[C@H]1C)C(C)C	2015394392	NTQMJXIIQAQHBZ-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CCCC[C@H]2C)CCC1	2015636409	XEUUTNYVUIXNHA-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CC[C@@H]2C2CCC2)c1	2017043087	NEKNHWQMAXUXRM-OCCSQVGLSA-N	249.785	4.639	0	10	BJAE	
CC(C)C(N)(CC1(C(C)(C)C)CCC1)C(C)C	2017138689	MSDHEIYHWJMXQZ-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)C[C@H]1C[C@H](C(C)(C)C)CCC1=O	2017461292	IGEOHFBQMXMCSB-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
CCCNC[C@H](CCC)C[C@H]1CC[C@H](C)CC1	2017722766	HQQPRLBNZGJWOL-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(C[C@@H]2CCC(=O)[C@@H]2CC)CC1	2017774637	QZTPMNDGUCQMBN-PFSRBDOWSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CN(C)CC(CC)(CC)CC)CC1	2018949593	HKXHQGCGLHIEAY-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCCCN(C[C@H]1CC[C@H](C)CC1)[C@@H](C)CC	2019449711	DJQAWEDOLKDVDK-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CCSc1cccc(N[C@@H]2C=CCCCC2)c1	2019511162	WLAYJUSWRZGABW-CYBMUJFWSA-N	247.407	4.709	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)CCCCC(C)(F)F	2023303476	DGIUJMYBEZHVKP-OCCSQVGLSA-N	248.357	4.533	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCCC[C@@H]2N)C1	2024096536	VOAXPRDPAHYWFE-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@H](N)C2CCCC2)C1	2024101597	LYEHZCQAQLFTTO-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2CCCC(C)(C)C2)CC1	2024101824	NLRSEOOOQJJBTR-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C(C)C)C2)c(C)c1	2025571627	DGQJEZDNAWBJIB-LSDHHAIUSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	2026073443	HOQXBINGCKIHQM-AYDFFVQHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCCC(C)(F)F	2026078434	DGBXOPJSXZHDFO-LBPRGKRZSA-N	248.357	4.988	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCCC(C)(F)F	2026166663	LKTYRTOFGRSEQF-CHWSQXEVSA-N	249.389	4.746	0	10	BJAE	
C[C@H](C[C@H]1CC2CCC1CC2)c1ccc(N)cc1	2027947492	IWYKCXWEZOPFAJ-XCAIRMDXSA-N	243.394	4.589	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1ccccc1C1CC1	2028559379	GEGZDQFTNQQSSC-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CCCCCC2CC2)c1	2028629811	CXOKRJCOQQCWNA-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
Cc1cc(N)c(F)c(-c2ccccc2C(C)C)c1	2028924897	UOVRISUUUNREIG-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
O=C(CCC1=CCCCC1)C1CC[C@@H]2C[C@H]2CC1	2028972433	KBICRMGAKBOXDF-HZPDHXFCSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)[C@H]1CCC(C)(C)C1	2033388021	PNAUDTZKGZERDG-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)c1ccccc1C(C)C	2036377741	WGUGPVCMEVGQMO-WMLDXEAASA-N	247.426	4.666	0	10	BJAE	
CCOc1cccc(N[C@@H](C)[C@H](C)CC(C)C)c1	2036382480	LXXBRTCBCPVGLW-KGLIPLIRSA-N	249.398	4.568	0	10	BJAE	
N[C@@]1(C[C@@H]2C=CCCCC2)CCCC12CCCC2	2037273066	LNOJJIGSOFDMJI-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC(C)C[C@H]1CCCN1[C@@H]1CCC2(CCCC2)C1	2037672904	QUWZEZOKLSBYMK-HZPDHXFCSA-N	249.442	4.610	0	10	BJAE	
CCCC[C@@H](C=C1CCC2(CCNCC2)C1)CC	2037730966	QAPVGFMZUAHCSI-HNNXBMFYSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2[nH]c([C@H]3CCCC3(C)C)nc21	2038008041	VDRJWHDMLUYJBD-IJLUTSLNSA-N	246.398	4.704	0	10	BJAE	
CCC1CCC(CN)(CC2CC3(CCC3)C2)CC1	2038081260	QBAHAEBAAPPPDA-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2041384029	RNQONMWJJNRVSC-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(CC2(N)[C@H]3CCC[C@H]2CC3)CC1	2042051461	HMJDOLNAGIVJGK-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccc(O[C@@H]2CC[C@H]3C[C@@H]3C2)cc1	2047350874	VLZUTSRPYXQXHC-WOSRLPQWSA-N	244.378	4.552	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)[C@@H]1CCC[C@@H](C)C1	2049539614	IBIQWERAPRHACN-MRVWCRGKSA-N	249.373	4.761	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC1[C@@H]2CCCCC[C@@H]12	2049704317	MFEZKDXQJVDXAL-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C=CC=CCC[C@H](CC1(C)CCCC1)NCCC	2049804920	RXKJOVKEYGDXAW-MRXNPFEDSA-N	249.442	4.847	0	10	BJAE	
CC1(C)CC(CC(=O)CC2CCC3(CC2)CC3)C1	2049937418	FJQYOADSAGIINQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H](N[C@H]2CCCCC23CC3)CC(C)(C)C1	2053345616	KBXMSTADUPJQCO-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H]1CCCCC12CCC2	2053428282	BJPCYVARHHJBFF-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
Cc1ccc([C@H](N)C2(C)CCC(C)CC2)cc1C	2056562359	KTZPLSYTNXFTBB-PDOTXMHQSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)C=C2CCCCC2)C1	2056917261	QMJDTFRWKSXHKH-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCc1ccc(CC)c(NC2CC(C)(CC)C2)c1	2058834397	BFJQHUJYFZMTPJ-UHFFFAOYSA-N	245.410	4.802	0	10	BJAE	
C[C@H]1CC=C([C@@](C)(N)[C@@H]2CCCC(C)(C)C2)CC1	2060912925	HXRHGPQRDOUBBF-YSVLISHTSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@H]2CCC[C@@H](C)C2)CC1	2061099333	OIYDACITOUDIKP-JHNDHUHGSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCCC1)CC[C@@]12CCC[C@@H]1C2	2061607338	QGRXDSAPHBQJGD-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](CC1CC(=C2CCC2)C1)[C@H](C)C(C)C	2061736777	KIKSJIWXXAIYEU-CXAGYDPISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC1CC(=C2CC2)C1)CC(C)C	2061742159	VEMBSUUACZURBR-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063523760	FNEAISKDPCLIHL-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)C=CCC2(CCC2)C1	2063635801	MFZIKFNYAQQXBZ-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](Nc1cccc(F)c1C)c1occc1C	2063672355	RNHHJTIAIXVCDS-CYBMUJFWSA-N	247.313	4.599	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C12CCCC1CCC2	2063831793	YSELCNDTFHUTEO-CGZBRXJRSA-N	247.426	4.565	0	10	BJAE	
CCC1CCC(=C(C)c2ccc(CN)cc2)CC1	2067351196	CIKNXFRDYMGYIB-UHFFFAOYSA-N	243.394	4.519	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@H]2C=CCCCC2)CCC1	2071929774	DINLBFXYJDRUEA-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
C=C=CC[C@@H](CC1CCC(CC)CC1)NCCC	2072795395	DDMKOTWJFKGCHE-JCYILVPMSA-N	249.442	4.692	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cccc(C2(C)CC2)c1	2072825913	ZMNOLUKTWZGCMZ-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
CCCC1CCC(CC(=O)[C@]23CCC[C@@H]2C3)CC1	2072876386	ZUVQKNUIPKZPJP-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@]12CCCC[C@H]1C2	2074030228	RXDRCSMFURKEKX-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1ccc(C)c(C)c1	2077188609	YWQDSMSPTMIUIE-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
c1ccc(C2CCC2)c(NC2C[C@@H]3CC[C@H]3C2)c1	2077264891	CZVJFZMHUKJVIS-KBPBESRZSA-N	241.378	4.555	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@H]1C[C@@H]1C1CCCCCC1	2079431505	LQMRMHZYGSNOQW-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@H]1C[C@H]1C1CCCC1	2079482085	DBPVJISAUODXSC-HOTGVXAUSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC(C(=O)[C@@H]2C[C@@H]2C2CCCCCC2)C1	2079488624	VKXLGCXKJPKSEK-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@H]1CCC[C@@H](C)[C@H]1C	2081137410	PJJDSINTRWOKDV-AIANPOQGSA-N	245.410	4.504	0	10	BJAE	
CCCC1CCC(CC=C2CCC2)(CNC)CC1	2081682472	XGYXDTBBZFIGMG-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCc1cc(F)ccc1NC[C@@H]1CCC[C@@H](C)C1	2081946419	HFDHLKORNXSVNT-CHWSQXEVSA-N	249.373	4.626	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@@H]1C[C@H]1C=CCCC1	2083016143	APBSKMSLBUZEFY-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1C[C@@H]2CC[C@H](C1)N2CCC1CCCCC1	2084509470	BDBJEFWTXMQFKY-XGBSXSJOSA-N	249.442	4.610	0	10	BJAE	
CCc1cc(OC)c2occ(C[C@H](C)CC)c2c1	2086605728	LOTOWMVLFMRLPC-LLVKDONJSA-N	246.350	4.592	0	10	BJAE	
CCC1([C@H](CCCCCCC2CC2)NC)CC1	2213572562	XQQJPAUCXXAEIB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@@H]1[C@@](C)(N)CCCCCCC1CC1	2213574813	YOEAPFJKEZPBFT-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
C[C@@]1(O)CCC[C@@]1(C)CCCCCCC1CC1	2213576561	REROIHNEXFMZLN-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CC[C@@H](C)N1CCCCCCC1CC1	2213583979	YBRBUWZNKPTKMG-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H]2CC[C@H]2C)CC1	2214947400	BJPOGKKAFPNVEI-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@](C)(N)CC1CCCCC1	2215258387	XTTPCCMATKMSQE-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCC(O)(CC[C@@H]2C[C@H]2C)CC1	2215279380	BCEMFRWWFGDMAK-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCCCCN[C@H]1CCC[C@H](C(C)(C)C)C1	2216259625	UWSAYQIFSZRQJR-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@@H]1[C@H](O)CCCCCCCC1CC1	2216862444	YWHFDWVVPIYBSF-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CCCNC2CCC2)CC1	2217155195	AGAIEHYWZVAARG-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC2(CCCN2CCC2CCC2)CC1	2218015914	ADYJMSRVTTYOHI-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCC1(CC(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218336168	ZILOJMHVUVYBHX-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC)c1ccc(CCC(C)(C)C)cc1	2218534806	PNKIEKIVXHDQIX-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
COC[C@@H]1CC[C@@H](CC/C=C/c2ccccc2)C1	2219069735	LFIBXTHHQWPTFU-AQBSSDIKSA-N	244.378	4.543	0	10	BJAE	
CCN[C@@H](C/C=C/c1ccccc1)C[C@@H](C)CC	2219089241	ZFIKLCBENJHSAS-BSBMYWPDSA-N	245.410	4.504	0	10	BJAE	
O=C(CC=Cc1ccccc1)C1CCCCCC1	2219094997	MUMJJBXIGQOWHM-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
CCNC[C@@]1(CCCCC2CC2)CCC12CCC2	2220031626	WTYFXJGLENJEFE-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)[C@H]1CCCCC12CCC2	2220879285	PJMSNVJAILXOEX-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCCCc1ccc(NCC[C@H]2C[C@@H]2C)cc1	2220932857	OKSIRMRJVASTSO-HOCLYGCPSA-N	245.410	4.877	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2CC(CC3CC3)C2)C1	2221077328	XFHXNRGRBUSQBM-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C1CC(CC)C1)[C@]1(C)CC=C(C)CC1	2221628850	DJPNEZSKKKUIIZ-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@H](C)c1ccc(C)cc1	2223967920	IALKNVZBMNPDMS-UXLLHSPISA-N	247.426	4.513	0	10	BJAE	
CC[C@@H](N)C(C)=CC[C@H](C)CCCC(C)C	2244844922	IOHIWCCWICVJGE-UKRRQHHQSA-N	225.420	4.523	0	10	BJAE	
CC[C@H](C(F)F)n1ccc2ccc(Cl)cc21	2246139910	HRJJLCAMUQOZBX-SNVBAGLBSA-N	243.684	4.511	0	10	BJAE	
CC[C@@H](C[C@H](O)CC1(C)CC(C)C1)C(C)(C)C	2246528511	ZUTDOLXXFIBBQE-WJEHIRDRSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)C[C@@H]1CCCCC12CC2	2246612565	ZIKMSAVBOUUFHE-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CCCCC12CC2)NC	2246620927	RBDHYKSDISOOTG-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCNCC(C)(C)CCC[C@H]1CCC[C@@H](C)C1	2246666963	WXEKTMILBFUDAM-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CCCC[C@@H]1C[C@@H]1C	2247172515	AQOWTKSBQXYWPU-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CNC(C(C)(C)C)C(C)(C)C)C(C)(C)C	2247735022	ZIKYCRDUNQNRON-LBPRGKRZSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1CCCC(F)(F)C1	2250357726	XMIZTCSKIHFVLA-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](CC)CNC[C@H]1CC[C@H](CC)CC1	2250381659	QLEJBGWIPJYACE-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
Cc1csc(C(=O)C[C@@]23CCC[C@H]2CC3)c1C	2251192317	AQCHDPHQBPAAMP-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CC1=CC[C@](N)(CC[C@@H]2CCCCC23CC3)CC1	2253815903	FQSYYGKTVGFDEA-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@@H]2C[C@H]2C)c(F)c1	2254587736	GBVNXZLGWKLPHD-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@H]2CCC2(C)C)cc1	2254835398	UMBSYHYLMRDSPF-CVEARBPZSA-N	246.394	4.670	0	10	BJAE	
Cc1ccc2c(ccn2C[C@@H]2CCC23CCC3)c1	2254975716	JVWPETWIWGXYHE-HNNXBMFYSA-N	239.362	4.530	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](CC2=CCCCC2)C1	2255097598	UTYGOOCPIZOZKL-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CCC1(C)CC([C@@H](N)CC[C@H]2CCCC23CC3)C1	2255275861	NBNNBDHXNFZUEO-FYRZTWFESA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNC1(C2CCCC2)CC1	2257337178	DUGIJXIAIQVRSU-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)c1cccc(C2CC2)c1	2259435209	AMZMMDVFHJFDFH-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H](CC)C(=O)Cc1ccccc1C(C)C	2259438166	WADLUFIAKIRWIN-CQSZACIVSA-N	246.394	4.748	0	10	BJAE	
CC(C)C1CC(CC(=O)[C@]23CCCC[C@H]2CC3)C1	2260524955	QPQRQMGYRAOFFL-NDTCATRNSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CC(=O)[C@]23CCCC[C@H]2CC3)CCC1	2260550049	QWFXGENFSKGVBS-YOEHRIQHSA-N	248.410	4.886	0	10	BJAE	
CCCC1CC([C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2260604651	NKIMSQPVJMXPHP-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(NC[C@]23CCC[C@@H]2CC3)CC1	2260639014	QNCAPQIXZRNZDO-RDHHWEPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC=CC[C@@]1(N)CC1CC(CC(C)(C)C)C1	2261299128	HCNDQTZTVIFVNE-ARAOSMHQSA-N	249.442	4.523	0	10	BJAE	
CCCCCC(=Cc1ccccc1)CNC(C)C	2294299909	PLPQYDAYKDNROI-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC[C@@H]1C[C@@H]1CC)NCC	2298645967	FMYDUVBDNUMSGM-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@@]12CCC[C@@H]1CC2	2298721347	VEDFPQMGEAYWMN-OAGGEKHMSA-N	237.431	4.502	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21	2300681594	QKIFTBMMZWCFRG-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCC(C)(C)C[C@@H]1C	2300690051	FATGMVALPILFHH-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H](C)CC(C)(C)C	2300904301	NJTZQKOVRZKHRP-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@H]1CC[C@H](CC)CC1	2300907266	QLUQHRLLXOJJPS-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H]1CCC(C)(C)CCC1=O	2301836078	KDFJKCKTSMNILI-MELADBBJSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)CCC1=CCCCC1	2301947074	YEURZAYVUZDATQ-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC1CCC(c2nc(CCC3CC3)cs2)CC1	2302270743	JOWDMCDUUVQTPT-UHFFFAOYSA-N	249.423	4.779	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C1CCCCCC1	2303442782	NODMKWRLFRBOMW-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC2(O)CCCCCC2)CC1	2303532384	OYSAUPHGZPQUAY-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC[C@@H]1C[C@H]1CC)NCC	2303587664	KVLFJCQTKZQHQR-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
S=c1cc(CCCC2CC2)[nH]c2ccccc12	2304029776	IRXVTAYWPRLCLG-UHFFFAOYSA-N	243.375	4.630	0	10	BJAE	
CCCC1([C@H](O)CC[C@H]2CCC(C)(C)C2)CC1	2304357619	ARSKGOSSPCPHEV-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)C12CCC(CC1)C2	2307817416	OZIUVQOSKOCWBI-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CC[C@H](CC)CC1	2307894256	QGNOPRHQYGEMBA-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
N[C@@H]1CCCC[C@H]1C[C@@H]1C[C@H]1C1CCCCCC1	2311571966	UWWPFEKGBFWXFR-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)[C@@]12CCCC[C@@H]1C2	2312997162	GRTJDAJXFZRPFW-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2313324404	TXJZDZHMNUXHHY-SRABZTEZSA-N	246.394	4.518	0	10	BJAE	
CC(=CCN(CC1CC1)C1CC1)CCCC(C)C	2316512905	LGNNGEUFQUENAL-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCC(C)=CC[C@@H]1C[C@H](C)CC[C@@H]1CNC1CC1	2316532843	SWDQGBBDXQHQJR-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1(C2CC2)CCCC1	2316541215	ZAZJRBFHOJNBST-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1C[C@@H]2CC[C@H]1C2	2317936773	QQNAUEHGRXXYOR-PMPSAXMXSA-N	246.394	4.662	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)C[C@@]12CCC[C@H]1C2	2318581616	YPMFLNRFQCTZSA-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@H]1CCC(C)(C)C1	2319131711	RGMKRDCUQDULPI-SQWLQELKSA-N	248.410	4.764	0	10	BJAE	
O=C(C[C@@H]1CC[C@@H]1C1CC1)C[C@@H]1C=CCCCC1	2319578620	KDXFUIZZHSDQGQ-UKPHBRMFSA-N	246.394	4.518	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1C[C@@H]2CCCC[C@H]2CN1	2319869998	IWRLXKGWHJRHON-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)C[C@H]1CC[C@@H]1C(C)(C)C	2320251393	ZVPOFTQUFIGZSY-HIFRSBDPSA-N	244.378	4.640	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@H]1CC1(C)C	2320396838	FQLRMZPZBJVJMD-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCC1CC1)C[C@H]1CCC(C)=C(C)C1	2320409398	UIGGMBSXBZDAQH-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC12CC([C@@H](N)C3CCCCCC3)(C1)C2	2321585241	WESNZDOJDLRLHE-GTPINHCMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)CC[C@H]3CC[C@H]2C3)C1	2321652087	SUFASJAXEMLEGV-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccc(C=O)cc2)c1	2327672762	INQIFLFBBUHNJD-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)C2CCCCC2)c1	2327678596	XLCRSWAXEYTGIF-KRWDZBQOSA-N	245.410	4.699	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)C[C@@H]2CC2(C)C)c1	2327682314	PYAUGLRSRGTJAA-CZUORRHYSA-N	246.394	4.588	0	10	BJAE	
CN[C@@H](CCC(C)C)c1csc2ccccc12	35499581	RZUQIFRDJJLGFE-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
C[C@H]1CC[C@H](C)c2ncc(-c3ccccc3)cc21	49829054	NSQHAVYSBBHLSF-STQMWFEESA-N	237.346	4.749	0	10	BJAE	
C[C@H]1CC[C@H](Nc2cc(Cl)ccc2Cl)C1	70747659	LKHAEVDMXXDSHG-WPRPVWTQSA-N	244.165	4.594	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)C1CCCC1	71104165	CFJXDOTYEBDZEH-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H]1C[C@H]1C	71106428	ACYXOCCULZOJGB-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@](C)(CC)CNCC(C)C	71128238	IFSIOCKXERIADP-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCCN[C@H]1CCCC[C@H](CC2CCCC2)C1	80415325	JIEJQDDXHPAYFF-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c(NCCC(C)(C)C)c(Cl)c1	83367707	IFFAGJLADVNHLD-UHFFFAOYSA-N	239.790	4.805	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccccc2Cl)CC1	83427128	DCVHTNORDBUBGV-NEPJUHHUSA-N	237.774	4.721	0	10	BJAE	
CCc1ccccc1N[C@H]1CCC[C@H](C)CC1	86879162	XABZSWMPMWFPIK-ZFWWWQNUSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H](Nc1ccc(OC(C)C)cc1C)C(C)C	109912171	LTLOFXBUOQILKT-OAHLLOKOSA-N	249.398	4.629	0	10	BJAE	
Fc1cccc(-c2cccc3cccc(F)c23)c1	112733526	BUVNOOYAMVHZFZ-UHFFFAOYSA-N	240.252	4.785	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC(C)(C)C1)c1ccccc1	124982773	KMIRWVFCTPSQCP-CVEARBPZSA-N	245.410	4.696	0	10	BJAE	
CCC(CC)CC(CC)(CC)CNC(C)C	128411799	WWGPVPUGWWSSDN-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@H]1CCCCC[C@@H]1CNCCC	130788684	YMEMEPVYCMSNHT-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CCCc1csc([C@@H]2CCC[C@@H](CC)C2)n1	132080856	JLJZWRABXGUWCA-VXGBXAGGSA-N	237.412	4.779	0	10	BJAE	
CC(C)CCCCN[C@@H]1C[C@@H](C)CC(C)(C)C1	134295634	AOFKWCZXOXBZLU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1OC1CCCCCC1	149504663	CNZYDOMALMSERF-UHFFFAOYSA-N	238.758	4.750	0	10	BJAE	
CCCc1ccc(-c2ccc(Cl)c(O)c2)cc1	156715977	MHNDVOVWMXZSSM-UHFFFAOYSA-N	246.737	4.665	0	10	BJAE	
CCC1(CC)C(=O)C[C@H]1c1ccc(C(C)C)cc1	161729304	HNAZBQQSZMBEGJ-HNNXBMFYSA-N	244.378	4.673	0	10	BJAE	
CCCCCC[C@H](C)Nc1nc(Cl)cs1	165005894	FRXXTRWXRUXSNS-VIFPVBQESA-N	246.807	4.567	0	10	BJAE	
C1CCC(NC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	167846244	NBQXCCPWPQUQDL-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C(=O)C1CCC(C)CC1	168420766	GEHSQLDDIRDXRN-MOKVOYLWSA-N	224.388	4.598	0	10	BJAE	
O[C@H](CCC1CCCCC1)CC1CCCCC1	168799792	DPCDHXIYPYSITI-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(CC)NCc1csc2ccccc12	227217997	YRIQQHFWEDQQJU-UHFFFAOYSA-N	247.407	4.570	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](Nc2ccccc2F)C1	230765561	ICSVVYANLQIYTP-UONOGXRCSA-N	249.373	4.843	0	10	BJAE	
CCCCC[C@@H](C)Nc1cc(F)ccc1Cl	231813850	KWSAZUQMMXCKMT-SNVBAGLBSA-N	243.753	4.860	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H](C)c2ccccc2)c1	232229929	FXARABWYBOZYGG-LBPRGKRZSA-N	245.753	4.822	0	10	BJAE	
CCN[C@@H](C)c1cc2cc([C@@H](C)CC)ccc2o1	232359507	TWEGVFYDBJKYKR-RYUDHWBXSA-N	245.366	4.617	0	10	BJAE	
CSc1ccccc1N[C@H]1CC(C)(C)C[C@@H]1C	235072114	UKSKOHUPRPOPSE-AAEUAGOBSA-N	249.423	4.645	0	10	BJAE	
Cc1cccc2c1NC[C@H]2C1CCC(C)(C)CC1	235917129	YKZHRWRADVSZOQ-HNNXBMFYSA-N	243.394	4.721	0	10	BJAE	
CC1(C)CCC[C@H](c2cccc(C(C)(C)N)c2)C1	258326060	LOQUQLPECSHOPU-AWEZNQCLSA-N	245.410	4.564	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)C)C1(C)CCCCC1	302379684	PJQVJSPNFKLLLW-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CSC1(CNc2ccccc2C(C)C)CCC1	302493858	VISPRQJIGVIMPP-UHFFFAOYSA-N	249.423	4.508	0	10	BJAE	
CCCCc1ccc(N[C@H]2CCC[C@H]3C[C@H]32)cc1	302694894	UHOHSPVKKKRLBY-UAGQMJEPSA-N	243.394	4.630	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1cccc2ccccc12	305926155	IVIIQFKOIZXGFV-GUYCJALGSA-N	242.362	4.555	0	10	BJAE	
CC[C@](N)(CCCC(C)(C)C)Cc1ccccc1	305944944	SHYDSHZUNHQNQQ-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(CCC2CCCCC2)C1	306009506	WOQMWOJUYDRKGK-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H](C(C(C)C)C(C)C)[C@H](C)CCC	306112430	WTUXFUVJLUHQAX-GDBMZVCRSA-N	241.463	4.719	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](CC)CC(C)C)cc1	308102506	GWAPXEDUUYOHDX-OAHLLOKOSA-N	246.394	4.894	0	10	BJAE	
CC(C)CNC[C@@H](CCCC(C)(C)C)C(C)C	309990435	MICYDLKRZSKZFA-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C(C(C)C)C(C)C	310085658	AJEPYBYNTMDLAI-HUUCEWRRSA-N	242.447	4.882	0	10	BJAE	
CC1CCC(CC(C)(C)CCNC(C)C)CC1	310462485	YGLQELWGCWGJNR-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C(=O)C(C)(C)C(C)(C)C)CC1	310483937	MHZCAVRVOPAURH-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1CCCCC12CCCC2	310904103	WTWWDZLGCWMUPR-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H]([C@H](C)C(C)C)C1(C)CCCCC1	318885712	NFMSOIXHRGBQKL-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@H](C)[C@H](C)CC	319648650	FCEXPNXOVLTUJM-LVQVYYBASA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](N[C@@H](C)c1cc(C)oc1C)C1CCC1	322670947	HQPOYIOWSJRFTA-LRDDRELGSA-N	249.398	4.516	0	10	BJAE	
CCCCCC[C@]1(O)CCCCC12CCCC2	379965221	FOSHUDUAWDHYAC-INIZCTEOSA-N	238.415	4.822	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)CC1CCC(C)(C)CC1	380236097	ZAVPYQINFLZOGU-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@]1(O)CCC[C@H](C)CC1	381415630	ZNUSFPCCYAKCTE-YOEHRIQHSA-N	246.394	4.598	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H](C)CC(C)(C)C	384563027	IBBLIXSZMBGWCO-LLVKDONJSA-N	239.790	4.885	0	10	BJAE	
Cc1cc(N[C@@H](CCC(C)C)C2CC2)ccc1F	385468221	FIAYPIJFTOZHBB-INIZCTEOSA-N	249.373	4.761	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@@H](C)c3ccccc32)c1	385759553	UBBAFJPTDWOGLL-CXAGYDPISA-N	237.346	4.655	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)c1ccc2sccc2c1	386217639	JANYWDCUAAWXFY-IAQYHMDHSA-N	247.407	4.583	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCC1CCCCCC1	395064900	AXWWOZMFGYQHMQ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
COc1c(Cl)cc2sccc2c1C(F)F	396179252	ARNCUHOSYAEYQR-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](CC)[C@H]1CC1(C)C	397628053	NGHOZEKQAODPQF-CABCVRRESA-N	245.410	4.794	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCCCC1(F)F	397968057	SCZVFHHCPWPEOX-CHWSQXEVSA-N	247.373	4.513	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNCCC1=CCCCC1	401862842	ZYPKRKVVZSIIEA-SJORKVTESA-N	249.442	4.683	0	10	BJAE	
CCC1CCC([C@@H](C[C@@H]2CC=CCC2)NC)CC1	402140130	ILFRXLZREHVSGZ-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)(CCC(=O)C(C)(C)C(C)(C)C)C1CC1	405867348	GPVLPVZYVCMOEG-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CCCC2CC2)CC1	406038845	RQHUSZAIGMYPAE-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCOC1=C=CC(C(C)(C)C)=C[C-]1C(C)(C)C	575154600	BQTHLNYHGTZJOQ-UHFFFAOYSA-N	233.375	4.669	0	10	BJAE	
CC(C)(CCC[C@@H](O)C(C)(C)C)c1ccccc1	686653569	ZXFLLPVCQFNLBF-OAHLLOKOSA-N	248.410	4.542	0	10	BJAE	
CC1(C)CC([C@@H](N)c2ccccc2)CC(C)(C)C1	688346209	QMIREPGJWIIBMQ-HNNXBMFYSA-N	245.410	4.539	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@@H](C)C(C)(C)C)c1	688972589	ZKHZBAARWLYBNS-CJNGLKHVSA-N	248.410	4.916	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(O)CC1CCCCC1	689717574	REDJBPODQIWNJB-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](NCC1CC2(CCC2)C1)C1CCCC1	691950871	DXIYBPICRUPJEO-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
Clc1cccc(N[C@H]2CCCC[C@H]2C2CC2)c1	696050716	QEGJNHVXJVPUCK-GJZGRUSLSA-N	249.785	4.721	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1CC(C)=C[C@@H](C)C1	696677304	IJNGXNBRVOXDHN-YUELXQCFSA-N	238.415	4.556	0	10	BJAE	
CC(C)=CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	697597984	GUEHENRYGNUCPR-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CC(C)=CCC[C@H]1C[C@H](C(C)(C)C)CCC1=O	697835262	KLFBVLWEYTXJTR-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1CCCCC1(C)C	701379281	YRSVBMFEFOMXFI-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(N)CCCC12CCCC2	707766132	CNKCXMLQCFUTOI-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@]23CCCC[C@H]2C3)c1C	709115682	TUPXSNRUWZLPCK-HLLBOEOZSA-N	243.394	4.684	0	10	BJAE	
CC[C@@H](CNCC(C)C)C[C@H](C)CC(C)(C)C	709128634	SKIFAALIUWLRJP-LSDHHAIUSA-N	241.463	4.721	0	10	BJAE	
CN[C@H](CCCC1CCC1)C12CCC(CC1)CC2	710232900	GBHUUJRTNZSACN-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@H](C)c2csc(C)c2)cs1	710705429	KFTQFDXJYFDVRB-SNVBAGLBSA-N	237.393	4.600	0	10	BJAE	
CSc1cccc(NCC(C)(C)C(C)C)c1	713128795	XQDDPRZCOAUSDJ-UHFFFAOYSA-N	237.412	4.503	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(O)CC(C)(C)C(C)C	713145241	GWUFKPZGUNIDAG-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCCCC12CCCC2	713150921	CBOQYLHRNZGHKC-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C=C/C=C/CCC(=O)c1cccc2ccsc12	713680162	AFBOTDKIVULDBV-ONEGZZNKSA-N	242.343	4.606	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1NCCC1=CCCCC1	717486990	HDNIQNBQPHJVIQ-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCOc1cccc2ccccc12	718592643	HJVGBXKVWALEED-UHFFFAOYSA-N	240.346	4.965	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CNC2CC2)CCC[C@H]1C	718779433	MSEIYRFZSPRMAO-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@]2(O)CCCCCC2(C)C)CC1	719265374	BUNHVTSLCGEHQS-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCCCC[C@H]1Nc1cccc(F)c1	719277729	WYEAFPSOHHRNGS-CQSZACIVSA-N	235.346	4.597	0	10	BJAE	
CC[C@H]1C[C@H]1CC1(CNC2CC2)CCCCCC1	723072072	RHMNBRVKLNYVBN-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(C[C@@H]2C[C@H]2CC)CC1	723080561	ZRIZOWODESVLQH-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC3(CC3)C2)c(Cl)c1	723604202	UNKNTKGVSYFVAP-LBPRGKRZSA-N	249.785	4.783	0	10	BJAE	
C[C@H](NC[C@H]1CCCCC1(C)C)c1ccccc1	1168765834	MYFVCZUORZPWSL-GOEBONIOSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H](C)CCNCc1cc(C)c(C)cc1C	1179468760	NYVVWLPRMVTYCG-CYBMUJFWSA-N	247.426	4.528	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCCC(F)(F)C1	1258432434	QLGVXPHXPGYPJH-OLZOCXBDSA-N	247.373	4.513	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1cccc(C)c1F	1474086601	SNRFRLCNHFHBRH-OCCSQVGLSA-N	247.357	4.538	0	10	BJAE	
CCCCC1(NCc2ccc(C(C)C)cc2)CC1	1657112763	BQZHSHXZBXEEID-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
CCCCCN(C[C@@H](C)CC(C)C)C(C)C	1657224010	IPQBGVLWWUTNMC-HNNXBMFYSA-N	227.436	4.569	0	10	BJAE	
CCC[C@H](N[C@@H]1CC(C)(C)C[C@H]1C)C(C)(C)C	1658135251	DNUSBFSESDKZIP-MCIONIFRSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)CCC(=O)c1sc(C)cc1C	1900712516	KSASPLJHEGLJML-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@](C)(O)C1(C)CCCCC1	1908526504	LESDXAOJYIHSJQ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC=CC[C@H](CC)c1cc(C)ccc1O	1912029118	JSSFXYQISMEZGE-ZDUSSCGKSA-N	218.340	4.551	0	10	BJAE	
CCCNC[C@]1(CC2CCC(C)CC2)C=CCC1	1916377591	GBYDIWJUZJACNA-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CCCNC[C@@]1(CCCC(C)C)C=CCCC1	1916564063	NNFGCVNEQQVFEM-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H]2CCCC23CCC3)C1	1921610824	PQFQSIFYLUXLBE-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCC(C)C)C[C@@H]1C=CCCCC1	1925916108	RYQWXDVWNSFHEP-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1csc([C@@H]2C[C@H]3CCCC[C@H]32)n1	1936498740	AIZITLPVJIIHFD-IJLUTSLNSA-N	235.396	4.560	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCC(C)(C)C1	1937995422	BJFHHWLYEWRMQR-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@H](C)CC(C)C	1940415821	OTXWKJQKVSKSCN-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C[C@@H](O)CCC2(C)CC2)CC1	1940793601	VRLMAZLKZWVUTJ-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@H](N)CCC1(C)CC1)C1CCCCC1	1940794366	BSWJKDHPYVNRLP-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](O)C1(C)CCCCC1	1940875351	IPURTULMYXYRNM-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CCC(C)(C)CC)NC	1941268867	KHCGEBJCSNYRJW-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CCC2CCC2)CC1	1941473841	VBOVQXZLFKTDOX-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
N[C@H](CCCCCC1CC1)CC1=CCCCC1	1941585494	GPENNQSQSJWMGS-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(N)CCCCCC1CC1	1941595569	JBBBTSSKEMRJBY-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CC1CCC=CCC1	1941825534	IOKKYXVXTZPVET-JKSUJKDBSA-N	238.415	4.556	0	10	BJAE	
CCCCCCC(=O)[C@H]1[C@H]2CC[C@@H](C2)C1(C)C	1942443805	NCPHGNQCDYGSSH-KCQAQPDRSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)[C@H](C)CCC(C)C	1942661533	MJGGPFVVZXPGJO-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C(C)(C)C1CCCC1	1944634494	ICSWFTLLKDDWFI-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)C(C)(C)C(C)C	1944668232	LMUJORKVFKLMOZ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944848126	CBLUANPOLBUIRS-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	1945311279	LZHOGHJKPXMYDS-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
C1=C[C@H](Cc2cccc(C3CCC3)c2)CCC1	1947551540	HBXBGQKMGHJLMI-AWEZNQCLSA-N	226.363	4.853	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)cc1Cl	1948812961	XTFBAOZTCFJCDJ-JHJVBQTASA-N	249.785	4.557	0	10	BJAE	
CCC[C@H](CCC(C)(C)C(F)(F)CC)NCC	1948850257	KQMSQNKTBPFPBE-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C(CC)(CC)CC	1948931184	VGWDFBXLCHDKOO-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1C[C@@H](C)C[C@H](C)C1	1949015103	NVVRXJFYNRXWPS-KCQAQPDRSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC[C@@H](N)CC1CCCCC1	1949907020	JWVOZWZNXYGSEV-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1965990829	CFAZXADNJHXRRJ-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]1CN[C@@H]1CCCCC12CCC2	1967702725	HLLRNHSNPKLSQC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN(C)[C@H](C)C(C)(C)C)C1	1969040062	MXRXZXQHIGWVFH-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
CCc1cc(NC[C@@H]2CCC3(CC3)C2)ccc1C	1969679532	LHOUVXJEOUZJQP-CQSZACIVSA-N	243.394	4.550	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC2(C3CCCC3)CC2)C1	1970499292	HJYJVXAOZGVWGX-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CN1CC(C)(C)CC[C@H]1C	1970777199	CWQCNANNKFWQIQ-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1CCCCC12CC2	1972725078	JLESUCDPICUGJN-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@H]1CCCCC12CCC2	1972828985	GXQGYPYTVYLFJW-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NC1CCCCCCCC1)C(C)(C)C	1980337266	SBCCGRLTGVFHDF-ZDUSSCGKSA-N	225.420	4.514	0	10	BJAE	
CCCCCC1CC(O)(C[C@H](C)CCC)C1	1984693068	YFYKOUZBNZHAAH-WLYUNCDWSA-N	226.404	4.534	0	10	BJAE	
CCCC1(CC(=O)C(C)(C)CCC)CCC1	1988433354	QYKLRMZIXVRRPM-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@H](CC)N(C)Cc1cccs1	1990831740	BAWWYBJJAHZZEA-ZDUSSCGKSA-N	239.428	4.539	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@]2(O)CCCCCC2(C)C)C1	1996260132	MNSNLAUGNVITDH-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(CC(C)(C)C)C1CCC(C)(C)CC1	1996594544	NNOATHWUDDSFLV-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)C2CCCCC2)CC1	1997116486	KZPSCINYPBJZEE-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(CC(=O)C2(C)CC=CC2)CC1	1997601487	JBNBCMSGCOYRQV-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@H]1CCC=CCCC1	2000001442	MMQNBEDJJCAVIX-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC[C@@](N)(C1CCCC1)[C@@H]1CCCC(C)(C)C1	2000058625	OPXQRHIRUNNUGC-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC1(C)CCCC1	2000189465	XNIGODSJDJEVNX-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](CC)(CNC)CC1CC(C)(C)C1	2000505896	VXACDKZFHWAIDS-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CN(C)[C@H](C)[C@H]1CCC[C@@H](C)C1	2002977316	WYHPJALFOGWHQU-FMKPAKJESA-N	239.447	4.569	0	10	BJAE	
CC[C@H](CNC1CCCCCCCC1)C(C)C	2003101111	SVQMXPCFXNBZKK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCCCCC[C@@H]1NC	2003116816	LHEAMOSMHRCYMT-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H]1CCNC12CCCCC2	2004704972	DQJSQTCVAFADKA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CO)CCCCC1(C)C	2005586722	PXBZKLKHSLGCAW-MRXNPFEDSA-N	240.431	4.782	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](CC)C[C@@H](NCC)C1	2006630310	IFQXTMRKVOMGCP-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1C[C@H](O)C[C@@H](CCCCCC(C)C)C1	2006645311	OMXIIZQYTRILMT-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@@H]1CCC[C@H]1C	2006757912	GRVPZGWWQHABJK-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](C=C1CCCCC1)c1csc(C)c1C	2007948917	XEEDPUUMUWILMY-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C2CCCCCC2)CC1	2009403788	GWECLLHSFRTJKB-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)CC[C@@H]1O)C(C)(C)C	2009420127	NEEPPKQWWZPPLZ-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CC=CCCCNc1ccccc1C(C)(C)C	2009594865	WHYNJTMSIPLCNF-UHFFFAOYSA-N	231.383	4.752	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H]1CC[C@H](CC)CC1	2009615753	BORMXRWBDWRFAN-QPSJONLNSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1CC(=C2CC2)C1	2011068821	SXTPLUNXNHLZJZ-CYBMUJFWSA-N	234.383	4.662	0	10	BJAE	
Cc1c(C(=O)C2(C)CCC2)sc2ccccc12	2014304298	QJHPBJCAQUPRSS-UHFFFAOYSA-N	244.359	4.583	0	10	BJAE	
CC1([C@@](C)(N)CCCCCC2CC2)CCCC1	2014338214	HQEJQVYNXLOCMH-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CCC(C(C)C)C(C)C	2015345372	RELWMWKGNPUMSA-AWEZNQCLSA-N	241.463	4.848	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H](CC)C(C)C)CCC1	2015641271	BXSBOIHSHBVDPP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC1(C(=O)CC2(C(C)C)CCC2)CCC1	2017130144	YLGHQXBEDOKOKF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)CC1(C(C)(C)C)CCC1	2017138959	PTUFEJPIIFTGOZ-ZDUSSCGKSA-N	239.447	4.602	0	10	BJAE	
CC[C@](N)(CC1(C(C)C)CCC1)C1CCCC1	2017141533	CRDYRZJUXWNZMH-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CC[C@@H](CN)C(C)C)CC1	2017732711	DFBNYSCKJBLAAD-GPANFISMSA-N	239.447	4.604	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@H](C)CCC(C)C	2019408762	JBJSFOHYEGCWBX-OAHLLOKOSA-N	241.463	4.959	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)C1CCCCCCC1	2019416763	XNWQDRZPQBMLLI-OAHLLOKOSA-N	239.447	4.856	0	10	BJAE	
CCCC1CCC(CC[C@@]2(C)CCCN2)CC1	2020816513	KAVJUTOIBTUAMR-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](N)[C@H]1C[C@@H]1C1CCCCCC1	2022388501	RBIXWZLHDUTWEU-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)C[C@@H](C)C(C)(C)C	2022684253	TXWLKBZGMASCSB-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CC1CC(CC)C1	2025353824	YWCLAAPYQCLIHF-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@@H]1CCC(C)(C)C1	2026171626	WOSNFLDYXORUMQ-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)C1=CCCCCC1	2026943344	VYPLCYGKFHFXDO-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)c1ccccc1C(C)C	2027516966	BBBHKVVGJSGTLV-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
CC[C@@H](NCCC[C@H]1CC1(C)C)c1ccccc1	2027823240	VPKOXZPRSXDROC-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc2nc([C@@H](CC(C)C)C(C)C)[nH]c2c1	2028257263	HYEYYSGPEOPANB-ZDUSSCGKSA-N	244.382	4.657	0	10	BJAE	
CC1(CCC(=O)c2cccc(C3(C)CC3)c2)CC1	2028556020	YYESUTMNBCNXCR-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)CC1CCC=CCC1	2028876052	USRKVMMVLNONTA-UHFFFAOYSA-N	248.410	4.764	0	10	BJAE	
Cc1cc(C)c([C@@H](O)[C@@H](C)CCC(C)C)c(C)c1	2029839185	XTMKPSNGJBHXFO-GUYCJALGSA-N	248.410	4.718	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H]2CC[C@H](C)C2)cc1	2033399249	AJNNCPYBRFPUMA-BBRMVZONSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)C[C@@H]3CCCC[C@@H]3C2)C1	2034160690	OGLNEYDDXYSBCA-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H](C2CC2)C1	2035403447	JSVFYLFXOIVVOB-TWMKSMIVSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@@H]1CC12CCCC2	2036093417	IKIPIJCNSYXYBL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@H](NC1CCCCCC1)C2	2036667602	SQIHOMIUEYVMHO-BHYGNILZSA-N	249.442	4.658	0	10	BJAE	
CC(C)(CC[C@]1(N)CC[C@H]2CCCC[C@@H]21)C1CC1	2037167355	UNTQBTQTXOLVKC-UKPHBRMFSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(CC2CCC=CCC2)CCCCC12CCC2	2037207549	ZRDCZDBMQVEUHF-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CC2CC3(CCC3)C2)C1	2037980091	UGCYQRJJIPGXMF-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CCCC1CCC1)C2	2038941676	VXFURYQPALHZAW-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CC1(C)C)C1(C)CC=CC1	2042025984	ZZRBIJJITLUPBV-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)C(C1CC1)C1CC1	2045310657	DXXGERFIDNVIID-ZDUSSCGKSA-N	246.394	4.518	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)[C@H](c1ccccc1)C(C)C	2045673261	DWTPRLFMUKQUTJ-ZBFHGGJFSA-N	246.394	4.678	0	10	BJAE	
CC1CC(C[C@@]2(N)CCCCC23CCCCC3)C1	2047563742	RSKWKRJXCNNDFT-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CCC[C@@H](N[C@@H]2[C@H]3CCCC[C@H]32)CC1	2048388239	LHZSTJQDNKWWCR-DMRKSPOLSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H](C)C1)[C@@]1(C)C=CCC1	2049999530	DOZVFUGGZVCMMQ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CC[C@H](C)[C@H](C)C2)c1	2050456211	OFDZLHZMHKXKFN-RRFJBIMHSA-N	244.378	4.640	0	10	BJAE	
CCC[C@H](C)CC[C@H](NCC)c1ccccc1C	2050457971	IUHOTLQEGVVGPW-YOEHRIQHSA-N	247.426	4.862	0	10	BJAE	
Cc1cccc([C@H](N)CCCC2=CCCCC2)c1	2050458036	JMNKIUXSGWQZNL-QGZVFWFLSA-N	243.394	4.666	0	10	BJAE	
CC1(C)C[C@H]1CCCCC(=O)c1cccc(F)c1	2050495417	TZSNYPWKJPPIDH-CYBMUJFWSA-N	248.341	4.615	0	10	BJAE	
CCCC(CCC)[C@@H]1CCN[C@H]1c1ccccc1	2052166453	BGIIOVREJVZLPF-IRXDYDNUSA-N	245.410	4.554	0	10	BJAE	
CC(C)NC[C@]1(C2CCC2)CCCCC12CCC2	2053362186	VYXKCRPEECEZSS-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@](O)(C=C1CCCCC1)C2	2056861698	BFHJCZLWCVTBJQ-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)CC1(C)CCCC1	2056875978	MCZMYGJIFJZGJV-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@H]1CC[C@@H](C)C1	2056876191	OBWPIXRUAVANAN-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(CC(=O)C[C@@H]2CCC[C@H]3C[C@@H]23)CC1	2057357558	LSROMUVOFCWPRY-ASIQFLCUSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H]1C[C@H]2CC[C@H]1C2	2059250152	NXEOFULVQATUPL-DZVWSGNESA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2059257811	AMIXFCWDWBUWBI-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)C2(C)CCCCCC2)CC1	2061088068	KHSDLHKGUBGTSS-ZBFHGGJFSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)[C@H](C)C2CCCC2)CC1	2061140579	ONMWSSZQCRVRIG-CPUCHLNUSA-N	249.442	4.523	0	10	BJAE	
CCCCc1ccc([C@@H](O)C(C)(CC)CC)cc1	2061869960	JHTZKNXHVORECE-MRXNPFEDSA-N	248.410	4.889	0	10	BJAE	
CC1([C@H](N)CC2C[C@H]3CCC[C@@H]3C2)CCCCC1	2063489724	GNSLOIBKMIFPFU-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]1C[C@@H](CC=C(C)C)CC2(CCC2)C1	2063636733	MCVSVZYMVFJJHM-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C[C@@H]2C[C@@H](N)CC3(CCC3)C2)CC1	2063641452	NOEASVUZWTULBF-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(=O)C[C@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063717150	NXVZFSAESWFFMO-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CC[C@]1(C2CC3(C2)CC(C)(C)C3)CCCCCN1	2063800310	VHOIZAFFGYHRRY-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NCC12CCC(CC1)CC2)C1CCCCC1	2065263509	ZXQARZQKUMEXGA-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](Nc1cccc(C2CC2)c1)C1(C)CCCC1	2067519487	GMWGMCJSKZPYAQ-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H](N)[C@@H]2CCC2(C)C)CC1	2068239557	NSOKTSAOSFJATO-QLFBSQMISA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2C[C@H]3CC[C@@H]3C2)CC1	2068709266	ZHIVYTKQJHSSNE-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)c1ccccc1CC	2068823407	QVOWPQLVWWRBPD-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)C1(CC2CCC2)CC1	2069564110	NJMDYWVBOMHACN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@]2(N)C[C@@H]3CCC[C@@H]32)CC1	2072802265	WJPTWEOUUHNFKR-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CC[C@H](C)CC2)C=CCC1	2072803215	GBYDIWJUZJACNA-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@@H](CC)N(C)Cc1ccc(C)cc1	2073410568	HORSZLQWJHGYQQ-QGZVFWFLSA-N	247.426	4.786	0	10	BJAE	
CCCC1(C[C@]2(N)C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1	2074624343	QKOCUTXOAXHEGQ-QRTARXTBSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)[C@H](C)c1ccccc1	2074779243	BBVDMHOPMOYGHH-WBVHZDCISA-N	247.426	4.894	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)N([C@H](C)c2ccccc2)C1	2074792764	LQUOSMDSENVMND-BFYDXBDKSA-N	245.410	4.504	0	10	BJAE	
C1CCCCN([C@@H]2CCC23CCCCC3)CCC1	2075013789	XMWOQPXVVKLENI-MRXNPFEDSA-N	249.442	4.756	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C)CC2=CCCC2)CC1	2075191391	PAQPGZUAJNGMCU-JCNLHEQBSA-N	249.442	4.635	0	10	BJAE	
CCN(C[C@H]1CC[C@H](C)CC1)c1ccc(C)cc1	2075294736	VTCGYGAVGYJLPN-KOMQPUFPSA-N	245.410	4.648	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@@H]1C[C@@H]1C(C)C	2079640382	CVZMMOHTAPEXOS-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@H]1C[C@@H]1C(C)C	2079640483	CVZMMOHTAPEXOS-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1CC1)C[C@@H]1C[C@@H]1C1CCCCCC1	2079644636	MLCJHJUUDFLEFM-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
Cc1cn(C[C@H]2C[C@H]2C2CCCCC2)c(C)c1C	2079818272	IJGBBZNUXAKJEI-SJORKVTESA-N	245.410	4.630	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@@H]2C[C@@H]2C2CCCCC2)C1	2079843605	RMZMALPGMMTKMQ-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@@H]3CCCC[C@@H]32)CC1	2081136905	MADKCHWFPSESTP-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
CC(=C1CCC2(CCCC2)C1)[C@H]1CC[C@H](N)CC1	2082141567	YELRTNMOFPIHCB-KOMQPUFPSA-N	247.426	4.565	0	10	BJAE	
CC1=C[C@H](N)[C@@H](CC2CC(C)(C)CC(C)(C)C2)C1	2082988962	XXBITKVUYBJREC-CABCVRRESA-N	249.442	4.523	0	10	BJAE	
CCCc1ccccc1-c1cc(C)c(N)cc1C	2083395364	NHAIFDUNPZGLIA-UHFFFAOYSA-N	239.362	4.505	0	10	BJAE	
CC(C)CCC[C@@H](N)CCCCCCC1CC1	2213572343	UZPJLWLJLFGLNM-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)CCCCCCC1CC1	2213579704	VJVMXAKDHLYEPV-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC[C@](N)(CC[C@@H]1C[C@H]1C)CC1CCCCC1	2215245312	DSCRRUITJFKZNT-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CC1(C)CC(C)(C)C1	2215385443	IVSNOKFSLGJSBM-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2(C)CC(C)(C)C2)C1	2215440216	PNEQCEPXKCZZGV-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)C=CCCC1	2216878009	ABZAHJSQMDBEPW-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCCC[C@@]1(CN[C@H](C)CC)CC=CCC1	2217127915	IYLOJCYOFNGAJQ-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CC1CCCCC1)C(C)C	2217145940	UVPAAJLKFATGKG-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](CN[C@H](C)CC)C(C)(C)C	2217159948	UBXOEJDCAGHMKF-UKRRQHHQSA-N	241.463	4.863	0	10	BJAE	
C1=CCC2(CCC2)N(CCCCCCC2CC2)C1	2218721009	NVEVDGRZQQQRKG-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1CCC[C@@H]2C[C@H]21	2218726975	SPRSPNFRMIAYFJ-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCCCC1CC1)c1cccc(C2CC2)c1	2220031188	SNBDACMNXUKDKE-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CCCCC1CC1	2220042780	WYXCPOFOSPAHSS-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CC[C@@H]1CC2CCC1CC2)C1CCCCC1	2220290988	OBKUPVFPIPEYKY-MMADZMRASA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cc(NCC2(C)CCCCC2)ccn1	2220884567	CVFOVSYNCANOHY-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)c1cc(C)c(C)cc1C	2220983078	AWRARYCSSYIZFI-CABCVRRESA-N	244.378	4.621	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@H]2[C@H]3CCCCC[C@H]32)C1	2221075673	IVEJSAOTOYUONX-AGGWBTHJSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@]1(CNC2CCC2)CC=CCC1	2223546451	BPAHSBVPGKYIEV-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC2CCC2)CC=CCC1	2223597585	SGPVGJBQYFLKCR-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1cccc2ccoc12	2224195551	FODGTPKCCBQNNN-SWLSCSKDSA-N	246.350	4.539	0	10	BJAE	
CCC(C)(C)C(=O)CC[C@@H]1CCC[C@H](C)C1	2242759660	HNTJQKYGBGYCIQ-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(O)C(C)C	2244851002	IWXWDODCTNDDDW-HUUCEWRRSA-N	228.420	4.636	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@H]1CCCCC12CC2	2246613508	BEHFWQCYTGPWFM-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@@H](N)CC[C@@H]2CCC[C@H](C)C2)CCC1	2246660172	NXUBABCGSUUBMC-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC(=O)C[C@@H](CC[C@H]2CCC[C@@H](C)C2)C1	2246665522	RTXCKIWTCUKXAP-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCCCCN(C)CC[C@@H]1CCC[C@@H](C)C1	2246671432	XRCJXTGPLQXQRX-CVEARBPZSA-N	239.447	4.715	0	10	BJAE	
CC1CCC(C(=O)CCCC[C@H]2C[C@H]2C)CC1	2247173412	RZCZWZMZQCALJP-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](O)CC[C@@H]1CCCC12CC2	2247666352	SFVNNQBOAMMDGD-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)C2(C)CCC2)C1	2251579195	KHXURKKIBAZKMM-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](O)CC1CC(CC(C)(C)C)C1	2251585543	ZMFHXEYCRKRMSD-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)C2(CC3CC3)CC2)C1	2253994340	DNLGIFNJAVGWRC-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccc(OC[C@@H]2CCC2(C)C)cc1	2255014020	AWMXWNGEEVUXBA-AWEZNQCLSA-N	246.394	4.799	0	10	BJAE	
CC(C)CNC[C@]1(CC2=CCCCC2)CC1(C)C	2255134739	WYDCBKMKQSLRAN-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC1(CNCC[C@@H]2CCCC23CC3)CCCCC1	2255244600	ZNRBMLRCXDVMJR-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@]23CCCC[C@@H]2CC3)CC1	2260586195	GCVCIPZOGHQMTG-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C[C@]12CCC[C@@H]1CC2)C1CCCC1	2260602645	KUYXOWRMPWSCTD-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)C[C@H]2CC23CC3)C1	2261247252	AWOAFWHUVWMBRM-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)C[C@@]12CCC[C@@H]1CC2	2298721921	DJNKNRJQVZQHDQ-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H](C)CC1CCC1	2298935228	GTJSLJJRLKDZCK-ZDUSSCGKSA-N	227.351	4.701	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@](C)(CC)C(F)F	2299825381	LSMUCOUGCTWYSS-TZMCWYRMSA-N	249.389	4.616	0	10	BJAE	
C[C@H](Nc1cc(C2CC2)ccc1Cl)C1CCC1	2300672163	RPZCBUSNBAWAHC-JTQLQIEISA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H]1CCCC[C@@H]1CC	2300683316	IEPUFEPDEJPCNK-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CC(=CCNC(C)(C)C(C)C)CCCC(C)C	2300867680	OYXWEKAYQXZEDH-UHFFFAOYSA-N	239.447	4.783	0	10	BJAE	
CCCc1ccccc1C(=O)CC=C(C)CC	2300882781	XROVTPNALPGOGF-UHFFFAOYSA-N	230.351	4.568	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@H](C)[C@@H](C)C(C)C)CC1	2301834988	BXNHHOUULSDSRK-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)[C@@H]1CCCCC1(C)C	2301985040	XFFRBWRWCKZZBC-RRFJBIMHSA-N	239.447	4.568	0	10	BJAE	
Nc1ccccc1C=CCCC1=CCCCC1	2302358478	HCMLAARBZVFFSK-UHFFFAOYSA-N	227.351	4.563	0	10	BJAE	
CC[C@@]1(C[C@@H]2CCC(C)(C)C2)CCCCCN1	2302683020	OSYFKZQENLQTQS-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)CC2(C)CCCC2)C1	2302751980	YZEABUAVASFVJJ-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)CC[C@@H]2CC2(C)C)C1	2302879648	CGBAQSRZRNDMOZ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@H]1CCC(C)=C(C)C1	2303458719	JZSLSHSRADHXIZ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC1([C@@H](O)CC[C@H]2CCC(C)(C)C2)CCC1	2304360048	PONIMUVZSWTKPU-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)NC[C@H](C)CCC[C@H]1CCC(C)(C)C1	2304447827	RUEQYAXLAXLGEC-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](c2nc([C@@H]3C[C@@H]3C)cs2)C1	2307698006	YBNGUMPUKZGKLH-OBPIAQAESA-N	249.423	4.806	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H](C)C1(C)CCCC1	2307747701	SAFHFYKBXGQZNK-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	2307764126	UDMUNWDUEQBMFT-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)C1(CC)CCCC1	2307905830	ZTOZUYJJDKPJIQ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
N[C@H]1[C@@H]2CCCCCCC[C@@H]2C12CCCCCC2	2311921214	ACUNQMFVJXNWNT-PMPSAXMXSA-N	249.442	4.645	0	10	BJAE	
CC1(CCNC(CC2CC2)CC2CC2)CCCC1	2313613732	YLZIUKNLZVIHME-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)c1cc(C)ccc1C	2316235615	MDWDBFXTDWRSNM-QGZVFWFLSA-N	248.410	4.727	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CCCC2(CC2)C1	2316503568	QGPPJFKHTDGKBP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCCC=C(C)CC)c1ccccc1	2316563372	NJGARISAYZYULM-KRWDZBQOSA-N	245.410	4.864	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316878385	NJSHBOKAVNPPSP-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2318937867	DPPUFTRFMZUFNT-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)C[C@H]2CC23CCCCC3)C1	2318995525	AIMXDKBEHCELDR-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC(C)(C)C1)C1CC=CC1	2319031744	ULGWZXDPEVJCQK-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CNCCC1=CCCCC1	2320189332	MAXFDUUGRMIRNM-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(N)C=CCC(C)(C)C2)CC1	2320335622	CONZMFISSUYLAM-RDJZCZTQSA-N	247.426	4.587	0	10	BJAE	
CCCN(C[C@@H]1CCC(C)=C(C)C1)C1CCCC1	2320388091	MXENRNVYSMPCMI-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC1=C(C)C[C@@](CNCC(C)C)(C2CCC2)CC1	2320388102	MYPYXZXYUYPTEL-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCC1([C@@H](C[C@H]2CCC(C)=C(C)C2)NC)CCC1	2320394363	OVOBSRAJPBFSJL-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
COc1ccc(CCCCC[C@@H]2C=CCC2)cc1	2320888287	NMAYHQYPOUNCSM-OAHLLOKOSA-N	244.378	4.764	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)C[C@H]3CC[C@H](C3)C2)C1	2321603987	XOAWTMXPSHUVRZ-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](O)(c1cc(C)ccc1C(C)C)C1CCC1	2327700439	AUXYNULHBIGYDU-KRWDZBQOSA-N	246.394	4.516	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)C[C@@H](C)c2ccccc21	2328187746	HVSBGGIEBVFHCE-JKIFEVAISA-N	245.410	4.564	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1cccc(C2CC2)c1	2328209195	HVGBHPBHXJGCHT-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CCCCCCN[C@H](C)c1cc2ccccc2o1	21012534	MCYVPGKYPMJGCQ-CYBMUJFWSA-N	245.366	4.664	0	10	BJAE	
CCC[C@@H](C)Nc1ccccc1-c1ccccc1	21514963	VFHMXHOOILLFSM-CQSZACIVSA-N	239.362	4.954	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1ccc([C@@H](C)CC)cc1	35469061	AJHIWQZGWSPVGS-ZQIUZPCESA-N	247.426	4.897	0	10	BJAE	
Fc1ccccc1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	37211253	QMOVQJSKHCYCHF-MGPQQGTHSA-N	247.357	4.597	0	10	BJAE	
CCCCC[C@H]1C[C@@H](c2ccccc2)CCC1=O	44469016	CDXYAOODBUXPKX-HOTGVXAUSA-N	244.378	4.720	0	10	BJAE	
CCCC(CCC)Nc1ccc(OC(C)C)cc1	57341821	WMEFVAHAPKAVGG-UHFFFAOYSA-N	249.398	4.855	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccc(C)cc1F	70977722	JUFZEBYTCVEXCK-OCCSQVGLSA-N	235.346	4.515	0	10	BJAE	
CCc1cccc(N[C@H]2CCCC(C)(C)C2)c1	79971193	YJMAVLHIPWIUIR-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)CCC(C)(C)C	82816886	RTDRKYZJKAWCBN-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc([C@H](N)C2CCCCCCC2)c(C)c1	86578816	AYVRVPZHYYTPOW-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CCC[C@@H]1CCC[C@H](Nc2cnccc2C)CC1	86946897	BVIBZWFLHBMZRC-CABCVRRESA-N	246.398	4.551	0	10	BJAE	
CCC[C@H](C)CC1(CN)CCCCCCC1	87690087	MLURNVKESROXRA-AWEZNQCLSA-N	225.420	4.502	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)C1CCC(CC)CC1	87937553	XUTJPFXPSYPULT-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@H](C[C@@H](C)CC)c1ccccc1C	93106736	SZSRKUKAMXFRAA-GOEBONIOSA-N	247.426	4.514	0	10	BJAE	
CC(C)Cc1ccc([C@@H](C)NCC(C)(C)C)cc1	109788211	SZIMGFKYWMBGBG-CQSZACIVSA-N	247.426	4.582	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1C[C@H]2CC[C@@H]1C2	109790837	MHQGLVNGDKPEED-WOSRLPQWSA-N	243.394	4.585	0	10	BJAE	
CCCCCC[C@@H](NCCC)c1ccoc1C	132846147	ILPWVPLYFYNLEE-OAHLLOKOSA-N	237.387	4.599	0	10	BJAE	
Cc1cc(-c2ccc(C3CCC3)cc2)ccc1N	133390318	PTSBUPZMISAVLY-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CN[C@@H](c1cccc(C2CCC2)c1)[C@@H](C)C(C)C	133572751	MXNBNFLWYAKUJZ-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)CC[C@H]1CCC[C@@H]1CNC(C)(C)C	155442175	MSHTYHRCGMNECO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)c1coc(C)c1	161020316	XBVWUZROZBHVTM-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C1(C)CCCC1	161083963	LTAVBSNSUPZJRS-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1cc2ccccc2s1	163384148	BFYRKHGKJMVDTB-LBPRGKRZSA-N	247.407	4.727	0	10	BJAE	
Cc1cc(C)cc(C(=O)C2C[C@@H](C)C[C@H](C)C2)c1	165982138	PBIJFYMKHLAGDP-KBPBESRZSA-N	244.378	4.558	0	10	BJAE	
CCCN[C@H]([C@H]1CCC[C@H](C)C1)C(C)(C)CC	169083814	KVGOLQQKNJCXSE-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc([C@H](O)C2=CCCCCC2)cc1	203412234	YNAJEZVMTFZAHV-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CCCC(CCC)[C@H](O)c1ccc(C)c(C)c1	212011797	NYEYZZPQGLOZOR-INIZCTEOSA-N	234.383	4.553	0	10	BJAE	
CC[C@H]1CC[C@@H](N[C@H](c2ccccc2)C(C)C)C1	227191112	HELZTMIRWQTEAE-UAGQMJEPSA-N	245.410	4.552	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H]1CC[C@@H](C)C1	227414615	KHQULEJWVHCJOO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1cccc2ccsc12	228962945	ODKFBCSDKQFOKB-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CCC(CC)C[C@@H](C[C@@H](C)CC(C)(C)C)NC	229164923	WPTNHDGEFYYNOI-UKRRQHHQSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(Cl)c(C)c1	229184132	AVSGOIWOXIMYTN-AWEZNQCLSA-N	240.774	4.652	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1ccccc1C(C)(C)C	229677109	MZGAWFHXCVPQIZ-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCC[C@@H](CC(C)C)C1	230785885	MQYYKRUPXDWQPS-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC1CCC([C@H]2C[C@H](C)Nc3ccccc32)CC1	232821635	XYBFJCFOOZDMOI-NQKKVCCDSA-N	243.394	4.801	0	10	BJAE	
Fc1cccc2c(CCC3CCCCC3)c[nH]c12	236162289	SEIHNTIPVWYCPV-UHFFFAOYSA-N	245.341	4.820	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@@H](C)[C@H](C)C1	251296431	GZGQNWHBKSBZIT-WCVJEAGWSA-N	240.431	4.780	0	10	BJAE	
CSc1ccccc1N[C@@H]1CC[C@H](C)[C@H](C)C1	251530145	AHFMYRRJVRROME-YNEHKIRRSA-N	249.423	4.645	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	300464473	JTBTZTROUXFQCA-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](O)CCCC(C)(C)C	302264952	FZWAAPUHFPZTEZ-HOTGVXAUSA-N	248.410	4.758	0	10	BJAE	
Cc1cccc2cc([C@@H](N)CCC(C)(C)C)oc12	302270645	HERGKIXNZHXMGH-ZDUSSCGKSA-N	245.366	4.567	0	10	BJAE	
CC(C)(C)c1ccc(O[C@@H]2C[C@H]3CC[C@H]2C3)cc1	302328721	HTJZDTKZWWWGMK-HEHGZKQESA-N	244.378	4.552	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCCC)c1ccccc1C	302435195	SRMFTBAKECXBMW-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(CCC)cc1	304198264	FYLBPPZXDRCIJM-CYBMUJFWSA-N	232.367	4.648	0	10	BJAE	
CCCc1cccc(C(=O)[C@H](CC)CC(C)C)c1	308057755	RYMWYKKATBUYHI-OAHLLOKOSA-N	246.394	4.894	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1[nH]c(C)c(C)c1C	308114019	RXDMVIWUXMOQJF-AWEZNQCLSA-N	249.398	4.585	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@H](C)CC(C)C)C1	309985536	MOYHGAKOKHEBGW-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)C)C1(CC)CC1	310262351	GOKPKFPIYVUFIY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)(CC)C[C@H](C)C1CCCCC1	310392878	GQWBYVQOGVFJJO-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc2c(ccn2C[C@H]2CCC[C@H](C)C2)c1	310786814	SZAVYPLRYKTQDC-ZFWWWQNUSA-N	241.378	4.776	0	10	BJAE	
CCN[C@@H](c1cc(C)ccc1C)[C@@H](C)CC(C)C	310962781	DYMIITSSEYOUHA-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CCC[C@](O)(CCCC(C)(C)C)C1CCCC1	313415501	AGWAIQCBEYQHDO-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCNCC1(CCCC(C)C)CCC(C)CC1	317268072	IGMSUYUIMPQLFA-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CC[C@](CNC(C)C)([C@H]2C=CCCC2)C1	317930072	NDDQAXFJAUTPLD-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(CC=C(C)C)CCCC[C@@H]1C	318356945	XKHATGPSBDONOY-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC12CCCC2)C1CCCCC1	328106462	MUCKPVVWRUIPQO-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc(C(=O)CC2CCC(C)(C)CC2)c1	380966970	VEYBPJXTGRIHDE-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CCN[C@H](CC1CCC(C)CC1)C[C@H](C)CC	383962348	XNFPKXKWLGCVSQ-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1CCCCC1(C)C	384110602	DIQWVCFDUYVYOL-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(C)[C@H](N)c1ccc2ccccc2c1C	384671833	DEECCDJLQJUAKI-MRXNPFEDSA-N	241.378	4.584	0	10	BJAE	
Cc1ccc(C(=O)CCC2=CCCCC2)cc1F	384851977	LURCMOPSRXLZMK-UHFFFAOYSA-N	246.325	4.597	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(CCC2=CCCCC2)C1	384912812	DSBDZEULECOLHM-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC2(C3CC3)CCC2)CC1	391425916	IQVLDVYMKBVVPJ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H](C)c1ccccc1)C(C)(C)C	395024823	OIJDGCGJMZUKJE-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
CCCCC[C@@H](NCC)c1ccccc1CCC	395042135	JTCOPBLTZPGIHU-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CSc1c(C)cc2ccsc2c1C(F)F	396408105	OXPHUCHILCVMEL-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)C[C@@H](C)CC(C)C	401310635	XCDAWTVKXMLNAL-XUWVNRHRSA-N	240.431	4.636	0	10	BJAE	
Cc1[nH]c2c(Oc3ccccc3)cccc2c1C	404724400	XDOBDVPAKHNKNH-UHFFFAOYSA-N	237.302	4.577	0	10	BJAE	
CCCCCC[C@@H](CCCC1CC1)NCC	405828558	MVABEQHAOKMYJZ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
FC(F)c1cc(Cl)c(Cl)c(C(F)F)c1	575675078	CIMBBSQZOHOBQH-UHFFFAOYSA-N	247.018	4.869	0	10	BJAE	
CCC(C)(C)C1CCC(=CBr)CC1	606291377	DTMSMWQIRBCLJD-UHFFFAOYSA-N	245.204	4.892	0	10	BJAE	
CCCCC[C@](C)(O)CC(C)(C)c1ccccc1	686650388	PXVYXRQXFVSAIF-KRWDZBQOSA-N	248.410	4.686	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC(C)(C)c1ccccc1	686714362	SARROLPIHATUPS-OAHLLOKOSA-N	247.426	4.508	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC[C@@H]2C)cc1F	691080789	OMRXJKLEPYKOQY-SWLSCSKDSA-N	235.346	4.515	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C1CCC2(CC1)CC2	695625773	JKSQKIAZWWLKEG-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc(CC(C)C)cc1	696611526	UUBKDPZCBFPNNJ-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CCCCC[C@H](CNC(C)C)C1CCCCC1	696857684	GHFCOUJEZDSDFK-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1ccc(CC(C)C)cc1	697606769	UBYJUKHKTRMRBU-QGZVFWFLSA-N	246.394	4.665	0	10	BJAE	
CCCC(CCC)[C@@H](CCC=C(C)C)NCC	697758016	DQJZAGJPEMODON-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](O)C(C)(C)CC	701069444	RNJXNSWVTXXRAC-NUEKZKHPSA-N	248.410	4.613	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C(C)(CC)CC	701252269	HLLOWNMFDRZVMU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)cc([C@](C)(N)C[C@@H](C)CC(C)C)c1	704505393	DHHPIRAHXKEHSO-DOTOQJQBSA-N	247.426	4.550	0	10	BJAE	
C[C@@](N)(CCC1CCCCC1)CC1CCCC1	704900807	BGBYEPAROULGAN-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@]1(N)CCCCC12CCCC2	707758280	VWBIPOUERDNREO-INIZCTEOSA-N	237.431	4.789	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@@]12CCCC[C@@H]1C2	709143285	AFZRHZDPALYBGC-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](O)(C[C@H](C)C(C)(C)C)c1ccccc1	710799763	NFFNDMMNPYDMDK-YOEHRIQHSA-N	248.410	4.747	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H]1C[C@H]2CC[C@H](C2)C1	710867486	YVCKRRXHPQBYKB-FVCICTRLSA-N	241.378	4.555	0	10	BJAE	
CC[C@H](CC(=O)c1ccccc1C)C(C)(C)C	711177520	LEZZIJYHYWJGGC-CYBMUJFWSA-N	232.367	4.640	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@@H]2CCCC[C@H]21)C1CCCC1	712521945	KGYFQGKGZKVPDO-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CN[C@H](C)CC1CCCC1)CC(C)(C)C	712596827	KKUWRGNMIGIEHE-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)C(C)(CC)CC	713734295	KLMNGEFVOSTEHU-NKSUMMKUSA-N	237.431	4.703	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](NC2CCC=CCC2)CC1	718053528	QHKJKWGEKHDTFW-DOTOQJQBSA-N	249.442	4.680	0	10	BJAE	
CC(C)=C(C)CCC1(CNC(C)(C)C)CCC1	718782753	ZYZLACCXJJHPHP-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCCNC[C@]1([C@H](C)CC)CCC=CCCC1	719021511	WWYJBZRFYFYPFY-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(CC)[C@H](N)CCCCCC(C)C	721722572	YIRCMKVXXWGJJX-CQSZACIVSA-N	227.436	4.747	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@@H]1CC)CC(C)(C)CC	723137629	HHAKEBNXACQWBF-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C/C(=C/Cl)CSC1C[C@H](C)C[C@@H](C)C1	1473021823	PXMOLAMYBXOIHS-RSOYDTTOSA-N	232.820	4.687	0	10	BJAE	
CC(C)=CCCc1cccc(C)c1Cl	1902925129	BNCWFWJOMPIQDH-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CCC[C@@H](CC)C[C@](O)(CC)c1cccs1	1905380033	DAIKLVBHPPTUSE-TZMCWYRMSA-N	240.412	4.562	0	10	BJAE	
CCCCCC(=O)C[C@@H]1C[C@H]1C1CCCCC1	1910809536	NDTFWEHPXNJTPN-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C=C(CNC1CC1)C(C)C	1911828527	IVFXUEUFNGTQHY-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(CC2(N)CC3(CCCC3)C2)CC1	1912727615	MCZRECYLBWIHKG-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)C[C@H]1CCCCCCCC[C@H]1N	1913404745	PJKXZHDZANNVCX-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCC2(CCCCC2)C1	1915865855	QLSWLMBEZIDATK-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H]2CCC[C@H](C)C2)C1	1921275928	PHSJCMRNSBZEIX-FGZQJIAISA-N	236.399	4.598	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2CCCC23CCC3)CC1	1921611970	WMIIUJQAKHFUJA-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C(=O)CCCC(C)(C)C)C1CCCCC1	1924102384	ZIMUSAPEIBEVGZ-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)C[C@H]1C=CCCCC1	1925892324	SCWJACDTWZCBBS-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](CC)CC1CC1	1939406741	MVDPAPCJNPPEKA-GJZGRUSLSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc(N[C@@H](C)C(C(C)C)C(C)C)cc1	1940249365	SULSIQLLRYNTKN-AWEZNQCLSA-N	233.399	4.724	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@@H]2CC2(C)C)C(=O)C1	1940874648	VAPRXVZUPMPBDT-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1(CCC[C@](C)(O)CC2CCCCC2)CC1	1940880910	KHHULOUPQZURJL-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@H](C)CC(C)C)C(C)C	1941263930	GVZNHIFCQSGDLH-CABCVRRESA-N	240.431	4.946	0	10	BJAE	
CCC[C@H](C(=O)C1C[C@H](C)C[C@@H](C)C1)C(C)C	1941265591	XAKUPXPUSSIGJF-NFAWXSAZSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)[C@H](CCCCCC1CC1)NC	1941588065	YJUWCABQPVASAH-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)NCC1(C2CCCCC2)CC1	1942578255	UTEGBTIREFMKOE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@H]1CCC(C)(C)C1	1945599396	PKSZJQYXTBSONG-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1C[C@H]2CCCC[C@@H]2C1=O	1946324993	KSTRQJUAAYOZIY-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)CCC(C)(C)C1CC1	1948321628	NELJDAWGDNLPAH-CZUORRHYSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1CC2(CC2)C1	1948687462	ZFGXNSOFUFNLFP-AWEZNQCLSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C[C@](C)(O)[C@H]1CCC2(CCCC2)C1	1949432098	IBCXFGZNCQXUCH-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CC[C@@H](CC1CCCCC1)NC	1949917868	QGKCWEJWBFARNZ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCCC(F)(F)CC1	1950012812	UNGHKMOALABZAJ-LBPRGKRZSA-N	246.341	4.742	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H]1CCC2(CC2)C1	1950286043	FIGWUJYKMOIZIX-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC1(C(=O)CC2CCC(C)(C)CC2)CCC1	1951237477	ZCPRJDNTQXSBSF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(CCOc2ccc(C(C)(C)C)cc2)CC1	1968299328	SCRBZYHPCYSEBO-UHFFFAOYSA-N	232.367	4.553	0	10	BJAE	
CC(C)c1nc(C2CCC(C)(C)CC2)cs1	1968708002	TUHAACGGIWWVKZ-UHFFFAOYSA-N	237.412	4.950	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H](C)C1CC2(CCC2)C1	1968860316	XRBFUXZJAQLOAS-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1CCC[C@@H]1C	1990092261	XDGSAWYSAXCFSL-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@H](CC)CCCC	1992049835	RKVSNTTVRUJOMV-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CCC)NCCC	1995203590	LJUSUBCJQANBPM-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1ccc(C)s1	1995254557	TXWKCLRMRMYSPV-WCQYABFASA-N	240.412	4.696	0	10	BJAE	
CCC/C=C/CN[C@@H]1CCCC[C@H]1C(C)(C)C	1995868299	XLYHASAKYSJSAY-FSQQNCNXSA-N	237.431	4.537	0	10	BJAE	
CCC/C=C/CN[C@H]1CCCCC[C@H]1C(C)C	1995875450	SUJRRCXDPOHGLK-DAASWOGBSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@@H]1CC[C@@H](C)C1	1996259949	LIANBEOOFYGRLI-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1ccccc1C(C)C	1996612040	VVJSSTNLUACNJN-OAHLLOKOSA-N	234.383	4.670	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)C1CC(C)(C)C1	1998648920	GASJWWIXJNDTSD-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)C[C@H](C)CC(C)(C)C	1998741672	KBWJXMHVCCACJV-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)C[C@@H]1CCC=CCCC1	1999997206	WCXGBLKJSZYEIG-BZUAXINKSA-N	237.431	4.536	0	10	BJAE	
C[C@H]([C@@H](O)C[C@H]1CCC=CCCC1)C(C)(C)C	2000000303	AXCQTMBSJBUXDR-ILXRZTDVSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CCCCC2(C)C)C1	2000062705	OAZJQVJJEAAEBJ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCC(=O)CC[C@@H]1CCCC1(F)F	2000194726	HDPOZHAPTMQYDG-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CCN[C@@H](CC1CC(C)C1)C(CC)(CC)CC	2000375385	BNJCHEWYSCOCPG-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNCC(C)C)CC1=CCCC1	2000500685	XDRFVXIUSXJFMJ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](CCC1CC(CC)C1)C(C)(C)C	2002351250	NVVBBWQBNVLWIX-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@@](C)(O)CC2(C)CCC2)CC1	2002930879	ZKNCSOJLTHWNNM-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@](C)(O)[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2003015368	DIEQQVJFSZZAAF-HOSILWTGSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H]1CCCCCC[C@@H]1C[C@@H](C)C(C)(C)C	2003099619	MBNHOLQSLKDYHD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)C1(C)CCC(C)(C)CC1	2007698402	SQKBYAIVZGZDRN-MELADBBJSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](O)(C=C1CCCCC1)C1CCCC1	2007919133	CARRFEXHSRFSSO-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1cc2ccccc2s1	2009594001	SHHRNBLNWXVRLO-YWVDXFKGSA-N	246.375	4.681	0	10	BJAE	
CCCC(C)(C)[C@H](O)C1=CC[C@@H](C(C)C)CC1	2010713870	GAFRWJGWNNAGOF-UKRRQHHQSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](O)C[C@@H](C)C(C)(C)C)CC1	2010725876	LGWXTFVBXKDASS-NFAWXSAZSA-N	238.415	4.556	0	10	BJAE	
CCCC1(C[C@](C)(O)[C@H](C)CC(C)C)CCC1	2015632065	BGNBTCBXRQFTBY-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@@H](N)CC[C@H]2CC2(C)C)CCC1	2015640171	PFRAALPYBXEHMJ-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(N)CCC=C(C)C)C1	2016114531	IBMIIXMICXAFEP-OAGGEKHMSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@]1(C)C[C@H]1C	2016386354	JIJRMTAGRPBPDL-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@H]2CC[C@H]2C2CCC2)c1Cl	2017041908	FBTQSHMIJCUSOP-STQMWFEESA-N	249.785	4.639	0	10	BJAE	
CCC/C=C/CNC[C@H]1CC[C@H](CCC)CC1	2017663029	NNAGQWZDOQXQQJ-LKMCHIHVSA-N	237.431	4.539	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@@H](C)C(C)(C)C)CC1	2017721219	KBUYFQMVBARUQM-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
CCCNCC[C@H](C)C[C@H]1CC[C@H](CC)CC1	2017739122	QLKBZNDYVVXSMZ-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)CCC2CCCC2)CC1	2017776848	VJIITKWBFFZSAZ-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CC=C(CC)[C@@H](NC)[C@H]1CC[C@H](CCC)CC1	2020974696	SSRQEXCYEQZGHE-FVQBIDKESA-N	237.431	4.537	0	10	BJAE	
CCCCc1ccc(-c2ccsc2C=O)cc1	2021483419	BPIPINLKLMAQGR-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCC2(CC2)C1)c1cccs1	2021786910	CKIPCCSUHGYUFO-CHWSQXEVSA-N	249.423	4.512	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](O)C[C@H](CC)C(C)(C)C	2022459202	GCGZYBJUTCTLGJ-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CC(=O)C[C@H]1C[C@@H]1C1CCCCC1	2022554309	NGQQIBNVEJJUGB-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
FC(CNc1ccc2sccc2c1)=C1CCC1	2023242680	FXBSRIUULHXMIG-UHFFFAOYSA-N	247.338	4.721	0	10	BJAE	
CCC(CC)(CC=C1CCC1)CNC(C)(C)C	2023257864	ZKXSEMGMGKXQMQ-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CN[C@@H]1CC(C)(C)C[C@H]1CCCCCC(C)C	2023616864	OXNKOQJBEOEVIY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(C(C)(C)C)CCC2)C1=O	2024004651	QXGCFYJABPWGIL-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)CCCC2CC2)C1	2024092303	QAJBCYHVOMOZBS-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CCCC(C)(C)C1)NC	2024095001	ODXBDSAWBBRVQJ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(C)CCC[C@]2(C)O)C1	2024116157	GZSLCKNPMOOHTH-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CC=C(CC)c1cccc([C@H](CC)NCC)c1	2025223717	MWMWFSUTJHRDQY-INIZCTEOSA-N	231.383	4.561	0	10	BJAE	
CCCC1(C[C@H](O)CC2CC(CC)C2)CCC1	2025368867	UAWRBYGHXIGYCQ-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@H](C(C)C)C1	2025586540	BLEYVBQORWOAQE-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC[C@@H]1CC1(C)C	2026166928	NHIXYSAKJBMPDO-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@@H]2C[C@@H]3CC[C@@H]3C2)n1	2026532078	VTXOZUYHSSPGEL-NDBYEHHHSA-N	249.423	4.635	0	10	BJAE	
CC1(C)CC[C@@H](c2nc(CC3(C)CC3)cs2)C1	2026541620	WZUUHQBQQFDANT-LLVKDONJSA-N	249.423	4.779	0	10	BJAE	
CC1(C[C@@](C)(CNC2CC2)C2CC2)CCCCC1	2027306893	PXPJMZKQPHGCKC-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@H](C)C1CCC1	2027519030	YLPUQFZKPOFIOC-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1CC1(C)C)c1ccco1	2027854241	CMSNWMKDBZMNPV-KGLIPLIRSA-N	249.398	4.537	0	10	BJAE	
CCCc1ccccc1[C@@H](C[C@@H](C)CCC)NC	2027903676	OQHCIOGTPWRGMK-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CC(C)(C)C1CCC(=C2CCC[C@H](CN)C2)CC1	2028114293	FMEZSAPOYBNIEB-KNVGNIICSA-N	249.442	4.668	0	10	BJAE	
O[C@@H](CCCC1CCC1)c1cccc(C2CC2)c1	2028495380	LYUJHKBIAHJVOF-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CC[C@@H]2CCCC[C@H]2N1	2028633608	KHBORQKNYDZDJY-GVDBMIGSSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC1[C@H]2CCCC[C@H]12	2032822087	OLVANGWVSOVSRO-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H]2C[C@@H]3CCCC[C@H]3C2=O)CC1	2034259762	CGTKGDYMIPABAX-NEADZQPHSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(N[C@H]2C[C@@H]3CC[C@@H]3C2)CCCC1	2035886558	MOXGHHWZLKQDBI-SCAQPMJSSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2C[C@H]3CCCC[C@]3(C)C2)C1	2036664951	MVAUIEFSYOJPEG-JYYAWHABSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@@]23CCCC[C@@H]2CCC3)C1	2037682053	KAINFJVXPJKTBF-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]([C@@H]2CCC(C)(C)C2)c2ccccc2N1	2037696215	XXIIELYHPKSELO-NFAWXSAZSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CC(C(=O)CC2CC3(CCC3)C2)C[C@@H](C)C1	2037977616	YSDHOGGWGSDWLO-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC1CCC(C[C@H](N)CC2CC3(CCC3)C2)CC1	2037979948	RZUUKZRIBIPFGH-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCC1)[C@H]1CCCC(C)(C)CC1	2039382002	VUDAHYZXKALBGJ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCC(=C[C@@H]1C(C)=CCC[C@@H]1C)CNC(C)(C)C	2039433325	BEUUXXXAFIAFQQ-GOEBONIOSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@H]1CC=CCC1	2042019774	QZJWZLALFXAQAL-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCCN[C@H](C1CC(C)(C)C1)[C@]1(C)CC=CCC1	2042023791	FNVXRNTZBAIGMA-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC[C@@]1(C)CC=CCC1	2047718494	OXHFJUPSQHOGFB-RDJZCZTQSA-N	247.426	4.601	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@@H]1CCC12CCC2	2047942575	LIHYTEBGZKDCIW-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)C[C@H]1CCCC2(CC2)C1	2049846116	PXIXMYYOQUQFCO-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H](CC1CC1)CC1CCC2(CC1)CC2	2049859546	UEDNJFVHIMJKAM-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)C)c1ccccc1C	2050460049	DCPKJMVCRLQSRC-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
Cc1cccc([C@H](N)CCCCCCC2CC2)c1	2050463369	ICKYLCXSWUYFQC-QGZVFWFLSA-N	245.410	4.745	0	10	BJAE	
CC1CCC(CCC(=O)c2ccc(F)cc2)CC1	2050494404	IXWMYEJZGGXQPN-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCC[C@@H]3CC[C@@H]32)CC1	2052288709	PHTHJYFDJNNNRW-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](N)[C@@H]2[C@H]3CCCC[C@H]32)CCCCCCC1	2052477619	GWXWANQDYYFTFF-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1C(=O)C1(C)CCCCCCC1	2052500694	LRONPEANGUEKMQ-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
CCNC[C@]1(CCCC2CCC2)CCCC12CC2	2053367391	VRUSATDWJSQQCX-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)[C@H]2CCC[C@H](C)C2)CCC1	2055552560	QEJSDBZFJNUYFT-NKKGCODLSA-N	249.442	4.680	0	10	BJAE	
CC1=CCCC[C@H]1N[C@H]1CCCC12CCCCC2	2055671175	FLYNHZSPHDNOMM-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC1(C)CCC(C)(CNC[C@H]2C=CCCC2)CC1	2056535793	JKPJFVUVLIIAFL-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C2(C)CCC(C)CC2)c1	2056559014	NOXXGCNRHZJBAS-PDOTXMHQSA-N	246.394	4.553	0	10	BJAE	
CCC1CCC([C@@H](C=C2CCCCC2)NC)CC1	2056875720	JRJKFQXOEVMJGY-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@H]1CCC12CCC2	2059179061	YAQTZLNELWCEKB-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H]2CCCC[C@@H]2[C@@H]1NCC	2059254853	CCQHVMBWDHKODW-AXRXUNOHSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2059266269	DUDBEYXDWAAXTQ-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C2=CC[C@H](C)CC2)C1	2060913794	NHWNIOFJNWXPHN-YQQAZPJKSA-N	249.442	4.667	0	10	BJAE	
CCCC1([C@H](NCC)C2=CC[C@@H](CC)CC2)CC1	2061087513	GJNFTSZTARBFBL-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CCC[C@@H]2C(C)C)CC1	2061118516	HQJLKWDHHLEELR-DJIMGWMZSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)[C@H]2CC[C@H](C)CC2)CC1	2061140171	LFUDRGOUKPEPLP-ANQUJSFKSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)CC[C@@]12CCC[C@@H]1C2	2061603181	RQOGIGVOZYBUAA-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
O[C@@H]1CCCCCC[C@H]1CC1CC(=C2CCC2)C1	2061681596	AWJWWMHOBZCFEW-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CC1(CC(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063404424	CPDXNPHJPZMJPO-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H](CC23CCC(CC2)C3)C1	2065340850	ZUUBONYWZDOGHF-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)c1ccc(F)cc1	2070407307	FPTSCUXYLKTTJP-UONOGXRCSA-N	249.373	4.611	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C[C@@]12CCC[C@@H]1C2	2070969778	CPVCBTDWMFNYSZ-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1cc(C)ccc1F	2072416525	GQOWOQHRWYVDLS-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCC1CCC(C[C@H](N)C[C@]23CCC[C@H]2C3)CC1	2072797250	XSLUNTYXHWFGRU-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(NC[C@@]23CCCC[C@@H]2C3)cc1C	2074048645	YGJCVFCESZOCPY-WBVHZDCISA-N	243.394	4.550	0	10	BJAE	
CCCC1(C[C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1	2074626243	IWHIWBZKOKBPGF-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N(C)C1CCC2(CC1)CC2	2074896142	NLLRCBSFUQTZKO-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
CC(C)c1cccc([C@H]2CCCC(C)(C)C2=O)c1	2076451055	RBGJLZOBQDOVOG-OAHLLOKOSA-N	244.378	4.673	0	10	BJAE	
CCCN(C1CCCCCC1)[C@H]1C[C@H]2CC[C@H]1C2	2076558028	HHTVYUKPOJNYAX-ZOBUZTSGSA-N	249.442	4.610	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2077197420	ZKYZZJIYZNNSNZ-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1C[C@@H]1C1CCCCC1	2079530035	NFYAUNDRZVJUNU-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CCC[C@]1(C[C@@H]2C[C@H]2C2CCCCC2)CCCN1	2079646082	VLYZSWRXUBRWAC-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H]([C@@H]1CCCC(C)(C)C1)N(C)CC=C1CCC1	2081796752	WHRBULULOZQERY-GDBMZVCRSA-N	249.442	4.633	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc(F)cc1CC	2081944377	ILQLLDMUPNLVPA-DZGCQCFKSA-N	249.373	4.769	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)CCCC(C)(C)C)c1	2082943306	ZWUXISWMILHHOR-INIZCTEOSA-N	248.410	4.862	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)[C@@]2(C)C=CCC2)c1	2083541187	HWWRQJKOHKFPMZ-KRWDZBQOSA-N	242.362	4.523	0	10	BJAE	
CCC1CC(C[C@@H](NC)C2=CCCCCCC2)C1	2084993731	INFPPVUYUOSIQV-VMBOVVBDSA-N	249.442	4.681	0	10	BJAE	
F[C@H]1CC[C@H](CC/C=C/c2ccccc2)C1	2210661945	HMKWDYBPAXOZGN-GNKZJXQNSA-N	218.315	4.618	0	10	BJAE	
CCCC(CCC)C(=O)CCCCC1CC1	2211109240	VRFSIRXQOIHCQM-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)CCC1CC1	2213573290	GAVOZOSTFWMHTK-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CCCCC2CC2)C1	2214562886	LVPGJEORNYEVGL-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1CCC1(CN)CCCCCCC1	2215254233	SFOXVAZTIYGLIG-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CCC[C@H](C(C)(C)C)C1	2216253544	SMYJEPZSAIFTEK-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)NCCCCCCCC1CC1	2216884650	XLOLUMGLQSAWNN-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC1CCCC1)C(C)(C)C	2217125087	MMMLTPADMRUKDV-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218337172	FKGGCCOEWLEDSP-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218342449	BLTUEOUHQBNCPP-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CC(NCCCCCCC1CC1)(C1CC1)C1CC1	2218733653	XAMAHTUSVASJEV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(CNC(C)C)CC=CCC1	2220850941	JKEGVMCADSDFIX-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNC1(C2CCCCC2)CCC1	2220925453	QSUYWWLVACKWHB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(NC[C@@H]2CC=C(C)CC2)CC1	2221635148	HWKXMANPTRDGAR-KLAILNCOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CN[C@@H](C)C(=CCCCCCCC2CC2)C1	2223111031	RQRZFTDNSHPZFN-GJZGRUSLSA-N	249.442	4.681	0	10	BJAE	
CCC1CC([C@]2(CN[C@@H](C)CC)CC=CCC2)C1	2223603519	ZORCDGQUXARMEY-ZGRYLRDCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C(=O)c1cccc2ccoc12)C(C)C	2224201791	KCKHBVBRKRIOAE-CYBMUJFWSA-N	244.334	4.688	0	10	BJAE	
C1=C(Cc2ccccc2C2CC2)CCCC1	2243245774	RPODVLYHMGMFAB-UHFFFAOYSA-N	212.336	4.607	0	10	BJAE	
CCc1cc(Cl)ccc1-c1c[nH]ccc1=S	2243660239	BPNMAGFMOBDEGA-UHFFFAOYSA-N	249.766	4.627	0	10	BJAE	
CCCCC1CC(N)(CCCC[C@H]2C[C@@H]2C)C1	2247174951	YJDPPMWNENUSKM-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC1(N)CCCCCC1	2248805232	FSOFGIKAVVPIAO-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC[C@@H]2C)cc(C)c1C	2249488183	LOHAIHBJDXBSPK-MEDUHNTESA-N	231.383	4.602	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)[C@H]1CCCC(C)(C)C1	2250363521	ALJFVQKAANYFBR-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@]12CCC[C@H]1CC2	2251196284	DJNKNRJQVZQHDQ-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCC1=CCC[C@]1(O)CC[C@@H]1CCCCC12CC2	2253878341	NBVUMNLNRGZJFC-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H]1NCC[C@H]1CCCCC12CC2	2253885096	YXZFCLXORKORKH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CC[C@@H]3CCC[C@H]3N2)C1	2253968046	BRKSVTVRJYSDDA-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
N[C@]1(CC2=CCCCC2)CCC[C@H]2CCCC[C@@H]21	2255142167	AGEHHIBNLOHJPD-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](C[C@H]1CCCC12CC2)C1CCCCCC1	2255245395	LDDPKJRVRBNIJJ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@H]2CCCC23CC3)C[C@H]1C	2255326403	NDKQPQNQWFUHTA-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@H]1CCCCCC1(C)C)[C@@H]1CC12CCC2	2256447645	OECKCSNAKAVYCL-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](CC)CNc1ccccc1OC(C)C	2259466028	YFONLAOXDGOUNO-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
CC(C)(CN[C@@]12CCC[C@H]1CC2)C1CCCCC1	2260538574	TUWJBNWSPZHSOZ-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C(=O)C[C@]23CCCC[C@@H]2CC3)CC1	2260564404	GCVCIPZOGHQMTG-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](C)[C@](C)(O)c1cccc(C2CCCC2)c1	2260732051	UREIFQYEJVGESA-DYVFJYSZSA-N	246.394	4.598	0	10	BJAE	
CCCCC(=O)CCc1cccc(C(C)(C)C)c1	2261360005	DZICALZFWYASAZ-UHFFFAOYSA-N	246.394	4.676	0	10	BJAE	
CCC(CC)CCN(CC)C1CCCCCC1	2300688441	NEUILTBFVAGRBB-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1(CC2CCC2)CC1	2300707213	YUCYPBXBNRAAKR-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)NCC=C(C)CCCC(C)C	2300866029	VMEZDNUAPAPNIP-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303464906	JIBXLQHPKGDSFU-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303490763	SWQSECMNHBZBTG-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)[C@H]1C[C@@H]1CC	2307893765	JMBOFAXSZNKXGB-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc(C)cc1C	2307905747	ZBGUZMTYIFOJEF-HOCLYGCPSA-N	233.399	4.520	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@H]1C)[C@H]1C=CCCC1	2308867284	BLBZFBGSHSLHJI-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C1CCC1	2309183315	GYYHOQFJBZALRK-MWDXBVQZSA-N	249.442	4.514	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@@H]1C[C@H]1C(C)(C)C	2311511887	KFFDOBZWFPVBGJ-BZUAXINKSA-N	249.442	4.559	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC1(N)C[C@H]2CCCCC[C@@H]2C1	2311614835	IBDCIPRGNNXSDX-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)N1CCCC2(CCCCC2)C1	2313613064	SETRUPQEDCGCBS-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C1CCCC(CN[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316881320	OXAZPEXXMOFDOB-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@]1(CC2CCCCCC2)C=CCCC1	2316929844	ZKYULTLFYNPZJN-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C(=O)C1	2317009544	XOJHOBFRJKVFPE-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@]12CCCC[C@@H]1C2	2318573265	PODJUDPPEKCNGT-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1C[C@@H]2CCC[C@@H]21	2318586814	NCEANBMMZWDLSN-HRCADAONSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@H]1CC1(C)C	2318587900	DFXPBMAWLHZPEW-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C1=C(CCCN2CCC23CCCCC3)CCCC1	2318592403	IRIFIYOIWOVWNF-UHFFFAOYSA-N	247.426	4.676	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@@H]1CCC=CCCC1	2318936663	QWEMZNHUYAFXHX-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H]1CC[C@@H]1C(C)(C)C	2320215057	GWAZKEXGJXAHHM-KGLIPLIRSA-N	244.378	4.558	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(N)CCCC12CCC2	2320258931	PXLDSPUHHPAIID-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](CC2(CNCC(C)C)CC2)CC1	2320326599	GOEGVGAODWFASI-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)[C@@]2(C)CC=CCC2)CC1	2320346843	GZPUSIZWQXDFAZ-ULQDDVLXSA-N	247.426	4.587	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C[C@@H]2C[C@@H]2CC)cc1	2320375437	RYORUHGUZWRWOR-XEZPLFJOSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1C	2320387770	JVSHGAKTBKSHFX-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCCCC[C@@H]2CN)CC1	2320390612	LQGFFBJAKYNWMN-BRWVUGGUSA-N	249.442	4.668	0	10	BJAE	
CCCCCC1CC(N[C@H](CC2CC2)C2CC2)C1	2320517187	WNPGSVRCLDFRBA-BDVYOWHSSA-N	249.442	4.514	0	10	BJAE	
CCCC(O)(CCC)Cc1cccc(C(C)C)c1	2320634766	SVOILVHVARUYME-UHFFFAOYSA-N	248.410	4.684	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@H](N)c1cccc(C2CCC2)c1	2320656899	GTOWKDJBVTXTBK-XNJGSVPQSA-N	245.410	4.636	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cccc(C2CCC2)c1	2320657265	NKMSLASJHYRVLG-STQMWFEESA-N	244.378	4.819	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)Cc1cccc(C(C)C)c1	2320659742	HAXSCMIHEXRMIA-NVXWUHKLSA-N	247.426	4.506	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@]2(C)C=CCCC2)C1	2321627592	ZKGWYMBPVPSPRS-WMLDXEAASA-N	248.410	4.908	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)c1ccccc1C	2328283659	ZHQUITHEVXKPCU-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
Cc1cc(C)c(CN[C@@H](C)CCC(C)C)c(C)c1	21513904	SSMYPMOKBRXTOA-INIZCTEOSA-N	247.426	4.526	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccc2ccccc2c1	36951844	WLZKXZSDCZWGJM-CHWSQXEVSA-N	227.351	4.686	0	10	BJAE	
Cc1cccc([C@H](C)Nc2ccc(F)cc2C)c1	37214040	KUVSXVCDNMIGIV-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCC(CCC)N[C@@H](CC)c1cccs1	49529122	PCCQOOQWGFYJJE-ZDUSSCGKSA-N	239.428	4.758	0	10	BJAE	
Cc1ccc(COc2cccc3ccccc23)cc1	70236602	IZMCLNZLYGTQEF-UHFFFAOYSA-N	248.325	4.727	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCCC)C(C)C	71085262	UVTWTNNRNGKWHO-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@@H]1CCC[C@H](CC)C1	71157007	IWIMIGUGLOQQOC-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CNc1c(CC)cccc1CC	83360391	ATDYZSNOIASQGG-CYBMUJFWSA-N	233.399	4.660	0	10	BJAE	
CCC(CC)[C@H](C)NC1CCCCCCC1	84733542	FOAOYPMLSHMWNW-ZDUSSCGKSA-N	225.420	4.514	0	10	BJAE	
C[C@@H]1CC(Oc2cccc(Cl)c2)C[C@@H](C)C1	85150667	AIZJBQDJPQBEMX-QWRGUYRKSA-N	238.758	4.544	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C(CC)CC)CC1	87158868	BRGOFBQDMDLCKS-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](N)C1CCC(C(C)(C)C)CC1	87986981	GDTPVUUYFCODRM-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)n1c(=S)[nH]c2ccccc21	88299220	BPBRPJAOINLWJW-GHMZBOCLSA-N	248.395	4.696	0	10	BJAE	
CCCCCC[C@H](O)c1cccc(C2CC2)c1	94522890	YCQYKXNCLPRKNN-INIZCTEOSA-N	232.367	4.568	0	10	BJAE	
CCCc1ccc([C@H](C)N[C@@H](CC)C(C)C)cc1	103974727	IFVSUSXXKZIJMS-YOEHRIQHSA-N	247.426	4.724	0	10	BJAE	
CCSc1ccccc1NC1CCC(C)CC1	109910933	RSRWGVPUEXJTEZ-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cccc(F)c1C	109939539	WMWLZKOGYAYIBS-AAEUAGOBSA-N	237.362	4.761	0	10	BJAE	
Cc1ccc([C@H](O)CCCC(C)C)cc1Cl	124284606	WNHHMXPTHGKHBZ-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
CCCCCC[C@@H](NC)C1(CC)CCCC1	124818527	XGKUOJNNMRBGSY-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC1CCC(C(=O)CC(CC)CC)CC1	127909309	MOUCHKBHUUVLHQ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)c1ccsc1	129265812	BCMBQXIRTYLPNQ-CQSZACIVSA-N	239.428	4.615	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC(C)(C)C1	129353067	YUJHMEWQWRTXFL-CQSZACIVSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC[C@@H]1CNC(C)C	133607490	IBZZPRJEUVJOGS-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(C(=O)C2CCCCCCC2)c1	168014660	APOQTFIYUDDPNS-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCCC(C)(C)c1nc(-c2ccccc2)cs1	197890453	BRLZOXFNEJCCLP-UHFFFAOYSA-N	245.391	4.888	0	10	BJAE	
CC(C)[C@H](N[C@@H]1CCC[C@@H](C)C1)c1ccccc1	216407779	UIRDNLOTVDXAAY-OIISXLGYSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@@H](C)C[C@@H]1C	222333087	WSNYFTBECHLWTD-FXUDXRNXSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(F)c1NCCC1CCCCC1	224977783	GPERANMGWHTTDE-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)C1CCCC1	225970946	ISYGPEYXGBEPHH-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H](C)CC1)c1ccccc1	226501562	KDTPENPMQAEEIJ-PVAVHDDUSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCCC1(C)C	226780073	VVVAUIREFACQKK-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](N[C@@H](C)c2ccccc2)C1	230985058	KJJAYLHUHVCKSX-BHYGNILZSA-N	245.410	4.552	0	10	BJAE	
CCC[C@H](NCC1(C(C)C)CC1)c1ccccc1	233358364	UACQKXUHZGVMPZ-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CC/C=C/C[C@H](CCC)c1cccs1	238219038	IKALKZHVPBMDLF-FYJFLYSWSA-N	208.370	4.988	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)c1cc(C)ccc1C	302288278	KTAJHOSWERGQMI-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCN[C@H](CCC[C@@H](C)CC(C)C)C(C)(C)C	302364547	OBORKXHLGSENIU-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(N)CCCC(C)(C)CC1	302464869	YWKMZFAHUPOSCO-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(NCCC(C)(C)C)c(Cl)cc1F	304306612	CEAMBLKEWRIKJK-UHFFFAOYSA-N	243.753	4.636	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@@H](C)C(C)(C)C	304340644	VRLZUWNIQUUSKB-LLVKDONJSA-N	239.790	4.743	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cccc(C)c2F)CC1	306016660	SSAUJTJWLLAXJC-KBPBESRZSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H](NC)c1ccc(C2=CC[C@@H](C)CC2)cc1	306095660	MILGQZOQPDDHRV-CXAGYDPISA-N	243.394	4.561	0	10	BJAE	
Fc1cc(Cl)cc2sc(C(F)F)cc12	306697354	ZCZAANDBQGNZKC-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1ccc2cc(Cl)sc2c1S	306944920	ZEEKVJVMPLVTPT-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C1CCCCCC1	308042564	BXKYQVYYAILADB-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CCCCC12CCCC2	310281914	PSJRZMBKZAQNEK-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCc1ccccc1[C@H](N)C1CCCCCCC1	310947775	MWPCTEADZSRAKY-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
Cc1cccc([C@H](N)C[C@H]2CCC[C@@H](C)C2)c1C	311031782	SVQVBLKQANICBN-ISTRZQFTSA-N	245.410	4.520	0	10	BJAE	
CCC(CC)[C@@]1(CNC(C)C)CC[C@@H](CC)C1	317820525	CDDLOQWMNPCWDH-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@]1(CNCC(C)C)CCC[C@@H](CC)C1	318001781	AKLFYJPOTANAIC-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC12CCCC2)C1CCC1	324793185	KRSYSFFSQKYZBS-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@H]1CC[C@H](CC)CC1	383076768	RUQNMQBTLPZIQX-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1C=CCCCCC1	383095944	AFZYYYWSTJNRBG-HOTGVXAUSA-N	237.431	4.824	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C(C(C)C)C(C)C	383390611	OUEUYXUSSYUNCX-OAHLLOKOSA-N	241.463	4.848	0	10	BJAE	
CCN[C@H](CC)c1cccc(C2=CCCCC2)c1	385015315	YFSZDSFJZRCCAN-QGZVFWFLSA-N	243.394	4.705	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)c1ccsc1	391190160	FYWHDLNMPGCSJZ-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
CC[C@@H](Nc1cc(C)cc(C)c1)[C@H]1CC1(C)C	397585985	INKDDKCDAYXAHV-HUUCEWRRSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2cccc(F)c2C)C1	398994658	JMWFHQAVUVZGAQ-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
CNCC1(C[C@@H]2CC=CCC2)CCC(C)(C)CC1	402112017	BHCDNCRYPPYJAH-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
C[C@H](CC(=O)CCC(C)(C)C1CC1)C(C)(C)C	405859750	CKGYEKNATAGCLA-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](CCC1=CCCC1)CC(F)F	688878252	VKBBXABOBWVAAM-SNVBAGLBSA-N	202.288	4.558	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)[C@H](C)C1CC1	688964962	PBYVHTQOADONGS-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc([C@H](O)C(C)(C)C(C)(C)C)c1	688971096	KNOMKBKZAXYEBZ-HNNXBMFYSA-N	248.410	4.916	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC[C@H]1CC	691161699	BJYQDDNQHMANSW-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
Clc1sccc1N[C@@H]1CCC12CCCC2	694420169	SOFCTEYJNFYFLA-SNVBAGLBSA-N	241.787	4.536	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCCC[C@H]1C1CC1	696105934	RZEPDICUMTVXOU-BBRMVZONSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@H](NCC[C@H](C)CC)c1ccccc1	696177199	SVNQBGBJZSUWAX-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CC[C@H]1CC[C@](CNC(C)C)(CC2CC=CC2)C1	700968091	CXSFETGRUKDRPR-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C(C)(C)CC	701179976	JZDJMRQDJCVQGG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCCC(C)(C)CC2)C1	704898982	ZECRPIVWXVYJGQ-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@H]2CCC[C@H]21	707808826	IBNMFLWDSDJRLT-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC(C)C)C(C)(CC)CC	709090942	QMVMXKQCWUSVGT-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CCC[C@H](N)C(C)(C)C)CC(C)(C)C	709190073	RLTMFJBJYXPCQB-OLZOCXBDSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H](CC(=O)c1cc(C)ccc1C)C(C)(C)C	711093086	IOAGXKXJJDBFTB-AWEZNQCLSA-N	246.394	4.949	0	10	BJAE	
CCCNC[C@H](CCC(C)(C)CC)CC(C)C	711246141	NSSVUFVCSUKTQO-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CCCNC[C@]1(CC(C)(C)C)CC[C@H](CC)C1	713316556	SPRTXBZATOPAQV-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](CCC(C)(F)F)NCCC	714028504	PIMPOGITIOVMNM-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
CCCN[C@H](c1cc(C)co1)C1(CC)CCCC1	716148342	OIXQFHYNDRUZEA-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)CC(C)C	718590430	SXSNJRSCFXGDDB-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](C)[C@H](CCCC(C)(F)F)NCC	718721966	KKVLOHYIJOQNHZ-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1CCCCCC1(C)C	719251079	HVGMCADBDBMXLO-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H](C1CCCCC1)C1CC1	723982105	LHEZJCXRARTNQS-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(CSc2cccc(F)c2)c(C)c1	1165768342	DJGNNEXFLDBGBV-UHFFFAOYSA-N	246.350	4.735	0	10	BJAE	
c1ccc2c(c1)CC[C@@H]2SCC1CCCC1	1190256638	GHIIYOQGOJAQPE-HNNXBMFYSA-N	232.392	4.597	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC1CCCCCC1	1901054539	CNORLOBJUUXFIF-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCCCCc1nc(CCC2CC2)cs1	1901910328	WQLUSSMQYKJMGO-UHFFFAOYSA-N	237.412	4.609	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cccc(Cl)c1	1905432731	DKQLXZBQWHACQA-BXUZGUMPSA-N	239.790	4.556	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H](C)CC(C)(C)C	1905441674	AJMQJBITDDQBFK-HZSPNIEDSA-N	227.436	4.602	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)C1CCCCCCC1	1910742712	KAPRBTDSMVLXJT-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCC=CCCNC(C)C	1911697017	JIMDGHULJPHORU-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
C=CC=CCC[C@@H](C[C@H](CC)C(C)(C)C)NC	1912116195	BOBXCZGDDKWLEQ-GJZGRUSLSA-N	237.431	4.559	0	10	BJAE	
C=CC=CCC[C@H]1CCCCCCCC[C@@H]1O	1913391041	MVLYBEKBVPYULB-HOTGVXAUSA-N	236.399	4.620	0	10	BJAE	
CCC[C@@]1(CC[C@@H]2CC2(C)C)CCCCCN1	1921541537	QHLZTEFSKBFRDD-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC[C@@H]1CCCC12CCC2	1921636414	OATVCYUYUOPPSJ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1(CCC[C@H]2[C@H](CN)CCCC23CCC3)CC1	1924799551	VUKHQSRVCJQFQL-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
NC[C@H]1CCCC2(CCC2)C1=C1CCCCCC1	1924833980	IVUAUZQELQTUEI-OAHLLOKOSA-N	247.426	4.566	0	10	BJAE	
CC1(CNC[C@H]2C=CCCCC2)CCCCCC1	1925813695	CKCHXXVVZIUBSG-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
C1=C[C@H](Cc2sccc2C2CC2)CCCC1	1925814861	PZUZKUPBSLSGEH-LBPRGKRZSA-N	232.392	4.914	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC[C@@H]1C=CCCCC1	1925919201	BMFXAHNVDKKOJQ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@@H](CCC(C)=C(C)C)NC	1926387741	RIYASQYXZMHGKL-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC(C)CCCCC[C@H](N)CCC1(C)CC1	1935886380	HPOPGNCMHGQBPN-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)CC1CCCCC1	1937166859	HIZVPBKODXUJBZ-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)CC1(N)CCCCCCCCC1	1938718144	FBUHPNMDIAGZOL-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CC[C@](N)(CC1(C)CCCCC1)[C@H]1CC1(C)C	1940409012	MWXQTMPPMKKBHI-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCCC1(C)CC1)NC	1940866088	XYOUSUMBWUKSBA-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CCC(C)(C)C1CC1	1941248017	KIARBEQRMBPNPX-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](NC[C@H](CC)C(C)C)C1CCCC1	1941929904	VFODGLOCTQNNMQ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(F)c1ccc(N)cc1	1942657661	FSOAWPAJNDKMRD-SWLSCSKDSA-N	237.362	4.526	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@@H](C)CCC(C)C	1942657695	ODYRHCHXMQPLRU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CNC[C@]1(C)C=CCCC1	1943134214	PNWKEQFVIMIGKK-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C(C)(C)C1CCCC1	1944634493	ICSWFTLLKDDWFI-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCCC[C@@H]1NCCC1(C)CCCCC1	1945432263	MCZQOQLRTOHFLT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CCCC[C@@H]1CC1(C)C)NCC	1948428961	JDNGCDHLAXHNCJ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@@H](C)CC(C)C)C1	1948982246	MOYHGAKOKHEBGW-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(CCCC2(C)CC2)C1	1949052509	BLFVMLFHZKMQBN-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@](N)(CCCC1(C)CC1)C1CC1	1949055383	PXCGVOUNFFLLIH-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)CCCC1(C)CC1	1949055682	RVQPRFAJHQCBPZ-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CCC2=CCCCC2)CC1=O	1949659564	OQIZEDWMGDCNKM-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)[C@@H]2CCCC(C)(C)CC2)C1	1950915066	WWLFRWKBHPWRPO-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC=CC[C@@H](C)c1cc(C)cc(C)c1OCC	1951308249	CIFRQSALBRROQL-CYBMUJFWSA-N	232.367	4.772	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCCCC23CCC3)C1	1967790056	BCDFCHJJWZPPDC-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1)C1CCCCC1	1968259707	KUMBWNNLQZAISS-MRXNPFEDSA-N	231.383	4.766	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1C[C@H]2CC[C@H]1C2	1968598501	YYYAFYCXWNIUMD-JLJPHGGASA-N	243.394	4.719	0	10	BJAE	
CCC1(CC)CC(Nc2cccc(C)c2F)C1	1969472084	VXAGNDHPGQFNHZ-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CN(CCC1CCCC1)[C@H]1CCC2(CCCC2)C1	1970735169	DIZMXEIXCSCANH-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@@](C)(CNCCC)CC(C)=CCl	1978646416	YMSSVZHHNZBDPX-CQSZACIVSA-N	245.838	4.715	0	10	BJAE	
CCC(CC)C[C@@H]1CCCCCCCC1=O	1980319944	XGZBWSCQGPCVBY-AWEZNQCLSA-N	224.388	4.742	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](CCC)CCC1=O	1984589155	MNPHJVUOTFSIGC-SVDKCWMDSA-N	222.372	4.518	0	10	BJAE	
CCCCCC[C@@]1(C)CCN[C@@H]1CCCC	1984731275	ZILQFHOFEBSJOZ-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CC[C@H](CCC1CC(=C2CC2)C1)CC(F)F	1985533141	SBGQMUHUWHEDQG-SNVBAGLBSA-N	228.326	4.948	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H](CC)C(C)C	1990092072	UZDQZKJWNFDKHZ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCCCN(CCCC)C1CCCC1	1991758952	FSWJBCYSQYYLFC-UHFFFAOYSA-N	225.420	4.611	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@@H]1CCCC(C)(C)C1	1994026367	PKJJANXSELXCKB-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
Fc1c(Cl)cccc1C[C@@H]1C=CCCCC1	1994346570	SNOYXBCFWLONFT-LLVKDONJSA-N	238.733	4.768	0	10	BJAE	
CC[C@H]1CCCCCN1CC1(C)CCCCC1	1995772814	YGZIBIYLKMANFN-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1)C12CCC(CC1)C2	1995986861	GYWPRGOUQLBCAK-BZUNDVKYSA-N	249.785	4.721	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H](C)C1(C)CCCCC1	1995987214	SAYPESAWHHDSBB-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)C1(C)CCCCC1	1995988882	RFDBIKQVDRRZIJ-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC1CCC([C@H](C)NCCCC(C)(C)C)CC1	1996554220	LACJIVNKBGWNNW-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](CC1(C)CCCCC1)NC	1996612026	VQHZRBSVFAGSTM-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)C1CC(C)(C)C1	1998648239	CIXJSFARZGBJKI-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@H]1CCC=CCCC1	1999984698	BIDNZMXLVLTJLZ-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
Cc1c(N)cccc1S[C@H]1CCCC(C)(C)C1	2000051845	RENJNNHNDNAGOS-LBPRGKRZSA-N	249.423	4.638	0	10	BJAE	
CCC(F)(F)CCC(=O)C1(C)CCCCCC1	2000214352	ZXSXRZQAWBOZED-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@H](C)CC(C)C	2000506148	YQEPQDXSDRFEOQ-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C1CC(C(C)(C)C)C1	2002306385	NNAZOKHSCBDFQJ-VXGQWTEUSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC([C@@H](C)NCC[C@H](C)CC)CC1	2002930808	YTWRYXLCOYKWAK-WXLSXGNJSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@](CN)(C2CCCCCC2)C1	2002973813	JTVTUSBTNGKDAV-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2CC[C@H](C)C2)CC1	2004337388	QSJAOPQKXSQDRC-FXQLRMTLSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H]2CCC[C@H]2C)CC1	2006728304	TXTCOKZOJJDHSK-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC(C)=C1C)c1ccsc1	2006923409	SKALLFFWBKFEJG-CABCVRRESA-N	249.423	4.678	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@@H]1CCCC(C)C	2009408679	VVMCPGXJORPPGX-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H]1CCOC2(CCCCC2)C1	2009594998	WKBWQDFLBGLPKC-XYBNCVKDSA-N	236.399	4.862	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1CC(CC)C1	2009617767	WEJAIBFVSJZVRS-ZIULGFOLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NC)C1(C)CCCCCC1	2009634760	IUXHYJKNAXTWBO-MBVDDHJVSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@H](N)c2ccsc2)CC1	2010717395	YLHWSSOOWHWPLG-KBPBESRZSA-N	249.423	4.521	0	10	BJAE	
CC[C@H](C)[C@](C)(O)C1=CC[C@H](C(C)(C)C)CC1	2010718605	BYNWTGYATZBDNY-XEZPLFJOSA-N	238.415	4.556	0	10	BJAE	
CC[C@](CNC(C)C)(CC1=CCCC1)C(C)C	2012424227	DGNSISKZUDPRAF-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCC(O)(CCC)CC12CCC(CC1)CC2	2012823024	YIFZGZHGUQLZPO-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@H](N)c1sc2ccccc2c1C	2014290961	JTRFJLQTXOHZDJ-ZDUSSCGKSA-N	247.407	4.790	0	10	BJAE	
CC(C)C[C@@H](C)CN(C)[C@@H](C)C1(C)CCCC1	2014392722	NQKPWOXEMIMHGC-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCC[C@@]1(CCC(C(C)C)C(C)C)CCCN1	2015356167	FCOUYNSEGWCSLL-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C[C@@H](C)C(C)C	2015397727	JQDVHCGFRIHESD-SQWLQELKSA-N	237.431	4.523	0	10	BJAE	
CC[C@@](CNC(C)C)(C[C@@H](C)C(C)C)C(C)C	2015400709	QSZUZXQUZJKIIV-CVEARBPZSA-N	241.463	4.719	0	10	BJAE	
CC(C)(CC(F)F)C(=O)CCC1=CCCCC1	2016020564	OGPOXMFHZAOLFG-UHFFFAOYSA-N	244.325	4.518	0	10	BJAE	
CC[C@H]1CCC[C@]1(O)CC1(C(C)(C)C)CCC1	2017113858	FXTDVKGNWNZBBY-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@H](N)C2(C(C)(C)C)CCC2)CCC1	2017133523	SPBDUDDXPZLELT-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(CSc2cccc(N)c2)CC1	2017726171	OXJNUUZDHUIMTD-UHFFFAOYSA-N	249.423	4.577	0	10	BJAE	
C[C@H](CCNC(C)(C)C)C[C@H]1CC[C@H](C)CC1	2017735674	VQUCVOZCCLZRIT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC)NCCC1CCCCC1	2018139145	OPMUACFUHIBBSB-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCCC[C@@](N)(CC)C1CC(C2CCC2)C1	2018139722	UXDBQZAEILTALC-GPANFISMSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](C)C1(C)CCC1	2019194735	RSBSDSYKACHBEJ-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCN(CCC(C)(C)CC)[C@H]1CCCC1(C)C	2022049943	HKVVROPZSKMNMC-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@](C)(O)C1(C)CCCCC1	2022447706	IBRFTUULCGNDIB-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC(=O)CC[C@@H]1C[C@@H]1C1CCCCCC1	2022555426	XPKAEAMHIXXNPI-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H]1CCCC[C@H]1CC	2022556429	GDKVQLPXPISDLM-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H]1CC(C)(C)C[C@@H]1CCCCCC(C)C	2023616865	OXNKOQJBEOEVIY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(-c2cc(N)c(C)cc2Cl)cc1C	2023940294	OPRSSYSURGSKHF-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CN(CCCC(C)(C)C)[C@@H]1CC(C)(C)C1(C)C	2025062743	UTVOUYBDCFBBRR-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)C1CC2(CCC2)C1	2026166083	HEKKIYOMIBMOKT-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CC1(CCC(=O)c2ccc(C3CCC3)cc2)CC1	2027731812	HMSWBXKYFWNIOH-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
C[C@@H](C[C@H](O)C=Cc1ccccc1)CC(C)(C)C	2028586729	VMQWLSUMPFHXQN-GOEBONIOSA-N	246.394	4.523	0	10	BJAE	
CC(C)c1ccccc1NCC1CCC=CCC1	2028899923	KLKGTEHAGFKIPP-UHFFFAOYSA-N	243.394	4.968	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C1(C)CC(C)(C)C1	2029104486	IGGSMMFLBFGSDX-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@H](N)[C@]23CCCC[C@H]2CCC3)CC1	2031756043	AXSZWOKRJCJGAV-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cccc(C3(C)CC3)c2)C1	2032244727	FGECZEUPZHTDDC-CJNGLKHVSA-N	243.394	4.729	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)C[C@@H]1CC=CCC1	2032342599	WGUPJTUDPNJFLW-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(NCC(C)(C)C2CCCC2)c(F)c1	2034019656	RWJBYLLXKCNUEF-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)c(F)c1	2034259476	BSQFBXBTWKYMCV-VNHYZAJKSA-N	247.357	4.515	0	10	BJAE	
Cc1cccc2c3c([nH]c12)C(F)(F)CCCCC3	2035245280	BRBNYKWNSXVQBH-UHFFFAOYSA-N	249.304	4.685	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCC1)C1(C)CC(C)(C)C1	2035593047	OSISDSZIEVQPKX-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)C1CCCCCC1	2037101862	LMPFJWGUCDLKRR-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C)c([C@H](N)CCCC2CCC2)cc1C	2037143876	WBIHJDJUHBSGLD-QGZVFWFLSA-N	245.410	4.582	0	10	BJAE	
CC1(C)CCC[C@](N)(CCC2=CCCCC2)CC1	2037171895	PIQRONAIPZZBBL-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1C1C(C)(C)C1(C)C	2037220823	MYZPYCVETAVVDI-RISCZKNCSA-N	243.394	4.514	0	10	BJAE	
C1CCCC(CNC[C@@H]2CCC3(CC3)C2)CCC1	2038580814	XBFXDJNPLBPASL-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC1(c2cccc(C(=O)CCC3CCC3)c2)CC1	2042745439	UPBOYCMUKZQHRH-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)C1CC(C(C)(C)C)C1	2043002555	YHCLJZZTGRKZOC-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
NC[C@@H]1CCCCC[C@@H]1C[C@@H]1CCC=CCCC1	2045328666	GYCQEUMOSXGZRC-ZACQAIPSSA-N	249.442	4.668	0	10	BJAE	
CN[C@H]([C@H]1CCCC(C)(C)C1)[C@@]1(C)CC=CCC1	2045390171	CSYSTLQHUMHNSI-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)C1(C)CCCCCC1	2045736547	WNCUHXLCIHLSHI-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CCC(N)([C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2047356114	BIOJBBGAWIWLSH-RZFLTCLSSA-N	249.442	4.501	0	10	BJAE	
C[C@]1(C(=O)CC2[C@@H]3CCCCC[C@@H]23)CC=CCC1	2048472993	IZPKSFRWKRSTBF-CPUCHLNUSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2CCC3(CC3)C2)CC1	2049848637	KNEYJSWULOTYBT-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@H]1CCC2(CC2)C1)C1(CC)CCC1	2049858791	PPWGHLFQFKTLBC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@@H](NC2CCCCCCCCC2)CCC1	2055549980	QGFBBBPYJHVFEU-KRWDZBQOSA-N	249.442	4.968	0	10	BJAE	
CC1=C(C)[C@@](N)(CC2CC(C(C)(C)C)C2)CCC1	2055598272	LIKBPZVGXWPGOD-DQPZFDDXSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@H](C)C1CCCCC1	2056873548	OJGDCNWPLBRXEY-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C(C1CC1)C1CC1	2059250380	PZSFRHOWRYAQOS-LLCTXKFZSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC=C(C2(N)CCCCCC2)CC1	2061113830	SAUYKGPLMIYSEE-AWEZNQCLSA-N	249.442	4.811	0	10	BJAE	
CCCc1ccccc1NCC[C@@]12CCC[C@@H]1C2	2061570941	GYDVZMVCZJOABT-NVXWUHKLSA-N	243.394	4.631	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C2CC(=C3CCC3)C2)C[C@H]1C	2061731771	WRMAFMDHNBVPMA-YRGRVCCFSA-N	246.394	4.518	0	10	BJAE	
CCCC1CC(CN[C@@H]2CCCCCC23CC3)C1	2062021824	YGWPRSKKIXPXNQ-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@H](C)C1CC2(CC2)C1)C1CCCCC1	2064504006	YRXPOUYSWDFJJI-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CC1CC1)NCCC12CCC(CC1)CC2	2065257029	AFPMENHMNCBIGT-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC12CCC(CC1)CC2)C1CC1	2065337881	OQHWEWLUFIFHBF-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@H](C)C2(C)CCCC2)C1	2067570609	NXBULWMKFXMNSH-IMJJTQAJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@@H]2CC23CCC3)CC1	2069191201	WVFFUKSMAIAPOK-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC[C@@H](NCC)c2ccco2)CCC1	2069341837	JDVAHJLDFAAJJJ-CQSZACIVSA-N	249.398	4.681	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@H]1C(C)(C)C)C1CC=CC1	2070807229	IDZRDRNJKJLWQH-NUEKZKHPSA-N	249.442	4.536	0	10	BJAE	
Cc1cc(F)cc(C(=O)CC2(C(C)C)CCC2)c1	2071918388	STSSOANSKKIKMR-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCCC[C@H](CC)Nc1cnccc1C(C)C	2073342239	VBOKUEZSKNQQNP-AWEZNQCLSA-N	248.414	4.976	0	10	BJAE	
C[C@@H]1CC[C@H](N(C)[C@H](C)c2ccccc2)C[C@H]1C	2074797659	SHYNZNVEMLZHHJ-ANQUJSFKSA-N	245.410	4.504	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2075569108	OITIGYKUVFUQQK-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1Nc1ccccc1C1CC1	2077264766	ZROPSRZSDDVMJR-CJNGLKHVSA-N	243.394	4.945	0	10	BJAE	
CCCCCc1ccc([C@H](N)C2(CCC)CC2)o1	2077987597	WMYKNICTRZQZHC-HNNXBMFYSA-N	249.398	4.592	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2C[C@@H]2C2CCCC2)CCC1	2079434111	DVBNVILMZZUEFD-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)n1nc(C(C)(C)C)c(C)c1Cl	2079799388	YYUMOMWAAKWDPB-UHFFFAOYSA-N	242.794	4.504	0	10	BJAE	
CCc1ccc(C(=O)C[C@H]2C[C@H]2C(C)(C)C)cc1	2079840952	FYEWBTAMLAVPNN-HUUCEWRRSA-N	244.378	4.504	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2079845575	ZAXCTFVBGSLUII-BOLLXYOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@]1(N)CCC2(CCCC2)C1	2079885980	MTRONXCNLIPXPS-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CC(C)=CC[C@@H](N)c1ccc(C2CCCC2)cc1	2081786399	RIIQJVMWDKXBFR-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CCN[C@H](CC=C(C)C)c1cccc(C(C)C)c1	2081794369	BADKQFKLDZFTKU-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](C)CCC=C(C)C	2081947459	SNBFLXVWAWOJHB-CYBMUJFWSA-N	249.373	4.935	0	10	BJAE	
CCCC(CCC)NCc1cc(C)cc(C)c1C	2082950327	JMPOROBEOQTRDI-UHFFFAOYSA-N	247.426	4.670	0	10	BJAE	
C[C@H](C[C@@]1(N)C[C@H]2CCC[C@H]1C2)C1CCCCC1	2086165344	OHCRPPZJMQIQQH-YQFWSFKMSA-N	249.442	4.501	0	10	BJAE	
C1=C[C@H](CNc2cccc(-c3ccccc3)c2)CC1	2096795159	YTCMXFDGSVOGGI-HNNXBMFYSA-N	249.357	4.732	0	10	BJAE	
c1ccc(-c2ccccc2NC2CC3(CC3)C2)cc1	2131112731	DOOZLBFTVIAHMA-UHFFFAOYSA-N	249.357	4.708	0	10	BJAE	
Cc1cc(C)c(C[C@@H]2C=CCCC2)c(C)c1	2211934705	CWRKJRFSAUUOKE-OAHLLOKOSA-N	214.352	4.511	0	10	BJAE	
CCCCC[C@@](O)(CC)CCCCC(F)F	2212223886	NAISUWKUXBSMKH-ZDUSSCGKSA-N	236.346	4.533	0	10	BJAE	
CC[C@H]1C[C@H]1CCOc1ccccc1C(C)C	2215346113	ODYUOELPHPCMCN-UONOGXRCSA-N	232.367	4.625	0	10	BJAE	
Cc1cccc(C)c1OCC1(C)CC(C)(C)C1	2215429338	GQDPMLOXADEXCV-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)C)[C@@H](C)[C@@H](C)CC	2217126760	BNRJPJFFFWGDQQ-VGWMRTNUSA-N	241.463	4.719	0	10	BJAE	
CCCCC1(CN[C@H](C)CC)CC(C(C)C)C1	2217148150	BMXRJJFOGIFQGF-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218360234	ZYKVZMYSTMRVJV-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1[C@H]2CCCCC[C@H]21	2218721980	XGANQKMOVBGWGS-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C/C=C/c1ccccc1	2219065153	FYXVTOPTOAGSPN-UEICXMAYSA-N	244.378	4.587	0	10	BJAE	
CCCCN(CC[C@@H]1C[C@@H]1CC)c1ccccc1	2220985800	ODQXCFYGONOYPI-JKSUJKDBSA-N	245.410	4.729	0	10	BJAE	
CCCC1CC([C@H](N)CC2(C)CC3(CCC3)C2)C1	2221016799	RAXHDOWFRBVTJY-YMAMQOFZSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1cccc2ccoc12	2224181577	QKMXHDVRZJHUGS-DOMZBBRYSA-N	245.366	4.649	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H](C)C(C)(C)C)C1	2246662805	IDKMZFOXCFNUKU-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
CCCNC[C@H](CC)CC[C@H]1CCC[C@H](C)C1	2246664799	JJWZTGXLZMIYMS-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)[C@H](C)CC(C)(C)C	2247122529	ULRFEQSQTJGWET-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1(C)CC(C)(C)C1	2247162051	FUCHXEWBXNSNFI-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
O=C(CC1=CCCCC1)c1csc(C2CC2)c1	2248073210	BBXAQDKYBYGXPU-UHFFFAOYSA-N	246.375	4.699	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)c1cc(C)c2sccc2c1	2248577657	KWAHHVQANXURLM-QMTHXVAHSA-N	247.407	4.646	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CCCCC[C@H]1C[C@H]1C	2248870346	LSPYNZZNVJXUJS-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC[C@H]1CCCC12CC2	2250361279	LDHFTFVRHWUVLJ-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](N)[C@](C)(F)CC[C@@H](C)CCCC(C)C	2250480094	BRMBAJDGNUWLLS-SOUVJXGZSA-N	245.426	4.695	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)[C@@H]1CC1(C)C	2250517957	GKZZIUZYBBUTMJ-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@]12CCCC[C@@H]1CC2	2251218195	IKQIODGKHPRGJU-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)C1CC(CC(C)(C)C)C1	2251535857	OVMRXEXWYYHSKN-KBHBFKLGSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)CC[C@@H]1CCCCC12CC2	2253798567	XMLCCJQYPHBDOX-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@]1(C)NCC[C@H]1CCCCC12CC2	2253885801	FSRVYURHAJMKGU-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NCC[C@@H]1CCCCC12CC2)C1CCCC1	2253890196	JKSSLRRZKQEMAD-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC1CC2(CCCC2)C1	2254072157	MWDATFQSLZWICF-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H]1CCc2cc(N)ccc21	2254506844	WXMIAMXDMIXOBV-HZSPNIEDSA-N	243.394	4.515	0	10	BJAE	
CCc1cc(F)ccc1NCCCC[C@@H]1C[C@@H]1C	2254520866	JKJVJYRERSWJAO-GXTWGEPZSA-N	249.373	4.626	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)C1(C2CC2)CCCC1	2254542126	DZBOXGCCUJUSOT-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1=CCCCC1)[C@]12CCCC[C@@H]1CCC2	2255063839	NTTIKKSCNPUAIE-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(N)CC1=CCCCC1	2255092501	UURUNDVFTMURCE-HYVNUMGLSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC2=CCCCC2)CC[C@H]1C	2255136797	KJIDHKUBPCYKFP-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1(C(=O)CC2=CCCCC2)CCC2(CC2)CC1	2255187023	TWYLBONMABEGPL-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCCC12CC2)CC1(C)CCC1	2255246347	OGJVKAFZQOQRIT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)C=CCCC1(C)C	2257302928	KTQVVSPOEJHFKV-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
O=C(C[C@@]12CCCC[C@@H]1CC2)C1CCCCCC1	2260564817	IIONITOZMVEYKR-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
Cc1cc(C)cc(NC[C@@]23CCCC[C@@H]2CC3)c1	2260579793	TVHGXPQLOYVKTC-WBVHZDCISA-N	243.394	4.686	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@@]12CCC[C@@H]1CC2	2260658353	OTCYUEVDRBHISD-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC(=CC1CC(CC(C)(C)C)C1)[C@@H]1CC[C@@H](N)C1	2261295577	KQQYXOAFRHDSBS-QDIHITRGSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@@H]1[C@H](NCC)C(C)(C)CCC1(C)C	2261441444	DFHVOCZTHHNBBY-CABCVRRESA-N	249.442	4.548	0	10	BJAE	
C=C=CCCc1ccc2oc3ccccc3c2c1	2263839799	UDZVAIDHGXASRO-UHFFFAOYSA-N	234.298	4.860	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@@H]1CCCC(C)(C)C1	2298948263	KTRUZKRQBIVMHQ-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCC2(CCC2)C1	2300674345	SQNAJULBBCXRSM-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)CC[C@](C)(CNC(C)C)C(C)C	2300701854	ULJWGRYNXKGGBC-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
CCCCC1CCC(N)(CC=C(C)CC)CC1	2300891294	NPAJRXLQPBFFDJ-UHFFFAOYSA-N	237.431	4.811	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CCCCCC1(F)F	2300906226	GGPQDNKSKXRROH-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
CC(C)c1ccccc1O[C@H](C)[C@@H](C)C(C)C	2301840020	LGFMFYCFZTUJSV-UONOGXRCSA-N	234.383	4.869	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@H]1CCC(C)(C)C1	2302751086	OUAWQAOHEGBNCW-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1CC[C@@H]1C(C)(C)C	2303507844	HRRZYMSYHSXCCJ-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)c1F)C1CC1	2307573168	AJXMLNIPTDZYEK-ZDUSSCGKSA-N	235.346	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CCC(C)(F)F)NCC	2307898360	JPDDNFUFANBLRD-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@H](C)CC(C)(C)C	2307911848	YRAZHWLNIWTOPZ-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCC[C@H](NC[C@@]23CCCC[C@@H]2C3)CC1	2311126522	IMHPFZUMTCHFOX-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@@]12CCCC[C@@H]1C2)C1CCCCC1	2311130348	MQKMHVAEXMERML-RKTXRCNFSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN(C)c1ccccc1)CCCC(C)C	2316514474	FDEMCAWNDLGDQO-UHFFFAOYSA-N	245.410	4.895	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1ccc(C2CCC2)cc1	2316534084	AAHBTVYWHHOOCZ-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C[C@@H]1C[C@H]1C(C)C	2317903122	BPJMIDWUNBNCQY-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CC(C)(C)[C@@H]2C)c1	2318181355	DLBYKGMFOTWLMQ-WBMJQRKESA-N	245.410	4.658	0	10	BJAE	
CC(C)c1cccc([C@@H](O)CCCCC2CC2)c1	2318882433	LLJWQNQZFYOFBQ-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C[C@H]1CCC(C)(C)C1	2319025051	UIWVUTGGICPVLC-HUUCEWRRSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC(C)(C)C1)c1ccoc1	2319029970	IXFMKCWEOUXWPB-DZGCQCFKSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1cc(F)ccc1C1CC1	2319171363	MWZHRSMJGLNKRT-MEDUHNTESA-N	249.373	4.529	0	10	BJAE	
O=C(CC[C@H]1CC[C@H]1C1CC1)CC1CCCCC1	2319738091	OHBRFZUHNPGAQP-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(F)c1NC[C@@H]1CC[C@H]1C(C)(C)C	2320324988	PDSVVVUDAKMXGO-QWHCGFSZSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CC(C)(C)CC[C@@H]2C)CC1	2320408089	HKHMZLYPMBQLJO-NUEKZKHPSA-N	249.442	4.680	0	10	BJAE	
CC[C@H](C)NCC1([C@H]2CCC[C@@H](C)C2)CC=CC1	2326699016	JDFKQZKRHLJKBI-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(N[C@H]2C=CCCCC2)c1F	2327778533	QTRCVDRGJDYSSU-ZDUSSCGKSA-N	247.357	4.860	0	10	BJAE	
CCC[C@@H](CC)C[C@@](N)(c1ccccc1)C(C)C	2328194351	UPAGXMWDAIOAPQ-WBVHZDCISA-N	247.426	4.713	0	10	BJAE	
CC1(C)CCC[C@]2(C)c3ccccc3CC[C@@H]12	1866437	HOJLWWVMRBERAQ-DOTOQJQBSA-N	228.379	4.717	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C)c(C)c1	21511654	FABBMIVEQDHIDF-KMFMINBZSA-N	245.410	4.533	0	10	BJAE	
CCC[C@H](N)c1ccc(-c2ccc(C)cc2)s1	36927536	GBLZXTNDUCDYQM-ZDUSSCGKSA-N	245.391	4.523	0	10	BJAE	
CC[C@H](C)Nc1ccccc1SC1CCCC1	37123481	NEEPEGXKMASEMH-LBPRGKRZSA-N	249.423	4.932	0	10	BJAE	
CCC[C@H](CC)N[C@@H](c1cccs1)C(C)C	50402115	FSOGWGKQPAITJF-GXTWGEPZSA-N	239.428	4.614	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@H]1CCCC[C@@H]1CC	68848423	MKTGQPYQGQTNIQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)n1c(=S)[nH]c2ccccc21	69235012	XOEUJGLGGNTJHY-LLVKDONJSA-N	248.395	4.696	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@@H]1CCCC[C@@H]1CC	70414565	LXBMVHSCQCTBQG-NUEKZKHPSA-N	249.398	4.537	0	10	BJAE	
C[C@H](Nc1ccsc1)c1ccc(Cl)cc1	85527500	XEHWJQHILCDJQO-VIFPVBQESA-N	237.755	4.575	0	10	BJAE	
Cc1ccc2c(c1)C(C)(C)CCC[C@@H]2C	85867185	RIHWULAZACSXEV-LBPRGKRZSA-N	202.341	4.560	0	10	BJAE	in-vitro
CCCCC[C@@]1(N)CCC[C@@H](C(C)(C)C)CC1	86956297	RVTTZZXUEHEFQN-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCCCCNc1nc2c(C)cccc2s1	91945972	LQJLVEMHPLORAE-UHFFFAOYSA-N	248.395	4.597	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1/C(C)=C/CCNC(C)C	93675482	UAUKORZXWYFLNY-BNSCMJDNSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(-c2ccc(Cl)cc2)cc1C	101988284	LYEZRZSXPOJQPD-UHFFFAOYSA-N	216.711	4.624	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	109996540	HOEYZWKIRMFDEQ-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
Cc1csc(-c2ccc(C(F)(F)F)cc2)c1	114414803	OWRHGCYCEFTOQH-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
CC(C)(C)c1ccc(-c2cc(Cl)ccn2)cc1	145475840	MPUIHZQDUATGIX-UHFFFAOYSA-N	245.753	4.700	0	10	BJAE	
CCCc1ccc(-c2ccc(F)c(F)c2)cc1	164319240	YFWIAHIWUXKPNB-UHFFFAOYSA-N	232.273	4.584	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)c1ccccc1	211860678	PSIUDRIMXTYQEK-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
FC1(Cc2cccc(Cl)c2)CCCCC1	220500574	FKLLSWFAOYAZSP-UHFFFAOYSA-N	226.722	4.555	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC[C@@H](C)[C@@H](C)C1	220641451	UAUYAJXIXOZBTN-UGUYLWEFSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](C=C(C)C)c1c(C)cc(C)cc1C	229745297	FZPIXJVTVQJFLT-INIZCTEOSA-N	245.410	4.619	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](Nc2ccsc2)C1	230772942	LLSURUWLMRLLKQ-STQMWFEESA-N	237.412	4.765	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[Si](C)(C)C	230926826	ILMZVZUKNBZIEQ-UHFFFAOYSA-N	243.511	4.519	0	10	BJAE	
CCCN[C@H](c1c(C)cccc1C)[C@H](C)CCC	233136144	XHBMHMMFMCBWJQ-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@H](C)CC(C)(C)C)C1	253046158	PPZRBPWXRTTXJI-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
CNc1ccc(-c2ccc3cc(C)ccc3c2)cc1	259057264	AXBDTTWMYJRNSJ-UHFFFAOYSA-N	247.341	4.857	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@H]1CC[C@H](C)C1	300141673	RZEKKBXNYFCOFX-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(CCNCCCC(C)(C)C)CC1	302269009	GUQXCRUBSIHIEW-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](N[C@H]1/C=C/CCCCC1)c1cccs1	302356270	GHOMYZJWMJMHAH-YESVKVCSSA-N	249.423	4.678	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](CNC1CC1)C1=CCCCC1	302607314	XLJNHUWGNBKVCK-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](C)CCC(C)(C)C	304338964	FFKHROPPWNNEJV-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@H](CCC)CC(C)C	308024163	MESVBSARFIYLLR-ZNMIVQPWSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C1CCCCC1	308100685	DOAIXULVCNYIPS-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CC2CCC(C)(C)CC2)C1	310438384	RUBMUKWTIJFNKL-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@]1(C(CC)CC)CC[C@@H](CC)C1	319246762	XRXHFVUMZBKBIA-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)C(C)(C)[C@H]1CC[C@H](C)CC1=O	319622816	MWZVQLJNDLRMBB-XUXIUFHCSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](Nc1ccccc1C(C)C)[C@@H]1C[C@H]1C	321083625	MEUOJYAMDQJXML-YUELXQCFSA-N	231.383	4.657	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)c1cc(C)cs1	379065516	RDQMIWFIMDWQRP-AAEUAGOBSA-N	239.428	4.533	0	10	BJAE	
Cc1cccc(F)c1NCC1CCC(C)(C)CC1	380920651	CVBGRIZUCNWBNA-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CN[C@H](C)CC(C)(C)CC1CCC(C)(C)CC1	383886020	KRHDUOZLEZCFFI-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2CCCC[C@@H]2C)CC1	385091771	YDMUHDLTVFTVPS-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@H]1CCC[C@@H]1C	394144366	NMWSPNYMSGIFMW-QRTARXTBSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H](Nc1cc(C)ccc1C)C1CCCC1	395536716	AHJSVHFMLNEZDX-OAHLLOKOSA-N	231.383	4.684	0	10	BJAE	
CCc1cc2c(F)csc2cc1C(F)(F)F	396291694	CYMYLFQRXPQTJF-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C[C@H](C)C1CCC1	398723128	GXPGVVWAQBRVQS-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC(C)CNC[C@]1(CC2=CCCC2)CCC[C@@H]1C	401095991	FGBYDYHMMDTPPR-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC1CCCCCC1	401359463	HMDYNNJNKWKOPI-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)(CCC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C1CC1	405889662	RDDSRTAZQVBQMB-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CCC(C)(C)C1CC1	406026083	JUMQQFOCHXKYKO-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)[C@@H](O)C1CC(C)(C)CC(C)(C)C1	688321055	ZNFWBQFJTAHDPL-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CCSc1cccc(N[C@H](C)[C@H]2CC2(C)C)c1	689684212	GFEBFBGBDYBLGE-BXUZGUMPSA-N	249.423	4.645	0	10	BJAE	
CCC[C@H](c1ccccc1)[C@H](CC(C)C)NCC	695080357	WLCBLNVINKHHCX-SJORKVTESA-N	247.426	4.595	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1ccc(C(C)(C)C)cc1	696178642	SFAAJXQDXVHGAJ-OAHLLOKOSA-N	247.426	4.810	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@H]1CC2CCC1CC2	697775726	VKBHLLFJVWTUBK-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@@](CCC=C(C)C)(CNC2CC2)C1	698056234	PNCSONJJGLZICF-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(C)(C)C)NC1C(C)(C)CCC1(C)C	699551267	RELMYLBZXBOSHI-GFCCVEGCSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@H](C)CC(C)(C)C)c(C)c1	704726653	CABUCPKZFGDXOH-ZBFHGGJFSA-N	247.426	4.684	0	10	BJAE	
CCCC(N)(CCC)CCCC(C)(C)C	707644632	UXLYUNZGBVFJQD-UHFFFAOYSA-N	213.409	4.501	0	10	BJAE	
C[C@@H](C[C@@H](N)C1(C)CCCCC1)CC(C)(C)C	709099833	CYDKKBGFIOHLEI-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](O)(C[C@H](C)CC(C)(C)C)C1	709260640	OKKGUVXHMMMMCX-HLPPOEQASA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@@H]1Nc1ccc(C2CCC2)cc1	709659795	YSPVIPYVAWKKRN-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@H]1CCCC2(CC2)C1	709977143	LIEYDWAOWCMLQB-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@H]1CCCC2(CC2)C1	710136298	PPQMPEGJWXBYFE-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)c1cscc1Cl	710400375	MBQKLKYTCCWKDL-MRVPVSSYSA-N	244.787	4.657	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C1(CC)CCCC1	713128150	YRKJMWWCCHZTAC-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)C1(C)CCCCC1	713708253	FEFRPJYHEFZMBC-WLMCBFPDSA-N	249.442	4.847	0	10	BJAE	
CC(C)=C(C)CCc1ccc(C2CC2)s1	718691103	LOXUNZJTDBTNDV-UHFFFAOYSA-N	220.381	4.914	0	10	BJAE	
CCCC(CCC)C(=O)CCC(C)=C(C)C	718708508	HYRWSKXJIXDMLU-UHFFFAOYSA-N	224.388	4.908	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCC(C)=C(C)C)C1	719151724	PGSBBSMDPUNSPF-LSDHHAIUSA-N	236.399	4.908	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@]2(CN)CCC=CCCC2)C1	719341741	ZVVCUQPNXFHBEJ-HZMVEIRTSA-N	249.442	4.524	0	10	BJAE	
CCCC[C@H](CCC)NCCCCC1CC1	720110320	SOQMCUNQVAXEKZ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	723637758	TZMSGONRKCUWGB-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H](C1CCCC1)C1CC1	723996502	VZQMVSPCZSHHGB-DYVFJYSZSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(NCCC2CC=CC2)CC(C)(C)C1	724184380	ZTFTZRCJLWKUDX-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CC[C@H]2CCCC[C@H]2C1	724208830	BRQLJPBUQCFJCX-OWCLPIDISA-N	231.383	4.636	0	10	BJAE	
CC(C)CS[C@H](C)c1cccc(Cl)c1	1188094350	HNFNQXAYPUKZDO-SNVBAGLBSA-N	228.788	4.790	0	10	BJAE	
C=C/C=C\CCN(C)C1CC(C)(C)CC(C)(C)C1	1460374854	NXGGUUYSTJJAMD-HJWRWDBZSA-N	249.442	4.655	0	10	BJAE	
CC(C)C[C@H]1CCCN1C[C@@H](C)CC(C)(C)C	1653295318	JUBQCTRRTACXBX-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
Cc1cccc(NCc2csc(C)c2C)c1C	1660965573	XTMVLZHGMVXIOJ-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CC1(C)CC(N[C@@H]2CCCCC23CCCCC3)C1	1875421042	XOBUXOFCHQVXDL-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)CC[C@H](N)c1scc(C)c1C	1900692802	HUHFWFNTKLDNDI-ZDUSSCGKSA-N	239.428	4.581	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H](CC)CCC1=O	1900712232	HZNSZARKKKVVTA-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CC(=CC[C@H](N)CC(C)C)CCCC(C)C	1900867365	VSHKUPSZLSDDDM-HNNXBMFYSA-N	225.420	4.523	0	10	BJAE	
CCCC[C@H](O)CC=C(C)CCCC(C)C	1900904039	AQQCGVLPNFUSJT-HNNXBMFYSA-N	226.404	4.700	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)[C@H](C)C(C)C	1901525499	FJIULJUYNCCBBB-KFWWJZLASA-N	227.436	4.616	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1sc(C)cc1C	1905374322	NIPSKYZNUQABMC-STQMWFEESA-N	240.412	4.615	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)CCC(C)(C)C	1905389909	MNZLVDPVISVNHH-ZFWWWQNUSA-N	228.420	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1ccc(Cl)cc1	1905454701	UQPFHPIZQACNLQ-RISCZKNCSA-N	239.790	4.556	0	10	BJAE	
CCC[C@H](C)C[C@@](N)(CC)c1ccc(CC)cc1	1920449006	LQDSLMZPMHQOIE-YOEHRIQHSA-N	247.426	4.639	0	10	BJAE	
CCCC1CC([C@@H](O)CC2(C)CCCCC2)C1	1921105552	QKHORPBOUGIMHX-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCC1CC(C(=O)CC2(C)CCCCC2)C1	1921283406	XTQQAYWZKMXSAB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)C[C@H](O)CC1C[C@H](C)C[C@@H](C)C1	1926351826	CWIAWEGBBMACDO-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cc(Cl)sc1C	1933605505	QIBQQYMQVZYEEJ-JTQLQIEISA-N	245.819	4.536	0	10	BJAE	
Cc1cc(C(=O)CCCC2(C)CC2)sc1C	1935939936	MFDORPLIILHQJU-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CC(C)c1cnc([C@@H]2C[C@@H](C)C[C@@H](C)C2)s1	1937458855	QSKSTTTVZMDMID-GDNZZTSVSA-N	237.412	4.806	0	10	BJAE	
CCCN[C@H]1CCC[C@H]1CC1(C)CCCCC1	1940416353	QJWORFHCKPIHJW-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C[C@H](C)C1CC1	1940707296	WKIBYPCPNDAPBV-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC1(CCC[C@H](N)[C@H]2CCCCC2(C)C)CC1	1940873520	BXERUUXCSJNJMV-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C=C(C)C1CCC(N)CC1)CC	1940964693	CKLYDNXHRFHVEP-QQFBHYJXSA-N	237.431	4.667	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)C1CCCCCCC1	1942665669	ZSWJYXRWMPMQAK-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CNC[C@](F)(CCCCCC(C)C)C(C)(C)C	1944396984	CLIWYEJKIXTQQW-OAHLLOKOSA-N	245.426	4.567	0	10	BJAE	
Cc1nc2ccc(C3(C)CC3)cc2c(Cl)c1C	1944606948	QZVJPKOOGQCVIU-UHFFFAOYSA-N	245.753	4.557	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CCC[C@H]2CC2(C)C)C1	1945587552	ZETZJHSCGQXFNY-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCC(C)(C)C1)C(C)(C)C	1949551288	JFLJHBBACOOPEB-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CCC2CCC2)CC1	1950916775	BUOTYYXHFMWIAL-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](NC)[C@@H]1CCCC(C)(C)CC1	1950920380	UXPMOMDPQFJJCU-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1c2ccccc2CN1CCC1CCCCC1	1963111208	NSEDJPUCVZEDRC-AWEZNQCLSA-N	243.394	4.534	0	10	BJAE	
CCC[C@@H](C)CN1CCC[C@@H](C(C)(C)C)CC1	1969638577	WCFKBBSURDQYGY-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CC(C)Sc1ccccc1N[C@@H](C)CC1CC1	1970341343	AVLDBPSKAGEKQG-LBPRGKRZSA-N	249.423	4.788	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@@H]1CCCCC12CC2	1972744892	PVRZZSLVVKZWJS-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C1(C)CCCCC1	1975572459	CINDJLOVPBHRRW-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@](C)(N)C1CCC(C)(C)CC1	1975998954	SFGOFHWLTCZFGU-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C(C)(C)CCC	1976006609	BOFZELWMVKTXJK-ZDUSSCGKSA-N	226.404	4.988	0	10	BJAE	
CCCC1CC(Nc2ccc(C)cc2Cl)C1	1984692001	INKCKYKKYWIZMI-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CCCCCC1CC(N)(CC(CC)CC)C1	1984746039	FXLQWEWETUIZAB-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CCC1CCCC1	1986936602	FWMMQQXAELZDFN-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCCC)C(C)=C(C)C	1989667259	SYTNYFYMSNSZIB-UKRRQHHQSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@](O)(CC)C1CCC(C)CC1	1990091695	QAHMKJZABQSBAA-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@@H](C)[C@@H](C)CC	1990888356	QRQHCGSOWCDAJI-KKUMJFAQSA-N	227.436	4.712	0	10	BJAE	
C[C@@H](CC1(O)CC(C)(C)C(C)(C)C1)C(C)(C)C	1997807874	GMIFVLWQLSYUJD-LBPRGKRZSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)c1ccc(NCC2CC(C)C2)cc1	1998416691	XHZNIMYSIZJACS-ROKHWSDSSA-N	231.383	4.658	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CCC=CCCC2)C(=O)C1	1999982583	BVUNXCQIZBGFNW-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
Cc1cscc1[C@@H](N)C[C@H]1CCC=CCCC1	1999988623	RXEVITXVYTVPHX-ZFWWWQNUSA-N	249.423	4.583	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)[C@@H](C)CC(C)C	2000517232	ATQLGIPPKGKOLX-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)[C@H]1CCCC(C)(C)C1	2002981490	BZOGRPJXXVJMPT-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC)CCCC(C)(C)C1	2002993405	KPWJQHIBSFWZPF-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CC2(C)CCCC2)C1	2003013358	GWEAJWNMMMQRMY-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCC(N)(CCC2CCC2)CC1	2004336961	LWNXZOVMZROBRW-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCCCN1CCCC[C@@H]1C1CCCCC1	2004372807	OPJPADNJENYWKZ-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CC[C@@H](N[C@H](C)C1(C)CCC1)C1CCCCC1	2004833459	JZTAVVYTSSUEOD-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](C)NCC1(C)CCCCCCC1	2004937053	JMVQHFDRAKMWFA-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC[C@H](N[C@@H]1C=CCCC1(C)C)c1ccsc1	2006915877	YGOQUOIKOPDCDC-UONOGXRCSA-N	249.423	4.534	0	10	BJAE	
CC1([C@](C)(N)C=C2CCCCC2)CCCCC1	2007962905	DHLFWYURGGVDFJ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CSCc1ccc(CC2CC(=C3CC3)C2)cc1	2011089735	MTUMHYUJNVCPHJ-UHFFFAOYSA-N	244.403	4.593	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCCCC12CC2	2011277023	HFEGUOGPYCNDCA-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CC(C)(C)CCC[C@H]1C[C@H](O)CC2(CCC2)C1	2012058209	GLBIEYHMYKRSBT-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](CCCCCC(C)C)(CNC)C(C)C	2012420513	CBUFNUHPNKUNLW-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
Cc1cscc1C(=O)CC12CCC(CC1)CC2	2012801574	DKADBAAWASVWJS-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC(C)C)CCC1(C)C	2014849796	QIIPOFHPBZZOCM-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)CC(C(C)C)C(C)C	2015409394	QKDANAOHPOCUIU-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CN(C)CCC(CC)CC)CCC1	2015584084	CFXJVDIGNOJQLN-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCc1cccc(N[C@@H](C)CCC=C(C)C)c1	2016146664	YTXVMLCBDROIEX-AWEZNQCLSA-N	231.383	4.796	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC[C@@H]1C1CCC1	2017045721	BQSIBZYORQFFOA-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@H]2CCCCC[C@@H]2N)CCC1	2017146113	PNPNGTBTHNNAGH-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	2017431876	VUKVABWVCCZAGO-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H](C)C(C)C)CC1	2017773522	BUIGFPZNYHSLDV-WLYUNCDWSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@@H](C)CC(C)C)CC1	2019298027	RMWUOXPFFCYPGD-XHSDSOJGSA-N	239.447	4.712	0	10	BJAE	
CCC1(C)CC(CN(C)[C@@H](C)CCC(C)C)C1	2019406895	MITNTEPBHODCEB-FHERZECASA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccccc2C2CC2)C1	2021025823	CTAJUHOEPAYEHW-TZMCWYRMSA-N	229.367	4.555	0	10	BJAE	
CCCC1(CNc2ccccc2C2CC2)CC1	2021026728	CJIQFTXIOVGSFL-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2C[C@H]2CCC)CC1	2022501600	JNQUGBHHUFUBSM-LVDPKSTMSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@H]1CCCC(C)(C)C1	2024126747	YZVKFEJNJDGJFR-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC1(C)CCCCC1)[C@H]1CC12CC2	2027313529	GPYHPWQYDYWOKI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](N)[C@H](CC(C)C)C(C)C)c(C)c1	2028263739	NBXPFNXYKROJKY-IAGOWNOFSA-N	247.426	4.622	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccccc1C1(C)CC1	2028550730	YPKKTTMSEPTVOI-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCC1([C@@H](O)c2ccccc2C2CC2)CCCC1	2028558350	VYOMXDXCAQKBTA-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)[C@H]1CC1(C)C	2028896841	HADGSMDXUANEQF-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CC[C@H](CNC2CC2)C2CCC2)CC1	2029214642	GYFNXTLTAROPBU-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
Cc1cc2ncn([C@H](C)CCC(C)C)c2cc1C	2029838940	VWBDKGNHWGJFEK-CQSZACIVSA-N	244.382	4.650	0	10	BJAE	
N[C@H](CCCC1CCC1)[C@@]12CCCC[C@H]1CCC2	2031758051	JEKXOVAWSRTDRD-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1(CN[C@@]23CCCC[C@H]2CCC3)CCC1	2031805867	UFPDUISDVHSBIF-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cccc(C3(C)CC3)c2)C1	2032244729	FGECZEUPZHTDDC-CZUORRHYSA-N	243.394	4.729	0	10	BJAE	
CC(C)Cc1cccc([C@@H](O)C(C)(C)C(C)C)c1	2032267803	CLOGHCLRHMMSKI-MRXNPFEDSA-N	248.410	4.601	0	10	BJAE	
CC(C)C[C@H]1CNCCC1=CCC1CCCCC1	2032491404	TYBITNALRAZHAA-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCC[C@](N)(CC1[C@@H]2CCCC[C@@H]12)C1CCCC1	2032819510	HEQAJDMGTVIGDI-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2CC(C3CCCC3)C2)CC1	2033765569	XXHBTNYCNXLBSO-CRYBEJKASA-N	249.442	4.514	0	10	BJAE	
OC1(C2=CCCCCC2)CC(C2CCCCC2)C1	2033773523	DZOUSDQQDKLIAD-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCC1)C1(CCC)CC1	2035575848	KRLKYZUCBIVXTD-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
O=C1[C@@H]2CCCCCCCC[C@H]2C12CCCCC2	2035891465	WEJHWHBZGHUCEG-HUUCEWRRSA-N	248.410	4.886	0	10	BJAE	
CNC[C@]1(CC2(C)CCCCC2)CC12CCCC2	2036101822	VCPVKXBJSCRSOF-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1CCC2(CC1)CC(O)(C1=CCCCCC1)C2	2038941036	PVAHWKXKTHOPEH-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@H]1CC12CCCCC2	2039081357	ITISMZOOPZPBGM-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC(C2CC2)C2CC2)CC1	2039374002	JUTUQGYQXJOAIJ-SWLSCSKDSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C1=CCCC1)[C@H]1CCCC(C)(C)CC1	2039384062	GOIAOOPDHUQASV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@H](C)N[C@H](C)c2ccccc2)CC1	2040632366	DMJNUTSSDXJRQT-DGNOSDGRSA-N	245.410	4.552	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc(CC2CC2)cc1	2040728394	OACCPGGPAPCSCC-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H](C)c2ccoc2)CC1	2041500031	RPXNMUSLELJIRB-LZWOXQAQSA-N	249.398	4.679	0	10	BJAE	
CC1CC([C@H](C)N[C@H]2CCC3(CCCCC3)C2)C1	2043552794	HMQRSJPKIIKZAZ-GRAKBVBRSA-N	249.442	4.514	0	10	BJAE	
CN[C@H]([C@@H]1CCCC(C)(C)C1)[C@]1(C)CC=CCC1	2045390169	CSYSTLQHUMHNSI-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1C=CCCCC1	2045563288	IHGPZWROGXAMCP-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
CCCC1([C@H](CCC2=CCCCC2)NC)CCC1	2045719987	YLSKMYAQZWRAAH-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1C(C)=CCC[C@H]1C	2045741123	OEDANJVNYOGCFQ-BRWVUGGUSA-N	249.442	4.703	0	10	BJAE	
CC1(CNc2ccc(C3CCC3)cc2)CC=CC1	2047720306	GSXXHFHNGRINRW-UHFFFAOYSA-N	241.378	4.722	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1ccccc1CC(C)C	2051406281	QJBJZQNCBMVTGU-KRWDZBQOSA-N	245.410	4.502	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CCCCC23CCC3)CCCC1	2053410243	DPUAAZGENCDFFI-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCCC1CCC([C@H](NC)C2CC=CC2)CC1	2053663976	FYNZOUXUALPYJC-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@@H](C[C@@H]2CCC=CCCC2)C1	2055038635	JVLKCJVTIRGSAS-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@@H]1C=CCCC1(C)C	2055531293	GNJOMRKYKGSBRJ-ARFHVFGLSA-N	249.442	4.536	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1C=C(C)CCC1	2055547697	VSNIFZZFTDSQPZ-IAGOWNOFSA-N	249.442	4.824	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1ccc(CF)cc1	2055671131	FBMLJDWSACTHFF-BBRMVZONSA-N	247.357	4.560	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC1CC(C2CCC2)C1	2056650976	MBSDDJVIXFKNNX-OKEQZYBDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](O)(C=C1CCCCC1)c1ccccc1	2056862523	JTGFMYXORHPYLK-QGZVFWFLSA-N	244.378	4.565	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@@H]2C[C@H]2C2CC2)CC1	2058991990	NYOCOGJBBSPGNG-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@H]1CCCC12CCC2	2059178187	QAHGPUMRVDHFKM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C1=CC[C@@H](C)CC1)[C@H]1CCCCC1(C)C	2060922000	OSYQKXFORNGONZ-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H](N)C[C@H]2CC2(C)C)CC1	2061090037	XWPPTBQLESUCOT-ILXRZTDVSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(C(C)C)CCCCCN2)CC1	2061099518	PQRMRWUKOXXFNP-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C(CC(=O)c2cccc(F)c2)CC1	2061195182	KUZRDZJMAISIBV-GFCCVEGCSA-N	246.325	4.535	0	10	BJAE	
CCN[C@H](C1CC(=C2CCC2)C1)[C@@H](C)CC(C)C	2061735208	WCZKGCQPODPURL-GUYCJALGSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@]1(N)CCCC12CCCCC2	2062645947	IYMZOJCWFMBSMC-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063512730	ZPTJOWQSPBOQIN-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC(C(=O)C(C)(C)C3CCC3)C2)C1	2063816456	CCURPIJKUPCNFK-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@@H](N)CC12CCC(CC1)CC2	2065280210	RUZDCPABOBNQIE-LQWAEYHHSA-N	249.442	4.501	0	10	BJAE	
CCOc1cccc(N[C@H](CC)CCC(C)C)c1	2065989761	HFYPTWRWAQDSNN-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
CC(C)(C)CC1CC(N)(C[C@H]2CC23CCCC3)C1	2067985995	GQUNTKNVGAOLFZ-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NC[C@@]1(CC2CC=CC2)CCC1(C)C	2068243241	GRZQOAOAHDUPNO-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CC(C)Cc1ccc([C@@H](N)C[C@H](C)C(C)C)cc1	2069008874	PZFHLSPPWYYLMI-YOEHRIQHSA-N	247.426	4.567	0	10	BJAE	
CCCC1(C[C@H](N)c2ccccc2CC)CCC1	2069267675	FBKYVEFNRGCRIR-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CCCC1(C[C@@H](N)C2CCC3(CC2)CC3)CCC1	2069284522	JIBHNJQMVVYXGO-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@](C)(N)c2ccc(C)cc2)CCC1	2069341521	GDNFNXRAYOHWPF-MRXNPFEDSA-N	245.410	4.529	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccc2[nH]ccc2c1	2070396791	DASKYEWRVMGZPM-CYBMUJFWSA-N	242.366	4.715	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@H]2CC[C@H]3C[C@H]23)CC1	2071194975	XWNBDFOLLSAZCB-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2ccc(C)c(F)c2)CC1	2072794498	UYUKEZVAJVSFIB-HDJSIYSDSA-N	249.373	4.762	0	10	BJAE	
Cc1ccc2c(ccn2C[C@@]23CCCC[C@H]2C3)c1	2074089853	GKUSWANOEDEACS-RDJZCZTQSA-N	239.362	4.530	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)C12CCC(CC1)C2	2074643283	CWGQDTLLAQOTHW-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC(C)CN(C1CCCCC1)[C@H]1C=CCCCC1	2076589139	GIPFQEJNUQKUKG-INIZCTEOSA-N	249.442	4.776	0	10	BJAE	
CCCCN(CC1CC2(CCC2)C1)C1CCCC1	2076590111	UIURRLFQOKJQSI-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCCCc1ccc(C(=O)C(C)(C)C2CC2)o1	2077974010	WCEZXKMNMGIHCW-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1C[C@@H]1c1ccccc1	2079554418	PYHZDWDEMMOSQZ-IXDOHACOSA-N	246.394	4.512	0	10	BJAE	
CCCCc1ccc(NC[C@@H]2C[C@H]2C(C)C)cc1	2079619648	MHLZIMMWDKDKCT-RDJZCZTQSA-N	245.410	4.733	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079626522	ISEJKCDQSCCMGG-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2C[C@@H]2C2CCCCCC2)N1	2079670005	KHGTYYWSWBMBES-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C[C@@H]1C1CCCCC1)C1CCC1	2079862368	IFXOTISXVILHFT-APHBMKBZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)C[C@H](C)CCC1=C(C)C	2079871665	UZPCBMRXCOCVPD-KCYZZUKISA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2CC3(C2)CC(C)(C)C3)C1=O	2082841712	GUTSGWXPOAVFGL-TZMCWYRMSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)C[C@H](C)C(C)(C)C)c1	2082926177	RPGDIDJABOEUFD-BBRMVZONSA-N	247.426	4.684	0	10	BJAE	
C[C@H](C[C@@H]1CCCC(C)(C)C1)c1ccc(N)cc1	2082977414	ZEAYFAWNWOSQGV-KGLIPLIRSA-N	245.410	4.979	0	10	BJAE	
CC[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1CCCCC1	2084509469	BDBJEFWTXMQFKY-ACHSLPGTSA-N	249.442	4.610	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CCCCC1CC1	2211121639	IHEPHXVLUGBLKX-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@@](C)(CC)CNC1CCC1	2212589106	PWKMVODHGVWZOZ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H]1CC[C@H]1C)NCC	2214955939	PNRDLDXHVGGYQL-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1CC=C(C)CC1	2215812207	IVFYNCIWOIVXJY-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@]1(C)CC=C(C)CC1	2215822169	VUSNZGLPIGBAEB-INIZCTEOSA-N	236.399	4.908	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1c(C)cccc1C	2216049450	NDEZMFABNLNSSD-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CCCCC(F)F)CC1	2216510834	HDHNQYKMNPMWFV-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC)CNC1CCC1	2217123900	CFTAKJZEKHUEAW-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(CCCN[C@H](C)CC)CC1	2217141930	NICHTXWTTADWKH-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
C(CCCCCC1CC1)=C1CCNC2(CCC2)C1	2218729915	FOFVVCVDVLRIEP-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C1C[C@@H]2CC[C@H]2C1	2218731448	KICRGMHAQBKWBM-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)CNCC1(C2CC2)CC=CC1	2219245002	CDVLARYMMQNCQO-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H]1C)[C@@]1(C)CC=CCC1	2220549430	IYPTZKGNISXNHZ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)c1ccccc1C1CC1	2220956747	BHVVPDBIGXTPDF-OCCSQVGLSA-N	242.362	4.573	0	10	BJAE	
CC1=CC[C@](CNC(C)C)([C@H]2CCC[C@@H]2C)CC1	2221664518	TYFHBSOOGKIZII-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCCNCc1ccc(C2CCCCC2)c(C)c1	2221803402	VPTCTEJEPVGQEO-UHFFFAOYSA-N	245.410	4.542	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@H](CC(C)C)C(C)C	2221927735	JAAWJUFYUBKENM-OAHLLOKOSA-N	246.394	4.804	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)c1c(C)cccc1C	2221998025	VXNLEQKPOIVCEC-NVXWUHKLSA-N	247.426	4.766	0	10	BJAE	
N[C@H](CC1CCC1)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222935064	WUDPQVSCOLXAMF-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CCC1(C(=O)C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	2222955443	SZBOYDDWUPXSME-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CCC2CCCC2)C=CCC1	2223544900	FHHCAVCPDPQNRA-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)NCC1(CC2CCCC2)CC2(CC2)C1	2223595106	NFSBVOXFCNMBDP-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)c1cccc2ccoc12	2224177073	GDPSQPMVBRUQMR-IUODEOHRSA-N	245.366	4.505	0	10	BJAE	
CCCCCC[C@H](O)CCCC[C@@H]1C[C@@H]1C	2243047572	HWCJBPMMNRBVIJ-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)Nc1cc(C)c(C)c(C)c1	2244256992	ZVUSIDMWWXPTSH-ZDUSSCGKSA-N	219.372	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C(C)(C)C2CC2)C1	2246657707	UUXBVKAAJKYYOE-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@@H]2CC2(C)C)C1	2246663613	FYQDWUDQMYUKRB-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC[C@](O)(CC[C@H]1CCC[C@H](C)C1)C(C)(C)C	2246688437	URTLPUQFTVOKOR-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)c1cc2ccccc2s1	2246870114	HDKKBBXNYUXTQZ-AWEZNQCLSA-N	247.407	4.583	0	10	BJAE	
CCC[C@@](O)(C[C@H]1CCC12CCC2)C(C)(C)C	2247410047	ZMQQAHIZAOTSBU-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCNCCCCC[C@@H]1C[C@H]1C	2248867023	SRIXBLQYRNYORN-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1CCCC(F)(F)C1	2250357728	XMIZTCSKIHFVLA-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCCC(=O)C1CC1	2250519215	MLDTUUNWRIMVLD-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)C[C@@H]1[C@H](N)C(C)(C)CCC1(C)C	2251703955	YIVRBVNFWVIYIX-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)C1)c1ccccc1	2253778258	QDAJXSWFLIWJEM-WIHSUSGWSA-N	245.410	4.554	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@@H]1CCC(C)(C)C1)CC2	2253866267	DFMXSTAATLNAPN-CABCVRRESA-N	243.394	4.548	0	10	BJAE	
C[C@H](C1CCC1)[C@@H](N)CC[C@@H]1CCCCC12CC2	2253866441	QYYIZXUSSJUMGB-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC([C@](C)(N)C1(C)CCCCC1)C2	2254457049	ZVRYXGOLLHXPMN-XRFBTWBJSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C1(C)CCCC1	2255142415	UERHGJPQAURPDG-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCN(CC[C@@H]1CCCC12CC2)C1CCCCC1	2255260856	VCONAXVYLKGFGX-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC([C@](C)(N)CC[C@@H]2CCCC23CC3)C1	2255334101	YKOHICPLNWALQI-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@@H](N)CCCCC2CC2)cc1	2256295781	JIRRNLMLULQEGB-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCCC[C@@H](C=C1[C@H]2CCC[C@@H]1C[C@@H](N)C2)CC	2258079541	QMJKVLKHBXMRFH-JONQDZQNSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc(CC(C)C)cc1	2259434682	DPRZBERSZXTSFE-HNNXBMFYSA-N	246.394	4.894	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@]23CCC[C@H]2CC3)C1	2260673094	QTFXTYPEOIUNPU-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@]1(CNC)CCCC[C@@H]1C	2300685904	KCULGIPCSUBFHY-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc(OCC2CCCCCC2)c1C	2301146811	CKMDMCSPRXEKJB-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](NC)[C@@H](C)[C@@H](C)C(C)C	2301837910	CMUQWSZTMXCNQT-CAOSSQGBSA-N	241.463	4.575	0	10	BJAE	
CC[C@@H](Nc1cc(F)ccc1C(C)C)C1CC1	2301906813	CXUIRDZMSQQATB-CQSZACIVSA-N	235.346	4.550	0	10	BJAE	
CC(C)(C)C1(CC[C@@H]2CCCC[C@H]2N)CCC1	2302660053	FDWWIVZBBNXGLD-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CCC(C)(C)C2)C1	2302748308	MHFGGCMPOGDEAG-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)CCCC1CC1	2303512762	LQTZFHZKNRNWNB-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC[C@@H]1C[C@H]1CC)NCC	2303587663	KVLFJCQTKZQHQR-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1cccc(C(C)C)c1	2303665569	JZNGXHWKEUHOAG-DWTRPJMMSA-N	231.383	4.556	0	10	BJAE	
CCC[C@](C)(CC[C@@H]1CCC(C)(C)C1)CNC	2304428311	LPZPJWAWSZTPHG-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2CC=CCC2)C1	2304430501	BIRMOCCHTHPBFC-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(CO)C1CCCCC1	2307877433	LWKSIEUPXLIKRU-GDBMZVCRSA-N	240.431	4.782	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C[C@@H]1CCC[C@@H]2C[C@H]12	2309961017	CTNRAFRWTQPUIR-DSJMHWKBSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1C)C[C@@H]1C=CCCCC1	2311275587	CPMITNNVRSAJLB-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312915383	KOAFLWCPUFKHMP-KWJBXHGQSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc2c(C3CC3)c(CC3CC3)[nH]c12	2315508228	OVZUOCKEKHCUFK-UHFFFAOYSA-N	239.362	4.560	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@H]1C[C@H]2CCC[C@H]1CC2	2316692992	JYRWSSLXLNSHBC-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(C[C@H]2CNC3(CCCCC3)C2)CC1	2316934960	MBOHJLVNUCXDPM-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H](CC[C@H]1C[C@H]2C=C[C@H]1CCC2)NCC	2317156561	VQXBZBPTMJTKDJ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(C2CC2)c(C)n1	2318208480	WLIBPXKKHQTCFE-LBPRGKRZSA-N	246.398	4.504	0	10	BJAE	
CCCN[C@@H](C)c1ccc(CCCC(C)C)cc1	2318388914	HQSPWMNLDUIYBJ-HNNXBMFYSA-N	247.426	4.726	0	10	BJAE	
CCNC[C@@H]1CCC[C@@H]1CCCC1=CCCCC1	2318582703	GTJRFQMDOZYDDJ-IRXDYDNUSA-N	249.442	4.683	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCC(C)(C)C2)ccc1F	2319287319	UYGGCBCLFQGVEF-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2CC(=C3CCC3)C2)C1	2319298415	YUKYHIHCJFUBQS-GFCCVEGCSA-N	246.394	4.662	0	10	BJAE	
CC1=C(C)C[C@](CN)(CCC2CCCCC2)CC1	2320268114	MOWGTIVXNXDYQM-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
CC1=C(C)[C@@H](NC[C@@H]2CC[C@H]2C(C)(C)C)CCC1	2320312994	FGBZBPBQVIOWCD-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC[C@@H]2C(C)(C)C)c(F)c1	2320318704	BDMDCHBUORJHKA-STQMWFEESA-N	249.373	4.618	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C2C[C@@H]3CC[C@H]3C2)C1	2321610585	IUCPSCGGAVEYMI-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCc2ccccc2C1=O	2328153826	GCBPFJTZTXHODG-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
Clc1cccc2c(-c3ccccc3)coc12	34444841	AYYOGIVAHNUKOT-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
CCCC[C@@H](NCCC)c1ccc(CC)s1	35573488	QPSLVXMMXQSKTR-CYBMUJFWSA-N	239.428	4.541	0	10	BJAE	
CSc1ccccc1N[C@@H](C)C1CCCCC1	37279083	IIAIOYRKVZENEJ-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2ccc(N)cc2C)cc1	38069241	FOEDWQOQYWNOMQ-GFCCVEGCSA-N	239.362	4.758	0	10	BJAE	
Cc1cc(O)cc(-c2ccc3ccccc3c2)c1	65340434	NQEIEVXWKQJEQP-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)c1cccs1	71085129	NJYKLXIGSANGKQ-OLZOCXBDSA-N	239.428	4.615	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC(C)(C)C)C1	83783985	MGPXNABUWSOPFB-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)C[C@@H](C)C[C@@H](C)C1	84469840	IOVLNIKWSMFHQK-IUOOZAAYSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](c1ccc(C(C)(C)CC)cc1)C(C)C	90483560	ICYOOSXCJYWMKG-INIZCTEOSA-N	247.426	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Sc1cc(C)ccc1N	91935342	OWYAJLNGSKZFRR-OCCSQVGLSA-N	249.423	4.638	0	10	BJAE	
CSc1cccc(N[C@@H]2CCCCC2(C)C)c1	94273455	GGEIPFJRHHMJOR-CQSZACIVSA-N	249.423	4.789	0	10	BJAE	
CC(C)C(=O)c1ccc(SC2CCCC2)cc1	105918329	GQAXRFQNMGXKGG-UHFFFAOYSA-N	248.391	4.560	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)NC[C@@H]2C1CCCC1	107254020	BBZFCEIIOBZTMB-OAHLLOKOSA-N	243.394	4.683	0	10	BJAE	
CC(C)(C)C[C@@H](N[C@@H]1CC1(C)C)c1ccccc1	109942545	ZIDAXSBDXLFFMP-HUUCEWRRSA-N	245.410	4.552	0	10	BJAE	
CCN[C@@H](CC1CC1)c1ccc([C@H](C)CC)cc1	110208318	PHQSESUQKXAWGZ-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCC(CC)[C@H](C)Nc1nccc2sccc12	111670057	IKGPTFBYDPJDCO-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
CCCN[C@H](CCC(C)C)c1cc(C)cc(C)c1	112894635	HTXSWPYJTUNUKA-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](C)CC1(O)CC(C)(C)CC(C)(C)C1	124985314	CEQUNYOGLLJATD-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CCCCCN[C@H](C)c1cc2ccccc2s1	126357808	QHTDUZUDVSTVCO-GFCCVEGCSA-N	247.407	4.742	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C(C)(C)CC	133446003	RIHVGDILKAFTEG-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@@H]1CNCC	134148329	WQHFIRJWPHZUEP-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)C2CCCCC2)C1	146219190	LIYXGDVHKLFLSF-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)C1CCCCCC1	149949903	ZKAHUNKYTWLCNP-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H]1C[C@@H](C)CC[C@@H]1CNC(C)(C)C	155996682	CNZWYKHBZHTMQU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)c1	166060535	JPDPXEBYUUWGOC-BPLDGKMQSA-N	244.378	4.558	0	10	BJAE	
CC(F)(F)C1(c2ccccc2Cl)CCCC1	220825888	ZVKQONKDNRMLJU-UHFFFAOYSA-N	244.712	4.807	0	10	BJAE	
CC1(C)CCC[C@@H](NCCCC2CCCC2)C1	225028944	GNZBKARWDQFIMK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC[C@@H]2CC=CCC2)CC1	226537886	XMVJRYDJAFBCQM-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC1CCCC1)c1cc(C)cc(C)c1	229485256	XTCBGKQOGNWKRX-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCCC1CCC([C@@H](N)[C@H](C)CCC)CC1	232927532	DYSGYPADZITNRK-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC(C)(C)C[C@H]1C	234144777	HJYKEPOAUVZFCI-UKRRQHHQSA-N	245.410	4.794	0	10	BJAE	
CCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1NC	250842574	YOEYHHBPNOUCCV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1csc(-c2cc(C(C)C)ccc2C)n1	259105864	AVFXLUWFWSOTLD-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H](C)CC(C)C	301011639	YXEUOBSKLREPAI-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)C)C(C)(C)CC	302421036	UHPNGBKGIWFHLI-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)CCC1CCCC1	305940894	LJWVBVCNYVBHJM-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCOc1cc2sccc2c(Cl)c1Cl	306833316	NSXKFHNBOJKKLT-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCCCCCC(=O)[C@H](CCC)CC(C)C	308101266	FKHVIECVJIRPRN-CQSZACIVSA-N	226.404	4.988	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1N[C@H](C)CCC(C)(C)C	310295840	LUBKDPBRDWDLGO-APIJFGDWSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@@H](C)C1CCCCC1	310370258	XNHIQQMBKASDLJ-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@H]1CCC[C@H](C)C1)NCC	310526068	OUWSSIASXRNUHH-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCC[C@H](C)C2)cc1F	310775231	QEVWRYKMBWKOAV-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1C[C@@H](C)c2ccccc21	310838532	LVBXZNXNEGZVLM-QDEZUTFSSA-N	245.410	4.649	0	10	BJAE	
CCCNC[C@]1(CC=C(C)C)CC[C@H](CC)C1	318457960	QNARPBFMIFUVCX-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCCc1ccc(N[C@H](CC)[C@H]2C[C@@H]2C)cc1	322223798	XUSRVJBQBJIFTA-RRQGHBQHSA-N	245.410	4.876	0	10	BJAE	
Cc1cc(C)c(C(=O)C(C)(C)C2CCC2)c(C)c1	322647482	WZCIXYOCFCXSSP-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@H]1CC[C@H](CC)CC1	328242492	ITDSGOHXXGJGCF-XIRDDKMYSA-N	245.410	4.554	0	10	BJAE	
CCNCC/C=C(\C)CC1CCC(C)(C)CC1	379960029	KPCISVPAOILXOI-VGOFMYFVSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCC[C@@H](O)C1	383181310	UYLIOJIVDPKFRU-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@@H](N[C@@H](C)CC(C)(C)C)c1ccccc1	384945329	QZXAKFRGOASQMV-GOEBONIOSA-N	247.426	4.798	0	10	BJAE	
CC(C)C[C@@H](C)CNc1cccc2ccsc12	386216725	ISLWOAVITOIALZ-GFCCVEGCSA-N	247.407	4.995	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)C(C)(C)CC	386411351	YBBNUPKLQWJGLR-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
Cc1cscc1N[C@@H]1CCCC12CCCC2	387117797	NWGDRLCQOQRBMS-CYBMUJFWSA-N	235.396	4.581	0	10	BJAE	
CC[C@@](O)(c1ccc(C(C)C)cc1)C1CCCC1	387603177	WNRLHMHHVIGYNY-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
Cc1cccc(C)c1CN[C@@H](C)CCC(C)(C)C	395078829	NRGRIDMNBNFLLS-HNNXBMFYSA-N	247.426	4.608	0	10	BJAE	
CCC(CC)[C@H](C)NCCCC1CCCCC1	395238763	UPEBCOSROGPUQG-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(C(F)F)c2cc(F)sc2c1	396204302	XBGSCYRNYKMBTA-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC[C@H](Nc1cccc(SC)c1)[C@H]1CC1(C)C	397620232	RQZJXHRLOIBKLI-KGLIPLIRSA-N	249.423	4.645	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@H](C)CCC2CC2)c1	398028039	IFRHHJMVGLDEAC-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CCC1)c1ccccc1	398767737	YEVGPBJGQQADEO-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](C)CNc1cccc(-c2ccccc2)c1	689639887	LUGDHHKJGPWMDP-CQSZACIVSA-N	239.362	4.812	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)CC1CCCCC1	689720746	TTYZDZZUBDQADV-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cccc(N)c2F)cc1	690174600	RSOWANZGXAQRCL-LLVKDONJSA-N	243.325	4.588	0	10	BJAE	
CCC[C@@H](C)Nc1cccc(SC(F)F)c1	690179805	LKLBDIWVNIUKMF-SECBINFHSA-N	245.338	4.602	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@]12CCC[C@@H]1C2	693150678	PYEZHGLZZFWGGR-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCCC[C@H]1C1CC1	696104306	LFYYDJLAFGVXFG-GJZGRUSLSA-N	247.357	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)CCC1CCCC1	696632152	IEYMKLSQOUNJTP-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CCNc1cc(C)ccc1Cl	696752648	RZTWDFYVPKUTIP-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CCCCCC[C@@H](CNCC)C1CCCCC1	696853203	GOOQYKKNHVSJAP-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCN[C@@H]([C@H]1CCCC1(C)C)C(C)(CC)CC	701253326	PGPFOHSBMSLRDC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C1CC(C)(C)C1	701461945	XTHYWJGEOCXJIG-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@]1(N)C(C)(C)[C@H]2CC[C@@]1(C)C2	704459340	LCMXLBDIKZLTFF-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(N)CCC(C)(C)C	704460341	NVINCIPUFJOBTL-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)C[C@@H](C)c1ccccc1	704750189	FIZMFVDVMWQUHW-YCPHGPKFSA-N	248.410	4.613	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](CCC=C(C)C)NC)C1	704894058	RRBPAJSKLQYILQ-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](N)(CC)C1CCCC1	704916278	VRQGOWZIVSRPMF-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1CCC[C@@H](C)C1	704980147	SSYHPIYHOHDRKG-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
C[C@H](CNc1ccsc1Cl)CC(C)(C)C	709284387	WDDGMOHGHYZWQT-VIFPVBQESA-N	245.819	4.886	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)C[C@@H](C)C(C)(C)C	711178189	XVZIHUOAXYFDMZ-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@]1(C)CC1(C)C	713131459	QSRPGKOMPBKGAT-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)CC(C)(C)C(C)C	713172948	FVECGHCALZIOLA-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CC(C)(C)C(C)C)cc1	713181936	HMQORMZJAHXYLX-INIZCTEOSA-N	248.410	4.916	0	10	BJAE	
CC(C)NC[C@@]1(CC(C)(C)C)CCCC[C@@H]1C	713310015	DRJRDOVFZUDCQV-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CN[C@@H]2CC[C@@H]3CCCC[C@@H]32)CCC1	714268019	MCRWPDRNXYZTQR-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CCC(C)=C(C)C)C1	719176019	CCTKLFJDVBYWAV-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cscc1C(F)F	720230587	QTYMKVDFSOHBTB-KCJUWKMLSA-N	247.354	4.512	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CCC1)C(C)(CC)CC	721675477	PRDLBDWMQFYJRP-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C1CCC(CCN[C@H](C2CCCC2)C2CC2)CC1	723962154	ZTONBAGCBYLOBN-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CN[C@@H](C)C1CCCCC1	1182469256	AMANWRBLDJJHCE-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CCc1cccc(C2CCC2)c1	1900822397	FOLDZPIGDXXOON-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CC(=CCCC(=O)C(C)C)CCCC(C)C	1900866586	KTRXZYPGJXBRMI-UHFFFAOYSA-N	224.388	4.764	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1sc(C)cc1C	1905447019	QXOJXXDEJUUHAX-LBPRGKRZSA-N	238.396	4.764	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1C[C@H]1C1CCCC1	1910746899	DMYVSDXDHWVHBW-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1Cn1ccc2cccc(Cl)c21	1910799651	KJKZIQSYLRLSSQ-STQMWFEESA-N	247.769	4.587	0	10	BJAE	
CC(F)(F)CC[C@H]1CCCCCCCC[C@H]1O	1913405603	UMSTXAANZHVFJI-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@@](C)(N)c1ccc(C2CC2)cc1	1920186345	GPVJKMYSUCQRFN-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
CCCc1ccc([C@@](N)(CC)C[C@@H](C)CC)cc1	1920196323	ICYMHNCRLMLCCV-WMLDXEAASA-N	247.426	4.639	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@@H](C)C1CCCCC1	1924074839	IBMZZUBMWOHDII-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)[C@@H](C)C1CCCC1	1924099021	PPCBLYXETOBWBS-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)CCCC(C)(C)C	1924129305	DHNVAZIPEQKJBC-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)C[C@H]1CC1(C)C	1925757620	OBZADKOCBGQFLM-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)CNCC1(C[C@H]2C=CCCCC2)CCC1	1925762236	ZNGNWNUBHZRXHX-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCCC1)C1(C(C)C)CC1	1925769652	KMLOGTKPLXABNM-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC1(C(=O)C[C@@H]2C=CCCCC2)CCCCC1	1925808016	TUFBBDNDGKQCQQ-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC(C)(CNC[C@@H]1C=CCCCC1)C1CCCC1	1925945919	OWILFNNUFWFZHS-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCC1([C@@H](N)CC2(C)CCCCC2)CCCC1	1940407427	IRHMJSBYLVAVNU-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)CC(CC)CC	1940855628	HYSJLENLHNPULO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@H](CC[C@H]1CC1(C)C)NCC	1940856521	OQBHCJRNWVAGAL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(N)(CCC[C@H]2CC2(C)C)CC1	1940881941	NVQLBUAVILTOON-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](O)CCCC(C)(C)C	1941242778	GLHFJQWLOPUFSE-GJZGRUSLSA-N	242.447	4.882	0	10	BJAE	
CCN[C@@H](CC(C)(C)C(C)C)[C@@H](CC)C(C)C	1941267655	VINYYBKQQRYKOL-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCc1ccc(OCCCCCC2CC2)cc1	1941592968	ZDOUFNKTICNZFS-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CC(C)CCCCCC1(O)CC(C2CCC2)C1	1942146100	PPNGNPSWJFAUEJ-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@H]1CCC(C)(C)C1	1945599399	PKSZJQYXTBSONG-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC1(N)CC(C2CCCCC2)C1	1945948529	YCFOAUGPMOSHFP-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCc1occ(C)c1C(=O)CCC(C)(C)CC	1947519321	WRSHJQOWTBRTMC-UHFFFAOYSA-N	236.355	4.550	0	10	BJAE	
C[C@H]1CCC[C@@H](C[C@H](N)C2CCCCCC2)C1	1948921586	YPHKZIRLRIEXJB-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCC(F)(F)CC)C(C)(C)C	1949824957	HFZQMBKAWXRWHO-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
Cc1ccc(N(C)C[C@@H]2CCC(C)(C)C2)c(C)c1	1963052154	BANOYEXOQQTPFZ-OAHLLOKOSA-N	245.410	4.566	0	10	BJAE	
Cc1ccccc1[C@@H](C)NCCCCCC1CC1	1966223422	ISONNQFODVCFKE-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCC[C@H]2C2CC2)CC1	1967851031	KNXRWYHQJUEWRA-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(NCC2C[C@@H](C)C[C@H](C)C2)c1	1968229157	CSOYGJGXZFYKBY-KBPBESRZSA-N	245.410	4.788	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)C1CC2(CCC2)C1	1968860315	XRBFUXZJAQLOAS-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](NC1CC2(CCCC2)C1)[C@@H]1CC1(C)C	1972924692	NTDMLGOWLSSCIS-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C(=O)C[C@H](C)CC(C)C)c(C)s1	1978417242	SVUOOIVUVRKWGW-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
CCC(C)(C)CC[C@@H](CCCC(C)C)NC	1978503174	YYPMCTKWQOWXQV-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCCC(C)(CCCC)CNCC(C)C	1978650332	ZZEBJAUGBMTHIY-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(CF)cc1	1982839189	KRAHWPVCTSTKDT-GFCCVEGCSA-N	223.335	4.537	0	10	BJAE	
C/C=C/CCCC[C@H](O)c1ccc(Cl)cc1	1984605411	BHHYLFVWYLLLJH-HSWBROFVSA-N	238.758	4.510	0	10	BJAE	
CCC(C)(CC)C(=O)CC(C(C)C)C(C)C	1988304014	ZYQFFJZDVJNDRT-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CCCN[C@H](CCC)CC1(CCC)CCC1	1988461573	KYKDACFYBCWZDF-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H]1CC[C@H](C)CC1	1989770911	TWJRZLBCGKMFQU-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC1(CCC)CC1	1990645338	SIMKNLFULVQUSR-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@](O)(CC)C[C@H]1CCCC(C)(C)C1	1994034162	OULIULHKOQVHJC-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1CCCC1	1995213880	HNRGHAZKGSBCGE-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC(CC)CC	1995215279	UESCWJJLOGEECF-CYBMUJFWSA-N	226.404	4.988	0	10	BJAE	
CCCNCC(CC)(CC)C[C@@H]1CC[C@H](C)C1	1996273116	YFIQDUGQDUQXKM-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCCCCN[C@H](C)C1CCC(C)(C)CC1	1996551412	CNOMRZSIRURGCM-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)CNCC1(C)CCCCCC1	1996616074	KCSKHHWCNFCKSP-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCCC(C)(C)CC1	1996618136	YAMCRZPPCYLKST-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CCC(C)(C)C)CC1	1997114372	DWPWJGSOJGEIKP-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CCC[C@@H](C)CC1	1997118483	XWSYDLGSFMQWGM-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)CCC=C(C)C)CC1	1997209323	VVPBHXBVTIHTON-CVEARBPZSA-N	237.431	4.633	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@]1(C)CC=CCC1	1997606976	QSGUGGSCHXSHRZ-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H]1[C@@H](C)[C@H]1C	1998456442	BYZCLHQGECVUEZ-FOLVSLTJSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCCCCC1(F)F	2000758284	UTBNKYPTNKVHDA-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CC(C)CCC[C@H](C)NC[C@@]1(C)CC=CCC1	2001693308	GJRGRSXFJXDIEC-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC(=O)CC1[C@@H]2CCCCC[C@@H]12	2002221702	RRQILVAXQZSDDC-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@]1(CN)CCCC(C)(C)C1)C(C)(C)C	2002983895	NGFXNOQHWTVWJF-XJKSGUPXSA-N	239.447	4.604	0	10	BJAE	
CCN[C@H]1CCCCCC[C@H]1CCCC(C)C	2003100289	QQSYBARXIFRMLK-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@H]1CCCC2(CC2)C1	2003191635	PODTWAOWIOAAPA-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
Cc1cscc1C(=O)C[C@H]1CCCC2(CC2)C1	2003286444	DJERSTLOXCIYSL-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
O=C(CC[C@H]1[C@H]2CCCCC[C@H]21)c1cccs1	2003682445	XGBHTKUTUUOKKI-CLLJXQQHSA-N	248.391	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1(C)CCCCC1	2004232771	HFQZZAWVSDMROG-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1CCCCC12CC2	2005563509	KWCAEVLOQXEJRA-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@@H](CCC(C)=C(C)C)C1	2006625572	YEXSGNLBXSAFRG-FVQBIDKESA-N	237.431	4.537	0	10	BJAE	
CCCCCC(C)(C)CNCC1CC(CC)C1	2007805875	CHNLQXCYOCUUCG-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
O=C(CC=C1CCCCC1)c1cccc(Cl)c1	2007991518	XOPKNAUYSRHPNX-UHFFFAOYSA-N	248.753	4.803	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H]1CCC(C)(C)CCC1=O	2009403335	BDKGSMXHJJOUOZ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)CC[C@@H]1N)C(C)(C)C	2009412308	WYVZZORYUJSURS-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCC2(C)CC2)CC1	2009611651	ZNXPRXKUVKRLRH-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCCCC1CC(N[C@H](C)C[C@H](C)CC)C1	2009718040	RWJVSMYOKAHXMA-WXLSXGNJSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)C1=CC[C@@H](C)CC1	2010622636	LXWDDAUMHOMLIE-IJEWVQPXSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010728131	CIZUHXPHSIEWPJ-HUUCEWRRSA-N	237.431	4.523	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC[C@]12CCC[C@H]1C2	2011012792	ZIESDDLLAUKQIH-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCCF)C(CC)(CC)CC	2011185677	AMUOZPWNQAETSB-CQSZACIVSA-N	245.426	4.711	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	2013263350	GXWZEQJZFBBSGE-XUWVNRHRSA-N	239.447	4.616	0	10	BJAE	
CC1CCC(C[C@](C)(O)C2(C)CCCC2)CC1	2014327368	XVDIUQAVIFHNPZ-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1csc2ccccc12	2015383588	NDLCXXDFKJTUDK-NSHDSACASA-N	246.375	4.766	0	10	BJAE	
CC(C)C(CC[C@H]1CCCCC(=O)C1)C(C)C	2015390170	IBGPBVJCBYHDTJ-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
CC[C@@](C)(CNC(C)C)CC(C(C)C)C(C)C	2015411934	JMTVMDIIGARTRB-MRXNPFEDSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)CC(C(C)C)C(C)C	2015413300	UISSVERZWKMGKR-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC(C)CC1(C(=O)C[C@]2(C)C[C@@H]2C)CCCC1	2016442462	NQWGUFQLCHBDKT-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@@H](N)C1(C(C)(C)C)CCC1)C(C)(C)C	2017131762	UUIZULNWEWTVAA-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2(C(C)C)CCC2)C1	2017140381	GNVQTTCEIRDEHM-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1(C[C@@](C)(N)C2CCCCC2)CCC1	2017143823	RAYZMJKNPDBEBA-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@H](N)C2CCCCC2)CC1	2017735315	UWHXOMCDLRAGPL-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)CC1(CC)CC1	2018973637	IQOHFIQTZBTDPN-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@](C)(CC)CNC(C)(C)C)CC1	2018986015	VSPDCBYCFLDWBM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@H](C)CC(C)(C)C	2019113652	IYJRGYPTQLBGHM-KGLIPLIRSA-N	233.399	4.504	0	10	BJAE	
CCC1(C)CC(N(C)CCCCCC(C)C)C1	2019341865	FSQQDFCJNJFXAS-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)C1CC(CC(C)(C)C)C1	2019385737	PDVHVWLGKBBTFR-HESLUPGFSA-N	239.447	4.568	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H](CC(C)C)C(C)C	2022553063	CMBDCWBRIWDPAA-RBSFLKMASA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@](C)(CC=C1CCC1)CNC(C)C	2023260994	XUIRIQAAAMJEHY-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@@H]1CC(C)(C)CC	2023607847	RBZPMFRISDCHFB-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)C[C@H]1CCCC(C)(C)C1	2024094460	KCTVIBOSZHECKP-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H]2CC(C)(C)CCC2=O)C1	2024126863	YXELFJUVUUZUPX-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCN1CCC[C@H]1C1CCCCC1	2027023361	FGDGYZMCJKWTQA-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CC[C@@H](C(=O)CC(C)(C)c1ccccc1)C(C)C	2028262617	KJAINFAEWPTYTI-OAHLLOKOSA-N	246.394	4.606	0	10	BJAE	
N[C@@H](c1ccccc1C1CC1)C1CCCCCC1	2028550006	ROJBFNDHZSDVBJ-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CC[C@H]1CC[C@@H](NCC2(C3CCCCC3)CC2)C1	2029741828	JZBNSBFGOHWHAI-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC1(CNC2CC(C3CCCC3)C2)CCCC1	2033768953	VZDBTNQQAJDDFR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)[C@@]12CCCC[C@H]1CCC2	2035561457	LRZMDNCOZNSNQF-HLLBOEOZSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)C1CC(C)(C)C1	2035576491	PZBIQCMSHRZJCF-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)[C@@H]1CC12CCCCC2	2038999442	KONKIUBLQGUILN-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@H]1CC12CCCCC2	2038999450	KPWXBTZDRKGJPU-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
O[C@]1(C[C@H]2C=CCC2)CCCC2(CCCCC2)C1	2040763037	LELOSTZQIKKDMT-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(NCC23CCC(CC2)C3)c1	2041247202	JSQPOZZHRRLBRG-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CCCC3(CCC3)C2)C1	2041291486	ZLRXPDCCKWGXAG-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@]1(C)CC=CCC1	2042016629	MIIVWLBFNBIZNX-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@@]1(C)CC=CCC1	2042023706	DSWIQRUMVOTXEP-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@H]2C=CCCCC2)C1	2045556235	UXVHBRXSWLVOFI-BPUTZDHNSA-N	246.394	4.684	0	10	BJAE	
CCCN[C@@H](C1CC1)C1CC2(CCCCCC2)C1	2048128910	WTKOZHASNSOJMJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1[C@H]2CCCCC[C@H]12)c1cccc(N)c1	2048492056	QRALJGGWHPFRQP-KCXAZCMYSA-N	243.394	4.589	0	10	BJAE	
NCC[C@@H]1CCC[C@H](C[C@H]2CCCC3(CC3)C2)C1	2049854841	KUGHJSHWXBWULG-HRCADAONSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCCC2(CC2)C1)C1CCC1	2049855539	JUWRFNDIJYWUPQ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(CNC2CCCCCCCCC2)C=CCC1	2049979490	PBQTZFOSSXPICN-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc([C@H](O)C2(C)CCCCCCC2)cc1	2052477386	AKTVDBSAVQQALR-INIZCTEOSA-N	246.394	4.779	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@@H]1CCC2(CC2)C1	2053405149	VTDVQIVQQMGWRZ-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CC1(CNC[C@@H]2CCCCC23CC3)CCCCC1	2053432657	XUKRKKVKGSYTLZ-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H]2CCC[C@@H]2C(C)C)c1	2056447571	CMNJZVGWHSOLJV-HZPDHXFCSA-N	244.378	4.558	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2CC(C3CC3)C2)CC1	2056646120	RQVADARGSBIONS-VFNXUKNFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@]1(C)CC=CCC1	2056872189	APXVWGQWTPEKPT-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCN[C@@H](CC=C1CCCC1)c1ccc(C)cc1	2056877620	BFIKYQHYZIRHEY-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
C[C@H](C(=O)C1CC(C2CCC2)C1)C1CCCCC1	2057490716	JLVKOTZTCUAGTQ-JQRITLKVSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CC[C@H](C)c2ccccc21	2059223608	PLYHRESNOHZMAN-LQMLLCQLSA-N	244.378	4.518	0	10	BJAE	
C/C=C/CCC[C@H](NC)c1cc(C)c(C)cc1C	2059262225	KPWNKYDESMAUDP-LXXRFIIISA-N	245.410	4.619	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H]2CCCC(C)(C)C2)CC1	2061085159	PBMPOZSCJTZZSC-KBMXLJTQSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C1CC(=C2CCC2)C1)[C@H](C)CCC	2061733437	DTVMYSJYAPGOHF-DYVFJYSZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCN[C@H]1CCCC12CCCCC2	2062609844	XAGCTFLOEXFWQA-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCOc1ccc(C(C)(C)C)cc1	2062620648	POUFIZVJFBBIMA-KBPBESRZSA-N	246.394	4.799	0	10	BJAE	
O=C(CCC1CCCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063418276	KIXJVUWIMTXCEI-PHZGNYQRSA-N	248.410	4.742	0	10	BJAE	
O[C@]1(CCCCCC2CC2)C=CCC2(CCC2)C1	2063677831	LUKRTXAOMHIMJC-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@H](C)C1(C)CCCCC1)C1CC2(CC2)C1	2064495105	WWHSWHLIUZNDIR-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)C2CC3(CC3)C2)CC1	2064497314	JBTDYYTUDHDSEV-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@@H](C)c1ccccc1	2065990086	KEUKEORYDNVOOW-WBVHZDCISA-N	247.426	4.595	0	10	BJAE	
C[C@H](Nc1ccc(CCF)cc1)C1(C)CCCC1	2067530692	SGTNOVZEISKHAE-ZDUSSCGKSA-N	249.373	4.579	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@H]2CCC23CCC3)CCC1	2069340829	ZDFKCGCEUMHOFN-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)C1(CC2CC2)CC1	2069517187	JHOXJXQIGIPHJF-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCCNC2(CC3CCC3)CC2)CC1	2069587874	YADUBZOKUOADIN-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C(=O)C[C@@]23CCC[C@@H]2C3)CCCCCCC1	2070925718	JESJPJXGHJNVFX-PBHICJAKSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1C[C@H]1CCN[C@@H]1CCCC12CCCCC2	2071464821	HDKNMYKECUYFLY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(N[C@H]2CCC23CCCCC3)CCC1	2071871231	PPCVXWDEJRMXOX-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CC[C@H](CNC2CCC3(CCC3)CC2)CC1	2072669817	RGYPXTIRSOWVQU-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@](C)(N[C@@H]2CCC3(CCCC3)C2)C1	2073063392	GESBLAITUNMVSF-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCC1(C[C@H]2CCNC3(CCCCC3)C2)CCC1	2074131656	DDLUBZJAZSRIGD-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCC1(C[C@H](NCC)C2(CC3CC3)CC2)CC1	2074653971	SZSWXVNNKQRWTE-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](Nc1ccccc1C1CC1)C1CC(C)(C)C1	2077263826	FDHJIDNWVPYMRT-LBPRGKRZSA-N	243.394	4.801	0	10	BJAE	
CCc1cccc(CC)c1NC[C@H]1C[C@H]1C(C)C	2079619749	NAJUCMNHNQILDN-CVEARBPZSA-N	245.410	4.515	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)c1ccccc1CC	2081208220	CBHVUCBLASIFRD-GDBMZVCRSA-N	247.426	4.868	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CCCCC1CC1	2211121217	HTNUCJXIPXEVPM-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)CCCCCCC1CC1	2213534701	MJEVNGUIJGBTBM-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CN[C@H](C=C1CCCCC1)c1scc(C)c1C	2213662371	SXAVYLFFXXWKDG-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CC1CCC(CC[C@H](N)C2CCCCC2)CC1	2214781730	ZGRUURPQAHVEMJ-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCC(CC)N(CC[C@H]1C[C@@H]1CC)CC(C)C	2215360162	ABXBRBILKPUCSP-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@]1(C)CC=C(C)CC1	2215812037	HGTZTKXWDNZKIF-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](NC[C@H]1CC=C(C)CC1)c1ccsc1	2215838987	JEWCKXWWJBDBQS-ZFWWWQNUSA-N	249.423	4.535	0	10	BJAE	
CCC[C@@](C)(CCCC(C)C)CNC1CCC1	2217142634	XCIZCBPYXASVMN-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@H](C)CCC(C(C)C)C(C)C	2217147466	JTNBBCAIIJGBQG-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
NC1(C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCCCC1	2218357500	RIISEQVIZANUEW-MUJYYYPQSA-N	249.442	4.645	0	10	BJAE	
N[C@H]1CC12CCC(=CCCCCCC1CC1)CC2	2218728887	XQFIPSXPOJLZTN-BHWOMJMDSA-N	247.426	4.565	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1C[C@H]1C1CCC1	2218731902	NBNQRBGRLRJJHI-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C/C=C/c1ccccc1	2219085130	LIMFBXBTPFCNNK-KXKDPZRNSA-N	244.378	4.731	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2C[C@@H]3CCC[C@H]3C2)C1	2221083929	OFLUVCSEGLYSRR-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2CCC3(CC2)CC3)C1	2221091288	VNXBGCGBNWRUCZ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CCN[C@@H]1C1CC1	2223132870	OZQWKNLSRTXQMB-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)[C@]1(CNC2CCC2)CC12CCCC2	2223546576	BVSKBGJMPGMVST-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@@H](C)c1ccc(C)cc1	2223963072	DATXSZGWGDFLQJ-UKPHBRMFSA-N	247.426	4.513	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1csc(C)c1C	2242644053	LYXWHNDFKXJURV-CQSZACIVSA-N	240.412	4.615	0	10	BJAE	
Cc1c(Cl)ccc(CC2=CCCCC2)c1F	2243237011	JKORFORIDPUNNF-UHFFFAOYSA-N	238.733	4.830	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC[C@@H]1CCC[C@H](C)C1	2246666957	WVSFUPVTUOSLPF-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)[C@H](CCCC[C@@H]1C[C@H]1C)NC	2247130474	VMTBNFCXJNRWTH-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)CCC1CCCC1	2247131022	ZLBXPRFMSZUSOJ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCCCN(CCCC[C@H]1C[C@H]1C)C(C)C	2247161029	YEZGNULDVAWADC-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@@H]1CCCC1(C)C	2247170272	GTRLJPIIQBDBGF-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@@H](O)C[C@H]1CCC1(C)C)C(C)(C)C	2247418753	VQZNFCWIDSXGAN-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)c1csc(C2CC2)c1	2248070585	TZPJCPLENQYJFW-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
Cc1cc([C@H](N)CC(C)(C)C)cc2ccsc12	2248580521	ZEOQSALEEOODLJ-CYBMUJFWSA-N	247.407	4.646	0	10	BJAE	
Cc1cc(N[C@@H](C)c2ccc(F)cc2C)cs1	2248962444	NBESMFFDYXHXGB-NSHDSACASA-N	249.354	4.677	0	10	BJAE	
CC1(C)CC(Nc2cccc(C(C)(C)C)c2)C1	2249235285	QPNGNJGLMWTWCL-UHFFFAOYSA-N	231.383	4.585	0	10	BJAE	
C[C@@H]1N[C@@H](CCCCCCC2CC2)CC[C@H]1C	2250225922	HFKVQFVBCPXWEF-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)[C@H](C=C1CCCCC1)NCC	2250367949	BMKGKIFJVFCHMM-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](CC)CNc1c(F)ccc(C)c1F	2250393568	YPTSMONVDLXSNU-LLVKDONJSA-N	241.325	4.511	0	10	BJAE	
CCC1(C(=O)CC[C@H](C)CCCC(C)C)CC1	2250468176	BGCJPDLOBFTFRL-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CC1=C[C@H](O)[C@H](CC[C@@H](C)CCCC(C)C)C1	2250479201	QXUUVSUBSJADID-IMJJTQAJSA-N	238.415	4.556	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)CC[C@H](C)CCCC(C)C	2250482054	QZHHGBPTGNBVCT-ILXRZTDVSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@]12CCCC[C@@H]1CC2	2251196741	POVWHNYOXJURQF-LZWOXQAQSA-N	236.399	4.742	0	10	BJAE	
CC=C(C)[C@@H](C[C@@H]1CCCCC12CC2)NCCC	2253791326	HJLLWADLMRRKFA-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCCC[C@@H]2C[C@H]2C)c1	2254586036	NWRLYAOPBILMLE-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@H]1CCNC2(CCCCC2)C1	2254968927	ORVMQYHIJUNHQB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1CNC1(C2CCCCC2)CCC1	2254976165	LFVCZLNDDMNMHX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H](N(C)CC2=CCCCC2)CC(C)(C)C1	2255059699	XVEPSYHKZRFBAR-GDBMZVCRSA-N	249.442	4.633	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@H]2C=CCCC2)c1	2257879836	OJGQYCHNBOTZEV-AWEZNQCLSA-N	243.394	4.752	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@@H](F)C2CCC2)c1	2257908015	UQESKKCKHJLEIQ-OAHLLOKOSA-N	249.373	4.534	0	10	BJAE	
C1=CCCC(Nc2cccc(C3CCC3)c2)CC1	2257924213	WQRQFOHFVYQWTM-UHFFFAOYSA-N	241.378	4.865	0	10	BJAE	
C[C@@H](C=C1[C@H]2CCC[C@H]1CC(N)C2)CC(C)(C)C	2258072734	YCOYLAWCMHCAOC-LOKSQKBWSA-N	249.442	4.523	0	10	BJAE	
CCCC1(C[C@H](N)C2CC3(CC(C)C3)C2)CCC1	2259513716	CSQRWIUQADDMRB-LETWWHAPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@]23CCCC[C@H]2CC3)C1	2260518542	FPWZMERFQUXJPG-CLBVLKOUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)Cc2ccc(C[C@H]3C=CCCC3)cc2C1	2261332780	SHGJRCVNCAINPS-AWEZNQCLSA-N	240.390	4.710	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](C)CCCC(C)C)[C@@H]1C	2298841653	JKIOLJJYNAHWAD-JJXSEGSLSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCC[C@](C)(O)[C@@H]1CC[C@H](C)[C@@H](C)C1	2300472581	RHFVGLREXNRQFA-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CCCCCC1CC(O)(CCC(CC)CC)C1	2300677714	CKZLADPCYNSCIX-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCCC1([C@H](CCC(CC)CC)NC)CCC1	2300678568	LMEPDMQTMONXER-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1CCCC[C@H]1CC	2300683315	IEPUFEPDEJPCNK-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@H](N)C[C@H](C)CC(C)(C)C	2300683681	MFIROMAXCYUOCW-ZFWWWQNUSA-N	241.463	4.993	0	10	BJAE	
CC(=CC[C@@H]1CC[C@@H](N)[C@@H]1C)CCCC(C)C	2300881283	RKZULVMCXRPNDW-BZUAXINKSA-N	237.431	4.523	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H](C)[C@H](C)C(C)C	2301867611	SRVKYKHLRQJIOI-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CCC1(CC)CCN([C@@H](C)[C@H](C)C(C)C)CC1	2301966167	AFWGGANBFMITLN-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCC(CC)CC[C@H](CCC[C@H]1C[C@H]1C)NC	2302608143	HIHPGQALTRIOQO-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)c2csc(C)c2)CC1	2303455274	CSUPCMQASQNENR-UKRRQHHQSA-N	249.423	4.596	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H](CC1CC1)C1CC1	2303841554	TTYMDKGDIYCHAX-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
Cc1ccccc1NCC[C@H]1CCC(C)(C)C1	2304419393	AMBUOQBBXFCIGE-CQSZACIVSA-N	231.383	4.623	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@@]1(C)C=CCCC1	2307892576	FIUYNDAIJFXHKZ-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cc(C)ccc1C	2307909200	SLBIBXZIUXEPHH-GOEBONIOSA-N	233.399	4.520	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)CC(C)(C)F	2307911332	USDVUDQSSPVAQT-ZIAGYGMSSA-N	245.426	4.709	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1C[C@@H]2CCC[C@@H]21	2308385490	IIIYTVLVGZGDLL-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C=C(C)C)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309181859	HMZVRFHRJFLMOK-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@H]2C2CCC2)CCCCCC1	2311472769	QAOAKWFUAJEHQC-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@]23CCCC[C@@H]2CC3)C1	2313347253	PXRZLTWXBAPYIR-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@](N)(C[C@@]23CCCC[C@@H]2CC3)C1	2313353347	MKCQHLSVZYAVBK-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CC1)N1CCC[C@H]1C1CCCCCC1	2313605213	WSKSXMUNNYLEGY-PBHICJAKSA-N	249.442	4.610	0	10	BJAE	
CCc1cc(C(=O)[C@@H]2CCCC[C@@H]2C)ccc1C	2314698587	AILMHKFLCGYLMW-XJKSGUPXSA-N	244.378	4.566	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@H]2CC[C@@H]21	2315887357	MLNFBKDSHNKYOC-VNQPRFMTSA-N	243.394	4.719	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@]1(C)CC=CCC1	2316887202	VQBHALGZUZZCPN-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](N)[C@@H](CCCC2=CCCCC2)CC1	2318537044	DBULJZKRAAEVLK-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@H]1CC12CCCC2	2318537724	GMWZSXJYKBIHKQ-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@@H]1CCCC2(CC2)C1	2318938321	IVGIKZGZVDQFJK-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC[C@H]2C[C@@H]21)C1CCCC1	2319353350	DSQPEOQDDKQWHQ-LUKYLMHMSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@@H]1CC[C@@H]1C1CC1	2319547221	ZIASFVZWOFKIRI-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC[C@H]1CC[C@H]1C1CC1)C1CCCCC1	2319747601	GNGYHWRSVDWEAC-IAOVAPTHSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(NC[C@H]2CC[C@H]2C(C)(C)C)CC1	2320245943	FIIFDPRCXLRNHR-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC(=O)[C@@]1(C)CC=CCC1	2320258138	KFUTVXOHEWRSNB-ZQIUZPCESA-N	248.410	4.764	0	10	BJAE	
CN[C@@H](CCC1CCC1)C[C@@H]1CCC(C)=C(C)C1	2320386913	BKOKWXDBJOVTGF-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@]2(C)C=CCCC2)CC1	2320414436	RUFBSPICJABIKD-NVXWUHKLSA-N	246.394	4.829	0	10	BJAE	
C=C=CCC[C@@H](NCC)c1cccc(C(C)C)c1	2320526881	FRBCASCSTJCIFZ-QGZVFWFLSA-N	243.394	4.582	0	10	BJAE	
CCC(C)(C)C(=O)Cc1cccc(C2CCC2)c1	2320667878	WOEYPKSEEOFWKS-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCC(C)(C)C2)c(F)c1	2321527668	HFQJTJZXVVPAEU-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
CC1=CC[C@@](C)(NCC[C@H]2CCC(C)(C)C2)CC1	2321628306	QONWMAYSZUWADN-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@](N)(CC[C@H]2CCC(C)(C)C2)CC1	2321638962	GLNLYDWYERWOKJ-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)C2CCCC2)c1F	2327810941	CDHFPCFRSYJYRC-GFCCVEGCSA-N	249.373	4.940	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@@H](C)c1ccccc1	21061050	XFEHHTBWGUNWSY-HNNXBMFYSA-N	247.426	4.798	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N[C@@H]1CCCC[C@@H]1C(C)(C)C	36920846	DACHQBPENIDFSJ-APIJFGDWSA-N	239.447	4.616	0	10	BJAE	
Cc1cc2nc(C3CCCCC3)oc2cc1Cl	62536174	BNKGALTURXXNOG-UHFFFAOYSA-N	249.741	4.837	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@H]1CCCc2ccccc21	63157203	JBHAVFPMEOENKI-CZUORRHYSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@H](CC)NCCC1CCCCC1	68986759	PDMMRTCKPMMMOI-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](N[C@@H](CC)CC1CC1)c1ccccc1	70106121	ZJJCYHWZMIZSOY-DLBZAZTESA-N	245.410	4.696	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)cc1	85030573	PTKNMQBHMQPCHC-WOSRLPQWSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@H](NC(C)C)c1ccc(C)c(C)c1	93074314	CRPIZBUBEOGKRH-INIZCTEOSA-N	233.399	4.533	0	10	BJAE	
CCC(CC)(c1ccccc1)[C@H](O)CCC(C)C	111235665	BSRGJVXCLGQJAL-MRXNPFEDSA-N	248.410	4.542	0	10	BJAE	
CCCC[C@H]1CC[C@H](C)c2ccccc21	111897863	ZAPFTEJQJIGRNN-STQMWFEESA-N	202.341	4.858	0	10	BJAE	
CC1(C)CC[C@@H](Nc2ccc3ccccc3c2)C1	129321679	ZPHQBUNSQCSEQK-MRXNPFEDSA-N	239.362	4.830	0	10	BJAE	
CC[C@H](C)c1csc(C2CCC(C)CC2)n1	132222035	RHKNKEVYWFPZCN-CXQJBGSLSA-N	237.412	4.950	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)C1CCCC1	133213989	GXKWVQWFVFWFNV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCc1cccc([C@H](O)C2(CC)CCCC2)c1	159806482	XYVYBYLLQGEDAL-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@@H](C)C(C)(C)C	161070668	AZWFLDRAPHCKOY-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCCC(=O)[C@@H](c1ccccc1)[C@H](C)CC	164719992	VLBFBPAZBXQCQK-CZUORRHYSA-N	232.367	4.576	0	10	BJAE	
CCCC[C@](CC)(CCCC(C)C)CNC	166078779	GIOCHSTXDLGMPA-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCCCC[C@H](O)c1ccccc1C1CCC1	168761141	KTHSZZDQORFQTJ-KRWDZBQOSA-N	246.394	4.958	0	10	BJAE	
CCC(=O)c1ccc(C2CCC(C)CC2)cc1	205608035	JPNXGYCAUXHKSP-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCC[C@H](NCC)[C@@H]1CCC[C@H](C(C)C)CC1	212567395	WOUYIZCAEFMOEC-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
C[C@H](Sc1ccc(Cl)cn1)c1ccccc1	219732856	BIEWLUMKMLZDPK-JTQLQIEISA-N	249.766	4.588	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H]1CC[C@@H](C)C1	221670645	DTVFJEOVCJSBDM-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC(C)(C)C[C@@H]1C	225998002	QAILBJGHKIWGJH-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C[C@@H](C)CC)NC	228733246	IEXPNGDKRQANMQ-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)c(C)c1	229191919	QSMGEJOYPXGSBC-VNHYZAJKSA-N	244.378	4.558	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1ccc(C)c(Cl)c1	229272457	NDCVNMMXSXRBBQ-QMTHXVAHSA-N	240.774	4.508	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)(C)C)c1cccc(C)c1	229311229	VMNJMPYPSJFNLG-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
CCC1(CN[C@@H]2CCC[C@@H](C3CC3)C2)CCCC1	233013470	CVFFUOPFKDCCRJ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1Nc1ccc(Cl)cc1	252200935	UAHDIOSUMQONME-YABSGUDNSA-N	237.774	4.577	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1CCC12CCCCC2	299948784	ALPORBPUNKNMBG-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC(CC)CC)NCC	300921933	LIKKKBCRHGMSCZ-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@]1(CCCC(C)(C)C)CCCCCN1	302249328	BOBFXOKDBYSWFY-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
COc1ccc(N[C@H](C)CCC(C)(C)C)c(C)c1	302484166	HWNRNTDXRNQZJM-CYBMUJFWSA-N	249.398	4.630	0	10	BJAE	
CC[C@@H](NC(C(C)C)C(C)C)c1ccc(C)cc1	302572440	AFYPREXUFCQQHK-MRXNPFEDSA-N	247.426	4.716	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CCC2CCCCC2)C1	304124165	FAGRKUPCICPWML-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)c1F	305966823	JUFCJHMUYVHACV-YPMHNXCESA-N	249.373	4.761	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)C[C@@H](C)CC(C)(C)C1	306010793	WSTJVCPGRUCMPN-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)C)C(C(C)C)C(C)C	306078653	BPCQVVIXJZXDFW-GJZGRUSLSA-N	241.463	4.575	0	10	BJAE	
CSc1csc2ccc(S)c(Cl)c12	306563779	DGTLADBXVNEBEZ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CSc1csc2c(C)ccc(Cl)c12	306741935	VHMSQHVUAVLPFH-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1ccc2c(Cl)c(SC)sc2c1	307487368	CHPONPIUJWYLCV-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1c(Cl)ccc2cc(SC)sc12	307721888	XMYXARSWSSUJGT-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)C[C@H]1CCC[C@@H](C)C1	308090776	GPUHJULEPOLLFE-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](C)(CNCC(C)C)C[C@@H](C)CC(C)C	309994255	OJKHXGMYOJLTIX-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CCN[C@H](c1ccc([C@@H](C)CC)cc1)C1(C)CC1	310614988	DRACSWSUBMOCLC-XJKSGUPXSA-N	245.410	4.651	0	10	BJAE	
Cc1cc(C)c(CNC(C)(C)C(C)(C)C)cc1C	311222194	PRWSWBHNMGYTKC-UHFFFAOYSA-N	247.426	4.526	0	10	BJAE	
CC1(CN[C@H]2CCCC23CCCCC3)CCCC1	313008555	ITLOXPMDKAGXJJ-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(C)CC[C@@]1(CNC(C)(C)C)CC=CCC1	317265342	QXTLHIPKDVBQRV-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1(CNCC)CCCCCCC1	317745478	NNDUIBGTVRSJLZ-UHFFFAOYSA-N	239.447	4.907	0	10	BJAE	
CCNCC1(C[C@@H](C)CC)CCCCCCC1	317833171	AMAFNSUTBWGEPB-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NC)[C@H](C)[C@H](C)CC	319482034	BKUIISGWKIADMV-KLHDSHLOSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC1(C)CCCC1	380759822	VYAVHQPDTGOVCV-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
Cc1cc([C@@H](C)Nc2ccccc2C)cs1	381326845	AGVQTHZVIXOBCD-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
CC1(C[C@@H](O)c2ccc(C3CC3)cc2)CCCC1	381428252	FULBZIZSYLADSR-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(N)CCCC[C@H]1C(C)(C)C	383926786	RVWNCPJCCCASEW-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](C=C(C)C)c1ccc2sccc2c1	386418038	LAUNUZYHSGEXPP-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
C/C(=C/C1(C)CCCCCC1)CNC(C)(C)C	394675563	RYJSVGSBKSSOSP-OWBHPGMISA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@H](C)c1ccccc1	395113986	DVIWOVMQAQSXGC-HOCLYGCPSA-N	248.410	4.758	0	10	BJAE	
Cc1csc2c(C)c(C(F)(F)F)ccc12	396204924	XQQVMXIWHSXEHE-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCc1cc2c(C(F)(F)F)ccc(C)c2s1	396311900	XKZNGAPGNJPDHO-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1)[C@H](C)C(C)(C)C	399213034	VQJXASYHNDPTBO-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
CCc1ccccc1NC[C@H]1CCCC[C@H]1CC	401598232	XOJWAUVJPZBQNW-GDBMZVCRSA-N	245.410	4.877	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C1CC1)C(CC)CC	405825479	QYSHUOMPAKPTDV-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCC[C@H]2C[C@@H]21	691742783	HTYHCOXSOZIKHY-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)C2CC(C)C2)cc1	691964936	YHDGLZFIIMWUDJ-DCTKJOLLSA-N	245.410	4.507	0	10	BJAE	
CCc1cccc(CC2CCCCC2)c1F	694941534	NQCJVCVFKVZMIU-UHFFFAOYSA-N	220.331	4.511	0	10	BJAE	
CCC[C@@H](NC1CCC2(CC1)CC2)C1CCCC1	695684976	WKGGPGQMWJLOTE-MRXNPFEDSA-N	249.442	4.658	0	10	BJAE	
CC(C)=CCCC(=O)CC1CCCCCC1	697830634	YHWAMEWFBQXDQL-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)C1CC(C)(C)C1	701452889	WXXMSLPYMWFJAH-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
N[C@@]1(CC2CCC2)CCCC[C@@H]1C1CCCCC1	703894064	SZWXQDRLBYAPHW-IAGOWNOFSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@](N)(CCC(C)(C)CC)C1CCCC1	704823111	QTCJPSCAFQQPID-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
C[C@H](C[C@](C)(N)CCC(C)(C)C)c1ccccc1	704867272	ZHXLESOFRSDYHN-RHSMWYFYSA-N	247.426	4.724	0	10	BJAE	
c1ccc(-c2cccc(NC[C@H]3CC34CC4)c2)cc1	707861830	SSBXBHZNMQLILY-MRXNPFEDSA-N	249.357	4.566	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC[C@H](C)C1CCCCC1	710027957	ZAMJJEOXSGHEDA-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(=O)c1cccc(C)c1)C(C)(C)C	711182240	XNHYIVWIVBBPFQ-CQSZACIVSA-N	232.367	4.640	0	10	BJAE	
Cc1cc(C)c([C@H](O)CC(C)(C)C(C)C)cc1C	713181107	DJLHDLPGLACXBN-MRXNPFEDSA-N	248.410	4.718	0	10	BJAE	
C=C/C=C/CCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714390571	NYDPZEVDBOEYCW-XJEJTNKKSA-N	246.394	4.684	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714441512	XYZZNXGAWFFCPI-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CC(C)=C(C)CC[C@]1(C(C)C)CCCCCN1	718653969	RFQCHWJPWVAFHJ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCCCC[C@H]1Nc1ccsc1	719224754	VKKZPJSTNDSZPT-GFCCVEGCSA-N	223.385	4.519	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)[C@H]1C[C@H]2CC[C@H]1C2	720350981	MYYHEQQWWNFKGV-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
Cc1sc(C)c(C(=O)[C@@H](C)C(C)(C)C)c1C	722676476	HYLJQQSOUIIXDY-SECBINFHSA-N	238.396	4.538	0	10	BJAE	
CC[C@H](C)CSC[C@H]1CCCc2ccccc21	1559386833	FGBKZXZAQHWBIR-DZGCQCFKSA-N	248.435	4.886	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CSc1cccs1	1651765110	ATWGYVZWTSMREJ-MNOVXSKESA-N	226.410	4.667	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H]1CCC(C)(C)C1	1658515408	BPPLNUCSRUIVQG-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC=C(C)CC	1900878156	MNRWYVYKWMJMTP-HUUCEWRRSA-N	226.404	4.700	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H](C)[C@@H](C)C(C)C	1901626139	OCQFEIYWMJJSRB-RYUDHWBXSA-N	239.790	4.741	0	10	BJAE	
CCc1coc2c(Cl)cc(C(F)(F)F)cc12	1901924072	RSILHHUFQCAZON-UHFFFAOYSA-N	248.631	4.667	0	10	BJAE	
Cc1sccc1OCCCCC[C@H]1C[C@H]1C	1904942823	ORIXHTJLNWGSAM-YPMHNXCESA-N	238.396	4.652	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCC(C)(C)C1	1905304804	SNWRWWHNOKBMIC-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
C=CC=CCC[C@H](N)c1cccc(C(C)(C)C)c1	1911966709	VLLOJECPKDNZLM-INIZCTEOSA-N	243.394	4.506	0	10	BJAE	
CCCC[C@@H]1CCCCCCCC[C@@H]1NC	1913391724	KKTNZNAQLVPOHC-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCC2(CCCCC2)C1	1915853737	BUAWPDRZRFOEIU-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCC2(CCCC2)C1)C(C)(C)C	1916403427	DVDBDFKIQSRKPI-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@H](C)C(C)(C)C	1920186506	OMAIQRHUGJOZST-YDHLFZDLSA-N	227.436	4.602	0	10	BJAE	
CC(C)CCC[C@H](O)[C@@H](c1ccccc1)C(C)C	1921321287	WZOMJYJLUXYVDQ-DLBZAZTESA-N	248.410	4.613	0	10	BJAE	
CC1(C)CCC[C@@](O)(CC[C@@H]2CC2(C)C)CC1	1921535646	DESLQNQWVJYJDU-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)C[C@@H]1C=CCCCC1	1925772848	RAKMJEZGWFNJIH-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](C)CCNCCCCCC(C)C	1937292192	WMISPRACXMGXBF-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCC(CC)NC1CCCCCCCCC1	1938722811	QTQOVJUSDYBEPO-UHFFFAOYSA-N	225.420	4.658	0	10	BJAE	
CC1(CCCN[C@H]2CCCCCC2(C)C)CC1	1940866585	DHWMLYCJFOHFLL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](NC)C1=CCCCCCC1	1941270625	ZRRUGFUBVMCXIR-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(=O)c1ccccc1SCC1CCCCC1	1941748993	JCZDOIOWDWIJHT-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@H](C)[C@@H](C)CC(C)C	1948332684	NQRQAJIYSPELPU-YHUYYLMFSA-N	241.463	4.717	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2CCC[C@@H](C)C2)CCC1	1948925249	ZZTIQYNIJBPVCB-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@H](N)[C@@H]2CCC[C@H](CC)C2)CCC1	1948926653	FCOHDSVXNDOEPJ-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CCCCC[C@@H]1C(C)C	1949088475	VUXRZODNMMSJDT-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
C1CCCC(CN2CCCC3(CCC3)CC2)CC1	1966376481	HAJDHEIATDBEQV-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCCC23CCC3)CC1	1967793469	HGZQKWVJWKQCDM-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)c(F)c1	1968326418	HFVWYJVRKZMQTD-BRXULGCHSA-N	249.373	4.617	0	10	BJAE	
CCCCC1CC(Nc2cc(C)ccc2F)C1	1968341099	ICLXPNXQXASBBV-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CC(C)(C)CN[C@H]1CCCC2(CCCCC2)C1	1968634447	URVKQNIKERVWEF-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CC3(CCCCC3)C2)C1	1972428469	LCIKAKNZZPRBRW-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)c1csc(C)c1	1978539240	JGZKHINQZUOLCT-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCC1CCC(C[C@@H](C)CC(C)=O)CC1	1989839469	QJPQLNGWDNONRK-GRTSSRMGSA-N	224.388	4.598	0	10	BJAE	
CC(=O)CCCC1CC(C)(C)CC(C)(C)C1	1994026993	WBTXFJQAWNCXBU-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](C(C)C)[C@@H](C)C1(C)CCCCC1	1995975821	RFPWZHBRCWRSFY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@](C)(N)C1CCC(C)(C)CC1	1996587450	XUNGYVVMINKOAQ-XEZPLFJOSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](CC[C@H]1CCC=CCCC1)C(C)(C)C	1999999373	ROMHLPZJGMECAI-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C2CCCCCC2)C1	2000053058	ZZOZNYKNWVPOEF-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C1(CCC)CCC1	2000388126	QMVSPLJYBZRLMM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@]1(C)C=CCCC1	2003320811	KDEXNENZKFTPKM-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCCC[C@H]2C)CC1	2004343028	YHBOTEZVFRLAGD-YHNBSYBMSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCC[C@H](N)C1(C2CCC2)CC1	2004536625	AIMJDSQBUMHYGP-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@@H](NC)C1(C)CCCCCCC1	2004924227	ZDMFRIDTNXLRTE-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](C[C@H](C)CC(C)(C)C)CC1	2006907353	KOBHBQJXHASWTB-CQDKDKBSSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H]1C[C@H](CCC=C(C)C)CC[C@H]1C	2006950171	WYCIJCPIRJUMJN-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)C1(C)CCC(C)(C)CC1	2007690212	AFLRLWZJDUTGTI-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](CC1CC(CC)C1)NCC	2007746795	MWBIGSKMTOPQJC-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CC1CC(CC)C1	2007763680	NEVJULIJVHPADH-SSHXOBKSSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)(C)C)C[C@@H](C)F	2007841743	AANSXUQSASTATP-UKRRQHHQSA-N	245.426	4.709	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CCC(C)(C)C	2007936909	JKUVPIOCIPTMTM-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C(CC)(CC)CC	2009536728	UBXOBBYDRRUGIU-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCCNc1ccccc1SC1CC1	2009597492	DVPKFHVCNAUBNR-NSCUHMNNSA-N	247.407	4.709	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H](CCC)C(C)C	2009615768	BSVIJRXWJRYXDS-GRLYAWNKSA-N	239.447	4.783	0	10	BJAE	
CC=CCCC[C@](CC)(CCCC)CNCC	2009618376	BARKHRYEQGQXSE-INIZCTEOSA-N	239.447	4.929	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](C)CC[C@@H]1NCCC	2009628373	NKFGXOJLRRIYDV-VTTDZUNHSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(O)(C[C@H](C)CC(C)C)C1	2009716107	NVLHUPVUBMQTGG-QQFBHYJXSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CC(C)C)C1=CC[C@@H](CC)CC1	2010716197	VSMWIDNOFFXGDZ-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1CCCC12CCC2	2013266564	IAOVNLQJXCCRPT-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(CC[C@@H](O)CCC(C)(C)C)C(C)C	2015338981	MMEYQTPYDFGITE-CQSZACIVSA-N	242.447	4.882	0	10	BJAE	
CCCCC[C@H](CCC(C(C)C)C(C)C)NC	2015343330	CXWFIYWFKFLDJI-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCC1(CCC(=O)c2ccc(C)cc2)CCC1	2015587992	BXRCMEDJJMZQIJ-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCC[C@H](C)[C@@H](CC1(C(C)C)CCC1)NCC	2017140101	CXSYBKDDEBQHCX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)C[C@]12CCCC[C@H]1C2)C(C)(C)C	2018618793	HZNJQWARJBPNSQ-DVOMOZLQSA-N	236.399	4.598	0	10	BJAE	
CCCN(C1CCCC1)[C@@H]1CCCC[C@@H]1CC	2019199799	MJCVQGUKIBIVNO-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H](CCC)C(C)C	2020975117	XPMFFZIGPWRSTL-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
c1ccc(C2CCC2)c(NC2CCCCC2)c1	2021026901	JDQFXTBOUXGPGG-UHFFFAOYSA-N	229.367	4.699	0	10	BJAE	
C[C@@H](C[C@@H]1CC(C)(C)CC1=O)C1CCCCC1	2023636802	QRTJMQQQJVUYDF-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)C[C@H]1CC(C)(C)C	2024122666	GELFDAMTASYBMU-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C=C=CCC[C@H](CC[C@@H](C)CCCC)NCC	2026057973	BGJDYYDZAGIVBA-JKSUJKDBSA-N	237.431	4.692	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC[C@H]1CC1(C)C	2026147186	UNHFTSOPTJUOBF-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@H]1C[C@@H]1C)NCC	2026165254	ZWOCJIUTJAEJAV-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@H](C)C1CCC1	2026166001	GNYCQSHRAVUBEN-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](NCCCC1(C)CC1)c1ccccc1	2027807746	KGFIIQNQQMEHQB-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCCc1ccccc1[C@H](O)CC1(CC)CCC1	2027899685	PUIRIDYSSVDGHZ-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CCCNC[C@]1(CC2CCCC2)CC=CC[C@@H]1C	2027922422	DYHWJUBDBCAQKV-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
O[C@@H](CCCC1CCC1)c1ccccc1C1CC1	2028495246	KOEXMVSVXLQLPP-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CCCC1([C@@H](O)c2ccc(C3CC3)cc2)CCC1	2028609777	GOKUCYXLTNWVRE-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@H]1CCCC2(CCCC2)C1	2034370679	KRNYSPPOJKQROH-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@H]1C[C@H]1C=CCC1	2035590310	KBHHNQQWOKEBDX-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCCC[C@H]1n1ccnc1C1CCCC1	2036777021	VHCVHLRALRSCNM-DZGCQCFKSA-N	246.398	4.682	0	10	BJAE	
C[C@H](C[C@@H]1c2ccccc2NC[C@@H]1C)C1CCC1	2037226468	NKUOLXJJKKKEHA-WWGRRREGSA-N	243.394	4.658	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1C=CCCCC1	2039039441	RIVQFWVFCHYGPV-SJORKVTESA-N	249.442	4.824	0	10	BJAE	
CC1(C)CCC[C@H](CNC[C@H]2CC=CCC2)CC1	2039379451	ZRNBPEGRCCEPCP-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(F)c1N[C@@H](C)C12CCC(CC1)C2	2039865789	SAPLYCGTCBIIPB-FUJMWEONSA-N	247.357	4.515	0	10	BJAE	
CC1(C)CC[C@H](CN[C@@H]2CCCC3(CCC3)C2)C1	2041292984	LPNZQYBKQDUVJO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
O[C@@]1(CC2CCC=CCC2)CCCC2(CCC2)C1	2041301455	XASWQGQYPMONBH-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H](C)c2ccoc2)CC1	2041502497	KAGSTRUQEIDEOR-SQWLQELKSA-N	249.398	4.535	0	10	BJAE	
CCCc1ccccc1NC1[C@H]2CCC[C@H]1CC2	2042047884	OPILCFPAFJSMIX-GJZGRUSLSA-N	243.394	4.630	0	10	BJAE	
CC[C@H]1CCCCCN1C[C@@H]1CCC=CCCC1	2045315309	SHXKYBBWTBNLRX-SJORKVTESA-N	249.442	4.778	0	10	BJAE	
CC1(C)CC(CCNC[C@H]2CCC=CCCC2)C1	2045324237	TWAFAHAOXLFSSA-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC1(CCNC[C@H]2CCC=CCCC2)CCCC1	2045332657	QPORMHMBUGDXRJ-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1c(C)oc2ccccc12	2045584354	IKPLGQSQKHLSEQ-QWRGUYRKSA-N	244.334	4.606	0	10	BJAE	
CCCC1([C@@H](NCC)c2cccc(C)c2)CCC1	2045799809	PESWKDCXURTCBY-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1(C)CCCCC1	2046484575	ZMQJRJGIVHFXDD-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2046489027	VDXUBGGGZZDVNX-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(N2CCC3(CCCCC3)CC2)CC1	2046581841	SFALTHVHNKDCDI-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2CC23CCCCC3)CCC1	2047014895	FFMWETFHKGFTTF-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCCC1CC1)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047411007	WZXLMKJFHSHJCI-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](N[C@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2048386168	XCQSMLUOQKAXGN-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
NCC1(C[C@H]2[C@H]3CCCC[C@H]32)CCCCCCC1	2048493095	HMGOUBWNPAZVCT-MUJYYYPQSA-N	249.442	4.502	0	10	BJAE	
CCC1CCC([C@@H](C)Nc2ccccc2F)CC1	2049418176	OFOGMQOEQBOLDG-IYXRBSQSSA-N	249.373	4.843	0	10	BJAE	
CN[C@H](C[C@@H]1CCCC2(CC2)C1)C1(C)CCCC1	2049862345	WBDLGKKAQYFYRZ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(CNC2C3CCCC2CCC3)CCCCC1	2050041336	HDWDYTKVBOKGID-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@@H](C)C(C)(C)C)c1ccccc1C	2050457593	DUSCVLMWAFHBBK-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@H]1CCCCC12CCC2	2053410525	FUXAALXDHWSLOZ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@H](C)C1CCCCC1	2053661544	GFQXYDNFSIATKP-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2C[C@H](C)CC(C)(C)C2)CCC1	2055544733	IVQXGKMTSFMRDJ-VBNZEHGJSA-N	249.442	4.680	0	10	BJAE	
C[C@H]1CCC=C[C@H]1NC1CCCCCCCCC1	2055567951	SLAAHLBEJMNJFW-DOTOQJQBSA-N	249.442	4.824	0	10	BJAE	
CCCc1ccccc1[C@H](N)C=C1CCCCC1	2056874320	WBCKWBIXEMUFFZ-QGZVFWFLSA-N	243.394	4.529	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@H]1CCC[C@H]1C	2056882265	IODCVOXRZCHMOY-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCCCCCN1[C@@H]1CCC2(CCCC2)C1	2057104138	XGPMUVMDGIOMPU-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
CCC1(C)CC(N[C@@H](C2CCCCC2)C2CC2)C1	2058832490	ZWWYOFXABIIXNM-CGZBRXJRSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc([C@H](N)C2=CC[C@H](C)CC2)cc1	2060914371	RFUFCZHDVVJGSP-SUMWQHHRSA-N	243.394	4.556	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CCC[C@@H](C)C1	2060923965	BEMOUHWTWFQGJS-XOSAIJSUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C2=CCC(C)(C)CC2)C1	2061116144	NHCGZPYWFBILSU-UKPHBRMFSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)CC[C@H]2CC2(C)C)CC1	2061140982	RCQUNBLMFCVEKJ-KBMXLJTQSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)C1=CCC(C)(C)CC1	2061146280	FYNSNDZENPNIDH-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@H](NCC)[C@@H]1CCC[C@H](CC)CC1	2061567095	UZBKSDYBABDRRI-BBWFWOEESA-N	249.442	4.692	0	10	BJAE	
CC(C)NC[C@H](C)[C@H](C)CC1CC(=C2CCC2)C1	2061670002	ZYTCNCXZLDOJCL-KGLIPLIRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](O)(CC1CC(=C2CC2)C1)C1CCCCC1	2061683254	VORBYKAHEBKGOA-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@](O)(CC1CC(=C2CCC2)C1)C1CCC1	2061684490	HAZBLFTVCFEAJA-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@@H]1CCC2(CC2)C1)C1CCCCC1	2062811052	CIJOQQSGCCDRHI-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C(=O)CC2C[C@@H]3CCC[C@H]3C2)CCC1	2063419622	OHHQFBZQWDAAIN-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@H](N)C2CC3(C2)CC(C)(C)C3)CCCC1	2063793614	SYTQFERBXJKYRT-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CCOc1cccc(N[C@@H](CC)CCC(C)C)c1	2065989760	HFYPTWRWAQDSNN-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
CCCC1(CN2CCCC3(CCCC3)C2)CCC1	2069285700	VNNSNLHSWKHFFE-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCC1(C[C@@H](NC)C2CC3(CCC3)C2)CCC1	2069339443	JFHWYUZBMOHHAA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CC[C@H]3C[C@@H]2C3)CC1	2069355134	ZBJAOWMYSVDCON-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H]1C1CCC1)C1CCCCC1	2071791086	RHSZUNSMRDWBAQ-IXDOHACOSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@H]2CC23CCCCC3)CCC1	2071945336	FQXBFDMMTDBMCV-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1	2072869990	XAXVBWNWTXGGBF-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C2(C3CC3)CC2)CC1	2072876038	VLDAIHJWOAILRN-HDJSIYSDSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CCNC3(CCCC3)C2)CC1	2074136038	XGYJBMXKJNPBQT-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCCCCc1ccc(C(=O)CCC2CCC2)o1	2077975645	KZLYTIVORGUYCC-UHFFFAOYSA-N	248.366	4.775	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CCC)[C@H]1CC=CCC1	2079625840	GMEHQDLTOUUCIG-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNC1(C2CCCCC2)CCC1	2079650252	JHKGAKPGQQOXCZ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1C[C@H]1C(C)C	2079810157	AJJCKABVTKQFHQ-HOTGVXAUSA-N	246.394	4.789	0	10	BJAE	
C(=C/c1ccccc1)\C[C@H]1C[C@H]2CC[C@H]1C2	2210662158	KEYTZPFQDYLKPO-ATXAQRJXSA-N	212.336	4.526	0	10	BJAE	
CCC[C@](C)(CC[C@H]1C[C@H]1CC)CNC(C)C	2215265925	MXTPYSQQNWYQGU-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(N)CCCCC2(C)C)C1	2215388924	UIEVCMIPXITKAC-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(C(=O)CC2(C)CC(C)(C)C2)CC1	2215439869	LSKWYIBUAYPSGO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
O[C@H]1CCCC[C@@H]1CCCCCCCC1CC1	2216877719	PIMVDIFZVCADMD-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)C[C@H](C)C(C)C	2217124683	JNYXUGHYKFRDCZ-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218330695	BFLRGKIJDLALTO-MWDXBVQZSA-N	249.442	4.680	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218337802	ZIWVBXFGRUWFSP-GDZNZVCISA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CC12CCCC2	2218717459	DQEDYKHWOQEWSA-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C(CCC[C@H]1CCN[C@H](C2CC2)C1)CCC1CC1	2218728324	ULVZIKIWJRAHRY-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC1CCC(C2CC2)CC1	2218896995	PFVSIZREKJHRRO-LHUBUQBQSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC(CC/C=C/c2ccccc2)C[C@H](C)O1	2219074499	SBDBRWPXUBUSEM-LZPJFDPBSA-N	244.378	4.684	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@@H]1CC[C@@H]1C	2220516532	BOCFKFZBMOPINZ-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)c1ccc(C2CC2)cc1	2220959226	KAMHNJCDUFTCRU-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	2222908955	FAPGIEJIPRLDGY-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1C=CCCC1	2223124313	YHOWLWCVXLWZFB-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
C(CCCN[C@@H]1CC[C@H]2C[C@@H]2C1)CCCC1CC1	2223167531	NGEHAGNNPOLWDA-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NCC1(CC)CC2(CC3(CCC3)C2)C1	2223591550	CMLBPBWOSBXYMS-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)Cc1ccc(C2CC2)cc1	2223642264	HFJUPFYIQNISGY-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCCCC[C@H](O)CC[C@@H]1CCC[C@H](C)C1	2242812409	JWSQRJYCZIPULX-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc(C2CC2)s1	2244776016	TWJZICRSJWDAJH-JTQLQIEISA-N	236.380	4.635	0	10	BJAE	
Cc1scc(C(=O)[C@H]2CCCC3(CC3)C2)c1C	2246370094	HGJWRGNCNUTZJB-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@H]1CCC1(C)C	2247412853	CYOWXJAJMYLUKX-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@H](C)C(C)(C)C	2247457434	ROFQJPLNTUTKOU-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](O)(CC)CC[C@@H]1CCCC12CC2	2247667609	XDYFRIZLVMHIQX-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](O)C1CCCCC1	2248806635	GMMZKPZNCGHWKC-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCSc1cccc(N)c1	2248842196	QERHHWWXEYSYNH-QWHCGFSZSA-N	249.423	4.577	0	10	BJAE	
CC(C)CC(C)(C)NCCCCC[C@H]1C[C@@H]1C	2248859787	KBTLOAXVBYKWID-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@]1(N)CC=CCC1	2250518398	SAMNXVJVSLWOBG-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)[C@@]1(C)C[C@H]1C	2250527586	JFCHGJUNAAARGQ-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CC1CC2(C1)CC(Nc1ccccc1C(C)C)C2	2254148464	MEAZDHFSWCHGKC-UHFFFAOYSA-N	243.394	4.801	0	10	BJAE	
C[C@@H](C(=O)CCCC[C@@H]1C[C@H]1C)c1ccccc1	2254606205	FELJZFUNQVFFLZ-IIAWOOMASA-N	244.378	4.576	0	10	BJAE	
CCCC1([C@@H](C[C@@H]2CCC23CCC3)NCC)CC1	2255029071	YTCVIFVKTNPXIV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CCCC12CCC2	2257249007	RHQPQAJCPSVTDU-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCCC1([C@H](C[C@@]23CCC[C@H]2CC3)NC)CCC1	2260573999	KRKQXKMDJMFPHM-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@]12CCCC[C@@H]1CC2)C1(C)CCCC1	2260583734	QIBSFNNRMZWRRY-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC([C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2260604957	ODROEODWPDLKAE-LXJVZLBISA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2c3c([nH]c12)C(C)(C)CCC3(C)C	2261371609	WFAXUDFPXCTNRS-UHFFFAOYSA-N	241.378	4.825	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](N[C@H]2C=CCCCC2)C1	2261399366	ALSNPFMAWFLBOP-LSDHHAIUSA-N	249.442	4.680	0	10	BJAE	
CC(C)CCC[C@](C)(O)[C@@H]1CC[C@H](C)[C@H](C)C1	2300472580	RHFVGLREXNRQFA-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CC(=CC[C@H](N)CCC(C)C)CCCC(C)C	2300873800	CZQJTFJHXXPYJL-MRXNPFEDSA-N	239.447	4.913	0	10	BJAE	
CCC(C)=CC[C@@](C)(O)C1CCC(C)(C)CC1	2300899175	LRYJWMDSORQWTG-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CC(=CC[C@H](N)C[C@@H]1C[C@H]1C)CCCC(C)C	2300909543	PDFVWPWXVBHPEJ-PMPSAXMXSA-N	237.431	4.523	0	10	BJAE	
CC=CCCCC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2301063782	XGDKOFWQXJHGAO-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H]1CCC[C@@H]1CC1CCCCCC1	2301148073	QGBYLBOHETXBFS-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)CCC1CCCCC1	2301701332	OESBQKIZBWKSMP-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCc1ccc2cccc(Cl)c2n1	2302229827	ZVDGWWRBDWFUSB-UHFFFAOYSA-N	247.769	4.867	0	10	BJAE	
Cc1ccsc1[C@H](N)CCCC1=CCCCC1	2302343254	SMMVRTXMTLVRLE-CQSZACIVSA-N	249.423	4.727	0	10	BJAE	
C[C@@H](C(=O)CCCC1=CCCCC1)C(C)(C)C	2302347558	RYDGYQFWMWATNG-ZDUSSCGKSA-N	236.399	4.908	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CC[C@@H]1C(C)(C)C	2303419173	ZUSSBPFNMSTUGN-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1(CN[C@H]2C[C@@H]3CCCCCC[C@@H]32)CCCC1	2309183541	MBBXXQQSHQZSSW-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@@H]1CCC[C@H]1C(C)C	2311650863	RONXMIKJTSXBQI-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@@]23CCCC[C@@H]2CC3)C1	2313322840	OWDDFXPDDDKQNG-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC1CC1)N1CCCC[C@H]1C1CCCCC1	2313601167	WVRSASLRZAPMCK-YOEHRIQHSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@@H](C)CC1CC1	2313698488	LSTFULFVEZNOMH-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC=Cc1ccccc1	2315904558	COZHXCQUVDMUON-KRWDZBQOSA-N	246.394	4.667	0	10	BJAE	
N[C@@H](CCC1CCC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316874572	LXLNTBSOEZEOHX-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@H]2C[C@H]1CC21CC1	2317037038	MGJWRBWVWBGRIX-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317210502	CFICLKFXCXIKID-RBSFLKMASA-N	248.410	4.764	0	10	BJAE	
C1=C(CCCN[C@@H]2CCCC3(CC3)C2)CCCC1	2318522663	VASDAYBSUXSPRJ-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1CCCCCCN1CCCC1=CCCCC1	2318582913	JFLBZBQNYYEWLM-MRXNPFEDSA-N	249.442	4.922	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@H]1C)C[C@H]1C=CCCCC1	2318933154	ZCSZEJQRWBLFCI-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)C[C@@H]2CCCC23CC3)C1	2319125067	ZLAHVTJAZXRORV-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)C2CC3(CCCC3)C2)C1	2319314292	RLMSJQORENIALE-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC[C@@H]1CC[C@@H]1C1CC1	2319726305	ITVYWUATEIXXED-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2320151644	PDYSCASDKWJAJP-UMPJEAMMSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H]2CC[C@H]2C(C)(C)C)c1	2320256056	PMOLOTKPAVPNPJ-GOEBONIOSA-N	246.394	4.755	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC[C@@H](C)C[C@H]2C)CC1	2320325905	AMJIRKFUAUWDDU-BASLNEPJSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@](N)(CCCCC[C@H]2C[C@H]2C)CC1	2320400749	BRHABBURYYPHIK-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@]23CCCC[C@@H]2C3)CC1	2320424880	UJBBBHGSQRAHRG-ZMSDIMECSA-N	246.394	4.662	0	10	BJAE	
CCc1cc(F)cc(N[C@H](C)C2(C)CCCC2)c1	2321087779	VMSFHQLHRKKRCC-GFCCVEGCSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H]2CCC3(CCC3)NC2)C1	2321630406	HCMISDFISQGFBA-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)c1cc(C)ccc1C(C)C	2327709212	XIJWWKFGFXVKEU-RHSMWYFYSA-N	246.394	4.516	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cc(F)cc(F)c1	20561340	SOOPCAUKDSVUOB-GXFFZTMASA-N	241.325	4.592	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H](C)c1ccc(C(C)C)cc1	37118036	CPQPRGNHCKDUAX-GJZGRUSLSA-N	247.426	4.895	0	10	BJAE	
CCCC[C@@H](C)NCCCCCCC(C)C	37239452	BKPOPNBWIHWKPQ-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](C)N[C@H](c1cccs1)C(C)C	37302519	PREPJFRPTIIWSV-JSGCOSHPSA-N	239.428	4.614	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2CCCSC2)cc1	61574561	LUDOJAGBNBCWFN-DOMZBBRYSA-N	249.423	4.508	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccc(F)cc1C	70977661	HHXVGBVITIFJEO-DOMZBBRYSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(CC)CNCC	71128102	NDONCIBWANWMJH-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
Clc1ccc(C2CCCC2)cc1Cl	75840612	JTCZLJYFQGHETO-UHFFFAOYSA-N	215.123	4.651	0	10	BJAE	
CC(C)c1ccc(OCCC(C)(C)C)cc1	85151390	NJBPJBBMIFYUNQ-UHFFFAOYSA-N	220.356	4.625	0	10	BJAE	
Cc1ccc([C@H](O)C2CCCCCCC2)c(C)c1	86581038	KDPQZJAVJXSOHM-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CCCCC[C@@H](O)c1cccc2ccsc12	88038136	ILNJRRBPBRHFPU-CYBMUJFWSA-N	234.364	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](/C=C/CCNC(C)(C)C)C1	93674174	UJJCEVWXKVSYRE-VOTDVEDPSA-N	237.431	4.537	0	10	BJAE	
CCCOc1cc(C)ccc1N[C@@H](C)[C@H](C)CC	109909791	WPVXPOZUUQJJBL-KGLIPLIRSA-N	249.398	4.630	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Sc1ccc(N)cc1C	111744549	IPRYBYYSSATOMU-IUODEOHRSA-N	249.423	4.638	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC(C)(C)C1)c1ccc(C)cc1	124979844	IWXACZDPASWVRM-HZPDHXFCSA-N	245.410	4.614	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)c1ccc(C)s1	126133143	KEDMZEVRZQFUHX-AAEUAGOBSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@@H](N)c1cc2cccc(C)c2o1	129132756	NMIRAEIJAWHVLC-CQSZACIVSA-N	245.366	4.711	0	10	BJAE	
CCCC(CCC)C(=O)CCCc1ccccc1	144890336	RIZULRBXIFNGDP-UHFFFAOYSA-N	246.394	4.795	0	10	BJAE	
CC[C@@H](C)CC[C@@H](CNC(C)C)c1ccccc1	155726763	XQJKGORPGKFSIB-WBVHZDCISA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](NCC)C1(CC(C)C)CCCC1	158237493	ICZNXYINVHELCX-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)N[C@@H](C)c1cccc(C)c1	160174244	DXUZNIWFBDMPFH-AWEZNQCLSA-N	233.399	4.614	0	10	BJAE	
CCCCCC[C@@H](O)CCC1CCCCC1	168235052	JNUCORUURXIMCP-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCC(CC)C(=O)[C@@H](c1ccccc1)[C@@H](C)CC	168652577	RATHLNIDGRPGCT-XJKSGUPXSA-N	246.394	4.822	0	10	BJAE	
CCCC[C@@H](CC)Nc1c(F)ccc(C)c1F	215023740	HYZCTPVLFATNKC-LLVKDONJSA-N	241.325	4.654	0	10	BJAE	
CSc1ccc(N[C@@H]2CC[C@H](C)C[C@@H]2C)cc1	221618579	CEVCLCOFCBNBCA-SLEUVZQESA-N	249.423	4.645	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCC[C@@H]1C	225982845	YQIOHOVEWOGTSC-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)c1cccc2ccsc12	226794411	XBNDKKTWBXZKAK-CMPLNLGQSA-N	244.359	4.520	0	10	BJAE	
CCCCCC[C@@H](N)c1cccc2ccsc12	228969255	SAGXXJZUFKOFOT-CQSZACIVSA-N	247.407	4.872	0	10	BJAE	
Cc1csc([C@H](O)CCCC(C)C)c1Cl	232561556	XMOYQHYRUINQOT-SNVBAGLBSA-N	246.803	4.570	0	10	BJAE	
CCCC[C@H](C)NC[C@@H](c1ccccc1)C(C)C	232988974	ZTSRKBBLNDFUQP-DOTOQJQBSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](CC)Nc1cccc2ccccc12	233349250	UCIUFRICZSTVKX-AWEZNQCLSA-N	227.351	4.830	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H](C)CCC(C)C	252368756	WPSZBVYMJPTQTQ-RRFJBIMHSA-N	227.436	4.616	0	10	BJAE	
Nc1ccc2c(c1)CC/C2=C\CC1CCCCC1	302295937	YLTKFAQOJZHFPC-VGOFMYFVSA-N	241.378	4.569	0	10	BJAE	
CC(C)C[C@H](C)/C=C(/CNC(C)(C)C)C(C)C	302467635	ZCYHKRTUJAAACJ-QTNMRXCUSA-N	239.447	4.639	0	10	BJAE	
CC(C)C(CN[C@H](C)CCC(C)(C)C)C(C)C	302538729	SRRXFWQGFFUVEO-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](Nc1ccc(C(C)(C)C)cc1)C1CC1	302553812	WFCPUJULFQIYMZ-INIZCTEOSA-N	245.410	4.975	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H](C)CC(C)C)C1	304173418	MGBDCGUQCZYPIB-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](C)CC(=O)C(C1CCC1)C1CCC1	304401586	BJZVSVGYBRDLQW-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1ccc(C(C)C)cc1	305950011	CQTJCBKPTDVRND-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H](C)C1CCCCC1	306049160	OYLRQZSYBYCXGX-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)C1=CCCCCCC1	308057814	DGFANYAKYRXPIZ-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)c1ccsc1Cl	308355969	MTOIRFCORQMGMQ-SECBINFHSA-N	246.803	4.507	0	10	BJAE	
CCCc1ccc(C(=O)C(C)(C)C(C)(C)C)cc1	311094873	RUERDPLNHZMCNA-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CCC[C@H](NC1CCC2(CCCC2)CC1)C1CC1	324000812	NBQALUJPDIHMIS-INIZCTEOSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)C1(CC)CC1	379746306	BVXVGBTXRXHSDA-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2(C)CCCC2)C1	380164750	VSNFJTROJPUXHG-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)[C@@H](C)CC(C)C	380867430	YBDBQUNUILRVFG-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCCC12CCCC2)C1CC1	380922107	DDRUEWZMKJKVCC-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](C)/C(C)=C\[C@H](C)C1CCCCC1	383565917	BBORONQMOBGMLV-HWPRQXRUSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(N[C@@H](C)CC(C)(C)C)c(C)c1	384802609	TTXPRLSAVZTQGL-ZDUSSCGKSA-N	219.372	4.540	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@@H]1CCC[C@@H](C)C1	385784691	XZPITBVTPJLBPC-CKEIUWERSA-N	245.410	4.636	0	10	BJAE	
CC(C)CCCCCNCC(C)(C)CC(C)C	391192406	WQHBCHNPTFOYQK-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
CCc1csc2cc(C(F)F)cc(CC)c12	396170935	YADMABZURGCYNN-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1CC[C@H]2C[C@H]2C1	403119200	MYWTYLNSROMXAB-QLFBSQMISA-N	244.378	4.625	0	10	BJAE	
CC(C)(CC[C@@]1(C2CC2)CCCCCN1)C1CC1	405947166	CTZJYLVZVRNRKD-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)c1cccc(C(C)C)c1	688968125	RXSPNXNMPZZGRU-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CC(C)(C)CCC[C@](C)(O)CC1CCCCC1	689731508	AXBSNPLCWADFKZ-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1cccc(C2CC2)c1	690075702	KNTQJONZIPPOPL-GUYCJALGSA-N	243.394	4.945	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC[C@@H]2C)cc1F	691080792	OMRXJKLEPYKOQY-WFASDCNBSA-N	235.346	4.515	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@@H]1CC2CCC1CC2	691787960	MPKMTNNCFQAOTP-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](NCC1CC(C)C1)c1ccccc1	691892820	OPJAIVZWKHKFSZ-DQPZFDDXSA-N	245.410	4.554	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H](C)C2CCC2)cc1	692694967	RECIFLJHQWBPNB-ZDUSSCGKSA-N	244.378	4.648	0	10	BJAE	
CC(C)CC[C@@H](N[C@@H]1CCC12CCCC2)C1CC1	693792250	CYHZOHIICKNLGU-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(C[C@@H](N)C2CCC3(CC2)CC3)CC1	695626134	NPDAFZXRCYUAJO-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC)CCCCC=C(C)C	697766413	GDZOBMHESBSKEJ-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CC(C)(C)CCCNc1cc(C(C)(C)C)ccn1	699633577	DBTMVSCWNKMXFX-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cccc2ccsc12	701224862	YLYYEZHOTSXPDL-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
CCC(C)(CC)C(C)(C)[C@@H]1CC[C@H](C)CC1=O	701320250	ZTJWMRJDZSFOHC-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C1(CNC2CC2)CCCCC1	704804875	HUTGCLNVXIZJDK-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(N)(C[C@@H](C)C1CCCCC1)C(C)C	704836871	VEASXNFFDOXAJJ-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CC1=CCCCC1	704893063	NMRRXDDHKICBLX-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(N)CC2CCCC2)C1	704913951	MIDXZXCFVYUDIT-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC1(COc2cccc3sccc23)CCCC1	707636149	ZUEIRVUSTBCYPF-UHFFFAOYSA-N	246.375	4.860	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)CCC[C@@H](C)CC1	709142049	IYQVOKMWGRPSNR-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](CC(=O)C[C@@H]1CC=CCC1)C(C)(C)C	711115195	ZAGBWZVNNXZKOK-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
Cc1scc(C(=O)C[C@@H](C)C(C)(C)C)c1C	711132221	XGDTZDADRDMVEI-SECBINFHSA-N	238.396	4.620	0	10	BJAE	
Cc1ccc2ccn(C[C@H](C)C(C)(C)C)c2c1	711144803	GPSQQIOAAWHHNN-ZDUSSCGKSA-N	229.367	4.632	0	10	BJAE	
Cc1cscc1N[C@H]1CC(C)(C)CC[C@@H]1C	713048715	JMRRFHQRANXXTL-JQWIXIFHSA-N	237.412	4.683	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)CC(C)(C)C(C)C	713176216	RRAAUPKQPCKZPU-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C\CCC1(CNCCC)CCC(C)CC1	713719506	ODKIGLRBWDNGJT-SREVYHEPSA-N	249.442	4.705	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C1CC(C2CC2)C1	714406048	YCECKBDNTWURCK-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714469173	YERSGKAMJRPZLY-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC2CC(C3CC3)C2)CC1	714698596	ZTEBACVOBDKDDH-CRYBEJKASA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)c1ccc(C)cc1	718513016	LHGAMXPGAGWBQR-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CC(C)=CCCc1c(C)ccc(C(C)(C)C)c1O	718628589	KJBSDPSVNBYWPH-UHFFFAOYSA-N	246.394	4.897	0	10	BJAE	
CC(C)c1c(Cl)cccc1OC(C)(C)C	829085891	JUEZMBHGWYZRAQ-UHFFFAOYSA-N	226.747	4.641	0	10	BJAE	
Fc1ccc(SCCC2CCCC2)c(F)c1	1165388873	ALJJMEBCVCNDGN-UHFFFAOYSA-N	242.334	4.637	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]2C2CCCCC2)C1	1620819828	CHBMMYFEBRXJGQ-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
C1CCC2(CC1)CCCC[C@H]2NCC1CCCC1	1875418759	JIUYMJOLWIWKEB-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCC(CC)CC[C@@](N)(CC)c1cccs1	1900710310	VBFYESYTCGQLOZ-AWEZNQCLSA-N	239.428	4.529	0	10	BJAE	
CCC(CC)c1ccc(C)c(C(F)(F)F)c1	1901883045	OCMLWPZLSISWTK-UHFFFAOYSA-N	230.273	4.917	0	10	BJAE	
CCCC(CCC)CNc1cscc1CC	1902377779	YEFQARXVOVNNGQ-UHFFFAOYSA-N	239.428	4.939	0	10	BJAE	
CCCC[C@](C)(N)CC[C@H]1CCC(C)(C)C1	1903422956	VCTQPKYHFRVMAN-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)C(=O)CC[C@@H]1C[C@H]1C1CCCCC1	1910808684	AANYFGFFZVQYSL-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@@]1(CNCC(C)C)CCC[C@@H]1C	1911885751	JXYZJXCKZFOWOZ-IRXDYDNUSA-N	249.442	4.561	0	10	BJAE	
CC=CC[C@H](C)c1ccc(CCC)cc1	1911949497	PXDUODYVMOUVBR-ZDUSSCGKSA-N	202.341	4.709	0	10	BJAE	
Cc1ccc(NC2CC3(CCCCC3)C2)c(C)c1	1912707426	DNHAZJDLFXOONA-UHFFFAOYSA-N	243.394	4.828	0	10	BJAE	
OCC=CC=C1CCCCCCCCCCC1	1914037235	TUPHWFDQDXYYBS-UHFFFAOYSA-N	236.399	4.766	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1CCC2(CCCCC2)C1	1915921497	CONFZSKXHNXGOS-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CCC2(CCCC2)C1	1916417951	QSSSCGRHYJUPFQ-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC1(C)C[C@H]1CCn1ccc2cccc(Cl)c21	1921441477	ASOISBSTYHAQSQ-GFCCVEGCSA-N	247.769	4.731	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)[C@H](C)C1CCCC1	1924114617	APSNYUVPXLFMET-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(CCC(C)C)=C1[C@@H](CN)CCCC12CCC2	1924804495	PSBGIDUXSXAJLJ-OAHLLOKOSA-N	249.442	4.668	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1CC2(CCCC2)C1	1925737137	MLCTYACZHRMHFI-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
Fc1cc(F)cc(CC[C@@H]2C=CCCCC2)c1	1925824763	OZPMOCHXYVROLB-GFCCVEGCSA-N	236.305	4.644	0	10	BJAE	
CCC(CC)C[C@H](O)CC(C)(C)c1ccccc1	1926368208	QTGOXYCCLVKZQY-INIZCTEOSA-N	248.410	4.542	0	10	BJAE	
CC[C@H]1CCCC(=C2CCC(C)(C)C[C@@H]2CN)C1	1927147776	QDQQGYXHAJREMT-DZGCQCFKSA-N	249.442	4.668	0	10	BJAE	
CCC[C@@H](C(=O)CCC1CCCC1)C(C)C	1936207430	VUDLDJCLVBNTHI-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](CCC[C@@H]1CC1(C)C)c1ccc(N)cc1	1940972472	BJAFWOCZGAPKEO-GXTWGEPZSA-N	231.383	4.589	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CCCC1(C)CC1	1941688492	WNYAQFMYVNLHHI-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)c1ccsc1	1941820152	XNVGVKGDUKDRDG-OAHLLOKOSA-N	249.423	4.535	0	10	BJAE	
CC1([C@@H](N)c2sccc2C2CC2)CCCCC1	1942506435	UMHNRZSIDFAZPB-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CC(C)CCC[C@@H](N)C(C)(C)C1CCCCC1	1944664415	BJRQZPYEGAACJV-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CCC1(CNC(C)(C)C2CCCCC2)CCC1	1945380423	UNYUBYYWZWUJFW-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CNC1(C)CCCCCC1	1945620184	LHKDLANOSHDAND-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@H]1C=CCCC1	1947589001	VNGUHQQWEUWSEC-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)CCCCCC1CC1	1948329342	ZBRMARQPCBWQEN-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1	1948597436	XQPACONUCCFYLG-JONQDZQNSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@](N)([C@@H]2CCC(C)(C)C2)CC1	1949450013	CCIGJFNNHVEBCX-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]1C[C@H](CC(C)(C)CC)CCC1(C)C	1949662239	OEIZYOXPIALMFJ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(CCCCC(=O)CC2CCCCC2)CC1	1949919586	BPNUJPOUSVTZOB-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CC12CCCCC2	1950612741	NVMUBGNXHJSVMS-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC1([C@@H](CCC2CCCCC2)NC)CCC1	1951243374	HARBALZYUVPRBG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC=CC[C@H](C)c1ccc(OCC)c(C)c1C	1951308425	GTFIAGXKVIYOLH-LBPRGKRZSA-N	232.367	4.772	0	10	BJAE	
CC(C)=CCc1cc2cccc(Cl)c2o1	1961398793	HUVVXSFSZMRGIL-UHFFFAOYSA-N	220.699	4.595	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)CCCC(C)C	1968648276	MOIKCDOGTRWPIL-GFCCVEGCSA-N	237.362	4.761	0	10	BJAE	
CCCCC1CC(Nc2ccc(C)c(CC)c2)C1	1969680404	PNEJQISSVQPHAG-UHFFFAOYSA-N	245.410	4.938	0	10	BJAE	
CCC1CCC(CN(C)CCC(C)(C)C)CC1	1969912566	DEBFVABKAWHDSD-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC[C@H](NC[C@H]1CCCCC1(C)C)c1ccco1	1970081081	BGEPEJKYTGBCLC-KGLIPLIRSA-N	249.398	4.537	0	10	BJAE	
CCCC1CCC([C@H](C)NC2CC3(CC3)C2)CC1	1972674437	GMYWZMGPVGSYJH-NFOMZHRRSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1ccc2sccc2c1	1977425942	LUYFPCHLXZPMDO-GXFFZTMASA-N	231.364	4.502	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H](C)CCC	1984634020	CIUCNQGXJAWLPM-ZRJDUIELSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C)C(=O)CC)CC1	1989836474	GDGANUMFXAWEBS-MGPQQGTHSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC[C@@H](C)C1	1990092566	BCKYWFBVYDTDPT-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@H](CC)NC1CC(CCC)C1	1990097965	KXCRJNQXAIFHNS-SLTAFYQDSA-N	225.420	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2(CN)CCCCCCC2)C1	1996262788	GTJNQNQNDYFQIY-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CCCSc1ccccc1NC[C@H]1C=CCC1	1996568201	DTODDXMTONWMRP-ZDUSSCGKSA-N	247.407	4.567	0	10	BJAE	
CCN[C@@H](CC)[C@H](CC)C1CCC(C)(C)CC1	1996595983	ZWJRSFDZFCHKGG-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)[C@@H]1CCC2(CCCC2)C1	1996611525	CPIMFWUFRDPWQT-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CCC[C@H]1CCC=CCCC1)NC	1999993204	KMTMMMQWBYTWKU-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CN[C@@H](C[C@H]1CCC=CCCC1)c1cccs1	1999993437	ZNUBZFAVWCRUFL-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
CC1(C)CCC[C@@H]([C@]2(N)CCCC(C)(C)C2)C1	2000063943	WTDVXKDDYPTANG-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@@H](C)C(C)(C)C	2000295321	GODTWTVJZNQZMZ-GZBFAFLISA-N	236.399	4.620	0	10	BJAE	
CCCC[C@@](C)(CNC)[C@H]1C=CCCCCC1	2000507763	HDQHREOFJHSKKF-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@@]1(C)CCCCC1(F)F	2002596773	UFEQHVXSZUIOPQ-WCQYABFASA-N	246.341	4.597	0	10	BJAE	
Cc1ccc(C)c2c(Cl)c3c(nc12)[C@H](C)CC3	2002853404	ODPYGXKGMOXWSJ-SECBINFHSA-N	245.753	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CCCCCC[C@H]2O)C1	2003101728	YGWIFKBCBNYCFX-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H](C2(N)CCCCCCCC2)C1	2003102990	ZVISANWWRKBTDA-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1CCCCCCC[C@@H]1O	2003118505	SANAUZQOODIWJE-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@H](O)C1(C)CCCCCC1)C1CCC1	2004924035	XHCAWQHJFLZITP-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@]1(CNC)CCCCC1(C)C	2005578974	FSKQLNMRJAABKP-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
C[C@@H]1CCC[C@H]1N(C)C1CCCCCCCC1	2006743459	PPNKTLRRDAOZQF-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CN[C@@H](CCC(C)C)C1(C)CCC(C)(C)CC1	2007695380	JHAVSTOKIHWXRV-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC1CC(C(C)C)C1)NCC	2007748634	FMMDKIUCMUPBAV-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@H](C[C@@H](C)CC(C)(C)C)NCCC	2007862845	QPLNGDZWWBDPEB-HIFRSBDPSA-N	239.447	4.783	0	10	BJAE	
CN[C@@H]1CCC(C)(C)CC[C@H]1CCC(C)(C)C	2009405603	AJYROLFMCFISBG-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)CC[C@@H]1CCC(C)(C)C	2009408584	VEHAIQRAZTWWDH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CC[C@H](C)CCC2=O)C1	2009411012	MTVNRFZKKOENHO-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@H]1CCCCCCCC[C@H]1N	2009619528	MLNTZQMIYXAOJL-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
CCCCCC1CC(NCCC(C)(C)CC)C1	2009712362	LIXSXYBKGALXAS-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
C1=C[C@@H](Cc2cnc3sccc3c2)CCCC1	2010653699	DPRSEZFNAXLUAM-GFCCVEGCSA-N	243.375	4.585	0	10	BJAE	
CCCC[C@@H](CCC12CCC(CC1)C2)NCC	2012829845	LXGYCTTYSRLPFJ-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H](C)C1(C)CCCC1	2014370100	OXULDPXLGKNITR-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC(C)C(C[C@@H](O)C[C@@H](C)C(C)(C)C)C(C)C	2015271464	ACMHIGRTACKKCX-KGLIPLIRSA-N	242.447	4.738	0	10	BJAE	
CC(C)C(CC[C@H]1CCCC[C@]1(C)O)C(C)C	2015348177	UPGJIMNPORQNAO-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@H]2CCCC[C@@H]2NCC)CCC1	2015643557	DIUYSJFGNSDMPQ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@H](O)CC1(C(C)C)CCC1	2017114729	PARNIJWRVYPKLF-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CC(C)=C(C)C[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	2017461291	IGEOHFBQMXMCSB-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
CCCCC[C@H](CC)NC1CCC2(CC1)CC2	2018138976	MYAZSFJRLYLKIL-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CCCC1(C[C@@H]2CCCCCCC[C@@H]2O)CC1	2018977748	QFQILBOQTSOUNL-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCCCN(C[C@H](C)CC(C)(C)C)C1CCC1	2020636436	BTFZPDDYBOXSDI-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@H](NCC)C1(C)CCC(C)CC1	2020973785	JEZVEVBMYJULJI-SIWZUTFBSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@@H]1CCC)C(CC)CC	2022487790	WFYJDCLRXNJLEQ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC(O)(CC)CC[C@@H]1C[C@@H]1C1CCCCC1	2022524560	ACJWGROYNQEGGW-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2C[C@@H]2CCC)C1	2022566316	VDEWIOGTCUGCMT-PYBGIAKNSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCCCC(C)(F)F)C(CC)CC	2023290868	VXDIJOOEVZJUDB-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)CCCCC(C)(F)F	2023295348	NNKDCTGAYWMNNN-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
CC(C)C1(CC(=O)CCCC(C)(F)F)CCC1	2023299572	MGMDYVVGQQYPQO-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2CCC(C)(C)CC2)C1=O	2023994153	QMGAARLESYVUSO-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)C[C@H]1CCCC(C)(C)C1	2024091288	HAWXQMLAACEEHW-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@@H]2CC3CCC2CC3)C1	2029108149	AWNOFNRAKKZCEJ-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc([C@](C)(O)[C@H](C)CCC(C)C)cc1	2029838149	RHZJUIQCZQKHIW-RHSMWYFYSA-N	248.410	4.529	0	10	BJAE	
CC(C)=C(C)CCNC[C@]12CCCC[C@@H]1CCC2	2031804404	KGSUVUVXJZPUOT-IAGOWNOFSA-N	249.442	4.683	0	10	BJAE	
CC(C)NC[C@@]1(CC2CC=CC2)CCCC1(C)C	2032103329	ISYPQYVOWHTHRS-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](c1ccc(CC)cc1)C(C)(C)C(C)C	2032345411	CPCFALBRNITHCI-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CC(C)(CCC(N)(C1CCC1)C1CCC1)C1CC1	2037162895	SELUWDUBJLBCCA-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CCCC2(C)CC2)cc1C	2037174615	MDAYVGVMPLQOHA-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1ccccc1C1CC1	2037203399	GSEVNODCGVHTDK-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)C[C@@H](C)c1ccccc1	2037210204	UFBDAPVMFDHQDI-UXLLHSPISA-N	247.426	4.580	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C[C@H]1C[C@H]2C[C@H]2C1	2038436425	IQSOTILFAFVFBJ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1CCCCCC1)[C@H]1CC12CCCCC2	2038999999	ORTXAAPNXGNFCJ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(CC(=O)CC23CCC(CC2)C3)CC1	2039419157	BVESWSVVDKBTRY-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1c(F)cccc1N[C@@H](C)C12CCC(CC1)C2	2039864858	KIZREZUYDUKGSZ-FUJMWEONSA-N	247.357	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)C2CC3(C2)CC(C)(C)C3)C1	2040149345	KTAFOGRUNPVWJZ-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC[C@@H]1CC[C@@H](C)C1)c1ccccc1	2040165191	GDEBTYLCJJETAN-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
C[C@@H](N[C@H](C)C1CCC(C)(C)CC1)c1ccco1	2040639551	VRHNUVTYFTWARR-CHWSQXEVSA-N	249.398	4.535	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1cc2cccc(C)c2o1	2040722655	ALHUTQWLMNAOMI-HNNXBMFYSA-N	245.366	4.567	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@@]2(C)CC=CCC2)cc1	2042015640	BYPSNSCNJWLYSJ-IRXDYDNUSA-N	243.394	4.556	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@@H]1C=CCCC1	2043187807	OLPVPUPQCVCILE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)(CC[C@@](C)(N)C1CC2(CCC2)C1)C1CC1	2043473324	CMCIXSFVNDINLY-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@H]1CCC12CCCCC2)C1CC(C)(C)C1	2043543032	HBRAUAIJBPRWPD-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
C1=CCC[C@H](CN2C3CCCC2CCC3)CCC1	2045304589	HBSZYUWOMSWSSM-GTPINHCMSA-N	247.426	4.530	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)c1ccccc1F	2045313190	VRRWWDHCJBICOZ-ZDUSSCGKSA-N	246.325	4.535	0	10	BJAE	
CCN[C@@H]1CC[C@H](C[C@H]2CCC=CCCC2)[C@@H]1C	2045326690	PPWOCEHHDVOVPK-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
O[C@]1(C[C@H]2CCC=CCCC2)CCCC12CCC2	2045345427	JJRJAMSOFKFBDG-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCC[C@H]1C1(N)CC2(CCCCCC2)C1	2046229859	ITJQPLLECRZEKR-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1C[C@H]1N[C@@H]1CCCCC12CCCCC2	2047586061	GVURZYCLJTYPBS-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC1CCC(CC(=O)C2[C@H]3CCCCC[C@H]23)CC1	2048370595	KEPYWVJROLVODS-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(CC1CCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2049212593	UAEDJULAKWZCCG-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
NC1(CC[C@@H]2C[C@H]2C2CC2)CCCCCCCC1	2049675037	JDNJCUDKGSBKCW-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@H]3CCC[C@H]32)CCC1	2049682614	WOMFCSANCGJCMM-DJIMGWMZSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CC2CCC3(CC2)CC3)C[C@H]1C	2049852587	CGBRTUFWWGCRNZ-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@H]2CCC3(CC3)C2)C1	2049928381	GUIAQFCWUATCBU-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CC[C@H]3CC[C@@H]32)CC1	2051588376	GLNKSPLRGOSMEF-VNQPRFMTSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCC[C@@H]3CC[C@H]32)CC1	2052289586	ZISXBENZDDMZSJ-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
O=C(CCC1CCCC1)[C@@H]1CCCCC12CCC2	2053358650	LEWUVJPKESEYNH-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1CCCCC12CC2	2053415227	GSGJSXCKEOBOOB-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCCC1CCC(CNCC)(C2CC=CC2)CC1	2053693358	DDSDNPAZUPUBAM-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C(F)(F)F)cc(Cl)c1C(F)F	2054889518	DMIZVHLWHJQOBD-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C1(CCC)CCC1	2056882914	OTJPKOSTXPMNAH-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCC1(C)CC(NC[C@H]2CCCCC23CCC3)C1	2058832877	GIGSJWVSCQBCCF-QQFBHYJXSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@H]1CC1(C)C)C1=CC[C@H](C)CC1	2060925279	JXYXKOKNPCQPOJ-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)[C@H]2CCC[C@@H](C)C2)CC1	2061087681	HNCAVDBILXTUJH-JHNDHUHGSA-N	249.442	4.523	0	10	BJAE	
CCC[C@](N)(C1=CC[C@H](C(C)(C)C)CC1)C1CC1	2061114065	VESPVXFVQRXLAK-GUYCJALGSA-N	249.442	4.667	0	10	BJAE	
CC(C)NCC1(CC[C@]23CCC[C@@H]2C3)CCCC1	2061611016	DJVRJTMRRQDAEQ-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C[C@@]12CCC[C@H]1C2	2061614143	CLLGBQJXGJPKGJ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
c1cc(CC2CC(=C3CCC3)C2)cc(C2CC2)c1	2061726258	NWVSIENFOWLKEU-UHFFFAOYSA-N	238.374	4.997	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)c1ccccc1C1CC1	2062630130	KEOKRNACEMZABD-GXTWGEPZSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)CC1CC2(C1)CC(C)(C)C2	2063209006	RJJDDTIPVGJTIA-TZMCWYRMSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(NC[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1C	2063470333	AQSBKVOMIFEMFG-MUJYYYPQSA-N	243.394	4.542	0	10	BJAE	
C[C@H]1CCC[C@](N)(C2CC3(C2)CC(C)(C)C3)CC1	2063800726	TWJNCBQSHLXBJQ-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(CCC(C)C)c1ccc(C(C)C)cc1	2065993215	QKTSMCNRNJFWAE-QGZVFWFLSA-N	247.426	4.810	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068774358	YGNRSMDRHLFRFA-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
C[C@H](Nc1cccc(C2(C)CC2)c1)C1CC=CC1	2070794347	IAXLNSWCJFLPMA-ZDUSSCGKSA-N	241.378	4.505	0	10	BJAE	
CCC1CCC(C[C@@]2(N)C=CCC(C)(C)C2)CC1	2072819080	BXAOOMBHPWIIBV-DQPZFDDXSA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(CC(=O)[C@]23C[C@H](C)[C@H]2C3)CC1	2072873921	UGGYONKJSZQIGR-MHOIOUGOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CCCC=C2C)CC1	2072876339	ZEGZWFAPGMSPRV-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CCC1(C)CCC(N)(C[C@]23CCCC[C@H]2C3)CC1	2074033934	OEMAQFPXVANKJA-ORBLRFAASA-N	249.442	4.645	0	10	BJAE	
CCNC[C@]1(CC2(CC)CC2)CCCCC12CC2	2074624950	WNNKZJQPEPBKDE-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@H]2CCCCC23CC3)CC1	2074649684	WFABJBVOHCOJPA-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@@H]1CCCC(C)(C)C1	2074809411	KCDCNOPPNVIDSW-HZPDHXFCSA-N	249.442	4.776	0	10	BJAE	
CN(CCC1CCCCC1)[C@@H]1CCCCC12CC2	2074894421	BNZWRXNTEKGPSY-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc([C@H]2CCCCN2[C@H](C)CC(C)C)o1	2075098206	NITVXDWFYNXKDA-UKRRQHHQSA-N	249.398	4.550	0	10	BJAE	
CC(C)C1CCC(CN)([C@H]2C=CCCCC2)CC1	2075372810	JUVKFDDYXHOETA-CGZBRXJRSA-N	249.442	4.524	0	10	BJAE	
CCCCN(C[C@@H]1CCCC2(CC2)C1)C1CCC1	2076743283	HUJKJYZGQARWAT-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCCN(CC1CC(=C2CCC2)C1)C1CCC1	2076757893	JJOHBZIHXMRYRP-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](O)c1ccc([C@@H](C)CC)cc1	2079393921	UFFYHQATUIKBIH-NKKGCODLSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H]1C1CCCCC1	2079529253	LIMAXZOOFSRQJE-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1cc(CC)ccc1CC	2079643485	XLVJHCOMBAWTMH-HOTGVXAUSA-N	245.410	4.660	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC1(CNC2CC2)CCCCC1	2079665834	NTKOUNUZJNUQDI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CC(=O)C[C@@H]1C[C@@H]1C1CCCCCC1	2079862645	IYZVOCMCBOGCHY-DNNBLBMLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1C[C@@H](N)c1ccc(C(C)C)cc1	2079884418	HOTSUOHOKLYZPD-YESZJQIVSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC1(N)CC2(CCC(C)CC2)C1	2079887109	TWSDNCSKQAZRGG-FVROTGDOSA-N	249.442	4.501	0	10	BJAE	
CCCCN(C[C@H]1C[C@@H]1C(C)C)c1ccccc1	2080094227	OYJJCOGUYJZWIA-NVXWUHKLSA-N	245.410	4.585	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H](C)CCC(C)C)c1	2082952676	FRKHJWCCYGLGGN-ZDUSSCGKSA-N	246.394	4.867	0	10	BJAE	
C[C@H](C(=O)c1cccc(C(C)(C)C)c1)C1CCC1	2083555690	SIXJDPJHSBIANG-LBPRGKRZSA-N	244.378	4.603	0	10	BJAE	
CCC1CC(CCN[C@@H]2CCCCC23CCC3)C1	2084917276	YEYMCIXNYWWAFX-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](O)(CCCCC1CC1)C(C)(C)C	2211122493	XFURUGNLRFFVSL-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CCCC[C@H](N)C1CCCCC1	2211240798	WMVDXXNTHARTPA-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CC)CCCC(C)C	2212597961	RPVCHRSRYFPOQD-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](O)CCC1CCCCC1	2215251861	OMRYXLLKKHVPLN-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1c(C)cccc1C	2216046107	LQXBDBZYYMYRBC-GOEBONIOSA-N	234.383	4.553	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(CCC2CCC2)C1	2216258419	PPWGUEWNPBBMEJ-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CC(=O)CCCCCCCC1CC1	2216860635	BROJFNSVGVCNNM-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C)NC[C@H](C)CC1CCC(C)(C)CC1	2217145623	RICGPKZXJSCPIJ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](CN[C@@H](C)CC)C(C)(C)C	2217159946	UBXOEJDCAGHMKF-DZGCQCFKSA-N	241.463	4.863	0	10	BJAE	
C(CCCC1CC1)CCNC1C[C@H]2CC[C@H](C1)C2	2218735242	MSTUKQRDPLSBMP-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCNCC(CC)(CC)C/C=C/c1ccccc1	2219092680	FZHPERWQZRLDTQ-JLHYYAGUSA-N	245.410	4.506	0	10	BJAE	
CC(C)C(Cn1ccc2cccc(F)c21)C(C)C	2220312910	RZXRUUHXCXKYLU-UHFFFAOYSA-N	247.357	4.709	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC[C@@H]1C)c1ccccc1	2220659419	KHGDTICUTLWJHM-YQQAZPJKSA-N	245.410	4.554	0	10	BJAE	
CC(C)C[C@]1(CNC2CCC2)CCC=CCCC1	2223592651	CBZCXPMBMYOHDQ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1csc(C(F)F)c1	2244783560	QXKYAEZEGYMKJK-KWQFWETISA-N	248.338	4.545	0	10	BJAE	
CCCN[C@@H](C)CC[C@@H](C)CCCC(C)C	2244836975	MGCDTYKCQAIGBQ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2CCCCC(=O)C2)C1	2246664882	QLERHWPEMQQQNM-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CCCCC(C)(C)NCC[C@@H]1CCC[C@H](C)C1	2246695932	ZFCGAMXYWNMVHR-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@](O)(CCCC[C@@H]1C[C@H]1C)C1CCCC1	2247126648	DNAIPSPSFOBESK-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@](C)(CCCC[C@@H]1C[C@@H]1C)CNC(C)C	2247163818	LQFXDUURGHKOGE-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@@H]1CCC12CCC2	2247388856	XUMPOPSQTYCDHG-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C[C@H]1CCCC12CC2	2247664994	LJOVOMJVLRTMPZ-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)N(C)CCCCC[C@H]1C[C@H]1C	2248837789	GQSCVVQDJGOUKF-PMPSAXMXSA-N	239.447	4.713	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@H](N)C1(C)CCCC1	2248856418	VUKRWPKMEXSBKQ-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1CC(C)(C)C1)NCC	2250357129	HIXWOTSVAVAAMA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)C1(C)CCC1	2250482895	XCTXEABLNYIACR-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC[C@@H](C)CCCC(C)C)C(=O)O	2250495698	KXKMJAAZEBZEIF-UONOGXRCSA-N	242.403	4.730	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)[C@@H](C)C1CC1	2250519940	PRYROPWDDDZCBA-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
Cc1ccsc1C(=O)C[C@@]12CCCC[C@@H]1CC2	2251151633	YTSIZGWALMZCQC-DOMZBBRYSA-N	248.391	4.600	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@]12CCC[C@@H]1CC2	2251215624	LSCPSQCFABDVKO-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)N(CC)CC1CC(CC(C)(C)C)C1	2251582085	IICMKBXDONXNBU-WLYUNCDWSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(N)CC(C)(C)CCC1(C)C	2251665686	MHWAYKOVHWDFHY-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@@H]2C[C@@H]2C)c(C)c1	2254592700	NXOWZIRIKOGWBV-YSVLISHTSA-N	245.410	4.520	0	10	BJAE	
N[C@@H](CC[C@@H]1CCC12CCC2)CC1CCCCC1	2255029810	UUBXJSHDLYRCEK-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCCC23CC3)c(C)c1	2255334895	XHPDXLJVEXCCJT-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1CCCC12CC2	2255339963	YDEPERDJCLGWJE-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
CCCc1ccc([C@H](N)C2=CCCCCC2)cc1	2256296787	DTNNWDWKOUZBQS-QGZVFWFLSA-N	243.394	4.529	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@]12CCCC[C@H]1CC2	2260501006	NNNHEWIHNMGRHV-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(F)cc(NC[C@]23CCCC[C@@H]2CC3)c1	2260628520	SWFNMZBGUBZAQY-CZUORRHYSA-N	247.357	4.516	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2298722994	WSWWDARUHIXUDX-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@@H](C)CC1CCC1	2298909334	XJDPOPPOBDOXBA-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](O)C1CCCCCCC1	2300691175	QMAJWJVYBMBCGI-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)[C@H](C)NCC=C(C)CCCC(C)C	2300866027	VMEZDNUAPAPNIP-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1ccc(C(C)C)cc1	2300874512	LCRBTTBJCJVZOQ-MRXNPFEDSA-N	231.383	4.556	0	10	BJAE	
CC(=CCN1[C@H](C)CC[C@H]1C)CCCC(C)C	2300885252	FBKWHRSNLJXSQC-HZPDHXFCSA-N	237.431	4.632	0	10	BJAE	
CCC(C)=CC[C@@H]1CCC(C)(C)CC[C@H]1NC	2300900200	VUKFULOVWRZIFJ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CC1=CCCCC1	2300903643	GRRURTIUPIBCSY-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H]1CCNc2ccccc21	2301930371	HNZYEUWAWLFDJA-MELADBBJSA-N	231.383	4.514	0	10	BJAE	
CCCNC[C@H](CC(C)C)[C@H](C)[C@@H](C)C(C)C	2301958690	MWTFSIYGYYATJI-XHSDSOJGSA-N	241.463	4.577	0	10	BJAE	
C[C@H](CC(=O)CCCC1=CCCCC1)C(F)F	2302296687	LHKHFLAGRPBJNW-LLVKDONJSA-N	244.325	4.518	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@@H]1C(C)(C)C	2303403110	XCLBTQAUKFQIJN-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1CCC(C)=C(C)C1	2303600269	GGSCPBWHTCVXGJ-UKRRQHHQSA-N	236.399	4.908	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc([C@@H]3C[C@H]3C)cs2)CC1	2307684862	VORBCXYPAAZYCT-FVCCEPFGSA-N	249.423	4.950	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)[C@@H]1CCC[C@H](C)C1	2307845046	PETKPAPMWPVACR-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2308581069	DLNIIBRQVTUGAX-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@@]12CCCC[C@@H]1C2	2311127448	MFXQBEAFAXPVBF-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](N[C@@H]2C[C@H]2C2CCCCCC2)C1	2311538660	GFHTWZBFXIKNBN-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@H]1CC[C@@H]2C[C@@H]2C1	2313032611	CMGUGUOCJDHFCO-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CN[C@H]([C@@H](C)CC1CCC1)[C@@]1(C)CC=C(C)CC1	2313693890	BCWNTEUDJVXXKB-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CC(=CCOc1ccc(O)cc1)CCCC(C)C	2316495029	BVDJSNKNNPPJMC-UHFFFAOYSA-N	248.366	4.544	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)c1ccccc1C	2316508597	LAIWOMHJLRPWKW-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C1CCC2(CC1)CC2	2316883594	CLXJHTVJCVYXAY-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316884764	JLYCSOYUQIANNM-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
NC1(CC2CCCCCC2)CC(C2CCCC2)C1	2316886143	UYFHJKKPTUCANM-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
N[C@@H]1CCCCC[C@@H]1C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316992581	BATURBGBKVEQRO-ZOFXXKQRSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)C[C@H](N)c1ccc(F)cc1C1CC1	2317068037	AHFJOQKQYHIBDT-INIZCTEOSA-N	249.373	4.529	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Cc1cccc2c1NCCC2	2317834449	JRLDMYIYCDKHAU-KGLIPLIRSA-N	245.410	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H]1c2ccccc2NC[C@@H]1C	2317950390	IVGWJLUGNDBHJT-WSMBLCCSSA-N	245.410	4.760	0	10	BJAE	
Cc1cc([C@H](N)CCCC2=CCCCC2)c(C)o1	2318576556	QGLKQNRVFCRXJB-MRXNPFEDSA-N	247.382	4.567	0	10	BJAE	
Cc1cc(F)cc(C(=O)C[C@H]2CCC(C)(C)C2)c1	2319116209	OMPLSPACHVZBSA-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(N)CCC[C@@H](C3CC3)C2)C1	2319318642	RPAGEXYKSAHARX-LXZKKBNFSA-N	249.442	4.501	0	10	BJAE	
CC1CC(C)(C[C@@H](N)c2cccc(C(C)C)c2)C1	2320527883	PRHYZNHKOPLZPA-BLDCVEFLSA-N	245.410	4.636	0	10	BJAE	
Cc1cc(C)cc(OCC[C@H]2CCC(C)(C)C2)c1	2321635221	ZFYADAKUOJKKEU-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)C[C@H](C)c2ccccc21	2328187745	HVSBGGIEBVFHCE-GRDNDAEWSA-N	245.410	4.564	0	10	BJAE	
c1ccc(CCc2ccc3ccccc3c2)cc1	1602002	JFYPVGUKRHOUDA-UHFFFAOYSA-N	232.326	4.625	0	10	BJAE	
Cc1ccc(NC2CCCCCCC2)c(F)c1	20372253	LJOXQFHZBTWSJT-UHFFFAOYSA-N	235.346	4.659	0	10	BJAE	
CCCCCN[C@@H](c1ccc(CC)cc1)C(C)C	21519798	WOYYRGAOJDVNEQ-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)c1cc(C)ccc1C	36792114	ZGXQSOYZRVCHDY-HZPDHXFCSA-N	247.426	4.923	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1NC[C@H]1CC=CCC1	36920876	RXOWIAXXJPVUPL-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CCCCCCC2)C1	71105227	MUGHGISMDRWIDP-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2ccc3[nH]ccc3c2)C1	79971788	CQWUSSYUWWWFIS-CQSZACIVSA-N	242.366	4.549	0	10	BJAE	
C1CCC(CCN[C@H]2CCC[C@@H](C3CC3)C2)CC1	81635609	HFGBSYTYIPYZPM-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
Cc1cc2cc(C(C)(C)C)ccc2[nH]c1=S	84034927	YUWHNUTUDNEOOV-UHFFFAOYSA-N	231.364	4.503	0	10	BJAE	
CCCC[C@@H](CC)CC1(CO)CCCCC1	85037667	AJZVEYYIVIPWEC-CQSZACIVSA-N	226.404	4.536	0	10	BJAE	
CCC1CCC([C@]2(O)CCC[C@@H](C)CC2)CC1	86892645	HSPXHSREFYSXQF-LMPOIIKSSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@]1(N)CCC[C@H](C(C)(C)C)CC1	86955934	FZBKVYNMNDEHIR-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC([C@H](N)c2cc(C)ccc2C)CC1	87934460	NLZICYNCFHWKGC-DQPZFDDXSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H](NC)c1cc2c(C(C)C)ccc(C)c2o1	88075546	XGLNRIIVWGWPLK-CQSZACIVSA-N	245.366	4.535	0	10	BJAE	
Cc1cc(C)c(NC[C@H]2CCC[C@@H](C)C2)c(C)c1	89607908	BGNYSEKVCGSAEW-WBMJQRKESA-N	245.410	4.850	0	10	BJAE	
Cc1cc(C(=O)C2CCCCCCC2)ccc1F	94073433	UJUJWPMCPKIWKN-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCCCc1ccc([C@H](C)CC[C@@H](N)CC)cc1	107478685	WSNWYKIKAWFUFI-PBHICJAKSA-N	247.426	4.650	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@@H]2CCC(C)(C)C2)c1	124992120	STKWMSNKTJEJAP-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
CN[C@H](c1ccccc1C1CCC1)[C@H](C)C(C)C	132597594	MZQNROPCBWCIJP-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)c1cc(C(F)(F)F)ccc1Cl	147236400	KGLORVKYWUATIX-UHFFFAOYSA-N	236.664	4.656	0	10	BJAE	
CCCC[C@@H](NCC=C(C)C)c1ccc(F)cc1	228838323	YRIVULBGCOKVBJ-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCCC[C@@H](CC)Nc1cc(F)cc(Cl)c1	229990970	OUYOFHUNXYIAAJ-GFCCVEGCSA-N	243.753	4.860	0	10	BJAE	
Clc1ccccc1N[C@H]1CCC12CCCCC2	230161709	KCCMKKNMPKSDGE-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
CCCC1(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	232951387	OVXIOAFGCVXFNH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](NCC(C)(C)CC)c1ccccc1	232992649	MPFJWUDWEPUFSV-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CCC[C@H](CC)Nc1c(Cl)cccc1Cl	233347951	BLDYNZKHWCQZFN-VIFPVBQESA-N	246.181	4.984	0	10	BJAE	
CCc1ccc([C@H](N)C2=CCCCCCC2)s1	234174880	OJJOKCAXMLDLRN-OAHLLOKOSA-N	249.423	4.591	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H](C)CC(C)C)NCC	302345869	JNRUPAXOXIZQRT-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CCc1ccc([C@@H](O)CCC(C)(C)C)cc1CC	302382922	OMXUQDBQXLGHRM-INIZCTEOSA-N	248.410	4.671	0	10	BJAE	
CC(C)(C)CCCOc1cc(F)ccc1Cl	304253433	RMWNKGCICWFGDZ-UHFFFAOYSA-N	244.737	4.684	0	10	BJAE	
Cc1ccc(N)cc1SCCC1CCCCC1	305896012	ITEDUCKADRPUHS-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
Fc1csc2c(C(F)F)ccc(Cl)c12	306871867	YNQXUUJAXUTAEI-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1c(Cl)ccc2cc(S)sc12	307104507	GFQJRTPSUMLYGL-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
C[C@H]1C[C@H](CC2CCCC2)Nc2ccccc21	310214671	VRCAGOBXKRRNDI-GXTWGEPZSA-N	229.367	4.555	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)CCC(C)(C)C)c1	310258375	JSBBDOMLAICMDP-GFCCVEGCSA-N	237.362	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2CCC(C)CC2)C1	310479802	DLHLBSMAOSMVGK-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
C/C=C\CCN[C@H](CC(C)(C)C)c1ccccc1	310597054	WIXGAWVUYZTTDU-OGZRUICASA-N	245.410	4.720	0	10	BJAE	
C[C@@H](Nc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2	314577754	FVWHEXISTXRMDB-VOAKCMCISA-N	249.785	4.577	0	10	BJAE	
CC[C@H](C)[C@H](C)C[C@H]1CCNc2ccccc21	319549364	GMVUTAFEVDYJCV-BFHYXJOUSA-N	231.383	4.658	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CC[C@@H](C)C[C@H]1C	391222138	ZPCCRMGHNKDPGN-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC1([C@H](N)CCCCCC(C)C)CCCC1	394844698	BOCFVSJEFJLKFZ-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CC1(CC(=O)c2cccc3ccsc23)CCC1	395437764	SPKLHTHRMWPNEW-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CC[C@](O)(CCC1CCCCC1)[C@@H]1CC1(C)C	397694177	PIHQUHMNVAYWJT-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H](C)C1CCC1	398901902	IDAOISXAXXJSFE-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)C)CC1(C)CC1	401394531	KXFGBLVSLMXUDN-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1ccc(C)c(F)c1	401830279	MELJKXOXVFPCTK-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1cc(C)ccc1F	401831212	MKNBMXRFIZAGMG-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
CCN[C@H](c1coc2ccccc12)C(C)(C)CC	404295557	NJVBHMNVFGNYQP-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CC(C)(CC[C@@H]1CCc2ccccc2N1)C1CC1	406012395	WMOVZGKFTFDQRV-HNNXBMFYSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)C(CC)CC	688355282	GNSNIXKUCGQFBU-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(CC)c(NC2CCCCC2)c1	689583879	AICAZZINDPYJBQ-UHFFFAOYSA-N	231.383	4.556	0	10	BJAE	
CC1CCC(C[C@@](C)(O)CC2CCCC2)CC1	689761473	AWUNTSUDLNJTKJ-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2CC3CCC2CC3)C1	691697519	JSOXAMPXPRZFPB-NVDSNGLKSA-N	248.410	4.598	0	10	BJAE	
CCC1(NC[C@H]2CC3CCC2CC3)CCCCC1	691764136	XTDGVHRVJWLNCH-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H]2CCC23CCCC3)C1	693901329	RHKCTNGWJGCVRA-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@]1(O)CCC[C@H](C(C)C)CC1	697599299	RILNRXBVUDQFDC-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC(C)=CCCC(=O)c1scc(C)c1Cl	697816069	MTYPKRXFTAEURC-UHFFFAOYSA-N	242.771	4.639	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@@H]1CCCC[C@@H]1C	704806100	ZHCLIHUSSWWHAL-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@@H]1CCCC[C@@H]1C	704845687	SVSHEUNXUKQAQQ-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@@H](C)CC(C)(C)C	708295340	BLJFFBLTSXTSKF-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)[C@]23CCCC[C@@H]2C3)c1	709122879	DXTNSVYAUBUKIG-XJKCOSOUSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@]12CCCC[C@H]1C2	709143292	AFZRHZDPALYBGC-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(O)CCCCC1(C)C	709262987	VBGIWEPLDJZFSA-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)N[C@H](C)CC1CCCC1	712516368	WTDYAMDTEVAPOY-CYBMUJFWSA-N	225.420	4.514	0	10	BJAE	
CCCNC[C@@]1(CC(C)(C)C)CC[C@H](CC)C1	713316559	SPRTXBZATOPAQV-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC(C)(C)[C@H]1CC[C@@H](C)CC1=O	713368976	RMZVYLXGGFUBNQ-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C/CCC(=O)C1CC(C)(C)CC(C)(C)C1	713752047	JGBJBRDBWSMFOX-BQYQJAHWSA-N	248.410	4.930	0	10	BJAE	
C1CCCC(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1	714305246	SDXFEHMSEFZUGK-BHYGNILZSA-N	249.442	4.658	0	10	BJAE	
CCCNCC(CC)(CC)CCCC(C)(F)F	718684257	GDWWOWNGONMZNR-UHFFFAOYSA-N	249.389	4.618	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1ccc(Cl)cc1	718684935	BBQOONZMWXSDDE-AWEZNQCLSA-N	238.758	4.510	0	10	BJAE	
CC[C@](C)(CCC(C)=C(C)C)CNCC(C)C	718789546	YCTYKMZYNDAKRI-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@@H]3CCC[C@H]32)cc1	722076399	LSCDTSKMXHZWCJ-USXIJHARSA-N	243.394	4.630	0	10	BJAE	
Cc1ccc(N(C)C[C@H](C)CC(C)(C)C)c(C)c1	1559489755	DOKBAAGPRMJDSN-CQSZACIVSA-N	247.426	4.812	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCCC[C@H]1C	1900694773	BTWCTVOKLHBLDA-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)c1cccs1	1900856889	CZMTUXVIHCIUSE-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
CSc1cccc(N[C@@H](C)[C@@H](C)C(C)C)c1	1901627101	SBRYFTIXMIPSJZ-RYUDHWBXSA-N	237.412	4.501	0	10	BJAE	
Cc1csc(-c2nc(CC3CCC3)cs2)c1	1901911463	GEHWYSOLOWAFNV-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CCCC(C)(C)C	1902190037	QEHFHCGBIXIGJR-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C)c1nc([C@@H]2CC23CCC3)cs1	1903456540	NVWUFTSWWOLYIS-MNOVXSKESA-N	235.396	4.704	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCC[C@@H]1CC	1905388432	JWEUQVXAQAQHPR-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@](O)(CCC)C1CCCC1	1910696590	PMTYMDPMRONJLI-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC(=C[C@H]1CCCC[C@H]1CC)CNC(C)C	1911883934	JPWVZTNKPCSUJV-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
Nc1ccc2c(c1)CCC2=CCC1CCCCC1	1911977228	YLTKFAQOJZHFPC-UHFFFAOYSA-N	241.378	4.569	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@](C)(O)CC1CCCCC1	1921560365	BECBDUXOYOFFIV-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(CC2C[C@@H]3CCC[C@H](C2)N3)CC1	1922309442	FKACUOPDQAJDFU-MQVJKMGUSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@H]1CCCOc1cccc(Cl)c1	1935934033	AYNCWJARWZZGLK-LLVKDONJSA-N	238.758	4.545	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)[C@H](C)CCC	1940864499	PWEXICRATFXEJO-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(C)c1OCCC[C@H]1CC1(C)C	1940872590	NLGIHZLARXZDPM-AWEZNQCLSA-N	232.367	4.509	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C(C)(C)C1CC1	1941125939	CMKFXEMYWMXJEF-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](CNCC(C)(CC)CC)C1	1941357472	LBMSQNJWMNTVAV-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](O)CCCCCC2CC2)C1	1941578253	YSDDCKWTDUGAGT-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)C1CCCC1	1941587314	RBNZEHWIHCXPLH-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C(=O)[C@@]23CCCC[C@H]2CCC3)cs1	1944223941	VDSVEAFCNJYJRR-DZGCQCFKSA-N	248.391	4.600	0	10	BJAE	
CCCCCC[C@]1(CNCCC)CC12CCC2	1944500182	MRZGKPSGTDEHQS-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CCN[C@@H](CC(C)C)C(C)(C)C1CCCCC1	1944630555	DVFPPNWSVCDQPY-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1CCC[C@H]1C	1944842344	JFAIFOMTYPUPAF-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)(C)C)CC(C)(C)F	1947084027	MZYMZMZFNYVROA-QWHCGFSZSA-N	245.426	4.565	0	10	BJAE	
CCCN[C@H](CCC1CC(C)(C)C1)CC(C)C	1948845555	BFSRCJDFLVMGCB-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCSc1ccccc1N[C@@H]1CCC12CCC2	1949325279	XCTXOZUEKLKLTM-CQSZACIVSA-N	247.407	4.543	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@@H]1CCCC(C)(C)CC1	1950919200	NLHJNEPYZRFOIZ-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)C)C1(CC)CCC1	1951237769	CUDDCMMSSCZZKP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(N[C@H]2C[C@@H]2C2CCCC2)CC1	1966024051	YJYKEOLWDLWKCC-BNICSPFPSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccc(-c2ccnc3ccccc23)cc1	1968633001	BDYAXTUQUPDUKU-UHFFFAOYSA-N	247.341	4.854	0	10	BJAE	
COc1cc(C)ccc1N[C@@H](C)CCCC(C)C	1969077489	VFKSWKLUANCMTP-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
C[C@@H]1C[C@H](N[C@H]2CCCC3(CCCCC3)C2)[C@@H]1C	1973864294	UQMQIYLSILSDSE-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1C=CCCC1	1978449750	DGXWDIVQRMKTSM-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCC(C)(C)C	1981000355	SMTLMVHSSQNKCG-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCC(CCC)C(=O)CC1CC(CC)C1	1983364561	FANHPRNGPCXMIS-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
FC1(F)CC12CC(C[C@H]1C=CCCCC1)C2	1984270455	RPILERQEQPDWCG-HIFPTAJRSA-N	226.310	4.558	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cccc(Cl)c1	1988795068	PJYSJDJMZVMDAG-GFCCVEGCSA-N	237.774	4.887	0	10	BJAE	
Fc1cc(C[C@@H]2C=CCCC2)cc(F)c1Cl	1993615565	QMJFEMWDEOOENS-SECBINFHSA-N	242.696	4.517	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H](C)CCC	1995215721	YIGJAIVEHCTQOS-KBPBESRZSA-N	226.404	4.988	0	10	BJAE	
C[C@@H](CN[C@H](C)C1(C)CCCCC1)C(C)(C)C	1995990020	DFVPLMBUCURUNB-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C(=O)CC[C@H](C)C(F)F)C(C)C	1996094100	KHHHAYFHQWSAGW-RYUDHWBXSA-N	248.357	4.555	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CC[C@@H](C)C1)CC(C)(C)C	1996237747	MKADGXBNVPNNQK-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H](C)C2CC2)CC1	1997116512	LDBAOQWTVVWONM-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CN[C@]1(C)CCCC1(C)C)CC(C)(C)C	1997356834	NXMXOCVBQITWJF-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CCCCF)CNC(C)(C)C	2000516379	WNBOJJYLGZJBJD-OAHLLOKOSA-N	245.426	4.711	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@@H]1CCCC(C)(C)C1)C(C)C	2003003186	BOXONBFVCRTUGW-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)CCCC2(C)CC2)C1	2003019331	WYRNARPMSHERRY-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCC(N)(CCC(C)(C)C)CC1	2004340843	DZEQQIGIHRQUIJ-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc(C)n1CC1(C)CCCCCCC1	2004936521	ALVALHDSHIJBCU-UHFFFAOYSA-N	233.399	4.856	0	10	BJAE	
Cc1cocc1C(=O)C1(C)CCCCCCC1	2004940854	AJWRVDAAGSLLSQ-UHFFFAOYSA-N	234.339	4.521	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)CCC(C)(C)C)CCC1	2006916480	SLQSVZLTVXZZDY-UKRRQHHQSA-N	237.431	4.680	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC1CC(C(C)C)C1	2007739414	YBTHMFUVELRLDY-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1NCC[C@@]1(CC)CC1CCCCC1	2009061241	DXBBGNFXEREUJW-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C(C)(C)C(C)C	2009533447	CIASZQYGZCFESY-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H](C[C@@H](C)CC(C)(C)C)NC	2009619564	MSISBEZFSRDJBI-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H]1CCC[C@H](C)CC1	2009628119	LZNKWCDVQXLGAK-GHNZZDGLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@]1(C)CC1(C)C	2009628897	PBIOJXBJUCICES-AFDQWNBZSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)C1=CCC(C)(C)CC1	2010716359	FDIGEVQUGITWNB-XJKSGUPXSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CC(=O)C[C@H](CC2(C)CCCCC2)C1	2012082318	BXNVKUNOFOXBLB-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC1CC(C(C)C)C1	2013271426	SDGIXBSWHNDJPL-UYSNPLJNSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CCC(C)C)NCC1(C(C)C)CCC1	2013323746	XLWKZUZTUUOYKA-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
Cc1c([C@@H](O)[C@@H](C)C(C)C)sc2ccccc12	2014291154	GMRCTBKQVBJXBN-HZMBPMFUSA-N	248.391	4.535	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)C1(C)CCCC1	2014326915	SYPJVIRATQEXSF-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H](C)C1(C)CCCC1	2014338502	OWPFNTPFDBDTTR-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)C2(C)CCCC2)C1	2014339340	LNAZXPFYIPNFOG-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CNC1CCCCCCCC1	2014856520	WBYQPVYAYYGJOI-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](O)(CC(C(C)C)C(C)C)C(C)(C)C	2015279014	TUHORHUJTHCXAK-INIZCTEOSA-N	242.447	4.882	0	10	BJAE	
CCNC[C@](C)(CC(C(C)C)C(C)C)C(C)C	2015412161	LJUMVOIIIIJFQY-INIZCTEOSA-N	241.463	4.577	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CC1CCC=CCC1	2016148980	FOLVRLHTEPZQFP-INIZCTEOSA-N	236.399	4.620	0	10	BJAE	
CC(C)C1(C[C@@](C)(O)C2CCCCC2)CCC1	2017112593	PNFAUJRHOHNNSM-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](CCC[C@H](O)C(C)(C)C)CC1	2017716421	RWPWOIBDIXOUHR-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CC[C@H](C)CC1)NCC	2017720852	IKCANUWUNDNRJL-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@H]2CC[C@H](C)CC2)C1	2017773865	GTRHGKQLMSTTQS-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C1CCCCCC1	2018183854	ZXTAWJWLHLITEX-OAHLLOKOSA-N	239.447	5.000	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@]12CCCC[C@H]1C2	2018631730	DMBBQXWUSRYNCH-OFQRWUPVSA-N	236.399	4.742	0	10	BJAE	
CC=C(CC)[C@H](N)C1CCC(CCCC)CC1	2020964230	GAEJSGFGUWRASH-BCLQGDPASA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C(CCC)CCC	2022683204	KMAQSZXBPHBRHU-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@]1(N)CCC[C@H]2CCCC[C@H]21	2022989360	BEMXQBLVXKUIQH-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC(F)(F)CCCC[C@H](O)CC1(C)CCCC1	2023300156	SZLWVYLVWNTLCP-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](O)CCCC2CC2)C1	2024126579	XKYGTZOLLQWKQH-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCC[C@@H]1CC1(C)C)CC1=CCCCC1	2027855088	LVGPMAHZGXRMCF-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](NC)c1ccc(C(C)C)cc1	2028252957	SAMMXLFBWURHIZ-IRXDYDNUSA-N	247.426	4.753	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1ccc(C2CC2)cc1	2028593318	LSXSIXMNNZGFHA-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)C[C@@H](C)C1CC1	2032165473	LKUCCQMNURDIGF-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)[C@H]1CCC1(C)C	2033578387	VQSNMYXCFWKUBQ-OAHLLOKOSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC2CC(C3CCCCC3)C2)C1	2033788019	RHEOKBVFKNYWRG-CRYBEJKASA-N	249.442	4.514	0	10	BJAE	
N[C@]1(CCC2CCCCC2)CC[C@@H]2CCCC[C@@H]21	2034255680	DXYTUEXBFMIJAY-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](C[C@H]2C=CCCC2)NC)C1	2035599818	JWRSKGBJMOZKRP-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@]2(N)C[C@@H]3CCCCC[C@@H]3C2)CCCC1	2035857637	DMTRCZZVNSYDIW-QLPKVWCKSA-N	249.442	4.645	0	10	BJAE	
CC(C)(CC[C@]1(N)CC[C@H]2CCCC[C@H]21)C1CC1	2037167353	UNTQBTQTXOLVKC-FRFSOERESA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](N)[C@@H]2CC23CCCCC3)CC1	2039077943	DIOIENMGTQHLJO-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@H](C)NC1CC2(C1)CC1(CCC1)C2	2039459854	IFIIWXAOZREVST-AWEZNQCLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCCC3(CCC3)C2)C[C@H]1C	2041290046	NHSQNDFWNFYJDM-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)c1ccccc1C1CC1	2042275850	VYHGVCBNSLTOFP-TZMCWYRMSA-N	242.362	4.573	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C[C@@H]1CCC=CCCC1	2045318055	RGDHSVANMRPGSS-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
C[C@H](CNC1CC1)[C@H](C)C[C@@H]1CCC=CCCC1	2045328486	FPFAGAFJIHWAAE-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2CCCC3(CC3)C2)C1	2045450097	NQKMDHYUBUKWGX-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)[C@H]2CC23CCCCC3)C1	2045541443	XYDMILBTIUEZAK-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CC1(C)CCCCC1	2045682715	PUDJMGVFNNIAHF-GDBMZVCRSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CC[C@@H](C)c3ccccc32)C1	2046581160	KMTMQPCDBNJGKI-RBSFLKMASA-N	243.394	4.579	0	10	BJAE	
CC(C)(C)NCC1(C[C@H]2CC23CCCC3)CCC1	2047015039	FZJUCPICVKAFSX-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@H]1CC12CCCC2	2047062320	MQRUNNIVPOEIJI-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CC12CCCC2)C1CCCCC1	2047065367	MOIOECCTPHPHTH-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
N[C@@]1(C2=CCCCC2)CCCCC12CCCCC2	2047561425	IDSLHXXEYFAOAG-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(N)C3CCCC2CCC3)C1	2050012539	RZGVVGQGPDIGEE-PENGNTFPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@@H](CC)C1)c1ccco1	2050527616	KLHSTWGPHRNGPD-QLFBSQMISA-N	249.398	4.537	0	10	BJAE	
C[C@H](Nc1ccc2c(c1)CCCC2)C1(C)CCC1	2052355324	YJWJHZJQBWXUSW-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
C=CC=CCC[C@]1(CNCC)CCCCC1(C)C	2053387969	XKUYNIKCGNKWOF-QGZVFWFLSA-N	249.442	4.705	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCC[C@@H](CC(C)C)C2)CCC1	2055549996	QLHPIIUHHNWWMR-GVDBMIGSSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCC=C[C@H]1NCC(C)(C)C1CCCCC1	2055562611	DTZDUWJJDLQJCX-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)c1ccoc1C	2056875903	LKBPYUFCIVYNCL-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
C/C=C/CCCC(=O)c1c(C)oc2ccccc12	2059196980	TVRJQTXFZNYMME-ONEGZZNKSA-N	242.318	4.670	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC[C@@]23CCC[C@@H]2C3)C1	2061575295	QWUYWRGUQGMCGS-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@@](C)(N)CC[C@@]23CCC[C@@H]2C3)CC1	2061601490	HTRZVVOFVYKXPX-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NCC1(CC[C@]23CCC[C@@H]2C3)CCC1	2061613885	BMZLZGWLVSBYKU-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C[C@@]12CCC[C@H]1C2	2061621353	FMZCXONADPXMIH-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNC1CCC2(CCCC2)CC1	2062602794	KYJOKDYKFAORJF-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H]2C[C@@H]3CC[C@@H]3C2)C1	2068707703	LEGKDGMEPWFYQZ-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)c1ccc2ccccc2c1	2068818762	RNMYJUMWLQTWKU-GUYCJALGSA-N	241.378	4.522	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1(CC2CCC2)CC1	2069565898	DYRBZLQHODNLHG-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H](C)C2CC=CC2)cc1	2070795069	LFPGYZFBFDBVRJ-ZIAGYGMSSA-N	243.394	4.967	0	10	BJAE	
CCc1ccc(N[C@H]2CC[C@@H]2C2CCC2)cc1C	2071781613	CZYXRMCBGSZIEV-SJORKVTESA-N	243.394	4.548	0	10	BJAE	
CCN[C@H](CC1(C(C)(C)C)CCC1)C1CC=CC1	2071947198	XYUSGVDRRLBEFK-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)c2c(C)coc2C)CC1	2072799181	QEFCSMOYJVBQAO-KKUMJFAQSA-N	249.398	4.503	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2C[C@@H](C)NC[C@@H]2C)CC1	2072809832	QRZMHBYOFDHMFA-FZKCQIBNSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@]23C[C@H](C)[C@@H]2C3)CC1	2072879394	UGGYONKJSZQIGR-BWJWTDLKSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@]23CCCC[C@@H]2C3)CC1	2074030357	SQPORCTZGPEWDP-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CNCC1(C[C@]23CCCC[C@H]2C3)CCCCCC1	2074034786	SSNWHCZKONWXBV-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CCC1CCC(N(C)[C@H]2CCC3(CCC3)C2)CC1	2074860112	PZBSMZALPCTPSY-GPANFISMSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2C[C@@H]2C2CCCC2)C1	2079493778	ZSVWUOQJGSZDPD-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C=C[C@@H]1C[C@H]1C1CCCCCC1)CN	2079705263	GGYDZHRULIOYCF-OIISXLGYSA-N	249.442	4.524	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@H]1C[C@H]1C(C)C	2079855705	ZRENYZYJZPFXRR-BBRMVZONSA-N	244.378	4.675	0	10	BJAE	
Cc1cc(C)c(NC[C@@H]2C[C@H]2C(C)(C)C)c(C)c1	2080018990	JPQBRFOMBFTSNP-LSDHHAIUSA-N	245.410	4.706	0	10	BJAE	
CNC[C@]1(C[C@H]2CCCC(C)(C)C2)C=CCCC1	2082986240	LHWYMUYHBGJPQW-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
C1CCC2(CC1)NCCC[C@@H]2CCC1CCCC1	2083812392	OCNCNEMYSTUDKS-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](C)[C@@](C)(N)CCCCCCC1CC1	2210526246	BOWFWQNHTGCKQD-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](O)CC[C@H]1C[C@H]2CCC[C@H](C2)C1	2213300199	MDCIHYQXZQMXDC-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)CC(CC2CC2)C1	2213388015	OFSISDSKXWXUQX-IUDNXUCKSA-N	238.415	4.534	0	10	BJAE	
CC(C)Cc1ccc(-c2cccc(Cl)n2)cc1	2213523240	PBLCWDFYQYTNPD-UHFFFAOYSA-N	245.753	4.601	0	10	BJAE	
CN[C@H](CC1=CCCCC1)c1scc(C)c1C	2213631558	OZZHVMSGVQKNBF-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
Fc1ccc(CC=Cc2ccccc2)cc1Cl	2213823105	OXBYDRJVIQPDCM-UHFFFAOYSA-N	246.712	4.735	0	10	BJAE	
Cc1ccc(C/C=C/c2ccccc2)cc1C	2213824886	MCQNBNWEVYVOQN-RMKNXTFCSA-N	222.331	4.559	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](N)C1CCCCC1	2214769451	YUQBWNZSUBPVBA-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCCNC[C@@](C)(CC)CC1(C)CC(C)(C)C1	2215402578	VWXFYOPAQPUAEY-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC(CC(=O)CCCC(F)F)CC1	2216408455	QTQPVBXPPMUPCN-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC[C@@](O)(CCCCCCCC1CC1)C(F)F	2216890110	FGQFHPCWKBNZBT-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CCC[C@H](C)C[C@H](CN[C@@H](C)CC)CC(C)C	2217137084	BCQQUURTVQXWOB-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NCC1(CC(C)C)CCCCCC1	2217155393	BXEFWLVBKKUIHM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H]1C[C@H]2CCC[C@H](C2)C1	2218333878	RWYCWWVVVTVWNF-ZHCJQAHYSA-N	249.442	4.514	0	10	BJAE	
OC1(C/C=C/c2ccccc2)CCCCCCC1	2219048747	QAJKYSMIJKIEHA-FMIVXFBMSA-N	244.378	4.565	0	10	BJAE	
CC[C@@H](NCC1(C)CC2(CCC2)C1)C1CCCC1	2220934541	CNAVNHGSXXUYAP-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)CC2CCCCC2)cc1	2223964920	APHFYTWVAUXELO-AWEZNQCLSA-N	244.378	4.638	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)CC(C)C	2244837955	RXXVPIBFSQBPML-HUUCEWRRSA-N	227.436	4.602	0	10	BJAE	
Cc1c(F)ccc(NCCCC(C)(C)C)c1F	2246361060	IHGYFLPSXZNRNI-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@](C)(O)C1(C)CCCCC1	2247350937	VQESFWSQUJXONK-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CC[C@H](CN)C1	2250469790	SPGYTXNROVFKDZ-JYJNAYRXSA-N	239.447	4.604	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)C1CC(C)C1	2250518083	GQELPMXHBNZHCJ-QQFBHYJXSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@H](C)NC[C@@]12CCCC[C@@H]1CC2	2251200404	DOSXDGRPFNJTHU-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H]1C[C@H](CC2=CCCCC2)C[C@@H](C)C1	2255135374	BHUCISOHAUAADR-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(OCC[C@@H]2CCCC23CC3)cc1	2255309655	BYUXDZCVENJCSB-HNNXBMFYSA-N	244.378	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CC[C@@H]1C1CCC1	2257316315	QLHOJJPJOCOKKS-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1(CNC2CC2)CC2(CC(C)C2)C1	2259592511	SSQBQWUIZQBMBJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CN[C@@]23CCCC[C@@H]2CC3)CC1	2260531569	AWOVCDYFSOYLOW-BHUNQDJPSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@@]23CCC[C@H]2CC3)CC1	2260580800	BXVJXEUEAAAIBH-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCCCN1C[C@@]12CCCC[C@@H]1CC2	2260612217	GLWFDJRCSCYQAJ-ZACQAIPSSA-N	249.442	4.611	0	10	BJAE	
C1CCCC(CCNC[C@@]23CCC[C@@H]2CC3)CC1	2260632263	BZGMDOQRMITRSR-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@@]12CCCC[C@H]1CC2	2260654617	AAPZFOKSVHVHCD-VYDXJSESSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@@]23CCC[C@@H]2CC3)CC1	2260667163	BXVJXEUEAAAIBH-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC1(C[C@@]23CCCC[C@@H]2CC3)CCC1	2260679166	PSURYZJTOAGAJI-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CC[C@@]1(C)NCC[C@H]1CCCCCCC1CC1	2299981565	PNEHUZWTCLFRPM-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](O)(CCC(CC)CC)[C@@H]1CC1(C)C	2300679269	RHXXJCLRJZVDHL-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCC(C)=CCNCC[C@H](C)CCCC(C)C	2300862695	HCQLSCPZIDQRNW-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CCC[C@H]1CCN1CC=C(C)CCCC(C)C	2300879876	JAGXJCSGCZYHMB-INIZCTEOSA-N	237.431	4.633	0	10	BJAE	
CC=CC[C@H](NCCC)C1(C)CCC(C)CC1	2300921176	NLXLLKWKWIIRJI-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CCc1ncsc1-c1cccc(C2CCC2)c1	2301781374	WGWDLOZLMYLOCD-UHFFFAOYSA-N	243.375	4.640	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1C=CCCC1	2302297391	OFWUZDSVGLLNEV-OAHLLOKOSA-N	232.367	4.583	0	10	BJAE	
CCC(C)(C)CC[C@H](CCC[C@H]1C[C@@H]1C)NC	2302613844	VZQOJRYGWLAPMA-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC(=O)CC[C@H]1CC[C@H]1C1CC1	2303154125	IGILEDYIQSOOAT-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
CCCC(N)(CCC)CC[C@H]1CC[C@H]1C1CC1	2303154352	JTYLLYOEWPABAX-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)CC1CCCCCC1	2307900624	GILIRSZWOAYXFK-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(C[C@@H](CC)CCC)C1	2307906779	IKSQVRPVODFRNP-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2[C@H]3CCCC[C@H]32)CC1	2311021487	QZRXYOAZFJHRLQ-KATPRTFMSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1C2	2313192787	MSLFRXXHZDXZQW-YLFCFFPRSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H](N)C1(C)CCC2(CC2)CC1	2313581497	SCSKYNSKQXQPOH-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@@H](C)c1ccccc1	2316243301	NEWCVWQONGNZNM-YOEHRIQHSA-N	247.426	4.595	0	10	BJAE	
CCc1ccc([C@H](CCC(CC)CC)NC)cc1	2316247388	DCCYNPSLKGHAKA-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCCc1ccc([C@@H](CC=C(C)CC)NC)cc1	2316502353	KYCLVBSOPVRHQO-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC(=CC[C@]1(N)C=CC[C@@H](C)C1)CCCC(C)C	2316560449	QOCWMHONIXFQGE-IAGOWNOFSA-N	249.442	4.833	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316738822	LMQCCEJZOCSAEK-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
C(CCN[C@@H]1C[C@H]2CCC[C@H]1CC2)CCC1CC1	2317021192	MZWNZQIPOPVONY-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1	2317934766	VQTFDIMPAOGYDB-OAGGEKHMSA-N	246.394	4.662	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@H]1CC12CCCC2	2317964328	GLNWUJQTARRXHW-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2(CC3CCC3)CC2)C1	2319123928	NRCPQIACAREFRC-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@H]1CCC(C)(C)C1	2319131709	RGMKRDCUQDULPI-LZWOXQAQSA-N	248.410	4.764	0	10	BJAE	
CC(C)(CC(=O)CC[C@@H]1CC[C@@H]1C1CC1)C1CC1	2319693244	OFUBVDONFATCKQ-CZUORRHYSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)CC1=CCCCC1	2320247545	BXFIJDWUXRVUSY-GOEBONIOSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)c2cccc(C)c2)CC1	2320410811	AVASFJOQQWLKIJ-NVXWUHKLSA-N	243.394	4.535	0	10	BJAE	
CC1=C(C)C[C@H](CN2CC(C)(C)CC2(C)C)CC1	2320567129	DCVVSBCRLGLYTK-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CC(C)c1cccc(CC(=O)C2CCCCC2)c1	2320643601	AERYTJMWFKSFDN-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC(C)(C)CC(=O)Cc1cccc(C2CCC2)c1	2320666919	BLCGDZRUBDUFKJ-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
C[C@@]1(N)C[C@H]2CC[C@H]1C[C@H]2CC1CCCCCC1	2327756433	SNNYCGWKRDMRBN-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccc(N)c(F)c2)c1	2327794724	MDNCLMQWZWEZON-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CNC)c1ccccc1C	2328197515	UYWSEKREMFLFEM-CVEARBPZSA-N	247.426	4.514	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)C1CC(=C2CCC2)C1	2328274728	MFWURRXGFGMSPU-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
Cc1cc(Cl)cc2c1N[C@@H](C1CCCCC1)C2	3715167	UKUAPPVWLMEFRV-CQSZACIVSA-N	249.785	4.565	0	10	BJAE	
C[C@H](Nc1ccccc1F)c1ccccc1Cl	19994252	ZVRBRICQGNEGIA-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(OC(C)C)cc1	20472724	LERNHQBYVICEJN-AWEZNQCLSA-N	249.398	4.855	0	10	BJAE	
CCCN[C@H](CCC(C)C)c1ccc(C)c(C)c1	35572801	QLECJVPEXXNCSW-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@@H](c1ccc([C@@H](C)CC)cc1)C1CC1	35580673	SDYLGGWTZFZQJX-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CCN[C@H](c1cccc2ccccc12)[C@@H](C)CC	70943402	NBZBINNRWYTOFP-GUYCJALGSA-N	241.378	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](N)(CC)CCCC	83186040	GBZFAIHQVMGQAC-HUUCEWRRSA-N	227.436	4.891	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccc(Cl)cc2)CC1	83427108	UXMDWGMPOFDZAK-YPMHNXCESA-N	237.774	4.721	0	10	BJAE	
CCC[C@@H](CC)n1c(=S)[nH]c2ccc(C)cc21	94660232	YTWDZTXNLUZWCB-LLVKDONJSA-N	248.395	4.759	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)c1ccccc1	103945599	NWMFIKKOMWAJSH-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
C/C=C\C[C@H](C)c1c(C)cc(C)cc1C	107532729	NHYWLKPDPXEXPK-DGMVEKRQSA-N	202.341	4.682	0	10	BJAE	
CCCCc1ccc(-c2ccc(N)c(C)c2)cc1	109774317	JWQAISPGOIGHMP-UHFFFAOYSA-N	239.362	4.587	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)CC(C)(C)C)cc1	109785806	KFBVRLLAHDFONX-SWLSCSKDSA-N	234.383	4.670	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(F)cc1F	110158785	QWLYQMNRVKSZIU-NSHDSACASA-N	241.325	4.593	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CCC)CNC1CC1	110184731	CZMDPAUMBNUSSI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCc1cccc(C(=O)CC2CCCCC2)c1	127590940	UINMTEQIXIQHJZ-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCCC(CCC)C(=O)Cc1ccc(C)c(C)c1	127821221	JPMKFMXAVORHBQ-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1cccc(C2CCC2)c1	133517926	SXAKNHIZQAUXBQ-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(C)c1ccc2c(c1)[C@@H](NC)CC[C@H]2C	136934151	TYRBDXUPEGJORX-WBMJQRKESA-N	245.410	4.532	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1ccc(C(C)(C)C)cc1	162235984	VFKOJHGWZWAQGS-BBRMVZONSA-N	247.426	4.810	0	10	BJAE	
CCCc1cccc([C@@H](N)C2CCCCCC2)c1	165877195	DAZWPKJESAEPQU-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCCN[C@H](CCC)C[C@H](C)CC(C)(C)C	168976901	ZMNKYEWZPCCKKQ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@@H]2C(C)C)cc1F	214408667	WJICMANSLAZQRT-GDBMZVCRSA-N	249.373	4.761	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1CCC[C@@H](C)C1	218015943	QCRCNGAVRLNSCY-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCN(CCC)Cc1ccc(C(C)(C)C)cc1	221757950	JPBPSUMWIZOEPB-UHFFFAOYSA-N	247.426	4.606	0	10	BJAE	
CCCC[C@@H](CCC)NC1CCC(CC)CC1	225973398	PVQRYPALKUIRRP-HWOWSKLDSA-N	239.447	4.904	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CC[C@@H](C)C2)cc1	227190539	FSLFBYVWGAFACH-WWGRRREGSA-N	231.383	4.801	0	10	BJAE	
CC(C)[C@@H](C)CN[C@H]1CC[C@@H](C)c2ccccc21	228130819	HKWWSDWXHKGSOT-KEYYUXOJSA-N	245.410	4.507	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CC[C@@H](C)c2ccccc21	228156651	WKVJOHQEAWVSPL-VBQJREDUSA-N	246.394	4.598	0	10	BJAE	
C[C@H](CC1CCC1)Nc1ccc2ccccc2c1	229676229	UASWUFSYDPECMM-CYBMUJFWSA-N	239.362	4.830	0	10	BJAE	
CCC[C@H](C)c1c[nH]c2ccc(Cl)cc12	233341630	MDWJBNDVMVJCNU-VIFPVBQESA-N	221.731	4.725	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@@H](C1(C)CCCCC1)CN2	235983553	LUSZNXYLOAVVEU-HNNXBMFYSA-N	243.394	4.783	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)[C@@H]1CCC[C@H](CC)C1	250559478	VXOJEIYDJNWCIP-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@]1(O)CCCC[C@H]1C1CCCCC1	252619525	VRRXWEVXHFCJBB-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@H](C)[C@H](C)CCC1CCCCC1	302247582	JELPQANPLSLCMX-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(C)c([C@](C)(N)C[C@@H](C)CC(C)C)c1	302372350	OQWAEKSLSWHYOY-WMLDXEAASA-N	247.426	4.550	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cccc(C2CCC2)c1	306053794	USFPUUPHGKQWFT-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NCC)C(CC)CC	308040693	AYUVOMOTNOSDEB-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](NC)C1=CCCCCC1	308077014	NOZAFPMLNXPQDD-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@@H](CC1CCC(C)(C)CC1)NC	310197117	ZZXCRGOHGIHBKS-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCCC[C@H](O)C2)CC1	310421920	OFJNGXVHDJPKGS-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C(C)(C)C(C)(C)C	310548430	FOWJLHXRUKVBGW-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
N[C@H](CCCCC1CCCCC1)c1ccccc1	310627702	XCIJYRKRXYAFKV-QGZVFWFLSA-N	245.410	4.827	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H]1CCCCC12CCCC2	311162264	YWVKCPWMSVVSRE-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H]2CCCC23CCCCC3)C1	313088715	XNSYPKPYKPDEIH-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@]1(CNCCC)CCC[C@@H]1C	317464699	YKWPQVOMZFEVRP-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CCNCC1(CCC(C)C)CCC(C)(C)CC1	317765593	WRJSDUGRZWQDMY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1ccc(Cl)cc1C	320228471	UTXLDKRLHPKFHB-MWLCHTKSSA-N	238.758	4.513	0	10	BJAE	
C[C@@H](N[C@H]1C=CCCCCC1)C1CCCCCC1	380674920	NIYRJAGWDIOLST-WBVHZDCISA-N	249.442	4.824	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1CCC[C@H](C)C1	381097109	WXHLYOZISUWTDJ-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](N[C@H](C)c1cccc(C)c1)C1CCCC1	382814252	WLSIRNAJSPTNAT-PBHICJAKSA-N	245.410	4.614	0	10	BJAE	
CCCc1ccccc1[C@@](C)(O)CCC(C)(C)C	384398999	CCTPPYZSTPWMNJ-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H]1CCC[C@@H]1C	384856230	MZLKNTDNNYJWKY-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](C[C@@H](C)c1ccccc1)NCCC	384858656	GUOMKMRJKDLRIE-NVXWUHKLSA-N	247.426	4.739	0	10	BJAE	
CCCNCC/C=C(\C)C[C@@H](C)c1ccccc1	384866309	HVFLRJPVNJSZRH-HTRKUNOGSA-N	245.410	4.516	0	10	BJAE	
CC1CCC(C[C@@]2(C3CC3)CCCCCN2)CC1	385188860	NQEMPNGCDITVBZ-VMBOVVBDSA-N	249.442	4.515	0	10	BJAE	
FC(F)c1ccc(NCCC2CCCC2)cc1	386260180	VHMRRVDIKLCIFY-UHFFFAOYSA-N	239.309	4.616	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCC1(C)C)C1CCCC1	387566492	ZTANJXOCWMVUEW-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](NCCC)C(C)(C)C(C)(C)C	390752572	DPLIONWEXKMVIP-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CSc1cc2c(C(F)F)c(F)ccc2s1	396255414	UWLCWSZWAXKQFB-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
COc1cc(Cl)c(C(F)F)c2sccc12	396292024	OCVSJLFHICKKCV-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1cccc2c(F)c(C(F)(F)F)sc12	396303254	TVZDDVZALPVZIF-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H](C)C2CCC2)C1	398673443	TVZCEMJXXWTZQV-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1cccc(C)c1	401861470	ZHDNBEKNLSDKCU-GJZGRUSLSA-N	231.383	4.623	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccc2c(c1)CCCC2	404635756	JEMPKHQZRDNKGU-CQSZACIVSA-N	245.410	4.802	0	10	BJAE	
CC[C@H](CC(=O)CC1=CCCCC1)CC(F)F	688867697	KQYKXTPDEFMUEC-LLVKDONJSA-N	244.325	4.518	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC[C@H]2C)cc1F	691080784	OMRXJKLEPYKOQY-IUODEOHRSA-N	235.346	4.515	0	10	BJAE	
C[C@H](CC1CCCCC1)NCC1CC2(CCC2)C1	691959101	GCEJFEZLCNMEDP-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@]12CCCC[C@H]1C2	693217482	PUGJIRNIYNSIDB-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CC(C)(C)CC	696178144	PWKLYAMOHUHYIJ-KBPBESRZSA-N	227.436	4.747	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)c1cccs1	696187415	RIPNYFZRIQUCSQ-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
CCc1ccc(C(=O)CCC(C)(C)CC)cc1	696672542	MSAHDJBHQVFBHK-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)CCC(C)(C)CC	696693264	VMURUGNUNUKFTQ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)=CCCc1ccc2sccc2c1	698012629	HAFXFAXRTUFYSV-UHFFFAOYSA-N	216.349	4.800	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)CC1CCC1	704930506	FSSPZTBVEGKDFK-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](NCC[C@@H]1CC=CCC1)[C@@H]1CC1(C)C	706891640	XNCDTILJPWMPKK-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CC(C)CNCC/C=C\C[C@H](C)CC(C)(C)C	709085539	NWVCRTASIVARAC-LZNQSLFOSA-N	239.447	4.641	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@](C)(O)CC1CCCC1	709162761	IEGVSYIIXCIDEM-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(N[C@H]2CCCCC[C@@H]2C)c1C	709164858	CRGSAUYZELFESS-ZFWWWQNUSA-N	231.383	4.684	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(O)CCCC(C)(C)C1	709255840	CDSOHNQAONJQTC-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCc1c(C(C)(C)C)cccc1C(F)(F)F	709864380	YMVBWDSQULORAI-UHFFFAOYSA-N	230.273	4.565	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(C[C@H](C)C(C)(C)C)C1	710751052	POKJTEWTSHICEQ-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C[C@@H](N)CC1(CC)CCC1)C(C)(C)C	711115473	XKIICBBKUWMFEF-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](CC(=O)Cc1cccc(C)c1)C(C)(C)C	711145127	IHBWNYVRHICVAH-HNNXBMFYSA-N	246.394	4.569	0	10	BJAE	
CC(C)CCCCCC(=O)C12CCC(CC1)C2	711207622	WDQBKFXQCAARCY-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@H](C[C@@]1(O)CC(C)(C)CC[C@H]1C)C(C)(C)C	713047017	KTBJLOHBSOLCKE-XJKCOSOUSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)c1ccc(Cl)s1	713267945	SAPRKAJRTCVKBZ-VIFPVBQESA-N	246.803	4.507	0	10	BJAE	
CC(C)(C)CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714497076	BYKINROTSSSQKP-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CNC[C@@]1(CCC(C)=C(C)C)CCCC[C@@H]1C	718739743	OGQXFKCLIGSFSG-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
C[C@H](CC1CCC1)N[C@H]1CCCCCC1(C)C	719223365	QSHLPSLOFOXEIV-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
c1cc2c(c(NCCCCC3CC3)c1)CCCC2	720215215	VHLDGLBXUMZCFF-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC3(CC3)C2)c1Cl	723603183	LJCZGUOEGNEZCJ-GFCCVEGCSA-N	249.785	4.783	0	10	BJAE	
CCN(CCC1=CCCCC1)C1CCCCC1	1473104633	VPDQYEVTQIENGY-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1cccc(C)c1F	1474086600	SNRFRLCNHFHBRH-JSGCOSHPSA-N	247.357	4.538	0	10	BJAE	
CC(C)N(CCC(C)(C)C)[C@H](C)c1ccccc1	1653773487	GKHBTFWPQJUYDR-OAHLLOKOSA-N	247.426	4.894	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1ccc(C)c(F)c1	1656859508	DCXKYEFNORHFLT-DOMZBBRYSA-N	247.357	4.538	0	10	BJAE	
CCC[C@@H](C)CCN[C@H]1CCCC(C)(C)CC1	1663164629	BFZDTGABLYBSOB-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCc1cccc(F)c1C(F)F	1901880654	BSIFFPSLNUFXJE-UHFFFAOYSA-N	230.273	4.742	0	10	BJAE	
CC(C)CCCc1cccc(C(C)(C)C)c1	1901885237	SGFSLUUZHSUGJB-UHFFFAOYSA-N	218.384	4.963	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@@H]1CCC(C)=C(C)C1	1902847140	FCUZEJVURDGJAT-BXUZGUMPSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@@H]2CC[C@@H]21	1907038245	XZBMKWXOOFASOL-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCCc1coc2cc(Cl)cc(Cl)c12	1907220841	KWZFDNDQHJVANS-UHFFFAOYSA-N	229.106	4.692	0	10	BJAE	
C[C@H]1C(CC2(O)CCCCCCCCC2)[C@@H]1C	1907987899	VRSKGQXKMRWOBU-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(NCC[C@@]23CCC[C@@H]2C3)c1Cl	1908418489	SGOWFJFWPHIIJO-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC1(O)CCCCCCCC1	1908532019	ISSQTDNZEVRIQL-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)C(C)(C)CC	1908555078	MVHKMHOIRABBHN-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)C2CCCCCC2)CC1	1909703503	POHCVELYWARZDN-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC1(O)CCC(C)(CC)CC1	1910705438	CKEXMGNMOKBTMM-QVOMUQBLSA-N	238.415	4.534	0	10	BJAE	
CCCNCCC=CC[C@@H](C)C1CCCCC1	1911928880	YJLQYWBNHUCZOS-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CCC=Cc1ccccc1	1912002890	ZTCRAQOSAJBYQT-RDJZCZTQSA-N	246.394	4.667	0	10	BJAE	
CCN[C@@H](CCC=Cc1ccccc1)CC(C)C	1912071052	JTXPCRFSNALELB-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CN	1912105245	MTNDHQLTIIYXTD-BZUAXINKSA-N	249.442	4.546	0	10	BJAE	
Cc1ccc(N[C@H]2CCC3(CCCCC3)C2)cc1	1915861384	BWYSCTRHTDBYHE-INIZCTEOSA-N	243.394	4.910	0	10	BJAE	
CCCN[C@H](CC)c1cccc([C@@H]2CC2(C)C)c1	1916483221	BVDLAGGFFPWFRV-JKSUJKDBSA-N	245.410	4.651	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)CCC1=CCCCC1	1924086211	KWERKLPZNVBSKO-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
Cc1cnc2c(Cl)cc(Cl)cc2c1Cl	1930880471	SRUKPFQRIDEHCO-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
C1=C[C@H](Cc2ccc(C3CC3)s2)CCC1	1932600532	DJMBLIDIMTZTCQ-NSHDSACASA-N	218.365	4.524	0	10	BJAE	
Cc1cc(NCC2C[C@H](C)C[C@@H](C)C2)cs1	1937458506	OLMPEAZHPAIRCF-GHMZBOCLSA-N	237.412	4.541	0	10	BJAE	
CCCC[C@H](CCCCC(C)(C)C)NCC	1939123488	XBIDSZFVIDKLNC-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCC[C@@H](CC)NCC(C)(C)C1CCCCC1	1940764251	XYYSNGQTVKUKLN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCCCCC2CC2)C1	1941574477	BEEHVMXCEIQPAP-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC[C@@](N)(CCCCCC1CC1)[C@H]1CC1(C)C	1941596656	NCSISXZDRAYPQR-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@@H](C)CCC(C)C	1942658470	PPKZHRLKFXIDKA-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](C)CCC(C)C)cc1C	1942663835	VHLQDVPRMNHNFQ-ZDUSSCGKSA-N	232.367	4.558	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@H]1CCC[C@H]1C)C(C)C	1944799120	JEPKOKLKYJJEAB-KFWWJZLASA-N	238.415	4.700	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)[C@@H]1CC1(C)C	1945829377	URUZFDMHEMHTFN-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@]1(CC(C)(C)C2CCCCC2)CCCN1	1946186803	BKLVCGWYQMTCBU-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CC(C)(C)F)cc1	1947079927	ZIFOSZBACYHRHO-NSHDSACASA-N	236.330	4.521	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1CC(C)(CC)C1	1948396964	CUZNXXUJULNKNG-CIDNJEQPSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)[C@]1(O)C[C@H]2CCCC[C@]2(C)C1	1948596202	NQWNAUYQURSUPC-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CC1(N)CCCCCCCCC1	1948991908	YPNQRJHAYNRMDU-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CCC=C(C)C)CC1	1949025500	WIVDCLQZOQSPFI-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CCN[C@@H](CCCCC(C)C)CC1CCCC1	1949871421	WXMCLTACQGEQNC-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)CC2CCCC2)C1	1949871900	VGJIKUBLKMXYQJ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC1CCCCC1	1949907133	KXVLDEQNRWVMHG-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCCCC1(N)CC2(CCC(C)CC2)C1	1950560274	NREOWHIIQMMSSM-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1NC1CC2(CCCCC2)C1	1972429190	YEYYHQHJINLLOY-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1CCCCC12CC2	1972722860	ASHGJBWMFCTFQK-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1csc(C(F)F)c1	1978586116	YAJXNAUVLYSBAW-MRVPVSSYSA-N	246.322	4.551	0	10	BJAE	
CC(C)CCC[C@H]1CCCCCCC[C@@H]1N	1980353019	WYODZUSBLGODIQ-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CCCC(C)(C)C)CC1	1984462838	TWPYGTPEJOQBDJ-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)[C@@H](C)CC(C)C	1990818746	XVIANUQOCHYTSU-GJZGRUSLSA-N	227.436	4.568	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1(CC)CCCCC1	1995739069	UIDOOEIHZJPSTK-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
C[C@H](N[C@H]1CCC(C)(C)C1)C1(C)CCCCC1	1995983517	PCIQWXVYOGPBPT-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CN(C)CC1(C)CCCC1)CC(C)(C)C	1995984273	XXEKBXGJOKUQAX-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H](CC)C(C)C)CC1	1997100013	KVHSSZJKSQWIOA-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C)C[C@H](C)C[C@H]1CCC=CCCC1	1999994909	ZMYXVDVHMGBTPU-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC(CC(=O)[C@@H]2CCCC(C)(C)C2)C1	2000104108	BYXPXZQYMRZWJK-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](NCC)C1(C)CCCCCC1	2000374223	VHSUIECGBAGOMI-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C(CC)(CC)CC	2000376442	MZJXBPWUVJJFER-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@@H]1CC12CCCCC2	2001254202	LYPUIMZRSDGXAH-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCC1CC([C@@](O)(CC)CC2CCCCC2)C1	2002313643	YUUMPUDGZSHUEK-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC([C@](C)(O)[C@H](C)CCC)CC1	2002924471	IPJLCCSAHGYFKF-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)[C@@H]1CCC[C@@H](C)C1	2002999867	XSHWIYOPIVHUQA-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CC2(C)CCCC2)C1	2003013352	GWEAJWNMMMQRMY-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](N)CC(C)C)CC1	2003067296	QKLGDVVTXRLMIV-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@H]1CCCCCC[C@H]1O)CC(C)(C)C	2003101190	VLUKDHITEIQMGG-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
O=C(CC[C@H]1CCCC2(CC2)C1)c1cccs1	2003678028	CKAYKLRNPPRCTL-GFCCVEGCSA-N	248.391	4.681	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CCCCC12CC2	2005538856	ZOFYSGUMEBZBMC-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
CCCCC1CC(O)([C@@H]2CCCC[C@H]2CC)C1	2009713555	BTERZFQXQKWXEW-LVDPKSTMSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)C(=O)CC12CCC(CC1)CC2	2012798599	WBLAPZXVRWAORE-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@](N)(CC12CCC(CC1)CC2)C(C)(C)C	2012835505	DCGRQTCVMXUDTJ-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)C1CCCCCC1	2013312639	UXLRJFJNBPZDRW-HNNXBMFYSA-N	239.447	4.856	0	10	BJAE	
CCC1CCC([C@@](C)(O)C[C@H](C)C(C)C)CC1	2015290640	LZLYNNLFJSIOJK-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](CCC)C(F)F	2015824210	IFNXEXZOVYQBPA-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CC(C(=O)CC2(C(C)(C)C)CCC2)C1	2017122839	FPHURDGJDJKHQH-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@@H](C)NCC1(C(C)(C)C)CCC1	2017143323	MQBQOXSQZPWEQR-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)C1(O)CCC2(CCCCC2)CC1	2017483750	CYTRTYHQYAJCQV-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(CO)CCCCC2)CC1	2017714644	FLPBALVTFUNVMY-SHTZXODSSA-N	238.415	4.536	0	10	BJAE	
CCC(CC)[C@H](C)NC[C@H]1CC[C@H](CC)CC1	2017730597	IWJYEOMVKGSVGP-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCCN([C@H](C)CC)[C@@H]1CC[C@H](C)[C@H](C)C1	2019123077	AXLZZEKBIZJOTC-ZJIFWQFVSA-N	239.447	4.712	0	10	BJAE	
CC[C@@H](C)N(C)C1CCC2(CCCCC2)CC1	2019303302	RTVDKHVTBNCRAD-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C)[C@@H](C)C(C)C)CC1	2019383779	FKIBAKQIKQVBJQ-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
Cc1cc(N[C@@H]2CCC3(CC3)C2)c(C)cc1Cl	2021771523	OYZDSGZUWHMPMK-GFCCVEGCSA-N	249.785	4.701	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@@H](C)C1CCCCC1	2022411097	FDSUBBIPCYYBDX-YUELXQCFSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1C[C@@H]1C1CCCC1	2022558235	UWZDPTRYRCJJRF-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(O)c(C)c(-c2ccc(Cl)c(C)c2)c1	2022726523	AUAJUGJPKYRWNN-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCC[C@H]1C[C@@H]1C	2023326215	BPUNFYOSSMVJMW-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CCCCC(C)(F)F)C1	2023331728	MWGVDCGLCNTQTR-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1C[C@@H]1CCCC(C)(C)C1	2024605211	JHSLMMSQVUDQRJ-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1CC[C@](O)(C[C@H](C)CC(C)(C)C)C1	2025577652	FESNICWHBLQOIU-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
Cc1cccc(N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)c1C	2027794391	VTHPSKXBYCOZRB-GKLJAUDBSA-N	245.410	4.786	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C1=CCCCCC1	2027899827	RNYJRSPMAYVKMK-KRWDZBQOSA-N	244.378	4.563	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@@H]1[C@H]2CCCC[C@H]21	2032833569	GQGAJOXAXDRFBU-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(N)c(-c2ccc(C(C)C)cc2)c1	2034369596	YQDSHZLUSQZGRB-UHFFFAOYSA-N	239.362	4.622	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)c1ccc(C(C)C)cc1	2036376360	SNBHLUOQBFGQKT-YOEHRIQHSA-N	247.426	4.666	0	10	BJAE	
CC1(CCCN[C@@H]2C[C@H]3CCCC[C@@]3(C)C2)CC1	2036666162	PZDLWCDIPORMAG-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C1=CCCCCCC1)C1CCCC1	2037074319	KNAGIBYBZDJNGR-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H]1CC=CCC1	2037161492	DMRFETDTZXISJJ-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@H](N)CCC2=CCCCC2)C1	2037171787	OEMPCHVFXBMUPZ-IAOVAPTHSA-N	247.426	4.587	0	10	BJAE	
Cc1ccccc1[C@@H](N)[C@@H]1CCCC(C)(C)CC1	2039375117	JCWBGCVFXCMPQH-ZBFHGGJFSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H](N[C@H]1CC12CCCCC2)C1CCCCC1	2040681809	WQXJXUJZVMGBRN-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
C[C@H](N[C@]1(C)CCCC1(C)C)[C@@]12CCCC[C@@H]1C2	2041729775	SZDUSYYIQYLLQW-ABFRBSLYSA-N	249.442	4.514	0	10	BJAE	
CC1(CNC2(C3CC3)CCCCC2)CCCCC1	2042935009	DFRIURGCAOQXJS-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CN(C[C@H]1CCC=CCCC1)CC1(C)CCCC1	2045307472	KVZCGVAUJSCSRZ-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CN(C[C@H]1CCC=CCCC1)[C@@H]1CCC(C)(C)C1	2045307584	MBUUNKOFHBKQCN-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)c1ccccc1F	2045313189	VRRWWDHCJBICOZ-CYBMUJFWSA-N	246.325	4.535	0	10	BJAE	
CC1(C)C([C@H](N)C[C@H]2CCC=CCCC2)C1(C)C	2045317014	IPGMIDHRVBHXFS-UONOGXRCSA-N	249.442	4.523	0	10	BJAE	
CCNC[C@@]1([C@H]2CCCC(C)(C)C2)CC=CCC1	2045509528	ZKWHLVOBXDXOSE-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)C1(C(C)C)CCC1	2045731905	CMADPXXXNIPFDU-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@H]1CC(C)=C[C@@H](C)C1	2045780657	XDWCOXZSYIHZSQ-KBRIMQKVSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H]1CCC12CCC2)C1CCCCC1	2047937279	WRSKUMUYIRPORW-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@@H]1[C@H]2CCCCC[C@H]21)CC1CCCC1	2048490301	ODWNRNWFNVTRTR-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@H]1[C@H]2CCCC[C@H]21	2049212404	RXHSLOIHGTXBAG-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](CNC[C@@H]2C=CCCCC2)C1	2049512552	UIKIAGZEJNZLEO-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC[C@]1(C[C@@H]2CCCC3(CC3)C2)CCCCCN1	2049854586	HJQJUSQWCIAVEC-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CCC1)[C@@]1(C)C=CCC1	2049991479	HTJAPZQFYILIOL-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@]1(C)C=CCCC1	2049996129	DWEMFYCLNOUNRW-DLBZAZTESA-N	247.426	4.623	0	10	BJAE	
Cc1ccc([C@H](N)CC[C@@H]2CCC[C@H](C)C2)cc1	2050427204	AWLLHXDLFKCWCM-YQQAZPJKSA-N	245.410	4.601	0	10	BJAE	
Cc1cccc([C@@H](O)CC[C@H](C)CC(C)(C)C)c1	2050442137	SYHGWWNHVIZOPM-HOCLYGCPSA-N	248.410	4.881	0	10	BJAE	
CCN[C@H](CCC1(C)CCC1)c1ccccc1C	2050456803	VCUIATLKSQPSGO-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCC1(C)CCC(N)(CC[C@@H]2C[C@H]2C2CC2)CC1	2051613059	NYCJEGCPWZIPSL-XNIRIUNOSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C1CC=CC1)[C@@H]1CCCC(C)(C)CC1	2053664422	KYWBTIHMPZIBPY-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](NCC1(C)CCC(C)CC1)c1ccco1	2056533938	JCEQCRWXFJISKT-NPCAHTBFSA-N	249.398	4.537	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1CC(C2CCC2)C1	2056689892	PWFZNTWFFVCJER-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCCC(=O)[C@H](c1ccccc1)C(C)C	2059203801	NSKQMTXWPZWUEH-BDUNBXCCSA-N	244.378	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)C[C@H]2CC2(C)C)CC1	2061090039	XWPPTBQLESUCOT-QLFBSQMISA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](C1=CC[C@H](C(C)C)CC1)C1(C)CCCC1	2061091678	KTPRLNVQZYSCFF-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CC(N)(C2=CC[C@H](C(C)C)CC2)C1	2061118989	LLRFAFQYHYKGPL-CKDBGZEDSA-N	249.442	4.667	0	10	BJAE	
C=C=CCCC1(CNCC)CCC(CCC)CC1	2061562415	DAKVEBLHKFVURV-UHFFFAOYSA-N	249.442	4.694	0	10	BJAE	
CCN[C@H](CCCC1CCC1)C[C@]12CCC[C@@H]1C2	2061614303	VATUIPWSNYSFON-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)C=CCC2(CCC2)C1	2063662803	XLMBKYRGOOKRBJ-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@](N)(CC12CCC(CC1)CC2)C1CCC1	2065337368	MISUEWADJWMWHY-BDVYOWHSSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC(=O)C1C[C@@H]2CC[C@H]2C1)C1CCCCC1	2068723460	MQPUUXPHUSBPCC-SNPRPXQTSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1CC2CCC1CC2	2070398913	OFZRAOVGECLVIR-OTBWCIGPSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)c1ccc(C)cc1	2070400625	WVEYDBJMUJKTPS-CVEARBPZSA-N	245.410	4.781	0	10	BJAE	
CC(C)(C)C1([C@@H](N)C[C@@H]2C=CCCCC2)CCC1	2071933753	NRABDSPWMZLPBI-CABCVRRESA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)C1=CCCCCC1	2072076931	PYUFXGKMFXGKOA-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@H]2CC23CCCC3)CC1	2072794180	RCBYKCHWFBPQEC-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC1(C[C@H]2CC[C@H](C)CC2)CC=CC1	2072804928	XOZRITBFXOUXLJ-WKILWMFISA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(CC(=O)C2CC(=C3CC3)C2)CC1	2072875955	UJSULPHEBXRWKG-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CC[C@](C)(Nc2ccc3ccccc3c2)C1	2073014747	LSFUANZVVFSKIA-DYVFJYSZSA-N	239.362	4.830	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H]1CCNC2(CCCC2)C1	2074138485	KHMRBFGTWPHSEV-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CNCCCC(C)=C[C@@H]1C[C@@H]1C1CCCCCC1	2079707713	VESSSPMIYJKSST-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
N[C@@H](CCC1CCCC1)[C@H]1C[C@H]1C1CCCCC1	2079830390	ARVFZRXTTUSNIB-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)C12CCCC1CCC2	2079851415	LASXKFURMNNIKF-ZBUZPQQSSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)C(=O)c1ccc2c(c1)CCC2(C)C	2082275045	KERCDTGKLXHLKM-GFCCVEGCSA-N	244.378	4.529	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C2CC(C3CC3)C2)C1	2082981177	BFTNMYXIAJLMLW-LRVUVFPRSA-N	248.410	4.598	0	10	BJAE	
CCCC(C)(C)C(=O)CC1C2(CCC2)C12CCC2	2083531816	PMBKRYILTBMMKZ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@](C)(O)CCCCCCC1CC1	2210527145	OHLSGNSAZVNDAB-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H](CCCCCCC2CC2)C(=O)C1	2213577730	FIISVMQHMUBOJK-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CC[C@@H]1C[C@H]1C	2215345004	GXDYAJSPCFZITE-ZYHUDNBSSA-N	247.769	4.649	0	10	BJAE	
N[C@H](CC1C[C@H]2CCC[C@H](C1)C2)C1CCCCC1	2218327713	MGUKPFGVUXHCMK-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC=C(C)C)CC1C[C@H]2CCC[C@H](C1)C2	2218348661	IDAKVLJEVBNPEQ-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)Nc1cc2ccccc2cn1	2220425920	JNTAKNGQEOUVMQ-OAHLLOKOSA-N	242.366	4.616	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](O)c1ccc(C(C)C)cc1	2220851405	PBQXZYAWWGQDPF-XOKHGSTOSA-N	246.394	4.670	0	10	BJAE	
CC1=CC[C@@H](CNC[C@H](C)C2CCCCC2)CC1	2221663426	ALJFAMROCNQNNY-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C1(C)CCC(C)CC1	2222005274	HERPPINVCVGKGT-PDOTXMHQSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CC[C@]1(N)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222983563	YWHDGWCLLQIUSU-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](CC)c1cccs1	2244799261	ATRHWCHFQWPKPA-STQMWFEESA-N	239.428	4.615	0	10	BJAE	
CCC[C@@H](CC)CNC1(CC)CCCCC1	2244803879	BQRPAIWAQCENTB-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC(C)(CC)[C@H]1CCc2cccc(C)c2N1	2246643942	ARGKWJIKRNYLBJ-CQSZACIVSA-N	231.383	4.548	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2(CN)CCCCC2)C1	2246662182	FPORLSAIIPSMAM-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CC(C)N[C@@H](C)[C@@H](C)CC[C@H]1CCC[C@@H](C)C1	2246671127	XCCXYEUKVLRJNI-FXUDXRNXSA-N	239.447	4.616	0	10	BJAE	
CC[C@](N)(c1cc2ccccc2s1)C(C)(C)C	2246951646	MPBSJACSEZOUHN-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@H]1CCC1(C)C)C(C)C	2247379799	PLCMAZCCJQTFFG-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
Cc1ccccc1NCCCCC[C@H]1C[C@@H]1C	2248858524	RMPDASYIQXADNA-GJZGRUSLSA-N	231.383	4.623	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H]1CCCCCC12CC2	2250384634	NPNZDXNUACLFDH-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCCNCC1	2250469179	LWVGPRDMQDUXEY-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(N)CCC[C@H]1C	2250475733	LRNJBIGKDKCXCX-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC(=O)[C@@]12CCCC[C@@H]1CC2)C(C)(C)C	2251130423	ZVHFUVLQAYORPD-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
CC(=CC1CC(CC(C)(C)C)C1)CCCCN	2251605531	YKOFTNRUFLDFBL-UHFFFAOYSA-N	237.431	4.524	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccc2ccsc2c1	2253054161	QQHJIAFFCOEQHB-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CC[C@@H]1CCCCC12CC2	2253849795	DEFFVAAFOAWCKD-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCCN1CC[C@H]1CCCCC12CC2	2253869173	VMYDZYSWMYXRRB-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2253910985	NSXJPNWBLDGTKM-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
Cc1cccc([C@H](O)CCCC[C@H]2C[C@@H]2C)c1C	2254577651	ALGRDQVFJRTHKN-JLJPHGGASA-N	246.394	4.553	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCC[C@@H]1CCCC12CC2	2255221627	BEDMMWQEHFFMGM-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CC[C@@H]2CCCC23CC3)C1	2255258630	KIZNLJCEKBAIPX-OWCLPIDISA-N	249.442	4.502	0	10	BJAE	
CC(C)CCC[C@@H](C)CCOc1ccccc1N	2257262457	LQDYMWCIKVTJOQ-CQSZACIVSA-N	249.398	4.500	0	10	BJAE	
Cc1cc(N[C@H](C)[C@H]2CCC2(C)C)cc(C)c1C	2258233118	KALKCMMRQFHZMC-GDBMZVCRSA-N	245.410	4.848	0	10	BJAE	
CC1(CNC[C@@]23CCCC[C@@H]2CC3)CCCCC1	2260528032	QGUQPGZXQQHNRW-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@]23CCC[C@H]2CC3)C1	2260568112	SFVSDCCBSKCNRF-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@@]12CCC[C@@H]1CC2	2260602949	GSPJNBOEYFZMQD-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(C[C@@]23CCCC[C@@H]2CC3)C1	2260652836	URUBDAHIZHOJGE-VQHPVUNQSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@]1([C@@H](C)CC2CCC2)CCCCCN1	2298858814	ROAOGLVPHNNAQU-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)C1CCC(C)CC1	2300674941	ZUOJBGLQAPLKQZ-AVVWSFFYSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCCCC(=O)c1ccccc1	2300677546	AWYWFIWTCJCWIZ-UHFFFAOYSA-N	232.367	4.866	0	10	BJAE	
CCC(CC)CC[C@H](N)C1CCC2(CC1)CC2	2300684734	XGKXXGCUCXIJHD-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCC[C@@H]1C(C)C	2300689917	CRGRBCZMTCAKHK-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
C[C@H](Nc1cc(C2CC2)ccc1Cl)C1(C)CC1	2300695869	WXFCVOSBNTYRIT-JTQLQIEISA-N	249.785	4.818	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@@H]1CC=C(C)CC	2300899889	SBHQLTNRDZKEPK-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
O[C@H]1CCCCC[C@@H]1CCCC1=CCCCC1	2302351565	JYPNIUXNOMCWAE-CVEARBPZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CCC(C)(C)C1)C1CCCC1	2302764722	BDTSAANNZFJNDI-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CC[C@@H]1C(C)(C)C	2303445687	SNWNXATYTCAYQY-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H](C)c2ccc(C)s2)CC1	2303459308	QBTSDVRIDBKSTB-UONOGXRCSA-N	249.423	4.596	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303460900	FFISZMKJQLCZDM-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@@H]1CC[C@H]1C(C)(C)C	2303466855	ZTFHZFNLPXEADB-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@H]1CC[C@H]1C(C)(C)C	2303513293	ZJUHZZHIBJBLJW-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1ccc(C2CCC2)s1	2303560594	WDOVTISXCXBVMW-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312958010	KIHHMBMDDWIAJP-CLPSQLOGSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1CCCCC1)[C@@]12CCCC[C@@H]1CC2	2313292057	HQSDQVRPBFILSR-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)[C@@]23CCCC[C@@H]2CC3)C1	2313304724	AXAMQVQZEHMZNP-LJIGWXMPSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)CCNc1cc(C)c(OC)c(C)c1	2317375157	LKEQINAEEQYKHX-UHFFFAOYSA-N	249.398	4.550	0	10	BJAE	
N[C@@H](CCCCC1CC1)[C@H]1CCC2(CCCC2)C1	2318877407	LWFWFIDGUVAFJD-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)C[C@H]1CCCC2(CC2)C1	2318945026	VTGPJCPJHJSOHP-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCN(C[C@H]1CCC(C)(C)C1)c1ccc(C)cc1	2319288278	GNQVRUOKGHVPCL-HNNXBMFYSA-N	245.410	4.648	0	10	BJAE	
C[C@H](C[C@]1(N)CCCC[C@@H]2C[C@H]21)C1CCCCC1	2319445105	AUSZTOUVLSEUTP-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)C[C@H]2CC[C@H]2C2CC2)CCCCC1	2319491815	KEGGAIHKCLOULO-ZBFHGGJFSA-N	248.410	4.742	0	10	BJAE	
CCCCC1CC(N)(CC[C@H]2CC[C@H]2C2CC2)C1	2319751946	VPGMHHJMWUIUEH-YTWPKEEVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](C[C@H]1CCC(C)=C(C)C1)NC	2320326935	IWNGOVSDWMCIBW-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)[C@H](C)CC1CC1	2320516703	KHOXHLDLPVDZFX-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CN[C@H](C(C)C)C2)CC1	2321274438	NLOJSSTWTDNSMN-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC12CC([C@@H]3CCCC(C)(C)C3=O)(C1)C2	2321575110	ORJZZERYRIAFFW-NVPAJSRCSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC2(N)CC(C3CCC3)C2)C1	2321644635	GODYHSRRHMICPC-BZOOQXSSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cc(C)ccc1C(C)C	2327701616	OTSTYVYOINXLPI-YOEHRIQHSA-N	248.410	4.978	0	10	BJAE	
CCCc1ccccc1[C@H](N)C[C@H](CC)CCC	2328269551	RKZXKTVMNIKGQZ-RHSMWYFYSA-N	247.426	4.855	0	10	BJAE	
Cc1c(C)c(C)c([C@H](O)[C@H](C)C(C)C)c(C)c1C	70126062	RPFVRFRMHVNSAR-BMLIUANNSA-N	248.410	4.554	0	10	BJAE	
CC[C@@H]1CCC[C@H](CCC(=O)C(C)(C)C)C1	70739988	YXIGGEMFSUSFJQ-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C(C)C)CCC1=O	71083894	LFFZDASTPIJXEH-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)c1cccs1	71084823	LDBQGZWYFMKKQG-JSGCOSHPSA-N	240.412	4.562	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccccc2C(C)(C)C)C1	80432646	LKEGQOXKBFDLDD-KGLIPLIRSA-N	245.410	4.975	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Nc1ccc2sccc2c1	83390362	NVDGNTFWIZFALU-MFKMUULPSA-N	231.364	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCC(C)(C)C)CC1	83435302	LAZVRTKSTYOESZ-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
C[C@H](Nc1ccsc1)c1ccccc1Cl	85527727	BSMKRKNBTJCVLU-VIFPVBQESA-N	237.755	4.575	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccccc2C)CC1	86894103	KPPWAYRAOOWTLL-LSDHHAIUSA-N	231.383	4.766	0	10	BJAE	
CCC[C@H]1CCC[C@H](NC(C2CC2)C2CC2)CC1	86923165	ZSXLFMMMOPVWHL-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(CCC(C)(C)C)CC1	87187575	OYKXRDJWPYMTTQ-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CSc1ccccc1NC[C@H]1CCC[C@@H](C)C1	89606208	SIMARSSDFXKXGX-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)C[C@@H](C(C)(C)C)CN2	103926952	YEBFYNYLVYFDAK-SWLSCSKDSA-N	245.410	4.830	0	10	BJAE	
CCCCC[C@@H](O)C(CC)(CC)c1ccccc1	111762017	WQMICGPCATZVMU-MRXNPFEDSA-N	248.410	4.686	0	10	BJAE	
CC1CCC([C@H](O)c2ccc(C(C)C)cc2)CC1	112886655	CLTFIZSHMQZJBF-PGEKIEPBSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@H](CC(CC)CC)c1ccccc1C	148237500	DIHMNUWKPGSTGF-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCC[C@@H]1CNC(C)(C)C	155445713	VUVSYXUEVJWVPT-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NCCC)c1cccc(C)c1C	159503958	KMHVILIMLXSTOV-KRWDZBQOSA-N	247.426	4.924	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C1=CCCCCC1	161961649	GXQFOJUFRHUMIW-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1C(C)(C)C1(C)C	167134478	NXFUCMIWTXDZCF-STQMWFEESA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H](C)CC(C)(C)C	168242724	DIRQBWKXWCRCTA-KGLIPLIRSA-N	228.420	4.780	0	10	BJAE	
CCCNC[C@@H]1CC[C@@H](CCC)C[C@@H]1CCC	219481360	RKYLLRKZFQKPMV-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](O)CC1CCCCC1	226914344	SHWPUDCXXLFCCB-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C(=O)[C@H](C)CCC)CC1	232968878	RDDXPMKUUYYCQS-IYXRBSQSSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)n1ccc2c(Cl)cc(Cl)cc21	233864969	DRLSPYKEGVNGCY-MRVPVSSYSA-N	242.149	4.919	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)c2ccc(C)o2)CC1	251875785	UTZIFOFGHRHHEA-KFWWJZLASA-N	249.398	4.598	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H]1CNc2ccc(F)cc21	300257185	FLRCOLYENKLQSE-ZIAGYGMSSA-N	247.357	4.551	0	10	BJAE	
CCCC[C@](CC)(C[C@@H](C)CC(C)C)C(=O)O	304174419	MUEXIBRLCJRDBP-DZGCQCFKSA-N	242.403	4.730	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@@H](CC)C2)ccc1C	306043257	SJUXRUQNRRCPFC-GDBMZVCRSA-N	245.410	4.938	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CCC1CC1)NCC	308044888	FSOMSQPCGYAWTG-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1cccc(Cl)c1	308055300	MVOQBKWJMSWIFG-NSHDSACASA-N	238.758	4.595	0	10	BJAE	
CCC[C@@H](CC(C)C)c1nc2c([nH]1)CCC[C@@H]2C	308060011	XDORSEWSANVWEZ-STQMWFEESA-N	248.414	4.779	0	10	BJAE	
CCCc1ccccc1[C@H](N)[C@H](CC)CC(C)C	308069029	PSXUJKXHVYWDJO-RHSMWYFYSA-N	247.426	4.711	0	10	BJAE	
CCC1(CNc2cc(Cl)ccc2C)CCC1	309280994	NFBMGXLCTFFOQJ-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@@H](C)CC(C)C	310101006	KUTGXFFNABRIMC-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C(=O)C(C)(C)C(C)(C)C)c1C	310589301	YBOYFKORSUCCEK-UHFFFAOYSA-N	232.367	4.558	0	10	BJAE	
CC1CCC(CCN[C@H]2C=CCCCCC2)CC1	310656239	PWBZRIHGKQXELX-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
Fc1ccccc1N[C@@H]1CCCC12CCCCC2	313003005	AJNJQDKDBXSRST-OAHLLOKOSA-N	247.357	4.741	0	10	BJAE	
CCC[C@@](O)(C[C@H](C)CC(C)C)C1CCCC1	313440879	ZRRGBGAMCCNCAA-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC2CC2)(C2CCCC2)C1	317812416	NFFQRJZFCFIRQB-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H](C)c1ccc(C)cc1C)C1CCC1	322613149	CVSDMVPVCCKFCN-YOEHRIQHSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC/C=C/c1ccccc1	324353988	ZTCRAQOSAJBYQT-IEVHZMJVSA-N	246.394	4.667	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](CC)c1ccsc1	382168138	VSWJHMMDJLRRGQ-SMDDNHRTSA-N	239.428	4.614	0	10	BJAE	
CC1=CCCC/C1=C\C1([Si](C)(C)C)CC1	382605320	RZOYCANOEYJNFO-ACCUITESSA-N	220.432	4.915	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)C)C1CCCC1	382681906	UFYBZBHHJJKVRA-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1cc(C)ccc1C)C1(CC)CC1	384989001	PLLNAPYISVXHPB-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
C[C@H](CCNC(C)(C)C)C[C@H](C)c1ccccc1	385007548	WJCNNLOOUSEABY-CABCVRRESA-N	247.426	4.595	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CCCC[C@H]2C)cc1C	385024588	OXDUOLDVQFYODG-ABAIWWIYSA-N	244.378	4.621	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CC2CCC(C)CC2)c1	385277248	ISIVPUALCBVDRU-QOJXUVEWSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H]1C[C@@H]1CN[C@H](C)c1ccc(C(C)C)cc1	387767912	BMKHXAQKKKNQOY-CKEIUWERSA-N	245.410	4.507	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCC(CC)(CC)CC	391165435	IUQLVKDQVNQQAP-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)CCNc1ccc(Cl)c(Cl)c1	394407280	QMTBRYCJEKZBGV-VIFPVBQESA-N	246.181	4.842	0	10	BJAE	
CCCC[C@@](C)(O)C[C@H](C)C1CCCCC1	394535236	NSFMOCZUULNIHW-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CCC1CCC1)NC	398940325	VVMAPKMORNZQLJ-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](O)c1cccc(-c2ccc3ccccc3c2)c1	404715530	QABUYLONWOMVLB-CYBMUJFWSA-N	248.325	4.560	0	10	BJAE	
CC(C)CCCCC[C@](C)(CN)c1ccccc1	405071283	FDOJPGHCCGBNGV-QGZVFWFLSA-N	247.426	4.510	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC(C)(C)C1CC1)NC	405811975	MUNDRVHOFHBSNA-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CNc2ccc3c(c2)CCC3)CCC1	687529018	LNBZKQXEXKHFSL-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CCSc1cccc(N[C@H](CC)[C@@H]2C[C@H]2C)c1	689683679	DNUUYRQQBNILMU-KCPJHIHWSA-N	249.423	4.645	0	10	BJAE	
CC(C)(C)NCC1(CC2CC=CC2)CCCCC1	692174292	JQNVZPRZTOIXFQ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)cc(CC2CCCCC2)c1	694940127	FMQUUAULXKZSDL-UHFFFAOYSA-N	220.331	4.511	0	10	BJAE	
C[C@H]1CC(CN[C@@H]2C=CCCCCC2)C[C@H](C)C1	695337870	ZDVIXJRAIPIIBG-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@H]1NC1CCC2(CC1)CC2	695690725	OSGIUGXFMFRKCF-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC[C@H]2C2CC2)cc1	696105852	RCODFOZBVWNTKF-IRXDYDNUSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C(CC)CC	696267691	PPWWRSOMZXLXOB-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CN)C1CCCCC1	696848405	JTNDMDGPFQXWSF-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]21)C1CCCCCC1	707832310	GDOAEWRIJTZCMY-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@@H](C)CC(C)(C)C	708250343	QWFQNLLYBMIJHT-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C[C@@H](N)CCCC(C)(C)C)C(C)(C)C	711111693	KBKJQNOGSSQPSD-KBPBESRZSA-N	241.463	4.993	0	10	BJAE	
C[C@@H](Cc1ccc2c(c1)CC[C@@H](C)N2)C(C)(C)C	711156553	HVZLTHOPAOPTLH-QWHCGFSZSA-N	245.410	4.658	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)C(C)(C)C)C(C)(C)C	711183082	APTJYEBHDSCSJZ-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1C[C@@H]2CCCC[C@@H]21	712375501	FBYATXQUJJWEOU-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](N[C@@H]1C[C@@H]2CCCC[C@@H]21)C1CCCC1	712375800	KGYFQGKGZKVPDO-MWDXBVQZSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H]3CCCC[C@@H]32)c(Cl)c1	712390405	PTKVOZSXZZBKRZ-TYNCELHUSA-N	249.785	4.639	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CC(C)(C)CC[C@@H]2C)c1	713063329	FBPWKPXJVITUSD-WFASDCNBSA-N	249.373	4.761	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCC[C@H](CC(C)C)C1	713169647	OWFFYKYVWMSPOB-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC(C)(C)C(C)C	713239785	CTPZZRUUKOIKNO-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
C=C/C=C/CC[C@@H]1CCCC[C@H]1CNCC(C)C	713702514	AUAFHNAKGHCASM-WBXGCANISA-N	249.442	4.561	0	10	BJAE	
CC(C)C(C)(C)CN[C@H]1CCCCCC1(C)C	719221852	NSIWVIUVAUFOHT-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H]1CCCCCC1(C)C	719289950	VXZSAMGGZPDJDE-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CCNC23CCCCC3)C1	721032013	AOAPNOVQIXKNCA-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	723639073	IISXCMWRRCXBNI-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
O[C@]1(C2=CCCCCC2)CC[C@H]2CCCC[C@@H]2C1	723648351	BEFKLWLHFFOLKW-BFYDXBDKSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1csc(S[C@@H]2CC[C@H](C)C2)n1	1166457870	DPIFNPBHRRFSMZ-VHSXEESVSA-N	241.425	4.547	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)c1cccs1	1258430199	JVNKLRROKLBQNX-QWHCGFSZSA-N	239.428	4.758	0	10	BJAE	
CCCC1CCC(NC[C@H]2CCC23CCC3)CC1	1875435447	IRTGHHUCCJBIIW-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(NC[C@@H]2CCC23CCC3)CC1	1875435448	IRTGHHUCCJBIIW-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCC[C@@H](C)C1	1900713545	PXVQHWGQRXSTPQ-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)CCC1(N)CCCCC1	1902143266	KQHXZUOBNPPHEF-AWEZNQCLSA-N	225.420	4.645	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CC)c1ccsc1	1905453075	GXTNORAJNBNUOL-JSGCOSHPSA-N	239.428	4.529	0	10	BJAE	
CCCCCC[C@@H](O)CCC=Cc1ccccc1	1912068307	ISRUEUDYRHCSAM-QGZVFWFLSA-N	246.394	4.811	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@@H]1CCCC1CC1	1913429617	CKPSRTCPOAJDEX-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@H]1CCCC12CCC2	1921642460	GEFJUGQCUSFWRX-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CSCc1ccc(C[C@H]2C=CCCCC2)cc1	1925823011	CBVKPNKWBKAUOI-AWEZNQCLSA-N	246.419	4.839	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC[C@H]2C=CCCCC2)C1	1925942636	LBCDRQRZEBDGBT-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C(C(C)C)C(C)C	1937161941	PJKTTXAEOKBBEQ-ZDUSSCGKSA-N	226.404	4.556	0	10	BJAE	
CCC1([C@H](N)CC2(C)CCCCC2)CCCC1	1940407428	IRHMJSBYLVAVNU-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](O)CC2(C)CCCCC2)C1	1940411682	XZVGXBIGINCDNC-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCCC1(C)CC1	1940873603	CDGWWHOGPMLNHY-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)C[C@@H](C)CC	1940884641	YUEDJNILDOSSDQ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](O)CCCCCC1CC1	1941573867	UGOUIHAXNBLGKI-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@](N)(CCCCCC2CC2)[C@H](C)C1	1941592229	RWPSKQKJFSDHIB-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)CNCCC1CCCCCC1	1941720166	SDNJCRSCFHYJAA-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)[C@@H](C)C1CCCCC1	1942665088	VQWZWIIWFPYFPJ-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@H]1CCC[C@@H]1C	1944845340	HHESXJKFSVAEHY-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)c2csc3ccccc23)C1	1945600699	VJOKAABOBQOUAU-MNOVXSKESA-N	244.359	4.520	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)CCCCCC(C)C	1947527981	XSFXIXAALYTAHT-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C=CCC1)C(C)(C)C	1947594479	YBZHDPUODURKEV-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)[C@@H](C)CC(C)C	1948325263	FSQABNFSEUGSQJ-QWHCGFSZSA-N	237.362	4.617	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](C)[C@H](C)CC(C)C	1948331513	GQZDLNONPHPFTP-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CCC1([C@H](N)CC2CCC(C)(C)CC2)CCC1	1948923191	DEOYOXHBKDDVER-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)c2cc3ccccc3s2)C1	1949505178	JDDGBSYADJLOCL-ZYHUDNBSSA-N	244.359	4.520	0	10	BJAE	
C[C@@H](C[C@@]1(CO)CCC[C@@H](C)CC1)C(C)(C)C	1950910509	HHFZUKODKCGGCP-IJEWVQPXSA-N	240.431	4.638	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C1(CC)CCC1	1951235352	SPFUFJRKXILKGN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C1(CC)CCC1	1951245463	UAODITWJBNEIQE-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C(CCN[C@@H]1CCCC12CCCC2)CCC1CC1	1966250169	QTMJHPYPRYXVQB-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H](C)CN(CC(C)C)C(CC)CC	1971359182	ORTGPQYYDDDXQD-CQSZACIVSA-N	227.436	4.569	0	10	BJAE	
CC(C)(C)C1CCC(NC2(C3CCC3)CC2)CC1	1972023112	RDQWSGQGPPLYAN-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C(C)(C)CCC	1976002641	CUGQHEXDAXYGFZ-UONOGXRCSA-N	227.436	4.747	0	10	BJAE	
CCCC(CCC)c1nc(C(C)C)sc1N	1981288941	VAKLADUZXNTQEC-UHFFFAOYSA-N	240.416	4.533	0	10	BJAE	
CCCc1csc(C2(C)CCC(C)CC2)n1	1983316524	OBXQPITYFUKRAA-UHFFFAOYSA-N	237.412	4.563	0	10	BJAE	
CC(C)C(CC(=O)[C@@H](C)C(C)(C)C)C(C)C	1988293334	RZVXFAGXKDGOPM-GFCCVEGCSA-N	226.404	4.556	0	10	BJAE	
CC[C@@H](CNc1cc(F)ccc1Cl)C(C)C	1988764212	JKMFVCAGTHLILW-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CCCCCCC(=O)CCCCC(F)(F)F	1993605542	XROFOTJMZLOSTN-UHFFFAOYSA-N	238.293	4.649	0	10	BJAE	
CC=C(CC)[C@@H](CC[C@H](C)CCCC)NC	1995258449	DQFUDKVNEZSMMA-UKRRQHHQSA-N	225.420	4.537	0	10	BJAE	
C[C@H](N[C@H]1CCCC1(C)C)C1(C)CCCCC1	1995991948	TXNAUMACSHFXLM-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H](C)C1)C(C)(C)CC	1996273153	SLQGYBGIYARBSL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](C[C@@H](N)C2(C)CCCCC2)C1	1997014714	WHJPDSKKOANSNP-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@]1(C)CC=CCC1	1997544450	RNZRMDDDKFJIMB-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC(NC2CCCCCC2)CC1(C)C	1997809484	PIXOUKIRRAISLR-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)CCC1CCC1	1998047635	NGKYOOVOZUQLQN-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(C[C@@H]1CCC=CCCC1)C(C)(C)C	2000011780	PTNPVUZGTZRDMY-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)CC1CC=CC1	2000371163	GJJMRUZPJLBQHT-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1CCCCCC1(F)F	2000764189	ZKCBNJXKIPSMPT-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)C1CC(C(C)(C)C)C1	2002303614	DHGMXWXCMPIAKD-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
CCCCCC1CCC([C@H](O)CC2CC2)CC1	2003109215	SSJPWKXCGMGQRG-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCCC(O)(CCC)CC1CCC2(CC1)CC2	2003189801	FPMUBXRAWMCSFJ-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
C=CC=CCCC[C@@H](NC)c1ccccc1Cl	2003683198	LVMVFHKIMMOLNS-OAHLLOKOSA-N	249.785	4.513	0	10	BJAE	
CCCC(CCC)CNc1cccc(F)c1F	2004713189	WXXYJUXWQQTSER-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
CC(C)CCC[C@@H](O)C1(C)CCCCCCC1	2004921024	QKBXQFBTIQJHKD-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1C=CCCC1(C)C	2006895203	QJHFKYKWGZJEMO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H]1CC[C@@H](C)[C@@H](NCCC)C1	2006960309	YJGYEKQSTMDPHB-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@H](O)C1(C)CCC2(CC2)CC1	2007699703	YUBURNRCCNXXRV-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@@H]2CCC(C)(C)CC[C@@H]2O)CCC1	2009406186	FKFLMHCOPSGFBX-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CCC1(C)CC1)CNC(C)(C)C	2009533083	ALYGVTDCFQIEPA-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC=CCCC[C@@]1(CNC(C)C)CC[C@H](C)C1	2009619927	POMWODYISWWVOH-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCC(=O)CC1CC(=C2CCC2)C1	2011070827	JPXSJAORLUQGKK-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](C)C[C@H]1C[C@H](NCC)CC(C)(C)C1	2012058286	JKDDZULSTNFVBT-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC)CCCCC(C(C)C)C(C)C	2015345680	VXAHJNHFAISSGY-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@](C)(O)C(C)C)CC1	2017711276	BEFBKPPZILXCPB-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@H]1CC[C@H](CC)CC1)NC	2017724895	ZUPUXMHKKWLFHD-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CCCC(C)C)CC1	2017773211	XECHQYROPGJSEQ-SHTZXODSSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1CCCC[C@H]1C	2018138898	MBPDQOAVZKUPAN-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](CCC(C)(C)C)NCC	2022484964	QHMAJSYGYRLPNW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCc1cccc(-c2cc(=S)c(C)c[nH]2)c1	2023460238	IXRZAMUHJVSXRG-UHFFFAOYSA-N	243.375	4.672	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)C[C@H]1CCCC(C)(C)C1	2024101847	NSFGJUDPSMVGLD-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@](O)(C[C@H]1CCCC(C)(C)C1)C1CC1	2024128196	KXSLELVGNCEQIO-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1CCc2cc(N)ccc21	2027822611	RJHDXXDFMKPVFG-OCCSQVGLSA-N	243.394	4.515	0	10	BJAE	
Cc1cccnc1NC1CCCCCCCCC1	2035879050	MAUBFHGUFIDJJK-UHFFFAOYSA-N	246.398	4.695	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1cccc(C2CC2)c1	2036355183	JZRNDFISKYCMDA-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C1=CCCCCCC1	2037074495	QCCYWRQYEYDANS-RDJZCZTQSA-N	249.442	4.955	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C1=CCCCCCC1	2037076097	RPAQGKXKNUDDKV-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
N[C@]1(C[C@@H]2CC=CCC2)CCCCC12CCCC2	2037166209	KUOAXKYGLWPAEN-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC1([C@H](N)[C@@H]2CCC3(CCCC3)C2)CCCCC1	2037762685	QQQKERJBOGELQT-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)[C@@H]1CCC[C@H]1C3	2038552383	IUUQQDIJXKUBCN-QWHCGFSZSA-N	239.362	4.731	0	10	BJAE	
C[C@@H]1CCC[C@](CNC2CC2)(C2CCCC2)CC1	2039377428	VFRSMGVBCUXNLB-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C2(C)CCCCC2)C12CCC2	2039844236	QWUUQSMBUGUQRV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@@]1(C)CC=CCC1	2042031674	VSZCIIAURIZQOB-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@H]1C=CCCC1	2043188117	RBISWNPQTQGVRS-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
N[C@]1(C[C@@H]2CC23CCCCC3)CCC=CCCC1	2047005992	XKTGHVUMYRHVRW-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1CC12CCCC2	2047051502	FTTZONZAWBRACJ-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CC12CCCC2)C1CCCC1	2047060096	VBUJJXSWHGWYSJ-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)CC2CC3(CC3)C2)C1	2049535654	GUGJDOGQPGXUJZ-GOEBONIOSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)[C@@H]2CCC3(CCCC3)C2)CC1	2049633960	ANGGPBSHMYAFFT-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC1(C)CCCC1)c1ccc(C)cc1	2050428169	DRQVQEHOSDDJLA-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CN[C@@H](CC1=CCCC1)C1(C)CCCCCCC1	2052477995	IQKGXPOMCYASTI-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H](CCC1CCC1)[C@H]1CCCCC12CCC2	2053408270	ULMBDCISWZMURY-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C2(C)CCC3(CC3)CC2)C1	2056535609	GHWMHBHIFUBPGX-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
O[C@]1(C=C2CCCCC2)CCCCC12CCCC2	2056857533	DRGRACWVOFGAHW-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
O[C@@H](C=C1CCCCC1)[C@H]1CCCCC12CCC2	2056862090	FLXKHTDWXIBIAE-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCCNC[C@@H]1C[C@H]2CCCCCC[C@@H]21	2059225854	SCQHNYSZPUYUTE-MLNLMIINSA-N	249.442	4.539	0	10	BJAE	
CC1(CCN2CCCC[C@H]2C2CCCCC2)CC1	2059247700	UEOPFUXDYQPHON-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](C)CC[C@H]1CNC1CC1	2059250963	VOCHWSQOSBRZKY-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(N[C@H]2CCCCC23CCCC3)C1	2059392810	WQVXXLWUCAWRGR-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC=C([C@@]2(N)CCCCC23CCCC3)CC1	2060912746	GXFGDSQPGUMZNF-PBHICJAKSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H](C1=CCC(C)(C)CC1)[C@H]1CCC(C)(C)C1	2061095115	KYUQREOYAKSNEG-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CC[C@@H](C)[C@@H]2C(C)C)CC1	2061121772	JHSKESPDOMJDQY-TXCZRRACSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@]1(CNCC(C)C)CCC[C@@H](C)C1	2061566678	OXMXHVXGDPMDAF-SJORKVTESA-N	249.442	4.550	0	10	BJAE	
CCCN(CC1CC(=C2CCC2)C1)C1CCCC1	2061677446	QDDPYWGVLAEPBD-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2CC(=C3CC3)C2)CC1	2061695311	BIYLHTLMVLVLLA-WFASDCNBSA-N	246.394	4.662	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1c(C)c(C)cc(C)c1C	2061868877	KFHQHKTZOPAQTI-MRXNPFEDSA-N	247.426	4.746	0	10	BJAE	
C1=C[C@@H](CN2CCCCCCCCC2)CCCC1	2065848112	FNKJHOAOAUABHB-QGZVFWFLSA-N	249.442	4.779	0	10	BJAE	
CCCc1ccc(N[C@@H](C)[C@H]2CCC2(C)C)cc1	2068290538	YNYMMHCJNGAEMW-XJKSGUPXSA-N	245.410	4.876	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2CC[C@H]3C[C@@H]2C3)cc1	2069220814	NNYIGRUJHLRUHE-LGWLGOQQSA-N	243.394	4.801	0	10	BJAE	
CCC1(CC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)CCC1	2069284221	XGBDBMXBRXTCOL-NWDGAFQWSA-N	246.350	4.556	0	10	BJAE	
CC(C)(C)C1(CNC2(C3CCCC3)CC2)CCC1	2071956606	QYKKGZDFDFOLSC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1C)C1=CCCCCCC1	2072092158	RWPBNRSXLCCFQM-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@@]2(C)CC=CCC2)C1	2072612982	XTMPKXGKSQFURT-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@@H]2CCC3(CC3)C2)CC1	2072796883	TTZRRPAYKNGRCQ-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCCC23CCC3)CC1	2072801858	RNZSPJMLWSFKIC-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC=C(C)[C@H]2N)CC1	2072806199	JQSSJTGCVIOCPL-SJJHQCBESA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(C[C@H]2C[C@@H](N)C23CCC3)CC1	2072813592	VJWACTLHZWFKQL-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(CN(C)[C@H]2C=CCCCCC2)C1	2074797080	MUQAOQPIPRCEGN-CGZBRXJRSA-N	249.442	4.633	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](O)CCC1=CCCCC1	2075714744	DANBMHJGBWGDSV-UAGQMJEPSA-N	248.410	4.620	0	10	BJAE	
CC[C@@H]1CC[C@](N)(C[C@@H]2C[C@H]2C2CCCCC2)C1	2079668751	CFRUNFHSFLDLJD-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@@]2(C)CC=CCC2)C1	2082977820	BOXYSYDWIPAUCP-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c2cc([C@@]34CCCC[C@H]3C4)[nH]c2c1	2083309991	SZCSJRCUFZIUFV-SUMWQHHRSA-N	239.362	4.616	0	10	BJAE	
Cc1ccccc1NC1CC2(C1)CC1(CCC1)C2	2083632751	INAOCSZNFZXPTO-UHFFFAOYSA-N	241.378	4.520	0	10	BJAE	
CC[C@H]1C[C@@H]2CC[C@H](C1)N2CC1(C)CCCCC1	2084512114	VFUGIXIHWLOKRG-PHZGNYQRSA-N	249.442	4.610	0	10	BJAE	
CC1(C)C[C@@]1(C)[C@@H](O)CCCCCCC1CC1	2213581488	XBOPCVFJIDAHJM-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CCCC(C)(C)C2)C1	2215395551	ZEMOISXZPFKMRE-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@H]2CCCC(C)(C)C2=O)C1	2215432718	MSJYCSMQFVPHRO-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCCC=CCN[C@@H]1CCC[C@H](C(C)(C)C)C1	2216252215	ISIJLSKCEKHAMU-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)NCCCCCCCC1CC1	2216884062	QTEOZZDCCGMXMF-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@]1(CN[C@H](C)CC)CCCC1(C)C	2217155934	GWUREVSPDWVRME-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218321499	FDQRJJXFCVKKOQ-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@]12CCCC[C@H]1C2	2218728391	URKFCJKIFVUCOV-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C/C=C/c1ccccc1	2219045074	ZGMQBRHSTZENBX-YRYLYKBFSA-N	246.394	4.667	0	10	BJAE	
CCCC[C@H](C)[C@@H](C/C=C/c1ccccc1)NC	2219083282	CPZJVKQBUXYXHS-QSNQCMLGSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H](C(=O)CCCCC1CC1)c1ccccc1	2220022474	IVECQGPJJIIRAK-MRXNPFEDSA-N	244.378	4.720	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@]1(C)CC=C(C)CC1	2221631400	NBIFHAAAWZMMPX-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1ccc(C2CCC2)cc1	2223705470	SIYQEEOMHKVVSG-RCAFFNEUSA-N	243.394	4.700	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1ccc2occc2c1	2224191412	SJXZMOAETRZJEB-LRDDRELGSA-N	246.350	4.539	0	10	BJAE	
C=C=CCCCc1cccc(C(C)(C)C)c1	2245450387	RXEUHCXIPGZFMP-UHFFFAOYSA-N	214.352	4.648	0	10	BJAE	
CCCC(O)(CCC)CC[C@H]1CCCC12CC2	2247650481	KALRHPXPGVKTCH-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](C)C(C)(C)CC	2248101672	FKFFEXVLONCPTE-NSHDSACASA-N	237.362	4.625	0	10	BJAE	
CCCC1CC(N)(CCCCC[C@H]2C[C@@H]2C)C1	2248817134	VEKFHVKFSGEBRM-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC[C@H]1CCC[C@H](C)C1	2250361379	MHLOAQGFHODIBC-XUWVNRHRSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)C1CCCC1	2250469750	SBSMFVMWJGTDOB-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@]12CCCC[C@@H]1CC2	2251125584	KUIHCAQTQUQQCR-CZUORRHYSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CC1CC(CCCNC(C)(C)C)C1	2251500992	HGSVAHIDWXYTHB-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
N[C@H](C=C1CCCCC1)C[C@@H]1CCCCC12CC2	2253790018	DSSVPBKYMKTVGN-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H]1CCCC[C@@H]1CC[C@@H]1CCCCC12CC2	2253821841	MCBSJJSWWHCOIA-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)CC2=CCCCC2)C1	2253994027	BUMAZLKBDCLCLT-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
CC1CC2(C1)CC([C@H](N)C1(C)CCCCCC1)C2	2254481397	QORBADIOLCAPAP-LETWWHAPSA-N	249.442	4.501	0	10	BJAE	
CCN(CCCC[C@@H]1C[C@@H]1C)c1cccc(C)c1	2254578980	CUIGJENMFIRZER-JKSUJKDBSA-N	245.410	4.648	0	10	BJAE	
NC1(C[C@@H]2CCC23CCC3)CCCCCCCC1	2255012355	IXXIIOWDLDXFLR-HNNXBMFYSA-N	249.442	4.789	0	10	BJAE	
CCNCC1(CC2=CCCCC2)CCCCCC1	2255145562	HJZKDKJFTNFWPU-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC[C@H]2CCCC23CC3)[C@@H](C)C1	2255268925	KSRQNFIXKVSYLA-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN1CCCCC12CCC2	2257297862	HOTBGMRHOTVPPZ-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC1(N)CC(C2CCC2)C1	2257311120	KXBQCJJOFVVDST-DFULUXCASA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(NCCCCC[C@@H]2C[C@H]2C)c1	2257333432	YBISXPMQIREIFD-GDBMZVCRSA-N	245.410	4.877	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNc1cccc(C(C)(C)C)c1	2257906467	WAZGQXAKXGSQBO-KGLIPLIRSA-N	245.410	4.832	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)c1cc2ccccc2o1	2259440593	HGPDOKZLIOHGIV-BLLLJJGKSA-N	245.366	4.520	0	10	BJAE	
C[C@H](C[C@H](N)[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2260502619	SNWADRBZWXXPMZ-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)[C@@]12CCCC[C@H]1CC2	2260505260	GXNNEGVAKHFXSX-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CN(C[C@@]12CCCC[C@@H]1CC2)C1(C)CCCCC1	2260572113	ZLWIJBVLNZVTJU-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
C[C@H](NC[C@]12CCCC[C@@H]1CC2)C1CCCCC1	2260580648	BPRKYMPAGXBGHW-USXIJHARSA-N	249.442	4.515	0	10	BJAE	
CC(=C[C@]12CCCC[C@H]1CC2)c1cccc(N)c1	2260655988	FENUOKIJWHNXEI-DOTOQJQBSA-N	241.378	4.643	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@]23CCCC[C@@H]2CC3)C1	2260679213	PXRZLTWXBAPYIR-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]([C@H]2CCNc3ccc(F)cc32)C1	2261340776	XLRIGJJPENIPRK-DGCLKSJQSA-N	247.357	4.551	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H](C)CC1CC1	2298850612	IPZRBKJYLYHUSQ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCC1)[C@](C)(O)CC1CCCCC1	2298857465	HNYFWSRUANTHFT-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(N)C(CC1CC1)CC1CC1	2298867907	VDTQAKOJMBISFQ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](N)c1ccc(C)c(C)c1	2300683774	NDOODSLOHARJBX-INIZCTEOSA-N	233.399	4.520	0	10	BJAE	
CC(=CCCC[C@H](O)C1CC1)CCCC(C)C	2300864752	DZXPMMPBVOISHT-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2[C@@H](C)C[C@H]2C)cc1	2300945688	UVLVFXNYJFOMAM-BCUIYNNISA-N	231.383	4.657	0	10	BJAE	
CC1(C)C[C@H](N)C[C@H](CC2CCCCCC2)C1	2301143077	PTVOTHGQOJRYPY-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CC1CCCCCC1)[C@@H]1CC1(C)C	2301144388	DAJIBSLTRHKTJC-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)CC1CCCCCC1	2301245351	VWVQJFWPBMUXDT-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(CC[C@](C)(N)[C@@H](C)C(C)C)C(C)C	2301934593	FXPNBPSSPZIKAW-HOCLYGCPSA-N	241.463	4.704	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@H]1CCC(C)(C)C1	2302688816	AHRKKUPIDDNCNL-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304361652	XEERPKWCXXMHFH-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC[C@@H]1CCC(C)(C)C1	2304448465	YNDMCRVFHIULOM-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](NCC)c1cc(C)ccc1C(C)C	2307501502	QCBSZPNGZJLFPV-MRXNPFEDSA-N	233.399	4.569	0	10	BJAE	
COCCCCCc1sc2ccccc2c1C	2307565137	JRZTYDBBNVPEQX-UHFFFAOYSA-N	248.391	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)[C@@]12CCCC[C@@H]1C2	2307834596	KGXXFKQQEIMBMZ-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cc(C)ccc1C	2307909199	SLBIBXZIUXEPHH-GDBMZVCRSA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H]1CCC[C@H]1C(C)C	2307910042	MKWPVNOBQBERJG-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2308399539	BPNNPFBXWCIGMY-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)([C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309142271	DEKKQIPDVJCHOK-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H]2CC[C@H]12)C1CCCCC1	2309518026	OKJSHLQUNBKADG-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@](O)(C=C1CCCCC1)C2	2309907875	BFHJCZLWCVTBJQ-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)CCC[C@H]1C[C@H]1C	2310440898	AQTANCQDRRSCIH-AIANPOQGSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@@H]1CC)[C@@]1(C)CC=CCC1	2312456655	CMXYISJZIGYFAD-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@@H]3CC[C@H]2C3)CCCCCC1	2312948458	VJSFCCNYJCUMLZ-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NC(CC1CC1)CC1CC1	2313606922	XTXGMSRQLFAYGG-CXAGYDPISA-N	249.442	4.514	0	10	BJAE	
CCN[C@H]([C@H](C)CC1CC1)[C@@]1(C)CC=C(C)CC1	2313696971	ZXFZJCZOMYLKEF-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
C[C@@](N)(CCC1CC1)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316885296	PZAPOPVDQSNSBW-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
C[C@](CNC1CC1)(CC1CCCCCC1)C1CC1	2317008250	CVBOYICEZUAFTQ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCCCC1)c1ccc(F)cc1	2317020635	IESZESQMDNYAEB-MRXNPFEDSA-N	249.373	4.576	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H]1Nc2ccccc2C[C@H]1C	2317950418	JCZOUPPVQOJPKD-XJIUQZFPSA-N	245.410	4.588	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](CCCC2=CCCCC2)CC1	2318538648	JQUJZYMUZHBVSC-SJORKVTESA-N	247.426	4.731	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C23CCCC2CCC3)C1	2319135663	RYAALKYIDSWHPC-CBCUQQMYSA-N	248.410	4.742	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CCCC[C@@H]2C[C@H]21	2319253536	WBQFAOGMXIFULK-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CC[C@H]1C1CC1	2319543305	YEGIJWYDXMWYOQ-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H]2CCCCCC2(C)C)CC1	2320237608	LRLNQABQSIDPRK-HOTGVXAUSA-N	249.442	4.824	0	10	BJAE	
Cc1cccc(OC[C@@H]2CC[C@H]2C(C)(C)C)c1C	2320253602	NDLPRYYEKWMIIX-LSDHHAIUSA-N	246.394	4.755	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)C2C(C)(C)C2(C)C)CC1	2320388199	NTNGEQPEDFEHHI-ZIAGYGMSSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](CC[C@H](N)c2ccccc2)CC1	2320395455	WLFGWLJLWIWKOM-RDJZCZTQSA-N	243.394	4.603	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H](C)C2CC(C)(C)C2)CC1	2320415909	FPNYUTSHDAIPCB-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@H](CC1CC1)C1CC1	2320784767	QYUDDDWLPOUWGR-MRXNPFEDSA-N	246.394	4.662	0	10	BJAE	
C[C@H](NCC[C@H]1CCC(C)(C)C1)c1ccccc1	2321524761	AYUYCXDYZKDNNM-LSDHHAIUSA-N	245.410	4.554	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CCC[C@H](C)C2)C=CCC1	2326709459	QBAOBKOCBAZDQO-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(F)cc1F	21519329	QAMVCNDJLAEURR-ZYHUDNBSSA-N	241.325	4.592	0	10	BJAE	
CCCCc1ccc(N[C@H](C)[C@H](C)CC)cc1	21796865	AHMDBUMSYPBZBH-ZIAGYGMSSA-N	233.399	4.876	0	10	BJAE	
C[C@H]1CCC[C@H](C)C1Nc1cccc(Cl)c1	21802999	PPMNYCZYYPDEAA-QWRGUYRKSA-N	237.774	4.577	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C[C@@H](C)CC(C)(C)C)c1	36889571	KVMWCQOJHUODRS-CJNGLKHVSA-N	247.426	4.766	0	10	BJAE	
CCc1ccc([C@H](CC)NC2CCCCC2)cc1	37223552	IRERTRHPTIXEKR-KRWDZBQOSA-N	245.410	4.622	0	10	BJAE	
Cc1cc(C)c(NCc2ccccc2)c(Cl)c1	41570852	DBBNOZZMIRLQGC-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
NC1CCCCCCCCCCCCCC1	78133242	WOUBBKXUBXTPIL-UHFFFAOYSA-N	225.420	4.789	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@]1(N)CCCC(C)(C)C1	79972285	IOOGBMOVHOVEGH-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)Nc1c(Cl)cccc1Cl	83847805	ZFMPRODXBHXHKU-VIFPVBQESA-N	246.181	4.984	0	10	BJAE	
CC(C)c1ccc2c(c1)[C@@H](C(C)(C)C)NC[C@@H]2C	84230573	IICUVCDRNJRJOB-LRDDRELGSA-N	245.410	4.604	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1NC(C)(C)CC(C)(C)C	85098036	JJQUTBLQEWQVJP-HZSPNIEDSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(C2CCCCC2)CC1	86951490	KDAPEQOKTUFRPH-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCCC1(C)C	94284565	NTCVIKFIYOXAMT-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)[C@@H](C)NCC1(CC(C)C)CCCC1	94873890	ORUZDHDCAGSYFM-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@H](C)NCC1(CC(C)C)CCCC1	94873891	ORUZDHDCAGSYFM-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](NCCC(C)(C)C)c2ccccc21	123937521	LWEIBZZSNCUFBH-XJKSGUPXSA-N	245.410	4.651	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1CCC(C)(C)C1	129560730	OUKSCRKRQJGKAT-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CCCCS2)n1	132273664	QUTGMQGCQZTUNP-ONGXEEELSA-N	241.425	4.615	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccc(C(C)C)cc1	163749728	BCVUOAUSCMNIBT-CJNGLKHVSA-N	231.383	4.801	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1ccc(C(C)(C)C)cc1	167243258	HXTBEYJHZHDVRL-CJNGLKHVSA-N	247.426	4.681	0	10	BJAE	
CCN[C@@H](c1cc(C)c(C)cc1C)[C@H](C)C(C)C	168720261	GKWFIXHDRFDGOI-NVXWUHKLSA-N	247.426	4.555	0	10	BJAE	
CCCC(CCC)c1nc2c([nH]1)C[C@@H](C)C[C@H]2C	212942286	KONXXXFVYRFSDA-NWDGAFQWSA-N	248.414	4.779	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CC[C@@H](C)[C@@H](C)C1	221314863	DMAMDLOEJLRFLJ-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CN[C@H](CC(C)C)c1ccccc1	232997296	PLFHGWDZKPQVPQ-MRXNPFEDSA-N	247.426	4.800	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](C[C@H](C)CCC)C1	251400689	ZQWGECMKNQKXMU-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@H](CC)[C@@H]1C	251674678	OVRSDWGQKIMRRN-UVPYHEFZSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)c1sccc1C	251732887	FRYWWKLOWAGJRI-WCFLWFBJSA-N	239.428	4.532	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C[C@H](C)CCC	253022279	CAYKUZSARGEDIE-RBSFLKMASA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(C2(C#N)CCC2)cc1Cl	260669684	QYTXKOBBDPXUBN-LLVKDONJSA-N	247.769	4.799	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@H](C)CC(C)C	300838538	CVVILNZCYCOBJG-HUUCEWRRSA-N	227.436	4.604	0	10	BJAE	
Cc1cc(C(=O)C[C@@H](C)CC(C)C)sc1C	300998649	WSYSQHIGXJALLV-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
CC(C)CNC[C@H](C)[C@H](C)CCCC(C)(C)C	305907178	GFFNNHNPCWMHAX-CABCVRRESA-N	241.463	4.721	0	10	BJAE	
CSc1cc2cc(S)c(Cl)cc2s1	306863206	IJMMNHJXHFMTOQ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)C1=CCCCCC1	307984789	BMWOUABCOQURAS-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)[C@H]1CCC[C@@H](CC)C1	308057762	SARZBEHPSIRSKU-ILXRZTDVSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc([C@H](O)C[C@@H]2CCC[C@@H](C)C2)c(C)c1	310731705	DYMGLBIVKYJEAR-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)c1c(C)cccc1C	381454376	RZHHQOOSNMHHHL-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)C1CCCC1	382816208	CKDZKHWLDVBLJV-BBWFWOEESA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCC[C@@H](C)CC1	383168321	KKZMYAQSNBBUDL-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@@H](CCCCCC(C)C)NC	383308060	VCLCCFNIWOXZMK-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCN[C@H](CC)[C@H](C)CC1CCC(C)(C)CC1	383896950	MYXKCPLUQNDSQI-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@@H]1CCCC[C@H]1C	384494719	AEOALBOLUDQBQZ-FRFSOERESA-N	245.410	4.636	0	10	BJAE	
Clc1cccc(OCCC2=CCCCC2)c1	385237019	UXGBOTZUUXYENY-UHFFFAOYSA-N	236.742	4.609	0	10	BJAE	
C[C@@H]1C[C@@H](NC2CCCCCC2)c2ccccc21	385760434	UEZHHYMXTCOKMX-CXAGYDPISA-N	243.394	4.547	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1cccc2ccsc12	386261620	VSLSQZCZPJCNMN-LLVKDONJSA-N	246.375	4.766	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H](C)c1ccccc1	394875914	WOKIANLVUMCLTJ-DOTOQJQBSA-N	247.426	4.724	0	10	BJAE	
CCC[C@@](O)(C1CCC(CC)CC1)C(C)(C)C	395443843	WBIVIBXVQCGKGS-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
COc1sc2cccc(C(F)F)c2c1Cl	396184387	OHRUFVSCGMXOAO-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCN[C@H](CCC1CCC1)CC1CCCCC1	398738224	YDCXEEIFDFHNBT-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@@H](C)C(C)(C)C	399306534	KMVBVOQPMXTUSJ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@](CNC(C)C)(CC2=CCCC2)C1	401164867	KQHDYYRLFJRDFJ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(CN)c1ccccc1	405128096	FJOIFKMSJYUSFH-NVXWUHKLSA-N	247.426	4.510	0	10	BJAE	
CC(C)(C)c1ccc([C@H](O)CCCC2CC2)cc1	406042413	UXUUDMPAYYOALV-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CCC[C@H]1CCC/C(=C/Br)CC1	606288454	QGQRGLFGTFQQOL-RGAIUGGKSA-N	231.177	4.646	0	10	BJAE	
CCC[C@H](O)CC/C=C(\C)CCC=C(C)C	616590753	KDCGWBPROCYAQO-GOFCXVBSSA-N	224.388	4.620	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCC12CCCCC2	693816191	TYLRWEFOMUVIOY-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC[C@@H]2C2CC2)c1C	696107241	UKANTXIYMWIKHK-NVXWUHKLSA-N	243.394	4.684	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CCC=C(C)C	697598580	JZLJAAHYVJKUNM-HUUCEWRRSA-N	226.404	4.556	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)CCC(C)C	697752774	HKCOZDKJBAAQER-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC(C)=CCCc1cccc(C(F)(F)F)c1	697991857	LZJHIDWGJGUXRY-UHFFFAOYSA-N	228.257	4.604	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccc2ccccc2c1	701069473	SMYQDZLBTXFXAJ-MRXNPFEDSA-N	242.362	4.700	0	10	BJAE	
CCCCCC[C@]1(CNC(C)(C)C)CC1(C)C	702134521	VMAOSFJZEVCTKJ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@H](N)[C@H]1CCCC[C@H]1C)CC(C)(C)C	704843970	JCVRNPBBXJEUIT-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CC1(CC(=O)c2cccc(C(C)(C)C)c2)CCC1	709460202	KHTKIHQPAAOQNW-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
Cc1cc(NC(CC(C)C)CC(C)C)cs1	710765244	LKMIIFDDQMVYPC-UHFFFAOYSA-N	239.428	4.929	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1C[C@H]2CCCC[C@H]21	712508492	KRNRJKXUKBIFLK-DJIMGWMZSA-N	241.378	4.555	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714389709	CVOQYUHPPYUVGZ-HRCADAONSA-N	248.410	4.908	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C1CC2(CCC2)C1	717530497	HTVVPZCFYUSWNJ-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCCc1ccc(C)cc1	718754025	QTIIZYFXXBCDPW-UHFFFAOYSA-N	202.341	4.674	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H](C1CCC1)C1CC1	719189655	OFEMURIKFGXEIP-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H](N[C@H]2CCCCCC2(C)C)C1	719290635	XMSBSXPRPTVLEP-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCc1ccccc1	720987210	SCJZMRYGLZRTBX-QGZVFWFLSA-N	245.410	4.525	0	10	BJAE	
Cc1cc(C)c(-c2cccc(O)c2Cl)cc1C	1242801302	XIBSWAMHLRPVAH-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CCC[C@H](C)SCc1ccccc1C1CC1	1307329534	DQZZXKKKNADXBD-LBPRGKRZSA-N	234.408	4.986	0	10	BJAE	
CCCC1CCC(N(C)C[C@H]2CC=CCC2)CC1	1560803934	KODVPINRWSYGML-CGZBRXJRSA-N	249.442	4.633	0	10	BJAE	
C=C/C=C/CCSC[C@@H](C)c1ccccc1	1643904638	FDALFXOIIJRZHU-ISZGNANSSA-N	232.392	4.656	0	10	BJAE	
C=C/C=C/CCSc1ccc(F)c(Cl)c1	1652515535	GROHJCNQHZEJKG-ONEGZZNKSA-N	242.746	4.704	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)[C@@H](C)C(C)C	1901709825	POKYWVQEDVSBHY-ZNMIVQPWSA-N	227.436	4.616	0	10	BJAE	
CC(C)C(=O)CCCC[C@H]1CCC(C)(C)C1	1903416640	AXDYEYBGHZBYAA-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H](CC)CCC	1905353672	NZDVTFHZKGFERD-CABCVRRESA-N	227.436	4.891	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1C[C@H]1C1CCCCCC1	1910598687	GECLKVKAEURPKZ-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CCC1(C=C(CNC(C)C)C2CCCCC2)CC1	1911918656	QMEJEGIUSIBXGL-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@](C)(O)C1=CCCCCC1	1919958285	HEYPIPUAULMTDN-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)c1ccccc1C(C)C	1919971388	ZLQWCDXQPHJDAG-RHSMWYFYSA-N	248.410	4.844	0	10	BJAE	
CCCCCC[C@@](C)(O)c1ccccc1C1CC1	1919982001	UUOUPXRUDUQTOV-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@H](C)C1CCCC1	1924124119	HZJNKHGNSYDAPV-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@H]1CCCC12CCC2	1925760513	LEISXOGYKDDSEN-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccsc1Cl	1932478483	NWRZUXCSEBHWHW-NXEZZACHSA-N	243.803	4.782	0	10	BJAE	
CCCCC[C@H](O)[C@H]1CCCC(C)(C)CC1	1939900161	OFKNHTQNKUVRND-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)C[C@H](CC[C@@H]1CC1(C)C)NCC	1940856522	OQBHCJRNWVAGAL-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](CCC[C@H]1CC1(C)C)NC	1940877653	QUTPJLWCROZJGK-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@@H](C)CCC(C)C)CC1	1942658066	OTCQDEMDSQSICN-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCC(F)(F)CC)C(C)(CC)CC	1947883766	UNEQVTHMFPHFJW-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCC(F)(F)CC)CC1	1947890933	SHCTWEJXRSMVPA-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC(C)C[C@H](C)c1csc(-c2ccccc2)n1	1948324871	DEBJNBBIIJNCCQ-LBPRGKRZSA-N	245.391	4.960	0	10	BJAE	
CC(C)(C)c1ccc([C@H](N)CC2=CCCC2)s1	1949034360	VRJUZGGKPJDBOR-GFCCVEGCSA-N	249.423	4.546	0	10	BJAE	
CCCCCC[C@@H](O)[C@H]1CCC2(CCCC2)C1	1949449838	BTCZYWQIXAXUMS-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCC[C@@H](N)[C@H]1CCC2(CCCC2)C1	1949552263	QASYHUASTCVVSI-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1CCC(CC)CC1)C(C)(C)C	1949824578	BHZCETFTFVIFBQ-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CNc1cccc(C2(C)CC2)c1)C(C)(C)C	1967832863	UQPVULBRCNZETJ-CYBMUJFWSA-N	245.410	4.832	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1ccc2c(c1)CCC2	1968357986	HYZMMYDJMGVHPN-AWEZNQCLSA-N	245.410	4.802	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)C[C@H]1CCC(C)(C)C1	1968437640	WGLMIXAGFWFXJO-GJZGRUSLSA-N	245.410	4.506	0	10	BJAE	
Cc1cc(F)cc(N[C@@H](C)CCCC(C)C)c1	1968594588	GCXWYPVAKDMRLB-ZDUSSCGKSA-N	237.362	4.761	0	10	BJAE	
CCC1(CC)CC(Nc2cc(C)cc(F)c2)C1	1968596991	WGSCVADKLMCXFY-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCC[C@H](NC1CC2(C1)CC(C)(C)C2)C1CCC1	1969867658	XXQTYXDRHKIEDQ-HNNXBMFYSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCCC12CCC2	1970017786	KPBPHAYAIJVTCK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)CNC1CCC2(CCCC2)CC1	1970538192	LYEPNCOBUWFTSG-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CC[C@@H](C)c2ccccc21	1970821470	IGHITQNVGLCYRV-JJRVBVJISA-N	245.410	4.651	0	10	BJAE	
CCCC(C)(C)CNC1CC2(CCCCC2)C1	1973163144	ASIGKCKEGATYEF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC1(C)CC(N[C@H](c2ccccc2)C(C)C)C1	1973589577	IKFZQHSOFUGGSF-CGZBRXJRSA-N	245.410	4.552	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1CCC[C@@H](CC)CC1	1976344008	ZMOIBQIAVOSUGW-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)(CC)C(=O)CCC[C@H]1C[C@H]1C	1985899941	NYNJKNWINSTOFN-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](CNc1ccccc1SC)C(C)C	1988767862	NYPJNHGLTULUTB-GFCCVEGCSA-N	237.412	4.503	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H]1CC[C@H](C)CC1	1989811998	LICCFQDBMJVAJV-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cccc(C)c1C	1989819547	STTPJEXXYCFEFD-ZDUSSCGKSA-N	219.372	4.540	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1CC(C)(C)C1	1990098482	OCVXKRVHEOCYPX-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(F)c(Cl)c1F	1993150194	SEQXBCNFXZFRSZ-QMMMGPOBSA-N	247.716	4.609	0	10	BJAE	
CC(F)(F)CCCCOc1ccccc1Cl	1993600534	JBPDKJIJHBCKGW-UHFFFAOYSA-N	248.700	4.544	0	10	BJAE	
C[C@H](N[C@H](C)C(C)(C)C)C1CCC(C)(C)CC1	1996553371	PDHOEXAVHJFPQE-QWHCGFSZSA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)CCCC1(N)CC(C)(C)C(C)(C)C1	1997764727	CVCPXQGGGQFYDN-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)CCC1CCC1	1998032287	NGUXHGLGIQOZQM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H]1C=CCCC1	1998377080	JCTKKMFOHDQURV-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)[C@H]1CCCC(C)(C)C1	2000142275	CVPLXUGTEOXBPH-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCCC1(C(=O)c2cccc(SC)c2)CCC1	2000191362	AVFLKSJFSZJESU-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@H]1CCC[C@@H](C)C1	2000500903	ZVARUQYMQMYOCD-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CCCC1CC1)CNCC	2000506767	BWBKMMQLARFGKC-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@@H]1CCCC[C@H]1C	2000906036	GNCYEUKWJZPQKN-GDBMZVCRSA-N	239.447	4.712	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2001490292	LEEAVZJEDCKGGO-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC)CCCC(C)(C)C1	2002993403	KPWJQHIBSFWZPF-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H]2CC[C@H](C)CC2)C1	2003067436	SNFNCXMJIRRIGT-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](O)C(C)(C)C)CC1	2003101509	XDZSWUXWYJXOON-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CC1(CC(=O)CCC2=CCCCC2)CCCC1	2003179286	MUZDHYNDZCVAJY-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CC=C[C@@H](NCCC)C1(C)CCC(C)(C)CC1	2007691440	SGZHZXKRXVLUFX-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CNC(C)(C)C)C[C@H](C)F	2007841744	AANSXUQSASTATP-ZFWWWQNUSA-N	245.426	4.709	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@H](C)CC(C)(C)C	2007935367	SZONOOVICWGDMW-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCCC[C@@H]1NCCC	2009616097	FZXJWNQNBXFEHP-CFSAUIFESA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CCC(C)C)CC(C)(C)C1	2012042392	UFQNMGKIWCWRHC-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CO)C1CCC2(CCCCCC2)CC1	2013204107	FBPIFEDVIPFAMU-CQSZACIVSA-N	238.415	4.536	0	10	BJAE	
CCC[C@H](C)CNC1CCC(C(C)(C)C)CC1	2013475376	PIRFHQBMJAEBCG-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)C[C@@H](C(F)F)C(C)(C)C	2015380989	XBFCFZPSRJACAX-JQWIXIFHSA-N	248.357	4.555	0	10	BJAE	
CC(C)C1(CC2(N)CCC(C)(C)CC2)CCC1	2017140575	IWUVTRCLXQVRES-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1(C[C@@](C)(N)CC2CCCC2)CCC1	2017145107	YKGLROFCIMGJOD-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCCCN1CCC[C@H]1C1CCCCCC1	2017151695	BHJASFXKYBAILJ-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
CCCC1CCC(C[C@](C)(N)C2CCC2)CC1	2017729169	SZZOIQHRZUVRDH-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@H]2CCC[C@H](C)C2)CC1	2018922594	AKCVVXVIPKSYOQ-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@]2(O)CC(C)(C)CC[C@H]2C)CC1	2018965473	RDRDZXNCKSFLEZ-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)[C@H](CC)CC(C)C	2018990637	NYLJWYNDLDNLQZ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@H](C)CCC(F)F	2019193165	LJIAJTXGFMGDIC-CHWSQXEVSA-N	249.389	4.568	0	10	BJAE	
CCCCCCN(C)C[C@H]1CC[C@H](CC)CC1	2019286034	QEFBWIUKLHCPDI-WKILWMFISA-N	239.447	4.715	0	10	BJAE	
CC(C)[C@H](C)N(C)C1CCC(C(C)(C)C)CC1	2019403172	LONDAVDPTWYBCN-NFOMZHRRSA-N	239.447	4.568	0	10	BJAE	
CC(C)NCCC=CC[C@H]1CCCC(C)(C)C1	2024093296	AHBGOPQRZPEVHK-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@@H]1CCCC(C)(C)C1	2024100601	DNVVILHMIZXHIY-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@H]1CCC[C@@H](C)C1	2026167767	UOVWYHZGSZGEJY-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
CC1CCC(C)(c2nc(C3CCC3)cs2)CC1	2026539062	YZUASGSMCNXOHK-UHFFFAOYSA-N	249.423	4.878	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)[C@@]12CCC[C@H]1C2	2027313093	BVAVLGARYAPFBD-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)c2cccc(C3CC3)c2)CCCCC1	2028561425	AFHYYEFKJIEHCF-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)c1ccc(C2CC2)cc1	2028594029	SPJBYIFLVQEIOU-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CCC(C)(C)C1NC[C@]1(C)C=CCCC1	2030357275	OUCLKAWRTGJQNU-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)c1ccc(C2CCCC2)cc1	2031746816	ROMFDZHQSGUGGE-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CN[C@H](C1CCCCC1)[C@]12CCCC[C@H]1CCC2	2031754090	GXBQKZIJAMHKOV-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)[C@]23CCCC[C@H]2CCC3)c1	2031850499	KDQHIVHGOPOIPG-RDJZCZTQSA-N	242.362	4.538	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C[C@H](C)C1CC1	2032165712	LVCVUGWDJNBNJG-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)c1ccc(C2CC2)cc1	2032478754	NTWHTIADYUGFQA-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](N)[C@]12CCCC[C@H]1CCC2	2032508124	BFWKDGZJIDSHJP-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](C2(N)CC(C3CCCCC3)C2)C1	2033783946	OEBRXCXWYZEJEY-PXZKZTPFSA-N	249.442	4.501	0	10	BJAE	
Cc1coc(C)c1[C@H](N)C[C@H](C)C1CCCCC1	2035534273	PTWDZTZWSBXQIG-XHDPSFHLSA-N	249.398	4.503	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)[C@@H]2CC23CCCC3)CC1	2036100289	JMTHFRYRCKXNDV-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)[C@@]23CCCC[C@H]2CCC3)C1	2037695232	QWQAALRFKHPOGW-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC1(CNC[C@@H]2CC23CCCCC3)CCCCC1	2039059351	TUOWVZJDMVEORI-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CC1CCC(C)CC1	2039441053	JMSFORJJQLKGBD-LUHSLWQASA-N	249.442	4.523	0	10	BJAE	
CCC1([C@@H](NC)c2ccc(C(C)C)cc2)CCC1	2039720874	XVNUCDQULYMYRS-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCC1(C(=O)c2cc3cc(C)ccc3o2)CCC1	2039729380	RFUVHIDNZDBGEG-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CC2)C1)C1(C)CCCCC1	2039861780	ILLYMHUXVBWVPF-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCCC1CCC(NC[C@@]2(C)CC=CCC2)CC1	2042071422	GJQXLKKOZOTXKR-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CCCNCC1([C@@H]2CCCC[C@@H]2CC)CC=CC1	2042093318	FVJPEOHXRUMTKT-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC[C@@H](NC2(C3CC3)CCCCC2)C[C@H]1C	2042948800	MUXVCJFTRTVOOF-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H]2CCC=CCCC2)C1	2045306584	AFMIEFSBYRBBJG-UQPPLGOBSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@H]1CCC=CCCC1	2045310322	NIPFEDKGMUMXNK-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CCC(C)(C)C2CC2)C1	2045561210	DINHFRUEEJIBQG-TZMCWYRMSA-N	248.410	4.764	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1C(C)=CCC[C@@H]1C	2045809356	ZWJARGFDRLTZSH-GVDBMIGSSA-N	249.442	4.703	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048467025	IOAJQLROJVHXMY-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)C2=CCCCCC2)C1	2049538963	CZYBFHJDOLMUEM-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@@H]2CCC3(CC3)C2)C1	2049928384	GUIAQFCWUATCBU-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1CCC2(CC2)C1	2049937904	LGZJHSWDCCKOHU-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@@]1(C)C=CCCC1	2049998498	VYCZDLOLFRMDFI-IRXDYDNUSA-N	243.394	4.556	0	10	BJAE	
CCc1cccc(C)c1NCC1(C)CC(C)(C)C1	2050111828	ZGJOJXNHTRAYHT-UHFFFAOYSA-N	245.410	4.796	0	10	BJAE	
Cc1cccc([C@H](O)CCCC[C@@H]2CC2(C)C)c1	2050429796	KRCRGWICWVHYSJ-HZPDHXFCSA-N	246.394	4.635	0	10	BJAE	
O[C@@H](CC1=CCCCCCC1)c1cccc(F)c1	2050451063	SUPOTHAADNDMIC-INIZCTEOSA-N	248.341	4.530	0	10	BJAE	
O=C(CCC1CCCCC1)[C@H]1CCCCC12CC2	2053361441	XJBMWVOJSODDTJ-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC1CCC(C[C@@]2(CN)CCCCC23CC3)CC1	2053410229	JTQISJHMAFXDIY-VMBOVVBDSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCC(C)CC2)c(F)c1	2056536141	MXGKRNOIOMXGKA-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H]1CCCC1(C)C	2056875099	CSLHNRUFFBLSEY-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(SC(F)(F)F)cc1Cl	2059094269	ZJKDUJGHFJNUEF-UHFFFAOYSA-N	240.677	4.514	0	10	BJAE	
CC=CCCCC(=O)[C@H](c1ccccc1)C(C)C	2059207478	NSKQMTXWPZWUEH-KRWDZBQOSA-N	244.378	4.742	0	10	BJAE	
CC=CCCC[C@@H](O)c1ccc(C(C)(C)C)cc1	2059221325	LXGXIDMYQGMJDS-MRXNPFEDSA-N	246.394	4.764	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H]1C[C@H]2CC[C@H]1C2	2059225508	NXEOFULVQATUPL-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@@]12CCC[C@@H]1C2)C1(CC)CCC1	2061636694	DLKFVRVCIUGFTQ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	2062654435	ZYRBAEITJQKIIS-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)CC1CC2(C1)CC(C)(C)C2	2063202815	CJAWSTHSPCPQJQ-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063520746	QSBCXSKFQJENKK-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2CC23CCCCC3)CCCC1	2067502296	CLBXZWJMVBNAMR-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)c1ccccc1C1CCC1	2068818565	QUJHUFPTNVEVLZ-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc2ccn(CC(C(C)C)C(C)C)c2c1	2068980589	CVKZEHGODXBKRQ-UHFFFAOYSA-N	243.394	4.878	0	10	BJAE	
CCC1CCC(C(=O)C2(CC3CCC3)CC2)CC1	2069580580	KRMALZBSNURZPO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C1CCCCC1)n1nccc1C1CCCC1	2070046992	KOZRASZVORXNAA-CYBMUJFWSA-N	246.398	4.682	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2070951025	LTOCCZJBCCMBAF-OWVAZHOYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@H]1C[C@H]2CC[C@H]1C2)C(C)=C(C)C	2072421295	GCXZYPJCESCMDD-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CNCC2CCC=CCC2)CC1	2072702871	RXUMMIMKQURMST-JCNLHEQBSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)C2CC3(CCCC3)C2)CC1	2072795966	JYPODPXQEAWBQR-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)[C@H]2CC23CCC3)CC1	2072796149	MAACDQXNINFHOR-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)C[C@H]2C[C@H]3C[C@H]3C2)CC1	2072875529	PDCLFDXINSEROR-WQZDSJPGSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](N2CCC23CCCCCC3)CC[C@H]1C	2074801864	JKKWFAUZVKMRPW-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H](C)CN1CCCC[C@H]1c1ccc(C)o1	2075086295	KUAZFIISULQIKV-ZFWWWQNUSA-N	249.398	4.551	0	10	BJAE	
CCNCC1([C@H]2C=CCCCC2)CCC(C)CC1	2075365130	LARVWGWYFACIDQ-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CCN(CC1CCC=CCC1)C1CCCCCC1	2076555832	HTTXNFURIWPIRY-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)[C@H]2C[C@@H]2CC)cc1	2079220936	RREOXJKAQRCXHH-MGBSGCIJSA-N	245.410	4.507	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H]1C1CCCCC1)C1CCCC1	2079530185	NMYCPBDFSLKMSN-YESZJQIVSA-N	249.442	4.514	0	10	BJAE	
CCC(=C[C@@H]1C[C@H]1C1CCCCC1)CNC(C)C	2079660996	OAZVEQLABAVTJH-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
CC1(N)CCC(C[C@@H]2C[C@H]2C2CCCCC2)CC1	2079703828	XAKAXZHFSHNJBH-YTWPKEEVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC(C)C)c1cc(C)cc(C)c1C	2082929845	JZLIVSXVOUXEIG-QGZVFWFLSA-N	247.426	4.699	0	10	BJAE	
CC1(C)CC(C=C2C[C@@H](N)C2(C)C)CC(C)(C)C1	2082988311	UXPGTIMZJFFOOS-CQSZACIVSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2CCC=CCCC2)C1	2083041439	NWYNNLQWAHEGBL-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CCCCC[C@@H](CC)Oc1cc(C)c(C)cc1N	2086288487	FWGPCZGUJFHQDJ-CQSZACIVSA-N	249.398	4.623	0	10	BJAE	
Cc1ccc2cc(CC3CC(=C4CC4)C3)ccc2n1	2125725483	RTXUCBZJUNXVQR-UHFFFAOYSA-N	249.357	4.586	0	10	BJAE	
CCC(CC)(CC)C(=O)CCCCC(F)F	2212254410	JBYQSWVLPWPYBG-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
C[C@H](CCCCCCC1CC1)[C@@H](C)NC1CC1	2213576497	QHINGRWIKJWBFF-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CCCCC1CC1	2214570815	UYDDGFORYQTBJY-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@@]1(N)CCC[C@H](C(C)(C)C)C1	2216247282	KXHJZAONOGOXDE-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](CN[C@@H](C)CC)CC1(C)CCCC1	2217149851	KRXUQIJNWYEQHV-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(C2(N)CCC(C3CC3)CC2)CC1	2218896673	LFQQVWPBBXAWNU-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CCC1(N)CCC(C2CC2)CC1)C1CC1	2218899408	WOQYZZCTKCVBOJ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](C)Oc1cc(C(C)=O)ccc1C	2220726111	UTMUWROHQALXRF-CYBMUJFWSA-N	248.366	4.545	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC2CC(C3CC3)C2)CC1	2221641155	SIKLVDVEXOGYDN-PUJMQQBBSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H](N[C@@H]1CC=C(C)CC1)c1ccc(C)cc1	2221667534	VFBFBMRSOPMROM-IAGOWNOFSA-N	243.394	4.535	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2(CNC3CCC3)CCCC2)C1	2223549103	SDHQXYQJKNSBRD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C1(CNC2CCC2)CCCC1	2223594701	MOOIVUHPNHRGOU-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCC(=O)c1ccc(C2CCC2)cc1	2223682454	YQWZCKFPDHHOTG-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)c1ccc2occc2c1	2224177909	KCXDKOMXJRXFBP-IUODEOHRSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@](C)(O)CCCCC[C@@H]1C[C@@H]1C	2243908846	SFBZSZTVRSNCLB-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H](CC)CCC	2244782396	MMXKBSSMFZQREJ-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCCC(C)(C)C)NC	2244784974	WNXGKHMYDKOIHE-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCCC[C@@H]2N)C1	2246657269	RBAHOEDABFNBKG-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC1CC2(CCCC2)C1)NCC	2246814081	LPRONKIWCARZPV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC[C@@]1(O)CCC[C@@H](C)CC1	2247130014	RXRRKDVJKMDURB-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H]1C[C@H]1CCCCCCCC1=O	2247395636	AEOWZLSHWSFECL-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC1(CC(=O)c2csc(C3CC3)c2)CCC1	2248066401	YDIQMJIPYMDYBO-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CC(C)c1ccc(NC2CCC=CCC2)cc1	2249283062	COCDGTQMXUTZFK-UHFFFAOYSA-N	229.367	4.721	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1CC[C@H](CC)CC1	2250360537	HXBWXQSNANZMBN-RBSFLKMASA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNC1CC(C)(C)C1	2250531612	ZIBQJQWOLFVHTJ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@]12CCCC[C@H]1CC2	2251171843	QBZJYAVXRDFBDY-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
O[C@@H](C=C1CCCCC1)C[C@H]1CCCCC12CC2	2253783411	MXRJHLLGXHUGHC-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(NCC[C@H]2CCC[C@@H](C)C2)c1	2253968061	IGVNOIPPVZKEEM-GDBMZVCRSA-N	245.410	4.877	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@@H]1C)[C@@]1(C)C=CCC1	2254527514	FQNFOFGMHADUEL-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CCC2(C)C)c(C)c1	2254957322	FILGVYPHOVTSSI-CQSZACIVSA-N	244.378	4.621	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@@H]1CC1=CCCCC1	2255137624	PTYUDIUKWQEYTO-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1(CNCC[C@H]2CCCC23CC3)CCCCC1	2255244601	ZNRBMLRCXDVMJR-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCc1ccc([C@H](C[C@@H](C)C(C)C)NC)cc1	2256291493	FLVCSIHUZKBION-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@@H]1CC[C@H]2C[C@H]12	2257283418	MVNPYFDQJOZJBI-JLHDYFKBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)C=CCCC1(C)C	2257302929	KTQVVSPOEJHFKV-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@]23CCC[C@@H]2CC3)CC1	2260537754	KYMVZQLAOXIIEW-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CN[C@@]12CCCC[C@@H]1CC2)C1CCCCC1	2260639101	REWVEAMHBYHJIL-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
CCCCN(C1CCCC1)[C@@H](C)CC1CCC1	2298877444	BXUWCGPFBVMMGX-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC(C)(C)CC[C@H]1N	2300685440	FLQQTQLWRDEJEI-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CCC[C@H](O)c1ccccc1C	2300707148	YEXJNALNSQIIEM-INIZCTEOSA-N	234.383	4.635	0	10	BJAE	
CC[C@]1(C)C[C@H]1NCC=C(C)CCCC(C)C	2300860517	IIENCHJOQAGRTA-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
c1sc([C@H]2CCC23CCC3)nc1CCC1CC1	2302265807	XXMFMBVDTOICCQ-CYBMUJFWSA-N	247.407	4.533	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CCCC1=CCCCC1	2302346475	HKHUCSUWSXXBOG-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC[C@H]1CCCC[C@@H]1N	2302512077	BJIVXJCCWKTULH-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@H](O)C[C@@H]1CCC(C)(C)C1)C(C)(C)C	2302673475	XXHNQXWESQAFQX-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC(C)(C)C1)C(C)(C)CC	2302902601	RCYMPIAFERRFCE-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1CC[C@H]1C(C)(C)C	2303460858	FAOGNYVMDKWDNK-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC[C@@H]2C[C@H]2CC)C1	2303609556	OCTMMLLXROYSHI-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC12CC(CC(=O)c3cccs3)(C1)C2	2304384939	RECSUFWAXNZIEG-UHFFFAOYSA-N	248.391	4.537	0	10	BJAE	
CCN(CC[C@H]1CCC(C)(C)C1)[C@H](C)C(C)C	2304414806	CHMKUZFINWXMRE-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@H](C)[C@@H](C)CC[C@H]1CCC(C)(C)C1	2304439430	JVIWMBICCSYYCH-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)[C@H]1CC12CCCCC2	2307893907	PASQYBGODXNRCV-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCC[C@@H]2CC[C@H]12	2309517260	CUKINQNIGRFZQS-KMFMINBZSA-N	243.394	4.630	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H]1C[C@@H](C)c2ccccc2N1	2311573223	FAJDZJNJTPUFJJ-APIJFGDWSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2313291942	FOPXHNQJTJVARH-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCC1)C(CC1CC1)CC1CC1	2313703218	AEAPQNSXTJXNNY-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC(C)C)c1ccc(C)c(CC)c1	2314714358	YRUXMXOHXBPSNH-QGZVFWFLSA-N	247.426	4.644	0	10	BJAE	
CC(=CCN1CCC[C@@H]1C1CC1)CCCC(C)C	2316519510	YBISYIXWTKOCJT-QGZVFWFLSA-N	249.442	4.633	0	10	BJAE	
O=C(CC1CCCC1)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316875217	VMELLZTWRGUECL-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1ccc(F)cc1C1CC1	2317066169	BAQXIWRINLXWPM-MEDUHNTESA-N	249.373	4.529	0	10	BJAE	
CC[C@@H](c1nc2ccc(C3CC3)cc2[nH]1)C(C)C	2317133280	SCFICQNGLUGTKL-CYBMUJFWSA-N	242.366	4.590	0	10	BJAE	
CCCCCCC(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317159507	ZDQPFQKUYNBKLQ-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CCc1ccc([C@H](C)N[C@H](C)[C@@H](C)C(C)C)cc1	2317663502	HEWUAJJYRJEWGZ-ZNMIVQPWSA-N	247.426	4.580	0	10	BJAE	
CC(C)c1ccc(F)cc1NCCC[C@H]1C[C@H]1C	2317923073	POJBKNVVPSQJDX-OLZOCXBDSA-N	249.373	4.797	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H]1CC(C)(C)[C@H]1C	2318286703	WKCUUBDGBQWIPR-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC(NCCCC2=CCCCC2)C[C@H](C)C1	2318530975	GTCREKXPRHXABS-HUUCEWRRSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](CCCC1=CCCCC1)NC	2318537366	FBQUTYJQBADTBA-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CCCC3(CCC3)C2)CC1	2320232131	KOYSOHJLGRUUST-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCC(C)=C(C)C2)CC1	2320411746	LJWVVNKVCNQWCM-IAGOWNOFSA-N	247.426	4.731	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)C[C@@H]2CC2(C)C)c1	2327673005	KUWYGKLHZDPNCW-CJNGLKHVSA-N	245.410	4.554	0	10	BJAE	
CCCCC[C@H](C)Nc1ccccc1CC	20565639	LRZMNPOYYSCURF-ZDUSSCGKSA-N	219.372	4.630	0	10	BJAE	
C=CC[C@H](Nc1ccc(Cl)cc1)c1ccco1	34547042	TVCOTNOKKGIGHH-ZDUSSCGKSA-N	247.725	4.662	0	10	BJAE	
CCCCC[C@H](C)NC1CCC(CC)CC1	35135674	ONDDIVNTBDRPNB-NFOMZHRRSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@]1(O)CCCC[C@H]1CCCC	62722076	DDMHYMPKMMODTE-CABCVRRESA-N	226.404	4.678	0	10	BJAE	
Cc1c(C)c(C)c([C@@H](O)[C@@H](C)C(C)C)c(C)c1C	70126061	RPFVRFRMHVNSAR-BTDLBPIBSA-N	248.410	4.554	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC(C2CC2)C2CC2)CC1	86923164	ZSXLFMMMOPVWHL-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](N)C2CCCC2)cc1	90482671	ILEMWRUAUNDSGD-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CC[C@H](C)C(=O)c1ccc(Cl)c2ccccc12	93655828	HVKCARNDUCUWNC-JTQLQIEISA-N	246.737	4.722	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC[C@@H](C)C1	103993848	WCVWCPONKAIHOX-DOMZBBRYSA-N	231.383	4.548	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)c1ccc(C)c(C)c1	111647490	VZTLJBNBZCYTGW-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@H](C)C(C)(C)C)cc1	111654127	VOISAAOACHQINQ-BBRMVZONSA-N	248.410	4.916	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](O)CC2CCCCCC2)C1	125940503	VFQPWXPJYAXBGB-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H]1CCC(C)(C)C[C@@H]1C	155977538	ZQNDYRHOSAAXET-BYNSBNAKSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)c1coc(C)c1	161020455	XBVWUZROZBHVTM-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC1=CCCCC1	161035367	GSEVHYIYUFASKY-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CC(C)CCCNc1cccc(C(F)(F)F)c1	165172815	GYGCAJWCRAZVCX-UHFFFAOYSA-N	245.288	4.554	0	10	BJAE	
CCC(CC)(CNC1CC1)C1CCCCCC1	168042733	AZXJOEPWZVYZQF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@H](N)c1cc(C)c(C)cc1C	168698747	MDKZMBKTTOHDCI-KRWDZBQOSA-N	247.426	4.828	0	10	BJAE	
CN[C@@H](CCC(C)C)c1cccc2ccsc12	211149903	LNQGZMDFXJVCQW-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CC[C@@H](C)c2ccccc21	228158488	SLMXCFDKKSLECJ-JJRVBVJISA-N	245.410	4.564	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](N)(C2CCCCC2)C1	230787734	ZYYUEUKEEDVRHD-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc2[nH]cc(C3CCC(C)CC3)c2c1	232822964	OFXXOIUKCPYWDB-UHFFFAOYSA-N	227.351	4.770	0	10	BJAE	
CCCC[C@@H](CC)[C@@H]1CNc2ccc(F)cc21	232985223	CBCJSTDIPDKXJV-RISCZKNCSA-N	235.346	4.551	0	10	BJAE	
CCC[C@H](CC)Nc1c(C)cc(C)cc1C	233347906	DFATVWZJEZUOFK-AWEZNQCLSA-N	219.372	4.602	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCC[C@H]1C(C)C	250834870	UCPWWAQRARXMNS-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CC[C@]1(C)Nc2ccc(Cl)cc2[C@H](C)[C@H]1C	258119751	JMDDEOQLKLXSLV-RULNRJAQSA-N	237.774	4.674	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)C)c1ccc(C)cc1C	302262897	CBCDHSSLTUVXQX-RHSMWYFYSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCCC(C)(C)C)CC1	302284352	JVUBYIPUEYXOFQ-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@@H]2C[C@H]3CC[C@H]2C3)CC1	302410215	PTKCDJBEZTWLPO-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1cc(C)c(C)cc1C	302429213	RXROBOGSCWRQSU-SJKOYZFVSA-N	247.426	4.699	0	10	BJAE	
Cc1cc(NC2CCCCC2)c(Cl)cc1F	304303003	BLMJOEWYTVKGKN-UHFFFAOYSA-N	241.737	4.532	0	10	BJAE	
Cc1ccccc1[C@@](C)(N)CCC1CCCCC1	305895192	DQSDFOKAZBCSFX-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CSc1cc(C)cc2cc(Cl)sc12	306955980	QWJGIQDMONKQLR-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1c(Cl)ccc2cc(Cl)sc12	307378869	XECRETBYBSEKCL-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1cc(C)c(C)cc1C	308051882	FJFCURNWRXEPOM-HNNXBMFYSA-N	246.394	4.867	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1)[C@H](CC)CC(C)C	308053920	AOQKAZFTDBPVEB-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CC(C)c1cccc(NC[C@@H](C)C(C)C)c1	309841566	PTRYCXRHVVCTGX-CYBMUJFWSA-N	219.372	4.514	0	10	BJAE	
C[C@@H]([C@H](O)c1ccc2ccccc2c1)C(C)(C)C	310697397	BIXBQJAZVDUPJH-LRDDRELGSA-N	242.362	4.555	0	10	BJAE	
CC(C)C1(CN[C@H]2CCCC23CCCCC3)CC1	313020165	AENSGYQERCOBBI-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](O)(CCC)C1CCCC1	313395273	HCEWKJFBTJEMOE-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CC[C@H]1CCC[C@](CCCC(C)C)(CNC)C1	317253555	UMWSRQQJKLSWRY-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@](C)(CC)C1CCC(CC)CC1	318672393	VXXRIOUVWHFBAF-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@]1(CNC(C)(C)C)CCCC[C@@H]1C	318715695	KDELNMBRTCYRGI-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC[C@H](C)CNC(C)C	383185950	NVASPXNNENVVDJ-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCCC1([C@@H](N)CCCCCC(C)C)CC1	383265064	MKUMWBWLCOZTND-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC1(C[C@@H]2C[C@H](C(C)(C)C)CCC2=O)CCC1	383931068	SPRKUQHQIMGWPU-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CCC1CCCCC1	384871481	GJCZCIOBQZXZQJ-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(C)c([C@H](C)Nc2cscc2C)c1	387304304	KNDQUAUCUXFAHB-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CC(C)CC(C)(C)CNCCC1=CCCCC1	391187369	TVJZOJLYQJYWAX-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](c1ccccc1C(C)C)[C@@H]1C[C@H]1C	394135144	GYMSWDDGQHYHNK-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
FC(F)c1cccc(NC2CCCCCC2)c1	395449309	YZYIGZGWBQDFQX-UHFFFAOYSA-N	239.309	4.759	0	10	BJAE	
CCOc1cccc2c(C)c(C(F)F)sc12	396239063	KBCXRGXMCRUGTM-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCOc1cc(C)c2sc(C(F)F)cc2c1	396254020	VYTBMQOFBUWMGX-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1c(C)sc2cc(C(F)(F)F)ccc12	396307639	RKOIFMABBJSDHW-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CN[C@H](c1cc(C)c(C)cc1C)[C@H](C)C(C)(C)C	399259876	LDDSYDNLMBWVEM-HOCLYGCPSA-N	247.426	4.555	0	10	BJAE	
CCCC1([C@H](O)[C@H]2CCC[C@H](CC)C2)CCC1	686921759	LTICVVDBDUBKPR-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@@H](C)CC	688921740	QVOVZVKIYOXAHN-BBRMVZONSA-N	233.399	4.507	0	10	BJAE	
CCCCCC[C@@H](N)c1cccc(C(C)(C)C)c1	691649835	GGTXFHKUGSJXHP-MRXNPFEDSA-N	247.426	4.954	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCC[C@@H]1C1CC1	695813850	ZBBGZADLIVBKTM-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)c1coc2ccccc12	696204971	FUIKABQMHIBWEY-CQSZACIVSA-N	245.366	4.520	0	10	BJAE	
CCC[C@@](N)(CCC(C)(C)CC)c1ccccc1	696677629	KDYGSPPIVKPOOX-QGZVFWFLSA-N	247.426	4.857	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)CCC1CCCCC1	699754693	GTJOWSQQECTHHE-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C1CCCCCCC1)C(C)(C)CC	701098462	CJSUFPWJGUKFAE-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCOc1ccc(NCCCCC(C)C)cc1	703981073	YCLWWMBYMTYNHB-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCCC[C@H]1C)C(C)C	704877589	INWSRSZTBUBMEY-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1([C@@H]2C=CCCCCC2)CC1(C)C	705298741	AJNFCUFSYPYGGD-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCC[C@](N)(CCCC(C)(C)C)C1CCC1	705351054	NUERKBVIMXXEMS-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(C)CC[C@H](NCC[C@H]1CC=CCC1)C1CC1	706867966	LLFOSAOIJZTIRC-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@H](C)CC(C)C	708306220	ZTXQPEMCPLSGCT-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)(CC)N[C@H](C)[C@@]12CCCC[C@@H]1C2	709088517	XALCRNMVNOWZAP-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC(N[C@H]2C[C@H]3CC[C@H](C3)C2)CC1	711168715	PRTUGXRDKZLYHX-QZRVTLOJSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C12CCC(CC1)C2	711190589	YOPHMXCKJUYOIY-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1CCNc2ccccc21	713137842	BWEFRUJPSWPRML-ZDUSSCGKSA-N	231.383	4.658	0	10	BJAE	
CCCC[C@@](CC)(CNC)CC(C)(C)CC	713246781	WNNOXHRKTQBYJW-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
C=C/C=C\CCC(=O)C1CCC(C(C)C)CC1	713720917	DPSIKJFRDDIGTB-WAYWQWQTSA-N	234.383	4.540	0	10	BJAE	
CC/C=C/C[C@H](C)c1ccc(C)cc1C	714521923	LNAWFJVVILLXDZ-YBJDMEARSA-N	202.341	4.763	0	10	BJAE	
CC(F)(F)CCC[C@@H](O)CC1CCCCCC1	718704136	OVRVUIKZZQRNGS-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC(C)Oc1ccc(CC2CC2)c(C(C)C)c1	725382701	NGCUOIGMXPMCQQ-UHFFFAOYSA-N	232.367	4.550	0	10	BJAE	
C[C@@H](NC[C@H]1CCCCC1(C)C)c1ccccc1	1168765833	MYFVCZUORZPWSL-GDBMZVCRSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1cccc(CN2CCCCC[C@H]2C)c1	1193575511	NWGZLYOIPPFSAS-OAHLLOKOSA-N	245.410	4.575	0	10	BJAE	
CC1(C)CCC[C@@H](NCC2(CC3CC3)CC2)CC1	1308504840	OJBWMYSFIJHXRB-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCc1cc(F)ccc1C(F)F	1900771195	XNWWOVYFTPNLOI-UHFFFAOYSA-N	228.257	4.662	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CC[C@H](C)CC1	1905443591	IKHRXWDOPHOYQW-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@](C)(O)CC[C@@H]1C[C@H]1C1CC1	1910051372	LOAWDWGHPGSCOJ-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@](C)(CC)CNC(C)(C)C	1910744088	GDNJRDKQNWLPRJ-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CCC)C(C)(C)C	1910748817	QLEWLJWDMOFHQE-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)CC1CCCCCC1	1910807550	JDCNSEVQQUISTO-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
CCC=CC[C@@H](CC)c1ccc(F)cc1	1911878228	GTKAIXSZCYPJPE-GFCCVEGCSA-N	206.304	4.676	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@@H]1CCC[C@H](CC)C1	1911940752	ZDMOKRNNBNFVFG-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
Cc1csc(C)c1C(=O)C1CC2(CCCC2)C1	1912601986	MTWABDPGBKIVBU-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H]1C[C@H]2CC[C@H]1C2	1919970424	RMGYFXGNOHLNNM-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1(CNC2CC2)CC(CCC)C1	1921279403	NWBWSRVZSYXDJL-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H](C)C1CCCC1	1923914809	YQUIXBKKLKDBIU-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@](C)(CN)C1CCCCC1	1924084080	QTCCEMOHXXYARL-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC[C@H]2C=CCCCC2)C1	1925819074	HHAQLQSNRPCZFP-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@H](N)C[C@H]2C=CCCCC2)C1	1925916631	VHOBSOGSXFFELE-NNXHMXCWSA-N	249.442	4.523	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@@H]1C=CCCCC1	1925946461	UACFVOMVYUUOKT-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCC(C)(C)C[C@@H]1CN	1927160920	KPXKZNBVDBCTJU-UONOGXRCSA-N	239.447	4.604	0	10	BJAE	
CC1(C)CCC(=CCCCCC2CC2)[C@H](CN)C1	1927175991	HIDGPEPCRXMNPM-INIZCTEOSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(O)CC1(C)CCCCC1	1940409705	PKETYAXYHOSUQZ-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC[C@H]1CC1(C)C)CC(C)C	1940872653	NYEPZZDLIAXFIP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC1(CCC[C@H](O)CC2CCCCCC2)CC1	1940874961	WEABWVCMSWLTBI-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C1CCCCCC1	1940880237	HEDOFGXGNVMKGF-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCCC2(C)CC2)C1	1940883549	UXHRKFDWLHPZRX-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
C[C@H](C[C@](C)(F)c1ccc(N)cc1)C(C)(C)C	1940973283	JUXAJLQWANKHNM-ABAIWWIYSA-N	237.362	4.526	0	10	BJAE	
CC(C)Cc1oc2c(ccc3sccc32)c1O	1941157708	STBLESMWURHPSK-UHFFFAOYSA-N	246.331	4.552	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)CCCC1CCC1	1941461829	AWQFTPCVVRJXOF-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1C[C@@H]2CCCC[C@H]21	1941719416	YTEGVGJRTSHQOT-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](C)C(=O)c1ccccc1	1942663619	UDNLFGXYUFDZQG-KGLIPLIRSA-N	232.367	4.578	0	10	BJAE	
Cc1cccc2c1ccn2[C@H](C)CCC(C)C	1942663665	UJOKWWYCZAQODB-CQSZACIVSA-N	229.367	4.947	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C=CCCC1)C(C)(C)C	1947594111	VLMTVWKYEQZVIS-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCC(C)(C)C[C@@H]1C	1949047228	OYWUTGIZIASOGU-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)C(C)(C)C2CCCCC2)C1	1949493539	OFCJSHILKAGYOU-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@H](O)CC1CCCC1	1949870295	OIYZTHPFSMQDAY-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cccc(C2CC2)c1	1950107233	CBUXKKGAAAOWQJ-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
C[C@H]1CCC[C@](CO)(C2CCCCCC2)CC1	1950908275	LVWIHOVEGHNTRP-HOCLYGCPSA-N	238.415	4.536	0	10	BJAE	
CCCCCC[C@]1(CNC)CCC[C@@H](C)CC1	1950929161	FCXRYZKLJIJFDJ-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CC1(C)CCCC[C@@H]1CNC1CCC2(CC1)CC2	1970081655	HUDZREVEFMBNAC-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CNC2(C3CCCC3)CC2)CC1	1970500342	PTMNLRASQCQTBU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@H]2CCCCC23CC3)CC(C)(C)C1	1972725133	KBXMSTADUPJQCO-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CC(C)(C)SC	1978449675	CFSWZEMMBHGHFV-GFCCVEGCSA-N	244.444	4.694	0	10	BJAE	
CCCCC[C@@](C)(N)C1CCC(CC)CC1	1980255333	NEMSWZHJPVEGGQ-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cc(Cl)ccc1F	1989824409	PCVKYCYETCFVCI-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CCCC)NCC	1995261172	BLTHJIGLIFOJMG-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CC1CCC(N[C@@H](C)C2(C)CCCCC2)CC1	1995990841	KQNVPPDHACKDLF-SLTAFYQDSA-N	237.431	4.514	0	10	BJAE	
CCC[C@]1(C[C@@H]2CC[C@@H](C)C2)CCCCCN1	1996259455	HLSSTFCXIXPPFC-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CC[C@](N)(C[C@@H](C)C1CCC1)C1CCCCC1	1996570748	QFETYKSVUAVWSN-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@@]1(N)CCCC2(CCCCC2)C1	1996648093	VSCVGQDJESSWGX-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@@]1(C)CC=CCC1	1997551862	NOXZZHAKSAZFOD-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCCC1CC1)CCCC(C)(C)C	2000383231	VZMYOAASYFPQML-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCNCC(CC)(CC)CCC(C)(C)C1CC1	2000500447	VAYHBQZFRPFCLT-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@@H]1CC=CCC1	2000515951	ULMBIXNDVQGTDD-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CC12CCCC2)C(C)(C)C	2001250093	JKWFMQBOFRLASW-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC1CCC([C@H](C)NC2CCCCC2)CC1	2002926776	QXZVQHGUZWOAHR-NFOMZHRRSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@@H]1CCCC2(CC2)C1	2003198345	QPVLRFGIWWXVFC-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)C1(C2CCC2)CC1)CC(C)(C)C	2004539329	WTJVQBUBQBJEFZ-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CN)CCCCC12CC2	2005602872	VEYGSSFEZVBWGV-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CC(C)(C)CC)[C@@H]1C	2006981978	RMOJFVOSZWSTCQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C)(C(=O)[C@@H]2CCC2(C)C)CC1	2007682301	XUORBLBTZFCJJB-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)C2CCCCC2)CC1	2007695891	KQYGLUGJNMTKHE-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC1([C@@H](N)C=C2CCCC2)CCCCCCC1	2007940158	OJSBCOIFHVORHU-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H](C)CC(C)(C)C	2007947219	QSOWLSMAUYKSGZ-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC([C@H]2CC[C@@H](C)CCC2=O)CC1	2009412347	XIDPGECQOOEJOX-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C1=CCC(C)(C)CC1	2010726155	NVUXFCDMWVOKEM-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC12CCC(CC1)C2	2012835623	YQMZFPQLMAXYTR-SLTXQBBLSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)CC(C(C)C)C(C)C	2015272187	CJBQMDANNVNPMW-HOCLYGCPSA-N	242.447	4.738	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CC(C(C)C)C(C)C	2015398995	LVXHDSHXZGSMTG-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC1(CC)CCC1	2015598708	YMVLYHIFNKQUAS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CC1(CCC)CCC1	2015631209	DWKGWRQLFQUUKM-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H](C)N(C)CC1(C(C)(C)C)CCC1	2017128679	GAKGPGOBTLANDR-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@](C)(O)C(C)C)CC1	2017711275	BEFBKPPZILXCPB-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CCC2(C)C)CC1	2017771461	LADHFLKWTURTQV-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@@H](C)CC[C@@H]1C	2018074536	JRVVTPXEPPDVOF-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@](O)(CC)CC[C@]12CCC[C@H]1C2	2018128476	AWPCBGRISVPNMO-HRCADAONSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(N)CCCC(C)(C)CC1	2022501982	MHFCFMIVXXTZSM-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1CC1CCC(C)(C)CC1	2024604437	CCVOCINCVNHLHW-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCC1CCCC1	2026147967	VVPBQLOGEDNHCO-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC1(C[C@@H]2CCc3ccccc3N2)CCCCC1	2027302731	XLKVKZCAMCJXAK-HNNXBMFYSA-N	243.394	4.774	0	10	BJAE	
Cc1ccc([C@](C)(O)CC2(C)CCCCC2)cc1	2027311171	IBVOMDLJCXINLH-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CCc1ccccc1N[C@@H]1[C@H](C)CC[C@@H](C)[C@H]1C	2027793409	MHSQJIBBLMQKFJ-VMUDFCTBSA-N	245.410	4.732	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)c1occc1C	2027822482	RBICJXCQTYANIM-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)[C@]12CCC[C@@H]1C2	2027844199	XQBPNDADOFANHF-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@]1(CC)Nc2cc(C(C)(C)C)ccc2O1	2027863349	MBFSHMCXVBSVLG-INIZCTEOSA-N	247.382	4.695	0	10	BJAE	
CCCc1oc2c(C(C)(C)C)cc(C)cc2c1O	2028129330	JMTQUMHPAXNOQI-UHFFFAOYSA-N	246.350	4.697	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@@H]1CC[C@H]2C[C@H]2CC1	2028963322	BMGFMPCAGRFHEO-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)C2(C)CC(C)C2)cc1	2029104363	IOGGWQIVTSHBOV-RMXWBMAESA-N	246.394	4.670	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(N)CCC1CCCCC1	2029601126	SGQBZOBOZRBDGH-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@H](NCC)C1C[C@@H](C)C[C@H](C)C1	2030232099	XWHCGLFYHMHRMC-ZOBUZTSGSA-N	249.442	4.559	0	10	BJAE	
C[C@H]1CC(C(=O)CC2CCC=CCC2)C[C@H](C)C1	2030232710	BSZFGNWGMPWCEH-ZIAGYGMSSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@H]1CC(C)(C)CC2(CC2)C1	2030286893	FHUMKRCUJBMABE-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@]12CCCC[C@H]1CCC2	2031847326	ZXPMASDZCWQRGA-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC1[C@H]2CCCC[C@H]12	2032814310	AIGQJVLSUAWCTO-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCC1	2033061801	XMCAETJDCWCZEP-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(N[C@H]1CCC12CCCCC2)C1CCCC1	2033152350	KKMQVQYNDYTZCO-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(N)C[C@@H]3CCCC[C@@H]3C2)C1	2034160692	OGLNEYDDXYSBCA-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CCC3(CCCC3)C2)c1	2037672188	LGFVRBHRIIALTK-OAHLLOKOSA-N	242.362	4.538	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2037681124	CXAFJTPVVBDLID-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC(C=C2CCC[C@H](CCN)C2)C[C@H](C)C1	2038876825	PHQYTYZFCABEDE-RBSFLKMASA-N	249.442	4.524	0	10	BJAE	
CC1CC(C)(CNc2cccc3ccccc23)C1	2038896820	GMOQOKHHVIJYKR-UHFFFAOYSA-N	239.362	4.688	0	10	BJAE	
Cc1cccc([C@H](O)[C@@H]2CCC[C@@H](C)CC2)c1C	2039359725	MLEXPULRSZFXLW-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
CCNCC(=C[C@@H]1CC[C@@H](C)C1)C1CCCCC1	2040168390	GWQCCIBCKKCTKS-HUUCEWRRSA-N	249.442	4.539	0	10	BJAE	
CCNC[C@@H]1CCC[C@H]1C[C@H]1CCC=CCCC1	2045328337	DLFHWYMCVIVRJG-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CC1CC2(CC2)C1)C1(C)CCCCCC1	2045732781	LOEFCNBUHFARNQ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@](C)(CN)CC(C)(C)c1ccccc1	2045983870	IIQDDSZHQNYUFB-KRWDZBQOSA-N	247.426	4.510	0	10	BJAE	
C[C@H]1CN([C@@H]2CCCC(C)(C)C2)c2ccccc21	2046566250	RBZZMPCJCNQKKI-UONOGXRCSA-N	243.394	4.579	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)C[C@@H]1CC12CCCCC2	2047006846	DTSARPMDNHFSOM-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]3CCCCCC[C@@H]32)CCCC1	2047437506	MBBXXQQSHQZSSW-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
O=C(C1CCCCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2049198832	SJVIEJMTIKJNNP-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CCCC1CCC([C@@H](C)NC[C@@H]2C=CCC2)CC1	2049424685	JVXPDUXOTCKPQH-KZYLPZIUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@](CN)(CC2CCC=CCC2)C1	2049489151	AZYJWUFUWYDQPC-KRWDZBQOSA-N	249.442	4.668	0	10	BJAE	
C1=C[C@@H](NC2CCCCCCCC2)CCCCC1	2049641679	KFQDXIRPKGLWFZ-QGZVFWFLSA-N	249.442	4.968	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H]1CC[C@H](C)CC1	2049687676	WGICVOTXRAESJK-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1CCC2(CC1)CC2)c1ccc(N)cc1	2049848760	LNOBPCSACXASEX-ZDUSSCGKSA-N	243.394	4.733	0	10	BJAE	
CC(C)C1CCC(N)(C[C@@H]2CCC3(CC3)C2)CC1	2049850696	ZQZVYYITIRGSHY-HPUBIQBYSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C[C@@H](C)CCC(C)C)c1cccc(C)c1	2050465147	QWLYPNGAWKUICB-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
C1CCCCC(N[C@@H]2CCC[C@@H]3CC[C@@H]32)CCC1	2052281900	UYZIIXHSNPCDAS-HYVNUMGLSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CCCC[C@@H]1F	2055260283	CZNXLQSJVRPXBV-GJZGRUSLSA-N	248.341	4.521	0	10	BJAE	
Cc1ccc([C@@H](N)C2(C)CCC(C)(C)CC2)cc1	2056556862	NHRYIFVDPRXHLJ-OAHLLOKOSA-N	245.410	4.601	0	10	BJAE	
CC1CCC(CC(=O)C2(C3CC3)CCCC2)CC1	2057599902	XYLMHLGYZPYJAC-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H](C)c1ccccc1	2059224408	AGYHMRLQSNIDAU-NVXWUHKLSA-N	245.410	4.515	0	10	BJAE	
CCN[C@H](CC1CC(C)C1)C1=CCC(C)(C)CC1	2061146002	CYLAFQZQMJKBRM-ZBCRRDGASA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1NCC[C@]12CCCC1(CCCCC1)C2	2061513350	RCOSWHFVEOCZLU-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(NCC[C@@]23CCC[C@@H]2C3)CC1	2061575148	PBZDXKPOQTWIGY-RDHHWEPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)(C)C)C1CC(=C2CC2)C1	2061648498	XJTSRLQFTQPETM-LRDDRELGSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CCCc2ccoc21	2062958085	XBQRVEPROZKOTH-HUUCEWRRSA-N	249.398	4.606	0	10	BJAE	
CC(=CCCNCC(C)C)CC12CCC(CC1)C2	2065338226	FQPGHBAFQBESNQ-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](CC12CCC(CC1)CC2)c1cccc(N)c1	2065339641	NQWSZVQEVGRWPT-CBCUQQMYSA-N	243.394	4.733	0	10	BJAE	
CCC[C@H](NC[C@H]1CCC1(C)C)c1ccccc1	2068239939	QNSFPKVWMPWBFC-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C)c(C(=O)CC(C(C)C)C(C)C)c1	2068986045	FDAINNNTDFFRIY-UHFFFAOYSA-N	246.394	4.804	0	10	BJAE	
CN(C[C@@H]1CC12CCC2)C1CCCCCCCC1	2069137265	XNGBCMYTEJLYOD-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCNCC1(C[C@@]23CCC[C@H]2C3)CCCCC1	2070962827	LQVRLZPTDNOHBK-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)C1(CC(=O)C2[C@@H]3CCCC[C@@H]23)CCC1	2071912459	GCPHMNYMXQYKOP-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CCCC(CCC)C(=O)CC1CC2(C1)CC21CC1	2072228495	MVGQXSZTGNMXQO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@@H]2CCC3(CCCC3)C2)CC1	2072661588	WEEPFYFCFCRJDJ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@]2(N)CC[C@H]2C2CCC2)CC1	2072806419	LTMNXAVBIBOMOC-YQEWQEHLSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1OC[C@@]12CCCC[C@@H]1C2	2074092175	VMAPGIHSLRTBGT-PBHICJAKSA-N	244.378	4.769	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@]23CCCC[C@@H]2C3)CC1	2074113446	MHSOUKRZZDSGTJ-VVBDHPJYSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(N2CC[C@@H]2C2CCCCC2)CC1	2074856425	JAJRVFBQBKIKMH-BDVYOWHSSA-N	249.442	4.610	0	10	BJAE	
CCC1CCC(N(C)[C@@H]2CCCCC23CC3)CC1	2074863090	NXCQSDSIBWURES-UYSNPLJNSA-N	249.442	4.610	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H]1C[C@@H]2CCC[C@@H]2C1	2077198263	ZKYZZJIYZNNSNZ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CN(CC=C1CCC1)[C@@H]1CCC2(CCCCC2)C1	2081803949	GCIVFNAQEQQCHM-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCNC23CCC3)C1	2082980245	TZNDLUCMGBKDSX-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CC[C@H]3CCC[C@@H]32)C1	2082981798	GMGICLOCOLGVMZ-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CC[C@@H]3CCC[C@H]3N2)C1	2082982773	NKUVBLJXVHBNCM-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1cc(C)ccc1C	2086043034	BQOWBQFNSVGLGT-GUYCJALGSA-N	248.410	4.943	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)C[C@H]3CCC[C@H]2C3)C1	2086157673	NUTQEXALKUPELY-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[C@@H]1CC[C@@H]1C	2215096445	POTIKNRDNMBZMI-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CC)[C@H](C)CCC	2215252157	MXWPBZINVTYZHU-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)CNCC[C@H]1C[C@H]1CC	2215313768	UKHRBQHWQWPQGI-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@H]1CCCC[C@H]1C	2217150548	ZCCNZIYZFWOISR-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@]1(N)CC1C[C@H]2CCC[C@H](C1)C2	2218357291	QKLFDLQRESUBTR-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
CC1CC(C)(C(=O)CC2C[C@H]3CCC[C@H](C2)C3)C1	2218382366	JSSKLZLYEMZQOS-CWVKQELPSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CC(CC3CC3)C2)CC1	2218479458	CCQMNUHDWBQOBH-MHABSNSOSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1CCC12CCC2	2218719085	VJXPJMTYZWIQGL-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC1(CNC2CCC(C3CC3)CC2)CCCCC1	2218895840	AVPCMXLESRVJGJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCC1CC1)C1(CC2CCC2)CC1	2220025859	SONUUADEZNTLDU-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)[C@@H]1CC12CCC2	2220044657	GQKXXISYEYAODG-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)c1nc2cc3ccccc3cc2[nH]1	2220278193	YTRFJDCINIZODP-LLVKDONJSA-N	238.334	4.620	0	10	BJAE	
C[C@H]1CC[C@H](Cn2ccc3cccc(F)c32)CC1	2220300273	JEMVPGMTESTFBS-JOCQHMNTSA-N	245.341	4.607	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2220642267	IVHULRWNAJIALD-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	2220853663	SAYKRGHNZZVAPW-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CNCC1(CC2(C)CC3(CCC3)C2)CCCCC1	2221040365	NZHOHKDFYGHGEH-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@@]1(C)CC=C(C)CC1	2221627127	UJKNKUJVLDMNPW-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC[C@H]2CC=C(C)CC2)C1	2221665117	DTRQDIAVQKMLFU-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@](C)(O)CCCC[C@H]1C[C@H]1C	2243040429	SGLXPBOVOIMVCA-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1ccc(C)cc1Cl	2244786237	YZIIMBLPDSRRFD-BXUZGUMPSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@@H](CC)CSCC(=O)[C@H](C)CC	2246093265	WGWOPIXLWAIZPG-CHWSQXEVSA-N	244.444	4.551	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC[C@H]1CCC[C@H](C)C1	2246656201	JQOKQFCVJBBJJI-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@@H]2CCC[C@@H](C)C2)C(=O)C1	2246696374	WYRXCYUMBUMQSG-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCCC[C@H]2C)C1	2246724186	CKQZZQVTEOXDAN-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](O)CC1CC2(CCCC2)C1	2246792047	YFKOGTPTAMTNND-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC1([C@@H](O)CC2=CCCCC2)CCCCCC1	2247490770	SJPYQUOEXJFOOI-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CC1(CCC[C@@H](N)c2csc(C3CC3)c2)CC1	2248045297	UORRBWKALHNHFM-CYBMUJFWSA-N	249.423	4.596	0	10	BJAE	
Cc1cc(Cl)cc2cc([C@H]3CC34CCC4)[nH]c12	2248307511	JLCVCBVICOEGTN-GFCCVEGCSA-N	245.753	4.787	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCCC[C@H]1C	2248808001	PYYDWOJDOPHHDM-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@](O)(CCCCC[C@H]2C[C@H]2C)C1	2248871780	QTTZXLZLQBGGHD-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@@H](C)C(C)C	2250482137	SEAGVWXZYHYGNB-JYJNAYRXSA-N	241.463	4.848	0	10	BJAE	
CC[C@@H]1C[C@@H]1C(=O)CC[C@H](C)CCCC(C)C	2250514622	QZHHGBPTGNBVCT-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCNC1(C)C	2250529554	QOGUHBWHZDBMCS-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CN[C@H]1CC(C)(C)CCC1(C)C	2251667643	WBRNXJGYLCTUCD-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCC(C)(C)C2=O)C1	2251712741	OMFJFJSWGCRQMY-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCCCC23CC3)cc1	2253780815	IPTPLQXEOUQOOX-HNNXBMFYSA-N	242.362	4.538	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CCCC[C@H]1C[C@@H]1C	2254539055	WPFMWCOMASOWGD-QBYUYEEZSA-N	248.410	4.764	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCN[C@H](C)CC1=CCCCC1	2254546432	XCAWHTMHWWCGJL-UXLLHSPISA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)CC1CC2(CCC2)C1	2254600315	XKGPMOFYUNUJEA-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@H]1CCC12CCC2	2255016941	WBLAKHLJYGOCME-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCN(CC2=CCCCC2)c2ccccc21	2255059852	VFPYOJXNHBQEOY-AWEZNQCLSA-N	241.378	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](CC[C@@H]2CCCC23CC3)N1	2255339527	WHKHMVWVXBNNDC-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
Fc1ccc(C2CC2)cc1N[C@H]1C=CCCCC1	2259109437	YTUFXCRDQZHBEG-AWEZNQCLSA-N	245.341	4.614	0	10	BJAE	
CC1CC2(C1)CC(C[C@H]1CCC(C)(C)CC1=O)C2	2259545533	VJHIIHGEEGUJPA-OPFKTAGGSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@]23CCC[C@H]2CC3)CC1	2260504386	DTPZGYVECRSWMV-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@@]12CCC[C@H]1CC2	2260506237	IUSCRACFLLDSCK-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@]23CCCC[C@@H]2CC3)CC1	2260520561	LYGXGGXPAFXGRY-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@@]12CCC[C@H]1CC2	2260622985	SEGVBSFVMIMILD-LLLHUVSDSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@@]12CCC[C@H]1CC2	2260653099	WVSOMRPPBKTJSQ-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CC(=CCC(=O)C1CCCC1)CCCC(C)C	2300909225	LXKFACHZRIKIPN-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@@H]2CCC(C)(C)C2)C1	2302760671	KQRQWEVMDXOQOK-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CCCCC1CC1	2303443008	QJMMIXKWPWCIIP-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)CC1CCCCC1	2307827100	UOTWFVZKWCMOIU-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(CO)C1CCCCC1	2307877439	LWKSIEUPXLIKRU-HOCLYGCPSA-N	240.431	4.782	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)CCC1=CCCCC1	2307899949	DPLHAWRWJASJQK-ZBFHGGJFSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(C[C@H](CC)CCC)C1	2307906780	IKSQVRPVODFRNP-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC1=CCCOC1	2307918517	VTGXOEHVUPJLFJ-OAHLLOKOSA-N	238.415	4.966	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)[C@@]12CCCC[C@@H]1CCC2	2308259202	BFWKDGZJIDSHJP-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309184589	IKTTYHNGIKUCON-HJWJTTGWSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)CC[C@@]12CCC[C@@H]1C2	2310385441	HEGXXWVUTQDDCO-DJIMGWMZSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@@]12CCCC[C@@H]1CC2	2313289905	PJTQEFRAVOAVJG-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CCC(C)=CC[C@H](N)c1ccc(C2CCC2)cc1	2316507789	FKAHEDAMTQMHTN-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CC(=CC[C@](C)(N)c1ccco1)CCCC(C)C	2316543026	VVBHSMFFQOCHOH-INIZCTEOSA-N	249.398	4.616	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H]1CC2)[C@@H]1CC=CCC1	2316874503	RTLSPKHYBPHJNJ-JONQDZQNSA-N	246.394	4.518	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@H]3CCC[C@H]2CC3)CC=CC1	2316877223	CNNIQOUPHHLPTH-SOUVJXGZSA-N	246.394	4.518	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317149909	YTHPTYYICVEGSO-WCVJEAGWSA-N	249.442	4.523	0	10	BJAE	
CCCC1(Cn2c(C)cc3cc(F)ccc32)CC1	2317557369	ZZLOAIMHRWBSAY-UHFFFAOYSA-N	245.341	4.669	0	10	BJAE	
CC1(C)CCC=C[C@@H]1NCCCC1=CCCCC1	2318542955	PGLZRSZXXAYJLT-INIZCTEOSA-N	247.426	4.601	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)CCCC1=CCCCC1	2318551697	RIRZFOKAPOLMKA-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@H]2[C@H]3CCCCC[C@H]32)C1	2319298482	ZMJCBSJDOQZAOT-AYDFFVQHSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)[C@@H]2CCC[C@H](C)C2)CC1	2320240486	MKPLJLYPIUWLPQ-WBQNTZJQSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@@H](NC[C@H]2CCCC(C)(C)C2)CC1	2320411583	KNHIZOPVMLBWJN-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@]2(C)CC=CCC2)CC1	2320421548	WBQMPAXVRVTKRF-WBVHZDCISA-N	246.394	4.829	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)C[C@@H]1CCCCC12CC2	2320432960	VOCSMVVXRDSFMC-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H](C)Nc1cccc(F)c1	20520060	LJKXLHSALLZQNF-LBPRGKRZSA-N	223.335	4.597	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCCC[C@@H]2C)cc1	20549670	UCMKWAQBHBFGNU-BBRMVZONSA-N	231.383	4.801	0	10	BJAE	
CC[C@@H](C)[C@H](N)c1ccc(C(C)C)cc1C(C)C	21007839	HYYAUDTWCGUKTI-DYVFJYSZSA-N	247.426	4.979	0	10	BJAE	
Cc1cc(SCC(C)C)nc2c(C)cccc12	32535807	ULYSGICCVZUJAE-UHFFFAOYSA-N	245.391	4.600	0	10	BJAE	
CCCCC[C@@H](C)NCc1ccc(C(C)C)cc1	35134014	LPZWTOMXTYELCF-OAHLLOKOSA-N	247.426	4.868	0	10	BJAE	
CCN[C@H](CCC1CCCC1)c1ccc(C)cc1	35541085	FOELVGMWJXDXDF-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCCCCCSc1c(N)cccc1Cl	37204194	QNCLDVDQNZUHJQ-UHFFFAOYSA-N	243.803	4.595	0	10	BJAE	
CCCN[C@H]1CCCC[C@H](C[C@@H](C)CCC)C1	80416196	ZQWGECMKNQKXMU-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@H](C)[C@@H]1C	85098718	SDNCXMVESOPDSY-DUVNUKRYSA-N	245.410	4.794	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCC[C@H](C)CC1	86889477	VTZJFNZZCFUZEQ-AAEUAGOBSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2ccc(C)cc2C)C1	87984387	FVVWKNPZNZCAHU-HUUCEWRRSA-N	244.378	4.703	0	10	BJAE	
CCCCCC[C@@H](O)c1c(C)c(C)cc(C)c1C	97470399	NPAUAHCUSRBIFK-MRXNPFEDSA-N	248.410	4.924	0	10	BJAE	
CCC(=O)CC[C@H](CC)c1ccc(CC)s1	107543837	LVDGFWORXOQGOT-NSHDSACASA-N	238.396	4.563	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1ccc(CC)cc1	109718605	AAALLJPRTIPWIV-WBVHZDCISA-N	247.426	4.855	0	10	BJAE	
CCCCC[C@@H](NC1CC=CC1)c1ccccc1	125040489	SJMFMHZNFGHLIC-QGZVFWFLSA-N	243.394	4.616	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@H]2CCC(C)(C)C2)c1	131311100	LPUIBMYAWOTGAI-ZBFHGGJFSA-N	245.410	4.533	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCCC(C)C)cc1C	134279100	MRLIUBLZKKGOIR-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](C)C[C@H]1CCC[C@@H]1CNC(C)(C)C	155445613	VUVSYXUEVJWVPT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(-c2c(F)cccc2Cl)c1	160403595	OPXWVDVBMHVGFL-UHFFFAOYSA-N	234.701	4.709	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CCC1CCCC1)NCC	162153542	GXDWFLGHVLSTRC-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccc2ccccc2c1	163826050	PGJUKBJIJATURG-GUYCJALGSA-N	239.362	4.830	0	10	BJAE	
CCCCCC[C@](C)(CNCCC)C(C)C	164369545	OJCRGESOFOCCSG-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
Cc1ccc(C(O)(CC(C)C)CC(C)C)c(C)c1	165390109	MYXMTIZMEDGDFN-UHFFFAOYSA-N	248.410	4.583	0	10	BJAE	
C[C@@H](C[C@@H](C)c1ccc(N)cc1)c1ccccc1	200768236	UQBLZEMLNNWLHW-UONOGXRCSA-N	239.362	4.566	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](CC)CC[C@@H]1O	218286181	LXMHGAIXMGVXMP-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CC[C@H](C)[C@@H](C)C2)c(C)c1	220648378	PWJQBCFMLJMDGA-XEZPLFJOSA-N	245.410	4.848	0	10	BJAE	
CCC[C@@H](CC[C@H]1CC[C@@H](C)[C@@H](C)C1)NCC	221313407	DBOYIVZFGMZNQP-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1c(C)cccc1F	224941364	IFSGQAWXYBUQQO-OCCSQVGLSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@@H]1CCCCC1(C)C	226833435	QIZCBSWYHMHQPG-LSDHHAIUSA-N	249.398	4.537	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	229191518	XPPYTCYQEWJRSZ-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)CC2CCC2)c1	229671420	HIMHJZWABKLVAP-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
Cc1ccc(N[C@H]2CCC23CCCCC3)cc1C	230161481	VHMGHXYQQNCKKW-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C[C@H](C)CC[C@H]1C	300689550	HQDJTMDFBRLDPQ-LVQVYYBASA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCC(C)(C)C)NCC	301010202	ZTURSQIJUIFROD-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CCC1CCCCC1	302267603	QHIUUJNWQXTXLD-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
CC(C)CC[C@](C)(O)c1cccc(C2CCC2)c1	302536547	SGEAKGADXHHNBK-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCc1c(Cl)c(SC)cc2ccsc12	306776942	MRTKMIXKEPRDFX-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1CCC[C@H](C)C1	309436561	KNSWVLRQXOXPDN-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CC2CCC(C)(C)CC2)C1	310384387	HLVWIJREPYKUCA-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
NCC1([C@@H]2C=CCCCCC2)CCCCCCC1	310749378	KFEAVGZFTXQOMM-MRXNPFEDSA-N	249.442	4.812	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)c1ccccc1C	310996626	HOYHQMGWWJEBOJ-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
C[C@@H]1CCC[C@]1(CNC1CC1)CC1(C)CCCC1	318363673	XBLYJOPUMCFSCA-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1[C@H](C)[C@@H](C)CC	320092408	YRNJFCPXSIFAIB-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@@H]2CC3CCC2CC3)c1Cl	381940302	VSWGMJQXECZPIS-ORHYLEIMSA-N	249.785	4.639	0	10	BJAE	
CC(C)CCCCCCCCNCC(C)C	383140699	FJBSQIQOYVTSKI-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCC[C@H](C)C1	383211999	QADZLNTUIHPKDB-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@@H]1CCCC(C)(C)CC1	384492918	MFLPNONHECWOLZ-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CCC1=CCCCC1	384974052	PQZODYFVTWPKJG-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc2sccc2c1	386663441	TVTRZUOYXDDAAX-CQSZACIVSA-N	248.391	4.905	0	10	BJAE	
Cc1cscc1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	387232525	VMZOQALIGDGLGQ-UXIGCNINSA-N	249.423	4.683	0	10	BJAE	
C[C@@H](CN[C@@H]1CC12CCCCC2)C1CCCCC1	387374409	XWWCWGXODFLYIW-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)C(C)(C)C(C)(C)C)CCCC1	393767023	DQFUUKLWVXFJRI-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
O[C@@H](CCC1CCC1)c1cc2ccccc2s1	398575889	JUWMITGUBDTVPM-ZDUSSCGKSA-N	246.375	4.515	0	10	BJAE	
C[C@H](CNc1cccc2ccsc12)C1CCC1	398630035	JTOBYAIEYMAFLH-LLVKDONJSA-N	245.391	4.749	0	10	BJAE	
C1=C(Cc2ccc(C3CCC3)cc2)CCC1	401108219	NAHMMZJTVGIYEH-UHFFFAOYSA-N	212.336	4.607	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1c(C)cccc1F	401795612	IGQRCFNUUIHJLO-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
CC[C@@H](C)c1csc([C@@H](C)c2ccccc2)n1	405532737	CDRQZQKLRFLTGS-NEPJUHHUSA-N	245.391	4.808	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@H](CC)CC(C)C	405741204	PHGXHIZZNTULSK-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCN[C@H](c1ccccc1)C(C)C	686310766	LWVCBXQPKGVDMJ-INIZCTEOSA-N	247.426	4.800	0	10	BJAE	
CC(C)CC[C@@](C)(N)CC(C)(C)c1ccccc1	686664880	NZAGGRLSSXWMGJ-QGZVFWFLSA-N	247.426	4.508	0	10	BJAE	
CCC1([C@H](O)C[C@H](C)C2CCCCC2)CCC1	687586731	RTNJHDQVEFXSDD-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)CC2CCCC2)cc1	689720078	RSCMESZMVPTTIT-GJZGRUSLSA-N	245.410	4.614	0	10	BJAE	
CCN[C@H](CC(C)C)[C@H]1CCC[C@H](CC)CC1	695071097	SJTCICBKIMIJAN-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CNCCC(C)(C)CC)CC1	696799019	IEPOHNUKWQGBEE-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CC[C@](C)(C(=O)CC2=CCCC2)C1(C)C	699023316	KWOHLXQKIHUFCU-BLLLJJGKSA-N	234.383	4.518	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)C1CC(C)(C)C1	701469583	CANWTGZNGAFJEA-INIZCTEOSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H]1[C@@H]2CCCCC[C@H]2C12CCCCC2	701903372	NVGZHNQMAUGTKM-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@](N)(CCC1CCCC1)C1CC1	704833348	FOIBEFYPDBWLEO-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@H]2CCCC[C@@H]2C)C1	704946423	WEJNXEFAEDZMJE-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](N)(C[C@H](C)CC(C)C)C1CCCC1	704960512	YWLIWNSXSZZXPW-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](N)(CC)C1CCC1	705300744	YKMNMWHKTTYDRE-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCCC[C@@H]1C(C)C	707577757	RKLBMKXOIJWAJQ-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)C1CCC([C@H](N)CC(C)C)CC1	710131552	STRJQWQVWXFNOS-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)C23CCC(CC2)CC3)C1	710262500	JKBZNBLRDAHLHC-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C[C@@H](C)C(C)(C)C	710757361	ICFAGZCKLIHGNV-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@H](O)C12CCC(CC1)C2	711073006	NDOSFEFDCSWMBG-PCKAHOCUSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C[C@@H](CC)C(C)(C)C)NC	711079520	GBXWSYRQAJKAIM-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCCC1CCC1)CC(C)(C)CC	711223422	NLAGUFPOLVGSIF-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)CC)CCC[C@@H]1C	711297712	BZXYWEFKGQZURV-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(CN)(CC(C)(C)C(C)C)CC1	713226811	HAMYKTOAXUUACJ-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CC(C)(C)C(C)C)C1	713228366	PGVOBWMULDUFJJ-ZBFHGGJFSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)CC1(CNC(C)C)CCCCC1	713252389	SJKPZMJTLKDLGW-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)NC[C@@]1(CC(C)(C)C)CCC[C@H](C)C1	713310601	GSGLQWLWEZRCGO-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCc1cc2cc(Cl)ccc2o1	713636819	ZRHUZCFLWOVINP-ONEGZZNKSA-N	232.710	4.761	0	10	BJAE	
C=C/C=C\CCCc1cccc(F)c1Cl	713745393	MYYCINFDVLLJHN-ARJAWSKDSA-N	224.706	4.544	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCCCCC1(C)C	719196987	POEOAFPSCXKKCD-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCCCCC2(C)C)c1	719261012	OQZGDRJZOXBYOQ-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC(C1CC1)C1CC1	720958119	YGXPOUXSLVIEJB-MRXNPFEDSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H](C)CN1CC[C@H](C)c2ccccc21	1653692853	HXLHAQBGQAVQCB-GJZGRUSLSA-N	245.410	4.682	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CCCC(C)(C)C	1902190036	QEHFHCGBIXIGJR-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC(=C(F)F)c1ccc(C(F)(F)F)cc1	1902949766	QHLQUWINVDRQBF-UHFFFAOYSA-N	236.183	4.723	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CC(CC)CC)NC	1905441867	BFIWNFFBXAADND-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCCCC(C)(C)CNCCC[C@@H]1C[C@@H]1C	1908573336	UMZFDIYULAQSBB-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1C[C@H]1C1CCCCCC1	1910660231	VLCARMWFYREBGW-AEGPPILISA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@]1(CNCC(C)C)CCC[C@@H]1C	1911885749	JXYZJXCKZFOWOZ-DLBZAZTESA-N	249.442	4.561	0	10	BJAE	
CC=CC[C@]1(CNC(C)(C)C)CC[C@@H](CC)C1	1911895819	BXBOPGPEFOEADG-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@@H]1CCCCC[C@@H]1CNCCC	1911960905	QFHJGHOQJPQEFH-IAGOWNOFSA-N	249.442	4.705	0	10	BJAE	
CC(C)NCC(C)(C)CCC=Cc1ccccc1	1911999904	ONBLSYTVTKCVAG-UHFFFAOYSA-N	245.410	4.504	0	10	BJAE	
CC(C)[C@@](O)(CC1CCCCC1)c1ccccc1	1919934000	JDIBPWKZQPWWDT-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CC[C@H](C[C@H](N)CC[C@H]1CC1(C)C)C(C)(C)C	1921578031	IUHLRRUTEFHEDG-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@](C)(CO)C1CCCC1	1923885743	BKSUZGQEAHKUOL-MRXNPFEDSA-N	240.431	4.782	0	10	BJAE	
C[C@@H](C(=O)c1sccc1C1CC1)C1CCCC1	1924140830	CCNLTPVQDMMMKF-SNVBAGLBSA-N	248.391	4.635	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@H]1C=CCCCC1	1925909093	AHZMIQNTQRIEJQ-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)c1cscc1C	1938831240	VPUHPTCTTSSYIX-JSGCOSHPSA-N	239.428	4.519	0	10	BJAE	
CCc1csc([C@@H]2CCCC(C)(C)CC2)n1	1939902509	DTHVIZASVUTWRO-LLVKDONJSA-N	237.412	4.779	0	10	BJAE	
CCCC1([C@H](O)CC2(C)CCCCC2)CCC1	1940405603	JHZURVSOFIMHTL-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC1(CCC[C@@H](O)CC2CCCCCC2)CC1	1940874962	WEABWVCMSWLTBI-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C(C)C)[C@H](NC)C1=CCCCCCC1	1941270624	ZRRUGFUBVMCXIR-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943019033	DOQCMSSIUGPWNZ-BFJAYTPKSA-N	238.415	4.556	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@H](C)C(C)(C)C)C1	1944205977	WFCMGBCPEBFXGG-RFQIPJPRSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC1CCC(C)(C)CC1	1944643404	YHMYWKZILASQSB-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCC[C@@H]1C)CC(C)C	1944842133	HPTXXAXNZCASBK-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H]1CCC1(C)C	1945748440	KVYYCUDDRVKOOJ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)C[C@@H](C)CC(C)(C)C	1947511209	VMWHEHDMOVZYPZ-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CCCCCC1(CNC(C)(C)C)CC2(CC2)C1	1948176926	NUYQUISJJIMIKD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1C[C@H]2CCCC[C@]2(C)C1	1948564793	VWGLRGLNGXZTFS-BZUAXINKSA-N	231.383	4.636	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CC(C)(C)C(C)C	1949006451	KNJJZHNPSDJQPY-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@H]1C[C@@H](N)C1CCCCCCC1	1949059438	CSDBKENKPJQHMU-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@@H]1C=CCCC1	1949156467	ZVHYLGSASOPXLG-OAHLLOKOSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](NCC)[C@H]1CCCC(C)(C)CC1	1950915296	ZBTAWFVYOXOTMM-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
Nc1cccc(C=Cc2cccc3ccccc23)c1	1962724778	NVSNIUYAXYOPBU-UHFFFAOYSA-N	245.325	4.592	0	10	BJAE	
CC[C@]1(C)CCCN([C@H]2CCC3(CCCC3)C2)C1	1969870779	TVKPOEFRVBTZSR-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](Nc1ccc(CCF)cc1)C1CCCC1	1970091912	AXLKWPYIKTVLQE-INIZCTEOSA-N	249.373	4.579	0	10	BJAE	
CCCCC1CC(N[C@@H](C)CCC(C)(C)C)C1	1970302857	OQBBGKQGQXUVRS-NFOMZHRRSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](Nc1csc(C)c1)C1CCCCC1	1975998320	NGTXQZWYJMGLRH-AWEZNQCLSA-N	237.412	4.827	0	10	BJAE	
CCCN[C@H](C=C(C)C)C(CC)(CC)CC	1978585092	BJLBLHHCBRTIQC-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCCCC1CC(N[C@H](CC)CCC)C1	1984693052	YBUKLUHZDLVBLZ-SHARSMKWSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1(CC)CCC1	1988426206	WHGOLHRRRPOEEY-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
C[C@]1(C(F)(F)F)C[C@@H]1C[C@H]1C=CCCCC1	1992668946	NSOPEPFJEYXOBF-SRVKXCTJSA-N	232.289	4.711	0	10	BJAE	
CCCCCc1cscc1[C@H](C)NCCC	1993924882	YBHCEBHBMGUZJV-LBPRGKRZSA-N	239.428	4.541	0	10	BJAE	
CCCCC[C@@H](N)C[C@@H]1CCCC(C)(C)C1	1994026838	UOFFIKPIPYFKIG-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
c1sc(CC2CC2)nc1C1CCCCCC1	1995498822	UOTIKDAKLWNKBH-UHFFFAOYSA-N	235.396	4.533	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@@H](O)CC2CCCCC2)C1	1996263806	BQQLVFGYTYHQBL-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC1CC(C(C)(C)C)C1	1998235093	QYELEMSCDSWOKY-HSBZDZAISA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC([C@@](C)(O)CCCCCC2CC2)C1	1998646033	PKFROARTOFZKBZ-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)NC[C@@H](C)CC[C@@H]1CCC=CCCC1	1999994841	YRZSBTISEWRIOK-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)C[C@H]1CCC=CCCC1	2000007119	RAQYNRMBVZRISX-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
C=CC=CCC[C@@](CC)(CCCC)CNCC	2000499573	LVLQDBFRZOELOP-MRXNPFEDSA-N	237.431	4.705	0	10	BJAE	
Clc1ccc2c(ccn2[C@@H]2CC[C@H]3C[C@H]3C2)c1	2001464647	RGQYGIRQMNBUII-VHRBIJSZSA-N	245.753	4.656	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CC=CCC2)C1	2002990352	ICCHHPXYBLKPGX-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H](C)CC(C)(C)C	2004225625	JUHAMBYCLGMLHK-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
C=CC=CCCC1(O)CCC(CC)(CC)CC1	2004340299	ZAAKCAYDSVOKLK-UHFFFAOYSA-N	236.399	4.620	0	10	BJAE	
CC1([C@H](N)CC2CCCC2)CCCCCCC1	2004920170	HOUSNUBWQGCEQT-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@H](CCC(C)=C(C)C)C1	2006625571	YEXSGNLBXSAFRG-CWRNSKLLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]([C@@H](C)CC)C1(C)CCC(C)(C)CC1	2007698966	VPGYAKVDLKATPE-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)C(CC)CC	2007812165	JUVVVTBOJYHZMD-XUJLQICISA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H](N)C1CCC(CCC)CC1	2009595796	LGPLGBDQMRDHTF-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CCCCC1CC(N)(C[C@@H](CC)CCCC)C1	2009788713	DSVDUPOIZDVDGD-FHERZECASA-N	239.447	4.891	0	10	BJAE	
CCC[C@@](N)(CC)C1=CC[C@H](C(C)(C)C)CC1	2010728740	IHXHPMYXGKGODV-BBRMVZONSA-N	237.431	4.667	0	10	BJAE	
C=C=CCC[C@@](CC)(CCCC)CNCCC	2010986360	XYGUQQKDMLXRJX-MRXNPFEDSA-N	237.431	4.694	0	10	BJAE	
Cc1scc(C(=O)CC23CCC(CC2)C3)c1C	2012806714	VNKQJNMPOYGCMC-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CC1CC(C)(C)C1	2013308978	LORNIZAPAGHEGI-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(C)(C)CC1(N)CC(CC(C)(C)C)C1	2014655237	IZELMDKTSSQNMA-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)C[C@H]1C[C@@H](C)c2ccccc2N1	2015402900	WTBQWALXIZIHFB-MCIONIFRSA-N	231.383	4.657	0	10	BJAE	
CCN[C@H](C)CC(C)(C)CC(C(C)C)C(C)C	2015408742	LLPVFGAZXWVXHQ-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CC(C)c1ccc(N[C@H](C)C2CC=CC2)cc1	2016341809	HLCQVBPOYKYFCF-CYBMUJFWSA-N	229.367	4.577	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)C1(C(C)(C)C)CCC1	2017138118	GLHQSSQWDWPUTJ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H](CC(C)C)C(C)C	2017474388	CRZSCDICIHWPPW-JKSUJKDBSA-N	239.447	4.639	0	10	BJAE	
CCCC1CCC(C[C@](C)(O)[C@H](C)CC)CC1	2017651375	SNPZOKQMDWWDFE-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)C[C@H]1CC[C@H](CC)CC1	2017652762	KUVGXGJJYIQDKA-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)N(C)CCC[C@H]1CC1(C)C	2018182185	FFZIRPGHQOLKLD-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@]12CCCC[C@@H]1C2	2018577586	JNIKGKGXUQDMNW-OWCLPIDISA-N	237.431	4.502	0	10	BJAE	
CCC1(CC2(CNC(C)(C)C)CCCC2)CC1	2018977750	YASCVEPAHFNXKY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC(CC)CC)CC1(CC)CC1	2019007701	FCECJDFACZARSE-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCN1CCC(C(C)C)CC1	2019342513	NWHVIRNXYCFWBA-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1CCC(C)CC1	2020968556	WMJOYKJJZOKUAI-BCLQGDPASA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCC)C1(C(C)(C)C)CCC1	2020974569	RIWPBHHKSIOVTO-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@@H](NCC)C1(C(C)(C)C)CCC1	2020974570	RIWPBHHKSIOVTO-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
Clc1cc(C2CC2)nc2c(C3CC3)cccc12	2021027339	XBUWXAGXPUNOIU-UHFFFAOYSA-N	243.737	4.643	0	10	BJAE	
C[C@H]([C@H](N)C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2024092460	RGRULBINGCWHMK-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CNCC)C[C@@H]1CCCC(C)(C)C1	2024094667	LXEWWOSONLZCBL-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC1CC(CC(=O)C[C@H]2C=CCCCC2)C1	2025436277	TWOOPPJGSRMJEJ-SLTAFYQDSA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)[C@]12CCC[C@H]1C2	2027313092	BVAVLGARYAPFBD-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)c1C	2027794392	VTHPSKXBYCOZRB-LNCBFAARSA-N	245.410	4.786	0	10	BJAE	
Cc1ccc([C@@H](O)[C@H](CC(C)C)C(C)C)c(C)c1	2028239995	IVIIKROEAVFKTG-IAGOWNOFSA-N	248.410	4.655	0	10	BJAE	
CCN[C@H](c1cccc(C2CC2)c1)C(CC)CC	2028549457	MZWIKSZIGZHAKN-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
O=C(CC1CCCCC1)[C@@]12CCCC[C@H]1CCC2	2031848384	DQTZXMKFNPIJOD-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CC1(CCNC2CCC3(CC2)CC3)CCCCC1	2033211787	CNMVTAVPELFQDR-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C1CCCC1)C1CC1	2035403173	IAZRMOHWLFXGRF-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C[C@@H]1C=CCC1	2035587275	BLCRUFQJCSYEBL-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC)(C[C@@H]2C=CCCC2)C1	2035601442	PBWUEJIXIVPTNO-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)CC1CC2(CC2)C1	2036724401	LZILKTUQXDOJLL-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)c1nc2c(C)ccc(C)c2[nH]1	2038005325	RQLVJJUWYPHYTF-UHFFFAOYSA-N	244.382	4.864	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CC1CC2(CCC2)C1	2038086033	RARPUULAGIHCDW-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CNC[C@]1(CC2(C)CCCC2)CC12CCCCC2	2039003713	UHMZOKOXOLSLQU-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@]2(N)CCCC3(CCCCC3)C2)C1	2040763833	VGLUUDQSMZUVHC-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC1CCC([C@H](N)C[C@@H]2CCC=CCCC2)CC1	2045314116	HAWHYXRSEJEPGQ-MNAZLIDISA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCC[C@@H](NC2CC3(CCCCCC3)C2)C1	2046229830	INMKPXZQSFMQLP-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(OC[C@@H]2CC23CCCCC3)cc1C	2047056106	PPIOPTLCOVJERD-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1C[C@H]2CCCCCC[C@H]21	2047438553	TZTQBYAWUUXBIA-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C[C@@]1([C@@H](N)C[C@H]2CCC=CCCC2)CC=CCC1	2047680600	FBYBXUPVTCDIDB-YESZJQIVSA-N	247.426	4.587	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@H]1CCC12CCC2	2047938736	IHFICGPWTRDDHK-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C(=O)[C@H]2[C@H]3CCCCC[C@H]32)CC1	2049196673	AOELQXLNJDYXFL-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CC2CCC3(CC2)CC3)[C@@H](C)C1	2049963483	MUTAAWYXXRGEDZ-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@@]1(C)C=CCCC1	2050008761	VQDCDWYKVZAVTL-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)CC(=O)Cc1ccccc1C(C)(C)C	2053957620	BFWCXQCIZHPNHX-CYBMUJFWSA-N	246.394	4.532	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC=CCC2)CCC2(CC2)CC1	2056537622	XZEOJDSGNHVAOW-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CN[C@@H](CC=C1CCCCC1)c1cccc(C)c1	2056886805	MECDIYXYIFAEKS-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CN[C@H](CC=C1CCCCC1)c1cccc(C)c1	2056886806	MECDIYXYIFAEKS-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C2CC(C3CCC3)C2)CC1	2057496512	YERBBHQTLKFTJX-WHPGWMBPSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CC(C)=C[C@@H](C)C1	2059247585	SHZUMZDYCMOHQQ-OIISXLGYSA-N	249.442	4.703	0	10	BJAE	
CCCCC1CC(NC[C@@H]2CC23CCCCC3)C1	2059398902	ZHEDZTRMKOWGQM-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)CC[C@@]23CCC[C@H]2C3)CCCCCC1	2061602402	NJJWTEDLBJVVJC-WMLDXEAASA-N	248.410	4.886	0	10	BJAE	
c1cc(C2CCC2)ccc1CC1CC(=C2CC2)C1	2061718461	LOULVGVXGKOJHH-UHFFFAOYSA-N	238.374	4.997	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)[C@@]1(C)C=CCC1	2062640810	FLOKEISFHVDGQB-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C1CC2(C1)CC(C)(C)C2	2063808966	ZKKYEDZWPPYNIY-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC1C2CCCC1CCC2)C1(C)CCCC1	2067516875	JMTHUECMUZZPPF-CUUNVARJSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@H]2C[C@H]3CC[C@H]2C3)CCC1	2069277949	CHTOMTUVPJKBAQ-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H]2CC23CCCC3)CCC1	2069336011	VDPWMLHWQGXCST-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CC(C)=C[C@@H](C)C2)CCC1	2069339554	KSYJNCMQYDWHRH-BMFZPTHFSA-N	249.442	4.667	0	10	BJAE	
CC(C)=C(C)CCN(C)C1CC(C2CCCC2)C1	2069602134	HOYXPNRVGYHYBP-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCCC1CCC([C@@H](N)c2cc(C)c(C)o2)CC1	2072702916	SOUSWEYUNSSYJH-ZBCRRDGASA-N	249.398	4.503	0	10	BJAE	
CCC1CCC(C[C@@H](N)c2cc(C)c(C)o2)CC1	2072798178	HEDOBPAZCJSEKD-YMAMQOFZSA-N	249.398	4.503	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CC=C(CC)[C@H]2N)CC1	2072802588	ZIJSVCMLAYQDDL-NXNVCVFFSA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(N)(C[C@@]23CCCC[C@H]2C3)CC1	2074025719	QEQULFRVPXTNPA-YZUHTNEWSA-N	249.442	4.645	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@]12CCCC[C@@H]1C2	2074115743	ZQVLXDJDAANGNK-INMHGKMJSA-N	248.410	4.886	0	10	BJAE	
C[C@@H](C[C@H]1CCNC2(CCCCC2)C1)C1CCC1	2074138573	KZKZKCSUTJBTLD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CN(CCC1CCCCC1)C1CC2(CCCC2)C1	2074890043	WVAGYOZQACGWEO-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC1CCC(N2CCC3(CCCCCC3)C2)CC1	2075115188	VQDKRMMDDAEXNK-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](C=C[C@@]1(C)CNC(C)(C)C1)C1CCCCC1	2078848345	SSYBHOKGZICRCQ-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC1(N)CC2(CCC(C)CC2)C1	2079887110	TWSDNCSKQAZRGG-QZAQUIPZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H](C)C1CCCCC1	2080249807	QQRVHBJSFPWQAC-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H]1CCCC[C@@H]1CC	2080252150	MHZFSOIDTGTKAP-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NCc1cc(C)cc(C)c1C	2082906289	VDJIBLKXXSXHAD-IUODEOHRSA-N	247.426	4.526	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1sc(C)c(C)c1C	2211702162	RFDBAJCRDCESOA-NOZJJQNGSA-N	240.412	4.533	0	10	BJAE	
CCCCC[C@]1(N)CCC[C@@H](C(C)(C)C)C1	2212098977	AHTMAHIOQBADME-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](N)[C@@H](C)CCCCCCCC1CC1	2212463237	QDHAYLIOBBUUKZ-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@H]1CC=CCC1	2213578822	AIIIRYHOXGZFCL-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
C[C@H]1CCC[C@@H](NCCCCCCC2CC2)C1	2213581985	CMIYXRVERRNXRQ-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC1(CC)CCC(O)(C[C@H]2CC[C@H]2C)CC1	2214981978	NAJLSEMFLWZCQJ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC1(C(=O)CC[C@@H]2C[C@@H]2C)CCCC1	2215345184	HYHFBZQRCVVILV-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCCCN(C)[C@H]1CCC[C@@H](C(C)(C)C)C1	2216246463	BVKFSMJSBJRJRQ-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCN[C@H](C(C)C)[C@H]1CC[C@H](CCC)CC1	2216283890	WYHQPFFCNPEWNI-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1(C(C)C)CCC(C)(C)CC1	2217150920	PWANYRXJZDCWDE-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H](C)c1ccco1	2217243168	VUYQEVVTKIMTJQ-SNVBAGLBSA-N	249.741	4.669	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1C[C@@H]2CC[C@@H]2C1	2217274182	JNVZHWANYLSPMP-IMRBUKKESA-N	249.785	4.503	0	10	BJAE	
C[C@@H]1C[C@]1(C)C(=O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222982345	SJLJAFIHISTSGT-NPCUJANDSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)C[C@H]1CNc2ccccc2C1	2223666345	LIEAYFPQBCZXIU-HUUCEWRRSA-N	245.410	4.733	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCC[C@@H](C)C2=O)C1	2246692488	KVUPDVAUIBIUNN-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](NC)c1cc(C)c2sccc2c1	2248566032	QEHSLBYQLYFBLR-AWEZNQCLSA-N	247.407	4.660	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC[C@@H]1C[C@H]1C)NCC	2250351401	CLWZLJVPZAMXLE-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@H]1CCC=CCCC1	2250354036	ZTBOLIIZDXNKNQ-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@]1(C)CCNC1	2250475549	QVPQJRFUSVLKTM-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](NCC[C@H](C)CCCC(C)C)C(C)C	2250490186	GNBZHFKQWYJHHP-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](C)CNC1CC1	2250492440	VQMWYBITIUUIMF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
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C[C@H]1C[C@H]1CCCCCC(=O)c1cccc(F)c1	2254516561	LIVCLWSRJQSSEC-QWHCGFSZSA-N	248.341	4.615	0	10	BJAE	
CC(C)Cc1cc(CNC(C)C)cc(C(C)C)c1	2254722318	LHHMTCNVYGXKTJ-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
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C1=C(CNc2cccc3ccccc23)CCCC1	2255094599	BJDFETKVIXITEO-UHFFFAOYSA-N	237.346	4.752	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)CC[C@H]1CCCC12CC2	2255278306	MSYPCQOAEWVZAN-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@H]1CCCC12CC2)CC1CCCCC1	2255291250	NLHHXCNHSNWCBO-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(C)c(OC)c1C	2259462992	BSHANGJFWQTFRB-AWEZNQCLSA-N	249.398	4.550	0	10	BJAE	
CC1CC2(C1)CC(CN)(CC1(C)CCCCC1)C2	2259487418	AUUMGOGNRYAQAG-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCCC1(C[C@@H](N)C2CC3(CC(C)C3)C2)CCC1	2259513717	CSQRWIUQADDMRB-UKEPKTAJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]23CCCC[C@H]2CC3)C1=O	2260563945	CIAUQLLAZYPNMO-KEYYUXOJSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(OC[C@]23CCCC[C@@H]2CC3)cc1	2260646733	MXZIVKKHNHMBJF-NVXWUHKLSA-N	244.378	4.598	0	10	BJAE	
CC1(C)C[C@@H]1C(=O)c1cccc(C2CCCC2)c1	2260729555	LKAHPUPWEHEJIU-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
Fc1ccc2c(c1)[C@@H](CCC1CCCC1)CCN2	2261337329	GFTJGVNNGVVOEH-ZDUSSCGKSA-N	247.357	4.695	0	10	BJAE	
CC1(C)CCCCCN1CCC1=CCCCC1	2298876651	KVWZMMLUJXBVOL-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@H]1CCCC(C)(C)CC1	2298909973	CJRSQILVSOKVMI-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC[C@]1(C)NCC[C@H]1CCCCCCC1CC1	2299981560	PNEHUZWTCLFRPM-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC[C@H](CCC1CC(C)C1)NC	2300684038	PTEFVVDZCNFJCR-AVVWSFFYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H](CC)CC[C@@H]1CN	2300702175	VSJCIEGCOKYGHF-ARFHVFGLSA-N	239.447	4.604	0	10	BJAE	
CC1(C)CCC[C@H](CC2CCCCCC2)[C@@H]1N	2301247047	MHRWRRQYNAWWKF-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1CC(C)(C)[C@@H]1C	2302148806	WGAUREUWNFMIPA-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCC(C)(C)C1)C1CCCC1	2302764724	BDTSAANNZFJNDI-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C(=O)CC[C@H]1CC[C@@H]1C1CC1	2303157129	ZCJLJBJFJIVPPZ-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](C)CCNC(C)C)CC1	2303581022	ZIECROAXRJDNHR-XJKSGUPXSA-N	237.431	4.537	0	10	BJAE	
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CN[C@H](C)CC(C)(C)CC[C@H]1CCC(C)(C)C1	2304446861	JKUIZNNTCXXGDH-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@H]1CCC1(C)C	2307819355	KSZCXGSQEPTRHA-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H](N)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2310192482	ZYQMXAUABGCOKO-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)C[C@@]12CCCC[C@@H]1C2	2311148478	XAZWMSCCRYQMTN-ORQFMDKSSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(C[C@@]23CCC[C@@H]2CC3)C1	2313343539	FVBRMZFWFLIHHC-FSDCSDTHSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](N)C(CC2CC2)CC2CC2)CCCC1	2313582527	ZZIHXQGIQWJKRY-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2313633151	QEKOXJGPMZNVDN-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cccc(C2CC2)c1	2316247733	HXOSPMDBQJLVLT-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
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CCCN[C@@H](C=C(C)C)[C@H]1C[C@H]2CCC[C@H]1CC2	2316782901	MYARQTIGYQWDKH-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316881754	SMENLISTPFJKFF-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CC[C@](O)(c1ccc(C)cc1)[C@@H](C)[C@H](C)C(C)C	2317858274	IDJPLFVWNLRQKF-HLLBOEOZSA-N	248.410	4.521	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)CCC1=CCCCC1	2317965591	KZSWFOJWVODEOG-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CCC1(C)CCN(CCCC2=CCCCC2)CC1	2318596209	XHMFNIJBFFOVCA-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC[C@H]1CCC(C)(C)C1	2319022285	SWOAWMJIIAABAE-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)[C@H]2CCCCC23CC3)C1	2319034147	JLSPEKZBQXDSSF-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC(N)(C2CCC2)C2CCC2)C1	2319316914	GYFDBWFMBSVPPQ-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCC1CC1)C[C@@H]1CC[C@H]1C1CC1	2319549751	IKQQKRWAFHWGCX-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C[C@H]1CC[C@@H]1C1CC1	2319578618	KDXFUIZZHSDQGQ-FRFSOERESA-N	246.394	4.518	0	10	BJAE	
CC1([C@@H](N)CC[C@@H]2CC[C@H]2C2CC2)CCCCC1	2319735464	XGGNLYURFSWQAB-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CC1(NCC[C@H]2CC[C@H]2C2CC2)CCCCCC1	2319735650	YOXZHWPRVUMDAY-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1NCCCC1=CCCCC1	2320143011	GNKDLOKYNQGLAG-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H](C)C2CCCCC2)CC1	2320413754	UWXYBZMCUXJCAA-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@@H](C[C@@H]2CCC(C)=C(C)C2)NC)CC1	2320415984	GGAARZIIVJIXDV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)C)c1cccc(C(C)C)c1	2320514667	BUCJXRDKOAEPMG-RHSMWYFYSA-N	247.426	4.753	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C2CC(C)(C)C2)cc1	2321030902	VFYXSEJMAIHRRY-ZDUSSCGKSA-N	245.410	4.651	0	10	BJAE	
CC[C@H]1CC[C@](O)(c2cc(C)ccc2C(C)C)C1	2327700547	BXVSBNGBRUWBKW-WMLDXEAASA-N	246.394	4.516	0	10	BJAE	
CCC[C@H](CC)CN1CC=CCC12CCCCC2	2328101614	JZMLIERXUXGVQW-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@H](C)CC(C)(C)C2)c(F)c1	20371454	KNKJLKAYJOQPQT-STQMWFEESA-N	249.373	4.761	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1ccc(CC)s1	36942935	RVIQIHCVTWMXLG-LLVKDONJSA-N	238.396	4.710	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccccc1C	37031965	LULNWQGFXXUKLY-ZMSDIMECSA-N	245.410	4.614	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2ccc(Cl)cc2Cl)C1	70747807	JCGGDCRPBHDRCA-WCBMZHEXSA-N	244.165	4.594	0	10	BJAE	
Cc1ccc(Cl)c(C2CCCCC2)c1F	75841109	CSHOXOPZJZXERY-UHFFFAOYSA-N	226.722	4.835	0	10	BJAE	
CC(C)c1ccc(CCC[C@H](N)C(C)(C)C)cc1	80390624	CSJIOXRIDUPIGR-INIZCTEOSA-N	247.426	4.506	0	10	BJAE	
CCc1ccc([C@@H](CC)NC[C@H](C)C(C)C)cc1	81044922	SJAZHQNLSARWDN-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
C[C@H]1CC[C@H](NC2CCCCCCC2)C[C@@H]1C	84981585	WKVSTVJJXLAJQH-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCC[C@H](C)CC1	86879175	DEAJOVYEDHJPLB-SMDDNHRTSA-N	235.346	4.515	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCC[C@@H](CCC)CC1	86940027	DGOSCOWZMWVEHV-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc(N[C@H]2CCC(C)(C)C2)c(Cl)c1	87769758	QDOOGBRCIOPZRW-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCCN[C@@H](C1CCC(C)(C)CC1)C(C)(C)C	87943975	GUFPEWPJEUQUOK-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H]1CC[C@H](CC)C1	88018786	BYTQHZATBAKFRR-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC([C@@H](NC)c2ccco2)CC1	110226456	XWOLVCHBZUVPFI-ZBCRRDGASA-N	249.398	4.537	0	10	BJAE	
CCCCCC[C@H](NC)c1cccc(CCC)c1	131491598	VWTSAMRBTNXBNC-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CCCCCC[C@H](O)c1cccc(C(F)F)c1	132025970	DORCETDXEVDWEY-ZDUSSCGKSA-N	242.309	4.628	0	10	BJAE	
CC1([C@@H](N)c2ccccc2C2CCC2)CCCC1	132547946	HKLWOMUYVSFMMZ-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCCCCC(=O)c1oc2ccc(F)cc2c1C	135460202	KDRXFFDSUFKYJX-UHFFFAOYSA-N	248.297	4.643	0	10	BJAE	
CCC(CC)CC1(C(=O)O)CCCCCCC1	149869605	AZOPVKIBGJWNIW-UHFFFAOYSA-N	240.387	4.628	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@H]1C[C@@H](C)CC	155805745	WIVKKTNSUVEAPL-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@@H](CNC(C)(C)C)C1=CCCCC1	161463862	PPLYIGRYKSLPBS-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)CC(=O)[C@H](c1ccccc1)[C@@H](C)CC	165097900	MZQBDNUSSBNWNL-ZQIUZPCESA-N	246.394	4.822	0	10	BJAE	
CC(C)[C@H](CCC#N)C1CCCCCC1	167082089	KWKJPKARFFXEJW-AWEZNQCLSA-N	207.361	4.533	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@H]1CC(CC)CC	167560680	ZJDOUQUDVNRPCZ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NC)C1C[C@@H](C)C[C@H](C)C1	167994352	SRUSDQYILQLDOY-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)c1ccc(CC)cc1	212641173	CXONAJJKGAMSCC-RHSMWYFYSA-N	247.426	4.521	0	10	BJAE	
CCN[C@H](CC)[C@@H]1CCC[C@@H](C(C)(C)C)CC1	220796326	HQKDRMAIXWUQGO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C[C@@H](C)CC[C@@H]1C	222355084	FCPDBJIULLPERS-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC1CC1)Nc1ccccc1C(C)(C)C	229677089	GHDPTLMVZMZRHH-LBPRGKRZSA-N	231.383	4.585	0	10	BJAE	
C[C@@H](N[C@H]1CCC12CCCCC2)c1ccsc1	230169918	PYOWUWLRDPGMFP-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@@H](C)c2ccco2)C1	230767211	PSZUDIQCLXZMBD-SOUVJXGZSA-N	249.398	4.535	0	10	BJAE	
CCCCCCc1c[nH]c2ccc(Cl)cc12	232943409	GQYBKFVVKFIPHV-UHFFFAOYSA-N	235.758	4.944	0	10	BJAE	
CCC1(CN[C@@H](c2ccccc2)C(C)C)CCC1	233091127	BRWQBQVADZLPDU-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CN[C@@H](C1CCCCCC1)C1(C)CCCCC1	234390570	UKYLDJIULUGYFB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H]([C@H]1CCCC[C@H]1CC)C(C)(C)CC	253046095	PODYZDAZRDQZGZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cccc(NC)c2)cc1	259417352	YABZMFPQCAPCDT-CYBMUJFWSA-N	239.362	4.909	0	10	BJAE	
CC[C@H](C)[C@H]1CNc2ccc(C(C)(C)C)cc21	300262934	RNWMYSQWSRCANR-SMDDNHRTSA-N	231.383	4.539	0	10	BJAE	
CC(C)(C)CCCC(=O)C1CCCCCC1	300958989	YFNBNIYNKPCCPC-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCC1CCC(N)([C@@H]2C[C@H]3CC[C@H]2C3)CC1	302274217	ATKLNFJWHDFDOH-LHJGCZIBSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@](C)(CCCC(C)(C)C)C(C)C	302326901	RRBVLWLQEWLWJS-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
C[C@H](CCC(C)(C)C)Nc1cc(F)cc(F)c1	306020163	JKUOHOIRESXJIZ-SNVBAGLBSA-N	241.325	4.592	0	10	BJAE	
CSc1csc2c(Cl)c(Cl)ccc12	306604846	ZPYISVFWRHSOOL-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCCc1ccccc1[C@@H](O)[C@H](CC)CC(C)C	308030337	NPMZMLPPOGJQCK-PBHICJAKSA-N	248.410	4.745	0	10	BJAE	
C[C@H]1C[C@@H](CC2(C)CCC2)Nc2ccccc21	310260999	QMOTZRYTOKRLIF-STQMWFEESA-N	229.367	4.555	0	10	BJAE	
CC1(COc2cccc3ccccc23)CCCC1	311038918	ORAKNWUGYKEXGD-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
C[C@H](CCC(=O)c1ccccc1)C1CCCCC1	311111275	WQZVCVCJQPNOBT-CQSZACIVSA-N	244.378	4.866	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CCC)CCCC[C@H]1C	317403848	BCHFXGSYIYJUOB-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](Nc1cc(F)ccc1C)C1CCC1	322269898	KCUSXFXEMQSWFD-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CCCNCc1cccc(C2=CCCCCC2)c1	380676067	ODIFVXLSKSIJFZ-UHFFFAOYSA-N	243.394	4.534	0	10	BJAE	
CC1(c2c(F)cccc2Cl)CCCCC1	383557496	RJNJPMISMWXMAI-UHFFFAOYSA-N	226.722	4.701	0	10	BJAE	
CCc1cc(N[C@H](CC)C2CCCC2)ccc1C	387716783	ZZXDESUUKVHMAW-QGZVFWFLSA-N	245.410	4.938	0	10	BJAE	
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C1CCC(CCCN[C@@H](C2CCC2)C2CC2)CC1	395181689	FTUKZQVOJMQWRD-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](Nc1ccc(F)cc1C)[C@@H]1CC1(C)C	397796684	QXMWAXIQZFFOJG-ZFWWWQNUSA-N	249.373	4.761	0	10	BJAE	
CC[C@H]1CC[C@@](CNC(C)C)(CC2=CCCC2)C1	401164871	KQHDYYRLFJRDFJ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCC(CCC)[C@@H](O)CCC(C)(C)C1CC1	406041064	TYAJBTIMXKYLAU-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1cccc(-c2cccc(Cl)n2)c1	688898628	IBXOTBQBYHENDL-UHFFFAOYSA-N	231.726	4.525	0	10	BJAE	
CCc1cc(N[C@@H](C)c2ccccc2)ccc1F	690100366	WPNCKPQWMKFMIB-LBPRGKRZSA-N	243.325	4.561	0	10	BJAE	
CNc1ccc(CC2CCCCC2)c(Cl)c1	694960582	FLAQVAQUDCOILQ-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CN)C1CCCCC1	696848411	JTNDMDGPFQXWSF-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
CC(C)=CCCC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	697850071	KDNROSHXAVLGSX-CJNGLKHVSA-N	236.399	4.764	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCC=C(C)C)C1	697863516	CCWSXBPHIZFDRG-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCCNC/C(=C\[C@H]1CC1(C)C)C1CCCCC1	700663973	QCPVNPBMOUPEAR-SFKKXYGYSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)CCCC(C)(C)C	704469916	CISZGUGNDSPXCH-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCc1ccc(C(=O)[C@@H](C)CC(C)C)cc1CC	709120899	ARSXZGTZBOVWTE-ZDUSSCGKSA-N	246.394	4.676	0	10	BJAE	
Cc1cccc([C@@H](C)NC[C@@H](C)CC(C)(C)C)c1	709184548	BDOXUDQHMCGFMW-LSDHHAIUSA-N	247.426	4.718	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(O)CC2CCCCC2)C1	709756657	PEPLGSBNCRRKBF-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C12CCC(CC1)CC2	710045605	APNGRSVMYUZJSM-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1C[C@H]2CC[C@H](C2)C1	710863010	FFVVEDRVSRPKOS-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C[C@@H](O)c1sccc1C)C(C)(C)C	711212169	RDBXZHCAKCOGCC-NWDGAFQWSA-N	240.412	4.552	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(O)CCC1CCCC1	713034346	XRNRQYGGHHPGJL-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
Cc1scc(C(=O)CC(C)(C)C(C)C)c1C	713305377	DNMYACVAOQREBD-UHFFFAOYSA-N	238.396	4.620	0	10	BJAE	
C=C/C=C/CC[C@]1(CNC(C)(C)C)CCC[C@@H]1C	713741517	XUHBCKNHEBQDDT-CRLUXQHQSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)CC1(C)CC1	718503078	BBDQUXSVFZUPGQ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CCNCC[C@@H]1CCC[C@H](C)C1	718522504	ZSMSBVHRYKFYNA-HOCLYGCPSA-N	237.431	4.539	0	10	BJAE	
CCc1cccc2c3c([nH]c12)C(C)(C)CCCC3	719294102	MTMFWFZAYGNLCC-UHFFFAOYSA-N	241.378	4.734	0	10	BJAE	
CCC(C)(CC)[C@H](NC)c1cc(C)c(C)cc1C	721663511	JSDXLOLBHTZLOL-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CCCc1ccc([C@H](NC)C(C)(CC)CC)cc1	721664193	UUKMPICLDTYLAZ-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
COc1c(CC2CCCCC2)cccc1C(C)C	725415320	PCKPNHXEPUFJQQ-UHFFFAOYSA-N	246.394	4.941	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2CCCCC23CCCC3)CC1	1205944536	ZCZFYHDJWOYPJF-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@@]1(C)CCCC[C@@H]1C	1462315488	VBPWHTFZBCGIHL-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
c1cnc2c(SCCCC3CC3)cccc2c1	1559352607	VEHDCJUGTBLFEP-UHFFFAOYSA-N	243.375	4.517	0	10	BJAE	
CCC[C@H]1CCCN1CCC1CCCCCC1	1656383981	BRJPBNIKHKSXPL-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CCC(CC)CC	1900693462	NYSFKINTODSDPN-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
CC(=CCC(=O)C(C)(C)C)CCCC(C)C	1900876157	SCGWVTFZNTYJEI-UHFFFAOYSA-N	224.388	4.764	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@]1(C)CCCC(C)(C)C1	1909697436	KAEWRWVZXSPZRX-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C)C(C)=CC(CC)(CC)CC	1911645961	RVQYLEMKTZZORA-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
C=CC=CCCC1(N)CCC(CCCC)CC1	1912139302	UQICXVRQRKVZRZ-UHFFFAOYSA-N	235.415	4.587	0	10	BJAE	
Fc1cccc(CC[C@H]2C=CCCCC2)c1F	1925823642	HHPZNFGBOBDOIA-LBPRGKRZSA-N	236.305	4.644	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)C[C@H]1C=CCCCC1	1925918288	SIBNYZRMRMWIOB-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)C[C@@H](N)Cc1ccccc1C(C)C	1926384900	UHOKXEBROBOGAM-MRXNPFEDSA-N	247.426	4.506	0	10	BJAE	
CCN[C@@H](CC(CC)CC)c1cccc(CC)c1	1926385435	WOPVBAXRMSRAJS-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
Clc1ccc(Cl)c(CC[C@H]2C=CCC2)c1	1932591612	AXSPPGNMRJPPNZ-JTQLQIEISA-N	241.161	4.892	0	10	BJAE	
C1CC[C@@H]2[C@H](C1)C[C@@H]1[C@@H]3CCCC[C@@H]3C[C@H]21	1933278074	HYWZGHCYRBLPFH-VUVWGQCBSA-N	218.384	4.639	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)CCC(C)(C)C	1937267434	NBCDEZHRLRJROQ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@H](C)C1(O)CCCCCCCCC1	1938718468	ILDUYKBYUMGPJI-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)c1cscc1C	1938843878	SZWHVHDXOJTLGW-FZMZJTMJSA-N	239.428	4.533	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H](C)C1CC1)NCC	1940722945	NFTZKTSEBPOMCM-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@H](N)CC[C@@H]2CC2(C)C)CCCCC1	1940861455	CVOGYPOUYXYYBY-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)CN[C@H]1C[C@H](C)CC(C)(C)C1	1941354800	HSRBFLLIZXCBKP-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CC1CCC=CCC1	1941794398	UMRQFIDQMIYLNJ-HZPDHXFCSA-N	237.431	4.523	0	10	BJAE	
Cc1ccc(C(=O)[C@]23CCCC[C@H]2CCC3)s1	1944220755	HHOZOQFPAPAVTK-WFASDCNBSA-N	248.391	4.600	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@@H]1CCC[C@H]1C	1944836653	MKEZFVIPFVHRMZ-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC(F)F)NC1CCCCCCCCC1	1947881517	PPAXGIOVSCIKGH-LBPRGKRZSA-N	247.373	4.513	0	10	BJAE	
CCCC[C@@H](CCC1CCC(C)(C)CC1)NC	1948424423	BXQATAMGWQGZNZ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C1(C)CCCCCC1	1949041948	VUIKEMTXWOJHGB-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H]([C@H]2CCC(C)(C)C2)C1	1949498868	YFLRHVBROJOXPC-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)(CCC[C@@H](O)CC1CCCC1)C1CC1	1949870672	QTLWPPIHGAXGRO-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC=C[C@H](C)Cc1ccc(OCCC)cc1C	1951308314	DSXVPWPJGGYDLT-ZDUSSCGKSA-N	232.367	4.539	0	10	BJAE	
CC=C[C@H](C)Cc1ccc(OCC(C)C)cc1C	1951308635	KNTUKKDRAUDHQA-AWEZNQCLSA-N	246.394	4.785	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CCCC[C@@H]3C2)CC1	1966046942	YOBLBDFLTDXECE-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1OCC[C@H]1CCC[C@@H](C)C1	1968271884	YMYDWKZQCNSSCF-UKRRQHHQSA-N	232.367	4.590	0	10	BJAE	
CC[C@H](NCc1ccccc1C(C)(C)C)C(C)C	1970464730	HIKBQGAPNUBJIO-INIZCTEOSA-N	247.426	4.508	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1CCC[C@H](CC)CC1	1976344010	ZMOIBQIAVOSUGW-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC=CCCCCC(=O)CC1CCCCC1	1984590596	DPVOIJRXYZSWDN-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CC[C@](N)(CCC(C)C)CCC1CCCC1	1986936601	FWMMQQXAELZDFN-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H]1CCC(C)(C)C1	1990092067	UXJPLAHOBOHTSD-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](CC)NC1CCCCCC1	1990093506	LQLKMBZWXKSGPR-AWEZNQCLSA-N	225.420	4.658	0	10	BJAE	
CCC(C)(C)CCC(=O)CCCC(C)(F)F	1993575686	MKFMQUWSCGLFGM-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC=C(C)C)NC	1993588002	PRMCMFJQEMHZDI-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@@H]1CCCC(C)(C)C1	1994026223	ODBZEBSFPVRBLV-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1csc(C)c1	1995262044	KBNOIXFEJUENKQ-RISCZKNCSA-N	239.428	4.663	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCC[C@H](CC)CC1	1997116715	MMHZWCUTQADFOT-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2CCCC2)CC1	1997118340	XCGXBPOOGNHMPE-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)=C(C)CCNC[C@@H]1CCC[C@H](C)CC1	1997211749	QBLGBZGWAIFANQ-GOEBONIOSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)C[C@@H](C[C@@H]1CCC=CCCC1)NC	1999994389	UQLVJJPNYKBLGQ-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@@H]1CCCC(C)(C)C1	2000156427	YWGGUQQEWNSGJZ-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC(C)(C)C(C)C)C1	2000171308	YEHUTGNEAFDZCK-JSGCOSHPSA-N	236.399	4.620	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)C1(C)CCCCCC1	2000370589	DECLYLYNLXXWSA-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@@H]1CC[C@H](C)C1	2000504844	LSAZVXFDMDMXCY-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)C[C@]1(C)CCCC1(F)F	2002581864	YSYPFIKVHNJSLQ-ZDUSSCGKSA-N	246.341	4.742	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(CN)CCCC(C)(C)C1	2002975215	XDETXSYIGZAMJL-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
Cc1cccc(C(=O)CCC2(C)CCCC2)c1	2003648202	VEQKUCXSNLLHFA-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CN[C@H](CCCCCCC(C)C)c1ccco1	2003688749	UAGYVTSMYPFMKP-CQSZACIVSA-N	237.387	4.537	0	10	BJAE	
CCC1(C[C@H](O)C2(C)CCC(C)CC2)CCC1	2007698367	SLRBEHRYRSGOMU-SLTAFYQDSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(=O)[C@H]([C@H]2CCC(C)(C)C2)CC1	2009404626	PIUIFWGRMKMCLT-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C	2009573780	BTUDWPVCVMOPAT-JQBOLYQISA-N	236.399	4.764	0	10	BJAE	
CCCC1CC(N[C@@H](CC)C2CCCCC2)C1	2009718024	ROJJUHNTDCLFQU-BCLQGDPASA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@](CC)(C(C)C)[C@H](C)[C@@H](C)CC	2012414422	VVIQXPJUDZYYBH-ARFHVFGLSA-N	241.463	4.721	0	10	BJAE	
CC(C)C(C)(C)CN1CCCCCCCCC1	2013184594	LXOBLMXLDKTCMC-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)C1(C)CCCC1	2014326913	SYPJVIRATQEXSF-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cc(C)cc(C)c1	2016143237	DRBPHMXNUPXBGK-HNNXBMFYSA-N	231.383	4.850	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2(C(C)(C)C)CCC2)C1	2017098942	ZVGATYIUEMHLTD-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC(C)C1(C[C@@H](O)CC2(C)CCCC2)CCC1	2017122301	ZDGATEGUBSRBBW-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)N(C)CC1(C(C)(C)C)CCC1	2017128678	GAKGPGOBTLANDR-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@@H]2CCC2(C)C)CC1	2017655766	PKWQQCQLZHHYCC-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@H](CC)CC1CCC(CC)CC1	2017724778	OGZCHYPRVSZILC-HWOWSKLDSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@H]1CCC[C@H](C)CC1	2017742849	RGHCAEZMDCTROC-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C1CCC1)C1CC1	2018128240	XOYHKPCONQPYRD-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H]1CCCC1(F)F	2018132598	ZVPQJHAHLUCPHU-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@H]1CCNC2(CCCCC2)C1	2018645849	PNYIITSKXNAABH-HNNXBMFYSA-N	237.431	4.659	0	10	BJAE	
CCCCN(CCCC)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2019123807	JPBJMTIILRABBA-OWCLPIDISA-N	239.447	4.713	0	10	BJAE	
CCCCN(CCC1CCCCC1)[C@H](C)CC	2019181162	IHPNPRNVLIUOTQ-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCN(C1CCCCCC1)[C@H]1CCC[C@@H](C)C1	2020506883	XXBMRTRKLWGIKD-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@H](C[C@H](C)CC(C)(C)C)NCC	2020969249	NQRTYVGDGWRCDE-ZFWWWQNUSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1C[C@@H]1C1CCCCC1	2022438103	XMZVAHYKYOIZLE-XHSDSOJGSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC1(C(=O)CCCCC(C)(F)F)CC1	2023323731	WMTUJMFQXOWALE-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCCCC[C@H]1CC(C)(C)CC[C@H]1NCC	2024120665	YCHJZXJANQBQTQ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@@H]1CCCC(C)(C)C1	2024124222	ORPATKCADUJPAR-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCC)C1CC=CC1	2026059492	JBINMPWUZDCAGP-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@@H]1C=CCCC1	2026147550	VAVXZJUOKKBVLA-ARFHVFGLSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)[C@H]1CCC1(C)C	2026170145	NQXXIVSWTXGMSN-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC[C@H](C)C(F)F	2026170512	QEPOPXYEQKTREK-RWMBFGLXSA-N	249.389	4.602	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@]12CCCC[C@@H]1C2	2027841583	ANGPSJXCAHPUAN-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@]2(CC1)Nc1ccccc1O2	2027873988	CYESUOXRGQCYCV-BBRMVZONSA-N	245.366	4.568	0	10	BJAE	
CCCc1ccccc1[C@H](O)CCCC(C)(C)C	2027895740	BFMHYKHDGSVRLI-MRXNPFEDSA-N	248.410	4.889	0	10	BJAE	
CCN[C@H](CC1CCC1)[C@@]12CCCC[C@@H]1CCC2	2031759008	MQPGMMWDLCXOIW-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@@H]1CCCC[C@@H]1C[C@H]1C=CCCC1	2035603390	ZBTPONOTEOCZJK-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)c1ccc(CCCCCCCN)cc1	2036116259	MYWJGEWFJBBIGB-OAHLLOKOSA-N	247.426	4.652	0	10	BJAE	
CCC1(C)CC(CN[C@H]2CCC23CCCCC3)C1	2036472729	BVOIMOZMKLKIEV-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)CC1	2036664573	LDANCKQLINLHMA-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@H](C2CCC2)CN1C1CCCCCC1	2036779401	ILARUHDRGLDGSO-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C2=CCCCCC2)CC1	2037094988	XEHLSWDUAAZIGL-NVXWUHKLSA-N	249.442	4.955	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CC1CCC=CCC1	2037207380	VBKRXLWJUBISKU-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1c2ccccc2NC[C@H]1C	2037221411	SVYNUTYRJBKGQY-JJRVBVJISA-N	245.410	4.904	0	10	BJAE	
CCc1ccccc1O[C@H]1CCC2(CCCC2)C1	2037683871	VXXVFJGVSWCWHT-HNNXBMFYSA-N	244.378	4.741	0	10	BJAE	
CC(C)c1ccccc1NC1C[C@@H]2CCC[C@H]2C1	2038624407	ZVQOKSAYUGQJNP-KBPBESRZSA-N	243.394	4.801	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H]1CCC[C@@H](C)CC1	2039364307	WRNZWPBEIDVEJA-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@H]1CCC[C@H](C)CC1	2039371315	VTZNKGPDDNVKOO-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2[C@@H]3CCCC[C@@H]23)CC1	2039383601	HTXFOMGBXCISKQ-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CC1(c2cc3cc(F)cc(F)c3[nH]2)CCCCC1	2039847199	QHQXZZNZZFXBJM-UHFFFAOYSA-N	249.304	4.668	0	10	BJAE	
C[C@H](N[C@H]1CCC12CCCC2)C1(C)CCCCC1	2039868252	OKRYYGYEQHRTTK-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CN[C@H](CCC=C(C)C)c1ccccc1C1CC1	2042296997	PPMIIZMYWWRUDH-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCC2CCCCC2)C1	2045561341	XQMIQYUYLMMNLI-BBRMVZONSA-N	248.410	4.908	0	10	BJAE	
CCN(C1CCCCC1)[C@H]1CCC2(CCCC2)C1	2046569790	ZHXUTTZGBIBOSC-INIZCTEOSA-N	249.442	4.754	0	10	BJAE	
CCC1CCC(N(C)C[C@@H]2C=CCCCC2)CC1	2046574333	CAGCDCLDVFADJE-AQFXKWCLSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC(N)(C[C@H]2CC23CCCCC3)CC1	2047005967	XDMVYCIKSUCSQT-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@H]2CC23CCCC3)C1	2047060713	ZNUIPGKRZYYYAX-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047424408	KUVNOGHAZKEHCN-ARFHVFGLSA-N	246.394	4.684	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@@H]1CCC12CCC2	2047939797	QDAMLOSWGXRVSB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2[C@H]3CCCCC[C@H]32)CCCC1	2048441810	QTBXIANTRVCJLV-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(O[C@H]2[C@H]3CCCC[C@H]32)cc1	2049204245	SEQXTMFWERCOAC-VDNDLQMASA-N	244.378	4.768	0	10	BJAE	
N[C@H](CC[C@@H]1CCCC2(CC2)C1)CC1CCCC1	2049857894	QHOUIWRCCHSIKK-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@]1(C)C=CCC1	2050006021	KFGPOHKSTQUKCE-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c(NC2C3CCCC2CCC3)c1	2050042792	QYXGCGAGWWMFOU-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
Cc1ccc(C(=O)CC[C@H]2C=CCCCC2)cc1	2050450339	NIZIYNJMFWCXEE-HNNXBMFYSA-N	242.362	4.704	0	10	BJAE	
CCN[C@H](CC=C(C)C)c1cc(C)c(C)cc1C	2051404367	MVUXLCMNZBIKBW-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@H]2CC[C@H]21)C1CCCC1	2052307104	FUUWHYSLGDWKPA-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC=C1C)c1cccc(C)c1	2055668350	CKLADAMGBQYZLS-SJORKVTESA-N	243.394	4.535	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@]1(C)C=CCCC1	2056875243	FCXIRTREADVEAF-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCCc1ccccc1NC[C@H](F)C1CCCC1	2058032694	YXPCRQDCYKDZFO-HNNXBMFYSA-N	249.373	4.579	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@]12CCCC[C@H]1C2	2059256501	PNBJPXODUQRFKG-IVDNXHHHSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(N[C@H]2CCC[C@H](C3CC3)C2)C1	2059489537	FCHPPSAMABYKPM-DBGUYSSFSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](CC)CC1)C1(CC)CC1	2061088035	KBXSUKPIXSKMTB-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCC[C@H](CC)CC2)CC1	2061114323	XKJCZKDNUYBKCC-ZMSDIMECSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@H]1NCC[C@@]12CCCC1(CCCCC1)C2	2061513349	RCOSWHFVEOCZLU-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@@]23CCC[C@@H]2C3)CC1	2061600946	DDZOKYQNACEWAZ-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
CC(C)Cc1cccc(CC2CC(=C3CC3)C2)c1	2061719145	VLTBFIZWTQOIPQ-UHFFFAOYSA-N	240.390	4.928	0	10	BJAE	
C1CC(=C2CC(CC[C@@H]3C[C@@H]4CC[C@H](C3)O4)C2)C1	2061719938	FHJWUUZGLKZACU-AYGBPOKTSA-N	246.394	4.615	0	10	BJAE	
CC(C)(C)C(C)(C)CNCC1CC(=C2CCC2)C1	2061723583	RWXPFKWRRVFNQO-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)C1(C)CCC2(CC2)CC1	2062653989	XECYUUORNOONCU-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)CC12CCC(CC1)CC2	2065340355	VPOBDXPXKKUZQA-XGHPGWEVSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cc(O)c(C)cc1C	2065468430	JFVMACJFKFDNGY-SMDDNHRTSA-N	249.398	4.636	0	10	BJAE	
CCC[C@@H](C)CN[C@@H](CC)c1ccc(CC)cc1	2066311780	BCNOTMJQBUOLQQ-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCCC1(C[C@H](N)C[C@H]2C[C@H]3CC[C@H]2C3)CCC1	2069339423	IYOVZVRNMLTJGZ-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)C[C@@H]1C[C@@H]1C	2071502934	DIWGJGKRRHZNMZ-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@@H]1CC)C[C@@H]1C=CCCCC1	2071509277	ALTJLJJMAXYUEN-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC[C@H]1C[C@H]1C)c1cccc(C(C)C)c1	2072090769	KTVKQLSRBJHWQP-UKPHBRMFSA-N	245.410	4.507	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1CC2(C1)CC21CC1	2072227045	DSORTTSULMFVGR-XOYHFGRZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC12CCC2)C(C)=C(C)C	2072424605	LADXOJOLYVPXBI-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)c2ccccc2C)CC1	2072662697	KDVAKNANLVYALX-ZOBUZTSGSA-N	246.394	4.635	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@@H]2CCCC23CC3)CC1	2072796591	PVHJBFIBHJBYBC-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@H]1CC[C@H](C)CC1	2072870994	JQVFTHRJQLTONN-NNUKFRKNSA-N	244.378	4.703	0	10	BJAE	
CCCC1CCC(CC(=O)C2[C@H]3CCC[C@H]23)CC1	2072875848	STFNQHVWHFQTDX-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2CCNC3(CCCC3)C2)C1	2074145548	QYPKXDREVIJYER-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](NC)[C@]23CCCC[C@H]2CCC3)CC1	2074640036	AWLBTTCKGZLYHC-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CN(C)CCC2=CCCCC2)C1	2075145816	LQRRJBLBXQMYSF-WBVHZDCISA-N	249.442	4.635	0	10	BJAE	
CN[C@H]1[C@H](CCC2=CCCCC2)CCCC1(C)C	2076394507	BRGBHUQHLHXFHC-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@H]1CCC2(CC2)C1	2078338080	PWQDBPHUXMIDOX-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@H]2C[C@H]2C(C)C)cc1	2079551743	ACDVGUYNRMLYMU-IXDOHACOSA-N	246.394	4.526	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)C(C)(C)C1CCCC1	2080243202	QXLMOFXRNICGTG-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)c1ccccc1CC	2081207842	YKMQSJAMHIQCEJ-LSDHHAIUSA-N	247.426	4.726	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC1C2(CCC2)C12CCC2	2083569314	YDZUKJGRLKDTBZ-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
CC=C(CC)c1cc([C@H](C)NCCC)ccc1C	2084697684	OZACETXLZKASHK-AWEZNQCLSA-N	245.410	4.869	0	10	BJAE	
CCN[C@@H](CCCCCCC1CC1)C1CCC1	2213573335	GPONIBXGUNEKOW-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCCCCCC1CC1)[C@@H](C)CC	2213574299	RQIDZLOXYTYVOG-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
O[C@H](CCCCC1CC1)CC1CCCCCC1	2214568567	IPPQDWRLDRPTSW-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CCCCC1CC1	2214570821	UYDDGFORYQTBJY-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CCCC(C)C)CC(C)C	2217124911	LHIFYDIHWIBYOC-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
C(CCN[C@@H]1C[C@H]2CCC[C@H](C2)C1)CCC1CC1	2218340482	PPZYVUAQMNCNCK-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)CCCC12CCCCC2	2220878885	OJMYTHLJKKUHPO-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC1(NCC2CCCCCCC2)CC2(CCC2)C1	2220974704	KZPAEAHLGCLWHF-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](c1c(C)cccc1C)C1(C)CCCC1	2222011558	NJSQHEDTSJHWBC-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@H](CN[C@H](C)CC)c1cccc(C)c1	2223551849	SUJWMGUANZSHHD-NVXWUHKLSA-N	247.426	4.657	0	10	BJAE	
CC(C)CC(=O)CCC[C@H]1CCC[C@@H](C)C1	2242760395	MVFDQLLTMWAMIR-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@](C)(CN)CC[C@@H]1CCC[C@H](C)C1	2246658621	CDOBHGOZEPWXBY-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
CCN(CCCCC[C@@H]1C[C@H]1C)CC(C)(C)C	2248851560	HQZCSJMBRFVNHL-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@@H](CC)CCC	2250359830	FPMFEHQLQPYTBB-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](CC)c1ccccc1	2250378766	QBACRUSJVGBAAD-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](CO)C(C)(C)C	2250517166	BDCDKGPCQHWDQZ-LSDHHAIUSA-N	242.447	4.884	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)C1CC(C)C1	2250517676	DZHQBKOWDIJYGP-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@](C)(N)C(C)(C)C)C1	2251604478	PIGVZWBVFJYGMF-SEEARECTSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@H]1[C@H](O)C(C)(C)CCC1(C)C	2251710639	CROWPQQCNOONJU-STQMWFEESA-N	240.431	4.636	0	10	BJAE	
C[C@@H]([C@H](O)c1ccc2ccsc2c1)C(C)(C)C	2253089110	ZZMWIPMJKPGONZ-HZMBPMFUSA-N	248.391	4.617	0	10	BJAE	
Cc1cccc2c1N[C@@H](CCC1CCCC1)CC2	2253855737	MPYAYNBWKIYOBO-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC2(CC3CC3)CCC2)C1	2253951191	JOKKHEYFXKPVIW-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H]1CCCNC12CCCC2	2254520310	HZWKKNMFTAFAEI-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H]1CCNc2ccccc21	2254606971	RNXVGQHYNCIRGE-RBSFLKMASA-N	243.394	4.802	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@H](C)[C@@H]1CC1=CCCCC1	2255091345	JENWUBGIIPXQBE-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
C1=C(CN[C@@H]2CCCC3(CCCC3)C2)CCCC1	2255106204	VETXLLZFXVCVBY-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C1(C(C)(C)C)CCC1	2255138055	SQJSAAXFUKOJKG-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C[C@@H]1CCCC12CC2	2255336458	WVPGJOHVTFMXDI-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CC[C@H](C(C)C)C1	2256147743	TXPLXDHIOTZNNU-KBPBESRZSA-N	249.373	4.625	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H]2C[C@@H]2C(C)C)cc1	2256229725	FTNSVYVRTJIUQB-HZPDHXFCSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@@H]2CC[C@H](F)C2)c1	2257959164	GXKCXELHQRNEPV-OCCSQVGLSA-N	249.373	4.534	0	10	BJAE	
CCCc1ccc([C@H](NC)[C@H](CC)CCC)cc1	2259444014	XMBBPOKIHISMRI-NVXWUHKLSA-N	247.426	4.726	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)CC1CC(C)(C)C1)C2	2259580559	MVLNNSXBBTWKPX-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1([C@H](N)C[C@]23CCCC[C@H]2CC3)CCC1	2260601246	ICTVTDVYAOVDDO-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CC=C[C@H](C)Cc1ccc(Cl)c(Cl)c1	2296091696	KBLQODUXSDVOOC-VIFPVBQESA-N	229.150	4.748	0	10	BJAE	
CCCC[C@@](C)(CNCCC)[C@H](C)CC1CC1	2298878480	LKSYNGLEOAFFDG-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC1CCC1)[C@H]1CCCCCCC[C@H]1O	2298916726	OSBULHYWXJAUFU-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC(N)(CC1CC1)CC1CC1	2300167251	WPWBFLCBGYBDEB-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@]12CCC[C@H]1CC2	2300506121	VDECWSWREZKAQC-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCC1([C@H](N)CC=C(C)CCCC(C)C)CC1	2300877809	UXZNJQJJEDKFFJ-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CCC[C@@H](CC(C)C)C1	2300898853	IQRXSDRCEQFAKS-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)CC1CCCCCC1	2301143975	ZAOUJOPQMFTVCI-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@H](C)[C@H](C)C(C)C	2301900475	SZGHWSLHCOOYEI-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CC(=O)[C@H]1CC(C)(C)[C@@H]1C)C(C)(C)C	2302149136	YNDMNTGIBMQOGZ-UPJWGTAASA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1CCCC1=CCCCC1	2302331611	NPULCBNGIFMCSI-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
CC1=C(C)C[C@@H](COc2ccccc2C)CC1	2303574561	AFGPIJCEESICOC-HNNXBMFYSA-N	230.351	4.510	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CCCC2(CC2)C1	2307829774	WYOGPJLYNZPURZ-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CCC[C@@H](N)c1ccccc1	2307907007	JLZGLPNXOIOMTL-GDBMZVCRSA-N	233.399	4.683	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@@H]1C)c1ccc(C(C)C)cc1	2310950141	SOYKXHLZTYZEQH-JQFCIGGWSA-N	245.410	4.507	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	2311479178	HMMHNCGITSLYQI-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](N)[C@@H]1CCCCC12CCC2	2311563773	QQTHBHIQQIYMNK-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311610442	QXKBXAIUCNMXFZ-MMTVNHQJSA-N	248.410	4.598	0	10	BJAE	
C(CCCN[C@H]1CC[C@@H]2C[C@@H]2C1)CCCC1CC1	2312600995	NGEHAGNNPOLWDA-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@@H]1C[C@@H]2CC[C@H]1C2	2312930608	GBMHUSNCQUZGFG-UGUYLWEFSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)CC[C@H](N)C(C)(C)c1ccccc1	2316247087	AGQQYGFNKNGGJE-INIZCTEOSA-N	247.426	4.508	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C1(CC2CC2)CCC1	2316870783	ULCNWGZKFGURDT-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1=O	2317006861	JAEXKUIEKVWFAE-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@H](C)c1nc2ccc(C3CC3)cc2[nH]1	2317130736	CNFJZMQSQSJZFI-NSHDSACASA-N	242.366	4.590	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](O)c1ccc(C2CC2)cc1	2317839982	UUCDIALLDPQJEV-GDZNZVCISA-N	246.394	4.526	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)c1cccc2ccoc12	2317840649	XPNCLGWJYWMEFK-VXGBXAGGSA-N	244.334	4.544	0	10	BJAE	
CCCCCCc1ccccc1[C@H](C)NCCC	2318364280	LBJOAMFUPUCWDV-HNNXBMFYSA-N	247.426	4.870	0	10	BJAE	
C1=C(CCCNC23CCCC2CCC3)CCCC1	2318544044	UYODWGXTNVUFGI-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CC[C@@H]2C(C)(C)C)cc1	2320153313	DRMVRNXEJOZPTE-CABCVRRESA-N	244.378	4.504	0	10	BJAE	
CC(=C[C@H]1CCC(C)=C(C)C1)C[C@@H]1CCCCN1	2320349006	VWSURNUCPHSMCY-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@H]2C2CC2)c1F	2327807367	GCQVIJUNYFFSKX-UONOGXRCSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H](C)c1ccc(C)cc1	2328279663	XRRPPZKOBHOXLM-VYDXJSESSA-N	248.410	4.676	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H](CC)c1ccccc1	2328280535	AVUPANFEWDAOAQ-UAGQMJEPSA-N	248.410	4.758	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1ccc(C)c(C)c1	20587047	QLIQREATWXXEEG-GDBMZVCRSA-N	233.399	4.520	0	10	BJAE	
CCC(CC)CNCCCCCCC(C)C	21012504	PPXQWKAXMWGQBX-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCN[C@H](c1ccc([C@H](C)CC)cc1)C1CCC1	35544398	ZZFZOFYPWVJSQM-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H](c1ccc(C(C)C)cc1)[C@@H]1C[C@@H]1C	36820177	BIZRLGRHKWNEJK-XKQJLSEDSA-N	245.410	4.507	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCCC[C@H]1C	36974288	INLHMFJFKVJDDB-UKRRQHHQSA-N	231.383	4.630	0	10	BJAE	
CC[C@H](C)Nc1ccccc1-c1cccs1	37075694	KSUXNIBTWCCAEY-NSHDSACASA-N	231.364	4.626	0	10	BJAE	
CCC[C@H](C)N[C@H](c1ccccc1)C(CC)CC	37107769	OVRVBZQTUDWTDI-YOEHRIQHSA-N	247.426	4.942	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(C(F)(F)F)cc1	37199206	TYUIRZJSYOHSKG-JTQLQIEISA-N	245.288	4.696	0	10	BJAE	
Cc1ccc(COc2ccc(C(C)C)cc2)cc1	70236389	NCQYLXJTMHHPBY-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CCCC[C@H](CC)CCC[C@H](C)NCCC	70743984	AADWQJUZHXESRC-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
Cc1ccc(C)c(CNc2c(C)cccc2C)c1	83367352	XBUFOXGULJXBIH-UHFFFAOYSA-N	239.362	4.532	0	10	BJAE	
CCCN[C@@H](C1CCC(CC)CC1)[C@H](C)CC	85081034	RWPLVDQYVCIWEL-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@H](C)C[C@@H]1C	85097352	CQCUVIYWTQSFNJ-OFQRWUPVSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCCC1(C)C	86873878	FZLJFHTYVVGSEG-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCCCCCN[C@@H]1CCC[C@@H](CCC)CC1	86923294	YUOSNLDSVFKZSO-HZPDHXFCSA-N	239.447	4.905	0	10	BJAE	
Cc1cccc(C(=O)C2CCC(C(C)C)CC2)c1	87960428	CAJIOCUGKXFDFU-UHFFFAOYSA-N	244.378	4.640	0	10	BJAE	
CCc1cccc(C)c1NC[C@H]1CCC[C@@H](C)C1	89607916	LWGURPQPKYFMFX-HIFRSBDPSA-N	245.410	4.796	0	10	BJAE	
CCC[C@H](C)C[C@H](CNC(C)(C)C)CC(C)C	110183732	OIHJGKPJFYMEAQ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1Cc2[nH]c(C3CCCCCC3)nc2[C@@H](C)C1	122406690	ZWAFPBLYUJXSTN-RYUDHWBXSA-N	246.398	4.533	0	10	BJAE	
CC(C)CCCCN[C@H]1CCC(C)(C)C[C@@H]1C	134297715	SVMNZTGYCZTRNU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCN[C@H]1CC[C@H](C)c2ccccc21	136961951	UKLWAKQRZPRHKB-YOEHRIQHSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CC1=CCCCC1	161040780	XVUZPIRJMUWTLC-GOEBONIOSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1C)[C@@H](C)CCC	163538854	SCGIQMVJSMDVFJ-WMLDXEAASA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](CCCCC(C)C)CC(C)C	165502602	UZRRRZFEVQFRIZ-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CNCC(C)C)C1CCCCCC1	167928462	HXHSBGNBTKPMLX-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCNCC/C=C(\C)[C@@H]1CCCC[C@@H]1CC	211731858	ODALLTKJLNHZTQ-GQXMGIGRSA-N	237.431	4.539	0	10	BJAE	
CC(C)[C@@H]1CNc2c(cccc2C(C)(C)C)S1	214913303	NUFSCXULCNZQHH-ZDUSSCGKSA-N	249.423	4.526	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC[C@@H](C)[C@@H](C)C1	220648506	DXBYBNSVDXBBBD-INWMFGNUSA-N	245.410	4.794	0	10	BJAE	
Cc1ccc(C(=O)C2CCCCCCC2)cc1F	223778614	TWUHSGRZXYGCQI-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@H]1CCC[C@H](C)C1	251288511	HGGFZYCMBQIBBB-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	253184831	HSWZUDSUBUXUJM-QLFBSQMISA-N	236.399	4.598	0	10	BJAE	
Cc1cccc2c(CSC(C)C)csc12	257855275	CYPBLIVRXFLDKU-UHFFFAOYSA-N	236.405	4.851	0	10	BJAE	
Cc1ccc(C(C)C)cc1-c1nc(S)cs1	259432984	WGLAUQJLBDMLDD-UHFFFAOYSA-N	249.404	4.531	0	10	BJAE	
CCCC1(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	300575651	OVXIOAFGCVXFNH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)NCC1CCCCCCC1	300910602	XUGBHMBAANQIQO-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCCCCC(=O)C[C@@H](C)CC(C)C	300915946	MJCZUYCTCXFARI-ZDUSSCGKSA-N	212.377	4.598	0	10	BJAE	
Fc1ccc2ccn(C3CCCCCC3)c2c1	301865629	YUMIIESLELRTML-UHFFFAOYSA-N	231.314	4.676	0	10	BJAE	
CCc1cc(NCc2sccc2C)ccc1C	302340499	UPIOYXODXDOIGE-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cc2cc(F)ccc2o1	305973872	GZQNWCRMLYODNN-SNVBAGLBSA-N	248.297	4.581	0	10	BJAE	
Cc1cccc2c1ccn2CCC1CCCC1	305976973	QRSQJWKHNCKSFQ-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
C[C@@H](C[C@@H](N)C[C@H]1CCC[C@@H](C)C1)C(C)(C)C	310103534	CFMZRJBYEJLSEC-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](O)c1ccccc1C(C)C	310120396	UXYCVILWSYPZAI-INIZCTEOSA-N	234.383	4.814	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccccc1C(C)C	310463462	WJJPMNYWTRBOJF-CJNGLKHVSA-N	234.383	4.670	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CCC[C@H](C)C1	310510999	LNDZFAWVUUGSOA-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cc(CC)ccc1CC	310629244	ZUXNAKXPCFMAPN-DYVFJYSZSA-N	247.426	4.638	0	10	BJAE	
CCCC1(C(=O)c2ccc(CC)c(CC)c2)CC1	310793484	RIAWBWKGARFNKJ-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CCc1ccccc1[C@@H](O)CC1CCCCCC1	310800078	DEYYQXUAGXCWFJ-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
Cc1cccc(N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C	315217598	UBCVQKZSSJGMGV-YHUYYLMFSA-N	243.394	4.540	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1ccc2sccc2c1	319967117	HYCMAAYDRADQGC-QWRGUYRKSA-N	246.375	4.766	0	10	BJAE	
CCC1CCC(CN)(CC2(C)CCCC2)CC1	380021851	MWKLBKRQKPNXRZ-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC(C)CCCCCn1ccc2ccc(F)cc21	383144753	NFTQUZPUIKHHSO-UHFFFAOYSA-N	247.357	4.997	0	10	BJAE	
CCNC[C@H]1CCCC[C@@H]1CCC1=CCCCC1	384994387	UHFLLNLWKLQISU-IAGOWNOFSA-N	249.442	4.683	0	10	BJAE	
C1CCCC([C@@H]2NC[C@@H]2C2CCCCC2)CCC1	385111143	CWGIGUNPJVNWOM-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CC2CCC(C)CC2)c1	385304614	XEIKRIMCSVHUDC-MWHAMWOXSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc(NCC2(C)CCCCC2)cc1F	394542148	BHNTXUKBDQFUIM-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H]1CCCC[C@@H]1C	395042573	NXWAVWGVHVILAT-BHYGNILZSA-N	245.410	4.554	0	10	BJAE	
CC(C)NC[C@@H](C)[C@H](C)CCC1=CCCCC1	395311117	HAEMZDFEJKBWLB-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](Nc1ccc2c(c1)CCC2)C1CCCC1	395675124	JAGZHZHXBWFWKC-QGZVFWFLSA-N	243.394	4.556	0	10	BJAE	
CSc1cc2ccc(F)c(C(F)F)c2s1	396233616	DWPBAOAEHSTYFN-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC[C@@H](N[C@H](C)CCC1CC1)c1cccc(C)c1	398019575	CAABESLIEQWBPM-RHSMWYFYSA-N	245.410	4.614	0	10	BJAE	
CCC[C@]1(C[C@H](C)C2CCC2)CCCCCN1	398617102	CQUJXDPMHKYPNK-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC1(CC(=O)c2csc(C)c2C)CCC1	399924461	LZPQBHHSDROWDV-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H]1C[C@H]2C=C[C@H]1CC2	402239048	ZPJXMALYAVRYET-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(CN)c1ccccc1	405128094	FJOIFKMSJYUSFH-DOTOQJQBSA-N	247.426	4.510	0	10	BJAE	
CCCCc1ccc(NCC2(C(C)C)CC2)cc1	687538431	IFJOWDIWONCVKG-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CCCC[C@H](CCCC1CCC1)NC(C)C	688357582	IWXBNYGLVLBTTO-OAHLLOKOSA-N	225.420	4.514	0	10	BJAE	
Cc1cccc(N[C@H](C)CC2CCCCC2)c1F	689721743	VPVAGHCUOJQXHM-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
C[C@H]1CCC[C@H](CNc2cccc(C3CC3)c2)C1	690076925	VHUYOVJYQFKECS-KBPBESRZSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCCC1(C)CCCC1	691090665	SLJUQTCCMKWHIO-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)C(C)(C)CC)CC1	695098678	MPXFTDQGLPWWJK-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1ccc(Cl)s1	696625448	POGQQECXHAJINK-VIFPVBQESA-N	245.819	4.618	0	10	BJAE	
Cc1c(Cl)cccc1O[C@H]1CCC[C@H](C)C1	702647287	CLVBLRMHXBIYIE-JQWIXIFHSA-N	238.758	4.606	0	10	BJAE	
CCC[C@@](N)(C1CCCCCC1)[C@@H]1CC1(C)C	704473469	KGXHPALZMPCIFX-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C1CCCCCC1	704960720	YYGILFGPDPFKEZ-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
C=C/C=C/CC[C@]1(CNCC)CCC[C@H](CC)C1	713700586	LTCMPRPUKYDCND-FNQZAJIHSA-N	249.442	4.705	0	10	BJAE	
C=C/C=C/CC[C@H](CCC1CCCCC1)NCC	713766167	XIUPRISBXLOPBT-FUTAKVPZSA-N	249.442	4.847	0	10	BJAE	
C=C/C=C\CCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714390564	NYDPZEVDBOEYCW-LTXMXCJLSA-N	246.394	4.684	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC[C@]12CCC[C@H]1C2	720991138	GLMXWIVGIDERQF-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CNC2(CCCCC2)[C@@H]1C1CCCCCC1	721028706	LZLLOUWYBYUNFT-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)CC/C=C\c1ccccc1	721729773	CJTXCFLRLNVXMY-LCYFTJDESA-N	244.378	4.875	0	10	BJAE	
Cc1cccc(CS[C@H](C)CC(C)C)c1	1559412846	GIWOHXYTLSCNFA-CYBMUJFWSA-N	222.397	4.663	0	10	BJAE	
FC(F)CCc1cc(Cl)c(C(F)F)s1	1892880607	HVFFHHUXOZANOW-UHFFFAOYSA-N	246.656	4.537	0	10	BJAE	
CCC(CC)C(=O)CC[C@H]1CCC(C)(C)C1	1903429053	PQFSNNGCTRGRGX-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1ccc(Cl)cc1	1905385787	CMGVJFAEVOACMK-BXUZGUMPSA-N	240.774	4.590	0	10	BJAE	
CCC[C@@H](CC)C[C@](O)(CCC)C1CCC1	1905398382	NCIPSOGELZPOER-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](C)CCNC1CC2(CCCCC2)C1	1912701808	RTYOVBJFGSUIJK-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1CC(C[C@@H]2CCCCCCCCC2=O)C1	1913384782	RQIZSIFEPQXITP-NRXISQOPSA-N	236.399	4.742	0	10	BJAE	
O=C1CCCCCCCC[C@H]1CCCCCF	1913387429	YERQYDGWDABEFW-AWEZNQCLSA-N	242.378	4.836	0	10	BJAE	
CCCCC[C@@H]1CCCCCCCC[C@@H]1NC	1913391811	KRPXJWYUXRYZAC-CVEARBPZSA-N	239.447	4.905	0	10	BJAE	
CCC(CC)CN[C@H]1CCC2(CCCCC2)C1	1915856108	XARLXDZAVTWBGL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1N[C@@H]1CCC2(CCCC2)C1	1916406800	UWRZOFCPYJFNQY-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
C=CC=CCC[C@](C)(O)c1ccc(C(C)C)cc1	1920037638	DVPNJBTYHUJSHV-KRWDZBQOSA-N	244.378	4.540	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C1CC(C(C)C)C1	1921293322	YOTLAOOOVPEULX-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@](C)(CO)C1CCCC1	1923896032	WSLZSCBAGUUSHA-XJKSGUPXSA-N	240.431	4.638	0	10	BJAE	
C[C@@H](C(=O)CCCC1CCC1)C1CCCCC1	1924139164	OEQRHYZWRRKWBP-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@@H](C)Oc1cccc(Cl)c1	1928731190	QQPMCHPJWNECGH-LLVKDONJSA-N	226.747	4.544	0	10	BJAE	
CCc1ccsc1C(=O)[C@H](C)CCC(C)C	1937169900	SNYDXPREXBCAFE-LLVKDONJSA-N	238.396	4.566	0	10	BJAE	
CC[C@@](O)(CC1(C)CCCCC1)C1CCCC1	1940404641	ADUJMUADINGSIZ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@](CC)(CO)CC1(C)CCCCC1	1940406528	MDMIPFREXUXKDN-INIZCTEOSA-N	240.431	4.926	0	10	BJAE	
CCCNC[C@](C)(CC)CC1(C)CCCCC1	1940408806	VORMOWWJEJCAGV-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(O)CCCC1(C)CC1	1940870529	UNHDZTQQDYYXRO-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCCC2(C)CC2)C1	1940883548	UXHRKFDWLHPZRX-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CCC[C@H]1CC1(C)C)c1cccc(N)c1	1940971158	OWRFNGFIXVBGGI-OCCSQVGLSA-N	231.383	4.589	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CCCCCC1CC1	1941581066	GUFBXBJLKBVCNT-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
C1=C(Cc2ccc(C3CCCC3)cc2)CCC1	1944128675	JQGKCUSCJZUZPV-UHFFFAOYSA-N	226.363	4.997	0	10	BJAE	
CCCCCC[C@H](O)[C@@]12CCCC[C@@H]1CCC2	1944150450	ZVJURUOSFFQXLC-OWCLPIDISA-N	238.415	4.678	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CC2CCC=CCC2)C1	1945581659	HHZFKTZRRLBLDZ-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CC(=CC(C)(C)C1CCCCC1)CNC(C)C	1946187326	DVAPTIZWJCCHQO-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)[C@@H]1CCC[C@@H](CC)C1	1947469128	PVVLDGUTHXNOES-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CC([C@@H](N)C[C@@H](C)CC(C)(C)C)C1	1948409779	UQGRFTAZHRFEQW-RXFTYZNJSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CN(Cc1ccccc1)C(C)(C)C	1953230317	BQCIRXAVESFGHV-UHFFFAOYSA-N	247.426	4.723	0	10	BJAE	
CC(C)CC[C@H](C)N1C[C@@H](C)[C@H]1c1ccccc1	1962913070	LXOBDOQLQMXYTE-VYDXJSESSA-N	245.410	4.504	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@H]2CCCCC23CCC3)C1	1967790581	CRWSQTOWPVSYFZ-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)Nc1cc(C(C)C)ccc1C	1968598463	YKYGUZLIGSNROS-CYBMUJFWSA-N	219.372	4.719	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)c1ccc(C)cc1C	1973174128	XOSLBCCEGSJORY-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
Cc1cc(N[C@H](C)C2CCC(C)CC2)cs1	1975978191	CFYVKPOYTOPYBC-YXMLORGKSA-N	237.412	4.683	0	10	BJAE	
CC(C)c1cnc([C@H]2CCC[C@@H](C)CC2)s1	1976351228	WAJFAXLQGXENAG-NEPJUHHUSA-N	237.412	4.950	0	10	BJAE	
CC=CCCC[C@@H](NC)C(CC)(CC)CC	1984635403	OYYABZKAZAZYMO-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)C(C)=C(C)C	1989664995	MAZLZVACZDFHOK-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C(C)=C(C)C	1989666548	RKTIPMQBILRWHC-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCC(=O)CCC[C@@H]1CCCC(C)(C)C1	1994026505	QLIZLCGBOZRSID-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@](N)(CC)C[C@@H]1CCCC(C)(C)C1	1994031022	QNRXVNFOHMRLKE-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1csc(C)c1	1995253286	FSJWXUGCLHLJIL-FZMZJTMJSA-N	240.412	4.696	0	10	BJAE	
CC1CCC(CC(=O)[C@@]2(C)CC=CCC2)CC1	1997607241	SKHMRAVGUCRTQP-XUJLQICISA-N	234.383	4.518	0	10	BJAE	
CCC[C@](C)(CN)C1CCC(C(C)(C)C)CC1	2000483345	LTWJNRSUKXOOTM-ZBCRRDGASA-N	239.447	4.604	0	10	BJAE	
CCC(CC)(CCCCCF)CNCC(C)C	2000510330	OKORCJMYLQHQPN-UHFFFAOYSA-N	245.426	4.568	0	10	BJAE	
CC(C)C[C@@H](C)NC1CC2(CCCCCC2)C1	2000673148	RDIYCRQLXXAIIW-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CN[C@@H]1CCCCCC[C@@H]1CCCC(C)(C)C	2003102740	YVWIIEMSTHIMPB-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](O)CC2(C)CCCC2)C1	2003175015	ISNLROQQIJKXDJ-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C(=O)C[C@@H]1CCCC2(CC2)C1)C(C)C	2003276597	ZYQJWWBHTDYFBA-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1(C)CCC(C)CC1	2007683977	XGUJBYJUEFBWRO-NPCAHTBFSA-N	238.415	4.844	0	10	BJAE	
CC1CCC(C)([C@H](O)C[C@H](C)C(C)(C)C)CC1	2007699720	ZBTVCBKPCWVHEN-IOSBVQAASA-N	240.431	4.636	0	10	BJAE	
CC=CCCCC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	2009568333	BTUDWPVCVMOPAT-CJNGLKHVSA-N	236.399	4.764	0	10	BJAE	
CC=CCCCNc1ccc2ccccc2c1	2009594867	WJFQEBDYXOGZKN-UHFFFAOYSA-N	225.335	4.608	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1(CC)CCC1	2009628896	PAFBJRIJCLUQGG-SZTZYQKNSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCCC[C@@H]2C)C1	2009716359	SAJJYVMSAKGOFN-LBDPXKHJSA-N	237.431	4.514	0	10	BJAE	
C(=Cc1ccccc1)CC1CC(=C2CCC2)C1	2011047405	DYAXQSIIQDSZPW-UHFFFAOYSA-N	224.347	4.980	0	10	BJAE	
CCCNC[C@](C)(CCC)CCC[C@H]1C[C@H]1C	2011584758	VRZURJRPGAAJRI-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC[C@H](CCC(C)C)NCC1CCC(C)CC1	2013263748	JFGQYIKZTQYJMR-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@@H](O)CC(C(C)C)C(C)C)CCCC1	2015274388	JTEBHXJNOBFQHB-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)CCC(C(C)C)C(C)C	2015360584	JRABYWUQEPVIQP-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@@H](C)[C@@H](C)CC(C(C)C)C(C)C	2015407555	BTOHNLJJHCTDJC-LSDHHAIUSA-N	241.463	4.577	0	10	BJAE	
CCc1ccc(NC[C@H](CC)C(C)C)cc1C	2016106495	NVUKSYNUPJGSRD-HNNXBMFYSA-N	233.399	4.652	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C[C@H]1C[C@@H]1CC)NC	2016852672	SHXZJJBGBMQSJB-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)CC1(C(C)(C)C)CCC1	2017115062	SWAXJFLSRYJZDX-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)C(C)=C(C)C	2017476901	CABZZOODRNYBFE-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)C[C@H]1CC[C@H](C)CC1	2017652540	ILPRUWQLQHPQTC-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC[C@H](CC)C1	2018139501	SGTMDJFQJSUDGV-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CC[C@](O)(C[C@@H](C)C1CCC1)C1CCCCC1	2019782316	WKTAVVSUNFOVBH-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)CCCCC(C)(F)F)C(C)(C)C	2023344584	UMVVOBWYDNPSQO-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@H]1CCCC(C)(C)C1	2024124659	QOVWPBYAGWSMHS-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C1CCC(C)CC1	2026083016	WXIRWXMMNOQSGI-WLYUNCDWSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC[C@H]1CC1(C)C	2026147188	UNHFTSOPTJUOBF-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC[C@H]1CC1(C)C	2026166927	NHIXYSAKJBMPDO-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
Cc1ccoc1-c1nc(C2CCCCC2)cs1	2026596660	HXSHWZMEQVUYCF-UHFFFAOYSA-N	247.363	4.759	0	10	BJAE	
CCC[C@](N)(C1=CCCCCC1)c1ccccc1	2026896048	BJERZMNQOFCHSP-KRWDZBQOSA-N	243.394	4.531	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H]1CCCC[C@H]1C1CC1	2027023435	GJNTWHGBUBTJQQ-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)[C@@H]2CC23CCC3)CC1	2032136426	UKLGQHNRPLYVNJ-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](NC2(C3CCCCC3)CCC2)C1	2033056523	FWWXWVALFLKFQR-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCc1ccc2[nH]c3c(c2c1)CCCCC3(F)F	2035248108	OCNHKCBLOCMTPG-UHFFFAOYSA-N	249.304	4.549	0	10	BJAE	
CCCNCC1(C2CCCCCC2)CC2(CC2)C1	2036192947	ZBHSXFHAWNLIFZ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC(CC)C[C@@H](N)[C@H](c1ccccc1)C(C)C	2037096396	CRIYIUFNIZDFET-SJORKVTESA-N	247.426	4.580	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CC2(C)CCCCC2)C1	2037198564	HFJRKHPNVRGKGX-CWRNSKLLSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc(C(C)(C)C(C)(C)C)[nH]c21	2038006121	AXLBJLLPEHJYET-PHIMTYICSA-N	248.414	4.734	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc([C@H]3CCCC[C@H]3C)[nH]c21	2038010170	QGIVPUGPMIQPEY-NDBYEHHHSA-N	246.398	4.704	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1CC12CCCC2	2039091112	HEXCHJIMNMLSCX-CQSZACIVSA-N	243.394	4.802	0	10	BJAE	
CCC1([C@H](O)c2c(C)c(C)cc(C)c2C)CCC1	2039727646	YAZGLTZKPSLSRV-MRXNPFEDSA-N	246.394	4.534	0	10	BJAE	
CCc1ccc(NC2[C@H]3CCC[C@H]2CC3)cc1C	2042046759	DSIXQTOEACAHQY-GJZGRUSLSA-N	243.394	4.548	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC=CCCC1)C1(C)CCC1	2045325831	IRFSHZLLWXQEMY-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CC2CC3(CCC3)C2)C1	2045507719	RJSVBEYICQGHJP-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCC[C@H]2CC2(C)C)C1	2045561061	CTDFYFGKHSAXKP-QEJZJMRPSA-N	248.410	4.764	0	10	BJAE	
CCC(CC)CC(=O)[C@H](c1ccccc1)C(C)C	2045674235	VHOYUQQBAQHXNA-KRWDZBQOSA-N	246.394	4.822	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@H]1CCC12CCC2	2047930668	AVZQZGNZEOKSEM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1O[C@@H]1[C@H]2CCCCC[C@H]21	2049200639	KOEJIVVZQNXWRV-QLPKVWCKSA-N	244.378	4.768	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H]2CCC23CCC3)CC1	2049414198	FKURFIOZGFWGLP-SLTXQBBLSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC([C@H](C)NCCC2CC=CC2)CC1	2049419711	DSZPWGRCXRNYQL-UQPPLGOBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C=C(CN)C2CCCCC2)C1	2049515257	PITHDBGJNDKCAW-AWEZNQCLSA-N	249.442	4.668	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CC1CCC2(CC1)CC2	2049846056	PFLALRMCGCAHKG-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1([C@@H](N)C[C@@H]2CCCC3(CC3)C2)CCC1	2049867478	VGAIXLBCUDVOKZ-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@H]1CCCC2(CC2)C1	2049955966	ZDWMFWLBMRXDJI-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](N2CCCC3(CCCC3)CC2)C1	2051605305	XNMFQHHCHUSYJD-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C1CCC([C@H]2CCCCN2C2CCCCC2)CC1	2051672575	UXTBVJIEGSPNQT-QGZVFWFLSA-N	249.442	4.754	0	10	BJAE	
CCNC[C@@]1(CC=C(C)C)CCCCC12CCC2	2053360920	RTOITQVNHWFKCZ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@H]1CCCCC12CC2	2053412681	QCGCPRFKODIGIM-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@]1(CNC(C)(C)C)CC=CCC1	2055301093	MPWSFLIMSIGQLZ-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)C2CC3(CCC3)C2)CC1	2056554208	VPRSNCWGFNCMTB-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C(=O)CC1CC(C2CC2)C1)C1CCCCC1	2056668334	SFBXWDSVSCWDGL-VEAWUBTESA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@H]1C=CCCC1	2056880742	BJZSWQFUZAMSKO-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCCC3(CC3)C2)CC1	2058993072	YLCLHCVCPFTEGW-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CC1(CC[C@H](N)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1	2059180556	LKQBWAMOLZNHHQ-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H]1NCCC12CC1(CCC(C)CC1)C2	2059469816	LVYIBSRINJMXIW-ZKDDFBJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2=CC[C@H](C)CC2)CC1	2060921748	NILQFQGJISUIAO-IVSAIRAKSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)C1=CC[C@H](C(C)(C)C)CC1	2061112138	CJUDJFACCCAJPT-KEYYUXOJSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@]2(N)CCCC2(C)C)CC1	2061112806	JGAHELCSSGCDTM-SUMWQHHRSA-N	249.442	4.667	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C[C@]12CCC[C@H]1C2	2061606356	LAWKQDITBBBRBS-HLLBOEOZSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC2CC(=C3CCC3)C2)C1	2061740358	XZZHBTJNBKLLTQ-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC[C@](N)(CCC1CCCCC1)c1occc1C	2063681097	OKYVUBJTKSKZNV-INIZCTEOSA-N	249.398	4.513	0	10	BJAE	
C[C@H](C(=O)CC12CCC(CC1)C2)C1CCCCC1	2065275560	UPPFNXNNDQRHLX-CBCUQQMYSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](C[C@H]2CC23CCCCC3)N1	2066376489	UWHHUIYFDOMLMM-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](N[C@H]2CCC23CCCCC3)C1	2066628432	YCDYSHKNQSMCOM-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C[C@H](Nc1ccc(C2CC2)cc1)[C@H]1CCC1(C)C	2068288082	QDXIGOYVFLOTBQ-BLLLJJGKSA-N	243.394	4.801	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)[C@H]2CCC2(C)C)c(C)c1	2068288831	SPAJVGYCYOXSSG-LSDHHAIUSA-N	245.410	4.848	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](N)c1ccc(C(C)(C)C)cc1	2068822889	MVKQEKRWIZTHQR-XJKSGUPXSA-N	247.426	4.666	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)C[C@H]2CC23CCC3)CC1	2069205928	YEJNDOWALYBRMG-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CCC(=O)c2cccc(F)c2)CCC1	2069281263	VDNKFXDOAJHYMM-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CCC1(CN2CC[C@@]23CCCC(C)(C)C3)CCC1	2069328080	MXJRBCZXKMJTIX-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2070951026	LTOCCZJBCCMBAF-RUCLQGLUSA-N	248.410	4.598	0	10	BJAE	
COCc1ccc(CC[C@H]2C=CCCCC2)cc1	2071398418	UBPGISZECHSYAW-HNNXBMFYSA-N	244.378	4.512	0	10	BJAE	
CCCCCCC(=O)C1CC(c2ccccc2)C1	2071407014	LNXHQCGBQXEHGZ-UHFFFAOYSA-N	244.378	4.720	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C[C@@H]1C[C@H]1CC	2071510745	KLZJVORAAUSOSG-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](NCC)c2ccco2)CC1	2072699756	BIVHHZGPCUXTOV-DZKIICNBSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)c2ccc(C)cc2)CC1	2072703120	VSFKZKOVOGIWAF-KOMQPUFPSA-N	244.378	4.784	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@@H]2CC23CCCC3)CC1	2072794178	RCBYKCHWFBPQEC-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@H]2CCC3(CCC3)NC2)CC1	2072819463	DEIUPFDZQHHCAN-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H]1CCNC2(CCCCC2)C1	2074139638	UBEMMFYZBITMJM-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C1=C(CCN2CC[C@H]2C2CCCCC2)CCCC1	2075147563	WKPMJXQJOKSSSQ-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
C=C=CCC[C@@]1(N)CCCC[C@H]1C1CCCCC1	2075828620	FBPKPFIKPUUFSV-DLBZAZTESA-N	247.426	4.576	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1c(C)c(C)cc(C)c1C	2079471891	BWROPDSHGMPXLW-HUUCEWRRSA-N	244.378	4.539	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1N[C@H]1CCC2(CCCCC2)C1	2079531192	QPOGBXWHXJRKSJ-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CCC)c1ccco1	2079667195	VWGJUPGMHGMJKN-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
C[C@]1(CC[C@@H]2C[C@@H]2C2CCCCCC2)CCCN1	2079692825	FQEQORYHRCXMOO-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCCCC12CC2	2079840959	FYSHSYHWYIPJBC-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)C1(C2CC2)CCCC1	2079845254	XRSIRDORQYIUEU-OCCSQVGLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2Cc3ccccc3N2)C1	2082978260	FVQSHGKITIHJKK-HIFRSBDPSA-N	243.394	4.630	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2CNC23CCCCC3)C1	2082978518	HQEZFEUHZFWUAZ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1C[C@@H]1C[C@H]1C1CCCCC1	2083799120	IZLYNSYZXZXLJA-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
C1=C(C/C=C/c2ccccc2)CCCCC1	2210662611	RHKHQWBUEAQTOS-RIYZIHGNSA-N	212.336	4.980	0	10	BJAE	
CC[C@@H](CCCCCCCC1CC1)[C@@H](C)N	2212462455	NARLINPWFFCFJM-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@H](CC1(C)CC2(CCC2)C1)NC	2215392197	CKQQSCOCNXRJQM-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)[C@H](O)CCCCCCCC1CC1	2216860479	AXWMBKKKQQVPOM-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CCC[C@H]1NCCCCCCCC1CC1	2216870626	KHCDATCJRNLZRA-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@]1(CNC2CCC2)CCCC1(C)C	2217132672	ZYFMLPCCZKTYEY-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NCC1(CC2(C)CCCC2)CCC1	2217138264	PVGDBOHZEQCCBH-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@]1(CN[C@@H](C)CC)CCCCC1(C)C	2217140974	KYZOSOXIFLICDX-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN(CCC(C)=C(C)C)C1	2218143198	FMPKMJYVEQWTHT-KRWDZBQOSA-N	249.442	4.801	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCCC1	2218329136	AOLOXANOGANTRR-AIANPOQGSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218331768	FOJLYQLRGHHMBO-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)CCCCC12CC2	2218721511	SAJQMDMHHFUDRT-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@@]12CCCC[C@H]1CCC2	2220045618	KVEWOJNRIHDKFV-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CC)[C@@H]1CC=CCC1	2220873293	ACTFXPNALMFOOJ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)CC1(C)CC(C)(C)C1	2221001373	HTTDFQBKICZFCI-AWEZNQCLSA-N	246.394	4.553	0	10	BJAE	
CCCNCC1(CC2(C)CC(C)(C)C2)CC=CC1	2221027759	JPRZNDGSSZFZTM-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C[C@H](C[C@H]1CCCCN1)CC1(C)CC2(CCC2)C1	2221039005	HMLFNRRMGHWCQZ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@]1(C)CC=C(C)CC1	2221613903	SQQYPKZAVKGKBT-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CC1=CC[C@H](CN[C@H](C)C2CCC(C)CC2)CC1	2221620077	WIUHDWCXOOSEGF-GMRIPVOYSA-N	249.442	4.537	0	10	BJAE	
CN(CC1=CCCC1)[C@@H]1CCC[C@@H](C(C)(C)C)C1	2222267367	PLGGGIXPQZGIHE-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1C[C@]2([C@@H](N)CCCCCCCC3CC3)C[C@@H]12	2223110727	QHMCQNGRVSNNAH-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(O)CCCCC[C@H]1C	2247127075	FTBVPBBTDJZUPH-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCCC23CC3)c(C)s1	2247650338	JEQQRKCLWOIUBJ-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
Cc1sc(C)c(C(=O)[C@@]2(C)C=CCCC2)c1C	2248282130	BBXXDWWJVSGDCA-HNNXBMFYSA-N	248.391	4.602	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC(C)(C(C)C)C(C)C	2248388589	TZUQZZGCFIPDPL-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC)CCCCCC[C@@H]1C[C@H]1C	2248805619	BOEPPJGPGWBROD-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](C)(N)CC1CCC1	2248879545	NIXCBEKEZJLULO-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CNc1cccc(C(C)(C)C)c1	2249310852	FJOTYOSJMRPKOP-ZDUSSCGKSA-N	233.399	4.832	0	10	BJAE	
CCC[C@@H](CC)CNC[C@@]1(C)CC=C(C)CC1	2250383726	KSNRIUHGTZTTGL-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCNc2ccc(F)cc21	2251635201	FGNDEDUCHCNPPG-NSHDSACASA-N	235.346	4.551	0	10	BJAE	
Cc1cccc(-c2nc(C3CC(C)C3)cs2)c1	2252740606	QQBKFONBRQAOJP-UHFFFAOYSA-N	243.375	4.632	0	10	BJAE	
CC1CC(C[C@H](N)CC[C@H]2CCCCC23CC3)C1	2253782134	HVHBWMQXONFMNQ-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)CC[C@H]1CCCCC12CC2	2253808521	PHXWTMZUEGMDPU-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](C)[C@H](O)c1ccccc1	2254590718	DLVQAQYDRVYHGD-JHNDHUHGSA-N	246.394	4.573	0	10	BJAE	
CC1CCC2(CC1)CC(N)(C[C@H]1CCC1(C)C)C2	2255019948	WKNPOISAZHYWLB-FBZFNHGYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H]1C[C@@H]1CC(C)C	2255136955	PMJJOKQCDUFEIP-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C(=O)CC[C@H]2CCCC23CC3)CCC1	2255311665	BGIUDTDYJOVENF-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)CC[C@@H]1CCCC12CC2	2255315434	NFNCRBUCTSSERT-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@H]2[C@H]3CCC[C@@H]2C[C@@H](N)C3)CCCCC1	2258032109	HHTXZSRQKPKZHY-GEEKYZPCSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)c1cc(C)ccc1C	2259451009	BKTWNKHWEWGAMP-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)[C@H]2CC23CCC3)C1	2261263815	KIMLHSUKGYONRD-JXQTWKCFSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CCC1(O)C[C@@H]2CCCC[C@H]2C1	2300688103	KFOQFHMIRNHSGA-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(=CCC(=O)C1[C@@H](C)[C@@H]1C)CCCC(C)C	2300878083	XOOVFYLJWGLDBS-KBPBESRZSA-N	236.399	4.620	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@H](C)[C@@H](C)C(C)C	2301825018	IEUTVERFCYEWIB-JONQDZQNSA-N	241.463	4.848	0	10	BJAE	
CCC[C@@]1(CCCC2=CCCCC2)CCCN1	2302324690	ZYPAYDIZLLPIGI-MRXNPFEDSA-N	235.415	4.579	0	10	BJAE	
Cc1ccc(F)cc1CCCC1=CCCCC1	2302346586	IMAZZHLDWFVFNT-UHFFFAOYSA-N	232.342	4.957	0	10	BJAE	
CC(C)CCCCCC(=O)CCC[C@H]1C[C@H]1C	2302608764	BDWGCEQSQBHFMV-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CC[C@@H]1C(C)(C)C	2303449911	NLUFHCYSJREZFG-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@](CO)(C[C@H](C)CC(C)C)CC1	2303471309	ZQSDCJFYWXNMTM-CZUORRHYSA-N	238.415	4.558	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@@H]1CCC(C)=C(C)C1	2303579631	PAZYMZCGJPELSB-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](CC)C(=O)C12CC(CC(C)C)(C1)C2	2304383745	HYFKJUULKVCHKA-IUDNXUCKSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@@H]2CCCC(C)(C)C2)n1	2307685354	YXSZOQTWKWUJAR-UTUOFQBUSA-N	249.423	4.950	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCCC[C@@H]1CC	2307832670	VLWXHJMRHCDWCB-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H]1CCCCC1(C)C	2307904485	SYDZPFXIAAVYBR-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](N[C@@H]1CCC[C@@H]2CC[C@@H]21)C1(C)CCCCC1	2309517095	AJOQTFGSYFTLLM-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
O=C(C[C@H]1CC=CCC1)[C@@H]1C[C@H]1C1CCCCC1	2311525505	UGOWFDDUKBUOCB-CWRNSKLLSA-N	246.394	4.518	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@](N)(CC1=CCCCC1)C2	2312826049	LVIIXPQYDIDCNX-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312869930	FYEIATGONDVVPG-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)C[C@H]2CCCC[C@H]21	2318573676	VDLXOWYJHKFLDS-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)C1[C@H](C)[C@H]1C	2318587574	URAXSUYQNQAMDX-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC2(N)C[C@H]3CCCC[C@@H]3C2)C1	2319030063	MBUCQKAFJSTZRT-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2C[C@@H](N)CC3(CCC3)C2)C1	2319125906	IVPCFPADEWBAJL-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC(C)=C(C)C2)C1	2320337365	MJHSIECNHMRZTM-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
CC1=CC[C@](C)(NC[C@H]2CCC(C)=C(C)C2)CC1	2320406293	MEQRCVQPWZXLOS-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC1(C)CCC(=O)[C@@H]([C@@H](CC2CC2)C2CC2)CC1	2320697569	QCMZRQLRMRUKEU-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1cc(C)ccc1C(C)C	2327681105	IXAFBDDZLQTVBG-UONOGXRCSA-N	244.378	4.737	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CNC2CC2)CC12CCC2	2328200971	CUSQAFXBHSIHRR-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(SC)cc1	20007811	AGEUZGDQXXHYKW-LBPRGKRZSA-N	237.412	4.789	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1ccc(Cl)s1	20482665	MPVMMVHZSZVTMR-BXKDBHETSA-N	245.819	4.618	0	10	BJAE	
CC(C)c1ccc([C@@H]2C[C@H]2c2ccco2)cc1	32222421	DFAGZULMEQUZCH-LSDHHAIUSA-N	226.319	4.674	0	10	BJAE	
C1CCC(CN[C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	34994774	GZBYAYYNVYJPTD-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
c1csc([C@@H](NC2CCCC2)C2CCCC2)c1	37414122	UKGFMMSIFURHJV-HNNXBMFYSA-N	249.423	4.512	0	10	BJAE	
CCCCCC[C@H]1CCC[C@@H](NCCC)C1	70745324	ASXLIXJADBJGTH-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
C[C@H]1CC[C@H](Nc2ccc3sccc3c2)C1	70761060	IPNYZHXGVZYUAG-JQWIXIFHSA-N	231.364	4.502	0	10	BJAE	
CCCC[C@H](CC)CC1(O)CCCCCC1	71084809	RZZFPVYKPMMMIT-AWEZNQCLSA-N	226.404	4.678	0	10	BJAE	
CC(=O)c1cc(-c2ccc(C)c(C)c2)sc1C	77093779	VIGRDIBBBUVMHO-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CCCCOc1ccc(NCCC(C)(C)C)cc1	83381684	LMJPIQMOUIYWCQ-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CC[C@H](C)C[C@H](C)n1c(C(C)C)c[nH]c1=S	83865578	MVVHRBASNYWEBG-QWRGUYRKSA-N	240.416	4.666	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccncc1Cl	86833112	LNTMBJPLECTDEF-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(C2CCCCC2)CC1	86940177	NUFFDGUDQHRFBN-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)C(CC)CC	94678131	HFICFKQAQULOKV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C/C=C\C[C@@H](CC)c1ccc(C)c(C)c1	107529602	GJJCQFAGOVGTFQ-BRLPQQTGSA-N	202.341	4.763	0	10	BJAE	
Cc1ccc([C@@H](C)CC[C@H](C)N)cc1C(C)(C)C	107636412	UKLQHLBFAOASAN-JSGCOSHPSA-N	247.426	4.523	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H]1CC[C@@H](C)c2ccccc21	136957677	CESNRDXOQKNMMB-JKIFEVAISA-N	245.410	4.649	0	10	BJAE	
N[C@H](C[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCCCCCC1	159003790	LLFPQGGXRLORPU-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CCC[C@H](C)C2)c(C)c1	166266698	DGSZBLSKGRKHFT-NHYWBVRUSA-N	244.378	4.621	0	10	BJAE	
CCCCc1ccc([C@@H](C[C@H](C)CC)NC)cc1	167243023	IMVNRRFFTAKCRM-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
C[Si](C)(C)C(=Cc1ccccc1)[Si](C)(C)C	195755361	ULXDRKKYNAWJLU-UHFFFAOYSA-N	248.518	4.825	0	10	BJAE	
CCC[C@H](NC)[C@H]1CCC[C@H](C(C)(C)C)CC1	212589259	MCNXAKQWSAYFOA-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@H]1N[C@H](C)c1ccccc1	214630791	RJJQPZHIBPSGBC-OIISXLGYSA-N	245.410	4.552	0	10	BJAE	
CCCN[C@H](C(C)C)[C@H]1CCC[C@@H](CC)CC1	220850364	NWVASWGLPKCJKW-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)Nc1nc(C)c(C)s1	226091507	ZOQGZYHOJABEGC-GFCCVEGCSA-N	240.416	4.531	0	10	BJAE	
CC(C)CCC[C@]1(N)CCC[C@H](CC(C)C)C1	230789647	JWAUWFDNAAPIMT-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)C1=CCCCCCC1	233911743	RYLCXIKDIUOJOJ-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@H](C)C(C)(C)C)c2c1	235231301	GVQOSLHOLGYCOU-LBPRGKRZSA-N	229.367	4.934	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(C2=CCCCCCC2)CC1	235298708	WVARHDFJGAMXFB-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H](C)C(C)(C)C)CC1	251813782	OUFNTIKWRADCFQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCCCc1ccc(CCCCCO)cc1	260684687	YQBCBVXLPGMCPF-UHFFFAOYSA-N	248.410	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCCC(C)C)NCC	300952078	PCZCOOGWBLMRGD-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1C	302266928	GNJLDRKRYWGQFA-RVSPLBMKSA-N	245.410	4.794	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)c1ccc(CC)cc1	302388285	NNGUKBAGKKUBCV-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](C)C(=O)c1ccccc1	304152279	CYPOAIOHZTWXRD-UONOGXRCSA-N	232.367	4.578	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1	305670137	KBWJMKCIKPGCAZ-IJEWVQPXSA-N	241.378	4.947	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CCCc1ccccc1	308049988	AGDWEFRXFIHSGO-INIZCTEOSA-N	246.394	4.651	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)c1cc2ccccc2o1	308071010	RNGXZJZLCVDESF-BLLLJJGKSA-N	245.366	4.505	0	10	BJAE	
CSCc1ccc(-c2ccc(C)cc2)cc1	309561412	OUQVGLBFDXJURG-UHFFFAOYSA-N	228.360	4.525	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1(CC)CCC1)NC	310120539	HZHCQEWVFGIZEQ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H](n2ccc3c(F)cccc32)C1	310560015	JBRSAFQDTHGNGF-STQMWFEESA-N	245.341	4.922	0	10	BJAE	
Cc1ccc2c(ccn2C[C@@H]2CCC[C@@H](C)C2)c1	310786811	SZAVYPLRYKTQDC-UKRRQHHQSA-N	241.378	4.776	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1C	315238475	XRHQBEOGOXASKU-QBYUYEEZSA-N	243.394	4.540	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](CC)C1CCC1	322518822	IQZKWSGXMSWTQF-CABCVRRESA-N	225.420	4.514	0	10	BJAE	
Cc1ccsc1[C@H](O)CCCCCC(C)C	383133011	KYJALZACPCUGGV-CYBMUJFWSA-N	240.412	4.696	0	10	BJAE	
CCC1CCC(NCCCCCC(C)C)CC1	383207737	BJVHDJGLWUIPQH-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
C/C(=C\CCNC(C)C)CCCCCC(C)C	383348508	DAVTWMWUJPMHAR-FOWTUZBSSA-N	239.447	4.927	0	10	BJAE	
CCCC(O)(CCC)CC1CCC(C)(C)CC1	383433286	CGMPURMAKYKYMX-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CCCCCC(C)C	383580365	VWEWXGSRVFKTFB-MRXNPFEDSA-N	248.410	4.943	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)c1cccc2ccsc12	384527364	CBPAJVGQQBDHLB-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CC1(C)CCC[C@@H]1Nc1cccc(C(F)F)c1	386191690	QCDODHQDPZIFDQ-LBPRGKRZSA-N	239.309	4.615	0	10	BJAE	
C[C@@H](C[C@@H](O)CCC1=CCCCC1)C(C)(C)C	386331975	VROIPBSVLARDFE-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@@H](C)NCCC(C)(C)C1CC1	393957745	JDLZNHRTWLDLHS-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NCC1(C)CCCCCC1	394577877	AIPOJNXZEQYNRT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)CNc1cc(C)ccc1OC	395147621	CGPPVIYOCVXBTL-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
Cc1cc(C(=O)CCC2CCCC2)c(C)cc1F	395329986	RWNNIXQXAOMHDA-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)[C@@H]1C[C@H]1CC(C)C	395631858	PYKQNJLKWISUDX-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCc1ccc2scc(C(F)F)c2c1CC	396219975	INPKLIYFNBFFFO-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1cc2c(S)c(C(F)F)ccc2s1	396239031	JXGOKRMHKXFXAX-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)[C@@H]1CC1(C)C	397809238	HUXSJMFICOTAIX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](Nc1cc(C)ccc1F)[C@H]1CC1(C)C	397834437	XOIBEJOAJHDUMM-TZMCWYRMSA-N	249.373	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1ccc(C)c(C)c1	401587260	NVMZGBVDIGOWKQ-HOTGVXAUSA-N	245.410	4.932	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H]1C[C@H]2C=C[C@H]1CC2	402239054	ZPJXMALYAVRYET-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(=O)c1coc2ccccc12)C(C)(C)C	404355134	ZADONJXNJNXEKN-NSHDSACASA-N	244.334	4.688	0	10	BJAE	
O=C(CC1=CCCCC1)c1coc2ccccc12	404496000	GNOFFTBIDQWHCN-UHFFFAOYSA-N	240.302	4.506	0	10	BJAE	
CCSc1ccccc1NCC1(C(C)C)CC1	687535958	XZTYVWLATJCRPY-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)CC(C)(C)C	688357585	IXIDDORYIYMLJX-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCC1(CC)CCC1	691189577	UNFDMXSZBYJJGA-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)[C@@H]1CCCC1(C)C	696558693	DUPHCKDQSJGLDK-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@H]1NC1CC2(CCC2)C1	697674579	WUIQDAKRLPWMPS-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1ccccc1C(C)(C)C	697770394	FKZTYRMMGLZMBT-MRXNPFEDSA-N	245.410	4.730	0	10	BJAE	
CC(C)=CCCC[C@@H]1CCC(F)(F)C1	698070968	ABMBFTVYUIHUFK-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@H]1CCCC[C@@H]1C	704861406	JRYNYJAATKGING-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@H]1CCCC[C@H]1C	704933013	SYGXPQTVORSVKF-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@@H](C[C@H](C)CC(C)(C)C)NC	709092599	YFZLVRUANVEOMZ-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CC(C)(C)C)C(C)C	709102159	FCAJXDHNKBYHSC-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CC[C@H](C)CC(C)(C)C)CC(C)C	709110332	YNOABPQERFPPCQ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CCC1=CCCCC1	709118472	OZOBYZYTBJZRSD-ZDUSSCGKSA-N	236.399	4.908	0	10	BJAE	
CCC[C@H](C)C[C@@H](C[C@H](CC)C(C)(C)C)NC	711100441	ZALASPCFTFANAE-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
CC1CCC(C[C@@H]2CC[C@@H]3CCCC[C@H]3N2)CC1	712299853	OYFAHFBDIDIUNI-LMNGEROHSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC([C@H](N)CC(C)(C)CC)CC1	713174369	KYBFPFDAJGGJKG-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCC=CCCC2)CC1	718981135	XZKSTKWONOQVPG-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H](C)[C@](N)(CC)CC1CCCCC1	720360447	UBYGJFUGHMIGCI-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1C[C@H]2CC[C@H]1C2	720955213	MSLFRXXHZDXZQW-LUKYLMHMSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@H]1NCCC1CC=CC1	724179380	KVTUQQZCMFOIEE-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
Oc1cc(-c2ccc(C3CC3)cc2)ccc1Cl	1243580451	DRIWLUROKJWLRV-UHFFFAOYSA-N	244.721	4.590	0	10	BJAE	
C=C/C=C/CCS[C@@H](C)c1cccs1	1458956009	DBSJOUCUISLQMQ-ZWNMCFTASA-N	224.394	4.675	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2CCC=CCCC2)C1	1651660949	JUKZUQZBYMPKST-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)N(CC(C)=C(C)C)Cc1ccccc1	1880369448	PVFJHFZRACWWLZ-INIZCTEOSA-N	245.410	4.643	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CCC)[C@@H](C)CCC	1910741332	WIDAULLOEXLVAJ-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H](C(=O)C2CC3(CCCC3)C2)CC[C@H]1C	1912615907	IAXAVMVVRRXTSH-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@@H]1CCC2(CCCCC2)C1)[C@H]1C[C@@H]1C	1915867756	HGHLVUWDXDCRHL-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
C1=C(CCN[C@H]2CCC3(CCCC3)C2)CCCC1	1916442814	RCBZGTQNGQUULV-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CC[C@](N)(C[C@@H](C)C(C)(C)C)c1ccc(C)cc1	1920482850	XSBGEVGIPVLVJO-PBHICJAKSA-N	247.426	4.631	0	10	BJAE	
CC1(C)C[C@@H]1CCC1(CNC2CC2)CCCCC1	1921484320	KRTKEAIQCUJNIT-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CC(CC)CC	1926375861	IJCJTVRRDMOXBC-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CCc1cc(C(=O)C(C)(C)C(C)(C)C)cs1	1936770061	HGHYEWPNKNQJLR-UHFFFAOYSA-N	238.396	4.566	0	10	BJAE	
CC(C)CC[C@H](C)Oc1cc(F)ccc1Cl	1937173915	LHWDHNQDAWABQQ-JTQLQIEISA-N	244.737	4.683	0	10	BJAE	
CCCN[C@@H](CC)CC[C@H](C)CCC(C)C	1937174090	MTUYNOOOVZKUQU-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC(C)c1csc(C2C[C@@H](C)C[C@H](C)C2)n1	1937457529	KCMJBHHAVRTLCW-QWRGUYRKSA-N	237.412	4.806	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CC2(C)CCCCC2)C1	1940397639	SCOVQCSGLPIUOL-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)[C@H](C)CCC	1940864497	PWEXICRATFXEJO-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCCC2(C)CC2)CC1	1940870225	RRMFDYGLQPVKDP-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@@H](CCC)C(C)C	1941263764	PVYYGCDYQQPWSM-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](O)CCCCCC1CC1	1941574462	BASGJCGHNPCAGE-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)(CC(=O)CC1CCCCCC1)C(F)F	1941602988	UVWCQRURFDKNHA-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H]1CC12CCC2	1944508914	BTJGAQBIRHTPIV-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CN[C@@H]1CCCC2(CCCC2)C1	1946448734	AQBMTAAWZYIOBH-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C[C@H]1CCCC[C@H]1CC)NCC	1948426863	XWWDAJODVWHHCU-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@](N)(CCC1=CCCCC1)C1CCCCC1	1949047696	VWTYFZRLBXWASL-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC(F)(F)CCC[C@@H](O)CC1CCCCC1	1949927624	YOTQAONVRGDSHY-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](O)CCCC2CC2)CC1	1950914368	PETJXYUCACHUGZ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)NC[C@H]1CCCC(C)(C)CC1	1950921734	IQFUMPQMNNOMCC-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC1(C(=O)c2ccccc2C(C)C)CCC1	1951240407	ZIUIWDCRVBIAQA-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cc(Cl)sc1C	1959934777	PQFRQVHJDRJBTN-YUMQZZPRSA-N	244.787	4.575	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CC[C@@H](C(C)C)C1	1962882994	VKCCVBGKJTYZNV-XHSDSOJGSA-N	237.431	4.536	0	10	BJAE	
CC1CCC(CN2CCCC23CCCCC3)CC1	1963112021	FPSBZTYQRQTXBU-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)C[C@@H](C)CNc1cccc(C2(C)CC2)c1	1967832595	PZZJROOZTNMRAB-CQSZACIVSA-N	245.410	4.832	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC3(CCC3)C2)c1C	1968251039	XIPWSKOIFXQSJF-OAHLLOKOSA-N	243.394	4.828	0	10	BJAE	
Cc1cc(C)cc(NC2CC(C(C)(C)C)C2)c1	1968307944	QYXLSYCUZWUXIM-UHFFFAOYSA-N	231.383	4.540	0	10	BJAE	
CCc1ccccc1N[C@H](C)CCCC(C)C	1968359915	ISFMFVHNJKKSAK-CQSZACIVSA-N	233.399	4.876	0	10	BJAE	
CC1CCC(CN(C)[C@H](C)c2ccccc2)CC1	1968435767	IIGZDQNSZDAEQM-HWOWSKLDSA-N	245.410	4.506	0	10	BJAE	
CC[C@H](N[C@H]1C[C@@H]1C1CCCC1)C1CCCCC1	1973328393	YFOIPOZMPCXZJD-IKGGRYGDSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](CCC(C)=C(C)C)NC	1976003490	NCRALYYHLDEPPA-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)C(CC)(CC)CC	1978587837	WMAWBUZMKQMGAB-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CCC1(O)CCCCCCCC1	1980352711	WCRPPRSUSREZDB-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H](C)CCCC	1984619628	WFCKYOPUOIIKRH-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](CCCCC)NCCC	1984636211	XIDFJTOMPBEUCK-NFBGWVBBSA-N	225.420	4.681	0	10	BJAE	
CCC[C@H]1CCCCN(C[C@H](C)C(C)(C)C)C1	1995748631	QOGCTEUONRGGHN-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@@]1(C)CC=CCC1	1997548946	KYYJHXSTUUQQKE-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC1(C)CCCC1	2000189463	XNIGODSJDJEVNX-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)CCCC1CC1	2000323912	ZTVTXOUJJXKBQI-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1CC12CCCCC2	2001219343	YUSQSWYNKPDRGP-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@@H]2CCCCCC[C@H]21	2001500894	FSMRLULCFAKKCI-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)[C@@H]1CCCC(C)(C)C1	2002971697	IERHBRUMDDHDSN-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)CC1(N)CCC(CC)(CC)CC1	2004341620	LKIFHBNOBSYRIZ-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CCCCC12CC2	2005599176	GTYYWGNGRCAYPR-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H]2CCC[C@@H]2C)CC1	2006728303	TXTCOKZOJJDHSK-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C=C2CCCC2)CC1	2007963901	OJWWBOAHZQSCTN-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H]1CCC(C)(C)CCC1=O	2009403699	FTIDFOFGHJBEIU-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)CC[C@@H]1C[C@H](C)CC	2009410772	LPACXVFUEJADKL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)CCC2(C)CC2)C1	2009550739	BDGCXGKMGJMODC-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CCCC[C@@H]1C(C)(C)C	2009592878	LZAFXJYBEKGZAM-QNQFUXMYSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@@H](NC)C1CCC(C)(C)CC1	2009593567	BYGDVPQUECWSTP-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCC1CC(N[C@@H]2CCCCCC2(C)C)C1	2009719353	ISLXQQHUPFQPSL-YMAMQOFZSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](CC)CC1)C(C)(C)C	2010711777	DARQYFMUGDNYEZ-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](O)[C@H](C)CC(C)(C)C)CC1	2010716447	NLNRGJWPXRLIJI-NFAWXSAZSA-N	238.415	4.556	0	10	BJAE	
CCCNC[C@@](CC)(CCC=C(C)C)C(C)C	2012413801	VFXRXFJICRVGCA-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
Cc1c([C@H](O)CC(C)(C)C)sc2ccccc12	2014292525	LUJUYJPQNHNANJ-GFCCVEGCSA-N	248.391	4.679	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)C(C)(C)C(C)C	2015271072	LZZKVQOSAKCRQD-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(=O)c1cccc2ccsc12	2016449115	MKEPVJSMNSUOAL-BONVTDFDSA-N	244.359	4.520	0	10	BJAE	
CCC(C)(C)CN(C)CC1(C(C)(C)C)CCC1	2017115035	SPJIVWVRGPCSJP-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C1(C(C)(C)C)CCC1	2017131588	RXMVRWNUDKBOLZ-CQSZACIVSA-N	237.431	4.667	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CCCCCC[C@@H]2O)CC1	2017721017	WLCDNOJUCXYBLJ-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](CC)CC1)[C@@H](C)CC	2017727705	CNCCCMUBAYYCPY-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H]1[C@H]2CCCCC[C@H]21	2018130452	OKOQWZYMNFEOCX-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](c2nc(C3(C)CC3)cs2)CC1	2018309321	FUPLXQZTVJYQCJ-NWDGAFQWSA-N	249.423	4.878	0	10	BJAE	
OC1(CCC2=CCCCC2)CCCCCCC1	2019776927	IEWGATOBBRPNOO-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCN(C1CCCC1)[C@H]1CCC[C@@H](C)C1	2020540288	WSFDATPITDRNNK-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2024101854	NSFGJUDPSMVGLD-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@](C)(N)CC1CC(C)(C)CC(C)(C)C1	2024103422	ZSABJFCHYGBIOR-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CC[C@H](C)C1	2026065420	UIVXHXKKXSTPOL-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCCc1ccccc1[C@@H](C[C@H](C)CCC)NC	2027903675	OQHCIOGTPWRGMK-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
C[C@H]1CC=CC[C@@]1(CNC(C)(C)C)C1CCCC1	2027924625	WOLVPNFZAQDCFW-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H](CC)C(C)C)cc1	2028252260	MZGDZORJVBNYLH-MRXNPFEDSA-N	246.394	4.894	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)c1ccccc1C1CCC1	2029078577	PETSAYDXIPDNHL-CYBMUJFWSA-N	242.362	4.573	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1ccccc1C1CCC1	2029079560	XYBFHUAHFKSTNJ-DCGLDWPTSA-N	246.394	4.670	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@@H]2CC23CCC3)cc1	2032132959	SLPMJDBYDOWWQK-WFASDCNBSA-N	242.362	4.573	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)c1ccc2ccccc2c1	2032268926	OUJKBCGKCNANEW-MRXNPFEDSA-N	242.362	4.555	0	10	BJAE	
Cc1coc(C)c1C(=O)CC1C[C@H](C)C[C@@H](C)C1	2035538480	QTNLUUQGOLMAPO-GHMZBOCLSA-N	248.366	4.542	0	10	BJAE	
C1=C[C@@H](C[C@@H]2CCOC3(CCCCC3)C2)CCC1	2035552975	AGODVMRVENLHCC-CVEARBPZSA-N	248.410	4.862	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1NC[C@H]1C=CCCC1	2035557894	BPVVTLSALFWTOU-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CCCCN(C[C@@H]2C=CCCCC2)C1	2036777797	BGLZRLGYGHYGPW-DLBZAZTESA-N	249.442	4.635	0	10	BJAE	
CN(C[C@H]1C=CCCCC1)[C@H]1CCCC(C)(C)C1	2036780077	MXUQKRAIXMDEGG-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
C[C@@](N)(CC1CCCC1)[C@H]1CCC2(CCCC2)C1	2037580398	KQCUZZNURIMUBA-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](C=C1CNC2(CCCCC2)C1)CC	2037760911	FQSXBKGSSPDSCE-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
CCCc1cccc(C(=O)CC2CC(C)(C)C2)c1	2037980197	VMAWYWOCAQGBKJ-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@H]1CCC2(CC2)C1	2038567171	IBQYRLMGKDRXIK-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CC[C@@H]2CCCC[C@@]23CCNC3)CC1	2038643268	AROZUSOYBICVOB-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)[C@@H]1CC12CCCCC2	2038998756	FHRXYTYFSKMVSG-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@@H]1CC12CCCCC2	2039004947	DTLUEKJPYKRPAQ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1N[C@H]1C=CCCCC1	2039033311	UYUSGINJOJHZQM-XHSDSOJGSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)c2cccc(F)c2)CC1	2039386071	RAHHHAHTGGIMMT-GFCCVEGCSA-N	248.341	4.615	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)C1=CCCCCCC1	2039439775	AEMNEZJVIQWIJZ-UAGQMJEPSA-N	247.426	4.587	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C1CC2(C1)CC(C)(C)C2	2039462401	SBBGKBFJKSQWNJ-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NC[C@]1(C)C=CCCC1)C1(C)CCCCC1	2039872336	MJDMUGDMDKYQSK-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC(CN[C@@H]2CCCC3(CCC3)C2)C1	2041287433	HOYZTZDMSFUHHX-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@@H](C)C1)C1(C)CC=CC1	2042017387	UGJBYGBBJUMUOK-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H]1CC[C@H]1CC	2043680113	OMTHXZBOXLGMKQ-CJNGLKHVSA-N	245.410	4.720	0	10	BJAE	
CC1(C)CC([C@](C)(N)C[C@H]2CCC=CCCC2)C1	2045304887	JWWAZEJBPZGPQM-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC1CCC([C@@H](N)C[C@H]2CCC=CCCC2)CC1	2045314119	HAWHYXRSEJEPGQ-XGHPGWEVSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)C[C@H]1CCC=CCCC1	2045317648	NPZLKBAYAQBBRM-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CCC2=CCCCC2)C1	2045556318	WFNLAPBARIGDLZ-XJKSGUPXSA-N	246.394	4.829	0	10	BJAE	
CCCC1([C@H](NC)c2ccc(C)c(C)c2)CCC1	2045732056	FCGKFNUDVYLYQU-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2CC23CCCCC3)C1	2047052140	KPVWTGRTIWNZLH-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@@H]1CN[C@H]1CCCCC12CCCCC2	2047586096	HDQYLVSKYOMWRN-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCCC1CC1)C[C@@H]1CCC12CCC2	2047933570	VBULCFVYRUHOFU-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2[C@H]3CCCC[C@H]32)CC1	2048470795	WOKPAFNINVCLCE-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
C(CCCCC1CC1)=C1CCC2(CCCN2)CC1	2048952783	KLQAULVXNDRFCE-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2049200720	LQJVXLLIHUMCKK-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@@H](C)[C@H]1CCCC(C)(C)C1)c1ccco1	2049528956	MVGLCMVQLITSSQ-IHRRRGAJSA-N	249.398	4.535	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H]2CCCC3(CC3)C2)C1	2049937961	LXTMZKFIHXDLFF-SLTAFYQDSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCCC1CCCCC1)c1ccc(F)cc1	2050491776	IJTRJZLXCPOWCG-MRXNPFEDSA-N	249.373	4.576	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)[C@@H]1CCCCC12CCC2	2053361057	WNCWHEGAAMYZOS-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@H]1C)[C@@]1(C)C=CCCC1	2055281306	YDBOUQOECYQTCU-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@](O)(CC2CCC3(CC2)CC3)CCC1	2055600697	MLIRFTVOMABCNM-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@H](C)C1CCC1	2056884034	ROQYAHLKHCWMFA-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C[C@H](C)C2CC2)cc1	2057364856	MXXUNWMIPPREMH-GDZNZVCISA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C1=CC[C@@H](C(C)C)CC1	2061122318	NQJKRDFDLYEUIU-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@]2(N)CCC3(CCCC3)C2)CC1	2061122916	SPUUQEJCHDCEKS-WMLDXEAASA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC=C([C@H](N)CCC2CCCCC2)CC1	2061138784	ADFAAMXQZDDSDT-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CCC1(C)CCC(N)(CC[C@@]23CCC[C@@H]2C3)CC1	2061613490	AIGBSRFDZQXHEC-KZYLPZIUSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCCCCC23CC3)C1	2062017986	QLNOJKJLNWTBKI-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CCC[C@@H]1C[C@H]1C	2062620177	MFDGSCKPTRPSQS-CPUCHLNUSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNc1ccc(C2(C)CC2)cc1	2062641489	JOUWETGHERBEHL-ZIAGYGMSSA-N	243.394	4.586	0	10	BJAE	
CC1(C)CC2(CC(C[C@@H]3CCCCC[C@H]3N)C2)C1	2063207128	CEYFBFIKBDKEJF-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C)([C@@H](N)CC23CCC(CC2)C3)CC1	2065302615	JMUOBHDEPQIVIZ-AYXGTZKJSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(NC2CCCCCCC2)cc1O	2065468618	KRWFLCQRURNJJK-UHFFFAOYSA-N	247.382	4.534	0	10	BJAE	
C[C@@H](N[C@@H]1CCC2(CCCC2)C1)C1(C)CCCC1	2067523594	ZOIZXXIUXGEVTH-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
C[C@H](N[C@H](C)C1(C)CCCC1)C1CC2(CCC2)C1	2067529491	HWSNJEZKXOZOQU-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC1CC(C(C)(C)C)C1	2067988444	JQTYIABNMOYITF-IUDNXUCKSA-N	249.442	4.680	0	10	BJAE	
C[C@H](N[C@H]1CCCCCC12CC2)[C@H]1CCC1(C)C	2068349469	VUNDBPAPSRWFGY-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068713678	PQNJLIRAJIRREF-PHZGNYQRSA-N	248.410	4.742	0	10	BJAE	
CC(C)C(CCN[C@@H](C)c1ccccc1)C(C)C	2068958506	UXMUMAOEJCNRTL-HNNXBMFYSA-N	247.426	4.656	0	10	BJAE	
CC(C)CC1([C@@H](N)[C@H]2CCC3(CCCC3)C2)CC1	2069515925	TYTRIYUIEOKRKV-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)CC[C@@H]2C2CCC2)CC1	2071784418	AEQVQOHJSOKEQT-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@H]2CNC3(CCCC3)C2)CCC1	2071945157	DCCWSFSQVLRKHR-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1CC(=C2CCC2)C1	2072425403	NIBGCDLRAJRRJD-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C2CC3(CCC3)C2)CC1	2072681609	KZDDRMYULAWITB-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@H]1CC[C@H](C)CC1)[C@H](O)c1ccccc1	2072791685	SNSLSSJFNSPHPZ-JKQORVJESA-N	246.394	4.573	0	10	BJAE	
CCCC1(CC(=O)c2cc(C)c(C)cc2C)CC1	2074597647	QHYOUZYWYKJAND-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CCN(c1cccc(C)c1)[C@H]1C=CCCCCC1	2074795413	VUOQPPSYBZAFAO-INIZCTEOSA-N	243.394	4.710	0	10	BJAE	
CC[C@]1(C)CCCN([C@@H]2C=CCCCCC2)CC1	2074803876	DXVZIDWXNIRJGD-IAGOWNOFSA-N	249.442	4.778	0	10	BJAE	
CCCCN(C[C@@]12CCC[C@@H]1C2)C1CCCCC1	2076583738	BORBKGRHXAZECW-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1C[C@H]1C1CCCC1	2079451330	PWXKDLOWABBJPR-XIRDDKMYSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(CC)c(NC[C@H]2C[C@H]2C(C)C)c1	2079623872	JGDULRZQWPPZLX-CVEARBPZSA-N	245.410	4.515	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1C[C@H]1C1CCCCC1)C1CC1	2079859144	AHQBTCMCEBMYSO-VMGRFDJRSA-N	248.410	4.598	0	10	BJAE	
C(CC1CCCC1)=C1CCCNC12CCCCC2	2083809586	VHXRTBORCIBUQP-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC[C@@H]1CC[C@@H](N(C)[C@H]2CCC23CCCCC3)C1	2085285811	YEKBSKAJOJWMPA-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CCC(C)(C)C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213277574	LMSLSLMGBXLNTM-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)CN(C)CCCCCC1CC1	2213532027	ORINPDCOGFOHQJ-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
O[C@H]1CCCCC[C@H]1CCCCCCC1CC1	2213575186	CLRAPMGYHRRROM-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H]1CCCCCCC[C@@H]1O	2215237910	SJULVXBNPUQVOI-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1(C)CC(C)(C)C1	2215439547	HYJZDASRKCNKAO-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](C)NCC1(CC2(C)CCCCC2)CC1	2217142217	PCRPBESSRIYLHW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218329203	BEBWGIZAMBPAIM-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218342447	BLTUEOUHQBNCPP-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218378712	VEHNMWMHFFJRFL-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1CC12CCCC2	2218717457	DQEDYKHWOQEWSA-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C12CCC(CC1)C2(C)C	2220964716	XFMWIEHKSWFKPX-YFTKNLTDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)c1cccc(C2CC2)c1	2220965282	YYFAZCFKUSGKOT-WFASDCNBSA-N	242.362	4.573	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)C1(C)CC2(CCC2)C1	2221003224	CTJNHTSSAIAXDM-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)C2(CC3CC3)CCC2)C1	2221024639	DDFSJFGETAJEMC-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
c1nn(CCCCCCCC2CC2)cc1C1CC1	2223107963	IDYBJUKOWZHLRM-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
C[C@@H]1CC=C[C@](N)(CCCCCCCC2CC2)C1	2223122439	LDBSSSNSQLLBMB-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)CCCC(=O)c1cccc2ccoc12	2224163317	ULPCOFGWWBVQHN-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CCCC(O)(CCC)CCCC[C@@H]1C[C@@H]1C	2243038216	CPXXPADHMYGPBR-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)C(=O)CCCCC[C@H]1C[C@H]1C	2243886935	ZCKBIHSKECPJBM-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](O)CCCC[C@@H](C)CCCC(C)C	2244844936	ITFQRPPJBJGEPX-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(O)C(C)C	2244851000	IWXWDODCTNDDDW-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CC[C@H]1CCC[C@H](C)C1	2246728606	SZDQRGGXDZATCJ-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)CNCCCC[C@@H]1C[C@H]1C	2247094222	VWRCEWOUEVOQGK-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN(C)[C@H](C)CC(C)(C)C	2247168142	ZJUCTOMODJGJIW-KFWWJZLASA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1=CCCCC1)NCC	2247453932	FJVRKOHEOLVHFH-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCCCCNCC1=CCCCC1	2247490242	NTJVZRBCDWIRPZ-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@](C)(N)CC(C)(C)C	2248878198	IPHLIBFFCXVWOT-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)C1=CCCCCC1	2250356574	RHIKHYJSPQYBPH-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC[C@]1(C)O	2250466346	DBTKZTHHURLXFI-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CC[C@@H](C)CCCC(C)C)[C@H](C)NC	2250482901	XDTYWWJSRGOWTE-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC[C@@](C)(CC[C@@H](C)CCCC(C)C)CNC	2250493095	YSQRJUBJUKPXHW-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@]12CC[C@H]1C2	2250518041	RAZCNMFZXHBKON-DZKIICNBSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@]12CCCC[C@@H]1CC2	2251166285	IJVLRTCPNMXTKZ-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@]12CCCC[C@H]1CC2	2251218629	UIFMARRIWSNEHR-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@H](N)C1CC(CC(C)(C)C)C1	2251536215	CQVPFGVXSKCYAP-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)C[C@H]1[C@H](O)C(C)(C)CCC1(C)C	2251718979	NILUDCFFLLYULF-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCc2sc(-c3ccc(C)cc3)nc21	2252759619	TVHLJSRZDAJRSA-LLVKDONJSA-N	243.375	4.558	0	10	BJAE	
CC(C)(C)C[C@](C)(O)c1ccc2ccsc2c1	2253077091	WTAKZFFMZHAUPS-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)c1ccc2ccsc2c1	2253131235	CZCPLHXHQOZWCE-GFCCVEGCSA-N	244.359	4.520	0	10	BJAE	
CCC1(CC)CCCN1CC1CC2(CCCC2)C1	2254121082	BRKHEVFOLOKZOY-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCN(CCCC[C@H]1C[C@H]1C)c1ccccc1C	2254579301	CYLHUQRVBMGEBU-CVEARBPZSA-N	245.410	4.648	0	10	BJAE	
Cc1cccc(C)c1C(=O)CCCC[C@H]1C[C@@H]1C	2254604998	KZJBTUWCNHUQBT-GJZGRUSLSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@H]1CC1=CCCCC1	2255136088	GBOQHHJBZOOOIC-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C[C@H]1CCCC12CC2	2255325949	BRUUDMCTMFFLDP-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
Cc1ccccc1N(C)CCCCC[C@H]1C[C@@H]1C	2257289066	ITIKUZNOAGYFGC-HOTGVXAUSA-N	245.410	4.648	0	10	BJAE	
C[C@H](NCCCCC[C@H]1C[C@@H]1C)c1ccccc1	2257320167	HZCDNAOPXBORAL-ZOBUZTSGSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cccc(CC(C)C)c1	2259443762	MYCRASIMYUXGHX-NVXWUHKLSA-N	248.410	4.745	0	10	BJAE	
CCCC1CCC(NC[C@@]23CCC[C@H]2CC3)CC1	2260537076	KGWMFDISPBHRPM-XGHPGWEVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@]23CCC[C@H]2CC3)CC1	2260573918	KBEVDNUAZRUNSW-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@@]23CCC[C@@H]2CC3)C1	2260645741	JRHCYZLIXMEJNO-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CCC(=O)CC2CCC3(CC2)CC3)C1	2261511309	FEIYALZRPFVZFK-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CC[C@@H]1C[C@@H]1C)NC	2298127332	WNMUCOZDXGREBI-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)CCCCCC1(C)C	2298926895	PXHXHOPQYXPPLM-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C[C@@H]1CCC1(F)F	2299039413	DVTZZWMYRMQIBU-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@H](C)C1)CCCC(C)C	2300889430	VWZGEGALBXLCCY-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC[C@@](N)(CC1CCCCCC1)[C@H]1CC1(C)C	2301144389	DAJIBSLTRHKTJC-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)CCCC1=CCCCC1	2302357187	VRUNWJKQMBAIHK-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCCNC[C@](C)(CC)C[C@@H]1CCC(C)(C)C1	2302710794	UAAAUIJFCLVVOJ-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CC2CC(C)C2)CC1	2303601402	FAMSPIAWOQRCPU-XGTXGMFGSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](CC[C@H]2CCC(C)(C)C2)C1	2304422306	HFISFNFBYFVQPL-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)c1nc([C@]23CCC[C@H]2C3)cs1	2307702596	XDSDPWGBWKLROO-NHYWBVRUSA-N	249.423	4.662	0	10	BJAE	
CCC[C@@H](CC)CN1CCCCCCCCC1	2307747605	QUYVSUUIUQEOPA-MRXNPFEDSA-N	239.447	4.859	0	10	BJAE	
CCC[C@H](CC)CC1(O)CCC2(CCC2)CC1	2307840451	FNBFBSOFIHLCIJ-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](CC)CN(C)CC1(CC(C)C)CC1	2307909538	KSUKYDRLETZZAQ-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CC[C@@]12CCC[C@@H]1C2	2310381755	KGCQASXTMIHLTA-DMRKSPOLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]1C1CCCC1)C1(C)CCCCC1	2311539264	ZBKPNCPSPFCQEI-VNQPRFMTSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2C[C@@H]3CC[C@H]2C3)c1	2312931903	GPWSPPTVCWOHFB-VNQPRFMTSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@@]23CCC[C@@H]2CC3)C1	2313349031	QTFXTYPEOIUNPU-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C[C@@H](C)c1ccccc1	2313705626	VMJNEIKPFIPJNI-KGLIPLIRSA-N	244.378	4.576	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1ccc(C)c(CC)c1	2314712603	QHPTWRBQDUOGFE-RHSMWYFYSA-N	247.426	4.774	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CC12CCCCC2	2316503802	RNPSKNZVQUHVEN-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316782637	KRHHGEHPNBKKCA-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C[C@@]12CCCC[C@@H]1C2	2317903892	JFYWIUPZPKWSEL-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C1=CC[C@H](C)CC1	2317907888	UIHUZENCRRZGFO-WMLDXEAASA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1[C@@H](C(=O)[C@@H]2CCCCC23CCC3)CC1(C)C	2318241147	ODFLUUXUJMWFND-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H]1C[C@@H](CCCC2=CCCCC2)CC[C@H]1C	2318591658	ANWPDFRZTVNGOE-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CN(CCCC1=CCCCC1)[C@@H]1CCC2(CC2)C1	2318599787	ZADUDCLYGSQFTE-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CCC1(CC)CC(N)(CC[C@H]2CC[C@H]2C2CC2)C1	2319748117	GXBOJXYXOPXTFV-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1NC[C@@H]1CC[C@@H]1C(C)(C)C	2320319372	FYTQBNDLPLSVPY-GJZGRUSLSA-N	245.410	4.733	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(N)CC23CCCCC3)CC1	2320412382	OEHIJPDAKJWFGM-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CCCC[C@@H]2F)c1	2320574357	HUFPNTYYRKSUGZ-CABCVRRESA-N	248.341	4.521	0	10	BJAE	
CC1(C)CC[C@H](CCNC2(C3CC3)CCCC2)C1	2321613237	JMHQCLNLBJCSEO-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)N[C@H](c1ccccc1)C1CCCCC1	21047219	CPBLFKUCPKISBR-WMLDXEAASA-N	245.410	4.696	0	10	BJAE	
CCC[C@@H](C)CNc1ccccc1C(C)C	21503329	KUKAFCBMYNIRBN-CYBMUJFWSA-N	219.372	4.658	0	10	BJAE	
CC[C@H](C)c1ccccc1Oc1ccccc1N	21512626	HYWVPIWXQHQLAT-LBPRGKRZSA-N	241.334	4.575	0	10	BJAE	
CCCCCC[C@@H](CCCCC)NCC	34617954	WEHCTRJLPBOYNH-CQSZACIVSA-N	213.409	4.515	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccccc1OCCC	36955374	UPARJILBCDCAIO-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
CCC[C@]1(C)CC(C)(C)c2ccc(C)cc21	71787086	BNTAYAAILUZALI-MRXNPFEDSA-N	216.368	4.734	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC[C@H](C)CC2)c1	86879096	CKUMKQIAPJRVCN-SWLSCSKDSA-N	231.383	4.684	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@@H](C)CC1	86887887	YEENCRXORQXHGG-CZUORRHYSA-N	245.410	4.938	0	10	BJAE	
CCCCCCC1(CN)CCC(CCC)CC1	87960447	OSNOCJLYLSEIOC-UHFFFAOYSA-N	239.447	4.892	0	10	BJAE	
CCCC[C@@H](NCC)C1CCC(CCC)CC1	87963846	WJQSPENIEIKTRE-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)c2ccc(C(C)(C)C)cc2)C1	87985186	PDIRUUFGBMHPGC-GXTWGEPZSA-N	244.378	4.603	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)c2ccc(C)cc2C)C1	87988326	ODDHXPLOIKFULP-INMHGKMJSA-N	245.410	4.520	0	10	BJAE	
Cc1ccc(C(C)C)c2oc([C@H](N)C(C)C)cc12	88075147	JZZUXXBDVNQULB-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CCCNC[C@H](C[C@H](C)CC)c1ccc(C)cc1	93139169	QQEWBHMRAODMTC-PBHICJAKSA-N	247.426	4.514	0	10	BJAE	
CCC(CC)[C@@H](CNC(C)(C)C)c1ccccc1	94675276	RZSLJQMNSRMPST-MRXNPFEDSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](N[C@H](C)c1ccoc1)c1cccs1	94869170	BUMCGLWFWOPTGC-YPMHNXCESA-N	249.379	4.533	0	10	BJAE	
CC1([C@@H](O)c2csc3ccccc23)CCCC1	94906829	WVCQRXSTCMCYSP-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](CC)Cc1ccccc1	116383536	OOVZCEMCYXJOTB-WBVHZDCISA-N	247.426	4.566	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCC(CC)CC)CC1	124841104	YOQSTJAPDBDUKE-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CNC1CCC(C(C)(C)C)CC1	124845714	OUPSYCXOUKXVET-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NCC)c1ccc(CC)c(CC)c1	128006329	OPKLTGRGSXFXOY-KRWDZBQOSA-N	247.426	4.652	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCC(C)(C)C[C@@H]1C	155826314	FVTNZUWVEBUVMN-GXTWGEPZSA-N	249.373	4.761	0	10	BJAE	
CCC(CC)[C@H]1CCCCC[C@@H]1CNC(C)C	155831623	FWHBYDRUSBFYCS-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](O)(C2CCCCCC2)C1	167599303	XHOZGSBOHBOJKK-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCC(=O)[C@@H]1CCCCC1(C)C	226795864	BPNLSTWTLMMJJY-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCCC1CCC(C(=O)[C@@H](C)CC)CC1	229248500	FYGXMDJYHBOVLZ-HSBZDZAISA-N	224.388	4.598	0	10	BJAE	
CCCC1CCC(N[C@@H](C)CC2CCC2)CC1	229693530	AVGCXJAPSYLHAQ-HLIUYOAVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@](CC)(CNCC)[C@@H](C)CCC	232989326	PYKBTTKBRWXDGG-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CCCN[C@H](CC1CCC1)C1(C)CCCCC1	233162882	JVJWXFSZQHZILI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](NCC1(CCC)CC1)c1ccccc1	233295737	NEAZRVWVNQXMTM-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)C1CCCCC1	233584901	OGSTZXDCCTXDLT-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CCC[C@@](O)(C2=CCCCCCC2)CC1	235616833	WVARHDFJGAMXFB-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C2=CCCCCCC2)c1	235817707	FEQGSRABXSJLSV-KRWDZBQOSA-N	243.394	4.584	0	10	BJAE	
CCC[C@]1(C[C@@H]2C[C@H]3CC[C@H]2C3)CCCCCN1	251200745	VFXBTEPSARISHO-LUKYLMHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H]1CCCCC1(C)C	251818280	PAYWYZTUAUEBSG-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](CC2=CCCCC2)NC)C1	253182084	UWFXSNQVOLJVIQ-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCC[C@H](CC(C)C)C1	300308993	LYGPHDBIGAYVMO-OWCLPIDISA-N	239.447	4.760	0	10	BJAE	
Cc1cccc([C@](C)(N)CCC2CCCCC2)c1	302300556	ZPKKPVADSBXJRP-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H](C)CC(C)C	304568048	WRMSYTKYVZZLIX-ZDUSSCGKSA-N	215.340	4.557	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C(C)(C)c1ccccc1	306026316	ZIDVYWJCMWGKSZ-CQSZACIVSA-N	246.394	4.606	0	10	BJAE	
CCc1sc2cc(Cl)ccc2c1SC	307133460	XPDWPGJRPVGFAM-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1C=CCCCCC1	310068014	IRIICLJCTOTFCG-CQSZACIVSA-N	249.785	4.949	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cc(CC)ccc1CC	310629243	ZUXNAKXPCFMAPN-CXAGYDPISA-N	247.426	4.638	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](C)C(=O)c2ccccc2)C1	310936213	GBULQDCLFWOPPX-KFWWJZLASA-N	244.378	4.722	0	10	BJAE	
C1CCC(CN[C@H]2CCCC23CCCCC3)CC1	313016204	OGGGMBGDGBVIQX-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CNC[C@]1(CCCCCC(C)C)CC[C@H](C)C1	317991036	MZWJLUYIGBHLRS-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC1(CNC(C)C)CCCCCCC1	317992767	WXYAWGOUKJCGIM-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)CC)CC[C@H](CC)C1	318508444	XVJHONLAHACMJJ-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@]1(CNC(C)(C)C)CCCC[C@H]1C	318809402	XVVOHNFVGPMHJF-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@H](C)Oc1ccc(C(C)(C)C)cc1	319624588	OQMBBIIHRWHWPA-STQMWFEESA-N	234.383	4.798	0	10	BJAE	
CCCN[C@H](CC/C=C/c1ccccc1)C(C)C	324298550	QBFSHRIVEBLFAK-FWVUHSSSSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@H]1CC[C@H](CC)CC1	328424387	BQCPXFNXYXIOCL-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1NCC1=CCCCC1	379577206	BQTHORFFSQWDKL-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](c1ccccc1CCC)[C@H](C)CC	384485356	CRKOAYOTMHXANS-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1CCCC[C@H]1C	384521945	KFFBRLMMXSIBKT-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@@](C)(O)CC(C)(C)C)C1CCCCC1	395010078	TWXNYZIBAXUHHG-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H](C)C2CCC2)C1	398673449	TVZCEMJXXWTZQV-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
Fc1cc(Cl)ccc1CCC1=CCCC1	401166931	SFVFCMUINVAFAM-UHFFFAOYSA-N	224.706	4.522	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1c(C)cccc1C	575358342	VWBWUVKBZZNWEU-AWEZNQCLSA-N	232.367	4.703	0	10	BJAE	
CCCNC/C(=C\C1(C)CCC1)C1CCCCC1	686135453	DFGJHMOHVUTXBS-DTQAZKPQSA-N	249.442	4.683	0	10	BJAE	
CCCNC/C(=C/C1(C)CCC1)C1CCCCC1	686135454	DFGJHMOHVUTXBS-SSZFMOIBSA-N	249.442	4.683	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](CN)C1CCCCCC1	688456818	XHOVCGQHXDBSKM-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@@H](C)C(C)(C)C)c1	688914244	LOYKKPJZOHWEDI-CZUORRHYSA-N	247.426	4.882	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](CC)C(C)C)c1	689596687	OGXRUFHOTUCSHL-OAHLLOKOSA-N	233.399	4.658	0	10	BJAE	
CCc1ccc(CC)c(NC2CC(C(C)C)C2)c1	689609543	FUJRMVYSEIPZIR-UHFFFAOYSA-N	245.410	4.658	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(O)CCC(C)(C)C	691127063	LLJAFBJODDQJPX-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCc1ccc(N[C@H]2CCCCC[C@H]2C)cc1C	691139593	OZXLKNIDWGHZGP-DYVFJYSZSA-N	245.410	4.938	0	10	BJAE	
CC(C)NC[C@]1(CC2CC=CC2)CCC[C@@H](C)C1	692163712	GSGJGHRVHDQZBK-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CCNCC2CCC3(CC2)CC3)CC1	695698674	GEMNMQNBNCBOHD-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCC(C)(C)CC1	697578909	HCKDAFDTDHZLND-HNNXBMFYSA-N	239.447	4.904	0	10	BJAE	
CC(C)=CCCNc1cc(C)c(F)cc1Cl	697777219	GETPFTQHDLBGHP-UHFFFAOYSA-N	241.737	4.556	0	10	BJAE	
CC(C)=CCCC(=O)CCC1CCCCC1	697829559	ULHMBQVLAYKDDI-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	699089532	YXJXQFNAGVWALJ-ZENOOKHLSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(CC)[C@@H]1CCCC[C@@H]1CNC(C)C	701150754	WBELHLFUQZBDPZ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@@H](C)CC(C)(C)C	701243424	LOYJTIWNXQSITP-CHWSQXEVSA-N	227.436	4.602	0	10	BJAE	
Cc1cccc(N[C@@H](C2CCC2)C2CC2)c1Cl	705301307	DUONBJBDIRLBGP-HNNXBMFYSA-N	249.785	4.639	0	10	BJAE	
CC(C)[C@@H](Nc1ccccc1C(C)(C)C)C1CC1	705312441	XVYQCDLYORXCTD-MRXNPFEDSA-N	245.410	4.831	0	10	BJAE	
CCC[C@H](CC[C@H](C)CC(C)(C)C)NCC	709102290	LUHJYVDILQMJQO-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC1([C@H](O)C[C@H](C)CC(C)(C)C)CCCC1	709121663	DVSAOPKRZRWSCW-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2CCC[C@@H]3C[C@H]32)n1	709475382	GSGNYZJEKCFWLH-IJLUTSLNSA-N	249.423	4.734	0	10	BJAE	
CC[C@@H](N[C@H](C)C(C)(C)CC)c1cccs1	710023279	GOUIBQRBQZYQLY-VXGBXAGGSA-N	239.428	4.614	0	10	BJAE	
CC1(C)CCC(N[C@H]2CCCC[C@H]2C2CC2)CC1	710135099	CRJCTKKYFNEOKA-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(N[C@@H](c2cccs2)C2CC2)cs1	710766212	PXWBTUWVMSPJGD-CYBMUJFWSA-N	249.404	4.681	0	10	BJAE	
CC[C@@H](CC(=O)CCC(C)(C)C)C(C)(C)C	711174469	BZEZNFBDFGTEQF-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
N[C@H](CC1CCCCC1)c1ccc(C2CC2)s1	716625323	AMSYHMOVPYTMLZ-CYBMUJFWSA-N	249.423	4.596	0	10	BJAE	
CC[C@H](C)c1ccc(NCc2cc(C)co2)cc1	718098492	QYHPZVPFGJBDLO-ZDUSSCGKSA-N	243.350	4.714	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@H]1CCCC1(C)C	718597124	YZGOMAFRCXMYSJ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)c1ccccc1NCCCCC1CC1	720102103	CAQBFVMMXVICSR-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
C1CCCC(C[C@@H]2CCNC23CCCCC3)CC1	721032994	ILOIIFVLVBHISE-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H]1CCNC12CCCCC2	721087036	LLWRHDTXGSVNKK-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@@H]1C[C@H]1CC)NCC	723068816	FGSNXCKIQOBWRE-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
c1ccc(CCCSCCCC2CCC2)cc1	1165656347	MZXVEXSXCTUXTB-UHFFFAOYSA-N	248.435	4.933	0	10	BJAE	
C=C/C=C\CCN(C(C)C)[C@@H](C)c1ccccc1	1460174195	HTSAJLBUZLKRFT-WLMCBFPDSA-N	243.394	4.590	0	10	BJAE	
Cc1ccc(N(C)CC[C@H]2CCC[C@@H](C)C2)cc1	1473140924	XMIUVOXDBSNWFK-HZPDHXFCSA-N	245.410	4.648	0	10	BJAE	
C[C@@H](SCC1(C)CCC1)c1cccs1	1613570205	CKQMNXDTIUZVON-SNVBAGLBSA-N	226.410	4.733	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNCC2CCC=CCC2)C1	1658045928	ZDHJYEZQFPDSEC-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
Cc1cc(CC(C)(C)C)c(C)cc1Cl	1889572214	GHBPUXYIHJWDNT-UHFFFAOYSA-N	210.748	4.545	0	10	BJAE	
CCCC[C@](CC)(CN)CCC(CC)CC	1900711369	CVMGOTPUZQMCQR-HNNXBMFYSA-N	227.436	4.748	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCC(C)(C)C1=O	1900714954	YPRFYRJIQZCSSB-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
Cc1cccc(N[C@@H](C)[C@H](C)C(C)C)c1Cl	1901625726	MUSHLZDJBVLUQP-NEPJUHHUSA-N	239.790	4.741	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)[C@H](C)C(C)C	1901709823	POKYWVQEDVSBHY-KFWWJZLASA-N	227.436	4.616	0	10	BJAE	
CCC(CC)c1nc(Cl)cc2ccccc12	1901893135	UELMWSHBCIZRJV-UHFFFAOYSA-N	233.742	4.792	0	10	BJAE	
Cc1cc(-c2ccc(CC(C)C)cc2)cs1	1901895513	OHLIWRDNOBPJBJ-UHFFFAOYSA-N	230.376	4.922	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC(C)(C)CCC1=O	1905444005	KCQXVTUELCBECL-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](O)CCC1CCCCC1	1908554699	GFKQATIWEAJNCS-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCCC[C@@]2(C)O)CC1	1909701645	PZOZKXVEMSTVCW-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CCCCCCCC[C@@H]1NCC	1913423008	HLEFPBATIXWFCN-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CCC2(CCCC2)C1)C1CCCC1	1916400290	OSQNYWWBKRCCMB-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](C(CC)CC)[C@H](C)C1CCCCC1	1924112261	XGNNLFCIFCXSDE-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1NC[C@H]1C=CCCCC1	1925822225	YYNUASYBQPYLGI-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCN[C@H](C)C1CCCCCC1	1926158990	DPROAFZXHHQEQY-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C1=CCCCC1	1926377163	ZRAZGLXGYGQMRJ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)[C@@H](NC)c1cscc1C	1938844150	WLLKYTDLBKJRSL-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CC(C)=CCC[C@H](O)c1ccccc1C(C)C	1940625234	IZNOBJBPMDMURL-INIZCTEOSA-N	232.367	4.590	0	10	BJAE	
CCC[C@H](C)C[C@H](CC[C@H]1CC1(C)C)NCC	1940856519	OQBHCJRNWVAGAL-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)C[C@H]1CCC[C@H](C)C1)C(C)C	1941265610	XEYSVSRKJREXPB-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@H]1CCCCC1(C)C	1942658582	HECNGSGJHFFHNR-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CCCC(C)(C)CC1	1942665007	UZMVTXHTQTTYRQ-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@@]1(C)C=CCCC1	1943135397	JXSUKHIZIZDGNS-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
Cc1ccsc1C(=O)[C@]12CCCC[C@@H]1CCC2	1944225305	YWIPLNPWKIRKTH-DOMZBBRYSA-N	248.391	4.600	0	10	BJAE	
CCC(CC)C[C@H](NC)C(C)(C)C1CCCC1	1944641501	RAVAUZYRIWDOON-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C(C)(C)C1CCCC1	1944645173	GZSMOKXMYQKUPB-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)C(C)(C)C1CCCC1	1944800159	WRWQPZLKGOSMQD-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)c2cccc3sccc23)C1	1945970694	RIRMVRIJMKGMAA-MNOVXSKESA-N	244.359	4.520	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1947857327	RLWBTVUKUFTZOE-QXSJWSMHSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CCC(C)(C)C1CC1	1949033719	LHPKDPUSWIVYIG-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c([C@H](N)C[C@@H]2C=CCCCC2)s1	1949124997	OUVVJYHXUXQCKA-ZIAGYGMSSA-N	249.423	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)CCC(C)(C)C2CC2)C1	1949737735	HCQPFGCIMZJEEU-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCCC(F)(F)CC1	1950012258	QCRWIFIWAMNTDR-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)[C@H](NC)[C@H]1CCCC(C)(C)CC1	1950916565	BISBJCMDGONIOS-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(C2(C(C)(C)N)CC2)CC1	1952001598	NNTSQQIMEKXIIF-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cc(C)c(Cl)s1	1960262885	WJTOFALYEOZWBK-WCBMZHEXSA-N	246.803	4.570	0	10	BJAE	
CCC1(CC)CC(NC[C@@H]2C(C)=CCC[C@@H]2C)C1	1963182659	NFTNGPFEJBEELH-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCN(CCCCCC1CC1)c1ccc(F)cc1	1966273507	UWEPFACHFJYEJU-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
CC1(CN[C@H]2CCCCC23CCC3)CCCCC1	1967724572	DHTHRRDNTMSUPA-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(OCC2CC(C3CCC3)C2)cc1C	1968307028	CIZVAAHOXPKLLJ-UHFFFAOYSA-N	244.378	4.509	0	10	BJAE	
Cc1cc(F)ccc1NCC[C@H]1CCC[C@H](C)C1	1968366778	MXPDTLYNMLMTJA-GXTWGEPZSA-N	249.373	4.762	0	10	BJAE	
C[C@@H]1CC(NC2(C3CCCCC3)CC2)C[C@@H](C)C1	1970595604	KMGQCIPJCFNLHX-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCCC(F)(F)C1	1974285123	JAQNXWUEULRVHK-ZDUSSCGKSA-N	247.373	4.513	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)c1sccc1C	1978540488	MSAQXTAUXUUMRQ-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1csc(C(F)F)c1	1978577355	KVNWTWPPOHHWDZ-VIFPVBQESA-N	247.354	4.512	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)C1(C)CCC1	1981359769	GFQYKNOBBSAKCB-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)C[C@@H](N)C1(C)CCCCCCC1	1981416202	MSFACXCEMPZPLP-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
FC(F)(F)[C@H]1CCC[C@H](CC2CC=CC2)C1	1981977895	VMEJPJLPWLBXSR-NEPJUHHUSA-N	232.289	4.711	0	10	BJAE	
CCCC1([C@@H](N)CCC(C)(C)CC)CCC1	1988425058	DHGCLMZUGZKJKR-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCCC1CCC(CC[C@H](O)CCC)CC1	1989809964	MWWUNGJJIANYBM-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@](O)(CC)[C@H]1CCC(C)(C)C1	1990092070	UXJPLAHOBOHTSD-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)CN(CCC)C(C)(C)C	1990760644	LZJCRPDXUXSJBU-AWEZNQCLSA-N	227.436	4.713	0	10	BJAE	
CC1(C)CC[C@@H]([C@](C)(N)C2(C)CCCCC2)C1	1995989714	ZTCAHTGCOUFJSL-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(C1CCCCCC1)C1CCCCC1	1996594963	RECUFVWOAYYCSH-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)CC1=CCCCC1	1998380271	MMVGTDYGTALAIG-LSDHHAIUSA-N	237.431	4.824	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC2(CCC2)C1	1998695784	KIXVRFKMFVZEFU-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1CCC=CCCC1	1999984349	XMTCEXABGGKUFD-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@@H](C)N(C)[C@H]1CCC2(CCCC2)C1	2000894079	BZPBQLXHXMHERW-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(N)[C@@H]1CCC[C@@H](C)C1	2003014105	KSJXPEXOHDKVIS-QXSJWSMHSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCN[C@H](C)[C@@H]1CCC[C@H](C)C1	2003019578	XHWMXSDBDIEEHC-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCC[C@@H](CC)C1	2004711905	OMSCOUQHRFWNIA-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1CCCCC12CCC2	2005563411	KGVYPHWJBKUXDD-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC1(CCC[C@]2(CN)CCCCC2(C)C)CC1	2005590582	WPSVQBMPXGGNQG-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CCC[C@H]2C)CC1	2006717185	HTNXGJDGPTZZKP-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(CC(CC)(CC)CNC(C)C)C1	2007748824	HEKUCRLVVRLDJK-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CC(=O)[C@@H]2CCCC[C@@H]2CC)C1	2007770206	ZVYHODTXFUYSGX-PFSRBDOWSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)[C@H](C=C1CCCCC1)NC	2007946018	NHGKBXLHIGBGBI-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](C)CC[C@H]1O	2009407268	MCLPIDKNQHYDHO-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)C(C)(C)C(C)(C)C)CC1	2010762805	JRTJWWVTZWYANF-JSGCOSHPSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCCCC[C@H](O)C[C@]12CCC[C@@H]1C2	2010981333	HBQNUZPDQAZVFP-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
Clc1ccc(OCC2CC(=C3CCC3)C2)cc1	2011064896	BELJMANRRARBFY-UHFFFAOYSA-N	248.753	4.609	0	10	BJAE	
CC1(C)CC(=O)C[C@H](CCC2CCCCC2)C1	2012084270	MXXNUHWADNCONY-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@H]1CCC[C@H](C)C1	2013274794	UKMFZWTWSHLVNB-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1C[C@@H](C)CC[C@H]1C	2013323282	VLKOBDPXIRTWDX-ZJIFWQFVSA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)C1CC(O)(CCCCCC2CC2)C1	2014655009	HZDZJEIQCBXUJX-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C1(CC(C)C)CC1	2015748508	DRCPEEMRPJQPAA-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CC[C@H]1C[C@@H]1C	2017236806	KRHAZBZAEVYSRA-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CNC)C[C@H]1CC[C@H](CC)CC1	2017726257	YADKJXIFIVBYHU-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@H]1CC[C@H](CC)CC1	2017727886	FMYTUGRHVVIJMJ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@H](NC)C(C)C)CC1	2017730145	DPMAHDLFKSINBB-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CNC(C)(C)CC(C)C)CC1	2017730796	LBKKJADRSLAAAN-SHTZXODSSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@H](CC)[C@H](C)NC)CC1	2017731163	OMBQUJMAQQJRDX-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@](C)(NCC2CCCCCCC2)C1	2017879726	XQCZRTJJSIIMPW-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@](C)(NCC2(C)CCCCC2)C1	2017906798	ZYDGYMSXOQIHMD-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@@H](C)CC(C)(C)C	2018181955	CXOFDFUQGZBLAN-GJZGRUSLSA-N	241.463	4.959	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCCC(C)(F)F	2018187138	CSVKGKVWJZBIBP-ZDUSSCGKSA-N	249.389	4.713	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@]12CCCC[C@H]1C2	2018565069	OLVPWJYRWLTETO-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(=O)C[C@@]12CCCC[C@H]1C2)C(C)C	2018634472	YGUHQHUMSQBWTD-DZKIICNBSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@H](O)C2(C)CCCCCC2)CC1	2018965502	RIHDKGSUWUNRHM-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)N(C)CCC1=CCCCC1	2019342225	JZIQWAMXTZAKOG-INIZCTEOSA-N	237.431	4.778	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccccc1C1CC1	2021026212	NJTDMTRQGYHRSZ-IUODEOHRSA-N	229.367	4.555	0	10	BJAE	
CC(C)[C@H](C)CNc1ccccc1C1CCC1	2021027077	ORQAADVVHYSROM-CYBMUJFWSA-N	231.383	4.658	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1ccccc1C(C)C	2022493307	QIXQHTPBSRUCLZ-KBPBESRZSA-N	231.383	4.658	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC(F)=C2CCC2)C1	2023187178	OSANOKRIALAYSN-WCQYABFASA-N	238.346	4.570	0	10	BJAE	
CCCC(C)(C)[C@@H](CCCCC(C)(F)F)NC	2023290482	QSTLKTWYNDDMNL-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@](C)(N)C2CCCC2)C1	2024102325	RFRSFWSGXIHYCQ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](O)CCCC2CC2)C1	2024126477	XKYGTZOLLQWKQH-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CCC[C@@H]2CC2(C)C)C1	2024126935	ZFVFXESLICUWAW-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)C1=CCCCCC1	2026943346	VYPLCYGKFHFXDO-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCCCC[C@@](C)(O)Cc1ccccc1C(C)C	2027463368	OULXTKSNRVXCJY-QGZVFWFLSA-N	248.410	4.684	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1[C@H](C)CC[C@H](C)[C@H]1C	2027793796	PLIXSRCJHGDDRF-MZXFEWSRSA-N	249.373	4.617	0	10	BJAE	
CC[C@@H](NCCCC1(C)CC1)c1cccc(C)c1	2027807369	FGHULVYKZDLCQH-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC(=C[C@@H](C)C1CCCCC1)c1ccc(N)cc1	2027942236	VIJDIMSOPCWTPK-CYBMUJFWSA-N	243.394	4.889	0	10	BJAE	
CCc1cccc([C@@H](N)[C@H](CC(C)C)C(C)C)c1	2028256289	YAPFZFPVXAOZAD-IAGOWNOFSA-N	247.426	4.567	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1ccccc1CC(C)C	2028916223	WYGLWZSOQUYQSW-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)[C@H]1CC12CCC2	2032131180	GLFWQGDQEZSGLM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(N)C[C@@H]1C=CCCC1	2037304840	JKVAHEKKWFOJNA-QBPKDAKJSA-N	249.442	4.523	0	10	BJAE	
N[C@H](CC[C@@H]1[C@H]2CCCC[C@H]21)CC1CCCCC1	2038164136	BPOLIVHRWZDCHS-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
C(CCC1CC1)CCC1CCC2(CCNC2)CC1	2038427045	HFFLYMNSPVVAOI-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H]1C[C@@H]2CCC[C@@H]2C1	2038611632	TWRYSMRXLKHTGS-SCAQPMJSSA-N	241.378	4.555	0	10	BJAE	
c1cc(NC[C@H]2CC23CCCC3)cc(C2CC2)c1	2039089848	XFSBCWSVOFHECX-OAHLLOKOSA-N	241.378	4.556	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2039372570	DUVNMBMIHQABIZ-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(CC(C(=O)C[C@@H]3C=CCCC3)C2)C1	2039421887	OWMQHOGPOSQFHB-CYBMUJFWSA-N	246.394	4.518	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNCCC1(C)CCCC1	2039452561	KKRUPSVOOONJEJ-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC1(C)C)C1(C)CC=CC1	2042021059	DEZRQMMKLQIUFN-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1C[C@@H]1CC1(N)CCC2(CCCCC2)CC1	2045656480	BDEACQNUPWIWJU-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H]1CCCC[C@H]1CC	2045807660	VDHZMQQUMGOMKI-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1C[C@@H]1CC12CCCCC2	2047017088	SVKDWRPXGOFNCI-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2CC23CCCCC3)CC=CCC1	2047063951	AKPXEOVPIOFUGK-GOEBONIOSA-N	246.394	4.662	0	10	BJAE	
CN(C[C@H]1CC12CCCC2)C1CCCCCCC1	2049782524	JWDNXYWETMIJAI-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
Cc1ccccc1C(=O)CCC1CC2(CCC2)C1	2050448987	GGELHEPMNMNRBH-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@H]3C[C@H]3C2)CCCCCCC1	2052475847	PGIWUXGVWJSBBX-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCC1CCC1)[C@H]1CCCCC12CCC2	2053354614	FKMHGLAKRZROKM-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](N)[C@@H]2CCCCC23CCC3)C1	2053412306	ONQHZXFNWQTDII-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@H](NC)C[C@H](CC2CCC=CCC2)C1	2055035792	VXAVUNSAGMIACJ-PVAVHDDUSA-N	249.442	4.537	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H](C)[C@@H]1CCCC(C)(C)C1	2055669937	QLNPMFWDNFMELD-XHSDSOJGSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)C[C@H]2C=CCCC2)CC1	2056557210	RCIHVGRICOKVHZ-GJZGRUSLSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C1CCC1)C1(C)CCC2(CC2)CC1	2056557270	RTUYKDSQCGXTHX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CC1)C1=CCC(C)(C)CC1	2061089017	QDXPOJPROFTURQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@]1(C2=CC[C@H](C(C)(C)C)CC2)CCCN1	2061096671	WOOQSIIAMVZTBT-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](CC)CC1)[C@H]1CC1(C)C	2061098872	LMNLOGYPYGADKC-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC[C@@H]1CC1(C)C)C1=CCC(C)(C)CC1	2061139701	HZJQYKIHFVDPIF-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@H](NCC)[C@@]1(C)CC[C@H](C)C1(C)C	2061560841	KSQHEVZHLYTBPN-YQQAZPJKSA-N	249.442	4.548	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)C[C@]23CCC[C@@H]2C3)C1	2061608661	YRUVOORPBXEKRN-NHMAURGWSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1CC(=C2CC2)C1)[C@@H](C)CC(C)C	2061729233	UHFBWJZJQLCINE-SUMWQHHRSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1	2063535385	IQMXMBBSEYVWEV-MUJYYYPQSA-N	244.378	4.509	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2C[C@H](N)CC3(CCC3)C2)C1	2063642285	POFFATGOQSHENU-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H](C)C1CCCCCC1)C1CC2(CC2)C1	2064501979	OTHIBPOLUJVTQE-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
NCC1(CC23CCC(CC2)CC3)CCCCCC1	2065327365	LCKSDXMYDSKPNV-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](NC[C@@H]2CCC=CCCC2)C1	2066627817	QJALZNWGXGPRNN-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC=C=CCCN[C@H](C)c1ccc(C(C)C)cc1	2067323536	XNEQHABOHCOKKB-CBRWWVBESA-N	243.394	4.582	0	10	BJAE	
CC1(C)CC[C@H]1CN[C@H]1CCCC12CCCCC2	2068244980	PUIOCPYMNXNJJV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C[C@@]23CCC[C@H]2C3)C1	2070927795	WAJJHIMOYNBVKR-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1([C@H](N)CC[C@@]23CCC[C@H]2C3)CCC1	2071939112	WHCYHSZXCJDNGX-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@@H](N)CC23CCC(CC2)C3)CCC1	2071940408	KDCAYZYPWSRVLR-PCKAHOCUSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](N)CCC2(C(C)C)CCC2)c1	2071941517	USPSXNGRJDCIOA-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CC(C)C1(C[C@H]2CCc3cc(N)ccc32)CCC1	2071947942	CTMZDLXJEWHTKJ-CQSZACIVSA-N	243.394	4.515	0	10	BJAE	
Cc1ccccc1[C@H](O)CC[C@H]1CC[C@H](C)CC1	2072779032	XUJIXDHIULAVAA-FRFSOERESA-N	246.394	4.635	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2C(=O)C[C@H]3CC[C@H]2C3)CC1	2072868232	CWQDMFWJVIMKNW-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(C(=O)CC2CCC(CC)CC2)o1	2072881724	MEWXLWZAVWOAOZ-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C[C@]12CCCC[C@H]1C2	2074027899	DHRFULREFXZLMJ-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CCC=C1CCNC2(CCCCC2)C1	2074133085	KESBQXIMNNLURP-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@H]2CC23CCCCC3)CC1	2074648407	IGYXQDUCANDICF-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CCC3(CCC3)C2)c1	2077264685	YKWGUEVTBVFROM-CQSZACIVSA-N	241.378	4.699	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@H]1C[C@@H]1C1CCCC1	2079482086	DBPVJISAUODXSC-HZPDHXFCSA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](CC=C(C)C)c1cc(C)cc(C)c1C	2082925434	JQPOUYZHONXTOG-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C(C2CC2)C2CC2)C1	2082977854	BRXARUQDVFWZMY-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
FC1(CCNc2ccccc2C2CCC2)CCC1	2084764872	OIICGQFAGQDJQV-UHFFFAOYSA-N	247.357	4.648	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](N)CCCCCCC1CC1	2213578909	BCTFYLRVHNPUJU-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCCCCC1CC1	2213596890	XNNKFBFFUGYBDN-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CCC1(C)CC(C)(C)C1)CC(C)C	2215396269	QVEDNRDVRPUVLC-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2CCC[C@@H]2C)CC1	2215824546	UKCKSGSHDQAMQK-DZKIICNBSA-N	234.383	4.518	0	10	BJAE	
C[C@H]1CCC[C@@]1(N)CCCCCCCC1CC1	2216858171	BCIUYCHEZKYUID-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)CC1(CN[C@@H](C)CC)CC(C)C1	2217123694	ANGBMEZAXMHJKH-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CN[C@H](C)CC)C[C@@H](C)CC(C)(C)C	2217148889	ROBNUNOAOUVRAS-KFWWJZLASA-N	241.463	4.863	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C=CCC1	2218378470	RVCOJFBALLWTEA-HWMZRRJGSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1ccc(NC2CC(CC3CC3)C2)cc1	2218479920	JJXNLJMRZSDAGO-UHFFFAOYSA-N	243.394	4.801	0	10	BJAE	
CCC[C@@H](NC1CC(CC2CC2)C1)C1CCCC1	2218554948	LRRXGWJQZAYVIV-BDVYOWHSSA-N	249.442	4.514	0	10	BJAE	
Cc1cc([C@@H](N)CCCCCCC2CC2)c(C)o1	2218730074	GKPNDBAPCKKAGK-INIZCTEOSA-N	249.398	4.647	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1CCC(C2CC2)CC1	2218897482	WSDHTSRPALIOHK-MFNRNEDNSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](CC)(CN)C/C=C/c1ccccc1	2219096469	VZPQKLXWSXOGSR-XLNAKTSKSA-N	245.410	4.635	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H]1c2ccccc2NC[C@@H]1C	2220921682	ZSLBMOLXCPEQOB-LJISPDSOSA-N	243.394	4.658	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@]2(C)CC=C(C)CC2)CC1	2221628860	XZWFUCWMJBYQON-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)C[C@H]2C=CCCCC2)CC1	2221635229	ISIUMCMKVFJVRF-BBWFWOEESA-N	248.410	4.620	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](C[C@H](C)C(C)(C)C)N2	2224125518	QELVFXJKBSBLAY-ZFWWWQNUSA-N	245.410	4.794	0	10	BJAE	
CCCN[C@@H](c1cccc2ccoc12)C(C)(C)C	2224180558	LUTUJHGBRIIHCS-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cccc(C)c1Cl	2244785401	WRCINTMJBKKIIO-LLVKDONJSA-N	238.758	4.657	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@]2(C)C=CCC2)C1	2246672482	ZPUKSPXCPFXYIP-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
C[C@H]1CCC[C@H](CCCC2(O)CC(C)(C)C2)C1	2246729208	SEGQUDRKIJSRPE-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CC2(CC(C)C2)C1	2246844462	CLNZTHNZQBMKBU-PYEOEOCKSA-N	237.431	4.501	0	10	BJAE	
CCCCCN(CCCC[C@@H]1C[C@H]1C)C(C)C	2247161031	YEZGNULDVAWADC-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)[C@H]1CC[C@H](C)CC1	2247173417	RZCZWZMZQCALJP-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@@H]1CCC12CCC2	2247307538	CSYAVWIHEZDWRP-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](NC(C(C)(C)C)C(C)(C)C)C1CC1	2247723336	QWZXCIWMZYUXNE-ZDUSSCGKSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](CNCC(C)(C(C)C)C(C)C)C(C)C	2248369993	FDNMJSDSIJKLRV-OAHLLOKOSA-N	241.463	4.577	0	10	BJAE	
CCC(CC)[C@H](C)NCCCCC[C@H]1C[C@H]1C	2248874646	XSYXCRBMTDBRSZ-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1coc2cc(OC(C)(C)C)ccc12	2249323954	VAYUTSAFOJZSJP-UHFFFAOYSA-N	232.323	4.734	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@]1(N)CCC1(C)C	2250476908	RHHMMEGBWZDIAG-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(C)CN[C@H]1CC(C)(C)CCC1(C)C	2251710380	BOMBMPYOPJAIRV-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H]1C(=O)C(C)(C)CCC1(C)C	2251713942	VEUMWSDBQOFGOJ-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CC1CC(CCC(=O)CC2(C(C)C)CCC2)C1	2251766149	ZRZJNSGBYFBPJW-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCCCC12CC2)C1CCC1	2253800736	BASROYNAGDAFKR-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC[C@H]1CCCCC12CC2)C1CCCC1	2253858302	VPUMNKUQZADEFZ-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C2CC(C3CC3)C2)C1	2253912018	AECVZXBTSNFPNF-SQHUISNBSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(C(=O)CC[C@@H]2CCC[C@H](C)C2)o1	2253933315	WZNWLLFGYKMLSM-STQMWFEESA-N	248.366	4.631	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](N)CC2CC3(CCCC3)C2)C1	2254077043	QMKGRGIZQHXNKY-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H](N)[C@H]1CCCCC12CCC2	2255009616	BEETYHQHNJQGFX-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@@]1(CC2=CCCCC2)CCC1(C)C	2255135032	ANSSVFRHQYCAII-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1CCC([C@@H](N)CC2=CCCCC2)CC1	2255136128	GUTWWSIKOJABFO-JCYILVPMSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@@]12CCC[C@H]1CC2	2260531338	BJXUGXIDHIUCMO-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C[C@@]12CCCC[C@@H]1CC2	2260600972	HNGRWKRZIGGBGI-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCNc1cccc(C2CCCC2)c1	2260665846	ZAODRYZMNYVRIU-UKRRQHHQSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1cccc(C2CCCC2)c1	2260732202	WEZVNCNMRADLGI-DYVFJYSZSA-N	243.394	4.945	0	10	BJAE	
CCCc1ccccc1C(=O)CCC1CC(C)C1	2261501728	OJLODXWZKCISEV-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1CC12CCCCC2	2300675105	BHENVLYBFLXNRJ-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1[C@H](C)CCC[C@@H]1CCC(CC)CC	2300682201	WSGTUYHTDZKFKH-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@H]1[C@H](O)C(C)(C)CCC1(C)C	2300864183	YCHDEAFGYXHCNN-KBPBESRZSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C1CCCCC1	2300871316	DUPFWWIVZXCUJD-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H](C)CC(C)C	2300880697	MJLSSBGRNLMRLQ-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CC(=CC[C@H]1CC[C@@H](C)C1=O)CCCC(C)C	2300892658	GWYDHCLGIVWQFZ-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
CC(=CCc1ccccc1O)CCCC(C)C	2300899185	LWBHHBUAKPYJNH-UHFFFAOYSA-N	232.367	4.707	0	10	BJAE	
CCC(C)=CCC[C@@H]1CCOc2ccccc21	2300927997	AGTMHHSIGYNKIE-CQSZACIVSA-N	230.351	4.689	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC1CCCCCC1	2301134537	ZBCJGDHXUMPNNC-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC[C@](N)(CC1CCCCCC1)C1CCCC1	2301146773	CBCQRSMXXWYDEX-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
Oc1ccc(-c2cc(C3CC3)ccc2Cl)cc1	2301332169	CCLHLBUNBRFXOU-UHFFFAOYSA-N	244.721	4.590	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1cc(F)ccc1C(C)C	2301913152	OVKOTEXVYQWWIA-SMDDNHRTSA-N	235.346	4.550	0	10	BJAE	
CCCC1CCC(O)([C@H](C)[C@H](C)C(C)C)CC1	2301965262	RFJBDMSYYFCZSM-WXLSXGNJSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCCCCC[C@@H]2O)C1	2302675892	POXHFFTVTRNRGP-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C[C@H]1CCC(C)(C)C1	2302676829	YOBBKNKDRYCGGZ-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1CCC(C)(C)C1	2302881795	BZLUREDZTZHPGZ-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCc1cscc1N[C@@H](C)c1ccc(F)cc1	2302888181	VUAVPVJGKHGLEJ-JTQLQIEISA-N	249.354	4.623	0	10	BJAE	
CCCC[C@@H](CCC[C@@H]1C[C@H]1CC)NCCC	2303591204	RSBQQOVLFZWRRG-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCC(C)=CC[C@H](N)c1cccc(C(C)C)c1	2303669956	TWZKVSBRQXUYTI-INIZCTEOSA-N	231.383	4.556	0	10	BJAE	
CCC[C@H](CC)CN(C)C1CC(CC)(CC)C1	2307763235	JWWKGGHKEOHYBH-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](CC)CC1(O)CCC2(CCC2)CC1	2307840452	FNBFBSOFIHLCIJ-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)[C@@H]1CCCCC12CCC2	2313624191	YMEIXLKTXVWAOK-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1cc(C)ccc1C	2316501775	GZMGTHTYUOMXGR-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCC(C)=CC[C@@H]1C[C@@H](C)CC[C@@H]1CNC1CC1	2316532842	SWDQGBBDXQHQJR-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316791629	OSOPUYNSBYKCND-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2C=C[C@H]1CCC2)C1CCCCC1	2317157647	QGJOTHLDZHDZIM-FMKPAKJESA-N	246.394	4.518	0	10	BJAE	
CCC[C@@](N)(CC)CC(C)(C)Cc1ccccc1	2317286467	AUGCIODLHSGKIJ-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
C[C@H]1CCCC[C@@]1(C)NCCCC1=CCCCC1	2318537370	AIBWXPHQKWXNRL-DOTOQJQBSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H]1CCC[C@@H](C)[C@@H]1CCCC1=CCCCC1	2318573872	XCRGBNRJPXLTDT-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)C[C@H]1CC1(C)C	2318589552	RKUDBLNOHATDCJ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(C(=O)CCC[C@@H]2C[C@H]2C)c1	2318930484	NOFDWVDOIKKRSH-UKRRQHHQSA-N	244.378	4.819	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H]2CCC(C)=C(C)C2)C1	2320236792	CENICBXDTRSQLL-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@H](N)[C@]1(C)C=CCCC1	2320255950	XULDDIBYXKAZRE-PNBKFKSVSA-N	249.442	4.523	0	10	BJAE	
CNC[C@@H]1CCCC[C@@H]1C[C@@H]1CCC(C)=C(C)C1	2320332847	AXZKGBXHMCAXOV-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H](C(C)C)C2CCC2)CC1	2320412512	OJZHQBSRYOVVKB-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@]23CCC[C@H]2CC3)CC1	2320425453	XAIILVIGGPLTBR-HLLBOEOZSA-N	246.394	4.662	0	10	BJAE	
CCCC1CCC(N[C@@H](CC2CC2)C2CC2)CC1	2320517736	YJKNJHPOXAMTHX-IMRCBTMISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cc(C)ccc1C(C)C	2327677027	DLZHRVZXFYFYNU-RHSMWYFYSA-N	248.410	4.978	0	10	BJAE	
CCC[C@H](C)CNc1cc(Cl)cc(Cl)c1	19232190	DLWSRXCWPFYOAI-VIFPVBQESA-N	246.181	4.842	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(F)cc1	20520073	NVZUWZKRLYFAPB-GFCCVEGCSA-N	223.335	4.597	0	10	BJAE	
CCCCCC[C@@H](C)NCc1sccc1C	34995366	VQXKPPSYZFCXSG-CYBMUJFWSA-N	239.428	4.505	0	10	BJAE	
CC(=O)c1sc2ccc(C(C)(C)C)cc2c1C	36928908	QIYVEZCMOMSNMA-UHFFFAOYSA-N	246.375	4.710	0	10	BJAE	
CCN[C@@H](c1cccc2ccccc12)C(C)(C)C	54439383	RVUPDZITCZJVPI-INIZCTEOSA-N	241.378	4.537	0	10	BJAE	
CCN[C@@H](c1cc(CC)ccc1CC)[C@H](C)CC	70440825	IYCAEHCHPHWLRI-CXAGYDPISA-N	247.426	4.508	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCCC(C)(C)C1	70683060	OIVCAOAXJNTUGL-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Sc2ccc(N)cc2C)C1	71150155	FMEBPXHLQDDLDK-TZMCWYRMSA-N	249.423	4.638	0	10	BJAE	
CCCCN[C@@H](C)Cc1ccc([C@H](C)CC)cc1	71444641	GPLHLMLGNRFNCT-CABCVRRESA-N	247.426	4.521	0	10	BJAE	
Cc1cc(C)c(NC2CCC(C)(C)CC2)c(C)c1	79627080	OQTNGYWQQUIKTM-UHFFFAOYSA-N	245.410	4.993	0	10	BJAE	
CCCCC1CCC(N)(CCC(C)C)CC1	83184974	QIAFKIXNMDUASV-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCC1CCC(N[C@@H]2CCCCC[C@@H]2C)CC1	88506303	RCRSJMZFXSZIPW-SLTXQBBLSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CO)c1ccc(C)cc1	93142576	VUPCJBKIDULWLO-WBVHZDCISA-N	248.410	4.677	0	10	BJAE	
CC1(C)CCCC[C@H]1Nc1ccc2c(c1)CCC2	94273925	ZNAIDJYXCGUHFA-MRXNPFEDSA-N	243.394	4.556	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(C(C)(C)C)cc1	97467987	PKJSYZXRKVVHCB-MRXNPFEDSA-N	247.426	4.954	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(CCC)cc1	97467988	VBJJHOPPLVFAID-INIZCTEOSA-N	233.399	4.609	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](C(C)(C)C)CCC1=O	103938806	LYKQOFIZDLLEBM-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
Cc1cc([C@@H](O)CCCC(C)C)ccc1Cl	124288800	RRCMDMJKQBFMRN-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
Cc1cscc1N[C@H](C)c1sccc1C	134328050	LSZXFFLWEQDFKH-SNVBAGLBSA-N	237.393	4.600	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C[C@@H](C)CC(C)(C)C	162460380	AFVKIXGYUPGQAF-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	164737411	HSWZUDSUBUXUJM-RBSFLKMASA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCCC(C)C)C1CCC(C)(C)CC1	165890149	YWNQZCOZYFRFHU-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1	220576919	OUCAYQOPJZTKOZ-GRDNDAEWSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@](O)(CC)CCC1CCCCC1	223305763	KSTJUDSCAZRQHR-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCCC[C@H](CCC)Nc1ccc(Cl)cn1	226063777	UKBBGBQKZDILTN-LBPRGKRZSA-N	240.778	4.506	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C1CCCCCC1	227359384	ICJWTRZRBJZADM-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1ccccc1Cl	228668404	HARGUMBFZUYEEC-SMDDNHRTSA-N	239.790	4.556	0	10	BJAE	
CC(C)C[C@H]1CCC[C@H](Nc2cccc(F)c2)C1	230765466	JTSOUKYTOCDLGI-HIFRSBDPSA-N	249.373	4.843	0	10	BJAE	
CCC[C@@H](C)C(=O)C1(c2ccccc2)CCCC1	233268493	TUELNQWITINSLF-CQSZACIVSA-N	244.378	4.504	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)C[C@H](C)CC	250834951	UDVSQMRSKAUWOL-QLFBSQMISA-N	227.436	4.760	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	300462908	CTBQLBSLSYTVND-JYAVWHMHSA-N	244.378	4.558	0	10	BJAE	
CCCC[C@H](C[C@H](C)CC(C)C)NC(C)C	300870355	HNGRIXCHOBLTAX-HUUCEWRRSA-N	227.436	4.616	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cccc(C)c2Cl)C1	300911471	RWMXQMDKSMPTIW-NEPJUHHUSA-N	237.774	4.639	0	10	BJAE	
Cc1cccc(SCCC2CCCCC2)c1N	302240236	DDKRGXWITXPKGZ-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CC(C)c1ccc(CC(=O)CCC(C)(C)C)cc1	302249463	BOXCEKPRFGAMQR-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
CCC1([C@H](CCC2CCCC2)NC)CCCC1	305932036	JYSDVEIXBQAWOA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC[C@H]1CC[C@@H]1CNC(C)(C)C	305949414	UGCGPRJTWDZARM-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CSc1c(Cl)c(C)cc2sccc12	306880487	FXURWQGWVYGVHX-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CSc1c(C)sc2cc(Cl)ccc12	307090717	PZORQUUEXUMYHP-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1cc(C)c(C)o1	308104662	IQEOSMLKQCWSIL-ZDUSSCGKSA-N	236.355	4.542	0	10	BJAE	
C[C@@H](CC(=O)CC1(C)CCC1)CC(C)(C)C	309353335	NMPUFFIILRIVBX-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CCCCF)C(CCC)CCC	310193186	ATENDHHCACIELE-HNNXBMFYSA-N	245.426	4.711	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)CCC(C)(C)C)c1	310246921	VZWCZNHVMPWQEX-GFCCVEGCSA-N	237.362	4.761	0	10	BJAE	
CCC[C@H](CNC(C)C)CC1CCC(C)CC1	310418600	NOTABAJWKZJAEE-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)COc1cccc2ccccc12	310578335	KKBXTFFWAQMYKE-CQSZACIVSA-N	242.362	4.901	0	10	BJAE	
CN[C@@H](CCCC1(C)CCCC1)c1ccccc1	311184872	BLIVINLLZSLVFK-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CNC)CCC[C@@H]1C	317430499	QFSJOHYLEWNBHU-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@]1(CCC2=CCCCC2)CCC[C@H]1C	317791976	VARKQZGUSSVMLY-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CC[C@@](CCC(C)C)(CNC(C)C)C1	318004168	YUSOBGZXKQWZIP-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC12CCCC2)C(C)C	379924226	RQMPJZGHYNAXCF-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](CC)c1cccc(C)c1	380591455	DKCQGMDCHSJQPX-WMLDXEAASA-N	247.426	4.860	0	10	BJAE	
C[C@@H](Nc1ccc2sccc2c1)C1CCC1	382280599	OOQQSPQQCUUWGK-SNVBAGLBSA-N	231.364	4.502	0	10	BJAE	
CN[C@H](C)c1ccc(C2=CCCCC2)cc1Cl	383860239	CMUBYPDTUZKZCP-LLVKDONJSA-N	249.785	4.578	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H]1C[C@H]1CC(C)C	387959373	CYPGUMJIWULULN-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1C[C@@H](C)CC[C@H]1C	391172869	MAKQSDKAKLUMRD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC([C@@](C)(O)CCC(C)(C)C)C[C@H](C)C1	393956957	GWIRHFKUYQFQKK-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
CCCOc1cc(C)ccc1NCCCC(C)C	394018458	HMHUASSLMNIUOK-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CC[C@H](NCCC1CCCCCC1)C1CCC1	394522280	BOLDJDKXIRIGMT-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(NCCC2CCCCCC2)cc1	394560009	FPODMAVMFAHHAK-UHFFFAOYSA-N	231.383	4.767	0	10	BJAE	
CC(C)CCCCCC[C@H](O)C1CCCC1	394717922	AJRGCEGMFNQXHN-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CNc1ccccc1Cl	394859560	OJSLOHRPJGRULN-NEPJUHHUSA-N	237.774	4.578	0	10	BJAE	
CC[C@@H](N[C@H](C)CC(C)(C)C)c1ccsc1	395160507	ZSVBTAZLFVZPKY-DGCLKSJQSA-N	239.428	4.614	0	10	BJAE	
CCc1cc(C(F)(F)F)cc2cc(F)sc12	396298657	NDYGUILZZGDDIL-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC(C)C(C(=O)CCC(C)(C)C1CC1)C(C)C	405906689	VUOHQZDUVGZEGP-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
Cc1cccc2c1ccn2CCCC1CCC1	688856595	BFHUUFIMKYFMMU-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
C[C@@H](CC1CCCC1)NCCC1(C)CCCC1	689802889	ALLHPBMAFMQOBV-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CNc1cccc(C2CC2)c1	690091494	BPTNPZJCBJUTAR-CJNGLKHVSA-N	243.394	4.802	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H]1CC[C@H](C)C1	690189915	UXFAYSCYHZBNMX-BLLLJJGKSA-N	245.410	4.720	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)CC(C)(C)CC	696266854	MBFQXMFQMYZNML-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1(CC)CCCC1	696635463	RNIGHHUQMGQDRL-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCC(C)(C)CC)CC1	696678948	PLWZNMJNIXHHLK-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C1CC2(CCC2)C1	697842332	IANYBBFBLXFUMN-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C1CC(C)(C)C1	701458878	OERPXYVUQCHWAX-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(C)cc1Cl	704499936	GFNSNVXEQHAZDF-NSHDSACASA-N	238.758	4.657	0	10	BJAE	
CCC[C@@](N)(c1cccc(C(C)C)c1)C(C)(C)C	704936396	AYQUNQCSODJLDD-QGZVFWFLSA-N	247.426	4.810	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CC(C)(C)C)C1CC1	709107853	ZEVJKYWVZCBIQH-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](CO)C1CCCCC1)CC(C)(C)C	709118454	OUVGJYVLQGGOQH-HIFRSBDPSA-N	240.431	4.638	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@](C)(N)CCC(C)(C)C	709171978	ZKFWCDNWABAXPT-XJKSGUPXSA-N	241.463	4.993	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C12CCC(CC1)CC2	710100218	LBAILMVZFBASNP-CGZBRXJRSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@H](C[C@H](C)C(C)(C)C)C(C)(C)C	711172511	KPFWERGYQOKOCV-KBPBESRZSA-N	241.463	4.721	0	10	BJAE	
Cc1cc(N[C@H]2CC(C)(C)CC[C@H]2C)ccc1F	713068508	VXLUXWOPALKVSB-ABAIWWIYSA-N	249.373	4.761	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CC(C)(C)C(C)C	713217542	MBLGMELXOTVSIA-ZDUSSCGKSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H](C)[C@H](C(=O)CC(C)(C)C)c1ccccc1	713305467	WCUADZZUCGWENN-CJNGLKHVSA-N	246.394	4.822	0	10	BJAE	
CC[C@@H](C(=O)CC(C)(C)CC)c1ccccc1	713331506	NKLZBZHWAXQQJQ-CQSZACIVSA-N	232.367	4.576	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)C(C)(CC)CC	713734296	KLMNGEFVOSTEHU-WOLCWHLNSA-N	237.431	4.703	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCCCC1(C)C	718989459	NAQKWPMAYLVTPE-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCCC1(C)CC1	720952246	HMMWKUBMHUYUOB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(N)c(-c2c(C)sc(C)c2C)cc1C	722497542	AJBXUPHFFFBURT-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(O)CCCC2(CC2)C1	723553402	ICLJGJNYVHHBFU-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC3(CC3)C2)cc1C	723568290	IUBCJKQKYLOBJR-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(C)c(OC)c1	821908541	CGIHLXLMLZRKEE-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CCC[C@@H](C)N(C)[C@@H](C)c1ccccc1Cl	1257324183	KCYFQOULNFUDMC-NEPJUHHUSA-N	239.790	4.521	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC1CCC2(CCC2)CC1	1621346329	VMMWIYLCZWGCDB-OAHLLOKOSA-N	249.442	4.824	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@H]2CCC3(CC3)C2)C1	1876380365	PFIPIKFHUITEBR-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CCC(=CC1CCC(C)CC1)CNC(C)(C)C	1880338019	UQOUPJNFLPTCTL-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCC[C@H](CC)CC(F)F	1885365736	ZKWSBGAVAMHFRN-TZNOJPMFSA-N	204.304	4.804	0	10	BJAE	
CCCC(CCC)[C@H](N)CC[C@@]12CCC[C@@H]1C2	1908435702	ZIESDDLLAUKQIH-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CC(=C[C@@H](C)CC(C)(C)C)C[C@@H]1CCCCN1	1911978089	XZAMQQFHORKKGI-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC=C1CCC[C@@H]1[C@@H]1CCCCN1	1912033118	FDAKKVRRGQFTRO-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CCC=Cc1ccccc1)NCC	1912042613	YQCZNOCEHVTNDX-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1N[C@@H]1CCC2(CCCC2)C1	1916439865	BPARFNAHTJWGSV-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CC[C@@H]2C[C@H]2C1	1917330675	VTPPIMXEIWIYGJ-HZSPNIEDSA-N	243.394	4.585	0	10	BJAE	
CC[C@@](O)(c1ccc(C)cc1)[C@@H](C)CCC(C)C	1919892605	IEUHHSWETZNQSZ-RDJZCZTQSA-N	248.410	4.665	0	10	BJAE	
CCCC1CC(C(=O)c2ccc(C(C)C)cc2)C1	1921278560	KSMWFMFGJSGCCP-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC[C@H]1CC1(C)C	1921469669	MGIXSQUYTQRSER-HNNXBMFYSA-N	246.394	4.933	0	10	BJAE	
FC(F)c1cccc(C[C@@H]2C=CCCCC2)c1	1925868990	DRRAINBCZUNVDS-GFCCVEGCSA-N	236.305	4.913	0	10	BJAE	
CCC(CC)C[C@H](N)CC1C[C@@H](C)C[C@H](C)C1	1926376817	VENLPOLZVQUOTM-XEZPLFJOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C(=O)[C@@H](C)CCC(C)C)C(C)C	1937171684	TXKBTKBEFQCFJR-UONOGXRCSA-N	226.404	4.700	0	10	BJAE	
CCCN[C@@H](CCC1(C)CCCCC1)C1CC1	1940417242	VYAUEEKSYJEXRS-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
c1cc(N[C@@H]2C[C@@H]3CCC[C@@H]32)c2sccc2c1	1940418777	XQTYWSOAYGXSJU-SGMGOOAPSA-N	243.375	4.502	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CC[C@H]1CC1(C)C	1940854991	BUPGKAJKSYGAHF-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CCCC2(C)CC2)C1	1940871182	AIBMDBWOQMHKQS-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2C[C@H]3CCCC[C@H]32)n1	1941709297	LIJHKPMKCTWEIQ-UMSGYPCISA-N	249.423	4.950	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@H](C)CCC(C)C)CC1	1942658068	OTCQDEMDSQSICN-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CC1CCCCC1)[C@@H](C)CCC(C)C	1942659471	JSVYRDODPAHMDT-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@](C)(N)CC1C[C@@H](C)C[C@H](C)C1	1944202113	HOZXKADOLNXUPV-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(=O)CC1CCC(C)(C)CC1)C1CC1	1944594660	VMBDLUYVYRFBCZ-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC1(CC(=O)C(C)(C)C2CCCC2)CCCC1	1944635819	URANNIFHADCHAH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C(C)(C)C(C)C	1944668425	NKONKNBELDOGAY-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@H]1CCC[C@H]1C	1944818774	HHESXJKFSVAEHY-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
C[C@H](CNCCC1(C)CCCCC1)C(C)(C)C	1945433062	WMWFEESKTHWRGW-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC(C)(C)C1)C(C)(C)CC	1945590162	CAKRNUSLLXEGTF-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cccc(CC)c1	1947468790	ZSHKNMFXJKOJHH-ZBFHGGJFSA-N	231.383	4.630	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@H]1C=CCCC1)C(C)(C)C	1947576230	MKXXUUUMMWJCLY-RRFJBIMHSA-N	238.415	4.556	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)NCC1CCCCCC1	1948326418	JEZZXNMDUVVPTK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCCC[C@@H]1C(C)(C)C	1949087914	JXYUTYOMVGUQOW-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@H]2CCC(C)(C)C2)CC1	1949400353	VDLBXZMUKQYEMW-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]([C@]2(N)CCCCCC2(C)C)C1	1949401785	GENQBPZZJRGDNZ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)CCCC2(C)CC2)CC1	1950910482	GYIMMMPTGJPIHL-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)CNCc1cccc(C(C)C)c1	1964072642	FXJWGNPJOXHXAC-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](C)NC1CCC(CC)(CC)CC1	1968898484	CGGMLWVCNHHGKX-ZDUSSCGKSA-N	225.420	4.514	0	10	BJAE	
Cc1cccc(O[C@@H]2CCC3(CCCC3)C2)c1F	1969257360	KAXSOMOQMJMODF-CYBMUJFWSA-N	248.341	4.626	0	10	BJAE	
CCCCC1CC(N[C@H](C)[C@]23CCCC[C@@H]2C3)C1	1973100484	RLPQNBQFFHYQCP-OHYMQKJLSA-N	249.442	4.514	0	10	BJAE	
CCCCCCC(=O)CC1(CCC)CCC1	1988433283	QBWJYGATSLTFRJ-UHFFFAOYSA-N	224.388	4.886	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1(C(C)C)CCC1	1989448819	NHKCXTZAEKSEER-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(C)=C(C)C[C@H]1CCCCCCCC1=O	1989651506	IRDNRJCHUMVXTH-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCCC1CC1	1995259874	QMGQXQAKTMYJOC-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
Cc1cscc1-c1nc(C2CCCC2)cs1	1995499125	YMXGUPLZSDGNRY-UHFFFAOYSA-N	249.404	4.838	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@](C)(N)C1(C)CCCCC1	1995985402	JGSAFOAROJWXCL-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](NC1CCCC1)C1CCC(C)(C)CC1	1996594506	NDGOSBCCEARORO-OAHLLOKOSA-N	237.431	4.514	0	10	BJAE	
C[C@H](N[C@H](C)CCC(C)(C)C)C1CC(C)(C)C1	1998647319	BGAPLGSYCZWFLI-OLZOCXBDSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)C[C@H](NC)C1(C)CCCCCC1	2000333629	ALFMILUMJVZTQG-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@](C)(N)[C@H]1CCCC(C)(C)C1	2003015599	OGVWXLDBKJEDOZ-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CCCCCC[C@H]2O)C1	2003101446	WUQYAZUBRIDEDK-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@]1(C)C=CCCC1	2003319966	DOLOKSRJQNSBTF-ARFHVFGLSA-N	238.415	4.700	0	10	BJAE	
CCC1(NCC2(C)CC(C)(C)C2)CCCCC1	2003413933	CADZXQGCJYSYJI-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCC[C@H](O)c1ccc(C)cc1	2003624690	ARSSWXLGOSDAKK-HNNXBMFYSA-N	234.383	4.635	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@H](CCCC(C)C)C1	2006628725	COONRMGHEZAFRK-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H](C)C(C)(F)F)cc1	2009079598	XIGPNRJQLCJSEZ-GHMZBOCLSA-N	241.325	4.656	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CCC[C@H](CC)CC1	2009570619	AWVYVUWZRJRGQD-ZTDBIZBLSA-N	236.399	4.908	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H](C)C(C)(C)C	2009630894	YHQDPLUWUKDFPM-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CCCCCC1CC(Nc2ccccc2C)C1	2009716324	RKYJSSKXQGCYON-UHFFFAOYSA-N	231.383	4.766	0	10	BJAE	
C=C=CC[C@H](C[C@H](CC)CCCC)NCCC	2009750559	WLYLASYAGQPACG-HZPDHXFCSA-N	237.431	4.692	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)C1=CC[C@H](C)CC1	2010622637	LXWDDAUMHOMLIE-OFQRWUPVSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](NCC)C1=CCC(C)(C)CC1	2010726734	RLFPIYPYEGLHPZ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CC=C(C[C@H](NC)c2cccs2)CC1	2010762921	KAJYCXKSEJWNFD-OCCSQVGLSA-N	249.423	4.535	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1C[C@@H](N)CC(C)(C)C1	2012064776	VKDNVHNVUVJAJG-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CCC[C@H](C)CC1	2013264624	OJQYHGIBRBBGPJ-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C)c1ccccc1	2013266444	GTJPVXIOCHBXEU-HOCLYGCPSA-N	233.399	4.552	0	10	BJAE	
CCCCC(C)(C)NCCC1CCCCCC1	2013532325	DTGZDHUSXFDRKY-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
Cc1c(F)cc(N[C@@H](C)CC(C)(C)C)cc1F	2013718241	OLKOAKHQAFPBQB-VIFPVBQESA-N	241.325	4.510	0	10	BJAE	
CC[C@@H](C)[C@@H](NC)c1sc2ccccc2c1C	2014290873	JGXFEAIDODZWBC-QMTHXVAHSA-N	247.407	4.516	0	10	BJAE	
CC(C)C(C[C@@H](O)CC1CCCCC1)C(C)C	2015285586	XUQGNRSYSGDMOQ-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC=C1CCCCC[C@@H]1N)C(C)C	2015338190	HQTSSEZBVHDDPH-INIZCTEOSA-N	237.431	4.523	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@@H](C)C(C)C	2015396642	FRMYQESOYUELNF-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H](C)C[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2015410854	DWBMADSTAAHEDN-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CCCC1(Cn2ccc3ccccc32)CCC1	2015589145	OYGVQPLOXGONGH-UHFFFAOYSA-N	227.351	4.612	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](NC)[C@H](C)CC)CC1	2017724159	MHGRRYDZMNWIFT-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)NCC1(F)CCCCC1	2018129553	DDMOKOQRFWWHNH-AWEZNQCLSA-N	243.410	4.607	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2018133543	FSMRMCYNUOFTSL-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCCC1(Cn2ccc3cccc(Cl)c32)CC1	2018922850	XRWLZUTXKGZFCV-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCCC1(CC2(CN)CCC(C)(C)CC2)CC1	2018973710	JBDPXLLYQCTNII-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCC1(C[C@@H](N)C2(C)CCC(C)CC2)CC1	2018994374	BDQLMSMWIHIGDS-SHARSMKWSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](NCC)C2(CCC)CC2)CC1	2018996627	UZSLIHJXUCHZLE-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCN1CCCC12CCCC2	2019344699	QJYXKTVFEBNZFJ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC[C@H](C)CN(CCC)C1CCCCCC1	2020502169	RAQUDTMPZSXEHD-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1ccccc1C1CCC1	2021027059	NUBWKKZZUPEPAF-STQMWFEESA-N	231.383	4.801	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CC1)C1(C)CCC1	2021028842	XYUSKYAQAFMGEM-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CCN(C[C@@H](C)C(C)(C)C)[C@@H]1CCCC1(C)C	2022054142	MHQPTABDINGJCE-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)C(=O)[C@H]1C[C@H]1C1CCCCCC1	2022418032	SKIXQYZGFUNAKT-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)CC=C(C)C)CC1	2023318468	GYCOXSFYDNGDSL-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](C)[C@@H](C)C[C@@H]1CCCC(C)(C)C1	2024100504	CYDHDZYLTFVSCW-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@]2(N)CC[C@H](C(C)C)C2)CCC1	2025622586	VRJNCVXMZBITPL-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CC1CC(C)C1)NC	2026170320	OSCHELSQSWDNRN-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NCC)c1cccc(C2(C)CC2)c1	2028553124	VZRPVGZEYYPKDK-INIZCTEOSA-N	245.410	4.579	0	10	BJAE	
CCN[C@H](c1ccc(C2CC2)cc1)[C@H](C)C(C)C	2028591406	SNZWYPCHLYZROA-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CC(C)(C(=O)c2ccc(C3CC3)cc2)C1	2029108889	SKRYOKCQNQKNFM-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
C1CCC(CCNC[C@]23CCCC[C@@H]2CCC3)C1	2031788310	HUUXRSUXKRLQGS-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CC1(NC[C@H]2CC3CCC2CC3)CCCCCC1	2033416027	ZDNUCPBRGDSMIM-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](CCc2cc3ccccc3cn2)CCC1	2035562225	ZVRZNSQPPDZJHY-CQSZACIVSA-N	237.346	4.524	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)C1(C)CCCC1	2035576923	UGDOXOSJAQVLAN-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@H](C)[C@@H](C)CC(C)C)c1	2036385785	WGGBAAGOHORGAL-ARFHVFGLSA-N	247.426	4.716	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)C1CC(C)(CC)C1	2036479849	GRAGHKQCCHHGAA-SOEBMCCKSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c([C@](C)(N)CCCC(C)C)c(C)c1	2037093537	IULJMUBBHCJWIO-QGZVFWFLSA-N	247.426	4.612	0	10	BJAE	
CC(C)CCC[C@@H](N)c1ccc(CC(C)C)cc1	2037093748	PSZYNDUMGJVGKH-QGZVFWFLSA-N	247.426	4.711	0	10	BJAE	
CCC1(C[C@]2(N)C[C@H](C)CCC2=C(C)C)CCC1	2037104518	OVUPSXIJAYHXET-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C)c([C@H](N)C[C@@H](C)CC(C)C)cc1C	2037105882	UDAJPVPUQFYHDE-YVEFUNNKSA-N	247.426	4.684	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@H]1CCCC1CCC1	2037222789	CESZSGMYMGPDOF-ZFWWWQNUSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CCC(N)([C@H]2CCC3(CCCC3)C2)CC1	2037587088	RVICARYUIZALRE-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@H](O)[C@H]2CCC[C@@H](C)CC2)c(C)c1	2039359981	ORKTULBUWCIWDQ-ISTRZQFTSA-N	246.394	4.553	0	10	BJAE	
CN([C@H]1CCC(C)(C)C1)[C@@H]1CCCC2(CCC2)C1	2041291869	CNZYRCFJIFBBQW-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@@H]2CCCC3(CC3)C2)CC1	2041378054	ABVLRBIIPBRORJ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CC(C)(C)C1)[C@@]1(C)CC=CCC1	2042024757	OVSMNFFVVSRCIL-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@@H]2CCC=CCCC2)CC1	2045318598	WTXXCSSOSZZIDU-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)[C@H]1CC[C@H](C)C1	2045324675	XXGRKGGOANTFCR-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](N2CC=C(C(C)(C)C)CC2)C1	2045516388	JXVSKTOSJIOYOB-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CCC[C@H]1C)c1ccccc1	2045558130	ANEKPHQZVXFAHX-IIAWOOMASA-N	244.378	4.576	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1	2045682201	JGLLQZSCZKPTRJ-RBRCJPGISA-N	248.410	4.620	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047439079	XJBDSBHNNQSSIF-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCCc1ccc2c(c1)CCC(C)(C)O2	2047742261	AGOHJKRHKWRZOX-UHFFFAOYSA-N	244.378	4.689	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@@H]2CCC23CCC3)C1	2047940994	ZDQVFKACYRQQTH-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@]1(CNC(C)C)CCC12CCC2	2047944340	XULSNJCIBSVWFT-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC([C@@H](C)NCCC2CC=CC2)CC1	2049419710	DSZPWGRCXRNYQL-HPUBIQBYSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CC2CCC3(CC2)CC3)C1	2049947020	CICRLDACOWVTHR-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@H]1CCCC2(CC2)C1	2049949392	YWKKRQMOKJIRSR-HUUCEWRRSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H]([C@@H]1CC[C@@H](C)C1)[C@]1(C)C=CCCC1	2050008018	GSPWYVOSITYTFE-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCC=CCC1)c1ccc(F)cc1	2050495639	WFTXABZLUAXRGF-UHFFFAOYSA-N	246.325	4.535	0	10	BJAE	
CCCN(C[C@H]1CC12CCCCC2)C1CCCC1	2050740384	FFYOGFLHICICBX-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C1CCC(N2CCCC3(CCCCC3)CC2)CC1	2051607253	VLXZCFPZHMQERK-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CC1([C@@H](N)c2ccccc2F)CCCCCCC1	2052474706	CSKVKAPHJBQLBC-HNNXBMFYSA-N	249.373	4.576	0	10	BJAE	
CC1(CC(=O)[C@H]2CCCCC23CCC3)CCCC1	2053360792	RKHNHBBPJNUTMC-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@H]1CCCCC12CC2	2053412253	NZHLJNPBWRPOFI-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](C=C2CCCCC2)NC)C1	2056875017	BXTJEOWYOZXSDP-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@](N)(CC)c1ccc(CC)cc1	2059203539	LIPXOBCDSYTATE-PFWMLDTASA-N	245.410	4.559	0	10	BJAE	
CC=CCCCN1CCC[C@H](C2CCCCC2)C1	2059207054	LKFNZBGKTXXOBL-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1CCCC12CC2	2059255949	LKPVBYDJAOCLNB-CFSAUIFESA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@H](N)C2=CC[C@@H](C(C)(C)C)CC2)C1	2061093488	YBLBVDHOTNMSFF-BVUBDWEXSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H]2CCCC[C@H]2CC)CC1	2061116217	NVVINRJAODQEHI-SRABZTEZSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)C[C@@]12CCC[C@@H]1C2	2061616023	IFXHETXIBWOIRZ-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC=C=CCCN[C@@H]1CCCCC12CCCCC2	2067325543	KFRGOKRYFHZUNV-SLGIGSDESA-N	247.426	4.590	0	10	BJAE	
CC(C)C(Cn1ccc2c(F)cccc21)C(C)C	2068982312	SYDWXBLSZCBWMY-UHFFFAOYSA-N	247.357	4.709	0	10	BJAE	
CCC1CCC([C@](C)(N)C[C@@]23CCC[C@H]2C3)CC1	2070925813	JPMUVFHQRFISNQ-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)C(=O)C1CC(c2ccccc2)C1	2071406699	IEBWVEMXSLWNTB-IUDNXUCKSA-N	244.378	4.576	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CC)C[C@@H]1C=CCCC1	2071511069	MDGGZBGTWISEEB-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1(C(C)C)CCC1)[C@@]1(C)CC=CCC1	2071942566	FSYNNRDRUCUIEK-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CCC23CCC3)CC1	2072807047	RIBHQTALNWMSKY-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCCC[C@H]2CN)CC1	2072810211	UOZOQVCJLMBURX-ZOBUZTSGSA-N	249.442	4.668	0	10	BJAE	
CCCC1CCC(CN(C)[C@H]2CC=CCC2)CC1	2075294160	QVKPUDIKRLFHTQ-JCYILVPMSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2CCC3(CCCC3)C2)C1=O	2076440870	VPFUWSQORUXZSP-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1ccc(CC)cc1	2077191147	ZNPLZRYHCMUICT-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)C[C@H]2CC[C@H]1C21CC1	2078341359	YHMVDHKHZGMENU-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@H]2C2CC2)CCCCCCC1	2079310519	FQNZEKLYZLWBJR-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H]1CCCNC12CCCCC2	2083815642	IIULJALXILMENK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CCCCC1CC1	2211122431	VSFSLHNOGNNWDM-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCCC1([C@@H](O)CCCCCCC2CC2)CC1	2213580550	ZSALQLMFRAGNGS-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
Cc1csc(C(=O)C[C@@H]2CC23CCCC3)c1C	2213648188	NTUIRWQLUJBPTC-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CC(=O)c1ccc(SCCCCC2CC2)cc1	2214571593	XBQRCHJVLUZENV-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)CCC1CCC1	2214577776	HMJJARBLHZYLFH-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@H]1CC[C@H]1C	2214951805	PTEBLLONBQYJML-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@H]1CC[C@H](CC)CC1	2215345627	LACFYKZOODZOAH-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C(=O)CC2(C)CC(C)(C)C2)CCC1	2215439211	DVYNFKCVLZYYJD-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)C[C@@H](CN[C@H](C)CC)C1CCCC1	2217127281	HCKCEOBEBQLXQR-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)CCCC(C)(F)F	2217153690	NQDLADHIJAPHAZ-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1C[C@@H]2CCC[C@@H]2C1	2218729246	YGVSEWJBURFDNB-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CC=Cc1ccccc1	2219067324	SWJNOVPITSIKNE-IRXDYDNUSA-N	246.394	4.523	0	10	BJAE	
CC(C)c1cc(NCC(C)(C)C(C)(C)C)ccn1	2220884443	BOLUBXLTIKJKQM-UHFFFAOYSA-N	248.414	4.689	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1ccnc(C(C)C)c1	2220886126	UECZSOYEGQCDAV-CQSZACIVSA-N	248.414	4.832	0	10	BJAE	
CC1(C[C@@H](N)C2(C)CCCCC2)CC2(CCC2)C1	2221021858	AWSLTCXDBQWKSA-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC2(C)CC3(CCC3)C2)C1	2221037738	DYHKVOGJCUULSN-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCCC1(CN(C)C[C@@]2(C)CC=CCC2)CCC1	2221609456	JUEWKLQSWYIURU-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
C[C@@H](N[C@@H]1CCC[C@H](C(C)(C)C)C1)c1ccco1	2222254935	DLPHPRXXZJQVLR-HZSPNIEDSA-N	249.398	4.535	0	10	BJAE	
CCC1CC(N)(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2222970148	AXIYIFDXIYHKNV-IZTSSTLKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)CNc1cccc(SC)c1	2244799469	BQYYUYRZAOJALG-GFCCVEGCSA-N	237.412	4.647	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCC[C@H]1C[C@H]1C	2247167000	RGKAUZRFICPNDF-VNQPRFMTSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC[C@H]1CCCC12CC2	2247620731	VMHYQDAJCJPZHF-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)[C@@H](NC)c1cc(C)c2sccc2c1	2248578991	PDICACWJGLUTOR-QMTHXVAHSA-N	247.407	4.516	0	10	BJAE	
CCC[C@@H](CC)CNC[C@H]1CCCCC1(C)C	2250380506	HFUPUGCJVKDWNK-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@H](N)CC[C@H](C)CCCC(C)C	2250479214	RFORYVNCZJCERH-HUUCEWRRSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](CO)C(C)(C)C	2250517165	BDCDKGPCQHWDQZ-HUUCEWRRSA-N	242.447	4.884	0	10	BJAE	
CCN[C@@H](CC)CCC1CC(CC(C)(C)C)C1	2251607790	IKNFYRJMHJFCPF-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1[C@@H](CC(CC)CC)CCC1(C)C	2251711242	HQKKEZYEYKTZEG-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC1(C)CC(C)C1)[C@]1(C)CC=C(C)CC1	2253769887	FQXQNFSJESIATI-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](CC=C2CCC[C@H](CCN)C2)C1	2253934034	FMKBDFLOZJQJJZ-BFYDXBDKSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNc2ccc(CF)cc2)C1	2253971135	UAAUGAHETXGKCF-KGLIPLIRSA-N	249.373	4.784	0	10	BJAE	
C[C@H]1CCCCCCN1CC1CC2(CCCC2)C1	2254110988	YIWWPSUMIZJFNF-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@H](C[C@@H]2CCCC23CC3)NC)CC1	2255239165	CIOVWTPYOOUDLG-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1NC1C[C@H](C)C[C@@H](C)C1	2256115043	LVFKPKIFUPMBPC-VXGBXAGGSA-N	249.373	4.625	0	10	BJAE	
C[C@@H](NCC1(C)CCCCCC1)[C@@H]1CC12CCC2	2256441758	DEHLUGWYKKWSJF-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)C(=O)Cc1ccc(C(C)C)cc1	2259448586	RNMLOJRBLQGNBU-HNNXBMFYSA-N	246.394	4.748	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@]12CCC[C@@H]1CC2	2260488145	NTHLPYFFKSHUAF-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](C[C@]12CCC[C@@H]1CC2)C1CCCCCCC1	2260583578	PKWRGLSQOSCXIH-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@]12CCC[C@H]1CC2	2260587842	PEVQXKXZNKZIQD-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C[C@@]12CCCC[C@@H]1CC2	2260608015	SIKMJYSWDCTJIR-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@]23CCC[C@H]2CC3)CC1	2260619213	IZPMKSBGJMUZKD-JKQORVJESA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)CC1CC(C=Cc2ccc(N)cc2)C1	2261296624	UFMTZONUZOBBSV-UHFFFAOYSA-N	243.394	4.744	0	10	BJAE	
CC1CC(CC[C@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2261493822	SXQHECOVIVHYCT-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CCCCC[C@@H]1C[C@H]1C	2298507117	YDLCZQKXMJCJKJ-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H](C1CC1)C(C)(C)C	2298838711	IPNVHBOVTUSHPE-ZFWWWQNUSA-N	239.447	4.616	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)[C@@H](C)CC1CCC1	2298861784	OMTDBOPADRGPFN-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@H](CC)CC(C)C	2300686067	MCNAFENXCPZNEW-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC[C@H](N)C12CCC(CC1)CC2	2300690711	LRGIVUWKSHJMFR-PCKAHOCUSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@]1(C(C)C)CCCCCN1	2300703048	ANPAHFWWXKRAHH-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(=CCNC[C@@H](C)C(C)C)CCCC(C)C	2300870930	ZOASHRDDWWFWKE-MRXNPFEDSA-N	239.447	4.641	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301051731	YRNANHPICLOSQF-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCCCN1CCCC1=CCCCC1	2302350971	CKTZSDBCXYJLDV-OAHLLOKOSA-N	235.415	4.532	0	10	BJAE	
CCC1([C@H](O)C[C@H]2CCC(C)(C)C2)CCCC1	2302897295	YRVSCMQPGVWBGT-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(N)(C[C@@H]2CCC(C)(C)C2)CC1	2302902224	NRNVIVHWQZFNBK-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1(C)CCCCCC1	2307816591	GOLOAYOCQWNZCC-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](NCC)c1ccco1	2307897928	GCNGTRDKNSHZFX-ZIAGYGMSSA-N	237.387	4.537	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CC)[C@]1(C)C=CCCC1	2309424728	YXGFYQALRURPKE-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
N[C@H]1CCCC[C@H]1C[C@@H]1C[C@H]1C1CCCCCC1	2311571967	UWWPFEKGBFWXFR-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCCCCN1C[C@@]12CCCC[C@@H]1CC2	2313339180	GLWFDJRCSCYQAJ-BBWFWOEESA-N	249.442	4.611	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1C[C@@H]1C1CCCCCC1	2316508589	KWJHHAYUDWVBQB-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)c1ccccc1C	2316508598	LAIWOMHJLRPWKW-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C1CC(=C2CC2)C1	2316509157	GXKFTUPQAQAKIH-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C12CCCC1CCC2	2316536069	KILNTUVXALZEJZ-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]21	2316884263	KUUXAEBZLORFPB-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H](C)Nc1cc(C)c(O)c(C)c1	2318428583	PPOKNZZGVZOFLX-AWEZNQCLSA-N	249.398	4.780	0	10	BJAE	
CC[C@@]1(C)CCCN(CCCC2=CCCCC2)C1	2318576315	NVZVOAIWVBJDKO-KRWDZBQOSA-N	249.442	4.779	0	10	BJAE	
CCc1cc([C@H](O)CCCCC2CC2)ccc1C	2318871212	BMRQKLFAACEIIU-QGZVFWFLSA-N	246.394	4.561	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cc(F)ccc1C1CC1	2319170081	YJTZWVURRFNZKK-NSHDSACASA-N	248.341	4.712	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1CC[C@@H]1C1CC1	2319491667	DTNNQPUERPQSNW-NVXWUHKLSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H](O)CC[C@H](c1ccccc1)C1CCCC1	2319670538	UHBZUBXAMQJMEG-IAGOWNOFSA-N	246.394	4.512	0	10	BJAE	
CCC1CC(CC(=O)CC[C@H]2CC[C@H]2C2CC2)C1	2319691039	WYYPNAYMDVOXOG-ITMHDFIRSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(NC[C@@H]2CC[C@H]2C(C)(C)C)c1C	2320253228	DLBKMGOPVYJESO-LSDHHAIUSA-N	245.410	4.788	0	10	BJAE	
CC1=C(C)C[C@@H](NCC2CCC(C)(C)CC2)CC1	2320363504	HBGABDKAXQEXOF-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CC[C@@H](N)c2ccccc2)CC1	2320395454	WLFGWLJLWIWKOM-NVXWUHKLSA-N	243.394	4.603	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CC23CCCC3)CC1	2320410201	BPRVZTIEAQCQHN-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
CC(=CC=C1CCN[C@@H](C)[C@H]1C)CCCC(C)C	2321308253	KPCBSCIBURCTAE-CVEARBPZSA-N	249.442	4.703	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)CC2=CCCCC2)C1	2321639183	IPALAALUZACWDP-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)C[C@@H](C)C2CC2)c1	2327657505	MVRDHWRDWILSJE-CYBMUJFWSA-N	244.378	4.737	0	10	BJAE	
CCC[C@H](CC)CN(C)Cc1ccc(CC)cc1	2328270278	XRAPAGOFXQFZIM-INIZCTEOSA-N	247.426	4.507	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1ccc(CC(C)C)cc1	35459704	OIONKAYEZNGZHC-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
CCCCC[C@@H](NCCC(C)C)c1ccccc1	37199848	YWLOPAFOWOMOFU-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
CC[C@H](Nc1ccc2ccccc2c1)C(C)C	37276985	ANYOXLHEZMLGRM-INIZCTEOSA-N	227.351	4.686	0	10	BJAE	
CC[C@H](Nc1cccc(Cl)c1C)c1ccco1	54082578	ZCWFOEACUHTURC-LBPRGKRZSA-N	249.741	4.805	0	10	BJAE	
CCCC[C@H](CC)N[C@H](c1ccccc1)C1CC1	69374561	PCACWDRAZLICIH-DLBZAZTESA-N	245.410	4.696	0	10	BJAE	
C[C@@H](C[C@H](O)c1ccc(Cl)s1)C(C)(C)C	82628620	GQYOOOZUUORMJY-IUCAKERBSA-N	246.803	4.507	0	10	BJAE	
CCC[C@@H](C)Nc1c(Cl)cccc1Cl	83847729	NGZRARGVDQJFBO-MRVPVSSYSA-N	232.154	4.594	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCC[C@@H](C)CC1	86889483	VTZJFNZZCFUZEQ-YPMHNXCESA-N	235.346	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1sccc1Cl	87621319	KSXWNGDQUYNBJM-MWLCHTKSSA-N	245.819	4.618	0	10	BJAE	
CCC[C@@H](C)[C@H](N)c1ccc(C(C)(C)CC)cc1	90482936	RJHXGLKADRWLOJ-CJNGLKHVSA-N	247.426	4.810	0	10	BJAE	
CCCC[C@@H](CNCC(C)C)c1ccc(C)cc1	93138185	YJGIDLIIVSYMCS-KRWDZBQOSA-N	247.426	4.514	0	10	BJAE	
CCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1NCC	109666396	MVCXWXHQDPHCSE-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C1CCCCC1	110257993	AETGGIXKTIRWTI-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CSc1ccccc1NCCC1CCCCC1	125046737	LDIKMCKTOCEMEC-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
Cc1ccc(N)cc1-c1ccc(C2CCC2)cc1	133383848	YLTOGMCEGROJPZ-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCc1coc2ccc(-c3ccccc3)cc12	137949256	SYDMZVIAKIFGQD-UHFFFAOYSA-N	222.287	4.662	0	10	BJAE	
CC(C)(C)c1ccc2[nH]cc(C(C)(C)C)c2c1	144896107	BQZUNPPGMCFXTC-UHFFFAOYSA-N	229.367	4.763	0	10	BJAE	
N#CC1(C/C=C\c2ccccc2)CCCCC1	149118923	JFPQOYXJZPRPBY-YFHOEESVSA-N	225.335	4.564	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C1CCCCCC1	149209803	MMTVKEXDPNNWQU-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1(C)CCCC1	158510175	KTVIKDSPCHTWAR-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC(C)CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	165494112	QMKISAKBEAUDRT-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](O)c1ccc(C(C)C)cc1	165601471	JEJRQJONNSARSB-MRXNPFEDSA-N	234.383	4.670	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@H](CC2CCCCC2)C1	203170134	BIHORUNQPKPFGV-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(C)CC[C@@H](NCC)C1	226172757	MKKUXNMMYCKDKJ-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](N)c1cc(C)c(Cl)s1	226662669	FIHCILJAOLGJCE-JTQLQIEISA-N	245.819	4.680	0	10	BJAE	
CCCN[C@H](c1cccc(CC)c1)[C@H](C)C(C)C	228848643	WDFQAEOTFDLKRE-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CCCCCCc1c[nH]c2ccc(C)cc12	232943365	ATNSTRNXEXJUMN-UHFFFAOYSA-N	215.340	4.599	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)C2(C)CCCCC2)C1	234086979	AEZXWKDKJRRMJT-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](C)(CCCC(C)(C)C)CNCC	300968487	ZMDSNSXSDOSJPV-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCOc1cc2c(Cl)csc2cc1Cl	306637240	FKKDDRBAJVZPQD-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCc1csc2c(Cl)cc(Cl)cc12	306901810	OZYULGQMNIPWTB-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
Cc1nc2c(C)csc2c(Cl)c1C(C)C	307001507	HYDQAWOENPGIOV-UHFFFAOYSA-N	239.771	4.690	0	10	BJAE	
CCc1ccc(C(=O)C(C)(C)C(C)(C)C)s1	309541368	YKTSROHKLSIDCX-UHFFFAOYSA-N	238.396	4.566	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](O)CCC2CCCC2)C1	310449481	VGLHTKIIJKCKOW-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCCNc1snc2ccccc12	313455347	BWRABURCPDWEDW-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(O)CCCCC12CCCC2	319059581	WTDHUFZSHKHWSP-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)Cc1ccccc1	384155252	PDUBURXTCUUIKE-WBVHZDCISA-N	248.410	4.587	0	10	BJAE	
CCC[C@H](N[C@H](C)CC(C)(C)C)c1ccccc1	384871817	IOFPYHNNVGDERO-ZBFHGGJFSA-N	247.426	4.942	0	10	BJAE	
Clc1cccc(NCCC2=CCCCC2)c1	384926290	GJLZYVOMZSPLCV-UHFFFAOYSA-N	235.758	4.642	0	10	BJAE	
C[C@H](C[C@@H](O)CCC1=CCCCC1)C(C)(C)C	386331973	VROIPBSVLARDFE-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NC2CC(C)(C)C2)cc1	395202934	HKDOOTRJKGWBMO-CYBMUJFWSA-N	245.410	4.649	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1Nc1ccsc1Cl	395636779	HYWPNHQQGGVRPJ-PSASIEDQSA-N	243.803	4.638	0	10	BJAE	
CCC[C@H](N[C@H](C)c1ccccc1)[C@H]1CC1(C)C	397597666	KUFAWCVJPGNJMZ-BMFZPTHFSA-N	245.410	4.552	0	10	BJAE	
CCc1cc(N[C@@H](CC)[C@H]2CC2(C)C)ccc1C	397650442	IPNTVHJVXLQHKI-CVEARBPZSA-N	245.410	4.794	0	10	BJAE	
CCN[C@H](c1ccccc1CC)[C@@H](C)C(C)(C)C	399110712	LEAVJQNYKPZDQO-CJNGLKHVSA-N	247.426	4.582	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C[C@H]1CC=CCC1	402196467	BXPQOZPAFXGXOP-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H](CCCC2CC2)Nc2ccccc21	406088424	BERGDQUPLXEIJE-JSGCOSHPSA-N	229.367	4.555	0	10	BJAE	
CC1(C)CCC([C@@H](O)CCCC2CCC2)CC1	688354295	UUOKXARYLUSXEZ-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCc1cc(N[C@@H]2CCCCC[C@@H]2C)ccc1F	691107425	XEIGKOYWCNGGNW-BLLLJJGKSA-N	249.373	4.769	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NC1CCCCCC1	691181702	BEQTVDXUJSMLJB-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C1CCC1)CC(C)(C)CC	696246555	CBTBIOLTBTUDOO-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCNc1ccc(Cl)cc1Cl	697771102	HBEYZOLEYKELKR-UHFFFAOYSA-N	244.165	4.762	0	10	BJAE	
CCC(CC)CC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	699054075	WDRJUIPABJGYMY-MLGOLLRUSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCCC12CCCCC2	701048283	DITJHPFOLYVLIK-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1cccc(C(C)(C)C)c1	701136989	WULKRLFVQWAPAL-OAHLLOKOSA-N	247.426	4.681	0	10	BJAE	
CC1CCC(C2(N)CCC(C3CCC3)CC2)CC1	704464457	GAPRWFSHEIBIDL-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CC1CCCCCC1	704993624	LEZJEBRKRBUECZ-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H](C)CC(C)C	708268356	AZVQYVSEVJMNCH-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@@H](O)[C@H]1CCCC1(C)C)CC(C)(C)C	709129461	UANVGERFYUGXFG-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccc(C3CC3)cc2)C1	709683726	KINVDCJZBHAUJV-LRDDRELGSA-N	229.367	4.555	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@]12CCCC[C@H]1C2	710546042	UVDJXUCDHPLORZ-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(NC2CCC(C3CCC3)CC2)cs1	710759040	MCBZPARELHRCSD-UHFFFAOYSA-N	249.423	4.827	0	10	BJAE	
CC[C@H](C[C@H](N)CCC(C)(C)C)C(C)(C)C	711108532	WHDGBIPMNWESAM-CHWSQXEVSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@H]1CC=CCC1)C(C)(C)C	711208974	AKSFHQZJMMPPNG-RRFJBIMHSA-N	238.415	4.556	0	10	BJAE	
CC(C)c1ccc(OC[C@H](C)C(C)(C)C)cc1	711248595	MQDJMBPGGZMFMC-ZDUSSCGKSA-N	234.383	4.871	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCC[C@H](C(C)C)CC1	713170234	SCSBKJLCHITEAJ-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC(C)(C)C(C)C)NC(C)C	713185184	QQDGYKMPZHQMDI-AWEZNQCLSA-N	227.436	4.616	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC(C)(C)CC	713236362	VNIPBQPIDZJWSV-ZIAGYGMSSA-N	227.436	4.602	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC(C)(C)C(C)C)C1	713303771	CIXHNMMTENFEAU-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@H]1NC1CCC=CCC1	718051403	HELFAABJRORHAL-HOTGVXAUSA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H](C)CC(C)C	718504774	FPUUAWSNWQEQOV-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C[C@@H](C)CC(C)(C)C	718606633	SYNKMMWVPOOYRQ-HIFRSBDPSA-N	240.431	4.946	0	10	BJAE	
CC(C)=C(C)CCc1c(F)ccc(C)c1F	718787845	PDRIZNKIHJINEU-UHFFFAOYSA-N	224.294	4.562	0	10	BJAE	
CNC[C@@]1(CCC(C)(C)C)CCC=CCCC1	718996353	HNTSIXCNAJNXJU-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H]1CCNC12CCCCC2	721070100	DOOUPEYHHBOTMO-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2CC2(C)C)cc1	722896822	NBWBABNWYUAUNW-GXTWGEPZSA-N	232.367	4.625	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCCC2(CC2)C1	723603568	MTCSZOCSVZXWCL-CYBMUJFWSA-N	249.785	4.783	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C1CCCCC1)C1CC1	724013321	ZLAQWQMGAAIXKN-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCNC[C@H]1CCCC(C)(C)C1	1200671975	KYUYQKUCXNJCKE-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C\CCN(c1ccccc1)C1CCCC1	1307538704	FKUQEXWXXPQACK-ARJAWSKDSA-N	241.378	4.568	0	10	BJAE	
C=C/C=C\CCOc1ccc(Cl)cc1Cl	1559327383	BALLZAXUDHHEBH-ARJAWSKDSA-N	243.133	4.505	0	10	BJAE	
CCC(CC)Nc1ccccc1[C@@H](C)CC	1857847668	IEGQSXAKGFHTSQ-LBPRGKRZSA-N	219.372	4.801	0	10	BJAE	
CC(C)C[C@H](C)N1CC(C)(C)Cc2ccccc21	1875654782	RKMYUXYJAOKDPF-AWEZNQCLSA-N	245.410	4.510	0	10	BJAE	
CCN[C@H](CCC(CC)CC)c1ccsc1	1900695594	DXZVCKJNLBWUAA-CQSZACIVSA-N	239.428	4.615	0	10	BJAE	
CCCCC[C@H](CCC(CC)CC)NCC	1900698464	VCZWXXUTUNTWIL-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
Cc1ccsc1-c1nc(CC2CCC2)cs1	1901910179	VNHUYHHUJZBFMP-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
CCc1cscc1N[C@@H](C)CCC(C)(C)C	1902391471	UODXGOMMSOWODF-NSHDSACASA-N	239.428	4.937	0	10	BJAE	
CCc1cscc1N[C@@H](C)[C@H](C)CC(C)C	1902391623	VXVISNBSNDLAOV-NEPJUHHUSA-N	239.428	4.793	0	10	BJAE	
CCCC[C@@H](CC)CC=CCCNCC(C)C	1905733216	QAYNSBHOUXSFFE-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CC1(C)C[C@@H]1C[C@@H]1CCCCCCCCC1=O	1913380656	MYJHMTBBHMCSBR-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
O[C@H]1CCCCCCCC[C@H]1CCCC(F)F	1913592720	AKMMCADKMQCHLP-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC1(C)CC([C@]2(CNC(C)(C)C)C=CCCC2)C1	1916595052	BKWYHOMNSXVIEF-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
O=C1[C@H]2CCCC[C@@H]2C[C@H]1C[C@@H]1C=CCCCC1	1925764415	ZCUVUELOFFHHPA-FPCVCCKLSA-N	246.394	4.518	0	10	BJAE	
CCC[C@H](NCCC(CC)CC)C1CCCC1	1926181976	GSUTUXGEEGMPHO-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)Oc1ccccc1Cl	1928730287	IEARPLAEPWSOGL-NSHDSACASA-N	226.747	4.544	0	10	BJAE	
Cc1cc(N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)cs1	1935907776	GHXNFSNGTUFWJN-BGOOENEXSA-N	237.412	4.539	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@H](CC(C)C)C(C)C	1941267558	UDRZSCBUDRZOBR-CVEARBPZSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NCC)C1=CCCCC1	1941269425	QONKETWUQOEHMQ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CNCC(C)C)[C@@H](C)CCC(C)C	1942658840	QIAVEOGIHPFIDL-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CC(=CCCNCC(C)C)[C@@H](C)CCC(C)C	1942661151	VQXRCEYCFXGLAF-INIZCTEOSA-N	239.447	4.641	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H]1CCC[C@H]1C	1944831115	JFAIFOMTYPUPAF-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)CC(C)(C)F)cc1	1947079926	ZIFOSZBACYHRHO-LLVKDONJSA-N	236.330	4.521	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC(CC)(CC)CC	1947468335	YRUNYJCXSIJFFI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCC1)CC(C)(C)CC	1947584334	FVYXZGSNPJIBSD-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(F)(F)CC[C@@](C)(O)CC1CCCCC1	1947886531	HVKTXVUQNXMWDU-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)CCCCC12CCC2	1947914456	TVJGMGDNOACZJD-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CC([C@@H](O)CC2(C)CCCCC2)C1	1948408987	KTESDHMVCBJTTF-SLTAFYQDSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C(=O)[C@H]1CCC2(CCCC2)C1)C(C)(C)C	1949498251	VGWCIWXNHWSVPY-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(NC[C@@H]2CCC(C)(C)C2)c1C	1968254814	MTPHBHPKOKWDPB-CQSZACIVSA-N	231.383	4.542	0	10	BJAE	
Cc1cccc(C)c1NCC1CC(C(C)(C)C)C1	1968351723	MMEWRNJGUUGWKE-UHFFFAOYSA-N	245.410	4.788	0	10	BJAE	
CCC1(CC)CCN([C@H]2CCC3(CCCC3)C2)C1	1969505480	KOCSKMBOKIKPBJ-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@@H](CN2CCC23CCCCC3)C1	1969770083	UYXKGHVRTDUVLK-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCC1CCC([C@H](C)NC[C@H](C)CC)CC1	1969981018	LJYDFBVMYUTCMX-QVOMUQBLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](NC[C@H](CC)C(C)C)c1ccc(C)cc1	1973382985	AXOUEGFUUITGDJ-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CC(C)=CCC(=O)C1(CC(C)C)CCCC1	1980976915	FATJQGBOCOTTAV-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CC(C)(CCC1CC(=C2CCC2)C1)C(F)F	1985534338	IALOCEMRNUFBFL-UHFFFAOYSA-N	228.326	4.948	0	10	BJAE	
CCCCC[C@@H](C[C@@H](C)C(C)C)NCCC	1988221982	UXXKFEXPIHQUJE-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Cc1cc(F)c(Cl)cc1N[C@@H](C)CC(C)C	1995047770	KBECJOLRHKMBBV-JTQLQIEISA-N	243.753	4.634	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCC(C)(F)F	1995214176	JTMKOGURXXTKSU-LLVKDONJSA-N	234.330	4.597	0	10	BJAE	
CCCCCC[C@H](O)CC[C@H](C)CCCC	1995254046	NHXUYEXAQMYZOP-CABCVRRESA-N	228.420	4.924	0	10	BJAE	
CCc1coc2c1cc(Cl)c1ccccc12	1995452706	LCBDMZHROSJCKL-UHFFFAOYSA-N	230.694	4.802	0	10	BJAE	
CC(C)c1cccc2c(C(C)(C)C)coc12	1995463270	HTLPIZXDJUGSML-UHFFFAOYSA-N	216.324	4.854	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@](C)(O)CC2CCCCC2)C1	1996250561	QDOCNGUITSVLIZ-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@H](C)[C@H](C)CC)CC1	1997116319	JVEFRASPQRPWCT-DGXTUMSLSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CCC1CCC1)CC1(C)CCC1	1998030620	SNVIKBCYLXVNBM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](O)C2(C)CCCCC2)C1	2000040391	DFWNUDNAYZBXQV-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)[C@@H]1CCCC(C)(C)C1	2000161802	HWMOIGSNOXUWRF-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNCC)[C@H]1CCCC[C@H]1CC	2000511729	GTNKBLWYJBSNKQ-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@]1(C)CCCC1(F)F	2002591552	SNYQBLDAOYIFBM-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](O)CCCC2(C)CC2)C1	2002984910	PUGRZBJWPOKTRV-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(O)CCCC(C)(C)C)C1	2002999342	SIWVCCCAZRVQDK-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1CC[C@H](C)CC1	2003102474	CPIDENIRPKXNBG-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C[C@H]2CCCCCCC2=O)CC1	2003116366	IHXDDLYBWFOHBQ-YMAMQOFZSA-N	236.399	4.742	0	10	BJAE	
CC(C)(CCC(=O)[C@]1(C)C=CCCC1)C1CC1	2003333586	FCIQYUUKAGFISJ-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
N[C@@H](C=C1CCCCC1)CC1CCCCCC1	2007936059	AFYWJLRYJUEKTJ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCN[C@@H]1CC[C@H](CCC(C)=C(C)C)[C@H]1CC	2009230918	RYFNNSCOPZXYPE-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1CC1(C)C)NCCC	2009626321	DSXWWBURXRCXCV-IPKOWEFYSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1CC[C@H](C)C1	2009634075	DITRGGHWZDHHJL-QPSJONLNSA-N	237.431	4.537	0	10	BJAE	
C=C=CC[C@@H](C[C@H](CC)CCCC)NCCC	2009750557	WLYLASYAGQPACG-CVEARBPZSA-N	237.431	4.692	0	10	BJAE	
CCCN[C@@H](C(C)(C)CCF)C(C)(CC)CC	2016766487	SIQPNHJXXUWAKX-ZDUSSCGKSA-N	245.426	4.567	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1(C(C)C)CCC1	2017147939	IUWNMQQYFXZVGV-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)CC(C)=C(C)C	2017461270	HTKBDLOWAFHCLR-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CC(C)=C(C)CN[C@H](C)C1CCC(C)(C)CC1	2017468145	DOBMMDRFOBLAKJ-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)C1CCCCCCC1	2017486400	KDKNSJVOKBATPU-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)CNC[C@H]1CC[C@H](C)CC1	2017652272	FBCWDMBZNOXGJR-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC2(CC)CCC2)CC1	2017721196	JXSVOLJNMDWSJX-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)C[C@H]1CC[C@H](C)CC1	2017721863	CGHTXFKEFGFSDR-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@@H](C)C(C)C)CC1	2017722740	HHMYGRYFLQUKGT-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(C[C@H](NCC)C(C)C)CC1	2017723152	JDASUUYTNZQMBC-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC[C@@H](N)C2)CC1	2017736449	YCFWEMXISTUYKS-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@H]2C[C@H](C)CCC2=O)CC1	2017775935	IPCDBWZOPRUIAF-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C(=O)C[C@]23CCCC[C@@H]2C3)sc1C	2018619724	PUSIDRACJJGJQA-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCNC2(CCCCC2)C1	2018644367	BWETWTXPWQIOSK-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCCC[C@@H]2CC)CC1	2018957654	RHPJAEZFINMLOJ-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@]2(CN)CCC[C@H](CC)C2)CC1	2018974225	KIEWAVYGGBCXSX-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CC[C@H](C)N(CC)Cc1ccc2sccc2c1	2019411562	STTWFXNLHRRZHH-LBPRGKRZSA-N	247.407	4.522	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C)C(C)(C)CC)CC1	2019476708	BCBXHZVLAPUHEK-SHTZXODSSA-N	239.447	4.713	0	10	BJAE	
CCCCN(C1CCCC1)[C@@H]1CCCC[C@@H]1C	2020535659	KLOHELZOLXKSJT-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2022990279	DBJOXMNGPASQTO-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CCCCCC2CC2)C1	2024122625	FWKRIFNIBSRSBX-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
Cc1cccc(C(=O)[C@@]2(C)C=CCCC2)c1Cl	2024360991	LMZSAXUAVSTOIX-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
CC(C)C(CCC(=O)CC1(F)CCC1)C(C)C	2025212824	VZPKEHGLFRDFAZ-UHFFFAOYSA-N	242.378	4.546	0	10	BJAE	
CCC1CC(CC(=O)CC2(C)CCCCC2)C1	2025436639	XHKLAPQMZBYLMB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@@H]1CC[C@](O)(CCC2CCCCC2)C1	2025571154	OUAZFEYRRAPYQE-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H](C)C1CCC1	2026075174	SVBQQWCGPUBXQL-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1ccc(F)cc1	2026083116	XWJBBMQSYKOBSH-GFCCVEGCSA-N	236.330	4.615	0	10	BJAE	
Cc1ccc(C(=O)CC2(C)CCCCC2)c(F)c1	2027298306	XGZNYFJFCJSMPO-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)c1cocc1C	2027823643	XFVROTPYDCPSHP-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCCc1ccccc1[C@H](NC)[C@@H](CC)C(C)C	2028250925	BNGOZZDNHYOUQI-DOTOQJQBSA-N	247.426	4.582	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NC)c1ccccc1CC	2028251739	JACKFKMHJLSFCG-DOTOQJQBSA-N	247.426	4.582	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccccc1C1(C)CC1	2028549808	PYPMOIBYJPLVGU-BBRMVZONSA-N	246.394	4.598	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1ccccc1C1CC1	2029839542	ZWKJLTAEUBXAMG-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@@H]1CC(C)(C)CC2(CC2)C1	2030287715	JVLSSGYWAFCJPF-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCNC[C@@]12CCCC[C@@H]1CCC2	2031804406	KGSUVUVXJZPUOT-SJORKVTESA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NC[C@]12CCCC[C@H]1CCC2	2031808211	JYLQXIYVEJEAED-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@]1(CCC1CCC1)CNC1CC1	2032112823	UHHYXYHZPKDYAS-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@H]32)c(F)c1	2034259475	BSQFBXBTWKYMCV-UMVBOHGHSA-N	247.357	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1Nc1ccc(C2CC2)cc1	2035415705	ONVAUDHSFREQLO-IAGOWNOFSA-N	243.394	4.801	0	10	BJAE	
CCCC1([C@@H](N)c2ccccc2C2CC2)CCC1	2037204192	SYLAUATVPSTPHZ-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
C[C@H]1CC([C@@H](N)C[C@H]2C=CCCCC2)C[C@H](C)C1	2037270825	VHOBSOGSXFFELE-AIANPOQGSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)(C)C1)c1ccccc1	2038132537	DJYHKIGZDKRNRG-ZBFHGGJFSA-N	245.410	4.554	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@H]1CC12CCCCC2	2038996453	KYWIRCGVNNQESI-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
C[C@H](N[C@@]1(C)CCCCC1(C)C)c1ccccc1	2041830219	DUKIWKFJGHDZLA-YOEHRIQHSA-N	245.410	4.696	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@]2(C)CC=CCC2)c1	2042072013	LVUQBYHEDFPVGM-IRXDYDNUSA-N	244.378	4.590	0	10	BJAE	
CC(C)(C)C1CC(C(=O)CCC2=CCCCC2)C1	2043009579	QGWDBRFVTXRTAZ-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CN[C@@H](CC1CCC(C)(C)CC1)[C@H]1C=CCCC1	2043189363	ALDAIVWENOLUGK-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H](C)CC2=CCCCC2)C1	2043190602	KDVADRGESVBWIR-INMHGKMJSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)C[C@@H]2CCC=CCCC2)C1	2045314577	LOZSLUZKIFGSRL-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@]1(C)C[C@H]1C	2045329476	OJSNYPNEFDVUEE-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCCN(C[C@@H](C)CC(C)C)c1ccccc1	2046577519	QACDBWSJXPKCIH-INIZCTEOSA-N	247.426	4.975	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@H]2CC23CCCCC3)[C@H](C)C1	2047057786	DAWGWUJAHSSYKB-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(C[C@H]2CC23CCCCC3)C1	2047060201	VTBDIPSQRHCVNX-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@@H]2CCC23CCC3)CC1	2047933162	RLUDUYBXYJNWPB-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1[C@H]2CCCCC[C@H]21	2048366827	UGYICPBCWMDDNZ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	2048469338	WFFVGNKPKPQCEU-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@H]1CC12CCCCC2	2048874000	HOGVIHZUAMSDHS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@H]2CC23CCCC3)C1	2049496251	RZJMVLNQXKKASA-HOCLYGCPSA-N	249.442	4.502	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCC2(CC2)C1)CC1CCCC1	2049852386	HGWUNDIXCOZWPX-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C1CC1)[C@@]1(C)C=CCC1	2049999022	AQGRBMGAYTYMBR-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(CC2(N)C3CCCC2CCC3)CC1	2050012328	OXXCSFNNJDJXJH-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](O)CCCC2=CCCCC2)cc1	2050429533	KDJRFKBJEFTJKC-QGZVFWFLSA-N	244.378	4.699	0	10	BJAE	
CCCC(CCC)CNc1ccc(OC)c(C)c1	2052172161	GSYJDRBCJQKIMN-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
C1CCCC(CN[C@@H]2CCC[C@@H]3CC[C@H]32)CCC1	2052307814	JPIBCSZLFAXGIU-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCCCC12CC2	2053309068	TUWPOIUIMKYBEL-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CC(C)=CC[C@]1(CNCC(C)C)CCCC12CC2	2053354463	FCXHEWNUEOOMMG-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CCCC[C@@H]1F	2055260282	CZNXLQSJVRPXBV-CABCVRRESA-N	248.341	4.521	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC=C1C)c1ccc(C)cc1	2055667926	ABNYTUJOZSQETL-SJORKVTESA-N	243.394	4.535	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1CCCCC[C@@H]1C(C)C	2055672522	UJGGYCOOEZSUHY-IXDOHACOSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)C[C@H]2CC=CCC2)CC1	2056556387	HSWYWPVSOYZDLC-GJZGRUSLSA-N	249.442	4.667	0	10	BJAE	
CCC1CC(CC2(N)C[C@H]3CCCCC[C@@H]3C2)C1	2056641288	XZOOFRXIOLQWQA-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC1CC(C2CCC2)C1	2056665459	CYFHOYXYCVMOJS-OGVSOVDVSA-N	248.410	4.742	0	10	BJAE	
CC=C(C)[C@H](NCCC)c1c(C)cc(C)cc1C	2056780545	CBBQBUHEMUMNDC-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
C/C=C/C[C@]1(CNC(C)(C)C)CCCC12CCC2	2057059877	HXICVRNLPLSBML-FUTAKVPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCN1CC[C@]12CCCC(C)(C)C2	2058161874	ZWCRCPYQGNXYKS-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@]3(C(C)C)C[C@H]23)cc1C	2058562033	IYICHGFBLNTGNE-ZACQAIPSSA-N	243.394	4.540	0	10	BJAE	
CCc1cc(C(F)F)cc(C(F)(F)F)c1C	2060359363	HUDLDNITDUQMCW-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC1(C)CC=C([C@H](N)[C@H]2CCCCC2(C)C)CC1	2061094670	HYCIGHCZRTUSFO-CABCVRRESA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC2CC(=C3CC3)C2)CC1	2061691644	RPHWEXLGMVZNEY-CXAGYDPISA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1CC(=C2CCC2)C1)C(C)(C)C(C)C	2061730236	GDUFDKZZRKEKFH-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCCC23CC3)c(F)c1	2062016884	KQYDGSJJPUHSAB-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CCCC1CC(C(=O)CC2C[C@@H]3CCC[C@H]3C2)C1	2063418597	JBILLARAXXJSCI-ZTTSNEECSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(N)(CC2C[C@H]3CCC[C@@H]3C2)CC1	2063488714	CQVHFSLCAJMDRA-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCCNCC1(CC23CCC(CC2)C3)CCCC1	2065335695	RTRHVAWMKMDYSW-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)CC12CCC(CC1)C2	2065338957	WPCLVWIEYNFDDA-DXCHVLGVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@]3(C)C[C@H]23)CC1	2065664115	LVPCPXMYVKKVMV-ZHCJQAHYSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc2c(c1)N[C@@](CC)(CCC(C)C)O2	2065996425	XJPSNPWNDSETEG-MRXNPFEDSA-N	247.382	4.596	0	10	BJAE	
CC(C)(C)C1(CN[C@H]2CC23CCCCC3)CCC1	2071945607	IJYONYQLTJXMGB-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C(=O)CC1CC2(C1)CC21CC1)C(C)C	2072235313	XRGXXALDXLJZTR-UUCFBXCCSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2072428492	GGRLPOIOGOIPFI-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC[C@H]2CC=CCC2)CC1	2072682172	RPGJINIPLVRSMI-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCN[C@@H]2C(C)C)CC1	2072813313	SRINSXBLCIAIGB-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@]1(CC)Nc2cc(C)cc(C)c2O1	2073349606	DSJWEKAQJVYRBO-INIZCTEOSA-N	247.382	4.794	0	10	BJAE	
CCCN[C@@H](CCC1(CCC)CC1)c1ccco1	2074639158	LMHABSOSFUMTKN-AWEZNQCLSA-N	249.398	4.681	0	10	BJAE	
CCC1CCC(N2CCC3(CCCC3)CC2)CC1	2074861522	DNAZGDKYWNUPHS-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H]1[C@H](C2=CCCCC2)CCCC1(C)C	2076402002	QDLJDHKPGIDBIU-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2C[C@H]2C2CCC2)C1	2079329701	TVTOXKLRYIYAET-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1COc1cc(C(C)C)ccc1C	2079811270	PARPUPZBJKVYIY-HZPDHXFCSA-N	246.394	4.933	0	10	BJAE	
CC(C)[C@H]1C[C@H]1COc1cccc2ccccc12	2079816645	ZIGZXIQWKSYXQN-GOEBONIOSA-N	240.346	4.511	0	10	BJAE	
CN([C@@H]1C=CCC1)[C@@H]1CCCCC12CCCCC2	2081808597	IGXOSYHLBLGHKL-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCCC(C)(C)C2)c(C)o1	2082981031	AASGQDRVEZWHBZ-ZDUSSCGKSA-N	248.366	4.686	0	10	BJAE	
CC1(C)CC(C=C2CCC[C@@H](N)C2)CC(C)(C)C1	2082985539	HSDKYGSUBTUDJO-OAHLLOKOSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@]23C=C[C@@H](CC2)C3)C1	2082989360	ZKVRIJWQPLHFCV-ZQIUZPCESA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H]1C[C@H](C2(C)CC2)C12CCCCCC2	2083322414	HPJRQJZTDXSYMM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1cc(C)cc(C)c1	2086044184	LQNLLXLKBKSVGV-CXAGYDPISA-N	248.410	4.943	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1C[C@H]2CCC[C@H]1C2	2086213175	YQLCTNOZEZDAEN-DMRKSPOLSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC(=O)CCCCCCC1CC1	2210526688	IBBSNXLQXGVKIT-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
F[C@H]1CCCC[C@H]1C/C=C/c1ccccc1	2210666673	HLHBNKHEWQIERQ-AOEIMKSNSA-N	218.315	4.618	0	10	BJAE	
CC[C@@H](CCN)CCCCCCCC1CC1	2212465024	YFRWBWPBQVDRIE-CQSZACIVSA-N	225.420	4.502	0	10	BJAE	
CCCCCC(CC)(CC)CNC1CCC1	2212577305	VWJDMIIHXBJRPI-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@](O)(CC)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213273897	WVKGZXSFPLNBTR-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H](CCCCCCC2CC2)N1	2213576414	PLXWIJLDPCZBSA-HOTGVXAUSA-N	237.431	4.658	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CCCCC2CC2)CC1	2214572510	DVHPQTDSKMYCEZ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H](O)CC1(C)CC(C)(C)C1)C(C)(C)C	2215394890	UUOFFUWLJLOMAZ-CHWSQXEVSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)[C@](C)(O)CCCCCCCC1CC1	2216902339	QTZMJNMEKBTLBR-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)C1(CN[C@H](C)CC)CCC=CCC1	2217156321	KEMABRHPUGQVAL-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1NCCC1=CCCCCCC1CC1	2218720945	NJHZOSAFSVUHSD-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
O=C(CCCCCCC1CC1)C[C@@H]1CC[C@@H]2C[C@H]12	2218733099	UBGFHGUCJGIUBH-ZMSDIMECSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC/C=C/c1ccccc1)C(C)C	2219095579	OIZBWFJFVIIJKC-JZUUQJBKSA-N	245.410	4.504	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@@H]1CCC12CCC2	2220043567	APPUEYFFGGWTEQ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	2220874570	IGNVJHYKQSNNDX-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)c1cc(C)cc(C)c1C	2220965313	ZBPWLELHNRAKPI-CABCVRRESA-N	244.378	4.621	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)CC2CC3(CCC3)C2)C1	2221027381	GAAUEWBBGLVERH-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](N)CC2(C)CC3(CCC3)C2)CCC1	2221027940	LDVYOBSUASEHTP-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1C[C@H]2C[C@H](CN2)C1	2223130198	KFYWTBLAJILTHM-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C1CCCC([C@@H](CNC2CCC2)C2CCC2)CC1	2223563498	GRIFSRICAFPTRR-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CCCC2)CC=C(C)CC1	2223590948	BBTDQBGALVWSIX-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](N)CC[C@@H](C)CCCC(C)C	2244838299	UFFWDKCWUQKFNB-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1CC2(CCCC2)C1	2246809440	ULRCDBKSRWDXRN-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CC1(C)CC(C)C1	2253653917	HDXSWZDOHPMGPV-DXCHVLGVSA-N	249.442	4.667	0	10	BJAE	
CC1CC(C)(C[C@]2(CNC(C)C)CC=CCC2)C1	2253660552	DGJZCDGAXRUESE-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC[C@@H]2CCCCC23CC3)N1	2253853555	KEXDZYROCHNSGN-XHSDSOJGSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2(CNC3CCC3)CC2)C1	2253911738	UXOJUOJDCOECGU-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@](N)(CC2CC3(CCCC3)C2)C1(C)C	2254108354	OTQPCMITPVYXOR-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CCCC[C@@H]1C[C@H]1C	2254607406	IEZXGGAWDQKOCF-OAGGEKHMSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@@H]1CCC12CCC2	2255022421	GKALAHUSYWWWAV-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CC2=CCCCC2)CC1	2255047661	CSPYEADVAJEGPB-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CN(CC1=CCCCC1)[C@@H]1CCCCCC12CC2	2255090850	DQRZONKXVNHTEA-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC2=CCCCC2)CC(C)(C)C1	2255138052	SPSLDMUEBSOEBV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C1(C)C(C)(C)C1(C)C	2255141224	QOMBVLOZEMHWKR-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc([C@@H](N)CCCC2(C)CC2)cc1	2256292854	BBUSGGCRXVJLPQ-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNCCC1=CCCCC1	2257337369	FIAXJMKHEBYGNR-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CCCCc1ccc([C@H](N)[C@H](CC)CCC)cc1	2259431637	VVGRUGLICQBLOM-NVXWUHKLSA-N	247.426	4.855	0	10	BJAE	
c1cc(C2CC2)ccc1NC[C@]12CCC[C@@H]1CC2	2260577013	BYONBQQJUGXKJO-NVXWUHKLSA-N	241.378	4.556	0	10	BJAE	
CC[C@@H](C)C[C@H](O)c1cccc(C2CCCC2)c1	2260662260	IODNTXSQTRMHBU-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC[C@H]2C[C@H]2CC)C1	2298134901	OCTMMLLXROYSHI-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCC12CCCC2	2300682449	ZBYKWALEERQCNY-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCC[C@@H](CC)CC1	2300689919	CRJFOVZRWPWAEN-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCC[C@@H](C(C)C)C1	2300700702	NSKVVHDCXBSXFZ-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CCN(C)C1CC(C(C)(C)C)C1	2300704542	SLHJDSUCBMZUOO-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C1(CC)CCC1	2300870377	TYNYIUMCLOBYTL-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC1(C)C[C@@H](N)C[C@H](CC2CCCCCC2)C1	2301143075	PTVOTHGQOJRYPY-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC1CC(C(=O)CC2CCCCCC2)C1	2301145498	ORENXJCQRYOWRQ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C[C@H](C)[C@H](C)C(C)C)NCCC	2301833810	ULMUFSLCUOLOPK-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc2cc(CCCC(C)C)ccc2n1	2302228307	CQQRBNHJHDOATA-UHFFFAOYSA-N	227.351	4.522	0	10	BJAE	
CCC(CC)[C@H](C)NCCCC1=CCCCC1	2302344530	HFKJYSAIJUQUMF-AWEZNQCLSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H]2CCC[C@@H]2N)CC1	2302504276	OYHOBOMIQCMBRA-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCCC1CC1)CCCC(C)(C)C	2302574572	OSLNFZHUEBORBN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CCCC(F)F)CC1	2303601430	FFMAGKFWVQQNBH-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)C1(CC(C)C)CC1	2307819593	NPSYFEUZCGJIIX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309184965	OXHIJYWSOCLHJH-QUSNUVHPSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](O)c1ccc([C@H](C)CC)cc1	2311503440	UFFYHQATUIKBIH-BASLNEPJSA-N	246.394	4.670	0	10	BJAE	
CN[C@@H](CCC[C@@H]1C[C@@H]1C)[C@]1(C)CC=C(C)CC1	2312521578	YPEUJJQYAFTLQC-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312903393	PTECORFHPBQWCF-MTERUZRBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CC1)[C@]1(N)CCCCC12CCCCC2	2313600458	QURPCZRMHGSPOH-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1	2313601059	VVAHRVJEFQXVDI-DAXOMENPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](O)(c1ccc(C)c(CC)c1)C(C)(C)C	2314636079	KUULHYDBJXMVCQ-KRWDZBQOSA-N	248.410	4.591	0	10	BJAE	
CC(=CCN[C@H](C)C1CCC(C)(C)CC1)C1CC1	2315267279	XVIQMYKQJWGJPW-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCc1ccc2c(c1)CC[C@@H](C)N2	2316266062	HTXXEUFRADQXDF-CYBMUJFWSA-N	245.410	4.802	0	10	BJAE	
CC(=CCC1=C[C@H](N)C[C@@H](C)C1)CCCC(C)C	2316506374	NKUACCRJGAYHDM-DOTOQJQBSA-N	249.442	4.833	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)c1ccccc1F	2316507885	GMQFDXKMAWXSKC-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CCC(C)=CCN(C)CC[C@H]1CCCCC12CC2	2316521205	WBWUYDJDDHAPJQ-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317143354	NVHMEOSHDMMQQI-FPCVCCKLSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](O)c1ccccc1C1CC1	2317821466	VVCXWGVPENIJRB-DCGLDWPTSA-N	246.394	4.526	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CCCC2(CC2)C1	2318551643	QYBIHLXJVUOAQN-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)CCC1CCC1	2318588327	YTABSGBIKFVKRW-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
O=C(CCCCC1CC1)CC1CCC2(CC1)CC2	2318873236	GHLYJRZRODZZNC-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@H]1CC12CCCCC2	2318881937	XZDHGJHGSJYYDA-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C[C@@H]1CCC=CCCC1	2318929467	SCSXFLTUGRKNJT-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H](CNCC(C)(C)C2=CCCC2)C1	2319025340	WXXWGEGZVDCKCZ-CQSZACIVSA-N	249.442	4.539	0	10	BJAE	
CCCC1(C[C@@H]2C[C@@H]3CCCC[C@@H]3CN2)CCC1	2319875420	LQHBCVIPFITLDW-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)CC1	2320424657	SJIOWLVAPQBPBZ-DZUCGIPZSA-N	249.442	4.536	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCC[C@@H]3CC[C@H]32)C1	2321637780	VDKLBRCRJSFMGD-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@](C)(O)CCC2CC2)c1	2327704566	VWCPDXBCKZNCSQ-KRWDZBQOSA-N	246.394	4.516	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CC[C@@H](C)[C@H](C)N2)c1	2327786371	IXRJRVFTYCVGIN-KEYYUXOJSA-N	245.410	4.568	0	10	BJAE	
CCCCCNc1ccc(Cl)c(Cl)c1	20557268	JKEKFPSBEBYGRE-UHFFFAOYSA-N	232.154	4.596	0	10	BJAE	
CCCCCCN[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	20565228	VWGCDZLYXPUMPG-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)Nc1ccc(C)c(C)c1	21812103	BHSDHCJCHNGLER-UHFFFAOYSA-N	219.372	4.684	0	10	BJAE	
CCC[C@@H](C)N[C@@H](C)CC(C)(C)c1ccccc1	37189469	KGTSXAHOZPDFFW-CABCVRRESA-N	247.426	4.521	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)c1	68610929	DFGOSCPMCONTSN-DUVNUKRYSA-N	231.383	4.540	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1C)[C@H](C)C(C)C	70123538	JUFOMQQYAVBICV-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H](C)C1CCCC1	71085538	SOJMYMJDRXJJSF-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CCC[C@H](CC)C2)cc1	71154553	WVTMUGPECNHXNM-HOCLYGCPSA-N	244.378	4.648	0	10	BJAE	
CCCCCCC(CC)(CC)CNC1CC1	82441845	LUEOUEVTKNNTOX-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC)[C@@H](C)NCC	84676025	UGJVSOGHCCUUFH-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCC[C@H](C)C2)c(C)c1	89586084	OXTSNOFOEGGYHL-SWLSCSKDSA-N	231.383	4.542	0	10	BJAE	
CCCCC[C@H](CNCCC)c1ccc(C)cc1	93139282	RPFMUKJWSYAYLR-QGZVFWFLSA-N	247.426	4.659	0	10	BJAE	
CC/C=C\[C@@H](C)Cc1cc(C)c(C)cc1F	107566910	NVOFWIKSMOPYDM-JMEBYUIHSA-N	220.331	4.587	0	10	BJAE	
CCCCCCC1(N)CCC(C(C)(C)C)CC1	109702938	LQCMEVAIUSTGJM-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
C1CCC(CCN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	109896651	GKCACUJBXPMNFX-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)c1cc(C)ccc1C	109945064	DGTMJPXHKTYQSD-HUUCEWRRSA-N	233.399	4.533	0	10	BJAE	
CC(C)CC[C@H]1CCCCC[C@H]1CNC(C)C	155818241	RHLJPZSIIFKFGN-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H]1CC(C)(C)CC[C@H]1CNC(C)C	156299613	HBUNYURRAWPPCQ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)c1cccc(C)c1C	163481608	AFAODGBTPPBXKN-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1ccc2ccccc2c1	163672844	HVMZEYUVPOELIY-MRXNPFEDSA-N	241.378	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccc(C(C)C)cc1	163750083	BCVUOAUSCMNIBT-XJKSGUPXSA-N	231.383	4.801	0	10	BJAE	
CC(C)CCC[C@@H](O)C1CCCCCCC1	165775597	NZSJAENPTLXXII-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(F)c(C(=O)[C@@H]2CCCCC2(C)C)c1	226784883	QDWKGFYCZICQHJ-ZDUSSCGKSA-N	248.341	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)c2cc(C)ccc2C)C1	226983788	IXIRJNRFGGUPDP-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
CCCc1ccc(N[C@H]2CC(C)(C)C[C@@H]2C)cc1	233407453	KLTPNXQWWUPDEL-BBRMVZONSA-N	245.410	4.876	0	10	BJAE	
CCC[C@H](CC[C@@H]1CC[C@H](C)[C@@H](C)C1)NCC	251098978	DBOYIVZFGMZNQP-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H]1CCC[C@H](C)C1	300691075	PKEBWRWJPMWQBP-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@](O)(CCCC(C)(C)C)CC1	300856362	LPHSPPHPAIDXIP-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC1([C@@H](N)CCCC(C)(C)C)CCCC1	300881662	OPEAHXSKLCFTMF-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H](C)CCCC	300978717	TWGDRTPREVEMPK-SOUVJXGZSA-N	227.436	4.747	0	10	BJAE	
Cc1cc(NCC2CCCCCCC2)ccc1F	302278068	IPOJKGNUAJZPCO-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@H]2/C=C/CCCCC2)c1	302348116	FSWOGHJHYHUWPZ-KSLMAGSDSA-N	243.394	4.535	0	10	BJAE	
Clc1ccccc1O[C@@H]1/C=C/CCCCC1	304162490	CCIWOYLSRUFMKZ-WNPFHQFXSA-N	236.742	4.608	0	10	BJAE	
Cc1c(Cl)ccc2sc(Cl)cc12	307108591	MFPAENGJVXFXCH-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CC1(CNc2ccc3sccc3c2)CCC1	309244243	BRLMAJAUSSWWTE-UHFFFAOYSA-N	231.364	4.503	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCCC1(C)CCCC1	310158726	PHHKYDRPBQVPTL-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](C[C@H](C)C1CCCCC1)NC	310537649	BDOGXQOZRQTGTF-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCc1ccccc1C(=O)C(C)(C)C(C)(C)C	310583639	SQZQEHUIHOPVKR-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CC(C)=CC[C@]1(CNC(C)(C)C)C[C@H]2CC[C@H]1C2	318172144	BWUOJTDYWRCRHP-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
C[C@H](Nc1ccccc1C(C)(C)C)C1CCC1	379040248	SPOVQNSUWDEXQU-LBPRGKRZSA-N	231.383	4.585	0	10	BJAE	
C[C@H](CC(=O)C(C1CC1)C1CC1)C1CCCCC1	380893029	KAXLUDLOMOBQLS-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CCC1CCCC1	381173520	MNWIWUAIIUBIPH-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCCCCCC(C)C	383254513	KVNZVJQFNZHKNH-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccc(Cl)c(F)c1	384616546	PMOKCIVGJBKBJM-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
CC1CCC(CNc2ccsc2Cl)CC1	387304574	ZCJVAOUTBPDBGO-UHFFFAOYSA-N	243.803	4.640	0	10	BJAE	
CCc1cc2sccc2c(F)c1C(F)F	396257169	VQZAPAHYGYLUBE-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCCCC1(F)F	397968059	SCZVFHHCPWPEOX-OLZOCXBDSA-N	247.373	4.513	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@H](C)C(C)(C)C	399089316	WEEYUJZMPPYBRS-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)[C@@H](C)C(C)(C)C)cc1	399189405	VIJIMYRIDJSOPG-ZENOOKHLSA-N	248.410	4.916	0	10	BJAE	
CCCCc1ccc(NCC2=CCCC2)cc1	401059630	UFVVJIYFJMEYOL-UHFFFAOYSA-N	229.367	4.551	0	10	BJAE	
CC1(CNc2ccc3c(c2)CCCCC3)CCC1	404571263	IAAFDKCYYFEDFQ-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
C[C@@H](CC(=O)CCCC1CC1)CC(C)(C)C	405796568	IQRDNAOSOXHAFD-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@@H](CCCC2CCC2)C1	688400355	DYDIQXVJRCTCMG-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc([C@@H](C)CCNC(C)(C)C)c1	688970272	DLGOYCCIKRHMIC-AWEZNQCLSA-N	247.426	4.692	0	10	BJAE	
CCSc1cccc(N[C@H]2CCCC[C@H]2C)c1	689702417	PWVKOANHWCMEMK-DOMZBBRYSA-N	249.423	4.789	0	10	BJAE	
CC(C)c1ccc([C@]2(O)CCCCC[C@H]2C)cc1	691039792	QKPMRKBMISHKEE-PBHICJAKSA-N	246.394	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC2CCC3(CC2)CC3)CC1	695701253	SJWMZTRJUNQUCU-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC2CCC3(CC2)CC3)C1	695702138	YIOJTOCXFWQFGM-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](C)NC1CCC2(CC1)CC2	695757882	DLZMVAFDGUWPNC-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CC1(C(=O)CC(C)(C)C(C)(F)F)CCCCC1	697015247	MTZRERNBEDHHEK-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(CC)[C@H](CC1CCCCCC1)NC	701259813	BAQKPFWEAINVMU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](N)(CC)[C@@H]1CCCC[C@H]1CC	702027733	UMTCDDHEHDMPFM-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)C1CCCCC1	704863652	RTEWNBHRHTZQPB-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC[C@](N)(c1ccc(C(C)(C)C)cc1)C(C)(C)C	704870914	UUTYLVYJIMDPLW-KRWDZBQOSA-N	247.426	4.594	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CCC1CCCCC1	704930034	QTPAGTKXVZPCFI-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccc(Cl)cc1C	708448597	PCCNRFIBIPAOOR-IINYFYTJSA-N	240.774	4.508	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H]1C[C@H](C)CC(C)(C)C1	708803435	JGPJPGITHDMVJO-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C)CC(C)(C)C	709265059	UESCMNJRZJMUCC-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
C[C@H](Cn1ccc2c(F)cccc21)CC(C)(C)C	709265842	VZGRVHFQVFRSQC-LBPRGKRZSA-N	247.357	4.853	0	10	BJAE	
CC[C@@H](C[C@H](O)CC(C)(C)C(C)C)C(C)(C)C	713128017	NMVHJWBEKSNASD-KBPBESRZSA-N	242.447	4.882	0	10	BJAE	
CCC[C@](C)(CNC1CC1)CC(C)(C)C(C)C	713209811	DRIMNIQRIIKITI-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)C[C@H](C)CC(C)(C)C	713249867	NGRAIIQQTQSXQB-KBPBESRZSA-N	242.447	4.882	0	10	BJAE	
C=C/C=C/CCNc1ccccc1-c1ccccc1	713674648	YZDPIGMDCDQFQE-ONEGZZNKSA-N	249.357	4.898	0	10	BJAE	
CC(C)CCCC1(CNC2CC2)CCC=CCC1	718040277	POTICCUZQYESLH-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H](C)CC	718571672	JCHCWHDGYXAHMT-DZGCQCFKSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CCC(C)=C(C)C)C1	718728336	ISJBLLLFMWEDES-CVEARBPZSA-N	237.431	4.668	0	10	BJAE	
CNC[C@]1([C@H]2CCCC[C@H]2C)CCC=CCCC1	719045050	AJHATAULSLKQAV-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCCC(CCC)[C@@H](CC1CC(C)(C)C1)NC	723568348	ORDDTPBRNDKTKX-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	723607291	GIWUJMANHFTZAX-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
Fc1cccc(-c2ccc(-c3ccccc3)cc2)n1	1239491723	FJIDNMGWBHECOG-UHFFFAOYSA-N	249.288	4.555	0	10	BJAE	
CCN(C[C@H](C)CC(C)(C)C)c1ccccc1	1307560058	WNYFSMOVEUYJBC-CQSZACIVSA-N	233.399	4.585	0	10	BJAE	
CC=CCCCC[C@H](CC)CC(F)F	1885365055	ZKWSBGAVAMHFRN-NSHDSACASA-N	204.304	4.804	0	10	BJAE	
CCC(=O)[C@H](C)CC=C(C)CCCC(C)C	1900866653	LSFWJHONTJAUMS-CQSZACIVSA-N	224.388	4.764	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC1CCCCCC1	1901109989	FLXRWPMCXCPXQR-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H]1CCC(C)(C)C1	1902388917	BUCGTBFTWJLAON-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CCCCC[C@H]2O)CCC1	1909633154	SMTLJBXRIMUPTI-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCCCC[C@@H]2O)CC1	1909701601	PKJNPHQEGSNPRC-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCCC=Cc1ccccc1	1911999323	DKRABCMGBLKELB-JKSUJKDBSA-N	245.410	4.504	0	10	BJAE	
CC(C)CC[C@@H]1CCCCCCCC[C@H]1O	1913397197	CNNHVGDYCBRADR-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CC[C@](N)(CCCC(C)(C)C)c1ccc(C)cc1	1919458472	MCJGZOLPBRICLA-KRWDZBQOSA-N	247.426	4.775	0	10	BJAE	
CCCC[C@@](O)(CC)C1=CCCCCCC1	1919529128	ZSLUSZFDRKXMDZ-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C1CC(CC)C1	1921257672	OWZZLRPSEWUGKI-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCC12CCC2)C1CCCC1	1921489693	KVVIBPWVTIOPFE-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
O=C(CCC1CCCCC1)[C@H]1CCCC12CCC2	1921609370	DQDANRMQVPHYAN-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@H]1C[C@H]2CCCC[C@H]21	1925738703	XCKMCQUNOPFVPS-KLHDSHLOSA-N	246.394	4.518	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)C[C@H]1C=CCCCC1	1925796228	DYANWWPNXBTZOQ-QLFBSQMISA-N	237.431	4.523	0	10	BJAE	
CCC(CC)CC(=O)CC(C)(C)c1ccccc1	1926176407	NMINQWCLIFIVGG-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1sccc1Cl	1927979667	DALQPBUHYTYPGL-ONGXEEELSA-N	246.803	4.507	0	10	BJAE	
CCCC[C@@H](NCC)c1cc(Cl)sc1C	1933587511	KYOSKRQMJOCNFG-LLVKDONJSA-N	245.819	4.551	0	10	BJAE	
CCCCCC[C@H](O)CCCCCC1CC1	1936409876	GYRXVJKGCYXCOZ-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CC1(C)CCCCC1	1940402379	BKJZJVUDTSLFJK-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](CCC1(C)CCCCC1)CC(C)C	1940415594	NSZZTRBBPDBRPW-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC1(CCC(=O)c2cccc3ccsc23)CC1	1940801449	SGUNSQCQWHMOQL-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCC[C@@H]2CC2(C)C)C1	1940872577	NIMRYNZSEZASND-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@@H](CC)C(C)C	1941269275	OFTMQMGEKPHOIM-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC1(NCCCCCC2CC2)CCCCC1	1941591579	MNMHGKADSUFBJD-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944199487	NOFFGCDXUZOROH-BARDWOONSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)C)C(C)(C)C(C)C	1944666550	SEVKFRPKXUXUEO-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@](C)(N)CC1CCCCC1	1944841976	GHQJVRFWYGDJPA-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@@H]1CCC1(C)C	1945752643	VTPKAQRBACEQOF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCN[C@@H]1CCCC2(CCCC2)C1	1946448705	ADTNLMKNWKQLLF-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@@H]1CCC[C@H](CC)C1	1948865073	SHNWZYQNCDJBBR-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)c1nc(C(C)(C)CC)cs1	1960043730	HMDMETXZMOEXHI-SNVBAGLBSA-N	225.401	4.734	0	10	BJAE	
CCCCCN(CC1CCC(C)CC1)C(C)C	1963219168	ORICCADQVVSEJF-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
C(=Cc1ccccc1)CNc1ccccc1C1CC1	1969416814	NSRLTWLTAHMUSC-UHFFFAOYSA-N	249.357	4.689	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN2CCCCC23CCCC3)C1	1969767353	KRVYUFUQWDWDQL-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@H]1CCCC12CCCC2	1969958314	FXDUTEDQGMSRIY-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(-c2nc(C(C)C)cs2)c1	1970822559	PHSUXRIZNDDWRB-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
CCC1(CC)CC(NCC2(C)CCCCC2)C1	1971296694	RLACWZOMDAAXAB-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1cc(C)c(Cl)cc1C	1977429262	YECGJZPEBPDDFK-DGCLKSJQSA-N	237.774	4.557	0	10	BJAE	
Cc1ccc(CC2CC(=C3CC3)C2)c(Cl)c1	1985532693	MIXWRYYEZWWBRA-UHFFFAOYSA-N	232.754	4.691	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H](C)CCC(C)C	1990089338	FOQNJQCLGKGDCK-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
Cc1cccc(N[C@H]2C=CCCCC2)c1Cl	1990968773	MRXPRIOLQKNJRG-LBPRGKRZSA-N	235.758	4.559	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCCC(F)F	1995205738	VDGDNSRCCXZKST-NSHDSACASA-N	234.330	4.597	0	10	BJAE	
CC[C@](O)(CCCC1CCC1)C1CCCCC1	1996545807	CNAIAHGPFCMROO-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1CC2CCC1CC2	1996609751	ABLVCPPLYYFRMR-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2(C)CCC2)CC1	1997115279	GZKWUVFSEPGHGP-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](NCCC)[C@]1(C)CC=CCC1	1997545344	BSBCZSMYQJWLTG-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)C(C)(C)CN[C@@H](C)CC1=CCCCC1	1998388316	ZIXYRWYSTIXLTG-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](N)([C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000058490	NWIAUUSSTKMVRM-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)CC2CCCC2)C1	2000114113	VZZIBUNMSOSPEC-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC1(C)CCCC1	2000308944	MQTXZRBKYKOLBZ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C(C)(CC)CC)C1(C(C)C)CCC1	2000376816	QGQKHCZXKAPDDA-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@H]1CCCC[C@@H]1C	2000906042	GNCYEUKWJZPQKN-HOCLYGCPSA-N	239.447	4.712	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)[C@H]1CCCC(C)(C)C1	2000911785	RTMQQJBQOMWCHU-KBPBESRZSA-N	239.447	4.712	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)[C@H]1CCC[C@H](C)C1	2003015268	NNBXUVZQFDCOHU-AYDFFVQHSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)C[C@@]1(CO)CCCCC12CCC2	2005579037	GEJNYZVPMNQVSG-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCCCC[C@H](NC)C1(C)CCC2(CC2)CC1	2007691396	SDDXZIIDICGLFZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCCCCC1(F)F	2009573136	PYBCJVHUTGQBSS-JDGPPOGSSA-N	244.325	4.518	0	10	BJAE	
C/C=C/CCC[C@@H](CC[C@H]1CC1(C)C)NCC	2009616232	HCMZMBSRPVSVAM-CJKAQPIMSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)C=CCC(C)(C)C1	2012065555	WLDXJUXBWPJRGF-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@](CC)(CO)CC(C(C)C)C(C)C	2015285145	UCLKNOIWOUTKSK-MRXNPFEDSA-N	242.447	4.884	0	10	BJAE	
CCN[C@H](CCC(C(C)C)C(C)C)CC(C)C	2015400878	RITFCLVMBOHRRZ-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@@H]2CC[C@@H](C)CC[C@@H]2O)CCC1	2015631523	GMGVHLWQCPFHJG-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)C(C)(C)CCF)C1CCCCC1	2016766211	PEELVNRTVJFXHD-LBPRGKRZSA-N	242.378	4.548	0	10	BJAE	
CC(C)C1(C[C@@]2(O)CCCCC[C@@H]2C)CCC1	2017116823	NQLYKBGPYRRKII-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CNCC1(CC(C)C)CCCC1	2017431718	VMBCLDRUGXJBFX-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCNC[C@]1(CC(C)=C(C)C)CCCC1(C)C	2017470866	RUMKBFBLQJVDNK-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC1CCC(CC(=O)[C@@]2(C)CC2(C)C)CC1	2017773006	URYLZWBHXGFTNM-SEEARECTSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(=O)C[C@H]1CC[C@H](C)CC1)C(C)C	2017775554	DBKAFDRRYZBCIX-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCCC(C)(C)C2)CC1	2018926286	ZBTYSIZPKFUAJM-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(N2CCCCCC[C@H]2C)CC1	2019168455	DYUWMSZYBQFAOI-QQFBHYJXSA-N	237.431	4.610	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)CCC1CCCCC1	2019182454	SGXLLADPMHVRSI-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCCCCN(C)C1CCC2(CCC2)CC1	2019290690	KTBSZZABEXYKJE-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC[C@@H]1CCCCN1CCCCCC(C)C	2019342519	NZDZEXNECUWZBZ-MRXNPFEDSA-N	239.447	4.857	0	10	BJAE	
CC1(C)CCC(=O)[C@H]([C@@H]2C=CCCCC2)CC1	2019536600	NKGMZONBWZWYBH-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1Cn1ccc2ccc(Cl)cc21	2022548571	ZBMSBGZEGUPHAC-OCCSQVGLSA-N	247.769	4.587	0	10	BJAE	
CCC(CC)C(=O)C[C@H]1C[C@@H]1C1CCCCC1	2022556577	HJKWOLAFOOZVRR-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C(=O)C[C@H]2C[C@H]2C(C)(C)C)CCC1	2022556619	HQAVCQJJYFNNJP-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)C1=CCCCCC1	2026166502	KFJMWHTYPAGRFV-ZBFHGGJFSA-N	237.431	4.811	0	10	BJAE	
CC1(CC(=O)[C@H]2CCCC3(CC3)C2)CCCCC1	2027275943	NCMQLBRKJDONPG-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)C1=CCCCCC1	2027815454	NRJMKTZZPQATTE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1cccc(C2CC2)c1	2028548333	CNWZXIVWDHWOCX-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
CCCC[C@@H](NCCC)c1cccc(C2CC2)c1	2028550278	VACDUZCQOUSNBC-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
Cc1cc2ccccc2n1CC1CCC=CCC1	2028869494	IRXCPHHDUYPQIM-UHFFFAOYSA-N	239.362	4.696	0	10	BJAE	
N[C@]1(C2=CCCCCC2)CC[C@@H]2CCCC[C@H]2C1	2037100562	CIGIOVKQUHYKBY-YQQAZPJKSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@@H]1CCC1CCCC1	2037223659	KFQZNGSCWYIMRI-DZGCQCFKSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2C=CCCC2)CC1	2039374261	GIHUYPJMBARZRP-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@H]2CCc3ccccc3N2)C1	2040119100	FILMPWSYLFTUDF-FMKPAKJESA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H]2CCCC3(CC3)C2)CC1	2041378055	ABVLRBIIPBRORJ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@@H]2C=CCCCCC2)CC1	2041532119	FUJLWTCISLDTLQ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CC1)[C@]1(C)CC=CCC1	2042020703	ZRMNUEJFJPOXTB-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H](NC[C@@]2(C)CC=CCC2)CC(C)(C)C1	2042067397	KDYYBFBJNIOTLO-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCCC(C)C)c1ccccc1C1CC1	2042290555	OAQNUZJCYPCTCP-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CC(C)CNCC1(C[C@@H]2CCC=CCCC2)CC1	2045322237	CPDSNMITAMVZAL-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)C[C@H]1CC12CCCCC2	2047057787	DAWGWUJAHSSYKB-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CNCC[C@@]12CCCCC21CCCCC1	2047566921	TXBDELMUYIBSPO-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCCC1([C@@H](C[C@H]2CCCC3(CC3)C2)NC)CC1	2049857761	NSMVNIFTLUGWOC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C1CCC(CC)CC1)[C@@]1(C)C=CCC1	2050008952	WHSFYHSOTNKZJC-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1CCC2(CC1)CC2	2051407282	ICMRBFWUJQLYAS-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CCCC3(CCCC3)CC2)C1	2051605980	GPOIERYUWKZHSS-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CCCC[C@H]1C1CCCC1	2051672631	VFWMVPTUUYROGR-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
C[C@H](C[C@]1(N)CCC[C@@H]2CC[C@@H]21)C1CCCCC1	2052298714	DMGSRGYCDRNHMX-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
NC[C@@]1(CCC2=CCCCC2)CCCCC12CC2	2053417456	CLQWVZQVWGWTBK-KRWDZBQOSA-N	247.426	4.566	0	10	BJAE	
CCC1CCC(Nc2cnccc2C(C)C)CC1	2053854039	PBLJAHFHMCNGPD-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1CCC[C@@H]1C	2055283922	ILDDIOWLRNIIGM-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC=C[C@@H]1N[C@H]1CCCCCC1(C)C	2055529826	YOSYDXSWYHGUST-GJZGRUSLSA-N	249.442	4.680	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)CC1CC2(CCC2)C1	2056448746	GTFXKKJUHKDSKX-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(C(=O)[C@@H]2CCC[C@H]2C(C)C)c1	2056451283	NTSVOGOSRPLSSQ-JKSUJKDBSA-N	244.378	4.504	0	10	BJAE	
CC(C)C1CC(C[C@]2(N)CCCCC23CCC3)C1	2056652171	ZBZCFOIRULLSBS-VMBOVVBDSA-N	249.442	4.501	0	10	BJAE	
CCCC1CC(C(=O)CC2CC(C3CCC3)C2)C1	2056670610	ZYXTYEIHZZJOLG-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCC1CC1)C[C@@H]1CCC[C@H]2C[C@@H]12	2057354554	QLZXGWFAFVQQHL-ZOBUZTSGSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@H]1CCC12CCC2)NCC	2059249014	DGQSBZKIIMMPPS-TVKHYIBRSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCCC1(CNCC)CCC2(CC2)CC1	2059261089	BSMWGNFODLMTSI-HWKANZROSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CC=C(C2(N)CC(C)(C)C(C)(C)C2)CC1	2061112391	FSVPNFBGRNSVNU-CYBMUJFWSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC1CC(C)C1)C1=CCC(C)(C)CC1	2061146001	CYLAFQZQMJKBRM-XUJLQICISA-N	249.442	4.537	0	10	BJAE	
O=C(CCCCCC1CC1)C1CC(=C2CCC2)C1	2061734325	MDXBLQRLQALZCI-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1CCC[C@H]1C[C@H]1C	2062640597	DJAQSZMYGHJTEJ-KBXIAJHMSA-N	243.394	4.658	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063420775	VKTQYRKJLYSJNJ-UFWWBNMZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(CNC23CCC(CC2)CC3)CC1	2065257238	BOTBNMMOCFQZJY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)c2c(C)coc2CC)CCC1	2069344939	PMYUTOFPQMEMGO-CYBMUJFWSA-N	249.398	4.511	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CC1	2072881754	MPRULLOFPJNSNS-JGFGOLAASA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@@H]1CCC2(CCC2)C1	2074896502	PZIHPMHDLQNRSC-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CCCCc1ccc([C@H]2CC(=O)C[C@@H](C)C2)cc1	2077925657	XPVKVSIJVBWUND-XJKSGUPXSA-N	244.378	4.502	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@@H]1C1CCCCCC1)C1CC1	2079487971	SVGGRZYJLMSGHG-DAXOMENPSA-N	248.410	4.598	0	10	BJAE	
NCC1(C[C@@H]2C[C@H]2C2CCCC2)CCCCCC1	2079660926	NQOJUISQICBKRB-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)CCCC2(C)CC2)c1	2082943569	BVGVVTOYBFDUDX-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
CC(C)(CO)CCCCCCCCC1CC1	2212446062	JIDXYRGJDBZRCK-UHFFFAOYSA-N	226.404	4.536	0	10	BJAE	
CC(C)=C(C)CCc1ccc2occc2c1	2212763369	DDYVATDQPYEDQK-UHFFFAOYSA-N	214.308	4.722	0	10	BJAE	
CC(C)CC(=O)CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213279986	NOCBSTUJADBVGF-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCN[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216259106	SFMCEOUJVWWUBO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCCC(F)F)[C@H](C)CCC	2216455734	ADVZYEOLAXZWSB-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCC(C)(CC)NCCCCCCCC1CC1	2216882984	FPHCHAHSUCOBKH-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218339072	ZSWLZQDPSRGCRG-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)[C@]1(C)C=CCC1	2218721894	WLUDYBKVZQBQBK-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C1(C)CC2(CCC2)C1	2221006929	YMBDBTYDCVLTLJ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H]1CC[C@@]1(N)CC1(C)CC2(CCC2)C1	2221037334	CWFFMXJDHNSZOJ-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CC[C@@H]3CCCC[C@H]32)C1	2221041319	RSJSVRBBKJWAIX-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)C2=CCCCCCC2)CC1	2221633690	VOHZIHHFGCZNLL-IRXDYDNUSA-N	247.426	4.731	0	10	BJAE	
CC1=CC[C@@](CN)(C[C@@H](C)C2CCCCC2)CC1	2221652555	DDTLHSFOTDPHBE-WBVHZDCISA-N	249.442	4.668	0	10	BJAE	
CC1=CC[C@H](N[C@H]2CCCC[C@H]2C(C)(C)C)CC1	2221663709	UBQINMXWAHOORE-XHSDSOJGSA-N	249.442	4.680	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC2CCC2)C=CCCC1	2223543361	YJMRXJQJVWXOHE-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C[C@H](N)CC[C@H]1CCCCC12CC2	2246630083	LMFWASUCGGIBIG-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)CN(CC)CCCCC[C@H]1C[C@H]1C	2248838418	AOWVEZRYEYJIQE-XHSDSOJGSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](C=C(CNC(C)(C)C)C(C)C)CC	2250372042	IUXILJOJPKFDNB-CQSZACIVSA-N	239.447	4.783	0	10	BJAE	
CC[C@@]1(CC[C@@H](C)CCCC(C)C)CCCN1	2250470384	ZMJUHNHYCJPESY-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)[C@@H]1CC12CCC2	2256452466	SECVYXPBMUUBCF-ZFWWWQNUSA-N	243.394	4.630	0	10	BJAE	
COc1ccc(C[C@H]2C=CCCCC2)c(C)c1C	2256956249	VXEZRHUUZIVTRU-HNNXBMFYSA-N	244.378	4.601	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1CCC12CCC2	2257245251	IKDJONRVKMCTEW-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1OCCCCC[C@@H]1C[C@@H]1C	2257245890	CNPOUFIGFSOZSU-JKSUJKDBSA-N	246.394	4.899	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)C1CC2(CCC2)C1	2257254020	FKPFURAFWXCOJI-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC[C@@H]1C=CCCCC1	2257310494	GZJONXZJJHBPSN-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCCC(=O)c1cccc(-c2ccccc2)c1	2257581475	JQIBOMINLJZYJG-UHFFFAOYSA-N	238.330	4.727	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccc(C(C)(C)C)cc1	2259449170	USEAIOMXGXFSPX-CJNGLKHVSA-N	247.426	4.810	0	10	BJAE	
CC1CC2(C1)CC(C[C@]1(N)CCCCC1(C)C)C2	2259583823	WDPYDCGBWMBBAL-UJCFSERGSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@@]23CCC[C@@H]2CC3)CCC1	2260494830	WLLCULCFICHVQV-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@@]23CCC[C@@H]2CC3)C1	2260650651	FVBRMZFWFLIHHC-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2260658007	MENKTHYJMOLTBU-LXZKKBNFSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](O)(CC)c1cccc(C2CCCC2)c1	2260729996	HLDUVUQCCABPHS-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1C(C)=CCC[C@H]1C	2300674882	ZFYMDJSLCZUTTI-KBMXLJTQSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](CC=C(C)CC)C1	2300896485	IVTAGPBIDOQWDT-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(=CCc1ccc(C)nc1)CCCC(C)C	2300931937	ODIYAYVAIIDMFG-UHFFFAOYSA-N	231.383	4.705	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@@H](C)[C@H](C)C(C)C	2301839238	XXYWLYUBEJEAOU-CABCVRRESA-N	241.463	4.704	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@H](C)[C@H](C)C(C)C	2301843500	JUERCFXFFNFJOU-LVQVYYBASA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)[C@H](C)[C@H](C)C(C)C	2301979305	UZTJTHLESZBKON-IIAWOOMASA-N	239.447	4.568	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1c1nc([C@@H]2CC2(C)C)cs1	2302256612	FFANJXUEJRJZOA-WOPDTQHZSA-N	249.423	4.950	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@@H]1CCC(C)(C)C1)NCC	2302674381	ACZSKOJZZPRERW-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CC2CCCC2)CC1	2303602877	YDPUCJZLZOJMAN-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CC[C@H](CCCC2(CO)CCCC2)C1	2304397992	ZZGBPJYTONUYSK-AWEZNQCLSA-N	238.415	4.536	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H](C)C1CCCCC1	2307902274	KJBYBWNPRIWKTF-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@H]1C)[C@@H]1C=CCCC1	2310427298	XGBJITNVKOYVDO-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@@H]3CC[C@H]23)cc(C)c1C	2313087224	DEFRAQURBZVSHA-PVAVHDDUSA-N	243.394	4.602	0	10	BJAE	
C[C@@H](C[C@@]12CCCC[C@@H]1CC2)c1ccc(N)cc1	2313344741	XCLCCMSEIPNNSC-LXZKKBNFSA-N	243.394	4.733	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(C[C@@]23CCCC[C@@H]2CC3)C1	2313345207	FRSSKUGDQCTSQJ-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H](C)CC1CCC1	2313694732	HRQBOTGKIWCUER-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(N)(CC1CC1)CC1CC1	2315448674	DRCDEGVJUAWPER-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@]12CCCC[C@H]1C2	2316536356	MINUWQZNRKLJSR-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1ccc(C2(C)CC2)cc1	2317831924	RBZBWMSGEHIZRM-ZIAGYGMSSA-N	245.410	4.831	0	10	BJAE	
C[C@@H]1C(C)(C)C[C@]1(N)CC[C@H]1CCCCC12CC2	2318241108	NVOHMPOUJWXJAW-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1[C@@H]([C@H]2C[C@@H](C)Nc3ccccc32)CC1(C)C	2318270239	KVNGOWKPWSTKOZ-DHMWGJHJSA-N	243.394	4.657	0	10	BJAE	
CCN[C@@H](CC)c1cccc(CCCC(C)C)c1	2318391736	OORMZDKYAZGIOB-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1NCCCC1=CCCCC1	2318532402	XVQKKQOCAHXPDM-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCC(C)(C)C2)cc1C	2319288223	GCRFPVDLUCWYFQ-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H]1CC[C@@H]1C(C)(C)C	2320198300	WMSLLOLDKXVAKR-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC(=O)C1CC(=C2CC2)C1	2320314487	YHXKIWFLSSRLFS-WFASDCNBSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CC=C[C@@](O)(C[C@H]2CCC(C)=C(C)C2)C1	2320340053	IUIKHDGRZOFYMY-IKGGRYGDSA-N	248.410	4.620	0	10	BJAE	
CC1=C(C)C[C@@H](CNC2CCC(C)(C)CC2)CC1	2320414408	RSHXSRDPWJJFPI-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@@H](C)C2CCC2)c1	2320577443	DPUQLHXMTLOYQO-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CC1(C[C@H](N)c2cccc(C3CCC3)c2)CCC1	2320655739	SHXYJAMIEMMEFI-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@H](CC2CC2)C2CC2)CC1	2320810092	HGQAQAJOEXYKPG-UHOFOFEASA-N	248.410	4.598	0	10	BJAE	
Cc1ccc2c(ccn2[C@H](CC2CC2)C2CC2)c1	2320812463	MQOITYDJEPDWCS-QGZVFWFLSA-N	239.362	4.701	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CC(C)(C)C[C@@H]2C)c1	2321083130	OCFFTLAJYYTWSN-XHDPSFHLSA-N	249.373	4.625	0	10	BJAE	
CCCCCCc1ccc(C[C@H](O)CCC)cc1	2327894319	QJTFUSPGYDXWDI-QGZVFWFLSA-N	248.410	4.513	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CN)C[C@H]2C=C[C@H]1CCC2	2328214387	WPCZYGOSIBNBNB-QBPKDAKJSA-N	249.442	4.524	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc([C@H]2C[C@@H]2C)o1	2328278420	QDUDKSGSKDTVCW-XUXIUFHCSA-N	249.398	4.619	0	10	BJAE	
C[C@@H](NC1CCCCCCC1)c1ccc(F)cc1	19980418	FQBYQJWUCYFZDD-CYBMUJFWSA-N	249.373	4.589	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)CC2CCCC2)c1C	21811391	WKRKJNYVPWILIH-INIZCTEOSA-N	245.410	4.500	0	10	BJAE	
CCCCCCN[C@H]1CCCC[C@@H]1C(C)(C)C	22147769	AQWYASVCPHPRNQ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)c1cccs1	35545356	ULNUIWZFGIAFCI-GXTWGEPZSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](C)Nc1ccccc1CCC	37282299	UDHQRZFERMLUJM-ZDUSSCGKSA-N	219.372	4.630	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C[C@H](C)CCC	71085361	DKFOAOKPDDWSBG-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(N)CCCC(C)(C)CC1	83435514	SATQPRXVSWQJCU-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCCC1(C)C	86867333	YCHMTZQUSXFMTB-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](CC(C)C)NC	87522076	XGOFSDLCVGZSFM-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](C)Oc1ccc(C=O)c(C)c1	91873837	IQVNGEKKZGMFFG-AWEZNQCLSA-N	248.366	4.545	0	10	BJAE	
CCC(CC)C1(CNC(C)(C)C)CCCCC1	94678099	OXSGGXKPRZTUKJ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC1([C@@H](N)c2c(C)cc(C)cc2C)CCCC1	94899609	UASWRGFHIKJGRB-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
C1CCCC[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2CCC1	100065884	XMYHOVWXGDEUKH-AJNGGQMLSA-N	206.373	4.783	0	10	BJAE	
CC(C)CCCN[C@H]1CCCC[C@H]1C(C)(C)C	103983668	ONHNKZMPCKMVTK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCOc1ccc(CCCF)cc1C(C)C	107597695	OJBIFDAVHKQCLB-UHFFFAOYSA-N	238.346	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	109665341	AWUPCWUGNNHHLM-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](O)c1ccc2ccccc2c1	112887256	ZRAUMVQXBQYCBG-KRWDZBQOSA-N	242.362	4.844	0	10	BJAE	
CCC[C@@H](C)C[C@H](CNC(C)C)C1CCCC1	128260521	PUJGDHWMEXQXQH-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc2ccn(CCCC(C)C)c12	128400328	VXWOFIWCLLFPMQ-UHFFFAOYSA-N	229.367	4.640	0	10	BJAE	
CCCCC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1CN	132239320	VVPWEZDEAWWSKZ-RRFJBIMHSA-N	239.447	4.604	0	10	BJAE	
CCCC(CCC)C(=O)c1sc(C)cc1C	132907749	KJVAUDZCYUWHLA-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CN[C@@H](CCC(C)C)C1(CC(C)C)CCCC1	158634769	QEFXMIJIDJVMBS-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](CCC1CCCCC1)NC	162075312	SHGAGHGBVAOTBM-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](C(=O)C1CCCC1)c1ccccc1	164039177	KGNXHSPKXGVYGC-XJKSGUPXSA-N	244.378	4.576	0	10	BJAE	
CCCCCC[C@H](O)c1cccc(C)c1Cl	168248771	SRJPWPGVEFCXKP-ZDUSSCGKSA-N	240.774	4.652	0	10	BJAE	
Cc1ccc(SNc2ccc(Cl)cc2)cc1	206724696	RRENCUYKDUMLOG-UHFFFAOYSA-N	249.766	4.768	0	10	BJAE	
C[C@H](CC(C)(C)C)NC(C)(C)CC(C)(C)C	220697229	UDAWRWSFVMLPSY-GFCCVEGCSA-N	227.436	4.616	0	10	BJAE	
Cc1cc(Cl)ccc1[C@H](O)CCCC(C)C	232560476	LMOHFWHAKMGTDR-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
CCC[C@H](C)[C@]1(O)CCC[C@@H](C(C)(C)C)CC1	233340689	YGIVFPIHBFPECU-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CCC(C)C)C1=CCCCCCC1	233616302	BQXBCYYVCPZJRI-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H](CC(C)C)c1ccccc1	252406946	GZRSFOUFRNJXRX-YQQAZPJKSA-N	247.426	4.798	0	10	BJAE	
CC(C)(C)[C@@H](F)c1ccccc1Br	258977491	SEVAIDUDQBCLGX-JTQLQIEISA-N	245.135	4.506	0	10	BJAE	
C[C@@](F)(c1ccccc1O)C1CCCCCC1	258983803	SPPIVFSRAFFFLP-HNNXBMFYSA-N	236.330	4.547	0	10	BJAE	
Fc1ccc2c(ccn2C2CCCCCC2)c1	301708231	JSYVARRGDHPNIC-UHFFFAOYSA-N	231.314	4.676	0	10	BJAE	
CCc1ccc([C@@H](C)NCCCC(C)(C)C)cc1	302339201	UQVZKBDXFKLDRL-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
CCc1csc2c(CC)cc(Cl)cc12	306896412	PRJICXBRMVMJTB-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
C/C(=C\C1CCC(C)(C)CC1)CNC(C)(C)C	310122944	IMABCPSMSUUCSE-ACCUITESSA-N	237.431	4.537	0	10	BJAE	
CC(C)C1CCC(NCCCC(C)(C)C)CC1	313255725	RNKJLHVRXPVYDB-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C1(CNCC)CCCCCCC1	317226288	UINGXJOQUCHPDH-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCNC[C@]1(CCCC(C)(C)C)CC=CCC1	317916007	RYJJTXITAJCXOW-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)CC1CCCCCC1	319843499	MKROGKUJVWNQFF-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)[C@H]1CC[C@H](CC)CC1	328491764	XUTJPFXPSYPULT-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@H](NC)C(C)(C)C(C)(C)C)CCC1	380168516	WINRRUMQAWONPH-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1(C)CCCC1)CC(C)C	383705787	WFNNEVKAIKYREM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)CC2CCCCC2)C1	383959362	XDNUZZHCNSWJBJ-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC/C(=C/[C@H](C)C1CCCCC1)CNC(C)C	393847337	RIRGFFKUNSJENR-XFNCEPBJSA-N	237.431	4.537	0	10	BJAE	
C1CCCC(CCN[C@H](C2CCC2)C2CC2)CC1	394563523	HFAQQAUKTABGDY-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CSc1ccc2c(C(F)F)c(C)sc2c1	396401404	FFRMNPIUFPRIJP-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCC1(CN[C@@]2(C)CCCC[C@@H]2C)CCC1	687280075	ZVEGZOAMRSRUIL-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1cccc([C@](C)(O)CC2CCCC2)c1	688914623	QJNCYLCHMPUIPH-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCCCC[C@@H]1CC	691106737	WHHVMFCMPROCQB-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CC1(C[C@H](O)c2cccc(C(C)(C)C)c2)CCC1	691702739	UJDPOQQQPNEOSK-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
C[C@H](CC(=O)[C@]12CCCC[C@@H]1C2)C1CCCCC1	693200348	OWYJZMCOSBAMQL-UNEWFSDZSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@](C)(CCC(C)(C)CC)CNC1CC1	696676669	DCIRWIDJNDUXDV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCC[C@H]1C1CC1	696727134	LITDNTVDTQROMK-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CNC(C)C)C1CCCCCC1	696869562	XNIIIGDHQXHOQM-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCCC23CCC3)CC1	697565790	BKNDEELXONHHRQ-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C(C)(C)CC	701179964	JZDJMRQDJCVQGG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC1CCCCCC1	701179991	JOGVQIXQFGGELO-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCC(N)(CCC)Cc1ccc(C(C)C)cc1	704935705	ATQPSHLSBSRMMV-UHFFFAOYSA-N	247.426	4.650	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CC[C@H]2CCC[C@@H]21	707862579	UQGNYGSMVCSVQN-KWCYVHTRSA-N	249.785	4.639	0	10	BJAE	
CCN[C@@H]([C@@H](C)CC(C)(C)C)[C@H](C)CC(C)C	708249280	MSIQHLCUYNLJHE-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CCCc1ccccc1[C@@H](N)[C@@H](C)CC(C)(C)C	708286652	SZNDDSLYFRAEKR-BBRMVZONSA-N	247.426	4.711	0	10	BJAE	
CCC(C)(C)C[C@@H](C[C@@H](C)CC(C)(C)C)NC	709092600	YFZLVRUANVEOMZ-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1NC[C@H]1CC=CCC1	709134036	LCLUQIITZVWICD-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@@H](C)CC(C)C	709144359	SFSCYXNTNXJHGZ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CCC[C@H](N)c1ccccc1)CC(C)(C)C	709189508	PFDIMVWYLFAADH-ZBFHGGJFSA-N	247.426	4.929	0	10	BJAE	
CC[C@H](CCNC1CCCCCC1)C(C)(C)C	711189436	IUFFQPGVVIFPQR-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC1(CN[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1	714258590	OTHAXQIQTJTNRL-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714280672	UUHIFHMQOPWXTF-HRCADAONSA-N	231.383	4.636	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)C[C@@H]1O)CC(C)(C)C	717548254	DIBLDZVQUQTVOO-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CCC(C)=C(C)C	718490047	AWUDWUNEALQAPT-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCCC(C)(F)F)NC	718721997	LHYGFWXLJSRLPZ-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCC(C)=C(C)C)C1	719151721	PGSBBSMDPUNSPF-GJZGRUSLSA-N	236.399	4.908	0	10	BJAE	
CCCC1CCC(C(C)(C)Cl)CC1	725261267	AGCKPVZOFSXEQY-UHFFFAOYSA-N	202.769	4.610	0	10	BJAE	
CCC(CC)CSc1ccc(C)s1	1613865572	GRNBNTGTYNHBID-UHFFFAOYSA-N	214.399	4.585	0	10	BJAE	
Clc1ccsc1CSCC1CCCC1	1644290691	GDYGKFFPBCQINY-UHFFFAOYSA-N	246.828	4.825	0	10	BJAE	
CCCN[C@H](C)C(C)=Cc1ccc(C(C)C)cc1	1879003679	SHMCNQNWWRFBIN-OAHLLOKOSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)CCCC(C)C	1900592518	CIJLMTYEMKACJJ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CC=C(C)CC	1900844156	ZXCQPQUUUSQQTG-LSDHHAIUSA-N	225.420	4.523	0	10	BJAE	
CC[C@@H]1CC[C@H](c2nc([C@@H]3C[C@@H]3C)cs2)C1	1905264306	UGNBEKNGGWWXOH-WHOHXGKFSA-N	235.396	4.560	0	10	BJAE	
CC(C)=CCCC(=O)C1CC2(CCCCC2)C1	1912620404	CUBVKURVZSIOEL-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC(F)(F)C[C@H]1CCCCCCCCC1=O	1913425752	HNMHEKRYJPCBEM-GFCCVEGCSA-N	246.341	4.742	0	10	BJAE	
CC(C)CCCCC[C@@H]1C(=O)C[C@@H](C)C[C@@H]1C	1916078935	JWQMQMLAIFNTFZ-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCCc2nc([C@@H](C)C3CCCCC3)[nH]c21	1924110472	XUDLKAKCKBDRTI-RYUDHWBXSA-N	246.398	4.533	0	10	BJAE	
CCC[C@](O)([C@@H](C)CCC(C)C)C(C)(C)C	1937160857	ABYKGTZOMSBKGD-ZFWWWQNUSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](C(C)C)[C@H](C)C(C(C)C)C(C)C	1940253750	RBKADVPJGPBGPB-GDBMZVCRSA-N	241.463	4.575	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CC1(C)CCCCC1	1940407812	JPCQVABLXNTRRD-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC[C@@](N)(CC1(C)CCCCC1)[C@@H]1CC1(C)C	1940409014	MWXQTMPPMKKBHI-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H](O)CCC1(C)CC1)C1CCCCC1	1940792236	JKPPNEBBWCKENK-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CCC1(C)CC1	1940794428	CLGACBITEUBLJW-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)CC(CC)CC	1940796687	IWUVGKGCJLAKMC-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@@H](C)c1ccc(N)cc1	1940969734	CVOVHRKSXLUUDB-CQSZACIVSA-N	233.399	4.979	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@@H](CC)C(C)C	1941272515	LIXYYFJHXZKWAA-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(C(=O)CCCCCC2CC2)cc1	1941585688	VAZKVFVOEGPQPJ-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)CC1CCC=CCC1	1941817250	XDJMPBSMJSTONR-DZGCQCFKSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](CN[C@@H]1CCC[C@@H](CC)CC1)C(C)C	1941934879	NSPDDMSTNQNGLJ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@]12CCCC[C@H]1CCC2	1944223961	VLXZZVCTHKQUGH-DZKIICNBSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)C[C@@H]1CCC[C@H]1C	1944848353	DMDJALBNRDWDOB-FXUDXRNXSA-N	240.431	4.636	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2CCC[C@H](C)C2)CCC1	1948925251	ZZTIQYNIJBPVCB-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C(CC)(CC)CC	1948931185	VGWDFBXLCHDKOO-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)C1=CCCCCCC1	1948950149	VFYNFRJAEAFJBI-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@@H](N)CCCC(C)(C)C)C1	1948984320	XYQAOICMPFUEGR-CFVMTHIKSA-N	237.431	4.523	0	10	BJAE	
C[C@H]1CC[C@H](Oc2ccccc2C(C)(C)C)C1	1949501722	OZHFMRBNHXAWQI-STQMWFEESA-N	232.367	4.552	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCC(C)(C)[C@@H](NCC)C1	1949658224	AIFHAGNVYUBDQA-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCCC(C)(F)F)C(C)(C)C	1949827044	JNXUMKYYXWVXFW-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC(C)CC[C@@H](C)C[C@H](O)CC1CCCCC1	1949912569	NXRHTLWLOZJIER-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCNC[C@]1([C@H](C)CC)CCC[C@@H](C)CC1	1950920979	ALULQHPRRUBOJC-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](N)[C@H]1CCCC(C)(C)CC1	1950922482	OEJNEQIUJUXLOL-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC[C@]1(CN)CCC[C@H](C)CC1	1950924916	OSXAHLWGWIIPCV-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
CC(C)c1ccc(NC2C[C@H]3[C@H](C2)C3(C)C)cc1	1968291402	BNSJFERUPKBCNR-HOTGVXAUSA-N	243.394	4.657	0	10	BJAE	
CC(C)=CCc1ccc(C)c2ccccc12	1980982420	OFCWCAUYHNLTST-UHFFFAOYSA-N	210.320	4.657	0	10	BJAE	
CCCCCC[C@@H]1CCC(C)(C)CC[C@@H]1N	1984461646	GHRRKQHWIGXURL-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCC[C@H]1C	1990093089	HJLJMXVYUYTKTD-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
Cc1cccc(N[C@@H]2C=CCCCC2)c1Cl	1990968772	MRXPRIOLQKNJRG-GFCCVEGCSA-N	235.758	4.559	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CC(C)(C)CC)CC1	1997116339	JYRJGSAYLIKALC-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCCNCCC=C(C)[C@H]1CCCC(C)(C)C1	2000142507	FZBWQJRLZBYRNC-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N(C)[C@H](C)CC(C)(C)C)C1	2000909115	HVIPTDURNCFNLF-BARDWOONSA-N	239.447	4.568	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(O)CC1(C)CCC1	2001144966	SKGCLKAEMSXVMJ-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(=O)C[C@H]1CC12CCCC2)C(C)C	2001255777	UESMSWUGLDQSOQ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C[C@H]1CC12CCCCC2	2001258382	DYCWTCDJLQULLF-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
Clc1ccc2ccn([C@@H]3CC[C@@H]4C[C@H]4C3)c2c1	2001464094	MXPQUANVVIVSFU-MBNYWOFBSA-N	245.753	4.656	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)C1CCC(CC)CC1	2002922708	CGQJZFQSFHSHBD-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2003019886	YBWAFICTXLOXQT-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C(C)C)C1CCCCCCCC1	2003094017	AVENGYSJWWWMQJ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1CCC2(CC2)C1	2003277193	HNLFQYGUEVQLLX-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C(C)(CC)CC)[C@@]1(C)C=CCC1	2003320479	HOBWOBPNMBEDPU-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1CC(C(C)C)C1	2007765541	KCWLUDADVSGJOO-SLTAFYQDSA-N	238.415	4.700	0	10	BJAE	
CC=C(C)[C@H](CCC1CCCCC1)NCCC	2007863220	RQAPFZIVBCGOAL-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@H](C)C1CCCCC1	2009616435	JDHVWRRPCPRVFG-ATQQARJTSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H]1CCCC[C@@H]1CC	2009635827	QYLNSKGOYAKIBC-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C1=CCC(C)(C)CC1	2010712962	BWXGEPYATDUEKA-HUUCEWRRSA-N	238.415	4.556	0	10	BJAE	
Cc1ccc(C)c(CCC2CC(=C3CC3)C2)c1	2011090248	PQTCUGGDJWBYFW-UHFFFAOYSA-N	226.363	4.736	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1	2011996601	LZRQIVWVGQVAFJ-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@@](CC)(CNC(C)C)C(C)C	2012422537	XCBJVDVLMZWDEZ-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)CCC)CCC1(C)C	2014848546	GJAHKNDTFKICHS-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@@H](C)C[C@](C)(CNC(C)(C)C)C(C)C	2015400560	QMDRMTFQFFTJSW-GOEBONIOSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CCC[C@@H](C)C2)CCC1	2015638942	AQSFCTBVFWAPGN-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCC(=O)C1(CC2CC2)CC1	2015744971	CPOXBARNBAJIOR-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC1(C(C)(C)C)CCC1	2017139946	BKNMSQVLIWILGO-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1(C)CCCCC1	2017490765	NJTZPBVLCTVWAT-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@]1(CC)[C@H](CNCCC)C1(C)C	2018133659	GYXBVIVFRPEQEP-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@H]1C=CCCCC1	2018187699	HJPUSPNSYGQDLQ-HOTGVXAUSA-N	237.431	4.633	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@@H]1CCCC[C@@H]1C	2018189405	SUHWOFIDTDJMJN-HRCADAONSA-N	239.447	4.856	0	10	BJAE	
CC[C@H]1CC=C([C@@H]2CCCC(C)(C)C2=O)CC1	2020389868	ZVLQDHKYKDBICM-JSGCOSHPSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CCC(=O)CC1CCCC1	2022555868	BBJJXGLVBHIUQQ-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@@H](C)[C@H]1CC[C@@H](N)CC1)CC(C)(C)C	2023551715	UVYUXEIEOGDEEV-LJISPDSOSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC(C)(C)C1)[C@H](C)CC	2024094296	JDPOORSSOCOBEM-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC(C)(C)CC[C@@H]1O	2024148598	QOUWGNFNEMWXSO-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1ccc(CC(C)C)cc1	2028252906	RTDLBQCVXFLEMM-IAGOWNOFSA-N	247.426	4.567	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)c2ccccc2C2CC2)C1	2028570627	YZWPGONKQUZCNE-OCCSQVGLSA-N	242.362	4.573	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@H]2CCC[C@@H]21)C1CCCCC1	2028770118	CAOGNYOOLDUHFH-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccc(C3(C)CC3)cc2)C1	2032243457	VOHAJMNUGZRLFX-CJNGLKHVSA-N	243.394	4.729	0	10	BJAE	
CC1(C)C[C@H]1CCCN1CCCC12CCCCC2	2033521948	DDRXXKBSXDAOBP-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2035552802	RQXGDCRRPLVRMC-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@@H]1CC12CCCC2	2036130620	WQPMLOVYPXBVQS-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@H](NCCC1CCCC1)C2	2036663410	CTSQGPKJGZEFJA-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](N)[C@@H](c1ccccc1)C(C)C	2037215638	PJPCSZFAMDSQIB-CVEARBPZSA-N	247.426	4.580	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@@H]2C=CCC2)CCC1(C)C	2037867284	VRYDFNCYKDLTSQ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@](CNC2CC2)(C2CCCC2)CC1	2039377429	VFRSMGVBCUXNLB-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C2(CNC(C)(C)C)CC=CC2)CC1	2042098254	FSIOCVYOCHKILA-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@H]1CCC=CCCC1	2045310319	NIPFEDKGMUMXNK-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CCNc3ccccc32)C1	2045503600	DTYPGBZLTTWBRR-UONOGXRCSA-N	243.394	4.802	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CCCCCC1CC1	2045681039	SFHJDNKYGOLVLQ-WMLDXEAASA-N	248.410	4.908	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@H]1CC12CCCCC2	2047005838	WIMVXVZEVYSTBL-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@@H]1CC12CCCCC2	2047016808	QZUGOTCSZAJZFD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@H]2CCC23CCC3)CC1	2047936926	UICBOONKCLEDEO-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048410658	AYZUQUPSPRZJFH-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1OC1[C@@H]2CCCCC[C@@H]12	2049193346	YRMLQOVYSIALQK-HUUCEWRRSA-N	244.378	4.597	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)NC[C@H]2C=CCCCC2)C1	2049534570	YJYKXFLFTINYRM-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCCC1)CC1(C)CCCC1	2049790277	HAOBLLBODDMJKP-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)NCC1(C[C@@H]2CCCC3(CC3)C2)CC1	2049849713	SKHROIVCMWZKJS-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CCC2(CC1)CC2)C1CCCCC1	2049857468	PTXAJYPEXSLARM-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)[C@@]1(C)C=CCC1	2050011167	ZOFRJYUUIPJUEA-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2055209206	IFUWWQLCNYYSPS-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC(C)(CCC(=O)C[C@@H]1CCC[C@H]2C[C@@H]12)C1CC1	2057358939	WHKQBLVCYUIGAE-XEZPLFJOSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1C[C@@H]2CCCC[C@H]21	2059262818	PDQYPILKUBWQFQ-JVFQJLMCSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(N[C@H]2CCCC23CCCCC3)C1	2059396034	UNYHVWNUGAGURL-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)[C@@H]1CC[C@@H](C)C1	2061087827	ILSOXGOVUJGPCY-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)C1(C)CCCC1	2061091562	JZWLAAMKWVDNDE-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C2=CC[C@H](C(C)C)CC2)C1	2061121235	DSYULWDRBOCECB-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@@](C)(F)c2ccc(N)cc2)CC1	2061138596	YFCAZXPDRDVHOW-INIZCTEOSA-N	247.357	4.590	0	10	BJAE	
C=C=CCC[C@@]1(CNC(C)(C)C)CCCC1(C)C	2061558838	XZNVUXKSHIUIFQ-KRWDZBQOSA-N	249.442	4.692	0	10	BJAE	
CCC[C@](N)(CC1CC(=C2CCC2)C1)C1CCC1	2061671006	BCJKRXYSMFLLRW-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@@H]1CCCCC12CCC2	2062636614	DMZOAFFHWSIEQQ-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1C[C@@H]2CCC[C@H]2C1)CC1CCCC1	2063423816	MLWUCDQMZQUOIX-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)C12CCCC1CCC2	2063822329	QSSVTFARFUZHNI-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCC23CCCCCC3)C1	2070392324	HOOLNTRPDATYBY-OAHLLOKOSA-N	249.442	4.754	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@@H]1C1CCC1	2071783026	OJLGMMSDWNJGAH-HZPDHXFCSA-N	243.394	4.548	0	10	BJAE	
C1CCCC(CN[C@H]2CC[C@@H]2C2CCC2)CCC1	2071828854	CKNMAPXKOYRQOY-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)C2CC3(CC3)C2)CC1	2072789973	BTILPOASYFBMRK-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CC=CC[C@@H]2C)CC1	2072805301	AVEQAHFUMNHPHH-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CCCCCC1CC(N)(C[C@@]23CCCC[C@@H]2C3)C1	2074035626	XXWONZMFKBBEBE-GMRIPVOYSA-N	249.442	4.645	0	10	BJAE	
CCCC1(CN(C)[C@H]2CCCCCC23CC3)CC1	2074592302	BLENVCYFVOPCRL-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@H](CC23CCC(CC2)CC3)[C@@H]1N	2076395011	GRIZFIJTZGYXKW-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H]1CC12CCCCC2	2077184051	FKXSXNBMGBCNDZ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@H]1C[C@H]1C1CCC1	2079439229	MXZRLWASBOOWMH-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2C[C@@H]2C2CCCCC2)C1	2079532053	SXQOQDFJZRCQTQ-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1N[C@@H]1CCCC12CCCCC2	2079532749	VDHKRADHUZDNNA-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCC[C@]1(C[C@@H]2C[C@@H]2C2CCCCC2)CCCN1	2079646080	VLYZSWRXUBRWAC-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@@H]1C[C@H]1C1CCCCC1	2079702591	RCJAYMPFDBKOOG-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
C[C@](N)(C[C@@H]1C[C@@H]1C1CCCCCC1)C1CCC1	2079816880	AZBRSLBLWLFJSB-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCC1	2079852109	OQSWWQAUPFIZAO-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@@H]1C[C@@H](N)c1ccc(C(C)C)cc1	2079884414	HOTSUOHOKLYZPD-GVDBMIGSSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H]1C=CCCCC1	2081774521	IXWGKGXYHXAWFL-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CC1(C)CC(C[C@H](N)c2ccoc2)CC(C)(C)C1	2082992446	ZIOWKSXTXCXMFQ-AWEZNQCLSA-N	249.398	4.522	0	10	BJAE	
C[C@H]1CCCC[C@H]1CC=Cc1ccccc1	2210662698	SCZJFXZCEKEIJK-HOCLYGCPSA-N	214.352	4.916	0	10	BJAE	
Cc1cc(O)ccc1-c1cc(C)c(Cl)c(C)c1	2212874351	MUYKFELILIWFMK-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CC(C)C(=O)CCC[C@H]1C[C@H]2CCC[C@@H](C1)C2	2213299726	TUDIHKKZOKBDKS-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@@H]1CC)C(C)(C)C	2215246451	IXOJRENDXIZPQV-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(CCC2(CO)CCCCC2)C1	2215386735	MYPZDMLVJLFCOL-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)[C@@H](C)CCC(C)C)CC1	2215813122	MXHWJHQTOZBGHH-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@H](C)CC(C)(C)C	2215997440	KWMMDFQLADNOIV-CYBMUJFWSA-N	232.367	4.558	0	10	BJAE	
O[C@@H]1CCCCCCC[C@H]1CCCCC(F)F	2216446809	IWVLGPWGZGUGJK-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCC(C)(C)CC1(CNC2CCC2)CCCC1	2217154533	VELOANRTFNCKFK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218348898	DCLIHYGXTMFJJA-UYFFUZAISA-N	249.442	4.537	0	10	BJAE	
CC1(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCCC1	2218361640	PFKRQLDTDKSFKO-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
C(CCC[C@H]1CNC12CCCCC2)CCC1CC1	2218727583	RIHDGOJGFXYTDL-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2CCC(C3CC3)CC2)CC1	2218896999	PIDSBUGMARMOGQ-AKBUMOGYSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCC1(C2CC2)CC=CC1	2219251818	YWZBZUHOYAXQRP-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(NCC[C@@H]2C[C@@H]2CC)cc1	2220929712	ROHRVIQKHCMAHY-JKSUJKDBSA-N	245.410	4.877	0	10	BJAE	
CCN(CC1(C)CC2(CCC2)C1)C1CCCCC1	2221066335	CGAOCJSYVZYSAA-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@]1(C)CC=C(C)CC1	2221613897	SQQYPKZAVKGKBT-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1	2221660179	IXABMTVSMZUHIL-MWDXBVQZSA-N	249.442	4.536	0	10	BJAE	
CC1=CC[C@@H](N[C@@H]2CCC3(CCCCC3)C2)CC1	2221668097	XKKPZDRUVWQBPD-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)c1c(C)cccc1C	2221998029	VXNLEQKPOIVCEC-RDJZCZTQSA-N	247.426	4.766	0	10	BJAE	
C[C@]1(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC(=O)C1	2222970013	ASSXSWCZDGYGKI-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(CNC2CCC2)C=CCCC1	2223591544	CKXFINVLNLCGNT-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@H](C)c1ccc(C)cc1	2223964836	ZQPZVOUGMFQUGJ-WBVHZDCISA-N	247.426	4.513	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC(=O)C1	2244844995	JWFQVDALGLNECI-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC1CC(C)(CC(=O)[C@H]2CCCC(C)(C)C2)C1	2246523078	NYXMVOZGBXMDDR-UYJPIKCFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1(C)CC(C)C1	2246557421	LSHUASSSWSSFNG-BBBYJDLNSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@H](O)CC[C@H]1CCCCC12CC2	2246630201	MHBXJBAFZXCCNU-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCC[C@@H]1C[C@@H]1C	2247176720	RGKAUZRFICPNDF-NUEKZKHPSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@@H]1CCC1(C)C)NC	2247312009	DTKVYQDUAVQCIP-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1CCC12CCC2	2247443790	LCYVWWORVPPJEW-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)c1csc(C2CC2)c1	2248074076	LGLJWDLAACSZIJ-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cccc(C(C)C)c1	2250370947	JVQQBJJFRMVYOZ-ZDUSSCGKSA-N	232.367	4.819	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCCN[C@H]1C	2250477050	SRGBJKSYFQPDAW-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@]1(C)C[C@H]1NCC[C@H](C)CCCC(C)C	2250526587	FJZBULOALVHOTJ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@](C)(O)CC1CC(CC(C)(C)C)C1	2251583501	WTHCXKZSMKYXLO-USPMSXPRSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](NCC)[C@H]1CC(C)(C)CCC1(C)C	2251679970	YYCYSZAUCCVGTC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](CC2CCCC2)C1=O	2251713036	QDVRNWQJYKTQEE-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@H]1CCCCC12CC2	2253805646	LNQXNYNWQVWFLL-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCC1([C@@H](CC[C@@H]2CCCCC23CC3)NC)CC1	2253856800	QXDWDRYFRKHXHI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)NCC[C@H]1CCCCC12CC2	2253883253	HTTQGRDDCFEKKY-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CN)(C[C@H]2CCC23CCC3)CC1	2254820909	FQQXQVOFEXENOK-HWOWSKLDSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC1(C)C)[C@@]1(C)C=CCCC1	2255015631	SQVZDMRNPLYKHJ-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@@H]1CCCC12CC2)CC1(C)CCCC1	2255250720	YWNXHSXKEZYCJS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
FCc1ccc(NCC[C@@H]2CCCC23CC3)cc1	2255291065	LYPLUJYVYNOBKX-AWEZNQCLSA-N	247.357	4.538	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1CC[C@@H]2C[C@H]2C1	2257313234	CMGUGUOCJDHFCO-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC[C@@]1(C)CC=CCC1	2257316228	QBEXKRQREOTEEJ-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CCCC[C@H]1Oc1cccc2c1CCCC2	2257474047	AHSJVCBWTPVYFD-XJKSGUPXSA-N	244.378	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@]23CCC[C@@H]2CC3)C1	2260575527	TXKRARPEIKJZOF-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1CC2	2260581228	DAZNQFRPKFZSIP-AIANPOQGSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@H](C[C@]23CCC[C@@H]2CC3)NCC)CC1	2260589443	YGRGRBMCHBJJKY-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(NC[C@]23CCC[C@@H]2CC3)cc(C)c1C	2260622718	MVXSPPOKAFSEGZ-NVXWUHKLSA-N	243.394	4.604	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(C[C@H]2C=CCCC2)C1	2261375115	KVAQHZAAXUCYIK-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@](C)(CC)C(F)F	2299838147	JYZXWNUUOUSIMF-SMDDNHRTSA-N	248.357	4.843	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H]1C(C)=CCC[C@@H]1C	2300684682	WVRTVHYMEIWUID-IMJJTQAJSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](C)N(C)CC=C(C)CCCC(C)C	2300889653	XIASDKJRZNCXFO-INIZCTEOSA-N	239.447	4.879	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CC=C(C)CC)NCC	2300907524	TZNXDIPYDCZZGV-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CCC(C)=CCCc1cc2ccccc2cn1	2300930088	WQVKAQBMKLMXDX-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)CC1CCCCCC1	2301200437	DQLARHNWMSSMNF-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
Cc1ccccc1-c1nc2c(s1)CCC[C@H]2C	2301280754	LGBZDHHMIVEDIL-LLVKDONJSA-N	243.375	4.558	0	10	BJAE	
CCCCCCc1c(C)cnc2ccccc12	2302228633	IGAQCPKPGHTFMM-UHFFFAOYSA-N	227.351	4.666	0	10	BJAE	
CC1(C)CCC[C@@H](CC[C@@]2(C)CCCCN2)C1	2302532651	VZQYHDYWDMSZQW-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@H]1CC[C@H]1C(C)(C)C	2303466854	ZTFHZFNLPXEADB-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@H](CCCCNC(C)(C)C)CC1	2303526314	QEUKWLLJZHWLHQ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@H](C)CC(C)(C)C)CC1	2303586103	ZYLWXICJQNNTIZ-MLGOLLRUSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1cccc(C(C)C)c1	2303669957	TWZKVSBRQXUYTI-MRXNPFEDSA-N	231.383	4.556	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cccc(C(C)C)c1	2303708678	QWOHMNCUKZKQIZ-CHWSQXEVSA-N	232.367	4.675	0	10	BJAE	
CC1CC(CC(=O)CC[C@@H]2CCC(C)(C)C2)C1	2304427660	GTJFKDLKJOCEIU-ROKHWSDSSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC[C@H]1CCC(C)(C)C1	2304448553	ZMMYJAWWWITJFZ-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCCCC1CC(N(C)C[C@H](CC)CCC)C1	2307901775	ZJRFIXIJCVJHFL-QQFBHYJXSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](CCC)CC[C@H]1N	2307902946	NCSUFHLZHBWSEK-ZJIFWQFVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC1CCCC1)NCC	2307905719	YWNSKDFFCBWBTR-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CN)CCCC12CCC2	2307907612	MLTWJOXBWYPBOF-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CC)C[C@H]1CC=CCC1	2310962721	OTCPNFWSZSKCBK-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(C[C@@]23CCC[C@@H]2C3)C1	2312543784	GNOLNKKZMBSCAL-HDEZJCGLSA-N	249.442	4.501	0	10	BJAE	
N[C@H]1CCCCCCC[C@@H]1C[C@@H]1C[C@H]2CC[C@@H]1C2	2313184698	KBQHQFXJPIVWID-BIVLZKPYSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](C[C@@]23CCCC[C@@H]2CC3)N1	2313334167	WXJWZTRRHIOVJG-QZWWFDLISA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC2CC2)CC12CCC2	2316278691	XUGQIXPBBWGMNW-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2316536581	MPKSDYNHRREGKF-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
N[C@H](CCC1=CCCCC1)CC[C@]12CCC[C@@H]1C2	2317972075	GUDLPIIFFFMFBC-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CC[C@@H]2C(C)(C)C)cc1	2320258171	KNUACSKZIAUDKW-GJZGRUSLSA-N	244.378	4.640	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)C12CC(CC(C)C)(C1)C2	2321585084	UHHGPUVKJRPIBD-ZGRYLRDCSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@H]2C[C@@H]3CCC[C@@H]32)c1F	2327805004	XUIKYVROWLQQOH-WHOFXGATSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1coc2ccccc12	2328210830	TUSMVFKLLFAOOY-WFASDCNBSA-N	246.350	4.683	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)c1cccc(C)c1	2328283486	XUFDPGYCPUOCIR-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(F)cc1	21789620	HQYSWISGHMMJSV-WQVCFCJDSA-N	249.373	4.698	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@@H](C)C1CCCCC1	37294631	YFRFOKLXVIEVLU-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](C)O[C@H](C)c1ccc(N)cc1	40909152	VGMJLZGYUPIULN-ZIAGYGMSSA-N	249.398	4.705	0	10	BJAE	
CCCN[C@H](c1cc2ccccc2o1)C(C)(C)C	62797984	LVYONNJXURSSAT-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccc(C)c(C)c1	70977612	NVEDIRRRWTYPLM-GOEBONIOSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCC(C)(C)C1	79982410	WJIZKTVLBCLGHE-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CC[C@H](N)c1ccccc1	80391100	FJSBTJZTHZCYGT-INMHGKMJSA-N	245.410	4.683	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CCCC[C@H]1C	85388146	REKBSWUFWLPGGT-MFKMUULPSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(C)c(C(=O)C2CCC(C)(C)CC2)c1	87940775	XENMDFSRBWYZRV-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCCCCC(C)(C)CNc1ccc(N)cc1C	94983576	CZCYGEWHWYBHSN-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](NC)c1ccccc1	103944113	IIQZYBRFZVDXFI-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
CCC[C@@H](CC)Nc1ccccc1C(F)(F)F	104181160	ZVFCNOXYHJHEEF-SNVBAGLBSA-N	245.288	4.696	0	10	BJAE	
CCCC[C@H](CC)CNc1cc(F)cc(F)c1	110159004	LHZBQWPPBQDERG-NSHDSACASA-N	241.325	4.593	0	10	BJAE	
CC[C@H](C)CC[C@@H]1C[C@H](C)Nc2ccccc21	125666616	JTYIOAYSSBEHSA-MELADBBJSA-N	231.383	4.801	0	10	BJAE	
CN[C@H](CCC(C)C)c1ccccc1C(C)(C)C	158760510	PNIXILLHGIJYMJ-MRXNPFEDSA-N	247.426	4.681	0	10	BJAE	
CC[C@H]1C(=O)[C@H]2CCCCCCCCCC[C@H]21	162331191	CTIBTCIYJOHPPQ-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H](C)C(C)(C)C)C1	166302342	NEPDYYSTPUPELV-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)C[C@]1(O)CCCC[C@@H]1C(C)(C)C	167601583	GTEVRXXHBCUEJP-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@H](C)C(C)C	229145731	VHBMTIHGQHDIRU-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)NCc1ccc(CC(C)C)cc1	230954996	CGEIYWUAPGHHDA-UHFFFAOYSA-N	247.426	4.553	0	10	BJAE	
CCc1cccc(N[C@@H]2CCC[C@H](C(C)C)C2)c1	230986324	VKBGXGQKYRBQHC-DOTOQJQBSA-N	245.410	4.876	0	10	BJAE	
CCC[C@@H](C)Oc1ccc([C@H](C)CC)cc1	233281998	LJXGDYJAPNAAEU-CHWSQXEVSA-N	220.356	4.768	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCCC2(C)C)C1	251648473	GIVKYQVLBRSNTK-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CCC2CCCC2)C[C@H]1C	253198589	VTPYPRDXLUIOPF-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CNc1cc(OC)ccc1C	302269658	GYSUCPKVEVVBMN-AWEZNQCLSA-N	249.398	4.632	0	10	BJAE	
CCOc1csc2c(Cl)c(Cl)ccc12	307296408	QYXLFJDDRJBJQG-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1ccc(Cl)s1	308006346	DERMZYYKLGISPW-CABZTGNLSA-N	246.803	4.507	0	10	BJAE	
CCC[C@H](C)n1ccc2cc(Cl)ccc21	308773105	WRCARXWSHZRKQI-JTQLQIEISA-N	221.731	4.656	0	10	BJAE	
C[C@H](NCCCC(C)(C)C)C1CCCCCC1	309986650	XNGSVFROVBDBSL-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(N[C@H](C)CCC(C)(C)C)cc1	310299462	NOQDZKOIYPYWPO-CYBMUJFWSA-N	233.399	4.876	0	10	BJAE	
CC[C@H]1CCC[C@@](CNC2CC2)(CC2CCC2)C1	317563869	CPRQYITWJJUOMF-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)[C@H](CC1CCC(C)(C)CC1)NC	380077296	RKZIIFJCZHIPJH-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC1(C)CCCC1	380686902	HTWXYWHNDNHFNU-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CCC1=CCCCC1)NCCC	384885498	WENCNSYOBMKEJP-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H]2NCC23CCCCCC3)C1	394639998	SVEOBGXDUJUHNY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CC[C@@H]2NCC23CCCCCC3)CC1	395086407	CYLZWCQGOWRFOH-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)C(CC)(CC)CC)C1	395115028	FSQIULFCCADZAX-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CCC(/C=C(/CN)C1CCCCC1)(CC)CC	395119820	JOJIXDSFPAVFHF-QINSGFPZSA-N	237.431	4.668	0	10	BJAE	
Cc1cocc1C(=O)C1CCC(C(C)(C)C)CC1	395413769	RTWFTXUFARKGDT-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
CC[C@@H](Nc1cscc1C)c1cccc(F)c1	395719875	NCDSBQPGFICLNP-CYBMUJFWSA-N	249.354	4.759	0	10	BJAE	
CCOc1ccc2scc(C)c2c1C(F)F	396234282	DMAWIZZIMFIYQM-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
Cc1sc2cccc(S)c2c1C(F)(F)F	396309120	STDWMCKUTVZHOH-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](CC2(C)CC2)NC)cc1	401533729	XBLNFVBHBCSYCT-CJNGLKHVSA-N	245.410	4.651	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1ccc(C)c(F)c1	691143828	ZITAWLQZRNRRBW-XJKSGUPXSA-N	249.373	4.905	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCCCC1CCCCC1	695150901	XXODDMUDCAUJDL-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C1CCCC1)C1CCC2(CC1)CC2	695613151	IROBRZLOOSKQNK-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CCC(C)(C)CC)NC(C)C	696766409	BCYMGQVXARLXLP-AWEZNQCLSA-N	227.436	4.760	0	10	BJAE	
CCC(C)(C)CCC[C@H](CNC)c1ccccc1	696805858	LISFHEMJYMIDSW-MRXNPFEDSA-N	247.426	4.596	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1C[C@H]1C(C)(C)C	699873645	ALSWYHPHBQPRJE-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@H](C)NCCCC2CCC2)cc1C	701564523	UOZYAOLSTVYEBX-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)c1cc2ccccc2o1	704673500	QHICXSXJFCJVEC-ABAIWWIYSA-N	246.350	4.539	0	10	BJAE	
CCC[C@](N)(C1CCC1)[C@@H]1CCCC[C@H]1CC	705364093	POBNAKUNVUGIKE-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CC[C@H]3CCC[C@H]32)c1	707855623	DHIZVPSRIJBPRJ-YRGRVCCFSA-N	249.785	4.639	0	10	BJAE	
CCCc1ccccc1[C@@H](NC)[C@H](C)CC(C)C	708300417	CNCQMCIIMVBUMH-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)C1=CCCCCCC1	708300550	DLMJHHMYMONBRY-UKRRQHHQSA-N	237.431	4.667	0	10	BJAE	
CCC(F)(F)C(C)(C)CNc1csc(C)c1	710711900	VFYJPOFXTFNKCG-UHFFFAOYSA-N	247.354	4.540	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C[C@H](C)C(C)(C)C	711200448	QLXPHQXWAWHVEH-ZNMIVQPWSA-N	241.463	4.848	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CC(C)(C)CC[C@H]1C	713027808	CSYPPQHHBPBTGX-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)CC(C)(C)CCNC(C)(C)C	713214637	YDKCFJXKHUOUCM-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C/CCC[C@H]1CC2CCC1CC2	713676278	YIUREMUUMWUIEE-XQWPFEOXSA-N	204.357	4.725	0	10	BJAE	
C1CCCC(CNC2(C3CCC3)CCC2)CCC1	717891877	BYMTYCKDRCESSS-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCc1ccccc1NCCC(C)=C(C)C	718508161	WUFDHMYNNAOOSW-UHFFFAOYSA-N	231.383	4.797	0	10	BJAE	
C[C@@H](C[C@H](N)CCCC(C)(F)F)CC(C)(C)C	718720563	AJZGMNTUPZJUSH-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
CCC[C@@H](NCC)[C@H](CC)CC1CCCCC1	720427947	WMHOKFGDCSEJHM-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H]1CC1(C)C)NCCC	723178064	JLKGXOMAENESDD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC1CC(C)(C)C1	723531486	KSNFIMSMMASHTN-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
c1cc(N[C@@H]2CCCC3(CC3)C2)cc(C2CC2)c1	723563228	QTWAWWGXJPDZMZ-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](C2CCCCC2)C2CC2)C1	723946644	FULXKMTZTJFKAT-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@H]2CC[C@H](C2)C1)C1CCCC1	1206246985	COMKCQYSBXABAF-FSDCSDTHSA-N	249.442	4.514	0	10	BJAE	
CCCCCN(Cc1ccccc1)CC(C)(C)C	1307462055	BKMZCXVCQBTSBL-UHFFFAOYSA-N	247.426	4.725	0	10	BJAE	
CC[C@@H](C)N(CC)Cc1cccc(C(C)(C)C)c1	1559991861	JAUUUPIXEZZXAQ-CQSZACIVSA-N	247.426	4.605	0	10	BJAE	
CCCC1CCC(CNCC2=CCCCC2)CC1	1662544283	SSFSTCIIKRZOPQ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCc1cscc1NC1C[C@H](C)C[C@@H](C)C1	1902377813	YLNHCRSIIKBZDO-GHMZBOCLSA-N	237.412	4.547	0	10	BJAE	
CC[C@](C)(CC=Cc1ccccc1)CNC(C)C	1912050570	XPNVXEOWPRRMJD-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
C[C@@H]1[C@@H](N[C@H]2CCC3(CCCCC3)C2)CC[C@H]1C	1915863941	BEEMTRNEBJJZOF-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCC3(CCCC3)C2)[C@H]1C	1916440907	FQEQCCOHHJKWQP-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@](C)(O)c1coc2ccccc12	1919949011	QNJFQMKPOMTWBQ-INIZCTEOSA-N	246.350	4.611	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC[C@@H]1CC1(C)C	1921417256	MWBWPOJQPYZYPR-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC1(C)C[C@H]1CC[C@]1(N)CCCC12CCCCC2	1921561529	GCUAPWRADUUSBG-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC1CCCC1)NC1C[C@H]2CCC[C@H](C1)C2	1923486477	GNLHXXZATSQADA-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C(=O)CCCC(C)(F)F)C1CCCCC1	1924085586	FVHZVBIGMGDNNJ-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)[C@@H](C)C2CCCCC2)c1	1924130101	LKHOAZOFDYEHBO-YOEHRIQHSA-N	245.410	4.520	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2C=CCCCC2)CC1	1925764589	BFKFNELEDBHNMR-JYJNAYRXSA-N	248.410	4.908	0	10	BJAE	
CC(F)(F)CCC[C@@H]1C=CCCCC1	1925816907	LDVKPBIWEIZEDH-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
CCc1ccc(NC[C@H]2C=CCCCC2)cc1C	1925944983	IBLIYNMZZCGKCL-HNNXBMFYSA-N	243.394	4.716	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)c1csc(Cl)c1	1933587192	MXBHHGVULPXLGT-KWQFWETISA-N	246.803	4.507	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@H](Nc1ccsc1)C2	1939222482	SHUOQZNTFBNNID-KWCYVHTRSA-N	235.396	4.519	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)C(C(C)C)C(C)C	1940247017	WPJWGFCKSPLMLO-LSDHHAIUSA-N	241.463	4.862	0	10	BJAE	
CC(C)CC[C@H](C)NC1(C2CCCCC2)CC1	1940488337	BXFIERPEOIHWKH-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](NCC(C)(C)C1CCCCC1)C(C)(C)C	1940762730	KVDYRGUCAQETOO-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H](C)C1CCC(N)CC1	1940965301	HGDFXEIFXUYAPF-QQFBHYJXSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@H](CC(C)C)C(C)C	1941266677	INOAZBZQTDDVLF-HZPDHXFCSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@H]([C@H](C)CCC(C)C)C1	1942657481	FTAQRDMGDMGIKL-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)c1cccc2sccc12	1945946548	AWJBDLZUUOSFCC-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@@H]2C(C)C)c1C	1947466648	ZHWHPWNVJZDHPA-ZBFHGGJFSA-N	231.383	4.540	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)[C@H](C)CC(C)C	1948324900	DHGQSNAJDUZMJR-DGCLKSJQSA-N	237.362	4.617	0	10	BJAE	
CC(C)CCC[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	1948584972	HBRZSYCLQSMIDT-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC(=O)c1cccc(S[C@@H]2CCC(C)(C)C2)c1	1949495090	DFXSUCHLHOTKGB-CQSZACIVSA-N	248.391	4.560	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@H]1CCC[C@@H](C)CC1)C(C)(C)C	1950925175	QYCWVEGZPDLOOT-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
C1=C[C@@H](N2CCCCC3(CCC3)C2)CCCCC1	1966437067	UEMNVECTYDUMHZ-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1cccc(C2(C)CC2)c1	1967832816	SZMOUPVNOGMWSU-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
C[C@H](CN1CCCc2ccccc21)CC(C)(C)C	1968233621	RLRUXOIISRWDDY-AWEZNQCLSA-N	245.410	4.512	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1cccc(Cl)c1	1968260441	PUKFLNDYQOAAJQ-GFCCVEGCSA-N	239.790	4.967	0	10	BJAE	
CCC1CCC(CNc2cc(F)ccc2C)CC1	1968313261	ZICZSDXWABFTQB-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CCCCC1CC(Nc2ccc3c(c2)CCC3)C1	1968359076	UUPHYRDRUDFYRR-UHFFFAOYSA-N	243.394	4.556	0	10	BJAE	
C[C@@H](CN(C)[C@@H]1CCCCC1(C)C)C(C)(C)C	1970181993	VBLSREHCXIYVTE-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCC(C)(C)C[C@@H]1C	1973163971	MPWPDZGSVDLZIM-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCCC1)NCCC1CC2(CCC2)C1	1973743450	KJZFNKJKHFNJIA-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CCC=C(C)C	1978428739	QBPNBJIDLJBWDI-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@H](NCC)C1(CCC)CCC1	1978562609	HPEWROUXGARZCP-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1csc(C(F)F)c1	1978583725	YOIGNAAVHKNSIF-SNVBAGLBSA-N	247.354	4.512	0	10	BJAE	
CC(C)CCC[C@@H]1CCCCCCC[C@H]1O	1980352947	WSLYTVYQEZGYAM-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
Cc1cscc1C(=O)CC(C(C)C)C(C)C	1988296077	SQPGBFZQSIJVBK-UHFFFAOYSA-N	238.396	4.558	0	10	BJAE	
CC(C)=C(C)COc1ccccc1C(C)C	1989654897	HLIUMUPWHPOLPF-UHFFFAOYSA-N	218.340	4.545	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cccnc1Cl	1990099456	VXBOVDGBAXDDPM-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C1CCCCC1	1995214350	LHHRTFSZYWZBRG-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCCC2CC2)CC1	1997101911	CAXIKLLUHVIKMK-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CCC=C(C)C)CC1	1997106404	UPMBTTYXJNABND-OWCLPIDISA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@]1(C)CC=CCC1	1997582916	HDNLOFDRLUOAEK-ARFHVFGLSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC=CCCC1)CC(C)C	1999996481	PCZJAFMBLGZTEQ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@H](CCCC1(C)CC1)NC	2000335721	ZYYTWUIEKHOKLD-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C1(C(C)C)CCC1	2000391103	UIJQUDIESLGIHY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)CC1CCCC1	2000515003	YDBANPZCGIELAZ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCC12CCC2)CC(C)(C)C	2001867215	XSUYEPCZICHUKW-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC([C@](C)(O)[C@H](C)[C@H](C)CC)CC1	2002929332	LJFQCOIQEJZDNB-BKAAIYKLSA-N	240.431	4.636	0	10	BJAE	
C1CCCCC(NCC2CCCCC2)CCC1	2003101205	VQOPOLYJNHHZNN-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCC[C@@](O)(C[C@H]1CCC2(CC2)C1)C(C)(C)C	2003197232	KBLQGUDOUAOLFG-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CCC2(CC2)C1	2003286651	YTVRWIAVMGOWIR-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](C)[C@@H](NC)C1	2006962455	QYWCTSWRZHYVRU-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@@](C)(CC)CNC(C)(C)C)C1	2007738220	LNUUJVUNSINGOV-ZBCRRDGASA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@@](O)(CC)C2CCCCC2)C1	2007755815	BZXVILBNORFKAQ-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@H](C)CCC	2007942587	KHXZCOGLURQEQH-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCC1(CC)CC(O)(CCC[C@@H]2CC2(C)C)C1	2009298947	LYJHQXPBYHMMQZ-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H](C)C1CCCC1	2009616165	GMTFYVNFFCDQOY-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCC1CC(N[C@H]2CCCCC[C@H]2CC)C1	2009788597	WYTOGGWRGUUGAP-KNIAUWFNSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@H]1CCCCCC12CC2	2011275865	WKZAELRWECBQIR-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
C/C=C/CCCN[C@H]1CCCCC[C@@H]1C(C)C	2011438769	TUXLGOBOCMANRT-SGFLJFKBSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](N)(CCC(C)C)[C@H]1CCCC(C)(C)C1	2013271741	VESSQHYKJGKTPZ-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCCC(C)(C)N[C@@H]1CCC12CCCCC2	2013529449	XGPUQGDNGBQREE-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(O)CCCCCC1CC1	2014906216	ZQUVSAOQVZMMLZ-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)[C@@H]1CCCC(C)(C)CC1	2015291496	SSKNOHFUDGVUPS-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CC(C)C(CC(=O)[C@H]1C[C@@H]1C(C)(C)C)C(C)C	2015377599	RTBSEOMWMXDDPE-KBPBESRZSA-N	238.415	4.556	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@]2(C)C[C@H]2C)CC1	2016431275	ZBNCVUARRQIVBQ-UWLZSVRSSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CC[C@@H]1C[C@@H]1C	2017244310	IPXKDKALDPBWHU-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN[C@]1(C)CCCC(C)(C)C1	2017612366	HYHMMIUYUWQMPO-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)CCC(C)(C)C)CC1	2017654167	BDIAHSWGVQTMQG-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(C[C@](C)(N)[C@@H](C)CC)CC1	2017719771	CWMPPXRJKIWKNT-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CC[C@H](CC)CC1)NC	2017720135	FREVXXPTWAGURT-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(C[C@H]2CC[C@H](CC)CC2)C1	2017732311	ZYVQYKSYCRAXTL-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CC[C@H](CN)CCC)CC1	2017732741	DJVRXMQXEWODLV-UYSNPLJNSA-N	239.447	4.748	0	10	BJAE	
Cc1ccc(OC[C@H]2CC[C@H](C)CC2)c(C)c1	2017774725	RZIQNFVATCSFHZ-NNUKFRKNSA-N	232.367	4.509	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CCC[C@@H](C)CC2)CC1	2018971194	WUYWNPUTHSRJOQ-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CN(C1CCCCCC1)[C@@H](C)C(C)C	2020501244	GOSCYZCFXVGCFK-HNNXBMFYSA-N	239.447	4.712	0	10	BJAE	
c1ccc(C2CCC2)c(NCCCC2CC2)c1	2021026706	BNAAIPLGKQCWPM-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1C[C@@H]1C(C)C)NCC	2022487011	ZONGHSOCVZXJRN-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)[C@@]1(C)C=CCCC1	2023176246	KJTZQPQHMUWPMP-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
CC=CCCC[C@@H]1CCC[C@H](C)[C@H]1NCCC	2024001565	SIBWDVLDAHBTGH-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@](C)(CC)C[C@@H]1CCCC(C)(C)C1	2024093696	DLMWHDVIIFIGBT-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
Clc1ccc2[nH]c([C@@]34CCCC[C@@H]3C4)cc2c1	2024286479	KZUKJZCPGZNHIX-IAQYHMDHSA-N	245.753	4.653	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@H]1CC12CCC2	2026166787	MKJCPSHYBOKPQF-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CC1CC=CC1)NC	2026167934	WDANVAUXFLLLPM-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CNCCC1=C1CCC(C(C)(C)C)CC1	2028114478	HJOLCJAHEHBQPU-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1ccc2ccccc2c1	2028267440	ZJTXIBUNFUBLBR-IRXDYDNUSA-N	241.378	4.522	0	10	BJAE	
CC[C@H](C[C@H](O)C=Cc1ccccc1)C(C)(C)C	2028588404	NYKFJXZQYFHNBQ-HZPDHXFCSA-N	246.394	4.523	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1ccccc1C1CCC1	2029079002	SJOFMSJUGQBIPT-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)CCCc1ccccc1	2029839128	XGQGGFHUTXSSGH-HNNXBMFYSA-N	246.394	4.651	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@H]2CCC(C)(C)C2)cc1	2033405488	ZXJPWULACRUZAW-JKSUJKDBSA-N	245.410	4.636	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)C12CCC(CC1)C2(C)C	2033440710	AWVGQTTVFCQIBU-YRFCHQJDSA-N	248.410	4.598	0	10	BJAE	
CCc1occ(C)c1C(=O)CCCCCC1CC1	2035536908	VWFOQRMHVXSUHQ-UHFFFAOYSA-N	248.366	4.694	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)C1(C)CCCCC1	2035576648	REJDOPLVIMIBQM-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@](N)(C1=CCCCCC1)C2	2037101111	SBUACSHUVLPSHS-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1C[C@H]2C=C[C@H]1CC2	2037159377	NGZIJFXEQRPNHV-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)[C@H]1CC2CCC1CC2	2037172944	UPCQXZSQSWJNQF-SJJHQCBESA-N	249.442	4.667	0	10	BJAE	
CC1CCC2(CC1)CC(Nc1ccc(F)cc1)C2	2038935293	ZFGDKKZQUAOZNQ-UHFFFAOYSA-N	247.357	4.597	0	10	BJAE	
CNC[C@@]1(CC2=CCCC2)CCCC(C)(C)CC1	2039383200	GHASHABYUUZIBQ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
O[C@@]1(C[C@H]2C=CCC2)CCCC2(CCCCC2)C1	2040763035	LELOSTZQIKKDMT-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NCC12CCC(CC1)C2	2041837384	NHJYSDSJAIZUTK-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H](C)C1CC(C)(C)C1	2043547417	PUVKVEXOHFBQOG-UONOGXRCSA-N	249.442	4.680	0	10	BJAE	
CN([C@@H]1CCCC(C)(C)C1)[C@@H]1CCC2(CCC2)C1	2045521086	SKXPNNYJTXTEDH-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@H](C)c1ccccc1	2045555064	BGADOHCUYVHGIC-HNNXBMFYSA-N	244.378	4.886	0	10	BJAE	
CC[C@@H]1C[C@H]1CC1(N)CCC2(CCCCC2)CC1	2045656477	BDEACQNUPWIWJU-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)c1cccc(C)c1C	2045731355	XXUAHDWOCRRWHP-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC(C)=C(C)CCN1c2ccccc2CC[C@@H]1C	2046577902	VRMIEZASDFZBKS-HNNXBMFYSA-N	243.394	4.574	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)C[C@@H]1CC12CCCC2	2047008198	MRMQVIMCWVDNFF-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@H]1CCCC12CCC2	2048868132	DPURYDPURNRVNT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@H]1CCC2(CC2)C1	2049848714	LDQLRCGWXLKHQD-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1CCC2(CC2)C1	2049937905	LGZJHSWDCCKOHU-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CC(=O)c1cccc(C)c1	2050455694	IJSIKHHBWAZASI-CABCVRRESA-N	244.378	4.784	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC1=CCCCCCC1	2050456008	MEPJCWWIDUNWOG-KRWDZBQOSA-N	243.394	4.666	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC[C@H]1C=CCCCC1	2050461202	RNDITHGIIZVHRA-RDJZCZTQSA-N	243.394	4.521	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCC[C@@H]3CC[C@H]32)CC1	2052279694	KWXHOCAAEABIRP-OWUKFGMTSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]3CC[C@@H]32)CC1	2052282763	YDXSCOPEEPQOQS-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC1(CN[C@@H]2CCC23CCC3)CCCCCCC1	2052501034	QKLWWBHCYZBVGJ-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
O[C@@]1(C[C@@H]2CCC=CCCC2)CCCCC12CC2	2053314991	JWECUGJCFXOPJW-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC(CC(=O)C[C@@H]2CCC23CCC3)C1	2056667486	GZLYFIJSJDTCKU-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(Nc2ccc(C)c(F)c2)C1	2059397672	MJOIYNHALUNCGX-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2CC23CCCC3)C1	2059489756	IIAZARVHHJTSMC-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CCC1([C@H](NC)C2=CCC(C)(C)CC2)CCCC1	2061140356	MQKYQTCFULHVTN-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)CC1CC(=C2CCC2)C1	2061696100	MCRKJXAXZYBTNX-HOTGVXAUSA-N	246.394	4.518	0	10	BJAE	
CC[C@H](N[C@H]1CCCC(C)=C1C)c1occc1C	2063681943	VASSTIIDOODKOI-GJZGRUSLSA-N	247.382	4.518	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CCCC2)C1(C)CCCC1	2067571839	WREKEYGSCQRMLL-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2(CC3CCC3)CC2)C1	2069581225	PYIXWPDVKFSSSQ-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC1CC2(C1)CC(C)(C)C2	2070408515	PJOYUMCJISBQJD-CQSZACIVSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2071194979	XWNBDFOLLSAZCB-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CC=C(C(C)(C)C)CC2)C1	2074892826	PTPIPTRNSVBTAD-HOCLYGCPSA-N	249.442	4.633	0	10	BJAE	
CNCC1([C@@H]2C=CCCCC2)CCC(C)(C)CC1	2075365874	SRPQZZJLOZLAJL-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1cc(C)cc(C)c1	2077190413	RDFMJBJUNKHMSK-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CC(C)[C@@H](Nc1ccccc1C1CCC1)C1CC1	2077264155	LCUOYKFPMZEWOA-QGZVFWFLSA-N	243.394	4.801	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccccc1C1CC1	2077264329	PKVSCOLMLLBOFD-IGCXYCKISA-N	243.394	4.801	0	10	BJAE	
CCCCCc1ccc([C@@H](N)CC2CCCC2)o1	2077987553	WBOWVLUAIUQELO-HNNXBMFYSA-N	249.398	4.592	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H]2CCC3(CC3)C2)CC1	2078334767	NOJYEPHPHBGUAJ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1C[C@H]1C1CCCC1	2079433860	CHOVIWMXIYJCSE-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](CC1=CCCCC1)NCC	2079632549	IFCHOAVBPVJMCL-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H]1C[C@@H]1CCC	2079840721	DQZAHBYVGVASPE-GJZGRUSLSA-N	244.378	4.648	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@H]2C[C@@H]2C(C)(C)C)cc1	2079851452	LGRAGSNOPGXCSQ-CABCVRRESA-N	244.378	4.640	0	10	BJAE	
CCC(CC)CC(=O)Cc1cc(C)cc(C)c1C	2082952360	INXWXAHARLBFFU-UHFFFAOYSA-N	246.394	4.550	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)CC23CCCCC3)C1	2082978675	ISIGWVKZABXXEL-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)CCCC3(CC3)C2)C1	2082982883	OBTGEQIMIJQDOI-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
FC1(F)CC[C@@H](C/C=C/c2ccccc2)C1	2210662336	MTJXMLARRUJMSQ-WXJAXGNASA-N	222.278	4.525	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](Nc2ccsc2)C1	2212099509	FRFDUEHGTNPUKN-NEPJUHHUSA-N	237.412	4.765	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@H]1C[C@H](CC(C)(C)C)C1	2213119707	WLLOSIKNWKBYSK-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CCCCCCC2CC2)C1	2213580201	KAZXNIVKFFJWGR-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
C[C@@]1(C(F)(F)F)C[C@@H]1CC=Cc1ccccc1	2213823773	XMYLMFKDGQEEJV-QWHCGFSZSA-N	240.268	4.678	0	10	BJAE	
C(=Cc1ccccc1)C[C@H]1[C@H]2CCCCC[C@@H]12	2213825248	RDLRJDGBRLQXOP-BJWYYQGGSA-N	226.363	4.916	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@H]1CCCC[C@H]1CC	2215356299	CHLRTNPRIBUJQM-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC)CC(O)(CC2(C)CC(C)(C)C2)C1	2215463565	BXHYKBWIZTTYES-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@](O)(CCCCC(F)F)C1CCCCC1	2216458394	RUAFUSFUANPZFH-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H](C)NCC1(C[C@H](C)C(C)(C)C)CCC1	2217125900	BPBYVXPZAJLEPY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@](C)(CN[C@H](C)CC)C1CC1	2217134429	GHRAVCKKQJLOKC-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@]1(N)CC1C[C@H]2CCC[C@H](C1)C2	2218356332	LVIWAXLZCOOZMM-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
COC[C@@H]1CC[C@H](CCC=Cc2ccccc2)C1	2219069739	LFIBXTHHQWPTFU-DLBZAZTESA-N	244.378	4.543	0	10	BJAE	
FC(F)c1cccc(CC=Cc2ccccc2)c1	2219073325	HALPWHJYXFDNSC-UHFFFAOYSA-N	244.284	4.880	0	10	BJAE	
N[C@@H](C[C@H]1CCC2(CCCC2)C1)C1CCCCC1	2220304769	GTAUYUJSOGEZEG-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)[C@]1(C)C=CCCC1	2220882117	WDZUIJBEARQPGX-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC1(C)CC2(CCC2)C1	2221082972	FCEROQLRFZMRGQ-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@]2(C)CC=C(C)CC2)C1	2221632276	PVTBLHCXCVIJHD-YYIAUSFCSA-N	249.442	4.667	0	10	BJAE	
C(CC[C@@H]1CC[C@H]2CCCC[C@H]2C1)CNC1CC1	2222932428	FIPSEULYOJHBQU-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(NCCCCCCCC2CC2)C=CCCC1	2223120521	QJDYJWBSDYLACS-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1ccc(C2CCC2)cc1	2223681076	LGQMNRBCIDIASC-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CCCC[C@H](O)CCC[C@H]1CCC[C@H](C)C1	2242809942	ASQFEEMRNJNTDK-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
Cc1sc(C[C@H]2C=CCCCC2)c(C)c1C	2242857313	SPFYRUKTZXNECZ-AWEZNQCLSA-N	234.408	4.962	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(O)C(C)C	2244851003	IWXWDODCTNDDDW-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@H](C)C(=O)CC[C@@H]1CCC[C@H](C)C1	2246677567	DBEUFYODJOPOAV-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@](N)(CC)CC1CC2(CCCC2)C1	2246818949	LSEOGBQQEOAGBK-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@](C)(O)C1(C)CCCC1	2247129764	QJYVLWSXOFQILA-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1CCC12CCC2	2247426376	XGBPEZGFBFFDJA-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CCNCCCCC[C@@H]1C[C@@H]1C	2248868432	BEOUULRZGVATLT-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCCCC1CC(NC[C@H](CC)CCC)C1	2250382039	CFNDLOAUFCZPJW-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCN[C@@H](C)C1	2250478057	DXEDRKDXSPOROG-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C1=CCC(Cc2cccc(C3CCCC3)c2)C1	2251256746	CCFPSIFHOLZJLQ-UHFFFAOYSA-N	226.363	4.853	0	10	BJAE	
CN[C@H](CC[C@H]1CCCCC12CC2)C1CCCC1	2253853384	LFMCSAFWWJKDBW-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNCC[C@@H]2CC=CCC2)C1	2253950788	GINARMTZYQDRGW-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC1CC2(C1)CC(N[C@H](C)C1CCCCCC1)C2	2254162035	WROZXITWAVYVFI-FBZFNHGYSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C(=O)CCCC[C@@H]2C[C@@H]2C)c1C	2254586845	DFOVPUHMWFESKW-DZGCQCFKSA-N	244.378	4.703	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H](N)C[C@@H]1CCCCC12CC2	2255014189	PQSCQODLMAVMDJ-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CCC23CCC3)CC1	2255030224	XXQMMBWFPLBFLA-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc([C@@H](N)CCCCC2CC2)cc1	2256291854	JIRRNLMLULQEGB-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCCc1ccc(CN(C)[C@H](C)[C@H](C)CC)cc1	2256318066	PJGSGKDYCTWORE-HUUCEWRRSA-N	247.426	4.506	0	10	BJAE	
Cc1ccc(NCCCCC[C@@H]2C[C@H]2C)c(F)c1	2257330003	UAHHJOPYLCTYMR-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
O[C@H](C1=CCCCCCC1)[C@]12CCCC[C@@H]1CC2	2260517176	AHMFISPEYNOWML-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@@]12CCCC[C@@H]1CC2	2260525049	RKYQOQWNXSMGDY-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(NC[C@@]23CCCC[C@H]2CC3)c1	2260622579	MMUMUDXTYIBSDB-RDJZCZTQSA-N	243.394	4.686	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)C[C@]12CCCC[C@@H]1CC2	2260677356	FDPVINGHNBIASK-YALNPMBYSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCC[C@@H]1c1cccc(C2CCCC2)c1	2260736338	WGHLVIPEALUDLL-MRXNPFEDSA-N	242.362	4.571	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CC[C@H]1CCC[C@@H](C)C1	2298256264	DSRHLNPQJLPNOT-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
Clc1ccc(C2CC2)cc1N[C@@H]1C=CCCC1	2300672294	TYKHJUNTCDCTFW-CYBMUJFWSA-N	247.769	4.738	0	10	BJAE	
C[C@@H]1C[C@H](Nc2cc(C3CC3)ccc2Cl)[C@@H]1C	2300674466	VBEZUAIIDKIBIO-RULNRJAQSA-N	249.785	4.674	0	10	BJAE	
CCC[C@H]1C[C@@H]1NCC=C(C)CCCC(C)C	2300864789	FKSWIPASJXFDAE-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H](C)[C@H](C)C(C)C	2301960779	DXUZKKZLBBMNCZ-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](CNCCCC1=CCCCC1)C(C)C	2302308629	CIYLJIXEUXOWOE-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
Cc1csc([C@H](N)CCCC2=CCCCC2)c1	2302344276	DDSDSHVAGVLSIX-CQSZACIVSA-N	249.423	4.727	0	10	BJAE	
CCC(CC)CC(=O)CC[C@@H]1CC[C@H]1C1CC1	2303115341	SHSLOSUQYDSTMR-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)[C@@H]1CC[C@H]1C(C)(C)C	2303400158	DIPQHMNGZKGHJD-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@@](N)(CCCCCC2CC2)CC1	2303469970	HWWUIXYDVVJIIU-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@H](C)C(C)C)c1	2303716708	AYARPSQBNNKGOS-XJKSGUPXSA-N	234.383	4.526	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1CCCC(F)(F)C1	2307751453	GXXRZVVSOGHLNC-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCCCC1(C)C	2307825481	BKPHNDWPNJRIMF-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)CC1CCCCC1	2307832747	WDSZMJIQEMNJSN-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1C[C@@H]2CCCC[C@]2(C)C1	2308394575	FYRKGZSBTRPLFD-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](NCC)[C@@]1(C)CC=CCC1	2311564343	AQWQMYXQLGRFMC-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](C[C@@H]2C[C@H]2C2CCCC2)CC1	2311610330	MWGUXZZETAWORT-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H]2C[C@H]3C[C@@H]2C3)CC1	2312544982	BMHXBGAKOHEATB-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H]1C[C@@H]2CC[C@H]1C2	2312898524	IIVCULOTYVZEHI-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)C[C@@]23CCC[C@@H]2CC3)C1	2313335050	QTFXTYPEOIUNPU-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@H]1CCNc2ccc(F)cc21	2313621619	AFBPEHKUWBFTSS-BXUZGUMPSA-N	247.357	4.551	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1cc(C(C)C)ccc1C	2315874986	RDLUFIPVFSSPNV-JKSUJKDBSA-N	245.410	4.967	0	10	BJAE	
CCC(CC)CC[C@H](O)CCc1ccccc1C	2316247351	CTZKYGCNEAMBMT-KRWDZBQOSA-N	248.410	4.505	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1C[C@@H]2CCC[C@@H]21	2316503164	OOGVOWXLERBBQM-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1[C@H]2CCCC[C@H]21	2316505031	ZDJSMAMHJTUHAU-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2316883967	FDGGTASDLSLSMT-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](N)CCC2CCCCCC2)c1	2317017215	ZBZLQKKUJGNZPO-QGZVFWFLSA-N	245.410	4.745	0	10	BJAE	
CC1(C)CCC[C@]1(C)NCCCC1=CCCCC1	2318574295	YTGUTZLVGWIGDM-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
O[C@H](CCCCC1CC1)CC1CC(=C2CCC2)C1	2318880655	VPKXGPLVUSQLBU-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCc3cc(N)ccc32)C1	2319136099	RVXBIFPQPVSFFB-CHWSQXEVSA-N	243.394	4.515	0	10	BJAE	
Cc1cccc(F)c1C(=O)C[C@@H]1CCC(C)(C)C1	2319287440	WLAJAKCEGGTSMT-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCC(C)(C)C2)c(F)c1	2319292710	IRKZHARVAPNHNB-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC1=C(C)C[C@H](CNCCCC[C@H]2C[C@@H]2C)CC1	2320373050	NKZLBIFULRTQGB-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](CNC[C@H]2CCC(C)(C)C2)CC1	2320373493	SLYATNRBAMYUJU-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H](C)c2cccc(C)c2)CC1	2320410813	AVASFJOQQWLKIJ-WBVHZDCISA-N	243.394	4.535	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C[C@H]2CC=CCC2)c1	2320513491	BCBUXCQWSNOSEK-YOEHRIQHSA-N	243.394	4.556	0	10	BJAE	
CC(C)c1cccc([C@@H](N)CCC[C@@H]2C[C@H]2C)c1	2320521321	PCCIDMHYJVNMEQ-UNEWFSDZSA-N	245.410	4.636	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2CCCC23CC3)C1	2321637983	XHMUOMHIENJDIM-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(OCC)cc1	20519917	ZAFLXLTYTAEIGN-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
CCCCCCN[C@@H]1CCCC[C@@H]1C(C)(C)C	22147766	AQWYASVCPHPRNQ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCNc1ccc(-c2ccccc2)cc1	35022246	PXDOOLWSDBBXQK-UHFFFAOYSA-N	239.362	4.812	0	10	BJAE	
c1cc2cc(NCC3CCCC3)ccc2s1	50271651	GPKUFWBNMVTMEN-UHFFFAOYSA-N	231.364	4.503	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)c1cccc(C)c1C	68848770	ZJYDPSQRRJNCCJ-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
C[C@H](c1cc(Cl)cc(Cl)c1)C(F)(F)F	75839680	RXRAEJJCGSWOSR-RXMQYKEDSA-N	243.055	4.659	0	10	BJAE	
CCN[C@H](C)CC(C)(C)[C@H]1CCC[C@H](CC)C1	84417163	UTSAFWIIEORJDZ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Oc1ccccc1Cl	85149820	BUKCGPLNDBKAGQ-WCQYABFASA-N	238.758	4.688	0	10	BJAE	
CCc1ccc(-c2c(C)cccc2Cl)cc1	85389097	NDDLQKIURLUOOM-UHFFFAOYSA-N	230.738	4.878	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H](C)[C@@H](C)CC)CC1	86945173	XXVYIJOPSGJDTE-JONQDZQNSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](CC)c1cc2c(C)ccc(C)c2o1	88074265	QHJFWIJJTFWVSY-AWEZNQCLSA-N	245.366	4.500	0	10	BJAE	
Cc1ccc([C@@H](Nc2ccsc2)C2CC2)cc1	90866829	PGZHDIKSONPINP-OAHLLOKOSA-N	243.375	4.620	0	10	BJAE	
CCC[C@H](C)c1ccc([C@H](C)CCC)c(N)c1N	95930831	MIZDJFUBTLMGHJ-TXEJJXNPSA-N	248.414	4.658	0	10	BJAE	
CCC[C@@H](CC)N[C@H]1CCCC[C@@H]1C(C)(C)C	109944962	DNQWJPGYXQLPQA-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H](C)C[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	109996543	HOEYZWKIRMFDEQ-BARDWOONSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)CC[C@H]1C[C@H](C)Nc2ccccc21	125667023	JTYIOAYSSBEHSA-IHRRRGAJSA-N	231.383	4.801	0	10	BJAE	
CCCCC[C@H](CNC(C)(C)C)C1CCCC1	128313437	DHPZFMDWFQLYDV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCCCC(=O)c1sc(C)cc1C	133695850	IARMBYLVTROLKY-UHFFFAOYSA-N	224.369	4.518	0	10	BJAE	
O=C(O)CCCCCCCCCCCC1CC1	140172140	IYMLTARBHHTWRE-UHFFFAOYSA-N	240.387	4.772	0	10	BJAE	
CCNc1ccc(C2CCCCCC2)cc1	147931989	HGGJRQQVZVCPPT-UHFFFAOYSA-N	217.356	4.556	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@H](C)c2ccccc2)CC(C)(C)C1	159807259	WIVXLGBRRYXYGB-IIAWOOMASA-N	245.410	4.552	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)c1ccccc1	161936011	UILSOIHXQKFDFZ-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CCCCCC[C@H](CCCc1ccccc1)NC	163211216	PGQODQHUXYLZRN-QGZVFWFLSA-N	247.426	4.568	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1ccc(CC(C)C)cc1	167231545	DXODDAGRYAFEMQ-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCCCC1CCCC1	225057554	NNRBNMNMUDZECI-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@@H]1CC	225978450	PABBREWRFQLCMN-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CC2CCC2)cc1	232154959	MFCYEGVURIHALK-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CC[C@H](C)c1ccc2oc(C(=O)C(C)C)cc2c1	232359310	YVCLMVCDXLAVJD-NSHDSACASA-N	244.334	4.785	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@H](C)CCC)NC	253050930	UTICBKHXGJVUSG-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@H]2CCCCC2(C)C)C1	300287939	QCEPDPKJECNZMK-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1n1ccc2ccccc21	301321510	LVHPJFJQQQDAFA-HIFRSBDPSA-N	227.351	4.783	0	10	BJAE	
CC[C@@](CO)(CCCC(C)(C)C)c1ccccc1	302291759	LFPVPHPBKJTEEF-KRWDZBQOSA-N	248.410	4.543	0	10	BJAE	
Cc1ccc2ccn(C[C@H](C)CC(C)C)c2c1	302292152	GMRXEFZNOBEYBE-CQSZACIVSA-N	229.367	4.632	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)CCC(C)(C)C	304428062	SAMGZNPKRBATKB-OLZOCXBDSA-N	227.436	4.616	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@](N)(CCC2CCCCC2)C1	305898070	SSZQDWPSOMIPSM-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC1CCC(C[C@@H](O)CCC2CCCC2)CC1	310102729	BXWLEGQUYDUFEH-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCC1(CNc2ccccc2C(C)(C)C)CCC1	310943288	KFXFHSKYRLMDGE-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
C[C@@H]1C[C@@H](NCCCC(C)(C)C)CC(C)(C)C1	313252994	MKGUFGNJHMZAAO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@]1(CNC(C)(C)C)CC[C@H](CC)C1	317774232	BWBFTMUVMPEWGH-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCSc1ccccc1N[C@H](CC)[C@H]1C[C@H]1C	322101730	YMIVYASTFSWMAD-FRRDWIJNSA-N	249.423	4.645	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@@H](C)CC(C)C)CC1	379645981	YBEYVESBTBEOGP-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
Clc1cccc2c3c([nH]c12)C1(CCCC1)CC3	383028773	AIEVBVDAFMDELX-UHFFFAOYSA-N	245.753	4.579	0	10	BJAE	
CCCC1([C@@H](O)C[C@H](C)C2CCCCC2)CC1	383729924	ZZLHVLISRAOFFQ-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H]1CCc2ccccc2C1=O	384551104	WEUBGUXYZPJMJV-HIFRSBDPSA-N	244.378	4.504	0	10	BJAE	
CC1(C[C@@H]2CCCC[C@H]2CNC2CC2)CCCC1	385582705	AUZDZSPIGCJOBX-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Nc1cccc2ccsc12	386217476	IYTRERYOANWWOO-PWSUYJOCSA-N	231.364	4.502	0	10	BJAE	
CC(C)(C)c1ccc(NCCCC2CC2)cc1	394667226	QNWRUKONUKDSNI-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CCC1CCCCC1	395112818	DFRXZZWQZVPECL-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
Cc1sc(-c2ccccc2)nc1C1CCCC1	395770631	PBOYXOTWEGVXQA-UHFFFAOYSA-N	243.375	4.776	0	10	BJAE	
CCOc1csc2ccc(CC)c(Cl)c12	396190173	NBCPFRPASNXVCF-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1ccc(CC)c(C(=O)[C@@H](C)C(C)(C)C)c1	399034340	NSALMZMPRKBYLI-GFCCVEGCSA-N	246.394	4.676	0	10	BJAE	
C1=C(CCCCc2ccccc2)CCC1	401103472	LHYLNZUONVWGBD-UHFFFAOYSA-N	200.325	4.510	0	10	BJAE	
CC[C@@H]1CC[C@@](CCCC2CC2)(CNC2CC2)C1	405984719	BSBKDUAGPVCPHO-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC(C)(C)c1ccccc1	686723397	SXMIRJVTZDJFLU-OAHLLOKOSA-N	247.426	4.508	0	10	BJAE	
O=C(CCCC1CCC1)CC1CCCCCC1	688895606	QUZNHPAQZQRZQD-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(C)c1cccc([C@]2(N)CCCC(C)(C)C2)c1	688921815	RTZPBAKIQQAJBG-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC(C)[C@@H](NCCCC1CCC1)c1ccccc1	689013401	RVNMVGJZABITPQ-QGZVFWFLSA-N	245.410	4.554	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H]1CCC[C@H]1C	690188578	WGCVYTVIGZCSNL-CJNGLKHVSA-N	245.410	4.720	0	10	BJAE	
CCC[C@@H](C)CC1(CNC2CC2)CC2(CCC2)C1	691486084	SOCSMGWBFVMPRV-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C(=O)c1csc2ccccc12)C1CCC1	692678818	OWFSLMVHQNSFFH-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](C)c1ccc(C)cc1	695062512	REDXSIRKNHSHHN-NVXWUHKLSA-N	247.426	4.513	0	10	BJAE	
CCN[C@H](CC(C)C)[C@@H](CC)c1ccc(C)cc1	695078331	MMZZLIDEONRTEM-DLBZAZTESA-N	247.426	4.513	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCCC[C@@H]2C2CC2)c1	696108146	YMBJWIXOLAXHKE-CVEARBPZSA-N	247.357	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@H](C(C)C)CCC1=O	696741155	STRGJUFYVSBUNY-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCCNCC/C=C(\C)CCC(C)(C)CC	696798518	BYKSWSIGYINROL-NTEUORMPSA-N	225.420	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CCC(C)(C)CC)C1	696801192	FLQSEZCQYHQIGE-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)C1(C(C)C)CC1	697603230	QNEPZCPPFLSLJY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@](C)(C(=O)CC2CCCC2)C1(C)C	699086897	PXFIUBZXZYDFFN-BLLLJJGKSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1C)C(C)(CC)CC	701204631	LIJXWNFCGSIHAQ-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
Cc1cccc(NCCCCC(C)C)c1C	703977266	UBSOKAOIGSESQG-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)C1CCCCC1	704458820	HLOZFABKQLQDRE-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@@H](C)CC(C)(C)C	704739425	WBUABOSWPIIBAR-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C(C)C)C2CC2)c1	705310011	KIFGSMXTAVMIBE-KRWDZBQOSA-N	245.410	4.658	0	10	BJAE	
C[C@H](C[C@H]1CC(C)(C)CC[C@H]1N)CC(C)(C)C	709075024	CZVWWGAPCQIVHR-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CC[C@@H](C)CC(C)(C)C)c1ccccc1	709101758	CVQFYTIYFKWDCG-GDBMZVCRSA-N	247.426	4.800	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)[C@]12CCCC[C@@H]1C2	709131425	OLYBKEWYVAAAPU-XJKCOSOUSA-N	247.357	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C12CCC(CC1)CC2	710263435	PNBCQHZFSJWSMQ-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NCCCC2CCC2)c1Cl	711171099	PMQINBKNWQZYJR-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
C=C/C=C\CC[C@@H]1CCOC2(CCCCC2)C1	713646954	ROXYBVVXROEQEN-ABCZVMIZSA-N	234.383	4.638	0	10	BJAE	
C/C=C/[C@@H](C)Cc1ccc(SCC)cc1	714549905	LQIIDJMASIXKCR-FVOPLDGLSA-N	220.381	4.553	0	10	BJAE	
C[C@@H]1C[C@H](C2CC3(CCC3)C2)Nc2ccccc21	717543365	PAEUJQXSYCNQNK-MLGOLLRUSA-N	241.378	4.555	0	10	BJAE	
CC[C@@H](C)c1cccc(CCC=C(C)C)c1O	718626426	ABPIEPUHQIYWGM-CYBMUJFWSA-N	232.367	4.805	0	10	BJAE	
CN[C@@H](CCCCC(C)=C(C)C)C(C)(C)C	718652344	LWQLBBOODPIIRN-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	723633273	FFAKWTRBHIQVDB-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCC(NC2CC(C)(C)C2)CC1	1560539430	CENGTSHVGWWQDQ-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CCC(=O)CCC1CCCC1	1900709972	QJJPKCXBLBEDNV-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H](C)[C@@H](C)C(C)C	1901648636	FXEUECIRJGGNQH-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H](C)CCC(C)C	1905307472	FLCGFQDZALEYKX-CABCVRRESA-N	227.436	4.569	0	10	BJAE	
CCC[C@H](CC)CC1(O)CCCCCCC1	1905379413	AMCANUFHUPHKLW-AWEZNQCLSA-N	226.404	4.678	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(C)CC(C)(C)C1	1905433444	VAQGAOYTZZCQJL-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)N(CCC[C@@H]1C[C@@H]1C)CC(C)C	1908588845	AXTVWOKUPRIRAN-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNCCCCCCC(C)C	1910730952	DTNPQTZEAKWJLM-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC=CC[C@@H](C)c1c(C)cc(C)cc1C	1911836185	NHYWLKPDPXEXPK-GFCCVEGCSA-N	202.341	4.682	0	10	BJAE	
CCc1ccc([C@](O)(CC)[C@H](C)[C@H](C)CC)cc1	1920043479	MZBCLKRCEABGID-CPUCHLNUSA-N	248.410	4.529	0	10	BJAE	
CCC[C@]1(CNC(C)(C)C)CCCC12CCC2	1921602710	LQNSHOQXSORYDE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
NC[C@]1(CCC2=CCCCC2)CCCC12CCC2	1921607285	WQCJPYWCCNWZOR-QGZVFWFLSA-N	247.426	4.566	0	10	BJAE	
CC[C@H](C(=O)c1cccc(C(C)C)c1)C(C)C	1941265498	VLFGVOUNFAFTFJ-HNNXBMFYSA-N	232.367	4.675	0	10	BJAE	
CCCN[C@@H]([C@H](CC)C(C)C)[C@H](C)[C@@H](C)CC	1941266752	JGSPYAAJGJNHHC-ZJIFWQFVSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)CCCC1CCC1	1941470849	WLVXYKCSKYOVKI-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H](N)CCCCCC1CC1	1941584735	BMBBOYXKDJDJBL-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CC1(CNC(C)C)CC(C)(C)C1	1941986590	AQXUTCYFWDRSRL-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(NCCCC2CCCCC2)C1	1942002992	HCDMJZGPGQADSF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCC(=O)[C@]12CCCC[C@H]1CCC2	1944221919	LSQUZIFIUIFRQU-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C(C)(C)C(C)C	1944665585	HIANERBPCOTWQL-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)c1nc([C@@H]2C[C@H]3[C@@H](C2)C3(C)C)cs1	1944701185	HTKMNOSYEPNVQW-JGPRNRPPSA-N	249.423	4.590	0	10	BJAE	
CC[C@H](CC(F)F)CC1(O)CCCCCCC1	1947531411	GAPSWKRLQYACGE-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
Clc1ccc2ccn(C[C@@H]3C=CCCC3)c2c1	1947569340	KEAWUNVHCWMZBC-GFCCVEGCSA-N	245.753	4.651	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CC2=CCCC2)CC1	1949035076	JOHKMQSPBJGXMI-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1CCC2(CCCC2)C1	1949494878	BGKFNWWAGFTPCE-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	1949551291	JFLJHBBACOOPEB-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1CCCC(C)(C)CC1	1950915045	WNNYPQPVHLMKCQ-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(CN)CCC[C@H](C)CC1	1950924865	OJDJQOXDIOIXAN-JYJNAYRXSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](C)CN(C)CC[C@H]1CCC[C@@H](C)C1	1964262655	STFDNHWWUNPZDB-OWCLPIDISA-N	239.447	4.571	0	10	BJAE	
CCCc1ccccc1CN(CCC)CC(C)C	1966166582	CDDVTDFLAXKBJO-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
CCC1(C)CC(N[C@@H]2CCCCC23CCCC3)C1	1967857745	JKDURAHOLGFQIC-HWOWSKLDSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC1(C)CC(C)C1	1968350252	PYLUQKPQSKVQMP-UHFFFAOYSA-N	246.394	4.933	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@H]2CCCCC23CC3)C1	1972729149	PXUSOPUHNOHXEE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc(C)cc1Cl	1976011122	RXFOFVCVRHGSHS-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCCCCC[C@@H](O)c1csc(C(F)F)c1	1978582470	LHLNUHZFLXZKKN-SNVBAGLBSA-N	248.338	4.690	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H](CC)CCCC	1983428893	MSIDBARAZVPZJS-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCCC1CCC(C[C@](C)(N)CCC)CC1	1989813417	BODXFABXKGZCHE-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cc(Cl)ccc1C	1993483782	PXZMUACJYDPQAA-BXUZGUMPSA-N	240.774	4.508	0	10	BJAE	
CC1(C)C[C@H]1CC[C@](C)(O)C1(C)CCCCC1	1995985422	JIBFUSUYQNFQGM-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(O)C2(C)CCCCC2)C1	1995992368	XOTJPQQDJCEHSM-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@]1(C)CC=CCC1	1997582693	FVJBDQVLCVHBDR-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](CCC[C@@H]1CCC=CCCC1)NC	1999993203	KMTMMMQWBYTWKU-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C)CCC[C@H]1CCC=CCCC1	1999994643	WXXWIQCZNLDBKW-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)[C@H]1CCCC(C)(C)C1	2000026553	DHBLTSKQICWANC-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)[C@@H]1CCCC(C)(C)C1	2000034030	PMGXETMIRFPDQY-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@H](C)C(C)(C)C)NC	2000318739	DZRSJWDYXKBGCO-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@](CC)(CNCC)CC1=CCCC1	2000510291	ODHHECJTIUGHGB-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CCC[C@](C)(CNCC)[C@@H]1CCCC(C)(C)C1	2000514826	OFRNLVPDXXRQCI-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](C)(CNCC)[C@@H]1CCC[C@H](CC)C1	2000521602	WQWNDSRNWPGOKX-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCCC1CC1)CC1(C)CCC1	2001144905	RSHTYCIQHJHTAI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@H]([C@@H]1CCCC(C)(C)C1)N(C)CC(C)(C)C	2002991795	WACKZKMMQHTRDX-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CN[C@H](CC=C(C)C)c1ccc2sccc2c1	2004229670	UGAOUPCVTGOIQS-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
CCCC(CCC)CNCCC1=CCCCC1	2004711003	FMVARQDOEQGUBB-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)C1(C)CCCCCCC1	2004922302	GLMLVSABHMKAQJ-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC(Nc2ccc(CF)cc2)CC1	2007024710	HWNRJGUVAYDTOL-UHFFFAOYSA-N	235.346	4.537	0	10	BJAE	
CCCC[C@H](NCCC)C1(C)CCC(C)CC1	2007688658	GLJUCRFBXKQHGQ-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(C)([C@H](O)CC2CCCC2)CC1	2007697306	OTYLCURKCQETSN-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1CC(CC(=O)[C@@H](C)CC(C)(C)C)C1	2007765963	PGBBZIVVSDXKSC-HSBZDZAISA-N	238.415	4.700	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H]1CC1(F)F	2008086929	FJNSXPLYDRLMBV-CYBMUJFWSA-N	247.373	4.513	0	10	BJAE	
C/C=C/CCCC(=O)C12CCC(CC1)C2(C)C	2009567216	NYAGWTFHOJUGMJ-SNAWJCMRSA-N	234.383	4.518	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H]1CCC[C@H](C)CC1	2009598254	LZNKWCDVQXLGAK-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@]1(CNCC)CCCC[C@H]1C	2009617950	XOKJJADASFLKMG-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H]1CCCC[C@@H]1CC	2009635830	QYLNSKGOYAKIBC-QPSJONLNSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC=C(CC(=O)c2cccc(Cl)c2)CC1	2010607342	ZLXHYZGYXJVTQB-NSHDSACASA-N	248.753	4.659	0	10	BJAE	
CCC(CC)CC(=O)C(F)(F)C1CCCCC1	2012957205	NJBYXTZNGUJXOK-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)C1CCCCC1	2013262594	CBUXONZISFWGRM-GDBMZVCRSA-N	239.447	4.760	0	10	BJAE	
CC[C@](O)(CCC(C)C)C1=CCC(C)(C)CC1	2013270852	MKRPFNTUZVEXBV-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CC[C@@](N)(CCC(C)C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2013272798	FNFYSDVUGZMFKA-FXUDXRNXSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(O)C1(C)CCCC1	2014323646	CITVPBIKDJHMNQ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H](C)[C@@H]1CCC1(C)C	2014905116	VCLLCCHGOFYFAQ-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)[C@H]1CCC1(C)C	2014906359	YUGQJYIGUFPRHX-QLFBSQMISA-N	239.447	4.760	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)C)C1(C)CCCCCC1	2015275929	ULULOLIMYMJKNA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@]2(O)C[C@H](C)CC[C@@H]2C)CCC1	2015641093	ZXJIELWHBAQHHV-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCCC(=O)C1(CC2CCC2)CC1	2015791896	FEVSTSSSOFBSEK-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C1=CCCCCCC1	2016138124	ULWVXGBUVKEOAD-MRXNPFEDSA-N	236.399	4.764	0	10	BJAE	
C[C@H](Nc1ccc2sccc2c1)C1CC=CC1	2016325836	ABDNLQPGTRKIAQ-NSHDSACASA-N	243.375	4.668	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@]2(C)C[C@H]2C)CC1	2016417258	IJWZIXXBCJIHBY-NYTXWWLZSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)CC1(C(C)(C)C)CCC1	2017129513	PKPHZMUAJNMEPN-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(C[C@@H](N)CCC2CCCC2)CCC1	2017147809	HREQFFULPVGRHK-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H](C)C1CCCC1	2017476210	VLMHVFACUDUGAO-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@H]1CC[C@H](CC)CC1	2017729162	SYHIOUFLNFNXRH-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CC2CCC1CC2	2018139494	SFZJRUOMUCDGFG-QDIHITRGSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCCC[C@@H]2CC)CC1	2018923812	HDURRYAZCDFMGD-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](N)CCC2CCCCC2)CC1	2019005135	BAOQPVLHVGCNMW-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc([C@H](C)N(C)[C@H]2C=CCCCC2)s1	2019532399	LMLXBVXAUQYSNL-KBPBESRZSA-N	249.423	4.548	0	10	BJAE	
CCC[C@H](C)C(=O)[C@H]1C[C@@H]1C1CCCCCC1	2022418304	VLCARMWFYREBGW-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
CC1(C(=O)CCC2(F)CCC2)CCCCCC1	2025239237	YNQPRFUQDZNFIQ-UHFFFAOYSA-N	240.362	4.588	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCC1(F)CCC1	2026146304	SHGTUNDOXGANEJ-KGLIPLIRSA-N	243.410	4.593	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@@H](C)CC(C)C	2026165369	AVCJCBWDUJAPEH-HRCADAONSA-N	241.463	4.993	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1C[C@H]2CCC[C@H]1C2	2026244058	QHCRLOCSAJBMHJ-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CN[C@H](C1=CCCCCC1)C1(C)C(C)(C)C1(C)C	2027150499	LBLIMRSYGUZSIK-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(F)c(C(=O)CCC[C@@H]2CC2(C)C)c1	2027843770	SZXXVLJKBCFACY-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1ccccc1CC(C)C	2028923962	VLFQCCAFDZTSCY-MRXNPFEDSA-N	247.426	4.711	0	10	BJAE	
CC[C@@H]1CC[C@H](NC[C@]23CCCC[C@@H]2CCC3)C1	2031809302	QUGDFKRPEPAGAV-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1CNCCCCCC(C)C	2033747129	FPRYNAHASSACGT-UHFFFAOYSA-N	247.426	4.609	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCC1)C1(C(C)C)CC1	2035594422	UEHZHMCUXSUQIO-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1NC1CC2(CCCC2)C1	2036539448	SHUCEDRMYFQOFC-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@H](NCCCC1CCC1)C2	2036659943	GXBDPSNWWFPCCM-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(C2=CCCCCC2)CC1	2037094986	XEHLSWDUAAZIGL-DOTOQJQBSA-N	249.442	4.955	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)C[C@@H](C)c1ccccc1	2037126758	JHNUOLLNJACZEB-ZBFHGGJFSA-N	247.426	4.580	0	10	BJAE	
CCC1(CC)CCCN1[C@@H]1CCC2(CCCC2)C1	2037678402	KOCYFFBEWDQNHG-OAHLLOKOSA-N	249.442	4.754	0	10	BJAE	
CC1CC(CCN[C@@H]2CCCC23CCCCC3)C1	2038092254	NKRVEJMBFKFELF-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCC[C@H](C)CC2)c(F)c1	2039368388	BPZMNBCLLRIFKQ-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CCC/C=C/CN[C@H]1CCCC2(CCCCC2)C1	2040765099	LZSDCDXYNSHLEK-YCOJEUHLSA-N	249.442	4.825	0	10	BJAE	
C=CC=CCCN[C@H]1CCCC2(CCCCC2)C1	2040767503	SJBVQOUUWPOSEJ-INIZCTEOSA-N	247.426	4.601	0	10	BJAE	
CCNC[C@]1(CCCCCC2CC2)CC=CCC1	2042091374	KWYVCFCAOYKPSZ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1(C)C[C@H]2[C@H](C(=O)C23CCCCCC3)C1(C)C	2042340138	UNBPQZHPSBODNQ-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1[C@H](N)C[C@H]1CCC=CCCC1	2045321196	SZLZZAFBMDFSPT-VVLHAWIVSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](NC1CC2(CCCCCC2)C1)[C@@H]1C[C@@H]1C	2046231088	BTBJSIIVJMFRHP-IMJJTQAJSA-N	249.442	4.514	0	10	BJAE	
C=CC=CCC[C@](C)(N)C1CCC(C(C)C)CC1	2049414199	FLHDAOPRXXISFI-JCYILVPMSA-N	249.442	4.689	0	10	BJAE	
CC(C)C1CCC([C@@H](C)N[C@@H]2C=CCCC2)CC1	2049417992	MRTLXWZRBPYOKG-RDHHWEPZSA-N	249.442	4.536	0	10	BJAE	
C[C@@](N)(CC1[C@@H]2CCCCC[C@@H]12)C1CCCCC1	2049421959	OARIKSMAESCTLM-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@H](N)CC[C@@H]1CCC[C@H](C)C1	2050455185	BWXFYRHMRMUMHG-JLJPHGGASA-N	245.410	4.601	0	10	BJAE	
CC[C@H](Nc1ccc(CF)cc1)C1CCCCC1	2055672715	WQZYRDWTWMOBMP-INIZCTEOSA-N	249.373	4.927	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)C2(C)CCCCC2)CC1	2061082723	XJQGDPPZLWZKBD-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@]1(C2=CC[C@@H](C(C)C)CC2)CCCN1	2061087394	FQZXGYNCIAPFDK-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)C[C@@]23CCC[C@@H]2C3)C1	2061602357	MXDIBSXNAJBQIT-HNLJFRNMSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(CNCC23CCC(CC2)CC3)CC1	2065262442	KPVZOASZGKCNFW-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)CC12CCC(CC1)C2	2065273631	YWMTWIATOZBGPA-DKVOJFQGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](CC2CC3(C2)CC(C)(C)C3)N1	2066376136	RARQQPQVUPMVMF-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCCCC1	2068772776	QTWYZUSNUXAVBI-LLLHUVSDSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1ccc2ccccc2c1	2068984013	KCDPIIKUVWJMPF-ZDUSSCGKSA-N	240.346	4.705	0	10	BJAE	
CCN[C@H](C[C@]12CCC[C@@H]1C2)C1(C)CCCCC1	2070958778	LOTSWBDCZDLRJT-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@@H]1CCC[C@H]2CCCC[C@H]21	2072428491	GGRLPOIOGOIPFI-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@@H](C)c2ccccc2)CC1	2072682071	QFGHPUGHKABGAU-JYJNAYRXSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CC23CCCC3)CC1	2072805432	CCRQLFZJPFEQCU-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H]2CC23CCCCC3)CC1	2074648405	IGYXQDUCANDICF-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](Nc2ccccc2C2CC2)C1	2077262306	QPGVGUHHJPRYMF-AWEZNQCLSA-N	243.394	4.945	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@@H]2CCC2(C)C)o1	2077978149	IFPCYSNTPGAHJF-ZDUSSCGKSA-N	248.366	4.631	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@@H]2CCC3(CC3)C2)CC1	2078342142	GAIFZXLEQBRXME-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CNc1ccccc1C1CCC1	2079627570	VJGGJMZDMPDJQQ-ZBFHGGJFSA-N	243.394	4.658	0	10	BJAE	
C[C@](N)(C[C@H]1C[C@H]1C1CCCCCC1)C1CCC1	2079816879	AZBRSLBLWLFJSB-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1C(=O)C[C@@H]1C[C@@H]1C1CCCCCC1	2079840690	DLQBSQRPXIWYLD-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@H]2C[C@H]2C2CCCC2)C1	2079859447	BMYGLGAMMPPYHA-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)C[C@H](C)CC(C)C)c1	2082943165	YOJAULLTFUHAGP-PXAZEXFGSA-N	248.410	4.718	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CC[C@H]2CC2(C)C)c1	2082957281	GKFKOOOKEZKTPJ-AWEZNQCLSA-N	244.378	4.621	0	10	BJAE	
CCCCCC[C@@](C)(CC)CN[C@H](C)CC	2212583011	BGUDHTDJVIDMHU-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC1(C)CC(C)(C)C1	2215394048	PUNNRYJHLHPZLK-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNCC)CC=C(C)CC1	2215839167	VAIDYIIEMDZHHB-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
N[C@@H]1CCC[C@@H](CCCCCCCC2CC2)C1	2216880079	QJPWFRZVFCGCRY-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CC1(C)C[C@@H]1[C@H](O)CCCCCCCC1CC1	2216890453	GHKZUUZVBFOOOU-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218357258	QDVMTHBQTUEONN-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
C(CCC[C@@H]1CCC12CCNCC2)CCC1CC1	2218726833	OHUJRRHBVICKQO-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(N)CCCC3(CCC3)C2)C1	2221022171	DSBPUAMMVUZNPV-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCCNCC1(CC2(C)CC3(CCC3)C2)CCC1	2221042493	XNWMJZGRYIATCU-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1N[C@@H]1CCC[C@@H](C(C)(C)C)C1	2222260258	AJXKTRQRXDRTRU-FPCVCCKLSA-N	249.442	4.536	0	10	BJAE	
CCC(O)(CC)CCC[C@@H]1CCC[C@@H](C)C1	2242812899	NRXNILUJRSSUSB-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCCCC2=O)C1	2246656073	IUIDLUQUYBTILK-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC(=O)CC1CC2(CCCC2)C1	2246808364	NXASTGLSQCNSRW-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@](C)(CCCC[C@H]1C[C@H]1C)CNC(C)C	2247163821	LQFXDUURGHKOGE-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
Clc1cccc(NCC[C@H]2CCCC23CC3)c1	2247618473	FKXBSQBEVKMQQR-GFCCVEGCSA-N	249.785	4.722	0	10	BJAE	
CCCCCC[C@@H](O)CC[C@@H]1CCCC12CC2	2247646939	CPBSKLHUCKUMNK-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@]1(C)CC1(C)C	2248813295	DJSAQEDLIATGRQ-WWGRRREGSA-N	236.399	4.598	0	10	BJAE	
CC[C@](O)(CCCCC[C@@H]1C[C@H]1C)CC1CC1	2248864547	CYONNVGIDLUOLP-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CNC(C)(C)[C@@H](F)CC[C@H](C)CCCC(C)C	2250481058	JOPFOXFPTCYBHO-KGLIPLIRSA-N	245.426	4.565	0	10	BJAE	
Cc1ccc(NC[C@]23CCC[C@@H]2CC3)cc1Cl	2251165078	AWQUVEDTLBQAEH-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@@]12CCCC[C@@H]1CC2	2251225126	VUJCZYHEBJCSJU-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)C[C@]23CCC[C@H]2C3)C1	2253930485	MWFJYWVSQDADPC-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCC1CC1)CC1CC2(CCCC2)C1	2254040993	GZHULVPVZHGADL-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCn1ccc2ccc(F)cc21	2254522547	PDUHOAXPZUMCKT-JSGCOSHPSA-N	245.341	4.607	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CCCC[C@H]2C[C@H]2C)CC1	2254544959	RVRJWCCJQCEMMI-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CCCc1ccccc1OC[C@@H]1CCC12CCC2	2255017800	MWPVEQOHOMUWDA-HNNXBMFYSA-N	244.378	4.598	0	10	BJAE	
CC1(C)CC[C@H]1C[C@]1(N)CCCCC12CCCC2	2255021596	ALNFHUAPZCUHQT-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC12CCC2)C1(CC)CCC1	2255022875	GTFMUVWGHJNITP-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(NC[C@]23CCCC[C@@H]2CC3)CC1	2260527976	PXSZQZDSNIKHFR-MNAZLIDISA-N	249.442	4.515	0	10	BJAE	
CN(C[C@]12CCC[C@H]1CC2)C1CCCCCCC1	2260563534	ACXSZYKOBWONNO-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@]12CCC[C@H]1CC2	2260564072	DFUIPCQFHGLKTF-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
C[C@H](NC[C@]12CCC[C@H]1CC2)C1(C)CCCCC1	2260632185	BMJLTGVYCPTAPE-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@]12CCCC[C@@H]1CC2	2260657857	LFEDGBQRDITBNH-VQHPVUNQSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(C[C@H]2CC=CCC2)C1	2261376492	OFKAXSYTCKNYCZ-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)CCN1CCC[C@H](C(C)(C)C)C1	2300681310	NQYWJENIUONXIC-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@]1(C)C=CCCC1	2300681883	UCINNXJWPXQYMB-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)C[C@@H]1C[C@@H]1C	2300702902	ZEGABERNVXWITF-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CC(=CCC(=O)C1[C@H](C)[C@H]1C)CCCC(C)C	2300878084	XOOVFYLJWGLDBS-ZIAGYGMSSA-N	236.399	4.620	0	10	BJAE	
CC[C@]1(CC2CCCCCC2)CCCCCN1	2301134591	ZXUNOWIYTQMSAY-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1ccccc1C1CC1	2301834489	ZEGVFSMUHHYNHL-STQMWFEESA-N	231.383	4.657	0	10	BJAE	
CCC(C)(C)CC[C@H](N)CCC1=CCCCC1	2301934624	GCWSWFJGBJFHCJ-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
CCC1CCC(C[C@](C)(N)[C@@H](C)C(C)C)CC1	2301936395	VROUMBKLDFGIDE-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CCCN(C1CCCCC1)[C@@H](C)[C@@H](C)C(C)C	2301967790	MIIIZRSCZDCELX-GJZGRUSLSA-N	239.447	4.712	0	10	BJAE	
CC(C)CCCCCCN[C@@H]1CC(C)(C)[C@@H]1C	2302083565	PZMSKHMYLOPNIY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@@H]1CC(C)(C)[C@H]1C)C(C)C	2302168724	HSHMPQDBBIGEJQ-MELADBBJSA-N	238.415	4.556	0	10	BJAE	
CC(C)C1(CC(=O)CCC[C@H]2C[C@H]2C)CCC1	2302610901	ZAYUAUGVOYYBNA-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CCC[C@H]1C[C@H]1C	2302620982	WZXDKPBXVHQLOY-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CC[C@H]1C(C)(C)C	2303396637	BFXJSSURJALYAK-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H]1CC[C@H]1C(C)(C)C	2303450174	QFNITCQDPOTICZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CC[C@H]1CCC(C)(C)C1)CNC	2304428313	LPZPJWAWSZTPHG-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
N[C@@H](CCC[C@@]12CCC[C@@H]1C2)CC1CCCCC1	2310382507	PHSYBAXQZCSXKP-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC(=CC[C@H](N)[C@@]1(C)C=CCC1)CCCC(C)C	2316578169	CWWMRRYUYKMBQW-IRXDYDNUSA-N	249.442	4.833	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H]1C[C@H]2CCC[C@H]1CC2	2316696735	CXXDDBQTIJBLLS-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCOc1cccc(N[C@H](C)[C@H](C)C(C)C)c1	2317945598	SOENNSWZWZCSRI-ZIAGYGMSSA-N	249.398	4.568	0	10	BJAE	
CCCN[C@@H]1CCc2ccc(C(CC)CC)cc21	2318394785	CWEBTTQKDYVWDJ-QGZVFWFLSA-N	245.410	4.577	0	10	BJAE	
CC1(C)CCC[C@H](NCCCC2=CCCCC2)C1	2318530950	GLLOMCJYJQHZRO-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CC=C[C@](N)(CCCC2=CCCCC2)C1	2318572440	FJOKPOOMGAHEAY-RDJZCZTQSA-N	247.426	4.731	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@H]1CC2CCC1CC2	2318879175	CBVMQZHYHZSXRE-BHUNQDJPSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2CCC(C)(C)C2)C=CCC1	2319289748	XLORCYFSMUXLIW-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1CC[C@H]1C1CC1	2319491669	DTNNQPUERPQSNW-WBVHZDCISA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@@H]2CC[C@@H]2C2CC2)C1	2319503013	UODYRSSZAHJQBT-RPCCPQHDSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CC(C)(C)CC[C@H]2C)CC1	2320408087	HKHMZLYPMBQLJO-FVQBIDKESA-N	249.442	4.680	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCCCC[C@@H]2C)c1	2321088946	GYKCALKLMVUTLB-LRDDRELGSA-N	249.373	4.769	0	10	BJAE	
Cc1ccc(-c2cc(C)ccc2C(C)C)c(O)c1	2327679866	HBGITZMHYFPOPB-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H](C)c1ccccc1	20306107	LUFNBCXEKIZTDM-CVEARBPZSA-N	247.426	4.739	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C(C)C)c(C(C)C)c1	21050139	ZJHFFPYPTJPFTG-INIZCTEOSA-N	233.399	4.589	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccccc1C(F)(F)F	21801371	KJAIMHHLGPPFKM-NXEZZACHSA-N	245.288	4.552	0	10	BJAE	
Cc1cc(C)c2nc(C(C)C)cc(Cl)c2c1	36912834	ZLTUPYYXQJCQBL-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
Cc1cc(C)c([C@H](C)N[C@H](C)CC(C)C)cc1C	37260632	LHLCPVFJYHWIKC-CVEARBPZSA-N	247.426	4.697	0	10	BJAE	
CCC(=O)c1cccc(-c2ccc(Cl)cc2)c1	38069566	DVGUPQHDSBHUSV-UHFFFAOYSA-N	244.721	4.600	0	10	BJAE	
CCCCC(=O)C(CC)(CC)c1ccccc1	62783372	OVPFVUJAIJESIZ-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CCCC[C@]1(C#N)C=CC(c2ccccc2)=CC1	71618182	RDYJNYIAMQIJHP-KRWDZBQOSA-N	237.346	4.730	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1Cl)C(C)(C)C	79923602	JEHCGWJNTYBUDM-QMMMGPOBSA-N	246.181	4.840	0	10	BJAE	
Cc1ccc2c(c1)[C@@H](C(C)C)CC[C@H]2C	85489337	PGTJIOWQJWHTJJ-CHWSQXEVSA-N	202.341	4.632	0	10	BJAE	biogenic,in-man
Cc1cccc2c3c([nH]c12)CC[C@@H](C(C)(C)C)C3	87818727	RTBPLRPJCDCGPT-GFCCVEGCSA-N	241.378	4.627	0	10	BJAE	
Cc1cc(C)cc(C(=O)C2CCC(C)(C)CC2)c1	87940946	ZOKLLBGJVFZCBQ-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
C[C@@H]1C[C@@H](CC2CCCC2)c2ccccc2N1	92345005	HSBNATVONFFRLB-OCCSQVGLSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H]1CCC/C(=C2\CCc3cc(N)ccc32)C1	94338548	SPNUJQTXEBFHGZ-CZWGUHTPSA-N	241.378	4.569	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C1(CC)CCCC1	94900971	YIGIQAYUJCWCEX-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@H]1C[C@@H](C(C)C)CC[C@@H]1NCCC	103939022	RLILLXAIOGSKCK-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC1CCCCCC1)C2	105803790	VQAOWXMGXIYMID-FRFSOERESA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1CCC([C@H](O)c2ccccc2)CC1	109783012	YQIVWGBKNXNPHQ-UYSNPLJNSA-N	246.394	4.573	0	10	BJAE	
CC(C)CNC[C@@H](CCC(C)(C)C)CC(C)C	110184140	DMLGOWIPGZNTNV-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CC(C)c1ccc([C@H](O)CCC(C)(C)C)cc1	112885171	RQHQOAANTXHLLM-OAHLLOKOSA-N	234.383	4.670	0	10	BJAE	
CCc1ccc([C@@H](CCC(C)C)NC)cc1CC	127981888	JNUULHYIMRCCQN-QGZVFWFLSA-N	247.426	4.508	0	10	BJAE	
CCCCC[C@@H](CNCC(C)C)C1CCCC1	128333443	DDZBFENEKJWZSQ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1C[C@@H]1c1ccccc1	128388741	QYUFJLGCUNEUKV-HZPDHXFCSA-N	244.378	4.576	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CC[C@H](C)c2ccccc21	137049599	SLMXCFDKKSLECJ-GRDNDAEWSA-N	245.410	4.564	0	10	BJAE	
CCC(CC)C[C@@H](N)C1CCC(C(C)C)CC1	148409819	PKSLIPCZABJWAB-UYSNPLJNSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CNC(C)(C)C)C(C)(C)C	162400318	NSTQXHCHRHAUBO-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@@H](O)c1cccc(CCC)c1	165363245	YNEIVJQWLZQFQW-MRXNPFEDSA-N	234.383	4.643	0	10	BJAE	
CCCN[C@@H](CC1CCC1)c1cccc(C)c1C	167079087	RVOIJZOUOCUJDI-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@](CC)(CNC)C1CCCCCC1	168031886	AQDJDSPCNSAGOV-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CC[C@H](C)[C@H](C)C1	168226708	ZCXFLQQVXMPHJE-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1cccc(Cl)c1	168975284	HZPBUMHKHQXABF-FZMZJTMJSA-N	240.774	4.590	0	10	BJAE	
Cc1ccc2[nH]cc([C@@H]3CCC[C@H](C)C3)c2c1	200603336	HKZKESCATUTGQE-WCQYABFASA-N	227.351	4.770	0	10	BJAE	
FC(F)(F)c1cc(Cl)cc2ccccc12	223863574	UVYYBUNPFVQGGS-UHFFFAOYSA-N	230.616	4.512	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@H]1CCC[C@@H]1C	226560613	XEZORPMNQBTYEG-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H]1CCC[C@@H](C)C1	227006184	VXOMNQDJLSLATQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)[C@@H]1CCC[C@@H](CC)C1	227029552	SVDALEJMJIDFDS-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](c1ccccc1CC)C(CC)CC	228687242	HJXHAVHTSIYFQM-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1cccc2ccsc12	228967285	VTMGAIYOEKOZPP-FZMZJTMJSA-N	247.407	4.598	0	10	BJAE	
CN[C@@H](CCCC(C)C)CCC1CCCCC1	229170655	DHCOMIZLVJUJHT-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1ccccc1C(C)(C)C	229339746	WYKXSNCXKHHBJV-OAHLLOKOSA-N	248.410	4.844	0	10	BJAE	
C[C@H](CC1CC1)N[C@@H](c1ccccc1)C(C)(C)C	229679547	AFXCSBBCRWWPDE-CJNGLKHVSA-N	245.410	4.552	0	10	BJAE	
C[C@H](N[C@H]1CCC12CCCCC2)c1cccs1	230164333	LMHGZIGLBMZUEY-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
CCCC[C@H](CC)c1c[nH]c2c(F)cccc12	232993989	TVNULHXDAPBPII-NSHDSACASA-N	233.330	4.991	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C1(C)CCCCC1	233123148	BPENHZZTRSBAPS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCc2cc(C3CCCCCC3)ccc2N1	235391950	FMPOGYQSTAZVAZ-CYBMUJFWSA-N	243.394	4.871	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1C	253183132	GITDRXSYNRZUTA-JYAVWHMHSA-N	244.378	4.558	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)CC1CCCCCC1	302292110	GLCCTQIXEFAJOW-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1CCC(C)(C)CC1	304156311	FOQQUPDOELWNRJ-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)C)C1(C)CCCC1	305914758	GMYCNYSWCPRQKU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
c1cc2cc(N[C@@H]3CCC[C@@H]4C[C@H]43)ccc2s1	306119416	YURMHGHGKFJEON-LERXQTSPSA-N	243.375	4.502	0	10	BJAE	
Fc1ccc2scc(Cl)c2c1C(F)F	307176464	VACUCWBUTNVCQC-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)c1ccc(C(C)C)cc1	308079173	PHGUGKJXMUOXNG-PBHICJAKSA-N	247.426	4.882	0	10	BJAE	
CC1CCC(C[C@H](N)CC2CCCCC2)CC1	310218583	GNEUZGRYMZMTIW-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)C(C)(C)C(C)(C)C	310551819	GPVUYCPRYQHBBT-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCNCC/C=C(\C)c1ccccc1C(C)C	310891528	YMSHDIDZRAOKIO-OQLLNIDSSA-N	245.410	4.603	0	10	BJAE	
CCC[C@@H](C)CN[C@H]1CCCC12CCCCC2	313062225	ZGHIAEJIMGWQJQ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC[C@](CC=C(C)C)(CNC(C)C)C1	318134811	XRCKDVGORMWLEO-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
Cc1ccccc1N[C@@H](C)[C@H]1CC2CCC1CC2	382101723	JZPOFIJLPDYIQN-SLTXQBBLSA-N	243.394	4.622	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)CC(C)C	383166897	RKYBAYYBVIYTTR-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(O)cc1-c1cccc(CC(C)C)c1	383263339	GKOWQKZTQYBQQL-UHFFFAOYSA-N	240.346	4.566	0	10	BJAE	
Cc1ccc(OCCCCCC(C)C)cc1C	383315850	WVDQJZRHCNDHEA-UHFFFAOYSA-N	234.383	4.899	0	10	BJAE	
Cc1ccc(OCCC2=CCCCC2)c(C)c1	385139014	IAVRHNCFBZLSNE-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
C/C(=C\CCNC1CC1)CC1CCC(C)(C)CC1	385236405	JQBHWQIIERZYJN-LHHJGKSTSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1cccc(C)c1C	395137236	WAWNPIULMDSUGP-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
CCOc1cc2scc(Cl)c2cc1CC	396183715	AGVYFBYHBGPNRZ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1ccc(F)c2scc(C(F)(F)F)c12	396297721	LPNKDBJUQBEBKH-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@H](C)C2CCC2)C1	398727479	UOYHNANQMKOMJK-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
FC1(F)CCCC[C@@H]1CCC1=CCCC1	401150977	JPRGBDJKTIKKEY-GFCCVEGCSA-N	214.299	4.702	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1ccc2c(c1)CCCC2	404664011	XVVGZTTXVHDUBM-GUYCJALGSA-N	243.394	4.556	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CC(C)(C)c1ccccc1	686664988	UEIPQDXWGATLBR-QGZVFWFLSA-N	247.426	4.508	0	10	BJAE	
CC[C@@H](CC(=O)C(C)(C)C(C)(C)C)CC(F)F	688836832	WEIROMGNYCUNCH-JTQLQIEISA-N	248.357	4.699	0	10	BJAE	
CCCC[C@H](CC(C)(C)C(F)(F)CC)NCC	691043125	WWXYMYXVFLSIEG-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCCC[C@H](C)NCC(C)(C)C(F)(F)CC	691047066	SEHGJXRAQQFLJN-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)C1=CCCCCCC1	691189872	VQLVUWNHWGSXMU-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCC(=O)c1cccc(C(C)(C)C)c1	691709324	CLHXUNCEJKOBCL-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CC[C@H](NCCCC1CCCCC1)c1ccco1	694060275	UXIVWSUOFXOQSM-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](CC)C1CCCC1	695057861	BBDFFXXBWOVQBU-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
Fc1ccccc1NC1CCC(C2CCC2)CC1	696059471	CDESELGOKJDBOU-UHFFFAOYSA-N	247.357	4.597	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@H]1C[C@@H]1CC	696552146	XTOXTKFDPICWCR-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCCC23CCC3)CC1	697565791	BKNDEELXONHHRQ-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)CC(F)(F)CC	704718940	NXTHSADSEPDPID-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C1(N)CCC(C2CCC2)CC1	704861855	REHPVSGMFMMXLH-CRYBEJKASA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]([C@H](C)CC(C)(C)C)C(C)(CC)CC	708299553	ZFDSQSVIIXTRGX-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)[C@H](C)CC(C)(C)C)C1	708317380	XVGQYOVSPNTWIM-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(N)CCCCCCC1	709074199	ANFCYUBAHDPYAI-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@H](C)CC(C)(C)C	709081384	BIDVPISZEJOADZ-QWHCGFSZSA-N	227.436	4.602	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)C12CCC(CC1)CC2	710263023	MBUQBIWYNYFOQU-WIHSUSGWSA-N	247.426	4.565	0	10	BJAE	
C[C@H](C[C@@H](CO)C1CCCCCC1)C(C)(C)C	710804961	REJGBUNZESSVAG-HIFRSBDPSA-N	240.431	4.638	0	10	BJAE	
C[C@H](C[C@]1(CNC2CC2)CC=CCC1)C(C)(C)C	711197752	GDODSCDGEVLBOT-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)CNc1cccc2ccccc12	713176263	TUTINXJMCZWICE-UHFFFAOYSA-N	241.378	4.934	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@H](C)CC(C)(C)C	713177009	SZLMLGIWCRZSMT-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@](CC)(CN)CC(C)(C)C(C)C	713207893	DNZVERHVMCMNIM-OAHLLOKOSA-N	227.436	4.604	0	10	BJAE	
CCC1CCC(N[C@@H]2CC[C@H]3CCCC[C@H]32)CC1	714314013	FHWZBSQYTFPZBR-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714469176	YERSGKAMJRPZLY-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(CC(C)C)NCCCCC1CC1	716369940	FEOKJEYQHFZYJK-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCC(C)(C)C[C@H]1NCC	717536803	XBJKAZVQQTUGFS-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CNC[C@]1(CCC(C)=C(C)C)CCC[C@@H](C)C1	718738311	FKFRHBBRMKWPAT-ZBFHGGJFSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1ccccc1C(C)(C)C	723128874	NSQDTVBQCNTYEA-STQMWFEESA-N	244.378	4.603	0	10	BJAE	
C=C/C=C/CCNC(C)(C)CC1CCCCCC1	1459964234	XXIRZSBEEUPRSU-AATRIKPKSA-N	249.442	4.847	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC1CCCCCC1	1901135727	KFELWEGNIPDKQT-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
Fc1ccnc(Cl)c1C1=CCCCCCC1	1903369395	FXTGHYIEXRWCGM-UHFFFAOYSA-N	239.721	4.612	0	10	BJAE	
CCC(CC)c1nc(C2CC3(CC3)C2)cs1	1903397356	CSMGFHJDMXHFRP-UHFFFAOYSA-N	235.396	4.704	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cscc1CC	1905367218	UTHVYZWTRWKFTO-BXUZGUMPSA-N	239.428	4.527	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC=C(C)C)NCC	1905444964	NWIHGHRWGXKRST-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CC(=CCCNCC(C)C)CC1CCCCC1	1905732863	HJFCCDJWPOXJPV-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C1CC2(CCCCC2)C1	1912628285	JLFQJONAEBVJNK-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCCN[C@H]1CCC2(CCCC2)C1	1916410854	XPRXYBCDJRNHII-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1C1(O)CCCCCCCCCCC1	1919621056	QFQHOKIYOXFRNO-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CC(C)(CC[C@H](N)[C@H]1CCCC12CCC2)C1CC1	1921616484	BVDBPNJMDWQFSL-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(C[C@@H]2C=CCCCC2)CCC[C@H](C)C1	1925803060	PRFDUPCFVIVDLA-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)C[C@@H]1C=CCCCC1	1925888440	GOEUUJRQCTWDOU-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
Clc1ccc(CCC[C@H]2C=CCC2)cc1	1932593653	ULZYACSDDDMRRG-LBPRGKRZSA-N	220.743	4.629	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CCCC(C)(C)C	1939040760	BIRUGBSVACDAMX-ZFWWWQNUSA-N	227.436	4.602	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)[C@@H](C)CC(C)C	1939046583	LSQOXYREKNMPQB-KKUMJFAQSA-N	227.436	4.616	0	10	BJAE	
C[C@H](C[C@@H](N)CCC[C@@H]1CC1(C)C)C(C)(C)C	1940878576	UVLFFZLQXUEANU-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCCCC1=C(C)c1ccc(N)cc1	1940966690	LODWZTSYILYIGB-ZDUSSCGKSA-N	229.367	4.643	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CCCC1CCC1	1941466699	VKWPJEVAMHOPKR-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)[C@H](C)CC	1941587477	SVUCOIRLGPREAP-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)[C@@H](CC(C)C)C(C)C	1942661148	VQKMWBRNJMHCLU-HRCADAONSA-N	241.463	4.704	0	10	BJAE	
CCC[C@@H]1CNCC[C@H]1CCCCCC(C)C	1944889996	FIHKRGKSFZPAGF-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@H]1CCC[C@H](C)C1	1948933026	SCJBDZKPFIFQFG-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CCC(C)(C)C1CC1	1949033842	NLLVCGFFRXDIKL-BBRMVZONSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@](C)(N)CCC1=CCCCC1	1949042741	HFHRPPLGAFFHMM-MRXNPFEDSA-N	237.431	4.955	0	10	BJAE	
Cc1ccc(CN(C)[C@H](C)CCC(C)C)cc1C	1963044755	MJGIROFHXPHKEX-MRXNPFEDSA-N	247.426	4.560	0	10	BJAE	
Fc1cccc(NC2C[C@@H]3CCCCC[C@H]3C2)c1	1968262174	HARRXFTWLFLLGQ-STQMWFEESA-N	247.357	4.597	0	10	BJAE	
Cc1cc(C)cc(OCC[C@H]2CCC[C@@H](C)C2)c1	1968307134	DWDHSNTWSZOAHU-CZUORRHYSA-N	246.394	4.899	0	10	BJAE	
CCC[C@H](C)Nc1cc(C(C)C)ccc1C	1968598464	YKYGUZLIGSNROS-ZDUSSCGKSA-N	219.372	4.719	0	10	BJAE	
C[C@@H](CN1CCCCCC[C@H]1C)CC(C)(C)C	1970728655	WSFDFKYEJSTRMF-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H]2CCC3(CCC3)C2)C1	1971461514	LMCZNJKMXBMQIV-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H]2CCCCC23CC3)C1	1972741044	AKFDCDSYBMQZNR-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CN[C@@H](C)c1cc(C)cc(C)c1)C(C)C	1973383148	CIWNIYWLBDCXTB-HOTGVXAUSA-N	247.426	4.636	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)CCC1CC1	1975837973	BCNRWKDYSJYNSK-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1cc(C(F)F)cs1	1977101412	NTFXPFMXKAEMKU-QMMMGPOBSA-N	246.322	4.551	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cc(C)sc1C	1978423724	SWZHFVVHWUTKEJ-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CCCC(CCC)C(=O)CCC[C@H]1C[C@@H]1C	1985895596	FOZWHYLECPKSJB-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
CC(=O)c1cc(-c2ccc(C3CC3)s2)cs1	1987180264	XZFBSKGEFGBEHS-UHFFFAOYSA-N	248.372	4.557	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCCC1CC1	1995205980	VQBZTOAGJANJHB-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC/C=C/CN[C@@H]1CCC[C@@H](CCC)CC1	1995875944	ZUJQLLGJOQXVKV-YCZSJOHXSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1cccc(-c2cccc(O)c2Cl)c1	1996251897	DFSCGDJXYDTVDF-UHFFFAOYSA-N	246.737	4.836	0	10	BJAE	
CCC[C@H](CC[C@H]1CCC=CCCC1)NCC	1999995705	IHRDIFSFNYKZTK-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC[C@H]2CC2(C)C)C1	2000103894	AVWXSVZEIKYLGA-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1(C(C)C)CCC1	2000195214	ORVRLNIJNMEMCT-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@@H](CC(C)(C)C(C)C)NC)CCC1	2000324968	YCBUPEAXCVCICF-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@H]1CCC[C@@H](C)C1	2000516707	YBDVQFSGSXIPCC-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)C1CCCCC1	2004710654	BSFMVLVFYUNFDN-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](CCC2CCCCC2)C1	2006673427	KXHLYASEIVBIJR-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
C/C=C/CCC[C@H]1CCCCCCCC[C@@H]1O	2009590196	PGUQYMRZIXKBNP-HSSFLUBNSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H]1NC[C@H](C)[C@@H]1C(CC)(CC)CC	2009770534	QJWHCBXVHLETSQ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H]1C[C@@H](NC)CC(C)(C)C1	2012042090	QQJKYGABOBTHGZ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H]1C[C@@H](O)CC(C)(C)C1)CC(C)(C)C	2012065206	VYASKNAJZOMOTE-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CC[C@](CNC(C)(C)C)(CC(C)(C)C)C(C)C	2012418943	IYDDRDMQFYYGEH-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C(=O)CC12CCC(CC1)C2)C(C)C	2012806961	YNXLUMGJJOMJSM-BBBYJDLNSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC(C)(C)CC(F)F	2013294569	AXQLBZHRNZCMMB-CQSZACIVSA-N	249.389	4.602	0	10	BJAE	
Cc1cccc(NC2CC(CC(C)(C)C)C2)c1	2014652484	ODELMIFOLNHCMN-UHFFFAOYSA-N	231.383	4.622	0	10	BJAE	
CCC1(C)CCC(N(C)C[C@@H](C)C(C)C)CC1	2015335350	KYPZDXGZHDZMAM-QQFBHYJXSA-N	239.447	4.569	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@H](C)C(C)C)cc1	2015380958	WUNVBKWBPAPORR-CYBMUJFWSA-N	232.367	4.675	0	10	BJAE	
CCCC1(C[C@]2(O)CCCC[C@H]2CC)CCC1	2015639370	GMLQQQIUFCQUQJ-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C1(CC2CC2)CCC1	2015750998	NWWBFZLOYKJDKU-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C(=O)CC2(C(C)(C)C)CCC2)CC1	2017125679	QJVYFMLECICEBG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](C(C)=C(C)C)c1csc2ccccc12	2017489011	ZPBSIIWDTLUADL-OAHLLOKOSA-N	245.391	4.518	0	10	BJAE	
CCCC1CCC(C[C@@](C)(O)CC2CC2)CC1	2017647303	DQONUYURYVVXIM-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCc1cc(N[C@@H](C)C(C)(C)CC)ccc1C	2017745619	CGNQCTRRXZNOEJ-ZDUSSCGKSA-N	233.399	4.794	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CC[C@H](C)CC2)C(=O)C1	2017776880	VWNJKARYNFVZQY-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)C1CC(C(C)(C)C)C1	2018136520	MBJWGPPBPUVBID-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CC2(CC)CC2)CC1	2018968837	YLKUSKFQOWHSDG-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CN1CCCC12CCCCCC2	2019291282	OQGGQLVBPDJMQK-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CC(C)C(N)(C[C@H]1CCCC(C)(C)C1)C(C)C	2024096481	VBTIOGFVTHOHJR-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2CCCC(C)(C)C2)C1=O	2024103435	ZUSWSDLCPYRAKF-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@@H]1CCCC(C)(C)C1	2024128630	OAOCQPFEEYEYJA-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
C[C@H](C[C@@H]1C(=O)CCC[C@H]1C)C1CCCCC1	2024605767	OEUWDYOUVQPIIN-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1CCCC[C@@H]1F	2026058368	DEKVOVNSXIHWLO-IHRRRGAJSA-N	242.378	4.690	0	10	BJAE	
c1sc([C@H]2CCCC23CC3)nc1C1CCCC1	2026607129	MHUKIQCQJMXTGP-GFCCVEGCSA-N	247.407	4.848	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CC1(C)C)c1ccccc1	2027816760	XXXFEBVZWWHHHJ-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
CN[C@H](CCC[C@H]1CC1(C)C)CC1=CCCCC1	2027855091	LVGPMAHZGXRMCF-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)CCC1=CCCCC1	2027877489	DWUVHSQVYXWJCZ-MIGQKNRLSA-N	246.394	4.518	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)c1ccccc1C1CC1	2028602077	DZBPYGHHPAMADF-LRDDRELGSA-N	245.410	4.636	0	10	BJAE	
CC1(CCCNCC2(C3CCCCC3)CC2)CC1	2029736996	YMWCQYBNHIEUMW-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)C[C@H](NCC2CCCCC2)CC2(CC2)C1	2030287525	JAILBVAYYVKJOP-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@@H]1CC12CCC2	2032131944	MUEBOPBHJWKXFZ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C[C@@H]1C=CCCC1	2035574919	BZQDNKSUERBLAC-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(CNC)(C[C@@H]2C=CCC2)CC1	2035591763	XAJXAOYEUYXFAY-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCC1)C1CCCCCCC1	2035601998	QTRCJPCLMFZCEA-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)c1cccc(C2CC2)c1	2036356122	VQOOZQIKLNGATH-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@](O)(C1=CCCCCC1)C2	2036664008	HNSLZCQHXWVRHL-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC(C)(C)CN1[C@H]1CCC2(CCCC2)C1	2037675531	NOHCTSYFBQKPNT-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CC(C)(CC[C@@H](N)CC1CC2(CCC2)C1)C1CC1	2037973679	BOZQTHUCOQEPOB-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CC2CC3(CC3)C2)CC1	2039386434	RCBDPPIQRFKRSY-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCCCC1)CC12CCC(CC1)C2	2039419182	CCJPPNHUMAVUPR-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC1(C)C)C12CCC(CC1)C2	2039866425	YJHUDARALYHTKF-UJEKJILKSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)C(C2CCC2)C2CCC2)C1	2040142031	MCCKEUHXILIXHC-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
CCCC(C)(C)CNCCC=Cc1ccccc1	2040721968	SSMRPRLPLFONPB-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)[C@@H]1C=CCCC1	2043188945	XCZOJMODMCJWSX-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@H]2CCC[C@@H](C)C2)C1	2045561362	FKDMHRCEMHZNSM-VRKREXBASA-N	248.410	4.764	0	10	BJAE	
CCC[C@H](C)C[C@@H](C[C@@H](C)c1ccccc1)NC	2045750616	WMSXUYZDEONTFN-UXLLHSPISA-N	247.426	4.595	0	10	BJAE	
CCN[C@@H](C[C@H]1CC=CCC1)C1(C(C)C)CCC1	2045798289	ZNLQPRWXDYSPCZ-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)C[C@H]1CC12CCCCC2	2047016251	NRIUIFFJPXZVJH-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CNC[C@@]2(C)CC=CCC2)CC1	2047716717	XOIGKYCGNREVFZ-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC2(CC2)C1)C1CCCCC1	2049860628	BSGCISUPXNHTGB-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CCCC2(CC2)C1	2049951148	MHJRBESWMPXCSG-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H]1C)[C@@]1(C)C=CCCC1	2050003212	NMGJOTSXXFBRQJ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC1(CCC(=O)c2cccc(F)c2)CCCCC1	2050495168	QFJBMOPPVHPOOS-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
Cc1c(C(F)(F)F)ccc(C(F)F)c1Cl	2054887086	HXEOLSIARGSXEQ-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@]1(N)CCCC2(CCCCC2)C1	2055301510	OBZNLSCAKUJWJH-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@H](N[C@@H]2C=CCCC2(C)C)CC(C)(C)C1	2055530211	YEEKJABDTCAVAR-SOUVJXGZSA-N	249.442	4.536	0	10	BJAE	
CC=C(C)[C@H](NCCC)C1CC2(CCCCC2)C1	2056783787	YYTTWIBIDJUONI-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C(C)(C)C1CCC1	2056876774	UCYHAYRDEUKRSV-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(NC[C@@H](F)C2CCCCC2)cc1	2058029915	KDWYNWKVZONROG-MRXNPFEDSA-N	249.373	4.579	0	10	BJAE	
CCCCCC1CC(NC[C@]23CCCC[C@@H]2C3)C1	2059395928	SGWRYYURQMGQON-MNAZLIDISA-N	249.442	4.515	0	10	BJAE	
CCc1c(SC)ccc(C(F)F)c1Cl	2060059380	IEYVIIFAEZTCEZ-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CSc1cc(Cl)cc(C(F)F)c1Cl	2060065664	IWJQAOXOYMYEMB-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
CCCC1([C@H](NCC)C2=CC[C@H](C)CC2)CCC1	2060926563	RXDYXRJSAQGUPS-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@](C)(N)C2CCCCC2)CC1	2061119443	PFHVBZVRFWMBKW-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@]2(N)CC[C@@H](C)C[C@@H]2C)CC1	2061121161	CXOGWOUWSZAVBW-WBTNSWJXSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CC[C@@]23CCC[C@H]2C3)C1	2061606242	KIJPDOFGBOXNLR-PNBKFKSVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@]23CCC[C@H]2C3)CC1	2061618881	XIKMNPONUMKXHJ-LTIDMASMSA-N	249.442	4.645	0	10	BJAE	
CCC1([C@H](CC[C@@]23CCC[C@H]2C3)NC)CCCC1	2061625315	DEAXARAQCFDXGL-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C1CC(=C2CC2)C1	2061650595	LSKZJNUKROKNTE-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC2CC(=C3CC3)C2)CC1	2061691647	RPHWEXLGMVZNEY-SUMWQHHRSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]21)C1(C)CCCC1	2067515981	BIDRLZLTBGRXTQ-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@@H]3CC[C@@H]3C2)CCCCCC1	2068710974	OZTLHXQWRLKMAA-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc([C@](O)(CC)C[C@@H](C)C(C)C)cc1	2068817522	GOBOMDUWPURPEX-PBHICJAKSA-N	248.410	4.529	0	10	BJAE	
CC(C)Cc1ccc([C@H](N)C[C@@H](C)C(C)C)cc1	2069004020	PZFHLSPPWYYLMI-RHSMWYFYSA-N	247.426	4.567	0	10	BJAE	
C[C@H](Nc1ccccc1C1(C)CC1)C1CC=CC1	2070796996	SYCWOAPFKORHMG-ZDUSSCGKSA-N	241.378	4.505	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@]23CCC[C@@H]2C3)CC1	2070926391	MOPMROZCFQJEBX-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2CC[C@H]3C[C@@H]32)CC1	2070998008	DQHGJAPJWSKIJV-IEKCDTDMSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(OCC2(C(C)(C)C)CCC2)cc1C	2071917394	KJSMETCZVIHVCX-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)c2coc(C)c2)CC1	2072799808	XKZLRYZAKWVTAY-IIAWOOMASA-N	249.398	4.584	0	10	BJAE	
CCCC1CCC(C[C@@H](N)c2occc2C)CC1	2072800537	FJRGRSHHMFRDGA-YMAMQOFZSA-N	249.398	4.584	0	10	BJAE	
CCC1CCC(C[C@@H]2CC[C@H]3CCC[C@@H]3N2)CC1	2072813984	XZYNFXYXRAPVOP-JWRYVHENSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@]23CCC[C@@H]2C3)CC1	2072878770	PNTMAHJZZVBKDA-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC(=O)c2ccc(CC(C)C)cc2)CC1	2074589124	BPVJDFGVDUTVBC-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCC1(C[C@@]2(N)CC(C)(C)CC3(CC3)C2)CC1	2074628218	CJQUFBIPQIDCQD-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCC1(CC)CC(N(C)CCC2=CCCCC2)C1	2075149515	ZSJHKQJRFPMBTD-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC1(CC[C@H](N)[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079429348	WGEGQOAYSCRELU-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN[C@H]1CCCCC12CCCC2	2079449405	CFFIZNXUTCTNIR-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1ccc([C@@H](C)CC)cc1	2079476630	RLPZLGVQLZCCLR-MAZHCROVSA-N	244.378	4.819	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)C1(C)CCCC1	2079533349	WHBBUUVGCKUYJP-IMJJTQAJSA-N	249.442	4.514	0	10	BJAE	
C(CCN[C@@H]1C[C@H]1C1CCCCC1)CCC1CC1	2079539929	ZHMWJURUETXNTI-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)C1(C)CCC2(CC2)CC1	2079634180	RTAUHIFVZYAWSF-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(CNC(C)C)CC=CCC1	2079670045	KKGGAROBPIWLLU-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@](N)(C[C@H]2C[C@@H]2C2CCCCC2)C1	2079832997	QENFYKRRZLNMJN-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@]2(CC1)C[C@@H]2CNC1CCC1	2083186692	CEMMMAXABWEUKA-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@](C)(N)CC1C2(CCC2)C12CCC2	2083540085	UEYWIBFOVOMLAN-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC(=O)CC1CC2(C1)CC1(CCC1)C2	2083615630	ODHBUGCSAHYOAD-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1scc(C)c1C	2210568532	YRYDBOFFZKIOLQ-STQMWFEESA-N	240.412	4.615	0	10	BJAE	
CCC[C@](N)(CC)CC1C[C@H]2CCC[C@H](C1)C2	2213296071	GTTFYWTUIHKPDE-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
C[C@H]([C@@H](O)CCCCCCC1CC1)C(C)(C)C	2213578833	AKNJGMUCYFTDDG-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
Cc1csc(C(=O)[C@@H]2CCCC3(CC3)C2)c1C	2213636206	KPUPCZASBGXISO-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)[C@H]1CC[C@H](CC)CC1	2215345628	LACFYKZOODZOAH-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)(C)C1)[C@@H](C)CC	2215399393	VWEDDVSZGOLMEP-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CCCF)CN[C@H](C)CC	2217123894	CFCYFIVCEIRJJI-CABCVRRESA-N	245.426	4.711	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC(C)(C)CC)C1CC1	2217146021	VLVXBZBFMFGIQC-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218341529	XBRCRZWKLSJNFL-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
C[C@]1(CC2C[C@H]3CCC[C@H](C2)C3)CCCCCN1	2218367612	RZVUDUOFVZRJMC-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCC1CC1)CC1C[C@H]2CCC[C@H](C1)C2	2218385705	OJWPOSOXXZQCBI-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CCCCC1)NC1CC(CC2CC2)C1	2218477949	ITSMIFSPIHMJBN-NVPAJSRCSA-N	249.442	4.514	0	10	BJAE	
C1=CCCC(CNCCCCCCC2CC2)CC1	2218727609	SPZZHXZTVCQAPB-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
N[C@H](CC[C@@H]1CC12CCCCC2)C1CCCCC1	2220301827	YEOMGCCENVSKLY-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1(C)CC(C)(C)C1)[C@@H]1CC=CCC1	2221041771	UTVAZAFEGSJORA-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](N)c1ccc(CCCC)s1	2242599611	ZBSPWCRSMSYYQD-CYBMUJFWSA-N	239.428	4.671	0	10	BJAE	
Cc1cc(CC2CC=CC2)cc2ccsc12	2243785725	KWDBBHRTNRVXMB-UHFFFAOYSA-N	228.360	4.718	0	10	BJAE	
CCCN[C@@H](c1ccsc1)[C@H](CC)CCC	2244784352	MZWXAKWLXWQTKV-TZMCWYRMSA-N	239.428	4.615	0	10	BJAE	
CCCCC[C@](C)(O)CC[C@@H]1CCC[C@@H](C)C1	2246689450	AURWJHADIFEGSR-PMPSAXMXSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)CCC2CCC2)C1	2246724285	DGUPPUVPCCQVQP-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C[C@H](N)c1cc(C)c2sccc2c1	2248580146	UXAACIMEQADLRG-YGRLFVJLSA-N	247.407	4.646	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H](CC)CCC	2250363717	BADHMBXYKYPJPQ-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC[C@@]1(C)O	2250466345	DBTKZTHHURLXFI-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(O)CCC1(C)C	2250496105	OUYDGPLVVXVNPB-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)C[C@@H]1CCCCC12CC2	2253805077	LEFPKMZEIVERPO-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC1(CCC[C@H](N)C[C@H]2CCCCC23CC3)CC1	2253805201	FWFDEQWQYKHDCB-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
Cc1cccc2c1N[C@@H]([C@H](C)CCC(C)C)CC2	2253871986	SRPXUPRUDDJHTJ-CZUORRHYSA-N	245.410	4.794	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1CCC2(CCCN2)CC1	2254523222	RMOLTKKERPQCPA-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)[C@H]1CCCC2(CC2)C1	2254599069	SZCYYRTXOJAUME-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CN(CC1=CCCCC1)[C@@H]1CCCC(C)(C)CC1	2255059744	YMCCQSGFAKTKFR-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CCC[C@](N)(CC[C@@H]2CCCC23CC3)C1	2255223029	FPWIFMDFCOFLOQ-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@](C)(CCC[C@H]2CCCC23CC3)CN1	2255256705	QXQIUIGCQFWVDO-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(NC2CCC(F)CC2)cc1	2259149176	VQJKBCMULYFLAM-XEBKBJJBSA-N	249.373	4.893	0	10	BJAE	
Cc1cccc2c1ccn2C[C@]12CCC[C@@H]1CC2	2260578785	NJCVAMXXIZCIRE-RHSMWYFYSA-N	239.362	4.530	0	10	BJAE	
CCc1ccccc1NC[C@@]12CCCC[C@H]1CC2	2260621469	LPTCJJCEEMTGSL-RDJZCZTQSA-N	243.394	4.631	0	10	BJAE	
CC(C)(C)CCNCc1cccc(C(C)(C)C)c1	2261407872	CRMAQGGGHYXUID-UHFFFAOYSA-N	247.426	4.510	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CC[C@@H]1CCC[C@@H](C)C1	2298256263	DSRHLNPQJLPNOT-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC1CCC1)C(C)(C)C	2298937515	YZWAJXOXVXREDJ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)c2cc(C(C)(C)C)[nH]c12	2300647075	ULWGJCNEHHKYCK-UHFFFAOYSA-N	229.367	4.897	0	10	BJAE	
CCN[C@H]1[C@H](CCC(CC)CC)CCC[C@H]1C	2300682203	WSGTUYHTDZKFKH-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](CC)CC[C@@H]1CN	2300702176	VSJCIEGCOKYGHF-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
CCC(C)=CC[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2300877713	UGCGTERVDBBECR-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCCCCC1(F)F	2300906227	GGPQDNKSKXRROH-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
CN[C@@H](CC=C(C)CCCC(C)C)C1(C)CC1	2300937445	OHWFNTASIXCFJD-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](O)CCC[C@@H]1C[C@H]2CCC[C@H]1CC2	2301238332	GCQOCPXVDXRDIZ-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)[C@H](C)S[C@H](C)C3	2301730571	SALJLMJGTXSGEC-MNOVXSKESA-N	245.391	4.524	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CC[C@@H]1C(C)(C)C)C(C)(C)C	2303444447	JXIHXGJSHBIXCR-AGIUHOORSA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@@](CO)([C@H](C)CCC(C)C)CC1	2303584829	SKSUBVCWCRACKU-CVEARBPZSA-N	238.415	4.558	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@@H]1CCC(C)=C(C)C1	2303590061	UVGSKDAHHLBGTB-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)CCCC(F)F)C1	2304426017	QWDPGDHQUILDLY-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)CCC(C)(C)C2)C1	2304435163	MQBKHYDONWSGGI-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](N)(CC)CC[C@@H]1CCC(C)(C)C1	2304447542	PCNSNKMRSBHNQD-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(N)CCC12CCCCC2	2307826331	LICPGDDYGHUSKL-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@]12CCCC[C@@H]1CC2	2307898906	NUZBRFVGNNFCRZ-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309168882	ZFQRNWWOUDYQRF-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H]1CC[C@@H]2C[C@@H]2C1	2310191616	HXJPBWJOSZFTEW-DDBYYKKRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](c1cccc(N)c1)C(CC1CC1)CC1CC1	2313687623	ZBGAZHSKNLRLMO-LBPRGKRZSA-N	243.394	4.589	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)c1ccc(C)c(CC)c1	2314698050	VMTYMMNSQVAWSC-DLBZAZTESA-N	247.426	4.630	0	10	BJAE	
CC(=CCN[C@H](C)[C@@H]1CCCC(C)(C)C1)C1CC1	2315273896	URFCOCAYBFKXRG-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c2c3c([nH]c12)C1(CC3)CC1	2316176173	ODOYTGQJHVAOHQ-UHFFFAOYSA-N	239.362	4.578	0	10	BJAE	
CCN[C@H](CCC=C(C)CC)c1cccc(C)c1	2316555841	CECRUVNIAOXAIN-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CCC(C)=CC[C@@H]1CCCCC[C@H]1CNC1CC1	2316567360	HLVXMAFFSFAKKN-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(CCC(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2317004993	RRUKQVNYNBGDQL-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317126361	GPEPPPLHAYXEDE-KCYZZUKISA-N	249.442	4.523	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H](C)[C@H](C)C(C)C)cc1	2317829271	YDFPVXULVIWHEI-JKIFEVAISA-N	248.410	4.772	0	10	BJAE	
C1=C(CCCc2cccc3[nH]ccc23)CCCC1	2318499862	ODCVFIBLEVSPOP-UHFFFAOYSA-N	239.362	4.991	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@]12CCCC[C@@H]1C2	2318502820	LBKMEIRMVNISBZ-NVXWUHKLSA-N	246.394	4.807	0	10	BJAE	
CC1(C)CCC[C@]1(CN)CCCC1=CCCCC1	2318586953	OLRBLEUFKCPFLU-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@@H]2CCC(C)(C)C2)cc1C	2319080321	NZZATZJKLANVCO-HOCLYGCPSA-N	246.394	4.553	0	10	BJAE	
CCc1ccccc1C(=O)[C@H]1CC[C@@H]1C(C)(C)C	2320213987	SSLLILZDMXXNCG-GJZGRUSLSA-N	244.378	4.504	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CCC[C@@H](C)CC2)CC1	2320267347	DQMDGYOMXRBJSF-XYPHTWIQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@H]2CCC(C)=C(C)C2)C1	2320420463	PUYVBWCWFVRAAR-JYJNAYRXSA-N	248.410	4.908	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)c1cccc(C(C)C)c1	2320568345	ZJIUWBOCQJVVLO-ZFWWWQNUSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C23CCC(CC2)C3)C1	2321611778	UIFGBTKPEKTLDA-TUBUQKNSSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@@]23CCC[C@H]2CC3)C1	2321634942	WOOPCFOLEGQKSS-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@]1(O)c1cc(C)ccc1C(C)C	2327709214	XIJWWKFGFXVKEU-YOEHRIQHSA-N	246.394	4.516	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1cccc(C(C)C)c1F	2327764456	DVZRBPGIKLOFMG-OLZOCXBDSA-N	249.373	4.797	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc2[nH]ccc2c1	21054541	VXMBPTPVTVAUMI-JSGCOSHPSA-N	244.382	4.795	0	10	BJAE	
Cc1ccccc1N[C@H]1C[C@H](C)CC[C@@H]1C(C)C	21514616	NNHFFAKNLHWZMW-UNEWFSDZSA-N	245.410	4.868	0	10	BJAE	
CCCN[C@@H](c1ccc(C)c(C)c1)C(CC)CC	35572917	WDKKDUDLEOJEOO-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](CC(C)C)c1c(C)cc(C)cc1C	35582130	PPMZWQCJOJXBLE-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)c2ccccc2C)C1	83639698	OHDDGNFIHLHQHN-ARFHVFGLSA-N	245.410	4.614	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCC[C@H](CCC)CC1	87187537	QIWGYVSGOWSXHD-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
Cc1cc(C)c(NC[C@@H]2CCC[C@H](C)C2)c(C)c1	89607905	BGNYSEKVCGSAEW-BLLLJJGKSA-N	245.410	4.850	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C2CCC(C)CC2)C1	93123240	TVBTTYGAIPHENV-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1CC[C@@H](CC)C1	94984869	VLXQSPWDNVCOTI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCCC[C@H]2C)c(C)c1	109899294	VXVMQZOCPVKJEZ-IUODEOHRSA-N	231.383	4.602	0	10	BJAE	
CCCCCC[C@H](C[C@@H](C)C(C)(C)C)NC	124874078	JMEMQRAPVGZMGT-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC)C1CCC2(CCCC2)CC1	130438037	GJNNQGRTCBHXRC-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)COc1ccc(F)c(C)c1	135406021	GWBAXERYKSQQIP-ZDUSSCGKSA-N	238.346	4.729	0	10	BJAE	
CCC(CC)COc1cc(C(C)C)ccc1C	149506041	BUZDFTZJEQWUPO-UHFFFAOYSA-N	234.383	4.933	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)C2CCCCCCC2)C1	158925804	FAEGAZUDXIYZDN-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)c1cccc(C)c1C	162079299	SDRRFXGTSAWYQQ-GUYCJALGSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H](c1ccccc1)C(C)C	163848616	ULBIVAMDDVNSAX-DJIMGWMZSA-N	245.410	4.552	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)c1ccoc1	164967576	USQRVQHJANMWHR-MRXNPFEDSA-N	249.398	4.681	0	10	BJAE	
Cc1cccc(C(=O)C2C[C@@H](C)C[C@H](C)C2)c1C	165996788	GITDRXSYNRZUTA-RYUDHWBXSA-N	244.378	4.558	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC1CCCCC1)C(C)C	203300463	VDLWYXDCZAFBFG-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1[C@H](C)NCCCC1CCCC1	225000991	SKGYLAUQVAWEPJ-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
c1ccc2c(c1)NC[C@H]2CCC1CCCCC1	232451430	GDRJCQUQQCGAEZ-CQSZACIVSA-N	229.367	4.556	0	10	BJAE	
N[C@H](C1=CCCCCCC1)c1ccc(Cl)cc1	236315602	SHRIXRGRNLJXCR-OAHLLOKOSA-N	249.785	4.620	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(C)c(CC)c1	300936555	XABPOBGPSXCECL-ZDUSSCGKSA-N	219.372	4.548	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CCC2CCCCC2)CC1	302298103	YYNBPOPLTLDFNE-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CCCCC1(C)C	304136544	DLDCSLFXZZJFMB-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)C[C@H](C)C(C)(C)C	305910049	HVEGWKXQTSOVQX-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@@H](CCCC(C)(C)C)CC(C)C	305911498	IMVVPSGMULDWJM-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
CCc1cc(N[C@@H](CC)c2ccco2)ccc1C	306002912	LEGHZMGQQMVLNF-HNNXBMFYSA-N	243.350	4.714	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H](C)C1CCCCC1	306049162	OYLRQZSYBYCXGX-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
Cc1cc2c(Cl)c(C(F)F)ccc2s1	306584312	RNBILYBJWVTNAN-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)c1ccc(C)c(C)c1	308042129	BPTXBGDKLQWZHF-DOTOQJQBSA-N	247.426	4.766	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)c1ccccc1CC	308053717	NFVFSRLDKBNGAK-RDJZCZTQSA-N	247.426	4.711	0	10	BJAE	
CCC[C@H](CC(C)C)c1nc2cc(F)ccc2[nH]1	308060055	XQBVSAFVRJQUST-LLVKDONJSA-N	248.345	4.632	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1ccc(C)s1	308100871	FBRBFMJFZDLRNG-LBPRGKRZSA-N	238.396	4.702	0	10	BJAE	
CCc1ccccc1O[C@H]1C=CCCCCC1	310057985	BMTHSWCHQZREQT-HNNXBMFYSA-N	230.351	4.517	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@H](C)C(C)(C)C	310085543	GOSRKKJAAXACDF-IUODEOHRSA-N	234.383	4.526	0	10	BJAE	
c1ccc(-c2ccccc2N[C@@H]2CC[C@@H]3C[C@@H]32)cc1	311901980	YGCQVMMXOCHLSA-UWWQBHOKSA-N	249.357	4.564	0	10	BJAE	
C[C@@H](N[C@H]1CCCC12CCCCC2)C1CCCC1	313001900	BXDBXUFDAJBGKB-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1NCCCC(C)(C)C	313251116	IBMKCPDVCRTAHE-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@@H](C)[C@@H](C)CC	320105649	QRYHRJFZYLELCK-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
C/C=C\CCNC1CCC(C(C)(C)CC)CC1	382983622	SFAZAYNWFCARSU-ALCCZGGFSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1csc2ccccc12	383120618	FXFHYXNODVGRNS-ABAIWWIYSA-N	247.407	4.727	0	10	BJAE	
CC(C)CCCCCC1(N)CCC(C)CC1	383218439	RDHXZAROMBJTRI-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H](C)C(C)(C)C	383256148	WZZXKXXYQWLVPG-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H]1CCCC[C@@H]1C	384519029	JKGASNLECXVAGQ-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)C(=O)CCC1=CCCCC1	385667572	HAVPXCZVMSUGSC-ZDUSSCGKSA-N	222.372	4.662	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@H]1Nc1ccsc1Cl	387186549	FOPAXHHFEOBKCT-KXUCPTDWSA-N	243.803	4.638	0	10	BJAE	
CC[C@H](N[C@H](CC)c1ccccc1)C1CCCC1	387505280	DKHFSRCDGOWHQF-SJORKVTESA-N	245.410	4.696	0	10	BJAE	
CCc1cccc(C)c1N[C@H](CC)C1CCCC1	387596021	URQQVESKWLQIKC-MRXNPFEDSA-N	245.410	4.938	0	10	BJAE	
CCCN[C@@H](C)/C(C)=C\C(CC)(CC)CC	395131526	RVQYLEMKTZZORA-DINCDJDBSA-N	225.420	4.537	0	10	BJAE	
COc1cc(Cl)c2scc(C(F)F)c2c1	396287376	CUVYQCPZMIVHEK-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@H](C)CCC2CC2)c1	398045393	SQWUEUOJPUAQFK-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
C[C@H](C[C@@H](O)C1CCCCCCC1)C1CCC1	398632765	SHXMZIZOLZKEPC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)Cc1cccc([C@@H](N)[C@@H](C)C(C)(C)C)c1	399036135	AJGIYGVPEDJHKW-CJNGLKHVSA-N	247.426	4.567	0	10	BJAE	
CCc1ccccc1NC[C@H]1CCCC[C@@H]1CC	401598233	XOJWAUVJPZBQNW-GOEBONIOSA-N	245.410	4.877	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H]1CC=CCC1	402262516	GVRZVHDYYDOXOB-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
CCCC1(CNc2ccc(C)cc2F)CCC1	687525667	FKUUROGFRCRJFB-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CC(C)CCCC1(CNC2CC2)CC2(CCC2)C1	691484144	AHLNVSGHVGKJAX-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@]12CCCC[C@H]1C2	693182707	MOKMAPCERCFGGU-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCC1(CN)CCCCCC1	696780213	FYYLMBGWHYQTSD-UHFFFAOYSA-N	225.420	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC2CC3(CCC3)C2)CC1	700793799	JWPBKURCZQPTQU-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCCC[C@H]2C2CC2)C1	704475693	WZEPVPXUGCQNJX-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C[C@H]1CCc2ccccc2N1	704834098	IARWTHHERCEZSF-FVQBIDKESA-N	243.394	4.630	0	10	BJAE	
CC(C)CCCCC[C@](N)(C1CCC1)C1CC1	705340364	FGVNGKYAOZBUAJ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)C1CC(C)(C)C1	706179815	HEUWTNLNINATGE-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CC[C@@H]3CCC[C@@H]32)CC1	707841570	AESULTILUIOQGX-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(O)CCCCC[C@@H]2C)C1	709195460	RJQMAFVFTIWALS-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC(C)C)[C@@H]1CCCC(C)(C)CC1	710052607	DCQDPFVKZOEGBW-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(O)(C[C@H](C)C(C)(C)C)CC1	710744889	ZAXSXJDAOOTPKY-HLIUYOAVSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@H](C)C(C)(C)C	710752485	UFOVUBPQQIYERZ-STQMWFEESA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](CCC(C)(F)F)C[C@H](C)CCC	714027588	MYWLQOYBRBQBSG-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)c1ccc(C2CC2)s1	716656669	GGQNNQSSFLSHLR-LLVKDONJSA-N	248.391	4.635	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)CC(C)(C)C	718495200	OIGCXOPDFXKIDR-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@]2(CN)CCC=CCCC2)C1	719341743	ZVVCUQPNXFHBEJ-LTIDMASMSA-N	249.442	4.524	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](N[C@H]2CC23CCC3)CC1	721180096	YNNJAJMFPUIXEH-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(N[C@H](C2CCCC2)C2CC2)CC1	723961215	URNDKUVCZMUTNS-MRXNPFEDSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H](C)NCc1ccc(CCC)cc1	1177148265	BNXYRKNUPWTTPZ-HNNXBMFYSA-N	247.426	4.698	0	10	BJAE	
CCC(CC)N(Cc1ccccc1)[C@H](C)C(C)C	1880408918	FKDHCPMNYDFTKV-OAHLLOKOSA-N	247.426	4.722	0	10	BJAE	
CCC(CC)CCC1(N)CCC(CC)CC1	1900713087	MWUUFLGWIYCKMM-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Oc1ccc(Cl)c(F)c1	1901681774	HRHBDLTUPMZCTI-UWVGGRQHSA-N	244.737	4.539	0	10	BJAE	
CCCCC[C@](C)(O)SCC1=CCCCC1	1904891421	OWLFMTSLNPQDHR-CQSZACIVSA-N	242.428	4.509	0	10	BJAE	
CC(C)C1(CN[C@H]2CCC3(CCCCC3)C2)CC1	1915868499	LSBDPQGAWFPAJM-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
c1cc2cc(N[C@@H]3CC[C@H]4C[C@@H]4C3)ccc2s1	1917349828	QIIKUBGDHUIPRV-CYZMBNFOSA-N	243.375	4.502	0	10	BJAE	
CC(C)[C@](O)(CC1(C)CCCC1)c1ccccc1	1919936106	WXHOHUYAPGZOOE-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CCC(C)(C)C1CC1	1919936585	BXYLABQDPNBBJL-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@](O)(CC)c1cccs1	1919942540	DDAFHGNGUZGLLX-CQSZACIVSA-N	240.412	4.562	0	10	BJAE	
CCc1ccc([C@](O)(CC)[C@H](C)[C@@H](C)CC)cc1	1920043481	MZBCLKRCEABGID-VBQJREDUSA-N	248.410	4.529	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@H]1CCCC12CCC2	1921636254	MVDDOFJHUOMVND-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)Cn1ccnc1C1CCCCC1	1923569756	ZBWANYWZZFSXPG-AWEZNQCLSA-N	248.414	4.613	0	10	BJAE	
C[C@H](C[C@@H](O)[C@H](C)C1CCCC1)CC(C)(C)C	1923890794	UXAYVQCHAMCWAG-UMVBOHGHSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CCC[C@H]1C)C1CCCCC1	1924096361	CDPYKESHCXKJTL-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
Fc1ccc(Cl)c(C[C@H]2C=CCCCC2)c1	1925815935	BDPNJZDAGJJFBC-NSHDSACASA-N	238.733	4.768	0	10	BJAE	
CCN[C@H](CCC(C)C)C[C@@H]1C=CCCCC1	1925916110	RYQWXDVWNSFHEP-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](C[C@@H]2C=CCCCC2)NC)C1	1925944718	GFNOJFYMNDEMOY-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC[C@](O)(CC1(C)CCCCC1)C(C)(C)C	1935619389	AUEXDNCFQWNLJY-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H](C)NC1CC(C)(CC)C1	1939092476	PAUXGQNZWBHIAO-WLYUNCDWSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@@H](N)[C@@H]1CCCC(C)(C)CC1	1939902364	CUZIMUKKZUPEEL-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CC(C)C)[C@@H](C)C(C(C)C)C(C)C	1940254271	VWWWLEJILBVKBJ-HUUCEWRRSA-N	241.463	4.575	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)CCC1CCCC1	1940278573	CEAHNVUESBPXLP-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)CCNCC(C)(C)C1CCCCC1	1940759561	FJGFIZLPSFMTLT-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC1CCC(C)(N)CC1)C1CCCCC1	1940840681	ZLBPJWMVDPJPQC-VQCLRJIVSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@](C)(N)C1CCC(C(C)(C)C)CC1	1941155512	IIEJDCFIWRMXBA-ZBCRRDGASA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](C)NCCCCCC1CC1	1941581226	IKJXFBNOTZDASD-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)CC1CCC=CCC1	1941811351	DKEFPLXFEZZOMT-HOTGVXAUSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC1C[C@H](C)C[C@@H](C)C1	1944200096	SBJJRJCAWIOHPT-UMVBOHGHSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)c1nc(C2C[C@H]3[C@H](C2)C3(C)C)cs1	1944701187	HTKMNOSYEPNVQW-QWRGUYRKSA-N	249.423	4.590	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CC1CCC(C)CC1	1948932633	ORTDOOCDSABRMB-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)(CC1(CC)CCC1)[C@H]1CC1(C)C	1948979057	DHWHTIJALCHKLU-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H](C)C1CCC1	1949039074	AOLCOQSRBJYZRR-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCCC(O)(CCC)[C@H]1CCC2(CCCC2)C1	1949454649	YREHERSOWNEKCV-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@]1(CNCCC)CCC[C@H](C)CC1	1950923263	SMZUUUABSOSOLM-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@@H](C)CC1)C(C)(C)C	1950929037	DCOISQVXXHFAMW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@@H](C)c1ccc(OCC)c(C)c1C	1951308424	GTFIAGXKVIYOLH-GFCCVEGCSA-N	232.367	4.772	0	10	BJAE	
C1CCC(CCCNC2C[C@H]3CCCC[C@@H]3C2)C1	1965872164	YFVUBUJMWPBFHN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](N[C@H]1C[C@@H]2CCCCC[C@@H]2C1)C1CCC1	1967822098	IUALTOKVLVUCPF-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](CNc2ccccc2Cl)C1	1968255741	BYLORIHGTFBKPP-NSHDSACASA-N	237.774	4.578	0	10	BJAE	
CCC1(CC)CC(Nc2cccc(Cl)c2)C1	1968258945	DTQHUKWFUZLCLA-UHFFFAOYSA-N	237.774	4.721	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1CCC2(CCC2)C1	1968311108	XLKWECSXQRSMHI-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H]1CCCC2(CCC2)C1	1968330470	ZGUZGZXRAOMPLV-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCCCC[C@H]1N	1980335530	AYCCBCVNPBCSIZ-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CC(C)C(C)(C)CC(=O)CC1(C)CCCC1	1980381499	ZYOKDTIOLGMNJA-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCCOc1ccccc1C(C)C	1984581185	RVSMCKXPARCHDN-SNAWJCMRSA-N	218.340	4.545	0	10	BJAE	
CC=CCCCCC(=O)c1ccccc1Cl	1984591190	LWHMQWYIHABCOM-UHFFFAOYSA-N	236.742	4.659	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CCC[C@@H](C)CC1	1984591227	MIMJWGHUJRZDEH-JKWAOEONSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCC=C(C)C	1995262658	OZAZNKTVIDMDJG-LSDHHAIUSA-N	225.420	4.667	0	10	BJAE	
C[C@H](CN(C)[C@H](C)CCC1CC1)CC(C)(C)C	1995742740	AAUCTCNVVSWZJI-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@@H]1CCCCC[C@H]1C	1995757915	NYIWHOQVTLJUQZ-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCC[C@](N)(C[C@H]1CC[C@H](C)C1)C1CCCC1	1996249541	GLNQYKFFEJEDJO-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNCC(C)(C)CC)CC1	1997215176	NRJBEGFWKXVJGG-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C1(C)CC=CC1	1997554119	NJHXWMYYQJMKFG-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@]2(C)CC=CCC2)C1	1997606846	PDGBMKRABPEHCM-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
CCC1(CC2(N)CC(C)(C)C(C)(C)C2)CCC1	1997766523	NXDVOFSWUBEQOA-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC1CC([C@H](C)Nc2ccc(C(C)C)cc2)C1	1998656465	ANUWOFZNKYUHQB-OWYJLGKBSA-N	231.383	4.657	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)C[C@@H]1CCC=CCCC1	1999995820	JDUUWDYFUKTOAA-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)(CC)C(=O)CCC[C@H]1CC1(C)C	2000215029	MPDKNWCAIRARRW-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)C1(C)CCCCCC1	2000373158	PRFKEIWGTLSJER-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CN)CC(C)(C)C(F)(F)CC	2000500665	WWHPQTKWNUOTMN-CYBMUJFWSA-N	249.389	4.603	0	10	BJAE	
CCC[C@@H](NCC)C1CC2(CCCCCC2)C1	2000670933	SHSCDLUZRGUPJV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
O=C(c1cccs1)[C@@H]1C[C@H]2CCCCCC[C@H]21	2001495720	ZFOROAWABJWEGS-JHJVBQTASA-N	248.391	4.537	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1C[C@@H]2CCCCCC[C@H]21	2001503596	IBPFTORXXUTISN-ARFHVFGLSA-N	231.383	4.636	0	10	BJAE	
CC(C)(C)CCCC(=O)C1[C@H]2CCCCC[C@H]12	2002150934	IHLDHKWRIGUIAG-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002220663	GLLNREUMQYSMCU-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
Cc1ccccc1C(=O)C[C@H](C)CCC(C)C	2003657878	YHUVEEKFKAZGAB-CYBMUJFWSA-N	232.367	4.640	0	10	BJAE	
C[C@H](N(C)C[C@H](C)CC(C)(C)C)C1(C)CCC1	2004814178	FWBTTWMMLIJAJK-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CN[C@@H](CC(C)(C)C)C1(C)CCCCCCC1	2004920795	NTPQHGFWYOWQIO-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H]1NCC1(C)CCCCCCC1	2004937551	QMRLWAHAYFTTOY-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@@H](CCCC(C)C)C1	2006623037	GZZKDYQBXMMHJM-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@@H](C)C(C)(C)C	2007623533	VBPGBFOCGGTJNL-RDBSUJKOSA-N	238.415	4.700	0	10	BJAE	
CCC[C@]1(CC(C)(C)C2CCCC2)CCCN1	2009067074	LHQZBBRXIMSDBU-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCC1CC(O)(CCCCCC(C)C)C1	2009717383	IVIDRXOBNJGOSF-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)C[C@H](O)C1=CC[C@@H](C(C)C)CC1	2010727011	UELKZAXFKIYHPA-HIFRSBDPSA-N	238.415	4.556	0	10	BJAE	
CCCCC(=O)CCC1CC2(C1)CC(C)(C)C2	2011845167	GLVVDDIOXGCRQP-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](CCC2CCCCC2)C1	2012084271	MXXNUHWADNCONY-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
C1CCCCN(C2CCCCCC2)CCCC1	2013181323	VZSKZABMJFPWNM-UHFFFAOYSA-N	237.431	4.756	0	10	BJAE	
CC(C)C(C[C@@H]1C(=O)C[C@@H](C)C[C@H]1C)C(C)C	2015387466	JFGBRKXJXHQQJZ-GUTXKFCHSA-N	238.415	4.556	0	10	BJAE	
CCC1(CC(=O)[C@@H]2C(C)=CCC[C@@H]2C)CCC1	2015584197	FLFRVIZKEKFHBT-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H](CNc1cccc2ccsc12)C(C)C	2016108608	GFMHCTRCVQKKNB-LBPRGKRZSA-N	247.407	4.995	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@]1(C)C[C@@H]1C)NCCC	2016453459	AGHQWOYTWIHXOP-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(CC(C)=C(C)C)CCC1(C)C	2017467261	UXAWOYXDDHVNGA-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@H](C)CC(C)C)CC1	2017654476	DVRNAMLWZUPNHY-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)CC2CCCCC2)CC1	2017727987	GNEUZGRYMZMTIW-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CC2CC(N)(CC)C2)CC1	2017734009	QGWVBRNUUFWRDB-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CC[C@H](C)C2=O)CC1	2017772100	NQCCDWZLRGNPGT-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CCC2(C)C)CC1	2017774161	LADHFLKWTURTQV-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCC[C@H](CC)C2)CC1	2018915254	FDMSMBAEDZZGMP-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)C(C)(C)C(C)C	2018997266	XYPULPCNVLUAKP-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CCCCCC(C)C	2019340652	QNWCUUMUCZERPY-HNNXBMFYSA-N	241.463	4.959	0	10	BJAE	
CCCCCC[C@H]1CCCC(C)(C)[C@@H]1NCC	2020360426	GAZRYBUCVVNUNC-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N[C@@H]2CCC3(CC3)C2)cc(C)c1Cl	2021770864	JDRXADYULGERGR-GFCCVEGCSA-N	249.785	4.701	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1C[C@@H]1C1CCCCC1	2022438094	XMZVAHYKYOIZLE-ARFHVFGLSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCNCCCCC(C)(F)F	2023371682	YQWPMDVGXOMKEB-UHFFFAOYSA-N	249.389	4.618	0	10	BJAE	
CC(=C[C@H](C)CC(C)(C)C)[C@H]1CC[C@@H](N)CC1	2023546860	BURHMPVVTIQSLX-AEGPPILISA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](CO)CC1CC(C)(C)CC(C)(C)C1	2024122305	HIQHUIGXBBPBCZ-ZDUSSCGKSA-N	240.431	4.638	0	10	BJAE	
Clc1ccc2[nH]c([C@@]34CCCC[C@H]3C4)cc2c1	2024286481	KZUKJZCPGZNHIX-XHDPSFHLSA-N	245.753	4.653	0	10	BJAE	
CCOc1cc(F)cc(CCC(C)=C(C)C)c1	2024530686	WMYXGIWSVYDRHI-UHFFFAOYSA-N	236.330	4.513	0	10	BJAE	
CN[C@H](CCC1CCC1)c1ccccc1C(C)C	2027517430	HDEYSOWDUJUWFU-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@H](c1cccc(C2CC2)c1)C(C)(C)C	2028553192	WOXWYYJVJSSJEA-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cccc(C2(C)CC2)c1	2028553938	FKRLXTHKBMCPFC-CJNGLKHVSA-N	246.394	4.598	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)c1ccccc1C1CC1	2028615356	UKLAWNAHQLYWSF-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
c1cc(NCCCCCC2CC2)cc(C2CC2)c1	2028624967	DXDIBPTYQXSWJF-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CC(C)[C@H](C)[C@@H](N)c1ccc(C2CCCC2)cc1	2031745295	KVAFJVZYGZTBHU-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1)C(C)(C)C(C)C	2032344481	RRVMRMXCKHAEPH-INIZCTEOSA-N	247.426	4.718	0	10	BJAE	
C[C@@H]1CC[C@@H](NC2(C3CCCC3)CCC2)C[C@H]1C	2033048865	POVYXQQDXGINIT-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C2(O)CCCCCCCCC2)cc1	2035887638	QDVOGRUNRLYQOQ-UHFFFAOYSA-N	246.394	4.707	0	10	BJAE	
CCCCCC[C@@](C)(N)c1c(C)cc(C)cc1C	2037097149	HAOUNFBOIXPOLW-QGZVFWFLSA-N	247.426	4.756	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@H]1C[C@H]2C=C[C@H]1CC2	2037159054	IKVAZSBRINYKAU-MPTYRVRUSA-N	249.442	4.523	0	10	BJAE	
N[C@@H](CC1CCCCC1)[C@@H]1CCC2(CCCC2)C1	2037751426	GWLVPJOMGTZDDK-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1CCCCC1)NC1C[C@@H]2CCC[C@H]2C1	2038614611	OAJNNLMWBRAYBN-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@@H]2CC=CCC2)CC1	2039381928	VCINIUWXPIPCDY-WBVHZDCISA-N	249.442	4.668	0	10	BJAE	
CC(C)=C(C)CCNCC1CC2(C1)CC(C)(C)C2	2039457371	GGKRUFNSLIZRIY-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC1CCC([C@H](C)NCC2CCC=CCC2)CC1	2040639326	TYTULTPCHBCNNW-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCC3(CCC3)C2)CC1	2041289835	LONRMXZLCSITLQ-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)CC1CC2(CC2)C1	2045812916	LHIYYLFDYDKBPU-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(CN2CCCC23CCCCCC3)C1	2046561128	BCQPEAGUCZEPRT-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CC12CCCCC2)C1CCCC1	2047064271	CVLJRQMDUZPAPY-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048473982	WRZTYGNKDBFGAN-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@@H]1CCCC(C)(C)C1	2049491518	ZZFZXLVHZUGRBS-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@H]2CCC[C@H](C)C2)c1F	2049539405	GOWZPXTYQSDIDK-IACUBPJLSA-N	249.373	4.761	0	10	BJAE	
C[C@@H](CC1CCC2(CC1)CC2)c1cccc(N)c1	2049847893	FMFMYQOOVAJTDY-ZDUSSCGKSA-N	243.394	4.733	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H](N)CC1CCC2(CC1)CC2	2049851595	AGJJWJBBKOUSLK-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC1(NCC2CCC3(CC2)CC3)CCCCCC1	2049868024	YUWTZOICYCSMRN-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1ccccc1CC	2051406805	HEVGAMNCESTCIR-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H](C)C2(C)CCCCC2)CCC1	2055547022	QMKHAEYJNDPGCC-CVEARBPZSA-N	249.442	4.824	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H]2C=C(C)CCC2)CC1	2055552307	NTVZXQGJQCVRJW-ZGRYLRDCSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC(C)(CNCC2(C)CC=CC2)CC1	2056537357	KREOWTNUAKWTSJ-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CC1(C)CC1)C1(C)CCC2(CC2)CC1	2056553556	RQTGRQSAACFVLV-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC2CC(C3CCC3)C2)C1	2056670109	SYXROAYBMBHBKV-ZHGJTGPASA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@H]1CCC12CCC2	2059179063	YAQTZLNELWCEKB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2059202843	DGZDCBAEUMHBJJ-PPTSTLTQSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CC[C@@]12CCC[C@H]1C2	2061606217	KGCQASXTMIHLTA-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CC[C@]12CCC[C@@H]1C2	2061606219	KGCQASXTMIHLTA-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCC1CC(=C2CCC2)C1	2061639755	JIYXXFXWFHCSSM-ZDUSSCGKSA-N	249.442	4.681	0	10	BJAE	
O=C(CC1CC(=C2CC2)C1)C1CCCCCCC1	2061700532	XSPGGAACYBCIAS-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(CN)CCCCC12CCC2	2062647271	RNALLRQLEZCSKR-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CC1CCC2(CC1)CCN2[C@@H]1CCCC(C)(C)C1	2062763110	HJBBXEVFYQOCRA-ISXOHVOVSA-N	249.442	4.610	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H](N)[C@H]2CCC2(C)C)CC1	2068239558	NSOKTSAOSFJATO-RBSFLKMASA-N	249.442	4.523	0	10	BJAE	
NCC1(CC2C[C@H]3CC[C@@H]3C2)CCCCCCC1	2068771772	PDBHLBWYGRLJIR-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
Cc1cccc([C@@](C)(O)CC(C(C)C)C(C)C)c1	2068844756	QGVKAEDMSWLHLD-KRWDZBQOSA-N	248.410	4.521	0	10	BJAE	
CCCC1(C[C@]2(N)CCCC23CCCC3)CCC1	2069343459	AAAMUOLTOPKHED-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1(CC2CC2)CCC1	2069514513	KHWZYYUGPXRSJN-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C1CCCC1)C1CC1	2070406378	AKFVGZYYBTUXBK-YOEHRIQHSA-N	249.442	4.680	0	10	BJAE	
CCC1CCC([C@@](C)(N)C[C@@]23CCC[C@@H]2C3)CC1	2070925808	JPMUVFHQRFISNQ-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CC(=O)c1ccc(C2CCCC2)cc1	2071478274	IWWIVNDRJODOJF-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
Cc1ccc([C@@H](N)CC2(C(C)C)CCC2)c(C)c1	2071951209	XKQVKVPRMCPVOF-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)c1c(C)cc(C)cc1C	2072415874	AAJLGHFDEKQAFA-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](O)C(C)=C(C)C	2072439683	JLICLFYTFJOCTG-JQFCIGGWSA-N	246.394	4.534	0	10	BJAE	
CCc1cccc(NC[C@H]2CC[C@H](CC)CC2)c1	2072794708	XHVSYVDYZQNXDQ-KOMQPUFPSA-N	245.410	4.877	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC=C(C)[C@@H]2N)CC1	2072800991	JQSSJTGCVIOCPL-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@@H]2CCCC(C)=C2C)CC1	2072806970	QPDKUCASKWUXDA-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CNCC1(C[C@@]23CCCC[C@H]2C3)CCCCCC1	2074034788	SSNWHCZKONWXBV-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCC[C@@H]1CCCN1Cc1ccc(C(C)C)cc1	2074990792	BDPQKDXQIQSISB-QGZVFWFLSA-N	245.410	4.575	0	10	BJAE	
CN([C@@H]1CCC12CCCCC2)C1(C)CCCCC1	2075009275	UYEYGLHYNICCOV-OAHLLOKOSA-N	249.442	4.754	0	10	BJAE	
C[C@H]1C[C@H](Nc2ccccc2C2CC2)CC[C@H]1C	2077264724	YXZXVUMIIAXSIF-VNHYZAJKSA-N	243.394	4.801	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2C[C@H]2C2CCCCC2)CC1	2079437146	ZTOWXBYJYRDPSU-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H](CC)c1ccccc1	2079865196	NWWNXOIVYOGUPY-OAGGEKHMSA-N	244.378	4.576	0	10	BJAE	
CCCCN(C[C@H]1C[C@H]1C(C)C)c1ccccc1	2080094229	OYJJCOGUYJZWIA-WBVHZDCISA-N	245.410	4.585	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CCC[C@H]1CCCC[C@H]12	2081117567	FJXOBDAHEHCKFF-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NC[C@@]1(CC=C2CCC2)CC=CCC1	2081675934	BIAXNHXKSBWBCM-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)C)c1cc(C)cc(C)c1C	2082919671	SCZAAGQGVFIPJN-DYVFJYSZSA-N	247.426	4.555	0	10	BJAE	
CCC1CC(C[C@H](CCC2=CCCCC2)NC)C1	2084989044	NGFZJQQKJJKMAY-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N[C@@H]2CCC3(CCCC3)C2)C1	2085242613	JSXFZYVDKOXFDR-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C(C)(C)CCC	2212119396	KJLNSXPTPOMCTR-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CN[C@@H](C)CC)CC(CC)CC	2212595179	BMWZOVPYIYJFEJ-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CC1=C[C@](N)(CCCCCCC2CC2)CCC1	2213575234	DAEVKHHOOVDEQP-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
OC1(CCCCCCC2CC2)CCCCCC1	2213580874	PTVAWXDXYKPYGN-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(O)CCCCC1CC1	2214564849	YFOZOPJSRRYOOR-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)CCC1(C)CC1	2214569044	LYXRJAFAEIYTAJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC1CC(O)(CCCCC2CC2)C1	2214586569	WNFWKCXHMPGGLY-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1CC[C@@H]1C	2214924377	ZXPBLDSFCBNQPV-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1cccc(C(C)C)c1	2215314874	VGXDAVZBSOBQFR-DZGCQCFKSA-N	231.383	4.658	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@]1(C)CC=C(C)CC1	2215813994	PRSDQAFJNMWYFO-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
O=C(CCCCCCCC1CC1)CCC1CC1	2216880779	YXPWYINANCCTSD-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@H](CCCCC(C)(F)F)CN[C@H](C)CC	2217146833	DBTKKIUBNGGRJO-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CC)CCC(F)(F)CC	2217155465	CLGSBDFQBLELOT-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218331153	JXTREHRHUZZQEB-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C(=O)CC1C[C@H]2CCC[C@H](C1)C2)C1CCC1	2218380818	ULYAYRYMLQJABP-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCC1CC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2220038643	NRMHRBUFIDQIAQ-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1CCCCC1CC1	2220045518	OAAWAUZOQZJOAG-HIFRSBDPSA-N	243.394	4.802	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1c(C)cccc1OC	2220294826	QKYQPRLSVCAVGK-JSGCOSHPSA-N	249.398	4.630	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCC1(C)CC2(CCC2)C1	2220939395	MYBZRHGFJLRGPI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC2(C)CC3(CCC3)C2)C1	2221013413	JTNRRZKBDLLFFP-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CC2(C)CC(C)(C)C2)cc1C	2221085688	IIFBHMSEWWOOKG-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@H]1C=CCCC1	2223124310	YHOWLWCVXLWZFB-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C)NCC1(C[C@@H]2CCC[C@H]2C)CC=CC1	2223542711	SRWJIPQNNCGSDC-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCCCCN(C)Cc1ccc(C2CCC2)cc1	2223633855	BWQDZXPZQCAPSP-UHFFFAOYSA-N	245.410	4.576	0	10	BJAE	
Cc1cc(C=O)cc(-c2cccc3ccccc23)c1	2228993278	RKVSJWYBGOWUIC-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CCC(CC)C[C@@H]1CCc2cccc(C)c2N1	2246633770	DGPISFZHKOXURA-HNNXBMFYSA-N	231.383	4.548	0	10	BJAE	
CC(C)NCCC=CCC[C@H]1CCC[C@@H](C)C1	2246687049	LLQCBGILZRXDHW-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C(=O)CC2CC3(CCCC3)C2)cs1	2246820486	PLJMIFCEJVPBGJ-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCCNC[C@](C)(CC)CCCC[C@@H]1C[C@H]1C	2247167879	YWIKPTBGYSVQSO-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1C=CCCC1	2248866754	RKWRECRUCAFZQM-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1CCC(CC)CC1	2250377838	IFXCVCXXTUBUBC-SSHXOBKSSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H](C)C[C@@]1(N)CC(C)(C)CCC1(C)C	2251666124	OSNAJFPVMXSCOB-XJKSGUPXSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1ccc2ccsc2c1	2253057794	BGAGXDNQLRZKLJ-HIFRSBDPSA-N	248.391	4.617	0	10	BJAE	
CCN[C@@H](CC1(C)CC(C)C1)[C@@]1(C)C=CCCC1	2253770070	GDOGCNWVWDSQCM-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(N)(CC[C@@H]2CCCCC23CC3)C1	2253813570	UKKHLEFHPIUAFX-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CC1CC([C@](C)(N)CC[C@H]2CCCCC23CC3)C1	2253854259	MMONFYGJEFOFRS-GYTBAZASSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@]2(C)C=CCCC2)C1	2253924123	RNYLSVPRWBRFSC-VYDXJSESSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)CC1CC2(CCCC2)C1	2254115817	QJUWEFCHNBDRCI-ZBFHGGJFSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@H]2C[C@H]2C)c(F)c1	2254587737	GBVNXZLGWKLPHD-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC[C@@H]2CCCC23CC3)CC1	2255256296	NYFWEIXQLDNBPT-ZNMIVQPWSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](C(=O)CC[C@@H]1CCCC12CC2)C1CCCC1	2255304353	RBUMCVWDQGVIJE-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](C)C1CC(C)(C)C1	2256140946	DODDEMVWEGLCHA-NSHDSACASA-N	249.373	4.625	0	10	BJAE	
Cc1cccc(OCCCCC[C@H]2C[C@H]2C)c1C	2257247186	JMTBEHILQMWMLK-ZBFHGGJFSA-N	246.394	4.899	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@@]12CCCC[C@H]1CC2	2260532627	DHKUDNXBIVMZGW-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)CC2CC(CC(C)(C)C)C2)o1	2261268263	YOXFUMFZJQSWFF-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@@H](C)CC2CCC2)CC1	2298848679	DFKWXUNAIDHEDR-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@](C)(CC)C(F)F	2299828217	HYJBGORNSHNDMK-OCCSQVGLSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CC1CC(C(C)C)C1	2300471957	MQVBRSHNPLEDLP-UYSNPLJNSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCCC[C@H]1C[C@H]1C	2300478584	QHFJIQXKLAWUCE-OWCLPIDISA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CCC(CC)CC	2300678947	OPLHCBZWLWEQSN-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
Fc1ccc(C(F)F)c(CC2=CCCCC2)c1	2300772963	LWWPCLNQNZTKQB-UHFFFAOYSA-N	240.268	4.806	0	10	BJAE	
CCC(C)=CC[C@]1(CNC(C)C)CCC[C@@H]1C	2300860393	HAPZJRORHDDTET-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@H](N)c1ccc(C(C)C)cc1	2300874511	LCRBTTBJCJVZOQ-INIZCTEOSA-N	231.383	4.556	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H]1CCC[C@H](CC)C1	2300876574	HWHRODHRNPGMEL-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@]1(O)CCCCC12CCCC2	2300899422	NVNBJLMEZNIPJU-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCSc1ccc([C@H](N)CC=C(C)CC)cc1	2300899579	PQJGXMCFCYSUIS-OAHLLOKOSA-N	249.423	4.545	0	10	BJAE	
CCC(C)=CC[C@H]1[C@H](N)C(C)(C)CCC1(C)C	2300899818	RLDNZKKGIDEODE-KBPBESRZSA-N	237.431	4.523	0	10	BJAE	
CCC[C@@](N)(CC1CCCCCC1)C1CCC1	2301144238	BRRQGQJDEFFJJH-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](CNCC(C)C)CC1CCCCCC1	2301188175	IYIAYAPMSSFZLO-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)CCC1=CCCCC1	2301908797	WEXCFZWJKRSPTJ-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CCCCC1CC1	2302571558	LQNDTYOPAKFLSM-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CCC(C)(C)C1)C(C)(C)C	2302903459	ZQXUUVCDWARHFE-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CCCC[C@@H]2C[C@H]12	2302908773	XOKJFJIPZDXRQX-XBFCOCLRSA-N	249.785	4.639	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H]1C(C)(C)C	2303401466	MPENOESJNHTKNN-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CC(C)CCCC(=O)CC[C@H]1CCC(C)(C)C1	2304437840	SHUZWZBQRQHHRT-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)C[C@H](CC[C@H]1CCC(C)(C)C1)NC	2304438526	XFOGVVHDJFFOND-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@@H]1CC(C)(C)C1(C)C	2307760617	JMRIGBZVSDVQNA-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C[C@H]1CC[C@@H]2C[C@H]12	2308145810	UXGDQSSUBIMPHG-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]([C@@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2308421183	GDRJYTPPFKFXDK-XOSAIJSUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@]1(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCCN1	2309146592	UNXFDZBDMQSHMD-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)[C@@H]1CCCCC12CCC2	2311563776	QQTHBHIQQIYMNK-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C1CCCCCC1)[C@@]12CCCC[C@@H]1CC2	2313292753	WAYWLHHHHGMORQ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)[C@@]12CCCC[C@@H]1CC2	2313304701	AHMFISPEYNOWML-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CC1)[C@]1(CNC(C)(C)C)CC=CCC1	2313587955	RBUAEPJNSZPPHR-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CC1)N1CCCC[C@@H]1C1CCCCC1	2313601166	WVRSASLRZAPMCK-WMLDXEAASA-N	249.442	4.610	0	10	BJAE	
C[C@H](NC(CC1CC1)CC1CC1)C1(C)CCCC1	2313602475	AGXVGOVKJSHFCJ-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)c1ccc(C)cc1	2316510900	XMCHYEIBYATWBZ-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CC(=CC[C@]1(N)C[C@@H]2CC[C@@H]2C1)CCCC(C)C	2316569132	VBKIGLSTHXHOGW-BJWYYQGGSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316748277	YORPIDVTTDWKQL-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC)c1ccc(F)cc1C1CC1	2317098023	WTMJJNQCAIPRHK-MRXNPFEDSA-N	249.373	4.544	0	10	BJAE	
CCCC[C@H](O)CCC(C)(C)Cc1ccccc1	2317286152	XFWDQKWVKKKBRG-INIZCTEOSA-N	248.410	4.587	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)C[C@@H]2CCCC[C@@H]21	2318557830	OSWIQTLFHKXSPC-YESZJQIVSA-N	248.410	4.598	0	10	BJAE	
CN(CCCC1=CCCCC1)CC1=CCCCC1	2318569128	OITXXDWRVQNIJY-UHFFFAOYSA-N	247.426	4.699	0	10	BJAE	
Cc1ccc([C@@H](N)CC[C@@H]2CCC(C)(C)C2)cc1	2319316381	BJECAWSRFULJMX-ZBFHGGJFSA-N	245.410	4.601	0	10	BJAE	
CC[C@](C)(O)C[C@@H](c1ccccc1)C1CCCC1	2319671915	NJUIKUMREYPTML-IRXDYDNUSA-N	246.394	4.512	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCCC[C@@H]2C[C@H]12	2319741029	MZRANMPWCFSSNL-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(OCC[C@H]2CC[C@@H]2C2CC2)c1C	2319746858	AQRLILMZLUHSMZ-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)C1(C2CCC2)CC1	2320256756	RVZWFCUDMNZLBZ-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CC[C@H]2CNC(C)C)CC1	2320333830	KACUTVWMOVXZGY-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)[C@H]2C=CCCCC2)CC1	2320411988	MOUDNRNPLYHECZ-IRXDYDNUSA-N	247.426	4.554	0	10	BJAE	
CCCC[C@](O)(CC)Cc1cccc(C(C)C)c1	2320632622	CTYGWYXPULVDSP-QGZVFWFLSA-N	248.410	4.684	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)Cc1cccc(C(C)C)c1	2320659744	HAXSCMIHEXRMIA-WBVHZDCISA-N	247.426	4.506	0	10	BJAE	
CC(C)c1ccc(O[C@@H](CC2CC2)C2CC2)cc1	2320813712	QUNUVVLSXMPTPJ-KRWDZBQOSA-N	244.378	4.768	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccc(F)cc2O)c1	2327679434	CGEUEXVBDNKNQX-UHFFFAOYSA-N	244.309	4.630	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](O)c1cc(C)ccc1C(C)C	2327696310	CHDPIJADXMARQU-FRFSOERESA-N	246.394	4.588	0	10	BJAE	
CC[C@@H](C)[C@@H](C)NCCCCCCC(C)C	21518978	NJELGOOXBYDMND-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1cc(C)ccc1C	68860517	FXJHHNFOQAHFBS-NVXWUHKLSA-N	248.410	4.943	0	10	BJAE	
CCCN[C@H](c1ccc(CC)cc1)[C@@H](C)C(C)C	70123600	OFAYCXYIMFKADY-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC(C)(C)CC(C)(C)C)C1	71114773	LMHBIKPYXNFLJJ-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1CCC[C@H](CC)C1	83786600	LSVPAHXWOKGCIV-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CC(C(=O)C2CCCCCC2)C[C@H](C)C1	87946361	JKGRDBNAWJCIIJ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C)c1cc2cccc([C@H](C)CC)c2o1	88073268	FODNESULRYMDBI-NEPJUHHUSA-N	245.366	4.617	0	10	BJAE	
CC1([C@H](O)c2csc3ccccc23)CCCC1	94906828	WVCQRXSTCMCYSP-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1NC1CCCCCCCCCCC1	103971698	IVQBDDOGIHZBDK-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@](CC)(CCCC)CNC1CC1	104162025	ICHJFMZPKUIYIT-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)CCC(C)C)cc1	109785545	QQDMBTMYOSXGDX-XJKSGUPXSA-N	234.383	4.670	0	10	BJAE	
CCc1ccc([C@@H](O)C[C@@H](C)CC(C)(C)C)cc1	109788082	IADMJCWDQHNBPA-CJNGLKHVSA-N	248.410	4.745	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCCCc2ccccc21	109944871	VUXZNHMMCQTZRX-DOTOQJQBSA-N	245.410	4.622	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCC(C)(C)C2)c(C)c1	125002140	HCRGYGJHRFEGOL-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
CCCCC[C@H](NC1CC=CC1)c1ccccc1	125040283	SJMFMHZNFGHLIC-KRWDZBQOSA-N	243.394	4.616	0	10	BJAE	
CC(C)(C)CCCOc1ccccc1Cl	142941996	MTSILOFXEWAGGN-UHFFFAOYSA-N	226.747	4.545	0	10	BJAE	
CCC(CC)CC(C)(C)[C@H]1CC[C@H](C)CC1=O	149423422	AEIWDCLGPQCUIQ-JSGCOSHPSA-N	238.415	4.844	0	10	BJAE	
C[C@H](N[C@@H]1CCCC1(C)C)C1CCCCCC1	149827071	UCKZUCQLVQCBTJ-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCC	156123638	VMFFNMSWSRPOCQ-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(CC)c([C@H](C[C@@H](C)CC)NC)c1	167333765	MMNFZQKMOHGVLK-GUYCJALGSA-N	247.426	4.508	0	10	BJAE	
CCC1CCC([C@H](N)c2c(C)cccc2C)CC1	232925220	PFNNVJQWBGJIFL-DQPZFDDXSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H](C)[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1	233343485	YGIVFPIHBFPECU-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)c1c(C)cccc1C	234047973	YYYNBXWHXCGTSP-YQQAZPJKSA-N	245.410	4.520	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@@H]3CCC[C@@H]3C)c2c1	235555325	XWAMBQSXTFVWPW-WCQYABFASA-N	227.351	4.688	0	10	BJAE	
CC1=C2CC[C@H](C)[C@H]2C[C@@H](C(C)C)CC1	257373633	AAPYGFMEZRXPJI-KCQAQPDRSA-N	206.373	4.805	0	10	BJAE	
CCC(CC)c1ccc([C@H]2CCCCN2)cc1F	258487862	YMQPUNUTAIMNJZ-MRXNPFEDSA-N	249.373	4.544	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@@H](C)CC(C)C	302314071	ITELNQATHTUGFV-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
C[C@H](CCC(C)(C)C)Nc1ccc2[nH]ccc2c1	302502124	LJVZBOBUPXBNOF-GFCCVEGCSA-N	244.382	4.795	0	10	BJAE	
CCCc1ccc([C@@H](CCC(C)(C)C)NC)cc1	305965325	XRAMGRDNJBCJTH-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCCCCC[C@@]1(C)[C@@H](CNCCC)C1(C)C	305967162	JIOYNQRQGTUHSY-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1sccc1C	308115467	UQXXXBDXKONUAN-GFCCVEGCSA-N	238.396	4.702	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1(C)CCCC1)NCC	310501667	IDIBBFONSWPBEK-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)(C)C)CC1(C)CCC1	310507200	KUQOCDNPNXNHEC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@@H](NCC)c2ccc(C)c(C)c2)CC1	310620675	AHRSKMPGYVXDMX-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc(C)c([C@H](O)C[C@@H]2CCC[C@H](C)C2)c1	311163553	ZDOVEBPXVJMNBS-XGWLTEMNSA-N	246.394	4.553	0	10	BJAE	
CC[C@H](Nc1ccc2sccc2c1)C1CCC1	322767190	FBSJKLYOWMMYLB-AWEZNQCLSA-N	245.391	4.892	0	10	BJAE	
CCN[C@H]([C@@H](C)CC(C)C)C(C)(C)C(C)(C)C	380079467	DQVDGUYWXPYNPT-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](N[C@H]1CCCCC12CCCC2)C1CC1	380922106	DDRUEWZMKJKVCC-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CC1CCC(CC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1	380951011	PTECFLAICGVFHP-SVXVCFNTSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)NC[C@@H]1C[C@@]12CCCCC21CCCC1	381036375	UPGAVVKIBKXIDV-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CC[C@@H]3CCC[C@H]3N2)CC1	381503713	IQXOHDYCTNVNNZ-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1C(=O)C(C)(C)C(C)(C)C	395002058	QHUJUMNVGPCMRQ-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@H]1Nc1ccsc1Cl	395636785	HYWPNHQQGGVRPJ-WCBMZHEXSA-N	243.803	4.638	0	10	BJAE	
COc1ccc2scc(C(F)F)c2c1Cl	396179431	CDYGAUGFGFHBRT-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCOc1cc(Cl)cc2c(CC)csc12	396197967	ZXERYCTWKULTCN-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCC[C@H](N[C@@H](C)CCC(C)C)[C@@H]1CC1(C)C	397713046	VHYKBVUODPIIDM-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
C[C@H](CC1(CN)CCCCCCC1)C1CCC1	398681343	XXMQJWLAVBFUBK-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H]1CCCC1(C)C	401012929	CCPBEBQDSVRKHF-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](CC2(C)CC2)NC)cc1	401533732	XBLNFVBHBCSYCT-XJKSGUPXSA-N	245.410	4.651	0	10	BJAE	
CCCNC/C(=C\[C@@H]1CCCC[C@@H]1CC)CC	401748734	MQNUTDBDVJCIPL-GBDTVTBQSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](CCCC1CC1)c1ccc(C)cc1C	405892985	YKIQWEMYOLSYLK-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCC(C)(C)C2CC2)C1	405949339	FAFSACHLIJYECT-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CNc2ccc(F)c(CC)c2)CCC1	687275460	UFEAUEWNROZUIJ-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
CCCCC[C@H]1CC=C(OC2CCC2)CC1	687764685	TWXNULCQDSFJFH-ZDUSSCGKSA-N	222.372	4.820	0	10	BJAE	
Cc1cc(F)cc(N[C@@H](C)CC2CCCCC2)c1	689714276	DJHUHGYDZJCPMF-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)[C@@H](C)C1CCC1	692692603	JGHBQHPOCWNZEY-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CC1(CCN[C@H]2CCCC[C@@H]2C2CC2)CCCC1	696110941	OSIKCMDLUQPEMW-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)C1(CC)CCCC1	696562163	RBLATOKJHIXDSP-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@]1(CCC(C)(C)CC)CCCCCN1	696803936	VDZCBUMXRRVIPI-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CC(C)=CCC[C@H](O)c1ccc(C(C)(C)C)cc1	697603181	AZPVXBKMVFAFIP-INIZCTEOSA-N	246.394	4.764	0	10	BJAE	
CCCNC[C@H]1CCCC[C@H]1C(C)(CC)CC	701146139	RBUMFTBCQJNEHC-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C(C)(CC)CC)[C@@]1(C)CC1(C)C	701147545	JIHXVBUEWPXBOC-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCCc1c(C)cccc1C	704576056	OVBVSAKQHWSINU-UHFFFAOYSA-N	202.341	4.592	0	10	BJAE	
CC(C)CCCCCCN[C@@H]1CCCC12CC2	706543644	IPPQMPRQTYFEBV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CC(=O)c1ccc(C)c(C)c1)C(C)(C)C	711092418	FKUKTYPUXDFXTL-HNNXBMFYSA-N	246.394	4.949	0	10	BJAE	
CC[C@@H](CC(=O)C[C@H](C)CC(F)F)C(C)(C)C	711118126	IDEFYUMNNCCNMG-QWRGUYRKSA-N	248.357	4.699	0	10	BJAE	
CNCC1(C[C@H](C)C(C)(C)C)CCCCCC1	711142190	ICDHHQDBMKJZNW-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](C[C@@H](CC)C(C)(C)C)C1=CCCC1	711212710	KYZMLMOZHSEAMQ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)CN[C@@H](C)C1CCCCCC1	713156794	FIORMURTMPOJAN-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CC[C@@H](NC)C1CCC(CCC)CC1	713741103	SQDNYXRCFYSRTQ-LQJDWPSLSA-N	249.442	4.703	0	10	BJAE	
C/C=C/C[C@@H](CC)c1ccc(C)cc1F	714520992	GNSFFKCQCPHJEP-FVOPLDGLSA-N	206.304	4.594	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC[C@H](C)C(C)C	720941214	VHOILUFQWQJMAJ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
Cc1csc(C)c1C(=O)C[C@H](C)C(C)(C)C	724947172	WVMSRMWILUYPBL-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
Cc1ccc(-c2ccc3ccsc3c2)c(O)c1	1241043121	KXBJGWPRFBQFFH-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCCCCC[C@H](C)NCC1CCC=CCC1	1653140618	GKLQSTHPBNGLQF-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1ccc(Cl)cc1F	1901710804	TUJRUJVXEZSOBX-VHSXEESVSA-N	243.753	4.572	0	10	BJAE	
CCCNC[C@H](CCC)C[C@H](CC)CCC	1905368010	DCFSPCLQUZHOCQ-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)c1sccc1C	1905434631	LIIGYDGZIRZRNO-STQMWFEESA-N	239.428	4.533	0	10	BJAE	
CCCNCCC=C(C)C[C@@H]1CC2CCC1CC2	1912117891	LCPGQZOOBOZGIR-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1[C@@H]1C=CCCC1	1913391390	VKVNCJUUBOGAHM-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)C[C@H]1CCCCCCCC[C@H]1N	1913431115	RZKWHIWNCOOYGO-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(O)CCC2(CCCCC2)C1	1915851852	KBXJOEBUEWPOCP-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CCCc1ccccc1	1919969399	IXMBUBQCFNHESK-WBVHZDCISA-N	248.410	4.587	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CCC(C)(C)CC	1920197477	OGBKDULPGQYKOK-DZGCQCFKSA-N	227.436	4.747	0	10	BJAE	
CNC[C@@]1(CC2(C)CCCC2)CCCC12CCC2	1921585282	DYCRPHFDTRJIAT-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(CN)CCCC12CCC2	1921632554	ICWCJHPHOBZXNX-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC1CCC(C(=O)C[C@@H]2C=CCCCC2)CC1	1925767679	BULDKUQGLCZGFT-SHARSMKWSA-N	234.383	4.518	0	10	BJAE	
CC(C)CC[C@@H](C)Oc1ccc(Cl)cc1	1928731984	ZCXKTQGLTCYYQP-LLVKDONJSA-N	226.747	4.544	0	10	BJAE	
CCCCC(=O)CC[C@H](C)CC(C)(C)C	1933331256	JFQOFUUPFXXOOA-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
CC[C@@H](C[C@H](N)c1cc(C)cs1)C(C)(C)C	1939454349	WKKMAMAFVRQEQE-RYUDHWBXSA-N	239.428	4.519	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)C(C)(C)CC	1940852097	BRQZXJMEFKPXHW-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1(CCC[C@@H](O)[C@@H]2CCCCC2(C)C)CC1	1940873937	CXRWEHPYPZNGEI-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC1(C(=O)C2CCC(C(C)(C)C)CC2)CCC1	1941144534	OEKBNIOTPNMVTC-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@](O)(CCCC2CCC2)CC1	1941469287	BLQZLEGUAMPZIY-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CCCCCC1CC1	1941584943	CMRMZJQCWUVURX-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CCCCCC1CC1	1941598248	XBGIUHCVWOULSE-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CC[C@@](C)(CCCCCC1CC1)CNC(C)C	1941598744	DZGBQZVTOAJPGR-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)CC1CCC=CCC1	1941817253	XDJMPBSMJSTONR-UKRRQHHQSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(C)C[C@H](CNC(C)(C)C)C1CCC1	1942091173	PXCJGJHCMGGIID-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@@H]1CCC[C@H]1C	1944848354	DMDJALBNRDWDOB-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCCCC1(F)F	1946985449	YWBISCUVYWQPAU-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NC2CC(CC)C2)CC1	1947035954	VRKOIJYLQDTZDY-PWUWZPNHSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](N[C@H]1CCC[C@H]1CCC)C1CCC1	1947462000	MZHPNDXNEKHCEL-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)CCC(C)(C)C1CC1	1947523101	ISMVNYWPIFTYIY-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)c1cccs1	1947591735	GGEVAQWSAHLUIO-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
CCC1(C)CC([C@@H](O)CCC2CCCCC2)C1	1948405103	IMICQGQJJQMNHR-PCKAHOCUSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@@H](C)CC(C)C	1948971616	ZWZGVNITXAJESQ-DZKIICNBSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@H](C)CC(C)C)C1	1948982245	MOYHGAKOKHEBGW-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C)c(C(=O)CC23CCC(CC2)C3)s1	1950913966	LXPARMPQNSFYFT-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C)[C@H](C)CC(C)C)C1	1963181654	FAMKYACUHBAOPZ-KGLIPLIRSA-N	239.447	4.616	0	10	BJAE	
CCC1CCC(COc2cccc(C)c2C)CC1	1968364442	KDRPPMNGSINNJN-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
Cc1cccc(OC[C@@H]2CCC(C)(C)C2)c1C	1968364454	KHGIZXKSPVKPQG-CQSZACIVSA-N	232.367	4.509	0	10	BJAE	
CC(C)c1cccc(NC2CC(C3CCC3)C2)c1	1968408102	MXRQQDINLAQLSZ-UHFFFAOYSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)C1CC2(CCC2)C1	1970819581	HPZUHMOMFARCCA-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCC[C@@H]1C(C)C	1971010320	LWXUGIYHMVWLOB-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CN[C@H](c1ccccc1)C(C)C)C(C)C	1973383070	BPNHJZPZXFRXPC-RDJZCZTQSA-N	247.426	4.656	0	10	BJAE	
CCCCC1CC(NCCC2CC3(CCC3)C2)C1	1973744704	QCTQCJZSKUHRKM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)C[C@H](C)C(C)C)c1	1988289067	CNVMVXAZXCEIPU-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
CCCC[C@H](O)CC[C@H]1CCCC(C)(C)C1	1994033388	HZFHBIRFLXCMSY-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC1CC=CC1	1995203054	IRTBXWVIZOZDEB-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
Cc1sccc1-c1nc(C2CCCC2)cs1	1995497400	ZXAPDXZTFMWWKT-UHFFFAOYSA-N	249.404	4.838	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@@H](C)C1)C(CC)CC	1996269261	KOGCROGLCZHHKN-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@@H]1C=CCCCC1)NC	1996618762	XGJHKMGPVRMHBP-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@]1(N)CCCC2(CCCCC2)C1	1996648081	VPXCAJZVCRWCRH-INIZCTEOSA-N	237.431	4.789	0	10	BJAE	
CCCC[C@](C)(CNC)C[C@H]1CCC[C@H](C)C1	2000513410	UBNMEQRRYLMTPC-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCC1(N)CC2(CCCCCC2)C1	2000670126	LFXJIRJPAMDGDS-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](C)C(C)=C[C@H]1CCCC(C)(C)C1	2002990939	NQKDGLSTKTWETN-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)[C@@H]1CCC[C@H](C)C1	2003016810	QQSPGYGWAMYIBR-IMJJTQAJSA-N	237.431	4.667	0	10	BJAE	
CC1(C[C@H](N)[C@H]2CC[C@H](C)CC2)CCCCC1	2003102629	DFUBIABTOOOKCK-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@H]1CCCC2(CC2)C1	2003221437	OYRKQQPPAYXGHM-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H](CCC)C(C)C	2004231453	PYDDNULWSBDXPG-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCC(CCC)CNCC1(CC)CCCC1	2004711025	FRAMOSGRQSJDGF-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
Cc1sccc1C(=O)[C@@H]1CCCCC12CCC2	2005562292	ACWBAOOTIPSALK-ZDUSSCGKSA-N	248.391	4.600	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)[C@H]1CCC[C@@H]1C	2006779471	YJRVGRLXXUETLY-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@H](C)CCC)[C@@H]1C	2006978442	JCGBAXFMBGDEJG-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(CC1CC(C(C)C)C1)C(C)(C)C	2007746754	MKNFYFOCKIEXFL-ZBCRRDGASA-N	239.447	4.602	0	10	BJAE	
CCC1CC(C[C@@H](O)CC2CCCCCC2)C1	2007752238	QUPKPFCUWFFBER-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1CC(=C2CC2)C1	2011093810	ONHPBYRWDIQLDR-LBPRGKRZSA-N	234.383	4.662	0	10	BJAE	
CCCC(N)(CCC)CC12CCC(CC1)CC2	2012835849	GHCWMTURVNBZFZ-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)C[C@@H](C)C(C)(C)C	2013237519	RSNLVNGNCUDMEC-UKRRQHHQSA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](CC2(C)CCCCC2)N1	2013531476	TWEDLLORRRCTSO-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)[C@H](CC(C(C)C)C(C)C)NC	2015277374	GQWLZOPGOLOUCG-HOCLYGCPSA-N	241.463	4.719	0	10	BJAE	
CCCNCC(C)(C)CCC(C(C)C)C(C)C	2015344114	IKMOUDQKPDXWBG-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
COCc1ccccc1CCCC(C)=C(C)C	2016781340	GYSIOMWPASHMOM-UHFFFAOYSA-N	232.367	4.512	0	10	BJAE	
CC(C)C1(CC(=O)CC[C@@H]2CC2(C)C)CCC1	2017123091	IWJFFWHSGJDBFZ-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1(C(C)(C)C)CCC1	2017124826	IPHXQSUEAZTZRX-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1CCC(N)(CC2(C(C)(C)C)CCC2)CC1	2017148686	QXXOAVAGZZZHKH-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC1([C@H](N)CC2(C(C)C)CCC2)CCCC1	2017148768	SGGNWVVPDGJASE-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CN)(CC(C)=C(C)C)CC1	2017467385	WHUORPMGZRDSEL-UHFFFAOYSA-N	237.431	4.668	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@@H](C)CCC(C)C)CC1	2017661777	DZUBKHPAXOFDGL-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)C[C@H]1CC[C@H](C)CC1	2017725430	RTBNEHCSFQSYEW-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CC[C@H](CC)NCC)CC1	2017729355	VZVPEXSWINXFIZ-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC[C@@H](C)N2)CC1	2017735501	FYSATZDPVDZOMN-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)N(C)CC(C)(C)C(C)(F)F	2018180812	AVCCXOZBBLKMKX-LBPRGKRZSA-N	249.389	4.568	0	10	BJAE	
CCCN(C1CCCCC1)[C@@H]1CCCC[C@H]1C	2020533578	BTSLCLRSUAEUJL-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H]1C[C@H]1CC1(O)CCCCCCCC1	2022452463	XEJNJRKMUPFVFF-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
C=CC=CCCc1ccc2c(c1)CCC2(C)C	2023640541	HMKQDPVZQVEHQV-UHFFFAOYSA-N	226.363	4.585	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CC(C)(C)CCC2=O)C1	2024122789	GJNMMNCYNHRBLH-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@H](C(C)C)C1	2025572383	WANJVHXPEGKNQL-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)c1cc(C)cc(C)c1	2027819778	DYVSBYHGRHGHNX-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	2027844360	ZBDHYMWSTOEFTN-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)c1cc(C)ccc1C	2029966118	GECJZUQAIBDFNF-XJKSGUPXSA-N	247.426	4.780	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1ccc(C2CCC2)cc1	2032306183	PBVQAXWNFIGTDQ-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CC1(CCN[C@@H](C2CCC2)C2CC2)CCCCC1	2033212304	JIUIQBJWVBLLLA-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1C1(N)CCCCCCC1	2035543066	ZDYYHWNCXUXAQT-UHFFFAOYSA-N	245.410	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CCCC1(C)C	2035594399	UCBLZYIYNYZRCZ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)c1cccc(C2CC2)c1	2036353628	FBMXHDCALCCPEW-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CCC1(CC2(N)CC3(CCC(C)CC3)C2)CCC1	2038893776	SVRLBFGNKMWKOL-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@H]2C=CCCCC2)CC1	2039378186	XEEBUJBSOIKHEG-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
C1=C[C@@H](N[C@H]2CCCC3(CCCCC3)C2)CCC1	2040767249	OZLVRVMFBYENAH-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CCN[C@H]([C@@H]1CC=CCC1)[C@H]1CCCC[C@H]1CC	2042024108	IQULBAIEJQVTID-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@H](NC[C@]2(C)CC=CCC2)CC(C)(C)C1	2042067398	KDYYBFBJNIOTLO-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@H]1N[C@@H]1CCCC2(CCCCC2)C1	2043670859	WLLQKIHYVZABQD-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@@H]1CCC12CCC2	2047938895	JMSPPTAITLWIHN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@H]1CC[C@H](C)CC1	2049639076	YLOQMKMERSHTQB-BRWVUGGUSA-N	249.442	4.703	0	10	BJAE	
C1=CC[C@@H](CCNC2CCCCCCCC2)CC1	2049677311	BEFLGHCEPCFKPF-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@H]1C[C@H]2C=C[C@H]1CC2	2049704776	PBVKVMFTJIIOKR-YHUYYLMFSA-N	246.394	4.518	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CC23CCCCC3)CCCC1	2049792179	GHVGGDFKGMVCBV-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CCN1CCCC12CCCCCC2	2050416989	MDLOSGURHAQRLZ-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
Cc1cccc([C@H](O)CCC2CCC(C)CC2)c1	2050429678	ZGECKPWPICTBDJ-PUJMQQBBSA-N	246.394	4.635	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1cccc(F)c1C	2051408955	ZRZPYBSKKPMZRH-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1Nc1ccc(CCF)cc1	2055666733	CYALRPCTKGLUOJ-CZUORRHYSA-N	249.373	4.579	0	10	BJAE	
CCC1CCC(CNc2ccc(CF)cc2)CC1	2055677915	KYBIOYPJXZGRAK-UHFFFAOYSA-N	249.373	4.784	0	10	BJAE	
CC1(CCCC(=O)C2(C)CCC3(CC3)CC2)CC1	2056535186	YYGXHMHSKOFUOJ-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCCCc1ccc(C(=O)C[C@@H](C)C2CC2)cc1	2057356763	GODDSACRWKPDEI-CYBMUJFWSA-N	244.378	4.648	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H]1CCCCC12CC2	2059220645	CYLYJKKQXWFLHZ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC=C([C@@]2(O)CCC3(CCCCC3)C2)CC1	2060916969	AGHCDVDAKUZJKK-RHSMWYFYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC=C([C@](C)(N)CC2CCCCC2)CC1	2061122952	SVFORUVXCAUXNF-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)[C@@H](C)C1CCC1	2061144230	PRCHWHXGRSPWMD-ZQIUZPCESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2CC(=C3CC3)C2)C1	2061699122	INYYGIKWEJYPRD-IUODEOHRSA-N	246.394	4.662	0	10	BJAE	
Cc1cc(F)ccc1CCC1CC(=C2CCC2)C1	2061726422	PZPZKRNFDWVTSQ-UHFFFAOYSA-N	244.353	4.957	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@H]1CCCCC12CCC2	2062636616	DMZOAFFHWSIEQQ-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1C[C@H]2CCC[C@@H]2C1	2063519783	IHQPLUQNMGSHPB-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NCC1(C)CCCCCC1)C1CC2(CC2)C1	2064498048	PFBMKPFNIHHIED-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CC12CCC(CC1)CC2	2065334916	JTMPCAYDCJQVFG-XGHPGWEVSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@]2(CNC)CCC23CCC3)CCC1	2069340257	SNUCEGQHJDFQQF-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCCC1(C[C@@H](NC)c2cccc(C)c2)CCC1	2069344749	NTEZMZPXQRTBHZ-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCc1ccccc1[C@H](NCC)C(C)=C(C)C	2072427786	WQPIBDPUFJWNSK-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H](C)CC1)C1CC=CC1	2072796396	OBEBCPQAZUKCGR-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@]2(C)C=CCC2)CC1	2072874024	VXRJUKWXNKHLMW-ZOBUZTSGSA-N	248.410	4.908	0	10	BJAE	
CC[C@H]1CC[C@H](COc2ccc(C)cc2C)CC1	2072876655	CDSNCJYCZSJEDM-WKILWMFISA-N	246.394	4.899	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCc2occc21	2073346070	LEINTTPHUHHWAQ-ZFWWWQNUSA-N	249.398	4.606	0	10	BJAE	
CCc1ccc(N(C)CC2CCC(C)CC2)cc1	2074888102	HVTRNMPHLJZDLK-UHFFFAOYSA-N	245.410	4.512	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCC3(CCCC3)CC2)C1	2074893564	VMTPQNDJOCKTGY-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC[C@H]1C1CCCC1	2074897797	YHDHMKSBQSRKSY-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CC1CCC(N2CC[C@@H](C)c3ccccc32)CC1	2075117546	DZCDLSHECSCXPJ-SHARSMKWSA-N	243.394	4.579	0	10	BJAE	
CC(C)NC[C@@]1([C@H]2C=CCCCC2)CCC1(C)C	2075364961	JJWBPXHRNZQTMO-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
O[C@@]1(CCC2=CCCCC2)CCC[C@@H](C2CC2)C1	2075714512	CIIGJHPCRSUBIT-IAGOWNOFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H]2C[C@@H]2C2CC2)CC1	2079293082	BNQUHMMVAACBTJ-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2C[C@@H]2C2CC2)CC1	2079293084	BNQUHMMVAACBTJ-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@@H]2C2CCC2)CC1	2079318687	CSPDTGXKZOWTAJ-RRCSTGOVSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H](N)[C@H]2C[C@H]2C2CCCC2)CCCCC1	2079437022	YZDUGKDWVIVNAS-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@H]1C[C@H]1C(C)C	2079640381	CVZMMOHTAPEXOS-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC[C@@H]1CCc2ccccc2N1	2079668864	CXMQNBWWTHJTJS-OAGGEKHMSA-N	243.394	4.630	0	10	BJAE	
FC(CNc1cccc2ccccc12)=C1CCC1	2081679102	VSHGZHMEJASOBZ-UHFFFAOYSA-N	241.309	4.659	0	10	BJAE	
COc1ccc(C(C)C)cc1C[C@@H]1C=CCCC1	2083554543	HIKJKEPIWXATJC-CQSZACIVSA-N	244.378	4.717	0	10	BJAE	
CCC(C)(CC)C(=O)c1sc(C)c(C)c1C	2211703053	WIBHFIDAOKCONI-UHFFFAOYSA-N	238.396	4.682	0	10	BJAE	
CCC(C)(C)C[C@H](N)CCCCCCC1CC1	2213576679	SSFAMEDBKVEDEY-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@@H](N)CCCCCCC1CC1	2213578587	NVOMNUVKELOVNA-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(CC=Cc2ccccc2)c1C	2213825274	RNBFIYXQBDPMTM-UHFFFAOYSA-N	222.331	4.559	0	10	BJAE	
CC1(C)C[C@@H]1CCCC[C@H](N)C1CCCCC1	2214766254	VLFNGKXBNXZRRY-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@H](N)CCCCCCCC1CC1	2216879010	XVJLXZMVVMGETG-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CC1	2218326733	XYIFEGJXQSHCGD-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CC[C@H]2CCC[C@H]21	2218724898	HRDMLWUZDUWYTN-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC=Cc1ccccc1)C(C)(C)CC	2219096035	RIWSJGDXKZXWPM-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C[C@H]2CCC23CCC3)C1	2221075758	JXLMALISAZKLBD-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCC1CCCC1)[C@@]1(C)CC=C(C)CC1	2221623854	MDXADYJGDUMASW-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](NC[C@@]1(C)CC=C(C)CC1)C1CCCC1	2221642058	BBZTXUJZURJTSD-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)(CNC2CCC(C)(C)CC2)CC1	2221642927	KQZKBLLCLFCXJZ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(N)(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2222949346	ORMPOZWGBALGTN-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1(CNCCCCCCCC2CC2)CC=CC1	2223115771	FJBYXYVCEKIGAA-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1ccc(C2CCC2)cc1	2223686747	GGBZAJNGNQTKLF-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CN[C@H](CCC(C)(C)C)c1ccc2occc2c1	2224142957	JKCGJUBTKYWIPB-CQSZACIVSA-N	245.366	4.520	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)c1cccc2ccoc12	2224155666	GEXHTWGWMZBYRB-AWEZNQCLSA-N	245.366	4.505	0	10	BJAE	
CC1CC2(C1)CC(CC1CC(=C3CC3)C1)C2	2242992504	WOLTYLDYWHIVJT-UHFFFAOYSA-N	216.368	4.703	0	10	BJAE	
CSCc1ccccc1CC1=CCCCC1	2243245284	LAGYSPPMLQSCJG-UHFFFAOYSA-N	232.392	4.593	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)c1cscc1C	2244784396	UKSVUBKQQIHILL-TZMCWYRMSA-N	239.428	4.533	0	10	BJAE	
Cc1c(F)ccc(N[C@H](C)CCC(C)C)c1F	2246365764	ZSBZIIWCTBAXMF-SNVBAGLBSA-N	241.325	4.510	0	10	BJAE	
CC1CC(C)(C[C@H](N)C[C@@H](C)CC(C)(C)C)C1	2246584291	ISTRHYREDASDGU-ILTLLKDXSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CC[C@H]2CCC[C@@H](C)C2)C1	2246693919	KPBBYIFTMZGPLM-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC[C@H]1CCC[C@@H](C)C1	2246726446	LQRCRXXHPCFDNE-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](C)[C@@H](C)CC)cc1	2248167918	JUDSOSQIDMLRPW-STQMWFEESA-N	232.367	4.504	0	10	BJAE	
Cc1cc([C@H](N)CCC(C)C)cc2ccsc12	2248562517	CTARKUGSISOXRI-CQSZACIVSA-N	247.407	4.646	0	10	BJAE	
CCCNCC(C)(C)CCCCC[C@@H]1C[C@@H]1C	2248839651	CZUIYFFXKSVSBV-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
Cc1cn(CCCCC[C@@H]2C[C@H]2C)c(C)c1C	2248865066	GSFOUMCLEYUAMZ-MLGOLLRUSA-N	233.399	4.630	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cc(C)c(C)c(C)c1	2249498036	CNMBNDKVVHJUGQ-OAHLLOKOSA-N	231.383	4.602	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@@H]1CC12CCCCC2	2250365780	IVHFRLHORSUCSY-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)CCC(C)C	2250467575	SPLPSMNWIGNLGN-MRXNPFEDSA-N	241.463	4.817	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)C1[C@@H](C)[C@@H]1C	2250483412	ZQXHCXFBHUXMHN-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
CN[C@@H](CCC[C@@H](C)CCCC(C)C)C1CC1	2250528773	NWVHRKKKYMCXMK-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
NCC1CCC(CC[C@H]2CCCCC23CC3)CC1	2253887739	ZERFIRHGWBYFTJ-UYSNPLJNSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCC1CC2(CCCC2)C1	2254083931	JNUVOBXJZAGIGJ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(N)CC2(CC(C)(C)C2)C1	2254586881	DSFMMZRMDYZORQ-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1(CC2=CCCCC2)CCC1(C)C	2255093559	GPFNUJRKKPZMRQ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCCC12CC2)C1CCCC1	2255328732	HABBKIBNAQDPGF-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
C[C@H](N[C@H](C)C1(C)CCCCC1)[C@H]1CC12CCC2	2256427210	RZWGLXLVZBWXOX-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	2257257561	PQSZXNUTYXEFJT-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)c1ccc(C(C)C)cc1	2259441277	JUYLURMLLKBJOA-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
C[C@H]1CC=C([C@@H](N)C2CC(CC(C)(C)C)C2)CC1	2261191497	QSFPSFBQQVCOPO-ADNDVJRGSA-N	249.442	4.523	0	10	BJAE	
CCCCC(=O)Cc1c(C)c(C)c(C)c(C)c1C	2263178268	GLTXLHIWLWKONC-UHFFFAOYSA-N	246.394	4.531	0	10	BJAE	
CC(=CC[C@@]1(CN)CC1(C)C)CCCC(C)C	2300861336	QUBAODSHDCFTGA-INIZCTEOSA-N	237.431	4.524	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1ccccc1C(C)C	2300901962	PDOSZLXMMHMEGB-MRXNPFEDSA-N	232.367	4.590	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](O)CC2CCCCCC2)C1	2301136682	ZXVDLBDHTYCJGV-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H](C)[C@@H](C)C(C)C	2301844812	SXJBVOPICMHSHR-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC1=C(C)C[C@@](CO)(CC(C)(C)C(C)C)CC1	2303472565	SMLPAKFVKLMGIK-MRXNPFEDSA-N	238.415	4.558	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)C[C@H](C)CC(C)(C)C	2303611055	QIYYWEUFSAKRDS-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H]2CCC(C)(C)C2)C1=O	2304420726	PLRXBGOEOFNUBB-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](O)c1ccccc1C	2307823866	PYZGGZFIDMRGKC-ZBFHGGJFSA-N	234.383	4.635	0	10	BJAE	
C[C@@H](CC1CCC1)N1CCC[C@@H]1C1CCCCC1	2313604714	BDNAIIYRHNFNSR-WMLDXEAASA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CC1)[C@@]1(C)C=CCCC1	2313607945	HESZFJSXGINRGX-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN[C@H]1CCC[C@H](CC(C)C)C1)C1CC1	2315267170	WXVCARYUMANJOG-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)[C@@H](C)C(C)C)c(C)c1	2317629323	HDJYXOFDIPXXMJ-JYJNAYRXSA-N	247.426	4.635	0	10	BJAE	
CCCc1ccccc1[C@H](N)[C@H](C)[C@@H](C)C(C)C	2317823075	GTOCQDUVHXFIFH-JJRVBVJISA-N	247.426	4.567	0	10	BJAE	
C[C@@H](C1CCCC1)N(C)CCCC1=CCCCC1	2318596707	CJYXQKDZUFZJQH-HNNXBMFYSA-N	249.442	4.778	0	10	BJAE	
CCNC[C@@]1(C[C@H]2CCC(C)(C)C2)C=CCCC1	2319288975	NVSTUFWBDGXAPA-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C(=O)CC[C@@H]1CC[C@H]1C1CC1)C1CCC1	2319699483	JADSKEXJHACUAQ-ZFWWWQNUSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@]2(C)C=CCCC2)CC1	2320414433	RUFBSPICJABIKD-DOTOQJQBSA-N	246.394	4.829	0	10	BJAE	
CC(C)CC12CC([C@@]3(N)CCCCC[C@H]3C)(C1)C2	2321594413	DNDMNGJVQCMNSY-RDHHWEPZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)CCC3(CCC3)C2)C1	2321648457	KEZWPMIQPPYYAA-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
Cc1cc([C@@H](C)Nc2ccc(C)c(C)c2)c(C)o1	20438163	MGQNBWSSLMJNAR-CYBMUJFWSA-N	243.350	4.686	0	10	BJAE	
Cc1cc([C@@H](C)Nc2ccccc2Cl)c(C)o1	20438236	LILKSGZCSRLUKZ-SNVBAGLBSA-N	249.741	4.723	0	10	BJAE	
Cc1ccccc1[C@@H](C)Nc1cccc(C)c1C	21034796	SLRCSEZXMNEZND-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
Cc1cc(Cl)ccc1NC1CCC(C)CC1	21502191	DOLRWHOKCXXSKE-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cccc(F)c2)c(C)c1	21510723	CWVIURWQJIVWGI-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)c1cc(C)ccc1C	35489547	JBHQLAYWNAHODA-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N[C@@H](CC(C)C)c1ccccc1	37042760	GZRSFOUFRNJXRX-INMHGKMJSA-N	247.426	4.798	0	10	BJAE	
CC[C@H](C)c1ccccc1Oc1cccc(F)n1	40711438	PRLQCJBUYFVVAU-NSHDSACASA-N	245.297	4.527	0	10	BJAE	
Cc1cc(-c2ccc3ccccc3c2)ccc1O	65340432	YFQUBVZWLRTWCP-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
CCCCc1ccc([C@H](NC)[C@H](C)C(C)C)cc1	70123077	SQLGNEMIQHXFHL-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@H](C)C(C)C	70123844	VBYWEIZDEYMOBG-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)c1ccc(C(C)C)cc1	71160356	WEFNOMPHNPGROB-WBVHZDCISA-N	245.410	4.564	0	10	BJAE	
CC[C@H](N[C@H](C)c1ccc(C(C)C)cc1)C1CC1	86117632	FPHXMWYIEOTZIW-DYVFJYSZSA-N	245.410	4.649	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@H](C)CC2)ccc1F	86889960	LUOWQICCSVOPQP-AAEUAGOBSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H](NC1[C@@H](C)CCC[C@@H]1C)c1ccccc1	109947248	MQNQDQJQTMGBLP-OFQRWUPVSA-N	245.410	4.552	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCCC(C)(C)C)CC1	123935814	XDYWXHWQSDZZIA-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC)C1CC(C)(C)CC(C)(C)C1	125068166	BOVYETQAMJSQCK-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H]1CCCC[C@H]1CNC(C)C	130151173	DHWTXLLQUZCXPD-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](NC)c1cccc(C)c1C	158365807	JOXAISGTAORMQV-INIZCTEOSA-N	233.399	4.534	0	10	BJAE	
CN[C@H](CCC(C)C)C1(CC(C)C)CCCC1	158634905	QEFXMIJIDJVMBS-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C[C@@H](C)CC(C)(C)C	163425233	IYCQDGSJBNRLKC-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CC1CCCCC1	166777944	YBQRDHODJFXZNV-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H](C)CCC	167828988	WBBXGVDVVLSTDL-CHWSQXEVSA-N	212.377	4.598	0	10	BJAE	
CCC[C@](C)(CNC1CC1)CC1CCCCC1	203437336	GROMBNGPLRJVBA-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](C)NCc1c(C)cccc1C	215380573	KZROSKKGRHMLKX-INIZCTEOSA-N	247.426	4.752	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C[C@@H](C)CCC	217627580	OPIREXOCSKDLTD-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](NC)c1cc(C)c(Cl)s1	226666040	RAFPUWHMJRJXQW-JTQLQIEISA-N	245.819	4.551	0	10	BJAE	
Cc1cc(C)cc([C@H](N)[C@H]2CCCCC2(C)C)c1	226807519	SGEPXYSZHQGMJW-CVEARBPZSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCCC2=CCCC2)CC1	228588416	MCNAXOKZLFBMAM-RDJZCZTQSA-N	249.442	4.825	0	10	BJAE	
CCC(CC)C[C@@H](C[C@H](C)CC(C)(C)C)NC	229164947	WPTNHDGEFYYNOI-DZGCQCFKSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1CCC[C@@H](C)C1	229198701	VDIGNJFPTSQQKT-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1c(C)cccc1C	234043656	TWSATKKWTHJCNA-GJZGRUSLSA-N	244.378	4.703	0	10	BJAE	
Cc1cc(F)cc(C)c1C(=O)CC1CCCCC1	235739359	BMXSRGHYHFGVOF-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@@H]1CC[C@H](C)C1	300141677	RZEKKBXNYFCOFX-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@](O)(CCC2CCCCC2)CC1	302237304	BCFIUJQFQTYACF-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@@H](C)CC(C)C	302507235	BGVZCBDUZONPSB-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CN)(C2CCCCC2)CC1	302554304	WHFFHDQSZGJEAN-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1cccc(C2CCC2)c1	305927256	JAWKUJMUXLXHKQ-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CCC[C@@H](CC(C)C)c1nc2c(C)cccc2[nH]1	308054124	KLBYDFCKXHFLLR-ZDUSSCGKSA-N	244.382	4.801	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@H](C)CC(C)C	308059325	VXIOWGUILCJRJE-KGLIPLIRSA-N	226.404	4.700	0	10	BJAE	
CC(C)CCCN[C@H]1CCCCC12CCCC2	310289617	RHMNMNSSKZOVHE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCNC/C(=C/[C@H](C)C1CCCCC1)CC	310541519	CJICJOBGLBKSGM-YEQVNJDRSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C1(CC(C)C)CCCC1	319990730	KSHKSAVBXIBGMX-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)[C@@H](C)C1CC1	379606324	JSZAYOLPTYAVNM-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H](C)C1CCCCC1	379865640	SJOIQZDYWXVZJV-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
Fc1cccc(N[C@@H]2CCCCC23CCCC3)c1	386480062	IDUHJCBUVVNVEU-OAHLLOKOSA-N	247.357	4.741	0	10	BJAE	
CC1(CNCC2(C)CCCC2)CCCCCC1	394607784	QMZWATPNPFILMT-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC1(CN[C@@H]2CCCC2(C)C)CCCCCC1	394673483	RYBKBBYPDQEDJO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCc1ccccc1[C@H](O)CCC1=CCCCC1	395119994	GELGHVGWBAQVCX-QGZVFWFLSA-N	244.378	4.563	0	10	BJAE	
CC[C@@](O)(c1ccc(C2CCC2)cc1)C(C)(C)C	395457679	HPTUNUFEOGVXOL-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCc1cc(F)c(C(F)F)c2ccsc12	396200521	QGXPLDQRROYWKF-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1c(C)ccc2sc(C(F)(F)F)cc12	396295041	CHPLCCOTKIUBRW-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1ccc(S)c2c(C(F)(F)F)csc12	396306819	QHPUVQWJBITYMG-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCN[C@@H](CCC1CCC1)c1ccc(C)c(C)c1	398829055	XFGCBIWUNNXIJV-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@@H]1C[C@H]1CC(C)C	401017305	BXPBTVCUNGDEKI-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc2c(c1)CCCC2	404628938	FPICSYMWNCBPKO-MRXNPFEDSA-N	245.410	4.946	0	10	BJAE	
C[C@H]1CCc2cc(CCCC3CCC3)ccc2N1	688373220	CMJFATNAVIYMBM-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
C[C@H](Nc1cccc(C2CCC2)c1)[C@H]1CC1(C)C	690165715	ZRGIUEDSPXEZIT-BLLLJJGKSA-N	243.394	4.801	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CCC1CCCC1	691189677	UWKRIURLXPESDT-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCC/C=C1\[C@@H]2CCCN[C@@H]2C1(C)C	693677853	WFSFZANQHIFJNK-YJFIKNRFSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)[C@H](C)NCCCC1CCCCC1	695150900	XXODDMUDCAUJDL-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC[C@@H]2C2CC2)ccc1F	696108162	YPBFZQFBELQIMT-GDBMZVCRSA-N	247.357	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCCC(C)(C)CC1	696805897	MCWDWKKZUQEFMG-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)C1(C(C)C)CC1	700005807	LZQONIPAZKEDDI-INIZCTEOSA-N	245.410	4.507	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)[C@]2(C)CC2(C)C)cc1	702170728	ILIAEFQPUUZKEQ-MJEQTWJJSA-N	245.410	4.636	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)CCC1CCCCC1	704615218	UUGDHWZLHWLULV-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CC[C@H]2CCC[C@H]21	707776174	VWXURWFPRHQGOD-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC([C@@H](N)[C@@H](C)CC(C)(C)C)CC1	708316151	YIXYLNZMTPRYSM-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1CCC2(CC1)CC2	709958919	IANLIVMFSHCCTO-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C23CCC(CC2)CC3)C1	710323071	DENPJFVJWHNJIO-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C[C@@H](CC)C(C)(C)C	711181642	VTPIKYRDYPQOJI-MJBXVCDLSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC(C)(C)CC)NC	711250624	AJNBWILHHCZJSX-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C1CCCC1)C1CCC1	711830818	GDMGCLUCPDORAC-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(O)CCC(C)(C)C[C@@H]1C	713147478	WCIDFRROHRFHSG-BBRMVZONSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)c1c(C)cccc1C	713160131	NAXNKHRQSYSAPH-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CN[C@@H](CC1CCCCC1)CC(C)(C)C(C)C	713162572	ZXJCZXHFXAMBEG-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@H](CC(C)(C)C(C)C)C1	713186255	BBPRDJYNSMIIDN-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC(=O)c1cccc(C)c1Cl	713327021	XYHAQVDKHOWJMF-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
C(CCC1CC1)CN[C@@H]1CC[C@H]2CCCC[C@H]2C1	716399011	AQMUIMGQURXEBR-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
Nc1ccc(-c2ccc(C3CC3)s2)cc1Cl	716589898	NHPBSJYOTCRVOZ-UHFFFAOYSA-N	249.766	4.528	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCC(C)(C)C[C@@H]1NC	717468316	IKBWUKLLHVSWKY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@]1(CNC2CC2)CCC=CCCC1	718995648	DUNYLMQIOOJLIB-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C(C)(CC)CC	721692203	LENPTQJYWVKWPF-KBPBESRZSA-N	227.436	4.747	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)C(C)(CC)CC	721772858	NQNXWNIMOPEWHU-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccc(S[C@@H](C)C(F)(F)F)cc1	1472974266	FMFFUZWBPACNSL-VIFPVBQESA-N	248.313	4.853	0	10	BJAE	
c1ccc(CCCCSCC2CCCC2)cc1	1613718116	FNMGNLKSTLCHHE-UHFFFAOYSA-N	248.435	4.933	0	10	BJAE	
CCCCCC[C@@H](C)NCC=Cc1ccccc1	1879765429	QBTDRKKELANOLK-MRXNPFEDSA-N	245.410	4.648	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC=C(C)CC)NCC	1900842542	KMNWABPCAUQIHR-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCC(C)=CCCc1ccc(C)c(F)c1F	1900904364	VWHJQSQJEYIRLH-UHFFFAOYSA-N	224.294	4.562	0	10	BJAE	
CCc1cscc1NCC1(C(C)C)CCC1	1902376590	KFOBIOSRMCCLPM-UHFFFAOYSA-N	237.412	4.549	0	10	BJAE	
CCCC[C@](C)(CNC)C[C@H](CC)CCC	1905308614	STXOZZKPQGOGIU-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC[C@@H]2CC[C@@H]21	1907047195	MYZRFEYLQWEHIS-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C=C(CNC1CC1)C(C)C	1911828529	IVFXUEUFNGTQHY-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1CC2(CCCC2)C1	1912606754	KPZGJWYGPQOSLB-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(N)CCC2(CCCC2)C1	1916433046	XXEXFMJWINDTLZ-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@](N)(CC)c1ccc(C)cc1	1919448059	YDWONATUKZTADA-MRXNPFEDSA-N	233.399	4.529	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)[C@H](C)CCC(C)C	1920200263	YUXPTOWGSWAKOF-ZNMIVQPWSA-N	227.436	4.602	0	10	BJAE	
CCCC1CC(CN)(CCC2CCCCC2)C1	1921304917	JGAMSIJSGKQPDC-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@H]1CCCC12CCC2	1921586930	RLQRAKVABUUCTG-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1CCCC12CCC2	1921586931	RLQRAKVABUUCTG-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@H](CCCCC(C)C)NCCC	1939114456	YRCDCSWJPAIDIV-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)CC1CCCCC1	1940877219	PBIOMJRCSAFHQH-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NCC)C1=CCCCC1	1941269427	QONKETWUQOEHMQ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC)CCCC1CCC=CCC1	1941792526	GUAIZRUOPKHWON-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@H](C)NCC1(C2CCCC2)CC1	1942575659	QPNOVMHCXBDHGA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H]1CCC(C)(C)C1	1945601829	XTCNPXBHGMOYBC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
O[C@@H](c1cccc2sccc12)C1CCCCC1	1945962138	SDIGEYXZOBSLBV-OAHLLOKOSA-N	246.375	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CC1(CC)CCC1	1948981291	PDRBJTFBADSYSO-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CCC(C)(C)CC)C1	1949016138	FLQSEZCQYHQIGE-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CCC[C@H]1CC1(C)C	1949053114	FGNWOFBSVGDIDI-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@@H]1CCC(C)(C)C1	1949421542	NJQCGGPFFIMWFP-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(CO)CCC[C@@H](C)CC1	1950911500	OZGYRJCVGDPBMY-GDBMZVCRSA-N	240.431	4.638	0	10	BJAE	
Cc1ccc(C)c(NC2CC3(C2)CC(C)(C)C3)c1	1968230031	MNXRHJVACIDYQU-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)C2(C)CCC2)c1	1968408839	ZHVCGBXSVPKYGF-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1CC2(CCC2)C1)C1CCCC1	1970935239	VMYOOWVZRCFTCU-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1CCCC(C)(C)C1	1978392787	ABBXHTFEZJGHGF-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](CCC(=O)c1cccs1)CC(C)(C)C	1980691660	FHIMPLQIMDWZJD-NSHDSACASA-N	238.396	4.783	0	10	BJAE	
CCCCCC1(O)CCC(CC)(CC)CC1	1981065923	OWOZHBPQMKKGRW-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CCC(C)(C)CC[C@H]1CC[C@@H](C)CCC1=O	1984461834	HXXQZFUFODCKMV-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC(C)C1(COc2cccc(Cl)c2)CCC1	1989449863	YIZYZEKLQSNGKG-UHFFFAOYSA-N	238.758	4.545	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1ccsc1C	1995253292	FTPXCVMUQBEDPZ-BXUZGUMPSA-N	240.412	4.696	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCC1(C)CC1	1995265430	ZAGYKRMJTASQCL-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C)Cc1coc2c(Cl)cc(F)cc12	1995462950	DCVSBXOKEPRXOX-MRVPVSSYSA-N	240.705	4.814	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)C1(C)CCCCC1	1995980577	MXTKXHPQPVRFFZ-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CCCC(C)(C)[C@H](NC)[C@@H]1CCC[C@H](CC)C1	1996612392	YCTDYVMZAPRHRP-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1CCC[C@H](CC)CC1	1997117470	RAIXTBGKTKUIGN-LSDHHAIUSA-N	234.383	4.684	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@]1(C)CC=CCC1	1997607999	XXPNQSBAVJORSO-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
C[C@H](CNC(C)(C)C)C[C@@H]1CCCC(C)(C)C1	2000161530	GMCPNTXNPBQPOG-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000164211	WVEPHRYHGPHBOW-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccc(F)cc1C	2000211779	OQUTUTZFCUPRHT-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H]1CC12CCCCC2	2001259495	OFKWJAGNGGWDMN-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@H]1CC12CCCCC2	2001264011	VYSMIDUNDHLTGG-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H](C(F)F)C(C)(C)C	2002434179	DSZXEADBBHTLJC-LLVKDONJSA-N	248.357	4.699	0	10	BJAE	
CCC1CCC([C@@](C)(O)CC(C)(C)CC)CC1	2002922626	BJNCBCMXCCGZKX-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CCC(C)(CC)[C@@](C)(O)[C@H]1CCCC(C)(C)C1	2003023812	YUOZAUYPUAGIEO-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@@H]1CCC2(CC2)C1	2003220234	GKPJVRYAPMFCMJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CC=C(C)C)C(C)(C)C1CCCCC1	2004234237	OSRIHJFOMAGPFE-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@]1(C[C@@H](C)CC)CCCCC1(C)C	2005584911	APGOQKAGRIETJQ-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C[C@](O)(C=C1CCCCC1)CC1CCCCC1	2007923841	WLULBQVNDDSJRI-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CC(C)(C)CC	2007948371	UGYCBPGOPIWSNW-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)NCC1(C2CC2)CCCC1	2008470882	OXSDDCPZJOYQLX-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC1(CC)CC(O)([C@@H]2CCCC(C)(C)C2)C1	2009306728	QAGGDPAFPLMWOP-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@@H]1CCC(C)(C)CCC1=O)C1CCC1	2009412213	WFJPOCBEXQWXOP-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCN1CCCC(CC)(CC)CC1	2009574696	UWQNBUPPPSGBNF-QPJJXVBHSA-N	237.431	4.635	0	10	BJAE	
CC=CCCC[C@]1(O)CCCC[C@H]1C(C)(C)C	2009592876	LZAFXJYBEKGZAM-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H]1CCC(C)(C)C1	2009612550	XEKCJQQOYSIWAA-SJKUQHEZSA-N	237.431	4.537	0	10	BJAE	
C=C=CCCN[C@@H](CCC)c1ccc(Cl)cc1	2009767066	DHPDGVQRRNNSBS-HNNXBMFYSA-N	249.785	4.502	0	10	BJAE	
CSc1ccc(CC2CC(=C3CCC3)C2)cc1	2011084470	CTGLNHCBFZNDOY-UHFFFAOYSA-N	244.403	4.842	0	10	BJAE	
CCN[C@H]1C[C@@H](CC(CC)CC)CC(C)(C)C1	2012053244	BYKDLRLTSDDUQX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC1CC(CC(C)(C)C)C1	2014657553	VMNQLJQXFLCCLX-IYXRBSQSSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@](C)(N)[C@H]1CCC1(C)C	2014876076	FVHVFMNETATYFD-HEHGZKQESA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@H](C)[C@H](C)CC(C(C)C)C(C)C	2015407552	BTOHNLJJHCTDJC-CABCVRRESA-N	241.463	4.577	0	10	BJAE	
CCCC1CCC(CC[C@@H](O)CC(C)C)CC1	2017718863	GYCABPSOVITWMW-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(N)CC2CCC2)CC1	2017728956	QYFWOIFTCFDLMQ-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H](C)C2CC2)CC1	2017776452	PEZOGWJUYQATML-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@](O)(CC)CCC[C@H]1CC1(C)C	2018136443	LDUNEPJOKSTXFW-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@@](N)(CC)C1=CCC(C)(C)CC1	2018138223	DJEZNIKRZXQCGV-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCCC1(C[C@](O)(CCC)[C@H]2CC2(C)C)CC1	2018965187	OVAFEHXCCLZYPI-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CCC1=CCCCC1	2019343372	ZJEOGGNAIDNJBD-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCCC1CCC1	2023336742	RPTLRFVQQHBBGC-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC1CC1)NCCC	2026072819	FSIBHVGUCOBWIQ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CC[C@H]2CC2(C)C)cc1	2027815820	QJZSKLXMODOPAH-HOTGVXAUSA-N	245.410	4.636	0	10	BJAE	
CC1(C)C[C@H]1CCCn1ccc2cc(F)ccc21	2027831670	IGIPPSIOXIAOFT-CYBMUJFWSA-N	245.341	4.607	0	10	BJAE	
Cc1cccc([C@H](N)CCCCCC2CC2)c1C	2028631402	OJRXWFWHCNTZOY-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
Nc1ccc2c(c1)CC[C@@H]2CCCCCC1CC1	2028635601	AXVLLEQNRHCJEX-AWEZNQCLSA-N	243.394	4.659	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1ccccc1CC(C)C	2028928123	UIEVBGOIOODVAU-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
CCC(CC)C[C@H](NC)c1ccc(C2CC2)cc1	2029081051	NXLUEIKDKWRYAD-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CN[C@H](CC1(C)CCC1)[C@@]12CCCC[C@@H]1CCC2	2031754104	GZLBHLZWPBKWDV-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@H](N)CC2=CCCCC2)C1	2031829448	UKAVBHKYJIXRJI-ABFRBSLYSA-N	249.442	4.667	0	10	BJAE	
CCc1ccc(CC)c([C@H](O)C(C)(C)C(C)C)c1	2032273952	WDJYEUDLMNLCSB-INIZCTEOSA-N	248.410	4.527	0	10	BJAE	
CCC1CC(N[C@@H](C)c2ccc(C(C)C)cc2)C1	2034905324	UNUDCILUZQKXGJ-CBCUQQMYSA-N	245.410	4.649	0	10	BJAE	
CCc1ccccc1N[C@@H]1CC[C@@H](C)[C@H]1C(C)C	2035415869	YXCGGRCGKKEHOV-KBRIMQKVSA-N	245.410	4.732	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C1=CCCCCCC1	2037073796	PJVPSZIQOWVCQF-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC[C@H](C(=O)[C@H]1CCC(C)(C)C1)c1ccccc1	2037679178	PTIKCOAFAPTTOY-GJZGRUSLSA-N	244.378	4.576	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc([C@@H]3CCCC3(C)C)[nH]c21	2038008042	VDRJWHDMLUYJBD-TUAOUCFPSA-N	246.398	4.704	0	10	BJAE	
C[C@@H](N[C@H]1CC2CCC1CC2)C1(C)CCCCC1	2039861683	HTIQEBSFGAQDMB-LMPOIIKSSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@@H]2CCCC23CCC3)CC1	2041378924	HRAKWWZEZFUJDR-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC1CCC1)[C@H]1CCC2(CCCC2)C1	2042735795	ILTCTWHFBIPLON-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H]1CCCC(C)(C)C1	2043189661	CQSFLGBUSCNYMF-ZBFHGGJFSA-N	249.442	4.824	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)[C@@H]1CC[C@H](C)C1	2045324677	XXGRKGGOANTFCR-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H]2CCCC(F)(F)C2)c1	2045449411	KJQIGFUUGNWUPB-CYBMUJFWSA-N	249.304	4.700	0	10	BJAE	
CC(C)CCN(C1CC1)[C@@H]1CCC2(CCCC2)C1	2046555638	USONYRWFAOCKHI-MRXNPFEDSA-N	249.442	4.610	0	10	BJAE	
O[C@H](CC1=CCCCC1)C[C@@H]1CC12CCCCC2	2047069297	UWURVMUFGAUUAX-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CC[C@]1(C)C[C@H]1N[C@H]1CCCCC12CCCCC2	2047586549	KVSBGNVDSUEXGI-ARFHVFGLSA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@]1(C2CCCCC2)CCC12CCC2	2047929046	NYNHAWGMIUDAAB-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@H]1CCC12CCC2	2047929420	QPUYGIDADSTYIR-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CNC[C@@]1(CCCCCC2CC2)CCC12CCC2	2047935037	GMXDYHWOMMWJMV-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H](c1ccc(C)o1)C1(C)CCCCCC1	2048265513	GEWWZDZVRJPQFW-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC(C)(CC(=O)CC1[C@H]2CCCCC[C@H]12)C1CC1	2048467418	PMERCZGSGMKRBQ-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(C[C@@H]2CCCC3(CC3)C2)CCC=CCCC1	2049847928	FPPHZZUAVZDVLI-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@]1(C)C=CCCC1	2049996235	FPIYKHRVYDMFLS-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=C(C)C)c1c(C)cc(C)cc1C	2051409597	SHMWJSYGYHGYTP-MRXNPFEDSA-N	245.410	4.619	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1(C2CCC2)CC1	2051908208	JUXCKRMDGPPFJV-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C1CCCC(CNC[C@@H]2CCCCC23CC3)CC1	2053434298	QDOUNGIITCQORP-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2059203461	KRRGCYDWQQOCPT-JPSIVZSRSA-N	248.410	4.908	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H]1CCCC12CCC2	2059225787	RADPCYHBVQCZOO-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1NCC[C@@]12CCCCC21CCCCC1	2061513073	PAVTWCPQSFMQNQ-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NCC[C@]12CCC[C@H]1C2)C1CCCC1	2061588021	QMPMOWDBKVNNPT-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(C(=O)CC2CC(=C3CCC3)C2)CCC1	2061702733	VILDHFOXRKJSHK-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
N[C@]1(C2=CCCCCCC2)CCCCCC12CC2	2062008169	BUWSNTZIEKASGX-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC[C@H]1CC[C@](N)(CC2CC3(C2)CC(C)(C)C3)C1	2063204936	VPVRNKZHWUCDOZ-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(N)(CC2C[C@@H]3CCC[C@H]3C2)CC1	2063491473	RPJPQPMLNAXHAB-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC(C(=O)[C@H]3CC[C@H](C)CC3)C2)C1	2063807795	LMTKYGRJTFEJBN-JOCQHMNTSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCCCC23CC3)CCC1	2069281222	UNKYDOQDMYFIRV-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1C[C@H]1CCN[C@H]1CCCCC12CCCCC2	2071473509	YAQKRMBPAIAUGU-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CC1(C(C)C)CCC1	2071918420	CNXIJQXVVAYFHK-ZBFHGGJFSA-N	248.410	4.764	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](NC)C2(C)CC=CC2)CC1	2072790533	HEBDDDAHQQZLMD-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@](N)(CC)Cc1c(C)cccc1C	2073339272	FGODQURTMRNXQH-QGZVFWFLSA-N	247.426	4.534	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@]12CCCC[C@H]1C2	2074026837	XAZWMSCCRYQMTN-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)N(C)CCC=Cc1ccccc1	2075147704	WZGXJRYXEKAEDV-KRWDZBQOSA-N	245.410	4.600	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1c(C)cccc1F	2075980948	MVMGHDPEJMFCLT-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CCC23CCC3)c1	2077262257	PRXRZTGKCGVAGB-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C[C@H]2CC[C@H]1C21CC1	2078345824	ILTQPSRGOZZHBB-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1C[C@@H]1C1CCCC1	2079433857	CHOVIWMXIYJCSE-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2C[C@@H]2C2CCCC2)C1	2079493642	YUYIRZMIQCYTQA-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)CCC2(CCCCC2)C1	2079868194	YPXKKRQFECUTCX-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](C)C1CC(C)(C)C1	2081954098	ASMMMHZWOCGEBT-NSHDSACASA-N	249.373	4.625	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H]2CCCC[C@@H]2C)c1	2082950950	PPZFAAWERAYSIN-SWLSCSKDSA-N	244.378	4.621	0	10	BJAE	
CC[C@H]1C[C@@H]1CCN(C)CCCCCC(C)C	2215338022	FDXNDSJUEFSPJL-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
CC[C@H]1C[C@H]1CCn1ccc2c(Cl)cccc21	2215344269	CQTWJAIMWWPOPY-NWDGAFQWSA-N	247.769	4.731	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)C(C)(C)C(C)(C)C)C1	2215386705	MNYPVMYYVGWIPW-LBPRGKRZSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C/C=C/c1ccccc1	2219088294	PNDFBQGYTBOJSP-FMUPAYBXSA-N	245.410	4.634	0	10	BJAE	
CC1(C)CCC[C@]2(CCN2CCCCC2CC2)C1	2220018446	MVPIUUVSNDNQBK-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H]1C[C@H](C)Nc2ccccc21	2220902606	RRWADEYCQGRDNX-XGUBFFRZSA-N	243.394	4.801	0	10	BJAE	
CCN[C@H](CC1(C)CC2(CCC2)C1)C1CCCC1	2221011811	AVDKUTSITHSZIR-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)C2CC(C(C)(C)C)C2)CC1	2221627474	UUXPEHMIMLMXDO-OCUYMYNFSA-N	249.442	4.523	0	10	BJAE	
CC1(C[C@@]2(CNC3CCC3)CC2(C)C)CCCC1	2223605043	TYBVVZHLMVCUIX-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(-c2ccc3ccccc3c2)c(C=O)c1	2228047911	VYEBZFCRYZDHIR-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CCC(C)(CC)C(=O)CC[C@@H]1CCC[C@H](C)C1	2246667047	XQHWURCGRMPYLM-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
Clc1cccc(NCC2CC3(CCCC3)C2)c1	2246787346	JVVMKYWGGQYTAK-UHFFFAOYSA-N	249.785	4.722	0	10	BJAE	
Cc1ccc(C)c(OCCCC[C@H]2C[C@@H]2C)c1	2247121590	QUBCHQCGNUEHPO-GJZGRUSLSA-N	232.367	4.509	0	10	BJAE	
CCC(CC)CN(CC)CCCC[C@@H]1C[C@@H]1C	2247159248	LYLROAVTSRTYFV-GOEBONIOSA-N	239.447	4.571	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@H]1CCC12CCC2	2247387740	RTNIDYGUSGNTGH-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CCC1(C)CCC(O)(CC2=CCCCC2)CC1	2247465672	OZQFHLKCZWGVEO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2C=CCCC2)c1	2249295017	NOLDLGKRYKCGRN-AWEZNQCLSA-N	229.367	4.505	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CC1CCC(CC)CC1	2250358888	PNJFYBJGCZIKTP-QDIHITRGSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](C)CC1CCCCC1	2250379217	BUVQNYGASFJESA-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](C)CCCCN	2250469985	VEYGKFFIKKNSOE-JKSUJKDBSA-N	241.463	4.994	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCC[C@@H]1CN	2250513534	HSEHJSWCRCXWAK-GOEBONIOSA-N	237.431	4.524	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@@]12CCCC[C@H]1CC2	2251163771	SEZCYNZEVPGJGY-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC)NC[C@]12CCC[C@@H]1CC2	2251167706	QQLVORAQLKSLHR-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)C[C@@H]1CCCCC12CC2	2253784269	PQXYBOBLPJAGCJ-DZKIICNBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@]2(C)CC=CCC2)C1	2253936761	FUTLYKDJICMMRC-BFYDXBDKSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC1CC2(CCCC2)C1	2254112390	FHLCNVLLKMZTKL-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)[C@@H]1CCCC2(CC2)C1	2254569866	SZCYYRTXOJAUME-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@@H]2CCC23CCC3)C1	2254968966	PDUYTNRVOIETJM-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H](C)C1CCCCCC1)[C@H]1CC12CCC2	2256428279	TWOZRMMRUHKAFB-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNC1(CC2CCC2)CC1	2257317588	YKBYLORNEOOUQJ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)Cc1ccc(C(C)C)cc1	2259434458	BUMIOPDAGGXULU-WBVHZDCISA-N	247.426	4.506	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@]23CCCC[C@@H]2CC3)C[C@H]1C	2260522679	XYGKQJAIMHDUHY-GAGVYUBLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]23CCCC[C@H]2CC3)[C@H]1N	2260615768	ZJITZHLTBIPBQE-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@H]1CCCCN1)C[C@]12CCCC[C@@H]1CC2	2260652433	RKHOHUTWTGFBOU-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(C[C@H]2CC=CCC2)C1	2261376490	OFKAXSYTCKNYCZ-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](C)NCc1c(C)c(C)c(C)c(C)c1C	2263142422	FRFSHWBHOJOOTJ-LLVKDONJSA-N	247.426	4.507	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1CC[C@@H]2C[C@@H]2C1	2297867960	REACPKJOBAALOH-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CCC[C@@H]1C[C@@H]1C	2297875915	CHOQVLDJVAUCKN-QXSJWSMHSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCN(C)[C@@H](CC)C1CCCC1	2300683667	MBXUMEFAKAVKJG-INIZCTEOSA-N	239.447	4.713	0	10	BJAE	
CCC(C)=CC[C@@H](NC)C1(C)CCCCCC1	2300870817	YNAORLUPCIVVEH-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H]1CCC[C@@H](CC)C1	2300876572	HWHRODHRNPGMEL-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(O)[C@@H](C)C[C@@H]1C	2300974075	JKRCKTUTBZEJQW-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N[C@@H]1CCCCCC1(C)C	2301708469	UWBAEACUWMUUED-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CCC1(C)CCC(N[C@H](C)[C@H](C)C(C)C)CC1	2301715537	XIJAOIRIVSHWOW-WXLSXGNJSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](CC[C@@H](C)[C@H](C)C(C)C)C(C)(C)C	2301845605	YZVYPLVRJVCSGA-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@H]2CCCC2(C)C)n1	2302262385	LMKCSLSUGHQKMJ-GHMZBOCLSA-N	249.423	4.950	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CCC[C@H]1C[C@@H]1C	2302612973	LHVPNIIKKVULSU-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](O)C(C)(C)C(C)(C)C)C1	2302897330	YYVRNOGXOIFIHX-QWHCGFSZSA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CC[C@H]1C(C)(C)C	2303404801	GKPVXCXDRVSZRE-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC(C)=C(C)C1	2303579512	OENXKBNPNHGPDF-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCCC[C@@H]2O)C1	2304432090	RBAWOEUAJMWOQU-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CC(C)(C)C1CC1)NC	2307894347	RDOFOXGHCFQFGM-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](NCC)C1CCCC1	2307900311	FPFFUWWVKHIBDO-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)C1(CC)CCC1	2307909037	SBWKJSHUAMHZEC-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)C(C)=C(C)C	2311007575	VMBKTEPYVOOCOZ-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312907749	PTECORFHPBQWCF-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCCC1)NC[C@@]12CCCC[C@@H]1CC2	2313314592	KGRVYKYJIQRVKI-UAGQMJEPSA-N	249.442	4.515	0	10	BJAE	
CC(=CCNC1[C@@H]2CCCC[C@@H]12)CCCC(C)C	2316492500	TXOLWUZWKJETMK-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1[C@H]2CCCC[C@H]21	2316505315	ZDJSMAMHJTUHAU-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC(=CC=C[C@H]1CCNC1(C)C)CCCC(C)C	2316537860	SRTVSQXFKUELEM-INIZCTEOSA-N	249.442	4.703	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2316539326	IYFFLVYDKWBVNY-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@]1(C)C[C@H]1C	2317904791	RPORXDMRXSKRIS-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1cc(F)ccc1C(C)C	2317927324	BGUAODHSNWWJBZ-OLZOCXBDSA-N	249.373	4.797	0	10	BJAE	
C1CCCC(NCC2[C@@H]3CCCCCC[C@@H]23)CC1	2318439435	FYLCZMNTHJXINV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCN(CCCC2=CCCCC2)CC1	2318591651	AMROWIBOAONERY-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
C[C@@H](CCCC1=CCCCC1)[C@H](C)CNC1CC1	2318592669	LRPMCFDASIOZNX-LSDHHAIUSA-N	249.442	4.681	0	10	BJAE	
C[C@]1(CC[C@H]2C[C@@H]2C2CCCCC2)CCCCN1	2318942307	UYTPVZLNRSLCOF-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2CC3(CCCC3)C2)C1	2319145736	RBSPLUKLCLSZDS-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c([C@H](O)C[C@@H]2CCC(C)(C)C2)c1	2319314017	QYCCTUXACOXKPE-GOEBONIOSA-N	246.394	4.553	0	10	BJAE	
Cc1cccc([C@H](O)CC[C@@H]2CCC(C)(C)C2)c1	2319325972	KOEHGIQHBCBRHE-GDBMZVCRSA-N	246.394	4.635	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCCC[C@@H]3C[C@H]32)CC1	2319335983	BRDICFWFUBRINB-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1NCC[C@@H]1CC[C@H]1C1CC1	2319747528	DPOITDGBSNXVDC-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@@H](C)CCC2CC2)CC1	2320395829	XLZCYMSIZOBODT-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@@H](CC2=C[C@@H](O)CC(C)(C)C2)CC1	2320409750	XTAKXKUXDAZIQN-GOEBONIOSA-N	248.410	4.620	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@@H]2CC=CCC2)c1	2320581902	PBOSTVRMOUWQGX-RHSMWYFYSA-N	244.378	4.590	0	10	BJAE	
CCCC(C)(C)[C@@H](O)Cc1cccc(C(C)C)c1	2320652830	DAISKWXQJMLUFO-INIZCTEOSA-N	248.410	4.540	0	10	BJAE	
C1CCCCN([C@H](CC2CC2)C2CC2)CCCC1	2320770098	CTDDPXHUIHJNBR-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC[C@@H](CCN2CCCCC23CCC3)C1	2321587236	MPHQQXZESXTNHE-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCN[C@H](c2cc(C)ccc2C(C)C)C1	2327672778	ITUHWSZNPFALGF-YOEHRIQHSA-N	245.410	4.569	0	10	BJAE	
CC[C@@](N)(c1cc(C)ccc1C(C)C)C(C)(C)C	2327677439	JHCBCMYCOHZOGZ-QGZVFWFLSA-N	247.426	4.729	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CCCC(=O)[C@H]2C)c1	2327782992	XLDPHJFKHCVJOC-DZGCQCFKSA-N	244.378	4.591	0	10	BJAE	
CC(C)CCC[C@@H](C)C[C@H](O)CCC(C)C	2600004	BXAYKLSHZOOQIQ-HUUCEWRRSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](c1ccc(C)c(C)c1)[C@H](C)CCC	35572796	GSQQBTKMJBKZQB-PBHICJAKSA-N	247.426	4.780	0	10	BJAE	
CCCOc1ccccc1N[C@H](C)CCC(C)C	36955514	MPWQLABYUGRJMT-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
C1CCC([C@H]2CCCC[C@@H]2NCC2CCC2)CC1	37253689	WTOLJCWHFHZSPA-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](Nc1cccc(F)c1F)c1ccccc1	40230071	HUAURXZYASGSFD-CYBMUJFWSA-N	247.288	4.528	0	10	BJAE	
C[C@H](NCC(C)(C)C)c1ccc2ccccc2c1	40492494	NIVFGPHXAHTDFR-ZDUSSCGKSA-N	241.378	4.537	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)c1cc2ccccc2o1	50400869	YPJGFZYLUMTXGY-JSGCOSHPSA-N	245.366	4.662	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCC[C@H](C)CC1	86879110	GMWRKRPOFDNVHB-FZMZJTMJSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)C2CCCCCC2)C1	87946557	HOYFPNVVZKHACV-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2cc(C)ccc2C)C1	87983988	JOYPYMZHXCGSGN-CABCVRRESA-N	244.378	4.703	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)c2ccc(C(C)C)cc21	94270507	PHNFAIFJRQLAPI-MRXNPFEDSA-N	245.410	4.532	0	10	BJAE	
CCc1ccc(N[C@H]2CCCCC2(C)C)cc1	94274165	GEVAVNICCQMADP-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
CCCc1ccc([C@H](C)N[C@@H](CC)CCC)cc1	103987274	USRUISFBPCVMMM-YOEHRIQHSA-N	247.426	4.868	0	10	BJAE	
CCCC(=O)c1cc(C(C)(C)C)ccc1CC	107768771	WURSOKYIVDFGTJ-UHFFFAOYSA-N	232.367	4.529	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)c1ccc(C(C)C)cc1	109718234	DMJRNRMPRQMJJU-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)c1ccc(C)cc1C	111666054	IGDAGERQCDUFDI-LSDHHAIUSA-N	247.426	4.779	0	10	BJAE	
CC(C)Cc1ccc(-c2ccccc2F)cc1	112732722	QLXVWFABAAACPZ-UHFFFAOYSA-N	228.310	4.691	0	10	BJAE	
CC(C)(C)c1ccc(Cl)cc1C(F)(F)F	114622533	GOICMTUYUZBGNW-UHFFFAOYSA-N	236.664	4.656	0	10	BJAE	
CC(C)CC(=O)CCc1ccc(C(C)(C)C)cc1	131374346	GXDWWPDSZKZXOT-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CCC)C1CCCC1	133203379	GTWGDWYTTPSPGE-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCc1ccccc1N[C@H]1CCC(C)(C)C[C@@H]1C	155828386	PMSBYOCMECKHJW-ZFWWWQNUSA-N	245.410	4.876	0	10	BJAE	
CC(C)CNC[C@@H](CCC(C)(C)C)C(C)(C)C	162420692	WDPLHQQSHSLWSG-CQSZACIVSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H]1CC)C1CCCCC1	164078687	SGTXFBSPPUYQLM-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC([C@H](O)CCCC(C)C)CC1	165752035	VXHFTEDJBFDDBU-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1csc2ccccc12	167247770	PRRNAHCKVCCSME-SMDDNHRTSA-N	247.407	4.598	0	10	BJAE	
CC1CCC([C@H](N)C[C@H](C)CC(C)(C)C)CC1	167848584	XLTZDWZNIWNRTP-OOJKYFRXSA-N	239.447	4.602	0	10	BJAE	
CCCC(CCC)C(=O)C1CCC(C)CC1	168423910	QHKBRNBOIMOPPE-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(O[C@H]2CC[C@@H](C)[C@@H](C)C2)c(C)c1	222541384	DYHRJOIXEKQOKO-IPYPFGDCSA-N	232.367	4.507	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)CC2CCCCCC2)C1	228763254	VFQPWXPJYAXBGB-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)c1ccc2oc([C@@H](C)NC)c(C)c2c1	232350889	AUHZGNOZHSVOIY-ZYHUDNBSSA-N	245.366	4.535	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc2ccccc12	233284611	UCIUFRICZSTVKX-CQSZACIVSA-N	227.351	4.830	0	10	BJAE	
CCC[C@H](NC[C@@H]1CCC[C@H]1C)c1ccccc1	300310194	RWNUXWJLCMTEJB-PVAVHDDUSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C[C@H](C)CC(C)C)C1	302339488	LUSCTRAXQHQSSA-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@@H]1C[C@H]2CC[C@H]1C2	306059903	WQVBQVPRBGVRGD-JLJPHGGASA-N	244.378	4.686	0	10	BJAE	
Cc1cc(Cl)cc2cc(Cl)sc12	307415161	IJLVVZZZDPQAPJ-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CC(C)c1cnc(-c2ccc(Cl)s2)s1	307493302	QNRDRVRWQPPCCT-UHFFFAOYSA-N	243.784	4.648	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NC)C1CCCCC1	308054707	PAKSNQUKDBKKAF-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@H](N)C2CCC(C)(C)CC2)CCC1	310542395	TYGOULRLVMJXLA-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(C[C@@H]2CCc3cc(N)ccc32)CC1	310765006	NMPAOZKKXUROCP-RUXDESIVSA-N	243.394	4.515	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@@H](C)[C@@H](C)CC	319435243	QOVBQBYPYKMNDU-OFQRWUPVSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](N[C@H](C)c1cc(C)cc(C)c1)C1CC1	324081990	HUWWFPSOIRFYLI-PBHICJAKSA-N	245.410	4.533	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)C[C@H](C)CC(C)C)CC1	328311369	ALUVTVSIPNSKLO-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)C(=O)c1ccc2ccccc2c1F	381007215	KJLGMLLOWAYKCF-UHFFFAOYSA-N	244.309	4.598	0	10	BJAE	
CCCC[C@H](CCCCCC(C)C)NCC	383155936	PDRWFJAZPVXBFT-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCCCC1(C)C	383255134	WXRVVFZNOQEXLE-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC[C@@](O)(CCCCCC(C)C)c1ccccc1	383502310	IBANJJQTUKKMGU-QGZVFWFLSA-N	248.410	4.891	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@@H](C)C(C)C	384033952	TXJPUARSUOYYFB-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CN)CCCC[C@H]1C	384730145	BAAUYCRREUKBDN-OWCLPIDISA-N	239.447	4.748	0	10	BJAE	
CC[C@H](C)C[C@@H](N)c1ccc2ccccc2c1C	384737338	QGXOQLFNSHALHE-YVEFUNNKSA-N	241.378	4.584	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@@H]2C=CCCCCC2)C1	385053836	DHBRVBUNEDENRY-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C1CCCCC1	385115797	DVPZWLJOZFTQAM-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1)[C@H](C)CC(C)C	385355477	WYDARGJRFJGTEI-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CCCC1([C@@H](NC)c2ccccc2C(C)C)CC1	386599500	KWIWCFJOENWCKR-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
C[C@@H]1[C@@H](N[C@@H]2CCCCC23CCCC3)CC[C@H]1C	386625592	NMDYXJFRRQEJSN-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCC)[C@@H]1C[C@H]1CC	387831986	YGPZHIIMICYYLX-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(O)cc1-c1cccc2ccccc12	394805046	NXARXBAKIOMJJF-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
CSc1c(F)ccc2c(C(F)F)csc12	396231531	AGIPNFBNIJQNRD-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1cc(F)cc2cc(C(F)F)sc12	396233666	FDTAISHVDPIBNV-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
COc1ccc2cc(Cl)sc2c1C(F)F	396291715	SMSUKMSNXVMQIN-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
C[C@H](Nc1ccccc1C(C)(C)C)[C@H]1CC1(C)C	397632295	OOOKMICXVLJBOZ-GXTWGEPZSA-N	245.410	4.831	0	10	BJAE	
CC(C)=CCCN[C@@H]1CC[C@@H](C)c2ccccc21	397696472	FPAFWOBFQMLUNE-RHSMWYFYSA-N	243.394	4.571	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H](C)C1CCC1	398698976	SDWZAFLRSZBZRD-DZGCQCFKSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H](C)C(C)(C)C	399035126	MQOZDUPJZDBWMD-RDBSUJKOSA-N	227.436	4.602	0	10	BJAE	
CC(C)Cc1ccc([C@@H](O)[C@@H](C)C(C)(C)C)cc1	399115685	DFARLKARELUDCE-CJNGLKHVSA-N	248.410	4.601	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H]1CCCC[C@H]1C	400736145	QLDYOYLXLNBVPE-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)C[C@@H]2CC=CCC2)[C@H](N)C1	402362101	XWNKEWUJGJHCEG-LVQVYYBASA-N	249.442	4.523	0	10	BJAE	
C[C@H](CC1CCCCC1)NCC1(C2CC2)CCC1	689780684	YEOLKFZRZGHFGY-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)CCNc1ccc(C2CCC2)cc1	690084186	HFAUXHRUVIWKEA-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
CC(C)(C)NCC1(CCC2CCCC2)CC=CC1	690471941	GULVQRCJVNGQQR-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(N[C@H](C)c2ccco2)cc1Cl	691265466	PWOZXBNCUSSJKX-SNVBAGLBSA-N	249.741	4.669	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C1=CCCCCC1	696204299	AGIACLBHXDGQRW-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCCCC1(C)C	696546468	QQRPXRBRAQUXQU-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)C1CCC(C)CC1	696562192	RRTBHZPMLJFXAP-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCc1ccc(C(F)(F)F)cc1C	698003426	JQCMWXNAXNXVGE-UHFFFAOYSA-N	242.284	4.913	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@@H]1CCCCC1(C)C	701253060	NWHTWSMXGVBTFP-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](O)(CC2CCC2)CC1	703859905	UYBMURCITOIPPG-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(NCc2ccc(C(C)C)cc2)cs1	710711380	QNQWIQUUEKQDDA-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CC(C)CC[C@@](N)(C[C@H](C)C(C)(C)C)C1CC1	710719287	IEDGHZGAPWTTME-XJKSGUPXSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@H](C)C(C)(C)C	710752479	UFOVUBPQQIYERZ-CHWSQXEVSA-N	228.420	4.636	0	10	BJAE	
C[C@H](N[C@H](C1CCCC1)C1CCC1)C1CCCC1	711830890	GNICVFGQGJUNOH-SUMWQHHRSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CC(C)(C)CC)CC1	713242328	ILOFWFDYLPDXMV-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCCCC[C@@H]1C(C)C	713263046	GVKIHIBEGZBLBV-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
C=C/C=C\CC[C@H](NC)C1CCC(CCC)CC1	713741100	SQDNYXRCFYSRTQ-KXERVDIVSA-N	249.442	4.703	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1ccc(F)cc1	714527520	GTKAIXSZCYPJPE-BTDICHCPSA-N	206.304	4.676	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCCCC1(C)C	719309528	TUSCBBIXNBEQFE-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@H](C1CCCCC1)C1CC1	723979342	BUBRZUUUXWLZFS-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
C1=CC2(CCCCC2)N(CC2CCCCCC2)C1	1176994970	FVEMOBWNFAWZKE-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CCCC1CCC(CNCCC2CC=CC2)CC1	1461753875	WDUUHUHANPWPFP-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CC[C@]1(CC)CCCCCN1	1900709904	PSGBSCPWVQJDAK-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCC(C)=CC[C@H](O)C[C@@H](C)CC(C)(C)C	1900885634	QSXXYGMDCCBPHX-KGLIPLIRSA-N	226.404	4.556	0	10	BJAE	
CC[C@@H](C)Oc1ccc2ccccc2c1Cl	1905220250	UVIGVZXKNZPXQE-SNVBAGLBSA-N	234.726	4.671	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H](CC)CCC	1905451354	UETLGDNSIUTPQR-KGLIPLIRSA-N	226.404	4.988	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](O)C1(C)CCCCCCC1	1907072190	HCVQLWGMDCCNSB-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@]2(C)CCCN2)CC1	1910266001	KAVJUTOIBTUAMR-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
Cc1cscc1NC[C@@H]1C[C@H]1C1CCCCC1	1910731004	FHLLTQBFUHEAFH-KBPBESRZSA-N	249.423	4.685	0	10	BJAE	
CC(C)C[C@@H](C)[C@]1(N)CCC2(CCCCC2)C1	1915901873	JBZAPYDGRAFHCB-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H]1[C@@H](NCCC)C[C@@H](C)C[C@H]1C	1916066308	UNVUZFBPBLPDPT-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CCCC12CCC2	1921592960	RJQPJJOTYVICRS-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@H]1CCCC12CCC2	1921596387	WTTDRHQOUIOEIE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H](C)C1CCCCC1	1924080724	HQDSGMBFOWHORJ-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@@H](C)C1CCCC1	1924096267	BTPKZURPJUHQLV-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C[C@H]1C[C@H]2CC[C@H]1C2	1925806337	DXWPAGMDAJUJQI-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
Clc1ccccc1C[C@H]1C=CCCCC1	1925818967	FXIBCTBQLFXPRE-LBPRGKRZSA-N	220.743	4.629	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCCC1)CC1(C)CC1	1925921480	HOBUYFZFULITRM-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC(=O)CCC(C)(C)CC	1926172018	SPWHSYFNGHJQHL-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCC(CC)CCN[C@H]1CCC12CCCCC2	1926188869	IFVIMBHEGGYBSG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@H](N)c1ccc(C2CCC2)cc1	1926384907	UJMDKPHEORHNGQ-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C[C@@H](C)C(C)(C)C	1937169674	RLBJRJUPEPUJJU-QWHCGFSZSA-N	226.404	4.700	0	10	BJAE	
CC(C)C[C@H](C)CNCCC1CCCCCC1	1941720165	SDNJCRSCFHYJAA-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C(C)(C)C1CCCCC1	1944666744	VGTXEUFONQCNFC-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@@H]2CC2(C)C)CC1	1944745657	YXPWIPDWTJBOQJ-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)(F)CC(=O)C1CCC(C(C)(C)C)CC1	1947083965	MHTWOTRPIFLHIK-UHFFFAOYSA-N	242.378	4.546	0	10	BJAE	
CC[C@@H](CC(=O)CC1CC2(CC2)C1)C(C)(C)C	1948669684	HPZSSMQEYXYNBH-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@](C)(N)CC(C)(C)CC(F)F	1949015335	RKQVWQRBPPPDDU-CQSZACIVSA-N	249.389	4.746	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)CC2CCCCCC2)C1	1949551126	IMRIFVDTIHWTBS-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCN(C[C@H]1CCC(C)(C)C1)c1cccc(C)c1	1963272202	GUVUITKWHWHVQU-HNNXBMFYSA-N	245.410	4.648	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCCCC23CCC3)C1	1967800727	ZGWNNZDKXKXKMT-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(C)cc(NC[C@H]2CCC(C)(C)C2)c1	1968307101	DJSZTDPQVXMDND-AWEZNQCLSA-N	231.383	4.542	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1CCC2(CC2)C1	1968367346	XLWHFRXOJRWZSN-AWEZNQCLSA-N	244.378	4.769	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@H]1CCCC2(CCC2)C1	1970477648	XZMVSGFHLFOKRY-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCc1ccc([C@@H](C)NC[C@H](CC)C(C)C)cc1	1973388187	WDZKWALBBNGQJO-ZBFHGGJFSA-N	247.426	4.582	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1CCC[C@@H](C)C1	1978428164	HJVZHQRXYUYEDN-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C)CCC(=O)c1ccc(Cl)cc1	1980685137	ODNKDINGBJCQPB-LLVKDONJSA-N	238.758	4.739	0	10	BJAE	
CCCC(CCC)CN[C@H](C)CC(C)(C)C	1981286922	IVNONKFVSCDTRX-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)C1(C)CCC1	1981359768	GFQYKNOBBSAKCB-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC1CCC([C@@](C)(O)CCCC2(C)CC2)CC1	1996545601	ACHVUZVZFQVIKD-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCCC2(CCC2)C1	1997039677	MVIRRHZSFWQWRB-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(C)CCNC[C@@H]1CCC[C@H](C)CC1	1997117994	UWPNTZNXYFYOQA-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CCC[C@H](C)CC1	1997118482	XWSYDLGSFMQWGM-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)C1(C)CC=CC1	1997543661	KCYFJFNPLIWZBJ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)CNC[C@]1(C)CC=CCC1	1997586731	UWIXIRAFQKUDDH-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@H]1CCC=CCCC1	1999999288	QWFOIWYRJQOBMN-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C)CC1(O)CCC2(CCCCC2)CC1	2000280480	NJPLZWHYLLGQIE-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@@H]1CCCC[C@H]1C	2000319232	HOZUBRAICDPSQM-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CC[C@H]1CC1(C)C)CNC	2000506055	XPNVVEUVFUKIOA-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@H](C)C(C)(C)C)CC1	2002928653	ZGOIDXKHEARZMT-LMRVLLHPSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(Cl)nc(-c2ccc(C(C)C)cc2)c1	2003073203	XMTGEZIBPBJNCA-UHFFFAOYSA-N	245.753	4.834	0	10	BJAE	
CC(F)(F)CCCC1(O)CCCCCCCC1	2003112054	QXJFFVLIRPAQOH-UHFFFAOYSA-N	248.357	4.677	0	10	BJAE	
CCC(CC)C[C@H](N)[C@H]1CCCCC12CCC2	2005591420	FVEXZCBCBFYMPN-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC1CC(C[C@@H]2CCCCCCCC2=O)C1	2007769047	JILAGAJSVWSHFC-NRXISQOPSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)CC(CC)CC	2007939084	DMXIWIIEASJTGB-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCC(C)(C)CC[C@H]1N	2009404318	MHZGQMUMWMEVBX-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2CCC=CCC2)CC1	2009404506	OAZRPORMGCJQRK-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
C/C=C/CCC[C@H](O)[C@@H]1CCC[C@H](CC)CC1	2009593290	NHTXYNKARPGSBH-OOAARUEISA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@@H](C)C[C@H]1NCCC	2009626157	DGVFPTPUHOZOFZ-PSVUTLLTSA-N	237.431	4.537	0	10	BJAE	
O=C(CCC1CC(=C2CCC2)C1)c1cccs1	2011073145	JVLAMJDOFGMODF-UHFFFAOYSA-N	246.375	4.602	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1CC(=C2CCC2)C1	2011094348	VKIUFVWFQJYFNN-LBPRGKRZSA-N	234.383	4.518	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C1=CCCCCCC1	2013270906	MXEOAUGMNDVIMR-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc(C(C)C)n1	2013509631	DRVLPFJCEBVJKL-CYBMUJFWSA-N	234.387	4.586	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)C2(C)CCCC2)C1	2014339744	NOCNAKSQBKCNHB-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(N[C@@H](C)[C@H]2CCC2(C)C)c1C	2014895482	JPNOHPFRMKFUFX-UONOGXRCSA-N	231.383	4.540	0	10	BJAE	
CC(C)C(C[C@@H]1CC(=O)CC(C)(C)C1)C(C)C	2015379870	QOMXMHKGAYNGIQ-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CC1(CC)CCC1	2015596652	SSJZBFCFFDHGSY-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C1(C(C)(C)C)CCC1	2017133789	XDBGNFAZIJVVER-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCCNCC1(C(C)C)CCC1	2017137669	AFAVHMMHWWVIRH-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)c1cc2ccccc2s1	2017485522	FTQTZPVNYHDWAH-HNNXBMFYSA-N	245.391	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@]2(C)CCCC(C)(C)C2)C1	2017623382	PPYOARGUCYMYOF-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCCC1([C@H](O)C[C@H]2CC[C@H](CC)CC2)CC1	2017649125	SGQDMENZXBHOAS-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@@](C)(CO)CCC)CC1	2017711285	BGMFTXXPCPAGNM-GPANFISMSA-N	240.431	4.782	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)C[C@H]1CC[C@H](C)CC1	2017711891	IUCMAGHZUAGPPU-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCCC1CC(N)(CC2CCC(CC)CC2)C1	2017728202	IUBDKODLCVTGEJ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@H]1CC[C@H](C)CC1	2017738078	MZCFMZQCMATWLA-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)C1CCCCC1	2018139583	SWPUMWHOXZWOQL-GOEBONIOSA-N	239.447	4.904	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1CCCC[C@H]1CC	2019199802	MKIAAAFCFZTETL-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CCCN(C1CCCC1)[C@H]1CCC[C@H](CC)C1	2019204034	SXEFYTRGPVLSPT-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
Cc1ccc(NCc2cc(C)c(C)s2)c(C)c1	2019923229	SOFKCODCVBRCPF-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCCCN(CC1(CC)CC1)C1CCCCC1	2020535890	OPPVIWWSIIPRKD-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCCN(CC1(C)CCCC1)C1CCCC1	2020537903	UHXAIUUNAWLDTR-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCCCc1ccc(C(=O)CC(C)(C)C)o1	2021518931	JTDLLFWFIBYMGK-UHFFFAOYSA-N	236.355	4.631	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1C[C@@H]1C(C)(C)C	2022559014	AZTFXGYTVQPTQN-YCPHGPKFSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CCC[C@@H](C)[C@H]1C	2023000213	ZUPBHVHOPNPERZ-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CCC[C@H](C)[C@H]1C	2023000214	ZUPBHVHOPNPERZ-RRFJBIMHSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCCCC(C)(F)F)C1	2023311818	OUMFRUBYWHAAEZ-OCCSQVGLSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCCCCC(C)(F)F	2023361939	FGWGBUGCJSAZOG-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](O)C2(C)CCCC2)C1	2024124897	RGTXOTAZESKFCI-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC[C@@H](C)C(F)F	2026065693	WVKAAHDHPPYKBI-VXGBXAGGSA-N	248.357	4.843	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)CCC1(C)CC1	2027732437	NSNHNPDOSWXPDJ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)c1	2027793709	ORQBPDOISJGQKZ-DNNBLBMLSA-N	245.410	4.786	0	10	BJAE	
CCCN[C@@H](CCC[C@H]1CC1(C)C)c1ccco1	2027854240	CMSNWMKDBZMNPV-KBPBESRZSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1cccc(C2CC2)c1	2028554323	IWYKAIWBOAKJOO-IAGOWNOFSA-N	246.394	4.670	0	10	BJAE	
CC1(CCCC(=O)[C@]23CCCC[C@@H]2CCC3)CC1	2031847311	KPFIYXSYENSBFZ-PBHICJAKSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@H]1CC12CCCC2	2036088026	BIVDHQOZNCSKQH-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H]2c3ccccc3NC[C@@H]2C)CCC1	2037222921	GTUOTYXADZQACY-DZGCQCFKSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)C[C@H]3CCCC[C@@]3(C)C2)C1	2037589571	GDRJYTPPFKFXDK-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1C[C@H](CC2CCC=CCC2)CCC1(C)C	2037863261	LLTLKCZOYXGJSB-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@H]1CCC2(CC2)C1	2038568595	RGBCUAHHYXGAAC-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@@H]2CCCC23CC3)CC1	2039382511	ANQVJLAPSXDKEV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@]1(C)CC=CCC1	2042030992	PZXTWOZEJMPFFK-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1N[C@H](C)CC1=CCCCC1	2043187762	OGMGZBOABDVUES-DJIMGWMZSA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C[C@@H]1CCC=CCCC1	2045329356	NHKDAWGKMYGGDK-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2C[C@H]3C[C@H]3C2)CCCC1	2045849329	YRWXJESVSQLEOE-QKDCVEJESA-N	248.410	4.598	0	10	BJAE	
CC(C)(C[C@@H](N)C[C@H]1CCCC2(CC2)C1)C1CC1	2049851270	CXRMUDWCCFTNIE-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C[C@H]1CCC2(CC2)C1)C1CCCCCCC1	2049867880	YATFBPTXORZKGU-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@@]1(C)C=CCCC1	2050008764	VQDCDWYKVZAVTL-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C)(CNC2(C3CC3)CCCCC2)C1	2050112000	BAPGAFVWWJBPOE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](CNC2CC2)[C@H](CC=C(C)C)C1	2051409847	VKEVMPBEXRJMNS-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1(C)CCC1)[C@H]1CCCCC12CCC2	2053413050	SAAKUQCVXIGKLI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H]1CCCCC1(C)C	2056872756	GYXNJRALAWQVKY-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCCNc1cccc(O[C@H](C)CC)c1	2059225368	MCTSVMBKWYHKHA-YVARQFDVSA-N	247.382	4.632	0	10	BJAE	
CC=CCCC[C@@H](C[C@H]1C[C@H]2C[C@H]2C1)NCCC	2059251247	YIZOIUYRTGEFAN-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@]1(CNCCC)CCC12CCC2	2059254333	YWHRXCVHYLULDO-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC=CCCC[C@H](NC)c1cccc(C2CC2)c1	2059266903	KEQMPRHTDTZREC-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC=CCCC[C@H](C[C@H]1C[C@H]1C1CC1)NCCC	2059268092	VMQOFVFHOQCYTR-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCCCC1CC(N)(C[C@H]2CCCC3(CC3)C2)C1	2059496025	VHEIKDRUBSWLSZ-UQPPLGOBSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)CCCC2CC2)CC1	2061143581	LKASGUVZKVOJAS-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@@H]1C[C@H](CCC)CC[C@H]1CNCC	2061563106	LNAUEDNUUXQUNA-ZACQAIPSSA-N	249.442	4.550	0	10	BJAE	
C[C@@H](NCCC1CC2(CCC2)C1)C1(C)CCCC1	2067508018	HTIOHKXDCCWJII-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)CC2CC(C3CCC3)C2)CCCC1	2067530117	NOEIOLKTDLKBKG-PGEKIEPBSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)CCC1	2069268875	XCFFUVRSDWQMAK-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CN2CCC[C@H]3CCCC[C@H]32)CCC1	2069282613	MFWZQKIVCWIRBT-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC(C)=CCC[C@@]1(C)CCNC[C@@H]1C1CCCC1	2070402009	BFLFAEMIXHBWOK-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@@H]1C)[C@]1(C)C=CCCC1	2070866148	CMYCDMFHRMVLTB-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(CC(=O)C2[C@H]3CCCC[C@H]23)CCC1	2071912461	GCPHMNYMXQYKOP-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CNC[C@]2(C)C=CCCC2)CC1	2072801175	LNXLAFMLWCZXAU-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](C)c2cccc(N)c2)CC1	2072807954	BCGDDGGATAPLRP-RBSFLKMASA-N	245.410	4.979	0	10	BJAE	
CC(C)c1ccccc1NC[C@]12CCCC[C@@H]1C2	2074045229	DJBSOCPRCXNHMW-RHSMWYFYSA-N	243.394	4.802	0	10	BJAE	
C[C@H](C=C1CCNC2(CCCC2)C1)CC(C)(C)C	2074132333	CBOITVPCUARSDR-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CC(=O)c2ccc([C@H]3C[C@@H]3C)o2)CC1	2074601236	NHTUZMUUVRZVJH-RYUDHWBXSA-N	246.350	4.556	0	10	BJAE	
CCCN[C@@H]1[C@@H](C2=CCCCC2)CCCC1(C)C	2076402003	QDLJDHKPGIDBIU-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCCN(C[C@@H]1C=CCC1)C1CCCCCC1	2076547191	MIVKHNNOCJWPBO-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCCCN(C[C@@H]1CC12CCCC2)C1CCCC1	2076591263	LQWXACMTZDZUNY-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC(C)=C[C@](C)(N)C[C@@H]1C[C@@H]1C1CCCCCC1	2079820361	QNLJRICZEIOEJR-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@H]1C[C@@H]1C1CCCC1	2079833292	SJTFPZCBFDPPFX-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC(C)(C)C)c1cc(C)cc(C)c1C	2082919652	RXKPBMZVKLFGKJ-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)C[C@H](C)C(C)(C)C)c1	2082926180	RPGDIDJABOEUFD-XJKSGUPXSA-N	247.426	4.684	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)CC(C)(C)C(C)C)c1	2082941505	HHFULTLIFVQLLH-MRXNPFEDSA-N	248.410	4.718	0	10	BJAE	
CCN[C@@H]1C[C@H](C2(C)CCC2)C12CCCCCC2	2083329004	ZKTYWTNFWKOUFC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(C[C@H](N)CC2CCC3(CC2)CC3)C1	2084995853	CTDCGWHXNBNELG-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(C[C@@H]2CCCC3(CC3)C2)C1	2085304223	ZAINAVHKAJHYBK-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](C)(O)CCCCCCCC1CC1	2212445412	AMNMWEANQRVLOM-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CC)CN[C@H](C)CC	2212585953	YAVNNACSXOUFQV-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CCCCC2CC2)C1	2214568733	JHXKUIDVJNXDBK-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(C)=O	2216762499	JMMVQIASRJBWFQ-FZKCQIBNSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@@H]1CC[C@H]2CCCC[C@H]2C1)C(C)=O	2216762500	JMMVQIASRJBWFQ-JJXSEGSLSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C1CC1)[C@@H](O)CCCCCCCC1CC1	2216882688	BMLSKLVZYBWCLN-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)NC[C@](C)(C(C)C)C1CCCCC1	2217143068	YVONROIWSPAISG-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC1(C)CCCC1)C(C)C	2217145221	NDRHAEWYIHOXGD-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218336600	XCRZNCBIAXSUPY-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)C[C@@H]2CCC[C@@H]2C1	2218728227	VDMJYATUXDHMIK-FVQHAEBGSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)c1cc(C)co1	2218733800	ZJIXOINJEIFANM-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CN[C@H](C[C@H]1CC[C@@H]1C)c1ccc(C(C)C)cc1	2220557270	GVXYNGWJAUEMMH-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)[C@@H]2CCCC3(CC3)C2)C1	2221016465	OGBBFYCETSWASV-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@@]1(C)CC=C(C)CC1	2221616807	VSYPAIUFXDHUSH-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1	2221642996	LEADDGCKCSBHBK-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
c1ccc(OC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1	2222917902	MMMDMEICVUNWIQ-OWCLPIDISA-N	244.378	4.672	0	10	BJAE	
c1ccc2c(c1)ccn2Cc1ccc(C2CC2)cc1	2231689454	IQPLMWUDVFWRMO-UHFFFAOYSA-N	247.341	4.567	0	10	BJAE	
CCCCc1ccc([C@@H](CC)NCCC)s1	2242598641	HKWNPBUHYVYSAO-CYBMUJFWSA-N	239.428	4.541	0	10	BJAE	
CCC[C@H](N)CCCC[C@@H]1CCC[C@H](C)C1	2242814572	AAZPQKVTYZOVDH-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)CC(=O)CCCCC[C@@H]1C[C@@H]1C	2243877944	SCEMRXBOLHIFTI-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](O)CCCC2CC2)C1	2246695914	QCQPLZUXGUYKLT-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCCC[C@@H](N)C2)C1	2246731522	XZDCTYPTIBDCAS-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC1CC(C)(C(=O)c2ccc(C3CCC3)s2)C1	2250277483	UIEBZBNITZUASC-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCCCCC1CC(NC[C@@H](CC)CCC)C1	2250382038	CFNDLOAUFCZPJW-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](C)(N)CC1CC2(CC(C)C2)C1	2250449986	SNZBOINAMQKXCB-UFFJXHMVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@]12CCCC[C@H]1CC2	2251166283	IJVLRTCPNMXTKZ-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@]12CCC[C@@H]1CC2	2251213650	ZMTYMNDDHOMHSQ-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](Nc1cccc(C2CCCC2)c1)C1CC1	2251221876	LUWJKAZLVLLGLR-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
Cc1cccc([C@H](O)CCCC[C@H]2C[C@H]2C)c1C	2254577652	ALGRDQVFJRTHKN-UKPHBRMFSA-N	246.394	4.553	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2CCC23CCC3)CC1	2255011428	WETYMGABTOYRJM-NPCAHTBFSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@]1(N)CCCCC12CCCC2	2255021594	ALNFHUAPZCUHQT-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CC2=CCCCC2)CC1	2255132258	KAIBCBHNCLEKPZ-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
O=C(CCC1CCCC1)CC[C@@H]1CCCC12CC2	2255312237	FUUAQKSZHDBWTP-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@]1(C)CC=CCC1	2257249859	WDJFVSBABDMDGV-BFYDXBDKSA-N	248.410	4.908	0	10	BJAE	
CC1CC2(C1)CC(CC[C@@H](N)C1CCCCC1)C2	2259551803	MVLGDMFFGDOQNZ-DZTUWMGKSA-N	249.442	4.501	0	10	BJAE	
N[C@H](C1=CCCCCCC1)[C@]12CCCC[C@@H]1CC2	2260491945	QGQNJWOMFJYHDO-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)CC(=O)Cc1cccc(C(C)(C)C)c1	2261363953	RUMDFBKVKVPWJY-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CC(C)c1coc2ccc(CC(F)(F)F)cc12	2299977136	XKABJLGNCODDIE-UHFFFAOYSA-N	242.240	4.661	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1cccc(F)c1F	2300501156	KGAHAJSFXVKIJS-NSHDSACASA-N	241.325	4.592	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCC1=CCCCC1	2300506320	XMNRCKWPTIIIFX-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
C[C@@H]1C[C@@H](Nc2cc(C3CC3)ccc2Cl)[C@@H]1C	2300674464	VBEZUAIIDKIBIO-GPCCPHFNSA-N	249.785	4.674	0	10	BJAE	
CCC(CC)CC[C@H](CC1(C)CCCC1)NC	2300683053	FSJIAMXOVKMZRE-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)=CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O	2300866908	FKPLERKBTIQCMM-ILXRZTDVSA-N	238.415	4.556	0	10	BJAE	
CC(=CC=C1CCC[C@H](N)C1)CCCC(C)C	2300901352	INTRIEYHELCRNM-INIZCTEOSA-N	235.415	4.587	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCCCCC2)CC1=O	2301139425	GJPKHRLUMIIMAN-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1[C@H](C(=O)C2(C)CCCCCC2)CC1(C)C	2302135192	KGNNHDXBBLTRJQ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C[C@H](N)CCCCC2CC2)CC1	2302568984	FEGWRWKNNWUOCR-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
O=C(CCCCC1CC1)CC1CCC=CCC1	2302573242	CFRCZKNXCVFKIP-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CSc1cccc(NC[C@@H]2CCC(C)(C)C2)c1	2302681734	XCQKGUOGBMQNIT-GFCCVEGCSA-N	249.423	4.647	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1CC[C@H]1C(C)(C)C	2303466038	RYXWIZNMQOHHIT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N(CC)C[C@H]1CCC(C)=C(C)C1	2303516733	RFFBNVBRTKJGIQ-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC[C@H]1CCC(C)(C)C1	2304433265	AEVZAOPDBOMYSM-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CCC)[C@@H]1CC1(C)C	2307832568	UOHIGBORQUURSM-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CCC[C@@H](CC)C1	2307838074	MXXDTAKGXWODFB-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C[C@@H]1CCC12CCC2	2307892677	FLOXCVGDZFYJMT-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C[C@H]1CCCC12CC2	2307903771	PTSCPEIWDXHBAF-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2308397346	OIDXJPNJUQLBGF-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@H]1C[C@@H]2CCCC[C@]2(C)C1)C1CCC1	2308401373	VKNYVKIMRXZVQF-LUKYLMHMSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1	2309149424	XKOUOLSUGKEBMJ-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](N[C@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309185407	WZEGTIIZHQZNFU-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
C[C@@](N)(CC1CC1)C[C@@H]1C[C@H]1C1CCCCCC1	2311606927	OFZXPGXVEJCXOB-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](C[C@@]23CCC[C@@H]2C3)C1=O	2313407098	IBMZUVSHUCLTJK-IGCXYCKISA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CCN(CC)Cc1ccc(C)cc1	2316267433	XFTOIYTYADMCOY-UHFFFAOYSA-N	247.426	4.643	0	10	BJAE	
CC(=CCN[C@@H](C)c1ccco1)CCCC(C)C	2316497694	UQVYCMPDPKIKDW-HNNXBMFYSA-N	249.398	4.703	0	10	BJAE	
N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2CC1CCCCCC1	2316936255	APKNCQRFPRQWBQ-GANOOXTDSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](NC1[C@H](C)C[C@H]1C)c1ccccc1	2316951877	FXUZYXLEHREYTL-FMKPAKJESA-N	245.410	4.552	0	10	BJAE	
O=C(CC1CCCCCC1)C1CCC2(CC1)CC2	2317000604	DQEDTUIZGBZJCS-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCc1cccc([C@H](N)CCC2=CCCCC2)c1	2317961317	DRMIMIMFMNYBCN-QGZVFWFLSA-N	243.394	4.529	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@H]1CCC[C@@H]1C	2317964632	WEVRAFBPOOUFBL-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@H]1CCC2(CC2)C1	2317967825	AYWKVAULMTZTNB-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
C[C@@]12CCCC[C@@H]1CN2CCCC1=CCCCC1	2318591690	AYLLHPBJDFPLTM-IAGOWNOFSA-N	247.426	4.532	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)C2(CC3CC3)CCC2)C1	2319035777	ZMZHZOOKFQLIDL-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CCCC3(CCC3)C2)C1	2319312889	NWVVROIRORMSBQ-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@H]1CCC(C)=C(C)C1	2320339427	DNVCMTDFKUKOGV-BBWFWOEESA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CC(C)(C)CCC2=O)CC1	2320347105	HXTFOLRJRNNPDD-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
CC1=CC[C@@](C)(NC[C@@H]2CCC(C)=C(C)C2)CC1	2320406292	MEQRCVQPWZXLOS-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCC1CCC(C[C@@](N)(CC2CC2)C2CC2)CC1	2320627742	YMTKSOUIYQBFNB-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)Cc1cccc(C(C)C)c1	2320659743	HAXSCMIHEXRMIA-RDJZCZTQSA-N	247.426	4.506	0	10	BJAE	
CCc1cc(N[C@@H](CC2CC2)C2CC2)ccc1C	2320697941	RRLUUBCWNSHVDH-KRWDZBQOSA-N	243.394	4.548	0	10	BJAE	
CCc1cccc(NCC[C@@H]2CCC(C)(C)C2)c1	2321600650	QXKRSJIVAMOJRT-HNNXBMFYSA-N	245.410	4.877	0	10	BJAE	
Cc1ccc(C(C)C)c([C@](C)(N)CC(C)(C)C)c1	2327658953	BWDYVFBSVJNZGC-QGZVFWFLSA-N	247.426	4.729	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H]2CCCC(=O)[C@@H]2C)c1	2327782993	XLDPHJFKHCVJOC-HIFRSBDPSA-N	244.378	4.591	0	10	BJAE	
CCC[C@@H](C=C1CCC([C@@H]2CCNC2)CC1)CC	2328097737	NZYZPFXUKRLZOI-DRXWIORDSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc2sc3cc(C)c(C)cc3c2c1	2583651	QSOGKFSFLARZIE-UHFFFAOYSA-N	226.344	4.980	0	10	BJAE	
CCc1ccccc1N[C@@H](CC)C[C@@H](C)CC	20547503	QUFQOMAGAGMRBY-ZFWWWQNUSA-N	233.399	4.876	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CCCC[C@@H]1C(C)(C)C	36920849	DACHQBPENIDFSJ-ZQDZILKHSA-N	239.447	4.616	0	10	BJAE	
C[C@H](N)c1ccccc1-c1ccc2ccccc2c1	38071107	HKANRGCRRVSVGF-ZDUSSCGKSA-N	247.341	4.527	0	10	BJAE	
CC[C@H](C)CN[C@@H](C)c1ccc2ccccc2c1	54467258	CTWABUBODYGZRH-KBPBESRZSA-N	241.378	4.537	0	10	BJAE	
Cc1ccc(C(C)(C)CC(C)(C)C)cc1	77979304	LBBDBVWOGDWBLF-UHFFFAOYSA-N	204.357	4.709	0	10	BJAE	
CC(C)c1ccc([C@@]2(O)CCCC(C)(C)C2)cc1	79982699	CGIVQKRLFIPZBY-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCC[C@@H](C)CCC[C@H](NCC)c1ccccc1	80424816	PNLRKECPFKHOQD-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CCCCCC[C@@H](C)NC1C[C@@H](C)C[C@@H](C)C1	84468179	RITHOBUTXYLORR-IUOOZAAYSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C1CCC(C)CC1	85081083	YDTOWMUTDYFMBC-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(O[C@@H]2CCCC[C@@H]2CC)cc1	85150719	RKSDURLINRFRMX-GOEBONIOSA-N	232.367	4.597	0	10	BJAE	
CCCCCCNc1c(C)cccc1Cl	85387950	FDKLWKXMMPTNFP-UHFFFAOYSA-N	225.763	4.641	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCCC[C@@H]1C	85388140	REKBSWUFWLPGGT-GXFFZTMASA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC[C@H](C)CC1	86887197	REWLWCQTOIQHHV-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCC[C@H](CC)CC1	86898092	FPTMIWZCFQFPKN-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	93523903	FIISHHGUSOLZTQ-CFVMTHIKSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc([C@@H](C)N[C@H](CC)C(C)C)cc1	103974729	IFVSUSXXKZIJMS-RHSMWYFYSA-N	247.426	4.724	0	10	BJAE	
CCCc1ccc([C@@H](C)N[C@@H](CC)CCC)cc1	103987268	USRUISFBPCVMMM-PBHICJAKSA-N	247.426	4.868	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CCC)c1ccccc1	109656230	AMRKTCXQSOHURT-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
Cc1ccc([C@@H](O)CCC2CCCCC2)cc1C	109781491	IKRPGHJAQJGZDX-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)c1ccccc1C	110229214	FEUPBQUPVXYEPL-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)(C)C)c1ccc(C)cc1	111648185	LCIBODOLFFGIGK-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
CCCC[C@@H](NCCC)C1(CC)CCCC1	124726730	IASFVCCDNZIIPG-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC(CCC)[C@H](O)c1ccc(Cl)cc1	132973135	ACPDUNCYUAXGCD-AWEZNQCLSA-N	240.774	4.590	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1cccc(C2CCC2)c1	133578629	CTKFGVBLALQBJF-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CCC(CC)CC(=O)c1cc2cc(C)ccc2o1	139731294	FEPLTOVRUMHPAL-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
CC(C)CNCC1(C2=CCCCC2)CCCCC1	161470904	WKQFJVVZULDIOF-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CN[C@H](CC1CCCCCC1)CC1CCCC1	162711504	PKWNHFHZJKYXTB-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C1CCCCC1	167035536	RQOGWXZLLOQNHA-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)c1ccc(C)c(C)c1	167279554	AVONSNDNYYGOFW-DYVFJYSZSA-N	247.426	4.780	0	10	BJAE	
CC[C@H](C)C[C@H](N)c1c(C)ccc2ccccc12	167364272	LZRQAUMFCKWLFN-LRDDRELGSA-N	241.378	4.584	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)c1csc2ccccc12	226527554	RLHCSUHAFVBKNC-WDEREUQCSA-N	244.359	4.520	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)c2ccc(C)cc2C)C1	227389972	ODDHXPLOIKFULP-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
CCCCCCNC[C@@H](c1ccccc1)C(C)C	232960369	GFMSJQMBFRFJPH-QGZVFWFLSA-N	247.426	4.596	0	10	BJAE	
CCC[C@@H](C)C1(CNC(C)(C)C)CCCCC1	233273501	LSYKIJUNEADUJO-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C1CCC(CCN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	251076038	GKCACUJBXPMNFX-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]([C@H]1CCC[C@H](CC)C1)C(C)(C)CC	253041199	LCVXHQXIEOVXGD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H]1c2cccc(Cl)c2CC[C@@H]1C#N	260494867	HABDRQWSHMVQND-QMTHXVAHSA-N	247.769	4.556	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@H]1CCC[C@H]1C	300286047	MBCUPBIDYSHURW-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](c1c(C)cccc1C)[C@H](C)CC(C)C	302564539	NIZOLPOSLJSDPC-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1CCCC(F)(F)C1	304218290	SIZKLGCKHZDGDD-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H](C)c1cccs1	304431686	SUJBDBUTYWACHZ-VXGBXAGGSA-N	239.428	4.614	0	10	BJAE	
CC(C)[C@]1(CCC2CCCC2)CCCCCN1	305899096	YWXOGLJCDQOODF-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CSc1cccc2c(C)c(Cl)sc12	307054342	RCGVSJOXAYZCDR-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Clc1cc(Cl)c2sc(Cl)cc2c1	307457647	GFORPYXJYPSVDX-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
Fc1c(Cl)cc2ccsc2c1C(F)F	307718041	OFONGOAIMJXCNI-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CCCC(C)C	308024138	MCLFIWQEUFNOFM-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
CCCN[C@@H](CCC[C@H](C)CC(C)C)C(C)C	309993139	ZGGISVHURKOGAP-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CN[C@@H](CCCC1CCC(C)(C)CC1)C(C)C	310491388	HJULNBLJHDFFQQ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC2(C)CCCC2)CC1	310560798	VPJMLDYJQZTIGP-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)c1coc(C)c1	310979388	QTJMCKOCAZHBCX-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCCC23CCCCC3)[C@@H]1C	313008420	IHMHMCSLZXOUOF-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CNC[C@]1(CCCC(C)(C)C)CCCC[C@H]1C	316796329	LJZDHYNAOQFYPL-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC(C)C)([C@@H]2C=CCCC2)C1	317930071	NDDQAXFJAUTPLD-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C(C)(C)C1CCC1	322301371	IHICFFIQCFWXON-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](Nc1ccc2ccccc2c1)C1CCC1	322484982	VQLRUVWOGZDGJN-QGZVFWFLSA-N	239.362	4.830	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC12CCCCC2)C1CCC1	324821358	WHMZYAGZDKZPCJ-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
C[C@H](/C=C(/CN)C1CCCCC1)C1CCCCC1	381039604	VPUXSZZPTUJNBI-MTOJCTJASA-N	249.442	4.668	0	10	BJAE	
CC(C)CCCCCc1cccc2c1NCCC2	383365919	HUUWGUNCNWBWBI-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2CC)CC1	388585713	HZHPYFHBPPPJEB-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCNC[C@@H]1CCCC1(C)C	389107936	MMTLWRFNNNBKAF-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)[C@H](C)C1CC1	394865222	OSKRWRDSHAJDGD-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC1CCCCCC1	401359466	HMDYNNJNKWKOPI-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1ccc(C)cc1F	401860769	YZXDNCKQOOHCDM-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
CCCC[C@H](C)C(=O)CCC(C)(C)C1CC1	405769843	KKGPZIVOCWUUPD-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1cccc(NCC2(C(C)C)CC2)c1	687530543	FJNPQAKGBYKNLG-UHFFFAOYSA-N	231.383	4.658	0	10	BJAE	
CC[C@@H](C)c1ccc(OCCCC(F)F)cc1	688776751	FMOGPQNDGZRGEL-LLVKDONJSA-N	242.309	4.624	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)[C@@H]1C[C@H]1CC	688938726	AFOAFEYBDCSHEU-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC(C)(C)C(F)(F)CC	691060559	NTAFRJXDAMZJFS-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCCC1(C)C	691188593	SKRRQFRGABGONG-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CC3CCC2CC3)CCCCC1	691776294	ZJHZWDLOMYBHPK-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@](O)(CC)C1CCCC1	696715132	YTJDQCCOVDNDRU-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)[C@@H]1CCCC[C@H]1CNC(C)(C)C	701145016	DXSMFLRWAJSLSN-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)C(C)(CC)CC	701244671	SQPQGOIEVKQZLO-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)C1=CCCCCCC1	708300548	DLMJHHMYMONBRY-HIFRSBDPSA-N	237.431	4.667	0	10	BJAE	
C[C@H](CNc1cccc(Cl)c1)CC(C)(C)C	709073928	HIFBGXQNQVNPRI-NSHDSACASA-N	239.790	4.824	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C12CCC(CC1)CC2	710323787	NLVGLLPZQVWAJR-GYMHETDLSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@H](CNCCC)C1CCCCC1	711313382	QVRINCPZUGDRAM-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCCC[C@H]1CNC(C)C	713182533	GTSKRYNOLXVUEM-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C/C=C/C[C@H](CC)c1cc(C)c(C)cc1F	714545798	CLOZIFBOINQAPJ-IYNGYCSASA-N	220.331	4.902	0	10	BJAE	
CNC[C@@]1(CC2CCCCC2)CCC=CCCC1	718995453	HLFSUEMYBHCXPS-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H]1CCCCCC1(C)C	719286876	MVEZZJDUQIUQPP-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@H]1CCCC12CC2	719308385	NEYVQSKNKXVCLC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C1(C)CCC1	720772529	WAJAFYYZIYNQNG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CC1(CNC2CC2)CCCCCCC1	722883813	NIMJJHRFUSLFKW-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)C[C@H](C)CC(C)C	1307687966	CFIQHBFSTWTEMQ-OAGGEKHMSA-N	239.447	4.569	0	10	BJAE	
CCCCCNC1CCC2(CCCCC2)CC1	1460997929	WRMKWISIJPCZAV-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
C/C(=C\Cl)CSC[C@H](C)CC(C)(C)C	1559403509	TZIAXQSBTXCVMD-UEUZTHOGSA-N	234.836	4.935	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@@H](C)[C@H](C)C1)C(C)(C)C	1659822402	HHNPTEADRZQASC-TUVASFSCSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(OCC(C)C)cc1	1857847930	MBYCMMHTZHTXGN-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
CC=CCCCCC(C)(C)C(C)(F)F	1885361431	JYFVWRMWHHKLSM-UHFFFAOYSA-N	204.304	4.804	0	10	BJAE	
CC(=CC[C@@H]1CCC(=O)C1)CCCC(C)C	1900827940	URBSGLDERBVMDV-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CCC[C@](C)(O)CC=C(C)CCCC(C)C	1900879780	DNSKYTMBBNRBLC-HNNXBMFYSA-N	226.404	4.700	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)CCC=C(C)C	1905435132	PAXSAMVLDPJWDV-CABCVRRESA-N	225.420	4.667	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)C[C@H]1CC[C@H](CC)CC1	1909702542	BPVLVSMZGHLZMN-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](N)C1CCCCCCC1	1910742711	KAPRBTDSMVLXJT-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C[C@H]2C(C)(C)C)CCCC1	1910810662	ZBNKBQUOPRLOKS-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
N[C@@]1(CCC2CCCCC2)CCC2(CCCC2)C1	1916435889	GKKTWJVHIQOACH-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@H]1CCCC[C@@H]1CC	1920196149	GOUSTGIDFSZGRI-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)CC1CCCCCC1	1921567023	GYEHTNRHKPACTP-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@H](C)C1CCCC1	1924099308	RANIXEOFGWKXRV-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCNC[C@](C)(CCC(C)C)C1CCCCC1	1924115510	IUWPQELVEDRBBI-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
Clc1ccc(C[C@@H]2C=CCC2)c(Cl)c1	1932592231	HFEDAJXMIQNYGM-SECBINFHSA-N	227.134	4.502	0	10	BJAE	
CC(C)(C)CCC(=O)CC1(C)CCCCC1	1935605160	YRUFTMPZURULPF-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@H](CC)C(C)C	1936211506	XKRYXQYQXAHNNP-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)c1cscc1C	1938831242	VPUHPTCTTSSYIX-TZMCWYRMSA-N	239.428	4.519	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](O)C1CCCCCC1	1940871844	HLMXXIAEMFOZNX-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](CCCC1(C)CC1)NC	1940880572	BBTHHZRTUOMDRD-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)C[C@@H](C)C1CCCCC1	1941253411	VBTAPUKGTZNEKT-FVQBIDKESA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(C)c(NCCCCCC2CC2)c1	1941577301	NRRYBBREUWFPAM-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)CCCCCC1CC1	1944479439	BWILGSNIMATRAX-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CC1(C)C)C1CCCCC1	1944743326	CMVSHLYKLAAQGG-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CC1(CCNCCC2CCCC2)CCCCC1	1945419776	MFTZYKFMGBWFFE-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC[C@@H]2C(C)C)c1	1947460384	GDDXWCOCXWOKPI-HUUCEWRRSA-N	231.383	4.540	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H]1CC12CCCC2	1948103118	VVKKXAXJGZUDFL-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(CC2(C)CCC2)C1	1948972038	BXYRYOHSRKFZFU-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCCC[C@H]1C(C)C	1949047169	NXBIILSHADHIIC-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@@](C)(N)CC(C1CC1)C1CC1	1949064465	XQCRZXWTYXNAKS-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@H](CCC(C)C)CCC1(C)C	1949651685	BPEPYCONNOEVSA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCNCCC1CC(C)(C)C1	1949856572	CRWHMMFHAZZFKZ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](O)CC1CCCC1	1949868555	HGMIAQJXKDQXQU-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCC[C@@H](C)CC1	1950924677	NAMMBMXEZCPXTH-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
BrC=C1CCCCC12CCCCC2	1953797527	NJERQQPRSDFNJL-UHFFFAOYSA-N	243.188	4.790	0	10	BJAE	
C[C@H]1CCN(CCCCC2CC2)c2ccccc21	1963115985	BFLCHKGMNCMVTA-AWEZNQCLSA-N	243.394	4.581	0	10	BJAE	
C1=CCC2(CCCCC2)N(CC2CCCCC2)C1	1966510940	BXJSOABZPFGHQW-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CCC[C@@H](C)CN(C)Cc1ccc(C(C)C)cc1	1968377700	ROCKNTVJVOBTLT-OAHLLOKOSA-N	247.426	4.678	0	10	BJAE	
Cc1cccc(NC[C@@H]2CCCC3(CC3)C2)c1F	1969468903	SXUWWVJSACPEQM-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
Cc1cccc(C)c1-c1nc([C@@H]2C[C@@H]2C)cs1	1970804982	CSUYEMNHTSBFHN-NWDGAFQWSA-N	243.375	4.550	0	10	BJAE	
Cc1cc(C)cc(-c2nc([C@@H]3C[C@@H]3C)cs2)c1	1970823526	YXEDAQKYVDLCSB-WCQYABFASA-N	243.375	4.550	0	10	BJAE	
Cc1cc(C)cc(-c2nc([C@H]3C[C@H]3C)cs2)c1	1970823527	YXEDAQKYVDLCSB-YPMHNXCESA-N	243.375	4.550	0	10	BJAE	
C[C@@H]1CC[C@H](CNc2cccc(C3CCC3)c2)C1	1971535781	XCIRMBVBVMAWBA-KGLIPLIRSA-N	243.394	4.802	0	10	BJAE	
CCc1ccc(NC[C@H]2CCC3(CC3)C2)cc1C	1972019116	BMTMXTQNSYZTLM-AWEZNQCLSA-N	243.394	4.550	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@H]2CCCCC23CC3)C1	1972741596	FDLBZIZXBCPXIQ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCCCCC(=O)[C@@H]1C(C)=CCC[C@H]1C	1978510212	LWCQXWCODWKEST-UKRRQHHQSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CC(C)(C)CC1=O	1993757113	BMNLMTGBWOCTSM-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)c1ccsc1	1995259202	KZYJKMXMTNYFJI-JSGCOSHPSA-N	239.428	4.615	0	10	BJAE	
CCCCCCN[C@@H](C)C1CCC(C)(C)CC1	1996551411	CNOMRZSIRURGCM-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(N)(C[C@@H]1CCC=CCCC1)C(C)C	1999985680	LXQAJMVSXSAJDX-OAHLLOKOSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)C1=CCCCCC1	2000333194	NDRMDMKSCYTSPC-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C1CC(C)(C)C1	2000505989	WWFGEJBVLSWNNL-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)CC1=CCCC1	2000518534	PKIJKLQYQXXUMI-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CC1(C)CC1)NCC	2002517135	VYBRKQJOSSFBED-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)[C@]1(C)CCCCC1(F)F	2002582380	KOYRLFLPEOTEBA-ZDUSSCGKSA-N	246.341	4.742	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@H]1CC[C@H](C)CC1	2003067501	ULENTLQGASUGND-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CNC1CCCCCCCC1)C(C)C	2003101110	SVQMXPCFXNBZKK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CCC1(O)CCCCCCCC1)C(F)F	2003111843	PGTHOSVNABEUNR-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)[C@@H](C)CC(C)C	2004705649	IZSPTUMEANVHKS-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CN)CCCC12CC2	2005602551	SPCFXFYUACJFKC-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)C1(C)CCC(C)CC1	2007692954	QNSAQFFRUJEKOQ-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](CCC1(C)CC1)NCC	2009543462	GSKYQLNYPFDGEU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCC[C@@H](N)C1(C)CCC(C)(C)CC1	2009634425	GMXFUMUZKZVVLY-VBROQKIQSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C[C@H](N)CCC[C@H]1C[C@H]1C)C(C)(C)C	2011584491	SPDSCMOVPAFHRG-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](CCC(C)C)NCCC(C)(C)C1CC1	2013264838	QGONLEYYPWALJH-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@H]1CC12CCC2	2015508479	HKJPZYQKGWBRIX-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](N)C(C)(C)C2CCC2)CCC1	2015639756	KCOXOJXBEDPDGR-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CC(O)(CC2(C(C)(C)C)CCC2)C1	2017119578	TXKRDKQTAVHQIS-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@]1(CC2(C(C)C)CCC2)CCCCCN1	2017140932	LPFLFABXCYVXBW-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(C[C@]2(O)CCC[C@@H]2CC)CC1	2017649499	WMHAQMHQHNYDAF-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2CC2(C)C)CC1	2017654148	AVPRPBXXNUUQNO-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C[C@H]2CCCC[C@@]2(C)O)CC1	2017712604	PZOZKXVEMSTVCW-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CC(C)(C)C[C@H](C)O)CC1	2017714625	HMKCZZHUKCICQN-NFOMZHRRSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)CCC2CCCC2)CC1	2017728770	OXCJWOQFQMBLKA-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](c2nc(C3(C)CC3)cs2)C1	2018310578	RZIDRBGZJRGYNG-NSHDSACASA-N	249.423	4.878	0	10	BJAE	
CCCCN([C@@H](C)CC)[C@H]1C=CCCCCC1	2019118280	TWPWVJDHNLUOBR-HOTGVXAUSA-N	237.431	4.776	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)[C@H]1C=CCCCCC1	2019120824	BGJCNAMZIYNTEH-CABCVRRESA-N	237.431	4.632	0	10	BJAE	
CCCN(C1CCCCC1)[C@@H]1CCC[C@H](C)C1	2020535195	CPPKFXXURYODCI-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCc1cc(-c2cc(C)ccc2Cl)ccc1O	2020687556	HAGQPMMWHUHVSM-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
CCCCCCN[C@H]1C[C@@H]1C1CCCCCC1	2022440126	MLFBXMQSJGOLNJ-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C[C@@H](C)CC(C)(C)C	2022557019	KOYYYNIKRWWZGU-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CCCCN(CCCC)C[C@H]1C[C@H]1C(C)(C)C	2022621681	XULFREJTAOSYIT-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(F)cc1CC	2023445218	BGRANVCFVGUFEV-AWEZNQCLSA-N	237.362	4.769	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)c2cc(C)c(C)s2)C1	2023991377	MLKARTAFNZRNIL-NOZJJQNGSA-N	248.391	4.540	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)CCC2(C)CC2)C1	2024101883	NWXOCDYXCWLHKD-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@H](C(C)C)C1	2025574015	COLHHHMVGSCFPB-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CC1=CCCC1)NC	2026166609	LBDALOGBGZHYSI-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
Cc1oc(C)c(C(=O)CC2(C)CCCCC2)c1C	2027296120	KDIOTXIYCJIKQW-UHFFFAOYSA-N	248.366	4.748	0	10	BJAE	
CC1(C[C@H]2CCC[C@H]2CNC2CC2)CCCCC1	2027312545	WSZSZBJPMRSEIT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1Nc1ccc(C2CC2)cc1	2035415706	ONVAUDHSFREQLO-IRXDYDNUSA-N	243.394	4.801	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@H]1C=CCCC1	2035575014	CTQDGLNAHSYKSN-YOEHRIQHSA-N	244.378	4.590	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@@H]1C[C@@H]1C=CCC1	2035590311	KBHHNQQWOKEBDX-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@@H](C)CCC(C)C)cc1C	2037207103	MWMFICHPEUOVLK-SJCJKPOMSA-N	247.426	4.684	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1ccc(CC(C)C)cc1	2037215420	KBRTXSBKFWVPDM-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
CC(C)(C)NCCC=C[C@@H]1CCC2(CCCC2)C1	2037695707	UHVWXIFVSMNMQU-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
C1CCC(CC[C@H]2CCCC[C@]23CCNC3)CC1	2038643267	AROZUSOYBICVOB-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H]2C=CCCCC2)CC1	2039031268	CYUTVNSIEFJXGU-BRWVUGGUSA-N	249.442	4.680	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@@H]1CC[C@@H](C)C1	2040173041	QLDXXZXZKWNPSX-CKEIUWERSA-N	246.394	4.670	0	10	BJAE	
CCCC(C)(C)C(=O)c1cccc2ccccc12	2040721032	HZOKXOUIDKYJJA-UHFFFAOYSA-N	240.346	4.849	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@@H]2CCC23CCCC3)CC1	2041381397	ZRXKSKSKTSULBJ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1([C@H]2CCC[C@@H](CC)C2)CC=CCC1	2042088868	JTUOJJGWYVHAGL-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@H]2CCC=CCCC2)C1	2045306748	BVHQJOMRSQEZKU-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@H]1CCC2(CC2)C1	2045307529	LLZXXWZQRRJXLY-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC2CCC3(CCCC3)CC2)C1	2045659542	DFFPRUPTFXRSCM-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H]2CCCCCC[C@H]21)C1CCC1	2047436772	GYYHOQFJBZALRK-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
CC1(NC[C@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2048449593	IHZXBVCOCFAXKY-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CCC([C@@](C)(N)C[C@@H]2C=CCC2)CC1	2049415650	RKYDLKZLOCCKTN-VXLLPVPCSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@H]1CCCC(C)(C)C1	2049499881	YFPJNKZPBMYGIO-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]1[C@@H](N)CC1CCC2(CC1)CC2	2049849390	PYSADWBTBCYUEW-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CC[C@H]1CC(C)(C)CC[C@@H]1CNC1CC1	2051408610	MCTPNXPDHBLNAE-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@H]1C=CCC[C@H]1C)[C@H]1CCCC(C)(C)C1	2055581437	ZNDKJQGIUYQJBS-UGUYLWEFSA-N	249.442	4.536	0	10	BJAE	
C1CCC(CCNCC2(C3CC3)CCCC2)CC1	2057604768	VXKMPHZUSMETJW-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCc1cc(C(F)(F)F)cc(C(F)F)c1C	2060350486	BLIHURCVQQKDPO-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)CC2=CCCCC2)CC1	2061087694	HOQYFUNGCGTWJW-WBVHZDCISA-N	247.426	4.587	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)C1CC(=C2CC2)C1	2061651011	RXZYNVNXTSVTGT-DYVFJYSZSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CCC(N)(CC2CC(=C3CC3)C2)CC1	2061672194	OXULBBOQAKAVFZ-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCCCC23CC3)c1C	2062017470	OVQLGEZMJBGEJR-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
C[C@@H]1C[C@H]1CCCOc1cccc2ccccc12	2062620899	QTYXTZBPLABJHH-UKRRQHHQSA-N	240.346	4.655	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2CC3(C2)CC(C)(C)C3)C(=O)C1	2063209251	SUQNHXAIODTQFN-OCCSQVGLSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC(C(=O)CC2C[C@H]3CCC[C@@H]3C2)C1	2063420774	VKTQYRKJLYSJNJ-LXTOLFJKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC23CCC(CC2)C3)CC1	2065274666	KVIURKPNDDBFNC-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
O=C(CC12CCC(CC1)CC2)C1CCCCCC1	2065279079	GACXYYFXYBTPCG-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)C[C@H]1CCCC2(CC2)C1	2068270592	AFDUMVAGJWHUAB-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@](C)(O)C[C@H](C)C(C)C)cc1	2068817323	FXILPTQNIAJVBJ-WMLDXEAASA-N	248.410	4.700	0	10	BJAE	
CCC1CCC(C[C@@](N)(C2CCC2)C2CC2)CC1	2072804086	OSAQNSDSKGHJJA-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CC[C@]23CC[C@H](C)CC3)C1	2074893270	SOKFMERGAHJUDR-VQHPVUNQSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CCC3=C(CCCC3)C2)C1	2074896982	SLCWUJTWZMDVRW-WMLDXEAASA-N	247.426	4.532	0	10	BJAE	
CCCCc1ccc([C@H]2CC[C@@H](C)C(=O)C2)cc1	2077923308	KWHRLDIYCPMSKJ-CJNGLKHVSA-N	244.378	4.502	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2C[C@H]2C2CC2)CCCC1	2079328794	NVHFHOJHJOQYJF-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H]1C[C@H]1C1CCCC1	2079491680	KTYCDGOJZUROIN-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
NC1(C[C@@H]2C[C@@H]2C2CCCCCC2)CCCCC1	2079660301	LEMZNLLOEFXYRN-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCNCC(=C[C@H]1C[C@H]1C1CCCCCC1)CC	2079665640	MKSWSWWNTIGLKI-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2C[C@H]2C2CCCCCC2)N1	2079670002	KHGTYYWSWBMBES-DZUCGIPZSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCCC1CC1)[C@@H]1C[C@@H]1C1CCCCCC1	2079820704	RRSGMFRUOMWMHR-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
C1=C[C@H](CC[C@@H]2C[C@@H]3COC[C@@H](C3)C2)CCCC1	2085906479	SDVOAMALOUPYKX-NXOAAHMSSA-N	248.410	4.576	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1cc(C)cc(C)c1	2086044185	LQNLLXLKBKSVGV-DYVFJYSZSA-N	248.410	4.943	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C(C)(C)CCC	2212118509	FNFQUDRQMHBOQN-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(CC2CC(=C3CC3)C2)cc(C)c1Cl	2212878371	DEWURHQRIJSHRJ-UHFFFAOYSA-N	246.781	5.000	0	10	BJAE	
CCCCCCC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2213271711	VKTYNBKCFAIUJV-QDMKHBRRSA-N	236.399	4.742	0	10	BJAE	
O[C@H](CCCCCCC1CC1)C1CCCCC1	2213579296	DKMCJFLRQAUSQG-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
Cc1csc(C(=O)CC23CCC(CC2)C3)c1C	2213649794	GPJLJIGDRRYGSR-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
Cc1sc([C@@H](N)C2=CCCCCC2)c(C)c1C	2215538345	KPIPSQNPOFPBFP-AWEZNQCLSA-N	249.423	4.564	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1	2215808935	YVZOPPKKBSYXCW-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](C(C)(C)CC)[C@@]1(C)CC=C(C)CC1	2215819907	ZPDGQNNPSZFDPH-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCCC2CCC2)CC1	2215820070	AMNLMHYNHPRFFK-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(CCC2CCC2)C1	2216258420	PPWGUEWNPBBMEJ-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](N)CC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216764065	QONRHDRNOPQCBX-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCCCC1(CN[C@@H](C)CC)CC2(CCC2)C1	2217157674	UVNCTNPPABWCNZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1(CNC2CC(CC3CC3)C2)CCCCCC1	2218478051	JWINBKNWPGPAGE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
N[C@H](C[C@@H]1CCC2(CCCC2)C1)C1CCCCC1	2220300805	GTAUYUJSOGEZEG-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccnc(C(C)C)c1	2220887258	GHNPSKSAHXITQJ-CQSZACIVSA-N	248.414	4.976	0	10	BJAE	
CCCc1ccccc1C(=O)CC[C@@H]1C[C@H]1CC	2220958743	ITANICWBYZKOMV-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ncccc1C1CC1	2221379681	XLEKVULBODGFMC-CYBMUJFWSA-N	246.398	4.730	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)CCC(C)(C)C	2243067475	RKZOXDXJVOGZPW-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cc(C)ccc1Cl	2244774688	IBPVWGLYGJLCPJ-SMDDNHRTSA-N	240.774	4.508	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccc2ccsc2c1	2246164927	NKSBJUZXZYWCNL-JTQLQIEISA-N	232.348	4.520	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)C2CC(C)(C)C2)C1	2246662931	JBNIZIXNFSJZCW-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@H](CC[C@@H]1CCC[C@@H](C)C1)NC	2246725016	GMTLSPZKXKOLHT-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CCCC[C@H]1C[C@@H]1C)CNC	2247166093	SSKMVEJEAOEFDG-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](C(=O)CC1=CCCCC1)C1CCCCC1	2247500675	IGLZMUMUIJQARA-CYBMUJFWSA-N	234.383	4.662	0	10	BJAE	
CC(C)CCC[C@@H](O)CC[C@H]1CCCC12CC2	2247666353	SFVNNQBOAMMDGD-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)[C@@H]1CC12CCC2	2248296891	VPFQWHACMLOSKY-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@H](CCCCC[C@H]1C[C@@H]1C)NC	2248823351	UTSHOPHTXLDESP-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)NCCCCC[C@H]1C[C@H]1C	2248865920	MKQCZRUQEKEMAH-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCC(C)(C)C1	2248877785	HJJLWIHVGGXRIM-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C(F)F)[C@H](C)CC	2250108079	NZMGJHZKJSELCE-UPJWGTAASA-N	249.389	4.615	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H](C)C1CCCCC1	2250362728	WXLUMXWULAFQMG-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H]1C)[C@@H](CC)CCC	2250367224	OQQZCKXZWMDSCO-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@@H]1CC[C@@H]1C	2250522324	GPAOJVNTSNIFLQ-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@H](CCC1CC(C)C1)NC	2251755648	SDBLRHPZJHYXSK-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@H]2CCc3cccc(C)c3N2)CC1	2253874939	PGOWENCDEKRLME-HNNXBMFYSA-N	243.394	4.692	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(N)CC(CC3CC3)C2)C1	2253994407	DVCOCBIDESPTSY-QBBMROGASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@](C)(O)c1ccccc1	2254546418	XBSCYYVANPQHJL-BFYDXBDKSA-N	246.394	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CC[C@@H]2CCCC[C@@H]21	2254603765	DLHVQTHLRIGKAG-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
Cc1oc(C)c(C(=O)CCCC[C@@H]2C[C@@H]2C)c1C	2254607038	HEUPGXXQSAVQJX-IINYFYTJSA-N	248.366	4.604	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNC2CCC2)CCC12CCC2	2254852192	BKYFXAORDKKTIC-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2CCC23CCC3)cc1	2254969718	VEELBYBSAQYFLM-OAHLLOKOSA-N	243.394	4.802	0	10	BJAE	
Cc1cc2ccccc2n1C[C@H]1CCC12CCC2	2254975528	KKRQDRGFNNACAS-OAHLLOKOSA-N	239.362	4.530	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)CC2=CCCCC2)C1(C)C	2255061723	DTFVSXHSBKFEKP-CXAGYDPISA-N	248.410	4.908	0	10	BJAE	
CCC1CC(C[C@H](N)CC[C@@H]2CCCC23CC3)C1	2255275462	JKMPVVRONRWEMZ-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C[C@@H]1C[C@H]2C[C@H]2C1	2257304416	RCFAYXGBKMVYNP-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1)[C@@H](CC)CCC	2259441017	BOXFADDAOYNGDK-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1C[C@H]1c1ccccc1	2259445223	ADYQKVMNCXMHHO-BPUTZDHNSA-N	244.378	4.576	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)[C@@]12CCCC[C@@H]1CC2	2260505259	GXNNEGVAKHFXSX-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@](C)(N)c1cccc(C2CCCC2)c1	2260666172	BLHYFVXPUNBRAG-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
CCN[C@H](CCC1CC(C)C1)CC1=CCCCC1	2261487991	BEAFFVKKMVOVSN-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H](C)CC1CCC1	2298852292	RQQYJMXQPLEEHT-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@H](C)CC2CC2)CC1	2298883908	MIUMGDNJXURMQS-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCNC[C@]1(CCC(CC)CC)CC=CCC1	2300678534	LIMQZLYAKNVLLF-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCc1nc(-c2ccccc2C)sc1CC	2301282024	WPTPDNRTRMEYIH-UHFFFAOYSA-N	245.391	4.633	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@H](C)[C@@H](C)C(C)C)C1	2301700770	JQXKQMAZRWXIQP-JJXSEGSLSA-N	239.447	4.568	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@H](C)[C@@H](C)C(C)C	2301962001	PMQKNSISJLOWPB-GJZGRUSLSA-N	239.447	4.639	0	10	BJAE	
CCN(c1cccc(C)c1)[C@H](C)[C@@H](C)C(C)C	2301968784	UAMTZFCIPXOBFV-LSDHHAIUSA-N	233.399	4.502	0	10	BJAE	
NCC1(CCCC2=CCCCC2)CCCCC1	2302353291	DJHNKSWETOGCOJ-UHFFFAOYSA-N	235.415	4.566	0	10	BJAE	
CC1=C(C)C[C@H](NC2CCCCCCC2)CC1	2303458836	LAYGPCDUGYTPGE-MRXNPFEDSA-N	235.415	4.578	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@@H]1CCC(C)=C(C)C1	2303530871	FDESUSVEJBJNTG-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](C)C(=O)c1cc(C)ccc1C(C)C	2307502899	HRAWUZRVSHTFIH-CYBMUJFWSA-N	232.367	4.737	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC[C@@H](C)C2)c1F	2307559029	IUVOLKSPAZVTLD-NEPJUHHUSA-N	235.346	4.550	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(CNC1CC1)C(C)C	2307830557	CWXXXJJKROHLBH-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1CCC(CC)CC1	2307832089	QGNOPRHQYGEMBA-GYTBAZASSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)CCC)[C@H]1C[C@@H]1CC	2307893760	JMBOFAXSZNKXGB-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(=O)C[C@@H]1CCC[C@H]1C)c1ccccc1	2308254592	AXTOIWYJNUNIDQ-VNQPRFMTSA-N	244.378	4.576	0	10	BJAE	
C/C=C/CCC[C@@H](N)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2310192481	ZYQMXAUABGCOKO-HPGPLEMRSA-N	249.442	4.667	0	10	BJAE	
CCN(C1CCCCC1)C(CC1CC1)CC1CC1	2313601663	ZZHWSTDLBCJUDK-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@H](C)c1ccccc1	2315912155	YAPONBLIYHEDRL-DOTOQJQBSA-N	248.410	4.758	0	10	BJAE	
Cc1cc(C)c2c(c1)N[C@@](C)(CCCC(C)C)O2	2315919314	WELMLQRQKITVPM-MRXNPFEDSA-N	247.382	4.650	0	10	BJAE	
CCCC1(C[C@H](CCC2=CCCCC2)NC)CC1	2317978997	GKGLTJRULKLZKO-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CCCC12CCC2	2318536223	DDHIGWFCANIQOZ-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1CCC[C@@H]2C[C@@H]21	2318589650	SSKANUWYZAFUAI-OAGGEKHMSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC[C@@H](C[C@]2(C3CC3)CCCCCN2)C1	2319030695	OTFPGGNAAWUAQT-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC(=O)[C@H](C)C[C@H](c1ccccc1)C1CCCC1	2319671292	XPPOEVLUWGGFLW-CXAGYDPISA-N	244.378	4.576	0	10	BJAE	
C[C@](N)(CC[C@H]1CC[C@@H]1C1CC1)CC1CCCC1	2319740313	KQXDRPLVLKAJNP-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H]1CC[C@H]1C(C)(C)C)c1ccc(N)cc1	2320242219	AQBAOHQREPTSHD-XNRPHZJLSA-N	245.410	4.835	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@H](N)[C@@]1(C)CC=CCC1	2320244186	QNZNANAHAPWGEP-IVSAIRAKSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](CC2(CNC(C)C)CCC2)CC1	2320326926	IVILHVPCSAOFEN-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)C2(C(C)C)CCC2)CC1	2320413336	RZWRNDLBWOLYOD-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@](N)(CC1CC1)C1CC1	2320629665	WEIBJPOIQKESEZ-FRFSOERESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)c1cccc(C2CCC2)c1	2320659009	VSYZIGFQKOZNLX-OCCSQVGLSA-N	242.362	4.573	0	10	BJAE	
CCCCN(C1CCCC1)[C@@H](CC1CC1)C1CC1	2320776933	STSQWWRTRNIAPK-KRWDZBQOSA-N	249.442	4.610	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cc(C)ccc1C(C)C	2327677029	DLZHRVZXFYFYNU-YOEHRIQHSA-N	248.410	4.978	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccccc1C(C)C	19993713	VRZCYUWQFPETOU-QWHCGFSZSA-N	219.372	4.657	0	10	BJAE	
CC(C)Oc1ccc(NC2CCCCCC2)cc1	20472979	QSTWGFZOTLBTCN-UHFFFAOYSA-N	247.382	4.609	0	10	BJAE	
CC(C)(C)C1CCC(Nc2ccccc2F)CC1	21805568	IUCCDMIOEAEQOK-UHFFFAOYSA-N	249.373	4.843	0	10	BJAE	
CCC(CC)N[C@@H](CC)c1cccc(Cl)c1	22146404	CCPVZZNXUHGNGT-AWEZNQCLSA-N	239.790	4.569	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1ccc(C(C)C)cc1	36819969	BGYFOYMSAPYTHZ-CZUORRHYSA-N	233.399	4.507	0	10	BJAE	
CCCN[C@H](c1ccc(C(C)C)cc1)[C@H]1C[C@@H]1C	36820180	BIZRLGRHKWNEJK-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1ccc(Cl)s1	40257908	FWABUWPRWGOWSO-CABZTGNLSA-N	246.803	4.651	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@](O)(CC)c2ccccc2)C1	71153398	KNPZAURHSGFICJ-USXIJHARSA-N	246.394	4.501	0	10	BJAE	
CC(C)c1c(C=O)oc2c1ccc1ccccc12	77072162	SZUXOPUHODRFAG-UHFFFAOYSA-N	238.286	4.522	0	10	BJAE	
Fc1cccc(Cl)c1-c1cccc(Cl)c1	79186680	IZMKDXKPNRPRDO-UHFFFAOYSA-N	241.092	4.800	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccc(C(C)C)cc2)C1	80426525	LBWVQFYFRSQUEN-CJNGLKHVSA-N	231.383	4.801	0	10	BJAE	
CC[C@@H]1CCC[C@H](Oc2ccc(Cl)cc2)C1	85150272	AGUBXDZYMSZYRD-RISCZKNCSA-N	238.758	4.688	0	10	BJAE	
Cc1cccc(Cl)c1-c1ccccc1Cl	85389072	NUVDLJNZKDBALF-UHFFFAOYSA-N	237.129	4.969	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)CCC(C)C)CC1	86894467	XWYYZJOLBCMANH-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CC2CCCC2)CC1	86939192	FYKACYKXPSBULS-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@@H](NCC)C1CCCCCC1	87947683	XVIKUNKXGGOSIX-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCCC[C@@H](C)Nc1snc2ccccc12	90869082	IEDCVHQPTTUMHH-LLVKDONJSA-N	248.395	4.677	0	10	BJAE	
CCC(CC)[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1	94676194	LCXWWAQAFWTQTP-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O	103989514	SAFVWWCWUNTJPO-IHRRRGAJSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)Cc1ccccc1C	109713378	LEEHLGSZEKWRHR-NVXWUHKLSA-N	248.410	4.505	0	10	BJAE	
CCCCC[C@@H](CNC(C)(C)C)C1CCCC1	128313206	DHPZFMDWFQLYDV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)cc([C@H](C)NCCCCC(C)C)c1	132677540	BNISAOSRHWRXLB-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@H](C)c2ccccc2)CC1	159806377	DTYJUUNDKXAHJX-VYDXJSESSA-N	245.410	4.696	0	10	BJAE	
Cc1cc(C=O)ccc1-c1ccc2ccccc2c1	161620040	NGBJAGJCYCQREX-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)c1cccc(C)c1C	162079463	SDRRFXGTSAWYQQ-SUMWQHHRSA-N	247.426	4.780	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2CCCCCC2)C1	166243240	XEZNGVSXAXTKJW-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)c1cccc(C)c1C	166916924	RMOYEUIGHWKABL-BHYGNILZSA-N	245.410	4.520	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1NC[C@@H]1CC=CCC1	223853593	RXOWIAXXJPVUPL-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CCC)NCCCc1ccccc1	225998593	JTECKZPMJKLLNE-KRWDZBQOSA-N	247.426	4.568	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1CCCC1(C)C	226818935	RQHIBRCHEASOKI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCCc1ccc(N[C@@H](C)CC2CC2)cc1	229671756	YMJXIGFUGQVNDD-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)C2(C)CCCCC2)C1	233920866	PSXQACTVCXEQCQ-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
Cc1ccc2c(c1)[C@@H]([C@@H](C)C1CCCCC1)CN2	235083670	QGWCWQZFWNCPKT-XJKSGUPXSA-N	243.394	4.721	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](CC)CC[C@H]1NCC	251300747	IYXZHZBPFDBHTQ-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H]1C[C@@H](CCC)CC[C@H]1CNCC	251399762	VMFFNMSWSRPOCQ-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CNC/C(=C\[C@@H]1CCC[C@H](C)C1)C1CCCCC1	252661983	SKUQORXFEMYKHN-YGCPDCGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2=CCCCCCC2)C1	300129329	CJGQRMPGOGLWJG-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
CCC1CCC(n2ccc3c(F)cccc32)CC1	301708657	KBMVQVNCSDBJEB-UHFFFAOYSA-N	245.341	4.922	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)[C@@H](C)C(C)C	302238460	BYVXVVJBDXNBTO-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)CCCC(C)(C)C)c(F)c1	304163640	YQCJSYKTMABPPH-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)CCC(C)C	304417386	QOPLGEXXZUQZIG-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C1CCC(C)(C)CC1	305913931	JLXFHHLNQANLAT-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](N[C@H](CC)C1CCCCC1)C1CC1	306073853	XZVYWRFNNSCWLM-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)CCC3(C)C	307984625	KYIQCXAIGKIXOL-UHFFFAOYSA-N	227.351	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC1CCCCC1	308068710	ZPKXFPLZYCKBME-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@@H](C)CC(C)C	310085683	AKLLKCRWWYMZLW-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCC1(C)CCCCC1	310313564	VREHVDCEOINDED-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@H](C)[C@@H](C)c1ccccc1C(C)C	310978340	SPJXYUOMLHZBPM-LSDHHAIUSA-N	247.426	4.549	0	10	BJAE	
CCC[C@@H](N[C@H](C)C(CC)CC)C1CCCC1	313411813	PIYIMFMKNPMFQT-CZUORRHYSA-N	239.447	4.760	0	10	BJAE	
CC(=O)c1cccc(-c2cc(C)ccc2Cl)c1	313424046	HARXHFPTZCTMHI-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)CC)CCC[C@H](C)C1	317560538	MAEIZAPLHRPHGZ-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@]1(CNC(C)C)CCC[C@H]1C	317662107	VUWSTOAKMZVHIQ-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC(C)(C)C)CCC[C@H]1C	318195371	BAZXJOOHHNNNII-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@@H](C)[C@H](C)CC)CC1	319663178	QBHBWFAPOLDGAO-QKPAOTATSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCC)CC/C=C/c1ccccc1	324274683	LULJLZXAKSMMPR-YJJOXIQCSA-N	245.410	4.648	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)c1cc(C)cs1	379065517	RDQMIWFIMDWQRP-DGCLKSJQSA-N	239.428	4.533	0	10	BJAE	
CC(C)C[C@H](C)CNc1cccc2ccccc12	384466852	FMRPISNZHRKPFB-AWEZNQCLSA-N	241.378	4.934	0	10	BJAE	
CCc1ccsc1[C@@H](N)CCC1=CCCCC1	385816984	RAVINPHKNSRJGK-AWEZNQCLSA-N	249.423	4.591	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1ccc2sccc2c1	386643893	OWBPPRDDBMTLEB-XHDPSFHLSA-N	248.391	4.617	0	10	BJAE	
Cc1ccc(OCCCCCC(C)C)cc1	394840339	YRAPBRMNBSKJFH-UHFFFAOYSA-N	220.356	4.590	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H](C)C(C)(C)C	399165443	JYPWWCUAECYDGD-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@]1(C[C@H]2CC=CCC2)CCCC[C@@H]1C	402266226	SWLMBLATSFMWCH-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc([C@H](N)CCC(C)(C)C2CC2)cc1C	405767720	YOVPYCIMMNUFPF-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
FC(F)c1cc(Cl)c(Cl)cc1C(F)F	575678950	YBWXUOGUIRCQQE-UHFFFAOYSA-N	247.018	4.869	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1(C(C)C)CCC1	686928571	FXQWLFKWPWFUFE-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
O=C(CCCC1CCC1)C(C1CCC1)C1CCC1	688846727	IPBBNUZGLGTUJM-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCSc1cccc(N[C@H](CC)[C@@H]2C[C@@H]2C)c1	689683687	DNUUYRQQBNILMU-NILFDRSVSA-N	249.423	4.645	0	10	BJAE	
CCSc1cccc(NC2CCCCC2)c1	689694238	HCQMFKKKGKYGJG-UHFFFAOYSA-N	235.396	4.543	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCC[C@@H]1C(C)C	696678294	NEZYLCCBURGWOC-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccccc1C(C)C	697261215	LCGADTDTABFEIA-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
N[C@@]1(CC2CCC2)CCCC[C@H]1C1CCCCC1	703894058	SZWXQDRLBYAPHW-DLBZAZTESA-N	249.442	4.645	0	10	BJAE	
CC[C@@](N)(CCC1CCCCC1)C(C)(C)C	704921546	LQTXHAYQPGRIDN-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H](C)CC(C)(C)C	708285690	JNPRVGRQEZYFQG-CABCVRRESA-N	241.463	4.993	0	10	BJAE	
CCCC(CCC)N[C@H](C)[C@]12CCCC[C@H]1C2	708874530	JFDILHSQKAQAPU-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@H](C)[C@H](C)C[C@@H](C)CC(C)(C)C	709085485	XMBXQMSDSGWQNZ-KFWWJZLASA-N	241.463	4.721	0	10	BJAE	
C[C@H](CC(=O)C1C(C)(C)C1(C)C)CC(C)(C)C	709107871	ZHYWIORQPSOBQX-LLVKDONJSA-N	238.415	4.700	0	10	BJAE	
C[C@H](C[C@@H](CN)C1CCCCC1)CC(C)(C)C	709244899	RHLWQIZTPREMIR-HIFRSBDPSA-N	239.447	4.604	0	10	BJAE	
CCCCCCN[C@H](C1CCCC1)C1CCC1	711833461	QVEANSCEXSCOAU-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@@H]3CCCC[C@@H]32)c1Cl	712504034	QFPIZTCJBZTERO-OBJOEFQTSA-N	249.785	4.639	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC(C)(C)CC	713342773	SFGAIIKTTDSNMG-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CCC1	714476253	QUASVHIWWSNLKX-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1(C2CCCC2)CCC=CCCC1	719018684	PNULAHPXONZJFV-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC)CCC=CCCC1	719055927	IZXOUMAZQXMASE-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@]1(O)CC[C@H]2CCCC[C@H]2C1	723644129	BNSRKCHKDLGNCN-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(SC[C@H]2CCC[C@@H](C)C2)cc1	1188316767	FNZWVKGSDZVBDJ-KGLIPLIRSA-N	234.408	4.913	0	10	BJAE	
CC(C)=CCC/C(C)=C/C[C@H](C)/C(C)=C/CO	1535405663	STLRNDLGNUYBKN-NKJOLOOHSA-N	236.399	4.644	0	10	BJAE	
CC1(CSc2ccc(F)c(Cl)c2)CCC1	1640758853	FJWYEJSTYXVJCO-UHFFFAOYSA-N	244.762	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(C)=CCCNC(C)C)C1	1876996363	BTPAYZIGGZHQLJ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCNCCC=C(C)[C@@H]1CCC[C@@H](CC)C1	1876996406	FCFDJCWQBPAEBD-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)CC[C@H](N)C1(C)CCCCC1	1900696747	MHAKMFVMWFWWDI-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CCC(=O)CCC[C@@H]1C[C@H]1C	1902185539	OQADWTGMTQIXGJ-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@](C)(O)CC[C@H]1CCC(C)(C)C1	1903381704	BUTQXJCATFNYJV-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H]1C[C@H]1C(C)(C)C	1910747086	GFWLINXURLWVJA-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H]1C[C@H]1C(C)C	1910867862	ZQFKQFLYQIGCKP-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(=CC1(C)CCCCCC1)CNC1CC1	1912064397	BDEQQPGZXIEGQQ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H]1CCCCC1(C)C	1912130862	JGCBYRWQLRYEOB-HOTGVXAUSA-N	249.442	4.703	0	10	BJAE	
CCCNC[C@]1(CC2(C)CCCC2)C=CCCC1	1916570179	XOFBBGXBGRXBPI-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCc1ccc([C@@](O)(CC)CCCC(C)C)cc1	1919610257	FMNYXWJLTDHGPB-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CCCC1CC([C@H](C[C@@H]2CC=CCC2)NCC)C1	1921320607	OHHWTZSUGVTCBB-VXLLPVPCSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C(=O)CCC[C@H]1CC1(C)C)C1CCCC1	1924131132	RUWMGBXFJHDVRE-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC=C1[C@H](CN)CCCC12CCC2	1924889457	DNAIJYCBZYWCKA-AWEZNQCLSA-N	249.442	4.668	0	10	BJAE	
CC(C)(CNC(C)(C)C)C[C@H]1C=CCCCC1	1925753173	NVSJIIGUTLNRJI-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C[C@@H]1C=CCCCC1)NCCC	1925914386	BUBAEHNTVYYMSZ-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CC(=O)CCC=Cc1ccccc1	1926151914	HTIJJSGMRLTLLY-UHFFFAOYSA-N	244.378	4.875	0	10	BJAE	
CCCN[C@H](CCCC(F)F)CC(CC)CC	1926159483	LMGIXWLFRCEZKF-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
Cc1cscc1N[C@@H](C)[C@H](C)CC(C)C	1933235293	FWOYARFZMLEUNE-PWSUYJOCSA-N	225.401	4.539	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCCC1(C)CC1	1935941805	XRRWEXWEECTORK-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](O)CCCCCC1CC1	1936409982	HUFOFUSNHZPFHR-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CNC1CCCCCCCCC1	1938723343	YNTOYAYAMHVDRZ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)c2ccsc2)CC1	1939899304	KHWXQWNUXYZIMX-NSHDSACASA-N	236.380	4.537	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCCC1)[C@@H](C)CC	1940408911	NNFBIZCLDSNZDD-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](O)(CCC[C@H]1CC1(C)C)C1CCC1	1940874296	FWLQZJUMLZYYTE-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H](CC)C(C)C	1941268777	JJZRZZOLHGSDSN-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@@H](CCCCCC1CC1)[C@H](C)CC	1941587480	SVUCOIRLGPREAP-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@@]2(CN)CCCC2(C)C)CCCCC1	1944481970	YUBVOMQHQCVUSE-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCC(C)(CC)CNC1CCC2(CCC2)CC1	1944602854	WJWXFOGIAZBWLF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](C)(O)c1cccc2sccc12	1945956293	FPDUJMHDDYDOMG-HNNXBMFYSA-N	248.391	4.689	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CC12CCCC2	1948071985	OPVKNNWIWSHGJM-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CCC)CCC(C)(C)CC(F)F	1948849174	QXNIVYBWQZDKPR-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
C[C@@H](C[C@](C)(N)CC1CCCCC1)C1CCC1	1949037365	LACAOTZSVAPICZ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@@H]1CCC(C)(C)C1	1949432146	ILCDMQFNJXWUHJ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CC(NC2C[C@@H]3CCCC[C@H]3C2)C1	1965988405	OELIECOBNOQSHK-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CC[C@H]3C[C@@H]3CC2)CC1	1966011746	KKWJGCMNYBKUCO-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(NCc2cscc2F)cc1	1968295666	VZIAVNREGIVOPA-UHFFFAOYSA-N	249.354	4.623	0	10	BJAE	
Cc1cc(NCC2C[C@H](C)C[C@@H](C)C2)ccc1F	1968592221	UDSMPPQHIRTIPI-VXGBXAGGSA-N	249.373	4.618	0	10	BJAE	
Cc1c(F)cccc1N[C@@H](C)C1CC2(CCC2)C1	1968647471	FBMAZVFUMUOFDQ-LBPRGKRZSA-N	247.357	4.515	0	10	BJAE	
c1sc(C2CCCC2)nc1C1CCCCC1	1968708252	VQXUYGUBNAKRPB-UHFFFAOYSA-N	235.396	4.848	0	10	BJAE	
CC1CCC(CNC2CC3(CCCCC3)C2)CC1	1969004670	DCNXGNOEOUZRAP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NC[C@@H]1CCCC(C)(C)C1)c1ccco1	1970087616	YNPZXFRCFVUFJI-KGLIPLIRSA-N	249.398	4.537	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCC(C)(C)CCC1=O	1984461450	DTNAIGNUUNANGB-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCCC(=O)C1CCCCCCC1	1984591759	SVDRUCZIKSLTEF-NSCUHMNNSA-N	222.372	4.662	0	10	BJAE	
C=C=CCCC[C@H]1CCC[C@@H](C(F)(F)F)C1	1985447550	LUQWGUCEPRVZQC-NWDGAFQWSA-N	232.289	4.867	0	10	BJAE	
CCCCC[C@@](O)(CC)C1=CCCCCC1	1990090312	AJIQLGIOSAKPGT-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@H]1CC12CCCCC2	2001219910	RFVQYWQAFJJNGF-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1CC12CCCCC2	2001249683	GDHWYJUERTXWRM-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2002229646	NGKMLWZIMVRITA-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CN(C)[C@H](C)[C@H]1CCC[C@H](C)C1	2002977318	WYHPJALFOGWHQU-LZWOXQAQSA-N	239.447	4.569	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003005906	LTZVSSHEXFMMLM-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CC[C@H](C2(N)CCCCCCCC2)C1	2003098701	HRVJTFKCIUEGFR-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H]1CCCCCC[C@@H]1C[C@@H](C)CC	2003116247	HSSFEGSLZQLDKU-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCCCC(F)(F)C1	2003175145	JEJPBCZNYYNVQI-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CCC1(C)CCC(Nc2ccccc2F)CC1	2004342051	PCBCLIPVIYMTOT-UHFFFAOYSA-N	235.346	4.597	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1CC(C2CC2)C1	2007765954	PDXJUHIFGUYOJR-OWYJLGKBSA-N	236.399	4.598	0	10	BJAE	
C/C=C/C[C@@]1(CNCCC)CCCCC1(C)C	2008052891	CEVPCMGVZUEKRN-YERXGYGTSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H]1NCC[C@]12CCC[C@@H](CCC)CC2	2009061191	YSNCFHJCIXXCQP-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(O)CCC2(C)CC2)C1	2009544041	LYFBGLRGKOKRRU-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCCC[C@H](CC1CCCCC1)NC	2009620729	XQWVPGJZGNODOG-QDLOVBKTSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CCCC(C)C)C1=CC[C@H](C)CC1	2010628165	ZEYXDLRICJCMTD-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](N[C@@H](C)C1(C)CCCC1)C1CCC1	2014336275	CKDJDNOBVKSHHN-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@](C)(CNCCC)C[C@@H](C)C(C)C	2015399229	MINBGEWDJZPUOF-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@@H](C)N(C)CC1(C(C)(C)C)CCC1	2017129839	UBOUYTVWQVRCOO-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC2(CO)CCC2)CC1	2017711993	KBTNYOQHMMFVHL-SHTZXODSSA-N	238.415	4.536	0	10	BJAE	
CCC[C@](C)(CNC)CC1CCC(CC)CC1	2017726258	YADKJXIFIVBYHU-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](CC)NCC1(CC2CC2)CC1	2018139841	WKCPBMHOHAVKNZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)CCCCC(C)(F)F	2023301137	DDGDFJNDRJFSKG-GXTWGEPZSA-N	248.357	4.533	0	10	BJAE	
CCCC1(C[C@@H]2CC(C)(C)CCC2=O)CCC1	2024124805	QYFONIHZDQYPBJ-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CC1CC(CC)C1	2025434644	CZZMDOZTWWYMJS-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)c1ccccc1	2027829324	ALYWHQHWAJMQAP-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CC1(C)C[C@@H]1CCCn1ccc2c(F)cccc21	2027833880	RPHWHZICXIGEOO-LBPRGKRZSA-N	245.341	4.607	0	10	BJAE	
CNC[C@@H]1CCCCC[C@H]1CC1CCC=CCC1	2028875123	CUXJFBNSGDRHSZ-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC(CNC2CC2)(C2CCCCCC2)C1	2029108969	UIBFJCOXQNFPMX-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)c1ccc(C2CC2)cc1	2032478753	NTWHTIADYUGFQA-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@H]1CCC(C)(C)C1	2033392901	CGAIFNKCIOHVHE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@@H]2CCCCC[C@@H]2C1)C1CC1	2035860146	MBOPZSLXFSZERK-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1N[C@H]1CCCCC12CCC2	2035889672	DYUVYZNNEBTZJV-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
NC1(c2ccc(F)cc2)CCCCCCCCC1	2035890395	YIKGUTLEZCKSPP-UHFFFAOYSA-N	249.373	4.504	0	10	BJAE	
CC(C)c1ccc([C@@](C)(N)CC2(C)CCC2)cc1	2037098180	NSWYNOUYAWSDKV-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(CC2=CCCC2)CC1	2037160135	GBDBXNQHGPFTNX-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCC1(C)CC([C@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2037687342	ROTXVVKDOSLFMW-YHNBSYBMSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CNC(C)(C)C)(C[C@H]2CC=CCC2)C1	2038875379	UPMCTZHQHPUMIE-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)CC12CCC(CC1)C2	2039420769	NJPANKYQKGNJMC-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C1CC2(C1)CC1(CCC1)C2	2039461610	HZNIOVOCMSILNK-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CNC2(C3CCCCC3)CCC2)C1	2040130664	JTSNIRJFIIZFQQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@@]1(C)CC=CCC1	2042074635	PLSHFQZWQXYGOK-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C[C@@H]1C=CCCC1	2042748639	YWLHTWNNLSICCJ-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)[C@H]1CC[C@@H](C)C1	2045324676	XXGRKGGOANTFCR-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C2CCC3(CC2)CC3)C1	2045511863	KRAGIOGIZKSUGL-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@@H](NCC)C1(C)CCCCCC1	2045797879	VZYLPKLHLJHOBO-MRXNPFEDSA-N	249.442	4.847	0	10	BJAE	
C1=C[C@@H](NC2CC3(CCCCCC3)C2)CCCC1	2046233608	QEULGBKEFRZFQC-OAHLLOKOSA-N	247.426	4.578	0	10	BJAE	
CCCNCC1(C[C@H]2CC23CCCC3)CCCC1	2047012546	PBYQBSMCYTZXKK-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC1(CNC[C@@H]2CCC23CCC3)CCCCCC1	2047957526	AQEHIXIXLPIQKM-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C2CC(C(C)(C)C)C2)C1	2048619865	VRVYFGCROLAFEW-UJHNXHIOSA-N	248.410	4.620	0	10	BJAE	
CCNC[C@@]1(C[C@H]2C=CCC2)CCCC(C)(C)C1	2049510657	FUTANZAVOKJQAD-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C[C@@H]2CCC3(CC3)C2)CC1	2049857715	TVKAHZPQGPBBQS-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)[C@@]1(C)C=CCCC1	2050011196	ZSJQZTQNMAFNJM-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H](C)c1ccccc1	2051405977	FPFLJLZQXGECIA-WBVHZDCISA-N	245.410	4.515	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@H]3C[C@H]3C2)CCCCCCC1	2052479736	PGIWUXGVWJSBBX-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)C[C@H]2C=CCCC2)CCCCCCC1	2052481402	YGBYEESVCLOOSI-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CC1CCC1)[C@@H]1CCCCC12CCC2	2053421106	QCWWRNRCELCYBX-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CC1)C1(C)CCC2(CC2)CC1	2056556079	DLQYFHSFDDRFNQ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCC	2059253275	PFWGTOKWHZPHIJ-YSBOKNOISA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CC[C@H]3CCC[C@H]32)C1	2059390991	WLDJKUWHMFKVAW-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC(C)(C)C1CC1)C1=CC[C@H](C)CC1	2060930486	SQDVFWXEWOQGGF-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@]2(C)CCCCCN2)CC1	2061096599	WDLBBVQSAQJLJC-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@](C)(N)CCC2CC2)CC1	2061113607	PVRQDRIPLGJOGP-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@]2(N)CCC23CCCCC3)CC1	2061115430	HMIVKHSLPCKMJQ-YOEHRIQHSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CC[C@@]12CCC[C@@H]1C2)C1CCCCCC1	2061574196	DXPNTHYIKZZNJQ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063416117	TZFOCIRXUJQLEL-QKDCVEJESA-N	248.410	4.742	0	10	BJAE	
O[C@@H](CC1=CCCCC1)CC12CCC(CC1)CC2	2065303669	UBTOGCKCVHSEKC-WIHSUSGWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H](N)C[C@@H](CC23CCC(CC2)CC3)C1	2065339961	QSEYSACYFKTVRR-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NCCC2=CCCCC2)n1	2066347492	RLGXLJLAZAYDAR-UHFFFAOYSA-N	244.382	4.507	0	10	BJAE	
CCCc1ccc([C@](C)(O)C[C@H](C)C(C)C)cc1	2068816461	BDWSSYYTOXVEES-WMLDXEAASA-N	248.410	4.529	0	10	BJAE	
CCCC1(C[C@@H](O)c2ccc(C)cc2C)CCC1	2069339695	MCOMBSGVUQMNLI-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)C1(CC(C)C)CC1	2069517761	QAIFQFVDWKPRCA-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNC2(C(C)(C)C)CCC2)C1	2071870687	JKADYKXEBXIFKB-ZFWWWQNUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)CCCC23CCC3)CCC1	2071939681	CJKKGKZJOCFQEW-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(C[C@]2(N)C[C@@H]3CCC[C@@H]3C2)CC1	2072805973	HMXGYTAUQQHAQR-BOXKHOIUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2=C[C@H](N)CCCC2)CC1	2072814349	BIDDZGOKMWBXAR-BFYDXBDKSA-N	249.442	4.811	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@]12CCCC[C@@H]1C2	2074028325	GVUSCFPSMSIGCS-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CNC[C@@]1([C@H]2C=CCCCC2)CCCCC1(C)C	2075373519	PLYDGKSSNHYOFO-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@]1(N)C[C@H]1C[C@H]1C1CCCCCC1	2079658687	BOKRYKGNELCCHZ-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C[C@@H]2C2CCCC2)CCCCC1	2079870050	JDZOXDCRXOZWNA-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@]1(N)CCC2(CCCC2)C1	2079885978	MTRONXCNLIPXPS-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2CC3CCC2CC3)C1	2083014259	LVISJMWQTFYZGH-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
C1CCCC([C@@H]2CCCNC23CCCCC3)CC1	2083812277	LWTRSSGANGARER-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1C[C@H](CCC2(F)CCC2)c2ccccc2N1	2084767380	OPHNNRMUVXBXBF-OLZOCXBDSA-N	247.357	4.647	0	10	BJAE	
O[C@H](CCCCCCC1CC1)c1ccsc1	2210526674	HVUYBFCEHLLAAE-CQSZACIVSA-N	238.396	4.532	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1scc(C)c1C	2210560618	REWROTZWSPNPSS-LBPRGKRZSA-N	238.396	4.764	0	10	BJAE	
CCC[C@]1(CCCCCCC2CC2)CCCN1	2213572807	AHFJMUQEZXJZPK-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1CCCCCCC1CC1	2213577660	DRCJJXUFFYQAEN-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1CC=CCC1	2213578823	AIIIRYHOXGZFCL-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CCC1CCC(C[C@H](C)CN[C@@H](C)CC)CC1	2217147735	MDAFDGZWKKACPR-FXQLRMTLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@@H]1CCCC[C@@H]1C	2217150551	ZCCNZIYZFWOISR-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
C[C@@](N)(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218362187	UVPPXLJZYCIQAE-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C/C=C/c1ccccc1	2219089597	DFEDVAXXDAGXDG-VGMNTSGFSA-N	245.410	4.634	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1cccc(C2CCC2)c1	2220931974	HQMCOVHBWFKGBQ-BBRMVZONSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H]1C[C@H]1CCOc1cccc2ccccc12	2220964045	VBGFVHPSBKYPHB-UKRRQHHQSA-N	240.346	4.655	0	10	BJAE	
CC1=CC[C@](C)(CN(C)[C@@H]2CCCC[C@H]2C)CC1	2221603891	IUCGWFKHFRNJSL-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CCN[C@H]([C@@H]1CC[C@@H](C)C1)[C@@]1(C)CC=C(C)CC1	2221633415	UMLIKOLHXSSFNW-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCC=CCNC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222955400	SOGRAMHMVYFZNG-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@]12CCC[C@@H]1C2	2223129642	FFDKWGFNAPQSHK-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CN[C@H]2CCC[C@H]12	2223130543	NSFLXTJHZHRFHG-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CC[C@H]2CC[C@@H]21	2223153679	CVRPNHBLBHPCHX-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](N)c1ccc(C2CCC2)cc1	2223699282	WHNCXFUIGSSETG-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CCCC1CC(N)(CC[C@@H]2CCC[C@H](C)C2)C1	2246655370	GERWLQFUHBFCFW-FXQLRMTLSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CC[C@@H]1CCC[C@@H](C)C1)C1CCC1	2246686996	KWYJKZFFGYHIAC-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](C)CNC(C)C	2250528314	MPSIMYORAWZEEC-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)[C@H](O)CC1CC(CC(C)(C)C)C1	2251533482	DDTFOTIMORSHQI-SSDMNJCBSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)[C@H]1CCNc2ccc(F)cc21	2251638875	WXGFXIIPEAHGBI-ZDUSSCGKSA-N	235.346	4.551	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@@]23CCCC[C@H]2C3)C1	2253930118	LVEIWBWIEALHOG-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CNC23CCCCC3)C1	2253971207	NWKMHSMFDUGEGS-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CC2(CCCC2)C1)CC1CCCC1	2254082389	ONJPDFFOPDOYOR-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCC[C@@](N)(CC1CC2(CCCC2)C1)C1CCC1	2254123802	KDMSGSNZXHELKC-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CN(CC1=CCCCC1)CC1(C(C)(C)C)CCC1	2255135197	CRJULVNMDHULIV-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(C)CC2=CCCCC2)CC1	2255206470	YXZVPUWTLANTJC-DOTOQJQBSA-N	249.442	4.778	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC[C@H]1CCCC12CC2	2255223035	FQZSQXZKOBHBNT-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H]2CCC[C@H]2C)cc1	2256252710	LRCZXBANNFJBNF-CJNGLKHVSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](CC)CC1)[C@H]1CC1(C)C	2257081360	LMNLOGYPYGADKC-IMJJTQAJSA-N	249.442	4.537	0	10	BJAE	
CC1CC2(C1)CC(C(=O)C[C@@H]1CCC[C@H](C)C1)C2	2259584708	YJDZBTUTTQPKBN-DSFJPSOSSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@]23CCC[C@@H]2CC3)C1	2260582949	MCGPUJANQGNIDX-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](O)(c1cccc(C2CCCC2)c1)C(C)C	2260732048	URDFOGGIWWZDIE-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCN[C@@H]1[C@@H](C[C@@H]2C=CCCCC2)CCC1(C)C	2261446445	QEWWLRDOMFPOAN-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@@H]1CC)CC(C)C	2298126989	LQHCMQQJOFPKJJ-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC[C@@H]1C[C@@H]1CC	2298127744	IIQFIGHBZWKDBE-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC[C@@H]1C[C@@H]1CC	2298128508	INYNKNGJYUAQCJ-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C)(C(=O)[C@@H](C)CC2CCC2)CC1	2298885290	LQMQKGFFKSORRB-UYJPIKCFSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC1CCC1)Oc1cccc2sccc12	2298910299	GBWTZFHBBKJZCD-LLVKDONJSA-N	246.375	4.859	0	10	BJAE	
Cc1ccc(C(C)C)c2cc([C@H]3C[C@H]3C)[nH]c12	2300647379	VOQCDEDEDAVLPN-YPMHNXCESA-N	227.351	4.723	0	10	BJAE	
CC(=CC[C@H]1CCC[C@H](O)C1)CCCC(C)C	2300864647	CZXUJHYSGNCDSU-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC(=CCc1cncc(C)c1)CCCC(C)C	2300865374	MPRZDPITWLOIBQ-UHFFFAOYSA-N	231.383	4.705	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H]1CCC[C@@H](C)CC1	2300895921	CFLBTLIUBSYTJM-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC=CCc1ccc(Oc2ccccc2)cc1	2300939511	JBFJXNJDYJOXFQ-UHFFFAOYSA-N	224.303	4.598	0	10	BJAE	
Cc1cscc1NC[C@H]1C[C@H]2CCC[C@H]1CC2	2301239386	PGLQGTBWHWRPSJ-MELADBBJSA-N	249.423	4.685	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCCC2=CCCCC2)C1	2302362484	ZLXNQQYTOSHMQK-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)CC1CCCC1	2303474944	IRISUCDXUMQEDF-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CCC[C@H]1CCC(C)=C(C)C1)NC	2303574827	DASGEFWBVHNDCE-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H](CC1CC1)C1CC1	2303738769	UVRLLTOEAGDLLI-AWEZNQCLSA-N	249.785	4.639	0	10	BJAE	
CCCNCC[C@H](C)CC[C@@H]1CCC(C)(C)C1	2304445515	BNWBTHXOMBVZGA-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)CN(CC)c1cccc(C)c1	2307906650	HCLHUUOHUVFMSE-OAHLLOKOSA-N	233.399	4.648	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312958482	RJSKQUBRZXAQEV-MXPGSBBYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1C[C@@H]1C1CCCC1	2316508716	DMYPQJSETRLNPY-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
C[C@@](CNC1CC1)(CC1CCCCCC1)C1CC1	2317008249	CVBOYICEZUAFTQ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@]12CCC[C@H]1CC2	2317946509	XAOCLGSJRVGRAO-DOTOQJQBSA-N	246.394	4.807	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)[C@@H]1CCC12CCC2	2318583312	NSLXDUOSPYHRME-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC[C@@H]1CC[C@H]1C1CC1	2319632280	JDPUHIHMUZGLHD-XIRDDKMYSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CC(=O)CC[C@@H]1CC[C@H]1C1CC1)C1CC1	2319693243	OFUBVDONFATCKQ-CJNGLKHVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC=C([C@H](N)[C@@H]2CC[C@@H]2C(C)(C)C)CC1	2320211673	QPIYCAIQCXCDIL-ILXRZTDVSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(O)CCC3(CCC3)C2)CC1	2320327674	MONRFZKTYFFDCB-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCCCC[C@H]2C)CC1	2320337625	OGFFOIMACWKURC-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1C[C@@H]1C	2320387771	JVSHGAKTBKSHFX-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)C2CCC=CCC2)CC1	2320399712	SZKYESLFYYKHCP-MRXNPFEDSA-N	247.426	4.554	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](CC1CC1)C1CC1	2320520074	DJUSWQBLBQRSIC-PVAVHDDUSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@@H](N)c1cccc(C2CCC2)c1	2320649859	GTOWKDJBVTXTBK-PBFPGSCMSA-N	245.410	4.636	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](C)C2(C)CCCC2)c1	2321087780	VMSFHQLHRKKRCC-LBPRGKRZSA-N	249.373	4.769	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)c1ccccc1CC	2328200324	NOVVJKDRKAXJJG-PBHICJAKSA-N	248.410	4.673	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cccc(C2CC2)c1	2328273455	IZTNOEUKGQLKSI-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)c1ccc(C)cc1C	2328283744	ZXPJSIIJWCCLMZ-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
Fc1ccc(Cl)cc1NC1CCCCCC1	35284472	MDSXFHRMFMUOLA-UHFFFAOYSA-N	241.737	4.614	0	10	BJAE	
CC(C)c1ccccc1Nc1cc(F)cc(F)c1	82715539	JEAKMZUANHCEAY-UHFFFAOYSA-N	247.288	4.832	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccccc2C)CC1	86894098	KPPWAYRAOOWTLL-GJZGRUSLSA-N	231.383	4.766	0	10	BJAE	
CCNC[C@H](c1ccc(C(C)C)cc1)[C@H](C)CC	93190438	BRNBHRGHEFWPTC-PBHICJAKSA-N	247.426	4.549	0	10	BJAE	
CCC(CC)[C@@H]1C[C@@H](c2ccccc2)CCC1=O	94676066	UCDUEDDNIPGBKZ-HOTGVXAUSA-N	244.378	4.576	0	10	BJAE	
c1ccc2c(c1)Oc1cc3cscc3cc1O2	95936046	LHZPSEWFLJSZPW-UHFFFAOYSA-N	240.283	4.799	0	10	BJAE	
CCCCCC[C@@H](NC)c1cc2ccccc2o1	103951797	AZKFOLVWGMOYAJ-CQSZACIVSA-N	245.366	4.664	0	10	BJAE	
CCCCc1ccc([C@H](C(=O)CC)C(C)C)cc1	107478848	ALVRZZDLMOYMNI-QGZVFWFLSA-N	246.394	4.748	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1ccc(C)c(C)c1	109781459	USCASVGXDDQIBE-HOCLYGCPSA-N	234.383	4.553	0	10	BJAE	
Fc1c(-c2ccccc2)cccc1C(F)(F)F	112734585	FBPDWUHHMXQRAH-UHFFFAOYSA-N	240.199	4.512	0	10	BJAE	
CCCCC[C@](C)(O)c1cc2ccccc2s1	127053816	CZPBYRCGRZLVGA-HNNXBMFYSA-N	248.391	4.689	0	10	BJAE	
CCCC[C@H](N[C@H]1CC[C@H](C)C1)c1ccccc1	131212915	YUPNPTJGNHRFKY-XIRDDKMYSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2nc(C(C)C)cs2)C1	131970772	KIXUSZYIGKYCQT-VXGBXAGGSA-N	237.412	4.950	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@@H]2CCC[C@H](C)C2)c1	132463355	SJSNWBPAYUBBRM-YLQAJVPDSA-N	245.410	4.533	0	10	BJAE	
CCCCC[C@H](C)[C@@H](NCCC)c1ccccc1	133470124	CUSCHTANHUZNAY-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
CCCC[C@H](N[C@@H](C)C1CCC1)c1ccccc1	137717427	QWMMLMPFIKCXKD-YOEHRIQHSA-N	245.410	4.696	0	10	BJAE	
C[C@@H](N[C@@H]1CCC[C@@H](C2CC2)C1)C1CCCCC1	149429001	WXNWWXKIGLTYEA-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H](N)c1c(C)ccc2ccccc12	160872557	CHCAEBOHKGJYBP-INIZCTEOSA-N	241.378	4.728	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@H]1CCCc2ccccc21	164357750	KUPXHVGIHCASRP-DZGCQCFKSA-N	244.378	4.502	0	10	BJAE	
CCCCCCC(=O)CCC1CCCCC1	164721431	XSDYVMLSNPCPCH-UHFFFAOYSA-N	224.388	4.886	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)CCCC(C)C	211177712	CFHCKYDWUGTBQC-KAMYIIQDSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@@H](c1ccco1)[C@H]1CCC[C@@H](CC)C1	227002180	XYJVHHJNUIZHPM-IJEWVQPXSA-N	249.398	4.537	0	10	BJAE	
CCCC1CCC([C@@H](N)C2=CCCCCC2)CC1	232950691	GRNMCNQEQBBHRC-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
CCCCCC[C@@H](N)C1=CCCCCCC1	232959879	ZQOJRHLQVHWVIU-OAHLLOKOSA-N	223.404	4.565	0	10	BJAE	
CCCC[C@@H](CC)CNCC1(CC)CCCC1	233008696	SXXJWFJPWBEENU-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@H](C)CCC	253048707	RXQXIZKXSVXBHU-RBSFLKMASA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)[C@H](C)CC	300134061	HSBSLFDSSVXAJG-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
Cc1cccc(NC[C@@H](C)CC(C)C)c1Cl	300884420	NINUDZHPLKBOSA-NSHDSACASA-N	239.790	4.743	0	10	BJAE	
Cc1ccc2c(ccn2CCC2CCCCC2)c1	302287280	WGSIEPHNKUCGGE-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1ccc2ccccc2c1	302320108	JOAGHAMEDGAAJS-DYVFJYSZSA-N	242.362	4.555	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccccc1C1CCC1	302450385	VCNJQQIRBXGRCX-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1cccc(C2CCC2)c1	305927257	JAWKUJMUXLXHKQ-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
c1cc2cc(N[C@@H]3CCC[C@@H]4C[C@@H]43)ccc2s1	306119415	YURMHGHGKFJEON-DDTOSNHZSA-N	243.375	4.502	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H](CC)CC(C)C	308056160	BRUHJFOXOBOTDN-ARFHVFGLSA-N	241.463	4.993	0	10	BJAE	
CCC[C@H](CCC[C@H]1CCC[C@H](C)C1)NCC	310486543	GAWLJMROYHBTLE-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](C1CCCCCC1)C(C)(C)C(C)(C)C	310549240	FWEYUEYBLINUGE-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](CC2CCCCC2)Nc2ccccc21	310831797	YZYLSIPFSOLHEY-ZFWWWQNUSA-N	243.394	4.945	0	10	BJAE	
CCCNC[C@H](C)[C@H](C)c1ccccc1C(C)C	310978338	SPJXYUOMLHZBPM-GJZGRUSLSA-N	247.426	4.549	0	10	BJAE	
Fc1ccc(N[C@@H]2CCCC23CCCCC3)cc1	313048292	WGWSXXIAWMFVKF-OAHLLOKOSA-N	247.357	4.741	0	10	BJAE	
CCCC1CCC(CN)([C@@H](C)[C@@H](C)CC)CC1	319477734	ALYPDCRYAHKDRW-FXQLRMTLSA-N	239.447	4.604	0	10	BJAE	
O=C(CC/C=C/c1ccccc1)C1CCCCC1	323754789	FEKYEYABVVKJOQ-YRNVUSSQSA-N	242.362	4.629	0	10	BJAE	
CC1(CC(=O)c2cccc3ccccc23)CCC1	381287757	WSCIOBDZTIDQIE-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
Clc1ccc2ccn([C@@H]3C[C@H]4CC[C@H]3C4)c2c1	383128646	LZWQXEUMVFZHQK-VHRBIJSZSA-N	245.753	4.656	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)CC1CCCCC1	384832836	FUUPZBFKLYBUSJ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C1=C(CC[C@@H]2CCc3ccccc3N2)CCCC1	385159262	LDCNJZYSAUDIRB-MRXNPFEDSA-N	241.378	4.694	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)[C@@H](C)CC(C)C	385355478	WYDARGJRFJGTEI-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CCCC1([C@@H](CCC2=CCCCC2)NCC)CC1	385942303	WHDAJQWKJZOUBK-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)CCC2=CCCCC2)c1	386264128	LAIZKYHCOSCCIE-KRWDZBQOSA-N	244.378	4.617	0	10	BJAE	
CC[C@H](C(=O)CC1(CC)CCC1)c1ccccc1	386441929	BURHTSIXOPZHTG-HNNXBMFYSA-N	244.378	4.720	0	10	BJAE	
CCCC[C@H](CC)NCC(CC)(CC)CC	391173101	GWONFQZUOPGJCK-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(N)CCC[C@@H](C(C)C)CC1	393876503	GHMRDTWMXWWTEU-XHSDSOJGSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1ccc([C@H](O)C2(C)CC2)c(C(C)C)c1	393987325	JUCXOVXBDHJDQA-INIZCTEOSA-N	246.394	4.767	0	10	BJAE	
CCC(CC)(CC)CNc1cccc(F)c1C	395112359	CSCMJLWKKRCFHP-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
Cc1ccc(NCCC2=CCCCC2)cc1C	395329234	QVEOBWJKDATJEA-UHFFFAOYSA-N	229.367	4.606	0	10	BJAE	
CCOc1c(CC)ccc2sc(Cl)cc12	396195218	VQHYUSOKYADAGM-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc(C(F)F)c2cc(C)sc2c1	396228979	WJUSWTWOESJFKG-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1cc(C(F)F)c2scc(C)c2c1	396231304	YVKPJJWXVRCTLW-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1ccc2c(C)csc2c1C(F)(F)F	396307048	QSTFOTOTXMEIAW-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC(C)[C@@H](N[C@H](C)CCC1CC1)c1ccccc1	398054032	XRIGHPOSWRDJEI-RHSMWYFYSA-N	245.410	4.552	0	10	BJAE	
C[C@H]([C@@H](N)C[C@@H](C)C1CCCCC1)C(C)(C)C	399139160	SWQQFBRMTJUFON-NFAWXSAZSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)C[C@@H](C)C(C)(C)C	401086104	RETFPYVJKCWARZ-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC(C)(CCC1=CCCC1)c1ccccc1	686731407	AHBWUNZWFSKJBL-UHFFFAOYSA-N	214.352	4.855	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@@H]1CC[C@@H](C)C1	688941087	VYLIXJWLLGGXNY-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)[C@H]1CC1(C)C	688941109	WEXIYTDVSHLJAF-CVEARBPZSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)C1(C)CCCCC1	692039015	UHMIXMNKUXCKJT-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](C)c1ccsc1CNCCC	693092121	RRWBNHJDDPVDHE-GFCCVEGCSA-N	239.428	4.541	0	10	BJAE	
CCC1CCC([C@H](N)CCC(C)(C)CC)CC1	696561011	MLQLLYBLDLAJEL-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC(=O)c1c(C)cc(C)cc1C	696609481	MNXQVXVQYKMAOO-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
CC(C)C1(C(=O)c2cccc(C3CCC3)c2)CC1	697586160	VEOANVKLNBCVLS-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC(C)=CCC[C@@H](N)C[C@@H](C)CC(C)(C)C	697778043	SRLNYFGKLDNVBK-ZIAGYGMSSA-N	225.420	4.523	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CC[C@@H]2C[C@@H]2C1	697814131	DUWCHCQZYSDJAC-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@]1(N)CCCC12CCCCC2	704436259	NVHCOOGWJXHRRL-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CCC=C(C)C	704683126	NSMDHQUZQHRAHR-LSDHHAIUSA-N	225.420	4.523	0	10	BJAE	
CCCNC[C@]1([C@@H]2CCCC[C@H]2C)CC=CCC1	704833979	FVKULZZKGBCNGN-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@](C)(N)CCC(C)(C)C)C1	704855108	OQJANBPCMJCTRH-NHIYQJMISA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@H]1CCCC[C@H]1C	704880169	VTWZHTFCAAYQCD-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CCC1CCCCC1)[C@@H]1CC1(C)C	704986496	XXTGYDFNYUCRKC-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)NC[C@H](C)[C@H](C)C[C@@H](C)CC(C)(C)C	709074323	BKOWUYROOQOADG-KFWWJZLASA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C(C)C)[C@H](N)C[C@H](C)CC(C)(C)C	709210103	CWANTOJINIDHNM-UONOGXRCSA-N	241.463	4.704	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)C[C@H]2CC[C@H](C2)C1	711119832	POITVFIKVDIXBG-ZSHCYNCHSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C[C@@H](N)c1cccc(C)c1C)C(C)(C)C	711120769	NRYAILZGJLEVAM-GOEBONIOSA-N	247.426	4.766	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H](C)C(C)(C)C)CC1	711218668	MCSPSTIAHTYKPF-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C\CCC(=O)c1cc2cscc2s1	713703063	UWHUQRLLUANIIS-ARJAWSKDSA-N	248.372	4.668	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CC[C@H]3CCCC[C@@H]32)C1	714315188	YEAPLFWFKDWGNU-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
N[C@H](C1CCCCC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714477136	SZGHWQWNIWJOHV-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC/C=C/[C@@H](C)Cc1ccc(SC)cc1	714561586	ZASPGMFATCXTLR-BTDICHCPSA-N	220.381	4.553	0	10	BJAE	
CN[C@H]1CC(C)(C)CC[C@H]1CCCC(C)(C)C	717463070	JHTCVPVUECZMJR-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CNC[C@@]1(CCC(C)=C(C)C)CCC[C@@H](C)C1	718738308	FKFRHBBRMKWPAT-GDBMZVCRSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CCC[C@@H](CNC2(C3CCC3)CCC2)C1	1651199146	AYISJNZEJRYBRM-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)Sc1ccc2c3c(cccc13)CC2	1652166419	DRSNNGCEHFZKRK-LLVKDONJSA-N	242.387	4.829	0	10	BJAE	
Cc1cc(-c2ccc(Cl)c(C)c2)cs1	1889510620	TUNNNKIDPCKWKF-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CCC(CC)CCC(=O)CCCC(C)(F)F	1900699714	DFJITTRELABXAO-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CC[C@@H](C)[C@H](O)CC=C(C)CCCC(C)C	1900906671	VJBVKKJUXHMKAJ-HUUCEWRRSA-N	226.404	4.556	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(N)CC2(CCCCC2)C1	1912727521	LPYCXUIZXMCPKK-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)C[C@@H]1CCCCCCCC[C@H]1N	1913405805	VIFAYFPNJOFBJG-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](C)[C@](C)(O)c1ccc(C(C)(C)C)cc1	1919632041	UZQMATMSNYMYCQ-DYVFJYSZSA-N	248.410	4.628	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H](C)C(C)(C)C	1919969771	LTWHYDNBHCAMOK-UKRRQHHQSA-N	228.420	4.780	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@H](C)CC(C)(C)C	1920188287	TZMWYHNZMVZVPB-OFQRWUPVSA-N	241.463	4.993	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C2CC(C(C)C)C2)c1	1921171884	CETZHTQRNVJQAF-OFLPRAFFSA-N	246.394	4.526	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H]1CCCC12CCC2	1921605803	PKPNAKXPAJNESE-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@@H](C)C1CCCCC1	1924099670	LBQVYCXMWAXNJH-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
C[C@H](C=C1[C@@H](CN)CCCC12CCC2)C(C)(C)C	1924788204	GAGPFOAXVLOMRM-ZIAGYGMSSA-N	249.442	4.524	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H]1C=CCCCC1	1925899948	ARGUUWSILAUHGG-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@H]2C=CCCCC2)CC1	1925904515	XPZFZPVJBPZYCL-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC(F)(F)CC)CC(CC)CC	1926194273	TUUNJMLDHDLSPY-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
C1=C(Cc2csc3ccccc23)CCC1	1930912493	FEKSMZSGMCRRGJ-UHFFFAOYSA-N	214.333	4.554	0	10	BJAE	
C[C@@H](CCCC(C)(C)C)c1ccc(N)cc1	1935994400	NSTRELJLLVIPMG-LBPRGKRZSA-N	219.372	4.589	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H](CC)C(C)C	1936212563	OIAHSBLYTODJMN-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1cnc([C@@H]2C[C@H]3CCCC[C@H]32)s1	1936501246	VGVZWQTZTGSELF-IJLUTSLNSA-N	235.396	4.560	0	10	BJAE	
CCCC[C@@H](CC)C[C@](O)(CC)CC1CC1	1939402968	JRQHWQBEZHJCCC-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)C(=O)CCCC[C@H]1CCCC1(F)F	1940730887	DGXFYRMKOYNTSA-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
C[C@H](C[C@H](O)CCC[C@H]1CC1(C)C)C(C)(C)C	1940880971	COLJDPUPCBNAAY-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](O)(CCCC1CCC1)C1CCCC1	1941471027	YNDSARJYGNJJFC-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](O)CCCCCC1CC1	1941573866	UGOUIHAXNBLGKI-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)CCCCCC1CC1	1941586274	JXEUPJUQMRDQBQ-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)CNCCCCCC1CC1	1941588218	ZQWVJPGZLWCTPS-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCN[C@H](C)CCCC1C[C@@H](C)C[C@H](C)C1	1944206224	WXYYSDLAVAVXKH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H]1CCC[C@@H]1C)NC	1944819537	LCACCCKYFUUCRM-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2C=CCCC2)CC1	1947560095	WUBPNQFSTMAQMU-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@@H]3CC[C@@H]32)c(C)cc1Cl	1948821262	RMZNSHHBHJFIKP-OBJOEFQTSA-N	249.785	4.557	0	10	BJAE	
CCC1(C[C@@]2(N)C[C@@H](C)CC(C)(C)C2)CCC1	1948980766	BVEBXQXFSZUORX-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
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CCCC[C@@H](CC)C[C@H]1CNC2(CCCC2)C1	1949543278	KOEGCJBUUFETHE-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
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CC1(C)CC[C@@H](CC(=O)CC2CCCCC2)C1	1949918683	UFIQCHSJEBUVKN-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC1CC(C)(CNc2ccccc2C(C)C)C1	1950523825	NHUOLXSKUMNHJW-UHFFFAOYSA-N	231.383	4.658	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)[C@H]1CCCC(C)(C)CC1	1950920005	RBJLTLPKTJSJHS-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@H]1CCC[C@H](C)CC1)C(C)(C)C	1950929039	DCOISQVXXHFAMW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCC[C@@H](C3CC3)C2)C1	1963183045	PRJREPTWNCCATL-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(NC[C@H]2C(C)=CCC[C@H]2C)CC1	1963220390	NCXSBJFWWWGCPR-VXLLPVPCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCCCC23CCC3)C1	1967800728	ZGWNNZDKXKXKMT-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1Cc2ccccc2N1C[C@H](C)CC(C)(C)C	1968232841	MMMMMZSIOWZGDW-KGLIPLIRSA-N	245.410	4.510	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC1[C@H]2CCC[C@H]12	1968350017	LXINESWFXLIPNS-GJZGRUSLSA-N	244.378	4.543	0	10	BJAE	
CC[C@@H](NC1CC(CC)(CC)C1)c1occc1C	1972936608	NBUDIKWABQHYLX-CQSZACIVSA-N	249.398	4.598	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCC1CC2(CC2)C1	1973086700	MZGRPLJDEBCJDO-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)C(=O)c1cc(C)cc(Cl)c1	1976004226	VTOOSNOWTVPOEL-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CC1(C)CCCC1	1986942841	DUPWWDQPYPFDGK-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
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C[C@@H]1CCC[C@H]1Nc1ccccc1SC1CC1	1996551046	ZIQADHSHTBYGIF-DGCLKSJQSA-N	247.407	4.542	0	10	BJAE	
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CC(C)[C@@H](C)[C@]1(O)CCCC2(CCCCC2)C1	1996646727	FWGRNQAOKHXYBR-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H]1[C@H]2CCCCC[C@H]21	2002198247	PRGKXJURHRIJKG-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H]1[C@H]2CCCCC[C@H]21	2002206738	FHKPPPWKCATXLD-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
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CCCCC[C@H]1CC[C@H]([C@@H](O)CC2CC2)CC1	2003100747	SSJPWKXCGMGQRG-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
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Cc1c(Cl)cccc1N[C@@H]1CCC[C@H]2CC[C@H]21	2004796866	DZQNNPQUTLRQML-YWPYICTPSA-N	249.785	4.639	0	10	BJAE	
CC1(C)CC[C@H]1[C@@H](O)C1(C)CCCCCCC1	2004920863	ORIFBIDTEZCHAV-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
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C[C@H](CCC(C)(C)C)Nc1ccc(CF)cc1	2007026609	NDLYUOMDLTYFNM-GFCCVEGCSA-N	237.362	4.783	0	10	BJAE	
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Cc1cc(Cl)ccc1[C@H](N)C=C1CCCCC1	2007941125	YPPTUEYOOYRGET-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)c1ccsc1C	2007946586	MXQWVMSHVYFTOY-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C=C2CCCC2)CC1	2007963898	OJWWBOAHZQSCTN-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)CC[C@@H]1CC(C)(C)C	2009404622	PITWEEKOYUBCNP-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H](N)c1ccc2sccc2c1	2009599467	ZPGPXZMQNWGYRI-CQSZACIVSA-N	245.391	4.648	0	10	BJAE	
CC=CCCC[C@H](CC(CC)CC)NCCC	2009617408	SBGYFBYQGAUWQI-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCC(CC)(CC)CN(C)CC1CCCCC1	2011185229	YYMWLVQOHCOEGF-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
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CC(C)[C@@H](C)C[C@@H](O)c1csc2ccccc12	2015283226	BZPBPJAAFBYOOF-SMDDNHRTSA-N	248.391	4.617	0	10	BJAE	
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c1cc2cc(NC[C@]34CCC[C@H]3C4)ccc2s1	2016322974	YMJFAELRJVHYAN-SWLSCSKDSA-N	243.375	4.503	0	10	BJAE	
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CCCC1CCC(CC(=O)[C@H]2C[C@H]2CC)CC1	2017774613	QVDIALRYPLZDBT-CVSAEHQPSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H](C)C1CCC1	2019355981	YUAJXCKBYCQHNB-HOCLYGCPSA-N	239.447	4.713	0	10	BJAE	
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CC[C@H](CC1CC1)Nc1ccccc1C1CC1	2021026855	HQKZLMASNSSEHW-CQSZACIVSA-N	229.367	4.555	0	10	BJAE	
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C[C@H]1CCC[C@H](c2ccc(C3CCCC3)cc2)N1	2031750367	RLRMHKXLWVVDDE-SUMWQHHRSA-N	243.394	4.547	0	10	BJAE	
CC[C@H](CCN)CCc1ccc([C@H](C)CC)cc1	2034173231	ULNZHFPQYBWJDD-CABCVRRESA-N	247.426	4.508	0	10	BJAE	
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C[C@H](NC[C@@H]1CCC[C@@H](C)CC1)c1ccccc1	2041383593	OXPZQWWODBBQRD-OWCLPIDISA-N	245.410	4.554	0	10	BJAE	
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C1CCCCCC(NC2[C@@H]3CC[C@@H]23)CCCCC1	2041937067	HKCIIWKWQNUQNK-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)[C@H]1CC=CCC1	2042019727	QRCFIIMYMRTUHA-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
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Cc1cccc([C@H](O)[C@H]2CCCC(C)(C)C2)c1C	2045363385	AYXJIFPQMDAKHS-GOEBONIOSA-N	246.394	4.553	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccc([C@@H]2C[C@@H]2C)o1	2045556587	ANZMONQESOUTJK-QWHCGFSZSA-N	246.350	4.722	0	10	BJAE	
CCc1ccccc1[C@@H](NC)C(CC)(CC)CC	2045727383	KFRIPEUDTYIYKB-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CC[C@H]1CCCCCN1C[C@H]1CC12CCCCC2	2047028414	YHWWOGXHNXYADM-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
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Cc1ccccc1[C@H](N)CCCC(C)(C)C1CC1	2050456680	TXOLVHUPLOPDPK-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@H]1CCCCC12CC2	2053412255	NZHLJNPBWRPOFI-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
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CCC[C@H](NC[C@@H]1CCCCC12CCC2)C1CC1	2053435232	BBPDNRUVNVPNBS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
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CCCN[C@@H](C=C1CCCC1)CC[C@@H]1CC1(C)C	2056873124	KOWYEHQULNKJAT-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
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CCCN[C@H](C=C1CCCC1)C1CCC(C)CC1	2056877956	FVBLDCRMWBIMOZ-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC(NC2CCC3(CCCC3)CC2)C1	2059395185	HOOFENNAQPMHBQ-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CC=C([C@@H](CC2CCCCC2)NC)CC1	2061081313	NQXGCNUZDOWDDK-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
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CN(CC1CC(=C2CCC2)C1)C1CCCCCC1	2061689748	BNKNIXPARWMHOE-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
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CC[C@@H]1CCC[C@@H](Nc2cccc(C(C)C)n2)C1	2066346729	KDZCQMYKLDWDCE-ZIAGYGMSSA-N	246.398	4.586	0	10	BJAE	
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C[C@H](NC1CCC2(CCC2)CC1)C1(C)CCCC1	2067522873	XTEOFMXXDLFMRF-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
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C[C@@](N)(CC1CCCCC1)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068774362	YGNRSMDRHLFRFA-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
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CC(C)C1(C[C@@H]2CCc3cc(N)ccc32)CCC1	2071947941	CTMZDLXJEWHTKJ-AWEZNQCLSA-N	243.394	4.515	0	10	BJAE	
C1CCCCC(NC[C@@H]2CC3CC2C3)CCCC1	2072031536	CJCPCZSSPGTVFD-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)c2ccc(C)cc2)CC1	2072694975	DQCQLRITKBJEBS-XIRDDKMYSA-N	245.410	4.601	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CNC23CCCCC3)CC1	2072813999	YCMNJHQSELKXNJ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@@H](C)c2ccc(N)cc2)CC1	2072819986	GIQYUXBCQVTMSX-WLYUNCDWSA-N	245.410	4.979	0	10	BJAE	
CCCC1(C[C@@]2(N)C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1	2074624342	QKOCUTXOAXHEGQ-JLJPHGGASA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CC[C@]12CC[C@H](C)CC2	2074898364	CAYQULDQSAXHBT-MWDXBVQZSA-N	249.442	4.610	0	10	BJAE	
CC(C)(C)C[C@@H]1CCN1[C@H]1CCC12CCCCC2	2075016832	QDHDDKIHQGVALP-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CCCN(C[C@H]1CCC2(CC2)C1)C1CCCCC1	2076585062	HQKQFWVYCVXSIF-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CCC)[C@@H]1CC=CCC1	2079625841	GMEHQDLTOUUCIG-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@@H]1C[C@H]1C1CCCC1)c1cccc(N)c1	2079707723	VFXUEIOUWCHZHZ-VMGRFDJRSA-N	243.394	4.589	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2C[C@H]2C2CCCC2)c1	2079802496	KMYYXSCDHVBNSD-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
N[C@@H](C1CCCCCC1)[C@@H]1C[C@H]1C1CCCCC1	2079833245	SBVUNTAEHQROSA-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@H]1C1CCCCC1)C1CCC1	2079862371	IFXOTISXVILHFT-RCBQFDQVSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(CC23CCC(CC2)CC3)C1	2085305136	JPKSYBOPIVRKJE-MYBQVCMBSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C[C@H]1CC12CC2	2086352575	GEQWTCOPGLANIV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(C[C@H](N)C[C@H]2CC23CC3)CC1	2086353300	WWRZRNPOPBGERR-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCCCC1CC1	2211115305	XEHVALBAYJUYIW-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCCCCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2213283623	VKTYNBKCFAIUJV-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC(C)(C)[C@H](CCCCC1CC1)NCC	2214572087	ZZOZNQPQHUBXPU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCCCC[C@@]1(O)CCCCC1CC1	2214582505	PKKKATCHLWSYLP-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
Cc1ccn([C@@H]2CCC[C@@H](C(C)(C)C)CC2)c1	2214625482	CRYKHFGDWRPPNI-HUUCEWRRSA-N	233.399	4.964	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2CC[C@H]2C)CC1	2214947405	BJPOGKKAFPNVEI-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(CC[C@H]1C[C@H]1CC)CNCC	2215264831	GPFHMGJCESGDFZ-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)c2scc(C)c2C)CC1	2215819874	ZMAOGFGJZVTYLS-GJZGRUSLSA-N	249.423	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](O)(CC2CCCC2)C1	2216251844	GRFMNTOMBNMERS-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)N(C)[C@H]1CCC[C@@H](C(C)(C)C)C1	2216257514	LUJVJVAHUIJUQX-HIFRSBDPSA-N	239.447	4.712	0	10	BJAE	
CCCN[C@H](CCCC(F)F)C[C@H](C)CCC	2216417732	OOPODRPTTYLZQF-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H](CCCCC(F)F)CC(C)(C)C	2216449515	NRZBZDFQKCDAJJ-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC(=O)C[C@H](C)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216748008	SCNRBNMGTLIKSI-HNKHHVNMSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1NCCCCCCCC1CC1	2216876409	XGOCCVQRRZWKNK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218336596	XCRZNCBIAXSUPY-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C2C[C@H]3CCC[C@H](C2)C3)C1	2218340115	PFQDDHUPKPYRAN-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCC1CCC1)CC1C[C@H]2CCC[C@H](C1)C2	2218355145	ZKISIRJZWQKHRH-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CN(CCCCC1CC1)C[C@@H]1CCC=CCCC1	2218675825	ZMBIQLFWXIKHML-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CCCCC[C@H](CC)NCC1(C2CC2)CC=CC1	2219248465	BXICWQVIIJJORP-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@H](C)O[C@H]1CCNc2ccccc21	2220742833	CQRZURCEYIIVJA-CJNGLKHVSA-N	247.382	4.529	0	10	BJAE	
CC[C@H](NCC1(C)CC2(CCC2)C1)C1CCCC1	2220934540	CNAVNHGSXXUYAP-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](CNC2CC2)([C@H](C)CC(C)C)CC1	2221668623	PXDJSHUJEHOECO-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)[C@@H](C)C1CCCCC1	2222007456	ULUUNEOVPVIBOH-WMLDXEAASA-N	246.394	4.553	0	10	BJAE	
CC1(C)CNCCC1=CCCCCCCC1CC1	2223119447	FKSFNIUNSZPTLA-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)c1cccc2ccoc12	2224179713	DHDGWTNFWJPHHX-AWEZNQCLSA-N	245.366	4.520	0	10	BJAE	
Fc1c(Cl)ccc(CC2=CCCCC2)c1F	2243236099	FPUPKBXDJTZPBI-UHFFFAOYSA-N	242.696	4.661	0	10	BJAE	
CC(C)=C(C)CCCc1ccc(C)cc1F	2243330511	PPBZVGSJPYCRMW-UHFFFAOYSA-N	220.331	4.813	0	10	BJAE	
CC(C)C[C@H](CN)CCC[C@@H]1CCC[C@H](C)C1	2246690158	ZTRCOIXMSCWDLO-HRCADAONSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC[C@@H]1CCC[C@@H](C)C1	2246690471	AXQJJKIHABHGDN-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(N)CCCCCC2)C1	2246732180	JKMDZOQGCWLAFX-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCCCCC1(O)CC2(CC(C)C2)C1	2246827778	XTDKOAQRYJGNPK-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC1([C@@H](N)CC2=CCCCC2)CCCCCC1	2247511974	OABHNVKJBRHTRS-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CC1CCC(C(=O)c2csc(C3CC3)c2)CC1	2248069759	PNNCSQKNTPAYQC-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)c1csc(C2CC2)c1	2248070583	TZPJCPLENQYJFW-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
Cc1cc(O)c(C)c(-c2c(C)sc(C)c2C)c1	2248281301	UFENSXRMSWLJHZ-UHFFFAOYSA-N	246.375	4.663	0	10	BJAE	
CCC(C)(C)C(=O)c1cc(C)c2sccc2c1	2248564939	BTUBESWQNCZUMM-UHFFFAOYSA-N	246.375	4.829	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@](C)(N)CC1CCC1	2248879542	NIXCBEKEZJLULO-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1[C@@H](C[C@H](C)CCC)CCC1(C)C	2251712528	NOABNLPAOGWLEV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H]1[C@H](NCC)C(C)(C)CCC1(C)C	2251722797	UMBFMGIXDDKIQR-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@H](CCC1CC(C)C1)NCC	2251753671	BBMWSUXYAHALGQ-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCC(N)(CC)CCC12CC3CC(CC(C3)C1)C2	2253980965	HRIWVQKKDCTAQI-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CN(CC1CC2(CCCC2)C1)C1CCCCCC1	2254108442	XFEVXXBBXBYDKC-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
Cc1cccc(C(=O)CCCC[C@H]2C[C@H]2C)c1F	2254594314	RLPCTKNJWBVZEN-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCCC[C@@H]2C[C@H]2C)c1	2254606447	FXALIPXGHKOBMA-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H](CC)Oc1cc(C=O)cc(C(C)C)c1	2254726640	LNZBZIUPBSXGMZ-HNNXBMFYSA-N	248.366	4.580	0	10	BJAE	
O[C@@]1(CC2=CCCCC2)CCCCC12CCCC2	2255062708	IIMZYAQLHKFPIE-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1cccc(C(C)(C)C)c1	2257947708	QWUXEPXJBVXALH-CJNGLKHVSA-N	245.410	4.975	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC(C)(C)c1ccccc1	2259436068	FDKRJEXJMRURIQ-GOEBONIOSA-N	248.410	4.542	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@]12CCCC[C@@H]1CC2	2260495861	ZTWTXLXFVKXDCT-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](N)[C@@]23CCCC[C@@H]2CC3)CCC1	2260500068	IKYHSBHPSZJHSP-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)[C@]12CCCC[C@@H]1CC2	2260525885	YUVSQAHFUXLVGB-WBOJAVRRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2260577840	IBJUPRWAJTWPKN-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)NCC1(C[C@]23CCCC[C@H]2CC3)CC1	2260658520	PRVYAGMQLHJWPS-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CNCC1(C[C@]23CCCC[C@H]2CC3)CCCCC1	2260677831	HSCCQZVLWSHABT-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC[C@]1(CN)C[C@@]12CCCC[C@@H]1CC2	2260678453	LKDXPVBRSGRLGB-HYVNUMGLSA-N	249.442	4.502	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccnc(C(C)(C)C)c1	2260740623	RVYUJSYMJYRPEQ-ZDUSSCGKSA-N	248.414	4.616	0	10	BJAE	
CCCN(C1CCCCC1)[C@H](C)CC1CCC1	2298877518	CLHBSEUOCMQQGR-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
C[C@@H](CC1CCC1)n1ccc2cccc(F)c21	2298932185	GUIOFKHYCGKHIO-NSHDSACASA-N	231.314	4.532	0	10	BJAE	
CCC(C)=CCNc1c(CC)cccc1CC	2300867783	QFRIYEFMWIITLX-UHFFFAOYSA-N	231.383	4.580	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2CCCCCC2)[C@@H]1C	2301143214	RNLBFXHIXBEOQG-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@H](N)CC1CCCCCC1	2301144761	HJFXMJQFYVJSCO-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC(C)NC[C@@H](CC1CCCCCC1)C(C)C	2301189064	QJRKEALXWNLUPN-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)n1ccc2c(F)cccc21	2301954289	YLDYPOJOMPJHAB-RYUDHWBXSA-N	233.330	4.634	0	10	BJAE	
CC1CC(CCC(=O)C[C@H]2CCC(C)(C)C2)C1	2302873620	LQQRZLSFMVIVLK-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](NC[C@H](C)CC(C)(C)C)CC1	2303458972	MNDYJJGKFDICKX-IUODEOHRSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](C)[C@@H](C)NC(C)C)CC1	2303522328	HLPIJDWHSVYBHM-BZUAXINKSA-N	237.431	4.536	0	10	BJAE	
CCC(CC)C[C@H](O)CC[C@@H]1CCC(C)(C)C1	2304353077	XWEHODXEQYSVTH-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](O)(CC)C12CC(CC(C)C)(C1)C2	2304437209	PKMPDHQKRDUYEP-GPANFISMSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)CC[C@H]1CCC(C)(C)C1	2304439860	MTIGGWUUNZXAJP-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@H]1CC[C@@H](C)C1	2307819823	QCXAHCZKQLDDDY-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1(CC2CC2)CCC1	2307907513	CQWDNZWKXPWQFN-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@]12CCC[C@@H]1C2	2308101879	LWRZJRWIRHEUJH-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](NCC)[C@@]1(C)C=CCCC1	2311586177	FMEPGQVQALGPLE-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2C[C@H]2C2CCCCCC2)C1=O	2311609514	DVVWUJPZTAXZBS-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312952002	ZGOSDTQJJXODHR-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2313289091	SNWADRBZWXXPMZ-RKTXRCNFSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC[C@@]23CCCC[C@@H]2CC3)C1	2313313033	ITKXBWCDTHSWKZ-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@@]12CCC[C@@H]1CC2	2313320895	COJPBVJFXQPMAH-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]([C@@H](C)CC1CCC1)[C@@]1(C)C=CCCC1	2313706210	ZXFCVDZASLUJSD-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@@]1(N)C=CCC[C@H]1C)CCCC(C)C	2316501613	GGURFQXLVIQWOP-SJORKVTESA-N	249.442	4.833	0	10	BJAE	
C(=C1CCNC2(CCCC2)C1)C1CCCCCC1	2316885536	RKRODXQXSYPLDR-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C12CCCC1CCC2	2317013274	OIMMEOVIYJIDEW-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H](C)[C@@H](C)C(C)C	2317898089	KHUPCPCZDJSDRN-KBPBESRZSA-N	246.394	4.750	0	10	BJAE	
CCCN[C@H](C)c1cccc(CCCC(C)C)c1	2318392416	JXDSNVUAQRQSEU-OAHLLOKOSA-N	247.426	4.726	0	10	BJAE	
CC1=C(C)[C@H](O)[C@@H](CCCC2=CCCCC2)CC1	2318575483	FSCDDGFZTQHZIK-IRXDYDNUSA-N	248.410	4.764	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)C[C@]12CCC[C@H]1C2	2318581618	YPMFLNRFQCTZSA-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
C1=C(CCCN2CC3(CCCCC3)C2)CCCC1	2318586551	KXNAOPDITRSJDL-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
Cc1oc(C)c(C(=O)C[C@H]2CCC(C)(C)C2)c1C	2319138935	PRGOKSGRVPBOID-CYBMUJFWSA-N	248.366	4.604	0	10	BJAE	
CC1(C)CC[C@H](CC2CCC3(CCCN3)CC2)C1	2319320911	QOERMQOKSOLBDH-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC(=O)C1CC2(CCC2)C1	2320320025	KNLKIIXMVUGSHF-JSGCOSHPSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2320405900	HBOIGFNVJUBUNO-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@H]2CCC[C@@H]2C)c1	2320572307	UBYVVAFUUKMBOQ-ZFWWWQNUSA-N	244.378	4.819	0	10	BJAE	
CC=CCCC[C@H](O)c1cccc(C2CCC2)c1	2320655414	NFQDMGBBTBAXDE-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)c1F)[C@H]1C[C@@H]1C	2327807832	MIXSCCIFNPGKLK-UBHSHLNASA-N	249.373	4.796	0	10	BJAE	
CCCCCCc1ccc([C@@H](C)CC(C)=O)cc1	2327904940	GKBCQFKHYDYNMA-AWEZNQCLSA-N	246.394	4.892	0	10	BJAE	
CCC[C@@H](CC)CC1(O)CC(c2ccccc2)C1	2328196588	MVWYDGXPGJAFFO-ODIFPOPNSA-N	246.394	4.512	0	10	BJAE	
CCC[C@@H](N[C@@H](C)CC(C)C)c1ccccc1	37118018	OXEQIAUIGVBPEI-GOEBONIOSA-N	233.399	4.552	0	10	BJAE	
Cc1ccc([C@H](C)c2cccc(Cl)c2)cc1	59367653	IQXOFVILRVHRIV-LBPRGKRZSA-N	230.738	4.800	0	10	BJAE	
CCCC[C@H](CC)N[C@H](CC)c1cccs1	68987173	HXCQOCWFQMQING-QWHCGFSZSA-N	239.428	4.758	0	10	BJAE	
CC[C@H]1CCC[C@@H](Sc2ccc(C)cc2N)C1	71150148	OPKGCJINJZVECK-QWHCGFSZSA-N	249.423	4.638	0	10	BJAE	
Clc1ccccc1N[C@H]1CCC[C@@H](C2CC2)C1	81624022	ONWGUGAVCKMHDM-OLZOCXBDSA-N	249.785	4.721	0	10	BJAE	
CC(C)[C@H](Nc1ccsc1)c1ccccc1	85529138	QMIZUMKTTKFNRM-AWEZNQCLSA-N	231.364	4.557	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@H](C)CC1	86892610	BGNMKZWBEAMBKW-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@@H](CNC(C)C)c1cccc(C)c1	93126947	GAHAFHFXRAOAKK-KRWDZBQOSA-N	247.426	4.657	0	10	BJAE	
C/C=C\[C@H](C)Cc1ccc(C(C)C)cc1	107635375	BZAZFYRSKDBTDZ-SZZPACECSA-N	202.341	4.565	0	10	BJAE	
CCCCc1ccc2nc(C)c(C)c(Cl)c2c1	109692799	GJQDBHXHKBLCSD-UHFFFAOYSA-N	247.769	4.848	0	10	BJAE	
CCCCC[C@@H](O)c1c(C)c(C)c(C)c(C)c1C	109784484	GORGHJZTFLYKDC-MRXNPFEDSA-N	248.410	4.842	0	10	BJAE	
CCC1CCC(N[C@@H](CC)C[C@@H](C)CC)CC1	109928717	DFHWAAUGARLODX-UIDBIOKJSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](CCC)CCCCc1ccccc1	110445743	JAOIXNWITDPMOY-KRWDZBQOSA-N	247.426	4.568	0	10	BJAE	
CCCC[C@@H](NCCC)c1cc(C)c(C)s1	124619405	BXLFLIUYVIXJRC-CYBMUJFWSA-N	239.428	4.596	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1cccc(CC(C)C)c1	131713312	OXIHFBAQJGAODN-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
Cc1ccc(-c2ccc(C3CCC3)cc2)cc1N	133382142	CAYJUYXXTSWFFH-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
Cc1cccc(Sc2cc(Cl)ncc2C)c1	133751017	FNOBTNDUNCOXBB-UHFFFAOYSA-N	249.766	4.503	0	10	BJAE	
CCCc1ccc([C@H]2CC(=O)C2(CC)CC)cc1	161726699	LYFBCEAUTQPNHQ-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C1(C)CCCC1	163413533	QQWCZAYAZXKDQW-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(=O)CC1CCCCC1)CC(C)(C)C	164863567	GNFAMDKGELHELR-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@H](C)/C=C/c1ccccc1O	209938859	NVNCCSQBEUDTOZ-YLSINNKHSA-N	218.340	4.622	0	10	BJAE	
CCCc1ccc([C@H](C)[C@H](CCC)NCC)cc1	212568386	QUFJKVMLMMUVFM-YOEHRIQHSA-N	247.426	4.521	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@]1(N)CCC[C@H](C2CC2)C1	227175061	KTAXNCWTQNNXGN-QSPRXWTASA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(-c2ccccc2C2CCC2)cc1N	229615763	LLFVOVAYGVJUGN-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCCCCCN[C@@H]1CCC[C@@H](CC(C)C)C1	230766322	JYKHJXPUPGXZQE-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC(C)SCc1cc2ccc(Cl)cc2o1	258020365	MIPFXAHOZWLZGZ-UHFFFAOYSA-N	240.755	4.728	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)c1ccsc1	300989386	VPUUBIIFNNBEJQ-GXTWGEPZSA-N	239.428	4.615	0	10	BJAE	
Cc1sc2cccc(Cl)c2c1Cl	307301893	MIVBCZWQGKEIKY-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCCC[C@H](CC)NCCC1(C)CCCC1	309302329	YNGOJBPESBOEBV-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)C[C@@H]1CCC[C@H](C)C1	310125597	JCDHHRUDIURALP-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)C(=O)CC1CCC(C)CC1	310243861	MLFQAAMJVXWJDX-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CCCCF)C[C@@H](C)C(C)(C)C	310273186	DVUOSMTVCKOQNA-ZIAGYGMSSA-N	245.426	4.567	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC(C)(C)C1)c1cccc(C)c1	310613981	ADPHHIQIAUXNHF-HZPDHXFCSA-N	245.410	4.614	0	10	BJAE	
CCC[C@@](N)(CC1(C)CCCC1)c1ccccc1	311045808	PUGUPKLSXUZWHK-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)c1ccc(C)cc1	311061977	ITEJPEJUSGUAKT-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCc1ccccc1C(=O)[C@H]1CCCCC1(C)C	311062745	KFUBFSQXNFWHFX-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CCCC12CCCC2	328262204	LPXOZMCEBNINGJ-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1CCCCC1(F)F	382080090	HXZMHDZPEVAOSY-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCCCCC(C)C)C1	383140747	FKUIVNOIBMXQMN-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(O)CCCCC2(C)C)C1	383641701	ZZZMVCPAGSCJCF-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)[C@@H]1C[C@H]1CC	387823943	UEEVYFNERSFAJW-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CC[C@](O)(c1cccc2ccsc12)C(C)(C)C	395494807	XUBGEROXPUICSR-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCc1sc2cccc(SC)c2c1CC	396170324	NGKDAASPXZOTQH-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCOc1ccc(CC)c2sc(Cl)cc12	396193138	SGHPSARUZLNWGJ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CSc1cc2cc(C(F)F)cc(F)c2s1	396244525	NVOSAPJJBTZFES-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC[C@@H](C)c1ccc(OCCCC2CC2)cc1	405956307	KUVQPKRRHSDMEC-CYBMUJFWSA-N	232.367	4.769	0	10	BJAE	
Clc1ccc2ccn(CCCC3CCC3)c2c1	688856598	BHHDJJWZYZGPNG-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CCCCC[C@@H]1C(C)C	691103984	NBCMIPXNEIRQQO-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1Nc1ccsc1	691148880	KXGMISDYWQOBKM-ZIAGYGMSSA-N	237.412	4.765	0	10	BJAE	
Cc1ccc(O)cc1NC(CC(C)C)CC(C)C	692290564	SVPMVMVFDHYESZ-UHFFFAOYSA-N	249.398	4.573	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)[C@H](C)C1CCC1	692692587	JGHBQHPOCWNZEY-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@@]12CCCC[C@@H]1C2	693564508	GRVIVJYLVKPWJV-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C(=O)c1cc2cscc2s1	694361777	REXHFGQKMCOZEM-QMMMGPOBSA-N	238.377	4.582	0	10	BJAE	
CC(C)CC(=O)[C@@H](C)c1ccc(CC(C)C)cc1	695074241	OETNAOCWOZLJTP-AWEZNQCLSA-N	246.394	4.604	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)C2CCC3(CC2)CC3)C1	695627279	UYXSGSFYLYVMPS-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC[C@@H](C)CC)CC1	696162767	QFOKOVWHJWMIAT-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1C[C@@H]2C[C@@H]2C1	698032239	KYMTZYDVVPNSAA-RBVVOMGSSA-N	244.378	4.543	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCCC[C@]2(C)O)CC1	699659287	APMMWYBLZCFEKD-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@@]1(N)CCCC12CCCCC2	704433950	BUXPKWYZFFYTHI-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CCCC2(CC2)C1	704604087	DNRLOLFMHPFNHD-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1cccc2ccccc12	704838308	DLPIWIKHDSIJQV-QGZVFWFLSA-N	239.362	4.586	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@@H]1CCCC[C@H]1C	704844714	MVFZBLIIHAPIIC-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@H]1CCCC12CC2	706283591	JRJARVLBUWLGLL-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1NCC[C@H]1CC=CCC1	706867047	GRPJHCPYUPYYNC-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)[C@@]12CCCC[C@@H]1C2	709131421	OLYBKEWYVAAAPU-IOASZLSFSA-N	247.357	4.515	0	10	BJAE	
C[C@H](C[C@@]1(O)CCCC(C)(C)CC1)C(C)(C)C	710734412	DUNALHUNUIZJEU-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
C[C@H](C[C@H](O)c1ccccc1C1CC1)C(C)(C)C	710787227	NNZDENZCWJKDEZ-WBMJQRKESA-N	246.394	4.670	0	10	BJAE	
CC[C@H](CC(=O)CC1CCCCC1)C(C)(C)C	711186700	NJQRGFOMLFAWBY-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
C=C/C=C\CC[C@H](C[C@H](CC)C(C)(C)C)NC	713671349	BOBXCZGDDKWLEQ-VUFKQPGHSA-N	237.431	4.559	0	10	BJAE	
O=C(CC1CCCC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714435656	QXYIXVAYLAHWGO-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc(NCC[C@@H]2C[C@H]2C2CC2)cc1	714825660	DIACMDSWMSUVQT-WBVHZDCISA-N	243.394	4.658	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C[C@H](C)CC(C)(C)C	718598930	CPWOYDLXSWFECB-DZGCQCFKSA-N	239.447	4.913	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1C[C@H]1C)NCCC	722691736	BNRBIEQWZHIGGH-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@@H](C)C1CCCCC1	829240311	NLMLQGZSYNREMH-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
C1=C[C@@H](N2CCC3(CCCC3)CC2)CCCCC1	1618122405	LJSSLDSJWVJDPR-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CCC(CC)CC[C@H](O)C[C@@H](C)C(C)(C)C	1900699384	ZKAXQGZHFUOJQK-OCCSQVGLSA-N	228.420	4.636	0	10	BJAE	
CCCCCCc1c(F)ccc(CC)c1F	1901881764	VKENSCJPUSOCRM-UHFFFAOYSA-N	226.310	4.650	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(C)(C)CC1=O	1905448374	YLKNXLSXDQLSLH-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@](N)(CC)C1CCCCC1	1910822287	QLUZKWIIUUSLSR-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC=C1CCC[C@H]1[C@H]1CCCCN1	1911841390	OJIOLTNQXWTMCY-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CC=C1CCC[C@@H]1[C@@H]1CCCCN1	1911935178	YOUQOEFFEVLRKX-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1CC[C@H]2CCCC[C@H]2C1	1912075280	SAYDEHJFZZANGW-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCCC1(C)CC1	1919969419	JEDQXXDCJRYMEJ-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@@H](C)C1CCCC1	1924103176	FPJHWXGERVMRIB-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C=CCCC1)C1CCCCC1	1924109990	WJCONTHBZONNLZ-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCc1cscc1C[C@H]1C=CCCCC1	1925816944	LOPOVQDHKQORAQ-LBPRGKRZSA-N	220.381	4.599	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@@H]1C=CCCCC1	1925890880	HOQWAAFSPFMBKP-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)c1ccsc1	1925934892	OMWILJLGTZYPCD-UKRRQHHQSA-N	249.423	4.535	0	10	BJAE	
Cc1ccc(C[C@H]2C=CCCC2)c(Cl)c1	1932602953	YUZLDMHNXMPQJT-LBPRGKRZSA-N	220.743	4.547	0	10	BJAE	
C1=C[C@H](Cc2sccc2C2CC2)CCC1	1932607270	QBVDPXFKNSRGOK-NSHDSACASA-N	218.365	4.524	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H](CCC)C(C)C	1936207012	NOBHZBZRTVGJKE-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@H](C)CC(C)(C)C	1937162775	DDXNOAZYYMLBKB-CHWSQXEVSA-N	226.404	4.700	0	10	BJAE	
CCCC[C@H](N)CCC1CCC(C)(C)CC1	1939109690	GBNSDXBQZKLCII-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H](CC)C(C)C	1941264822	OUGUQHSBCUCPFZ-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CCC1=CCCCC1	1941267944	YQDNXVLECLFHJR-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C(C)C)[C@H](CCC1CCCCC1)NC	1941269566	SCCBRPQJTXDGBO-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CCCC1CCC1	1941461828	AWQFTPCVVRJXOF-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCCCC[C@]1(F)CCCCC[C@H]1N	1943936891	KWXXICUNMHSSJJ-CABCVRRESA-N	243.410	4.593	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc(C2(C)CC2)c1	1944600990	YVXDCWHZAHWZPG-CYBMUJFWSA-N	231.383	4.729	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C(C)(C)C1CCCC1	1944800158	WRWQPZLKGOSMQD-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CC[C@H]2CC[C@H]1C2	1947119927	GBQHWTBWMRIZSR-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC[C@H]1CCC	1947455120	SGMRSOQLFBDLOP-XHSDSOJGSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](CCCC1CCCC1)NCCC	1948435628	NLJFLJGCJZWXEA-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)CC1CC2(CCC2)C1	1949732719	FXEGJYOQYXYUCV-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C1CCC(CC2(O)CCCC2)CC1	1949833764	KHGRKXQYVTXXHC-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC[C@H](N)CC1CCCCC1	1949915414	HRSWPGIJFVNALD-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CC)N[C@H](CC)C[C@@H](C)CC	1963228751	KYCIXEGCVTXPQG-SOUVJXGZSA-N	227.436	4.760	0	10	BJAE	
CCc1ccc(NCC[C@H]2CCC[C@@H](C)C2)cc1	1968314037	OCMVTGLNXNYMLT-GDBMZVCRSA-N	245.410	4.877	0	10	BJAE	
CC(C)C[C@H]1CC[C@@H]1NC1CCC2(CCC2)CC1	1973043740	RAVFJZBPBQWINZ-ZBFHGGJFSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(NCCC23CCC(CC2)C3)CC1	1973946065	UJGVQNICVHUDLQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)C[C@@H](O)c1ccccc1Cl	1980683163	ZSFCZTWZIYHROZ-CYBMUJFWSA-N	240.774	4.590	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@H](C)CC(C)C	1986944113	OUYANZGHWJMFBV-HUUCEWRRSA-N	228.420	4.636	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H](C)CC(C)C	1988780167	HQOBRBRYNDOHSG-CABCVRRESA-N	225.420	4.523	0	10	BJAE	
CC[C@H](C(=O)c1cccc(C)c1Cl)C(C)C	1994172261	PLCJLFGBVFJSPA-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
Cc1cc(F)c(Cl)cc1NCCCC(C)C	1995048822	UJAPHGPLJJVZPW-UHFFFAOYSA-N	243.753	4.636	0	10	BJAE	
CC(C)c1ccc2occ(C(C)(C)C)c2c1	1995464183	QXSWKRTXYHTYBK-UHFFFAOYSA-N	216.324	4.854	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC[C@@H](C)C(F)F	1996095663	WKPRGHAJFRPAPR-VXGBXAGGSA-N	248.357	4.699	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@H]1CC[C@@H](C)C1	1996262709	GEMZICZJNHSGDD-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1(CNCC)CC(C(C)(C)C)C1	1998241182	RDUXJIHCXJXYAW-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC1CC(C)(C(=O)C[C@@H]2CCC=CCCC2)C1	1999978971	KUYXJTSTPRCURK-NPCAHTBFSA-N	234.383	4.518	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)C[C@H]1CCC=CCCC1	1999993194	KKUOTYOWLANNSQ-LSDHHAIUSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@]2(O)CCCC(C)(C)C2)C1	2000023932	LETXDPAADKBUDL-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C(=O)C2(C(C)C)CCC2)CC1	2000195279	PSRNRAKDCNRTSM-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1(C(C)C)CCC1	2000197156	UCMOHULHJHVPKI-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@](C)(CCC=C(C)C)CNC1CC1	2000511346	COOWAHPMHMERQK-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)CCC(C)(C)C1CC1	2000912565	CEZBPBFOMJQMQA-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C(=O)C[C@H]1CC12CCCCC2)C(C)C	2001253858	KJFAKMGDEUQPMW-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2003014749	BWHQCPJDQRMLHW-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H]1CCCCCCC[C@@H]1O	2003117610	OHZGZJIRQIQAND-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC[C@](O)(C[C@H]1CCCC2(CC2)C1)C(C)(C)C	2003208631	OXVHSZUDXGACLB-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](C)(CN)CC1CCC2(CC1)CC2	2003210323	CYLYSRXQOBHHSB-OAHLLOKOSA-N	237.431	4.502	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@]1(C)C=CCC1	2003328866	GWUUXWBRZJEPFU-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCCCC(C)C)c1ccco1	2003686666	XKHJGXOGXHDEBX-AWEZNQCLSA-N	237.387	4.537	0	10	BJAE	
CC(C)=CC[C@@H](N)C1CCC(C(C)(C)C)CC1	2004224669	DLUMCLYSIANBKF-YMAMQOFZSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H]1CC(C)(C)CC[C@@H]1CC=C(C)C	2004226479	HXGFJNCUYOYUCK-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC/C=C/CNC1CCC(CC)(CC)CC1	2004337456	RJVCBYCTHZDBKL-CMDGGOBGSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC(C)(C)CC)CC[C@@H]1C	2006957501	NBBWMCHUFCDZBW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(F)(F)CCC(=O)C1(C)CCC(C)CC1	2007681637	NZZHDPHFBVPVRZ-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)C1(C)CCC2(CC2)CC1	2007699848	ZMVUAZOZFIITDT-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C(=O)CC2CC(C(C)C)C2)CCC1	2007765166	FMEITIISRAGRDS-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](N)[C@@H](CC2CCCCC2)CC1	2009404476	NUUOTZCJNQCXRR-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC[C@H]2CC2(C)C)CC1	2009405264	WXBZDJMYVPZPBM-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@H](NCCC)C(C)(C)C(C)C	2009630356	WBBVSRJHCHTJTN-HNNXBMFYSA-N	239.447	4.783	0	10	BJAE	
CCCC1CC(N[C@H]2CCC[C@H](CC)CC2)C1	2009714133	LSXPQYIBFSHBRZ-UIDBIOKJSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCC[C@H]2C[C@H]2C)CC1	2011571452	FOFGHERJOQWZLC-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C(=O)CCCC1C[C@@H]2CCC[C@H]2C1	2011949032	YZJPUYJQNHUCBQ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@@H](C)CC)CC(C)(C)C1	2012042504	VJCMQMNBLJQYKJ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCC(C)(C)C)CC(C)(C)C1	2012063858	SRECTCPIFSEENL-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(C)cc1C	2013264432	MYYVXQUVNKUPBX-HNNXBMFYSA-N	233.399	4.930	0	10	BJAE	
CC1CCC(C[C@@](C)(O)C2(C)CCCC2)CC1	2014327369	XVDIUQAVIFHNPZ-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@@](C)(O)C[C@@H](C)C(C)C)CC1	2015290641	LZLYNNLFJSIOJK-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@@]1(N)CCCC1(C)C)C(C)C	2015348862	ZFTZEXMYBOKGJZ-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1(CC2CC2)CCC1	2015749566	OEHQZTQKJLBREO-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CSc1cccc(N[C@@H](C)CCC=C(C)C)c1	2016134844	BORQGMJGEKXEBF-ZDUSSCGKSA-N	249.423	4.955	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CC1(C(C)C)CCC1	2017145928	NPTAAALZFPFAPJ-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCCc1ccc(NCC(C)=C(C)C)cc1	2017431467	TYHHPFXJUFQYDJ-UHFFFAOYSA-N	231.383	4.797	0	10	BJAE	
CCC[C@](O)(C[C@H]1CC[C@H](CC)CC1)C1CC1	2017652417	GOZLVEZQTQIDEJ-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H]1CC[C@H](CC)CC1	2017652738	KIPLTSDBJOSQHW-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@H](NC)C(C)(C)C)CC1	2017729347	VXTVAYWMNATERD-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)C2(C)CCC2)CC1	2017775879	HZCSCHZNCAIBHA-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)C1CC2(CC2)C1	2018129495	CWGHSMHIIFROSX-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@@H](C)CC(C)(C)C	2019200049	NKYZSFZBERJOEF-RRFJBIMHSA-N	239.447	4.712	0	10	BJAE	
CCCN([C@H]1CCC12CCCCC2)C(C)(C)C	2019258864	RXRRKXKZYKGAPB-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H](C)N1CCCC[C@@H]1C1CCCCC1	2019306545	XVSOFEAOJCGVLD-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
Cc1csc(CNc2ccccc2C2CC2)c1	2021027302	VOYJJEWPNPZPLO-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1C[C@@H]1C1CCCCC1	2022413228	CKDLQSNGUNUBCJ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)c2cc(C)c(C)s2)C1	2023991378	MLKARTAFNZRNIL-RNCFNFMXSA-N	248.391	4.540	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)C2(C)CCCC2)C1	2024096079	UJOLQLJARDDCGZ-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC([C@](C)(F)c2ccc(N)cc2)C[C@H](C)C1	2027936342	OLNIUOZRDUPDOP-XHBSWPGZSA-N	249.373	4.526	0	10	BJAE	
CCCc1ccccc1[C@H](O)[C@@H](CCC)C(C)C	2028232731	PNADYADNDIFJLV-DOTOQJQBSA-N	248.410	4.745	0	10	BJAE	
Cc1cc(C)c([C@H](N)[C@@H](C)CCC(C)C)c(C)c1	2029825526	QIMQJQMLCMNENZ-SUMWQHHRSA-N	247.426	4.684	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2030228508	BBINEUHFZHSFCF-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)C1CCC(N[C@@H]2C=CCCC2)CC1	2030344534	CGHXBYZARPSPHR-HWOWSKLDSA-N	249.442	4.680	0	10	BJAE	
Cc1ccccc1C(=O)[C@]12CCCC[C@@H]1CCC2	2031853282	VKFBQAAWARYHTA-PBHICJAKSA-N	242.362	4.538	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)[C@H]1CC12CCC2	2032130771	COUDGFRDAHHBBY-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](NC23CCC(CC2)C3(C)C)C1	2033413001	PHKQXXNZMNKVEC-BOLLXYOYSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCCC2)CCCC[C@H]1C	2035597306	BVKZGPGBLADUTN-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCC/C=C/CN[C@H](C)c1ccc(CCC)cc1	2036762685	DZJLBNUSJLNAED-MVGZEHJDSA-N	245.410	4.646	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C[C@@H]1CC=CCC1	2037167212	QTFUZVGGKLWPFV-ZMSDIMECSA-N	247.426	4.587	0	10	BJAE	
CCCN[C@@H](CC1CC1)[C@H]1CCC2(CCCC2)C1	2037594373	RTZCXARRJBYIEY-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)[C@@H]1CCC2(CCCC2)C1	2037688951	BWLBSTVOOYWQMD-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@H]2C=CCC2)CCC1(C)C	2037867283	VRYDFNCYKDLTSQ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CC2CC3(CCC3)C2)C1	2038083848	UGCYQRJJIPGXMF-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](N)[C@H]2CCC[C@H](C)CC2)c1C	2039369337	IOSKPQKVZMZABG-YLQAJVPDSA-N	245.410	4.520	0	10	BJAE	
CN(CCC1CCCC1)[C@@H]1CCCC2(CCC2)C1	2041294248	VIYZSNGEVBATIQ-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@H]1CC=CCC1	2042019773	QZJWZLALFXAQAL-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2042344407	GKSABLVQXPLOGH-VVLHAWIVSA-N	249.442	4.680	0	10	BJAE	
Cc1cccc(F)c1NC1CC(C)(C)C(C)(C)C1	2042386423	UNFRQSFPSQCMSQ-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)C1(C(C)C)CC1	2045327027	SFDNFXBIHMDPFT-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](NCC)c2ccc(C)cc2)CCC1	2045799808	PEEXDFLPUIBABC-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
C1CCC(CCCN[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048380892	KLLDBECODKOIKW-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@H]1CCCC(C)(C)C1	2049491519	ZZFZXLVHZUGRBS-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)c1cc(C)c(C)o1	2049804419	MPOZMPMEPXEQDM-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@H]1CCC2(CC2)C1	2049867310	UEHQLDLSBBYHTB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]([C@H]1CCCC(C)(C)C1)[C@@]1(C)C=CCC1	2049993140	UIMBNZBVULZCDR-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
Cc1c(Cl)ccc(C(F)(F)F)c1C(F)F	2054894000	LENYYYXMFLWUPQ-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2055226739	MZEWIRRGWIIBSP-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)CC1CC(C2CC2)C1	2056640597	QXGIULREMDTNRR-PUJMQQBBSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2CC(C3CC3)C2)C1	2056666003	LCACCIWTVZHAMG-XCAIRMDXSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CC1CCCCC1	2056883928	TWFGTVAJYLEFOX-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
NC1(C=C2CCCCC2)C[C@H]2CCCCC[C@@H]2C1	2056913158	ZCPFVMWVTGXCLI-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1CCCCCCN1[C@H]1CCC2(CCCC2)C1	2057104136	XGPMUVMDGIOMPU-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CC[C@]23CCCC(C)(C)C3)C1	2058156179	PANXJXLAAMABCA-VYDXJSESSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)C1(C)CCC1	2061083296	BJGKCHLPBYMKFJ-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC1CCCC1)C1=CCC(C)(C)CC1	2061139262	DIRVAMUDUHXBGX-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@H](NC)C(C)(C)C2CCC2)CC1	2061139853	ITMRQLYHXLBEMY-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC[C@]12CCC[C@@H]1C2	2061606276	KONLWGVXUHRJTA-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@H]1C)c1ccccc1	2062640355	CDDAPCLJKFQCGJ-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H]1c2ccccc2NC[C@@H]1C	2062640598	DJAQSZMYGHJTEJ-QPSCCSFWSA-N	243.394	4.658	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C12CCCC1CCC2	2063822846	WZPCTFZUZMMEEU-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NCC12CCCC1CCC2)C1CCCCC1	2063903852	ZMXJUZGQZOTVMY-ODIFPOPNSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1CC2(C1)CC2(C)C	2063995834	AXPTYAJZAJGCSU-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CC1(CN2CCC3=C(CCCC3)C2)CCCCC1	2065850992	UZTYABWNYQCION-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
C[C@@H](N(C)C[C@@H]1C=CCCCC1)C1(C)CCCC1	2067600099	BSUZQIVDSMLGGA-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CCC1(C[C@](O)(CC)c2cccc(C)c2)CCC1	2069284818	LCNBQENJPNXFBI-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H]2CCCC23CC3)CCC1	2069344066	GVRAZTUSVZZVED-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C1(CC(C)C)CC1	2069522195	UXHUPZHJFJOLOM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@@]12CCC[C@H]1C2	2070791186	UQFGBQQYFOAOJF-GUYCJALGSA-N	243.394	4.586	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@]23CCC[C@@H]2C3)CC1	2070959593	QKMCVMJADNHKMG-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@@]1(C)C[C@@H]1C	2070969127	YLXCFCLPXKCKDU-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CCC=CCCC2)CCC1	2071941324	SCOXCKHGHLHEBW-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC(C)=C(C)CN[C@@H]1CCCC2(CCCCC2)C1	2072412245	AIFQXGAWWGTBPP-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC[C@@](C)(NC[C@@H]2CCC3(CC3)C2)C1	2072601957	DOLAVLWVGDRROU-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@@H]3CC[C@@H]32)CC1	2072801765	QQBZQDDIHXUHII-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCCC23CCC3)CC1	2072807069	RNZSPJMLWSFKIC-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)C1(CC2CC2)CC1	2074642278	SKUCVKXMYIFAOV-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN(C[C@H]1CCC[C@@H](C)C1)c1ccc(C)cc1	2074855729	CBMOCOYVKGEJSF-CVEARBPZSA-N	245.410	4.648	0	10	BJAE	
CN(CC1=CCCC1)[C@@H]1CCC2(CCCCC2)C1	2075173829	ZPYORJMFDXUBFM-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CCN(C[C@]12CCCC[C@H]1C2)C1CCCCCC1	2076548162	BWVHIHHEPPFBNV-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC[C@]1(C)Nc1ccc2ccccc2c1	2076670397	UYYYHMOLMIQFQG-KRWDZBQOSA-N	239.362	4.830	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2079492584	RQHVRMZMHLDKHQ-HZPDHXFCSA-N	248.410	4.908	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2C[C@H]2C(C)(C)C)c1C	2079850289	DURBTTUGQMCKJL-DZGCQCFKSA-N	244.378	4.558	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCC[C@@H]2CCCC[C@H]21	2081139119	AAHJUFUDFBHOBV-ZMSDIMECSA-N	243.394	4.766	0	10	BJAE	
CCN[C@H](C)c1ccc([C@H](C)CC)cc1Cl	2210788188	QMTYOYJPKVTGCX-GHMZBOCLSA-N	239.790	4.524	0	10	BJAE	
CCC[C@H](CN[C@@H](C)CC)CC(C)(C)CC	2212591110	ZEHAVFMGLHRWFP-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CCCCCCC1CC1	2213578719	OXQQLKGCAZTSIX-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CC1(CCC(=O)CCCCCCC2CC2)CC1	2213582111	DQEJVVRNKXVEKE-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCC1CC(F)C1	2215040997	QSRQXYRAETYRPW-ROKHWSDSSA-N	242.378	4.546	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)c1ccc2sccc2c1	2215114066	OMGRSDMBTHTFHT-MNOVXSKESA-N	244.359	4.520	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@@H]1CC)CCC(C)(C)C	2215249295	MHOANLHJDNBCGH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H](CCCCCCCC2CC2)CN1	2216892421	IYTXMQYYVXXCBD-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCCCC1(CN[C@H](C)CC)CC2(CC2)C1	2217153842	OVHGIMDDANJMJP-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CCC1CCCC1)CN[C@@H](C)CC	2217154187	RIVLQMJYDDKGKG-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
N[C@@H](CCCC1CCC1)C1C[C@H]2CCC[C@H](C1)C2	2218344481	VUZKPGPVMVMXDV-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=Cc1ccccc1)CCC(C)C	2219072129	SAYDLGJAZUPJJR-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
C[C@H](CC=Cc1ccccc1)CCNC(C)(C)C	2219093061	XJQHBMKXENANDC-OAHLLOKOSA-N	245.410	4.504	0	10	BJAE	
CCC[C@H](NCC1(C)CC2(CCC2)C1)C1CCC1	2220936875	UOVGZCPIUVLWDW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@]1(CC2(C)CC3(CCC3)C2)CCCN1	2221013656	MDODYXCCQBXSIR-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(N[C@@H]2CCC23CCCCC3)CC1	2221596078	ABGANMICVMFXEF-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@@]1(C)CC=C(C)CC1	2221623857	MDXADYJGDUMASW-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)CC2CCC(C)CC2)CC1	2221630919	LAAGKXNAIALWGO-OKEQZYBDSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H](C)c1ccc(C)cc1	2223964555	VTPZQQNPJJVOIU-NVXWUHKLSA-N	247.426	4.657	0	10	BJAE	
CCC[C@](N)(CC)CC[C@@H]1CCC[C@H](C)C1	2242814768	BNMFPQIYLSATRD-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNc1ccccc1Cl	2243029431	DRJJODYZOLZTNO-RYUDHWBXSA-N	237.774	4.578	0	10	BJAE	
CC1CC(C)(C[C@@H](N)C2CCCCCCC2)C1	2246455609	ZPMJMVOVSGOPNS-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@](C)(O)CC(C)(C)C)C1	2246687102	LWTXOCAUEDTVOC-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CCC1(C)C)CC(C)(C)C	2247401872	XKBWCFFSRIRATB-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCCCCCN(C)CCCCC[C@@H]1C[C@@H]1C	2248839038	BUVZPZNGDAEZSQ-JKSUJKDBSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CCCCC[C@@H]1C[C@H]1C	2250371472	LLEQVKBFPJZEHL-QKPAOTATSA-N	240.431	4.780	0	10	BJAE	
CC1=CCC[C@]1(O)CC[C@@H](C)CCCC(C)C	2250496060	OGCMBSGPCYHFLG-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H]2CC23CCCC3)C1	2253925762	WHJDHPBXAJWIIC-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(CN)CC3(CCC3)C2)C1	2253938006	KKKFLRKFRKGEEF-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(CN)CCC=CCC2)C1	2253938642	MWTCHNKCNIPPJH-HZPDHXFCSA-N	249.442	4.668	0	10	BJAE	
CC1CC2(C1)CC(N)(C[C@H](C)C1CCCCC1)C2	2254145270	BGRZKIFIABHQCS-ZFBLFJJNSA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC1(CCCC[C@H]2C[C@H]2C)CC=CC1	2254592557	GOBOZQFQGHQYPR-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H]1CN[C@@H]1CCCC2(CCCC2)C1	2254982104	WTJNJYUIBMPZFK-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1CC1(N)CCC(C2CCC2)CC1	2255027791	WNMJTFLXTACDRG-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1CC1(N)CCC2(CCCC2)CC1	2255028352	OIXZYFPFDUXMJH-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CCCCCC1CC(N(C)CC2=CCCCC2)C1	2255093709	HKVNWPTVPVGXPS-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)CC2=CCCCC2)CC1	2255144191	RKGQRPIAIVIARM-QGZVFWFLSA-N	247.426	4.555	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCN1CCC12CCCCC2	2257309094	YBJFUFJTQINHBE-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(F)c(NCCCCC[C@H]2C[C@@H]2C)c1	2257320416	IRCQHASEBQRTLP-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
CC(C)(C)c1cccc(NC2C[C@@H]3CC[C@H]3C2)c1	2257869384	LCSYRBZPWCPQLN-STQMWFEESA-N	243.394	4.585	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2C[C@@H]3CC[C@@H]3C2)c1	2257869385	LCSYRBZPWCPQLN-YWVIFJGQSA-N	243.394	4.585	0	10	BJAE	
CC(C)(C)c1cccc(NCC2(F)CCCC2)c1	2257878039	IVESBJAHESXJMN-UHFFFAOYSA-N	249.373	4.678	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2CC[C@H]2C2CC2)c1	2257905323	AAMFESLAUJTHFU-HOTGVXAUSA-N	243.394	4.585	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC(C)(C)c1ccccc1	2259446526	ZQXSQRFUKCBGPL-GDBMZVCRSA-N	247.426	4.508	0	10	BJAE	
O=C(CCC1CCCC1)C[C@]12CCCC[C@@H]1CC2	2260579863	UFMUNGRUHZHJTP-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@]12CCC[C@@H]1CC2	2260599056	DCIOGMALVGISEQ-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC([C@@H](N)C[C@H]2C=CCCC2)C1	2261202489	QTWYXZYVXYAGQJ-LBDPXKHJSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@@H](C[C@@H](C)CC1CCC1)NCCC	2298942274	KCLGAAKSXDFISA-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@H]1CCC2(CC2)C1	2300471168	GYIGIPLLDGRDAI-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CC=C(C)CC)CNC(C)C	2300861005	MTXVFBXDLSEZRC-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCC(C)=CC[C@@H]1CCCCCCCC[C@H]1N	2300900176	VNXPYJACAJENFE-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
CCC(C)=CC[C@]1(N)CCC[C@H](C(C)(C)C)C1	2300902655	WZWFIJUPBUHUSK-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC=C(C)CC)NCCC	2300909309	MTPHGJMDDFWGTQ-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CCC[C@H](C=CC=C(C)CCCC(C)C)CN	2300928106	BPJFWPNXRRODPQ-MRXNPFEDSA-N	237.431	4.690	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)CC1CCCCCC1	2301144875	IOBVIXZCDODXRX-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)[C@@H](N)C[C@@H](C)CC(C)(C)C	2301843716	LKJAQENLQJIJGO-TUVASFSCSA-N	241.463	4.704	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@@H]1CCC[C@H]1C(C)C	2301898177	XKIONVRBSCNTTA-ZQDZILKHSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)C[C@H](C)C1CCCCC1	2301916378	BUFURYRWYSYXNM-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N[C@]1(C)CCCC(C)(C)C1	2301965366	SMIPEUMSULZBJP-SQWLQELKSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)[C@H](C)C1CCCCC1	2301970956	JXCWTXPXUWBMLJ-RRFJBIMHSA-N	239.447	4.568	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC[C@]2(C)CCCCN2)C1	2302617331	HOWGNGBNGNDEGD-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@H]1CCC(C)(C)C1	2302709116	FIWRDMQMCIGZFE-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@H](CC)C(C)C	2307895566	QSGKKOMWTKNORS-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1CCCCC1(C)C	2307904487	SYDZPFXIAAVYBR-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCC[C@@H]3CC[C@@H]32)CC1	2309518620	YDXSCOPEEPQOQS-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1C[C@@]12CCCC[C@@H]1C2	2311146289	OSYMOUDQFIFVRU-VVLHAWIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)[C@@H]1C[C@H]1C1CCCCCC1	2311525518	VEFCTEFWTALWEX-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C(CC2CC2)CC2CC2)C1	2313606604	UAGKLQRKCUBBGV-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1ccc(C)c(CC)c1	2314702209	KFDXPZKEAGWICL-QGZVFWFLSA-N	248.410	4.807	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2316503113	OHDVEQUJLVSLKV-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCCC1CC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316696779	IJELGKKDYXSPOI-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316872494	BZPCNHMKCYBZFK-AYMQEEERSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(NC[C@@H]2C[C@H]3CCC[C@H]2CC3)c1	2317003805	KYYGQENXWNRDTI-JYJNAYRXSA-N	243.394	4.623	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](C)[C@@H](C)C(C)C)cc1	2317833124	ZOHFGOMGGXINDF-KBPBESRZSA-N	246.394	4.750	0	10	BJAE	
COc1ccc2ccn([C@@H](C)[C@@H](C)C(C)C)c2c1	2317987514	ZBVUCCBHOGXIQS-STQMWFEESA-N	245.366	4.503	0	10	BJAE	
O=C(CCCC1=CCCCC1)C[C@@H]1CC[C@@H]2C[C@@H]12	2318504027	UIJQVSWWXIGRBD-UXLLHSPISA-N	246.394	4.662	0	10	BJAE	
C[C@H](C1CCCC1)N(C)CCCC1=CCCCC1	2318596708	CJYXQKDZUFZJQH-OAHLLOKOSA-N	249.442	4.778	0	10	BJAE	
CN[C@H](CCCCC1CC1)CC[C@]12CCC[C@H]1C2	2318874838	KLVZFTBQPQZEHQ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CCC(=C[C@H]2CCCC[C@@H]2N)CC1	2319196601	FNWNGQHLYQVDGJ-TUOGLVOQSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](NC2CC(C)(C)C(C)(C)C2)CC1	2320407078	WWKKGPQRQWGRBD-CQSZACIVSA-N	249.442	4.680	0	10	BJAE	
CCc1cc(F)cc(NC[C@]2(C)CC=CCC2)c1	2321084344	XCPMHLAGOZHWTP-MRXNPFEDSA-N	247.357	4.546	0	10	BJAE	
CCC1CCC(Nc2ccc3[nH]ccc3c2)CC1	20011735	GPRBROGGMMTFSQ-UHFFFAOYSA-N	242.366	4.549	0	10	BJAE	
CCC(CC)[C@@H](N)c1ccc([C@H](C)CC)cc1	21011551	JDZSFEIULDIBIX-MLGOLLRUSA-N	233.399	4.636	0	10	BJAE	
Fc1ccc(Sc2ccccc2Cl)cc1	39020410	SZLNADDLAWLXHO-UHFFFAOYSA-N	238.714	4.630	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1nccc2sccc12	69234752	WHAYLUPKHUZMKG-LLVKDONJSA-N	248.395	4.533	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cccc(F)c2C)C1	71120869	ZXSYWLSHLWEAGI-QWHCGFSZSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)CC(C)C	82441833	VJIJYWWRWVHPSK-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCC[C@H](CC)C1	82847439	BWOZHWSEAHCSDC-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@H](C)n1c(CC)c[nH]c1=S	88146325	IGXQEORIQRFANO-NSHDSACASA-N	240.416	4.639	0	10	BJAE	
CC(C)(C)[C@@H](O)c1ccc(Cl)c2ccccc12	93656954	WMDMQLAKPAZHFC-AWEZNQCLSA-N	248.753	4.573	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)c1ccoc1	94984358	GMIOAMFUDYBYIC-ZDUSSCGKSA-N	237.387	4.537	0	10	BJAE	
CCCN[C@H](CCC)c1ccc2ccccc2c1	103951584	SAAMHXZBZJFTTA-QGZVFWFLSA-N	241.378	4.681	0	10	BJAE	
CN[C@H](c1cccc(C2CCC2)c1)[C@@H](C)C(C)C	133572330	MXNBNFLWYAKUJZ-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
C=CC[C@@H](CCCCCCCCCC)C(=O)O	146419087	QGZQBIKBSZXZEX-AWEZNQCLSA-N	240.387	4.794	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@H](C)C1CCCCC1	149407376	YFRFOKLXVIEVLU-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(-c2cccc3ccsc23)ccc1O	156850083	RMRVBSTZJICTEP-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
Cc1ccc([C@H](O)CC2CCCCCC2)c(C)c1	162135366	RVBDGOGHUNDCKZ-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H](c1ccccc1)C(C)C	163848363	ULBIVAMDDVNSAX-HYVNUMGLSA-N	245.410	4.552	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@H]1CCC[C@H](C)C1	165371198	LOEMVGAZOLPAKD-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
C/C=C\C=C/CCCCCCCCCCO	223901421	ZHBBYNQMCOFBFC-LDIADDGTSA-N	224.388	4.622	0	10	BJAE	
CCC[C@@H](C)C(=O)c1cccc2ccsc12	229329272	VOAVWCCUQSNNKJ-SNVBAGLBSA-N	232.348	4.520	0	10	BJAE	
CC(C)(C)[C@@H]1CNc2c(Cl)cc(Cl)cc21	232512416	LAKZHVJDTQKIMQ-SECBINFHSA-N	244.165	4.549	0	10	BJAE	
CCCC[C@@H](CC)[C@H]1CNc2ccc(C)cc21	232996643	KLDONKFECUTDOD-UKRRQHHQSA-N	231.383	4.721	0	10	BJAE	
CCC[C@@H](C)C1(CN)CCC(C(C)(C)C)CC1	233273467	HUHSMZNFUHLLHZ-VQCLRJIVSA-N	239.447	4.604	0	10	BJAE	
C[C@H]1CCc2cc(C3CCCCCC3)ccc2N1	235707438	FMPOGYQSTAZVAZ-ZDUSSCGKSA-N	243.394	4.871	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)[C@H]2CCCC[C@H]2CC)C1	251592020	JYNAKVVVHSBSQH-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
c1ccc([C@@H]2O[C@H]3CCCCCC[C@H]3S2)cc1	252587165	VYPDVTOQVKFMNA-RRFJBIMHSA-N	248.391	4.540	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1N[C@H]1CCC12CCCCC2	299956663	QSWYUUULYNPRFK-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](CC)(CO)CCCC(C)(C)C	300797040	DIBLUMNQMKYQCC-OAHLLOKOSA-N	228.420	4.782	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CCC2CCCCC2)[C@H](C)C1	302240230	DDBNTSKLZNVRLT-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](N[C@@H]1/C=C/CCCCC1)c1ccccc1	302332925	DGNLHSHUZZUFEA-FIRJTHROSA-N	243.394	4.616	0	10	BJAE	
O=C(CCC1CCCC1)C1CCCCCCC1	304127049	OIDLJLTXWWNTSU-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CCCC(C)(C)C)C1	304150624	PGCVDOYZDSFTRV-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C(C(C)C)C(C)C)C1	304402828	OKYVGSIWHPQCIJ-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H](CCC(C)C)C1CC1	306037752	MOZLNVWEMLGRST-GOEBONIOSA-N	239.447	4.616	0	10	BJAE	
CCc1c(Cl)cc2sccc2c1Cl	306537410	INQAHUZLKSSSLY-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CSc1c(Cl)c(S)cc2ccsc12	307270729	NECNFPQGDYDQKY-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1ccc([C@@H](NC)[C@@H](CC)CC(C)C)cc1	308087381	YETJGONIENBZAN-RDJZCZTQSA-N	247.426	4.582	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)c1ccc(C)cc1C	311188388	CRZQWQYGTGHQKS-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(O)CCCC12CCCCC2	313036308	GZUCHCIQEQMFNJ-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@@H](N)CCCC/C=C\c1ccccc1	324108777	FRQQPWJVVKPQQV-UBAGTECSSA-N	245.410	4.634	0	10	BJAE	
CC[C@H](N[C@H]1CCCC(C)(C)CC1)C1CCC1	324675304	PJYQKELWKUSTNL-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)c1csc2ccccc12	380029802	GBTOZZNLAGERHF-NHYWBVRUSA-N	247.407	4.583	0	10	BJAE	
CCCC[C@H](CC1(C)CCCC1)NCCC	380737874	RICOBOOMZVNQIR-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
C/C(=C/CCNC1CC1)C[C@H](C)C1CCCCC1	380880630	CERGOEIYYZZBQJ-GSHXUFRSSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC(CC)CC)c1csc(C)c1	381368948	IRQMMXHBTXYKFJ-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@H]1CCC[C@@H](CC2(C)CCCC2)C1	383620532	VBRHGLAKHZSAOS-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CC2CCC(C)CC2)c1	385277246	ISIVPUALCBVDRU-MWHAMWOXSA-N	245.410	4.520	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NC/C=C\C2CC2)CC1	393593694	UOLYVJNSZIKYMM-OKQSBHACSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCCC(=O)C1(C)CCCC1	394838101	XTPAELHUHICNJP-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCC1CCC([C@@H](N)CCC2CCC2)CC1	398826936	FYZAYYDKUWISRL-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](c1cc(C)cc(C)c1)[C@H](C)C(C)(C)C	399213032	VQJXASYHNDPTBO-GOEBONIOSA-N	247.426	4.636	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](O)CC2(C)CC2)cc1	401374229	XFVJBLOVSGPNJJ-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@@H](CCC)CCC[C@H]1CC=CCC1	402355260	VZGUJZXDVAFFMX-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCC1(CNc2cccc(C)c2F)CCC1	687526140	SHEYUJGQSLQKBC-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NC1CCC(C)CC1	691178883	YQTBSFOIYVUQMC-BHDPWAOGSA-N	237.431	4.514	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@H]3C[C@@H]32)cc1Cl	691263068	AIIOGGFOFWJGFZ-CORIIIEPSA-N	249.785	4.503	0	10	BJAE	
CCN[C@H](CC(C)C)c1cccc(C(C)(C)C)c1	691654023	QSWZXGFMTILAFV-MRXNPFEDSA-N	247.426	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@@H]1CC2CCC1CC2	691751748	ZQIWHKREJPHSFG-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](NC1CCC2(CC1)CC2)[C@H]1CC1(C)C	695697108	INRSAGVKPMRKIF-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](CCCC(C)(C)C)NC	696249681	NZCZMHDCWCSJFK-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCc1cccc(C(=O)CC(C)(C)CC)c1	700295984	MPWZHEPXZQYLIU-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCC(C)(CC)[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C	701046177	BIMXYLKCFMNZLN-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)C[C@@]1(CNC(C)(C)C)CC1(C)C	702167662	XVVOUKMDALVSEF-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](Nc1ccc2sccc2c1)C1CC1	705372176	CXUPOQWRWIMHRZ-HNNXBMFYSA-N	245.391	4.748	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H]2CCCC23CC3)CC1	706956762	NEYKBTAKOWFRSF-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@H](C)CC(C)(C)C	708250344	QWFQNLLYBMIJHT-ZNMIVQPWSA-N	241.463	4.863	0	10	BJAE	
CCCC1(CNC[C@H](C)CC(C)(C)C)CCC1	709080237	LTEXSKYPVSHNNI-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC1CCC1)NC1CCC(C2CCC2)CC1	710006966	XDJSGRVWGOPTFO-IGEOTXOUSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@@H](C)C(C)(C)CC)c1ccccc1	710033968	GPUGWGCWVCAWCV-HOCLYGCPSA-N	247.426	4.942	0	10	BJAE	
CC(C)CC[C@@H](N)C1CC(C)(C)CC(C)(C)C1	711252259	XHPUPYSUJQXTBQ-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](c1ccccc1)[C@H](C)CC(C)(C)C(C)C	713143838	XJAILLIKGOKEQV-ZBFHGGJFSA-N	247.426	4.656	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C(C)(C)C1CCC1	713165974	CHYLLNDFNHVVKO-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCC[C@@H](CC(C)C)C1	713169643	OWFFYKYVWMSPOB-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCNC[C@H](CC(C)(C)CC)c1ccc(C)cc1	713266031	IRQLEXXHTYHBIW-INIZCTEOSA-N	247.426	4.514	0	10	BJAE	
CCCNC[C@]1(CC(C)(C)CC)CCC[C@@H]1C	713338349	IVLULJQJHJHNLK-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C[C@H](C)C(C)(C)C	713355297	IOVISVHVWUJGRL-LBPRGKRZSA-N	226.404	4.700	0	10	BJAE	
CC/C=C/C[C@@H](CCC)c1cccc(O)c1	714543765	OXOGFOZRMQQFMQ-URWSZGRFSA-N	218.340	4.632	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@H]1CCCCC1(C)C	1171917233	VDZNETMKDWHLCF-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCOc1ccc(Cl)c(Cl)c1	1640674969	MBBIYXRAYVPQOW-ONEGZZNKSA-N	243.133	4.505	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H](CC)CC(C)C	1900696442	JVXGDURZPSYTIR-AWEZNQCLSA-N	226.404	4.844	0	10	BJAE	
CCC(CC)CC[C@H](C)c1ccc(N)cc1	1900711461	FACPEQYTLMEWDR-LBPRGKRZSA-N	219.372	4.589	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1CCCCCC1	1901061632	UQWUXYILIOPJHO-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CCC(C)C)NCC	1905435627	SLHKQTFPNKXKAX-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1cc(C)c(C)s1	1905446660	ADEQSIWHXYDSLL-STQMWFEESA-N	239.428	4.581	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@@H](C)C1CCCCC1	1909579424	DDWZKHBWAVQHGX-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1ccc2sccc2c1	1910663737	OSYDZRUZFBLMHT-ZWNOBZJWSA-N	244.359	4.520	0	10	BJAE	
CCCNCC(=CC(CC)(CC)CC)C(C)C	1911840015	PBFKJPKRSHFAPO-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CNCC(=C[C@H]1CCCC[C@@H]1C)C1CCCCC1	1911987434	JSTCBDATMGWGSX-GOEBONIOSA-N	249.442	4.539	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@@H]1CCCC[C@@H]1C	1912110330	CCLUWHMXBLJUJF-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@@H]1CCCC[C@H]1C	1912110332	CCLUWHMXBLJUJF-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C1CC2(CCCCC2)C1	1912613358	GFTVENFKQNMUQN-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)C1CC2(CCCCC2)C1	1912630472	KMCJNWGJSAWDMO-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1[C@@H](N)C[C@@H](C)C[C@H]1C	1916018331	BYSVRYXIZMVDMC-NPJQDHAYSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCC3(CCCC3)C2)[C@@H]1C	1916440908	FQEQCCOHHJKWQP-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@H]1CCCC[C@H]1CC	1919962775	WAKOEKZURMPICS-XUWVNRHRSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)c1ccc(C(C)C)cc1	1919969153	HELPGXMCAHQUML-YOEHRIQHSA-N	248.410	4.844	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CCC[C@H]1C	1919987737	OCNJXXGYCHIMSS-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
C[C@H](C(=O)CCC1CCCC1)C1CCCCC1	1924099367	KAYXYQJYUCDPLN-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H](C)C1CCCC1	1924108968	UNKBOWLFPHXLFX-RDJZCZTQSA-N	249.442	4.703	0	10	BJAE	
C[C@H](C(=O)c1cccc(C2CC2)c1)C1CCCC1	1924135381	KNEHGGRZHXFXLR-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
C1=C[C@@H](C[C@@H]2CCCc3cccnc32)CCCC1	1925830016	MIPQXULASFAHGQ-ZBFHGGJFSA-N	241.378	4.638	0	10	BJAE	
CCCC[C@H](CC)CC1(CN)C(C)(C)C1(C)C	1940300009	LXHIAXXUKMGDAY-ZDUSSCGKSA-N	239.447	4.604	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@@H](C)CC(C)C	1940790035	IRPREFQZAYXDJU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCCC[C@H]1CC1(C)C	1940848800	PJEXSBARURSIBQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@H](C)CC(C)(C)C)c1ccc(N)cc1	1940970566	KIGNRQWRQHQJLY-OLZOCXBDSA-N	233.399	4.835	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CC(C)(C)CC)NCC	1941274090	WHYFINAESSIRKV-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CCC[C@H](C(C)C)C1	1941356986	CQSMDIJTMNYYTQ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(SCCCCCC2CC2)c1N	1941574803	FUJJLECETYVITI-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCCCCC1CC1)NC	1941588064	YJUWCABQPVASAH-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)[C@@H](C)CCC(C)C	1942661531	MJGGPFVVZXPGJO-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@H](C)CCC(C)C	1942663746	VAKBGHNJGWGJDY-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCCC[C@@H]1C(C)C	1942800214	YNQCATDAFKRPAY-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)CC1C[C@H](C)C[C@@H](C)C1	1944204192	PXMCEHGIUZSRNZ-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC(=O)[C@@]12CCCC[C@H]1CCC2	1944221527	JWJNRDQETPKFTE-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@@H]2CCC[C@@H]2C)CC1	1944868929	PYFYJUQJZJZUJW-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC[C@@H](CC)CC(F)F)NCC	1948428252	FCNIUBVHIFZOCF-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCC(C)(C)C[C@]1(N)C[C@H](C)CCC1=C(C)C	1949010375	BWDVPLXPHHXNOP-CZUORRHYSA-N	237.431	4.667	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CCC(C)(C)C1CC1	1949035576	UXAUBNLDQYAZPA-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](CC)Cc1ccccc1	1963228587	JGOMGHDMBODCAP-IAGOWNOFSA-N	247.426	4.566	0	10	BJAE	
Cc1ccc(NC2CCC3(CCC3)CC2)c(C)c1	1968254965	PKXZBKCOGXBJEQ-UHFFFAOYSA-N	243.394	4.828	0	10	BJAE	
Cc1cc(F)ccc1NCC[C@@H]1CCC[C@@H](C)C1	1968366780	MXPDTLYNMLMTJA-OCCSQVGLSA-N	249.373	4.762	0	10	BJAE	
CCCCC1CC(N[C@H](C)c2cc(C)oc2C)C1	1969058196	SQRMGADAGFBNHE-LRVUVFPRSA-N	249.398	4.516	0	10	BJAE	
CC1(c2ccc(NCCC3CCCC3)cc2)CC1	1973418328	GSGSUYQSBDCRDC-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)C12CCC(CC1)C2	1973846876	DGZAGCJNUNRXAU-CIDNJEQPSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@](N)(CC)C1CCCCC1	1975999401	WJZRPISJAKJHDS-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1cc(C)c(C)s1	1989972875	IQPGSHDPFWZKPD-GFCCVEGCSA-N	238.396	4.764	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H](C)C(C)(C)C	1990094441	VZNKGKQQLOBJPN-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC1(C)CCC1	1995215364	UWHTZXVWVNHCFN-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC(C)(CC)CN[C@@H](C)C1CCC(C)CC1	1996551781	GSPPDEYRGHKOJV-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)[C@H]1CCCC(C)(C)C1	2000036646	BGOMVDJJQRWIFK-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2CCC[C@H](C)C2)CCC1	2000195000	LIASEFMTPHPRHJ-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)c1ccccc1Cl	2000292632	FBWFSOYMPVJSCS-RISCZKNCSA-N	248.753	4.515	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C1(C(C)C)CCC1	2000373966	UBIDVLVIFZQLPO-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCNCC(CC)(CC)CC[C@@H]1CC1(C)C	2000499834	OBTMNSDAUSPPSL-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@H]1CCC[C@@H](C)C1	2000904341	FWMRESJEMOTHGQ-ZBFHGGJFSA-N	239.447	4.712	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H]1CC12CCCC2	2001252423	AXNNZZFHAFNQRE-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CCCC1CCC([C@@H](C)NCC=C(C)C)CC1	2002925293	PQPYCZZVDGMGNQ-QQFBHYJXSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)CCN[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003017571	IYZHPFXOSDTMCV-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)[C@@H]1CCC[C@H](C)C1	2003023689	YPKYCBKIKFCPMG-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H]1CCCCCCCC1=O	2003073866	DXANGUAOXCYNDI-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)CC1(C)CCCC1	2003174821	IDFBDYFBMIRULY-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C(=O)CC1CCC2(CC1)CC2)C(C)(C)C	2003271838	ABGCTBXGWCMCHK-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@@H](O)[C@@H]1CCCCC12CCC2	2005592287	PDROGHKYDZPHPH-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@H](C)CC(C)(C)C)C1	2006671931	ZGBZNCGMCDDRFO-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CC=C1CCCCC1)c1cccs1	2007933934	FGTUOGHSKTVFOY-CQSZACIVSA-N	249.423	4.679	0	10	BJAE	
CCC[C@@H]1N[C@@H](C)C[C@@H]1C1CCCCCCC1	2009067481	PDNASNXIGCJQQM-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2CCCCC2)CC1	2009403313	AXFPHOSHVQBCOZ-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H](O)[C@H](CCC2CCCC2)CC1	2009408464	UKVOOWWZAJHGPI-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)C1=CC[C@H](CC)CC1	2010714042	GNIZTAMUWDXZRA-OFQRWUPVSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](O)(CC)C1=CC[C@@H](C(C)C)CC1	2010714921	SDSPRNQPJAUVPM-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCC[C@H]1C[C@H]1C	2011580484	DZPLFQIJLNMMIW-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC)CNC12CCCC1CCC2	2012155575	LRCZUTDGTSGYLQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)[C@H](O)c1sc2ccccc2c1C	2014292332	LGPVYUCFISNPBX-YGRLFVJLSA-N	248.391	4.679	0	10	BJAE	
CCC1=CCC[C@@]1(O)CCC(C(C)C)C(C)C	2015336406	QERYHWUDNPNCEL-MRXNPFEDSA-N	238.415	4.556	0	10	BJAE	
CCCC1(C[C@](N)(CC)[C@@H]2CC2(C)C)CCC1	2015644107	JKYZPEISRFLJNG-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](NC1CCCCCCCC1)C(F)F	2015811819	UYZOOFAZLHJDQU-ZDUSSCGKSA-N	247.373	4.513	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C[C@@H]1C[C@@H]1C)NCC	2016852874	URXRWPPOVVKNJL-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)C1(C(C)(C)C)CCC1)C(C)(C)C	2017132788	JKAIQVHQSLOODW-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)CC(CC)CC	2017234559	AIEPNOKEYUMSNY-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@]2(C)CCCC(C)(C)C2)C1	2017623384	PPYOARGUCYMYOF-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCCC(N)(CCC)CC1CCC(CC)CC1	2017728813	PGBWCFUFXRKPIL-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CCCC1CCC(C[C@](C)(N)C(C)(C)C)CC1	2017729570	YAMHNCAKENXDMY-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@]1(C)CC=CCC1	2018132121	RKCHJDFBICHNDP-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)N(C)[C@H]1CCC2(CCCC2)C1	2018183316	WXOHFQVDYFYSNS-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CCC1(CC(=O)c2ccc3sccc3c2)CC1	2018925023	QASINJFUJIMSNG-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)C[C@H]1CC[C@H](C)CC1	2019420193	BVYMCGZIBVTFBH-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
Cc1ccc(NCc2cc(C)c(C)s2)cc1C	2019924431	VWGIJWQUYLRBLK-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H]1CCCC1(C)C	2020972113	QZFJNVZGWDRHBM-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H]1C[C@@H]1CCC	2022389994	DUXUKMBZBLOITG-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)CCCCC(C)(F)F	2023312208	SIJWWRAJMMJCDX-GXTWGEPZSA-N	248.357	4.533	0	10	BJAE	
Cc1cc(C)c(C)c(CNc2csc(C)c2)c1	2024048352	GZIPBZAKGHHOTJ-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
C[C@H]1CCCC(=O)[C@H]1C[C@@H](C)C1CCCCC1	2024605765	OEUWDYOUVQPIIN-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C1=CC[C@@H](C)CC1	2026167112	PAJFSXJFSNPVNE-LZWOXQAQSA-N	238.415	4.700	0	10	BJAE	
CC(C)Cc1cccc(C(=O)C(C)(C)C2CC2)c1	2028108577	WEMCLDPRFDRONJ-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCC(C)(CC)[C@H](NC)c1ccccc1C1CC1	2028551217	CXXDQNIOKUWNJX-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@H](N)CCC2=CCCCC2)C1	2030230369	LUHURFNNZTYQHC-YQFWSFKMSA-N	249.442	4.667	0	10	BJAE	
CCCC1(CNC[C@]23CCCC[C@@H]2CCC3)CC1	2031804779	MTGQPMDCDZTNCN-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](CCN[C@H]1CCCC12CCCCC2)C1CC1	2032219942	MNSFCDZPOKJWSQ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](c1ccccc1)C(C)(C)C1CCCCC1	2032340745	DAGGMKIFIVJVFE-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CC1(CCN[C@@H]2CC[C@H]3CCCC[C@@H]32)CCCC1	2034267400	ZNELAARNIUAUSU-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CCC[C@H](F)C1	2034892173	RIWJZWDWHUPHTL-STQMWFEESA-N	248.341	4.521	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@H]2CC[C@H]1C2	2035042659	CTIKBJHTYTWKKR-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC1(C2CCCC2)CC1	2035421136	GDCCKGNKWYDRMQ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@H]1CCC[C@@H](C)C1	2035587035	BGSUFMWVXAGJIS-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	2035853044	PRJXNTCBXRJWBH-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@]1(CN)CC12CCCC2)C1CCCCC1	2036106743	OUPDHDHPBUBVMF-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@H](C)c1ccccc1	2037116030	PRUCZQYBWIECPL-GOEBONIOSA-N	247.426	4.724	0	10	BJAE	
N[C@@H](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCCCCC1	2037131772	HGYKPUOUFDYNTJ-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C[C@H]1CC=CCC1	2037167211	QTFUZVGGKLWPFV-YQQAZPJKSA-N	247.426	4.587	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(N)CCC[C@H](C2CC2)C1	2037179439	MFHYXKVVANCQQT-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
NC1(C[C@@H]2C=CCCC2)CCCCCCCCC1	2037305677	GAILUZURHWHPMY-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)[C@H]1CCC2(CCCC2)C1	2037595179	VBPZBLMHSRQDSQ-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@H]1CCCCN1[C@H]1CCC2(CCCC2)C1	2037683824	VQKPPLHMTBIBMA-JKSUJKDBSA-N	249.442	4.610	0	10	BJAE	
CCNC[C@]1([C@@H]2CC[C@@H](C)C2)CCC=CCCC1	2037697563	HUUFEQMJYKJNNK-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC1CC(CCNC2CCC3(CCCC3)CC2)C1	2038093137	YCWSKKSYFXEGKV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](C)C23CCC(CC2)C3)c1	2039862755	AFPDUUZOGRNRRS-FUJMWEONSA-N	247.357	4.515	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@@H]1CC[C@@H](C)C1	2040144467	BRYPTKWLSMLCSF-DLTWYDFYSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC=C[C@@]1(N)C[C@H]1CCC=CCCC1	2045311380	JEGXYEYYFVQYCU-DOTOQJQBSA-N	247.426	4.587	0	10	BJAE	
Cc1ccc([C@@H](O)[C@H]2CCCC(C)(C)C2)cc1C	2045364933	HDXGFVCFCACEGR-JKSUJKDBSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2CC3(CCC3)C2)C1	2045460364	NZGXLFCRHYMBJM-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
Cc1oc2ccccc2c1C(=O)CCCC(C)C	2045584368	IQSHXEFCXHAHPB-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@H]1CC(C)=C[C@H](C)C1	2045695371	JRCPDPVYAKYONZ-IAOVAPTHSA-N	249.442	4.537	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2CC23CCCCC3)CC=CCC1	2047063952	AKPXEOVPIOFUGK-HOCLYGCPSA-N	246.394	4.662	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1[C@@H]1CC[C@H]2C[C@H]2C1	2047345329	FRWOMCJDVSXSAI-XUWVNRHRSA-N	248.410	4.742	0	10	BJAE	
CNC[C@@]1(CCC2CCCCC2)CCC12CCC2	2047944479	YUFMXSMULMMMQQ-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)C1CC(C(=O)[C@]23CCCC[C@@H]2CCC3)C1	2048625053	WKCDPQXCVRZGFW-BOXZVXIZSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@@]1(CNCCC)C[C@H]2C=C[C@H]1C2	2049469296	UYOJPIHPHMVDAM-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCCCC1=O)c1ccccc1	2049705835	WJWAXLQAQOGSNX-HOCLYGCPSA-N	244.378	4.720	0	10	BJAE	
O=C(CC[C@@H]1CCC2(CC2)C1)CC1CCCCC1	2049952636	YVEDBBKRWWLLAC-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCC[C@@H](NC2C3CCCC2CCC3)C1	2050042383	PHRNTKBCLDZKFH-MYLOQMAZSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](N)c1cccc(C)c1	2050464678	OWWSAQWBXMILRY-DOTOQJQBSA-N	247.426	4.991	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)c2ccc(F)cc2)C1	2050495943	ZMQFZHBPEXRAHS-QWHCGFSZSA-N	248.341	4.615	0	10	BJAE	
C1CCCC(CCN[C@H]2CCCCC23CC3)CC1	2053312724	YHQDFZNXDFBJPM-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCCC12CCC2)C1CCC1	2053360438	QJRPUKFDGJGLNB-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CCNCC1(CCCC2CC2)CCC2(CC2)CC1	2056558004	ALYRKVFUIPUKTH-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC=CCCC[C@@H]1[C@H]2CC[C@@H](C2)C[C@H]1NCCC	2059251776	BNSADIROWZOEKJ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(C(F)F)c(C)cc1C(F)(F)F	2060351573	RKGBCWHDXAWTJW-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2061606430	LMOVBPAQPNNUCC-XOSAIJSUSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC(C[C@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2061620690	ABLFNCPHPVHOCT-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)CNCC1CC(=C2CCC2)C1	2061647400	QBOPPSRZHQBNOE-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCOc1ccccc1CC1CC(=C2CCC2)C1	2061726708	SXBCEIGRFLYFCW-UHFFFAOYSA-N	242.362	4.518	0	10	BJAE	
CC(C)(CC(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CC1	2063422339	DDDNCVSQXLZLLE-ZSOGYDGISA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C[C@@H]1C[C@@H]2CCC[C@@H]2C1)c1cccc(N)c1	2063491555	SEEICHYCEIWEFY-UGQVUOCMSA-N	243.394	4.589	0	10	BJAE	
CCC(C)(C)CCC1(CN)CC2(C1)CC21CCC1	2064007152	CGRQAFDEEVLUIT-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccnc(C2CC2)c1	2066084234	KKYFHQDKNYKODZ-AWEZNQCLSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)C[C@@H]1CCC=CCCC1	2068269681	ORWYRAXGWHQRPS-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC2(CC3CC3)CCC2)C1	2069496963	WOTCUMRYBUKRQJ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)C1(CC2CCC2)CC1	2069564441	RWHNUFXMURMJKU-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)c1cccc(C(C)C)c1	2070307948	JGSDTLLNCURKNQ-QGZVFWFLSA-N	245.410	4.730	0	10	BJAE	
CC(C)=CCC[C@](C)(O)c1ccccc1C1CC1	2070414975	YRMHHERFJLRART-KRWDZBQOSA-N	244.378	4.518	0	10	BJAE	
CC(C)(C)C1(C[C@]2(CN)CCCC23CC3)CCC1	2071946585	RKTPHMJUZASNLZ-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CC[C@@](C)(Nc2ccc3ccccc3c2)C1	2073014746	LSFUANZVVFSKIA-CXAGYDPISA-N	239.362	4.830	0	10	BJAE	
CCCC1CCC(C=C[C@@H]2CNC(C)(C)C2)CC1	2073112227	OANFTLPAACIKGS-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@]1(C)CCCN([C@@H]2CCC23CCCCC3)C1	2075012655	KNOBGKVNAJTGIG-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCCCN(C[C@]12CCC[C@H]1C2)C1CCCCC1	2076583727	BORBKGRHXAZECW-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@H]2C[C@](C)(F)C2)Nc2ccccc21	2077716487	IWRPFJOKOGCUTF-NFFDBFGFSA-N	247.357	4.503	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCC2(CCC2)C1	2081954163	BVFWTGZJQFKCJR-CQSZACIVSA-N	247.357	4.523	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCCCC23CC3)C1	2082977192	XDLMNSNCHFZLNO-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C[C@H](c1ccccc1)N(C)[C@@H]1CC(C)(C)C1(C)C	2084429772	OFJFFEZNYFQAEJ-UKRRQHHQSA-N	245.410	4.504	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1ccc(CC)cc1	2086053129	IRPJDEJQZNJCJL-RHSMWYFYSA-N	247.426	4.855	0	10	BJAE	
F[C@@H]1CC[C@H](CCC=Cc2ccccc2)C1	2210661948	HMKWDYBPAXOZGN-LSDHHAIUSA-N	218.315	4.618	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C(C)(C)CCC	2216286201	RZYVUCGELCGMDP-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCCCC(F)F)CC1	2216454186	WPGQDNYDGFIFHU-OCCSQVGLSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C)C(=O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216746092	BPQXDXXUFBZISQ-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCN[C@H]1CCCCCCCC1CC1	2216861917	IZVANRZFGZAPMB-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC1(CN[C@@H](C)CC)CC1	2217150319	MTDMESMJBOMZHQ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@H](C/C=C/c1ccccc1)NCC	2219085623	OBSIQTYZTQYNJE-NOPRJXFKSA-N	245.410	4.504	0	10	BJAE	
CC1(C[C@@H](N)CC[C@@H]2CC2(C)C)CC2(CCC2)C1	2221028069	MNEFKKHLTMOFOV-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CCC(C)C)c1c(C)cc(C)cc1C	2222006647	NDNSZMMZAKKVCK-KRWDZBQOSA-N	247.426	4.612	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@H](C(C)(C)C)C1)c1ccoc1	2222269513	SAWRZQFDUMKVBL-AEGPPILISA-N	249.398	4.535	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@@H](C)c1ccc(C)cc1	2223968423	PYISVZHSFUUKDD-HOCLYGCPSA-N	247.426	4.513	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CCCCCC(C)C	2244775300	MLWXYVFGZFGJPV-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
Cc1cc(C[C@H]2C=CCCCC2)cc(C)c1F	2246358080	FJUWCTHWEMBAKR-AWEZNQCLSA-N	232.342	4.731	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C[C@@H]1CCCCC12CC2	2246614152	IHIVWXNPEYOTRO-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CC(C)NCC(C)(C)CC[C@H]1CCC[C@@H](C)C1	2246663994	HHCBQCHUVNCDQX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1cc2ccccc2s1	2246950279	WSXYZZRMNAITDX-ZYHUDNBSSA-N	244.359	4.520	0	10	BJAE	
CCC1(NCCCC[C@H]2C[C@@H]2C)CCCCC1	2247095696	ZDWVZKAGNQWRIT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](O)(CCCC[C@@H]1C[C@H]1C)C(C)(C)C	2247126917	FLCUIKFYLMWOID-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@H](N)CCCC[C@H]1C[C@H]1C)C(C)(C)C	2247128827	MAGOVFWOIWMQOO-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
CCC1([C@H](O)CCCC[C@@H]2C[C@H]2C)CCCC1	2247165681	RNRAQKPAHUNSSN-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
C[C@H](C(=O)CCCCC[C@H]1C[C@H]1C)C1CCC1	2248867851	YAMVMXLQHHKDHL-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H]1CCC[C@@H]1C)NCC	2250361025	JFQUKHYYYJFSQM-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@H](C)C1CCCCC1	2250385258	PZDMETSLLYLUHC-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CC1=C[C@H](N)[C@H](CC[C@@H](C)CCCC(C)C)C1	2250480674	HGZJGIVKWQKHOD-IMJJTQAJSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](NCC[C@H](C)CCCC(C)C)C1CC1	2250492789	IXOYWLQENYUISP-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@H]1C=CCCC1	2250494320	AROHEXMHTPEKIK-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@H](C)C1(C)CC1	2250526674	GGMYJHIYMNAWAX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCC(=O)C1CC(CC(C)(C)C)C1	2251535113	LIOJCXMXRAIYAP-UHFFFAOYSA-N	236.399	4.764	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCC1CC2(CCCC2)C1	2254083933	JNUVOBXJZAGIGJ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1(N)C[C@H]2CCC[C@@H](C2)C1	2254605348	MQLUOXIFXBZQNR-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cc(C=O)cc(C2=CC[C@H](C)CC2)c1	2254714889	MENKQUQUWZBWFG-ZDUSSCGKSA-N	242.362	4.826	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC)(CC2=CCCCC2)C1	2255103215	NLTBXHFNSDEGHO-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
c1ccc2c(c1)ccn2CC[C@H]1CCCC12CC2	2255235807	LTFDZNVQXZIRKK-OAHLLOKOSA-N	239.362	4.612	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2CCCC23CC3)C1	2255335956	CSFJNLXJINRMFI-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@H](NCC1CCCCCCC1)[C@@H]1CC12CCC2	2256447313	ZUISPHVTDVRJLR-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(C[C@H]1CCCCCCC1=O)C2	2259545946	WWSSJTKERYCWHZ-UKEPKTAJSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@]23CCCC[C@H]2CC3)C1	2260536142	DGTZXRCDCMNFTR-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@]23CCC[C@H]2CC3)C1	2260581125	CTMSJFRKOYCMSP-WBTNSWJXSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(NC[C@]23CCC[C@H]2CC3)c1	2260593049	UNKRFORCWFPFIY-DOTOQJQBSA-N	243.394	4.802	0	10	BJAE	
NCC1(C[C@@]23CCCC[C@H]2CC3)CCCCCC1	2260650102	BCNMWRLETKAIRX-RDJZCZTQSA-N	249.442	4.646	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@]12CCCC[C@H]1CC2	2260657856	LFEDGBQRDITBNH-TWMKSMIVSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@](N)(C[C@]23CCCC[C@@H]2CC3)C1(C)C	2260678572	LWYRJUZCZJVDHS-XYPHTWIQSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC(N)(C[C@]23CCCC[C@H]2CC3)C1	2260679910	UOSGFCVVXYTBLF-DKVOJFQGSA-N	249.442	4.501	0	10	BJAE	
C=C=CCC[C@@H](NCC)C1CC(CC(C)(C)C)C1	2261196390	WUQUXSPYDIHRFF-UYSNPLJNSA-N	249.442	4.548	0	10	BJAE	
CC(C)=CCC=C(C)[C@@H]1CC(C)(C)CO[C@@H]1C	2297624055	SJQNVWHNHXDMMZ-CABCVRRESA-N	236.399	4.740	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CC)C[C@@H]1CCC[C@H]1C	2298224971	KMDQAYKECZOVES-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@]1(CN[C@@H](C)CC)C[C@H]1C	2300687885	HMEPCBGWVUJCDM-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H]1CCC(C)(C)CCC1=O	2300701674	SYMXEQIOOILMJV-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1CC[C@@](CN)(CC2CCCCCC2)C1	2301144295	CAVPNYRIZYFEPK-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CCCN(C1CCCCC1)[C@@H](C)[C@H](C)C(C)C	2301967789	MIIIZRSCZDCELX-CABCVRRESA-N	239.447	4.712	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1CC(C)(C)[C@H]1C	2302148809	WGAUREUWNFMIPA-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)NCCCC1=CCCCC1	2302317119	DDMPWLJHRRGIBA-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C[C@H]1CCC(C)(C)C1	2302712936	KJUHIXCDANJRAJ-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@@H](CC2(O)CCCCCCC2)C1	2302715298	DWCJTEHEDHKEHB-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CN[C@@H](C[C@H]1CCC(C)=C(C)C1)CC(C)(C)C	2303594006	BIJIXVYOHUNHAR-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CCC[C@H]2C)CC1	2303602301	VDDDRYBMLKBACI-YUELXQCFSA-N	234.383	4.518	0	10	BJAE	
CC(C)Sc1cccc(C(=O)C2CCCC2)c1	2307559166	KXEAKGZVCNRMOW-UHFFFAOYSA-N	248.391	4.560	0	10	BJAE	
CCC[C@@H](CC)CN1CCCC[C@@H](C(C)C)C1	2307749608	MCZXIOVORLMQKI-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H](CC)CCC	2307909739	LJWYPMBWJTULJM-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@]23CCCC[C@@H]2C3)CC1	2311163005	XDYVLQOEGCQICX-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1C)CC1CCC=CCC1	2311275889	KQKBLMKSEBGQNX-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)[C@@H]1C[C@H]1C1CCCCC1	2311525487	SWHIKHAQDNDTTF-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)C[C@H](C)CCC1=C(C)C	2311611373	UZPCBMRXCOCVPD-PNBKFKSVSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](CC1CCC1)N1CCCCC12CCCCC2	2313639217	QRMYLXMDCLPCIM-HNNXBMFYSA-N	249.442	4.754	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1C[C@H]1C1CCCCCC1	2316508582	KWJHHAYUDWVBQB-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C[C@@H]1C[C@H]1C1CC1	2316509964	KTCDKOYMSBHFLW-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2316539323	IYFFLVYDKWBVNY-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CC=C(C)CCCC(C)C)[C@H]1CC12CC2	2316551397	JRIJIISZUGSOTO-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316791307	MPOAIVYIKYNBGJ-RYANBCIRSA-N	249.442	4.537	0	10	BJAE	
N[C@]1(CC2CCCCCC2)CCC2(CCCC2)C1	2316887475	YIIJXESYCDSHLM-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCC[C@H]1CCCCN1CCCC1=CCCCC1	2318575714	IINRLGIZVFWKND-KRWDZBQOSA-N	249.442	4.922	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(CCCC2=CCCCC2)C1	2318582810	IDXBPZLIQMFVBL-NVXWUHKLSA-N	249.442	4.812	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1CCCC1=CCCCC1	2318596790	DGKJNCJESMPUTN-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
Cc1ccccc1C(=O)C[C@H]1CC[C@H]1C(C)(C)C	2320251394	ZVPOFTQUFIGZSY-UKRRQHHQSA-N	244.378	4.640	0	10	BJAE	
CCc1cccc(OC[C@@H]2CC[C@H]2C(C)(C)C)c1	2320255344	NIIVGHYXEZNPED-GOEBONIOSA-N	246.394	4.700	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@H]1CCC(C)=C(C)C1	2320330171	WMRPRQGVDSMLME-BBWFWOEESA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)C[C@@H](C)C2CC2)c1	2327673429	OZHIUIYEAMVICV-CXAGYDPISA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)CCCC2CC2)c1	2327700856	GAHAEMWGGSXKCB-QGZVFWFLSA-N	246.394	4.732	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccc(C)c(C)c2)cc1	20016311	XLGJRUPEJADMKL-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c(F)c1	20371446	KNKJLKAYJOQPQT-CHWSQXEVSA-N	249.373	4.761	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccc(Cl)cc2)cc1	20552787	MMXHWNQJNKRTNL-GFCCVEGCSA-N	245.753	4.822	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H](C)CCC(C)C	21792121	ZOIATFXANVSSAC-LBPRGKRZSA-N	239.790	4.885	0	10	BJAE	
CCCCNc1ccc(-c2ccccc2)cc1	34528540	UYUDZTGMFLTPLQ-UHFFFAOYSA-N	225.335	4.566	0	10	BJAE	
CCCN[C@H](CCC(C)C)c1ccc(CC)cc1	35582594	UZDASWPIYFYSAM-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCC(=O)c1ccc(-c2cc(C)cc(C)c2)s1	36927461	WJOXJSCLDUCYKA-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CCC(C)C)cc1	36940777	NUDKASQOMVSIOL-ZDUSSCGKSA-N	232.367	4.819	0	10	BJAE	
CCCCC[C@@H](C)Nc1cnc2ccccc2c1	36989784	WWRKAHRKDNNESH-CYBMUJFWSA-N	242.366	4.616	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)C[C@@H](C)C[C@@H]2C	49829125	YYHBAWZNPCNGKS-UWVGGRQHSA-N	237.774	4.544	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@@H](C)CCC	71085360	DKFOAOKPDDWSBG-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCc1ccc(C/C=C/c2ccccc2)cc1	78018040	ONUYRUWLTOPXKC-UXBLZVDNSA-N	236.358	4.895	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@@H]2CC[C@@H](C)C2)cc1	80451940	SEYNTMWUGLFFLZ-JKIFEVAISA-N	245.410	4.649	0	10	BJAE	
CCCCCC1(N)CCC(CCCC)CC1	83184964	LJFYQCVBFCMSKB-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
C[C@@H]1CC(NC2CCCCCCC2)C[C@@H](C)C1	84461995	YPAQTCUFWMXJEE-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CC)CCC1C[C@@H](C)C[C@@H](C)C1	84958335	WKHUVENDABEXFU-VFSICIBPSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H](Oc2ccc(Cl)cc2)CC[C@H]1C	85150235	CGIINAGPNOEFBK-UHIISALHSA-N	238.758	4.544	0	10	BJAE	
CC[C@@H](C)C[C@H](CNC(C)(C)C)c1ccccc1	88098982	MWNHXSRWCJSEQN-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@@H](C)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	109946301	QRNUOVYHAGGVNC-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(-c2ccccc2)cc1C(F)(F)F	112734723	SCEZVIICXFAIHR-UHFFFAOYSA-N	236.236	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Oc1ccc2[nH]ccc2c1	126487275	MTIIIPFODFMKBO-LRDDRELGSA-N	243.350	4.516	0	10	BJAE	
CCC(C)(C)[C@@H](N)c1c(C)ccc2ccccc12	160859229	JMWAANTXRHXFCQ-INIZCTEOSA-N	241.378	4.584	0	10	BJAE	
CCCN[C@H](C(C)C)C(CC(C)C)CC(C)C	166056792	OREAWMXHOCGBIW-MRXNPFEDSA-N	241.463	4.719	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)CC1CCCCC1	226821959	PTMIDMPRMAIZQL-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)Nc1ccc2ccccc2c1	230963034	IDVOHVWIRYAWBE-UHFFFAOYSA-N	227.351	4.830	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNCC2(C)CCCCC2)C1	235373268	LHCLVAOIOBSLDL-HOCLYGCPSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](C)CC[C@H]1NC	251277620	DSKQHDUBSYPXCJ-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H](C)[C@@H](C)CC)CC1	251416371	XXVYIJOPSGJDTE-JJXSEGSLSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H]1CCC[C@H](C)C1	300691074	PKEBWRWJPMWQBP-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1NCCCC(C)(C)C	302303938	NJZBYMVMYOCZFQ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1ccc(C)c(C)c1	308100747	DRRZMWMYPQUIFH-CQSZACIVSA-N	232.367	4.558	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC12CCCC2)C(C)(C)C	310254104	KYACHCUVTQBEBG-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)CCC2CCCC2)C1	310271585	SYCFUXRFINHAOB-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc([C@@H](O)[C@@H](C)C2CCCCC2)cc1C	311208658	KHYKXWSETBESCR-YOEHRIQHSA-N	246.394	4.553	0	10	BJAE	
CCC1(C[C@@]2(CNC3CC3)CC[C@H](C)C2)CCC1	317837914	QOAKOLARRMORNT-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CNC[C@@]1(C[C@H](C)C2CCCCC2)CC=CCC1	317870932	KZCYWQHMJBFHJP-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
C/C=C/C[C@]1(CNC(C)(C)C)CCCC[C@H]1C	318251747	GRPNGGQMVBKEHF-XMAAMQLLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cccc(Cl)c1C	320260964	ZGJKRNUWBUBEQY-UWVGGRQHSA-N	238.758	4.513	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C(C)(C)C1CCC1	322748426	CRGGZSVFPLUVMW-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H](C1CC1)C(C)(C)C	324316119	XJZVXEWGEQXDQV-JSGCOSHPSA-N	239.447	4.616	0	10	BJAE	
CN[C@@H](c1ccc(C)c(C)c1)C(C)(C)C(C)(C)C	381036530	URWWJHWPIVUOQR-HNNXBMFYSA-N	247.426	4.636	0	10	BJAE	
Cc1ccc(F)c(OCCCCCC(C)C)c1	383252129	KLSXFKSKDJRYFA-UHFFFAOYSA-N	238.346	4.729	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@H]1CCC[C@@H](C)C1	383621465	VHBFAALANTVFCI-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@H](C)C1CCCCC1	383749244	DOLJCKADBDIBRO-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@H]2CCC[C@@H](C)C2)C1	383978362	ZNPKOWROOURCHS-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)[C@H](C)C1CCCCC1	384007290	NWTVAONISHHQBW-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](CC(C)(C)C)NCC1CCCCCCC1	384490103	KJPBNTBDGSHYQT-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CNCCC1CCCCCC1)C(C)(C)C	394563445	HDFHHCIEDRKQPO-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@](O)(C[C@@H](C)CC(C)C)C(C)(C)C	395322211	MPSFZHSOAVBDNO-DZGCQCFKSA-N	228.420	4.636	0	10	BJAE	
C[C@H](CC(=O)C(C1CCC1)C1CCC1)C1CCC1	398904202	IZITVWYSJHJSPA-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H](C)C(C)(C)C	399126072	OKVUIBUQNVNPTA-STQMWFEESA-N	226.404	4.844	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1ccc2c(c1)CCCC2	404664010	XVVGZTTXVHDUBM-DYVFJYSZSA-N	243.394	4.556	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCC(C)(C)C2CC2)C1	406079795	WTEQARTUXZJREM-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](O)CC(C)(C)c1ccccc1	686659783	VJOPUNXBQCQXDA-INIZCTEOSA-N	248.410	4.542	0	10	BJAE	
CCc1ccc(NC[C@@H](C)C(C)C)cc1Cl	691250992	KOEKAFBMBJGHFD-LLVKDONJSA-N	239.790	4.606	0	10	BJAE	
Cc1cc(C(F)(F)F)ccc1CC1CC=CC1	692119045	HBEPIKVKENPWLL-UHFFFAOYSA-N	240.268	4.523	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H]1CCCC2(CC2)C1	695959321	XMZXUAWTPGXMRZ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(N[C@@H]2CCCC[C@H]2C2CC2)CC1	696103823	JFPDZLABMCQAKU-MHVXSEJMSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C[C@@H](C)CC(C)(C)C	696548928	DQYYWLMNXRAKJT-KGLIPLIRSA-N	241.463	4.993	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H]1CCCc2ccccc21	696619589	LGWDKDYMMIHUPZ-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
CCC(C)(C)CCC1(O)CCC(C(C)C)CC1	696679633	USFPUDAWCFZVOS-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCNCC(CC)(CC)CCC(C)(C)CC	696805823	LDCFXUUWKGZRGI-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
C[C@H]1CCC[C@]1(CNC(C)(C)C)CC1CC=CC1	700907354	ZRCWZQWYMNFCDD-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(COc2cccc(Cl)c2C)c1	702642715	GHYBXCQGVUUIGK-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)c1cc2ccccc2o1	704673504	QHICXSXJFCJVEC-NHYWBVRUSA-N	246.350	4.539	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CCCC12CC2	706586595	BUJSSSGRIJLPSD-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
CN[C@H](c1cccc(C)c1C)[C@H](C)CC(C)(C)C	708315221	GYPLDNASUJCNSZ-CJNGLKHVSA-N	247.426	4.636	0	10	BJAE	
C[C@@H](CC[C@H](N)c1ccccc1)CC(C)(C)C	709100047	DZFKGTRPIISZDX-ZFWWWQNUSA-N	233.399	4.539	0	10	BJAE	
Cc1cccc(N[C@H]2CCCCC[C@H]2C)c1C	709164851	CRGSAUYZELFESS-HIFRSBDPSA-N	231.383	4.684	0	10	BJAE	
CCOc1cc(NCCCC(C)(C)C)ccc1C	709739858	WFOBYAWEGWADSF-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
Cc1ccc(Cl)cc1CC1CCCCC1	709924059	HCGWYOIIZRBRFM-UHFFFAOYSA-N	222.759	4.771	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)(C)C)CC1(C)CC1	711214912	DSMYSSVMXKMNQE-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@H](C1CCCC1)C1CCC1	711832016	NFRMVRSHWUALJG-SUMWQHHRSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)C[C@@H]2CCCC[C@@H]21	712472095	ATBVVPPEGCPTRP-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C[C@@H]2CCCC[C@@H]21	712491400	OBAVLZYHIYTHKP-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NC)[C@H](CC(C)(C)CC)C1	713264166	MLFPRBBZOYEQLG-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(NC[C@@]2(C)CC2(C)C)cc1	717126166	RHNNTFCRHGQHAD-MRXNPFEDSA-N	231.383	4.658	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1c(C)oc(C)c1C	718636818	XVGWCKXIZSWKKP-OAHLLOKOSA-N	249.398	4.602	0	10	BJAE	
CC(C)C[C@H](C)CN[C@H]1CCCCCC1(C)C	718990946	YLCDIGVSWFABKY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCC1(C2CC2)CCC1	719309653	VAZPVSCEXXNQIZ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H]1C[C@H]1CC)NCCC	723071891	UXTVNYBQDOAUCX-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCCC2(CC2)C1	723602000	FHGQSUBUEDKRCH-GFCCVEGCSA-N	249.785	4.783	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CSc1cccs1	1651765113	ATWGYVZWTSMREJ-WDEREUQCSA-N	226.410	4.667	0	10	BJAE	
Cc1ccccc1CSC/C(Cl)=C/Cl	1652392927	DJKHDVGHBXPKSA-WDZFZDKYSA-N	247.190	4.547	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)CCC(C)C	1659253713	ICIYDCGMFGHCCP-GJZGRUSLSA-N	225.420	4.536	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CCC(CC)CC	1900703997	OLIJDWGGNQHJDF-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CCc1cscc1N[C@@H]1CC(C)(C)C[C@@H]1C	1902391342	SLLICIIDCNHDMF-CMPLNLGQSA-N	237.412	4.547	0	10	BJAE	
Cc1cscc1NC[C@@H]1CC[C@H]1C(C)(C)C	1902740784	ZFJQTNVLELFXSS-NWDGAFQWSA-N	237.412	4.541	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CCCC(C)(F)F	1905445516	LGIJEUHCPKLZJG-LLVKDONJSA-N	234.330	4.597	0	10	BJAE	
CC(=CCl)C[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	1911588411	DSRQZWPRCWPXOR-NEPJUHHUSA-N	242.790	4.551	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)C1CC2(CCCCC2)C1	1912630523	LDCJBMRCPYGVJV-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H]([C@@]2(N)CCC3(CCCC3)C2)CC[C@H]1C	1916438910	QORCDJWNBYWIFZ-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(c1ccc(C)cc1)C1CCCCCC1	1919459572	UPZPWZADDULTGQ-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H](C)CC(C)(C)C	1919508747	SXIJMJPLWODKBG-ZFWWWQNUSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@@](O)(CC)CC[C@@H]1CCCC1(F)F	1919538738	PSMGGDWYZQPLKE-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC(C)CCCCCC1(CO)CC(C(C)C)C1	1921173911	USVRTVUNZILTLO-UHFFFAOYSA-N	240.431	4.638	0	10	BJAE	
CCCNCC1(C[C@H](C)CCC)CC(CC)C1	1921187750	RFOPDIAHTGNAOX-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC12CCC2)c1ccsc1	1921491931	SDOSWYHTAIEGAN-KGLIPLIRSA-N	249.423	4.512	0	10	BJAE	
NC[C@@]1(CCC2=CCCCC2)CCCC12CCC2	1921607284	WQCJPYWCCNWZOR-KRWDZBQOSA-N	247.426	4.566	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](O)CCCCCC1CC1	1923887828	ARNBBDOKHZIZOU-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC(=O)CC1(c2ccccc2)CC1	1926175836	HEYGNLHYHIENCZ-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC(=O)c1ccc(-c2ccc(C3CC3)s2)s1	1939667149	UETAPJCASUJHTN-UHFFFAOYSA-N	248.372	4.557	0	10	BJAE	
C[C@H]1C[C@](O)(CC2(C)CCCCC2)CC[C@H]1C	1940406750	GWMOMQFRFCXGIH-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)CC[C@@H]1CC1(C)C	1940865468	YDZLEDLQJFZIMG-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](C)c1ccc(N)cc1	1940964525	BQEDSDHIEBBBML-ZENOOKHLSA-N	231.383	4.589	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](C)c2ccc(N)cc2)C1	1940965898	IOMVUEKACYUUMR-GUTXKFCHSA-N	231.383	4.589	0	10	BJAE	
CCN[C@H](CC(C)(C)C(C)C)[C@@H](CC)C(C)C	1941267657	VINYYBKQQRYKOL-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(CC)CNC(CC(C)C)CC(C)C	1941358393	IYAKPEDVBXAZJM-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCC(=O)[C@@]12CCCC[C@H]1CCC2	1944221918	LSQUZIFIUIFRQU-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CC1(CCC[C@H](N)C(C)(C)C2CCCC2)CC1	1944632853	WAELBDVPLAYCCR-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC(=O)C1C(C)(C)C1(C)C)C(C)(C)C	1946180159	NPHHCPRMYRLGIG-LLVKDONJSA-N	238.415	4.700	0	10	BJAE	
C1=C[C@H](Cc2ccc(C3CCCC3)cc2)CC1	1947553055	UTZAKLWQYCYSMH-AWEZNQCLSA-N	226.363	4.853	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2C=CCCC2)C1	1947558502	KAWBQNFHCNCBJV-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(N)CCCCCCCCC1	1947864268	FMYCVQXNWVKLJL-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H](C)CC(C)C)cc1C	1948323142	KFKINHRBRAGLKK-HUUCEWRRSA-N	233.399	4.786	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CC1(CC)CCC1	1948981286	PDRBJTFBADSYSO-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)C1(C)CCCCCC1	1949004451	ZSQTVCSBGIDNIQ-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	1949084882	SUZVQLIPSAZHJA-FOLVSLTJSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@H](C(C)(C)CC)CCC1(C)C	1949663557	XNDNDTYYHNAOHY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCC2(CC2)C1	1950261257	SPEFIYSVWHLFEN-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)C[C@]1(CNC)CCC[C@@H](C)CC1	1950930624	QGNZRUXIWVVGKS-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC1([C@H](CC2(C)CCCCC2)NC)CCC1	1951243511	IMTUSTDABKLYJE-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)N[C@H]1CCC[C@H](CC)CC1	1967708470	QAYURAGCVGYSDQ-HOCLYGCPSA-N	239.447	4.904	0	10	BJAE	
Clc1ccc(N[C@H]2CCCC3(CCC3)C2)cc1	1968266300	XRCZLGJHGHFLAO-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)c1	1968597379	ZDFUHWNCQDWJDE-NFFDBFGFSA-N	249.373	4.617	0	10	BJAE	
CC[C@@H](C)CN(CC)Cc1ccc(C(C)C)cc1	1971492165	XQNWXXLTLWHDTJ-OAHLLOKOSA-N	247.426	4.678	0	10	BJAE	
CCC(C)(C)C[C@H]1CCCCCCC[C@@H]1O	1980352661	VZXHYYLGMINWBQ-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC(=O)C1(C)CCC(C)(C)CC1	1983315100	WZOJTQFUXFXUIO-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)CCC=C(C)C	1988794709	LQXZUFRWUWAWCD-KGLIPLIRSA-N	225.420	4.536	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1CC[C@H](C)CC1	1989839002	NCEXVJCYUJRRIM-HDJSIYSDSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1cc(C)cs1	1995261002	AGKYVWPPJJLMFM-DGCLKSJQSA-N	239.428	4.663	0	10	BJAE	
CC[C@@H](C)Cc1coc2c(Cl)cc(C)cc12	1995463477	KROHDYOVPWJSMU-SECBINFHSA-N	236.742	4.983	0	10	BJAE	
Cc1cccc(C)c1N[C@@H]1C[C@@H](C)C[C@@H](C)C1	1995686495	ILNDJDYWNNNKPH-JYAVWHMHSA-N	231.383	4.540	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CC[C@@H](C)C2)c1	1996219696	QQEUSTMGMGWSRB-ZIAGYGMSSA-N	231.383	4.658	0	10	BJAE	
CCCCCC[C@](C)(O)C1CCC(C)(C)CC1	1996561811	PKMJWGREDOGUKT-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCC(C)(C)[C@H](N)[C@@H]1CCC2(CCCC2)C1	1996612654	ZIFIWVKYKPQUTO-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@]1(C)CC=CCC1	1997550104	DZPDMPSXZWNOFR-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc([C@H](N)C[C@@H]2CCC=CCCC2)s1	1999979971	WZFXMYWHXOIUSN-ZIAGYGMSSA-N	249.423	4.583	0	10	BJAE	
CCCNCC(CC)(CC)CCC(C)=C(C)C	2000505225	PAVVUCDJDMIUOY-UHFFFAOYSA-N	239.447	4.929	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](C)[C@H]1NCC	2002889504	VJCNFMJGLDOYAL-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)NC1CCCCCCCC1	2003094714	HDWZLNGLFHWSSE-AWEZNQCLSA-N	239.447	4.904	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H](CC(C)C)C(C)C	2004229004	FAZVLNOXRCYPBN-HZPDHXFCSA-N	239.447	4.639	0	10	BJAE	
CC(C)CCCC(=O)[C@@H]1CCCCC12CCC2	2005566836	YILHALFRAUVFJK-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CC1CC(C(C)C)C1)NCC	2007748635	FMMDKIUCMUPBAV-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CC=C1CCCCC1)c1ccccc1Cl	2007934713	MXWFZFOGAMGCRP-HNNXBMFYSA-N	249.785	4.620	0	10	BJAE	
CC=CCCC[C@H](NCC)C1(C(C)C)CCC1	2009618011	YFISCTDKXILTPY-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@@H](NCCC)[C@H]1CC	2009620453	VQXWVNKZWHCDFG-UENUHNEHSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(NC[C@H](C)CC(C)C)C1	2009790795	CHJHGWSXSLUZJN-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCCCCC12CC2	2011271253	IDRGPACBKBGUAQ-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCCC(C(C)C)C(C)C	2015361746	YOIMNRRRFZUADN-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CCCC1CC1)CC1(CC)CCC1	2015599890	SUIKYFVGTASAIA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@]2(CN)CCC[C@@H](C)C2)CCC1	2015643608	DSGITOAVZYQARA-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@H]1C=CCCCC1	2016136667	MQIDHWVEXNYPRS-HOTGVXAUSA-N	236.399	4.620	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2CCCC2(C)C)CCC1	2017129514	PLAKCJGYXUEFOL-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](N)(C[C@H]1CC[C@H](C)CC1)C1CCCC1	2017723001	SFTCZIREVHXRIV-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@H](C)CCCNC)CC1	2017737313	KDIHNIWYVCIEGK-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCC[C@H](CC)C2)CC1	2018925593	SFPLJAAWLZTRGB-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCCN(C)C[C@H]1CCC[C@H]1C	2019340557	PGLLWTYMCMOPDO-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
CC[C@H](C)[C@@H](C)N1CCCC12CCCCCC2	2019384020	BNYVUSNHBIPQPT-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@@](C)(CNCC)[C@H]1C=CCCCC1	2019504472	AGFRRAWUQCDDFA-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](CCC(=O)CC1CCCCC1)C1CCC1	2019862013	RFJZGBDIZMNXBV-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C(C)(C)C1CCC1	2020964601	HYLCUQAZMINVIF-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](Nc1ccccc1C1CC1)C1CCC1	2021026105	KWEDBCGNKYVTQY-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccccc2C2CCC2)C1	2021027376	XXJASFPZXGHDAR-OCCSQVGLSA-N	229.367	4.555	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1C[C@@H]1C1CCCC1	2022554462	OLPPOZNDGMWCHC-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@H]1C[C@@H]1C(C)C)C(C)C	2022558302	VJFDIPDTRUKTTK-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CCCCN(C1CCCCCC1)[C@@H]1C=CCC1	2023345868	LCIRBUUWNZJXSW-MRXNPFEDSA-N	235.415	4.530	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@@H]2CCCC(C)(C)C2)C1	2024095012	OHSQYXDOXVCOKD-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](O)CCC1CC(C)(C)CC(C)(C)C1	2024116962	JMPBPNKWGXDSKN-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)C[C@@H]1CC=C(C)C	2024126799	YGYSRIIXFIQLKK-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2C(=O)CCC[C@H]2C)CC1	2024614808	ZBDQXWLHXJJATH-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CN(c1cccc(Cl)c1)[C@@H]1C=CCCCCC1	2024677185	GOTGJOXGOAGERE-CQSZACIVSA-N	249.785	4.665	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)C=C1CCCCC1	2026168489	AHIBAGGTJAREJN-ZBFHGGJFSA-N	237.431	4.811	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@@H]1CCCC12CC2	2027855018	LAAPECUTWWCOQF-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)c1ccc(C2CC2)cc1	2028598238	OOYVOXYJCAYJPC-MLGOLLRUSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CC1)C1=CCCCCCC1	2032161781	UJCQQLUAZWAHRO-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CNC1CC2(CCCC2)C1)C1CCCCC1	2036540056	ZPWWDFZIRPLYCV-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@](N)(CCCC1CCC1)C2	2036661456	PVOJVRKNAHCBNF-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc([C@H](N)[C@H]2CCC[C@@H](C)CC2)c1	2039370762	RXNBZRWXGMOWKE-ISTRZQFTSA-N	245.410	4.520	0	10	BJAE	
CC[C@H](C(=O)C[C@@H]1CC[C@@H](C)C1)c1ccccc1	2040138241	NAYHXGSTAIAYTL-FMKPAKJESA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)CC2=CCCCC2)C1	2043189527	BPCVULOLUYKWSE-INMHGKMJSA-N	249.442	4.824	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)c1cccc(F)c1	2045310406	CPVVBVQEOUPSIL-CYBMUJFWSA-N	246.325	4.535	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)C1(C)CC(C)C1	2045320444	MVZSGUMXKBSUBG-VUROTCPHSA-N	249.442	4.537	0	10	BJAE	
CC[C@](O)(c1ccccc1)[C@H]1CCCC(C)(C)C1	2045368225	SOMTUVPZDFKINP-RDJZCZTQSA-N	246.394	4.501	0	10	BJAE	
Cc1ccc(N(C)CCC[C@H]2CC2(C)C)c(C)c1	2046571554	VAZNCXRRYRXECH-HNNXBMFYSA-N	245.410	4.566	0	10	BJAE	
C[C@H](N[C@H](C)[C@@H]1CCCC(C)(C)C1)c1ccco1	2049528955	MVGLCMVQLITSSQ-HZSPNIEDSA-N	249.398	4.535	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2CCC[C@H](C)C2)cc1C	2049535849	HZIIHRZHDZDRLD-MAZHCROVSA-N	245.410	4.930	0	10	BJAE	
O[C@@H](CC1=CCCCC1)C[C@@H]1CCCC2(CC2)C1	2049818531	FIZZUVRFNGYJKF-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C2CC(CC3CC3)C2)C1	2050218155	XQMYXZKJGHQQKW-IQAUEXFUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1CC(CC2CC2)C1	2050219157	IGOWATFIZZQXDL-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@H](N)c1ccccc1C	2050460588	KNMBQMUHAIAUQX-INMHGKMJSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CC12CCCCC2	2051407245	SLDCTENTQRYVHL-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC(CCC)CNc1cc(OC)ccc1C	2052173833	YZUQDALCUNWLOA-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@H](C)C1(C)CCC1)C2	2052351404	HCVSOHPLRBHHTQ-NUHCZIBGSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H]2CCCCC23CC3)C1	2053354073	CJXLQDQHURGDQQ-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@H]2C=CCCC2)CC1	2056538554	XRALKHSIFCJGJQ-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CCC1(C[C@H](N)C2(C)CCC3(CC3)CC2)CCC1	2056555942	CBZKAAJCZTUYRE-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2056781452	GUKDNZDIIMPDTB-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
OC1(C=C2CCCCC2)CCC2(CCCC2)CC1	2056858449	PEXVQOHBPZONIQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C1CCC(C)CC1	2056877957	FVBLDCRMWBIMOZ-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H]1CCCC[C@@H]1C	2056879960	XZKMWRFRZLJDTI-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@]1(N)C=C1CCCCC1	2056918691	BYNONKDYFWBYLS-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
C[C@H](C[C@@H]1CCC2(CCC2)NC1)C1CCCCC1	2057367104	OTUHTAKCJXLSFR-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCCC[C@H]1CNC1CC1	2059247401	PUGZSPWPXSBFJJ-VNHAASDWSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(C(F)F)cc(SC)c1Cl	2060054723	DIGQSCKYJQMWRX-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C2=CC[C@H](C)CC2)CC1	2060914998	WNSKODALEWYEIJ-UXLLHSPISA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@H]1CCC[C@@H]1C	2060921179	JMSAFFBTFIJOOW-NXNVCVFFSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)[C@@H]2CCCC[C@H]2C)CC1	2061089101	QWGAOZYZIHSHIJ-SRABZTEZSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)[C@@H]1CCC[C@H]1C	2061091973	MJAYXFMBPUFMDD-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C1=CCC(C)(C)CC1	2061110825	LSWHZGIPFFGLHH-CZUORRHYSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)CC2CC(C)(C)C2)CC1	2061138972	BODWHWYLSQTTCS-HOCLYGCPSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@@]1(CNCCC)CCCCC1(C)C	2061563434	OUEMMCAKBIJUGG-KRWDZBQOSA-N	249.442	4.694	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C1CC(=C2CC2)C1	2061651443	XRPKIXJPWHOGDB-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC12CC(C(=O)CCC1=CCCCC1)C2	2064122402	NTBIBHHQBBGKSQ-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
C[C@H](Nc1cccc(C2CC2)c1)C1(C)CCCC1	2067519488	GMWGMCJSKZPYAQ-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
CC(C)(C)CC1CC(N[C@H]2CCCCC23CC3)C1	2067984838	NLNUXKYEYFRALT-NRXISQOPSA-N	249.442	4.514	0	10	BJAE	
C1CCCCC(NCC2C[C@H]3CC[C@@H]3C2)CCC1	2068724807	RQAXGPKKRIRAAE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC12CCC2)C1(CC)CCCC1	2069197340	NTGKWWZMNGXSMQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC1(CCC(=O)c2ccccc2F)CCC1	2069280294	IUPZELPKAINCCK-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C1(CC2CC2)CC1	2069511049	JRFKWKJIZFBFFS-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]2C2CC2)CCCCCCC1	2071792866	DCKNNBRLNKJKEK-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(CN2CCCCC23CCC3)CCC1	2071915589	PSJTVFLDKUBRNQ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)C1(CC2(CNC3CC3)CCCC2)CCC1	2071946388	PFXPWLNCOLMAMN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H]1CC[C@H]2C[C@H]2CC1	2072424610	LAXYVHKDSHGXML-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(CN)(C[C@@]23CCCC[C@H]2C3)CC1	2074028151	FUESBBVVNPBAHP-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@]12CCCC[C@@H]1C2	2074092375	XAZWMSCCRYQMTN-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)C[C@H](C)c1ccccc1	2075144222	QCGVUPFBAUTONC-GJZGRUSLSA-N	247.426	4.547	0	10	BJAE	
CCCN(C1CCCCCC1)[C@@H]1C=CCCCC1	2076553459	VWURCMLMAZHDOA-MRXNPFEDSA-N	249.442	4.920	0	10	BJAE	
CC(C)CN(C1CCC1)[C@H]1CCC2(CCCC2)C1	2076744152	VTPFGVZPIVTOGM-INIZCTEOSA-N	249.442	4.610	0	10	BJAE	
CC1(CC[C@H](N)[C@H]2C[C@H]2C2CCCCCC2)CC1	2079429345	WGEGQOAYSCRELU-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1=CCCC1)[C@@H]1C[C@H]1C1CCCCCC1	2079478413	WMWLYSJODOPTKI-JKSUJKDBSA-N	246.394	4.662	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1C[C@H]1c1ccccc1	2079557377	IWNXBEYEKXKTBM-IXDOHACOSA-N	246.394	4.512	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@H]1C[C@H]1C(C)(C)C	2079625902	GUZNBPMDHHJTOG-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC[C@H](NCC)c1ccccc1	2079662333	UUNKCZISFDTCFS-IKGGRYGDSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](C)c1ccccc1CC	2081210552	YWNJLBXDLFPNAL-YOEHRIQHSA-N	247.426	4.521	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2CC23CCCCC3)C1	2083039989	AXXQPOZWDFLGRU-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2CCC=CCCC2)C1	2083041438	NWYNNLQWAHEGBL-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@H]1C[C@@H](C2(C)CCC2)C12CCCCC2	2083324906	HIFAHFRNQJPDHK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CCC1C2(CC2)C12CC2)NCCC	2083577070	SJILHVYRCACPAT-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCCCC(=O)c1cc(C)c(Cl)c(C)c1	2210143163	XQNQRVXDWODINL-UHFFFAOYSA-N	238.758	4.720	0	10	BJAE	
CC[C@H](C)Cn1c(C)cc2cc(Cl)ccc21	2211378978	QYECOFJXCPURQI-JTQLQIEISA-N	235.758	4.649	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@@H]1CC[C@@H]1C	2215088195	ZPHOEKQJIMQJCK-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC[C@H]1C[C@H]1CC	2215248614	ICKFEQWPIAKLAM-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCC(C)C)CC1(C)CC(C)(C)C1	2215398600	NTGKXSJUTUSXHD-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC(C)C)CC=C(C)CC1	2215827325	VETJOYLTUABSMX-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(=O)CC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216740828	ZSUKHTQUZJEDJP-KKUMJFAQSA-N	236.399	4.598	0	10	BJAE	
CC(C)(F)C[C@@H](N)CCCCCCCC1CC1	2216879832	NODYAVSTISIXJK-AWEZNQCLSA-N	243.410	4.593	0	10	BJAE	
CC[C@H](C)C[C@]1(CN[C@@H](C)CC)C=CCCC1	2217123945	CLWXRSWQGBMILE-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218330402	HZXFOLVAVBOUBW-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCCC1CCC1)C1C[C@H]2CCC[C@H](C1)C2	2218344480	VUZKPGPVMVMXDV-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218363226	CTLROLVIEFFMSG-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
C(CCCN1C[C@@H]2CCCCC[C@H]21)CCC1CC1	2218733956	ZICBFJRANASWLS-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC1(C)CC2(CCC2)C1	2220935926	MVZNASRUQIUMGV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)[C@@H]2CCCC3(CC3)C2)C1	2221016463	OGBBFYCETSWASV-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CNC[C@@H]2CC=C(C)CC2)CC1	2221627905	BYJZWTHRLIUVPQ-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@@]1(C)CC=C(C)CC1	2221633273	UEPMGFDOBMNGJS-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2CCCCC[C@H]2C)CC1	2221637602	IOKXDXPMNZACCB-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
C(CC[C@@H]1CC[C@H]2CCCC[C@@H]2C1)CNC1CC1	2222932427	FIPSEULYOJHBQU-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC1CC1)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222949930	TXHDGAJJLJCWPS-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](C)[C@@H](O)[C@H](C)CCC(C)C)cc1	2223955412	QCUGJXYAJGJDOK-VYDXJSESSA-N	248.410	4.532	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC1(C)CC(C)C1	2246445442	VFDMYISNUXBADY-JWMHWRSXSA-N	240.431	4.780	0	10	BJAE	
CC1CC(C)(CC(=O)[C@H]2CCC[C@H](C)CC2)C1	2246527924	SLHSCNJXSXTDHW-REWIBIJMSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@](C)(O)CC[C@H]1CCCCC12CC2	2246635635	XTEIHEXAKCZMKY-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@](N)(CC[C@H]2CCC[C@@H](C)C2)C1	2246732595	MIHJHLKMYLUNKI-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](O)CCC1CCCC1	2247167808	YOUFVFNPFXUTCC-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1Cn1ccc2cc(Cl)ccc21	2247400452	RCEGCBXKTCFAPA-GFCCVEGCSA-N	247.769	4.731	0	10	BJAE	
C[C@H](CC(C)(C)C)NC(C(C)(C)C)C(C)(C)C	2247731382	LTXBWQAZOSSYHU-GFCCVEGCSA-N	241.463	4.862	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CC1CC2(CCCC2)C1	2250362494	VIDJGCRNWRCUNM-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)[C@@H]1CCCC[C@H]1CC	2250364107	CYKIKHSMVOWOLY-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCC1(C(=O)CC[C@@H](C)CCCC(C)C)CC1	2250468175	BGCJPDLOBFTFRL-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)[C@@H]1[C@@H](C)[C@H]1C	2250483413	ZQXHCXFBHUXMHN-NYTXWWLZSA-N	238.415	4.700	0	10	BJAE	
CCC[C@]1(CC[C@H]2CCCCC23CC3)CCCN1	2253879919	HESZFWYZIVYKFJ-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C2C[C@@H]3CC[C@H]3C2)C1	2253921102	NSXJPNWBLDGTKM-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@@H]1CCCCC12CC2	2255049133	GZQWINBPZRNGIX-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
CC1(c2ccc(NCC3=CCCCC3)cc2)CC1	2255104532	QWDUGMYZARLHFS-UHFFFAOYSA-N	241.378	4.650	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC1(C)CC2(CCC2)C1	2257321488	KOGCXBUPMTWMMF-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cccc(C(C)(C)C)c1	2259441734	FHABRKARAHXPAB-XJKSGUPXSA-N	248.410	4.844	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@]12CCCC[C@@H]1CC2	2260484944	AUIFYQXVNSJEIV-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@@]12CCCC[C@H]1CC2	2260588413	RVYSRSVHHGEPAG-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@@]12CCC[C@@H]1CC2	2260588700	TXPSBRAQFJXXBP-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@@]12CCCC[C@@H]1CC2	2298720439	DIYVWZWGXIMVIB-FMKPAKJESA-N	236.399	4.598	0	10	BJAE	
Clc1ccc(C2CC2)cc1N[C@H]1C=CCCC1	2300672295	TYKHJUNTCDCTFW-ZDUSSCGKSA-N	247.769	4.738	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCC[C@H](C2CC2)C1	2300691868	ZEYRMGLUNWJEKA-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@](C)(N)[C@]12CCCC[C@H]1C2	2300704969	YSFAVIZRSRLXCJ-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@@H](N)CC=C(C)CCCC(C)C	2300876667	IVTHPRLHULXUBS-PMPSAXMXSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CCC(C)(F)F	2300903313	CODUQUHXRMKBIY-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CCC(C)=CCC(=O)[C@]1(C)CCCCC1(F)F	2300922075	VXNQJGCVDSWOBJ-ZDUSSCGKSA-N	244.325	4.518	0	10	BJAE	
CCC(C)=CCc1ccc2cccc(Cl)c2n1	2300930870	DYPHWMSSDSZYFQ-UHFFFAOYSA-N	245.753	4.787	0	10	BJAE	
FC(F)CCc1cccc(-c2ccccc2)c1	2302272703	DUTNMHKWQNVNCN-UHFFFAOYSA-N	232.273	4.551	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)CC2(C)CCCC2)C1	2302751978	YZEABUAVASFVJJ-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H]1CCC(C)=C(C)C1	2303516376	ODKKSCLAIWOGPS-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC(C)=C(C)C1)C(C)C	2303580241	RXLUMFDLNUTGCE-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)CNC[C@H]1CCC(C)=C(C)C1	2303597972	XADHBWIFMCSTCL-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCCc1cccc(CC(F)(F)F)c1	2307668036	UORRESXIRMHLGT-UHFFFAOYSA-N	244.300	4.770	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1(CC2CCC2)CC1	2307819060	ICAXYHXDUFZVIS-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@]12CCCC[C@@H]1CC2	2307927429	ZJMUIEGRZMAGFL-LZWOXQAQSA-N	236.399	4.742	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCCC1	2309041781	RFTRDFCVPNLEEM-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C[C@H]1CCC[C@@H]2C[C@H]12	2309961018	CTNRAFRWTQPUIR-HGTKMLMNSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC[C@@H]1C[C@H]1C)c1cccc(C(C)C)c1	2311275893	KTVKQLSRBJHWQP-UNEWFSDZSA-N	245.410	4.507	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C[C@@H]1C[C@H]1C1CC1	2313030246	HJYUXNUQVHWGAC-MMTVNHQJSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H]([C@H](C)CC1CCC1)N2	2313644875	LOICYOFCEMSOJO-CJNGLKHVSA-N	243.394	4.548	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCN[C@]2(C)CC)CC1	2315203339	QGLLWQYVVJUNSJ-BFYDXBDKSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1C[C@H]1C1CC1	2315876892	BNASJJMFWNDNOY-HOTGVXAUSA-N	243.394	4.576	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1C[C@@H]2CCC[C@@H]21	2315887215	LTTKRVDXWWJUGG-YQQAZPJKSA-N	243.394	4.719	0	10	BJAE	
CCC(CC)CCC(=O)c1cccc2ccoc12	2316268163	GIZHPTPMNTYOMS-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1CC[C@H]2C[C@@H]2CC1	2316502706	MBWKVROHLDZXLW-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316738484	IHYSEEHKJZAOKX-JYJNAYRXSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316873132	LOGCMYWLWYJXQT-QXKUPLGCSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1CC[C@@H]2C[C@H]2CC1	2317023599	ZMRSYMOKUIBYFE-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1ccc(F)cc1C1CC1	2317058703	AYTLYDFITHTTOK-OAHLLOKOSA-N	249.373	4.529	0	10	BJAE	
CCc1cccc([C@H](O)CCC2=CCCCC2)c1	2317982991	LISZPVZIROQXBD-QGZVFWFLSA-N	244.378	4.563	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cc(C)c(O)c(C)c1	2318428817	RBPHMKPUIIWIOK-SMDDNHRTSA-N	249.398	4.636	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CC[C@H]2CCC[C@@H]21	2318588828	KHRAVQHIQLKHQH-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
CN(CCCC1=CCCCC1)C1CCC=CCC1	2318591843	CIMJRXXMZVSZPF-UHFFFAOYSA-N	247.426	4.698	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2319119785	XMQVYLGEDQJYNN-ZBFHGGJFSA-N	245.410	4.601	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)CC23CCC(CC2)C3)C1	2319122009	RPSZRELYMHIMNO-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)[C@@H]2CCC(C)(C)C2)CC1	2319311227	JJLCADWJDYAHOD-IMJJTQAJSA-N	249.442	4.523	0	10	BJAE	
O=C(CC1CCC=CCC1)C[C@@H]1CC[C@@H]1C1CC1	2319591362	ILIFUKYXUDEXML-DOTOQJQBSA-N	246.394	4.518	0	10	BJAE	
CCCC1CC(C(=O)CC[C@@H]2CC[C@H]2C2CC2)C1	2319695251	CMWUFFSLZIETHR-LVBITLCTSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CCC[C@H]2C[C@H]2C)CC1	2320330461	LDLYVSQFQSXCBG-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](CC2CC2)C2CC2)CC1	2320514853	OLYDOMWPFRYYNH-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C23CC(CC(C)C)(C2)C3)C1	2321588286	DSNSNWDFKKMIBP-RDHHWEPZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCC(C)(C)C1)c1ccoc1	2321640977	ZXCSJXAFNBWLQF-ZFWWWQNUSA-N	249.398	4.537	0	10	BJAE	
CC(C)(C)c1ccccc1NCc1ccccc1	35039710	CILFQVBCAVUFAQ-UHFFFAOYSA-N	239.362	4.596	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1csc2ccccc12	35499701	WDBLZZUSMHFEMX-ZDUSSCGKSA-N	247.407	4.598	0	10	BJAE	
CC(=O)c1ccc2c(c1)-c1cccc3cccc-2c13	35924023	ROFOPTZMZBVXFN-UHFFFAOYSA-N	244.293	4.690	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccc3sccc3c2)C1	36975859	ZVAJQYAJSSSOQG-AAEUAGOBSA-N	245.391	4.892	0	10	BJAE	
CCCC(CCC)Nc1ccc(Cl)cc1F	37056497	MVSALGQMTZAHTH-UHFFFAOYSA-N	243.753	4.860	0	10	BJAE	
CC(C)[C@H](C)N[C@H](CC(C)(C)C)c1ccccc1	37128564	YBLNEWKNJFAUMU-GOEBONIOSA-N	247.426	4.798	0	10	BJAE	
CC(C)c1ccc(C[C@H]2CCCCCC2=O)cc1	43650116	JALUBVTWWQWKHI-MRXNPFEDSA-N	244.378	4.502	0	10	BJAE	
CCCc1ccc([C@@H](NCC)[C@H](C)C(C)C)cc1	70123354	QZSKKGKKNNHOKL-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@@H](CCC[C@@H](C)CC)c1ccccc1	80425081	YUTAVLKOEIKDIM-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
CCCCCCC1(CNC(C)C)CCCC1	82441799	IZIYDCIJTSVWIJ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@H](C)CCC	82816896	LLKUNAYZOMXKBA-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccc(O[C@H]2CCC[C@@H](C)C2)cc1	85151398	ULVCEJOMQSJCIA-CJNGLKHVSA-N	232.367	4.768	0	10	BJAE	
CCC[C@@]1(CCC(C)(C)C)CCCCCN1	85876208	JWXXVHUWIPQUOU-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@@]1(O)CCC[C@H](C(C)(C)C)CC1	87187808	ZPUSKACSORGJFL-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCN[C@@H](c1ccccc1)C1CCC(C)(C)CC1	87943600	LNEOJDBOPUGQTB-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCN[C@H](CC)c1cc2cccc(C(C)C)c2o1	88074825	HBYHYQYSVZLWJG-CQSZACIVSA-N	245.366	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](Sc2cccc(N)c2C)C1	91941375	IRHSBRYIHIXUAC-QWHCGFSZSA-N	249.423	4.638	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Sc1cc(N)ccc1C	91942510	QBXPXMHLVSHOSE-TZMCWYRMSA-N	249.423	4.638	0	10	BJAE	
Cc1cccc(N[C@H]2CCCCC2(C)C)c1C	94274261	LBXRXTCIUBKDQG-HNNXBMFYSA-N	231.383	4.684	0	10	BJAE	
C/C=C\C[C@@H](CC)c1cc(C)c(C)cc1F	107566882	CLOZIFBOINQAPJ-SCXUMTSISA-N	220.331	4.902	0	10	BJAE	
CCCN[C@H](CC1CCCC1)c1ccccc1C	109725501	JVIBATMETUOFCN-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1CC1CCCC1	112869553	QEVRHRFLIVFABY-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1cccc(CC(C)C)c1	131774704	CGNKHLGCPPFBBN-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
Clc1cc(Cl)c2cc(Cl)sc2c1	142922271	VZLJXBDMGPULPG-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
CCCCC[C@@H](O)c1ccc(C(C)(C)C)s1	165597516	VIOJGFRUMUYZCZ-LLVKDONJSA-N	240.412	4.659	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(C2CCCCCC2)C1	167674332	CHACXSYMDZKPNV-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1N	221682013	NFEXGEHKTJTODI-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@H]2CCCC2(C)C)cc1	226560504	FPXLUJJQIGWLSO-CVEARBPZSA-N	245.410	4.636	0	10	BJAE	
CCCC[C@@H](CC)NCC[C@H]1CCC[C@@H](C)C1	226863423	IUNVJOGFKROOBV-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@@H](c2nc([C@H](C)CC)cs2)C1	228578219	UEZQBJZLMKTZFS-IJLUTSLNSA-N	237.412	4.950	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCC12CCCCC2	230162324	FEPYLKPGEDXCTQ-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CCC(=O)c1ccc(N[C@@H](C)C[C@H](C)CC)cc1	233835953	VFPYFSRLWMWVPZ-OLZOCXBDSA-N	247.382	4.516	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1C[C@H](C)CC[C@H]1C	251365348	PURZUDZREBYWEM-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC[C@]1(C)Nc2c(Cl)cccc2[C@@H](C)[C@H]1C	258217480	PALATFPEBGQPDQ-RBZYPMLTSA-N	237.774	4.674	0	10	BJAE	
CC(C)(C)CCC[C@@]1(N)CCC[C@@H](C2CC2)C1	302336642	UDDFGSQTKBVFJC-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N)c(S[C@@H]2CCC[C@@H](C)C2)cc1C	302566223	NTHAHXVSOPDHRQ-ZWNOBZJWSA-N	249.423	4.556	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)CCC1CCCCC1	304190169	UNLPXPKCQWBCHO-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)c1ccsc1C	308035252	SHXZXWZSENRQPE-JSGCOSHPSA-N	240.412	4.552	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1cc(C)cc(C)c1	308056961	QFKMOUNLWIQOFF-OAHLLOKOSA-N	246.394	4.949	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)Cc1ccccc1C	308107785	KXFWBYMCJPGZHN-INIZCTEOSA-N	246.394	4.569	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC1CCCCCC1	309163715	PYYIGIAZESNGPF-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@@H](CCCC(C)(C)C)C1	309996207	ZWRBDAATHBYOOB-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H](n2ccc3cc(F)ccc32)C1	310432582	CNGPIVHIDOGTIJ-IUODEOHRSA-N	245.341	4.922	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)c1cc2ccccc2o1	311035117	FMGVEOOUKSZSSH-UHFFFAOYSA-N	244.334	4.688	0	10	BJAE	
C[C@@H]1CCC[C@@H](Cn2ccc3c(F)cccc32)C1	311161302	YODYAHXIRRYCFQ-CHWSQXEVSA-N	245.341	4.607	0	10	BJAE	
Cc1ccc([C@H](O)[C@H](C)C2CCCCC2)cc1C	311208648	KHYKXWSETBESCR-RHSMWYFYSA-N	246.394	4.553	0	10	BJAE	
CNCC1(C[C@@H](C)CC(C)C)CCCCCC1	316759992	RYOYBVNADUVOOW-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)C[C@]1(CNC)CCC[C@H](CC)C1	316888290	MWRUBNOURHDXAQ-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)C1(CNCC)CCC(C)(C)CC1	317141469	OOYOLFUDLHWUIG-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@@]1(CCC2=CCCCC2)CCC[C@@H]1C	317791977	VARKQZGUSSVMLY-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CCC[C@](CCC2CC2)(CNC2CC2)C1	319030813	IPUNOHKWJXHLET-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]([C@@H](C)C(C)C)C1(CC)CCCC1	319585414	JLWIAODPWCTJDR-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@H]1CCCCC1(C)C)C1CCC1	322492572	YXFAFPIRMCBEPG-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC(C2(N)CCCCCCC2)CC1	379723362	NLHFHLVFKGIOFA-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](C)[C@H](C)CNC(C)(C)C	382667309	PDRPRZVBRGBUMT-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)C(C)(C)C(C)(C)C	383879563	RHJNIHPGKTWNSC-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2cccc3ccsc23)C1	386219721	JMVYDTOUFDBPBU-DGCLKSJQSA-N	245.391	4.892	0	10	BJAE	
c1ccc(NCc2cccc3ccsc23)cc1	386221469	VOKNXLWURDLNLX-UHFFFAOYSA-N	239.343	4.513	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)c1cccc2ccsc12	386240100	AREDZMSLJMHXFJ-FZMZJTMJSA-N	247.407	4.583	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)c1ccsc1	394229500	LJVFFKQMXSWKLX-GXTWGEPZSA-N	240.412	4.562	0	10	BJAE	
CCOc1ccc2sc(Cl)cc2c1CC	396191330	PDODMDUDIJDTBW-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1ccc2c(C)c(C(F)(F)F)sc2c1	396205595	YITFWSOGUAOKRY-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCc1csc2cc(C(F)(F)F)cc(F)c12	396307024	YJJZZFLDIOSEGS-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@@H](Nc1ccc(C)c(C)c1)[C@H]1CC1(C)C	397650357	LRDCXYRHVUAKQB-HUUCEWRRSA-N	231.383	4.540	0	10	BJAE	
Cc1c(C(=O)CC2(C)CC2)ccc2ccccc12	401436795	KAFZQZBPNLGTHZ-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
Cc1ccc([C@@H](N)CCC(C)(C)C2CC2)c(C)c1	405732227	MIBKMLSTYJVNNT-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)CC1CCCCC1	689839298	QZEHTOAUTPYEFF-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1Nc1cccc(C2CC2)c1	690076062	NYRWJKSONMAUAX-CHWSQXEVSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCCCC[C@@H]1C(C)C	691164723	JFRWXTPCYDDBJZ-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@]23CCCC[C@@H]2C3)cc1	693275435	UNQXYSTUSLLMMK-NVXWUHKLSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H](NC1C[C@H]2CC[C@H](C1)C2)C1CCCCC1	697681090	DECPWQSWAHCMJM-GRDNDAEWSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)c1ccccc1F	697771500	KMHFKNLFGUABQE-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CC[C@@H]1CC[C@@](CCC=C(C)C)(CNC2CC2)C1	698056239	PNCSONJJGLZICF-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCCc1ccccc1C(C)C	698081653	CINXDLGEEUHQMN-UHFFFAOYSA-N	202.341	4.709	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2C[C@@H]2C(C)(C)C)cc1	699803752	VUGVKJXGMWQPPL-CABCVRRESA-N	244.378	4.675	0	10	BJAE	
CCCCC1CCC([C@@H](N)C(C)(C)CC)CC1	701183786	NIWJPDHQADNDMG-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CC(C)(C)N[C@H]1CCC12CCCC2	703720685	GINSBLVWIGMLFQ-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@H](C)CC(C)(C)C	704739432	WBUABOSWPIIBAR-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)CC1CCCC1	704932029	YRESRMGZWIURLS-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]21)C1CCCCCC1	707832307	GDOAEWRIJTZCMY-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C[C@@H](O)CCC(C)(C)C)C(C)(C)C	711182719	ZKVIEFDRMQWJHY-OLZOCXBDSA-N	228.420	4.636	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@H]1C[C@@H]1C1CC1	712897727	ARVJTLULNIWMQS-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCCC12CCCCC2	713200044	RQBBAKZEACWEBU-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C=C/C=C\CCc1cc(C(C)(C)C)cc(C)c1O	713683420	KGXHLTZMYPREFK-FPLPWBNLSA-N	244.378	4.673	0	10	BJAE	
CC1(CN[C@@H]2CC[C@@H]3CCCC[C@H]32)CCCCC1	714258055	LXVHHICQBIPOPM-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NCC[C@@H]2C[C@@H]2C2CC2)cc1	714862618	DIACMDSWMSUVQT-NVXWUHKLSA-N	243.394	4.658	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(O)c1cc(C)ccc1C	718688647	FLQUYODCRUQSIZ-QGZVFWFLSA-N	246.394	4.647	0	10	BJAE	
CCNC[C@]1(C[C@H](C)CC)CCC=CCCC1	719090083	QRYQXJLHZGEATP-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](C)C[C@](N)(CC)CC1CCCCC1	720357231	GGQLTEBXKXJRPZ-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@@H](C)CC(C)C	720358992	OEUKGESWNPJUQG-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
C=C/C=C/CCOc1cc(Cl)cc(Cl)c1	1164497769	KFMVSBDIXWGNRC-ONEGZZNKSA-N	243.133	4.505	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)CCCC(C)C	1183573104	QPEZFPFPXNRHCQ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCOc1ccc(-c2ccsc2C)cc1	1240501696	LRYOHUGBFSTETB-UHFFFAOYSA-N	232.348	4.512	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1ccc(F)c(C)c1	1474075456	KCONTXQNHRYMFI-DOMZBBRYSA-N	247.357	4.538	0	10	BJAE	
C[C@H](CC(C)(C)C)NC[C@@H]1CCC=CCCC1	1665879649	FMHNXSPPBDUDBR-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CCN(C)c1ccc(Cl)cc1	1901168765	XZALABGDRFEMAJ-UHFFFAOYSA-N	239.790	4.603	0	10	BJAE	
S=c1cc(-c2cccs2)[nH]c2ccccc12	1903149608	NHOFHIORWJANBN-UHFFFAOYSA-N	243.356	4.626	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](CC)CCC1=O	1905347227	UEUQXQVGQVLWAI-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C=CCCNC(C)(C)C	1905732869	HTGWTDSEBNUWOP-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@H](CCC[C@@H]1C[C@H]1C)NC	1908554434	IYUIFCQVXCOCGA-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@]2(N)CCC3(CCCCC3)C2)CC1	1915890870	CXTAPMJUQCVUKG-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CC[C@@](N)(CCCC1CCC1)c1ccc(C)cc1	1920486531	KQMBUTOBFHPFSR-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CCCCC[C@@H](C)NC[C@H]1CCCC12CCC2	1921592961	RJQPJJOTYVICRS-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@H](C)C1CCCC1	1923882114	OIPIDTQFCXPKJV-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
C1=C[C@H](C[C@@H]2CCCc3cccnc32)CCCC1	1925830015	MIPQXULASFAHGQ-HOCLYGCPSA-N	241.378	4.638	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](C[C@H]2C=CCCCC2)C1	1925886246	CCCBAXACMAYZBS-YVSFHVDLSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@@H]1C=CCCCC1	1925915483	PSYDRELJBHOOPE-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@](N)(CCCCCC1CC1)C(C)(C)C	1936430991	YHSQSXRTLIBACH-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1CC(C)C1)NCC	1940680959	BGZNRQFXSVQGIN-FJBKBRRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)CC(C)(C)F	1940807678	OEDKTUCLXSZGIK-HNNXBMFYSA-N	245.426	4.709	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](NC)[C@@H](CC(C)C)C(C)C	1941262300	BYCOYIZUKDBCCF-YHUYYLMFSA-N	241.463	4.575	0	10	BJAE	
C[C@H](CCCCCC1CC1)C1CCC(N)CC1	1941598387	XHEQJNLJODRTLI-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCC1(C)CC(C)(C)C1	1942074004	SKWQXGBAGGIERT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C1C[C@@H](C)C[C@H](C)C1	1943019035	DOQCMSSIUGPWNZ-XEZPLFJOSA-N	238.415	4.556	0	10	BJAE	
C[C@H]1CC(C(=O)CCCC2(C)CC2)C[C@H](C)C1	1943040246	NLEWHSGKHKNNBO-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@H](N)CCC(C)(C)C)C1	1944203525	OCXOLCQVAWAITC-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(=O)C[C@@H](C)C1CC1)C1CCCCC1	1944594577	VBAIPNAQHWMUNH-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](N)C(C)(C)C1CCCCC1	1944664412	BJRQZPYEGAACJV-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1CCC[C@H]1C)NCC	1944845905	LGHLZAZMTATTPM-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CNC(C)(C)C1CCCC1)CC(C)(C)C	1945381382	DEOLVLZGPSTZMT-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1cccc2sccc12	1945954776	APUDUDHSUGLUOH-NHYWBVRUSA-N	248.391	4.617	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CCCC2)C1)C(C)(C)C	1946454122	DHQIDVOTQVGLQF-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
FC(F)(F)c1ccccc1CC[C@@H]1C=CCC1	1947551607	HNSXXSBMLUDSOM-LLVKDONJSA-N	240.268	4.604	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C[C@@H](C)CC(C)C	1948984185	TZYNPBUEQLFUMR-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CCCC1(C)CC1	1949052113	AXCTVVCKUQJFCE-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)[C@@H]1CCC2(CCCC2)C1	1949435456	TXNDPOFUVIMQKI-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CC1(O)CC2(CCC(C)CC2)C1	1950545697	QSAMCZXBHJJGAF-KXVRIMHRSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@](CO)(CC2CCCCC2)CC1	1950909493	XSESRWDELPLHSR-GOEBONIOSA-N	238.415	4.536	0	10	BJAE	
CCC(CC)C[C@H](O)[C@H]1CCCC(C)(C)CC1	1950913297	GCYUNEUQZHDYRB-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)[C@H]1CCC[C@@H](C)CC1	1950928658	ADVNRHJROJFOGH-UGUYLWEFSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@H]1CCC[C@@H](C)CC1	1950930334	OFZNCUKVPZZQSC-ILXRZTDVSA-N	238.415	4.844	0	10	BJAE	
CCC=CC[C@@H](CC)c1c(C)cc(O)cc1C	1951308550	IQOTWKUDUDJBKB-CQSZACIVSA-N	232.367	4.859	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1C(C)=CCC[C@H]1C	1963238538	UBCIFRKVVJOSEO-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(CN(CCC)CCC)CC1	1968277994	CSMVCGVXWLALMD-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCC1(CC)CC(Nc2ccc3c(c2)CCC3)C1	1968357254	CXOUOFVKFMMXEE-UHFFFAOYSA-N	243.394	4.556	0	10	BJAE	
Cc1ccc(OCC2C[C@H](C)C[C@@H](C)C2)c(C)c1	1968397185	XEUGJSGCVWYAND-ZIAGYGMSSA-N	246.394	4.755	0	10	BJAE	
CCC1CCC(CNc2cc(C)cc(F)c2)CC1	1968595274	MIIIWDOAUZUHAM-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCC1(C)CC1	1968601790	AVWFFUCWGJTMKH-UHFFFAOYSA-N	231.383	4.721	0	10	BJAE	
CC[C@@H](N[C@H]1CCC2(CCC2)C1)c1cccs1	1968963766	ZQOLGVCWIMYBMQ-QWHCGFSZSA-N	249.423	4.512	0	10	BJAE	
CC1(c2ccccc2NCCC2CCCC2)CC1	1973419819	IYLVPPHZTVSGAB-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)c1cscc1C	1976002545	BNNXHKGMBPDUQM-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@@](N)(CC)[C@H]1CCCC(C)(C)C1	1978353000	OQHPFEQPRZQYDJ-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC(=O)CC(C)(C)CCC(C(C)C)C(C)C	1988297935	RQKYOAADHOYJTE-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CCC[C@](N)(CC1(CC)CCC1)C(C)(C)C	1988426091	UQAOAXOTNOWKAE-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC1(C[C@](N)(CCC)C(C)(C)C)CC1	1990637090	FSCXLCZOCMDWAT-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1C=CCCCC1	1990968397	IZUMSBLKMSCHQC-GFCCVEGCSA-N	235.758	4.559	0	10	BJAE	
CC(C)C[C@@H](C)CN[C@@H](C)C1(C)CCCCC1	1995979599	FFOGUFIKFHAKJT-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)Sc1ccccc1NCCC1CCC1	1996564283	OUMYKRMJIDSQTB-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H](NC[C@@]1(C)CC=CCC1)c1ccsc1	1997584993	ATAILAUUNKSJQT-CABCVRRESA-N	249.423	4.535	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@]1(C)CC=CCC1	1997587339	BVHHJGVGKQGYQY-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CCC1CCC1	1998029559	GYXWLWJGGFSSHP-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(=C1CCCC(C)(C)C1)c1cccc(N)c1	2000151271	QMIPFRLFTYRUNG-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C(CC)(CC)CC)C1	2000214652	GJHNIWYSRUDAAU-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C1(C)CCCCCC1	2000319806	JXBUXXVCNYPUOR-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C1CCCCC(NCCCC2CCC2)CCC1	2003095042	KHNODPKJJGLPFP-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCCN[C@@H]1CCCCCCC[C@H]1CC(C)C	2003110554	FCTKTCVPXXYDPJ-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCCC)C(C)(C)F	2003241089	SHYBPLSNCXKZGI-KGLIPLIRSA-N	245.426	4.709	0	10	BJAE	
CCCC1CCC(N[C@H](C)C2(C)CCC2)CC1	2004834026	MNASDZGFRYMSGO-WLYUNCDWSA-N	237.431	4.514	0	10	BJAE	
CCC1(CC(=O)C2(C)CCCCCC2)CCC1	2004941017	BXFXOHGDJSHGFK-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@H](CCC=C(C)C)C1	2006621448	AWFRGKHCNKMTJO-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2CCC[C@@H]2C)CC1	2007682563	BDOPGFKIFWZWRQ-IOSBVQAASA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C)([C@@H](O)CC2CCCCC2)CC1	2007693464	FWGWQRFTDPHJOR-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CCCCN(CC1CC(C(C)C)C1)[C@@H](C)CC	2007830016	OBYAVBHLIYNARD-FHERZECASA-N	239.447	4.569	0	10	BJAE	
CCCCCC[C@H](C=C1CCCC1)NCCC	2007940024	NHABIPSDMLUGPI-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CCCCCC2CC2)CC1	2009404234	LSOWAZOQIFMZLF-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC=CCCCC1(N)CCC(CCCC)CC1	2009610227	FHRBVMDUYPEYLC-UHFFFAOYSA-N	237.431	4.811	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C)CC1)c1ccsc1	2010620917	FXFJHKXCHQWORO-WFASDCNBSA-N	249.423	4.535	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCCCCC12CC2	2011271466	KCTMSFYVNUEPLD-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H](C)C1CC2(CC2)C1	2012414161	WTIFTOLLKULWBO-LLVKDONJSA-N	249.785	4.639	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1CC12CCCCC2	2013267286	PIFYHMUNQXUWCS-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C1CC1)C(C)(C)C	2013268024	WIGXDIRWWZGJJT-GJZGRUSLSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC1(CC(C)C)CC1	2013268066	WRWNWFITFRGQLT-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2(C)CCCC2)c(C)c1	2014338830	QRCSHQMHRXVZKN-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
CCCNC[C@]1(CCC(C)(C)C)CCC1(C)C	2014848330	DQBYIMLARSROGK-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@H](C)C[C@@](C)(O)C1CCC(C)(C)CC1	2015279885	ASHRCCGPYZBHKT-CZUORRHYSA-N	240.431	4.636	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](CCC)C(F)F	2015824209	IFNXEXZOVYQBPA-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C[C@H](C)C(C)C)CC1	2017658618	OOUXEIMWNXFOQM-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CCN(C1CCCCC1)[C@@H]1C=CCCCCC1	2019126079	HYMVLWRNQRIMRM-OAHLLOKOSA-N	235.415	4.530	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)[C@@H](C)CCC(C)C	2019409048	MARPZENQDGMSCH-GOEBONIOSA-N	239.447	4.712	0	10	BJAE	
CCCN(CCC)Cc1ccc2sccc2c1	2019410870	JPLQWEWINQFHMU-UHFFFAOYSA-N	247.407	4.523	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCNC12CCC2	2020576794	ABUGHJFTEFCMTK-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(COc2cccc(Cl)c2)c1C	2024073098	MECDXCNGUUTVEH-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@]1(N)C1=CCCCCC1	2026943345	VYPLCYGKFHFXDO-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
N[C@@]1(CCCCCC2CC2)CCCC[C@@H]1C1CC1	2028645565	RXUCSYSCUWLHKX-SJORKVTESA-N	249.442	4.645	0	10	BJAE	
Cc1ccccc1C(=O)C(C)(C)C1CCCCC1	2032307132	UMOPNPJHHUXPKB-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CCc1cccc(CC)c1NC[C@@H]1CCC[C@H]1C	2032514587	NOWDYACGFJTFNN-CJNGLKHVSA-N	245.410	4.660	0	10	BJAE	
CCc1ccc2[nH]c3c(c2c1)[C@@H]1CCCC[C@@H]1C3	2034149721	UBLKAEMIVMKNSI-CHWSQXEVSA-N	239.362	4.560	0	10	BJAE	
CC(C)(C)C1CCC(NC[C@H]2C=CCCC2)CC1	2035565024	QTSRADHJEJTIBV-FHERZECASA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1	2036320303	LPFRAOVPBCIIJR-BPLDGKMQSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC[C@H]1C[C@@H]1C1CC1	2037129524	DDUNTUQYVBKBFT-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@@]1(N)CCC[C@@H](C(C)(C)C)CC1	2037136014	SSUDIJOAUJTWIG-NVXWUHKLSA-N	249.442	4.833	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)CC1CCC=CCC1	2037207589	BQCVUPYDXPVXII-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037574393	DRWHFVROZRYNBB-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H](C)[C@@H](C)CC)c1ccccc1	2038130379	FQOLJSYAOHMYDP-YQQAZPJKSA-N	247.426	4.800	0	10	BJAE	
N[C@@]1(CCC2CCC2)CCCC2(CCCCC2)C1	2040764718	HDHDOCXRRWGXIK-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC1(C)CC(CCN[C@H]2CCCC3(CCC3)C2)C1	2041290999	VWZRCGQXUDEZEW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCC1)[C@@H]1CCC2(CCCC2)C1	2042735796	ILTCTWHFBIPLON-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](N(C)CC2CCC=CCC2)CC1	2045312560	ZVUGIQPBGGKMKJ-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](C[C@H]2CCC=CCCC2)C1	2045326760	QCXDSLIDCGQEDW-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCNCC(CC)(CC)C[C@H](C)c1ccccc1	2045991448	ZLHWTMILUMOECM-HNNXBMFYSA-N	247.426	4.596	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@@H]1CC12CCCCC2	2047006506	BKIIZWJKVYNTED-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@@H]1CC12CCCC2	2047019805	LHSVZDPGAXJJGY-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H]1[C@H]2CCC[C@H]21	2048377013	OXTNCTAGFZMGPL-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCCN[C@@H](C)C1CCC(CCC)CC1	2049424492	HNLMQSZSMNZUMT-GTPINHCMSA-N	249.442	4.703	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CN)CC1CCC2(CC1)CC2	2049854020	LBTWHHFYIPACCR-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](C[C@H]1CCCC2(CC2)C1)C1(C)CCC1	2049855744	MXRKXBOWEDGHJY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC1C2CCCC1CCC2)C1CCCCC1	2050043591	VEDCWSBKXGTRLB-AXTFLNQGSA-N	249.442	4.514	0	10	BJAE	
O=C(CCCC1=CCCCC1)c1ccc(F)cc1	2050494420	JCAOQUFPBUKHAG-UHFFFAOYSA-N	246.325	4.679	0	10	BJAE	
C[C@@H](N[C@@H]1CC(C)(C)CC2(CC2)C1)C1(C)CCC1	2052332823	XBVPMSBGPPHSTB-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CC1=CCCC[C@H]1NC1CCC(C(C)(C)C)CC1	2055672872	YGGJNCUZDNRBKC-UYSNPLJNSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C=C2CCCCC2)C1	2056917258	QMJDTFRWKSXHKH-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C=C2CCCCC2)CC1	2056921256	YHFXJZMALFMDMS-WBVHZDCISA-N	249.442	4.955	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCC3(CCC3)NC2)CC1	2057367038	OMFSCPRFGOYBDQ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H]1CCCCC[C@H]1CNC1CC1	2059250354	PUGZSPWPXSBFJJ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@]1(CNC2CC2)CCC[C@H](C)C1	2059254499	ZVGVZPNENURPLC-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(NC[C@H]2C=CCCCC2)C1	2059391979	KLAATGBEXBEZSZ-GTPINHCMSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(NC2CC[C@H]3C[C@@H]3CC2)C1	2059395241	IHYMXORESHFYTO-GWUWNPHMSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@]1(CC[C@]23CCC[C@H]2C3)CCCCCN1	2061573954	BYGOSPIWFOMJKY-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)CC[C@@]12CCC[C@@H]1C2)C1CCCCC1	2061608036	UZAFGYSLRIEOFQ-YSVLISHTSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)c1cc(C)oc1C	2070406792	CFBPCUPITJZQGF-JSGCOSHPSA-N	249.398	4.682	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	2070407226	DWUAYFVLGXTCGE-QEOTZNIISA-N	249.442	4.536	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1ccc(C2CCC2)cc1	2071491784	XXCCVZPDHSTBAW-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@@H]2CC23CCCCC3)CCC1	2071945337	FQXBFDMMTDBMCV-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC(=C[C@H]1CCCC2(CC2)C1)C(C)C	2073791482	RJRAOYUVANYXGC-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@]23CCCC[C@@H]2C3)C1	2074092460	XPJNYWSRGMZTPE-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2074111722	FIQKSNXPASDDRZ-AIANPOQGSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@](C)(N)[C@H]2CC3CCC2CC3)CC1	2074623435	HPMMUVXMVDLBPE-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H](CC2(CCF)CC2)c2ccccc2N1	2074623628	JLNRKOZWWKTOIQ-CHWSQXEVSA-N	247.357	4.504	0	10	BJAE	
CN(C1CC(C(C)(C)C)C1)[C@@H]1C=CCCCCC1	2074808615	GGKDRSVLMCNBAV-HWOWSKLDSA-N	249.442	4.632	0	10	BJAE	
CCCC1CCN([C@@H]2CCC23CCCCC3)CC1	2075014808	FMTDBRDBQPXDKM-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCCCCCN(C)[C@H]1CCCc2ccccc21	2075084564	OGHAFFXGYNLRDB-KRWDZBQOSA-N	245.410	4.576	0	10	BJAE	
CC(=C[C@@H]1C[C@H]1C1CCCCCC1)CNC(C)C	2079667445	XAHFQZPFBGPROI-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C1=C[C@H]2CC[C@H]1C2	2081680686	HVEFDRAGZJIINB-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC(=CC1C[C@@H](C)C[C@H](C)C1)[C@H]1CC[C@H](N)CC1	2082141321	WDWURVYOCQLGJQ-PYTWLRIVSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)[C@@]2(C)C=CCCC2)C1	2082986711	NLFFUXKBSWNWEJ-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC(C)CC[C@@](C)(N)c1cccc(C(C)(C)C)c1	2083543465	HSNURKKBSMUHJM-QGZVFWFLSA-N	247.426	4.594	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CC[C@@H]1CC	2212650037	VGJLASDRKLMKLM-GWCFXTLKSA-N	237.774	4.503	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCCCC1CC1)NC	2214585148	TZTWEPADEPRJQS-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@H](C)C1CC1	2214988338	GOPDMEPMIVRGTL-JTQLQIEISA-N	247.769	4.649	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C1CC1)C(C)(C)CCC	2216282121	GMAPPWWIZLZNGB-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(NCCCCCCCC2CC2)CC1	2216893942	LXDZAPDYMNJQEU-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC(C)C)CCCC[C@@H]1C	2217153733	OAOASGHASOIALG-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@H]1C[C@H]2CC[C@H]1C2	2218732612	SNSAREQXHWVKBZ-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C/C=C/c1ccccc1)CC(C)C	2219080256	GQODDQPTMKVLNP-VGMNTSGFSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](O)CCCCC1CC1	2220039666	RJRWFPNDLDBRDQ-IRXDYDNUSA-N	246.394	4.512	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CCC2=CCCCC2)CC1	2221634552	ANKNWLWMDAISIQ-SJORKVTESA-N	247.426	4.731	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H]2C=CCCCC2)CC1	2221638228	ORYFPZYJPYTMOW-DOTOQJQBSA-N	246.394	4.829	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)c1c(C)cc(C)cc1C	2222006595	MURZLCBEEKIGEI-SJKOYZFVSA-N	247.426	4.612	0	10	BJAE	
O=C(C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC=CC1	2222954799	NGARAUKYFXMOHC-IJEWVQPXSA-N	246.394	4.518	0	10	BJAE	
CC(C)C[C@]1(CNC2CCC2)CC12CCCCC2	2223542328	PQVABPWDVFBUTI-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H]1CCc2cc(C)ccc2N1	2224122135	XKBGQBMKTBWSKW-VNQPRFMTSA-N	243.394	4.548	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1ccc2occc2c1	2224165359	GLBWQZUHGJUBDG-OAHLLOKOSA-N	245.366	4.649	0	10	BJAE	
CC(=O)CC(C)(C)CC[C@@H]1CCC[C@H](C)C1	2242770438	PBVFBHCCNRXTOT-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCC[C@H](N)C(C)(C)C)C1	2246658884	DMVMHIQGFVUHQA-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@H](CCSc2ccccc2N)C1	2246724785	FHEATDXCCHPMNP-QWHCGFSZSA-N	249.423	4.577	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](CC1=CCCCC1)NC	2247528125	SNDNCGSHPCYSRW-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCN[C@@H](CCCCCCC2CC2)C1	2249130500	XGCZAYQLCAZYFY-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)CC1CC2(CC(C)C2)C1	2250451047	XWXWRQBNBPCTAX-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@]12CCC[C@@H]1CC2	2251103965	KISGYHOHYHDYDK-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC[C@H](N[C@H]1CC(C)(C)CCC1(C)C)C(C)C	2251680606	DPCKGSNVYUPGJN-KBPBESRZSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNc1cccc(C2CC2)c1	2254503946	GZBHNZRXAQTUJF-DZGCQCFKSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@H]2CCC2(C)C)Nc2ccccc21	2254829699	FKVPXXCFDFNIID-HZSPNIEDSA-N	243.394	4.801	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1CCCC12CC2	2255324787	AODMCHBDTRVJGW-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@@H]1CC12CCCC2	2257302729	KIDIOLFUCLTUOJ-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CCCCC[C@H]1C[C@H]1C)c1cccc(N)c1	2257323124	MOLPYUNBVZWCIM-KFWWJZLASA-N	245.410	4.979	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@H]2CC=CCC2)c1	2257954461	QDMGTKWZBCUGAT-AWEZNQCLSA-N	243.394	4.752	0	10	BJAE	
C1=C[C@@H](Nc2cccc(C3CCCC3)c2)CCC1	2260724770	GJSBKLLNEAMLHC-MRXNPFEDSA-N	241.378	4.865	0	10	BJAE	
CC[C@@H](C)[C@@](C)(O)c1cccc(C2CCCC2)c1	2260732050	UREIFQYEJVGESA-CXAGYDPISA-N	246.394	4.598	0	10	BJAE	
CCCN[C@H]1CC[C@](C)(CCC(CC)CC)C1	2300687896	HNDUKUXBXXNLMF-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC(C)=CCNc1ccccc1C(C)(C)C	2300863932	VPHOGBSDPWUTKU-UHFFFAOYSA-N	231.383	4.752	0	10	BJAE	
CC(=CC[C@H](N)[C@H](C)C1CC1)CCCC(C)C	2300871504	GFJWHZWYBCAYSH-ZBFHGGJFSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)CC1CCCCCC1	2301140225	NEEXUAHEZNOQTR-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N[C@@H]1CCCC(C)(C)CC1	2301686767	XZOLPAYROZTIJK-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
COc1ccc(C(C)C)cc1CCCC(C)C	2302224800	LQSFVTZDNHHDSQ-UHFFFAOYSA-N	234.383	4.797	0	10	BJAE	
CCCCCCc1cc(C(F)(F)F)cc(C)n1	2302229585	WUPORWOTJUTIGW-UHFFFAOYSA-N	245.288	4.532	0	10	BJAE	
CN(CCCC1=CCCCC1)CCC(C)(C)C	2302348507	DDKTUSHWSJBNPF-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CCN[C@H](CCC(C)C)C[C@@H]1CCC(C)(C)C1	2302902596	RBLMMXQHXFFHHI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@@H]1CC[C@@H]1C(C)(C)C	2303513294	ZJUHZZHIBJBLJW-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
CCCNCC[C@@H](C)C[C@@H]1CCC(C)=C(C)C1	2303520445	AVQOAYWPQKWEIU-CJNGLKHVSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](CC)CC1(CNC2CC2)CCCC1	2307747126	MDXSRLSXHOECBZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1(C)CCC(C)CC1	2307818866	GFAYGNWAQJNLEP-FYRZTWFESA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CNCC(C)C)C(C)C	2307924762	FFXOGZHIIVJYID-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CC[C@@H]3C[C@@H]3C2)c1	2309147981	LNJLXFPMIKEGKN-IMJJTQAJSA-N	243.394	4.658	0	10	BJAE	
C[C@H]1C[C@H](CCC[C@@H]2C[C@H]2C)c2ccccc2N1	2310427345	YYXGBPNELIQYGP-BARDWOONSA-N	243.394	4.801	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CC[C@@]3(C)C[C@@H]23)cc1	2310550795	UGWHSJNNUFLMSK-STECZYCISA-N	243.394	4.801	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CC[C@@]3(C)C[C@H]32)CC1	2311021978	DYSYVWQBMPKZSK-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1CCCCC[C@H]1C[C@@H]1C[C@H]1C1CCCCC1	2311569961	ZINGEKZNAUVCFI-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CCN[C@@]23CCCC[C@@H]2CC3)C1	2313311608	NPJATVQPFJWOES-MWDXBVQZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H]1CCCNC12CCCCC2	2313694527	GEVDKPMSROLAMW-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]([C@@H](C)CC1CCC1)[C@]1(C)C=CCCC1	2313706211	ZXFCVDZASLUJSD-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(C(=O)[C@H]2CCC[C@@H](C)C2)ccc1C	2314701286	AZYBOXGIRBDIFA-DOMZBBRYSA-N	244.378	4.566	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(N)(CC1CC1)CC1CC1	2315434977	RCLVXCAHTQXUJJ-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1	2316501563	FTWZZTFJJXMLBW-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
N[C@H]1[C@H]2CCCC[C@H]2C[C@H]1CC1CCCCCC1	2316871240	YYOYMPKYGXECPF-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(F)cc1NC(C1CC1)C1CC1	2317930783	YPOTXVGLLSTILS-UHFFFAOYSA-N	247.357	4.550	0	10	BJAE	
CC(=C[C@H]1CCC(C)=C(C)C1)C1CCC(N)CC1	2320329467	IBRQOTUSNKBMFW-GTPINHCMSA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@H](COc2ccc(C)c(C)c2)CC1	2320348692	SPWJOMDPTQCSFC-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CC[C@H](C(C)C)C2)CC1	2320349061	WJZPUBUDGNSQBH-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
C=CC=CCC[C@@H](O)c1cccc(C2CCC2)c1	2320652540	WOPRBCQBLACKTL-QGZVFWFLSA-N	242.362	4.510	0	10	BJAE	
CC=CCCC[C@H](N)c1cccc(C2CCC2)c1	2320654913	FXXIIEWAJFXVEU-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CC[C@@H](C)c1ccc(C=CCCC(C)=O)cc1	2320795395	BYSARUAJXCCJNM-CYBMUJFWSA-N	230.351	4.583	0	10	BJAE	
CNC[C@]1([C@H]2CCC[C@H](C)C2)CCC(C)=C(C)C1	2326704423	MSMPIPGKGAKQIB-JQFCIGGWSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)N[C@H](C)c1ccc(CC(C)C)cc1	19233136	IRTBCWYZFFNQHI-CQSZACIVSA-N	247.426	4.724	0	10	BJAE	
CCc1cccc(N[C@@H](C)c2ccc(C)s2)c1	20020652	OCZFCLGLQACCDR-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CCCCCc1ccc(N[C@@H](C)CC)cc1	20563581	CRJZFPGNPVYLMX-ZDUSSCGKSA-N	219.372	4.630	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccc(C(C)(C)C)cc1	21786347	FRDALDFECWRODC-CHWSQXEVSA-N	233.399	4.831	0	10	BJAE	
CCCC[C@@]1(C(C)C)Sc2ccccc2N1C	39118911	NDSAUICGXJOYOB-HNNXBMFYSA-N	249.423	4.771	0	10	BJAE	
CC(C)c1ccc(Sc2ccccc2)cc1	39150455	QDGGKVQZQCHILQ-UHFFFAOYSA-N	228.360	4.961	0	10	BJAE	
CC(=O)c1ccc(S[C@@H]2CCC[C@H](C)C2)cc1	54691623	DHFAGPMLIDZHPG-XHDPSFHLSA-N	248.391	4.560	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(Cl)cc1F	68986514	MVFXZYHKQGDTLM-LLVKDONJSA-N	243.753	4.860	0	10	BJAE	
Cc1c(Cl)cccc1NCCC1CCCC1	78526211	MHLXUURKPLFRRX-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cccc(Cl)n1	82461262	RTDRHUYFKRKONO-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CCCCC[C@]1(N)CCC[C@H](CCC)CC1	83437440	SPEDMAOVGXWDDF-GJZGRUSLSA-N	225.420	4.645	0	10	BJAE	
CC1CCC(CNc2ccc(Cl)cc2)CC1	84330826	UWRIJLMIWMICRO-UHFFFAOYSA-N	237.774	4.578	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(CC2CCCC2)CC1	87187744	DAPKZXKTZDTPPJ-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H]1CC[C@H](CC)C1	88018712	VTBMPARGXOUYPW-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)C1CCC(C)CC1	93676210	ACHWBGDOTYVBTG-VGOFMYFVSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)c1cc(C)ccc1C	109945058	DGTMJPXHKTYQSD-LSDHHAIUSA-N	233.399	4.533	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)c1ccc(C)cc1	111648187	LCIBODOLFFGIGK-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
CC(C)CCCC(=O)C12CC3CC(CC(C3)C1)C2	128185631	DYIDRTYHBNXKDI-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCCCC2CC2)CC1	161489017	TXFSWFYGMZXQMM-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1cccc(C)c1C	163452598	RFMOSDOPSPJCDH-ZBFHGGJFSA-N	233.399	4.520	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)C(C)(C)C	164665927	RQRNUVNQZWRYIM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCCCC(=O)c1ccccc1SC	164724798	MHZBGXPJBOCXML-UHFFFAOYSA-N	236.380	4.562	0	10	BJAE	
CC(C)(C)c1sc2ccccc2c1Cl	166719083	OSAIYKLZSJFCGH-UHFFFAOYSA-N	224.756	4.852	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc(F)c2ccccc12	167194829	MZXYDIDRXPYBPD-LLVKDONJSA-N	244.309	4.598	0	10	BJAE	
N[C@H](c1ccccc1C1CCC1)C1CCCCC1	169013114	LKTYOVUEPKZYHM-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CCCCC[C@@H](C)NCCCC1CCCC1	225077152	VHBOCFDQUAMKPJ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1c(C)cccc1Cl	229639219	HRHNBJOMEYBYAE-AAEUAGOBSA-N	237.774	4.639	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H](C)CC1CCC1	229668173	IGDFEGXUHYZUHD-JTQLQIEISA-N	237.774	4.639	0	10	BJAE	
CCC1(CN[C@@H](C)c2ccc(C(C)C)cc2)CC1	233083596	BMRLXDYNKAFVED-AWEZNQCLSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H](C)CCC	233162553	CNYOYWVMNCPWTL-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(C2=CCCCC2)CC1	233415387	NKIYKSJXFZRJMC-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@](O)(C2=CCCCCC2)CC1	234067265	PQVZBEBUMXONHK-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC)CC[C@H]1CCCC[C@H]1CC	250374956	FEBWWHBEKRJTHL-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(O)(CCCC(C)(C)C)CC1	300781360	BHJOZJCFHCBPCZ-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(C)c(CC)c1	300895672	PHCGEZLGRZESJX-CQSZACIVSA-N	219.372	4.548	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](CCC(C)(C)C)NC	302244990	AEVJKRKNVQLMLH-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)c1ccc(C)cc1	302341729	VAEVFLJXTBNOJN-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCC[C@H](Nc1cc(C)ccc1Cl)C1CC1	304382165	WVEFSISBHWSNDX-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@H](C)C(C)(C)C	305965798	PECFMHMYVMCNMG-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1cc2c(Cl)cc(C(F)F)cc2s1	306575520	JILSKPKSXSSMFD-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1cc(C)cc(C)c1	308053298	IXVCGPJFJXSKMI-AWEZNQCLSA-N	232.367	4.558	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CC1(C)CCCC1	310385456	JZJTUJRAARQBSF-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)Cc1ccccc1	310476796	CJXAVSDMNXDRQA-DOTOQJQBSA-N	247.426	4.553	0	10	BJAE	
CCC[C@H](N[C@H](C)c1ccc(C)cc1C)C1CC1	310639539	ASIQBCBBXZEZBI-PBHICJAKSA-N	245.410	4.533	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cc(Cl)ccc1C	319673269	DHFROHBGISMUPY-KOLCDFICSA-N	238.758	4.513	0	10	BJAE	
CCCCCC[C@@H](N)C(C1CCC1)C1CCC1	379752641	AZFPWLFWRMAQOG-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@H](CC)C[C@H](C)C1CCCCC1	379966380	FUJAQRYTGKKHBG-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1CCCCC1(F)F	382013772	ZPRWBWOFPAYCNZ-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCCCC[C@H](O)c1sccc1F	383470826	CNWGVCPPAADXRL-LBPRGKRZSA-N	244.375	4.527	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@H](C)C[C@@H]1C	383555421	RBDKNDYTQMZBRB-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H]1CCc2ccccc2C1=O	384551106	WEUBGUXYZPJMJV-UKRRQHHQSA-N	244.378	4.504	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1N[C@@H]1CCCCC12CCCC2	385842395	NVGQLPUAARZKJS-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cccc2ccsc12	386287050	GVKACHRBEZBAKU-SMDDNHRTSA-N	248.391	4.761	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)c1cccc(C)c1C	386446599	QSFDQUQTPWFOAE-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCc1ccc(C(=O)[C@H]2C[C@H]2CC(C)C)cc1	387807486	JIDFTZSLWIGNEE-CVEARBPZSA-N	244.378	4.504	0	10	BJAE	
Cc1cccc([C@@H](C)NCC(C)(C)CC(C)C)c1	391185317	MOKRYZFUONDJBX-OAHLLOKOSA-N	247.426	4.718	0	10	BJAE	
CCC1([C@H](N)CCC2=CCCCC2)CCCC1	395092396	RKBISCBHWWSWEX-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CCCc1ccccc1[C@@](O)(CCC)C(C)(C)C	395392194	YFERVSVXLBPVCE-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCN[C@H](CCC1CCC1)C1CCCCCC1	398856024	PQBHYHSDRXUTQZ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(CC)c([C@@H](O)[C@H](C)C(C)(C)C)c1	399192067	WKRFCNQXVQBYQG-LRDDRELGSA-N	248.410	4.527	0	10	BJAE	
C[C@H](C(=O)CCC1=CCCCC1)C(C)(C)C	399329879	UOWSPAYTVPHLIG-GFCCVEGCSA-N	222.372	4.518	0	10	BJAE	
CCCNCC/C=C(\C)c1cccc(C(C)C)c1	688967316	MWTGNBTUNKWGKZ-OVCLIPMQSA-N	245.410	4.603	0	10	BJAE	
C[C@@H](Nc1cccc(C2CC2)c1)c1ccccc1	690160747	FSAAFOOUZHEENB-CYBMUJFWSA-N	237.346	4.737	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccc(C3CCC3)cc2)C1	690160807	JWBDINZECJCSDQ-DYVFJYSZSA-N	243.394	4.945	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@H]1CCCC1(C)C	696558691	DUPHCKDQSJGLDK-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)CC(C)(C)C	696644316	IJTKOLJFZDURCK-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC(C)(C)C(C)(F)F	697098567	VTQICVPVOGKYQG-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
CCCC1CCC(C(=O)CCC=C(C)C)CC1	697779207	DMDGUPXTIXCSSI-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1C(=O)CCC1=CCCCC1	699810713	KEXACEDGSDWCGG-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1CCCC(F)(F)C1	700347835	UNAXKPXGDSVZKB-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC(C)(CC)[C@H](O)C1(C)CCCCCC1	701099849	ZGKSKJFCEXQBRW-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)CCC(C)(C)C	704876867	HMPLGWVUTQVMPP-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CCC(C)(C)CC[C@](N)(CCC(C)C)C1CC1	704880498	IEMVTFRLFIUDED-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@@](C)(N)CC(C)(C)C)C1CCCCC1	704890807	QCFVPWURHNXDEC-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)CC1CCCC1	704932027	YRESRMGZWIURLS-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(N[C@H]2CCCC23CC3)cc(C)c1Cl	706604190	ZEJRODSJLFIPHU-ZDUSSCGKSA-N	249.785	4.701	0	10	BJAE	
C/C(=C\CCNC1CC1)C[C@@H](C)CC(C)(C)C	709085572	ODDBSOSBARSIPK-WTWVRAIASA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)[C@]12CCCC[C@@H]1C2	709231380	YEAPTAWKJSSUFV-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)Nc1ccc(C2CC2)cc1	709691224	IEDJVMRGHKOKJY-UHFFFAOYSA-N	231.383	4.945	0	10	BJAE	
CCC(C)(C)C[C@@H](C[C@H](C)c1ccccc1)NC	710178309	DIOBHCGPEUJDFF-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
C[C@H](C[C@]1(O)CCC(C)(C)C[C@H]1C)C(C)(C)C	710736386	JRFSPEYCDYRGMR-XJKCOSOUSA-N	240.431	4.636	0	10	BJAE	
c1cc(C2CCC2)ccc1NCCCC1CCC1	711148349	OSRLPOCEGYZZGD-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
C[C@H](Cn1ccc2cc(Cl)ccc21)C(C)(C)C	711154097	WBFJUWCSAAJLFS-LLVKDONJSA-N	249.785	4.977	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1C[C@H]2CCCC[C@H]21	712425518	QWVHSYWILGHXNI-FRFSOERESA-N	243.394	4.801	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)[C@H](C)C1CCCCC1	713144467	CICTYNUFTSRVNY-UKRRQHHQSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@H](NC)C1CCCCCCC1	713176402	XKCNYTGFCVGGQL-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C=C/C=C/CC[C@@H](NC)c1ccc(C(C)C)cc1	713733867	IPGJNKFAGPZDOK-DKRLNXSXSA-N	243.394	4.593	0	10	BJAE	
C[C@H]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1	714411346	MYXIMKWKWPPFCZ-GXSJLCMTSA-N	248.757	4.510	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC1(C2CCC2)CCC1	717810559	ITFYXNWOUYZHLD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H]1[C@H]2CCCC[C@H]21	718637295	ZPNJGBBEKDNTOJ-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C1CCC(C)(C)CC1	718695451	VMBBKTHJBVTEDM-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCCCCC2(C)C)c1	719259491	JYBRYKGGGGIQNZ-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
CC(C)[C@H](C)SCc1ccc(C(F)F)cc1	1165743623	AJBZYKBEWDAPMU-JTQLQIEISA-N	244.350	4.902	0	10	BJAE	
CC(C)CCCCNC[C@H]1CCC=CCCC1	1207762792	BJZVTEBUDYCHHZ-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCc1ccccc1CSC(CC)CC	1651796733	HLGVYFDOIZECNJ-UHFFFAOYSA-N	222.397	4.671	0	10	BJAE	
Cc1cccc(CCCC(C)C)c1Cl	1889493591	GQJDMPIRRXWPSN-UHFFFAOYSA-N	210.748	4.627	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC1(C)CCCC1	1900595352	XPECXGVLJXEVBH-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCC[C@H](CC)C1	1900711844	HAVYXAILJIVBCS-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CC)C[C@@H](C)CC	1905352781	FEBBINHYCKQPTK-SOUVJXGZSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1(CCC)CCC1	1905375086	UBGMZDSLOJTWFA-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)c1cscc1C	1905448969	ZMAKOCOHDWGIFN-OCCSQVGLSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](CC(C)C)NCC	1905455111	XTZVKDQQHDNVJT-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC=CC[C@H](CC)c1ccc(C)s1	1912036684	RWMWIHGYZQFOCE-LBPRGKRZSA-N	208.370	4.906	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(CNC2CC2)C=CCCC1	1916562856	HJTKQYSNDMABLT-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)c1ccc(Cl)s1	1919959335	ABWCPNIMHFHHFX-LBPRGKRZSA-N	246.803	4.579	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CC(C)(C)C(C)C	1919960829	PMSLCMPOMBEWBU-ZFWWWQNUSA-N	228.420	4.636	0	10	BJAE	
CCCCC[C@@](C)(N)c1ccc(C(C)(C)C)cc1	1920460631	JZKSJIZKRUCSRN-QGZVFWFLSA-N	247.426	4.738	0	10	BJAE	
C[C@@H](CCNC(C)(C)C)C[C@@H]1C=CCCCC1	1925890396	FIIPGXXRTCHJFG-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C[C@@H]1C=CCCCC1	1925915671	QQYJOYSSGUSAEL-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)CC(CC)CC	1926152924	OTMJOFHCUQWZQI-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCC2(CCCC2)C1	1926163766	CYYNHPBRNHWZHT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cc2cccc(C)c2o1	1926380079	PUGRZLPGNSTXIC-CQSZACIVSA-N	246.350	4.601	0	10	BJAE	
CCCC(C)(C)NC1CCC(C(C)(C)C)CC1	1940156309	VMGGPMJNLQTQPW-UHFFFAOYSA-N	239.447	4.760	0	10	BJAE	
CCC1(C(=O)CC2(C)CCCCC2)CCCC1	1940385201	OQHDHIHKOVQAOY-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCC(C)(CC)CN[C@@H](CCC(C)C)C1CC1	1941357527	MMWINRHZEDRXIJ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)(CCCC1CCC1)[C@@H]1CC1(C)C	1941470672	TWXFGYSNIJKLFU-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cnc(-c2ccc(C3CC3)cc2)s1	1941960975	MLSHFUUEUWANRZ-UHFFFAOYSA-N	243.375	4.811	0	10	BJAE	
CC1([C@H](N)c2sccc2C2CC2)CCCCC1	1942506436	UMHNRZSIDFAZPB-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
CCC(C)(C)CC(=O)[C@]12CCCC[C@H]1CCC2	1944237714	DXBLCDGQYALKCD-BBRMVZONSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cccc2sccc12	1945957526	ICHADIOZTBRYAP-NHYWBVRUSA-N	248.391	4.761	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NC1CCCCCCC1	1947454274	RBDVWKGGQISXHO-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@@H]1CCC	1947469675	RKBRICHTIWBDKQ-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)C(C)(CC)CC	1947592858	MWRBBRSWHLRPJX-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@]1(CN)CC12CCCC2	1948075220	ZZNNUXIIDJNOGI-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)NC[C@H](C)CC(C)(C)C	1948333584	SVSARHODRGVYOS-ILXRZTDVSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC(C)(C)C)CCC1(C)C	1949662682	RGBHJQICDQKGKF-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](N)CC1CC(C)(C)C1	1949736747	TVWRFCNSXSCOFN-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC[C@@H](O)CC1CCCCC1)C(C)(C)C	1949907172	LGQNBMWKSJJNSZ-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)CC1(O)CC2(CCC(C)(C)CC2)C1	1950543595	DPIRKPJQOXNUGH-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCCC(C)(C)CC1	1950919467	PDZPILKNOZRLBA-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@H]1CCC[C@@H](C)CC1	1950921587	HAYDEGMZNGOJQN-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](N)[C@H]1CCCC(C)(C)CC1	1950924094	XPBMCPYVLDQNCF-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@H]1CCC[C@H](C)CC1	1950929140	DVXZYARNWXIEST-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CCCC(C)(C)C)CC1	1950929498	HPUSFODLONDXSM-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C1(CC)CCC1	1951237863	FCAUXEHKZIGGMK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(F)c(NC(CC2CC2)CC2CC2)c1	1968342014	TWVMXJHQNDHTGR-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
C1CCCCN(CC2CCCCC2)CCCC1	1970126097	PKGPAJDDEIBHQB-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
Cc1cc(O[C@@H]2CC[C@H](C)C2)c(C)cc1Cl	1989926364	LZSMKJKJJYHKPT-JOYOIKCWSA-N	238.758	4.524	0	10	BJAE	
CCCCN([C@@H](C)CCC(C)C)[C@H](C)CC	1990894045	RWQUWWIVYMDGSG-CABCVRRESA-N	227.436	4.712	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1cccc2sccc12	1996613274	PQDSTNWTZOWVFB-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CCC[C@@H](C)[C@]1(O)CCCC2(CCCCC2)C1	1996646159	RMVKZMPOGQNMAP-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CC)[C@@H]1CCCC2(CCCCC2)C1	1996647918	SYCCRFUKPATRQL-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NC1CCCCCC1	1997428514	GYLJLJRJWIXZLF-MRXNPFEDSA-N	237.431	4.658	0	10	BJAE	
CCC[C@@H](NC)C1CCC2(CCCCC2)CC1	2000273016	IHSMHGMGFCUNGL-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)[C@@H]1CCC1(C)C	2000483487	MZWKTJITSMDHGS-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@H](C)C1CC1	2000515058	PNHVUVPGJKHUKI-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@]1(CNCC)CCC12CCC2	2001851310	MOJRXLYWMLUUEB-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1CCCCCCC[C@@H]1N	2003106464	RJLZWLONIJOBBI-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C[C@H]1CCC2(CC2)C1)NCCC	2003217599	LCUFLNPSPPVSOP-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCC[C@@H](O)c1cccc(C)c1	2003628199	UOKILBFJUSXJTF-OAHLLOKOSA-N	234.383	4.635	0	10	BJAE	
CCCCC[C@]1(CNC)CCCCC12CCC2	2005565233	SCUSMAHLONTVDA-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CC1CCC(C)(C(=O)CC(C)(C)C(C)C)CC1	2007683938	WTXOMXIOGKTFEI-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)CCC2(C)CC2)C1	2009550737	BDGCXGKMGJMODC-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCCC1CC(N)(CCC2CCCCC2)C1	2009789593	KQNZSKBRIIXIQE-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](CC)CC1=CC[C@@H](C(C)C)CC1	2010761724	GVQJVENFXFCXSN-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC1=CC[C@H](CC)CC1)CC(C)C	2010768808	LPHMAWVYDUOHPB-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1C[C@H]2CCC[C@@H]2C1	2011952999	YDENXFHSXXYERG-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC(C)(C)C1CCC1	2013262640	CLTVVLGAJZHIFX-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1([C@H](O)C[C@H](C)C(C)C)CCCC1	2015278450	OHOMKGPYCYMGQT-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@H](N)C2CC(C)(CC)C2)CCC1	2015639671	JGZNYTDYLSBWRM-SLTAFYQDSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C(C)(C)CCF	2016763936	BIGYISGYAUASKU-ZDUSSCGKSA-N	245.426	4.567	0	10	BJAE	
CCC1CCC(C[C@@H](CC)CNC(C)C)CC1	2017721736	CCASKKWTTWFRGZ-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@H]1CC12CCCCC2	2017794628	UFYIUCXKCHAKHM-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCCC12CCC2	2018131255	SCAYMRLTGAOJOS-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCC[C@H](C(=O)C[C@]12CCCC[C@@H]1C2)C(C)C	2018634473	YGUHQHUMSQBWTD-IJEWVQPXSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCCC[C@@H]2CC)CC1	2018957650	RHPJAEZFINMLOJ-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@@H](NCC)C2(CC)CCC2)CC1	2018995686	IOPSCIWYVZZPAU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)N(C)[C@H]1CCC12CCCCC2	2019256542	NHBPXOLIZKPLIK-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H](C)CN(C)[C@H]1CCCC(C)(C)CC1	2019289463	BITPGTZRVHECKA-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CC(C)CN(CC(C)(C)C)C1CCCCCC1	2020504198	MVOCENOFIADJPZ-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CCC1)C(C)(C)C	2021027309	WAUCYNVYWPJFAI-GFCCVEGCSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@H]([C@H]1C[C@@H]1CCC)C(C)(CC)CC	2022386349	XTORBAXBPBIIBE-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1cccc2ccsc12	2022495654	KTGFFKZBSQAMHB-QWHCGFSZSA-N	245.391	4.749	0	10	BJAE	
CCCC[C@H](CCCCCC(C)(F)F)NCC	2023298457	AHQSSXIMVICKGU-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)C[C@H]1CCCC(C)(C)C1	2024123846	NDWSFIFLONZWHG-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@H]1CCC(F)(F)C1	2026064517	XMBPDRWBGYZAJT-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
N[C@H](c1ccccc1C1CC1)C1CCCCCC1	2028550005	ROJBFNDHZSDVBJ-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CCC[C@](O)(c1ccccc1C1CC1)C(C)(C)C	2028560370	PRFLTWLPLKMRSQ-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1cccc2c1CCC2	2029745727	RZIZUCKPCCJDSC-CYBMUJFWSA-N	244.378	4.574	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@]12CCCC[C@@H]1CCC2	2031797830	HDEULGIAAHVZIJ-NCOADZHNSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCC1)C1(C)CCCCC1	2035576645	REJDOPLVIMIBQM-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCC1)C1CCCCCC1	2035600580	MIDNNJRMVDCXES-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)C[C@@H](C)c1ccccc1	2037106599	KBYOOROBZJNLCO-UXLLHSPISA-N	247.426	4.580	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1C[C@@H](C)C(C)(C)C	2037224492	HCTXGPSHQUPLGA-NFAWXSAZSA-N	245.410	4.904	0	10	BJAE	
C=CC=CCC[C@@H]1CCC(C)(C)[C@H](NCCC)C1	2037870392	JRGOZCKGPJVNRZ-HZPDHXFCSA-N	249.442	4.703	0	10	BJAE	
O=C(CC[C@@H]1CC[C@@H]2C[C@@H]2C1)CC1CCCCC1	2038176670	WOYBXXPCNDXWDD-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N[C@H]1CCC1(C)C)C2	2038934523	USVITUKJQDEZOF-AWEZNQCLSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)C1CCC(CC)CC1	2042024712	OHWXGNKGFNKZRW-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
CCNC[C@@]1(C[C@@H]2CCC=CCCC2)CC1(C)C	2045326387	MUGQJDZQTLPEGY-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
C=CC=CCCC1(O)CCC2(CCCCC2)CC1	2045664890	AIXGEWMEGZNJRT-UHFFFAOYSA-N	248.410	4.764	0	10	BJAE	
CCCC1([C@H](NCC)c2ccccc2C)CCC1	2045800790	YTTPKIRQLATHHK-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC(C)=C(C)CCC1(N)CC2(CCCCCC2)C1	2046229715	GVSQKDUMNGZCTF-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
N[C@H](CC[C@H]1CC12CCCCC2)CC1CCCC1	2047017878	YRCYFTVBWSYVES-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C1=C[C@@H](N[C@H]2CCCCC23CCCCC3)CCC1	2047595313	ILBQLLNZZGFKEL-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1[C@@H]2CCCCC[C@@H]12	2048363493	PYGWBNVVMMMZJA-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCCC1CC1)C[C@@H]1CCCC2(CC2)C1	2049849155	OHJYMBGXBNXNIV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)CC1CCC2(CC1)CC2	2049858109	OHMCLVGANASSCI-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)[C@@]1(C)C=CCC1	2050006022	KFGPOHKSTQUKCE-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@@H](O)c1cccc(C)c1	2050426641	PTONWYSBCYITBM-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
CCCC(CCC)CNCc1cc(C)cc(C)c1	2052169330	QEZYVYBYICHBDI-UHFFFAOYSA-N	247.426	4.609	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1(C)CCC1	2052351902	KECONEIQGOGYQO-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](c1cc(C)oc1C)C1(C)CCCCCC1	2052468343	BTLFOKYPHBQCFO-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CCC[C@@H](NC[C@@H]1CCCCC12CCC2)C1CC1	2053435234	BBPDNRUVNVPNBS-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CNC(C)C)(C2CC=CC2)CC1	2053696093	WSDGRERDIRTVEK-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCCCC[C@H]1C1CC=CC1	2053706883	LVHTYXQQJCWRIO-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1CCC[C@H](C(C)C)CC1	2055671463	INZDXUOKUBPFDG-BBWFWOEESA-N	249.442	4.680	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C1CC(C2CCC2)C1	2057485475	CETMSZZQNLBGRZ-JCYILVPMSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCC(=O)c1cc2cc(C)ccc2o1	2059203570	LPFDIAWWCOYAHO-ONEGZZNKSA-N	242.318	4.670	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NCC	2059261937	ILBICBJZIKFBRN-UFXMREIHSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC=C([C@]2(O)CCC3(CCCCC3)C2)CC1	2060916968	AGHCDVDAKUZJKK-PBHICJAKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(C2=CCC(C)(C)CC2)C1	2061112645	HZMFJJQFZOXXLM-CXAGYDPISA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@](N)(C1=CC[C@@H](C(C)(C)C)CC1)C1CC1	2061120292	WKRPHUORGQGIBM-DYVFJYSZSA-N	249.442	4.523	0	10	BJAE	
CC(C)NCCC(C)(C)CC1CC(=C2CCC2)C1	2061669896	ZHRLTYUVMUMPNJ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC2CC(=C3CC3)C2)CC1	2061737451	RDWJBMVREXJRFO-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC(C)c1ccc([C@H](O)CCC[C@H]2C[C@@H]2C)cc1	2062602491	JAVIYSXVIDBVEA-RRQGHBQHSA-N	246.394	4.670	0	10	BJAE	
CC(C)(CC(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CC1	2063417554	DDDNCVSQXLZLLE-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CC1(C(=O)CC2C[C@@H]3CCC[C@H]3C2)CCCCC1	2063524940	QADHFLSMZXXPQM-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CC23CCC(CC2)C3)C1	2065274906	NPNHFMQHXFBEAR-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CCC2)C1)[C@H]1CCC1(C)C	2068338488	ZDCQXVJXRPKFLT-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CC[C@@H]2C2CC2)CC1	2072797510	ZXNNKOKDAAERSP-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CCc3ccccc3N2)CC1	2072813554	VBINUFSLDPVASQ-DZKIICNBSA-N	243.394	4.630	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C2CCC2)C2CC2)CC1	2075339875	YKRNNJYEKNNIKC-SHTZXODSSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H]2C=CCCCC2)CC1	2075370069	KLOPRYZXOZZHJG-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC=C(CC)[C@](C)(O)c1ccc(C(C)(C)C)cc1	2077192111	KDNXONCYJWKWET-KRWDZBQOSA-N	246.394	4.548	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@H]2C[C@@H]3CC[C@@H]3C2)c1	2077262702	CZVJFZMHUKJVIS-QDMKHBRRSA-N	241.378	4.555	0	10	BJAE	
CC(C)C1CC(Nc2ccccc2C2CCC2)C1	2077264236	NBIOAZCQKRLUSF-UHFFFAOYSA-N	243.394	4.801	0	10	BJAE	
O=C(CCCCCC1CC1)[C@H]1C[C@H]1C1CCCC1	2079484642	IKFASFOFECPPBV-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC1CC(CC(=O)[C@@H]2C[C@@H]2C2CCCCCC2)C1	2079489000	WLSJMNFPCXAUFG-BCAXMMLOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1C[C@H]1C1CCCCC1	2079530037	NFYAUNDRZVJUNU-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@H]1C[C@H]1C1CCCC1	2079852997	TWPUITWOOAAWJG-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(CNC(C)C)([C@@H]2C=CCC2)CC1	2081681977	LAYVDEUZNCKZEP-AQFXKWCLSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(C[C@H]2CCCNC23CCCCC3)C1	2083817732	NIXWEJNJICIULP-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)N(C)CCCCCCC1CC1	2213583473	SJKAMKSWSIUVJW-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C[C@@H](C)CC(C)(C)C	2215335694	AGAZKIUCWWTXGD-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC1(C)CC2(CCC2)C1)NCC	2215399927	AIWQKBLGDUOBNM-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@@H](CN[C@H](C)CC)C1CCC1	2217125532	QFLCNFKZDONDEK-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@]1(CN[C@H](C)CC)CCCC[C@@H]1C	2217130850	UUTIGDORFNHTQW-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCCCC1CC1)[C@@H]1CC12CCCCC2	2220031388	UXTLRLVHOZXOGE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](Nc1ccnc(C(C)C)c1)C1CCCC1	2220866479	PHEKCVRWUSMEIA-HNNXBMFYSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CC([C@@](C)(N)CC2(C)CC3(CCC3)C2)C1	2221041932	VKGHQNFRFOXHEP-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@]1(C)CC=C(C)CC1	2221613960	SXEZTCDSRYOTHR-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CC1=CC[C@@H](NCC(C)(C)C2CCCCC2)CC1	2221666664	YTMFYASYRQTXCB-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@]1(N)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222983562	YWHDGWCLLQIUSU-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](CN[C@@H](C)CC)c1ccccc1	2223563540	UZHHDLDMDZALTL-DOTOQJQBSA-N	247.426	4.739	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1ccc2occc2c1	2224139032	HJGQBFWYBGBKER-BLLLJJGKSA-N	246.350	4.539	0	10	BJAE	
CCC[C@H](CC)C(=O)c1csc(C(F)F)c1	2244781953	GGQLSOOYMYNBGF-QMMMGPOBSA-N	246.322	4.695	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CCCC12CC2)C(C)(C)C	2247666484	SLTYPDJLHMNBJG-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H](C)[C@@H]2CC23CCC3)c1	2248283433	NRZPFFVBPYNGDX-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CC[C@@H](CNc1cc(C)c(C)c(C)c1)C(C)C	2249486234	LZLAKBQNIWULEB-HNNXBMFYSA-N	233.399	4.706	0	10	BJAE	
CC(C)C[C@@](C)(O)CC1CC(CC(C)(C)C)C1	2251490837	DQISFXNTTLTIBM-ZBCRRDGASA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](N)CC[C@@H]1CCCCC12CC2	2253839175	MNLZAOJCVXCSRV-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)NCCC[C@H]1CC[C@@H]1CCCCC12CC2	2253891141	UYWNIJPCNUAEEC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)NCC1(CCCC[C@@H]2C[C@@H]2C)CC=CC1	2254592560	GOBOZQFQGHQYPR-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)c1ccoc1C	2255061230	BWIPUIDWSGZKQQ-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)CC2=CCCCC2)c1	2255142296	XNQPQGUTQSMHRG-QGZVFWFLSA-N	243.394	4.502	0	10	BJAE	
CC[C@@]1(CC[C@H]2CCCC23CC3)CCCCCN1	2255224617	FTLWXWCIVUHRML-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC[C@H]1CCCC12CC2	2255229165	WBLJHZZADDSGOJ-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2CCCC23CC3)C(=O)C1	2255269304	MBPTVDCPJMGUER-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1cc(C2CC2)ccc1F	2259106687	BHSVLSLEZBCFOW-GXTWGEPZSA-N	247.357	4.551	0	10	BJAE	
CC(C)CCC[C@H](C)CCNc1cccc(N)c1	2259675290	JTVBJLDNVBCPRU-AWEZNQCLSA-N	248.414	4.533	0	10	BJAE	
CC1=CC[C@H](CN[C@H](C)CCCC(C)C)CC1	2298841767	LJFZJMSQYYYQOT-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@H](C)CC2CCC2)CC1	2298895236	FHGQSYBTKAKCSA-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)CC[C@H](NC)C1CC(C)(CC)C1	2300685200	CAACKMFWOLHZHZ-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CCN[C@@H]1CCC[C@H](C(C)(C)C)C1	2300860723	JYNFCXFFGZQLIV-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCNCC=C(C)CCCC(C)C	2300865464	NWRZYZFYYRVEDZ-UHFFFAOYSA-N	237.431	4.705	0	10	BJAE	
CCCNCCC(C)(C)CC1CCCCCC1	2301235873	HGUYBUHAABCZIT-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC1(C)CC(=O)[C@H](CCCC2=CCCCC2)C1	2302330568	CUNBNHTWEODPNT-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC[C@@]1(C[C@H]2CCC(C)(C)C2)CCCCCN1	2302683019	OSYFKZQENLQTQS-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)CC[C@H](O)CC1CCCCC1	2307824733	VPLZKOSTDFHCFK-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CCC)C1CCCC1	2307830858	GGOANQZVXBCHRB-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1C[C@@H]2CCCC[C@H]21	2307927006	UEZCTXIUEIAIOB-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)[C@@]12CCC[C@@H]1C2	2308102470	ZLEKSSUPJLULAO-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1N[C@@H]1CCCC[C@H]1C1CCCCC1	2308184445	GTNJANSAWWCGLC-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CCC(N[C@H]2C[C@@H]3CCCC[C@@H]32)CC1	2309488458	YBIKJDMLYOYKDR-LQWAEYHHSA-N	249.442	4.514	0	10	BJAE	
CC=CCCC[C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NCC	2310191666	ILBICBJZIKFBRN-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CCCCCC1	2312960732	XJFXWPYRAQBVAF-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)CC1	2313323478	CNEFLIIRSRKGCN-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@H]1NC[C@@]12CCCC[C@@H]1CC2	2313341226	WVFQYXDTMLDQJG-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CCN(C1CC1)[C@H](C)c1ccco1	2316240444	MZUSVXZWSAIURR-CYBMUJFWSA-N	249.398	4.631	0	10	BJAE	
CC(=CCNC[C@@H]1CC=CCC1)CCCC(C)C	2316495601	GAHZNCUZVNDGPH-QGZVFWFLSA-N	249.442	4.705	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1CC2(CC(C)C2)C1	2316507916	GVBPHUJLQIUAER-PYCMUAIMSA-N	249.442	4.537	0	10	BJAE	
CC(=CC=C1C[C@@H](C)NC[C@H]1C)CCCC(C)C	2316537826	ULEUSFZTOAJGHP-HZPDHXFCSA-N	249.442	4.703	0	10	BJAE	
CC=CC[C@H](NCCC)C1CC2(CCCCC2)C1	2316540035	QDTMAHFNEMJTJR-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@@H]1CCC[C@@H]2C[C@H]12	2316542707	SLADLOWMHSPRLW-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C1(CC2CC2)CC1	2316869066	DLKRULGBELEHTQ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2317013692	RYVNDOFFOXPYFI-LAYQYYCJSA-N	249.442	4.514	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@H]2C=C[C@H]1CCC2)C(C)(C)C	2317119480	SZXBYISCVUMDOD-ANQUJSFKSA-N	249.442	4.523	0	10	BJAE	
CC(C)C1(C[C@@H](N)CCC2=CCCCC2)CCC1	2317973670	FCXVQPWDKJRMRZ-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CCC[C@@H]2CC[C@@H]21	2318538383	CNKWCDCKAKBNKD-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
N[C@H](CCCCC1CC1)CCCC1=CCCCC1	2318872268	MKUMHNPQGYWRLD-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC1(C)CC[C@@H](CCCC(=O)c2ccccc2)C1	2319136456	UOPOAIPPXQZMGX-CQSZACIVSA-N	244.378	4.866	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@H](C[C@H]2CCC(C)=C(C)C2)C1	2320333384	GHHUKLNFMJUKNF-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CN2CCC[C@@H]2C(C)(C)C)CC1	2320388955	VZPPNQNSGGMHFP-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1C	2320396790	JVSHGAKTBKSHFX-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
Cc1cc([C@@H](N)CC[C@H]2CCC(C)(C)C2)c(C)o1	2321640182	SELZVLGJZIGPHH-ZFWWWQNUSA-N	249.398	4.503	0	10	BJAE	
CC1(C)CC[C@@H](CCC2(N)CCC3(CC2)CC3)C1	2321641887	JDSJQRPHNFRMFC-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)CC2CCCC2)c1	2327680356	FAKDKCLGIAENQC-UHFFFAOYSA-N	244.378	4.881	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@@H](C)CC(C)C)c1	2327708708	RKYPWIBTGWNHOA-WMLDXEAASA-N	248.410	4.834	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)c1ccc(CC)cc1	2328276446	WBMVWSOMWWWINB-RDJZCZTQSA-N	247.426	4.726	0	10	BJAE	
CCC(CC)[C@@H](N)c1ccc([C@@H](C)CC)cc1	21011553	JDZSFEIULDIBIX-BLLLJJGKSA-N	233.399	4.636	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cccc(C)c1	21012694	YVNPFVYXCAQJDV-OCCSQVGLSA-N	219.372	4.622	0	10	BJAE	
CCCC(CCC)Nc1cccc(CC)c1	22151917	KOSUIVKKOAFWMB-UHFFFAOYSA-N	219.372	4.630	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C)c1cc(C)sc1C	37315020	JXZLVJNQXXFBPX-ZYHUDNBSSA-N	239.428	4.594	0	10	BJAE	
Cc1ccccc1N[C@H]1CCCc2sccc21	61324833	YGHNRIJPHSGVPO-AWEZNQCLSA-N	243.375	4.546	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cccc(C)c2C)C1	71106015	OHXXNEKMEMICNW-LSDHHAIUSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)CNC(C)(C)C	71126680	QSKKTQSRKMMYDN-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@@H](C)c1ccccc1	75842439	RVJXUBXQGJPVJW-AWEZNQCLSA-N	224.347	4.962	0	10	BJAE	
Cc1ccc(C(C)C)cc1[C@H](CCN)CC(C)C	76633255	AEHWWCXTAFWUHM-MRXNPFEDSA-N	247.426	4.597	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)c(C)c1	84981190	YLPIEAPVABRACJ-UMVBOHGHSA-N	231.383	4.540	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CCCC(C)(C)CC1	86894478	QXBUSRQWHWHTPR-LSDHHAIUSA-N	239.447	4.760	0	10	BJAE	
Clc1cccc(-c2ccc3ccccc3c2)n1	88674570	NZCOIQXGEQIGLG-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)C2CCCC2)cc1	90482227	GAFQUFLRAXHCQN-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCC(CC)[C@@]1(N)CCC[C@H](C(C)(C)C)CC1	94676221	JTTVTWYURWIYCZ-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](N[C@@H](C)c1ccoc1)c1cccs1	94869168	BUMCGLWFWOPTGC-AAEUAGOBSA-N	249.379	4.533	0	10	BJAE	
CCCCC[C@@H](C)NCC[C@@H](C)c1ccccc1	104040784	IJJWFOICVAJMRM-HZPDHXFCSA-N	247.426	4.739	0	10	BJAE	
CCCc1ccc([C@@H](CC)CCC(C)=O)cc1	107477062	NANYKEFHGWMLCP-HNNXBMFYSA-N	232.367	4.502	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)c1ccc(CC)cc1	109722792	KTMDGKFCLUPICE-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](CC)N[C@@H](CC)c1ccc(C)cc1	109944736	HRAUJDJSXWUQRQ-HOTGVXAUSA-N	233.399	4.614	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NC[C@@H](C)C2CC2)cc1	124948557	LFKCJKPQBCGFNC-ZIAGYGMSSA-N	245.410	4.507	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](O)CCC2CCCCC2)C1	125890353	AUDUROZHUVGYJE-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C(=O)CC(CC)CC)CC1	148032504	HOKKLJCVJGSXNQ-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)c1ccc(C)c(C)c1	166779422	IBIYPSGRMSRCSY-BHYGNILZSA-N	245.410	4.520	0	10	BJAE	
CCCCC[C@@H](O)c1ccccc1C1CCC1	168762438	YIBJWWWTKOADLD-MRXNPFEDSA-N	232.367	4.568	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)c1ccc(C)cc1	203426640	LYWSZHQDWPCPFO-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
Clc1cccc2ccn(CC3CCCCC3)c12	204841578	MCRVKDCDKPXVFC-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1NC1CCCCCCC1	221625187	CQKVTLREYBLNSN-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1C[C@@H](C)CC[C@@H]1C	221948114	MQXQJYVVECQMGR-CAOSSQGBSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](N[C@H]1CC[C@@H](CC)C1)c1ccccc1	227193532	UHXNCRAFHHPPBN-PVAVHDDUSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)CC1CCCCC1	228108478	ZOJOHFYMUVRNFQ-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@H](CNc2ccc3ccccc3c2)C1	230431841	PZIKUXCZDKOEKG-KBPBESRZSA-N	239.362	4.688	0	10	BJAE	
CCC(C)(CC)Nc1nc2ccc(C)cc2s1	230965548	WGSNRBURCBPYEM-UHFFFAOYSA-N	248.395	4.595	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C(C)C)C2)cc1F	230986259	SPFWYPFCLYNPJG-ZIAGYGMSSA-N	249.373	4.761	0	10	BJAE	
CCCCC[C@H]1C[C@H](C)Nc2ccccc21	232983359	XKFKKRWCNUGKKG-STQMWFEESA-N	217.356	4.555	0	10	BJAE	
CCCCCC[C@]1(O)C[C@@H](C)CC[C@H]1C(C)C	250835904	UVDIFFZYVVMZIG-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	253289877	PHHSDSDZSIGXJF-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCC[C@H](C)C1	300368596	RXANVQZZZMNKJN-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@H](CC)CCCCCC(C)(C)C	300901569	QZMFRSQUKRGMCC-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)c1ccccc1C(C)C	308055555	BCODZXIKWKQNHP-WMLDXEAASA-N	247.426	4.882	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@H](CC)CC(C)C	308100749	RHFNSTSFJRJAHF-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCOc1cccc2c1ccn2C1CCCC1	310579843	OWLRNPJSOWLWQX-UHFFFAOYSA-N	243.350	4.545	0	10	BJAE	
CC(C)(C)CCCN[C@@H](c1ccccc1)C1CC1	313286062	UJHFMZBFQXDGQP-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(CNC2CC2)CC=CCC1	318983586	ZHSWLSYGLSYITA-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](O)C(C)(C)C(C)(C)C)C1	379841521	GUIVOXYKJPEXRJ-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
Cc1cc([C@@H](C)Nc2c(C)cccc2F)cs1	381409976	XNSAOYILWTVQFZ-LLVKDONJSA-N	249.354	4.677	0	10	BJAE	
Cc1ccsc1[C@@H](N)CCCCCC(C)C	383279889	OWLQTJWEADPQKI-ZDUSSCGKSA-N	239.428	4.663	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H](C)C2CCCCC2)C1	383687427	SELJDORXOMQDDJ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)CNCCC(C)(C)CC1(C)CCCC1	383863092	CZNWQICYIBNNEI-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1C[C@H]([C@H]2CCC[C@@H](C)C2)Nc2ccccc21	385139615	MAOFJRXWEXVOFR-XJIUQZFPSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCC23CCCC3)CC1	385689255	DMFPJTGDGAPSIS-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC/C(=C\c1ccc(Cl)cc1F)CCl	389160602	XNISXZQOBCPGKD-VMPITWQZSA-N	233.113	4.511	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1(CCC)CC1	390482797	MCTVTNDMUCWXHC-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
Nc1ccc2c(c1)CC[C@H]2CCC1CCCCC1	393980680	AFOKKJMSSPSHAF-CQSZACIVSA-N	243.394	4.659	0	10	BJAE	
CC/C(=C/C1(C)CCCCC1)CNCC(C)C	394772511	GYYWRLCCTNZKTK-PTNGSMBKSA-N	237.431	4.539	0	10	BJAE	
Cc1cccc2sc(S)c(C(F)(F)F)c12	396312296	WVHJMSDYODTYLM-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CSc1ccc2scc(C)c2c1C(F)F	396404376	JRICVWBVOFNMTQ-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CSc1ccc2sc(C)c(C(F)F)c2c1	396406661	NAMLQAMRKKCKLC-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCSc1cccc(N[C@H](C)CC2CCC2)c1	689703007	RLDKTRXRXFSAFL-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CCC[C@H](C)Nc1cccc(SC(F)F)c1	690179806	LKLBDIWVNIUKMF-VIFPVBQESA-N	245.338	4.602	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(O)CCCCC[C@@H]1C(C)C	691129164	SLAYYFCWXGPXQF-XHSDSOJGSA-N	240.431	4.636	0	10	BJAE	
CC(C)NC[C@H]1CCCCC[C@@H]1CC1CC=CC1	692059125	LQHDUZISSMPTFV-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC(C)C)[C@@H](C)CC1CCCCC1	695099587	KXJJRCIWDLYHJT-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)c1csc(C)c1	695150944	YGIWEYCHQNDQEM-NWDGAFQWSA-N	239.428	4.532	0	10	BJAE	
CN[C@@H](CC1CCCCC1)[C@H]1CCCC2(CC2)C1	695980997	CLGWDTUEDQWRAA-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H](C)[C@H](C)CC	696184966	FBPRICLTDGWDFA-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1scc(C)c1Cl	701111793	LPYJIVBJDKDJIV-NSHDSACASA-N	246.803	4.570	0	10	BJAE	
CCCN[C@@H](c1ccsc1)C(C)(CC)CC	701171820	RFZMZJUDUHJWLA-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@@]1(C)CC1(C)C	702187891	SRDORTGWXLFLFI-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCCC12CCCC2	704459899	MLCOMSUOSFXPFJ-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@]1(N)CCCC(C)(C)CC1	704832084	ILAMSVULRLGCRE-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H](C)CC(C)(C)C	708318411	GRKBKOLDFXEGLX-ILXRZTDVSA-N	241.463	4.993	0	10	BJAE	
C[C@H](CC1=C[C@H](O)CC(C)(C)C1)CC(C)(C)C	709096491	IZNQLMORIFOXRA-OCCSQVGLSA-N	238.415	4.556	0	10	BJAE	
CCNCC(CC)(CC)C[C@@H](C)CC(C)(C)C	709126231	PDKSGBOHEILUCZ-AWEZNQCLSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)C[C@H](C[C@@H](CC)C(C)(C)C)NC	711098475	VGBOOYSQCKVUHX-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCc1cc(NCCCC2CCC2)ccc1C	711178233	ISQXMPPNEDMRME-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CCC(C)(C)CC[C@H]1Nc2ccccc2C[C@@H]1C	711278959	ZKHLTEMZTNZLDI-DZGCQCFKSA-N	245.410	4.876	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CC[C@H]3CCCC[C@@H]3N2)C1	712301584	ZBLQFGOFVQRCAK-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CC[C@@H]2CCCC[C@H]21	714279762	CPPMMHHEUPPBRM-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCC[C@H]1CNC(C)C	718495590	PFXGMLNIIJUNCB-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)(C)C)C1(C)CCC1	720720645	ZJOCRRIAMGRGTQ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCCC2(CC2)C1	723602559	IYZKLIRQGDDRNU-CYBMUJFWSA-N	249.785	4.783	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1cccc(C(C)(C)C)c1	821963413	NITXDQCZYCFIKL-XJKSGUPXSA-N	247.426	4.681	0	10	BJAE	
CCCCCN(C)C1CC(C)(C)CC(C)(C)C1	1460376087	ZAEKDIYJRQBSEC-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCC1CCC(CNC[C@H]2CC=CCC2)CC1	1560297884	RPGJINIPLVRSMI-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(SC[C@@H]2CCCC[C@@H]2C)s1	1613865532	DMFHYMHFSXDAAU-JQWIXIFHSA-N	240.437	4.975	0	10	BJAE	
CC[C@H](C)CSCc1ccc(F)c(Cl)c1	1651869966	COMWXHOWSLNINN-VIFPVBQESA-N	246.778	4.758	0	10	BJAE	
CCC(CC)SCCc1ccccc1Cl	1652643777	GOOPQMFECWBEKT-UHFFFAOYSA-N	242.815	4.804	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CCC(CC)CC	1900693464	NYSFKINTODSDPN-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
CCC(C)=CCc1ccc(C(C)(F)F)cc1	1900899350	ZJYVGYYAFWERFO-UHFFFAOYSA-N	224.294	4.697	0	10	BJAE	
CCCCCCc1ccc(Cl)c(OC)c1F	1901882513	HQKMXSAXAXVECH-UHFFFAOYSA-N	244.737	4.611	0	10	BJAE	
CCC=C[C@@H](C)Cc1ccc(Cl)c(C)c1	1912095896	NULHQPNVMPGQAM-LLVKDONJSA-N	222.759	4.793	0	10	BJAE	
C[C@@H](C[C@@H]1C(=O)C[C@H]2CC[C@H]1C2)C1CCCCC1	1916094796	LTOZMBGFDQSBTF-SDADXPQNSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N[C@H]2CCC3(CCCC3)C2)cs1	1916402177	MNXAXEXHMFREHA-LBPRGKRZSA-N	235.396	4.581	0	10	BJAE	
CCCCCC[C@](C)(O)CC1CCC=CCC1	1919982239	WTNCVJDNALWELB-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CCCC1CC([C@H](NCC)C(C)(CC)CC)C1	1921259493	NNKLJERSFHAHPI-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCC1CC([C@@H](N)C[C@@H](C)CC(C)(C)C)C1	1921272752	PFBONRQHKRUNLL-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C1CC(CC)C1	1921279669	GZXXHLVQNQEFFB-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1C=CCCCC1	1925762407	BNEVQWVZIMFWHP-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
C[C@H](CNC[C@@H]1C=CCCCC1)C1CCCCC1	1925818958	FVAPOFKDOVDVGX-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)[C@]1(C)CC1(C)C	1925890894	HSTUTXIBNPHTQJ-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCNC(C)(C)C1CCCCC1	1926113466	AZPCRJMDYNPPSV-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(=C2CCC(C)(C)C[C@H]2CN)CC1	1927148125	VUGJJAWOXUENQY-WUJWULDRSA-N	249.442	4.668	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](N)CCCC	1933335686	IVQPIWZOBXLGRA-UONOGXRCSA-N	213.409	4.501	0	10	BJAE	
CCCc1ccccc1C(=O)CC(CC)CC	1940936609	XGJCOMPVQQZHLE-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCN[C@H]([C@@H](C)C(C)C)[C@@H](CC(C)C)C(C)C	1941265939	YFFQEUVBRNMISC-HRCADAONSA-N	241.463	4.575	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CCC[C@H]1CC1(C)C	1941271055	BKBHARWHCSTYMV-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CC[C@H]2C[C@H]2CC1	1941875955	OEOGBGJJYGLMEK-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CN[C@H](CCCC(C)C)C(C)(C)C1CCCC1	1944639270	CUCGSUPFKFNNTD-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)C[C@@H]1CCC[C@H]1C	1944890090	GDKSLLFJWWEORQ-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@H]1CCC1(C)C	1945748439	KVYYCUDDRVKOOJ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](C)[C@@H](C)CC(C)C)c1	1948327152	OMKBZYYROUCVMZ-STQMWFEESA-N	237.362	4.617	0	10	BJAE	
CCCC[C@@H](CC)CNC1CC2(CCCC2)C1	1948474304	ZFQAMQNFISSJSI-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC[C@@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948588496	XZOUXVUOWDVIAG-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C1=CCCCCC1	1948977886	SXXDTRPSISDJSW-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CCCCCC[C@H]1c2ccccc2NC[C@@H]1C	1949108950	GXYJFDQZKAFDOS-UONOGXRCSA-N	231.383	4.802	0	10	BJAE	
Cc1cscc1C(=O)[C@H]1CCC2(CCCC2)C1	1949499916	YRGGWVIUSRLXEV-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CC(C)CCCCCCNCC1(C)CC(C)C1	1950510897	MKVOXGGWKMNLNE-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc([C@H]2CCCN2CCCC(C)(C)C)o1	1964148693	OUOZDAPDVBTLHE-CQSZACIVSA-N	249.398	4.551	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1NC[C@H]1C=CCCC1	1966151383	LPQFSBOVYMWQCM-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CC[C@@H](F)C1	1968602445	KXWWBOHHTDEEDP-UKRRQHHQSA-N	249.373	4.669	0	10	BJAE	
CCCC(C)(C)CNC[C@H]1CCC[C@H](CC)C1	1973163733	IXEDXGRHCUWSIF-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CN[C@@]1(C)CCCCC1(C)C)C(C)(C)C	1973519781	ROMMZIKHRRAZJM-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1973573792	QLAOEKQSORDZGZ-SIRPWMCASA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CC[C@H]1CCCCCCC[C@H]1N	1980351373	NODMUVNOXMNWIP-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CC=CCCCNc1ccc(C(C)C)cc1	1984614293	KFCSWHFJGQPVBQ-UHFFFAOYSA-N	217.356	4.578	0	10	BJAE	
CCCCC[C@@](O)(CC)CCC(F)(F)CC	1990092045	URAWONMMTJGSSN-LBPRGKRZSA-N	236.346	4.533	0	10	BJAE	
CCC[C@@H](CC)N(C)C[C@H](C)CC(C)(C)C	1990128134	VUHFMFBSJLKWES-ZIAGYGMSSA-N	227.436	4.569	0	10	BJAE	
CCCCCc1ccc([C@H](N)[C@H](C)CC)s1	1991771771	LWCNBXNGLUIHSJ-BXUZGUMPSA-N	239.428	4.527	0	10	BJAE	
CC(=O)CC(C)(C)C[C@H]1CCCC(C)(C)C1	1994027193	YBXUBRFEKRKQRL-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NC)C(C)=C(C)C	1995264739	WNJTXCVFEMIGLI-UKRRQHHQSA-N	225.420	4.537	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H](C)c1ccccc1	1996613807	WPMFMGLKNMVEFQ-CYBMUJFWSA-N	232.367	4.576	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCCC2(CCC2)C1	1997042822	MGXLGDRJJPPILC-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@H](C)[C@H](C)CC)CC1	1997116318	JVEFRASPQRPWCT-DGADGQDISA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(O[C@H]2CCCC(C)(C)C2)c1C	2000107156	SFGKXWFTNXLADU-AWEZNQCLSA-N	232.367	4.651	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CC2(C)CCCC2)C1	2000182729	SPHCZWVQZRCSPJ-TZMCWYRMSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@@H]1CCC[C@@H](C)C1	2000324447	SVOCNAIHNAGKJS-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNC)CC1(C)CCCCC1	2000512832	JNTHOPJLFRMZQQ-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC1CCC([C@@H](C)NCCCC(C)C)CC1	2002922495	AARWPBSJZKARNH-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](C)(N)C1CCC(C(C)C)CC1	2002927148	XQGQUYOGMTWZLZ-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC([C@H](C)NCCC(C)(C)C)CC1	2002928167	WWYSNLQZGWKFMO-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@H]2CCCCCCC2=O)C[C@H]1C	2003116508	JEZHMAVHSZGRHU-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC[C@@H]1CCCC2(CC2)C1)NCC	2003219118	WPOFNULKWLSTFW-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC1(N)CCC(CC)(CC)CC1	2004341709	MDDULCMXGGTUAB-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@H]2CC2(C)C)CC1	2004346169	JQUDZIWISMWZPK-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](O)C1(C)CCC2(CC2)CC1	2007690493	KTNIXRAWVSKOEP-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccc(N[C@H](C)CCC(F)F)cc1	2008582931	SKFWRMYKVJIXKJ-LLVKDONJSA-N	241.325	4.656	0	10	BJAE	
CCC[C@]1(CC2(C)CCCCCC2)CCCN1	2009058616	HEWCQGYWHZDKHS-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C1(CC)CCCC1	2009545168	XDWDLSXXMKESQD-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](CCC)CC[C@H]1NC	2009627133	HPQSOZGBDCGOTL-PSVUTLLTSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H](CC)CC(C)C)CC1	2010749027	PUUOUBRCVTVELW-IJEWVQPXSA-N	237.431	4.523	0	10	BJAE	
C/C=C/CCCNC1CCC(C(C)(C)C)CC1	2011439251	YJXFCKBUNAROOF-AATRIKPKSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@](C)(N)CC12CCC(CC1)C2	2012833911	JKXQDXCJECBVFD-PCKAHOCUSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC12CCC(CC1)C2	2012835504	DAHTWEARFGFVAC-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](CCC(C(C)C)C(C)C)NC	2015358157	OSLZSPPBQWIJDZ-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CCC(C)C)C1(CC(C)C)CC1	2015755704	VGKOCWPONMGIQR-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@H]1C)C(C)(CC)CC	2016456011	KHGSPGUHEVHSPJ-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CC[C@](C)(CNC(C)C)C[C@H]1CC[C@H](C)CC1	2017723175	JHALHZMMQSVVAD-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CCC[C@@H](C)C1	2018130566	JVTLHMDXFVQLQU-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CCCC1(C[C@@](O)(CCC)[C@@H]2CC2(C)C)CC1	2018965185	OVAFEHXCCLZYPI-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@@]2(O)CCC[C@@H](C(C)C)CC2)CC1	2018967287	KALZJYRHBIIPKZ-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1CCC2(CC2)C1	2021788213	OYPWWWODZRWQKK-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1NC1CCCCCCCC1	2022437797	WWHVLARYPWTSNE-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2022992839	LMCJMWYBJLWKTC-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)C[C@H]1CCCC(C)(C)C1	2024101851	NSFGJUDPSMVGLD-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCC[C@H]1C[C@@H]1C	2026170491	QADKLPBXIALFRR-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](c2nc(CC3(C)CC3)cs2)C1	2026544981	RRLVAMHIYKSNHM-RYUDHWBXSA-N	249.423	4.779	0	10	BJAE	
CC[C@](N)(CC1(C)CCCCC1)c1ccccc1	2027306161	IGRCJPAJOAEITK-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@@H](C)C1CCC1	2027519029	YLPUQFZKPOFIOC-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)c1ccc(C2CC2)cc1	2028593315	LSFHRHQDSWUOQO-IRXDYDNUSA-N	245.410	4.636	0	10	BJAE	
C[C@@](N)(CCCCCC1CC1)[C@H]1C[C@H]2CC[C@H]1C2	2028642482	AVRHPDBGAOULEE-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@H](N)CC2CCC=CCC2)C1	2030243423	WURBDQDHQOMISU-ABFRBSLYSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H]1CC(C)(C)CC2(CC2)C1	2030279713	NGMQYAYVTIFETJ-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)CC3(CC3)C2)cc1	2030279851	QEYUOGWIXNXZQM-HNNXBMFYSA-N	243.394	4.766	0	10	BJAE	
C=CC=CCC[C@@]1(CNC(C)C)CCCC1(C)C	2032102876	FJULJDDWUPAKCD-KRWDZBQOSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@H](c1ccccc1C)C(C)(C)C(C)C	2032343529	HIHFOTKKJHPFNL-MRXNPFEDSA-N	247.426	4.718	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@H](NCCCCC1CC1)C2	2036662463	WUPFUTCBUYCVDM-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC1CCC2(CC1)CC(N)([C@H]1CCC[C@@H](C)C1)C2	2038942050	YXPXBJWSLHLAEB-QZAQUIPZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2039376001	QGFGDCQVRWVOHL-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
C[C@H](NCC1CC2(CCC2)C1)C1(C)CCCCC1	2039869042	WIORRUUSQOZQQQ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H](C)C1CCC(C)(C)CC1)c1ccco1	2040639554	VRHNUVTYFTWARR-STQMWFEESA-N	249.398	4.535	0	10	BJAE	
CC(C)(CC[C@](C)(N)C1CC2(CCC2)C1)C1CC1	2043473323	CMCIXSFVNDINLY-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)(CNC1CC1)[C@H]1C=CCCCCC1	2045985842	BFJUCHAVIWVYSE-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@](C)(CNC)C[C@@H](C)c1ccccc1	2045987729	OMHOMHWXCIHETC-NVXWUHKLSA-N	247.426	4.596	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)C[C@@H]1CC12CCCCC2	2047011595	LFQWNXZVWAIEGG-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1CC12CCCC2	2047052396	MNSARIZONDGDMD-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1CC12CCCC2	2047063336	VNVYWNZMSOTXBR-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC1([C@@H](N)CC2CCC3(CC2)CC3)CCCCC1	2049851202	ALBYVWVBGJORGX-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(N)(C[C@H]2CCCC3(CC3)C2)CC1	2049862689	YJRZWMFVNZPUQX-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CN(C[C@]1(C)C=CCCC1)[C@@H]1CCCC(C)(C)C1	2049957182	ADFCJFRBAYOOJH-NVXWUHKLSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](C[C@@H](C)C1CCCCC1)[C@]1(C)C=CCC1	2050006676	ARYGIKYXOPIWMU-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)c2ccc(F)cc2)C1	2050495944	ZMQFZHBPEXRAHS-STQMWFEESA-N	248.341	4.615	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1CC2(CCC2)C1	2051402246	PPWMDYFAGBLSBQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@@H](C)C2(C)CCC2)c1	2052347853	GLCYQNIXFMGALM-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)[C@@H]2CCCCC23CCC3)C1	2053411519	KKRVCBSECLQQDE-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC(=O)c2ccccc2C2CC2)C1	2056670217	UXEHUQHARZXGML-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC=C(C)[C@H](NCCC)C1(C)CCC2(CC2)CC1	2056775326	GXPKHYGRCQZKDX-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C=C1CCCC1)c1ccccc1C(C)C	2056872281	BILNIABBFZCVKV-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H]1C[C@H]1C(C)(C)C	2056881147	CSAWNWISXOPDIN-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCC1(C2CC2)CCCC1	2057649317	PZACMUDOVFGHLR-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@]1(O)CC[C@H](C)c2ccccc21	2059223606	PLYHRESNOHZMAN-JNPAJOFYSA-N	244.378	4.518	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1CC2(CCCC2)C1	2059247123	MDBNFHDFZBWSDZ-WMHVBEDNSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)c1c(C)coc1C	2059261915	IFVDOTMHIKIBFY-KEDPEKRHSA-N	249.398	4.684	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C)CC1)[C@H]1CC[C@H](C)CC1	2060925461	LAOBZLBWWJASNH-SRABZTEZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H]2CCC[C@@H](C)CC2)CC1	2061079776	BXZTZUJVLHYLDL-PNBKFKSVSA-N	249.442	4.667	0	10	BJAE	
CCC1([C@@H](N)C2=CC[C@H](C(C)(C)C)CC2)CCC1	2061083326	BMCSNOITMGUCCT-GJZGRUSLSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)C2CCCCCC2)CC1	2061097410	BQNCHRHKNDAVDT-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1(C)CC1)C1=CC[C@H](C(C)(C)C)CC1	2061100544	XMMLRWVRMNYMKM-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@@]2(N)CCCCC23CCC3)CC1	2061123140	VHBVUMVGOAQTGW-YOEHRIQHSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@@H](CC2CC(=C3CCC3)C2)C(=O)C1	2061695775	HTOLJSOYYFNZQV-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
c1ccc2oc(CC3CC(=C4CCC4)C3)cc2c1	2061725771	IQKNUBRLIPEOHS-UHFFFAOYSA-N	238.330	4.866	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2063427530	OHHQFBZQWDAAIN-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C12CCCC1CCC2	2063811873	DMZVBPHDOZQDMV-AQFXKWCLSA-N	248.410	4.598	0	10	BJAE	
C1CCCCN(CC[C@@]23CCC[C@H]2C3)CCCC1	2065850379	LGIXYBCWTLRQTD-DLBZAZTESA-N	249.442	4.613	0	10	BJAE	
CC1(C)C[C@@H]1NC1CCC2(CCCCCC2)CC1	2065893260	WSRGSFYOCKSXPQ-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CCCC1(C[C@@H](NCC)c2ccoc2C)CCC1	2069344006	GABWRQCIUNMGQL-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)C1(CC2CC2)CC1	2069517186	JHOXJXQIGIPHJF-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCOc1ccc(N[C@@H](C)CCC=C(C)C)cc1	2070399183	PMLGJTHMPKTBQX-AWEZNQCLSA-N	247.382	4.632	0	10	BJAE	
CC(C)C1(C[C@@H](N)[C@@H]2CCCCC23CC3)CCC1	2071949903	MDZPHJUYUKOYBP-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC[C@H]1CC[C@H](C)CC1)c1ccccc1	2072806630	NQNHRXPWEZRBEB-ZOBUZTSGSA-N	245.410	4.554	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC1CC(=C2CC2)C1	2073413472	RVAFVIUBVSTUBL-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
C[C@H](C(=O)C[C@@]12CCCC[C@H]1C2)C1CCCCC1	2074093607	GMWJRBNRLWDWBM-QRTARXTBSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC(=C2CCNC3(CCCCC3)C2)C1	2074135932	WTZJGCREYMDTBT-CQSZACIVSA-N	247.426	4.579	0	10	BJAE	
CCCC1(C[C@]2(N)C[C@@H](C)CCC2=C(C)C)CC1	2074557992	KHVZIJLLDTXPDT-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)c1cocc1C	2074649652	VYCCPAIICBCNNU-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC(C)[C@H]1CCCCN([C@H](C)c2ccccc2)C1	2074793506	WSFWTVLJYOVKFP-WBVHZDCISA-N	245.410	4.506	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CC=C(C(C)(C)C)CC1	2074896550	QGMCXYJSUQHWQE-GOEBONIOSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]([C@@H]1CCCC(C)(C)C1)N(C)CC1=CCCC1	2075173036	PPXZATHDKOADEJ-GOEBONIOSA-N	249.442	4.633	0	10	BJAE	
C1=C[C@@H](N2CCCCC23CCCCC3)CCCC1	2075409946	WSPXKBDJAHBRDG-MRXNPFEDSA-N	247.426	4.674	0	10	BJAE	
CCCCN(Cc1ccoc1)C1CCCCCC1	2076552430	JSKHLFGKFHUZKJ-UHFFFAOYSA-N	249.398	4.605	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@H]2C2CCC2)C1	2079327243	FPIFKMDNIJAUAS-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C1=C[C@H]2CC[C@H]1C2	2081681066	OXURSUABFCRULC-DZKIICNBSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(=O)CC1C2(CC2)C12CC2)CC(C)(C)C	2083535120	BBAOBFXFCIIMLR-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C[C@]1(N)C[C@H]2CCC[C@H]1C2)C1CCCCC1	2086165343	OHCRPPZJMQIQQH-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C/C=C/c2ccccc2)C1	2210661544	AQRAQJNWWMQUEG-DGNXDGCUSA-N	214.352	4.916	0	10	BJAE	
CCCCC[C@]1(N)CCC[C@H](C(C)(C)C)C1	2212098979	AHTMAHIOQBADME-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCNCCCCCCCCCC1CC1	2212442047	GYNYLCMLSULDNZ-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CCCCC2CC2)CC1	2214558835	STRLFMUVEMSVJQ-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CCCCC1CC1	2214565668	OOIGEZLTYRPYIW-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
Clc1cccc2c1ccn2CCCCC1CC1	2214572642	FZKCBXFXWWXWPW-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CN[C@H](CCCCC1CC1)C(C)(C)C(C)(C)C	2214573344	LWDRCYYKBOZXPP-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)[C@@H](C)CCC(C)C)CC1	2215824922	YSANWRYCAFRHGO-GOEBONIOSA-N	236.399	4.764	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC(C)C)CC=C(C)CC1	2215825490	DRKUJBKKRAYDOA-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@]1(C)C[C@@H]1NCCCCCCCC1CC1	2216861780	WOCVPVPEXYGFIF-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@]1(CN[C@@H](C)CC)CCC[C@@H]1C	2217153913	PGVTVGRVQFMAPR-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCCN1CCCC12CCC(C)(C)CC2	2218014560	AYZCNTDVMSXZLT-SNAWJCMRSA-N	249.442	4.778	0	10	BJAE	
C[C@@H](N[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCCC1	2218329139	AOLOXANOGANTRR-PNBKFKSVSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1ccc(CC(C)C)cc1	2218645665	IXYUWNMARRAKQY-MRXNPFEDSA-N	247.426	4.711	0	10	BJAE	
CC[C@H](CCC(C)C)NCC1(C2CC2)CC=CC1	2219245173	DLDFCMSIDUGLIK-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)c1cc(C)c(C)o1	2220027109	FORYNTWQDQPJMU-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
Cc1cc(C)c([C@H](N)CCCCC2CC2)cc1C	2220029377	BBONSWOUVDWRIE-QGZVFWFLSA-N	245.410	4.582	0	10	BJAE	
CCC1(CNc2ccnc(C(C)C)c2)CCCC1	2220887045	ZIPFOSHCHRMISW-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC2(C)CC3(CCC3)C2)C1	2220980483	ZWYKXDIXXCNUSG-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](N)CCC2=CCCCC2)CC2(CCC2)C1	2221002892	RZAVIQZIRWWQSY-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
Cc1cc(C)cc(OCC2(C)CC3(CCC3)C2)c1	2221075887	LIUNHXNTHKHHPB-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@H](C)c1ccc(C)cc1	2223970157	VSKBVYWVSKQABP-GDBMZVCRSA-N	247.426	4.513	0	10	BJAE	
Cc1ccc(Cl)cc1NCC1=CCCCC1	2243243982	UJBVNJBAPZSUII-UHFFFAOYSA-N	235.758	4.561	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)c2csc(C)c2C)CC1	2246415617	HBZYJYMANSEDGR-OAHLLOKOSA-N	248.391	4.684	0	10	BJAE	
CC(C)CCC[C@H](O)CC[C@@H]1CCC[C@@H](C)C1	2246697487	XLSRXOZNTPNLLS-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CCCC(N)(CCC)CC[C@@H]1CCC[C@@H](C)C1	2246729109	AWBZXSSYBNMHCV-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CCCC[C@H]2C[C@H]2C)CC1	2247123181	WPWNFHPPTJCOHO-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](O)(C[C@@H]1CCC1(C)C)C1CCCC1	2247417563	LYEWRHHGFVZNGY-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
Clc1ccc2c(ccn2CC2=CCCCC2)c1	2247516952	WYPXSJKXGLVQBC-UHFFFAOYSA-N	245.753	4.795	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@@H]1C)CCC(C)C	2248805850	CSDAZYIELOWJIG-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)[C@@H]1CCCC[C@@H]1CC	2250364106	CYKIKHSMVOWOLY-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1C[C@H](C)CCN1	2250477258	VSCBFOPQOBCMPQ-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC=C[C@@H]1O	2250479066	PMUAOIOEXQMCBX-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CCCC1(CC[C@@H](C)CCCC(C)C)CNC1	2250484797	HYHDFKGINKMUKK-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)[C@@H]1CCNc2ccc(F)cc21	2251638872	WXGFXIIPEAHGBI-CYBMUJFWSA-N	235.346	4.551	0	10	BJAE	
CC1CC(CC[C@H](O)CC2(C)CCCCC2)C1	2251759967	WECNMNOFOJZSGA-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)CC[C@@H]1CCCCC12CC2	2253816180	UDGBQJGNIVQPKJ-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@H](N)CC[C@@H]1CCCCC12CC2	2253864271	NHVPDVJPNFZRCW-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@@H]2CC23CCCC3)C1	2253937603	WQQNWWNFVJNVPY-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@@H](C)C1)[C@H]1CC=CCC1	2254018646	DZBBSKSUTAIGFO-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2CC3(CCCC3)C2)CC1	2254121476	CPZABNPCEKNAOF-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](NC1CC2(CC(C)C2)C1)C1CCCC1	2254154471	OWBWAIMBCPVQAO-XOJNLIDHSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C)c1C(=O)CCCC[C@@H]1C[C@H]1C	2254604999	KZJBTUWCNHUQBT-HUUCEWRRSA-N	244.378	4.703	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@@H]1CCC1(C)C	2254831837	WPXTWUHWEQSPPN-XJKSGUPXSA-N	245.410	4.636	0	10	BJAE	
CCCCN(CC1=CCCCC1)C1CCCCC1	2255139718	DRCIARAPUOYLLT-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
CCCC1(C[C@@H](C[C@H]2CCCC23CC3)NC)CC1	2255239166	CIOVWTPYOOUDLG-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1cc([C@H](N)CCCCC[C@H]2C[C@@H]2C)c(C)o1	2257240916	MEEPTHQICVQIPR-HZUKXOBISA-N	249.398	4.503	0	10	BJAE	
CCC[C@@H](Nc1cc(C)c(C)c(C)c1)C1CCC1	2258237135	KZLSJARNJFTFAV-QGZVFWFLSA-N	245.410	4.993	0	10	BJAE	
CC(C)(C)CC1CC(C[C@H](N)C2(C)CC=CC2)C1	2261132300	LFMLPOZLHWZMDM-NRXISQOPSA-N	249.442	4.523	0	10	BJAE	
CCC[C@@H](C)C(=O)Cc1cccc(C(C)(C)C)c1	2261361493	FQGPADWBEKBKFO-CYBMUJFWSA-N	246.394	4.532	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@H](C)CC(C)(C)C	2300504513	AYBJNNIBLKSADZ-ZBFHGGJFSA-N	241.463	4.993	0	10	BJAE	
CCC(CC)CC[C@H](N)C1C[C@@H](C)C[C@H](C)C1	2300683930	OTYRLFJNKBQROF-XEZPLFJOSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc2ccc(CCCC(C)C)nc12	2302225195	RABMYSPDIQQCPQ-UHFFFAOYSA-N	227.351	4.522	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCCC[C@H]1C[C@@H]1C	2302644113	OCRZGLJGSLFZBQ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(C[C@H]1CCC(C)(C)C1)C1CCCC1	2302896671	SUPIGUSPZWUMHN-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC1(CCCC(=O)[C@H]2CC[C@@H]2C(C)(C)C)CC1	2303396934	CZANJERUXIUJNR-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303453704	IDURXOWTGXFPSU-JSGCOSHPSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(CC)C(=O)CC[C@@H]1CCC(C)(C)C1	2304436636	MSYODFGZPCZUQC-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@](C)(N)C2(C)CCC2)C1	2304448161	VPWXLRGNUGEPPB-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC=CCCCc1ccccc1OC(C)(C)C	2307636158	HTAZWGPOIIKROS-UHFFFAOYSA-N	232.367	4.763	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCCCC1(F)F	2307761532	SZKDDFSTWZIWJO-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](C(C)C)CC[C@H]1N	2307900161	UHFANABIHGTWEF-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C[C@@H]2C[C@H]2C2CCC2)CC1	2311515198	CSZXNNZMOZHBOZ-QSPRXWTASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C(CC2CC2)CC2CC2)C1	2313626347	GZHJSYJEBOACRU-DOMZBBRYSA-N	248.410	4.598	0	10	BJAE	
CCc1cc([C@@H](N)CC2(C)CCCC2)ccc1C	2314710399	FUTDECOIAJCRON-INIZCTEOSA-N	245.410	4.528	0	10	BJAE	
CC(=CC[C@H](N)[C@H]1CC=CCC1)CCCC(C)C	2316500926	AXQKVJMCCFFYRQ-IRXDYDNUSA-N	249.442	4.833	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316749093	HKIBFGMRSKRBSB-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)[C@@H]1C[C@H]1CC	2318576228	NAZWXLJOONVFAP-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1CC[C@@H]1C1CC1	2319491666	DTNNQPUERPQSNW-DOTOQJQBSA-N	246.394	4.662	0	10	BJAE	
CC1=C(C)C[C@H](NCCCCC[C@@H]2C[C@@H]2C)CC1	2320368526	IFFURAGLXGFRKP-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@](N)(C[C@@H]2CC23CCCCC3)CC1	2320388259	OFSIZZFFFXBIHD-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](O)c1cccc(C(C)C)c1	2320515074	JPDOVVHPZCMTKD-KMFMINBZSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H](C)C(=O)Cc1cccc(C2CCC2)c1	2320667601	QNRQLXVKAKNKNS-ZDUSSCGKSA-N	244.378	4.502	0	10	BJAE	
Cc1cc(C=Cc2ccccc2)nc2ccccc12	4158373	MPMZSHBASKBPKF-UHFFFAOYSA-N	245.325	4.714	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2cc(C)ccc2C)cc1	21052935	KTQWDESJOWZBRM-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCCCCN[C@@H](C)c1cccc2ccccc12	21504820	RPRQOGHHHLRUBK-AWEZNQCLSA-N	241.378	4.681	0	10	BJAE	
CCN[C@H](c1csc2ccccc12)[C@H](C)CC	35555168	HHODOYLJXKPVNW-ABAIWWIYSA-N	247.407	4.598	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccc(F)c(C)c2)cc1	61117583	FDCVBKWWJZVMOP-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@H]1CCCc2ccccc21	63157235	HCIPBENRFOKCEF-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
Cc1cc([C@H](C)NC2CCC(C)(C)CC2)c(C)o1	79653532	WPNVIDVJZIZQSF-LBPRGKRZSA-N	249.398	4.516	0	10	BJAE	
CC[C@@H](N[C@H](c1ccccc1)C(C)(C)C)C1CC1	86117380	OWASSROBDNGDHI-HZPDHXFCSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC(C)(C)CC2)c(F)c1	86896510	IEQXYHWABFQQFD-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cc(C)cc(F)c2)CC1	91510986	ACBJHLZDSJDQLG-HIFRSBDPSA-N	249.373	4.905	0	10	BJAE	
CC[C@H]1CCC[C@@H](Sc2cc(C)ccc2N)C1	91933929	GVCPFPWODWBHLG-QWHCGFSZSA-N	249.423	4.638	0	10	BJAE	
CCCC[C@H](N)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	94547166	HZFSLDNDRXKOBY-LHJGCZIBSA-N	249.442	4.501	0	10	BJAE	
CC(C)COc1ccccc1NCCC(C)(C)C	103972832	LKSVHIQMWCPGNO-UHFFFAOYSA-N	249.398	4.570	0	10	BJAE	
CC/C=C\C[C@H](CC)c1c(C)cccc1O	107493093	SKZHOIHQLIJPSG-FWWRYZNZSA-N	218.340	4.551	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)C1CCCCC1	109939089	SCKVJWOBGUQJNQ-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CC(C)Cc1cccc(C(=O)CC2CCCC2)c1	127626555	CIUUWNIUSPOGLF-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCc1ccc(Cn2ccc3cc(C)ccc32)cc1	129544794	SDMDYEWNFXAAQY-UHFFFAOYSA-N	249.357	4.560	0	10	BJAE	
CC[C@@H](C)c1csc(-c2cc(F)ccc2C)n1	132280160	SWTOIGJWOQEZSF-SECBINFHSA-N	249.354	4.771	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCCCC(C)C)CC1	134295060	HGSRHARNFKBVRQ-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CSCC(C)(C)C	147277594	GMQLYHZVFMXCHI-LBPRGKRZSA-N	216.434	4.982	0	10	BJAE	
CCC(CC)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O	148905779	WZKPHRVBKMXYAD-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](O)C1(CC(C)C)CCCC1	157396188	BDJFEROVFABUQE-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](O)c1cccc2ccsc12	163172259	VRZXGHYPWHLMJE-CQSZACIVSA-N	248.391	4.905	0	10	BJAE	
CCCCCC[C@@H](CCCc1ccccc1)NC	163211105	PGQODQHUXYLZRN-KRWDZBQOSA-N	247.426	4.568	0	10	BJAE	
CCCN[C@H](CCC)c1ccccc1C(C)(C)C	167354993	MKNMWOOBVYRNDP-MRXNPFEDSA-N	247.426	4.825	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1CCC[C@H](C)C1	168489548	VDIGNJFPTSQQKT-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1ccc2c(c1)SC[C@@H](C(C)(C)C)N2	214912587	SUSDQZWYYFDDKC-AWEZNQCLSA-N	249.423	4.742	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CCC[C@@H](CC)C1	227396563	URJNKAXECCOWMY-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(N[C@@H]2CCC23CCCCC3)CC1	230171338	GNPRFLHLDSIISD-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](O)(CC2CCCC2)C1	230785223	KRHFLANZPUAFPI-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](c1cscc1C)[C@@H](C)CCC	233176657	FFAMSYRRUBGPIX-SMDDNHRTSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H](C)CCC)NC	253050929	UTICBKHXGJVUSG-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	253194094	PNDKKSRNZXESAS-BARDWOONSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1ccc(Cl)cc1	300877579	OBTMRMXCGLFIMK-ZDUSSCGKSA-N	239.790	4.556	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H](C)CC(C)C)CC1	304197446	XVOKGLMGJKAISU-NFOMZHRRSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1C[C@H]1c1ccccc1	305946065	SPULXSZPLJQUDS-GJZGRUSLSA-N	244.378	4.576	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](CCC1CCCC1)NC	308055098	BQJBWXDTYFGCBF-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1(C)CCCC1)NC	310425101	RKGLZPYRWCLKKU-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CCC(C)(C)C	310434121	NZSXOIHIYJJCQY-OAHLLOKOSA-N	233.399	4.636	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CC3CCC2CC3)CC1	310924788	BAHFOJBSEZSMKS-QIWHZVNUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCCC(C)(C)C)CC1	313263651	DFSDJLQRSYXYAV-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC(C)(C)C)CCC[C@@H]1C	318195369	BAZXJOOHHNNNII-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CCC[C@@H](N)c2ccccc2)CC1	380920760	CWVAMFWIMFZWNN-VMBOVVBDSA-N	245.410	4.683	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCCC(C)(C)C)CC1	382666497	HKZRIAPLFWSCMM-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CC1CCC(CN[C@@H](C)CCC(C)(C)C)CC1	384170782	WNLIMMQVEXRYCV-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@](C)(O)C1CCCCC1)c1ccccc1	384330490	UHCICBBBRHNWJN-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)c1cscc1C	384870407	QXRVNNHRJJJGLK-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
C[C@@H]1C[C@H](CC2(C)CCCC2)c2ccccc2N1	386469430	UNLIFUOFTVSFCV-ZIAGYGMSSA-N	243.394	4.945	0	10	BJAE	
CC[C@H](N[C@H](C)c1ccc(C)cc1)C1CCCC1	387590439	SJLMKBRWDAZTAH-PBHICJAKSA-N	245.410	4.614	0	10	BJAE	
CC1(C)CC[C@@H](NCCC2CCCCCC2)C1	394522274	BNTHAFAHWIUIBD-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CCC[C@H](CC)C1	394555142	HLRNEBOEUWOMIK-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC2CC(C)(C)C2)cc1	395202935	HKDOOTRJKGWBMO-ZDUSSCGKSA-N	245.410	4.649	0	10	BJAE	
C1CCC(CCCN[C@@H]2CC23CCCCC3)CC1	395271927	SUJSAEFXUUPLKN-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
Cc1c(C(F)(F)F)cc2ccsc2c1C	396192795	GANVVAOMYIUGJY-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
O=C(CCC1CCC1)c1cccc2ccccc12	398654730	BZRUXMAJFISEOH-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
CCCNCC1(CC2=CCCC2)CCCCCC1	401076400	LQBLSKMNPVBHCP-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CC[C@@H](C)C(=O)CC1(c2ccccc2)CCCC1	686735982	ATXOPOSQOLSXMA-CQSZACIVSA-N	244.378	4.504	0	10	BJAE	
C[C@@H](CC(=O)CCC1CCCCC1)CC(F)F	688893422	YJTPUKRYCYBBKO-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@H]1CCCC[C@@H]1C	691996922	AMYAGSDJTGYSGP-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CCNc1ccc(C(F)F)cc1	696805185	FYEVARSTOQGNMX-UHFFFAOYSA-N	241.325	4.862	0	10	BJAE	
CC1CCC([C@]2(N)CCCC23CCCCC3)CC1	704433689	AREMGUQBLRDBEA-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CC2CCC1CC2	704959692	VXHPWMBFOISANP-PRLABOORSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@H](C)CC(C)C	708268354	AZVQYVSEVJMNCH-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@H](N[C@@H]2CCCC3(CC3)C2)CC(C)(C)C1	708873018	XEQXVJFIPPMYDU-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(N[C@H](C)[C@@]23CCCC[C@@H]2C3)c1	709105289	DHNGLBJZCJISLA-UNEWFSDZSA-N	243.394	4.630	0	10	BJAE	
CC1(C)CCC[C@H](Nc2ccc(C3CC3)cc2)C1	709649116	WCDQESWQMJRIFB-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
C=C/C=C\CCOc1ccc([C@@H](C)CC)cc1	713739967	SJJDQWNXFWUGKL-AFNCTOJWSA-N	230.351	4.711	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](NC2CCC=CCC2)C1	718052721	MEAQTKAELSTHTN-DOTOQJQBSA-N	249.442	4.680	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CCC(C)=C(C)C	718575177	XPFCBVITVNSLEH-CABCVRRESA-N	225.420	4.667	0	10	BJAE	
CCCC(CCC)[C@H](O)CCC(C)=C(C)C	718600387	NBSHUEQAUPISGP-OAHLLOKOSA-N	226.404	4.700	0	10	BJAE	
CC(C)=C(C)CCC1(N)CCC(C(C)C)CC1	718603797	SUFNZRHWOBNWMO-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)C[C@@H](C)CC(C)(C)C	718606636	SYNKMMWVPOOYRQ-UKRRQHHQSA-N	240.431	4.946	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccccc1Cl	719181607	ZYNPHHSELBPKTD-UHFFFAOYSA-N	236.742	4.659	0	10	BJAE	
CCCCC[C@@H](NC)c1cscc1C(F)F	720225899	DFEQCPUAXLXGQW-LLVKDONJSA-N	247.354	4.527	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C2(C)CCC2)cc1	720745280	XQUKTOMHOOIIKP-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H](CC)C(C)C	720942250	YCXUPQHMOFCQPB-HZPDHXFCSA-N	239.447	4.760	0	10	BJAE	
C1CCCC(CCNCC2(CC3CC3)CC2)CC1	1207347459	ACRNFLUCNDBOPR-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](CN1CC[C@H]1c1ccccc1)CC(C)(C)C	1473207395	QQYJVIFGYKGYOE-ZBFHGGJFSA-N	245.410	4.506	0	10	BJAE	
CCC(CC)(CC)S[C@H]1CC[C@@H](C)C1	1613708041	GCPLCLQEHIZZOM-NEPJUHHUSA-N	214.418	4.877	0	10	BJAE	
C/C(=C\Cl)CSC[C@H]1CC2CCC1CC2	1651944563	VYHDGZULTGAWIF-RUKBINNUSA-N	244.831	4.689	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)C[C@@H](C)C(C)(C)C	1901682732	POJJONDSNFIDTF-AGIUHOORSA-N	226.404	4.556	0	10	BJAE	
Cc1sccc1-c1ccccc1C1CCC1	1901896464	CBDNVLYXQUHEQS-UHFFFAOYSA-N	228.360	4.991	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1cccc(Cl)c1	1905432733	DKQLXZBQWHACQA-FZMZJTMJSA-N	239.790	4.556	0	10	BJAE	
CC(C)C[C@@H](C)[C@@]1(N)CCC2(CCCCC2)C1	1915901870	JBZAPYDGRAFHCB-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCCc1ccc(NCC[C@H]2CC2(C)C)cc1	1921566154	YYFLBPAAZYLEJY-HNNXBMFYSA-N	245.410	4.877	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)C1(C)CCCC1	1925891629	KHSSNGRFVRNRIT-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC(=O)Cc1c(C)cc(C)cc1C	1926143568	GEDRCQIZFJBWEX-UHFFFAOYSA-N	246.394	4.550	0	10	BJAE	
CCC(CC)C[C@H](CCC(C)=C(C)C)NC	1926387740	RIYASQYXZMHGKL-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC1(C)CCCCC1	1935625610	OXJZSLXXTRMLDM-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H](C)CCC(C)C	1937167862	KXRGBUXXNVLWEO-KGLIPLIRSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@@](CC)(CO)[C@@H](C)CCC(C)C	1937168738	IYFGQIBYSHRIGF-GJZGRUSLSA-N	228.420	4.638	0	10	BJAE	
CCC[C@@](N)(CC)C1CCC(C(C)(C)C)CC1	1941153492	ANSCNQAAVWVQJA-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)[C@@H](CC)C(C)C	1941265165	SPPRPJLUMKAWNW-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
N[C@@H](CCCCCC1CC1)CC1CCCCC1	1941583541	GZMUSADBJVWHDX-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC[C@@H](C)NC1CCC2(CCC2)CC1	1944600723	VEJLUSPXFPCPQS-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2CCC(C)(C)C2)CC1	1945585692	UZSPJBHYQQUEFY-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CC2(C)CCCCC2)C1	1945597776	KUQIXMUFYIUZLK-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)[C@H]1CCC1(C)C	1945752646	VTPKAQRBACEQOF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@H]2C(C)C)c1C	1947466646	ZHWHPWNVJZDHPA-GOEBONIOSA-N	231.383	4.540	0	10	BJAE	
C1=C[C@@H](CCc2cccc3ccccc23)CC1	1947551836	JEWUQGVFQJTVML-CQSZACIVSA-N	222.331	4.739	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C[C@@H]1C=CCC1	1947589211	WFBKFWMAJQPENP-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CC2(C)CCC2)CC1	1950921096	BRFAFYHJZLKSET-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1NC1CCC2(CCC2)CC1	1967790860	KKULPKPJCBQKRM-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1CC(NC[C@@H]2CCC=CCCC2)C1	1967815250	QJALZNWGXGPRNN-QQFBHYJXSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCC3(CC3)C2)c(Cl)c1	1968289280	KVSFIYDQAFNNHW-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CCc1cccc(OC[C@@H]2CCCC(C)(C)C2)c1	1968359363	ZTEHMTHQOLIQJK-OAHLLOKOSA-N	246.394	4.844	0	10	BJAE	
CCCC1CCC([C@H](C)N[C@@H](C)C(C)C)CC1	1968368500	LJVVKFVWMKFMNZ-FXQLRMTLSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1CCCC2(CCC2)C1	1969953156	AKZOYZQDJHCRHJ-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CCC)NC1CC(C(C)(C)C)C1	1971388542	CPGKLMTYVODTAI-SLTAFYQDSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC)C(CC)(CC)CC	1978587835	WMAWBUZMKQMGAB-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)CC(C)=CCl	1978664073	LTTZAYKJVXKPOX-AWEZNQCLSA-N	245.838	4.714	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCCCCCC[C@@H]1N	1980341564	JKBAPIJMVDDNKY-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCC1(C)CCC(N)(C(C)(CC)CC)CC1	1981065906	OSRKBDDOVVVNGN-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
C/C=C/CCCc1cccc(C2(C)CC2)c1	1984612184	JNICKVBDUHTJDG-ONEGZZNKSA-N	214.352	4.637	0	10	BJAE	
c1ccc(CCC2CC(=C3CCC3)C2)cc1	1985533838	BBBFDNZRVAQXHL-UHFFFAOYSA-N	212.336	4.510	0	10	BJAE	
CCCCC[C@]1(CC)CCN[C@@H]1CCCC	1990094395	VRJWVJOWMQBUSD-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)C(C)(CC)CC	1995261154	BJVIDYNRCICIIE-KGLIPLIRSA-N	228.420	4.780	0	10	BJAE	
Cc1ccccc1N[C@H](C)C1CCC(C)CC1	1996549964	WYYYPPBOGFGHQO-HNFVBEJKSA-N	231.383	4.622	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC(C)(C)CC)CC1	1997118371	XEGTZPGCWQQAJW-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H]1CCC[C@H](C)CC1	1997209330	VYTCFEHRUNSFCJ-HOCLYGCPSA-N	237.431	4.633	0	10	BJAE	
CCN[C@H](CCC1CCC1)CC1(C)CCCC1	1998032452	PIZQOCZKEHELLR-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]([C@@H]1C=CCCC1)C(C)(CC)CC	1998376234	BJVBKINQJKFXPE-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC1CC([C@H](C)Nc2cccc(C(C)C)c2)C1	1998658063	OJTPZVDMARWNLM-OWYJLGKBSA-N	231.383	4.657	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@H]1CCC=CCCC1	1999989059	WIUCHKNALTZKNF-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)[C@H]2CCCC(C)(C)C2)C1	2000100049	SJWAKAVRDLXPRK-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C(=O)[C@@H]1CCCC(C)(C)C1)C1CCCC1	2000104154	CKLVRHCDFYHHRQ-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](CC)(CC=C(C)C)CNC1CC1	2000500645	WRXONQBILWBCNG-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@@H](C)NCC1(F)CCCCC1	2001386009	WTLPWQCJCBJANY-CQSZACIVSA-N	243.410	4.607	0	10	BJAE	
CC=CCCN[C@@H](C)C1CCC(CCC)CC1	2002924164	FWRRYDSACJSMBC-FHERZECASA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C2CCCCCC2)C1	2002997427	CNAKESSDODUCTL-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@]2(C)C=CCCC2)C1	2003319725	BYAYZZAUUBKXAN-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CC=C(C)[C@H](NCCC)C(C)(C)C1CCCC1	2007853640	MGOGDYIURDJQSG-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@]1(C[C@H]2CCC[C@@H](CC)C2)CCCN1	2009058024	ACRYPOBWTZBAEY-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](N)(CC)CC1C[C@H]2CCC[C@@H]2C1	2011986043	KPPCYEWKGCBAJA-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@](C)(O)[C@H]2CCC2(C)C)CCCCC1	2014899336	OEJYMJOCFHMKAM-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(CCCC[C@@H](O)C(C)(C)C)C(C)C	2015360695	KTQCQKSKEKCFET-OAHLLOKOSA-N	242.447	4.882	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](CC(C(C)C)C(C)C)C1	2015380072	RNCLNYPGCWRSLK-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H](CCC(C(C)C)C(C)C)C(C)(C)C	2015398197	LFRURGVIGMDESD-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC)C1(CC(C)C)CC1	2015754549	GFAMEHNZWUUKJG-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCC1(C)CCCC1	2016150306	SECVYMYLHWQGCF-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)C1(C[C@@](C)(O)CC2CCC2)CCC1	2017113932	GPZBTOUPYSLJNP-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)CC(C)(C)CC	2017245821	PDOMVARMEHELDK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](N)(CC)CC(C1CC1)C1CC1	2018136593	MVEVZRPTPCPTMF-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCCC[C@H]2CC)CC1	2018957652	RHPJAEZFINMLOJ-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1CCCC(C)(C)CC1	2020967513	IJKWSWWDFIPETE-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(=O)C[C@H]1C[C@](C)(F)C1)C(C)(C)C	2021388493	ALHNTQOHYCDMIJ-LALPHHSUSA-N	242.378	4.546	0	10	BJAE	
CCc1cc(F)ccc1NCCCCC(C)C	2023450867	RJEKLMMMOZTQIJ-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
CSc1ccccc1N[C@H]1CC(C)(C)C1(C)C	2025020723	POHYICAOHLFLNG-ZDUSSCGKSA-N	249.423	4.645	0	10	BJAE	
CCC1CC(C[C@H](CCCC(C)(C)C)NC)C1	2025428955	YFAMYMSCAYETPQ-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@]1(O)C[C@H]2CCC[C@H]1C2	2026300344	NVLJXEPKQCNKPM-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1ccccc1CC(C)C	2028924903	YMGGFYMKCDLJIO-YOEHRIQHSA-N	247.426	4.711	0	10	BJAE	
CCC[C@@](O)(c1ccccc1)[C@H](C)CCC(C)C	2029834920	BNLDOZZQNCWRFO-WBVHZDCISA-N	248.410	4.747	0	10	BJAE	
CC[C@H](Nc1ccccc1C1(C)CC1)[C@@H]1C[C@@H]1C	2032246411	QBGHEPKYOUXLLY-GUTXKFCHSA-N	243.394	4.585	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)C(C)(C)C1CCCC1	2032293765	RCDITLGQWYCBOE-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC1(CNC(C)(C)C)CC=CC1	2032505415	IBDYICQXUFFTFG-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@H]1CCC(C)(C)C1	2033400180	IOXRWHHNIATQBU-BBRMVZONSA-N	246.394	4.670	0	10	BJAE	
c1cc(N[C@@H]2C[C@@H]3CC[C@@H]3C2)cc(C2CCC2)c1	2034570655	VKBYXXJBRRJNST-QLPKVWCKSA-N	241.378	4.555	0	10	BJAE	
CCc1occ(C)c1[C@@H](N)CCCCCC1CC1	2035534117	PDCMEBKVWCXFLT-AWEZNQCLSA-N	249.398	4.511	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)C1(CC)CCCC1	2035599914	NXBDABJKGDEOSK-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C1CCCCC(NCC2CC3(CC3)C2)CCCC1	2035892719	VDPQLOZEIQCHPX-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H]1[C@@H]2CCCCCCCC[C@@H]2C12CCC2	2035893105	YIMGGHBQCUYSTH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@]2(N)CCCCC23CCC3)CC1	2035921724	DOAXSVSLVKOBOV-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@H]1CC12CCCC2	2036105075	KFGQDBMIRSYDEE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CCCCc1ccccc1)NCC	2036490470	CCMOKFGBABKKCE-QGZVFWFLSA-N	247.426	4.568	0	10	BJAE	
NC1(C2=CCCCCC2)C[C@H]2CCCCC[C@@H]2C1	2037100977	NMLQGMSRGZHXDL-HUUCEWRRSA-N	247.426	4.565	0	10	BJAE	
CC1([C@H](N)CC2[C@H]3CCCC[C@H]23)CCCCCC1	2037185531	IWMIYWAFTAFYIU-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@H]1CC12CCCCC2	2039005906	LVGGJLJEYKEZTE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2039382939	DWFVBUQGFGKKKS-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC12CCC(CC1)C2)C1CCCCCC1	2039416347	UEYKLGTVXHFXQK-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)[C@@H]1[C@@H](C)[C@H]1C	2043287112	OVHCDYPRXGCOLB-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@H](N[C@H]1CCC2(CCC2)C1)C1CC1	2043609943	SVVZOKJFRJXMEV-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@H]1C(C)=CCC[C@@H]1C	2045750870	YLCCWZAUMLOSNR-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1CC2(CC2)C1)C1(C)CCCCCC1	2045797568	SKDOYIZOEGXYFC-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@H]1CC12CCCCC2	2047055984	OZFPNEZRMDCSOU-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCC1(C[C@@H](C[C@H]2CCC23CCC3)NC)CCC1	2047928482	KKXDUECKWSOGKO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC1[C@H]2CCCCC[C@H]12	2048447039	PNDYNHYUABYHKE-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@H]1[C@H]2CCCC[C@H]21)CC1CCCCC1	2048491221	BPOLIVHRWZDCHS-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@H]1[C@H]2CCCCC[C@H]21)c1cccc(N)c1	2048493818	QRALJGGWHPFRQP-SJWGOKEGSA-N	243.394	4.589	0	10	BJAE	
CC1(C)CCC[C@@H](CNC[C@@]2(C)CC=CCC2)C1	2049508063	GDWSAXRGWRFASO-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@@H]2CCC3(CC3)C2)C1	2049961249	CUNSRYXICVQBIA-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
NC1(CCC2CCCCC2)C2CCCC1CCC2	2050012533	RYGUTEVDLWJBLK-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCCC1(C)CC1)c1ccc(C)cc1	2050431727	SBFRSXQAJXURHH-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCC[C@H]1C)c1ccco1	2050525615	PWNDRWAYLLUSAS-QLFBSQMISA-N	249.398	4.537	0	10	BJAE	
CCC1(C)CCC(Nc2cc(F)ccc2C)CC1	2051589232	MNBLPZWTIBDQBD-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)[C@@H]2CCCCC23CCC3)C1	2053437594	XCWPDOVORIBHLD-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CC(C)c1ccncc1NCC1(C)CCCCC1	2053856139	JQWMIUGDUQQOFA-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@H](CC2CCC=CCC2)C1	2055028943	NTXKQKVERMJBGC-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C=CCC[C@H]2C)CC1	2055589549	WHOVJZIGZDAPLD-GDBMZVCRSA-N	249.442	4.680	0	10	BJAE	
CC=C(C)[C@@H](NCC)c1ccc(CC(C)C)cc1	2056783136	SFDAFSOTJALKNZ-QGZVFWFLSA-N	245.410	4.502	0	10	BJAE	
O=C(CC1CCC=CCC1)C[C@@H]1CCC[C@H]2C[C@@H]12	2057354111	NPDFXRRHXJEFSG-ZOBUZTSGSA-N	246.394	4.518	0	10	BJAE	
C/C=C/CCC[C@@H](C)[C@H](NCC)c1ccccc1	2059255018	DOYZADAKYUQFFI-UXILZDJPSA-N	245.410	4.720	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C1=CCC(C)(C)CC1	2061114195	WHIAFNOKABXALJ-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@@H]2CCCC[C@@H]2CC)CC1	2061116220	NVVINRJAODQEHI-YALNPMBYSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)C1CC(C(=O)CC[C@@]23CCC[C@@H]2C3)C1	2061613378	SANLHRUIGOXPGA-NHMAURGWSA-N	248.410	4.598	0	10	BJAE	
CCCCN(C[C@@H]1CC[C@@H](C)C1)c1ccccc1	2063442662	NHPSXDPZQCFQME-HZPDHXFCSA-N	245.410	4.729	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1C[C@@H](N)CC2(CCC2)C1	2063640575	LNBXUYIFQVEPHV-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccc([C@@H](N)C[C@@H](C)C(C)C)cc1	2069008867	PZFHLSPPWYYLMI-PBHICJAKSA-N	247.426	4.567	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC12CCC2)C1(C)CCCCC1	2069214231	KCDXSWFCPWNFOS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)C1(CC(C)C)CC1	2069522973	DFDLQFRYGNXCNC-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1=CC[C@H](C)CC1)C1(C(C)(C)C)CCC1	2071934048	PJRRZUJTEJCEOD-ZFWWWQNUSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](O)C2(C(C)(C)C)CCC2)cc1C	2071968379	FTDBBCFNEPUGAZ-HNNXBMFYSA-N	246.394	4.553	0	10	BJAE	
CCC1CCC(C[C@@H](N)C23CCC(CC2)C3)CC1	2072820520	WXCPGWYTSLIJPH-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1NC[C@@]12CCCC[C@@H]1C2	2074045228	DJBSOCPRCXNHMW-PBHICJAKSA-N	243.394	4.802	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H]2C(C)=CCC[C@H]2C)CC1	2074638028	AQCAULQFSBGLDZ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCCC[C@H]1C1CCC1	2074901293	XBGURSWKDOPFDA-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CCN(C[C@H]1CC[C@H](CC)CC1)c1ccccc1	2075334688	XVXPQXUPZQOMDF-WKILWMFISA-N	245.410	4.729	0	10	BJAE	
CC[C@@](CNC1CC1)(C(C)C)[C@H]1C=CCCCC1	2075364597	IGWHHXJIRYYLST-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(N(C)[C@H]2C=CCCCC2)CC1	2075404987	IACUKKHEPOCCHO-CGZBRXJRSA-N	249.442	4.776	0	10	BJAE	
CCCN[C@H]1[C@H](CC2=CCCC2)CCCC1(C)C	2076407228	ODYVJEYJQBTNSZ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
c1ccc(C2CC2)c(NC[C@@H]2CC23CCCC3)c1	2077263955	HAWOYXAULLIOLF-AWEZNQCLSA-N	241.378	4.556	0	10	BJAE	
Cc1c(F)cccc1C(=O)[C@H]1CCC[C@H](C)CC1	2077846179	VZPOCFJZLSLJLX-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@@H]2C2CCCC2)CCCCC1	2079437023	YZDUGKDWVIVNAS-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2C[C@@H]2C2CCCCCC2)C1	2079487818	SBJGFIWIOBOQNQ-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2C[C@@H]2C2CCCC2)CC1	2079492771	STGCGMFVAJYGRV-GDVJOBBMSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1cccc2ccccc12	2079656244	MZUCCASJXSJNID-LSDHHAIUSA-N	239.362	4.688	0	10	BJAE	
CCNC[C@]1(CC=C2CCC2)CCC[C@@H](CC)C1	2081684960	ZEDVSXAKVBJTBC-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC(CN[C@]2(C)C=CCC2)CC(C)(C)C1	2082980484	VUBJAYNXAHIONG-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC=C(C/C=C/c2ccccc2)CC1	2210666722	HXFAORSOKITEAZ-GPAKFWEMSA-N	212.336	4.836	0	10	BJAE	
C[C@H](SCCCCC1CC1)c1cccc(N)c1	2214560124	IZEXQDBQBQWBHZ-LBPRGKRZSA-N	249.423	4.643	0	10	BJAE	
CC1(C)CC(N)(CCCCC2CC2)CC1(C)C	2214577429	HFKUBAXOOILNAH-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC1(Cn2c(C)cc3cc(Cl)ccc32)CC1	2214991508	FRCVWOMZJKHQBH-UHFFFAOYSA-N	247.769	4.793	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@]1(C)CC=C(C)CC1	2215817758	SMAUZGDAOCWPSZ-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H](C)c2ccsc2)CC1	2215824467	TXCMVOQCWAFLNN-HIFRSBDPSA-N	249.423	4.535	0	10	BJAE	
CC[C@@H](C)C[C@H](N)CCCCCCCC1CC1	2216875965	ARLMPCQCOINIMZ-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
N[C@@H]1CCCCC1=CCCCCCCC1CC1	2216880019	PUANXYXAKGUVFO-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C[C@@H](CC/C=C/c1ccccc1)CNC(C)(C)C	2219091762	CHHRYZSGWLVMOF-GLNPCMGASA-N	245.410	4.504	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(N)(C1CCCC1)C1CCCC1	2220858688	GKOYXMHNKUYJPS-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1CCN(CC(C)C)c1ccccc1	2220986005	PGXIIODIPVBXQK-JKSUJKDBSA-N	245.410	4.585	0	10	BJAE	
CCN[C@@H](CC1(C)CC(C)(C)C1)[C@@]1(C)C=CCC1	2221028375	PHVLULROLMQCFE-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)C1	2221090178	JRLLGMYYBAGWNC-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)[C@]1(CNC2CCC2)CCC=CCCC1	2223556623	JVUDZAGVTRWJSX-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCC(C)C)[C@@H](C)c1ccc(C)cc1	2223963802	MOWOGUIQUZPYHM-RDJZCZTQSA-N	247.426	4.513	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)c1cccc2ccoc12	2224177074	GDPSQPMVBRUQMR-SWLSCSKDSA-N	245.366	4.505	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1cccc2ccoc12	2224198095	MMZCHMSPFFKEDU-AWEZNQCLSA-N	246.350	4.683	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CCC[C@H]1CCCCC12CC2	2246608272	YKIJJPWLIPRIAN-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1CCCCC12CC2	2246616905	HBLSANRJQZVKCC-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)CC[C@@H]1CCC[C@@H](C)C1	2246724278	DGGLWRKVHWLZQL-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCC[C@@H](N)C2)C1	2246731521	XZDCTYPTIBDCAS-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@H]1C)CC(C)(C)C	2247165472	MJJTZGNZPZVHRK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@H]1CC[C@H](C)CC1	2247173416	RZCZWZMZQCALJP-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCCC[C@H]1C[C@H]1C)C(C)(C)CC	2247177478	WSPRIXRFCYFTSX-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCOc1ccc(CC2=CCCCC2)cc1	2247507077	FFLFKQWYTWQZHD-UHFFFAOYSA-N	230.351	4.518	0	10	BJAE	
CC[C@](O)(CCCCC[C@@H]1C[C@H]1C)C(C)(C)C	2248869783	JXYWBEUDCONMGM-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CC[C@](O)(CCCCC[C@@H]2C[C@@H]2C)C1	2248871784	QTTZXLZLQBGGHD-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CC[C@](F)(CCN)CC[C@H](C)CCCC(C)C	2250480700	HQQMBHSVYDICPI-HUUCEWRRSA-N	245.426	4.696	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC[C@@H](O)C1CC1	2250484757	HEJBGPIVHPXCCH-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCN(CCC)CC1CC(CC(C)(C)C)C1	2251584553	HPZPGMDPAIFRCP-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
C=CC=CCCc1ccc2cccc(Cl)c2n1	2252701570	PUYINLUFJRMHAT-UHFFFAOYSA-N	243.737	4.563	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)CC1(C)CC(C)C1	2253776285	WPBRNZZLIOIVCG-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@](C)(NCC2CC3(CCCC3)C2)C1	2254086839	ZQSSPDKWOVOREB-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@H]1CCC1(C)C	2254832972	NKWWNARDMXABOF-CZUORRHYSA-N	246.394	4.670	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CCCC2)CCC12CCC2	2254844965	AYQBHOVMDYKKTD-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@H]1CCC1(C)C)[C@]1(C)CC=CCC1	2254849618	UUVCLJNLDBSTQH-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1C[C@H]1CCC1(C)C	2255028337	OHABVZQELHNNJP-NFAWXSAZSA-N	243.394	4.658	0	10	BJAE	
C[C@@H](NCCCCCCC1CC1)[C@@H]1CC12CCC2	2256415034	DUYFLBMJKOGVOX-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CC2CCC1CC2	2257362782	UUMPXCDUVJTWJX-NCSWOWMGSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc(NC2CCC=CCC2)cc1	2257927665	UQVINLWUGYTVMB-UHFFFAOYSA-N	243.394	4.940	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]2C2CCC2)cc(C)c1C	2258233486	OGUKBCJJTMORSC-DLBZAZTESA-N	243.394	4.602	0	10	BJAE	
C[C@@H]1CC[C@H](CNc2cc(C3CC3)ccc2F)C1	2259116309	PCFCDIJZHDIBCC-NEPJUHHUSA-N	247.357	4.551	0	10	BJAE	
CC(C)(C)c1ccc(NC2CCC(F)CC2)cc1	2259217430	VEFXIIIWHZEAOU-UHFFFAOYSA-N	249.373	4.677	0	10	BJAE	
CCC1([C@H](N)C[C@]23CCCC[C@@H]2CC3)CCCC1	2260582964	MEMNOYHBJVYLAQ-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@@]12CCC[C@H]1CC2	2260625732	PYYKDOCWTKFVKV-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCCCN1C[C@]12CCCC[C@H]1CC2	2260626877	VNODJEKDSKBNPY-GVDBMIGSSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1CNc1cccc(C2CCCC2)c1	2260663918	UIMKTWROBALMJK-LAQFHYBYSA-N	243.394	4.658	0	10	BJAE	
CC1CCC([C@H](N)C[C@@]23CCCC[C@H]2CC3)CC1	2260677060	CNEFLIIRSRKGCN-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
C(=Cc1ccccc1)CC[C@@H]1C[C@@H]2CC[C@H]1C2	2298433870	QNNQZLRTKXNSEA-BBWFWOEESA-N	226.363	4.916	0	10	BJAE	
CCC(CC)CC[C@H](N)C[C@@H]1CCC12CCC2	2300678152	HTAPBDUOQQRBBC-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H]1CC(C)(C)CC[C@H]1NC	2300685383	DVKANWNCOBWRSD-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CCNc1cccc(C2CCC2)c1	2300866931	FXPUQPQORUVHNM-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CCC(C)=CCc1ccc2c(c1)CCC2(C)C	2300928606	HFHGSOKNAMASLP-UHFFFAOYSA-N	228.379	4.809	0	10	BJAE	
CC[C@@](O)(CC1CCCCCC1)C1CCCC1	2301138476	WJMIMTQLDJEQTL-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@@H](C)[C@@H](C)C(C)C)C(C)C	2301965729	WPEMCYVPXCHDOA-KKUMJFAQSA-N	240.431	4.802	0	10	BJAE	
CCCCC1CC(N(C)[C@@H](C)[C@@H](C)C(C)C)C1	2301978862	ROMBMZCHJPEZNS-FXQLRMTLSA-N	239.447	4.568	0	10	BJAE	
CCCC(C)(C)[C@H](O)CCCC1=CCCCC1	2302359069	MZCUTPDHAPFBSN-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC[C@@]1(C)CCCCN1	2302542212	IUXCXMUUWXMYFX-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(C(=O)C[C@@H]2CCC(C)(C)C2)CC1	2302748988	SIWSIOCMKQFUOL-MOKVOYLWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CNC(C)C)CC1(C)C	2307748018	VHJWZXKHKHRUTP-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(C2CC2)CCCCCN1	2307819806	PZAFSZYBFFQANW-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC)CC=C(C)CC1	2307839850	ADWYLANLXPFVOL-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)C[C@@H]1CCC[C@H]1C	2308413942	REALTGRGDBAKCV-PNBKFKSVSA-N	249.442	4.667	0	10	BJAE	
CC1([C@](C)(N)CC[C@@H]2C[C@H]2C2CC2)CCCCC1	2308571903	MKVUBFWQCYTGFW-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C)([C@@H](N)CC[C@@]23CCC[C@@H]2C3)CC1	2310373924	KEEJYZPEWUCDQB-QFDKOSDTSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CCC)[C@H]1C=CCCC1	2311585622	VLCMGGGXWFKTSR-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1CC)[C@H]1C=CCCC1	2312456950	MBIJKNLGXOGSDB-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCc1cc([C@@H](N)[C@H](CC)CC(C)C)ccc1C	2314696425	DMYXHUGKTXKPHZ-WBVHZDCISA-N	247.426	4.630	0	10	BJAE	
CCC(CC)CC[C@H](N)c1ccc(C2CC2)cc1	2316249011	VLLKMFHFSYMTAC-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CC=CC[C@H](NCCC)c1ccccc1C1CC1	2316502273	JRKRCSQJDYDGEC-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC(=CCC(=O)[C@]12C[C@H](C)[C@H]1C2)CCCC(C)C	2316564954	VISCBPHEIQQNSL-UXLLHSPISA-N	248.410	4.764	0	10	BJAE	
CC(=CC[C@@]1(N)C[C@@H]2CCC[C@@H]21)CCCC(C)C	2316568525	QVQRRPFVVKZQKT-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@]12CC[C@](N)(CC3CCCCCC3)[C@H]1C2	2316884841	KATOENQRXJMYMO-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@H]1CCC12CCC2	2316886976	UBSALKXLWILYKG-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@]2(CCN2CC2CCCCCC2)CC1	2316887614	ZPTZRGZKBPWTLX-WOVMCDHWSA-N	249.442	4.611	0	10	BJAE	
CC1(N)CCC(C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2317005801	ZLJPCZNPBYYBFE-VPABYTGTSA-N	249.442	4.501	0	10	BJAE	
COc1ccc(C)cc1CCCC1=CCCCC1	2318572945	LVJQQHDHQCTCBY-UHFFFAOYSA-N	244.378	4.827	0	10	BJAE	
C1=C(CCCc2ccc3c(c2)COC3)CCCC1	2318581247	URQHFQJCFLFKGZ-UHFFFAOYSA-N	242.362	4.540	0	10	BJAE	
CC1(C)CC[C@H](CC2(CN)CCC3(CC3)CC2)C1	2319038808	GTBHLSMLPYQPJU-AWEZNQCLSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC[C@H]1CC[C@H]1C1CC1	2319740645	LVLWZWIWCYAKLM-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)CC1CCC=CCC1	2320152655	NEVNTNSCTIXGGG-LSDHHAIUSA-N	248.410	4.764	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2CC[C@@H]2C(C)(C)C)c1	2320239733	HCRZLXHKTCHXPO-GJZGRUSLSA-N	245.410	4.788	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H](C)C2(C)CCCCC2)CC1	2320422212	GACFMKOYLFECFZ-JKSUJKDBSA-N	249.442	4.824	0	10	BJAE	
CC[C@H]1CCN[C@@H](c2cc(C)ccc2C(C)C)C1	2327672777	ITUHWSZNPFALGF-WMLDXEAASA-N	245.410	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CNC)c1ccc(C)cc1	2328195504	DVZCROBRWZLRQU-RDJZCZTQSA-N	247.426	4.514	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C(C)(C)c1ccccc1	2328282753	RMLFEVGJTXANRU-ZBFHGGJFSA-N	248.410	4.542	0	10	BJAE	
Cc1ccc2c(sc3ccccc32)c1C	6071479	BRZWYUOAWQYIAT-UHFFFAOYSA-N	212.317	4.671	0	10	BJAE	
CCCC[C@@H](CC)NC(C)(C)CC(C)(C)C	68986579	AKMUZQAYDXDPNN-CYBMUJFWSA-N	227.436	4.760	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCCC(C)(C)C1	79976917	FWHCMLRPPWXKIJ-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
C[C@@H]1CC[C@@H](c2ccc(C3CCCCC3)cc2)N1	84071197	FXTXJGKLMHAANJ-DYVFJYSZSA-N	243.394	4.547	0	10	BJAE	
CC(=O)CC(C)(C)C[C@H]1CCCc2ccccc21	84415944	MJKHRZIBINSMJV-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
C[C@@H]1CC(NC(C)(C)CC(C)(C)C)C[C@H](C)C1	84466033	AYTFZRDKXASKPY-PBWFPOADSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CCC(C)(C)C)CC1	87187328	XNTXWHNLDWRGKI-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCCC(=O)c1ccc(C)c(C(C)(C)C)c1	107775272	VYHSOHFXMBIDOL-UHFFFAOYSA-N	232.367	4.665	0	10	BJAE	
CCCc1cccc2c(Cl)c(CC)c(C)nc12	109693231	KJDTWBKAPYSICN-UHFFFAOYSA-N	247.769	4.712	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)C2CCCCC2)cc1	109901814	GKSUPJKUOBQNAY-GJZGRUSLSA-N	245.410	4.614	0	10	BJAE	
CCc1oc2ccccc2c1C(=O)C(CC)CC	110175431	UQHOYBRVIWAUMX-UHFFFAOYSA-N	244.334	4.614	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](CC)CC[C@@H]1NCC	110446021	CLNQNVUFNQWVKG-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@](C)(CC)CNC(C)(C)C	128415219	FEXMNRXAMFIWBH-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CNC1CCC2(CCCC2)CC1	129495069	URCKHDXOTHSUQA-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H](C)c1cc(C)cc(C)c1	132617588	RIIQTJSSKBHJSC-YOEHRIQHSA-N	245.410	4.533	0	10	BJAE	
C[C@H](N)c1ccc(SC2CCCCCC2)cc1	149354936	PLTFNLGVEOATJY-LBPRGKRZSA-N	249.423	4.521	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cccc(C)c1	160139554	YLLFMNIPIBGBGI-INMHGKMJSA-N	245.410	4.614	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)[C@H]1CCCC[C@H]1CN2	214648876	DTEWJMLQJOZIKR-JSGCOSHPSA-N	243.394	4.683	0	10	BJAE	
Cc1cccc2c1nc(Cl)n2C1CCCCC1	217624863	VQDWGIMGCBIAOG-UHFFFAOYSA-N	248.757	4.503	0	10	BJAE	
CCC[C@H](C)C[C@@H](C)[C@@H](NCC)c1ccccc1	229078774	BLWNKCCXRIJONN-ZMSDIMECSA-N	247.426	4.800	0	10	BJAE	
CCN[C@@H](C=C(C)C)C1(CC(C)C)CCCC1	229741856	CXENAVZMLMDXDJ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C)c1cc2cc([C@H](C)CC)ccc2o1	232359511	TWEGVFYDBJKYKR-NEPJUHHUSA-N	245.366	4.617	0	10	BJAE	
CCCCCC[C@H](NC)C1=CCCCCCC1	232947701	QLCMPOANVOXLMX-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CCCNC[C@@H](C1=CCCCC1)[C@H](C)CCC	233085112	RHCSEODGJKACNY-GDBMZVCRSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@H]1CC1CCCCC1	235353062	JPOLWDPCOJYYDG-DYVFJYSZSA-N	243.394	4.630	0	10	BJAE	
CCCCc1ccc([C@H](CC)C[C@@H]2O[C@@H]2C)cc1	250008395	JXBQXEZWHHGVCF-UNEWFSDZSA-N	246.394	4.700	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1NC	250819211	KLIAYDQEELAQBS-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](CCC)CC[C@H]1N	250835535	USTGWWZAZQNSFS-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](NC[C@H]2CC=CCC2)C1	300308660	KCCLCGUZPDKGHT-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](C)(CCCC(C)(C)C)CNCC	300968489	ZMDSNSXSDOSJPV-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1CCC1CCCCC1	302243302	GOELOFJCJDZCGC-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CCC)NC(C(C)C)C(C)C	304587713	TYRWRJORDDNUMX-CQSZACIVSA-N	227.436	4.616	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1CCCCC1)NCC	306060295	WSGSSZFLZVQHNM-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc2sc(Cl)cc2c1Cl	307293027	LNCHKNULONPNQU-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](NCC)C(CC)CC	308040697	AYUVOMOTNOSDEB-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@H](CCCC(C)(C)C)C1	309996209	ZWRBDAATHBYOOB-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
c1ccc(-c2ccc(N[C@@H]3CC[C@@H]4C[C@@H]43)cc2)cc1	311757777	ZZXCAUJTKLDUHK-BPQIPLTHSA-N	249.357	4.564	0	10	BJAE	
CCC[C@H](N[C@H](C)c1ccccc1)C1CCCC1	313456766	BTWNUHOLWNEFGV-PBHICJAKSA-N	245.410	4.696	0	10	BJAE	
CCN[C@H](c1ccc(C)c(C)c1)[C@@H](C)[C@@H](C)CC	319950425	CDFHMPAZYQCQNL-NUTKFTJISA-N	247.426	4.636	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)C)cc1)[C@H]1C[C@H]1C	321518760	NUJWWWCYQRBJLP-KCXAZCMYSA-N	231.383	4.657	0	10	BJAE	
CC[C@@H](N[C@H](CC)C1CCC1)C1CCCCC1	322678065	JDTLKZJHIMLDOM-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C(C)(C)C(C)(C)C	379878834	AHXGEWUTODIXIR-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C(C)(C)C(C)(C)C	383877838	QXUMSICHVFAMRZ-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCCc1ccccc1[C@@H](CCC(C)(C)C)NC	384662886	OVPNTEOPYUVRKB-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCc1ccc([C@@H](N)CCC2=CCCCC2)s1	385701585	LCAOPSAXMWHXOX-AWEZNQCLSA-N	249.423	4.591	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CC12CCCCC2	387097854	GSOFUHNNUOQKEY-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1C[C@@H]1CC(C)C	387981303	IEHRSAJCPUOVQA-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CC12CCCCC2	395235525	RGGDRBGIGORNPQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCc1csc2ccc(C(F)(F)F)c(F)c12	396295366	JEAHHDDOLOOJIK-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
C[C@@H]([C@H](N)c1cccc2ccccc12)C(C)(C)C	399070546	BLYSKNXNHCIZCY-LRDDRELGSA-N	241.378	4.522	0	10	BJAE	
CCCCCC[C@@H](NC)c1csc(C)c1C	399833362	DICGHJCIKGNCKI-CQSZACIVSA-N	239.428	4.596	0	10	BJAE	
CN[C@H](CC1=CCCC1)C1(CC(C)C)CCCC1	401097891	DIVMRRVDVGWRLF-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(CCC2=CCCC2)cc1	401098112	JMYVFYJXFZHZIX-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CCCC1CCC1	688405815	RYYMTRQYWVAMQU-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)CC2CCCC2)c1	689802549	RLSQUAGNENGYKQ-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cccc(C3CCC3)c2)C1	690119986	AFZINIYHKAFFOM-SUMWQHHRSA-N	243.394	4.945	0	10	BJAE	
CCCC[C@](N)(CC)CC/C=C/c1ccccc1	690514741	JRVXQCROXQCMKR-JZUUQJBKSA-N	245.410	4.778	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCCCC[C@@H]2C)c1	691076366	XVKIYFFTACKSAN-DZGCQCFKSA-N	231.383	4.684	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)CC1(C)CCCC1	696251482	YHHQIEAGRWIHPV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](CC(C)(C)CC)NC)C1	696251622	ZAYJHOAJYAOVCI-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1CCCC2(CC2)C1	696647061	RIQOASDVAPJQAL-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCn1ccc2c(F)cccc21	696782564	OFCJLOKMUOGQBO-UHFFFAOYSA-N	233.330	4.607	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C1(C(C)C)CC1	697558962	OPXOAZYWPXCSBC-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@H](C)CC(C)(C)C	701069274	LOBMXFZBTKSPAR-STQMWFEESA-N	228.420	4.636	0	10	BJAE	
C/C=C\[C@H](NCCC)c1ccc2sccc2c1	704614846	SUZXMMLIPGGJJE-MFBWXBCUSA-N	245.391	4.518	0	10	BJAE	
CCCc1ccc([C@H](NC)[C@H](C)CC(C)C)cc1	704752301	JLTXBUNTJRPSNC-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
C[C@H](C[C@]1(N)CC2CCC1CC2)C1CCCCC1	704886669	PJEGAGSHUZJNES-LYSZQXJVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](c1coc(C)c1)C1CCCCCCC1	706336419	AKNZVOYQLRWVGD-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@](C)(N)CCC(C)(C)C	709171959	ZKFWCDNWABAXPT-BBRMVZONSA-N	241.463	4.993	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCC/C=C/c1ccccc1	710017628	LZVKULKXLJLUMG-BMQCOBNYSA-N	245.410	4.504	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@@H](C)C(C)(C)C	711182114	INCCBGGOKDIFLO-CJNGLKHVSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC1(CN)CCCCCCC1)C(C)(C)C	711221925	AXRYJNMSHVLLCI-AWEZNQCLSA-N	239.447	4.748	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)CC[C@H]2C)c(F)c1	713064949	KABCQTDPXWYIKO-DOMZBBRYSA-N	249.373	4.761	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@H]1CCCCC1(C)C	713132788	KNGRCBKMJARUCF-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@](O)(CC)CC1CCCCC1	713672598	IIUYELGZOYQYPR-OGZRUICASA-N	236.399	4.620	0	10	BJAE	
C=C/C=C/CC[C@]1(CNC(C)C)CCCC[C@@H]1C	713724911	KVJNKAPYQHXAIZ-YMPXZSTISA-N	249.442	4.703	0	10	BJAE	
CC1CCC(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1	714303031	HUPDZISWWMVDCL-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
Cc1coc(C(=O)C2CC(C)(C)CC(C)(C)C2)c1	716217761	GRVOJGZIGXYDSJ-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CCC(C)=C(C)C	718494067	MDFPJDZSFQXJPG-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@]1(C)CC1(C)C	718609505	CIOMWCPCVGMZQT-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CNC[C@]1(C2CCCCCC2)CCC=CCCC1	718994889	FKBBVWCAKDPNCJ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC2CC2)CCC=CCCC1	718995567	CYPUXCMJJRIYRQ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCCCN1C[C@@H](C)CC(C)(C)C	1653382378	UIBDUIBUKOUOJQ-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC12CCCCC2)C1CCC1	1875413576	CBKIIZBPUWABRH-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC=CCc1cc(Cl)c(Cl)cc1Cl	1888061730	YFVKVKHHZQPFOB-UHFFFAOYSA-N	235.541	4.765	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(C)(C)C(=O)C1	1905430348	AJZZBFIVEXDUAV-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC=CCCCC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	1908080966	BTUDWPVCVMOPAT-CZUORRHYSA-N	236.399	4.764	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H](C)CC(C)C	1911923828	MRKSKJGUPJGUMP-CVEARBPZSA-N	237.431	4.559	0	10	BJAE	
CCCCCC[C@](C)(O)CC1CCC(C)CC1	1919975252	OEDYWJIXGSPJEG-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1C[C@H]1C1(N)CCCCCCCCCCC1	1920488510	FYKBUAFLVVDMJN-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C1CC(CCC)C1	1921175121	HUIKGLFDJOAJME-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(C(=O)C2CC(C(C)C)C2)cc1	1921287686	ORIAXJJSTDVXHN-UHFFFAOYSA-N	244.378	4.675	0	10	BJAE	
CC(C)c1ccccc1NCC[C@@H]1CC1(C)C	1921547002	SMXZSNZELNQCEF-CYBMUJFWSA-N	231.383	4.658	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@@H](C)C1CCCC1	1924126073	PKJMTUZBALZWPL-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C=C1[C@@H](CN)CCCC12CCC2)C(C)(C)C	1924788202	GAGPFOAXVLOMRM-UONOGXRCSA-N	249.442	4.524	0	10	BJAE	
CCC(CC)CCN[C@H](CC)C[C@@H](C)CC	1926143020	BXGSTHCXNNRTHG-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CCC(=O)CCC1CCC(C(C)(C)C)CC1	1936137500	ZXRDIHDYVDBIHE-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC1(COc2ccc(C)cc2Cl)CCC1	1936603374	AIJXHINTOWEDHT-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@](C)(O)C1CCCCC1	1940873566	RIJYYFQTACNEAV-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@](N)(CCCC2CCC2)CC1	1941461916	IZCYGYPAPFHCQS-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(O)CCCCCC1CC1	1941576972	WFGZAEAJLZKDJW-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@]1(N)CCCC1CC1	1941584642	PXXGZRDLMYHAAX-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCNCC1([C@H](C)CCC(C)C)CCCC1	1942661073	VFFNSFGGPJADFL-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@H]1CCC(C)(C)C1	1945584843	SSHAFNXWMLHBML-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@H](c2nc3cccc(Cl)c3[nH]2)C1	1945586465	WXRORODMWXZMSA-VIFPVBQESA-N	248.757	4.510	0	10	BJAE	
CCCCC[C@H](C)NC1CC(C2CCCC2)C1	1945964449	XURUBMZIRZXRFD-JEYLPNPQSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cccc2sccc12	1945971081	WSEZSFZVGPSCPL-CYBMUJFWSA-N	247.407	4.727	0	10	BJAE	
CCC[C@H](NC[C@@H]1C=CCCC1)c1cccs1	1947585015	IAJAPGLMUHHIFY-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CCC(CC)C[C@]1(O)C[C@@H]2CCCC[C@@]2(C)C1	1948596389	PCFRHPCOMRWPJP-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@H]1CCC[C@@H](CC)C1	1948865076	SHNWZYQNCDJBBR-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
NC1(CC2CC=CC2)CCCCCCCCC1	1949015783	ZDNCODORXYHQPV-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(N)CCCCC1(C)C	1949051066	KXHMUJWTRXOOAE-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@H](O)CC2CCCCCC2)C1	1949421121	KOXACDUBVDLNQZ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@H](C2(O)CCCCCCCCC2)C1	1949451680	ITIZPIPTSUMPNP-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCNC[C@@]1(CC(C)(C)C)CCC[C@H](C)CC1	1950925221	RHMDZGMMOGQCRZ-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(F)cc1NC(CC1CC1)CC1CC1	1968312607	NELMWBOOLWVUBJ-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC[C@H](C)c1csc([C@]2(C)CC=CCC2)n1	1976659239	BWEFEKVQTNRBOQ-SMDDNHRTSA-N	235.396	4.654	0	10	BJAE	
CCC(C)(CC)C[C@@H](N)c1cccc(Cl)c1	1980684405	GMBPZSXPUYROFW-CYBMUJFWSA-N	239.790	4.556	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)C1(C)CCC1	1981354404	RFKRBTWPZWTCEL-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCCC(C)(C)NCC1(C)CCCCC1	1987101056	DFRYWSAJIFMUCH-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC(C)=C(F)Cn1ccc2c(Cl)cccc21	1989653501	LFIVDCNJCLVQTD-UHFFFAOYSA-N	237.705	4.558	0	10	BJAE	
CC1(C)CC(C[C@@](C)(N)C2(C)CCCCC2)C1	1995985809	ASJVPCVGMPLSBR-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(C1CCCC1)C1CCC(C)(C)CC1	1996592082	AHAWMOONEKLCGA-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(O)CCCC2(CCC2)C1	1997044342	YFYBVSMJGVWVPU-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@]1(C)NCCCCCC1CC1	1997358335	RTMFEAAQORLFLB-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Cc1cc([C@H](N)C[C@@H]2CCC=CCCC2)cs1	1999990604	LFSGZSQZHLWAMZ-UKRRQHHQSA-N	249.423	4.583	0	10	BJAE	
CCN[C@@H](CC(C)C)C[C@H]1CCC=CCCC1	1999992968	XTLCTZKIXLHEEE-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@H]1CCC=CCCC1	1999999286	QWFOIWYRJQOBMN-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC1(CC(=O)C2(C)CCCCCC2)CCCC1	2000219182	REMZSERMRBYWET-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCNCC(CC)(CC)CC1(CC)CCC1	2000500062	QILLKCYOMLCMEA-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@](C)(CNC)CC1CCC(C)CC1	2000512506	RWVIZBOUXYRYCA-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCOC(=O)C(CC)(CC)CCC(C)(C)CC	2000690508	GOVRXVLJOZJGCB-UHFFFAOYSA-N	242.403	4.572	0	10	BJAE	
CCC(CC)[C@@]1(O)CCCCC12CCCCC2	2001602232	JEPHZUFUTZGWAZ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)[C@@H]1CCCC(C)(C)C1	2002981488	BZOGRPJXXVJMPT-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CCC1(CC)CCC(N)(CCCC2CC2)CC1	2004341080	GYEHTCDPADANQI-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCC1(C)CCC(NC[C@@H](C)CC(C)C)CC1	2004370219	UOAXDTKVYBFDDM-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCC1CC([C@H](O)C2(C)CCCCCCC2)C1	2004923376	PXADOTRRGUFVED-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C1(C)CCCCCCC1	2004942244	QKOFJGYNLSBOGN-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C1(C)CCC2(CC2)CC1	2007683554	QPDUMRHBXXGCEH-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(COc2ccccc2C(C)C)C1	2007766215	SXSCZLTZINBUHT-UHFFFAOYSA-N	232.367	4.625	0	10	BJAE	
CCCC[C@](CC)(CN)CC[C@@]12CCC[C@H]1C2	2011022528	CXSGEQKRJHDRRO-HRCADAONSA-N	237.431	4.502	0	10	BJAE	
CC1(C)C[C@H](N)C[C@H](CCC2CCCCC2)C1	2012064097	TUUDXOSOAZWURH-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC[C@](CN)(C[C@H]1CCC=CCCC1)C(C)C	2012432906	KFHYCDMEVWRCNN-JKSUJKDBSA-N	237.431	4.524	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2015235735	FDCFRAIZVDQAAA-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC1(CC)CCC1)NCCC	2015596742	UTHOHAPYVNGLNL-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC1(CC)CCC(O)(C[C@]2(C)C[C@@H]2C)CC1	2016309730	BXPPMRSSSIBLAA-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(CC2(O)CCC(C)(C)CC2)CCC1	2017115108	UKFUAWCAZVFSSU-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)c1ccc2sccc2c1	2017226857	WRTDOFPEJKJFDW-QWRGUYRKSA-N	244.359	4.520	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](O)CCC2CCCC2)CC1	2017714020	BXWLEGQUYDUFEH-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@]12CCCC[C@@H]1C2	2018570798	BJVMNCZKTNPVGN-BZUAXINKSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@](O)(CC)C2CCCCC2)CC1	2018965725	UEAJMYMYPLGNEP-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)CN(CC)C[C@H]1CC[C@H](C)CC1	2019453239	YZKICFNZILASRV-KOMQPUFPSA-N	239.447	4.571	0	10	BJAE	
CCN[C@H]1[C@@H](CCC=C(C)C)CCCC1(C)C	2020363234	HKZTXEBHGMLTOS-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)CC[C@]1(C)CNC(C)(C)C1	2022142989	YPQNBDPAUDRWBW-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CCC(C)(F)F)NC	2026170998	UBWLRGHWPGIANN-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
C=CC=CCC[C@@H](CC[C@@H]1CC1(C)C)NCCC	2027813331	VLMMDUCAHHOHEG-CVEARBPZSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CCC[C@H]1COc1ccccc1C(C)(C)C	2032477308	ASOSBUCHSVQCNH-KGLIPLIRSA-N	246.394	4.799	0	10	BJAE	
CC1(CCN[C@@H]2C[C@H]3CC[C@H](C3)C2)CCCCC1	2033212248	ILCVHOGOIHQHJO-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
CC1(Nc2ccc(C(C)(C)C)cn2)CCCCC1	2033434082	ZTUBYOGKFZTQAF-UHFFFAOYSA-N	246.398	4.514	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CC[C@H]3CCCC[C@H]32)c1	2034267115	YWIZNHZLXRRYAW-UMVBOHGHSA-N	247.357	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](C[C@H]2C=CCCC2)NC)CC1	2035576145	MYTZLVSABQFKNF-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C2=CCCCCC2)CC1	2037094991	XEHLSWDUAAZIGL-WBVHZDCISA-N	249.442	4.955	0	10	BJAE	
Cc1cc(C)c([C@H](N)C[C@H](C)CC(C)C)cc1C	2037107035	UDAJPVPUQFYHDE-SJKOYZFVSA-N	247.426	4.684	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)CCCC1CCC1	2037144266	WMERUWLZNPUSEG-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCC12CCCCC2)C1CCC1	2037160621	LUBSBRSVGMZFDU-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C[C@](N)(CCC1=CCCCC1)CC1CCCCC1	2037169277	RXONSGALMMOWFE-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CC1CCC=CCC1	2037207381	VBKRXLWJUBISKU-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@@H]1CC12CCCCC2	2039010104	VXKMTLPYPCIORT-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CCC[C@@H](C)CC1	2039376659	SGJCMUUXTCCSQB-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCC1=CCCCC1	2039435475	DPRFUWDAKPMOFZ-USXIJHARSA-N	247.426	4.587	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](C)C2CCC(C)CC2)c1	2040633989	UHRXYBRTSVRZSO-QRMWWUJWSA-N	249.373	4.761	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C[C@@H]2C=CCCC2)CC1	2040644503	NLCBPBHXSFQMFB-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)[C@H]1C=CCCC1	2043194483	MXKGYVHHVBIZJE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1c1ccc(C(=O)CCC2CCCC2)o1	2045561007	CCIPVNNQYISLEL-YPMHNXCESA-N	246.350	4.556	0	10	BJAE	
C[C@H]1CC(C(=O)C[C@H]2CC23CCCC3)C[C@H](C)C1	2047061974	JYPVBRNEPZNLIM-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2047345436	JTMPDJJZDSMFTA-UIEKQHFFSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(CCNC[C@@]2(C)CC=CCC2)CC1	2047714804	BFMPCYKSMOEBQZ-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)[C@@H]2CCC23CCC3)CC1	2047936929	UICBOONKCLEDEO-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CCC1)C[C@H]1CCCC2(CC2)C1	2049855225	IYXLTHHSHDTNDN-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC1CC1)CC1CCC2(CC1)CC2	2049859168	QAZUQJKPKUCUEG-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@@H](O)CC[C@@H](C)CC(C)(C)C)c1	2050442138	SYHGWWNHVIZOPM-ZBFHGGJFSA-N	248.410	4.881	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CC(=O)c1ccc(F)cc1	2050495366	SRMAFJWBFQYKMK-JSGCOSHPSA-N	248.341	4.615	0	10	BJAE	
CN[C@H](CC=C(C)C)c1ccccc1C(C)(C)C	2051404071	BGEYCOHAAJWXJA-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
C[C@@H]1CC[C@H](N2CCCC[C@@H]2C2CCCCC2)C1	2051669182	RILNXYIIQNQNLC-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
CC1=C(C)[C@@](N)(C[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCC1	2055591904	LVSSAJZLBXGKBQ-IXKJSCDLSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C1(C)CCC2(CC2)CC1	2056538917	BYZXUHKJUMANIK-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1([C@H](O)C2=CCCCCC2)CCC2(CC2)CC1	2056935917	ZEJBOLXEQYCOTC-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H]1CC[C@H](C)CC[C@H]1C[C@@H]1C=CCCCC1	2058986278	AKHKSSYJZWTRRV-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H](O)c1cccc2ccccc12	2059221990	VHKTXICQMRMJIO-QGZVFWFLSA-N	240.346	4.620	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1CCC12CCC2)NCC	2059249013	DGQSBZKIIMMPPS-KADIJHKTSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@](C)(CNCC)CC1CC(=C2CC2)C1	2061741287	JOYORLYYCLDTCS-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC12CC([C@@H](N)CCC1CCCCC1)C2	2063994034	NOSNAQOSZJZMHR-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
C1CCCCN(CC[C@@]23CCC[C@@H]2C3)CCCC1	2065850380	LGIXYBCWTLRQTD-IAGOWNOFSA-N	249.442	4.613	0	10	BJAE	
CC1([C@](C)(N)CC2CC(=C3CCC3)C2)CCCC1	2067503972	KMMCXQUDNNTBDU-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
C[C@@H](C=C1CCN[C@@H]1C(C)(C)C)C1CCCCC1	2067825729	CBPHTXDNLGFGIQ-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CC23CCC3)CC1	2069168765	SOXBQBSZLYGRQX-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2070304105	LSSMMVRJDSNMGF-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(NCC2(C(C)(C)C)CCC2)cc1F	2071952563	DWFKRKJKJAFKMV-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CCC[C@H]1CC[C@H](CNCC2=CCCCC2)CC1	2072794358	SSFSTCIIKRZOPQ-JCNLHEQBSA-N	249.442	4.683	0	10	BJAE	
CCC1CCC(C=C(C)c2cccc(N)c2)CC1	2072819848	GAVSMUDIADHJFC-UHFFFAOYSA-N	243.394	4.889	0	10	BJAE	
CCc1ccccc1OC[C@H]1CC[C@H](CC)CC1	2072876685	CEJAZNBDDHPJPI-SHTZXODSSA-N	246.394	4.844	0	10	BJAE	
CCCCC[C@](N)(CC)c1cccc(C2CC2)c1	2073342094	URMKOBNVASVKHI-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
C[C@H](c1ccccc1)N(C)C1CCCCCCC1	2074779888	JBEFVHXFGXAPTF-OAHLLOKOSA-N	245.410	4.792	0	10	BJAE	
C[C@H]([C@@H]1CCCC(C)(C)C1)N(C)[C@H]1C=CCCC1	2075084023	HTQNETZHDJMKGX-OAGGEKHMSA-N	249.442	4.632	0	10	BJAE	
O[C@]1(CCC2=CCCCC2)CCCC2(CCC2)C1	2075720821	KYCWDNJRBNXVKL-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H]1C[C@H]1C1CCCCC1	2079433291	ZDRMIJQLLGLFEI-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CC[C@H](C(C)C)C1	2085313875	MAMZSPCVDUIPCU-ZFWWWQNUSA-N	249.373	4.625	0	10	BJAE	
CCC[C@](N)(CCCCC1CC1)C(C)(C)C	2211111596	ARJOFPMJNJKXMB-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](CCCCCCC1CC1)NC	2213576355	OYGRSIKIFBSDRL-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](NCCCCCCC1CC1)C1CCCC1	2213583322	QSBVMJWBVSTHQA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(O)CCCCCC1(C)C	2215234771	YCNLDBHSLPZOLF-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC1(C)CC(C)(C)C1	2215384184	DEPRAMMPDPSFNB-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@H]2CCC(C)(C)C2)CC1	2215806449	FOSPVGPIFDQODR-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
CCC1CC(CC(=O)[C@@]2(C)CC=C(C)CC2)C1	2215820378	CXLCPQIIKJAERI-XUJLQICISA-N	234.383	4.518	0	10	BJAE	
CC[C@@H](C)NCC1(CCC(C)C)CCCCC1	2217136436	IOLRECANIQKLCD-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CN[C@H](C)CC)CC1(C)CCCC1	2217149852	KRXUQIJNWYEQHV-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1=O	2218374170	NHEUBWVQNRLYMM-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@@H](O)CC=Cc1ccccc1)C(C)(C)C	2219062521	NGEQXCMYFLKYHY-ZBFHGGJFSA-N	246.394	4.523	0	10	BJAE	
CC(C)(C)C(=C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)CN	2222947579	BCNBSKRVHUIAAH-RBSFLKMASA-N	249.442	4.524	0	10	BJAE	
CC[C@H](C)NC[C@@H](CCC(C)C)c1ccccc1	2223591719	CWOBKPLLOJDFEE-DOTOQJQBSA-N	247.426	4.595	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1CCC1(C)C	2243137714	LAGNNXPNWLTEOM-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCCCCN(C)CCCCC[C@H]1C[C@H]1C	2248839035	BUVZPZNGDAEZSQ-CVEARBPZSA-N	239.447	4.715	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC[C@@H](C)N1	2250476811	QHJKSXXQTVMBAG-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(NC[C@@]23CCC[C@@H]2CC3)c(Cl)c1	2251162041	JBUZMVOTHVFGAF-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
C[C@H]([C@H](N)c1ccc2ccsc2c1)C(C)(C)C	2253130600	UUFZAWYCIPTKCP-YGRLFVJLSA-N	247.407	4.583	0	10	BJAE	
CC(C)CC1(NCC[C@H]2CCCCC23CC3)CC1	2253884809	WOEIKJPCIJJSMI-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C1CC2(CCCC2)C1	2254568282	GFLXRFGKAZGRKU-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CCN(C)CC2=CCCCC2)C1	2255135997	IZZIUZDGMUKBSV-JKSUJKDBSA-N	249.442	4.635	0	10	BJAE	
CC=C(CC)[C@@H](C[C@H]1CCCC12CC2)NCCC	2255242468	AECJPVRXCZDLHR-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@]23CCC[C@@H]2CC3)CC1	2260517063	QCXBURRBMVCNEM-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@@]12CCCC[C@H]1CC2	2260557296	OODIJGSWZBQZNP-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)[C@@H](N)c1cccc(C2CCCC2)c1	2260727000	JPUPIEABLLRJHG-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)c1cccc(C2CCCC2)c1	2260732243	WUDQDPDFTKBEHJ-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
C1=C[C@H](Cc2ccccc2-c2ccccc2)CC1	2263186115	OETNDFGYKLRMRG-HNNXBMFYSA-N	234.342	4.862	0	10	BJAE	
CC[C@H]1C[C@H]1CCN(C)[C@@H](CC)CCC(C)C	2298137130	XOIMVMYKLAFVKX-XHSDSOJGSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](CN[C@@H](C)CC)C[C@@H]1CCC[C@H]1C	2298224994	KWTRDUFEJBOASW-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCCNc1cc(C(C)C)ccc1C	2300455568	IGHBLLJSJIOYFT-UHFFFAOYSA-N	229.367	4.663	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC1(C(C)C)CCC1	2300500201	DODVIHRKIHCAOW-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@H](C)CC(C)C	2300691056	PGGWVLWTOOJBGC-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCCC1CC([C@@H](CC=C(C)CC)NCC)C1	2300899229	MDGXAOWSHNZWOZ-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1[C@H](Nc2ccc3sccc3c2)CC1(C)C	2302137846	AYNNLHUWUXYPEV-GXFFZTMASA-N	245.391	4.748	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@@H]2CCC(C)(C)C2)CC1	2302692599	YIWMXJDFGXLBIV-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCC(C)(C)C2)CC1	2302764331	WTZSIEYHRFUJCK-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@@H]1CCC(C)=C(C)C1	2303522145	KRUYOOFYQFPFMH-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCC[C@]2(C)O)C1	2304397186	SHLNKAJXQMBVTQ-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CCC1CCCC1)NC	2307891596	DMOWRSWZAOOWQG-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H]1NCC[C@@]12C[C@@H]1CCCC[C@]1(C)C2	2310194296	CNFWAOJOKVDUFK-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H](CC)c1ccccc1	2316239198	PWPTYQVLJBXEGT-IRXDYDNUSA-N	247.426	4.724	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C[C@H]1CCCC12CC2	2316543191	XEHPQIMVKGDPEK-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@]1(C)C=CCCC1	2317003921	XWSHQYXDGIHKPM-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC=C[C@@](O)(CCCC2=CCCCC2)C1	2318547141	ZEIMTFAUIKVZOK-KRWDZBQOSA-N	248.410	4.764	0	10	BJAE	
C1=C(CCCc2cccc3c2COC3)CCCC1	2318579849	VMBXJNHLFPGNFR-UHFFFAOYSA-N	242.362	4.540	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)C1(C)CCC1	2318589942	VXSZQWKZHOFRQQ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
O=C(CCCC1=CCCCC1)C1C[C@H]2CC[C@@H]2C1	2318593779	YIDYJPUWWSNSRU-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C[C@@]12CCCC[C@@H]1CC2	2318931551	QWHQXTHUOJBEIU-MPTYRVRUSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@H]2CCC(C)(C)C2)c1	2319141560	SOUWITCQZTUCOD-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCC[C@@H]2C[C@H]21	2319253183	SNCNTKQRZNIWCN-BZUAXINKSA-N	243.394	4.548	0	10	BJAE	
CCCC(=O)C[C@@H](c1ccccc1)C1CCCC1	2319677865	SEHBEXPYEQWQDQ-KRWDZBQOSA-N	244.378	4.720	0	10	BJAE	
CC(=C[C@H]1CC[C@H]1C(C)(C)C)[C@H]1CC[C@@H](N)CC1	2320253550	MRSWEAMWFGNSRA-LVQVYYBASA-N	249.442	4.523	0	10	BJAE	
CCCNCC1(C[C@@H]2CCC(C)=C(C)C2)CCC1	2320332219	WFIIRNXFJLATQP-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)=C(C)C1)[C@H]1CC1(C)C	2320396841	FQLRMZPZBJVJMD-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@@H]1CC[C@H]1C)c1cccc(C(C)C)c1	2320516759	KJVSSYDLYLKFJG-UKPHBRMFSA-N	245.410	4.507	0	10	BJAE	
N[C@](CCCC1=CCCCC1)(CC1CC1)C1CC1	2320625721	AWZIBWIHWGKPSX-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)C23CCC(CC2)C3)C1	2321605876	PVWBZEPGILOREC-BOLLXYOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)c2ccoc2)c1F	2327802867	SXGXYJRZZBCTIS-LLVKDONJSA-N	247.313	4.715	0	10	BJAE	
CCCC[C@H](CC)Cc1sccc1F	2333182773	RJWWALPDHADCLW-JTQLQIEISA-N	214.349	4.646	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NC[C@@H](C)c1ccccc1	19233010	ZNJURAAFWOWRPM-BFYDXBDKSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cc(F)ccc1F	21055816	LLACCLMPKORUGF-PWSUYJOCSA-N	241.325	4.592	0	10	BJAE	
Cc1ccccc1N[C@H]1C[C@H](C)CC[C@H]1C(C)C	21514612	NNHFFAKNLHWZMW-KMFMINBZSA-N	245.410	4.868	0	10	BJAE	
C[C@@H](CCNc1ccccc1)CC(C)(C)C	34597631	MKAJXIDZNJVEMK-ZDUSSCGKSA-N	219.372	4.561	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H](C)C1CC1	37259435	HWYOTIZEHGLBCT-AWEZNQCLSA-N	239.447	4.904	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](CC)CC1CC1	69671303	CCXSCGSVAJYWRY-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](CC)CSc1ccc(N)cc1	71107415	GSHIEGFCSGTQJO-LBPRGKRZSA-N	237.412	4.577	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(C)cc2)C1	71118125	VDYLYNNSWAINKB-UXLLHSPISA-N	245.410	4.614	0	10	BJAE	
C(=C\c1ccccc1)\C=C\C=C/c1ccccc1	71789412	BOBLSBAZCVBABY-FJJINHQHSA-N	232.326	4.969	0	10	BJAE	
CC(C)C[C@@H]1CN[C@H](C(C)(C)C)c2ccccc21	84230513	LGEWKZKFRVVAIE-CJNGLKHVSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(O)CC1CCCC1	87164270	AURHXBJCLZYYQB-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)CC[C@@H](C(C)C)C3	87818850	YTKFGKMOPMMIPK-CYBMUJFWSA-N	241.378	4.546	0	10	BJAE	
CC[C@]1(c2ccccc2)[C@H](C)[C@@H]1c1ccccc1	102913822	IUDJXXIBCCBBLD-ZTFGCOKTSA-N	236.358	4.768	0	10	BJAE	
CCCc1ccc([C@H](O)C[C@H](C)C(C)(C)C)cc1	111653846	DQXKNFFMJMDVDH-XJKSGUPXSA-N	248.410	4.745	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](c1ccccc1)C(C)C	111665427	HDSDLPZMRJUPIM-YOEHRIQHSA-N	247.426	4.798	0	10	BJAE	
O=C(CC1=CCCCC1)c1cc2ccccc2o1	125247489	AONZVUSNVZGWCG-UHFFFAOYSA-N	240.302	4.506	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)C2(CC)CCCC2)C1	125994194	OSWRPBGNFRHDLN-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)c1cccs1	132915634	YLFRIAZKPFMVNF-CQSZACIVSA-N	239.428	4.615	0	10	BJAE	
CCCCOc1ccc(N[C@H](C)CC(C)C)cc1	142778411	HAXSUWMGGDMZGG-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
CCN[C@H](CC(CC)CC)C1CCC(C)CC1	148286733	HJELMGPCOZJYFQ-AVVWSFFYSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc([C@@H](N)C[C@@H](C)CC(C)(C)C)c1C	163448535	DLAILUCREAJGNK-WBMJQRKESA-N	247.426	4.766	0	10	BJAE	
CCCCC[C@@H](O)C1CCC(CCCC)CC1	168414944	RJMBDLOBHUSWQM-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
CC(C)C1CCC(N)(CC2CCCCC2)CC1	203347637	WPXWBDYWFCAIIE-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)[C@@H](CC)CCCC	221155158	ICHLHZRNDDUVPP-KBPBESRZSA-N	214.393	4.534	0	10	BJAE	
CCCCC[C@@](C)(O)CCC1CCCCC1	223305543	CLKWSLIVIRHQPJ-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
Cc1cccc(F)c1NC1CCC(C)(C)CC1	224990449	KYUNAFAJXQLPGM-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H](C)CC(C)(C)C)C1	229199322	ZBLWDTOVSFJIAC-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)CC(=O)c1cccc(C)c1Cl	229447852	KZQRUCSQRSUMDL-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCCN[C@H](CCC1CC1)c1ccc(C)cc1C	229558420	RXBXRTXIHFWUQQ-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](CNc2ccc3ccccc3c2)C1	230431839	PZIKUXCZDKOEKG-KGLIPLIRSA-N	239.362	4.688	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)c1cccs1	233546133	BFKQURFENKEJEA-HNNXBMFYSA-N	249.423	4.679	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CCC[C@H](C(C)C)CC1	251774505	IPSFTFHRJKYLRY-VGWMRTNUSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)CC(=O)[C@H](c1ccccc1)[C@H](C)CC	253192302	MZQBDNUSSBNWNL-VBQJREDUSA-N	246.394	4.822	0	10	BJAE	
Cc1cc(C(C)(C)C)cc(C)c1C(C)(F)F	259020569	PRNQXYNBAGITJP-UHFFFAOYSA-N	226.310	4.713	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CCCC(C)(C)C)C1	300884013	OXAHJGXTJBFTGX-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1/C=C/CCCCC1	302418119	LJNJORBGOJVPGV-HUXQLNKYSA-N	237.431	4.681	0	10	BJAE	
CCc1csc2ccc(Cl)c(Cl)c12	307496087	NDHPGQPKXNVMHW-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CC1(C[C@@H](O)c2cc3ccccc3s2)CCC1	310500715	JDYTZIPHKGFJQZ-GFCCVEGCSA-N	246.375	4.515	0	10	BJAE	
CC[C@@H](Nc1ccccc1C)c1cccc(C)c1	310688071	MXGOALWAUAWLNG-MRXNPFEDSA-N	239.362	4.867	0	10	BJAE	
Cc1ccc([C@H](O)C[C@@H](C)C2CCCCC2)cc1	310901366	WIDKHBLYQVXHRB-RHSMWYFYSA-N	246.394	4.635	0	10	BJAE	
Cc1cc(F)c(-c2ccccc2C(C)C)cc1N	310902970	CNWWZAUBQAOECV-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CCC(CC)C[C@@]1(CNC(C)C)CC=CCC1	317648193	ZZZJZIQOTAVXNR-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)[C@H](C)Oc1ccccc1C(C)(C)C	319525259	AHFZXRVJAHVPOC-OLZOCXBDSA-N	234.383	4.798	0	10	BJAE	
CCCOc1cccc2c1ccn2[C@H](C)C(C)C	319584983	TYUZVHPCUUJTHL-CYBMUJFWSA-N	245.366	4.647	0	10	BJAE	
Cc1ccc(-c2ccc3ccccc3c2C)cc1N	384806100	ZKYCYJPBHQPCCT-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
C[C@H](C[C@H](N)CCC1=CCCCC1)C(C)(C)C	385657759	FXJJBLKRZCMKON-UKRRQHHQSA-N	237.431	4.667	0	10	BJAE	
CCC1(CNc2ccc(C(F)F)cc2)CCC1	386205890	GCZWIYIHJSFXMX-UHFFFAOYSA-N	239.309	4.616	0	10	BJAE	
Cc1cccc(NCC2(C)CCCCCC2)c1F	394609720	RPVWPEYWRFGOED-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)c1occc1C	395303623	BSYLLZJSYBPCDO-OAHLLOKOSA-N	247.382	4.519	0	10	BJAE	
CCOc1cc(CC)cc2scc(Cl)c12	396191655	PNLWMFAAYBUHLE-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1csc2ccc(C(F)F)c(C)c12	396243351	MWZPUWFEZCABAF-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
Cc1ccc(C(F)F)c(Cl)c1C(F)F	575677632	UGIDYZFMFBTILE-UHFFFAOYSA-N	226.600	4.524	0	10	BJAE	
CC(C)(C)N1CCCCC[C@H]1c1cccc(F)c1	616634048	VXULCKXLNSIWKI-HNNXBMFYSA-N	249.373	4.541	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C(OC2CCCC2)CC1	687764438	JRPFEBUYQDEOSP-GFCCVEGCSA-N	222.372	4.676	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCCC1=CCCCC1	689717421	LYDALINDMWVFSC-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
CC(C)(C)CCCC1(O)CC(c2ccccc2)C1	690739808	FNYLYEUSLBEFCO-UHFFFAOYSA-N	246.394	4.512	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1ccc(C)c(F)c1	691143826	ZITAWLQZRNRRBW-CJNGLKHVSA-N	249.373	4.905	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H]1CCC[C@@H](C)C1	696251508	YYYRTPNKYYCSBD-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(O)(C1CCC1)C1CCC1	696678239	MKUAJXSUZKFXQK-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)CC)CC[C@@H](C)C1	696804352	YGEKGEJXGSKUID-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cccc2ccccc12	697292475	MPEHZIAXKTYIPG-MRXNPFEDSA-N	242.362	4.700	0	10	BJAE	
CCC(CC)[C@@H](C)Nc1cc(C(C)(C)C)ccn1	699605260	JVXIJTXXQTVNBI-GFCCVEGCSA-N	248.414	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC[C@]1(C)O	699694545	ARLMDTZURFHMAX-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CC(C)NC/C(=C\[C@@H]1CC1(C)C)C1CCCCC1	700663357	LYBUYQSGVDDOCS-AAGJOFLKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCCC[C@@H]2C2CC2)C1	704475695	WZEPVPXUGCQNJX-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@H]1CCCC12CC2	706252821	HQGXACISTAHOIE-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
c1cc(N[C@H]2CCCC23CC3)cc(C2CCC2)c1	706600826	JKPCNAFJCCPNEX-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC[C@@]2(C)C[C@H]2C)cc1	707708813	FWDPEJGIDTWJTD-JKIFEVAISA-N	245.410	4.507	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(O)CCCCC[C@H]1C(C)C	709209269	CHLUUHYNACYPRL-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](N[C@H](C)C(C)(C)CC)c1ccccc1	710033963	GPUGWGCWVCAWCV-GDBMZVCRSA-N	247.426	4.942	0	10	BJAE	
Cc1cc(N[C@@H]2CCC(C)(C)C[C@@H]2C)cs1	710757414	FMDQOMJKDVVXFR-GXFFZTMASA-N	237.412	4.683	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)C[C@@H](C)C(C)(C)C	711157418	KTVCWJKVWPDHMI-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)C[C@H](CC)C(C)(C)C	711182691	ZIUQBWAXZHREMU-KBPBESRZSA-N	228.420	4.780	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC(C)(C)CC[C@@H]2C)c1	713056444	DGKIFNKCDPFOOX-GOEBONIOSA-N	245.410	4.930	0	10	BJAE	
CCC(CC)(c1ccccc1)[C@H](O)CC(C)(C)C	713171013	UMIHIRHKMUJOST-OAHLLOKOSA-N	248.410	4.542	0	10	BJAE	
C=C/C=C\CC[C@@H](N)C1CCC(CCCC)CC1	713759142	CFONYTZMFJKSFA-NBZWMJTFSA-N	249.442	4.833	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)CCC(C)(F)F	714024091	CKQZHFALAKIXNL-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC(C)c1cccc(NC[C@]2(C)CC2(C)C)c1	717127299	MADDSTCLSPYZMM-INIZCTEOSA-N	231.383	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CCC(C)(C)CC1=O	717533894	PQKHDGUNCBNGOH-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CNC[C@H]1CCCCC[C@H]1CCC(C)=C(C)C	718494434	MOENGFXGNGTIJW-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CC[C@@H](C)C(=O)c1ccccc1	719176395	VBIYJIWPNWHVRA-CQSZACIVSA-N	230.351	4.642	0	10	BJAE	
CCC(C)(CC)[C@@](O)(CC)CC1CCCCC1	721002241	YGCFBWZVJOHNMX-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
Fc1ccc(-c2ccccc2-c2ccccc2)cn1	1239507713	VWRSNDSWTWBRTE-UHFFFAOYSA-N	249.288	4.555	0	10	BJAE	
CCC[C@H](C)Sc1ccc(C)cc1C	1656064283	AUZRZDRRCCRUOT-LBPRGKRZSA-N	208.370	4.584	0	10	BJAE	
C[C@@H]1N(CCC(C)(C)C)c2ccccc2C1(C)C	1659420872	BEQILFVESKCODL-ZDUSSCGKSA-N	245.410	4.609	0	10	BJAE	
CCC(CC)CNc1cc(C)cc2ccccc12	1664765764	BUQBJMWKJDIASN-UHFFFAOYSA-N	241.378	4.996	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(C)=CCCNC(C)C	1876996617	UAUKORZXWYFLNY-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C=C(CNC(C)C)C1CCCCC1	1877095384	IRWBDWCXAAJEGY-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H](CC)CC(C)C	1900700345	COTDLXSUKCHRBO-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@H]2CCCC2(C)C)n1	1905271336	PKGCXGYOEMKZCA-OUAUKWLOSA-N	235.396	4.560	0	10	BJAE	
CCC[C@@H](CC)COc1cc(C)ccc1Cl	1905295766	XBNLAXRLILEIAR-GFCCVEGCSA-N	240.774	4.854	0	10	BJAE	
Cc1cccc(Cl)c1NCC[C@@]12CCC[C@@H]1C2	1908415793	FAZZDNUOOLGLEY-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCCC[C@](CC)(CCC[C@@H]1C[C@@H]1C)CNC	1908571462	PCBGNSWKDNTUGB-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](NCC)C(C)(CC)CC	1910736521	RKRHHXQLIMUSFK-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC=C1CCC[C@H]1[C@H]1CCCCN1	1912033119	FDAKKVRRGQFTRO-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C=CC=CCC[C@]1(CNCC(C)C)CC[C@@H](C)C1	1912070385	SSEKKQITWHZBHK-SJORKVTESA-N	249.442	4.561	0	10	BJAE	
CCCC=CCNCCCCCCC(C)C	1914659660	PCWBZIRBGNXRQK-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
C[C@H](C[C@]1(N)CCC2(CCCC2)C1)C(C)(C)C	1916403434	DVDBDFKIQSRKPI-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@](C)(O)CC(C)(C)C(C)C	1919975911	PTCDIXBYMNXHFT-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CCCc1ccc([C@](C)(O)CCCC(C)C)cc1	1920026300	HLEUEUDWXJBJFI-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CC1(C)CCC(C)(C)C1N[C@@H]1CCCC12CCC2	1921504129	SLKKROKSOZMGFZ-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@@]1(C2CCCC2)CCCC12CCC2	1921656704	ISSFEEGFGVISOJ-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)[C@H](C)C2CCCCC2)c1	1924130098	LKHOAZOFDYEHBO-PBHICJAKSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H](C)C1CCCC1	1924139158	ODBILTWPQXEVPF-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC(C)=C(C)CC=C1[C@H](CN)CCCC12CCC2	1924793098	OFQCLEDDIWLJSR-HNNXBMFYSA-N	247.426	4.588	0	10	BJAE	
FC(F)c1cscc1C[C@H]1C=CCCCC1	1925875336	UBNJQLVRSLFCQE-JTQLQIEISA-N	242.334	4.975	0	10	BJAE	
C1=C[C@@H](CC2CC3(CCC3)C2)CCCC1	1925875804	YMUVPERYESJOCL-CYBMUJFWSA-N	204.357	4.703	0	10	BJAE	
CC1(C)CCC(CN)(C[C@@H]2C=CCCCC2)CC1	1925919237	BRMVRILODCBHFT-OAHLLOKOSA-N	249.442	4.668	0	10	BJAE	
CCCCc1ccc([C@H](N)CC(CC)CC)cc1	1926390158	QMCDZYXMWRFJDB-QGZVFWFLSA-N	247.426	4.855	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)C(C(C)C)C(C)C	1940247371	AALMQLNSZVBKIV-INIZCTEOSA-N	242.447	4.882	0	10	BJAE	
CC[C@@H](CC(=O)CCCC1(C)CC1)C(C)(C)C	1940882263	IVAMFFAHKMPLPP-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1(CCCn2ccc3ccc(Cl)cc32)CC1	1940885081	WLVCFUMLIKRHPX-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCC1CCC(=C(C)c2ccc(N)cc2)CC1	1940964670	CFLRCAJEQLTOQF-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](C)c2ccc(N)cc2)C1	1940968866	VCYOEBCXFVINSO-MCIONIFRSA-N	231.383	4.589	0	10	BJAE	
CCCC[C@@H](C=C(C)c1ccc(N)cc1)CC	1940969153	XHXBEGYJFCOFFR-AWEZNQCLSA-N	231.383	4.889	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CCC[C@H]1CC1(C)C	1941251712	MLPOZTNOKFFKOB-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)C1=CCCCCC1	1941271577	FELVHPGAYQACKL-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@@H](C)CC(C)C	1941596475	MMMOBLFHGMUHCS-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C(C(C)C)C(C)C)[C@@H](C)CCC(C)C	1942665623	ZJXGRAYHJBGQJD-GOEBONIOSA-N	241.463	4.575	0	10	BJAE	
CCCC[C@H](CC)CC1CCC2(CC1)C[C@@H]2N	1942917187	QFBQXBYFXIBIDQ-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C=C1CCC(C(C)(C)C)CC1)CN	1945794929	MJVZZVGCHDTDQV-GICMACPYSA-N	237.431	4.524	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1c(C)cccc1F	1947458958	HVKVVVPXYPDUJN-GXTWGEPZSA-N	235.346	4.515	0	10	BJAE	
CC[C@H](C)C[C@@]1(O)CCCCCCCC1(F)F	1947511849	ZZQBOXFDWQCPFB-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](N)C2=CCCCC2)s1	1948967138	HEPSSEADXUAQKI-AWEZNQCLSA-N	249.423	4.546	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)[C@@H]1CCC2(CCCC2)C1	1949432097	IBCXFGZNCQXUCH-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H](C)C1CCCCCC1	1950101191	VEDAFELXFIMWTF-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCC1(O)C[C@H]2CCC[C@@H]2C1	1950287826	RBTBIEIKFXZUPL-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]([C@@H]1CCCC(C)(C)CC1)C(C)(C)C	1950914128	NGYZCFBNCLWXOU-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
Cc1cc([C@H](N)CCCC(C)C)sc1Cl	1960258149	BONLRUCBJKUIBA-SNVBAGLBSA-N	245.819	4.536	0	10	BJAE	
CC(C)CN(C[C@@H]1C=CCCC1)c1ccccc1	1966283088	MSKWUSPYENTDHD-MRXNPFEDSA-N	243.394	4.505	0	10	BJAE	
CCCC[C@H](CC)CNC1CC(C(C)(C)C)C1	1968237934	QGNZOKFKBYOVQX-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)c1cc(C)cs1	1976003013	IAZCMOBSWMLPHZ-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)C(CC)CC	1978637456	HYRCNMVKQONDQZ-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1n1ccc2c(Cl)cccc21	1982610680	CYNMULKMRHRDCU-MFKMUULPSA-N	233.742	4.656	0	10	BJAE	
C[C@@H]1CCC[C@H]1n1ccc2cc(Cl)ccc21	1982612040	LXHXPIVOSOTZIV-ZWNOBZJWSA-N	233.742	4.656	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CC[C@@H](C)C1	1990094053	RETBGAKRUTZEST-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)N(C)CCCC(C)(C)C	1990840834	LAYFDHAROVCWDA-CQSZACIVSA-N	227.436	4.713	0	10	BJAE	
CCCCCC[C@@](C)(O)c1cc(C)c(C)s1	1993979159	NDMHYBFOQDKLKB-CQSZACIVSA-N	240.412	4.543	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N(C)C1CCCCCC1	1995704025	IOEFIWLEURXSBX-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H](NCC)[C@@H](C)C1CCC(C)(C)CC1	1996594518	NFIMTUFBLOTTKV-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@H](C)CC(C)(C)C)NC	1996612842	LCWRWIXYUKJTIR-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Cn2c(C)ccc2C)CC1	1997195553	KPXUJAPWCGTABX-HZPDHXFCSA-N	233.399	4.711	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@@H]1CC(C)C	1998759728	PLBJLQVPSJNNFC-XUWVNRHRSA-N	239.447	4.616	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)c1c(C)csc1C	2000295034	BVSFNIGFXCQCPO-GXFFZTMASA-N	248.391	4.540	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)CC(CC)CC	2000510249	CTUPWGYULWDIBH-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2000833930	MTRAHUAHZRPNSL-QXSJWSMHSA-N	237.431	4.514	0	10	BJAE	
CC=C[C@@H](NC)C1CCC(CCCCC)CC1	2003069426	XURGPVBOMSCOFX-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@]1(C)C=CCC1	2003328902	HAYFJCCXIHKLDR-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H]1[C@@H](N)C1(C)CCCCCCC1	2004923136	NRIHPOSJHGPBJN-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCNC[C@@H]1CCCCC1(C)C	2005585389	FGHKTEWYIASHPM-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(O)CC(CC)(CC)C2)C1	2009299332	OYEWSUYFCJEPST-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CC(N[C@H]2CCC[C@@H]2CCC)C1	2009715615	HLZWUCAHURNUJR-GRAKBVBRSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)C1=CCC(C)(C)CC1	2010726154	NVUXFCDMWVOKEM-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
CC[C@@](CN)(CC1CCC(C)(C)CC1)C(C)C	2012431543	ATALIXHTNDCYRB-INIZCTEOSA-N	239.447	4.604	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@]3(C)C[C@@H]23)cc1Cl	2013055338	FALXVHQKVMHQKF-NWANDNLSSA-N	249.785	4.503	0	10	BJAE	
CCC(CC)(CC)NCCC(C(C)C)C(C)C	2015360769	LRDPFYPSHADWBK-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@H](C)C[C@@](C)(N)C1CCC(C)(C)CC1	2015410607	DEJNPQSOFHUMFS-CZUORRHYSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@H]2C2CC2)c(C)cc1Cl	2017044820	UIAAIZONNKFPGV-JSGCOSHPSA-N	249.785	4.557	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)CC1(C(C)(C)C)CCC1	2017236581	KBRUDWCSVDGQFE-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(F)COc1ccccc1C(C)(C)C	2017471398	ZRWMZQGBHSKWKO-UHFFFAOYSA-N	236.330	4.626	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)[C@@H](C)[C@@H](C)CC)CC1	2017657312	DPDVTJABGLFCHH-UVPYHEFZSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CC1CCC(CC)CC1)[C@H](C)CC	2017730066	CNCCCMUBAYYCPY-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CCCCNC2CC2)CC1	2017733620	MHAVSWJVKVKQQQ-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@]2(C)C[C@H]2C)CC1	2017777629	HGHFBOIHADNGLT-IXYNUQLISA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C(=O)C2CCC3(CC2)CC3)sc1C	2017979362	MWILCDXGRHAURV-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](CC2(CCC)CC2)C1	2018970419	PDJMNFWWJLEAKW-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@@H](NC)C2(C)CCCCCC2)CC1	2018996282	LGMQWFFCLIBXFW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)CCC1=CCCCC1	2019341888	FXVMYZSPHBLHQS-AWEZNQCLSA-N	237.431	4.633	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)CC1(C(C)(C)C)CCC1	2019387009	SQEAXTARAVFDIB-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1C[C@@H]1C1CCCCC1	2022414093	ZILOEIZGJZNGLN-ZHAXYTGKSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1ccc(C(C)C)cc1	2022493057	OKZZHBYYVUKVPY-LSDHHAIUSA-N	231.383	4.658	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CC(=O)CCC1CCCCC1	2022562204	YVCMYTHLNIRHKM-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1(CCC)CC1	2023338829	IMLIFGXRNSFNHZ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc2nc3c(c(Cl)c2c1)CCC[C@H]3C	2024000057	WBZBEDWCANKFAV-SNVBAGLBSA-N	245.753	4.636	0	10	BJAE	
CC[C@](O)(C[C@@H]1CCCC(C)(C)C1)C1CCC1	2024121497	DOHYFFLXUXUNOZ-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@H]1CC12CCC2	2026166788	MKJCPSHYBOKPQF-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCc1cccc(CC)c1N[C@H]1CCC[C@H](C)C1	2026859172	PYFZNMFRZLSLFF-BBRMVZONSA-N	245.410	4.802	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CC1(C)CCCCC1	2027312701	YDEBGJJCYRDSIF-OAHLLOKOSA-N	246.394	4.697	0	10	BJAE	
Cc1ccc([C@H](O)CCC[C@@H]2CC2(C)C)c(C)c1	2027842656	JYHQLRVIILKYAX-GDBMZVCRSA-N	246.394	4.553	0	10	BJAE	
C[C@H]1CC=CC[C@]1(N)C1CCC(C(C)(C)C)CC1	2028114450	HCPJENJCTOUGDJ-PBMMVSLJSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@](C)(N)c1ccc(C2CCCC2)cc1	2031751567	FLEQHORUCHGFGB-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
CCCC1(Nc2ccc(C(C)(C)C)cn2)CCC1	2033055315	LQCZNHDECWEHPE-UHFFFAOYSA-N	246.398	4.514	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)C1(C(C)C)CC1	2035594425	UEHZHMCUXSUQIO-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)[C@H]1CC2CCC1CC2	2037172943	UPCQXZSQSWJNQF-GQGLESIBSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCC3(CCCC3)C2)cc1	2037671796	IEBNGDVGQFAFCF-OAHLLOKOSA-N	242.362	4.538	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc([C@H]3CCC[C@@H](C)C3)[nH]c21	2038007762	RQVKIHCBOUFKDT-NDBYEHHHSA-N	246.398	4.704	0	10	BJAE	
CC[C@@H](NC1CC2(CCC(C)CC2)C1)C1CCC1	2038940441	KYJYWKIHASNGNM-XOJNLIDHSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NCC[C@H]1CC=CCC1)C1(C)CCCCC1	2039873341	VOMBOSQIMXQLIV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H]([C@@H]1CC[C@H](C)C1)[C@@]1(C)CC=CCC1	2042025496	VVPXRRLZHUKTDU-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H](C)C1)C1(C)CC=CC1	2042025729	YBCFRECXNMOLCO-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@@H]1CC(C)=C[C@H](C)C1	2045690412	NLGKNXDIKOOPNV-RRQGHBQHSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H]1CCCC[C@H]1CC	2045795798	BLTMDBWPYCRLNN-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(N[C@@H]2C[C@H]3CCCCCC[C@@H]32)CC1	2047437970	PQACRHMNHFNHEQ-QTPCEWDRSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@@H]1CCC12CCC2	2047933257	RZUSBMZONRDFAZ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@H]1[C@H]2CCCCC[C@H]21	2048366388	PYGWBNVVMMMZJA-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc(CC3(C)CCCC3)[nH]c21	2049790337	AKLIVJOXUCYIDV-TXEJJXNPSA-N	246.398	4.533	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CCCC2)C1(C)CCC1	2052351139	FECPUMXXNGPOPF-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2056537329	KMXBMXPYPGSVDP-QJNCVLDKSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCCC1CC2(CCC(N)CC2)C1	2056622069	YSYDDVJQFGVZSF-WDCUWTOYSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@H](N)CC2CC(C3CCC3)C2)CCCCC1	2056644324	BCWCWNMLGGQDJW-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H]1CCCC1(C)C	2056875098	CSLHNRUFFBLSEY-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CC2CCC=CCC2)[C@H]1CC	2058727262	DIRABHVQARUCFV-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC1(CC[C@@H](O)c2cccc(C(C)(C)C)c2)CC1	2059171744	KFKJAIPQALAIII-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
C[C@H]1CCCC[C@]1(CCC1(C)CC1)CNC1CC1	2059181951	XTBXSQRZJREFDD-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCC[C@@H](CNCC)c1ccccc1	2059250905	VBWPCYJJBJJQJW-KRWDZBQOSA-N	245.410	4.516	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)C1CCCCCC1	2060926722	SRVLCFZDHKAKSY-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)CC2=CCCCC2)CC1	2061087691	HOQYFUNGCGTWJW-DOTOQJQBSA-N	247.426	4.587	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)C[C@@]23CCC[C@H]2C3)C1	2061608662	YRUVOORPBXEKRN-VSUJBEPISA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1CC(=C2CCC2)C1	2061736484	HKMOZFUNMVEDDO-CYBMUJFWSA-N	244.378	4.583	0	10	BJAE	
N[C@@H]1C[C@@H](CCC2CCCCC2)CC2(CCC2)C1	2063642916	RNEATLAIRSIVKH-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCC12CCCC1CCC2	2063903564	VWLYQBBHJXIRPZ-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CCCC2)C1)[C@H]1CCC1(C)C	2068347522	BZXDFOXPRZQDIA-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1(CC(=O)C2C[C@@H]3CC[C@H]3C2)CCC1	2071914348	BZGVPUBYWPLUDC-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CN(C1CCC(C(C)(C)C)CC1)[C@H]1CC=CCC1	2075229358	LZNVJEJDLSTNPY-PCKAHOCUSA-N	249.442	4.632	0	10	BJAE	
CCC[C@H]1CC[C@H](CN2CC=CCC2(C)C)CC1	2075339934	YTTIGKBLRCRKRZ-WKILWMFISA-N	249.442	4.633	0	10	BJAE	
C1=C[C@H](N2CCCCC23CCCCC3)CCCC1	2075409945	WSPXKBDJAHBRDG-INIZCTEOSA-N	247.426	4.674	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@H]2C[C@H]2C2CCCCCC2)C1	2082262871	XGBPHYAZVRVZBQ-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCCC(C)(C)C2)=C[C@H](N)C1	2082987972	SOEDDYLFBMNSRT-ZFWWWQNUSA-N	249.442	4.667	0	10	BJAE	
CC1(C)C[C@H](N[C@H]2CCCC23CCCC3)C1(C)C	2084441672	KTWMVIQMGVFZTH-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(Cl)ccc1NC[C@H](C)C(C)C	2212631125	KYFVKIJBLLMWBL-NSHDSACASA-N	239.790	4.606	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCCCCCCC1CC1	2213572322	USZZTWTWBSXGOY-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CCCCCCC1CC1	2213581332	VHYMOSAYUNNAHN-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](n2ccc3cccc(F)c32)C1	2214769819	SPFGEGIAGAIMOG-YPMHNXCESA-N	231.314	4.532	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC[C@H]1C[C@H]1CC	2215246026	INYNKNGJYUAQCJ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(N)(CC[C@H]2C[C@@H]2C)CC1	2215266781	SCYOPYONAHEBNO-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C(C)(C)C)[C@@]1(C)CC=C(C)CC1	2215811863	FVWGVPBWPLYSGL-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)NCC1([C@H](C)CC)CC(C)(CC)C1	2217141266	SFDOUSAQUCIDNX-WXLSXGNJSA-N	239.447	4.617	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218331050	IXMRWMKEUMBINY-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
C[C@@](N)(CC1CCC1)CC1C[C@H]2CCC[C@H](C1)C2	2218355537	DDUZCOLMGRKFSY-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(CC=Cc2ccccc2)c(F)c1C	2219073600	IQYKAJONMXDPFI-UHFFFAOYSA-N	240.321	4.698	0	10	BJAE	
Cc1cc(C)c([C@H](O)CCCCC2CC2)cc1C	2220028458	SKYMRKHVPUJAEK-QGZVFWFLSA-N	246.394	4.616	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@@H]1C(C)=CCC[C@@H]1C	2220048968	YHBGICZDQADXJT-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@](N)(CC2(C)CC3(CCC3)C2)CC[C@H]1C	2221036278	BFOKOAOTXTWLPU-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1CCC(C)CC1)[C@@]1(C)CC=C(C)CC1	2221621437	DNQJHIZPTLAEMQ-BNICSPFPSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2221642471	GACDWDMHWDBSMG-MPTYRVRUSA-N	246.394	4.518	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC2CCC2)CC=C(C)CC1	2223583954	LUNCJIJVPKLMDL-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCCc1ccc([C@@H](CCCC)NC)s1	2242605140	QIXNTLZSWIZGEB-CYBMUJFWSA-N	239.428	4.541	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2CC=CCC2)C1	2246660397	PNEADTTUSIKMSM-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC[C@@H]1CCC[C@H](C)C1	2246723889	BYTOXCKLVSQGOW-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](O)CCC(C)(C)C)C1	2246724157	CFVMRKRQPJSPOU-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC1CC2(CCCC2)C1	2246768614	BYBISIANYJYELY-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(CN[C@H](C)CC(C)(C)C)C(C)C	2248370867	MTYHVMPQGDWPFN-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNCCCC(C)(C)C	2248865380	ITKHIZFUGOFGEJ-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](C)C1CCCCCC1	2250391512	WYXLYLBJHXLKKH-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@](F)(CC[C@H](C)CCCC(C)C)[C@@H](C)N	2250482695	VXFOBJNBTBCGGO-KFWWJZLASA-N	245.426	4.695	0	10	BJAE	
CC(C)CCC[C@H](C)CCNC(C)(C)C(C)C	2250492605	WCNFCFAAPCXRQC-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@@]1(C)C[C@H]1F	2250512949	CCWMWLILUKAWNF-GUTXKFCHSA-N	242.378	4.546	0	10	BJAE	
CC(C)CCC[C@H](C)CCNC1(C)CCCC1	2250528058	LBPRRORUNIJWBN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@](C)(NCC[C@@H]1CCCCC12CC2)C1CC1	2253891478	PWWAQYMMDMCMEV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@H]1CCC12CCCCC2	2254504244	SMGGAPYDSOMOQJ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CCCC[C@H]2C[C@@H]2C)c1	2254589632	VTTRAROKOFXMIS-YQQAZPJKSA-N	246.394	4.553	0	10	BJAE	
Cc1cc(F)cc(C(=O)CCCC[C@@H]2C[C@@H]2C)c1	2254606236	FHELUHKBSWRADR-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
CC(C)C1(C[C@@H](N)C[C@@H]2CCCC23CC3)CCC1	2255229949	ZGRWPKYOIWNGGE-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C[C@H](N)CC[C@@H]2CCCC23CC3)C1	2255288674	QVUPEHVLWXSHIP-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@H](O)CCCC2CCC2)cc1	2256308145	AESSFUOZQDSJLW-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
C[C@](N)(CCCCCCC1CC1)[C@H]1CC12CCC2	2256491920	YMNDHIJYPPSZCS-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)[C@@]1(C)CC=CCC1	2257300135	DCFYSNSYQKNNJH-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](CC)CNCc1ccccc1C(C)C	2259463221	COWLDWSGICOPET-HNNXBMFYSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC1CC2(CC(C)C2)C1	2259575112	BJVKJCNFASFSQS-ONNPGMOUSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@]12CCC[C@@H]1CC2)C1(CC)CC1	2260606209	QFMPIBAXODUUIA-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@]23CCCC[C@H]2CC3)C1	2260656353	FUPITFSFZXUYQL-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)C[C@@]12CCCC[C@H]1CC2	2260678351	KUKYQLGLDQYBBK-LTIDMASMSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H](C)[C@H](N)c1cccc(C2CCCC2)c1	2260726998	JPUPIEABLLRJHG-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CC(C)(C)CC1CC(CC[C@@H](N)c2ccco2)C1	2261305582	ZNAGHWRHJQLIHK-JXQTWKCFSA-N	249.398	4.522	0	10	BJAE	
CC1(C)CCCCCN1[C@@H]1C=CCCCCC1	2298882067	KUFUIVJAWHFING-OAHLLOKOSA-N	235.415	4.530	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@@]1(C)C=CCC1	2300680500	FCYOVXMZXOBAPC-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCC1(N)C2CCCC1CCC2	2300703205	CMFDLFQKOAAKBF-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@](O)(CC2CCCCCC2)C1	2301136894	BSRWWGFZVANQMY-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N[C@H]1CCCCCC1(C)C	2301708467	UWBAEACUWMUUED-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
C[C@@](O)(CCCC1=CCCCC1)C1CCCC1	2302325473	HXIXRKZPKHPGNL-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@@H](O)C[C@H]2CCC(C)(C)C2)CCC1	2302714570	ZJAKWZPBULPCDL-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H]1CCC(C)(C)C1	2302716401	NNGIGUIEYJICOI-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1CC[C@@H]1C(C)(C)C	2303465942	RAIWHRFYIUVFAJ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@H](CNc2ccccc2C)CC1	2303591809	DRMKWALFWQZBAL-OAHLLOKOSA-N	229.367	4.543	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)C[C@@H]1C[C@H]1C	2307820531	ZGEPNHPZDHQYQD-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@@H](CC)CCC	2307896467	UVXVHSAWJNXDLW-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CO)CC12CCCCC2	2307898629	LRIBGKJSRZTULS-GOEBONIOSA-N	238.415	4.536	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CNCC(C)C)C(C)C	2307924758	FFXOGZHIIVJYID-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@@]12CCC[C@@H]1CC2	2313347566	YBXXRHSAVVHUCG-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
NC1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCCCCC1	2316874805	TUCGXKRJUZNNKF-HRCADAONSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1C[C@@H]2CC[C@H]1C2	2317929699	NPCHAENNWOUVKP-XUJVJEKNSA-N	247.357	4.550	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C[C@@]12CCC[C@@H]1CC2	2317978924	FPOKEVDYYPMNMR-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CC(C)(C)[C@@H]1C	2318187523	DCIWAFQIVFZASU-ABAIWWIYSA-N	249.373	4.796	0	10	BJAE	
CN(CCCC1=CCCCC1)C1(C)CCCCC1	2318591933	DBWAOQQBIOGPAT-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CCCC1=CCCCC1	2318592220	GQMSBTMEDNOFHC-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@H]1CCCC2(CC2)C1	2318883379	SMCFJYKULPHYSP-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H]1C1CC1)C(C)=C(C)C	2319548124	AHUCHUKIZZLJNO-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C([C@@H](N)[C@@H]2CC[C@H]2C(C)(C)C)CC1	2320219898	QPIYCAIQCXCDIL-RBSFLKMASA-N	249.442	4.523	0	10	BJAE	
CCc1ccc(NC[C@H]2CC[C@@H]2C(C)(C)C)cc1	2320239311	CNRPSUSXZBRUNN-ZBFHGGJFSA-N	245.410	4.733	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC[C@@H]2C(C)(C)C)cc1F	2320308703	ZPHBNVAGZGLMTQ-JSGCOSHPSA-N	249.373	4.618	0	10	BJAE	
CCc1occc1C(=O)C[C@H]1CCC(C)=C(C)C1	2320422031	FGAQFPZCCLTUMQ-ZDUSSCGKSA-N	246.350	4.551	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C[C@@H]1CC2(CC2)CN1	2321348126	DRQKFPWRMIFNIM-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(CN)CCCC23CC3)C1	2321640187	SFPMGMXFWDSLFD-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)CCC3(CCC3)C2)C1	2321648456	KEZWPMIQPPYYAA-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)CCCC(C)C)c1	2327697827	VCDQSMOMOKAPLY-QGZVFWFLSA-N	247.426	4.945	0	10	BJAE	
CC(C)(C)C1CCC([C@H]2CCCC(=O)C2)CC1	2514120	PRMNSDXWIAZOJO-MOKVOYLWSA-N	236.399	4.598	0	10	BJAE	
CCCCCCCCC=CCCCC(=O)O	2559935	AFGUVBVUFZMJMX-UHFFFAOYSA-N	226.360	4.548	0	10	BJAE	biogenic
Cc1ccc([C@@H](C)Nc2ccc(F)cc2C)cc1	21518788	BNHJJFKRAIBYFB-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
Cc1ccc2c(c1)sc1ccc(C)cc12	33950822	PUENKESSSKIEGY-UHFFFAOYSA-N	212.317	4.671	0	10	BJAE	
CCCCC[C@H](C)N[C@H](c1ccccc1)C(C)C	36967203	MSQDIXHURRATCR-RDJZCZTQSA-N	247.426	4.942	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)c1ccccc1	36974686	KNBJIRHDSGWEBG-AWEZNQCLSA-N	239.362	4.812	0	10	BJAE	
CCCCCN[C@@H](CC(C)(C)C)c1ccccc1	37128412	SRKHIZMUZAHXHV-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
C[C@H](S[C@H]1CCC[C@@H](C)C1)c1ccc(N)cc1	54689742	VAXYNJMBCHAZTD-XUJVJEKNSA-N	249.423	4.642	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@@H](CC)NCC	82443889	KAWOSGHQMXINNJ-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCCCCCSc1cccc(C(C)=O)c1	82761271	OVOFJLXKIBDJQX-UHFFFAOYSA-N	236.380	4.562	0	10	BJAE	
CC1=C2C=C(C(C)C)CC[C@H](C)[C@H]2CC1	85826917	HLXDFKWNOTZIEI-SMDDNHRTSA-N	204.357	4.725	0	10	BJAE	in-vitro
CCc1cccc(N[C@@H]2CCC[C@@H](C)CC2)c1	86879205	FAWDPGGICNYQDJ-UKRRQHHQSA-N	231.383	4.630	0	10	BJAE	
CCCCC[C@H](NCC)C1CCC(C)(C)CC1	87943043	RUHNSBOSQZRJMP-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc2oc([C@@H](O)C(C)(C)C)cc2c1	88072337	RQZKCMBNHAUUFS-OAHLLOKOSA-N	246.350	4.636	0	10	BJAE	
CC[C@@H](C)CC1(N)CCC(C(C)(C)CC)CC1	103930655	PFODPJCOQUHERJ-VQCLRJIVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)[C@@H](O)c1ccc([C@@H](C)CC)cc1	104044278	BKUHSENXJWDQAH-HEHGZKQESA-N	234.383	4.670	0	10	BJAE	
CCC(CC)[C@@H](C)NCc1c(C)cc(C)cc1C	104437273	WYWJXODKBDPFHG-OAHLLOKOSA-N	247.426	4.526	0	10	BJAE	
CCC(=O)CC[C@@H](CC)c1c(C)cc(C)cc1C	107532391	JOFFPLDXYQLBES-OAHLLOKOSA-N	246.394	4.865	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)c1c(C)cc(C)cc1C	109944727	GLBKAHZAMQNHNZ-HZPDHXFCSA-N	247.426	4.841	0	10	BJAE	
CC1CCC([C@@H](O)c2ccc(C(C)C)cc2)CC1	112886658	CLTFIZSHMQZJBF-PUJMQQBBSA-N	246.394	4.670	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccnc(Cl)c1	122653252	XYVJZKRQJOIYJW-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CCCCCOc1ccc([C@@H](C)CC)cc1	141265417	SNLSEIHEGKPJLT-ZDUSSCGKSA-N	220.356	4.769	0	10	BJAE	
O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCCCCCC1	158861480	XLTJNZZIAQDLAL-FVQBIDKESA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CNCC)C(C)(C)C	162297109	GASLEFSZBRGFMM-CABCVRRESA-N	241.463	4.865	0	10	BJAE	
CCCCCCC(=O)[C@H](CC)c1ccccc1	164721675	DKWSOUDOMKFYFR-OAHLLOKOSA-N	232.367	4.720	0	10	BJAE	
CCC[C@@](C)(CCCC(C)C)CNC(C)C	166077438	TUMWNWQCOKAKKH-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)CCC(C)(C)C	168127167	KBSXHUCOPBUBKH-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC[C@@H](Nc1c(C)cccc1F)c1ccccc1	224955938	DJFYCIAOUUKJLB-OAHLLOKOSA-N	243.325	4.697	0	10	BJAE	
CCCN[C@@H](c1ccsc1C)[C@H](C)CCC	227895831	DISYBASHWKJMMB-BXUZGUMPSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)CC1CCCC1	229160451	HNOFJQNSAYFXFQ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)c1cc(C)cc(C)c1	229489482	AGUMADMIWDKQIK-DYVFJYSZSA-N	247.426	4.780	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2ccc(F)c(C)c2)C1	235680512	WTASBFOSLXGKEW-RISCZKNCSA-N	247.357	4.538	0	10	BJAE	
N[C@H](C1=CCCCCCC1)C1CCCCCCC1	236294260	SLZBAJAKFCKCKR-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	253177372	AVVAUBCKXJLKMF-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
Cc1nc(-c2ccc3ccccc3c2)sc1C	259379960	RUKKMUIDCTWFEW-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CCCCCC[C@H](C[C@H](C)CC(C)C)NC	300871131	HORGIONLLXCFGX-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)c1cc(C)c(C)cc1C	302371395	ZCOPNKCIYPGBOR-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CC1CCCCC1	304378087	KHEYLJVCIVXFIS-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CC(C)(C)c2sc(-c3ccccc3)nc21	306015560	IWFFPLANELLYPB-SNVBAGLBSA-N	243.375	4.595	0	10	BJAE	
CCC1(C[C@@H](O)C[C@@H](C)CC(C)(C)C)CCC1	310542742	UAGJHYVZPULCGT-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C(=O)c2ccc(C3CCC3)cc2)CC1	310649674	XFIFKINRBUEURS-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)c1cc2ccccc2o1	311133902	DELQUJKBJQNCTK-CQSZACIVSA-N	246.350	4.539	0	10	BJAE	
CCCCCCC(=O)c1cc(C)ccc1Cl	313405304	ZZGCOTBQZIOFCC-UHFFFAOYSA-N	238.758	4.802	0	10	BJAE	
CCCNC[C@]1([C@H](C)CC)CCC[C@@H](CC)C1	318455252	QDSFTZCHDAMENX-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](c1c(C)cccc1C)[C@@H](C)C(C)C	319554544	JVFFUKJTZOWLOZ-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1(CC)CCC1)NCC	380107473	YUXIPHJWVQDJNK-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](O)c1ccc2ccccc2c1F	381516738	RFVITDATSQCJIF-OAHLLOKOSA-N	246.325	4.593	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(O)CCC1CCCCC1	383134404	XJTOKXVRUYNDLO-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CCCCC1)[C@H](C)CC	383943172	FHYSJHQUPGRXRR-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](O)CCC(C)(C)C)C1CCCCC1	384123306	HOURYNWZABQPMO-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)NC[C@@H]1CC[C@H]1CCC1=CCCCC1	384957640	MVWKEORMHJMXLP-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](CCC2=CCCCC2)NC)C1	385219988	RMRDJZHPRAKXDX-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC(C)C)c1ccc2sccc2c1	386379469	DDXMTAWWWSAOIC-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](CCC(C)C)C2CC2)c1	394143595	YAYRHPWXJGXMKS-INIZCTEOSA-N	245.410	4.930	0	10	BJAE	
CCCN[C@H](CC(C)(C)C1CC1)C1=CCCCC1	405893664	YQJUNKHKJIIWHE-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)CC1CCCCC1	689831187	BUXBZPRRXNJMKU-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCc1ccc(C(C)C)c(OC(C)(C)C)c1	694951162	ZLRKJINYCKNUBF-UHFFFAOYSA-N	220.356	4.550	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCCC(C)(C)CC1	697580129	RPCDWERSDUGZFB-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC=C(C)C)NCCC	697758974	NPRXALICUDUTAN-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
C[C@@H](NC1C(C)(C)CCC1(C)C)c1ccccc1	699610889	WAXOPOJPCBINJA-CYBMUJFWSA-N	245.410	4.552	0	10	BJAE	
CC(C)(C)CC(C)(C)N[C@@H]1CCC12CCCC2	703720682	GINSBLVWIGMLFQ-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
C1CCCC(CN[C@@H]2CC[C@@H]3CCC[C@H]32)CCC1	707841752	GYPCBGXPEHXNSG-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]([C@@H](C)CC(C)C)[C@H](C)CC(C)(C)C	708249284	MSIQHLCUYNLJHE-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CCN[C@@H](c1ccccc1C)[C@@H](C)CC(C)(C)C	708254281	JNQNXTMHAQPOGK-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@H](C)CC(C)(C)C	708297495	OHEDSKUQNLTGEI-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1C[C@H](N[C@@H]2CCC23CCCC3)CC(C)(C)C1	708788366	MPSMAPGPCQZEIA-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](C)(CNC1CC1)C[C@H](C)CC(C)(C)C	709109735	XIISWNRUZSQWAN-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)[C@H](C)CC(C)(C)C	709220645	PDXYVBMYVLTOOV-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
CCCCCCC(=O)[C@@H](C)CC(C)(C)C	709220646	PDXYVBMYVLTOOV-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
CC[C@H](N[C@H](C)[C@@]12CCCC[C@H]1C2)C1CCCC1	709246766	OEQWRAGEACPQHI-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(N)[C@]23CCCC[C@@H]2C3)C1	709270834	BTTVGYMMDFORHQ-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1Cc2nc([C@H](C)CC(C)(C)C)[nH]c2[C@H](C)C1	709277323	XQPVGAXSQRYRSF-QJPTWQEYSA-N	248.414	4.635	0	10	BJAE	
CC[C@H](Nc1csc(C)c1)c1ccccc1	710709007	FFJQNHCQWNJCGL-AWEZNQCLSA-N	231.364	4.620	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H](C(C)C)C2)cs1	710757029	BOTXGALJXJYRDA-CHWSQXEVSA-N	237.412	4.683	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCCCC12CCCC2	713128733	HMZIRDHQINXXGC-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C(C)C)C(C)(C)C	713172039	BVXRMEZHHNFMKK-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]3CCCC[C@H]32)CCCCC1	714258056	LXVHHICQBIPOPM-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@@H]1CC[C@@H]2C[C@@H]12	716902329	UXGDQSSUBIMPHG-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCC[C@@H](C)CC(F)F	718714836	HGXZRSZZQQHWIF-SNVBAGLBSA-N	204.304	4.804	0	10	BJAE	
CC1(C)CCCCC[C@H]1Nc1ccccc1F	719274890	HGLPYVFHCZRQLI-CQSZACIVSA-N	235.346	4.597	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1cccc(C(C)(C)C)c1	821962695	DLRNCLMILWYQKZ-CZUORRHYSA-N	247.426	4.681	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C1CCC2(CC1)CC2	829156700	SOJURUHYXABDKO-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(CSCC2CCCC2)c1	1307302259	BZZYWDUVKDWNSM-UHFFFAOYSA-N	234.408	4.727	0	10	BJAE	
c1ccc(C2CC2)c(CSCCC2CC2)c1	1613718064	CUKFREDIRGFQCT-UHFFFAOYSA-N	232.392	4.597	0	10	BJAE	
F[C@@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F	1615891322	RATKUOWARRQCNG-ZETCQYMHSA-N	247.018	4.566	0	10	BJAE	
CC(C)NC(C1CCCCC1)C1CCCCC1	1657876166	ABIRUUOIFIQOAQ-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCC[C@H](C)NCC[C@@H]1CC=CCC1	1659836904	VSDDSGBLGSSRTJ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCc1ccc(C)c(Cl)c1	1888065581	HFOQKVFKPVNNPH-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CCCC[C@@H](CCC=C(C)CC)NCCC	1900878753	SJVIOWDZGIEPQA-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1csc(C)c1C	1905445704	QZSAWIFRDXUSRG-TZMCWYRMSA-N	239.428	4.581	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C[C@@H]1C[C@H]1C	1909602787	QDFWFFAZJNJEAO-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1C[C@H]1C1CCC1	1910557167	DPUBTOVJZRRVSL-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
C1CCCC(N[C@H]2CCC3(CCCCC3)C2)CC1	1915863663	ANKOGQAPXYKSNA-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CCC2(CCCCC2)C1	1915907361	FKQYEIJFTNOVMO-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC[C@H]1CC1(C)C	1921417258	MWBWPOJQPYZYPR-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1C[C@H](CC[C@@H]2CC2(C)C)c2ccccc2N1	1921558019	LWROQQRRPUCYKD-HZSPNIEDSA-N	243.394	4.801	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H]1CCCC12CCC2	1921587955	ZYDIYASBTASMFH-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](NC1C[C@H]2CCC[C@H](C1)C2)C1CCCC1	1923486390	FLELFFMYDRFALT-ZQIUZPCESA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@](C)(C(=O)O)C1CCCCC1	1923894529	AVFPSUKTVSFGOY-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CCCNC[C@](C)(CC)C[C@@H]1C=CCCCC1	1925797369	DPFBHPXTSJLALJ-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
Cc1cccc(C[C@H]2C=CCCCC2)c1C	1925815543	XOCVPMICWLMPOF-HNNXBMFYSA-N	214.352	4.592	0	10	BJAE	
CCN[C@H](CCC(C)C)C[C@H]1C=CCCCC1	1925916111	RYQWXDVWNSFHEP-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@]1(C[C@@H]2C=CCCCC2)CCCCCN1	1925926384	HFNQCPLMXMMRJF-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1C=CCCCC1)NCC	1925935015	QWHFNZOEVZXDIJ-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1sccc1Cl	1928718523	NQJSVZPQRZEQJE-ONGXEEELSA-N	246.803	4.507	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](CC(C)C)C(C)C)s1	1936212771	RBLXJPLWVGPJAE-LBPRGKRZSA-N	238.396	4.558	0	10	BJAE	
CC(C)[C@H](C)NC1CCCCCCCCC1	1938721770	GRIQEAHJBHCMIP-AWEZNQCLSA-N	225.420	4.514	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CC2(C)CCCCC2)C1	1940397637	SCOVQCSGLPIUOL-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CC1CCC(C)(N)CC1)C1CCCCC1	1940840680	ZLBPJWMVDPJPQC-HLIUYOAVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@H](CCC[C@@H]1CC1(C)C)NC	1940879253	CAGSTZGTOSMBNE-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)(CCCCCC1CC1)C(C)(C)C	1941582635	YRKWRYACICMBKC-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)CCC(C)C	1941587579	UKABVVFVCNHVGD-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1(C)CC(C)(C)C1	1941985459	JRAQHBULOAAOON-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)CNC[C@@]1(C)C=CCCC1	1943137689	IXJNUZHJIPKVLA-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC1(CCC[C@H](O)C(C)(C)C2CCCC2)CC1	1944624231	XMOIYLULAVPFBT-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@](C)(O)CC1CCCCC1	1944892505	XBWKOEBRZLXNGG-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)[C@H]1CC1(C)C	1945822698	HLQCAEKUGCJGKU-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@H](N)CC1CCC(C(C)(C)C)CC1	1946686658	PYVPHPBQEDENBH-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2C=CCC2)cc1	1947559133	PDBBLNHHXRDLEU-KBPBESRZSA-N	230.351	4.545	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C[C@@H]1C=CCCC1	1947578450	XJWRHSFYRLGWPC-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@@H](N)C1CCCCCCC1	1949046200	YJHBGCSAVIMQAB-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@H]1CCC[C@@H](C)CC1	1950923152	DYZXXCQXQMAUCG-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CC2CCCCC2)CC1	1950929557	IAXIXTIFSZPTAC-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@H]1CCC[C@@H]1C(F)(F)F	1961406762	NZZKPKAQUUXIOZ-MNOVXSKESA-N	220.278	4.711	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C[C@@H](C)c1ccccc1	1962915578	XYVSVXSADLWBOR-CVEARBPZSA-N	247.426	4.547	0	10	BJAE	
Cc1ccc(NC2C[C@H]3CCCCC[C@@H]3C2)cc1	1968259846	LMFQRRSOLVPAFC-HUUCEWRRSA-N	243.394	4.766	0	10	BJAE	
CCC[C@@H](C)CN(CCC(C)C)CCC(C)C	1968283176	WFHHGYNINPZPME-MRXNPFEDSA-N	241.463	4.817	0	10	BJAE	
Cc1cc(O[C@@H]2CCC3(CCCC3)C2)ccc1F	1968617080	XGMBACLYPXHHPT-CQSZACIVSA-N	248.341	4.626	0	10	BJAE	
CC1(C)CCCC[C@H]1NC(CC1CC1)CC1CC1	1969956436	ZOAODPFDLRTBMP-MRXNPFEDSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1N[C@H]1CCC2(CCC2)C1	1971487224	FITJPBRYUGWRDU-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CN[C@@H]1C[C@H](C)c2ccccc21)C(C)C	1973383933	IDWZLQBWLCSQPM-JJRVBVJISA-N	245.410	4.507	0	10	BJAE	
CCCC(C)(C)C(=O)CCCCCC1CC1	1976007144	DNSSERRVEBNJJS-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](CC)CCC(C)C	1986971720	VMFWNRSZQKEUBB-CABCVRRESA-N	227.436	4.760	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H](C)CC(C)C	1990090009	UIUASZLRZIFTTC-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
CCC(C)(C)CCN(C)CCCC(C)(C)C	1990840814	KVUCWHFALZDWDW-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CCCC[C@@](C)(O)C[C@@H]1CCCC(C)(C)C1	1994036021	FCERTXKOCMVWBP-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)C[C@H](C)CC(C)(C)C)C1	1996237746	MKADGXBNVPNNQK-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC(C[C@@](C)(N)CCC2CC2)CC1	1996366355	SDMJGKVLOASZIW-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H](C)C1CC(C)(C)C1	1998647318	BGAPLGSYCZWFLI-CHWSQXEVSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](NC[C@@H]1CCC=CCCC1)c1ccsc1	1999995000	AEIFDKIDBCMJDI-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H](C)CC(C)C	2000189621	ZZHMVEROLSJUSQ-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CCC1(CC(CC)(CC)CNC2CC2)CCC1	2000510368	RSMHWLNBZDIREK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H]1[C@H]2CCCCC[C@H]21	2002211425	XDWTVDPXEBUPDZ-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(CNC(C)(C)CC(C)C)CC1	2002882397	LBKKJADRSLAAAN-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC1(F)CCCC1	2003070729	RABRXRXIGCLPQR-CYBMUJFWSA-N	240.362	4.588	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@H]1CCCCC(F)(F)C1	2003176551	RPZWTXHSZROTCB-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
C[C@H](C[C@@H](N)[C@]1(C)C=CCCC1)CC(C)(C)C	2003333362	CGUAZRDLCFOVKV-IIAWOOMASA-N	237.431	4.523	0	10	BJAE	
CCCC(CCC)CNC[C@@H]1CCC[C@@H](C)C1	2004711586	LMJMGSSLVGNZSW-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C[C@H](N[C@H](C)C1(C)CCCCC1)C1(C)CCC1	2004839667	JUIIBUOUTCNQSF-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCCCC12CCC2	2005565876	UXUKXALQNAEBHX-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC)CCCCC1(C)C	2005581645	AFGFXJPHBKYRHY-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CCNC[C@H]1CCCCC1(C)C	2005584923	ARYTWYIOSAYSHU-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C=C2CCCC2)CC1	2007920124	IKANUNGZFWWQKV-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
C/C=C/C[C@]1(CNCCC)CCCCC1(C)C	2008052890	CEVPCMGVZUEKRN-BIENSFFJSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H](C)CC(C)(C)C)CC1	2009404510	OCIUOUAYTRDAOY-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)CC[C@@H]1O)C(C)(C)C	2009420129	NEEPPKQWWZPPLZ-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCC[C@H]1CCCCCCCC[C@H]1N	2009628162	MLNTZQMIYXAOJL-TWTBHFKPSA-N	237.431	4.811	0	10	BJAE	
CCCCCC[C@@H](N)CC12CCC(CC1)CC2	2012816189	DIKSDMQTWFAIJO-HWOWSKLDSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@](CC)(CO)CC12CCC(CC1)C2	2012821375	XRJGUZWTXBBHTG-HWOWSKLDSA-N	238.415	4.536	0	10	BJAE	
CC(C)CCCC(=O)C(F)(F)C1CCCCC1	2012959807	XPRMQENXKSKHBJ-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1CCCCC12CC2	2013266630	IOWZYFKSTMYQLP-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1CCC1(C)C	2014845362	FBPONTVMHCSKJO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@H]1C[C@H](C)C(C)C	2015409053	NSUGLBAOQRWTAZ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CSc2ccc(N)cc2C)CCC1	2015641588	GWJUEMJFCPIKNJ-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCCC1(C[C@]2(N)CCC=CCCC2)CCC1	2015649284	YBFICSMXMSWIOS-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@]2(C)C[C@H]2C)CCCC1	2016442461	NQWGUFQLCHBDKT-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)[C@H](N)C1CC(C)(C)CC(C)(C)C1	2017473373	SCPBVGOVVYZANI-AWEZNQCLSA-N	237.431	4.523	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CCC(C)(F)F)CC1	2017777663	IPUKCNGWSBZOQX-HAQNSBGRSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)[C@](C)(N)[C@@H]1CCC2(CCCC2)C1	2017805335	CUPVDKLRATWXGD-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)NCCC[C@H]1CC1(C)C	2018131750	PSMIYVFDNFWENE-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](N)(CC)CC1CC(=C2CC2)C1	2018138207	DDSXMFSTXPWUMZ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](C)[C@H]1CC1(C)C	2019192978	VMFWXOXGNBRRGU-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
CCCC1(CC[C@@]2(C)CNC(C)(C)C2)CCC1	2022142087	QTKMNBPTRKKHJA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C[C@H]2CCC[C@H]1C2	2026245234	UDHHWEJOFCZLNT-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCCNC1(C2CCCCC2)CC1	2027839136	GCKYMWHHTTUINJ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@@H]1CCC12CCCCC2	2027839879	MDIHXLUEXFYQIV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C1CCC2(CC1)CC2	2028624661	BIGIWSRFAFETMT-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCCC1CCC1)c1ccc(C2CC2)cc1	2029079023	SRHVJSLNINNVSV-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@H]1CC(C)(C)CC2(CC2)C1	2030289419	YLDAGDPTEFZSEN-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@@]23CCCC[C@H]2CCC3)C1	2031807905	IFVGHBMZTQGCJG-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@H]2CCC(C)(C)C2)c1	2033391327	ZKDYGPILVIJMSV-JKSUJKDBSA-N	245.410	4.636	0	10	BJAE	
CCC1(CC(=O)C23CCC(CC2)C3(C)C)CCC1	2033436008	YNRZQRHXRNYVEE-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1CCC(NC[C@@H]2C=CCCC2)CC1	2035565025	QTSRADHJEJTIBV-QQFBHYJXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](N)(CC[C@@H]1C[C@@H]1C1CC1)C1CCCC1	2037127672	CFHPBCOUXOQUAL-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CC(C)CNCCC=C[C@H]1CCC2(CCCC2)C1	2037695310	RHUVERHTMIFBOJ-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
C1CCC(CC[C@H]2CNC3(CCCCC3)C2)CC1	2037720032	FEFREAIZXOAGJO-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC1(CCN[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2038621321	FZLVKJALHIVYRH-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@H]1CC12CCCCC2	2038998757	FHRXYTYFSKMVSG-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NC1CC2(CC2)C1)C1CCC(C)(C)CC1	2040684022	PFFKRHXWLLVLKQ-OAHLLOKOSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H](C)c2ccoc2)CC1	2041500032	RPXNMUSLELJIRB-SQWLQELKSA-N	249.398	4.679	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)C1(C)CC=CC1	2042027970	RWMJDMWAKPVDFP-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1NC[C@@]1(C)CC=CCC1	2042069563	LAGLFFAEUUWTCO-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CCC1CCC1	2042743033	QHIICNYMLKLQBB-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)C[C@H]1CC12CC2	2045982528	TZINTRSOGBURRU-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC1CC([C@]2(CNC(C)(C)C)CC=CCC2)C1	2048630695	NAIWKSQRNUYYOQ-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@@H]2CCCC23CC3)CC1	2049414625	JECUKEJKELJTJY-PRLABOORSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C[C@@H]2CC23CCCC3)C1	2049564002	MGNWWHHBRJMVAR-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C[C@H]1CCCC2(CC2)C1)C1CCCCC1	2049852618	CHIBCDSZEIFHJV-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CC(CC)C1)[C@]1(C)C=CCCC1	2049999477	DCQVGYQBKGPQEM-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)[C@@]1(C)C=CCC1	2050006297	MCEWXEVNAWXLBG-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H](N[C@H](C)C1(C)CCC1)c1ccccc1	2052348570	LDUMPWBKGCSMLJ-ZBFHGGJFSA-N	245.410	4.552	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@@H]1CCCCC12CCC2	2053361049	WNCWHEGAAMYZOS-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCCC12CC2	2053434434	SARZJAJVPORSRI-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1=CCCC1)C1(C)CCC(C)(C)CC1	2056555827	AYBOASHSBNCPDH-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@]12CCCC[C@@H]1C2	2059256500	PNBJPXODUQRFKG-HCGXZRIXSA-N	249.442	4.681	0	10	BJAE	
CSc1cc(Cl)cc(Cl)c1C(F)F	2060073250	MVEHPMPWGZHYPL-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
C[C@H]1CC=C([C@@]2(O)CCCC23CCCCC3)CC1	2060920385	DPCYCLJRAQQPNX-YOEHRIQHSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC=C([C@H](NC)C2(CC)CCCC2)CC1	2061149209	BALRUCQSHJXWTA-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CC[C@@]23CCC[C@H]2C3)C1	2061574024	CNBDJHCOAOWOTI-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)CC[C@]12CCC[C@@H]1C2	2061603178	RQOGIGVOZYBUAA-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@H](C)[C@@H](C)CC1CC(=C2CCC2)C1	2061667503	IMIDHOVECOQYRA-KBPBESRZSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CN[C@@H]2CCCCCC23CC3)C1	2062009002	KCBLHPYBNLIRAH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)CC1=CCCCC1	2062645509	GBYKTMBFZIHRKK-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC23CCCC2CCC3)C1	2063905954	RASVGUWSOYTPAF-XNIRIUNOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC12CC(NCC1CCCCCCC1)C2	2064110293	ZUGUJHLJPYYHPY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1CC(N)(C1CCCC1)C1CCCC1	2065935780	OQQMLSDEXWBWGG-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)c1cccc(C)c1	2065990593	PBXPBCQCYAEAHS-NVXWUHKLSA-N	247.426	4.860	0	10	BJAE	
CC1(C)CCC(C(=O)CC2C[C@H]3CC[C@@H]3C2)CC1	2068703808	NPZFCNZKGLUMJO-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCCCC23CC3)CCC1	2069339266	HETJBHIXYKSOFI-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@H](N)C[C@@H]2CCC[C@@H]3C[C@@H]23)CCC1	2069340375	UJPCTHNAQUBMMC-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C2(CC3CC3)CCC2)C1	2069504255	XPPMAEKVGROPKL-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](CNC23CCC(CC2)CC3)CC1	2072796986	UYEOSHWEWXNKAY-WXFZTKORSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CC[C@@H](CCN)C2)CC1	2072810213	UPHRGVZHYPQQAD-JYJNAYRXSA-N	249.442	4.668	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(C2(C)CC2)cc1	2072825345	VBMCJMWXDWUSMH-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)[C@@H]2CCCC3(CC3)C2)C1	2073774785	GPFKFHZKISITMV-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C=C1CCNC2(CCCCC2)C1	2074131931	FLJSEJVXZVWAQI-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@H]2CCCCC23CC3)C1	2074891148	FFRAGVADNLGPPO-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CC[C@H]1C1CCCCC1	2074898854	GKTKZPIQKJTTQD-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
c1ccc(C2CC2)c(NC[C@@]23CCCC[C@H]2C3)c1	2077263256	OVZHPVZOLSZBDX-YOEHRIQHSA-N	241.378	4.556	0	10	BJAE	
CCCCc1ccc(-c2cc(C)cc(O)c2)cc1	2077926818	FMRJNGVGQYJXMO-UHFFFAOYSA-N	240.346	4.710	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCCC1)[C@H]1C[C@@H]1CC	2079222089	VPQVOMUDZMDAPT-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H]1C[C@@H]1C1CCCCC1	2079434913	KFSZDZKXVQSZSH-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@H]1C[C@@H]1C1CCCCCC1	2079481016	AVMYWTNCJWQDIW-BMFZPTHFSA-N	246.394	4.518	0	10	BJAE	
C[C@H](CCC1CC1)N[C@H]1C[C@@H]1C1CCCCCC1	2079528412	KQCULCARIJTGPG-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CC1CCC1)C[C@@H]1C[C@@H]1C1CCCCCC1	2079629939	UTBXJWNKOVJJEE-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN1CCCC12CCCCCC2	2079900819	TZDHGRPVHZDFAV-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC1(c2cccc(NCC(F)=C3CCC3)c2)CC1	2081676115	HJGNIUKKRBOCGJ-UHFFFAOYSA-N	245.341	4.558	0	10	BJAE	
CCN[C@H](CC)c1cccc([C@@H]2C[C@@H]2C(C)C)c1	2082714715	GWQCJUPQGMSPNG-IXDOHACOSA-N	245.410	4.507	0	10	BJAE	
CCC[C@@H](C)CCNCc1cc(C)cc(C)c1C	2082907926	OSYFPPRTHJORBW-CYBMUJFWSA-N	247.426	4.528	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)CC[C@H]2C2CCC2)C1	2082978488	HKCWLIVWMBFOGP-QRTARXTBSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@H](N)[C@@H](C[C@@H]2CCCC(C)(C)C2)CC1	2082984192	YTRFAOPKVKQDSC-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
CC(=CC1CC(C)(C)CC(C)(C)C1)[C@@H]1CCCN1	2082984389	ALTHQTDIGUCSPL-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1scc(C)c1C	2210579165	VEMJRNXDLITHCJ-LBPRGKRZSA-N	240.412	4.615	0	10	BJAE	
CCC[C@@](C)(CCC(C)C)CN[C@H](C)CC	2212591903	GFBCAHMNFWEVFD-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](NCCCCCCC1CC1)C1CC1	2213575474	GGHSOCBXWVZJCR-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Fc1cc(Cl)ccc1C/C=C/c1ccccc1	2213824416	GNCPGQZLQLOOFI-QPJJXVBHSA-N	246.712	4.735	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCCCC1CC1	2214583514	QWDCZJMTOQTUKU-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC[C@H]1C[C@H]1C)NCC	2215300899	MGZXOQCXRRBXFP-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC[C@H]2C[C@@H]2CC)C1	2215323274	CRCXKXHNPABXBB-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@@H](C)C(C)(C)C)CC1	2215818666	WXACTUZILGVCOE-FMKPAKJESA-N	237.431	4.523	0	10	BJAE	
CC(C)[C@H](C)[C@H](N)CCCCCCCC1CC1	2216880009	PQWRHQMPDGPHCT-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
NC1CCC(CCCCCCCC2CC2)CC1	2216880407	VCPPPEGJRVRWNM-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)C)CC(C)(C)CC	2217139515	SPQJXFIIUMBVSI-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@H]1C1CCCC1)C1CCCCC1	2220297409	WCIHIOHBTWRFBO-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CCC(C)(C)C2CC2)CC1	2221618047	FPCNQTGACWRITQ-RDJZCZTQSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC(C)C)c1ccc2occc2c1	2224145233	VIHPSSVYNPPDEG-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
Cc1cc(-c2cc3sccc3s2)ccc1O	2246027682	NHDCILXDILKFKD-UHFFFAOYSA-N	246.356	4.644	0	10	BJAE	
CCC[C@@H](NCC1=CCCCC1)c1cccs1	2247489094	BEMAPFCUBSGWFL-CQSZACIVSA-N	249.423	4.679	0	10	BJAE	
C[C@H](C(=O)CC[C@H]1CCCC12CC2)C(C)(C)C	2247644513	ZBOMBZMWITVZOV-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C[C@@H]1CCCC12CC2	2247664992	LJOVOMJVLRTMPZ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](O)CCCCC[C@H]1C[C@@H]1C	2248881347	YCWKAPLFKZXQCO-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)C1CCC(CC)CC1	2250367262	PEXGRKQMZZHDEQ-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)[C@]1(C)CCN1	2250528759	NTAMJOFRZQFUDA-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)n(CC2CC(CC(C)(C)C)C2)c1	2251611556	ZGYPLIJDKANYBY-UHFFFAOYSA-N	233.399	4.567	0	10	BJAE	
CCC1CCC(C(=O)CCC2CC(C)C2)CC1	2251760248	AIVHCRGJLFJLHV-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCC2CC(C)C2)C1	2251764331	BHEYRUDYYJXGJB-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H](CC)C(F)F)cc1	2253074051	QUIFOPCPKSZDKJ-GWCFXTLKSA-N	242.309	4.623	0	10	BJAE	
CC1CC(C)(C[C@@]2(N)C[C@@H]3CCCCC[C@@H]3C2)C1	2253682780	INAQZTQTXHOZGL-IKIPUTRUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](N)CC[C@H]1CCCCC12CC2	2253854876	MNLZAOJCVXCSRV-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C12CCCC1CCC2	2254569874	SZKQMXUIHSRIMZ-LXTOLFJKSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCCC[C@H]2C[C@@H]2C)c1	2254606458	FXALIPXGHKOBMA-YQQAZPJKSA-N	245.410	4.520	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CCC2(C)C)CC=CCC1	2255012657	JHULPMYXJQGDMD-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCC1CC([C@@H](N)CC[C@@H]2CCCC23CC3)C1	2255274975	DTOGQSZGLUGWIH-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C[C@H](N)CC[C@H]2CCCC23CC3)C1	2255288673	QVUPEHVLWXSHIP-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@@H]2CCCC23CC3)C1	2255328921	KOQSBRDJUFWYPQ-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CNCC2(CC2)C1	2259679056	QFSXVNQLHKWORX-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@]12CCCC[C@@H]1CC2	2260501007	NNNHEWIHNMGRHV-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](NC[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2260538791	LUSQMMGKGBENLI-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
F[C@@H]1CCC[C@@H]1Nc1cccc(C2CCCC2)c1	2260716403	NUHSUJZFWFLHGE-CVEARBPZSA-N	247.357	4.647	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H](C)CC1CCC1	2298909333	XJDPOPPOBDOXBA-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1CC(C(C)(C)C)C1	2300680104	AAEWBDNYVSWQJS-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CCC(=O)C[C@H]1CCC12CCC2	2300688470	NPSDNWZWDUBWDC-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H]1CC[C@@H]1CC=C(C)CCCC(C)C	2300916459	NYDAVLWZONHUQK-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](C[C@](C)(N)C2CCCCC2)C1	2302751483	TZDXCLOSZQUWFZ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CNCC)C[C@H]1CCC(C)(C)C1	2302871151	HJGPMXGTSQRXKP-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CCC(C)(C)C)CC1	2303577528	NJSYCVAJYSAWOH-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](CC)CC1(CNC2CCC2)CCC1	2307842248	IGMIHMZBICHKOL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(O)CCCC12CCCC2	2307879132	QHWPFUUEOMRRRR-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)C[C@@]23CCC[C@@H]2C3)C1	2310889918	WAJJHIMOYNBVKR-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1N[C@@H]1C[C@H]1C1CCCC1	2311537477	QBQLYFQOSMQSQJ-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@@]12CCCC[C@@H]1CC2	2313307922	TZQXEBAOJVZNSM-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C[C@H]1[C@@H](C)[C@H]1C	2317973064	BZQJPDJAAPOREB-FSDCSDTHSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1[C@H](C(=O)C[C@H]2CCCCC23CC3)CC1(C)C	2318249226	VUPAUCWZNQWDTA-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@]12C=C[C@@H](CC1)C2	2318560421	HNXBILBOSFMERY-RDJZCZTQSA-N	244.378	4.583	0	10	BJAE	
C[C@@]1([C@@H](O)CCCC2=CCCCC2)C=CCCC1	2318581005	RLNVGYLFDWQJBB-DLBZAZTESA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@@H]1CCC12CCC2	2320219598	MZHVEXKBSKTIOG-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC2(CNCC(C)C)CC2)CC1	2320326600	GOEGVGAODWFASI-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)[C@@H]2C[C@H]2CC(C)C)CC1	2320393361	DYXGCSIGYGMZJV-YLFCFFPRSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)[C@@H](C)CCC2CC2)CC1	2320395835	XLZCYMSIZOBODT-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@@H]2C=CCCC2)c1	2320578329	PZGCCTQYBSITHV-RHSMWYFYSA-N	244.378	4.590	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cccc(C2CCC2)c1	2320650540	SLTHJGRGPAEQCM-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@H](C)C(C)(C)C)c1	2327708622	QOAHYTBRGSLPRV-BBRMVZONSA-N	248.410	4.834	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)C2(C(C)C)CC2)c1	2327789447	KDDKBIHCHDLATP-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)c2ccccc2C)c1	20553127	MAYXQLOGVSHXAO-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CC(C)c1ccc([C@H](N)C2CCC2)c(C(C)C)c1	21039394	AZDRWBQZGCWHBQ-QGZVFWFLSA-N	245.410	4.733	0	10	BJAE	
C[C@H](CNc1ccc(Cl)cc1)c1ccccc1	21501148	SQAKPCXHTFVZJX-GFCCVEGCSA-N	245.753	4.556	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc(CC)c1	21815803	BIXHNDVLTIDMEW-CYBMUJFWSA-N	219.372	4.630	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1cc(C)ccc1C	36939951	FGFXLVZCGDTAIK-CQSZACIVSA-N	232.367	4.703	0	10	BJAE	
CC[C@@H](C)c1ccc2nc(C)cc(Cl)c2c1	37413122	BYTIPLAONXUPEV-SECBINFHSA-N	233.742	4.710	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(C)cc2C)C1	71104436	VCBDYDJSMHODBC-HUUCEWRRSA-N	231.383	4.684	0	10	BJAE	
CCCN[C@H](c1ccco1)C1CCCCCCC1	86579459	HULNNQLIUBCCOA-INIZCTEOSA-N	249.398	4.681	0	10	BJAE	
Cc1ccccc1C(=O)C1CCC(C(C)C)CC1	87959813	IRYNLIJDSAWBKL-UHFFFAOYSA-N	244.378	4.640	0	10	BJAE	
CCC[C@@H](O)c1cc2cccc(C(C)(C)C)c2o1	88072433	WYUPWHPBFFFIOF-CYBMUJFWSA-N	246.350	4.564	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1CCC(C)CC1	111746078	KOKFYORTMWHRBL-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CCc1cc(Cl)c(CC)c(CC)c1Cl	137231877	LKAJOLKMSLGVPL-UHFFFAOYSA-N	231.166	4.681	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@@H](CC)c1ccccc1	158617928	SSPNIHWLLWYJLS-IRXDYDNUSA-N	247.426	4.595	0	10	BJAE	
CCCCCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	164763602	IGJRIUUTKQFPFT-RRFJBIMHSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1CC[C@H](CNC(C)(C)C)[C@@H](CC)C1	219549342	GANSOGJSCAIANL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](O)c2cccc(C)c2C)C1	226984074	CRUIOQJZRLHKIV-ZMSDIMECSA-N	246.394	4.553	0	10	BJAE	
CCc1cccc(C(=O)C[C@@H](C)C(C)(C)C)c1	229264318	BGVMRUHZGWFGRV-GFCCVEGCSA-N	232.367	4.504	0	10	BJAE	
CSc1ccccc1N[C@@H]1CC(C)(C)C[C@@H]1C	235070864	UKSKOHUPRPOPSE-WCQYABFASA-N	249.423	4.645	0	10	BJAE	
CC[C@@H]1[C@H](O)[C@H]2CCCCCCCCCC[C@H]12	251717946	RRZWBPBDTAGFHB-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@H]1CCCCC[C@H]1CNC(C)(C)C	251954141	UWVIUTPGXYMMBH-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1N[C@H]1CCC[C@@H](C)CC1	252217671	YDYDOGFSBRJUGL-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](c2cccc(C(C)(C)N)c2)C1	258326067	LOQUQLPECSHOPU-CQSZACIVSA-N	245.410	4.564	0	10	BJAE	
CCC[C@@H](C)[C@H](CNC(C)C)C1=CCCCC1	300469432	RWFQINDKGOVUBD-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H](C)CC(C)C	300864121	GUBJDMORYCCPFQ-QLFBSQMISA-N	227.436	4.602	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)c1ccsc1	300951931	XIWMWBKRRFYXLE-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)c1cccc(C)c1	302439718	TYSNVNLBAGAWCE-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1cccc(CCC)c1	302447800	UVHFEUUWESWTQU-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)CCC1CCCCC1	305905378	CNNKHCXFDZCGOP-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@](C)(C[C@H](C)CC(C)C)C(C)C	305971764	PYCUZCCTQJOCNG-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H]1CCCC(F)(F)C1	305997286	MZNGATPIGHWGAM-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CSc1c(C)ccc2scc(Cl)c12	307353194	OGXKLGRXSUGGSP-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CCC1=CCCCC1	308019707	IWPBLHANNOSJBD-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)CCC1=CCCCC1	308019708	IWPBLHANNOSJBD-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CCC1CCCCC1	308037680	WGBRQTGRWOAYOY-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)c1cc(C)cc(C)c1	308061662	SQUMHCIVEIQDHC-RDJZCZTQSA-N	247.426	4.766	0	10	BJAE	
CC(C)C[C@@H](C)Cn1ccc2cc(Cl)ccc21	309990155	JVWGOGVNRGVPEH-GFCCVEGCSA-N	249.785	4.977	0	10	BJAE	
CCCC1([C@H](C[C@H](C)CC(C)C)NCC)CC1	310265553	HFQLHMFQZACJDF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2CCC2(C)C)CC1	310401228	UOSWFJFNQNPOAH-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](CCCC1CCC(C)CC1)NCC	310542696	TYTMBIIGEWRXKO-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
Fc1cccc2c1ccn2[C@@H]1C=CCCCCC1	310659931	UDGBBJWECUDVJW-CYBMUJFWSA-N	243.325	4.842	0	10	BJAE	
CCCc1ccc([C@H](O)C(C(C)C)C(C)C)cc1	310829659	GGQRSUQRQCQVEB-KRWDZBQOSA-N	248.410	4.601	0	10	BJAE	
CCc1cccc2ccn(CC3(C)CCCC3)c12	311211807	LHLZWZGUUZBXGJ-UHFFFAOYSA-N	241.378	4.784	0	10	BJAE	
C[C@@H](CCNC(C)(C)C(C)(C)C)c1ccccc1	311231961	UBJSZUBOLFXCJG-AWEZNQCLSA-N	247.426	4.595	0	10	BJAE	
CN[C@H](CCC(C)C)CC1CCC(C)(C)CC1	379850648	DSDJKTDSTKXNAG-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C)NC(C1CCC1)C1CCC1	383876205	IQECQEYBNMDOES-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)c1cc2ccccc2s1	384070523	QTAJMNIFUDCJCB-NHYWBVRUSA-N	247.407	4.583	0	10	BJAE	
CCCc1ccccc1-c1ccc(Cl)c(O)c1	384518484	WGFZVUDDNZWIAO-UHFFFAOYSA-N	246.737	4.665	0	10	BJAE	
C[C@@H]1CC[C@H](n2ccc3ccc(F)cc32)C[C@H]1C	384621943	RIMKJBBAJMYNAR-JMSVASOKSA-N	245.341	4.778	0	10	BJAE	
CC/C=C\CN[C@@H](c1cccs1)C1CCCC1	384761101	QEBPRASGWVITGE-OMVNSRBRSA-N	249.423	4.535	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H]1CCCC[C@H]1C	385061314	UUQRAAWFBJRNFU-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
CC1(C[C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCCC1	386054530	WBFOQYGBHZBXGI-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2cccc(C(F)F)c2)C1	386199218	RGMYGCVITILBJC-JQWIXIFHSA-N	239.309	4.615	0	10	BJAE	
CCc1ccccc1[C@@H](O)CCC1=CCCCC1	395119992	GELGHVGWBAQVCX-KRWDZBQOSA-N	244.378	4.563	0	10	BJAE	
CCC(CC)(CC)CNc1ccc2[nH]ccc2c1	395161099	JDTXCKJGYWQVJI-UHFFFAOYSA-N	244.382	4.796	0	10	BJAE	
CCc1csc2c(C)c(C(F)(F)F)ccc12	396293978	BKULLZHKMHWTBJ-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1sc2cc(S)ccc2c1C(F)(F)F	396312299	WVRQPZKPRHSAQV-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@@H](C)C2CCC2)cc1	398517361	KRGQZZVQTBALMC-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H](C)C2CCC2)C1	398727481	UOYHNANQMKOMJK-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1CC=CCC1	402153211	OSINUHLNSISDOR-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CCCc1ccccc1NCCC(C)(C)C1CC1	406118294	PYWQYABFZLDGNT-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC(C)(C)c1ccccc1	686658172	PSXOEFPWWFSSSU-QGZVFWFLSA-N	248.410	4.542	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)C1(C)CCCC1	688418578	PJKYGOQJDBDMOS-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1cccc(C(C)C)c1	688951765	ZTRFODNMFCGKIM-BBRMVZONSA-N	233.399	4.507	0	10	BJAE	
C[C@H](CC1CCCC1)NC1CCC(C)(C)CC1	689811585	ZMERAXNPFYHOGX-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(-c2cccc(C3CCC3)c2)c1N	690422590	SSEPJCNRWUZLBB-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCC(CC)CN[C@H]1CCCCC[C@@H]1C(C)C	691164488	IJGAFINHFHPDMZ-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCC1(C)CCCC1	691169097	DDTYOOTWXARVMA-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H](C)C1CCC1	692814024	SIGNUUNAOOUFEC-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@@]12CCCC[C@@H]1C2	693209673	ACFZNFNGCHHUQE-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)NCCCC1CCCCC1	694059135	HUEGYZXDNFTJES-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)CCN[C@H]1CCCCC[C@H]1C(C)C	696216604	SNSIFFVTXOZDCV-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(CCC(C)(C)CC)[C@H]1CC1(C)C	696726338	IWSLBERXYPRVSY-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCC(C)(C)CC)C1	696752145	XCASFEGFBCHYBQ-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1)C(C)(CC)CC	701207334	UWCINOSJHWUBMI-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
C[C@H](CC(=O)C1CCCCCCC1)CC(F)F	701469430	SUHISWANJWDBHD-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(O)CCC12CCCCC2	703753010	PJYNSMMMKLISFM-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)[C@@H](C)CC(C)C)c1C	704738483	GHVUFJRNQXBVJE-GUYCJALGSA-N	248.410	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@H]2CCCC[C@H]2C)CC1	704834358	XHHRSBWSWVMLOZ-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CCCC[C@H]3C)c12	704974812	DQPPOCGEUKEXOR-CZUORRHYSA-N	241.378	4.955	0	10	BJAE	
CCC1CCC([C@]2(N)CCC23CCCCC3)CC1	705264395	GHZYDJIXTDBSQD-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CC[C@@H]2CCC[C@H]21	707752571	AVLHILYIDATLCV-USXIJHARSA-N	241.378	4.555	0	10	BJAE	
CCCc1cccc([C@@H](NC)[C@@H](C)CC(C)C)c1	708299641	ZXOGISKAOKIOJG-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
C[C@H](C[C@@H]1CNc2ccccc2C1)CC(C)(C)C	709155422	MUQUTTMXEOTOPT-KGLIPLIRSA-N	245.410	4.733	0	10	BJAE	
Cc1ccc([C@H](C)NC[C@@H](C)CC(C)(C)C)cc1	709188582	NYLPVCUOLBFHQL-GJZGRUSLSA-N	247.426	4.718	0	10	BJAE	
C[C@H](CC(=O)[C@@]12CCCC[C@@H]1C2)CC(C)(C)C	709210369	HPXZYFBNNPOTDL-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
CCc1cc(Cl)c2cc(C3CCC3)ccc2n1	709832603	SYRMYPPJVNCKPY-UHFFFAOYSA-N	245.753	4.718	0	10	BJAE	
CCC1CCC(NC[C@@H]2CCCC3(CC3)C2)CC1	709977511	MMEBELQFXYAOSJ-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
Nc1cc(Cl)ccc1-c1ccc(C2CC2)s1	716589108	JJKPSFRAUSEUJQ-UHFFFAOYSA-N	249.766	4.528	0	10	BJAE	
CCCCCC[C@]1(O)CC[C@@H]2CCCC[C@H]2C1	723649056	XYYUILAMOWIBNV-JYJNAYRXSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCCC(F)(F)C1	1258432433	QLGVXPHXPGYPJH-CHWSQXEVSA-N	247.373	4.513	0	10	BJAE	
C1=C(CCN(C2CCCCC2)C2CC2)CCCC1	1473121347	PHIKEPUYXVUXDG-UHFFFAOYSA-N	247.426	4.674	0	10	BJAE	
CCCCCN(C[C@H](C)CC(C)C)C(C)C	1657224011	IPQBGVLWWUTNMC-OAHLLOKOSA-N	227.436	4.569	0	10	BJAE	
CCC(CC)CC[C@@H](C)CCNC(C)(C)C	1900711666	FZXHSTNPCNDQLI-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCC(C)=CCC(=O)C1(C)CCC(C)CC1	1900883896	STYCNYDNHCSRNM-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)[C@@H](C)C(C)C	1901668528	RGMRCPXKEUBPHX-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CC(C)CCCc1cc(F)ccc1C(F)F	1901885517	WQCNVWOWNRCODX-UHFFFAOYSA-N	230.273	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1NC1CCCCCCC1	1907595579	CIJRKJIYDPXYHV-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@]12CCCC[C@@H]1C2	1909892197	JNIKGKGXUQDMNW-PMPSAXMXSA-N	237.431	4.502	0	10	BJAE	
CC=C[C@@H](C)Cc1cc(CC)ccc1CC	1911813252	RZXRMFXFHYEWGD-CYBMUJFWSA-N	216.368	4.566	0	10	BJAE	
CCC=CCN[C@H]1CCCC[C@@H]1C1CCCCC1	1911836987	ZUIMIKJVLLQDTA-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCNCCC=C(C)C[C@@H](C)C1CCCCC1	1912038478	MIDRIDINGLLZEP-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC(=C[C@H](C)C1CCCCC1)CNC(C)(C)C	1912093109	GAFUQSNJPQXWBG-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@@H](C)c1ccc(OCCC)cc1	1912110290	FNZSZPSJWUGQJR-CYBMUJFWSA-N	218.340	4.545	0	10	BJAE	
CCCc1ccccc1NC1CC2(CCCC2)C1	1912727566	TZIFLFUQNMMYOY-UHFFFAOYSA-N	243.394	4.774	0	10	BJAE	
CC(C)(CNC1CC2(CCCCC2)C1)C1CCC1	1912731460	XVXNNWLOLMHOGA-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@@]1(CCC2CCCC2)C=CCCC1	1916602088	HVJZUEQHOHDERA-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H]1C1(O)CCCCCCCCCCC1	1919621057	QFQHOKIYOXFRNO-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H](C)CCC(C)C	1919986404	HWTIKBDMNWHGLB-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CCCc1ccccc1	1920206294	LRVDQURXGKAIGF-DOTOQJQBSA-N	247.426	4.553	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](O)CC1(C)CCCCC1	1923888358	RFQASTYHMQURHN-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]([C@H](C)C1CCCC1)C(C)(C)CC	1924096316	BZCSMVHUHIZIPU-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)[C@H](C)C2CCCCC2)cc1F	1924099699	SIWLKOCRWDIMDE-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H](C)C1CCCCC1	1924103016	ACLWBRYCYCADMG-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@@H]2[C@@H](CN)CCCC23CCC3)CCCC1	1924835844	FZGYLCGVKDUTNQ-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CCc1ccccc1C(=O)C[C@H]1C=CCCCC1	1925764725	CRYNMMJPYQRJAB-AWEZNQCLSA-N	242.362	4.568	0	10	BJAE	
O=C(CC1CCCCC1)C[C@H]1C=CCCCC1	1925801498	DAYATNAFGAILSY-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC(C)Oc1cccc(C[C@@H]2C=CCCCC2)c1	1925843313	JEHFKKKDGJMGJK-OAHLLOKOSA-N	244.378	4.763	0	10	BJAE	
CC1(C)C[C@H]1CCCOc1ccccc1Cl	1935938113	VOIPNEQYFWKRKJ-LLVKDONJSA-N	238.758	4.545	0	10	BJAE	
CCCCCC[C@@H](O)CCCCCC1CC1	1936409878	GYRXVJKGCYXCOZ-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](CCCC)NC	1939119959	YDQMYSCDPLJKPH-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CC(C)c1ccccc1Oc1cc(Cl)ccn1	1940367902	YUXXUZOZZBKTDJ-UHFFFAOYSA-N	247.725	4.651	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)CC1(C)CCCCC1	1940407060	HYEZMXOOXXUVNI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC1(C)CCCCC1	1940410679	UNUVISCAHMUOSJ-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CC[C@H]1CC1(C)C	1940863972	QJBSBIYYIGIGNT-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC1(C)C)CCC(C)C	1940871409	CKBMVHQFCRKSES-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](O)C1CCCCCC1	1940871843	HLMXXIAEMFOZNX-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1(C)CCCCC1)c1ccc(N)cc1	1940974566	VWJHTFYGBQUSLO-ZDUSSCGKSA-N	231.383	4.733	0	10	BJAE	
C[C@@H](C[C@H](C)c1cccc(N)c1)CC(C)(C)C	1940978353	DTWLFIQBPNJMDO-STQMWFEESA-N	233.399	4.835	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1cccc2ccsc12	1941268215	CDDYIYUWZOQAMO-GXTWGEPZSA-N	247.407	4.583	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCCC2CCC2)CC1	1941469898	JPLGXMCBIWAXMX-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](O)CCCC1CCC1	1941470357	PCACGPRIMZPBEY-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)NCC1(C2CCCC2)CC1	1942575854	TUIOYVDSYWRLJM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)CC1CCCCCC1	1942652009	CMZZAYUOYUDXDJ-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1[C@H](C)CCC(C)C	1942659122	QRHBWIHANDFGFR-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(C)c1NCCC(C)(C)CC	1944007632	SNUJXTFICONFQI-UHFFFAOYSA-N	233.399	4.796	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944199489	NOFFGCDXUZOROH-LJISPDSOSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cccc(SC)c1	1947464143	QMBGMVFFSVFCRG-IUODEOHRSA-N	249.423	4.789	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1C=CCCC1)CC(C)(C)C	1947550975	BCKJCIFIKUPGAQ-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
CC(C)CCCC1(N)C[C@H]2CCCCC[C@@H]2C1	1947856528	GHJMGDYBTQXAER-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@](N)(CCC(C)C)C1CC1	1949047830	ZNYRZJBLNXLAII-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)CCC(=O)[C@H]1CCC2(CCCC2)C1	1949496385	DKHWSMPJRMDQGW-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CN[C@H]1C[C@@H](CCCC(C)(C)C)CCC1(C)C	1949654297	SLMHBXFYJMPPBC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(=O)CC1CC2(CCC2)C1)C(C)C	1949839887	DDWTVULMMQLHLK-CQSZACIVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCC2(CC2)C1	1950261260	SPEFIYSVWHLFEN-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC1(C[C@@H]2CCC[C@H](CCN)C2)CCCCC1	1950513885	NAMSOQKJBMUXPP-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CCNC[C@]1(C[C@H](C)CC)CCC[C@@H](C)CC1	1950930584	PZJWZLVGYOJQCI-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC(=Cc1ccccc1)CCCNCCC(C)C	1951318388	RVKSBMKJRKQOLS-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1CCC(C)CC1	1962883122	ZBBGZZHSWPOHGU-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc([C@H](C)NC(C(C)C)C(C)C)cc1C	1968604413	QNQMLINFLBYJBM-HNNXBMFYSA-N	247.426	4.635	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1NC1CCC2(CCC2)CC1	1968829032	AIPFTULNCXVWCD-FOLVSLTJSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](NCC1(C2CC2)CCC1)C1CCCCC1	1971681485	LWTPOFNOJLXDLZ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(N[C@H]2CC[C@H]2CC(C)C)cc1C	1972023400	SUQOLZFCPHBKHV-RDJZCZTQSA-N	245.410	4.794	0	10	BJAE	
CCCCC1CC(N[C@@H]2C[C@@H]3CCCC[C@@H]3C2)C1	1973574947	YOFYALPABJAJDT-IKIPUTRUSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(CN)CCCC	1978627046	OJCWKAHPZYVYJM-HUUCEWRRSA-N	227.436	4.748	0	10	BJAE	
CCCCCC[C@](C)(N)C=C1CCCCC1	1983514986	PVUWDEJFDRPJKW-HNNXBMFYSA-N	223.404	4.565	0	10	BJAE	
C/C=C/CCCNc1cccc(SCC)c1	1984615938	ZCINZKPFCBODTF-HWKANZROSA-N	235.396	4.567	0	10	BJAE	
CC[C@H](c1nc(C(C)(C)CC)cs1)C(C)C	1986415909	URFRAYOBVFINFI-NSHDSACASA-N	239.428	4.980	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)CCC=C(C)C	1988795391	SGBLNUVAXIPYDT-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1ccsc1C	1995261358	DHMIMNBQBYHFSW-BXUZGUMPSA-N	239.428	4.663	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](O)CC2CCCCCC2)C1	1996267150	FEMGUPUWNFDHRG-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N)cc1S[C@@H]1CCCC(C)(C)C1	2000049235	WPNBHKYISUBNFQ-CYBMUJFWSA-N	249.423	4.638	0	10	BJAE	
CC1CCC(C(=O)[C@H]2CCCC(C)(C)C2)CC1	2000099548	MYXVMOHYZIFCLG-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CCCC(C)(C)C1	2000164337	XJADNPWVXAUJMT-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(C[C@@H](C)CC(C)(C)C)C(=O)O	2000504442	IGENAEXOIHROFD-SWLSCSKDSA-N	242.403	4.730	0	10	BJAE	
CCC[C@](C)(CNCC)C[C@@H]1C=CCCCC1	2000517797	HKLRAMCUZSRNCO-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2001484850	BOBBRQBAFWMVHL-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@@H]1[C@H]2CCCCC[C@H]21	2002756929	BZKUXIRVTGADSP-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc2nc3c(c(Cl)c2c1)CC[C@H]3C	2002853862	RVTGULRWMNTOHN-SECBINFHSA-N	245.753	4.500	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)[C@@H]1CCC[C@H](C)C1	2003013665	IPEBNAKNFXLGDS-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCCC[C@@H]1O)C(C)(C)C	2003111384	LDOJCVIBIMZDGL-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@](C)(N)CC1CCC2(CC1)CC2	2003274900	HPPLIHPITPYGJR-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC(C)=CC[C@H]1CCCCC[C@H]1CNC(C)C	2004229378	ZRPAQZGBHLRIRG-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCC(=O)[C@]1(C)CCCCC1(F)F	2009566876	JVJKZGWGARPOPC-ZDUSSCGKSA-N	244.325	4.518	0	10	BJAE	
CC=CCCCC(=O)C1CCC(C(C)C)CC1	2009570701	CZGWGFFBQMABJW-UHFFFAOYSA-N	236.399	4.764	0	10	BJAE	
C/C=C/CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1N	2009619415	LDZFSDLVJMXEIV-FMRXSRBFSA-N	237.431	4.523	0	10	BJAE	
CC=CCCC[C@@H](CCCC(C)C)NCCC	2009620140	RWBHJYDCPYZYCM-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCCCCC1CC(N)([C@@H]2CCCC[C@@H]2C)C1	2009790959	FOJAANRUJBDFQE-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
C=C=CCC[C@](C)(CCCC)CNC(C)(C)C	2010984506	FJRPUSQITJLFQU-INIZCTEOSA-N	237.431	4.692	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011976027	XWKJNXNGMPYDJM-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC([C@@H](N)C[C@H](C)C(C)C)CC1	2015271912	OOUXEIMWNXFOQM-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(C[C@@H](C)[C@@H](N)C(C)C)CC1	2017732973	GKPCVLKKWWODIP-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCCCC12CC2	2018130310	NXIYQLFBCMGUGK-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCC(F)(F)CCC1=O	2018849852	KXLKRNZXBCBWAG-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC1(C[C@]2(N)CCC(C)(C)C[C@@H]2C)CC1	2018975495	PBPIPIRLQZAYJI-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@@H]1CCCC[C@H]1CC	2019199780	MDMOMBIJICJSNN-OWCLPIDISA-N	239.447	4.856	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)CCC1=CCCCC1	2019778854	OKNMPOYFRQYABV-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@]1(C)NCCCC1CCCCC1	2020585761	VRNHYFNFHLAANO-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](C=C1CCC1)NCC	2022672992	OMVOFPWOYUDDEP-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CCC[C@@H](C)[C@@H]1C	2022999901	XWHPHOSVJMCATD-FXUDXRNXSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1CCCC(C)(C)C1	2024101456	KVJYNFPCRPMWMX-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)[C@@H](O)CC1CC(C)(C)CC(C)(C)C1	2024114745	CKTUNRMQXJAUCG-JSGCOSHPSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C[C@@H]1CC1(C)C)NC	2026168525	AORGVDDQYKAXDI-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@H]1C[C@@H]1CCC	2026170683	RMEAJYPLOKEQOG-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc([C@H](N)CC2(C)CCCCC2)c1C	2027312585	XBKUKVLBCGLOMO-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
O=C(CCC1CCCC1)c1ccccc1C1CC1	2028579753	ZGKQWYZDVVSEAY-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCc1ccc(C(=O)CC2CCC=CCC2)cc1	2028873636	DBHDNNQXPBAVFZ-UHFFFAOYSA-N	242.362	4.568	0	10	BJAE	
CC(C)C1(CN[C@]23CCCC[C@H]2CCC3)CCC1	2031805869	UFPDUISDVHSBIF-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
Fc1cccc2c3c([nH]c12)CCCCCCCC3	2035891467	WEYZJFHBOSJLTN-UHFFFAOYSA-N	245.341	4.746	0	10	BJAE	
Cc1cncc(NC2CCCCCCCCC2)c1	2035892420	RNLYMWQSNQYWEQ-UHFFFAOYSA-N	246.398	4.695	0	10	BJAE	
C1=CC[C@@H](CNC2CCCCCCCCC2)CC1	2035893114	YJZIJDPOQNABFA-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC1(CC2(N)C[C@H]3CCCCC[C@@H]3C2)CCC1	2037105563	NBXCCAVWSALDSX-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(CC2CC=CC2)CC1	2037140579	XXEGYNVCIVMLHE-WBVHZDCISA-N	249.442	4.667	0	10	BJAE	
N[C@@H](CCC1CCCC1)[C@H]1CCC2(CCCC2)C1	2037692484	UHKCTEBTDXLWJR-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC1CC2(CCC2)C1	2038078866	OZMUPLSXAGFMCV-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NC[C@H]1CC12CCCCC2	2039078392	HPSRFOOPWZICBS-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C2(CC)CCC2)cc1	2039734084	IYFNIZBNEQSGMR-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CCCCc1ccc(NC[C@@H]2CC[C@H](C)C2)cc1	2040122191	ZQCWZGVJJCMCPB-GOEBONIOSA-N	245.410	4.877	0	10	BJAE	
C[C@@H]1CC[C@H](CN[C@H]2CCCC3(CCCC3)C2)C1	2040135641	USGKFNSFTOCNFB-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](CC2(N)CC(C3CCCCC3)C2)C1	2040170319	VUFOTGPWQHOHDN-JCAIJIATSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CCC1CC1)N[C@H](C1CCCCC1)C1CC1	2040315482	FGPBHGSCVSSKSQ-CXAGYDPISA-N	249.442	4.514	0	10	BJAE	
CCc1cc(NCC23CCC(CC2)C3)ccc1C	2041246577	ALVXDCHZRQHKPY-UHFFFAOYSA-N	243.394	4.550	0	10	BJAE	
C[C@@H]1CCC[C@H](CNC2CCC3(CC2)CC3)CC1	2041384214	SLIXZDIBCGIDFT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@@]1(C)CC=CCC1	2042020602	YUMBMVZBEAJYFC-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H]2CCC=CCCC2)C1	2045312281	NIXPRZZJRPNCIN-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(C3CC3)CCCCCN2)C1	2045399582	LIDKNZVSNVCUCJ-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
NCC[C@@H]1CCC[C@@H](C[C@H]2CC23CCCCC3)C1	2047005548	UQROGHKWCDUDSO-XHSDSOJGSA-N	249.442	4.502	0	10	BJAE	
CCC1CCC(N)(C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048442097	BKLYXDMALQWVJJ-LJEMCRLJSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC([C@@](C)(F)c2ccc(N)cc2)C1	2048632327	ZHZBDBSMUMBQEM-ZUEPYMLJSA-N	249.373	4.526	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@@]1(C)C=CCCC1	2050007649	QONHOUOJYMTDTQ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@H](C)N[C@@H]2CCCCC23CC3)CC1	2053334031	ZJLPZRHRKNJSTJ-BHDPWAOGSA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@H]1C=CCC[C@H]1C)C1CCC(C)(C)CC1	2055574511	VZHGFGBPLBEICA-YCPHGPKFSA-N	249.442	4.536	0	10	BJAE	
CC1([C@H](N)C2=CCCCCC2)CCC2(CC2)CC1	2056557579	VYADFXVZCVEWOC-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
N[C@@H](CC1CC(C2CCC2)C1)C1CCCCCC1	2056644416	CAMHGQZYHCOHMY-IMRCBTMISA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C[C@@H](N)[C@@H]2CCCCC23CCC3)C1	2056650541	HSNQZFBLZBTPFZ-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)C(=O)[C@@H](C)C[C@@H](C)C2	2056681213	ZNKAVKOZTMLBOJ-AGIUHOORSA-N	244.378	4.601	0	10	BJAE	
CC=CCCCN[C@H]1CCCC2(CCCCC2)C1	2059221924	UEJFOIKZEAIJQJ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1(CCC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	2059243373	OXLFHQRZTBLHBU-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@]1(CNC2CC2)CCCC[C@H]1C	2059258017	CJTDQMHRZHAIJW-GILVVUIESA-N	249.442	4.681	0	10	BJAE	
Fc1cc(Sc2ccccc2)ccc1Cl	2060342931	RFWMYCSKZVVESX-UHFFFAOYSA-N	238.714	4.630	0	10	BJAE	
CC[C@@H]1CC=C(C2(O)CCC3(CCC3)CC2)CC1	2061080062	DUUYARDEEWIXHL-CQSZACIVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1C1=CC[C@@H](C(C)C)CC1	2061151509	SPYRNYGSXJTXLE-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@](N)(CC[C@@]23CCC[C@@H]2C3)CC1	2061614248	DCZZUFJYIFUPAQ-DJIMGWMZSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(CN)(CC[C@]23CCC[C@H]2C3)CC1	2061623846	UWMVGMUUNRFVOB-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CCC1([C@@H](O)CC2CC(=C3CCC3)C2)CCCC1	2061687787	IPELJDYQHBXIRJ-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
O=C(CCC1CC(=C2CC2)C1)CC1CCCCC1	2061699841	QNGAHOFABRGLIX-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CC(C)(CN[C@H]1CCCCCC12CC2)C1CCC1	2062021385	UXBFKKLSSZYOPK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(OCC2C[C@H]3CCC[C@@H]3C2)c1C	2063532398	VCZIWTBWUKYBJK-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC2CCCC2)CC2(CCC2)C1	2063637927	OLGPSTRZZLZDAH-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
O=C1C[C@H](C[C@H]2C=CCCCC2)CC2(CCC2)C1	2063727564	XICYBRAGSQFLQD-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
C[C@H](NC1CCCCCCCC1)C1CC2(CC2)C1	2064494038	NMXZBAIQSITAIR-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(NCC23CCC(CC2)CC3)c(F)c1	2065299429	BKTQKSNMIVYUDU-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@H]1C[C@@H]2CC[C@@H]2C1	2068721610	BBFMCDDUPGLRHY-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CC(C)=C[C@H](C)C2)CCC1	2069339555	KSYJNCMQYDWHRH-BPUTZDHNSA-N	249.442	4.667	0	10	BJAE	
CC(C)=CCC[C@](C)(N)[C@@H]1CCC2(CCCC2)C1	2070296258	QZFKNOJGMBDEQZ-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)CCC1	2071915661	QLQMTMFJRPEKFC-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1(C(C)C)CCC1)[C@@H]1C=CCCC1	2071938427	NKCKSOLSPZYCPK-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)[C@]2(C)C=CCCC2)CCC1	2071942005	ZQMZUWWIOUCJGE-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
CC(C)C1(C[C@]2(CN)CCCCC23CC3)CCC1	2071946525	QSLVFSZGYFAMGP-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)C1CC2(CCCCC2)C1	2072430176	WOORMFBAZLDVKF-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@](C)(N[C@@H]2C=CCCCCC2)C1	2072612916	XFCNTWHXNHINEH-WBVHZDCISA-N	249.442	4.824	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H]2C=CCCCC2)CC1	2072797464	ZLDUKCYCHDHWOV-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC(=C2CCNC3(CCCC3)C2)C1	2074134900	SJHUHSJOXLNERW-AWEZNQCLSA-N	247.426	4.579	0	10	BJAE	
CCC1(C[C@@H](N)c2ccc(C(C)(C)C)cc2)CC1	2074558291	LPJKGKWMUBXHCX-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CCCC1(C[C@]2(CNC3CC3)CCC[C@@H]2C)CC1	2074627940	ZRHJEWKKZNBZKB-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](N2CCCC[C@H]2C2CCC2)CCCCC1	2074795296	UIFJKYNJOICCGR-SJORKVTESA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@H]1CCC12CCCC2	2074901965	ZQKSWKDNPHOVHA-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CC1(CC[C@H](N)[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079429347	WGEGQOAYSCRELU-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@H]1C[C@H]1C1CCCCCC1	2079519099	MELCSTYAAZMWDN-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@H]1C[C@H]1C1CCCCC1)C1(C)CCCC1	2079533347	WHBBUUVGCKUYJP-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2C[C@@H]2C2CCCCC2)C1	2079668820	CPWXRYZSXVDPLM-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)C1(C)CCC2(CC2)CC1	2079842601	OWAGJPQUOPRRFK-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1C[C@H](N)c1ccccc1C(C)C	2079886669	PYJUOJJQWXNYKS-ZQIUZPCESA-N	245.410	4.636	0	10	BJAE	
CN[C@H](C=C1CCC1)C1CCC(C(C)(C)C)CC1	2080257342	RJXMVPZGDFTCTB-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CCC[C@@H]1C[C@@H]1C=CCCC1	2082832928	SUVKFUOBAGSBOP-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)[C@@H](N)CC1CC2(C1)CC1(CCC1)C2	2083615712	PCYZTANPVLHOAO-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CC[C@@](N)(CC2CCC3(CC2)CC3)C1	2085303726	QFWNEZHUOHJERU-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CC[C@@](N)(CC23CCC(CC2)CC3)C1	2085305138	JPKSYBOPIVRKJE-XGHPGWEVSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1ccc(C)cc1C	2086043308	DPGQMLILCRDKDS-SUMWQHHRSA-N	248.410	4.943	0	10	BJAE	
C(CNc1cccc(-c2ccccc2)c1)=C1CCC1	2136761555	ROXKEZPNBFOXDE-UHFFFAOYSA-N	249.357	4.876	0	10	BJAE	
CC[C@H](CCCCCCCC1CC1)[C@H](C)O	2212451312	SZYIPPYCDRDRJY-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)CC(C)(C)NCCCCCCC1CC1	2213571804	NKBWNBHIHXLJKO-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)CCCCCCC1CC1	2213578542	NHGXOAMYVDRYHH-MRXNPFEDSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CNCCCCCC1CC1)CC(C)(C)C	2213596692	WOFVAGGSLYBKIS-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(O)CCCCC2(C)C)C1	2215383452	IWWINCYPAFCFCK-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCN1CCCCCCCC1CC1	2216860645	QAKNROHAHSIPBP-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CCC1CC(C(CC)(CC)CN[C@H](C)CC)C1	2217126874	VBLKFYJAJFTJSA-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](Cn1ccc2cccc(F)c21)CC(C)(C)C	2220309433	QAVXUULUDAFUHF-GFCCVEGCSA-N	247.357	4.853	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)CCC2(CCCCC2)C1	2220853564	RUNBIQZQCWLQER-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)Nc1ccnc(C(C)C)c1	2220863058	FRTUZBQKUPIBEA-KGLIPLIRSA-N	248.414	4.688	0	10	BJAE	
CC[C@H](C)NCC1(C[C@H]2CC[C@H](C)C2)CC=CC1	2223601033	YQPXEXNIAUMSHC-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](C)(CN)CC[C@H]1CCCCC12CC2	2246629406	GDRATRYFNOMMNS-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@@](C)(O)CC[C@@H]1CCCCC12CC2	2246635384	XARGVALMPREEKW-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](O)CCC1CCCC1	2247167811	YOUFVFNPFXUTCC-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)CN(C)CC1=CCCCC1	2247503500	WQJDRQKFZXWWMY-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCSc1cccc(N)c1	2248842195	QERHHWWXEYSYNH-OLZOCXBDSA-N	249.423	4.577	0	10	BJAE	
CCC1CC(C(=O)c2ccc(C3CCC3)s2)C1	2250277498	UOIORWASWFMKDK-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@H]1CCCC(C)(C)C1	2250356531	QZGPHHQAVATURB-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1CCCC2(CC2)C1	2250357031	UAXBWTNKOGDEHH-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)CNC1(C2CCCC2)CCC1	2250379318	SGNAGMLEXWREEO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CC[C@H](C)CCCC(C)C)CC1CC1	2250487750	FGCPPJISYAZCAL-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@H]2CCC(C)(C)C2=O)CC1	2251725196	UBTSQOYRWZZOIY-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
C1CCC(CCCNCC2CC3(CCCC3)C2)C1	2254083937	JPLCWDPWQIIBFQ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@@H]1CCC[C@H]2C[C@@H]12	2254568331	GNGLCORCNFGFAX-MDLJMBGESA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CCC23CCC3)CC1	2255030225	XXQMMBWFPLBFLA-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
O[C@H](CC1=CCCCC1)[C@]12CCCC[C@H]1CCC2	2255099435	JTSLKFGTMVOQGT-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC[C@H]2CCCC23CC3)CC1	2255256295	NYFWEIXQLDNBPT-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@H]1CCNc1cc(C2CC2)ccc1F	2259116184	NNLBKNKIXHSYFR-CYBMUJFWSA-N	247.357	4.551	0	10	BJAE	
CC(C)c1ccc(OC[C@@]23CCC[C@@H]2CC3)cc1	2260648051	QVMZQHAMHJKDHY-WBVHZDCISA-N	244.378	4.769	0	10	BJAE	
CC[C@](N)(C[C@]12CCCC[C@H]1CC2)[C@H]1CC1(C)C	2260659771	ZALHDUHSEQHZMG-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2298711805	GQUQSZDZADLLBQ-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H](N)C1CCCCCCC1	2298858102	LYBBUFUZCQJSKF-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@]1(C2CC2)CCCCCN1	2300696977	JOEPLARYJHHYOA-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC(C)=CC[C@@H](CCC1CCCCC1)NC	2300877591	SCLPYIVSFQBPOQ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC=CC[C@@H](NCCC)C(C)(C)C1CCCC1	2300879090	FAYDLBKMAOVQMS-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCc1ncsc1-c1cccc(CC(C)C)c1	2301780412	HUMYMJITJHXVHX-UHFFFAOYSA-N	245.391	4.571	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CCC1=CCCCC1	2301926252	NBNNUTDAHYFXOX-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](O)CCC1=CCCCC1	2301936589	XFOFZQCSVGARPJ-LZWOXQAQSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@@H]1CC(C)(C)[C@H]1C	2302149620	BOKSRKPMEIWIML-XQLPTFJDSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](CCCC2=CCCCC2)C1=O	2302299735	GFSWOOBQKHPYND-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)CCCC1=CCCCC1	2302360404	AMSPMPOZGJODBW-LSDHHAIUSA-N	237.431	4.680	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCCC[C@@H]2C[C@@H]21	2302851255	BBLZMWUWMCLLAB-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)C1)c1cccc(N)c1	2302900785	VUYNAUFDSBMCOZ-CHWSQXEVSA-N	231.383	4.589	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C(C)C)CCC(C)=C(C)C1	2303585872	YFWFJPIVNGFWEA-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](c1nc([C@@H]2CC23CCC3)cs1)C(C)C	2304489415	FOOFEEUQZLTBOK-NEPJUHHUSA-N	249.423	4.950	0	10	BJAE	
CCC[C@@H](CC)CN(C)C1CCC(CC)CC1	2307760597	JELBVNFNUCMYMC-HWOWSKLDSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](O)c1ccc(C)cc1	2307823300	NDWXONPCGZCZJI-GOEBONIOSA-N	234.383	4.635	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CCCC[C@@H]1CC	2307880612	WYPUAUSBKOXPHH-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](CC1CCCC1)NC	2307901031	XBCRAPXLHLZBMZ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1CC[C@H]1C(C)(C)C	2307927284	XWALFUXPHBHXBW-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CN[C@@H](C[C@@]12CCC[C@@H]1C2)C1CCCCCCC1	2310894708	JXGGPMHWVKOSJB-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)C[C@@H]1C[C@H]1CC	2310962720	OTCPNFWSZSKCBK-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC[C@H]1C)[C@]1(C)CC=C(C)CC1	2312521575	YNDDTZSPENQSHL-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313183456	SFLAVUBTWUWBFV-KSWRQPAISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NC[C@@]12CCCC[C@@H]1CC2)C1CCCC1	2313317319	ZIKCFGBTAWIGDD-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@@H](NC)c1ccc(C)cc1C	2316239568	RRTNSACEBUWARD-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCC(CC)CCC(=O)c1cccc(C2CC2)c1	2316275715	PNMWDZHYVLLJJJ-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC(=CCc1cncn1C(C)C)CCCC(C)C	2316491084	QCDBFCKHPREVJX-UHFFFAOYSA-N	248.414	4.779	0	10	BJAE	
CC(=CC[C@]1(N)C[C@H]2CCC[C@H]21)CCCC(C)C	2316537480	QVQRRPFVVKZQKT-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CC(=CC=C1CCCNC[C@@H]1C)CCCC(C)C	2316557370	NGPBSNZFHXMXBR-INIZCTEOSA-N	249.442	4.705	0	10	BJAE	
CC(=CCC1(N)C[C@H]2CC[C@@H]2C1)CCCC(C)C	2316569141	VBKIGLSTHXHOGW-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
CCOc1cccc(CCCC2=CCCCC2)c1	2318570714	ZEXJAPKJZAYYMK-UHFFFAOYSA-N	244.378	4.908	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)CC1=CCCCC1	2318593235	ROTOVUNGFYNACR-QGZVFWFLSA-N	247.426	4.875	0	10	BJAE	
C=CC=CCC[C@H](CCCCC1CC1)NCCC	2318886360	VSPGIAOJOOTWJE-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CC1(C)CC[C@@H](CC2(CNC3CC3)CCCC2)C1	2319287229	UDJUKUCMGHTULN-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@@H]2C[C@H]12)C1CCCCCC1	2319328591	HHFVCVBQPOPHFW-ORQFMDKSSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	2320384909	IGNVJHYKQSNNDX-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CC[C@H](C[C@H]2CCC(C)=C(C)C2)[C@@H]1C	2320388039	MNGOHEACWILIPX-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CC[C@@H](N)C2CCCCC2)CC1	2320411372	JGSZYLCQLSLKCY-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC(C)c1cccc(NCC2(C)CCCC2)c1F	2327764891	KBEXCFIBTHIATI-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
CCCCCCc1ccc(C[C@@](C)(O)CC)cc1	2327893414	HIUMQFFAJABGLY-KRWDZBQOSA-N	248.410	4.513	0	10	BJAE	
Clc1cccc2c1NC[C@H](C1CCCCC1)C2	11987822	LDPBPALPDCNGFI-CYBMUJFWSA-N	249.785	4.505	0	10	BJAE	
CSc1ccccc1N[C@@H](C)c1ccccc1	34981108	BDXFMTQSAHPKCK-LBPRGKRZSA-N	243.375	4.582	0	10	BJAE	
Cc1ccccc1N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	36866027	NNHFFAKNLHWZMW-YSVLISHTSA-N	245.410	4.868	0	10	BJAE	
CCC[C@H](C)n1c(-c2ccccc2)c[nH]c1=S	36903908	XTDJEZIKQUMPBD-NSHDSACASA-N	246.379	4.574	0	10	BJAE	
CC(C)CCC(=O)c1ccc(C(C)(C)C)cc1	36940717	HQXHOBDULLENHP-UHFFFAOYSA-N	232.367	4.603	0	10	BJAE	
CCCCCC[C@H](C)NCc1cc(C)cc(C)c1	70138930	FOTUWCQGCCOUSM-INIZCTEOSA-N	247.426	4.752	0	10	BJAE	
CCCCCC[C@@]1(N)C[C@@H](C)CC(C)(C)C1	71084900	QPXONNRQIHVMGH-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(C)cc2C)C1	71104440	VCBDYDJSMHODBC-LSDHHAIUSA-N	231.383	4.684	0	10	BJAE	
C=CCCCCc1ccc(CCC)cc1	78206793	XAFLIVSXGRDNRH-UHFFFAOYSA-N	202.341	4.538	0	10	BJAE	
CCC[C@H](C)[C@@H](O)c1ccc(C)c2ccccc12	79905843	OMBBBIIMOWHDNP-SUMWQHHRSA-N	242.362	4.618	0	10	BJAE	
CCC[C@H](CCCCCc1ccccc1)NCC	80410740	ILDCYYDKNDNOET-QGZVFWFLSA-N	247.426	4.568	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccc3ccccc3c2)C1	80431865	HZUXCPVAGBKVPY-BBRMVZONSA-N	239.362	4.830	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCC[C@H](C3CC3)C2)c1	81624144	XDOANOVDEGZCKI-HOTGVXAUSA-N	243.394	4.684	0	10	BJAE	
CC(C)C[C@H]1CN[C@H](C(C)(C)C)c2ccccc21	84230518	LGEWKZKFRVVAIE-BBRMVZONSA-N	245.410	4.507	0	10	BJAE	
Cc1ccc(C(C)C)cc1C(=O)C1CCCCC1	84556400	IJWAUMJFIGHZQM-UHFFFAOYSA-N	244.378	4.881	0	10	BJAE	
CC[C@@H](Nc1ccc(C(C)(C)C)cc1)C1CC1	86115546	FSKISMYWBLYLDL-OAHLLOKOSA-N	231.383	4.585	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cc(C)ccc2F)CC1	86896612	KAOWTYYLLNYLES-KBPBESRZSA-N	249.373	4.905	0	10	BJAE	
CCCCC[C@H](NCC)c1sccc1Cl	87622369	JJGRGDUHPQUESC-NSHDSACASA-N	245.819	4.632	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@@H]1CCCCC[C@@H]1C	88508923	YLVDEHMULLJHFK-ZMSDIMECSA-N	245.410	4.614	0	10	BJAE	
CCCCc1ccc(C(=O)C2(C)CCCC2)cc1	94899010	CYIATUJYHYAGFE-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CC[C@@H]1O[C@H]1C[C@@H](C)c1ccc(C(C)(C)C)cc1	107538027	WCALPAXQKVTHDS-KCXAZCMYSA-N	246.394	4.655	0	10	BJAE	
Cc1ccc([C@@H](C)CC[C@@H](C)N)cc1C(C)(C)C	107636408	UKLQHLBFAOASAN-GXTWGEPZSA-N	247.426	4.523	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)c1sccc1C	126742140	OLJJJPPFRBPTOL-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CNC(C)C)C1CCCC1	128260103	PUJGDHWMEXQXQH-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1csc(-c2ccccc2C)n1	132207123	KDSXUHOJXVPYSN-SNVBAGLBSA-N	231.364	4.632	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H](C)c1cc(C)cc(C)c1	132618051	RIIQTJSSKBHJSC-PBHICJAKSA-N	245.410	4.533	0	10	BJAE	
CCCCCC[C@@H](O)c1cccc(CC(C)C)c1	165363012	VVQJOGWMMOBXJQ-QGZVFWFLSA-N	248.410	4.889	0	10	BJAE	
CC[C@@H](C)[C@@H](C(=O)CCC1CC1)c1ccccc1	166580613	ZXYYRKGZTONNGQ-CXAGYDPISA-N	244.378	4.576	0	10	BJAE	
CCCCCC[C@@H](O)c1cc(C)c(Cl)s1	226684168	YLYIGPNSWRXEIO-SNVBAGLBSA-N	246.803	4.714	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C[C@H](C)C(C)(C)C	229154006	YIBYAMCXEXSCTR-DZGCQCFKSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CCCC(C)C)c1ccccc1CC	229177568	XJSBMFORAGWFNW-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCCCCC(=O)c1cccc2ccsc12	229330344	DTDALEITHUTKEN-UHFFFAOYSA-N	232.348	4.664	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccc(Cl)cc1C	229619209	CDTWKADHNYWWAA-RISCZKNCSA-N	237.774	4.639	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1cc(F)ccc1Cl	231812124	OVUZKEAOURIAPV-SNVBAGLBSA-N	243.753	4.716	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C2=CCCCCC2)CC1	233929457	PQVZBEBUMXONHK-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC(C)(C)C[C@H]2C)c1	235314011	QNZOSFZHSUVBFR-UKRRQHHQSA-N	231.383	4.540	0	10	BJAE	
S=c1cc[nH]c(-c2cccc3ccsc23)c1	236603620	GTRGMBGJTVVHEF-UHFFFAOYSA-N	243.356	4.626	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](C)CC[C@H]1CNC(C)C	250816534	JIIKQCMKLUAABQ-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
c1cc(C2CCCCCC2)cc([C@@H]2CCCN2)c1	258220188	DRJBOOMYWKHIOA-KRWDZBQOSA-N	243.394	4.549	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)CCC1CCCCC1	302237624	BHEOYAXYSZSROM-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(N[C@H]2/C=C/CCCCC2)cc1C	302482590	RCSKAMOTFXNIHS-VFADXPBXSA-N	229.367	4.604	0	10	BJAE	
CC[C@@H]1CC[C@H](NC)[C@H](CCCC(C)(C)C)C1	305918301	LBFJMRIJZVRLIR-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)/C(=C\[C@@H](C)C(C)(C)C)CNC(C)(C)C	306042902	QIBASAVQAHZFMN-JFBXQDQPSA-N	239.447	4.639	0	10	BJAE	
Cc1c(Cl)ccc2sc(C(F)F)cc12	306857677	BFQQMPSFYZRKMM-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCCCC[C@@H](NC)[C@@H](CCC)CC(C)C	308042747	CZQPNTJZEQGDEI-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](C[C@@]2(O)CCC[C@@H](C)CC2)C1	310135883	LXZZZTXLTYTUGL-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@]1(CNC(C)C)CCC[C@@H]1C	317906797	KBVAMVNVPZGYCK-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)CC)CC[C@H](CC)C1	318508439	XVJHONLAHACMJJ-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@H](N[C@@H]1CCCCC12CCCC2)C1CC1	324018672	RABYSCUWYYRRSJ-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCCC(C)C)c1cc(C)cs1	379241898	XFUQCXQAAUVDHZ-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
C[C@@H]1CCC[C@@H](n2ccc3ccc(F)cc32)C1	382907076	VTMNVOYSJGJPFD-BXUZGUMPSA-N	231.314	4.532	0	10	BJAE	
CCCCC[C@@H](O)CCCCCC(C)C	383135846	DNSWUQAJURLIRL-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H]1CC[C@H](CC)CC1	383203236	VQLSCCBZPOILHE-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC[C@H](C)[C@@H]1C	383259047	XLQAZRSZCDCQLZ-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2(C)CCCC2)CC1	383694891	UOFODZTVUGRMRT-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C(C)(C)C(C)(C)C)C1	383899531	WFMWJAZUAXGQHH-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C1CCCCCC1	384909067	CWLYGPMDCJRANF-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CCC1=CCCCC1	385707765	LUVTVBQUSBRBAR-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CC[C@@H](N[C@H](C)c1ccccc1C)C1CCCC1	387596542	UWSWCKQPTYLIHY-RHSMWYFYSA-N	245.410	4.614	0	10	BJAE	
CCC(CC)[C@@H](C)NCC(CC)(CC)CC	395163181	VGKKGJVHCBLYLR-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCOc1cc(CC)c2ccsc2c1Cl	396188686	BJYRORJWHUGDEC-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc(S)c2sccc2c1C(F)F	396257625	YPXYKCHGIWYPSD-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CC(C)[C@]1(C)C[C@H]1N[C@@H]1CCCC12CCCCC2	397391550	QRGCPXPRLKFTPW-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@H](C)C[C@@H](C)CC)[C@@H]1CC1(C)C	397643683	ZBEHOBMYJRBSNE-XGUBFFRZSA-N	239.447	4.616	0	10	BJAE	
O=C(CCC1CCC1)c1cccc2ccsc12	398807830	XPYUQINZCFJNJA-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
C[C@@H](C(=O)CC/C=C/c1ccccc1)C(C)(C)C	399305689	KGNYJELRQGCVNY-BCNIOPEESA-N	244.378	4.731	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)c1ccccc1C	400453793	HTOQRLKPEAZZEG-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
C1=C(CNc2ccccc2-c2ccccc2)CCC1	401051180	AVAXDXHHBNOMOB-UHFFFAOYSA-N	249.357	4.876	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1CC=CCC1	402117220	AIIWYXAYSJPTKM-CQSZACIVSA-N	230.351	4.545	0	10	BJAE	
CC[C@H](C)c1csc(-c2cccc(C)c2C)n1	405184903	MJKZAKFFPXXCIH-JTQLQIEISA-N	245.391	4.940	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1Nc1ccsc1	691148806	KXGMISDYWQOBKM-KGLIPLIRSA-N	237.412	4.765	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1cccc(F)c1	691168573	RRZYHFJCCYGFQW-SWLSCSKDSA-N	235.346	4.597	0	10	BJAE	
CC1(CN[C@H]2CCCC3(CC3)C2)CCCCCC1	695716670	MVDKIPMRNVVMFN-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCC(C)(C)CCC(CC)(CC)CNC1CC1	696677769	LLTHKLOYKFJGQU-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	699036965	FGFNFTZLNLIXLN-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](N)(C[C@H](C)C1CCCCC1)C(C)(C)C	704852905	RYEJEDIQBHIXAG-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@H]1CCCC12CC2	706307821	DAXPDQHRVGEOTM-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@H]1CCCC12CC2	706310186	KEYXCLJIXKKBGZ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCCCC[C@H]1C	707548252	WSFLWKKRQGLGIG-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H](C)CC(C)(C)C	709265056	UESCMNJRZJMUCC-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
C[C@H](CC1CCC1)NCC1CCCCCCC1	710277442	NVMXQMQHUWHDRR-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(NCC(C)(C)C(C)C)c1Cl	713130583	OSRACFDHWYQPHZ-UHFFFAOYSA-N	239.790	4.743	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@@H]1CC(C)(C)C	713168501	OCNFNVUORZPFBS-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC1(O)CCC(c2ccccc2)CC1	713188865	OSDUDFVJUTXEHT-UHFFFAOYSA-N	246.394	4.512	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H](C)c1ccccc1	713245325	AGLMRMJSDRYDKV-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
Cc1cc(C(=O)CC(C)(C)C(C)C)sc1C	713366052	NPBQIXBBYCYUFE-UHFFFAOYSA-N	238.396	4.620	0	10	BJAE	
C=C/C=C/CCCc1ccc(C(F)(F)F)cc1	713648066	VRWHCASFHZLQMO-ONEGZZNKSA-N	240.268	4.770	0	10	BJAE	
C=C/C=C\CC[C@@H](NC)[C@@]1(C)CC[C@@H](C)C1(C)C	713725046	LJQAVSLIKIZMEB-BJRNRQKISA-N	249.442	4.559	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCC[C@H]2CCCC[C@@H]21	714291637	QHIRZZZIICSLLO-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC(CC(=O)C2CC(C3CC3)C2)CC1	714425506	VUGIDQOYVUKSQG-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC/C=C/C[C@H](CCC)c1cccc(O)c1	714543763	OXOGFOZRMQQFMQ-GFUIURDCSA-N	218.340	4.632	0	10	BJAE	
CC(C)=C(C)CCc1ccc(C)cc1C	718752740	OAZNWIUFFWJUEF-UHFFFAOYSA-N	202.341	4.592	0	10	BJAE	
CCC(CC)C[C@](N)(CC)CC1CCCCC1	720358506	MTLRAFGQHVXVKD-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
Clc1cccc(Nc2cc3ccccc3[nH]2)c1	757135893	IWZYYILTBDJTFC-UHFFFAOYSA-N	242.709	4.565	0	10	BJAE	
Cc1cc(-c2ccc3ccsc3c2)ccc1O	1242114242	SAVWOJXCQHPWLF-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
C=C/C=C\CCN(C)C1CCC(C(C)(C)C)CC1	1307434071	QIUSDXUFGJLJHP-FPLPWBNLSA-N	249.442	4.655	0	10	BJAE	
CC(C)C(CNc1cccc2cc[nH]c12)C(C)C	1462125046	DQOVWDMFJWKQFL-UHFFFAOYSA-N	244.382	4.508	0	10	BJAE	
CCCC1CCN(C[C@H](C)CC(C)(C)C)CC1	1615740843	VCOWLOBFDLLQOA-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCC(CC)CN(CC)CCC1=CCCCC1	1641501261	JSASYILYCAJSRT-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN2C3CCCC2CCC3)C1	1652504209	BFLMYFQHDGWPPR-XNIRIUNOSA-N	249.442	4.610	0	10	BJAE	
CCC(CC)CSc1ccc2c(c1)CCC2	1656183269	ABMHTHSOEOWJRQ-UHFFFAOYSA-N	234.408	4.704	0	10	BJAE	
Cc1c(CC(C)(C)C)cccc1C(F)(F)F	1901924745	ZJAIWIVDIKTYMF-UHFFFAOYSA-N	230.273	4.602	0	10	BJAE	
CC=CCCN[C@H](CC(C)(C)C)c1ccccc1	1911989476	WIXGAWVUYZTTDU-MRXNPFEDSA-N	245.410	4.720	0	10	BJAE	
CCC(C)(C)CC=C1CCC[C@H]1[C@@H]1CCCCN1	1912033117	FDAKKVRRGQFTRO-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@@H](C)C1(N)CC2(CCCCC2)C1	1912708383	NHPDLPXNHVJITE-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H]1CCCCCCCCC1=O	1913389673	MGWQAFKYEYPRKQ-CQSZACIVSA-N	224.388	4.742	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1CC[C@H](C)[C@H](C)C1	1919977766	WCLNRBXXJJPDFU-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C1CC(CCC)C1)[C@H](C)CCC	1921281377	UFVRHUPJGRWOAP-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H](CC[C@@H]2CC2(C)C)Nc2ccccc21	1921558641	QCUDMGHZEGJUJZ-MGPQQGTHSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@H](C)C1CCCC1	1923882115	OIPIDTQFCXPKJV-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)[C@@H](O)[C@H](C)CCC(C)C	1937161270	FTNALJOESXKBTH-HIFRSBDPSA-N	228.420	4.636	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)CC1(C)CCCCC1	1940414182	HYYLUYXLPWLJLB-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)CC1CCC1	1940874533	FSVDDCPLPBPFKP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)C1=CCCCCCC1	1941250702	HTHRMXOZYIQTTA-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1[C@@H](C)CCC(C)C	1942662303	XFQTUKGKNOIJOR-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H](C)CCC(C)C	1942664272	SAAPNTGRRUOZJO-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C(C)(C)C2CCCC2)C1	1944635487	RKTJBACUWQQERO-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C(=O)C1CCCCC1)C1CCCCC1	1944641743	MOJOWSUBUOLDJQ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CCCCC12CCC2	1947879521	CEXAWEIETPQYAL-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC(CC[C@@H](N)CC2CCCCC2)C1	1949920368	ZGVKXLAUNSRSSW-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)C[C@@H]2CCC[C@@H]2C1	1950312239	ZFNVJZLEHFASPX-ZSHCYNCHSA-N	237.431	4.501	0	10	BJAE	
CC(=O)c1ccccc1-c1cc(C)cc(Cl)c1	1950609146	CUFVTIZUBQABDA-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CC(C)(C)CCC(=O)C1CC2(C1)CC(C)(C)C2	1950936594	UKOOWXAHSMEPOZ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCC[C@@H](CC)CC1	1967708468	QAYURAGCVGYSDQ-GDBMZVCRSA-N	239.447	4.904	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1N[C@H]1CCCCC12CCC2	1967799500	UTPHXKKTOMLNKN-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CCC1CC1)NC[C@@H]1CCCCC12CCC2	1967865210	PFVYPAACHNGUMD-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1OCC1CCC2(CC1)CC2	1968269412	AZYGRBKXJJYDBS-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
Cc1cc(C)c(-c2nc(C3CC3)cs2)c(C)c1	1968572231	LGZNNJQCFCYHCQ-UHFFFAOYSA-N	243.375	4.613	0	10	BJAE	
CCCCC1CC(Nc2cc(C)cc(F)c2)C1	1968597066	XTUZBJUQGWRKEU-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C1CC2(CCC2)C1)C1CCC1	1969867428	UOUSQJKSKHHKIE-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1c2ccccc2CN1CC1(C)CCCCC1	1970739292	JWYAVLRSGUSZFX-CQSZACIVSA-N	243.394	4.534	0	10	BJAE	
CCC[C@@H](CC)NCc1ccccc1C1CCC1	1972494705	JGBOESJBXPVUHF-MRXNPFEDSA-N	245.410	4.622	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1CCC[C@@H]1C1CC1	1973479668	RCMXLVMZVGOFDO-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC[C@H](N)c1cccs1)CC(C)(C)C	1980687893	RBRIPVOAWVXYCE-RYUDHWBXSA-N	239.428	4.600	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C(C)(CC)CC	1981003141	XYCLSGSCUHMPEQ-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H](C)CCCC	1984636094	WFCKYOPUOIIKRH-QKNOVVFDSA-N	225.420	4.537	0	10	BJAE	
CCCC(N)(CCC)CC1(CCC)CCC1	1988467156	RFQOCGQVOADZQI-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(C)cc1C	1989819551	STXUEIKNHHBXJX-ZDUSSCGKSA-N	219.372	4.540	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@H](C)CCC	1995254374	RAXVMXMZDBKJJU-RRFJBIMHSA-N	228.420	4.780	0	10	BJAE	
Cc1cc(C)c2c(CC(C)C)coc2c1C	1995461322	KFVRUPQGXKNEPP-UHFFFAOYSA-N	216.324	4.557	0	10	BJAE	
Cc1csc(-c2nc(C3CCCC3)cs2)c1	1995498931	VVQIRVQHQXYZHC-UHFFFAOYSA-N	249.404	4.838	0	10	BJAE	
CC[C@](O)(C[C@@H]1CCC[C@@H]1C)C1CCCCC1	1996545794	CLAKKXKPPUECLJ-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)CN[C@]1(C)CCCC1(C)C	1997353048	RLBRNDXUUNYGBU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C1(C)CC=CC1	1997543169	FCSKZBQIADCOFY-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccc(F)c(C)c1	2000215041	MTPMTUYMGGLPKV-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCCNC[C@@](C)(CCC)C1CCC(C)CC1	2000518522	PFDYCILBEWWORM-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CCCCCN(C[C@H]1C=CCCCC1)C(C)C	2000908502	YZMTURYCTGEUEW-INIZCTEOSA-N	237.431	4.633	0	10	BJAE	
CCC1CCC([C@@](C)(N)[C@@H](C)[C@@H](C)CC)CC1	2002970341	NRPGRGDYGKXWPT-SXDHFHGXSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@@H]1CCCC(C)C	2003100292	QQSYBARXIFRMLK-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
Cc1sccc1C(=O)CC1CCC2(CC1)CC2	2003288286	RCTCBBCWUIYSGJ-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CC1([C@@H](N)[C@@H]2CCC2(C)C)CCCCCCC1	2004923134	NRIHPOSJHGPBJN-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1C[C@H](NC)C[C@H](CCC(C)=C(C)C)C1	2006626208	CQKNXTSDQMGPNM-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C1(N)CCCCCCCCC1	2006766501	WUNZUALHMJSFPV-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CC1=C(C)[C@H](NCCCCCC(C)C)CCC1	2006922463	KNDYLSXTQTXOHZ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H]1CC[C@H](CCC(C)=C(C)C)[C@@H]1CC	2009230920	RYFNNSCOPZXYPE-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC1CC(NCCC2(C)CCCCC2)C1	2009711787	DGNFTBFBRUMFEG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)CCCCC)C1	2009715300	CJJXGIYDWILGSI-FHERZECASA-N	239.447	4.904	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)c1ccsc1	2010620916	FXFJHKXCHQWORO-SWLSCSKDSA-N	249.423	4.535	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)C(CC)(CC)CC)CC1	2010748443	NYYWGXCWQUXVLI-HIFRSBDPSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)[C@@H](C)CC(C)C	2013265100	SXCCFYVQQMUNGH-ARFHVFGLSA-N	241.463	4.862	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC[C@]12CCC[C@@H]1C2	2013271935	XCPHLOMGIYJNPF-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@]1(C)C[C@@H]1C)NCC	2016457487	QJIVWNXVDSBLJM-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)(C)C1CC1)C(C)=C(C)C	2017484733	AQLYWPLFYXBGMX-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@](C)(O)[C@H]1CCC2(CCCC2)C1	2017703220	RMYWOFBBBWIFBW-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@H](CC1CCC(CC)CC1)NC	2017724884	ZUPUXMHKKWLFHD-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H](CC)C(C)(F)F	2018137611	XNLRDPUQQBILOU-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CC1(CC)CC1)NCC	2019008565	PCDQOLVVCHVQJY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1[C@H](CC=C(C)C)CCCC1(C)C	2020365794	YQFUCIYICLBTGT-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@@H]1CCCC(C)(C)[C@@H]1O)CC(C)(C)C	2020398129	AJTNHXPHXKDSMY-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1C[C@H]1C(C)C	2022478233	SAPWRFLGVVDZCO-HIFRSBDPSA-N	231.383	4.514	0	10	BJAE	
CC(C)(C)C(=O)CC[C@@H]1C[C@@H]1C1CCCCC1	2022555742	AANYFGFFZVQYSL-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C=C1CCC1)C[C@H](CC)C(C)(C)C	2022685254	CDVALPPGHANZAY-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CC(F)=C1CCC1	2023342779	VGKKVUYRODLFOJ-AWEZNQCLSA-N	241.394	4.541	0	10	BJAE	
N[C@]1(CCC2CC2)CCCC[C@@H]1C1CCCCC1	2026896333	JJMFAEAQPLGRTE-SJORKVTESA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1CCCCNC(C)(C)C	2027498289	DKUWUYCWGNEZMG-UHFFFAOYSA-N	247.426	4.521	0	10	BJAE	
CCN[C@H](c1ccccc1C1CC1)[C@H](C)C(C)C	2028558866	ATRLBTJAVJMVBA-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CCNCC1(CC2CCC=CCC2)CCCCC1	2028871172	XZXRIGRWCKIFCO-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccccc1CC(C)C	2028930992	QUMLOAALDLMLSV-CQSZACIVSA-N	246.394	4.894	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@H]1CC[C@H]2C[C@H]2CC1	2028965037	PDGYEEFHULEUGI-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccccc1C1(C)CC1	2032242467	HWTCQRITAJWBFZ-HIFRSBDPSA-N	243.394	4.729	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2[C@@H]3CCCC[C@@H]23)C1	2032791288	QXSZBDNYAMGICV-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC1(CCN[C@@H]2C=CCCCCC2)CCCCC1	2033210484	MAPWXZVTXJYSLG-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC1CCC(C[C@]2(N)CC[C@@H]3CCCC[C@H]32)CC1	2034256732	JMLBTQKDIVHTIT-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)c1cccc(C(C)C)c1	2035497024	VCNJHWAWTULAIY-WBVHZDCISA-N	246.394	4.598	0	10	BJAE	
CCNCC1(C[C@H]2C=CCCC2)CCC(C)CC1	2035598175	DUTHPMSOEVIJHD-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CCC1(C)CC([C@H](O)c2ccccc2C(C)C)C1	2036476300	PZKFEOVKNTWDLP-PWZRNIHTSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H]1CNC2(CCCCC2)C1	2037720998	MMIIUBSSNLTWNT-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1cccc(F)c1C	2039446184	DPPWDLIIKRRYSO-GXTWGEPZSA-N	247.357	4.538	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H](C)c1ccccc1)NC	2040717660	VGROHUKVOCAYME-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@]1(C)CC=CCC1	2042025780	YNFCKAVSEVYWBI-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1CCC(C)CC1)[C@@H]1C=CCCC1	2043186929	IJSKIAAHYCSJET-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CN(C)C[C@@H]2CCC=CCCC2)CC1	2045310814	FTFUZSIXOZLPFY-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C[C@H](C)c1ccccc1	2045559619	AYPSWJQXBAZWTI-GJZGRUSLSA-N	246.394	4.822	0	10	BJAE	
CCNCC1(C[C@H]2CC23CCCCC3)CCCC1	2047009196	PURQMAGTXKERQZ-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2CC23CCCC3)C1	2047022112	BHQQNQINNXEVFS-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@@H]2CC[C@H]3C[C@H]3C2)CC1	2047356495	DEKKQIPDVJCHOK-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCC(=CC1[C@H]2CCCCC[C@H]12)CNC(C)(C)C	2048557993	XEKVAKVNCGWCRZ-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC([C@@]2(N)CCCC23CCCC3)C1	2048610760	MVYPZISBZIWXHO-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(C2(N)CCCCCCCC2)c1	2049679317	UUOKWNVORQTFSP-UHFFFAOYSA-N	245.410	4.592	0	10	BJAE	
CCCC1([C@H](C[C@@H]2CCC3(CC3)C2)NC)CCC1	2049852581	CFVJDNDLIUMVFC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(C[C@H]1CCCC2(CC2)C1)[C@H]1CC1(C)C	2049862063	FAGZEGLJUZNGLI-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1C(=O)C[C@H]1CCCC2(CC2)C1	2049952638	YVKJMPCWIVPIEJ-CQSZACIVSA-N	242.362	4.538	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CCCC2)C1)C1(C)CCC1	2052357424	XORYAEFQDVARDL-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC1(CN[C@@H]2CCCC23CC3)CCCCCCC1	2052500152	DZDKBPMBLUIUTR-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1C[C@H]([C@H]2CCCC[C@@H]2F)c2ccccc2N1	2055186379	PSJYNPDWDVUUDA-GBOPCIDUSA-N	247.357	4.503	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@H]1C=CCCC1(C)C	2055531295	GNJOMRKYKGSBRJ-JYJNAYRXSA-N	249.442	4.536	0	10	BJAE	
CN[C@@H]1CCC(C)(C)CC[C@H]1C[C@H]1C=CCCC1	2059004106	UJRLCNVJTBWBMY-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)[C@H]1CCCC1(C)C	2060923581	YXMKFGFRGXRQBU-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C(C[C@H](O)c2ccccc2C)CC1	2061100174	VDKUODGJIZIPKI-PBHICJAKSA-N	244.378	4.555	0	10	BJAE	
CCN[C@H](CCCC1CC1)C1=CCC(C)(C)CC1	2061140241	LXCLZQPZOBOEJP-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCC[C@]12CCC[C@@H]1C2	2061572932	URTVYGBKGYWUOD-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
c1cc(NCC[C@@]23CCC[C@H]2C3)cc(C2CC2)c1	2061573245	WMJCDBOCMIWORX-DOTOQJQBSA-N	241.378	4.556	0	10	BJAE	
O[C@@H](CCC1CCCCC1)C1CC(=C2CCC2)C1	2061642500	YNXNPGATZITOOA-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2C[C@H]3CCC[C@@H]3C2)C1	2063410254	QSBCXSKFQJENKK-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(N)(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063481152	RPJPQPMLNAXHAB-JSGMBBGDSA-N	249.442	4.501	0	10	BJAE	
NC1(CC2C[C@@H]3CCC[C@H]3C2)CCCCCCC1	2063487746	RKZFGCZENOUKSN-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C12CCCC1CCC2	2063831005	RMCDVYAPWZUMIP-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CCC1)CC12CCC(CC1)CC2	2065309253	ZINNFEFARAHJAY-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cc(C)c(N)cc1C	2066082827	XYNDEHZIGNEMCI-CQSZACIVSA-N	248.414	4.512	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cccc(C(C)C)n1	2066359963	VASAOTSCIUBLHV-UKRRQHHQSA-N	246.398	4.586	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@H]2CC23CCC3)Nc2ccccc21	2069170002	CSAKJYBHTJXRDH-MGPQQGTHSA-N	241.378	4.555	0	10	BJAE	
CC(C)(C)C1(CC(=O)C[C@@H]2CC[C@H]3C[C@H]23)CCC1	2071917426	KQXUDUKLZORYKI-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](N)(C2CCC2)C2CC2)CC1	2072804084	OSAQNSDSKGHJJA-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(NC[C@]23CCCC[C@@H]2C3)ccc1C	2074045581	FXDPCZSUICMPGR-NVXWUHKLSA-N	243.394	4.550	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC12CCC2)CC1(CC)CC1	2074653136	KXWALXNHGIGAKE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N(C)[C@H](C)c1ccccc1	2074791334	RDBPXKVZSSDZRX-INMHGKMJSA-N	245.410	4.648	0	10	BJAE	
CCCC[C@@H](CC)CN(C)c1ccc(CC)cc1	2074908516	JZHRZODZEXMEKP-MRXNPFEDSA-N	247.426	4.902	0	10	BJAE	
CCC1(CC)CCC(N(C)[C@H]2C=CCCC2)CC1	2075082614	RGBNUPDGWVDNFM-HNNXBMFYSA-N	249.442	4.776	0	10	BJAE	
CCCCC1CC(N(C)CCC2=CCCCC2)C1	2075146258	BVZVKEWHBOLPSL-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1[C@H]2CCCCC[C@H]21	2077193877	DUFARKPPLUGZPC-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCCC	2077198111	YABPXBJNOUPUQD-HJWJTTGWSA-N	249.442	4.537	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2C[C@@H]3CC[C@@H]3C2)c1	2077262701	CZVJFZMHUKJVIS-FICVDOATSA-N	241.378	4.555	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H]1C[C@H]1C1CCCCC1	2079433289	ZDRMIJQLLGLFEI-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1C[C@@H]1C1CCCC1	2079433750	BQMYOCCODOUNIW-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1ccc(C(C)(C)C)cc1	2079479903	ZROOGGVQBBEAHY-ZFWWWQNUSA-N	244.378	4.603	0	10	BJAE	
C[C@](N)(CC1CC1)C[C@@H]1C[C@@H]1C1CCCCCC1	2079819702	OFZXPGXVEJCXOB-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
Fc1ccc(-c2cccs2)c(C(F)(F)F)c1	2080300578	RDHUVKKFHREIEE-UHFFFAOYSA-N	246.228	4.573	0	10	BJAE	
CCc1ccccc1[C@H](C)Nc1cccc(C)c1	2081205311	BOJGQQSCAMTDTF-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CC(C)(C)C[C@@H]1C	2081946906	MWDXAYRREKKQSY-XHDPSFHLSA-N	249.373	4.625	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@H]2CCC[C@H]2C)c1	2082952303	CBQURFNAUGJXNE-IUODEOHRSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)CC2=CCCCC2)C1	2082979821	QMMZEEWNPJFPAN-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC(C)C[C@H](C)C=C1CCCNC12CCCCC2	2083809609	VVHSKMNNCRQPRQ-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1(C=C2CCCNC23CCCCC3)CCCC1	2083809649	WGMMJTJKJRKDGH-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C[C@H]1CCCCC1=C1CCCNC12CCCCC2	2083813184	YPADCKWUSFVNJT-AWEZNQCLSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1CCC1(F)CCC1	2084766453	FNWMGKFWCNFNGK-OLZOCXBDSA-N	247.357	4.504	0	10	BJAE	
Cc1sc(C(=O)CCC(C)(C)C)c(C)c1C	2211700200	PRUCDPVGUFMQMH-UHFFFAOYSA-N	238.396	4.682	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCCCC(F)F	2212258622	NAZCUJHYMDTOHD-NSHDSACASA-N	234.330	4.597	0	10	BJAE	
Cc1cc(Cl)cc(O[C@H]2CCCC[C@@H]2C)c1	2212529662	CBZOCMGVDMWEBR-FZMZJTMJSA-N	238.758	4.606	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)C(CC)CC	2212585775	FYSMNDHIJWWNRX-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1NCC(C)=C(C)C	2212632007	YCHHYLIBAUUXPR-UHFFFAOYSA-N	237.774	4.671	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213282030	KOHDDIGCWAPRSM-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccccc1OCCCCC1CC1	2214581397	NRDJBAOZMRWIAF-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC[C@H]1C[C@H]1CC	2215257831	WRYGFSMEHGLNNB-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C[C@H](N)CCCCC(F)F)C(C)(C)C	2216426868	DKHJQPYADQIVLO-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
CC(C)[C@H]1C[C@H]1c1nc(Cl)cc2ccccc12	2217019886	BZJYTQPROLCTDZ-CHWSQXEVSA-N	245.753	4.648	0	10	BJAE	
CCCC[C@]1(CN[C@@H](C)CC)CC=C(C)CC1	2217127680	DXVVEAVQBOSTTB-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CC(C)C)C1CCCCC1	2217154232	RVNDPBMFUOMESO-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218336058	BMRDKEBKRPPDMQ-OQVSOFDRSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218357647	HRURWEYYMIVNJX-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC=C(C)C)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218357778	IDAKVLJEVBNPEQ-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC(C)Cc1ccc(CC2CC(=C3CC3)C2)cc1	2218644438	YOUNQVWJTPJTLU-UHFFFAOYSA-N	240.390	4.928	0	10	BJAE	
CCc1ccccc1CC/C=C/c1ccccc1	2219072392	BJVXCFAJTXCIIQ-WUXMJOGZSA-N	236.358	4.895	0	10	BJAE	
CCc1cccc2ccn(CCCCC3CC3)c12	2220044904	HJIOUYSTDGANHC-UHFFFAOYSA-N	241.378	4.784	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)C2(C)CC3(CCC3)C2)C1	2221004459	FYEUAIHWMKVFHD-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CC2CCCC2)CC12CCC2	2223547300	DOXABCYQDHUHTB-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CCCC[C@@H]2C)C=CCC1	2223594034	KGMVYUONADFQNS-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@]1(CCC1CCCCC1)CNC1CCC1	2223607595	YEZRXTAGFJDTEF-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)c1sccc1C	2244781412	KBNRINJOPMYVTD-QWHCGFSZSA-N	239.428	4.533	0	10	BJAE	
CCCCC[C@](C)(O)CC[C@H]1CCC[C@H](C)C1	2246689452	AURWJHADIFEGSR-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
Cc1cc(Cl)ccc1NC1CC2(CC(C)C2)C1	2246850247	MCOXZXAMTKCKCP-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@H]1CCCC[C@H]1C	2247152043	XKPOLHUNLWTCSB-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](O)C1(C)CCCCC1	2247161442	AXNRYFBGNBZFLT-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1=CCCCC1)NCC	2247453933	FJVRKOHEOLVHFH-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@@H]1CCC1(C)C)NCC	2250355962	CVZPUIRMFQFLGG-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(N)C1(C)CC1	2250477028	SMIMOBFRWHIUCM-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CF)CCC[C@@H](C)CCCC(C)C	2250479804	YSXZINSUYABVRL-GJZGRUSLSA-N	245.426	4.567	0	10	BJAE	
CC1(C)CCC[C@]1(C)NCC1CC2(CCCC2)C1	2254082554	QJMIOBUBOVWJGC-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(N)(C2CC3(CC(C)C3)C2)CC1	2254463991	WHKIBXCVMIKYAZ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)[C@H]1C[C@H]1C1CCCCC1	2254955040	QYEXCWHVNHPYOY-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CCCCc1ccc(NC[C@@H]2CCC2(C)C)cc1	2254966797	CRGYBENASJFZPC-HNNXBMFYSA-N	245.410	4.877	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@@H]2CCCC23CC3)C1	2255231721	CJDVFSNISXXFOT-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@]1(CC[C@H]2CCCC23CC3)CCCN1	2255324551	YNEVPIFYMCZGPL-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1c(F)cccc1CC	2256140209	SOJWNNBZIGUYKZ-UKRRQHHQSA-N	249.373	4.769	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	2257283417	MVNPYFDQJOZJBI-HNLJFRNMSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](c1ccccc1)C1CC1	2259478350	PTBIADDJVHINMN-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
Cc1cccc(NCC[C@H](C)CCCC(C)C)n1	2259680638	FQRBZVOWSTWVNG-CQSZACIVSA-N	248.414	4.654	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@@]12CCCC[C@H]1CC2	2260486266	JAFPLZAJLQWTIX-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(NC[C@@]23CCCC[C@H]2CC3)C1	2260554024	LRKIEDMFXCYRLY-XGHPGWEVSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2ccn(C[C@]34CCC[C@@H]3CC4)c2c1	2260576781	AXHGOFGISIMYIG-NVXWUHKLSA-N	239.362	4.530	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@@]12CCC[C@H]1CC2	2260636705	COJDAZUTUJHIOI-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@]12CCCC[C@@H]1CC2	2260656186	FOJZAHRJOUIEKY-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](c1cccc(C2CCCC2)c1)C(C)(C)C	2260674624	ODYSZUFZBNGRGG-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCC[C@H](C)NCc1c(C)c(C)c(C)c(C)c1C	2263142424	FRFSHWBHOJOOTJ-NSHDSACASA-N	247.426	4.507	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](C[C@@H]1C[C@H]1CC)NC	2297876259	KFGXZXSORCMXNY-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC[C@@H]1C[C@H]1CC	2298135810	BYWDBDPLLJIKOC-BZUAXINKSA-N	239.447	4.571	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)C1CCC(C)(C)CC1	2298949804	PXIGXAMGGZONBD-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](CCC(CC)CC)NCC	2300675194	BTVUKGXGFKTYBS-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCCCC1(F)F	2300682639	ASZAYFKIEKHODO-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC(=CCN[C@H]1CC[C@@H](C)C1)CCCC(C)C	2300864549	BVFQKDMPBKYBCT-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(=CCC(=O)[C@H]1CC[C@H]1C)CCCC(C)C	2300920826	KGOURDMMRSQXIY-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](CC1CCCCCC1)NC	2301138817	AGKBYYUQLCUKGC-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H]1c1csc([C@@H]2CCCC2(C)C)n1	2302262387	LMKCSLSUGHQKMJ-QWRGUYRKSA-N	249.423	4.950	0	10	BJAE	
C[C@@H](CC(=O)CCCC1=CCCCC1)C1CC1	2302355705	DZVATUPUFPCTFL-ZDUSSCGKSA-N	234.383	4.662	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)[C@@H](C)C(C)C	2302360574	CESDJAUUDKPONY-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCCCC1=CCCCC1)CC(C)C	2302361987	UCWXOZSONFBRAW-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H](CC2CC2)C2CC2)c1	2303792891	UABIKAVMIIPQPA-AWEZNQCLSA-N	249.785	4.639	0	10	BJAE	
CC1(C)CC[C@H](CCSc2ccccc2N)C1	2304431994	QFFYMBBOCFXMEQ-GFCCVEGCSA-N	249.423	4.577	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CC[C@H]1CCC(C)(C)C1	2304433564	DDMJBBMFGIONIS-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)C2CCC2)c1F	2307573109	ZRFAXDBUECVELV-LLVKDONJSA-N	235.346	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@H](CNC(C)C)C1CCC1	2307928571	MYUHJDKDTXURKJ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1	2308127638	ZWDGFIQNTCJCMY-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@]12CCCC[C@@H]1CCC2	2308255319	VMCPZAKMSMHDMT-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
c1ccc(NC[C@H]2C[C@@H]3CCCCCC[C@@H]32)cc1	2309182546	RWVAAPWYCBYKMQ-UXLLHSPISA-N	243.394	4.705	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312908225	WAMHSZDAILXUFM-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312936222	KNTPIVMCNJZZGN-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC(=CCN[C@@H]1CCC[C@@H](C(C)(C)C)C1)C1CC1	2315275270	YXIIUJQOJWGBKJ-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN1CC2(CCCC2)C1)CCCC(C)C	2316513378	QUCYSCHSSRVGEX-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC(=CCC(=O)[C@H]1CC2CC1C2)CCCC(C)C	2316534128	ARAUAHBMTCSMTA-GPANFISMSA-N	248.410	4.764	0	10	BJAE	
CCC(C)=CCC1(N)CC2(CCC(C)(C)CC2)C1	2316559472	HQMKAOMUJHLEJF-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
NC[C@]1(CC2CCCCCC2)CCCC12CCC2	2316876122	RVXFIEASHCYRCB-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316885053	OFEANQOHNOFLIL-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316885145	PLHACPUJZXGSLO-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@H](CCC1=CCCCC1)NCC	2317906748	KECXOFMBRCBUCP-QGZVFWFLSA-N	247.426	4.768	0	10	BJAE	
CC(C)c1ccc(F)c2c1NC[C@@H](C(C)(C)C)C2	2317947967	ZUIATLHBHNJACG-NSHDSACASA-N	249.373	4.579	0	10	BJAE	
C1=C(CCCN2CCCCCCCC2)CCCC1	2318586069	FEIOVDLZRIWJIP-UHFFFAOYSA-N	249.442	4.923	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C[C@@H]1CCC(C)(C)C1	2319025052	UIWVUTGGICPVLC-LSDHHAIUSA-N	245.410	4.520	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)(C)C1)[C@@H]1C=CCCC1	2319310976	ACZXEJRYUFPWHK-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@@H]1CC12CCCC2	2320156767	WZUXWDIDJGFZKH-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)CC1	2320234904	YQACCXYHVROVHG-MAURAIGZSA-N	249.442	4.536	0	10	BJAE	
CC1=C(C)C[C@H](NCCC2CCCCCC2)CC1	2320238914	ZPBRSFOFQFKFEE-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@H]2CCC(C)=C(C)C2)C1	2320394373	OXOGZHYJQKUBMY-ODZFXCKXSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H]2CCC(C)=C(C)C2)C1	2320410669	AMMNOQDTQXTTBZ-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)C[C@@H]3CCC[C@@H]3C2)C1	2321650490	UEPUJJQLGKCHLB-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](F)c1cccc2c1NCC2	2328281402	HQXXUKGJRIZLDN-SWLSCSKDSA-N	249.373	4.882	0	10	BJAE	
Clc1ccc2c(c1)oc1c(Cl)cccc12	5845607	DMOBGFAKTSXOHG-UHFFFAOYSA-N	237.085	4.893	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@H]1Nc1ccccc1F	19980285	NEPDZTPBDBYPOE-JSGCOSHPSA-N	249.373	4.843	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccc(F)cc2)c(C)c1	21818863	GNPGKIULLSZTQA-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
Cc1cccc(NCC[C@H](C)c2ccccc2)c1	34540817	GFOFANKIHWGRFA-HNNXBMFYSA-N	239.362	4.601	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(C)cc1Cl	37245143	FCIYFOJSOOETJD-NSHDSACASA-N	225.763	4.639	0	10	BJAE	
CCC1CCC(O)([C@H]2CCC[C@H](CC)C2)CC1	71153192	ULYJKGOPYOJMTM-PYBGIAKNSA-N	238.415	4.534	0	10	BJAE	
C=CCCCCc1ccc2ccccc2c1	77863247	MPZPXAHIKCCGNM-UHFFFAOYSA-N	210.320	4.739	0	10	BJAE	
CC(C)CNCCCCC[C@@H](C)c1ccccc1	78783046	XKGBDMFEMGAJTN-MRXNPFEDSA-N	247.426	4.596	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1cccc2ccccc12	79904328	ZTIXTCLMBTWUCW-CXAGYDPISA-N	241.378	4.537	0	10	BJAE	
CCCCCCc1ccccc1Br	80389630	XKYWOQMOQMYGGL-UHFFFAOYSA-N	241.172	4.572	0	10	BJAE	
CCCCCC[C@H](C)NCC1(C)CCCC1	82619159	VQQSWWNIMLUYAM-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@@]1(O)CCC[C@H](C(C)C)CC1	83520736	OEQUICAPKBZHLM-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCCCC[C@@H]1C	88510333	ZLPIDDYAIAUQCO-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](C)CC1(N)CCC(C(C)(C)CC)CC1	103930658	PFODPJCOQUHERJ-HLIUYOAVSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC1CCCCC1	103942136	MMQLPYJGLOCZQY-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)C[C@H]1C[C@H](C(C)(C)C)CCC1=O	109655070	QJBYYSGPYXYPRY-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1ccc(C)cc1C	109784792	CYGMLHSPPTZEMI-HOCLYGCPSA-N	234.383	4.553	0	10	BJAE	
CC[C@@H](NCC1(C)CCCC1)c1ccc(C)cc1	111619285	YYXSHMPGDFTPGS-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCCCC[C@H](NCCC)C(CC)CC	124896851	UFBUUKWGSHTQKJ-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCC(CC)C[C@H](NC)c1cc2ccccc2o1	127735483	MRTRVGYBGYKAOY-AWEZNQCLSA-N	245.366	4.520	0	10	BJAE	
Cc1c(C(C)(C)C)cc2ccccc2c1C	137382288	MCMMWNLQNQBDDP-UHFFFAOYSA-N	212.336	4.754	0	10	BJAE	
Cc1cc([C@@H](N)C2=CCCCCC2)ccc1Cl	138199277	AGWBQPRHADLYEW-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)c1ccccc1	158137542	RPMJYZAXEMIRLE-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
CC(C)CCCNc1ccccc1C(C)(C)C	165249512	KMFBGJJOCAJZOT-UHFFFAOYSA-N	233.399	4.832	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1C[C@@H](C)CC[C@@H]1C	221668823	PURZUDZREBYWEM-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H]1CCCC1(C)C	226866711	QLDBZLBIAVEXLA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC[C@@H](C2CC2)C1	227920454	ATXBWRQTVXYHMS-DZUCGIPZSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)(C)C)[C@@H](C)CC	228811832	ZWHJNKXYQWBZND-BBRMVZONSA-N	247.426	4.681	0	10	BJAE	
CCC[C@H](C)C(=O)c1cccc2ccsc12	229329281	VOAVWCCUQSNNKJ-JTQLQIEISA-N	232.348	4.520	0	10	BJAE	
CC1CCC([C@@H]2CNc3c(Cl)cccc32)CC1	232863750	OGBHESLUNLKFTK-XIVSLSHWSA-N	249.785	4.675	0	10	BJAE	
CSc1ccc(N[C@H]2CC(C)(C)C[C@@H]2C)cc1	235055688	RRXKURJQIAIUSQ-FZMZJTMJSA-N	249.423	4.645	0	10	BJAE	
CC(C)C[C@H](C)CC1(CN)CCC(C)(C)CC1	302256562	BAWXTCDZDNQJSX-AWEZNQCLSA-N	239.447	4.604	0	10	BJAE	
CC1(C)CCC[C@@](O)(CCC2CCCC2)CC1	302269349	QXGHBXNRKSGCRA-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cc2cccc(C)c2o1	302306463	FMJMLNSMWVWHRI-LLVKDONJSA-N	244.334	4.750	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC1CCCCCC1	304312887	BFWFCBFBVLREKG-CYBMUJFWSA-N	225.420	4.514	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](O)CCC1CCCC1	305905372	CNLJSYZHLUHNSQ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC[C@H]1CC[C@H]1CNC(C)(C)C	305949407	UGCGPRJTWDZARM-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@@H](CC)CC(C)C	308088978	ZZJZVUMXJRUJBK-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](NCC(C)(C)C1=CCCC1)C1CCCCC1	308752653	CPIDHZWYWUGHIL-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C(=O)c2cc3cccc(C)c3o2)CC1	310630453	MKHFLFYUCFSMJV-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CC(C)C1CCC(C[C@@H](N)c2ccccc2)CC1	310719974	HUWWXNLCAUPLRC-VMBOVVBDSA-N	245.410	4.539	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C(C)(C)C1CCC1	322481708	UHDLXTRCPLPHQK-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](c1ccccc1C(C)C)C1(C)CC1	381162790	HHASQVSHRZJDCG-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1sccc1F	381247192	NMGDNDFWYOIYAD-SNVBAGLBSA-N	242.359	4.676	0	10	BJAE	
C/C(=C/CCCCC(C)C)C[C@H]1CCCCN1	383113471	APPGZUNXMNGYQL-DDITZMBXSA-N	237.431	4.681	0	10	BJAE	
CCCC1([C@@H](CCCC(C)(C)C)NCC)CC1	383451013	JTCUPWMAIGQQCO-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC)CCC[C@@H]1CCC[C@@H](C)C1	383647588	GTCLHBUZUKOHON-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CC1(C)CCC1)C1CCCCCCC1	383705103	SQYHHCVRJJHPGU-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccsc2Cl)C1	387210248	JLCRZBOJFQPUCC-NXEZZACHSA-N	243.803	4.782	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H]2C[C@@H]2CC(C)C)c1	388106629	XVNAODOXPDJZCE-JKSUJKDBSA-N	244.378	4.504	0	10	BJAE	
CCNC/C(=C/C1(C)CCCC1)C1CCCCC1	394695157	SGSMKTCWJZBKOD-SSZFMOIBSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](C[C@H](C)c1ccccc1)C(C)(C)C	395024824	OIJDGCGJMZUKJE-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CCCCC[C@@H](C)NCCCC1CCCCC1	395240967	VOBBFQHFBIYFBH-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCc1cc2ccsc2c(C(F)F)c1F	396232135	BPLCWSDAYUICEB-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCOc1cc(C(F)F)c2sccc2c1C	396244787	OLGZXNZANDEHQC-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCCNCC1(CC2=CCCC2)CCC(C)CC1	401068231	IITLXGASXHTFHB-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)CC1(C)CC1	401578895	WHHYRVQTUXLNNR-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCNC[C@]1(C[C@H]2CC=CCC2)CCC[C@@H](C)C1	402151918	OFOJMQJKSSYDHH-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C[C@@H](O)CCC1CCCCC1)C1CC1	405765687	AOCWSMFSDHLIRW-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccc([C@@](C)(O)CC2CCCC2)cc1	689777324	KDIMVNUUCPHCNS-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCCCC[C@@H]1C	691083216	UOSXRYQTAWNEGR-SMDDNHRTSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CC2CCC1CC2	691153131	QMSOJSHFQFOPML-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N[C@@H](CC)C(C)C)cc1Cl	691252331	QMDNIVPVWIYMMK-AWEZNQCLSA-N	239.790	4.749	0	10	BJAE	
CC1(C)CCC(CN[C@@H]2CCCC3(CC3)C2)CC1	695717907	RWMCMAUSCXUHNF-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC1CC1)NC1CCC(C2CCC2)CC1	696075244	BWAABCNIHYWVKU-AQFXKWCLSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)c1ccc(C)cc1C	696595447	VLENDDBORZICID-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1(C)CCCCC1	696636284	VAVIEYURXIODNA-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1ccc(CC)cc1	697771412	UFIAVYYVVJQDLX-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CCCNC[C@]1([C@@H]2CCCC[C@@H]2C)CC=CCC1	704833974	FVKULZZKGBCNGN-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCCc1cccc([C@](N)(CCC)C(C)(C)C)c1	704929621	PNBXWIJJGFTSGU-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C1CCC(C)CC1	704960741	ZFNMLOAWOSPXAM-GYTBAZASSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCOc1cccc2sccc12	705066926	PEBPZESZBQKVAO-UHFFFAOYSA-N	234.364	4.716	0	10	BJAE	
Cc1ccc(N[C@H](C2CCC2)C2CC2)cc1Cl	705302196	HVJLAGSDPBATHD-OAHLLOKOSA-N	249.785	4.639	0	10	BJAE	
CC[C@@H](NC[C@@H](C)CC(C)(C)C)c1ccccc1	709121814	GGZHQTPPEOQURC-GOEBONIOSA-N	247.426	4.800	0	10	BJAE	
CC[C@](N)(C[C@@H](C)CC(C)(C)C)c1ccccc1	709140010	FBMKTSNISRNSGK-YOEHRIQHSA-N	247.426	4.713	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H](C)CC(C)(C)C)CC1	709142048	IYQVOKMWGRPSNR-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(O)CCC2(CC1)CC2	709164025	JXCJLCKMCKJZKM-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@H](O)C(C)(C)C1CCC1)CC(C)(C)C	709170762	XESRVMJDZIVLIG-TZMCWYRMSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@H](C)CC(C)(C)C	709233147	DQTUZSUKXKOOOY-CHWSQXEVSA-N	226.404	4.700	0	10	BJAE	
CCCC1(CN[C@H](C)[C@]23CCCC[C@@H]2C3)CCC1	709246602	NKBKXOQZEOFXOY-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H](C)C(C)(C)C)NC	711107315	INKULQSLQYGZCP-ZFWWWQNUSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC1(CNC(C)(C)C)CC(C)C1	713158390	FROYIMUKKUVYTJ-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)NC[C@]1(CC(C)(C)C)CCCC[C@H]1C	713310010	DRJRDOVFZUDCQV-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCNCC1(C2CC3(CCC3)C2)CCCCCC1	717586758	ZOEFRXSEPVYQNW-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1cc([C@H](C)NC2CCC=CCC2)c(C)s1	718128264	HUNLYNWZYAKCCN-LBPRGKRZSA-N	249.423	4.514	0	10	BJAE	
CCCN[C@@H](c1ccc(C)c(C)c1)C1(C)CCC1	720707375	KDJCJHAEBQMOGS-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)C1(C)CCC1	720775242	YUBCYUYKDSUCFQ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
N[C@]1(C2CCCCCC2)CC[C@H]2CCCC[C@@H]2C1	723613698	QXAINCNVDROJIL-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc2scc(Cc3cccs3)c2c1	821291211	NNZSCMRINJJLQA-UHFFFAOYSA-N	244.384	4.862	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1cccc(C2CCC2)c1	1560855853	DXEQFOINTFQXEQ-BLLLJJGKSA-N	229.367	4.555	0	10	BJAE	
CC(C)(C)C1=CCN(CC2CCCCCC2)CC1	1642602845	JWEHXPYVUPAOLT-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCC[C@H](C)N(Cc1ccccc1)C1CCCC1	1880409986	WSRTYLYELZHKCY-HNNXBMFYSA-N	245.410	4.620	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)[C@H](C)CC(C)C	1905385119	ZOWFFHIJKJMLHB-ILXRZTDVSA-N	228.420	4.636	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@]1(N)CCCC(C)(C)CC1	1908551531	GEQYLWRBRUMIKQ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC=CCN[C@@H](C)c1ccc(CCC)cc1	1914681463	DZJLBNUSJLNAED-HNNXBMFYSA-N	245.410	4.646	0	10	BJAE	
CCC(C)(C)CN[C@H]1CCC2(CCCCC2)C1	1915855310	PJTQZOPXWBELIU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@]1(C)CN[C@@H]1CCC2(CCCCC2)C1	1915862831	JDHWTKFGBDFRHS-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@@H]1CCC2(CCCC2)C1	1916443586	YXXILEOMKZGCLF-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc([C@](C)(O)C[C@@H](C)C(C)(C)C)c(C)c1	1919933033	DCYNKDJTZWISTM-RHSMWYFYSA-N	248.410	4.583	0	10	BJAE	
CCCCCC[C@](C)(O)C(C)(CC)CC	1919958506	IMXOJBLSHLOLQO-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)c1cccc(C(C)C)c1	1920206592	MLASXYCNOPCQGH-WMLDXEAASA-N	247.426	4.810	0	10	BJAE	
CCCCCC[C@@](C)(N)c1ccc(C(C)C)cc1	1920440885	QNICCBNCVVCYTJ-QGZVFWFLSA-N	247.426	4.954	0	10	BJAE	
CCCc1ccc(C(=O)C2CC(C(C)C)C2)cc1	1921285187	CXGHZKQQCXZAFB-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC(C)(CC[C@@H](N)[C@H]1CCCC12CCC2)C1CC1	1921616489	BVDBPNJMDWQFSL-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1CCC[C@H]1C	1925892683	PKDDTGHLRYTGRG-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]([C@@H](CCC)C(C)C)[C@H](C)CCC	1941262252	BELJWSMVGJHOHH-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CC1(C)CCCC1)NC	1941266006	YVUOSDYDAROVBZ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CCC1CCC1)NCC	1941269553	SAHVJTLHPLOBKN-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@@]1(C)NCCCCCC1CC1	1941594927	GQEJPZKMTVVTCK-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)C1(CN)CCCCCCC1	1942660679	UNEGRPIOYZQLIR-OAHLLOKOSA-N	239.447	4.748	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@@]12CCCC[C@@H]1CCC2	1944141748	JNZQQNASKZDLPE-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944199822	QENXSDMBTVZRPM-NPJQDHAYSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCNC1(C2CCCC2)CCC1	1945294287	TZLVWAHANTXIAJ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CCC(C)(C)C1	1945602059	ZJQKLMPCGIZDJY-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](CC)(CNCC)[C@@H]1CCC1(C)C	1945747318	IJCBOUZDRNVOHW-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)c1cccc2sccc12	1945970587	QHEYXSDLSSORLH-CQSZACIVSA-N	247.407	4.583	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCCC2(CCCC2)C1	1946455277	LYJZVUVHTFJGSV-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCCCCCC(C)C	1947466685	UHBKRNRTFYPZGG-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C=CCCC1)CC(C)C	1947594329	XDJSCMZHRFJVCG-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1CC(C)(CC)C1	1948406714	DNDJZSKBWYEPTO-HLIUYOAVSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CN)CC12CCCCC2	1950602680	UAAARXZCPAISDX-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@@H]1CC12CCCC2	1950668535	NHCZDEFJJNPXPU-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1C(C)=CCC[C@H]1C	1950981216	WYCKCDZMCHXAHO-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H]1CCCC2(CCC2)C1	1968330466	ZGUZGZXRAOMPLV-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCc1cc(N[C@H]2CCC[C@@H]2C(C)C)ccc1C	1969678935	GHCXEIBEBYQXDV-SJORKVTESA-N	245.410	4.794	0	10	BJAE	
CC1(C)CCC[C@@H](NC2(C3CCCCC3)CC2)C1	1970596261	USKVVOWUGBNSSM-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H]1CCCCN1C[C@H]1CCCC2(CC2)C1	1970603159	AIIDONZAGNEYPG-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@H]1CCCC2(CC2)C1	1972153112	AZLVBUMGHIIWMI-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(NC[C@@H]2CCCC3(CC3)C2)C1	1972181049	CKEGDSSLGIIAIR-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1cc(C(F)F)cs1	1983699651	UKNBTCGOWORCCR-SCZZXKLOSA-N	247.354	4.512	0	10	BJAE	
CC=CCCC[C@H](O)C[C@H](CC)C(C)(C)C	1984608908	YTSWLAPCFCBRTD-KBPBESRZSA-N	226.404	4.556	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1c(C)sc(C)c1C	1985603956	GGWALGOKGRZNCJ-CYBMUJFWSA-N	240.412	4.533	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)C[C@@H](C)C(C)C)c1	1988289066	CNVMVXAZXCEIPU-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
CCCC[C@@H](CC[C@H](C)C(C)C)NCCC	1988309939	OPTWEVUZINSCSE-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)c1ccsc1	1990099156	TZHHSWOSBFVZNZ-OCCSQVGLSA-N	239.428	4.758	0	10	BJAE	
CCC/C=C/CN[C@H]1CCC[C@H](CCC)CC1	1995875943	ZUJQLLGJOQXVKV-MIVXPEEVSA-N	237.431	4.681	0	10	BJAE	
CC[C@](O)(C[C@@H]1CC[C@@H](C)C1)C1CCCCC1	1996553076	OAZXGIISQNSGBP-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)C1CCC(C)CC1	1996561856	PSOMIMMHGBCRQD-GRAKBVBRSA-N	239.447	4.760	0	10	BJAE	
CC(C)CC(=O)[C@H]1CCCC2(CCCCC2)C1	1996648205	WVWUGTKSWKGEMP-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@H]1CCC=CCCC1	1999987580	HKWUVWAYGUBLMW-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC[C@@](O)(C[C@@H]1CCC=CCCC1)C(C)(C)C	2000011777	PTNPVUZGTZRDMY-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CN([C@@H]1CCCC(C)(C)C1)C1(C)CCCCC1	2000158414	LCPAKGNVEIPDEQ-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CC1(C[C@@]2(O)CCCC[C@H]2C(C)(C)C)CCC1	2001142799	XYSINSUCMWPNQA-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H]1CCCCCCC[C@H]1O	2003115746	CZPPRVIZCTXODT-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@]2(C)C=CCCC2)C1	2003323778	GGOFZGHLIJSOKX-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
CC[C@H]1[C@@H](C(=O)C2(C)CCCCCCC2)[C@@H]1C	2004936533	ASGLXXDLBDXNTA-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H]([C@H]2CCCC[C@H]2CC)C1	2006672325	CQMFHHOBKHXCJV-NHIYQJMISA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)CCCC1(C)CC1	2007621461	CWFWCQZVJPDDNB-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC([C@@](C)(N)CCC2(C)CC2)CC1	2009552253	OKAKNTKVSLTLGE-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCC2(CCCCC2)C1	2009576690	ISUWLFNMQHCEBI-KZSQQDEKSA-N	235.415	4.565	0	10	BJAE	
CC=CCCC[C@@H](N)[C@H]1CCCC(C)(C)CC1	2009598590	PKUCDKMGSAMSRM-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C1(CC)CCC1	2009628895	PAFBJRIJCLUQGG-NFBGWVBBSA-N	237.431	4.681	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CCCCCC12CC2	2011271789	MXTINIYJXNHPNV-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H]1C[C@H](CCCC(C)C)CC(C)(C)C1	2012064182	UBFCIHMZSGDGII-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC=C(C)C)CC(C)(C)C1	2012065765	XERAACXQWQFPCE-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(CN)CCCC(C)(C)CC1	2015410290	URBMDSXATBBFJO-ZBFHGGJFSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](NCCC)C1(CC2CC2)CCC1	2015752996	LZQZAARXSIXFNZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC=C([C@@](C)(N)CCC=C(C)C)CC1	2016117518	PDXGZZXXKFZCSZ-HOCLYGCPSA-N	235.415	4.587	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](C)[C@@H](C)NC(C)C)CC1	2017723246	SROOJHOSDSJQME-KLHDSHLOSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CCC[C@@H](N(C)CCCC(C)(C)C)CC1	2019322732	FIBZSILPKSRURV-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCN(CCCCCC(C)C)[C@@H](C)C1CCC1	2019343621	BVHVILNFYAXNPW-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@H]1C[C@@H]1C(C)(C)C	2022455390	VZNYEYZCQQIYKH-MELADBBJSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C(=O)C[C@H]1C[C@H]1C1CCCCCC1	2022553169	DKZPGPBUMOBTGS-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)CC1CCCCC1	2022557003	KLRVWHDXCXYJAA-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H]1CCC[C@H](C)[C@H]1CCCCCC(C)C	2024509813	IXYMHNBHYZUQSC-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)C1CCC(C)CC1	2026165387	AYRNXQDOKVFQRD-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
C1CCC([C@@H]2CCN(C3CCCCCC3)C2)CC1	2027027495	ZLCMRWDNZXFNFR-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc2c(ccn2CC2(C)CCCCC2)c1	2027276592	SILJEEZFWIVURH-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)c1ccccc1C(C)C	2027518658	UGQCWXNKBWCORN-PBHICJAKSA-N	248.410	4.916	0	10	BJAE	
O=C(CC1CCCCC1)c1cccc(C2CC2)c1	2028564011	ZNLCEOHYYCCCEH-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CN[C@@H](CCC1CCCC1)CC1CCC=CCC1	2028873253	WFPQGYRZCDQJPK-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H]2CCCC3(CCCC3)C2)C1	2034369868	ASQDRSWPLMBNSB-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
N[C@]1(C2=CCCCCC2)CCCCC12CCCC2	2037094832	UPMDWNBOYPVPJB-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2037171691	AQBNEHIAUVFPND-BBWFWOEESA-N	249.442	4.811	0	10	BJAE	
N[C@]1(C[C@@H]2C=CCCCC2)CCC12CCCCC2	2037273885	CWDYCIBCAJYLTJ-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CCCNC[C@@]1([C@H]2CCC(C)(C)C2)C=CCCC1	2037694510	MXXZPZBZSOQKKM-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](CC1(N)CC2(CCC(C)(C)CC2)C1)C1CC1	2038895427	PQCPNGZANABXBD-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CC1CCC2(CC1)CC(Nc1ccccc1F)C2	2038934893	WXLKSWPCGMZCGI-UHFFFAOYSA-N	247.357	4.597	0	10	BJAE	
CC1CCC2(CC1)CC(NCCCC1(C)CC1)C2	2038935516	UHLSHKSBERVXNP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C2(N)CC3(CCC(C)CC3)C2)CC1	2038940700	NUGBSKJMNPYAMZ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@]1(C)CC=CCC1	2042015457	AGWPSAAEHPJHIY-DLBZAZTESA-N	243.394	4.556	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@@H](C)CC1)C1CC2(CCC2)C1	2043547024	MOOIKSOPDQGQML-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@@H]1CC(C)C	2043688245	YUCIFBSHQRKOKL-HZPDHXFCSA-N	245.410	4.794	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)C[C@H]1CCC=CCCC1	2045320029	JJVCOGGYRUAGSF-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)C1(C)CCCC1	2045320941	QVENGMHKVDDESY-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@H](N2CC=CCC23CCCCC3)C1	2045522870	SLSRHXJQJMMCFR-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@@H]2C=CCCCC2)C1	2045556238	UXVHBRXSWLVOFI-NUEKZKHPSA-N	246.394	4.684	0	10	BJAE	
C[C@@H](CC1(N)CCC2(CCCCC2)CC1)C1CC1	2045658814	WSTFSQHSHQGKSU-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@H]1C=CCCCC1	2045999903	JNMJIRVTCQYSOE-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](C2(N)CC3(CCCCCC3)C2)C1	2046233408	NKSHORIUVZHDIA-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@@H]1CC12CCCC2)C1CCCCC1	2047020467	PTPSXTGQTLMESR-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@H]1CCC12CCC2)CC1(C)CCC1	2047940532	VTSXUMGCSYPHMV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(CC(=O)CC2[C@@H]3CCCCC[C@@H]23)C1	2048470868	XNRHXLBOFQABQN-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(CC1CCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049212591	UAEDJULAKWZCCG-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1C(=O)CCC1CCC(C)CC1	2050451885	YPJYBMMHKXUKOT-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CC(C)=CCC(=O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2	2051382862	ZHOOWHCRZJUNTC-JCAIJIATSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1ccc(F)cc1C	2051406200	VDDKMOAZGSJUTQ-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CN(CC1(C)CCCC1)C1CCC2(CCC2)CC1	2051646010	PNCVSALUOJQJID-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@@H]2CCCCC23CC3)CC1	2053332037	MEDIQHXBSKKRQV-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1(CCC(C)=C(C)C)CCCC12CC2	2053355206	IOAGCZPXWMROAN-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC(C)NCC1([C@@H]2CCC[C@H]2C)CCC=CCC1	2055274542	GZVGFTFOBUNLDH-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(C)(C(=O)CC2CC(C3CC3)C2)CC1	2056665936	KGCFZLXSZVXSRL-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(C=C2CCCCC2)CC[C@@H]2CCCC[C@H]2C1	2056908920	YNTUCDGTHKSKTM-ULQDDVLXSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](NC)C2=CCC(C)(C)CC2)C1	2061087574	GUGCEQPIZJOMES-KBMXLJTQSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)C2CC3(CC3)C2)c1	2064498445	SNFAHGVMFXFYHP-CYBMUJFWSA-N	243.394	4.801	0	10	BJAE	
CCCC1CCC(N[C@@H](C)C2CC3(CC3)C2)CC1	2064500723	DVJHSMATFMMSBB-HLIUYOAVSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC12CCC(CC1)CC2)C1CCCC1	2065306994	BNFAPTWJQHYXOO-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CCCCC(C)(C)NCc1cccc(C2CC2)c1	2066382756	ITUQRFAVGYQGQR-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
CCN[C@H](C[C@@H]1CC12CCC2)C1CCCCCC1	2069202666	PLNGTZZGPFHVIG-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)C[C@@]23CCC[C@H]2C3)C1(C)C	2070956425	VWAFBJYZLTWEAD-GFOFROLCSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CNC(C1CCCC1)C1CCCC1	2072411072	KKFJXCJQOPEVHU-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCCCC23CC3)CC1	2072795039	ZYGGQGQQSOJGBJ-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2ccc(CF)cc2)CC1	2072806336	KYBIOYPJXZGRAK-CTYIDZIISA-N	249.373	4.784	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@]2(C)CC=CCC2)CC1	2074644083	NAPONSDJZLIRKV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCc1ccccc1[C@@H](C)Nc1ccccc1F	2081219164	QIRYFYBKTZHBJR-GFCCVEGCSA-N	243.325	4.561	0	10	BJAE	
CC(C)(C)NC[C@@]1([C@@H]2C=CCC2)CCCC1(C)C	2081682005	LMOGVOXJLQNLQE-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC=C(C)C)C[C@@H]1C[C@H]1C1CCCCC1	2081781141	SCMNOYOZGAXKLO-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CNc2ccc(F)cc2CC)CCC1	2081952214	XMKWYFHSLYOLSH-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
Cc1cc([C@H](N)C[C@H]2CCCC(C)(C)C2)oc1C	2082978680	ISNNNGZQAUOHCB-ZIAGYGMSSA-N	249.398	4.503	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C/C=C/c1ccccc1	2210662699	SCZJFXZCEKEIJK-MWHIQHKOSA-N	214.352	4.916	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)C(CC)(CC)CC	2211594981	QDSGITGFZZQKPP-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
C[C@@]1(CCCCCCC2CC2)CCCCCN1	2213574828	YRKCYPSPQNIPOT-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCCCC1CC1	2214574295	SNLRAICNWJZJMR-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H]1C)C(C)(CC)CC	2214955119	LBDSVTGIIZGJKQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C(CCCC1CC1)CCNCC[C@@]12CCC[C@H]1C2	2218729857	DYIFUBRCAKEONF-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1C[C@H]2CCC[C@H]1C2	2218729977	BILSOQLIDJLPMF-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](CC)(CO)CC=Cc1ccccc1	2219044061	OFFUEORHUNTZQG-QGZVFWFLSA-N	246.394	4.669	0	10	BJAE	
CCC[C@H](C)[C@@H](CC=Cc1ccccc1)NCC	2219088151	OBSIQTYZTQYNJE-DOTOQJQBSA-N	245.410	4.504	0	10	BJAE	
CN(CCCCC1CC1)[C@@H]1CCCCC12CCC2	2220015372	DYVDJKUNTHFVLC-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](CCC1CC1)CC1(C)CC2(CCC2)C1	2221024185	ZBQGWKIKOWXTNN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2CC[C@@H]3C[C@H]3CC2)C1	2221090180	JRLLGMYYBAGWNC-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CNC[C@@]1(C[C@H]2CC[C@H](C)CC2)CC=C(C)CC1	2221666088	PMMMKQMZVJBWIV-XIRDDKMYSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@H]2C[C@@H]1C2	2222306836	JKHDMRJRWLVPDM-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)CC[C@H]1CNc2ccccc2C1	2223664429	XYPNYBPQWTWKOA-CQSZACIVSA-N	245.410	4.733	0	10	BJAE	
CC[C@](O)(CC[C@@H]1CCCCC12CC2)C(C)C	2246634906	VDZHFMUTFDXOEN-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)C2(C)CCCC2)C1	2246657641	UJSOOUCJAKGLRE-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@H](C)C1)[C@H](C)CC	2246728650	RBELDDWIGBPVHO-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@H]1C)CCC(C)C	2247172826	BMFVOPWFDDVSPJ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@@H](N)c1cc(C)c2sccc2c1	2248577656	KWAHHVQANXURLM-IINYFYTJSA-N	247.407	4.646	0	10	BJAE	
CC[C@H](C)C[C@H](CCCCC[C@H]1C[C@H]1C)NC	2248818677	DLLNQNFSAIOGOQ-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CNCCCCCCC1CC1	2250386671	WSCXYFXAJAINPR-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](CC)CNc1cccc(C(F)F)c1	2250389270	HVKRFTYACKXGMB-LLVKDONJSA-N	241.325	4.862	0	10	BJAE	
CCCCCCC(=O)C1CC(CC(C)(C)C)C1	2251544154	QMBHWWULXUOBOQ-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H]1[C@H](CC(CC)CC)CCC1(C)C	2251711241	HQKKEZYEYKTZEG-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)C[C@@H]1CCCCC12CC2	2253807553	CXGUNFLIPJXLDT-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@H]1CCCCC12CC2)C1CCC1	2253809759	KFPHXWMSOOOXCK-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@H]2CCCCC23CC3)o1	2253862245	IDYCVFSLFDXKPM-ZDUSSCGKSA-N	246.350	4.521	0	10	BJAE	
Cc1cccc(NCC2CC3(CCCC3)C2)c1F	2254084168	MFLNPRLXWXOXRK-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CC1(C[C@H](N)CC2CC3(CCCC3)C2)CCCC1	2254105616	QAQSLHFUIAHSLU-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CCC1CCCCC1)C2	2254487143	IJOBSGYFKGFZJY-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C(=O)CCCCC[C@H]2C[C@@H]2C)c1	2254516396	JURPGWIJSLNBSA-GJZGRUSLSA-N	244.378	4.784	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@H]2CCC23CCC3)CC1	2254843420	HMLHTBYDHZAHFF-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)Oc1ccc2c(C(C)(C)C)coc2c1	2257986999	WXNQBPRUQNQQES-UHFFFAOYSA-N	246.350	4.908	0	10	BJAE	
Cc1cc(NC2C[C@@H]3CCC[C@H]3C2)cc(C)c1C	2258237040	MIAREEVPYLTNTG-GJZGRUSLSA-N	243.394	4.602	0	10	BJAE	
CN(C[C@@]12CCC[C@@H]1CC2)C1CCCCCCC1	2260563537	ACXSZYKOBWONNO-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@]12CCCC[C@@H]1CC2	2260578007	JFMNDOKJHQIKAJ-NVXWUHKLSA-N	246.394	4.807	0	10	BJAE	
NCC1(C[C@@]23CCCC[C@@H]2CC3)CCCCCC1	2260650103	BCNMWRLETKAIRX-WBVHZDCISA-N	249.442	4.646	0	10	BJAE	
CCC(CC)CC[C@H](CCCC(C)(F)F)NC	2300673885	NVSGJGWSFDJLHP-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)CCN1C[C@H](C(C)C)CC[C@@H]1C	2300683496	KHWLNIPFDKNLGQ-GOEBONIOSA-N	239.447	4.569	0	10	BJAE	
CCC(C)=CC[C@]1(N)CCCC[C@H]1C(C)(C)C	2300899512	OVQUUZWFBASEFD-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
Cc1ccc2ccn([C@@H](C)[C@@H](C)C(C)C)c2c1	2301833332	QOLHMJLFTUVLDF-KBPBESRZSA-N	229.367	4.803	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCCC[C@H]2C[C@H]21	2302837161	SPGUADFWVVMUJB-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC(=O)C12CC(CC(C)C)(C1)C2	2304396026	HJNZNLLOWUGYFR-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CNC)CCCC1(C)C	2307894791	NSZHWUIAAOPGKG-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@]23CCC[C@@H]2C3)CC1	2310884208	MOPMROZCFQJEBX-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312879806	KKAPOOXVKSADGQ-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC=CC[C@H](NCCC)C1CC2(C1)CC(C)(C)C2	2316511092	YVCVZYCFNLUJNW-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@@H]1CCC12CCC2	2316886979	UBSALKXLWILYKG-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1cc(F)ccc1C(C)C	2317921903	DAXIHGSWGGZXQB-STQMWFEESA-N	249.373	4.797	0	10	BJAE	
Cc1coc(C)c1[C@@H](O)CCCC1=CCCCC1	2318579319	GGXJLDGCYKJERH-HNNXBMFYSA-N	248.366	4.601	0	10	BJAE	
CC[C@H]1C[C@H]1CCN(C)CCCC1=CCCCC1	2318580469	MJCYHHZOKOWEBW-DLBZAZTESA-N	249.442	4.635	0	10	BJAE	
C[C@@H]1CC[C@H](CN)[C@H](CCCC2=CCCCC2)C1	2318592912	NTMFDBRATFPLTH-DJIMGWMZSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)C[C@H]2CCCC23CC3)C1	2319125068	ZLAHVTJAZXRORV-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@@H]2CC3CCC2CC3)C1	2319125382	CFBWVAZKHINNHZ-OOJKYFRXSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CC[C@@H]1C1CC1	2319503180	WMHXKMYTCPALCR-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(N(C)C[C@H]2CC[C@H]2C(C)(C)C)cc1	2320302965	MSXIVMLPYJJCII-GDBMZVCRSA-N	245.410	4.504	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@](C)(N)C2(C)CCCC2)CC1	2320345441	AACZSCQHWOWQQT-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC(C)=C(C)C1)C1CCC1	2320415034	WSJOBRAMZKCCQJ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@H](C)[C@H](C)C(C)C)c1	2320526127	WFNFPTMQSUAJHK-CKEIUWERSA-N	247.426	4.738	0	10	BJAE	
CC(C)CC12CC([C@@](C)(N)C3CCCCC3)(C1)C2	2321595434	NXWBRBDIXJHMFU-GTPINHCMSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](c1cc(C)ccc1C(C)C)C1CC1	2327673741	SOHOAVNSQGBMCJ-KRWDZBQOSA-N	245.410	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H](C)c1ccc(C)cc1	2328279665	XRRPPZKOBHOXLM-ZOBUZTSGSA-N	248.410	4.676	0	10	BJAE	
CCCc1ccc([C@H](CC(C)(C)C)NCC)cc1	35550497	CBZYUGIMZLWJQC-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)c1cc2ccccc2o1	62797917	AJROIXVQOMNIAR-OCCSQVGLSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(C)cc1F	68986012	ZUJNBJDFRKFICT-LBPRGKRZSA-N	223.335	4.515	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(Cl)cc1	71126010	TXTCQYSDFYGQRU-LBPRGKRZSA-N	239.790	4.968	0	10	BJAE	
C[C@@H](c1ccccc1)c1ccc(F)c(Cl)c1	75841841	OIWXERRDRLPKOL-JTQLQIEISA-N	234.701	4.631	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NC1CCC(C)(C)CC1	79676691	WKROFXPGESDFGV-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC[C@H](NC)C1	80412393	YJWRVSUZFIADHA-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](CCC(C)C)NCCC	82434293	AVVTYMKMRADWRX-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)CC1=C[C@H](O)CC(C)(C)C1	87323154	XUUINMDOXBQUTE-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](NCCC)c1sccc1Cl	87622452	QXGNIKYKHSSUFV-NSHDSACASA-N	245.819	4.632	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1/C=C/CCNC(C)(C)C	93674139	HTGWTDSEBNUWOP-OFCDUSSDSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)C1CCCC1	103943407	PODUHIRDVYTZRU-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CCCC[C@@H]1C(C)(C)C	103949576	VVEXWHVHFIXJRN-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCC1(N)CCC(C(C)(C)C)CC1	109702883	HQWMXDGMXFFUJW-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)c1cc(C)c(C)cc1C	109944589	NBMMLHSHOBGTRV-HZPDHXFCSA-N	247.426	4.841	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Sc1ccc(C=O)cc1	123638463	GRHSUUXTPLFHNQ-HIFRSBDPSA-N	248.391	4.560	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC(CC)CC	128409250	SXLQEZLHZKGDDW-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCC(C)(C)C1	129204107	PEKZTQFUNHPXHS-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@H]1CCC(C)C	135186937	JADGZGHQCKRTKW-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CC[C@H](CNC(C)C)[C@H](CCC)C1	135188130	KIMNGODFWPSMKI-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC1CC(CNC(C)C)(C2=CCCCC2)C1	161454577	LJPNZUOTOGZEIJ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)CCC(C)(C)C)c1	168128519	TUIALNFIMJGPFT-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCNC/C(=C\C1CCCCC1)C1CCCCC1	211486544	IHOVUMUTLIUDOX-GHRIWEEISA-N	249.442	4.683	0	10	BJAE	
C[C@@H](Nc1c(F)cccc1Cl)c1ccccc1	225217068	OHMFWPHLYXILAD-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](O)c1ccc(C)cc1C	225399750	ZTFDOTVXWSXUPI-XIRDDKMYSA-N	246.394	4.553	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC(C)(C)CC)CC1	233300099	CDSJBYQZAWHOCN-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2c(C)cccc2C)C1	233931701	YCCCSJANHCNRFA-CABCVRRESA-N	244.378	4.703	0	10	BJAE	
CCCC[C@@H]1C[C@@H](C)CC[C@H]1CNC(C)(C)C	251267353	CNZWYKHBZHTMQU-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CSc1cccc(N[C@@H]2[C@@H](C)CCC[C@H]2C)c1	252175097	OUSDGQNXQCYYDM-JYAVWHMHSA-N	249.423	4.645	0	10	BJAE	
CCCC(CCC)[C@@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	252901674	LKBKKQFYHJUQEL-BFJAYTPKSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)c1ccc(C)s1	300806070	FFLFBJFWOMJWDM-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1C=CCCCCC1	310059102	HFPPJNMNSUUURG-ZDUSSCGKSA-N	249.785	4.949	0	10	BJAE	
CCC1CCC(N[C@@H](C)CCC(C)(C)C)CC1	310225213	NAOZWFWQBIQWIU-NFOMZHRRSA-N	239.447	4.760	0	10	BJAE	
C[C@H]([C@H](O)c1ccc2ccccc2c1)C(C)(C)C	310697399	BIXBQJAZVDUPJH-WBMJQRKESA-N	242.362	4.555	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CCCCC2)C(C)(C)C	313030431	ITCSUAPUQKRWHF-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cc(C)ccc1Cl	313398614	QVFBWMJIIDCBNV-NSHDSACASA-N	238.758	4.657	0	10	BJAE	
CCNCC1(CCCC(C)C)CCCCCC1	317261089	MDNQTOAXWJNHSH-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)C/C=C(\Nc1ccccc1)C(C)C	380456849	LLTNTETURPEQEK-PTNGSMBKSA-N	217.356	4.685	0	10	BJAE	
CCN[C@@H](CC)[C@@H](C)CCCCCC(C)C	383391918	PAWLRWXIYMUKCF-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC1(Cn2ccc3cc(C)ccc32)CCC1	393852566	ZXPOSEUXNQWXDU-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCC(C)(C)CNc1ccc(OC(C)C)cc1C	394559409	GZRYJKKNBBPFLF-UHFFFAOYSA-N	249.398	4.630	0	10	BJAE	
C1CCCC(CCNCCC2CCCC2)CC1	394566038	ITYWKKNKBIOGJC-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCc1ccc([C@@H](O)C2(C)CCCCCC2)cc1	394673070	RUCPGGZKYFAZKS-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CC[C@@H](N[C@@H](C)CC(C)(C)C)c1ccsc1	395160510	ZSVBTAZLFVZPKY-WCQYABFASA-N	239.428	4.614	0	10	BJAE	
Cc1ccc(C(F)(F)F)c2sc(S)cc12	396311751	WBFIEURKESQMHI-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)[C@H]2CC2(C)C)c1	397579901	HGFGBVZXIFBWPK-IUODEOHRSA-N	231.383	4.657	0	10	BJAE	
C[C@H]([C@H](N)c1cccc2ccsc12)C(C)(C)C	399088308	AOWXWWIKEXAABL-MFKMUULPSA-N	247.407	4.583	0	10	BJAE	
CCCC[C@@](C)(O)c1ccc(C)c2ccccc12	399910180	HAOZSRILDJBXCM-QGZVFWFLSA-N	242.362	4.546	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)CC(C2CC2)C2CC2)C1	400816158	GLFOERANMMRASN-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CCCC(=O)CC(C1CC1)C1CC1	400917661	UOVCJQZZWHLXJQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@H](Nc1cccc(C2CC2)c1)c1cccs1	690164589	ORICFUUZJPCOIS-NSHDSACASA-N	243.375	4.799	0	10	BJAE	
CCCC(CCC)Nc1cccc(F)c1Cl	690268739	SUMQHKSGDPJVNB-UHFFFAOYSA-N	243.753	4.860	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@H]1CC[C@@H](C)C1	696803865	SSSLWZGNWUTPRE-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCC1	704977127	YQIUHYVPMIIJTG-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@H](N)CC(C)(C)C1CC1)CC(C)(C)C	709090932	QMLRTFKEESSPBO-GXTWGEPZSA-N	239.447	4.602	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@]23CCCC[C@H]2C3)cc1	709113404	OGAYRSZEPMOFEJ-UKPHBRMFSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](C)CC1CCC1	710272279	OFHMAYACVDNBAB-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC(C)(C)CC)CC1	713242321	ILOFWFDYLPDXMV-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC/C=C/C[C@H](CC)c1ccc(O)c(C)c1	714532638	RPFDWTZQHMKWKI-YBJDMEARSA-N	218.340	4.551	0	10	BJAE	
CCC1CCC([C@@H]2CCC(C)(C)CC2=O)CC1	717535053	SJTJHJVEHQETHN-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CC1CCCCC1)Nc1ccccc1	720991002	ZVMDQUAEKWUADU-HNNXBMFYSA-N	231.383	4.848	0	10	BJAE	
CCN[C@H](C[C@H]1CC12CC2)C1CCCCCCC1	722634805	YJBUPIOQLFGRTD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H](CO)C2CCCCCC2)CCCC1	829251408	JBFVQSMGMMXMNG-HNNXBMFYSA-N	238.415	4.536	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC(C)C)C(C)C)cc1	1461006516	HCJLRWNVBMWZFA-YOEHRIQHSA-N	247.426	4.895	0	10	BJAE	
C=C/C=C\CCN1CCCC2(CCCCCC2)C1	1615727661	BYFOLRTWVAWDPZ-ARJAWSKDSA-N	247.426	4.555	0	10	BJAE	
c1csc(CCSCC2CCCCC2)c1	1656240370	SDTFOXSKJAXEMK-UHFFFAOYSA-N	240.437	4.604	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNCC1CCCCCC1	1657966479	JSBLZDONLNPRLG-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
C/C=C/CCCCc1cccc(Cl)c1	1885375179	ZSAKUVKJVLKYJW-NSCUHMNNSA-N	208.732	4.629	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)c1ccsc1	1900858455	OVPPHMRHIJBMJD-AWEZNQCLSA-N	237.412	4.535	0	10	BJAE	
CCCCCN(C(C)C)[C@@H](C)[C@@H](C)C(C)C	1901722713	DFJAWGBKQCQCLV-GJZGRUSLSA-N	227.436	4.568	0	10	BJAE	
C[C@@H]1C[C@H]1CCCOc1cccc2sccc12	1908541713	ZOFXSQWMSIJONU-VXGBXAGGSA-N	246.375	4.716	0	10	BJAE	
CC(=CCl)CNc1cc(C)c(Cl)c(C)c1	1911622407	JDNWLUYZHGTNOC-UHFFFAOYSA-N	244.165	4.511	0	10	BJAE	
CC(C)C(C)(C)C=C1CCC[C@@H]1[C@H]1CCCCN1	1912042196	IFHICWYEGLTKGG-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@]1(CNC(C)(C)C)CCCC[C@H]1C	1912085014	GRPNGGQMVBKEHF-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C1(CN)CC2(CCCCC2)C1	1912578285	GIAIPSJWZNHNJD-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
Cc1cc(NC2CC3(CCCCC3)C2)cs1	1912720433	HGZPFCUVEZEXSE-UHFFFAOYSA-N	235.396	4.581	0	10	BJAE	
CC1(C[C@]2(N)CCC3(CCCCC3)C2)CCCC1	1915893281	PERJRJKHRHZJRG-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC(C)NC[C@]1(CC2(C)CCCCC2)C=CCC1	1916358533	AMJCSVQKWBIZOU-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@](C)(O)Cc1ccc(CC)cc1	1919972638	ITLRXWBUQKQWBT-QGZVFWFLSA-N	248.410	4.513	0	10	BJAE	
CCCCCC[C@](C)(O)CCCC1CCC1	1919980489	GGCSRRTYFYITCJ-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCCNCCCC[C@@H](c1ccccc1)C(C)C	1921320021	LJFXQHOISJPMNG-QGZVFWFLSA-N	247.426	4.596	0	10	BJAE	
CC(C)CC(O)(CC[C@H]1CC1(C)C)CC(C)C	1921551190	YOCJHOZEWUNNAV-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CCCc1csc([C@@H]2CCCC23CCC3)n1	1921614929	JJKMLFMNHCTDNG-LBPRGKRZSA-N	235.396	4.533	0	10	BJAE	
CNC[C@]1(CCC2CCCC2)CCCC12CCC2	1921626855	GTMDNAQIKRFFKV-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(CN)C1CCCCC1	1924097543	CECQSPYTRYKTPC-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@H](CC[C@H]1C=CCCCC1)NCC	1925935018	QWHFNZOEVZXDIJ-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(F)(F)C(C)(C)CC[C@H]1C=CCCC1	1932598701	NWBHEDQFSGKPNE-NSHDSACASA-N	216.315	4.804	0	10	BJAE	
CCC[C@](O)(CCCC1(C)CC1)C(C)(C)C	1935937882	TTWBLROVVLEKSW-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)CCC1(C)CC1	1940789843	GWAHOAZLEICVFL-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(=CCCCCC(C)C)C1CCC(N)CC1	1940972037	XNGMLVNBRBEKTM-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
C[C@H](CCCCCC1CC1)C[C@@H]1CCCCN1	1941591403	KULBBBTWYOHUCU-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1	1941878840	STBCFZVYFICJLG-QDMKHBRRSA-N	234.383	4.518	0	10	BJAE	
CC=C[C@@H](NCCC)C(C)(C)C1CCCCC1	1944640143	CLXZVILEZMETOS-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@H]1C)[C@H](C)CCC	1944844835	CKIDPAIDANNHTE-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CNC2(C)CCCCCC2)C1	1945604772	FLTHHLCIKQNVGJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@H]1CCC1(C)C	1945746196	FUDPYODAJZQHBU-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCC[C@H]1CC	1947466564	JUFFNPFLRFGLCV-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CCC(C)(C)C1CC1	1949033476	HGAQAPFUOVPEEX-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@](O)(CC)[C@@H]1CCC2(CCCC2)C1	1949453053	NKDMLVARDRERMA-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC(C)=C(C)CCC1(CNC(C)C)CC(C)C1	1950515731	YOGLOYDMXJFKHN-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CCC2CCC2)CC1	1950912750	AJRSDDWOIIAXMP-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC=CC[C@H](C)c1ccc(OCC)cc1CC	1951308739	MPSJZEFAFKDSIF-ZDUSSCGKSA-N	232.367	4.717	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCCC2(CCC2)C1	1968362252	ZBTBAFVVNIXADQ-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
Cc1cccc(OCC2[C@H]3CCCCC[C@H]23)c1C	1968364370	JRPUBNDSEZLXNM-GJZGRUSLSA-N	244.378	4.509	0	10	BJAE	
Cc1ccc(OC[C@@H]2CCC(C)(C)C2)c(C)c1	1968396608	NZKZBTBXFMOKKB-CQSZACIVSA-N	232.367	4.509	0	10	BJAE	
CC[C@@H](CN[C@@H](c1ccccc1)C(C)C)C(C)C	1973383068	BPNHJZPZXFRXPC-DOTOQJQBSA-N	247.426	4.656	0	10	BJAE	
Cc1sc(C(C)(C)C)nc1C1CCCCC1	1975979001	JEGKEEMTXBDMJK-UHFFFAOYSA-N	237.412	4.797	0	10	BJAE	
CCC(CC)C(=O)[C@H]1CCC[C@@H](CC)CC1	1976343052	SEWYQURBCAFCTJ-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CC=CCC1	1976667951	LFTRSYZEJMGIHL-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CCCN[C@H](CCC)c1cc(C(F)F)cs1	1977078128	HMXBXQNTGGSNHE-SNVBAGLBSA-N	247.354	4.527	0	10	BJAE	
CC(C)=CCCC[C@@H](O)c1ccc(Cl)cc1	1980679672	BPAFFMSLUUOHII-CQSZACIVSA-N	238.758	4.510	0	10	BJAE	
CCC[C@H](C)CC1(N)CCC(C)(CC)CC1	1981061289	SRYDJRHNFDGFHF-NFOMZHRRSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](CC)CCC(C)C	1986947819	JIGBRNQIGMJJTL-ZFWWWQNUSA-N	227.436	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1(CC)CCC1	1988426208	WHGOLHRRRPOEEY-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@](O)(CC)CC1CCC(CC)CC1	1989778286	PEMYMOSPJSYSKP-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)c1ccccc1Cl	1990092009	TZCOYVOQJKHULW-CQSZACIVSA-N	240.774	4.518	0	10	BJAE	
CCC(CC)(CC)CN(C)CCCC(C)C	1990815304	SVWCRUHUSBHFEP-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CC=C(CC)[C@H](CC(CC)CC)NCCC	1992046854	MUVBXWCFDXVESJ-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](C)C(=O)CCCCC(C)(F)F	1993605314	VTAIIMZCZSYCHB-LLVKDONJSA-N	234.330	4.597	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)C1(C)CCCCC1	1995991006	MCEZRYZPVPSNOC-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2=CCCC2)CC1	1997104320	JPEBBPIQYANQAT-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@]1(C)CCCC1(C)C	1997339924	BYUXQOWTNLWSNT-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H](C)CN[C@H](C)CC1=CCCCC1	1998380569	OVBWZSQFYPMROV-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)[C@H]1CCCC(C)(C)C1	2000036373	ZJOSQSIPOYLYJH-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@](CC)(CN)CCC1=CCCCC1	2000502554	OCAJTBJYLWKTSN-MRXNPFEDSA-N	237.431	4.812	0	10	BJAE	
CCCC[C@@](C)(CCC1CC1)CNC(C)(C)C	2000523988	UMQTZVYMXVKGCP-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCCC1(F)F	2001806224	JSEGGTCGPPKUTD-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C1CC(CC)C1	2002336022	QASYYJFTHODRRV-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](C[C@@](C)(N)C2CCCCC2)C1	2002921014	KOJAAJMHMOHXJO-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H](C)C1CCCCC1	2002935141	JTEWLXIFYPHZKY-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC[C@@H]1CC1(C)C	2004232090	SDQLSRBIMNQVJD-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCCCC12CC2	2005536308	LMWIYUCXYSUYQN-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CCC[C@@H]1C(C)C	2007622692	NVDDSVNYHDRMKI-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cnc(C2(C)CCC3(CC3)CC2)s1	2007698728	UPNTVCJEGILMLC-UHFFFAOYSA-N	249.423	4.878	0	10	BJAE	
CCCC[C@H](CCC1CC(CC)C1)NCCC	2007737879	JIBRVJZUWLUCQV-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCC1(CC)CC(N)(C[C@@H]2CCC[C@@H](C)C2)C1	2009303371	GPQKULRQZNZHSR-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@@H](CC1(C)CCCC1)NCC	2009616786	LZGRRKIBOFYLRB-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@](C)(N)C(C)(C)C)CC1	2010727899	ADVYMTVAWWYTSU-MLGOLLRUSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1CC(=C2CC2)C1	2011068822	SXTPLUNXNHLZJZ-ZDUSSCGKSA-N	234.383	4.662	0	10	BJAE	
C[C@H]1C[C@H]1CCCNc1cccc2ccsc12	2011578353	XYXKCDCGUXCYLA-WCQYABFASA-N	245.391	4.749	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011983036	NTTGKXDDFUNPJW-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](CNC(C)C)(C(C)C)C1CCCCC1	2012421241	JSRQHTOOYBHXPU-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H](C)C1(C)CCCC1	2014341351	YOKCRPLSXIFEPO-GJZGRUSLSA-N	239.447	4.760	0	10	BJAE	
CCN[C@@H](CC[C@H](C)C(C)C)CC1CCCC1	2015411470	GCAWUOAHBILJTI-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)C1(C(C)(C)C)CCC1	2017130332	ATLNGTSRPJWRLO-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CC[C@H]2C[C@@H]2C1	2018131350	NVRVKMKNDNTCTO-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)N(C)CCC(C)(C)C1CC1	2018181152	GSBBEUOYCGCJJJ-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCCCC[C@H](C[C@]12CCCC[C@H]1C2)NCC	2018567816	CEVKVGBUPJMWGT-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C2CCCCCC2)C1	2019200122	GITYHYJNFXRRKX-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CC1CCC(N2CCCCCCCCC2)CC1	2019309481	NIXVOUASGWNSAM-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)[C@H](C)CCC(C)C	2019409112	MSNQAGKRWKCQIO-CVEARBPZSA-N	241.463	4.958	0	10	BJAE	
CC1(CNc2ccccc2C2CCC2)CCC1	2021026758	DGMLTSGKUZVCRM-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CCC)CC(C)(C)C	2022484349	OHMDHSZGMPQWRZ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCC[C@H](CC)C1	2022560453	OPYPPSMFUGFLJZ-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CNC(C)C)C[C@H]1CCCC(C)(C)C1	2024093897	FXOBVNVYFWDNPP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@H]1CCCC(C)(C)C1	2024104718	XEJNEGXVSCIXAD-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CC(C)(C)CCC1=O	2024124765	OSAFFJVAVALDCL-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(O)CCC(C)(C)C2)C1	2024128093	KBNSQPRVAOZFGO-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C1CCCCCC1	2026167928	WBZYUCSAZGDUAK-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H]1CC[C@H](C)C1	2026170981	TYANATJGNUBFAY-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)c1ccccc1C	2027313808	JKGXCFZYCYTFJW-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@H]1C)c1ccccc1C(C)C	2027517875	LRQZGRMHVVWGBU-JKIFEVAISA-N	245.410	4.507	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)c1ccc(C)o1	2028634731	UJVMKSLSVCOWSU-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@@H]1CCC[C@@H]1C	2032506640	PTLHXCWJOSOGIX-GRDNDAEWSA-N	245.410	4.636	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@H]2CC[C@H](C)C2)cc1	2033404319	SNVMGBWSGRBSTJ-BBRMVZONSA-N	244.378	4.504	0	10	BJAE	
CCCNC[C@]1(C[C@H]2C=CCCC2)CC[C@@H](C)C1	2035603983	XWGITJBUDKEGMR-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC1(C[C@]2(N)C[C@H]3CCCC[C@@]3(C)C2)CCCC1	2036661621	QVUPKPDDPUCHDX-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)CCN1C[C@H](C2CCC2)CC[C@@H]1C	2036781698	TYEUBMBBNFBPEG-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)c2cccc(C(C)(C)C)c2)C1	2037672204	LIFAUTAPRLNMFZ-TZMCWYRMSA-N	244.378	4.603	0	10	BJAE	
CC1CC(C)(CNc2cccc(C3CCC3)c2)C1	2038889386	DDDHLBMMYVNMNI-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NC1CC2(C1)CC(C)(C)C2	2039462871	YNVOUQMMMHTRJV-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@@H](C)C23CCC(CC2)C3)c(C)c1	2039860909	ZTNXFHYOTRFBLF-UQPPLGOBSA-N	243.394	4.684	0	10	BJAE	
C[C@H]1CC[C@@H](CC2(N)CC(C3CCCCC3)C2)C1	2040170318	VUFOTGPWQHOHDN-HOBHPSKFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](NC)c2ccccc2)CC1	2041379748	NHADITPAGLLJKY-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@@]1(C)CC=CCC1	2042022037	NOEOJXCVZOFJED-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CNCC1(C[C@@H]2CCC=CCCC2)CCCCC1	2045320258	LHGJOOUFUAWXOA-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
C[C@H](c1ccccc1)N(C)[C@H]1CCCC(C)(C)C1	2045529401	LWKYZKOAXSHHKK-ZBFHGGJFSA-N	245.410	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CC(C)=C[C@H](C)C2)C1	2045559643	BFYQGEVPIDOZRB-DRPJVOAASA-N	248.410	4.764	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@H]1CC(C)=C[C@H](C)C1	2045780062	ROCQZQPAGZUZCP-IAOVAPTHSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](C)(CCC=Cc1ccccc1)CNC	2046003190	VVWKZWRSMATHPL-QGZVFWFLSA-N	245.410	4.506	0	10	BJAE	
C[C@@H](NC1CC2(CCCCCC2)C1)[C@H]1CC1(C)C	2046235507	MAJTXCLWXHDBEQ-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2C[C@@H]3CCCCCC[C@H]32)C1	2047428416	YFTWQSXGOJWHPV-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2C[C@@H]3CCCCCC[C@H]32)C1	2048616277	HULCJIRDJYMEPE-VQPKISINSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C1CCCCC1)N(C)C[C@@H]1C=CCCCC1	2049426919	GVNDBACZZBQMTD-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC2(CC2)C1)C1CCCCC1	2049849640	RTRCWDLFKQKAGM-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)CC2CCC3(CC2)CC3)C1	2049850003	UWHDWQLFQZSPJT-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1CC1)C[C@@H]1CCCC2(CC2)C1	2049853371	DTZSWUFYVSEGMD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)[C@]1(C)C=CCC1	2050009654	YYCANJNKQMIKKA-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1cc(C)cc(C)c1	2051409182	OVYJGMQLSXRFKM-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCC1(CC)CCC(NCC2(C)CC=CC2)CC1	2051597623	YBPJTAGSDRCQTD-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@@H]1CCCCC12CC2	2053412682	QCGCPRFKODIGIM-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H]1CCCCC12CCC2	2053414914	DHITXKXENMYHHG-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CCC=C[C@@H]1Nc1ccc2ccccc2c1	2055577150	XAFQNMGLUSAXLB-GUYCJALGSA-N	237.346	4.606	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@H]1CC12CCCC2	2056450703	MLFJMMSLOBGSGH-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC1(C(=O)CC2CC(C3CCC3)C2)CCCCC1	2056674636	BTOILPBQTSEYNB-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
O=C(CCCCCC1CC1)C[C@@H]1CCC[C@@H]2C[C@@H]12	2057354551	QLZXGWFAFVQQHL-UXLLHSPISA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@H](NCC)c1ccc(F)c(C)c1	2059225584	ORHDZUCSPBSDEJ-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC(C)(C)[C@H]1CC=C(CC(=O)c2ccco2)CC1	2061196448	RCQOTFYQHMUNBE-ZDUSSCGKSA-N	246.350	4.625	0	10	BJAE	
CCCCN(CCC[C@@H]1C[C@H]1C)c1ccccc1	2062629292	DLXBLQRKBVVECB-HZPDHXFCSA-N	245.410	4.729	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2CC(=O)CC3(CCC3)C2)C1	2063717070	YYZBYNLSDQTAOV-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@]12CC[C@H](Nc3ccc(C4CCC4)cc3)[C@@H]1C2	2065657395	MRZBBNPARHRVNJ-YESZJQIVSA-N	241.378	4.555	0	10	BJAE	
C[C@@H]1C[C@@H](CC2CC(C)(F)C2)c2ccccc2N1	2065817808	RFSZHQITFYMZTM-ZMDMRTEPSA-N	247.357	4.503	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2[C@H]3CCCCC[C@H]32)CCCC1	2067531014	VZAXTGOGRSFWRL-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NCC(C)(C)C1=CCCC1)[C@H]1CCC1(C)C	2068280410	KYAUHPFBXNPMQL-DZGCQCFKSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)c1ccc(C(C)(C)C)cc1	2068822887	MVKQEKRWIZTHQR-CJNGLKHVSA-N	247.426	4.666	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](O)c1cccc2ccccc12	2068846409	YMCCYYYBNRNINJ-GUYCJALGSA-N	242.362	4.555	0	10	BJAE	
CCC1CCC(NCC2(CC3CCC3)CC2)CC1	2069580535	KEOPGNLRJBCFKP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@]23CCC[C@@H]2C3)cc1	2070791547	XHLDPLHFTCRISS-LXZKKBNFSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1C)C1=CCCCCCC1	2071509357	AZSLHJGOQGGSBJ-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CCCN1[C@@H]1CCC2(CCCC2)C1	2071963225	UDMWMMQHMKIHNK-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@@H]2C=CCCCCC2)CC1	2072703220	WYRAOUVKKATFFQ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(c2nc3ccccc3[nH]2)CC1	2072705097	WVLJKXOUCWSCHU-UHFFFAOYSA-N	242.366	4.637	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)C=CC[C@@H](C)C2)CC1	2072876259	YFUXJULHSGPMMA-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCCC1(C[C@]2(N)CCCCC23CCCC3)CC1	2074623195	FRLRHDKLKGIZMB-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC(C)[C@@H]1CCCCN([C@@H](C)c2ccccc2)C1	2074793503	WSFWTVLJYOVKFP-DOTOQJQBSA-N	245.410	4.506	0	10	BJAE	
CC(C)(CCC(=O)[C@H]1C[C@H]1C1CCCC1)C1CC1	2079471982	CJPVWIQITANEKO-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1C(=O)C[C@H]1C[C@H]1C1CCCCCC1	2079851276	KHMQOHHXCJCFSC-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@H](CC)c1ccccc1	2079865197	NWWNXOIVYOGUPY-OWCLPIDISA-N	244.378	4.576	0	10	BJAE	
CCN[C@H](C=C1CCC1)[C@]1(C)CC[C@H](C)C1(C)C	2080245795	YSGCVQKXJWUHCO-LXZKKBNFSA-N	249.442	4.537	0	10	BJAE	
CC(=C[C@H](C)C1CCCCC1)[C@H]1CC[C@H](N)CC1	2082130944	RNGMTWRYWWKEHW-JQFCIGGWSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](CC)N(C)Cc1cc(C)cc(C)c1C	2082948334	GJXXUPMKTRFLHC-KRWDZBQOSA-N	247.426	4.622	0	10	BJAE	
CCC1CC(C[C@H](O)c2cccc(C(C)C)c2)C1	2084877403	HZKWASGPTPXHQE-KVULBXGLSA-N	246.394	4.670	0	10	BJAE	
CCCCC[C@@](C)(O)CC1(C)CC(C)(C)C1	2211617382	IKFNHULCQQNVGX-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)=C(C)CCOc1cc(C)cc(Cl)c1	2212530505	FNWSGARPKLGIDB-UHFFFAOYSA-N	238.758	4.774	0	10	BJAE	
C[C@@H]1CC[C@@](C)(NCCCCCCC2CC2)C1	2213577170	YXVVVXISAPLEHL-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@@H]1CC[C@H]1C	2214927568	VTNQSKUQOFGBFP-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)[C@H]1CCCC(C)(C)CC1	2215107186	YXNLVILEIBKSSD-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCCC(C)(C)Nc1ccnc(C(C)C)c1	2215268102	CAGQHCZTANRPIQ-UHFFFAOYSA-N	234.387	4.586	0	10	BJAE	
CCCC[C@@](CC)(CCCCC(F)F)CNC	2216432943	ILOJLDFOTBHXER-AWEZNQCLSA-N	249.389	4.618	0	10	BJAE	
CC[C@H](C)C[C@H](CN[C@@H](C)CC)C1CCCC1	2217127282	HCKCEOBEBQLXQR-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC1(N)CCC(CC2C[C@H]3CCC[C@H](C2)C3)CC1	2218327855	NOWNZFBMKDBNJW-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218350412	LIJLTHQABAQUEO-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218382867	OFJNQXOMTZCKCE-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)C[C@H]1C[C@H]2C[C@H]2C1	2218724810	KKXNESYPHIWKAZ-PHZGNYQRSA-N	248.410	4.742	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@]12CCCC[C@@H]1C2	2218732351	QTBYRBLYNBPPDR-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
Cc1cc(C)c([C@H](N)CCCCC2CC2)c(C)c1	2220030194	JTQQJURFDQWDMW-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)[C@@H]1CCCCC12CCC2	2220879287	PJMSNVJAILXOEX-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC(C)(C)CNc1ccnc(C(C)C)c1	2220883885	WNNRXTSEUZNOGS-UHFFFAOYSA-N	248.414	4.689	0	10	BJAE	
CCC1(CC)CCCN1CC1(C)CC2(CCC2)C1	2221077225	CNUPTQHLRGGITI-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCCC[C@](N)(CC)c1c(C)cc(C)cc1C	2222006911	OKVKXFALXPCFMU-QGZVFWFLSA-N	247.426	4.756	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)CC1CCCCCC1	2222011509	MTHVEXVEVFQVMT-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC2CCC2)CC12CCC2	2223551683	ADPJQPKZUFDIFH-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
C1=C(Cc2cc3ccccc3s2)CCCC1	2243236883	IJGBAEXIDPKEDD-UHFFFAOYSA-N	228.360	4.944	0	10	BJAE	
CC[C@H](O)[C@@H](C)CC[C@@H](C)CCCC(C)C	2244846206	ZPQUMNPAUDCLLM-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC1(C)CC(C)C1	2246583867	HOOPUEBEXGJMNN-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC[C@@H]1CCC[C@@H](C)C1)CNC(C)C	2246663806	GQOHESMWPNLOAE-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H]1CCCCCC[C@H]1O	2247164713	KCEFSGOUIMDOIS-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@]1(O)CCCCCC1(C)C	2247423487	WVLMRHGCALCMEG-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1CC[C@H](N)CC1CCCCC1	2247430921	HDPTVNXCZARCKH-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H](C)[C@H]1CC12CCC2	2248283723	QLEUCTRENYBFLA-DGCLKSJQSA-N	249.785	4.639	0	10	BJAE	
CCCC(C)(C)C(=O)CCCCC[C@@H]1C[C@H]1C	2248818192	ZYNVLHIXXQNNFD-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C[C@@]1(C)CCCN1	2250483171	YMUQWFWZBDFDKG-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@@]1(C)C[C@H]1C	2250485018	JFCHGJUNAAARGQ-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@H]1C=CCCC1	2250494321	AROHEXMHTPEKIK-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCCN1CC[C@@H]1CCCCC12CC2	2253853109	JVBZRJAMUHMLTI-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2CNC3(CCCC3)C2)C1	2253972854	RIKVYUKTDIPMHT-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC2CC3(CCCC3)C2)C1	2254120205	PHNHOPNCAQOJGT-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
NC1(CC2=CCCCC2)C[C@@H]2CCCCC[C@H]2C1	2255142664	YYFQKADJGSKKLQ-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)C1(C[C@](C)(N)[C@@H]2CC23CCC3)CCC1	2256460120	VFWRCXNTMGMBQM-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(OCCCCC[C@@H]2C[C@H]2C)cc1C	2257244492	BPFOTSUBFUSUMO-HZPDHXFCSA-N	246.394	4.899	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCN(C)CC1=CCCCC1	2257283602	NFPCEHYJAVJJAM-RDJZCZTQSA-N	249.442	4.635	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2CCCC2(C)C)c1	2257908508	QSOBJGANDGOHLN-HNNXBMFYSA-N	245.410	4.975	0	10	BJAE	
CC(C)CCCCCCNC1C[C@H]2C=C[C@H](C1)C2	2257938518	ITQDUEYBNKMRQB-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(N[C@H]2CCCC(C)(C)C2)cc(C)c1C	2258232918	IIVKRICJNYQYAF-HNNXBMFYSA-N	245.410	4.993	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCNCC12CC2	2259613265	IHKDKLGPKHEOOT-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C(C)CCN(C)C[C@]12CCCC[C@H]1CC2	2260570362	PFUPBXFGLDADEK-DLBZAZTESA-N	249.442	4.635	0	10	BJAE	
CCCCCN(C)Cc1cccc(C(C)(C)C)c1	2261362359	JLRVVQXLGSSGIL-UHFFFAOYSA-N	247.426	4.606	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@H]1CCC[C@@H](C)C1	2300472131	NTIJCIOFXVRACI-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC1CC(C(C)C)C1	2300499551	ALFORNHIXYHIHU-GPANFISMSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](O)CC2(CCC2)C1	2300686645	SWBXTCMHRDKXRG-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2300875426	VJBMJHQPWQADSD-QDMKHBRRSA-N	234.383	4.518	0	10	BJAE	
CC(=CC[C@@H](N)[C@@H]1CC1(C)C)CCCC(C)C	2300880928	PNXUXKSOSKSFIF-LSDHHAIUSA-N	237.431	4.523	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C(C)(C)C(C)(C)C	2300908683	GRTLPPSKKPPZBE-AWEZNQCLSA-N	239.447	4.783	0	10	BJAE	
CC1(C)CCC[C@@]1(CO)CC1CCCCCC1	2301240958	FARMGSMLEHIWSX-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)[C@@H](C)[C@H](C)C(C)C	2301845203	WKPLSZFPBCNUQL-QKPAOTATSA-N	242.447	4.594	0	10	BJAE	
Cc1ccc(CCCC2=CCCCC2)cc1F	2302345433	SEZJQKRIISCQKF-UHFFFAOYSA-N	232.342	4.957	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)CC2CCCC2)C1	2302749542	YUGPZFUCPGIZMK-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(C[C@H]1CC[C@@H]1C(C)(C)C)C(C)(C)C	2303487576	OCUNMGOQNPDTMA-WWGRRREGSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC[C@@H]1CCC(C)=C(C)C1	2303597585	RQFLESVVZZBLJW-APHBMKBZSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(N[C@@H](CC2CC2)C2CC2)c1Cl	2303738940	WYUKQGAPDOHDNI-AWEZNQCLSA-N	249.785	4.639	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@](C)(O)C2(C)CCC2)C1	2304390292	KZXYXLVGNUYUOZ-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CN(C)CC[C@H]1CCC(C)(C)C1	2304394338	PVYZVTHONRGCDA-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCCC(=O)C2)C1	2304426394	VEUOIUNOKHFVGD-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)CN1CCCC(CC)(CC)C1	2307747866	UDHNFBUIJSWSID-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](CC)CC1(CNC)CC(C)(CC)C1	2307844094	PXFQEFNQRPOAGU-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CC[C@@]12CCC[C@@H]1C2)C1(C)CCCC1	2310375287	UIDZWVTUZVSYQQ-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	2311479174	HMMHNCGITSLYQI-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
O=C(CC[C@@H]1C[C@@H]2CC[C@H]1C2)CC1CCCCC1	2312953663	DBUZBSVTJFOQLY-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCCC1	2313185531	VJSFCCNYJCUMLZ-XUWVNRHRSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(C[C@@]12CCC[C@@H]1CC2)[C@@H]1CC1(C)C	2313349023	QSOHPTKZAPMOHH-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	2313597353	ASKBGGZPMAIBJH-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N(C)[C@@H]1CCC12CCCCC2	2313607736	FGBLRLOTOKTLFG-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
C[C@H](CC1CCC1)Oc1cccc2c1CCCC2	2313669486	SYEDZBFORYPGFH-CYBMUJFWSA-N	244.378	4.523	0	10	BJAE	
CCC(CC)CC[C@](C)(N)CCc1ccccc1	2316277384	JVMGJFZELFAMAE-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H](C)c1ccccc1	2316504015	SSJDVBSQDHYNJC-DOTOQJQBSA-N	245.410	4.515	0	10	BJAE	
CCCN[C@H]1C[C@H]2CC[C@@H](C2)[C@@H]1CC=C(C)CC	2316531636	HQEHPFSFYKJHJL-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CCc1ccc2cc(OC)ccc2c1	2316570139	HOALTBQIRQJUIB-UHFFFAOYSA-N	240.346	4.747	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)C[C@H]2C=C[C@H]1CCC2	2316659705	WDSNNPOIVKJRCX-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
COc1ccc2ccn([C@@H](C)[C@H](C)C(C)C)c2c1	2317987508	ZBVUCCBHOGXIQS-OLZOCXBDSA-N	245.366	4.503	0	10	BJAE	
C1=C(CCCN2C3CCCC2CCC3)CCCC1	2318596630	BNWHAIZHXDDNDX-UHFFFAOYSA-N	247.426	4.674	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C[C@H]1CC=CCC1	2318878281	OIGYZDSZCQRUPK-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)c2ccccc2F)C1	2319107486	BWXYLIQATJSPSO-GFCCVEGCSA-N	248.341	4.615	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2CCC(C)(C)C2)CC1	2319132848	DPXRKIXRSNNRLK-YOEHRIQHSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CNC3(CCCCC3)C2)C1	2319136948	XOMGSPIQGIQYKH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(NC[C@H]2CC[C@@H]2C(C)(C)C)ccc1F	2320239659	GGLCXIQMVRHYIV-OCCSQVGLSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CC[C@@H]2C(C)(C)C)CC1	2320410430	DOUBIISDYXWOPW-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@H](CC1CC1)C1CC1	2320810853	KAANXHWEMWACLY-IAGOWNOFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC2(N)CC3(C2)CC3(C)C)C1	2321638918	FYZSWTOTGRRNKR-NVPAJSRCSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1C2(CCC2)C12CCC2	2328290305	DEAKCPDFGNDISX-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCCCCCN[C@@H](C)c1cc(C)sc1C	21009182	DATOJYIPFIBLOA-LBPRGKRZSA-N	239.428	4.596	0	10	BJAE	
CCCCc1ccc([C@H](C)N[C@H](C)CCC)cc1	21811459	RYOOEMJXYSKUHR-CABCVRRESA-N	247.426	4.868	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)C2CCCC2)cc1	35469267	VACIBHJJKFIKEL-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CN[C@H](CC1CCCCC1)c1cc(C)ccc1C	35489586	RBYUPBAZHZKGAQ-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC(C)C[C@@H](C)N[C@@H](C)c1ccc(C(C)C)cc1	37118035	CPQPRGNHCKDUAX-CABCVRRESA-N	247.426	4.895	0	10	BJAE	
CC[C@@H](Nc1ccc(Cl)c(Cl)c1)C(C)C	37200400	HDAIBRSWCRPUPP-GFCCVEGCSA-N	246.181	4.840	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)c2cccs2)c(C)c1	37763560	PUYSLSBWJFYCTJ-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1ccc(Cl)s1	40257907	FWABUWPRWGOWSO-SKDRFNHKSA-N	246.803	4.651	0	10	BJAE	
CC(C)CC[C@@H]1CCCC[C@]1(O)c1ccccc1	62722907	LLPLCMCXEWXFPO-IRXDYDNUSA-N	246.394	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)c2cc(C)cc(C)c2)C1	71154007	NWGHLCVHYXUPRR-VYDXJSESSA-N	246.394	4.553	0	10	BJAE	
CCCCCCc1ccc([C@H](O)CCC)cc1	74370198	CRWZFYXOTMKNEK-MRXNPFEDSA-N	234.383	4.643	0	10	BJAE	
CC(=O)CC(C)(C)Cc1ccc(C(C)(C)C)cc1	84415912	PCWRFCCKTHGBNL-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
C[C@@H](Nc1ccsc1)c1cccc(Cl)c1	85527546	DJJZKOVBLOARAB-SECBINFHSA-N	237.755	4.575	0	10	BJAE	
CC(C)C1CCC(CN)(CCC(C)(C)C)CC1	87961061	NIMMPPVVATZZBT-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](NCC)c1ccc(C(C)(C)CC)cc1	90483491	WWJPHOCLCJUMHU-INIZCTEOSA-N	247.426	4.825	0	10	BJAE	
CCC(CC)[C@@H](C)NC1CCC(C(C)C)CC1	111665086	MTFOSJUREUZCNC-IUDNXUCKSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](C)c1ccc(C)cc1C	111666050	IGDAGERQCDUFDI-GJZGRUSLSA-N	247.426	4.779	0	10	BJAE	
CCCN[C@H](CCC(C)C)c1cccc(C)c1C	112894570	QIHLOPPUULEUJH-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](CNC(C)(C)C)CC(CC)CC	128392190	TUNZARMMFLQSNW-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@H](C)[C@H](NCC)c1ccccc1	128628189	BLWNKCCXRIJONN-UXLLHSPISA-N	247.426	4.800	0	10	BJAE	
CC(C)(C)CC[C@H]1CCC[C@H]1CNC(C)(C)C	155442352	MSHTYHRCGMNECO-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)CC[C@H](CNC(C)C)c1ccccc1	155726975	XQJKGORPGKFSIB-NVXWUHKLSA-N	247.426	4.595	0	10	BJAE	
CCC[C@@](O)(CCCC(C)C)c1ccccc1	165581617	TWFXJGVVQLNRGO-MRXNPFEDSA-N	234.383	4.501	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](C2CCCCCC2)C1	167554311	MWSPJXXJICOSLG-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(-c2ccc(C)c3ccccc23)ccc1O	199580008	XVEWPFLVCYBSLB-UHFFFAOYSA-N	248.325	4.829	0	10	BJAE	
CC(C)c1ccc(CN2[C@@H](C)CCC[C@H]2C)cc1	199886957	OTNBBTOYFCQPEF-GASCZTMLSA-N	245.410	4.573	0	10	BJAE	
CCC(C)(C)COc1ccc(C(C)(C)C)cc1	201416640	WGOIWDAXXRUOAH-UHFFFAOYSA-N	234.383	4.799	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)c1cccc(C)c1C	229340057	RMOYEUIGHWKABL-UAGQMJEPSA-N	245.410	4.520	0	10	BJAE	
CCCCCCN[C@@H](C)c1csc(Cl)c1	232935018	JVYBTWCZIIZOIS-JTQLQIEISA-N	245.819	4.632	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)c1csc(Cl)c1	233288057	BYCRYMGBUTWHLA-GXSJLCMTSA-N	245.819	4.631	0	10	BJAE	
CCC[C@H](NCC(C)(C)C(C)C)c1ccccc1	233357185	BRSFHBSZFVNKGZ-INIZCTEOSA-N	247.426	4.800	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1CCC[C@@H](C)C1	251244542	AKPVOUKIENGTCX-UGUYLWEFSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@H]1CC	252953978	QKKPGMYCJHOOQY-RRFJBIMHSA-N	225.420	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1ccc([C@H](C)CC)cc1	253200408	BXBVDQUEFPZGEN-VBQJREDUSA-N	247.426	4.897	0	10	BJAE	
CC(C)(C)[C@H]1c2cc(Cl)ccc2CC[C@H]1C#N	260586664	MGLRFFVJXONXBF-SMDDNHRTSA-N	247.769	4.556	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@@H]2CC)ccc1C	302282960	JHPOXHUUTKBPDY-XJKSGUPXSA-N	231.383	4.548	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](CNC(C)(C)C)C(C)(C)C	302559339	LVSKGVVORUHINE-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)C)C1(C)CCCC1	305914761	GMYCNYSWCPRQKU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC1(C)CCCC1	308031634	OSJLBVRFKKXHIP-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CCC1CCCC1	308061545	SIRRDGLBTXAKBG-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CSCc1ccccc1-c1cccc(C)c1	309493961	CCIXSIBWVUZFJW-UHFFFAOYSA-N	228.360	4.525	0	10	BJAE	
CCC1CCC(O)(C[C@H]2CCC[C@H](C)C2)CC1	310113155	GFFMISYRGXNUKG-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(NCc2csc(C)c2)cc1C	310315209	UXOYAGNGGJPISM-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCC[C@H](CCC[C@@H]1CCC[C@@H](C)C1)NCC	310486549	GAWLJMROYHBTLE-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCC[C@]1(CNC(C)(C)C)CC[C@@H](CC)C1	317774233	BWBFTMUVMPEWGH-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1csc(Cl)c1	378999447	XYNVUNSKKTYHJR-SNVBAGLBSA-N	245.819	4.618	0	10	BJAE	
C[C@@H](Nc1ccccc1C(C)(C)C)C1CCC1	379040247	SPOVQNSUWDEXQU-GFCCVEGCSA-N	231.383	4.585	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CCC1CCCCC1	380148854	RMKKXNSGWPZNHS-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC2CCC1CC2	382045512	VKISFOYQTCLYKM-PUJMQQBBSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]([C@@H](C)CC(C)C)C1	383693089	QWZPHTFDXYHQJW-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)c1coc2ccccc12	384547736	ILUDSICSFBMGNQ-SWLSCSKDSA-N	245.366	4.505	0	10	BJAE	
C[C@H]1CCC[C@H](C)C1Nc1ccsc1Cl	387306048	ZKJIFNLKHAOHAD-IUCAKERBSA-N	243.803	4.638	0	10	BJAE	
CC(C)CC1(CN[C@@H]2CCCC23CCCC3)CC1	391883165	VDQIHUKZCYDZMY-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](O)(CCC)C(C)(C)C	395403618	DCBJZOSSHGOCGW-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@@H](C)CCC2CC2)c1	398045390	SQWUEUOJPUAQFK-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CCC[C@@H]1C	402119335	ASUDBZAVAMSZEO-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)C(CC)CC	688355281	GNSNIXKUCGQFBU-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCCC(F)F)NCCC	689057559	KJRZDCKNJSWNPR-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
C/C(=C\Cl)CNc1cc(C)c(Cl)c(C)c1	690249037	JDNWLUYZHGTNOC-SOFGYWHQSA-N	244.165	4.511	0	10	BJAE	
Cc1cc(NCCCCCF)cc(C)c1Cl	690257834	ZWZPOXYEEMVXNJ-UHFFFAOYSA-N	243.753	4.509	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@@]12CCCC[C@H]1C2	693564511	GRVIVJYLVKPWJV-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc([C@](C)(O)CCC(C)(C)CC)cc1	696684556	QMXBLZDJMHHWQJ-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CCC(C)(C)CCNc1ccc(C)cc1C	696703350	NQDOECDMVMFOMN-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@H](C)C(C)(C)C	697760107	XULXIOZHIGWBQQ-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@@H](C)C2CCC2)cc1	701355087	VBPWWAZOFAPOMA-GDZNZVCISA-N	246.394	4.670	0	10	BJAE	
C[C@H](C(=O)CC1CCC(C)(C)CC1)C1CCC1	703215315	KZNIEUUNSPOVPK-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CCC1CCCCC1	704855689	RGSIDZFBLHYFAY-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@@H]2CCCC[C@@H]2C)CC1	704988159	WLKHTDZDAFKHDJ-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(OC[C@H](C)CC(C)(C)C)c(C)c1	709106569	FIKZDNBVDVWRGG-CYBMUJFWSA-N	234.383	4.755	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@@H](C)CC(C)(C)C	709198263	FQSGMIUOGMNPCN-ZFWWWQNUSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H](C)CC(C)(C)C)C1	709255675	AMZZTCIJSRVGJG-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CCSc1cccc(NCC2(C)CCCC2)c1	709742140	DXYSREYRTPSVLZ-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CC[C@@H](Nc1csc(C)c1)c1ccc(C)cc1	710712295	ZFYCEGUHIJVSGM-OAHLLOKOSA-N	245.391	4.928	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC[C@@H]2C[C@H]2C2CC2)C1	714856732	NBNMNTVRUWGURT-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC1(C(=O)C2CC3(CCC3)C2)CCCC1	717510157	SMHFQEHXMQRNRP-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(O)c(C)c(-c2cc(Cl)ccc2C)c1	718345397	HNBLQQBMDBXWAT-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1O	718530654	FBVXMTBSRINPAI-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCC(C)=C(C)C)C1	719176359	OMIKOCPWNKADKD-HUUCEWRRSA-N	236.399	4.908	0	10	BJAE	
CCCC1(CNC[C@@H]2C(C)=CCC[C@H]2C)CCC1	1474068983	FXXOKOWATGXBQF-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CCC1(CC)CCN(C[C@@H](C)CC(C)(C)C)C1	1615861481	HWWUGFQPEFCNNU-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCC1(CC)CCC(NC[C@@]23CCC[C@@H]2C3)CC1	1621079780	NTTVBZZTSYKNLC-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)S[C@H](C)c1ccccc1F	1652626162	BYZZYMQDSDJGTQ-WDEREUQCSA-N	226.360	4.809	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc([C@@H]2CCC(C)(C)C2)n1	1905266876	GLRMATYAMWDQPD-GMTAPVOTSA-N	235.396	4.560	0	10	BJAE	
CC(=CCCNCC(C)C)CC(C)(C)C(C)C	1911833392	LBMACZLIPOZKEJ-UHFFFAOYSA-N	239.447	4.641	0	10	BJAE	
CC=CCC1(CNCC)CCC(CCC)CC1	1912080749	IDVZDFJUXCTLCK-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C1CC2(CCCC2)C1	1912614130	OMDWKQDXCPAPGD-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCC=CCNCC(C)(C)C1CCCCC1	1914672861	OWCWSKDBFOZKAP-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCC=CCN[C@@H]1CCC[C@H](C(C)C)CC1	1914680608	UZYDZYIXTLQWPH-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@H]1CC(C)(C)CC	1916055816	KBNADJMKHILAKM-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C1CCCC(CN[C@H]2CCC3(CCCC3)C2)CC1	1916399796	JNMUNLMNQIWXRI-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC(C)C)C=CCCC1	1916581299	VXFZRGXYUIMTQF-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCC(C)(C)CC	1920197480	OGBKDULPGQYKOK-ZFWWWQNUSA-N	227.436	4.747	0	10	BJAE	
CCc1cccc2ccn(CC[C@@H]3CC3(C)C)c12	1921443719	CJUFHKREVZLRIR-OAHLLOKOSA-N	241.378	4.640	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)[C@H]1CCCC[C@@H]1C	1925893652	VENSXDCWOYSOJR-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@@H]1C=CCCCC1	1925904684	XWOZNHIWVCMSFV-PMPSAXMXSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)CCNC1CC2(CCCCC2)C1	1926164348	LAJSLYBQYVKDRF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C(=O)CCCCCC1CC1)C(C)C	1936414026	AJXSDMWNHVTTJA-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H]1CC[C@](C)(CC2(C)CCCCC2)C1	1940411433	WOFUOPNMTVEFOR-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](CCC[C@H]1CC1(C)C)NC	1940879254	CAGSTZGTOSMBNE-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1csc([C@@H]2CCCC3(CC3)C2)n1	1941225321	DALOPXVTTMBXAC-LLVKDONJSA-N	249.423	4.878	0	10	BJAE	
CCCCCCC(=O)c1ccccc1C1CC1	1941554336	VRJUXQGWZMEDJU-UHFFFAOYSA-N	230.351	4.717	0	10	BJAE	
CCC1CCC([C@H](N)[C@@H](C)CCC(C)C)CC1	1942659778	JQJWFIJERSQHHZ-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943041261	GJYVXEDCBDZQPD-WDNDVIMCSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@]12CCCC[C@H]1CCC2	1944225449	ZSGSPNANIHQCON-OFQRWUPVSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1CCC(F)CC1	1944536132	QJJKYKJHBZRPDL-MOKVOYLWSA-N	242.378	4.690	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CC[C@H]2CCC[C@H]2C1	1945312031	VGMNBJVBSZCAEE-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1CCC(C)(C)C1	1945584848	SSHAFNXWMLHBML-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cc(F)ccc1C	1947455435	CGYMRFZMFZHXOE-OCCSQVGLSA-N	235.346	4.515	0	10	BJAE	
CC[C@H](CC(=O)CC1CC2(CC2)C1)C(C)(C)C	1948669683	HPZSSMQEYXYNBH-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCCCCC1(C)C	1949046278	ZXJBHLBDWXKBPV-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
C[C@@H]1CC(CCC2(O)CCCCC2)C[C@@H](C)C1	1949937313	OFGAPIMIIDUURZ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
Clc1ccccc1NC[C@H]1CC12CCCCC2	1950637978	DDJMHVQUWZFTNW-GFCCVEGCSA-N	249.785	4.722	0	10	BJAE	
CCC(CC)C[C@]1(CN)CCCC(C)(C)CC1	1950919407	OKVIGHHCQUGYFO-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
Cc1cc(C)cc(N(C)CC2CCC(C)CC2)c1	1963023703	SGRATJDYXRBYSO-UHFFFAOYSA-N	245.410	4.566	0	10	BJAE	
CC1CCC(NC[C@H]2CCCCC23CCC3)CC1	1966064907	JUFLHYVFMFLYCB-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1N[C@@H](C)CCCC(C)C	1968252928	VVYZJJADRDGNCS-AWEZNQCLSA-N	219.372	4.622	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CC3(CCC3)C2)cc1C	1968254484	IEOVKYVRIFHCDO-AWEZNQCLSA-N	243.394	4.684	0	10	BJAE	
CCc1cccc(NCC2C[C@H](C)C[C@@H](C)C2)c1	1968338815	BIBZLQAZMRMHJU-ZIAGYGMSSA-N	245.410	4.733	0	10	BJAE	
CC(C)C[C@@H](C)CN1c2ccccc2CC[C@@H]1C	1968429167	ALDPNZYQGZSWGR-CABCVRRESA-N	245.410	4.510	0	10	BJAE	
CCCCC1CC(N[C@H]2CCCC[C@H]2CC)C1	1968858528	CYAAENYXTKIXJJ-KNIAUWFNSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)CN[C@H](C)C(CC)CC	1969176777	JYJSANHIZXFGDF-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CC[C@H](C(C)C)CC1	1969974081	RCTZCJYRWBCHCQ-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCCC1CCC([C@H](C)N[C@@H]2CC23CCC3)CC1	1970002281	BTIPXNAFUOJDOG-SLTXQBBLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)CN(C)CC1CCC(CC)CC1	1973575944	NIINLXAVYKZJCP-QQFBHYJXSA-N	239.447	4.571	0	10	BJAE	
C[C@@H](N[C@H](C)C12CCC(CC1)C2)C1CCCCC1	1973849707	RZKGMPPLMZLFGA-LXTOLFJKSA-N	249.442	4.514	0	10	BJAE	
FC(F)(F)[C@H]1CCCC[C@@H]1CC1CC=CC1	1981975617	FXUAGRLQLBPZRK-NEPJUHHUSA-N	232.289	4.711	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](CCC(C)(C)CC)C1	1982567913	UTQBEGMLFGANCU-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC[C@@](CN)(CCCCCC(C)C)C(C)C	1986419667	SJBADIXAMUAIJJ-HNNXBMFYSA-N	227.436	4.604	0	10	BJAE	
C/C=C/CCCN(C)[C@@H](CC)CCCCC	1990124135	VCAQQYQEKKDLAC-PXTSUWAFSA-N	225.420	4.633	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)CCCCCC2(C)C)C1	1996258797	BNHLSLWNZYCDJE-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC1CCC([C@@](C)(N)CC2(C)CCCC2)CC1	1996593405	GRLMUPCHWPZYDW-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC1CC(C(C)(C)C)C1	1998239748	KAXZVEGKVJGFRO-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(O[C@@H]2CCCC(C)(C)C2)c1C	2000107157	SFGKXWFTNXLADU-CQSZACIVSA-N	232.367	4.651	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)(C)C)CC1CC1	2000503729	ACXIWFLLEJXZIO-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@H]1CCCC(C)(C)C1	2002993788	NRWYXZCCRQXRAQ-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](C[C@H](N)[C@H]1CC[C@H](C)CC1)CC(C)(C)C	2003104666	XLTZDWZNIWNRTP-AJNGGQMLSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC1(O)CCCCCCCC1	2003111716	NWKPRULULWRSJK-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1CCCC2(CC2)C1	2003285979	WGAVBGDTMQQYTQ-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)CNC[C@@H]1C=CCCCC1	2004716606	ATYRBVMAOAGKSU-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC1=C(C)[C@@](O)(CCCCCC2CC2)CCC1	2006952314	FNMWVHMRANVAMC-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CC(CC)CC)[C@H]1C	2006977877	FZMHNUKMMVSLJE-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@H](C)CCC	2007942584	KHXZCOGLURQEQH-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC1CCC(C[C@@H]2CC[C@@H](C)CCC2=O)CC1	2009411356	PJPRDVPKCWNORJ-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCN(C)[C@H]1CCC[C@@H](CC)CC1	2009567034	LPJKCBHBYSFDLK-ZOESHWHXSA-N	237.431	4.633	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCCC(C)(C)CC1	2009572758	OKBJUIMTMYZTGG-ISZGNANSSA-N	236.399	4.908	0	10	BJAE	
C/C=C/CCC[C@H](O)c1ccc2sccc2c1	2009593752	QZMZEIVHXLDYTC-HSWBROFVSA-N	246.375	4.681	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@H]1CC[C@H](CC)CC1	2009618428	BORMXRWBDWRFAN-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H](CC)CCCC	2010995579	RBDDBSZTKGQECD-HOTGVXAUSA-N	237.431	4.692	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C12CCCC1CCC2	2012127374	KVJGRQSDGZKVMX-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CCNC1CC(CC(C)(C)C)C1	2014656843	QWEGXPCDXLXMIW-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CC(C(C)C)C(C)C	2015393695	GKLOOTWTBFOPTN-HOCLYGCPSA-N	241.463	4.704	0	10	BJAE	
CC(C)[C@@H](C)C[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2015410858	DWBMADSTAAHEDN-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CC(C)(C)CNC(C)(C)C)CCC1	2015641231	BOXKLJZZVHEUPQ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2(CC(C)C)CC2)C1	2015743886	WWNCQASYBUBMGD-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C1(CC(C)C)CC1	2015755107	NMRMMNPLNFLZSK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CC(=O)C2(C(C)(C)C)CCC2)C1	2017133572	UETMTFKKGQSWMK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H]1CCC[C@@H](CC)C1	2017487798	UBASYMMOQYUPNW-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C[C@]2(O)CCCC2(C)C)CC1	2017646977	AYLLTBQHBOOEIZ-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)C[C@H]1CC[C@H](C)CC1	2017725681	UEDDDZZAZYSGGQ-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1CCCC12CC2	2018127998	SFDYUHICCMNLLA-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1C[C@H]1CC(C)C	2018128256	XRUDAGYOCXFKSH-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCCN(CC)Cc1ccc2sccc2c1	2019412072	ZMXUNWFLFLCJBI-UHFFFAOYSA-N	247.407	4.523	0	10	BJAE	
CC[C@H](CNc1ccccc1C1CC1)C(C)C	2021026461	UKWRXKYEZWHRIH-CYBMUJFWSA-N	231.383	4.658	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1CC[C@@H](C)C1	2023318758	JBACRIZXRHZQNZ-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)C[C@@H]1CCCC(C)(C)C1	2024094457	KCTVIBOSZHECKP-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@@H](C(C)C)C2)cc1C	2025572050	MZIPWCOLJNJNPJ-ZBFHGGJFSA-N	231.383	4.540	0	10	BJAE	
CCCC1(C[C@@]2(N)CC[C@@H](C(C)C)C2)CCC1	2025622585	VRJNCVXMZBITPL-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)Cc1csc([C@@H]2CCCCC23CC3)n1	2026528030	ZOZDIOJHFULFIZ-ZDUSSCGKSA-N	249.423	4.779	0	10	BJAE	
Cc1ccc(F)c2occ(C3CCCCC3)c12	2026603552	POSCWOPHGPECHY-UHFFFAOYSA-N	232.298	4.928	0	10	BJAE	
CN(C1CCCCC1)C1CCC(C2CCC2)CC1	2026966908	RJZRHYICDZBOGG-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CCN[C@H](c1ccccc1CC)[C@@H](CC)C(C)C	2028260643	DTUKNZPEUYJAIR-RDJZCZTQSA-N	247.426	4.582	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccc(C2(C)CC2)cc1	2028609592	FZZJNZTZCYZJIA-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)C1(C)CC(C)C1	2029107170	XLEOFLAHEYIMGQ-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1ccc(C2CC2)cc1	2029825290	MUBASGIOFPNJPC-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
C[C@H](CC1CCC1)N[C@H]1CC(C)(C)CC2(CC2)C1	2030289417	YLDAGDPTEFZSEN-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(=O)[C@]23CCCC[C@@H]2CCC3)cc1	2031850738	KNFDLZDCYNXFCJ-WBVHZDCISA-N	242.362	4.538	0	10	BJAE	
CCC[C@@H](NCC[C@H](C)C1CC1)c1ccccc1	2032227354	YPPOLCWAIYRKDM-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
CCN[C@H](c1ccccc1CC)C(C)(C)C(C)C	2032338763	JRHUGFBLPLGRGZ-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCC[C@@H]1C)c1ccccc1	2032558496	RFQRADGRWIAZMT-ZOBUZTSGSA-N	246.394	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(OC2[C@H]3CCCC[C@H]23)cc1	2033479978	SEQXTMFWERCOAC-RCBQFDQVSA-N	244.378	4.768	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2CC2(C)C)CCC=CCCC1	2033634386	VAXOHEZMYUCZBI-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)cc1	2034266879	YQYAFJYAOVARCH-HYVNUMGLSA-N	243.394	4.630	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2035554141	FFRVPFURDMKJPD-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC(C2(CNC3CC3)CCCCCC2)C1	2036181712	GJXBCIPPMGBNKA-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C2CC3(CCC3)C2)CC1	2037135244	GTLSIUDQQTYQOO-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CCN([C@@H]1CCC2(CCCC2)C1)[C@H](C)C1CCC1	2037684085	XILGZMFMMJPHFW-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CC[C@](CN)([C@H]2CCC3(CCCC3)C2)C1	2037686714	ODHVHHZBFRRNMF-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C2=CCCCCC2)CC1	2039378740	WOPJJKHAYSFIFT-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
O[C@@H](CC1=CCCCC1)C[C@@H]1CCC=CCCC1	2045344464	ZWDZRXQLRVOZDW-NVXWUHKLSA-N	248.410	4.764	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCCC(C)(C)C2)cc1F	2045452192	ZBOCDXVWGAYQGX-CYBMUJFWSA-N	248.341	4.533	0	10	BJAE	
Cc1cccc(N(C)C[C@@H]2CCC=CCCC2)c1	2046557645	CLBDXDVYQLMVSS-MRXNPFEDSA-N	243.394	4.568	0	10	BJAE	
CCC[C@@H]1CCCN(C[C@@H]2C=CCCCC2)CC1	2046575902	WBBJYJUYKFJDQD-IAGOWNOFSA-N	249.442	4.635	0	10	BJAE	
CCC1CCC(CN)(C[C@@H]2CC23CCCC3)CC1	2047010592	UPYLTOFLWPRLDO-HWOWSKLDSA-N	249.442	4.502	0	10	BJAE	
C[C@H](C[C@@H]1CC12CCCCC2)C1CCC(N)CC1	2047020508	QCSZMCMCSRYQCU-YHNBSYBMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(C[C@H]2CC23CCCC3)C1	2047060714	ZNUIPGKRZYYYAX-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC(C(=O)[C@H]2CCCC23CCC3)C1	2048617984	AJEOQTMAQJAGQB-JXQTWKCFSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H](C)C1)[C@]1(C)C=CCC1	2049999529	DOZVFUGGZVCMMQ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H](C)C1)[C@]1(C)C=CCC1	2049999531	DOZVFUGGZVCMMQ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@@H](O)CCCCCCC2CC2)c1	2050429663	ZBQSPNVNIALZES-KRWDZBQOSA-N	246.394	4.779	0	10	BJAE	
Cc1ccccc1[C@H](O)CC[C@@H]1CCC[C@@H](C)C1	2050440640	HYLORRUSGDAMOP-UKPHBRMFSA-N	246.394	4.635	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC(=O)c2ccc(C)cc2)C1	2050461991	AABMVCPBOWLVNL-CABCVRRESA-N	244.378	4.784	0	10	BJAE	
CN[C@@H](CCCC1CC1)[C@H]1CCCCC12CCC2	2053414058	WTJBMMJGMYMARP-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@@H]2C=CCC[C@@H]2C)C1	2055568216	SUTPKMKVFWJODZ-LUKYLMHMSA-N	249.442	4.536	0	10	BJAE	
CC=C(C)[C@@H](NCCC)c1ccccc1C1CC1	2056776544	MQRRRCXHLDBDQY-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@H](C)C1CCCCC1	2056872697	GJCWNTAZHVMCME-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2CC[C@H]3C[C@@H]3C2)C1	2059497861	SAYMBFPOIRUPNF-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(C2=CC[C@H](C)CC2)C1	2060913795	NHWNIOFJNWXPHN-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC=C([C@@H](N)C(C)(C)C2CCCCC2)CC1	2060925930	OBJREWJHVUOZIF-CZUORRHYSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)[C@@H]1CC[C@@H](C)C1	2061098418	JBKWVZCIWKDZDQ-YALNPMBYSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C(C2(N)CCC(C)(C)CC2)CC1	2061118122	DYJKDGHWGCAVLS-CQSZACIVSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@H](N)CCCC2CC2)CC1	2061143582	LKASGUVZKVOJAS-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
C=C=CCCC(=O)[C@@H](c1ccccc1)[C@@H](C)CC	2061558186	SCTUKPXYARHPNN-WMLDXEAASA-N	242.362	4.507	0	10	BJAE	
CCN[C@@H](CCCC1CC(=C2CCC2)C1)C(C)C	2061729430	WNRNFKKGTMQYSI-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1CC(=C2CC2)C1)[C@@H](C)C(C)C	2061729792	AHGSOCLNNLBKMG-SUMWQHHRSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C1CC(=C2CCC2)C1	2061739375	MUUAHAVMPULRIU-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](CCCC1CC(=C2CC2)C1)C(C)(C)C	2061741508	MSHSOZPNGPIODA-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C12CCCC1CCC2	2063822326	QRXDMDCPPNBKNQ-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(NCC2CC(C)(F)C2)cc1	2065814557	HCUNFAKEABQHLM-UHFFFAOYSA-N	249.373	4.579	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2065989898	IMEDNTZREMUOIL-YYIAUSFCSA-N	249.442	4.536	0	10	BJAE	
CC=C=CCCNC1CCC(C(C)(C)CC)CC1	2067325901	QHUPXNKTGJIJIA-UHFFFAOYSA-N	249.442	4.692	0	10	BJAE	
C[C@@H](NC1CC(C2CCCC2)C1)C1(C)CCCC1	2067529286	FRYVZWLWSOOVCM-IUDNXUCKSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)[C@@H]1CCC1(C)C	2068234485	WXGJGTYGJBSISK-HOTGVXAUSA-N	245.410	4.507	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)c1cccc(C(C)(C)C)c1	2068823223	PJILPXUOGOTFOT-CZUORRHYSA-N	248.410	4.700	0	10	BJAE	
Cc1ccc([C@@H](O)CC(C(C)C)C(C)C)cc1C	2068845873	VYWSQRDSXWCDCC-KRWDZBQOSA-N	248.410	4.655	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)C)c1cc(C)c(C)cc1C	2069012510	ZGFKWOZIKKEFGH-YVEFUNNKSA-N	247.426	4.555	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@]2(C)C=CCC2)CCC1	2069343206	XCRYLNHJGFLOJO-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](NC)c2c(C)coc2C)CCC1	2069345794	YPLMUXSHWKFZHW-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CC[C@H]2C2CCC2)C1	2071794387	NATXGEJOUKTAHD-MHVXSEJMSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)C[C@H]3CCCC[C@@H]32)CCC1	2071941120	PZRGIZKLHMQBTL-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)C2(C3CCC3)CC2)CC1	2072792820	DOGMXZSBGYYVQR-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC[C@H]1CC[C@H](C)CC1)c1ccco1	2072805320	BBNONWQDDMSNIM-KKUMJFAQSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@H]3CC[C@@H]32)CC1	2072806977	QQBZQDDIHXUHII-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@]23CCC[C@@H]2C3)CC1	2072880277	ZUVQKNUIPKZPJP-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@]12CCCC[C@@H]1C2	2074093730	HGIMGKIUUPFOIV-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CCCC1(CN2CC[C@@H]2C2CCCCCC2)CC1	2074588266	DSLJQPANVIQPQJ-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCCC[C@H]2C2CCC2)C1	2074895456	IPCIJYRYFCLQMY-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CCCN(CC[C@@]12CCC[C@@H]1C2)C1CCCCC1	2076589787	PDHWIWCYFAPZJK-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@H]1C[C@H]1C(C)C	2079429658	YGOHSQCYKDUIDM-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H]1C[C@@H]1CCC	2079840723	DQZAHBYVGVASPE-LSDHHAIUSA-N	244.378	4.648	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C[C@H]1C1CCCC1)C1CCCC1	2079851785	NCWBDEXCBSCREO-MAZHCROVSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C=C1CCC1)c1ccccc1C(C)C	2080249822	QVGJHAVIKNBXSG-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC[C@@]12CC[C@@](CC[C@H]3C=CCCCC3)(CO1)C2	2082101705	OEHYANJPJXAEHX-BBWFWOEESA-N	248.410	4.862	0	10	BJAE	
CC(F)(F)CC[C@@H](O)CCCCCCC1CC1	2213580728	NYODWOHIGAWCKV-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCCC1CCC(O)(CC[C@H]2C[C@H]2CC)CC1	2215235459	CMRXMXVLVPJNHS-FYRZTWFESA-N	238.415	4.534	0	10	BJAE	
CCCCCCC(=O)CC1(C)CC2(CCC2)C1	2215441477	HSJFGPVDCVVKRY-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)[C@@H](C)CCC(C)C)CC1	2215819520	WKUQBFCDHBUXLJ-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)C[C@@H]1CCC[C@@H]1C	2217140950	KWTRDUFEJBOASW-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@H]1C[C@H](CC(C)(C)C)C1)c1ccco1	2218041742	ZJQVHHGSOXYAAG-IHRRRGAJSA-N	249.398	4.535	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC[C@@H]2CC[C@@H]2C)cc1	2220601119	VIQFKZPRDONPMY-ZQIUZPCESA-N	245.410	4.507	0	10	BJAE	
CCCCC[C@H](C)Oc1cc(C(C)=O)ccc1C	2220726112	UTMUWROHQALXRF-ZDUSSCGKSA-N	248.366	4.545	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2220873011	FFZHPKDAOSDFKF-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2221642860	JYCJITPSNBOHSB-HWMZRRJGSA-N	248.410	4.764	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CCC2(CC2)C1	2223113012	KTXMAYDPJFBEOE-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
Cc1occc1[C@@H](N)CCCCCCCC1CC1	2223130465	MXYSOKDZWVPXJT-INIZCTEOSA-N	249.398	4.729	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)CCCC(C)(C)C)cc1	2223965881	PIJOFEHFEZTPBA-CQSZACIVSA-N	246.394	4.884	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1c(C)sc(C)c1C	2244779589	DPKWUUWRDNQZFR-JSGCOSHPSA-N	240.412	4.533	0	10	BJAE	
CCCC(CCC)[C@H](CC1(C)CC(C)C1)NC	2246454524	PGOBWXHNNJSSEC-SIWZUTFBSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C(=O)CC[C@@H]2CCC[C@H](C)C2)C1	2246660613	RGUTVEWSVFFCLJ-LQULJDIASA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCSc2ccc(N)cc2)C1	2246725350	GPKBNCOVRKGZJG-OLZOCXBDSA-N	249.423	4.577	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@@H]1CCC12CCC2	2247363491	DIDJDNZIEQADNB-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
FC(F)c1cccc(NCC2=CCCCC2)c1	2247496511	GZPSTBVCRGGHON-UHFFFAOYSA-N	237.293	4.537	0	10	BJAE	
OC1(CC2=CCCCC2)CCCCCCCC1	2247507652	BHKRNVNHDUPKDN-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CCC[C@@H]1CCCC12CC2)NC	2247599861	GEYFBFAGUBKSII-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC[C@H]1CCCC12CC2	2247656505	RJPHWBSRYHDUDM-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C=CC[C@H](C)CCCC(C)C)CN	2250514493	PUZOEGMGKYDIFF-HZPDHXFCSA-N	239.447	4.770	0	10	BJAE	
CC(C)(C)NCCCCCCCCCCCF	2253272222	NKPAWEHCPJTERL-UHFFFAOYSA-N	245.426	4.855	0	10	BJAE	
CCN[C@@H](CC1CCC1)C[C@H]1CCCCC12CC2	2253824509	TXLUWGOLMFMXIL-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)CC[C@@H]1CCCCC12CC2)C1CCC1	2253872940	JWNYRXBNYNNTGW-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@H](CNCC[C@H]2CCC[C@@H](C)C2)CC1	2253963843	HUXKLZUJTKUVMZ-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC1CC2(CCCC2)C1	2254112374	FBCCSTDISGAKEX-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc2c(ccn2CCCC[C@@H]2C[C@@H]2C)c1	2254517980	AZBLADULSPOEBN-LSDHHAIUSA-N	241.378	4.776	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](N)(C[C@H]2CCC2(C)C)C1	2255009742	PURDMDYLZIGDDH-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(N)(C[C@@H]2CCC23CCC3)C1	2255029243	ZHSGGYIRXFFALU-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H]2C[C@H]2CCC)cc1	2256236846	IQDLHBLBHNJWLJ-CVEARBPZSA-N	244.378	4.648	0	10	BJAE	
Cc1ccc(OCCCCC[C@H]2C[C@@H]2C)cc1C	2257244491	BPFOTSUBFUSUMO-HOTGVXAUSA-N	246.394	4.899	0	10	BJAE	
CC(C)(C)C1CCC(=C2CCC[C@]2(C)CN)CC1	2258801044	RLUGTXPDYBRPKC-FBMWCMRBSA-N	249.442	4.668	0	10	BJAE	
C[C@H]1CCC[C@H]1CNc1cc(C2CC2)ccc1F	2259115790	ILEIUIXUBJYOTF-FZMZJTMJSA-N	247.357	4.551	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)c1c(C)cccc1C	2259451937	FQSBCEHMAFPQBB-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CC1CC2(C1)CC(C(=O)C[C@H]1C=CCCCC1)C2	2259460059	JQFUFURJDZDVDO-WDCUWTOYSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc2c(ccn2C[C@]23CCC[C@@H]2CC3)c1	2260580987	CIZOTUKJKRRXLN-NVXWUHKLSA-N	239.362	4.530	0	10	BJAE	
CC1=C[C@@](N)(CC2CC(CC(C)(C)C)C2)CCC1	2261264172	OVVKUOMKSXWFIC-VMBOVVBDSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC[C@H]2C[C@H]2CC)CC1	2298124652	KCMXLZRHPUBZLM-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@@]2(C)CCC[C@]2(C)O)C1	2298259940	ZPCZWVVEXDMWBA-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCCN(CCC(CC)CC)C1CCCC1	2300687959	IFABWWBJUQCSTO-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H](C)C1CCCCC1	2300880867	NDSIXOBCVFWEGN-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CCCC[C@@H]1C(C)(C)C	2300899514	OVQUUZWFBASEFD-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)NCCCCCCC1CC1	2301720915	UPAXYNMQNMUBOF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](c2nc(CCC3CC3)cs2)C1	2302271670	XLFSUTIEHROSDC-AAEUAGOBSA-N	249.423	4.779	0	10	BJAE	
CC1=C(C)C[C@H](CCCC(=O)C(C)(C)C)CC1	2303592438	KVTNVWSCJAARJX-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CCCC(N)(CCC)C12CC(CC(C)C)(C1)C2	2304396056	HRIUDSBEFYFRNU-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cccc(F)c1C	2307763725	OWQSRJJJGXWLMX-LBPRGKRZSA-N	236.330	4.533	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CNCC)C1CCCC1	2307845981	SKAUAJKGDMZESO-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1C(C)=CCC[C@H]1C	2307879380	RGAAHMJBIIQVOY-UGUYLWEFSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)CC12CCC(CC1)C2	2307891350	BXTORWXLXHFQEQ-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)C[C@@]12CCC[C@@H]1C2	2310379953	LAWKQDITBBBRBS-UXLLHSPISA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313183455	SFLAVUBTWUWBFV-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@]12CCC[C@@H]1CC2	2313292511	QMJVJRPJVAYKEC-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)[C@@]23CCC[C@@H]2CC3)C1	2313296012	SYPJUYGOOVNKEG-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2313643750	ZVKMXJIKMIJZHP-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)c1ccc(C)c(C)c1	2316272917	ILHURFIHUPFDQP-QGZVFWFLSA-N	247.426	4.694	0	10	BJAE	
CCC(C)=CC[C@H](O)c1ccccc1CC(C)C	2316505135	XQDCAKFUVYOCHA-KRWDZBQOSA-N	246.394	4.665	0	10	BJAE	
CC(=CCN1CC[C@H]1C1CCC1)CCCC(C)C	2316507324	ZNHXGGBTVZIAIX-KRWDZBQOSA-N	249.442	4.633	0	10	BJAE	
CC(C)C[C@@H](C)c1nc2ccc(C3CC3)cc2[nH]1	2317130735	CNFJZMQSQSJZFI-LLVKDONJSA-N	242.366	4.590	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1cccc(C2(C)CC2)c1	2317988228	FSMCKFQNJUGUCN-KBPBESRZSA-N	245.410	4.831	0	10	BJAE	
CN(CCCC1=CCCCC1)C[C@]1(C)C=CCC1	2318586715	MHEJIKXPJQYYJH-QGZVFWFLSA-N	247.426	4.555	0	10	BJAE	
CC1(C)CC[C@H](C[C@@](C)(F)c2cccc(N)c2)C1	2319114093	QFMKPLDBZBXFBD-BLLLJJGKSA-N	249.373	4.670	0	10	BJAE	
C[C@@H](C[C@@H]1CC[C@H]1C(C)(C)C)c1cccc(N)c1	2320244949	WVEYCSFMCJQAJD-DUVNUKRYSA-N	245.410	4.835	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@@H]1CC1(C)C	2320387289	FQLRMZPZBJVJMD-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(N)CCC(C)=C(C)C2)CC1	2320411745	LJWVVNKVCNQWCM-DLBZAZTESA-N	247.426	4.731	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC(C)=C(C)C1)C1CCC1	2320415032	WSJOBRAMZKCCQJ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCCC(C)(C)C2)c1	2321080259	CPCZMPINXSQQPV-CQSZACIVSA-N	249.373	4.769	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H]2CC3(CC3)CN2)CC1	2321249407	RQUFFQHIBOJNAG-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CCNC2(C3CCCC3)CC2)C1	2321614215	SKVCQHKBVUMKHW-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cccc(C(C)C)c1F	2327803751	HEKLOMPLEDBXLM-ZDUSSCGKSA-N	249.373	4.940	0	10	BJAE	
CCCCCC[C@@H](C)NCCC1=CCCCC1	20520141	CHGCYOCZAVDZMF-OAHLLOKOSA-N	237.431	4.825	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccc(C(C)C)cc1	21009173	KJBIXOGHGSTAKD-OLZOCXBDSA-N	219.372	4.657	0	10	BJAE	
CCC1CCC(NC(C)(C)CC(C)(C)C)CC1	35257340	NMICSRHYKBUGSQ-UHFFFAOYSA-N	239.447	4.760	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)c2ccsc2)c1	50338213	LJVZFIKZZHLXCI-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
Cc1ccc(OCc2ccc(C(C)C)cc2)cc1	70238302	GNHHZMCGHFVASU-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CCC(CC)[C@H](N)c1ccc(C)c2ccccc12	79904570	SLCJICURRORBQP-KRWDZBQOSA-N	241.378	4.584	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)C(CC)CC	82631010	UXBKQLLEEWMFJO-KGLIPLIRSA-N	227.436	4.760	0	10	BJAE	
CC(C)c1ccccc1Nc1ccc(F)cc1	82715526	PHFOOCGIFQEJJL-UHFFFAOYSA-N	229.298	4.693	0	10	BJAE	
CC(C)c1ccc([C@@]2(N)CCC[C@H](C)CC2)cc1	86884085	RKYATLYULGGVDG-WMLDXEAASA-N	245.410	4.564	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	93523901	RJSKQUBRZXAQEV-WZCNAGQFSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC2(C)C)cc1F	94274175	OPLUPRPIJBXWLP-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](NCC(C)(C)C)c1ccccc1	103968091	CHMKAARCAOEUCV-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CCC[C@@H](CC)N[C@@H]1CCCCc2ccccc21	109944868	VUXZNHMMCQTZRX-NVXWUHKLSA-N	245.410	4.622	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCC(CC)CC)CC1	124840686	YOQSTJAPDBDUKE-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(SCC(CC)CC)s1	139513124	RAHJCXODTDMAJI-UHFFFAOYSA-N	228.426	4.839	0	10	BJAE	
CC1(C)CCC[C@]2(C)C1=CC[C@@]1(C)OCCC[C@H]21	142955973	IPUAJEKTYUPFEU-DJIMGWMZSA-N	248.410	4.718	0	10	BJAE	
CCCCc1csc2ccc(Cl)cc12	147060322	RPJFUIQPUUQOKA-UHFFFAOYSA-N	224.756	4.897	0	10	BJAE	
CC(C)CCC[C@@H](O)C1(CC(C)C)CCCC1	157396323	BDJFEROVFABUQE-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](NC)c1c(C)ccc2ccccc12	160896441	GKDUUASRNZEFCR-MRXNPFEDSA-N	241.378	4.599	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCCc1ccccc1	163216088	ZJZCUOFZWKYVPZ-DLBZAZTESA-N	247.426	4.553	0	10	BJAE	
CCN[C@@H](c1cccc(C2CCC2)c1)[C@@H](C)CC	169085898	QBBILZFOCNRKQN-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc2c(ccn2[C@H]2CCC[C@@H](C)C2)c1	221311556	HTEVZRXMZRVTBE-DOMZBBRYSA-N	227.351	4.701	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2ccc3c(c2)NCCC3)C1	233964603	KWRUSLPAQFQEIR-HIFRSBDPSA-N	243.394	4.729	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CCS[C@@H]2C)cc1	234013077	SKQHNUIQCURROB-ZOWXZIJZSA-N	249.423	4.506	0	10	BJAE	
CCCc1ccccc1N[C@@H]1C[C@@H](C)C[C@@H](C)C1	249727889	YJPZUQPXOFFSRG-FOLVSLTJSA-N	245.410	4.876	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@H]1CCCC(F)(F)C1	304171585	HOITZLZXFFOQIH-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1CCCC(F)(F)C1	304218292	SIZKLGCKHZDGDD-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@H](C)CCC[C@H](N)c1ccccc1	305902322	BMKRMLJJDDYYOO-ZBFHGGJFSA-N	233.399	4.539	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1ccc(CC(C)C)cc1	305975912	HGSAMBHTIZRGQJ-WMLDXEAASA-N	247.426	4.711	0	10	BJAE	
CC(C)CC[C@H](NC1CCCCCC1)C1CC1	306027068	KNUMVBARKPFQNX-INIZCTEOSA-N	237.431	4.514	0	10	BJAE	
Cc1cc2scc(Cl)c2cc1C(F)F	307491624	HYPLSCVYZFGKKJ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCCCCC[C@@H](O)c1sc(C)cc1CC	309401657	VJWZGWIQFMCEIL-CYBMUJFWSA-N	240.412	4.623	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1C=CCCCCC1	310059100	HFPPJNMNSUUURG-CYBMUJFWSA-N	249.785	4.949	0	10	BJAE	
C[C@@H]1CCc2[nH]c(C3CCCCCC3)nc2[C@@H]1C	310910386	HBOARHAXUVYWFO-VXGBXAGGSA-N	246.398	4.533	0	10	BJAE	
Cc1ccc([C@H](O)C[C@@H]2CCC[C@@H](C)C2)cc1C	311081017	FXBRRMQBYYNDII-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2	314577756	FVWHEXISTXRMDB-ZDEQEGDKSA-N	249.785	4.577	0	10	BJAE	
CC[C@@H](Nc1ccc2sccc2c1)C1CCC1	322767191	FBSJKLYOWMMYLB-CQSZACIVSA-N	245.391	4.892	0	10	BJAE	
CCC[C@H](Nc1c(C)cccc1F)C1CCC1	322837749	KLKOTRGKDHMLKW-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CCN[C@H](C)c1ccccc1C1=CCCCCC1	380825476	ZHPMUNDUAWESDY-CQSZACIVSA-N	243.394	4.705	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H](C)C2CCC2)cc1	382157621	IRXKLFFRJGGLAD-CHWSQXEVSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C[C@@H]1CCC[C@@H](C)C1	383757195	DDOGLLSTTKVQPA-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C(C)(C)C	383877833	QXUMSICHVFAMRZ-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H]2CCCC[C@@H]2C)cc1	384981623	JNKOBNSSQYHGCK-XJKSGUPXSA-N	244.378	4.648	0	10	BJAE	
O=C(CCCC1=CCCCC1)c1ccccc1	385258465	XZVWRQOGOZJKPH-UHFFFAOYSA-N	228.335	4.540	0	10	BJAE	
C[C@H]1C[C@H](NC2CCCCCC2)c2ccccc21	385760441	UEZHHYMXTCOKMX-GUYCJALGSA-N	243.394	4.547	0	10	BJAE	
Cc1cscc1-c1ccccc1C(F)(F)F	393795186	IOWJEXHUNRFWER-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CCCCNCC(C)C)C1	394503722	AOUDUUJYSAKNNY-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
O=C(CCC1=CCCCC1)CC1CCCCC1	395322658	BQABDPUVNJLHDK-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](CC)C1CCCC1	395722658	OBBBBSLSTXSWDK-HOTGVXAUSA-N	239.447	4.904	0	10	BJAE	
CCc1cc(C)c2cc(C(F)(F)F)sc2c1	396298567	GGZKRHGLECAAEB-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC(C)CNC[C@H]1CCCC[C@H]1CC1=CCCC1	400628841	KMIDHYQLGKTANZ-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CCC)CCC[C@@H]1CC=CCC1	402355259	VZGUJZXDVAFFMX-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1ccccc1[C@](C)(O)CC1CCCC1	689779572	WDPUFUCDQBGRIS-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC[C@@H](C)C1	691186622	NUKLWXYIRRNPGH-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](C)NCC1CC2(CCC2)C1	691892903	PRNAWFYQSCYKOF-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1CC=CC1)NCCC	692059089	LEGXSTBSICVFAS-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CNc1cc(Cl)ccc1CC1CCCCC1	694960820	NUGSNSMSTVXPNC-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CCC(C)(C)CC	696643351	DJFFNQYJUGQNMO-KGLIPLIRSA-N	227.436	4.747	0	10	BJAE	
CC(C)=CCCC(=O)C[C@@H](C)CC(C)(C)C	697830225	WVNVSJQSHGAXOP-CYBMUJFWSA-N	224.388	4.764	0	10	BJAE	
CCC[C@](N)(C[C@@H](C)C1CCCCC1)C1CC1	705325915	RVSWMNLIVFWTIL-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@H](C)CC(C)(C)C	708297161	PFGFACZCVJYLRQ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)C[C@H](C)CC(C)(C)C	709071134	MKGVKDQLBUCVFG-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(NC[C@@H](C)CC(C)(C)C)c1F	709107906	ZNRLKKDCDGRBRT-NSHDSACASA-N	237.362	4.618	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@H](C)CC1CCCCC1	709757887	GQXWTRQKDNYOEY-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC[C@@H](C)C1CCCCC1	710027966	ZAMJJEOXSGHEDA-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
O=C(CC1CCCCC1)c1cscc1Cl	710356199	SUVOWVSERYSSGK-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC(C)CC[C@@](O)(C[C@@H](C)C(C)(C)C)C1CC1	710740419	BBQQQVQMXBBOLM-CZUORRHYSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](N)C[C@@H](C)C(C)(C)C	711111368	TZJJJOWGFKVYOC-FVQBIDKESA-N	247.426	4.580	0	10	BJAE	
C=C/C=C\CCCc1c(F)cccc1Cl	713746695	RKGXBVBOYJUYJS-ARJAWSKDSA-N	224.706	4.544	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1	714298467	MASDKAVZHJZDBC-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@H]1CCCCC1(C)C	718591582	DHNRYJSVCZVCHW-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](CCCC(C)(F)F)C(C)(CC)CC	718676011	KFVNAYQLGABMEY-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1c(C)cccc1C	718723396	QBHPGSJOXWLMSN-UHFFFAOYSA-N	230.351	4.623	0	10	BJAE	
C=C/C=C/CCN1CC[C@@H](CC(C)(C)C)C1(C)C	1460226631	YUAZGOSBHKAUBK-HVHJFMEUSA-N	249.442	4.655	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@@H](C)[C@@H](C)C1)C(C)(C)C	1659822400	HHNPTEADRZQASC-BARDWOONSA-N	239.447	4.616	0	10	BJAE	
CC(=CCCCCF)CCCC(C)C	1888070499	PNQXUAMEKJCQBA-UHFFFAOYSA-N	200.341	4.899	0	10	BJAE	
CC(C)[C@@H](C)Nc1cc(C2CC2)ccc1Cl	1900709116	HFGODDOIBDIAPM-SNVBAGLBSA-N	237.774	4.674	0	10	BJAE	
CCC(CC)CC[C@H](CCCC(C)C)NC	1900714591	WVTCKDGQGMYJDK-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)[C@@H](C)C(C)C	1901711593	BXRRBDACBMVXMG-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
Cc1sccc1-c1cccc(C2CCC2)c1	1901897089	FJYFXRJMDZKCAS-UHFFFAOYSA-N	228.360	4.991	0	10	BJAE	
CCC=C[C@@H](C)Cc1c(C)cc(C)cc1C	1911899789	CRFFMANKUDLJBE-GFCCVEGCSA-N	216.368	4.757	0	10	BJAE	
O=C1CCCCCCCC[C@H]1C[C@@H]1C=CCC1	1913386322	KZEUNZFMXLMFNF-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
CC1(C)CC(C[C@]2(N)CCC3(CCCCC3)C2)C1	1915892029	KUACARGANOFSSM-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)C[C@]1(CNC(C)C)C=CCCC1	1916582060	YXIKBJXADJLDGO-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@](O)(CC)c1cccc(Cl)c1	1919926229	ZDUYDCQEFAXODC-CQSZACIVSA-N	240.774	4.518	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)c1ccccc1C1CC1	1920199491	AENCCTYGHGGUBR-DYVFJYSZSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@H]1CCCC12CCC2	1921587553	XACMFSWJJPAROX-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)C[C@@H]1CC1(C)C	1925757617	OBZADKOCBGQFLM-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
Clc1ccc(Cl)c(C[C@H]2C=CCC2)c1	1932592710	LJVIKQQTVPQJHY-VIFPVBQESA-N	227.134	4.502	0	10	BJAE	
CCC[C@H](C(=O)CCC1CCCCC1)C(C)C	1941263904	GPGLHQBXYOHEGZ-HNNXBMFYSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CC)CCCC1CCC=CCC1	1941792527	GUAIZRUOPKHWON-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@H](C)CCC(C)C	1942658957	IDTRSKQTZGCNKV-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](N)[C@]12CCCC[C@H]1CCC2	1944156463	PXGNURPGWJEFDW-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)CC1CCC(C)(C)CC1	1944661967	XJWBXTPFFZHRIF-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CCCC1(NC[C@@H]2CCC[C@H](CC)C2)CCC1	1945282965	QKIIXXZENWXGOZ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](O)CC2(C)CCCCC2)C1	1945594478	CBXYREBJIVZVJE-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCC(F)(F)CC)NC	1947993432	NRRKGSRMCGHKIM-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)C(C(C)C)C(C)C	1949046926	KFZUKVBFOSWCCT-INIZCTEOSA-N	239.447	4.769	0	10	BJAE	
CCC[C@@]1([C@@H]2CCC(C)(C)C2)CCCCCN1	1949423394	XTUHYLMPNJXDOV-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@H](CC1(C(C)=O)CC1)c1ccccc1	1951615105	QFPAXHFTICKSEF-BBRMVZONSA-N	244.378	4.576	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCCC[C@@H]2C2CC2)C1	1963181197	AUNBNOUZSNKKIF-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)CN(CC)[C@H](C)C1CCC1	1964258492	JKLBRCZJGXKQBN-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
C[C@H](NCC1CCC=CCC1)C1CCCCCC1	1966299428	VEZLPTNWQHKXAT-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CCC2(CCC2)C1	1968311109	XLKWECSXQRSMHI-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@H]1CCC2(CCCC2)C1	1973447401	ROOIATMLKOTRDD-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@@H](C)CC(C)C	1986936600	FVZUFXISONQLOY-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1CCC[C@@H](C)C1	1990090011	UJJCEGFYDBOZOD-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)N(C)Cc1ccsc1	1990828039	BPSKBCDMESWRHP-AWEZNQCLSA-N	239.428	4.539	0	10	BJAE	
CCCC(C)(C)c1nc(C[C@@H](C)CC)cs1	1995443792	CVVJEAFWPXCGBJ-NSHDSACASA-N	239.428	4.809	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)C1(C)CCCCC1	1995974589	GAEJOYFABWMBQD-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCN[C@H](CC(C)C)[C@H](C)C1(C)CCCCC1	1995977203	ZZZPRHSLISZXBX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](N[C@@H]1CCCC1(C)C)C1(C)CCCCC1	1995991950	TXNAUMACSHFXLM-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC[C@@H](C)C1)C[C@H](C)CC	1996261141	UCDPVCGZVYIMTO-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC1CCC1)CCC(C)(C)CC	1998038748	UVOBQGBUGPQDLM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@H](C)CC(C)C)C1	2000189720	BITAXSTZAHWNKJ-VNHYZAJKSA-N	236.399	4.620	0	10	BJAE	
CCCC[C@@](C)(CNCC)CC1(CC)CCC1	2000505803	VBRACJGMIRPCNZ-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CC(C)C1CCC([C@@](C)(O)CC(C)(C)C)CC1	2002924550	KMVFWQPBFFDBCF-XUJLQICISA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)CCNC1CCCCCCCC1	2003102717	YTENMVYDUBRPTB-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CCCC23CCC3)c(C)s1	2005599583	ZCOKLVCGRSRUBW-ZDUSSCGKSA-N	248.391	4.518	0	10	BJAE	
CC1([C@@H](N)C=C2CCCCC2)CCCCCC1	2007945254	SQYOCDQOBDICEU-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CCCC[C@H]1C	2009616938	NMFQLZGLELDQLA-CLTGJZPWSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC1=CC[C@@H](C)CC1)CC(C)C	2010622905	GTKZBKBTSFGAHL-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@](C)(N)C1=CC[C@H](CC)CC1	2010729138	LUEXZKWPNOJHJF-GOEBONIOSA-N	237.431	4.811	0	10	BJAE	
CC=CCCC[C@](CC)(CNC(C)C)C(C)C	2012427848	YAYRCAORDMHBMJ-MRXNPFEDSA-N	239.447	4.783	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC2CCC(C)(C)CC2)N1	2013523000	ZALJDBZASPNOFT-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCC[C@]1(O)CCC(C(C)C)C(C)C	2015334107	FGXYAZOYMLHGGL-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CN[C@@H](C)C1CCCCCC1)C(C)C	2016106415	NAVIIYXBJNPHRF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)(C)C)C(C)=C(C)C	2017485979	IDCUCQLRDRXXKY-HIFRSBDPSA-N	239.447	4.783	0	10	BJAE	
CCN[C@@H](CC[C@H]1CC[C@H](C)CC1)CC(C)C	2017728645	NRMZSCRFBMZVGQ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](O)(CC)CC1CC(C(C)C)C1	2018131812	VHBXQVDLEWHZCQ-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H]1CCNC2(CCCCC2)C1	2018644692	DXBFWXDFLLKUTH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@H](CCC2CCCC2)NC)CC1	2019007216	YSKAEHSFMCSSKX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)N1CCCC[C@@H]1C1CCCCC1	2019306546	XVSOFEAOJCGVLD-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
Clc1ccc2c(ccn2[C@H]2C=CCCCC2)c1	2019531315	CRPWHHHVRIRNCS-AWEZNQCLSA-N	245.753	4.966	0	10	BJAE	
CCCC[C@H](CC)CC[C@]1(C)CNC(C)(C)C1	2022142988	YPQNBDPAUDRWBW-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC(CCC(=O)C2CC2)CC(C)(C)C1	2024102046	PCICBCLBRYXPJG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H]1CCCNC12CCCCC2	2024622675	UHNILLDVWYFPDY-HNNXBMFYSA-N	237.431	4.659	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC[C@H]1CC1(F)F	2026074468	MNBQYTJTLDUQKI-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC(C)=C(C)CCN1CCCC[C@@H]1c1ccco1	2027024069	YNEMLLFUAZNHPX-OAHLLOKOSA-N	247.382	4.553	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1ccccc1C1CC1	2028565101	IRIQMZXZHGHJBV-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1ccc(C2CC2)cc1	2028591069	POCRPNNKIXBKMS-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1CC[C@H]2C[C@H]2CC1	2028968106	PFAMDUGYEPFLGA-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(CNC2CC2)CC=CCC1	2029835890	IFNMYKNDGMDJOC-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC(C)NCC1([C@H]2CCC2(C)C)CCC=CCC1	2033573962	YNDPUOZCGROAOV-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
N[C@]1(C[C@H]2CC=CCC2)CCC2(CCCCC2)C1	2037161380	BHRMCFIEFLOQJF-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC(C)CCC[C@H](N)c1cccc(C2(C)CC2)c1	2037209760	IGNLOKBXTKBARI-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CC(C)CC[C@](N)(C[C@@H]1C=CCCCC1)C1CC1	2037273445	SHTIMEKRMMWYGE-WBVHZDCISA-N	249.442	4.667	0	10	BJAE	
CC1CCC2(CC1)CC(N)([C@H]1CCC(C)(C)C1)C2	2038939673	DZBDVQOILXHILE-ZFBLFJJNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](c2nc3ccccc3[nH]2)CC1	2039364103	VFHFJNFWKXCSMY-GFCCVEGCSA-N	242.366	4.637	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@](C)(N)C12CCC(CC1)C2	2039847471	RWVAEMXGMZZCHZ-OGOZQZCJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1(C)CCCCC1)c1ccco1	2039853132	SZEQXFOHGBPBQQ-UONOGXRCSA-N	249.398	4.679	0	10	BJAE	
N[C@@]1(CC2CC=CC2)CCCC2(CCCCC2)C1	2040764863	IYCMOVQPGFNXCX-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2CC3(CCC3)C2)CC1	2041385846	FZHNTIBJZPXUOB-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)C[C@H]1CCC=CCCC1	2045310320	NIPFEDKGMUMXNK-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2CCC=CCCC2)C1	2045314049	GEUXFQRGMPZFQG-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@H]1CC(C)=C[C@@H](C)C1	2045695375	JRCPDPVYAKYONZ-KBRIMQKVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NC1CC2(CCCCCC2)C1)C1CCCC1	2046227508	ZNKBUMDHUJCXTR-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048468668	KFNHXPRIBJWCMA-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
C(CCC1CC1)CCC1CCC2(CCCN2)CC1	2048951490	AEXQKPKLZYDNRG-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(CC(=O)C[C@H]2CC23CCCCC3)CCCC1	2049804807	QVUVQDWHPFKPOL-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)CC1CCC2(CC1)CC2	2049934336	WKPLPPWJAIZRMB-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@@]1(C)C=CCCC1	2050007525	QIAWJPAYZJTHFW-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
FCc1ccc(N[C@H]2CCCC[C@@H]2C2CC2)cc1	2055670381	VTQYSUNKHPUYPZ-CVEARBPZSA-N	247.357	4.537	0	10	BJAE	
CCC1CC(C[C@H](O)c2ccc(C(C)C)cc2)C1	2056662949	ZPNSJDUJBGWPAW-KVULBXGLSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1(C2CC2)CCCC1	2057593402	CPANNVBFANIHQA-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCCc1ccc2c(c1)CCC(C)(C)O2	2059220973	HKUJUIRVHDFWQR-SNAWJCMRSA-N	244.378	4.689	0	10	BJAE	
CSc1cccc(Sc2ccccc2)c1	2060342649	INHJRWHLXDLIQL-UHFFFAOYSA-N	232.373	4.560	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C(C)C)CC1)C1(CC)CC1	2061085056	OEVQCQZQQNDALS-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC[C@@]23CCC[C@H]2C3)C1	2061598328	XZSMBQKPJBEKIV-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
CC1CCC([C@@](C)(N)CC[C@]23CCC[C@H]2C3)CC1	2061601495	HTRZVVOFVYKXPX-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)CNCC1CC(=C2CCC2)C1	2061641459	SMJNITXQOCSVLN-CQSZACIVSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC23CCC(CC2)CC3)CC1	2065339690	OHQFSFWRQBLREH-RDHHWEPZSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](CC2CCC3(CC2)CC3)N1	2066375961	PQIVDZRSSOXEMW-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC2(CC([C@](C)(N)C3(C)CCCC3)C2)C1	2067502970	GKIYOWVAPJHMRY-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2CC=CCC2)CCC1(C)C	2068232562	HBQJJUWDBBSNAH-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](NC)c1cccc(C(C)C)c1	2071506078	QXQNGRBNHLUXBW-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC1CC2(C1)CC21CC1	2072237775	ZVEPROVPZLJSRX-VFNXUKNFSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@H](NC)c2ccco2)CC1	2072801288	MNMZIEZQWZVFOB-NRXISQOPSA-N	249.398	4.537	0	10	BJAE	
CCCCC[C@@H](CC)Nc1nccc2occc12	2073292981	BFVSAYWZFQPEAA-GFCCVEGCSA-N	246.354	4.599	0	10	BJAE	
CC(CCC(C)C)=C1CCNC2(CCCCC2)C1	2074135156	OAIPYTVXFIERSL-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H]1CCNC2(CCCC2)C1	2074138483	KHMRBFGTWPHSEV-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](O)C[C@H](C)c2ccccc2)CC1	2074619225	NYOCWFINRGVUMB-GOEBONIOSA-N	246.394	4.512	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)C1CCCCCCC1	2074779887	JBEFVHXFGXAPTF-HNNXBMFYSA-N	245.410	4.792	0	10	BJAE	
CCC1CCC(N2CCC[C@H]2C2CCCC2)CC1	2074866188	RPIQHIRALCESDI-PREGVCBESA-N	249.442	4.610	0	10	BJAE	
CCCC1(CN(C)CCC2=CCCCC2)CCC1	2075146707	QWOMPIKBSFSTSR-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
C[C@]12CC[C@H](Nc3ccccc3C3CCC3)[C@H]1C2	2077264862	CIVPWYLZKQTZKZ-HYVNUMGLSA-N	241.378	4.555	0	10	BJAE	
N[C@@H](CCCC1CCC1)[C@H]1C[C@@H]1C1CCCCC1	2079839365	SNYSYNJXPFPIBG-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NC2CC3(C2)CC2(CCC2)C3)cc1	2083633438	OREIWDVGTFTEHM-UHFFFAOYSA-N	241.378	4.520	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)Cc1ccc(C)cc1	2085941837	VPDHEAJISUXUHO-CQSZACIVSA-N	246.394	4.713	0	10	BJAE	
C=CC=CCCc1ccc(CC(C)C)cc1	2210481052	XTYVLEFDPJVYKH-UHFFFAOYSA-N	214.352	4.560	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCCCC2CC2)C1	2214571943	YSHDXOOBEUBAFZ-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCCCC1CC(N)(CC[C@H]2C[C@@H]2CC)C1	2215257961	XCSJXDAKYBSRQP-PYBGIAKNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](NCC)[C@H]1CCC[C@H](C(C)(C)C)C1	2216256246	HDYMBZXMBVJKFZ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C(=O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216746093	BPQXDXXUFBZISQ-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1C[C@H](N)CCCCCCCC1CC1	2216884451	VURFCTNOAHGSTJ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@]1(CN[C@H](C)CC)CCC1(C)C	2217136120	HWUCOWDSWZZVQA-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@H](CC)CCC1CCCCC1	2217144367	FGTGSUANBHYRFI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
O=C(CCCC1CC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218378155	OJWPOSOXXZQCBI-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
O[C@@H](CCCCCCCC1CC1)c1ccccc1	2218726405	OLMQBDFHULWZQJ-KRWDZBQOSA-N	246.394	4.861	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC=Cc1ccccc1)NC	2219083281	CPZJVKQBUXYXHS-NVXWUHKLSA-N	245.410	4.504	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C/C=C/c1ccccc1	2219084002	GDBBYYXGVXXKSD-ZHZWZMEUSA-N	244.378	4.731	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2C[C@@H](C)CC[C@@H]2C)CC1	2221643331	NBXGKNWZVJUASQ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@H](N[C@H](C)C2CCC(C)(C)CC2)CC1	2221656369	YPFGBBBVKWDVLZ-GDBMZVCRSA-N	249.442	4.680	0	10	BJAE	
CC[C@H](C)NCC1([C@H]2CCCC[C@@H]2C)CC=CC1	2223541956	NFFNKEOWZMYLOX-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
C[C@@]1(C2CCC2)CCCN1[C@@H]1C=CCCCCC1	2223849594	CSMDZRJSVCDYTE-SJORKVTESA-N	247.426	4.530	0	10	BJAE	
CC1(c2cccc(C/C=C/c3ccccc3)c2)CC1	2226206481	IPAZOTDYUFOUPT-WEVVVXLNSA-N	248.369	4.994	0	10	BJAE	
CCCCCC[C@@H](N)c1csc(C2CC2)c1	2243492763	OIDAJGGRFSABNT-CYBMUJFWSA-N	237.412	4.596	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCC(C)(C)CC)NC	2244786612	VPQYRUZSMPACAK-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2CC=CCC2)C1	2246660396	PNEADTTUSIKMSM-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCSc2ccccc2N)C1	2246724784	FHEATDXCCHPMNP-OLZOCXBDSA-N	249.423	4.577	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](O)C[C@@H](C)C(C)(C)C	2247165081	PTGLUKDPGXPNFU-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
CCCCC1CC(N)(CCCC[C@H]2C[C@H]2C)C1	2247174949	YJDPPMWNENUSKM-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCC1(C(=O)CCCC[C@H]2C[C@@H]2C)CCCC1	2247174969	HQXLIWGSBXABKS-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H]1CCC1(C)C)C(C)(C)C	2247397297	GIQVZXSPATXUGT-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1=CCCCC1)NC	2247459395	WLAVJEITKSIUOU-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CCCCC[C@H]1O	2248819050	HKDHXKUCSBVBHN-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](C)(N)CCC1CC1	2248867751	XJQDURABXXIBGR-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC(C)(C)C(C)(C)C	2248873226	URWZRYLCDSZUCB-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](Nc1cc(C2CC2)ccc1F)C(C)(C)C	2250115521	LQLQNEWXVFSRLL-SNVBAGLBSA-N	235.346	4.550	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)[C@H](CC)CCC	2250362431	UUMKDDYEYKHWHF-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)C1CC(C)C1	2250478070	DZHQBKOWDIJYGP-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC[C@H](N)C1CC1	2250481055	JNADYUZYAYPKOA-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)[C@@H](N)CC[C@H](C)CCCC(C)C	2250483391	ZMLBZAANIZQDQQ-ZBFHGGJFSA-N	241.463	4.993	0	10	BJAE	
C/C=C/CCC[C@@H](O)C1CC(CC(C)(C)C)C1	2251542785	PGKXHYKBXZMBOS-NELHYYLHSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCC[C@@H]1CCNc2ccc(F)cc21	2251638331	VCIMZIISLIVRGE-GFCCVEGCSA-N	235.346	4.551	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)CC(C)(C)CCC1(C)C	2251658953	JWOWEQFCHXVTKP-XEZPLFJOSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2CCCNC23CCC3)C1	2253975189	YNPPGLYJCGMVIH-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CC[C@@H]2C2CCC2)C1	2253998277	UJWAMZXUQIFING-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@H]1CCC1(C)C	2254831836	WPXTWUHWEQSPPN-CZUORRHYSA-N	245.410	4.636	0	10	BJAE	
C[C@@H](Nc1cccc(C(C)(C)C)c1)c1ccco1	2257904933	DTGJCCFGNTVBNW-GFCCVEGCSA-N	243.350	4.750	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)Cc1ccccc1C(C)C	2259436587	NUAHKCQTMHWAAX-RHSMWYFYSA-N	248.410	4.540	0	10	BJAE	
C[C@H](C[C@@H]1CCCCN1)C[C@@]12CCCC[C@@H]1CC2	2260652431	RKHOHUTWTGFBOU-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)CCNCc1cccc(C(C)(C)C)c1	2261362447	UAMRXLHWPWFDAX-CQSZACIVSA-N	247.426	4.510	0	10	BJAE	
CC1CC(CC[C@@H](N)c2ccccc2C(C)C)C1	2261491606	RDQFLWXYCLTYDU-MQBCKMQZSA-N	245.410	4.636	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@]12CCCC[C@@H]1CC2	2298717921	LCAQVZKTILVGEV-OAGGEKHMSA-N	237.431	4.645	0	10	BJAE	
CCC[C@](C)(CC=C(C)CC)CNCC(C)C	2300859905	AHJOSNGJSCVGID-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CC[C@@H]1CC[C@H]1NCC=C(C)CCCC(C)C	2300864524	BNBJXXYLIUSYNZ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H]1[C@@H](O)CC1CCCCCC1	2301135243	IFEYGFGFVXIRGN-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1C[C@H]2CCC[C@H]1CC2	2301144527	FHTGBMJVJNCCQQ-VGWMRTNUSA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@H](C)[C@H](C)CC1CCCCCC1	2301237132	TUUBMMOUSUGDAT-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC1(C(=O)c2cc(C3CC3)ccc2Cl)CC1	2301334153	USNDUXGFEJGAEO-UHFFFAOYSA-N	248.753	4.590	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)CCC1=CCCCC1	2301947075	YEURZAYVUZDATQ-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@@H](C)CNCCCC1=CCCCC1	2302317744	LAZLTWWQJHBSGX-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@]2(C)CC=CCC2)C1	2302755381	JTPQLOJLHRNEMK-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC(C)=C(C)C1)CC(C)C	2303585870	YFIHCTUCYRJKNZ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)NC[C@@H]1CCC(C)=C(C)C1	2303597006	LXCBDPIDCHOVNX-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CNc2ccc(C)cc2)CC1	2303602129	ULEGSDUROAXAQN-OAHLLOKOSA-N	229.367	4.543	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](CC1CC1)C1CC1	2303664062	ZTEOKZGUMGTLAO-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCC[C@@H]1CCC(C)(C)C1	2304417397	CFWDFPYWKHTOIW-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1[C@@H]2CCCCC[C@@H]12	2307907205	KJTPXWHCZLCOHA-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1CC[C@@H]2CC[C@@H]21	2308172307	YNTZTSOFAWACCR-LUKYLMHMSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1[C@@H](N)C[C@@H]1CCC=CCCC1	2308937516	SZLZZAFBMDFSPT-VQHPVUNQSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@@H]1C)[C@@H]1CC=CCC1	2310433727	DHYMQZUXITVNIW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)C[C@@]23CCCC[C@@H]2C3)C1	2311160185	XPJNYWSRGMZTPE-UTSKFRMZSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCC1	2311525006	WMMKUHWLVXENIH-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1	2311525768	GSTKHZMNXKVRJV-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H]1c2ccccc2NC[C@H]1C	2311573184	DFUQSPXNXKKLJJ-NYTXWWLZSA-N	243.394	4.658	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1CCC[C@@H]2CC[C@H]12	2312332962	UAXKNRHCOADKAO-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@@H](CNC)c1ccc(C)cc1	2316240037	LKYFCIRPRPARDK-KRWDZBQOSA-N	247.426	4.514	0	10	BJAE	
CCC[C@@](N)(CCC(CC)CC)c1ccccc1	2316271561	RMRQZJXEGBBCMM-QGZVFWFLSA-N	247.426	4.857	0	10	BJAE	
CC(=CCN[C@H]1C[C@@H]2CC[C@H]1C2)CCCC(C)C	2316489600	IDKRNSKTLWLTSL-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1C[C@H]1C1CCCC1	2317005463	WECKBZXCKADUPD-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
CC(C)C1CC([C@@H](N)CCCC2=CCCCC2)C1	2318594179	CRMHWEDVXNSXII-JCYILVPMSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@@H]1C=CCCCC1	2318876953	KKBZQZLLCXWUCR-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1	2319288739	LOGCPEVCTDOOGI-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@H](N)CC[C@@H]2CC[C@@H]2C2CC2)CCC1	2319701543	YZSDVRGFLUXCAI-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1N[C@H]1CCCCCC12CC2	2320150556	VJTIHPHQUCLQJE-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)C1	2321626582	GYLVQZGVERXPGV-YXWQFLTLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](C)[C@H](C)NC(C)C)c1	2327792275	ZWKFRUAIHBITRA-CABCVRRESA-N	247.426	4.608	0	10	BJAE	
Cc1ccc(N[C@H](C)c2cc(C)oc2C)c(C)c1	20437280	IJPOBNRQVDODIE-CYBMUJFWSA-N	243.350	4.686	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cc(C)ccc1F	20471606	BYXLLKXIZUCLRF-AAEUAGOBSA-N	237.362	4.761	0	10	BJAE	
CCN[C@@H](CC(C)C)c1c(C)c(C)cc(C)c1C	35547156	WTYGBPUYQMEWFI-INIZCTEOSA-N	247.426	4.617	0	10	BJAE	
CCCC(CCC)Nc1ccc(Cl)c(F)c1	37070070	LZQSXIURIQBABE-UHFFFAOYSA-N	243.753	4.860	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@H](C)C1)c1ccc(C)cc1	37248533	DHANXGYPWPGRLF-XIRDDKMYSA-N	245.410	4.614	0	10	BJAE	
CC(C)=CCC[C@@H](C)COCc1ccccc1	38221733	AELLHPKZDLHVFJ-OAHLLOKOSA-N	232.367	4.586	0	10	BJAE	
Cc1ccc2ccccc2c1-c1ccccc1	71253231	AFNPKVCOEPJJLV-UHFFFAOYSA-N	218.299	4.815	0	10	BJAE	
CCC[C@@H]1CCc2[nH]c3c(C)cc(C)cc3c2C1	87818883	QMFSCTDKSWADTR-CYBMUJFWSA-N	241.378	4.690	0	10	BJAE	
CCC[C@H](O)c1cc2c(C)ccc(C(C)C)c2o1	88072496	XLPNOAIOPNOYLT-AWEZNQCLSA-N	246.350	4.698	0	10	BJAE	
C1=CCC2=Cc3cc4ccccc4cc3C2=C1	90750994	RZKOXMMPOZMIOS-UHFFFAOYSA-N	216.283	4.580	0	10	BJAE	
CCCC[C@H](CC)CNc1cc(F)ccc1F	104008477	JMNXHGBQVJLEPF-NSHDSACASA-N	241.325	4.593	0	10	BJAE	
CCC[C@H](CC)N[C@H](c1ccc(C)cc1)C1CC1	109944371	FKKRSMDWJFCQQN-DLBZAZTESA-N	245.410	4.614	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)c1ccccc1C	110229211	FEUPBQUPVXYEPL-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCCCCc1cccc(CCCCC)n1	113387371	NEKHOPLQKSGKJJ-UHFFFAOYSA-N	219.372	4.547	0	10	BJAE	
CCCC[C@H](C[C@@H](C)CC(C)(C)C)NCC	124699709	APTZQZMWUYDJNI-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H](C)CCC(C)C	128650832	DXQDWOBBJHRRCQ-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CCCCCC[C@H]1CCCC[C@@H]1CNC(C)C	130150957	DHWTXLLQUZCXPD-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1-c1ccc2ccccc2c1	146741992	FCVQDADWCGVNDK-UHFFFAOYSA-N	218.299	4.815	0	10	BJAE	
CCC(CC)COc1ccccc1C(C)C	149500963	RWQYWXVZNXYVRM-UHFFFAOYSA-N	220.356	4.625	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCC[C@@H]1CNC(C)C	155625418	XAWFVCFNXFQDMR-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CNC(C)(C)C)C(C)C	164421047	YHWCNOMDPYVKBE-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@@H](C)Nc1nc(Cl)cs1	165005784	FRXXTRWXRUXSNS-SECBINFHSA-N	246.807	4.567	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@@H]1CCCC[C@H]1CC	166800331	JACMZNUUNGHZKN-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](O)c1c(C)c(C)c(C)c(C)c1C	167631248	CAIWJHGVSVDIJX-QFYYESIMSA-N	248.410	4.698	0	10	BJAE	
CCCCCC[C@@H](O)c1ccccc1C(C)(C)C	168238833	PQHUYZBFRVDHJY-MRXNPFEDSA-N	248.410	4.988	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1Nc1ccccc1Cl	221645631	UAVPQCYUPYAPMI-MDZLAQPJSA-N	237.774	4.577	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@H]1CCC[C@@H]1C	226564477	XMDXCVSNUXCYFU-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC(CC)CC)c1cccc(C)c1C	229155415	CJGRBEXMLGBMJJ-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)CCC2CCCC2)C1	229481396	GYHQNRMGQNMKCJ-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CCC1)Nc1ccc(C(C)(C)C)cc1	229668114	KJBZJKMHTRXSMJ-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
Cc1ccc([C@H](N)CC2=CCCCC2)cc1Cl	231990788	SNLWPRNPDOHNGN-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2cc(C)ccc2C)C1	235394620	BBEHETPSUKWTHB-BBRMVZONSA-N	243.394	4.708	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@@H](CCC(C)(C)C)CN2	235833052	GCKPDXZEBUZYHA-ZDUSSCGKSA-N	231.383	4.639	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CC[C@H](C)[C@@H](C)C1	253040567	KNHJGSFDJXPBCR-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCN)c1cccc(C2CCCCCC2)c1	258374831	QPMILSBUWDKGPQ-AWEZNQCLSA-N	245.410	4.577	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)C1(C)CCCCC1	300245153	ODZDJWWLOUWEDK-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)CCC1CCCC1	304187358	SQACNMCKRHRKDL-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC(C)CNC[C@@H](C)[C@@H](C)CCCC(C)(C)C	305907181	GFFNNHNPCWMHAX-LSDHHAIUSA-N	241.463	4.721	0	10	BJAE	
Fc1c(Cl)c(C(F)F)cc2ccsc12	307278710	VEVUJHAREPZKKI-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@H](CC)CC(C)C	308100700	REXOZFSSIVZZCX-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@@H](C)c1ccc(C)cc1C)C1CC1	310639545	ASIQBCBBXZEZBI-YOEHRIQHSA-N	245.410	4.533	0	10	BJAE	
C[C@@H](N[C@H]1CCCC12CCCCC2)C(C)(C)C	313030428	ITCSUAPUQKRWHF-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC(C[C@@]2(C)CCC[C@]2(C)O)CC1	313116019	PWUSRMFVWMJNCK-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](NCC2=CCCCC2)C1	379585640	ZCKIJNNEGRJODY-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](n2ccc3cc(F)ccc32)C1	379616933	DIWWSICQAZLRTH-BXUZGUMPSA-N	231.314	4.532	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CCCc1ccccc1	380910660	VEJUFXSATNNDNS-UHFFFAOYSA-N	246.394	4.651	0	10	BJAE	
CCCC[C@@H](CC)CNC1(CCC)CCCC1	382327491	YIBRCKKGZFSKHS-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCc1ccc(N[C@H](C)C2CCCC2)cc1C	383120742	GHGYACXDBZINDW-CYBMUJFWSA-N	231.383	4.548	0	10	BJAE	
CC[C@]1(CCCCCC(C)C)CCCCCN1	383288903	QOCTVZPXOFXWGT-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
Clc1sccc1N[C@H]1C=CCCCCC1	387317249	BADUMUNAMKYMRT-JTQLQIEISA-N	241.787	4.702	0	10	BJAE	
CCC(C)(C)CCNC(CC(C)C)CC(C)C	686310130	PXIKLJMTXQZAIG-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)c1cccc([C@@H](N)C2CCCCC2)c1	687725576	HVPYKKBMFGGXSE-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](CCCC1CCC1)c1cccc(C)c1	688403188	CRFKKGHUFFMLJY-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
Clc1cccc2c1ccn2CCCC1CCC1	688857224	OXGPRPBNRSQBKP-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccc(C3CC3)cc2)CC1	690101529	CWFIDVLPHOCNQD-XJKSGUPXSA-N	243.394	4.945	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCCCC[C@H]1C	691079882	MTUYOROMRTVAGS-BXUZGUMPSA-N	235.346	4.515	0	10	BJAE	
CC(C)(C)c1ccc(Cl)c(CC2CC2)c1	694973770	PSMCMQXJXRLECF-UHFFFAOYSA-N	222.759	4.590	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)[C@@H]1CCCC2(CC2)C1	695987454	XYCKVLDZWFSDNQ-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@H]1C1CC1)C1CCCC1	696060645	MMZDDLODBFWPJT-ULQDDVLXSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@@H]2C2CC2)cc1C	696102221	BRBVIPKJOFPKDV-SJORKVTESA-N	243.394	4.684	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CCC(C)(C)CC	696568801	UZDFYEGAYMSGPD-KGLIPLIRSA-N	228.420	4.780	0	10	BJAE	
CC(C)CCCCC[C@H](CN)C1CCCCC1	696863536	ZNEHMMGJAZDBIV-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CC(C)=CCCc1cc(C)ccc1Cl	698010813	SWFXXEALIWZHIX-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CNCC1(CCC=C(C)C)CCCCCCC1	698021506	BSXCUMHBYRWZSP-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC1CCCCCC1	701089531	BTBVUCKCRJLTPI-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@H](CCCC(F)F)NCC	701752771	XCYJEAFZAYXLEO-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCC(C)(C)CC[C@]1(CNC(C)(C)C)C[C@H]1C	703339372	COQBIVVGNXGSTQ-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(CC1CCCCC1)[C@@H]1CC1(C)C	704474161	LSTPAIBVFOSTLV-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@@H]1CCC[C@H](C)C1	704957522	OVNRCDMNTBFYHH-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@@H](C)CC(C)(C)C	708256872	VYAJAFRAGVYCHF-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCc1cccc([C@H](N)[C@@H](C)CC(C)(C)C)c1	708258764	XSUCGCUPCZSCAU-XJKSGUPXSA-N	247.426	4.711	0	10	BJAE	
Cc1ccc(F)c(OC[C@@H](C)CC(C)(C)C)c1	709117532	ZFYAGWIOPZFKGX-LBPRGKRZSA-N	238.346	4.585	0	10	BJAE	
C[C@@H](CC(=O)C(C)(C)C1CCC1)CC(C)(C)C	709122968	CHAFOZQJUNGAFY-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
C[C@H](N[C@H](C)C1CCCCC1)[C@]12CCCC[C@@H]1C2	709157648	WFQZIUINYHDGBN-YALNPMBYSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C23CCC(CC2)CC3)C1	710264821	ZTCRADHIIPWWMS-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)C(C)(C)C(C)(C)C	711157886	LXQSIVCPQRFCPA-CHWSQXEVSA-N	241.463	4.719	0	10	BJAE	
CCCNC[C@H](CC(C)(C)C)c1ccccc1C	713139766	JWVGWFDQJJMDGD-HNNXBMFYSA-N	247.426	4.514	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC(C)C)CC=CCC1	713153153	OTCZWVXSUPJAGD-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
C=C/C=C\CCCC(F)(F)c1ccccc1	713676190	XMWXFYAXHGFKSF-ARJAWSKDSA-N	222.278	4.691	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)[C@@H](CC)CCCC	713689378	ZBMSFMUMGRQRPU-VTBBSMOISA-N	237.431	4.703	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@@H]32)CC1	714313802	UEGAYZKHLOMNMM-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1NC1CCC2(CC1)CC2	717484556	CMPQVZLTSAJUBM-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)CCC(C)(C)C	718573908	RLMDDKCYJUMDGO-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CCC(C)=C(C)C)C1	719176357	OMIKOCPWNKADKD-CABCVRRESA-N	236.399	4.908	0	10	BJAE	
CC1(C)CC(Cn2ccc3cc(Cl)ccc32)C1	723547595	KTEMMRPGKALBGG-UHFFFAOYSA-N	247.769	4.731	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@H](C)c1ccccc1	1181891547	BWXUCOBTDMFCBA-JKSUJKDBSA-N	245.410	4.515	0	10	BJAE	
CC(C)c1ccc(C=CCCNC(C)(C)C)cc1	1876996484	KHRYCZZCNZEZBD-UHFFFAOYSA-N	245.410	4.601	0	10	BJAE	
CCC(C)=CCC(=O)C[C@H](CC)C(C)(C)C	1900857747	JLMJRDLERSEGMV-ZDUSSCGKSA-N	224.388	4.764	0	10	BJAE	
CCC[C@H](CC)CC(=O)C(C)(C)C1CCC1	1905452142	YMNAYBCQDLDVCP-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(=CCCNC(C)(C)C)CC1CCCCC1	1905733411	WMOOHENPNOBQIV-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC[C@@]12CCC[C@@H]1C2	1908422523	PMZAFLYMJFMCPF-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@]1(CNC(C)(C)C)CC[C@@H](C)C1	1911922460	KMAXZPOVODLRLT-WBVHZDCISA-N	249.442	4.703	0	10	BJAE	
Cc1ccc(C(=O)C2CC3(CCCCC3)C2)s1	1912628884	QFIIBFYEBIZGJD-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C1CC2(CCCCC2)C1	1912634256	LEBGDFJUGYXYQN-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C=C1[C@H](CN)CCC12CCC2)CC(C)(C)C	1924938414	CYDDBWIPAMNVFL-KGLIPLIRSA-N	249.442	4.524	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2C=CCCCC2)c(C)c1	1925765129	KTMKYSMFOPRVHP-HNNXBMFYSA-N	242.362	4.623	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)C1CC(C)(C)C1	1925936512	UUYPOMIUWFXNQN-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CC[C@@H]1C=CCC1)CC(F)(F)F	1932591903	DQDFYWGDRGMKBM-SNVBAGLBSA-N	220.278	4.711	0	10	BJAE	
CC[C@](N)(CC1(C)CCCCC1)C(C)(C)C	1935622985	MIOFSJWODUSQMG-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC1(CC(=O)[C@H]2C[C@@H]2C(C)(C)C)CCCCC1	1940379952	PPNZVXCDTQDRJT-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CCC[C@H]1CC1(C)C	1941251713	MLPOZTNOKFFKOB-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
O[C@H](CCCCCC1CC1)CC1CCCCC1	1941575489	NMRQOHLHSQNKRJ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC[C@](O)(CC1CCC=CCC1)C(C)(C)C	1941794661	XVDNZDJDLCFCKM-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)C(C)(C)C1CCCCC1	1944647202	UCFYKNPDOMJKTJ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@H]1CCC[C@@H](C)C1	1947470667	VFWALWCXNHLVQA-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC(C2(O)CCCCCCC2)C[C@H](C)C1	1947545286	DMMDARSUCLBSID-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NC1CC(C)(CC)C1	1948396966	CUZNXXUJULNKNG-UIDBIOKJSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CCCC1CCC1	1949015412	SLCKRULBCCTMIR-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H](N)[C@H]1CCC2(CCCC2)C1	1949536359	ZQMYFRIEDAOPBH-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)c1nc2c([nH]1)[C@H](C)CC[C@H]2C	1949762647	RIAKKXNVJRUDHL-UTUOFQBUSA-N	234.387	4.560	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CC(=O)CC1CCCC1	1949862559	RKMQQGBVCIJYGO-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
NCC[C@H]1CCC[C@H](CCCCCC2CC2)C1	1950517811	XYNYZZZPMZOMPE-JKSUJKDBSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)[C@@H]1CCCC(C)(C)CC1	1950920004	RBJLTLPKTJSJHS-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CCCC(C)(F)F)CC1	1950930703	QUUHLNRJEWGFDF-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCN[C@@H]([C@H](C)CCC(C)C)C1(CC)CCC1	1951243810	LXTJNPRAFARJQU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1Nc1ccsc1Cl	1959203856	HUVYOOGZMZRNIM-VHSXEESVSA-N	243.803	4.638	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCc1cccc(C)c1C	1963172832	BYJYYBRLJFLFSF-GUYCJALGSA-N	247.426	4.608	0	10	BJAE	
CCCc1ccccc1CNC(CC)(CC)CC	1966288008	LFOAGFRJQCPMOM-UHFFFAOYSA-N	247.426	4.698	0	10	BJAE	
C[C@@H]1CC[C@H](CNc2ccccc2C(C)(C)C)C1	1968320506	NJQKBCPVCNRICW-KGLIPLIRSA-N	245.410	4.832	0	10	BJAE	
Cc1ccc(OC[C@@H]2[C@H]3CCCCC[C@H]32)c(C)c1	1968397116	WHCCXRNDSUYRMG-ZSHCYNCHSA-N	244.378	4.509	0	10	BJAE	
CCCCC1CC(N[C@@H](C)c2cc(C)oc2C)C1	1969058195	SQRMGADAGFBNHE-GRTSSRMGSA-N	249.398	4.516	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](CC)C1CCCCC1	1969916745	DERLSQLBRYDLQH-DZKIICNBSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(C)N(C)Cc1cc2ccccc2s1	1970203867	ITZBWMAWMWALGP-UHFFFAOYSA-N	247.407	4.522	0	10	BJAE	
CC(C)(CN[C@H]1CCCC12CC2)C1CCCCC1	1970815121	XYOVVEVTDKRBMY-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1cccc2ccsc12	1971686547	SBKZDLSJCXSZJT-NSHDSACASA-N	245.391	4.892	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)CC(C)=CCl	1978664074	LTTZAYKJVXKPOX-CQSZACIVSA-N	245.838	4.714	0	10	BJAE	
CC(C)(CCCC(=O)c1cccs1)C1CC1	1980688156	UONPRPKDJSYKPU-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC[C@@H](C)C(=O)C1	1982776815	DYPHYKZZXDGDHU-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](CC)CCC(C)C	1986936800	GTYFARGNSJBZQR-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)C(C)=C(C)C	1989664890	MUDRHZFDQDHLAP-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCN[C@H](CC(C)C)[C@@H](CC)C1CCCCC1	1996595814	YSGRTCIISBXUSO-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)C1CC=CC1	1997543850	MBGJYLPYWHURLY-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC1CCCCCC1	1998380014	KFCYGUZUJMJXII-CQSZACIVSA-N	235.415	4.578	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCC=CCCC2)C1	1999984211	VRIPPHLPZCDMGU-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC=CCCC1)CC(C)(C)C	1999991813	SFAAALWXXUGTAW-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]([C@@H](C)CC(C)C)C(CC)(CC)CC	2000375236	AEYVCQOCCYXDRR-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC1(CNC2CCC2)CCCCC1	2000659164	CEVGSMKUGYJKGK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@](O)(CC)C[C@@]1(C)CCCCC1(F)F	2002585374	AMYUMCKMQNMBCP-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C(CC)(CC)CC	2004227563	SVIPHPISJOQTGB-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CCC[C@H]1C[C@H]1NC1CCC(CC)(CC)CC1	2004342311	RGFZTTDZJHTANT-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)CNC1CCC(CC)(CC)CC1	2004369583	POZMFBTVKJGGHP-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC(=O)C[C@@H](CC)C1	2006673547	LYROIEFRJIUELN-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCCC(C)=C1C	2006921294	FEMXUVUVKQLPDN-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CCCC1(CN)CCC2(CC1)CC2	2007668890	YMGWOAZYRHOHLI-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H](C)CC(C)C	2009635930	SAIGULKYIGKXQY-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@](N)(CC)C1=CC[C@@H](C(C)C)CC1	2010735317	BYRQWDWXDDBAQV-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)CNc1ccc(C(C)(F)F)cc1	2012749928	RZTSGZCVZRQJFA-UHFFFAOYSA-N	241.325	4.646	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCC[C@H](C)[C@H]1C	2013263745	JEBRBOKLHKNEFW-ZJIFWQFVSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)C1(C)CCCC1	2014328781	KWHKIGNZQAWMOT-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)C1(C)CCCC1	2014337886	FYIZDDGPSGVSEG-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@](C)(CNC)CC(C(C)C)C(C)C	2015412949	RBDRLSFWVPAXAK-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1(CC(C)C)CC1	2015755402	QZJJIWHCOZSRSX-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCC1(C(C)C)CCC1	2017131467	QBSMNGIARAOJFV-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CC1(C(C)C)CCC1	2017141352	OLKYUDBGFARRKL-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(C)(C)C[C@H](C)O)CC1	2017724611	HMKCZZHUKCICQN-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCC(F)(F)C(C)(C)C[C@@](C)(N)C(C)(C)CC	2017791863	IVOWGFDYDRRNMS-CYBMUJFWSA-N	249.389	4.602	0	10	BJAE	
CCCC1(CC(CC)(CC)CNC2CC2)CC1	2018984920	LJKQHMRIYIFTMZ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCCCN(C)C[C@@H]1CCCC(C)(C)C1	2019292082	VHDNVZKDUCNAEJ-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCCNCC(CC)(CC)[C@@H]1C=CCCCC1	2019502826	JHJHMBHNUQMBKL-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CC2=CCCC2)CC1	2019777063	IKZOLCQMNCTYIS-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1C[C@@H]1C1CCCCCC1	2022388500	RBIXWZLHDUTWEU-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCCCCC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2022417430	MPRKSGKNHVZKOB-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)C(=O)C[C@@H]1C[C@@H]1C1CCCCCC1	2022553168	DKZPGPBUMOBTGS-AEGPPILISA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)CC1CCCCC1	2022557004	KLRVWHDXCXYJAA-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
CCCC1(NCCCCC(C)(F)F)CCCC1	2023290928	WMQCHHORJOCHTR-UHFFFAOYSA-N	247.373	4.514	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CCC[C@@H]1CCC(C)(C)C	2024001283	QCFJWNOIUPXMLN-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@]2(C)C=CCC2)C1	2024091188	GCHZLSDXOPPIPL-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
C[C@H]([C@@H](N)C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2024095567	RGRULBINGCWHMK-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](C)[C@H]1CCCC(C)(C)C	2024510411	YACNCJOCRJXWIM-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CC=CCC1	2026075015	RBQHLBQCKGROPB-LSDHHAIUSA-N	236.399	4.908	0	10	BJAE	
CC1(CCC[C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1	2027831235	GROBEMVBXISQFS-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc2c1NC(CC(C)C)(CC(C)C)O2	2027866517	NXUSVFZDHHRSAP-UHFFFAOYSA-N	247.382	4.588	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)[C@H]1CC[C@@H](C)C1	2028896953	HZASKOQPRSHALT-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)C1(C)CC(C)C1	2029112187	OXKPDTOWBAFOBV-BLDCVEFLSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](CCC1CCC1)[C@@]12CCCC[C@H]1CCC2	2031760128	KKTKIODTHORAFX-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1(CCC[C@H](N)C23CCC(CC2)C3(C)C)CC1	2033435552	SQDXOECCCFGGFZ-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H](CC2CC3(CC3)C2)Nc2ccccc21	2036724471	MVZGUMYYTYJKIO-TZMCWYRMSA-N	241.378	4.555	0	10	BJAE	
CCCNCC1(CC2CC3(CC3)C2)CCCCC1	2036730598	IABXGCIPTUKVQL-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC(CC)C[C@H](N)[C@@H](c1ccccc1)C(C)C	2037096393	CRIYIUFNIZDFET-DLBZAZTESA-N	247.426	4.580	0	10	BJAE	
CC1(C)CC[C@H](Oc2ccc(C(C)(C)C)cc2)C1	2037681780	IFPFNSLZYYKXJF-HNNXBMFYSA-N	246.394	4.942	0	10	BJAE	
CN([C@@H]1CCC(C)(C)C1)[C@@H]1CCC12CCCCC2	2037682106	KIQZCUMYXMHYJH-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1CC[C@H](C)c2[nH]c(C3CCCCCC3)nc21	2038008502	ZLXWYVKASJPUDB-RYUDHWBXSA-N	246.398	4.848	0	10	BJAE	
C[C@@H]1CC[C@H](C2(N)CC3(CCC(C)(C)CC3)C2)C1	2038893411	NVDSUWIDAAKJTK-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC2CC2)CC12CCCCC2	2039006313	OLZXMDDTHIQRSM-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](NC[C@]1(C)CC=CCC1)C1CC1	2042071596	IFDUVWLFUCPBNC-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
C[C@]1(CNCCC2CCCCCC2)CC=CCC1	2042072756	SHZLRYGPJORXQI-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)CC2CCC=CCC2)CC1	2045312563	ZVUGIQPBGGKMKJ-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
CC(C)C1CC([C@H](N)C[C@H]2CCC=CCCC2)C1	2045330247	UUUBWAMARIEBLW-ZGRYLRDCSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC=CCCC1	2045332489	PFDRBYUVJDJJIL-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2047342186	VJPHSKGIKXPRSI-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CCCCCC[C@H]21	2047438429	SJTZDPIXZVMBKE-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	2048435848	GCKZXSVKMCRHAS-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)C[C@H]2CCCC3(CC3)C2)C1	2049867870	XYSSAVTYLOOYNM-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@H]1C=CCCCC1)c1ccccc1F	2050495621	WCNHFAHYUUKDJD-ZDUSSCGKSA-N	246.325	4.535	0	10	BJAE	
CNC[C@@]1(CC2CCCC2)CCCCC12CCC2	2053356212	KSTDOVUVNJWYHP-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCCNC[C@@]1(CC2CCCC2)CCCC12CC2	2053362680	XXIFAGFZPSUNCV-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)CC[C@@]1(CNC2CC2)CCCC12CC2	2053363935	HROZPANUHBGXDA-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1(C)CCC1)[C@H]1CCCCC12CCC2	2053413052	SAAKUQCVXIGKLI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(Cl)c(C(F)(F)F)c(C(F)F)c1	2054896031	WACAIASHSOTMQK-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1C(C)=CCC[C@@H]1C	2059246633	FSYJPYCUXOXRHM-BFXBUTIFSA-N	249.442	4.703	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1CC[C@@H]2C[C@H]2C1	2059255455	HXJPBWJOSZFTEW-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CSc1ccc(C(F)F)c(Cl)c1Cl	2060059388	ILBCKHGBEWYUKO-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
C(CCC1CCOCC1)CCC1CC(=C2CC2)C1	2061718362	KLPYAHLXPGEXKL-UHFFFAOYSA-N	248.410	4.864	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](N)CC12CCC(CC1)CC2	2065302590	JHFGLJXNNKWIRA-CGBMDKKTSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC12CCC(CC1)CC2)C1CCC(N)CC1	2065340858	ZXLIDTXMJKPAFE-SIGVMEELSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C[C@@H](C)c1ccc(CN)cc1)C(C)C	2069016137	NYTZPESKJJDSFL-CQSZACIVSA-N	247.426	4.567	0	10	BJAE	
CN[C@H](CC[C@H]1CC12CCC2)CC1CCCCC1	2069183420	SLUMRJUZWYOAOS-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(CN[C@H]2CCC3CC2C3)CCCCCCC1	2069354089	QWDMXWALHHCJRN-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2CC[C@H]3C[C@@H]2C3)CC1	2069355133	ZBJAOWMYSVDCON-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2070946120	DRUYVXHYOAVNEV-OWVAZHOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(C[C@](C)(O)c2ccccc2)CCC1	2071900885	CWNYLEIOIPFIKT-INIZCTEOSA-N	246.394	4.501	0	10	BJAE	
CC(C)(C)C1(CN[C@@H]2C=CCCCCC2)CCC1	2071934665	XFZXATAAOAUXQX-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)C=CCCC2(C)C)CC1	2072815998	RBFLTIILGSUCEU-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCC3(CCCCC3)C2)C1	2074892669	OTZFRTLHKXFLSP-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCN(C[C@@H]1CC12CCCC2)C1CCCCCC1	2076553521	BUTLGSYXLDDIQX-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCCN(CC12CCC(CC1)CC2)C1CCC1	2076759044	ZIQKCBAMCKXCQS-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@@H]2C2CCC2)CC1	2079329935	VKHSRVSMOTXKIA-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
C1CCCC([C@H]2C[C@@H]2NCCCCC2CC2)CC1	2079533252	YJXCZIVNNWCIDK-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCC[C@@H]3CC[C@@H]32)C1	2082976589	RVEBWBNYLHXWQV-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)C2CC3(CCC3)C2)C1	2082977120	WRKKJQROZBWPKN-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CCCOc1cccc2c(C[C@H](C)CC)coc12	2086605384	IEQOATWOZGJMHD-GFCCVEGCSA-N	246.350	4.810	0	10	BJAE	
CC[C@H](C)C[C@@H](O)CCCCCCC1CC1	2210527569	TUTZXGNBLAUVFY-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
Clc1cccc(CC=Cc2ccccc2)c1	2210662191	KRYCESAASYIQEM-UHFFFAOYSA-N	228.722	4.596	0	10	BJAE	
CCC(C)(C)NCCCCCCCC1CC1	2212463827	SLBNGFDLJCSEJS-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
C[C@@](N)(CCCCCCC1CC1)C1CCCC1	2213571235	GEJAQQHDZRJKSL-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@]1(O)CCC[C@]1(C)CCCCCCC1CC1	2213576560	REROIHNEXFMZLN-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](O)CCCCC2CC2)C1	2214568274	ISCQSPYPZOHCKE-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@H](C)CCC	2214586763	XFJOIWGKWSYYHB-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CC1[C@H](C)[C@H]1C	2214998068	XUJYUBPCMUUEEW-GHMZBOCLSA-N	247.769	4.505	0	10	BJAE	
CCc1cscc1C(=O)[C@@]1(C)CC=C(C)CC1	2215822677	AEZCCKLOEPBNPW-HNNXBMFYSA-N	248.391	4.630	0	10	BJAE	
CC(C)CCCN[C@@H]1CCC[C@H](C(C)(C)C)C1	2216259107	SFMCEOUJVWWUBO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCCC(F)F)CC(C)(C)C	2216449514	NRZBZDFQKCDAJJ-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1CC[C@H]1[C@H](N)CCCCCCCC1CC1	2216878187	TVENSRYWNFAIFD-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)c1ccccc1CCC(C)(C)C	2218535725	WJYYQBGNJLHPAD-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
C(CCC[C@H]1CCNC2(CCC2)C1)CCC1CC1	2218729157	XRSYWCIYZLGZJH-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCNCCC(C)(C)C/C=C/c1ccccc1	2219092837	JNWKNIMJQAKYOA-DHZHZOJOSA-N	245.410	4.506	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)C/C=C/c1ccccc1	2219096329	UXUCYMLWKQVGSS-ALTKIIGISA-N	245.410	4.504	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@@H]1CCCCC1CC1	2220043071	AZTGOZUQBDHXSB-XJKSGUPXSA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CC2(C)CC3(CCC3)C2)C1	2221029089	WXALZQYOTCOCQU-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@]2(C)CC=C(C)CC2)C1	2221598715	CKHMCTZXVSXLRV-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2C[C@@H]2C2CCC2)CC1	2221642519	GLWUFLVHJXLPSC-INMHGKMJSA-N	246.394	4.518	0	10	BJAE	
C(CCCN[C@@H]1C[C@@H]2CCC[C@H]21)CCCC1CC1	2223158606	KXROXLXFVUKTSC-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)CC2(C)CCCC2)cc1	2223965869	PGWATHGVNCCNOB-CQSZACIVSA-N	244.378	4.638	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCCC(C)(C)C)NC	2244785176	WNXGKHMYDKOIHE-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C(=O)c1sccc1C1CC1	2244786614	VQVUEIPQVVVJMV-JTQLQIEISA-N	236.380	4.635	0	10	BJAE	
CCCC[C@@](O)(CC)CC1CC2(CCCC2)C1	2246780310	IOKATQSSSCBXBR-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@](O)(CC1CC2(CCCC2)C1)C(C)(C)C	2246789337	BAKWEBVURVUICR-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C[C@@H](N)CC1=CCCCC1)C(C)(C)C	2247466531	BDZSZBNGJSBOHP-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](C)N(C)CCCCC[C@@H]1C[C@@H]1C	2248836874	BPBLAVPLPASEMP-HRCADAONSA-N	239.447	4.713	0	10	BJAE	
CC=CCCC[C@]1(N)CC(C)(C)CCC1(C)C	2251664025	GFFSZTWYSGSGDF-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@H]1[C@H](N)C(C)(C)CCC1(C)C	2251714732	YVUCJCBAPCOLDV-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
O[C@H](c1ccc2ccsc2c1)C1CCCCC1	2253060701	LPHUZHWBDRXJOQ-HNNXBMFYSA-N	246.375	4.515	0	10	BJAE	
CC(C)(C(=O)c1ccc2ccsc2c1)C1CC1	2253074735	DGZBEQIVVDJGRM-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CN[C@@H](C[C@@H]1CCCCC12CC2)CC1(C)CCC1	2253782805	LGNDRZKMTUQHES-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@@H](N)CC[C@H]1CCCCC12CC2	2253821027	ZKYCBRMXOVNVOY-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCN(CC[C@@H]1CCCCC12CC2)C1CCCC1	2253858841	WLIWIPNFUQOKAX-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NCC1CC2(CCCC2)C1	2254082555	QJMIOBUBOVWJGC-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1CC1CC2(CCCC2)C1	2254113144	MOWHLYJNQSUZNU-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C)c1cccc(CCC=C(C)C)c1	2254223690	JDURHKHTMRSGDH-OAHLLOKOSA-N	245.410	4.646	0	10	BJAE	
OCC1(CC2=CCCCC2)CC2(CCCCC2)C1	2255062483	IBMGTFYZQNYGBG-UHFFFAOYSA-N	248.410	4.600	0	10	BJAE	
O=C(CC1=CCCCC1)[C@@H]1C[C@H]1C1CCCCC1	2255138351	ZSGVURAMUISOPN-JKSUJKDBSA-N	246.394	4.662	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)CC[C@@H]1CCCC12CC2	2255332288	SKZVWHXRVWUEDL-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@@H]2CC23CCC3)cc1C	2256451468	KNVMREQFAFILLN-CJNGLKHVSA-N	243.394	4.548	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2cccc(C(C)(C)C)c2)C1	2257944150	FJJBSASBIFEBST-ZFWWWQNUSA-N	245.410	4.975	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1ccccc1C1(C)CC1	2259449563	WHZFFILFCFFVDU-BBRMVZONSA-N	246.394	4.598	0	10	BJAE	
CCC[C@H](CC)CNc1cccc2c1CCCC2	2259477100	GETRVGPXTNMJCC-AWEZNQCLSA-N	245.410	4.804	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1C[C@H](N)C12CCC2	2259678668	NOPQJGUMCDIHOS-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
CCCCN(C[C@@]12CCCC[C@@H]1CC2)C1CCC1	2260564629	HIVBHGIKFCZQJY-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
C[C@]1(C(=O)C[C@]23CCCC[C@@H]2CC3)CC=CCC1	2260568653	LCYRPJQJZDEMLN-HYVNUMGLSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@]23CCC[C@H]2CC3)CC1	2260653069	WODBMYBSYLXVCB-BHYGNILZSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC1CC([C@@H](N)C[C@@H]2C=CCCC2)C1	2261194509	QTWYXZYVXYAGQJ-LMPOIIKSSA-N	249.442	4.523	0	10	BJAE	
CC(C)CC(=O)CCc1cccc(C(C)(C)C)c1	2261362467	UEZDOFBUXLTZMG-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](N[C@H]2CCCC23CC3)C1	2261403879	YCKAGLMWIPFHJL-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CCN(C)CC1(CC(C)C)CC1	2300676119	LIWOCFNVCJUJNM-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC(CC)CC[C@H](CC[C@H]1CC1(C)C)NC	2300684472	VBVZERPUCWMFHT-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(CCC(CC)CC)CCCCCN1	2300702357	WOMSERPLJIJNBX-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC(C)(C)C)C[C@@H]1C	2300703680	JCBYMWUGWLNZTH-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC1(N)C[C@H]2CCCC[C@@H]2C1	2300705936	JQQKWHHANROJLG-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC=CC[C@@H](CC1CCCCCC1)NCCC	2300895947	CMPAIZCOJDDQOE-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](C)[C@@H](C)CCCC1=CCCCC1	2302325398	HDCNBHKFHJSXKN-GJZGRUSLSA-N	237.431	4.681	0	10	BJAE	
C[C@H](CC[C@@H]1CCC(C)(C)C1)CNC(C)(C)C	2302760642	KGUMKVCWGUKGHB-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCc1cscc1NC[C@H]1CCCC2(CC2)C1	2302888849	DEOHZFQYOSDHCK-LBPRGKRZSA-N	249.423	4.693	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CCCCC1CC1	2303445362	QJMMIXKWPWCIIP-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CCC)CCCCCN1	2307819426	LMIHWZUGDBHOIA-HZPDHXFCSA-N	239.447	4.905	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1C[C@@H](C)C[C@H](C)C1	2307833820	DYXSPSKTVYUCMB-YXWQFLTLSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(N)CCCCCC12CC2	2307898742	MLEHJIPXUPJNPD-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)CC(N)(CC(C)C)CC(C)C	2307904667	VTWQKPBUFABPJN-HNNXBMFYSA-N	241.463	4.993	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@@H]1C[C@H]1C(C)(C)C	2312836960	CWFAJQUEHVFZPI-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@H](C)CC1CC1	2313669219	QVLSHVCVVBOLRX-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@@H]1CCC12CCC2	2316886977	UBSALKXLWILYKG-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1[C@H](O)[C@H](C)[C@@H](C)C(C)C	2317834526	KDRAYDFGZPWCGI-JJRVBVJISA-N	248.410	4.601	0	10	BJAE	
CCCOc1ccc(N[C@@H](C)[C@H](C)C(C)C)cc1	2317994685	KMJLRYBZCZCTON-KGLIPLIRSA-N	249.398	4.568	0	10	BJAE	
C[C@@H](NCCCC1=CCCCC1)C1CCCCC1	2318528785	JHWZMQWNIAHXTD-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CCC2)CCC(C)=C(C)C1	2320264979	DJZAREWNBCLSCV-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CCCN(C[C@H]2CCC(C)=C(C)C2)C1	2320333546	HVTIDHVRFURUBU-IRXDYDNUSA-N	249.442	4.635	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](NC)[C@@]1(C)CC=C(C)CC1	2320435339	XMQSVZRJHHBGDC-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)cc(NCC2(C)CCCCC2)c1	2321077834	YLBPFCCRMSULAC-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
C(CCCC[C@@H]1CC2(CC2)CN1)CCCC1CC1	2321246797	GGMFXUKBRNGLRT-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCc1ccc(OCC[C@H]2CCC(C)(C)C2)cc1	2321634003	NVMCFDHSKUROJS-OAHLLOKOSA-N	246.394	4.844	0	10	BJAE	
CCc1ccccc1N[C@H](CC)c1ccccc1	21016729	TYPYCJDAIKOKRU-MRXNPFEDSA-N	239.362	4.812	0	10	BJAE	
CCC(CC)[C@@H](NC)c1ccc(CC(C)C)cc1	35459915	GIXZGZMXEZLCBE-QGZVFWFLSA-N	247.426	4.582	0	10	BJAE	
CCCC[C@H](NCCC)c1ccc(C)c(C)c1	35572766	BINBBKXMPPZSJP-INIZCTEOSA-N	233.399	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@@H]1CCCC[C@@H]1C(C)(C)C	36920847	DACHQBPENIDFSJ-LJISPDSOSA-N	239.447	4.616	0	10	BJAE	
CC(C)c1ccc(OCc2ccc(F)cc2)cc1	70268533	GWGMIURBISJJQP-UHFFFAOYSA-N	244.309	4.528	0	10	BJAE	
C[C@H]1C[C@@H]1[C@H](Cl)c1cc(Cl)ccc1Cl	71087723	ILIGLWXUAWPMQG-RASWFIQWSA-N	249.568	4.929	0	10	BJAE	
CC[C@@H]1CCC[C@H](CCC(=O)c2ccccc2)C1	80385212	LZIWDEUYPMPMGN-HUUCEWRRSA-N	244.378	4.866	0	10	BJAE	
CCC[C@H]1CCC[C@@H](Nc2ccccc2F)CC1	86922641	SNSRVKMROGZKMN-UONOGXRCSA-N	249.373	4.987	0	10	BJAE	
Cc1cc(C)c(NCC2CCC(C)CC2)c(C)c1	89576454	KGJWFZUZJDOOKO-UHFFFAOYSA-N	245.410	4.850	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]([C@H](NCC)C(C)C)CC1	92599547	BCJYSEXNRCVZCS-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(/C=C/CCNC(C)(C)C)cc1	93674037	KHRYCZZCNZEZBD-SOFGYWHQSA-N	245.410	4.601	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1ccc(F)cc1	107559467	GTKAIXSZCYPJPE-FOQNGQEVSA-N	206.304	4.676	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1cccc2ccccc12	112887173	SPBQXKDKWSNALH-CXAGYDPISA-N	242.362	4.700	0	10	BJAE	
CC[C@H]1CCC[C@@H](Oc2cc(C)ccc2C)C1	130390044	LBDVFFNFFIPWHX-LSDHHAIUSA-N	232.367	4.651	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2(CC)CCCC2)C1	166303815	AZHXYWUMBUEPQC-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C1CCCCC1	168022603	WUKPNTGQXMFOBD-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2nc3ccc(Cl)cc3[nH]2)C1	206888211	VNRMUOMIECBXBJ-NXEZZACHSA-N	248.757	4.510	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@H](C)[C@@H](C)C2)c(C)c1	220648321	PWJQBCFMLJMDGA-HEHGZKQESA-N	245.410	4.848	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CCC)CCCC	225996015	NQVUTQTUZUKRMS-LSDHHAIUSA-N	227.436	4.904	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CC2CCCCC2)C1	227381458	BTZMXTRESLTFPL-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)CC1CCCCC1	228108501	ZOJOHFYMUVRNFQ-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@H](N)c1csc2ccccc12	229155774	CIAWSOATOCHGPZ-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CC[C@@H](C)[C@@H](C)C1	229410002	KNHJGSFDJXPBCR-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NC(C)C)c1sccc1Cl	229937944	ZDUKRTOTJRFTON-NSHDSACASA-N	245.819	4.631	0	10	BJAE	
CC[C@H](C)c1ccc(OCc2ccsc2)cc1	232358459	HIUGZOOIWBDCQZ-LBPRGKRZSA-N	246.375	4.841	0	10	BJAE	
Cc1nc(-c2ccc(CC(C)C)cc2)sc1C	259462082	YSSQFRHPHYBAPR-UHFFFAOYSA-N	245.391	4.625	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@](N)(CCC2CCCCC2)C1	305898071	SSZQDWPSOMIPSM-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(C[C@H](C)CC(C)C)c1ccccc1	305908960	DTDRYSDFNXUEKA-WBVHZDCISA-N	247.426	4.713	0	10	BJAE	
CC(C)C[C@H](C)Cn1ccc2cccc(Cl)c21	305919759	HLVYHTFSXZVFMZ-LBPRGKRZSA-N	249.785	4.977	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)CCCCC3	307989877	WBTPSZBUBYXUGE-UHFFFAOYSA-N	227.351	4.560	0	10	BJAE	
CCCN[C@H](CCCCF)[C@H](CC)CC(C)C	308055112	BQZVKVLTZQMCBU-HUUCEWRRSA-N	245.426	4.567	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1ccccc1C	308110028	MTZITYCRIYFQFY-AWEZNQCLSA-N	232.367	4.640	0	10	BJAE	
CCC1(CNc2c(C)cccc2Cl)CCC1	309789303	UDFOHNWKYYERFA-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
Cc1ccc(Cl)c(O[C@@H](C)c2ccccc2)c1	310070404	DDHHZYAXKAFQBH-LBPRGKRZSA-N	246.737	4.788	0	10	BJAE	
Cc1cccc(N[C@H]2C=CCCCCC2)c1Cl	310073365	QBISKZRCJIGHRD-ZDUSSCGKSA-N	249.785	4.949	0	10	BJAE	
CCC[C@@H](CC)N[C@H](CC)c1cccc(C)c1	310216657	LRPOOCXAWXKMHX-HZPDHXFCSA-N	233.399	4.614	0	10	BJAE	
CCCC[C@@H](C[C@@H](C)C1CCCCC1)NCC	310353299	RFPDUABOMYIGCU-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)NCCCCC1CCC(C(C)C)CC1	310427467	QHSKFDHXQCVCKQ-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(=O)C[C@@H](C)C1CCCCC1	310565852	LRUSWQFWVQVVKJ-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC1(CN[C@@H]2CCCC23CCCCC3)CCC1	313121098	QYETUUHGICVRAT-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCC(CC)[C@@]1(CNC(C)(C)C)CC=CCC1	317206443	JCJHFWZCCSOJBR-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@](CNC(C)(C)C)(CC(C)C)C1	318056468	YXTGDYGHIBYAEM-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@](CNC2CC2)(C2CCCCCC2)C1	318219427	VBCJZWZHNPDWRU-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C(C)(C)C1CCC1	322599371	MKKYQUCKKMTRLM-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1CCCC12CCCC2	328186515	OTHGDGBJOXGPJY-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C2CCCCCC2)CC1	328377459	XZIWKKPQXUWTTO-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2cc(C)ccc2C)CC1	328475420	ONLJJOAVNDRXQS-SHTZXODSSA-N	244.378	4.703	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CCC[C@@H]3C[C@H]23)cc1	378904550	YJVRBTWFXMBLJT-YVVXQTMVSA-N	243.394	4.801	0	10	BJAE	
CCC(C)(C)c1csc(CC2CCCC2)n1	379099940	NPNVHRXMARSNMW-UHFFFAOYSA-N	237.412	4.563	0	10	BJAE	
CCCC(CCC)Nc1ccc(C)c(CC)c1	383127851	PJDROGSEROYJCN-UHFFFAOYSA-N	233.399	4.938	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)CCCCCC(C)C)C1	383237715	IGBPVKRJMYIJOA-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)c([C@H](O)C(C(C)C)C(C)C)cc1C	385315344	FJBCLXIJMFIHIU-KRWDZBQOSA-N	248.410	4.573	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1N[C@H](C)CCC(C)(C)C	386077200	BIHKOTQHZNCBGJ-BARDWOONSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@@H]1C[C@H]1CC(C)C	387784379	DYZCABSRGDPRIM-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1(CCC)CC1	390482796	MCTVTNDMUCWXHC-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)c1cccc(C)c1	391189069	XKNVPXZPKWEOBW-HNNXBMFYSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CCC1CC1)NCC	395486617	DBDHGYWAFFSQBS-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCc1c(S)c(C(F)F)cc2ccsc12	396259366	XVTHKLWLZMNFEI-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
COc1ccc(C(F)F)c2sc(Cl)cc12	396285228	DSMILFHZECUKEO-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1ccc(C)c2sc(C(F)(F)F)cc12	396298559	GGCFNDSFGAKJSL-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1cc(C(F)(F)F)c(S)c2sccc12	396300706	KWXWDCKNPBZWSW-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CCC1)[C@H](C)CCC	398746093	YSOVOEMIFNNXQB-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)(CCC[C@H](N)C(C)(C)C)c1ccccc1	686728132	DFOYUSUMEXHOCL-HNNXBMFYSA-N	247.426	4.508	0	10	BJAE	
CC(C)c1ccc([C@H](N)CCCC2CCC2)cc1	688402818	APECUKMBIVJBFU-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CCCN[C@H](C(C)C)[C@@H]1CCCCC[C@@H]1CC	691097861	CIGUHODVVMQBRD-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)C1=CCCCCCC1	691189864	VQLVUWNHWGSXMU-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2ccc3sccc3c2)C1	691794745	OUDUXVGCXCESFT-JQWIXIFHSA-N	244.359	4.520	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)c1cc(C)ccc1C	695096838	DGZPXWSDWMZQRV-CABCVRRESA-N	247.426	4.779	0	10	BJAE	
CCC(C)(C)CCC(=O)CC(C)(C)C1CC1	696594382	QAJNIRIJXIKBNZ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CC[C@](C)(CNC(C)C)C(C)C	696679373	SJSUTFNFJGONQK-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)CC1=CCCCC1	697771149	IFLJKJIPEKPUAQ-KRWDZBQOSA-N	249.442	4.992	0	10	BJAE	
CCCc1ccccc1OC1CCC(C)CC1	699483054	MGTSWSIEFXQZME-UHFFFAOYSA-N	232.367	4.597	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(N)CCCC[C@@H]2C2CC2)C1	704473222	KNCNYTHSBRJCNQ-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC(N)(CC(C)C)CC1CCCCC1	704908330	NAYOEUGZGXECHT-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CCCc1ccccc1	704947189	IABZXZWPMFVXFY-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
Cc1csc([C@H](N)C[C@H](C)CC(C)(C)C)c1	709092803	ZXXIEFNNTJKRJE-CMPLNLGQSA-N	239.428	4.519	0	10	BJAE	
CC[C@@](C)(CNC(C)C)C[C@H](C)CC(C)(C)C	709105755	NBVHYQDYXLVWEV-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CNC1CC1)C[C@H](C)CC(C)(C)C	709106700	OSIPOCSILBSZGT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C12CCC(CC1)C2	710849701	MRUVBYNRNDPCJX-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)C12CCC(CC1)C2	710935025	DAUHVPNXUXHBRG-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CNC[C@H](CCCC(C)(C)C)C1CCCCC1	711257630	PDRGICPVONSUTH-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cc(C)cc(Cl)c1	713180475	AURYJIRNZLVMKK-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CC[C@](O)(CC(C)(C)C(C)C)c1cccc(C)c1	713184963	WBDVEGVYBLEIGU-KRWDZBQOSA-N	248.410	4.665	0	10	BJAE	
CCC(C)(C)C[C@H](CNC(C)(C)C)C(C)(C)C	713251663	OZEXGFRWQCTULD-CYBMUJFWSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C\CCC(=O)c1ccc(C(C)C)cc1	713723353	FWSQBEMMGWLPRA-WAYWQWQTSA-N	228.335	4.515	0	10	BJAE	
C=C/C=C/CCc1cccc2ccsc12	713746704	RVAQDNDJOITFKR-ONEGZZNKSA-N	214.333	4.576	0	10	BJAE	
C=C/C=C\CC[C@H](O)c1ccc(C(C)(C)C)cc1	713762098	ZGTICHOBOBENBH-WLMCBFPDSA-N	244.378	4.540	0	10	BJAE	
CCNCC1([C@@H]2CCCC[C@H]2C)CCC=CCC1	718103996	JTGSIRJYEFNXOA-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C(C)CCn1ccc2c(F)cccc21	718557158	GVPLISJCZKTBMF-UHFFFAOYSA-N	231.314	4.527	0	10	BJAE	
CCCCCC[C@@H](C)NCCC(C)=C(C)C	718606225	SAQBAVOIVPHZDW-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CCCC12CCCC2	718739324	CUBJREOAGIHPBD-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCc1cccc(NCc2sc(C)cc2C)c1	719418890	JEUIQXLKARRFTE-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
O[C@]1(C2=CCCCCC2)CC[C@H]2CCCC[C@H]2C1	723648355	BEFKLWLHFFOLKW-HLLBOEOZSA-N	248.410	4.598	0	10	BJAE	
CCCC(CCC)N[C@H](C1CCCC1)C1CC1	723958238	FRRMCTVVNSVYHS-MRXNPFEDSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)SC[C@H]1CCCC[C@@H]1C	1652640496	DGSJYVPZPRZGBG-NWDGAFQWSA-N	214.418	4.735	0	10	BJAE	
C1=C[C@H](N2CCCC3(CCCCCC3)C2)CCC1	1657460562	UFCYAISXIQOUPT-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
C[C@H](NCCC1=CCCCC1)[C@@H]1CCC[C@@H](C)C1	1659015840	FQNUYZILBBTTMC-HLLBOEOZSA-N	249.442	4.681	0	10	BJAE	
CC(=CC1CCCCCCC1)CNCC(C)C	1883193442	MBYCNDPDRDTNOJ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
C=C=CCCCc1cccc(C2CCC2)c1	1902959809	PRMYSPJOXVKUQE-UHFFFAOYSA-N	212.336	4.618	0	10	BJAE	
C[C@H](C(=O)CCC[C@@H]1C[C@H]1C)C1CCCCC1	1908547545	TZZWZBTWBYNVSX-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)C1CC2(CCCCC2)C1	1912616952	MWSZOEQARUIEPR-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CC(C)CCC[C@H]1CCCCCCCC[C@H]1N	1913405394	SRCQEQUPSUXOPA-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@](O)(CC)Cc1ccc(C(C)C)cc1	1919474944	MQKSCSLJTWWMDZ-KRWDZBQOSA-N	248.410	4.684	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@](O)(CC(C)C)c1ccccc1	1920031314	UDNZBEHJKYUWJI-YQQAZPJKSA-N	248.410	4.603	0	10	BJAE	
CCC(CC)[C@@](C)(N)c1ccc(C(C)(C)C)cc1	1920459942	GRRKTQLXLLSKBR-QGZVFWFLSA-N	247.426	4.594	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1C[C@H]2CCC[C@H](C1)C2	1923480886	RWYCWWVVVTVWNF-LJIGWXMPSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cc(C)ccc1Cl	1925540676	WOKMSNJTELMGHN-SNVBAGLBSA-N	238.758	4.657	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@H]1CC2CCC1CC2	1925787689	YNNLAOKNKJZCFW-LMPOIIKSSA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCCC1)C1(C)CC(C)C1	1925809772	MNPLLNSVEFJQAG-YZUHTNEWSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCN[C@H](CC)c1cccc(C)c1	1926179332	WXVQLPSEURSLRT-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC[C@@H]1CCCC1(F)F	1940732006	VNPMDDWQVUWKGJ-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CN[C@H](CCC1(C)CC1)CC1(C)CCCCC1	1940790434	NJTMQABILPMUSW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CCCC2(C)CC2)CC1	1940876931	NXZLOJUZSFJNLV-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CCCC2(C)CC2)C1	1940884707	ZHNYSBPWSJYCRO-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CC1(C)CCCCC1)c1cccc(N)c1	1940969442	AFZGVBINLFMHLL-ZDUSSCGKSA-N	231.383	4.733	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@H]1CC=CCC1)C(C)C	1941270995	AKOATVVVFLTOGD-GJZGRUSLSA-N	236.399	4.620	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@]1(O)CCC1CCC1	1941470121	LSJCUBPMWFFWET-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944204193	PXMCEHGIUZSRNZ-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)C[C@@H](O)C(C)(C)C1CCCCC1	1944617961	HYUWWCXOXQLTAP-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C(C)(C)C1CCCC1	1944624224	XKVAHYJHXRANAO-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944794835	MEKYNWKOQVTFRS-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H]1CCC(C)(C)C1	1945577848	AFYMZEIIKANXMW-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@](C)(N)[C@@H]1CCC2(CCCC2)C1	1949551205	IUDFMNNGFKCGMI-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CCC[C@H]1CCC(=O)CC1CCCCC1	1949916413	KSGDLYUUCNSMJS-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](N[C@H]1C[C@@H]2CCCC[C@@H]2C1)C1CCCC1	1967721510	CNIANBZXSVWNBH-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
CSc1ccccc1NC1CC(C(C)(C)C)C1	1968322799	YLCNKNAJLXQFAD-UHFFFAOYSA-N	249.423	4.645	0	10	BJAE	
CC(C)c1cccc(NCC2[C@@H]3CCCC[C@@H]23)c1	1968408088	MUNFQXYAVPAYME-HZPDHXFCSA-N	243.394	4.658	0	10	BJAE	
CC(=O)c1ccc(C)c(-c2cc(C)sc2C)c1	1969505463	KKUVUKAYTFRFMK-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](NC2(C3CCCCC3)CC2)C1	1970595603	KMGQCIPJCFNLHX-FOLVSLTJSA-N	249.442	4.514	0	10	BJAE	
Clc1csc(-c2ccnc3ccccc23)c1	1971132481	VSUGNPUEJNBCMX-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC1C[C@@H]2CCCCC[C@H]2C1	1971304990	LVGVWMLZDPKDFV-AESZEHBQSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CCC2(CCC2)C1	1971388759	FVGRAZJSFDDIOO-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCC[C@](C)(CCC(C)=C(C)C)CNCC	1978651820	FDOCXWNNRHZQJL-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CCCCCC1CCC(C(=O)C(C)C)CC1	1980314557	LTCAUDHCUKYVNZ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CC)C1(C)CCCCCCC1	1981416420	OVQNANDIJAFPOK-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
C/C=C/CCC[C@@](C)(CC)CNC(C)(C)C	1984630903	WXYOKGKAZARVBJ-LOWQCSRCSA-N	225.420	4.537	0	10	BJAE	
CCC(C)(C)CC(=O)C1(C(C)(C)C)CCC1	1989451843	PVYZOKOBKZUKQQ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1C[C@@H]1CCC	1993000254	RTXKDLZFIYPXAN-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC1=CCCC1	1995202385	FIGKEWGXNGLPQE-CYBMUJFWSA-N	222.372	4.662	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1ccc(C)s1	1995254556	TXWKCLRMRMYSPV-DGCLKSJQSA-N	240.412	4.696	0	10	BJAE	
CC(C)(C)CCC[C@](C)(N)C1(C)CCCCC1	1995985212	HNEPKNYYCGPYLJ-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)c1csc([C@]2(C)CC=CCC2)n1	1997604468	NWFTWCBHZAWPKC-OAHLLOKOSA-N	249.423	4.829	0	10	BJAE	
CC(C)C[C@H]1CC[C@@]1(O)CC1(C)CCCCC1	1998741882	BQMWTCKGDZNRBE-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(C1CCC1)[C@@H]1CCCC(C)(C)C1	2000064354	ZIRPGWNSWPWLGM-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CCCC1CC1)NC	2000334444	FFSXJBPBESFGAH-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNCC(C)C)C[C@@H](C)CC	2000522037	AGVNIGIRPLBBOR-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H]1CCCC(C)(C)C1	2002972236	QNIDNGCQCCIASQ-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](CCCCNC(C)(C)C)C1	2002992741	FJCOPRUVFONVGN-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC)CCCC(C)(C)C1	2002993406	KPWJQHIBSFWZPF-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@]1(C)C=CCCC1	2003321222	MZBGNXNATMSXCG-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H](C)C1(C)CCC1	2004840012	MBHGFGGHOOOZNT-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1CC(C(C)C)C1	2007765540	KCWLUDADVSGJOO-SHARSMKWSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](C=C1CCCC1)c1csc(C)c1C	2007942104	HYMUCDYIRZDCQU-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CCC1(CC)CC(NCC(C)(C)C(C)(C)C)C1	2009300448	XEYOEKJLDGDZDU-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C(CC)(CC)CC	2009536727	UBXOBBYDRRUGIU-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCCC(=O)c1ccccc1CCC	2009574200	AVJLPDCDSHOWPA-HWKANZROSA-N	230.351	4.568	0	10	BJAE	
C/C=C/CCC[C@H]1CCCCC[C@@H]1CNCC	2009610319	FZHGUHXOYBXHRD-KADIJHKTSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@H](CC[C@@H]1CC1(C)C)NCC	2009616235	HCMZMBSRPVSVAM-IPKOWEFYSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](C[C@]12CCC[C@@H]1C2)NCC	2011019344	KLDJPAFXZOUOJO-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC2CCC(C)(C)CC2)N1	2013522998	ZALJDBZASPNOFT-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@H](C(C)C)N1	2013525838	KTWRILWOMFRHKZ-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)[C@H](C)NC1CC(CC(C)(C)C)C1	2014658717	UKXUJUHKWNQLHM-OPFPJEHXSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CC(C(C)C)C(C)C	2015272997	DZIIBKMACQCMGL-GDBMZVCRSA-N	241.463	4.704	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(CCC(C(C)C)C(C)C)C1	2015346250	CIQCUQKAPOWHAF-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC(C(C)C)C(C)C	2015393850	IEZNHJCDSKNIEY-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@@](CC)(C[C@@H](C)C(C)C)C(C)C	2015403088	YQIWZNWGCXBHRC-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC[C@H](CC)C2)CCC1	2015642943	WHMMEYHPZXUTQG-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@](N)(CCC)C(C)(C)C)CCC1	2015643805	GQTJANZYJZOIGK-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C(C)(C)CCF	2016760358	VVRRKYVYPPQACF-AWEZNQCLSA-N	245.426	4.567	0	10	BJAE	
CCC1CCC(C[C@@](C)(O)C2CCCC2)CC1	2017648063	KASVFJVTFNJKSI-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@]2(O)CCCC(C)(C)CC2)CC1	2018971543	AEOFOFRGFKQUNO-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCN(C)C1CCCCCCCC1	2019298929	DIHZCYBPCKZPPO-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCC1(C)CCC(N(C)CCCC(C)C)CC1	2019299496	JXILHOQWCVHGQY-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@](O)(CCC1=CCCCC1)C(C)(C)C	2019768287	NCSNAZPUJMOHOM-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@H](C)C1CCC1	2019848797	GTEWCDBIVWDHKN-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C[C@@]1(C(F)(F)F)C[C@@H]1CC1CC(=C2CCC2)C1	2021958234	REEKWMLHGROZII-QWHCGFSZSA-N	244.300	4.856	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1C[C@@H]1CCC	2022381594	FFHQZPGLZAPGQG-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H]1CC(C)(C)C[C@@H]1NCCC	2023611726	LDIVXJFLUXSAHY-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@@H]1CCCC(C)(C)C1	2024094853	NCGWRHYDAGLUTG-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC(C(=O)C[C@@H]2CCCC(C)(C)C2)C1	2024100317	BNYAFIVAIXQLPW-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H]1CCCNC12CCCCC2	2024621685	AQBVLLAXIZDXJE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)cc([C@H](C)NCCCC2(C)CC2)c1	2027807493	GWNYPWUVSNKJLS-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CC[C@H](C)[C@@]1(C)Nc2cc(C(C)(C)C)ccc2O1	2027876391	WTBZPLGNHGLZDP-ZBEGNZNMSA-N	247.382	4.551	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(N)CCC3(CCC3)CC2)C1	2032251042	IOAJCHBRHSLXMG-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@H]1CNc1ccc(C2(C)CC2)cc1	2032508267	CDFXIEHRERVXAU-KBPBESRZSA-N	243.394	4.586	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)c1c(C)coc1C	2035535821	YVBUDBJJVQMGLD-OAHLLOKOSA-N	249.398	4.684	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)C[C@H]1C=CCC1	2035587493	DSJSJNXPGQLRKK-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CC12CCCC2	2036102453	ZRFPCVKWUXWTCB-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)CC1CCC=CCC1	2037207590	BQCVUPYDXPVXII-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)[C@H]1CCC2(CCCC2)C1	2037591372	DCNFOLKXCVMLEE-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCCC2CC3(CCC3)C2)CC1	2038103653	QGFQBPWSLBKLEO-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](N)C1CC2(C1)CC1(CCC1)C2	2039462338	RFZNLBZJCHUPBY-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CN[C@]1(C)CCCC1(C)C	2041728249	HXXVKSCAYHMXGE-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@]1(C)CCCC1(C)C)[C@@]12CCCC[C@H]1C2	2041729776	SZDUSYYIQYLLQW-DIECFANBSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H]([C@@H]1CC=CCC1)[C@@H]1CCC(C)(C)C1	2042025578	WKBBTHXYYJDNOY-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1CCC2(CCC2)C1	2043605921	FRCALSFJJUTFGZ-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
N[C@@]1(C[C@@H]2CCC=CCCC2)CCC12CCCC2	2045306738	BUDSHIWZXHPWMO-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CCCCCC1	2045597225	XJFXWPYRAQBVAF-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@H](NC)[C@@H](c1ccccc1)C(C)C	2045742243	YRWGJHOOJNNHSE-IAGOWNOFSA-N	247.426	4.595	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C2(CF)CCC2)cc1	2047703692	QMMLGTLUNHSEJY-LBPRGKRZSA-N	248.341	4.523	0	10	BJAE	
CC[C@](N)(CC1[C@@H]2CCCCC[C@@H]12)C1CCCC1	2048445515	BEADXRFKMVLYNM-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1CC(CC)C1)[C@@]1(C)CC=CCC1	2048589973	KGBDJNBISSKLLC-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1CCC2(CC1)CC2)C1CCC1	2049855585	MHBSMVQNUWVREW-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2C3CCCC2CCC3)C1	2050044263	YNJIZDCQVVCCQO-MOINJDMASA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC1=CCCC1)c1cccc(C)c1	2050465077	QIIIJXIAQHUQLU-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CC1CCC=CCC1	2056451053	NKLZCSRQIONHDO-JKSUJKDBSA-N	248.410	4.764	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H](C)c2ccccc2)C1	2056667111	AIGQIBRVHGMEAG-WLYUNCDWSA-N	244.378	4.576	0	10	BJAE	
O=C(CCC1CCCCC1)CC1CC(C2CC2)C1	2056668685	YUFCHHHHQPPTEG-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@@H]1CCC[C@H](C)CC1	2056873152	KTBZUESXFGMXIY-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCc1ccc(Oc2ccccc2)cc1	2057431434	LHTKUDWLVALOQS-UHFFFAOYSA-N	238.330	4.988	0	10	BJAE	
CC1(CC[C@]2(N)CCCC3(CCCCC3)C2)CC1	2059183787	NJSVGISZVMSXOP-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2059254634	AMIXFCWDWBUWBI-YVYQEZPWSA-N	249.442	4.667	0	10	BJAE	
CCCCCC1CC(NCCC2=CCCCC2)C1	2059390198	LIXLUPRLRJIULC-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H]2CCC[C@@H](C)CC2)CC1	2061079774	BXZTZUJVLHYLDL-KCYZZUKISA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@H](NC)C2(CC)CCCC2)CC1	2061149208	BALRUCQSHJXWTA-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
c1cc(C2CC2)ccc1NCC[C@]12CCC[C@H]1C2	2061573129	VUQVMBOCVZWXBS-RDJZCZTQSA-N	241.378	4.556	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2CC(=C3CC3)C2)CC1	2061695310	BIYLHTLMVLVLLA-SWLSCSKDSA-N	246.394	4.662	0	10	BJAE	
CCCCCC(C)(C)CNCC1CC(=C2CC2)C1	2061718510	MHUQCPNNBHMYIH-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063524942	QADHFLSMZXXPQM-QKDCVEJESA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC23CCC(CC2)CC3)CC1	2065263383	XWLOAPOQNINCKF-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)[C@H]1CCC1(C)C	2068246177	SONCGQQGCLWUAQ-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
COc1ccc(C)c(N[C@@H](C)CCC=C(C)C)c1	2070400728	XUQSGTOLTMEBJV-AWEZNQCLSA-N	247.382	4.550	0	10	BJAE	
CC(C)(C)[C@@H]1CCCN1[C@H]1CCC2(CCCC2)C1	2071963224	UDMWMMQHMKIHNK-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2072094387	YZWFUWJEMGNRMV-SLBVQIDZSA-N	249.442	4.523	0	10	BJAE	
CC(C)=C(C)CN1CCC[C@H]1C1CCCCCC1	2072412008	XAMILQVHYGMQIM-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1cc(C)cc(C)c1	2072419723	ZWACZUYVZNPHSH-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)C[C@H]1CC[C@H](C)CC1	2074784417	IIGZDQNSZDAEQM-JYJNAYRXSA-N	245.410	4.506	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)[C@H]1C=CCCCC1	2075364781	IYIXVNZFDZOTBQ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1[C@H](C2=CC[C@H](C)CC2)CCCC1(C)C	2076401357	KMBDHVXOSBEFJI-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1C[C@H]1C1CCC1	2079303689	PNZKZIKEIOQLRX-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2C[C@@H]2C2CCCC2)CC1	2079492219	PDKAMYUERDBVKI-GMEATFMZSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@H]1C[C@@H]1C(C)C	2079855707	ZRENYZYJZPFXRR-CZUORRHYSA-N	244.378	4.675	0	10	BJAE	
CCCCC1CCC([C@H](C=C2CCC2)NC)CC1	2080254308	BYZFJZJHKGQDNB-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C=C1CCC1)[C@@H]1CCC[C@@H](CC)CC1	2080259498	JKBLHIDRTZWFEB-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC=C(C)C)CC1CC2(C1)CC(C)(C)C2	2081782811	SUWLZKMIZBYEDT-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
C=C=CC[C@@H](C[C@@H]1CCCC(C)(C)C1)NCCC	2082974602	AUVIHHYNZNTCAF-HOTGVXAUSA-N	249.442	4.692	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C2CC=CC2)CC(C)(C)C1	2082991392	PVMMFQNYENQHLO-OAHLLOKOSA-N	249.442	4.523	0	10	BJAE	
C[C@H](C[C@@H]1CC(C)(C)CCC1=O)c1ccccc1	2083037861	DDOFAPRFXMSMMY-UKRRQHHQSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2CCC=CCCC2)C1	2083041440	NWYNNLQWAHEGBL-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC1C2(CCC2)C12CCC2	2083571930	RRQJENLNODKEBR-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(-c2cccc3ccccc23)c(C)cc1N	2138950124	VUNBFWXBQWMKPH-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CC(C)Cc1ccc(-c2cc(Cl)ccn2)cc1	2213524218	ZYNMXBDHSOZXKC-UHFFFAOYSA-N	245.753	4.601	0	10	BJAE	
CC[C@@](N)(CCCCCCC1CC1)CC1CC1	2213576638	SHOYNIZZFCOOSH-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC1CCC(C)(C(=O)CCCCC2CC2)CC1	2214556950	GQZXSBGHSWXMQY-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC1([C@@H](CCCCC2CC2)NC)CCCC1	2214573365	MBDXQTIJAJYZMF-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C[C@H]1CC[C@H]1C	2214978518	GWDVAEMOBMJJDT-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](NCCCCCCCC1CC1)C(C)C	2216869657	ISKIDILVPNMOBE-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(=O)[C@H](CCCCCCCC1CC1)C(C)C	2216880101	QPBSIENIXUGOPP-MRXNPFEDSA-N	238.415	4.988	0	10	BJAE	
O=C1CCCCC[C@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218327919	OKMBEALBXLWXKT-JJXSEGSLSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(F)cc1NCCCCCCC1CC1	2218719012	UIUDXAPBCRJJTR-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
NC1(CCC2CCCCC2)CCC(C2CC2)CC1	2218897439	WFXNIVTVFLFRMS-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1C[C@@H]1CCN1CCCCC12CCCCC2	2220991262	KYTGQGXREBTOCF-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](C1CC(C)C1)[C@]1(C)CC=C(C)CC1	2221613496	DJZUFQCTJJKDDD-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@@]1(C)CC=C(C)CC1	2221634183	XWHVTVBEOOAPPS-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(C2CC3(CCC3)C2)C1	2222262904	WLIPUWUIEIISKV-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@]1(N)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222979153	DQRWWLRXQNDFAT-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CCCC1(C)CC1)N2	2224123079	AINRNJPNCLEOHL-HNNXBMFYSA-N	243.394	4.692	0	10	BJAE	
CCCCc1ccc([C@@H](O)C(C)(C)CC)s1	2242605209	RTEXKWXEPHDWCI-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)CC1=CCCCC1	2247528824	BTUHHVONNFIQOJ-AWEZNQCLSA-N	237.431	4.681	0	10	BJAE	
C[C@H](CC(C)(C)C)NCCCCC[C@@H]1C[C@H]1C	2248858114	PHEFKBQLKUVTHU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC(=O)[C@H]1CCCCC[C@H]1C[C@H]1C	2248876247	BHGMUUIZDHIOSJ-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C(F)F)[C@@H](C)CC	2250115836	WIOKILDUPAXYHL-XQQFMLRXSA-N	249.389	4.615	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C[C@@H]1CCCCC12CC2	2253832774	OBDVLALZYVJREP-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
Cc1cccc2c1N[C@@H]([C@H]1CCC(C)(C)C1)CC2	2253866271	DFMXSTAATLNAPN-LSDHHAIUSA-N	243.394	4.548	0	10	BJAE	
CCC[C@@]1(CC[C@H]2CCCCC23CC3)CCCN1	2253879921	HESZFWYZIVYKFJ-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CCc1ccc(OCC2CC3(CCCC3)C2)cc1	2254081216	YNDWLTUFMPXMQO-UHFFFAOYSA-N	244.378	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNC1CCC2(CCC2)CC1	2254504579	JJCINOKYMFKIQK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](O)CCCCC[C@H]2C[C@H]2C)cc1	2254544577	QCRNGFSIHUPPSH-HYVNUMGLSA-N	246.394	4.635	0	10	BJAE	
CCc1ccc(C(=O)CCCC[C@H]2C[C@@H]2C)cc1	2254606536	GACKWSMSCHEAMB-BBRMVZONSA-N	244.378	4.648	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C[C@H]1CCCC12CC2	2255226594	WFXBJGMVEQQPAP-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCCC12CC2)C(C)=C(C)C	2255245975	LEWWUJHDTSZYCV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
N[C@@]1(CC[C@@H]2CCCC23CC3)CCC=CCCC1	2255263508	IHSABABDCNOBDT-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccc(C2CCC2)cc1	2259447377	MLNNJIVCNVPOQY-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CC(=O)c1cccn1CC[C@H](C)CCCC(C)C	2259677231	BEIYWWBGXOOKPM-CQSZACIVSA-N	249.398	4.543	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC(C)C)CCC[C@H]1C	2300860394	HAPZJRORHDDTET-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@@H](O)[C@H](C)C(C)C)CCCC(C)C	2300870438	URFKTEIDSUUEJP-HZPDHXFCSA-N	240.431	4.802	0	10	BJAE	
CCC(CC)[C@H](N)CC=C(C)CCCC(C)C	2300875603	XHAXFQIOFHNVDA-MRXNPFEDSA-N	239.447	4.913	0	10	BJAE	
CC(=CC[C@@H](N)[C@]1(C)C[C@@H]1C)CCCC(C)C	2300876218	DGHYOYTWYYAFAO-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
CC(=CC[C@@H](N)C[C@@H]1C[C@H]1C)CCCC(C)C	2300909542	PDFVWPWXVBHPEJ-OWCLPIDISA-N	237.431	4.523	0	10	BJAE	
CC[C@H](C)[C@H](N)CCC=C(C)CCCC(C)C	2300917034	VDZJMFLGJQLMMI-JKSUJKDBSA-N	239.447	4.913	0	10	BJAE	
NC[C@@H]1CCCCC[C@H]1CC1CCCCCC1	2301184493	ASHQGSHFKQZSOG-HOTGVXAUSA-N	237.431	4.502	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H](C)[C@@H](C)C(C)C)c1	2301831121	BPUGNRUWAGOQNU-KBPBESRZSA-N	229.367	4.803	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)CCCC1=CCCCC1	2302362062	UWMCHZZJZCFMQB-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1CC[C@@H]1C(C)(C)C	2303443147	ATXSAJCHUVRGGK-IHRRRGAJSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)CCC1CCC1	2303476456	RTSMQBDSQHLRKD-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@H]1CCC(C)=C(C)C1	2303582877	KKRGJFQJYBCBRF-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(C)CCCCCN2)C1	2304411063	NNQCGEMMQHJXCG-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)CN1CCC(CC)(CC)CC1	2307760948	NHUXZKUFMMNBLA-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)C1(C)CCCCC1	2307816507	GAOPHLJGJOITNO-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)[C@@H]2CCC[C@H]2C(C)C)CC1	2310348777	OSLIHKZCOFKZHR-LLLHUVSDSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H](C(=O)CCC[C@@H]1C[C@@H]1C)c1ccccc1	2310441017	DZVAAJMNDWTSQL-NUEKZKHPSA-N	244.378	4.576	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@@]12CCCC[C@@H]1C2	2311148995	FOZSXSHWGURIOJ-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2C[C@H]2C2CCC2)C1	2312670245	MKVRMXICENXAJA-BFJAYTPKSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@@](C)(O)c1ccc(C)c(CC)c1	2314644145	RMHLBRXSJJAMMN-QGZVFWFLSA-N	248.410	4.735	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)c1ccc(C)c(CC)c1	2314697624	QLBWPOIAIACFCC-DYVFJYSZSA-N	247.426	4.644	0	10	BJAE	
CCC[C@@](O)(CCC(CC)CC)c1ccccc1	2316236637	XCDBSXQSHGZMAJ-QGZVFWFLSA-N	248.410	4.891	0	10	BJAE	
CC(=CC[C@@H](N)[C@H]1C[C@@H]2C[C@@H]2C1)CCCC(C)C	2316502085	IVIAIVGWGJLMQH-YYIAUSFCSA-N	249.442	4.523	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1CC[C@@H]1C1CC1	2319580936	KWPSEXBIRFGBAW-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1CC	2320399629	XXXCPCRMPPRBEN-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1=CCCCC1)c1cccc(C(C)C)c1	2320525717	QIIBJLSKXWRTOO-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@]2(C)CC2(C)C)c1	2327679756	AQJRAHDCRRIZRY-WBVHZDCISA-N	245.410	4.554	0	10	BJAE	
Cc1ccc2[nH]c(-c3ccc(C)s3)cc2c1	1519625	NXQLCOMKEHFSNM-UHFFFAOYSA-N	227.332	4.513	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(C)c(F)c1	20006820	VXHXWZPYKSRQIG-GFCCVEGCSA-N	223.335	4.515	0	10	BJAE	
CCC(=O)c1ccc(C(C)C)cc1C(C)C	21012804	VQLCOGIKEYEQIZ-UHFFFAOYSA-N	218.340	4.526	0	10	BJAE	
Cc1ccc(NC2CCCCCC2)cc1Cl	21013160	HGMWTQQKXOWFMK-UHFFFAOYSA-N	237.774	4.783	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccccc1C	21505646	FBVJEYICUOFDDG-OCCSQVGLSA-N	219.372	4.622	0	10	BJAE	
CCCCCCN[C@H](C)c1ccc(Cl)cc1	21814130	CKNBFGGGZMFJBE-GFCCVEGCSA-N	239.790	4.571	0	10	BJAE	
CC(C)c1ccc([C@@H]2C[C@@H]2c2ccco2)cc1	32222419	DFAGZULMEQUZCH-GJZGRUSLSA-N	226.319	4.674	0	10	BJAE	
c1cc2cc(NC(C3CC3)C3CC3)ccc2s1	36976225	PSIMRWADFWCFFS-UHFFFAOYSA-N	243.375	4.502	0	10	BJAE	
CCC[C@@H](C)CN[C@H](CCC)c1ccccc1	37062368	NDJYDFAZQUEDDK-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
C[C@@H](Nc1ccccc1Cl)C1CCCCC1	37210795	NKQFADVGYOVYDR-LLVKDONJSA-N	237.774	4.721	0	10	BJAE	
CC[C@H]1CCC[C@](N)(c2ccc(C(C)C)cc2)C1	71109704	ZVVQHGIXKKCJKA-WMLDXEAASA-N	245.410	4.564	0	10	BJAE	
CC(C)c1cc(Cl)nc2cc(Cl)ccc12	77255221	RDQSBRGRBNMABF-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cccc3c2CCCC3)C1	80426103	FAROOZKDOWDEFB-HIFRSBDPSA-N	243.394	4.556	0	10	BJAE	
CCCCCC[C@H](O)C1CCC(CC)CC1	82849002	WMXPOCYJCXXISQ-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CC(Oc2cccc(Cl)c2)C[C@H](C)C1	85150665	AIZJBQDJPQBEMX-BVUQATHDSA-N	238.758	4.544	0	10	BJAE	
CCCC[C@@H](CC)CSc1cccc(N)c1	85927830	RZKGGRGSDNGKSU-GFCCVEGCSA-N	237.412	4.577	0	10	BJAE	
CC[C@H]1CCC[C@H](Oc2cc(C)cc(C)c2)C1	87439750	APHMPHSSXUFTLK-GJZGRUSLSA-N	232.367	4.651	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2cc(C)ccc2F)C1	87984535	MLYZPBLKZNFFKV-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
C[C@H]1CCC[C@H](CNC2CCCCCCC2)C1	89586744	SFPBBLWCJOXVBT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(F)cc(NCC2CCCCCC2)c1	91510714	BMEOHKNJZLJAPV-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
Cc1cccc2c1-c1cccc3cccc-2c13	96328314	NJJWFOFOQXHASJ-UHFFFAOYSA-N	216.283	4.796	0	10	BJAE	
C/C=C\C[C@@H](CC)c1cc(C)ccc1C	107531740	IIIJEMBXODCDGU-BRLPQQTGSA-N	202.341	4.763	0	10	BJAE	
CC(C)(C)C1CCC(NC[C@H]2CC=CCC2)CC1	109943415	RMMSMEDMRQEXEI-FHERZECASA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H](C)C1)C1CCCCC1	109953204	IIGWWXHXTGGNDD-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C(=O)C2CCC(C(C)(C)C)CC2)o1	110174343	IJAFRWJOYOSSGU-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)(C)C)C1=CCCCC1	110228494	KCHJKKVBIKYPGU-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)c1nc2c(C)cc(C)cc2[nH]1	122321551	NOYMNSBYCDPWJN-ZDUSSCGKSA-N	244.382	4.864	0	10	BJAE	
C[C@H]1CC[C@H](NCCC(C)(C)C)c2ccccc21	123937169	LWEIBZZSNCUFBH-BBRMVZONSA-N	245.410	4.651	0	10	BJAE	
CCCCC[C@H](CC1CCCC1)NCCC	125397164	BIMZRJZFHIAFDO-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Oc1cc(C)ccc1C	130382755	UTPIOPNTFWNSOG-CABCVRRESA-N	232.367	4.651	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@@H](C)CCC(C)C)c1	132433603	ALZBDKGLWVHMKM-HOTGVXAUSA-N	247.426	4.779	0	10	BJAE	
CCCCCCC[C@H](C(=O)O)C1CCCCC1	149482172	UDCIXXPNPRLQKM-AWEZNQCLSA-N	240.387	4.628	0	10	BJAE	
C[C@H]1CCCC[C@H]1N[C@H](C)C1CCCCCC1	150048497	SBXWLWMHFAUQGT-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccccc1C(C)(C)C	157336899	ULBQDFLCDLNDBM-MRXNPFEDSA-N	248.410	4.844	0	10	BJAE	
CCCCC1CCC([C@H](NC)c2ccoc2)CC1	164968689	XIAUVBMNXACIRK-XUJLQICISA-N	249.398	4.537	0	10	BJAE	
Cc1ccc(O[C@@H]2CC[C@@H](C)[C@@H](C)C2)c(C)c1	222541321	DYHRJOIXEKQOKO-VNHYZAJKSA-N	232.367	4.507	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CC[C@@H](CC)C1	227196337	YOYCWGAJPNKEAT-KFWWJZLASA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(Cl)cc1C	232946230	PDXSVPJXMWVACT-AWEZNQCLSA-N	239.790	4.619	0	10	BJAE	
Clc1ccc(Cl)c(N[C@@H]2C=CCCC2)c1	236057334	YSZVBDMZAJNJQP-SNVBAGLBSA-N	242.149	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1C	251155948	NHHBADNNBVKPCM-ATCWAGBWSA-N	231.383	4.540	0	10	BJAE	
Cc1cccc2cc([C@H](O)CCC(C)(C)C)oc12	302264927	FYXWIYBETKREJH-CYBMUJFWSA-N	246.350	4.601	0	10	BJAE	
CCc1cccc(O[C@H]2/C=C/CCCCC2)c1	302489096	RVQPSOGICILJHF-WGPYJDKQSA-N	230.351	4.517	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1)[C@H](C)CC(C)C	302545894	JAXKPEPMZWUTOK-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1C[C@@H]1c1ccccc1	305946063	SPULXSZPLJQUDS-CABCVRRESA-N	244.378	4.576	0	10	BJAE	
Cc1ccc(Cl)c2cc(C(F)F)sc12	307307562	MIZZFJHOSHJJRA-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
O=C(CC1CCCCC1)c1csc(Cl)c1	307363205	HLBXVUNPKUHLOP-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
Clc1ccc2c(Cl)csc2c1Cl	307558922	NFHASAKLPSDBON-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
C=COCC[C@H](C)C[C@@H](C)C[C@H](C)CC	308705110	YQTARMKFXPVMHM-RDBSUJKOSA-N	212.377	4.635	0	10	BJAE	
CCCC[C@H](CCC)NCC1(C)CCCC1	309439343	ZDUUFWZPDXVJRT-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC1(C)CCC(C[C@@]2(O)CCCC2(C)C)CC1	310419649	NWBNRHLBOMWERX-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1CCC(CNCCC2=CCCC2)CC1	310715507	FORFQZDPTGKYFV-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc([C@H](O)C[C@H]2CCC[C@@H](C)C2)c(C)c1	310731704	DYMGLBIVKYJEAR-ISTRZQFTSA-N	246.394	4.553	0	10	BJAE	
C[C@@H](C[C@H]1Cc2ccccc2N1)C1CCCCC1	311196886	GBSIEEDWNAWKMQ-BBRMVZONSA-N	243.394	4.630	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC)CCC[C@H](CC)C1	316905640	PMEAXKMUQVCQKB-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCNCC1([C@@H](C)CCC)CCC(C)CC1	317348596	MNZDCDFNMYJLRG-PCKAHOCUSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@]1([C@H](C)CCC)CCCC[C@@H]1C	317403845	BCHFXGSYIYJUOB-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)C[C@]1(CNC(C)C)CC=CCC1	317648192	ZZZJZIQOTAVXNR-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCNCC1([C@@H](C)CC)CCCCCCC1	317730436	LDIFBKXLGYCOCM-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)C1(CNC(C)C)CCCCCCC1	317982734	VLPXHBYUVMQFPN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1scc(C)c1Cl	320130370	ZFQADZKSMDLEBN-IONNQARKSA-N	244.787	4.575	0	10	BJAE	
CCC[C@H](C)[C@@H](CC/C=C/c1ccccc1)NC	324339678	XTGOQJBXHOSFDU-IEVHZMJVSA-N	245.410	4.504	0	10	BJAE	
CCCNCC/C=C/C[C@H](C)C1CCCCC1	380062153	YJLQYWBNHUCZOS-NFAHFFEMSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(CCC(=O)CCCC(C)(C)C)cc1	380568450	AJBFGPVZGKIZMK-UHFFFAOYSA-N	246.394	4.713	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H]1CCCCC1(F)F	382164469	PIIYNNXGOVVNAV-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCCCC1(C)C	383255135	WXRVVFZNOQEXLE-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
C[C@H](C/C=C\CCNC(C)(C)C)c1ccccc1	384850036	FOYVFCHWFSOHPS-IDTUSYRASA-N	245.410	4.515	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)c1ccccc1C	384893028	YWXVPPLNUDDWFZ-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
C[C@H](C[C@@H](N)CCC1=CCCCC1)C(C)(C)C	385657758	FXJJBLKRZCMKON-HIFRSBDPSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1C=CCCCCC1	391163477	CLOMYWOOSMRXII-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC2CCCCCC2)C1	394553032	GREZMOIWECAEKN-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1([C@@H](O)C2=CCCCCC2)CCCCCC1	394598920	LUYPHVGWBBAYNQ-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C(=O)CCC1=CCCCC1)C(C)C	395397881	WSVHYMDIYMYASR-UHFFFAOYSA-N	236.399	4.764	0	10	BJAE	
CCc1ccc2scc(F)c2c1C(F)F	396235488	HPFPSSOIUVBEKY-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CSc1ccc2c(F)csc2c1C(F)F	396246857	OSHOAYGEWWROGT-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1cc(C(F)(F)F)c2c(F)csc2c1	396306189	XGNOXMBYMZLSIY-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H](C)C(C)(C)C	399151965	GJEUEXSEUCKNKJ-UONOGXRCSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@H](C)C(C)(C)C	399314707	NMNCUFSOYUUDJJ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCCC1CC1)NCCC	405771389	ZYVXOTYTTRPNPR-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC1([C@H](O)c2ccc3sccc3c2)CCC1	686924744	OIVIDRIIPPSTCQ-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CCCCC[C@H](CCCC1CCC1)NCC	688402872	CNQVLHSABYMSST-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@H](C[C@H](CC)CC(F)F)NC	688899136	NJHSVGGJWWJJOP-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C1CCCCC1	697759772	UJHFYFHPTYKXFT-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C1=C[C@@H](N[C@@H]2CCC23CCCCC3)CCCCC1	703416525	BZOBJARMOOHUAQ-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](O)(CC2CCC2)CC1	703859899	UYBMURCITOIPPG-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCC(N)(CCC)c1ccccc1C(C)C	704827239	YBQNNVJNWRKEBI-UHFFFAOYSA-N	233.399	4.564	0	10	BJAE	
CC(C)c1ccccc1[C@@]1(N)CCCCC[C@@H]1C	704937157	CFACWVKRONBEDF-WMLDXEAASA-N	245.410	4.564	0	10	BJAE	
CC[C@@H](C[C@@H](N)c1ccsc1C)C(C)(C)C	711107380	TVYJBLIVIKARNZ-WCQYABFASA-N	239.428	4.519	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CC[C@H]3CCCC[C@H]3N2)C1	712298679	HIOMQOFRUGDPBJ-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)Cc1ccc2c(c1)CC[C@@H](C)N2	713142105	VQKPQTLSKHMQJO-CYBMUJFWSA-N	245.410	4.658	0	10	BJAE	
CCC(CC)(CNC1CC1)CC(C)(C)C(C)C	713211441	KBBLZVFENBBFKF-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)c1cc2ccccc2s1	713331488	MYPSJNYRVRILLX-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714304521	PTAZUNMRBQCEQB-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(N[C@@H]2CC[C@H]3CCCC[C@H]32)CC1	714313777	CPSRHDWLCYIBLQ-FVQBIDKESA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C(C1CCC1)C1CCC1	718531988	YLMNUQUNWZNQIF-MRXNPFEDSA-N	249.442	4.667	0	10	BJAE	
CCCC(CCC)[C@H](CCCC(C)(F)F)NC	718723961	WNDXFUNSWZDCQZ-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCC[C@](O)(CCC(C)=C(C)C)C(C)(C)C	718753123	HPUOSQFEECIAHF-HNNXBMFYSA-N	226.404	4.700	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H](C1CCCC1)C1CC1	723996503	VZQMVSPCZSHHGB-GUYCJALGSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@H](CCCC)O[C@@H]1CCCCO1	888084901	LVTOCUCQTUTNHU-HUUCEWRRSA-N	242.403	4.669	0	10	BJAE	
Cc1ccc(S[C@H]2CCC[C@@H](C)C2)c(C)c1	1164595736	GNACTNVHNJVLMH-RISCZKNCSA-N	234.408	4.974	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@@H](C)c1ccccc1	1181891546	BWXUCOBTDMFCBA-HZPDHXFCSA-N	245.410	4.515	0	10	BJAE	
C1CCC(CCSC[C@@H]2CC[C@@H]3C[C@H]3C2)C1	1189831356	HKQHNDSXFRTDLM-RBSFLKMASA-N	238.440	4.736	0	10	BJAE	
Cc1ccc(SCc2ccc(F)cc2)c(C)c1	1656064286	AYMWKRIHBZDEAD-UHFFFAOYSA-N	246.350	4.735	0	10	BJAE	
CCC(C)=CCn1ccc2cccc(Cl)c21	1900861136	AESLKNZBPMILBV-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
Cc1ccc(C(C)C)c(C[C@H]2C=CCC2)c1	1905150937	OTDMFNJECWMBAM-AWEZNQCLSA-N	214.352	4.627	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@@H]1CCCCC1(C)C	1908544724	IWQOHSZUYOADRY-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC(=O)c2ccsc2Cl)CCC1	1909314670	MTIHBHPQOWTQLA-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
OC1(CCC=Cc2ccccc2)CCCCCC1	1911899586	JJRMPLXLYJJRGJ-UHFFFAOYSA-N	244.378	4.565	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C(=O)C[C@H](C)C[C@@H]1C	1916086693	PLRYVUOSNCKWFN-QPSCCSFWSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1C(=O)C[C@H]2CC[C@H]1C2	1916090530	MREVVAKTMOHUFK-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
N[C@]1(CCC2CCCCC2)CCC2(CCCC2)C1	1916435891	GKKTWJVHIQOACH-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H]1CCC2(CCCC2)C1	1916438175	NXFDCCHEBQOVCO-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCC1CC([C@@H](NC)c2cccc(C(C)C)c2)C1	1921320252	MMSQODJSLBCHPZ-IMRCBTMISA-N	245.410	4.507	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2CCCC23CCC3)CCCCC1	1921579184	QQIPFXPOBOFPAY-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@@H]1CCCC12CCC2	1921586929	RLQRAKVABUUCTG-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
NC[C@@H]1CCCC2(CCC2)[C@@H]1CCC1CCCC1	1924834146	AWRIBXIDJLDUND-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1C=CCCCC1)C(C)(C)C	1925765705	UTQUHTXPTCPXSD-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
C1=C[C@H](Cc2ccc(OC3CC3)cc2)CCCC1	1925830426	PXUVGTZHUWHWSH-AWEZNQCLSA-N	242.362	4.517	0	10	BJAE	
COc1cccc(CC[C@H]2C=CCCCC2)c1F	1925842331	ADMIICRQWHRQGT-ZDUSSCGKSA-N	248.341	4.513	0	10	BJAE	
Fc1ccc2oc(C[C@H]3C=CCCCC3)cc2c1	1925844490	VMTCRRAIAVLMDP-LBPRGKRZSA-N	244.309	4.861	0	10	BJAE	
O[C@@H](CCC[C@H]1C=CCCCC1)c1ccccc1	1925929220	DEJDNLUOVZSUPJ-RDJZCZTQSA-N	244.378	4.637	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1C=CCCCC1	1926201706	XBLYFFRUYUJUDY-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CC(CC)CC	1926355209	OSLMUDFKAOYVCY-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
CCCCC[C@@](C)(N)CCC(C)(C)CC	1933796105	LZUSBWNJXYCYHC-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)Nc1ccccc1Cl	1939046626	MEHLNLLELALCRD-NEPJUHHUSA-N	239.790	4.823	0	10	BJAE	
C[C@H](C[C@H](O)CC[C@H]1CC1(C)C)CC(C)(C)C	1940863065	KPCUODXUMBGTCD-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H]([C@@H](C)C(C)C)[C@@H](CCC)C(C)C	1941269953	UXGLOARTDUGBNE-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCCCCC2CC2)C1	1941580892	FFJRAAJBGKYLNA-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@@H](O)C1(C)CC(C)(C)C1)CC(C)(C)C	1941987433	KTZRBEIMDFUCIK-CHWSQXEVSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(F)CCCCC[C@@H]1N	1943926363	KGSYAAJKENBMQA-KKUMJFAQSA-N	243.410	4.593	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1[C@H]2CCCC[C@H]21	1945052858	JWXPQOSQOJOQGE-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(N)cc(-c2ccc(C(C)(C)C)s2)c1	1945433388	AOGLWBBZICRXGC-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCc3ccsc32)cc1	1946348803	WZDFGLYTZUCCQL-CQSZACIVSA-N	243.375	4.546	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cccc(SC)c1	1947464146	QMBGMVFFSVFCRG-WFASDCNBSA-N	249.423	4.789	0	10	BJAE	
CCC[C@@]1(CCC(F)(F)CC)CCCCCN1	1947905716	WMKZVEOUVMHCIJ-ZDUSSCGKSA-N	247.373	4.514	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)NC1CCCCCCC1	1948328311	UEBWHHCGYYHJEB-CABCVRRESA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)NCC(C)(C)CC(C)C	1948329047	YKTLRPZKCUDQFM-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@H](C)CC(C)(C)C	1949017736	LPUIASZCVJTCBU-ZIAGYGMSSA-N	241.463	4.993	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@H]1CC=CCC1	1949037965	WTBLZNKSHJJLKG-HNNXBMFYSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](C)c1nc2c([nH]1)[C@H](C)CC[C@H]2C	1949762061	KXHZHNFXEXXWMI-UTUOFQBUSA-N	234.387	4.704	0	10	BJAE	
CC1(C)CCC[C@@](CO)(CC2CCCC2)CC1	1950912608	ZDLPWHUICSNLSS-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
C[C@H](NC[C@@H]1CCCC(C)(C)CC1)C(C)(C)C	1950922150	MBGPCQFWTRTDEX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@H]1CCC[C@@H]1C(F)(F)F	1961406763	NZZKPKAQUUXIOZ-QWRGUYRKSA-N	220.278	4.711	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCC[C@@H](C)C2)cc1	1968259458	INKRUKMQJRQPBQ-HUUCEWRRSA-N	231.383	4.623	0	10	BJAE	
C[C@@H](CNC1(C2CCCC2)CC1)C1CCCCC1	1970495870	FOZHOMMCPVDWSI-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)c1ccc(C)c(C)c1	1973163849	KQGBXSDQEIGBIM-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CC(C)CCCCC[C@H](O)CCC1CCC1	1976921968	LTOKPNRZWVXJEW-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@](C)(CCCC)CNC(C)C	1978638564	MDEDYRWUTBMIBG-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
C/C=C/C[C@@](CC)(CCCC)CNCCC	1983585106	KRKXESKLEXWCBB-BOSPYUDASA-N	225.420	4.539	0	10	BJAE	
CCCC[C@@H](CC)NCCCCCC1CC1	1990040836	JWQQVJUPOQBASM-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
Cc1ccc(-c2cc(=S)c(C)c[nH]2)c(Cl)c1	1993669100	DGTIBLJEKJTXCH-UHFFFAOYSA-N	249.766	4.681	0	10	BJAE	
CCCC=CCNc1cc(Cl)c(F)cc1C	1995049450	WWTPVVSQYVVOIE-UHFFFAOYSA-N	241.737	4.556	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1c1nc(C2CCC2)cs1	1995468769	BDQFRZKSVYTBNF-PWSUYJOCSA-N	235.396	4.704	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@H]1CCC=CCCC1	2000000310	AZZHEOGDRCMFLY-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)C[C@@H]1CCC=CCCC1	2000007117	RAQYNRMBVZRISX-BZUAXINKSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@H]1C=CCCC1)NC	2000323783	ZFMOGVKDXJPVON-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C1=C[C@H](CCc2ccc3ccccc3c2)CC1	2002888552	ORHHJTACYMSHMA-AWEZNQCLSA-N	222.331	4.739	0	10	BJAE	
CCCC1CCC([C@@](C)(N)[C@@H](C)CCC)CC1	2002924943	MUWMKMLWYHRIGO-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@H]1CCCC(C)(C)C1	2002983119	KRWUIXHECBHQKF-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
C[C@]1(C(=O)c2ccc(C3CC3)s2)C=CCCC1	2003335596	UTOMCSUZFRXVMA-HNNXBMFYSA-N	246.375	4.555	0	10	BJAE	
CC(C)(C)CC[C@H](O)[C@H]1CCCCC12CCC2	2005602540	YACFZXXZJZHQRE-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC1CC(CC(=O)C2CCC(C)(C)CC2)C1	2007770117	YYOOIZBYLMBCMD-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C=C1CCCCC1	2007966282	CSWVZTJBPSLFDP-CVEARBPZSA-N	235.415	4.565	0	10	BJAE	
CCC1(CC)CC(N)(CCC2CCCCC2)C1	2009299578	QPGDQPWLWNRKDW-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C1(C)CCCCCC1	2009536479	RZFPOBYQKGBGPR-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@H](CC(C)C)C(C)C	2009616392	IOPQTLYSUWXCKA-XLBHYRNJSA-N	239.447	4.639	0	10	BJAE	
CCCCC[C@H](NCCC)C1=CC[C@H](C)CC1	2010615040	YPEKLXOPIQTIPY-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1C[C@@H]1CCCn1ccc2cccc(Cl)c21	2011566012	YELVWOMETHJEHW-AAEUAGOBSA-N	247.769	4.731	0	10	BJAE	
CC(C)(C)CC1CC(O)(CCCC2(C)CC2)C1	2014668216	JPNMGZAZIKFRIL-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](N)C1(C)CCCCCCC1	2015275184	OBCQDDPQUGAXME-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)[C@@H]1CCCC(C)(C)CC1	2015291498	SSKNOHFUDGVUPS-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CC(C(C)C)C(C)C	2015398992	LVXHDSHXZGSMTG-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
c1cc2cc(NC[C@H]3CC34CCC4)ccc2s1	2015542763	CUVQRHNGAJLJOP-GFCCVEGCSA-N	243.375	4.503	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C1C[C@H](C)C[C@@H](C)C1	2016114075	DELSWSWVCHTUHL-FMKPAKJESA-N	237.431	4.523	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H]1C[C@@H]1CC)NCCC	2016846241	BAZDKYGERNQHGH-LXTZQOSWSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C1(C[C@]2(C)CCC[C@]2(C)O)CCC1	2017117133	RRWKLQAFTVDCOP-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)CC(F)=C(C)C	2017464675	SOLFQDKEPGJZND-HNNXBMFYSA-N	243.410	4.692	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](C[C@H](C)CC)NC)CC1	2017654526	FHGIGIHTWZOJPG-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CC1CCC(CC)CC1	2017724824	ZPLGPEWOBRYSQA-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@H]1CC[C@H](CC)CC1	2017774129	KNERYKQOECGQCI-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](CC)NCC1CC(C)(CC)C1	2018134559	PSOBRPDQFWCXAQ-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C1CC(C)(C)C1)N(C)CCCC(C)(C)C	2019326620	XAZKHXYZKFKAMP-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)(CNC(C)C)CC(F)=C1CCC1	2023197192	SHZXYWWYJXNUSH-UHFFFAOYSA-N	241.394	4.588	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)[C@H]1C=CCC1	2023257587	QYKWTVALRBDYQO-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)[C@H](CCCCC(C)(F)F)NCC	2023297007	NAOMHVODGOEGFS-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCN(CC1CC(C)(C)CC(C)(C)C1)C(C)C	2024099274	RSBXXNMMEXFEAJ-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCCC[C@H]1CC(C)(C)CC[C@@H]1O	2024148599	QOUWGNFNEMWXSO-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccccc1CC(=O)C1CCCCC1	2027510252	OHGNGGBGDRVFLD-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCc1ccccc1C(=O)CCC[C@H]1CC1(C)C	2027843737	STOYWFKHYADLCQ-AWEZNQCLSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(F)c1ccc(N)cc1	2027937232	XQUABCFRDFJNJZ-KCXAZCMYSA-N	249.373	4.670	0	10	BJAE	
CCC1CCC([C@@](C)(F)c2cccc(N)c2)CC1	2027938209	COSZELGVMRGWHL-SEEARECTSA-N	249.373	4.670	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1ccc(C2CC2)cc1	2028599017	WNJWWZXANZUHPY-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CC(C)CC[C@@H](NCC1CCC=CCC1)C1CC1	2028873170	UATGXLVCWXDBPZ-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1CNC1(C)CCCCCC1	2033416258	BEVZCQJTFUTLHO-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CCC[C@H](NC1CC(C2CCCC2)C1)C1CCC1	2033765375	VZFPFRQZAGFFCL-JCYILVPMSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)c1cccc(C(C)C)c1	2035497020	VCNJHWAWTULAIY-DOTOQJQBSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCCCC23CCC3)[C@H]1C	2035885084	DTEYGQNDGLOZEI-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)CC1CC2(CC2)C1	2036756633	DREPELPSTIYGKB-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C1=CCCCCCC1	2037076299	RPAQGKXKNUDDKV-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C[C@H]2CC23CC3)CC1	2037120172	PLDZVTNILQNROQ-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
Cc1cc([C@H](N)[C@@H]2CCCC(C)(C)CC2)oc1C	2039357280	QUXBAIAOTLLJDO-UKRRQHHQSA-N	249.398	4.503	0	10	BJAE	
CCC1CCC([C@H](NC)[C@]2(C)CC=CCC2)CC1	2042026769	HLAPGFXUJBOULG-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(CCCC2CCC2)CC=CCC1	2042093502	HXDBNMWUGXITJN-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@H]2CCC[C@H](C)C2)C1	2045561358	FKDMHRCEMHZNSM-SDADXPQNSA-N	248.410	4.764	0	10	BJAE	
Cc1oc2ccccc2c1C(=O)CCC(C)(C)C	2045585317	SQKSNXPRVZPOTE-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
O=C(CCCC1CC1)c1cccc(C2CCC2)c1	2045607714	WOFQYNRMDWIJTD-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)C[C@H]1CC12CCCCC2	2047055319	JWAUUEBPUCJXEG-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2CC23CCCC3)cc1	2047055802	NPMLMMPOXCNICD-HNNXBMFYSA-N	244.378	4.769	0	10	BJAE	
CC[C@@](N)(C[C@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2048444342	BEADXRFKMVLYNM-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](CN)(CC2CC3(CCC3)C2)C1	2049494989	HDWDBJDFROGUCP-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)[C@H]1CCC[C@H](C)C1	2049539615	IBIQWERAPRHACN-YUTCNCBUSA-N	249.373	4.761	0	10	BJAE	
Cc1cc(C)nc(NC2CCCCCCCC2)c1	2049646448	BEASXKFUSVQUKL-UHFFFAOYSA-N	246.398	4.613	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@@]2(C)C=CCCC2)CC1	2049997917	RMUDKNHMSKJPJP-RDJZCZTQSA-N	249.442	4.667	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2CC23CCCCC3)C=CCCC1	2050007611	FNIZWJUGSBGCRW-ZBFHGGJFSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@@H](C)C1)[C@]1(C)C=CCC1	2050009684	ZDQNVUVLTNAXHV-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1NC1CCC(C)(F)CC1	2053904885	PUMNEGLYRWJHAG-UHFFFAOYSA-N	249.373	4.722	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@@H]2C=CCCC2)[C@H]1C	2055616820	UJUZULFVSJNADL-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)C1CC(C(C)C)C1	2056872685	GGBUVBTZUQBFNW-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
C=C=CC[C@H](C[C@H]1CCC=CCCC1)NCCC	2059446580	JLGFIAMSTPJLCA-DLBZAZTESA-N	247.426	4.612	0	10	BJAE	
CCC1(C)CC([C@H](N)C2=CC[C@@H](C(C)C)CC2)C1	2061149164	AQDMVZLKWPOCMX-CRYBEJKASA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)CC1CC(=C2CCC2)C1	2061740130	VHSWVPPWAJXRDP-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCC[C@](C)(CNC(C)C)CC1CC(=C2CC2)C1	2061741889	RGSCHOMVDNFGHG-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCCc1ccc([C@H](N)C(C)(CC)CC)cc1	2061870984	UPDXAXMOQITDPF-INIZCTEOSA-N	247.426	4.855	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)[C@@]3(C)C=CCC3)C2)C1	2063210686	HUFJSWFZRPZQPE-INIZCTEOSA-N	246.394	4.518	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC1C[C@@H]2CCC[C@H]2C1	2063427020	IFVVKQKBPBZGCP-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC1CCC1)CC12CCC(CC1)CC2	2065299243	ASWKCBMIMVWGHT-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC23CCC(CC2)CC3)C1	2065340237	UDPBOJCMZYYMJW-OTBWCIGPSA-N	249.442	4.645	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@H]2CC23CCC3)CC1	2069179062	OUWZVUYVAULPTL-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C[C@]23CCC[C@H]2C3)C1	2070927796	WAJJHIMOYNBVKR-XJNFMUPTSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C[C@H]2CC=CCC2)CC1	2072702429	LXJDHPUTJGEJJC-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(C[C@H](N)c2cc(C)c(C)o2)CC1	2072798177	HEDOBPAZCJSEKD-NRXISQOPSA-N	249.398	4.503	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CCC[C@@H]3C[C@H]32)CC1	2072872051	XAXVBWNWTXGGBF-KDQUWOQTSA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@]12CCCC[C@H]1C2	2074052778	XRNPWWJSBPVDAA-YOEHRIQHSA-N	242.362	4.538	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@]23CCCC[C@H]2C3)CC1	2074113445	MHSOUKRZZDSGTJ-VLVHBFOGSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)[C@H]1C=CCCC1	2074644795	VCAHIYLWQFHIOK-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@]12CCC[C@H]1N([C@H]1C=CCCCCC1)CCC2	2074798965	GZCJNAWBNHYPKO-GVDBMIGSSA-N	247.426	4.530	0	10	BJAE	
C1=C[C@H](N2CCC[C@H]3CCCC[C@H]32)CCCCC1	2074810481	PORFMBWUJNQKOY-IXDOHACOSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccccc1C1CCC1	2077263726	CGGORNKBPGOIID-CJNGLKHVSA-N	243.394	4.945	0	10	BJAE	
C[C@H](N[C@H]1C[C@H]1C1CCCCC1)C1CCCCC1	2079530223	NRBZWHYPXHKJEX-JQFCIGGWSA-N	249.442	4.514	0	10	BJAE	
CC(C)NC[C@@]1([C@@H]2C=CCC2)CCCCC1(C)C	2081681846	HPWHJUAXPNUFRN-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](C)[C@H]1CCC1(C)C	2081946992	NMEVICRZKZYBAL-BXUZGUMPSA-N	249.373	4.625	0	10	BJAE	
CCC1CC(CC(=O)C[C@H]2CC23CCCCC3)C1	2084996655	WYXRANQEEDLRGI-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1ccccc1CC	2086045132	UFYRMRDNJNMBND-PBHICJAKSA-N	248.410	4.889	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NC)C1=C[C@H]2CC[C@H]1C2	2086059093	DIIRYFVOVUXRNP-AESZEHBQSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@]1(C)[C@@H](N)CCCCCCC1CC1	2213575802	JITNRYQIHLXHBS-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CCC1CC1)NCCCCCCC1CC1	2213580320	YHMNDTAASBEECR-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC([C@H](O)CCCCC2CC2)CC1	2214566835	AILUUZWTNIWXCN-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CC1CCCC1	2214992982	IORBLOQEJADKQS-UHFFFAOYSA-N	247.769	4.793	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC1(C)CC(C)(C)C1	2215466988	PXMBYQBGOPEWTD-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CCN1CCCCCCCC1CC1	2216860643	QAKNROHAHSIPBP-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
CC[C@H](CN[C@@H](C)CC)CC1CCC(C)CC1	2217144252	DDCCHBZKDVVQBE-PYBGIAKNSA-N	239.447	4.617	0	10	BJAE	
C[C@@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCCCN1	2218357696	RZVUDUOFVZRJMC-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)C[C@H]1CC12CC2	2218723624	GYPWGLMBEDYBMD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C/C=C/c1ccccc1)CC(C)(C)C	2219084173	YAYPUJJTKVQYLC-YHVDPYDOSA-N	245.410	4.504	0	10	BJAE	
CC1(C)CCC[C@@]2(CCN2CCCCC2CC2)C1	2220018450	MVPIUUVSNDNQBK-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@H](CCC2CC(F)C2)Nc2ccccc21	2220655170	YSLCEJUSHJBGMC-RYSNWHEDSA-N	247.357	4.503	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H]1CCCCC1(C)C	2221932405	OFAYEIQUQNRYQO-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1CC2CC1C2	2223156147	YOQKFEKCNQXOCH-BHUNQDJPSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CC(C)(C)C2)C=CCCC1	2223600117	LJTBZRFYCIRIBB-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@@H]1CCCCC12CC2	2246614284	JFPZHCSREUSREE-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)C(=O)CC[C@@H]1CCC[C@@H](C)C1	2246662560	HAPPPASUWQRCRF-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CC[C@H]1CCC[C@@H](C)C1	2246694844	RRLFRAVLADHMSV-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](O)CC1CC2(CCCC2)C1	2246773248	XOPBTDOSEHADKF-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(O)CCC(C)(C)C1	2248870716	MWKZXEQCCJRXDQ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1CC(C)(C)CC1=O	2248880038	PWUICYIJTORCGB-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCc1ccc(NC2CCC=CCC2)cc1Cl	2249284179	MYJBZFPFRMOWKA-UHFFFAOYSA-N	249.785	4.813	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](CN)C1CCC1	2250495240	GHYLWSQMFXNNJT-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccc2ccsc2c1	2253063741	XPLRPBISLFSQHU-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
O=C(CCCC1CCC1)C[C@@H]1CCCCC12CC2	2253796083	CXXCDYGUIQXPOQ-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
O=C(CC[C@@H]1CCCCC12CC2)c1ccccc1	2253798907	YITHJGGJUSXZKB-HNNXBMFYSA-N	242.362	4.620	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](N)C[C@@H]2CCCCC23CC3)C1	2253812236	YOKULHDGCPOYIC-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C[C@H]1CCCCC12CC2	2253834028	VMQPAQUQNJJDKR-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@]1(C)NCC[C@@H]1CCCCC12CC2	2253884987	YBAMKHBVJGITSP-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H](NCC[C@H]1CCCCC12CC2)C1(C)CCC1	2253888578	AHRKOAMBLCCACS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NCC[C@H]1CCCCC12CC2	2253893222	CCYNXFSVAKBFMA-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@@]2(C)C=CCCC2)C1	2253931968	AKHHNVRRFJDDQS-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2(N)CC3(C2)CC3(C)C)C1	2253953135	YYFFSACBFDZKCX-HOBHPSKFSA-N	249.442	4.501	0	10	BJAE	
CCCC(=O)CCCC12CC3CC(CC(C3)C1)C2	2253980860	HBXUAMJBUIXXJN-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)CCCC3(CC3)C2)C1	2253998117	SZCOIGLTBUMIGJ-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCNCc1cc(C(C)C)cc([C@H](C)CC)c1	2254713860	FRCLUQIHCNRXFR-CQSZACIVSA-N	247.426	4.823	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)CC[C@H]1CCCC12CC2	2255256647	AGHZONFPKPSKBJ-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
NC1(CC[C@@H]2CCCC23CC3)CCCCCCC1	2255329772	LPZCLWRXAOYCDN-HNNXBMFYSA-N	249.442	4.789	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](C)c1ccc(CC)cc1	2259466063	YLPONYLFCWVBPE-GDBMZVCRSA-N	247.426	4.726	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CCCC[C@@H]1C[C@@H]1C)C2	2259583389	NEGQKRJTQQLTBE-UMHJVRSCSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)C[C@]12CCCC[C@H]1CC2	2260581242	DAZNQFRPKFZSIP-WBTNSWJXSA-N	248.410	4.598	0	10	BJAE	
CCC1(CNC[C@@]23CCCC[C@H]2CC3)CCCC1	2260581724	FGIQVHHJEQTZGO-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@]12CCCC[C@@H]1CC2	2260588414	RVYSRSVHHGEPAG-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@]12CCCC[C@@H]1CC2	2260615508	ZETJXTPESPYAEP-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)C[C@]12CCCC[C@@H]1CC2	2260648804	TYFRMDMDSUDMAL-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(N)(C[C@]23CCCC[C@H]2CC3)CC1	2260649196	VRSVPTLVNVYAOF-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H](C)CC2CCC2)C1	2298948215	KNIXPEXWAJQNGV-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@](C)(O)[C@@]12CCCC[C@@H]1C2	2300684204	RJZROUWVSLMCAN-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCC(C)=CCNc1ccc(C2CCC2)cc1	2300867978	SPZBMADMHXUXTL-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CN[C@H]1CCCCC[C@H]1CC1CCCCCC1	2301244988	RAAAADHYLKZHKZ-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H]1CCCCCCC[C@H]1O	2301856269	IHHPJJZEPUYENU-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@H](C)[C@H](C)C(C)C	2301864374	NDCUOWMWALLWHY-HUUCEWRRSA-N	242.447	4.738	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@@H](C)[C@H](C)C(C)C	2301868345	YPXCMMRINGNLKT-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@H](C)[C@@H](C)C(C)C	2301956760	VMZNDTAQKHUZQV-XUWVNRHRSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1[C@H](CC(=O)CC2CCCCC2)CC1(C)C	2302141006	WJUXRUCSQDOOFQ-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2nc([C@H]3CC3(C)C)cs2)C1	2302261105	ZRDZAVGNTBHARB-IJLUTSLNSA-N	249.423	4.950	0	10	BJAE	
CC1(C)CC[C@@](N)(CCCC2=CCCCC2)C1	2302328084	GAOPCRKUVZOOCL-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCC(C)(C)C(=O)CC[C@@H]1CC[C@@H]1C1CC1	2303161013	LEJJQFADMGKJGM-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCc1cc(Cl)c2ccccc2n1	2304043067	DJUQYHVXKPPQQW-UHFFFAOYSA-N	247.769	4.867	0	10	BJAE	
CCCC1([C@@H](N)CC[C@@H]2CCC(C)(C)C2)CC1	2304435258	HQMHWFVCPOIJLX-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]([C@H](N)CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304438925	ZMKUTPLACUXJEJ-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)[C@]12CCCC[C@@H]1CCC2	2308259201	BFWKDGZJIDSHJP-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H]1CC[C@@H]2C[C@@H]2C1	2310191617	HXJPBWJOSZFTEW-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@H]1C[C@H]1C1CCCC1	2311519009	ZOLQOJHFZDKKHV-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312907751	PTECORFHPBQWCF-NCOXYXGASA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313203973	KNTPIVMCNJZZGN-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)C[C@@H](C)c1ccccc1	2313705628	VMJNEIKPFIPJNI-ZIAGYGMSSA-N	244.378	4.576	0	10	BJAE	
CCc1cc([C@](N)(CC)C[C@@H](C)CC)ccc1C	2314712623	QJGHQRSNLUREGA-GUYCJALGSA-N	247.426	4.558	0	10	BJAE	
CCC(CC)CC[C@@H]1CCc2cccc(C)c2N1	2316267150	UILZLXHEODRNSO-MRXNPFEDSA-N	245.410	4.938	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(N)CCCC1=CCCCC1	2318538898	NLBVIFHLQPEGCP-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@](N)(CCCC2=CCCCC2)C1	2318566111	UCBJXXJDEXOJBV-BFYDXBDKSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320210372	BNZMHSKENRJACY-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@]2(C)C=CCCC2)CC1	2320414437	RUFBSPICJABIKD-RDJZCZTQSA-N	246.394	4.829	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@@H]2C=CCCC2)c1	2320578328	PZGCCTQYBSITHV-PBHICJAKSA-N	244.378	4.590	0	10	BJAE	
CC(C)c1cccc(CC(=O)CCC2CCC2)c1	2320639974	WCONGUPEQHXCCO-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC1(C)CC[C@@H](CCC2(N)CC(CC3CC3)C2)C1	2321631775	BXYTXENOKKZCKJ-UQPPLGOBSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCNc2ccc(F)cc21	2328275697	IUFVTNXKVGACMA-QWHCGFSZSA-N	249.373	4.941	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](NC)c1ccc(C)cc1	2328291348	HQKCMUTZVHUTKJ-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1ccc(CCC)cc1	35582859	QZEJCVBIPKZWLG-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
C[C@@H](NC(C)(C)CC(C)(C)C)c1cccs1	37100812	QUISKFHUTLHZFP-LLVKDONJSA-N	239.428	4.614	0	10	BJAE	
CCC[C@@H](C)N[C@@H](CC(C)(C)C)c1ccccc1	37128551	HJJDMZPMBZUAQF-ZBFHGGJFSA-N	247.426	4.942	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cccc(C)c1	37294648	YLLFMNIPIBGBGI-ZMSDIMECSA-N	245.410	4.614	0	10	BJAE	
CCCCCCNc1c(Cl)cccc1Cl	41571464	CMGPOYSKDLADPR-UHFFFAOYSA-N	246.181	4.986	0	10	BJAE	
CCCCCC[C@@H]1CCCC[C@H]1NCCC	71084062	MHJUTLPQROYOQO-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCCC[C@@H]1CC)C(C)C	80418203	IWVLQUJFUMRPAV-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCCc1ccc(N[C@H]2CC[C@@H](C)C2)cc1	80428170	LPSBRFOGTIXAFU-CJNGLKHVSA-N	231.383	4.630	0	10	BJAE	
CCCCCC[C@]1(O)C[C@@H](C)CC(C)(C)C1	83502608	CZZUAUPLTYQQSZ-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@]1(O)CCCC[C@H]1C(C)(C)C	83502753	SRWBLIFYQSNJIP-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1C[C@H](C)CC[C@H]1C	85086751	CPLHRPYPBCFUOY-LVQVYYBASA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CC[C@H](CC)[C@@H]1C	86096321	SZTUBEPDOWCGGH-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](NC2CCCCCC2)CC1	86894437	FFXKPKQUMALJPP-HNNXBMFYSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CNC1CC1)C(C)C	104017851	OKCBJGQBUBVQJH-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)c1ccccc1	109697044	NWKPOLWUSGYRML-ZBFHGGJFSA-N	234.383	4.501	0	10	BJAE	
CCCC[C@H](NCCC)C(CCC)CCC	124656635	URJGCEVZNNRPTB-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCC(C)(C)C2)c(C)c1	125001913	HCRGYGJHRFEGOL-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
Cc1cc(C)cc(Cn2ccc3c(C)cccc32)c1	128815055	NCYCCUJFYUENCJ-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2nc(C(C)C)cs2)C1	131970378	KIXUSZYIGKYCQT-NEPJUHHUSA-N	237.412	4.950	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)c1cccc(C)c1C	162079393	SDRRFXGTSAWYQQ-CXAGYDPISA-N	247.426	4.780	0	10	BJAE	
CCCC[C@@H](CC)c1c[nH]c2ccc(OC)cc12	232997876	VGWNZVUIGOEFCX-GFCCVEGCSA-N	245.366	4.860	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@H](C)c1ccccc1	233541448	XAWSZWOITQEBJF-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@@H]3CC[C@@H](C)C3)c2c1	235386279	BHVSETUSDPPFKA-ZWNOBZJWSA-N	227.351	4.688	0	10	BJAE	
Cc1ccc([C@H](N)C2=CCCCCCC2)cc1C	235910495	SDLCFXKZIUJJDV-QGZVFWFLSA-N	243.394	4.584	0	10	BJAE	
Cc1cccc2c1NC[C@@H]2[C@H]1CCCCC1(C)C	235917000	QVULLWWSKYORPP-LSDHHAIUSA-N	243.394	4.721	0	10	BJAE	
Clc1ccc2c(c1)[C@@H](CC1CCCCC1)CN2	236069068	NGNGAZSLENSHAO-LBPRGKRZSA-N	249.785	4.820	0	10	BJAE	
Fc1ccccc1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	252425847	QMOVQJSKHCYCHF-MELADBBJSA-N	247.357	4.597	0	10	BJAE	
CCN[C@@H](CC)CCCCC1CCCCC1	300747906	JZGOGWMZHPFIIZ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
C[C@H](C[C@@H](N)CCCC(C)(C)C)C(C)(C)C	300775298	AMCTVKASYFJXQU-OLZOCXBDSA-N	227.436	4.602	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1CCCC(F)(F)C1	302406074	KJHISCDVIMHNFC-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)CCC(C)(C)C	302491045	IZIJGDHOLVDTGX-LLVKDONJSA-N	237.362	4.761	0	10	BJAE	
CCc1ccc(O[C@@H]2/C=C/CCCCC2)cc1	302545217	ZCUUETPRCDXTAK-PMGBHYCQSA-N	230.351	4.517	0	10	BJAE	
Cc1ccc(C)c(NCC(C(C)C)C(C)C)c1	302573372	PSEDRAVWOSOEIU-UHFFFAOYSA-N	233.399	4.644	0	10	BJAE	
Fc1cc2c(Cl)ccc(C(F)F)c2s1	306910861	JKWBYJOUHHYARQ-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@H](C)CC(C)C	310101005	KUTGXFFNABRIMC-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCNCC/C=C/CC1CCC(C)(C)CC1	310171978	UGKLQCRQOAUDMO-AATRIKPKSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)C)C(C)(C)C(C)(C)C	310540472	CBCZBULLFAIHRX-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](N[C@@H](C)C[C@H](C)CC)C1CCCC1	313408255	LWRYMAPJPKQHIS-YCPHGPKFSA-N	239.447	4.760	0	10	BJAE	
CCCNC[C@@]1(CCC(C)C)CCCC[C@@H]1C	319208930	RNIIEGVYNCTLPR-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@@H](C)n1ccc2c(Cl)cccc21	319630780	PKYAEMTXFCYJLT-GHMZBOCLSA-N	235.758	4.902	0	10	BJAE	
CCC[C@@H](N[C@H](CC)C1CCC1)c1ccccc1	322345001	DEQGFBOPMGLRAK-IAGOWNOFSA-N	245.410	4.696	0	10	BJAE	
CCCN[C@@H](CCC)CC/C=C\c1ccccc1	324274682	LULJLZXAKSMMPR-OLXGIWCBSA-N	245.410	4.648	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC(C)C)CC(C)(C)C	379605254	BDYZCHIRDQLDLI-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C)[C@H](C)C[C@@H](C)C1CCCCC1	379943238	YIAKUIZTAKMFGD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC/C=C/c1c(C(C)C)[nH]c2ccccc12	380390375	YHNUISFOJDRVAL-VMPITWQZSA-N	213.324	4.715	0	10	BJAE	
CCCC[C@H](C[C@H](C)c1ccccc1)NC(C)C	384682316	ARARTLICBWWZKY-DOTOQJQBSA-N	247.426	4.737	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2cccc3ccsc23)C1	386219725	JMVYDTOUFDBPBU-WCQYABFASA-N	245.391	4.892	0	10	BJAE	
C1=CC[C@H](CNc2cccc3ccsc23)CC1	386266101	XJBQXDMFHAWBCZ-LBPRGKRZSA-N	243.375	4.670	0	10	BJAE	
CC(C)C1CC(N[C@H]2CCCCC23CCCC3)C1	386548982	STZYSBADWCGSGK-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
Cc1cscc1NCc1cccc(C2CC2)c1	387363526	VFNWZFXFRVQNFN-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
C[C@@H](NCCC1CCCCCC1)C1CCCC1	394520284	AEQCMPYAZWEUKV-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(CCCCNC(C)(C)C)CCCCC1	394694395	RJWYVDIXAUCKMO-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC[C@H](C)CC1	394859449	KOCYLRNNNATOJZ-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
CCOc1cc2c(CC)ccc(Cl)c2s1	396194138	UOGQPWVIDFGMIY-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1sc2cc(C(F)F)ccc2c1C	396240116	KUFBEZGNRRDJBN-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
COc1sc2cc(Cl)ccc2c1C(F)F	396297910	WVAGEQRIZZEARM-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC(C)[C@]1(C)C[C@@H]1N[C@@H]1CCCCC12CCCC2	397168613	CXVZGXVUCIIVFI-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H](CC)CC(F)F	688731604	SNMPXNRPHXSGGQ-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
C1=CC[C@@H](CNc2cccc(C3CCC3)c2)CC1	690120826	HLPIAZSUTHADFR-CQSZACIVSA-N	241.378	4.722	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)C1CCCCCCC1	692056552	APNBWPZNUFYGAQ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@H](NCC1CCC2(CC1)CC2)C1CCCCC1	695698255	DKAYNCOBYWINNG-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC1CCC2(CC1)CC2	695760652	OEDQNJNWIIZGAO-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CC(C)(CC[C@H](N)[C@@H]1CCCC2(CC2)C1)C1CC1	695958893	RMHLGFPFQGRARJ-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)C1CC(C)(C)C1	701452891	WXXMSLPYMWFJAH-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCCCCCC1(N)CCC(C2CCC2)CC1	704461473	PGFCURRPCNDLPH-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)CCC1CCCCC1	704932589	ATMFTSFEDKZKHC-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H](C1CCC1)C1CC1	705300175	WDGXDXUMKBHGFB-QGZVFWFLSA-N	241.378	4.555	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)[C@]12CCCC[C@@H]1C2	709101119	YORDCUAANPRHDP-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H](C)[C@]12CCCC[C@@H]1C2	709155049	RUMSFRHRSCHFEG-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@@]1(O)CCCCC[C@H]1CC	709201340	UJENIFSESFDBEL-HUUCEWRRSA-N	226.404	4.678	0	10	BJAE	
Cc1cc(N[C@H](C)c2ccc(C)s2)cs1	710705481	LENWLLPQQPSNOU-SNVBAGLBSA-N	237.393	4.600	0	10	BJAE	
CC(C)CCCCC[C@]1(O)C[C@H]2CC[C@H](C2)C1	711119831	POITVFIKVDIXBG-MUJYYYPQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C1CCCC1)C1CCC1	711829725	AGNCRFDMMRVPOK-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCN[C@@H](C)CC1CCCC1	712589359	QWXOEQGDMKIJIG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](c1ccccc1)[C@@H](C)CC(C)(C)C(C)C	713143837	XJAILLIKGOKEQV-HOCLYGCPSA-N	247.426	4.656	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H]1CCCCC1(C)C	713325886	LRTOTAUQAYPCEK-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
C=C/C=C/CCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714390569	NYDPZEVDBOEYCW-RLOKBPJSSA-N	246.394	4.684	0	10	BJAE	
CCC(CC)C[C@@]1(CNC)CCC=CCCC1	718996416	HWDFLOALYYFQKW-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
Cc1cccc(S[C@@H](C)c2ccccc2)c1	1188682826	ASKZAKPRVNELPQ-ZDUSSCGKSA-N	228.360	4.848	0	10	BJAE	
CCC[C@H](CC)S[C@@H]1CCC[C@H](C)C1	1459058228	BSFMQLBPQYCXJR-RWMBFGLXSA-N	214.418	4.877	0	10	BJAE	
CC(C)CCCCCC[C@@H]1CCCC[C@@H]1N	1902107860	CMYBTFGNFJXCEH-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@](C)(N)CC[C@@H]1CCC(C)(C)C1	1903422955	VCTQPKYHFRVMAN-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC(=CCl)C[C@H]1CCCCCCCC[C@@H]1O	1913397878	KNTUWZPDKFVWET-KGLIPLIRSA-N	244.806	4.631	0	10	BJAE	
CCCNC[C@@]1(CCC(C)(C)C)C=CCCC1	1916563515	KWYNKKWHEZPCAJ-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC[C@](O)(CC[C@H]1CC1(C)C)c1ccccc1	1921547522	YJMAUCRVCYWPDS-RDJZCZTQSA-N	246.394	4.501	0	10	BJAE	
C1=C[C@H](CC[C@H]2CC3CCC2CC3)CC1	1932592626	KITUJGABLNTRBG-PPWQZUPISA-N	204.357	4.559	0	10	BJAE	
Cc1ccc(N[C@H](C)C(C(C)C)C(C)C)cc1	1940249366	SULSIQLLRYNTKN-CQSZACIVSA-N	233.399	4.724	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C[C@@H](C)CCC	1940795143	FNGZGOHWRXVIKA-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1(CCCNCC2(C)CCCCCC2)CC1	1940845530	JTCMPCDIRYTEON-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@@H](CC)C(C)C	1941266712	IXDGZPMACQMFTL-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)CCCCCC1CC1	1941579582	PRENNQAGUCHUJD-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CCCCCCC(=O)[C@@]12CCCC[C@@H]1CCC2	1944222309	NWFOEVQCJDJNNE-GDBMZVCRSA-N	236.399	4.886	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@]12CCCC[C@@H]1CCC2	1944225450	ZSGSPNANIHQCON-SQWLQELKSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@@]1(CNC(C)(C)C)CCCC1(C)C	1944475323	KGGNNGRYGRYWKM-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@H](C)[C@H](C)CC(C)C	1948332682	NQRQAJIYSPELPU-GEEKYZPCSA-N	241.463	4.717	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CCCC1(C)CC1	1949056222	VPILEYCVLSMASU-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCC12CCC2	1949321352	AUKKDCNMRZWZCA-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
CCN[C@H](CC)CC[C@H]1CCC2(CCCC2)C1	1949552207	PROHOKBWFBJOCX-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC1(C[C@@H]2CCC(C)(C)[C@@H](N)C2)CCCCC1	1949658412	AZTVNTGZTQKBSK-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@@]1([C@H](C)CC)CCCC(C)(C)CC1	1950924442	YRGQYJACTWSBPF-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(C)CN(Cc1ccccc1)[C@@H](C)C(C)(C)C	1953230252	AKCFCQIQZWSNAV-HNNXBMFYSA-N	247.426	4.579	0	10	BJAE	
Clc1sccc1N[C@H]1CCC2(CCC2)C1	1959169588	NINHZSHKAZZIQY-VIFPVBQESA-N	241.787	4.536	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N[C@H]2CCCC23CCCC3)C1	1967700238	VWHJGEMUSLJYOV-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](Nc1cccc(C2(C)CC2)c1)C1CCCC1	1967832508	OTPUVQMTVDHVFL-CYBMUJFWSA-N	243.394	4.729	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC2CC3(CC3)C2)cc1	1968369914	ZYOMLFLUIXPTLG-CYBMUJFWSA-N	244.378	4.769	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CCC12CCC2	1968602318	IZDRQWUAUXRXBC-INIZCTEOSA-N	243.394	4.863	0	10	BJAE	
C1CCC(CCN[C@@H]2CCCC3(CCC3)C2)CC1	1968849049	NGJGCHDJRXHMKJ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H](NC1CC(C2CCC2)C1)C1CCCCC1	1969164565	DZODTKIPCLJWDF-OFLPRAFFSA-N	249.442	4.514	0	10	BJAE	
CCCc1cccc(-c2ccnc3ccccc23)c1	1972239444	ZOUZBCJFXLDMMB-UHFFFAOYSA-N	247.341	4.854	0	10	BJAE	
CC1(C)CC(CNc2ccccc2C2CCC2)C1	1973432287	ZCJPQRMQELYVOM-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CN(CCC1CC1)[C@H]1CCCCC12CCCCC2	1974449948	OQAFXKDIXBNPCK-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCCC(C)(C)[C@H](O)CCC1CCCCC1	1976004084	UJDYSHVGIZUEMN-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cc(C(F)F)cs1	1977077760	CPPMJIZXMGLCKU-VIFPVBQESA-N	247.354	4.512	0	10	BJAE	
Cc1cscc1NC[C@@H]1CCCC(C)(C)C1	1980264233	FNRNCEDLOBEYSD-GFCCVEGCSA-N	237.412	4.685	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(F)c(F)cc1Cl	1980289656	VXCSQJLDULWHNR-MRVPVSSYSA-N	247.716	4.609	0	10	BJAE	
CCC[C@@H](CC)NC1CCCCCCCC1	1980337718	WQMDSRKELXHWPL-CQSZACIVSA-N	225.420	4.658	0	10	BJAE	
CCC[C@H](C)CCC(=O)c1ccccc1Cl	1980685569	SSIWPOPNKAEXGD-NSHDSACASA-N	238.758	4.739	0	10	BJAE	
CC(C)=CCC[C@@H]1CCC(C)(C)CCC1=O	1984462245	MFRGWBXGYIYRFB-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@](O)(CC)C[C@H]1CC[C@H](CC)CC1	1989772482	PEMYMOSPJSYSKP-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1CCC[C@H]1C	1990091696	QATMPJJVZYCCIW-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@]1(CC)CCN[C@@H]1CCCC	1990094393	VRJWVJOWMQBUSD-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](N)c1ccc(-c2ccccc2)s1	1995692856	VBKOBPFJDCLEKZ-ZDUSSCGKSA-N	245.391	4.605	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](NC2(C)CCCCCC2)C1	1995825066	BJTNDSSMSUDOPW-FICVDOATSA-N	237.431	4.514	0	10	BJAE	
CC[C@@](O)(CCC1CCCC1)C1CCCCC1	1996546472	KMWSCKBTROLNQN-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)C1(C)CC=CC1	1997546591	NYNWIYDTCALBQM-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](NC[C@]1(C)CC=CCC1)c1cccs1	1997581175	KKHWFSFJOLDGMW-UKRRQHHQSA-N	249.423	4.535	0	10	BJAE	
C[C@@H](NC[C@H]1CCC=CCCC1)c1ccsc1	1999994998	AEIFDKIDBCMJDI-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)C[C@@H]2C=CCC2)s1	2000208847	NXICQXPQFFXQJF-LLVKDONJSA-N	248.391	4.585	0	10	BJAE	
CCCN[C@@H](CC(C)C)C1(C)CCCCCC1	2000391050	TYBGCOQNFIEKNT-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CN[C@H]1CCCCC12CCCCC2	2001597164	SDBJIRZLFZIDLA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)[C@H]1CCC[C@H](C)C1	2003026898	JBKHRIPRGXJYTD-FZKCQIBNSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H]1CCCCCCC[C@@H]1O	2003117607	OHZGZJIRQIQAND-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1CCC2(CC2)C1	2003210070	AUFPOVLQCDONKJ-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCC1CC(CC(=O)CCC2CCCCC2)C1	2007769852	VBEFNXSONIRCRT-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H](C)C1CCCCC1	2007854781	HJLANBOSHZPDDI-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC=C(C)[C@@H](O)[C@H]1CC[C@H](CCCCC)CC1	2007861015	KFJXDJAJPCJHHO-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
CC=CCCCC(C)(C)[C@H]1CC[C@H](C)CC1=O	2009576195	JDLFJJVLHFXFPZ-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@H](C)[C@H](NCCC)C1	2009618459	BWDHQQIKTJRJRG-DEOFCCLISA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](N)C(C)(C)C1CCCCC1	2009629226	QFPYPRQZOAFCMR-MBVDDHJVSA-N	237.431	4.667	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C1=CC[C@H](C(C)C)CC1	2010715220	KOVMZHADPNMUIN-ZFWWWQNUSA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H](C(=O)CC1CC(=C2CC2)C1)C(C)C	2011069742	ZENOVJGAXITVCJ-OAHLLOKOSA-N	234.383	4.518	0	10	BJAE	
CCCNC[C@@](CC)(CCCC(C)C)C(C)C	2012427022	QPCRQYFLWUGCHI-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CSc1ccc(N[C@H](C)[C@@H]2CCC2(C)C)cc1	2014906409	ZDHOLSSINREBSE-RISCZKNCSA-N	249.423	4.645	0	10	BJAE	
CCN[C@H](CC[C@H](C)C(C)C)CC1CCCC1	2015411469	GCAWUOAHBILJTI-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(CN)C(C)C)CC1	2017728389	KYZKPIXTQBQANR-JYJNAYRXSA-N	239.447	4.604	0	10	BJAE	
CCC1(C[C@]2(N)CCCC[C@H]2C(C)(C)C)CC1	2018983704	ZMZOROHLJZUZPE-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](NCC)C2(C)CCCC2)CC1	2018990631	NUHTWQZBLFXWCQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@H]1CCC[C@@H](CC)CC1	2019388701	ITFGYRRQYSCRDR-JONQDZQNSA-N	239.447	4.712	0	10	BJAE	
CCC(CC)N(CC)C[C@H]1CC[C@H](CC)CC1	2019475088	JXXZLGAWEGDHPB-SHTZXODSSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCCCC(C)(F)F	2023352768	GJIZBSVOZXYVBN-GFCCVEGCSA-N	248.357	4.988	0	10	BJAE	
CCCC[C@@H](CCCC1(F)CCC1)NCCC	2025275257	OJFFJJFFLOKOHE-AWEZNQCLSA-N	243.410	4.607	0	10	BJAE	
CCCC[C@H](C)C(=O)Cc1ccccc1CCC	2027906052	ODFLASVPBVNMDP-AWEZNQCLSA-N	246.394	4.577	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC2(C3CCCC3)CC2)C1	2029737998	LPLBXTZWUHTDSH-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)[C@@H](N)c1ccc(C2CCCC2)cc1	2031743424	DCGNTKNBSCHHDH-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
C[C@H]1CC(C[C@]2(N)CCC23CCCC3)C[C@H](C)C1	2031828350	RFYNTFVEYVEFHI-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@@H]1CC12CCC2	2032136331	SPKSOJUQHLHJPX-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](NC2CCC3(CCC3)CC2)[C@H]1C	2032254325	BPRNDMKUKHMDFX-LZWOXQAQSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(C(=O)CC2[C@@H]3CCC[C@@H]23)CC1	2032782108	GGGFXOZAKDCCGG-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](NC2CC(C3CCCCC3)C2)CC1	2033833142	ZDRWONMRWYDHDW-BTJUWIDLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CC[C@@H]2CCCC[C@H]21	2034255843	FWQSFQODZPFQFR-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CC[C@H]2CCCC[C@H]21	2034255845	FWQSFQODZPFQFR-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCCC12CCC2	2035402583	DTMKOYQMEREDMS-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@H]1CC12CCCC2	2036103382	CWXRVVBSFTWTSA-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@H]1CC12CCCC2	2036103386	CWXRVVBSFTWTSA-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C1CC(C)(CC)C1	2036487287	PZZVVVJLHIJOEU-CGZBRXJRSA-N	245.410	4.554	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](CC2CC3(CC3)C2)C1	2036730486	QURKOLCLFJJOLA-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C2=CCCCC2)CC1	2037095410	LUUAODBPCDAZBH-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CC(C)(CC[C@@]1(N)CCCC[C@H]1C1CC1)C1CC1	2037160798	OKAHEFILPHNPHU-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(CCC1=CCCCC1)[C@@H]1CC1(C)C	2037168247	FTMVXVAKCWSMLJ-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2C=CCCCC2)CC1	2037272681	CPABZRDIFAGDQH-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H]1CC[C@@](C)([C@H]2CCC3(CCCC3)C2)C1	2037697265	GBMXBMQTIUTPCX-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C=C1CCC2(CCNC2)CC1)CC	2038435010	NOTZTUWUIWTWNX-LDCVWXEPSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2CCC3(CC3)C2)CC1	2038572049	NZQGPTBZTBOSSA-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1cc(C)ccc1C	2039448409	TVVTXCLMYJEREP-GDBMZVCRSA-N	243.394	4.708	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H]1CCC12CCCC2	2043190293	IEZQOGGMQQAXGG-HOCLYGCPSA-N	247.426	4.578	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)C1[C@@H](C)[C@@H]1C	2043287114	OVHCDYPRXGCOLB-OFQRWUPVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC12CC2)C1(CCC)CCC1	2045817026	YPFPRKQEPDUTFS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@H]3CCCCCC[C@H]32)CCC1	2047412075	IYZLPGUITWXWTI-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(CN[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	2048385948	SFNUZPKNPCIPCR-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(NCC2CCC(CC)CC2)c1	2049350880	XHVSYVDYZQNXDQ-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CC(C)c1cccc([C@@H](O)CC2(C)CCCC2)c1	2049794707	ZLDHLSFRJACSRT-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CC2CCC3(CC2)CC3)C1	2049950852	KFKWNTMJLKEBFB-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(CN)CCC3(CC3)CC2)C1	2056522537	HUZIAXFKHLMKNF-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)C(C)(C)C1CCCC1	2056880352	BHYWQDBDIKWQRO-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCC)c1ccc(C)cc1F	2059260256	WOHQQLGFMGQRQI-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
C[C@H]1CC=C([C@@H](N)C(C)(C)C2CCCCC2)CC1	2060925931	OBJREWJHVUOZIF-XJKSGUPXSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C1CC1)C1=CCC(C)(C)CC1	2061093204	WCHKBGFFSRBJRQ-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C[C@]12CCC[C@@H]1C2	2061621354	FMZCXONADPXMIH-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](CC1CC(=C2CCC2)C1)NCC	2061723827	VGTDLCGYQXWECT-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCC(C)(C)[C@@H](CC1CC(=C2CCC2)C1)NC	2061723981	WVSIXAZHDXSJPG-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C1(C)CCC2(CC2)CC1	2062637421	JFYBAUCMWRNATI-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@H](C)C1(C)CCCC1	2067507272	AAOCJYFNLKBVIX-LSDHHAIUSA-N	245.410	4.614	0	10	BJAE	
CC(C)(C)C1CCC(N)(C[C@H]2CC23CCC3)CC1	2069174693	KLINZTAHEYGOPR-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2(CC3CC3)CCC2)C1	2069502782	ADIAGAWCUUENOQ-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CCC[C@@H]3CC[C@H]32)CCC1	2071940126	HSPDXPOTYNKCRA-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@@H](N)[C@@H]2CC23CCCCC3)CCC1	2071948525	FQXBFDMMTDBMCV-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)c2ccccc2C2CC2)CC1	2074565890	FDPVEERJDPLESI-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)CC1	2074591426	QDDPOQBASJFQIC-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@@H]1CCC2(CC2)C1	2074634273	OMSNKZLMADTWBN-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)CCC1=CCCCC1	2075151921	NICPHVVQSRCJCH-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
CC1(CCC(=O)[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079493111	VSWOEWPGTVCHBA-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](N)c1ccc([C@H](C)CC)cc1	2079518178	GKGDTSTYEOUNTI-VDNDLQMASA-N	245.410	4.636	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1C[C@@H]1C1CCCC1	2079623462	GWIGZWKXHZQELI-JKSUJKDBSA-N	243.394	4.542	0	10	BJAE	
CCCC[C@]1(C[C@H]2C[C@@H]2C2CCCC2)CCCN1	2079705685	IRCADCQUHFULON-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCCC2CCC2)CCC[C@H]2CCCC[C@@H]21	2081134700	XCIBNYVCDRPXQF-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1cccc(C(C)(C)C)c1	2083544994	GABIXSFFLCNZEE-OAHLLOKOSA-N	247.426	4.810	0	10	BJAE	
CCCCCC[C@@H](CC1C2(CC2)C12CC2)NCC	2083573297	FMPXXQXZRAVTFU-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC(C)(C)C1(C)C	2084372310	WJGPGSMVPXKCIT-AWEZNQCLSA-N	245.410	4.794	0	10	BJAE	
CC1(CCN[C@@H]2C[C@H]3CCC[C@H]2C3)CCCCC1	2086159929	YYOHQJXOOONMSK-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(Cl)cc(OCCCC2(C)CC2)c1	2212531128	HJWZORLKBQQCMV-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CC(C)CCC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213276521	ASWRMORKDZUJCM-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](CCCCC1CC1)NCC	2214576087	AGTGJCXIVGXODW-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
O=C1CCCCCCC[C@H]1CCCCC1CC1	2214586358	VQNAZZYZPFWDQL-HNNXBMFYSA-N	236.399	4.886	0	10	BJAE	
CC[C@H]1CC[C@]1(N)CCCCCCCC1CC1	2216858423	CVUOQZRKDWNWMH-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CC(C)(C)C)C=CCCC1	2217126215	SYJAFZMOROIQBP-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCC1(C(=O)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218337885	ZZLMVHKQNRCWOE-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CC2(C)CC3(CCC3)C2)[C@H](C)C1	2221084199	REOQDQXGQLERRV-MJBXVCDLSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)(CNC[C@@H]2CCC[C@H](C)C2)CC1	2221644818	VIRIJEFVBYDMRQ-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)c1c(C)cccc1C	2222010606	CTXXQWQIZHSXRC-DOTOQJQBSA-N	248.410	4.799	0	10	BJAE	
C[C@]1(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC[C@H](N)C1	2222948103	FWEVPBVOFWBETJ-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
Cc1nc(C)n(CCCCCCCC2CC2)c1C	2223132670	MRXINDFLIJCPRW-UHFFFAOYSA-N	248.414	4.559	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CC2CCCC2)CC=CCC1	2223595941	OYNOSIOTHZCLIN-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)c1cccc2ccoc12)C(C)(C)C	2224157810	HKBKLTUPUFVESS-LLVKDONJSA-N	244.334	4.688	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1ccc(C)c(Cl)c1	2244781339	DPKPLTOYOAPDHH-RISCZKNCSA-N	240.774	4.508	0	10	BJAE	
CC(=O)C[C@H](C)CC[C@@H](C)CCCC(C)C	2244845435	PEOLRHJOEXLHLL-UONOGXRCSA-N	226.404	4.844	0	10	BJAE	
CCN[C@H](CC)CCCC[C@H]1CCC[C@H](C)C1	2246726629	KSRWQUGPEDTPEI-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC1CC2(CCCC2)C1	2246768615	BYBISIANYJYELY-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@H]1CCCC[C@@](C)(N)C1CCCCC1	2247162891	IRWWONZJSLAABQ-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CNCC1(C)CCCCCC1	2250382491	TYCKZWLCZPYNTG-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](CN)C1CCC1	2250495239	GHYLWSQMFXNNJT-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@]12CCC[C@@H]1CC2	2251174845	JCARLUDOJOTEFB-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](N)C1CC(CC(C)(C)C)C1	2251540168	YSCXHBATAILICY-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H]1[C@H](CCCCCC(C)C)CCC1(C)C	2251724637	YYTXPBRJYSVXGI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)CC[C@H]2CCCCC23CC3)o1	2253862244	IDYCVFSLFDXKPM-CYBMUJFWSA-N	246.350	4.521	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N1CC[C@@H]1CCCCC12CC2	2253862805	JWAJZWVJDQXMAO-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1CC[C@H]1CCCCC12CC2	2253881285	ORTGORMHQLPQOL-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC1=CCCCC1)[C@@H]1CCCCC12CCC2	2255134225	TXHLZHIEUONFGE-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CC[C@@H]2CCCC23CC3)C1	2255258631	KIZNLJCEKBAIPX-PMPSAXMXSA-N	249.442	4.502	0	10	BJAE	
CCc1cccc(F)c1NCCC(C)(C)C1CC1	2256111087	JVORVNWZJOXAPN-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
Cc1ccc(OCCCCC[C@@H]2C[C@@H]2C)c(C)c1	2257246118	DLOJQWRYPDGYJR-GOEBONIOSA-N	246.394	4.899	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCCCC[C@@H]1C[C@H]1C	2257288443	HFEXXXRHEMHZRX-INMHGKMJSA-N	245.410	4.601	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3CC[C@H]2C3)cc(C)c1C	2258250558	ZQFLWBWUVHTNTC-HLLBOEOZSA-N	243.394	4.602	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@@]12CCC[C@H]1CC2	2260488153	NTHLPYFFKSHUAF-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@]12CCCC[C@@H]1CC2)C1(CC)CC1	2260581670	FADPFLFREQYJGQ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
Oc1ccc(-c2cccc(C3CCCC3)c2)cc1	2260737807	MNEWONVZXMITGP-UHFFFAOYSA-N	238.330	4.717	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@]12CCC[C@@H]1CC2	2298701835	VDWYIUCZTAQIEJ-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)C1(C)CCCCCC1	2298946320	FTZZPQPKDVOOTG-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCCC(F)(F)C1	2300678092	HAALYMFEYDUGPN-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)CC[C@H](CN[C@@H](C)CC)C1CC1	2300687774	GEZSHQVQAZTBAG-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](O)CC12CCC(CC1)C2	2300688921	RXGKFZRFNVICQH-PCKAHOCUSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1c(C)cccc1C	2300689059	UGLJYHRLBKFYNC-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CCC(CC)CCC(=O)C1[C@H]2CCCCC[C@H]12	2300697407	OPEKINDCXIBFFU-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@H](O)CC=C(C)CC)CC1	2300882889	YMXZXHMIWCQDNF-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
CCCC1CC([C@H](CC=C(C)CC)NCC)C1	2300899228	MDGXAOWSHNZWOZ-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCC1([C@H](CC2CCCCCC2)NC)CCC1	2301245533	XRBVYYXZCPSURI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)CCCCC2CC2)CC[C@H]1C	2302580192	QFWYQGPUZQNWTL-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(CC[C@H]2CCCC[C@H]2N)CC1	2302659532	AMFWHZWOSVBRET-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](C)(N)CC[C@@H]1CC[C@@H]1C1CC1	2303156819	FKKAHQWAZIECBR-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303509488	BCVCMMLPSHBGCO-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC[C@@H]2C[C@H]2CC)C1	2303612531	CRCXKXHNPABXBB-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
c1sc(CC2CCCC2)nc1C1CC2(CC2)C1	2304394242	PEEMLGNNLLBCRP-UHFFFAOYSA-N	247.407	4.533	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(C)CCCCCN2)C1	2304411066	NNQCGEMMQHJXCG-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)CC[C@](C)(O)c1ccccc1	2307821943	JWLBPKDRYVTESK-ZBFHGGJFSA-N	234.383	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](C)C[C@@H](NCC)C1	2307908813	RFJXKPPLYNOCAX-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC1([C@](C)(N)CC[C@@]23CCC[C@@H]2C3)CCCCC1	2310381939	KUFYXQYAYZGRFV-DJIMGWMZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@@]23CCC[C@@H]2C3)c2ccccc2N1	2310883090	YWGAPAOIGPRTAX-UMPJEAMMSA-N	241.378	4.555	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)[C@@]12CCCC[C@@H]1CCC2	2311564900	LSZNJYBETCIFFB-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@H]1CCC[C@@H]2C[C@H]12	2312333637	SPRSPNFRMIAYFJ-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H](C)[C@@H](C)C(C)C)c1	2317907171	OCVQRMYOFYBOEJ-ZFWWWQNUSA-N	246.394	4.723	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H](C)[C@@H](C)C(C)C	2317990156	JOMTYZSGURTGGE-UXLLHSPISA-N	247.426	4.656	0	10	BJAE	
CCCN[C@@H](CCCC1=CCCCC1)CC1CC1	2318589483	QRGRWCDEUDCHIZ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)[C@H]1CCC1(C)C	2318591634	AFQPZDPGMDPWEL-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)[C@@H]2CCCC3(CC3)C2)C1	2319110128	HUOZFHWZIMFMSY-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCCC[C@H]3C[C@@H]32)CC1	2319257962	GMXXTTWHRLRIRR-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CCC2)CCC(C)=C(C)C1	2320264980	DJZAREWNBCLSCV-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@](N)(CC[C@@H]2CCC[C@H](C)C2)CC1	2320267962	KOLBBYOIIXHEHK-RRQGHBQHSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](O)[C@]2(C)CC=CCC2)CC1	2320330463	YBPLMNXZGAAWNF-BRWVUGGUSA-N	248.410	4.620	0	10	BJAE	
CC1=C(C)C[C@H](CCC(=O)c2ccccc2)CC1	2320387682	JBCBKICRJRPRTN-HNNXBMFYSA-N	242.362	4.786	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCCCC[C@@H]2CN)CC1	2320390614	LQGFFBJAKYNWMN-IXDOHACOSA-N	249.442	4.668	0	10	BJAE	
CCC[C@H](N[C@H]1CCC(C)=C(C)C1)[C@@H]1CC1(C)C	2320419776	KXRFTMDOBWDVFW-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@H]2CCCC23CCC3)C1	2321528240	IRFZMYGPMCCEJK-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CC3CCC2CC3)C1	2321643042	UFTVZRWKKZQLNE-BJDYSFLHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)c1ccc(CC)cc1	2328191774	YCRMCVBXOCMTNJ-NVXWUHKLSA-N	247.426	4.639	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCC[C@@H](C)[C@@H]1C	21795797	KSUCEWVVXRBTJW-XFIYOXNOSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCCN[C@@H](C)c1cc2ccccc2o1	38093456	GWLKHAVVQOVNBN-ZDUSSCGKSA-N	245.366	4.520	0	10	BJAE	
CNc1ccc(Oc2ccccc2C(C)C)cc1	77388180	ORKIJXNQNRUMRK-UHFFFAOYSA-N	241.334	4.644	0	10	BJAE	
CCCCC[C@@]1(O)CCC[C@H](CCC)CC1	83520676	OJRGJQCREZQQBT-LSDHHAIUSA-N	226.404	4.678	0	10	BJAE	
CC(=O)c1cccc(SC2CCC(C)CC2)c1	85082650	CDMFVQVEROLLRX-UHFFFAOYSA-N	248.391	4.560	0	10	BJAE	
CC(C)c1ccc(O[C@H](C)c2ccccc2)cc1	85151350	XFTKWYCUXDWOMV-CQSZACIVSA-N	240.346	4.950	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C2CCCCC2)CC1	86940178	NUFFDGUDQHRFBN-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CN)c1ccc(C)cc1	93136849	XPVRSSQNHHCQON-DOTOQJQBSA-N	247.426	4.644	0	10	BJAE	
CCN[C@H](c1cc(C)oc1C)C1CCCCCC1	110227172	NUWPPDYZXSIUGX-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)c1coc2ccccc12	122989719	JGDWLDOQJLKFRE-IUODEOHRSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC1CCCC1)NC	125212840	DSPCXHLGLANNGW-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc([C@@H](C)CCNC(C)(C)C)cc1	132713505	HTXBFHSDEJPXPI-AWEZNQCLSA-N	247.426	4.692	0	10	BJAE	
CCCC(CCC)[C@@H](NC)c1sccc1C	132917247	VSZFMWDMRJWQLF-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1cccc(C2CCC2)c1	133517734	SXAKNHIZQAUXBQ-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCCCc1ccc2c(c1)[C@@H](NCC)CC[C@H]2C	136912197	OUJYCNMUNSCHTR-DYVFJYSZSA-N	245.410	4.577	0	10	BJAE	
C1CCC([C@H]2CCCCC[C@H]2CNC2CC2)CC1	155836421	UTOJRBPHODVNNM-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](N)[C@H](c1ccccc1)[C@@H](C)CC	159629309	ZLOHXIKEYTWDBI-XIRDDKMYSA-N	247.426	4.724	0	10	BJAE	
C[C@@H]1C[C@H](N[C@H](C)c2ccccc2)CC(C)(C)C1	159806976	WIVXLGBRRYXYGB-FMKPAKJESA-N	245.410	4.552	0	10	BJAE	
CC(C)CCCNc1ccc(C(C)C)cc1	165132852	DCBKXGMRUOJROF-UHFFFAOYSA-N	219.372	4.658	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C2CCCCCC2)C1	167554009	MWSPJXXJICOSLG-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCCCCC(=O)C(C)(C)C	202069372	MQTMKFDMKKECAE-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](CC)c1ccco1	225984818	FICWAPBABIAFMB-KBPBESRZSA-N	237.387	4.679	0	10	BJAE	
CC1(C)CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1	226620898	VVTDDCZRXOFRPR-SNVBAGLBSA-N	248.757	4.510	0	10	BJAE	
CCCN[C@@H](c1cc(C)cc(C)c1)C(CC)CC	229498072	TXPOUJYTFGQCED-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
C[C@H](CC1CC1)Nc1ccc(C(C)(C)C)cc1	229668101	XDZYCNSXENVCOK-GFCCVEGCSA-N	231.383	4.585	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H](C)c1ccccc1	232991867	CKKMWHLFPKJEQW-GJZGRUSLSA-N	246.394	4.966	0	10	BJAE	
CCCC[C@H](C)C(=O)[C@H]1CCC[C@H](CC)C1	300936600	NFRDAASZHWPCKX-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCc1ccc(NCCC2CCCC2)cc1	302285379	VWAAKGLOXAQEDB-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(N)C[C@H](C)CC(C)C)c1	302372346	OQWAEKSLSWHYOY-PBHICJAKSA-N	247.426	4.550	0	10	BJAE	
c1cc2c(c(NCCC3CCCC3)c1)CCCC2	305898111	SWSOOLYQSFKLCO-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
Cc1ccc(Cl)c(O[C@H]2CCC[C@H](C)C2)c1	309172878	AYTYAMFAPYGTGR-JQWIXIFHSA-N	238.758	4.606	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCC[C@@H](C)C1)NCCC	310458752	XJZNTVNDGTURCA-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC1CCC(C)CC1)C(CC)CC	310516967	LDFXOWNUQKVOEK-XUJLQICISA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@](CNC2CC2)(C2CCCC2)C1	317812417	NFFQRJZFCFIRQB-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
C[C@H]([C@@H](O)CC/C=C/c1ccccc1)C(C)(C)C	324066718	XHGCTBRXSISFLN-AKIZESGZSA-N	246.394	4.523	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@@H](C)C1CCCCC1	381876024	MKKAYEPWOCOHDG-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](C)[C@H](C)CNC(C)(C)C	382667307	PDRPRZVBRGBUMT-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC(C)CCCCCC(C)(C)CNCC(C)C	383212110	CKHSBSSUZSAPQN-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
Cc1ccsc1[C@H](N)CCCCCC(C)C	383279888	OWLQTJWEADPQKI-CYBMUJFWSA-N	239.428	4.663	0	10	BJAE	
Cc1ccc([C@@H](N)CCCCCC(C)C)s1	383304849	UPQMIJOEYYJZET-ZDUSSCGKSA-N	239.428	4.663	0	10	BJAE	
CCCC[C@H](CC1CCC(C)CC1)NC(C)C	383883970	KECJLQMURVLCSC-UYSNPLJNSA-N	239.447	4.760	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C[C@H](C)c1ccccc1	384893135	LWWVVNYODZQMBC-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
CCCNC[C@@H]1CCC[C@@H]1CCC1=CCCCC1	384931714	IKZZHNWJNSEPQD-SJORKVTESA-N	249.442	4.683	0	10	BJAE	
CC[C@H](Nc1cc(C)cc(F)c1)C1CCCC1	387644574	YGQWQNSJCLJORC-HNNXBMFYSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H](Nc1ccccc1Cl)C1CCCC1	387683059	SPNQRJDYANPSBH-CYBMUJFWSA-N	237.774	4.721	0	10	BJAE	
Cc1ccc(F)c(C(=O)C[C@@H]2CCC[C@H](C)C2)c1	394148004	FOVHDAJNMADYBN-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CCOc1c(C)c(C(F)F)cc2sccc12	396252543	ULACFPVVSDZFDX-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CC[C@@H](Nc1ccc(SC)cc1)[C@@H]1CC1(C)C	397638608	XTFRAUIZSCOUDI-UONOGXRCSA-N	249.423	4.645	0	10	BJAE	
C[C@H]1C[C@@H](CCC2CCC2)Nc2ccccc21	398628086	IRFSPYIUXWFZMR-GXTWGEPZSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CCC(C)(C)C1CC1	405723331	OXFFWOYTVFVFNX-DZGCQCFKSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CNc2ccc(C3CC3)cc2)CCC1	687278866	COXSPFJYMGKODN-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)CCCC1CCC1	688357638	JMOJZNRTPWXWRM-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](c1cccc(C(C)C)c1)C(C)C	688920623	KYVWQOCFVXGAHK-INIZCTEOSA-N	233.399	4.507	0	10	BJAE	
CC[C@](C)(NCC1(C)CCCCCC1)C1CC1	691511481	RRXKSNRJQSCVNG-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](C)[C@@H](C)CNC(C)(C)C	696807668	UAQDVFPBCFPJBW-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
C1CCC(CC2(C3CCCCCC3)CNC2)CC1	696821084	HBZJLYFIPHPVKE-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCC1CCC([C@@H](N)CCC=C(C)C)CC1	697759862	VRYFINSHINBQNN-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CC(C)=CCCC[C@H]1CC2CCC1CC2	698019383	ZLLAOHXVRJQFFG-NRXISQOPSA-N	206.373	4.949	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@@H]1CCC[C@H](C)C1	700865942	BNOFBNKAUZXHGO-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CCC(CNCC2=CCCC2)CC1	702332879	KPJNMPJSKMGVDT-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCC[C@]1(N)CCCCCC(C)C	704976794	HQLBPIROQDOOEL-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C1CCC1)C1CC1	705322880	IJQAHYPDYUMVPE-QGZVFWFLSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(O)CCCCC[C@H]1C	709193286	MMYSACPUYGMEIN-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1Cc2nc([C@@H](C)CC(C)(C)C)[nH]c2[C@@H](C)C1	709277326	XQPVGAXSQRYRSF-SRVKXCTJSA-N	248.414	4.635	0	10	BJAE	
CC[C@@H](CC(=O)c1cc(C)cc(C)c1)C(C)(C)C	711184610	LBCZFEHNDAHSLO-HNNXBMFYSA-N	246.394	4.949	0	10	BJAE	
C=C/C=C/CC[C@H](CCCCCC)NCCC	713687896	VVZHOADUQLVYQA-MNDMWVCDSA-N	237.431	4.847	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)c1ccc(C)cc1	713736408	UZWLMDKJPGGMAP-LXXRFIIISA-N	243.394	4.558	0	10	BJAE	
CC(C)=C(C)CCc1ccc(C)c(C)c1	718748967	AHXZIESUZWNSRU-UHFFFAOYSA-N	202.341	4.592	0	10	BJAE	
CSc1ccc(C(=O)CCC(C)=C(C)C)cc1	719151782	UGFNMSDIXMBXPH-UHFFFAOYSA-N	248.391	4.728	0	10	BJAE	
N[C@]1(CC2CCCCC2)CC[C@@H]2CCCC[C@@H]2C1	723610833	CGYNXBLRGFNJBR-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1[C@@H](Nc2ccc(C3CC3)cc2)CCC[C@H]1C	821905854	IUKJFYALXREMLT-IGCXYCKISA-N	243.394	4.801	0	10	BJAE	
CCCCN(CCCC)CCC(C)(C)C1CC1	1191297906	SMAPUQDVNZYGFI-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@H]2CC[C@H](C2)C1)C1CCCC1	1206246984	COMKCQYSBXABAF-ABFRBSLYSA-N	249.442	4.514	0	10	BJAE	
C1=C(CCSC2CCCC2)CCCC1	1472923505	FABXYIRJTBIFAP-UHFFFAOYSA-N	210.386	4.553	0	10	BJAE	
CC[C@@H]1CCCN(C[C@H](C)CC(C)(C)C)CC1	1653361005	YHOLVAZTZBVFSD-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNCC2CCC=CCC2)C1	1658045926	ZDHJYEZQFPDSEC-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
Cc1sccc1-c1ccc(C2CC2)s1	1889520021	XGVUWGORTMFQGX-UHFFFAOYSA-N	220.362	4.662	0	10	BJAE	
Cc1cc(O[C@@H](C)CC2CC2)c(C)cc1Cl	1899377570	LBKHKQWZBJKMDG-NSHDSACASA-N	238.758	4.524	0	10	BJAE	
CCc1cscc1N[C@@H](C)C1CC(C)(C)C1	1902377541	VLKBKBUYKFXYSB-JTQLQIEISA-N	237.412	4.547	0	10	BJAE	
CCC[C@H](CC)CN(C)c1cccc(Cl)c1	1905306784	WUYQAZHIXCVZQE-LBPRGKRZSA-N	239.790	4.603	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(N)CC3(CCCCC3)C2)C1	1912727840	NBFORQNDTKESLP-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCC3(CCCC3)C2)c1	1916438257	OLCWEDPGDDUYFY-CYBMUJFWSA-N	247.357	4.659	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CNC2CC2)C=CCCC1	1916565379	SEFKAYHBIMSWSS-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@](O)(CC)Cc1ccccc1C(C)C	1919536401	GFOSJSITAVWENA-KRWDZBQOSA-N	248.410	4.684	0	10	BJAE	
CC1(C)CCC[C@](O)(CC[C@@H]2CC2(C)C)CC1	1921535645	DESLQNQWVJYJDU-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CCCC1)NC[C@@H]1CCCC12CCC2	1921636565	PBZYRQWDWTXBEB-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@H](CC=Cc2ccccc2)CCCC1	1925879383	KPUQGSRAWLEJAQ-HNNXBMFYSA-N	212.336	4.836	0	10	BJAE	
CCC(CC)CC(=O)C[C@H](C)c1ccccc1	1926152104	IVEYMZWCPIYNFN-ZDUSSCGKSA-N	232.367	4.576	0	10	BJAE	
Clc1ccc(Cl)c(C[C@@H]2C=CCCC2)c1	1932606827	LOWOLZHDPFEQSO-SNVBAGLBSA-N	241.161	4.892	0	10	BJAE	
ClC(=C(Cl)c1ccccc1)c1ccccc1	1933230253	FTIHFTVXYNBUSM-UHFFFAOYSA-N	249.140	4.990	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCCC1(C)CC1	1935940492	PKGDAPNZWZLAFG-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H](C)CC1(N)CCCCCCCCC1	1938723431	ZRYHWBGHJDRQRH-CQSZACIVSA-N	225.420	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC2(C)CCCCC2)C1	1940410916	ULOPXGFAJRUIQY-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@](CC)(CCCC1(C)CC1)C(=O)O	1940875987	KOOWKXVHTLCKJQ-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccc(C2CC2)cc1	1941558198	GQRAHHLUZVLEEJ-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](C)(F)c1cccc(N)c1	1942657203	DDGZLCLOGYBMJR-IUODEOHRSA-N	237.362	4.526	0	10	BJAE	
CCC(CC)C[C@]1(O)CC(C)(C)CC2(CC2)C1	1943082542	RNOIGZRJXBXCBE-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCN[C@]12CCCC[C@@H]1CCC2	1944194438	KXVQJGNFHPLKCW-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC(CCCC(=O)C(C)(C)C)C[C@H](C)C1	1944199784	PYGCOZOAMYEORN-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)C(C)(C)C1CCCC1	1944618758	QHTPMYVJPDGFOU-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CC)CNC[C@H]1CCC(C)(C)C1	1945586941	NRDMZVBCDCOLQE-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CC[C@H]2CC[C@H]1C2	1947113810	ZNGHPHDJBZUILU-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCC[C@@H]2C(C)C)c1	1947459653	CCIBPALIMLYNGY-CVEARBPZSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@@H]1C(C)C	1947462739	MZDQHUMJEJGMSO-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@@H]1CCCCC12CCC2	1947863575	IYEHNIQQJIRZFY-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H](CC)CC(F)F	1949019041	OMZWMOFEQIXEMU-OUCADQQQSA-N	249.389	4.602	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](O)CC2CCCCCC2)C1	1949421119	KOXACDUBVDLNQZ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1(CC)CCC1	1951238280	IMLLQRDXUDJRII-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCCC1CCC(CC2(C(C)=O)CC2)CC1	1951608873	PFPMFBINENHKPA-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CN(CC)CC1CCC(C)CC1	1963157856	YZKICFNZILASRV-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CC[C@H]3CC[C@H]2C3)CC1	1967765481	MGDBCPBGAJRADF-QSFKDOLUSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NCC2CC(C(C)(C)C)C2)c(F)c1	1968326243	DUNPMPPCPCZHFM-UHFFFAOYSA-N	249.373	4.618	0	10	BJAE	
CCCC[C@H](C)NCc1cccc(C(C)(C)C)c1	1968585729	LEEDVKNTXBCUOE-AWEZNQCLSA-N	247.426	4.652	0	10	BJAE	
CC1(C)CCC(CNC2CC3(CCCC3)C2)CC1	1972925746	XJSOGBOMABNFBT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](CCCC(C)C)NCC	1976011819	ZRKQWGBUWTVQQM-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
C/C=C/CCCc1ccc(C2(C)CC2)cc1	1984612499	NFEZDDNSBSNKIE-ONEGZZNKSA-N	214.352	4.637	0	10	BJAE	
Cc1cc(Cl)cc(CC2CC(=C3CC3)C2)c1	1985529618	UMOJPJYLWRJSOU-UHFFFAOYSA-N	232.754	4.691	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@@H](C)C(C)(C)C	1986938640	OTQKNNYFEXSOLU-UKRRQHHQSA-N	227.436	4.602	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)CCC1CC1	1990099622	WXBUKXDQVZVXAA-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CCC(CC)N(CC)CCCCCC(C)C	1990847477	ZVHKCZLOFBUSGK-UHFFFAOYSA-N	227.436	4.713	0	10	BJAE	
CC(C)CCCCCN1CC[C@H](C)C[C@@H](C)C1	1995764188	MLLUDMLWMXCAFF-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CC[C@@H]([C@](C)(O)C2(C)CCCCC2)C1	1995986624	PIBHHPPBFRPPCR-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@H]1CC[C@@H](C)C1)CC(C)(C)C	1996260074	MGPLJTAUDVUADN-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
C1=C[C@@H](Cc2ccc(CC3CC3)cc2)CCC1	1996625689	MLJDQTJELTWXHX-CQSZACIVSA-N	226.363	4.538	0	10	BJAE	
C[C@H](CN(C)[C@@H]1CCC[C@@H](C)CC1)C(C)(C)C	1997209476	XAJQESDQYNAHFW-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CCC=CCCC1)C1CCC1	1999988892	UXAJLZPDYQTRNR-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](C(C)(C)CC)C1(C(C)C)CCC1	2000388767	XCRCPWHGPVHEHL-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)[C@H]1CCC[C@H](C)C1	2002999869	XSHWIYOPIVHUQA-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(C)C)C1CCCCCCCC1	2003094018	AVENGYSJWWWMQJ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC1CCC1)NC1CCCCCCCC1	2003098827	ICXLHANAWIVCAH-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@@H]1CCCCCCC[C@@H]1CC(C)C	2003110553	FCTKTCVPXXYDPJ-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@H](N)c2sccc2C2CC2)CCCC1	2003179227	MFGGZFTULBKICI-ZDUSSCGKSA-N	249.423	4.596	0	10	BJAE	
CCC(C)(C)CCCC(=O)c1ccccc1F	2003681227	ZMNJVDWDZYANNS-UHFFFAOYSA-N	236.330	4.615	0	10	BJAE	
CC(C)CCCCC[C@]1(CO)CCCC12CC2	2005579697	LLLPRLDIUVZOGQ-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCCCC12CCC2	2005599537	ICEGTXVINOUVPD-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@@H](CCC(C)(C)C)C1	2006623282	IENOBDOHJGYKAY-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@H]1CCCCCCCCC1=O	2006729517	HYPYBQDDPGIZHP-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@H]1CCC[C@@H]1C	2006755704	SBIXPWQXBIFMPW-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H](C)c2csc(C)c2)CCC1	2006923788	WENJQPGWPXKIMU-HIFRSBDPSA-N	249.423	4.596	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CCC[C@H]1C(C)C	2007622690	NVDDSVNYHDRMKI-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H]1CCOC2(CCCCC2)C1	2009591604	WKBWQDFLBGLPKC-HNNXBMFYSA-N	236.399	4.862	0	10	BJAE	
CCCC1CC(O)(C[C@@H](C)C2CCCCC2)C1	2009711646	ARLLXZAPFVWHFT-VQCLRJIVSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(N[C@@H](CCC)C2CC2)C1	2009713695	DSVQKUWEJDSGAW-BCLQGDPASA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1C=CCCCCC1	2013320216	SWAWJLWRXGZWAS-JKSUJKDBSA-N	237.431	4.680	0	10	BJAE	
CCN[C@@H](C)c1cc(C2=CC[C@@H](C)CC2)cs1	2013608214	RSRCGBVGDURFBF-NEPJUHHUSA-N	249.423	4.622	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@]1(C)CCCC(F)(F)C1	2014954330	KUJYJCBBDCLGQI-YPMHNXCESA-N	246.341	4.597	0	10	BJAE	
CN[C@H](CCCC(C(C)C)C(C)C)CC(C)C	2015355801	CBPJJRSQDQXRRD-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CCC(CC)(CC)CN(C)CC1(CC)CCC1	2015625236	APAPIEHTJGPVKX-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCCCC[C@H](CC1(CCC)CCC1)NCC	2015640034	NPLVWVUBMLGOEF-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC(C)(C)C1(C[C@H](O)CC2CCCC2)CCC1	2017114607	NNKCWTBTTHTBRQ-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CN[C@@H]1CCC[C@H](C(C)C)CC1	2017469625	TULLXJNJDOOXPI-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(F)CC1(N)CCC(C(C)(C)C)CC1	2017471176	WRMXLYTVZRVBBA-UHFFFAOYSA-N	241.394	4.574	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@H](CC)C(C)C)CC1	2018994528	BWMUUYBRSXSUKR-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CN(C)C[C@H]1CC[C@H](CC)CC1	2019297643	NIINLXAVYKZJCP-BZUAXINKSA-N	239.447	4.571	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1C[C@@H]1C1CCC1	2022382721	GYIXHDDEVGJYEL-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](NCC)C(C)(CC)CC	2022485197	RKRHHXQLIMUSFK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H](CC(C)C)C(C)C	2022553062	CMBDCWBRIWDPAA-KFWWJZLASA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC[C@H](C[C@](C)(N)CC2CCC2)C1	2024095197	PVTNCROWTVGXDK-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CC(C)(C)CCC2=O)C1	2024118453	NKUTVLQPLYUAHI-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)[C@@H](C)CC(C)C	2026164310	RRWCFTUQSJTCLR-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCC)C1CC(C)C1	2026164374	SECRKYIQLHVWRM-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
c1sc(CC23CCC(CC2)C3)nc1C1CCC1	2026536059	PDHQTOWGNMSEOG-UHFFFAOYSA-N	247.407	4.533	0	10	BJAE	
C(CCC1CC1)CCN1CCC[C@@H]2CCCC[C@@H]21	2028638164	XOKMNDRZOAELCM-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1ccccc1CC(C)C	2028927722	QMCFWYHHQKXKNJ-HIFRSBDPSA-N	244.378	4.504	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](NC)c1ccc(C2CC2)cc1	2029074842	NJDZDLFXZRAZQC-DCGLDWPTSA-N	245.410	4.507	0	10	BJAE	
CC1(C[C@@]2(N)[C@H]3CC[C@@H](C3)C2(C)C)CCCCC1	2029601677	XTFLWOPVHRQEBH-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c([C@@H](O)[C@@H](C)CCC(C)C)cc1C	2029836782	LXFHDTYYVHXEPD-SJCJKPOMSA-N	248.410	4.718	0	10	BJAE	
CC1(C)CC(CC(=O)[C@]23CCCC[C@H]2CCC3)C1	2031855588	QAGFQAYXENGVBS-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccccc1C(=O)C1CCC(F)CC1	2032101502	OSBHPTYCOQSQPQ-UHFFFAOYSA-N	248.341	4.521	0	10	BJAE	
CC(C)NCC(=C[C@H](C)C1CC1)C1CCCCC1	2032149661	MOQKAWJCBPAMQT-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CC[C@H]2CCCC[C@@H]21	2034265737	VTOFAESURNPSQF-DVOMOZLQSA-N	247.357	4.515	0	10	BJAE	
Cc1cc(C)c(CNC(C)(C)CC(C)C)c(C)c1	2034940307	LJJZBKUHJNJJCY-UHFFFAOYSA-N	247.426	4.526	0	10	BJAE	
C[C@@H]1CCC[C@]1(CNC(C)(C)C)C[C@H]1C=CCC1	2035588290	NRRJSNYDWOTKPW-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1CCCC1)CC1CC2(CC2)C1	2036757587	XTVCTFAZMPUJHF-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)c1ccccc1C1CC1	2037106304	CUPLABBHTKGJSE-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)C1C(C)(C)C1(C)C	2037212063	LFXBIONJQFBRJG-SJKOYZFVSA-N	249.442	4.523	0	10	BJAE	
c1ccc2cc(N[C@@H]3CCC34CCC4)ccc2c1	2037477977	NQJJMLXDTSULGD-MRXNPFEDSA-N	237.346	4.584	0	10	BJAE	
CCCN[C@H](CC1CC2(CCC2)C1)C1CCCC1	2037979345	KPADSSSSGMWMDG-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@H]1CCC2(CC2)C1	2038571641	LEIRWEIUJZGWAI-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](c1ccccc1)[C@H]1CCCC(C)(C)CC1	2039375749	LHKMRLCURDBKGW-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
CCC1CCC([C@@H](N)[C@H]2C(C)=CCC[C@H]2C)CC1	2039436967	QWFYEJDZBOQESP-HPDBWDTBSA-N	249.442	4.523	0	10	BJAE	
C[C@H](C[C@H](N)[C@@]1(C)CC=CCC1)C1CCCCC1	2042018011	AKKWMRZALPNTPD-PVAVHDDUSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1NCC1(C)CC=CC1	2042079253	WKOSEDKPKDUJPK-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NCCC[C@H]1CC1(C)C	2043193030	FQAJKMJYWNEEGD-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC1(C(=O)CC2[C@@H]3CCCC[C@@H]23)CCCCCC1	2045605618	IFZNUGMJLSOMBM-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1	2046486278	NHYMOUOSYFWZPE-QLPKVWCKSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CC23CCCCC3)C(=O)C1	2047063313	VGGDTHCMTPIDCF-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCCC1CCC(N)([C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2047356112	BIOJBBGAWIWLSH-ILZRDFNYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@]1(CN)CCC12CCC2)C1CCCCC1	2047938389	GACOFHFWMNUHPU-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
F[C@@H]1CCCC[C@H]1Nc1cccc2ccccc12	2055158825	IGVGERHDWWEYMJ-GDBMZVCRSA-N	243.325	4.532	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2CCCC[C@@H]2F)cc1	2055250210	NCSYAYVNTVQJHN-CABCVRRESA-N	248.341	4.521	0	10	BJAE	
CC[C@](N)(CC1CC(C2CC2)C1)C1CCCCC1	2056651839	VXTWKODPMZRFMZ-PGEKIEPBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2CC(C3CCC3)C2)C1	2056669856	PKIUCDZIMOUFKX-ZHGJTGPASA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C1(C2CC2)CCCC1	2057600648	DTDIEMBPIGKHJI-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CC=CCCC[C@H](N)c1ccccc1C(C)(C)C	2059198115	KVBHUHWUSZXFPE-INIZCTEOSA-N	245.410	4.730	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)C1(C)CCCCC1	2060920133	BYBSPIVLYAWOOJ-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC1=CCCC[C@@]1(O)C1=CC[C@H](C(C)(C)C)CC1	2061097257	APPMWBMQZJLRNZ-YOEHRIQHSA-N	248.410	4.620	0	10	BJAE	
C=C=CCC[C@@H]1C[C@H](CC)CC[C@@H]1CNCCC	2061564210	XCDWSROSXLXUSF-BRWVUGGUSA-N	249.442	4.550	0	10	BJAE	
CCCN[C@H](CC[C@]12CCC[C@@H]1C2)C1(CC)CC1	2061570115	BPNCMRITUWDERE-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](N)CC[C@]23CCC[C@@H]2C3)CC1	2061574469	HXXDTDCSFMPZBM-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
NC1(CC[C@]23CCC[C@@H]2C3)CCCCCCCC1	2061618685	WGZYIGYJJDRPRR-CVEARBPZSA-N	249.442	4.789	0	10	BJAE	
CC1(C[C@H](O)CC2CC(=C3CCC3)C2)CCCC1	2061688218	MOTBBSXTSSNCRR-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1CC2(CC2)C1)C1CCCCC1	2064504008	YRXPOUYSWDFJJI-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC1(N)CCC2(CCCCCC2)CC1	2065899143	YGNAIKURVLPHQM-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CC[C@H](CCC(C)C)NCc1c(C)cccc1C	2065995807	QYIJRXPEVSXXME-MRXNPFEDSA-N	247.426	4.608	0	10	BJAE	
CC(C)c1cccc(NCCC2CCCCC2)n1	2066347220	OXOGJRSIPJDPHH-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
C[C@@H](N[C@H]1CCC2(CCCC2)C1)C1(C)CCCC1	2067523590	ZOIZXXIUXGEVTH-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2C[C@@H]3CC[C@H]3C2)CC1	2068709267	ZHIVYTKQJHSSNE-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C[C@@H]1CC12CCC2	2069196042	FGNVZZQWETYGSW-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1CC[C@H]2C[C@H]1C2(C)C	2070398411	MBFVDESEPUMPQS-QKPAOTATSA-N	249.442	4.536	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CCC3(CCC3)C2)CCC1	2071942555	FSMAOCYHYGPOLO-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1ccc(CC)cc1	2072418081	QWQGUDPZEKQIFV-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1	2072869989	XAXVBWNWTXGGBF-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](COc2cc(C)ccc2C)CC1	2072877363	HIIZDDRKOFFHMW-WKILWMFISA-N	246.394	4.899	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)[C@@H]1C[C@H]2C=C[C@H]1C2	2073290036	ZUBYRCSAGGTDPJ-XAJHFOFHSA-N	249.442	4.536	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CCN[C@@H](C2CCC2)C1	2073770837	AFXSGFCEXDVNQW-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H]1CC[C@H]1N(C)CCC1=CCCCC1	2075147788	XHRDSVLMBYVEHI-IAGOWNOFSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1c(C)cccc1F	2076038279	AODNSGSXTWHXCA-HNNXBMFYSA-N	249.373	4.531	0	10	BJAE	
CC=C(CC)[C@H](NCC)C12CCC(CC1)C2(C)C	2077187058	JAAZRPMDCYSAIX-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1(C2CC2)CCCC1	2077193517	AZPTVIGIHYFCMT-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@@H]1CCC=CCCC1	2081780012	OGGUIOOMCPPVPF-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CCC1CC(C[C@@H]2CCCNC23CCCCC3)C1	2083817731	NIXWEJNJICIULP-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(CC(=O)C[C@H]2C[C@H]2C2CCCC2)C1	2084987966	FNERJXOZLJKPCZ-ITMHDFIRSA-N	248.410	4.598	0	10	BJAE	
c1cc(C2CC2)ccc1-c1ccc2c(c1)NCCC2	2088996622	BHRAPODWDJXTQX-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1scc(C)c1C	2210571824	IVNMPDMOTHBVFQ-ZDUSSCGKSA-N	237.412	4.501	0	10	BJAE	
CC1(CC[C@@H](N)C2CCCCC2)CCCCC1	2214777257	QZELZVMBGHAEKK-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@H](C)N[C@H]1CCC[C@H](C(C)(C)C)C1	2216260235	WURHKMIAKAEIFR-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCCC1CC(CN[C@@H](C)CC)(CC(C)C)C1	2217139204	NWGGPJBMIRZDLV-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CCCCC1CC1)c1ccc(C)cc1	2220041443	QAQLHNPMOZQLFE-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
C[C@@H]1CC[C@H]1C[C@@]1(N)CCCCC12CCCCC2	2220672280	LXKQZRNWQRENMW-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	2220874569	IGNVJHYKQSNNDX-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@]1(N)C[C@H](C)CCC1=C(C)C	2220959943	LFYPXKOCIMPERP-PNBKFKSVSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2CC[C@H]3CCCC[C@@H]3N2)C1	2221026208	SXHQTEUEGWDVFT-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1	2221660177	IXABMTVSMZUHIL-LTIDMASMSA-N	249.442	4.536	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1=O	2222973861	YNUMMZKFYPWDGW-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCNCCC=CC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222974017	SUBQJYONVITUGX-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)NC[C@@H](c1ccc(C)cc1)[C@@H](C)CC	2223549439	JDMBNGSFJJUHIR-YQQAZPJKSA-N	247.426	4.513	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1csc(C)c1C	2242614673	GEENBVFGIMQAJR-JSGCOSHPSA-N	239.428	4.581	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)c1cc(C)cs1	2244782998	OCHYUDNNIIUYFW-TZMCWYRMSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@@H](C)CC[C@H](C)CCCC(C)C	2244836974	MGCDTYKCQAIGBQ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](CCSc2ccc(N)cc2)C1	2246725352	GPKBNCOVRKGZJG-STQMWFEESA-N	249.423	4.577	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC[C@@H](C)c1cccc(N)c1	2247091640	JUHMMBLLWJMTHP-RDBSUJKOSA-N	231.383	4.589	0	10	BJAE	
CCCC[C@@](C)(CNCC)C[C@H]1CCC1(C)C	2247316438	YDTFLJFUNZRPAE-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@H]1CC=CCC1	2248813386	DWOOHWYVCDHTFV-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CCCCC[C@@H]2C[C@H]2C)C1	2248819421	JZVWXGJDTUBUJA-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CCCCC[C@H]1C[C@@H]1C	2248866355	OVBJGFYFJWEZFH-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1CCC(C)(C)CC1	2250387672	QVJMKSREDVNYGJ-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@@H]1CCC=CCCC1	2250392229	ZTBOLIIZDXNKNQ-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@@]12CCCC[C@H]1CC2	2251098617	FRTNCAQMDQLZNS-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCN[C@@]12CCCC[C@H]1CC2	2251143852	ZWJDZPIKWUDHDX-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@H]1CCC(C)(C)C1	2252635139	MGUNNOISPXRAJF-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)c1ccc2ccsc2c1	2253063139	TWSAMCZAJPOBIJ-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
O=C(c1ccc2ccsc2c1)C1CCCCC1	2253126115	GDMPOSTULDPRBB-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2CCCC23CC3)C1	2253911540	SQZDOTDWHILEQG-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@@]23CCC[C@@H]2C3)C1	2253931000	OZHSGHJNXWCQJB-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
C[C@@]1(C(=O)CC2CC3(CCCC3)C2)C=CCCC1	2254107945	MQXFHFFKOQLXQH-MRXNPFEDSA-N	246.394	4.662	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCCC[C@H]2C[C@H]2C)c1	2254603960	FXALIPXGHKOBMA-HLLBOEOZSA-N	245.410	4.520	0	10	BJAE	
CCNC[C@H]1CCCCC[C@@H]1CC1=CCCCC1	2255095005	DJPPQGIOXRJPJX-IAGOWNOFSA-N	249.442	4.683	0	10	BJAE	
C[C@H](CC[C@H]1CCCC12CC2)c1ccc(N)cc1	2255234935	QXYZCTNZWNZEPA-UKRRQHHQSA-N	243.394	4.733	0	10	BJAE	
CCCC1(C(=O)CC[C@@H]2CCCC23CC3)CCC1	2255311664	BGIUDTDYJOVENF-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1CC2(CC(C)C2)C1	2259593485	FEVRFCYYQQWPQB-MPAHFKLVSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(CN[C@]23CCCC[C@H]2CC3)CC1	2260531570	AWOVCDYFSOYLOW-GQGLESIBSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](C[C@]12CCC[C@H]1CC2)C1CCCCCCC1	2260583580	PKWRGLSQOSCXIH-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H]([C@H]2CCNc3ccc(F)cc32)C1	2261340780	XLRIGJJPENIPRK-WCQYABFASA-N	247.357	4.551	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H]1CCNc2ccc(F)cc21	2261347670	HRULHBWIVPMYRJ-MRVWCRGKSA-N	247.357	4.551	0	10	BJAE	
CC1CC(CC[C@H](N)CC2(C)CC3(CCC3)C2)C1	2261498172	UPXRCHZCESOEHN-NRXISQOPSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@@]1(C)CC=CCC1	2300698069	WMMCIEOUJFQMIV-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@@H]1CC[C@H](O)[C@@H]1C)CCCC(C)C	2300865628	PQESURWSHMTRTP-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CC[C@@](O)(CC=C(C)CCCC(C)C)C1CC1	2300913220	CLQSSJJAXPNXQM-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](N)CCC1CCCCC1	2301954226	XZMWZUBDLJGMGP-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](C)c1ccc(C)c(C(CC)CC)c1	2302235371	FZOLYEALHOOQLB-ZDUSSCGKSA-N	233.399	4.569	0	10	BJAE	
Fc1ccc(F)c(CCCC2=CCCCC2)c1	2302345147	OIMNJLNSRJDMBC-UHFFFAOYSA-N	236.305	4.788	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CCC(C)(C)C1)NCC	2302747568	FLJZBBDCBJUGRE-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCCC[C@@H]2C[C@H]12	2302908960	ZIKDFHRKJGFCPH-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CCCN(CC[C@H]1CCC(C)(C)C1)CC(C)C	2304447629	PWIQXVHLNXHWLK-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)CC12CCC(CC1)C2	2307891351	BXTORWXLXHFQEQ-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1	2309399915	USJOUESTTYBPSP-TUVASFSCSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C[C@@]12CCC[C@@H]1C2	2310891516	QRGQTJYQYISILW-YLFCFFPRSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC[C@@H]1C[C@@H]1C)c1ccc(C(C)C)cc1	2312460770	OSXFEUHFWQSVBQ-XKQJLSEDSA-N	245.410	4.507	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CCC[C@@H]3CC[C@@H]32)C1	2312670681	QXTLZSUBPPEPIC-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312904064	XJVQURIVORDKCZ-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@@]12CCC[C@@H]1CC2	2313292029	HIDKVGHYRZWBQW-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(C(=O)[C@@H]2CCCC2(C)C)ccc1C	2314698513	ZTUVBAFVFDMBOQ-HNNXBMFYSA-N	244.378	4.566	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1ccc(C)c(CC)c1	2314713662	VTVLNXSMRMVLGJ-DLBZAZTESA-N	248.410	4.663	0	10	BJAE	
CC(=CC[C@]1(N)CCC[C@@H]2C[C@@H]21)CCCC(C)C	2316535656	JASUFPVNYCTSRO-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1ccc(F)cc1C1CC1	2317104531	XSCWCMPVLFULOO-GHMZBOCLSA-N	248.341	4.568	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1CC12CCCC2	2317941085	MGOQLKLJLAEDEL-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
CCCN[C@H](C)c1ccccc1CCCC(C)C	2318388828	GSZCHPPENTVWLE-OAHLLOKOSA-N	247.426	4.726	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCCC[C@@H]3C[C@@H]32)C1	2319323084	KAWZVPVLAIMBDJ-QTPCEWDRSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@H](CNC[C@H]2CCC(C)(C)C2)CC1	2320373492	SLYATNRBAMYUJU-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](O)c1cc(C)ccc1C(C)C	2327676688	BDKJZUVDDKLVJS-KEYYUXOJSA-N	246.394	4.588	0	10	BJAE	
COCCCCCc1cccc(C2CCCC2)c1	2327797334	UTDSPFCQQKYWIC-UHFFFAOYSA-N	246.394	4.703	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cc(C)c(C)cc1C	2328205834	GLQXXEJFBHVYCJ-DOTOQJQBSA-N	247.426	4.828	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1cccc2ccoc12	2328205894	HAPSRBDILXERAP-DOMZBBRYSA-N	246.350	4.683	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc2c(c1)CCC2	2328305751	BTNFAUPXXUPMAJ-ZDUSSCGKSA-N	244.378	4.574	0	10	BJAE	
CCCCCC[C@@H]1CC[C@H](CCCCC)N1	13437541	YDPNIEQSKNIPHC-LSDHHAIUSA-N	225.420	4.658	0	10	BJAE	biogenic
CC[C@H](C)[C@H](C)Nc1ccc(C(F)(F)F)cc1	21507497	PGCMZVZJQWNCIM-UWVGGRQHSA-N	245.288	4.552	0	10	BJAE	
CCc1cccc(N[C@@H](CC)c2cccs2)c1	21818361	TZZRSUUVSWILPM-AWEZNQCLSA-N	245.391	4.874	0	10	BJAE	
CCCC(=O)c1ccc(-c2cccc(F)c2)s1	36927409	GNMRZTTVTNZGOR-UHFFFAOYSA-N	248.322	4.537	0	10	BJAE	
Cc1ccc(C(=O)CCC2CCCCC2)c(C)c1	37355248	WUWXZTPDROSMSX-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
c1ccc2cc(SC3CCCC3)ccc2c1	37625624	BUSFPMJUTYLAGJ-UHFFFAOYSA-N	228.360	4.875	0	10	BJAE	
CCCCCCc1cc(C)c2ccccc2n1	40368711	AVQOQWIDKGOSAM-UHFFFAOYSA-N	227.351	4.666	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)c2ccsc2)c1	50338216	LJVZFIKZZHLXCI-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
CC1(C)C=C[C@@]23CCC[C@@](C)(CC[C@@H]12)C3	60272415	MKZIRHIVARSBHI-AEGPPILISA-N	204.357	4.559	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCCC1	70305891	ZOXJDKDFAQXUTQ-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CCCCCC(=O)c1ccc(F)c2ccccc12	70372650	XMVDALAQFRCKLH-UHFFFAOYSA-N	244.309	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC(C)(C)CC(C)(C)C	70978226	VAUHNBPVKJVIDM-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)C1CCCCCC1	87947024	ICJWTRZRBJZADM-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@]1(C(=O)O)CCC[C@@H](CC)C1	87975669	FAPZDMDYIVPMOM-UKRRQHHQSA-N	240.387	4.628	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)C2CCCCC2)c1	91510556	RDJHPQDMZKKNKN-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CC/C(=C\[C@@H]1CCC[C@H](C)C1)CNC(C)(C)C	92726470	VFDLSAZQCXUAIE-CVXIQOAESA-N	237.431	4.537	0	10	BJAE	
CCC(CC)[C@H](CNC(C)C)c1ccc(C)cc1	94675619	XBGSQOJFCDEQAJ-KRWDZBQOSA-N	247.426	4.513	0	10	BJAE	
CC[C@H](C)c1ccc(/C=C/CCC(C)=O)cc1	98125214	BYSARUAJXCCJNM-CFNZNRNTSA-N	230.351	4.583	0	10	BJAE	
CC[C@@H](CCCN)c1cc(C(C)(C)C)ccc1C	107599573	RHKNRPWZNVIICI-AWEZNQCLSA-N	247.426	4.525	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1ccccc1C	109719260	RJAPSPCKFNMUTK-GOEBONIOSA-N	233.399	4.601	0	10	BJAE	
CCCc1ccc([C@@H](O)CC2CCCCC2)cc1	109788333	QLDQCGOSVKXAAG-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CCCCC[C@@H](N)c1cc(C)c(C)cc1Cl	122208807	CNBAYPWBAVEDNG-CQSZACIVSA-N	239.790	4.537	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H](C)CC)NCC	126298281	VIDMQALLQVTUOU-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)CC1(O)CCC2(CCCC2)CC1	130026322	MULIBRHCCXSRTO-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC1([C@H](N)c2ccccc2C2CCC2)CCCC1	132547797	HKLWOMUYVSFMMZ-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)[C@@H](C)CNC1CC1	133150128	QUGXNCULNGBWNB-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(C2(C)CCCCC2)c1	137786423	HHVIBXCRWYZRLS-UHFFFAOYSA-N	202.341	4.525	0	10	BJAE	
CCC(CC)C[C@@H](CNC(C)(C)C)CC(C)C	149018860	ZVIQYHIPSFJALC-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)[C@H]1CCCC[C@H]1CNC(C)(C)C	155682334	MQZDHKWTMFGDIP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CCC1CCCCC1)NCC	159664989	XZWMHLKOHBKYGP-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCC(CC)[C@@H](O)c1c(C)ccc2ccccc12	160964556	MAXXUHNEOXQMAX-QGZVFWFLSA-N	242.362	4.618	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCCC(C)C)CC1	165689099	WJOOZYDVACYDTB-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1ccc(C)cc1C	165791759	GAAOELHPYSNKLB-ZBFHGGJFSA-N	244.378	4.703	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C1CCC(C)CC1	165832690	CLBQTSIFUBADRY-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCCc1ccc([C@H](C[C@H](C)CC)NC)cc1	167243137	IMVNRRFFTAKCRM-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H]2CCC[C@@H]2C)c1C	226523920	NJQMFPACGMJDOW-BONVTDFDSA-N	244.378	4.539	0	10	BJAE	
CCCN[C@H](c1ccsc1C)[C@@H](C)CCC	227895827	DISYBASHWKJMMB-FZMZJTMJSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C[C@@H](C)CC(C)(C)C	229271354	WPEUOIXKLILICF-BFHYXJOUSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@H]2CCC[C@@H](C)C2)CC1	251883310	VJMRCZKNWVEUOC-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC(C)SCc1cc2ccc(F)cc2s1	258039012	NKJSPDWLCWUWAK-UHFFFAOYSA-N	240.368	4.682	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@H]1CCC[C@H]1C	300286046	MBCUPBIDYSHURW-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)CCC(C)C	304417387	QOPLGEXXZUQZIG-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
Cc1ccc(O[C@H]2/C=C/CCCCC2)c(C)c1	305989152	LWXKGLMSQXIYRZ-VFADXPBXSA-N	230.351	4.571	0	10	BJAE	
CC[C@@H](CC(C)C)c1nc2c(C)cc(C)cc2[nH]1	308053206	IENAKDOQJHKSSS-ZDUSSCGKSA-N	244.382	4.719	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)c1c(C)cc(C)cc1C	308081689	RBSRIBFSONZEKC-NVXWUHKLSA-N	247.426	4.684	0	10	BJAE	
C[C@H]1C[C@@H](NCC(C)(C)C2=CCCC2)CC[C@H]1C	308751741	ANRAYXCSAMYRNB-YCPHGPKFSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CNC1(C)CCCCC1)C1CCCCC1	310209398	CFIRJGDZKBTSKB-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCc1cccc(C(=O)C(C)(C)C(C)(C)C)c1	310476262	KIMFXCZRYNRMBT-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CC(C)c1ccccc1[C@]1(N)CCC[C@@H](C)CC1	311238056	UZMDTIYGQVKSRW-PBHICJAKSA-N	245.410	4.564	0	10	BJAE	
CCCC[C@]1(CNC(C)(C)C)CCC[C@H](C)C1	318015008	XCBPQXDLNQNLEN-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C(C)(C)C1CCC1	322363887	IDSSKWZGFVFTAZ-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)C1CCCC1	381163771	AFAMCDBMLPLAFG-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
C/C=C\CCN[C@H](C)c1cc2ccccc2s1	382796601	KDPLZMPRVIICIG-VSQXVHSFSA-N	245.391	4.518	0	10	BJAE	
CCC[C@@H](C)[C@H](CCCCCC(C)C)NC	383211977	CIXMXYWCEZQPBU-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)c1cccs1	384843026	JIBYMFGXHILTJN-CQSZACIVSA-N	249.423	4.679	0	10	BJAE	
CC(C)(C)C(=O)CCCCC1=CCCCC1	384921448	GOKXFDQUTIOJHO-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2CCCC[C@H]2C)n1	385038216	QUCHHDGPTQJKTM-TUAOUCFPSA-N	237.412	4.950	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2CCCC[C@@H]2C)CC1	385091773	YDMUHDLTVFTVPS-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H](C)c2ccccc2)C1	385236928	UUVPDBLZLWOULA-IIAWOOMASA-N	244.378	4.576	0	10	BJAE	
CC[C@@](O)(C[C@@H](C)c1ccccc1)C1CCCC1	387565111	ZGXVAYPFRINLRL-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
CCCC1(NC[C@H]2CCC[C@@H](C)C2)CCCC1	394422047	DMUBOAQXCRJPFL-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCCC12CCC2	394775988	DTTVHWZLSWOQLA-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCCC12CCC2	394777010	ORRDAVLPMMDJHX-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H](CC1CC1)NCCCC1CCCCC1	395264603	LGBJHRSDKBJBPL-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@](O)(CC)C(C)(C)C	395383806	FCTUGDASKZMWOD-UKRRQHHQSA-N	228.420	4.780	0	10	BJAE	
CCc1ccc2scc(S)c2c1C(F)F	396250106	SDNOOFCSNJXUQV-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
Cc1ccc2c(S)c(C(F)(F)F)sc2c1	396304204	NDJCAAHSWLVIOI-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC(C)=CCCN[C@H]1CCCC[C@H]1C(C)(C)C	397743357	LXLXTJHYOGEROC-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C1(C)CCCC1	405726703	KEPKGTFFNBRIHO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(CC[C@H](O)CC1CCCCC1)C1CC1	406051003	HERBCWWYINHMFR-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCCC(C)(C)CC	686312741	WSKAEYADDHPUHV-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCC12CCCC2	694472112	GEQSFPJLZCMTSK-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCC1CCC(C(=O)CCC(C)(C)CC)CC1	696548194	ZUBIHHILWWDGEV-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1ccc(Cl)s1	696561401	PFYQBKBSACFTBX-SECBINFHSA-N	246.803	4.651	0	10	BJAE	
CCN[C@@H]([C@H]1CC[C@H](CC)CC1)C(C)(C)CC	701141416	YKLNDCLMGPMLRN-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](C2(N)CCC(C3CCC3)CC2)C1	704464461	GAQOLQCSPNXNKD-PXZKZTPFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@]1(C)C[C@H]1C	707772147	WDEIKRGONZPODR-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
C[C@@H](CC(=O)C1C(C)(C)C1(C)C)CC(C)(C)C	709107873	ZHYWIORQPSOBQX-NSHDSACASA-N	238.415	4.700	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)CCCC(C)(C)C1	709146125	QLTQFPDDWDPUDJ-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC[C@](N)(C[C@H](C)CC(C)(C)C)[C@@H]1CC1(C)C	709162921	ISWADCFWHAEBQK-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@H](C)NCC1CCC2(CC1)CC2	709973095	WETQGBYAYHHEGW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CCC[C@@H](N)c1ccccc1)C(C)(C)C	711221063	ZXGQAEBPRCWLOS-DZGCQCFKSA-N	233.399	4.539	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@H]3CCCC[C@H]32)c1Cl	712390902	QFPIZTCJBZTERO-YRGRVCCFSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@]1(CC(C)(C)C(C)C)CCCCCN1	713268322	OZRBNALWDMDYCB-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C1CCC(CCN[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1	714323714	VRHNJRXXNGFXKE-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC/C(=C\[C@]1(C)C[C@@H]1C)C1CCCCC1	714593329	DLNAVHIDVFQTBC-BQVPINLBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)CC1CCCC1	718534323	UCLGXPCDMMKYPJ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@@]1(CNC(C)C)CCC=CCCC1	719078963	RMVORIAICXSJEB-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC(C)C)[C@H]1CCCCCC1(C)C	719216660	KKTRLKPHCCKJRI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N[C@@H](CC)CC1CCCCC1	720952577	COUMNSRUVZNTBC-HNNXBMFYSA-N	225.420	4.514	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H]1C=CCCC1	1643229317	TYHJNMZPSWEBMI-OAHLLOKOSA-N	235.415	4.530	0	10	BJAE	
CCC[C@H](NC[C@H]1CCC12CCC2)C1CCCC1	1875450271	AGKDVSUGMXABCB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(-c2ccc(F)cc2Cl)cs1	1889510088	PBYJMOUBVDKSSN-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
CC[C@@H](C(=O)CC1CCCCCC1)C(C)C	1901058826	PMORIIVOHZPFNR-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cccc(Cl)c1	1905293356	NHILTPQWSLFUSG-LLVKDONJSA-N	238.758	4.739	0	10	BJAE	
CNCC1(CC2CCCCC2)CC2(CCCC2)C1	1912568051	OAEBXNATYAYVPB-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)CC1(CNC2CC3(CCCCC3)C2)CC1	1912696073	IRLJZOCQWQOITP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](O)(CC)CCC(C)(C)CC	1919508463	CKLNNBXXCUVGLA-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)C1CC(CC)C1	1921206921	LHJSCNPZBURSMH-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@H](N[C@@H]1CCCC12CCC2)C1CC1	1921502459	MHZFAEFLTKJFJT-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CC[C@]1(CNC(C)C)CCCC12CCC2	1921593352	VMIXQPZVBSJYEP-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C[C@](C)(CO)C1CCCCC1)C(C)(C)C	1923885817	CPCYTBCFSDKTNP-XJKSGUPXSA-N	240.431	4.638	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)[C@@H](C)C1CCCCC1	1924123695	FANYKYUHHXJJIK-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CC1CC(C)C1)C1=CCCCCCC1	1925118931	DSUOXKDRNOQQND-DQPZFDDXSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)CC1CC(C)C1	1925150062	XOCPJOHTDGKERT-BCLQGDPASA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@](C)(CC)C[C@H]1C=CCCCC1	1925797370	DPFBHPXTSJLALJ-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@H]1C=CCCCC1	1925946462	UACFVOMVYUUOKT-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)C[C@@H]1C=CCCCC1	1925949481	RQYFBIFDUQKZRW-BZUAXINKSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)CNC1(CCC)CCC1	1937792352	DMUYQTCIYQNVSB-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCc1ccsc1C(=O)[C@@H](C)CC(C)(C)C	1938201150	HJHDSUZNFCSJNT-JTQLQIEISA-N	238.396	4.566	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)[C@H](C)CC(C)C	1939046351	JRINYTKZUMTDCB-HIFRSBDPSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H](CC)C(C)C	1941271892	GLOWNHRFSSJDNX-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc(C2(C)CC2)c1	1944600004	KTBLXQZXZWPTMD-CQSZACIVSA-N	231.383	4.729	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CC[C@@H](F)C1)CC(C)(C)C	1945193788	HGAKLXIYZQFYOB-FRRDWIJNSA-N	242.378	4.546	0	10	BJAE	
C[C@@H](Nc1ccccc1)c1ccc(Cl)cc1F	1946536561	HJLVEDPMOTYTIN-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2C=CCC2)cc1	1947559135	PDBBLNHHXRDLEU-UONOGXRCSA-N	230.351	4.545	0	10	BJAE	
CCCC1CCC(C(=O)C2CC(C)(C)C2)CC1	1948270582	UVYDVIXJVCFPRV-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)CC1(C)CCCCC1	1948327347	OVOYOWRZWDHAMJ-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H](C)[C@@H](C)CC(C)C	1948330916	CJRDYNLYQRJRRD-HRCADAONSA-N	241.463	4.862	0	10	BJAE	
CCCC[C@H](CC)CNCC1CC(C)(CC)C1	1948406233	XPSXVEPDOCXPED-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCC1(C)CC(CCCC(C)(C)C)(CNC)C1	1948409571	RNCBMOGYQSKHIW-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@](C)(N)c1ccccc1C(C)C	1948934525	CQLVQUKOKAHXFX-INIZCTEOSA-N	233.399	4.564	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC(C)C)CCC[C@@H](C)CC1	1950923423	GQOVWRDPXCSIKL-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@@H](CC)c1cc(C)cc(C)c1OC	1951309052	TXKVZFOVVCIOPT-CQSZACIVSA-N	232.367	4.772	0	10	BJAE	
CCCCCCNCc1ccccc1C1CCC1	1965863513	ZJFWLDIDDJVBFN-UHFFFAOYSA-N	245.410	4.624	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1)C1CCCCC1	1968252083	MRSCFEDRWDEOGN-INIZCTEOSA-N	231.383	4.766	0	10	BJAE	
CCCN(CCC1CCCCC1)C1CCCC1	1968779648	SSIUULBEECSVSN-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC(C)CC1(CNC2CC3(CCC3)C2)CCCC1	1971025455	GMZLMXWOYLPQJI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)CCC(=O)c1cccc(Cl)c1	1980686081	ZHNFLZCRNASLML-LLVKDONJSA-N	238.758	4.739	0	10	BJAE	
CC=CCCC[C@H](O)[C@H](CCC)CC(C)C	1984604208	VLYFZIUZERMUSB-CABCVRRESA-N	226.404	4.556	0	10	BJAE	
CCC/C=C/CNC[C@H]1CCC[C@@H](CC)CC1	1997215834	RBWIVUCAIGUEKE-ZWOPJXCPSA-N	237.431	4.539	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H](C)CC1=CCCCC1	1998379900	JFZCNJDXGCGJAL-LSDHHAIUSA-N	237.431	4.680	0	10	BJAE	
C=CC=CCC[C@@H](NCC)c1sc(C)cc1C	2000377244	UZNOILBAPBLDJP-CQSZACIVSA-N	249.423	4.538	0	10	BJAE	
CCC[C@@H](C)CNC1CC2(CCCCCC2)C1	2000712681	KXEPOOXYLLQKLZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC(=O)[C@H]1CCCCC12CCCCC2	2001562681	ZUNDYADFYVCTHR-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@@]1(C)CC=CCC1	2001659953	RNZRMDDDKFJIMB-PMPSAXMXSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H]1CCC2(CC2)C1	2003210071	AUFPOVLQCDONKJ-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@H](C)C(C)(C)C)cc1	2003648455	XYXDTIAMOPMJQO-CYBMUJFWSA-N	232.367	4.640	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC=C(C)C)NCCC	2004228924	DPDWMRXGDBRBIY-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CCC1(C)CCC(O)(CCC2CCCC2)CC1	2004338403	DCWWQZFWIUPCNP-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CC=C[C@](N)(CCCCCC(C)C)C1	2006608623	NCNYNKRMVAQFLE-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](CC2CCC(C)CC2)C1	2006672808	GTRHGKQLMSTTQS-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1CC(C[C@@H]2CCCCCCC2=O)C1	2007769164	KXFCFOPQASZDGL-SLTAFYQDSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)C[C@H](CC1CCCCC1)NCCC	2007860250	QVWZLSCJCUAZSO-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CCC(C)(C)CC)[C@H]1CC	2009248837	LKKLBYORKPMHHO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CCC2CCCCC2)CC1	2009411957	UMXXFUJITHBXRI-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@@H](CC1=CCCCC1)NCC	2009594107	DVJNYVUTPYYYJE-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CCCC1CC(Nc2cccc(SCC)c2)C1	2009713707	FBJOPWUWWJPCDW-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
C=C=CCC[C@@H](C[C@H](CC)C(C)(C)C)NCC	2010985054	KTHDPDZUBSJEHK-GJZGRUSLSA-N	237.431	4.548	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](CCCCCC2CC2)N1	2013531256	QUHZXPAFKOGZPF-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CCc1ccc(-c2nc(C(C)C)cs2)c(F)c1	2015035905	NXGXUZWQKFIARV-UHFFFAOYSA-N	249.354	4.635	0	10	BJAE	
CC(C)C(CC[C@@H]1CC(=O)C[C@H](C)C1)C(C)C	2015390201	ITZCSLPMGLUOGW-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(CC[C@H](N)CC1CCCC1)C(C)C	2015402565	VIMDWSDKJZCPLN-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@H](C)c2ccc(N)cc2)CCC1	2015641729	IJUOSVUMKXXLIM-CYBMUJFWSA-N	231.383	4.733	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCC[C@@H]1C(C)C	2016146614	YGRSYFIGOCRGSA-ARFHVFGLSA-N	237.431	4.536	0	10	BJAE	
CC1(CC[C@@H](O)CC2(C(C)(C)C)CCC2)CC1	2017113701	CXJUCVSLTWLVRR-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC1(C(C)C)CCC1	2017141355	OLKYUDBGFARRKL-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(O)CCC(C)C)CC1	2017652326	FOQCEQNTXXQAOJ-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](N)[C@H]1CC[C@H](CCC)CC1	2017662952	MNIXNFBXZUHCFZ-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CC[C@@H](C)C2)CC1	2017727897	FOGJRXOCIFASKX-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](N)(CC)C2CC2)CC1	2017729393	WJDRIWWMRNATMP-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CC[C@H](C)CC1)C1CCCC1	2017774816	TVSNLPPQVIEZPO-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CC[C@H](C)CC1)C1CCCC1	2017774817	TVSNLPPQVIEZPO-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1C=CCCCCC1	2018079990	CEVCROFJFYBJAI-CVEARBPZSA-N	237.431	4.824	0	10	BJAE	
CCCCC[C@@](O)(CC)[C@@H]1CCCC(C)(C)C1	2018135234	WRZQKYVIVKPHLQ-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CC(C)=C[C@H](C)C2)CC1	2018956541	LTNRZZVMXVCNQN-JSGCOSHPSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](C)CCC1CC1	2019184183	DGXSHVQCYVNVOF-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCCN(C)CC1CC(C)(C)C1	2019339904	HLIGRGAAYBTZID-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC(C)CN(C[C@H](C)CC(C)(C)C)C1CCC1	2020641699	FLQXEYZIPGIQNP-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CCC1CCC(C[C@@H]2CCC[C@H](C)C2=O)CC1	2024002778	BPFQJKCESQBIGX-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@](C)(N)CC2CCC2)C1	2024095199	PVTNCROWTVGXDK-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@H]1CC(C)(C)CC	2024122849	JYYVRZMCESDWKA-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(c2nc(C3CCC3)cs2)C[C@H](C)C1	2026545309	WYJRIYJWGCJIQB-GHMZBOCLSA-N	249.423	4.950	0	10	BJAE	
c1sc(C(C2CC2)C2CC2)nc1C1CCCC1	2026602763	JNMIFJJJPRTCKV-UHFFFAOYSA-N	247.407	4.704	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)CCC2(C)CC2)c1C	2027731978	JIJSGKNTIQGDIG-OAHLLOKOSA-N	245.410	4.500	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1ccc(C(C)C)cc1	2028236059	VZVMAYDIQZYUOB-DLBZAZTESA-N	248.410	4.916	0	10	BJAE	
C(CCC1CC1)CCC1(CNC2CC2)CCCC1	2028647541	URVHPJDRLIGQLL-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H]1Nc2ccccc2C[C@@H]1C	2029837158	NHCZMSPKKUHJRZ-ZQIUZPCESA-N	245.410	4.732	0	10	BJAE	
CC(C)(CNc1ccccc1F)C1CCCCC1	2034028313	QDOPSPFPFUVIAO-UHFFFAOYSA-N	249.373	4.844	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@H]1C=CCCCC1	2037273375	RDYKDEJYVQREPB-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@@H]1C=CCCC1	2037306818	YDBIUTYYWMVCSC-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@@H]([C@]2(N)CC(C)(C)CC3(CC3)C2)C1	2037588074	UUFSNEYHIJCUKI-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CC1(CCNC[C@H]2CC23CCCC3)CCCCC1	2039091062	GWVLRAVLFIANIG-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNC1CCCCCCC1	2039454196	YUVCKAWOTSZJQE-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@@](N)(C[C@@H]1C=CCC1)C1CCC(C)(C)CC1	2040650278	IAPNJKGQJNNJIQ-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)c2ccc(C)cc2)CC1	2041383067	LFVUTLGTNBVMSP-VYDXJSESSA-N	246.394	4.635	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)C[C@H]2C=CCCCC2)CC1	2041526268	BJGRKZJUYRJVQV-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](NC)c1ccccc1C1CC1	2042292343	HASOBFYMIJWSHM-OGHNNQOOSA-N	245.410	4.507	0	10	BJAE	
CN(CC1(C)CCCCC1)[C@@H]1CCC2(CCC2)C1	2043708480	PDJIVFZVQDUKMW-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1CCCC12CC2	2045308375	UBNUFYJWKJTYJA-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)C[C@@H]1CCC=CCCC1	2045318224	SUDAWISIOZWELC-BRWVUGGUSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1C[C@@H]1c1ccc(C(=O)CCCC2(C)CC2)o1	2045564184	YPAPVKFLSIIXCD-NEPJUHHUSA-N	246.350	4.556	0	10	BJAE	
CC[C@H](NC1CC2(CCCCCC2)C1)[C@@H]1C[C@H]1C	2046231086	BTBJSIIVJMFRHP-BMFZPTHFSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCN([C@@H]2CCC(C)(C)C2)c2ccccc21	2046581084	JVPRWLVUYBQGJL-UONOGXRCSA-N	243.394	4.579	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)C[C@H]1CC12CCCC2	2047008186	MQRUNNIVPOEIJI-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CCCCC2)C1CCC1	2047016912	RVLZXBXTWGUXSV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@H]1CC12CCCC2	2047019806	LHSVZDPGAXJJGY-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(CCCC2CC2)CCC12CCC2	2047956059	KJFCFCBNWLWJKB-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](N)C2=CCCC2)CC1	2049637864	FELVINKQZLFIDP-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
C1CCC(CCCNC[C@@H]2CCCC3(CC3)C2)C1	2049845952	OHUKABUEAWJXNZ-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CN[C@H](C[C@@H](C)CCC(C)C)c1cccc(C)c1	2050465145	QWLYPNGAWKUICB-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CC2CCC=CCC2)[C@@H]1C	2055617044	VTIKWWJFVTYDOJ-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC1(CNc2ccc(CF)cc2)CCCCCC1	2055668107	SWHURZMKNMVCHS-UHFFFAOYSA-N	249.373	4.929	0	10	BJAE	
CCC1CC(CC(=O)[C@H](CC)c2ccccc2)C1	2056671925	QRGFCJAOKWGONY-ZBCRRDGASA-N	244.378	4.576	0	10	BJAE	
CC1([C@@](C)(N)C2CC(C3CCC3)C2)CCCCC1	2057496257	VSRLTZQNYZRKAL-DQPZFDDXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CCC(=O)C1(C2CC2)CCCC1)C1CC1	2057606369	MBLJQKAJFJSXNN-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@H]1CCCC12CCC2	2059178189	QAHGPUMRVDHFKM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCCC3(CC3)C2)C1	2059397428	KIQFENBCZMVVAF-HWOWSKLDSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@]1(CC2CC(C3CCC3)C2)CCCN1	2059466696	KJDCPYPUWWZKAZ-PREGVCBESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)C1=CCC(C)(C)CC1	2061112886	JXKLKRFSUJMAPM-DYVFJYSZSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CCC1CC1)CC[C@]12CCC[C@@H]1C2	2061570731	FNKMOAKJTKXORI-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CC[C@]23CCC[C@H]2C3)C1	2061619152	ZCJFZWWUYRKJDW-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CC2CC(=C3CCC3)C2)C1	2061696381	OXBMSDIXKZKWSV-LRDDRELGSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H]1C[C@@H](C2CCCCC2)CC2(CCC2)C1	2063637957	OQTRFOXKOKZCLJ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C)C1(CC23CCC(CC2)CC3)CC1	2065338634	UFWMMDGVUOHCNS-FHERZECASA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CC1(N)CCC2(CCCCCC2)CC1	2065896136	CNQWXQKIIJBXMM-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2ccc(C3CCC3)cc2)N1	2066376375	SYCGNZXSSZDOQC-SJORKVTESA-N	243.394	4.547	0	10	BJAE	
CC(C)(C)CC1CC(N)(C[C@@H]2C=CCCCC2)C1	2067987024	QNDNXEUUASGVMQ-HPUBIQBYSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)[C@H]1CCC2(CCCC2)C1	2068268524	WEOXETGXQPVBMQ-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(N)(CC2C[C@@H]3CC[C@H]3C2)C1	2068773788	XCZAXWMULPVJNL-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@](O)(CC)c2ccc(C)cc2)CCC1	2069285293	QFBABIHLMWGUDE-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CCCC1(C[C@@H](CC2=CCCCC2)NC)CCC1	2069345015	QESAEBAWMFMBHN-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCCC1(C[C@@H]2CC[C@H]3CCCN[C@H]3C2)CCC1	2069345474	VGQPJBBNWJNBGU-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2CCC3CC2C3)cc1	2069347687	NNYIGRUJHLRUHE-ZHOLYQSMSA-N	243.394	4.801	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2CC[C@H]3C[C@@H]2C3)CC1	2069355137	ZBJAOWMYSVDCON-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CC[C@@H]2C2CCC2)CC1	2071784416	AEQVQOHJSOKEQT-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)C2(CC3CC3)CC2)CCC1	2071952551	DRWGSUFFLSTJND-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)C[C@]23CCC[C@@H]2C3)CC1	2072874643	DRSVDJGJQYNAIQ-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@]12CCCC[C@H]1C2	2074028572	ICAKFYFAXVUFIM-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@@]23CCCC[C@@H]2C3)CC1	2074029649	OSRZTXHFSKMWAC-LXJVZLBISA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CCC3=C(CCCC3)C2)C1	2074896983	SLCWUJTWZMDVRW-YOEHRIQHSA-N	247.426	4.532	0	10	BJAE	
CCCCN(C[C@@H]1CC=CCC1)c1ccccc1	2075169096	YMYPTCLDNUBVTO-MRXNPFEDSA-N	243.394	4.649	0	10	BJAE	
CC1=C(C)CN(C2CCC(C(C)(C)C)CC2)CC1	2075227134	HMNJRYJTEKNEBM-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCCN(C1CCCCC1)[C@H]1C=CCCCCC1	2076583854	FYWHFVQRCBYLQE-INIZCTEOSA-N	249.442	4.920	0	10	BJAE	
CC[C@@H]1C[C@H]1C=C(CNC(C)C)C1CCCCC1	2079265493	QVMIGNYAKZGFEA-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2079863656	KHMQOHHXCJCFSC-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CC=CCCCc1ccc(CC(C)C)cc1	2210479140	ABOYHGDTHAVRLX-UHFFFAOYSA-N	216.368	4.784	0	10	BJAE	
C[C@@H](C[C@H](O)CCCCCCC1CC1)C1CC1	2213574142	PTYJFJCLJXSRTM-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@H]1CCCCCCCCC1=O	2215116361	KHWKKEXVXWMJOA-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC[C@H]1C[C@@H]1CC	2215246024	INYNKNGJYUAQCJ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)CCCC(C)(C)CC1	2215251494	LYBWZUZGPYZFGL-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC[C@@H]1C[C@H]1CC	2215362418	AJXUQQRQGHDSDO-OAGGEKHMSA-N	239.447	4.713	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)C[C@H](C)C(C)(C)C)CC1	2215818665	WXACTUZILGVCOE-DZKIICNBSA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1CC[C@H](NCCCCCCCC2CC2)C1	2216871486	LIFOONFORJVXJK-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](N[C@H]2CCC3(CCC3)C2)C1	2218039855	OCYUNYVCCBZCGD-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@]1(N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218356326	LVIWAXLZCOOZMM-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
O[C@@H](CCCCCCC1CC1)C1CC(=C2CC2)C1	2218717584	FRXVRCWISQYERK-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC[C@H]1C	2220517437	BHQOVZPMTNUXSP-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2CCCC[C@@H]2C(C)(C)C)CC1	2221663707	UBQINMXWAHOORE-HRCADAONSA-N	249.442	4.680	0	10	BJAE	
NC[C@H]1CCCC(=CCCCCCCC2CC2)C1	2223130429	MRCAEUMOZSCUBD-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
CC[C@H](C)NC[C@H](c1ccc(C)cc1)[C@H](C)CC	2223549438	JDMBNGSFJJUHIR-VYDXJSESSA-N	247.426	4.513	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1ccc2occc2c1	2224126788	BJIUUKFFOSHXOM-BLLLJJGKSA-N	246.350	4.683	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@H]1CCC[C@H]1C)N2	2224128407	UMWQDDQKVVFTJG-IIAWOOMASA-N	243.394	4.548	0	10	BJAE	
CCCC[C@H](O)CCC[C@H]1CCCCC12CC2	2246627805	UBZNEIHUKBAGEG-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)[C@H](N)CC[C@@H]1CCCCC12CC2	2246633398	ZVDYBKCAYBLKBE-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
Cc1sc(-c2ccc(N)c(C)c2C)c(C)c1C	2246803812	NIEKBZFXDKZYKI-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCC(CC)C[C@H](O)CCCCC[C@H]1C[C@@H]1C	2248838543	IAMKZROVMVPTNJ-CWRNSKLLSA-N	240.431	4.780	0	10	BJAE	
C=C=CCCc1cccc(-c2ccccc2)c1	2249017803	OSKDXEXBHFSDPY-UHFFFAOYSA-N	220.315	4.627	0	10	BJAE	
CN[C@@H](CC[C@H](C)CCCC(C)C)CC(C)C	2250488019	IDUYBVDWOKJMPG-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
C/C=C/CCCc1ccc2c(c1)CC(C)(C)C2	2251692794	WQWVNXKFQYEWLF-SNAWJCMRSA-N	228.379	4.710	0	10	BJAE	
CC1(C)CC[C@H](CCCCCCC2CC2)[C@@H]1O	2251708544	RQXDWFWURODFOZ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](O)CCC2CC(C)C2)CCC1	2251760770	HRSAFEPTFCRDSL-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1ccc2ccsc2c1	2253068456	SXLVGFJOFGDRIR-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
C[C@@H](C(=O)CC1CC2(CCCC2)C1)C1CCCC1	2254121630	UMYOUVTYCUVNNA-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCCC12CC2)C1CCCC1	2255231694	CAKRDSLLGCBIIW-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@@H](CC[C@H]2CCCC23CC3)NC)CCC1	2255279666	BEHAIFWCDVUTLL-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCCNCC[C@H]2CCCC23CC3)C1	2255329889	JWQWTTBPQXEQKT-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cccc(CC(C)C)c1	2259443761	MYCRASIMYUXGHX-DOTOQJQBSA-N	248.410	4.745	0	10	BJAE	
CC(C)C1(CC(=O)[C@]23CCCC[C@H]2CC3)CCC1	2260521470	QNZCIEBZLUYKNQ-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@]23CCC[C@H]2CC3)CC1	2260612884	QPJUIEQJVRDDMN-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]23CCCC[C@@H]2CC3)[C@@H]1N	2260615773	ZJITZHLTBIPBQE-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(OC[C@@]23CCCC[C@@H]2CC3)cc1C	2260646586	MLTZFIYGARVENJ-WBVHZDCISA-N	244.378	4.653	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@@]23CCC[C@H]2CC3)CC1	2260667165	BXVJXEUEAAAIBH-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(C(=O)CCC2CC(C)C2)cc1	2261509331	NQYMLVIQNKZHLR-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCNc1ccc(C=C2C=Cc3ccccc32)cc1	2297466695	HKPXXJPIYVIOTM-UHFFFAOYSA-N	247.341	4.686	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H](C(C)(C)C)CCN1	2300702863	ZSKUYJVUYXBHEU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCNCC1(CC=C(C)CC)CCCCC1	2300870708	XLDPZJUAFANJIU-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC(=CCCc1cccnc1)CCCC(C)C	2300932245	RCXAGPFMASSDNX-UHFFFAOYSA-N	231.383	4.787	0	10	BJAE	
CCCC[C@@H](O)CC[C@@H]1C[C@H]2CCC[C@H]1CC2	2301133650	OEHDGGHQZWBZMZ-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)NCCCCCCC1=CCCCC1	2302359700	TYCJBERDQLINHO-UHFFFAOYSA-N	237.431	4.825	0	10	BJAE	
CC(C)NCCC(C)(C)C[C@H]1CCC(C)(C)C1	2302900826	WDORDPUMZZYFJG-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCCC[C@@H]3C[C@H]32)c1	2302994773	VOJAYTXVCLORRM-YRGRVCCFSA-N	249.785	4.639	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](O)CCC(C)(C)C)CC1	2303595969	ZOMCXYIGZFMITN-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CC[C@@H]1CCC(C)(C)C1	2304352175	PAGRMJIYNPLARQ-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](c1nc(C2CC3(CC3)C2)cs1)C(C)C	2304393334	FVCRSCUFCNSNMS-LBPRGKRZSA-N	249.423	4.950	0	10	BJAE	
CCC[C@H](CC)CC1(CNCC(C)C)CCC1	2307762517	CAAUFMPPWYHALU-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CNC1CC1)CC(C)C	2307831330	JOIJAIROKZCWES-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN)CCC=CCCC1	2307834065	GXNVHWRRYYYCKX-HOTGVXAUSA-N	237.431	4.668	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC1CCCCC1)NC	2307903194	OBBIZLJJCNQNPL-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309184964	OXHIJYWSOCLHJH-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](N)(CC1CC1)C[C@@H]1C[C@H]1C1CCCCC1	2311607603	VUBLSMDDBLGODF-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](C[C@@]23CCC[C@@H]2CC3)NC)CCC1	2313330470	KRKQXKMDJMFPHM-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1([C@@H](C)CC2CCC2)CC=CCC1	2313597604	BUCUGIWRAJYUOG-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1cc(C(C)C)ccc1C	2315875365	WUYSVUJJKBUDLW-HOCLYGCPSA-N	245.410	4.967	0	10	BJAE	
Cc1cc(O)cc(C)c1N[C@@H](C)CCCC(C)C	2315956563	OKSJLKFLZWDCQO-AWEZNQCLSA-N	249.398	4.636	0	10	BJAE	
CC(=CCN[C@@H]1CCC[C@@H]2C[C@@H]21)CCCC(C)C	2316487866	FWVAKEUXWKUBDM-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CCN1CCCC12CCC(C)(C)CC2	2316512380	CYVGPANUHRAVJU-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC1(CCC[C@@H](N)[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316694551	STYGCVQUFGNDSG-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@@H](C)[C@@H](C)C(C)C)c(C)c1	2317828638	SZQGRZFTTDSIPE-YQQAZPJKSA-N	248.410	4.573	0	10	BJAE	
C[C@H]1C[C@@H]([C@H](N)CCC2=CCCCC2)CC[C@H]1C	2317908645	BBYWHFBVMQNUHI-YQFWSFKMSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C[C@H]1CC=CCC1	2317973974	GKKHFIYNGOVPTQ-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
C[C@@H](NCCCC1=CCCCC1)C1CC(C)(C)C1	2318531506	LSAAXHUUASPOPI-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCC1=CCCCC1	2318596863	DVNJJZXJZFABEL-ACHSLPGTSA-N	247.426	4.530	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCCC[C@@H]2C[C@@H]21	2319261362	NSULCIWJDSXURH-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC(C)=C(C)C1)C1CCC1	2320329757	VCAZPUAVWMKMAT-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)[C@H]2CCC(C)(C)C2)CC1	2320340782	OQJFSGCLABKDDH-HRCADAONSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(O)C=CCC(C)(C)C2)CC1	2320341674	WSVBPKNHYVQLHA-RDJZCZTQSA-N	248.410	4.620	0	10	BJAE	
CC1=C(C)C[C@@H](CC[C@H](N)C2CCCCC2)CC1	2320411376	JGSZYLCQLSLKCY-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CC[C@H]2CCC(C)(C)C2)C1	2321610524	IEPYHWMCFCWAQM-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](CCC)c1cc(C)ccc1C(C)C	2327675136	IEGWNVOCOCYDMZ-KRWDZBQOSA-N	247.426	4.959	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)CC[C@@H]2C[C@H]2C)c1	2327787351	UWQVCROQAXNXQG-CPUCHLNUSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)Cc1ccc(C)cc1	2328214565	YAOTZWNBXJCQIT-NVXWUHKLSA-N	248.410	4.505	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCC[C@@H](C)C1	21819573	WBADSQGZHNFAAF-ZYHUDNBSSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)c1ccc(CC)cc1	35494987	BHORNNRUYCZKAI-NVXWUHKLSA-N	247.426	4.726	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)c1ccc(CC)cc1	36792259	GDJHOWZFMGHLAL-GJZGRUSLSA-N	247.426	4.868	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCCC[C@@H]1CC	37031841	SBTPZKXQBQETJJ-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](NC1CCCCC1)c1ccccc1	37185982	LAJMIXNGWCXBSR-KRWDZBQOSA-N	245.410	4.840	0	10	BJAE	
CCCCCCC(C)(C)Nc1ccccc1	39165364	GSMZZFFZBFRFSY-UHFFFAOYSA-N	219.372	4.848	0	10	BJAE	
COc1cc2cc(C)sc2c(Cl)c1Cl	39474582	FGERQLVRNINMRY-UHFFFAOYSA-N	247.146	4.525	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)c1cc(C)cc(C)c1	68867169	ZNIPXQUFNNHSJH-DJIMGWMZSA-N	246.394	4.553	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCCC1	70305892	ZOXJDKDFAQXUTQ-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
C[C@H](c1ccccc1)c1cc(Cl)ccc1F	75841633	PTOYPSWPSHQOOD-SNVBAGLBSA-N	234.701	4.631	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCC[C@H](NCC)C1	83824952	RNJDIUWBAJTKPL-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)CCNCCC	87950051	DRGQCTUBILJWCK-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCC1(C)C)c1ccccc1	94279305	NINYDOVNMPYNAO-CVEARBPZSA-N	245.410	4.696	0	10	BJAE	
CCCCCC[C@@H](NCC)c1cc(C)ccc1C	97468417	YKBPPDHOHVYVQS-QGZVFWFLSA-N	247.426	4.924	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)CCC(CC)CC1	109695134	VALTZXMNWGUHDB-HWOWSKLDSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)C[C@H](O)c1cccc(C)c1Cl	124248612	SPBFHNZJFZWQSX-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NC1CCC2(CCCC2)CC1	129209374	CNERFONULSVMKB-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(C)c(-c2cc(Cl)ccc2N)cc1C	132082910	QRLPYGHARBDHAY-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC(C)CCC[C@@H](N)CC1CCCCCC1	133537000	DEJWYIYCADTUJA-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)c2ccc(C(C)(C)C)cc21	136927663	WDSGSJZUXVTKPR-BLLLJJGKSA-N	245.410	4.532	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@H](C)C2CCC2)cc1	137719302	JWJYWXKQFKUQKI-ZIAGYGMSSA-N	245.410	4.649	0	10	BJAE	
CC(C)=CCC[C@H](C)c1ccc(O)cc1C	139157077	SOOQJPLXUPKVIY-LBPRGKRZSA-N	218.340	4.551	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2cccc3ccsc23)C1	163214583	NYLVGUHYDLZQKL-JQWIXIFHSA-N	244.359	4.520	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1ccc2ccccc2c1	163661146	CLUPBHNDOPWIRC-GUYCJALGSA-N	241.378	4.537	0	10	BJAE	
Clc1cccc2nc(-c3ccccc3)ccc12	167709947	NGOYIWKKBXVQBE-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)C1C(C)(C)C1(C)C	203542073	OJUAMDCAYPRDEP-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@]2(O)CCCC[C@@H]2CC)C1	227029559	SVDALEJMJIDFDS-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CC/C(=C/[C@@H](C)c1ccccc1)CNC(C)(C)C	228518597	WELKXXLYAJGEBP-QAALXFNPSA-N	245.410	4.515	0	10	BJAE	
CCC(C)(C)CN[C@@H](CC(C)C)c1ccccc1	232977248	PLFHGWDZKPQVPQ-INIZCTEOSA-N	247.426	4.800	0	10	BJAE	
CCCC1(CN[C@H](C)c2cc(C)ccc2C)CC1	233038322	LOUWELKESKLIJO-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CCCc1ccc([C@H](N)C2(C)CCCCC2)cc1	233366413	IQTUZUVGLIZISS-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)c2c(C)cccc2C)C1	233932396	LJSDXFKESOJJJY-HLLBOEOZSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H]1[C@H](N)[C@@H]2CCCCCCCCCC[C@H]12	251582971	JOAIQQWJTAGQJG-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)c1ccc(C)cc1C	251795341	KCWNXEQIYJVGHP-VBNZEHGJSA-N	247.426	4.779	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@H]2CC2(C)C)cc1	300258386	WBCXHEZJERQEKY-MAZHCROVSA-N	245.410	4.507	0	10	BJAE	
CCC[C@H](C)[C@H]1C[C@H](c2ccccc2)CCC1=O	300466281	NIRYZIDHFRGDJA-NUEKZKHPSA-N	244.378	4.576	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)c1csc(C)c1	300919421	KYSLJRGXQABEOG-BXUZGUMPSA-N	239.428	4.533	0	10	BJAE	
CCCNCC(CC)(CC)CCC1CCCC1	302237236	AZPNVFHFGYLFFE-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCC2CCCC2)CC1	302242643	GFFKUVSDBCNLOH-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@H](C)CCC(C)(C)C)C1	302456834	DHYACXKZLCHDKS-BARDWOONSA-N	239.447	4.616	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)c1F	305966821	JUFCJHMUYVHACV-WCQYABFASA-N	249.373	4.761	0	10	BJAE	
CCc1ccc2c(CC)csc2c1Cl	307255947	ADWIAHVAFGOFGW-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
Cc1cc(Cl)c2sccc2c1C(F)F	307647716	FKMPADWVPGEBTO-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC1(C)CC[C@@H]1Nc1cc(Cl)cc(Cl)c1	308793641	IEBRCYUXEXNALA-NSHDSACASA-N	244.165	4.594	0	10	BJAE	
CCc1ccc(N[C@H]2C=CCCCCC2)cc1	310069134	XYEYCMZKGHUJFO-HNNXBMFYSA-N	229.367	4.550	0	10	BJAE	
CC[C@@H](N[C@@H](C)c1ccc(C)c(C)c1)C1CCC1	324930299	NKGLKWGBMURRQM-WMLDXEAASA-N	245.410	4.533	0	10	BJAE	
CC[C@H](N[C@H](C(C)C)C1CCC1)c1ccccc1	325074450	XALKCXVDORIXQX-DLBZAZTESA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](CCC)NCc1csc(C)c1	380572815	OPOZWKDFACANSX-AWEZNQCLSA-N	239.428	4.505	0	10	BJAE	
CC[C@@H](NCCC1(C)CCCC1)c1ccccc1	381302755	AYPWVSCUTNRHAH-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCCN[C@H]1CC[C@@H](CCCCCC(C)C)C1	383140745	FKUIVNOIBMXQMN-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(F)cc(NCCCCCC(C)C)c1	383150080	OFWAOWZITLOZPY-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1C=CCCCCC1	383235034	UGSPPDFMJDFEKJ-CVEARBPZSA-N	237.431	4.824	0	10	BJAE	
CCC[C@](C)(CNCC)C[C@@H]1CCC[C@H](C)C1	383899577	NLRAMDURJRDKEH-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCC1([C@H](N)C[C@H]2CCC[C@H](C)C2)CCCC1	383981105	ZYKJMLVEPADKDH-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1ccccc1CCC	384502054	PNSZYUGGGUHHEG-RHSMWYFYSA-N	248.410	4.889	0	10	BJAE	
CCCCC[C@@H](C[C@H](C)c1ccccc1)NCC	385229801	UFGORBUOFVGAEI-RDJZCZTQSA-N	247.426	4.739	0	10	BJAE	
CCCCCC[C@H](C)NCC1(CC(C)C)CC1	391838642	UMYZVJRKNOPZCD-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCOc1ccc2c(ccn2C2CCCC2)c1	394403521	AKHDNMWNLRUQHQ-UHFFFAOYSA-N	243.350	4.545	0	10	BJAE	
C[C@H]1CC(Nc2ccsc2Cl)C[C@H](C)C1	395662022	YZTBWLNFFHTASJ-RKDXNWHRSA-N	243.803	4.638	0	10	BJAE	
Cc1cc(C)c2cc(C(F)(F)F)sc2c1	396206077	ZKNRJFNBQLUYEI-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CSc1cc(C(F)F)c2c(C)csc2c1	396403613	IMUMIYKXXQXHGK-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC(C)(NCCC1CCCCCC1)C1CCC1	398032259	KQAFNAIPVOSPBY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H](C)C2CCC2)C1	398727482	UOYHNANQMKOMJK-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCC1(CNc2cccc3ccsc23)CC1	687534259	DXBBBFVYPAJGLT-UHFFFAOYSA-N	231.364	4.503	0	10	BJAE	
O[C@H](CCCC1CCC1)C1CCCCCCC1	688354495	ZFPGVLHBQANWOV-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cccc(C3CC3)c2)C1	690152459	NMTBJQRLXVAJGI-LRDDRELGSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccc(C2CCC2)cc1	690160802	JVZSEHNHRNTNHH-CXAGYDPISA-N	243.394	4.945	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1cccc(C(C)(C)C)c1	691695658	GJPPZXBBGRBDRY-OAHLLOKOSA-N	248.410	4.844	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@]12CCC[C@H]1C2	693155304	ZLEKSSUPJLULAO-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@@H]1CCC[C@@H]1C	696560909	LHRJOIOJRPDQMO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCc1ccc(C(F)(F)F)c(F)c1	698004156	QWVGVNSZDNVOLW-UHFFFAOYSA-N	246.247	4.743	0	10	BJAE	
CC(C)=CCCCc1ccc(F)c(Cl)c1	698103185	HLSBXKWTGZVQLO-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)CCC1CCCC1	707542850	CEBPMTLVGLRJHJ-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(C[C@H](C)CC(C)(C)C)C1	709075586	DJUMSYAHDLZXFB-IIAWOOMASA-N	239.447	4.604	0	10	BJAE	
C[C@@H](CNCC1CCCCCC1)CC(C)(C)C	709080317	MAZZALIVZXSKBN-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)C[C@@H](C)CC(C)(C)C	709080640	AGHSDYPEIJZYKN-RBSFLKMASA-N	241.463	4.848	0	10	BJAE	
CC(C)(CC[C@@H]1CC[C@@H]2CCCC[C@H]2N1)C1CC1	712348006	VFDTWGHIENSLQN-CWRNSKLLSA-N	249.442	4.514	0	10	BJAE	
CC/C=C/[C@@H](C)Cc1ccc(CCC)s1	714533042	ZLPWUQYKRWFFBR-WAFBPQNNSA-N	222.397	4.845	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2ccc(C3CC3)s2)C1	716568269	YJYCCSUHPPZZFQ-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
CCC[C@@H](C)CC1(CNC2CC2)CCC=CCC1	718040592	RYJRBVSTASTUGT-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C1(C(C)C)CC1	718532988	YKPKFJXPIRXVHW-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCCc1cc(F)ccc1F	718787271	NLBOXPCGYXFHJW-UHFFFAOYSA-N	224.294	4.644	0	10	BJAE	
CCC(C)(CC)[C@H](O)CCCCCC(C)C	721701717	JKSSGANCUOMQCM-CQSZACIVSA-N	228.420	4.780	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@@H]1CC1(C)C	722664452	JRYVJVHAMPCOQG-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCCC2(CC2)C1	723603917	ONCNYUHGPVCNMW-GFCCVEGCSA-N	247.407	4.543	0	10	BJAE	
c1cc(C2CC2)ccc1NCCC1CCCCC1	821906179	ODBVNBNKKQNZPA-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
C[C@H](N[C@@H]1C=CCCCCC1)[C@H]1CCC[C@@H](C)C1	1171190426	SENRONVNVNJGFR-LTIDMASMSA-N	249.442	4.680	0	10	BJAE	
C1CCC(CCNCC2(C3CCC3)CCC2)CC1	1462314063	SAQMUZKZEXSGEQ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@H](C)[C@@H](C)Nc1cccc2cc[nH]c12	1560778892	HYBNNLSRIJKCRE-QWHCGFSZSA-N	244.382	4.795	0	10	BJAE	
CCC(CC)(CC)S[C@@H]1CCOC(C)(C)C1	1656451511	BVHVITDTKNSFSP-GFCCVEGCSA-N	244.444	4.646	0	10	BJAE	
CC[C@@H](NCC1(C)CCC2(CC1)CC2)C1CCC1	1875732142	PLYQLVDHMVUVLG-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CCC(CC)CC	1900700746	BMOQFGNDOVBCBP-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CC(=CC[C@@H](C)C(C)(C)O)CCCC(C)C	1900904582	XFAXQCMRCMADEG-CQSZACIVSA-N	226.404	4.556	0	10	BJAE	
CCCCCc1nc([C@@H]2CC23CCC3)cs1	1903455787	GNIJDGZGKQGYMW-NSHDSACASA-N	235.396	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CC)C[C@@H](C)CC	1905384761	XYLYIVWHCVKWAH-KKUMJFAQSA-N	228.420	4.780	0	10	BJAE	
C=CC=CCCCCc1ccc(Cl)cc1	1911777787	GBHYZVFEJCBMCK-UHFFFAOYSA-N	220.743	4.795	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1CC1CC2(CC2)C1	1913387551	ZKSFSWUXMMHADX-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCC(C)(C)CC[C@](O)(CC)c1ccc(C)cc1	1919893112	NMKJZCQEGSRYEL-QGZVFWFLSA-N	248.410	4.809	0	10	BJAE	
CC(C)(C)c1csc([C@H]2CCCC23CCC3)n1	1921617516	SMVKPEAXELTFJJ-LLVKDONJSA-N	249.423	4.878	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@H]1C=CCCCC1	1925928813	YUDAZQVDKUZXMX-RDJZCZTQSA-N	247.426	4.601	0	10	BJAE	
Clc1cccc(C[C@@H]2C=CCC2)c1Cl	1932591556	ACOGXTDPGIMJFA-SECBINFHSA-N	227.134	4.502	0	10	BJAE	
CCCC[C@H](CC)CC[C@H]1CCC[C@@H](C)N1	1938316351	DKEXTLYMXXMUCP-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
CC1(CCCn2ccc3cc(Cl)ccc32)CC1	1940884317	SHWDCHGVHJMHCM-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H](CC(C)C)C(C)C	1941266971	MBBQTZARJXSYQU-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)C1(C)CC(C)C1	1941979899	KEONDSXICYODQD-LVDPKSTMSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@H](O)[C@H](C)CCC(C)C)CC1	1942656717	DRZANJISEYHSMJ-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@]1([C@H](C)CCC)CCCC1(C)C	1944484226	DEAYYLPOKHZAKY-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC1CCC1)NCCC1(C)CCCCC1	1945432380	NLAIRENVTZGQMU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
O[C@@H](CC1=CCCCC1)c1sccc1C1CC1	1945815162	QILSXTLGPSPYDS-AWEZNQCLSA-N	248.391	4.549	0	10	BJAE	
CC(C)C[C@H](C(=O)C1C(C)(C)C1(C)C)C(C)C	1946172744	WUUXEXOISRMZJX-LBPRGKRZSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@H](C)CC(C)(C)C	1947454380	ARUYPNVFSLHQIS-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC[C@@H]1CCC	1947455119	SGMRSOQLFBDLOP-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CC1CCC(C)CC1	1947470797	VODQTEWVHUZTFI-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC1CC2(CCCC2)C1	1948476762	XQFQBQAVYPPBPP-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@@H]2CC2(C)C)CC1	1948994040	IKFYGRAAWDWMDX-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCC(C)(C)C1)C(C)C	1949551235	JAFNADQXUYFFMU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CCC2=CCCCC2)CC1=O	1949659563	OQIZEDWMGDCNKM-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@@H](C=C1CCC[C@@H](CCN)C1)CC	1950487547	YYHCRWKRQSGKBX-GJZGRUSLSA-N	237.431	4.668	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(CN)CCC[C@H](C)CC1	1950931714	YRFUUPUOKMTWPB-HRCADAONSA-N	239.447	4.604	0	10	BJAE	
CC=C[C@H](C)Cc1ccc(OCCC)c(C)c1C	1951305255	BJXFZZIOOMZQKH-ZDUSSCGKSA-N	246.394	4.847	0	10	BJAE	
CCC=C[C@H](C)Cc1c(C)cc(OC)c(C)c1C	1951308979	RQENRWDKKVQJNB-LBPRGKRZSA-N	246.394	4.765	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CC[C@H]3CCCC[C@@H]32)C1	1965989199	UYBXEMONNGORLX-VNQPRFMTSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CNC[C@@H]2CCCCC23CCC3)CC1	1966065026	KBBPCRAQIHCTMJ-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H]2CCCCC23CCC3)C1	1966433596	FMMAOJQSPXDAAM-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(OCC2C[C@@H](C)C[C@H](C)C2)c1	1968308411	WARXIWVCGIYTRW-STQMWFEESA-N	246.394	4.755	0	10	BJAE	
Cc1cccc(OCC2CC(C(C)(C)C)C2)c1C	1968366092	ZMCCVNCHPJYYKF-UHFFFAOYSA-N	246.394	4.755	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NC[C@H]1CCCC2(CC2)C1	1970249937	NASYPUJAVKHABK-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)CNC1CCC2(CCCC2)CC1	1970538191	LYEPNCOBUWFTSG-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)C1CCCCC1	1970664563	KKOLEVCKCQSENU-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CC(NC2C[C@H]3CCC[C@H](C2)C3)C1	1972936717	PAQMTUUZYPRJDI-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCCC12CCC(CC1)C2	1973945383	IFEMLXWVDCOGMY-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@](N)(CC)C1CCCCC1	1975998583	PEMFGBSMJQEBTK-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCCC[C@@H]1CC	1978423278	MEHVGQQPXJHJKW-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CN[C@@H](CCCC(C)C)CCCC(C)(C)C	1978480555	FFAGQOOZMZQXFQ-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](O)CCC)CC1	1980338552	FOUJLTJMBDRXLG-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](CCC1CC(=C2CC2)C1)CC(F)F	1985533140	SBGQMUHUWHEDQG-JTQLQIEISA-N	228.326	4.948	0	10	BJAE	
CCCCC[C@](O)(CC)CC1CC(C)(C)C1	1990098483	OCVXKRVHEOCYPX-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H](C)C1CC1	1995215397	VICLKYLDKHZYPZ-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H](CC)C(C)C)n1	1995461555	MNQSDQLQSFHWQT-AAEUAGOBSA-N	239.428	4.881	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@H](C)CCC(C)C	1998030396	QCQKOYFILGXQGN-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC[C@H]2CC2(C)C)C1	2000103892	AVWXSVZEIKYLGA-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CCCC1(C)CC1	2000296336	RCDLMVJMDOVAPH-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
CCNCC(CC)(CC)[C@@H]1CCCC[C@H]1CC	2000499690	MWNMHDXADXMYPC-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)CC1(C)CC1	2002514383	HJYNYXMVRDQGAQ-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCC1CCC([C@H](C)[C@H](N)CC(C)C)CC1	2002921992	TZIMPZFRHVAXBO-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CN(C1CCCCCCC1)[C@H]1CCC(C)(C)C1	2003165811	APFDRIMUNLMPLV-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CC(C)=CC[C@@](C)(N)C1CCC(C(C)C)CC1	2004225101	HRHIQBKMMCEXNM-UYSNPLJNSA-N	237.431	4.523	0	10	BJAE	
CCC1(C)CCC(O)([C@H]2CCC(C)(C)C2)CC1	2004350886	DSTPPODAYPBKPC-JEYLPNPQSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2ccc(CF)cc2)C1	2007025498	KEVCOSWEBGIZME-CQSZACIVSA-N	235.346	4.537	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)CCCC(C)(C)C	2007623401	UAPQSYRIHXGUQZ-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCC1(C)CC(Nc2ccc(C(C)C)cc2)C1	2009296110	CWHZEIZVGQOOPC-UHFFFAOYSA-N	231.383	4.801	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CCCCCC2CC2)CC1	2009404233	LSOWAZOQIFMZLF-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)[C@@H](O)C1=CC[C@H](C(C)(C)C)CC1	2010724198	ZKLXSCSRGRAKDH-AEGPPILISA-N	238.415	4.556	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H](C)CC(C)(C)C	2010985378	OBKPAAFYPKZTED-CABCVRRESA-N	237.431	4.548	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@@H]1CCC[C@H](C)C1	2011247576	BLWQKCSAOZQDDC-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@H]1CC[C@H](C)C1	2011958012	FXVKCSNSQDZDNE-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H](C)C2CC3(CC3)C2)c1	2012411406	LCMOEEARMBOTMN-LLVKDONJSA-N	249.785	4.639	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)[C@H]1CCC1(C)C	2014904120	VLVFQWOTHVDQAW-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(N)CCCCC[C@@H]1C(C)C	2015395693	AVCOWHJPVSFXJM-OAGGEKHMSA-N	239.447	4.602	0	10	BJAE	
CC(C)C1(C[C@@H]2CCCCCC[C@@H]2O)CCC1	2017117288	UCNQGDVWGOKBPR-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C[C@@H](N)[C@@H](C)CC(C)(C)C)CCC1	2017142986	ZLISXIQVXQPPRN-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC2(C(C)(C)C)CCC2)N1	2017144768	WUCWEOPPUHENEC-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC(C[C@@]2(O)CCC[C@H](C)C2)CC1	2017649375	UVRXUAWLXDPZJP-SLTXQBBLSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@H](CC2CCCCCC2)NC)CC1	2018990277	LKMLNYXPWYMFCS-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCN(C1CCCC1)[C@H](C)CC(C)C	2019301084	ZPFVCSFZYIOSKW-OAHLLOKOSA-N	239.447	4.712	0	10	BJAE	
C[C@H](C(=O)CCCCC(C)(F)F)C1CCCC1	2023341943	KPBZFEBDZBAMCS-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCc1ccccc1-c1cc(=S)c(C)c[nH]1	2023460107	BUWNXYSVIULABR-UHFFFAOYSA-N	243.375	4.672	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@@H]1CCC(C)(C)C	2024120751	YXSSUBSWYXMXBD-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC1CC(CC)C1	2025426323	HMHAZKGXSDSXGH-NFOMZHRRSA-N	238.415	4.988	0	10	BJAE	
CC=CCCC[C@H](CC1CC(CC)C1)NCC	2025427143	NBIYWQCJPSFLLW-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CC=C(C)[C@H](CC[C@@H](C)CCCC)NCCC	2026080075	DEHRXIFGRKUYJS-HOCLYGCPSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C1CC2(CCC2)C1	2026166081	HEKKIYOMIBMOKT-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC1CC=CC1)NC	2026167932	WDANVAUXFLLLPM-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CCC[C@H]1CC1(C)C)[C@@H](O)c1ccccc1	2027833663	QSMPVSGLTUTASG-VNQPRFMTSA-N	246.394	4.573	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1cccc(C(C)C)c1	2028235706	RWDIPMSNSBDERJ-SJORKVTESA-N	248.410	4.916	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NCC)c1ccccc1C	2028250813	AQQASUSLVPNABA-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)c1ccc(C2CCC2)cc1	2028612768	SKXIPOBCXGKUBQ-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@H](C=C(C)C)c1ccc(C2CC2)cc1	2029073042	AMCHYWFSXFSTDB-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1ccccc1C1CCC1	2029079182	UXPGZHOGQLHQGH-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
C[C@H](CC1CCC1)NC[C@@]12CCCC[C@@H]1CCC2	2031810065	WDOBQKVAMCRHAY-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCC1)[C@@]12CCCC[C@@H]1CCC2	2031848310	DENRCMZKFGCETB-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
C=CC=CCC[C@@]1(CNCCC)CCCC1(C)C	2032107496	XYDYAWSWOZERME-KRWDZBQOSA-N	249.442	4.705	0	10	BJAE	
CC(C)(C(=O)CC[C@@H]1C[C@@H]1C1CC1)C1CCCC1	2032305141	DOWDCDJKSOTQMU-UKRRQHHQSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1N[C@@H]1CC[C@@H](C)[C@@H]1C(C)C	2035415873	YXCGGRCGKKEHOV-XYPHTWIQSA-N	245.410	4.732	0	10	BJAE	
CCC/C=C/CN[C@H](C)c1c(C)cc(C)cc1C	2036763897	YDYJTLPEPRCTAT-ROJDOSBLSA-N	245.410	4.619	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)CC1CCCCC1	2037102143	RIAPBYVKNFYBCF-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
C[C@H](CC1(N)CCC2(CCCC2)CC1)C1CCC1	2037158520	ZTVNDZSBHUUSLV-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@H]([C@@H]2CCC3(CCCC3)C2)C1	2037686448	MBZBSKULAGLISH-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1	2039368178	AQGWVAAVMVPMMH-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc2ccccc2c1	2040721127	JFXSLQIDJDRWMP-UHFFFAOYSA-N	240.346	4.849	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H](C)C1)[C@H]1CC=CCC1	2042024867	QACBMTWNBZMVJX-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1[C@@H](N)C[C@@H]1CCC=CCCC1	2045321195	SZLZZAFBMDFSPT-NCOADZHNSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](c1ccco1)[C@@H]1CCCC(C)(C)C1	2045402226	XFPYCDBGJPIREB-UKRRQHHQSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CC2CC3(CCC3)C2)C1	2045507720	RJSVBEYICQGHJP-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CC2CCC(C)CC2)C1	2045561642	GVZXMLGFFBAPCY-FYAIKVRKSA-N	248.410	4.764	0	10	BJAE	
OC1(C[C@@H]2CC=CCC2)CC2(CCCCCC2)C1	2046230584	UOEKJISJICEAKW-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
O[C@H](CC1=CCCCC1)C[C@H]1CC12CCCCC2	2047069298	UWURVMUFGAUUAX-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H]1[C@@]1(N)CCCCC12CCCCC2	2047563050	XMMFPBNRIPOKEK-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H]1CCCCCC[C@H]1C[C@@H]1C=CCCCC1	2049682023	RIJCUJHLTSOXFP-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@H]1CCC2(CC2)C1	2049852872	CVGZUBPXFVMJNK-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NC[C@@H]1CCC2(CC2)C1)C1CCCCCC1	2049857687	SYNOAXUMOKDCRF-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCCC3(CC3)C2)C1	2049947934	KUXLBPQXPMYDSC-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
Cc1cccc([C@@H](N)CCCC2=CCCCC2)c1	2050458035	JMNKIUXSGWQZNL-KRWDZBQOSA-N	243.394	4.666	0	10	BJAE	
CCCN[C@@H]1[C@H](CC=C(C)C)C[C@@H]2CCCC[C@@H]21	2051401258	GZMDWAUQUVEPDC-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(N[C@H]2C=CCCCCC2)CC1	2051661767	YVKUOESKKLWIFG-GTPINHCMSA-N	249.442	4.824	0	10	BJAE	
CCN[C@H](C1CC=CC1)C1(C)CCCCCCC1	2053667909	RUQRBTITGMBBFO-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1N[C@@H]1CCCC[C@H]1C(C)(C)C	2055562216	CTLHOSPBYLBQIN-LVQVYYBASA-N	249.442	4.536	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccc(CCF)cc1	2055669880	PYDYDYABUOJQGR-GDBMZVCRSA-N	249.373	4.579	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1CCC[C@H](CC(C)C)C1	2055671422	IDQITLROPHVZIZ-ZACQAIPSSA-N	249.442	4.680	0	10	BJAE	
Cc1cc(F)cc(C(=O)C2(C)CCC(C)CC2)c1	2056540377	ZGDLYVJZIIJQAP-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C2(C3CC3)CCCC2)C1	2057598696	RENCAXDKFVKTJC-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@@H](NC)c1ccccc1C(C)C	2059248860	BZPTYSGZIVFUBT-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
C/C=C/CCC[C@]1(CNCC(C)C)CC=CCC1	2059256937	TZFNHIRMHZGHMC-BDUNBXCCSA-N	249.442	4.705	0	10	BJAE	
CC[C@H]1CC=C(C2(N)CCCCCCCC2)CC1	2061116018	MBQDLMKSLCIJFU-HNNXBMFYSA-N	249.442	4.955	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)[C@@H]2CCC[C@@H](C)C2)CC1	2061118500	HNCAVDBILXTUJH-MUIFIZLQSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@H]2CCC[C@H](CC)C2)CC1	2061118664	JCROOEMWMHCQKQ-YQFWSFKMSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CCC2)C1)C[C@H](C)CC	2061721522	XQWWDUANLTWPTC-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1CC(=C2CC2)C1)C[C@@H](C)CC	2061728154	HBHRDLACYDCPJZ-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
C[C@@](N)(CC1C[C@H]2CCC[C@@H]2C1)C1CCCCC1	2063536257	QDNHIHCVWJHCNN-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC(C(=O)[C@@]3(C)C=CCCC3)C2)C1	2063807051	BWUUNJGVTZWXBA-INIZCTEOSA-N	246.394	4.518	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1CC2(C1)CC2(C)C	2064133621	WUJQOFLEVLSXJK-XCCIUEIHSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)CC12CCC(CC1)C2	2065301553	XGUZDTJQJUHZKQ-GNHJJJEISA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H]2CCc3cc(N)ccc32)CCC1	2069342220	MWYXOXVLXPHTLI-CQSZACIVSA-N	243.394	4.659	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCCCCC12CC2	2070398988	OSIBJWHOSLPWMY-JKSUJKDBSA-N	249.442	4.824	0	10	BJAE	
CCC(CC)CC(=O)C1CC(c2ccccc2)C1	2071413449	YZLBPLYUSQNLRK-UHFFFAOYSA-N	244.378	4.576	0	10	BJAE	
CCCCc1ccc(N[C@H]2CC[C@H]2C2CC2)cc1	2071797866	JNNMXVNDBRWKSY-IRXDYDNUSA-N	243.394	4.630	0	10	BJAE	
CCN[C@H](CC1=CCCC1)C1(C(C)(C)C)CCC1	2071928381	LMVNIMFLPIGBKT-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC(C1CC1)C1CC1)C(C)=C(C)C	2072425018	NRFRSFSYLTXLBZ-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C2(CCF)CC2)cc1	2074496780	WHIHOJBMIAVBIU-GFCCVEGCSA-N	248.341	4.523	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@H]1CCCC12CC2	2074634285	OQAZWTYQDJNJTL-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](N2CCCC[C@@H]2C2CCCC2)CCCC1	2075411101	PUBWYYPCPGKVQB-IAGOWNOFSA-N	247.426	4.530	0	10	BJAE	
CC=C(CC)[C@@H](NCC)c1ccc(C2CC2)cc1	2077191084	ZBSORWFEEXEZMP-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@@H]1C1CCC1)CC1CCCCC1	2079313842	YWACDDSOYXPHFT-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCCC(=O)[C@H]1C[C@@H]1C1CCCCCC1	2079482882	FGYBSYJEJNYVCR-CVEARBPZSA-N	246.394	4.684	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)[C@H]1C[C@@H]1C1CCCCC1	2079488239	UGOWFDDUKBUOCB-BMFZPTHFSA-N	246.394	4.518	0	10	BJAE	
CCC(=C[C@H]1C[C@H]1C1CCCC1)CNC(C)(C)C	2079675310	HDTANOUKHCKVQI-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@@H]2C2CCCC2)CCCC1	2079830859	HERKPCGUODLFFJ-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CC1(CCC[C@@H](N)[C@H]2C[C@@H]2C2CCCCC2)CC1	2079837803	CKINMTZAITWVAL-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)CCC[C@@H]3CCCC[C@H]32)C1	2081119614	WQRNXVDXZPPIIJ-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CC=CCCCN(C)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2081147859	KJIRNLQRWVHSGC-YESZJQIVSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](C[C@H]1CCCC(C)(C)C1)[C@H]1C=CCCC1	2082983490	SOOGZQJEVHSZHG-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@@H](O)c2cccc(C(C)(C)C)c2)CC1	2083550801	QZWYWSSAGIAXEU-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@H](CCC1C2(CCC2)C12CCC2)NC	2083571177	OJHHCKKCLKCSBB-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C(CC)(CC)CN[C@H](C)CC	2212597110	LVOGAYZEPXHKFS-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@@H]1CC[C@H]1C	2215107081	YMCVMVORIFEAHD-PWSUYJOCSA-N	247.769	4.649	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@]2(C)CC=CCC2)C1	2215440991	VDWSGLORRCPBCE-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CCCC(C)C)CC1(C)C	2217138046	LVKUBEFHGVYCCZ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)C[C@H]1CCC[C@H]1C	2217140953	KWTRDUFEJBOASW-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CC=Cc1ccccc1	2219042798	AXSWJTYXNFXXTD-NVXWUHKLSA-N	246.394	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC2(C)CC3(CCC3)C2)C1	2220937485	YACVFIVBDVSDNL-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2CCCCC2(C)C)CC1	2221643066	LTYARRHEAWJQLJ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](CN[C@H]2CCCC[C@@H]2C(C)C)CC1	2221669475	XOINUTJRUDSZIP-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1CCC1)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222935065	WUDPQVSCOLXAMF-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C=C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)CN	2222955534	UQMBDKUAFSSFEO-QBPKDAKJSA-N	249.442	4.524	0	10	BJAE	
C1=CC[C@H](CNCCCCCCCC2CC2)CC1	2223107576	YZFICQVXFNMQMU-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](c1cccc2ccoc12)C(C)(C)C	2224180559	LUTUJHGBRIIHCS-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@@H](C)CC(C)(C)C	2244788232	PDZYBGGEUOYKFL-MCIONIFRSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CC[C@H]2CCC[C@@H](C)C2)C1	2246666071	MRGVEVZYUQJDBR-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@](C)(N)C2CCCC2)C1	2246681026	UFOVIWFEHSUGEF-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2(O)CCCCCC2)C1	2246693237	NKGNBUGYNBKUFR-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC(C)(C)NCC[C@@H]1CCC[C@@H](C)C1	2246697044	ZZFQBUSSZCMSIL-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)CCCC[C@@H]1C[C@H]1C	2247168143	ZJUCTOMODJGJIW-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
N[C@@H](C1=CCCCCC1)c1csc(C2CC2)c1	2248045434	VWLBIJRLALPTEB-HNNXBMFYSA-N	247.407	4.516	0	10	BJAE	
N[C@@H](C=C1CCCCC1)c1csc(C2CC2)c1	2248056100	OZRQDOVNBVJYRK-AWEZNQCLSA-N	247.407	4.516	0	10	BJAE	
Cc1csc(C)c1C(=O)[C@]12CCCC[C@@H]1CC2	2251108139	SOHZNRRUADOMSA-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@]12CCCC[C@H]1CC2	2251122437	DCHWBFDXVKYSFQ-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@]23CCC[C@H]2CC3)c1	2251160699	AWWFYDXFDRTTFR-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCN[C@@H](C(C)(C)C)C1	2251257648	MJDOYXMLYXNVBB-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)NCC1CC(CC(C)(C)C)C1	2251534783	KCVAZSZJJBVVBS-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccc2ccsc2c1	2253066282	XGLLINAUHDGCCG-NHYWBVRUSA-N	247.407	4.727	0	10	BJAE	
CN[C@H](CCC=C(C)C)C[C@H]1CCCCC12CC2	2253821944	RQSIFVDWJJCUGC-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C(=O)CC[C@H]2CCC[C@H](C)C2)oc1C	2253930495	MXQRBBWBZZHHJX-SMDDNHRTSA-N	248.366	4.686	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CC2=CCCCC2)c1	2255054794	JWMDNIFYFOYFQY-UHFFFAOYSA-N	242.362	4.685	0	10	BJAE	
N[C@]1(CC2=CCCCC2)CC[C@@H]2CCCC[C@H]2C1	2255096542	YBDZKZCQJKCXGF-ULQDDVLXSA-N	247.426	4.565	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@](N)(CC1=CCCCC1)C2	2255102309	LVIIXPQYDIDCNX-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
N[C@]1(CC2=CCCCC2)CCC[C@@H]2CCCC[C@@H]21	2255142168	AGEHHIBNLOHJPD-ULQDDVLXSA-N	247.426	4.565	0	10	BJAE	
Cc1cc(NCC2CCC(F)CC2)cc(C)c1C	2258238843	QXDVXOCCHWVUGZ-UHFFFAOYSA-N	249.373	4.552	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cccc(C2CCC2)c1	2259466209	YUVCHNYJEYPEOV-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
c1cc(C2CC2)ccc1NC[C@@]12CCC[C@H]1CC2	2260577014	BYONBQQJUGXKJO-RDJZCZTQSA-N	241.378	4.556	0	10	BJAE	
CC1CC(CC[C@H](N)C[C@@H]2CC23CCCCC3)C1	2261490207	JJMCFQBOLVMMTE-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1C=CCCC1(C)C	2300501885	SPKICDLYQKPHCM-HUUCEWRRSA-N	237.431	4.536	0	10	BJAE	
CCC(CC)CCC(O)(CC1CC1)CC1CC1	2300687986	IRSZSFGUTURKHM-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)CC(C)(C)CC	2300876124	CLQAKRACZVLLOS-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CC(=CC[C@@H](N)CCC1CC1)CCCC(C)C	2300927739	XZVWEFCTPVQYPL-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CC[C@@](CNC)(CC1CCCCCC1)C(C)C	2301187702	DABFDBIZMZNSGN-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)CNCCCC1=CCCCC1	2302317743	LAZLTWWQJHBSGX-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CC[C@H](CCCC2=CCCCC2)CC1=O	2302344967	MGCDWKRQJJCZMD-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)C1)c1ccc(N)cc1	2302761117	OSEGNPCRNOVIDT-OLZOCXBDSA-N	231.383	4.589	0	10	BJAE	
CC[C@](O)(C[C@@H]1CC[C@@H]1C(C)(C)C)C(C)(C)C	2303487577	OCUNMGOQNPDTMA-XEZPLFJOSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)[C@H]1CCCCC12CCC2	2309678447	HEHXSPXEDJIONB-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)N(C)[C@H]1CCCCC12CCC2	2313598586	GUQPWRDGVZQBLW-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCC[C@H]1C[C@H]1C	2315870051	JGAZTLGQNOIFFX-ZBFHGGJFSA-N	245.410	4.967	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cc(C)c(C)cc1C	2316251336	HYIRZMBFHHLSRA-KRWDZBQOSA-N	247.426	4.828	0	10	BJAE	
CC(=CCNCC=C(C)C1CC1)CCCC(C)C	2316497605	SWILLQIJLLMSHS-UHFFFAOYSA-N	249.442	4.705	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@@H]1CCCC12CC2	2316543194	XEHPQIMVKGDPEK-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2316868799	BADBFRYNMJDMNS-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NC)c1ccc(C2CCC(C)CC2)cc1	2317107589	PBHQKDKBWDWRNY-MQBCKMQZSA-N	245.410	4.651	0	10	BJAE	
CC(=C1CCC[C@@H]1[C@@H]1CCCCN1)[C@@H](C)C(C)C	2317818869	CPDJHHGIABHHJK-JQFCIGGWSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@@H](C)[C@@H](C)C(C)C)cc1	2317859982	WBOTZYVGODDDJI-GRDNDAEWSA-N	247.426	4.738	0	10	BJAE	
CC(C)c1ccc(F)cc1NCC1(C(C)C)CC1	2317921623	AGRGCOSROAJIPJ-UHFFFAOYSA-N	249.373	4.797	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@H]1CCC2(CC2)C1	2318509552	GATBADNOVZCCCP-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
C[C@H]1C[C@@](N)(CCCC2=CCCCC2)CC[C@H]1C	2318565623	NRNNOEWIJZKWKJ-HLLBOEOZSA-N	249.442	4.811	0	10	BJAE	
CCNC[C@@]1(CCCC2=CCCCC2)CC1(C)C	2318587604	UYDZSCCBCSPTRG-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)CCCC1=CCCCC1	2318592186	GKGWRRXSZDYLJM-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)CC1CC(C=C[C@]2(C)CCCCN2)C1	2318821659	UDVMHQXIQUIVNX-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C(CC1CC1)CC1CC1	2318930700	OEPSHNFYOPTWFF-IUODEOHRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)[C@H]2CCCC23CCC3)C1	2319029418	IQBPOHFNMVGWDK-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C[C@@H]1CCC(C)(C)C1	2319080948	QMEVKVJWCJNBTD-LSDHHAIUSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2C[C@@H]3CCCC[C@H]32)C1	2319120216	AUONPLWZVZOJCA-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H]2CCC23CCCCC3)CC1	2320237651	MDWCRJSLHAQOAE-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC(=O)C1(CC2CC2)CC1	2320247515	BTJRCKPSTJLFKG-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2CCC(C)=C(C)C2)CCCC1	2320416373	JTFFTHJZCUWLSU-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@]2(C)CC=CCC2)CC1	2320421542	WBQMPAXVRVTKRF-DOTOQJQBSA-N	246.394	4.829	0	10	BJAE	
CC1(C)CC[C@H](CCN2CCCCC23CCC3)C1	2321587237	MPHQQXZESXTNHE-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC1=CC[C@H](CNCC[C@@H]2CCC(C)(C)C2)CC1	2321625615	CALBHTKRIZBIIO-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1cc(C)ccc1C(C)C	2327681943	OIMVRQMNPGBNGZ-SUMWQHHRSA-N	247.426	4.815	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)c1ccc(C)cc1C	2328283742	ZXPJSIIJWCCLMZ-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](C)CNc1cccc2ccccc12	20553352	RHSKOLLQJIIUSC-CYBMUJFWSA-N	227.351	4.688	0	10	BJAE	
CC[C@@H](C)[C@H](C)NCCCCCCC(C)C	21518980	NJELGOOXBYDMND-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
C[C@H](NC1CCCCCCC1)C1CCCCC1	37199289	FTMODURMWRJQOH-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CCC[C@@H](CC)N[C@H](c1cccs1)C(C)C	50402118	FSOGWGKQPAITJF-OCCSQVGLSA-N	239.428	4.614	0	10	BJAE	
CC[C@@H](NC(C)(C)CC(C)(C)C)c1ccco1	54105510	NRPQUUCAAFIBSJ-GFCCVEGCSA-N	237.387	4.535	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)c1cc(C)ccc1C	68860468	AYADCEQLPYIFSV-VYDXJSESSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(SC)cc1	68985367	BSHWRLAEYWIRGN-LBPRGKRZSA-N	237.412	4.789	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(C)cc1C	69631069	GZHJTYUPWMASKD-CQSZACIVSA-N	219.372	4.684	0	10	BJAE	
CC1(C)CCC(N[C@H]2CCC[C@H](C3CC3)C2)CC1	81639794	OVSQAIWKCPZUNO-HOCLYGCPSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)c1ccc(-c2ccc(C=O)s2)cc1	82552032	DQYQTVWXGVULDY-NSHDSACASA-N	244.359	4.741	0	10	BJAE	
CC[C@@H](C)c1ccccc1NCc1ccccc1	83367366	BUNMZWKLNCDADX-CQSZACIVSA-N	239.362	4.812	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@H](C)[C@@H]2C)c1C	85085449	AJYPZYZJNYGKMM-DUVNUKRYSA-N	231.383	4.540	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)CCC(C)(C)C)[C@H](N)C1	85156345	OWHRGWGGDUMWSQ-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C2CCC(C)(C)CC2)c1	87942269	DONQOEOXWQOICR-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H]1CC[C@H](CC)C1	88019206	JZLOAOHNLKJAEW-BHYGNILZSA-N	245.410	4.554	0	10	BJAE	
CC(C)C(=O)c1cc2cc(C(C)(C)C)ccc2o1	88071801	CWQSGSFXUJORKT-UHFFFAOYSA-N	244.334	4.569	0	10	BJAE	
CCC(=O)[C@@H](c1c(C)c(C)cc(C)c1C)C(C)C	107657708	FQKKPBAPAVDTLP-INIZCTEOSA-N	246.394	4.639	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)c1ccccc1C	109705171	UKENZARBTLTDJX-DOTOQJQBSA-N	247.426	4.775	0	10	BJAE	
CC(=O)[C@]1(C)CCC2=C([C@H]1C)C(C)(C)CCC2	113264225	YQYKESUTYHZAGG-BDJLRTHQSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C(CC)CC	133542154	NKHAHEGIZHZVCI-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@@H](O)CC[C@H]2C	136938075	LAOSMSGNWFMBJV-WBMJQRKESA-N	246.394	4.864	0	10	BJAE	
CCCC[C@@H]1CCCCC[C@@H]1CNCC(C)C	155867786	NGMGMJJEXZKSBD-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@@H](C)CC(C)(C)C	162763821	AKUFKZIUJHJRMQ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(=O)c1ccccc1C(C)(C)C	164765621	PNXNKSKKTOWFGU-UHFFFAOYSA-N	232.367	4.747	0	10	BJAE	
C/C=C/CCCc1cccc2ccccc12	199389457	UNOLOMAJTZCPPN-NSCUHMNNSA-N	210.320	4.739	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2C[C@H](C)CC[C@H]2C)c1	227002930	GOROUYQJAJQPPF-DJSGYFEHSA-N	231.383	4.540	0	10	BJAE	
CCCN[C@H](CCC1CC1)c1ccc(C)c(C)c1	229557160	ZEKYQKZBMBVBDG-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@@H]1CCC12CCCCC2	230173292	XBYUMCUUDLFSKC-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)C[C@H]2C)cc1C	235239203	NQOBWGGYYHMSGU-HIFRSBDPSA-N	231.383	4.540	0	10	BJAE	
Cc1cc([C@H](C)N[C@H]2CCCCC[C@H]2C)c(C)o1	251074564	KQLQQNUTWVAWRK-FFSVYQOJSA-N	249.398	4.516	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)CCC[C@H](C2CC2)C1	300127117	CPPGMCIKAZFZIE-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)C1=CCCCCCC1	300136806	RYLCXIKDIUOJOJ-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CC(C)(C)CC[C@@H]1CN	302354673	WXUKXJAYZMGJJR-ZIAGYGMSSA-N	239.447	4.604	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H](C)C(C)(C)C	302364838	BVMBAHBEYFNDHX-CYBMUJFWSA-N	233.399	4.904	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1cccc(CCC)c1	302447797	UVHFEUUWESWTQU-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
c1cc2cc(N[C@H]3CCC[C@H]4C[C@H]43)ccc2s1	302714491	YURMHGHGKFJEON-GDLCADMTSA-N	243.375	4.502	0	10	BJAE	
CCCCCC[C@H](C)Oc1cc(C)c(C)cc1N	306033112	LRAHGSMIFWXOPC-AWEZNQCLSA-N	249.398	4.623	0	10	BJAE	
CSc1cc2cc(Cl)cc(Cl)c2s1	306813893	BKFIFICFIQJVTF-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCc1cc(Cl)c2ccsc2c1SC	307228503	IKPOXDDZIHEANU-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H](CC)CC(C)C	308106481	VWTRQHWUCQEHEN-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
C[C@H](Nc1ccccc1)c1c(F)cccc1Cl	310139961	BXZJFOXBQSXQTB-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CC1(CC2(CN)CCCCCCC2)CCCC1	310526895	NDJSJQZWBTYYQE-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](CC)c1cccc(C)c1	310716461	WORXAZIFGAUWDC-QRTARXTBSA-N	247.426	4.860	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cccc(Cl)c1C	320260965	ZGJKRNUWBUBEQY-VHSXEESVSA-N	238.758	4.513	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H](C(C)C)C1CCC1	324895430	HBRGHKWJHYZATR-IMJJTQAJSA-N	239.447	4.616	0	10	BJAE	
Fc1cccc(NCC2CCCCCCC2)c1	379638477	RVUVROPXINGUPE-UHFFFAOYSA-N	235.346	4.598	0	10	BJAE	
C[C@H](C[C@H]1CCCCC[C@@H]1N)C1CCCCC1	380077541	DGMXTWHENPSXOA-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC1(COc2cc(Cl)ccc2Cl)CCC1	380146006	ZMFNKGYQPUPMIX-UHFFFAOYSA-N	245.149	4.562	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C1CCCCCC1	381428886	GBYXOEXFPDNKJZ-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CCC[C@@H](C)NCC[C@H](C)CCC=C(C)C	381548920	LSMWDRXMHYIGNZ-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CC(C)c1ccccc1C(=O)CCC(C)(C)C	383348926	ZMPQGMUFKSGZSG-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
C[C@@H]1C[C@H](NC2CCCCCC2)c2ccccc21	385760439	UEZHHYMXTCOKMX-DYVFJYSZSA-N	243.394	4.547	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H]1CC2CCC1CC2	385858955	ZCORAOYVUKWINE-UYSNPLJNSA-N	246.394	4.662	0	10	BJAE	
CC1(COc2ccccc2C(C)(C)C)CCCC1	385926620	KFJDAGMPLVLUID-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H]2C[C@@H]2CC(C)C)cc1	387807493	JIDFTZSLWIGNEE-JKSUJKDBSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CCCCNC(C)(C)C)C1	394621711	MGMLOESPZRBYCG-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)NCCC1CCCCCC1	394639072	UGVXQAXYSPAGCG-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC1CCC(C(=O)C[C@@H](C)c2ccccc2)CC1	394997238	DTZOULSKQRGLHO-NPCAHTBFSA-N	244.378	4.576	0	10	BJAE	
CCc1sc2c(SC)cccc2c1CC	396170855	PZNIWLCXUDQNCU-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cc(C(F)F)c2ccsc2c1S	396238105	IZDSYNUELYWFSW-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1ccc2c(C(F)(F)F)c(C)sc2c1	396306302	PYKYENQDFQYFMC-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CSc1cc(C(F)F)c(C)c2ccsc12	396405399	KZGCHFQAGKWMKM-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC[C@H](N)C[C@@H](C)CC[C@H](C)CC(C)(C)C	396699692	UVIMSFKQYKGECC-IHRRRGAJSA-N	227.436	4.602	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@H](C)C(C)(C)C	399229794	YVHKCXVXLVSPHO-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1cc(C)ccc1C	401574949	HIDUEFZPVJWUAG-CVEARBPZSA-N	245.410	4.932	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1cc(C)cc(F)c1	401851813	VEWPUNOPQVPVHE-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CCCC(CCC)C(=O)c1coc2ccccc12	404322098	JYVOPKDQYUUNLJ-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
O=C(CCCC1CCC1)c1csc(Cl)c1	688821786	XBVOVYWDXNSOAA-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H]1C[C@H](C)[C@H]1C	690188848	JMQKYSQAEATJTM-WOSRLPQWSA-N	245.410	4.576	0	10	BJAE	
CC(C)(C)c1cc(Cl)ccc1CC1CC1	694972847	LRXLFACTDAGSQJ-UHFFFAOYSA-N	222.759	4.590	0	10	BJAE	
CC[C@@H](N[C@@H](C)C(C)(C)CC)c1cccc(C)c1	695102319	ZSSCLJIYEGNJFD-GOEBONIOSA-N	247.426	4.860	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCCC2(CC2)C1	695693138	YSAMBFHPEGDLLF-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCCC[C@H]2C2CC2)C1	696107309	UUUVMHRETXIRCW-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](N)CC1CCCCCC1	696548861	CXFPEEJMPKRRCK-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCc1ccc([C@@H](N)CC(C)(C)CC)cc1CC	696561672	PMZBJAYAUXLZME-INIZCTEOSA-N	247.426	4.638	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCC[C@H]1C(C)C	696678293	NEZYLCCBURGWOC-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(CN)(CCC=C(C)C)CC1	697769595	NCZDYPJVHGUXPR-UHFFFAOYSA-N	237.431	4.668	0	10	BJAE	
CC(C)=CCCC[C@H](C)c1ccccc1	698005097	ZWMLQZASGPRSLU-AWEZNQCLSA-N	202.341	4.927	0	10	BJAE	
CC(C)=CCC[C@H]1C[C@@H]1c1ccccc1	704571408	BBEAEJXEVVUQIM-LSDHHAIUSA-N	200.325	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H]2CCCC(C)(C)CC2)C1	704898983	ZECRPIVWXVYJGQ-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
Cc1cc(NCC[C@H](C)c2ccccc2)cs1	710710891	NUVDAIFZTXYMFB-LBPRGKRZSA-N	245.391	4.662	0	10	BJAE	
C[C@H](C[C@@H](O)C1CCC(C)(C)CC1)C(C)(C)C	710743136	VHPAICBRDXUEQJ-TZMCWYRMSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](C[C@H](CC)C(C)(C)C)C(CC)CC	711071751	OLIRQLJJCQWPSJ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C[C@@H](O)c1ccc(C)s1)C(C)(C)C	711210005	GUFHEBSHESZCRB-NWDGAFQWSA-N	240.412	4.552	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)C1CCCCCC1	713044605	RAMSHOZPOGCXCF-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C[C@@H](N)CC(C)(C)C(C)C)C(C)(C)C	713134351	TYQHKDNVMVUXLO-UONOGXRCSA-N	241.463	4.848	0	10	BJAE	
CCC(C)(C)CC1(N)CC(C)(C)CC(C)(C)C1	713242843	KOEWONCBTJNMTA-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
C=C/C=C/CC[C@H](NC)C1CCC(C(C)C)CC1	713737867	ANDVMQYQFOCIPT-LUXGMQOYSA-N	249.442	4.559	0	10	BJAE	
C1=CCCC(NC2CCC3(CCCC3)CC2)CC1	718052969	NIEWYESWVPVECH-UHFFFAOYSA-N	247.426	4.578	0	10	BJAE	
CCO[C@H]1C[C@@H](CCC(C)=C(C)C)C1(C)C	718789456	WAPPYGPQULLWSN-KGLIPLIRSA-N	224.388	4.574	0	10	BJAE	
c1cc(NCCCCC2CC2)c2sccc2c1	720196169	YFCCBDRIILSDFD-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC1CCCCC1	720361090	XICULKFEPIAMID-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@](N)(CC)CC1CCCCC1	720402550	RRGZKSKOMINWKP-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2C[C@H]2CC)cc1	723148248	HKKCYIXNNDITSQ-GZBFAFLISA-N	232.367	4.625	0	10	BJAE	
C=C/C=C/CCS[C@@H](C)c1cccc(OC)c1	1165816717	KQISXOMNYSGSFE-GFUIURDCSA-N	248.391	4.622	0	10	BJAE	
CCc1cccc(NC[C@H]2C(C)=CCC[C@@H]2C)c1	1199505967	POBKKKLHHVEQNM-YOEHRIQHSA-N	243.394	4.653	0	10	BJAE	
CCC[C@H](C)N(C)[C@H](C)c1ccc(Cl)cc1	1257323560	AEZIAPJPODTOHC-NWDGAFQWSA-N	239.790	4.521	0	10	BJAE	
CCC1CCC(N[C@H](C)CCC=C(C)C)CC1	1474534297	QLLAXPMSZYKIKQ-QQFBHYJXSA-N	237.431	4.680	0	10	BJAE	
CCC1(C)CCC(NCCCC2CCC2)CC1	1658575233	CIXVYGIDINZDAV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1cc(Cl)ccc1F	1901621879	AGIOOESPYHISRR-UWVGGRQHSA-N	243.753	4.572	0	10	BJAE	
CCc1cscc1N[C@@H]1CCCCC[C@H]1C	1902381441	NOVFFIZGMMOUCL-DGCLKSJQSA-N	237.412	4.691	0	10	BJAE	
FC1CC2(C1)CC(C[C@@H]1C=CCCCC1)C2	1903356661	SHFSOTAENRFZMR-AUXXQLBISA-N	222.347	4.651	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1cscc1CC	1905441830	AWNCUXQLIGFJKJ-BXUZGUMPSA-N	240.412	4.560	0	10	BJAE	
C=CC=CCC[C@H](NCC)c1ccc(Cl)cc1	1912128413	AUELBAVSODOFQC-HNNXBMFYSA-N	249.785	4.513	0	10	BJAE	
CC(C)C1CC(N[C@@H]2CCC3(CCCCC3)C2)C1	1915863557	FBIZQCMVJIMTIB-HWOWSKLDSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC(C)(C)C)C=CCC1	1916384891	GKKHDLBKASDBAU-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CCCC2)C1)C1CCCCC1	1916439554	AIXQRBZZOKTALI-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCc1ccc([C@@](O)(CC)C[C@@H](C)CC)cc1	1919968695	CMURCEINWYZNFC-WMLDXEAASA-N	248.410	4.673	0	10	BJAE	
CC(C)(C)c1csc([C@@H]2CCCC23CCC3)n1	1921617518	SMVKPEAXELTFJJ-NSHDSACASA-N	249.423	4.878	0	10	BJAE	
Cc1cc(Cl)ccc1C[C@H]1C=CCCCC1	1925870145	PINVKWUDTDSTAU-ZDUSSCGKSA-N	234.770	4.937	0	10	BJAE	
CCC(CC)CCN[C@H](C)c1cc(C)ccc1C	1926176525	NQQXCEPOROKYBR-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CC(C)c1csc([C@@H]2CCCC2(C)C)n1	1930067447	UAFLSERNKITSES-JTQLQIEISA-N	223.385	4.560	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1ccsc1Cl	1933728775	QSPFLMDVSNVGEU-SNVBAGLBSA-N	245.819	4.618	0	10	BJAE	
CC1(C[C@@H](CN)C2CCCCC2)CCCCC1	1940406856	NHZRQGRUGUVBSB-HNNXBMFYSA-N	237.431	4.502	0	10	BJAE	
CC1(C[C@H](N)CC[C@H]2CC2(C)C)CCCCC1	1940861454	CVOGYPOUYXYYBY-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(F)c1ccc(N)cc1	1940968405	XOJNQRACFXNPCO-SWLSCSKDSA-N	237.362	4.526	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@H](CC(C)C)C(C)C	1941274192	YAQGUSREIRSLHF-HZPDHXFCSA-N	239.447	4.769	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CCCC1CCC1	1941470538	RPHXDHHTYYVERP-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CCCCC1(NCC2(C)CCCCCC2)CC1	1942344544	NIUDDOBEQWSQIE-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCC[C@@H](CCC[C@@H]1C[C@@H](C)C[C@@H](C)C1)NC	1944203774	OPEAAPJURCMCQL-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC(=O)C(C)(C)C2CCCC2)CCC1	1944635296	PKOLVDQJBUKGEM-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C[C@@H]2CCC[C@H]2C)C1	1944800199	WWOHFNHQPHOCFU-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CC[C@H]2CCCC[C@@H]21	1946368538	SGUDSZXTVSAEGX-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC[C@@H](CCN)C1	1950493362	GXJSSXCEZQHYJI-HRCADAONSA-N	239.447	4.748	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](O)CCCC2(C)CC2)CC1	1950910483	GYIMMMPTGJPIHL-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCC1([C@H](CCCCCC(C)C)NC)CCC1	1951237959	AFHUYZCCHXXARU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@@H](C(C)C)C2)ccc1F	1963197789	SNAXJFAZKPONHH-ZIAGYGMSSA-N	249.373	4.625	0	10	BJAE	
C1CCC(CN[C@H]2CCCC3(CCCC3)C2)CC1	1966036463	XTHZVUCSVIJURW-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCC(C)(C)C1CC1	1967698459	CKVCQJAIGMBFNF-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)CCCC(C)C)c1	1968307642	NHJJFQLFXDHNOH-HNNXBMFYSA-N	233.399	4.930	0	10	BJAE	
CCCC[C@H](CC)CNc1cccc(OC)c1C	1968827575	JREFJSJTJGGULB-AWEZNQCLSA-N	249.398	4.632	0	10	BJAE	
CCC[C@@H](C)N[C@@H](C)C1CCC(C(C)C)CC1	1968898383	BPEWITILJNSPQX-QVOMUQBLSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](NC1CCC2(CCCC2)CC1)[C@H]1C[C@H]1C	1970538275	MUVIGVCQERPCKH-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](NCC1(C)CCCCC1)C1CC2(CCC2)C1	1971294943	BAEFZAYEBNSSPL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@H](N)c1cc(C(F)F)cs1	1977080193	CULOKLAZZJTNLU-JTQLQIEISA-N	247.354	4.512	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)C[C@@H](C)CC(C)(C)C	1988300684	SEAXZLYZYVWDCX-OLZOCXBDSA-N	226.404	4.700	0	10	BJAE	
CC(C)=C(F)CNc1cc(C)c(Cl)c(C)c1	1989651392	GNXXKEAYAJHJNG-UHFFFAOYSA-N	241.737	4.632	0	10	BJAE	
CCCCC[C@H](CC)NCC1(CCC)CC1	1990093115	HQPCOKVOLNRPFZ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccccc2SC2CC2)C1	1996550762	XDPZLIPKNWPZHU-VXGBXAGGSA-N	247.407	4.542	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H]1CCC[C@@H]1C)NCC	1996602075	BWOKUUAXEHJJDP-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)[C@H]1CCCC2(CCCCC2)C1	1996648373	YWZKASQQCWVOSM-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@](C)(N)CC1CC(C(C)(C)C)C1	1998239726	JPNAVYUQYFRDPK-XUJLQICISA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](O)CC2CCCC2)C1	2000034990	VXZTTZFXUPKLQZ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC(C)C)C1(C(C)C)CCC1	2000391288	VUOYSSKMFNQSAB-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CN)C1CCC(CC)CC1	2000501725	HJMDVOHKRLPVQY-UYSNPLJNSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@@](C)(CNCC)C[C@@H]1CC=CCC1	2000504651	KBVXDAFOFABAHN-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1Cl	2000833360	FUIASIYYVPRXLQ-ITGUQSILSA-N	249.785	4.639	0	10	BJAE	
CCCCCN(CC1(C)CCCCC1)C(C)C	2000899977	IKQCFMQQBYPASJ-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
Cc1cscc1C(=O)C[C@@H]1CC12CCCCC2	2001249734	GLHZKGKTAORROH-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CC1(C[C@H]2CCCCCC[C@@H]2O)CCCCC1	2003095801	RKJUWQJZRLRSKW-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
O=C1CCCCCC[C@H]1CCC1=CCCCC1	2003111488	LTQQWXWGVKHVRG-HNNXBMFYSA-N	234.383	4.807	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H]1CCCCCCC[C@@H]1O	2003112330	SYLAVQDBSHLBBQ-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C(C)(CC)CC)[C@]1(C)C=CCCC1	2003322614	RJPDZEDTYSZMSQ-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H](CC)C(C)(C)C	2004227194	RGMGLBGPXBBYAV-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccc(CF)cc2)CC1	2007023904	FPMOWXRRVWVIDE-TZMCWYRMSA-N	235.346	4.537	0	10	BJAE	
CCC1CC(C[C@@](N)(CC)C2CCCCC2)C1	2007750816	XGVXEQAGUGVQEJ-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCC1CC(Cn2ccc3cc(Cl)ccc32)C1	2007767328	JVFRXAVAACDRCW-UHFFFAOYSA-N	247.769	4.731	0	10	BJAE	
Cc1cc(Cl)ccc1[C@@H](N)C=C1CCCCC1	2007941124	YPPTUEYOOYRGET-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C(CC)(CC)CC	2009616040	FOFPBCNRIXERDO-VQCVXAJWSA-N	239.447	4.927	0	10	BJAE	
CC[C@H](C)C[C@H](O)C1=CC[C@@H](C(C)(C)C)CC1	2010727845	ZQEKLOTVXRKXOV-CFVMTHIKSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(C)CC(=O)CC1C[C@@H]2CCC[C@H]2C1	2011946453	BITNPMHDGBJTQR-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H]1C[C@H](NCCC)CC2(CCC2)C1	2012042070	QOHOQUKMIFQDDO-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@@](CC)(CNC1CC1)C(C)C	2012416009	GVAFBHBEKWPSIN-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@H](O)c1sc2ccccc2c1C	2014293823	RTEYFINPZSCLCX-AWEZNQCLSA-N	248.391	4.679	0	10	BJAE	
CCN[C@@H](CC(C(C)C)C(C)C)C[C@H](C)CC	2015275477	QGOCAJBGUCJORH-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(CO)CCCC(C)(C)CC1	2015284912	RPUXXOQRCMBVSE-ZBFHGGJFSA-N	240.431	4.638	0	10	BJAE	
CCCC1(CN(C)C[C@H](C)CC(C)C)CCC1	2015633026	MITNPJIALFUYFV-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CCCC1(C[C@@](O)(CC)CCC(C)C)CCC1	2015642566	RRLZGLNFMITDQP-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2C=CCCCC2)CC1	2015743221	KMFDVSVQDXZKDL-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)CNC1(CC2CCC2)CC1	2015793892	STOWWTHJVKTKTA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(NC[C@@]23CCC[C@H]2C3)c(C)cc1Cl	2016318809	SKVPFXSNPOBPPU-WFASDCNBSA-N	249.785	4.559	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)CC1(C(C)C)CCC1	2017122061	WRMWOMQIUVIZFE-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCC[C@H](CC[C@H]1C[C@@H]1C)NCCC	2017242276	KHTJNQMDKSWMRN-QLFYQDEUSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@]1(C)NCCC1CCCCCC1	2017868092	JXASPVXWOFALTL-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CC(C)=C[C@H](C)C1	2018079853	QEIMIDHORMAYRO-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCCC[C@@H]2CC)CC1	2018923817	HDURRYAZCDFMGD-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CC(O)(CC2(CCC)CC2)C1	2018968040	QMGFIDHTMVYBLB-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](CC)N(C)CC1CCC(C)(C)CC1	2019228641	LDZDJADQLNDXAF-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCCN(CCC)C[C@H]1CC[C@H](CCC)CC1	2019476888	CSMVCGVXWLALMD-WKILWMFISA-N	239.447	4.715	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCC(C)(C)[C@@H]1O	2020408420	SMYGJGAIXUTOJL-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCCCN(CCCC)C[C@H]1C[C@@H]1C(C)(C)C	2022621679	XULFREJTAOSYIT-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CCCC(C)(F)F	2023306470	IXHGBKRHSQVKEQ-OLZOCXBDSA-N	249.389	4.746	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@H]1CCCC(C)(C)C1	2024092217	PENIDCWKUJFAMO-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2CCCC(C)(C)C2)CC1	2024093173	ZBTPXDLLXQASTR-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@@H](O)C2CCCC2)C1	2024119889	RUUCROBAEOMEFY-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CC[C@H](C(C)C)C1	2025575632	YKOIAERAUIBWJL-JYJNAYRXSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC1(CC)CCC1	2026166115	HLJRKGQMKUAINF-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H](C)[C@@]12CCCC[C@H]1C2	2027024128	ZULVTTJGWAEJBR-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CCC(CC)C[C@@]1(CNC2CC2)CC=CC[C@@H]1C	2027926938	SGTRDIXIPWKSCY-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc2oc(CC(C)C)c(O)c2c1	2028126792	CRTUVJBRHQCPDG-UHFFFAOYSA-N	246.350	4.680	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1)[C@@H](CC)C(C)C	2028253209	VBGJXAUWRLQZGD-IRXDYDNUSA-N	247.426	4.718	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1ccc(C2(C)CC2)cc1	2028596003	CGRWJBGAYKXVPH-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C2(C)CC(C)C2)cc1	2029106833	XCPNBBGQNAJDNK-MITNXELNSA-N	245.410	4.636	0	10	BJAE	
N[C@H](CC1CCCCCC1)CC(C1CC1)C1CC1	2032156866	BLARMWDKMHMHER-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@H]2CCC[C@H]2C)Nc2ccccc21	2032514372	MKYAVKPPAAZYNM-APIJFGDWSA-N	243.394	4.801	0	10	BJAE	
O=C(CCC1CCCCC1)CC1[C@H]2CCCC[C@H]12	2032775654	GSZYNCGWBWZFRE-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](N)(CC1[C@H]2CCCC[C@H]12)C1CCCC1	2032819514	HEQAJDMGTVIGDI-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](NC2(C3CCCCC3)CCC2)C1	2033057871	ZATWSTBRMRKNGD-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)C1(C)CC(C)C1	2035586389	ABJLPUNYZZMYIX-YZUHTNEWSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(C2(N)C[C@H]3CCCCC[C@@H]3C2)CC1	2035861272	OIOWRPJUJCHXTG-LVDPKSTMSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CCC([C@@]2(N)CC23CCCC3)CC1	2036094294	CPBGWAOBASEPDK-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CCC1(CN[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)CCC1	2036664506	KSGUMCXMZWCFRP-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](n2ccnc2C2CCCC2)C1	2036775358	DMKGXYDSZOSTAQ-UKRRQHHQSA-N	246.398	4.682	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C1=CCCCCCC1	2037076294	RPAQGKXKNUDDKV-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CCCc1cccc([C@H](N)C(CC)(CC)CC)c1	2037085442	AUDJCXAEUDUUPF-INIZCTEOSA-N	247.426	4.855	0	10	BJAE	
CCNCC1([C@H]2CCC(C)(C)C2)CCC=CCC1	2037687015	PSJAIYDNCIUBIR-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC1CCC(NC2CC3(CCC(C)CC3)C2)CC1	2038934511	UMZOIUSDSRSZMH-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNC(C)(C)C1CCCC1	2039453332	QVAHZNDHGSSHSN-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@]2(N)CCC3(CCCCC3)C2)C1	2040168153	DXISAFOZZLNEQF-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@@H](CC2(CNC3CC3)CCCCC2)C1	2040181097	GWOISVCBAQSRQE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C=C1CCC2(CC1)C[C@@H]2CN)CC	2040493900	JHJWCWAOPUOHIW-IYNBXCLQSA-N	249.442	4.668	0	10	BJAE	
CC1CCC([C@H](C)NC[C@]2(C)C=CCCC2)CC1	2040632376	DNEMYGPHBYSJLL-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1CCCCC1)C1CC=CC1	2042025377	UUHHYLXEPZCMCA-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(C(=O)c2cccc(C3CC3)c2)CCC1	2045569622	QNAWADBNEFRKHM-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@@H](c1ccccc1)C(C)C	2045681088	UANYWWPFZORUHS-OFQRWUPVSA-N	246.394	4.678	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)c1ccc(C)c(C)c1	2045729582	GFFFPURUJCOUOJ-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CC(C)C[C@@](O)(CC1(C)CCC1)c1ccccc1	2046902812	OXSBCPPLCUHTSQ-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)C[C@@H]1CC12CCCCC2	2047057667	CECLYEPNDAAPBO-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCC1	2048443659	RLZNSIACTUXTJF-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)CC=CCC1	2048465399	IZPKSFRWKRSTBF-JYYAWHABSA-N	246.394	4.518	0	10	BJAE	
CC[C@H]1CCC[C@H](CC(=O)c2ccccc2F)C1	2050495391	SZTZZBFBBVUAEH-STQMWFEESA-N	248.341	4.615	0	10	BJAE	
CCC1(CC)CCc2[nH]c3c(F)cccc3c2C1	2051616099	JJBHTPFLLCWAPD-UHFFFAOYSA-N	245.341	4.602	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)C[C@H]1C=CCCCC1	2053402292	WQUHDDSTWLNJSY-RDJZCZTQSA-N	249.442	4.668	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2ccc(CF)cc2)C1	2055678339	OQECUKRIYNVVHZ-IUODEOHRSA-N	247.357	4.560	0	10	BJAE	
Cc1cc([C@H](C)Nc2ccc(CF)cc2)c(C)o1	2055678956	XBOSSXYQBPOHQF-NSHDSACASA-N	247.313	4.539	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)[C@H]2CCC(C)(C)C2)CC1	2061091461	JJLCADWJDYAHOD-VNQPRFMTSA-N	249.442	4.523	0	10	BJAE	
CC1CCC([C@](C)(N)C2=CCC(C)(C)CC2)CC1	2061111976	AWIUFHUCNNNOCS-KVULBXGLSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@](C)(N)C2CCC(C)CC2)CC1	2061115511	IBHDFPPLBLPFGB-KXJMLMMSSA-N	249.442	4.667	0	10	BJAE	
C=C=CCCC1(CNC2CC2)CCCCCCC1	2061566025	IPHZRGTXVWNXOP-UHFFFAOYSA-N	247.426	4.590	0	10	BJAE	
CCCN[C@H](C[C@]12CCC[C@H]1C2)C1CCCCC1	2061624519	YTVLYMHBSCMHGR-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC2CC(=C3CCC3)C2)C1	2061681571	AMFYDXFJHASQAB-CXAGYDPISA-N	248.410	4.598	0	10	BJAE	
CC1(CN2CC[C@]23CC[C@H](C)CC3)CCCCC1	2062765142	KKNRWHMHJXTQGV-WOVMCDHWSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)CC3CCCC3)C2)C1	2063207356	FMTDETCCSOKRFR-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCN(CC12CCC(CC1)CC2)C1CCCCC1	2065298408	QVBJQNNYCTWQSD-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCC[C@H](c2ccc(C(C)(C)C)cc2)N1	2066375469	KTXSJZPGRDSUPW-JKSUJKDBSA-N	245.410	4.577	0	10	BJAE	
CC[C@@H](N[C@H](C)[C@H]1CCC1(C)C)c1ccccc1	2068286369	FFIDSYIKESECQO-FVQBIDKESA-N	245.410	4.552	0	10	BJAE	
CC(C)c1cccc(NCC2C[C@H]3CC[C@@H]3C2)c1	2068744048	KWXSDCLSWTZGFZ-HZPDHXFCSA-N	243.394	4.658	0	10	BJAE	
CN[C@@H](C[C@H]1CC12CCC2)C1(C)CCCCCC1	2069204483	QGPPQUAGLCYSFO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(Cc2ccc3c(c2)NCCC3)CCC1	2069342764	SBTOLIOAARORAH-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC(C)C1(C[C@@]2(C3CC3)CCCCCN2)CCC1	2071954531	WIMCOYUNORGERZ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H]2C[C@H]12)C(C)=C(C)C	2072418755	VMBKTEPYVOOCOZ-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CCCC2(CC2)C1	2072424279	JPDJWPYJMXCILW-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@H]2CCCC3(CCC3)C2)CC1	2072664176	CHEIFZACMTWNNU-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
c1ccc(C2CC2)c(NC2CC(C3CCC3)C2)c1	2077265485	UUBAGFDBQHJIPS-UHFFFAOYSA-N	241.378	4.555	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2C[C@H]2C2CCC2)cc1	2079339116	YQOPVIMAWFCIKL-WBVHZDCISA-N	244.378	4.625	0	10	BJAE	
C[C@@H](CC1CCC2(CC1)CC2)[C@H]1CC[C@H](N)CC1	2082137403	SYXQQRADKRCQMQ-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
c1cc(N[C@H]2C[C@H]3CCC[C@H]2C3)cc(C2CC2)c1	2086160813	YIDOHGHAWFTCKL-NUTKFTJISA-N	241.378	4.555	0	10	BJAE	
O=C1CCCCC[C@@H]1CCCCCCC1CC1	2213580167	XTLOLVLVHKXISH-HNNXBMFYSA-N	236.399	4.886	0	10	BJAE	
FC1(F)CCC[C@@H](CC=Cc2ccccc2)C1	2213825497	URRWSYZPAPHLBU-CQSZACIVSA-N	236.305	4.915	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@@H]1CC[C@@H]1C	2214927567	VTNQSKUQOFGBFP-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1CC[C@@H]1C)NCC	2214960075	NJUQHHMZTOWVLS-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H]1CC1(O)CCCCCCCCC1	2214970242	IYRJWPCWDCMFKM-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCC[C@]1(CC[C@@H]2C[C@H]2CC)CCCCCN1	2215259554	ZBKDRRNYNCJQHG-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CCn1ccc2cc(Cl)ccc21	2215347466	XNZHPSLVSJNPSG-VXGBXAGGSA-N	247.769	4.731	0	10	BJAE	
CC1(C)CC(C)(CC(=O)CC(C)(C)C2CC2)C1	2215435652	WBAXMAPIOCZPEM-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C(=O)C2(C3CC3)CCCC2)c(C)s1	2215462449	HDEQJSRAWITWNM-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CC1=CC[C@](C)(CNCCCC(C)(C)C)CC1	2215824831	XSYSAKGWECSCAR-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC(C)[C@H](C)N(C)[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216255446	DFQJIWVWGVUKQG-RRFJBIMHSA-N	239.447	4.568	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@@H]1CC)C(C)(C)CCC	2216283498	SCUOLHNGVICYEE-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)C[C@@H](C)C(C)C	2217124684	JNYXUGHYKFRDCZ-OAGGEKHMSA-N	241.463	4.863	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1CCC[C@H]2C[C@H]21	2218726974	SPRSPNFRMIAYFJ-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
C(CCCN1CCCCC12CCC2)CCC1CC1	2218755412	RELYDKVZZWCQJT-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)CC=Cc1ccccc1	2219066170	LPHRBKUJTFJEOG-HOCLYGCPSA-N	246.394	4.523	0	10	BJAE	
C(CCCC1CC1)=C1CCNC2(CCCCC2)C1	2220038543	GZCFSFJJFSBDKM-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1C[C@H](CCCCC2CC2)Nc2ccccc21	2220043722	DUFRUKXVFKFVBR-HIFRSBDPSA-N	243.394	4.945	0	10	BJAE	
CCCCC[C@@H](C)O[C@@H]1CCNc2ccccc21	2220742835	CQRZURCEYIIVJA-CZUORRHYSA-N	247.382	4.529	0	10	BJAE	
CC(C)c1cc(NCCC2(C)CCCC2)ccn1	2220885930	RKFOADJAPFANEZ-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CCNC[C@]1([C@H]2CCC(C)(C)C2)CC=C(C)CC1	2221668212	OEAAIGUMBFWXKJ-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](Nc2ccccc2F)C1	2222254965	DTDFXGHGWOSYCL-QWHCGFSZSA-N	249.373	4.843	0	10	BJAE	
C[C@]12CC[C@@](N)(CCCCCCCC3CC3)[C@H]1C2	2223158967	LXEKTZKFCZBEGI-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCCC[C@](C)(O)CC[C@@H]1CCC[C@@H](C)C1	2242791625	VROXDOVUHQROOU-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1=CCCCC1	2243204773	WNONWJVPQFIIQF-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CCC[C@@H]1CCCC12CC2)NCC	2247598831	ALBZNNVSFHKXBE-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]([C@@H](C)[C@H](C)CC)[C@H](CC)CCC	2250361677	OVYVVCOOJNFTGW-QXSJWSMHSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@]12CCCC[C@H]1CC2	2251193165	DMEGENIIEJHULO-HRCADAONSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@@]12CCCC[C@H]1CC2	2251217445	GRXCVCQNQTYTMG-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)CC[C@H]1CCCCC12CC2	2253790212	GPBHARBDJXEYBT-CZUORRHYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C1CC1)[C@H](N)CC[C@@H]1CCCCC12CC2	2253823897	PDMKFDIPZBLAOA-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C[C@H]1CCCCC12CC2	2253832773	OBDVLALZYVJREP-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)CC[C@H]1CCCC12CC2	2255280632	CAODVHDTOICJLW-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(=O)CCCCC[C@@H]2C[C@H]2C)c(C)o1	2257284967	WPGYECUOSULEFV-BXUZGUMPSA-N	248.366	4.686	0	10	BJAE	
N[C@@H]1C[C@H]2CC[C@H]1C[C@H]2CCCCCCC1CC1	2257310994	KGXMSUHBTWROIZ-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(CC(=O)[C@@]23CCCC[C@@H]2CC3)CCC1	2260521468	QNZCIEBZLUYKNQ-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C[C@@]12CCC[C@@H]1CC2)C1(C)CCC1	2260581341	DELLDNYJNSIVFQ-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC(=C[C@]12CCCC[C@@H]1CC2)c1ccc(N)cc1	2260658597	QAHCHRJOSQQILN-NVXWUHKLSA-N	241.378	4.643	0	10	BJAE	
CCCC1(C[C@@H]2CCNc3ccc(F)cc32)CC1	2261347912	JASBQFGXFUVWCJ-LBPRGKRZSA-N	247.357	4.695	0	10	BJAE	
CCC[C@@H](CC)NCc1cccc(C(C)(C)C)c1	2261409917	WSMPGYLSEYSEPM-MRXNPFEDSA-N	247.426	4.652	0	10	BJAE	
C[C@@H](CC(=O)[C@@]12CCCC[C@@H]1CC2)C(C)(C)C	2298696302	ZVHFUVLQAYORPD-WOSRLPQWSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC1CCC1)[C@@]1(O)CCCC(C)(C)CC1	2298849743	GTAHUJIBKDYQRC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CCC(CC)CC)NC	2300676020	KJMUFQKBLPKPFL-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CCC[C@@H]1C(C)C	2300680010	YYQJVXGLESNHOT-OAGGEKHMSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CC[C@H]1C[C@H](O)CC2(CCC2)C1	2300686646	SWBXTCMHRDKXRG-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC1(CNC(C)C)CC=CC1	2300703869	LAYWFXLYIOMKFW-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1CCCCCC1	2300874350	JNCVXCPMYSHHRS-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC[C@](C)(C(=O)CC1CCCCCC1)C(F)F	2301139692	IQHYURZCXICLBJ-CQSZACIVSA-N	246.341	4.597	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)[C@@H](N)C[C@@H](C)CC(C)(C)C	2301843714	LKJAQENLQJIJGO-KBXIAJHMSA-N	241.463	4.704	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)CCC1=CCCCC1	2301925295	CPIKZTIZAQRVGE-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)[C@H](CCCC1=CCCCC1)NC	2302356030	ITMBFUOTGGSOPT-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@](C)(N)CC2CCC2)C1	2304437580	YQGZOVIGLWGENM-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CCC1)NC1(C2CCCCC2)CCC1	2308265045	CEKUAOLNBOCYNG-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC(CC(=O)[C@@]23CCCC[C@@H]2C3)C[C@@H](C)C1	2311132102	YFRUAIXMFRKQJG-YOKBYHGQSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@H]2CC[C@@H]3C[C@H]23)C1	2312669748	GUYGNOCMALUFKP-DRXUAVOGSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@@]12CCCC[C@@H]1CC2	2313292951	ZTWTXLXFVKXDCT-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)Oc1ccc(C(C)(C)C)cc1	2313663339	AWHPTQXXXHZMMK-ZDUSSCGKSA-N	246.394	4.942	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(N)(CC2CC2)CC2CC2)C1	2315439349	DBTLFMWKIQINBG-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2315951110	BTPUNFKTJYBNFJ-QAETUUGQSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)[C@@]1(C)C=CCC1	2317000365	BTLHJWIJWHTGRO-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
COc1cccc2c1ccn2[C@@H](C)[C@H](C)C(C)C	2317827931	ORGLIFCRCUUTPQ-OLZOCXBDSA-N	245.366	4.503	0	10	BJAE	
CNC[C@]1(CCCC2=CCCCC2)CCC1(C)C	2318575960	KJFYVDPQVXKNSM-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C[C@@H]2CCCC[C@@H]2N)CC1	2318951895	MJYRUWAFXXSBGX-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CNCC(=C[C@@H]1CCC(C)(C)C1)C1CCCCC1	2319007820	UQXRIQOELBLNBL-AWEZNQCLSA-N	249.442	4.539	0	10	BJAE	
CC1(CN[C@@H]2CCCC[C@@H]3C[C@@H]32)CCCCCC1	2319328993	LCGCKEFGZIYVHV-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)C[C@H]2CC[C@@H]2C2CC2)CCCCC1	2319491809	KEGGAIHKCLOULO-GDBMZVCRSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@@H]1CCC(C)=C(C)C1	2320339428	DNVCMTDFKUKOGV-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@H]2CC=CCC2)c1	2320567539	LORLBVIRIHPGLB-CQSZACIVSA-N	242.362	4.739	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CC[C@H](C)C[C@H]2C)c1	2321091049	HBGIYZNWAUWETN-HWWQOWPSSA-N	249.373	4.625	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)CCc1ccccc1	2328203276	ZPXFGPLOWADIGT-RDJZCZTQSA-N	248.410	4.587	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)c1ccccc1	35540565	IGRJUJSXGIEWGB-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CC[C@H](N[C@@H](C)c1ccc(C)o1)C1CCCCC1	52334853	BHAVASBGOLXPGE-ZFWWWQNUSA-N	249.398	4.598	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(OCCC)cc1	69378843	ZXEOTWVSZMOZKN-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
CCCCCC(=O)c1cc(CC)ccc1CC	70440121	CMGXEUTYIJAHMB-UHFFFAOYSA-N	232.367	4.574	0	10	BJAE	
Cc1cccc(C)c1Nc1cccc2cccnc12	82715920	QIMIQFBYKGVFBS-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccccc2Cl)CC1	83427129	DCVHTNORDBUBGV-RYUDHWBXSA-N	237.774	4.721	0	10	BJAE	
C[C@H]1CC[C@@H](C)[C@H](NC2CCCCCCC2)C1	85084404	CQKVTLREYBLNSN-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccc3[nH]ccc3c2)CC1	86879950	DTIQIRNOFCBHHB-JSGCOSHPSA-N	242.366	4.549	0	10	BJAE	
CCCN[C@H](CCC)c1cc2cccc(C)c2o1	88073828	BEMYOPCVFPFYAJ-CQSZACIVSA-N	245.366	4.582	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)c1ccc(CCC)cc1	92596320	KYBIFGUEDAKAEO-RHSMWYFYSA-N	247.426	4.521	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)C(C)(C)CC)cc1	104007465	KOVGXPBAJHGHBX-DOMZBBRYSA-N	233.399	4.636	0	10	BJAE	
Cc1[nH]c2ccc(Oc3ccccc3)cc2c1C	105913675	JVFNZBYAGAAPEH-UHFFFAOYSA-N	237.302	4.577	0	10	BJAE	
CC(C)(C)CNc1ccccc1-c1ccccc1	109750423	XQFUAJZHGKGLST-UHFFFAOYSA-N	239.362	4.812	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1ccc(C2CCC2)cc1	128699847	VIFGUGJVOUCDST-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(C2CCC2)cc1	128792011	SXNUHVRZDMEHLM-QGZVFWFLSA-N	245.410	4.924	0	10	BJAE	
CCCN[C@H](c1csc(C)c1)C(CC)CC	129479350	VZNRAGMSDPXGBS-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@](CC)(CN)C1CCCCCC1	129701527	XKCJWZMSISJGSG-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CCCc1csc(-c2coc3ccccc23)n1	132052578	CDWTZYDWYZYCTM-UHFFFAOYSA-N	243.331	4.509	0	10	BJAE	
CCN[C@@H](CCC(C)C)C1CCCCCCC1	159087398	WSMZALRNRAPBOY-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H](C)C(C)(C)C	162689110	NKECVCZCMYVRFZ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C1=CCCCCC1	167312171	DKYPHCVUIYJZLR-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@](CC)(C(=O)O)C1CCCCCC1	167582589	PBIPPQBLNNXIOC-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CCC[C@@]1(C2CCCCCC2)CCCCCN1	167807494	VPDVOEIUXHNMQH-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
O[C@@H](C1=CCCCCC1)C1CCCCCCC1	203586239	UVFAANXEVBOVOQ-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccc2c(c1)S[C@@H](C(C)(C)C)CN2	214912704	QXGZHHRFPSFWIU-CQSZACIVSA-N	249.423	4.742	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCCCC1CCCC1	225057631	NNRBNMNMUDZECI-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCC(=O)c1ccccc1C(C)(C)C	229452735	DYMWSAVLXPOFHU-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@H]1CCC[C@@H](C)C1	229456256	KOIASAOTKWQJNX-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CCCCCCc1c[nH]c2c(Cl)cccc12	232942941	RPBIIYXHXPQBAN-UHFFFAOYSA-N	235.758	4.944	0	10	BJAE	
CC(=O)Cc1cccc([C@H]2CCCC(C)(C)C2)c1	258392430	SRHDGCNDJSQGNN-INIZCTEOSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@H](C)[C@@H](C)C1	300689544	HQBQWTRXERMREZ-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)CCCC(=O)CC1CCCCC1	300886035	PCNJVZAERJFIGA-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cccc(C2CCC2)c1	302293165	CZDLJKSLZLBHIC-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@@H](C)CC(C)C	302430112	VGERGNWXNGEHHO-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1C[C@H](C(C)(C)C)CCC1=O	304580138	YHDRFSKSFZHQKQ-MJBXVCDLSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)c1ccc(C)c(C)c1	308003191	SXNFDLPMJRCZMC-DOTOQJQBSA-N	248.410	4.799	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC1CCC(C)(C)CC1)NC	310128770	KCUCUBVOKMVHOK-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCCCC[C@H]2O)CC1	310504921	KFQYZLNRHPCFJH-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)CC1(C)CCCC1)CC(C)(C)C	310567617	YFBWHNDGQKYPLQ-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)C2(CC)CC2)cc1	310617187	FKSPGNUNJWTHMD-BBRMVZONSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC(C)C)CC=CCC1	317618376	TZXIKIWUWIWHFG-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)[C@@]1(CNC(C)C)CCC[C@H](C)C1	317837461	KHACLIGWAXQUIW-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(CN)([C@@H](C)C(C)C)CC1	319066805	XXJGXPMTXOVHRM-FHERZECASA-N	239.447	4.604	0	10	BJAE	
CC[C@H](N[C@H](CC)C1CCC1)C1CCCCC1	322678066	JDTLKZJHIMLDOM-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)C(CC)CC	380248535	YQHLMFHLQOJFJC-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)c1cc2ccccc2s1	384070537	QTAJMNIFUDCJCB-XHDPSFHLSA-N	247.407	4.583	0	10	BJAE	
CC[C@@H](N[C@H](C)CC(C)(C)C)c1ccc(C)cc1	384889927	LJCHIEASKBZYHR-GDBMZVCRSA-N	247.426	4.860	0	10	BJAE	
C[C@@H](NCCC1=CCCCC1)C1CCCCCC1	385190068	OILVVOVMOTWQLA-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNCCC2=CCCCC2)C1	385264986	ZATNAXALIZAUPB-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	392965053	RJSKQUBRZXAQEV-QXKUPLGCSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C(F)(F)F)c(C)c2sccc12	396195803	KGJIMWBDDTZHPK-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCOc1cccc2c(C(F)F)c(C)sc12	396234651	DVNFVQUYTVIPKR-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1c(C)ccc2c(C(F)(F)F)csc12	396303132	LRVHZYMYQPNYPT-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1cc(C(F)(F)F)cc2cc(S)sc12	396310185	UKJDHWMAKVXVGM-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
C[C@@H]([C@H](N)c1csc2ccccc12)C(C)(C)C	399166331	KCEITMKCROIHLE-HZMBPMFUSA-N	247.407	4.583	0	10	BJAE	
C[C@H]([C@H](N)c1csc2ccccc12)C(C)(C)C	399166337	KCEITMKCROIHLE-YGRLFVJLSA-N	247.407	4.583	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCC(C)(C)C1CC1	405773635	ARNUGEFAVUOXDG-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)NCC/C=C/CCC(C)(C)C1CC1	405944548	BEINRPSFQMMSAW-VOTSOKGWSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CCNCCC1CCCCCC1	686307141	UMGRQPOMTQJVRE-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC1(CNC(C)(C)CC(C)(C)C)CCC1	687525238	JNVQPQPTJWQBKO-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)[C@H](C)C(C)C	688367066	DHTVZYLYLCUWJF-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)CC1CCCCC1	689831846	OJYCLNDAISGTBA-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@](N)(CC)CCC1=CCCCC1	690509932	DKXKGIYTZUEOBP-HNNXBMFYSA-N	223.404	4.565	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(O)CCC(C)(C)C	691127061	LLJAFBJODDQJPX-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C2CCC3(CC2)CC3)C1	695665841	FBDLNXNEDUYJIN-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C)[C@H](CCC(C)(C)CC)NCC	696648329	XWPQIVQILQZAIU-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cc(C)c(C)s1	696666506	VZBSGTRWCHYEOI-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)c1cc(C)ccc1C	696676251	ANRBDQLGRBOVFZ-QGZVFWFLSA-N	247.426	4.694	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C2CC(C)(C)C2)c1C	701503039	KFCZRWYOQDPGEP-UHFFFAOYSA-N	244.378	4.539	0	10	BJAE	
N[C@]1(C2CCCCCC2)CCCCC12CCCC2	704487295	MCRGVRBMSZJPTE-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCC1CCC(NC(CC)(C2CC2)C2CC2)CC1	704654905	FLPHBBLOLIMWDX-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@](N)(C[C@H](C)CC(C)(C)C)C[C@@H]1C	709142091	JBGQWVBOXDFXFT-ORIJERBGSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@@H]1CC=CCC1)C(C)(C)C	711199318	RVZTZQRLZSVVNL-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCCC1(C)C)C(C)(C)C	711218905	OOEZIGYYRUDEPH-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(CC)CNC(C)C	711276440	DNHRKDNUSFZUON-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CC[C@](C)(CNCC(C)C)CC(C)(C)C(C)C	713224059	YJCQOSSGBSDXAL-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
CC(C)[C@@H](NCCCCC1CC1)c1ccccc1	716395967	ATITWIXWSVWTSA-QGZVFWFLSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](CCC(C)=C(C)C)C1	718522281	YWUIDCIBWHMMSO-PMPSAXMXSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cc(C)ccc1Cl	721717695	CMAZFFXBJNHAAV-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1Nc1ccc(C2CC2)cc1	821906404	QLCNZTFBEVCSJP-LAQFHYBYSA-N	243.394	4.801	0	10	BJAE	
CCC[C@H](NCC[C@H](C)CCC)C1CCCC1	1207358561	WNVGYXXBHFXGNK-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C(=O)Cc1cccc(C2CCCC2)c1	1249920833	RYVCADFJVCAYJO-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC[C@@H](C)CS[C@@H](C)c1ccccc1	1559452908	FISOHSJTHYOSSI-NEPJUHHUSA-N	208.370	4.527	0	10	BJAE	
Fc1ccccc1OCCC1CCCCCC1	1613250148	DQYYCKJWMSKUQV-UHFFFAOYSA-N	236.330	4.565	0	10	BJAE	
CCC[C@H](C)SCc1ccc(C)c(C)c1	1643791079	HIZMTRSMASNRMO-ZDUSSCGKSA-N	222.397	4.725	0	10	BJAE	
C[C@@H]1CN(CCC2=CCCCC2)c2ccccc21	1654793596	RDRUFPPTTGDINJ-CQSZACIVSA-N	241.378	4.501	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H](C)CC1CCC1	1899366743	BUSWTUMAKLHGEH-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@](N)(CC)[C@H](C)CC1CCC1	1899419025	XDIGXMIGCDWQJT-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC(C)=CCC(=O)c1cccc(C)c1Cl	1900899759	FCUDFZUUBKHABM-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
Cc1c(F)ccc(CC[C@@H]2C=CCC2)c1Cl	1901174592	PVTSWPNJWZKTIP-LLVKDONJSA-N	238.733	4.686	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1CCC(C)(C)C1	1902378630	HWTYUHCOMVBABF-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCCc1c(Cl)cccc1Cl	1905217250	FWFFECCLOWMZAG-NSCUHMNNSA-N	229.150	4.892	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906542622	VPHGMQUYUILBKE-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	1911807573	NYDPZEVDBOEYCW-BZUAXINKSA-N	246.394	4.684	0	10	BJAE	
O=C(CCCC1CCC1)C1CC2(CCCCC2)C1	1912608799	HSBVDQNSOWWYGM-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
N[C@@H](C1CCCCCC1)C1CC2(CCCCC2)C1	1912647602	ZJXPKTFPXXQHRC-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@](C)(O)C1CCC(CC)CC1	1919978467	YZUNZLPTTBYVBE-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@@H](C)NCC1CC(CCC)C1	1921225812	UTOGSOXOEPTSOV-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(C(=O)CC[C@@H]2CC2(C)C)CC1	1921417662	DIUPMAFAIGLFNT-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@](C)(N)CC[C@@H]1CC1(C)C	1921564464	SCXUCHZDCMMKDS-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCNC[C@@]1(CCCC2CC2)CCCC12CCC2	1921644501	NWIQTCONLYYFMD-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@@H](C)C2CCCC2)c1	1924077611	GCSGMTIRQHNBSC-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CCCC[C@H](NCCC)[C@H](C)C1CCCCC1	1924148979	PRLXNOXMGABMLN-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CSCc1ccccc1C[C@H]1C=CCCCC1	1925825808	WTADNKSVFNHBQW-AWEZNQCLSA-N	246.419	4.839	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)C[C@H]1C=CCCCC1	1925924090	HQLLYCFTIMCLLT-UONOGXRCSA-N	238.415	4.556	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@@H]1C=CCCCC1	1925932528	FYGJQIGHWDWXJR-CYBMUJFWSA-N	249.785	4.807	0	10	BJAE	
CCOc1ccc(NCCC(CC)CC)c(C)c1	1926188089	ZDTZJHHTBSUZKX-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
Cc1cc(N[C@@H](C)[C@H](C)CC(C)C)cs1	1933232814	GZBZLUJFDXHPKK-PWSUYJOCSA-N	225.401	4.539	0	10	BJAE	
CCC[C@H](C(=O)C[C@@H](C)C(C)(C)C)C(C)C	1936209040	NKKPXIASRCRODV-OLZOCXBDSA-N	226.404	4.700	0	10	BJAE	
CCc1cc(C(=O)C[C@H](C)C(C)(C)C)cs1	1936772672	RZKWGIWTJHOGEL-JTQLQIEISA-N	238.396	4.566	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCC[C@H](C)CC1	1939902984	JGSIKRNBARZDJF-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
CN[C@H](CCCCCC(C)C)CCC1(C)CC1	1940788913	SNFRWHONSUIVJQ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
O[C@H](CCCCCC1CC1)C1CCCCCC1	1941576843	VSGWSHTUKAHHHC-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CN[C@H]([C@H](C)CCC(C)C)[C@H](C)CC(C)(C)C	1942654736	CUXQXRNLEFVESZ-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@@H](C)CCC(C)C	1942665704	ZWDZSMGWAVVJSN-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)CC1C[C@H](C)C[C@@H](C)C1	1944198186	FFBAKOFNEXGEJN-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1C[C@H](C)C[C@@H](C)C1	1944199490	NOFFGCDXUZOROH-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CCCCCC(C)C	1947527980	XSFXIXAALYTAHT-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CC=Cc1ccccc1Oc1ccc(Cl)nc1	1947811842	FSWXFSTXYPCPTL-UHFFFAOYSA-N	245.709	4.560	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(O)C[C@@H]2CCCCC[C@@H]2C1	1947844125	ZZRPSYMBNWXDGO-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1c2ccccc2NC[C@@H]1C	1949113524	YMJSOKPEPAPTPO-XEZPLFJOSA-N	231.383	4.514	0	10	BJAE	
CCC(CC)CNC[C@H]1CCCC(C)(C)CC1	1950922112	LRDYZFBJXQIIFX-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@@H]1CCC[C@H](C)CC1	1950925849	XGHHTKQDINKSKJ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1cccc(-c2cc(C=O)cs2)c1	1951260333	KQSVQBLXKWPTMI-UHFFFAOYSA-N	244.359	4.525	0	10	BJAE	
CC(C)=CCC[C@]1(C)CCCC1(F)F	1956822238	SAQXIIIHCZKWII-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
CCCC[C@@H](C)NCc1ccccc1C1CCC1	1967776898	CEPBZQRKGPGLNL-CQSZACIVSA-N	245.410	4.622	0	10	BJAE	
CCCCN(CCCC)CC1(C)CCCCC1	1970446944	FSOKEBAWPQCTRT-UHFFFAOYSA-N	239.447	4.859	0	10	BJAE	
C[C@H]1CCCCCCN1CC1CCC2(CC1)CC2	1970731016	YWQALAGEVKRNHX-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1(CN[C@@H]2CCCC3(CCC3)C2)CCCCC1	1971295954	LUQYKJWWBAUNKU-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1CCC[C@H]1C1CC1	1973479665	RCMXLVMZVGOFDO-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](CC)NC[C@@H]1CCCCC12CCC2	1973671471	CTFGPXTUCKYWFS-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(=O)[C@@H]1CCC[C@@H](CC)CC1	1976343011	RXOFBQHQSHYSLT-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1cc(C(F)F)cs1	1977099304	JXUNDJZSIASNML-UHFFFAOYSA-N	246.322	4.551	0	10	BJAE	
CCC[C@H](C)CC[C@H](NCC)c1cccs1	1980692489	NCOWUPUNRNKBIX-STQMWFEESA-N	239.428	4.615	0	10	BJAE	
C[C@H]1CCC[C@@H]1n1ccc2c(Cl)cccc21	1982610678	CYNMULKMRHRDCU-GWCFXTLKSA-N	233.742	4.656	0	10	BJAE	
CC=CCCC[C@@H]1CCC(C)(C)CCC1=O	1984588524	CXIHDFZSKRRNLD-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
c1cc(C2CC2)c(CC2CC(=C3CC3)C2)s1	1985536032	CGWLAUKEVGPGMZ-UHFFFAOYSA-N	230.376	4.668	0	10	BJAE	
Cc1c(Cl)cccc1C(=O)C[C@H](C)C(C)C	1988300654	RXWOSUGNTSUQFT-JTQLQIEISA-N	238.758	4.513	0	10	BJAE	
CCC[C@@H](C)[C@@](N)(CC)C1CCC(C)(C)CC1	1996592959	DXTWUVCHHAFSKA-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)CCC2CCC2)C1	1998047296	JFXJEEMEDQFAGW-NHAGDIPZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CCC=CCCC1)C(C)(C)C	1999985155	GOSKSOLRVGLHPZ-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
CC[C@@](N)(C1CCCC1)[C@H]1CCCC(C)(C)C1	2000058627	OPXQRHIRUNNUGC-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2000214888	KLLSMKUQKZANBK-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H]([C@H]1CC[C@H](C)C1)C(CC)(CC)CC	2000375665	FMLPNWFZRVEAIG-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](NCCC)C1(C(C)C)CCC1	2000389284	BNNJXHYNLNVOHV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CN(CC)CCCCCC1CC1	2000900042	JHMCGMLMMGIKKQ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2001484849	BOBBRQBAFWMVHL-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C[C@H]1CCC12CCC2	2001849885	BHBDYAWTQIXQDT-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@@H]1CCCC(C)(C)C1	2002980601	YMZLLLXWZDJIEZ-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)C[C@@](C)(O)[C@H]1CCCC(C)(C)C1	2003003233	BVCRMDHYSXHQOX-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](N)C2CCC2)CC1	2003067967	ZGVZMXKYIYMGJA-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H]1CCCCCCC[C@H]1NC	2003110387	CTXDUXWQFMNLHC-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H]1CCCCCC[C@H]1CCC(C)C	2003115780	DGETVLUGYHPQBD-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCCC[C@H]1N(C)C1CCCCCCC1	2003169840	MYFCQYYGHSYEGY-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCCN[C@H](CC)CCC1CCC2(CC1)CC2	2003210296	CRJHJLWIFHSHII-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@]1(C)C=CCCC1	2003326656	OHDJZJXYPJOSQW-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
CC(C)=CC[C@@]1(N)CCC[C@@H](C(C)(C)C)CC1	2004227237	RQBKOOUZMBGBIN-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@](CC)(CNCC(C)C)C[C@H](C)F	2007843008	LEHGNIQKAVYTPP-GJZGRUSLSA-N	245.426	4.567	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(CCC2(C)CC2)CC1	2009545190	XJUZBEIWRDXDAV-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@](C)(N)C1CCC(CC)CC1	2009577621	MJDKRQYBQAXTRQ-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CCCC1CC(N[C@H]2CCCCCC2(C)C)C1	2009719352	ISLXQQHUPFQPSL-NRXISQOPSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CC1=CC[C@@H](C)CC1)c1cccs1	2010626206	QHNKYILRXGGYRE-TZMCWYRMSA-N	249.423	4.535	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](C[C@@H]2C=CCCCC2)C1	2012097269	YNYCRRGEAGJJAN-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@H](C)C(C)C	2015270699	KZMFYCGJFGSOKC-XJKSGUPXSA-N	234.383	4.526	0	10	BJAE	
CCC(C)(C)CCC(=O)C1(CC2CC2)CCC1	2015747495	OUQYOSHKFBYMSS-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@](O)(C(C)=C(C)C)C1CCC(C)(C)CC1	2017483781	DIXDNLLWZMELFW-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H]1CC[C@H](CNCC[C@H](C)CC)CC1	2017663868	ZMLJACVATPJVNA-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC(C)(C)CCF	2019188056	GXMYADLQXPYJHB-AWEZNQCLSA-N	245.426	4.520	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C[C@@H](C)C(C)(C)C)C1	2019198943	JNSBNUJFUKKDAT-KFWWJZLASA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CCC1=CCCCC1	2019767855	MDLQCTPFICEQJH-ZBFHGGJFSA-N	238.415	4.844	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCC(C)(C)[C@H]1NCC	2020364505	RABSEFRNDBEEDW-ZWXLGZMVSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1C[C@@H]1C1CCCCC1	2022434251	KRXHOCUAQKNGRU-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C1(C)CCC(C)CC1	2022556949	JXKKGGFWRSACJF-MYMJJRTCSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@@H](CCCCC(C)(F)F)NC	2023280557	XGPXMVQOLMETNH-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC=C(CC)c1ccccc1[C@H](C)NCCC	2025225910	WZKVLMLUSQXPOT-ZDUSSCGKSA-N	231.383	4.561	0	10	BJAE	
Cc1cccc2c1ccn2CC1(C)CCCCC1	2027276731	VAJLTPOGXVATEL-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CC1(CC(=O)[C@@H]2CC3CCC2CC3)CCCCC1	2027294680	BXAKTTKNTXBMJY-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)CC1(C)CCCCC1	2027312700	YDEBGJJCYRDSIF-HNNXBMFYSA-N	246.394	4.697	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1ccc(C(C)(C)C)cc1	2028228823	CBFMHTSUEQEBLN-HOTGVXAUSA-N	248.410	4.700	0	10	BJAE	
CCc1ccccc1[C@@H](O)[C@H](CC(C)C)C(C)C	2028234612	IAORIBPMHSTCLR-IAGOWNOFSA-N	248.410	4.601	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1ccc(C2(C)CC2)cc1	2028612887	UBBWUBYICFZHGU-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
O[C@@]1(C[C@H]2CC=CCC2)CCCC12CCCCC2	2028875133	CYSRGZLRSUJCLC-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(N)CCC3(CCC3)CC2)C1	2032251039	IOAJCHBRHSLXMG-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC1(C)C([C@@]2(N)CCCC23CCCCC3)C1(C)C	2034039315	ILSDRUACGCMAAV-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@H]1C[C@@H]1C=CCCC1	2035602987	XTWOHNCFIAFCPX-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2C[C@H]3CCCC[C@@]3(C)C2)C1	2036664950	MVAUIEFSYOJPEG-DLTWYDFYSA-N	249.442	4.514	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@H]3CC[C@H]2C3)CCCCCC1	2037076293	VJSFCCNYJCUMLZ-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC([C@@H](N)CCC2=CCCCC2)C[C@@H](C)C1	2037172353	LUHURFNNZTYQHC-ZQIUZPCESA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@@H]1C=CCCCC1	2037273388	RJBGMSYFFYUBBA-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccc(N[C@H]2C[C@@H]3CCC[C@@H]3C2)cc1	2038623048	QTMSDCGRPJXPQJ-SCAQPMJSSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N)([C@@H]1CCC1(C)C)C2	2038901103	RWDIDHDZBZEGPR-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)[C@@H]2CC23CCCCC3)C1	2039088786	NQBSGJWVCWWZGQ-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@H]2C=CCCC2)CC1	2039386060	QYQJIMOENCNGJO-RDJZCZTQSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@@H]1C(C)=CCC[C@@H]1C	2039439916	BMEWHPVTJBQBRK-NNXHMXCWSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC2(CC([C@H](N)CCCC3CCC3)C2)C1	2039460042	KVACZFSSBRUHGJ-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NCC1=CCCC1)C1CCC(C)(C)CC1	2040679950	GMQQYPXPNIWOSS-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@@H]1CCC12CCCC2	2043190291	IEZQOGGMQQAXGG-GDBMZVCRSA-N	247.426	4.578	0	10	BJAE	
CCC1(C)CC([C@@H](N)C[C@@H]2CCC=CCCC2)C1	2045329067	KWIYFTDTCBVEIZ-GYXIZQIFSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](Oc2ccc3[nH]ccc3c2)C1	2045460579	QDYSRFIZASAASX-AWEZNQCLSA-N	243.350	4.516	0	10	BJAE	
C[C@@H]1CC[C@@H](N(C)C2CC3(CCCCCC3)C2)C1	2046330338	VODJEZBSUCTYCB-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CCCC[C@H](C=C1CC[C@@H]2CCCN[C@H]2C1)CC	2048079163	XARYLLYMRWXYSV-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C(=O)C[C@H]1[C@H]2CCCC[C@H]21)C1CCCCC1	2048471870	QFGTUMZEBWWFCP-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1(C)CC1)[C@]12CCCC[C@@H]1CCC2	2048876815	JRYQNRSPMYJVOA-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049218368	FUBYFQUZUGEDKX-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CCCC(C)(C)C1	2049498452	LJTAPEWYSHWXPV-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@H]1CCCC(C)(C)C1	2049500550	FHSTXJXUJKCHRT-JKSUJKDBSA-N	249.442	4.703	0	10	BJAE	
C[C@H](N[C@H]1CC12CCCC2)[C@H]1CCCC(C)(C)C1	2049539219	FPIPJUHZOZJIGF-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C1CCCCC(NC[C@H]2CCCC23CC3)CCC1	2049679487	WOFWGXAXSWYBDA-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC([C@](C)(N)C[C@@H]2CCCC3(CC3)C2)C1	2049863935	IARMVDQJTWSQEM-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(Nc2cc(C)ccc2F)CC1	2051590025	REBRRQOBXJXUBR-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CCC1(CC)CCC(N(C)C[C@@H]2C=CCC2)CC1	2051646642	UNJINIXBYSBDDM-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@H]1CCCCC12CC2	2053347011	RQLCVFKGBCFVNG-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CNC[C@@]1(CC2(C)CCCCC2)CCCC12CC2	2053357755	ITEALAALWXAOLR-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)(CCC(=O)[C@H]1CCCCC12CC2)C1CC1	2053358532	PPTFZHWOYVDRBI-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@@]1(N)CCCC2(CCCCC2)C1	2055301502	OBZNLSCAKUJWJH-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@@H](N)C2(C)CCC(C)CC2)cc1C	2056562360	KTZPLSYTNXFTBB-PTXATLKXSA-N	245.410	4.520	0	10	BJAE	
CC(C)C1(C(=O)CC2CC(C3CCC3)C2)CCC1	2056674622	BITRDDXRRLEHBF-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(C(=O)CC2CC(C(C)C)C2)c1	2056674823	DTMIURPLOXLDCA-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H]1CCC[C@@H](C)C1	2056880104	ZMKFJBZVLRJBLY-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CC[C@@]23CCCC(C)(C)C3)C1	2058156177	PANXJXLAAMABCA-HLLBOEOZSA-N	249.442	4.610	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2059266272	DUDBEYXDWAAXTQ-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C2=CCC(C)(C)CC2)C1	2061112646	HZMFJJQFZOXXLM-DYVFJYSZSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)CC12CCC(CC1)C2	2065340489	WQJBSQDHSQPKDP-RKHAHWSXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068704705	QZWNJWWYMKQSMX-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)c1cc(C)c(C)o1	2068915757	XMESBUKCCIVARX-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2070945277	YCDRMZRILLJWSD-RUCLQGLUSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CC[C@H]3CC[C@H]2C3)CCC1	2071941209	QWOBDGRMVDFQRW-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
C=CC=CCCN1CCC[C@@H]1C1CCCCCC1	2071968775	KHNBYXPHRDGBQJ-QGZVFWFLSA-N	247.426	4.554	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)C1CC2(C1)CC(C)(C)C2	2072421547	AKGAYXXZTBPJBY-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@@]2(N)C=CCCC2(C)C)CC1	2072815996	RBFLTIILGSUCEU-DQPZFDDXSA-N	249.442	4.667	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@@H]1CCCCC1(C)C	2074804373	KNMSPVDFPRORAR-HZPDHXFCSA-N	249.442	4.776	0	10	BJAE	
CC[C@H]1CC[C@H](C=C[C@@]2(C)CNC(C)(C)C2)CC1	2078850507	QOTCOOYVPYYKAR-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@H]1C[C@H]1C1CC1	2079339152	YVERIQDRDVEQSS-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2C[C@H]2C(C)(C)C)c1C	2079850291	DURBTTUGQMCKJL-UKRRQHHQSA-N	244.378	4.558	0	10	BJAE	
C[C@@H]1C[C@@H]1CC(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2079862648	IYZVOCMCBOGCHY-MMTVNHQJSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C[C@]2(N)CCC[C@@H]3CCCC[C@H]32)C1	2081134791	XJQNJYXKLZIPEF-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC(=C2CCCNC23CCCC3)C1	2083816043	NVQAVBYCMFEYTK-CQSZACIVSA-N	247.426	4.579	0	10	BJAE	
Cc1csc(C(=O)CCCC(C)(C)C)c1C	2210578563	OQFBMNOXTZTCDG-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
F[C@@H]1CC[C@@H](CCC=Cc2ccccc2)C1	2210661946	HMKWDYBPAXOZGN-HUUCEWRRSA-N	218.315	4.618	0	10	BJAE	
CCCC1(C(=O)CCCCCCC2CC2)CC1	2213580875	PTXHHUFIVFTTAX-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@@](C)(NCCCCCCC1CC1)C1CC1	2213581862	BGKLAYVZANDAPF-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CCCCC1CC1	2214565909	QTWDBQYWLCNLTN-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)CC(F)(F)CC	2217126999	GINLBOOCJGYNFI-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCCCCC1(CN[C@@H](C)CC)CC=CC1	2217130178	RBWDXVKNSLDBBK-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(CNC1CCC1)C(C)C	2217140961	KXWHUBHFQLHWKY-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@H]1C1CC1	2217239716	DXROBQYTCQIVML-DZGCQCFKSA-N	249.785	4.503	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1CCCC12CCC2	2218718487	ODQNGQUHALMVRR-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCc1ccc(C(=O)CCCCCCC2CC2)o1	2218728275	YPNSMRCHIKOXBM-UHFFFAOYSA-N	248.366	4.775	0	10	BJAE	
CCCC(CCC)[C@H](N)CC=Cc1ccccc1	2219089583	DAXJGYNNTFVHNY-QGZVFWFLSA-N	245.410	4.634	0	10	BJAE	
Cc1cc(C)c(C(=O)CCCCC2CC2)cc1C	2220014487	UAMORRBXROXWAM-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H]1c2ccccc2NC[C@H]1C	2220921681	ZSLBMOLXCPEQOB-KBXIAJHMSA-N	243.394	4.658	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC2CCC2)CC12CCC2	2223560912	RFLXANDKRZLJOH-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC1CC([C@@]2(CN[C@H](C)CC)CC=CCC2)C1	2223603518	ZORCDGQUXARMEY-VXLLPVPCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1ccc2occc2c1	2224145231	VIHPSSVYNPPDEG-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
C1=C[C@@H](Cc2cc3ccccc3s2)CCC1	2242924613	RLKIMEHTGOJWGW-GFCCVEGCSA-N	228.360	4.800	0	10	BJAE	
CCCC[C@H](C)Nc1c(F)cc(Cl)cc1F	2243355770	WRVTZIFCTWYADV-QMMMGPOBSA-N	247.716	4.609	0	10	BJAE	
Cc1cc(CC2=CCCC2)cc2ccsc12	2243750239	BBLUIEURXLYUJD-UHFFFAOYSA-N	228.360	4.863	0	10	BJAE	
CCC[C@@H](CC[C@H]1CCCCC12CC2)NCC	2246628415	XZPZHGQEANGYSO-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC1(NCCCC[C@H]2C[C@H]2C)CCCCC1	2247095694	ZDWVZKAGNQWRIT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H]1CCC(C)(C)CC1=O	2247121056	OXKHANQDPDPLDC-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCc1cc(Cl)ccc1NCC1=CCCCC1	2247509042	DZKOEXOKSPIMLE-UHFFFAOYSA-N	249.785	4.815	0	10	BJAE	
CC(C)C[C@H](C)N(C)CCCCC[C@@H]1C[C@@H]1C	2248839392	CPPDRQMGQQCOIX-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)[C@H](C)C(C)(C)C	2248841754	OZHQVYRAJGZWMC-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCC(=O)CCCCC[C@H]1C[C@H]1C	2248879662	NYFATMRRGZZXFF-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
Cc1cc(NCC2CCCCC2)cc(C)c1C	2249488563	XWEHCIYAICWATH-UHFFFAOYSA-N	231.383	4.604	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CCC[C@@H](C)CCCC(C)C	2250472080	BUXKDWFFWBJUCB-XHSDSOJGSA-N	241.463	4.993	0	10	BJAE	
CC(C)[C@H](C)N(C)[C@H]1CC(C)(C)CCC1(C)C	2251723084	XIPDWLXCRODMCT-KBPBESRZSA-N	239.447	4.568	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@H]1CCCCC12CC2)NC	2253817462	KTCNLKNUUFFNNV-WNEUIUNWSA-N	249.442	4.681	0	10	BJAE	
CC1CC2(C1)CC(Nc1ccc(C3CC3)cc1)C2	2254217564	KLGQGRCUNDYAHB-UHFFFAOYSA-N	241.378	4.555	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCCC[C@@H]2C[C@@H]2C)c1	2254592684	NWRLYAOPBILMLE-ZMSDIMECSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1CC2(C1)CC2(C)C	2254597743	XVTJLOBZJAFSBX-YFTKNLTDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@H]2CCC23CCC3)C1	2254968967	PDUYTNRVOIETJM-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(CN)(C[C@H]2CCC23CCC3)CC1	2255025513	OIYNTNBHVYPBEJ-CQSZACIVSA-N	249.442	4.502	0	10	BJAE	
N[C@H](CC1=CCCCC1)C[C@@H]1CCCCC12CC2	2255065481	VZDGDIHZTATXTQ-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CCCCCc1ccc(-c2cccc(C)c2N)o1	2255939715	CRFGDFYNVJXSQM-UHFFFAOYSA-N	243.350	4.570	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCCC2(CC2)C1	2256143191	AGLJDCFBRFIHRK-ZDUSSCGKSA-N	247.357	4.523	0	10	BJAE	
CCc1ccc(C(=O)CCCCC[C@H]2C[C@H]2C)o1	2257363491	YPAQIUZDMKDKMS-OLZOCXBDSA-N	248.366	4.631	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]23CCCC[C@H]2CC3)C(=O)C1	2260654998	BBQZYMBHHLYLKV-KEYYUXOJSA-N	248.410	4.742	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298438444	CRNCLFQUKQASJN-SNPRPXQTSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC1CCC1)C1(O)CCCCCCCC1	2298855172	SWDURJKARYIZLG-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@](C)(CC)C(F)F	2299838146	JYZXWNUUOUSIMF-RISCZKNCSA-N	248.357	4.843	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H](CC)CC[C@@H]1NC	2300684184	RAWJCDUXOGDYAH-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CCC(CC)CC	2300688035	JFVMZNJPHUIAIS-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCC1(O)CC(C2CCCC2)C1	2300689239	WBIGZNVIJWVCMH-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@]1(N)CC=C(C)CCCC(C)C	2300898152	ATZWTMIFJUKRRQ-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC([C@](C)(O)CC2CCCCCC2)C1	2301134855	CXWYEUHCYHYOQR-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC2CCCCCC2)C1	2301143191	RBNVQFNAQTYRTN-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@H](C)[C@@H](C)C(C)C	2301686552	WBDSRXIJBYZGDU-LSDHHAIUSA-N	241.463	4.717	0	10	BJAE	
CCN([C@H]1CCCC1(C)C)[C@H](C)[C@@H](C)C(C)C	2301978927	RVOCCYRWPOKNIK-ZNMIVQPWSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@H](C[C@H]1CC(C)(C)[C@@H]1C)NCCC	2302139485	MKJIVMGFWDMCJB-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)(CC[C@H](N)CCCCC1CC1)C1CC1	2302570104	UJAUTWWCDUPTPU-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@@H]1CCC(C)(C)C1	2302713839	SGYAVHYRZDQNAD-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)C(C)(C)C	2303580032	QOSREHVOFDRIES-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@]2(C)CC2(C)C)CC1	2303586012	ZAIMQMMZVPATMN-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)CC[C@H]1CCC(C)(C)C1	2304408046	LAJVZHFACFNYAM-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@H](C)CCC[C@H]1CCC(C)(C)C1	2304408764	BMOMWFRUZSBLDD-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@](C)(C[C@@H](CC)CCC)C1CC1	2307832291	RRFXHUOGLOPBOO-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CO)CCC=CCCC1	2307874084	GGTRXYOWFHXGME-JKSUJKDBSA-N	238.415	4.702	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@H](NCC1CCCCC1)C2	2308400928	QZJJPFDGXREFII-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2311717436	BVPUPCDXYDQZFS-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312904683	DVZTWPPUGCMLRW-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)[C@H](C)CC2CCC2)CC1	2313597681	QKYYNBUENIFFRM-NVXWUHKLSA-N	249.442	4.633	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1[C@H]2CCCCC[C@H]12	2316501230	FZQCSYUPARAEPP-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316696738	CXXDDBQTIJBLLS-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCCCCC1)C1C[C@H]2CC[C@H](C1)C2	2316884778	JPLHUZGVILTLHL-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C1CC2(CCCC2)C1	2317008151	QTYZCONRZJAJST-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C[C@H]2C[C@H]1CC21CC1	2317180796	RKAXQJOJXBOKIP-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC(=C1[C@H](CN)CCCC12CCC2)[C@@H](C)C(C)C	2317820116	MHLFYXDFEMKELW-ZFWWWQNUSA-N	249.442	4.524	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@@H](C)[C@H](C)C(C)C)c(C)c1	2317822244	AHZTXKGZYUSTQQ-VYDXJSESSA-N	247.426	4.540	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)CCC2=CCCCC2)C1	2317909701	IKDJDIOJJNRTRL-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
CCCC1(C[C@@H](CCC2=CCCCC2)NC)CC1	2317978998	GKGLTJRULKLZKO-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N)[C@@H]1CCCC1=CCCCC1	2318537657	FXNMAIDHVHJRAX-WTTBNOFXSA-N	249.442	4.667	0	10	BJAE	
O[C@@](CCCC1=CCCCC1)(C1CCC1)C1CC1	2318556685	CRGVKLBOWKJDKK-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCC1=CCCCC1)C[C@H]1C[C@H]1C1CC1	2318579882	IZGIKJGHHPOHIH-RDJZCZTQSA-N	246.394	4.662	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)c1cc(C)co1	2318589899	VLMHXBMQKCYFNQ-OAHLLOKOSA-N	247.382	4.519	0	10	BJAE	
C[C@]1(C(=O)CC[C@@H]2CC[C@H]2C2CC2)CC=CCC1	2319742164	UTTZQLLXZDWEND-ZOBUZTSGSA-N	246.394	4.518	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1CC[C@H]1C(C)(C)C	2320255049	UCWRPXIKYOIVOU-HUUCEWRRSA-N	246.394	4.755	0	10	BJAE	
CCc1ccccc1NC[C@H]1CC[C@@H]1C(C)(C)C	2320319371	FYTQBNDLPLSVPY-CABCVRRESA-N	245.410	4.733	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1CC	2320399631	XXXCPCRMPPRBEN-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)c2ccccc2C)CC1	2320399709	SYZIMRFBEVTNKY-HNNXBMFYSA-N	242.362	4.704	0	10	BJAE	
CCC[C@@H](CC)Cc1ccc2c(c1)CC[C@H](C)N2	2328184889	CAVOVVLGNSUHDL-UONOGXRCSA-N	245.410	4.802	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccc(Cl)cc1Cl	20556497	YVYCCKZWSHGOEK-DTWKUNHWSA-N	246.181	4.840	0	10	BJAE	
CC(C)CCC(=O)c1ccc(F)c2ccccc12	70372630	QWFPRXKCNRQRHB-UHFFFAOYSA-N	244.309	4.598	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(F)c(C)c1	71106683	DEZMKZGKQHWKIC-GFCCVEGCSA-N	223.335	4.515	0	10	BJAE	
CC(C)c1sc(-c2ccccc2)cc1[C@H](C)N	77098267	VREGOGZPUUDCCZ-NSHDSACASA-N	245.391	4.558	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(O)CCC(C)(C)CC1	79657239	MIGZQQMFHBXVMJ-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccccc2C(C)C)C1	80426281	MKHUKFXMYLZANJ-KGLIPLIRSA-N	231.383	4.801	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C3CC3)C2)c(C)c1	81623133	CKMRKOZUZPQCBS-CVEARBPZSA-N	243.394	4.684	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)C1CCC(CC)CC1	85081078	WXMPSBDUYZJVRL-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCCCCOc1ccc(C(C)C)cc1	85151339	LIQCHKYVJPSZPB-UHFFFAOYSA-N	220.356	4.769	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H](C)[C@@H]1C)c1ccccc1	86073238	UIKQWHSGHVLMLP-DIECFANBSA-N	245.410	4.552	0	10	BJAE	
CCN[C@@H](CCC(C)C)C1CCC(C)(C)CC1	87943070	OBBUWBHSNYNIQK-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)n1c(=S)[nH]c2ccc(C)cc21	94660038	MKNGSPQUDXXAOZ-WDEREUQCSA-N	248.395	4.614	0	10	BJAE	
CCN[C@@H](c1ccc(C)c(C)c1)C1(C)CCCC1	94900216	QLUFAPLBTPTFNZ-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CCC)CNC1CC1	110184734	CZMDPAUMBNUSSI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1ccccc1CC	125097480	OASOXTXWNRIXQK-RHSMWYFYSA-N	247.426	4.855	0	10	BJAE	
CCc1cccc([C@@H](O)C[C@@H](C)CC(C)(C)C)c1	132897774	IPJBCMREJWCDLJ-CJNGLKHVSA-N	248.410	4.745	0	10	BJAE	
CCCC[C@H](CCC1CCCCC1)NCCC	158299313	COMJUSUCGZUAKA-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccc2ccccc2c1	163825930	PGJUKBJIJATURG-DYVFJYSZSA-N	239.362	4.830	0	10	BJAE	
CCCCC1CCC(C(=O)CC(C)C)CC1	167756959	YVPSSGIQVMZYDY-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)NCC1(C2CCCCC2)CCCC1	168017497	UMJJXRHTPLXCCX-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1[C@@]1(C)CCS1	211392822	BPKKFGUYEOGHAZ-OAHLLOKOSA-N	234.408	4.645	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCC[C@H](C)[C@H]2C)c1	227003624	ADTNTLUDPWQUCA-CFVMTHIKSA-N	231.383	4.540	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1cc(C)cc(C)c1	229493223	NAAAZNUNZUEYMS-MRXNPFEDSA-N	233.399	4.520	0	10	BJAE	
CCCCCC[C@@H](C)NCC1(CC)CCCC1	232938246	CCIYUTFGMXLQDV-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC[C@]1(C2=CCCCCCC2)CCCCCN1	234117061	ZTSUXLFVZPONEC-MRXNPFEDSA-N	235.415	4.579	0	10	BJAE	
CC[C@@H]1C(=O)[C@@H]2CCCCCCCCCC[C@H]12	251487277	CTIBTCIYJOHPPQ-RRFJBIMHSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCc2ccccc2C1=O	302298967	MNZLZURSRIJEHE-AWEZNQCLSA-N	244.378	4.648	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1/C=C/CCCCC1	302548259	ZPMCNBYUWYRMET-PWEFJHHISA-N	237.431	4.680	0	10	BJAE	
Cc1c(C(F)F)cc2ccsc2c1Cl	307529023	NUQGTFYHMRMWHK-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CSc1c(Cl)ccc2scc(C)c12	307561586	TUPFAUANYPSPMB-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CC1CCCCC1	308038707	XSBSNGFBSSZGMT-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1ccc(C)s1	308100870	FBRBFMJFZDLRNG-GFCCVEGCSA-N	238.396	4.702	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)CCC1CCCCC1	310069504	SQOBWJKGMPODRN-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C(C)(C)C(C)(C)C	310367253	WOCCNKRXQYBITP-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNCCC2(C)CCCC2)C1	310998238	HWSDWMGSXRIOTP-GOEBONIOSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C=O)cc1-c1ccccc1C(C)C	311113264	VTYJLFBVYOBBAZ-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CCC[C@H](NCC1(C2CC2)CCC1)C1CCCC1	313408220	LTABSTYPNAJIPN-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](N[C@H]1CC[C@H](C)CC1)C1CCCC1	313438233	XBWOTGIPYSEZTA-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CCC(CC)C[C@@]1(CNC)CCC[C@H](CC)C1	316888288	MWRUBNOURHDXAQ-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
C/C=C\C[C@]1(CNCCC)CCC[C@H](CC)C1	317563383	AIYALHXJJRZPCQ-GTEGOMCXSA-N	237.431	4.539	0	10	BJAE	
CCCNC[C@](C)(CC)[C@H]1C=CCCCCC1	318374985	BMEHWTGEVLHKJZ-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)[C@@H](C)NCCCCCC(C)C	383195661	XRSKNAPEOSZBKI-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(C)(C)CNC(C)(C)C)C1	383506647	KKIRMHRAMBFMPE-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CC1CCC(C)(C)CC1	383711971	UFYILXPJPMNHPI-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](C)c1ccc(C2=CCCCC2)cc1Cl	383860249	CMUBYPDTUZKZCP-NSHDSACASA-N	249.785	4.578	0	10	BJAE	
CSc1ccc(N[C@@H](C)CC(C)(C)C)cc1	384633606	ROWWBLFIJQEDIB-NSHDSACASA-N	237.412	4.645	0	10	BJAE	
CCCc1cccc(C(=O)[C@H]2CCCC[C@H]2C)c1	385039869	RASRJRXNSVPQMK-CJNGLKHVSA-N	244.378	4.648	0	10	BJAE	
CCOc1ccc(N[C@H](C)CCC(C)(C)C)cc1	385368803	NHXMGGDRBBTWEZ-CYBMUJFWSA-N	249.398	4.712	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C1(C)CCCCCC1	394549567	ALTAZKDNNNDSQL-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)[C@H](C)NC[C@@H]1CCC[C@@H](CC)C1	394566780	MOQSMRGYAWEXRM-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)NCCC1CCCCCC1	394630736	PVEWINDVXLXGID-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
Cc1cc2ccc(C(F)(F)F)c(S)c2s1	396295558	GFWJKTCNQZYYIJ-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC[C@H](NCC(CC)(CC)CC)[C@@H]1CC1(C)C	397724734	YHWTXJPDVQXLCI-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCN[C@H](C)c1ccc(C(C)C)cc1	397783981	XMMGGMKPZARWAE-OAHLLOKOSA-N	245.410	4.817	0	10	BJAE	
Cc1cc(O)c(C)c(-c2cccc(C(C)C)c2)c1	686551739	MKUFAROIYUMYNS-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
Cc1cc(C)c(NCC2(C(C)C)CCC2)c(C)c1	687269511	YXQDKJCVCUBYBS-UHFFFAOYSA-N	245.410	4.850	0	10	BJAE	
CC(C)CC1(CN[C@@H](C)C(C)(C)C)CCCC1	687794262	YAUMKVSRSYFIJN-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@@]1(O)CCCCC[C@H]1C	691039654	PUWFYKOIERCYAR-RHSMWYFYSA-N	246.394	4.598	0	10	BJAE	
CC(C)c1ccc([C@@]2(O)CCCCC[C@H]2C)cc1	691039795	QKPMRKBMISHKEE-RHSMWYFYSA-N	246.394	4.598	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1N[C@H](C)c1ccco1	691098078	HXHJYFQREUYQJA-RBSFLKMASA-N	249.398	4.535	0	10	BJAE	
CC1CC(CCC2CCCCC2)(CNC2CC2)C1	691480967	MTDYGKGIESZKCC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@H]2CC3CCC2CC3)cc1C	691725405	YOJFXVHZTOUJSD-UYSNPLJNSA-N	243.394	4.542	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)c1cc(C)cc(C)c1	695099528	OOHYPKXOBWYZKG-CABCVRRESA-N	247.426	4.779	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)CC1(C)CC1	696582318	SSZGTWNEXROVTD-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](N)CCC(C)(C)CC	696595127	UECYTYWMZRRDNN-HOTGVXAUSA-N	247.426	4.724	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CCC[C@@H]2C[C@@H]21	697773279	CMXVVMQUEHATCI-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1ccccc1C(C)(C)C	701230773	IUCNIULIFDQRGK-HNNXBMFYSA-N	247.426	4.810	0	10	BJAE	
CC(C)=CCCC(=O)c1c(C)cc(C)cc1C	704636995	CXDFKMRDDMZGOV-UHFFFAOYSA-N	230.351	4.541	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@@H]1CCCC[C@@H]1C	704849526	BTHHVRCHCBNOIN-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H](C)CC(N)(CC(C)C)CC(C)C	704905990	BSEWKFDCIPWAGF-OAHLLOKOSA-N	241.463	4.848	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CCCCC[C@H]2C)C1	704930795	SVQCVSPBXOIMGP-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C2CCC2)C2CC2)c1	705322418	DDJXMBXWCLIWCL-KRWDZBQOSA-N	243.394	4.801	0	10	BJAE	
CC[C@H](NCC[C@H]1CC=CCC1)c1cccs1	706943931	DHXUCOSFFKTAPP-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
CCC[C@@H](CNC(C)C)C[C@H](C)CC(C)(C)C	709128578	SBAIOBPIMRUJDJ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@H](N[C@@H]1CCCC2(CC2)C1)C1CC1	709981557	ZATFJSASBJAEQU-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C23CCC(CC2)CC3)C1	710323643	KPXDBCIBDIQCBD-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C)[C@H](C[C@@H](C)C(C)(C)C)C(C)C	710767288	PLKVCZDKQGXALL-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
C[C@@H](C[C@H](O)c1cccc(C2CC2)c1)C(C)(C)C	710788084	QORCLCHTVHBWGT-LRDDRELGSA-N	246.394	4.670	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)C[C@H]2CC[C@H](C2)C1	711008914	NKDKOCVDPBNMIL-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC(C)CNC[C@H](C)[C@@H](C)C[C@@H](C)C(C)(C)C	711125493	HYUIIHIHGQQFSF-SOUVJXGZSA-N	241.463	4.577	0	10	BJAE	
CCc1ccsc1C(=O)C[C@H](C)C(C)(C)C	711201510	QPTISKGSAAPBBL-JTQLQIEISA-N	238.396	4.566	0	10	BJAE	
CCCN[C@@H](CCC[C@H](C)C(C)(C)C)C1CC1	711225473	LUQVIPLEVLJLHH-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C1CCC(NC[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1	714421766	BQBLWHOSWFIRNB-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCN[C@H]1CC(C)(C)CC[C@@H]1C	717513730	VCYCMSQZFHOXMP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCC[C@H](C)C1	719176545	ZNEQTNFEHKXQKM-GXTWGEPZSA-N	222.372	4.518	0	10	BJAE	
Cc1ccc(-c2cc(Cl)ccc2C)cc1F	722408500	HZHLSCFDRRIONL-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
C=C/C=C\CCN(CCC)c1ccc(Cl)cc1	1191852629	BJPUILBCCXCYFT-WAYWQWQTSA-N	249.785	4.689	0	10	BJAE	
Oc1cccc(-c2cccc(C3CC3)c2)c1Cl	1242800993	VUERNCPCUVGCOX-UHFFFAOYSA-N	244.721	4.590	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CCCC(F)(F)C1	1258755067	CNRJQCFFKWGXGZ-OLZOCXBDSA-N	247.373	4.513	0	10	BJAE	
C=C/C=C/CCN(c1ccccc1)[C@@H](C)C(C)C	1620575402	OXWJUNDVQMAYAG-MOEXGYKKSA-N	243.394	4.670	0	10	BJAE	
CC=CCc1cc(Cl)c(Cl)c(Cl)c1	1888061340	RTRFHEFZUDFIOU-UHFFFAOYSA-N	235.541	4.765	0	10	BJAE	
CCC(C)=CCc1cccc(C(F)F)c1F	1900899148	XAYGMSRSDACAHO-UHFFFAOYSA-N	228.257	4.662	0	10	BJAE	
CCC(C)=CCc1cccc(CC(C)C)c1	1900899372	ZNWYMPZOWBDUGD-UHFFFAOYSA-N	216.368	4.784	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)C1CCCCC1	1905363079	SRRCTICNOWVKTM-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@@H](C)C(C)(C)C	1911869793	JBJXTZBGWVRHPT-HUUCEWRRSA-N	237.431	4.559	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(C)cc1F	1912055756	GNSFFKCQCPHJEP-GFCCVEGCSA-N	206.304	4.594	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCCCCCC1=O)C1CC1	1913384026	ISFBUDMWRPXXOK-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCC2(CCCCC2)C1)C1CC1	1915926129	VZGRTFZGOAJKMQ-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CC(C)NC[C@]1(CCC2CCCC2)C=CCCC1	1916602089	HVJZUEQHOHDERA-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@](O)(CC)CCCCCC(C)C	1919496748	YKRWYDINELJWQJ-HNNXBMFYSA-N	228.420	4.924	0	10	BJAE	
CCCC1CC([C@@H](O)CCCCCC2CC2)C1	1921163809	NAPZWTMFSXEGHI-GPANFISMSA-N	238.415	4.534	0	10	BJAE	
CCCC1CC(CNC2CC2)(C2CCCCC2)C1	1921280569	RJBDPWAJEMIYFW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CC(CCC)C1)[C@@H](C)CCC	1921281376	UFVRHUPJGRWOAP-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@H](c1ccccc1)C(C)C	1921286220	JYUHGLDGLANEEZ-JKSUJKDBSA-N	248.410	4.613	0	10	BJAE	
Cc1cc(OCc2ccccc2)cc(C(C)C)c1	1923696759	LTJFAQKGFKFIMQ-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CCCN[C@H]([C@H](C)C1CCCC1)C(C)(C)CC	1924096317	BZCSMVHUHIZIPU-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](CCCCCC1CC1)NC	1926339552	MIZKPGRIAVKCHQ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C1CCC(N)(CCC2CC2)CC1	1940172775	BTAKOYLSCGQZRN-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CCCC1(C)CC1	1940877118	OXPHHFQGDNMLIV-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CCCCCC1CC1	1941575946	QJWVDWVAXQNOJS-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@H](C)CC(O)(CCCCCC2CC2)C1	1941576628	ULMFVXWJPICNNB-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C)([C@H](N)CC2(C)CCCCC2)C1	1941984806	ZJQHYSZCFMZBOF-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](CNC(C)(C)C)C1CCC1	1942093719	VLBICYZVEGTDHG-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCNC1(C2CCCCC2)CCC1	1945277811	ACBLEDMRVUYTJM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CNC1(C2CCCCC2)CCC1	1945278879	PKOTUIMRLDFAMT-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC1(NCC2(C)CCCCCC2)CCC1	1945281820	BLVZOXXBIXJEJV-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC1(CC[C@H](O)c2cccc3sccc23)CC1	1945970336	NLCMDOKDTVFHQD-ZDUSSCGKSA-N	246.375	4.515	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCC[C@H]1C(C)C	1947524268	MPCLLEMUWYFBLU-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CCC1(C)CC([C@H](N)CC2(C)CCCCC2)C1	1948405407	MIHWGCGFJLYWOF-SHARSMKWSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@]1(O)C[C@H]2CCCC[C@]2(C)C1	1948596985	UYINASQFBQYVMP-OAGGEKHMSA-N	238.415	4.678	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)CCC(C)(C)C	1948973053	PHTXRBSQTJYMTQ-CJNGLKHVSA-N	237.431	4.667	0	10	BJAE	
CC1([C@@H](N)CCCC2CCC2)CCCCCC1	1949016419	KEKOJOKMXDCVSC-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CCC[C@@H]1CC1(C)C	1949050240	ASYFWEIPSNVKLJ-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC1(CCC[C@H](N)C2(C)CCCCCC2)CC1	1949053521	GVQCZAWQDQJAEH-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H]1C[C@H](CC(C)(C)C)CCC1(C)C	1949662680	RGBHJQICDQKGKF-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CCCC[C@@H]3C2)C1	1966045850	LAXDDIDGDHENBH-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCC(C)(C)C[C@H]1C	1971489447	NZPJFDAEOWENDO-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
Cc1sccc1-c1cc2cccc(F)c2o1	1972495418	QVHQWOKDHVIOCV-UHFFFAOYSA-N	232.279	4.609	0	10	BJAE	
CC(C)C(=O)CCC[C@H]1CCC=CCCC1	1978281745	KSEIRJMQQYHNTD-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
CC(C)(C)CCC[C@H](N)CC1(C)CCCC1	1980380046	HZJKZRXJPXMHPU-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC(C)(C)CCC1=O	1994035978	DRZNDTOEDYNAMA-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)Cc1csc(C2CCCCC2)n1	1995461685	NZERFIIFXDGKMJ-LLVKDONJSA-N	237.412	4.779	0	10	BJAE	
CC[C@@](O)(C1CCC(C)(C)CC1)[C@@H](C)C(C)C	1996561200	KTHQDRIMUGSPTC-BBRMVZONSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(C)n1[C@@H](C)C1CCC(C)(C)CC1	1996565576	BPBPKCSSEPBQIZ-AWEZNQCLSA-N	233.399	4.882	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CCC=C(C)C)CC1	1997106405	UPMBTTYXJNABND-PMPSAXMXSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@H](C)CN(C)[C@H]1CCC[C@@H](C)CC1	1997209876	ZHCXUEVPQOPKQQ-PMPSAXMXSA-N	239.447	4.569	0	10	BJAE	
Cc1ccc(NC2[C@H]3CCC[C@H]2CC3)cc1Cl	1997558289	LRDMVQGXQXOTQS-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)[C@@H](C)C(C)C	2000508891	MLCBQLUCCDHBEP-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@](C)(CCCC1CC1)CNCC(C)C	2000514811	OBXMLHFZFPEPQT-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@]1(C)CCCC1(F)F	2002583186	QQMYCJUFKXAXFU-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(N)[C@@H]1CCC[C@@H](C)C1	2003014104	KSJXPEXOHDKVIS-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1CCCCCCCC1=O	2003070128	IKZXJCKDGOWOBW-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H]1CCC2(CC2)C1	2003210531	FVSRALVRAHKVOB-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@]1(C)C=CCCC1	2003320943	LFYHRVYNEVKUBI-ARFHVFGLSA-N	237.431	4.667	0	10	BJAE	
Cc1csc(C)c1C(=O)[C@H]1CCCCC12CC2	2005562526	BXMXXAKUNNIHHR-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC(=O)C[C@@H](CC)C1	2006673545	LYROIEFRJIUELN-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@@H]1CCC[C@@H]1C	2006757013	AISOJRNUIGQPSI-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC1([C@H](O)C=C2CCCC2)CCCCCCC1	2007920927	MHLZNWJRQHSYHH-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CCCCC12CCC2	2009572376	MMBYJTLQVVHZGZ-BAABZTOOSA-N	234.383	4.662	0	10	BJAE	
CC[C@@](CNC(C)(C)C)(C(C)C)C1CCCC1	2012440138	NQVCGTFZRWSGTI-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCCN(C[C@@H](C)C(C)C)c1ccccc1	2015337575	AKHHCFIPRKCCGG-OAHLLOKOSA-N	233.399	4.585	0	10	BJAE	
CCC[C@@](O)(CC1(CC)CCC1)C1CCCC1	2015600100	XKWZJSYLDJOWOO-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@H](C)C(C)C)CCC1	2015645051	RHYDDBGXZLABGG-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C(C)C)C1CCC1	2016144507	JZNVMZCNNAVJRU-HOCLYGCPSA-N	237.431	4.536	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NCC1(C(C)(C)C)CCC1	2017143829	RDAOVIJYDZWJHS-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)CC(C)(C)C)CC1	2017650060	CNQXQMSIPNLDGL-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@@H]1CCC=CCCC1	2017793498	JZCULMIMBIVUFI-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1CCC(C)CC1	2018131862	VPACNIKQYBBCSK-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)C(C)(C)C(C)(C)C	2018991141	RYDZTZRKAVLFFB-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)CC1(CCC)CC1	2018996377	TXJNGGPWTTWRHA-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(C)C2(C)CCCCC2)C1	2019203829	RNCQWODSGZIJKW-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
C[C@H](C[C@H]1CCCC(C)(C)[C@@H]1O)CC(C)(C)C	2020398133	AJTNHXPHXKDSMY-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CCCCC(C)(F)F	2023289402	DQIKTFNOTDKHGU-OLZOCXBDSA-N	249.389	4.602	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(CC2(C)CCCCC2)C1	2025631743	LHEWHRPCEPHKEE-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1C[C@H]2CCC[C@H]1C2	2026244600	SATCKRJKSCCWMR-SLEUVZQESA-N	249.785	4.639	0	10	BJAE	
Cc1cccc(C(=O)CCCCCC2CC2)c1F	2028629805	CWNDTZGYAKADID-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C	2029603540	BLFFNPSZDSKCNG-DZKIICNBSA-N	248.410	4.764	0	10	BJAE	
CCC[C@H](C)[C@H](N)c1ccc(C2CCCC2)cc1	2031746819	ROMFDZHQSGUGGE-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CC(C)(C)NC[C@]1(C2CCCCC2)CC12CCC2	2032132433	PZPFRFJUMPIRKR-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C1=CCCCC1)C(C)(C)C1CCCCC1	2032342271	SPNRPKRBNUTFFB-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H]1CCC(C)(C)C1	2033392914	CLPCQCLSQXPHHS-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1c(F)cccc1NC1CC(C2CCCC2)C1	2033766020	CFKZAGLLWPIIKL-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@@H]1CC(C)=C[C@@H](C)C1	2035404272	PAMYTIXNSAIZPL-XBVQOTNRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@@H](C)[C@H](C)CC(C)C	2036385180	UHSRRQWFLCVQPO-OWCLPIDISA-N	247.426	4.716	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CCC1=CCCCC1	2037167824	AKGWDDCVFKACNR-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CC(C)CC[C@@](N)(C[C@H]1C=CCCCC1)C1CC1	2037273442	SHTIMEKRMMWYGE-DOTOQJQBSA-N	249.442	4.667	0	10	BJAE	
C[C@H](NC1C[C@@H]2CCC[C@H]2C1)C1CCCCCC1	2038623129	RFTRDFCVPNLEEM-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CCC1(N)CC2(C1)CC1(CCC1)C2	2039460695	UKQVNNJYBLCEHF-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@H]2CCC=CCCC2)C1	2045306583	AFMIEFSBYRBBJG-HPUBIQBYSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@@H]2CCC=CCCC2)[C@H](C)C1	2045317484	MDWCRWXOORPYKN-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
Cc1oc(C)c(C(=O)[C@H]2CCCC(C)(C)C2)c1C	2045460515	PNKCLQJXXYESSP-ZDUSSCGKSA-N	248.366	4.604	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CC2(C)CCCCC2)C1	2045559387	XIFZAZRZHKTBQH-DZGCQCFKSA-N	248.410	4.908	0	10	BJAE	
CC(C)[C@@H](C(=O)CC1(C)CCC1)c1ccccc1	2046907761	FYLCNWHFYXTXHY-MRXNPFEDSA-N	244.378	4.576	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@H]1CC12CCCC2	2047062319	MQRUNNIVPOEIJI-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CCCC=CCNC[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047433976	GMLFDMHTXQRQEK-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)[C@H]2CCC23CCC3)CC1	2047936928	UICBOONKCLEDEO-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048443539	PNDYNHYUABYHKE-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](C)NC[C@@H]2C=CCCC2)CC1	2049412973	UCAHGUQTAAOMBD-ORBLRFAASA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC2(CC2)C1)C1(C)CCC1	2049855747	MXRKXBOWEDGHJY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CC1CCC2(CC1)CC2)[C@H]1CC1(C)C	2049859141	SOMQAXSPUMTZOL-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)COc1cccc2c1CCC2	2050413935	MGMSVRFVUMFFTL-CQSZACIVSA-N	246.394	4.771	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@@H](N)c1ccccc1C	2050460587	KNMBQMUHAIAUQX-HLLBOEOZSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC[C@@H](C)C1)c1ccco1	2050527527	JVRGNQSWJSGHPP-QLFBSQMISA-N	249.398	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1CC[C@H]2C[C@@H]2CC1	2051398446	AKBMPGXFXFKFMP-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)C[C@]1(CNC2CC2)CCCCC12CC2	2053356968	LKJIZOLCMYOHNP-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)[C@@H]1C=CCCCCC1	2053400367	KJOUBJYDSAOGED-NVXWUHKLSA-N	249.442	4.668	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H](C)c2ccc(C)cc2)CCC1	2055539138	HFIUHTZUTXTVAO-WBVHZDCISA-N	243.394	4.535	0	10	BJAE	
CC1=C[C@@](N)(C2CCC(C(C)(C)C)CC2)CCC1	2055608417	RLBDFRDBFNDAFL-VMBOVVBDSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1Nc1ccc(CF)cc1	2055678884	WKWBSLOIGRQWGS-HOTGVXAUSA-N	249.373	4.783	0	10	BJAE	
CCNCC1(CC2CCCC2)CCC2(CC2)CC1	2056551626	GHSVWKRVJDKHDL-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC=C(C)[C@H](C[C@@H](C)c1ccccc1)NCCC	2056776451	MAVSUAYBVYCXMK-WBVHZDCISA-N	245.410	4.515	0	10	BJAE	
C[C@H]1CCCCCCN1C[C@H]1CCC=CCCC1	2057104089	WVMIANHNNNMZIL-IRXDYDNUSA-N	249.442	4.778	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1CCC[C@H]2C[C@@H]12	2057361164	NZMYYTPTPXNZDP-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCNc1ccc2c(c1)CCCCC2	2059224538	BRRXASYWODXFJQ-NSCUHMNNSA-N	243.394	4.724	0	10	BJAE	
CN[C@@H](CCC1CC1)C1=CC[C@@H](C(C)(C)C)CC1	2061095773	PKEPBVJIQDLASN-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)[C@@H](C)C1CCC1	2061144229	PRCHWHXGRSPWMD-VBQJREDUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC1CC(=C2CCC2)C1	2061699554	NOZSZOWSNAEXMK-LBPRGKRZSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063486250	HYCPUUULZQCMLT-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@H]1CCC1(C)C	2068229793	KAQBFSFAPXARME-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068782368	SZKQUOJKKQYNNI-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)c1ccc2ccccc2c1	2068818760	RNMYJUMWLQTWKU-CXAGYDPISA-N	241.378	4.522	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CC12CCC2)CC1CCCC1	2069172825	CZADQUKDONRBLD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN2CCC[C@H]2C2CCCC2)CCC1	2069268009	JVOLEUBTIZULHT-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](CC1(CCC)CCC1)[C@@H]1CC12CC2	2069341660	HQBDRJHGHLCKKP-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@H]2CC23CCC3)CCC1	2069342663	QXSOXELVQGLACV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NCC)c2coc(C)c2)CCC1	2069344392	KPLCAKWPCCNPCN-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H](CNc1cccc2ccccc12)C(C)C	2070276178	RKICDGQLUSUVBI-AWEZNQCLSA-N	241.378	4.934	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@]12CCC[C@@H]1C2	2070925912	KCKGHNFPIUDWNC-INMHGKMJSA-N	248.410	4.886	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CC[C@@H]2C2CC2)cc1	2071801760	YKTKBKUQHRUKFS-VUCTXSBTSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CCCC12CCC2	2072419018	WJKBSFQGKDZJDP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@@]2(N)C[C@@H]3CCC[C@@H]3C2)CC1	2072803374	HMXGYTAUQQHAQR-NDQLQDMOSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN2CCCC23CCCCCC3)CC1	2074595063	QJBIQQYXUWKNOJ-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCCC1(C[C@]2(N)C[C@@H]3CCCC[C@@]3(C)C2)CC1	2074629539	PUPLTWVXCMGGFC-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC(N(C)[C@@H]2C=CCCCCC2)C[C@H](C)C1	2074796317	GKOVHKLPYWEXAM-BZUAXINKSA-N	249.442	4.632	0	10	BJAE	
CCC1CCC(N2CCCC[C@@H]2C2CCC2)CC1	2074859399	KFINKHDNQAXEFP-BDVYOWHSSA-N	249.442	4.610	0	10	BJAE	
CC(C)=C(F)CN[C@@H](C)c1cc(C)c(C)cc1C	2076364812	XOGTUNDHGUAPEE-AWEZNQCLSA-N	249.373	4.526	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@@H]1C1CCCCC1	2079529482	LWKIMLCOZCBCFC-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CN(C1CCCCC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2081135509	CPVMAYPJUVRIDO-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCCC(C)(C)C1)c1ccoc1	2082980393	VBHBBUPSBNYDEL-ZFWWWQNUSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2C[C@H]2C2CCCC2)C1	2083032896	MNIJYTWUHRSFJM-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H]2CCCNC23CCCCC3)CCCC1	2083812438	OLUOOBWEIRJXSZ-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CCC[C@@H]1CCC=Cc1ccccc1	2210662466	OVZCTRWUARSEOY-HOCLYGCPSA-N	214.352	4.916	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCCCC1CC1	2214572199	BCXFNXGZXWGHLA-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)CC1CCCCCC1	2215252117	MSBJUGMMKUAOOH-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C(=O)CC1(C)CC(C)(C)C1)C(C)C	2215440829	UGSNQVWFXFGSSU-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)[C@H](C)CCC(C)C)CC1	2215813124	MXHWJHQTOZBGHH-PMPSAXMXSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCC[C@@H](C(C)(C)C)C1	2216252549	KUYHNMYVBQDXBV-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(N)CCC[C@@H](C(C)(C)C)C1	2216253330	QUMWTZKXSQKAMG-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C)NCC1(CC(C)(C)CC)CC(C)C1	2217128716	HRRGHRIJNLWDJW-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CN[C@H](C)CC)[C@@H]1C[C@H]1C	2217150474	NJUYCJWBAAVDMW-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)C[C@H](C)C(C)(C)C	2217150543	NRJUHUGWHSCQBC-DZKIICNBSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CCC(C)(C)CC)C1CC1	2217152485	FFYLAAQMKMRLOR-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
COc1cccc(C)c1NC1CCCCCCC1	2220294749	PKGFDTNIUHZBSC-UHFFFAOYSA-N	247.382	4.528	0	10	BJAE	
N[C@H](CCC1[C@H]2CCCCC[C@H]12)C1CCCCC1	2220305087	JZXRTOWYKSIJDB-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C(=O)CC[C@@H]1C[C@H]1CC)c1ccccc1	2220964370	WTEPVQRXKLCMSZ-BMFZPTHFSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CC(C)(C[C@H]2CCNc3ccccc32)C1	2221038357	YBLLFXMFBLPJHV-CYBMUJFWSA-N	243.394	4.802	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CCC2CCCCC2)CC1	2221628710	DAWMEGYTXCBJKZ-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@H](CN[C@@H](C)CC)c1ccc(C)cc1	2223554153	YCSRFLALBCFTEA-DOTOQJQBSA-N	247.426	4.657	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)c1ccc2occc2c1	2224135941	SQXCEMBSDDHVFZ-HOCLYGCPSA-N	245.366	4.505	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cc2ccccc2s1	2246875296	MDQOJYRTXKNCSK-IAQYHMDHSA-N	247.407	4.727	0	10	BJAE	
CCCC[C@](CC)(CN)CCCC[C@@H]1C[C@@H]1C	2247177938	ZRDBBPUVWISNCW-XHSDSOJGSA-N	239.447	4.748	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)[C@H]1CCCCC1(C)C	2247442279	HTFIQIYKOPAVMK-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CCCC12CC2)NC	2247604492	BRSSHUBOSHCADY-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCCC1(O)CCCCC1	2248819447	KEXHLYQVBKTGGW-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCN(C)CCCCC[C@@H]1C[C@H]1C	2248840778	MDXCVJCSEDNRDV-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)(C)C)c1)C(C)C	2249311510	UJQVPFDCCYEGAI-HNNXBMFYSA-N	233.399	4.831	0	10	BJAE	
CC1CC(CC(=O)c2ccc(C3CCC3)s2)C1	2250278016	FAGCKZRIWICGLY-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@@H]1CCC[C@@H](C)C1	2250351649	FJBXQWWTZMGVOA-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)[C@@H]1CCC2(CCCC2)C1	2250355402	AXICJKNGCYZFAS-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CNc1ccc2sncc2c1	2250386919	XWPUTRNZYIOSIZ-NSHDSACASA-N	248.395	4.535	0	10	BJAE	
CCC[C@@H](CC)CNc1c(F)cccc1CC	2250389541	KCCPIDTWBSWODC-GFCCVEGCSA-N	237.362	4.626	0	10	BJAE	
CC1CC2(C1)CC(CNc1ccc(Cl)cc1)C2	2250444013	FKJXMQLZLAKTHT-UHFFFAOYSA-N	249.785	4.578	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@@H](O)CC[C@@H](C)CCCC(C)C	2250478002	DKFAVFLCQUZFAU-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CC(C)(C)CCC1(C)C	2251670798	WYOFMNFXAUSUGP-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1ccc2ccsc2c1	2253066231	WQOOOKISTMDZNG-RISCZKNCSA-N	247.407	4.598	0	10	BJAE	
CC1CC(C)(CC(=O)C2CC3(C2)CC(C)(C)C3)C1	2253690316	YSHQSIOAWYRMGA-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@]1(C)[C@H](N)CC[C@@H]1CCCCC12CC2	2253839532	OBEXSXVJXXCMEO-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(CC[C@H]2CCCCC23CC3)C[C@@H](C)N1	2253858376	VPRDZKCVTILHJV-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC[C@@H]1CCCCC12CC2)C[C@H]1CCCN1	2253886821	PBXOMLJCCPRFIV-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(NC2CC3(CC(C)C3)C2)cc1C	2254148291	KTNSSCJOFVBSGS-UHFFFAOYSA-N	243.394	4.548	0	10	BJAE	
CCC[C@]1(C2CC3(CC(C)C3)C2)CCCCCN1	2254456377	XGKUXUGXYFYQAO-VKFIQFPUSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(N[C@H](C)[C@H]2CC23CCC3)CC1	2256439168	WRUJAGQUUJOGIZ-PRLABOORSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@]12CCCC[C@@H]1CC2	2260489129	KEYYWANNIWRCIU-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C(=O)[C@]23CCCC[C@H]2CC3)CC1	2260523024	ZUMGARJIHBRCCM-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@]23CCCC[C@@H]2CC3)CC1	2260579627	SFFRPYCIJQKKDJ-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CCc1ccc2ccccc2c1F	2300862916	JCPLCKYWHQGMRF-UHFFFAOYSA-N	228.310	4.878	0	10	BJAE	
C[C@H]1CCCC[C@@H]1c1nc(CC2CCC2)cs1	2302262753	ORVYFSIZFMTACM-FZMZJTMJSA-N	249.423	4.779	0	10	BJAE	
C[C@H]1C(=O)CCC[C@H]1CCCC1=CCCCC1	2302344917	LSTNWPORHFNGOD-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CC(C)NC[C@@H](C)CCCCC1=CCCCC1	2302360206	ZSXMTIODRDVFHW-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CC[C@H](CCC[C@H]1C[C@@H]1C)NC	2302608141	HIHPGQALTRIOQO-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(N)(C[C@@H]2CCC(C)(C)C2)CC1	2302900468	DNQXNGMGFFEHRR-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC(=O)CC[C@@H]1CC[C@@H]1C1CC1	2303123837	KNYSGWGVBGWLFN-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(O)CCCCC[C@H]1CC	2303570142	GXHRUJWMAHBIMC-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@@H](c2nc(C3CC4(CC4)C3)cs2)C1	2304404590	BRQLBOVDBIHEEJ-WDEREUQCSA-N	247.407	4.704	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC[C@H]1CCC(C)(C)C1	2304430754	CYFOIZBPUOIZQW-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CC[C@@](N)(CC[C@H]1CCC(C)(C)C1)C1CCC1	2304432195	SHXRZXYFGZNKSB-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCC[C@H]1C1CC1	2307833056	YKLRMBSXFKYESR-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@H]1CC[C@@H]2C[C@@H]2C1	2308937655	VVLILDUSMFGZCK-XUWVNRHRSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2310378821	KONLWGVXUHRJTA-JKIFEVAISA-N	248.410	4.742	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)CC[C@@]12CCC[C@@H]1C2	2310380260	RQOGIGVOZYBUAA-PQEBFOHHSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@@]2(C)C[C@@H]12	2315883683	QQTPBSFNANJIPF-UXLLHSPISA-N	243.394	4.719	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@@H]1CCCCC12CCC2	2316500949	BACVWLXDQBANJJ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1N[C@@H]1CCCC2(CCCCC2)C1	2316583602	BWCJDDVILQBPML-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@H]1CCC2(CC2)C1	2316884810	JXMIIROTCRQXCW-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCCCC1=CCCCC1	2318524892	TVJXXTPMEBFINP-RDJZCZTQSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(CN)CCC=CCCC2)C1	2319073648	PATKQNGILATHJJ-RDJZCZTQSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@H]2C[C@H]2C2CCCC2)C1	2319285995	FFRIFEQFGFKBTD-SNPRPXQTSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C[C@@H]1CC[C@H]1C1CC1	2319492518	OXJMGXVYPNTEHG-DZKIICNBSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@H]1CCC(C)=C(C)C1)c1ccccc1	2320238656	XASNSHXUMIJPSR-IRXDYDNUSA-N	243.394	4.616	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2CC3(CCC3)C2)CC1	2320414013	PWXMRGRHICHFLH-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](CC1CC1)C1CC1	2320520072	DJUSWQBLBQRSIC-HYVNUMGLSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCC3(CCC3)C2)c1	2321083375	RCVBKZKUMDBLCZ-AWEZNQCLSA-N	247.357	4.523	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CC[C@@H](C)C2)c1F	2327775206	AUZPLEVHMJCSHP-CHWSQXEVSA-N	249.373	4.797	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)c1cccc(C)c1	2328283484	XUFDPGYCPUOCIR-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CCCCCCNc1cccc(C(C)C)c1	20360485	IIUMFHGPWBTBFY-UHFFFAOYSA-N	219.372	4.802	0	10	BJAE	
CCCCC[C@H](N)c1ccc(C(C)(C)C)cc1	20481370	TXVMFLZNAQURJK-HNNXBMFYSA-N	233.399	4.564	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)C(CC)CC	36820068	FQZYKBHJRWMRDS-QGZVFWFLSA-N	247.426	4.897	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccc3ccccc3c2)C1	36951914	UFNDTEFHUFYDAM-BBRMVZONSA-N	239.362	4.830	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCC[C@@H]1CC	37031249	BCDIGLNIKSTYLZ-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CCN[C@H](c1c(C)cc(C)cc1C)[C@H](C)C(C)C	70123326	VQSQGIZIDWSAFU-WBVHZDCISA-N	247.426	4.555	0	10	BJAE	
CCCC[C@H](C)NC(CC(C)C)CC(C)C	71106346	LDAOPNSQGSLGDI-AWEZNQCLSA-N	227.436	4.616	0	10	BJAE	
CCCNCC(CC)(CC)CCC(C)(C)C	71128036	VSZPRNVRUNCLEO-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
Cc1ccc(Cl)cc1[C@@H](C)c1ccccc1	75841824	QWXYTHAAWNMFRH-LBPRGKRZSA-N	230.738	4.800	0	10	BJAE	
C[C@H]1CCC[C@H]1Nc1ccc2sccc2c1	83390365	NVDGNTFWIZFALU-GXFFZTMASA-N	231.364	4.502	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2c(Cl)cccc2Cl)C1	83847978	YNGQIQJHLLNKAG-RKDXNWHRSA-N	244.165	4.594	0	10	BJAE	
CC(C)Oc1ccc2[nH]c(C3CCCC3)cc2c1	84070970	JNPASBGTXXDWRA-UHFFFAOYSA-N	243.350	4.613	0	10	BJAE	
CC(C)CCC[C@H](C)NC1C[C@H](C)C[C@@H](C)C1	84463026	QWFUAWKFWUBTJK-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](C)C[C@@](O)(CCC)c1ccccc1	87165761	UHFWSBCXPBIBQS-ZBFHGGJFSA-N	234.383	4.501	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCCC2(C)C)cc1	94303051	OJFLPHYWVGRXCV-HNNXBMFYSA-N	231.383	4.801	0	10	BJAE	
C/C=C\C[C@@H](CC)c1cccc(Cl)c1	107498641	AEAHKPXUYPJLCV-USEMIUTHSA-N	208.732	4.800	0	10	BJAE	
CCCc1ccc(-c2ccccc2C(C)=O)cc1	109774649	MWPRHTIVHNOVPO-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1)c1ccccc1F	122446610	QLWFSYPKGGKHMD-MRXNPFEDSA-N	243.325	4.697	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@H](C)CC(C)(C)C	124238114	ZMOYUAGQWRIOFG-JSGCOSHPSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](C)c1csc(-c2ccccc2C)n1	132207284	KDSXUHOJXVPYSN-JTQLQIEISA-N	231.364	4.632	0	10	BJAE	
CCC(CC)CC1(CNCC(C)C)CCCC1	149098852	QMMGBLDSFJRKNN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)C1(CC(C)C)CCCC1	162096856	HFVINNRFZLZTJJ-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCC(=O)c1csc2ccccc12	165216957	UWFFBSKXBPNWRD-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CC1=CCC[C@]2(C)[C@H]3CC[C@@]12CC3(C)C	206549320	ZCJQJJWNFDNQGZ-NWANDNLSSA-N	204.357	4.559	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCC[C@@H](CC)C1	221501034	BWOZHWSEAHCSDC-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H](C3CC3)C2)C1	221508424	YLXVLSFXRVTEDZ-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)C1CCCC1	225970921	ISYGPEYXGBEPHH-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
CCN[C@H]([C@@H](C)CC)C1(CC(C)C)CCCC1	228807372	YNMJAYQRGQKVFF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](N)C1CCCCCC1)CC(C)(C)C	229144877	WCRFNYDPUJDCSC-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CC(CC)CC)c1ccccc1CC	229162274	UKUPCCKEXHJRLQ-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)c1ccccc1C	229432278	MMVCTPQGXOCNGJ-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H](CC)c1ccccc1	229743516	NSAMIWBBCLZEHJ-IAGOWNOFSA-N	245.410	4.515	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1N[C@@H]1CCC12CCCCC2	230171161	QSWYUUULYNPRFK-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@H](CNc2ccc3ccccc3c2)C1	230431836	PZIKUXCZDKOEKG-UONOGXRCSA-N	239.362	4.688	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](O)(CCC(C)(C)C)C1	230785600	JZSWYZVARAGPEN-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCCCCc1sccc1Cl	231454940	SNOUUHHSJXOTBK-UHFFFAOYSA-N	202.750	4.524	0	10	BJAE	
CCCCc1ccc(-c2cc(C)cc(N)c2)cc1	232055696	RUFIVNZMSMXDIU-UHFFFAOYSA-N	239.362	4.587	0	10	BJAE	
CCCC(=O)c1cc2cc([C@@H](C)CC)ccc2o1	232359325	JIAGHPCXRBCVHI-NSHDSACASA-N	244.334	4.929	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C2(C)CCCCC2)c(C)c1	235838628	QEZCVMDTLLDAGX-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1CCCCCC1	300917608	STNOTAWLBGQDFK-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)NCCCC(C)(C)C	300948177	WWUYORNVRYRDHG-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCc1ccccc1[C@H](C[C@H](C)CC(C)C)NC	302328878	KNJGTLZYUDSVBA-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](CNC(C)(C)C)C(C)C	302333061	LBVQERWDIYNKLF-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CC(C)(C)CC[C@H]1CN	302354667	WXUKXJAYZMGJJR-KGLIPLIRSA-N	239.447	4.604	0	10	BJAE	
C[C@@H]1CC[C@](O)(CCC2CCCCC2)[C@H](C)C1	305897167	OINNLTLSPWLHJX-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cccc(C)c2F)CC1	306016664	SSAUJTJWLLAXJC-UONOGXRCSA-N	249.373	4.905	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CCC(C)(C)C	308047749	IBUJGXUEQFXAJB-KBPBESRZSA-N	227.436	4.602	0	10	BJAE	
CCC1([C@@H](N)CC2CCC(C)CC2)CCCC1	310480638	DRZKMOLXJPJCFL-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](NCCCC(C)(C)C)c1ccccc1	313268770	XBLLUAZIZUQWPD-INIZCTEOSA-N	247.426	4.800	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC2CC2)(CC2CCCC2)C1	318994651	SXHAHPJFSVEFRJ-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](Nc1ccc2sccc2c1)[C@H]1C[C@@H]1C	322022604	KQSADOKPEKTOAN-BPNCWPANSA-N	245.391	4.748	0	10	BJAE	
CC[C@H](Nc1ccc2sccc2c1)[C@@H]1C[C@@H]1C	322022607	KQSADOKPEKTOAN-GDLCADMTSA-N	245.391	4.748	0	10	BJAE	
CCC[C@@H](NC(C1CCC1)C1CCC1)C1CCC1	324775043	DVWYVGHFMLBKMI-MRXNPFEDSA-N	249.442	4.514	0	10	BJAE	
CC[C@]1(C[C@H]2CCC[C@H](C)C2)CCCCCN1	380028886	FVXBUVJQQFBNJZ-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(OCCCCCC(C)C)c1F	383219882	FADJAXJJWZLZNT-UHFFFAOYSA-N	238.346	4.729	0	10	BJAE	
C[C@H]1C[C@@H](n2ccc3ccc(F)cc32)CC[C@H]1C	384621949	RIMKJBBAJMYNAR-XUJVJEKNSA-N	245.341	4.778	0	10	BJAE	
CC(C)c1csc([C@H]2CCCC[C@@H]2C)n1	385007029	MUAXRIKTKGRQGL-QWRGUYRKSA-N	223.385	4.560	0	10	BJAE	
C1=C(CC[C@@]2(C3CC3)CCCCCN2)CCCC1	385137420	HWIYTXBSPDJRCO-QGZVFWFLSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1cccc(C(F)F)c1	386247074	ZMWMTVBIQTYFLD-ZWNOBZJWSA-N	239.309	4.615	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)c1ccc(C(C)C)cc1	395573053	ODBJRLDEOCICET-CVEARBPZSA-N	244.378	4.675	0	10	BJAE	
CCc1cc2c(SC)c(CC)ccc2s1	396170274	MWOCAZVUYLIBJI-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCOc1cc(Cl)c2scc(CC)c2c1	396192817	RJNPWDBWLGBFJG-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)[C@@H](C)C(C)(C)C	399224167	ZVTIMNYCZWJALE-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
O=C(C[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCCCCC1	403652280	RJGYIIIRCALOJO-VNQPRFMTSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc2c(c1)CCCC2	404536170	ASTNZPKTAHEOGU-OAHLLOKOSA-N	231.383	4.556	0	10	BJAE	
CCC[C@H](N[C@@H](C)CC1CCCCC1)C1CC1	689775662	APOKZFVIYPJZEQ-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H](C)C1CCCC1	691168637	BOOBDBLLSMCNCT-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC12CCCC2	694324973	FDCYLZPIJCAAMG-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC1CCC(N[C@H]2CCC23CCCC3)CC1	694329780	LLGXWYSFPYAIDE-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
CCCCC[C@@H](NCC)C1CCC2(CC1)CC2	695648920	XPCNBVTZQNXQPR-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)CC(C)(C)CC	696246988	DZKGCJNWWUDMJA-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@H]1C[C@H]1CC	696552143	XTOXTKFDPICWCR-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)c1ccoc1	696673624	RVKNEXHHBYQEJM-AWEZNQCLSA-N	237.387	4.537	0	10	BJAE	
CCCC[C@@H](CC)NCC(C)(C)C(F)(F)CC	699673013	XAPJJHRFHBJLQL-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc(C)c(Cl)c1	701387602	CLTVTZCRGNRILS-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CCC1CCCC1	704959055	UEUCAAQGGMYCQU-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
c1cc(N[C@H]2CCCC23CC3)c2sccc2c1	706556891	ILGLYDBGWSBZSR-ZDUSSCGKSA-N	243.375	4.646	0	10	BJAE	
C/C(=C\CCNC1CC1)C[C@H](C)CC(C)(C)C	709085569	ODDBSOSBARSIPK-GUNGLEHYSA-N	237.431	4.537	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1)[C@]12CCCC[C@H]1C2	709101192	ZZYQMDCFBMBTSM-SLEUVZQESA-N	249.785	4.721	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC2(C)C)cc1Cl	709227745	GXKKZHWGBGWYRJ-CYBMUJFWSA-N	237.774	4.503	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(O)C[C@H](C)CC(C)(C)C	709259153	LEQMVZGIUQKZMK-HGTKMLMNSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(C[C@@H](C)C(C)(C)C)C1	710751044	POKJTEWTSHICEQ-IIAWOOMASA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CCOc1c(C)cccc1C	711314552	VEGSEKHZRRASBF-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC)C[C@H]1CC(C)(C)C	713246853	XSTSXINASMHZDU-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CNC)(CC(C)(C)CC)CC1	713336212	MWPMWEOUQHOQDO-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)N[C@H](CC)CC1CCCCC1	720953750	HYXGJVMFWBIJSA-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccccc1C(C)C	721675498	QRAHDFYUSPWNOB-HNNXBMFYSA-N	234.383	4.670	0	10	BJAE	
CCCCCC[C@]1(N)CC[C@H]2CCCC[C@H]2C1	723614910	MJSYQPWVEOLGFO-PMPSAXMXSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCC[C@]1(O)CC[C@@H]2CCCC[C@H]2C1	723644127	BNSRKCHKDLGNCN-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC)CCC(NCCC2CC=CC2)CC1	1308518083	ZTNZMNOQSRTDGA-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(CSCC2CCC2)cc1	1458930551	CKGHLZGOOUKMJJ-UHFFFAOYSA-N	234.408	4.843	0	10	BJAE	
CCC(CC)Sc1ccc2c(c1)CCCC2	1459139095	HLJHKUINLLSVKV-UHFFFAOYSA-N	234.408	4.846	0	10	BJAE	
C1=C[C@@H](SCC2CCCC2)CCCCC1	1459287087	CERANFJJMQFUNA-CQSZACIVSA-N	224.413	4.799	0	10	BJAE	
Cc1cccc(CSC[C@H](C)C(C)(C)C)c1	1652840391	FBPRDKFYCWORQG-ZDUSSCGKSA-N	236.424	4.910	0	10	BJAE	
C1CCC(CNCCCCC2CCCC2)CC1	1661584949	IHVIYJXXZKKRCR-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H](O)[C@@H](C)CC=C(C)CCCC(C)C	1900837616	FBCNTUPGXISZGE-LSDHHAIUSA-N	226.404	4.556	0	10	BJAE	
CC(=CC[C@H](C)C[C@@H](C)O)CCCC(C)C	1900911941	PHJHDPKNZQXYBM-LSDHHAIUSA-N	226.404	4.556	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CCC(C)(C)C(=O)C1	1905430345	AJZZBFIVEXDUAV-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H](C)C(C)(C)CC	1905445138	JBAFWMMOBBQYEN-KBPBESRZSA-N	227.436	4.569	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H](CC)CCC)NC	1905455279	YXRDQUALSQXYPI-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](O)CC1CCCCCC1	1908582143	KHYFUYFKLXVKAA-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC=CCN[C@H](C)c1ccc(CCCC)cc1	1911910889	REHIDVBCPSTQDA-OAHLLOKOSA-N	245.410	4.646	0	10	BJAE	
C[C@H]1CCC[C@@H](CC=CCCNC(C)(C)C)C1	1912059546	HFHSBQLPENIERE-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1cccc([C@H](O)C2CC(C(C)C)C2)c1	1921171881	CETZHTQRNVJQAF-JCYILVPMSA-N	246.394	4.526	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(N)C[C@H]2CCC[C@@H](C2)C1	1923474924	FCZRIEOAYNYWRY-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)Nc1cccc(Cl)c1	1939045893	FGQIZHKHJUFFGG-NEPJUHHUSA-N	239.790	4.823	0	10	BJAE	
N[C@H](CCCCCC1CC1)CCC1CCCC1	1941587819	WFFATIWNVFCFDU-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC[C@H](C)C1(N)CCC2(CCC2)CC1	1944602757	UWHNLMMOAZFBJG-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](NCC)C(C)(C)C1CCCC1	1944647506	XCSFOPHFJOTTPO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C(C(=O)C2CCCCCCC2)C1(C)C	1946177805	QHVKJWJFXXBXCI-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Clc1cccc2c3c([nH]c12)C[C@@H]1CCCC[C@@H]31	1946274655	LMACMMYPBKMRNM-VHSXEESVSA-N	245.753	4.651	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCCC1(C)CCCC1	1947454987	BPQNFMHWLLQFLR-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CC1(C)CCCCC1	1947466834	ZWUBKFBSIMWGDJ-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)C1CCC(CC)CC1	1947517164	YTADUAMHIDOYMT-GRAKBVBRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)c1cccs1	1947591736	GGEVAQWSAHLUIO-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
Cc1cscc1NC1C[C@@H]2CCCCC[C@H]2C1	1947859730	QUOWUTRMJDNMIK-STQMWFEESA-N	249.423	4.827	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)CCCCCC1CC1	1948329345	ZBRMARQPCBWQEN-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@@H](C)[C@H](C)CC(C)C	1948332681	NQRQAJIYSPELPU-FZKCQIBNSA-N	241.463	4.717	0	10	BJAE	
CCC[C@](N)(CCCC1(C)CC1)C1CCCC1	1949055957	UHROVWXTFZXNFV-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@@H]1CCC2(CCCC2)C1	1949596915	REWGZUCOPJRYRT-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC1CC(C)(C)C1	1949736350	OFTDTPQHPMRDTC-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	1967858990	YVXMBKWYZDHZPZ-HQOAGVKLSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(OCC2[C@@H]3CCCCC[C@@H]23)c1	1968306902	ABAVVRYYGWOCSE-HUUCEWRRSA-N	244.378	4.509	0	10	BJAE	
Cc1cc(C)cc(-c2nc(C3CCC3)cs2)c1	1970821427	HPMKOVRKZRJRIM-UHFFFAOYSA-N	243.375	4.694	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@H]2CCC23CCC3)C1	1972259311	KXMJNBQIJBIRLW-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)c1ccc(C)s1	1978537183	BPLBZUBMJHKZLR-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)[C@@H](C)CCC(C)C	1988796026	ZFYFNMABISCREN-LSDHHAIUSA-N	226.404	4.556	0	10	BJAE	
CCC[C@@H](C)C(=O)CC1CCC(CC)CC1	1989836575	HPCHVCXCKIZGGW-IYXRBSQSSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H](C)CCC	1993593146	HOUUYYCPXFISGO-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)c1cccs1	1995258271	CFCILHLCGXOKJL-STQMWFEESA-N	239.428	4.615	0	10	BJAE	
CCC[C@@H](NC)[C@@H](CC)C1CCC(C)(C)CC1	1996593780	HXLBXCQIDLHXJV-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)C1(C(C)C)CCC1	2000333420	NVORONGWEHIBRB-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CCCCF)CNCCC	2000499975	PPBGHSYWSGDNCQ-HNNXBMFYSA-N	245.426	4.712	0	10	BJAE	
CCCCN(CCC(C)(C)C1CC1)[C@@H](C)CC	2000900940	TWLVWQMJUSWUBC-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](CC[C@@H]1CC12CCCCC2)NCC	2001215081	GZXYUCOXRSVDOJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@]1(C)CC=CCC1	2001696992	HJBXVFSDDHSDRB-OAHLLOKOSA-N	249.785	4.807	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)C1CCC(CC)CC1	2002927988	WDUPFGHIPFVYNX-QVOMUQBLSA-N	239.447	4.760	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@H](C)[C@H]1CCC[C@@H](C)C1	2003004542	GLZNHAOMCJXQQN-BARDWOONSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@]1(C)C=CCC1	2003330902	UQMFMKYDBSNFHG-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CNC[C@@]1(C)CC=CCC1	2004705247	GWDIPHQOFNZRBH-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCCC(C)(C)C)CC[C@H]1C	2006955525	BGWQDGCOKRTFOH-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CCCC2CCC2)CC1	2009404225	LOMBKFGXRUWPHM-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@H](C)CC[C@@H]1O	2009419552	JVGDMNWEPKAJEQ-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CC=CCCCNC1CCC(CC)(CC)CC1	2009598999	UWBTZNROHGBFMZ-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
C1CC(=C2CC(CCCC[C@@H]3CCCO3)C2)C1	2011087817	BRJOLZROLYWCMC-MRXNPFEDSA-N	234.383	4.616	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)CC1CCCCC1	2011576112	JTQVPOWMVMNZIR-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011973660	ONDMORQMVMFJCY-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC[C@H](Nc1ccccc1Cl)c1occc1C	2012061288	LLKBSRQNMIHMNS-LBPRGKRZSA-N	249.741	4.805	0	10	BJAE	
C[C@H](NCCCCCC1CC1)C1(C)CCCC1	2014358938	OLFMNJDYELSLSR-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H](C)[C@@H]1CCC1(C)C	2014943057	QZXWQCDJKVZSEL-MCIONIFRSA-N	239.447	4.616	0	10	BJAE	
CCCNCCC=C(C)CC(C(C)C)C(C)C	2015412486	NSYQZDUOBQDPQR-UHFFFAOYSA-N	239.447	4.641	0	10	BJAE	
CCCC1(CN(CC)CC(CC)CC)CCC1	2015592469	LAKWFSOEMWRXJD-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCCC1CC([C@H](N)CC2(CCC)CCC2)C1	2015639311	FQWUFRHEWYQREV-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)C1CC(C)(C)C1	2016143374	FDGOTNLQMCRDHR-KBPBESRZSA-N	237.431	4.536	0	10	BJAE	
CC(C)(C)C1(C[C@@H](O)C2CCCCC2)CCC1	2017113985	HFILZKBDKSHAGF-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1(C(C)(C)C)CCC1	2017139627	XLOYPHRLHKONMG-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(C)CN(C)[C@@H]1CCCC(C)(C)CC1	2017460899	BTUHUODHJRJSBM-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CCCNC[C@]1(CC(C)=C(C)C)CCC[C@@H]1C	2017464992	CSTHXJBGSWWJBC-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H]1C[C@H]2CC[C@H]1C2	2018132445	TWUFPZNHIQVVCG-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCCC1CC(CN(C)[C@@H](C)CCC(C)C)C1	2019409273	OPPQBPGALGSJKN-FHERZECASA-N	239.447	4.569	0	10	BJAE	
C/C=C/CCCN(CCC)C1CCCCCC1	2020507870	LTFHAYBYPUZRNO-HWKANZROSA-N	237.431	4.778	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H]1C[C@@H]1CCC	2022389842	CPJUBVGREANZAL-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1C[C@H]1C1CCCCC1	2022438096	XMZVAHYKYOIZLE-JYJNAYRXSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1C[C@@H]1CCCC(C)(C)C1	2024605208	JHSLMMSQVUDQRJ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CCCNC1CCCCCC1	2026167176	POGGFUJSUDIWBH-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CCC[C@@H]1C1CCCCC1	2027006191	JRYPDCPRLHJTKQ-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@@H](c1cccc(C2CC2)c1)[C@@H](C)CC	2028549472	NCWATIRAXZRBER-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CCCCCC1CC1	2028619705	VFXQMMUFJIFERP-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CC1(C)CC(CNC2CC2)(CC2(C)CCCC2)C1	2029106325	BCXCFOGOWHLBNG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(=CC1C[C@@H](C)C[C@H](C)C1)c1cccc(N)c1	2031801071	KHGCDDWPFKSIEB-STQMWFEESA-N	243.394	4.744	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@H]1CCC(C)(C)C1	2033388024	PNAUDTZKGZERDG-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
NC1(CC2CCCCC2)C[C@H]2CCCCC[C@@H]2C1	2035862848	SKWRKEWPLIWAFM-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](NC[C@@H]1CC12CCCC2)C1CCCC1	2036130842	XSGSUPAAYYQIJU-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@H]1NC1CC2(CCCC2)C1	2036538083	CKNNZBIXTTULAK-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
N[C@@]1(C2=CCCCCCC2)CCCC12CCCC2	2037074138	CAKGVTVUAUGHJH-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)CCCC1(C)CC1	2037179523	OAVIEGWCJHNUJF-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
C1CCC2(C1)CC[C@H](N1CCCC13CCCC3)C2	2037683683	UPTDXIPVBQUUAR-HNNXBMFYSA-N	247.426	4.508	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H](C)c1ccccc1	2043192241	UFHCRLYAHZRFPU-HUUCEWRRSA-N	243.394	4.616	0	10	BJAE	
CCC1(C)CC([C@H](N)C[C@H]2CCC=CCCC2)C1	2045329069	KWIYFTDTCBVEIZ-ORBLRFAASA-N	249.442	4.667	0	10	BJAE	
Cc1ccc([C@H](O)C[C@H]2CCC=CCCC2)cc1	2045334817	LVWCZWQLEDSTIQ-DOTOQJQBSA-N	244.378	4.555	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2CNC3(CCCCC3)C2)C1	2045514939	XSZFMGCSWNYBFM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN(C1CC2(CCCCC2)C1)[C@@H]1CCC(C)(C)C1	2046331922	NHKKKIHWPQXMEE-CQSZACIVSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1C[C@@H]1CC12CCCCC2	2047015395	IOTBYWMPHBIMJI-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
N[C@H](C1CCCCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2049224642	HLOXOSXPMUMOTD-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(CNC2CCCCCCCC2)CC=CCC1	2049671509	DWRWKKRPDFRMKY-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H]1CCCCCC[C@@H]1C[C@H]1C=CCC1	2049702765	AAEIKWZPQWBZMC-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(C[C@@H]2CCCC3(CC3)C2)C1	2049846546	UIXQYCBJDPYMDC-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](C1CCC(C)CC1)[C@]1(C)C=CCCC1	2050009446	YEVKWPNLEUNMDI-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@H](O)CC=C(C)C	2051399536	HXVQDDNUFZFFSX-USXIJHARSA-N	246.394	4.534	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCC1)C1(C)CCCCCCC1	2052501158	SCPBFEAQRXUHLW-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@H]1CCCCC12CC2	2053415224	GSGJSXCKEOBOOB-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C[C@]1(CN)CCCC12CC2)C1CCCCC1	2053418432	NDUMZTSWYLBHCM-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CCC[C@H]1C1(N)CCC2(CCCCC2)CC1	2055305229	XQBXSIQFOUSJMR-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)C1(C)CCC2(CC2)CC1	2056558286	DMUZTLKVSPGLKV-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC(=O)C23CCC(CC2)C3(C)C)C1	2056667891	MCGKAYKMHOKIQS-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1OCC1CC(C2CC2)C1	2056669918	QFAJHYVDPQLHTE-UHFFFAOYSA-N	244.378	4.625	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@]1(C)CC=CCC1	2056872188	APXVWGQWTPEKPT-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C1(C2CC2)CCCC1	2057601216	JVLPMMVGBGFILB-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H]1CCC12CCC2	2059259203	MZUHFQXUDMSZBU-KADIJHKTSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CCCCC[C@@H]2C)CC1	2061113103	LQVYFEPCGLEKFF-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@](C)(N)[C@@H]2CC2(C)C)CC1	2061114915	CKRJCRRFFJKFLP-MRRJBJDNSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC(C)(CN[C@@H]2CCCCCC23CC3)C1	2062021007	RRYIHTWINVQYPI-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC1(C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063418069	JHXXYZKZOYGFHU-QKDCVEJESA-N	248.410	4.742	0	10	BJAE	
CCC1(CC)CC(N)(CC2C[C@@H]3CCC[C@H]3C2)C1	2063495956	GIIWNGVCYJARSJ-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1C[C@H]2CCC[C@@H]2C1	2063520377	NIZYZXOKVDEMJB-QQQZDTRSSA-N	249.442	4.537	0	10	BJAE	
N[C@@H]1C[C@H](CCC2=CCCCC2)CC2(CCC2)C1	2063634842	GUOMMGAGPSLAHQ-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](Nc1cc(C)ccc1F)c1occc1C	2063670351	CDQKRVLDUQQNJI-ZDUSSCGKSA-N	247.313	4.599	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C23CCCC2CCC3)C1	2063853938	YYUKPHVAKWDKSG-FSOQPWQOSA-N	248.410	4.742	0	10	BJAE	
CCCCC1(CNC(C)(C)C)CC2(C1)CC21CC1	2064007828	MAGRGSQSJGPZHP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NCCCC1CCCCC1)C1CC2(CC2)C1	2064497045	GRTDBCPVXVAJJG-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NCCC1CCCCCC1)C1CC2(CC2)C1	2064501311	JMCMOWLLDNHQAG-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1CN[C@@H](CC)CCC(C)C	2065990848	RPPNRZUZGXQEAR-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C[C@@H]1CC12CCC2	2069196044	FGNVZZQWETYGSW-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC23CCC3)CCCCCCC1	2069201234	FEMCJTJKVXUBLF-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)C2(CC3CC3)CC2)C1	2069501987	YVLAAXAGRYMATH-NHAGDIPZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC2(CC3CC3)CCC2)C1	2069504403	AJVNTQSWVPAEML-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@]1(CC2(C(C)C)CCC2)CC=CCC1	2071940146	HXNLXIYUGWSCGI-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)C[C@H]3CCC[C@@H]32)CC1	2072807454	WJPTWEOUUHNFKR-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@@H]1CCCC12CCC2	2074633905	JMHFEHFVMRKKHR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H]2CCCC3(CC3)C2)CC1	2074647241	VQLRECLTXLBFMH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNc1ccccc1C1CCC1	2077262424	UDTGBBWHAOPFGG-UKRRQHHQSA-N	243.394	4.802	0	10	BJAE	
CCCCCc1ccc(C(=O)C2(C(C)C)CC2)o1	2077985554	BBMALBPMIFTUEQ-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@@H]1C1CCC1)C1CCCCC1	2079334613	XALUZTLJUYWHCL-VBNZEHGJSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@H]1C[C@@H]1C1CCCCCC1	2079431507	LQMRMHZYGSNOQW-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H]1C[C@@H]1C1CCCCC1	2079435843	QXNSTNNWPZMQHV-DZPCMMCASA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1C[C@@H]1C1CCCCC1	2079529527	MAWSQFIUIWFMNV-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CCCC1(NC[C@@H]2C[C@H]2C2CCCC2)CCCC1	2079651346	PTUQHZXPFQKIST-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]1C1CCCCC1)[C@@H]1C=CCCC1	2079841682	KEESAACONRQKQM-OWCLPIDISA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)CCC2=CCCCC2)[C@@H]1C	2081139409	CGRUQDFMOSMBLN-INMHGKMJSA-N	249.442	4.633	0	10	BJAE	
CCN[C@H](CC)c1ccc([C@H]2C[C@@H]2C(C)C)cc1	2082715486	QBGRSIGTNHSREE-BRWVUGGUSA-N	245.410	4.507	0	10	BJAE	
CC1(C)C[C@H](N[C@H]2CCCC3(CCC3)C2)C1(C)C	2084369606	ZLZVCYYNFKXDHS-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](N(C)CCC2=CCCCC2)C1	2085284528	PDEBJULRVXGNCI-DLBZAZTESA-N	249.442	4.633	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)C1(C)CCC1	2213575951	LEUKRCIQVHKZGK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCCCCC2CC2)[C@H]1O	2213581678	ZOHGBZWYWPYUMI-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC[C@@H](O)CC1CCCCC1	2215237623	QUTLXSNHSWLTAZ-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](NCC)[C@H]1CCC[C@@H](C(C)(C)C)C1	2216256247	HDYMBZXMBVJKFZ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CCCCCCCCC1CC1)NC	2216877547	NNQWVHWJCNYEPK-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)C[C@H](O)CCCCCCCCC1CC1	2216878561	DNNOTXOKDCCNHJ-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)NC[C@]1(CCC(C)C)CCC[C@@H]1C	2217125808	RQLYCKJXBPFSIF-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC(C)(C)C[C@@H]1CCC[C@H](C)C1	2217146017	VLBUYIKUWHFNOJ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CC1	2218356008	ILUSFJQDPKXBPV-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC=Cc1ccccc1	2219081992	LIMFBXBTPFCNNK-INIZCTEOSA-N	244.378	4.731	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@]2(C)CC=C(C)CC2)C1	2221632274	PVTBLHCXCVIJHD-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CCCC[C@](C)(O)CC[C@@H]1CCCCC12CC2	2246638016	MFXVRHXYWUBKFG-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1CC[C@@H]1CCC[C@@H](C)C1	2246661956	COFIYTLVEJNBJN-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC[C@@H]1CCC[C@H](C)C1)CNC	2246665056	JQVDALPFXKMUKB-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCC[C@@H](O)C(C)(C)C)C1	2246681418	VPIRVODQUFVIKJ-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@@H]1CCCCC[C@H]1O	2248819054	HKDHXKUCSBVBHN-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](CCCCC1CC1)NCC	2250353979	ZNCPQFGCGMJMBH-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](O)C1CC=CC1	2250477197	VEDVNTUIQKVGPB-ZBFHGGJFSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCC[C@@H](N)C1	2250479800	YRLZVNXHOWVCCC-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CN[C@H](C)C[C@H](C)CC[C@@H](C)CCCC(C)C	2250485200	KKJRCOVKKZBRON-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CC(C)=CCCNCC[C@@H](C)CCCC(C)C	2250528143	LZINOETXHUSEOB-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@]12CCC[C@H]1CC2	2251211877	ODHOWKGCGTZFGN-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CN(CC(C)(C)C)[C@H]1CC(C)(C)CCC1(C)C	2251708502	REJXJDDXVXTLLJ-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@H]1CCCC[C@@H]1C)CC2	2253852850	HPZPDIXXAGBYBS-RCBQFDQVSA-N	243.394	4.548	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)CC1CC2(CCCC2)C1	2254112363	DZLAEIJDCWCDLE-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@]12CCCC[C@@H]1CCC2	2254508479	BBUQDNJZYOCOEG-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CCNC2(CCCC2)C1	2254523144	RBMWGVRXUCCSEB-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(N)(C1CCC1)C1CCC1	2254609417	MGMXHIVVMRLBSG-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@H]2CCC23CCC3)C1	2254822832	UGCJJOMIMZAITF-ZBFHGGJFSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC[C@H]2CCCC23CC3)C1	2255318079	QJJHBFRDFPXOBQ-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@H]2CCCC23CC3)C1	2255327201	QCVIXACNHOSSHD-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H]2CC[C@H](C)C2)cc1	2256254588	UAZGOSFDPYMRTP-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CCCc1ccc([C@@H](N)C[C@@H](C)CC(C)C)cc1	2256295277	CKZMBNHHJBGOPW-YOEHRIQHSA-N	247.426	4.711	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1CC2(CC(C)C2)C1	2259514382	LCCUADLVNWBKKK-LYOOIAODSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@]12CCC[C@@H]1CC2	2260506235	IUSCRACFLLDSCK-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC[C@]12CCCC[C@@H]1CC2)C1CCCCC1	2260610105	BPRKYMPAGXBGHW-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
NCC1(C[C@@]23CCC[C@H]2CC3)CCCCCCC1	2260675619	YSQXPKOKBDYVMT-RDJZCZTQSA-N	249.442	4.646	0	10	BJAE	
C[C@H](Nc1cccc(C2CCCC2)c1)[C@@H]1C[C@H]1C	2260738089	PKLZUQVEHUYHRA-IIYDPXPESA-N	243.394	4.801	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)[C@@H]2C=CCCC2)C1	2261267254	JYXNDGWBRZUZGA-YMAMQOFZSA-N	248.410	4.764	0	10	BJAE	
CN[C@H](CCC1CC(C)C1)C[C@H]1C=CCCCC1	2261493952	VBYKNBOJNNYOJC-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@@](O)(CC)C1CCCCC1	2300672923	BNXMPOJUQXWAAU-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CC[C@H](CC[C@@H]1CC1(C)C)NC	2300684471	VBVZERPUCWMFHT-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCCCC1(C)C	2300698682	AXTJSRHAAMNZAX-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC(C)=CCNc1cc(C(C)C)ccc1C	2300865835	SCXDLZJELFKBBI-UHFFFAOYSA-N	231.383	4.887	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@H](CC)CC(C)C	2300872627	RJHPTQWJTHRQKX-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CCC(C)=CC[C@]1(O)CCCC[C@H]1C(C)(C)C	2300898377	CXGVRWYZWMICPJ-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)[C@@](O)(CC2CCCCCC2)CCC1	2301134908	DOOYZAZEIYZFMW-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)C[C@@H](C)CC(C)(C)C	2301702233	VMLACJVVTORDAR-SOUVJXGZSA-N	241.463	4.671	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N[C@@H](C)C1(C)CCCCC1	2301708562	VQSPEXRILGQZHC-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CCCc1ccccc1O[C@@H](C)[C@H](C)C(C)C	2301840979	RPRZHVIWMDZAFX-KGLIPLIRSA-N	234.383	4.699	0	10	BJAE	
CC(C)[C@@H](C)[C@@](C)(O)CC1CCC(C)(C)CC1	2301902963	PVCXOXBPKQZNSW-CJNGLKHVSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CCC(=O)CCC1=CCCCC1)C(F)F	2301926479	PFCDNBIRFHJVTL-LLVKDONJSA-N	244.325	4.518	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@@H](C)[C@H](C)C(C)C	2301964680	MKLKCZCCYUTLRY-QLFBSQMISA-N	240.431	4.946	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@H]1C)CCCC(C)(C)C	2302608754	BDUZTPWZSPJBER-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CC[C@H]1C(C)(C)C	2303397145	GPXIDIVUEAIMAV-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C)CC(C)(C)C[C@@H]1CCC(C)=C(C)C1	2303576247	UXYHXLIJENHYQI-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cccc(C(C)C)c1	2303658274	GWDMUGKXSGHPIA-CJNGLKHVSA-N	234.383	4.670	0	10	BJAE	
CCC[C@]1(CC[C@@H]2CCC(C)(C)C2)CCCN1	2304433969	GUBFXKGQNAGJML-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC(C)Sc1cccc(C(=O)CCC2CC2)c1	2307559037	IXCJKSZOCBKTEQ-UHFFFAOYSA-N	248.391	4.560	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)CC[C@@]12CCC[C@@H]1C2	2310388354	WXYFLEDWUHTTKX-OIISXLGYSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1CC[C@@]2(C)C[C@@H]12	2310539207	BLUMZHGJUSGKLU-NXOAAHMSSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC(=O)[C@@H](C[C@@H]2C[C@H]2C2CCCCCC2)C1	2311807199	XGBPHYAZVRVZBQ-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1ccc(C)c(CC)c1	2314714357	YRUXMXOHXBPSNH-KRWDZBQOSA-N	247.426	4.644	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1ccc(C2CC2)cc1	2316249012	VLLKMFHFSYMTAC-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@]12CCCC[C@H]1CC2	2316543001	VRQOTAZDFACBBU-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1cc(F)ccc1C1CC1	2319173218	GRRBMNROCNSZQN-HNNXBMFYSA-N	249.373	4.529	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@H]1CC[C@H]1C1CC1	2319582018	STTNJYDCPOQOOP-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1N[C@H]1CCCCC12CCC2	2320144088	LQZIQXQMGKGEJW-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320217599	NTLRFVQQHBEUAJ-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H]2CCCC(C)(C)CC2)CC1	2320237815	OBTHUXCTCXETOE-HOTGVXAUSA-N	249.442	4.824	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CCC(C)=C(C)C1)C1CCC1	2320329755	VCAZPUAVWMKMAT-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1CC[C@@H](C)C1	2320401791	MBFJVSKLPHFVQX-BASLNEPJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@H]2CCCC3(CC3)C2)C1	2321605458	LZBUCAXDLWZCER-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H](C=C1C[C@H]2CC[C@H]1C[C@@]2(C)N)CC(C)(C)C	2327763026	XSEPBOHKFDARBC-IARIHHJXSA-N	249.442	4.523	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cc(N)ccc2F)c1	2327782905	WMDHKFRYILFOKF-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)CCC(C)C)c1	21800547	GSDXTKVOKDCSNT-AWEZNQCLSA-N	219.372	4.540	0	10	BJAE	
CCC[C@@H](C)Nc1ccc(C(C)(C)C)cc1	22149507	WZZHKSGYINALFR-GFCCVEGCSA-N	219.372	4.585	0	10	BJAE	
CSc1ccc(C(=O)CC2CCCCC2)cc1	34429098	MMIYHJIHRPXYTM-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC1CCC(N[C@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	34995808	KCJFEERYDPAGFZ-LXJVZLBISA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@H](NC)c1csc2ccccc12	35499552	ACUIQFVBVKKILV-CQSZACIVSA-N	247.407	4.742	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H](c1ccccc1)C1CC1	37075167	ZOCKNAGPHHMUFK-RHSMWYFYSA-N	245.410	4.552	0	10	BJAE	
Cc1cc(C)c([C@@H](C)N[C@H](C)CC(C)C)c(C)c1	37261078	VGFFFTMDRXPHQQ-HZPDHXFCSA-N	247.426	4.697	0	10	BJAE	
C[C@H](N)c1ccccc1-c1cccc2ccccc12	38070144	GXFDKTKOSPVIPF-ZDUSSCGKSA-N	247.341	4.527	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(C)c(OC)c1C	69375743	SFXSSCZCVYVZFZ-AWEZNQCLSA-N	249.398	4.693	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCCC(C)(C)C1	79971156	FRXWXIRYBOHGEX-CQSZACIVSA-N	231.383	4.630	0	10	BJAE	
CCN[C@H](CCCCC(C)C)c1ccccc1	80424719	CFHIZWMVSIWMHZ-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C1CCC(C)CC1	85083077	FDMVZUFYGPMNLK-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
C[C@H](Oc1cccc2ccccc12)c1ccccc1	85152037	UPCFYHGRUGIAEM-AWEZNQCLSA-N	248.325	4.980	0	10	BJAE	
Cc1cccc(Cl)c1-c1cc(F)cc(F)c1	85389088	LBLJVNVTMGZUTQ-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CCC[C@H]1CCC[C@H](N[C@@H](C)c2ccco2)CC1	86939337	SJMRSVPBZAIEHT-KKUMJFAQSA-N	249.398	4.679	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC[C@H]2CC=CCC2)CC1	86945918	XMVJRYDJAFBCQM-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)c2ccc(C)c(C)c2)C1	87988505	OTJNZGCJFGTJHW-INMHGKMJSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@H](CC)c1nc2ccc(N)cc2s1	90306208	KRVKRJHJSGACOD-JTQLQIEISA-N	248.395	4.562	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)c1ccccc1C	109725516	CFABUNUERLDWPO-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCCCC[C@H](N[C@@H]1CC1(C)C)c1ccccc1	109942495	DCVXUIUAGDEKIT-JKSUJKDBSA-N	245.410	4.696	0	10	BJAE	
CCc1csc(-c2ccc3ccccc3c2)n1	132012004	LUMLJLMSSDZBRQ-UHFFFAOYSA-N	239.343	4.526	0	10	BJAE	
Cc1cnc(C2CCC(C(C)(C)C)CC2)s1	132088361	VTKGGDZXORASAN-UHFFFAOYSA-N	237.412	4.771	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)c1cccs1	161429742	RPRRMRHSTFFFME-CQSZACIVSA-N	249.423	4.679	0	10	BJAE	
Cc1cccc([C@H](O)C2(CC(C)C)CCCC2)c1	166572276	XPTYMHVJVKIEFL-INIZCTEOSA-N	246.394	4.635	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C2CCCCCC2)CC1	167643622	NRYNNMKGCFMXOL-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CNC/C(=C\C1CCCCCC1)C1CCCCC1	211488132	GYGLIAVYYDETAE-GHRIWEEISA-N	249.442	4.683	0	10	BJAE	
Cc1cccc([C@@H](N)[C@H]2CCCCC2(C)C)c1C	226828053	HOFXYAQFVOPDHO-HZPDHXFCSA-N	245.410	4.520	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)C2CCCCCC2)C1	227359549	NMTPTTRZNIMCML-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCCC[C@H]1N[C@H](C)C1CCCCC1	227918864	ALWRFQFXRKPJSM-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](C)NCC(C(C)C)C(C)C	229528838	LQAPUVUDGHJWPL-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCC1(CN[C@H]2CCC[C@@H](C3CC3)C2)CCCC1	233027339	CVFFUOPFKDCCRJ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H](C)c2ccccc2)C1	233915219	YEFRWSKIGAOVEQ-SQWLQELKSA-N	244.378	4.576	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@@H]3CCC[C@H]3C)c2c1	235277236	XWAMBQSXTFVWPW-DGCLKSJQSA-N	227.351	4.688	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H](C)[C@H]1C)c1ccccc1	251194935	UIKQWHSGHVLMLP-ABFRBSLYSA-N	245.410	4.552	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@H]1CCCCC1(C)C	252116706	IQXYJIYHFKAEMF-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](N)CCCC(C)(C)C	302358173	XJTGHNGCMCOEPO-JKSUJKDBSA-N	247.426	4.724	0	10	BJAE	
Cc1ccc(-c2csc(C(C)(C)C)n2)cc1F	302498666	KSYNFWBJPYGZGW-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CCCC[C@@H](CCC)NCC1(CC)CCC1	309759176	MDXOBNOFNGXJCJ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCCC1CCCCC1	310260427	CLZLGUGXOYEGPW-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCNCCC(C)(C)CC1CCC(C)CC1	310501208	JHLLDMSVYYLGNX-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H]1CCCC12CCCCC2	313005522	BYHQLSSUSSQWLO-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC(C)NCC1(CCC2CC2)CCCCCC1	317640288	PZKASZRCKHWFQY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)C)CCC[C@H](C)C1	317707509	IAGNZUVZBGETIA-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](c1ccccc1CC)[C@@H](C)[C@@H](C)CC	320057361	MAZIUZSLVYZEOT-ZQIUZPCESA-N	247.426	4.582	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)C(C)(C)C1CCC1	322451299	GBYNRRDEPNCZEJ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](N[C@H]1CCCC12CCCC2)C1CCCCC1	328106464	MUCKPVVWRUIPQO-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc([C@H](O)CC2CCC(C)CC2)cc1C	380897655	MDLIXEIEYQMQDC-MWHAMWOXSA-N	246.394	4.553	0	10	BJAE	
C1CCCC([C@@H]2NC[C@H]2C2CCCCC2)CCC1	385111142	CWGIGUNPJVNWOM-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](CCC(C)C)C1CC1	385367706	AJPROTHRJPOGBG-OAHLLOKOSA-N	249.373	4.761	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@@H](C)C(C)C	386396161	WCAPDRBZDUUBIK-YOEHRIQHSA-N	247.426	4.753	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccsc2Cl)C[C@H]1C	387275717	UMJGHIPEQMYZQS-BBBLOLIVSA-N	243.803	4.638	0	10	BJAE	
CCCC(CCC)NCC(C)(C)CC(C)C	391122234	BSEFCDKENMEEED-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)(CC)CNc1cc(C)cc(F)c1	395131390	RPBQYJRVDOTNDR-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CC[C@H](Nc1ccccc1SC)[C@H]1CC1(C)C	397627094	UJBSYKHVLKPMLL-NEPJUHHUSA-N	249.423	4.645	0	10	BJAE	
C1CCCC(CCC2CCC2)(CNC2CC2)CC1	398619654	DTGQQZZLGOIAHW-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
O[C@@H](CCC1CCC1)c1ccc2sccc2c1	398793706	QNVPFPAYRPXXST-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)[C@H](C)C(C)(C)C	399276490	SBRRHGYJLDOCME-XJKSGUPXSA-N	247.426	4.753	0	10	BJAE	
CCCNC/C(=C\C1(CCC)CCC1)C(C)C	686134032	SMRQCJIMSQJILD-NTCAYCPXSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H](C)CC1CCCC1	689827650	AGJDBOBSCXRWFQ-HUUCEWRRSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@H](C)C1CCC1	692681551	WMEHHPQUNZPPRA-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](NC)c1cc2ccccc2o1	696157477	JDJVTEAJFNITJD-ZDUSSCGKSA-N	245.366	4.520	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1ccc(C2CC2)cc1	696686165	ZOLPNENMLDFJQI-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CC[C@@](N)(CCC1=CCCCC1)c1ccccc1	702101460	VMWBTQNUOGJOFZ-QGZVFWFLSA-N	243.394	4.531	0	10	BJAE	
CC(C)CCCCC[C@H](O)CCCC(C)C	703980810	XMHCWCAIPSFKPL-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CC1(C[C@](C)(N)CC2CCCCC2)CCCC1	704889601	OBNSLNIZCSTXKG-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C1CCC(C)CC1	704894321	GYFLTCUXZGUKGX-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCCCC[C@H]1C	709165583	FNAURYNJYUFMJL-UKRRQHHQSA-N	231.383	4.630	0	10	BJAE	
CCc1ccc([C@@H](CC)NCC[C@@H](C)CC)cc1	710202095	WUZSIUGQCNQBDL-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CC[C@@H](C[C@H](N)c1cc(C)cc(C)c1)C(C)(C)C	711120602	NCHSDXZEEQCJJR-HOTGVXAUSA-N	247.426	4.766	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](C2CCCC2)C2CCC2)C1	711834896	ZBTBGTYRLPWUEZ-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@@H]1CC(C)(C)C	713168498	OCNFNVUORZPFBS-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H]1CC[C@@H](CC)C1	713261913	AFIGOSONBYSOFO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1(CC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CCC1	714428154	BQELPOQNIMCVTJ-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C)CCCC(C)C	718603041	DSJZXRHGXZKWMX-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@](O)(CC)CC1CCCCC1	723084606	FUZSDYDAXPHJCV-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
C[C@H](SCc1ccccc1)c1ccccc1F	1188538377	BREVAGMREINMSG-LBPRGKRZSA-N	246.350	4.820	0	10	BJAE	
C1=C(CCSCC2C[C@H]3C[C@@H]3C2)CCCC1	1459203905	OLEUQTUORSMAKL-GJZGRUSLSA-N	236.424	4.656	0	10	BJAE	
C=C/C=C\CCNC(C)(C)CC1CCCCCC1	1459964236	XXIRZSBEEUPRSU-WAYWQWQTSA-N	249.442	4.847	0	10	BJAE	
C=C/C=C\CCN(CCCC)[C@@H]1CCC[C@@H](C)C1	1460178902	SMAXWUBWSJMJDB-QXUXXFOKSA-N	249.442	4.800	0	10	BJAE	
Cc1cc(C)cc(CSc2ccccc2)c1	1643452438	CKINUYLRIHLYEQ-UHFFFAOYSA-N	228.360	4.596	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CC)c1ccsc1	1905453074	GXTNORAJNBNUOL-GXTWGEPZSA-N	239.428	4.529	0	10	BJAE	
C=CC=CCCC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	1905567198	PSHZOJWPVIEDBS-CZUORRHYSA-N	234.383	4.540	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@H]1CCCCC1(C)C	1908544725	IWQOHSZUYOADRY-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC(O)(CCC[C@@H]1C[C@@H]1C)CC(C)C	1908581421	GQAASLKOYRBCES-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(N)CC3(CCCCC3)C2)C1	1912729286	SDPPKCPVIJJBDF-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@H]1CCCCCCCC[C@H]1O	1913398457	PTWXPJSGNNIDSA-LSDHHAIUSA-N	226.404	4.678	0	10	BJAE	
CC(C)CC[C@@H]1CCCCCCCC[C@H]1N	1913402498	FDDLLSBCKDNLPU-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C)CCN[C@H]1CCC2(CCCCC2)C1	1915865843	QLAFWCCGIGBQLC-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccc([C@](C)(O)CCCC2CC2)cc1	1920020544	IGIMWLJUJYUZSH-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)C[C@H]1C=CCCCC1	1925761736	VLENKICWGBTVQI-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@@H]1C=CCCCC1	1925796347	XDYFESYZNYZIHC-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCCC1)C1(C)CCC1	1925898002	LRGMPFNAYWUYTE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](NCC(C)(CC)CC)c1ccsc1	1936265909	WRGQOHWAIAPEBN-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@@H](C)C(C)(C)C	1940794168	AWQFERLTKDOHJE-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)NCCC[C@H]1CC1(C)C	1940878356	VUFIHIBRTKYJLW-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CC1=CCCC1)NCC	1941268612	HUIFFCSUKQSLRY-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C(=O)CC(C)(C)C(C)C)C(C)C	1941273413	RPQRPNNYJTVOLA-AWEZNQCLSA-N	240.431	4.946	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CCCC1(C)CC1	1941688491	WNYAQFMYVNLHHI-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)C(C(C)C)C(C)C	1942802882	HNNYWVBQJYPYPG-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CC(C)(C)CC2(CC2)C1	1943080407	VGCZKVHYXLWHKD-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2CCC[C@H]2C)cc1	1944843018	OSNKOLNJBLADAZ-HIFRSBDPSA-N	231.383	4.658	0	10	BJAE	
CC(C)CCCCC[C@H](F)[C@@H](CN)CC(C)C	1945832606	VZFBUJLWFZTUAN-CABCVRRESA-N	245.426	4.552	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1cccc2sccc12	1945947798	PNSIRWPUPJWTJF-NHYWBVRUSA-N	247.407	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C1C(C)(C)C1(C)C	1946179717	KZSMPZOSCKVFIQ-GFCCVEGCSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cc(C)cc(C)c1	1947460828	LJSNJHNVSZQURG-HOCLYGCPSA-N	231.383	4.684	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)C1CCC(CC)CC1	1947517165	YTADUAMHIDOYMT-GYTBAZASSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)NCCCC1CCCC1	1948327392	PAJWRVSAFQBETM-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(C(=O)c2ccc(C3CC3)s2)C1	1948404666	BTVUXEZAYWSBDN-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C2=CCCCCC2)CC1	1948977500	GJLZNGLEHLOAPI-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(CC)C1(N)C[C@@H]2CCCCC[C@H]2C1	1949084883	SUZVQLIPSAZHJA-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)C2CCCCCCC2)C1	1949423609	YSMFJTUVYBQJML-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](O)C2CCCCCC2)CC1	1950910829	JTZPQXSBZRUABQ-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](NC[C@@H]1CCCC(C)(C)CC1)C(C)C	1950923028	QXIGOWSKZKJAHP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](NCC)c1cc(Cl)cs1	1958192889	PCIWDTDEFJXTLX-LLVKDONJSA-N	245.819	4.632	0	10	BJAE	
Cc1cccc(C)c1-c1nc([C@H]2C[C@H]2C)cs1	1970804981	CSUYEMNHTSBFHN-NEPJUHHUSA-N	243.375	4.550	0	10	BJAE	
Cc1cc(C)cc(-c2nc(CC(C)C)cs2)c1	1970821104	DPBYCAXNOCYGRS-UHFFFAOYSA-N	245.391	4.625	0	10	BJAE	
CCCC[C@H](CCC)NC1CC(CC)(CC)C1	1971389283	KQSJJABHIZGGID-AWEZNQCLSA-N	239.447	4.904	0	10	BJAE	
c1sc(C2CC3(CC3)C2)nc1C1CCCCC1	1973129002	SSIVJZLETKEEMM-UHFFFAOYSA-N	247.407	4.848	0	10	BJAE	
CCCC[C@](C)(CCC=C(C)C)CNCC	1978638218	KQOKWPKRTNSOLK-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CCCC(CCC)CN[C@H](C)C[C@H](C)CC	1981289985	OQWHQMDDGKMVEB-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)CC[C@H](N)C1(C)CCCCCCC1	1981416837	TVLJBFFHCMJXAJ-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
C1CC[C@@H]2C(CC3CC(=C4CC4)C3)[C@H]2CC1	1985531645	YRFRFBUFSBCURS-GJZGRUSLSA-N	216.368	4.703	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)C1(C)CCCC1	1987597788	BXVRWCUBHIRKAC-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCCCCCC(=O)CC[C@@H](C)C(F)(F)F	1989292578	BOYPWJUQFQHWCD-SNVBAGLBSA-N	238.293	4.505	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)CCC1CC1	1990099623	WXBUKXDQVZVXAA-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CCC[C@](O)(CC)C[C@H]1CCCC(C)(C)C1	1994034159	OULIULHKOQVHJC-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCC1(c2nc(C[C@H](C)CC)cs2)CC1	1995446077	ZHIMKERHTZZBLD-LLVKDONJSA-N	237.412	4.563	0	10	BJAE	
Cc1ccc2c(C3CCCC3)coc2c1C	1995497871	GUMXUBKADFSUKI-UHFFFAOYSA-N	214.308	4.707	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1CC[C@@H](C)C1	1996249418	FMTCULNNCJLOQL-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@@](O)(CC)C1CCC(C)(C)CC1	1996548699	SHFLJMILYDMYQS-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC[C@](O)(C[C@H]1CC[C@H](C)C1)C1CCCCC1	1996553074	OAZXGIISQNSGBP-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)C1CC=CC1	1997546701	OWUOETNHZGMQHF-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](CC)(CNCC)C[C@@H]1C=CCC1	2000503852	BICPJIHVYHKUAQ-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](C)N(C)C[C@@H]1CCC=CCCC1	2000894263	FIPQCIIHFYEQQI-JKSUJKDBSA-N	237.431	4.633	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@@H](CC)CC(C)C	2002516790	UDEBELPXWNQVOI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC(C)C)C1CCCCCCCC1	2003093964	AJNBDWWSYHNVLB-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@H]1CC1(N)CCCCCCCC1	2003097616	HFCFUKYKWMJCTG-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@@]1(C)C=CCCC1	2003321134	MKHKNXXMJWTIEJ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC=C(C)C)NCCC	2004228926	DPDWMRXGDBRBIY-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CCC1CC(NC2CCC(CC)(CC)CC2)C1	2004341544	LCRKJKHDVGJQBK-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H](C)c2sccc2C)CCC1	2006911717	CSLZPZLQIDTOAZ-UONOGXRCSA-N	249.423	4.596	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H](F)C1CCCCC1	2008755698	YXUVSQRPWWZPAK-GJZGRUSLSA-N	243.410	4.593	0	10	BJAE	
CC=CCCCC(=O)C12CCC(CC1)C2(C)C	2009572620	NYAGWTFHOJUGMJ-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC=CCCC[C@H](N)C1(C)CCCCCCC1	2009587766	FYCJEGJKFWOCRK-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H]1CCC[C@@H](CC)C1	2009593479	BHNQITJVWRTNNW-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCC1(CNCC)CCC(C)CC1	2009617178	PRIVBGDOSFHLBE-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](C)CC[C@H]1NCCC	2009628372	NKFGXOJLRRIYDV-PSVUTLLTSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC(C)C)C1=CCC(C)(C)CC1	2010718167	RHEAGCQTWQFVND-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC1=CCC(C)(C)CC1)C(C)(C)C	2010765350	AIALDRNKDXIVKI-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C)CC1CCCC1	2013264667	OXZIANYNFADERS-ZBFHGGJFSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(C)[C@H](N)c1sc2ccccc2c1C	2014290261	CCSIUJYCNYOVJD-CQSZACIVSA-N	247.407	4.646	0	10	BJAE	
CCCNC[C@@H](CC)CCC(C(C)C)C(C)C	2015343717	GCQIQQRQIJZHBC-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC2(CC)CCC2)CC1	2015594258	HNBMDBSCPHCOFN-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC1(CC(=O)C2CCCCCC2)CCC1	2015597156	ALVPOKRTOAUNDE-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC1([C@H](O)CC2(C(C)C)CCC2)CCC1	2017112569	PHHXJINCEISZON-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CC[C@@H](CCC)NC)CC1	2017731822	VZTNGKUUHPTJPX-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(CC(=O)CCC(C)C)CC1	2017764304	FFZVYVKDXFKJLO-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC(=O)[C@H]2C)CC1	2017774622	QWXOQWZXBWHKQB-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)Nc1nccc2ccsc12	2018079616	ORYTVJMUNCKTQE-LBPRGKRZSA-N	248.395	4.677	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC(C)(C)C(C)C	2018187183	DJOZRFDZJAJZFS-HNNXBMFYSA-N	241.463	4.959	0	10	BJAE	
C[C@@H](c1cccs1)N(C)[C@H]1C=CCCCCC1	2019124993	WDLOBCXGKDERBV-KBPBESRZSA-N	249.423	4.630	0	10	BJAE	
CCC(CC)CN(CC(C)C)C1CCCCC1	2020537590	PEOCXCPQTHPTKQ-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCCCC[C@H](C[C@H]1C[C@H]1C(C)(C)C)NC	2022486359	WOJSNVWLRQJATN-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1C[C@@H]1C1CCCC1	2022556053	CCAMYIWQJUTEFF-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C)CCC1CC(C)(C)CC(C)(C)C1	2024088126	DBKOOHBGNBPDPH-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)C[C@H]1CCCC(C)(C)C1	2024127997	IYDLFSVPTPIYRV-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C[C@@H]1C=CCC1)NC	2026173136	ZEIDILVXQXHKKD-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cccc2c1CCCC2	2029688112	WQOJFRYDKDDSQR-CYBMUJFWSA-N	244.378	4.574	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(N)[C@@H](C)CCC(C)C)c1	2029822323	AZKVETWVJXGHBR-RDJZCZTQSA-N	247.426	4.550	0	10	BJAE	
C[C@H](NC[C@@]12CCCC[C@H]1CCC2)C1CCCC1	2031809037	OSNPJSUOLTVIFN-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](O)(C[C@H]1CCC[C@H]1C)c1ccccc1	2032558493	RFQRADGRWIAZMT-INMHGKMJSA-N	246.394	4.501	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@H]2CC[C@@H](F)C2)c2ccccc2N1	2032949094	RABXKCCACANSEF-XJFOESAGSA-N	247.357	4.503	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1(C2CCCC2)CCC1	2033048978	QZPROTKQEPITCT-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)C1(C)CC(C)C1	2035586388	ABJLPUNYZZMYIX-VUROTCPHSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1(CC2(C)CCCC2)CC2(CC2)C1	2036191715	UFRGBRUXRUDGKH-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@H](C)[C@H](C)CC(C)C	2036385176	UHSRRQWFLCVQPO-BZUAXINKSA-N	247.426	4.716	0	10	BJAE	
CCCc1ccc([C@@](C)(N)C(C)(CC)CC)cc1	2037216188	BETXWTZOWLMIGX-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCNCC1([C@@H]2CCC(C)(C)C2)CCC=CCC1	2037687016	PSJAIYDNCIUBIR-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
NCC[C@@H]1CCC[C@@H]([C@@H]2CCC3(CCCC3)C2)C1	2038879550	IAXGQVKMTBHQGM-ARFHVFGLSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCCc2nc(C3CCC(C)(C)CC3)[nH]c21	2039359845	NJJNJMLIFTYFCW-LLVKDONJSA-N	246.398	4.533	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@H]2CC=CCC2)CC1	2039386718	UJJBOJRFGOVRGL-JYJNAYRXSA-N	249.442	4.667	0	10	BJAE	
Cc1ccccc1[C@@H](O)[C@@H]1CCCC(C)(C)CC1	2039387198	VSLZKCCNJGNAFY-ZBFHGGJFSA-N	246.394	4.635	0	10	BJAE	
C[C@H](NC1CC2(CCCC2)C1)C1(C)CCCCC1	2039867811	KPKHCGXNUBOLBK-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1cccc2ccccc12	2040315297	CVGLPPNUUQSGOG-ZDUSSCGKSA-N	239.362	4.830	0	10	BJAE	
C[C@H](NC1[C@H]2CCC[C@H]1CC2)C1(C)CCCCC1	2042050587	UXCTZPGFYIQRPT-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CC(C)CNCC1(CCCC2(C)CC2)CC=CC1	2042097341	URVZKDBBOLUCHN-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC(N)(C[C@H]2C=CCCCC2)CC1(C)C	2042335586	WQWVMXUIMOBVCP-AWEZNQCLSA-N	249.442	4.667	0	10	BJAE	
N[C@@H](CCC1CCC1)c1cccc(C2CCC2)c1	2042738649	OPLICKYLVUGMIY-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC12CCC2)C1CC(C)(C)C1	2043540910	OVZVWXALDKEFIQ-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CCC=CCCC1)C1CCCC1	2045304843	JNJVSPWQTOSAAD-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H]([C@H]1CCCC(C)(C)C1)[C@H]1CC=CCC1	2045391735	PCBAUXLKCNZGJP-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1[C@@H](C2(N)CCC3(CCCCC3)CC2)[C@@H]1C	2045672930	ZHDRSOBZBDQKPY-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCCCN(CC1CC(C)(C)C1)c1ccccc1	2046577093	KNCAMHXRBMZDSA-UHFFFAOYSA-N	245.410	4.729	0	10	BJAE	
CC(C)C(C)(C)CN1c2ccccc2CC[C@@H]1C	2046579938	WKZHKERQZAPJRC-AWEZNQCLSA-N	245.410	4.510	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@H]1CC12CCCC2	2047060315	WRMQMIFMUFLCMZ-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047423926	FXHGRCLMFSLMIE-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC(=O)[C@H]1[C@H]2CCCC[C@H]21)C1CCCCC1	2048374038	NVYXUVMODRHWMB-JJAZEVLHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048469923	GEHAXBNMDMNMDN-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCCC1)CC1CCC2(CC1)CC2	2049858593	PKIJGIYRYQQEGY-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
C1CCCC(NC2C3CCCC2CCC3)CCC1	2050040987	CHUPPETWTJKZKH-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CN[C@@H](CC[C@@H](C)CC(C)C)c1ccc(C)cc1	2050432307	VHRIZCBXGOFZJL-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CC=CCC2)CCCCCCC1	2052475154	IAEQCYHFQCHBQF-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
N[C@]1(C[C@H]2CCC=CCCC2)CCCCC12CC2	2053312002	ZVYLJGZMTLQHAW-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H](Nc1ccc(CF)cc1)c1ccccc1	2055675372	WAPIMNNPSGRYEI-MRXNPFEDSA-N	243.325	4.719	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2ccc(CF)cc2)C1	2055678341	OQECUKRIYNVVHZ-WFASDCNBSA-N	247.357	4.560	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2056781449	GUKDNZDIIMPDTB-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@@H](N)C=C2CCCCC2)C1(C)C	2056880586	CPDPSGAROLTOSV-UKPHBRMFSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C=C2CCCCC2)CC1	2056909269	BCYQZYQNZLTMGL-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H](F)C2CCCCC2)c1	2058032815	ZNOJKZXTMQDQDA-MRXNPFEDSA-N	249.373	4.634	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@@H]1[C@@H]1CC12CCCCC2	2059469464	JNYVYJIQNOBUQE-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
c1ccc2cc(NC3CC(=C4CC4)C3)ccc2c1	2061260156	JSWVKSBDPNIWEN-UHFFFAOYSA-N	235.330	4.505	0	10	BJAE	
C[C@H](C(=O)CC1CC(=C2CC2)C1)C1CCCCC1	2061696941	WVWGIZUDZOTSSL-LBPRGKRZSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC2(CC(C[C@@H](N)CCC3CCC3)C2)C1	2063212151	XPQJKLXKKHWYPT-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2C[C@H]3CCC[C@@H]3C2)C1	2063534962	DRBXAFUAJXDFAE-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
O[C@H]1C[C@@H](CCC2=CCCCC2)CC2(CCC2)C1	2063686833	INIRAJSHIWLMEP-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C1CCCCC1)C12CCCC1CCC2	2063821583	JAXIMNUQOFJUQK-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068698848	NBBCRXFDUROAIW-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@]23CCC[C@@H]2C3)CCCC1	2070861222	JMRCNHXPMALBBQ-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CC)C1=CC[C@H](C)CC1	2071509022	ZXNLJSGTIHZELU-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@H](O)CCC2(C(C)C)CCC2)c1	2071903195	DWIIKPFEELNKRN-MRXNPFEDSA-N	246.394	4.635	0	10	BJAE	
CC(C)(C)C1(Cn2ccc3ccccc32)CCC1	2071913876	WLYPWNODIRMJQJ-UHFFFAOYSA-N	241.378	4.858	0	10	BJAE	
CCc1ccccc1NCC1(C(C)(C)C)CCC1	2071951254	SOJSEJNBMIXIPC-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)C2CC3(CC3)C2)CC1	2072789972	BTILPOASYFBMRK-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1C(=O)C[C@H]1CC[C@H](C)CC1	2072871354	NUAXPLSMMMPLMQ-HDJSIYSDSA-N	244.378	4.648	0	10	BJAE	
CCCCC[C@@](O)(CC)c1coc2ccccc12	2073347538	QKMOYZQIQVESDJ-INIZCTEOSA-N	246.350	4.611	0	10	BJAE	
CCc1cc(NC[C@@]23CCCC[C@H]2C3)ccc1C	2074045582	FXDPCZSUICMPGR-RDJZCZTQSA-N	243.394	4.550	0	10	BJAE	
CCCCN(C[C@@H](C)c1ccccc1)[C@H](C)CC	2075143548	HMQRKHYFSSPUET-HZPDHXFCSA-N	247.426	4.691	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)C(C)(C)[C@H]2CC[C@@]1(C)C2	2075812870	ZWILAXCZNUJDKC-BHYGNILZSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](CC2CC(C3CCC3)C2)C1=O	2076450651	OLQOTRSUVFTVBF-HNFVBEJKSA-N	248.410	4.598	0	10	BJAE	
CCCCN(C1CCCCCC1)[C@H]1C=CCCC1	2076553916	ZEKUKQJVRNVFIT-KRWDZBQOSA-N	249.442	4.920	0	10	BJAE	
CC1(CCCC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1	2079484005	GZVGMPROWOCDLB-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CC(=O)C1CC2(CCCCC2)C1	2079865613	PBWMXAZJHZQCMU-UKRRQHHQSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)CCC[C@H]2CCCC[C@H]21	2081137487	PTSJLOYNNGYPQO-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCCCCC(=O)c1ccc2c(c1)CCC2(C)C	2082273704	FFEIIDCBLBNAMW-UHFFFAOYSA-N	244.378	4.673	0	10	BJAE	
C(CC1CCCCC1)=C1CCCNC12CCCC2	2083816492	VNMPQFIBGAHWMZ-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1sc(C)c(C)c1C	2211702165	RFDBAJCRDCESOA-ZANVPECISA-N	240.412	4.533	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CCC[C@@H]1C	2212632063	YXNLCVBITSTEMO-GXFFZTMASA-N	237.774	4.503	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)CCCCCCC1CC1	2213577435	BOOQGIHAKQNYGK-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CCCCC1CC1)C1CCCCCC1	2214586203	VFJZCFUTEOFWBV-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC[C@H]2C[C@@H]2C)CC1	2215265862	MJFSLLHDGHZQSK-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CC2(C)CC(C)(C)C2)C1	2215440215	PNEQCEPXKCZZGV-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@H]2CCCC[C@@H]2C)CC1	2215821188	MFNAZQWALMIDQY-DZKIICNBSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)CN[C@H]1CCC[C@@H](C(C)(C)C)C1	2216255022	BLFVICRYXLABTE-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@@H](N)CCCCC(F)F)C(C)(C)C	2216426869	DKHJQPYADQIVLO-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
CCC(N)(CC)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216761814	ONLLNLPNAMYFHH-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CCCNCC1	2216890844	GVPOGWNXJHVBCO-HNNXBMFYSA-N	237.431	4.517	0	10	BJAE	
CC[C@H](C)NC[C@@H](C[C@@H](C)C(C)C)C(C)(C)C	2217138806	NDGSOOOXCSZOJD-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C1C[C@H]2CCC[C@H](C1)C2	2218350052	JQRFAFQUCWAGAB-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CC(NC2CCC(C3CC3)CC2)C1	2218897396	VQTSACQBBQOWKU-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)C2(C)CC3(CCC3)C2)C1	2221017515	UZVFYKKSUUDZBB-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(NC[C@]2(C)CC=C(C)CC2)CC1	2221644042	QRGQXPMDQFFTOO-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
Cc1cocc1[C@H](N)CCCCCCCC1CC1	2223133057	RPOBOPBGSSQHIH-MRXNPFEDSA-N	249.398	4.729	0	10	BJAE	
CCCN[C@H]([C@@H](C)c1ccc(C)cc1)C(C)(C)C	2223963662	KXWUEFIPBPWBLR-GOEBONIOSA-N	247.426	4.513	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)c2csc(C)c2C)C1	2246372440	XTGHZKREPCGQSO-ZANVPECISA-N	248.391	4.540	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@@H]1CCCCC12CC2	2246596911	DGTNTOYRIFJNCI-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)NCCCC[C@H]1C[C@H]1C	2247098794	REXUIATZKXUTQV-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](O)CC1(C)CCCC1	2247172540	ATQAXMPDOZMBHA-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@@H](N)CCCC[C@H]2C[C@@H]2C)CCC1	2247175499	JMIPVQSHAUZPCD-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C[C@H]1CCC1(C)C	2247306100	GNJDWSVDUKSMQR-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CCNC[C@](CC)(CC1=CCCCC1)C(C)C	2247493604	BZRSFZFSQVNURN-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](N)(CC)CC[C@@H]1CCCC12CC2	2247604193	AEHCEAWTGZWEBN-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2CC23CCC3)c(Cl)c1	2248282590	GCDFTAKUKNNCGE-VXGBXAGGSA-N	249.785	4.639	0	10	BJAE	
CCC(CC)C(=O)c1cc(C)c2sccc2c1	2248566963	IZSCWGDIUGLFFE-UHFFFAOYSA-N	246.375	4.829	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CCCCC[C@H]1C[C@H]1C	2248866354	OVBJGFYFJWEZFH-ILXRZTDVSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1(C)CCCC1)NCC	2250351894	HTVWONPJTFZYKT-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cccc2ccsc12	2250362713	WTOHTJPZXZFCLH-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)[C@H](C)C1CC1	2250479490	VLHCBPANRYHUQG-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](NCCC)[C@]12CCCC[C@@H]1CC2	2251100658	QYQIJIWLEGSADL-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@]12CCCC[C@@H]1CC2	2251157242	GXJBUFLWBRRXSL-CZUORRHYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C[C@@]12CCCC[C@H]1CC2)NCC	2251218967	URVGPUFMGMFNGG-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](C2CCCCC2)C1=O	2251713647	SUODWAFRIUROFP-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(CC(=O)c2ccc(C3CC3)cc2)C1	2253681546	QLVATTDYQKAECW-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC[C@H](C)C(=O)CCC12CC3CC(CC(C3)C1)C2	2253979348	WCKNDAMGTZRGLP-ORVZXPRGSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@@](O)(CC2CC3(CCCC3)C2)CCC1	2254077591	HQZDVSKSLNBAQT-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@H]2C[C@H]2C)c(C)c1	2254612472	WJENDSNHXQEWPM-HIFRSBDPSA-N	244.378	4.703	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)c1cc(C)ccc1C	2259451012	BKTWNKHWEWGAMP-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@]23CCCC[C@H]2CC3)C1	2260577713	HHMYONVRBMZRSN-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C)([C@H](N)C[C@]23CCCC[C@H]2CC3)C1	2260577996	JDQUUCRUOPMYFC-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1NC[C@@]12CCCC[C@@H]1CC2	2260621470	LPTCJJCEEMTGSL-WBVHZDCISA-N	243.394	4.631	0	10	BJAE	
CCCCCC1CC(N)(C[C@@]23CCC[C@@H]2CC3)C1	2260667342	CPDOJKWZHBIKOL-GMRIPVOYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@]12CCCC[C@H]1CC2)C1CCCC1	2260678449	LJBBVVOLOKNKJB-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)c1cccc(C2CCCC2)c1	2260727404	OPULQQSHJSUTOJ-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC[C@@H]2C[C@@H]2CC)C1	2298134492	CRCXKXHNPABXBB-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC1CCC1)n1ccc2c(F)cccc21	2298936346	PIULNTNTJPIYSD-LLVKDONJSA-N	231.314	4.532	0	10	BJAE	
CCC(CC)CC[C@H](N)C1CC(C(C)(C)C)C1	2300674976	AAEWBDNYVSWQJS-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@H](NC)C1(CC)CCCC1	2300683995	PLIIOZGBLVRISP-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)=CC[C@@]1(N)C[C@H](C)CCC1=C(C)C	2300873003	VHBPYGJFNXPDKS-GDBMZVCRSA-N	235.415	4.587	0	10	BJAE	
CC(=CCC(=O)C[C@H]1C[C@@H]1C)CCCC(C)C	2300927502	VYYGANPRBDJZDA-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
CC(C)CNC[C@@H](C)CCC1CCCCCC1	2301141929	DTXLRLJOABYIMG-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@@H]2C[C@@H]3CC[C@@H]3C2)n1	2302267643	JWRDZHLUTDQNAQ-NOOOWODRSA-N	247.407	4.560	0	10	BJAE	
CN(CCCC1=CCCCC1)C1CCCCC1	2302344749	JSLHWEACMDCCEE-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@H]1CCC(C)=C(C)C1	2303526851	RPEHRIICPJCRKB-ARFHVFGLSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CC)C[C@H](C)CC	2303567761	FHSRNLPDGZCWQL-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@@H](C)C2CC2)CC1	2303577174	GAEOEKIESCIXKL-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)[C@H](N)c1cc(C)ccc1C(C)C	2307506937	YEQBSJOZHTYKLO-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@H](N)C[C@@H]1C=CCCCC1	2309889986	JTVHBDYWACRYST-YYIAUSFCSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H]1C[C@H]1C1CCC1	2311481696	MYGUJEHLNUOGPP-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC1(CN2CCCCCC2(C)C)CC2(CCC2)C1	2313615724	WUVCFOFSWAABGT-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(=CC[C@]1(N)CCC2CC1C2)CCCC(C)C	2316562360	BIIVNECUXLPHHD-JCYILVPMSA-N	249.442	4.667	0	10	BJAE	
C1CCCC(C[C@@H]2CC[C@@H]3CCCC[C@H]3N2)CC1	2317014167	WQTBLFJHRGMRFX-YESZJQIVSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)CCCC[C@@H]3C[C@@H]32)C1	2319244067	RVCSJMRQEOEOBG-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)C(=O)[C@H](c1ccccc1)C1CCCC1	2319603519	QVKVZCCVABYJOU-CZUORRHYSA-N	244.378	4.576	0	10	BJAE	
CC1(C(=O)CC[C@H]2CC[C@H]2C2CC2)CCCCC1	2319736416	DUMSJGPALFWHQX-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2CCC(C)=C(C)C2)C1	2320410668	AMMNOQDTQXTTBZ-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2320422438	HBOIGFNVJUBUNO-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)C1	2321607643	HIONKLHIRACGHK-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@]3(C)C[C@H]23)c1F	2327804600	RZGGHRBUCRWAOV-XJKCOSOUSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](CC)CC1(CNC2CCC2)CC=CC1	2328305894	DLTFJGPRXVPEFZ-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H](C)N[C@H](C)c1ccc2ccccc2c1	20523222	IHFRFVBPNGCYIO-ZIAGYGMSSA-N	241.378	4.535	0	10	BJAE	
C[C@@H](Nc1cccc(Cl)c1)c1cccc(F)c1	21521125	VZHSITWDUNIKKA-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CCCCCCN[C@H]1CCCC[C@H]1C(C)(C)C	22147775	AQWYASVCPHPRNQ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C=CC[C@@H](Nc1ccc(Cl)cc1)c1ccco1	34547043	TVCOTNOKKGIGHH-CYBMUJFWSA-N	247.725	4.662	0	10	BJAE	
CCc1cccc2c(Cl)cc(C(C)(C)C)nc12	36912867	KCJVKGJBBPTWCQ-UHFFFAOYSA-N	247.769	4.748	0	10	BJAE	
CCCCNc1ccccc1SC(F)(F)F	36934494	DLFXVHQPPWPYOC-UHFFFAOYSA-N	249.301	4.511	0	10	BJAE	
CCc1ccc([C@H](CC)Nc2ccccc2)cc1	37223554	FURSJMRIMBANNO-KRWDZBQOSA-N	239.362	4.812	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)c2ccccc2)c(C)c1	37763514	WUVQDHJHRTWDIU-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCCCC[C@H](O)c1ccc(Cl)c(Cl)c1	40260262	CNELHOHMJKBWBR-LBPRGKRZSA-N	247.165	4.607	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)c1cccc(Cl)c1	50400300	KODAWPBHEOXKLL-SMDDNHRTSA-N	239.790	4.569	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](CC)CCCC	68985781	BVWBKXPEINRXDQ-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1cc(C)cc(C)c1	70977633	XOERPJACEIPENX-GOEBONIOSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CCC(C)C)NC	71085344	QDXJXHZYGXTVCR-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
C[C@H](c1ccccc1)c1nc(C(C)(C)C)cs1	75842057	WSANRMYZRZPVIA-LLVKDONJSA-N	245.391	4.592	0	10	BJAE	
CCc1cccc(O[C@@H]2CCCC[C@@H]2CC)c1	85150874	XBIACTKGYOMOIV-GOEBONIOSA-N	232.367	4.597	0	10	BJAE	
CCCC[C@H](CC)Cn1c(C)nc2ccccc21	94165907	BMIDJVNTZNJFFK-AWEZNQCLSA-N	244.382	4.561	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCCCC2(C)C)c1	94279915	HHOSZCYSPJJXLP-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	94322016	SXFZQGUKZGGTMP-ZJIFWQFVSA-N	249.442	4.514	0	10	BJAE	
CCCCC(=O)c1cc(C(C)(C)C)ccc1CC	107768775	ZENKRSASQLXCAU-UHFFFAOYSA-N	246.394	4.919	0	10	BJAE	
CCCC[C@@H](C)NCc1ccc(C(C)(C)C)cc1	109946761	PAQCOYZKEZHOMA-CQSZACIVSA-N	247.426	4.652	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CC)Cc1ccccc1	116383538	OOVZCEMCYXJOTB-RDJZCZTQSA-N	247.426	4.566	0	10	BJAE	
CCCC[C@@H](CC)c1nc2c(C)cc(C)cc2[nH]1	122321318	NOYMNSBYCDPWJN-CYBMUJFWSA-N	244.382	4.864	0	10	BJAE	
CCc1ccc([C@@H](CC)NCCC(C)(C)C)cc1	123941418	KWRUNEGOOOCUSU-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1ccc(CC)c(CC)c1	128000094	OMRPVYPMBRXHMA-GUYCJALGSA-N	247.426	4.508	0	10	BJAE	
CC1(C)CC[C@@H](Nc2ccccc2C(C)(C)C)C1	129333638	XCJBGWOEMMTVPX-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCCC(C)(C)C	130425050	KMJNYTKHOBKAOQ-UHFFFAOYSA-N	234.383	4.933	0	10	BJAE	
CCCCCc1ccc2nc(Cl)cc(C)c2c1	141030854	YONNDNZZVQICAQ-UHFFFAOYSA-N	247.769	4.929	0	10	BJAE	
CC(C)c1csc2ccc(Cl)cc12	141439419	QWJTWTRDBBMJNT-UHFFFAOYSA-N	210.729	4.678	0	10	BJAE	
CCCN[C@H](CC(C)C)C1CCCCCCC1	159106898	AUBXBGKOEMCGQY-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CCCC(C)C)CC1	165634815	AQSMTIZKRFAGFE-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)c1	166035314	JJXKUINNJFTMQS-RRFJBIMHSA-N	244.378	4.558	0	10	BJAE	
CCCN[C@H](CCCC1CCCCC1)C1CC1	203530632	VRGNQBBAHNFGDR-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCCC/C(C)=C\CCNCC(C)C	212005944	PZQYIUQAFYUXIW-PTNGSMBKSA-N	225.420	4.539	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@H]2CCC[C@@H]2C)cc1	226525025	ICULXUSJLUYSCO-BBRMVZONSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)c2cccc(C)c2C)C1	226984068	CRUIOQJZRLHKIV-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H](c1c[nH]c2ccc(C)cc12)C(C)C	233992807	LMCQVSLXCXWGOD-GFCCVEGCSA-N	215.340	4.626	0	10	BJAE	
CC(C)(C)CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1N	250701776	ODUJASRDIYEZAK-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@@H]1CCCC[C@H]1CC	250738253	COUNMDJKHSYONE-FMKPAKJESA-N	249.398	4.537	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@H](CC)c1ccccc1	253043968	NRNRSXRWNDVWLX-DJIMGWMZSA-N	247.426	4.595	0	10	BJAE	
Fc1ccc2c(c1)[C@H](C1CCCCCC1)CCN2	257850593	AZLINMNRBFGIMU-AWEZNQCLSA-N	247.357	4.695	0	10	BJAE	
CCCC[C@@H](CCC1CCCC1)NC(C)C	300722989	CGXNRZGGODIYDG-HNNXBMFYSA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@H](C)CCCC	300907563	JRFTUANZWHNQAD-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](CCCCCC(C)(C)C)NCC	300966897	ZFRCKHVCYNNTIY-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
Cc1ccc2c(ccn2C2CCC(C)CC2)c1	301865556	VTQJQCGBRFOZGA-UHFFFAOYSA-N	227.351	4.701	0	10	BJAE	
C[C@H](CCC1CCCCC1)[C@@H](O)c1ccccc1	302299403	ZIIXWAHSANKULV-RHSMWYFYSA-N	246.394	4.717	0	10	BJAE	
CSc1sc2ccc(Cl)cc2c1Cl	307371403	PYDUQPXEWDXVQF-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](O)([C@H](C)CC(C)C)C1	310177256	RSQAWVAINZJLQU-OWCLPIDISA-N	240.431	4.636	0	10	BJAE	
CC(C)C1CCC(C(=O)CC2(C)CCC2)CC1	310307623	DAMAZDRNWSTUNN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC)NC/C=C\c1ccccc1	310599295	RMDPOZBCDWQFIZ-GQPJMJRUSA-N	245.410	4.648	0	10	BJAE	
CCC[C@@H](CC)N[C@@H]1CCCC12CCCCC2	313098778	FUWDZBWTMUSEKN-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)NCCCC(C)(C)C)c1	313266610	RJWBVISUWVYPIR-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](Nc1cc(C)ccc1F)C1CCCC1	313409352	NJQVFHDPUMEAMV-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
CCCNC[C@@]1(CCC(C)(C)C)CC[C@H](C)C1	319296857	ODJXWBXWUACWOI-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCCC1CCC([C@@H](N)[C@H](C)C(C)C)CC1	319691164	WLYARABCDUMREA-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](NC)c1c(C)cc(C)cc1C	320006143	HMGMUFBFIKKUHU-MJEQTWJJSA-N	247.426	4.555	0	10	BJAE	
Cc1cccc(C)c1NCC1CCC(C)(C)CC1	381007327	KKBDWQYZUYISAC-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1[C@H](O)c1ccc(C(C)C)cc1	387824676	MXJIBKGSXKMTDF-IXDOHACOSA-N	246.394	4.526	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)C(CC)(CC)CC)C1	395115030	FSQIULFCCADZAX-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CC/C(=C/C(CC)(CC)CC)CNC(C)C	395128759	PVIWEAGSYYHSIG-KAMYIIQDSA-N	225.420	4.537	0	10	BJAE	
CCOc1cc2cc(CC)cc(Cl)c2s1	396187782	IZWWXVDTUBGGTC-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CN[C@H](CC1=CCCC1)c1ccc(C(C)C)cc1	400455317	IMPNYHHXGAPOJM-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC(C)C1CCC(C(=O)CC2=CCCC2)CC1	401034986	OFDNNGBUIJKTAS-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC(C)C)CC1(C)CC1	401394529	KXFGBLVSLMXUDN-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](N)c1coc2ccccc12	404313326	YAPUBMGOSBGQQY-INIZCTEOSA-N	245.366	4.649	0	10	BJAE	
CCC[C@@H](NCCC(C)(C)CC)[C@H]1CC1(C)C	686311956	MJUCPZTXCNHGBP-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1ccc(C)cc1	691143837	ZNENGARQZUVPPA-GDBMZVCRSA-N	231.383	4.766	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H](C)C1CCC1	692679435	RGEATKANJIATRW-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(C(C)(C)C)ccc1C(F)(F)F	694937125	BXBRVAKNFADOET-UHFFFAOYSA-N	230.273	4.565	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CCC(C)(C)CC)C1	696734912	BXKDOLONEOCDBK-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H]2C[C@@H]2C(C)(C)C)cc1	699951137	FNBMHNULAJPYEL-PMPSAXMXSA-N	246.394	4.526	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cc(Cl)ccc1C	701089636	FXMCEJCNFOKZQA-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C(C)(CC)CC	701166184	JNYPTGMWVYFXJS-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@]1(C)CC1(C)C	702162672	WJQGDJVMKPWUQM-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCCC23CCCC3)C1	704448020	UTUNBMBBAQAODW-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)(CC)N[C@H](C)[C@]12CCCC[C@@H]1C2	709088520	XALCRNMVNOWZAP-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCCC(N)(CCC)C[C@@H](C)CC(C)(C)C	709200320	JAKOEKHYKQSEGJ-ZDUSSCGKSA-N	227.436	4.747	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](C[C@H](CC)C(C)(C)C)NC	711176884	FALKJIDEDDVLEL-AJNGGQMLSA-N	241.463	4.719	0	10	BJAE	
CC1(C)C[C@]1(C)CNc1cccc(C2CCC2)c1	717124419	HDLZQCZGJXPGON-QGZVFWFLSA-N	243.394	4.802	0	10	BJAE	
CCC(CC)C[C@](O)(CC)CC1CCCCC1	720976182	CTOXGGXAHJPUFL-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(CC)C(=O)Cc1ccc(C(C)C)cc1	721707182	YJECUSKZAGHXEA-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C1CCCC1)C1CC1	724015864	XXCQSRDXGYLFDL-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)CCC=C(C)C)C1	1205889456	HGRCIRQIODRCFN-XHSDSOJGSA-N	237.431	4.680	0	10	BJAE	
C/C(=C\Cl)CS[C@H]1C=CCCCCC1	1613734531	LRXBAVGCGCNLHO-XKNAPLPMSA-N	230.804	4.751	0	10	BJAE	
C1=C[C@H](N2CCC[C@@H]2CCC2CCCC2)CCC1	1657809625	DKGYCOPLNMKNAG-DLBZAZTESA-N	247.426	4.530	0	10	BJAE	
CC[C@H]1CCC[C@H](C(C)=CCCNC(C)C)C1	1876996362	BTPAYZIGGZHQLJ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](O)C[C@H](C)CC(C)(C)C	1900885635	QSXXYGMDCCBPHX-UONOGXRCSA-N	226.404	4.556	0	10	BJAE	
CCCCCC(=O)C[C@@H]1CCC(C)=C(C)C1	1902847275	FRIGVTORXWBSHT-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CCC)C(C)(C)C	1905373720	ISHRLIQOWSWCAY-ZFWWWQNUSA-N	228.420	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C=CCCNC(C)(C)C	1905732868	HTGWTDSEBNUWOP-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@@H](O)CCCC(C)(C)C	1907595669	ZVLCUKNICNRARO-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C1CC2(CCCCC2)C1	1912613356	GFTVENFKQNMUQN-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCCC1CCC1	1919972509	CZOGHZVHEQWBAW-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)CC1CCCCC1	1924126001	PCXAPQPNYMXRAF-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
O[C@]1(C[C@@H]2C=CCCCC2)CCCC12CCCC2	1925905373	WFTYLCICBPDDKU-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C(=O)CCC(C)(C)CC)C(C)C	1936213173	XEEFUIJQOFAGTQ-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
CC[C@@H](C[C@@H](O)c1cscc1C)C(C)(C)C	1938843530	QEPIGMVIHKMZMX-WCQYABFASA-N	240.412	4.552	0	10	BJAE	
CCC(C)(C)C[C@@H](CCC[C@H]1CC1(C)C)NC	1940869621	NCEWHPOKXDRBJQ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@@H](C)CCC(C)C)[C@H](C)CC(C)C	1942658121	PAGKTDPLWNLCNU-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](CC)CNC[C@]1(C)C=CCCC1	1943137691	IXJNUZHJIPKVLA-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@H]1CCC[C@@H]1C)C(C)C	1944799122	JEPKOKLKYJJEAB-ZNMIVQPWSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](N)CC1CCCCCC1	1944845278	GQEUJOHJMCNADX-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@H]([C@@H](N)c1cccc2sccc12)C(C)(C)C	1945970089	KREFOGOWKDDSOQ-QMTHXVAHSA-N	247.407	4.583	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC(C)C)CC(C)(C)F	1947084479	QCDPVXWNDXMJBG-KBPBESRZSA-N	245.426	4.565	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC1(CC)CCCC1	1947459601	ISTYZUISQGXUOU-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1CCCCC12CCC2	1947881725	RQPYVBWXPRWKII-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(N)CCCCC12CCC2	1947896140	LONGTXGIHVIVHP-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)[C@@H](C)CC(C)C)c1	1948329368	ZJZURRIRUPXEGS-GJZGRUSLSA-N	233.399	4.786	0	10	BJAE	
CCC(C)(C)CC[C@]1(CO)CCC[C@@H](C)CC1	1950909912	BCEORFNEYRUIAP-ZBFHGGJFSA-N	240.431	4.782	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(CO)CCC[C@H](C)CC1	1950911502	OZGYRJCVGDPBMY-HOCLYGCPSA-N	240.431	4.638	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2C=CCCC2)CC1	1950930660	QNIMWCRDMHHCGK-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CCC=CC[C@@H](CC)c1ccc(OC)c(OC)c1	1951308419	GQBPCZLZIPDRAH-CYBMUJFWSA-N	248.366	4.554	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H](C)CCC1CC1	1968277274	PUBIDPFZRBZRIT-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2ccc(CCF)cc2)C1	1970094165	ZVFKEZHULCBIPK-OAHLLOKOSA-N	249.373	4.579	0	10	BJAE	
C[C@H](CN[C@@H]1CCCCC12CC2)C1CCCCC1	1972744676	OCJBAGSHOGGPNM-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@@H](C)CC(C)(C)C	1978639684	RWBNCSUGCMIQFE-DZGCQCFKSA-N	227.436	4.604	0	10	BJAE	
C[C@@H]1CCC[C@H]1n1ccc2cccc(Cl)c21	1982612747	QKOJFPFULPGBKT-ZWNOBZJWSA-N	233.742	4.656	0	10	BJAE	
C/C=C/CCCCC[C@@H](NCCC)C(C)C	1984633493	XJEKVASAMKPBEL-KEDPEKRHSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H](C)CCC	1984634018	CIUCNQGXJAWLPM-VZLFFANISA-N	225.420	4.537	0	10	BJAE	
c1cc(C2CC2)sc1CC1CC(=C2CC2)C1	1985534875	OFIHHIDYCOILTA-UHFFFAOYSA-N	230.376	4.668	0	10	BJAE	
CC(=O)[C@H](CCC(C(C)C)C(C)C)C(C)C	1988297756	PHVQGFYNRXNEOU-OAHLLOKOSA-N	226.404	4.556	0	10	BJAE	
CC(C)=C(F)CNc1ccc2sccc2c1	1989640247	GJGHPONHMWHCEV-UHFFFAOYSA-N	235.327	4.577	0	10	BJAE	
CC(C)CCCCCN(C)[C@H](C)CC(C)C	1990849456	QONRCURUDPMRCP-OAHLLOKOSA-N	227.436	4.569	0	10	BJAE	
CCC(CC)CCN(C)CC1(C)CCCCC1	1995887965	IHYZDZQVYXFQKB-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC[C@@H](C)C1)CC(C)C	1996262671	FYMZBCLMMWZSJV-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CC1CC(C)(C)C1)C1CCCCC1	1996546129	HAHHMRTWPBUWAQ-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](O)CC1CC(C(C)(C)C)C1	1998260605	NKSQGOFDVWIOCF-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@@H]1C=CCCC1	1998379597	GKSCRBSFYCIGIX-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CCCC1(C)CC1)CNC	2000504143	FCKDJSJQDYSZHZ-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@H]1C[C@@H]1CC	2000514836	OHJGETKJIRVPJC-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](CC)(CO)C1CC(C(C)(C)C)C1	2002311688	WUMCSZQUUZBWKQ-ZBCRRDGASA-N	240.431	4.638	0	10	BJAE	
CCCCCCC(=O)C[C@@H](C(F)F)C(C)(C)C	2002435675	QGHOLQLSVCVRFS-LBPRGKRZSA-N	248.357	4.843	0	10	BJAE	
CCCC[C@H](O)CC[C@@]1(C)CCCCC1(F)F	2002575080	ALJIHWPIHCBGMS-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
C[C@@H](NC1CCCCC1)[C@H]1CCCC(C)(C)C1	2003017343	IVXGYDWRELTXCZ-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CN[C@H]1CCCCCCC[C@@H]1CC1CCCC1	2003116401	INURSHPACMILLL-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@@H]1CCC2(CC2)C1	2003271857	AEOICJWCQUIQJK-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@@H](N)C1(C)CCCCCCC1)C1CC1	2004921953	BSUDXABPQFHNSF-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)C1(C)CCC(C)(C)CC1	2007698393	SQKBYAIVZGZDRN-BFHYXJOUSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H]1CCC(C)(C)CC[C@H]1NCCC	2009403758	GJUUXGSGQOZQHA-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@@H](C)CC(C)(C)C	2009547851	LSOXLRDZKYWALB-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](C)C[C@@H](NCCC)C1	2009615781	BWDLEJMKSXXDHL-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H](C)CCCC	2009629212	RKHRUMDTRGDRJL-RTWZZBQXSA-N	239.447	4.927	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CC1)C(CC)(CC)CC	2011186118	HPPIEVHZPMUYGV-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C(O)(C1CCCC1)C1CCCC1	2013227075	FCNSSDGLRQIXIT-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cc(F)cc(F)c1	2013264055	KNTMNUCZEUQYQA-CYBMUJFWSA-N	241.325	4.592	0	10	BJAE	
CC(C)C1(C[C@H](O)C(C)(C)C(C)(C)C)CCC1	2017121873	UMWRYIKZTYMFAA-ZDUSSCGKSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(C[C@](C)(N)CC(C)(C)C)CC1	2017728740	OPAJGRYHVTWLRZ-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(C[C@@H](CC(C)(C)C)NC)CC1	2017730178	FBJGASVGKZWOCY-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(=O)C[C@H](C[C@H]2CC[C@H](C)CC2)C1	2017774516	PMMQDVDLJOVHFH-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H](C)C2CCC2)CC1	2017775863	HUBPSPUOUKOWEI-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1C=CCCC1(C)C	2018130522	JLZISQVPMGLTIJ-CABCVRRESA-N	237.431	4.680	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1CCC[C@@H](CC)C1	2018130969	MDHSALOSDXHGDJ-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1CC12CCCC2	2018134073	KWIUVKFYHSERIS-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCCC1CCC(N)(CC2(CC)CC2)CC1	2018986872	FBBWTTGXXUBYJY-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](C)C1CCCC1	2019193043	VJORAEQGQOYLLA-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCCCCN(C)C[C@H]1CCC[C@@H]1C(C)C	2019285553	MKQAXRCLJDWDEL-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
CCCCCCN(C)[C@@H]1CCCCC12CCC2	2019290977	MOPKJVDBPQFNOU-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
Cc1ccc(N(C)CCCCCC(C)C)cc1	2019339802	GBUJUINLEPVKBS-UHFFFAOYSA-N	233.399	4.648	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CCCCC[C@H]1C	2019378650	YRESDGVFQFOZPM-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
C[C@@H](C[C@]1(O)CCCC(C)(C)CC1)C1CCC1	2019765895	FYTIYGWDCYSUML-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CCC1=CCCCC1	2019778753	OKNMPOYFRQYABV-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCCCN(C1CCC1)[C@H]1CCC[C@@H](CC)C1	2020635652	PDUMZRLLNRGFEC-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
O=C(c1cccs1)[C@H]1C[C@H]1C1CCCCCC1	2022416860	HLIQDMOAPSHWNX-STQMWFEESA-N	248.391	4.537	0	10	BJAE	
CCC[C@H]1C[C@@H]1COc1cccc2sccc12	2022544999	UFYQTOSLOMEFCR-NWDGAFQWSA-N	246.375	4.716	0	10	BJAE	
CCC[C@@H]1C[C@@H]1COc1cccc2sccc12	2022545001	UFYQTOSLOMEFCR-VXGBXAGGSA-N	246.375	4.716	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1C[C@@H]1C(C)(C)C	2022556221	DEYMTWSLZQGBMY-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CC[C@H]2C[C@H]12	2026073444	HOQXBINGCKIHQM-RZLSGREXSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1C[C@H]2CCC[C@H]1C2	2026244061	QHCRLOCSAJBMHJ-JONQDZQNSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)CC1=CCCC1	2027830385	IRXWZEWUIMNMKU-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc([C@@H](NC)[C@@H](CC)C(C)C)cc1	2028253469	XDMBCTFSFHPBKI-DLBZAZTESA-N	247.426	4.582	0	10	BJAE	
CCN[C@@H](c1ccccc1C1CC1)[C@@H](C)C(C)C	2028558868	ATRLBTJAVJMVBA-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(N)[C@H](C)CCC(C)C)c1	2029822683	FBXDDVYSDFGHHN-WBVHZDCISA-N	247.426	4.550	0	10	BJAE	
CC1(CCN[C@@H]2C[C@@H]3CCCC[C@@H]32)CCCCC1	2033211871	DMTDKGGKVRYWJE-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@H]3CCCC[C@@]3(C)C2)c1	2036668979	WEJFRMDBSSMQCT-OIISXLGYSA-N	243.394	4.766	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1cc(C)c(C)cc1C	2037080980	CUAGHUBZMZKBDZ-INIZCTEOSA-N	247.426	4.828	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)CC[C@@H]1CC1(C)C	2037274489	WXKBAALDHGQFKD-VBQJREDUSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@H](C(=O)CC2CC3(CCC3)C2)CC[C@H]1C	2037976712	NYFCUGHDVGPVJF-VNHYZAJKSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](N)(CC1CC2(CCC2)C1)[C@H]1CC1(C)C	2038079385	VBFXJORBQSUDQE-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCC1CCCCCC1)C12CCC(CC1)C2	2039860875	ZJFFXPUISIGCOO-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@@H](C)NCCC2=CCCCC2)CC1	2040636575	SINQQPFKDHLKKO-ISXOHVOVSA-N	249.442	4.681	0	10	BJAE	
CCCC(C)(C)[C@@H](O)Cc1ccc(C(C)C)cc1	2040723703	NHXZXBQYXKQKIU-INIZCTEOSA-N	248.410	4.540	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@]1(C)CC=CCC1	2042031962	XSWVUZGLOIGWOK-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC(C)(C)C1CC(C[C@H](N)[C@@]2(C)CC=CCC2)C1	2043004639	MPUOUKKCOMKXRL-NDTCATRNSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@H]2CCC=CCCC2)[C@@H](C)C1	2045309312	FQELKJGRRBMCCA-CAOSSQGBSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1CC[C@H](CN)[C@H](C[C@@H]2CCC=CCCC2)C1	2045330470	WOQNPKGHVIWZII-VQHPVUNQSA-N	249.442	4.524	0	10	BJAE	
CCN[C@H](c1ccccc1)C1(C)CCCCCC1	2045797583	SMYUHLRDDFCHGR-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1C(C)=CCC[C@H]1C	2045809357	ZWJARGFDRLTZSH-ZACQAIPSSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C1(CCC)CCC1	2045813188	NTLPIFRAXKAUTD-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC(C)NCC1(C[C@H]2CC23CCCCC3)CCC1	2047010988	VVFKHNVNDFLLRW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H]2CC23CCCC3)C1	2047061701	HVTYAMKSWWSBCN-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@H]1[C@H]2CCCCC[C@H]21	2048441867	RJUTVRXGJANKFN-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@H]1CCCC2(CC2)C1	2048868691	LXDQQQVFEOOCJC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C=Cc1ccc2c(ccn2CC2CCCCC2)c1	2049394864	QEHYSOXAZPYBKL-UHFFFAOYSA-N	239.362	4.865	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@@H]2CCC3(CC3)C2)C1	2049848923	MRWZKLFPTPLSDQ-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC[C@H]1CCCC2(CC2)C1)CC1CCCC1	2049857893	QHOUIWRCCHSIKK-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CN(C[C@H]1CCC2(CC2)C1)C1CCCCCCC1	2049937076	ADBIESUOTKSYDU-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
Cc1cccc(C(=O)CCCC2=CCCCC2)c1	2050459972	CIPBXFRMPIJDSZ-UHFFFAOYSA-N	242.362	4.848	0	10	BJAE	
O=C(CCCC1CCCCC1)c1ccc(F)cc1	2050493793	BGPHIRQFXRPLTI-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CC1(CCN[C@@H]2CCC[C@H]3CC[C@@H]32)CCCCC1	2052276877	LBDWIUIPPANPFZ-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(N[C@@H]2CCCCC23CC3)ccc1C	2053308783	SCPBCLMICGMPIR-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)[C@@H]2CCCCC23CCC3)C1	2053437596	XCWPDOVORIBHLD-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCC[C@H]1N(C)[C@H]1CCC2(CCCCC2)C1	2055252923	DVJCFYPEYQDBPV-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CC1=C[C@@H](N[C@H]2CCCC23CCCCC3)CCC1	2055549292	JLPQVOWGDVRVFZ-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC(C)=C1C)C1CCCC1	2055550154	RDOCVMDDRYYCSO-IRXDYDNUSA-N	249.442	4.824	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H]1CCC[C@@H](C)C1	2056880103	ZMKFJBZVLRJBLY-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1(CC[C@H](N)[C@@H]2C[C@H]3CCCCCC[C@@H]32)CC1	2059177437	JMDVZDZNPAUJMJ-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](N)c1ccc(C(C)(C)C)cc1	2059198086	KPICYANMHJKSMC-JFDDCEBESA-N	245.410	4.730	0	10	BJAE	
CCCCCC1CC(NC[C@@]2(C)C=CCCC2)C1	2059395736	PDCUHIOQGBGPAB-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H]1CCC[C@@H]1C(C)C	2061559066	ZVJWKTUJMJYAOO-IKGGRYGDSA-N	249.442	4.548	0	10	BJAE	
CC1(CNCC[C@]23CCC[C@@H]2C3)CCCCCC1	2061575965	YMDJMOLNJGIDES-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1CC(=C2CC2)C1	2061695858	ISKSVKHSAKXYBN-HNNXBMFYSA-N	248.410	4.908	0	10	BJAE	
C[C@]1(C(=O)CC2CC(=C3CCC3)C2)CC=CCC1	2061701160	HKEVMVUMZOTVAJ-KRWDZBQOSA-N	244.378	4.583	0	10	BJAE	
CC(C)(C)C1CC(N[C@@H]2CCCCCC23CC3)C1	2062020641	OROMDZPQZQYMSL-YMAMQOFZSA-N	249.442	4.514	0	10	BJAE	
CC1CC(NC2CCC3(CCCCCC3)CC2)C1	2065892455	MCIXPJUIBWWFPZ-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](NC1CC2(CCCCC2)C1)C1(C)CCCC1	2067511029	ZCHDXFFVDTWXII-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(NC2CC(CC(C)(C)C)C2)ccc1F	2067983704	XCMLHEMAFQPLQM-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CC(C)NC[C@@]1(C[C@H]2CC=CCC2)CCC1(C)C	2068232563	HBQJJUWDBBSNAH-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068712693	GUUBQSSTQSVAGG-WFLNUHJHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](NCC2(CC3CCC3)CC2)C1	2069581718	UNJXMFSVXZNCKW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1CC[C@H]1C1CC1	2071797500	HQKCZTIHDNECEJ-ZFWWWQNUSA-N	243.394	4.585	0	10	BJAE	
C[C@H](NC1(C(C)(C)C)CCC1)[C@]12CCCC[C@@H]1C2	2071881235	LNSHMUUQIBVRLH-SQWLQELKSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1(C(=O)CC[C@H]2C[C@H]2C2CC2)CCC1	2071925661	HELPFDVDQQUZDL-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H]2CC=CCC2)CC1	2072874727	FRKCHOLONWVSFJ-GPANFISMSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1N(C)CCC1=CCCCC1	2075149076	USFGBRZVCRKCHM-RDJZCZTQSA-N	249.442	4.778	0	10	BJAE	
O=C(CCC[C@H]1C[C@H]1C1CC1)CC1CCCCC1	2075818048	QKDOHWLANNQPJR-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1C[C@H]2CC[C@H](C1)C2	2077197147	POXWNRGNVRUHBX-ZQIUZPCESA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(Nc2ccccc2C2CCC2)C1	2077264874	CPPWHEQRQBYUOA-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2C[C@H]2C2CC2)CC1	2079312710	RHRYBPULAOVPFY-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)C1CC2(CCCCC2)C1	2079632746	JMAGACFMDZJAFB-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1CCC1)C[C@H]1C[C@H]1C1CCCCC1	2079832233	MJYDHYHBHHGFLG-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1C[C@H]1C1CCCC1	2079840566	CVNZCQRLYBXFPE-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C(=O)CC[C@H]2C[C@@H]2C(C)(C)C)c1	2079851751	MYMRYWFXAQWGRU-ZFWWWQNUSA-N	244.378	4.640	0	10	BJAE	
CCC1(C(=O)C[C@H]2C[C@H]2C2CCCCCC2)CC1	2079861017	FEKNHYGZEOFGLH-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC=C(C)C)C1=CC[C@@H](C(C)C)CC1	2081784779	GVKUXBXQRYIJNM-NVXWUHKLSA-N	249.442	4.703	0	10	BJAE	
CCc1cc(F)ccc1NC1CCC(CC)CC1	2081946326	GKVCBMZDUYPTNP-UHFFFAOYSA-N	249.373	4.769	0	10	BJAE	
CCc1cc(F)ccc1NC1CCC2(CC1)CC2	2081950197	YPLIJZJXKDYPHP-UHFFFAOYSA-N	247.357	4.523	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CC[C@@H]1CC(C)C	2081956103	VXBRNYWLXVHMQM-CZUORRHYSA-N	249.373	4.625	0	10	BJAE	
CC1(C)CC(=O)[C@H](C[C@@H]2C[C@H]2C2CCCCC2)C1	2082263737	GTQSXUSRARKGRE-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](CN[C@@H](C)CC)C(C)(C)C	2212576965	REDQWSSWUYTANR-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](C)(O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213276945	FRSOJMYXVMVQHW-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)CC1(C)CC1	2213576474	QCDZGUKJTBMNFX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@]1(CCCCC2CC2)CCCCCN1	2214586855	XQFUVAMUTKDWBM-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CC1=CC[C@](C)(C(=O)c2cccc(Cl)c2)CC1	2215823453	JIUGWPVCRRVQLC-HNNXBMFYSA-N	248.753	4.659	0	10	BJAE	
C[C@H]1C(C(=O)CCCCCCCC2CC2)[C@@H]1C	2216879332	IEJSLNQCPJPGFS-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218334817	SWMQRXQHQZRRPE-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CC1(CN[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCCC1	2218338667	YFHWYPSCSCEAAX-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCCCC1CC1)C[C@@H]1CC[C@H]2C[C@@H]12	2218733100	UBGFHGUCJGIUBH-ZOBUZTSGSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@H]1CCC12CCC2	2220024634	HTFJOLPDRNZYKN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@]2(C(C)(C)C)CCCN2)CC2(CCC2)C1	2221015527	WZVVEDVZKASVPU-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCCCN1CC1(C)CC2(CCC2)C1	2221069971	XPRFYCLZAIRPDB-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C[C@H]2CC=CCC2)C1	2222259242	KGMNGZXUFLMRNF-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
C=CC=CCC[C@H](O)c1ccc(C2CCC2)cc1	2223689968	SSANFGSYNHJLJN-KRWDZBQOSA-N	242.362	4.510	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H](C)c1ccc(C)cc1	2223968693	MIQZGGGBFZJFHG-RDJZCZTQSA-N	247.426	4.657	0	10	BJAE	
CCCCNc1cc(Cl)c(Cl)cc1C	2241456252	JRCZMZINRYXHID-UHFFFAOYSA-N	232.154	4.514	0	10	BJAE	
CCC[C@](C)(CCCC[C@@H]1C[C@H]1C)CNCC	2247162368	BQJWQLCFXJYFJA-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(-c2cc(C=O)cc(C(C)C)c2)cs1	2247236522	FOHRZYOXQKPRHL-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1CCC1(C)C)NCCC	2247414521	LUFOFEAGWHEFOJ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC[C@@H]1CCCC12CC2	2247618555	GCXRKVXLVLUHJT-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](CCCC[C@@H]1C[C@H]1C)NC	2250352804	OWJITWIGFLIMNY-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cccc2ccsc12	2250359316	RJYLVAIMZLAAKN-BXUZGUMPSA-N	248.391	4.761	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1CC2CCC1CC2	2250367886	AZZOYEXZTZZIDK-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@H](C)[C@@H]1N	2250482098	RMVAGAHOFOXZLA-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)[C@H]1CC[C@@H]1C	2250516325	HOTVKJDTDZXTEC-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@]12CCC[C@H]1CC2	2251140232	MQYTVBLSHWZEBQ-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
Cc1ccsc1C(=O)C[C@]12CCCC[C@H]1CC2	2251151635	YTSIZGWALMZCQC-SWLSCSKDSA-N	248.391	4.600	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(O)CC(C)(C)CCC1(C)C	2251679322	SBAKSIMKGOOYLX-BBRMVZONSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@H]1CCCCC12CC2	2254613279	ZQOZWOVZIVJCNW-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCCc1ccccc1OC[C@H]1CCC12CCC2	2255017801	MWPVEQOHOMUWDA-OAHLLOKOSA-N	244.378	4.598	0	10	BJAE	
C[C@@H]1CC[C@@](C)([C@H](N)CC2=CCCCC2)C1(C)C	2255051417	NCYHDUCWSIDDRW-UNEWFSDZSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCCC12CC2)C1(C)CCC1	2255280179	ACSVJVGDSNTBPZ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@@H]1CCCC12CC2)C1CCCCC1	2255290701	IVKDDPRLDYLDDF-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cccc(CC(C)C)c1	2259447153	KIMYDSUYBPNGCD-WBVHZDCISA-N	247.426	4.711	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)C1CCCCCC1)C2	2259573580	HNYVFEVVMHOSSL-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@@]23CCC[C@H]2CC3)CC1	2260599240	DMGXAKRFJRSOPS-VIQHNZTISA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](C[C@@H]1C[C@H]1C)NCC	2297868387	ZWOCJIUTJAEJAV-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCCC1CC1	2300456035	NSVHFMNYWSCKFX-UHFFFAOYSA-N	231.383	4.721	0	10	BJAE	
CCC(CC)CCC(=O)C1CC(CC2CC2)C1	2300689073	UJWKLBMXFVGTNO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CCC[C@@H](C)CC1	2300690830	MXYXRGKAGVZXEY-BMFZPTHFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CC=C(C)CC)NC	2300902592	WCSCEJJJOQWTOF-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CC=CC[C@@H](CCC1CCCCC1)NCCC	2300903420	DRRWTICYPUHLQO-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC=CC[C@@H]1CCC(C)(C)CC[C@H]1NCCC	2300903439	DVFGYJUTYJISGG-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1cc2ccccc2s1	2300908141	ZZMHADWUQUUYFE-CYBMUJFWSA-N	245.391	4.648	0	10	BJAE	
CC(=CC[C@@](C)(O)C1(C)CC1)CCCC(C)C	2300914389	QFMBCEHMSSDETC-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CCC1([C@H](O)CC2CCCCCC2)CCCC1	2301202685	WRGGWJJNSNUMOO-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)CCCCCC1CC1	2301698632	RJMQIGKDMLTODR-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](CNC(C)(C)C)C[C@@H]1CCC(C)(C)C1	2302709934	MGLBWIXFPLCSRV-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCc1cscc1NC[C@H]1C[C@@H]2CCC[C@@H]2C1	2302883128	RXURORBDSOCCGS-DEZZGGKRSA-N	249.423	4.549	0	10	BJAE	
CCc1cscc1NCC[C@@H]1CCCC12CC2	2302884826	JJLHHQRYDBKXTK-ZDUSSCGKSA-N	249.423	4.693	0	10	BJAE	
CCC(CC)CC(=O)CC[C@H]1CC[C@H]1C1CC1	2303115340	SHSLOSUQYDSTMR-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@](C)(N)CC(C)(C)C)CC1	2303521936	KBMIIOHARRFJCV-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)c2cscc2C)CC1	2303533321	WGDPYIXNLWMFNU-ZFWWWQNUSA-N	249.423	4.583	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CC[C@@H]2CCC(C)(C)C2)C1	2304400412	WBKXWALAORBQKX-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CN1CCC12CCCCCC2	2307749511	LFWMVDUYKADJRM-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCC[C@H](CC)CN(C)C1CCC(CC)CC1	2307760598	JELBVNFNUCMYMC-PCKAHOCUSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)[C@H]1CCC[C@@H](C)C1	2307845051	PETKPAPMWPVACR-UGUYLWEFSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC[C@@]12CCC[C@@H]1C2	2310382862	SGUNPYIRUQMRJW-QBPKDAKJSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C[C@@]23CCC[C@@H]2CC3)CC1	2313319773	CVXQFMUTURONEO-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(C[C@@]23CCC[C@@H]2CC3)C1	2313353652	RYMOJCXWJABODT-HZMVEIRTSA-N	249.442	4.502	0	10	BJAE	
C[C@H](CC1CCC1)N(C)C1CC2(CCCCC2)C1	2313612221	LFNZRQWCNKJLCM-CQSZACIVSA-N	249.442	4.610	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H](N)C1CC2(CCCCC2)C1	2313692306	MXTFNEHAVBAYKP-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)C/C=C/c1ccccc1	2315951270	DKDINCOCXIFAFI-UEICXMAYSA-N	245.410	4.634	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)[C@@H]1CC12CCC2	2316878322	MXZJDTIKKNRIKC-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CCCC2=CCCCC2)CC1	2318546453	SKJXYHAQHRHQNS-NVXWUHKLSA-N	249.442	4.955	0	10	BJAE	
CC1(C)CC=C[C@](O)(CCCC2=CCCCC2)C1	2318547142	ZEIMTFAUIKVZOK-QGZVFWFLSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@H]2CC23CCCCC3)C1	2319132139	WHSLRTFVJANKFT-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCC(C)(C)C(=O)Cc1ccccc1C1CC1	2319150778	YGYFFTXURBTZEI-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1N[C@@H]1CCCC12CCCC2	2320296128	KRCDLZBYVQAYCM-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)c2ccccc2C)CC1	2320337059	KBHMFLCIJJNXKO-NVXWUHKLSA-N	243.394	4.521	0	10	BJAE	
CCCNC[C@@]1(CC[C@@H]2C[C@H]2CC)CC=CCC1	2320385743	YJBGQIGLVUOAHP-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](N[C@H](CC1CC1)C1CC1)C1CCCC1	2320518010	ZDNXLFIFYJEIFD-DLBZAZTESA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1cccc(C2CCC2)c1	2320657742	XHJMSARIDSLQBP-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CCCCCCc1ccc([C@](C)(O)CCC)cc1	2327909240	AXSFEZMRWABRDY-QGZVFWFLSA-N	248.410	4.817	0	10	BJAE	
CCCc1ccc([C@@H](O)C[C@H](CC)CCC)cc1	2328196349	KYVPTEYUFBLAAU-PBHICJAKSA-N	248.410	4.889	0	10	BJAE	
CCCCCNc1cc(Cl)cc(Cl)c1	21507758	UMSPGONHPKPZQL-UHFFFAOYSA-N	232.154	4.596	0	10	BJAE	
CCC(CC)[C@@H](N[C@@H](C)CC)c1ccccc1	37107761	GQSNQUFTGYNSGH-XJKSGUPXSA-N	233.399	4.552	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(C(C)(C)C)cc1	37196534	QFDHPYSQVLQFSQ-ZDUSSCGKSA-N	233.399	4.975	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)CCc1ccccc1	69371126	WJAZFWSVGUNEQR-WBVHZDCISA-N	247.426	4.566	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CCCC[C@@H]1CC	70941703	WRFVIDBPYASBHJ-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCc1cccc(N[C@H]2CCC[C@H](CC)C2)c1	71105945	IRHZKTKGRXJNEM-HOCLYGCPSA-N	231.383	4.630	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCC[C@H]1CC	71161090	JYYZPQZUBUYJMT-GDBMZVCRSA-N	245.410	4.938	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccccc2C(C)(C)C)C1	80432664	ILMMKQQCIVPWDJ-OLZOCXBDSA-N	231.383	4.585	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)c1ccc(CCC)cc1	84400400	NOVXSGOASQPKEG-GJZGRUSLSA-N	247.426	4.521	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCC[C@H](C)[C@H]1C	85097255	VFXDFQJZRYTWSN-YNEHKIRRSA-N	249.423	4.645	0	10	BJAE	
Cc1ccc([C@H](O)C2CCCCCCC2)cc1C	86580991	GAMKGYGLIYAWFW-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CCCN[C@H](c1cscc1C)C(CC)CC	87288904	RVVMNQWSXPUUBF-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H](NCC1(CC(C)C)CCCC1)C(C)C	94873856	UQSMXHBEWRXMGH-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)c1ccc(C)cc1C	111647658	SDFWYVOCMUWMPM-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
CCCc1ccc([C@@H](O)C[C@@H](C)C(C)(C)C)cc1	111653843	DQXKNFFMJMDVDH-CJNGLKHVSA-N	248.410	4.745	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1)c1ccccc1F	122468827	DWEZIEVGOCULCT-INIZCTEOSA-N	243.325	4.697	0	10	BJAE	
CCN[C@@H](CCCC(CC)CC)c1ccccc1	149451233	YDGBRIIAYSNPHS-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
CC[C@H](C)CC[C@@H](CNC(C)C)c1ccccc1	155726873	XQJKGORPGKFSIB-RDJZCZTQSA-N	247.426	4.595	0	10	BJAE	
CCN[C@H](CCC(C)C)C1CCCCCCC1	159087556	WSMZALRNRAPBOY-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C(C)C)cc1-c1ccccc1	196557733	VTOJOFYGCKZHDO-UHFFFAOYSA-N	210.320	4.785	0	10	BJAE	
CCCC[C@H](CC)Nc1c(F)ccc(C)c1F	215023792	HYZCTPVLFATNKC-NSHDSACASA-N	241.325	4.654	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@]2(C)CCS2)cc1	221509033	KRQXGGPIPOZOKJ-BXUZGUMPSA-N	220.381	4.552	0	10	BJAE	
CC/C(=C/C1CCC(C)CC1)CNC(C)(C)C	227402302	UQOUPJNFLPTCTL-KAMYIIQDSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CCC([C@@H](O)C[C@@H](C)CC)CC1	229281043	DNNUYFFDNPLERE-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](O)c1cc2cc([C@@H](C)CC)ccc2o1	232359373	HWHUKXJIVBWTKH-FZMZJTMJSA-N	246.350	4.780	0	10	BJAE	
CCC(=O)c1ccc(SCC2CCCC2)cc1	232923618	CDOZUVUJCKUNNF-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC[C@H](CC)[C@H]1CNc2c(C)cccc21	232992630	MYJNSHWRDAWGSA-DZGCQCFKSA-N	231.383	4.721	0	10	BJAE	
CC[C@H](C)c1c[nH]c2c(Cl)cc(Cl)cc12	234024055	PWWYENVPOZWHPQ-ZETCQYMHSA-N	242.149	4.988	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	252899613	HUNQERHGMJOFHH-NPJQDHAYSA-N	240.431	4.636	0	10	BJAE	
CNc1ccc(-c2ccc(C(C)(F)F)cc2)cc1	259560671	SFHDJHPNLGGIDF-UHFFFAOYSA-N	247.288	4.507	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CCC1CCCC1	300729976	FISRHTPPWLVGPR-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCCCCCNc1ccc(C)c(CC)c1	300942249	YADJOTXCVRUJAY-UHFFFAOYSA-N	219.372	4.550	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)C1CCCCCCC1	302254728	ARWMZMJOYPGEQP-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCc1cc(N[C@@H]2CCCC(C)(C)C2)ccc1C	302292397	KXQLFWAICJCPFQ-MRXNPFEDSA-N	245.410	4.938	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)C1CCC(C)(C)CC1	305994040	UBNJTEIUMQLXMI-ZFWWWQNUSA-N	240.431	4.636	0	10	BJAE	
CC(C)CNC[C@@H](C[C@H](C)CC(C)C)C(C)C	309991844	CSAVRNQXZMTGIK-HZPDHXFCSA-N	241.463	4.577	0	10	BJAE	
CCCC[C@](CC)(CN)CCC1CCCCC1	310059919	KIFOFSOYJRXXJM-INIZCTEOSA-N	239.447	4.892	0	10	BJAE	
Clc1sccc1[C@H]1CCc2ccccc2N1	312548504	ADBRPPHWDPQQOA-GFCCVEGCSA-N	249.766	4.501	0	10	BJAE	
CC[C@@H](C)C1(CNC(C)C)CCC(C)(C)CC1	317914093	KYYYNVGESMPNGL-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)[C@@H](C)C(C)C	319077496	ZNVYBDZOQJTUJY-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NC)c1ccccc1CCC	384689206	WMNVGDVVVCMVTF-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
Cc1ccc([C@H](O)CC2CCC(C)CC2)c(C)c1	385200557	SQDKBLNNENIFLS-MWHAMWOXSA-N	246.394	4.553	0	10	BJAE	
CCCCC[C@H](C[C@H](C)c1ccccc1)NCC	385229795	UFGORBUOFVGAEI-DOTOQJQBSA-N	247.426	4.739	0	10	BJAE	
CCC(CC)C(=O)c1ccc2sccc2c1	386484193	XHIKUKINMBHFHP-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccsc2Cl)[C@H](C)C1	387186551	FOPAXHHFEOBKCT-OPRDCNLKSA-N	243.803	4.638	0	10	BJAE	
CC[C@](O)(C[C@H]1CCC[C@@H](C)C1)C1CCCC1	387506109	DMLIPOSLQUTMAG-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C)c(C)c1	388591487	LTCHLIDITSOEGU-UXLLHSPISA-N	245.410	4.533	0	10	BJAE	
CCC[C@](O)(C1C[C@@H](C)C[C@H](C)C1)C(C)(C)C	395413089	IUDXTKOGHVWLIN-XEZPLFJOSA-N	240.431	4.636	0	10	BJAE	
CCc1cc2cc(SC)c(CC)cc2s1	396168260	HDGDHGXQAIUSTG-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1ccc2scc(C(F)F)c2c1C	396234031	FNZYWGJGJGVWGP-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CCC1)CC(C)(C)C	398611950	APHGGDZCFRSLKN-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H](C)C(C)(C)C	399035124	MQOZDUPJZDBWMD-MELADBBJSA-N	227.436	4.602	0	10	BJAE	
CCN[C@@H](c1cccc(CC)c1)[C@@H](C)C(C)(C)C	399128203	RRCLMOQAXVYGBY-CZUORRHYSA-N	247.426	4.582	0	10	BJAE	
CCN[C@@H](c1cccc(CC)c1)[C@H](C)C(C)(C)C	399128204	RRCLMOQAXVYGBY-XJKSGUPXSA-N	247.426	4.582	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC(C1CC1)C1CC1	401011257	OKIYQWVKKSQYSF-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(CCC2=CCCC2)c(Cl)c1	401081260	AFKJCDPTAKSJQR-UHFFFAOYSA-N	220.743	4.691	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C1CCCCCC1	401382529	HVGUSHWZARWFNR-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(O)c(C)c(-c2ccc(Cl)cc2C)c1	686552400	ICRKKRUSDFCCFR-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CCC[C@@H](Nc1ccc(C2CC2)cc1)C1CC1	690079754	RWRRIHIBUZASEM-MRXNPFEDSA-N	229.367	4.555	0	10	BJAE	
CCc1cc(NC2[C@H](C)CCC[C@H]2C)ccc1F	690102777	QJGIYXSCNZTYIU-VXGBXAGGSA-N	249.373	4.625	0	10	BJAE	
CCCN[C@H](C(C)C)[C@@H]1CCCCC[C@H]1CC	691097862	CIGUHODVVMQBRD-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
Fc1ccc(CC2CCCCC2)cc1Cl	694974473	RPFCLPQNRHJNFJ-UHFFFAOYSA-N	226.722	4.602	0	10	BJAE	
CCCC1(CN[C@H]2CCCC[C@@H]2C2CC2)CCC1	696065233	VQWIDBGWFOUTID-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc([C@@H](CC(C)(C)CC)NC)cc1	696158243	LAEZXGMILCVERC-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCC(C)(C)C[C@@H](N)Cc1ccc(C(C)C)cc1	696175088	ADYNDFVKLXSPPC-INIZCTEOSA-N	247.426	4.506	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C1=CCCCCC1	696204297	AGIACLBHXDGQRW-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H]1C[C@H]1C(C)(C)C	699831386	IDCREYMVKUZSHP-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(CC)c([C@H](O)[C@@H](C)CC(C)C)c1	704742262	ROTMXDCSHCKBFP-SUMWQHHRSA-N	248.410	4.527	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC2CCC1CC2	704973989	TXWZRZCLMQQHIP-GPANFISMSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](c1cccc(CC)c1)[C@@H](C)CC(C)C	708311522	DZAKIAHAAVJNSP-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@H](C)CC(C)C	708312544	IJQMJEBKUIFIPJ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](N)C(C)(C)C1CCC1)CC(C)(C)C	709203624	UBBIKJGYRUOXRM-TZMCWYRMSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H](C)CC(C)(C)C)C1	709259320	HOYISMLOKCWMOD-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@H](C)C1CCCCC1	710027954	ZAMJJEOXSGHEDA-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C12CCC(CC1)C2	710935704	FPQJDMQKUJETES-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CN[C@@H]2C[C@@H]3CCCC[C@@H]32)CCC1	712377135	KKGDNKWVYHBECP-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1(CO)CCC(C(C)(C)C)CC1	713231291	WHRAVCKOTCNEHY-UHFFFAOYSA-N	240.431	4.638	0	10	BJAE	
C=C/C=C\CC[C@]1(CNC(C)(C)C)CC[C@@H](C)C1	713737751	KMAXZPOVODLRLT-NLMGXMIUSA-N	249.442	4.703	0	10	BJAE	
O=C(CC1=CCCC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714501093	MVJLZVWKXLIEOB-OWCLPIDISA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1NCCC1=CCCCC1	717486995	HDNIQNBQPHJVIQ-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(C(CC)CC)CCC=CCCC1	719088168	AJAYVVVOBZGPKN-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H]1CCCCCC1(C)C	719289953	VXZSAMGGZPDJDE-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC2(CC2)C1)C1CCCCC1	723559149	FFWIRMMAEFGGEH-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(S[C@@H](C)CC(C)C)s1	1166352788	GTTDETRLZUVHKC-JTQLQIEISA-N	214.399	4.583	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCC1CCC=CCC1	1621535545	XVUBQXDGFHYRSC-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCc1ccc(CSCC(C)C)cc1	1643402152	DFHSAFGKFVAXQF-UHFFFAOYSA-N	222.397	4.528	0	10	BJAE	
CCC[C@H](NC1CC2(CCCC2)C1)C(C)(C)C	1652489416	AZBCAEPAFGQFGC-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CCCNCCC=C(C)[C@H]1CCCC[C@H]1CC	1880414582	ODALLTKJLNHZTQ-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC=CC[C@H](CC[C@@H](C)CCCC)NCC	1900848413	KFWYBILETPICEC-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCC(C)=CCc1cc(F)cc(C(F)F)c1	1900903462	OFWKPTJJPHTIND-UHFFFAOYSA-N	228.257	4.662	0	10	BJAE	
CC(=CC[C@@H](C)C[C@H](C)O)CCCC(C)C	1900911874	PHJHDPKNZQXYBM-CABCVRRESA-N	226.404	4.556	0	10	BJAE	
Clc1cccc(Cl)c1C[C@@H]1C=CCC1	1905144303	WGHQOSHGTYYURT-SECBINFHSA-N	227.134	4.502	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1csc(C)c1C	1905432546	QZSAWIFRDXUSRG-OCCSQVGLSA-N	239.428	4.581	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C1CCCCCCC1	1908546238	BKNZUFZKLLLZFV-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@]12CCCC[C@@H]1C2	1909921304	RMJMJBYMPIZKMC-CJNGLKHVSA-N	236.399	4.742	0	10	BJAE	
C=CC=CCC[C@]1(CNCCC)CCC[C@H](C)C1	1912030815	AKGAMMYCTHDKJK-IRXDYDNUSA-N	249.442	4.705	0	10	BJAE	
CCC(CC)C[C@@]1(CNC(C)(C)C)C=CCC1	1916386833	SIRBBSCBSCZELK-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H](C)c1ccccc1	1919493129	OEMFTNOEUDWDQL-ZBFHGGJFSA-N	234.383	4.512	0	10	BJAE	
CCCC[C@](N)(CC)c1ccc2ccccc2c1	1920139985	URQYHKAKQFYACF-QGZVFWFLSA-N	241.378	4.594	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC1(C)CCCCC1	1920189950	RSBFPEFEZBFCDK-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@@](C)(N)C12CC3CC(CC(C3)C1)C2	1920489972	OODHNXFBMXZJLV-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CCCNCC1([C@@H](C)CCC)CC(CCC)C1	1921291171	BHVQKGSFQVNMJJ-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCCc1ccccc1C(=O)C1CC(C(C)C)C1	1921308178	HZYHIFUHJSINLL-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@H](C)C1CCCCC1	1924074304	CWALIUQAQWRUNM-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@H](N)C[C@@H]2C=CCCCC2)CC1	1925946531	UMYFVDKQQQIAKF-MNAZLIDISA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](C)C1(N)CCCCCCCCC1	1938723095	VHWBVFIYXRXQCO-AWEZNQCLSA-N	225.420	4.645	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@H](C)CC(C)(C)C	1940789850	GXHPTFWZBNNALR-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)[C@@H]1CCC[C@H](CC)C1	1941251683	MDBXMFCVXSEYAG-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C(=O)c1ccc(C)c(C)c1)C(C)C	1941264646	NBPNDYRQXMIRBH-OAHLLOKOSA-N	232.367	4.558	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CCCC1CC1)NCC	1941268303	DDBJHTJFPGDEGL-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)[C@@H](C)CC	1941819127	SAKKBBWGCVBAJY-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C[C@H]1CC1(C)C	1944740430	BXEYGTQHVQGZKC-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)CNC[C@H]1CCC[C@H]1C	1944845341	HHESXJKFSVAEHY-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@@H]1CCC1(C)C	1945746018	CVMZFZSKUBDBHD-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CC[C@@H]2CCCC[C@H]21	1946367649	RMEIGSQZCPKLRE-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@H]3CC[C@H]2C3)c(Cl)c1	1947124140	QAAYKLWLRIFSKY-DYEKYZERSA-N	249.785	4.639	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(O)CC1(C)CCCCC1	1947521792	DXWCANHUCPQUGS-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc2oc(C[C@@H]3C=CCCC3)cc2c1	1947552714	QZFSNKPPZFHSTD-CYBMUJFWSA-N	226.319	4.640	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CCC2)c1cccs1	1947878762	LLWVPFKBYADIEO-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CCC(C)(C)C1CC1	1949032811	VSGRBBLROIVPKX-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)C1(C)CCCCCC1	1949061126	WFGSTHKGSXVQFT-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H]1c2ccccc2NC[C@@H]1C	1949091149	HWRWROBELXISID-QCQGSNGOSA-N	231.383	4.514	0	10	BJAE	
Cc1csc(C(=O)[C@H]2CCC3(CCCC3)C2)c1	1949492578	FGXWYGICZQGJNA-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCCCC1CCC(N)([C@@H]2CC[C@H](C)C2)CC1	1949550427	CYAHAEYIWNWVPB-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
Cc1cc([C@H](C)N[C@H]2C=CCCCC2)c(C)s1	1950618395	HXEDBEVTTSSOFI-JSGCOSHPSA-N	249.423	4.514	0	10	BJAE	
CCC(CC)(CC)C(=O)CCCC(C)C	1959914385	JXHQFKLNOSNGSX-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cscc1Cl	1959921312	UHZHBKJQJBUCAK-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
CCCc1ccccc1OC[C@@H]1CCC(C)(C)C1	1968625023	WSZDHRAETPNDTQ-CQSZACIVSA-N	246.394	4.844	0	10	BJAE	
CC1(C)CC(C)(CN[C@H]2CCCC23CCCC3)C1	1973670806	QORPBIGGSCSWFG-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cc(C)cc(Cl)c1	1976010753	NMLKAPWNMIYHJK-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@H]1CCC=CCCC1	1978271676	DQZVMUQBNQBTIW-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCCCCC[C@@H]1N	1980350054	CROPFKUUBWFPGN-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C(C)(C)C)CC1	1989838217	CANWWQDCYQHOAW-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCC(=O)C[C@H](C)C1CCCCC1	1993586795	GAIVXRCTDGJVIT-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
C/C=C/CCCc1cccc(C(C)(C)C)c1	1994228463	PEBMWHBUOYJZER-AATRIKPKSA-N	216.368	4.883	0	10	BJAE	
CN(CCCCCC1CC1)C1(C)CCCCC1	1995782403	HYCADTDVEUCOSE-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)CC2CCCC2)CC1	1996595754	YIIUGRRVDUIZGU-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@@H]1CCC[C@H](CC)CC1	1997116438	KRQISUXAOFPENI-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](N)CC1CC(C(C)(C)C)C1	1998240108	MEBUKKWHNVESMF-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)c1ccsc1	1999992027	TVTDLICYHFPMLS-UKRRQHHQSA-N	249.423	4.535	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)[C@H]1CCCC(C)(C)C1	2000023427	HKZIWMHUZVPLRO-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)(CCC=C(C)C)CNC(C)(C)C	2000498843	DQZARKKALFSXCK-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@@H]1CC12CCCCC2	2001254541	JYIAXVNAYKHBAO-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC=C[C@@H](C)N[C@H](C)C1CCC(CCC)CC1	2002923478	GKFPFKQZLGLQHY-WXLSXGNJSA-N	237.431	4.536	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C)[C@H]1CCC[C@H](C)C1	2003027087	KNTSHQJFZYZBLS-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC[C@H]1CCCCCCCC1=O)C(F)F	2003071554	ZXKGMGKIFMIPSQ-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
O=C(CC[C@H]1CC2CCC1CC2)c1cccs1	2003680514	MWLYECFEISVTPP-BPCQOVAHSA-N	248.391	4.537	0	10	BJAE	
CCCN[C@@H](CC)C1CCC(CC)(CC)CC1	2004337420	RAHGUYZDGCYZBB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)C1(C)CCCCCCC1	2004922815	KVHGVRWLHIISMF-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C1(C)CCCCCCC1	2004937626	RNKKLHVZJCTJSH-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC[C@]1(CO)CCCC1(C)C	2005578809	DFISGEVKBCMALL-MRXNPFEDSA-N	240.431	4.782	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@H](C[C@H](C)CC(C)(C)C)C1	2006629974	VAQBBKYRZYDNDK-XQLPTFJDSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1(C)CCC(C)CC1	2007694224	GYUOUXYYESCLLT-NPCAHTBFSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CC(CC)CC)CC1CC(CC)C1	2007754398	NZFUACIEGZHABI-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
c1cc(NC2CC(C3CC3)C2)c2sccc2c1	2007777941	XZURSDSGJHZVAF-UHFFFAOYSA-N	243.375	4.502	0	10	BJAE	
C1=C[C@@H](Cc2ccc3sncc3c2)CCCC1	2008038762	WGHFYVYWVDZCNU-GFCCVEGCSA-N	243.375	4.585	0	10	BJAE	
C[C@@H]1CCCCCCN1[C@H]1CCCC(C)(C)C1	2008103788	LHGPWYWCULHKIK-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CC1(C)CC[C@H](O)[C@H](CC2CCCCC2)CC1	2009408592	VFVZWZGEHHJYLX-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCCC(=O)[C@]12CCCC[C@@H]1CCC2	2009567088	MEQATSJVXMPKNN-PWFUPBTHSA-N	234.383	4.662	0	10	BJAE	
C/C=C/CCC[C@H](O)[C@H]1CCCC(C)(C)CC1	2009594251	QXGNQTPNLNIRET-WFVIONGDSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCCC(CC)(CC)CNC(C)(C)C	2009630318	VRNFCNLETWZXHR-JXMROGBWSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CC2(C1)CC2(C)C	2012192734	SOSWVKSDZRJHID-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CCCC12CCC(CC1)CC2)NC	2012835751	FIYYFSCFKNVNEV-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C(N)(C1CCCC1)C1CCCC1	2013223339	CKWXLTWPLRXMNR-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CC[C@H]1CC(C)C	2013271024	NUVMGWWLJLGJOV-XHSDSOJGSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1C[C@H](C(C)(C)C)C1	2013711196	QGNZOKFKBYOVQX-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@]1(C)C[C@@H]1C	2016410099	HBPUIDGAOWFZMI-XJKSGUPXSA-N	232.367	4.543	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1(C(C)(C)C)CCC1	2017133636	VDUOWXUSPHYEIE-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC(O)(CC)CC)CC1	2017713032	VCCQOWBLMMHGNQ-SHTZXODSSA-N	240.431	4.924	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CCC2(C)C)CC1	2017723916	WDQZBHQUORLYKC-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)CCC(C)(C)C)CC1	2017729198	UFZKVKDKLZKNFL-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)CC1=CCCCC1	2017735777	HLMGBGRKWSFQBH-KBPBESRZSA-N	237.431	4.680	0	10	BJAE	
CCCC1CCC(C[C@H]2CC[C@H](C)C2=O)CC1	2017772105	NQCCDWZLRGNPGT-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)NCC1(CC)CCCC1	2018139392	RJVNCEOQZHREDY-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCC1(C[C@@H](O)C2(C)CCCCCCC2)CC1	2018968163	RLSQHQNKIPJWMK-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCCC1CCC(CN)(CC2(CC)CC2)CC1	2019001115	CXIUNYIYRWXQEZ-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1C[C@H]1C(C)(C)C	2022559013	AZTFXGYTVQPTQN-FMKPAKJESA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCC)[C@@H]1CC1(C)C	2026163141	INMXSALIBJBBJW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1[C@H](O)CCCC1(C)CC1	2027901141	HQSSFNPWJFVUNG-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CCC[C@@](N)(c1ccccc1)[C@@H](C)CCC(C)C	2029825562	QNWQZFGFJXKYLL-RDJZCZTQSA-N	247.426	4.713	0	10	BJAE	
CCCC1CCC(N)(CC(C2CC2)C2CC2)CC1	2032155409	XHNYGJJFHVWTIU-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C[C@@H]1CC1(C)C	2032431989	YUJRSWALRKCQDX-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@H]1C)c1ccccc1	2032515923	VUVSXEMDPRRPTM-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CC(C)=C(C)CCCc1cc2ccccc2cn1	2033944680	INBFCRNSDSYLCM-UHFFFAOYSA-N	239.362	4.914	0	10	BJAE	
CC(C)(C1CCCC1)[C@H]1NCC12CCCCCC2	2034046456	JSDMVSHDTUKUFA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc2c(c1)CCC2	2035419789	DBBRSUVZJFBDTL-RHSMWYFYSA-N	243.394	4.556	0	10	BJAE	
CCC[C@@](N)(CCC1=CCCCC1)[C@H]1CC1(C)C	2037168244	FTMVXVAKCWSMLJ-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC(C)CCC[C@H](N)c1ccccc1C1(C)CC1	2037208444	YLGZOYMJAQYDSS-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C[C@@H]1C=CCCCC1	2037273915	DPBOHTYHFYTPEX-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)[C@@H]1CCC2(CCCC2)C1	2037595178	VBPZBLMHSRQDSQ-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C1CCC1)N(C)[C@H]1CCC2(CCCC2)C1	2037681483	GJHKCFVDKCMDPW-JKSUJKDBSA-N	249.442	4.610	0	10	BJAE	
CC(C)[C@H]1CCCCN1[C@@H]1CCC2(CCCC2)C1	2037683823	VQKPPLHMTBIBMA-HZPDHXFCSA-N	249.442	4.610	0	10	BJAE	
CCCc1ccccc1[C@@H]1CCC(C)(C)C(=O)C1	2037878037	ZAMNWZBSRIMWEY-CQSZACIVSA-N	244.378	4.502	0	10	BJAE	
CCN[C@H](CCC1CCC1)CC1CC2(CCC2)C1	2037972800	QNIMTGZAPYGXDH-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c([C@H](N)[C@H]2CCC[C@H](C)CC2)c1	2039364088	VAZATFLLJKGUGM-YLQAJVPDSA-N	245.410	4.520	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(N)CC2(CC(C)(C)C2)C1	2039463103	BLCZHRHNAARNOZ-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](NC)c1cccc(C2CC2)c1	2040724533	WMOCYFXHZJDZLH-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC(C)=CCC[C@]1(N)CCCC2(CCCCC2)C1	2040766008	YDQMBRRRINKVPP-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
N[C@]1(CCC2=CCCCC2)CCCC2(CCC2)C1	2041289861	LUMCJMZLFLGKJR-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC(=CC1CC(C(C)(C)C)C1)c1cccc(N)c1	2042999960	ITYZMTGYZMYUKR-UHFFFAOYSA-N	243.394	4.744	0	10	BJAE	
C1CCCC(CN[C@H]2CCC3(CCC3)C2)CCC1	2043609360	PRDWZQABPWSAFZ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
NC1(CCCC2CC2)CCC2(CCCCC2)CC1	2045672943	ZNRGZQSEELPNQK-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCC1)C1(C)CCCCCC1	2045795951	CWKNWGADDKGGIV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048366808	UBRGHZBYGMZPRN-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC([C@H]2C[C@@H](C)Nc3ccccc32)C1	2048634859	SZHQCSZXDXONRP-UWLZSVRSSA-N	243.394	4.657	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2CCC3(CC2)CC3)CC1	2049851572	AGASKBOFCXZCSO-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@H]1CCCC2(CC2)C1	2049855902	MZZCOMFAVPRSAL-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1C[C@H](CC)C[C@@H](C[C@H]2CC=CCC2)C1	2055040507	WHLJHYKJKZJHMD-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](c1ccco1)C1(C)CCC(C)(C)CC1	2056558099	BMDMZEZUZTZZLU-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1ccc(C)c(F)c1	2059224671	DINVEPOIFBBTMM-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2CC[C@@H]3C[C@H]3C2)C1	2059497862	SAYMBFPOIRUPNF-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)C1(CC)CCCC1	2060921735	NFWITAGWFSWYEA-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C1=CCC(C)(C)CC1	2061114193	WHIAFNOKABXALJ-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
C[C@](O)(CC1CCCC1)CC1CC(=C2CCC2)C1	2061685459	REPYVBCLIGIMOP-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCO[C@H]1C[C@H](CC2CC(=C3CCC3)C2)C1(C)C	2061728535	LJDGQOFTRPNMGU-HOTGVXAUSA-N	248.410	4.718	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CCCCCC12CC2	2062015912	BZGCDJHHBGFXON-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
C/C=C/CCCN[C@H]1CC[C@@H](C)c2ccccc21	2062371791	JJEMTQQIRNKINL-FHPLJQIUSA-N	243.394	4.571	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063480161	JEGCOVCQBJYCCP-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C[C@@]2(N)C=CCC(C)(C)C2)C[C@H](C)C1	2063650285	SJRCJDGBIZKVSU-CPUCHLNUSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC[C@H](N)[C@H](CC23CCC(CC2)CC3)CC1	2065333798	WUQQUFISAMJQCZ-LQWAEYHHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)CC12CCC(CC1)C2	2065340488	WQJBSQDHSQPKDP-LYSZQXJVSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@](C)(O)C2(C)CCCC2)cc1	2067505824	SCTNJBQLIQBROL-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CN[C@H](CCCCCC1CC1)C1(CC2CC2)CC1	2069510755	GBKUUSJGFXDQSN-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C[C@@]12CCC[C@@H]1C2	2070972075	QRGQTJYQYISILW-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)CC[C@@H]2C2CCC2)CCC1	2071941415	TWBUCIUOKYMKCK-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@H](N)CC[C@H]1CC[C@H](C)CC1	2072801600	PJLQNQXZAASFPB-FRFSOERESA-N	245.410	4.601	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](C)CC1)[C@@H]1C=CCCC1	2072807339	VBDRAZUOAGXQRT-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H]2CC3CC2C3)CC1	2072876566	BMHXBGAKOHEATB-SXDHFHGXSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CCC(=O)c2ccccc2)CC1	2072880961	CDVKRXCDLSFAHP-SHTZXODSSA-N	244.378	4.866	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H]1C[C@H]2C=C[C@H]1CC2	2073348225	WISWULOGDLDEAY-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@]23CCCC[C@H]2C3)C1	2074092462	XPJNYWSRGMZTPE-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@]2(CNC(C)C)CCC23CCC3)CC1	2074624788	UZOJJZCYFKQRDJ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1ccc(C2CCC2)cc1	2079643214	WOLLZCQMHRGXPL-CVEARBPZSA-N	243.394	4.802	0	10	BJAE	
CCC1(C[C@@H](N)[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079782893	YGLOLBYFRAKMCM-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@H](N)[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079782895	YGLOLBYFRAKMCM-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(OC[C@H]2C[C@@H]2C2CCCCC2)cc1	2079803042	LZPDEVSKOXUXQQ-NVXWUHKLSA-N	244.378	4.590	0	10	BJAE	
CCc1ccc(-c2cc(Cl)cs2)cc1	2080277555	YVDCSUMLALYRIC-UHFFFAOYSA-N	222.740	4.631	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1cccc(C(C)(C)C)c1	2083545172	HDVCMTAMLHWEAW-IUODEOHRSA-N	244.378	4.603	0	10	BJAE	
CC1(CCC[C@H]2CCCNC23CCCCC3)CC1	2083816203	QMQGIJQWKBMBGQ-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)CC2(F)CCC2)cc1	2084693504	RXNCUQWDIRATKN-GFCCVEGCSA-N	248.341	4.665	0	10	BJAE	
CC(C)=C(C)CCc1cc(C)sc1C	2209868196	JPOWLFLGGSAOQP-UHFFFAOYSA-N	208.370	4.654	0	10	BJAE	
CCc1cc(CC=Cc2ccccc2)cs1	2210661917	HEVJEXRBSPWCLE-UHFFFAOYSA-N	228.360	4.566	0	10	BJAE	
CCCCCC[C@@H](CCCCC1CC1)NC	2211125610	LFDALWUNEBFCKJ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](N)CCCCCCC1CC1	2213581853	BCTFYLRVHNPUJU-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C(=O)CCCCCCC1CC1)C(C)C	2213583414	RPVXZVAHVLBDNK-HNNXBMFYSA-N	238.415	4.988	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)c1sc(C)cc1C	2213607265	RHYCAQPEFACBDE-GWCFXTLKSA-N	248.391	4.540	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@](N)(CC)C1CCCCC1	2215253370	OGWCSOGLMCPGHB-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC1(N)CCCCCCCC1	2215253565	RHFSXTWTCIVMFT-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC[C@H]1C[C@@H]1C)NCC	2215300901	MGZXOQCXRRBXFP-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N(CC[C@@H]1C[C@H]1CC)CC(C)C	2215360163	ABXBRBILKPUCSP-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@](CC)(CCCF)CN[C@@H](C)CC	2217123895	CFCYFIVCEIRJJI-GJZGRUSLSA-N	245.426	4.711	0	10	BJAE	
CC[C@](O)(C/C=C/c1ccccc1)CCC(C)C	2219064396	AAGLOWSVGVNELP-YRYLYKBFSA-N	246.394	4.667	0	10	BJAE	
CCc1ccccc1CCC=Cc1ccccc1	2219075356	BJVXCFAJTXCIIQ-UHFFFAOYSA-N	236.358	4.895	0	10	BJAE	
CC[C@H]1C[C@H]1CCC1(CNC(C)(C)C)CC=CC1	2220850906	JEWPVLRWXNNKOV-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@](C)(O)c1c(C)cc(C)cc1C	2221997921	DHDGQKSMJYAFPV-KRWDZBQOSA-N	246.394	4.566	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)[C@@H](C)C1CCCCC1	2222007457	ULUUNEOVPVIBOH-YOEHRIQHSA-N	246.394	4.553	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H](C(C)(C)C)C1)c1ccco1	2222254934	DLPHPRXXZJQVLR-BFHYXJOUSA-N	249.398	4.535	0	10	BJAE	
C[C@]12CC[C@](N)(CCCCCCCC3CC3)[C@H]1C2	2223158973	LXEKTZKFCZBEGI-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)NC[C@H](CC(C)C)c1cccc(C)c1	2223590564	YAXHUPDQXVXTSU-WBVHZDCISA-N	247.426	4.513	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1cccc2ccoc12	2224153988	UFOBOZKBAAVFCI-OAHLLOKOSA-N	243.350	4.569	0	10	BJAE	
C[C@@H](CCC1=CCCCC1)CC(F)F	2241445273	XLWZTAZYKWTUJU-JTQLQIEISA-N	202.288	4.558	0	10	BJAE	
C/C=C/CCCc1c(C)sc(C)c1C	2241538141	VPBHIMYZYTWWTE-AATRIKPKSA-N	208.370	4.572	0	10	BJAE	
CCC(CC)[C@@H](N)CC[C@@H]1CCCCC12CC2	2246630196	MHBSQENKIXTION-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC)CCCC[C@H]1CCC[C@@H](C)C1	2246726630	KSRWQUGPEDTPEI-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](N)(CC)CC[C@H]1CCC[C@@H](C)C1	2246733823	RZTPYAHSZFPATJ-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
Cc1cccc(C)c1NCCCC[C@@H]1C[C@@H]1C	2247099891	WGYQWZMQEHLLTD-LSDHHAIUSA-N	231.383	4.542	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CCCC[C@@H]1C[C@H]1C	2247167020	WAJFYIPPNCZGLO-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](NCC)c1cc(C)c2sccc2c1	2248578570	NMLLRCVHHWCEBW-AWEZNQCLSA-N	247.407	4.660	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1C(=O)CCC[C@H]1C	2248876243	BHGMUUIZDHIOSJ-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC[C@]1(C)CCN1CC[C@H](C)CCCC(C)C	2250466582	GKZLZMHZWRKOSE-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CC1CC(CC[C@@H](O)CCC2CCCCC2)C1	2251765977	XHUFSBFGGRFANI-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@@H](O)c2ccc3ccsc3c2)CC1	2253061410	NWXZUZAEBBXVFH-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CC1(CCC(=O)CC[C@@H]2CCCCC23CC3)CC1	2253837780	HEWWKHJFMOXBOW-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)[C@@H]1CCCC2(CC2)C1	2254611948	SZCYYRTXOJAUME-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
OC1(CC2=CCCCC2)C[C@H]2CCCCC[C@@H]2C1	2255064762	RSLGJZJNEMIBCO-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@H](CNC)[C@H](CC2=CCCCC2)C1	2255094562	AYXKHWPCHUBMPX-PVAVHDDUSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](CN)[C@@H](CC2=CCCCC2)C1	2255096882	NHEDFVCVIPBGMO-IKGGRYGDSA-N	249.442	4.524	0	10	BJAE	
CCCc1ccc(CN(C)[C@H](C)CC(C)C)cc1	2256314313	SCLCLWUSYLADHJ-OAHLLOKOSA-N	247.426	4.506	0	10	BJAE	
Cc1coc(C)c1[C@H](N)CCCCC[C@@H]1C[C@@H]1C	2257244712	DLFPQDHXEIOVJI-NILFDRSVSA-N	249.398	4.503	0	10	BJAE	
CCc1ccc(OCCCCC[C@H]2C[C@@H]2C)cc1	2257248954	VBBXTKOICBFLCY-HOCLYGCPSA-N	246.394	4.844	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC1(CNC2CC2)CCC1	2257292061	NBWTTWZOVNGGBF-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(NCCCCC[C@H]2C[C@@H]2C)c1	2257299918	PCZHFNCDMLLLAY-HOTGVXAUSA-N	245.410	4.932	0	10	BJAE	
CC1CC2(C1)CC(C[C@@]1(N)CCC[C@H](C)CC1)C2	2259576731	OVJCLOWZTLKQND-APFABTSLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@@]12CCC[C@@H]1CC2	2260501317	PEEGMFJKDAGISX-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](N)[C@]23CCCC[C@@H]2CC3)CC1	2260528987	XSKQGYJOWBNGQP-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NC[C@@]23CCCC[C@H]2CC3)cc1C	2260620855	LDRRAIUJVUTJQC-RDJZCZTQSA-N	243.394	4.686	0	10	BJAE	
CC1(CC(=O)C[C@@]23CCCC[C@@H]2CC3)CCCC1	2260627861	SBDVFMCEWKNTOS-PBHICJAKSA-N	248.410	4.886	0	10	BJAE	
Cc1cc(C)cc(OC[C@@]23CCCC[C@H]2CC3)c1	2260647422	OYYOPEXSHAFPAV-RDJZCZTQSA-N	244.378	4.653	0	10	BJAE	
CN[C@H](CCC1CC(C)C1)C1=CCC(C)(C)CC1	2261488950	KSSJNYSBSPZIIJ-ZBCRRDGASA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1CC(C)C1)C[C@H]1C=CCCC1	2261497912	QXCMLMONFLGRSS-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC[C@H]2C[C@H]2CC)CC1	2298128832	SDXBLHAIYJTCLA-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)[C@H](C)CC1CCC1	2298938142	DJTMETYJAATNIW-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@H]1C[C@@H]1C(C)(C)C	2300501136	JZYLTRHMTQQSPO-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CCC(=O)[C@@]12CCCC[C@@H]1CC2	2300673111	DECDDEGRFVMKSQ-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H](C)C1CCC1	2300871247	DCIHUBISMWFYRL-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@]1(O)CCCC12CCCCC2	2300879128	FGDVBDFYQAUNAX-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCSc1ccc([C@@H](N)CC=C(C)CC)cc1	2300899578	PQJGXMCFCYSUIS-HNNXBMFYSA-N	249.423	4.545	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)C1(C)CCCCCC1	2301958896	OKXVFNZMPJQGQN-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC1(CCC(=O)CCCC2=CCCCC2)CC1	2302298467	WSEVDFNVGSHKLZ-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CC1([C@@H](N)CCCC2=CCCCC2)CCCC1	2302347147	OQNWWFOFGDCSIT-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)C[C@H](N)CCCC1=CCCCC1	2302351365	HYVIFFHOTMJQCP-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC[C@@H](C)NCC(C)(C)C[C@H]1CCC(C)(C)C1	2302879092	XCGCKDFXTAFIRJ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCc1cscc1N[C@@H](C)C1CC2(CCC2)C1	2302889208	HXZXVVDOPWICDT-NSHDSACASA-N	249.423	4.691	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@H]1CC[C@@H]1C(C)(C)C	2303466243	ULTQWASALBPXJG-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@H]1CCC(C)=C(C)C1	2303526344	RPEHRIICPJCRKB-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CCN[C@H](CC)[C@H](C)CC[C@@H]1CCC(C)(C)C1	2304439659	MBNDFHGSSDADLO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@H]1CCC[C@@H](C)C1	2306838375	ZQFWZIDJHWTOQT-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC[C@H]2C)c1F	2307559666	RIIOKGPAHGRDNK-YPMHNXCESA-N	235.346	4.550	0	10	BJAE	
CCC[C@H](CC)CN(C)CC1(C)CCCCC1	2307748585	BEDCMWIMFDFYQH-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)CC1CCCCCC1	2307832329	SBFREYYDFGGZKY-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)CC1(CNC)CCC=CCC1	2307836145	WMOFXZPDNMVABX-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@H]1CCCCC1(C)C	2307892401	HSMWKRMGPODGDC-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccccc1CC	2307896736	XETJJNUFXGANEU-CYBMUJFWSA-N	232.367	4.648	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@H](CC)CCC	2307904418	UFLJYJDBSOKCGQ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CC)C1=CC[C@@H](C)CC1	2310963699	ZXNLJSGTIHZELU-JHNDHUHGSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1C)C[C@H]1CC=CCC1	2311274300	FBQBNZQSQNFLBQ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312907750	PTECORFHPBQWCF-MTERUZRBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2313291941	FOPXHNQJTJVARH-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC[C@@]12CCCC[C@@H]1CC2	2313311652	OODIJGSWZBQZNP-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2313345196	FOPFODZVSLUXSG-NNXHMXCWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1=O	2317007560	ACHQVMYCYXRQIG-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(C[C@@H]2CC[C@H]3CCCC[C@H]3N2)CC1	2317014165	WQTBLFJHRGMRFX-IXDOHACOSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](c1ccccc1C)[C@@H](C)[C@H](C)C(C)C	2317827892	OKHQOPLVINZCJV-VYDXJSESSA-N	247.426	4.574	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](NCCCC2=CCCCC2)C1	2318522354	RFHQLHWVYKHNNT-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@](C)(C=CCCC2=CCCCC2)CN1	2318549843	ANKDRVIEVGLRPC-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(N)CCCC1=CCCCC1	2318551698	RIRZFOKAPOLMKA-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)CC1CCC1	2318576085	LSZYATBTEXMEEU-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C1=C(CCCN2CCC[C@@H]2C2CCC2)CCCC1	2318583859	UOVSITGCWHUHES-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C[C@H]1CCCC2(CC2)C1	2318945028	VTGPJCPJHJSOHP-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C[C@@]2(C)CCCCN2)CC1	2318947406	UIKKRTBYMAPELQ-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1CCC[C@H]1CCCCC12CC2	2319000866	OXJBRGNEOWPWOX-BZUAXINKSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@H](N)[C@@]1(C)C=CCCC1	2320255947	XULDDIBYXKAZRE-AIANPOQGSA-N	249.442	4.523	0	10	BJAE	
CCc1cc(F)cc(NC[C@@H]2CCC(C)(C)C2)c1	2321076101	AJZGLMOQJKXJDB-CYBMUJFWSA-N	249.373	4.626	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CCC[C@@H](C)C2)C=CCC1	2326709462	QBAOBKOCBAZDQO-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc2cccnc12	19999653	CCTWQIOFZXQRIU-CYBMUJFWSA-N	242.366	4.616	0	10	BJAE	
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCCCCC1)C2	34995187	VQAOWXMGXIYMID-UNEWFSDZSA-N	249.442	4.514	0	10	BJAE	
CCCCCNc1ccccc1C(C)(C)C	35022593	SKLKQMPUNPWKCR-UHFFFAOYSA-N	219.372	4.586	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2ncc(-c3ccccc3)cc21	49829056	NSQHAVYSBBHLSF-QWHCGFSZSA-N	237.346	4.749	0	10	BJAE	
CN[C@@H](CCC(C)C)c1cccc2ccccc12	54439064	OOKUEGVXTBOPMI-KRWDZBQOSA-N	241.378	4.537	0	10	BJAE	
Cc1cc(OCCCC(C)C)c(C(C)C)cc1N	83153853	OKOJEZFVPYZRCZ-UHFFFAOYSA-N	249.398	4.516	0	10	BJAE	
CCCCCC[C@H](C)Nc1nc(C)c(C)s1	83532812	ILQLKTKIZXEJRD-JTQLQIEISA-N	240.416	4.531	0	10	BJAE	
CCCC[C@H](CC)CC1(O)C[C@@H](C)C[C@H](C)C1	84472905	HIHWMLJDKRMNPV-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC[C@@H](NC2CCCCCCC2)C[C@@H]1C	84981588	WKVSTVJJXLAJQH-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
CCCCCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1	86954061	YUYDBBLJCKKIGZ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1sc(C)cc1C	88047964	OOMYIYVIYLXEPZ-CHWSQXEVSA-N	240.412	4.615	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@H](O)CCCC2	88872906	IWWNBFUBEKMGML-QGZVFWFLSA-N	246.394	4.693	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CO)c1cccc(C)c1	93127830	FXOYOJGNZBBURQ-WBVHZDCISA-N	248.410	4.677	0	10	BJAE	
CC(C)CCC1(CO)CCC(C(C)(C)C)CC1	97149580	QLUSGTRNQPSUAW-UHFFFAOYSA-N	240.431	4.638	0	10	BJAE	
C/C=C\[C@H](C)Cc1c(C)c(C)cc(C)c1C	107657988	QUSMGBZCNMZZAG-TVRMLOFPSA-N	216.368	4.675	0	10	BJAE	
CC(C)CCCN[C@@H](C)c1ccc(C(C)C)cc1	109921190	WTUOBERWLRESAL-HNNXBMFYSA-N	247.426	4.897	0	10	BJAE	
CC[C@@H](C)c1cc(Cl)cc(Cl)c1	143304041	HHYFYQJXNNEUFW-SSDOTTSWSA-N	203.112	4.507	0	10	BJAE	
CCC[C@H](C)C[C@@H](C[C@@H](C)C(C)(C)C)NCC	162056498	HMCCQAWTOBILSF-ZNMIVQPWSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(C2CCCCCC2)C1	164802190	TVCOABMIAAWNSZ-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
Cc1coc(C2CCC(c3cc(C)co3)CC2)c1	196405970	RJRPHPJRKSIDFE-UHFFFAOYSA-N	244.334	4.931	0	10	BJAE	
CC(=O)c1ccc(-c2ccccc2C(C)C)cc1	198928635	WMMWTGAWXVICHF-UHFFFAOYSA-N	238.330	4.680	0	10	BJAE	
CCCSCc1c(Cl)cccc1Cl	201788433	JOVKQQYQILDBDW-UHFFFAOYSA-N	235.179	4.637	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2c(C)cccc2F)CC1	224960999	MVKSDUZLGAZLFF-KBPBESRZSA-N	249.373	4.905	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC[C@@H](NCC)[C@@H]1C	224982293	JIBCDUDABYTHQB-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)NCCCC1CCCC1	225106139	LAQYZXHSXJYJMM-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C	226679113	JNHYTHSEEKORKR-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CC[C@@H](O)c1ccccc1	227236938	OWBWNJGLODMOBE-HLLBOEOZSA-N	246.394	4.717	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@@H]1CCC[C@@H](CC)C1	227395051	ZSRKBJBBNCJGGC-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](N)c1ccccc1C(C)(C)C	229168045	ICVGCGYCKFFUIK-INIZCTEOSA-N	247.426	4.810	0	10	BJAE	
CCc1ccccc1NC[C@@H]1CC(C)=C[C@@H](C)C1	234151725	RKWIQBGIOCDGQJ-HIFRSBDPSA-N	243.394	4.653	0	10	BJAE	
CC(C)(C)CCCNc1ccc(F)cc1Cl	300932965	VFNATFZPHTUMNI-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CN[C@H](C1CCCCCCC1)[C@@H](C)CC(C)C	302569282	ORPPIUIJWUXINT-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@@H]2/C=C/CCCCC2)cc1Cl	306036566	SLNMGUOPATUETI-VUDGCMKMSA-N	249.785	4.949	0	10	BJAE	
CC(C)Cc1cccc([C@H](O)[C@@H](C)C(C)(C)C)c1	306058115	VPNHIWNNMJSIRW-CZUORRHYSA-N	248.410	4.601	0	10	BJAE	
CSc1sc2cccc(Cl)c2c1C	307112522	PWDHAEWGSGYBPI-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H](CC)CC(C)C	308053279	ISOUZGKHVWUBMH-AWEZNQCLSA-N	232.367	4.504	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H](CC)CC(C)C	308099457	QOIBYZXKFAOXBC-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CN[C@H](c1c(C)cc(C)cc1C)[C@H](C)CC(C)C	310616069	APUPUAFIYBFEMF-WBVHZDCISA-N	247.426	4.555	0	10	BJAE	
CC[C@@](C)(CNC(C)C)[C@@H]1C=CCCCCC1	317791592	XJSSAMLGEKGTJT-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@@]1(C2CCCCCC2)CC=CCC1	318950817	SCOOJUBVURRQTP-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCNC[C@]1(CC(C)C)CCC[C@H](CC)C1	319137246	FLYLYXPSAZHFAZ-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@H](C)n1ccc2cccc(Cl)c21	319614740	NWWIDJYFFJBGSC-JTQLQIEISA-N	221.731	4.512	0	10	BJAE	
CC[C@H](C)[C@H](C)n1ccc2cc(Cl)ccc21	319688338	WEAVKAHZYULPBF-QWRGUYRKSA-N	235.758	4.902	0	10	BJAE	
CCCNCC1([C@@H](C)C(C)C)CCCCCC1	320020970	OOIFWQVYDGOYHB-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](NCC1(CC)CCCC1)C1CCC1	322684759	KNMFNFRRRHPGJW-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC([C@H](N)CC2(CC)CCC2)CC1	380103457	XXQKCNUSBDROPK-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)c2ccccc2C(C)C)C1	381345571	LMCRKPKWDNIRKA-JKIFEVAISA-N	245.410	4.636	0	10	BJAE	
CC(C)CCCCCNc1ccc(F)c(F)c1	383273287	NSSLUWIYMDDGTG-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
CCCC[C@@H](CC1CCC(C)CC1)NC(C)C	383883969	KECJLQMURVLCSC-GPANFISMSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@H](C)c1ccccc1	384344881	YOQUGHDLLMVKBM-HLLBOEOZSA-N	248.410	4.758	0	10	BJAE	
Cc1cc(Cl)c(N[C@H]2CC[C@H]2C)cc1Cl	389656801	ZEYYPDALXHWKFG-HQJQHLMTSA-N	244.165	4.512	0	10	BJAE	
CCc1c(SC)sc2c(CC)cccc12	396176045	DGUHNUNBXIGVHV-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1csc2ccc(F)c(C(F)F)c12	396258736	XDWNMISJUGWUDG-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1csc2c(C(F)(F)F)ccc(C)c12	396307037	QQYCPHDDOCKKHL-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@H](C)C(C)(C)C	399165439	JYPWWCUAECYDGD-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C1=CCCC1)c1csc(C)c1C	399898341	RHMWEWNRPLJLIS-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CCCN[C@H](C)/C(C)=C\[C@@H]1CCCC[C@@H]1CC	401635606	BTCWVLYPSUBQQE-KLCGXRDVSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@H]1C[C@H]2C=C[C@H]1CC2	402163588	QTMBMRJLCDKZSC-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)CCCC1CCC1	688382107	KEPPUHJMBZQMLP-NTEUORMPSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCCC2CCC2)CC1	688991041	AABMHZDRPFHPIR-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CNc1cccc(C2CC2)c1	690091501	BPTNPZJCBJUTAR-XJKSGUPXSA-N	243.394	4.802	0	10	BJAE	
Cc1ccc(CC2CC=CC2)c2ccccc12	692138834	XFOZUEPBTJPIPC-UHFFFAOYSA-N	222.331	4.657	0	10	BJAE	
CCC1CCC(CN[C@@H]2CCC23CCCC3)CC1	694331795	PCBYSZMOKNSFKU-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](c1ccccc1)[C@@H](CC(C)C)NCC	695080354	WLCBLNVINKHHCX-DLBZAZTESA-N	247.426	4.595	0	10	BJAE	
CCC(C)(C)C[C@H](C[C@@H]1CCC[C@@H](C)C1)NC	696247047	FMMSXIFRMWXGLY-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCC[C@H](C)CC1	696809756	YTGHLQYLQZAZCI-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC(C)(C)C(C)(F)F	697028415	AYNSGIHCPMXXIB-UHFFFAOYSA-N	248.357	4.699	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)c1ccsc1	697757954	BAZWKDDPIIYULB-AWEZNQCLSA-N	237.412	4.535	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1C[C@@H]1C(C)(C)C	699759464	QFUZKWFVRBRXDR-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2C[C@H]2C(C)(C)C)cc1	699803758	VUGVKJXGMWQPPL-LSDHHAIUSA-N	244.378	4.675	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)C(C)(CC)CC	701257091	KNWQFHKYCUFOFS-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)CCCCCC(C)C	704976791	HQLBPIROQDOOEL-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@](N)(C1CCC1)C1CC1	705337949	OJSYBJGJCKJYKE-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H]1C[C@H](C)CC(C)(C)C1	708803433	JGPJPGITHDMVJO-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@](O)(C[C@@H](C)C(C)(C)C)C(C)(C)C	710709058	VLVLZUCKZXYUSJ-IUODEOHRSA-N	228.420	4.636	0	10	BJAE	
Cc1cc(N[C@H](C)CC2CCCCC2)cs1	710756396	XHVHFCNGEMYYFD-LLVKDONJSA-N	237.412	4.827	0	10	BJAE	
CCCC[C@H](NCC)[C@]1(C)CC[C@H](C)C1(C)C	710771176	YZSDCRINWOFBHQ-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC(C)(C)C(C)C)[C@H](C)C(C)(C)C	713145312	YPYWBHQHALNFQJ-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
O=C(c1cccs1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714476713	SEZWMCUPAYXXIC-YNEHKIRRSA-N	248.391	4.537	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCCCCC1(C)C	719223424	QYQOAOQKGVDMNA-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@](CC)(CO)[C@@H]1C[C@@H](C)C[C@@H](C)C1	719372303	OYHLNVCJPJSDJU-JJXSEGSLSA-N	240.431	4.638	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)[C@H](C)CC(C)C	720978125	QAWXIFCXBCKSPT-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H]2CC2(C)C)CC1	722844078	AVPRPBXXNUUQNO-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCCCc1ccc(Cl)c(C)c1	757155907	FJDAOLDYYOCFGB-UHFFFAOYSA-N	222.759	4.937	0	10	BJAE	
C[C@@H](NCc1cccc(C(C)(C)C)c1)C(C)(C)C	1171677175	GTVXEZAWRSUYNU-CYBMUJFWSA-N	247.426	4.508	0	10	BJAE	
CCC(C)(C)CCNC[C@@H]1CCCC(C)(C)C1	1308486305	OVWJUENUAFOVRF-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(CSc2ccccc2C)cc1	1458915500	GWRJYYPTGZBYQB-UHFFFAOYSA-N	242.387	4.850	0	10	BJAE	
C[C@@H](SCC(C)(C)C)c1ccc(F)cc1F	1473030074	CWURTURAIKEKKR-SECBINFHSA-N	244.350	4.805	0	10	BJAE	
Clc1cccc2c1CC[C@H]2SC1CCC1	1651996497	BSLCSLQKBPNHHS-CYBMUJFWSA-N	238.783	4.613	0	10	BJAE	
C/C(=C/Cl)CSC[C@@H](C)CC(C)C	1652796855	HAUPTYJSUWDMHZ-OYUORYAFSA-N	220.809	4.544	0	10	BJAE	
CCSc1nc(-c2cc(C)ccc2C)cs1	1860817112	XIPGXHDDTZHZLB-UHFFFAOYSA-N	249.404	4.539	0	10	BJAE	
CC[C@@H](C)N(CC(F)=C(C)C)Cc1ccccc1	1880368010	DXROYTMIXWYBSS-CQSZACIVSA-N	249.373	4.551	0	10	BJAE	
CCC(CC)CC[C@H](O)CCC1CCCC1	1900700260	BXEKFORAISJMBL-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)c1ccc2ccccc2c1F	1901880866	GPMXATFUXPHIDP-UHFFFAOYSA-N	216.299	4.883	0	10	BJAE	
Cc1csc(-c2nc([C@@H]3CC3(C)C)cs2)c1	1901911526	GTXWBIZITPQNBB-VIFPVBQESA-N	249.404	4.694	0	10	BJAE	
CCN[C@@H]1CCCCCCCC[C@H]1CC(C)C	1913425532	FMFGOCPHAVRFDV-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCC1CC([C@H](N)CCC2CCCCC2)C1	1921298842	ZCADSMMBOGGBSX-UYSNPLJNSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCC1(CN)CCCCCCC1	1921563088	MTNMBJGEGGUEHI-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@]1(N)CCCCC12CCCC2	1921566064	ZVJTUOYHSAYWQN-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C(C)(C)C1(C)[C@H](N)C[C@H]1C=CCCCC1	1925772670	NYIBPLNAIMRWLN-UONOGXRCSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@@H]1CCC[C@H]1C	1926189217	LZYDRPQXBBOUQX-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1926376818	VENLPOLZVQUOTM-XNISGKROSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)C[C@@H](C[C@H]1C=CCCCC1)NC	1926387292	OQMPMZYKOFVDKE-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCC[C@@H](C)CC1	1939904669	ZBCBIDWBKFQMEL-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC2(C)CCCCC2)[C@@H](O)C1	1940412861	JCPQEKZDNDPEOW-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1C(=O)CC1(C)CCC1	1940615440	CAPUAOFGKLGMCN-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CCCCCC1CC1	1941575345	NASZZZDUQCPXEW-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](NC[C@H](CC)C(C)C)C1CCCC1	1941929905	VFODGLOCTQNNMQ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2(C)CC(C)(C)C2)C1	1941988372	QQLLBGCFXCQFDP-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC(=O)c1cccc(-c2csc(CC)c2)c1	1942108348	AHVKILBLEFLNED-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)C1CCC(C)(C)CC1	1942662494	NZUMTVPLSDEZPT-UKRRQHHQSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@]1(N)CC(C)(C)CC2(CC2)C1	1943082435	ORACAEBWSIZULM-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1CCC(F)CC1	1944472087	PSBITNURVMAYMY-IYXRBSQSSA-N	242.378	4.690	0	10	BJAE	
CC(C)C[C@@H](C)Nc1ccc(C2(C)CC2)cc1	1944598187	KKXXIGKUIPTPPF-CYBMUJFWSA-N	231.383	4.585	0	10	BJAE	
Cc1cc(N[C@H](C)[C@H](C)CC(C)C)ccc1F	1948326268	KMNRZZWXDJYTIQ-DGCLKSJQSA-N	237.362	4.617	0	10	BJAE	
CCCCCC[C@@H](C[C@@H](C)C(F)F)NCCC	1948536907	GTODNFSFOOBNPM-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@](N)(C1=CCCCCC1)C1CCCC1	1948977616	KGDGYVPQFPWIBT-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCC[C@H](C)[C@H](NC)[C@H]1CCCC(C)(C)CC1	1950920003	RBJLTLPKTJSJHS-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](N[C@@H]1CC[C@@H](C(C)C)C1)c1ccccc1	1963312953	DPIVHGKIVRLKLC-BRWVUGGUSA-N	245.410	4.552	0	10	BJAE	
CCCC1CCC(NC2CC(C3CCC3)C2)CC1	1966049334	TZHRGIDQECHCAZ-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H](C)NCC(CCC)CCC	1981290650	VITXBBGDKCFBFF-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC[C@H](CNc1cccc(Cl)c1C)C(C)C	1988766785	FYWXYJIYZVBCIZ-GFCCVEGCSA-N	239.790	4.743	0	10	BJAE	
CCC(C)(C)C[C@@](C)(O)C1CCC(C)(C)CC1	1996560431	DPCUEBJREYEJJI-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H](C)C1CC(C)(C)C1	1998638526	ISCASJGMIPMQQL-GZBFAFLISA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@H]1CCCC(C)(C)C1	2000142887	IQTMTJXNEMMZCR-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(C(=O)CCC2CCCCC2)CCC1	2000194739	HGOHJNKHFGZKMN-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C1(C)CCCCCC1	2000212049	RLXXOCREIIHPAU-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCC1([C@@H](CCC(C)(C)CC)NC)CCC1	2000321547	DRIWZVYYACFALH-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](CC)(CN)CCC1=CCCCC1	2000502553	OCAJTBJYLWKTSN-INIZCTEOSA-N	237.431	4.812	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@H](C)C1CCC1	2000504405	HWPCJSVQBJYGRN-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1CC12CCCCC2	2001258521	GBVKJIKVSWCOOS-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C1(CCC)CCC1	2002511224	IMNOSEOUIJZZOP-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCCCCC[C@H]1NC	2003116815	LHEAMOSMHRCYMT-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@H](C)CC(C)(C)C)CCC1	2006965536	ORPVZWZISBQREM-MLGOLLRUSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)C1(C)CCC(C)(C)CC1	2007681001	DKNHWOFTRMQWLE-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](NCC1(C)CCC(C)(C)CC1)C(C)C	2007681586	NITQVZSFIXRHEL-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@@H](C)CC[C@H]1NCC	2009611930	PAADIGNUJUEQFX-PSVUTLLTSA-N	237.431	4.537	0	10	BJAE	
CC[C@](CNC(C)(C)C)(CC1CCC1)C(C)C	2012440032	MOQKJMLZCUJLGD-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)C[C@H]1CCC=CCCC1	2014845408	FHYDHVMNVCTXHL-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCCC1(C[C@@H]2C(=O)C[C@@H](C)C[C@@H]2C)CCC1	2015594647	IRSRSXPLDCBIKY-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](NC)C2(C)CCCC2)CCC1	2015642382	PVIIEKMMTKQGFI-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](NCCC)C1(CC2CC2)CC1	2015753260	PGSCEIYRRISSBJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(O)CCCC2(C)C)CC1	2017652040	AYLLTBQHBOOEIZ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CC2(CN)CCCC2)CC1	2017729499	XGZYFEQYPLDLDG-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C)[C@@H](N)C(C)C)CC1	2017735822	GKPCVLKKWWODIP-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C(=O)C[C@H]1CC[C@H](CC)CC1)C(C)C	2017774771	SQAHEZFXJLSMLA-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@](N)(CC)CC1[C@@H]2CCCC[C@@H]12	2018132133	RKZOIJWUWJAUFS-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC2(CC)CC2)CC1	2018950877	WTWFHHJPRRHORK-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCCC1(CC2(CNC(C)C)CCCC2)CC1	2018985945	VGFUTGSTBBANSX-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)N1CCC[C@@H]1C1CCCCCC1	2019306570	YENSNXXAKCJTAG-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N(CCC(C)C)CCC(C)C	2019389159	NPUQJWKAINHARK-HZPDHXFCSA-N	241.463	4.815	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C1CC(C(C)(C)C)C1	2019415884	SDWOZWNFCNGJSD-NFOMZHRRSA-N	239.447	4.568	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1C[C@H]1C1CCCC1	2022413443	DQYYXKGZNUTUOQ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(F)(F)CCCC[C@H]1CCCCCC[C@H]1O	2023304631	AZGNALUEQPHOQB-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CCCCC(C)(F)F)C1	2023354123	WFPSOOIKNOHJIB-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1C[C@H]2C[C@H]2C1	2026057953	BCYWURYLNATALT-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
Cc1ccccc1OC1CCC(C(C)(C)C)CC1	2028125643	OASYRCLACDZJBF-UHFFFAOYSA-N	246.394	4.979	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H](CC)C(C)C)cc1	2028252259	MZGDZORJVBNYLH-INIZCTEOSA-N	246.394	4.894	0	10	BJAE	
CC(C)(CC(=O)c1ccc(C2CC2)cc1)C1CC1	2028597702	JXAVOOKPFLSBNH-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
COc1cccc2c1ccn2[C@@H](C)CCC(C)C	2029836456	KSMTVLOKUNWUBA-ZDUSSCGKSA-N	245.366	4.647	0	10	BJAE	
CCNCC1(C[C@H]2CCC[C@@H]2C)CCC=CCC1	2032504335	AJRCSYCXPFZAFK-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@H](N[C@H]1CCCCC12CCC2)C1CC1	2035883900	AATKDFPLHIYYTH-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C1CCC(N)(C[C@H]2C=CCC2)CC1	2037305665	FSGKJWIPWDHCMJ-UQPPLGOBSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H](N2CCC[C@H]2C2CCCCC2)C1	2037671199	BVJZABBJUUQNMV-CVEARBPZSA-N	249.442	4.610	0	10	BJAE	
CN[C@H](CCC1(C)CC1)[C@@H]1CCC2(CCCC2)C1	2037689140	DAJOFSUAEFEVLD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(CC)c1NC[C@@H]1CC[C@@H](C)C1	2040168080	DKZSRJPPEIQUJE-ZIAGYGMSSA-N	245.410	4.660	0	10	BJAE	
CCCNCC1([C@H]2CCCC[C@H]2CC)CC=CC1	2042093315	FVJPEOHXRUMTKT-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2042343963	BQKDOJRMGCMMEQ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@H](NCCC1(C)CCCC1)C1CC2(CCC2)C1	2043547981	UUCXVDAAABCBRK-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCN(CC)c1ccc(CCC(C)=C(C)C)cc1	2044812498	LGGXGSRZISRWDH-UHFFFAOYSA-N	245.410	4.822	0	10	BJAE	
CCC1([C@@H](C[C@@H]2CCC=CCCC2)NC)CCC1	2045319777	HDBVLZSQBYFKOP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)[C@@H]1CCCC(C)(C)C1	2045392570	VXEMLMMBNXKSCZ-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2C[C@@H]3CCCC[C@@H]3C2=O)C1	2045455762	VBNFXPSWHKJYDH-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1NC1CC2(CCCCCC2)C1	2046232571	ZZKZRHKOJBMBHG-GDBMZVCRSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@@H]1C(C)=CCC[C@H]1C	2048876921	KIPWZJFMHORCEH-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)[C@H]1[C@H]2CCCCC[C@H]21	2049200722	LQJVXLLIHUMCKK-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(NC2[C@H]3CCCCC[C@H]23)CCC1	2049677750	GNEMYPQGWDSHSZ-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@@H]1CCC2(CC2)C1	2049845520	KUEKRZPVEBIFJI-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@H](N)CC2CCC3(CC2)CC3)CCCC1	2049860775	TWYDWNJJLABEFT-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@H](N)CC1CCC2(CC1)CC2	2049938205	OHMCLVGANASSCI-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@@]1(C)C=CCCC1	2049995797	BREWAAPBEWHOQX-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
C=CC=CCCC[C@@H](NCC)c1cccc(C)c1	2050448847	FLTJTUNUNVZIDC-QGZVFWFLSA-N	243.394	4.558	0	10	BJAE	
CCC1(C)CCC(Nc2ccc(F)cc2C)CC1	2051591036	VRKDDZFDPSQINW-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
C1CCC([C@@H]2CCCCN2C2CCCCC2)CC1	2051672574	UXTBVJIEGSPNQT-KRWDZBQOSA-N	249.442	4.754	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1)C1(C)CCC1	2052345919	SQVRJBUMWBGTMY-MPTYRVRUSA-N	249.442	4.514	0	10	BJAE	
C[C@H](Nc1ccccc1C(C)(C)C)C1(C)CCC1	2052349426	QUZYSXVEFVKLNK-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
O=C(C[C@H]1CC=CCC1)[C@@H]1CCCCC12CCC2	2053356623	FRJBPNSNIFNXCY-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C2(C3CC3)CCCC2)C1	2057607352	VGJJSZFNDIHIDA-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@]1(C)CC=CCC1	2059224985	IBFAWUVXKAPYQV-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
C/C=C/CCC[C@]1(CNC(C)C)C[C@H]2CC[C@H]1C2	2059259964	UMFREWRWXBVVGR-XAXOSQJESA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCCC)CCC12CCC2	2059260558	YWHRXCVHYLULDO-RCFWFJCLSA-N	249.442	4.683	0	10	BJAE	
CCN[C@@H](CC1=CC[C@@H](C)CC1)CC1CCCC1	2060929115	JWBHYSZPRUHRQB-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC=C(CC(=O)c2cccc(F)c2)CC1	2061186381	CZSPMWXHDZXPNL-UHFFFAOYSA-N	246.325	4.535	0	10	BJAE	
CCCNC[C@@H](C)[C@H](C)CC1CC(=C2CCC2)C1	2061667506	IMIDHOVECOQYRA-ZIAGYGMSSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C1CC(=C2CCC2)C1)[C@@H](C)[C@H](C)CC	2061741088	HDGCDWVGRKKCKD-IGCXYCKISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@]1(N)CC(C)(C)CC2(CC2)C1	2062648187	YQDNICXWIMYMOT-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1(NCC2C[C@H]3CCC[C@@H]3C2)CCCCCC1	2063477887	VKWXXIRHAGMJGV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063501230	NIZYZXOKVDEMJB-ZTNBSJNOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC12CCC(CC1)C2)C1(C)CCC1	2065302636	JUKGCFGURXNCRH-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(N)CC12CCC(CC1)CC2	2065336211	YPHPBBPDJOUYLY-MYBQVCMBSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC12CCC(CC1)CC2)c1ccc(N)cc1	2065337630	BMMFGBGQWKQMKW-TUBUQKNSSA-N	243.394	4.733	0	10	BJAE	
C[C@@H](C1CCCC1)n1nccc1C1CCCCC1	2070176646	LXDXGHLYRMLQMY-ZDUSSCGKSA-N	246.398	4.682	0	10	BJAE	
CC(C)C1(CC(=O)C2CC(C3CCC3)C2)CCC1	2071920792	AESXWDXBQOIRSH-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1cc([C@@H](N)CC2(C(C)(C)C)CCC2)oc1C	2071953797	PGSDQTKKPVOITI-ZDUSSCGKSA-N	249.398	4.503	0	10	BJAE	
C[C@@H]1CCC[C@H]1N1CCC[C@@H]1C1CCCCCC1	2071968699	JKBVBCYMGKMRQL-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)c1ccc(C(C)(C)C)cc1	2072091874	ACHBQHYQSIDETQ-OCCSQVGLSA-N	244.378	4.603	0	10	BJAE	
CCCC1CCC(CNC[C@H]2C=CCCC2)CC1	2072681319	HOFHQIGFEPVECI-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)c2ccccc2C)CC1	2072703462	ZWKRADRZZXEJOZ-SHTZXODSSA-N	244.378	4.784	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)c2c(C)coc2C)CC1	2072882155	SDKVYFZOWMFKDY-HDJSIYSDSA-N	248.366	4.686	0	10	BJAE	
CCCCC[C@@](O)(CC)c1cccc(CCC)c1	2073343383	VIDUVNRCCKACJD-KRWDZBQOSA-N	248.410	4.817	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)C1(C)CC=CC1	2074644020	MHKIWYVJVIFOTB-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2C=CCCCC2)CC[C@@H](C)C1	2075362882	NIXBEHRRUDEZHI-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H]1C[C@H]1C1CCCCC1	2079435846	QXNSTNNWPZMQHV-KQFSBCPLSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@@H]1C[C@H]1C1CCCC1	2079634052	RDFYGFRAWRLRDW-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(C2CCCCCC2)CCC[C@H]2CCCC[C@H]21	2081133854	SMMJHPHZFMYRJG-OIISXLGYSA-N	249.442	4.645	0	10	BJAE	
CCC1C[C@@H]2CC[C@H](C1)N2[C@@H]1CCCC(C)(C)C1	2084427884	VYPJULNAOJFJJZ-WTXIUTQJSA-N	249.442	4.608	0	10	BJAE	
C[C@H](C[C@H](N)CCCCCCC1CC1)C1CC1	2213580933	QHSLOYPYOLTPHR-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NCCCCCCC1CC1	2213583364	RDTZHOOTBSREGT-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1CC)CC(C)(C)CC	2215266091	NXJVTMQADSTZKW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CC[C@@H]2C[C@@H]2C)CC1	2215302226	QKGYSQUASCRCMY-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC[C@H]1C[C@@H]1CC	2215362417	AJXUQQRQGHDSDO-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
N[C@H]1CCCC(=CCCCCCCC2CC2)C1	2216862887	MNNKQSPXZFDOHV-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
C(CCCC1CC1)CCCN1CCCCCC1	2216876299	BYSHAHFHXCUYCW-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
CCC[C@@H](C)C[C@H](CNC1CCC1)CC(C)C	2217124673	JMPCZAHFFJGBQJ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@@]1(CN[C@@H](C)CC)CCC1(C)C	2217137132	JVQAGPOQAARCRN-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CC[C@@H]2CCC[C@H]21	2218719845	CHDCBSDQWDEGPY-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(=O)C/C=C/c1ccccc1)C(C)(C)C	2219087335	WTXVPJFXACXMLN-ZHZWZMEUSA-N	244.378	4.731	0	10	BJAE	
CCCCC[C@H](C)Oc1cccc(C(=O)CC)c1	2220721718	KQVFNTXEDRTSKH-ZDUSSCGKSA-N	248.366	4.627	0	10	BJAE	
CCC1CCC(NCC2(C)CC3(CCC3)C2)CC1	2220936884	USWSJLCVGDGYCW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(CNC2CCC2)(C2CCC2)CC1	2223583283	CQIKKBRTZYKCKZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)C(=O)CCCC[C@@H]1C[C@@H]1C	2243023973	DBOANCGPYAHBBK-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H](CC)CCC	2244782402	MMXKBSSMFZQREJ-KOMYPQRHSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1csc(C(F)F)c1	2244783558	QXKYAEZEGYMKJK-GZMMTYOYSA-N	248.338	4.545	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H](C)C2CCC2)C1	2246662408	GQNWJGPBIPHISL-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@H](C)C1)[C@@H](C)CC	2246728651	RBELDDWIGBPVHO-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](CCCC[C@H]1C[C@@H]1C)NCC	2247162958	DPOZSSQCRSEHEJ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)CC[C@H]1CCCC12CC2)C(C)(C)C	2247644515	ZBOMBZMWITVZOV-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC1CC(NC(C(C)(C)C)C(C)(C)C)C1	2247751070	SEBGVGGENMESHE-UHFFFAOYSA-N	239.447	4.616	0	10	BJAE	
CCc1cccc(F)c1N[C@H](C)c1cccs1	2248102003	JJBWGRPWQVBRJD-SNVBAGLBSA-N	249.354	4.623	0	10	BJAE	
CC(C)CC[C@@H](C)NCC(C)(C(C)C)C(C)C	2248374449	USSJCCACFVBLAO-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](C[C@H]1CC1(C)C)[C@@H](CC)CCC	2250353534	VQIAWTKNMNHHDH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CNC(C)(C)C1CCCCC1	2250383164	HSJLPYIEVOAEBB-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CNCC[C@@H](C)CCCC(C)C	2250494545	BVWKIDPEYXKQEL-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](C)CNC(C)C	2250528312	MPSIMYORAWZEEC-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCCCC(C)(C)NC[C@@]12CCCC[C@@H]1CC2	2251158719	PHYHLOSXXMPDKH-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)Nc1cccc(C2CCCC2)c1	2251242959	JMOCRQCKTOHMRF-CYBMUJFWSA-N	231.383	4.945	0	10	BJAE	
C/C=C/CCC[C@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251697993	QDJPZUJNFOQROG-HYLRALAJSA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](N)CC[C@@H]1CCCCC12CC2	2253839177	MNLZAOJCVXCSRV-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CNCC[C@@H]2CCCCC23CC3)CC1	2253894782	OIMHCZZDWQPAER-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC2CC3(CCCC3)C2)CC1	2254071780	IMPLZOQRNNATGF-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)CC12CCC(CC1)C2	2254586352	CPDZIXUYMGPXLW-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)CC[C@@H]1CCCC12CC2	2255256648	AGHZONFPKPSKBJ-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](CCC1CC1)CC[C@@H]1CCCC12CC2	2255291102	MGMQYDSLNUXPDK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@@H]2CCCC23CC3)C1	2255333076	LSBMSJYIWWHJGH-MOKVOYLWSA-N	248.410	4.598	0	10	BJAE	
Cc1cc([C@H](N)CCCCC[C@@H]2C[C@H]2C)c(C)o1	2257240915	MEEPTHQICVQIPR-DJSGYFEHSA-N	249.398	4.503	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](c1ccccc1)C(C)C	2259477139	GPTLUKSVBNZVEW-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCN[C@@H]2CC[C@H]12	2259616347	SWAJZVPXFZFPIF-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCc1ccccc1OC[C@]12CCCC[C@@H]1CC2	2260577479	FVZUFYZSXMIYTC-NVXWUHKLSA-N	244.378	4.598	0	10	BJAE	
CC1(CN[C@@]23CCCC[C@@H]2CC3)CCCCCC1	2260617187	JGCXJUZWPSLALM-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(O)CCCC(C)C)C1	2300470857	DNCOGZZEGUVQPV-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCC(=O)C[C@@H]1CCC[C@@H]2C[C@@H]12	2300699955	IXBLVCUEUNTTCD-LZWOXQAQSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@H]1CCCC[C@@H]1CC=C(C)CC	2300902057	QBLORUHKCKHNTL-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCC(C)(C)[C@H](CC1CCCCCC1)NC	2301139464	GOEJUGDQUOZJJR-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1CCCCCC1)NC	2301147128	GSMSAHJERVNIRP-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N(C)CCCCCC1CC1	2301698631	RJMQIGKDMLTODR-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H](C)[C@@H](C)C(C)C	2301839911	KEJHYGOOHFMTOI-OFQRWUPVSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)CCC1=CCCCC1	2301922922	FJKVIJPDNKXPEI-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)CC1(C(C)(C)C)CCC1	2301936873	ZWPDFRMEMRAHSP-DZGCQCFKSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303461274	IHVWHBLLYYCLCY-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@H](CCC(=O)c2cccs2)CC1	2303520212	CWKAEWSWXASKFC-ZDUSSCGKSA-N	248.391	4.848	0	10	BJAE	
CCC[C@@](O)(CC[C@@H]1C[C@H]1CC)C1CCCC1	2303570548	PLFQBXZALYVCCT-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CCCCC1CC1)NC	2307899267	PGZKZUZQNVXBBQ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC[C@@H](NCC)[C@@H]1C	2307906269	CYWWEOSBZMUSTM-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309130748	VJPHSKGIKXPRSI-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C[C@@H]1C[C@H]1C(C)(C)C)C(=O)c1ccccc1	2311610040	ZEYQHDMDOSHBEQ-NWANDNLSSA-N	244.378	4.578	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C[C@@]23CCC[C@@H]2CC3)CC1	2313348530	IFRIZDOURRXJJJ-YVSFHVDLSA-N	249.442	4.645	0	10	BJAE	
CCc1cc([C@H](N)C[C@H](C)C(C)(C)C)ccc1C	2314701620	DRSKHVGFVAMNCZ-XJKSGUPXSA-N	247.426	4.630	0	10	BJAE	
CCCCC[C@@H](NCC)c1ccc(C)c(CC)c1	2314711365	KOAUHCJMQDIABB-QGZVFWFLSA-N	247.426	4.788	0	10	BJAE	
CC(=CCC1=C[C@@H](N)C[C@@H](C)C1)CCCC(C)C	2316506376	NKUACCRJGAYHDM-RDJZCZTQSA-N	249.442	4.833	0	10	BJAE	
CC(=CCC(=O)[C@]12CCC[C@@H]1C2)CCCC(C)C	2316511794	WNPJJIGXFKVENJ-WBVHZDCISA-N	248.410	4.908	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccncc1C(C)C	2316601833	YNOSVQIILXOGDW-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC(C)(C)[C@@H]1C	2318184389	GWPTUXGSNXIVLC-CZUORRHYSA-N	245.410	4.965	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1[C@H](N)CCCC1=CCCCC1	2318581313	VPJYNBXFWGQFDK-HRCADAONSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(O)CCC23CCCC3)CC1	2320338262	UHOLWWSYJLPYTN-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CC2CC(C)(C)C2)CC1	2320401679	KZZKTEDCWKPBLK-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCC(C)=C(C)C2)CC1	2320413527	SWZAOCNNKZWKNE-CGZBRXJRSA-N	249.442	4.824	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@@H]2C=CCCC2)c1	2320518834	XIUVKYLCJOQOOV-RHSMWYFYSA-N	243.394	4.556	0	10	BJAE	
CC=CC[C@H](NCCC)c1cccc(C(C)C)c1	2320526000	UWKJYLZKWLCIIE-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CCc1cc(F)cc(NCCCC[C@@H]2C[C@H]2C)c1	2321074216	KDYDZZIMRNLFQI-TZMCWYRMSA-N	249.373	4.626	0	10	BJAE	
CCCC1(C[C@@H]2C[C@H]3CC[C@H]2C[C@]3(C)N)CCC1	2327773643	MCTNXKFATVEMHN-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1ccc2occc2c1	2328197463	UIACXNZRYQUFHG-SWLSCSKDSA-N	246.350	4.683	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1c(C)cc(C)cc1C	2328280461	AJUMYSNRQIGQPB-CVEARBPZSA-N	247.426	4.828	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(F)cc1C	21504808	OZFYRTAMBHXETL-SMDDNHRTSA-N	237.362	4.761	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccc(C)c(Cl)c2)o1	21806405	RMWQPMXLVKGFQB-NSHDSACASA-N	249.741	4.723	0	10	BJAE	
CN[C@H](c1ccc(C2CCCCC2)cc1)C(C)C	35117421	YGOPWHVDBUXPGA-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](C)n1c(C2CC2)nc2ccc(Cl)cc21	40407688	AQXNLURSIUCTAU-VIFPVBQESA-N	248.757	4.538	0	10	BJAE	
CCC[C@H](NCCC(C)(C)C)c1cccs1	49543949	UXGWCAQIDVPDTE-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccc(Cl)cc2C)C1	70748777	HJXITPFZXKUBRG-AAEUAGOBSA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@H](C(C)C)[C@@H](C)NCCC	71084429	JXAKHIUWCNSEMF-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CCC(C)C	71085050	ABXHVWNKKYYCEM-CYBMUJFWSA-N	212.377	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cc(C)cc(C)c2)C1	71105815	KQABBMLCNHWWEO-GJZGRUSLSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccccc1SC	71159518	JFCWWXSKKVLZRC-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
Cc1ccc(-c2cc3scc(N)c3s2)cc1	75465447	CSYBMQGKYMMSEY-UHFFFAOYSA-N	245.372	4.520	0	10	BJAE	
Cc1c(Cl)ccc(C2CCCCC2)c1F	75841107	BENKOMCAGZQQBK-UHFFFAOYSA-N	226.722	4.835	0	10	BJAE	
Cc1cc(C)c([C@@H](C)NC[C@@H](C)C(C)C)c(C)c1	81045171	KVYTVUDKPOUMOY-HZPDHXFCSA-N	247.426	4.555	0	10	BJAE	
CCCCC[C@H](CC)NCc1cc(C)ccc1C	83377771	QQXGESZGTOBVMQ-KRWDZBQOSA-N	247.426	4.752	0	10	BJAE	
CSc1ccc(N[C@H]2CC[C@H](C)[C@@H](C)C2)cc1	84981452	ZMVULWVHKZLZIA-OBJOEFQTSA-N	249.423	4.645	0	10	BJAE	
C1CCC([C@@H]2CCCC[C@@H]2NCCC2CC2)CC1	88454947	YKRPGWYRSPDHLJ-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)cc(N[C@@H](C)C2CCCCC2)c1	91510554	RDJHPQDMZKKNKN-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cc(C)cc(F)c1	91510769	RHJLRXPYXPLJDR-RISCZKNCSA-N	237.362	4.761	0	10	BJAE	
CCCCC[C@H](C)NCC[C@@H](C)c1ccccc1	104040785	IJJWFOICVAJMRM-CVEARBPZSA-N	247.426	4.739	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)c1c(C)cc(C)cc1C	109946584	MAWXVHJSDHUVKR-JKSUJKDBSA-N	247.426	4.841	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCC(C)(C)C2)cc1	129209684	SXYDBEYNXOKZMB-OAHLLOKOSA-N	231.383	4.801	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCCC2CCC2)CC1	133961069	ZGASPYGLDHPCFT-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC(=O)c2cc(C3CCCCC3)ccc21	136908983	QEFQZMITIFJWLR-LBPRGKRZSA-N	242.362	4.814	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(C(F)F)cc1	155830242	GBPUZGRWRWIZLS-ZDUSSCGKSA-N	242.309	4.628	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CCCC(C)C)CC1	165689869	ZNCANAWMJSQCNT-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)[C@H](C)CCC	229151427	AEOKLWUSXMXSSZ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)c2c(C)cccc2C)C1	233917670	LJSDXFKESOJJJY-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@@H]1CCC[C@@H](C)C1	233976325	PQOBENXJSCEITC-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](NC(C)(C)CC(C)(C)C)C1	251694203	AYTFZRDKXASKPY-WDNDVIMCSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCC(c2ccccc2C(C)(C)O)CC1	258442933	YBUBCNQPWCZIBY-UHFFFAOYSA-N	246.394	4.598	0	10	BJAE	
CC(C)n1c([C@@H](C)C#N)cc2c(Cl)cccc21	259931011	FAFVUHMLDQJXTP-JTQLQIEISA-N	246.741	4.503	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C1=CCCCCCC1	300141227	RHIGVKMZOZWPNI-HOCLYGCPSA-N	237.431	4.811	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CCCC(C)(C)C	300838348	JKTUXRGUCOPVKX-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)CCC1CCCC1	302296951	YROLLYGUQOEOGL-IAGOWNOFSA-N	246.394	4.512	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cccc(CC(C)C)c1	302334816	ILAFPLKPQALNMA-WMLDXEAASA-N	248.410	4.745	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCC1CCCC1)NC	305961202	OOFUKPUEPKOHQL-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(C)c(CC)c1	306045448	SWYRADPMOCXTFL-AWEZNQCLSA-N	233.399	4.938	0	10	BJAE	
C[C@H](CCC(C)(C)C)Nc1ccc(F)c(F)c1	306066978	VADUDEPDJIOQJE-SNVBAGLBSA-N	241.325	4.592	0	10	BJAE	
CSc1cc(Cl)cc2c(C)csc12	307514189	ZQXYYSHAFFMGFT-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC(C)(C)C2=CCCC2)C1	308754323	HOLKICDMJGOKNB-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@H](N)CCCC(C)(C)C)CC(C)(C)C	309992263	UTDULCGBEARGHM-ZIAGYGMSSA-N	241.463	4.993	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)C(C)(C)C(C)(C)C	310587933	WWYJZKPEKMVPGZ-CYBMUJFWSA-N	241.463	4.863	0	10	BJAE	
CCCOc1cccc2c1ccn2[C@H](C)CCC	310605610	AKLYGFWCAPRKLI-CYBMUJFWSA-N	245.366	4.791	0	10	BJAE	
CC1(CC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1	310822985	KCSCGTPQAAFMRO-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CCC1(C[C@H](O)c2c(C)cc(C)cc2C)CCC1	310983089	RHINDZUYJPLRGW-HNNXBMFYSA-N	246.394	4.616	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNCC)CCC[C@@H](C)C1	317143213	QLZGGQIHDAIBNE-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC(C)C)CC[C@@H](CC)C1	318043641	JJIQOQPGEKPKGY-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@@H](C)[C@@H](C)CC	319648652	FCEXPNXOVLTUJM-YHUYYLMFSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)c1csc2ccccc12	319750204	YXIMMLXXDADVHC-PGUXBMHVSA-N	247.407	4.583	0	10	BJAE	
CC[C@H](Nc1ccc2ccccc2c1)[C@H]1C[C@@H]1C	322067502	RXYFSQCBTRGBGD-ZLIFDBKOSA-N	239.362	4.686	0	10	BJAE	
CC[C@@H](C)c1csc(-c2csc(C)c2)n1	381315626	VBHBWMNFWZXAMG-MRVPVSSYSA-N	237.393	4.694	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1CCCC1(F)F	381482545	FRMYEEARNCUCHD-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@]1(CCCCCC(C)C)CCCN1	383125300	JYPPTVIQTJXQCT-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)CSC(C)(C)C	383130414	KRJBWIMXUCRRFZ-UHFFFAOYSA-N	244.444	4.694	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)CC1CCC(C)(C)CC1	383455254	HZHKBZJWFJAPSP-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(C)c1NCC1CCC(C)CC1	383596575	PGCRDTQHLSGCNA-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
C[C@H](C[C@H]1CCCCC[C@H]1O)C1CCCCC1	383742112	CJNFEQCLMXGIOT-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@](O)(CC)c1ccc2ccccc2c1C	384357059	FOWWUGPMNJZGMS-QGZVFWFLSA-N	242.362	4.546	0	10	BJAE	
CCCN[C@@H](c1cocc1C)C1(CC)CCCC1	385539394	VKSZSEWJEMIMOF-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCc1c(F)ccc2sc(C(F)F)cc12	396195053	ISXVSRXRXQDGDF-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CSc1cc(C(F)F)c2ccsc2c1F	396249185	QDBZBSKCTSKEOL-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCC[C@H](c1nc2cc(C)c(C)cc2[nH]1)C(C)C	587954900	HLTIABNVKPFWTA-ZDUSSCGKSA-N	244.382	4.719	0	10	BJAE	
CC[C@@H](CC1(c2ccccc2)CCCC1)C(C)=O	686745807	FTVPJCXOJYBCKI-HNNXBMFYSA-N	244.378	4.504	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H](C)CC1CC1	690188070	CBMIBJUZJUPSCY-ZDUSSCGKSA-N	245.410	4.720	0	10	BJAE	
CCC(F)(F)C(C)(C)C[C@H]1CCCCCC1=O	691043888	LOZIMNQUKSNHLV-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1CC2CCC1CC2	691647485	FYQOVENZCAFOQM-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCCC3(CC3)C2)CC1	695718321	UQXDMCAZNUSNSL-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)c1ccco1	696672503	LQYJJFFFTCXRTD-CYBMUJFWSA-N	237.387	4.537	0	10	BJAE	
CC[C@@H]1CC[C@](CCC(C)(C)CC)(CNC)C1	696802259	JWDMUTZANRVJDE-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCCC(=O)c1cc2ccccc2s1	697834546	FZYVORGFGRBAKG-UHFFFAOYSA-N	244.359	4.830	0	10	BJAE	
CCNC[C@@]1(CCC=C(C)C)CCC[C@@H](C)C1	698032114	JQEAGYRUADWPPP-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)=CCCCc1ccccc1Cl	698083991	LVNYUVPXLUBZNX-UHFFFAOYSA-N	208.732	4.629	0	10	BJAE	
C1=C[C@@H](N[C@H]2CCC23CCCCC3)CCCCC1	703416517	BZOBJARMOOHUAQ-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@H](C)CC(C)(C)C)cc1	704727123	FKZFQJLFHBNCOO-CJNGLKHVSA-N	247.426	4.882	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)C1CCCCC1	704863651	RTEWNBHRHTZQPB-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C(C)C)C1CC1	705333645	HLNZSQULARUHDG-INIZCTEOSA-N	231.383	4.657	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H]1CCCC12CC2)C1CCCCC1	706286863	UPPAYFHSDHURRR-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)(C)C)CC1(C)CC1	709089330	NLMZHROGQMMKFZ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC)CCC[C@@H](C)CC(C)(C)C	709188809	NZUOFQVAXMYTQS-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1cscc1Cl	710472126	GDXXBMOZMHZHKT-SKDRFNHKSA-N	245.819	4.618	0	10	BJAE	
CCc1ccc([C@](C)(O)C[C@H](C)C(C)(C)C)cc1	710805489	SHVRISMSRRRUDC-SUMWQHHRSA-N	248.410	4.529	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)C[C@H]2CC[C@H](C2)C1	711200815	FWTPVTJTDXQQGS-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@@H](C)C(C)(C)C	711228960	IEXNAQPCCIPGSC-OLZOCXBDSA-N	226.404	4.700	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]21	712411707	ZCORMPNMEJBPBU-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
C=C/C=C/CC[C@@H](CCC(C)(C)C)NCCC	713707397	ZFOBJFJXYYTOBM-HVHJFMEUSA-N	237.431	4.703	0	10	BJAE	
CC1(C)CC[C@@H](CCC2CCCCC2)[C@@H](N)C1	717465221	ARTOSDIJUDPZMF-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cccc(CC(C)C)c1	721701683	IKJUAJIOPTXMAF-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
C1=C[C@H](N2CCC[C@H]2CC2CCCCC2)CCC1	1167251940	OMWYCNXLIMWRKK-IRXDYDNUSA-N	247.426	4.530	0	10	BJAE	
CCC(CC)CSc1cc(C)ccc1C	1188243260	HIDNKWRRIZIAPP-UHFFFAOYSA-N	222.397	4.832	0	10	BJAE	
C=C/C=C\CCS[C@@H](C)c1ccc(F)cc1	1559365905	BJMCMTOLTFHIDD-RXNFCKPNSA-N	236.355	4.752	0	10	BJAE	
CC(C)C[C@H](C)N(C)Cc1ccccc1C(C)C	1875781657	JXZRFKQGDASKQA-HNNXBMFYSA-N	247.426	4.676	0	10	BJAE	
CCC(CC)c1cc2sccc2s1	1889470408	QZQYHCFWQXBDLO-UHFFFAOYSA-N	210.367	4.866	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Oc1cc(F)ccc1Cl	1901618858	QYOOELVSPCFRLP-NXEZZACHSA-N	244.737	4.539	0	10	BJAE	
Cc1cc(-c2cc3cc(F)ccc3o2)cs1	1901897185	KLOLCWHJMVFIEQ-UHFFFAOYSA-N	232.279	4.609	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@]1(CCC)CCCCCN1	1910744874	XHISPQFVWCCQKC-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
C=CC=CCCCc1cccc2ccccc12	1911876843	NVHBKDOMRBPHLH-UHFFFAOYSA-N	222.331	4.905	0	10	BJAE	
C=CC=CCC[C@@]1(CNCCC)CCC[C@@H](C)C1	1912030814	AKGAMMYCTHDKJK-IAGOWNOFSA-N	249.442	4.705	0	10	BJAE	
C=CC=CCCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1	1912070450	SRHUHPATIFNKFT-HZPDHXFCSA-N	249.442	4.703	0	10	BJAE	
CN[C@@H]1CCCCCCCC[C@H]1C[C@@H]1C=CCC1	1913410197	ILGHMFHJEXMUPA-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1CC(CC)C1)C(C)(CC)CC	1921305368	PDQPPAXAMGUPPM-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@@H]1CCCC12CCC2	1921587552	XACMFSWJJPAROX-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H](C)C2CCCC2)cc1	1923893124	NCNORWPXLJKYQF-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CNC[C@@H]1CCCCC[C@@H]1C[C@H]1C=CCCCC1	1925890195	DMEMRIFAXPQVPN-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1csc(Cl)c1	1933607292	IXBZVNQAJWWIHE-JOYOIKCWSA-N	245.819	4.618	0	10	BJAE	
CCCC[C@](CC)(CN)[C@H](C)CCC(C)C	1937168416	IETIFWRCUOGIFX-HUUCEWRRSA-N	227.436	4.604	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@H](C)C2CC2)cc1	1940723000	NKMABWZNBJUOQJ-OLZOCXBDSA-N	232.367	4.625	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)CCCC1CCC1	1941464530	QQJNRJFKVYVICV-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](CC2CCC=CCC2)C(=O)C1	1941792722	ICIVEUPHOBZVJR-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
C[C@H](CC(C)(C)C)NC1CC2(CCCCC2)C1	1941794970	DOEPGJSFRWDEOU-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@H](C)CC[C@@H](N)c1ccccc1	1942662202	PJMSZVDOFFBMMJ-GOEBONIOSA-N	233.399	4.539	0	10	BJAE	
CCC[C@@]1([C@@H](C)CCC(C)C)CCCCCN1	1942664635	UAMJJEQPKMSQPN-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@H]1CC1(CN)CCCCCCC1	1944820173	PKDYIDSXNSTKMQ-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
O=C1CCCCC[C@@H]1c1csc2ccccc12	1945623963	ZTPCMIWRGVYIQE-LLVKDONJSA-N	244.359	4.518	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCCCCCC(C)C	1947466684	UHBKRNRTFYPZGG-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC1CC(CNC2CCCCCCCCC2)C1	1947879808	CYAPIDWZDDUZKD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CCC(F)(F)CC	1947887485	VYXZCEPBVIBPKC-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)C1CC(C)(C)C1	1948156285	VFIODRPUMJIMDS-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@H]1CCC[C@@H](C)CC1	1948325549	HKXZUJTVSVJPQF-UGUYLWEFSA-N	239.447	4.616	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H]2CCC[C@H](C)C2)C1	1948406583	CEKUXXSCMBMFTB-ILGZHXLLSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C1=CCCCCCC1	1948952147	UBZGESWSLZNGKE-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@H](C)C2CC2)CC1	1949072235	NFEJAMLUUVRFCH-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@@H]1C=CCCCC1	1949119716	HVIFZYXBSQWJBK-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CC2(C)C)CC1	1950918844	LPSIKQAXOSELAZ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@]1(CN)CCCC(C)(C)CC1	1950919192	NIFHBTPJVAGCLE-MRXNPFEDSA-N	239.447	4.892	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1CCCC(C)(C)CC1	1950919464	PCPOYYMRLVSSNL-CQSZACIVSA-N	234.383	4.684	0	10	BJAE	
CC(C)c1cccc(CN2CCCCC2(C)C)c1	1962887025	TZQWMKHHRNLHAI-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
c1csc(CNc2ccccc2C2CCC2)c1	1966032898	VXWQXACHTBVEEC-UHFFFAOYSA-N	243.375	4.628	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H]2[C@H]3CCCCC[C@H]32)c1	1968307760	PSMTVJLXVIIXHL-FVQHAEBGSA-N	243.394	4.542	0	10	BJAE	
Cc1ccc(NC[C@H]2CCCC3(CC3)C2)cc1F	1968320822	RQNBEFKKCGPGFA-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1N[C@@H]1CCCC2(CCC2)C1	1968831868	YMZBAMAESBNXFH-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(NCC2CC(C(C)(C)C)C2)c1F	1969467965	MGXOKEXZVISSLC-UHFFFAOYSA-N	249.373	4.618	0	10	BJAE	
CCCC[C@H](CC)CN1CCCCCC[C@@H]1C	1970723969	UBHMWGSBPMOVFS-HOTGVXAUSA-N	239.447	4.857	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)CC1CCCCC1	1973173340	ULEVPRRJFCSRAH-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
F[C@H]1CC[C@@H](CCC2CC(=C3CCC3)C2)C1	1985534703	MHYUDLOMNWWDOO-ABAIWWIYSA-N	222.347	4.795	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)C1CCCC1	1990093292	JMNPLSPRMDLVFI-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
CCC[C@H](C)CN[C@H](C)C1CCC(C)(C)CC1	1996569450	YBERGINVSRMEOJ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCSc1ccccc1N[C@H]1CC[C@@H](C)C1	1996575644	VVHIEDPTWKEOST-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
CC(C)CCCCNC[C@H]1CCC[C@@H](C)CC1	1997117221	PNJRFRSWZFFOJL-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCCC(=O)C1CC(C(C)(C)C)C1	1998234496	JIJWBPLCWRQDFJ-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C1CC(C(C)(C)C)C1	1998259175	QZGHIJSNUHTEGR-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
C[C@H]([C@H](N)C[C@@H]1CCC=CCCC1)C(C)(C)C	1999994134	RHHAEMGTYYKVEY-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@H]1CCC=CCCC1	1999997023	UYXVPHXMUDILGO-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)C1(C(=O)[C@@H]2CCCC(C)(C)C2)CCC1	2000193016	DWGLJRRQZWCTMF-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1[C@H]2CCCC[C@H]12	2000214775	IKWKQPJPQHVLCE-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@](C)(O)[C@@H]1CCCC(C)(C)C1	2003015566	DXYIRFGXIATEKV-TTZDDIAXSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@]1(CNCCC)CCCCC12CC2	2005562092	XVDPXICBSKQMDH-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C(C)(CC)CC)[C@@H]1C	2006983604	LVECXWUHYDBYJG-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H](CC)C(C)(C)C)C1	2007774308	GRYLPZGSFZCXJB-JXQTWKCFSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1CCC1(C)CC1	2009534817	JRAHHLBGZFQUHN-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1CC(=C2CC2)C1	2011076737	VSSLVAOHDXMUGC-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](CC)C1CCCC1	2013267615	RYDIVEWOTZHTEC-HOTGVXAUSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H](CC)CCC(C)C	2013271450	SGAGGNDBHKGPFK-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)CC(C(C)C)C(C)C	2015272275	CJBQMDANNVNPMW-ZBFHGGJFSA-N	242.447	4.738	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCCC[C@@H]2C)CCC1	2015585044	WRMZMZUNTZTALD-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)c1ccc(C2CC2)s1	2016118705	ZLFRCHNJZORBIQ-OAHLLOKOSA-N	249.423	4.546	0	10	BJAE	
C[C@H]1C[C@@H]1CCNC1CCCCCCCCC1	2016826649	LIKYJNQEBUAYIE-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC1CC(O)(C[C@H]2CC[C@H](CC)CC2)C1	2017653432	SPYQFFWIYVHIJM-MSBXVQKDSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCCC2(C)C)CC1	2017730677	JUNSXTILRAPCIS-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](CC)[C@H]1CC1(C)C	2018075707	WJNLCQXIXULYIB-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H]1CCC2(CC2)C1	2018130962	LZHIHHIKDXRNHN-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@]12CCCC[C@@H]1C2	2018588339	TYNVEHFSYKUYTE-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCCN(C[C@H](C)C1CCCCC1)C(C)(C)C	2019232529	MNOCKPMYOCCIII-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC1(CC)CCC(O)(CC2=CCCC2)CC1	2019784496	RJTHWFPBFTXKBH-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCN(CC(C)(C)F)C1CCCCCC1	2020504849	SRLCKMMTLLXARG-UHFFFAOYSA-N	243.410	4.559	0	10	BJAE	
CC=C(CC)[C@@H](CC1=CCCCC1)NCCC	2020969012	YEQJBRCPWNQVBS-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C(CC)(CC)CC	2020974247	OFIFMYWBMDZLSV-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@@H]1CCC)CC(C)(C)C	2022484348	OHMDHSZGMPQWRZ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)CC=C(C)C)CC1	2023326569	ZUONEXVZYKVFHH-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)C[C@H]2CCC[C@H]1C2	2026245385	UFHBDZAIYFNDHT-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(c2nc(CC3CC3)cs2)CC1	2026541575	GPGVELJDXXOLKX-UHFFFAOYSA-N	249.423	4.779	0	10	BJAE	
CCCN[C@H](C)CCCc1ccccc1C(C)C	2027498467	GGTPLSHJJMKYSS-OAHLLOKOSA-N	247.426	4.521	0	10	BJAE	
CCCN[C@@H](c1ccccc1C1CC1)[C@@H](C)CC	2028550289	VCZCWULRNDHIPR-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc([C@@](C)(O)CCCCCC2CC2)cc1	2028619582	TZLLTEGXDDTVFB-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CC1(C)CCC(C)(C)C1NCC1CCC=CCC1	2028872159	ACQMVKRTYWKSKX-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2030241748	MERPSEFDMHZTIM-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@H](N)C2=CCCCCCC2)C1	2030249710	FZRKBCKLGYZFRB-YQFWSFKMSA-N	249.442	4.667	0	10	BJAE	
O[C@H](CCC1CC1)c1ccc(C2CCCC2)cc1	2031751828	IJBSKUBEYXSYOA-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
FC1CCC(C[C@H]2CCNc3ccccc32)CC1	2032174879	SMFLGRJWNKWUJM-ROKHWSDSSA-N	247.357	4.504	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CCC(C)(C)C1	2035587281	BMYKTEACPNVTHC-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1(C[C@@H]2C=CCCC2)CCCCC1	2035598757	GMOPDJHGONALHV-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
NC1(C[C@@H]2[C@H]3CCC[C@H]32)CCCCCCCCC1	2035884401	ACFSHJDCMACMTQ-ZSHCYNCHSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)CCC1(CNC2CC2)CC2(CC2)C1	2036187843	DYWXGQHSMACJRS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(C2=CCCCCC2)CC[C@H]2CCCC[C@H]2C1	2037100561	CIGIOVKQUHYKBY-HLLBOEOZSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CC12CC2)CC1CCCC1	2038114622	LVSXDYDAHSRKOS-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1C[C@H]2C[C@H]2C1)C1CCCCC1	2038328393	SXXVSVZMHWMYBT-UGQVUOCMSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2CC23CCCCC3)C1	2039011250	GDFMBXVEROAGEB-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C1CCC2(CC1)CCC[C@H](NCCCC1CC1)C2	2040762359	CCRMEUPUJJBBTJ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H]1CCCC12CCC2	2043186690	GQRHGLXFUVJZGZ-HOCLYGCPSA-N	247.426	4.578	0	10	BJAE	
CN(C[C@H]1CCC=CCCC1)C1(C)CCCCC1	2045308121	RBXVPBWWWOAHDD-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)C1CC2(CCC2)C1	2045313935	DYHYPEUFMHHCMX-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
C[C@H](C[C@@H]1CC12CCCCC2)c1cccc(N)c1	2047020371	PDKJDYAPFIWEHL-UKRRQHHQSA-N	243.394	4.733	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1[C@H]2CCCCC[C@H]12	2048363494	PYGWBNVVMMMZJA-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2[C@H]3CCCCC[C@H]23)C1	2048367402	ZBDUDPCVCTYDPI-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C[C@H]2C=CCCCC2)C1	2049565534	ZASAPMUTQYDYSJ-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CCCC1CC1)C[C@H]1CCCC2(CC2)C1	2049849154	OHJYMBGXBNXNIV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CC1)C[C@H]1CCCC2(CC2)C1	2049853370	DTZSWUFYVSEGMD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@]1(C)C=CCCC1	2049995602	AOJIFRPITDBSIZ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1[C@H](O)CCCCCCC1CC1	2050442322	UYYNLTGFCXZSHY-QGZVFWFLSA-N	246.394	4.779	0	10	BJAE	
Cc1cccc(C(=O)CCCC[C@@H]2CC2(C)C)c1	2050457221	AAGIHPXPOWCQNE-OAHLLOKOSA-N	244.378	4.784	0	10	BJAE	
C[C@H](NC[C@@]12CCCC[C@@H]1CCC2)C1(C)CCC1	2052350069	WHSZAMBJAGGNKE-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)c2cccc(F)c2)CCCCCCC1	2052501635	YWRTWFFOTHRFFU-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CCNC[C@@]1(CC2CCCCC2)CCCC12CC2	2053361721	XVUBFGDEPKRYPG-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCC1CC(C[C@@H]2c3ccccc3NC[C@H]2C)C1	2056644210	AFTGWXRNUKQAEF-WOICTCIZSA-N	243.394	4.658	0	10	BJAE	
CCc1ccccc1NC[C@@H](F)C1CCCCC1	2058029055	CSIXRTMRXMDWSB-OAHLLOKOSA-N	249.373	4.579	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@H]1CC12CCCC2	2059179199	ZIOBUBCZOKZKHX-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCC	2059225655	PFWGTOKWHZPHIJ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1C(C)=CCC[C@@H]1C	2059249199	FSYJPYCUXOXRHM-YESZJQIVSA-N	249.442	4.703	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CC1CC(=C2CCC2)C1	2061736767	KIGMYIZXPGLBRN-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)[C@]1(C)C=CCC1	2062640813	FLOKEISFHVDGQB-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CCCNCC23CCC(CC2)CC3)C1	2065299645	DIYXYVHKFNNMCM-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(CN[C@@H]2CC[C@@]3(C)C[C@H]23)CCCCCCC1	2065665845	XPLPYFAEANIKKD-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)C2(C)CCCC2)cc1	2067507399	BGOULBULFIFDMS-CABCVRRESA-N	245.410	4.614	0	10	BJAE	
C[C@H](NC[C@H]1CCCC12CCC2)C1(C)CCCC1	2067520750	OYGNDAYLUDKRFU-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCCCCC12CC2)[C@H]1CCC1(C)C	2068349467	VUNDBPAPSRWFGY-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1ccccc1C1CCC1	2068986535	JSUUPGNFNUQJSH-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CC12CCC2)C1CCCCC1	2069191565	ZLURXJBNIUTQCO-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCCC3(CC3)C2)CCC1	2069278637	LUDZLBFPXPSWED-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@]23CCC[C@@H]2C3)cc1	2070791549	XHLDPLHFTCRISS-YSVLISHTSA-N	243.394	4.802	0	10	BJAE	
CC(C)(C)C1(CN[C@H]2CCCC3(CC3)C2)CCC1	2071933559	MJSOVLUQELAUCK-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1(C(C)(C)C)CCC1)c1ccccc1	2071941932	YUWWNAPYTPTQSK-HNNXBMFYSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CC[C@@]2(CCN2CCC2=CCCCC2)C1	2075147727	XBQBKZPSBQVRAR-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
CCCN(CCC=Cc1ccccc1)C(C)(C)C	2075151528	JGULJMNVQODKBR-UHFFFAOYSA-N	245.410	4.600	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](CC)CC1)[C@@H]1C[C@H]1CC	2079221327	CQJNMTQMTUWOLH-SRABZTEZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@H]1C1CCC1	2079345481	MYGUJEHLNUOGPP-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CC(=O)C[C@@H]1C[C@@H]1C1CCCC1)C1CC1	2079862549	HTIOLZOZCNNYCH-CZUORRHYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)C1CCC(C)(C)CC1	2080259379	IJTRELSUBVQCJF-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC=C(C)[C@H](NCCC)c1cc(C)cc(C)c1C	2082930149	NIXHKHFKQCJJNE-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
Cc1ccc(C)c2[nH]c([C@]34CCCC[C@H]3C4)cc12	2083309904	RVVNGWWFSBBQLR-GUYCJALGSA-N	239.362	4.616	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C(C)(C)CCC	2212112715	BKKKZGPMOGAYCD-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
C1=CCC(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2212390175	YYHOCQGCVDBFGH-ARFHVFGLSA-N	218.384	4.949	0	10	BJAE	
CC(=O)CC(C)(C)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213296643	ADFHPNVBJWTADT-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
CCC1(C)CC(N)(CCCCCCC2CC2)C1	2213571486	JFJWKHLJLQPXQT-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CCCCC2CC2)C1	2214561759	ANLKUHBCAVTNPX-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCCCC2CC2)C1	2214571945	YSHDXOOBEUBAFZ-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@H]1[C@@H](C)[C@H]1C	2214998069	XUJYUBPCMUUEEW-GNXNZQSNSA-N	247.769	4.505	0	10	BJAE	
Cc1sc(C(=O)C[C@@H]2CC=CCC2)c(C)c1C	2215548022	VZBHJZMBUACEKD-CYBMUJFWSA-N	248.391	4.602	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@H](C)CCC(C)C)CC1	2215824924	YSANWRYCAFRHGO-ZBFHGGJFSA-N	236.399	4.764	0	10	BJAE	
CC[C@@H](C)NCC1(CC(C)C)CCC(C)CC1	2217152294	COERDRPGRGVLTI-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC2(CCCN2[C@H]2C=CCCC2)CC1	2218018170	RBLCAPPDIIZXDH-HNNXBMFYSA-N	247.426	4.530	0	10	BJAE	
C[C@H]1CCCC[C@@]1(N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218356076	JDAWUVCCIUEGTI-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1CC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218358142	VBTOUPVRNRRRFM-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)ccc1C(=O)CC1(C)CC(C)(C)C1	2221089175	XRKKYXMZOJRWKX-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CCCC2)CC=C(C)CC1	2223590950	BBTDQBGALVWSIX-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)CCCC2(C)CC2)cc1	2223968653	MAASVIOWFVRQQP-AWEZNQCLSA-N	244.378	4.638	0	10	BJAE	
Cc1sc(C)c(C[C@H]2C=CCCCC2)c1C	2243601745	BGGKRQIJWNSYBY-AWEZNQCLSA-N	234.408	4.962	0	10	BJAE	
CCC[C@@H](CC)C(=O)CCC(C)(C)C1CC1	2244768284	WDMCLSPURAUJMR-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)c1nc(Cl)cc(C(C)C)n1	2244795902	KFXHHUHHVVHXTE-JTQLQIEISA-N	240.778	4.547	0	10	BJAE	
CC[C@H](C)[C@@H](N)CCC[C@H]1CCCCC12CC2	2246608274	YKIJJPWLIPRIAN-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC(C)N[C@@H](C)[C@H](C)CC[C@H]1CCC[C@@H](C)C1	2246671129	XCCXYEUKVLRJNI-LVQVYYBASA-N	239.447	4.616	0	10	BJAE	
CCC1(NCCCC[C@@H]2C[C@@H]2C)CCCCC1	2247095699	ZDWVZKAGNQWRIT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H]1CC1(O)CCCCCCCC1	2247343922	AOTXCWAXLNFSDG-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
N[C@H](CCC1CCCC1)c1csc(C2CC2)c1	2248043905	FATAHAJOXZUBAZ-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)[C@H]1CC12CCC2	2248283842	RVLDQAGDXJGYEX-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)[C@H](CCCCC[C@@H]1C[C@@H]1C)NC	2248823352	UTSHOPHTXLDESP-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1(CC)CCC1)NCC	2250359640	DWFSLLTWVBXEEP-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1CC[C@@H](C)[C@H]1C	2250468822	IFOSFBJBIMHPJK-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1C[C@@H](N)C1(C)C	2250469299	NHJFCSIXAUBTTL-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CCC1(N)CC(=CC[C@@H](C)CCCC(C)C)C1	2250512738	AFWMJRLOEQJUEI-LBAUFKAWSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(CC)NCC1CC(CC(C)(C)C)C1	2251531643	NTVDWBRFIHDNEN-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@H]2CCCCC23CC3)C1	2253812888	YYLBFJRAFIILMT-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC[C@@H]2CCCCC23CC3)C1	2253856007	PBAVCEXDEUGBER-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1	2253939320	RSIWQFHZFMJBOF-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN[C@H]1CCCCC12CCC2	2254520050	GWWGGBSRKVKKQO-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)C[C@@H]1CCC12CCC2	2255024410	LIXGLNKKQRLSBF-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)CC1=CCCCC1	2255139516	CTUBBGLBDVYSPU-WMLDXEAASA-N	247.426	4.731	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)C1(C2CCC2)CC1	2257340159	MIRKBONQEHEOQC-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1ccc2ccccc2c1	2259445976	XWYPXSLZEUSVPQ-GUYCJALGSA-N	242.362	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2260499953	HPFLYQRVCZIVLF-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@]12CCCC[C@H]1CC2	2260525051	RKYQOQWNXSMGDY-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCNC[C@]23CCCC[C@@H]2CC3)CC1	2260559963	YGQYQELEWYBQKA-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](CC(F)F)C[C@](C)(N)CCCC(C)C	2300504834	FVFRDXYSOICBQQ-GXTWGEPZSA-N	249.389	4.602	0	10	BJAE	
CCC[C@@](C)(CC=C(C)CC)CNC(C)(C)C	2300864797	FLKFUYOQRSSJET-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N(C)C[C@@H](C)CC(C)(C)C	2301702234	VMLACJVVTORDAR-ZNMIVQPWSA-N	241.463	4.671	0	10	BJAE	
CCCCCC1CC(O)([C@@H](C)[C@@H](C)C(C)C)C1	2301862559	VOTBCBNSHBKZEP-FXQLRMTLSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@@H](C)[C@@H](C)C(C)C	2301954037	VXYOHCYOYBBAIV-VGWMRTNUSA-N	242.447	4.882	0	10	BJAE	
Cc1ccc2nc(-c3csc(C)c3)ccc2c1	2302249068	JBOWGKUQGPQROR-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CC1CCC(C[C@H](O)CCCCC2CC2)CC1	2302580492	SLOWLIOWVPSQAY-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](C[C@](C)(O)CC2CCCC2)C1	2302710729	STWOPUYYBCMLFI-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C)CC(C)(C)C[C@H]1CCC(C)(C)C1	2302750761	LQNFUZXWLBWVRK-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)C2CCCCC2)C1	2302764201	VEASZZOJVRFLAD-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](C[C@@H]1CCC(C)(C)C1)NC	2302898459	GYVVKIMSGPYWJX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303464850	IZCLGEIPVWUMCF-QWHCGFSZSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CN)CCC(C)=C(C)C1	2307840746	DCPTUKOAIIJTJR-JKSUJKDBSA-N	237.431	4.668	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@@H]1C[C@@H](CC)CCC	2307902528	LFSYGAXRGYZXQP-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2308397843	YHZXIZDMZZKJFQ-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1	2312670388	NSTWOXVKDZYINV-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313181385	QGFGDCQVRWVOHL-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@@]12CCCC[C@@H]1CC2	2313345042	BUXPTZGOGBDYBK-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CC1CCCC1)C[C@@]12CCCC[C@@H]1CC2	2313347195	VMRLKLKFAPFDFO-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](N)C[C@@H]1CCCCC12CC2	2313705354	SIXHUHKPOMCEAA-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC(=CC[C@]1(N)C=CCC[C@@H]1C)CCCC(C)C	2316501610	GGURFQXLVIQWOP-DLBZAZTESA-N	249.442	4.833	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@H]1C[C@@H]1C1CCCCCC1	2316508585	KWJHHAYUDWVBQB-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c(NCCCC[C@@H]2C[C@@H]2C)c(C)c1	2318882317	ZQTUNKDJFCIMKF-XJKSGUPXSA-N	245.410	4.850	0	10	BJAE	
N[C@@H]1CCCC[C@H]1C=CCCCCCCC1CC1	2318952841	WPFUBKRQXBIHNC-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C[C@@]23CCC[C@@H]2C3)C1	2321625922	QTEUBTNGAWYBLC-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)C2(C(C)C)CC2)c1	2327704844	YVDVNYCSPALVMX-MRXNPFEDSA-N	246.394	4.588	0	10	BJAE	
CNCC[C@@H](c1ccc(C(C)C)cc1)C(C)(C)C	11630206	SRLCLOXVJQBBQM-INIZCTEOSA-N	247.426	4.549	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc2oc(C)nc2c1	19993249	JSCYTNANOHIHKL-LLVKDONJSA-N	246.354	4.517	0	10	BJAE	
Cc1ccc(F)cc1NC1CCCCCCC1	21031870	OYBZCIAEFPUYEK-UHFFFAOYSA-N	235.346	4.659	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCCC1=CCCCC1	21802489	SRDXZXJTRSSALJ-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@H]1CC(=O)c2cc(C(C)(C)C)ccc21	41291258	AUUCICFDTZIVCV-LBPRGKRZSA-N	244.378	4.700	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccccc1SC	71159519	JFCWWXSKKVLZRC-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
CCCCC[C@H](O)C[C@H](CC)CCCC	78138313	YOIYKKLGDLFRMF-KGLIPLIRSA-N	214.393	4.534	0	10	BJAE	
CCCC[C@@H](CC)Cn1ccc2ccccc21	81219075	BUIHQQHBTMFKCB-CQSZACIVSA-N	229.367	4.858	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Oc1ccc(C)cc1C	85154981	LYDSSQKDJJDOAX-GOEBONIOSA-N	232.367	4.651	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Sc2cc(C)ccc2N)C1	91933926	GVCPFPWODWBHLG-CHWSQXEVSA-N	249.423	4.638	0	10	BJAE	
C[C@@H]1C[C@H](CC2CCCC2)c2ccccc2N1	92345002	HSBNATVONFFRLB-TZMCWYRMSA-N	229.367	4.555	0	10	BJAE	
CCCCC[C@@H](CNC(C)C)c1ccc(C)cc1	93138952	MYHMDNOZKLEXFD-KRWDZBQOSA-N	247.426	4.657	0	10	BJAE	
CCCC[C@@H](CNCC(C)C)c1cccc(C)c1	93141856	KJOQGAVZPFHDQD-KRWDZBQOSA-N	247.426	4.514	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC1(C)C)c1ccc(C)cc1	94305763	JIKZDYPLRLZQBY-CVEARBPZSA-N	245.410	4.614	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@H]2CCCCC2(C)C)c1	94323004	LBTQSNRVNXDIJU-ZBFHGGJFSA-N	245.410	4.614	0	10	BJAE	
CCc1ccc([C@@H](CC)N[C@@H](CC)C(C)C)cc1	103973001	OJSKUKUUAIIAJO-DLBZAZTESA-N	247.426	4.724	0	10	BJAE	
CCc1cc2cc([C@@H](C)CC)ccc2nc1Cl	104185316	RZTRWSDEOMSUML-JTQLQIEISA-N	247.769	4.964	0	10	BJAE	
C/C=C\C[C@@H](CC)c1ccc(Cl)cc1	107561764	HPVLJQMEDRLQPI-USEMIUTHSA-N	208.732	4.800	0	10	BJAE	
CCC(CC)CC[C@@H]1CCc2ccccc2N1	110437804	TVJQBWCMDILDAW-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
Nc1csc2c1CCCCCCCCCC2	132977613	NQXGHESREIPTOX-UHFFFAOYSA-N	237.412	4.550	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](NC)C1CCCC1	133068176	RSTGWZBWIXCGEQ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC(CC)CC	148270823	OMBXAEAWCGNWIY-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](c1ccoc1)C1(CC(C)C)CCCC1	164941618	SBHIGJYKHRZBHC-HNNXBMFYSA-N	249.398	4.537	0	10	BJAE	
CC(C)CCC[C@H](N)C1CCCCCCC1	165960693	ZIBYTVYKUYONJR-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(C(=O)C2C[C@@H](C)C[C@H](C)C2)cc1C	166028377	RYNZJQPRLRBZCI-RYUDHWBXSA-N	244.378	4.558	0	10	BJAE	
N[C@@H](C1=CCCCCC1)C1CCCCCCC1	203576703	BQWWLPXNVRECLA-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@H](C)[C@@H](C)C1	220614524	UUFDGCAXYCIDKR-OFQRWUPVSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1CCCC1(C)C	226810373	SZAKSMVOZKDZAK-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@H](/C(C)=C\CCNC(C)C)C1	227057166	BTPAYZIGGZHQLJ-JMVFYIHGSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)c2ccc(C(C)C)cc2)C1	227457862	HVFCUXYIEXQIBH-COXVUDFISA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CCC2CCCCC2)C1	229456304	TXTIYAJGLQRAJE-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCC1CCCC1)c1cc(C)cc(C)c1	229485251	XTCBGKQOGNWKRX-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCC[C@H](NC[C@@H]1CC[C@@H](C)C1)c1ccccc1	230406123	ODEQJENBXHIQQG-INMHGKMJSA-N	245.410	4.554	0	10	BJAE	
CCC1(CN[C@H]2CCC[C@H](C)CC2)CCCC1	232885808	MCAKRNPCBKZIQO-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CCC(C)(C)C	252217722	ZPDDOCYCUPPLCW-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)C[C@H](CCC(C)(C)C)NCC	300812896	GALWTMPAUADANZ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCc1ccc(N[C@@H](C)C2CCCCC2)cc1C	302274541	HVPLTNIIUYGLDF-AWEZNQCLSA-N	245.410	4.938	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](CCC2CCCC2)C1	304123827	DKOAZPVMMAPEGY-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2CCC(F)(F)C2)n1	304152446	HWPRANWUBXZJNQ-IUCAKERBSA-N	245.338	4.559	0	10	BJAE	
Clc1ccccc1NC(C1CCC1)C1CCC1	306072191	CUBPNONWDQBAFE-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
CSc1csc2c(Cl)cc(S)cc12	306655558	YEIVXAODMCEZOJ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Cc1cccc2sc(C(F)F)c(Cl)c12	306678208	AOPVBFUGMPECOU-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCc1cc2scc(Cl)c2cc1CC	307492653	HOJCJVXVCJFMMH-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H](CC)CC(C)C	308095878	MJFSPTQLCDKTNK-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc2c1ccn2[C@H]1CCC[C@H](C)C1	310043540	VYJIVSBYJKLCHT-JSGCOSHPSA-N	227.351	4.701	0	10	BJAE	
Cc1ccc2ccn(CCC3CCCC3)c2c1	310069706	ZKJUTVYFVRDJSB-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@H](C)CC(C)C	310101008	KUTGXFFNABRIMC-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C)CCCC1CCC(C)(C)CC1	310556600	YPKALWNRYRNXKH-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC2(C)CCCC2)CC1	310560800	VPJMLDYJQZTIGP-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC(C1CCC1)C1CCC1	310624804	JHOLNFAHIDAVJI-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NC[C@@H](C)C2CCCCC2)c(F)c1	311123874	ZYOMDVXJZVDRSS-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
CC[C@@H](C)c1csc(C2(C)CCCCC2)n1	312933111	MRVGYPQWMWUXAQ-LLVKDONJSA-N	237.412	4.878	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cc2ccccc2s1	319648625	FBJCORHTPYJHCL-QWRGUYRKSA-N	246.375	4.766	0	10	BJAE	
CCCCC[C@H](O)C[C@H](C)C1CCCCC1	380169487	WORQELPXLHYZIK-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](Nc1ccccc1C)c1ccsc1	382060237	ALVABHOKRJGGEV-CYBMUJFWSA-N	231.364	4.620	0	10	BJAE	
CC[C@@H](CCCCCC(C)C)CNC(C)C	383267802	MWVJGZPNMLCJCJ-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](CCC)C[C@@H](C)C1CCCCC1	383622936	AENAVEXFHIVYIA-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC([C@@H](O)CC2(C)CCCC2)CC1	383797807	SGULBSJCMZDFAW-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCC[C@]1(CN)CCC1CCCCC1	384801141	YAIVNSBFJJZGAW-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CC[C@H](NCCC1CCCC1)c1cccc(C)c1	385126979	HKDFJLUBOBURQY-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)c1ccc(C)o1	385948998	XHBISSQZYZRDLB-HNNXBMFYSA-N	247.382	4.519	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1ccc2sccc2c1	386240303	OQABSNUWOWZZDO-ZDUSSCGKSA-N	247.407	4.727	0	10	BJAE	
CCC(CC)NCC[C@@H](C)CCC=C(C)C	390800512	YBCYMKXEAJRVLO-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC/C(=C/C1CCC(C(C)C)CC1)CNC1CC1	393977289	SNONKDDCPKXOAQ-KAMYIIQDSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1cc(F)cc(Cl)c1	394980274	FSAJIYJIRJRQKJ-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
CCC[C@H](CC)NCCCC1CCCCC1	395170989	ADLKWRLPULVJRV-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCCCC(=O)c1ccc2sccc2c1	395274849	CJQOWCUXAQYXBC-UHFFFAOYSA-N	232.348	4.664	0	10	BJAE	
CCc1cc(F)c2cc(C(F)F)sc2c1	396195084	IYBDCZCFRHVOJS-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)c(C)c1)[C@H]1CC1(C)C	397634296	VOLJWBCGXNIEKV-HZPDHXFCSA-N	245.410	4.930	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCC[C@H]1C[C@H]1CC=CCC1	402353170	NBCCRZRBWDXLRS-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@H](C[C@H]2CC=CCC2)C1	402379590	XMVQZUXPZXATEO-TWMKSMIVSA-N	249.442	4.524	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1	403610879	IRPHMHYGMZRNIE-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CC(C)(C)c1ccccc1)C(C)(C)C	686664250	BCSBIWKXBMNGTM-KRWDZBQOSA-N	247.426	4.508	0	10	BJAE	
CCC[C@H](NCCCC1CCC1)c1ccccc1	689008953	BTRNTVQPHJGOSO-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CCCCCC[C@H](CCCC(F)F)NCCC	689056213	CGGNDFLMHHSKJW-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
CCN[C@H](CC1CCCC1)C1CCC2(CC1)CC2	695648721	VVSKRPMQQDBIFI-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)c1ccc(C)cc1C	696595449	VLENDDBORZICID-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)c1ccco1	696672504	LQYJJFFFTCXRTD-ZDUSSCGKSA-N	237.387	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CCC(C)(C)CC)C1	696715022	YGFIASSEUKNHHU-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@]1(CNC)CCCC[C@H]1C	696800739	DRSGATFBDBESHX-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CCC[C@H]2C[C@H]21	697773280	CMXVVMQUEHATCI-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(-c2ccc3ccccc3c2C)c(O)c1	699636039	SXCJRDSWNJRFPC-UHFFFAOYSA-N	248.325	4.829	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@@H]1C(C)(C)CC	701136499	JBMNVGLMGIOSFK-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)c1cccs1	704888293	DVKQLGROKLDQNY-JSGCOSHPSA-N	239.428	4.529	0	10	BJAE	
CC(C)c1cccc([C@@](C)(N)CC2CCCC2)c1	704940659	XAGUSWCESWPNFN-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1n1ccc2c(F)cccc21	704959396	NMTICWDRGJKEOO-RISCZKNCSA-N	231.314	4.532	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CCC12CCCCC2	705250752	FWXLHPZLWUVGGP-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCSc1cccc(N[C@@H](C(C)C)C2CC2)c1	705310417	XQLIABVHVWBYKB-HNNXBMFYSA-N	249.423	4.645	0	10	BJAE	
C[C@H](N[C@H](C)[C@@]12CCCC[C@H]1C2)C1CCCCC1	709157626	WFQZIUINYHDGBN-FSDCSDTHSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(N)C[C@H](C)CC(C)(C)C	709165710	MUCLZAWSEARJAP-WWGRRREGSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2ccc(C3CC3)cc2)C1	709649117	WCDQESWQMJRIFB-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CCCN[C@H](CC[C@H](C)C(C)(C)C)CC(C)C	710767391	PZNZXHAILFQJQB-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C[C@@H](N)CCC(C)(C)C)C(C)(C)C	711108534	WHDGBIPMNWESAM-OLZOCXBDSA-N	227.436	4.602	0	10	BJAE	
CCNCC1(C[C@@H](C)C(C)(C)C)CCCCC1	711160902	WBYFHSRBVSARIX-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1sccc1Cl	711307627	IGDLAGGWGUQVIZ-SNVBAGLBSA-N	245.819	4.618	0	10	BJAE	
CCc1ccc(N[C@H]2CC(C)(C)CC[C@@H]2C)cc1	713056003	BTXFIFBRWBTOSC-BBRMVZONSA-N	245.410	4.876	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1CCCCC1(C)C	713325888	LRTOTAUQAYPCEK-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCCCCN[C@@H]1CCC[C@H]2CCCC[C@@H]21	714293427	XYROWYWHISUUJO-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)NCC1(C2CC3(CCC3)C2)CCCC1	717603689	YNNVXXKSYMQQBJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCc1cscc1C(F)F	720332254	ARVLCGYCZABKQU-UHFFFAOYSA-N	230.323	4.975	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C[C@@H]2CC2(C)C)CC1	722586226	LQVRPIKLXPWHCX-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](N[C@@H](C1CCCC1)C1CC1)C1CCC1	723959758	LICASQPMQDDJTJ-IRXDYDNUSA-N	249.442	4.514	0	10	BJAE	
Cc1csc(SCC2CCCCCC2)n1	1307255362	GKQGHYRDZSRSDU-UHFFFAOYSA-N	241.425	4.514	0	10	BJAE	
Cc1ccc(N(C)C[C@@H]2CCCC[C@H]2C)c(C)c1	1559489732	COKLTMQCHVNRIQ-ZBFHGGJFSA-N	245.410	4.566	0	10	BJAE	
CCCNCC(=CC1CCCCCCC1)CC	1883193436	IPRVPDVUQDZCTH-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
C1=C(CCCc2cccs2)CCCC1	1889681502	RFOKVTQJXYTAPG-UHFFFAOYSA-N	206.354	4.571	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC=C(C)CC	1900883000	BPHJSQWQPQHOCG-GJZGRUSLSA-N	225.420	4.667	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1cc(Cl)ccc1F	1901621886	AGIOOESPYHISRR-ZJUUUORDSA-N	243.753	4.572	0	10	BJAE	
CC(C)CCCCCC[C@H]1CCCC[C@H]1N	1902107863	CMYBTFGNFJXCEH-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
C=CC=CCCNc1cccc(Cl)c1Cl	1911782519	UQWGPHLOORVBIG-UHFFFAOYSA-N	242.149	4.538	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@@H]1CCC[C@@H](CC)C1	1911940750	ZDMOKRNNBNFVFG-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@@H]1C(=O)C[C@@H](C)C[C@H]1C	1916078936	JWQMQMLAIFNTFZ-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@](O)(CC)CCC(C)(C)C1CC1	1919498018	PKANNCSOKSGATG-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@](O)(CC(C)C)c1ccccc1	1920031319	UDNZBEHJKYUWJI-ZOBUZTSGSA-N	248.410	4.603	0	10	BJAE	
CCC1CC([C@@H](O)c2ccc([C@H](C)CC)cc2)C1	1921168527	BSQZYNFDAUPIES-MIOCFURKSA-N	246.394	4.670	0	10	BJAE	
CCCC[C@](C)(CNCCC)C1CCCCC1	1924105229	ILVYTRJQQHJGEC-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@H]1CCCC2(CC2)C1	1925735820	GKDKLORFNSBGMN-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CC(C)NCCC(C)(C)C[C@H]1C=CCCCC1	1925889714	BYMYPHGMANOXCP-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)CC1(C)CCC1	1926200489	CHLZVKUYYBOGRU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1csc(Cl)c1	1933607290	IXBZVNQAJWWIHE-BXKDBHETSA-N	245.819	4.618	0	10	BJAE	
Clc1ccnc(-c2csc3ccccc23)c1	1938027148	JCMASURCIXEPRT-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CCC[C@@H]1CC1(C)C	1940875505	XUUPILCNMCZFLG-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@@H](CC(C)C)C(C)C	1941266676	INOAZBZQTDDVLF-HOTGVXAUSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@H](CC)C(C)C	1941273850	VUYDFMKFUAGTBV-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](O)(CCC2CCC2)C1	1941470044	KXMSOZZTQKXXMA-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)[C@H](C)CCC(C)C)CC1	1942652687	JQJWFIJERSQHHZ-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944204756	RTXCTYUEHZBGOW-ZVDSWSACSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)C(=O)[C@]12CCCC[C@H]1CCC2	1944233519	AQXJPPNJTMRCCG-BBRMVZONSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)NC1CCC2(CCC2)CC1	1944545624	HESPXPQIGVXSMM-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
Clc1ccccc1NC1CC(C2CCCC2)C1	1945957856	LIMLBTKKCNCSKP-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CCC(C)(C)C1CC1	1947523102	ISMVNYWPIFTYIY-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)c1csc(CC[C@H]2C=CCCC2)n1	1947562720	RKKPBRCMQHXYQR-LBPRGKRZSA-N	249.423	4.730	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C=CCCC1)C(C)C	1947586400	MLUMCPMOSJDZCW-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CC(C)(C)CC[C@@H]1C	1949047708	WEXBIXZBIUFWFM-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccc2sccc2c1	1950099918	JCQJWBGWLUNQMB-CYBMUJFWSA-N	245.391	4.892	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CCC[C@H](C)CC1	1950923479	ULLFWAZDFOUHIL-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@H]1CCC[C@@H](C)CC1	1950925250	RMWAEMGWFIBJJS-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC=CCCc1cc(C(C)(C)C)ccc1OCC	1951308411	GLELNVHBMWRESH-UHFFFAOYSA-N	246.394	4.892	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1cc(C)c(Cl)s1	1960263393	YYFDOFMWKHGQHO-PSASIEDQSA-N	245.819	4.536	0	10	BJAE	
CCCc1ccc(CN[C@H](C)C(CC)CC)cc1	1963209557	DNNKOWIGYBQINV-CQSZACIVSA-N	247.426	4.553	0	10	BJAE	
CCCCC1CC(Nc2ccc(C)c(C)c2)C1	1968255006	PVUBOUGKPXRSHW-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC1CCCCC1	1968507983	CEQMEXMRSWVQIC-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
C[C@H](NC1C[C@@H]2CCCCC[C@H]2C1)C1(C)CCC1	1973615527	WDUBMCRYTVYSJR-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H]1n1ccc2ccc(Cl)cc21	1982615615	IAZDNKAEEKANTB-GWCFXTLKSA-N	233.742	4.656	0	10	BJAE	
CC=CCCCC(=O)c1cccc(C)c1Cl	1984580865	QQSCKDYJCAMRBJ-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCCCCC[C@@H](C[C@H](C)C(C)C)NCC	1988225960	GVXDXZUMZKJYBR-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCC(=O)CC[C@H]1CCCC(C)(C)C1	1994027140	XOHPQNNNIVSDQE-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](CC)C1CCCCC1	1996588079	BXPCEMDKIMAWOT-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@@H]1CCC=CCCC1	2000002565	YYHVFVWOZMFFMT-ARFHVFGLSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)[C@H]1CCCC(C)(C)C1	2000104107	GRFNTMKKTVMHNV-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C)C1(CNC2CCC2)CCCCC1	2000663177	YYSFRXGTSJSIGL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CN[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003023070	WGFIZDSETUPQGA-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](O)CCCCCC2CC2)CC1	2003104310	SUHAJKDMQIIVLU-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC1CCC([C@H]2CCCCCCC[C@H]2O)CC1	2003120032	XNWSUMHQDZABST-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@@H]1CCC2(CC2)C1	2003208336	MLJVZKHBFSIZRT-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCC[C@H]2CC[C@@H]21	2004798136	WRITZBRRADACOC-FPMFFAJLSA-N	249.785	4.639	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccc(CF)cc1	2007025550	KRYYXYSTEBUISH-DZGCQCFKSA-N	235.346	4.537	0	10	BJAE	
OC1(C=C2CCCC2)CCCCCCCCC1	2007917511	PRRQJSAXTVHMRX-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@@]1(N)CCC[C@H](CCC)CC1	2009569384	OJNSYTXVAOCCHO-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H](CC)CC(C)C	2009619678	NSMBTMPMIVKDST-MYNUTGAYSA-N	239.447	4.783	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](CC)CC1)C(CC)CC	2010719103	UAZXTIZTHILLFW-CZUORRHYSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)CC[C@@]12CCC[C@H]1C2	2010969247	WFDCLTNGAGKACW-HRCADAONSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](C)[C@](CC)(CNC(C)(C)C)C(C)C	2012440346	PUGLSJOTWYXPIN-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@H](C)C(C)C)NCC	2015267849	BYNBEZZONUFUPS-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C[C@@H](C)C(C)C	2015276368	XQLLECZEJUVZJV-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C[C@H](O)C1CCCCCC1)C(C)C	2015285785	ZMINOCYDXWANFP-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)CCNCCC(C(C)C)C(C)C	2015356171	FENQJYNYSUBWBI-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@H](C)C(C)C	2015396641	FRMYQESOYUELNF-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCCC1CC(C(=O)CC2(C(C)C)CCC2)C1	2017124547	HCFDEFLQUSAUFN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C[C@@](C)(O)CC(C)(C)C)CC1	2017649513	WPUGXQONFILRAT-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(C[C@](CC)(CN)C(C)C)CC1	2017731449	RJVAGEKJYCMSTM-UYSNPLJNSA-N	239.447	4.604	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(F)c(C)c1	2018138917	MGMLDZNPBDPUPD-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
CCCCN([C@H](C)CC)[C@@H]1CCCC[C@@H]1CC	2019198870	JJLFHELSCFJLJH-OWCLPIDISA-N	239.447	4.856	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@H]1CC=C1CCC1	2023244245	CYGAUGIRJWWEOO-JKSUJKDBSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C[C@H]2C(=O)CCC[C@@H]2C)CC1	2024614810	ZBDQXWLHXJJATH-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)C1=CCCCCC1	2026166499	KFJMWHTYPAGRFV-GDBMZVCRSA-N	237.431	4.811	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)Cc1ccccc1C(C)C	2027498060	ANPGUXFKUVBVHV-PBHICJAKSA-N	247.426	4.506	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)c1ccoc1C	2027820515	ICJADYOPPBASBY-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
C[C@@H](C[C@H]1CC2CCC1CC2)c1ccc(N)cc1	2027947491	IWYKCXWEZOPFAJ-QTISTPMNSA-N	243.394	4.589	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@H](CC)C(C)C)cc1	2028231233	CKZIKDASQVVVAI-XKQJLSEDSA-N	248.410	4.916	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cccc(C2(C)CC2)c1	2028551689	IQMOUKOBPDQIIW-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CCCC(N)(CCC)c1cccc(C2CCC2)c1	2028557042	JWIPKKFTFUBGBS-UHFFFAOYSA-N	245.410	4.708	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1ccccc1C1CC1	2028557766	QFSISJVCEPBJRA-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
Fc1ccc2ccn(CC3CCC=CCC3)c2c1	2028869076	CWCZVPMNDIKXEN-UHFFFAOYSA-N	243.325	4.527	0	10	BJAE	
CCN[C@H](CCC1CC1)[C@@]12CCCC[C@@H]1CCC2	2031761514	URGWRWBTNQLDRX-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(C=Cc2ccccc2N)cc1	2031832807	VMPOIOWRGPYZIS-UHFFFAOYSA-N	237.346	4.563	0	10	BJAE	
CC(C)C(Nc1ccc(C2(C)CC2)cc1)C(C)C	2032245726	MDBUIROWTCDYJM-UHFFFAOYSA-N	245.410	4.831	0	10	BJAE	
CCN[C@H](c1ccc(CC)cc1)C(C)(C)C(C)C	2032345412	CPCFALBRNITHCI-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@H]1[C@H]2CCCC[C@H]21	2032819387	GTGFSNJCECDBJT-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@H]2CC[C@H](F)C2)Nc2ccccc21	2032946506	BXKHCNBXXBUPDZ-YIYPIFLZSA-N	247.357	4.503	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC1(C)C)c1ccccc1	2033558421	HIKGHXAMPHWXSA-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CCc2ccc([C@H](C)CC)cc2[C@@H](N)C1	2034172978	QOMNYOUFYGGYRV-XNJGSVPQSA-N	245.410	4.562	0	10	BJAE	
CC1(c2ccccc2NC[C@@H]2C=CCCC2)CC1	2035587458	DPRJNJVSJFOLOM-CQSZACIVSA-N	241.378	4.506	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	2036663397	CSBBVRCOWWQGTH-YLFCFFPRSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC2CC3(CC3)C2)CC1	2036723198	AGHPHCDIRAQSDB-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC1(C(=O)CC2CC3(CC3)C2)CCCC1	2036759911	CHZCJQXRMYVASN-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@H](n2ccnc2C2CCCC2)C1	2036775356	DMKGXYDSZOSTAQ-DZGCQCFKSA-N	246.398	4.682	0	10	BJAE	
C[C@H](C[C@@H]1CCCCN1)[C@@H]1CCC2(CCCC2)C1	2037695379	RQAUHMUFTFIEPH-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CC2CC3(CCC3)C2)C1	2038081287	QFUKDISLTMGNPP-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
N[C@H](CC[C@@H]1CC2CCC1CC2)CC1CCCC1	2038109813	JBUKFFAUHZJLNO-BHUNQDJPSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@@H]1[C@H]2CCCC[C@H]21)CC1CCCCC1	2038164135	BPOLIVHRWZDCHS-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@H]1CCC2(CC2)C1	2038569916	ZSRIZVRVETVCLO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NC1CC2(CCC(C)CC2)C1)C1CC1	2038941322	SROLWLVHIISOKH-XOJNLIDHSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@H]1CC12CCCCC2)C1CCCCC1	2040681810	WQXJXUJZVMGBRN-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
N[C@@]1(C2=CCCCC2)CCCC2(CCCCC2)C1	2040765213	NCNHKRHLLJQTHI-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1N[C@H](C)CC1=CCCCC1	2043187763	OGMGZBOABDVUES-HYVNUMGLSA-N	249.442	4.680	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@H]1CCC2(CC2)C1	2045307530	LLZXXWZQRRJXLY-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CC2CCC=CCC2)C1	2049491655	BHCWAOANKUPQNG-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)c1ccc(F)cc1	2050491287	DDXAXSHPSGEBKD-INIZCTEOSA-N	249.373	4.576	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)c2cccc(F)c2)C1	2050495989	ZXBYQIVEQVVULW-QWHCGFSZSA-N	248.341	4.615	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCCC[C@H]1C)c1ccco1	2050517360	ABZBLWWWMQHRET-QLFBSQMISA-N	249.398	4.537	0	10	BJAE	
CC1(CNCCCCC2CC2)CCC2(CC1)CC2	2056535337	AYTGIXKHHKLBJI-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1cc(C)cc(C(=O)CC2CC(C(C)C)C2)c1	2056675246	KOEXYYRBJKRKSZ-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
O[C@H](C=C1CCCCC1)[C@]12CCCC[C@H]1CCC2	2056863733	UWPLGRBTKJUZCF-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
CCC1(CC)CC(Nc2ccc(C3CC3)cc2)C1	2058828238	REHOGMPUZXLVEW-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1c(C)oc2ccccc12	2059223077	INCPDSZZEBVTGF-RDFMZFSFSA-N	244.334	4.521	0	10	BJAE	
C/C=C/CCC[C@]1(CNC)CCCCC12CCC2	2059258802	JRQOFDOTUREEGM-REMYHPOOSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@@H]1NCc2cc(C(C)C)ccc2[C@@H]1C	2059469358	IVLBRKGWURYVEK-GUYCJALGSA-N	245.410	4.576	0	10	BJAE	
CC1(C)CC=C([C@]2(O)CCCCC23CCC3)CC1	2061089630	VCQRKEVAJKEGMY-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(C2=CCC(C)(C)CC2)C1	2061112647	HZMFJJQFZOXXLM-GUYCJALGSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCC(C)(C)C[C@H]2C)CC1	2061114358	XTJHECVJAASXPN-CKEIUWERSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C(=O)CCC[C@]23CCC[C@H]2C3)cc1	2061596148	KMMVPBATQDNICR-RDJZCZTQSA-N	242.362	4.538	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC[C@]12CCC[C@H]1C2	2061606428	LMOVBPAQPNNUCC-DIECFANBSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1ccc([C@H](N)CCC[C@H]2C[C@H]2C)cc1	2062618972	HHJOUJNDUYBEFU-XOKHGSTOSA-N	245.410	4.636	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063501224	NIZYZXOKVDEMJB-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C=CCC2(CCC2)C1	2063662802	XLMBKYRGOOKRBJ-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](Nc1ccc(C)c(F)c1)c1occc1C	2063671520	LFYUEYFDRAPPEL-AWEZNQCLSA-N	247.313	4.599	0	10	BJAE	
CCC[C@](N)(CC12CCC(CC1)C2)C1CCCC1	2065340506	WTTBIWNTGGTJLX-PREGVCBESA-N	249.442	4.645	0	10	BJAE	
CCCC1(Cn2ccc3cc(C)ccc32)CCC1	2069278951	PMTPAMFKHJXKLG-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C[C@]1(C)C[C@@H]1C	2070954743	KECMDBKPUBOEGV-GUYCJALGSA-N	244.378	4.504	0	10	BJAE	
CN[C@H](CC[C@@H]1C[C@H]1C)c1cccc(C(C)C)c1	2072090767	KTVKQLSRBJHWQP-FRFSOERESA-N	245.410	4.507	0	10	BJAE	
CCCC1CCC(CN[C@@H](C)C2CC=CC2)CC1	2072681525	KANVJLAXHNUPTD-FHERZECASA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@@]23CCCC[C@@H]2CCC3)CC1	2072807951	BBOCXMJQTDHLMH-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)c2ccc(C)o2)CC1	2072880046	YPHRVSSOEYZDMN-HDJSIYSDSA-N	248.366	4.767	0	10	BJAE	
CC(C)NCC1(C[C@]23CCCC[C@H]2C3)CCCC1	2074030886	WAZKKYXAMFOSKX-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2Cc3ccccc3[C@@H]2C)C1	2074892387	NEPDJRCRPJDRAD-SQWLQELKSA-N	243.394	4.532	0	10	BJAE	
CCCCCCN(C)[C@@H]1CCCc2ccccc21	2075084565	OGHAFFXGYNLRDB-QGZVFWFLSA-N	245.410	4.576	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCC=CCCC2)[C@@H]1N	2076392140	FILBLRADTVLSSJ-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc(C)c1NC[C@H]1C[C@H]1C1CCCC1	2079623459	GWIGZWKXHZQELI-CVEARBPZSA-N	243.394	4.542	0	10	BJAE	
N[C@@H]1CCCCC[C@@H]1C[C@@H]1C[C@@H]1C1CCCCC1	2079672918	ZINGEKZNAUVCFI-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@@H]1C[C@@H]1C1CCCC1	2079833688	WSCUPIQDYWOLLK-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC1[C@H]2CCCCC[C@H]12	2081787362	VBKNQFWXRNGEOZ-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C2[C@H]3CCCC[C@H]23)C1	2082986138	LAHGIIMTRVHQPI-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@@H]2C(=O)C3(CCCCCC3)[C@H]21	2083254075	WFXXKYLRJODCBG-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(CC2CCC3(CC2)CC3)C1	2085303727	QFWNEZHUOHJERU-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CCC1(COc2cc(C)cc(Cl)c2)CCC1	2212535910	SHGWPCYGWJBZQC-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCCCC1CC1	2214550801	BPPWPHNOXLOLJW-HNNXBMFYSA-N	238.415	4.988	0	10	BJAE	
CCCC1([C@@H](CCCCC2CC2)NC)CCC1	2214565964	RFIAODIPWMUSOY-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCCc1cccc(C(F)(F)F)c1C	2214851948	RCXCJHVSLAUMIP-UHFFFAOYSA-N	242.284	4.913	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)[C@H](C)CCC(C)C)CC1	2215824921	YSANWRYCAFRHGO-GDBMZVCRSA-N	236.399	4.764	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCCCC(F)F	2216500684	QKGSKVBBZGDUJM-LBPRGKRZSA-N	248.357	4.843	0	10	BJAE	
CC[C@@](C)(CNC1CCC1)CC1CCCCC1	2217142867	XYDWNEOMKPCNCL-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN(CCC2CCCC2)C1	2218144972	XEMVUWBVGNVFFU-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@]1(N)CCCCC12CCCCC2	2220853162	QEEKPQAWWWHFLH-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCC1CCCC1)C1(C)CC2(CCC2)C1	2221002671	LATMRSREQPHRSN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2(C)CC3(CCC3)C2)C1	2221037739	DYHKVOGJCUULSN-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@@]1(C)CC=C(C)CC1	2221634219	YAWALXHQDNYDRZ-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@](N)(CCC(C)C)c1c(C)cc(C)cc1C	2222006648	NDNSZMMZAKKVCK-QGZVFWFLSA-N	247.426	4.612	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@]12CCC[C@H]1C2	2223112475	FFDKWGFNAPQSHK-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@]2(C(=O)CCCCCCCC3CC3)C[C@@H]12	2223140393	QIALPWHUGHEESW-KMFMINBZSA-N	248.410	4.742	0	10	BJAE	
CCCCc1ccc([C@H](CC)NCCC)s1	2242598642	HKWNPBUHYVYSAO-ZDUSSCGKSA-N	239.428	4.541	0	10	BJAE	
CCCCc1ccc([C@H](O)[C@@H](C)CCC)s1	2242605552	ZQRUMRVCDBSGPU-SMDDNHRTSA-N	240.412	4.560	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H](CC)CCC	2244774073	FGHQYAIUFJCSQJ-KGLIPLIRSA-N	226.404	4.988	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCC2(O)CC(C)(C)C2)C1	2246729207	SEGQUDRKIJSRPE-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC1(CNc2cccc(C(C)(C)C)c2)CCC1	2249313941	WFAZMSDEHWMJBB-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1CCCC(C)(C)C1	2250360387	WZCOCGRJNWBCGF-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CC(C)[C@H](C)C(=O)CC1CC(CC(C)(C)C)C1	2251587506	GXOZWNSYHQGVRQ-HSBZDZAISA-N	238.415	4.700	0	10	BJAE	
Cc1cccc2c1N[C@@H](CC[C@H]1CC1(C)C)CC2	2253869591	JHBRJXJGFLYGIZ-LSDHHAIUSA-N	243.394	4.548	0	10	BJAE	
Cc1coc(C)c1[C@H](N)CC[C@H]1CCC[C@@H](C)C1	2253922135	WYDZKBZJEOPNQK-KCPJHIHWSA-N	249.398	4.503	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)C[C@H]3CCC[C@H]2C3)C1	2253995073	INBQWLMTOVXWCA-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@@H](C)C1)[C@@H]1CC=CCC1	2254018649	DZBBSKSUTAIGFO-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NCC2CC3(CCCC3)C2)cc1F	2254085169	ZSNVBTHVMSXFQO-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
Cc1cc(C)cc(C(=O)CCCC[C@H]2C[C@@H]2C)c1	2254592986	OQQXHRMNEKZKCD-GJZGRUSLSA-N	244.378	4.703	0	10	BJAE	
C[C@H]1C[C@H]1CCCCN1CCCCC12CCCC2	2254608390	KACVAVXSRXISLT-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)CC[C@@H]1CCCC12CC2	2255251026	ZWNPYSGQHKOVQG-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)CCC1CCCC1)C2	2259572858	YHDYIISOIKIWNO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@]23CCCC[C@H]2CC3)C1	2260514678	BYIQSDUUZITTQI-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
C(CCCC1CC1)CCN[C@@]12CCCC[C@H]1CC2	2260558459	ZYCZUMPOIGEKDP-DLBZAZTESA-N	249.442	4.659	0	10	BJAE	
CCCC1([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)CCC1	2260623408	NGTQJHLLEYPJFR-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@H](N)[C@H]2C=CCCC2)C1	2261128768	RPSBJXYWERMIKJ-SSHXOBKSSA-N	249.442	4.523	0	10	BJAE	
C[C@H](CC1CC1)[C@@H]1CCCCCCCC[C@@H]1O	2298917882	ULJZDUNJHNVEPF-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCCCC12CC2	2300699564	GQCLVMLFNNUUCE-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC=CC[C@@H](NCC)C1(CC(C)C)CCCC1	2300897798	XIGIQOUBKZXBQB-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)NC[C@@H](C)[C@@H](C)CC1CCCCCC1	2301185392	JJYJIAXMFAOUFP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C)[C@@H](CCCC1=CCCCC1)C(C)C	2302327350	YCMLCSOGCDSAPK-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CCCC2=CCCCC2)C1	2302360143	ZATQJTDZXUPDDE-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
O[C@H]1CCCCC[C@H]1CCCC1=CCCCC1	2302361208	JYPNIUXNOMCWAE-HOTGVXAUSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](O)CCCCCC1CC1	2302607787	CDIYSPKVYMISFH-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)=C(C)C1)C(C)(C)C	2303580030	QOSREHVOFDRIES-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC[C@@H]1CCC(C)(C)C1	2304352256	PSILCKFWPHGMRO-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@H](CC[C@@H]1CCC(C)(C)C1)NC	2304438529	XFOGVVHDJFFOND-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CCC[C@H]1C)c1ccccc1	2308960895	ANEKPHQZVXFAHX-YCPHGPKFSA-N	244.378	4.576	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1C[C@H]1C(C)C	2315877434	HUNYVHCDQMPUKV-CVEARBPZSA-N	245.410	4.822	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC2CC2)CCC[C@H](C)C1	2316489126	DDJCTJNLXUHYTE-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316790577	JKNIGTGEZXJMRU-UGUYLWEFSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C1=O	2317007225	LSYSOASEUKVSDJ-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CC1CC(CC(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2317009060	VNSYKRRPGJSTIA-NQBOGQKCSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CCCC1=CCCCC1	2318551042	LWPJRTVSOCTEQL-SJORKVTESA-N	249.442	4.955	0	10	BJAE	
CCCC1CC(N(C)CCCC2=CCCCC2)C1	2318585900	BZHIJFXHNQGZDB-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2(C)CC3(CCC3)C2)C1	2319287655	YUTABEPBOGWFRI-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CC[C@@H]2C(C)(C)C)c(C)o1	2320310008	GZMFPIAEFGRIOQ-JSGCOSHPSA-N	248.366	4.542	0	10	BJAE	
CCC1(C)CC([C@H](N)C[C@H]2CCC(C)=C(C)C2)C1	2320415840	DVXWRPXXZNZQRO-ORBLRFAASA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@H](C)[C@@H](C)C(C)C)c1	2320526129	WFNFPTMQSUAJHK-JJRVBVJISA-N	247.426	4.738	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCCC3(CC3)C2)c1	2321090780	CLFWTYRWHSQRRT-AWEZNQCLSA-N	247.357	4.523	0	10	BJAE	
CC1(C)CC[C@H](CC[C@](C)(N)[C@@H]2CC23CCC3)C1	2321603492	SIAYRLKFNRINIT-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@](C)(N)C2CC3(CC3)C2)C1	2321631195	NVEWDNQHTREVPT-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)C[C@H](C)C2CC2)c1	2327677219	GPUJRHFOYSAFDS-GUYCJALGSA-N	246.394	4.588	0	10	BJAE	
CCCCCCc1ccc([C@H](C)C[C@@H](C)O)cc1	2327894700	VPXSOQKHLXUUGJ-HUUCEWRRSA-N	248.410	4.684	0	10	BJAE	
CCC[C@@H](C)N[C@H](C)c1ccc(C(C)C)cc1	20545018	ZUZRVTDJPRDRGP-ZIAGYGMSSA-N	233.399	4.649	0	10	BJAE	
CCCC[C@@H](O)c1ccc(C2CCCCC2)cc1	36171588	PGZOELZRZDLJFH-QGZVFWFLSA-N	246.394	4.958	0	10	BJAE	
CCCC(CCC)Nc1cnc2ccccc2c1	36989981	MAROMTQOVYSNQA-UHFFFAOYSA-N	242.366	4.616	0	10	BJAE	
CC[C@@H](Nc1ccc(C(F)(F)F)cc1)C(C)C	37199208	MYROVWOBHLMIKG-GFCCVEGCSA-N	245.288	4.552	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)c1cccc(Cl)c1	50400304	KODAWPBHEOXKLL-BXUZGUMPSA-N	239.790	4.569	0	10	BJAE	
Cc1cc(C)c(C)c(CNc2ccccc2)c1C	57529923	YUTXUVQWTFAHBR-UHFFFAOYSA-N	239.362	4.532	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](CC)CCCC	68985774	BVWBKXPEINRXDQ-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)Nc1cccc(Cl)c1F	68986035	FXZGKBQNCBXFEH-JTQLQIEISA-N	243.753	4.860	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H](c1ccccc1)C(C)C	70106296	POUATTBHZZNKML-IRXDYDNUSA-N	245.410	4.552	0	10	BJAE	
CCCCCCNCCC/C=C/c1ccccc1	76286224	VNJZXHSQDNHETA-NTEUORMPSA-N	245.410	4.650	0	10	BJAE	
Cc1sc(-c2ccc(C(C)C)cc2)cc1C=O	77093688	QRUMTIKZHRYBBM-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Oc1cccc(Cl)c1	85150576	CAGVCXJCHZPDCJ-FZMZJTMJSA-N	238.758	4.688	0	10	BJAE	
CCCCCCC(=O)C1CCC(C(C)C)CC1	87960267	SMQGJHSFJWTTPN-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)C[C@H](C)Nc1snc2ccccc12	90869244	DFDPQMMCCWRWLY-QWRGUYRKSA-N	248.395	4.533	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCCCC2(C)C)c(C)c1	94278350	UENYHTDWQBGZPO-HNNXBMFYSA-N	245.410	4.993	0	10	BJAE	
CCCCc1ccc(N[C@@H](C)c2ccoc2)cc1	94867664	KAJAKAYFXXOOPI-ZDUSSCGKSA-N	243.350	4.795	0	10	BJAE	
CC(C)(C)CC[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	103937276	UEMIMDMAZKOTPA-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCC[C@@H]1NCCC	103947425	VZZTUWMLRQDWIT-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C)c2nc(Cl)c(C(C)(C)C)cc12	109607168	MTDRDMAHCNKNRW-UHFFFAOYSA-N	247.769	4.803	0	10	BJAE	
CCCCC[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1O	110463806	HQGFRDWBCZPMLW-ZACQAIPSSA-N	246.394	4.512	0	10	BJAE	
CC(C)C[C@H](N[C@H](C)C(C)(C)C)c1ccccc1	122559116	JJEVYIJODMJBLN-ZBFHGGJFSA-N	247.426	4.798	0	10	BJAE	
CC(C)[C@@H](N[C@H]1CCC(C)(C)C1)c1ccccc1	124971801	DLPYBCZRDAQDID-JKSUJKDBSA-N	245.410	4.552	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@H](C)CC(CC)CC	128642795	IAUZGDLACZWEPJ-RHSMWYFYSA-N	247.426	4.800	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@@H]1CCC[C@@H](CC)C1	148412744	PQDIOOQSVDZWBE-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@@H]1CCCC(C)(C)C1	149577006	XKCRYKPKPYUYPW-QLFBSQMISA-N	239.447	4.760	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(O)CC1CCCCC1	156151567	SPRKJWPQSDVWBR-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1CCC1)NCCC	167096083	VFXFPQAAUQCBJC-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
Cc1sc2c(Cl)cccc2c1Cl	201645822	WOGHWJOEKQKCNR-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
Clc1sc2cccc(Cl)c2c1Cl	223168058	HNGDVHNQWODBPS-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
Cc1cc([C@H](C)Nc2c(C)cccc2F)c(C)o1	224963110	VCJVAICUGZTMCB-NSHDSACASA-N	247.313	4.517	0	10	BJAE	
CC1(C)[C@H](O)[C@@H]2CCCCCCCCCC[C@H]21	227346455	HPYZGZBIZRWWQQ-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccc(C(=O)C2(C)CCCCC2)cc1	232780562	UTIDGHMYLLALJZ-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCCC1CCC([C@H](N)[C@@H](C)CCC)CC1	232928670	DYSGYPADZITNRK-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1ccccc1C(C)(C)C	233289627	DKMXCXIVSRNGFU-CZUORRHYSA-N	247.426	4.681	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@H](C)c1ccccc1	233524663	DDVYFARBGGAKCH-PBHICJAKSA-N	247.426	4.595	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1	251289143	VADCFTVTIYEFOT-HYVNUMGLSA-N	245.410	4.868	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CCC[C@H]2C)cc1	251308986	DFVQCFGAJIUVBP-ZENOOKHLSA-N	231.383	4.801	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)C1CCCCCCC1	302254726	ARWMZMJOYPGEQP-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)c1ccco1	302276630	IIQZRSLTHLUWPC-CYBMUJFWSA-N	237.387	4.537	0	10	BJAE	
Cc1ccccc1[C@](C)(N)CCC1CCCCC1	305895193	DQSDFOKAZBCSFX-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CSc1csc2cc(S)cc(Cl)c12	306594349	XIOIZYSJYHDDBC-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccsc1Cl	307326196	IUNRFEDOVXXHJB-QMMMGPOBSA-N	231.792	4.638	0	10	BJAE	
CCCNC[C@](C)(CC)C[C@@H]1CCC[C@H](C)C1	310125109	IXXJKGLWUWHKGT-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CC2(C)CCCC2)C1	310446916	XFEBVFLEAVQPAA-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)[C@H](CC1CCC(C)CC1)NCC	310523997	OGZPPUSSQHJKPO-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1)C(C(C)C)C(C)C	310884308	VUOZLZNLKNECQJ-KRWDZBQOSA-N	247.426	4.574	0	10	BJAE	
CCCCc1ccc([C@@H](O)C2(CCC)CC2)cc1	310916752	IVCKGHUITUZYRY-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CCC1(C[C@H]2C[C@@H](C)Nc3ccccc32)CCC1	311024949	ZVTPNCBOCCAFTJ-ZIAGYGMSSA-N	243.394	4.945	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)CC1(C)CCCC1	380009675	KPARYGPDXHNRBH-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)NC[C@H](C)CCC1CCC(C)(C)CC1	380030794	GIQSPNYLCGZRKS-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC1CCC(C)(C)CC1	383711973	UFYILXPJPMNHPI-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CC1(CCN[C@H]2CCCCC2(C)C)CCCC1	383773468	NSBDVELPIOBKRD-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@H]1CCCC[C@@H]1C	384503081	DCIXSBOEINBFSS-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc([C@H](N)CCC2=CCCCC2)cc1	384927066	HQNHGFAMPWMHPR-QGZVFWFLSA-N	243.394	4.529	0	10	BJAE	
CC1(C[C@@H]2CCCC[C@@H]2CNC2CC2)CCCC1	385582707	AUZDZSPIGCJOBX-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@H]1CC(C)C)c1ccccc1	385845840	ORTLPJQSYGDAIT-IKGGRYGDSA-N	245.410	4.552	0	10	BJAE	
Cc1cscc1N[C@H]1CCCC(C)(C)CC1	387371012	WOFCNIKWSGLGLM-LBPRGKRZSA-N	237.412	4.827	0	10	BJAE	
Cc1cscc1N[C@H](c1ccccc1)C(C)C	387378562	XZUNJJBHUOJCBY-HNNXBMFYSA-N	245.391	4.866	0	10	BJAE	
CC[C@H](Nc1ccc(SC)cc1)C1CCCC1	387444346	LIYYGAZJHVOBKS-HNNXBMFYSA-N	249.423	4.789	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](CC)C1CCCC1	387560424	XMBWFGJJZMQQOZ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@@H]1C[C@@H]1CC	387694669	YGPZHIIMICYYLX-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@@H]1C[C@@H]1CC	387797099	GRJXKWFAHXXKEG-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H]1CCCC(F)(F)C1	390574343	CBKFIXJXVHBCAM-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
Cc1cccc(OC[C@@H]2CCC[C@H](C)C2)c1C	394458172	LGRFIEUUAFWIEY-SWLSCSKDSA-N	232.367	4.509	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCC[C@@H](C)CC1	394859452	KOCYLRNNNATOJZ-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@@H](C)CC(C)C	395154515	GTSYYWUBKKSPNB-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
CCOc1c(Cl)cc(CC)c2ccsc12	396196032	WXFYMZHDGYOYRY-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1ccc(C)c2scc(C(F)F)c12	396244805	OMKDHCMFIRQKJJ-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCN[C@H](CC1=CCCC1)C[C@H](C)C(C)(C)C	401086105	RETFPYVJKCWARZ-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1cc(F)ccc1C	401835593	NSLBXVALYXHQGM-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CC1(C)CC[C@@H]1Nc1ccc2c(c1)CCCCC2	404626306	CTHDHWTYFGTOKG-INIZCTEOSA-N	243.394	4.556	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)C(C)(C)C	686247297	RSOFYUMPSGVKAB-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@@H]1CCC[C@H]1C	688927358	QRNMAFOTLFGESR-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1CC[C@H]1Nc1cccc(-c2ccccc2)c1	689639984	OOODFTNVFRGQAX-SUMWQHHRSA-N	237.346	4.564	0	10	BJAE	
CCc1ccc(NCCCC(C)C)cc1Cl	691202832	IPYCPJWVBGAMEN-UHFFFAOYSA-N	239.790	4.751	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1N[C@H]1CCC12CCCC2	693792261	DEOYDIZOEMLADT-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC(C)(C)CC(F)F	694087642	NLDSFMLKWHKNGR-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
CCC1CCC([C@@H](CC(C)(C)CC)NC)CC1	696248103	HNGAUKYJBKFHAW-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)CCC1CCCCC1	696577322	XSSAPZLNAFIUAN-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)CC[C@H](CNC(C)(C)C)C(C)C	696677337	JDGLQUYFUGOCCO-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@H](CNC)c1ccc(C)cc1	696684649	ACLFTYBJTQCRKS-MRXNPFEDSA-N	247.426	4.514	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H](CCC(C)(C)CC)C1	696800173	SXZBBOFTYCMWND-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1cccc(C)c1C	697767580	OFIJOTRTPMKOPI-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@H](C)CC(C)C)cc1	704756537	VEEMTVZVSBZHRW-JJRVBVJISA-N	247.426	4.882	0	10	BJAE	
C[C@H](N[C@@H]1CCCC(C)(C)C1)[C@@]12CCCC[C@H]1C2	709155236	SECRPXICOQUZBG-MPTYRVRUSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@@H](C)C(C)(C)C	711185726	XEYSOSIPLQQCHO-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@H](CNC(C)C)C1CCCC1	713249662	FYDQNORQIULVDT-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCC(C)=C(C)C	718507068	NCKXINKXUQKVBD-HZPDHXFCSA-N	239.447	4.913	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@@H]1CCCCCC1(C)C	719221942	VGINJOWFSCKELA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NC[C@H]1C(C)=CCC[C@@H]1C)C1CCC1	1462342292	LSLVFNHRONZOFU-XIRDDKMYSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CNC[C@H]2C(C)=CCC[C@@H]2C)CCC1	1474068982	FXXOKOWATGXBQF-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CCCCCN(C)[C@H](C)c1cccc(Cl)c1	1559489651	AJWCJOSROFMKTG-GFCCVEGCSA-N	239.790	4.523	0	10	BJAE	
CC(C)C[C@H](C)SCC1CCCCC1	1651780323	GIXCKAQOLIDBGL-LBPRGKRZSA-N	214.418	4.735	0	10	BJAE	
Cc1ccc(F)cc1CSCc1ccccc1	1656186737	GGBJUFCHKKCFFU-UHFFFAOYSA-N	246.350	4.568	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@H]1CCC(C)=C(C)C1	1902840707	GMFKIHMMXRASKR-OCCSQVGLSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)CC(=O)CCC[C@@H]1C[C@@H]1C	1905391574	QHDRMJIAFGJJEW-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2C[C@H]2CCC)C1	1910818079	VDEWIOGTCUGCMT-FYRZTWFESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CCCCCC2CC2)[C@H](C)C1	1916058341	NAKLGZWCCACCMD-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)c1cccc(C2CC2)c1	1919973710	IYHCDQSICKUVJH-CXAGYDPISA-N	246.394	4.598	0	10	BJAE	
c1ccc(CNc2ccc(-c3ccco3)cc2)cc1	1923713355	JZVLHRJGAHBIRS-UHFFFAOYSA-N	249.313	4.559	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@@H]1C=CCCCC1	1925886235	CBKDBDNSQGNJAA-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC(C)C)C[C@H]1C=CCCCC1	1925916109	RYQWXDVWNSFHEP-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@@H]1C=CCCCC1	1925919415	DNHDVQZYGKVHRV-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1CCC[C@H](C)C1	1926213324	SKRDJKSNPUWPID-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CCC)CC1(C)CCCCC1	1935619479	BOMPTOQPLVRGRJ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
Cc1cc(Cl)cc(C[C@@H]2C=CCCCC2)c1	1939711649	VFGMGVJNIYSLAZ-CYBMUJFWSA-N	234.770	4.937	0	10	BJAE	
CN[C@@H]1CCCC[C@@H](CC2(C)CCCCC2)C1	1940405206	BIEPKFZUJVUVKR-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(C[C@H](N)CC(C)(C)C2CC2)CCCCC1	1940417584	XDGOWADFUPEAHY-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1CC1(C)C)C(CC)CC	1940873502	RBPHASDBVHVFFX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](CCCC1(C)CC1)NC	1940880571	BBTHHZRTUOMDRD-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@@H](CC(C)C)C(C)C	1941266685	IRZVOLYXLBIJHB-JYJNAYRXSA-N	241.463	4.719	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CC2CCC=CCC2)C1	1941792871	KHWCAZMHUCJLEE-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)CCCN[C@]12CCCC[C@@H]1CCC2	1944188543	DNABNCLVOGHDDS-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCNC[C@]1(CC(C)(C)CC)CCCC1(C)C	1944479345	BBMFXHBYYYJWCS-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CCC[C@H]1C)CC(C)C	1944848789	HPTXXAXNZCASBK-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H]1CCC(C)(C)C1)CC(C)(C)C	1945583803	CJKCDGZFDIEURI-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cc(C)cc(C)c1	1947460825	LJSNJHNVSZQURG-GDBMZVCRSA-N	231.383	4.684	0	10	BJAE	
CCSc1cccc(NC[C@H]2C=CCCC2)c1	1947589568	XDUCAWNJMCDOSB-ZDUSSCGKSA-N	247.407	4.567	0	10	BJAE	
CCCCC[C@@H](CC1CC2(CC2)C1)NCCC	1948683316	BVWFIFJWWVVAIM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@]2(N)CCCCCC2(C)C)CCC1	1948983721	GVJOUAVDEVJKSL-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCC1([C@H](N)c2ccc(C3CC3)s2)CCC1	1949050691	HCEVYBPKMJNHOZ-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@@H](N)CCCCCC1CC1	1949080430	QDHYZGNBKVFMCN-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(CO)CCCC(C)(C)CC1	1950909681	ZEIXBXYPPMJTCU-OFQRWUPVSA-N	240.431	4.638	0	10	BJAE	
CCC(CC)C[C@H](O)[C@@H]1CCCC(C)(C)CC1	1950913296	GCYUNEUQZHDYRB-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CCC2CCC2)CC1	1950916777	BUOTYYXHFMWIAL-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCCc1ccc(-c2cc(C=O)cs2)cc1	1951242407	SNIADHSFFJHUMT-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
C/C=C/CN(C1CCCCC1)C1CCCCC1	1962720201	GJIYNVPAEKCKKV-NSCUHMNNSA-N	235.415	4.530	0	10	BJAE	
CC1(CCNC(C2CCCC2)C2CCCC2)CC1	1962979369	YOIDMEFKZPHFRA-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](C)COc1ccc(C(C)(C)C)cc1	1968299107	OZQWBEVRVLMYPM-CYBMUJFWSA-N	234.383	4.655	0	10	BJAE	
CCC(C)(C)CCNc1ccc2sncc2c1	1969661929	PPHWPMZSFRQQQU-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCc1cc(N[C@@H](C)CCC2CC2)ccc1C	1969681913	XWKLEWMIAVKUHM-ZDUSSCGKSA-N	231.383	4.548	0	10	BJAE	
CCC[C@@H]1CCCN([C@H]2CCC3(CCCC3)C2)C1	1970705354	PIAYUQVLRKAJKD-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC1(C)C[C@H]1c1nc(C2CCCCC2)cs1	1972625027	CXPPLMCWJNPQTG-NSHDSACASA-N	235.396	4.704	0	10	BJAE	
CC[C@H](NC1CC(C)(CC)C1)c1cccc(C)c1	1973591640	UEBQXPGKLHXBAO-CGZBRXJRSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C)c1ccsc1	1986948601	PSTMNHUFCJECND-JSGCOSHPSA-N	239.428	4.614	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1cc(C(F)F)cs1	1988302312	ZQYLXWYGQLVJRU-MRVPVSSYSA-N	246.322	4.551	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@@H](C)C(C)C	1988309573	MCZJQWHULDTVHG-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cc(C)cc(C)c1	1989818364	HFPOWHBJNDFMAS-ZDUSSCGKSA-N	219.372	4.540	0	10	BJAE	
CCCCC[C@H](CC)NC(CCC)CCC	1990045634	SQIZWBPOHWTLDS-AWEZNQCLSA-N	227.436	4.904	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](CCC)C1CC1	1990089653	LLDYGXIUAMBUIL-GJZGRUSLSA-N	225.420	4.514	0	10	BJAE	
CCCCCCN(C)[C@H](CC)CCC(C)C	1990800902	BWLVRNDLQQNFJG-OAHLLOKOSA-N	227.436	4.713	0	10	BJAE	
Fc1cc(C[C@H]2C=CCCC2)cc(F)c1Cl	1993615566	QMJFEMWDEOOENS-VIFPVBQESA-N	242.696	4.517	0	10	BJAE	
Fc1c(Cl)cccc1C[C@H]1C=CCCCC1	1994346571	SNOYXBCFWLONFT-NSHDSACASA-N	238.733	4.768	0	10	BJAE	
CC[C@H](NC[C@]1(C)CC=CCC1)c1cccs1	1997581173	KKHWFSFJOLDGMW-DZGCQCFKSA-N	249.423	4.535	0	10	BJAE	
CCC(CC)CCN[C@H](C)CC1=CCCCC1	1998378912	ZESPWLRZMYPSMQ-CQSZACIVSA-N	237.431	4.681	0	10	BJAE	
CCC1CCC([C@](C)(O)CCCC2CC2)CC1	2002930670	XOVHZVKDBSBZSJ-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CCCC2(C)CC2)C1	2002975001	VQBKBMRKXUQCCY-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CC2(C)CCCC2)C1	2002997853	GWEAJWNMMMQRMY-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H]3CC[C@H]32)cc1Cl	2004797164	JHHFSUVHKSXEMP-UXIGCNINSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@H](CCCCCCC(C)C)C(F)F	2008307640	ISYPIKJHWKVHBL-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)CCC(F)F	2008583460	SVDCFZAKZCOWSY-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@]1(C)C=CCCC1	2013265995	BPBFQFBJGUCATE-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](O)(CC)CCC(C)C)C1	2013270200	GJVBQWHATUNUEC-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](C)c1cc(C2=CC[C@H](C)CC2)cs1	2013608216	RSRCGBVGDURFBF-NWDGAFQWSA-N	249.423	4.622	0	10	BJAE	
CC1CCC(C[C@](C)(N)C2(C)CCCC2)CC1	2014337601	DTWUQCYRUJQXEI-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CCC[C@H](C)C2)CCC1	2015638944	AQSFCTBVFWAPGN-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@H](CC)NC)CC1	2017733449	KIUUZBUZDVQPGZ-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H](C)C(C)(C)C)CC1	2017778062	XAIFWKKKXONRTO-IYXRBSQSSA-N	238.415	4.844	0	10	BJAE	
CCC[C@](N)(C[C@@]12CCCC[C@H]1C2)C(C)(C)C	2018571741	UQWMQMGHQSVQIG-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CN(CC)[C@@H](C)CC)CC1	2019451111	PJYQEYLPNYRXCA-FHERZECASA-N	239.447	4.713	0	10	BJAE	
Cc1cc(C)c(-c2cc(=S)c(C)c[nH]2)cc1C	2023460343	OIZWJQQZYBUWDB-UHFFFAOYSA-N	243.375	4.645	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CC(C)(C)C1(C)C	2025021836	VJVZXHQCJIVMAL-CHWSQXEVSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1cccc(C)c1	2026082144	ODBCKCAHJHGMQI-ZDUSSCGKSA-N	232.367	4.784	0	10	BJAE	
CCc1ccccc1C(=O)[C@H](CC(C)C)C(C)C	2028255350	PIBRFXOFCDUMEH-MRXNPFEDSA-N	246.394	4.750	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1)[C@@H](CC)C(C)C	2028261991	ITMLLQXLKLCJER-IRXDYDNUSA-N	247.426	4.718	0	10	BJAE	
c1cc(C2CC2)ccc1NCCCCCC1CC1	2028626498	UMONQGDGBPGFHA-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CC1(C[C@H](O)c2ccccc2C2CCC2)CCC1	2029076335	YLRDQYPCTMSCGE-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CN[C@H](CC1(C)CCC1)[C@@]12CCCC[C@H]1CCC2	2031754107	GZLBHLZWPBKWDV-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2C=CCCC2)CCCC1(C)C	2032107325	WKZHSSAVHWDTKM-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@@H]1CC1(C)C	2032431991	YUJRSWALRKCQDX-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC1(N)CCC(C2CCC2)CC1	2032504394	ATELYWLZIHUQKB-CRYBEJKASA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC[C@@H]2C)CCC=CCCC1	2032504772	DASKJMGZJNRPPU-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CC2CC(F)C2)cc1	2033339819	MZCQPNLKLGGFIS-BZUNDVKYSA-N	248.341	4.521	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)C1	2035866691	ZKWCZRTURLWOSR-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)NC[C@]1(CC2CCCC2)CC12CCCC2	2036101800	VBAQTGQIASYYKG-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1CC12CCCC2	2039091111	HEXCHJIMNMLSCX-AWEZNQCLSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CC12CCC(CC1)C2	2039353211	CWFSVRUKMMDUNV-ILZRDFNYSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1cccc(C)c1C	2039447870	QBOQXZNNYDQSDW-HOCLYGCPSA-N	243.394	4.708	0	10	BJAE	
CCCC[C@@H](C)NCC1CC2(C1)CC1(CCC1)C2	2039457447	HMMGYEPLYYIHAF-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@](N)(CCC1=CCCCC1)C12CCC(CC1)C2	2039845831	GIAQQYAIEHRRMG-AQFXKWCLSA-N	247.426	4.565	0	10	BJAE	
CC1CCC([C@H](C)N[C@@H]2CCC23CCCC3)CC1	2040639244	SJQAWJSRAHRDDF-BHDPWAOGSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@@H]1C[C@]12CCCC1(CCCCC1)C2	2040765844	WJMQPAIXDQMUKO-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042350506	OWUSPIBVNBDEDZ-KSWRQPAISA-N	249.442	4.536	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)[C@H]1C=CCCC1	2043185881	AIUYOCVGFLBVDD-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@H](C)C1CC2(CCC2)C1)C1CCCCC1	2043548440	YLBIUZPBUQRKAC-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C)c1ccc(C)c(C2=CCCCC2)c1	2043821735	TVWGNJAPGZMVQF-CQSZACIVSA-N	243.394	4.623	0	10	BJAE	
Cc1ccc([C@@H](O)[C@@H]2CCCC(C)(C)C2)cc1C	2045364932	HDXGFVCFCACEGR-HZPDHXFCSA-N	246.394	4.553	0	10	BJAE	
C=CC=CCCC(=O)[C@H](c1ccccc1)C(C)C	2045673842	OCGXQXAYTQRXAZ-KRWDZBQOSA-N	242.362	4.518	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@H]1C(C)=CCC[C@H]1C	2045746948	KVXSHJUZISLSDB-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CN(CCCC1(C)CC1)C1CC2(CCCCC2)C1	2046326417	FLKBXAWDMKPJLT-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)C1CC([C@]2(N)CCCC23CCCC3)C1	2048610761	MVYPZISBZIWXHO-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C[C@@H](N)CC1CCC2(CC1)CC2)C1CC1	2049864756	KMPNVZHCHBYQNE-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)C1(C2CCC2)CC1)C1CCCCC1	2051904056	AIAMOFAFUXOUIE-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)C[C@@H]1CCC2(CC2)C1	2053405148	VTDVQIVQQMGWRZ-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@H]2C=CCCC2)[C@@H]1C	2055616819	UJUZULFVSJNADL-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NC)c1ccc(C2CC2)cc1	2059225488	NSGZGMWENGGWCL-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)CC[C@@]12CCC[C@@H]1C2	2061603147	RMDWVBMGKBFNTJ-SJKOYZFVSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C1CC(=C2CC2)C1	2061651442	XRPKIXJPWHOGDB-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1CC(=C2CCC2)C1)[C@H](C)CC(C)C	2061734606	OZCOAGFYLTWXFG-DYVFJYSZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(CC23CCC(CC2)CC3)C1	2065327443	MDDARRHDYRHYFB-VXLLPVPCSA-N	249.442	4.502	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCC[C@H]2C1)C1(C)CCCC1	2067519086	CMEMXPJUNBHYMG-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2C[C@@H]3CC[C@H]3C2)CC1	2068771402	OITIGYKUVFUQQK-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CC23CCCCC3)CCC1	2069282502	KXRKLGJWWDTUES-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCC1([C@@H](NCC)c2cc(C)c(C)o2)CCC1	2069336738	CYMHMEKXDXVKNG-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CCCC1(C[C@H](NC)C2CC3(CCC3)C2)CCC1	2069339442	JFHWYUZBMOHHAA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1[C@H]2CCCCC[C@H]12	2070400686	XHWJCBZVQWOGLJ-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@H](NCCC)C1(C(C)(C)C)CCC1	2071936937	UUGUZURYWSPJKK-HNNXBMFYSA-N	249.442	4.692	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)C[C@H]1C=CCCC1	2072078528	ZQVBRMGKNMGAQE-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@H]2CCC3(CCCC3)C2)CC1	2072661589	WEEPFYFCFCRJDJ-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H]2CCCC23CC3)CC1	2072682392	UVOCKFPWZXDMAZ-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CNC3(CCCC3)C2)CC1	2072808533	HBBSKXMIDRLGIL-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H]2CCNC3(CCCCC3)C2)C1	2074142651	UZRYYLDRDONWNQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN2CC=CCC23CCCCC3)CC1	2074591033	XYYZTOSCXDESJP-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CCC23CCC(C)CC3)C1	2074893272	SOKFMERGAHJUDR-YZUHTNEWSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H](Nc1ccccc1C1CC1)[C@@H]1CC1(C)C	2077261741	DEUBPBAFJUUGEJ-LSDHHAIUSA-N	243.394	4.801	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CC1)c1ccccc1	2077262803	YBZSBCADAVHCKD-CYBMUJFWSA-N	237.346	4.737	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@H]2C[C@@H]2CCC)o1	2079477815	VFXYDNJOAORGBA-JSGCOSHPSA-N	248.366	4.631	0	10	BJAE	
O=C(CC1CCC1)C[C@@H]1C[C@@H]1C1CCCCCC1	2079842097	MNEDSFQDDSFHMX-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@H]1C[C@@H]1C1CCCC1	2079865287	OUVNTXDKAWDPLH-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)CCCC2(C)CC2)c1	2082919551	QUQCYLPFOTUJNG-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
CC1CCC([C@@H]2CCCNC23CCCCC3)CC1	2083812752	SOICPOOKYCMFGI-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@H](C(C)C)C1	2085239618	DYIFUGOORABQFO-JKSUJKDBSA-N	245.410	4.794	0	10	BJAE	
CCC[C@@H](N[C@@H]1C[C@H]2CCC[C@H]1C2)C1CCCC1	2086212830	VVDLGHWBEHYXMJ-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@@H]1CC	2212650038	VGJLASDRKLMKLM-GXFFZTMASA-N	237.774	4.503	0	10	BJAE	
CCC(C)(C)CCNCCCCCCC1CC1	2213571219	FWNQFUGZRIVJIV-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC1(C)C[C@H](O)[C@@H](CCCCCCC2CC2)C1	2213579368	FAFVBPUMEYJWNK-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c(C(=O)C2(C3CC3)CCCC2)s1	2213612474	SSGRROLNGFNFTF-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
Cc1csc(C(=O)C2(C3CC3)CCCC2)c1C	2213666735	DLGZLKLPFUHVBB-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@]1(C)CC=C(C)CC1	2215816435	XSSLGKOJKATEOI-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CCCCC(F)F)C1	2216517630	ZAAAORNAYCAULQ-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@](C)(CN[C@H](C)CC)C1CCCC1	2217128650	KQJGYQKUKTVARE-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@@H](CN[C@@H](C)CC)C(C)(C)C	2217159949	UBXOEJDCAGHMKF-ZFWWWQNUSA-N	241.463	4.863	0	10	BJAE	
N[C@@H]1CCCC[C@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218361194	KZBXZQVWPRRRMS-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)c1cc(C)co1	2218733801	ZJIXOINJEIFANM-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CC=Cc1ccccc1	2219045668	FYXVTOPTOAGSPN-KRWDZBQOSA-N	244.378	4.587	0	10	BJAE	
CN(CCCCC1CC1)[C@H]1CCCCCC12CC2	2220020180	HXRMDXMBFGBLAZ-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)CCCCC2CC2)c1	2220044132	DFPQRPYEPCBZTM-QGZVFWFLSA-N	245.410	4.582	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1c(C)cccc1OC	2220295744	XXMPYBFBXNSAIY-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)c1ccccc1C(C)(C)C	2220642651	LPRLMHWXWQRWAT-OLZOCXBDSA-N	244.378	4.603	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)CC1(C)CC2(CCC2)C1	2221018392	ZVNHQMALBMVNDN-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)C2=CCC(C)(C)CC2)CC1	2221621813	GALRHYAHRFIAJT-RDJZCZTQSA-N	247.426	4.587	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@]1(C)CC=C(C)CC1	2221633217	UACUNSNYWYWXHM-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCCNC[C@]1([C@@H]2CCC2(C)C)CC=C(C)CC1	2221666742	JFIGOBNTYYDBDZ-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2222983366	YALULEYVXGELFK-GCSSGZNBSA-N	248.410	4.598	0	10	BJAE	
FC(F)c1cccc(CC2=CCCCC2)c1	2243245947	UDTACKLQWWBURL-UHFFFAOYSA-N	222.278	4.667	0	10	BJAE	
CC1CC(C)(CC(=O)[C@H]2CCCCC2(C)C)C1	2246519626	NSNGFTAVIKZLCJ-MFOWVQHXSA-N	236.399	4.598	0	10	BJAE	
CCCNCC(C)(C)CC[C@@H]1CCC[C@@H](C)C1	2246662565	HAYSPNXVVWWVIU-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)CCC2CCC2)C1	2246676967	ANEYIFDQLIHDEF-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CN[C@H](C)CC(C)(C)CC[C@@H]1CCC[C@H](C)C1	2246728295	QCRZGXXINXQJAA-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CCCC[C@H]1C[C@H]1C	2247167019	WAJFYIPPNCZGLO-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C1(C)CCCC1	2248805705	CHIVYILLTWRCNY-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C(C)C)[C@@H](C)O	2250484142	BVNWBGCXCHDPNH-ARFHVFGLSA-N	242.447	4.882	0	10	BJAE	
CC[C@H](C)[C@@H](CC[C@@H](C)CCCC(C)C)NC	2250488007	IANYEEXZBVLEOY-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC(=CC[C@H](C)CCCC(C)C)[C@]1(C)CCN1	2250516953	MOFIJKSTODCIGN-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CN)CCC[C@H](C)CCCC(C)C	2250531361	XHKGMJDCGCNPRP-CVEARBPZSA-N	241.463	4.994	0	10	BJAE	
CC[C@H](C)[C@](C)(N)CC1CC(CC(C)(C)C)C1	2251490541	BNNIBSCFMHOVSQ-WLIAPVHPSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)C1)[C@@H]1C=CCCC1	2253792224	XPEAOGMDRZUECV-JCCCHCCOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC)c1cccc(CCC=C(C)C)c1	2254241719	QGOSIOHNUKWULS-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C[C@H]1CCC12CCC2	2254607320	SURBHZYZCSOJLB-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@@H]1CCC12CCC2	2255025909	PCRSYYCUTZQEAP-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CCC1(C)C)c1ccco1	2255029377	ZPNGVRZOSTVJTB-KBPBESRZSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@H]1C[C@H]1C(C)C	2255098950	CAUIHYALDINUIZ-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc([C@H](O)C[C@H](C)CC(C)C)cc1	2256316498	CMVTXPWQGWUCOM-RHSMWYFYSA-N	248.410	4.745	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCC[C@@H]2CC[C@@H]21	2257339284	KBSYNWPCLSIMLK-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H]2[C@H]3CCC[C@@H]2C[C@@H](N)C3)CCC1	2258012826	SRIIVEBOPGMGJH-GEEKYZPCSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C(=O)C[C@@]23CCCC[C@H]2CC3)CCC1	2260587389	MPNZMSOAXSJWOD-HOCLYGCPSA-N	248.410	4.742	0	10	BJAE	
c1ccc2c(c1)ccn2C[C@]12CCCC[C@@H]1CC2	2260588706	TYLSSHFGSBHASZ-NVXWUHKLSA-N	239.362	4.612	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(C[C@]23CCC[C@@H]2C3)C1	2261386948	UQWJVYQORREPNF-KBRIMQKVSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CCC1(F)F	2299008460	UJTHIKWKLVJLQS-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCCCCC1CC1	2300496333	IGHOSVPHEFUBDF-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@H]1CC[C@H](C)CC1	2300501673	QBLKHTSTBZQEDM-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1cccc(C)c1C	2300679017	PHJMHZRYDACQDA-MRXNPFEDSA-N	234.383	4.553	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@@]1(C)C=CCCC1	2300681880	UCINNXJWPXQYMB-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN1C[C@@H](C(C)C)CC[C@@H]1C	2300683497	KHWLNIPFDKNLGQ-HOCLYGCPSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1CCC[C@H](CC)C1	2300685675	HVDFIPNIOFBMQS-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCC(C)=CC[C@]1(N)C[C@@H](C)CCC1=C(C)C	2300873005	VHBPYGJFNXPDKS-HOCLYGCPSA-N	235.415	4.587	0	10	BJAE	
CC[C@]1(C)CCN1CC=C(C)CCCC(C)C	2300888752	MRFSILNPIRACTC-MRXNPFEDSA-N	237.431	4.633	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)CCC1=CCCCC1	2301908798	WEXCFZWJKRSPTJ-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CC[C@@H](C)N1CCCC1=CCCCC1	2302357947	AVXIZRXFQGASFD-ZBFHGGJFSA-N	235.415	4.530	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CCCCC2CC2)C1	2302571071	GPYWIBJDJHIYBT-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)C[C@H](CCCCC1CC1)NCC	2302573008	AILBPNXDVXKSDS-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2CCC(C)(C)C2)CC1	2302877275	CHJGMMCQMSQIBI-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2302902139	MZPSCDVJHSZKBV-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@H](CC[C@H](N)c2cccs2)CC1	2303524021	LYBLMUJSONOADC-KBPBESRZSA-N	249.423	4.665	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CCCC[C@H]1CC	2307875428	ILHBXAPTJRFNFT-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCC[C@H]1C1CC1	2307903227	NYAUMMKHWANZQR-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2309487623	GIAZYCZCMRJOKI-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@@H]1C[C@H]1C1CCCCC1	2311517960	BLVYLQPQOHBRDP-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
N[C@@H](C[C@H]1C[C@@H]2CC[C@H]1C2)C1CCCCCCC1	2312886986	LLFPQGGXRLORPU-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC1CCC1)c1ccccc1	2313691735	IEFLDLNZJPLPEQ-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
CC(=CCN1CCC[C@H]2CC[C@@H]21)CCCC(C)C	2316506704	RESPPZXMHSCGNW-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@]12CCCC[C@@H]1C2	2316510354	MINUWQZNRKLJSR-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC=CC[C@H](NCCC)C1(C)CCC2(CC2)CC1	2316561310	YXNMVKBUYPCYTN-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2316568428	PUGGTUYEFMLPCB-ARFHVFGLSA-N	248.410	4.908	0	10	BJAE	
CC1CCC(C(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316752963	TTZDGAWFBHRQEW-ABSNHQIMSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CC2CCCCCC2)CC[C@@H]2CCCC[C@H]21	2316883883	JLQUJPYWURSFRB-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@@]1(C)CC=CCC1	2316887204	VQBHALGZUZZCPN-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@H]1CC2	2316954656	CPAGRFYTKNBIPX-BQJWPVKWSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CC1	2317004451	NMJSVFMAWWQZAY-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@@H](C)[C@@H](C)C(C)C	2317828005	OZVPBKNEIYLAJG-GRDNDAEWSA-N	247.426	4.738	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCCCC1=CCCCC1	2318528973	KWJURZHCPNWRFB-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCN(CCCC2=CCCCC2)C[C@H](C)C1	2318575594	HAFRSLIFTYBNNY-HZPDHXFCSA-N	249.442	4.635	0	10	BJAE	
Cc1coc(C)c1[C@H](O)CCCC1=CCCCC1	2318579320	GGXJLDGCYKJERH-OAHLLOKOSA-N	248.366	4.601	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)[C@H]2CCCC3(CC3)C2)C1	2319120821	HUOZFHWZIMFMSY-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1(CCN[C@@H]2CCCC[C@@H]3C[C@H]32)CCCCC1	2319322297	CWTKVJLPCYFOBG-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CC[C@@H]2C(C)(C)C)oc1C	2320309288	DDGLAFMAFRNMKZ-OLZOCXBDSA-N	248.366	4.542	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)C=CCC(C)(C)C2)CC1	2320335621	CONZMFISSUYLAM-NVXWUHKLSA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@@H](CC2=C[C@@H](N)CC(C)(C)C2)CC1	2320387599	IIHKTKKSZMPIMS-GOEBONIOSA-N	247.426	4.587	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H]2CCCNC23CCC3)C1	2321629667	ABWSIJQXEMUMKF-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1	2321638077	YCRGSAPSUHDNGH-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(CNc2cccc(C(C)C)c2F)C1	2327776403	LLCMYNXSQKBWQB-UHFFFAOYSA-N	249.373	4.797	0	10	BJAE	
CCC[C@H](Nc1ccccc1)c1ccccc1	19879687	HKLQDCYJTPJFCM-INIZCTEOSA-N	225.335	4.640	0	10	BJAE	
CCCCCCNc1ccccc1C(F)(F)F	20359055	OPNXSAAPUJLCCH-UHFFFAOYSA-N	245.288	4.698	0	10	BJAE	
Cc1ccc(NC2CCC(C)CC2)c(Cl)c1	20471339	TXDHWDIXWFFXLF-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CC(C)CC[C@@H](C)NC1CCCCCCC1	20549980	YVNSDIXSNRSDBL-CQSZACIVSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@H](C)CC(C)(C)C2)cc1F	21507744	USSGVAHMMFDHNN-FZMZJTMJSA-N	249.373	4.761	0	10	BJAE	
CCC[C@@H](C)CN[C@@H](C)c1ccc(C(C)C)cc1	37044251	LOEHINVYXXEGDX-CABCVRRESA-N	247.426	4.897	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@H](C)CC(C)(C)C)s1	40242325	ZQUFUQFRBVNXJH-JQWIXIFHSA-N	240.412	4.552	0	10	BJAE	
CCCCCCOc1ccccc1C(C)C	69404401	BDSGYMBCOHGEKV-UHFFFAOYSA-N	220.356	4.769	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC2(C)C)c(C)c1	94273377	NDZNNSBDEZWESP-HNNXBMFYSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@H](CC1CCCCCC1)NCC	124694744	APGBEUDQOKIPSF-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@]1(O)CCCC[C@H]1C(C)C	125845848	OKHRUDWCHBQKEE-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCCC[C@@H]1CN	131907679	DQEVDNSJSFEZGB-HRCADAONSA-N	239.447	4.748	0	10	BJAE	
CCN[C@@H](CC(C)C)c1ccc(C2CCC2)cc1	133132435	OZVKDFMBHHMECP-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
C/C=C/CCCCCCCC(C)(F)F	148217432	XTWMUQWLHRDPML-ONEGZZNKSA-N	204.304	4.948	0	10	BJAE	
CCCCC[C@@H](NC)C1(CC(C)C)CCCC1	159521685	SVLSUZAIXVHZBL-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCNCC/C=C(\C)C1CCC(CC)CC1	211845539	NMNOISDDBNSQLP-VGOFMYFVSA-N	237.431	4.539	0	10	BJAE	
CCCC(CCC)c1nc2ccc(C)cc2[nH]1	211996112	VDOIWQJBSNWFBG-UHFFFAOYSA-N	230.355	4.555	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCC[C@@H](C)[C@@H]1C	221823785	VFXDFQJZRYTWSN-FRRDWIJNSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2c(C)cccc2F)C1	224953456	ALSGHCNYLUWWGG-CHWSQXEVSA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@]2(O)CCCC[C@@H]2CC)C1	227029541	SVDALEJMJIDFDS-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CCC([C@H](NC)[C@H](C)CC)CC1	228812815	ZWHUOIHXEALXAV-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(OC(C)C)cc1C	233348962	DPSFJUUHSZAXQS-AWEZNQCLSA-N	249.398	4.773	0	10	BJAE	
CC(=O)Cc1ccccc1C1CCC(C)(C)CC1	258264016	FXVMZCVKMPQHPX-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@@H](CCC)NCCCC(C)(C)C	300795865	DBKIYJQEBMAIPE-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cccc(C)c1Cl	300905039	QVGIRUYIZAVPTG-VXGBXAGGSA-N	237.774	4.639	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(O)CCC1CCCCC1	302242618	GDGWOJIKIRZGLC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccc(CC)c(CC)c1	302292219	CXDCBZWIKJSETR-SUMWQHHRSA-N	248.410	4.671	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cccc2ccccc12	302490902	ZYGWHMRRORSXGU-CXAGYDPISA-N	241.378	4.666	0	10	BJAE	
CCCOc1cccc(NC[C@@H](C)CC(C)C)c1	305911431	FSCIKYWOBIMSNN-AWEZNQCLSA-N	249.398	4.570	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)c1cc(C)c(C)o1	305988206	IXIZFQNLPLFUMI-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CCc1cc(N[C@@H]2C[C@@H](C)CC[C@H]2C)ccc1C	306057617	VWYVHMPDGBRULW-DXCKQFNASA-N	245.410	4.794	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](NC)c1cccc(C)c1	308042142	CAGYZASTAIZZGZ-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
Cc1ccc(Cl)c(OCCCC(C)(C)C)c1	309236268	VFKBKXBEIRRWHE-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
CC1CCC(CC(=O)CCC(C)(C)C)CC1	309451314	OJWHKXOJBKYITQ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H](C(C(C)C)C(C)C)[C@@H](C)CC(C)C	310100001	KFOBGQZMULHGPZ-GOEBONIOSA-N	241.463	4.575	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C1(CCC)CC1	310298996	PRYXTCLTTCHFQU-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)Oc1ccccc1NC(C(C)C)C(C)C	310623684	IRJMAETXBVMOAV-UHFFFAOYSA-N	249.398	4.566	0	10	BJAE	
CCCC1(C(=O)c2ccccc2C2CCC2)CC1	310986130	YWADWILFCAZINM-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@H](C)CCC(C)(C)C	311023599	VJNYDWPVCKAZNS-CABCVRRESA-N	247.426	4.860	0	10	BJAE	
C[C@@H]1CCC[C@@H](C2(CNC3CC3)CCCCC2)C1	317867963	HZXUSRGEJQDWAG-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1ccc(CC)cc1)[C@H](C)[C@H](C)CC	319100265	DZCQLYAVYSBFID-CPUCHLNUSA-N	247.426	4.582	0	10	BJAE	
CC[C@H](C)[C@H](C)n1ccc2ccc(Cl)cc21	319650689	RKUFMPOUDOWXCY-QWRGUYRKSA-N	235.758	4.902	0	10	BJAE	
CC(C)CC(CC(C)C)NCC1=CCCCC1	379569296	NVVWOVBGKNUCDW-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)NCC1CCC(C(C)C)CC1	379949624	ZQQVUUZFILUKQH-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CCCCCC(C)C	383135862	DOBNMWMFBOWEHG-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CCN[C@H](CCC1(C)CCCC1)C1CCCC1	383483638	BBVYPMIJTWWTEU-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(N)CCCCCCC2)C1	383956462	WZILXKSJSVNOIS-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@H](C)CCC(C)(C)C	384501349	CLWHSOFDHNBHGL-OLZOCXBDSA-N	227.436	4.616	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)CC(C)C	384867771	QDKKFVRWKIMXDX-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@H](C)CC(C)(C)C)c1	384881161	JWSJRZITGYKNKJ-HUUCEWRRSA-N	247.426	4.779	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C[C@H](C)c1ccccc1	384893134	LWWVVNYODZQMBC-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
C[C@H](C(=O)CCC1=CCCCC1)c1ccccc1	385630101	BDTJVZLRAVDTEG-AWEZNQCLSA-N	242.362	4.640	0	10	BJAE	
CC(C)C[C@@H](C)CNc1cccc(C(F)F)c1	386162514	LGMPLCOARHKYHE-LLVKDONJSA-N	241.325	4.718	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)[C@@H](C)C2CCCCC2)c1	386846689	SEUGLTDEJBMABF-YOEHRIQHSA-N	246.394	4.553	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)CCC(C)C	394727619	FUBICAMATDMBBL-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)CC2(C)CC2)cc1	401251199	AJDISOGAEGVYKY-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
N[C@H](CCCC1CC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	405755083	HEHWASGSPRGKGW-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
Cc1cc2ccccc2n1CCC(C)(C)C1CC1	406078167	VCZMATRGVLGVKM-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
CC(C)CC(=O)CC1(c2ccccc2)CCCC1	686738446	XROUJODDACNXAI-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H](CC)CC(F)F	688833866	NRYMHFJYKDUYGH-NWDGAFQWSA-N	248.357	4.843	0	10	BJAE	
CC1CCC(C(=O)C[C@@H]2CC3CCC2CC3)CC1	691705306	TZWRSUOARISSTP-AXJCJWBSSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CC3CCC2CC3)C1	691727178	IPVFENBMFFFFJH-HPDBWDTBSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)CC1(CC)CCC1	696251669	ZVUUYFKQLXUTKM-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@H](C)[C@H](C)CNC(C)(C)C	696807978	UAQDVFPBCFPJBW-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC(C)=CCCC1(CNCC(C)C)CCCC1	698061791	JZRJMSQAHACFSY-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)c1cccc(C2CCC2)c1	702217956	GDTLHZNTCHAFHI-QGZVFWFLSA-N	242.362	4.573	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCCCC12CCCC2	704474289	MOYKRRNHFBGLJI-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CCC1CCCC1	704959062	UEUCAAQGGMYCQU-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(NC[C@H](C)CC(C)(C)C)cc1C	709100118	XGTSTGLDSITDCH-GFCCVEGCSA-N	233.399	4.788	0	10	BJAE	
C[C@@H](C[C@H](O)CC1CCCCCC1)C(C)(C)C	710703155	NWMNEZFDSGDQIF-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CC1(CNC2CC2)CCCCCC1	713305835	DIJRHNRVVRXXBH-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C=C/C=C\CCNc1ccc(Cl)cc1Cl	713721518	QXEUMFWNKQBTKS-ARJAWSKDSA-N	242.149	4.538	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)C1CCCCCCC1	713745594	LCUIDYJXTVYYQX-RTRPANQVSA-N	249.442	4.847	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1NCCCC(C)(C)C	717454693	KZFZSFFEZBPHPP-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCc1cccc2ccncc12	718645950	MJLFUUMBNHDQEZ-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CC(C)=C(C)CCc1ccc(Cl)cc1F	718779883	ZNIWZSFLBNVKJM-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1CC12CCCCC2	719297353	KIYKYVAQACESBI-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC[C@H](C)C(C)C	720941211	VHOILUFQWQJMAJ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)CC1CCCC1	720976685	HUOFFVJQFHBEGT-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	722862849	ZJZXHQHWIVRGML-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2C[C@@H]2CC)CC1	723126062	CFDPFMKWQNYIGE-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H](C)SCc1ccc(C(F)F)cc1	1165743625	AJBZYKBEWDAPMU-SNVBAGLBSA-N	244.350	4.902	0	10	BJAE	
Cc1cccc(S[C@@H](C)CC(C)C)c1	1458917996	AODLNDYLWGZJCZ-LBPRGKRZSA-N	208.370	4.522	0	10	BJAE	
CC(C)C[C@H](C)CSC1CCCCC1	1613317402	DVKVOSRDOOIPHG-LBPRGKRZSA-N	214.418	4.735	0	10	BJAE	
C[C@H]1CCCC[C@@]1(C)NCC1CCC2(CC1)CC2	1643344419	MHWPVKQXEAFTII-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNCC1CCC=CCC1	1658949659	NJIMEGLSOVZNRQ-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)Cc1cc(Cl)cc(F)c1Cl	1889589667	TYLIPTHXIBTZLY-UHFFFAOYSA-N	235.129	4.721	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H](CC)CC(C)C	1900700350	COTDLXSUKCHRBO-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](CCC=C(C)CCCC(C)C)NC	1900867854	BVCPBLOJYJLJMJ-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Oc1cc(F)cc(Cl)c1	1901681610	FZPZJOIZEWYXHI-VHSXEESVSA-N	244.737	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)CC1(C)CCCC1	1905433624	VQTMHJFCBYLVLO-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CC(=O)CC(C)(C)C1	1905457215	YEQMUISOHASNJT-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CCCC[C@@H]1C[C@H]1C)CC(C)C	1908551127	BEPQKLCPDVPVEH-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCC[C@H]2C[C@H]2C)CC1	1908591200	FMSZNAGJKJMJQV-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@H]1C[C@H]1CCC	1910621156	KZOPNNAMXGMSOU-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	1911826517	DJINSGDQFMRHKF-HRCADAONSA-N	246.394	4.684	0	10	BJAE	
CC(=CCCCCC(C)C)C[C@H]1CCCCN1	1911838419	APPGZUNXMNGYQL-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC=C[C@@H](C)Cc1ccc(SC)cc1	1911842059	ZASPGMFATCXTLR-GFCCVEGCSA-N	220.381	4.553	0	10	BJAE	
C1=C(CN[C@@H]2CCC3(CCCCC3)C2)CCCC1	1915917519	OXZQISQTOQJTDA-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)CC1=CCCCC1	1921566254	ZPKFGKDYMUQPPC-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCC[C@H]1C)C1CCCCC1	1924096360	CDPYKESHCXKJTL-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2C=CCCCC2)C(=O)C1	1925763467	OGGAUUSCLQIAKK-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@@H](C[C@H]1C=CCCCC1)NCC	1925900552	HEEHFOXGMWNKLH-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2C=CCCCC2)C1	1925946709	VSKAALZTQRMCEF-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CCCc1ccc(C(=O)CC(CC)CC)cc1	1926214020	YIIWOYRPSNNTAN-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CCC[C@@H]1CC1(C)C	1940875024	WODPSRVHVZNFSA-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC1(C)CCCCC1)c1cccc(N)c1	1940969441	AFZGVBINLFMHLL-CYBMUJFWSA-N	231.383	4.733	0	10	BJAE	
CC[C@H]1CCc2[nH]c3c(C)cc(Cl)cc3c2C1	1941014837	BFOHTXBIKUEBKV-JTQLQIEISA-N	247.769	4.645	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C[C@@H]1CCC[C@H](C)C1	1941249820	BWHUCCXIZFJNJK-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H](CC)C(C)C	1941267024	MXUDJYVYEVUVSN-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(N)CCCCCC1CC1	1941591889	PAHJUQUPPAWQGW-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H](C)[C@H](C)CC(C)C	1948325168	FSQABNFSEUGSQJ-OLZOCXBDSA-N	237.362	4.617	0	10	BJAE	
CSc1cccc([C@@H](N)CCC(C)=C(C)C)c1	1949046105	AUPPXLAGENQGPI-HNNXBMFYSA-N	249.423	4.545	0	10	BJAE	
Cc1csc(C)c1C(=O)CC1CC2(CCC2)C1	1949743129	WXLHXNOJJVCJPM-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@H]2CC(C)C)cc1C	1968254490	IFRFEABXAXYAAP-HOCLYGCPSA-N	231.383	4.540	0	10	BJAE	
Clc1ccc(NC(CC2CC2)CC2CC2)cc1	1968266435	ZUUBJXAHDMLSKC-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)c1ccc(C)c(C)c1	1968702346	MSEOOFHIJYSFCB-WBVHZDCISA-N	247.426	4.923	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCCC3(CCCCC3)C2)C1	1971670937	SDQRUQZNDOIJNS-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@H]1CCC(C)(C)C1	1978457747	AHWTXHRJJSDTSO-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1csc(C(F)F)c1	1978582156	IBLCHKWVLREBQR-LDYMZIIASA-N	248.338	4.545	0	10	BJAE	
CC=CCCC[C@H](O)C[C@@H](CC)C(C)(C)C	1984608911	YTSWLAPCFCBRTD-KGLIPLIRSA-N	226.404	4.556	0	10	BJAE	
C=C=CCCC[C@H]1CCCC[C@H]1C(F)(F)F	1985447616	MKPGLBDRUGUOEQ-NWDGAFQWSA-N	232.289	4.867	0	10	BJAE	
CCCCC[C@](N)(CC)CC1CC(CC)C1	1990092024	UHPMOKVWWMCPED-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)[C@@H](CC)CCC(C)C	1990880408	HIKDZSJLTWZXMM-ZNMIVQPWSA-N	227.436	4.568	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CC(C)(C)C)NC	1995263024	QEALIMIOHCHOHH-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](NCCCC(C)(C)C)C1(C)CCCCC1	1995982906	IXTBXEQRJKXDDV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](Nc1cccc(F)c1)C1(C)CCCCC1	1995989558	YSPGXBHSOHKKBE-GFCCVEGCSA-N	235.346	4.597	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@@H]1CC[C@@H](C)C1	1996265545	AQWWNHITVZAPEF-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CN[C@@H](C)C1CCC(C)(C)CC1	1996556019	XSDJPFLVWSCTHG-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(N)C1CCC(C)(C)CC1	1996593458	GVPPVOXFTZVBSU-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](NC)[C@@H]1CCCC2(CCCCC2)C1	1996647325	KZGGNAMUUDNBSR-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CCCC2(CCC2)C1	1997042648	LFDIQEQFFNUZPN-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCCC(C)C)CC1	1997116974	OFESIZJNFUMHOP-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
CCCCCC(=O)[C@H](c1ccccc1)C(C)C	2000294719	XSSSSWSJWAVWJT-INIZCTEOSA-N	232.367	4.576	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1(C(C)C)CCC1	2000322720	IEGNJNDTIIIPPN-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@H]1C[C@H]1CC	2000499199	HZFDCFKXDGIVDZ-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CNC)C1CCC(CC)CC1	2000508477	JLOVZQDRECXQIZ-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC([C@H](C)NCC[C@H](C)CC)CC1	2002930807	YTWRYXLCOYKWAK-QVOMUQBLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2003022029	SKZSVKGLBOYQBT-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)NC[C@H]1CC12CCCCCCCC2	2003099130	JOXGDDZTCUXOFL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@@]1(C)C=CCCC1	2003321223	MZBGNXNATMSXCG-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C(=O)[C@@]2(C)C=CCCC2)c(Cl)c1	2003335417	SUTSQZTZXVLIIA-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1csc2ccccc12	2004235334	YHZHDMKKWYKRKQ-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
CCC1(C)CCC(N[C@H](C)C2(C)CCC2)CC1	2004843213	JUDIUZJUDJVENJ-WLYUNCDWSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCCCC12CC2	2005541613	KZRFZCOMWPFPIO-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCNC[C@]1(CC(C)C)CCCCC1(C)C	2005599018	XBVWFUPADMEOIG-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@H](CC)C(C)C	2009551067	DQFVWDGFHORZMJ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCNc1ccc(C2CCC2)cc1	2009597163	AJPGKXUCPDYSAX-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CCC[C@](O)(C1=CC[C@H](CC)CC1)C(C)(C)C	2010711994	FUBNQROEMVNYAK-BBRMVZONSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)[C@H](N)CC1=CC[C@H](C(C)(C)C)CC1	2010728789	IVPNVTRZGFDSHF-AEGPPILISA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCC[C@H]2C[C@@H]2C)C1	2011571912	LRICCTCWUAYIRZ-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC[C@](CNC)(C[C@@H](C)CC(C)(C)C)C(C)C	2012422168	TTWPLUQLZNJJGG-GOEBONIOSA-N	241.463	4.721	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](C)[C@H](C)NC(C)C)CC1	2017723250	SROOJHOSDSJQME-VGWMRTNUSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@](O)(CC)CC1CCC(C)CC1	2018131754	PUQBRERRUFUUKB-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@]1(CC)CCNC[C@@H]1CC(C)C	2018134513	PENRPKAAYYJHLM-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@]12CCCC[C@H]1C2	2018618653	GVYGPNHVTQOIQS-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@H](C)N1C[C@@H](C(C)C)CC[C@@H]1C	2019409718	UDRYAMZJPOMOJJ-JYJNAYRXSA-N	239.447	4.568	0	10	BJAE	
CCCCN(CCC(C)C)C1CCCCCC1	2020502921	DOJFAOPTQZOITJ-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC1(O)CCCCCCCC1	2022451260	MQJDXHWCFUXWMC-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCNCC(C)(C)CC[C@H]1CCCC(C)(C)C1	2024089922	UIPRMGYSEPDNPO-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC[C@@](N)(C1=CCCCCCC1)c1ccccc1	2026940627	AHNJVYVGORLNKU-QGZVFWFLSA-N	243.394	4.531	0	10	BJAE	
CCc1ccc(NCCC[C@H]2CC2(C)C)cc1C	2027822982	UIGZNNQDRJYRQM-HNNXBMFYSA-N	245.410	4.796	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)c2cccc(C3CC3)c2)C1	2028558436	WNLUWUVTMDCXOF-DOMZBBRYSA-N	242.362	4.573	0	10	BJAE	
CCC(CC)CC(=O)c1ccccc1C1CCC1	2029077417	HFCIXYGZLBOEFI-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
Fc1cccc(-c2ccc(C3CCCC3)cc2)n1	2031744218	CDFOSZKYBGYQPJ-UHFFFAOYSA-N	241.309	4.545	0	10	BJAE	
CC1(C[C@@H](O)c2ccc(C3CCCC3)cc2)CC1	2031751094	ABVBDJPRYFVTMA-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC2=C[C@@H](N)CC(C)(C)C2)C1	2031823030	CJTDBKYKJRJZLN-ORIJERBGSA-N	249.442	4.523	0	10	BJAE	
C[C@H](CC1CCC1)Nc1ccccc1C1(C)CC1	2032243488	VYAXVVFLZFIKQF-CYBMUJFWSA-N	243.394	4.729	0	10	BJAE	
CCCCc1ccc(C(=O)C(C)(C)C(C)C)cc1	2032304711	BLLGVJFBMXFUEZ-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)C[C@@H]1CCCC[C@H]31	2034148082	QSXUAKZVCUNTMF-STQMWFEESA-N	239.362	4.615	0	10	BJAE	
Cc1ccnc(NC2CCCCCCCCC2)c1	2035879845	WATHCAXJPBCXSN-UHFFFAOYSA-N	246.398	4.695	0	10	BJAE	
C1CCCCC(NC2[C@@H]3CCCC[C@@H]23)CCCC1	2035888270	AFIFMFLZPRCZNJ-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@@H]1CC12CCCC2	2036094396	MCTXBWCUPYXWDO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@@H]1CC(C)=C[C@H](C)C1	2037043871	KWIZKINVDAQAOY-PYIOCPRISA-N	249.442	4.523	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCCC1	2037130440	NRNZZYQNESMCJM-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1CC1)[C@@H]1CCC2(CCCC2)C1	2037594372	RTZCXARRJBYIEY-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
c1ccc2c(c1)ccn2[C@@H]1CCC2(CCCC2)C1	2037678136	ISBIHONWNFPDCV-OAHLLOKOSA-N	239.362	4.927	0	10	BJAE	
CN[C@@H](CCCC=Cc1ccccc1)C(C)(C)C	2038075431	SOMIPQMXALDJIM-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CCC[C@H](C)CC1	2039376657	SGJCMUUXTCCSQB-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCCC(C)(C)CC2)cc1	2039387868	YUXZMTLHXKEYJQ-CQSZACIVSA-N	244.378	4.784	0	10	BJAE	
CCCC1(CNCCC23CCC(CC2)C3)CCC1	2039415049	HHXOATXZOLYCSC-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@@H]1CCCCC[C@H]1C	2039452569	KLIOOMVXNCDNJD-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCCC2(CCC2)C1	2041299140	GYPRDHWGGVTWOJ-CYBMUJFWSA-N	247.357	4.659	0	10	BJAE	
CC(C)CC[C@H](N[C@@H]1CCC2(CCC2)C1)C1CC1	2043609940	SVVZOKJFRJXMEV-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCN(C[C@@H]2CCC=CCCC2)CC1	2045315341	SQLWWHHXISVBMQ-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@@H]1CC12CCCCC2	2047055987	OZFPNEZRMDCSOU-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047438555	TZTQBYAWUUXBIA-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2[C@H]3CCCCC[C@H]32)CC1	2048373361	BDAOBAJZKPQBRZ-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1N[C@@H]1[C@H]2CCCCC[C@H]21	2048383382	YKPKDIIVHJAWNZ-ZOFXXKQRSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC1[C@@H]2CCCCC[C@@H]12	2048447040	PNDYNHYUABYHKE-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1[C@H]2CCCC[C@H]21)C1CCCCC1	2048471869	QFGTUMZEBWWFCP-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H]([C@H](N)CC2CCC3(CC2)CC3)C1	2049938396	QHJBFEYBZXTBJS-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
CC1=CCCC[C@H]1N[C@@H]1CCCCC12CCCC2	2055672572	URODZNPAZGUJJV-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H]1CCC[C@H]1C(C)C	2056452749	RRRVWPSSTBHWNG-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CC(CC)C1)[C@@]1(C)CC=CCC1	2056646375	UNNKVXSSBYBPDU-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CC=CCCCC[C@H](NCC)c1ccc(F)cc1	2059247558	RXBLAGHKFKKYCM-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CC[C@H](C)[C@H]2C(C)C)CC1	2061121773	JHSKESPDOMJDQY-XOSAIJSUSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)C(C)(C)C2CCCC2)CC1	2061148151	STBVIHPOEPJIEQ-BBRMVZONSA-N	249.442	4.667	0	10	BJAE	
CCOc1cccc(CC2CC(=C3CCC3)C2)c1	2061725444	FXGHCBVBKFSSLI-UHFFFAOYSA-N	242.362	4.518	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC1CC(=C2CC2)C1	2061730410	HWAFFLTXNYOGAL-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@@H]2CCCCCC23CC3)C1	2062020387	ZQNLCONMTGGCKS-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](NCC)C1C[C@H]2CCC[C@@H]2C1	2063520375	NIZYZXOKVDEMJB-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(CC12CCC(CC1)C2)C1CCCCC1	2065334276	BQXZIADOOBCOHU-PREGVCBESA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@@H]3CCCC[C@@H]32)CCC1	2069342267	NGYQSDBXTAWCTA-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CC1	2071194977	XWNBDFOLLSAZCB-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(OCC2(C(C)(C)C)CCC2)c1	2071918359	SLHVZYKMEOMYGX-UHFFFAOYSA-N	246.394	4.844	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(CNC)C=CCCC2)CC1	2072798937	ODONWXGMGLAAON-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC1(C)C[C@@H](C=C2CCC(C(C)(C)C)CC2)CN1	2073121228	ZDIJORIMJWRYMB-GICMACPYSA-N	249.442	4.537	0	10	BJAE	
CN([C@H]1C=CCCCCC1)[C@@H]1CCC2(CCC2)C1	2074811415	VPVWFMNXFQANQG-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
C[C@H](C1CCCC1)N(C)[C@@H]1CCC12CCCCC2	2075008461	KMRRWKPLMUXSQM-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C)[C@@H]2C=CCCC2)CC1	2075084042	IDUASCLWAQLRKB-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CC=C(CC)[C@@H](NCC)c1ccc(C(C)C)cc1	2077189667	KHJHBUGQEHWPSZ-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
C[C@@H](C=C[C@]1(C)CNC(C)(C)C1)C1CCCCC1	2078848346	SSYBHOKGZICRCQ-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCC1)[C@H]1C[C@@H]1C1CCCCC1	2079493000	UZXMEMCVXPJZNW-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
CCCC1(NC[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079648672	BTZFEHJZQDTKHV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CC2CCCCC2)CCC[C@H]2CCCC[C@@H]21	2081133795	SCUPPXUFUOUWGE-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)CCCC2CCC2)c1	2082941930	LPFAJEZAMPPPCC-QGZVFWFLSA-N	246.394	4.616	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2CNC3(CCCC3)C2)C1	2082977265	XUVNRXRRKWNAGP-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]2[C@H](N)C3(CCCCCC3)[C@@H]21	2083262837	HALLXTGKMAFYOZ-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C[C@@H]2CC23CC3)CC1	2086518580	ADHKXLURSVDPJA-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CNC(C)(C)CCCCCCCCC1CC1	2212443642	USEALLZIBXZVOZ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@H]1C)C(C)(C)CCC	2216281884	DGDGFFMDRAPNKU-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CCCCC(F)F)C1	2216502860	PHHQHLPTNQLROD-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCCCC1(CNC2CCC2)CC(CC)C1	2217142520	XAJZAJUNSQKLOM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](C)(CNC1CCC1)[C@H](C)[C@H](C)CC	2217155603	DGNYDYDKABAFKC-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C/C=C/c1ccccc1)C(C)(C)CC	2219096034	RIWSJGDXKZXWPM-ISBHARSQSA-N	245.410	4.504	0	10	BJAE	
CN(CCCCC1CC1)[C@@H]1CCCC2(CCC2)C1	2220005442	JZXNPKCIXXQFOZ-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1(C)CC2(CCC2)C1	2221000305	KNPCRVIAMPHPSM-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2221083930	OFLUVCSEGLYSRR-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@]1(C)CC=C(C)CC1	2221612860	ATQMRFDAVYDSLI-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2CC(C(C)C)C2)CC1	2221641329	UPUMEHIMMUWULT-DQPZFDDXSA-N	248.410	4.764	0	10	BJAE	
C[C@]1([C@H](N)CCCCCCCC2CC2)C=CCC1	2223110224	NEQVZEUTOHALSN-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CCC2CC1C2	2223162178	TYOVTCZMUXORSQ-OFLPRAFFSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(CC)C(=O)CCCC[C@H]1C[C@@H]1C	2243065675	GQLHYBSZFGZFGA-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cc(C(F)F)cs1	2244778928	BNTBLAKHKLLCBW-LDYMZIIASA-N	248.338	4.545	0	10	BJAE	
CSc1ccccc1NCCCC[C@H]1C[C@H]1C	2247121102	PFSWLOKLDTYHJB-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CCC(C)(CC)Nc1nc(C)cc2sccc12	2249498687	LNOGMWWNOKRONS-UHFFFAOYSA-N	248.395	4.595	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCC1CCCC1)NCC	2250351221	AYOINRRXXRNIIZ-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1ccc2sccc2c1	2250369713	WDPIZNIJKLJEPH-IAQYHMDHSA-N	248.391	4.761	0	10	BJAE	
CCCN[C@H]([C@H](CC)CCC)[C@@H]1CCC[C@@H]1C	2250372537	QCIPXVDCDQHAGO-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H]1C=CCCC1)NCC	2250373305	UAYNIEZKIQGRNX-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(O)C=CCCC1	2250495547	JGEYQYMCJKENCI-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)C1)[C@@H]1CC=CCC1	2253664421	RPHPBHCEXZEHMF-JCCCHCCOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(CC[C@H]1CCCCC12CC2)CC1CC1	2253865189	OQJIPGKFYKVLRJ-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C)c(OCC2CC3(CCCC3)C2)c1	2254081206	YHISXOQBXLHMSN-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CC[C@@](N)(CC1CC2(CCCC2)C1)[C@@H]1CC1(C)C	2254114556	UJFOOTCIQLXJSZ-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H](N)C[C@H]1CCCCC12CC2	2255014190	PQSCQODLMAVMDJ-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC[C@@H]2CCCC23CC3)CC1	2255236044	MZVVCFQLPUEEBY-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)CCC12CCCC2	2257313834	WXIWAGRWOXZWKC-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](CC)CNc1cccc(C2(C)CC2)c1	2259463343	MCFUYDDNWIOALS-CQSZACIVSA-N	245.410	4.976	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CC2(C1)CC(N)C2	2259617566	XRPOAZMCAZFAEW-ODIFPOPNSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@@]23CCC[C@@H]2CC3)CC1	2260485252	DBBNPKKBILNRFK-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCCNC[C@@]23CCC[C@@H]2CC3)CC1	2260534265	HAOOZWHGMKVMFI-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CC[C@](C)(CNC1CC1)C[C@]12CCCC[C@H]1CC2	2260658972	SKPRVIFQNCWSFH-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@]12CCCC[C@H]1CC2)C1CCCC1	2260678447	LJBBVVOLOKNKJB-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@@]12CCC[C@@H]1C2	2297876717	REKMBHUNRZAKFT-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](CNCC(C)C)C(C)C	2300674490	VJLZIRJJNLGVQE-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@@H]1CCC[C@H]1C	2300683813	NNNLZVVMBKNOBW-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](NC)C(C(C)C)C(C)C	2300684020	PQDFQYBWBVLOER-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C[C@@H](C)C1CC1	2300700188	KGQFTQHNPPMIIO-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H]1CCCC[C@@H]1CC	2300876616	IDYVBTGDZVKRNM-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@]1(O)[C@@H](C)C[C@H]1C	2300974076	JKRCKTUTBZEJQW-LVQVYYBASA-N	240.431	4.636	0	10	BJAE	
CCc1ncsc1-c1ccc(C(C)(C)C)cc1	2301779929	ALNFACWUWPARMP-UHFFFAOYSA-N	245.391	4.670	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CCC[C@H]1C(C)C	2307894401	MKWPVNOBQBERJG-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)CCC1CCCCC1	2307903918	QOUPGVHTSINXRM-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(F)c1cccc(N)c1	2307910474	OLBYSCDMJVKASY-SWLSCSKDSA-N	237.362	4.670	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C[C@@H]1C[C@H]1C1CCC1	2311515669	OPLHUOCZIZBLNW-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C(CC2CC2)CC2CC2)C1	2313606605	UAGKLQRKCUBBGV-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CCC(C)=CCN1CCC(C2CCCCC2)CC1	2316513605	ULSMZRVZPDYHCD-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1(CC2CCC2)CC1	2316531388	DYADSNDDFFOHRL-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316790340	IGTIHACVFMWBDL-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C)Cc1ccc(C(CC)CC)cc1	2318404617	GOMAFZXMHWIVLO-CQSZACIVSA-N	247.426	4.521	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1NCCCC1=CCCCC1	2318530740	DOILHUMMCNYMAT-VYDXJSESSA-N	249.442	4.681	0	10	BJAE	
NCC[C@H]1CCCC(=CCCC2=CCCCC2)C1	2318550990	LMPJRDBFDAGBRQ-QGZVFWFLSA-N	247.426	4.732	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CC[C@H]1C1CCC1	2318557735	OCDZWQGUBDIABT-DLBZAZTESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCN(CCCC2=CCCCC2)C[C@@H](C)C1	2318575592	HAFRSLIFTYBNNY-CVEARBPZSA-N	249.442	4.635	0	10	BJAE	
C[C@]12CCCC[C@@H]1CN2CCCC1=CCCCC1	2318591692	AYLLHPBJDFPLTM-SJORKVTESA-N	247.426	4.532	0	10	BJAE	
CN(CCCC1=CCCCC1)[C@@H]1CCCC1(C)C	2318599598	YHHSVCPVRUJJES-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
Cc1cc(C)c(NCCCC[C@H]2C[C@@H]2C)c(C)c1	2318882314	ZQTUNKDJFCIMKF-BBRMVZONSA-N	245.410	4.850	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(N)CCCC[C@H]2C2CC2)C1	2319046178	YNZDIVMOKUFWNX-QRTARXTBSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@H](N)CC[C@@H]1CCC(C)(C)C1	2319119782	XMQVYLGEDQJYNN-GDBMZVCRSA-N	245.410	4.601	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CC(=O)CC3(CCC3)C2)C1	2319134158	GWLJVOKBJWWCGV-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)CCCC[C@@H]3C[C@@H]32)C1	2319244068	RVCSJMRQEOEOBG-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC[C@H]1CC[C@@H]1C1CC1	2319731249	SHGJWCIQQCULML-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CC1CC2(CCC2)C1	2320155909	FZOYDDMXLNRVIF-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2C(=O)C[C@H]3CC[C@H]2C3)CC1	2320336821	IVLJDFBMBBVCIR-UGUYLWEFSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@@](CN)([C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2320397505	IYYVFTIOLMPFPH-IXKJSCDLSA-N	249.442	4.524	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@H]1C[C@@H]1C1CCCCC1	2320403914	SPFILKBHFLVYHM-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c2[nH]c(-c3cccs3)cc2c1	1516862	BSBKKRGMGFNZOV-UHFFFAOYSA-N	227.332	4.513	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cc(F)cc(F)c1	20561346	SOOPCAUKDSVUOB-GWCFXTLKSA-N	241.325	4.592	0	10	BJAE	
CC[C@H](C)[C@@H](N)c1ccc(C(C)C)cc1C(C)C	21007837	HYYAUDTWCGUKTI-SUMWQHHRSA-N	247.426	4.979	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccc2sccc2c1	36975634	NDTDDGYYRNVNFV-GHMZBOCLSA-N	233.380	4.748	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1ccc2ccccc2c1	54440651	IYVSEQUZJNFLES-MRXNPFEDSA-N	241.378	4.666	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1cc(C)cc(C)c1	68867209	OOUJCBLUCGLOBF-DOTOQJQBSA-N	248.410	4.943	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@]1(N)CCC[C@@H](CC)C1	71111639	HVGWZQRAURCQOI-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
Clc1ccc2[nH]c(C3CCCCCC3)nc2c1	84436527	VEYCBNVLNBXQJJ-UHFFFAOYSA-N	248.757	4.654	0	10	BJAE	
CSc1ccccc1N[C@@H]1C[C@@H](C)CC[C@H]1C	85097263	NLEFBWQSHPWEBR-OUCADQQQSA-N	249.423	4.645	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCCC1(C)C	86873955	CAVLOPFTNPTTMH-AWEZNQCLSA-N	225.420	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CC2CCCC2)CC1	86940704	BRBAQJYRKYLYIT-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc([C@@H](O)C2(CC(C)C)CCCC2)cc1	94906621	FATFOFLKJSDCGS-MRXNPFEDSA-N	246.394	4.635	0	10	BJAE	
CCCC(CCC)c1nc2ccccc2o1	102158972	PTPQQKNCHREXKB-UHFFFAOYSA-N	217.312	4.512	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1ccc(C(C)C)cc1	103940649	VSLIKNZXWLULLW-CJNGLKHVSA-N	233.399	4.636	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(F)c(C)c1	103973302	NFKYFSDSHKLEAU-AAEUAGOBSA-N	237.362	4.761	0	10	BJAE	
Cc1ccc([C@H](C)CC[C@@H](C)N)cc1C(C)(C)C	107636410	UKLQHLBFAOASAN-TZMCWYRMSA-N	247.426	4.523	0	10	BJAE	
CC[C@@H](C)c1ccc2c(c1)[C@H](O)CC(C)(C)CC2	110269802	SDVBESPOKGJCNV-MLGOLLRUSA-N	246.394	4.596	0	10	BJAE	
CCC(CC)[C@@H](C)NC(CC(C)C)CC(C)C	111664140	WHZXWBWGNUASED-CQSZACIVSA-N	241.463	4.862	0	10	BJAE	
Cc1ccc([C@H](C)CCCC(C)C)cc1	136351334	GVCHCLNHTASCCP-CQSZACIVSA-N	204.357	4.925	0	10	BJAE	
CCN[C@@H](C(CC)CC)C1CCCCCCC1	159099974	WVMJGHVSUJIJIE-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1CCCC(C)C	165488389	WAQJHVUYNTZHHN-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](C2CCCCCC2)C1	167551863	MXJWUXJYNUZYPY-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(Sc2ccc(C)c(C)c2)cc1	201042232	FGNPLFBJOQXJDT-UHFFFAOYSA-N	228.360	4.763	0	10	BJAE	
CCCNC[C@@H](CC(C)C)CC1CCCCC1	203376963	UDLNAPQYIOACAC-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](NC[C@@H]2CC=CCC2)C1	230771060	KCCLCGUZPDKGHT-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@@H](N)c1scc(C)c1Cl	232851102	HQLRYNWIIHPXOR-SNVBAGLBSA-N	245.819	4.536	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC(C)(C)C[C@H]2C)cc1	233405761	KLTPNXQWWUPDEL-CZUORRHYSA-N	245.410	4.876	0	10	BJAE	
O=C(c1cccs1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	250075162	DJUKISLWCXKFMZ-RWMBFGLXSA-N	248.391	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC)C[C@H]1C[C@@H](C)CC	250887141	VWXKABNQUKDKAF-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](Oc2ccc(Cl)cc2)C[C@H]1C	251589612	CGIINAGPNOEFBK-JTNHKYCSSA-N	238.758	4.544	0	10	BJAE	
CCc1nc(-c2cccc3ccccc23)cs1	259312948	PCDBXTMIKLIRJG-UHFFFAOYSA-N	239.343	4.526	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@H]1CCC[C@@H]1C	300287133	XEOUAJYAGTZUKI-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
Clc1ccc2c(ccn2[C@H]2C[C@H]3CC[C@H]2C3)c1	302272416	ANHPFUDNQGEYCB-PGUXBMHVSA-N	245.753	4.656	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(CCC2CCCC2)C1	305896930	NFPGXCZEFPWGNO-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1cccc2ccsc12	305899947	AFRABBDZDOSKGF-FZMZJTMJSA-N	248.391	4.617	0	10	BJAE	
Cc1ccc([C@@H](C)NC[C@@H](C)CC(C)C)c(C)c1	305930370	JQNZAQQCTFYDSS-GOEBONIOSA-N	247.426	4.636	0	10	BJAE	
Cc1cc(C)c([C@H](O)C[C@@H](C)CC(C)C)cc1C	305970751	PUNNOLHJUBGSMJ-YVEFUNNKSA-N	248.410	4.718	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@H](CC)CC(C)C	308053342	ADSFKHXMTPGARR-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCCC[C@@H](N)C2)CC1	310124100	ITPKIDDJSZTLQA-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@]1(CNC2CC2)CCC[C@@H](C)C1	317805096	SMCNWMNOWXMRAH-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cccc2ccsc12	319674809	IPCOVYIULZMAKZ-GHMZBOCLSA-N	246.375	4.766	0	10	BJAE	
C/C=C/CC1(CNCC(C)C)CCCCCC1	319916919	JAQXTTMQUQNHMI-SNAWJCMRSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1ccc(C)cc1Cl	320212192	RYAZFFDYRXUUMV-WDEREUQCSA-N	238.758	4.513	0	10	BJAE	
CCCC[C@H](CC/C=C\c1ccccc1)NCC	324345312	YQCZNOCEHVTNDX-HOFZKYPUSA-N	245.410	4.648	0	10	BJAE	
CCCN[C@H]([C@H]1CC[C@H](CC)CC1)[C@H](C)CC	328357486	RWPLVDQYVCIWEL-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](C)(O)CCCCCC(C)C	383133444	DGNHQBPKAOBGIE-HNNXBMFYSA-N	228.420	4.924	0	10	BJAE	
CC(C)(C)c1nc2c(s1)CCCC21CCCC1	383794683	RSWXGWZAWBKBGX-UHFFFAOYSA-N	249.423	4.589	0	10	BJAE	
Cc1ccc(NC(C2CCC2)C2CCC2)c(C)c1	385059319	QMYVQJXAGURRKA-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
Cc1cscc1NCC1CCCCCCC1	387337565	PKKPRMCXBMICSK-UHFFFAOYSA-N	237.412	4.829	0	10	BJAE	
CCC1(NC[C@H]2CCC[C@H](C)C2)CCCCC1	389491372	SLGYCPJCBFDDAG-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC(C)(C)CN[C@@H]1CCCCC1(C)C	391219643	VEMJWQXGDOKJQG-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC1(CCN[C@@H]2CCCC23CCCC3)CCCC1	392940745	QHITXODLOYPUOV-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
COc1ccc(N[C@H](C)CCC(C)(C)C)cc1C	394140060	SFDKFDMZFYYRJZ-CYBMUJFWSA-N	249.398	4.630	0	10	BJAE	
Cc1ccccc1NCCC1CCCCCC1	394578494	QZIPURGXXKTGPD-UHFFFAOYSA-N	231.383	4.767	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CCCC[C@H]1C	395131611	GCTHIBICCQKFFO-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCc1ccc2scc(C(F)F)c2c1F	396257247	WFKDEBMVZAARGV-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cccc2sc(C)c(C(F)(F)F)c12	396309179	SVNCONUIKJYNHE-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H](C)C2CCC2)c(C)c1	398752784	RLTKOAVGZKDICA-LBPRGKRZSA-N	244.378	4.621	0	10	BJAE	
C1CCCC(NC[C@H]2CC3CCC2CC3)CCC1	400007771	BSNTXWPQDAHGPC-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@@H]1CC=CCC1	402231596	YAODWHPXCNFLFZ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CCC[C@@H](C(C)C)C1	686307780	VASQWHQAAZIRDI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@H](CN)C2CCCCCC2)CCCC1	688456120	VVJPDBFWSYUHAF-OAHLLOKOSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](Nc1ccc(C2CC2)cc1)C1CCC1	690116743	BCXMMCTWJXEIKJ-KRWDZBQOSA-N	243.394	4.945	0	10	BJAE	
CC(C)(CCNc1cccc(C2CC2)c1)C1CC1	690137603	LBCVFGKZGMCENO-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCCCC[C@H]2C)c1	691078443	IZFSBOSPXVAZHK-OCCSQVGLSA-N	235.346	4.515	0	10	BJAE	
CC(C)CCCC/C=C1\[C@@H]2CCCN[C@H]2C1(C)C	693677823	WFSFZANQHIFJNK-SYKQYWRRSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H](F)c1cccc2c1NCC2	696700637	GBZSWXZFOMXXCU-AWEZNQCLSA-N	249.373	4.882	0	10	BJAE	
CC(C)CCCCC[C@@H](CN)C1CCCCC1	696863535	ZNEHMMGJAZDBIV-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H]1CCCC[C@@H]1C	704841462	GBAGYZBGOIXWAB-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@]23CCCC[C@@H]2C3)cc1F	709129312	MYOVBPVRALIGNO-IOASZLSFSA-N	247.357	4.515	0	10	BJAE	
O=C(CCC1=CCCCC1)C12CCC(CC1)CC2	710118401	SWMMRFSXDXCZPO-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C12CCC(CC1)CC2	710320157	DWVIUTDOCZBXOU-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@H](C)C(C)(C)C	711171358	GPCXIOAEFRYAIJ-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CCC(C)(C)CC)C1	711301763	ULBFFOHIZKZYJC-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H](CC)CC(C)C	713244599	VHLZMZFHGYZKSO-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C/CCN[C@@H]1CCC[C@H](C(C)(C)C)CC1	713499549	SRHUHPATIFNKFT-BUWFCSEKSA-N	249.442	4.703	0	10	BJAE	
CC/C=C/C[C@H](CC)c1c(C)cccc1O	714534534	SKZHOIHQLIJPSG-YBJDMEARSA-N	218.340	4.551	0	10	BJAE	
CC[C@@](O)(CCC=C(C)C)CC1CCCCC1	720978695	UBMKQALFAFKORD-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C)CCC(=O)Nc1ccc(C(C)C)cc1	1522816429	BPLFCBUBYMSBAW-CYBMUJFWSA-N	247.382	4.575	0	10	BJAE	
CCC1(CC)CCC(NC2CCC=CCC2)CC1	1561012241	JFVBIMNHHKLXOA-UHFFFAOYSA-N	249.442	4.824	0	10	BJAE	
CCC[C@H](C)CCNC[C@@H]1CCC[C@@H](CC)C1	1656860614	AYIFWNLVODEFGH-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC[C@@]2(CCN2CCCC2CCC2)C1	1875948578	FSRBYWSHXUQWCZ-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
Cc1c(Cl)cc2ccc(Cl)nc2c1Cl	1888964440	BDHHMCSPHKNXAX-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CC(C)CCCc1cc2cc(F)ccc2o1	1901881835	WQRIURBAFDCOFG-UHFFFAOYSA-N	220.287	4.551	0	10	BJAE	
CCCC(C)(C)c1nc([C@@H]2CC2(C)C)cs1	1901908673	MYCUHSMYYSITQC-JTQLQIEISA-N	237.412	4.734	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNc1cccc2ccsc12	1908553220	XYXKCDCGUXCYLA-DGCLKSJQSA-N	245.391	4.749	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)C[C@@H]1C[C@@H]1C	1909547045	LGQUAXDYRDHRTL-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCCC(=O)c1cccc2ccccc12	1911904138	RIALKDVZHGZVHN-UHFFFAOYSA-N	236.314	4.545	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	1917349110	GOCIUEJIDWSGNY-DNNBLBMLSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)c1ccc(C2CC2)cc1	1919977842	WDPMLYJYODFQOA-CXAGYDPISA-N	246.394	4.598	0	10	BJAE	
CC(C)C[C@@](O)(CC1CCCC1)c1ccccc1	1920023533	BLVXAVLKILSVMW-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CC(C)c1ccc([C@@](C)(N)CCCC2CC2)cc1	1920440091	IBSGFVOWIZGRMB-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(N)c1ccc(C(C)C)cc1	1920440820	PWRMSHFTINBRHN-WMLDXEAASA-N	247.426	4.810	0	10	BJAE	
CCCC1CC([C@H](C[C@@H](C)CCC)NCC)C1	1921271040	ICLAMIASJWCGQP-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@@H]2C=CCCCC2)C1	1925763980	UGEMICPUNUVMHW-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCc1ccccc1CC[C@H]1C=CCCCC1	1925876429	FJGYDWHZEFYEAX-HNNXBMFYSA-N	228.379	4.928	0	10	BJAE	
CCC[C@]1(C[C@H]2C=CCCCC2)CCCCCN1	1925926051	FCKAPBPSESUJIO-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CC1(CCCC(=O)c2ccc(Cl)s2)CC1	1927811264	WDDKXYBKAVVWQH-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1sccc1Cl	1927979665	DALQPBUHYTYPGL-KOLCDFICSA-N	246.803	4.507	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1csc(Cl)c1	1933600888	VFEQBCZOEXAYSS-GFCCVEGCSA-N	246.803	4.651	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CCCCCC1CC1	1936403268	KRSQESHGMLQKRM-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1csc(CC)c1	1936755798	CXXPVONLGWSGHD-SMDDNHRTSA-N	240.412	4.560	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](N)C1=CCCCCC1	1941271424	DKRXEGQWFBANFK-HOTGVXAUSA-N	237.431	4.523	0	10	BJAE	
CCNC[C@]1(CCCC(C)C)CCCC1(C)C	1944476602	ZAYHBUKYTJZDAJ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@@H]1CCC[C@H]1C	1944841911	FXRKBZAVIXUODI-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC2CC(CC)C2)CC1	1947035952	VRKOIJYLQDTZDY-FYRZTWFESA-N	237.431	4.514	0	10	BJAE	
FC(F)(F)c1ccc(CC[C@H]2C=CCC2)cc1	1947551882	JOONASSSUXMTGT-NSHDSACASA-N	240.268	4.604	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1C=CCC1)NCCC	1947577727	VGQWLVUMWQJOOT-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C1CC(C)(C)C1	1948146945	QGFSIYNWBLNGIR-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](N)CCC[C@H]2CC2(C)C)CCC1	1949054286	LDUXVUCHROSBJB-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CCC1(CO)CC(C)(C)C1	1950370691	FERBUHYGKDWKQY-CQSZACIVSA-N	240.431	4.782	0	10	BJAE	
CC(C)(C)CC[C@H](O)[C@@H]1CCCC(C)(C)CC1	1950912754	AKGKZEZRCKFYHV-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
C[C@H](NCCCCCC1CC1)[C@]12CCCC[C@H]1C2	1966499988	MQHNGAUORCSIPQ-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H]1CC[C@H]1Nc1ccccc1Cl	1968256818	QSJPIIVZVUAHCA-DGCLKSJQSA-N	237.774	4.577	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]2CC(C)C)c(C)c1	1968739646	UJBBPNQQGXOEMK-GOEBONIOSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H](N[C@H](C)CCC1CC1)C1CCCCC1	1969167369	REXBMUVXGVUHSY-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC2(C3CC3)CCCC2)C1	1970876282	GKDQBQUJGGEVGY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)(CN[C@H]1CCCC12CCC2)C1CCCC1	1971701136	HCSZJMSMJZTJLO-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NC1CCC2(CCC2)CC1	1973044678	YNFABJJNFVSZDV-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCCC[C@@H](NCC)C(CC)(CC)CC	1978565017	VCOFTYZQTLBFSG-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C(C)(C)CC	1984635166	MVCFXIJZNSKVDT-MRZGDXHCSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@@H](CC)N(C)[C@@H](C)CC(C)C	1990810742	YMQQAVFILLUXLQ-LSDHHAIUSA-N	227.436	4.712	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1C[C@H]1CCC	1992976221	FGXHUQNLYJRDCR-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CC1([C@](C)(N)CC2CCCCC2)CCCCC1	1995986420	OBPOPXOPKBGMID-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](C)(O)C1CCC(C)CC1	1996547259	NIULFWKHKYWPML-GYTBAZASSA-N	240.431	4.636	0	10	BJAE	
CC1CCC([C@@](C)(O)CCC2CCCC2)CC1	1996548913	SPXSHKHABZAWBM-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)C1(C)CC=CC1	1997546590	NYNWIYDTCALBQM-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@H](N)[C@]1(C)CC=CCC1)CC(C)(C)C	1997555062	XFSGIGZOMCDBNI-IJEWVQPXSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC1CC(C(C)(C)C)C1	1998255328	JDWNOASMTOZQTR-ZUEPYMLJSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@](C)(N)C1CC(C)(C)C1	1998649684	MSWNJOAIEPGGKV-BLLLJJGKSA-N	239.447	4.602	0	10	BJAE	
C=CC=CCC[C@](C)(CCCC)CNC(C)C	2000504064	DMVWLNGNPPMTGN-INIZCTEOSA-N	237.431	4.703	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1CCC12CCC2	2001861890	DFJKRCJNMXJBJL-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@H]1CCCC(C)(C)C1	2002972239	QNIDNGCQCCIASQ-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)CN(C)C[C@@H]1CCCC(C)(C)C1	2002996312	PNTDNNVDQYXWKC-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H]1CCC[C@H](CC)C1	2004233620	LBUSEDHFFNZEHT-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CC1CC(C(C)C)C1	2007757907	AJXWICDSKYXBRD-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
O[C@H](C=C1CCCCC1)C1CCCCCCC1	2007926383	NXYNBYFSRDAVOS-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](C=C1CCCC1)NCCC	2007937709	QLIFKKLHSSPSBS-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)C[C@H]1CCC(C)(C)CC[C@H]1NC	2009405618	ALEVSFCOAYJTNW-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](O)[C@H](CCC2CCCCC2)CC1	2009408971	XLUIROGQLLQWGE-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCCCCCC[C@H]1O	2009590197	PGUQYMRZIXKBNP-REUDQUMMSA-N	238.415	4.844	0	10	BJAE	
C/C=C/CCC[C@]1(O)CCC[C@H](CCC)CC1	2009591697	IZAICHUDSDSNEK-TVKHYIBRSA-N	238.415	4.844	0	10	BJAE	
C/C=C/CCC[C@H](N)c1cccc2ccsc12	2009620173	SCFSDTRHCMRSHN-HSWBROFVSA-N	245.391	4.648	0	10	BJAE	
CCCC1CCC(NC2CC(CCC)C2)CC1	2009717030	CYJNXBKUVTXEEI-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
C=C=CCC[C@H](NCCC)C(CC)(CC)CC	2010986281	XIINBDWPBVADAT-HNNXBMFYSA-N	237.431	4.692	0	10	BJAE	
CC[C@@](CCCC(C)C)(CNC(C)C)C(C)C	2012413155	RIGJIXFZOUWTRM-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@@H](N)CC12CCC(CC1)CC2	2012825382	SEIVTUCRWRYAJP-HWOWSKLDSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1CCC[C@@H](CC)C1	2013265353	WBTJGSKWCNQXMN-PMPSAXMXSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2(C)CCCC2)cc1C	2014339219	SMAOKCZBTYSMDY-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
CC(C)C(C[C@@H](O)CCC1CCCC1)C(C)C	2015275410	POGPLTHZQFUQFY-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CCCC1(CN(CC(C)C)CC(C)C)CCC1	2015593699	PHMNZOOHYCHJJR-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1(C(C)(C)C)CCC1	2017124823	IPHXQSUEAZTZRX-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CNC12CCCCC2	2017314766	AOBJHGSAAOORCI-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)CC(C)=C(C)C	2017461094	FGQJGZZMYGRTOM-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)[C@H]1CC[C@H](CCC)CC1	2017654595	FQUANQXGQJMLSL-FPCVCCKLSA-N	240.431	4.780	0	10	BJAE	
CCC1(C[C@@H](O)[C@H]2CCCC(C)(C)CC2)CC1	2018967388	KPUPNMITMIOJQC-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@H]1CCCC(C)(C)C1=O)CC(C)(C)C	2020387913	FLXVTMAKHGRVOJ-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)C(=O)CC[C@H]1C[C@H]1C1CCCCC1	2022555740	AANYFGFFZVQYSL-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CCC[C@H]2CCCC[C@H]21	2022992834	LMCJMWYBJLWKTC-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCCC(C)(F)F)C(C)(C)CC	2023277592	AQUJDMXAMSUEIN-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H](C)c1ccc(F)cc1	2027023367	FIZVAHJTSHWVQN-AWEZNQCLSA-N	249.373	4.565	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H]1CC[C@H]2C[C@H]2CC1	2028974678	FWGBTBLJSMVEAO-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1ccc(C2CC2)cc1	2029071785	UXFDFQYSLYZIBW-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC(C)CCCC(=O)c1ccccc1C1CCC1	2029076983	DIIYMCOODZIDIW-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@]12CCCC[C@@H]1CCC2	2031806395	XPXZTLSYIZEEKC-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](Nc1cccc(C2(C)CC2)c1)[C@@H]1C[C@H]1C	2032243170	RFKQBLBPMHLYHU-WQVCFCJDSA-N	243.394	4.585	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C1=CCCCCCC1	2032299377	DQIZAPWRTPNRHP-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H]1CC12CCCC2	2036092830	DKZXBUPYXIQQJV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC2(CCCC2)C1)C1(C)CC1	2037587705	BSGJBIKKULQHBD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H]2CCCC[C@]23CCNC3)CCCCC1	2038649048	JQXSEVMIQKRMRD-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2C=CCCCC2)CCCCC1	2039849047	IKLVNDXUTVJFHM-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@]1(C)CC=CCC1	2042024781	PAHCRNHOGFMAMS-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@H](C)C1CCCCC1)[C@H]1CC=CCC1	2042030731	ONJRCLRHKVRJKV-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@@H]1CC12CCCCC2	2047063128	UBRBAHNLCJKEEA-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCCNC[C@@H]1C[C@@]12CCCCC21CCCCC1	2047561734	QMEJCBUCCRGRKS-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CCC12CCC2	2047962921	UGYJAQHTUQQXER-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CCN[C@@H](C1CC1)[C@@H]1CCCC2(CCCCC2)C1	2048128890	WSLIKLQEMOBCKC-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2[C@H]3CCCC[C@H]32)CC1	2048373536	DXAYKDLUNBXWLI-MIFYACCESA-N	248.410	4.598	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2[C@H]3CCCCC[C@H]32)CCCC1	2048441807	QTBXIANTRVCJLV-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CC([C@]2(N)CCCCC23CCCC3)C1	2048608418	OMXRIMKCQSPBHY-VMBOVVBDSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@]1(C)C=CCCC1	2049997588	OOHVYKZYXCCOIT-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@]1(CNC2CC2)CCCC12CC2	2053352954	XFESVBAIBPEPGK-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1C(=O)[C@H]1CCC[C@H]1C(C)C	2056452402	QYVCKJBUYHEOLH-HOCLYGCPSA-N	244.378	4.504	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)C1(C)CCC(C)CC1	2056553131	OVZZMFJFLFCZGP-JCCCHCCOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@@H]1C=CCCC1	2056880746	BJZSWQFUZAMSKO-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H]1C[C@@H]1C(C)(C)C	2056881153	CSAWNWISXOPDIN-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@]1(CNC)CCCCC12CCC2	2059252603	JRQOFDOTUREEGM-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CN[C@H](C1CC(=C2CCC2)C1)[C@@H](C)CCC(C)C	2061737954	XEKMNZCAOWTJFL-GUYCJALGSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCCC[C@H]1C[C@H]1C)c1ccco1	2062642216	OHSLBFZKZCHSGI-QLFBSQMISA-N	249.398	4.537	0	10	BJAE	
CC1(C[C@H](N)[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063510017	NIQBDBIQDSPQJT-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC(C(=O)CC3=CCCCC3)C2)C1	2063817807	NHBYKSBJFYHJCC-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
C[C@@H](N[C@@H](C1CCCC1)C1CC1)C1(C)CCCC1	2067518348	WKFCBBNBDIVGTP-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2C=CCCC2)CCC1(C)C	2068233079	LGTWVZSINUYJIY-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)c1c(C)cccc1C	2068837530	SQMYBJSYCRALRY-JKSUJKDBSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)c1cc(C)c(C)o1	2068911446	JFTNFZWDKRZFKN-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
CCCC1(C[C@@H](NCC)c2ccccc2)CCC1	2069342808	SKUNPTLZGYGJSJ-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCCC1(C[C@@H](N)C2CC3(C2)CC3(C)C)CCC1	2069343017	VOKQKHHSQZQXJD-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccc2c(c1)CCC2	2070399600	RNUBFCKORKZGGM-AWEZNQCLSA-N	243.394	4.722	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNC1CC2(CCCCCC2)C1	2071479255	OJYABRMZGYUNNF-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(N[C@H]2CC[C@H]2C2CCC2)CC1	2071788561	HNZIBKBCEKMNNS-KMZOKZLKSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1(CC(=O)C[C@@]23CCC[C@H]2C3)CCC1	2071915860	SSEZMCLKNILAHP-BBRMVZONSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1(CN[C@H]2CCCCC23CC3)CCC1	2071932553	GYEJARSCBDIWJT-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)c1cccc(C2CC2)c1	2072429822	SSSASJLQBCBVMS-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@]2(C)C=CCC2)CC1	2072879627	VXRJUKWXNKHLMW-DQPZFDDXSA-N	248.410	4.908	0	10	BJAE	
CCCCC[C@@](O)(CC)Cc1cc(C)ccc1C	2073340583	GRUYONLYNUKZLJ-KRWDZBQOSA-N	248.410	4.567	0	10	BJAE	
CCCN[C@H](C[C@@]12CCCC[C@@H]1C2)C1(C)CCC1	2074025857	QUKLHYZQZYQKFP-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)N(C)Cc1ccc(C(C)C)cc1	2075004470	HPOWHOLEYSVJHE-QGZVFWFLSA-N	247.426	4.821	0	10	BJAE	
O[C@]1(CCC2=CCCCC2)CC[C@@H]2CCCC[C@@H]21	2075720466	IMCRHFVKIUCQKP-YESZJQIVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1[C@@H](C[C@H]2C=CCC2)CCCC1(C)C	2076399515	BWCOJGSWBBBZMK-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H]1CCCCC12CCC2	2077198168	YJKUXLUVPBTVQD-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2C[C@H]3CCCC[C@H]32)c1	2077264991	GXRZHBLXQJGZAB-FRFSOERESA-N	241.378	4.555	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@H]1C[C@@H]1C(C)C	2079429657	YGOHSQCYKDUIDM-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(OC[C@@H]2C[C@@H]2C2CCCCC2)cc1	2079803041	LZPDEVSKOXUXQQ-DOTOQJQBSA-N	244.378	4.590	0	10	BJAE	
O=C(CC[C@H]1C[C@H]1C1CCCC1)CC1CCCC1	2079867909	WHRRGTRZPJQSCC-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)Cc1cccc(C)c1C	2082955110	AMIXKHJIGRCIBV-OAHLLOKOSA-N	247.426	4.560	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)[C@H]2C=CCCC2)c1	2083542690	ZJYZUZFFYDUYHL-ZDUSSCGKSA-N	242.362	4.523	0	10	BJAE	
CCCCCCc1ccc(C(=O)CCC)s1	2210512077	ZKAMBYOSPRMHHJ-UHFFFAOYSA-N	238.396	4.854	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1sc(C)c(C)c1C	2211701807	DRJFNPRQMCNEAT-BDAKNGLRSA-N	238.396	4.538	0	10	BJAE	
CC[C@H](C)NC[C@H](C)CCCCCC(C)C	2212583216	DGYZAMJEWZWGNP-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H]2CC[C@H]2C)CC1	2214947402	BJPOGKKAFPNVEI-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)C(C)(C)C1CCCC1	2215341626	MGVMWURDZQYCCU-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1([C@@](C)(N)CCCCCCCC2CC2)CC1	2216882732	BYKMNUUPKMQAPC-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)NCC1(C2CCCCC2)CCCC1	2217151707	YCILJUZQZUDZFK-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218309822	PFQDDHUPKPYRAN-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
N[C@@H]1CCCCC[C@@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218357709	SEBADABXJFICRF-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@@H]1CCC12CCC2	2220024635	HTFJOLPDRNZYKN-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCCC1CC1)c1cccc(C2CC2)c1	2220025854	SNBDACMNXUKDKE-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CC(C)(C)c1ccccc1OCCCCC1CC1	2220048970	YHQWKXSJSQMAKL-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@@H](N)c1ccc(C(C)C)cc1	2220964136	VMIPEWLXEMCZDN-IAOVAPTHSA-N	245.410	4.636	0	10	BJAE	
Cc1cccc(OCC2(C)CC3(CCC3)C2)c1C	2221076168	OIEYPKBMQZZSLT-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CN(CCCCCC1CC1)C[C@]1(C)CC=CCC1	2221602478	RMAGDXFYIGIMPH-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@]1(C)CC=C(C)CC1	2221617877	DGTGSXZYZBDVMN-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C(CCCCCCC1CC1)=C1CCNC12CCC2	2223132606	LWVAVHXVUDQMJW-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CCCC2)CCCC12CC2	2223601236	WENGFWDTFUFYBN-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@@H](C)c1ccc(C)cc1	2223966533	ABHMDBSMTWCONO-GOEBONIOSA-N	247.426	4.513	0	10	BJAE	
CC1CC(C)(C[C@@H](N)CC2CCCCCC2)C1	2246586055	PKKRSLCUHMSGGM-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)N(C)CC[C@H]1CCC[C@@H](C)C1	2246663622	GAMJWKRCQXQHRJ-OAGGEKHMSA-N	239.447	4.713	0	10	BJAE	
Cc1cccc(C)c1NCCCC[C@@H]1C[C@H]1C	2247099890	WGYQWZMQEHLLTD-HUUCEWRRSA-N	231.383	4.542	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@H]1CCC12CCC2	2247415676	GMKLUGSFWUABHQ-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H]1CC[C@H](N)CC1CCCCC1	2247430920	HDPTVNXCZARCKH-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@](C)(N)C1CCCC1	2248856071	VANARBMVLMOMMK-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)[C@H](C)CCC(C)C	2250354526	DQGMHQBSMWDKKX-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@H](C)CC(C)C	2250493164	ZFPOKTDXMPYPSC-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(O)C1(C)CC1	2250496810	VXWJONDWRDMFMO-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCN(CC[C@@H](C)CCCC(C)C)CC1CC1	2250520235	QWEBDZQBHZIGKD-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
C1=C[C@@H](Cc2cccc(C3CCCC3)c2)CC1	2251253107	ISNBFJOGWQMQDZ-CQSZACIVSA-N	226.363	4.853	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)c1ccc2ccsc2c1	2253090047	QROCXFHEEKOHHG-GWCFXTLKSA-N	244.359	4.520	0	10	BJAE	
C[C@H](C=C1CN[C@@H]2CCCC[C@@H]2C1)CC(C)(C)C	2253816395	WSOQUCSPSNGMFB-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1[C@@](C)(N)CC[C@@H]1CCCCC12CC2	2253844326	QUGPSGCAJAZVBY-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@@H]2CCC3(CC3)C2)C1	2253922675	PLOZIMQSCMASKP-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCCNCc1cc(CC(C)C)cc(C(C)C)c1	2254717085	KFLJAFSCDQRYKR-UHFFFAOYSA-N	247.426	4.508	0	10	BJAE	
CCc1ccc(NC[C@H]2CCC23CCC3)cc1C	2254967864	HJOWSWMZHOZVGA-OAHLLOKOSA-N	243.394	4.550	0	10	BJAE	
CCN[C@H]1C[C@H](CC2=CCCCC2)C[C@@H](CC)C1	2255094401	APETXIVZGZWJIU-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC[C@H]1CCCC12CC2)C1(C)CCCC1	2255290819	JTPUSSGOROFWPA-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC[C@H]1CCCC12CC2)CC1CCCC1	2255292248	WASUBGOCGGCEBI-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H]2C=CCCC2)cc1	2256238242	FRKQTZHWMJQUIC-HNNXBMFYSA-N	242.362	4.568	0	10	BJAE	
CC=CCCC[C@@H](NC)c1ccc(CCC)cc1	2256291222	AQRUWLSILWJVEN-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1(N)CC(C2CCC2)C1	2257311122	KXBQCJJOFVVDST-PMRDFSHISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN(C)C1CCC=CCC1	2257964801	ZLMQEIIAPJOFME-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1C[C@@H]1c1ccccc1	2259445226	ADYQKVMNCXMHHO-NUEKZKHPSA-N	244.378	4.576	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@]12CCC[C@H]1CC2	2260580966	YDLZBPISJDCMNC-RDJZCZTQSA-N	239.362	4.530	0	10	BJAE	
C[C@@H](Nc1cccc(C2CCCC2)c1)C1(F)CC1	2260730816	MTEGGDNZXCAIBM-GFCCVEGCSA-N	247.357	4.647	0	10	BJAE	
Clc1ccc(C2CC2)cc1NC[C@H]1C=CCC1	2300669328	HZLFPUJUPBQZMK-NSHDSACASA-N	247.769	4.596	0	10	BJAE	
CCCC=CCNc1cc(F)ccc1C(F)F	2300828363	LCBOEGMILGWIGD-UHFFFAOYSA-N	243.272	4.532	0	10	BJAE	
CC(=CC[C@@H](O)[C@H]1CC1(C)C)CCCC(C)C	2300866133	WYDZNKFRJMKEBV-HUUCEWRRSA-N	238.415	4.556	0	10	BJAE	
CCC(C)=CC[C@@H](N)[C@H]1CCCC(C)(C)CC1	2300874119	GZHPGZRJBWWOBO-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
CC(=CCC(=O)c1ccco1)CCCC(C)C	2300909342	NDXDPTHUIQRORN-UHFFFAOYSA-N	234.339	4.625	0	10	BJAE	
CCC[C@@H](C(=O)CC1CCCCCC1)C(C)C	2301144925	JBUMGWVZAXJXFX-OAHLLOKOSA-N	238.415	4.988	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H]1CCCCCCCC1=O	2301835276	FBKDGWAZBBQXRG-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CC[C@]1(C)CCCN([C@H](C)[C@@H](C)C(C)C)CC1	2301970407	GFVHINZXGPDNEH-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@H]2C[C@@H]3CC[C@@H]3C2)n1	2302262234	JWRDZHLUTDQNAQ-WRWGMCAJSA-N	247.407	4.560	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)CCCCC2CC2)C1	2302570541	ZVKGWOVBQMMNQV-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@H]1CCC(C)(C)C1)C(C)(C)C	2302673472	XXHNQXWESQAFQX-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(O)(C[C@H]2CCC(C)(C)C2)CC1	2302723684	VPEAIPILAAEZGE-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@H]1CC[C@H]1C(C)(C)C	2303363110	DIPQHMNGZKGHJD-MJBXVCDLSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CC[C@H]1C(C)(C)C	2303396628	BFXJSSURJALYAK-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC(=O)C1CCCCC1	2303469838	HEGBNCUYVSZHRF-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303470167	IHVWHBLLYYCLCY-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)NC[C@@H]1CCC(C)=C(C)C1	2303593098	SIWDFLVSKIJNCZ-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC[C@@H]1C[C@H]1CC	2303617422	KJQXHSQACVMLQC-RBSFLKMASA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](O)C2(C)CCCC2)C1	2304399227	LBFPSPVNJQPDCJ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](CN)(CC[C@@H]1CCC(C)(C)C1)C(C)C	2304413572	WDLGQKINEMFLPK-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
CC(C)c1cccc(NC[C@@H](C)C(C)C)c1F	2307559402	NOQDCKCCIMXEET-GFCCVEGCSA-N	237.362	4.653	0	10	BJAE	
CCCCCCc1cccc(CC(F)(F)F)c1	2307668945	YJEDFMGWMSXQPV-UHFFFAOYSA-N	244.300	4.914	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CN)CCC=CCCC1	2307834064	GXNVHWRRYYYCKX-CVEARBPZSA-N	237.431	4.668	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1CC(C(C)(C)C)C1	2307911667	XCAFAPUFQGJABR-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@H](O)c1c(C)cc(C)cc1C	2316235311	JGZISADWGZUCPU-INIZCTEOSA-N	248.410	4.862	0	10	BJAE	
CCC(CC)CC[C@H](O)c1cccc2ccoc12	2316245072	FINFNHPQLFLZKU-HNNXBMFYSA-N	246.350	4.683	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@H](C)CC=C(C)CC	2316539403	JRKRIEKSAXSIDN-NVXWUHKLSA-N	245.410	4.720	0	10	BJAE	
CCCC[C@@]1(CNC(C)C)C[C@H]2C=C[C@H]1CCC2	2316653759	OEGKMYWQQMWWJP-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H]1C[C@H]2CCC[C@H]1CC2	2316696806	DHJDWWQRCYNDHS-HJWJTTGWSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCCC1)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317159690	WILFTHBUVMTTLP-BZUAXINKSA-N	246.394	4.518	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@@H]1CCC(C)(C)C1	2319131708	RGMKRDCUQDULPI-DZKIICNBSA-N	248.410	4.764	0	10	BJAE	
CCc1ccccc1C(=O)C[C@@H]1CCC(C)(C)C1	2319293759	UOAMFPLREUPGQY-ZDUSSCGKSA-N	244.378	4.648	0	10	BJAE	
CCCC1([C@@H](N)CC[C@H]2CC[C@@H]2C2CC2)CCC1	2319735724	YZSDVRGFLUXCAI-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC[C@@H]1CC[C@H]1C1CC1	2319738376	PPGZLMUMRCBEQA-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(N)(CC[C@@H]2CC[C@H]2C2CC2)CC1	2319741517	QGEOGFPWPYJJCV-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1[C@@H](N(C)CCCC2=CCCCC2)CC1(C)C	2319879938	CEXBBTXSWBUTMU-HOCLYGCPSA-N	249.442	4.633	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CC[C@H]1C(C)(C)C	2320218054	SSLLILZDMXXNCG-HUUCEWRRSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320223251	BNZMHSKENRJACY-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](C=C(C)[C@H]2CC[C@H](N)CC2)CC1	2320326810	IBRQOTUSNKBMFW-ULQDDVLXSA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CC(C)(C)CC[C@@H]2C)CC1	2320408088	HKHMZLYPMBQLJO-IMJJTQAJSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2CC(C3CC3)C2)CC1	2320409603	WJEHIDDEAGGRPI-JEYLPNPQSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)c1cccc(C(C)C)c1	2320575496	AONZRBZQMARLFR-ZBFHGGJFSA-N	244.378	4.819	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](N)(CC1CC1)C1CC1	2320629666	WEIBJPOIQKESEZ-KMFMINBZSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCCC[C@H]2CC)c1	2321083749	BVPULTGYIIBKMF-CJNGLKHVSA-N	249.373	4.769	0	10	BJAE	
CCC[C@H](CC)CCC[C@@H](NC)c1ccccc1	2328283337	WLJPKGXGGYEAEB-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
Cc1c(Cl)c(Cl)cc(Cl)c1Cl	2011443	ZOXPZFFPPKVNEA-UHFFFAOYSA-N	229.921	4.609	0	10	BJAE	in-vitro
c1ccc2c(-c3ccsc3)cccc2c1	2392358	MGZVYTRKIKFZSN-UHFFFAOYSA-N	210.301	4.568	0	10	BJAE	
FC(F)(F)Sc1ccc(Cl)c(Cl)c1	2529886	NWCWECNQCYHESP-UHFFFAOYSA-N	247.068	4.605	0	10	BJAE	
Cc1ccc([C@H](N)CCC2CCCCC2)c(C)c1	19999094	MMQNKHPSLUPJEK-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CC(C)C[C@@H](N[C@@H](C)C1(C)CC1)c1ccccc1	37508925	IBKJUBRHXFIYIU-GOEBONIOSA-N	245.410	4.552	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1ccccc1	38339954	BXDYPFZPBRBYLA-DJIMGWMZSA-N	246.394	4.664	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1cccs1	43456179	KSUBFCRWLKYCFN-NSHDSACASA-N	224.369	4.537	0	10	BJAE	
Cc1cc2ccc(Cl)c(Cl)c2nc1Cl	63116288	JMDVROARXOWGCH-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCCCCCc1ccc([C@H](O)CC(C)C)cc1	74370203	UZTRRZZRLBVYKV-QGZVFWFLSA-N	248.410	4.889	0	10	BJAE	
CC[C@H]1CCC[C@H](Oc2cccc(Cl)c2)C1	85150674	LZEPHTDYDCQOAT-AAEUAGOBSA-N	238.758	4.688	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2c(C)cccc2Cl)C1	85387981	AAJIKSLYLQGQCB-VXGBXAGGSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1Cc2ccccc21	86487002	LCNYEJUTYBCAOY-BBRMVZONSA-N	244.378	4.502	0	10	BJAE	
CCCC1CCC([C@@H](CCC(C)C)NC)CC1	87963238	MPICBIJQLFSBBZ-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1C[C@H]2CC[C@@H]1C2	93525277	WQKTVSPLNIJZDD-ZNMIVQPWSA-N	244.378	4.625	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCC2(C)C)cc1	94303050	OJFLPHYWVGRXCV-OAHLLOKOSA-N	231.383	4.801	0	10	BJAE	
CCCCC1CCC(CO)(C(CC)CC)CC1	94679446	NJUXPMYQRMOXPX-UHFFFAOYSA-N	240.431	4.782	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H](C)c2ccoc2)cc1	94867979	GZSUGMYLGYMRCA-STQMWFEESA-N	243.350	4.966	0	10	BJAE	
CC[C@H](C)c1ccc(-c2ccccc2C=O)cc1	109777451	GYNRIXJFRHETMN-ZDUSSCGKSA-N	238.330	4.680	0	10	BJAE	
CCCC[C@H](C)Nc1cc(C)nc2ccccc12	110385339	VMOIXNNTLGRMBH-LBPRGKRZSA-N	242.366	4.534	0	10	BJAE	
CCCCC[C@@H](NCC)C(C)(C)c1ccccc1	112899514	OYUPABXBWIZKLD-MRXNPFEDSA-N	247.426	4.523	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1)c1ccccc1F	122469068	DWEZIEVGOCULCT-MRXNPFEDSA-N	243.325	4.697	0	10	BJAE	
Cc1cc(C)c([C@@H](C)N[C@@H](C)C(C)(C)C)c(C)c1	122606781	UXLLFXBLZXGBPU-CABCVRRESA-N	247.426	4.697	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@@H](C)CC(C)(C)C	124237741	ZMOYUAGQWRIOFG-OCCSQVGLSA-N	228.420	4.636	0	10	BJAE	
CCC1CCC([C@H](C)[C@@H](O)c2ccccc2)CC1	129033070	FVKDUHCRXATKKX-PBMMVSLJSA-N	246.394	4.573	0	10	BJAE	
CN[C@@H](CCC(C)C)c1cc2ccccc2s1	158755375	LWRBEGRRANPDLT-ZDUSSCGKSA-N	247.407	4.598	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)CC(CC)CC	161370283	KJAMQZUIILCZNY-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC1CC(N[C@H]2CCCC[C@H]2C2CCCCC2)C1	163656554	DXWJBBUTHIFDAY-KMZOKZLKSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H]1CC[C@](C)(CC2CCCCC2)C1	164786456	SRQRREKRGAQGKF-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCCC)c1ccoc1	164949128	ZMBZENXCNYGKHJ-DZGCQCFKSA-N	237.387	4.537	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C2=CCCCCC2)cc1	203422520	BPPOMRUXUXWTDO-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
FCC1(c2ccccc2Cl)CCCCC1	220501473	YVIKUUQEHSGEAI-UHFFFAOYSA-N	226.722	4.511	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](CCCC(C)C)NC	229173989	MQJJHBPTOANWGZ-IAGOWNOFSA-N	247.426	4.595	0	10	BJAE	
Cc1cc(C=O)c(C)n1CCCCCCC(C)C	232544220	MVONWVNAFIGDCS-UHFFFAOYSA-N	249.398	4.524	0	10	BJAE	
CCCCC[C@H](C)[C@H]1CNc2ccc(F)cc21	232980600	KVXVNXUTJACDER-SMDDNHRTSA-N	235.346	4.551	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	252216447	XUXVYOVPLUKOSX-HHARLNAUSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](Nc1cc(C)c(F)cc1Cl)C(C)C	304372627	OVAUGNMDZVTVOB-LBPRGKRZSA-N	243.753	4.634	0	10	BJAE	
Cc1ccc2ccn([C@@H]3CCC[C@@H](C)C3)c2c1	305668860	RIRXOPMFQSPLLE-IUODEOHRSA-N	227.351	4.701	0	10	BJAE	
Cc1ccc2ccn([C@@H]3CC[C@H](C)[C@@H](C)C3)c2c1	305668876	XKRRBIYJKTXHLQ-OFQRWUPVSA-N	241.378	4.947	0	10	BJAE	
Fc1cc2cc(C(F)F)sc2cc1Cl	307434871	PMZGXLCNTKLRDQ-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CCC1CC1)NCC	308044897	FSOMSQPCGYAWTG-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCn1ccc2cc(F)ccc21	309995265	RGPJYRJQVNOJJD-UHFFFAOYSA-N	233.330	4.607	0	10	BJAE	
C[C@@H](CC(=O)C1(C)CCCC1)C1CCCCC1	310477221	KNUKKNCIBWCJPS-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1ccc(C(C)(C)C)cc1	310689814	PMWRFOBYSWMUJS-CYBMUJFWSA-N	246.394	4.849	0	10	BJAE	
CCC[C@H](CCc1ccccc1C(C)C)NCC	310856806	PLSBWZNSOAOQGK-MRXNPFEDSA-N	247.426	4.521	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@@H]1CCCC1(C)C	311121032	XNYXTUFPXNZUAF-JKSUJKDBSA-N	246.394	4.670	0	10	BJAE	
CCCNCC1(CC2(CC)CCC2)CCCC1	317429190	WAUWCCNPUUNRFR-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC)([C@@H]2C=CCCCCC2)C1	317552566	MFGWVGPKUVXZOA-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC(C)C[C@@]1(CNC(C)(C)C)CCC[C@@H](C)C1	317939430	NIDPQOIOYJSOKI-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC[C@@H](C)C2)C1	379759125	CQQXQSBUIIVDKO-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CC1CCC(C)(C)CC1	379761083	DPEUCYVJPJEYTA-DZGCQCFKSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1c(C)c(C)cc(C)c1C	380722297	HDTITOAPTAEDBF-PIGZYNQJSA-N	248.410	4.780	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CC3CCC2CC3)cc1	382002446	LYXOGEYBDRYBSM-PGEKIEPBSA-N	243.394	4.801	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1ccccc1C(C)C	383267794	IWJIRBCFLDPOTB-HNNXBMFYSA-N	233.399	4.507	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C1(CCC)CC1	383474746	QNJOTLREUOBNOX-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(C)c1OCC1CCC(C)CC1	383533966	RVYQLTSTEQFWKC-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](O)CC1CCCCC1	383892665	VCDBSQVMLREUCK-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H]1CCCC[C@@H]1C	384499920	CAUOGBCORQGORI-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1(CN[C@@H]2CCC23CCCCC3)CC1	391901576	KDYIDNLLQHJROR-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(NCC[C@@H](C)CC)cc1	394465539	WEHJLNYPGSCZQV-AWEZNQCLSA-N	233.399	4.877	0	10	BJAE	
Cc1cc(F)ccc1NCC1(C)CCCCC1	394584447	ZOHFXPGXZZNPDF-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@H]1CCC[C@H](C)C1	395130143	QVSHYDAKGFUKSG-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CSc1cc2cc(F)sc2cc1C(F)F	396237378	JCWQUODSFSMFFB-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C[C@H]1CC=CCC1	402346777	QEEGDYBPZBJPAH-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(NCCCC2CC2)cc(C)c1Cl	690303394	YWYXGQXHGDYYBT-UHFFFAOYSA-N	237.774	4.559	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCCCC[C@H]1C(C)C	691164719	JFRWXTPCYDDBJZ-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCCC1(CN[C@@H]2CCCCC[C@@H]2CC)CC1	691185655	KZSCNNCDUZQUQJ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H]2CC3CCC2CC3)c1	691658679	OFWMGHHCGZCAKI-GPANFISMSA-N	244.378	4.509	0	10	BJAE	
CC1([C@@H](O)c2ccc3sccc3c2)CCCC1	691862662	KSNQCKVTOHSEOP-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CCCCCC[C@@H](CN)C1CCCCCC1	696829453	DGYVROFMBAOZLG-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
Cc1ccc(-c2ccccc2C2CCC2)c(O)c1	699715989	CCURDCHPACOUAT-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)C1CC2(CCC2)C1	700920119	LPQOHWMEEAJZJX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@H](O)C(CC)(CC)c1ccccc1	701095134	MORQMXRUIYKLTL-HNNXBMFYSA-N	248.410	4.542	0	10	BJAE	
CCC(C)(CC)[C@H](N)C1(CC(C)C)CCCC1	701253088	OKFQPEWJCGINQH-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)CC1CCC1	704930503	FSSPZTBVEGKDFK-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](Cc1cccc2c1CCCN2)CC(C)(C)C	709163272	ZIVQMMLXAHEADA-ZDUSSCGKSA-N	245.410	4.660	0	10	BJAE	
C[C@H](C[C@H](N)[C@H](C)CC(C)(C)C)CC(C)(C)C	709199783	NJUJOHLPBNGEON-MCIONIFRSA-N	241.463	4.848	0	10	BJAE	
CC(C)[C@H](CNC(C)(C)C)C[C@H](C)C(C)(C)C	711176728	SVMAAIVCNCWOTD-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC[C@@H]2CCCC[C@H]2N1	712351713	IFBPSZNWVJCGOP-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C[C@@H](O)CC(C)(C)CC)C(C)(C)C	713216119	FQJHTOXVNIYVBE-CHWSQXEVSA-N	228.420	4.636	0	10	BJAE	
C=C/C=C\CCN[C@@H](CCCC)c1ccccc1	713494898	DRCILBFYSRVUHA-WVRJYTFGSA-N	243.394	4.640	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@@H]1CCC[C@@H](C)C1	713745620	LHPPPPOMJRZJSR-QUWVXFTRSA-N	249.442	4.703	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C(CC)CC	718573887	REYBDBUJXNPXFF-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCC1(CN[C@H]2CCCCCC2(C)C)CCC1	719289015	COUHKVWRBYFJCS-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CN[C@H]2CCCCCC2(C)C)CC1	719294475	ULBULSKOGOWODH-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
O[C@H](CCCC1CC1)c1ccccc1C1CCC1	720170572	GBZIPWTULZEBDI-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCCC[C@H](NCC)c1cscc1C(F)F	720339993	SFALLBNOQGJFMX-NSHDSACASA-N	247.354	4.527	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cccc(C(C)C)c1	721724404	BDWFCDGWBNYGEJ-OAHLLOKOSA-N	234.383	4.670	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1CC(C)(C)C1	723574741	ULCDUQJIOCISNH-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CSc1ccccc1N[C@H]1CCCC2(CC2)C1	723603918	ONCNYUHGPVCNMW-LBPRGKRZSA-N	247.407	4.543	0	10	BJAE	
C=C/C=C/CCSc1ccc(Cl)c(F)c1	1473056328	SPILDANQGIGZOY-ONEGZZNKSA-N	242.746	4.704	0	10	BJAE	
CCCC[C@H](CC)CN1CC=CC12CCCCC2	1648653358	FRPITAWRACZRHX-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCCC(C)(C)C1	1652221451	YRMXECZUFGKUIH-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)Nc1c(C)cc(Cl)cc1Cl	1900247633	DKSPYHBCVKTVBD-QMMMGPOBSA-N	232.154	4.512	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CCCCC1CC1	1900594099	JOSKUBYSXPXYNX-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC=C(C)CC	1900882999	BPHJSQWQPQHOCG-CABCVRRESA-N	225.420	4.667	0	10	BJAE	
CCC(C)=CCCC(=O)c1ccc(Cl)cc1	1900889729	LVLKPQRMZPFLJN-UHFFFAOYSA-N	236.742	4.659	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC1CCCCCC1	1901102077	KHGQNSIUCSFQND-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)Cc1ccc2ccccc2c1F	1901921020	KFVFULUMMYVLNP-UHFFFAOYSA-N	216.299	4.568	0	10	BJAE	
CC1CCC(C)(C(=O)CCC[C@@H]2C[C@H]2C)CC1	1908544801	JVYZTDKOGULFIA-MYMJJRTCSA-N	236.399	4.598	0	10	BJAE	
CCSc1ccccc1NCCC[C@@H]1C[C@@H]1C	1908572501	VNIWTDPHKPZPOK-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@]23CCCC[C@@H]2C3)s1	1909923102	QNQZFVQEIGNNPS-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
C=CC=CCCN[C@H](CC)c1cccc(Cl)c1	1911926878	YZQHNMLUMIGXIM-OAHLLOKOSA-N	249.785	4.513	0	10	BJAE	
CCCCC[C@@H]1CCCCCCCC[C@H]1O	1913398456	PTWXPJSGNNIDSA-HUUCEWRRSA-N	226.404	4.678	0	10	BJAE	
CCCC1CC([C@H](N)C[C@H](C)CC(C)(C)C)C1	1921272753	PFBONRQHKRUNLL-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
CCC1(C[C@@]2(CNC)CCCC23CCC3)CCC1	1921586048	KYMUMYHPEITSJW-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
Fc1cccc(F)c1CC[C@H]1C=CCCCC1	1925825442	UCXYMQVJYMZRNF-LBPRGKRZSA-N	236.305	4.644	0	10	BJAE	
CCN[C@H](CC[C@@H]1C=CCCCC1)C1CCCC1	1925886432	DPVYOUMZIAFNGH-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)C[C@@H]1C=CCCCC1	1925949482	RQYFBIFDUQKZRW-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1C[C@H]1CC	1925949880	VPQVOMUDZMDAPT-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCNCC[C@H]1CCC[C@@H](C)C1	1926159489	LOSJMUIDPNVNOH-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC(=O)c1cccc(C(F)F)c1	1926173233	CTEJMYVYHHLOBI-UHFFFAOYSA-N	240.293	4.633	0	10	BJAE	
CCC(CC)C[C@H](O)c1cccc(C2CCC2)c1	1926379560	IKLSMIFBRQOUAX-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CCCCCC[C@H](C)Nc1cc(Cl)ccn1	1935602854	WOSKBHPOOMQYDC-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2CCC(C)(C)C2)n1	1938014345	XZFBCDCLMKXZAZ-QWRGUYRKSA-N	237.412	4.950	0	10	BJAE	
CCCCCC(=O)[C@H]1CCCC(C)(C)CC1	1939900794	QWOCXGHCJOPKQP-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CC1(C)CCCCC1	1940409593	ORFOXOQGNAZTRZ-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CC1)CC(C)(C)CC	1940707818	ZVXHAGMVPDABQA-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)C1CCC(N)CC1	1940978197	XJNBGFBLAZCFCV-FXQLRMTLSA-N	239.447	4.747	0	10	BJAE	
C[C@H](O)CC(C)(C)C1CCC(C(C)(C)C)CC1	1941154246	GVAMVTCVWUNXDJ-HSBZDZAISA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)CCCC1CCC1	1941246920	YRRCSQUILCKDNW-HZPDHXFCSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)[C@H]1CCC[C@H](CC)C1	1941251680	MDBXMFCVXSEYAG-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C(=O)c1cccc(CC)c1)C(C)C	1941265581	WPZMZVBHNDHHFW-OAHLLOKOSA-N	232.367	4.504	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CC1(C)C)C1CCCCC1	1944743325	CMVSHLYKLAAQGG-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C[C@@H]2CCC[C@H]2C)CC1	1944821183	VZTXHYMGGPGBIQ-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](NC1CC2(CCC2)C1)c1cccs1	1946636656	YJRYFTDMCKVIOG-CYBMUJFWSA-N	249.423	4.512	0	10	BJAE	
CCCN[C@@H](CC(C)(C)F)CC(C)(C)C(C)C	1947084769	RQCNLBBFSFJWCZ-CYBMUJFWSA-N	245.426	4.565	0	10	BJAE	
CCCCCC[C@@H](C)NCC1CC(C)(CC)C1	1948406258	XXWPSPHLYNGIHH-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@H]1CCC[C@@H](C)C1	1948933024	SCJBDZKPFIFQFG-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)N(C)CC1C[C@H](C)C[C@@H](C)C1	1964202126	GNMFNBBIKOEAKY-KFWWJZLASA-N	239.447	4.569	0	10	BJAE	
CCC1(CN[C@@H]2CC[C@H]3CCCC[C@H]32)CCCC1	1965922182	AVQUPZSBIFPLDA-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H]2CCCCC23CC3)C1	1972730398	XFYIJTVRORZAKX-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCC(CC)C[C@](C)(N)C1(C)CCCCC1	1975576396	XCEUINIUAJNZQZ-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCC(=O)c1ccc(C2CC2)s1	1978425032	OTMCTOMTSWFGBN-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CC(C)C(CCC(=O)c1ccsc1)C(C)C	1988296967	BGKJZVUNJDSECC-UHFFFAOYSA-N	238.396	4.639	0	10	BJAE	
CC(C)CCCC(=O)CC1(C(C)C)CCC1	1989448686	VTFVJEVJCQPFFL-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
COc1ccc(Cl)c(CCC(C)=C(C)C)c1	1993943013	XFVSOPKLOBKSSQ-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
CCCNCC(C)(C)C[C@@H]1CCC=CCCC1	1999990837	MWJNCSLFLSRENF-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1CCCC(F)(F)C1	2000105497	KSPOPUHKTDROGZ-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CC(=C1CCCC(C)(C)C1)c1ccc(N)cc1	2000147186	BBRHYYNOWVPRBO-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
CCCC[C@](C)(CNCC(C)C)[C@H](C)C(C)C	2000510868	FEMGWBVMGLGPRN-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@@](C)(CCCCF)CNCC(C)C	2000524346	XWDYKLPQCOOYRU-HNNXBMFYSA-N	245.426	4.568	0	10	BJAE	
CCN(CCCCCC1CC1)C1CCCCC1	2000906929	TVNSWJUQNYOXST-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC[C@@H](C[C@@H]1CC12CCCC2)NCCC	2001219978	RKHCYBHUDZQPTN-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CCN(C)C1CCCCCCC1	2003171524	XRWZUYIABYRHGW-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CC1(C[C@@H](N)c2sccc2C2CC2)CCCC1	2003179226	MFGGZFTULBKICI-CYBMUJFWSA-N	249.423	4.596	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CCC2(CC2)C1)NCC	2003222132	UZWLFANVOJDDHJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1CCC2(CC1)CC2	2003286842	GGPQLRHFWXISEX-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCCN(C)C1CCC2(CCCCC2)CC1	2004362875	KRJUEMPEBVFVQF-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC(CC)C[C@H](O)C1(C)CCCCCCC1	2004920162	HMVPLXRQCNTDJN-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCCC(CCC)NC[C@H]1CCCCC12CC2	2005610157	PLTACXIEBHHKBW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)c1csc(C)c1	2007944090	FQHKQHXHXCSSBQ-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(O)CCC1(C)CC1	2009548041	MNOXHZQWOZVMBX-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H]1CCCC(C)(C)C1	2009591046	IIWAHOIVJXPXLA-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)C1CCC(C(=O)CCC2(C)CC2)CC1	2009612353	UWJMCUYQSQGHIX-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCCC1CC(NCC[C@@H](C)CCC)C1	2009717438	JMRREAJTXDCKTM-FHERZECASA-N	239.447	4.761	0	10	BJAE	
C=C=CCCC(=O)C1CCC(CCCC)CC1	2010981646	YRCMVWVRIKBFNW-UHFFFAOYSA-N	234.383	4.673	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@H](C)CC(C)(C)C	2010985380	OBKPAAFYPKZTED-HUUCEWRRSA-N	237.431	4.548	0	10	BJAE	
CCCCCCC(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2012009652	RQLIDQIYFZKONH-QKDCVEJESA-N	236.399	4.742	0	10	BJAE	
CC[C@](CNC)(C[C@H](C)CC(C)(C)C)C(C)C	2012422167	TTWPLUQLZNJJGG-GDBMZVCRSA-N	241.463	4.721	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC[C@H](C(C)C)N1	2013524704	OIVPDEYTNGEAAR-JKSUJKDBSA-N	239.447	4.760	0	10	BJAE	
CCCC1(C[C@H](C)C2CCC(N)CC2)CCC1	2015642806	UXHITMHRTKXHMI-NFOMZHRRSA-N	237.431	4.501	0	10	BJAE	
c1cc(NC[C@@]23CCC[C@H]2C3)c2sccc2c1	2016320976	ZRCCRQKPZILFJX-WFASDCNBSA-N	243.375	4.503	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@]1(C)C[C@H]1C	2016467747	MDUBJUIAFXPKMQ-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC(C)C1(C[C@H]2CCC(C)(C)CC2=O)CCC1	2017128275	AICOYMQFZMTGEM-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)C1(C(C)(C)C)CCC1	2017133443	RRUUHPVIWMKSMZ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(C[C@@H](C(C)C)[C@H](C)N)CC1	2017730305	GLKKBOJJYCVERT-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C[C@H]1CC[C@H](C)CC1)c1ccc(N)cc1	2017735807	GJVNCZPOMNAXOU-IHRRRGAJSA-N	231.383	4.589	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@]12CCCC[C@H]1C2	2018570796	BJVMNCZKTNPVGN-ARFHVFGLSA-N	238.415	4.678	0	10	BJAE	
CCC1(CC(=O)C(C)(C)C2CCCCC2)CC1	2018957518	QXHNSQHYNGIUHZ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H]1CCCCC[C@@H]1C	2019378649	YRESDGVFQFOZPM-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CC(C)CC[C@H](C)N(CC(C)C)C1CCCC1	2019406392	GVAQFGOIZQTRHT-HNNXBMFYSA-N	239.447	4.712	0	10	BJAE	
CCCCN(C1CCC1)[C@@H]1CCCC[C@H]1CC	2020635390	LTMCJBHBYXFOOS-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@H]1C[C@@H]1C(C)(C)C	2022448043	KPAHEPZIFMKIHQ-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C2(C)CCCC2)C1	2024100451	CPHGMHLFKOLDGW-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC1(C)CCCC1	2026145549	QEMNFZNLBIXAHM-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CC[C@H](c2nc(CC3(C)CC3)cs2)C1	2026541621	WZUUHQBQQFDANT-NSHDSACASA-N	249.423	4.779	0	10	BJAE	
CCCc1ccccc1NCCC[C@@H]1CC1(C)C	2027824339	ZRQNOTONJDSMNS-OAHLLOKOSA-N	245.410	4.877	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1ccc(C2CC2)cc1	2028591068	POCRPNNKIXBKMS-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1ccc(C2CC2)cc1	2028598222	OMQPGZLRJVRXAG-IRXDYDNUSA-N	246.394	4.670	0	10	BJAE	
CN[C@H](c1ccccc1C1CC1)[C@H](C)C(C)(C)C	2028615058	QKBFZEAMVLXDHD-LRDDRELGSA-N	245.410	4.507	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@H]1CC2CCC1CC2	2028633817	LUKPIOUYSFHYPZ-SJJHQCBESA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](N)c1ccccc1C1CCC1	2029070471	PLHGUCFVSQQLQT-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
C[C@H]1CCC[C@H](NCC2(C3CCCC3)CC2)CC1	2029738580	TYMOQJJWQPUXNC-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC2(C3CCCC3)CC2)CC1	2029738581	TYMOQJJWQPUXNC-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)c1ccc(CC)cc1	2029966146	GMDFROLUBDNIFX-HUUCEWRRSA-N	247.426	4.726	0	10	BJAE	
C[C@@H]1CC(C=C(CN)C2CCCCC2)C[C@@H](C)C1	2030237595	PCEASQOZHIVQRP-KBPBESRZSA-N	249.442	4.524	0	10	BJAE	
CCC1(CNc2ccc(C3(C)CC3)cc2)CCC1	2032247508	SCRIGPZPUDUUQQ-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1CCC[C@H]1C	2032477457	BYNZVNONUWUBCB-CJNGLKHVSA-N	246.394	4.933	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)[C@@H](C)C1CCC1	2035600866	QNUBFPKFSMZMDS-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1)C1CCC1	2036662299	VKNYVKIMRXZVQF-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2037165753	HWLUUGAQIDWSGP-YHUYYLMFSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@H]([C@@]2(N)C[C@@H]3CCCCC[C@@H]3C2)C1	2037589995	GXSAUHXUZOPOCV-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(=O)[C@H]([C@H]2CCC3(CCCC3)C2)[C@@H](C)C1	2037681228	DOEXQSRKQVYNFC-YXWQFLTLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCC1CC1)CC1CC2(CCC2)C1	2037979727	PMCNEMOJMFXXLZ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCNCC1([C@@H]2C=CCCCCC2)CC(C)C1	2038888349	VLKBPZRCNFEFOF-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@H]1CC12CCCCC2	2039078883	MCNSBJTZDQQZFP-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](NC[C@H]1CC12CCCC2)C1CCCCCC1	2039079713	UHSWEAHVWHGANA-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@H](N)CC23CCC(CC2)C3)CC1	2039353551	HQSAAUIFRNRMHT-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CCC(=C[C@@H]1C(C)=CCC[C@H]1C)CNC(C)(C)C	2039433324	BEUUXXXAFIAFQQ-GDBMZVCRSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@]2(N)C[C@@H]3CCCCC[C@@H]3C2)C1	2040169902	RZRYYSHLPADYJR-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@](C)(N)CC2CC3(CCC3)C2)CC1	2040681058	PYCFKRQHWFMKGL-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc(C(C)(C)C)cc1	2040719952	UVSILJFWNXKQPD-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
C[C@H](CC(=O)[C@@]1(C)CC=CCC1)C1CCCCC1	2042087908	XYFOWMACZAKQFT-PBHICJAKSA-N	248.410	4.908	0	10	BJAE	
CCCC1(CNC[C@@H]2CCC=CCCC2)CCC1	2045321006	RKFHRHCNENRZBO-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC[C@H](CNC[C@H]2CCC=CCCC2)C1	2045328130	BJUWNMMEFROWQQ-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CCC1CCCCC1	2045683344	ZCPYWMRCHAJLNM-PBHICJAKSA-N	248.410	4.908	0	10	BJAE	
NC1(C[C@H]2C[C@H]3C[C@H]3C2)CCCCCCCCC1	2045888663	VBBKJKGXHZXMMX-PHZGNYQRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](NC1CC2(CCCCCC2)C1)[C@@H]1CC1(C)C	2046235506	MAJTXCLWXHDBEQ-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2046489026	VDXUBGGGZZDVNX-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@H]1CN[C@H]1CCCCC12CCCCC2	2047592700	LHUCNKYIIKTVQQ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1NC[C@]1(C)CC=CCC1	2047725213	ACJXPACCMYWLIU-QGZVFWFLSA-N	243.394	4.968	0	10	BJAE	
C[C@@H](C[C@H]1[C@H]2CCCCC[C@H]21)c1ccc(N)cc1	2048494271	WKDBHGZJMZTCQF-SJWGOKEGSA-N	243.394	4.589	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)c(F)c1	2049539806	JHZREXNUJXXBFE-MRVWCRGKSA-N	249.373	4.761	0	10	BJAE	
CC1(C(=O)C[C@@H]2CCC3(CC3)C2)CCCCCC1	2049951131	MFFBJAHJOLDKAY-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
C[C@]1(C(=O)CC2CCC3(CC2)CC3)C=CCCC1	2050000333	MSBVHLLSGTUJBP-INIZCTEOSA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@]1(C)C=CCC1	2050004980	CAKNFOJGTJVQSR-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2[C@H]3CCCC[C@H]32)CC1	2051603126	WBAWSNDSRIUSSX-MUJYYYPQSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@]1(CCC=C(C)C)CCCC12CC2	2053355919	KKEFELUNRUUGNY-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)[C@H]1CCCCC12CC2	2053414570	ASWFQRJXXNABOZ-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@@H](N)C2(C)CCC(C)CC2)c1C	2056562300	KAKBGVKKXLPVML-PTXATLKXSA-N	245.410	4.520	0	10	BJAE	
CC(C)C1CC(CC(=O)[C@@H]2CC23CCCCC3)C1	2056666952	YMYKOWVFYGEKNA-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@]1(CCC2(C)CC2)CCCC12CC2	2059177459	JQGQAOBVZQCCNF-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)C1(C(C)C)CCC1	2060925713	MOGZILKRTFHGHS-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CCC1)C1=CC[C@H](C(C)C)CC1	2061089771	VZARGTWLWLEYPI-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C(C)(C)C)CC1)C1CCC1	2061096872	YAVPQAQNLOGLOC-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H](N)CCCC2CC2)CC1	2061143579	LKASGUVZKVOJAS-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C1=CCC(C)(C)CC1	2061149010	ZMQIXINUCCFFRE-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@@]1(C)C[C@@H]1C	2061150082	IAFWYQIAZBNYAM-LXZKKBNFSA-N	249.442	4.537	0	10	BJAE	
CC1CCC([C@](C)(N)CC[C@@]23CCC[C@@H]2C3)CC1	2061601494	HTRZVVOFVYKXPX-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCC[C@H]1CC1CC(=C2CC2)C1	2061703428	FHOGRZFYEHPCHZ-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
C[C@@H]1[C@@H](N[C@H]2CCCCCC23CC3)CCC[C@H]1C	2062019243	VHJAAOCCIHWHPH-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063416955	BTSLOIXJBGEEQG-WFLNUHJHSA-N	248.410	4.598	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC=CCC1	2063539842	BPVUFZQAIOPZBA-IVSAIRAKSA-N	246.394	4.518	0	10	BJAE	
CCCC1(CC(=O)[C@H](C)c2ccccc2)CCC1	2069267466	BJRGGURTXNFFJD-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C[C@]2(C)C[C@@H]2C)cc1	2070955951	RUBHPSLUNMCHCY-GUYCJALGSA-N	244.378	4.504	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@H]3C[C@H]32)CCCCCCC1	2071054625	IAYHBGQZFZNJJK-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(CC(=O)C2(CC3CC3)CCC2)CCC1	2071915120	KMIMCHOUELONCD-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)C1(C[C@@]2(N)CCCCC23CCC3)CCC1	2071939446	AGNHAAYMYOJBSJ-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1cc(C)cc(F)c1	2072416206	CRSHVWKYPYGGQD-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@H]2CC23CCCC3)CC1	2072801812	RCBYKCHWFBPQEC-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN2CCCC3(CCCCC3)C2)CC1	2074590209	SERKSBUNRDZJPH-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1	2074596396	APFSYRKEDXOUNL-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)CCC1=CCCCC1	2075151920	NICPHVVQSRCJCH-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1C(C)=CCC[C@@H]1C	2077195487	OCYLTYNXYLIUHN-UAGQMJEPSA-N	249.442	4.703	0	10	BJAE	
CC(C)c1cc(C(F)F)n([C@H](C)C(C)(C)C)n1	2079124953	NKQGSXSYWRNUNY-SECBINFHSA-N	244.329	4.551	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC1(N)CC2(CCCCCC2)C1	2079864472	MTMINOYDAALJDD-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@@]1(N)CCCC12CCCCC2	2079885209	KJCDCHPNVSLYDY-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)NCc1cc(C)cc(C)c1C	2082905924	PWECNXZATFJCPR-KRWDZBQOSA-N	247.426	4.670	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)CC1CC(CC)C1	2085000571	IGZSVJYKWIREJW-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
Cc1cc(NCCCC(C)C)c(F)cc1Cl	2210739054	SERWERNVJKGLRY-UHFFFAOYSA-N	243.753	4.636	0	10	BJAE	
CCC1(C)CC(O)(CCCCCCC2CC2)C1	2213576200	NSHKOWQDBRISAM-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@H]1CC[C@@H]1C	2215097559	HQCRTKSGEQZJAJ-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC(C)(C)CC)CC1(C)C	2217127541	HSBXZLMAPWDKSH-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1(CCCC(C)C)CC=CC1	2217129391	NQHMHTGCSFUHOK-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1C[C@H]2CCC[C@H]21	2217284575	ZEWPEOMESQIBME-UXIGCNINSA-N	249.785	4.503	0	10	BJAE	
Cc1ccc(C/C=C/c2ccccc2)c(F)c1F	2219075638	FVMCXSZLXARDKO-VMPITWQZSA-N	244.284	4.529	0	10	BJAE	
CN(CCCCC1CC1)[C@H]1CCCC2(CCC2)C1	2220005441	JZXNPKCIXXQFOZ-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H](CCC1(C)CC(C)(C)C1)c1ccco1	2221039643	KGXTWKLLUXNWQX-ZDUSSCGKSA-N	249.398	4.537	0	10	BJAE	
CC1=CC[C@@H](CN(C)[C@H]2CCCC(C)(C)C2)CC1	2221611507	DJBJIPNQHQQMHH-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
Cc1ccoc1[C@@H](N)CCCCCCCC1CC1	2223109593	OKGWVEVHMPAETK-HNNXBMFYSA-N	249.398	4.729	0	10	BJAE	
CCCCc1ccc([C@@H](N)C[C@@H](C)CC)s1	2242599418	VRIUZDIQTVAQIT-AAEUAGOBSA-N	239.428	4.527	0	10	BJAE	
CCCC1(NCC[C@H]2CCC[C@@H](C)C2)CCC1	2246695890	VRJUXVBEGHZNAL-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](C)CC(C)(C)CC[C@@H]1CCC[C@@H](C)C1	2246728289	QCRZGXXINXQJAA-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](CC2=CCCCC2)C1	2247498162	KSVZJRBRROMADO-GJZGRUSLSA-N	234.383	4.518	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)c1csc(C2CC2)c1	2248071975	ZXCGLYFOHVOGGP-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)[C@H]1CC12CCC2	2248264019	ZUMPWFYGTXOXSZ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCc1ccc(NC2CCC=CCC2)cc1	2249284549	PIAMLXDFMCVGMH-UHFFFAOYSA-N	229.367	4.550	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)C1[C@H](C)[C@H]1C	2250483410	ZQXHCXFBHUXMHN-BFHYXJOUSA-N	238.415	4.700	0	10	BJAE	
Cc1cscc1C(=O)C[C@]12CCCC[C@H]1CC2	2251157114	FZSAMAUWZZKKSB-SWLSCSKDSA-N	248.391	4.600	0	10	BJAE	
CC(C)[C@H](C)CC(=O)C1CC(CC(C)(C)C)C1	2251545132	WUEYUYLZROPDQI-IYXRBSQSSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](NCC)[C@@H]1CC(C)(C)CCC1(C)C	2251679969	YYCYSZAUCCVGTC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(-c2nc([C@@H]3C[C@H]3C)c(C)s2)cc1	2252757553	GXQNYNYHXLESRA-ZWNOBZJWSA-N	243.375	4.550	0	10	BJAE	
CCN[C@@H](CC1(C)CC(C)C1)[C@]1(C)CC=CCC1	2253660135	BINKCCRSSBSHTP-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@H](N)C[C@H]1CCCCC12CC2)C1CCC1	2253809757	KFPHXWMSOOOXCK-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2c1N[C@@H](C1CCC(C)CC1)CC2	2253867491	UCOBWVAEAGECJW-LDZOIKDWSA-N	243.394	4.548	0	10	BJAE	
CCc1ccc(C(=O)CC[C@@H]2CCC[C@@H](C)C2)o1	2253933313	WZNWLLFGYKMLSM-OLZOCXBDSA-N	248.366	4.631	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)CC3CCC2CC3)C1	2253994415	DYOIHGWIJMIWRB-CWHQUEMWSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@H]2CCC2(C)C)cc1	2255013737	OCRSGSOEFLIQIA-HNNXBMFYSA-N	244.378	4.819	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C1(C)CCCCC1	2255061205	BQHYAPZJEKEYIL-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@H]1C[C@@H]1C1CC1	2257281175	HJYUXNUQVHWGAC-VWNJHIHFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@]23CCC[C@@H]2CC3)CC1	2260635615	WWODNOLMNVWQFG-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@](C)(O)c1cccc(C2CCCC2)c1	2260664462	WJRAMWLJZSHIEB-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
O=C(c1cccc(-c2ccccc2)c1)C1CC=CC1	2269827381	GCRRERSIFZRLAL-UHFFFAOYSA-N	248.325	4.503	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@@H]1CC)CC(C)(C)CC	2298127955	NXJVTMQADSTZKW-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1C[C@@H]2CC[C@H]1C2	2298443298	VPIAOURCMWKUMX-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@@H]1CC[C@H](C)C1	2300682331	XWKBBLNHFGWYOJ-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC)CCCC1(C)C	2300686911	WFOHAGJXTQMTCG-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC(C)(C)CC[C@H]1O	2300687462	CLPIOSHUKYSXJK-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC(=CCN[C@H]1CCC[C@@H]1C)CCCC(C)C	2300865096	JFUCMWBSSMXUJW-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@]1(C)CC[C@@H](O)C1)CCCC(C)C	2300865337	MFPVYAHJGUOHMN-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@H]1CC=C(C)CC	2300926383	LJLVTNQRYLZHCP-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](N)(C[C@H]1CCC(C)=C(C)C1)C(C)(C)C	2303520375	GRQMUMAZTOIQMX-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CC[C@H]2SC)cc1	2307626732	QXDWGTMDHFAKLV-TUKIKUTGSA-N	249.423	4.506	0	10	BJAE	
CCC[C@@H](CC)CN1CCC[C@](C)(CC)CC1	2307906065	BNAAIZASWBUDSF-CVEARBPZSA-N	239.447	4.715	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312944389	MRIUWMCLXSNMCB-DLTWYDFYSA-N	246.394	4.518	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cccc2ccoc12	2316240783	YHZMGSRVRUXVBH-OAHLLOKOSA-N	245.366	4.649	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]21	2316880289	IZWUBSHEPWMDBD-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1CCCCCC1)c1ccccc1F	2316885275	PTAAUTVQBTXIPP-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
C1CCCC(C[C@@H]2CCN[C@@H](C3CCC3)C2)CC1	2317003679	WPRAAASABDWGGD-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CCC1=CCCCC1	2317905277	ACXPNVJIUBDGLG-QGZVFWFLSA-N	249.442	4.992	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1NCCCC1=CCCCC1	2318531411	KPKVWKXREQAISN-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@H](N)CCCC1=CCCCC1	2318569035	OTNPXQMAEZSVHQ-BHYGNILZSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)C2(C3CC3)CCCC2)C1	2319035132	STVMJFPCIGEDBP-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCC(=O)c1cc(F)ccc1C1CC1	2319173981	PEYZXUJEMTWPBM-UHFFFAOYSA-N	248.341	4.712	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@H]2CC[C@@H]2C(C)(C)C)CCC1	2320245862	DSXGLUVTGZRFLY-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@](N)([C@H]2CCC3(CCCC3)C2)CC1	2320264727	ARMREIKFEBDKLG-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@H](NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2320373362	QXZRHDZEMWUSAW-OSRSDYAFSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)CCCCC2CC2)CC1	2320394754	AOOLQNHINNMVGM-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H](C)C2CCCCC2)CC1	2320414806	UWXYBZMCUXJCAA-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@H]2CCC(C)=C(C)C2)C1	2320415826	DSTYXDWDHRZAKX-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
CC=C(CC)[C@@H](NCC)c1cccc(C(C)C)c1	2320519258	VKKUEYKWNQWOIE-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CCc1cc(F)cc(N[C@H](C)C2CC(C)(C)C2)c1	2321094125	ULTMZWJWPXXQKF-LLVKDONJSA-N	249.373	4.625	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cccc2c1CCC2	2328214319	WAPDHIPQBOIONE-ZDUSSCGKSA-N	244.378	4.574	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](NC)c1ccccc1C	2328292068	KKFJRSFMYWHLRW-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
Cc1ccccc1S/C=C/c1ccccc1	6504813	CCWRXCIDIGUJII-VAWYXSNFSA-N	226.344	4.758	0	10	BJAE	
CCCC[C@H](N)c1ccc(C2CCCCC2)cc1	20546895	KTXKFJOPMOCUKX-KRWDZBQOSA-N	245.410	4.924	0	10	BJAE	
CCCC[C@@H](C)N[C@H](CC)c1ccc(C)cc1	37295951	UYSIHLUKEIERAC-GDBMZVCRSA-N	233.399	4.614	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H]2CCCC[C@@H]2CC)C1	71112545	CPTRUWUTXYTNAQ-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCc1ccc([C@H](CC)NC[C@H](C)C(C)C)cc1	81044924	SJAZHQNLSARWDN-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
C1CCC(CCN[C@@H]2CCC[C@@H](C3CC3)C2)CC1	81635607	HFGBSYTYIPYZPM-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CC1=C[C@@H](O)CC(C)(C)C1	87323157	XUUINMDOXBQUTE-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
CCCC1CCC([C@H](N)CCC(C)(C)C)CC1	87962523	XAJOXCDCKLTLKC-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](c1ccccc1)C1CC1	111663947	ZVGWWSAUGPDZAE-DYVFJYSZSA-N	245.410	4.552	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@H]1CCC(C)(C)C	155594028	JYJWKIPPZWOSKK-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@H]1C[C@H](CC)CC[C@@H]1CNCC	156039910	XRKAMSZYXWYODN-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@]1(N)CCCC(C)(C)CC1	165689490	HXDVSYCHYQTQDF-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccc(Cl)cc1C	229619214	CDTWKADHNYWWAA-FZMZJTMJSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(NC(CC(C)C)CC(C)C)cc1O	232568268	JISTXFKZYKOZMA-UHFFFAOYSA-N	249.398	4.573	0	10	BJAE	
CC1(CN[C@H]2CCC23CCCCC3)CCCCC1	232930242	ASFYPADVLOPVKD-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
Cc1cccc2c([C@@H]3CCC[C@H](C)C3)c[nH]c12	235724300	QDYBZLJSAMQHLL-WCQYABFASA-N	227.351	4.770	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](C)CC[C@H]1CNCCC	250833933	SQDLDVSWLOFCIX-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@]1(N)CCCC[C@H]1C1CCCCC1	251732755	FRMBWYKUMYMGDA-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CCC[C@@H](C)C1	251917929	YGWBHYQZLHUSJE-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC1([C@H](O)CCC2CCCCC2)CCCCC1	302244859	HTMRGKHETOVAOV-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CCC1CCCC1	302283361	VGCPTFIDAJCOOT-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)[C@@H](C)C[C@H](C)C3	307983606	IPRHSGVCDREAPX-RYUDHWBXSA-N	241.378	4.977	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@@H](CC)CC(C)C	308111112	ZWPDFTUGHMKVQI-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@H](O)CC2CCC(C)(C)CC2)cc1	310796560	WDZOICWVOQTXPR-MRXNPFEDSA-N	246.394	4.635	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCCCC2)CC[C@H](C)C1	317492101	SXJPTQMFWOLZDS-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H](N[C@@H]1CCCCC12CCCC2)C1CC1	324018674	RABYSCUWYYRRSJ-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)c1cc(C)cs1	379234136	UDYYUMQWMHGDOJ-YPMHNXCESA-N	239.428	4.533	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1C[C@H](C)c2ccccc21	381169555	KKCLLAXZJYHAPE-ZQIUZPCESA-N	245.410	4.793	0	10	BJAE	
CC(C)/C(=C\[C@@H](C)C1CCCCC1)CNC1CC1	381227210	HLDGINMLLSTDAM-VQCBNXJZSA-N	249.442	4.537	0	10	BJAE	
CC1(CC(=O)CC2CCCCCC2)CCCC1	383501446	FJAPKGFBFXBQIF-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCCCC[C@H](NCCC)c1cocc1C	385404853	XFCQSGGWVCQBOZ-HNNXBMFYSA-N	237.387	4.599	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C(C)(C)C(C)(C)C	390784808	NORGWZSMGYGBRS-LBPRGKRZSA-N	228.420	4.636	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1C[C@H](C)CC[C@@H]1C	391172859	MAKQSDKAKLUMRD-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H]1Nc1c(Cl)cccc1Cl	393735427	ODGCQJAQMRTTNT-JTQLQIEISA-N	244.165	4.594	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NCC1(C)CCCCCC1	394658234	RBZFGQCVKCMCNX-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCNC/C(=C/C1(C)CCCCCC1)CC	394676488	SXINPDOOYPRSHE-FYWRMAATSA-N	237.431	4.683	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1N[C@@H]1CC12CCCCC2	395674366	OLXPCVJDHJKXBX-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
Cc1cc2cc(C(F)(F)F)cc(S)c2s1	396307535	RUXAZBSODWBFRC-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@H](NCCCCC(C)C)[C@@H]1CC1(C)C	397724202	YCULTZXVOUPPDE-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@H]([C@H](N)C[C@@H](C)C1CCCCC1)C(C)(C)C	399139161	SWQQFBRMTJUFON-UMVBOHGHSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@H]2CC=CCC2)cc1	402339404	NXKDSTJCOZIQRY-CABCVRRESA-N	244.378	4.935	0	10	BJAE	
CCC[C@H](C)[C@H](CCC(C)(C)C1CC1)NCC	405837930	WFFRLFHJVXEQKI-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
FC(F)c1cccc2cccc(C(F)(F)F)c12	514256251	FJVBTCLGPNNALP-UHFFFAOYSA-N	246.178	4.796	0	10	BJAE	
CCCC[C@@H](CC)CNCC1(C(C)C)CCC1	687273999	KYNZAHXWCFAOSD-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1cccc([C@H](N)CC2=CCCCC2)c1	688935356	IDUZRAGXJOOURH-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CCc1ccc(CC)c(NC2CCCCCC2)c1	689614658	QQQGCSPNMSBLAT-UHFFFAOYSA-N	245.410	4.946	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCC[C@H]1CC)C1CCC1	691191657	XQIBKTHMNKMGKC-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@](CC)(CN)CC(C)(C)C(C)(F)F	697123920	NNLXHRYCJPMXDO-CQSZACIVSA-N	249.389	4.603	0	10	BJAE	
CC(C)=CCC[C@@]1(O)CCC[C@H](C(C)C)CC1	697599303	RILNRXBVUDQFDC-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CCCC(F)F)CCC(C)(C)C	699905245	DETDJFPEQBCRTM-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCN[C@@H](C1CCCCCCC1)C(C)(C)CC	701098460	CJSUFPWJGUKFAE-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@H]2CCCC[C@H]2C)CC1	704796205	GEOQJKWCWXKLNI-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(C1CCC1)[C@@H]1CCCC[C@@H]1CC	705364096	POBNAKUNVUGIKE-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCCCCNc1c(CC)cc(C)cc1CC	709659556	OMDQYVLDGYOJSV-UHFFFAOYSA-N	233.399	4.722	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@@H]2CCCC[C@@H]21)C1CCCCC1	712449373	FEWAOKHKMOWLFF-MWDXBVQZSA-N	249.442	4.514	0	10	BJAE	
C=C/C=C/CCc1cc([C@@H](C)CC)ccc1O	713679860	UBQITZJOVHEGEG-YBJDMEARSA-N	230.351	4.581	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@H]1CCCC2(CC2)C1	718545870	IOCNJNXZCLKXGJ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
O[C@]1(C2=CCCCCC2)CC[C@@H]2CCCC[C@H]2C1	723648359	BEFKLWLHFFOLKW-YQQAZPJKSA-N	248.410	4.598	0	10	BJAE	
c1ccc(CCCSCC2CCCC2)cc1	1472988719	KIJJAOUMISINSE-UHFFFAOYSA-N	234.408	4.543	0	10	BJAE	
CC(C)(CNC[C@H]1CC=CCC1)C1CCCCC1	1655937668	QQYMDWLYMBSTIQ-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@H]1C[C@@H]2CCC[C@@H]21	1659601775	GLWLYEUTLUGXEY-XIRDDKMYSA-N	241.378	4.555	0	10	BJAE	
CCCCC[C@](C)(O)S[C@H]1CCC[C@H](C)C1	1904836400	FCPDVCDBVHHGQR-MELADBBJSA-N	244.444	4.587	0	10	BJAE	
CCC[C@@H](CC)CN(CC)CC(CC)CC	1905307373	XUQVFWGZEWTCJF-OAHLLOKOSA-N	227.436	4.571	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1cccc(Cl)c1	1905391081	PGLYMDQNPDHKDW-RISCZKNCSA-N	240.774	4.590	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1scc(C)c1C	1905452564	ZHAFYBFABXMISO-LBPRGKRZSA-N	238.396	4.764	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C1CCC(C)CC1	1912017733	YLOQMKMERSHTQB-JCYILVPMSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CC(C2(N)CC3(CCCCC3)C2)C[C@@H](C)C1	1912725952	FSZMYYNLJFSURT-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](NCC)[C@H]1CCC2(CCCCC2)C1	1915908948	TZSZQUXFZFMUON-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)NCCCC[C@H](c1ccccc1)C(C)C	1921318021	ATYGYGARFDQKST-KRWDZBQOSA-N	247.426	4.595	0	10	BJAE	
CCC1CC([C@H](NC)c2cccc(C(C)C)c2)C1	1921320253	MMSQODJSLBCHPZ-QWFMPGPPSA-N	245.410	4.507	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](O)C1(C)CCCCCC1	1921552649	DDDOLMOVBKIVDH-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCCC1)C(C)(C)C	1925915129	LPBCMQNDJPUZTC-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CSc1ccccc1NC[C@H]1C=CCCCC1	1925918392	TVBWWIPWVHJPHY-ZDUSSCGKSA-N	247.407	4.567	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@H]1C=CCCCC1	1925931108	XLMOETLCXDTTQI-ARFHVFGLSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CCN[C@]12CCCC[C@H]1CCC2	1926209868	OREYOQGKJUVACY-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCCCC1(O)CCCCCCCCC1	1938718678	LKFMWBDWCPADQO-UHFFFAOYSA-N	226.404	4.822	0	10	BJAE	
CC1(C[C@@H](O)CC2=CCCCC2)CCCCC1	1940403616	PDFICQLDLIKYGO-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@H](CC(C)C)C(C)C	1941266628	HZGKJGLXQUTKKX-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](O)(CCC2CCC2)C1	1941470041	KXMSOZZTQKXXMA-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CC(C)(C)CC2(CC2)C1	1943083788	QUBMEALFKZMXBK-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC(CC(=O)C2(C)CCCC2)C[C@@H](C)C1	1944197540	BJBAUAQZGJIXSV-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](O)C(C)(C)C1CCCCC1	1944617362	BAXBCXALKBYWLU-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C1CC(C)(C)C1	1948147453	XPASIADNIDXNOB-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](NC1CC2(CCCC2)C1)c1ccsc1	1948477025	ZXQOEGOFIFTIHH-AWEZNQCLSA-N	249.423	4.512	0	10	BJAE	
CCc1ccc(N[C@@H](CC)CC2CC2)cc1C	1950100292	MGIBOUDNEOLLIR-HNNXBMFYSA-N	231.383	4.548	0	10	BJAE	
CCCCCC1(O)CC2(CCC(C)(C)CC2)C1	1950544737	ZSJUWOOLXUXYQS-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](CCC=C(C)C)CC(F)(F)F	1956822656	XVCSVVDEMYXCHE-SNVBAGLBSA-N	208.267	4.711	0	10	BJAE	
F[C@@H]1CC[C@@H](CNc2ccc(C3CCC3)cc2)C1	1969958167	BSYZUZNWWDLBLY-IUODEOHRSA-N	247.357	4.504	0	10	BJAE	
CCC(C)(C)C[C@@](N)(CC)C1CCCCC1	1975998849	RLAQQPAAUQXBRA-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@@](C)(N)C=C1CCCCC1	1983514987	PVUWDEJFDRPJKW-OAHLLOKOSA-N	223.404	4.565	0	10	BJAE	
C/C=C/CCCC[C@@H](CCCC)NCCC	1984631615	DRNIXKMVWUSVJM-NFBGWVBBSA-N	225.420	4.681	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](CC)C1CCC1	1990089884	RFQULCBLYBJASM-LSDHHAIUSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@@](N)(CC)c1cc(C)c(C)s1	1993986199	GUYLFVAYFQEYBT-AWEZNQCLSA-N	239.428	4.509	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1ccsc1C	1995213465	CLCXURQQFFDRDV-LLVKDONJSA-N	238.396	4.846	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCC(F)(F)F	1995214674	NYMCJNDODYXZTP-SNVBAGLBSA-N	238.293	4.505	0	10	BJAE	
CCCN([C@H]1CCC2(CCCC2)C1)C(C)(C)C	1995898045	HDVFEEDRPIJLLQ-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](N)C[C@H](C)CC(C)(C)C)C1	1996247126	FXTCPEXCCHZIBV-QPSCCSFWSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)[C@]1(N)CCCC2(CCCCC2)C1	1996646586	VGFKYEPGMTXRHT-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@H]1CCC=CCCC1)NC	1999987739	JAQBIUDQOXFHOL-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CN)CCCCCC1CC1	2000483436	MNZAGJBKPMIXRO-INIZCTEOSA-N	239.447	4.892	0	10	BJAE	
CC[C@H](C)C[C@@]1(N)CCCCC12CCCCC2	2001572799	NUSOBEFDONBVBS-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H]1CCCC(C)(C)C1	2002980254	XHORWGGIZYULBL-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2003013415	HDMYHTCTYQESHD-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(O)CC2(C)CCC2)C1	2003022219	SOPQYICYPKHKQF-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CCC2CCCCC2)CC1	2003067059	MJRMTNHJCNJWII-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H]1CCCCCCCC1=O	2003073864	DXANGUAOXCYNDI-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CSc1ccccc1NCC1(C)CC(C)(C)C1	2003410660	SYAHLCAFVHWYLK-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
F[C@H]1CCCC[C@H]1Nc1cccc2ccsc12	2006686133	ZMPFETUEEUMLMH-NWDGAFQWSA-N	249.354	4.594	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1C[C@@H]1CCC=CCCC1	2006990139	YJLFTSIUVBAXPE-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H]1CC[C@H](CC)CC1	2007852858	HYZHNLVINREZOP-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C=C1CCCCC1	2007918696	AFDJBXURJMOZHC-CVEARBPZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2CCCCC2)CC1	2009403314	AXFPHOSHVQBCOZ-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCCCC1CC(N[C@H]2CC[C@H](CC)C2)C1	2009790985	FVUFDYPAWSNOPF-UIDBIOKJSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@@H](O)C1=CC[C@@H](C(C)(C)C)CC1	2010724774	DJLMDXJCLPIHLW-HUUCEWRRSA-N	238.415	4.556	0	10	BJAE	
CC[C@@](CNC(C)C)(CC1=CCCC1)C(C)C	2012424226	DGNSISKZUDPRAF-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cccc(F)c1F	2013263731	JAVXIBTVTWQTPL-NSHDSACASA-N	241.325	4.592	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@H]1CCCC[C@H]1C	2013265663	YIRBFMRTTVCSBQ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CSc1ccccc1N[C@H](C)C1(C)CCCC1	2014331689	VQDOXLNXWWMQFX-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CCN[C@H](CC(C(C)C)C(C)C)C[C@H](C)CC	2015275475	QGOCAJBGUCJORH-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CCNc1cccc(F)c1)C(C)C	2015359937	GOJPVTIIZRKXCR-UHFFFAOYSA-N	237.362	4.556	0	10	BJAE	
CC(C)C(CCC(=O)CCC1(C)CC1)C(C)C	2015394038	KFAOXWMVEWEXJQ-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCC1(CN(C)[C@@H](C)CCC(C)C)CCC1	2015594243	HJEKZICWRLEIQG-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H](CC(F)F)C[C@](C)(N)CCC=C(C)C	2016119869	OIXPGUQGZHLTGC-GXTWGEPZSA-N	247.373	4.522	0	10	BJAE	
CSc1ccccc1N[C@@H](C)CCC=C(C)C	2016135616	GUMVKMHBYGHRLW-ZDUSSCGKSA-N	249.423	4.955	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(O)CCC=C(C)C	2016150880	YXBFPWSQZURTPN-PMPSAXMXSA-N	238.415	4.700	0	10	BJAE	
Cc1cc(NC[C@]23CCC[C@@H]2C3)c(C)cc1Cl	2016318806	SKVPFXSNPOBPPU-IUODEOHRSA-N	249.785	4.559	0	10	BJAE	
CCCC1([C@H](O)CC2(C(C)(C)C)CCC2)CC1	2017117277	TZVIRHHHKNGZES-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C[C@@H]2CC[C@@H](C)CCC2=O)CCC1	2017129999	WRGOUWCZOGNEBN-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C(CC)CC)C1(C(C)(C)C)CCC1	2017139551	WQETYSQQXUXALO-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H]2C[C@@H]2CC)CC1	2017654322	CFDPFMKWQNYIGE-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)CC2(C)CCC2)CC1	2017655266	LFUQBNRHGNEAJP-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](O)CC[C@H]1CC[C@H](CCC)CC1	2017712899	TZIZEHLPVGAHAA-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CCN[C@@H](C)[C@H](CC)CC1CCC(CC)CC1	2017722282	PCIVFCVNCDHIPN-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)NC1C[C@H](C)C[C@@H](C)C1	2018139520	SJNCYXVIOALKIV-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CCCC1(CC(=O)CC2CCCCCC2)CC1	2018955073	GSDMVWHZNLVARE-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC1(C[C@](C)(O)[C@H]2CCC[C@@H](C)C2)CC1	2018970541	QMUCYLANHICQNE-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@H](C)CC(C)C)CC1	2019005964	KSKUALJBEIHBHY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCN(CCCC)C1CCC(CC)CC1	2019163829	LSXRMZSMFHZXHA-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCCCCCN(C)[C@H]1CCCCC12CCC2	2019290976	MOPKJVDBPQFNOU-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CC(C)CCCCCN(C)CCCC1CCC1	2019340235	LIRGMJQJPITIMG-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@@H]2C=CCCCC2)C1	2019535663	HZUYAEOHJMMTSL-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H]1[C@H]([C@H](C)CCC)CCCC1(C)C	2020363389	IRVSPFYXMWQBGV-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC[C@@H]1C[C@@H]1C(C)(C)C)NCC	2022500082	WECUVIHUJVDYHN-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCCC(C)(C)C1	2022556341	FHKHOINKFFCUJC-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CN[C@H]1CC(C)(C)C[C@@H]1CCCCCC(C)C	2023616863	OXNKOQJBEOEVIY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2CCCC(C)(C)C2)CCC1	2024093549	CLDCUTKMDAFFBF-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](O)C2CCCCC2)C1	2024129951	ZHTYLZDUVFAHEZ-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@H](C(C)C)C1	2025632590	ZLPOTYRHHQWMJK-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)[C@@H](O)Cc1ccccc1C(C)C	2027444114	DYOVSEHPBUKYNS-INIZCTEOSA-N	248.410	4.540	0	10	BJAE	
C[C@H]1CC([C@@](C)(F)c2ccc(N)cc2)C[C@H](C)C1	2027936340	OLNIUOZRDUPDOP-HSMVNMDESA-N	249.373	4.526	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C[C@@H](C)c1ccccc1	2028255862	UGPGOSDOLYVKRJ-DJIMGWMZSA-N	247.426	4.580	0	10	BJAE	
CC[C@H](C(C)C)[C@H](NC)c1cccc(C2CC2)c1	2028555471	UJLNDIQNNYRPAR-IAGOWNOFSA-N	245.410	4.507	0	10	BJAE	
CCCCC[C@@](C)(O)c1cccc(C2(C)CC2)c1	2028561296	YUWWGBBDRVRCON-QGZVFWFLSA-N	246.394	4.526	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C(=O)CCCC1CCC1	2029596657	DZKQLZDIANEUSI-DZKIICNBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](N[C@H]2CC(C)(C)CC3(CC3)C2)C1	2030285955	BVYMMIWCHSTSOY-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@]23CCCC[C@@H]2CCC3)C1	2031800474	ZHIYWWJGIGANQM-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
CC1(c2ccc(NCCCC3CCC3)cc2)CC1	2032242820	MWOAKERLOPWLMU-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
CCC[C@@H]1CNCCC1=CC1CCC(C)(C)CC1	2032536869	HQOPMJHSNULCAL-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C)c(NCC(C)(C)C2CCCC2)c1	2034020292	UZACQGHYMFXVAB-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
CC1(C[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H]2N)CCCCC1	2034255536	CWYZCFYWYCBCNU-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)c1c(C)coc1C	2035531151	DXPIWYFBBGTCIF-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
C1CCCCC(NC[C@@H]2CC[C@@H]3C[C@@H]23)CCCC1	2035888265	SATMCOXGPSNDPF-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(N)CCCCC23CCC3)C1	2035924661	KYGJMFYNIGXNPB-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CC2CCC=CCC2)C1	2037208365	WIFXCHYIHIXGDG-IAGOWNOFSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@@H]1CC12CCCCC2	2038997001	PPDNGLJQQRGGCT-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@@H]1CC12CCCC2)C1CCCCCC1	2039079715	UHSWEAHVWHGANA-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)(NC[C@H]1CC12CCCCC2)C1CCCC1	2039080754	DJDVACPYDMBZMW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CC12CCC(CC1)C2	2039353210	CWFSVRUKMMDUNV-CUQMJCILSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@@H](C)C12CCC(CC1)C2)C1CCCC1	2039865387	OQRMHNNJOYXUPK-SMOLVSOFSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)CC[C@H]3CCCC[C@H]3C2)C1	2040166582	QJJNYMNGUCWIAV-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(C[C@H]2CC[C@H](C)C2)CCC=CCCC1	2040175006	FQLFQMBZAISBND-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1ccc(C2(C)CC2)cc1	2040719398	NAJHYKJPWDYBMC-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@@H]1CCCC2(CCC2)C1	2041296628	OFHPSVDTQFJDTH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](CC)c2ccco2)CC1	2041494772	LRMUERTYDQRVOA-RBSFLKMASA-N	249.398	4.679	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)[C@]2(C)CC=CCC2)CC1	2042020025	TZQPVCOPOMUVKU-NVXWUHKLSA-N	249.442	4.667	0	10	BJAE	
CCCNCC1([C@@H]2CCCC[C@H]2CC)CC=CC1	2042093317	FVJPEOHXRUMTKT-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CCCNC[C@@]1(C[C@@H](C)C2CCC2)CC=CCC1	2042094602	RLIWRZSEJOWVCG-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@](C)(N)C2CC3(CCC3)C2)C1	2043540256	JEAJVYJJFDENMX-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1C[C@@H]2C[C@H]2C1)C[C@@H]1CCC=CCCC1	2045307024	GBWMXQNYTMENLC-FVQBIDKESA-N	246.394	4.518	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC=CCCC2)CC[C@@H](C)C1	2045319875	HXFCLXREVXXBKU-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2CC3(CCCC3)C2)C1	2045458931	YBGBCUGTOLDPFK-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CC[C@@H]3CCCC[C@@H]3N2)C1	2045504036	ILJBXSDPIDWGBC-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CCC[C@@H]1CC1(C)C	2045681207	VYRXNUXNHONHEA-SQWLQELKSA-N	248.410	4.764	0	10	BJAE	
c1ccc(NC[C@@H]2C[C@@H]3CCCCCC[C@H]32)cc1	2047410417	RWVAAPWYCBYKMQ-YQQAZPJKSA-N	243.394	4.705	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@H]1CCC12CCC2	2047933258	RZUSBMZONRDFAZ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(CC(=O)[C@@H]2CCC23CCC3)C[C@H](C)C1	2047961474	ITBCWSFRQQVAIU-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C1CC1)[C@@H]1CCCCC12CCCCC2	2048127020	GVKHZORVXLXVLW-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC([C@H](C)NCC2CC=CC2)CC1	2049424563	ILVVCQCSJSFULJ-UQPPLGOBSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc2nc([C@@H]3CCCC(C)(C)C3)[nH]c12	2049573251	GUDMBRBZDVNAKU-GFCCVEGCSA-N	242.366	4.555	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1CC1CCC2(CC1)CC2	2049847826	FANJSOJXFGHBKW-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049862642	WMEUJVGDDQKEHQ-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@@]1(C)C=CCCC1	2049992405	NZOBZKPDRMTHIP-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC[C@]1(C)CCCN(CC2CCC=CCC2)CC1	2051603684	BIFXMTUXJQXUQH-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CC1CCC(C(=O)[C@@H]2CCCCC23CCC3)CC1	2053362790	ZEIOYBKEZPEBGQ-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@@H]1CCCCC12CC2	2053410852	HDASLELZMRREIA-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](c2ccccc2C(C)C)C1	2055140528	XYUQSLURENZQGE-KBPBESRZSA-N	244.378	4.673	0	10	BJAE	
CCCC[C@@H](CC)CO[C@@H](C)c1ccccc1N	2056115540	HWCIGNORAZBIMG-UONOGXRCSA-N	249.398	4.563	0	10	BJAE	
CCC[C@H]1NCC[C@@]12CCCCC21CCCCC1	2058475527	MMDQFGIAXDLEQT-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2059206312	KVANUIVHVLPQPM-UNCVUKBVSA-N	248.410	4.908	0	10	BJAE	
C/C=C/CCC[C@H](NC)C(C1CCC1)C1CCC1	2059250113	NPNSAIQPSSQETL-CWDCEQMOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)C1=CC[C@@H](C)CC1	2060931016	XBXNYSLZFPOCNU-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(O)CCCCC23CCC3)CC1	2061084851	MZTZTOJSHXGIBS-PBHICJAKSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC=C([C@]2(N)CCCCCC2(C)C)CC1	2061110453	GTVOBZUUYXSMNA-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCCCC[C@H]2CC)CC1	2061116352	PKLMXRIKTALDHT-BFYDXBDKSA-N	249.442	4.811	0	10	BJAE	
CCC1CCC(C(=O)CC[C@]23CCC[C@H]2C3)CC1	2061604741	BHUDSAIGBAQXAJ-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2CC(=C3CCC3)C2)C1	2061731516	UNPJWTNBYYONPN-TZMCWYRMSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](CC1CC(=C2CC2)C1)[C@H](CC)C(C)C	2061731984	ZEBRWKCISVIXPH-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)C1CC(=C2CCC2)C1	2061734695	PXFRJGZPBUECLH-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
O=C(CCC1CCCC1)CC1C[C@@H]2CCC[C@H]2C1	2063418274	KIXJVUWIMTXCEI-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063536418	RUYXOCHQIKGCQS-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](NCCC12CCC(CC1)CC2)C1CC1	2065257554	DIVNVCLBKXOMMN-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CC12CCC(CC1)C2	2065273826	AYAXKITYACUVJN-CGBMDKKTSA-N	246.394	4.518	0	10	BJAE	
NC[C@H]1CCCCC[C@H]1CC12CCC(CC1)CC2	2065337376	ACNQHBUCIFGXQD-VUROTCPHSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](CCC(C)C)NC1CC2(C1)CC21CCC1	2065988916	YFCXEYNCDLMNRP-UQPPLGOBSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(NCC2(C)CCCCC2)n1	2066346087	CXXVBYIKBHISOO-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CN[C@@H](CC(C(C)C)C(C)C)c1ccccc1C	2068820298	QANABHDWUVJPDI-KRWDZBQOSA-N	247.426	4.574	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CC1(C(C)C)CCC1	2071917109	HLBBWOFNAJOYFW-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@@H]2CC23CCCC3)CCC1	2071919887	PGICPJMOJAMMMO-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CC2(C(C)(C)C)CCC2)cc1	2071920265	UALWXOCIRHNVEZ-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CCCCc1ccc(C(=O)CC[C@@H]2C[C@@H]2C)cc1	2072078987	CLBYVMQSABLKNI-XJKSGUPXSA-N	244.378	4.648	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)c1ccc(C(C)(C)C)cc1	2072091872	ACHBQHYQSIDETQ-GXTWGEPZSA-N	244.378	4.603	0	10	BJAE	
CC[C@H]1CC[C@H](CNC2CC3(CCCC3)C2)CC1	2072695568	IDBUVVGBGJBNHE-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@H]2CCCC(C)=C2C)CC1	2072806971	QPDKUCASKWUXDA-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@]23CCCC[C@H]2C3)CC1	2072875515	OYPXHRYGSBTWRD-QBYUYEEZSA-N	248.410	4.742	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2CC[C@@H]3C[C@H]32)CC1	2072876187	XBPRAYQTKNKMKY-KDQUWOQTSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(CC(=O)[C@]2(C)C=CCCC2)CC1	2072881521	KEKGDEBAPPPPSQ-VMBOVVBDSA-N	248.410	4.908	0	10	BJAE	
CCCC[C@@H](CC)Nc1nccc2ccccc12	2073292836	AXBNXUZQMHPIQN-CQSZACIVSA-N	242.366	4.616	0	10	BJAE	
CC(C)c1ccc(NC[C@]23CCCC[C@H]2C3)cc1	2074047005	NRWCRXSJCXQASL-DOTOQJQBSA-N	243.394	4.802	0	10	BJAE	
CCC1CCC(N(C)[C@@H]2CCCC23CCC3)CC1	2074861753	GSZOJBPMOLDLRT-UYSNPLJNSA-N	249.442	4.610	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1C=CCCCC1	2075361912	DDMGPFXXNLIAGN-AWEZNQCLSA-N	243.394	4.895	0	10	BJAE	
C[C@]1(CNc2ccccc2C2CC2)CC=CCC1	2077265290	OMMXNNBDYVPDJU-KRWDZBQOSA-N	241.378	4.722	0	10	BJAE	
CCCCCc1ccc(C(=O)C2CC(CC)C2)o1	2077975862	MTEQFCWNHUNZKP-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1C[C@H]1C1CCCCCC1	2079426356	ALEACHQSXAAHTB-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@](O)(CCC)c1ccccc1	2079552025	BTPRLRAPHDHFPK-BFYDXBDKSA-N	246.394	4.501	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2C[C@@H]2C2CCCCC2)CCCC1	2079817941	HDHMHUYKLWKQBJ-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@](C)(N)CCC(C)(C)CC	2081220717	ZMEGYCVOHSXDRY-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCCNC[C@@]1(CC=C2CCC2)CC[C@@H](CC)C1	2081676047	FCQUYZQVYIHBQB-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](CC1CC(CC)C1)C[C@@H]1CC=CCC1	2084997801	LEIHUHAWUKYNGN-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCCCC1CC1	2211105479	PHGULNHIOUBWLR-CQSZACIVSA-N	224.388	4.742	0	10	BJAE	
Clc1cc2ccccc2c(-c2ccsc2)n1	2212518663	YYXDGYUOKYLNBP-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CC1CC(C)([C@H](O)CCCCCCC2CC2)C1	2213577495	CFWFPSRBQXDCQD-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)c1cccc2ccsc12	2215061812	KLKUCKWPZMKVOQ-PWSUYJOCSA-N	244.359	4.520	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC[C@H]1C[C@H]1C	2215333774	QBLYZEMIFNCUGG-HIFRSBDPSA-N	232.367	4.543	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC[C@H]1C[C@H]1CC	2215346396	PVHHUNNVSJBTIA-QLFBSQMISA-N	238.415	4.844	0	10	BJAE	
CC[C@H](O)CCC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216765048	KKBGMMGRZIVDAO-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
C[C@H](NCCCCCCCC1CC1)C(C)(C)C	2216870177	JMPPZEVVEYHBFO-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC=C1CCC[C@H]2CNCC[C@H]12	2218416714	LGNRBPBNOCDIDZ-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
NCC[C@H]1CCCC(=CCCCCCC2CC2)C1	2218726260	PMTAHANHKKJMGB-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CC[C@H]2C[C@H]2CC1	2218728408	YYBSMIRBEBMKNS-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CNC[C@@]1(CCCCC2CC2)CCCCC12CC2	2220038848	HYMVVPOODHCLBL-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@H]2CCCC3(CC3)C2)C1	2221084623	VZNIZMVIFNVASV-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(N(C)C[C@H]2CC=C(C)CC2)CC1	2221610600	USEFYMGZEYTTER-CGZBRXJRSA-N	249.442	4.633	0	10	BJAE	
CC[C@H]1CC[C@H](CNC[C@H]2CC=C(C)CC2)CC1	2221613160	BYJZWTHRLIUVPQ-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC1=CC[C@H](CNCC(C)(C)C2CCCC2)CC1	2221663245	SHHQLHQITINPTQ-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(O)cc(C)c1NC1CCCCCCC1	2223332058	GFERFEFDDJSPEN-UHFFFAOYSA-N	247.382	4.534	0	10	BJAE	
Fc1ccc(Cl)c(CCC2=CCCCC2)c1	2243235160	AYXJQZOPLPGCFB-UHFFFAOYSA-N	238.733	4.912	0	10	BJAE	
CCc1cc(Cl)ccc1C(=O)C[C@@H](C)CC	2243656743	PLMUHVNYPNEOOU-JTQLQIEISA-N	238.758	4.521	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](C)c1sccc1C	2244794266	CGPMTRBSDIUHIE-STQMWFEESA-N	239.428	4.533	0	10	BJAE	
CC(=O)[C@@H](CC[C@@H]1CCCCC12CC2)C(C)C	2246636095	CQNSYOORJGNOEL-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)CNCC[C@H]1CCC[C@@H](C)C1	2246686768	JBPIAOOFVNMWIV-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC)CCCC[C@@H]1CCC[C@@H](C)C1	2246726628	KSRWQUGPEDTPEI-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CCCC[C@@H]1C[C@@H]1C)NCC	2247166151	ORJSPXMANXKCQQ-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(-c2ccc(O)cc2)cc2ccsc12	2248554835	ATLYPCCTACUSQJ-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CC1CC(C)(C(=O)CCCCC[C@H]2C[C@H]2C)C1	2248856300	IKMQAQBHWXUJCK-IQXANGCESA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(=O)c1ccc(C2CCC2)s1)C1CC1	2250279483	KPXFFYPQIZRWDW-JTQLQIEISA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1(C)CC(C)(C)C1)NC	2250367194	NZBZQWSGABQQDY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)C1CCC(CC)CC1	2250367264	PEXGRKQMZZHDEQ-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)C1CC(F)C1	2250482936	XUJIHUICBGZXNR-IYXRBSQSSA-N	242.378	4.546	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@]12CCCC[C@H]1CC2	2251110917	LINFYSFVDUHZCA-BBRMVZONSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@@]12CCCC[C@H]1CC2	2251218626	UIFMARRIWSNEHR-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC1([C@@H](N)CC2CC3(CCCC3)C2)CC1	2254116875	WIIBPESNCWNUQL-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CCC1(C)C)c1ccccc1	2254957631	GBRFKIJZHMXTLM-UKRRQHHQSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H](N)[C@H]1CCCCC12CCC2	2255009614	BEETYHQHNJQGFX-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@@]1(CC2=CCCCC2)CC[C@H](C)C1	2255098226	ALLFHNJLQHMDJS-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(NCC[C@H]2CCCC23CC3)CCC1	2255285468	XLHNGEGVJBEDBE-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)cc(NCC[C@H]2CCCC23CC3)c1	2255330962	MAICFIJKJLVGMF-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CCc1ccccc1OCCCCC[C@H]1C[C@H]1C	2257248965	RBRYEOUIBRFDNW-ZBFHGGJFSA-N	246.394	4.844	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2CCC23CCC3)c1	2257905296	PSYPNAVXTNCMIJ-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@H]2CCCCCC1CC1	2258101323	FSSFEHZYEZUXEV-ZYGGUILKSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@H]2C=CCCCCC2)cc(C)c1C	2258235309	YGSVKCKJOGPHQO-INIZCTEOSA-N	243.394	4.913	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccccc1C1CCC1	2259438729	YAIODKKGSPPWME-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CCCCC[C@@H](O)c1cccc(C2CCCC2)c1	2260663805	SUCZARFYKUNPOH-QGZVFWFLSA-N	246.394	4.958	0	10	BJAE	
CC(C)(C)CC1CC([C@H](N)C[C@@H]2CC=CCC2)C1	2261202937	OPRAIPDTQWKBJK-PRLABOORSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCCN1CC=C(C)CCCC(C)C	2300888229	MUSSILBNKZQNRR-MRXNPFEDSA-N	237.431	4.633	0	10	BJAE	
CC(=CC[C@](C)(CO)C1CC1)CCCC(C)C	2300895575	ZBJJROTYJYPRSW-MRXNPFEDSA-N	238.415	4.558	0	10	BJAE	
CC(C)CNCC[C@@H](C)CC1CCCCCC1	2301236063	JEUYHPPBIWGQAE-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC2CCCCCC2)CC1	2301242086	OWAQFJHXRBNAAX-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H](C)C(C)(C)C	2301908400	RXMPDZWLVTYWDD-NSHDSACASA-N	237.362	4.796	0	10	BJAE	
Cc1sccc1C(=O)CCCC1=CCCCC1	2302355662	DRNLNTMYKXACFR-UHFFFAOYSA-N	248.391	4.910	0	10	BJAE	
CCC(CC)CCNC[C@H]1CCC(C)=C(C)C1	2303458191	CVXIVODFQPRQHP-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@@H]1CC[C@@H]1C(C)(C)C	2303471211	LCQFAUYBUFONBF-HEHGZKQESA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CC)C1CCCCC1	2307816345	DFHXIKGQAHIERE-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)C(C)(C)C1CC1	2307905071	VOZBLYZVIDMRSB-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@@H](CC[C@@]23CCC[C@@H]2C3)NC)CCCC1	2310374728	DEAXARAQCFDXGL-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)C[C@@]12CCCC[C@@H]1C2	2311147624	JQBVFWCIJUPOLZ-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2	2312903269	NXEOFULVQATUPL-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@]23CCC[C@@H]2CC3)C1	2313312355	MNJPNQCRTCCCCZ-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H]1[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2313346408	OZWXLHPRUQRKIR-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1C[C@@H]2CCC[C@@H]21	2315887216	LTTKRVDXWWJUGG-ZOBUZTSGSA-N	243.394	4.719	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CC2CCC1CC2	2316505173	XVGNKPQHTYAMOO-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@]12CCC[C@@H]1CC2	2317961435	FOPDPVBYHMLZOA-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C1CC=CC1)N(C)CCCC1=CCCCC1	2318575381	DUGPUTVNQFJKQW-OAHLLOKOSA-N	247.426	4.554	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCCC[C@@H]3C[C@H]23)cc1	2319328022	BBWVUGAEDHXUMM-PVAVHDDUSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC[C@@H]2C[C@H]12)C1CCCCC1	2319442216	ZWLCEKIYIRJSMV-TWMKSMIVSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H]2CCCC(C)=C2C)CC1	2320414022	PYTPNVJUGOSBOX-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H](C2CC2)C(C)(C)C)CC1	2320414236	REFYVMOVZHPRCY-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)Cc1cccc(C(C)C)c1	2320662754	HAXSCMIHEXRMIA-RDJZCZTQSA-N	247.426	4.506	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCCC[C@@H]3C[C@@H]32)C1	2321603205	PKGUGQXPCVLMIA-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cc(C)ccc1C(C)C	2327698037	XIFZIBUCXHEYSX-RHSMWYFYSA-N	247.426	4.945	0	10	BJAE	
CCCCN[C@H](CCC)c1ccc(Cl)cc1	21520692	OKXLMFJTNBYMMF-CQSZACIVSA-N	239.790	4.571	0	10	BJAE	
CCc1ccc(N[C@@H](C)c2ccc(C)s2)cc1	21819946	LECUUUKLMJLLKD-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
Cc1nc2ccc(Cl)cc2c(Cl)c1Cl	68135604	FXLLEAIWXDDDGT-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CC1(C)CCC(Nc2cccc(Cl)c2)CC1	70653820	IEYHCVDFOVKBBZ-UHFFFAOYSA-N	237.774	4.721	0	10	BJAE	
C[C@H]1C[C@H](CCC(=O)c2ccccc2)CC[C@H]1C	85037983	VWRJVFZZGQZJRC-ILXRZTDVSA-N	244.378	4.722	0	10	BJAE	
Cc1ccc(-c2c(C)cccc2Cl)c(F)c1	85389168	LYQVNJDWDNNRNN-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
CCCC1CCC([C@@H](NCC)c2ccoc2)CC1	87964271	IOTLIONGZOBETH-ZBCRRDGASA-N	249.398	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCCC2(C)C)CC1	94323507	GOVOIXLFBKAVDH-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C1CCCCC1	109726813	XHSZIIPNZMAULO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)(CNC(C)C)c1ccccc1	110250675	DSRQZOWIHNJCHO-UHFFFAOYSA-N	247.426	4.523	0	10	BJAE	
Cc1cc(C)c([C@@H](C)NCCC(C)(C)C)c(C)c1	123884165	YRTZMZVBSBVGEM-OAHLLOKOSA-N	247.426	4.699	0	10	BJAE	
CCCCC[C@H](NCC)c1cc(C)c(C)s1	125361880	RVDOSABLZBPJGY-ZDUSSCGKSA-N	239.428	4.596	0	10	BJAE	
CCCCCC(=O)c1ccccc1C1CCC1	128305536	VDKWGKDSIGGCHV-UHFFFAOYSA-N	230.351	4.717	0	10	BJAE	
CCc1cccc2ccn(Cc3ccccc3C)c12	128413817	GBUBAHOMEHPGAJ-UHFFFAOYSA-N	249.357	4.560	0	10	BJAE	
CCCc1csc([C@H]2CCC[C@H](CC)C2)n1	132080639	JLJZWRABXGUWCA-RYUDHWBXSA-N	237.412	4.779	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc([C@H](C)CC)cc1	167178023	QYNOOLJGYCFAKE-CHWSQXEVSA-N	232.367	4.819	0	10	BJAE	
CCC(CC)C[C@]1(O)CC[C@@H](C)c2ccccc21	167664911	GUCQMBSEPRUPJJ-CXAGYDPISA-N	246.394	4.598	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)C1CCCCCC1	168020432	QHFDAEPYRULEKA-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)C1=CCCCCC1	203425411	MFOPFJVYMBMSJV-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCCCCCNCCCC1CCCCC1	205185108	RMYSRSNLPGJOGE-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
CC(C)=CCN[C@@H](C)c1cc2ccccc2s1	228842946	UAVPDZPVVWBCGJ-LBPRGKRZSA-N	245.391	4.518	0	10	BJAE	
CCN[C@H](CC1CCCC1)C1(C)CCCCC1	233623931	LEMSNQXQALTUME-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CCC[C@@H](C)C2)C1	251800590	YEKMKDASFUDEHD-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCCCc1ccc([C@@H](N)[C@@H](C)CCCC)cc1	302308239	FPGGZCBIFZIOPC-YOEHRIQHSA-N	247.426	4.855	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1ccc(C(C)C)cc1	302487949	ZKSCPYITTUFSNK-CJNGLKHVSA-N	233.399	4.636	0	10	BJAE	
CC[C@H](N[C@@H]1/C=C/CCCCC1)C1CCCCC1	302528183	XFTBFBAVSXUVQQ-FIRJTHROSA-N	249.442	4.824	0	10	BJAE	
CC[C@H](NC)c1ccc(C2=CC[C@H](C)CC2)cc1	306095663	MILGQZOQPDDHRV-GUYCJALGSA-N	243.394	4.561	0	10	BJAE	
CSc1c(Cl)cc(Cl)c2ccsc12	307721344	WAIGHFGDRHFOOS-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCCCC[C@@H]1C[C@H](C)c2ccccc2N1	309264488	DZPXSEHBLCFYII-QWHCGFSZSA-N	217.356	4.555	0	10	BJAE	
CCC1(C/C(C)=C\CCNC(C)(C)C)CCC1	310132421	KYYZBUOBLBRAMT-ZROIWOOFSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)c1ccccc1C(C)C	310809621	GBHOKAUUQWLLDW-HUUCEWRRSA-N	247.426	4.692	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNCCC2(C)CCCC2)C1	310998236	HWSDWMGSXRIOTP-GDBMZVCRSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@H]1CC)C1CCCC1	313422750	FOJUACPQYCEMSY-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC(N)(CC2(C)CCCC2)CC1	383595331	OWDUFQDVKYJZHS-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC1(CC)CCC1)NCCC	390162888	CQLGJDIABITHQL-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@@H](C)C1CCC1	398698978	SDWZAFLRSZBZRD-HIFRSBDPSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)c1ccc([C@H](N)CCC2CCC2)cc1	398802530	OGKLGQSTKFUNTO-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CCCc1ccccc1[C@@H](NC)[C@@H](C)C(C)(C)C	399081284	XIZRACWXLDMXFJ-CJNGLKHVSA-N	247.426	4.582	0	10	BJAE	
CCN[C@H](CC1=CCCC1)C[C@@H](C)C(C)(C)C	401086102	RETFPYVJKCWARZ-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1cccc(C)c1	401861472	ZHDNBEKNLSDKCU-LSDHHAIUSA-N	231.383	4.623	0	10	BJAE	
CC1(C)CC([C@H](N)c2ccccc2)CC(C)(C)C1	688346210	QMIREPGJWIIBMQ-OAHLLOKOSA-N	245.410	4.539	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCC(C)(C)C(C)(C)C	691098693	JIWPUOPDOVRANT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1NC1CCCCC1	691156574	LNVQOSYAWCEHKH-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@@H]1CCC[C@@H](C)C1	691190897	XPDYVXVPQUGNTP-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1ccccc1C(C)C	696266863	MGLCOSFSBUANBN-HNNXBMFYSA-N	233.399	4.636	0	10	BJAE	
CCC(C)(C)CC[C@@](O)(CCC(C)C)C1CC1	696680743	YRHDMGLKNCEANW-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC(=O)c1cc(C)c(C)cc1C	697260723	IWFGIRBJLXVZBP-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
CC(C)=CCC[C@H]1C[C@@H](C(C)(C)C)CCC1=O	697835257	KLFBVLWEYTXJTR-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
CCC[C@H](NC1C[C@H]2CC[C@H](C1)C2)C1CCCC1	697956143	COMKCQYSBXABAF-ZQIUZPCESA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C1CCC1)C(C)(CC)CC	701251485	BGTMMLYXZNUDTQ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC([C@@]2(N)CCCC23CCCC3)C[C@H](C)C1	704447611	QBMLLWALNJEYRV-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@H]1C[C@@H](C)Nc2ccccc21	704882331	ZXHRKSLWJPAXQR-KNCOVGOOSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@H](CC)C[C@](N)(CCC)C1CCC1	705367206	FCAUZEPGEUXDLS-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@@]1(C)C[C@@H]1C	707744274	UXDNSNRBONTZLU-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
CC(C)CNCC(C)(C)C[C@@H](C)CC(C)(C)C	709105791	NOSUNPTYMSRXPL-AWEZNQCLSA-N	241.463	4.721	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NC1CCC2(CC1)CC2	709990741	RPMPCSRJNUTRQA-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](N)CC(C)(C)C	713161874	URONACISAGGNBX-BPUTZDHNSA-N	247.426	4.580	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@H](N)CC(C)(C)C	713161877	URONACISAGGNBX-IMJJTQAJSA-N	247.426	4.580	0	10	BJAE	
C=C/C=C/CC[C@]1(CNCCC)CCCC[C@H]1C	713718127	LGDBKTIDMPCXKV-KGVXHEBISA-N	249.442	4.705	0	10	BJAE	
C/C=C/C[C@H](CC)c1ccc(C)cc1C	714561014	RTDXYPNGVFQKBU-DYLGSBMWSA-N	202.341	4.763	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	716985299	HXBVRFQQZHMZLN-AYDFFVQHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)(C)C[C@H]1O	717488192	LCIILGGCVVQRTA-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1CCCC1(C)C	719290667	IXZVSTDRHNHGKP-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)[C@@H]1[C@H](C)CNC1(CC)CC	721883781	LTTYGLQSNFKYDL-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NC[C@@H](C)CC(C)C)C1CCC1	1307666080	ALTBDWKPHJPFFE-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(SC[C@@H]2CCCC[C@@H]2C)cc1	1472938399	HHIPCLNKXGQXLS-KBPBESRZSA-N	234.408	4.913	0	10	BJAE	
CCC1(CC)CCN([C@H]2C=CCCCCC2)CC1	1473395779	WKRHTUGQIRWNNC-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CCCC[C@@H](CC)CN(C)C[C@H](C)C(C)(C)C	1560127952	ZVYIRTLUYZQYDE-LSDHHAIUSA-N	241.463	4.817	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNCC1(C)CCCCC1	1560491766	XUVCJAHAYNPSJC-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CCc1ccccc1CCSC(CC)CC	1640900634	FGNDKMXZFAVZNV-UHFFFAOYSA-N	236.424	4.713	0	10	BJAE	
CC1(C)CCC[C@@H](CNC2CCC3(CC2)CC3)C1	1662391501	WFSCPTVVCUUWPA-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
Cc1c(C=C(F)F)ccc(Cl)c1Cl	1889192291	CHPPKIYJRXYPHU-UHFFFAOYSA-N	223.049	4.539	0	10	BJAE	
CCC[C@@H](C)[C@H](CCC(CC)CC)NCC	1900701738	GOWPOMOKOZLFGY-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CCCC[C@H]1CC	1900840459	NESCCZYODYLEQK-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1cccc2sccc12	1909581441	YUGIDFWIPXMLDI-MNOVXSKESA-N	244.359	4.520	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@@H]1C[C@H]1C(C)(C)C	1910697461	YKWKXCDFJXCVBF-LZWOXQAQSA-N	238.415	4.556	0	10	BJAE	
C[C@@H]1CCC[C@H]1CN[C@H]1CCC2(CCCCC2)C1	1915901137	CLZBJECYOBIRBN-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CCC2(CCCC2)C1	1916399729	IPNYWLZUEYFHPN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@@H](C)CCC(C)C	1920200262	YUXPTOWGSWAKOF-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
Cc1ccc([C@](C)(N)CC(C)(C)C(C)C)c(C)c1	1920485000	UQKSXOZWTXBHHU-QGZVFWFLSA-N	247.426	4.550	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)[C@@]12CCCC[C@@H]1CCC2	1921418992	JQYASCKQIZKYFU-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1OCC[C@H]1CC1(C)C	1921467572	BEERVSIUMRZFBG-ZDUSSCGKSA-N	232.367	4.625	0	10	BJAE	
CCCC1CCC(N)(CC[C@@H]2CC2(C)C)CC1	1921541859	UBKDJYPLCWUQAB-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C=CCCCC1)C1CCCC1	1925734724	AXLFQOJUNYZHSO-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCCc1cccc(C[C@H]2C=CCCCC2)c1	1925831804	CRQKOKMMNKZDRS-INIZCTEOSA-N	228.379	4.928	0	10	BJAE	
CCC(CC)CCNc1ccc(SC)cc1	1926133926	PRGSFMBCEHLVAA-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CC(=Cc1ccsc1Cl)c1cccc(N)c1	1935999408	MNXMRDKMYYUWTD-UHFFFAOYSA-N	249.766	4.544	0	10	BJAE	
Cc1cc(N[C@@H]2CCCCC23CCC3)cs1	1938717823	AQWXQAXYVDQOQM-CYBMUJFWSA-N	235.396	4.581	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](C)C(C(C)C)C(C)C	1940246906	VOYDYBAVNAEZNB-KBPBESRZSA-N	241.463	4.717	0	10	BJAE	
CSc1ccccc1C(=O)CCCC1(C)CC1	1940879411	ZCAHLDHFUNKRKH-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CCCC(C)C)NCC	1941262234	BALWMHGOVSTQMJ-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@]1(N)CCC1CCC1	1941474722	ZOEMYOUOMRBNAG-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)CC1CCC=CCC1	1941794494	ZIJKHPXENROZOH-UKRRQHHQSA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H]([C@@H](C)CCC(C)C)C1	1942654466	ARAGWHQFWUYDRR-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@]1(N)CCCC(C)(C)CC1	1944819801	MQFHBFOTMSSMIY-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)C[C@@H]1CCC[C@H]1C	1944835666	DORBBOOKNFEQAI-FXUDXRNXSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H](O)CC1CCCCCC1	1944839621	LPWXTUKNCLIOFS-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C(CCC)CCC)[C@H]1CC1(C)C	1945822324	GUWIMOJNGFTWJH-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(C(=O)[C@@H]2CC2(C)C)CC1	1945904481	JKFLPTJJPSFZPC-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C=CCCC1)C(C)(C)C	1947584304	FRGLSMOIJUENFP-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)CNCC1CC(C)(CC)C1	1948406234	XPSXVEPDOCXPED-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCC[C@]1(N)C[C@@H](C)CCC1=C(C)C	1949026241	YCBJZZQBGZGLLH-HOCLYGCPSA-N	235.415	4.587	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H]1C=CCCCC1	1949138725	GTHOIUNSXTVFDJ-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
Cc1cccc(NC[C@@H]2CC23CCCC3)c1Cl	1950668191	KTDZGOYDYBFXDP-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CCC[C@H](C)CNC[C@H]1CCCC(C)(C)CC1	1950923280	SPCXBLBTPMVBBG-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCC=C[C@H](C)Cc1cc(C)c(OCC)cc1C	1951308581	JFYFYSHOCMNCFV-ZDUSSCGKSA-N	246.394	4.847	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H](C)CCCC(C)C	1968312747	PORAZDZIUGBSRW-ZDUSSCGKSA-N	237.362	4.761	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC[C@@H]2C(C)C)cc1	1968408755	YDOPFWCJOWKCCJ-IAGOWNOFSA-N	245.410	4.876	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1969956029	XYEMNTJADQLLKL-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CC(C)Sc1ccccc1N[C@H]1CCC[C@H]1C	1970342977	MMVVDADMEOMJPU-OLZOCXBDSA-N	249.423	4.788	0	10	BJAE	
C[C@@H]1[C@@H](N[C@@H]2CCCCC23CCC3)CCC[C@H]1C	1972828902	GJYUZPKCPSOSQV-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC[C@]1(C)C[C@H]1N[C@@H]1CCCC2(CCCCC2)C1	1973342032	MTYSKPBPXWOKRJ-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCCC(C)(C)CNC1CCCCCCC1	1976005355	HLHQVWKZQYXEDB-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCc1csc([C@@H]2CCC[C@H](CC)CC2)n1	1976348276	AXZOCIQXMQALSW-NWDGAFQWSA-N	237.412	4.779	0	10	BJAE	
CCCC1(C(=O)CCCC(C)(C)C)CCC1	1978428745	QGDPULOQPOVSNB-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](C)C[C@@H](CCCC(C)C)NCC	1978531525	PBAQOHQUXUNFOA-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](C(=O)c1csc(C(F)F)c1)C(C)(C)C	1978581747	CDMIYQYQZPLNHW-ZETCQYMHSA-N	246.322	4.551	0	10	BJAE	
CC[C@@H](CNc1ccc(F)cc1Cl)C(C)C	1988765069	QSBCYBOHWKYXOH-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C(C)=C(C)C	1989668826	MWZCHSMRIDHTSA-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
Cc1cc(-c2cc(=S)c(C)c[nH]2)ccc1Cl	1993673626	RNQXGBYTUNXNLX-UHFFFAOYSA-N	249.766	4.681	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CCC1CCC1	1995259106	KGCOZDAYWABCDA-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NC)c1ccsc1	1995259203	KZYJKMXMTNYFJI-OCCSQVGLSA-N	239.428	4.615	0	10	BJAE	
C1=CC[C@H](c2nc(C3CCCC3)cs2)CC1	1995498442	OQSBJECAPBUFBZ-LBPRGKRZSA-N	233.380	4.624	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CC[C@@H](C)C1)NCC	1996248688	XPCAOHLBKDYNQO-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC[C@]1(C[C@H]2CC[C@H](C)C2)CCCCCN1	1996259456	HLSSTFCXIXPPFC-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)N[C@@H](CC)C1CCC(C)(C)CC1	1996592877	DNPJAYZBTZTPHU-HNNXBMFYSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](c1cccs1)[C@@]1(C)CC=CCC1	1997547368	WNLFGORECFQCOY-GJZGRUSLSA-N	249.423	4.535	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC1CC(C)(C)C(C)(C)C1	1997808492	QYKFNAWMEVYYHU-GFCCVEGCSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCCC(=O)CC1CC(C(C)(C)C)C1	2000192069	NIPGOFJPDHAWHA-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)c1cc(C)sc1C	2000306312	CFBKHVNJOOMPHZ-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CCC[C@](C)(CNCC)[C@H]1CCC[C@H](CC)C1	2000521604	WQWNDSRNWPGOKX-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)[C@H]1C=CCCC1	2000523716	RNRDZPRHUMAGFF-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C[C@@H]1CC12CCCC2)NCCC	2001219980	RKHCYBHUDZQPTN-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@H]1CC12CCCCC2	2001261954	JRNSVYZBADLLRA-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@@]1(C)CC=CCC1	2001702026	XLCMDRMLLBEVFO-HNNXBMFYSA-N	249.785	4.807	0	10	BJAE	
CC[C@](O)(C[C@@H]1CCCC2(CC2)C1)C(C)(C)C	2003208632	OXVHSZUDXGACLB-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCCCCC(=O)C[C@H]1CCCC2(CC2)C1	2003283322	XDEJSOIKQMNHJO-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
CCC[C@H](NCC)C1CCC(CC)(CC)CC1	2004337303	PVCGFIHEIPWYJV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCCCC12CC2	2005562869	FXUCCUZEOKGKFV-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@](C)(O)C1CC(C2CCC2)C1	2008373254	NGRANNPLUVRMRD-GPANFISMSA-N	238.415	4.534	0	10	BJAE	
CC1(CCC2(O)CCC(C(C)(C)C)CC2)CC1	2009543503	HFHPRAFJNPKHCI-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCCNc1cc(CC)ccc1CC	2009593700	CERSGAVQMRHNQA-QPJJXVBHSA-N	231.383	4.580	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCNC2(CCC2)C1	2011863531	VXKRDEVNAAHNIP-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@H](N)C[C@@H](CC2(C)CCCCC2)C1	2012053267	BYNBTTODWPNWEX-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CNC12CCCC1CCC2	2012150405	IPOGIMJOVXJDII-QQFBHYJXSA-N	237.431	4.515	0	10	BJAE	
CCNC[C@@](CC)(C[C@H](C)CC(C)C)C(C)C	2012418143	ZMTRHBKGQFHKCG-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CCNC[C@@](CC)(CC1CCCCC1)C(C)C	2012420802	FRUUDSSMZMISRL-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@](N)(CCC(C)C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2013272799	FNFYSDVUGZMFKA-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CC1(C[C@](C)(N)C2(C)CCCC2)CCCCC1	2014337567	DMRHNKVKCRCDKG-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)[C@H]1CCC1(C)C	2014904084	VEVRHFNGPWXNMJ-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@@H](C)C(C)C	2015270697	KZMFYCGJFGSOKC-CJNGLKHVSA-N	234.383	4.526	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CC[C@H](CC)C2)CCC1	2015641336	CQKKZJCGDYPTEW-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@](C)(N)C2CC(C)(C)C2)CCC1	2015642706	TVMURSCXEYOCEO-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](N)C2(C(C)C)CCC2)CCC1	2015644281	LHNSJKYFVHVLNR-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@H](CC[C@@H]1C[C@@H]1C)NCCC	2017242271	KHTJNQMDKSWMRN-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@H]1CC[C@H](C)CC1	2017719255	AIFYFSYZUITQQI-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)N(C)C[C@H]1CC[C@H](CC)CC1	2019482510	YENKHKYTFHETKH-BZUAXINKSA-N	239.447	4.713	0	10	BJAE	
C[C@H]1CCC[C@](O)(CCC2=CCCCC2)CC1	2019783323	YVOAGDQQNPQUIC-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H]1CCCC(C)(C)C1=O	2020394996	YTGHARBKORNTNI-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2022557451	OJVYJFWIMTWBCV-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1C[C@H]1C(C)(C)C	2022559754	ITTCFPAVFOBXTQ-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)N(C)C[C@@H]1CCCC(C)(C)C1	2024104719	XEJNEGXVSCIXAD-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CCC2CCCCC2)C1	2024122672	GHBSGWNCDXZUEM-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
C=C=CCC[C@@H](CC[C@H](C)CCCC)NCC	2026057970	BGJDYYDZAGIVBA-CVEARBPZSA-N	237.431	4.692	0	10	BJAE	
CC1CC(CC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1	2027588769	QVJKTYBHVSOWHR-MTERUZRBSA-N	248.410	4.598	0	10	BJAE	
CC1(CCCN[C@H]2CCCC23CCCCC3)CC1	2027822089	ONQXTWLAFIHNFZ-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCCc1ccccc1[C@@H](NC)[C@@H](CC)C(C)C	2028250927	BNGOZZDNHYOUQI-RDJZCZTQSA-N	247.426	4.582	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](NC)c1cccc(C(C)C)c1	2028254132	DENIWLGYPPGOQJ-IRXDYDNUSA-N	247.426	4.753	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CCCCCC1CC1	2028632378	ZAJZBFKXMNKCEB-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
CC1(C)CCC(C(=O)CC2CCC=CCC2)CC1	2028873634	CYCIEPGCYJQZIH-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNCC2CCC=CCC2)C1	2028891459	IECRZKWLPWBBTG-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
O[C@H](C1=CCCCCC1)[C@]12CCCC[C@@H]1CCC2	2031749754	LNWSRNVITAEZHX-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC1(CNC(C)(C)C)CC=CC1	2032505413	IBDYICQXUFFTFG-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC1[C@@H]2CCCC[C@@H]12	2032814307	AIGQJVLSUAWCTO-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C(CCNC1C[C@H]2CCCC[C@@H]2C1)CCC1CC1	2034138089	RWBNAETUYAJTCP-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCNCC1(C[C@H]2C=CCC2)CCCCCC1	2035587582	CCQGDHNJLNXVQK-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCC/C=C/CNc1cccc(O[C@@H](C)CC)c1	2036762499	BFHSYOADJIFMIE-NPQIQWPPSA-N	247.382	4.632	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)[C@H]1CCC2(CCCC2)C1	2037585024	OTYLLYKGTMTBQJ-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@H]1CCC(C)(C)C(=O)C1)c1ccccc1	2037873903	BTOIPHQBNWSGKM-KBPBESRZSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H](NC[C@@H]1CC12CCCC2)C1CCCCC1	2039077854	CMZZDXZGVAOKHV-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC12CCC(CC1)C2	2039422713	WYKSVOGZJLUHHI-GWUWNPHMSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H]1C)[C@]1(C)CC=CCC1	2042028677	YZRJXPWVCXWWAF-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@]1(C)CC=CCC1	2042030758	OQQZOANPYIQYNS-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@]12CCCC[C@H]1C2	2045314206	HVVVILRNJMRKAW-HLLBOEOZSA-N	246.394	4.662	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1	2045682198	JGLLQZSCZKPTRJ-AFHWFKKNSA-N	248.410	4.620	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2CC23CCCC3)C1	2047061698	HVTYAMKSWWSBCN-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@@H]1CCC12CCC2	2047937473	YBNJYZZIYHUOKZ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2CCC3(CCCN3)CC2)C1	2048950353	JFZRWYWRNKNSEE-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1OC1[C@H]2CCCCC[C@H]12	2049191368	KOEJIVVZQNXWRV-GJZGRUSLSA-N	244.378	4.768	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2CCCC3(CC3)C2)C1	2049853518	HGNFKQZNZQQIDK-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@]1(C[C@H]2CCC3(CC3)C2)CCCCCN1	2049863664	HPKCMWFBNQIUAB-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2CC(CC3CC3)C2)C1	2050217088	OUMHYAWJSGMINR-IYOFFGIQSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1C[C@H]2CC[C@H](C1)C2	2051405445	ONSMATBGVLRFHB-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H]1CC2CCC1CC2	2051410145	YBKCBFCBZJOAHT-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(Cl)c(C(F)(F)F)c1C(F)F	2054887655	VZXLDZGLNQZJEW-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CC(C)(C)C1CCC([C@@H](N)C=C2CCCC2)CC1	2056879013	PBKNMYBROZTYMZ-GPANFISMSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)C(C)(C)C1CCCC1	2056881158	HEXDUSDQPGSEDA-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC=CCCCCC[C@@H](NCC)c1ccccc1	2059250349	PRXRTYGLKWHEOY-QGZVFWFLSA-N	245.410	4.864	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CC[C@@]12CCC[C@H]1C2	2061618166	SYISIVPAAQIVEK-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C[C@@H](N)CC1CC(=C2CC2)C1)C(C)(C)C	2061728135	GUQOIRRKZOGBIF-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
CC1(C[C@H]2C[C@@H](N)CC3(CCC3)C2)CCCCC1	2063638576	HAINPELTRLLQTI-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CN[C@H]1C[C@@H](CC2CCCCC2)CC2(CCC2)C1	2063643096	SEDRNDGUSSRQNG-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C1CC2(C1)CC(C)(C)C2	2063803457	IHMMWNBLTDTEAC-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CC12CCC(CC1)CC2	2065337827	CMLDGDHTLRXGJU-XGHPGWEVSA-N	249.442	4.645	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2CCCC3(CC3)C2)CCCC1	2067531255	YFYJNNDGVQUDLQ-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)NC[C@]1(C[C@@H]2C=CCC2)CCC1(C)C	2068235333	DRZZPADJTLIKSI-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)C[C@H]1CC12CCC2	2069196199	GEQOOJBIHNQZIG-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)c2ccc(F)c(C)c2)CCC1	2069282476	KRGMMCXKXYLPQH-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCc1ccc(C(=O)CC2(C(C)C)CCC2)cc1	2071917885	OUEJFZMQYJZFLX-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@@H](CC(C)=C(C)C)c1ccc(F)cc1	2072429987	VEYUISLBFNIFAP-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CC2C[C@@H]3C[C@H]3C2)CC1	2072873457	PDCLFDXINSEROR-RRCSTGOVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@]23CCCC[C@H]2C3)CC1	2074023426	CJLJGQMOEHQDFA-BHYGNILZSA-N	249.442	4.645	0	10	BJAE	
CCCC1(CC(=O)[C@]23CCCC[C@H]2CCC3)CC1	2074591830	VYPOQKRSLRSVMY-YOEHRIQHSA-N	248.410	4.886	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)c1cccc(C)c1C	2074644274	OUHJBVSXGXZGMT-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCN(CC[C@@]12CCC[C@@H]1C2)C1CCCCCC1	2076557848	FRWDARCPDLYBCI-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2C[C@H]3CCC[C@@H]32)c1	2077265459	UGISCXCHXJJVLB-UKPHBRMFSA-N	241.378	4.555	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H]2C[C@@H]2CCC)cc1	2079491593	KIRORZXXUSIZFA-HOTGVXAUSA-N	244.378	4.648	0	10	BJAE	
N[C@H](CC1CCCC1)C[C@H]1C[C@@H]1C1CCCCC1	2079631411	BDFRDWRFOAZHBR-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(CC)[C@H](NC)c1cc(C)cc(C)c1C	2082921833	JNMPNILSZMQZFC-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CCC1(CC)C(=O)[C@H]2CCCC3(CCCCC3)[C@@H]21	2083253055	NYVPXIVXRGXHKA-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCCCCC(=O)CC1C2(CCC2)C12CCC2	2083534290	WXSGHBGOAOLOGB-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCC1CC(C[C@H](C[C@H]2C=CCCCC2)NC)C1	2084996517	VXXMVZKXUYDKNY-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@](C)(O)CCCCCCC1CC1	2210526825	JSJYSHHHENRIFN-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
Cc1csc(C/C=C/c2ccccc2)c1C	2210662034	ISAYXEDAFVZMRQ-RMKNXTFCSA-N	228.360	4.621	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1sc(C)c(C)c1C	2211702977	VJTKOKJLGRIJIN-ZDUSSCGKSA-N	240.412	4.533	0	10	BJAE	
C(=Cc1ccccc1)CC1[C@@H]2CCCCC[C@@H]12	2213825251	RDLRJDGBRLQXOP-HZPDHXFCSA-N	226.363	4.916	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](O)CC(C)(C)C(C)C)CC1	2215811775	FHNUVBODNBACCV-GOEBONIOSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCCCC(F)F	2216511938	KINQIZJPPDGZHB-LBPRGKRZSA-N	248.357	4.988	0	10	BJAE	
CC[C@H](C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(C)=O	2216762501	JMMVQIASRJBWFQ-XUWVNRHRSA-N	236.399	4.598	0	10	BJAE	
CC1(CC(=O)CCCCCCCC2CC2)CC1	2216879078	GQVYJQWZXWNESQ-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCC1([C@H](O)CCCCCCCC2CC2)CC1	2216902722	YFXZNQZODDIDCJ-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)NCC(CC)(CC)[C@H]1CCC1(C)C	2217126862	VAJAKIYLXHKJAY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC1(CNC2CCC2)CCCC1	2217130036	QRDNXAKAHYAYML-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218349040	JQRFAFQUCWAGAB-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCN(C)C1CCC(C2CC2)CC1	2218865221	KRWDYIIFQODFKM-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2(C)CC3(CCC3)C2)C1	2221070993	HHQYAPHVOYIRKG-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@H](N[C@@H](C)[C@H]2CCCC(C)(C)C2)CC1	2221669445	XJZNMOQFDXLMSV-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1(C)CC(C)C1	2242708237	YAFSPGQGAWZGQS-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CCCC(=O)C2CCCC2)C1	2246694402	PSVTVGJTCNRBJP-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)NCC1CC2(CCCC2)C1	2246788157	UJKPWOIHZFONAW-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](O)CC1CCCC1	2247129434	OHZSGCXRIIZBJG-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCCc1ccc2c(c1)CC(C)(C)C2	2251639853	PCEPHWIPJRECNU-UHFFFAOYSA-N	228.379	4.710	0	10	BJAE	
Clc1ccc2ccc(CC3=CCCC3)nc2c1	2252702240	YOYSVVOEXXNRDM-UHFFFAOYSA-N	243.737	4.541	0	10	BJAE	
CCC1(C[C@@H](C[C@@H]2CCCCC23CC3)NC)CC1	2253809328	FSOJSPUYLLPAOD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C1CC2(CC(C)C2)C1	2254455763	VXVBUFGNJVCDFK-CQUJLFGMSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(CC2=CCCCC2)CC[C@H](CC)C1	2255104464	XEBSHQAZESSDMB-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CCc1cccc(F)c1N[C@H](C)CC1CCCC1	2256142525	SRPYPHQUIRIJTD-GFCCVEGCSA-N	249.373	4.769	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@H]1CC12CCCC2	2257282512	KIDIOLFUCLTUOJ-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@H](N)C12CCC(CC1)C2	2257283240	MNJWLCQOHGIYKZ-LQWAEYHHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@]23CCCC[C@H]2CC3)C1	2260680200	WFOTYXKCMWEYAI-YYIAUSFCSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@@H](C)CC(C)(C)C	2300677650	BTJYVMAWMAOZIP-ZFWWWQNUSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(CC2CCCCCC2)C1	2301141385	YLPASGKYJUSLMS-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(N)CC1CCCCCC1	2301144270	BWNSNLSNLRBQEW-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@H]1CCC(C)(C)C1	2302764474	YJGLYJXYFMXBNG-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@H]1CCC(C)(C)C1	2302765713	MNTKWFQZADZQCK-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@]1(CNCC(C)C)CCC(C)=C(C)C1	2303471752	ADZXUOAAWSVDQZ-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CCC2CCC2)CC1	2303585299	VGYNOIZIBBQOEX-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(O)CC[C@H]1CCC(C)(C)C1	2304358321	GWUACGMPZUUVCT-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](N)CC[C@@H]1CCC(C)(C)C1	2304438050	TZSVCIBKIJEATN-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](Nc1cccc(C(C)C)c1F)C1CC1	2307573167	AJXMLNIPTDZYEK-CYBMUJFWSA-N	235.346	4.550	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@](C)(F)C(C)(C)F	2307674567	PRSFPTICOSUIOM-BXUZGUMPSA-N	248.357	4.638	0	10	BJAE	
CCC[C@H](CC)CC1(N)C2CCCC1CCC2	2307817670	RHNWDUALYJSJCY-CUUNVARJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](CNC(C)C)C(C)(C)C	2307831232	IZATZARNQLSLNK-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCCCCC[C@@H]1O	2307909565	UXTMOJYZIAQIDV-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
CCCNC[C@@H](C[C@H](CC)CCC)C(C)(C)C	2307924790	FGWOFGWXAITVPD-HUUCEWRRSA-N	241.463	4.865	0	10	BJAE	
CCCC1([C@@H](CC[C@@]23CCC[C@@H]2C3)NCC)CC1	2310375021	MZXLAWSPFPSIJI-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313181387	QGFGDCQVRWVOHL-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CC1)N1CCCC12CCC(C)(C)CC2	2313640644	CCPRGRUPKMBURQ-AWEZNQCLSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CC1)[C@@]1(C)CC=CCC1	2313660581	KGCMJCKFWIHZKH-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@H](NCCC)c1ccccc1CCC	2316504267	UCIGKXNIEWEKPA-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CCNCCC=C(C)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316938859	IUPGGOZOKRSYKK-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CCC[C@H]1CN(C)CCCC1=CCCCC1	2318581217	UIDBISHYULAARV-RDJZCZTQSA-N	249.442	4.635	0	10	BJAE	
CCCC1CCN(CCCC2=CCCCC2)CC1	2318593089	PTYJPCJBELPSKH-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CC1=C(C)C[C@@H](CN(CC(C)C)C2CCC2)CC1	2320336940	JISUTVXCJYENMR-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H](CC1CC1)C1CC1	2320520071	DJUSWQBLBQRSIC-DJIMGWMZSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)c1cccc(C(C)C)c1	2320575495	AONZRBZQMARLFR-HOCLYGCPSA-N	244.378	4.819	0	10	BJAE	
CC1=C(C)[C@H](NCC[C@@H]2CCC(C)(C)C2)CCC1	2321607326	DRGVZFSNKKJPIH-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H](C)c2ccccc2)c1	21816855	HPJXWDHVHXQPHP-OAHLLOKOSA-N	239.362	4.519	0	10	BJAE	
CCCCCC[C@H](C)NCc1ccc(CC)cc1	34991449	RBFIPXHVYAWRIU-HNNXBMFYSA-N	247.426	4.698	0	10	BJAE	
CCCCCCN[C@@H]1CC[C@H]2CCCC[C@@H]2C1	34994810	ARZBROVXVVBURX-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@@H](CC(C)C)c1ccccc1	37042761	GZRSFOUFRNJXRX-UXLLHSPISA-N	247.426	4.798	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccc(Cl)c(F)c1	37070016	PJAZCZKYLCEDAX-SNVBAGLBSA-N	243.753	4.716	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H](c1ccccc1)C(C)C	70106294	POUATTBHZZNKML-DLBZAZTESA-N	245.410	4.552	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)C2CCCC2)cc1C	70305707	MDQDEPXOYNJNFJ-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
CCc1ccc(CC)c([C@H](CCC(C)C)NC)c1	70440502	IQJLZCHDQATKCO-KRWDZBQOSA-N	247.426	4.508	0	10	BJAE	
CCc1cc2cc(C(C)C)ccc2nc1Cl	71136953	JRZUXZGKBXXCJL-UHFFFAOYSA-N	233.742	4.574	0	10	BJAE	
CCCCC[C@H](N)C1CCC(CCC)CC1	83780592	SRLNBIMTMLSEQO-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](Oc2cccc(Cl)c2)C1	85150672	LZEPHTDYDCQOAT-YPMHNXCESA-N	238.758	4.688	0	10	BJAE	
CCCCCC/C(C)=C/CCNCC(C)C	86573010	PZQYIUQAFYUXIW-RVDMUPIBSA-N	225.420	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC2CCCCC2)CC1	86897501	AJWYCQBHGHHUQD-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1/C(C)=C/CCNC(C)C	93675488	UAUKORZXWYFLNY-GQXMGIGRSA-N	237.431	4.537	0	10	BJAE	
FCCCc1c(Cl)ccc(Cl)c1Cl	107503348	KYECVHQKNMKYGV-UHFFFAOYSA-N	241.520	4.549	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)C2CCCCC2)c1C	109786465	UUPUITVJHSJYHP-KRWDZBQOSA-N	246.394	4.534	0	10	BJAE	
CCCC[C@H](CC)CNc1cc(C)cc(C)c1	110158809	WVXLCBLHVAYMOW-HNNXBMFYSA-N	233.399	4.932	0	10	BJAE	
CCCCC[C@H](NCCC)c1ccccc1C	112405922	DREWQQBWCYCDRG-INIZCTEOSA-N	233.399	4.616	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCCCC2CC2)CC1	161488881	TXFSWFYGMZXQMM-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2CCCCC2)CC1	203537794	ZYSXVDDXDVCUKM-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC(NCCCC2CCCC2)CC1	225025653	SIICUOFNTOZQFA-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H]1CCCC1(C)C	226879384	LQGCJPWFNHEPCF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC[C@@H](C)[C@H]2C)c1	227003591	ADTNTLUDPWQUCA-BPLDGKMQSA-N	231.383	4.540	0	10	BJAE	
CCCCCC[C@@]1(N)CCC[C@@H](C(C)C)C1	231014302	ABWSDMKSWIDCCP-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CC1(c2c[nH]c3c(F)cc(F)cc23)CCCCC1	232823685	WGBWYZLOORFKFK-UHFFFAOYSA-N	249.304	4.668	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2cccc(Cl)c2)C1	235681639	JQXCUTHUMPCSPV-YPMHNXCESA-N	249.785	4.744	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@@H](C(C)C)CC[C@@H]1C	256167574	LQCPRQMDPSFTCI-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)[C@H]1CCCC[C@H]1CNC(C)(C)C	300461074	DAJHZBZOSDGYDD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1ccc(C(C)C)cc1	302427958	UXXBPOLILWRTBD-YOEHRIQHSA-N	248.410	4.916	0	10	BJAE	
Cc1ccc2ccn([C@H](C)CC(C)C)c2c1	304331713	AKZONONDGXZHAF-CYBMUJFWSA-N	215.340	4.557	0	10	BJAE	
CSc1sc2cc(C)ccc2c1Cl	306775194	LAZQONKNNJWPIG-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CSc1cc2cc(Cl)sc2cc1C	307024949	ZOODPZJFHIUALG-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Fc1cc(Cl)c2c(C(F)F)csc2c1	307406191	CFISIAVSEGLADH-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CC(C)C)C(C)(C)C	309991620	RCPDUNBGSPKILB-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCC1(CNC(C)C)CCCCCCC1	317908823	KHDJJBQXNQIQLP-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H](C1CCCCCCC1)[C@H](C)C(C)C	318983737	FOTHHFUBIOKQQB-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@]1(CNCC(C)C)CC[C@@H](C)C1	319220321	PSUWWBFJGHIWFT-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H](C)[C@@H](C)CC	319534794	BJFHCFXVCHPSHD-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H]1C[C@@H](C)Nc2ccccc21	320255383	WWYVWYGEDRIVHO-XFMPKHEZSA-N	231.383	4.657	0	10	BJAE	
CCCCCC(=O)CC/C=C\c1ccccc1	323854855	ZHLFKXYWEYIPKD-WQLSENKSSA-N	230.351	4.629	0	10	BJAE	
CCCCC[C@](C)(O)CC/C=C\c1ccccc1	324021468	NYOXHAPEUSWPKG-OLXGIWCBSA-N	246.394	4.811	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C2CCCCCC2)CC1	328377463	XZIWKKPQXUWTTO-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1cc(C)cs1	379208707	MOKQSISGDNAVSP-LBPRGKRZSA-N	238.396	4.846	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@H]1NCC1=CCCCC1	379577208	BQTHORFFSQWDKL-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(N[C@H]2C=CCCCCC2)cc1Cl	379876696	SLNMGUOPATUETI-ZDUSSCGKSA-N	249.785	4.949	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)C(C)(C)C	383776412	IRDIJMICUQGQPC-HNNXBMFYSA-N	233.399	4.507	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@H]1C[C@@H](C)c2ccccc21	384453296	JXNIHNXZMVHDQE-IOASZLSFSA-N	245.410	4.649	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@@H]2CCCC[C@H]2C)cc1	384563763	SRGBHQUOZOMHGG-XYPHTWIQSA-N	245.410	4.636	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)CCC1=CCCCC1	388209657	OCBVPDGKCXZSBI-GJZGRUSLSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)C1(C)CCCCCC1	394549565	ALTAZKDNNNDSQL-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC23CCC3)c(Cl)c1	394724110	DDROXOYRWMDROR-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
C[C@H]1CCCC[C@H]1CNc1ccccc1Cl	394859565	OJSLOHRPJGRULN-RYUDHWBXSA-N	237.774	4.578	0	10	BJAE	
Cc1sc2c(C)cccc2c1C(F)(F)F	396192741	FOEJLFOACBVLKC-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCc1cc2c(C(F)(F)F)csc2cc1C	396306855	QCOITABRLLATLT-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCc1ccc(N[C@H](CC)[C@@H]2CC2(C)C)cc1	397647601	SOSQDCOVHDLVBJ-JKSUJKDBSA-N	245.410	4.876	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2cccc(F)c2C)C1	398994659	JMWFHQAVUVZGAQ-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC=CCC1)c1cccs1	402227136	XDLYCHPFTSNJHM-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
CCCC(=O)OC(CC)(CC)C(C)(CC)CC	585664177	YKHFNCBKCZTZTB-UHFFFAOYSA-N	242.403	4.715	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(O)CC1CCCC1	689852648	CCEHJKQNLVYSAU-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@@H](C)C(C)(C)C	691106777	WJTSAEULFDCMDW-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(OC[C@@H]2CC3CCC2CC3)c1C	691658153	MFRWMJHBCXVQKJ-GPANFISMSA-N	244.378	4.509	0	10	BJAE	
C[C@H](CC(=O)[C@]12CCCC[C@H]1C2)C1CCCCC1	693200346	OWYJZMCOSBAMQL-KMFMINBZSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H](C)C(C)(C)C	695655613	MMZSAKUJGIUGIE-ZDUSSCGKSA-N	247.426	4.966	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCC[C@@H](C)C1	696593358	LUKAQUPBCKPMJJ-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CCC)NCC(C)(C)C(C)(F)F	697132745	AERPYSVDKZGHRB-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC(C)=CCC[C@H](N)c1csc2ccccc12	697759054	PHZHQSZZKHOKNN-AWEZNQCLSA-N	245.391	4.648	0	10	BJAE	
CC(C)=CCC[C@@H]1CCCC[C@H]1CNC(C)C	697774364	NDWYOFXVKGJNSC-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCc1cccc([C@@H](NC)[C@H](C)CC(C)C)c1	708299633	ZXOGISKAOKIOJG-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CCC1([C@@H](N)C[C@H](C)CC(C)(C)C)CCCC1	709123778	DZZQFIUMFMRUFT-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)C[C@@H](C)CC(C)(C)C)C1	709184862	HEVCDIPLUFGGHG-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1cccc(C2CC2)c1	709668389	FYOFOJCOBKUZPW-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
C[C@H]1CCc2cc(C[C@H](C)C(C)(C)C)ccc2N1	711156554	HVZLTHOPAOPTLH-STQMWFEESA-N	245.410	4.658	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(O)CCC(C)(C)C	713131304	PWMKTSMGDPFHKP-HNNXBMFYSA-N	228.420	4.636	0	10	BJAE	
CCC(C)(C)CC1(CNC(C)(C)C)CC=CC1	713162229	WPXSUXLYZYRXSS-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cc2ccccc2s1	713199927	NNTOKWHDUBTIPR-GFCCVEGCSA-N	248.391	4.761	0	10	BJAE	
C=C/C=C\CCc1ccc2ccccc2c1	713753753	SDDDOYWSLAMLHB-ARJAWSKDSA-N	208.304	4.515	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)CCC(C)(F)F	714007892	GYDGMQHQPJFNQB-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CCC[C@H](C)[C@@H](CCC(C)=C(C)C)NCC	718575337	YXGBERGLORJVAF-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)CC(C1CC1)C1CC1	718772963	LFNFJRKWCIZZGH-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
c1ccc(COc2ccc(C3CCC3)cc2)cc1	722393598	AUSUDTCOOALXNR-UHFFFAOYSA-N	238.330	4.533	0	10	BJAE	
Cc1ccc(C)c(-c2ccnc3ccccc23)c1	1239851789	SHZPUSUYZNIXHG-UHFFFAOYSA-N	233.314	4.519	0	10	BJAE	
CCC1(CC)CCC(N[C@@H](C)CC(C)C)CC1	1461366944	DSZZYTFOXCLHIO-AWEZNQCLSA-N	239.447	4.760	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@@H](C)[C@@H](C)C1	1560842326	VBYXKGIKDUWOKC-FXUDXRNXSA-N	237.431	4.536	0	10	BJAE	
Cc1ccc(CS[C@H](C)C(C)C)cc1C	1643739058	CCWLSWJYROBKLQ-CYBMUJFWSA-N	222.397	4.581	0	10	BJAE	
C[C@H]1CCC[C@@H](CCN2C3CCCC2CCC3)C1	1652504206	BFLMYFQHDGWPPR-JUVOFCAFSA-N	249.442	4.610	0	10	BJAE	
C1=C(CN2CCCC3(CCCCC3)CC2)CCC1	1653301902	HEVBVYWSVZYKFN-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
CCCNCCC(C)(C)CCC(CC)CC	1900712536	LAJAFBOEEIMXEE-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)[C@H](C)C(C)C	1901525498	FJIULJUYNCCBBB-ILXRZTDVSA-N	227.436	4.616	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)CCC1=CCCCC1	1901687867	CGHLFBRHXRWBEN-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCC(CC)CC[C@H](O)CCCCC1CC1	1902163436	CDBCNHIYGZPJIY-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)c1cccc(CCC2=CCCC2)c1	1902962589	XWLYPXSTZVPZNO-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CCC[C@H]1C(C)C	1907601382	VDIWSXGUGLGEEQ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C[C@@H]1C[C@H]1CC	1909598287	RGUPJYZOHDRSFQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CC1(C(C)(C)C)CCC1	1909633322	VRJQABPOSQDYEE-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(CC)s1	1911799283	MELCKBKVXSBJGT-LLVKDONJSA-N	208.370	4.770	0	10	BJAE	
CCCCC[C@H]1CCCCCCCC[C@@H]1N	1913403697	KPQOCABKVQZAQT-GJZGRUSLSA-N	225.420	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CNCC)C=CCC1	1916345102	SDJPJKVCMPWYLO-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H]1CCC2(CCCC2)C1	1916406344	NZVTZGYXQIVGRQ-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@](C)(O)CCCC(C)(C)C)c(C)c1	1919914103	IYUROCZRMWOACH-QGZVFWFLSA-N	248.410	4.727	0	10	BJAE	
CCCCCC[C@@](C)(O)c1csc(Cl)c1	1920016002	CONVPBPEXWNPDU-GFCCVEGCSA-N	246.803	4.579	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)c1ccc(C(C)C)cc1	1920025925	DNQDJLPYPZOXDM-QGZVFWFLSA-N	246.394	4.764	0	10	BJAE	
CCCCCC[C@](C)(N)c1cccc(CCC)c1	1920185967	NDFQVNUHELMBLD-KRWDZBQOSA-N	247.426	4.783	0	10	BJAE	
Cc1ccc([C@](C)(N)C[C@@H](C)C(C)(C)C)c(C)c1	1920489474	LYKLDCPJEQHVNL-RHSMWYFYSA-N	247.426	4.550	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@H]1CCCC12CCC2	1921603815	OJAVVPQVRPBPJS-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CNC[C@]1(C2CCCCCC2)CCCC12CCC2	1921631818	BPBCLTIENARTET-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@H](C)C2CCCCC2)c1	1924101177	PYNSBUOFHTZBDZ-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)[C@@H](C)C2CCCCC2)c1	1924136637	UJBAYVULWJHAIS-YOEHRIQHSA-N	245.410	4.520	0	10	BJAE	
CCCCCCC(=O)CC1CCC=CCC1	1936554371	RWDOXTKVYOWRQS-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCCCC(=O)CC[C@H](C)C1CCCCC1	1939113322	UIWCMOHKWSVQIZ-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC(C)CCC(=O)[C@H]1CCCC(C)(C)CC1	1939897742	CJCTUIQWTGHIHQ-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCCNCCC[C@H]1CC1(C)C	1940850745	LSBQJOJAGNYXAM-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1C[C@@H](C)CC(C)(C)C1	1941357319	HSRBFLLIZXCBKP-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CN[C@H]([C@@H](C)CCC(C)C)C(C)(C)C(C)(C)C	1942652119	DOUDWYDSOFXZTP-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CCC[C@H]1C(C)C	1947463700	FEXWKYCDMGRYLG-JYJNAYRXSA-N	239.447	4.616	0	10	BJAE	
CCCCC(=O)CCCC=Cc1ccccc1	1948428985	JJLZACSUSRCQMV-UHFFFAOYSA-N	230.351	4.629	0	10	BJAE	
CC(C)(CC[C@]1(N)CCCCC1(C)C)C1CC1	1949034759	CNLLRAKGJNFEIE-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](N)(CCCC1(C)CC1)[C@@H]1CC1(C)C	1949053838	HZYXYLCTPLFEIB-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCCC(F)(F)CC1	1950013069	WWRMJFSVIMHFHF-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
Cc1ccc(C)n1C[C@@H]1CCCC(C)(C)CC1	1950923240	SFHJJHHOESCXTL-OAHLLOKOSA-N	233.399	4.711	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCC[C@H](C3CC3)C2)C1	1963183044	PRJREPTWNCCATL-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC(N[C@H]2CCCCC23CCC3)C[C@H](C)C1	1967790576	CRWSQTOWPVSYFZ-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(OCC2CCC3(CC2)CC3)cc1C	1968307544	LOKSWNLVCZKBFZ-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CC1(C)CC(N[C@H]2CCCC23CCC3)CC1(C)C	1970018135	OBGOIVRAFUBOFT-AWEZNQCLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCCCN1C[C@H](C)CC(C)(C)C	1970607272	UJCWCGMGTQJYTF-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCC2(CCC2)C1	1970830310	SXSUHZNPJGRHDZ-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCC[C@@H](C)C[C@@](N)(CC)C1CCCCC1	1975998660	PTTLNHHLSGGDIE-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC=CCCCNc1ccccc1C(C)C	1984614607	OFWZGWBLSOBDLC-UHFFFAOYSA-N	217.356	4.578	0	10	BJAE	
CCCC[C@H](N)CCCC(C(C)C)C(C)C	1988265270	VRJKWJUEHXOGQH-AWEZNQCLSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1cc(C)c(C)s1	1989984718	QKYYSWSVBGPLHA-JSGCOSHPSA-N	239.428	4.581	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCC)[C@H](C)CC	1995264099	UMAMROYWRZRHRY-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H]1CCCCN1CC1(C)CCCCC1	1995772209	QWZYFKRHRQBBPR-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCC/C=C/CN[C@@H]1CCC[C@@H](C(C)C)CC1	1995875622	UZYDZYIXTLQWPH-YCZSJOHXSA-N	237.431	4.537	0	10	BJAE	
CC1([C@](C)(O)C2CCCCCC2)CCCCC1	1995991589	QPMDKNNUOYBTKA-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](CC(=O)CC[C@@H](C)C(F)F)C(C)(C)C	1996093315	DHXUJQOGAHOANA-GHMZBOCLSA-N	248.357	4.699	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1CCCC(F)(F)C1	1996601884	AEIXUGGQJMWBPB-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)C2CC(C)(C)C2)c1	1998659101	XJWPAIPOWHUHQC-ZDUSSCGKSA-N	231.383	4.540	0	10	BJAE	
CC1(C)CCC[C@H](C2(O)CCCCCCC2)C1	2000034458	TZAKSRWTQCDNRW-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)[C@@H]1CCCC(C)(C)C1	2000034915	VOYFHQJCLFQSPD-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1CCC[C@@H](C)C1	2000210857	DYDWWXDJZWREEF-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@](C)(CCC=C(C)C)CNCC(C)C	2000516737	YIVOBTSJLLMOMA-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CCCC1CCC([C@@](C)(N)CC(C)(C)C)CC1	2002923697	CAJZWOGZQHXESN-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@H]1CCC(C)(C)C	2003115503	BLWWJCBVSCINHF-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C(=O)C[C@H]1CCC2(CC2)C1)C(C)C	2003273119	OLBUZWXOZYVSIE-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C(C)(C)C1CCCC1	2004234612	RUWUPDKDQWWXDM-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(CCC2(C)CC2)C1	2009551571	ILEMOBHDLNJKHS-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H](CC)CCCC	2009629935	VKXXWRSNANACMT-FRGIFYTLSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C[C@@]12CCC[C@H]1C2	2010969574	ZAHTZANKPIILJW-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCCCC12CC2)C(C)(C)C	2011273819	FLIWAUFDMQBPHP-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCC[C@@H](N)C1CCCCCCC1	2011567993	HIVPOJIIQFHBEH-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCCC(=O)C1C[C@@H]2CCC[C@H]2C1	2011989669	LZRQIVWVGQVAFJ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2012010038	WFMCJVVDYSMORJ-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(C(=O)CC23CCC(CC2)CC3)s1	2012805742	JEHYYCJVKGBEAA-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CC(C)C(CCC(=O)[C@@H]1CC[C@H](C)C1)C(C)C	2015390319	KDOVLCDEOMOAFN-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CCC1CCC(C[C@H](O)[C@H](CC)C(C)C)CC1	2017648216	KUVGXGJJYIQDKA-FJBKBRRZSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)CC2CCCC2)CC1	2017654560	FLDUXQYPQQDMEP-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](CO)C(C)(C)C)CC1	2017714021	CUWZWZUZCSUXTF-KKUMJFAQSA-N	240.431	4.638	0	10	BJAE	
CCCC1CCC(C[C@]2(C)CC[C@H](N)C2)CC1	2017732436	BAYNYEFUFUYUPQ-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCCC(C)(C)C2)CC1	2018925876	TZNLKLSDHHBVBL-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CC[C@@]1(C)CNC(C)(C)C1)CC(C)(C)C	2022140938	JCHCSPDIGCTLAO-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC1CCCCC1)[C@H]1CC[C@H](N)CC1	2023548845	BVUNJEIBLDPGRQ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1cc(C)c(C)o1	2026074994	QWPNLOSZPXPLSV-FZMZJTMJSA-N	237.387	4.503	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NCCC)C1CCC1	2026075356	VHEUNYSNXBNQRQ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccccc1C[C@@](C)(O)CC(C)(C)C	2027460302	IWFMUXSSNYFSLS-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)[C@@H]1CCCC2(CC2)C1	2027824155	ZBWSKDRCZYFBQP-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)c1cccc(C2CC2)c1	2028551272	DMVLURSVQZNVFM-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CNC[C@]1(CC2CCC=CCC2)CCCC[C@@H]1C	2028869183	FLRUYTCBLDHLNR-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)CC1CCC=CCC1	2028896279	AWIWUOIJUUQAJS-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
C[C@H](Nc1ccc(C2(C)CC2)cc1)c1ccoc1	2032242703	LJTBJRSTLLNKHW-LBPRGKRZSA-N	241.334	4.504	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@H]1CC2CCC1CC2	2035408526	KVDGSCIBYDKSRJ-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C[C@@H]2CCC[C@H](C)C2)c1	2037047949	ICIAAXPVNYJAFF-MJEQTWJJSA-N	245.410	4.520	0	10	BJAE	
CCC1CCC([C@@H]2CNC3(CCCCC3)C2)CC1	2037721643	RJLMXCVPYYKWJA-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc([C@@H]2CCC(C)(C)C(=O)C2)c1	2037873866	BIWJCRFMLLGWSM-OAHLLOKOSA-N	244.378	4.673	0	10	BJAE	
CN[C@@H](CC1=CCCCCC1)CC1CCCCC1	2038168778	QXXAKQZBQQKQSB-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCc1ccccc1NC[C@H]1CC12CCCC2	2039092844	SJZXHPHPMZWRHE-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@@H]2C=CCCC2)CC1	2039386058	QYQJIMOENCNGJO-NVXWUHKLSA-N	249.442	4.668	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@H]1CC[C@@H](C)C1	2040165407	HVUWTZSXHZGPBP-JKIFEVAISA-N	245.410	4.636	0	10	BJAE	
CC1CCC([C@](C)(N)CCC2=CCCCC2)CC1	2040649243	ZYVPMXNLCJJCNV-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@]2(C)CC=CCC2)cc1C	2042098870	MSBKVMOYNPVTKW-QGZVFWFLSA-N	242.362	4.541	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)C(C)(C)C(C)(C)C3	2042331336	BJAWZIFRCGIDKD-UHFFFAOYSA-N	241.378	4.645	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@@H]1C(C)=CCC[C@@H]1C	2045805742	MKQUNANTVMQMAJ-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1CC12CCCC2	2047026999	OKDBINGFTOATBF-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
Cc1ccc2c(ccn2CC2(F)CCCCC2)c1	2047243633	PQUUVMFZEDEPKC-UHFFFAOYSA-N	245.341	4.622	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047425769	YNLYNFKGBXJHNP-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
O=C(CC[C@H]1[C@H]2CCCC[C@H]21)CC1CCCCC1	2048472354	ZQKQUEZYMYTLGD-BJWYYQGGSA-N	248.410	4.742	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@H]1CC2CCC1CC2	2049704918	QGBMLFDZGWHYEU-QDIHITRGSA-N	248.410	4.742	0	10	BJAE	
CCCNCC1(C[C@@H]2CCC3(CC3)C2)CCCC1	2049858031	ODXJHBNQXSUTQD-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1cc(C)cc(F)c1	2051406138	UZCMHROUJONXCB-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
C[C@H](NC1CC2(CCCCCC2)C1)C1(C)CCC1	2052347885	GPAMSIFDXHBJLS-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CCCCCC1CCC(C(=O)C2CC=CC2)CC1	2053691584	LDSAKGZRSAYINJ-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
C=CC=CCC[C@H]1C[C@@H](NCCC)C[C@H](CC)C1	2055030852	KNABQTWHAAVLBM-ZACQAIPSSA-N	249.442	4.703	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@@H]2C=CCCC2(C)C)C1	2055534740	CRHFLWONIDPHRT-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H](C)C1CCCC1	2056874739	ZUXXLDAEGOCTIJ-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc(NC[C@@H](F)C2CCCC2)cc1	2058030419	OKLVDWLYZWIWJH-MRXNPFEDSA-N	249.373	4.579	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C)CC1)C(C)(C)C1CC1	2060920632	FYMZXNOUTFIBKI-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)C(C)(C)C1CCC1	2060923812	ACKQXOGXAGJZRM-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C(C)C)CC1)C1(C)CC1	2061087588	GWCYYYACJDTYIU-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(CC)c([C@@H](N)C(C)(CC)CC)c1	2061869682	NVYZHDUKICUJJK-MRXNPFEDSA-N	247.426	4.638	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H](CC)C1)c1occc1C	2063676972	DNFVQLCHKVMANR-KFWWJZLASA-N	249.398	4.598	0	10	BJAE	
C[C@H]1CC([C@H]2CC(=O)CC3(CCC3)C2)C[C@H](C)C1	2063720406	IBQTZLQJAGOVCI-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@H]1CC(=O)CC(C)(C)C1	2063727387	VVAURRJJPXVRTH-ZDUSSCGKSA-N	244.378	4.673	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)CC12CCC(CC1)C2	2065340845	ZUPOUUMBKIVHMP-MYBQVCMBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCC(C)(C)C1=CCCC1)[C@H]1CCC1(C)C	2068280412	KYAUHPFBXNPMQL-UKRRQHHQSA-N	249.442	4.537	0	10	BJAE	
Cc1cc([C@H](N)CC2CCC(C)(C)CC2)oc1C	2068909465	JHUKXLOLQKRQJF-CQSZACIVSA-N	249.398	4.503	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)c1cc(C)c(C)o1	2068918065	YTUXKKSDFFCCDB-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
CCC1(CN2CCCC23CCCCCC3)CCC1	2069326683	FEKJTSIWKPECBW-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCCC1(C[C@H](O)c2cc(C)ccc2C)CCC1	2069338881	CFHAXRJOSHSHLI-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C[C@@]23CCC[C@@H]2C3)C1	2070927792	WAJJHIMOYNBVKR-FSDCSDTHSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(CC(=O)C[C@]23CCC[C@H]2C3)CCC1	2071915863	SSEZMCLKNILAHP-XJKSGUPXSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)CC2=CCCCC2)CC1	2072805005	YGQYOSANNBYLHS-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
CCCOc1ccccc1N[C@H](C)C(C)(C)CC	2072833947	XSBIPJDPMHIAGF-CYBMUJFWSA-N	249.398	4.712	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2CC3CC2C3)CC1	2072876564	BMHXBGAKOHEATB-BKAAIYKLSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C(=O)C[C@]12CCCC[C@H]1C2)C1CCCC1	2074094643	MSOFJLFQERCSOC-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
CCCC1(CN(C)[C@@H]2CCCCC23CCC3)CC1	2074590311	JNELWCGEGPSEGX-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1	2074626241	IWHIWBZKOKBPGF-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@@H]1CCCC12CCC2	2074797083	MWFOKNQNPBREIU-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
c1ccc(C2CCC2)c(NC[C@]23CCC[C@@H]2C3)c1	2077263137	LLCYZAITSAYQHK-RHSMWYFYSA-N	241.378	4.556	0	10	BJAE	
C(CCN[C@H]1C[C@@H]1C1CCCCC1)CCC1CC1	2079539932	ZHMWJURUETXNTI-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@@H]2C2CCCC2)CCCCC1	2079841539	JLFCKSNNDRWUMW-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1C)C(CC)CC	2082929526	GQCVCXLAWFPTDT-KRWDZBQOSA-N	247.426	4.699	0	10	BJAE	
CC1(C)CCC[C@@H](CC2(N)CCC3(CC2)CC3)C1	2082979369	NCNGVIZVXQFVMC-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](CN)CCC1CC2(C1)CC1(CCC1)C2	2083606398	SRRARMBCKAYCPQ-AWEZNQCLSA-N	249.442	4.502	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CCCC(F)F	2212197613	GSUOVDPROLBNRQ-LLVKDONJSA-N	234.330	4.597	0	10	BJAE	
CC1CCC(NCCCCCCC2CC2)CC1	2213582303	GNPFSNWXAARAIR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@H]1C[C@H](O)C1(C)CCCCCCC1	2214980934	LHEVBLXYUSAHEP-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@H](O)C1(C)CCCCCCC1	2214980936	LHEVBLXYUSAHEP-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCNC[C@]1(CCCC(C)C)CC=C(C)CC1	2215835436	MDJRJJDCXLBNIP-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](CCCCC(F)F)[C@@H](C)CCC	2216455736	ADVZYEOLAXZWSB-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
C[C@H]1C[C@H](CCCCCCCC2CC2)[C@H](O)C1	2216858224	BTLKBLIBTLJNKL-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@@H](C)N1CCCCCCCC1CC1	2216877110	IHLGMFFYGBIPFM-GASCZTMLSA-N	237.431	4.610	0	10	BJAE	
CC[C@H](C)C[C@@H](CN[C@@H](C)CC)C1CCCC1	2217127280	HCKCEOBEBQLXQR-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC=CC1	2218322048	ITYUKPAAUOBCCH-FICVDOATSA-N	246.394	4.518	0	10	BJAE	
N[C@@H](CCCCC1CC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2220038637	NRMHRBUFIDQIAQ-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@H]1CC[C@@H]1C	2220519537	IPZHMDICJKQAOC-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)CC2(C)CC3(CCC3)C2)CCCC1	2221041962	VQFFBQHMBPKDAE-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2CC3(C2)CC3(C)C)C1	2221083406	IZZBSSIWXVKLKB-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1CCCCC1)[C@]1(C)CC=C(C)CC1	2221624161	MSVFAXYFLUGIES-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C2=CCCCCC2)C1	2222255848	HGFKSIJZHQOLLB-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CNCC1(CCCCCCCC2CC2)CC=CC1	2223105256	IJDXCYWNDFUHCT-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C(CCCNCC1CC2(CC2)C1)CCCC1CC1	2223174062	UUVHQHYEKNCNFS-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1cc(F)c(CC2=CCCCC2)cc1Cl	2243249482	MYVLMYUXJAIPBX-UHFFFAOYSA-N	238.733	4.830	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(O)CCC(C)(C)C2)C1	2246695165	SURNBHMXYLURPX-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCCC[C@H]2C[C@H]2C)CC1	2247158868	JMTMPTJQSFCACO-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1CCC1(C)C	2247393939	JZRZDQHIPPGCDM-ZDUSSCGKSA-N	231.383	4.658	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1CCC(CC)CC1	2250351917	HXBWXQSNANZMBN-NRXISQOPSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@]12CCC[C@H]1CC2	2251198163	VEDFPQMGEAYWMN-HRCADAONSA-N	237.431	4.502	0	10	BJAE	
CCC(CC)C[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251718982	NILUDCFFLLYULF-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)C[C@H]3CC[C@H](C3)C2)C1	2253997857	SDIPJJUFXWGRAL-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@]1(CC2CC3(CCCC3)C2)CCCCCN1	2254082651	SAHGLDGBLCBBQD-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CC1CC2(C1)CC(NCC1(C)CCCCCC1)C2	2254160354	ZZSCJOOWWISLRJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC[C@H]1CCCC12CC2)C1CCC(N)CC1	2255236937	XKOWNTJIUFRRPP-YHNBSYBMSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC[C@@H]1CCCC12CC2	2255252507	AUVKRFYIDORJHK-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CCC1CCC([C@H](N)[C@@]23CCCC[C@H]2CC3)CC1	2260528988	XSKQGYJOWBNGQP-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
c1ccc2cc(N[C@]34CCC[C@@H]3CC4)ccc2c1	2260529641	CEYBERWKOTUIBE-WBVHZDCISA-N	237.346	4.584	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@]12CCCC[C@H]1CC2	2260615505	ZETJXTPESPYAEP-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(OC[C@@]23CCCC[C@@H]2CC3)cc1	2260646735	MXZIVKKHNHMBJF-WBVHZDCISA-N	244.378	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C[C@]23CCCC[C@@H]2CC3)C1	2260677380	FIUXYNNKBDIXKI-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CCC(=O)c2ccccc2C(C)C)C1	2261508594	KQCBPAUSCULTPX-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCCCC12CC2	2300679214	QYADPYQQXSSPDP-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C)[C@@H]1CCC(CC)CC	2300682321	XVZOVWCIBLAVLL-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@H]1CCCCC12CC2	2300689055	UEXVLVWHLWAWIN-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC(C)=CC[C@H](O)C1CCC(C(C)C)CC1	2300869495	JIJGXYQIUKMTJU-GPANFISMSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CCC[C@@H](C)C1	2300873576	ASEYHLPPLCPHKQ-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CCCCC[C@@H]1C(C)C	2300902154	QWKLNQLFJGOXQF-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC1CCCCCC1	2301147853	NSOPYFXXCPLLTC-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)C[C@@H]1CCC(C)(C)C1	2302753220	LSPFESPDNPDTGV-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)Cn1ccc2ccc(C)cc21	2307805652	GSBUWVLPLCYYFR-AWEZNQCLSA-N	229.367	4.776	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@H](C(C)(C)C)CCN1	2307894432	MQXFSJHAJIDVER-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309180692	HZBQYDFVJPRMJH-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C[C@H]1CCC[C@@H]2C[C@H]12	2309961273	UBONEUQNBLAUTL-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@]12CC[C@](N)(CCCCCC3CC3)[C@@H]1C2	2310126701	NFCDOVPCQIOBMY-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CC[C@@H]2C2CCC2)CC1	2310981585	NRPKNWNSBVCJLM-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C[C@@]12CCCC[C@@H]1C2	2311147865	MSSCLZMODIVCDV-VVLHAWIVSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCC1	2311607843	IWCNYNLYOIWEMP-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313181465	RSIWQFHZFMJBOF-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC1CCC1)c1ccco1	2313700165	YGFBFQQTCPGPFM-UKRRQHHQSA-N	249.398	4.537	0	10	BJAE	
Cc1ccc(CNc2cc(C(C)C)ccc2C)o1	2315871399	QRHPRLZXYOKEEY-UHFFFAOYSA-N	243.350	4.632	0	10	BJAE	
CCc1ccccc1[C@](C)(N)CCC(CC)CC	2316271492	QTOKIJWETGSOLP-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCc1nc(C)cn1CC=C(C)CCCC(C)C	2316521342	XUMWVXLBHYEMMC-UHFFFAOYSA-N	248.414	4.527	0	10	BJAE	
N[C@H](CCCC1CC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316886911	ZBHATKUFLWIENI-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@]1(CC2CCCCCC2)C=CCC1	2316998409	JPOWOAGCAKTBIP-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317119974	AWTWOFFIVRMTFT-PNBKFKSVSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)n1ccnc1C1CCCCC1	2317829063	WRHYXOAFGCEZNR-KBPBESRZSA-N	248.414	4.784	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@]12CCCC[C@H]1C2	2318573262	PODJUDPPEKCNGT-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(OCCCC2=CCCCC2)cc1C	2318597304	JJGBIKASGFXRIT-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C1=CCCCC1	2318885314	LSUKKQNINWDUPM-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C[C@H]1CCC=CCCC1	2318929468	SCSXFLTUGRKNJT-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
C=CC=CCC[C@H](CCC[C@@H]1C[C@H]1C)NCCC	2318943092	CTIGSUHTVYCWRG-BRWVUGGUSA-N	249.442	4.703	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)C2(C)CC3(CCC3)C2)C1	2319113083	KKXRDJTXOASUKR-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@](N)(CC2CC3(CCCC3)C2)CC1	2320397227	HJEKDYDFNWXTCZ-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@]2(C)CCCC[C@@H]2C)CC1	2320417954	ZUNYXIMLNRSQDQ-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)[C@@H]2CC23CCCC3)C1	2321605166	JKLJLTQQBQPSGF-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1([C@@H]2CCC[C@@H](C)C2)CCC=CCCC1	2326700855	BIWWLDBEJIYYDA-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1cc(C)ccc1C(C)C	2327789543	KROZBHSTLGZXSC-DZGCQCFKSA-N	244.378	4.737	0	10	BJAE	
CCCC(CCC)Nc1ccc(F)c(Cl)c1	20429739	NGTLRAMRGCAKOP-UHFFFAOYSA-N	243.753	4.860	0	10	BJAE	
CCC1CCC(Nc2cccc(C)c2C)CC1	21805644	PUMFTVAIAGMFTN-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
CCCCCNc1ccc([C@@H](C)CC)cc1	35023390	LSMKPZNFOQNHRC-ZDUSSCGKSA-N	219.372	4.802	0	10	BJAE	
CN[C@@H](CC1CCCCC1)c1ccc(C)cc1C	35468119	HOSMQNVUGIISEV-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC(C)CCCN[C@H](C)c1cc2ccccc2o1	38093457	GWLKHAVVQOVNBN-CYBMUJFWSA-N	245.366	4.520	0	10	BJAE	
Cc1ccc(-c2ccc(C(C)(C)C)cc2)cc1N	41282557	RJWRIWARFNHRMP-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1cccs1	43456177	KSUBFCRWLKYCFN-LLVKDONJSA-N	224.369	4.537	0	10	BJAE	
CCCN[C@@H](CC)CC[C@H]1CCCC[C@@H]1CC	83825578	FEBWWHBEKRJTHL-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(CNc2cccc(Cl)c2)CC1	84330822	SXNGAFRJDUYXBT-UHFFFAOYSA-N	237.774	4.578	0	10	BJAE	
CCCCC[C@@H](NC)C1CCCCCCC1	87690470	NTQUPOBOBAGUSE-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CCCCC1(C)C	94274853	PJXATCXMQCBZRL-LSDHHAIUSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H](C)CC[C@H](NCC)c1ccccc1	109656060	FLXDFYZVSSMJBM-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1ccc(OC(C)C)cc1C	109912259	GIDFABVEDXEHGJ-JSGCOSHPSA-N	249.398	4.629	0	10	BJAE	
CCC[C@@H](CC)N[C@H]1CCCCc2ccccc21	109944873	VUXZNHMMCQTZRX-WBVHZDCISA-N	245.410	4.622	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H](CC)CCCC	124785511	POCUILQTXAIWQT-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CC(C)[C@H](C)N[C@@H](C)c1cc2ccccc2s1	126421256	LJJXCXATEJUXJE-RYUDHWBXSA-N	247.407	4.596	0	10	BJAE	
CCCc1ccc(N[C@H]2CCC(C)(C)C2)cc1	129241238	YTNHEMZHYNDEBH-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
CCCN[C@H](CCCCC(C)C)C1CCCC1	133186258	BJEICZMHQYXSNI-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)c1cccc([C@@H](C)CC)c1N	139145790	MZARGHXUAIGPHF-NSHDSACASA-N	219.372	4.686	0	10	BJAE	
Clc1ccc(Cl)c(-c2cccs2)c1	141069501	SZMZVTRDZWVHDE-UHFFFAOYSA-N	229.131	4.722	0	10	BJAE	
CCCC1([C@H](O)c2cccc(C(C)C)c2)CCC1	145973198	XCJZRIFDGBNZJU-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCCC1CCC(CN)(CC(CC)CC)CC1	149839342	QSSJWFYZJSXGDK-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@H]1CNCC(C)C	155485174	XFBHPDGFDBEBPQ-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H]1CCC(C)(C)C[C@@H]1C	155957740	RTWHVAJIFNTMMJ-GUTXKFCHSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCC[C@@H](O)c1ccccc1C(C)(C)C	157389280	OAQZYCQTYWZPPT-MRXNPFEDSA-N	248.410	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(C)cc2)C1	159897892	VDYLYNNSWAINKB-BFYDXBDKSA-N	245.410	4.614	0	10	BJAE	
Cc1cccc([C@@H](N)CC2CCCCCC2)c1C	163532440	NDKPJEPEHGZLMJ-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
CCN[C@H](CCCC(C)C)C1CCC(C)CC1	165832787	CLBQTSIFUBADRY-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccc(C(C)(C)C)cc1	167621773	NJSZPIMWUBIWFT-INIZCTEOSA-N	248.410	4.844	0	10	BJAE	
FC1(Cc2ccc(Cl)cc2)CCCCC1	220500479	ZKWJWHPZGCBEII-UHFFFAOYSA-N	226.722	4.555	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CCCCC1(C)C	225986447	NLYFRJUURGVOLA-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1CC[C@@H](C)C[C@@H]1C	226179647	PXPIVYUTQXYQIR-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](CC)CC2CC2)CC1	226517998	OHTITQHZKSEITL-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@@H]1CCCCC1(C)C	226869771	YKHQCNRZXUBUTQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C1(C)CCCCC1	233142440	DMKRBJHGIOBABW-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNC2CCCCCCC2)C1	235700313	SKVLBUNXMOPBMP-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2ccc(C)c(F)c2)C1	235715875	UUWKRHLWVQFRKS-BXUZGUMPSA-N	247.357	4.538	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@H]2CCCC[C@H]2CC)C1	251659707	NXRCEIXWISUYOZ-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCC(C)(C)C[C@@H]1C	252033176	ZQNDYRHOSAAXET-AJNGGQMLSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H]1CCC[C@H]1C	300281328	BZDQCMYDZXOTQX-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cccc(C)c2Cl)C1	300911473	RWMXQMDKSMPTIW-NWDGAFQWSA-N	237.774	4.639	0	10	BJAE	
Cc1cccc(N[C@H]2CCC(C)(C)C2)c1Cl	300953620	ZYTNNEIZDLVIAS-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)c1ccc(C)c(C)c1	302257344	BDMSDJGGDWRTNK-SUMWQHHRSA-N	247.426	4.636	0	10	BJAE	
CCc1cc(N[C@H]2CC(C)(C)C[C@@H]2C)ccc1C	302360823	YCCTUSYNIQKLPP-BBRMVZONSA-N	245.410	4.794	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)c1ccc(C(C)C)cc1	308079175	PHGUGKJXMUOXNG-WMLDXEAASA-N	247.426	4.882	0	10	BJAE	
CCCC[C@@](CC)(CN)CCC1CCCCC1	310059921	KIFOFSOYJRXXJM-MRXNPFEDSA-N	239.447	4.892	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](O)([C@H](C)CC(C)C)C1	310177258	RSQAWVAINZJLQU-PMPSAXMXSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@H](C)C1)c1ccccc1	311060115	YXCCRUZMKYSZDY-YQQAZPJKSA-N	245.410	4.554	0	10	BJAE	
CCCC1CCC(CNC)(C[C@H](C)CC)CC1	317577866	POQIQFFMYYXPMO-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CC[C@](C)(CNC(C)C)C[C@@H](C)c1ccccc1	317679363	XKXJTMBALWRZCJ-WBVHZDCISA-N	247.426	4.595	0	10	BJAE	
CC[C@H]1CC[C@@](CCC2=CCCCC2)(CNC)C1	318065802	VEVDZXDUAXEKGL-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1ccc2sccc2c1	319967113	HYCMAAYDRADQGC-GHMZBOCLSA-N	246.375	4.766	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1ccccc1C(C)(C)C	320159731	KQWAKAYQZAUIBV-STQMWFEESA-N	246.394	4.849	0	10	BJAE	
CC(C)c1ccc(NC[C@]2(C)CCCS2)cc1	327618555	MESNWVZDLCYYJS-HNNXBMFYSA-N	249.423	4.508	0	10	BJAE	
CC1CCC(C[C@H](O)C[C@@H](C)C(C)(C)C)CC1	380158478	KKOQMMUDSCBAKB-HXSCFSKGSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)CC1(C)CCCC1	381427619	FLOFSOGYSLUNRL-HZPDHXFCSA-N	246.394	4.512	0	10	BJAE	
Cl/C=C/CNc1ccc(-c2ccsc2)cc1	381503303	QPIGYYCGXWADIL-LREOWRDNSA-N	249.766	4.580	0	10	BJAE	
Cc1ccc([C@@H](O)CCCCCC(C)C)cc1	383130045	KPGRMXVPNHHMAF-INIZCTEOSA-N	234.383	4.635	0	10	BJAE	
CCc1cccc(OCCCCCC(C)C)c1	383287579	QHINIUYNQSFEHG-UHFFFAOYSA-N	234.383	4.844	0	10	BJAE	
CCCC1([C@@H](CC2CCCCC2)NCC)CC1	383376473	ZOBIEGWMYJYDDM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CC(C)(C)C[C@@H]1C	383460948	AUSKVKHOVVMBIA-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC1CCC(C[C@@H](O)C2CCCCCC2)CC1	383922342	RCJCUMCBIDNSKR-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](N[C@H]1CC[C@@H]1C)c1ccccc1	384941812	CKNHBKNPGQKMCC-XIRDDKMYSA-N	245.410	4.696	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C[C@H](C)CC	385686964	JIZDGOTWTQQFFI-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@@H]1Nc1cccc2ccsc12	386238751	OGBOSHJZEGHNDT-ZDUSSCGKSA-N	245.391	4.892	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1C[C@@H]1CC(C)C	387965354	DYZCABSRGDPRIM-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)c1ccc(C)o1	394137304	QXUQPPRTBSIXNB-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)C1(C)CCCCCC1	394549568	ALTAZKDNNNDSQL-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CSc1ccc(C(F)F)c2cc(F)sc12	396245871	ONWQSKKOAWGDJD-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1cc2scc(C)c2cc1C(F)(F)F	396313145	ZQUMXENVTAWGSV-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCC[C@@H](Nc1ccc(F)cc1C)[C@@H]1CC1(C)C	397796670	QXMWAXIQZFFOJG-DZGCQCFKSA-N	249.373	4.761	0	10	BJAE	
CCC[C@@H](NC1CCCCCC1)[C@H]1CC1(C)C	397831694	RXRJGUKUVRVVIB-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](C[C@H]2CC=CCC2)NC)C1	402114196	AMEWNPVNCKDHOH-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
O[C@H](CCCC1CC1)c1ccc2sccc2c1	405986895	FHALBAUFVFHVAE-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)Nc1nsc2ccccc12	687793513	VQSAQANPZXCRBU-GHMZBOCLSA-N	248.395	4.533	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)[C@@H]1CC1(C)C	688941110	WEXIYTDVSHLJAF-HOTGVXAUSA-N	245.410	4.507	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1Nc1ccc(F)cc1	691099915	LBGQUTPTRYROBY-HOTGVXAUSA-N	249.373	4.843	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1Nc1ccccc1	691154468	HGJQQUQNFNMGFH-CVEARBPZSA-N	231.383	4.703	0	10	BJAE	
CC(C)c1ccc(C(=O)C2CC3(CCC3)C2)cc1	691928337	FQMACNVILZWNCK-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H]1CCCC2(CC2)C1	695919240	SUPXVTVXTYDGED-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CCC(C)(C)CC)C1	696703897	OWXCPIZTVUYECT-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCCCC(F)(F)c1ccccc1	698011937	YCFJNTITFURITL-UHFFFAOYSA-N	224.294	4.915	0	10	BJAE	
CCC(C)(C)C(=O)C1CCC(C(C)(C)C)CC1	701322810	FUEDGNWPHWQEFW-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CSc1ccccc1NCCCCC(C)C	703987909	VKQPTBOUDMCBRT-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@]2(N)CCCC23CCCC3)C1	704445880	GJWSBPAEJZNYAG-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)C[C@@](C)(N)c1cc2ccccc2s1	704505380	DGIDVFGTJIFWKR-IAQYHMDHSA-N	247.407	4.511	0	10	BJAE	
CC(C)Cc1ccc([C@H](N)[C@H](C)CC(C)C)cc1	704757943	YXVVUHKNKCKHTM-RHSMWYFYSA-N	247.426	4.567	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@@H]1CCC[C@H](C)C1	704960395	YGCRBFPLRICQOB-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)C1CCCC1	704981261	UYRJUJQXOJRWGD-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@H]1CCCC12CC2	706307412	BKUFSVACHYELIR-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)CCCCC[C@@H]1C(C)C	707764735	CDMMQERLGBKSDT-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC1=C[C@H](N)CC(C)(C)C1)CC(C)(C)C	709184889	HORXLJDSBLNWFQ-JSGCOSHPSA-N	237.431	4.523	0	10	BJAE	
C[C@@H](CCC[C@@H](N)C(C)(C)C)CC(C)(C)C	709190074	RLTMFJBJYXPCQB-QWHCGFSZSA-N	227.436	4.602	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)C[C@H](C)CC(C)(C)C	709218008	VZKALRDVLGUIJM-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1cscc1Cl	710427779	SYCIIZFCCNUJPB-SKDRFNHKSA-N	246.803	4.651	0	10	BJAE	
CC(C)c1ccc(N[C@H]2C[C@H]3CC[C@H](C3)C2)cc1	711066794	GOVUEUKYQBXFMD-XOIINTDNSA-N	243.394	4.801	0	10	BJAE	
CC[C@H](C[C@H](NC)C1CCCCC1)C(C)(C)C	711093977	LFMZPNVPQWVNLI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@H](C)C(C)(C)C	711181229	DUYKHDWKEKHBOA-HOCLYGCPSA-N	241.463	4.865	0	10	BJAE	
CC[C@H](C[C@@H](N)C[C@H]1CC=CCC1)C(C)(C)C	711199321	RVZTZQRLZSVVNL-ZNMIVQPWSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1sccc1Cl	711307161	IGDLAGGWGUQVIZ-JTQLQIEISA-N	245.819	4.618	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)CC(C)(C)C(C)C	713252887	XJNININEXWIQDL-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
C=C/C=C/CCN[C@H](CC)c1ccc(Cl)cc1	713503213	HKYVUYUFLBHBCL-LLYBFZRZSA-N	249.785	4.513	0	10	BJAE	
C/C=C/C[C@@H](CC)c1cccc(C)c1C	714550275	ULFHUJVCXOLXTA-HZRUHFOJSA-N	202.341	4.763	0	10	BJAE	
CCCC1CCC(N)(CC[C@@H]2C[C@H]2C2CC2)CC1	714770986	MDGDCOQXPWFZTM-YTWPKEEVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CCC(C)(C)CC2=O)C1	717530918	HEUUYEUPOLLMOW-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC1(CO)CCC=CCC1	718143183	ATYWWZHWPGZZNP-HNNXBMFYSA-N	238.415	4.702	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1C[C@H]1c1ccccc1	718778157	RNGYJDBZXHBGSE-CVEARBPZSA-N	214.352	4.927	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNC2CC2)CCC=CCCC1	718995732	FATPFYGJMQEVHC-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)[C@](O)(CC)CC1CCCCC1	720997657	HZUIMAVCSGKPSE-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC=CCC1)C(C)(CC)CC	721674636	AYIUNIZIMYOPSQ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@H](C)C1CCCCC1	721679087	OWNKGLBIXXDNOQ-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CC[C@H]2CCC[C@@H]21	722074362	HUJXQICPYWWKGQ-UKPHBRMFSA-N	243.394	4.801	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCC2(CC2)C1	723569202	OYEKCONYIHGEPX-CQSZACIVSA-N	243.394	4.945	0	10	BJAE	
CC1(C)CC(C[C@@]2(N)CCCCC23CCCC3)C1	723589491	ZGIOMOANWFCGCB-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCC(C)=CCC[C@@H](CC)CC(F)F	1887864809	UREVNSTYWMKSRB-LLVKDONJSA-N	204.304	4.804	0	10	BJAE	
CC(=CCl)CNc1ccc(C(C)(C)C)cc1	1889824376	IGIBQXSMKCLYPO-UHFFFAOYSA-N	237.774	4.539	0	10	BJAE	
CCCC(CCC)[C@H](N)CCC(CC)CC	1900700943	FMLNPVLOEHUQCV-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CCC(C)=CCc1ccc(C2(C)CC2)cc1	1900904753	XTWOYBVZONHCER-UHFFFAOYSA-N	214.352	4.637	0	10	BJAE	
C[C@@H]1[C@@H](CC=Cc2ccccc2)CC1(C)C	1901826424	PIQJDFZZWIBABR-HIFRSBDPSA-N	214.352	4.772	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)CC1=CCCCC1	1910808548	YBVNKABJCHOPQV-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
CC=C[C@@H](C)Cc1ccc(SCC)cc1	1911808898	LQIIDJMASIXKCR-GFCCVEGCSA-N	220.381	4.553	0	10	BJAE	
CCC=CCN[C@@H](C)c1cc2ccccc2s1	1911850000	JPJABISSTAOTAN-LBPRGKRZSA-N	245.391	4.518	0	10	BJAE	
CC(C)=CCC[C@@H]1CCCCCCCC[C@@H]1O	1913593534	LVXPAYYSNNIIMH-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H]1CNCC[C@]12CCC1(CCCCC1)C2	1915925140	RGOKSMYCUKLUES-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@](O)(CC)CC1(C)CCCCC1	1919514178	JFJGSFUSUAWLAP-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H](C)C1CCCCC1	1924136654	UMBZYARKIOBBQB-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
N[C@H](C[C@H]1C=CCCCC1)C1CCCCCCC1	1925944953	HWQATOFYMLAACP-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC(C)c1cnc([C@H]2CCC(C)(C)C2)s1	1930908550	PYAHIQSXPCAEHW-JTQLQIEISA-N	223.385	4.560	0	10	BJAE	
CCCCC[C@@]1(CN)CCCC(C)(C)CC1	1939900101	NXNANKXOLBOLIK-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](C)c2cccc(N)c2)C1	1940976675	OLKPFSPTAVECGJ-BFHYXJOUSA-N	231.383	4.589	0	10	BJAE	
N[C@@H](CCCCCC1CC1)CC1=CCCCC1	1941585493	GPENNQSQSJWMGS-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H](Nc1cccc(C2(C)CC2)c1)C(C)C	1944599552	DZJSJNBWFGFNQT-OAHLLOKOSA-N	231.383	4.585	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)c1cccc2ccsc12	1944660426	IDDVUHPHQFQXIV-CQSZACIVSA-N	247.407	4.583	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C(C)(C)C(C)C	1944660803	LUEDLXDWRIGQDV-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(C)(C)CCNC(C)(C)C	1944843651	SXGHVXOYVKJWGF-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(=O)C[C@H]1CC[C@H](F)C1)C(C)(C)C	1945205056	CMBSHVLNSCCLKS-XQQFMLRXSA-N	242.378	4.546	0	10	BJAE	
C[C@H](NC1CCCCCCCCC1)[C@@H]1C[C@H]1C	1947864384	OFJJESHCILVNCW-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCC1(C)CC(CNC2CCCCCCC2)C1	1948405177	JKDZCWZUJICMGA-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CCC2(CCCCC2)C1	1949022161	DZEPXZKOBBKLDU-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CC[C@@H]([C@](C)(N)CC2CCCCC2)C1	1949436661	XTGABIUSQXHWLV-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCNCC1(CCC(C)=C(C)C)CC(C)C1	1950524229	OFMUUNQZLSBRQD-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)C2CCCCCC2)CC1	1950910831	JTZPQXSBZRUABQ-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@]1(CNC2CC2)CCCC(C)(C)CC1	1950918828	LIYQGNIRQSNUMR-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCC1	1951237161	VRFYWOUSGKBLAV-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2nc(C)cs2)CC1	1958424991	PADFYACQIGYEDS-NWDGAFQWSA-N	223.385	4.525	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNC1(C)CCCCCC1	1963072809	YZRIQAZVODBUCX-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C1CCC(CCNC2C[C@@H]3CCCC[C@H]3C2)CC1	1965889661	ZYLBMZPXNSXCFK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(N[C@H](C)CCCC(C)C)c1	1968251801	JIFTZCXELTXVHW-CQSZACIVSA-N	219.372	4.622	0	10	BJAE	
Cc1ccc(F)cc1NC1C[C@H]2CCCC[C@@H]2C1	1968312651	OASWKRGXLAQOAX-CHWSQXEVSA-N	247.357	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1CCC2(CCC2)CC1	1968858854	HGGNBOTZCTWFOM-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
C[C@]12CCC[C@@H]1N(CCC1CCCCC1)CCC2	1973676902	ADXCJMVHAZMQLT-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
CCC(CC)C[C@H]1CCC(C)(C)CCC1=O	1984461241	BODKHTQVIYDPRD-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC=CCCCC[C@@H](O)c1cccc(Cl)c1	1984607785	RAWSOYHCJPZKAX-CQSZACIVSA-N	238.758	4.510	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccnc(Cl)c1	1990097019	DOTPPDOVUHFKTI-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
Cc1csc(-c2nc(CC3(C)CC3)cs2)c1	1995469218	HOLOCDFYUQITTF-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
CCC/C=C/CN[C@H]1CCC[C@@H](C(C)C)CC1	1995875623	UZYDZYIXTLQWPH-ZWOPJXCPSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@@H]1CC[C@@H](C)C1	1996265452	ABAPRIUEZZPUAF-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(NCc2cc(C)cs2)cc1C	1996649336	NZCBIYNNZJJFCH-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@]1(C)CC=CCC1	1997545434	CNGZOKBMJQDDAZ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H]([C@@H]1CC[C@H](C)C1)C(CC)(CC)CC	2000375664	FMLPNWFZRVEAIG-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]([C@H]1CCC1(C)C)C(CC)(CC)CC	2000381615	GPEVWMKIOQDIDH-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1CCC12CCC2)NCC	2001854947	RBLORQHQEPPWJW-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CC2(C)CCCC2)C[C@H]1C	2003179733	RWQHFGZXSNEVDP-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@H]1CCCC(C)(C)CC1	2004226004	LIUQHUXIHJEHGH-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CNC1CCCCCCC1	2004711252	HUKVHPRDXROLMS-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H]([C@@H]2CCCC[C@@H]2CC)C1	2006672326	CQMFHHOBKHXCJV-TTZDDIAXSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@H]1CCCC(C)(C)CC1	2006719497	WEROVPCWHPNOBV-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC1([C@@](C)(O)C=C2CCCCC2)CCCCC1	2007921459	MPUKMYHAJLLEFQ-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@H](C=C1CCCC1)NC)C(C)(C)C	2007934698	MUOQBHDLAZUYFN-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC2(CCC2)NC1	2008286646	MMPIAWUZLIZEBE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1cccc2ccsc12	2009592083	JUICMBJAXUFGRK-BAABZTOOSA-N	246.375	4.681	0	10	BJAE	
CCCC[C@@H](NCCC)C1=CCC(C)(C)CC1	2010713802	FUWSZXPOJLAZSF-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
c1cc(CC2CC(=C3CC3)C2)c2ccsc2c1	2011089153	JIIUDZUAXHUGID-UHFFFAOYSA-N	240.371	4.944	0	10	BJAE	
CCSc1cccc(NCCC[C@H]2C[C@H]2C)c1	2011580962	MGDHGKXXSHEFQV-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@]3(C)C[C@H]23)cc(C)c1Cl	2013053595	BAXAGNWOJJOMQU-UMVBOHGHSA-N	249.785	4.557	0	10	BJAE	
CC[C@@H](C)C[C@H](O)c1sc2ccccc2c1C	2014295160	YFPOWPVOEXIOJF-MFKMUULPSA-N	248.391	4.679	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@](C)(N)[C@@H]1CCC1(C)C	2014876080	FVHVFMNETATYFD-WOSRLPQWSA-N	239.447	4.602	0	10	BJAE	
CCC[C@](N)(CC(C(C)C)C(C)C)C(C)(C)C	2015396365	DQHNGQKHISPEFG-INIZCTEOSA-N	241.463	4.848	0	10	BJAE	
CCC1(C[C@](O)(CC)C2CCCCC2)CCC1	2015585157	ZHSQTGCLSYUQAF-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)C[C@H]1C[C@@H]1C	2016851546	IZJKCINRTMJOOO-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(O)CC1(C(C)(C)C)CCC1	2017113860	FXTDVKGNWNZBBY-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C1(CC(=O)CCCC2CC2)CCC1	2017129734	SEHLNHAHELSQQZ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCCNCC1(C(C)(C)C)CCC1	2017134161	CQBYPWBBAYGJQM-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(C[C@@H](NC)C(C)(C)C)CC1	2017722173	DQWVQSQXWCNFTH-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@H](C[C@H]1CC[C@H](CC)CC1)NC	2017730131	DGLMBUCSIPOMEN-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC2(CN)CCC2)CC1	2017732434	BADHTHFKVJGEBV-SHTZXODSSA-N	237.431	4.502	0	10	BJAE	
CCCC1(C[C@H](CCC2(C)CC2)NCC)CC1	2018996838	WKQRQTFFLSVAKL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCCCCN1[C@H]1C=CCCCCC1	2019121457	IZBLEEMVSNUYJY-HOTGVXAUSA-N	235.415	4.530	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CC[C@H](C)[C@@H](C)C1	2019122014	POTHQGSOOHIQMC-YHUYYLMFSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC1(C)CCCC1	2019194067	NSIYCQKOSFLKNP-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)C1CCC(C)(CC)CC1	2019383705	DNULOGFVTLMLGZ-FXQLRMTLSA-N	239.447	4.712	0	10	BJAE	
CCCCN(CCCC1CCC1)C1CCCC1	2020535365	GIJZBQVKSHPBIZ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC1(O)CCCCCCC1	2022452436	XALGSTXIIKINRZ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCCC(C)(F)F)CC(C)(C)C	2023295998	QDQSEZJBFKKUAH-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC1(CC)CC(O)(CCCCC(C)(F)F)C1	2023304643	OWIORQZLXCRRKO-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CC(C)[C@](C)(O)CC1CC(C)(C)CC(C)(C)C1	2024120784	ZCRLLEVQOZZMGB-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(O)CCC(C)(C)C2)C1	2024128092	KBNSQPRVAOZFGO-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)c1ccc(C2CC2)cc1	2029081667	VXZBYKTZQHKHIU-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CC(C)CC[C@@H](O)c1ccc(C2CCCC2)cc1	2031748688	BYPOUKKBHXKUMN-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CC[C@H](NC[C@@]12CCCC[C@H]1CCC2)C1CCC1	2031787257	BKIXUDXFVJDKLH-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1ccoc1)C(C)(C)C1CCCCC1	2032294070	UVBSNZJYHZBCJN-OAHLLOKOSA-N	249.398	4.537	0	10	BJAE	
C[C@@H]1C[C@@H](C2C(C)(C)C2(C)C)c2ccccc2N1	2034040519	WWHCNDKKWJBNJD-DGCLKSJQSA-N	243.394	4.657	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)C(C)(C)C1CCCC1	2035603034	YAYQZKOVLIBTNS-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@](N)(CC1CCCCC1)C2	2036662845	ZFXLXMCUYGWKGM-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC(CC(=O)[C@H]2CCC3(CC3)C2)C[C@H](C)C1	2038571601	KXVZYWHIYDCTDF-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCC1CC1)CC12CCC(CC1)C2	2039420384	LPNANMIISQKLPO-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
CC1([C@@](C)(N)CC2CCC=CCC2)CCCCC1	2039850508	UOTQAZILWMBJMR-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
C[C@H](CCC1CC1)Nc1cccc2ccccc12	2040315296	CVGLPPNUUQSGOG-CYBMUJFWSA-N	239.362	4.830	0	10	BJAE	
CCN[C@H](C[C@@H]1CC12CCCCC2)C1(CC)CC1	2047016388	ONMVKKOKAQHMIA-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC[C@]1(C)CC=CCC1	2047718493	OXHFJUPSQHOGFB-NVXWUHKLSA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@@H]2CC23CCCC3)C1	2049527448	BZUPADZOMADAQQ-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(N[C@H]2CCC[C@H]2C2CC2)CCC1	2049681783	PLVBGHVEPYCIEB-IRXDYDNUSA-N	249.442	4.658	0	10	BJAE	
CC(C)C1CCC(N)(C[C@H]2CCC3(CC3)C2)CC1	2049850697	ZQZVYYITIRGSHY-UQPPLGOBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC2CCC3(CC2)CC3)[C@H](C)C1	2049963478	MUTAAWYXXRGEDZ-GZBFAFLISA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@H](N)[C@]2(C)C=CCCC2)C1	2050009548	YWHRNFVUFWLDNH-JZAWBGDQSA-N	249.442	4.523	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC2CC2)CCCC12CC2	2053352358	BHEQDJMRTACHGZ-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
F[C@H](CNc1cccc(C2CC2)c1)C1CCCC1	2058035508	LHVSTLBLEUWDKI-MRXNPFEDSA-N	247.357	4.504	0	10	BJAE	
CCC1(CC)CC(NC2C3CCCC2CCC3)C1	2058830084	RVCOVNVEPUDTEO-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC(N[C@@H]2CCC[C@H]3CCCC[C@H]32)C1	2058831271	JFRDXEYGOAPEAA-OWUKFGMTSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2[C@H]3CCCC[C@H]23)CC1	2058991260	IGMLUZZYOWRUSU-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CCCC1CC(N[C@H](C)c2ccc(C)cc2C)C1	2059391784	HRFWZDYUNMGSQR-QQFBHYJXSA-N	245.410	4.533	0	10	BJAE	
CCCC1CC(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2059392953	YSGMVRGESJAMTD-RZFLTCLSSA-N	249.442	4.514	0	10	BJAE	
CCCC1CC(NCC2(C3CCCCC3)CC2)C1	2059396170	WFXQQROXEIZXQG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)CC2CC(C)(C)C2)CC1	2061138971	BODWHWYLSQTTCS-GOEBONIOSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H](NC1CC(=C2CCC2)C1)C1CCCCC1	2061256751	RYKLJPYETMIREH-QGZVFWFLSA-N	247.426	4.578	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)C)C1CC(=C2CC2)C1	2061648140	VKIGROXAEMRTBY-DYVFJYSZSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCCC1)C1CC(=C2CCC2)C1	2061730583	JXCBAWUNECJNJB-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CCC(CC)C[C@@H](CC1CC(=C2CCC2)C1)NC	2061739446	NMFUOBOTCDYQNT-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@](O)(CCC[C@@H]1C[C@@H]1C)c1ccccc1	2062604175	VFWYUSXAPPJLPX-UXLLHSPISA-N	246.394	4.501	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCC1	2063426711	DEQYMRHGPBRVHU-LUYZLQTOSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(NCC2C[C@H]3CCC[C@@H]3C2)c1C	2063470332	AQSBKVOMIFEMFG-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
O=C(CC1CCCCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063525616	XBADMXCANWPYRC-PHZGNYQRSA-N	248.410	4.742	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)C=CCC2(CCC2)C1	2063678773	UHZQQQHTLDZNTE-QGZVFWFLSA-N	246.394	4.518	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)C1CC2(CC2)C1	2064498088	PMTWFMDERHDMRH-ZDUSSCGKSA-N	243.394	4.548	0	10	BJAE	
CCC[C@H](C)CN[C@H](C)c1c(C)cc(C)cc1C	2066315501	ZFDDDPAJBHNLCY-BLLLJJGKSA-N	247.426	4.699	0	10	BJAE	
CC1([C@@](C)(N)[C@H]2CCC3(CCCC3)C2)CCCC1	2067529758	KORRIBRHLSCMKD-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](NC[C@@H]1CCC1(C)C)c1ccccc1	2068239940	QNSFPKVWMPWBFC-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1ccc(NCC2C[C@@H]3CC[C@H]3C2)cc1	2068746733	WCQIRHQKPQEAQD-HOTGVXAUSA-N	243.394	4.658	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)c1cc(C)c(C)o1	2068915756	XMESBUKCCIVARX-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@@H]1CC12CCC2	2069172172	QPWQOIRABNVXAV-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](NCC1(CC2CC2)CC1)C1(C)CCCCC1	2069500217	HCUAKYZTCRTVGE-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C1(CC(C)C)CC1	2069517916	RXIKDPKFCOGHRJ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)n1ncc(Cl)c1C1CCCCC1	2069850178	HFSNGKPPTDMOAZ-SNVBAGLBSA-N	240.778	4.555	0	10	BJAE	
CN[C@H](C[C@@]12CCC[C@H]1C2)C1(C)CCCCCC1	2070961491	CQZYZBSZZZDSNK-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@]23CCC[C@H]2C3)CC1	2070971897	PQBKRNXSIQFOPG-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@@H](N)[C@H]2CCCC23CCC3)CCC1	2071941630	VUDKYPKEDIJWHW-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CC1(C(C)C)CCC1	2071941938	YVJYSTCZPNAWAB-JYJNAYRXSA-N	249.442	4.523	0	10	BJAE	
CCC1CCC(C[C@@H](NC)[C@@]2(C)C=CCC2)CC1	2072807744	ZFRZSGVDAGLXQJ-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CCCN1[C@H]1CCC12CCCCC2	2075010691	MWKWKOIACOGSES-HOTGVXAUSA-N	249.442	4.610	0	10	BJAE	
CC[C@H](C)[C@H](C)N1CC(C)(C)Cc2ccccc21	2075202112	ADPYIBDGDSYIOK-KBPBESRZSA-N	245.410	4.510	0	10	BJAE	
CCCCN(C[C@H]1CCC=CCCC1)C1CCC1	2076757503	CIOLUESIWOCSON-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@@H]2C[C@@H]2C(C)(C)C)c1	2079849960	BUTDXFJMGQWAQZ-ZFWWWQNUSA-N	244.378	4.558	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@H]2C[C@@H]2C2CCCCCC2)C1	2082262869	XGBPHYAZVRVZBQ-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](c1cc(C)cc(C)c1C)[C@H](C)C(C)C	2082920849	CAJILRXCAIZGLB-RHSMWYFYSA-N	247.426	4.555	0	10	BJAE	
C[C@@H](N[C@H]1C[C@H]2CCC[C@H]1C2)C1(C)CCCCC1	2086159516	XHRGHRGPNAZGLG-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213270387	DIIARWRJNFVXKQ-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](NCCCCCCC2CC2)C1	2213580004	IXJAUBXVMROVSJ-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C1([C@H](N)CCCCC2CC2)CCC1	2214569405	NHGYDHLORPIHFJ-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC1(C)CC2(CCC2)C1	2215461051	OMALQUDCERWYRF-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CN[C@@H](C)CC)C[C@H]1CC[C@H](C)CC1	2217152358	DDCCHBZKDVVQBE-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
N[C@H](C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCCC1	2218353884	MGUKPFGVUXHCMK-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
C(CCCN1CCC[C@@H]1C1CCC1)CCC1CC1	2218730006	BRVRJJIBHYNZER-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1CCCCC1CC1	2220045519	OAAWAUZOQZJOAG-UKRRQHHQSA-N	243.394	4.802	0	10	BJAE	
CCCCC[C@H](CC)Nc1c(C)cccc1OC	2220300547	JWKMIVUVWIIEOO-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H]1C)[C@]1(C)CC=CCC1	2220549432	IYPTZKGNISXNHZ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@H]1CC2CC1C2	2223156148	YOQKFEKCNQXOCH-GQGLESIBSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)CNc1c(C)cc(O)cc1C	2223339627	HUSWUJPBTAYQOJ-UHFFFAOYSA-N	249.398	4.637	0	10	BJAE	
CC[C@H](N)CCCC[C@H](C)CCCC(C)C	2244868764	SIWQPRVNHGCXHM-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
CCC(CC)[C@@H](O)CC[C@@H]1CCCCC12CC2	2246626845	MTXMCDLXXYKHEL-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC1CC2(CCCC2)C1)NC	2246819601	KFQZZCQBOTZXRN-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@H]1CCC12CCC2	2247311131	ORILSCOBMOZIQY-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@H]1CCC12CCC2	2247407002	KQUWEQINFFZDAJ-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC[C@H]1CCCC12CC2)NC	2247619428	NSGZOUFZGYODFI-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Clc1ccc(NCC[C@@H]2CCCC23CC3)cc1	2247656482	RBZCACHDPXDXEM-LBPRGKRZSA-N	249.785	4.722	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H]1CC(C)(C)CC1=O	2248880036	PWUICYIJTORCGB-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CC1CCC(C)(C)CC1	2250355397	AVWURKCUAZUKPR-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCCC[C@](O)(CC)CC1CC2(CC(C)C2)C1	2250448550	YPUGOHMCPIQASR-LGGPCSOHSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(O)C1(C)CC1	2250496813	VXWJONDWRDMFMO-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)c1ccc2ccsc2c1	2253090049	QROCXFHEEKOHHG-MFKMUULPSA-N	244.359	4.520	0	10	BJAE	
CC1CC(C)(C[C@]2(CN)CCCCC23CCC3)C1	2253673733	DGXUWXCSVSYNLW-DQPZFDDXSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](NCCCC[C@H]1C[C@@H]1C)c1ccccc1	2254535429	PVIADVXKNWKCIU-XIRDDKMYSA-N	245.410	4.554	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CCCC[C@H]1C[C@@H]1C	2254576394	GUSBZIOQPBHMPS-QUSNUVHPSA-N	249.442	4.523	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CCCC[C@H]1C[C@@H]1C	2254588823	IEZXGGAWDQKOCF-HRCADAONSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CCCC12CC2)CC1CC1	2255291146	MMWIUYXENDQXMU-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C1CC(C2CC2)C1	2257303781	OFOPHASLEKRBMJ-UUNGTBAKSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(NC[C@@]23CCCC[C@H]2C3)cc(C)c1C	2258234050	AGYKSYFCSFFKNE-RDJZCZTQSA-N	243.394	4.604	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNc1ccccc1N	2259649972	WXFRIIKAODHZLP-CQSZACIVSA-N	248.414	4.533	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@]12CCC[C@@H]1CC2	2260505119	YDKIBKUBTPZFLC-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@]23CCCC[C@@H]2CC3)C[C@H]1C	2260646543	MJFLUKYRNUQABU-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@]23CCCC[C@H]2CC3)CC1	2260659838	ZNBKOUHOPCVHAQ-QBYUYEEZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@]23CCC[C@@H]2CC3)C1	2260673091	QTFXTYPEOIUNPU-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@]12CCCC[C@@H]1CC2	2298714746	NXUZKAPFCWOSNA-OAGGEKHMSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H](O)C1(C)CCCCCC1	2298908738	RWQMQXWWGAVSQC-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@](C)(O)C1CC(C(C)(C)C)C1	2300471275	HQRWAXYZRAMYPA-XUJLQICISA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@H]1CC12CCCC2	2300472007	NCKSNMLKTYGSHC-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CC[C@H](CC)CC1	2300680812	IDQSMZZTNDWLJS-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CC(C)Sc1ccccc1NC1[C@@H](C)C[C@@H]1C	2300940648	UZMKWKKPCAJLRG-RYUDHWBXSA-N	249.423	4.644	0	10	BJAE	
CCCNC[C@H](CC1CCCCCC1)C(C)C	2301243608	DJYXBAWCTJOCOK-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@H](C)[C@@H](C)C(C)C	2301845580	YVGIQVWKQSIOJP-JONQDZQNSA-N	241.463	4.719	0	10	BJAE	
CC(C)(CC(=O)CCC1=CCCCC1)C(F)F	2301921140	KYUGHSGRWAFPQK-UHFFFAOYSA-N	244.325	4.518	0	10	BJAE	
C[C@H]1[C@H](C2(N)CCCCCCCC2)CC1(C)C	2302169073	JJUOMKXMVXUBTD-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC(=O)C[C@H](CCCC2=CCCCC2)C1	2302344373	FJQZMJUEELPBSY-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](O)CCCCCC1CC1	2302607788	CDIYSPKVYMISFH-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(CC(=O)CCC[C@@H]2C[C@H]2C)CCC1	2302610908	ZAYUAUGVOYYBNA-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CC[C@H]1C(C)(C)C	2303486814	HPHGTBSCBPTOKO-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C[C@H]1CCC(C)=C(C)C1)NCC	2303577222	HHYLTAQWXQUVNV-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CC)CCC(C)=C(C)C1	2303581852	CKQXFZJYRNPDKY-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCNC[C@@H](C[C@@H](CC)CCC)C1CCC1	2307835796	SZYQICPARCRKSQ-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1cc(C)ccc1C	2307840061	AZXLOKVMLZAPER-HOCLYGCPSA-N	234.383	4.553	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC[C@@H](C2CC2)C1	2307844746	OJEBVDGYPQBQNQ-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@]12CCCC[C@H]1CC2	2307891458	CIAGTOKVSDMPMR-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@H](CC)C(C)C	2307895569	QSGKKOMWTKNORS-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1CCC2(CC1)CC2	2307906903	AEXHTMXOWUHQTM-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1C[C@H]2CCCC[C@H]21	2307927007	UEZCTXIUEIAIOB-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](N)CC[C@@]12CCC[C@@H]1C2	2310373595	CPGKBADTRZPZFI-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)C[C@@H]2C[C@H]2C2CC2)C1	2312671019	UZLANRGHTLUSQL-SHFYGJNESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	2313031210	PQSZXNUTYXEFJT-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CCc1cc([C@@H](N)C(CC)(CC)CC)ccc1C	2314693508	BWIINROVNUPFIN-MRXNPFEDSA-N	247.426	4.774	0	10	BJAE	
CC=CC[C@@H](NCC)c1ccccc1C1CCC1	2316557756	RHPJAVILSZBBOZ-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1CC12CCC2)CCCC(C)C	2316570615	LAVREHSQRDLQLC-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
O=C(CCCCC1CC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316747008	MYSNOSWNBMONFE-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
N[C@@]1(CC2CCCCCC2)CCC12CCCCC2	2316878809	BAQZSMKWAIAAKX-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)C2CCC3(CC2)CC3)C1	2319120455	DBKGTMBVJOQKCT-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC[C@@H]3C[C@H]32)c1	2319251828	HYTAOWDOSZNDAE-DJIMGWMZSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCCC[C@H]2C[C@@H]21	2319255080	IOJQJRKLPLQTBV-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)[C@]23CCCC[C@@H]2CC3)C1	2319327142	TZLHAKQHVIHENW-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@@]1(N)CCCC2(CC2)C1	2320246983	NMPXLYLNBFRROC-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CNc2ccc(C)cc2C)CC1	2320420811	RPJOXQHLTKSDQB-MRXNPFEDSA-N	243.394	4.852	0	10	BJAE	
CC(C)NC[C@@]1([C@H]2CCC[C@@H](C)C2)C=CCCC1	2326698759	HNCMCXXDIKERQF-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cc(C)ccc1C(C)C	2327791855	XAASXRKTEHKYPA-INIZCTEOSA-N	247.426	4.945	0	10	BJAE	
CCCCCCc1ccc([C@H]2CCCC2=O)cc1	2327921984	WLJUWYZESPWWES-MRXNPFEDSA-N	244.378	4.646	0	10	BJAE	
CCCC(CCC)Nc1cc(C)ccc1F	20471618	VRUJBKBZUIYLKB-UHFFFAOYSA-N	223.335	4.515	0	10	BJAE	
CCCCC[C@H](C)Nc1cccc(CC)c1	21815805	BIXHNDVLTIDMEW-ZDUSSCGKSA-N	219.372	4.630	0	10	BJAE	
CCCN[C@H](CCC)c1ccc(C(C)(C)C)cc1	35582258	JVRREBNTOUXNJL-MRXNPFEDSA-N	247.426	4.825	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N[C@@H](c1ccccc1)C(C)(C)C	36994506	BDDKWTFXNWHWEB-FMKPAKJESA-N	247.426	4.798	0	10	BJAE	
CCC[C@@H](C)N[C@H](c1ccccc1)C(C)(C)C	36994677	JQLLLLTWQBKVSW-UKRRQHHQSA-N	233.399	4.552	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@H]3CC=C[C@@H]32)cc1	37277558	MZJFTGGZGNKDEF-JSQNDZKTSA-N	241.378	4.577	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCCC[C@H]1CC	71161091	JYYZPQZUBUYJMT-ZBFHGGJFSA-N	245.410	4.938	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H](C)c1ccccc1	83377765	DVYHAINODKWJGQ-WBVHZDCISA-N	247.426	4.739	0	10	BJAE	
CCc1ccccc1CN[C@H](CC)C[C@H](C)CC	84200797	WXZUFBOZOUXNKP-RHSMWYFYSA-N	247.426	4.553	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2cccc(Cl)c2)C[C@@H]1C	84836865	PRZNNDNOEVCLKI-COPLHBTASA-N	237.774	4.577	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)CC(C)C	87522305	UOQRZMLHDHGZAU-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccc(C(=O)C2C(C)(C)C2(C)C)cc1	91482730	HUFSAOSDMWRUSC-UHFFFAOYSA-N	244.378	4.675	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1C)C1(C)CCCC1	94900307	YBNZMVVNFUBOJZ-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCC(CC)C[C@H](N)c1cc2cc(C)ccc2o1	97384260	WXNTULCIDDFPJE-AWEZNQCLSA-N	245.366	4.567	0	10	BJAE	
CCCCCC[C@H](N)c1c(C)cc(C)cc1C	97467976	QCMWINJDZVLPRJ-HNNXBMFYSA-N	233.399	4.582	0	10	BJAE	
CCCC[C@](CC)(CNC)CC1CCCCC1	103999501	HKSQYEQDULRKIQ-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
FC(F)(Cl)/C(Cl)=C/C1CCCCC1	104836642	ODSFZALCCPWNES-VURMDHGXSA-N	229.097	4.521	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cc(C)sc2N)cc1	105554951	NRZPSGNEOJZQQX-SNVBAGLBSA-N	245.391	4.819	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC1CCCC1)NC	125213547	DSPCXHLGLANNGW-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(Cl)c(-c2ccc(N)cc2C)cc1C	128496110	URAIBVMIKFOVDR-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)c1csc(C)c1	129449339	ZGZSNYARVJBWTQ-RISCZKNCSA-N	239.428	4.533	0	10	BJAE	
Cc1cc(Cl)c(NC2CCCC2)cc1Cl	132057125	PAGVHRNLMGOBHQ-UHFFFAOYSA-N	244.165	4.656	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1CN	132189691	HQHYFEIHCYFGEY-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
CC[C@H](C)SCc1nc([C@@H](C)CC)cs1	132244427	BXJCWMUQSMZPTF-UWVGGRQHSA-N	243.441	4.688	0	10	BJAE	
CC(C)c1ccccc1NCCCC(F)(F)F	133732346	HKKJLSZAOLFIBE-UHFFFAOYSA-N	245.288	4.564	0	10	BJAE	
CCC(CC)C[C@@H]1CCCC[C@@H]1CNC(C)C	150088310	BRQSZHQXVDCGMH-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C	165571468	GJCRTXSMZBPVJR-OAGGEKHMSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CC1CCCCCC1)CC1CC1	167633387	KOAXOEWQTBIZKC-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Clc1ccc(Sc2ccccc2)s1	196419216	TXFWYVVOLFOSIB-UHFFFAOYSA-N	226.753	4.553	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@]1(N)CCCC[C@@H]1CC	227022457	CPCXZMPUZSOOCK-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](NCCC1=CCCC1)c1cccs1	228585973	XQUOOGIDEVARLN-HNNXBMFYSA-N	249.423	4.535	0	10	BJAE	
CCCN[C@@H](CCC1CC1)c1cc(C)ccc1C	229553019	SMRCHKFHWSLKRU-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](CCC)CC[C@H]1NCC	250803055	DMPMEIPEKLMOEY-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCCC[C@H]1CC	250831311	RFWSBFCIUAPRSB-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C[C@H]1O[C@@H]1C)c1c(C)c(C)cc(C)c1C	251041152	CNKFCFFYLXCXPL-BZUAXINKSA-N	246.394	4.591	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCC[C@H](C3CC3)C2)CC1	300585202	XVQAJTQRRZBLFZ-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCCCC(C)(C)C)C1CCCC1	302316863	PWMFWRPFKAASEZ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)c1ccccc1C1CC1	302425823	USLBYFOEYPBKPI-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
Fc1cc(C(F)F)c(Cl)c2sccc12	306788861	XLOHSHYJGMSXDR-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
C/C=C\[C@@H](C)c1ccccc1NC(C)(C)C	309057262	ZWVYOHFENZOJSB-OJIASSBASA-N	217.356	4.577	0	10	BJAE	
CC1(C)CC[C@H]1Nc1ccc2sccc2c1	309289027	JHVAYWAJCXTYJN-CYBMUJFWSA-N	231.364	4.502	0	10	BJAE	
CCCCC[C@@H](C)NCC(C)(C)C(C)(C)C	309480562	DLGAMWKSDQIYAN-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H](C)C1)C(CC)CC	310294758	AJXXLHLUORZEMF-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@]1(CCC2=CCCCC2)CC[C@H](C)C1	317105222	BQOJSAYQEJGKBI-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
C/C=C/C[C@]1(CNC(C)(C)C)CCCC[C@@H]1C	318251746	GRPNGGQMVBKEHF-WWCKUISVSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](NCC1CCCCCCC1)C1CCC1	324699150	XRBKGVGCWUDUGC-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Clc1cccc2c1ccn2CCC1CCCC1	379796183	FQFOHYWPTMOETR-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)c1csc2ccccc12	380029803	GBTOZZNLAGERHF-XHDPSFHLSA-N	247.407	4.583	0	10	BJAE	
CCCNCC/C=C(\C)CCCC(C)(C)C	380491062	QXAIJLRYDIRANE-GXDHUFHOSA-N	225.420	4.539	0	10	BJAE	
CCc1cc(N[C@H]2C=CCCCCC2)ccc1C	380703644	XYSXZKBILQIEAT-INIZCTEOSA-N	243.394	4.858	0	10	BJAE	
CCOc1cccc(NCCCCCC(C)C)c1	383220985	RODSIJUWMHFQSD-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@@H](C)C(C)C	383649895	HGFUONOANJNBLK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H](C)CC(C)(C)C	384563028	IBBLIXSZMBGWCO-NSHDSACASA-N	239.790	4.885	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CCC2=CCCCC2)C1	384880102	UHMIAIRIYRSTBS-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CCN[C@@H](C[C@H](C)c1ccccc1)C[C@H](C)CC	385291181	ZUDYTWLWVLKBQB-HLLBOEOZSA-N	247.426	4.595	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)[C@H](C)CC(C)C	385328927	BKELWFJLGNYXOM-RHSMWYFYSA-N	247.426	4.753	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC1(CC)CCC1	390352124	PNTXIWNQNGRJNQ-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CNc1ccccc1OCC(C)C	394599237	OMLDDBMCBHXBHW-UHFFFAOYSA-N	249.398	4.570	0	10	BJAE	
CC1([C@@H]2NCC23CCCCCC3)CCCCCC1	394726536	OLQLRMAQFGLECO-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
Cc1sc2ccc(S)cc2c1C(F)(F)F	396298325	IEHYECGVLQKYDL-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@@H](Nc1cc(C)cc(C)c1)[C@H]1CC1(C)C	397601802	MBXJRPMJGXFLCH-HZPDHXFCSA-N	245.410	4.930	0	10	BJAE	
CC[C@@H](Nc1ccccc1Cl)[C@H]1CC1(C)C	397864106	YTQZCCMEEUQZRZ-ZYHUDNBSSA-N	237.774	4.577	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)c1cc(C)cc(C)c1	401253998	BJSPQCLHCHDSQQ-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C1CCCCCC1	401382533	HVGUSHWZARWFNR-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](C)NCC1(C(C)C)CCC1	687274219	XAFKUQNHPJIDNO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(N)([C@H]2C=CCCCCC2)CC1	690416175	YNZAKTQRWCJOCO-CGZBRXJRSA-N	249.442	4.811	0	10	BJAE	
CC(C)CCCN[C@H]1CCCCC[C@H]1C(C)C	691172028	XEUISZQDBNNWCA-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(=O)[C@@H](C)c1ccc(C(C)(C)C)cc1	695074625	QQCVSJMSNHUUCW-ZDUSSCGKSA-N	246.394	4.703	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCC[C@@H](C2CC2)C1	696678976	QDSBGQWMOJTBDC-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC[C@H]1CNC(C)(C)C	696805223	HAAZICIMAZFWOW-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1c(C)oc(C)c1C	697775065	NNVYPDCQEZNBGL-HNNXBMFYSA-N	249.398	4.602	0	10	BJAE	
CCC(C)(C)[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1	700943450	MMOHULXVCPEZOD-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cc2ccccc2s1	701096698	CBQWVFNYKUBTLF-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CC(C)CCC[C@H](O)c1cccc(C(C)C)c1	703991004	JLNFAKGDCVIBMC-INIZCTEOSA-N	234.383	4.670	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCC12CCC2)C1CCCCC1	704818434	MFHLOSVWMDSZML-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCC=C(C)C)NC	704908571	XCDIBKPMDJBBCM-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CC(C)CCCCCCN[C@H](C(C)C)C1CC1	705366955	OLRFCEDTFYBFMH-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCNC(C)(C)C)C[C@@H](C)CC(C)(C)C	709076192	GBJDKYFOXJLRNQ-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCC1CCC([C@](C)(N)[C@]23CCCC[C@@H]2C3)CC1	709270831	BSCPIJYQQGXOKC-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](O)(C[C@@H](C)C(C)(C)C)C1CCCC1	710744011	YFHDSUVUEBMVCB-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H](C)C(C)(C)C	711134533	MQCZUBPJDPFPJL-TZMCWYRMSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1ccc(NC)cc1	711842361	FLIKWZXNCOMPIC-ZDUSSCGKSA-N	247.382	4.518	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)C1CCC(C)CC1	713750725	YLOQMKMERSHTQB-LUXGMQOYSA-N	249.442	4.703	0	10	BJAE	
N[C@H](CCCC1CC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714407767	BXIPJUHACPRGCJ-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1NC1CCC=CCC1	718030811	WFRJKCOMJCLNSU-SJORKVTESA-N	249.442	4.680	0	10	BJAE	
CC(F)(F)CCC[C@]1(O)CCCC(C)(C)CC1	718640717	YFKBZCYAQOQNIZ-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CC[C@](O)(CCC(C)=C(C)C)c1cccc(C)c1	718685086	BZAFMNLEWOVKMR-KRWDZBQOSA-N	246.394	4.729	0	10	BJAE	
CSc1cccc(CCC(C)=C(C)C)c1	718692752	OUSHMSNTISHQNL-UHFFFAOYSA-N	220.381	4.697	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cc(C)ccc1C	718721853	LIJPXARFBMUSIF-UHFFFAOYSA-N	230.351	4.623	0	10	BJAE	
CCCN[C@@H](CCC)c1cscc1C(F)F	720335464	HXWWVHAUNDOUMA-NSHDSACASA-N	247.354	4.527	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CCNC12CCCCC2	721070105	DOOUPEYHHBOTMO-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCC2(CC2)C1	723561064	WHFAIMLNOJULEZ-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](C)N(C)C[C@H](C)CC(C)(C)C	1643311863	CCAXUYMVOVDDLI-KGLIPLIRSA-N	227.436	4.569	0	10	BJAE	
CCCNCCC=C(C)CCC1CCCCC1	1883150631	VVTDCFKSHWNFNB-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCCC[C@@](CC)(CO)C[C@H](CC)CCC	1905386040	DGGHRFRTZKLRSW-HUUCEWRRSA-N	228.420	4.782	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)C(C)(C)C	1905445482	QIJGPBCLWVNGCB-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)CCC2(CCCCC2)C1	1915907912	JWNZNSLSJMZRFN-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC=CC[C@]1(CNC(C)(C)C)CCCC12CCC2	1921603969	HXICVRNLPLSBML-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCC1)[C@H](C)C1CCCCC1	1924101387	RMHCYXGQOYFEMW-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@H]1C=CCCCC1	1925801151	AFVQIOZVMKXCFD-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C[C@H]1C=CCCCC1	1925928811	YUDAZQVDKUZXMX-DOTOQJQBSA-N	247.426	4.601	0	10	BJAE	
CCC(CC)CCNc1cccc(Cl)c1	1926203562	RLEQBBITIHVYCJ-UHFFFAOYSA-N	225.763	4.578	0	10	BJAE	
CCCC[C@@H](C)C(=O)CCC[C@H]1CC1(C)C	1935942201	ZNVURCBYHNMMSL-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](NCC)c1csc(CC)c1	1936759659	UBJIXIVQIVMXNF-AWEZNQCLSA-N	239.428	4.541	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)CC1(C)CCCCC1	1940377694	HBVGHLJXAMAIOU-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CNCC(C)C)CC1(C)CCCCC1	1940405285	GWABJLVDITYEDT-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1CC1(C)C)CC(C)(C)C	1940871262	AZAZRUCWXDTDPG-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@@H](C)CC(C)C	1940879302	WRKZZSMFMDOYJA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(CCCCCC1CC1)C(C)(C)C	1941574234	YHRMLIPCYCBTHJ-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@@H](CC1CCC=CCC1)NCC	1941795868	SLQBQLHOIMXUHM-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)NC1CC2(CCCCC2)C1	1941800203	MUILGXYYBCMEFG-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
CC(C)NC[C@H](CCCC(C)(C)C)C1CCC1	1942089115	OMMCGBOQUUSQPG-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)C(C)(C)C(C)C	1944668177	KWOPQGMPCUVRTB-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H](C)NCC12CCC(CC1)C2	1945633393	COBVNPGQUQPMIE-FHERZECASA-N	237.431	4.515	0	10	BJAE	
O=C(CC1CCCC1)c1cccc2sccc12	1945958514	KLVXACGXKRGCIG-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCCCC1(F)F	1947291194	ANKVGPHXJBQYDZ-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H]1CCCCC12CCC2	1947879283	BLBVBKBKXJCHGW-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C[C@@H](N)C1(C)CCCCCC1)C1CCC1	1949035726	XWKSQKKXGIGQAX-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1([C@@H](N)CC2(C)CCCCC2)CCC1	1949070198	DTNXYKVIQUTLDA-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@H](C)CCC(C)C	1949082079	ZYOIUVYINASLHP-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	1949086936	WIYQLORXJQAWTI-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2csc(C=O)c2)cc1	1950204885	GEOARJOXNGLUEF-LLVKDONJSA-N	244.359	4.741	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CC2(C)CCC2)CC1	1950921099	BRFAFYHJZLKSET-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@@]1(CC(C)C)CCCC(C)(C)CC1	1950921780	JBYBCBPHERLMLZ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@]1(CNCC(C)C)CCCC(C)(C)CC1	1950923832	VXEMZTOCZYHLEY-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC=CC[C@H](C)c1ccc(OC(C)C)cc1	1951288099	GMVCOWZTRNJBSD-ZDUSSCGKSA-N	218.340	4.544	0	10	BJAE	
CCC(=CBr)C1CCC(C)(C)CC1	1954384219	UDARMKYSROLZPU-UHFFFAOYSA-N	245.204	4.892	0	10	BJAE	
CC(C)CC[C@H](C)N1CCC[C@H](C(C)C)CC1	1962920163	AYHDJQJBWRUONM-HOTGVXAUSA-N	239.447	4.569	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@H]2CC(C)C)c1	1968307635	NDWZMVXFNFNBPF-GOEBONIOSA-N	231.383	4.540	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H]2CCCC3(CC3)C2)c1	1968308744	YYSQMQAARUURHR-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
CC(C)[C@@H](C)COc1ccccc1C(C)(C)C	1968366561	JANSZWUJAKNGIO-ZDUSSCGKSA-N	234.383	4.655	0	10	BJAE	
CCCC[C@H](C)NCc1ccccc1C(C)(C)C	1968586312	SXVYOWBMUHKEMV-AWEZNQCLSA-N	247.426	4.652	0	10	BJAE	
Cc1c(F)cccc1NC[C@@H]1CCCC2(CC2)C1	1968648457	OALYADZPSYXXDR-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CCCC(CCC)NC[C@H]1CCCCC1(C)C	1970079298	IMYUXMLCYIDNDX-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2CCC23CCC3)n1	1979522965	OAZKATFLDOPJGC-WDEREUQCSA-N	235.396	4.704	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C)C(C)(C)CC	1986938045	LVQGVWSVURUYSL-KGLIPLIRSA-N	227.436	4.616	0	10	BJAE	
CCCCC(C)(C)NC1CCC(CC)CC1	1987103042	ZEHUBRQGMVCHJQ-UHFFFAOYSA-N	225.420	4.514	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(F)c(Cl)c1	1989823781	JEBHPYXLUMHYIO-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
CCC[C@H](C)CN(C)[C@@H](CC)CCC(C)C	1990818649	XBRVIPOIRYSCDS-GJZGRUSLSA-N	227.436	4.569	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1sccc1C	1995261713	HBNACCYSKQYSHC-WCQYABFASA-N	239.428	4.663	0	10	BJAE	
CC1(c2nc(C3CCCC3)cs2)CCCC1	1995495763	BOAQSBZIMCYIDO-UHFFFAOYSA-N	235.396	4.632	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@](C)(N)C2(C)CCCCC2)C1	1996262954	IATADDYPJPGTHB-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@]1(C)CC=CCC1	1997582918	HDNLOFDRLUOAEK-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](CC[C@H]1CCCC(C)(C)C1)C(C)(C)C	2000164215	WVEPHRYHGPHBOW-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@](C)(CCC)C[C@H]1C=CCCC1	2000511549	CTXCYGMPTGUGHW-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCCCN(C)[C@H](C)[C@@H]1CCCC(C)(C)C1	2002981681	DFSBPACKODHBED-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)[C@H]1CCC[C@H](C)C1	2003013661	IPEBNAKNFXLGDS-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)[C@H]1CC[C@H](C)CC1	2003066919	KOKFYORTMWHRBL-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)CNC[C@H]1CCC(C)(C)C1	2004719719	YFEKXFGBLSKYRY-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC1CC(C[C@H](O)C[C@@H](C)CC(C)(C)C)C1	2007763526	LLOONIKZDIYCOW-XSCHDIRWSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)c1ccsc1C	2007945538	UDYGWXWUYSOSLW-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1CCC(C)(C)CC[C@H]1O	2009420583	PXTZLRSVZSTZDO-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CCC2(C)CC2)CC1	2009540420	LELFJGVCUHQNCC-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@](C)(N)C1CCC(C)(C)CC1	2009576811	JLYUOJYNIYZARF-JFDDCEBESA-N	237.431	4.667	0	10	BJAE	
Cc1ccsc1C(=O)CC1CC(=C2CCC2)C1	2011074782	OBDGDMYIDITLAK-UHFFFAOYSA-N	246.375	4.520	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@]1(C)CCCC(F)(F)C1	2014956090	BLUXLINSUMPKEV-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CCC(C(C)C)C(C)C	2015333703	CUFYPOBEGABTKZ-GOEBONIOSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(CC[C@]1(C)CCC[C@]1(C)O)C(C)C	2015346177	BMLULVYDWGTTGK-HOTGVXAUSA-N	240.431	4.636	0	10	BJAE	
CCCN(CCC(C(C)C)C(C)C)CC(C)C	2015391775	GDNSCAVRNUGZNK-UHFFFAOYSA-N	241.463	4.673	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)C[C@@H](C)C(C)C	2015398423	LPBMJBVUDRQKJG-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CCCC1CCC(C[C@@H](C(C)C)[C@H](C)O)CC1	2017717045	OAVCJJKDAIFCEH-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC(C)(CC)CC)CC1	2017724758	ZGPMSRJULMORQL-SHTZXODSSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2(CC)CC2)CC1	2018921634	AYWTYBBFHHLWJD-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)C[C@@H]1CCC[C@@H](C)C1	2019161364	NAWPJIYCYHIKEH-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
FC(F)c1cccc(N[C@H]2C=CCCCC2)c1	2019504825	DJJWWUHJKDNTEO-LBPRGKRZSA-N	237.293	4.535	0	10	BJAE	
CCCN(C1CCCCC1)[C@@H](C)CCC(C)C	2020537452	NPLQYXBCJUXSIO-HNNXBMFYSA-N	239.447	4.856	0	10	BJAE	
CC=C(CC)[C@@H](NC)[C@@H]1CCCC(C)(C)CC1	2020967515	IJKWSWWDFIPETE-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1C[C@H]1C1CCCCC1	2022418278	VGFNNFHQKRKJDY-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](O)C[C@@H](C)CC(C)(C)C	2022467668	CRDBZQVAQGOCBJ-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C(CC)(CC)CC	2022686298	GBGFUOFADIYPIX-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CN(CC=C1CCC1)C1CCCCCCCC1	2023323453	UZWWDIVLDPQPBF-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCC1CC(CC(=O)CC(C(C)C)C(C)C)C1	2025427935	RPLDPAFLRJXGDS-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC(C)Cc1ccc(C(=O)CCC2(C)CC2)cc1	2027733205	WAPRRAPLJFERMO-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)[C@@]12CCC[C@@H]1C2	2027844198	XQBPNDADOFANHF-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@@H]1CC2CCC1CC2	2028633814	LUKPIOUYSFHYPZ-BACDZXNISA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCC=CCC1)C1CC[C@H]2C[C@@H]2CC1	2028964287	JKZWNLBCDUONPJ-HOTGVXAUSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)C[C@H]1CC=CCC1	2032342600	WGUPJTUDPNJFLW-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@@H]2C=CCCC2)cc1	2035555996	OIKDVVWJMNEMGP-HUUCEWRRSA-N	244.378	4.935	0	10	BJAE	
CC(C)[C@H](c1ccccc1)[C@@H](N)CCC(C)(C)C	2037099501	UMWXQSDLMVWTRD-JKSUJKDBSA-N	247.426	4.580	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)c1ccccc1C1CC1	2037104806	CUPLABBHTKGJSE-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CCCC1CCC(NC2C[C@H]3CCC[C@@H]3C2)CC1	2038621119	DPGCDRQNUMZNRT-LVDPKSTMSA-N	249.442	4.514	0	10	BJAE	
CC1CC(C)(CNc2ccc(C3(C)CC3)cc2)C1	2038885564	NVLHWTVGWBAPHO-UHFFFAOYSA-N	243.394	4.586	0	10	BJAE	
Cc1ccc([C@@H](O)[C@@H]2CCCC(C)(C)CC2)cc1	2039387154	VKAHCVBXFZGTSC-ZBFHGGJFSA-N	246.394	4.635	0	10	BJAE	
CCC1(C[C@@H](N)C2CC3(C2)CC(C)(C)C3)CCC1	2039461754	KACUOZPLJVTQNB-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cccc(C2CCC2)c1	2040723751	NVXAABMFUKQYHN-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
N[C@]1(CC2CCC=CCC2)CCCC2(CCC2)C1	2041291399	YURIIWCFNWGNJZ-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCC[C@H]1CCC[C@H](Nc2ccc(C)cn2)CC1	2041497391	BJEVKFODIUXXDC-GJZGRUSLSA-N	246.398	4.551	0	10	BJAE	
C[C@H](NC1CC2(CCCCC2)C1)C1CC(C)(C)C1	2043546043	YYSIQBXOWREKTR-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CN(C[C@@H]1CCC=CCCC1)[C@H]1CCC(C)(C)C1	2045307581	MBUUNKOFHBKQCN-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(F)c2ccc(N)cc2)C1	2045506873	NLZQAQGVZGBGRV-CZUORRHYSA-N	249.373	4.670	0	10	BJAE	
CCN[C@@H](C[C@H]1CC12CC2)C1(C)CCCCCC1	2045799942	QJKSTCPFTNNNCO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)CN1CC[C@H](C)c2ccccc21	2046578358	BJSVIOOGRYBERY-AWEZNQCLSA-N	245.410	4.682	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@@]2(N)CCCCC23CCCCC3)C1	2047555958	BYCHDLMRVPIQIS-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048446121	GVSPZBFVDLSISI-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](CNC2CC2)(CC2CCC2)C1	2049489079	AOOMMEXEVVRHLW-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](CNC[C@@]2(C)CC=CCC2)C1	2049508062	GDWSAXRGWRFASO-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2CCC[C@H](C)C2)c(F)c1	2049539807	JHZREXNUJXXBFE-YUTCNCBUSA-N	249.373	4.761	0	10	BJAE	
C1CCCCC(N[C@H]2CCC[C@@H]2C2CC2)CCC1	2049681784	PLVBGHVEPYCIEB-SJORKVTESA-N	249.442	4.658	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)C[C@H]1CCCC2(CC2)C1	2049867445	UZSFRYISMOIZQE-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H]1CCCCC12CC2	2059220644	CYLYJKKQXWFLHZ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC=C([C@]2(O)CCC3(CCCC3)C2)CC1	2061087461	GDKPUQNWKIMWRF-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1C1=CC[C@@H](C(C)C)CC1	2061150293	KCXSWXUEFIWMIW-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NCC[C@@]12CCC[C@@H]1C2)C1CCCCCC1	2061572952	UUENVNRWMPCYBR-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CC(=C2CCC2)C1)C1CCCCCC1	2061701506	KUMRFXBKEGGXNG-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CN[C@H](CCC(C)(C)C)CC1CC(=C2CCC2)C1	2061726776	UDKIPXWYSDIJAA-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063517417	TYUMAYBOUXQVJD-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1CC2(C1)CC21CC1	2063998848	DCNJAXDBCKMNNR-HCEZTOJASA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CCCC1CC2(C1)C[C@@H]1CC[C@H](C2)N1	2065413916	YRFPFZXSERFJTI-GJUQIXGGSA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@H](C1CCCC1)C1CC1)C1(C)CCCC1	2067518350	WKFCBBNBDIVGTP-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1C[C@@H]2CC[C@@H]2C1	2068758007	MLOKOJFUSFPBOA-QDMKHBRRSA-N	243.394	4.658	0	10	BJAE	
CNCC1(C[C@@H]2CC23CCC3)CCCCCCC1	2069190837	UQQVFVPBADBRLV-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@@H]3C[C@H]3C[C@@H]2C)CCC1	2069268874	XCFFUVRSDWQMAK-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CN(C)[C@@H]2CCCC23CCC3)CCC1	2069279986	DXJOGPOJWNWEAO-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)C1(CC(C)C)CC1	2069511283	MTYQNIPSEHVMAH-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@](C)(N)c1cccc(C(C)C)c1	2070307947	JGSDTLLNCURKNQ-KRWDZBQOSA-N	245.410	4.730	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)c2ccc(F)cc2)CC1	2072870063	XYLFJRFKNNQLQR-JOCQHMNTSA-N	248.341	4.615	0	10	BJAE	
CCC[C@H]1CC[C@H](Cn2ccnc2C(C)C)CC1	2072872765	GKMBDBTVDXNPQV-SHTZXODSSA-N	248.414	4.613	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2C[C@H]3CCCC[C@H]3C2=O)CC1	2072879372	TZVQOFOESMOBQX-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)NCCCCc1ccccc1	2073291070	WGJFWKQXFOYBTR-QGZVFWFLSA-N	247.426	4.568	0	10	BJAE	
CCC1(C[C@H](O)c2ccccc2C(C)(C)C)CC1	2074618244	DERNWBOEBNBKKA-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCC(CC)CCN(C)Cc1cc(C)cc(C)c1	2074921792	MECXDLQNGKJNTL-UHFFFAOYSA-N	247.426	4.562	0	10	BJAE	
C[C@@H](CCC1CC1)N(C)[C@H]1CCC12CCCCC2	2075007217	UHBPDGAHAKQPIS-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
CN(c1ccccc1)C1CCC(C(C)(C)C)CC1	2075229964	UCFJGJWGAWOXPK-UHFFFAOYSA-N	245.410	4.728	0	10	BJAE	
CNC[C@@]1([C@@H]2C=CCCCC2)CCCC(C)(C)C1	2075373863	SIJBNEPLJNQLJW-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2C[C@@H]2C2CCCCCC2)CCC1	2079784197	AJEOKLBNPROFSN-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CC(C)=C[C@](C)(N)C[C@H]1C[C@H]1C1CCCCCC1	2079820363	QNLJRICZEIOEJR-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C[C@H]1C[C@@H]1C1CCCCC1	2079852513	QXKBXAIUCNMXFZ-VWNJHIHFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)C=CCC(C)(C)C2)C1	2082977750	BEQFVTYQVDKQBR-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@H](CC)O[C@H](C)c1cccc(N)c1	2086294964	IARCZFQUEYIKSM-CJNGLKHVSA-N	249.398	4.705	0	10	BJAE	
C(=Cc1ccccc1)CC1CC2(CCC2)C1	2210661729	DUDZTZSIHNQLRW-UHFFFAOYSA-N	212.336	4.670	0	10	BJAE	
Cc1csc([C@H](N)C2=CCCCCCC2)c1C	2213640184	FZAQVHTTZLWZQN-CQSZACIVSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](NC)C(CC)(CC)CC	2215256758	RXLAONGNXOIBFV-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CC1(C)CC(C)(C)C1	2215395213	WWHLMDBCSQKQQN-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
Cc1sc([C@H](N)C2=CCCCCC2)c(C)c1C	2215537148	KPIPSQNPOFPBFP-CQSZACIVSA-N	249.423	4.564	0	10	BJAE	
CC[C@@H](C)[C@@]1(CNC(C)(C)C)CC=C(C)CC1	2215841081	VRELBVFKJDFWQJ-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCN[C@H]1CCC[C@H](C(C)(C)C)C1	2216252458	KFNLNBOJMOTLTG-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NCC1([C@@H](C)CCC(C)C)CCC1	2217148515	DKNYBDHOMKEMNE-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCC1(CN[C@@H](C)CC)CC(CCC)C1	2217155593	DGAWCIXPEGSOEM-FHERZECASA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(OC[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1	2218328470	UBCKSEKUPDYDOC-ZSHCYNCHSA-N	244.378	4.590	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218342450	BLTUEOUHQBNCPP-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCCCCCC1CC1)[C@@H]1CC12CC2	2218724076	FKARXNUVPVTUNT-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CCCC2(CC2)C1	2218726569	NQZXDKQDZHXIML-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCN[C@H](C)CC(C)(C)C/C=C/c1ccccc1	2219096230	TXJLGLOHHIQHKJ-SAAWKEMMSA-N	245.410	4.504	0	10	BJAE	
CN[C@@H](CC1CCCC1)CC1(C)CC2(CCC2)C1	2221016349	NANJFDWHGWMMSK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)CC2(C)CC3(CCC3)C2)C1	2221036752	BRQPNHSPHQJKMA-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)CC2(C)CC(C)(C)C2)CC1	2221625521	PTQHKQZSNJIXIT-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NC[C@H]2C=CCCC2)C1	2222266110	KQGLMYOMJANPKK-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc2cc(CC=Cc3ccccc3)oc12	2226204517	XFAFCOXCEBRUBY-UHFFFAOYSA-N	248.325	4.997	0	10	BJAE	
CCCCNc1cc(C)c(Cl)cc1Cl	2242385498	LCIBIUKQUSMFGE-UHFFFAOYSA-N	232.154	4.514	0	10	BJAE	
Fc1ccc(Cl)c(CC2=CCCCC2)c1F	2243238150	PPFZKQGMOJSLOH-UHFFFAOYSA-N	242.696	4.661	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1(C)CCCCC1	2244776929	CWCKIWVYGVQWAH-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)C2(C)CCCC2)C1	2246665238	RLKYTJLERAQCNY-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)CCCC(F)F)C1	2246665361	KNZIXSZLRFOGFG-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)[C@@H]1CC12CCC2	2248296893	VPFQWHACMLOSKY-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](O)CCC1CCC1	2248816307	RXAGLGSXIUIBIV-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CCCCC[C@H]1C[C@@H]1C	2248842390	RINGLTQKMCUWTI-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNC(C)(C)C1CC1	2250487738	FBSCBMTZYNANLU-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@]12CCCC[C@@H]1CC2	2251110918	LINFYSFVDUHZCA-CJNGLKHVSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@]12CCC[C@@H]1CC2	2251218316	SZDBUAJVQZUGCN-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@@](N)(CC[C@@H]2CCCCC23CC3)CC1	2253815905	FQSYYGKTVGFDEA-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC1(C)C[C@@H]1[C@](C)(N)CC[C@@H]1CCCCC12CC2	2253844328	QUGPSGCAJAZVBY-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)CCCC[C@@H]1C[C@H]1C)c1ccccc1	2254575682	FELJZFUNQVFFLZ-IJEWVQPXSA-N	244.378	4.576	0	10	BJAE	
Cc1cccc([C@H](N)CCCC[C@@H]2C[C@@H]2C)c1C	2254591219	LUZYBPMJUHIZGU-YSVLISHTSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC1(C)C)[C@@]1(C)C=CCC1	2255017251	WKQKSXAGAVBRST-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC(C)(CC[C@H](N)C[C@@H]1CCCC12CC2)C1CC1	2255233157	IDBGRTPAIPACSO-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@@]23CCC[C@@H]2CC3)CC1	2260612881	QPJUIEQJVRDDMN-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@@]12CCC[C@@H]1CC2	2260673512	SEGVBSFVMIMILD-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](CC2=CCCCC2)[C@@H]1N	2261445077	MONABSUGSGDVSY-GJZGRUSLSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)[C@H](C)CC1CC1	2298859001	STJJFYJRFZIJPY-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CC(CC)CC	2300872580	QSJQVPYYTMKGGE-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCC(C)=CC[C@@H]1CCC[C@H]1CNC(C)(C)C	2300902408	UJBFQUOCHYCVQT-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2301059093	ZRPXMPPTBMJKPY-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@@H](C)[C@@H](C)C(C)C	2301838791	FYBIQAXHDQKILS-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H](C)C1(C)CC1	2301907353	ITHLSPIXVSFBII-NSHDSACASA-N	235.346	4.550	0	10	BJAE	
CC(C)C(CC[C@](C)(N)[C@H](C)C(C)C)C(C)C	2301934594	FXPNBPSSPZIKAW-ZBFHGGJFSA-N	241.463	4.704	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCCC1=CCCCC1	2302347885	WTZMLZJLNOFYPQ-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCCC[C@@H]1C[C@H]1C	2302635588	LAANPYGGWQTILQ-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1CC[C@@H]1C(C)(C)C	2303460860	FAOGNYVMDKWDNK-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@@H]1CC[C@@H]1C(C)(C)C	2303466853	ZTFHZFNLPXEADB-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCCC[C@@H]2N)C1	2304448419	YBOUALZEARPLKP-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)[C@H](C)C1CCCCC1	2307928944	RYDATZHEWVVRRI-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	2308401389	VPZKTSBSDOHEGK-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccccc1O[C@H]1CC[C@@H]2C[C@@H]2C1	2309129541	GZSGBFKNNYREGU-MCIONIFRSA-N	244.378	4.552	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)C[C@@H]1C[C@H]1CC	2310963235	MDGGZBGTWISEEB-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC1([C@](C)(N)C[C@@]23CCCC[C@@H]2C3)CCCCC1	2311148129	RBBYYDQYIBQWSN-OIISXLGYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NC(CC1CC1)CC1CC1	2313592827	FJZVKSPYKYDSOI-QGZVFWFLSA-N	249.442	4.514	0	10	BJAE	
CC(=CCN1CCCC2(CC2)C1)CCCC(C)C	2316518473	JIZCIOGCTIFTAZ-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@H]1C[C@H]2C[C@H]2C1	2316532916	UGSIETLHKWFRNW-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCCCC1	2316880768	ZDHCZBCZKWNCFJ-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1NC[C@@H]1C[C@H]2CCC[C@H]1CC2	2317004771	QKXGGHCHCLMUTD-JYJNAYRXSA-N	243.394	4.623	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H](C)C1(C)CCC1	2317931162	DKOOZRQWIDDDEU-GFCCVEGCSA-N	249.373	4.940	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CC12CCC(CC1)CC2	2318931409	ZUDVCZGWHRURIQ-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](CN2CCC23CCCCCC3)C1	2319120529	DSFGHARBWQPERG-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC[C@H](CCCC(=O)c2ccccc2)C1	2319136455	UOPOAIPPXQZMGX-AWEZNQCLSA-N	244.378	4.866	0	10	BJAE	
CCCC1(NCC[C@H]2CC[C@@H]2C2CC2)CCCC1	2319726838	MNVIQIYVSVLCOH-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1C(=O)CC1CC2(CCC2)C1	2320155907	FZOYDDMXLNRVIF-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1N[C@H]1CCC2(CCCC2)C1	2320174287	DPTWJKPOLZRBBX-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@@]1(C2CC(C)C2)CCC(C)=C(C)C1	2320262139	YCIAQDHOWPNWPR-QWFMPGPPSA-N	249.442	4.539	0	10	BJAE	
CCc1cc(F)cc(NC2CC(C(C)(C)C)C2)c1	2321087370	PZAQCSXORXYVFE-UHFFFAOYSA-N	249.373	4.625	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C2CCC2)c(C(C)C)c1	21039389	AZDRWBQZGCWHBQ-KRWDZBQOSA-N	245.410	4.733	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1CCCCCCC1	35257211	VLGHYWPZBWBZMP-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H](C)CNC1CCC(C(C)(C)CC)CC1	36918338	LRWZBYVSOBLQOI-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CCCC1)c1cc(C)ccc1C	37864817	UEEMJJKZLSLTNS-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCCCOc1ccc([C@H](C)CC)cc1C=O	66153137	QXICIAMVIIDLTP-CYBMUJFWSA-N	248.366	4.582	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(Cl)cc2)C1	70562201	HMIAXVSXRSATPZ-RISCZKNCSA-N	237.774	4.721	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1CCCCC1	71085048	QUSBQPPHLKGWKO-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCCCC[C@@H](C)NCCC1CCCC1	71104212	KJAZPDVXKOOKRI-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCC2CCCC2)CC1	86904605	NLEYSSUQBFMMFA-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CCC)CC(C)C	87522276	NBVTWBACWIIPDB-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H](C)CCC)CC1	87959576	NSCMAFKHKRSGJC-NFOMZHRRSA-N	238.415	4.988	0	10	BJAE	
Cc1ccc(C(C)C)c2cc(C(=O)C(C)C)oc12	88071942	OTOOLEOLOCIIFK-UHFFFAOYSA-N	244.334	4.703	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](CC)c1ccc(C)cc1	88294408	BXEWBHSKADQXFT-LXZKKBNFSA-N	247.426	4.860	0	10	BJAE	
CCC1CCC(C(=O)c2cc(C)cc(F)c2)CC1	93979096	USCJLJVHRCELQI-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)CC2CCCC2)c1C	109786252	GNRILXZQNKJSTJ-INIZCTEOSA-N	246.394	4.534	0	10	BJAE	
CCSc1ccccc1N[C@@H]1CCCC[C@H]1C	109910950	SOYLFKNNXQSAIT-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1ccc(C(C)C)cc1	110218341	MSEZMACOGVAWPZ-HNNXBMFYSA-N	233.399	4.507	0	10	BJAE	
Cc1ccc(C)n1C1CC(C)(C)CC(C)(C)C1	125870020	LNOORBXVFMXRHR-UHFFFAOYSA-N	233.399	4.882	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCC[C@@H]1CNC(C)(C)C	155442081	MSHTYHRCGMNECO-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](CC1CCCCC1)NC	160993291	DVCCKFJLMKZUCP-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)CC2=CCCCC2)CC[C@H]1C	161028731	LFQCLLMLTQLEAG-IPYPFGDCSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C[C@H](C)C(C)(C)C	163336196	DKKWKXUEIPKLTO-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC(C)CNC[C@@](C)(CCC(C)(C)C)C(C)C	164433235	JUDUKCNXDJFKAM-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(CC2CCCCC2)C1	203332438	RQDMEGHBGACEKH-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
FCC1(c2ccc(Cl)cc2)CCCCC1	220501649	VUOGLQYAISXAJW-UHFFFAOYSA-N	226.722	4.511	0	10	BJAE	
CCC[C@H](C)N[C@H]1CCC[C@@H](C(C)(C)C)CC1	226550032	UPPPNYHLTYLVSQ-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](NCCC1=CCCC1)c1ccc(C)cc1	228571698	WWCPEWVWABBWPY-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCC[C@H](CC)Nc1cccc2ccc(C)nc12	233349246	CXHWJUKSTGJEDP-AWEZNQCLSA-N	242.366	4.534	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCC(C)(C)CC)CC1	233395914	CDSJBYQZAWHOCN-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CCC)Nc1ccc(C)cc1	238211124	HZYLQSYFBVBBEN-CQSZACIVSA-N	219.372	4.766	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@H](C)C[C@H]1C	251408976	WSNYFTBECHLWTD-XUWVNRHRSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@H]2CCC[C@H](C)C2)CC1	251862945	SZTPBCOTTHCSOA-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CC(=O)c1ccccc1[C@H](C)C1CCCCC1	259005544	UKJGDCZRUNOODM-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
Cc1csc([C@@H](N)CCCC(C)C)c1Cl	300035591	CDLGDIFZMRTTKY-JTQLQIEISA-N	245.819	4.536	0	10	BJAE	
CCC[C@H](C)[C@@H]1CCCCC[C@H]1CNC(C)C	300461681	GHRHRTMGBJQRIO-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)[C@H](C)CC	300892285	PXEDXRGJENOKQX-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cc(C)c(Cl)s1	300968901	RPZFGZFOSDUSQW-LDYMZIIASA-N	246.803	4.570	0	10	BJAE	
CC(C)NCC1(CCC2CCCCC2)CCC1	302270357	RBUZZWNIYWAENW-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H](C)CC(C)C)NCC	302345867	JNRUPAXOXIZQRT-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC1(CC)CCC1	309373613	QNFOMGMFPASOPH-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCc1ccc([C@@H](C[C@@H](C)CC(C)C)NC)cc1	310576161	BGOJDUYCLZGUGF-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC1(C)C)C1CCCC1	313417025	MQKYKTAOPINGHM-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC(C)C1(CNC(C)(C)C)CCCCCCC1	318721147	SJYYJGALLBASIN-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@]1(CCC(C)C)CC[C@@H](CC)C1	319316745	PYHCBHDZLMKJQE-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H]1C[C@@H](C)Nc2ccccc21	320255382	WWYVWYGEDRIVHO-SFDCQRBFSA-N	231.383	4.657	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC[C@H](C)C2)C1	379759127	CQQXQSBUIIVDKO-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C/C=C/CCNC(C)(C)C)C1	379899807	HFHSBQLPENIERE-MUHKLVGJSA-N	237.431	4.537	0	10	BJAE	
CCNCCC(C)(C)CC1CCC(C)(C)CC1	380155420	JOFARHKJHZNBQJ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C(C2CCC2)C2CCC2)C1	380581219	ATXULHLMIZJSEU-SWLSCSKDSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H]1CCCC[C@@H](CCC2=CCCCC2)C1	384885101	WAXKIEBWDSITCJ-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc([C@@H](N)CC2CCC(C)CC2)c(C)c1	385263064	BBZDYKYLHHAOHX-QOJXUVEWSA-N	245.410	4.520	0	10	BJAE	
CCc1ccc([C@H](C)N[C@H](C)CC(C)(C)C)cc1	395021560	NENDTKLZYVGYHB-KGLIPLIRSA-N	247.426	4.724	0	10	BJAE	
CCc1cc(S)cc2c(C(F)F)csc12	396233856	CVOIOZHGLPBFDA-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1cc2ccc(C(F)(F)F)c(F)c2s1	396293755	GXCGFAMQXODULG-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1cc2cc(C(F)(F)F)cc(C)c2s1	396296089	DIYZUJWPLSNLNP-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCC[C@H](N[C@@H](C)CCC(C)C)[C@H]1CC1(C)C	397713048	VHYKBVUODPIIDM-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@@H](C)C(C)(C)C	399057764	BSLSWNOCITXTPO-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1c(C)cccc1F	401795599	IGQRCFNUUIHJLO-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
CC(C)C1CCC([C@@H](N)C[C@H]2CC=CCC2)CC1	402126058	DFWYEIFQSPCIHU-OTBWCIGPSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@]12CCCC[C@@H]1C2	693285991	BMDNCBZWHOEHOO-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(=O)CC(C)(C)CC(F)F)C(C)(C)C	694655369	INVNWEOFPKXMTK-JTQLQIEISA-N	248.357	4.699	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)c1cccc(C)c1	696596720	ZGTFESFHCQQJEW-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CCC(C)(C)C	697753478	ZDFPRBMWQFVAFK-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC(C)=CCCNc1cccc(C(C)C)c1	697769793	APARWBZCXABSAJ-UHFFFAOYSA-N	217.356	4.578	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H](CC)CC(C)C	697809166	KTZLXYXLEAWLCN-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)C1CCCCC1	704863650	RTEWNBHRHTZQPB-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
NC(CCC1CCCCC1)(C1CCC1)C1CCC1	705333047	DVHHGCKQLDJWOC-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@H]2CCCC23CC3)C1	706955439	GXUMTIZAUUTTCM-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@@H](C)CC(C)C	708315148	SXBVHMXFFCRYSF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC[C@@H](O)c1ccccc1)CC(C)(C)C	709077570	SNDHHEZQFUMQDS-UKRRQHHQSA-N	234.383	4.573	0	10	BJAE	
Cc1ccccc1[C@@H](CO)C[C@H](C)CC(C)(C)C	709107390	YLFSJDIMGVGSER-DZGCQCFKSA-N	248.410	4.533	0	10	BJAE	
C[C@H](N[C@H](C)[C@]12CCCC[C@H]1C2)C1CCCCC1	709157629	WFQZIUINYHDGBN-HDEZJCGLSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	709262363	OGIADNOCUGCIOR-AAVRWANBSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC1CCC(C2CCC2)CC1	710191074	LUNPFSBQMRAYKK-MFNRNEDNSA-N	249.442	4.514	0	10	BJAE	
CC(C)CNC[C@@H](C[C@@H](C)C(C)(C)C)C(C)C	711171987	HMYAZSBSEJHGFY-HUUCEWRRSA-N	241.463	4.577	0	10	BJAE	
CCC(C)(C)CC/C=C/CCNC(C)(C)C	711298927	HHSQKYIUOBMDDH-CMDGGOBGSA-N	225.420	4.537	0	10	BJAE	
CC(C)c1cccc(N[C@H]2C[C@@H]3CCCC[C@@H]32)c1	712406841	FYEWDRKFFAHVEU-XIRDDKMYSA-N	243.394	4.801	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2C[C@H]3CCCC[C@H]32)cc1	712414864	AHROJUKROWHOBP-DJIMGWMZSA-N	243.394	4.801	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1Nc2ccccc2C[C@H]1C	713142692	WCCJPJQWJMRJKZ-CZUORRHYSA-N	245.410	4.732	0	10	BJAE	
CCCOc1ccc(NCC(C)(C)C(C)C)cc1	713184484	YHXLXFWBJBKWMV-UHFFFAOYSA-N	249.398	4.570	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCC[C@H](C(C)C)CC1	713242285	IHBKSGBQIFAOCG-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
C/C=C/C[C@@H](C)c1ccc(OCCC)cc1	714559980	FNZSZPSJWUGQJR-DIECRNLCSA-N	218.340	4.545	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@H](C)CCC	718604924	WSRAQOVUGQCQBZ-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CC[C@H]2CCC[C@H]21	722074356	HUJXQICPYWWKGQ-FRFSOERESA-N	243.394	4.801	0	10	BJAE	
Cc1ccc(C)n1[C@@H](C1CCCCC1)C1CC1	723849330	SZLLNFHLYIHPLK-INIZCTEOSA-N	231.383	4.636	0	10	BJAE	
Clc1ccccc1CCSC1CCCC1	1307252610	HVZOYHUXNNPCKX-UHFFFAOYSA-N	240.799	4.558	0	10	BJAE	
CC[C@H](CC=C(C)CCCC(C)C)[C@H](C)O	1900837386	BLRAIVVNRUUNLO-LSDHHAIUSA-N	226.404	4.556	0	10	BJAE	
CCC(C)=CCC(=O)CC1CCCCCC1	1900851597	ZMJHKVRPQZHTNC-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)C(C)(C)C(C)(C)C	1901700910	IFJMIQUTWVPVAA-NEPJUHHUSA-N	226.404	4.556	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1CCCC[C@H]1N	1902113635	SGTHRKJNIUSYKT-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
Cc1sccc1OCC1CCC(C)(C)CC1	1904943148	SIASRHMMQHXYMO-UHFFFAOYSA-N	238.396	4.652	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](O)C1(C)CCCCCCC1	1907072191	HCVQLWGMDCCNSB-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@H]1C[C@H]1C(C)(C)C	1910815658	KEYYOMRJWSQTGL-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CC1(C)C([C@@]2(N)CCC3(CCCCC3)C2)C1(C)C	1915925133	REEJGOSPUJKTFB-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@]1([C@H]2CCCC[C@H]2C)C=CCCC1	1916568095	HDGXCOYOMURCCL-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC[C@H]1CC1(C)C)NC	1921568030	PJDBFCIDGMIRMF-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@@H]1CCCC12CCC2	1921613502	PFEWTFCJCMSLPY-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(CN)C1CCCC1	1924093448	QHYMPSURUFHBIU-CJNGLKHVSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)C[C@H](C)CCC	1925120738	VAOBAYZMBBHJDV-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
Fc1ccc(CC[C@H]2C=CCCCC2)c(F)c1	1925824900	QCVJDRGGQIMGHO-LBPRGKRZSA-N	236.305	4.644	0	10	BJAE	
CCCCCC[C@H](C)NCCC(CC)CC	1926143756	HALGLWPFMRNCIE-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)CCCC(C)(C)C	1940242238	ARGYNWDHDAXAGB-INIZCTEOSA-N	242.447	4.882	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1ccc2sccc2c1	1941248187	LSWAHMYHWSADIB-HIFRSBDPSA-N	248.391	4.617	0	10	BJAE	
CCC[C@H](C(=O)CCC(C)(C)C1CC1)C(C)C	1941268572	HODZFVJMBUTYKR-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C(C)C)[C@H](C)CCC(C)C	1942652447	HMQBFTVAMYKWKG-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)CCNc1ccccc1C1(C)CC1	1944598588	PXWIQKVEYYZAFA-ZDUSSCGKSA-N	231.383	4.586	0	10	BJAE	
CC1(CCN[C@@H]2CCCC2(C)C)CCCCC1	1945431841	HDSKBHUYGHGNCB-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
O[C@@H](CCCC1CC1)c1cccc2sccc12	1945957437	HSHOAIOCZBEBNC-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1cccc2sccc12	1945970231	MBVILSGIIKZRKP-ZDUSSCGKSA-N	247.407	4.727	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)CCC1CCCCC1	1947517170	YTLRBBSMSKKILU-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC1(O)CCCCCCCCC1	1947877780	ATSGBJRASQDMDJ-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
O=C1CCCCCCC[C@H]1CC=C(Cl)Cl	1960997654	PUYIMLQZCOXGSX-JTQLQIEISA-N	249.181	4.625	0	10	BJAE	
C[C@@]1(CC2CC=CC2)CCCCC1(F)F	1962089393	ZQTPKGPSESVAOL-LBPRGKRZSA-N	214.299	4.558	0	10	BJAE	
CCC(CC)N(CC)CC1C[C@H](C)C[C@@H](C)C1	1964142961	XBHQRBREJBKBAB-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
Cc1cc(C)cc(NC2CC3(C2)CC(C)(C)C3)c1	1968307270	HDEZZMOZXFRCBX-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CCC(CC)N(C)Cc1cccc(C(C)(C)C)c1	1968782482	PDXVESQTYAZQRY-UHFFFAOYSA-N	247.426	4.605	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCCC2(CCC2)C1	1969176449	HKVZGGPQDKTLQH-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC(C)(CN[C@@H]2CCCC23CCCC3)C1	1973670807	QORPBIGGSCSWFG-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(C(=O)C(CC)(CC)CC)s1	1978450839	XCPMSLMNHWAZKP-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CCCC[C@H]1CCCCCC[C@@H]1NCCC	1980342026	OJYBGHGEGILCBH-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
C/C=C/CCCC(=O)c1ccc(C)cc1Cl	1984589970	WGZDLSLECKWSCZ-ONEGZZNKSA-N	236.742	4.578	0	10	BJAE	
CCC[C@](O)(CC)C[C@H]1CC[C@H](CC)CC1	1989772483	PEMYMOSPJSYSKP-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCC1CCC1	1995204142	NYUAFLLPTJJHBZ-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H]1C=CCC1	1995215575	WUPGBLUHSNYVFU-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCCc1coc2ccc([C@H](C)CC)cc12	1995443990	GEUBWIHKLRANHR-LLVKDONJSA-N	216.324	4.899	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](N)C2(C)CCCCCC2)C1	1996229318	PMGDMIURQDFRPU-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@](C)(O)C1CCC(C)(C)CC1	1996553623	QFYHZUNASCSGHZ-WOSRLPQWSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC(C)(C)CC)CC1	1997116336	JYRJGSAYLIKALC-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(C)CCN[C@]1(C)CCCCC1(C)C	1997421705	JFNYFURMADLMFB-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)CCC1CCC1	1998035989	CANZHIMVCJKCRB-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)[C@H]1CCCC(C)(C)C1	2000036647	BGOMVDJJQRWIFK-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCCN([C@@H](C)CC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2000900826	RMMHVUDHPSCGJA-XUWVNRHRSA-N	239.447	4.712	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1[C@H]2CCCCC[C@H]21	2002155287	MULZWBHGMKZLCY-AGGWBTHJSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1(C)CC1)NCCC	2002507320	MXGURZNCIBRRIG-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Fc1cccc(NC2CCCCCCCC2)c1	2003099296	KRQPXFWTNRSUOS-UHFFFAOYSA-N	235.346	4.741	0	10	BJAE	
CCN[C@@H]1CCCCCCC[C@@H]1C[C@@H](C)CC	2003118101	QJWBAQDMLDASKY-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H]1CCCCC(F)(F)C1	2003177536	YCDMCZLMQOZUJS-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CC(C)=CCC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	2004192852	AYFWLSZGWKVRCZ-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC(C)=CC[C@@H](N)C1CCC(C(C)(C)C)CC1	2004232170	DLUMCLYSIANBKF-YMAMQOFZSA-N	237.431	4.523	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@@H]1C)C(CC)(CC)CC	2006753750	FRKXEOBCVCICBT-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H]1CCCC(C)(C)C1	2007857756	VTLHJGWSGIYIPI-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@H]1CCC[C@@H](CC)CC1	2007861575	OYCLNRZPVYHKQY-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)c1cc(C)cs1	2007937046	KNQOLRFAXDHVJJ-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)CC[C@@H]1CC(C)(C)C	2009420687	QMQKSJWPOYKTLO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCC[C@H]1CCOc2ccccc21	2009589979	QPFFRWCCXASDPB-AWEZNQCLSA-N	230.351	4.689	0	10	BJAE	
CCCCCC[C@@H](NCC)C1=CC[C@H](C)CC1	2010621744	CJFBZAWRKMCFPQ-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(C(=O)CC[C@@]23CCC[C@H]2C3)c(C)s1	2011015728	IRKAPXPUNLWNSE-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
CCN[C@H](CC=C(C)C)C1(C(C)(C)C)CCC1	2017137611	ZGJZPJYZVCGPDA-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CCC(C)C)CC1(C(C)(C)C)CCC1	2017139850	ZZWPCHRJZZDNAS-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H](CC2(O)CCCCCCC2)CC1	2017652075	BLCDQCJMUVFKIV-SHTZXODSSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(C)CC[C@H](N)C2)CC1	2017732443	BAYNYEFUFUYUPQ-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@H](C)[C@H]1C	2018138703	JKQSQLWVJBGVPI-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CC(C)c1ccc2[nH]c([C@@H]3CC3(C)C)cc2c1	2024290468	RHHTZLJXWLEENB-ZDUSSCGKSA-N	227.351	4.805	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N(C)CCCC(C)(C)C)C1	2025615099	RSSURJHZCVZGHX-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1(CF)CCC1	2026060202	LELNJPHIHDCARW-ZDUSSCGKSA-N	242.378	4.692	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC1CC(C)(C)C1	2026170224	OEKRPRBGMYGJQV-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](O)Cc1ccccc1C(C)C	2027442456	LKDNZQKICSZYKJ-INIZCTEOSA-N	248.410	4.540	0	10	BJAE	
Cc1ccc(C(C)C)c2oc(CC(C)C)c(O)c12	2028130596	MDHHXIAMAAUXGK-UHFFFAOYSA-N	246.350	4.769	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1cccc(C2(C)CC2)c1	2028557182	LNJZRBBPEPESOB-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CC[C@](N)(c1ccc(C2CCC2)cc1)C(C)(C)C	2028611158	KCSJOXRDDYWJPB-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC(C)CC[C@@H](C)C[C@H]1CCc2ccccc2N1	2029820640	LQUNTMOYWKEOMH-GDBMZVCRSA-N	245.410	4.876	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@H](NC1CCCCCC1)C2	2036667605	SQIHOMIUEYVMHO-USXIJHARSA-N	249.442	4.658	0	10	BJAE	
CCCC1CCC([C@@H](N)CC2CC3(CC3)C2)CC1	2036725117	QHSDIWWQDAEHOM-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
CCC/C=C/CN[C@@H](CC)c1ccc(CC)cc1	2036764019	ZYFRKIHKUPZBIZ-IJDCCNJMSA-N	245.410	4.646	0	10	BJAE	
CCCN[C@H](CCC)Cc1cccc(C(C)C)c1	2036955088	JZLYROBOPNLUBI-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CC(C)=C(C)CCC1(N)C[C@H]2CCCCC[C@@H]2C1	2037170527	NHUJUUVOXODBCE-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CCC1CCC(N)([C@@H]2CCC3(CCCC3)C2)CC1	2037590802	ZDUAYLDNTGXTDS-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1CC1)[C@H]1CCC2(CCCC2)C1	2037594375	RTZCXARRJBYIEY-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)[C@H]1CCC2(CCCC2)C1	2037679726	UABJIRAVBXGSPY-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCCC1CCC1)CC1CC2(CCC2)C1	2037982263	LKFYAZNGOIFMRN-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@H]1CCCC1(C)C)C2	2038933763	OQLCZIVPOPWBIK-LETWWHAPSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](NC[C@H]1CCCC(C)(C)CC1)c1ccoc1	2039374354	GULQKBDDSYOPFD-KGLIPLIRSA-N	249.398	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CCCC[C@@H]1CC	2045799438	MBFVYAUAGGDJBX-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](C)(CCC=Cc1ccccc1)CNC	2046003189	VVWKZWRSMATHPL-KRWDZBQOSA-N	245.410	4.506	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)C2CC3(CCCCC3)C2)C1	2046322959	RCYKWZLDSQUGLJ-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)C[C@@H]1CC12CCCCC2	2047057523	BHYNSCSPPOHMSB-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@@H]1C=CCCCC1)[C@H]1CCCC(C)(C)C1	2049532474	LCFTVSBGKWWXLS-HRCADAONSA-N	249.442	4.680	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@]1(C)C=CCCC1	2049999008	AOLHZNLESQLTKI-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@@H]2CCCC(C)(C)C2)cc1	2050427857	CQNDSAKIBWOODE-HOCLYGCPSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H](O)c2ccc(C)cc2)C1	2050439805	CYHHJMYJMSJNNG-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
Cc1ccc(C(F)F)c(C(F)(F)F)c1Cl	2054893683	JMXOEDUTZXBVLG-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CCN[C@H]1C[C@@H](C[C@@H]2CC=CCC2)C[C@@H](CC)C1	2055040508	WHLJHYKJKZJHMD-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@@H](NCC(C)(C)C2CCCC2)CCC1	2055550236	RXHCGFMUHPZIPX-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@@H](NC[C@H](C)C2CCCCC2)CCC1	2055551820	JIFCUKPCOSKCBK-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@@](N)(C[C@@H](C)C2CCCCC2)CCC1	2055606474	CQVOAGPPRIDXJE-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)CC2=CCCCC2)C1	2058829652	MDWUIKGYBHZIOU-CQSZACIVSA-N	249.442	4.824	0	10	BJAE	
C/C=C/CCC[C@H](C)[C@@H](NCC)c1ccccc1	2059255015	DOYZADAKYUQFFI-BWTRYIQHSA-N	245.410	4.720	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CCCC[C@@H]1C	2060922890	VBYKRMPISQGGBY-XJNFMUPTSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)C1(C(C)C)CCC1	2061149386	CKEPXHKYAQUTIZ-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](NCC[C@@]12CCC[C@@H]1C2)C1CCCCC1	2061573540	YOWPAYUJFJUCGF-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CC2CC3(C2)CC(C)(C)C3)C1	2063204933	VPVRNKZHWUCDOZ-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1OCC1C[C@H]2CCC[C@@H]2C1	2063531638	NJKVFSZLGUYMKO-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2C[C@H]3CCC[C@@H]3C2)C1	2063534386	AGDDYTNSWYYMAJ-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(C[C@H]2C[C@@H](N)CC3(CCC3)C2)CC1	2063641453	NOEASVUZWTULBF-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1C[C@@H]2CC[C@H]2C1)CC1CCCCC1	2068772037	TXOHMWDCTIZFRS-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1ccccc1C1CCC1	2068986534	JSUUPGNFNUQJSH-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@H]2CC23CCCC3)CCC1	2069336013	VDPWMLHWQGXCST-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)c1ccccc1C(C)C	2070392617	KFMUZMZGTHORAJ-QGZVFWFLSA-N	246.394	4.764	0	10	BJAE	
C[C@H](NCC1(C)CCC(C)(C)CC1)C1CC=CC1	2070793459	FUODCPLBXKTHNY-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CC)C1=CCCCCC1	2071513243	ZEMIROFHKAFYHH-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)C2CC3(CCC3)C2)CCC1	2071918498	DAYDYUNTYQSXMZ-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1cccc(C)c1C	2072416686	IOMKLXLGJQNIFK-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@H]2CC3CCC2CC3)CC1	2072878797	PVALTIONNWQGFM-LWQJKRBBSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N(C)[C@H]1C=CCCCCC1	2074811548	WDGGJWLZWRFNAJ-ULQDDVLXSA-N	249.442	4.632	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CC[C@H]1C1CCCCC1	2074898855	GKTKZPIQKJTTQD-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
Cc1cccc(F)c1C(=O)[C@@H]1CCCC(C)(C)C1	2075982619	GZZCNEQJFXTFBM-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC1(CCC(=O)C[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079867451	WKTGLXJXRBVASE-GDBMZVCRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2CCCC23CC3)C1	2082979733	PXQZOQWIEVRIEL-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C[C@@]2(N)C=CCCC2)CC(C)(C)C1	2082982000	HYTQNKBVJPQQGI-QGZVFWFLSA-N	249.442	4.667	0	10	BJAE	
CCC(C)(C)[C@@H](N)CC1CC2(C1)CC1(CCC1)C2	2083613920	SAAYIJOXKDWGOU-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@](N)(C[C@@H]2CC23CCCCC3)C1(C)C	2084338446	KAWMWVOPGABFBQ-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2[C@H]3CC[C@@H]2C[C@H](CC)C3)C1	2084510392	IJGRXFPFRCYXQD-UHDSXZAQSA-N	249.442	4.608	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCCC1CC1	2211115306	XEHVALBAYJUYIW-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](O)CCC[C@H]1C[C@H]2CCC[C@@H](C1)C2	2213297490	ARGWTCJPEDYKGY-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CC(CC3CC3)C2)CC1	2218479456	CCQMNUHDWBQOBH-AKBUMOGYSA-N	249.442	4.514	0	10	BJAE	
C(CCCC1CC1)CCNC1(C2CCCC2)CC1	2218725246	JCXHYUVTUVVILR-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)(C)C1)c1ccoc1	2221017713	WBGQDHJRNVRQKJ-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CCC1(C[C@@H](NC)[C@]2(C)CC=C(C)CC2)CCC1	2221621461	DQJZJJWEXXYHSS-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(C(=O)[C@]2(C)CC=C(C)CC2)c1	2221642405	FDJMLMPZWBXTDW-QGZVFWFLSA-N	242.362	4.568	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@H]1CC12CCC2	2223122024	UBRZXCRVUZKAFP-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1cccc2ccoc12	2224181889	SANRRJBVURLMSY-CQSZACIVSA-N	245.366	4.649	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1CCC[C@@H](C)C1	2244785263	XKEBCAKNDIAMCG-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)C1CCC1	2244839285	YLUYJGVGQVPWKK-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)[C@@](C)(O)CC[C@H]1CCCCC12CC2	2246635634	XTEIHEXAKCZMKY-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(=O)CCCC[C@@H]1C[C@@H]1C)C(C)C	2247166812	VLTBSVKUVYOUOM-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CCC1(C)C)CC(C)C	2247436069	WLJZULWJHRDBTA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(=O)c1ccc(SC2CCCCC2)cc1C	2248966018	XNSNLTFPDRUSPX-UHFFFAOYSA-N	248.391	4.622	0	10	BJAE	
N[C@@H](c1ccc(C2CCC2)s1)C1CCCCC1	2250295398	WCBIFVJTIJILSG-OAHLLOKOSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1CCC(C)(C)CC1	2250367841	QVJMKSREDVNYGJ-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@H](O)CC[C@@H](C)CCCC(C)C	2250478006	DKFAVFLCQUZFAU-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CC1CC(CCC(=O)C[C@H]2CCC[C@@H](C)C2)C1	2251761740	UWPFGPWDKHSUSL-JLVJUDLZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H](C)C(F)(F)F)cc1	2253062156	WYYIYULCESOSDN-UWVGGRQHSA-N	246.272	4.530	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@@H]1CCCCC12CC2	2253830806	GGKPCAFLHRZLET-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1CC[C@@H]1CCCCC12CC2	2253881282	ORTGORMHQLPQOL-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC[C@@H]1CCC[C@@H](C)C1)c1ccc(N)cc1	2253967238	FTWGJOZEUADDLR-ILXRZTDVSA-N	245.410	4.979	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1CC[C@@H]1CCCC12CC2	2255266962	NTMDYTVMQDLIHD-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc2[nH]c([C@@H]3CC34CCC4)cc2c1	2256462787	CQMMTVQSPNQENO-AWEZNQCLSA-N	239.362	4.949	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@@]12CCCC[C@H]1C2	2257246630	GRTJDAJXFZRPFW-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@@H](N)C1CC2(CCC2)C1	2257280186	FKPFURAFWXCOJI-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CC1(CCCOc2cccc3c2CCCC3)CC1	2257479762	LXQDNZRTOFRQEJ-UHFFFAOYSA-N	244.378	4.525	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H](C)C[C@H]2C)cc(C)c1C	2258233988	STQXOHWJUKMYKU-JDSLSITLSA-N	245.410	4.848	0	10	BJAE	
CC1CC2(C1)CC(C(=O)C[C@@H]1C=CCCCC1)C2	2259460058	JQFUFURJDZDVDO-NUHCZIBGSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](CC1(C)CC1)C[C@@]12CCCC[C@@H]1CC2	2260577679	HDNZZMSNQSASMQ-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@@]12CCCC[C@H]1CC2	2260584485	VMRLKLKFAPFDFO-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@@]12CCCC[C@@H]1CC2	2260644587	BUXPTZGOGBDYBK-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@]23CCCC[C@@H]2CC3)C1	2260656355	FUPITFSFZXUYQL-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)CC1CC(CC2(N)CCC=CCC2)C1	2261296618	UEJWBNCWFUILCV-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
Fc1ccc2c(c1)[C@H](CCC1CCCC1)CCN2	2261337327	GFTJGVNNGVVOEH-CYBMUJFWSA-N	247.357	4.695	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC[C@@H]1C[C@@H]1CC	2298127777	IWDVMOXGPPMQLT-QXSJWSMHSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@H](N)C(CC1CC1)CC1CC1	2298862375	SUPGSHSGKCDAJA-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@@H](C)CC1CCC1	2298921837	YACFEQGEYXJEOP-NUEKZKHPSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H](C)CC1CCC1	2298927941	XOWQIBRZTIGIBT-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC1(CC(=O)[C@@](C)(CC)C(F)F)CCC1	2299827342	BNZDWSGZZAEOJZ-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC[C@@H]1C[C@@H]1C	2300457453	CKRZSVCCSFMXBV-DZGCQCFKSA-N	231.383	4.576	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CCCCC1(C)C	2300676366	NSTTWZHZXJFJTJ-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]1[C@@H](C)CCC[C@@H]1CCC(CC)CC	2300682202	WSGTUYHTDZKFKH-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](O)C1CCC2(CC1)CC2	2300689750	AXRJYLOYPSANDZ-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)=CCNC[C@H]1CCC[C@@H](CC)CC1	2300868251	WPJXSBADIDWLKD-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC(C)=CCCc1ccc2ccccc2n1	2300930288	YDKREEGABVJRRD-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@H](C)[C@H](C)C(C)C	2301960669	DGJMBHHRDHNHHT-IIAWOOMASA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)[C@H](C)C1(C)CCCC1	2301977518	HANGOLFIZMVQQY-SOUVJXGZSA-N	239.447	4.568	0	10	BJAE	
C[C@H]1[C@@H](Nc2cccc3ccsc23)CC1(C)C	2302083358	OTTJNXHLABJULS-GWCFXTLKSA-N	245.391	4.748	0	10	BJAE	
CC[C@H](C)C[C@@H](CCCC1=CCCCC1)NC	2302360482	BBCSFMGKRYGVGE-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC[C@@]1(C)CCCCN1	2302542210	IUXCXMUUWXMYFX-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CC[C@@H]1C(C)(C)C	2303445686	SNWNXATYTCAYQY-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C[C@H](O)CC[C@@H]1C[C@H]1CC)C(C)(C)C	2303568105	OEJJQRLEAUCJMM-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCC(C)=C(C)C1)NCC	2303577223	HHYLTAQWXQUVNV-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCC(C)=C(C)C1)C(C)(C)C	2303583071	JMQGSJJFBFFPBD-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CCCC[C@H]1CCC(C)(C)C1)NC	2304446664	ISXKZLLRSVXYAD-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc(C2CCC3(CC2)CC3)n1	2307692784	ISCTUZXXXJKTPR-PWSUYJOCSA-N	247.407	4.704	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H](CC(C)C)C(C)C	2307905778	ZGADMNQSFHHCIG-XHSDSOJGSA-N	241.463	4.848	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CC(C)=C[C@@H](C)C1	2307908606	QFZGWOVCCDVWIU-OEAJRASXSA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CN)C1CCCCCC1	2307929441	ZDRVUBZHFMMQHH-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](NCCC[C@@H]1C[C@H]1C)c1ccccc1	2310418337	WWZXBGVSZHRJKN-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H](N[C@@H]1C[C@H]1C1CCCCCC1)C1CC1	2311539226	XOEUJFUSGCBXNG-GVDBMIGSSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCC1)Oc1ccc(C(C)(C)C)cc1	2313663338	AWHPTQXXXHZMMK-CYBMUJFWSA-N	246.394	4.942	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1ccc2ccccc2c1	2316500897	DJQRZRZSRQEVQA-QGZVFWFLSA-N	240.346	4.620	0	10	BJAE	
Cc1cn(C[C@H]2C[C@H]3CCC[C@H]2CC3)c(C)c1C	2316928346	WHIUSSAHZPOQIP-YESZJQIVSA-N	245.410	4.630	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@H](C)CC1CC1	2317962057	JIPWSMCDESWTJE-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1[C@@H]1CC(C)(C)[C@@H]1C	2318246746	CITDJTQNDGXKJF-ZNEHSRBWSA-N	243.394	4.514	0	10	BJAE	
C[C@@H]1C[C@H]([C@@H]2CC(C)(C)[C@@H]2C)c2ccccc2N1	2318270241	KVNGOWKPWSTKOZ-RJZRQDKASA-N	243.394	4.657	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1Cn1ccc2ccccc21	2320324912	OJBGDRQGXULHRO-CABCVRRESA-N	241.378	4.714	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC(C)=C(C)C2)CCC1(C)C	2320328489	PUQTZRMEEAWFJX-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)C[C@@H](C)C1CC1	2320400372	YRGUVIYPTJRJIB-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(CCN[C@H](CC2CC2)C2CC2)CC1	2320524020	UAVUQKMAKPJTGE-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)CC23CCCCC3)C1	2321608404	ORVKJPQSDQPCJY-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1CC2(C1)CC(N)(CC[C@H]1CCC(C)(C)C1)C2	2321633134	JLYWJYAQSTYWEC-FBZFNHGYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cc(C)ccc1C(C)C	2327702345	XIFZIBUCXHEYSX-YOEHRIQHSA-N	247.426	4.945	0	10	BJAE	
CC[C@@H](C)c1ccc(NCc2cccs2)cc1	35023437	XRUZNLHUAIPQLC-GFCCVEGCSA-N	245.391	4.874	0	10	BJAE	
CCCC[C@H](NCCC(C)C)c1ccccc1	37199842	BPDJKYDZCQQCRX-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCC)c1ccoc1	70414432	UEMIKHOIMROXDP-UKRRQHHQSA-N	237.387	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cccc(Cl)c2)C1	70562194	FYMXAIAMOJIHMF-AAEUAGOBSA-N	237.774	4.721	0	10	BJAE	
C1CCCC(N[C@H]2CCC[C@H](C3CC3)C2)CCC1	81623668	KQZXLFDTNFGLOC-RDJZCZTQSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1CCCCC1	82434237	LNIYOPFGCGAGLS-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@H](C)C[C@@H]1C	85112131	WSNYFTBECHLWTD-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CCC(C)CC2)CC1	86893778	XTDKGWSPEVYBPG-PYBGIAKNSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](O)c1cc2cccc([C@H](C)CC)c2o1	88072409	HNFZRVGMKFNXOY-BXUZGUMPSA-N	246.350	4.780	0	10	BJAE	
CCC[C@H](CC)Nc1nc2c(C)cccc2s1	91945850	CGMWIGXFYKOIDN-NSHDSACASA-N	248.395	4.595	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)C(CC)(CC)c1ccccc1	103943253	WVGNZRJMQROXNH-GDBMZVCRSA-N	248.410	4.542	0	10	BJAE	
CC/C=C\C[C@@H](C)c1ccc(Cl)s1	107596048	QESGQQBSXAQEPO-XRVBUDJMSA-N	214.761	4.861	0	10	BJAE	
CCC1CCC(Nc2cccc(F)c2C)CC1	109939414	VMJWWLWBHIBXOD-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
Cc1cc(N[C@H](C)C2CCCCC2)ccc1F	109957104	CQZOHSXOPDEOBK-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CCC(CC)[C@@H](C)NCc1ccc(C(C)C)cc1	111664017	FHXYTRUXWMKUNV-CQSZACIVSA-N	247.426	4.724	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](O)C1CCCC1	127389133	VHZBJEHGGLOMLA-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
c1ccc2c(c1)CC[C@@H](c1cc3ccccc3o1)N2	129020015	TXAAVNDWNLGZKP-HNNXBMFYSA-N	249.313	4.532	0	10	BJAE	
CC[C@@H](C)[C@H](C)NC1CCC2(CCCC2)CC1	129349942	BALAKHICBRXCTN-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@H](C)CCC	133443160	VBKAJKUDVNTFLY-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CCCc1cccc([C@H](O)CC2CCCCC2)c1	157874287	RFSAWWUASBWZKL-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](O)C2CCCCCCC2)C1	158926105	FAEGAZUDXIYZDN-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](CCCC(C)C)C1	166178381	YXDPBVLIVMVVSN-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(C)c1OCCC1CCCCC1	168734168	AVBHMOSPQOUTBZ-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1ccccc1Cl	168885825	GDIOXBYOQFZCEV-SMDDNHRTSA-N	240.774	4.590	0	10	BJAE	
Cc1ccc([C@@H](N)C2=CCCCCC2)cc1Cl	203414937	BIENMHMRBXLSKD-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CCc1ccc([C@H](C)N[C@H](C)C[C@H](C)CC)cc1	228140370	WYGFXKWROQNHSS-KFWWJZLASA-N	247.426	4.724	0	10	BJAE	
CCN[C@@H](c1cc2ccccc2s1)[C@H](C)CC	228813211	JTSBNHHIKDBPJT-IAQYHMDHSA-N	247.407	4.598	0	10	BJAE	
CCCCCC[C@]1(O)CCC[C@H](CC(C)C)C1	230784126	LGYFZPAEMYLHJD-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CCCCCCc1c[nH]c2c(F)cc(F)cc12	232942988	PTCCJBQHHQIAPX-UHFFFAOYSA-N	237.293	4.569	0	10	BJAE	
CCCCC[C@](C)(O)C1=CCCCCCC1	232946328	BNUCLTZQGAURJR-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](NCC(C)(C)CC)c1ccccc1	233294712	RNXONQVZKNPMEF-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H]1CNc2c(F)cccc21	235397972	PRUWOBCEBYNCEH-BXUZGUMPSA-N	247.357	4.551	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@H]1C[C@@H](C)CCC	251350346	QKXCINBMYCIOTE-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NC[C@@H]1C[C@H]1C)c1ccccc1	252970629	XHRHNGAINITPQN-PVAVHDDUSA-N	245.410	4.554	0	10	BJAE	
CC[C@H](NCCCC(C)(C)C)C1CCCCC1	302260924	FBZASAZZARHGMV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@@H](C)CC(C)C)CC1	302374881	OYBISABDLULOOH-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cccc2ccccc12	302490911	ZYGWHMRRORSXGU-SUMWQHHRSA-N	241.378	4.666	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](O)CCC1CCCC1	305905371	CNLJSYZHLUHNSQ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC[C@H](O)CCC1CCCCC1	305920604	LYUZGCJSRSSJPU-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](CCC2CCCC2)C1	305949482	MTUUVDNDOUPRMU-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
Cc1sc2c(C(F)F)cccc2c1Cl	307448698	MFQFYJSMVBURQC-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CC1CCCCC1	308068712	ZPKXFPLZYCKBME-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCC2(C)CCCC2)C1	310120761	DNRPPDMXJHQQCW-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](Nc1ccccc1C(C)C)C1CC1	310207368	FFFGTKYBJYEOBI-OAHLLOKOSA-N	231.383	4.801	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)C)CCC[C@@H](C)C1	317011168	AACPZJXURYWUOM-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
Cc1ccccc1N[C@@H](CCC(C)C)C1CC1	380172082	XAOKZXIWQJTVQW-INIZCTEOSA-N	231.383	4.622	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCCC(C)(C)C)CC1	382666496	HKZRIAPLFWSCMM-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)c1cc(C)cs1	383052652	AWMXRWZNFNFNAW-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)CC(C)(C)C)c(C)c1	384899712	NEBWYUWZGWXIRY-AWEZNQCLSA-N	233.399	4.848	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)C1CCCCC1	393849545	UXJBGKOPBBXHAQ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)Nc1cccc2ccsc12	395316008	IWMVFIAMPVNWGI-UHFFFAOYSA-N	219.353	4.502	0	10	BJAE	
COc1csc2c(C(F)F)cc(Cl)cc12	396292603	PBLDWWWFDOIKSK-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCC[C@H](Nc1cc(F)ccc1C)[C@H]1CC1(C)C	397736251	GUPGXVAWVVCMSP-KGLIPLIRSA-N	249.373	4.761	0	10	BJAE	
CCCCCCC(=O)c1csc(C)c1C	399942917	VDSNBWVYHCCELD-UHFFFAOYSA-N	224.369	4.518	0	10	BJAE	
CCC1CCC(Nc2ccc(C3CC3)cc2)CC1	690102203	IENFHNRDYMQNHO-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(O)CCCCC[C@H]2C)C1	691190843	XDYKHLNZFCODLZ-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
Clc1cccc(CCC2CC=CC2)c1Cl	692102427	MHDKYDIKGADABJ-UHFFFAOYSA-N	241.161	4.892	0	10	BJAE	
Cc1c(Cl)cccc1NC1CCC2(CC1)CC2	696010913	RJZVTLHVBKXSGA-UHFFFAOYSA-N	249.785	4.783	0	10	BJAE	
CC(C)=CCC[C@]1(O)CCC[C@H](CC(C)C)C1	697598045	HTQUGHRCWHFRRZ-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC(C)=CCC[C@@]1(O)CCCCC12CCCC2	697599574	VIELHGLBSWGTES-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@]1(O)CCCCC[C@H]1C(C)C	697630382	QJKOXZVASJUKIU-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3CCC[C@H]32)CC1	707841960	HKNUULDJUAWPPS-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@@H](C)CC(C)(C)C	708295335	BLJFFBLTSXTSKF-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)C)C[C@@H](CC)C(C)(C)C	711075228	VHUGLWPGUHPVLQ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CC(=O)Cc1cccc(C)c1)C(C)(C)C	711145132	IHBWNYVRHICVAH-OAHLLOKOSA-N	246.394	4.569	0	10	BJAE	
CCC(C)(C)CC(O)(CC(C)C)CC(C)C	713145926	PCTZXKGNCWBAQR-UHFFFAOYSA-N	228.420	4.636	0	10	BJAE	
CCC[C@](N)(CC(C)(C)C(C)C)C1CCCC1	713175582	NVJMWZKEQNWTGD-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C[C@@H](N)CC(C)(C)CC)C(C)(C)C	713235787	UHGHHBIJMJKQRG-CHWSQXEVSA-N	227.436	4.602	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)c1csc(C)c1C	713702698	PBVMJNJGSLPWKS-LZNQSLFOSA-N	249.423	4.538	0	10	BJAE	
C=C/C=C\CCNc1ccc(Cl)c(Cl)c1	713717012	DVLYTLFUSRIBSV-ARJAWSKDSA-N	242.149	4.538	0	10	BJAE	
CC(C)=C(C)CCNCCCC1CCCCC1	718535251	ZNKKYIGXSVHSGC-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
COc1cc(N[C@@H](C)CCC(C)(C)C)ccc1C	821908673	DTNBNUOCOYXJTJ-ZDUSSCGKSA-N	249.398	4.630	0	10	BJAE	
Cc1ccccc1N(C)C[C@H](C)CC(C)(C)C	1643928100	MPTMVAQDXUWRHL-CYBMUJFWSA-N	233.399	4.504	0	10	BJAE	
CCC[C@H](C)CCNC[C@@H]1CCC[C@H](CC)C1	1656860615	AYIFWNLVODEFGH-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C[C@@H]2CCC[C@@H]21	1660193574	IIIYTVLVGZGDLL-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCCc1ccc(Cl)cc1Cl	1885373361	MOTOXHYOKSGOQS-NSCUHMNNSA-N	229.150	4.892	0	10	BJAE	
CC(F)(F)CCCCC[C@@H]1C=CCC1	1901372142	QDKIPZCZXDKGNO-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
Cc1c(Cl)cccc1O[C@@H](C)[C@H](C)C(C)C	1901621382	ZWQMBNPOCQEQHQ-PWSUYJOCSA-N	240.774	4.708	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1(CCC)CCC1	1905445517	QKUITHDTGWBHSS-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1NC1CCC(CC)(CC)CC1	1910690622	RGFZTTDZJHTANT-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC=CC[C@H](C)c1cc(C)c(C)cc1F	1911843492	SQDNQHQFVQEKBY-JTQLQIEISA-N	206.304	4.512	0	10	BJAE	
CCCCCCC1(CN)CC2(CCCCC2)C1	1912551473	QGECNAGTLBKFRE-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CCC(C)(C)C[C@@H](O)[C@@H](c1ccccc1)C(C)C	1921305924	RQEFNNBFJZYIRF-HZPDHXFCSA-N	248.410	4.613	0	10	BJAE	
CC(C)(C(=O)CC[C@@H]1CC1(C)C)C1CCCC1	1921429715	RBULFJJINVEIEC-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@]1(N)CCCCCC1(C)C	1921538208	FPXGOJAORYAKCX-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](C)(CNCC(C)C)C1CCCC1	1924084738	YGASKLLVJQXTKK-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCC(=O)[C@H](C)C1CCCCC1	1924091343	ACAUAKFGXHOLAB-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)CCC1(C)CC1	1940789842	GWAHOAZLEICVFL-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC[C@H]1CC1(C)C	1940855691	INYFMOCBEQPJSU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC[C@H]1CC1(C)C	1940856436	OEPAMJKEMXSPAZ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)CCC1CCC1	1941460119	VPDORGANRJTHBU-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CSc1ccc(NCCCCCC2CC2)cc1	1941572494	BBYHDAZRHNWMBX-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CCC1(C)CC([C@H](CCCC(C)(C)C)NC)C1	1948410891	ITRBIUJXAMWFNX-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1CC(C)=C[C@H](C)C1	1949008507	CTKZLMUSIDYAJS-CFVMTHIKSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@](N)(CC)CC1CCCCC1	1949018831	KYNQLYTWLGYGBH-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C2CC(C)(C)C2)CC1	1949156407	WEOXEHWGZIXGSM-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@H](CC)C1)C(C)C	1949835168	RVJKEQPEKNOSLH-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)CC2CCCC2)C[C@H]1C	1949861353	FBMYBTANFFWGCH-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](Nc1cccc(C2(C)CC2)c1)C1CCC1	1967831887	FNCBESZDMUNWCC-INIZCTEOSA-N	243.394	4.729	0	10	BJAE	
CC1(C)CC[C@H](Nc2ccc(C3(C)CC3)cc2)C1	1967851374	XADBPZWDNIFKRI-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
CCc1ccc(NCC2C[C@H](C)C[C@@H](C)C2)cc1	1968313448	CXFUGUNKECRDIB-ZIAGYGMSSA-N	245.410	4.733	0	10	BJAE	
CCc1ccc(NC2C[C@H]3CCCC[C@@H]3C2)cc1	1968314050	OHIGSEOIRYNTPT-HUUCEWRRSA-N	243.394	4.630	0	10	BJAE	
CSc1ccccc1N[C@@H]1CC[C@@H]1CC(C)C	1968328278	JQKYWWYQOUTROO-CHWSQXEVSA-N	249.423	4.645	0	10	BJAE	
CCc1cccc(OCC[C@H]2CCC[C@H](C)C2)c1	1968357096	CCJBQWZQYCXAHM-GOEBONIOSA-N	246.394	4.844	0	10	BJAE	
c1ccc(C2CC2)c(NCCC2CCCC2)c1	1969417369	YUZNVFCMVQFCQJ-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCCC(CCC)Nc1ccc(CCF)cc1	1970093278	NXCQBYOYWOIZIL-UHFFFAOYSA-N	237.362	4.579	0	10	BJAE	
CC(C)CCC[C@@H](N)c1csc(C(F)F)c1	1978581389	YBKOVEWRRCWUNR-SNVBAGLBSA-N	247.354	4.512	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)[C@@H](C)CCC	1978647895	BPYLTSCRWMIPBP-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](Nc1ccsc1)[C@@H]1CCCC(C)(C)C1	1980287796	XFSNPYODNRAMRW-VXGBXAGGSA-N	237.412	4.765	0	10	BJAE	
CCC(C)(C)C[C@H]1CCC(C)(C)CCC1=O	1984463351	ZDEDRIJITBSSKH-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC1(C[C@H](O)C(C)(CC)CC)CCC1	1988456582	CWZBMJDCDCCHGQ-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCC1CCC(CC[C@@H](N)CCC)CC1	1989813754	GFEAUKWLAWJZCS-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CCN(C)CCC(C)(C)CC	1990874502	BOSWJYHNAQVOLC-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CCC(C)(C)CC(=O)CCCCC(F)(F)F	1993601386	UADLCTQWPQDKLL-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@H](C)C1=O	1993969380	MHNXYLBAJADHSM-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCCc1cccc(C(C)(C)C)c1	1994229097	XYCJYOOALOSIGA-UHFFFAOYSA-N	216.368	4.883	0	10	BJAE	
c1cc([C@@H]2CCCN2C2CCCCCC2)cs1	1995666437	DXRBAFFPEDNBAP-HNNXBMFYSA-N	249.423	4.608	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)C12CCC(CC1)C2	1995988616	PIUSLCUQWLHATL-WXLSXGNJSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@@H](C)C1(C)CCCCC1	1995991354	ORPMPCXBWVMQIG-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](NCC=C(C)C)C1CCC(C)(C)CC1	1996595614	XJQCCFUGRFQBTG-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CN(C)C1CC(C)(C)C(C)(C)C1	1997767606	IEEBHCXDKITANU-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@@H](C=CCCNC(C)(C)C)C1	2000144519	XQWAVWCUBXJMHK-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CC=CCC1	2000192967	DBDHYIRJLBZMCK-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
CN[C@@H](CCCC(C)C)CCC[C@@H]1CC1(C)C	2000253796	MLFICRQNJKQLKO-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@@H](C)C1CC1	2000515060	PNHVUVPGJKHUKI-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@](C)(CCCC1CCC1)CNC(C)C	2000524245	WXLFEYCDHJPPIL-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(=O)CCC[C@]1(C)CCCCC1(F)F	2002580877	UQRTVRCQYMXIRH-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)[C@@H]1CCCC(C)(C)C1	2003024018	ZNTWRBLGLWDARV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@H]2CC[C@H](C)CC2)C1	2003068709	MYXVMOHYZIFCLG-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@H]1C=CCCC1	2003069929	FWULENPZBIURQW-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](NC1CCCCCCCC1)[C@H]1C[C@@H]1C	2003101806	VTYPFOFPWVPPCA-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C=CCC1)c1cccs1	2003678773	GBJWZJMBYSSJFY-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
CC=C(C)[C@@H](NCCC)C1CCC(C)(C)CC1	2007865009	XSXWBDUSCNPXNV-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@H](C)C(C)C	2007938045	UCLNFPLISMURSV-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CCC2(C)CC2)CC1	2009540421	LELFJGVCUHQNCC-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H](CCC2(C)CC2)c2ccccc2N1	2009549243	SPYKPXKBXXPHJD-OLZOCXBDSA-N	229.367	4.555	0	10	BJAE	
CC=CCCC[C@](C)(CCCC)CNCCC	2009618559	CYBAREDDSDEGRG-INIZCTEOSA-N	239.447	4.929	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1(CC)CCC1	2009619854	PAFBJRIJCLUQGG-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C)CC1)C(C)(C)CC	2010628195	ZHLJFLZNTPLEAJ-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCc1cccc(-c2cscc2C(C)=O)c1	2013663909	ZZABSZQOFJYPRZ-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)C1(C)CCCC1	2014338721	JIGXMUVZJICYRJ-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CC(C)(C)C[C@@]1(CNC(C)(C)C)CCC1(C)C	2014845777	IJROGGYZQNKHOS-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@@H](N)C[C@@H](C)C(C)C)CC1	2015271914	OOUXEIMWNXFOQM-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)c1ccc2sccc2c1	2015278389	NQZIUAQYFXQIAR-RISCZKNCSA-N	248.391	4.617	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CC12CCC2)NCCC	2015511663	FUMYFKYRKYOWSK-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC(C)C)CC1(CCC)CCC1	2015642218	NXTSOWZBUVKEHL-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CCC1)C1(C)CC1	2015643027	XNVLDPYEINTKEO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)C1(C[C@H](N)CC2CCCCC2)CCC1	2017147364	CCCISQFSURWILP-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCC(NCC(F)=C(C)C)CC1	2017461140	GBANSWCWKIIEBA-UHFFFAOYSA-N	241.394	4.588	0	10	BJAE	
CCCC1([C@H](O)C[C@H]2CC[C@H](C)CC2)CCC1	2017650500	HWQLNCOYMZICNQ-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@H](N)CCC2(C)CC2)CC1	2017728689	ODJNYHGGPMLARS-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCCC[C@@H](N)C2)CC1	2017731725	VAOCOIVFCVGRDQ-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](O)(CC)CC[C@]12CCC[C@@H]1C2	2018128477	AWPCBGRISVPNMO-OWCLPIDISA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC12CCCC2	2018141157	LGIJIXLZQNLEMH-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
Cc1cc(C(=O)C[C@]23CCCC[C@H]2C3)sc1C	2018619725	PUSIDRACJJGJQA-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CC[C@H](CC)CC2)CC1	2018957929	SNAOJMBMPFFUSH-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC=CCCC1)C(C)(C)C	2019852143	IKQVLBGDQOEHJI-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC(C)(C)[C@@H]1N	2020358786	LOXOCWXFTJKHOE-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CC=C(CC)[C@@]1(N)CCC[C@H](C(C)(C)C)CC1	2020908159	QJIRQXCNFQAEDC-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCC1(F)CCC1	2025240659	OQURGFKPYRBJMA-AWEZNQCLSA-N	243.410	4.559	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1ccc(C2CC2)cc1	2028590349	IXKLLLAOCFIHFO-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CC1(C)C[C@@]1(CCCCCC1CC1)CNC1CC1	2028627159	AMOFJHRIOUELGN-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CN(CCCCCC1CC1)[C@H]1CCC12CCCC2	2028646843	XVBKLJWBTXSOHI-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@H]2CCCC[C@@H]21	2028760842	XIAYXXYZEKSYKZ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](c1ccc(C)cc1C)[C@@H](C)CCC(C)C	2029824943	OGGWMFRZDKZSDI-YOEHRIQHSA-N	247.426	4.636	0	10	BJAE	
CCC1(CNC[C@@]23CCCC[C@H]2CCC3)CCC1	2031806202	WJRICECGNKHHQB-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](c1ccco1)C(C)(C)C1CCCC1	2032346140	KDENIWKEPTYRLO-OAHLLOKOSA-N	249.398	4.537	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)CC1[C@H]2CCC[C@H]12	2032826538	XZHHWHBIUUFUSL-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCN[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1	2033068518	LRYHMSMQTSBGEO-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1C[C@H]2CC[C@H](C1)C2	2033100314	KKIMBLDAEUEZLN-RZLSGREXSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCC1)C1CCCCCC1	2035600581	MIDNNJRMVDCXES-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@H]1CC[C@@H](CC)C1	2035603907	XOVHIEXIJQZRLO-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CC12CCCC2	2036092832	DKZXBUPYXIQQJV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@@]1(C2CCCCC2)CC12CCCC2	2036098186	RKBIBGBHMPQOOQ-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1	2036320308	LPFRAOVPBCIIJR-VHDGCEQUSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H](N)c2ccccc2C2CC2)CCCC1	2037103202	LYQBHIZYUIJMTM-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@H]1C=CCCCC1	2037273142	MZXCOHFGMDERQO-GVDBMIGSSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@@H](C=C1CCC2(CCNC2)CC1)CC	2038435011	NOTZTUWUIWTWNX-MYJWUSKBSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1CCC2(CC2)C1	2038572447	QBTAZRSNMBBBJK-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)[C@@H]1CC12CCCCC2	2039056558	YBOKSZVKRRBHBK-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc(NC[C@H]2CC23CCCCC3)c1	2039057688	HDFYUKSPJDCESZ-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H]1CCC[C@H](C)CC1	2039363895	SOXCFNHHSUVXQV-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1C[C@@]1(N)CCCC2(CCCCC2)C1	2040764468	COZVEWJXTWGDOA-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H]([C@@H]1CC[C@H](C)C1)[C@]1(C)CC=CCC1	2042025499	VVPXRRLZHUKTDU-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(N[C@H]2CCC23CCCCC3)C1	2043028836	YCDYSHKNQSMCOM-NRXISQOPSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H](N[C@H](C)CC2=CCCCC2)[C@H]1C	2043194926	QDDLSYDOPBTGQI-QSJFSLAZSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)C[C@@H]2CCC=CCCC2)C1	2045331133	CCALPKKQPFNMDJ-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](c1cocc1C)C1(C)CCCCCC1	2045805617	LYNNJVAPXYFVOW-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCCc1ccc(NCC2(F)CCCC2)cc1	2047239572	ZAHZPXZIRAHMHW-UHFFFAOYSA-N	249.373	4.723	0	10	BJAE	
C1CCCC(CNC[C@H]2CCC23CCC3)CCC1	2047957073	WGOFPKXJUBCHGH-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2[C@@H]3CCCCC[C@@H]23)C1	2048368595	AYZUQUPSPRZJFH-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(C[C@@H]2CCC3(CC3)C2)C1	2049849715	SKSSESLYOCCVGZ-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC2CCC3(CC2)CC3)C1	2049931196	XPFITADXHOZFAL-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@@H]1CCCCC12CC2	2053347012	RQLCVFKGBCFVNG-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](NC2CC3(CCCCCC3)C2)CCC1	2055551849	JPWHDKPLYQJJSJ-OAHLLOKOSA-N	247.426	4.578	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H]2C=CCC[C@H]2C)CC1	2055562603	DSFUYDNKPDKHTI-NCOADZHNSA-N	249.442	4.536	0	10	BJAE	
CCCC1([C@H](C=C2CCCCC2)NCC)CCC1	2056876000	MGPANENYSCCWKT-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@]1(C)C=CCC1	2056876723	SYYHPWGJKLJPQP-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
C/C=C/CCC[C@](C)(N)c1c(C)cc(C)cc1C	2059202684	BMNJUHNHZJABFX-LXXRFIIISA-N	245.410	4.532	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@]2(C(C)(C)C)CCCN2)CC1	2061090171	YRRKTQYRMYHMIO-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H]1C[C@@H](NCC)CC2(CCC2)C1	2063629352	ZDBDZGIORDXYIO-KADIJHKTSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CNC1CC1)CC12CCC(CC1)CC2	2065327835	NYKUHGKAEISZGK-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@]2(N)C[C@@H]3CCCC[C@@H]3C2)CCC1	2069341292	DDSATHJLHLIZKI-QLPKVWCKSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)c1cccc(F)c1	2070408845	QVPAAKAWURRDKH-KGLIPLIRSA-N	249.373	4.611	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CC(C)=C[C@@H](C)C1	2072422569	CZWLVIZJCKWOQQ-XOKHGSTOSA-N	249.442	4.703	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@H]3CC[C@@H]32)CC1	2072801763	QQBZQDDIHXUHII-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(C(=O)C[C@H]2CC[C@H](C)CC2)cc1	2072876026	VJHAHDKUCVQUGD-CTYIDZIISA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CCNC3(CCCC3)C2)C1	2074138856	NAVAERRAGWENGB-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1(CC)CC1)c1cccc(C)c1	2074629483	PGSGCZNLXDRIHW-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@]23CCCC[C@H]2C3)CC1	2074647593	ZCBALMZILJWGJY-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CC(C)NCC1([C@H]2C=CCCCC2)CCCCC1	2075363759	SNRWDMLSJLLNLS-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@](C)(C[C@@H]2CCC3(CCCC3)C2)CN1	2078854783	BUPCMRFBLJXIIN-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(C2CCCCCC2)CCC[C@@H]2CCCC[C@H]21	2081133856	SMMJHPHZFMYRJG-UAGQMJEPSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C=C2CC[C@@H](CN)C2)CC(C)(C)C1	2082985022	GAUBCXNVILLVPI-CQSZACIVSA-N	249.442	4.524	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1cccc(C(C)(C)C)c1	2083545169	HDVCMTAMLHWEAW-DOMZBBRYSA-N	244.378	4.603	0	10	BJAE	
CCCC1(C[C@@H]2CCCNC23CCCCC3)CC1	2083809493	TUWWDRAXCBJSCB-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCCC(C)(C)NCCCCCCC1CC1	2210526316	CPBABCMJBMHCDG-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](C)[C@](C)(O)CCCCCCC1CC1	2210526827	JSJYSHHHENRIFN-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CCCCC1CC1	2214572567	FHCSSDOLSJYFDZ-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)C1(C)CCCCCC1	2215257473	WBYNNMVFLGHSKX-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CC1(C)CC(C)(C)C1	2215394050	PUNNRYJHLHPZLK-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@](N)(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218355867	HEEZKACWSMFWAR-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCNCCC=C(C)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218367211	QKLPXKVGNXXMEJ-FVQHAEBGSA-N	249.442	4.539	0	10	BJAE	
CCCC1CC([C@@H](N)CC2(C)CC3(CCC3)C2)C1	2221016798	RAXHDOWFRBVTJY-NRXISQOPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)CC1(C)CC2(CCC2)C1	2221032158	JMETWLFGPRNRIS-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@]1(C)CC=C(C)CC1	2221615016	XLFZOIHXUNLAEQ-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CC1=CC[C@@](C)(CNCCC2=CCCCC2)CC1	2221639802	GDCSZTQBGUGASR-QGZVFWFLSA-N	247.426	4.603	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CC[C@H](C)C[C@@H]2C)CC1	2221645403	XUADPHWPYNBNOW-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CNC[C@@]1(CCC2CCCCC2)CC=C(C)CC1	2221667125	SEDSYBRQACIOQW-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCC1=CCC[C@@]1(N)CCCCCCCC1CC1	2223128421	XTZVZKIBWGMHJB-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CC[C@H](C)C2)CC=CCC1	2223591955	DQWCLAOOSBLMAB-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)C(C)(CC)CC	2244780022	FRVSFFJTTOYTGZ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C(=O)CCCC[C@H]1C[C@H]1C	2244784609	VAYVZEJXDPDOIF-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CC=C[C@@](C)(N)CC[C@@H](C)CCCC(C)C	2244848206	YURUQDHXUQOPRS-LSDHHAIUSA-N	225.420	4.523	0	10	BJAE	
CCC(C)(C)[C@@H](N)CC[C@@H]1CCCCC12CC2	2246631704	UWSVRMLCLCIGSK-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC[C@@H]1CCC[C@H](C)C1)CNC(C)C	2246663807	GQOHESMWPNLOAE-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCC(O)(CCC)CC1CC2(CCCC2)C1	2246776552	NKWWVOVCGOCOJT-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@](C)(N)c1cc(C)c2sccc2c1	2248579482	VMCMTBKFYVNYRH-HNNXBMFYSA-N	247.407	4.574	0	10	BJAE	
CCC[C@H](CC)[C@H](N)[C@H]1CCC2(CCCC2)C1	2250355401	AXICJKNGCYZFAS-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)C1CC=CC1	2250468265	BQXLCGPANGDTRX-GOEBONIOSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@]1(CN)C=CCC1	2250496205	PSFGVVWXQQJMPM-HZPDHXFCSA-N	237.431	4.524	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)[C@H](C)C1CC1	2250531464	YCNNXVBXANTSSX-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](CCCCCF)C1=O	2251711121	GQXCTIRJRNXGBJ-GFCCVEGCSA-N	242.378	4.548	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1ccc2ccsc2c1	2253052712	AEOMHYJFBYABEO-IAQYHMDHSA-N	247.407	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@]1(N)CCCCC12CCC2	2254603712	DBZNDORDZSHZOE-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC[C@H]2CCCC23CC3)[C@H](C)C1	2255224837	JTIRMBNRVREZFW-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CC(N)(CC[C@H]2CCCC23CC3)C1	2255244746	JQVMBHICHDUCFU-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CCC1(CNCC[C@H]2CCCC23CC3)CCCC1	2255277697	HBKDGHBRSXRPHE-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CCCCC[C@H]1C[C@@H]1C)C1CC=CC1	2257304325	AVUVYTSKIHWQEA-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2ccc(F)c(N)c2)cc1	2259110444	VEARHJBUVQSUFR-LLVKDONJSA-N	243.325	4.588	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccc(C2(C)CC2)cc1	2259436466	GUOZPNQQKYVTMA-BBRMVZONSA-N	245.410	4.564	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)c1ccccc1CC	2259450754	AOENVULXHXYPEJ-NVXWUHKLSA-N	247.426	4.726	0	10	BJAE	
CC[C@](N)(C[C@]12CCCC[C@H]1CC2)[C@@H]1CC1(C)C	2260659770	ZALHDUHSEQHZMG-ABFRBSLYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(C[C@]2(N)C=CCCCC2)C1	2261260492	MUYGEYHPWNXVOZ-DQPZFDDXSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)CCC1CC(C)C1	2261498477	XUMGBEYLRCTLHY-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@H]1C[C@H]1CC	2300685121	BDSHDAUHLOMQTI-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](CC=C(C)CC)NCC	2300873679	BPAKWSPKWZFXEF-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCCC(CCC)N[C@H]1C[C@H]2CCC[C@H]1CC2	2301140909	TUBCFEDJVHJATP-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
CN(c1ccc(Cl)cc1)[C@H]1C=CCCCCC1	2301343272	JAYDVOSNEGCVIX-AWEZNQCLSA-N	249.785	4.665	0	10	BJAE	
CCC(CC)c1ncccc1[C@@H](F)C(F)(F)F	2302230230	DXDVFURLWVUITQ-LLVKDONJSA-N	249.251	4.558	0	10	BJAE	
Fc1cc(F)cc(CCCC2=CCCCC2)c1	2302347028	NOMWFFKGWHJWIO-UHFFFAOYSA-N	236.305	4.788	0	10	BJAE	
CCC1(C(=O)CCCC2=CCCCC2)CCC1	2302349840	VDUAGCWGGFOZTO-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@H]2CCC[C@H]2N)CC1	2302504279	OYHOBOMIQCMBRA-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@H]1CCC(C)=C(C)C1	2303597966	WYUNIMGXMXPFIJ-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CC(C)c1cccc(NC[C@H](C)C(C)C)c1F	2307559403	NOQDCKCCIMXEET-LBPRGKRZSA-N	237.362	4.653	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1	2308127639	ZWDGFIQNTCJCMY-LCGIIJARSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H]1CCC[C@@H]2C[C@H]12	2310191544	GVALMKBJFWVQPH-QOIQYRQASA-N	249.442	4.537	0	10	BJAE	
CC1(CN[C@H]2CC[C@@]3(C)C[C@@H]23)CCCCCCC1	2310555975	XPLPYFAEANIKKD-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)CCC[C@@H]3CC[C@@H]32)CCC1	2310986025	HSPDXPOTYNKCRA-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC[C@@H]2C[C@H]12)C(C)=C(C)C	2311007574	VMBKTEPYVOOCOZ-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C[C@@H]2C[C@H]2C2CC2)C1	2311892239	FAJJFEZAZYHDGJ-BJJXKVORSA-N	248.410	4.598	0	10	BJAE	
C(CCNC(CC1CC1)CC1CC1)CCC1CC1	2313579747	FFAGBNLZNURUMN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CC1)[C@@]1(N)CCCCC12CCCCC2	2313600459	QURPCZRMHGSPOH-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)C[C@@H](C)c1ccccc1	2317836110	SUJJTFMBKNCHDJ-RBSFLKMASA-N	246.394	4.678	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@H]1NCCCC1=CCCCC1	2318531409	KPKVWKXREQAISN-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](N)CCCC2=CCCCC2)C1	2318543669	RHFABXLUYFXMRU-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
C[C@]1([C@@H](N)CCCC2=CCCCC2)CC=CCC1	2318570363	XMRXJOXVPQSYKB-IRXDYDNUSA-N	247.426	4.731	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1CCC[C@@H]1CCCCC12CC2	2319000868	OXJBRGNEOWPWOX-OWCLPIDISA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)C2(CC3CC3)CCC2)C1	2319035776	ZMZHZOOKFQLIDL-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2C[C@H](N)CC3(CCC3)C2)C1	2319125904	IVPCFPADEWBAJL-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cccnc1C(C)C	2319476495	MPKVSOLCZCICAX-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
Cc1coc(C)c1C(=O)C[C@@H]1CC[C@@H]1C(C)(C)C	2320234242	FKFXTJMLOBEWQO-STQMWFEESA-N	248.366	4.542	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2C[C@H](N)CC(C)(C)C2)CC1	2320333400	GJUKMRQOHUUEBW-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(N)CC23CCCCC3)CC1	2320412380	OEHIJPDAKJWFGM-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1cccc2ccoc12	2328205896	HAPSRBDILXERAP-SWLSCSKDSA-N	246.350	4.683	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C)cc1	37032029	NBMXUTSYLAHBBI-ZOBUZTSGSA-N	245.410	4.614	0	10	BJAE	
CC(C)[C@@H](C)N[C@H](CC(C)(C)C)c1ccccc1	37128563	YBLNEWKNJFAUMU-GDBMZVCRSA-N	247.426	4.798	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(C(F)(F)F)cc1	37199205	TYUIRZJSYOHSKG-SNVBAGLBSA-N	245.288	4.696	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2ccc(C)c(F)c2)C1	71154588	IFLXQTYRWVVRSZ-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1ccc(C(C)(C)C)cc1	75792334	GFLLQXOXKFUBEA-HNNXBMFYSA-N	247.426	4.810	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCC(C)(C)C1	79976925	FWHCMLRPPWXKIJ-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NC1CCCCCCC1	83863513	FBVQBSGHMVWXNK-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CCC(C)(C)C)CC1	86941275	ZLIVONMQBYIJOL-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@H](CNCC)c1ccccc1C	93104478	JQPYAMSOIHYMJD-GOEBONIOSA-N	247.426	4.514	0	10	BJAE	
CCC[C@H](O)c1ccc(C(C)C)cc1C(C)C	109787946	ZIUQBQJHQHNVAS-INIZCTEOSA-N	234.383	4.767	0	10	BJAE	
CCCCC[C@@H](NCCC)c1cccc(C)c1	112892178	AHBJNSFJHHLPQX-MRXNPFEDSA-N	233.399	4.616	0	10	BJAE	
CCCC[C@@H](N[C@@H](C)C1CCC1)c1ccccc1	137717512	QWMMLMPFIKCXKD-WMLDXEAASA-N	245.410	4.696	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC(C)(C)C[C@H]2C)c1	155832935	FEQZGOPOGHYHJC-HUUCEWRRSA-N	245.410	4.930	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C)CC[C@@H]1CNCC	155941487	KZBXHOMZCWJHHZ-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cccc(C)c1	160139823	YLLFMNIPIBGBGI-BFYDXBDKSA-N	245.410	4.614	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cnccc1Cl	166674726	HNDTVDNJQPPUKH-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CCCC[C@H](CC)C/C(C)=C\CCNC(C)C	211870723	CVZVLPFZFNEQSA-IZNAZMGOSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCC1CC1)NCCC	229550985	QFHKTBAWTQZCEQ-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(CN[C@@H](CC)C[C@@H](C)CC)cc1	233976664	ZPVIPCBKGFKGKN-YOEHRIQHSA-N	247.426	4.553	0	10	BJAE	
CC(C)c1ccc2c(c1O)[C@@H](C)CC[C@H]2C	238215383	FDEBBEJQTDJECQ-MNOVXSKESA-N	218.340	4.516	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)c1sccc1C	300887556	HBIAFWKHZARXDK-WCQYABFASA-N	239.428	4.533	0	10	BJAE	
CCCc1ccc(C(=O)C(C(C)C)C(C)C)cc1	302508541	BOGKHLPRZFYWCV-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CC(C)C[C@H](C)n1ccc2cccc(Cl)c21	304505545	NSHULLPCPRKURG-NSHDSACASA-N	235.758	4.902	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(CCCC(C)(C)C)C1	305931912	PAUNEZTXSJFWFV-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CSc1c(Cl)sc2cc(C)ccc12	306870224	STKZXFCKCWLHPQ-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CSc1cc(Cl)c2ccsc2c1C	307064542	RWBRXULITUNSBO-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Cc1ccccc1OCC1CCC(C)(C)CC1	310283173	WTYCTQUUVYGWFB-UHFFFAOYSA-N	232.367	4.590	0	10	BJAE	
c1ccc(N[C@H]2CCCCC23CCCC3)cc1	310301490	UMNDSVDTRDMRQA-HNNXBMFYSA-N	229.367	4.602	0	10	BJAE	
C[C@H](C[C@H](N)CCC(C)(C)C)C1CCCCC1	310340931	NZBWLRDSPSUETK-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H]1C[C@@H](C(C)(C)C)CCC1=O	319526497	BNOGSYYJVJJOLH-XDQVBPFNSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@H](C)[C@@H](C)CC	319648651	FCEXPNXOVLTUJM-XUWVNRHRSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)[C@@H](O)CCCC/C=C\c1ccccc1	324081351	ZFJVDMZKGBOKQU-UBAGTECSSA-N	246.394	4.667	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCC2CCCCC2)C1	383123757	CTJVVUMCIDYXBL-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C[C@@H](C)CC[C@@H]1C	383161666	JAXMHFSDYUBWDF-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)C(CC)CC	383523030	OIKNYLXSDUJPKD-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2CCC[C@@H](C)C2)c1	383694604	RFNRLSKAWBUWAT-DOMZBBRYSA-N	232.367	4.509	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C(C)(C)C(C)(C)C	383877836	QXUMSICHVFAMRZ-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CCC1CCC(N)(CC2CCC(C)CC2)CC1	383893943	MLZGUDSOKYYAGR-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CCC[C@@H](C)C1	386454091	DJORHIDIMFTQRO-ZIAGYGMSSA-N	244.378	4.819	0	10	BJAE	
Cc1cc(C)cc(OC[C@H](C)C2CCCCC2)c1	386539952	RACYSBJEJDTISH-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
CC[C@H](N[C@H](C)C1CCCCC1)C1CCCC1	387550628	TXWMKWJLTSHXOB-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)CCNCCCCCCC(C)C	394468118	ZIXCMFWLYYNPQL-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCN[C@@H](CCCCCC(C)C)C1CCC1	394760372	LNJMVLFWAJISHG-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCCCCC(C)C)C(C)(C)C	394769857	SVMCKHYLNXEGPZ-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCC12CCC2	394777007	ORRDAVLPMMDJHX-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCc1cc2c(C(F)(F)F)c(F)ccc2s1	396307890	ZYHJIUADYAHGSP-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1cc(N[C@@H](CC)[C@@H]2CC2(C)C)ccc1C	397650449	IPNTVHJVXLQHKI-HOTGVXAUSA-N	245.410	4.794	0	10	BJAE	
C[C@@H](Nc1cccc2ccsc12)[C@@H]1CC1(C)C	397861393	YGMHIZWJCRRKPM-PWSUYJOCSA-N	245.391	4.748	0	10	BJAE	
C[C@@H](C[C@H]1C[C@@H](C)c2ccccc2N1)C1CCC1	398680029	XKZKANRYOVNBIB-GUTXKFCHSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@H](C)C(C)(C)C	399336686	XXEVWCXYUUHFRQ-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCCC1([C@H](O)CCCCCC(C)C)CCC1	686921439	JSMNAZZHBAQBSM-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CN[C@H](CCCC1CCC1)C[C@@H](C)C(C)(C)C	688370332	UNJJEAWJTJRYQY-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C1CCC(CCCNC2CCC3(CC2)CC3)CC1	695683265	NHCMWRRJBSXRJV-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
Cc1cc(Cl)ccc1NC1CCC2(CC1)CC2	696008463	BPLZEVKGJPXERY-UHFFFAOYSA-N	249.785	4.783	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cc2cccc(C)c2o1	696176528	JOZNJZFZLPTJGG-CYBMUJFWSA-N	245.366	4.567	0	10	BJAE	
CCC(C)(C)CCNc1ccc(OC(C)C)cc1	696686887	LDCINBRHMANRIX-UHFFFAOYSA-N	249.398	4.712	0	10	BJAE	
CCC(C)(C)CC[C@]1(C(C)C)CCCCCN1	696803934	VCHTUFPGEVHNGV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C1(C(=O)c2ccc(C(C)(C)C)cc2)CC1	697657174	SJVGMJPGDSJZCQ-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
CC(C)=CCCC(=O)c1cc(C)cc(Cl)c1	697825927	JRVYQYQARXSTHH-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@@H]1CCCC[C@H]1C	704795562	HTRABJXSWKSIHK-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)c1ccc2sccc2c1	704823052	JXRFVQJAUCRUKJ-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
C[C@H](C[C@H](N)[C@H]1CCCC[C@@H]1C)CC(C)(C)C	704843973	JCVRNPBBXJEUIT-QPSCCSFWSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C[C@](C)(N)c1ccc(C(C)(C)C)cc1	704911074	FLNGWIDMSHZXNT-KRWDZBQOSA-N	247.426	4.594	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)c1cocc1C	705160684	NTGPIKOZLYFRGY-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
CCC1([C@H](N)C[C@@H](C)CC(C)(C)C)CCCC1	709123790	DZZQFIUMFMRUFT-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H](C)CC1CCCCC1	709771308	ZKNGNDRWXWHWEJ-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@]12CCCC[C@H]1C2	710468707	MFXQBEAFAXPVBF-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C[C@@H](N)CC1CCCCC1)C(C)(C)C	711110718	HUBWLPQAQOBGAR-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCC[C@@H](C)C(C)(C)C)C1CC1	711225469	LUQVIPLEVLJLHH-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC(C)(C)C(C)C)c1ccc(C)cc1C	713238538	BOVIYUHXYMAINF-MRXNPFEDSA-N	247.426	4.636	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@@H]1C[C@@H]1C(C)(C)C	713747486	KFFDOBZWFPVBGJ-GJJKWNSBSA-N	249.442	4.559	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)C1CCCCC1	716836791	VBARQZGBRNHGMC-JWDQPFGJSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C[C@H](N)CCCC(C)(F)F)C(C)(C)C	718610471	JHWCUVVRCOOCST-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCCC(C)(F)F)NCC	718721964	KKVLOHYIJOQNHZ-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
C[C@H](C[C@@]1(CN)CCC=CCCC1)C(C)(C)C	719016732	AVTULUHXIPINPM-GDBMZVCRSA-N	237.431	4.524	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@]2(N)CCCCCC2(C)C)C1	719196627	DOUCPKPFAMYHIE-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CN[C@H]1CCCCCC1(C)C)C(C)(C)C	719226128	XOALRUKKXXNRAA-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCCCCC1(C)C	719269705	SEZFUBGSXUCRJX-OAHLLOKOSA-N	231.383	4.766	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CC[C@H]3CCC[C@@H]32)cc1	722074581	IYAGQOAPGAPQIE-HYVNUMGLSA-N	243.394	4.801	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@H](C)C1CCCCC1	829240310	NLMLQGZSYNREMH-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)N(C)[C@@H](C)c1ccc(Cl)cc1	1257299866	DOPXCNQARWXCAQ-NSHDSACASA-N	239.790	4.521	0	10	BJAE	
CC[C@H](C)[C@@H](O)CC=C(C)CCCC(C)C	1900906670	VJBVKKJUXHMKAJ-GJZGRUSLSA-N	226.404	4.556	0	10	BJAE	
CCC[C@](N)(CC)CC[C@@H]1CCC(C)(C)C1	1903404203	OZFFTEDNDLUELX-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](O)CC1CCCCCC1	1908555367	KHYFUYFKLXVKAA-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
Fc1ccccc1N[C@@H]1CCC2(CCCCC2)C1	1915869375	QLCWGMVBVVWKGS-CYBMUJFWSA-N	247.357	4.741	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CC[C@@H]2C[C@@H]2C1	1917352305	VTPPIMXEIWIYGJ-MGPQQGTHSA-N	243.394	4.585	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@H]1CCC[C@H](C)C1	1919960178	OASSKDSBDNCYRQ-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1CCC[C@H](C)C1	1920183839	YBFSTSMMPLXVFH-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
CCc1cc(NC[C@H]2C=CCCCC2)ccc1F	1925891896	QHUFVCSQHZDOFG-ZDUSSCGKSA-N	247.357	4.546	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1C=CCCCC1)NC	1925900138	CXHPKIQNLKJNBP-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CCN[C@H]1CC(C)(C)CC[C@H]1C	1926201569	VEAVDVOJOLUUAM-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCNC1(C2CCCC2)CCC1	1926205375	OUGPEPVVTGGVID-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CCCCCC(C)C	1941267031	NDHKIKRXPNEETN-JKSUJKDBSA-N	241.463	4.993	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NCC)C1=CCCCC1	1941269424	QONKETWUQOEHMQ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)CCCCCC1CC1	1941586272	JXEUPJUQMRDQBQ-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CN[C@H]([C@H](C)CCC(C)C)C1(C)CCCCC1	1942664175	WOFMBSHNDZJIHA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)[C@@]23CCCC[C@@H]2CCC3)s1	1944220753	HHOZOQFPAPAVTK-IUODEOHRSA-N	248.391	4.600	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)c1ccsc1C	1944454293	VRAOBHBHDZYYJX-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
C[C@H](C(=O)c1cccc2sccc12)C(C)(C)C	1945948393	WOGYJIUEWLFOGT-SNVBAGLBSA-N	246.375	4.766	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)C1CCCCC1	1947462420	NLYVALPRSDTHPM-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
Clc1ccc2oc(C[C@H]3C=CCCC3)cc2c1	1947562048	NAHCMEPAJYRCTP-NSHDSACASA-N	246.737	4.985	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@](N)(CC)CC1CCCCC1	1949018833	KYNQLYTWLGYGBH-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1=CCCCCCC1)C(C)(C)C	1949831820	SLCATDQOSGKVCQ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)[C@@H]1CCC[C@@H](C)CC1	1950911660	QFKPLMLCSDPJTR-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1CCCC(C)(C)CC1	1950914859	UJCDPKNCZARNCX-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCCC(C)(C)CC1)C1CC1	1950917787	HGKXQYLQVDEPMQ-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)N1CCC[C@@H](C(C)(C)C)C1	1962912457	IWYGESSFVIFQRT-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@@]2(C)C=CCCC2)CC1	1966037441	ILOMHCFYETXSKH-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
Cc1cc(F)ccc1NC[C@H]1CCCC2(CC2)C1	1968361947	UGANFUSBDFFHBY-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CC1CCC(CN(C)[C@@H](C)c2ccccc2)CC1	1968435769	IIGZDQNSZDAEQM-PCKAHOCUSA-N	245.410	4.506	0	10	BJAE	
C1CCCCN(CC2CC3(CCC3)C2)CCCC1	1970125835	MULFTQRAEADXOX-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC1CCC2(CCC2)CC1	1973044676	YNFABJJNFVSZDV-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCCC(C)(C)CNCC1CCC(C)(C)CC1	1973164345	RBLJINZVWQVAGZ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H](C)CCC	1984604835	CIUCNQGXJAWLPM-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)CCCC)C1	1984691960	HYFJKAXSTWNGAY-NFOMZHRRSA-N	225.420	4.514	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CC(C)(C)C(C)C	1986938017	LRSMGPDEPYCLEP-OAHLLOKOSA-N	228.420	4.636	0	10	BJAE	
CCC1(CC(=O)c2cc(C)sc2C)CCC1	1988434639	LJIKBMDFBINEIR-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CCCCCC1CC1	1989801155	ODLMIICKDGSRCH-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCCOc1cc(C)c(Cl)cc1C	1989926327	LHPDLHSYGWWCHC-UHFFFAOYSA-N	238.758	4.692	0	10	BJAE	
Cc1cc(-c2cc3sccc3s2)ccc1N	1994738159	IMCFHCQZBZKOCZ-UHFFFAOYSA-N	245.372	4.520	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(O)CCCCCC1CC1	1998745702	ZHAZUYATHYPEMX-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](CC)(CNCC(C)C)CC1CC1	2000498565	AKSBAZPWVVDUCJ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)CC(C)(C)F	2000519749	FEIVNZRNXUPPGO-HNNXBMFYSA-N	245.426	4.709	0	10	BJAE	
CCC[C@@H]1CCCN(C2CCCCCC2)CC1	2000901029	UVCIFAFEEWBALE-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCC(C)(C)C1)C1CCC1	2002991760	VTRZWWGVCISDRV-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@](C)(O)[C@H]1CCCC(C)(C)C1	2003015571	DXYIRFGXIATEKV-YXWQFLTLSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@@H]([C@H]2CCCCCCCC2=O)C1	2003071549	ZVFHXHIYUVOFBE-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCCC12CC2	2005543870	AIMNJYCSDPEQIJ-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H]1CCCCC12CCC2	2005563394	KDLJZSVMRDFEPC-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)[C@@H]1CCCCC12CC2	2005602278	WYDAQXVQKAIRQJ-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H]1CCC(C)(C)CC[C@H]1NCCC	2009403759	GJUUXGSGQOZQHA-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCCN(C)[C@@H]1CCC[C@H](CC)CC1	2009567030	LPJKCBHBYSFDLK-INCBCAAFSA-N	237.431	4.633	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCCCC12CCCC2	2009571161	DQMSRSPBBJRONX-KZSQQDEKSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)C[C@H](NC)C1=CC[C@@H](CC)CC1	2010750383	VGWWUZVTWZWNAR-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CC[C@]12CCC[C@@H]1C2	2010972728	YSSDOUWRLRFDNO-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCCCCC12CC2	2011272796	VHWSSZQFJRGLBX-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CC=CCCCN[C@@H]1CCCC[C@H]1C(C)(C)C	2011443890	KSPLJLNHNPRNGW-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1C[C@H](O)CC(C)(C)C1	2012059520	VXNATRZAZADRLK-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCCCCC(N)(C1CCCC1)C1CCCC1	2013223694	BMOAILTZPXEYLZ-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CC=C([C@@](N)(CC)CCC(C)C)CC1	2013295451	GCSNXCJVKSIYJK-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCCCC(C)(C)NCC1(C)CCCCCC1	2013532237	CSPBHHZYLMCAQC-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCCCC[C@@H](N)c1sc2ccccc2c1C	2014290960	JTRFJLQTXOHZDJ-CYBMUJFWSA-N	247.407	4.790	0	10	BJAE	
CCCC(CCC)CN[C@H](C)[C@@H]1CCC1(C)C	2014934017	FKHVIRSYAHDTBW-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2015194004	LOBCZAACVILTGB-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC1([C@@H](O)C[C@@H](C)C(C)C)CCCC1	2015278447	OHOMKGPYCYMGQT-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@H](CCC2(C)CC2)NC)CCC1	2015640803	WSCQXXTUUDVTFQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC1(C(=O)CC2(C(C)C)CCC2)CC1	2017124573	HGKCGIQMUAFBGI-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCC1(C(C)(C)C)CCC1	2017143167	KPYVPBZWEOVJKD-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)CC1(C(C)(C)C)CCC1	2017143789	QUAYDMWZKFCBQY-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
CCC1CCC(C[C@@](C)(O)CCC2CC2)CC1	2017649057	RQCVELIGXDQEBA-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H]1CC[C@H](CC)CC1	2017653259	QNDDHUIUHKRHEM-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(C[C@H](O)C(C)(CC)CC)CC1	2017776548	QGQNBGIGOOMVSZ-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(F)cc1C	2018139427	RPIHJBHJISRPBC-CQSZACIVSA-N	237.362	4.905	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)CCC(C)(C)CC)C1	2019204833	ZYAPLNMWKSNKDD-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCCN(CC(C)=C(C)C)C1CCCCCC1	2020503062	PFQYCGDTXABKHJ-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
Cc1cc([C@@H](N)CC2=CCCCC2)ccc1Cl	2022738486	MWMQEWKBWLMGKA-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CCC1CCC(C[C@H](CC=C(C)C)NC)CC1	2023327715	MQEQYBXYFDNMNI-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCCC1(C[C@@H](C)[C@H]2CC[C@@H](N)CC2)CCC1	2023547920	UXHITMHRTKXHMI-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]([C@H](N)C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2024095564	RGRULBINGCWHMK-MELADBBJSA-N	239.447	4.602	0	10	BJAE	
CCC1([C@H](N)C[C@H]2CCCC(C)(C)C2)CCC1	2024100421	CLDCUTKMDAFFBF-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H](C(C)C)C2)c1C	2025571850	IRIGXBYOEZNRAQ-LSDHHAIUSA-N	231.383	4.540	0	10	BJAE	
CC1(C[C@@H]2CC[C@H]3CCCC[C@@H]3N2)CCCCC1	2027310134	XVDHUHBQGOBVHJ-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](CC(=O)c1cccc(C2CC2)c1)C(C)(C)C	2028551146	CGCJNCMNIPYQCI-LBPRGKRZSA-N	244.378	4.819	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)C1(C2CC2)CC1	2028630563	HDAKBNOIGYANQZ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@@H](N)CC2CCC=CCC2)CC1	2028896633	FFDXWQSOELMVME-PREGVCBESA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1)[C@H](C)CCC(C)C	2029838111	REUMMUVVBHQUHM-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)c1ccc2ccccc2c1	2032268925	OUJKBCGKCNANEW-INIZCTEOSA-N	242.362	4.555	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1c(C)cc(C)cc1C	2035428703	ZCOCMEFMTBXMJX-JKSUJKDBSA-N	245.410	4.993	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2036668842	VVVHVZKHZHXVMV-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@H](Nc1cccc(F)c1)C2	2036669327	WTFGLWCMLZFDKU-VBNZEHGJSA-N	247.357	4.597	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1ccc([C@H]2C[C@@H]2C)o1	2037169480	VRFLSMMGNXGBSP-IHRRRGAJSA-N	247.382	4.539	0	10	BJAE	
CC(C)NC[C@@H](C1=CCCCC1)[C@H]1CC[C@@H](C)C1	2037700772	GXACSKSTNYQRJK-PVAVHDDUSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H]1C[C@H](CCC2=CCCCC2)CCC1(C)C	2037870904	MUDNTQJIBCOMCL-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC1CCCCC1)NC1C[C@H]2CCC[C@@H]2C1	2038614610	OAJNNLMWBRAYBN-FVQBIDKESA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)CC23CCC(CC2)C3)C1	2039355335	ZGNYTNUPZVBMSV-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)C1(C)CC=CC1	2042016378	JNNRFLCBLUUZLH-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(OC[C@@H]2CCC=CCCC2)c1F	2045315532	VKSXTIHVLFTNCH-CQSZACIVSA-N	248.341	4.649	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1C[C@H]1CCC=CCCC1	2045329681	PYCQAZWMHAIAKD-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CN[C@H]([C@H]1CCCC(C)(C)C1)[C@]1(C)CC=CCC1	2045390172	CSYSTLQHUMHNSI-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCCCCCC(=O)[C@@H](c1ccccc1)C(C)C	2045673892	OTAZLUIVIRBALS-QGZVFWFLSA-N	246.394	4.966	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@@H]1C=CCCCC1	2045800490	VTBZVGINOUEWHD-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCN([C@@H]2CCC(C)(C)C2)c2ccccc21	2046581085	JVPRWLVUYBQGJL-ZIAGYGMSSA-N	243.394	4.579	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CN[C@H]1CCCCC12CCCCC2	2047598418	XZJJFIOMVBHHBF-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2048470332	NOPNKICRSPAOCE-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2048622191	UDEKCZFEQAPDMR-ZMUBYXEMSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CCC([C@H](C)NCC2=CCCC2)CC1	2049418643	SQMMJXBJUWZZHV-OOHWJJMZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@@H]2CCC3(CC3)C2)C1	2049849714	SKSSESLYOCCVGZ-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2CCC3(CC2)CC3)CC1	2049851574	AGASKBOFCXZCSO-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCCCC1CC1)c1cccc(C)c1	2050458359	MDLZONOSEJFMEA-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CNC[C@]1(CCC(C)=C(C)C)CCCCC12CC2	2053355118	HRZFCXDKASTTKN-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@H]1CCCCC12CCC2	2053410680	GGEBFZHUTYKIHI-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC([C@@H](N)[C@@H]2CCCCC23CC3)CC1	2053416770	VJVSBHMEDFZHQX-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@H](C[C@H]2CCC=CCCC2)C1	2055038637	JVLKCJVTIRGSAS-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCC[C@H](C(C)C)CC2)CCC1	2055550757	UXOBNVCAJTWBGI-YESZJQIVSA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](CC1CCC1)C1(C)CCC2(CC2)CC1	2056558079	BEMVKFPOEZNSPS-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](NCC)c1c(C)cccc1C	2059224544	BWAWEIYHAVRVIJ-INIZCTEOSA-N	245.410	4.700	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)c1ccccc1F	2059250660	SFXGUGAGZODJGJ-WMHVBEDNSA-N	249.373	4.613	0	10	BJAE	
CSc1cc(Cl)c(Cl)c(C(F)F)c1	2060073076	IPYZVWUSEAJOHN-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
Cc1c(Cl)cccc1Sc1ccccc1	2060343910	FHXALORYJRMKHB-UHFFFAOYSA-N	234.751	4.800	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](NC)C2=CC[C@H](C)CC2)C1	2060924560	FURUBMXQPXGPMM-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC[C@@]12CCC[C@@H]1C2)CC1CCCCC1	2061573153	VXZYLGZIZNSTGB-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@]23CCC[C@@H]2C3)C1	2061608002	UTTCDPWPFGOVRY-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)C[C@@]23CCC[C@@H]2C3)C1	2061608659	YRUVOORPBXEKRN-GMUWMPNVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC)CC1CC(=C2CCC2)C1	2061736357	FVGMDANDDODICT-ZFWWWQNUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)CC1CC(=C2CC2)C1	2061740532	ZUEWAQBSIMUCGI-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C[C@@H](C)c1ccccc1	2062629470	FQOSBXXYADFGMS-LZWOXQAQSA-N	244.378	4.576	0	10	BJAE	
CC1(CC(=O)CC2C[C@@H]3CCC[C@H]3C2)CCCC1	2063419736	TZFOCIRXUJQLEL-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
O=C(CCCCCC1CC1)C12CCCC1CCC2	2063853855	YJERWOBFRBSAJG-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
Cc1c(F)cccc1NCC12CCC(CC1)CC2	2065300264	KXEMUKRRFQIOLU-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CN[C@H](C1CC1)C1CCC2(CCCCCC2)CC1	2065896667	JWVIYABCOBMKJV-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1C[C@@H]2CC[C@H]2C1	2068799384	IGDKAVJCEQTAPM-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C[C@@H]1CC12CCC2	2069183546	TYDLPCUVXWHSTG-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCCCC23CC3)CCC1	2069339268	HETJBHIXYKSOFI-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCC12CCCCC2	2070407565	HOAXHTISTKRZEN-HOTGVXAUSA-N	249.442	4.824	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)c1ccccc1C1CCC1	2072767419	HWWCEPSJZMFORX-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCC1CCC(C[C@@H](N)C2CC3(CCC3)C2)CC1	2072795197	BLVSTPURDNHSSU-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C=C(C)C[C@@H]2CCCCN2)CC1	2072813429	UAZQDRYXLJNNIW-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@H](CC)Nc1cc(C)c(N)cc1C	2073279262	AVXNFGGYGNTERI-AWEZNQCLSA-N	248.414	4.656	0	10	BJAE	
NCC1(C[C@@]23CCCC[C@@H]2C3)CCCCCCC1	2074028989	KTOZVMABGDPVRX-WBVHZDCISA-N	249.442	4.646	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1=O	2076445340	YXJSFEZVALKRMV-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2C[C@H]2C2CCC2)CC1	2079304239	SVEVLHCRQIEFAA-YTWPKEEVSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CC1(N)CC2(CCCCCC2)C1	2079861403	FBEMPUSGHNIGJW-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCC2)CCCC(C)(C)CC1	2081681722	DQELHXFSRMKXKL-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)[C@H](C)CCC(C)C)c1	2082918442	ISLPCMURPBWCLB-CXAGYDPISA-N	247.426	4.684	0	10	BJAE	
CCCCC[C@@H](NCC)c1cc(C)cc(C)c1C	2082929379	DQOMIJMOYVEGFO-QGZVFWFLSA-N	247.426	4.843	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1C2(CCC2)C12CCC2	2083562422	KFFNTWGFVFYKHW-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC(=O)[C@H](CC1CC2(C1)CC1(CCC1)C2)C(C)C	2083613212	KGNCZUAWYTYZGZ-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C[C@@H](C[C@H]2C=CCCCC2)NC)C1	2084996516	VXXMVZKXUYDKNY-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
COc1cc(Cl)c(C)cc1CCC=C(C)C	2212639485	AAXXMSYVXVRWOI-UHFFFAOYSA-N	238.758	4.556	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)CCCCC1CC1	2214573536	NQNLVYKFYAATPM-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C(=O)CC1(C)CC2(CCC2)C1)C(C)C	2215441484	HTIREHWHFVKLFH-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCC1(C[C@@]2(N)CCC[C@@H](C(C)(C)C)C2)CC1	2216250651	BNVPEDBSMLDOAT-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](O)(CC2CCCC2)C1	2216251847	GRFMNTOMBNMERS-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN([C@H]2CCC[C@H](C)C2)C1	2218168930	QRWZGGVEMPIBGM-ULQDDVLXSA-N	249.442	4.633	0	10	BJAE	
C/C=C/CCC[C@H](NC)C1C[C@H]2CCC[C@H](C1)C2	2218345284	DCLIHYGXTMFJJA-OZZMQFRTSA-N	249.442	4.537	0	10	BJAE	
CC1(CC[C@@H](N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218353442	IKZNLBLQAPFOBY-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
NC[C@@]1(CCCCC2CC2)CCCCC12CCC2	2220042719	WHRBTYGMOUJFDG-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
N[C@H](CCC1CC(C2CCC2)C1)C1CCCCC1	2220301301	VPYLIGZNYCUZGQ-QWFMPGPPSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@@H]1C1CCCC1)C1CCCCC1	2220303887	WCIHIOHBTWRFBO-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCC1)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222950234	VQCCFHUQYVOAFS-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C)c1ccc(F)c(C2CCCC2)c1	2223272870	BGEKNKJQQKUUDA-GFCCVEGCSA-N	249.373	4.544	0	10	BJAE	
CCC[C@H](C)[C@H](CN[C@H](C)CC)c1ccccc1	2223546292	JYRAXUZAMSNDJG-UXLLHSPISA-N	247.426	4.595	0	10	BJAE	
CCCN[C@@H]([C@@H](C)c1ccc(C)cc1)[C@H](C)CC	2223962869	AXPHFVDYYJQDAA-HLLBOEOZSA-N	247.426	4.513	0	10	BJAE	
Cc1scc(C(=O)[C@H](C)CC(C)(C)C)c1C	2242607588	ZEKISOJWOBSSAA-SECBINFHSA-N	238.396	4.620	0	10	BJAE	
CC[C@](O)(CC[C@@H]1CCC[C@@H](C)C1)CC1CC1	2246685783	ZFVWFKBXQZJEMF-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC1(C)C)CC(C)(C)CC	2247305117	ZDIPIIOIEXENMI-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CNc1c(C)cc(C)cc1C	2250389121	GGQRNWNSMYIHHY-HNNXBMFYSA-N	233.399	4.850	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1CCC[C@H](C)C1	2250467631	UBZMLUSBTBCPGI-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
CC1(CC[C@@H]2C(=O)C(C)(C)CCC2(C)C)CC1	2251717104	IHDMULHZNHULJS-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC2CC3(CCCC3)C2)C1	2254081524	CILSCIHRCJUDGK-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1CC[C@H]2C[C@@H]2CC1	2254587546	QUNNBJOERVMRGM-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1(N)CCC2(CCC2)CC1	2254603865	FHSSCYYHUWWQNQ-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
O[C@]1(CC2=CCCCC2)CCCCC12CCCC2	2255062707	IIMZYAQLHKFPIE-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
O=C(CC1=CCCCC1)C1C[C@H]2CCC[C@H](C1)C2	2255066053	XZKLFAJESMNSLH-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CCNC[C@@]1(CC2=CCCCC2)CC[C@@H](CC)C1	2255104465	XEBSHQAZESSDMB-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC[C@H]2CCCC23CC3)C1	2255271734	XKEKMSXPERIDCV-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1[C@H]2CCCC[C@H]21	2257311558	MVJAUNWQAGSFGJ-NPCUJANDSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@]12CCCC[C@H]1CC2	2260513674	VWBNHRROEAZYJN-RDJZCZTQSA-N	246.394	4.662	0	10	BJAE	
CC[C@](N)(C[C@]12CCCC[C@@H]1CC2)C1CCCC1	2260654999	BCGJNJYFMDDXMO-OIISXLGYSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCC1CC1)c1cccc(C2CCCC2)c1	2260728572	DSONWOSTEFQHKR-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1CC[C@@H]2C[C@H]12	2297867428	HOQXBINGCKIHQM-DSJMHWKBSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCC1(CN)CCC2(CC1)CC2	2300701644	SRCSKBXXWIAONC-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC=CC[C@H](NCCC)C1CCCCCCC1	2300881716	QXNWLVSSKPJLNO-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC1CCC([C@@H](O)CC=C(C)CC)CC1	2300882888	YMXZXHMIWCQDNF-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
CC(=CCC=C1CCOCC1)CCCC(C)C	2300929268	NSOFUUHPOKZZSE-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)CC1CCCCCC1	2301134152	VAGKYVYDMCHJCL-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)[C@H](C)C(C)C)C(C)C	2301844801	SVNUXUGMVKFFCZ-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CC1CCC(c2nc([C@@H]3CC3(C)C)cs2)CC1	2302259746	TWLHRYWDWRHQAX-MCIGGMRASA-N	249.423	4.950	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CCCCC1CC1	2302579751	MGVQPERUTAUAKS-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC[C@H]3C[C@@H]32)c1Cl	2302835952	IXRSJNALPXPZBP-RWMBFGLXSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@H](CC)N(C)C[C@H]1CCC(C)=C(C)C1	2303518558	AXFGPFPQZONNKG-JKSUJKDBSA-N	237.431	4.633	0	10	BJAE	
CCN[C@@H](CC)CCCC[C@@H]1CCC(C)(C)C1	2304448196	VXTIITVOIBZMGI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)CCNc1cccc(C(C)C)c1F	2307569700	GZVWWJYOYHJRAI-GFCCVEGCSA-N	237.362	4.797	0	10	BJAE	
CCC[C@@H](CC)CC1(O)CC(CC(C)(C)C)C1	2307835292	PIAFZWPDJSRJEB-VQCLRJIVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(C)C(C)(C)C1(C)C	2307899598	QZMJAGIAJSPJGU-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1[C@@H](C)CCC[C@@H]1NCC	2307902815	MSMGDEOPMOBBIR-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CN(CC(C)C)C(CC)CC	2307906086	BQXQHCDNAOSTPS-OAHLLOKOSA-N	241.463	4.959	0	10	BJAE	
CCC[C@@H](N[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C1CC1	2309184596	ILZCWJHMOJDSIA-MWDXBVQZSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)CC[C@@]12CCC[C@@H]1C2	2310382927	SYISIVPAAQIVEK-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312869925	FYEIATGONDVVPG-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCCC1CCC1)[C@@]12CCCC[C@@H]1CC2	2313290545	DMXIRBSJILNKER-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@]1(C(=O)C(CC2CC2)CC2CC2)CC=CCC1	2313691006	BXKXRSGZCRGDSR-KRWDZBQOSA-N	246.394	4.518	0	10	BJAE	
CCc1cc(C(=O)[C@H]2CCCC[C@@H]2C)ccc1C	2314698584	AILMHKFLCGYLMW-BBRMVZONSA-N	244.378	4.566	0	10	BJAE	
CCc1cc(C(=O)[C@H]2CCC[C@H](C)C2)ccc1C	2314701289	AZYBOXGIRBDIFA-WFASDCNBSA-N	244.378	4.566	0	10	BJAE	
CC(=CC[C@@H](N)c1occc1C)CCCC(C)C	2316503754	REVYLOWRGJNRGR-OAHLLOKOSA-N	249.398	4.751	0	10	BJAE	
N[C@@H](CCCC1CCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316698341	LVAZHXWRJDSQFY-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCC2(CNC2)C1	2317561677	LXEIRXUXDBXNBB-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@@H]1[C@@H](C)[C@H]1C	2318598907	URAXSUYQNQAMDX-WTTBNOFXSA-N	249.442	4.537	0	10	BJAE	
CCOc1cccc(F)c1C[C@@H]1C=CCCCC1	2319126457	OXZCDJPLMFSCCD-CYBMUJFWSA-N	248.341	4.513	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@H]2CCC2(C)C)c1	2320571442	VCWPXLQEAFGCRC-OAHLLOKOSA-N	244.378	4.819	0	10	BJAE	
CC(C)c1cccc(NCCCC2CCC2)c1F	2327767034	LYNMLYTYPKLCON-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CC)c1ccc(C)cc1	2328209842	MAJCQNWXYLPQFV-RDJZCZTQSA-N	248.410	4.809	0	10	BJAE	
CCC[C@H](C)CNc1cc(Cl)ccc1Cl	21519033	HCJOAFWTYKBEMJ-VIFPVBQESA-N	246.181	4.842	0	10	BJAE	
CCc1ccccc1N[C@@H](C)c1ccc(F)cc1	21520443	NKPRRGKGTBKDII-LBPRGKRZSA-N	243.325	4.561	0	10	BJAE	
Cc1ccc2c(c1)[C@@H](C(C)C)CC[C@@H]2C	59587184	PGTJIOWQJWHTJJ-QWHCGFSZSA-N	202.341	4.632	0	10	BJAE	biogenic,in-man
CC[C@@H](C)c1ccc(N[C@@H]2CCCSC2)cc1	61574552	LUDOJAGBNBCWFN-IUODEOHRSA-N	249.423	4.508	0	10	BJAE	
CCCC(CCC)NCCC1CCCCC1	71104361	NKXSLRHKGVIOPM-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](NC[C@H](C)C(C)C)c1ccccc1	81046521	DYZSBBGRFKEZLV-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
C[C@@H](C[C@@H](O)c1ccc(Cl)s1)C(C)(C)C	82628622	GQYOOOZUUORMJY-DTWKUNHWSA-N	246.803	4.507	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1	84982500	OUCAYQOPJZTKOZ-CKEIUWERSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@@H](CC)C/C=C/CCNC(C)C	86571646	DGLQKSIVNFTSHB-XVJNWHFHSA-N	225.420	4.537	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)C2CCCCCCC2)c1	86581062	UHHKHWXKIRGGOG-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CCC1CCC(N[C@@H]2CCC[C@H](C)CC2)CC1	86889259	LYLZMFOTWAOZHB-JWMHWRSXSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(C)cc1C	110153641	GUUPIOKJFPKLHH-HNNXBMFYSA-N	233.399	4.932	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(C)c(F)c1	110158932	JZGSPMWNFFSDPR-ZDUSSCGKSA-N	237.362	4.762	0	10	BJAE	
CCCC[C@H](CC)CNc1c(F)cccc1F	110159865	XPCOMULKDWJFAW-NSHDSACASA-N	241.325	4.593	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(C2CCCCC2)C1	125015048	GQIMNICNAFUZKG-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1c(F)cccc1Cl	135245199	OKVXONMBUQAUNY-SNVBAGLBSA-N	243.753	4.716	0	10	BJAE	
CC(C)c1nc(-c2ccccc2Cl)cs1	146459574	MLXJLIASDZAZSC-UHFFFAOYSA-N	237.755	4.587	0	10	BJAE	
O=C(CC1CCCCC1)C1CCCCCCC1	158842553	LHQNKCSURWYYRQ-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)c1ccc(C)cc1	161921922	WTCDCPKNUZLAID-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
Cc1cc(C)c(C(=O)CCC(C)(C)C)c(C)c1	165215586	OXIWIDBDPXIHEN-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
CCCC(O)(CCC)c1cc2cc(C)ccc2o1	165435494	CSMFTNYAAVNXKX-UHFFFAOYSA-N	246.350	4.529	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1cccc(C)c1F	165806087	DBLHJWDWHZOFAZ-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
CCCCCC(=O)c1cc2sccc2s1	167976580	MXZYBOQPJBITFF-UHFFFAOYSA-N	238.377	4.726	0	10	BJAE	
CCC[C@](C)(CNC(C)C)CC1CCCCC1	203437309	DNELNAXLRIQAPK-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CC1CCCCC1)C1CCCCCC1	203537032	MYCAUUWNCQARBR-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)CCC(C)(C)C)[C@@H](O)C1	222625474	GHUKOCYSZNREMK-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCCC1CCCC1	225057671	NNRBNMNMUDZECI-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCCCC1CCCC1	225059567	FXHNFMRWYOKRLI-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](NCC)c1cc(C)c(Cl)s1	226671178	UJWIEAPOVSHWLY-JTQLQIEISA-N	245.819	4.551	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H]1CCCCC1(C)C	226818793	UVKBSRWQZASTNA-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CC[C@@H](N)c1ccccc1	227161435	FJSBTJZTHZCYGT-BFYDXBDKSA-N	245.410	4.683	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)C(CC)CC	228739368	YQYVWPACRUROIB-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1c(C)cccc1Cl	229639213	HRHNBJOMEYBYAE-YPMHNXCESA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC(C)(C)C[C@@H]1C	232937242	RHCPGONZMDANLL-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C1(C)CCCCC1	233523754	MWRMBRBBITWULY-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](c2ccc3c(c2)CC[C@@H](C)N3)C1	235360559	MXCRLBWHVJHHBM-MCIONIFRSA-N	243.394	4.727	0	10	BJAE	
CC(C)Oc1ccc(NCCCC(C)(C)C)cc1	305959715	WNPISORFSDCPFA-UHFFFAOYSA-N	249.398	4.712	0	10	BJAE	
CCCN[C@H]1CCC[C@H](CCCC(C)(C)C)C1	305962709	XDCKSOWFEZPUOC-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)c1csc(C)c1	308020699	JODHWKOKROSTTD-OCCSQVGLSA-N	240.412	4.552	0	10	BJAE	
O=Cc1cc(C2=CCCCCC2)ccc1Cl	309155148	PAKWSDPWGNMABD-UHFFFAOYSA-N	234.726	4.500	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CC(C)C)C(C)(C)C	309991621	RCPDUNBGSPKILB-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
N[C@@H](CCC1CCCCC1)CC1=CCCCC1	310061374	JNTDTXAKFLTHMI-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)C(C(C)C)[C@H](O)C1=CCCCCCC1	310528319	XSNRYUQQIKVQAS-MRXNPFEDSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H](CC(C)C)c1ccccc1C(C)C	310839925	MCUGDRXPNOFMHQ-QGZVFWFLSA-N	247.426	4.897	0	10	BJAE	
CCOc1cccc(N[C@H](C)CCC(C)(C)C)c1	310998543	NNAPMTDMICONLS-CYBMUJFWSA-N	249.398	4.712	0	10	BJAE	
CC1(C)CCC(C[C@@]2(C)CCC[C@@]2(C)O)CC1	313116023	PWUSRMFVWMJNCK-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC(C)C)CCC[C@@H](C)C1	317351612	AQIHZUOTQPQBBT-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@H](C)CC(C)(C)C	380862930	PSBRSNRIPFPENR-QWHCGFSZSA-N	226.404	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1C[C@H]1CC(C)C	387920771	PYKQNJLKWISUDX-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCC1CCC1)c1cccc(C)c1C	398796860	MQFPBLJXCBGWKS-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)c1ccc(C)s1	400724795	MSRDICPDDLUIDW-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1	403697911	SVNUQACQDFLZLX-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H](C)c1cccs1	441187701	HQPQZLHECSQFST-LBPRGKRZSA-N	239.428	4.567	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@H]1CCC[C@@H]1C	688927361	QRNMAFOTLFGESR-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cc(C)c(Cl)s1	696648263	XQRGMWLMDWEZQO-SECBINFHSA-N	245.819	4.536	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CC[C@H](CC)C1	697759588	OXTUYIPQJOMMOG-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@]1(C)CC1(C)C	702179278	BFXASCDOCNYVTB-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)C1CCCC1	704965576	DMLKCWBZZPYECL-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@@H]1CCCC12CC2	706307411	BKUFSVACHYELIR-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@@H](C)CC(C)C	708269141	GYGYQOMBXBYAKM-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC(C)(C)CNC[C@@H](C)CC(C)(C)C	709252326	ZGMXEFAECQJYFP-AWEZNQCLSA-N	241.463	4.721	0	10	BJAE	
Cc1ccc(C)n1[C@@H](C)CC1CCCCC1	709884967	ZEWNRFLTXNKELY-AWEZNQCLSA-N	219.372	4.636	0	10	BJAE	
CC(C)c1cccc(C(C)(C)C)c1Cl	709907005	XLRZFLMVXWPXGX-UHFFFAOYSA-N	210.748	4.761	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)(C)C)CC(C)(C)C	710791370	AUQZAZUQXPIIFH-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCc1ccc([C@@H](N)C[C@H](CC)C(C)(C)C)cc1	711048031	BPVIFIOQSJSWSE-HOTGVXAUSA-N	247.426	4.711	0	10	BJAE	
CCCc1ccc(N[C@@H]2C[C@@H]3CCCC[C@@H]32)cc1	712409425	OMBCOAIQWRNCDJ-BHYGNILZSA-N	243.394	4.630	0	10	BJAE	
C=C/C=C\CCCC(C)(C)C(F)(F)CC	713678043	LTAKEVHGAPISQP-FPLPWBNLSA-N	216.315	4.970	0	10	BJAE	
C=C/C=C\CCC(=O)c1cccc2ccsc12	713680160	AFBOTDKIVULDBV-ARJAWSKDSA-N	242.343	4.606	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@H](C)CCCC	713683495	LDXPSMADEFNURM-VQVOLHRSSA-N	237.431	4.703	0	10	BJAE	
C=C/C=C/CCCc1ccc(C)cc1Cl	713747242	WKMSKNCGZLWEFR-SNAWJCMRSA-N	220.743	4.713	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@@H]21	714310494	HTURUGLXOZQKAH-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NCCCCC2CC2)cc1Cl	720118748	XQJRFQIANMQNFO-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)C(C)(CC)CC	721749276	RFZUMQKYZLEYOU-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CSc1cccc(N[C@@H]2CCCC3(CC3)C2)c1	723603560	MLUZWBLZGLRMQO-CYBMUJFWSA-N	247.407	4.543	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)CC1CCCC1	1905375038	SYACQJMHIRAYEK-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNc1ccc2sccc2c1	1908570356	JQWJQWICXYDPIX-NEPJUHHUSA-N	245.391	4.749	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)CC1CCCCC1	1908584379	TYOLZMWSRIBWOL-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@@H]2CCCC(C)(C)[C@H]2O)CCCCC1	1910192597	XHLNXPPPRSKASB-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCCC1(CN)CCC(C(C)(C)C)CC1	1911905481	FXJHYYDXABDLQB-UHFFFAOYSA-N	249.442	4.690	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)C1CC2(CCCC2)C1	1912629928	YDHMAGLATALPRI-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)[C@@H]1CCCCCCCC[C@@H]1O	1913398032	LXXFCZSTXJPPMU-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H](N)C1CC2(CCCCC2)C1	1921473695	MIIWVAYCGNHLMP-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@](C)(CC(C)(C)C)C1CCCC1	1924072610	LBWAKXSJACQPAL-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
C1=C[C@H](CC2[C@@H]3CCCC[C@@H]23)CCCC1	1925814827	PQJCQGRJGAYDLQ-BFHYXJOUSA-N	204.357	4.559	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@H]1C=CCCCC1	1925888827	HZMBPPNKAXJYSF-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@@](C)(CC)CCC[C@@H]1CC1(C)C	1940880765	BUOAXVLXEGGSSX-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NCC)C(C)(CC)CC	1941274125	WNGIMRVRWIPMAR-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CCC2CCC2)CC1	1941470440	QEOQNIKWMYBTCM-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](C)CNc1ccc(C2(C)CC2)cc1	1944597659	CMXYXBRSPXNCTD-CYBMUJFWSA-N	231.383	4.586	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CCC(C)(C)C2)CC1	1945580725	AIVFAPHTCWLQHF-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)CNC1(C)CCCCCC1	1945602656	GYMZSMXAULCWHF-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C1C(C)(C)C1(C)C	1946179718	KZSMPZOSCKVFIQ-LBPRGKRZSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](C)C=CC(C)(C)C1CCCCC1	1946182937	ZYHDPQNUYBFOKR-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1C[C@@H]2CCC[C@@H]2C1	1950291463	CDAQDNSHQLUOTF-CLLJXQQHSA-N	249.785	4.639	0	10	BJAE	
CC=C[C@@H](C)Cc1ccc(OCC(C)C)cc1C	1951308636	KNTUKKDRAUDHQA-CQSZACIVSA-N	246.394	4.785	0	10	BJAE	
CCCC1CCC(NC[C@@]2(C)C=CCCC2)CC1	1966037635	KKPSWXLSHZBNKU-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1N[C@H]1CCCCC12CCC2	1967761949	FPZOQBOBKUFVGJ-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(OC[C@H]2CCCC(C)(C)C2)c(C)c1	1968395783	ANTYVMSTEZMSIP-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
Cc1cc(F)cc(NC2CCC3(CCC3)CC2)c1	1968594434	FDJPJOSPJDGDAC-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
C1CCC2(CC1)CCCCN2CCCC1CCC1	1972912311	IKVLOPKISKNDQE-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCCCCC(=O)[C@H]1CCC[C@@H](CC)CC1	1976343009	RXOFBQHQSHYSLT-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
CC=CCCCC(=O)c1ccc(Cl)cc1C	1984590960	IYENKPPBTMMJTO-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCC[C@@H](C)C(=O)[C@H]1CC[C@H](CCC)CC1	1989780314	RDDXPMKUUYYCQS-MGPQQGTHSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C(=O)CC1(CCC)CC1)C(C)C	1990593976	KVQBPGGIXKOCAJ-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
C[C@H](CCC(=O)CCC1CCCCC1)C(F)F	1996108542	SKAVYKYGAKMGQQ-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC[C@](N)(C1=CCCCCC1)C1CCCCC1	1996568034	QXDKARBLNQESMY-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C1CCC(C)(C)CC1	1996595620	XLBFNFKCTRUFSD-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1CC(CCC2(O)CCCCC2)C1	1998262078	FCIBKTUKXLNAOB-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CCC=CCCC1	1999987643	IBHNROZGPYUCBZ-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CCc1ccc(O[C@@H]2CCCC(C)(C)C2)cc1	2000105210	IMYMGVJVRCPQGG-OAHLLOKOSA-N	232.367	4.597	0	10	BJAE	
CCN[C@@H](CCC1CC1)C1(C)CCCCCC1	2000377588	YEESVPOLZVWKDM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCNCC(CC)(CC)CCC1=CCCCC1	2000499571	LUUFIJJBCTXYBC-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCCC[C@@](C)(CCC1CCCCC1)CNC	2000510274	NZMHVEVQNMAXRG-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC1CC(C2(N)CCCCCCCCC2)C1	2002345199	VDBJFTRKJIIYER-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@@H](CCC)C(C)C	2002508416	AZOBSTCVZHXKHQ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@@H](CC)CC(C)C	2002516787	UDEBELPXWNQVOI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1(N)CCCCCCCC1)C1CCC1	2003097145	DJEOCQWGYNKZTF-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)C=CC[C@@H](CC)C1	2006613151	HADDBUTUSRTYJU-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)C1(C)CCC(C)CC1	2007697403	PEDZBMUOMTUSGK-PWUWZPNHSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@H](NCC)C1(C)CCC(C)(C)CC1	2007852314	BYQNGXZUIHSCIU-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CCCC(C)C	2007939273	GHRHYRFDZIHSJZ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CC[C@H](C)CCC1=O	2009412232	WJOJTVDJANQFDC-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CCC1(C)CC1)NC	2009536075	QAYBWKOIKPRZSQ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H]1CCCCCCCC[C@H]1O	2009593893	PGUQYMRZIXKBNP-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@@]1(CNC(C)C)CCC[C@@H]1C	2009620359	USWQBXICJAJKEO-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@]1(CNCC)CCC[C@@H](C)C1	2009630425	WRDRRTUAWNPNTR-ZOESHWHXSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](O)CC(C)(C)C1	2012059522	VXNATRZAZADRLK-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CC[C@@](CNCC(C)C)(C(C)C)[C@@H](C)C(C)C	2012421260	JVJANOMYAHHIKP-JKSUJKDBSA-N	241.463	4.577	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](C[C@@H](C)CC(C)(C)C)N1	2013525378	SRFAGYVVDSSZFF-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@@H](CC(C(C)C)C(C)C)NCC	2015278787	RCCIRYCNYYCBKW-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC(C(C)C)C(C)C)C1	2015375571	CCEBCPZSCWZQNV-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CCC1(C[C@@]2(O)CCCC[C@H]2C(C)C)CCC1	2015596468	RJEGKEJFJSYXIK-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1(C)CC(C)(C)C1	2017478123	OFWBCIHWMOKICQ-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CCC[C@H]2C)CC1	2017775272	ZRGXWBATEWIJGY-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)CC1C[C@@H]2CC[C@H]2C1	2018129318	BRBZXCAJIZPNCY-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)(C)C)CC1(CC)CC1	2018989382	FDFWEDMRLQANRU-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CN(CC)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2019123730	IYDCDCMEDTWHKW-IJEWVQPXSA-N	239.447	4.569	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1C=CCCCC1	2019495870	FVZKEHTWIADIMO-AWEZNQCLSA-N	229.367	4.721	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1C[C@H]1C1CCCC1	2022556051	CCAMYIWQJUTEFF-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)[C@H]1CC[C@H](CC)CC1	2022557386	NYTKXQWQVDGIKY-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](C)(CCCCC(C)(F)F)CNC	2023297120	OCNRHRZVTBPUDY-ZDUSSCGKSA-N	249.389	4.618	0	10	BJAE	
CN[C@@H]1CCC[C@H](C)[C@@H]1CCCCCC(C)C	2024509815	IXYMHNBHYZUQSC-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@@H](C)CC(F)F	2026168275	YYQCDHADYGEDKH-YNEHKIRRSA-N	249.389	4.602	0	10	BJAE	
CC1(CN2CCC[C@@H]3CCCC[C@@H]32)CCCCC1	2027276847	WRJKAXZQTZGZLN-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@@]12CCCC[C@H]1C2	2027314372	PGHHVLMIRPOOFQ-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1C[C@@](C)(N)CC(C)(C)C	2027467314	UPXLBOGURJZRPE-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
CN[C@@H](C1=CCCCC1)c1ccccc1C(C)C	2027518615	TXYCSNSOGJHZPL-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC(C)CCC[C@H](O)c1ccccc1C1(C)CC1	2028558069	SVXDULDBRGANJQ-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
O=C(CC1=CCCCC1)c1ccccc1C1CC1	2028565655	MTMNTBLEPXKEDU-UHFFFAOYSA-N	240.346	4.637	0	10	BJAE	
O=C(CCCCCC1CC1)C1CC[C@H]2C[C@@H]2CC1	2028966218	ZPASFKBXZNPCHJ-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1ccc(C2CC2)cc1	2029074738	MHMXFRCZAUUCFC-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CC[C@H](C)c1ccc(NC2C[C@H]3CC[C@@H]3C2)cc1	2029081092	OHWZZYMLCQSBER-NWANDNLSSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)CC(C)(C)CC2(CC2)C1	2030282961	ZVHICSYXKLHUKT-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@@H](NC[C@]1(C)C=CCCC1)C1CC1	2030351490	KROQIPGFJIHKCI-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CCC(N)([C@@H]2[C@H]3CCCC[C@H]32)CC1	2033485931	KGNAXSCTDWSZAC-LJEMCRLJSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)C[C@H]1C=CCCC1	2035599145	MDJWPVNGAHAXEO-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2037593767	QFCDPEXUKMSRRQ-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H]2C=CCCCC2)CC1	2039031270	CYUTVNSIEFJXGU-IXDOHACOSA-N	249.442	4.680	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)CC12CCC(CC1)C2	2039353432	GKQSFCUAHJIEER-CGZBRXJRSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@H](CC23CCC(CC2)C3)NC)CCC1	2039415318	KHYZFFLDDBZLRX-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@@]2(C)CC=CCC2)cc1	2042015641	BYPSNSCNJWLYSJ-SJORKVTESA-N	243.394	4.556	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2042344858	LEXZMNXTDFIWKG-NCOADZHNSA-N	249.442	4.536	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H](C)c2ccoc2)CC1	2043059422	KAGSTRUQEIDEOR-FMKPAKJESA-N	249.398	4.535	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@H]1CCC=CCCC1	2045307861	OWOARUNLXHFWNR-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)[C@@H]2CCCC(C)(C)C2)C1	2045532523	QDZKBOHPEWPJJD-UKMLZYKCSA-N	249.442	4.523	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)C[C@@H]1CC12CCCC2	2047008188	MQRUNNIVPOEIJI-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CC12CCCC2)C1(C)CCCC1	2047019635	KCZRBCMYGAOLRM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C[C@@H](N)[C@]2(C)CC=CCC2)C[C@H](C)C1	2047687536	SPXGHULXQNTYRU-MUIFIZLQSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048444161	YRAPBFVVVORVNS-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC1CCC=CCC1)[C@H]1CCCC(C)(C)C1	2049533776	SXDHXRUOPNAKNC-CABCVRRESA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](N)CC2CCC3(CC2)CC3)C1	2049851880	CLXAHZULCDWJNY-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C[C@@H]1CCC2(CC2)C1	2049937192	BGHQEUPAMIXLEN-ZJIFWQFVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@@H]1CCCC2(CC2)C1	2049955963	ZDWMFWLBMRXDJI-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccccc1NCC1(C)CC(C)(C)C1	2050110662	NAPRSFZXUHQPBH-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1CC(CC2CC2)C1	2050215459	CPUBSWZRFVXJFS-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CC)c1ccc(C)cc1	2050424565	CDVJBCHEQUBZND-YOEHRIQHSA-N	247.426	4.862	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCCCC12CC2	2053348505	XMWCTTIPIXYZKC-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@H]2CCCCC23CC3)C1	2053417212	ZUGHADBZETWVFG-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CN(CC1(C)CCCCC1)[C@@H]1CCCC12CCC2	2053429451	KKMCMFGGCPSQLL-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@H]1CC[C@H](CC)CC1	2053662421	OHWXGNKGFNKZRW-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
C[C@H](Nc1ccc(CF)cc1)[C@]12CCCC[C@@H]1C2	2055672829	XQJNTRFVNDRJQS-JGGQBBKZSA-N	247.357	4.537	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1CNCCC1=CCCCC1	2056490520	LHSJTGVZGJURMV-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)CCCC1CC1	2056884263	SVWGSRDVLDTPFW-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC1(CC)CC(NC2CC(C3CCCC3)C2)C1	2058828283	RWLNXLPPSIGNSG-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)c1cc(C)oc1C	2059255743	JQGWQSFUPASCMO-BIENSFFJSA-N	249.398	4.684	0	10	BJAE	
CN[C@H](CC1CCC1)C1=CC[C@@H](C(C)(C)C)CC1	2061093978	BVFVDJVOFYRJKN-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1(CC[C@]23CCC[C@H]2C3)CCCC1	2061614442	VDNRQPUONLTTFV-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCOc1ccc(C(C)(C)C)cc1	2062620649	POUFIZVJFBBIMA-KGLIPLIRSA-N	246.394	4.799	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063517414	TYUMAYBOUXQVJD-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H](C)C1CC2(CC2)C1	2064495011	WAYXBZNIKDVWKO-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC12CCC(CC1)C2)C1(C)CCCCC1	2065297937	MDNPTAAUSJBJSS-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](C)Nc1cccc(C(C)C)n1	2066350580	YXUMKNKYJLVWSP-AWEZNQCLSA-N	248.414	4.976	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCC23CCCC3)CCC1	2069343458	AAAMUOLTOPKHED-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)c1cc(C)oc1C	2070406791	CFBPCUPITJZQGF-GXTWGEPZSA-N	249.398	4.682	0	10	BJAE	
CC(C)=CCC[C@H](C)NC(C1CCC1)C1CCC1	2070409357	SSMLHEQJTFLLEL-AWEZNQCLSA-N	249.442	4.680	0	10	BJAE	
CC(C)C1(CC(=O)C2(C3CC3)CCCC2)CCC1	2071915017	JLUMLYPJABLFLW-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)c2ccoc2C)CC1	2072800390	DDTFKAJDZJIKRS-IIAWOOMASA-N	249.398	4.584	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@H]2C[C@H]2C2CC2)CC1	2072880824	AIDWNZDVHCXQHZ-HPZZRFSDSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](N)C(C2CCC2)C2CCC2)CC1	2074646735	PGYDAWIGJNUMBW-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CN(C1CCCCCCC1)[C@@H]1C=CCCCCC1	2074809617	KXIUUKUQOGBSCP-MRXNPFEDSA-N	249.442	4.920	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC1CC(=C2CC2)C1	2074916397	KYXKEBVACMTKFT-CQSZACIVSA-N	249.442	4.635	0	10	BJAE	
CCCCCc1ccc(C(=O)C[C@H]2CC2(C)C)o1	2077972318	FCRJXAVECADCQG-LBPRGKRZSA-N	248.366	4.631	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@H]2C[C@H]2C2CCC2)CCC1	2079325816	WFDIYYKHAAETPQ-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@H]1C[C@H]1CCC	2079441200	WAUMSZVLSCOAQW-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H]2C[C@H]2C(C)(C)C)cc1	2079840953	FYEWBTAMLAVPNN-LSDHHAIUSA-N	244.378	4.504	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2C[C@@H]2C2CCCCC2)CC1	2079860119	CSWWIWDGNRLMBW-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@H]1C[C@H]1C1CCCC1	2079865289	OUVNTXDKAWDPLH-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
Clc1csc(-c2ccc(C3CC3)cc2)c1	2080278286	XSFPQZXUZMNWLA-UHFFFAOYSA-N	234.751	4.946	0	10	BJAE	
CN[C@H](CC=C(C)C)C[C@H]1C[C@@H]1C1CCCCC1	2081781140	SCMNOYOZGAXKLO-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCC=C[C@H]2N)CC(C)(C)C1	2082986683	NHUDNHVHMYIYMP-LSDHHAIUSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2C[C@H]2C2CCCC2)C1	2083032899	MNIJYTWUHRSFJM-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)c1cccc(C(C)(C)C)c1	2083542454	WNJCAMUGKHHRGH-KRWDZBQOSA-N	248.410	4.628	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CCCNC12CCCC2	2083818118	RVEREZKEIMZMEO-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)C1=C[C@H]2CC[C@H]1C2	2086059094	DIIRYFVOVUXRNP-JKQORVJESA-N	249.442	4.537	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H](C)C(C)(C)C	2212644257	MHPKWNJTPKZFRN-JTQLQIEISA-N	239.790	4.749	0	10	BJAE	
CC(C)=C(C)CN(C)CCCCCCC1CC1	2213532570	SEGFMDVVSFJPKT-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@@H]1CC[C@H]1C	2215094055	AAWIMAJCXZBGFO-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(C[C@](C)(O)C2(C)CCCC2)C1	2215462244	XAUKFZZAHYRIAG-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)c2sc(C)cc2C)CC1	2215819766	YPKDTHAIZRRYNQ-HUUCEWRRSA-N	249.423	4.501	0	10	BJAE	
CCC1(C[C@]2(N)CCC[C@@H](C(C)(C)C)C2)CC1	2216250650	BNVPEDBSMLDOAT-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H](CCCCCCCC2CC2)CCN1	2216901989	XOPJEAIMJPHJTK-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CN[C@H](C)CC)CC1CCC(C)CC1	2217144249	DDCCHBZKDVVQBE-FYRZTWFESA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@]1(CN[C@H](C)CC)CC1(C)C	2217153351	LGDQPLXJQYKROT-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C(CCC[C@@H]1CNC2(CCCC2)C1)CCC1CC1	2218718562	OVWIPDOJLWNGSD-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@@H]1CC[C@H]1C	2220526823	LKQYRXPZKKTQIC-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](CC[C@H]1CC1(C)C)[C@]1(C)CC=C(C)CC1	2221629558	ZTBYCGGGAOUAGN-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)[C@H](C)C1CCCCC1	2222007455	ULUUNEOVPVIBOH-RHSMWYFYSA-N	246.394	4.553	0	10	BJAE	
C[C@H]1CC=C[C@@](N)(CCCCCCCC2CC2)C1	2223122441	LDBSSSNSQLLBMB-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CCCC[C@]1(CNC1CCC1)C1CCCC1	2223584434	RVDZDXZCIKYIJB-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
C[C@H](CCCC[C@H]1C[C@H]1C)c1cccc(N)c1	2247091638	JUHMMBLLWJMTHP-MCIONIFRSA-N	231.383	4.589	0	10	BJAE	
CCC[C@](O)(CCCC[C@@H]1C[C@@H]1C)C(C)(C)C	2247126918	FLCUIKFYLMWOID-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](N)CC1=CCCCC1	2247460572	CWXFGRJGMVBBCV-HOTGVXAUSA-N	237.431	4.523	0	10	BJAE	
Fc1cccc(F)c1CCCC1=CCCCC1	2247501665	QHYAKLAEUVJVBR-UHFFFAOYSA-N	236.305	4.788	0	10	BJAE	
CC(C)C(C)(CNCCCC(C)(C)C)C(C)C	2248372051	BRHZGXYXDJSRRK-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@H](N)C1(C)CCCC1	2248856419	VUKRWPKMEXSBKQ-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CCCCC[C@H]1C[C@H]1C	2248868419	BCVKURBKGJSGPV-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)C1=CC[C@H](CC)CC1	2250361518	NKYSADJFPKOYAP-OFQRWUPVSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](N)(CC[C@@H](C)CCCC(C)C)C(C)C	2250473952	FZEIWVJARGXHHM-JKSUJKDBSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC1(O)CCCC1	2250485169	KCXUQAORKOTJKH-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CC(C)(C)CCC1(C)C	2251660303	SFULYRLLWYTVES-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@H]1CC[C@@](N)(CC2CC3(CCCC3)C2)C1	2254105739	HAKSEEQTRZVBFG-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(N)(C2CC3(CC(C)C3)C2)CC1	2254456910	YUVSXFQEYHZTNH-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCC1(C)C)c1ccco1	2255029379	ZPNGVRZOSTVJTB-UONOGXRCSA-N	249.398	4.537	0	10	BJAE	
NC[C@@]1(CC2=CCCCC2)CCCCC12CCC2	2255137834	REJGZWRRZXPMLP-KRWDZBQOSA-N	247.426	4.566	0	10	BJAE	
C[C@H]1CCC[C@H](CCN(C)C2CCC=CCC2)C1	2257963917	QWBJQDMIHAUMQP-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)Cc1ccc(C(C)C)cc1	2259434456	BUMIOPDAGGXULU-NVXWUHKLSA-N	247.426	4.506	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccc(CC(C)C)cc1	2259439279	UTOSUBNGSSLVMV-RDJZCZTQSA-N	247.426	4.711	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@]23CCC[C@H]2CC3)C1	2260575526	TXKRARPEIKJZOF-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@]23CCC[C@@H]2CC3)CC1	2260645507	IRJPYEZAJUWJBZ-GYXIZQIFSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)[C@](C)(N)c1cccc(C2CCCC2)c1	2260715125	DWTRAEXAGYULRT-GUYCJALGSA-N	245.410	4.564	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CCCCC[C@@H]2N)C1	2261305980	YMRODWKEVPVRQK-XUJLQICISA-N	249.442	4.667	0	10	BJAE	
CC1CC(CC[C@@H](O)c2ccc(C(C)C)cc2)C1	2261507752	YLKHLNQQVFRNBL-MQBCKMQZSA-N	246.394	4.670	0	10	BJAE	
CC=CCCCc1ccc(OC)c2ccccc12	2263135663	NKDZLPNSYNJREE-UHFFFAOYSA-N	240.346	4.747	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H](C)CC1CCC1	2298913018	BOMBGBUNQKZGCS-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CCC[C@@H](CC)C1	2300675756	HVDFIPNIOFBMQS-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@H](CN[C@H](C)CC)C(C)C	2300699861	IRBAKGKCACHJLI-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1(C)CCC(C)CC1	2300705050	ZMCACKOUJWGSLH-OGVSOVDVSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CCC[C@H](C)C1	2300873577	ASEYHLPPLCPHKQ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1CCC[C@H]1C	2300879405	FYTMHJZWMMCTTC-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](O)CC=C(C)CCCC(C)C	2300935960	ADIRRNCQADUCIV-GOEBONIOSA-N	240.431	4.946	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2CCCCCC2)C1	2301147896	OCSCLPGRLCYDRH-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H](C)[C@H](C)C(C)C	2301836779	OWEGLSDKYUCKLR-KLHDSHLOSA-N	241.463	4.719	0	10	BJAE	
CC(C)(C)CCC[C@H](O)CCC1=CCCCC1	2301953436	QDIOYIIQPKKGJO-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CC[C@H](c2nc([C@H]3CC3(C)C)cs2)C1	2302260123	UEMOTEXUCXEHPD-GRYCIOLGSA-N	249.423	4.950	0	10	BJAE	
CN[C@H](CCCC(C)C)C[C@H]1CCC(C)(C)C1	2302712354	FIWBDUHGKFEFAZ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303513565	QLTDARPZMFFTJI-XQLPTFJDSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2(C)CC(C)C2)CC1	2303592507	LNEXYTZQGXUAKB-OFWKBQFLSA-N	234.383	4.518	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2304430753	CYFOIZBPUOIZQW-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2C[C@H]2C2CCCCC2)CC1	2311566815	WLNIUFHVVZRMJC-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C[C@H]1CCC12CCC2	2316538291	VUFIBRWDBTWXFM-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@H]1C1CC1)CCCC(C)C	2316562695	CSBYKKIKYLKBKU-IRXDYDNUSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNCCCC1=CCCCC1	2318575720	IKRKAWNOOCKNSF-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@H]1CC[C@@H]1C	2318582834	IIRPCOYSRHOWAP-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
Cc1cc([C@@H](N)CCCC2=CCCCC2)oc1C	2318593080	PRDRXVIVMROHLS-HNNXBMFYSA-N	247.382	4.567	0	10	BJAE	
CCc1cc(C(=O)CCC[C@@H]2C[C@H]2C)ccc1C	2318933773	PUZARQFUEDJLOT-UKRRQHHQSA-N	244.378	4.566	0	10	BJAE	
CN[C@H](CCC[C@H]1C[C@@H]1C)C1=CCC(C)(C)CC1	2318937239	XNCUDKTYFWLNFC-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](Cn2ccc3cc(F)ccc32)C1	2319326170	LYNKPFGXTWYWOE-LBPRGKRZSA-N	245.341	4.607	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C[C@H]2CC[C@H]2C2CC2)C1	2319488685	DLJHDWGLLCRZEY-HIFRSBDPSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C=C1CCC[C@@H](CCN)C1	2320251986	FEAQHSVRJBOBLL-NUEKZKHPSA-N	249.442	4.524	0	10	BJAE	
CCc1ccccc1OC[C@H]1CC[C@@H]1C(C)(C)C	2320252640	ILIRZQZAHUFUGO-CABCVRRESA-N	246.394	4.700	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@]23CCC[C@H]2CC3)C1	2321623162	VTVVEAREZWUEBL-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
CCCCCCc1ccc([C@H](NC)C(C)C)cc1	2327897098	XLACMYYXCWROHZ-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCCCCc1ccc([C@@H](C)CCNC)cc1	2327902536	GHCXXCYBSIJSQD-HNNXBMFYSA-N	247.426	4.522	0	10	BJAE	
CCCC(CCC)N[C@H](C)CCCC(C)C	19230361	ZBSCJXZRIQBGGD-CQSZACIVSA-N	227.436	4.760	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cc(C)cc(C)c1	20000332	RURJVQQXBVWZQD-SWLSCSKDSA-N	233.399	4.930	0	10	BJAE	
Cc1cccc(N[C@@H](C)c2cc(C)ccc2C)c1	20561612	DTTHDCIXHLDPCS-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCCCCCN[C@@H](C)c1ccc(C)c(C)c1	22150490	QYJLSOLMKFYIKN-HNNXBMFYSA-N	233.399	4.534	0	10	BJAE	
CCCCc1ccc([C@@H](NC)C(CC)CC)cc1	35493313	JYKUDUBOBUZBDK-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H](C)C1CCCCC1	37214025	DQQHZXJXXLOBBX-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CCCCCC1CCC(O)(c2ccccc2)CC1	39213068	UJQGCNBAGYHPHO-UHFFFAOYSA-N	246.394	4.645	0	10	BJAE	
Cc1nc(C)c(-c2ccc(C(C)(C)C)cc2)s1	57535261	WEAUWQLNVPKYIH-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)c1ccc(C)cc1C	69377146	ZKKAHTASYXDBSL-HZPDHXFCSA-N	247.426	4.923	0	10	BJAE	
CCCCC[C@@H](NCC)c1sccc1Cl	87622370	JJGRGDUHPQUESC-LLVKDONJSA-N	245.819	4.632	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC[C@@H]1C)c1ccccc1	88507120	RNBMOHIKQCIAMU-XIRDDKMYSA-N	245.410	4.696	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cc(C)cc(F)c2)CC1	91510991	ACBJHLZDSJDQLG-DZGCQCFKSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H](C)c1ccc(/C=C/CCC(C)(C)N)cc1	98128237	QXWAMQFDSGLBMC-IZPAUZPXSA-N	245.410	4.731	0	10	BJAE	
CCCCC[C@H]1C[C@@H](C)CC[C@@H]1CNC(C)C	131438175	JIIKQCMKLUAABQ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
Clc1ccccc1/C=C/c1ccccc1	137914057	WTVKFPGVKKXUHG-ZHACJKMWSA-N	214.695	4.510	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C[C@@H](C)CC[C@@H]1C	225991702	HQDJTMDFBRLDPQ-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](c1ccsc1C)C(CC)CC	227913206	DCZCBJOVLFWGJZ-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@@H]1CCC[C@@H](CC)C1	228767140	PENMUBXOYNRYNA-QXSJWSMHSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1NC(C)(C)CC(C)(C)C	235286594	IIIUVDGBVNIVMV-OLZOCXBDSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H](C)c1ccccc1	300473221	VHZBYFWASWDNLT-BFYDXBDKSA-N	247.426	4.595	0	10	BJAE	
CCCCC[C@](C)(O)CCCC(C)(C)C	300880702	OMYRMJOWGHEBAQ-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)c1ccc(C)c(C)c1	302327423	RRZBHADYUZKZMX-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)CCC(C)(C)C)cc1	302482455	HSNXZLHPLBBUDE-CABCVRRESA-N	247.426	4.860	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C(C(C)C)C(C)C	304330363	DGBAPRJGVZQLDW-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CCCCC[C@H]1N[C@H](C)CCC(C)(C)C	306054063	QIJCRWHRQKGQAV-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CSc1sc2cc(Cl)ccc2c1Cl	306605264	ZZEDXMIUASXYBV-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
Cc1cc(Cl)c2scc(Cl)c2c1	307373633	RZXUVRMGIWBBLA-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CSc1cc(C)c2ccsc2c1Cl	307580503	XOQMQRQLVIPEIE-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](CC1CCCCC1)NC	308064009	KFXGTIPNQHLCPP-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCC)c1sccc1F	309221829	GWZBPXXQMHIJQL-LBPRGKRZSA-N	243.391	4.508	0	10	BJAE	
CC1CCC(C[C@]2(O)CCCC(C)(C)C2)CC1	310115378	GXPPHLMXZWHVBT-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](C)NCCC1(C)CCCC1	310334230	CGLBWNKCFQOIQF-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(O)CC1(C)CCCC1	310415733	PNNZCUKGTIERGM-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@](O)(C[C@H](C)C2CCCCC2)C1	310462361	FRDADRMVQIQSBH-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)c1occc1C	311127210	VOHZNVAEVQSEPW-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CC(C)(C)CCCN[C@H]1CCCC12CCCC2	313267511	KKTYPVJOSILVND-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CCC)CC[C@@H](CC)C1	318154690	CSLQIWLFDLXNAP-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](c1ccc(CC)cc1)[C@H](C)[C@@H](C)CC	319100267	DZCQLYAVYSBFID-VBQJREDUSA-N	247.426	4.582	0	10	BJAE	
CCCOc1ccc2c(ccn2[C@H](C)C(C)C)c1	319589387	UTQYNUHUVPHULB-CYBMUJFWSA-N	245.366	4.647	0	10	BJAE	
CC1(c2ccc(C(F)(F)F)cc2)CCCC1	383485686	QMCJNKVUPXVUTE-UHFFFAOYSA-N	228.257	4.537	0	10	BJAE	
C1CCCC(CN[C@@H]2CCCC23CCCC3)CC1	389491500	SMMWNBNWIMCFFO-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)C1CCCCC1	393849546	UXJBGKOPBBXHAQ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
O[C@H](CCC1CCC1)c1csc2ccccc12	398573953	JCBYNKODUPPTOO-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC[C@H]1CCCC[C@H]1CC	401935236	DZJQXDNJPZAMLJ-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](NCCC(C)(C)CC)c1cccc(C)c1	686312159	HIKAQXMWMFVESD-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCCC1([C@H](O)[C@@H]2CCCC[C@@H]2CC)CCC1	686922535	YCRATWJKWGJOET-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@](C)(O)CC2CCCC2)C1	689769613	UOCJXDJHZZTXFR-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC(C)(C)CC(C)(C)C	691096459	AJFKXZKOCSHSQQ-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC12CCCC2	694351445	QEFLAFNAHCBKPK-OAHLLOKOSA-N	243.394	4.692	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1ccc(C)cc1C	696661625	USHRFDUICAMUIZ-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
CC(C)=CCCCc1cc(C)cc(C)c1	698083987	LRQGCPHEJIIPPS-UHFFFAOYSA-N	202.341	4.592	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C(C)(CC)CC	701097953	ZWZCGEMWABDWEQ-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
CCC(C)(CC)C(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1N	701153481	GOBSJSPETFZESS-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@]2(C)C[C@H]2C)cc1	704338294	VMDJVSGABZNOIS-UWWPHRKUSA-N	245.410	4.507	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CCCC12CC2	706295034	PAOPOLUAFWTELT-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCC12CC2	707156490	LFGCKGGYKHDJGU-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)[C@@H](C)CC(C)(C)C	708299700	GBNTZRFYCMKKIN-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H](C)CC(C)(C)C)C1	709255677	AMZZTCIJSRVGJG-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@H](C)CC(C)(C)C)C1	709271634	JUUXBFVWSHFZJX-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C[C@H](C)C(C)(C)C	710788870	SPAOTVCMVZGEJE-ZNMIVQPWSA-N	242.447	4.882	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC[C@H]2CCCC[C@@H]2N1	712351705	IFBPSZNWVJCGOP-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCC[C@]1(O)C[C@@H]2CCCC[C@@H]21	712384013	IIFWQPJVVUIYGF-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
C=C/C=C\CCc1cc(C(C)(C)CC)ccc1O	713680825	CKGOZXNCUFNNCC-FPLPWBNLSA-N	244.378	4.755	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CC[C@H]2CCCC[C@H]21	714315116	LTDUAJYNNALWHC-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCCc1ccc2c(c1)CCC2	718649163	UIZPFZIQUUTXOO-UHFFFAOYSA-N	228.379	4.854	0	10	BJAE	
Cc1ccc(C)c(NCc2csc(C)c2C)c1	1178122914	CVUPHDFZRFYPAA-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
C1CCC(CCN2CCCC3(CCCC3)CC2)C1	1196039905	QWGDFOAJKQAFRA-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
C[C@H]1CC[C@@H](Sc2cc(Cl)ccc2F)C1	1473029022	CIZCSYAVQKXZQN-WCBMZHEXSA-N	244.762	4.760	0	10	BJAE	
CC[C@H](C)CCC(=O)Nc1ccc(C(C)C)cc1	1522816430	BPLFCBUBYMSBAW-ZDUSSCGKSA-N	247.382	4.575	0	10	BJAE	
CC(C)C[C@H](C)CSc1ccc2c(c1)CCC2	1640816164	DAQLQEOYLLGOBM-ZDUSSCGKSA-N	248.435	4.950	0	10	BJAE	
CC(C)c1cccc(NCc2ccccc2)c1F	1893709067	IHEJUXREDKTHGF-UHFFFAOYSA-N	243.325	4.561	0	10	BJAE	
CCCCCC(=O)c1c(F)ccc(C)c1Cl	1899523240	XHOUDQUABSIEAD-UHFFFAOYSA-N	242.721	4.551	0	10	BJAE	
Cc1ccsc1-c1nc(CCC2CC2)cs1	1901907391	FSCYPYDKLCHWLG-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
CCc1cscc1N[C@H](CC)CCC(C)C	1902377219	RJIOZESONOFXOC-CYBMUJFWSA-N	239.428	4.937	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)C1CCCCC1	1905363080	SRRCTICNOWVKTM-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)C1(C)CCCC1	1905383981	VJMXOVBJWWHTIQ-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)C[C@@H]1C[C@H]1C	1909232457	YTPSYAPQUFDNOV-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)Nc1ccnc(C2CC2)c1	1913021292	SVEYOWWOCLRXTM-GFCCVEGCSA-N	246.398	4.586	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)CC[C@H]1CCCC(C)C	1916013965	JVJANWYLXKHKFE-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc([C@](O)(CC)C(C)(CC)CC)cc1	1920056021	TUMAXIQNAMZHPU-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1CC(CCC)C1	1921293818	FWFOBZFGLWLEAP-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@]1(N)CCCCC12CCCC2	1921566067	ZVJTUOYHSAYWQN-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@H]2C=CCCCC2)[C@@H]1C	1925946619	VFNBSHNAHBOCDW-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@]1(CO)CCC[C@H](C)CC1	1939901068	XZXWVIKNSPMQSF-LSDHHAIUSA-N	226.404	4.536	0	10	BJAE	
CC(C)NCC1(CCCC2(C)CC2)CCCC1	1940870396	SRYOLBRFVIPWRV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(CCCNc2cccc(C(F)F)c2)CC1	1940879871	FBFDQFVEFGHUFI-UHFFFAOYSA-N	239.309	4.616	0	10	BJAE	
CC(C)C[C@@H](O)CC1CCC(C(C)(C)C)CC1	1941156855	LNVGXTUIAQYVCM-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H]([C@H](C)CC(C)C)[C@H](CC)C(C)C	1941271015	AXVAWOHYBRALTR-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H]([C@@H](C)CCC(C)C)[C@@H](C)CC(C)C	1942658125	PAGKTDPLWNLCNU-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@H](C)C1CC1	1944524573	LAURFNSPWHRIIV-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)CC1CCCCCC1	1944791445	UQJOEPPBPKJEJK-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCCNC1(C2CCCC2)CCC1	1945293455	LVOGYISCXUPXAA-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)CCCCCC2CC2)C1	1945580696	AEQSWWNZPVTIHB-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCC[C@H]2C(C)C)c1	1947459656	CCIBPALIMLYNGY-HOTGVXAUSA-N	231.383	4.540	0	10	BJAE	
CCCNC[C@H]1CC12CCCCCCCCC2	1947878566	JTGDOBSSMSZALO-OAHLLOKOSA-N	237.431	4.517	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)[C@@H](C)CC(C)C	1948324469	AAMADTWHJRYVGP-WCQYABFASA-N	237.362	4.617	0	10	BJAE	
CCCN[C@@H](CCCC(F)(F)CC)CC(C)C	1948849039	QGKIIBKYQWTJHB-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC1(C[C@]2(N)CCCC[C@H]2C(C)(C)C)CCC1	1948973880	YLSBDFMPRPYMON-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@@H]1C=CCCCC1	1949140547	VNCNYVOZAAFCAM-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](CC[C@H]1CCC2(CCCC2)C1)NC	1949552524	RUCPTPHXFXDLEG-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CC1(CO)CCCCC1	1950373774	WACOSMIRPHWRPZ-CABCVRRESA-N	238.415	4.536	0	10	BJAE	
CCC[C@@H](CC)NC1CC2(CCC(C)CC2)C1	1950545935	UYQXPGRJXHHZSV-PYEOEOCKSA-N	237.431	4.514	0	10	BJAE	
CC1CCC(NC2C[C@@H]3CCCCC[C@H]3C2)CC1	1966074213	PXHHMAVENPZFCZ-PYBGIAKNSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](COc2ccccc2C(C)(C)C)C1	1968366975	QCUQPZQIZNQQBV-KGLIPLIRSA-N	246.394	4.799	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CCC1CCCC1	1970730553	UCUORDIELFLHMJ-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CC1(C)CCC(NCCC2CC3(CCC3)C2)CC1	1973744639	PFFADKGYKMMLHS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(C)c(Cl)c1	1989817781	AFLVNNXBOXWBER-NSHDSACASA-N	239.790	4.885	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@@H](C)C1)C1(C)CCCCC1	1995990495	HYMVMWYBDSCABW-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CC)[C@@H](CC)C1CCC(C)(C)CC1	1996595984	ZWJRSFDZFCHKGG-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)CC2CCCC2)C1	2000174229	QBLNTLUAKRDMHO-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CCC1	2000194814	IICCICWKNCRXIY-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)CC1CCC1	2000499562	LTQGYAJBWGAOPF-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@H]1CC12CCCC2	2001256909	SQWXXQGUVOZXEM-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCCCC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2001495267	TYJQMJGJBDWKJG-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CC1(CC(=O)CCCCCC2CC2)CCCC1	2003179146	LCMPIVUNVXUGAV-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)CC2(C)CCCC2)C1	2003179446	OKMRBQVPTDFRNX-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@H]1CCCC2(CC2)C1	2003201858	ZBMKDPZCKCVNTE-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CCC([C@H](O)CC=C(C)C)CC1	2004232934	WLIBOYZPKCAIQZ-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@H](O)C2(C)CCCCCCC2)C1	2004923874	VMUSRHXIYMPAFC-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C1(C)CCC2(CC2)CC1	2007691561	MUZKNPLQSKMFEZ-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC([C@@H](C)C[C@@H](C)CCO)CC1	2008725777	CYYNXDGBNJXCEP-FXQLRMTLSA-N	240.431	4.638	0	10	BJAE	
CC=CCCCc1ccc(C(F)(F)F)c(F)c1	2009591235	VERDCCKOWLMPPB-UHFFFAOYSA-N	246.247	4.743	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCCCC12CC2	2011277963	PKFNINYGWKEUJF-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
CC=C(C)c1ccc([C@@H](CC)NCCC)cc1	2012295532	BKQRFQSFYYJXCE-MRXNPFEDSA-N	231.383	4.561	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@](CC)(CNC(C)C)C(C)C	2012424826	GYIFIFAEBLYARG-XHSDSOJGSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)C[C@@H](C)CC(C)C	2013236678	LBXKFAHUOIBQDF-GOEBONIOSA-N	239.447	4.569	0	10	BJAE	
CC(C)(C)CC1CC(O)(CC2CCCCC2)C1	2014668302	KKFSWBLTMPFPSZ-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)CC1(CNC(C)(C)C)CCCC1	2015394090	KVONLVIPJPKJLN-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CCCCC[C@@H]2N)CCC1	2017146112	PNPNGTBTHNNAGH-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)CC1(C(C)(C)C)CCC1	2017148986	VFYHNZGTDKIPQD-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1(C(C)C)CCC1	2017489281	GBQSWUJAZMTNNT-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C[C@@H](O)C2(C)CCCC2)CC1	2017651285	RLTDDOMEKLJGOT-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC[C@@H](C)N2)CC1	2017732892	FYSATZDPVDZOMN-LMPOIIKSSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1C=CCCC1(C)C	2018130523	JLZISQVPMGLTIJ-GJZGRUSLSA-N	237.431	4.680	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC1CCCCC1	2018184905	LBLFJTPASJFSQM-INIZCTEOSA-N	239.447	4.857	0	10	BJAE	
CC(C)CCCN(C)[C@H](C)C1CCC(C)CC1	2019299571	KORCQPLAUPGYDJ-HWOWSKLDSA-N	239.447	4.569	0	10	BJAE	
CC(C)C1(CN(C)CCCC(C)(C)C)CCC1	2019327823	KVGAOPWIRKZLMB-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(O)CCC[C@@H](CC)CC1	2022448369	NJRYLMMMNOGQNC-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(O)C[C@@H]1C[C@@H]1C1CCCCCC1	2022455359	VRJXSFNFZRJZKF-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)cc(NCCCCC(C)(F)F)c1	2023290326	PCMDOHCKRHZQCM-UHFFFAOYSA-N	241.325	4.541	0	10	BJAE	
CCCC1(CC(=O)CC2CC(CC)C2)CCC1	2025426528	JMKUZZBNYISQMP-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1[C@H]2CCCC[C@H]21	2026065382	ZRFKHMLYIQJXAY-TTZDDIAXSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@@H](C)CC(C)C	2026164311	RRWCFTUQSJTCLR-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC1(C[C@@]2(N)CCC23CCCCC3)CCCCC1	2027310869	FQNJQGADTXYLMW-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC(C)(C(=O)c1cccc(C2CCC2)c1)C1CC1	2028107696	PSJVZIDMVRUCRR-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)CC1CCCC1	2028930859	PXQRMIJJUQOXEG-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCc1ccccc1CNCC[C@@H](C)CCC	2029986160	YQPJEAGIIXIEDE-HNNXBMFYSA-N	247.426	4.555	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CCC2(CCCCCC2)C1	2032381824	NLLWZWSPIBGJNH-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
O=C1[C@H]([C@@H]2C=CCCCCC2)C[C@H]2CCCC[C@H]12	2034266221	XBMAKBULIUTJMK-WCVJEAGWSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC)(C[C@@H]2C=CCCC2)C1	2035601445	PBWUEJIXIVPTNO-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCC1)C(C)(C)C1CCCC1	2035603035	YAYQZKOVLIBTNS-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC1(N)C[C@H]2CCCCC[C@@H]2C1	2035853045	PRJXNTCBXRJWBH-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@H]2CC3CCC2CC3)C1	2036489368	QEPZPXWBAZKLLA-DJXCBJAISA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC(N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2036659613	DAQZYUKIBRSJAE-WHHARQNVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1n1ccnc1C1CCCC1	2036777022	VHCVHLRALRSCNM-HIFRSBDPSA-N	246.398	4.682	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1ccc(CC(C)C)cc1	2037093438	FBONPERYMLQWJB-RHSMWYFYSA-N	247.426	4.711	0	10	BJAE	
CN[C@@H](CC1CCCCC1)[C@H]1CC12CCCCC2	2038999281	JNTJNFQROLDNFG-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCNC1CC2(C1)CC1(CCC1)C2	2039463843	LRAYGKWOYRGWIY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)c2cccc(C3CC3)c2)C1	2040149496	LWQNXDFKADAMHF-OLZOCXBDSA-N	242.362	4.573	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CC[C@H](C)C2)C=CCCC1	2040182031	NCIKYXDWQQWOJR-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@@]1(C)CC=CCC1	2042023659	DLCSDVXESVAWIG-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)[C@H]2CC=CCC2)cc1	2042092435	WISYSNLSOVXKIC-ZDUSSCGKSA-N	242.362	4.523	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@H](C)c1ccoc1	2043062867	RDXGGTMZAQWJOB-VNQPRFMTSA-N	249.398	4.535	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CC1CCC=CCC1	2045682743	QFEBXAXOVYLEQX-YOEHRIQHSA-N	246.394	4.684	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047409407	NWDJTJHPSXSKSI-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1N[C@H]1CCCCC12CCCCC2	2047591597	ZTYAGOCQCCNKJK-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C1CC1)[C@@H]1CCCC2(CCCCC2)C1	2048128892	WSLIKLQEMOBCKC-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(CC(=O)C2[C@@H]3CCCCC[C@@H]23)CC1	2048370594	KEPYWVJROLVODS-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1[C@H]2CCCCC[C@H]21	2048384312	PQVIWYLAQBBAPG-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)C[C@@H]1CCCC2(CC2)C1	2049846508	TXJJTVOVMPBOJQ-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC2CCC3(CC2)CC3)[C@H](C)C1	2049853461	DYTRZKKCOWLBMM-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CC(C)(C)C1)[C@@]1(C)C=CCCC1	2050005257	FDHDUPBZEOTGIS-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](N(C)C2CCC3(CCCC3)CC2)C1	2051646400	SFESBYANIGHGAS-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CCCNC[C@@]1(CCC2CCC2)CCCC12CC2	2053353371	BITGMCMFPHIPDI-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H](C=C1CCCC1)C1(CC(C)C)CCCC1	2056879953	XYXMYMGYGMVYDD-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1=CCC(C)(C)CC1)[C@@H]1CC1(C)C	2061088228	LOLPKTUHAXSPGY-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@]23CCC[C@H]2C3)CC1	2061605313	FOKWSHGLFQBLRG-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC2CC(=C3CC3)C2)C1	2061704458	RIBFFYZVEWUVJO-MLGOLLRUSA-N	246.394	4.662	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1Cc2ccccc21	2061877288	YDBMAWVVOHBSET-CQSZACIVSA-N	244.378	4.502	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCCCCC23CC3)C1	2062019439	VZSFKHPWDBFXES-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CC1([C@@](C)(N)CC23CCC(CC2)C3)CCCCC1	2065334733	HRDVTNVEEIPTFW-WIHSUSGWSA-N	249.442	4.645	0	10	BJAE	
CC[C@](O)(CCC(C)C)c1ccc(C(C)C)cc1	2066000184	PBEGMKCPTKFXFU-KRWDZBQOSA-N	248.410	4.844	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)C12CCC(CC1)C2	2070414615	VOYQLHJCNXBIOH-XNIRIUNOSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CC[C@H]1C1CCC1	2071794945	PTIZVIJZWZGEJG-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC1CC2(C1)CC21CC1	2072228066	KKCOUKKKTNGTGF-SFYCDEOASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CCCCC12CC2	2072422654	DVKHXVZGXAKJAE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@H]2CC23CCCCC3)CC1	2072880815	ABKGTQLPXQAHAF-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](Cn2ccc3ccccc32)CC1	2072882026	QMFKUYMNMLLKGD-SHTZXODSSA-N	241.378	4.858	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)c1c(C)cccc1C	2074635012	XKWQBQOCXPNMHZ-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCCC1(CC[C@H](NC)c2ccccc2C)CC1	2074635387	BXPUDUQUQMJMEG-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CC1(C)CC[C@@]2(CCN2[C@@H]2C=CCCCCC2)C1	2074800275	UFINZOSXJNBWOR-NVXWUHKLSA-N	247.426	4.530	0	10	BJAE	
CCCCN(C1CCCCC1)[C@H]1C=CCCCC1	2076588100	VAHONMUWTLPRSP-INIZCTEOSA-N	249.442	4.920	0	10	BJAE	
CC1CCC(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1	2079490743	DMTAJLQAEIPATE-DISOXQEGSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CNc1ccccc1C1CCC1	2079627568	VJGGJMZDMPDJQQ-GOEBONIOSA-N	243.394	4.658	0	10	BJAE	
CCCCc1ccc(NC[C@H]2C[C@H]2CCC)cc1	2079656057	LOYVILXOYQUJFQ-HZPDHXFCSA-N	245.410	4.877	0	10	BJAE	
CCCC[C@@](O)(CC)c1cccc(C(C)(C)C)c1	2083543687	JYYDHJZBFGPSJF-KRWDZBQOSA-N	248.410	4.772	0	10	BJAE	
c1ccc(-c2cccc(NC3CC4(CC4)C3)c2)cc1	2131111790	LIARSGLYSYVPIV-UHFFFAOYSA-N	249.357	4.708	0	10	BJAE	
CN[C@@H](CCCCCCCC1CC1)C(C)(C)C	2213575916	KWFLRHVUPOPBAB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CC1CC=CC1	2214995655	AUXANNOSORNONC-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC1(N)CCCCCCCCC1	2215251560	OMNSVIZGZDTXKE-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)N(C)CC1(C)CC(C)(C)C1	2215442834	VKWGAUAYPAIVSM-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CC1=CC[C@@H](CNCCCCCC(C)C)CC1	2215815763	HICKJVASLOSSOD-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@]1(C)CC=C(C)CC1	2215823181	FUYZZJQNXMAZFK-IJEWVQPXSA-N	234.383	4.518	0	10	BJAE	
CC[C@@](C)(CCCCC(F)F)CNC(C)(C)C	2216426716	DMBWTLHETZCMJT-AWEZNQCLSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)C[C@@]1(CN[C@H](C)CC)CC=CCC1	2217131586	XZKCLJCZJZAONU-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NCC1([C@H](C)CCC(C)C)CCC1	2217148513	DKNYBDHOMKEMNE-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CCCC(C)(C)C)CNC1CCC1	2217155608	DHBPUGDIXICSAA-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
N[C@H](C1CCCCCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218350391	LAWLGOJAMMGJKW-YALNPMBYSA-N	249.442	4.501	0	10	BJAE	
CCCCC1(NCC2C[C@H]3CCC[C@H](C2)C3)CC1	2218354094	ORQXIJGKYOVURE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](CCCCC2CC2)Nc2ccccc21	2220043726	DUFRUKXVFKFVBR-ZFWWWQNUSA-N	243.394	4.945	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC1(N)CC2(CCCCCC2)C1	2220877459	KIHDYXDVJPCLFM-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1(C)CC(C)(C)C1)[C@@H]1C=CCCC1	2221017127	SJLNUEJSFQEEHF-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc(NCC2(C)CC3(CCC3)C2)c1	2221025832	PJASZWXXNGOVRI-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CC1(C[C@@H]2CCCC(C)(C)C2=O)CC2(CCC2)C1	2221083900	NUTKBTRHUSZSII-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CC2(C)CC(C)(C)C2)C1	2221085879	KTCOXQDYJZHWIZ-TZMCWYRMSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2222981066	NDTQQVALIUCDQM-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C(=CCCCCCCC2CC2)C[C@@H]1CN	2223132700	NBCAZMABWXRODU-MRXNPFEDSA-N	249.442	4.668	0	10	BJAE	
C(CCCNC[C@]12CCC[C@@H]1C2)CCCC1CC1	2223151655	DJNUUGZONUFWMK-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC2CCC2)CC12CCCCC2	2223597766	RLWYGPZTFPKNBR-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CCCCCC(C)C	2244787960	LEDGYXXRVIBXCO-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@H]1CCC12CCC2	2247407003	KQUWEQINFFZDAJ-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H]1CC[C@H](O)CC1CCCCC1	2247417395	PMCLQDLWOBNHRH-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)CNC(C(C)(C)C)C(C)(C)C	2247729114	ZSNNFTKAPSTZAN-UHFFFAOYSA-N	241.463	4.719	0	10	BJAE	
CC=CCCC[C@@H](NC)c1csc(C2CC2)c1	2248045843	ABKGQVFHDXZKQD-CQSZACIVSA-N	249.423	4.632	0	10	BJAE	
CCc1cc(Cl)ccc1-c1ccc(C)cc1O	2248356134	HZGXFJKVAAAUQB-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CCCCC[C@H]1N	2248817445	VXWWSXRBSKPLIG-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1C[C@@H]1C1CCCC1	2250353650	WTHMSUWYOWDLGS-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC1CCC(CC)CC1	2250358886	PNJFYBJGCZIKTP-CKUJCDMFSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H](CC)CCC	2250359686	FGWJJYCTOHDOSV-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)[C@@H]1CC1(C)C	2250466476	FKSCWMVKDUNJPZ-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C(C)C)[C@@H](C)N	2250526276	BRTCOFFGPPKFOO-XHSDSOJGSA-N	241.463	4.848	0	10	BJAE	
Cc1cccc(NC[C@@]23CCC[C@@H]2CC3)c1Cl	2251166607	JZJBFRYJJBCMIM-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
C/C=C/CCC[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251708942	UTADUPGCCKQAAR-JLVOYYQZSA-N	238.415	4.556	0	10	BJAE	
CCC1(C[C@@H]2C(=O)C(C)(C)CCC2(C)C)CC1	2251724076	MUMMUNHFHZFHFX-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(CC2(N)CCC(C3CCC3)CC2)C1	2253663143	UAGQXKZXZRVUOC-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@H](N)CC1CC2(CCCC2)C1	2254121472	CPJWNTTXTMUSRH-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1	2254587545	QUNNBJOERVMRGM-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2C[C@@H]1CCC12CCC2	2254845327	HOUNJUTZORQVHA-KBPBESRZSA-N	241.378	4.556	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NCC[C@@H]1CCCC12CC2	2255292056	VDVPZOIXALBAGN-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@]1(C(=O)CC[C@@H]2CCCC23CC3)C=CCCC1	2255315272	LNKMKFDYEDFDQQ-HOCLYGCPSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc(CC/C=C/c2ccccc2)c(F)c1	2255358806	JRSHLOAQMPUGNQ-WEVVVXLNSA-N	240.321	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](C)(N)[C@H]2CC23CCC3)C1	2256489720	PVAXLIPFEZDQPT-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@@H](N)CCCCC[C@H]2C[C@@H]2C)c1	2257294632	XDTVBVYDGBYDLR-ZOBUZTSGSA-N	245.410	4.601	0	10	BJAE	
CCN[C@H](CCCCC[C@@H]1C[C@@H]1C)C1CC=CC1	2257304328	AVUVYTSKIHWQEA-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
C[C@](N)(C[C@]12CCCC[C@@H]1CC2)C1CCCCC1	2260644916	DURSRXRYGXSVOY-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)C[C@]12CCCC[C@H]1CC2	2260681993	FDPVINGHNBIASK-XJNFMUPTSA-N	249.442	4.501	0	10	BJAE	
Clc1ccc(C=Cc2ccccc2)cc1	2293546877	TTYKTMUIQGPMMH-UHFFFAOYSA-N	214.695	4.510	0	10	BJAE	
CCN[C@H]1[C@H](CCC(CC)CC)CCC1(C)C	2300686657	SXSCEGUQEOVZNE-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)C(F)(F)CC	2300687302	ASYUFHFRXXCWCO-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCC(C)=CC[C@@](C)(O)[C@H]1CCCC(C)(C)C1	2300871367	FFTHWDJHHSTMAC-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)CCC1=CCCCC1	2301922328	XVRUTYOVWJEWJT-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CCCCCCc1ccc2c(c1)COC2(C)C	2302225423	UZOKBVROCLEEQZ-UHFFFAOYSA-N	232.367	4.575	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@H]1CCC(C)(C)C1	2302713841	SGYAVHYRZDQNAD-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCCCCC(=O)CC[C@@H]1CC[C@H]1C1CC1	2303158860	NZHOBHHWGOCEIQ-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CC[C@H]1C(C)(C)C	2303419172	ZUSSBPFNMSTUGN-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CCNc2ccccc21	2307822946	ODHKBFOZMNZYOG-ZIAGYGMSSA-N	231.383	4.802	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H]1CC[C@@H]2C[C@@H]21	2308619694	FSPMKJZOJFQXFX-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1CCC[C@@H]2CC[C@@H]21	2309518478	WBCQNVLZSIYLPD-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CC[C@@]23CCC[C@@H]2C3)C1	2310388508	ZCJFZWWUYRKJDW-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H]2CC[C@@H]3C[C@H]23)CC1	2310925800	VAFCIFODYBAFIQ-PEHJNBARSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](O)c1ccc([C@@H](C)CC)cc1	2311503442	UFFYHQATUIKBIH-WBQNTZJQSA-N	246.394	4.670	0	10	BJAE	
C[C@H](CC1CCC1)N1CCC[C@H]1C1CCCCC1	2313604711	BDNAIIYRHNFNSR-PBHICJAKSA-N	249.442	4.610	0	10	BJAE	
CCc1cc(C(=O)C2(C)CC(C)(C)C2)ccc1C	2314699834	MYHULPDXKSTNSK-UHFFFAOYSA-N	244.378	4.566	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H](CC)c1ccccc1	2316501922	IHPXADLIHTZQRI-SJORKVTESA-N	245.410	4.515	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316692443	GYAUSADZZQENCX-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317114946	URDLEWCHJPAZJK-BPKGMFCQSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CCCC[C@H]1C	2317914771	GHOUQTACKJJIBH-DOMZBBRYSA-N	249.373	4.940	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H](C)[C@H](C)C(C)C	2317990157	JOMTYZSGURTGGE-VYDXJSESSA-N	247.426	4.656	0	10	BJAE	
CC(C)=C(C)CCNCC1[C@H]2CCCCCC[C@H]12	2318391963	HDIRMGUWPSNEJY-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CN(C)c1ccc(CCCC2=CCCCC2)cc1	2318565658	OFNZPRZYNLDKJP-UHFFFAOYSA-N	243.394	4.576	0	10	BJAE	
C1=C(CCCN2CC[C@@H]2C2CCCC2)CCCC1	2318575419	FCRJHUGHRQVJFK-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
CC1(C)CC[C@H](CN[C@@]23CCCC[C@H]2CCC3)C1	2319014845	YSAGQTBPDNURBQ-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@](C)(N)C2CC3(CCC3)C2)C1	2319034881	QPYFJORIHBHILI-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)C23CCC(CC2)CC3)C1	2319124819	XCRWZQOSXPBFEU-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)(C)C1)[C@@]1(C)C=CCCC1	2319320565	NZWXYLYUNJVLTQ-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CCCC[C@@H]3C[C@H]32)c1	2319332342	RWTAPIDAFDXLDI-FRFSOERESA-N	241.378	4.555	0	10	BJAE	
CC(C)(CCC(=O)C[C@H]1CC[C@H]1C1CC1)C1CC1	2319583540	MBRWRVSLUFGJMV-CJNGLKHVSA-N	248.410	4.598	0	10	BJAE	
C[C@]1(C(=O)CC[C@@H]2CC[C@@H]2C2CC2)C=CCCC1	2319697597	AATLCSJAIQAFKJ-UXLLHSPISA-N	246.394	4.518	0	10	BJAE	
CCCC1(C(=O)CC[C@@H]2CC[C@@H]2C2CC2)CCC1	2319728131	VQJRKDYUANNRQB-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@@H]2CC[C@@H]2C2CC2)C1	2319732214	ZJBUSCYTOPLFRQ-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)CC2CCCCC2)CC1	2320388307	OREBTVACRIPFDB-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@](CN)(C2CC(C(C)(C)C)C2)CC1	2320396236	HTGDWNOTECZOKL-VMBOVVBDSA-N	249.442	4.524	0	10	BJAE	
C1CCCCC(N[C@@H](CC2CC2)C2CC2)CCC1	2320526901	FYWLGAHWZRZIES-KRWDZBQOSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(C(C)C)c(C(N)(C(C)C)C(C)C)c1	2327678016	POSNAMGSAHWMMQ-UHFFFAOYSA-N	247.426	4.584	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CNC)c1cccc(C)c1	2328195818	HFIKBZJZLNEGTI-WBVHZDCISA-N	247.426	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1cc(C)ccc1C	20482632	DTDPZDPCOGFCBY-HOCLYGCPSA-N	233.399	4.520	0	10	BJAE	
CC(C)C[C@@H](C)N[C@H](CC(C)C)c1ccccc1	37118109	KWJNPLZTWKLZJJ-NVXWUHKLSA-N	247.426	4.798	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)CC(C)(C)C	68848843	AEYCGRLAUZSSAK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H](c1ccccc1)C(C)C	70106295	POUATTBHZZNKML-IAGOWNOFSA-N	245.410	4.552	0	10	BJAE	
CN[C@H](c1ccc(C(C)(C)C)cc1)[C@H](C)C(C)C	70123079	SJLRZOOHTLEEIR-CJNGLKHVSA-N	247.426	4.537	0	10	BJAE	
CCCCC[C@H](CC)NCCCc1ccccc1	75437764	NSSOHXHUZAYPAL-KRWDZBQOSA-N	247.426	4.568	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC(C)(C)C)NC	82674344	VWPLPPVXLGOWFH-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Oc1ccccc1Cl	85149817	BUKCGPLNDBKAGQ-AAEUAGOBSA-N	238.758	4.688	0	10	BJAE	
CCC1CCC([C@@]2(N)CCC[C@H](C)CC2)CC1	86883584	GMSHOHRUHFCNBV-SLTXQBBLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1ccc(C(C)(C)C)cc1	87176038	IIVWMLBCNIDUQF-CJNGLKHVSA-N	248.410	4.844	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)c1cscc1C	87288808	SVBZJDXYOMIYEX-SMDDNHRTSA-N	239.428	4.533	0	10	BJAE	
CCCC1CCC([C@@H](N)c2ccccc2C)CC1	87962637	FPCRFRYHFXSAAS-VMBOVVBDSA-N	245.410	4.601	0	10	BJAE	
CCN[C@@H](CC)C1CCC(C(C)(C)CC)CC1	92595828	NHMJJJYARDYQHK-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@H](CNC(C)C)c1cccc(C)c1	93126869	NGHZRWIDXZQGOP-RHSMWYFYSA-N	247.426	4.513	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@H]1CCCC[C@@H]1C	104004555	XZRYLLQYCPNZAM-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)c1ccccc1	109697054	NWKPOLWUSGYRML-GOEBONIOSA-N	234.383	4.501	0	10	BJAE	
CCCC[C@H](CC)CC(=O)Cc1cccc(C)c1	109709746	CFZXAUVVPGYBCG-HNNXBMFYSA-N	246.394	4.713	0	10	BJAE	
C[C@@H](Nc1ccc(C(C)(C)C)cc1)C1CCCC1	109751738	SBTSZXPMOAZOCG-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(Cl)nc1	122794400	KWZSRYLXUCAGLK-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CC(C)c1cnc(-c2coc3ccccc23)s1	132155784	HPLCQOHPSWGTHG-UHFFFAOYSA-N	243.331	4.680	0	10	BJAE	
Cc1ccc(C)c(-c2cc(C)ccc2Cl)c1	147225145	GCHKWZKWDZQXTA-UHFFFAOYSA-N	230.738	4.932	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)CC1CCCCC1	148224661	ZOJOHFYMUVRNFQ-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
Cc1ccccc1C(=O)C1CCCCCCC1	158846174	JAWDKVDGVZWLPY-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CC1CCC([C@@H](O)C2CCCCCCC2)CC1	158947371	XMZRXWJVXRLTGP-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC1CCCCC1	160994563	BIFXUJOGYOJZNP-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)C[C@](C)(CNC(C)(C)C)C(C)C	164417523	FJGGFKDYMVKQHA-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)C[C@@H](N)c1ccc(C)c2ccccc12	167342329	DXRCZOYTSCBVHC-YVEFUNNKSA-N	241.378	4.584	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@@H](C)[C@@H](C)C1	221374095	CDFNDGLIHJBWCS-XFIYOXNOSA-N	239.447	4.616	0	10	BJAE	
Cc1cccc([C@@H](C)NCCCC2CCCC2)c1	225111079	LISJGEYMZDRHLG-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CCCC(C)(C)C1	225981517	YOQLIVKUYDDTKM-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CC[C@H]1CCC[C@H](CC[C@@H](NC)C(C)(C)C)C1	227182161	UYFAZYQHUHMVKO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](O)c1cccc(C)c1C	229348780	XKPZKWZVRQGZOA-INIZCTEOSA-N	234.383	4.553	0	10	BJAE	
CCCCCC[C@@]1(N)CCC[C@H](C(C)C)C1	231014308	ABWSDMKSWIDCCP-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(C)cc1Cl	232965927	AUUVCBWOHNBGKN-AWEZNQCLSA-N	240.774	4.652	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1ccc(Cl)o1	232997491	BRLAZXKKZYRECL-GHMZBOCLSA-N	243.778	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H](C)CCCC(C)C	251934654	ZPPHJXLXHISXNP-BZUAXINKSA-N	239.447	4.760	0	10	BJAE	
CC(C)c1c(Cl)cnc2ccc(Cl)cc12	258322266	RQZVBJCAHHXPLK-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CCc1ccsc1C(=O)CCCC(C)(C)C	300886878	PECRGVWIFZMBFW-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCCC(C)(C)C)NC	300979810	UCWAOPBUNFLXEU-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@@H](C)Cc1ccc2c(c1)CC[C@@H](C)N2	302374950	OYXOUWNBGIYMOZ-ZIAGYGMSSA-N	245.410	4.658	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)Cc1ccc(C(C)C)cc1	306022335	OEXKSVOKTTZNTF-PBHICJAKSA-N	247.426	4.506	0	10	BJAE	
CC(C)C[C@H](C)C1(O)CC(C)(C)CC(C)(C)C1	310523891	VSXXZZJGTYHSII-ZDUSSCGKSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)C)C(C)(C)C(C)(C)C	310540476	CBCZBULLFAIHRX-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
C[C@H](CC1=C[C@H](N)CC(C)(C)C1)C1CCCCC1	310885824	SKUCIUOYYWZSLP-CJNGLKHVSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CC2(C)CCCC2)cc1C	311192910	FDUQJWGADFKYAX-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
CNC[C@]1([C@H]2C=CCCCCC2)CCCC[C@H]1C	316836693	CXRFOMDLZMISNE-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](c1ccccc1CC)[C@H](C)[C@@H](C)CC	320057359	MAZIUZSLVYZEOT-VBQJREDUSA-N	247.426	4.582	0	10	BJAE	
CCN[C@@H](CC)CCCC/C=C/c1ccccc1	324225549	ZOARYKVFTCNPTI-UEICXMAYSA-N	245.410	4.648	0	10	BJAE	
CC(C)CCCCCNC[C@@H]1CCCC[C@@H]1C	383222482	FUCCFWCZMTWKFY-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1ccccc1C(C)C	383267817	IWJIRBCFLDPOTB-OAHLLOKOSA-N	233.399	4.507	0	10	BJAE	
CCCN[C@H](CCCCCC(C)C)[C@H]1C[C@H]1C	383303550	UIVCKSNQJARCRQ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H]1CCC[C@H](C)C1	383966912	YAVDTNMWCQVPBK-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@H]1CCCC[C@@H]1C	384516767	IVHIVCMKMYNSCG-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)NCC/C=C\CCC1=CCCCC1	384970894	PETHTHSZSHCOQN-PLNGDYQASA-N	235.415	4.601	0	10	BJAE	
CC1(C[C@@H](O)c2cccc3ccsc23)CCC1	386307402	LJILOLRULIQRKB-CYBMUJFWSA-N	246.375	4.515	0	10	BJAE	
CC1(CNc2ccccc2Cl)CCCCC1	394648525	NXVZPVVJMLJCFN-UHFFFAOYSA-N	237.774	4.722	0	10	BJAE	
CC[C@H](C)c1csc(-c2sccc2C)n1	395526475	KZNKTWDROXGPJH-QMMMGPOBSA-N	237.393	4.694	0	10	BJAE	
CCc1cc(C(F)(F)F)cc2sc(C)cc12	396301775	KHDWMTZSZNYUEY-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCc1sc2cc(C(F)(F)F)ccc2c1C	396311828	XGMHFUDPYRJHTP-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC(C)(C)c1ccc(OCCC2CCC2)cc1	398886943	CHLPNTITHJUWBR-UHFFFAOYSA-N	232.367	4.553	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)c1ccc(C)cc1C	401506264	DFAVDJIJVCSVHK-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NCCC	402173622	YDWPMKRRTMUADN-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@@H]1CC=CCC1	402231788	YTIKDXVSQWEMQD-WBVHZDCISA-N	247.426	4.601	0	10	BJAE	
C[C@@H](CNc1ccc2c(c1)CCCC2)C(C)(C)C	404664331	YCXHQMSWDFSCEF-ZDUSSCGKSA-N	245.410	4.660	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C[C@@H](C)C(C)(C)C	688370327	UNJJEAWJTJRYQY-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Clc1ccc(NC[C@@H]2CC3CCC2CC3)cc1	691705838	XSVBAMIJWJTGPF-BPCQOVAHSA-N	249.785	4.578	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1CCCC12CCC2	694710187	QLJMRUIZNJRINS-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCC[C@H](C)c1ccccc1	695098701	MYKORUXDURFRDQ-LSDHHAIUSA-N	247.426	4.595	0	10	BJAE	
C[C@H]1CC(C(=O)[C@@H]2CCCC3(CC3)C2)C[C@H](C)C1	695914675	CVHLTAAKSBRKMU-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC(C)(C)C(C)(F)F	697030251	IDHFTJLDGSSKPY-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)c1sccc1Cl	704610060	HRZONPMLKRJMEE-WCBMZHEXSA-N	246.803	4.507	0	10	BJAE	
CCCC1CCC(N)([C@@H]2CCCC[C@H]2C)CC1	704833452	RJXUFYAXTNGTPK-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)C1CCCCC1	704873531	NBWPMUOKRLVBMZ-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)CCC[C@](C)(N)[C@@]12CCCC[C@H]1C2	709260178	DWPWFLUAIVUHLQ-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2cccc(C3CC3)c2)[C@H](C)C1	709654909	QNELXAZRKJQQOS-XNJGSVPQSA-N	243.394	4.801	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCc2cc(N)ccc21	711275125	RYJSEBNUTHIMHV-LBPRGKRZSA-N	231.383	4.515	0	10	BJAE	
C[C@@H](C[C@@]1(N)C[C@@H]2CCCC[C@@H]21)C1CCCCC1	712389093	PCSFCPXGRXUDIK-QSPRXWTASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)CCCC(C)(C)C	713052011	WDIXRUFGRLHYRD-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)C[C@H]1C[C@H](C)c2ccccc2N1	713137232	XKLACSIQMZHTRS-QWHCGFSZSA-N	231.383	4.801	0	10	BJAE	
CC(C)=C(C)CCNc1ccc(C2CC2)cc1	718645315	TWMAUSYXVKMKQP-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNCC)CCC=CCCC1	719089282	LBNWSOVIAIWSPP-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H](C)C1CCC1	720986530	FYVYILIDTBUSPE-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)CC[C@H]3CCCC[C@H]3C2)C1	723610753	BEDKEZBWKVGZJP-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
C=C/C=C\CCS[C@@H]1CCCc2ccccc21	1307293688	PVTRLUVTVMPPED-MJSXRHKHSA-N	244.403	4.930	0	10	BJAE	
CCCC1CCC(N(C)C[C@@H]2CC=CCC2)CC1	1560803933	KODVPINRWSYGML-AQFXKWCLSA-N	249.442	4.633	0	10	BJAE	
C=C/C=C\CCN(c1ccccc1)[C@H](C)C(C)C	1620575403	OXWJUNDVQMAYAG-MWWKQMNYSA-N	243.394	4.670	0	10	BJAE	
CC(C)c1ccccc1CSC1CCC1	1641145299	BDRYRIRGAXNCER-UHFFFAOYSA-N	220.381	4.596	0	10	BJAE	
Cc1ccc(CCSc2ccccc2C)cc1	1643655844	AUSJWRFGOSUFOB-UHFFFAOYSA-N	242.387	4.638	0	10	BJAE	
CC(=CCCNCC(C)C)C[C@@H](C)CC(C)C	1879302826	HIULOSIMQMCRTJ-INIZCTEOSA-N	239.447	4.641	0	10	BJAE	
CCCCC[C@@](O)(CC)[C@@H](C)CC1CCC1	1899366744	BUSWTUMAKLHGEH-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)c1nc([C@@H]2CC23CCC3)cs1	1903454051	QRPLCKJBUCMURH-NSHDSACASA-N	235.396	4.704	0	10	BJAE	
Cc1sccc1OCC[C@H]1CCC(C)(C)C1	1904937007	RVQXRRQMVHNGDE-GFCCVEGCSA-N	238.396	4.652	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H](C)CC(C)(C)C	1911875411	RUCCNTVTUJFLOM-GJZGRUSLSA-N	237.431	4.559	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCC3(CCCC3)C2)C1	1916436810	JEOHHAJMTZFKHJ-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@]1(CNC(C)(C)C)CCCC12CCC2	1921602707	LQNSHOQXSORYDE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C=CCCCC1)C1CCC1	1925779385	YKVQOPJDEKDYBR-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@H]1C=CCCCC1	1925915628	ANPMGUSUMRMLFG-ZDUSSCGKSA-N	249.785	4.807	0	10	BJAE	
CCC(CC)CCNc1ccccc1OC(C)C	1926187998	YJVAXRPIUQFNGT-UHFFFAOYSA-N	249.398	4.712	0	10	BJAE	
C[C@H](CC[C@@H]1C=CCC1)COCc1ccccc1	1932592947	NQSXKBQMMILTTJ-HZPDHXFCSA-N	244.378	4.586	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H](CCC)C(C)C	1936206575	HPSPJMHZMXWRRZ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCCC[C@@H]1CC1(C)C	1940848799	PJEXSBARURSIBQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@H](CCC)C(C)C	1941263763	PVYYGCDYQQPWSM-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NCC)[C@]12CCCC[C@H]1CCC2	1944156876	UVXJCYAYVYDYIF-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]([C@@H]1CCC(C)(C)C1)C(C)(C)CC	1945590160	CAKRNUSLLXEGTF-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@@H]1C=CCCC1)C(C)(C)C	1947576229	MKXXUUUMMWJCLY-RBSFLKMASA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CC[C@H](C(C)C)CC1	1948429086	OTFMXXCITCOFDQ-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC23CC3)c(C)cc1Cl	1948809433	MASNBFYZPQQOAU-CQSZACIVSA-N	249.785	4.701	0	10	BJAE	
CCCCC[C@](C)(O)[C@@H]1CCC2(CCCC2)C1	1949450629	FHCGARIGHBOREM-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCC=CCC2)CC1=O	1949657119	YCHHQTFMRZQIAQ-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H]1C[C@H](CCC(C)(C)C)CCC1(C)C	1949660416	IJNJXNATXQYDFX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)C=CCCC1(C)C	1949679878	POSFEPYCUTUHIF-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@H](C)NC1C[C@@H]2CCC[C@H]2C1	1950297735	QPCFGIXUEKUTCU-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@]1(CO)CCCC(C)(C)CC1	1950909806	AEODGDGLKFEMAR-HOCLYGCPSA-N	240.431	4.782	0	10	BJAE	
CCC1(CC)CC(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)C1	1965988406	OELIECOBNOQSHK-QDMKHBRRSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](Nc1ccc(C2(C)CC2)cc1)C1CCCC1	1967842483	IPOZHQZYKRVWFD-CYBMUJFWSA-N	243.394	4.729	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCCC3(CC3)C2)c(F)c1	1968327366	XLIQDKPXUIALFW-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)C(CC)(CC)CC	1978523150	DVPTURXJIZLXRP-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)CC[C@@H](O)c1ccc(Cl)cc1	1980681949	QEYOXLKRSCXLEW-SMDDNHRTSA-N	240.774	4.590	0	10	BJAE	
Cc1cc(C(=O)C(C)(C)C(C)C)ccc1Cl	1993194465	YFGXIFAKDALOHF-UHFFFAOYSA-N	238.758	4.513	0	10	BJAE	
CCC[C@@H](C)[C@@]1(N)CCCC2(CCCCC2)C1	1996647804	RHWHRRPMIQAHQX-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)[C@H](NC)[C@@H]1CCC[C@@H](CC)CC1	1997117571	RXRJOAPSZWSQJH-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CC2CCCC2)CC1	1997117780	SXJWIBZAKNCANN-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2CCCC2)CC1	1997118342	XCGXBPOOGNHMPE-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)C2CCCCCC2)CC1	1997205195	LLBBKFHIABZHEK-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CC[C@H]1CCC[C@H](CNCC(C)(C)CC)CC1	1997215177	NRJBEGFWKXVJGG-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@H]1CCC=CCCC1	1999985749	MJJUUISHMHGJMV-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@@H]1CCC=CCCC1	2000000309	AZZHEOGDRCMFLY-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@](N)([C@@H]2CCCC(C)(C)C2)CC1	2000062648	NSPHCFCHBAWNKB-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C1(O)CCC2(CCCCC2)CC1	2000278493	BGKHMKWKMJDICQ-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)C[C@H](C)C1CC1	2000511532	QKMJRGOMWJEJOT-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CNCC)[C@@H]1C=CCCCCC1	2000521087	QZXBOCOYPGCOOW-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](C)(CNCCC)[C@H]1CCC1(C)C	2000524483	YXXCBLXLMVAENW-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@]1(C)CCCCC1(F)F	2002589748	OQHUMCNGBLJWEX-AAEUAGOBSA-N	246.341	4.597	0	10	BJAE	
CCCCCC[C@H]1CCCCCC[C@H]1NCC	2003097615	HDYMPYUSLBYRIW-JKSUJKDBSA-N	239.447	4.905	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2CCCCCCC[C@H]2N)C1	2003111182	JOULGONIQMGBCG-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](CC1(C)CCCC1)NCC	2003177503	XSSCEOGUAGJYIY-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCC2(CC2)C1)C(C)(C)C	2003197230	KBLQGUDOUAOLFG-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2CC[C@H](C)C2)CC1	2004337389	QSJAOPQKXSQDRC-QRNKSROTSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H](C)c2sccc2C)CCC1	2006911515	CSLZPZLQIDTOAZ-KBPBESRZSA-N	249.423	4.596	0	10	BJAE	
CCC[C@@](O)(CC1CC(CC)C1)C1CCCC1	2007756353	ILZZKTUYQFMRCO-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H]1CC[C@@H](NCCC)[C@H]1CC	2009248675	KBTGWHLFSUSZOT-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)C1=CC[C@@H](C)CC1	2010622638	LXWDDAUMHOMLIE-YCPHGPKFSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)c2csc(C)c2C)CC1	2010743723	NZNXSTNGYKEQFP-WFASDCNBSA-N	249.423	4.501	0	10	BJAE	
CCCC[C@@H]1C[C@@H](NCCC)CC2(CCC2)C1	2012042072	QOHOQUKMIFQDDO-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCC[C@@](CC)(CNC(C)C)C(C)C	2012427845	YAYRCAORDMHBMJ-DYLHUKMJSA-N	239.447	4.783	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(F)cc1C	2013262895	DQVPLMWVXAWVHF-CQSZACIVSA-N	237.362	4.761	0	10	BJAE	
CCCCC(C)(C)NCC1CCC2(CC1)CC2	2013535641	OYITTXFVOACOEO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(O)CC(C(C)(C)C)C1	2014655263	DLAHEPYJOGGTCO-VEAWUBTESA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H](C)C[C@]1(O)CCC2(CCCCC2)C1	2015285508	XFFDKDGJBXAKAY-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@]1(C)C[C@@H]1C)C(CC)(CC)CC	2016392352	YHHGXRJHJKYQBP-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@@]1(C)C[C@H]1C	2016453999	CGKDTFHECAUSQM-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C(=O)C2(C(C)(C)C)CCC2)CC1	2017132500	FLTPSNJASRLQDQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C2(C(C)(C)C)CCC2)C1	2017133384	RBXWXCBCKPCMGL-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)[C@H](C)[C@@H](C)CC)CC1	2017657313	DPDVTJABGLFCHH-XFIYOXNOSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(CCC[C@@H](N)CCC)CC1	2017733043	HAILVCUXDATFPQ-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
CCCC1CCC(CC[C@@H]2CCCCN2)CC1	2017733740	NGGAKEKAIBRTKP-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCC[C@H]1CC[C@H](C)CC1)C(C)C	2017735736	GFCKOYPFSHMEEY-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCCCC12CC2	2018130314	NXIYQLFBCMGUGK-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@H](C[C@@]12CCCC[C@H]1C2)NCC	2018567818	CEVKVGBUPJMWGT-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCN(CCCCCC(C)C)c1ccccc1	2019341382	ZWLCTTZXJFNBAX-UHFFFAOYSA-N	233.399	4.729	0	10	BJAE	
CC[C@H](CC(=O)C[C@H]1C[C@H]1C(C)C)C(C)(C)C	2022553800	JBEYECTYWOBPFM-GUTXKFCHSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2022992677	NPNUALGPNADNKP-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(F)(F)CCCC[C@H]1CCC(C)(C)CC1=O	2023353229	LBBTVAGPIRHOKD-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC1(CC(=O)c2ccccc2C(C)C)CCC1	2027517426	HCIYJCQJBNMEKP-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)c1ccccc1C	2027731511	DPACBMOHXHUHIG-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCC1(CNc2ccccc2C2(C)CC2)CC1	2032244285	CVYZBXMWUDTSKF-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
NC1(CCC2CCCCC2)CCC2(CCC2)CC1	2032252920	SIWQSJCYFPBMLI-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@@H]1C)c1ccccc1	2032515925	VUVSXEMDPRRPTM-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N2CCCC23CCCCC3)C1	2033535220	PDMKBUOOUUHJKM-ZSHCYNCHSA-N	249.442	4.610	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)cc1	2035412153	RVAAVVCUXIQILU-XYPHTWIQSA-N	245.410	4.732	0	10	BJAE	
N[C@@]1(C2=CCCCCCC2)C[C@@H]2CCCC[C@@H]2C1	2037076774	FXRVMXWDYDLJBG-SCAQPMJSSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)[C@H]2CCC3(CCCC3)C2)C1	2037683081	QEGJRQFLSMNABB-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
C[C@@H](N[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCCC1	2038623133	RFTRDFCVPNLEEM-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)[C@@H]1CC=CCC1	2042019985	SVICMHNERMZLBF-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CCC1)C1(C)CC=CC1	2042027470	NILKGOAMFRBRSL-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C(C1CC1)C1CC1	2045310656	DXXGERFIDNVIID-CYBMUJFWSA-N	246.394	4.518	0	10	BJAE	
C1=C[C@H](NC2CCC3(CCCCC3)CC2)CCC1	2045668440	QTBBTWLRSWTSMO-HNNXBMFYSA-N	247.426	4.578	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1C(C)=CCC[C@@H]1C	2045682625	OXHCCSYYEOLDEF-FZKCQIBNSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2046481198	CQYSCCIEZBSQKN-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)C[C@@H]1CC12CCCCC2	2047016248	NRIUIFFJPXZVJH-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)C[C@H]1CC12CCCC2	2047062112	LFFYQILGERBKTN-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@](C)(N)C[C@@H]2C=CCCC2)CC1	2049413544	ZAIMYBXGZYYCEM-MYBQVCMBSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC([C@](C)(N)C[C@H]2CCCC3(CC3)C2)C1	2049863934	IARMVDQJTWSQEM-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CC)c1cccc(C)c1	2050431919	SWJJTVZPGKLPDN-YOEHRIQHSA-N	247.426	4.862	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC[C@@H]1C=CCCCC1	2050461203	RNDITHGIIZVHRA-WBVHZDCISA-N	243.394	4.521	0	10	BJAE	
CCN[C@H](CC1=CCCCCCC1)c1ccco1	2050523810	XTMFGHCOFHBOBU-OAHLLOKOSA-N	247.382	4.601	0	10	BJAE	
C[C@@H](Nc1ccccc1C1(C)CC1)C1(C)CCC1	2052347524	DNFYGDAYPAIJPO-CYBMUJFWSA-N	243.394	4.729	0	10	BJAE	
CC1=C[C@H](N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CCC1	2055550320	SIZUUDSRBLVZSB-QBPKDAKJSA-N	249.442	4.536	0	10	BJAE	
CC(C)CC[C@H](Nc1ccc(CF)cc1)C1CC1	2055677133	GMGAJKXEPUZRIB-INIZCTEOSA-N	249.373	4.783	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@]12CCCC[C@@H]1CCC2	2056773530	CYWXJOGQXYJEOV-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
NC1(C2CC(C3CCC3)C2)CCCCCCCC1	2057490760	JTYKWYDESVYERO-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC=CCCC[C@H](C[C@H]1C[C@H]2C[C@H]2C1)NCCC	2059251249	YIZOIUYRTGEFAN-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](CC1C[C@H]2C[C@@H]2C1)NCCC	2059251250	YIZOIUYRTGEFAN-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C)CC1)C(C)(C)C1CCC1	2060923811	ACKQXOGXAGJZRM-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C)CC1)C1(C(C)C)CCC1	2060925714	MOGZILKRTFHGHS-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)C[C@@]12CCC[C@@H]1C2	2061624008	VXQXYPHOPPSQSB-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1N[C@@H]1CCCCCC12CC2	2062015720	ADXKITLGEDSBGH-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CC(=CCCNC(C)C)CC1C[C@H]2CCC[C@@H]2C1	2063492054	WJWMTVNXAMKAEG-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063521527	YBTXTYKQPIXHAL-WCVJEAGWSA-N	246.394	4.518	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H](C)CC1)c1occc1C	2063677240	GLZULFWAUKAYNT-CFVMTHIKSA-N	249.398	4.598	0	10	BJAE	
CC(C)C(C[C@H]1CNc2ccccc2C1)C(C)C	2069001434	GBDJNFWHSOQNRU-AWEZNQCLSA-N	245.410	4.589	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2CC23CCC3)CC1	2069168764	SOXBQBSZLYGRQX-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C1CCCC(CCNC2(CC3CCC3)CC2)CC1	2069586694	HFEPUQNFFGHREL-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H](NCC1(C)CCCCCCC1)C1CC=CC1	2070814578	NCXANVVDVPQILA-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CC[C@H]2C2CCC2)c(C)c1	2071782988	OCMURYJGANXAHE-HOTGVXAUSA-N	243.394	4.602	0	10	BJAE	
Cc1ccc([C@H](N)C2(C(C)(C)C)CCC2)c(C)c1	2071933069	JKBGEVIXUHPIFP-HNNXBMFYSA-N	245.410	4.520	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C[C@H]2CC[C@H](C)CC2)c1	2072803496	ISIVPUALCBVDRU-NUTKFTJISA-N	245.410	4.520	0	10	BJAE	
C[C@H](C[C@]1(N)CCC[C@@H]2CCCC[C@@H]21)C1CCC1	2081118083	JFNGGVGGPSERSR-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](C)c1ccccc1	2081945413	VCXHCFVPPFQTDN-LBPRGKRZSA-N	243.325	4.561	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)C[C@@H]3CCC[C@@H]3C2)C1	2082974477	ZTPXCPZIDQKDDC-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(c1cccc(C(C)(C)C)c1)C(C)(C)C	2083542931	BZOMBOYIARJODL-QGZVFWFLSA-N	247.426	4.594	0	10	BJAE	
CC(C)C[C@@H](N)CCC1CC2(C1)CC1(CCC1)C2	2083615802	QAYFWXXKTUSCBP-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC[C@H]1CCCNC12CCCC2)C1CC1	2083815959	MPFRIHHOLFSTLG-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2C[C@H]3CCC[C@H]2C3)c1	2086162701	NQPIXGZGYWNPAP-JDFRZJQESA-N	241.378	4.555	0	10	BJAE	
CCC[C@H](N)CCCCCCCCC1CC1	2212443508	SRFBCUBTVNWIEL-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCc1cc(Cl)ccc1NCCC1CCC1	2212630619	DDGMOIZNNNPEIQ-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
Nc1ccccc1SCCCCCCC1CC1	2213573092	DCWDYDZEOKHDQK-UHFFFAOYSA-N	249.423	4.721	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)C1(C)CCCCCC1	2215257478	WBYNNMVFLGHSKX-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@]1(C)CC=C(C)CC1	2215818520	ROZLYHCGAOPMSP-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@@H](C)[C@H](N)CCCCCCCC1CC1	2216860600	PQWRHQMPDGPHCT-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCCN[C@@H]1CCCCCCCC1CC1	2216861913	IZVANRZFGZAPMB-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)CC1(CNC2CCC2)CCCC1	2217126100	CQPGXGGPUSKGSO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NCC(C)(C)C[C@H](C)CC(C)(C)C	2217137325	BIYGVZQALDGLLY-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1C[C@@H]2CCC[C@H]21	2218732392	RAVOEOONMNHIEZ-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
CC1(C(=O)CCCCC2CC2)CCC2(CC2)CC1	2220015048	AHVIEIHURDSTIX-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC[C@H]1C[C@H]1CCC1(N)CC2(CCCCCC2)C1	2220877461	KIHDYXDVJPCLFM-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@H](CN(C)[C@H]2C=CCCCCC2)CC1	2221609344	IPVHXRHNGCTNGM-IRXDYDNUSA-N	247.426	4.554	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2221644248	GACDWDMHWDBSMG-JYYAWHABSA-N	246.394	4.518	0	10	BJAE	
C1CC[C@@H](CC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)NC1	2222918798	NXCFTZFUKDTKJD-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCCNC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222924215	YXODATHREYRNQN-WLJXVMBLSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CC[C@]1(N)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222950043	UNRFQWRQATWZMO-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
O=C1CCC[C@H](C[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2222953714	DPPWFGXFAJKBEC-QXSJWSMHSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1ccc(C2CCC2)cc1	2223701011	GGBZAJNGNQTKLF-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1cccc2ccoc12	2224198096	MMZCHMSPFFKEDU-CQSZACIVSA-N	246.350	4.683	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCCC1=O	2244840958	BWTGVPKUHLKENA-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)[C@@H](N)CCC[C@@H]1CCCCC12CC2	2246608273	YKIJJPWLIPRIAN-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](N)CC[C@H]1CCCCC12CC2	2246631705	UWSVRMLCLCIGSK-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC[C@@H]1CCC[C@@H](C)C1	2246725498	IFKWBWKUDJZRQP-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C[C@H](CCCC[C@@H]1C[C@H]1C)NC	2247176170	NMMZKWYPPGCIHO-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNC)CC1=CCCCC1	2247489726	IPSYYYQHZPCYGD-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H](C)[C@@H]1CC12CCC2	2248292276	RXTYAKPHYREKIW-NEPJUHHUSA-N	249.785	4.639	0	10	BJAE	
CC(C)CCCN(C)CCCCC[C@@H]1C[C@@H]1C	2248840779	MDXCVJCSEDNRDV-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](NC1CCC=CCC1)c1cccs1	2249288914	HQADQYAYRQHXNT-CQSZACIVSA-N	249.423	4.678	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CC1(C)CC(C)C1)N2	2253754401	SSQXFQVRRXIWMC-GULBITTBSA-N	243.394	4.548	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCCCC12CC2)C(C)=C(C)C	2253815361	IRZIVRPTPJLRRF-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1CC2(C1)CC(C(=O)C1(C(C)(C)C)CCC1)C2	2254492195	WBFVRVQKZMFKAX-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CCCC[C@H]2C[C@@H]2C)c1	2254588032	RLNHUAHPPUMVCA-YQQAZPJKSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](N)(C[C@H]2CCC2(C)C)C1	2255009741	PURDMDYLZIGDDH-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@H]1CCC12CCC2	2255022420	GKALAHUSYWWWAV-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCCC1([C@@H](C[C@H]2CCC23CCC3)NCC)CC1	2255029070	YTCVIFVKTNPXIV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CC[C@H]1CC(C)C	2256143064	ZDPQTOAXAFMDRD-DZGCQCFKSA-N	249.373	4.625	0	10	BJAE	
CCCc1ccc(CN(C)[C@@H](C)CC(C)C)cc1	2256314312	SCLCLWUSYLADHJ-HNNXBMFYSA-N	247.426	4.506	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@]12CCCC[C@H]1C2	2257246631	GRTJDAJXFZRPFW-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](Nc1cccc(C(C)(C)C)c1)C1CC1	2257885005	GLYPWIRIFKJLKU-INIZCTEOSA-N	245.410	4.831	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CCCC2(C)C)c1	2257908509	QSOBJGANDGOHLN-OAHLLOKOSA-N	245.410	4.975	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CC1CC2(CC(C)C2)C1	2259575113	BJVKJCNFASFSQS-PYCMUAIMSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@@](C)(N)C(C)(C)C)CCCC(C)C	2300926896	PULPTDLKWYDSIT-MRXNPFEDSA-N	239.447	4.913	0	10	BJAE	
CC(=CC[C@@H](CO)C1CCC1)CCCC(C)C	2300931287	ILZXHHHLHVDROM-INIZCTEOSA-N	238.415	4.558	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CCCC1=CCCCC1	2302321904	BVGKZUREIWGCMK-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CC(C)C1(C[C@H](N)CCCCC2CC2)CCC1	2302572838	YPEQLUGZFGCHGG-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@H]1CC[C@H](C)CC1	2302614664	DNPZSLCKAUBOOK-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)C[C@@H]1CCC(C)(C)C1	2302715424	FVLMUXGSXGAEGB-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CC[C@@H]1C(C)(C)C	2303406106	ZAKZYBAGSDFVTN-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CCC(=O)C1CCCC1	2303506090	NPZSVPISRREZKT-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC)C[C@H]1CCC(C)=C(C)C1	2303595455	UFRGISSHUYMJMA-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@@](N)(CC1CC1)C1CC1	2303742335	RHZMNCPGHKJYFN-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC1CC(O)(CC[C@@H]2CCC(C)(C)C2)C1	2304383636	HBTOBDBODDDWQV-HLIUYOAVSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@@]2(C)CCCCN2)C1	2304432520	WDLMKKXEZRUVGG-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CC[C@H]1CCC(C)(C)C1	2304436859	UKKZUHKRRPVZFS-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](C)C[C@@H](NCC)C1	2307908810	RFJXKPPLYNOCAX-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@]1(C)CCCC1(F)F	2307910753	ZOTMANOSFAPPLE-DGCLKSJQSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC=CCCC1)[C@@H]1C[C@@H]1C	2309815430	ZCLBQTAMTLBGFX-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2311610797	DLQBSQRPXIWYLD-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H]1C[C@H]2CC[C@@H]1C2	2313168717	NXEOFULVQATUPL-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]23CCCC[C@@H]2CC3)[C@@H]1N	2313348025	ZJITZHLTBIPBQE-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC(=CC=C1CCC[C@@]1(C)CN)CCCC(C)C	2316562772	KTZRXTBAWWNTLZ-KRWDZBQOSA-N	249.442	4.834	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316878485	OFEANQOHNOFLIL-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)[C@H]2C[C@H](C(=O)CC3CCCCCC3)C[C@H]21	2316879845	HCGHGKDCGCQQJT-QKDCVEJESA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(N[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316880407	JDEFTCWXXZFEOF-DZKIICNBSA-N	249.442	4.514	0	10	BJAE	
COc1c(C)cc(NCCCCC(C)C)cc1C	2317370285	VSLQNCVEHSDWKG-UHFFFAOYSA-N	249.398	4.550	0	10	BJAE	
CC[C@H](N[C@H](C)[C@H](C)C(C)C)c1ccc(C)cc1	2317629213	GMLPZLZHGCAXKT-INMHGKMJSA-N	247.426	4.716	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)c2cccc(F)c2)C1	2319107573	DDKMPZNDPUVQGL-LBPRGKRZSA-N	248.341	4.615	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@H]1CCC(C)=C(C)C1	2320238661	XCERCMQYIXFXBP-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(N)CCCC2(CC2)C1	2320246985	NMPXLYLNBFRROC-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CCCC(C)(C)CC2)CC1	2320342051	ZDCVHDOYCYEZLS-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CC[C@H]2CC2(C)C)CC1	2320390368	JLJOYTNYQSFBRX-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H](CCC2(N)C[C@H]3CC[C@@H](C3)C2)C1	2321601235	XOAWTMXPSHUVRZ-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@H](C)C2CCC2)c1	2327702478	YLKYEWGQFFNKAV-CXAGYDPISA-N	245.410	4.554	0	10	BJAE	
C[C@@]1(N)C[C@H]2CC[C@H]1C[C@@H]2CCC1CCCCC1	2327770594	QYZNPZJDVXPMOP-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1cc2ccccc2o1	2328277905	OMZVSVVZBPZKLS-OCCSQVGLSA-N	245.366	4.649	0	10	BJAE	
Cc1ccc2c(c1)C[C@@H](CC1CCCCC1)CN2	11633700	RBCIXPYKXUNUGE-OAHLLOKOSA-N	243.394	4.550	0	10	BJAE	
CCc1ccc(N[C@@H](C)c2cc(C)oc2C)cc1	20438332	NUFLOCLXUZXYOE-LBPRGKRZSA-N	243.350	4.632	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@@H](C)C(C)C	70123740	DGBBYUBJVOHKIQ-YOEHRIQHSA-N	247.426	4.753	0	10	BJAE	
CCCCCC[C@]1(N)CCCC(C)(C)CC1	83435354	QRMYXTLEHIVCMU-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCC[C@@H](CC)C1)C(C)C	83825729	AJOOZVWKEBJVAU-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H]1CN[C@@H](CC(C)C)c2ccccc21	84231190	KEHNFZOUUNCIHC-PBHICJAKSA-N	245.410	4.507	0	10	BJAE	
CCCCCCC(C)(C)[C@H]1CC[C@@H](C)C[C@@H]1O	85157533	HFTHQCIQBWJGFB-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1ccc(Cl)s1	87336815	YVLKLMWTDUESQR-SNVBAGLBSA-N	245.819	4.631	0	10	BJAE	
CCN[C@H](C(C)C)[C@H](C)c1ccc(C(C)C)cc1	92599524	RFQHFLCDVMWFMO-RHSMWYFYSA-N	247.426	4.548	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC2(C)C)c1	94303565	ZGKALMUDGANWGL-OAHLLOKOSA-N	231.383	4.801	0	10	BJAE	
Cc1ccc(C(C)C)cc1[C@@H](CCCN)C(C)C	96890730	CKWBRQLJXOHZJT-INIZCTEOSA-N	247.426	4.597	0	10	BJAE	
CC[C@H](C[C@H]1O[C@@H]1CC)c1c(C)cc(C)cc1C	107532805	GIRQZINFGJKHLW-BZUAXINKSA-N	246.394	4.673	0	10	BJAE	
Cc1cc(C)cc(NC2CCC(C(C)C)CC2)c1	109756803	UPDTUMODKOKXRW-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C[C@H](C)C(C)(C)C)c(C)c1	111646997	WMVPBAFDCCPBTO-GJZGRUSLSA-N	247.426	4.684	0	10	BJAE	
CCCN[C@@H]([C@H]1CCCC[C@@H]1CC)C(C)(C)C	111746912	GREAVMQNTFIBJA-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H](C)CCC	124900890	PYNTZBXOAPJCGQ-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCC(C)C)NCC	124980819	MYSKKRUUHUZYSJ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)c1sccc1C	126009804	PAIHHCAKMJUFGL-YPMHNXCESA-N	239.428	4.533	0	10	BJAE	
CCCCCC(CCCCC)NC[C@@H]1C[C@@H]1C	159012030	HALYUIRVGOQKTD-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@H](N)c1ccc(C(C)(C)CC)cc1	167349022	LGEDBWXEWQKHTI-BBRMVZONSA-N	247.426	4.810	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)CCCC	225995087	QTLKLJMZNWRANJ-KGLIPLIRSA-N	213.409	4.514	0	10	BJAE	
CCCN[C@H](c1cccc(CC)c1)C(C)(C)CC	228860249	VEBBAAYFUHNYGW-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1	229191532	XPPYTCYQEWJRSZ-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC1(C(=O)c2cc3ccccc3o2)CCCCC1	232853107	OVJNYZWVOJWGQR-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
Cc1cc([C@@H](N)C2(CC(C)C)CCCC2)oc1C	302320414	GWTABJCUBXPQDI-OAHLLOKOSA-N	249.398	4.503	0	10	BJAE	
CC[C@](C)(CCCC(C)(C)C)CNCC(C)C	302352679	WRZZJTVOLNFHNS-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
Clc1ccc2c(ccn2[C@@H]2C=CCCC2)c1	303730651	AMHIFFVHYJUSBH-CYBMUJFWSA-N	231.726	4.576	0	10	BJAE	
CCOc1cc2scc(Cl)c2cc1Cl	307291017	BDZOCHLXDWCWDX-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1cc2ccccc2o1	308034728	RVSDJRLETWUYTP-MLGOLLRUSA-N	246.350	4.539	0	10	BJAE	
CC(C)[C@]1(CC2CCCCC2)CCCCCN1	309947691	RAEWPLLGSIHHBX-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCCC1CCCCC1)CC(C)C	310060945	POVUOEQCMIVSQT-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H]([C@H]2C=CCCCCC2)C1	310067459	HJJWHSNFKIJAOY-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](O)CCC1CCCC1	310184298	UYUSDLQCOXVYCE-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H]1C[C@H](C)c2ccccc2N1	310344605	DVXYEFWZJGELDR-KBPBESRZSA-N	231.383	4.801	0	10	BJAE	
CC(C)NCC[C@H](C)C[C@@H](C)C1CCCCC1	310377657	AIVNZRFAIOLRBI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1(CC(=O)CCC2CCCCC2)CCCC1	310492815	GGWBMLVEZVGIKO-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCC1(C[C@@H]2C[C@H](C)Nc3ccccc32)CCC1	311024939	ZVTPNCBOCCAFTJ-KBPBESRZSA-N	243.394	4.945	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CCCC12CCCCC2	313092912	CDUHFUBUYSZYJR-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@]1(CNC(C)(C)C)CCC[C@@H](C)C1	317939426	NIDPQOIOYJSOKI-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(CC)(CC)CNC(C)(C)C	319474089	WXHODAYGGUJBLH-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](NCC1(CC)CCCC1)C1CCC1	322684753	KNMFNFRRRHPGJW-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)NCC/C=C/c1ccccc1	322851881	ADDOXIBWHWXCCO-INDWDQIESA-N	245.410	4.504	0	10	BJAE	
CC[C@@H](N[C@H](C1CC1)C(C)(C)C)c1ccccc1	324145326	WYMIIXCNHQOZHS-HZPDHXFCSA-N	245.410	4.552	0	10	BJAE	
C[C@H](NC1CCCCCC1)[C@@H]1CC2CCC1CC2	381596225	FLJNAQYZWGVSLS-GIOUXUJVSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)CNc1cscc1C	387203108	OOQNUFYPVHZLQT-LBPRGKRZSA-N	225.401	4.685	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCC[C@H](C)CC1	391178403	OTBIMSVQRIFDPB-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1csc2c(C)cc(C(F)(F)F)cc12	396194387	HQWUGFKORWSRHL-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C[C@H]1CC=CCC1	402382163	ZLSWKOGORVPXJG-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C(C)(C)Nc1nsc2ccccc12	687709084	ORGDIFIJDMYPFP-UHFFFAOYSA-N	248.395	4.533	0	10	BJAE	
C[C@H](Nc1ccc(C2CCC2)cc1)[C@@H]1CC1(C)C	690100505	XZWOOLZRISWMPI-LRDDRELGSA-N	243.394	4.801	0	10	BJAE	
C/C(=C\CCNC(C)C)C[C@@H]1CC2CCC1CC2	691694625	ASOCTJWXMOPOKJ-KGOMGJGRSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCC12CCCC2	694324971	FDCYLZPIJCAAMG-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)c1cc(C)cc(C)c1	695099532	OOHYPKXOBWYZKG-GJZGRUSLSA-N	247.426	4.779	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@H]2C2CC2)c(C)c1	696103569	IBNVXQKECCZRLT-DOTOQJQBSA-N	243.394	4.684	0	10	BJAE	
CCC[C@@H](C)C[C@H](CC(C)(C)CC)NCC	696162912	FGHVFTQJXCICOE-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](C)[C@@H](N)c1ccccc1	696799059	IVOSOLMHPYYYQD-UKRRQHHQSA-N	233.399	4.539	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	699048065	APMCBWJPIQNQPK-XJKCOSOUSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)[C@@H]1C[C@H](C)Nc2ccccc21	701141432	YVVXTMBHVMGLGJ-GXTWGEPZSA-N	231.383	4.801	0	10	BJAE	
CC(C)CCCCC[C@@]1(CNC(C)C)C[C@H]1C	703336947	PVUHZBPJBBHHSW-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@]1(N)CCCC12CCCCC2	704436332	OIDHINWIMUIGRD-INIZCTEOSA-N	237.431	4.789	0	10	BJAE	
CC1(C[C@@]2(N)CCCC23CCCCC3)CCCC1	704437355	YDNRQHMQMHOYPA-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC(C)Cc1ccc([C@@H](N)[C@@H](C)CC(C)C)cc1	704757945	YXVVUHKNKCKHTM-YOEHRIQHSA-N	247.426	4.567	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@H]1CCCC12CC2	706307410	BKUFSVACHYELIR-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)CCCCC[C@H]1C(C)C	707764737	CDMMQERLGBKSDT-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@@H](C[C@@H](C)CC(C)(C)C)C1	709110865	ZRUTYFLBVHSREV-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H](C)CC(C)(C)C	709131012	JVJIKXDOUODNNW-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](O)(C[C@@H](C)CC(C)(C)C)C1	709260637	OKKGUVXHMMMMCX-FQLMCAECSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CC(=O)CC1=CCCCC1)CC(C)(C)C	709269986	BZYZUEVJUKULPM-CYBMUJFWSA-N	236.399	4.908	0	10	BJAE	
Cc1cc(C)cc([C@H](C)Nc2csc(C)c2)c1	710709622	GHKFTTRKGBBHCB-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCC(C)(C)CC)NC	711250617	AJNBWILHHCZJSX-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CC(C)(C)CC[C@H]1C	713069194	XJHSIVOUAGQSRY-ABAIWWIYSA-N	249.373	4.761	0	10	BJAE	
CC(C)NC[C@H]1CCCCC[C@@H]1CC(C)(C)C	713169960	SWMOCEQWLLDXQA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@@H](N)C1CCC(C(C)(C)C)CC1	713262690	FZLZEQMRBONZRR-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@H](C)C(C)(C)C	713693937	JBJXTZBGWVRHPT-CWCINCBISA-N	237.431	4.559	0	10	BJAE	
C/C=C/CCc1cc(Cl)ccc1Cl	714521781	KRSQSJBDLJAESH-NSCUHMNNSA-N	215.123	4.502	0	10	BJAE	
CCCC(CCC)C(=O)CC[C@H]1C[C@@H]1C1CC1	714864040	DHNLQSOSMMMHLB-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccccc1NCC[C@@H]1C[C@@H]1C1CC1	714866938	RSCVKBJBBVZQJK-GDBMZVCRSA-N	243.394	4.658	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@H]1C[C@H]2CC[C@H]1C2	718578329	ISAKSNPSCLCSNF-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@H](C)NCCC(C)=C(C)C	718606224	SAQBAVOIVPHZDW-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCCC1(C)C)C1CCC1	719307884	LWZQUXUQCVXGDJ-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@](O)(CC)CC1CCCCC1	720971523	WDPYPTQFFCYOKP-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CC1CCC([C@]2(N)CC[C@H]3CCCC[C@@H]3C2)CC1	723612262	JMLKEYOUEWIWSO-LXJVZLBISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C1CCCC1)C1CC1	723958942	FBPOVMMBKVKXPZ-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(-c2cc(F)cc(Cl)c2)cs1	1889518561	LQPDAGPNFCSNBY-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
CC1CCC(C)(C(=O)CCC[C@H]2C[C@H]2C)CC1	1908591540	JVYZTDKOGULFIA-IQXANGCESA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@@H](NCC)C1CCCCCCC1	1911922352	LCUIDYJXTVYYQX-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CC(C)CCC[C@@H](O)C1CC2(CCCCC2)C1	1912726605	IBRZQPHTJRYMGE-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCCc1csc([C@H]2CCCC23CCC3)n1	1921614928	JJKMLFMNHCTDNG-GFCCVEGCSA-N	235.396	4.533	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)[C@@H](C)C1CCCCC1	1924113105	YUKYVIRISWAPEU-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C(C)(C)C1(C)[C@@H](N)C[C@H]1C=CCCCC1	1925772668	NYIBPLNAIMRWLN-KBPBESRZSA-N	249.442	4.523	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](CC)C(C)C)s1	1936210480	YIMZBNNRALBHMW-GFCCVEGCSA-N	238.396	4.566	0	10	BJAE	
CC1(C)CC[C@@H](c2nc(C(C)(C)C)cs2)C1	1938011664	DFAYPMYTBNXCGV-SNVBAGLBSA-N	237.412	4.734	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)c1cscc1C	1938842689	LWFVWIZCNMSABC-JSGCOSHPSA-N	240.412	4.552	0	10	BJAE	
CN[C@H]1CCCCC[C@H]1CC1(C)CCCCC1	1940417190	VOXYYJLRSRMCBL-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CC[C@H]1CC1(C)C	1940854677	ZSFSZJOFIZRUGA-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@H](CC(C)C)C(C)C	1941263932	GVZNHIFCQSGDLH-HUUCEWRRSA-N	240.431	4.946	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1C[C@H]2CCCC[C@H]21	1941717722	PASOLOZZUKXHLS-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C2(C)CC(C)(C)C2)C1	1941987789	MOXPROUYQAFJBN-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](O)([C@@H](C)CCC(C)C)[C@H]1CC1(C)C	1942655120	GLRURQNVRNPZKE-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H]([C@H](C)CCC(C)C)[C@H](C)C(C)(C)C	1942659855	JYTZOUODFZNSHN-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CC)CCCC1C[C@@H](C)C[C@H](C)C1	1944205845	VYCUOLHCLJOGOV-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)c1cccc2sccc12	1945969346	FGADTFMQVZAHCK-CQSZACIVSA-N	248.391	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cccc(F)c1C	1947460772	LDLMGNVWUXVRSP-SWLSCSKDSA-N	235.346	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1NC1CCCCCCCCC1	1947879076	AVXJFAQEZWQSHC-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@@H]1CCC[C@@H](C)CC1	1948325548	HKXZUJTVSVJPQF-FXUDXRNXSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@@H]1CCCC[C@@H]1C	1948864705	PRUNEVDEYXXRBQ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@]2(N)CCCC(C)(C)CC2)CCC1	1948981302	PGVDOLFZSJOAEN-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C(C)(C)C2CCCCC2)C1	1949493537	OFCJSHILKAGYOU-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CC1CCCC1)C[C@H](C)CCC(C)C	1949864025	IQTZFMWRAIPCJW-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC(F)(F)CCC(=O)[C@H]1CCC[C@@H](C)CC1	1950930683	QSEIQTXEQSYWOZ-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2CCC[C@@H](C)CC2)CCC1	1950931826	ZNAWMVALUVLYJY-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)CC12CCC(CC1)C2	1950956451	ZIEKTWORPZSYOT-VQCLRJIVSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1C(C)=CCC[C@@H]1C	1950981213	WYCKCDZMCHXAHO-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)CNCc1cc(C)c(C)cc1C	1964072268	BBVJZEDMQBXHKL-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
Cc1cc(NC2CC(C)(C)C(C)(C)C2)ccc1F	1968591607	LIMNRSIIGFDMOS-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H](C)[C@H](C)NCc1ccccc1C(C)(C)C	1970321002	DUSKXFHNZWWZSS-KGLIPLIRSA-N	247.426	4.508	0	10	BJAE	
CC[C@@H](Nc1csc(C)c1)c1occc1C	1986205276	VEULNOPZNGXKCA-GFCCVEGCSA-N	235.352	4.521	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1cc(C)c(C)s1	1989984720	QKYYSWSVBGPLHA-TZMCWYRMSA-N	239.428	4.581	0	10	BJAE	
CCC/C=C/CNc1cc(Cl)c(F)cc1C	1995049449	WWTPVVSQYVVOIE-AATRIKPKSA-N	241.737	4.556	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1ccc(C)s1	1995215677	XXYBEVAZAPPFBH-NSHDSACASA-N	238.396	4.846	0	10	BJAE	
CC[C@@H]1CC[C@@H](c2nc(C3CCC3)cs2)C1	1995468623	ZPSSSTLMJWNIAV-ZYHUDNBSSA-N	235.396	4.704	0	10	BJAE	
Cc1cccc(C)c1N[C@@H]1CC[C@@H](C)[C@@H](C)C1	1995630651	TUVNCMNOOZSKQL-BYCMXARLSA-N	231.383	4.540	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@H]1C=CCCC1	1998377078	JCTKKMFOHDQURV-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]([C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000050132	DHSBWQJWOCYBII-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@H]1CC[C@H](C)C1	2000309911	PXIFKJUGCOGGTE-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC1CC1)CCCC1(C)CC1	2000377072	SNESNMDJSBATSU-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)C(CC)(CC)CC	2000389863	IBWFDGBQOGUYFQ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@](C)(CNCC)C[C@@H](C)C(C)(C)C	2000505436	REFNPCHIDFYBLU-GDBMZVCRSA-N	241.463	4.865	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C[C@H](C(F)F)C(C)(C)C	2002439296	ZBLWVIULDSTDGF-HBNTYKKESA-N	248.357	4.555	0	10	BJAE	
CCC(C)(C)CN[C@H](C)[C@@H]1CCCC(C)(C)C1	2003023071	WGFIZDSETUPQGA-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)[C@H]2C[C@@H]2C)CC1	2003066999	LRSBWLMQOISDIR-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@@H](O)[C@H]1CC[C@H](C)CC1)CC(C)(C)C	2003098578	GXQMPSDJZRIYMD-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCCCC12CC2	2005535810	HWXNGAMUZLSOGL-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCCc1ccc(NC2CC(CCC)C2)cc1	2009718207	UVEALPMNVDKXSX-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H]2CCCCCC2=O)CC1	2010783146	SBBNUZFRTLTTFV-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](CCC[C@H]1C[C@@H]1C)CC(CC)CC	2011575329	GPXUWNPTKAUJKJ-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1C[C@H](C(C)(C)CC)CC(C)(C)C1	2012041694	NDJFDALQVZJCOF-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](N)CC(C)(C)C1	2012064775	VKDNVHNVUVJAJG-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@H](C)CNc1ccc(C(C)(F)F)cc1	2012750186	UHLMDRULNPPZCZ-LLVKDONJSA-N	241.325	4.502	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCCCC[C@H]1C(C)C	2013482234	BIARYLRWNYWMPO-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CCC(C(C)C)C(C)C)CNC	2015344078	HXFFQNFHGGPDDF-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
CC(C)C(CCN(C)C[C@H](C)C(C)C)C(C)C	2015392415	PAVAGYWOZSKWGU-HNNXBMFYSA-N	241.463	4.529	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CCC1)C(C)(C)C	2015642065	LZASVLLZBRJUTH-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@@H](NCC)C(C)(C)CC)CCC1	2015648511	QGXDQMQNVVLMKJ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CNc1cccc(C(C)C)c1)C(C)C	2016106841	QTGBXPZUSVFUGX-AWEZNQCLSA-N	233.399	4.904	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@@H]1C=CCCCC1	2016136666	MQIDHWVEXNYPRS-CVEARBPZSA-N	236.399	4.620	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)CC1(C(C)C)CCC1	2017144658	DTALWGAJGUGBJS-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@H]2CC(=O)C[C@H](C)C2)CC1	2017773636	CXFIJHMLWDIJDO-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)C(C)(C)C(F)F	2017803111	RGLBSXKLARXOTG-AWEZNQCLSA-N	249.389	4.602	0	10	BJAE	
CCC[C@H](CC)N(C)[C@H]1CCC12CCCCC2	2019259598	ZGLRTTNDVINMCA-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@@H](C[C@@H](C)CC(C)(C)C)NCC	2020969248	NQRTYVGDGWRCDE-UKRRQHHQSA-N	239.447	4.783	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CCCC(C)(C)C1)NC	2024102646	UYVGZZNVWJIAEV-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCCC(C)(F)F	2026166665	LKTYRTOFGRSEQF-QWHCGFSZSA-N	249.389	4.746	0	10	BJAE	
CC1(CCCN[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1	2027835138	ZFJJWSDJXOSTEI-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1CNC(CCC)CCC	2027905636	JXPWOBFKDUBVRK-UHFFFAOYSA-N	247.426	4.698	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)[C@@]23CCC[C@H]2C3)CC1	2028128687	UMEHVKISGGSMGS-TXBNBULBSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc([C@@H](O)[C@@H](CCC)C(C)C)cc1	2028235623	RGUYISMGECWDIJ-DLBZAZTESA-N	248.410	4.745	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)c1ccccc1C1CC1	2028559381	GEGZDQFTNQQSSC-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CN[C@@H](c1ccccc1C1CC1)[C@H](C)C(C)(C)C	2028615057	QKBFZEAMVLXDHD-BLLLJJGKSA-N	245.410	4.507	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1ccccc1CC(C)C	2028914260	DSTDCWKNYUQAFO-KBPBESRZSA-N	246.394	4.750	0	10	BJAE	
CC(C)(C)C1CCC(=C2CCCCC[C@@H]2N)CC1	2031507434	WZOWLQIHTNKNBR-WMCAAGNKSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)[C@@H]1CC12CCC2	2032132330	PIGMQFHWBOOVMW-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CN1CCCCC12CCCCC2	2032670245	YDAXLFZLUGKCLL-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC1(CCNC2C[C@H]3CC[C@H](C2)C3)CCCCC1	2033212246	ILCVHOGOIHQHJO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCCC2)CCC[C@@H](C)C1	2035597134	BILXKOHTPODAHZ-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC1(CCC[C@@]2(N)CCCCC23CCCC3)CC1	2037179068	GEWHNKIAIWDCKX-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
N[C@]1(CC2CCC=CCC2)CCC2(CCCC2)C1	2037206888	HPNRCWHXKZOPLK-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)[C@@H]1CCC2(CCCC2)C1	2037699331	BVRASUPDLJZROR-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CC1CC2(CCC2)C1	2037978628	BDQBPGQEMXXBOA-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CC2CCC=CCC2)CC1	2039368697	DNHQMEFFDCRXCX-DJIMGWMZSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1ccc(CC2CC2)cc1	2040734907	HFSBHLREEHNMDD-ZDUSSCGKSA-N	244.378	4.504	0	10	BJAE	
CCCNCC1(CCC[C@@H]2CC2(C)C)CC=CC1	2042098737	LLOYNSNUTZNPFE-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)C1CCCC1	2045323725	OQLCCQHGSNBBMA-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@]2(N)CCCC23CCCC3)C1	2045393752	BNAZNNVBFXAJMV-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](N2CC[C@H]2C2CCCCC2)C1	2045519715	KIVQFVQJTPLWTI-HOTGVXAUSA-N	249.442	4.610	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC1CCC(C)CC1	2045681471	ZJSKNEIKTYRYCG-ARMAHUPYSA-N	248.410	4.764	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@@H]1CC12CCCC2	2047014872	FAGAGGHWTGXVIT-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CC[C@H]4C[C@H]4C3)c12	2047346159	MGHMWAPOIQGCAG-HRCADAONSA-N	239.362	4.565	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C1CC(C(C)C)C1	2048608541	PRCUOPUAVBBSKL-GIOUXUJVSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)C1CC([C@@]2(CN)CCC=CCCC2)C1	2048635645	ZVUQNKAZKMKXJJ-DQPZFDDXSA-N	249.442	4.524	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2CCC3(CC3)C2)C1	2049953846	ICYUFHPNJQSCCY-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1NC[C@@]1(C)C=CCC1	2049978224	CBOBEBNWASHCPW-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2CC3CCC2CC3)C=CCCC1	2050001211	WBXLHLGUIJAKRW-NDTCATRNSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)[C@]1(C)C=CCC1	2050009655	YYCANJNKQMIKKA-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1[C@H](O)CC1=CCCCCCC1	2050424359	BIISSGCUMWUFIO-QGZVFWFLSA-N	244.378	4.699	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H](O)c2ccccc2C)C1	2050440833	ITRLZUZZTOOZOH-VYDXJSESSA-N	246.394	4.635	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCC[C@H]2CC[C@H]21	2052287340	XPOZDGZQUJXWEM-YSVLISHTSA-N	243.394	4.801	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@H]1CCCCC12CC2	2053329630	YWXOTNDLHOLEFY-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CN[C@H]2CCCCC23CC3)CCC1	2053343027	SAFTWNWYJFWLQV-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@@H]2CCCCC23CCC3)C1	2053359162	MZIQAGWLUSLSAG-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@@H]1CCC[C@@H]1C(C)C	2056448933	NWTIGDIXKMWLLD-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CNCC2(C)CCC3(CC2)CC3)CC1	2056535542	FHMZQMQDHOMDML-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC2CCC=CCC2)[C@@H]1CC	2058727263	DIRABHVQARUCFV-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CCC[C@H]2C[C@@H]21	2059252265	GVALMKBJFWVQPH-ZTNBSJNOSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCC23CCCCC3)C1	2059394671	ZWMVQJQEZOEQBZ-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@H](N)C2=CCC(C)(C)CC2)C1	2061095118	KZCVVIBCJIQERH-BFJAYTPKSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(C2=CCC(C)(C)CC2)C1	2061112041	BNWXMJYTDIODJF-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)CC[C@@]12CCC[C@@H]1C2	2061636970	GPFGSBBMFJVRMG-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063499730	CLTKWRKQLCUABB-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2C[C@@H](N)CC3(CCC3)C2)C1	2063638341	GWQATIFFQWJWQY-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(N2[C@H]3CCC[C@H]2CC2(CC2)C3)CC1	2066248702	YQKLQMSQZZLXQS-HOTGVXAUSA-N	247.426	4.506	0	10	BJAE	
C[C@H](NCCC1CC2(CCC2)C1)C1(C)CCCC1	2067508017	HTIOHKXDCCWJII-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C=C2CCN[C@H]2C(C)(C)C)CC1	2067828728	WHPAYUPLDTVKQG-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@]1(C[C@@H]2CC=CCC2)CCC1(C)C	2068231352	XKNQZPOPRLQCQG-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)[C@@H]1CCC1(C)C	2068246176	SONCGQQGCLWUAQ-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)c1cccc2ccccc12	2068820493	XQAWDEYDYZPDFB-DYVFJYSZSA-N	241.378	4.522	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)c1cccc(C)c1C	2068843591	MKRKJPKTPOCEBC-PBHICJAKSA-N	247.426	4.636	0	10	BJAE	
CCc1ccccc1[C@@H](O)CC(C(C)C)C(C)C	2068844018	NVYSQOFOHZCVCG-KRWDZBQOSA-N	248.410	4.601	0	10	BJAE	
CCCC1(CC(=O)C2(C3CC3)CCCC2)CCC1	2069283719	FWOLZNFDERFGGR-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H]1CCCC2(CC2)C1	2070304398	NPMAAIXAJOPUSO-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCC12CCC(CC1)C2	2070409983	WCWGNZZHTSJXBM-GTPINHCMSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1CCCC12CCC2	2070412896	GWDUFWQPCJOLKR-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](C[C@@]23CCC[C@@H]2C3)C1	2070927355	SJDOHOHBERTMHG-ZOMKSWQUSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2CCC[C@@H]3C[C@H]32)CCC1	2071926776	TWPXKGDPGMRWSD-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
C=CC=CCC[C@@H](NC)[C@H]1CC[C@H](CCC)CC1	2072704852	SQDNYXRCFYSRTQ-BRWVUGGUSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H](C)CC1)c1ccco1	2072798348	IQTCHAJVVASBFH-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(N)C[C@H]3CC[C@@H](C3)C2)CC1	2072803297	GTRALPPBPRELQD-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C2CC3(CCC3)C2)CC1	2072881113	DNLGIZNBHGJLIS-HDJSIYSDSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)CN(C1CC1)[C@@H]1CCC12CCCCC2	2075008339	JDYMTUCGQMLKIO-OAHLLOKOSA-N	249.442	4.610	0	10	BJAE	
C1=C(CCN2CCC[C@@H]3CCCC[C@H]32)CCCC1	2075145743	LAILLDYLIFDJDZ-DLBZAZTESA-N	247.426	4.532	0	10	BJAE	
CC[C@](CNC1CC1)(C(C)C)[C@@H]1C=CCCCC1	2075364600	IGWHHXJIRYYLST-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(F)c1C(=O)CCCCCC1CC1	2075976208	FILRUUNRLSJYEP-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2c(C)cccc2F)C1	2075981212	PWIRDWBTJNWOIL-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN[C@H]1CCCC2(CCCC2)C1	2079651386	QAOCVVORXWMWHK-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@@H]2C2CCCCC2)CCCC1	2079852560	RFSBYKQXWHTBHF-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCCC1CCC(CNCC)([C@@H]2C=CCC2)CC1	2081682183	OQRKINBFCCTSQW-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(CN)CC23CCCC3)C1	2082986905	OJLOGWLBCDGWDZ-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@]2(C)C=CCCC2)C1	2082987437	QZESULXLENMUSJ-PBHICJAKSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CC(C)(CCC(=O)c2cccs2)C1	2211648679	VVFUSGCPVTYGKN-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CCCCC2CC2)C1	2214568734	JHXKUIDVJNXDBK-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CCCCC1CC1	2214571127	UYDDGFORYQTBJY-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@H](O)CCCCC1CC1)CC(C)(C)C	2214583970	PYDRUJFRNQRTAH-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCC1CC(F)C1	2215050608	NAWONDCHNKVQGO-IYXRBSQSSA-N	242.378	4.690	0	10	BJAE	
C[C@@H]1C[C@H]1C[C@H](N)CCCCCCCC1CC1	2216884453	VURFCTNOAHGSTJ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@@H]1CCC[C@H]1C	2217125780	RIKPWDLYJIKEHC-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@H](C)CC(C)C	2217133444	AOZLAQMXRXRVRU-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
C[C@@](N)(CCCCCCC1CC1)c1ccccc1	2218727539	RAUKUHAHHQPYBZ-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
O=C(CCCCCCC1CC1)C1CC2(CCC2)C1	2218733561	XVCVWVKFTAAWAD-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1CCC2(CC2)N(CCCCCCC2CC2)C1	2218734695	HYEZKHFCOVTRIX-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCc1ccc(CC)c(NCC[C@@H]2C[C@H]2CC)c1	2220923562	JXDLEKRWIMKCKP-HZPDHXFCSA-N	245.410	4.660	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@@H]2CCC[C@@H](C)C2)CC1	2221631877	ORMOXPQOPGDKCN-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CC[C@@H]2C[C@H]2C1	2223154315	ITZVOEUATWHEHS-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CCCCC2)CC12CCC2	2223593747	JHWFRLZWXZSCBT-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CC1(C)CCCCC1	2244780331	GFKUWXPAKKZVEL-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCC(O)(CC)CCC[C@@H]1CCCCC12CC2	2246625933	ICYCBXMWTRFPKR-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](C)CCCC[C@H]1CCC[C@@H](C)C1	2246723923	BCYXFUKEWHHUDA-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@@H](C)C1)CC(C)(C)C	2246731610	HUXDSTOUSPJVSF-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](O)CC[C@@H]2CCC[C@H](C)C2)CC1	2246735655	ZQVVWIPSENVFAU-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CCCC[C@@H]1C[C@H]1C	2247167255	WVEPZQJUTPUKOM-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1CCC1(C)C	2247397160	GTCHHGQIQQHANG-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CC(=O)c2csc(C3CC3)c2)CC1	2248068917	KOSFNZUECKEXQP-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)CCCCC[C@H]1C[C@@H]1C	2248806688	GUKYBLZUWMDCHX-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@H]1CC[C@H](CC)CC1	2250356161	PNJFYBJGCZIKTP-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)CNCCC1CCCCCC1	2250389209	HEFZFJSFIXPCMW-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H]1CCc2cccc(C)c2N1	2253875282	QHSIZQQZOUZCOJ-VNQPRFMTSA-N	243.394	4.548	0	10	BJAE	
C[C@H]1CC[C@H](NCC[C@H]2CCCCC23CC3)CC1	2253881551	QQTMRASWYXLWDL-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)NCC[C@H]1CCC[C@H]1CCCCC12CC2	2253891034	UVEFNIGKCFTQKT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2C[C@H]2C2CCC2)C1	2253930304	MKVRMXICENXAJA-VDERGJSUSA-N	248.410	4.598	0	10	BJAE	
CNC[C@]1(CC[C@@H]2CCC[C@H](C)C2)C=CCCC1	2253939895	WKMIDQUAZNKPJJ-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(N)C[C@@H]3CCC[C@H]3C2)C1	2253994426	DZSVDUMIIYDCIF-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C[C@H]1CCC12CCC2	2255020239	YESSCRFTLOAKEU-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCCC12CC2)C1CCCC1	2255277946	JOXHGGOJIONZRZ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](C)[C@@H]1CC12CCC2	2256443454	OMVKTQXMOPSJLO-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NCCCCC[C@@H]2C[C@@H]2C)cc1C	2257297194	BAJCCGGONFGBPY-JKSUJKDBSA-N	245.410	4.932	0	10	BJAE	
CC1=C(C)[C@](O)(C[C@]23CCCC[C@@H]2CC3)CCC1	2260615582	JEANCYGBTQIDLD-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1C[C@H]2CC[C@@H]1C2	2298626002	TWUFPZNHIQVVCG-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@@]1(C)C=CCCC1	2300681881	UCINNXJWPXQYMB-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@H](N)CC=C(C)CCCC(C)C	2300876662	IVTHPRLHULXUBS-BZUAXINKSA-N	237.431	4.523	0	10	BJAE	
CCC1([C@@H](N)CC=C(C)CCCC(C)C)CC1	2300877808	UXZNJQJJEDKFFJ-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
CC(=CCC1(CO)CC(C)C1)CCCC(C)C	2300932072	PCPPHXKYGSMUET-UHFFFAOYSA-N	238.415	4.558	0	10	BJAE	
CC(C)CCCCc1ccc2ccccc2n1	2302231390	RQIBZOJRVSPLPB-UHFFFAOYSA-N	227.351	4.604	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCC[C@@H]2C[C@H]21	2302851088	ZIKDFHRKJGFCPH-ZJIFWQFVSA-N	237.431	4.514	0	10	BJAE	
CC1(CC(=O)[C@@H]2CC[C@H]2C(C)(C)C)CCCC1	2303398139	ZOXNQSCPFDIGRB-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1C[C@@H]1CCC(C)=C(C)C1	2303599903	AQMXPEZTKLTUFL-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC[C@H]1CCC(C)(C)C1	2304400487	WRQFWJCEKNUDEG-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2CC(C)(C)CC2=O)C1	2304448274	WKULXXZHXJSDFK-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCC2(CCC2)C1	2307816960	KLEOPJWCLMYQQP-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CNC1CC1)CC(C)C	2307831331	JOIJAIROKZCWES-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CC2CCC1CC2	2307895042	OWSXXDLXSOPIRE-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309905628	GUKDNZDIIMPDTB-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H]2CC[C@@H]3C[C@@H]32)CC1	2310910527	CVDVPTHSUFYUDK-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1	2312906304	XJVQURIVORDKCZ-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)C[C@@]12CCCC[C@H]1CC2	2313323508	DAZNQFRPKFZSIP-DLTWYDFYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C(CC2CC2)CC2CC2)C(=O)C1	2313691606	HDTAOVDPEFJOLH-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(C(=O)[C@@H]2CCCC[C@H]2C)ccc1C	2314698586	AILMHKFLCGYLMW-CZUORRHYSA-N	244.378	4.566	0	10	BJAE	
CCC(CC)CCN1C[C@H](C)[C@@H]1c1ccccc1	2316238717	FPEVAKTUKMZRTP-WMLDXEAASA-N	245.410	4.506	0	10	BJAE	
CC(=CCN[C@]1(C)C=CCCC1)CCCC(C)C	2316493655	YYQUPDMMMNGGKU-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CC(C)(C)C(C)C	2317533367	KWCSTBVNDNLPTP-UHFFFAOYSA-N	247.357	4.771	0	10	BJAE	
CC[C@](O)(c1cccc(C)c1)[C@H](C)[C@@H](C)C(C)C	2317859437	PVPFKQZTCRAKKE-ZMSDIMECSA-N	248.410	4.521	0	10	BJAE	
C[C@@H]1[C@@H](Nc2cccc(C3(C)CC3)c2)CC1(C)C	2318242629	TYFBISRWIYCSNL-DOMZBBRYSA-N	243.394	4.585	0	10	BJAE	
C[C@@H]1[C@H]([C@]2(N)CCCCC23CCCC3)CC1(C)C	2318269538	GIAVMMZLHGAGIZ-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CN(CCCC1=CCCCC1)CCCC1CCC1	2318572483	FVTDDDDTYOXTJL-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CCCCC12CC2	2318591844	CIOWULNBHHIVPO-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
N[C@@H]1CCC[C@@H]1CC[C@H]1C[C@H]1C1CCCCCC1	2318792023	UPBZTAZHWMSODB-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC1CC(C2CCC2)C1	2318944962	UYTYAFIAJZBNRT-KNLHSXBVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC2(CNC3CC3)CCCC2)C1	2319287228	UDJUKUCMGHTULN-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCCC[C@@H]3C[C@@H]32)CC1	2319335985	BRDICFWFUBRINB-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC[C@H]1CC[C@H]1C1CC1	2319694583	YYLUYXWZFWCDTD-DZKIICNBSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CC[C@@H]2C2CC2)c(C)c1	2319752215	WOTBVJGIBHBMNP-JKSUJKDBSA-N	244.378	4.509	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1Cn1ccc2ccccc21	2320324914	OJBGDRQGXULHRO-HUUCEWRRSA-N	241.378	4.714	0	10	BJAE	
CC1=C(C)C[C@H](NCC[C@H]2CCC[C@H](C)C2)CC1	2320369735	WUCJPRWHIQJRCQ-IAOVAPTHSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(CC)C(=O)Cc1cccc(C(C)C)c1	2320641787	GNEBXXHJSJVQMW-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCC(C)(C)C2)cc1F	2321527715	HQHWOSKNQZTGJV-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
CC1(C)CC[C@H](CCC2C[C@@H]3CCC[C@H](C2)N3)C1	2321651456	YEOGJHHTQXQBKU-HNSVSWJLSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)CCC2CC2)c1F	2327807793	LQOQAODOTYDVCT-GFCCVEGCSA-N	249.373	4.940	0	10	BJAE	
CCC(C)(C)CC=C1CCC([C@H]2CCNC2)CC1	2327904657	COHZBUIITUXIHV-LYKKTTPLSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1ccc2occc2c1	2328199502	HURDSGPIXMRYDN-IUODEOHRSA-N	245.366	4.649	0	10	BJAE	
Cc1ccc(Nc2cc(C)nc3ccccc23)cc1	5330818	AERFJDGDZYOCKE-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
Cc1cc(C)cc(NC2[C@@H](C)CCC[C@@H]2C)c1	19989100	IDLDUSJRHKAZOQ-KBPBESRZSA-N	231.383	4.540	0	10	BJAE	
CCc1ccc([C@H](C)Nc2cccc(C)c2)cc1	21012416	NKFZWCXHUMVWIH-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
CCCN[C@H](c1ccc(C)s1)C(CC)CC	35573274	HEVAAPGRRWGMBF-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc(CC(C)C)cc1	36468282	VDSMFLLAULVDFQ-QGZVFWFLSA-N	248.410	4.889	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)c1cc(C)oc1C	36792502	RBCHPHVTAIZUTG-YPMHNXCESA-N	237.387	4.516	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](c1cccs1)C(C)C	37302513	PREPJFRPTIIWSV-TZMCWYRMSA-N	239.428	4.614	0	10	BJAE	
CCc1cccc(C)c1NC1CCC(C)(C)CC1	79627082	DDFDNEAZMDVMIO-UHFFFAOYSA-N	245.410	4.938	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1c(Cl)cccc1Cl	83847872	FPYFSFHMTPKJDM-IUCAKERBSA-N	246.181	4.840	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccsc2)c(C)c1	85528203	WIWXLTOZDPDUEE-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCCCC1(C)C	86873880	FZLJFHTYVVGSEG-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cccc(F)c2C)CC1	86907290	MJDYHTHQJDWVQX-KGLIPLIRSA-N	249.373	4.905	0	10	BJAE	
CCC[C@H]1CCC[C@@H](Nc2ccc(F)cc2)CC1	86922609	NBONEAVGBLXZIH-DZGCQCFKSA-N	249.373	4.987	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(C2CCCC2)CC1	86955879	VZTDDURRRWFWKK-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)COc1cc(C)c(N)cc1C(C)C	87465545	ILAZGRSNTXCHNA-LBPRGKRZSA-N	249.398	4.516	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C1CCC(CC)CC1	87937790	ABEYRJQYRMPLHV-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC[C@H](C2CC2)C1	88510149	ATXBWRQTVXYHMS-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)C1CCCCC1	103986921	ZAIOOLGVDDPYNH-AWEZNQCLSA-N	245.410	4.938	0	10	BJAE	
CCCCc1ccc(-c2cc(N)ccc2C)cc1	109774303	DVVHZBWUJMNWQI-UHFFFAOYSA-N	239.362	4.587	0	10	BJAE	
N[C@H](CC1CCCC1)c1ccccc1C1CCC1	132642731	SIMVFNXGTFWDGC-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CCC[C@H](NCCCCC(C)C)c1ccccc1	134291322	RUKGWNFULXDUSC-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
Cc1ccc(-c2ccc(C)c3ccccc23)c(N)c1	164299344	FYACYECOLLESOV-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@@H]2C(C)C)c(C)c1	214447851	XGEXBTWDDXBVGU-WBVHZDCISA-N	245.410	4.930	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1cc(C)cc(C)c1	229474287	NLOGPWXDFZDANP-HOCLYGCPSA-N	233.399	4.520	0	10	BJAE	
Cc1nc(-c2csc3ccccc23)sc1C	259099387	AONUKDKPJFETMR-UHFFFAOYSA-N	245.372	4.642	0	10	BJAE	
FC(F)(F)Cc1ccc(C2CCCCC2)cc1	259455042	QQOAYKZXWLHHAM-UHFFFAOYSA-N	242.284	4.839	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCC[C@H](C(C)C)C1	300316852	WYFXWIVOXMMLJX-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)(C)C)[C@H](C)CCC	300460464	AUXKYWKENYKMHR-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCCC(C)(C)C)[C@H]1C	302314909	PLUHPNITESEXJF-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)c2sc(SC)cc2c1	306602989	DEJBEAKZFCXKJX-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCc1ccccc1[C@@H](O)[C@@H](CC)CC(C)C	308030342	NPMZMLPPOGJQCK-YOEHRIQHSA-N	248.410	4.745	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NC)C1CCCCC1	308054709	PAKSNQUKDBKKAF-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1csc(CCC(C)(C)C)n1	308743239	MXDBLNUVHAQOLO-SNVBAGLBSA-N	225.401	4.635	0	10	BJAE	
CC/C=C/CC[C@@H](C)c1ccc(C)cc1O	309058914	LPIMSHLHHAJDKG-URWSZGRFSA-N	218.340	4.551	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C(C(C)C)C(C)C	310085657	AJEPYBYNTMDLAI-GJZGRUSLSA-N	242.447	4.882	0	10	BJAE	
CC(C)C[C@H](C)C1(CNC(C)C)CCCCC1	310261000	QMWSWEZSSWVJSB-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CC2(C)CCCC2)C1	310497732	HFAXOGZEHGMRAQ-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
Cc1cc(NC[C@H](C)C2CCCCC2)ccc1F	310761445	ABGALGGWEVKAJC-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
CC1(C[C@H](O)c2ccccc2C2CC2)CCCC1	311154170	NZBJVJORCIQEHQ-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCC[C@@H](N[C@@H](C)c1ccc(C)o1)C1CCCC1	313416802	VRPCHONYFWFUPO-DZGCQCFKSA-N	249.398	4.598	0	10	BJAE	
CCNCC1(C2CCCC2)CCCCCCC1	317324604	JQXCOSYEPWZWAS-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@@]1(CNC(C)(C)C)CCC[C@@H](C)C1	318015004	XCBPQXDLNQNLEN-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)[C@H](C)Oc1cccc2ccccc12	319705501	YIZFOSATLZAYKV-OLZOCXBDSA-N	228.335	4.653	0	10	BJAE	
CCCCCSc1c(N)ccc(Cl)c1C	379823595	USCSIFNLEFVVDC-UHFFFAOYSA-N	243.803	4.513	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H]2CCc3cc(N)ccc32)C1	380773139	UDNDDYJEVQZGQQ-XJKCOSOUSA-N	243.394	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC3CCC2CC3)c1	381937311	AFKRBUASDXYXEP-KVULBXGLSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)c1ccoc1	385206144	PSDNHHUAVXEWCA-INIZCTEOSA-N	247.382	4.601	0	10	BJAE	
Clc1sccc1NC/C=C\c1ccccc1	387369627	FTGJHFHDBAPQGO-DAXSKMNVSA-N	249.766	4.527	0	10	BJAE	
CCCC1(CN[C@H]2CCC[C@@H](C3CC3)C2)CCC1	391776378	JXJXWWPKHPWRDK-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNCCC2=CCCCC2)C1	394604952	HAEUASNDNZNIAR-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H](C)CC(C)(C)C)c1	394974740	BOSCQFKJEQXJJW-NSHDSACASA-N	239.790	4.885	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1cccc(Cl)c1	395112112	AUIXLNBRHOANRF-ZDUSSCGKSA-N	240.774	4.590	0	10	BJAE	
CCC[C@H](Nc1cc(C)ccc1F)[C@@H]1CC1(C)C	397834434	XOIBEJOAJHDUMM-JSGCOSHPSA-N	249.373	4.761	0	10	BJAE	
C[C@@H](C[C@H](O)C1CCCCCCC1)C1CCC1	398632763	SHXMZIZOLZKEPC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@](CNC(C)(C)C)(CC2=CCCC2)C1	401070650	IKEHNKLZBNUGFN-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1ccc(F)cc1C	401837899	OPCZIMOTNVROEW-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC(C)(C)c1ccccc1	686651272	BPIZXEFHIWIKKN-HNNXBMFYSA-N	248.410	4.542	0	10	BJAE	
CCCC(CCC)C(=O)CCCC1CCC1	688894002	DQZMFRJFPGBLHR-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNc2cccc(C3CC3)c2)C1	690076931	VHUYOVJYQFKECS-ZIAGYGMSSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccc(C2CC2)cc1	690102212	ISCDPDRMMAWFAO-CXAGYDPISA-N	243.394	4.945	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)c1cccc(C(C)(C)C)c1	691648273	APHMAPYGKBAPHL-CJNGLKHVSA-N	247.426	4.666	0	10	BJAE	
CC(C)(C)c1cccc([C@H](N)CCC2CCC2)c1	691650192	GMJKWCQZQMBNBA-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C1CCCCCC1	696245954	BHSZWEKIGDLYSU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1ccc(CC(C)C)cc1	696559961	COFLIKRBFYZUCE-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
CC[C@@H]1CC[C@H](CN)[C@@H](CCC(C)(C)CC)C1	696806984	RBEJICJYHMNGEK-QLFBSQMISA-N	239.447	4.604	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H](C)C(F)(F)F)cc1	698749028	CCLYZLFOWFEMTC-NXEZZACHSA-N	245.288	4.563	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCCC(F)(F)C1	702565994	QZFQUOCSQYAKOI-OLZOCXBDSA-N	247.373	4.513	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(N)CC1CCCC1	704915246	RQEDBAGTRXTOQU-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@]1(N)CCCCC[C@@H]1CC	704951947	OKQUDCUEBVRHQU-LSDHHAIUSA-N	225.420	4.645	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@@]1(C)C[C@H]1C	707744273	UXDNSNRBONTZLU-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](N[C@@H](C)C(C)(C)CC)c1cccs1	710023277	GOUIBQRBQZYQLY-NWDGAFQWSA-N	239.428	4.614	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2C[C@@H]3CCCC[C@@H]32)cc1	712392916	AHROJUKROWHOBP-BHYGNILZSA-N	243.394	4.801	0	10	BJAE	
Cc1cc(N[C@@H]2CC(C)(C)CC[C@H]2C)cs1	713057774	HZGZCNSKTRLJGF-ZWNOBZJWSA-N	237.412	4.683	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](CC(C)(C)C)C1	713251708	ZPLFHYHIHYSYEQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@@H](CC1CCCCC1)NCCC	713687711	VNKXDPKFVSCGGO-OSJSJHBBSA-N	249.442	4.847	0	10	BJAE	
CC(F)(F)CCC[C@@]1(O)CCCC(C)(C)CC1	718640714	YFKBZCYAQOQNIZ-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
CC(C)=C(C)CCc1cccc(C(F)(F)F)c1	718665771	CMJNKDXHGNZMMP-UHFFFAOYSA-N	242.284	4.994	0	10	BJAE	
O[C@@H](CCCC1CC1)c1ccc(C2CCC2)cc1	720171677	NVMLEFUAENLAGZ-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)[C@H](C)CCC	723569507	XVJFYPACCNEPEY-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)S[C@H]1CCCc2ccccc21	1188676063	CZNHXZRZWJZKEX-DOMZBBRYSA-N	234.408	4.842	0	10	BJAE	
CCCC[C@H](C=C(C)C[C@@H]1CCCCN1)CC	1881479061	UGIXZNDJKCWWJE-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)[C@H](N)CCCC1CCCCCC1	1901061950	XQOVHKXSUGJYJT-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)[C@@H](C)CC	1905434687	LVTKEZXLSBUNOH-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(O)CCCC(C)(C)CC1	1908581432	GQBOAPPWINOUDN-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(=C[C@@H](C)C1CCCCC1)C[C@H]1CCCCN1	1911851049	AGVAYBBNPWKHQE-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
O[C@]1(C[C@@H]2CC=CCC2)CCC2(CCCCC2)C1	1915885929	OTWMVUMTKJSTTL-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@@]1(CC2CCCCC2)C=CCCC1	1916603616	SXMYJKLBIHRKLE-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@](O)(CC)c1ccc(C(C)(C)C)cc1	1919474309	KVCOANQUYASRLI-QGZVFWFLSA-N	248.410	4.772	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)c1ccccc1C1CC1	1919978681	ZSOYEPBKQZHVKU-GUYCJALGSA-N	246.394	4.598	0	10	BJAE	
CC(C)C[C@](O)(CCCC1CC1)c1ccccc1	1920034947	CNTMUKIUMLNUKG-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CC[C@H](C[C@@H](O)CC[C@@H]1CC1(C)C)C(C)(C)C	1921554536	VASRUJVNTGABNW-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H]([C@@H](C)C1CCCCC1)C(C)(C)CC	1924079247	UBBZENXYYHWYSK-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
O[C@@]1(C[C@H]2C=CCCCC2)CCCC12CCCC2	1925905370	WFTYLCICBPDDKU-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc([C@H](O)CC(CC)CC)cc1CC	1926380104	QDIFRXKWCXFDFA-QGZVFWFLSA-N	248.410	4.671	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](O)CCCC	1933360863	JGDHAZOKXQKVOC-UONOGXRCSA-N	214.393	4.534	0	10	BJAE	
CCC[C@H](NC)C1CCCCCCCCC1	1938719316	SHBFLPHAIQPZII-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@H](CCC)C(C)C	1941263012	LOSWRRNPPKMOJY-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
Cc1cscc1COc1ccccc1C(C)C	1941475442	WICUBELBHNRDPO-UHFFFAOYSA-N	246.375	4.759	0	10	BJAE	
CC[C@H]1CC[C@@](CN)(CCCCCC2CC2)C1	1941580811	DLWLSAQQKPOCBF-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CC(C)CCCCC[C@H](N)C1(C)CC(C)(C)C1	1941977559	URZSGZWQIJMLEJ-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1C[C@H](C)C[C@@H](C)C1	1943035891	GNSZYMLCIJQEHP-CHWSQXEVSA-N	236.399	4.764	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccccc1C1(C)CC1	1944596022	JVRJBQXJSQAAKH-QWHCGFSZSA-N	231.383	4.585	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)CCC2CCCCC2)C1	1945582723	NVFBUWQZJYOXGS-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(=O)CC12CCC(CC1)C2)C(C)(C)C	1950956801	BYISVALSSODSIW-FUJMWEONSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@@H](C)C[C@@H](CCN)C1CCC1	1952129622	KOMMITYIZCENJY-GDBMZVCRSA-N	237.431	4.524	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]2C2CCCC2)CC1	1966023059	PNMUQGFVWDROMF-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CN[C@@H]2CCC[C@H]2C2CC2)CCC1	1966048453	MFGGTKNQUDASKF-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@@H]2CCCC[C@@H]2C1)C1CCC1	1967860722	QBSHUYVBTZOUMQ-HZMVEIRTSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccc(NC[C@H]2CCC(C)(C)C2)cc1	1968425519	FBGFXKKLHJMUHJ-HNNXBMFYSA-N	245.410	4.877	0	10	BJAE	
CC[C@@](O)(CCC(C)C)[C@@H](C)CCC(C)C	1986944755	SYTUPISJPAAPKU-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
CCC1(C[C@@](O)(CC)CCC(C)C)CCC1	1988434115	CFOZMHFWGBNDSN-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCc1cccc(CC)c1N[C@@H](C)[C@H](C)CC	1995659682	YLHYZDXJUJJJRR-OLZOCXBDSA-N	233.399	4.658	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N(C)C[C@H](C)C(C)(C)C	1995748804	VTAQMFZSJGPEHJ-ILXRZTDVSA-N	239.447	4.569	0	10	BJAE	
CC1CCC([C@](C)(O)CCCC2CCC2)CC1	1996546105	GURBIHVXVIPPRJ-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](Nc1ccccc1SC1CC1)C1(C)CC1	1996550763	XDZVZVVQUMAZNA-LLVKDONJSA-N	247.407	4.542	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(O)C1CC2(CCC2)C1	1998654246	IQUYYPHOXGBNRH-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCCC)C1CC(CC)C1	2002304372	HCLVRYDXLZHAKJ-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C(=O)C[C@@]1(C)CCCCC1(F)F	2002587045	KKRSSUHYSGYNIT-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
C[C@H]1CC[C@H](CC2(O)CCCCCCCC2)C1	2003111992	QJKLAZSJKSLAOX-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC=CCC1)c1cccs1	2003689162	YMBHKFNNQZGXHN-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
CC1=CCCC[C@H]1N[C@@H](C)c1cc(C)sc1C	2007023305	ICAKDQHDTABBLD-SWLSCSKDSA-N	249.423	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C1(C)CCC2(CC2)CC1	2007687669	DQRDGCZMUGIPQH-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(C)([C@@H](O)CC2(C)CCCC2)CC1	2007695620	KDYDRIUQJNEVMH-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1CC(CC)C1	2007772139	CRAFBULNTXYNJW-YMAMQOFZSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CC[C@@H](CC2(C)CCCCC2)[C@H](N)CC1	2009405581	AFCGFHLKNFINJB-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](N)[C@@H](C[C@@H](C)CC(C)(C)C)CC1	2009419018	HFQBFGBNLVGZFZ-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
CC=CCCC[C@H](O)c1ccccc1C(C)C	2009587469	FMMHDVWMZVQBKN-INIZCTEOSA-N	232.367	4.590	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CCC[C@H]1C	2009617481	SPBGHRDLBOZPRZ-CLTGJZPWSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC[C@H](NCCC)[C@@H]1C	2009620972	ZSHSGLOSQKSSJI-CLTGJZPWSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H]1NCC[C@@H]1C1CCCCCCC1	2009772454	OTEHMDGFADHJIA-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@]1(C[C@@H]2CCC[C@@H](C)C2)CCCN1	2009773180	YCGZPAVSBDBXAI-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](O)[C@H](CC)CC(C)C)CC1	2010722552	PSRUTBAHPQDNMK-FMKPAKJESA-N	238.415	4.556	0	10	BJAE	
CN[C@H](CCCC(C)C)C1=CCC(C)(C)CC1	2010767800	HDCLQHFAMCUHHR-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC1CC(=C2CCC2)C1	2011067258	HYDWOOSRZOXMCZ-GFCCVEGCSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)C[C@](CC)(CNC(C)C)C(C)C	2012422538	XCBJVDVLMZWDEZ-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@@](CC)(CC1CCCC1)C(C)C	2012423706	BEGZMKJIWMJGJE-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@](CC)(C[C@H](C)CCC)C(C)C	2012424960	HDYPRLFCYZZTGO-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1C=CCCC1(C)C	2013270733	LDJQQNHCTOBZPU-CABCVRRESA-N	237.431	4.536	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CC1(C)CCCCC1	2013271760	VHYDMFUZVPUARU-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CCC(C)=C(C)C	2013310317	YFKNKFUNVFFJKU-MRXNPFEDSA-N	239.447	4.879	0	10	BJAE	
CCCC[C@@H](C=C1CCN[C@@H]1C(C)(C)C)CC	2014550598	UBJSRLQWNSDEBE-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@]1(CC(CC)CC)CCC1(C)C	2014849907	RFWJCZBXBCYBMF-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@H](C)CC(=O)[C@@]12CCCC[C@H]1CCC2	2015388626	WOUBSERAKTVWFY-IJEWVQPXSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)C[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2015396449	DWBMADSTAAHEDN-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC(C)(C)C(C)(F)F	2016120608	WOBWDTQKHCPYKV-CYBMUJFWSA-N	247.373	4.522	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cc(F)ccc1C	2016143755	GYYPXRGZUBKDPV-CYBMUJFWSA-N	235.346	4.681	0	10	BJAE	
CC(C)=C(C)CNc1ccc(C(C)(F)F)cc1	2017462796	FOAWKDWXAJTHEH-UHFFFAOYSA-N	239.309	4.567	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(C[C@H]2CC[C@H](C)CC2)C1	2017650222	DUONTFISFAJFDO-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@@H](NC)C(C)(C)C)CC1	2017729348	VXTVAYWMNATERD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CC[C@@H](CC)C2)CC1	2017732313	ZYVQYKSYCRAXTL-GYTBAZASSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H]2CCCCC[C@@H]2NCC)CC1	2018987303	JFQSHCRLZVKCSO-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)[C@@H](C)c1ccccc1	2019113649	IYJRGYPTQLBGHM-KBPBESRZSA-N	233.399	4.504	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CCC[C@H](C)CC1	2019382426	PEDGTMRFWJHDGW-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
C1=C[C@@H](Nc2ccc3sccc3c2)CCCC1	2019498880	UVDVWLQTYFEXDN-CYBMUJFWSA-N	243.375	4.812	0	10	BJAE	
CC1(C)CCC[C@H](CCCCCC2CC2)[C@H]1O	2020400875	QKTPLVREWNRSJX-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)C1CCCCCCC1	2022483313	KAPRBTDSMVLXJT-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)C1(C)CCC(C)CC1	2022556948	JXKKGGFWRSACJF-IOSBVQAASA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)CCCC(C)(C)C)[C@@H]1C	2022992163	LWFVIMCZMOOXED-KFWWJZLASA-N	239.447	4.569	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](C)c1ccsc1	2023445986	FJZNRQXCTXDWOD-JTQLQIEISA-N	249.354	4.623	0	10	BJAE	
CC(=O)C[C@H](C)CC1CC(C)(C)CC(C)(C)C1	2024092417	QZQPZJLXLIRXQW-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](O)CCCC2CC2)C1	2024126578	XKYGTZOLLQWKQH-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC1CC(C)(C)C1	2026168037	WZHXAVWWOXYHQF-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CCCCCC1CC1	2028632377	ZAJZBFKXMNKCEB-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
CC(C)(CCC(=O)C1CC[C@@H]2C[C@H]2CC1)C1CC1	2028961735	MRPFKPCIBSHJSM-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@@H](N)c2ccc(C3CCCC3)cc2)CC1	2031744069	GPCLCGMHWTXYSE-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC1(C)CC(CC(=O)[C@@]23CCCC[C@H]2CCC3)C1	2031855587	QAGFQAYXENGVBS-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
Fc1ccc(NC2CC(C3CCCCC3)C2)cc1	2033828968	CMQNDBWBXDALEQ-UHFFFAOYSA-N	247.357	4.597	0	10	BJAE	
CC(C)(CNCC[C@H]1CC=CCC1)C1CCCC1	2034014976	ACHFHMJBTUFPRS-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](C[C@@H]2C=CCC2)C1	2035604024	YAMCVTNYKGGEPH-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CCC2=CCCCC2)C1	2037171877	OWCVGKYYOVRQBO-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
C[C@@](N)(CC1CCCC1)[C@@H]1CCC2(CCCC2)C1	2037580396	KQCUZZNURIMUBA-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H]([C@@]2(N)CCC3(CCCCC3)C2)C1	2037587295	BCBGWINNCQCWFM-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H]1[C@@]1(N)CCCC2(CCCCC2)C1	2040767844	YATUFQGCGPCDDH-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](C[C@@H]2C=CCC2)NC)CC1	2041381684	BCIPFLKWEIOLBE-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@H]1CC=CCC1	2042018996	KTGNZFCOYCICTP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2042345541	ROSXFWPSQMCVQX-MWDXBVQZSA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C1=CCCCCCC1	2042738230	JRAOUUHGJBUETQ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)[C@H]1C=CCCC1	2043188205	RRDWADCJLBEBGW-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H](C)c1ccccc1	2043192240	UFHCRLYAHZRFPU-GJZGRUSLSA-N	243.394	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(N)C1CC2(CCC2)C1	2043541501	SSYABCOMYRWXOF-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
C[C@]1([C@@H](N)C[C@@H]2CCC=CCCC2)CC=CCC1	2045322422	FBYBXUPVTCDIDB-IKGGRYGDSA-N	247.426	4.587	0	10	BJAE	
CN(CC1CCCC1)C1CC2(CCCCCC2)C1	2046330183	SYIMDFLGVQWWKF-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC23CCCC3)CCCCCC1	2047027277	QKPRFABUDHTSHI-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C[C@@H]1CCC12CCC2	2047940333	ULYOFPIUNZTORN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC1(C(=O)CC2[C@@H]3CCCCC[C@@H]23)CCCC1	2048471504	JYTZAXQEYVVYRJ-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C1CC(C(C)C)C1	2048584090	VWSFSTRUBKDNMS-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@]1(CN)C[C@@H]1CCCC2(CC2)C1	2049846509	TXJJTVOVMPBOJQ-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@@H]1CCC2(CC2)C1	2049849035	NMFSPAQCUDIETR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC(C)=C(C)C)c1ccccc1F	2050492490	OYXVMGAKPAELMJ-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCC1(CC)CCC(Nc2ccc(C)cn2)CC1	2051660659	ORZIEVKLIBSJOF-UHFFFAOYSA-N	246.398	4.551	0	10	BJAE	
CC1(CC(=O)[C@H]2CCCCC23CC3)CCCCC1	2053356455	KKZNVLNMDMYFNA-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
N[C@H](C1=CCCCCC1)[C@@H]1CCCCC12CCC2	2053412701	QFEBYVVOKSYHFC-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@]1(N)CCCC2(CCCCC2)C1	2055301508	OBZNLSCAKUJWJH-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
FCc1ccc(NC[C@@H]2CC23CCCCC3)cc1	2055671688	KURICOYWALINAZ-AWEZNQCLSA-N	247.357	4.538	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2CC(C3CC3)C2)CC1	2056646118	RQVADARGSBIONS-LYSZQXJVSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC2CC(C3CCC3)C2)CC1	2056666189	NWIAXPBOZUUXDK-OYRUBNOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NC1CC(C2CCC2)C1	2056692657	XUJZHUGZAXUQLA-YJNKEBTESA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C1CC(CCC)C1	2056873631	PENRVFPOABJHIC-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C=C1CCCC1)C1(C)CCCCCCC1	2056873672	PMYWUPNLRSXYCA-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC=CCCC[C@H](NCC)c1ccc(F)cc1C	2059225315	LTUMXZXRDOQXQH-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC1CCC(N)(C2=CC[C@H](C(C)(C)C)CC2)CC1	2061113048	LFWAUHQQBFCNIW-UUCFBXCCSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@@H](N)C2(C)C(C)(C)C2(C)C)CC1	2061141470	VQEAXDLEDICRJU-CYBMUJFWSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CC[C@@]12CCC[C@@H]1C2)C1(CC)CC1	2061570113	BPNCMRITUWDERE-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C1CC(=C2CCC2)C1	2061734514	NUYKBXKGKORKNA-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC)CCCC1CC(=C2CC2)C1	2061741148	HWASHMNUSOHJFP-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)[C@@]3(C)CC3(C)C)C2)C1	2063208656	QBFCNAWOKIRMJK-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
C1=C[C@@H](NC2CCC3(CCCCCC3)CC2)CC1	2065897301	OCGMQGRPOOHSPE-OAHLLOKOSA-N	247.426	4.578	0	10	BJAE	
CC[C@@H]1NCCC12CCC1(CCCCCC1)CC2	2065897662	NFRBZALBEPRACR-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C[C@]12CCC[C@@H]1C2	2070969777	CPVCBTDWMFNYSZ-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(CN2CCCC23CCCC3)CCC1	2071920006	QLBSTLXIDNMEJR-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1C)C1=CC[C@@H](CC)CC1	2072096479	UDDVTGKXSQFTPL-MUIFIZLQSA-N	249.442	4.537	0	10	BJAE	
CCc1ccccc1NC[C@H]1CC[C@H](CC)CC1	2072793236	IMXIBAQHERZIKF-SHTZXODSSA-N	245.410	4.877	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CC[C@@H]3CCC[C@@H]32)CC1	2072800798	HTYNFWIXMUSOCK-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@]2(CCN2[C@H]2C=CCCCC2)C1	2075406572	BUHGAZNBNTZFMA-RDJZCZTQSA-N	247.426	4.530	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CC1)C1(C)CCCC1	2077262193	OCBLICVONFVCTA-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccccc2C2CC2)CC1	2077262343	RQJSYTBTWTUDGJ-DZGCQCFKSA-N	243.394	4.945	0	10	BJAE	
c1ccc(C2CCC2)c(NC(C2CC2)C2CC2)c1	2077263914	GMEWNMWSPRCDHY-UHFFFAOYSA-N	241.378	4.555	0	10	BJAE	
CCCCc1ccc(C(=O)C[C@@H]2C[C@@H]2CC)cc1	2077932051	XGKFUXXVVHCREZ-HOCLYGCPSA-N	244.378	4.648	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1C[C@H]1C1CCC1	2079314688	FAXAJYBPJHPURW-VNQPRFMTSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@H]1C[C@H]1CCC	2079441202	WAUMSZVLSCOAQW-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1C[C@H]1c1ccccc1	2079852981	TVMVNJVNSMGGPN-WBVHZDCISA-N	244.378	4.720	0	10	BJAE	
C[C@](N)(C[C@@H]1C[C@@H]1C1CCCC1)C1CCCCC1	2079882851	AXRZYRJSJUAKPP-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)CC2=CCCCC2)C1	2082979820	QMMZEEWNPJFPAN-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CCC1CCC([C@@H]2CCCNC23CCCC3)CC1	2083814935	YFNBAMQBHMLJLT-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C[C@H]2CC23CC3)CC1	2086518578	ADHKXLURSVDPJA-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
C1=CCC(CC[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2210344905	RUCVKHAFORVJFJ-ZSHCYNCHSA-N	218.384	4.949	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC[C@@H]1C[C@@H]1CC	2215245893	IIQFIGHBZWKDBE-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CCC(N)(CC[C@H]2C[C@H]2C)CC1	2215246427	FXPZDSBAUWMTAD-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCN[C@@H](C(C)C)C1	2215275311	CVUWHRSQGGKIQS-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC1=CC[C@@](C)([C@H](O)CCC(C)=C(C)C)CC1	2215813640	OMHDFOVFIISJEX-HZPDHXFCSA-N	236.399	4.620	0	10	BJAE	
CCCCC[C@@]1(CNCCC)CC=C(C)CC1	2215836250	AYPXUXDLESQQQG-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
C[C@@H]1C[C@@H]1C[C@@H](O)CCCCCCCC1CC1	2216861412	GIHKSJYEWAIZIU-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@]1(CN[C@H](C)CC)CC=CCC1	2217152866	HXLIZVODPPLOHV-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)[C@@]1(CN[C@@H](C)CC)CC=CCC1	2217152868	HXLIZVODPPLOHV-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
C[C@](N)(CCC1CC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218362079	SXEDXQOANLUQSS-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCNC1[C@H]2CCCCC[C@H]12	2218721982	XGANQKMOVBGWGS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC2(C)CC3(CCC3)C2)C1	2220937486	YACVFIVBDVSDNL-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(NCCCCCCC2CC2)CC2(CCC2)C1	2220977434	FXXMNIPBDONSIY-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)C[C@@H]2CCC23CCC3)C1	2221023296	PJLLPEWMUCLXFM-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1CC(C)(C)C1)[C@]1(C)CC=C(C)CC1	2221615237	YMRGNWKIEHCJKN-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1C)[C@]1(C)CC=C(C)CC1	2221633039	SLMIQYZETFQMPK-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C(CCCCCCC1CC1)=C1C[C@@H]2CC[C@H](C1)N2	2223132081	FWGOYERDTIKIJI-CALCHBBNSA-N	247.426	4.578	0	10	BJAE	
CCC1(C[C@@H](N)c2ccc(C3CCC3)cc2)CC1	2223698623	AYVGMRUFCUPRJB-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1ccc2occc2c1	2224126791	BJIUUKFFOSHXOM-WBMJQRKESA-N	246.350	4.683	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)[C@H](C)c2ccccc2)C1	2224177770	YEFRWSKIGAOVEQ-YCPHGPKFSA-N	244.378	4.576	0	10	BJAE	
CCCCC[C@H](O)CCCCC[C@H]1C[C@H]1C	2243912337	BOEDVXCSVZJMHY-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CCCCCC(C)C	2244775298	MLWXYVFGZFGJPV-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(F)c(C)c1F	2246377273	FEGGINILKWJENW-SNVBAGLBSA-N	241.325	4.654	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C2CC(C)(C)C2)C1	2246662928	JBNIZIXNFSJZCW-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1CCC1(C)C)NCC	2247299371	CFKJVQSPGJBTPA-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1sc(C)c([C@H](N)CC2=CCCCC2)c1C	2248295630	FMUDBUSTWKZWAS-CQSZACIVSA-N	249.423	4.564	0	10	BJAE	
CCCN[C@H](CC)CCCCCC[C@H]1C[C@H]1C	2248805621	BOEPPJGPGWBROD-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H](C)CNc1cccc(C(C)(C)C)c1	2249257710	HTWGXMCHPVJJPC-ZDUSSCGKSA-N	233.399	4.688	0	10	BJAE	
CCc1nc2cc(C)c(C)c(C)c2c(Cl)c1C	2249501431	QPQOEHNAKUVZHC-UHFFFAOYSA-N	247.769	4.684	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(C(F)F)cc1	2250377787	HVPZBCHPEBSYHP-LLVKDONJSA-N	241.325	4.862	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C[C@@H]1CCCCN1	2250480656	HENOVNMVUBKCQN-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(F)C(C)(C)N	2250521311	AOSCVDAOIWTJIO-DZGCQCFKSA-N	245.426	4.695	0	10	BJAE	
CN[C@H](CCC[C@@H](C)CCCC(C)C)C1CC1	2250528772	NWVHRKKKYMCXMK-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)NC[C@]12CCC[C@H]1CC2	2251142568	VDWYIUCZTAQIEJ-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)C2CC3(CCC3)C2)C1	2253935839	PTRKOQJVOHBUJY-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC1(CC2CC3(CCCC3)C2)CCC1	2254060809	LPXZFZHNCWPLGJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CC2(CCCC2)C1)C1CCC(N)CC1	2254077699	RXZYRQLEIAPANW-IUDNXUCKSA-N	249.442	4.501	0	10	BJAE	
Cc1cc2ccccc2n1CCCC[C@@H]1C[C@@H]1C	2254535677	FKPQJQVTTWDELZ-DZGCQCFKSA-N	241.378	4.776	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CCc2ccccc2N1	2254580497	PFGZEBWIRLOPMU-VNQPRFMTSA-N	243.394	4.630	0	10	BJAE	
Cc1cc(NC2C[C@H](C)C[C@@H](C)C2)cc(C)c1C	2258234838	WQJNQHJCEBCPIR-VXGBXAGGSA-N	245.410	4.848	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccc2ccccc2c1	2259447325	MCOQNPFHYLVWIV-SUMWQHHRSA-N	241.378	4.666	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@]12CCCC[C@H]1CC2	2260523801	GVABDTGEJDVONE-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC1([C@@H](N)C[C@]23CCCC[C@@H]2CC3)CCCCC1	2260658134	NCFWCIFOZZEWEO-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(C2=CCCCCC2)C1	2261368909	JYRJQYOWWDVPLB-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CCCNC[C@@](C)(CCC)[C@@H](C)CC1CCC1	2298872433	ZSEKJUGTNGLPPE-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H]1CCC1(C)C	2300872129	MMKVDPXHHDNFOU-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@H](C[C@@H](C)CC(C)(C)C)NC	2300909147	KZOOQUAEHUBJGQ-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@@H](CC)CC=C(C)CCCC(C)C	2300910843	DEYUPYSTNDFYSF-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCN[C@@H]1C[C@H](CC)C[C@H](CC=C(C)CC)C1	2300925940	HOJBXVCFSPXDBQ-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@H](C)[C@@H](C)C(C)C	2301964682	MKLKCZCCYUTLRY-RRFJBIMHSA-N	240.431	4.946	0	10	BJAE	
CC(C)CCCc1ccc(C(F)(F)F)cc1F	2302224189	CCTHPGMSBROHAQ-UHFFFAOYSA-N	248.263	4.823	0	10	BJAE	
CC[C@H]1CCC[C@@]1(N)CCCC1=CCCCC1	2302331943	QKVORJHSMSBWFO-HOTGVXAUSA-N	235.415	4.565	0	10	BJAE	
CCCCC(C)(C)NCCCC1=CCCCC1	2302346115	BOLYEQRQEZYEOY-UHFFFAOYSA-N	237.431	4.825	0	10	BJAE	
CN[C@@H](CCCCC1CC1)[C@@H](C)CCC(C)C	2302571228	IMBWYBQGBUAJFM-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CC(=O)CCC[C@H]2C[C@@H]2C)CC1	2302609235	DNPZSLCKAUBOOK-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@@H]1CC[C@H]1C(C)(C)C	2303510793	KJBAUNRFGKNYRQ-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@H](CCC(=O)C2CCCC2)CC1	2303522111	KOYJJQAEYITOFE-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC1=C(C)C[C@@H](CCC[C@@H](N)C(C)(C)C)CC1	2303574948	FGLCQNDVMLKNOK-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
C[C@H](N(C)CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304394451	QUBDWJCVXKRWFH-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CC[C@H](CCCC(=O)C2CCCC2)C1	2304447018	KEGMHRIPHWKQKI-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CCC[C@H](CC)C1	2307838076	MXXDTAKGXWODFB-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1CCC(CC)CC1	2307892840	KCPKTKLMXXZHRK-GYTBAZASSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)C1(C)CCCC1	2307902583	LQYAGVWJZZWMJY-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(CNCC=C(C)C2CC2)CC1	2315261479	SCJBYOLJBNPWDX-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C[C@@](N)(CC1CCC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316880718	YODZZPLOXLAKCH-QSPRXWTASA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1CCC[C@H]2C[C@H]12	2316887229	VVBTWUKPZWAGRD-YQQAZPJKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(=C[C@@H]2CCC(C)(C)C2)[C@@H](CN)C1	2319109739	CXGLITMGBGLRJP-DZGCQCFKSA-N	249.442	4.524	0	10	BJAE	
C[C@@H](O)CCC[C@H](c1ccccc1)C1CCCC1	2319735570	YBAXLBKIXYYJPH-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1C(=O)CC1CCC=CCC1	2320152652	NEVNTNSCTIXGGG-CABCVRRESA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@@H]1C=CCCCC1	2320155881	FOVYWYYVCZOYOA-QLFBSQMISA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)CCCCC2CC2)CC1	2320394753	AOOLQNHINNMVGM-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
Cc1cc(C(=O)CC[C@H]2CCC(C)(C)C2)oc1C	2321624541	HTLSCSDUYQLGPS-ZDUSSCGKSA-N	248.366	4.686	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)C(C)(C)C(C)C)c1	2327681906	NVUVBJVLJKLYOY-UHFFFAOYSA-N	246.394	4.983	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CNCC)c1ccccc1	2328198071	YXNOFUBOTLLDCG-RDJZCZTQSA-N	247.426	4.596	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)C1CC(=C2CCC2)C1	2328274730	MFWURRXGFGMSPU-DYVFJYSZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1c2ccccc2-c2ccccc21	3160130	FGGPKIIPWXUABP-UHFFFAOYSA-N	222.331	4.845	0	10	BJAE	biogenic
Clc1ccc(Cl)c(NC2CCCCC2)c1	19772216	GREPWBGDYIKPNH-UHFFFAOYSA-N	244.165	4.738	0	10	BJAE	
CCN[C@H](c1ccc([C@H](C)CC)cc1)C(C)(C)C	35544109	IDTHLZCUUUEFKK-CZUORRHYSA-N	247.426	4.897	0	10	BJAE	
CC(C)c1ccc(CC(=O)C2CCCCC2)cc1	53765877	DPMGFINTHPNRAX-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
Clc1cccc2nc(C3CCCCC3)oc12	62532294	XCTDAGFMGHNUGX-UHFFFAOYSA-N	235.714	4.529	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CCC(C)CC1	71084870	JWHXAKMCKPRIHA-SLTAFYQDSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC[C@H](NC)C(C)(C)C)C1	80421287	UYFAZYQHUHMVKO-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(NC2C[C@H](C)C[C@@H](C)C2)c1	84462663	PVOBFJRGVJEZEK-CHWSQXEVSA-N	231.383	4.540	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CCC[C@@H]2C)cc1	86672664	DFVQCFGAJIUVBP-HEHGZKQESA-N	231.383	4.801	0	10	BJAE	
CCC[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1	87818740	KMOSODUUIFNUKG-SNVBAGLBSA-N	247.769	4.726	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@]1(C2CC2)CCCCCN1	91875508	OEEITMUJEJTREO-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)C1CCCCC1	104011083	WOPQLEMQXNBPAP-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)(C)C)c1ccccc1	104448948	XCCRGCSXABASSI-GOEBONIOSA-N	247.426	4.800	0	10	BJAE	
C/C=C\[C@H](C)Cc1ccc(CC(C)C)s1	107546589	USSYQFITWYYXNC-FJOGCWAESA-N	222.397	4.701	0	10	BJAE	
CC(C)CCCN[C@H](C)c1ccc(C(C)C)cc1	109921192	WTUOBERWLRESAL-OAHLLOKOSA-N	247.426	4.897	0	10	BJAE	
CCCCC[C@@H](N[C@H]1CC1(C)C)c1ccccc1	109942505	DCVXUIUAGDEKIT-CVEARBPZSA-N	245.410	4.696	0	10	BJAE	
CCCCC[C@H](C[C@@H](C)CCC)NCCC	126093205	DOFAMCYJSGUNTN-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@H]2CCC[C@H](C)C2)c1	132463720	SJSNWBPAYUBBRM-NUTKFTJISA-N	245.410	4.533	0	10	BJAE	
CCCC1CCC([C@@H](O)CC(CC)CC)CC1	148118633	TXAGYTOVXUTSRE-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC(C)(C)[C@H]1CC[C@@H](C)CC1=O	149423830	AEIWDCLGPQCUIQ-OCCSQVGLSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@H]1CCCC[C@H]1CNCC(C)C	155687445	TUKDHPLVJNFMKS-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](CCCc1ccccc1)NCC	163229778	JAPHXXHVPULZDV-QGZVFWFLSA-N	247.426	4.568	0	10	BJAE	
CC1(C)CCC([C@@H](O)CC2CCCCC2)CC1	203529291	JXJGYYSZBXTOON-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](C)c1cc(C)ccc1C	212822327	YHOWOFIYWVTXRW-DOTOQJQBSA-N	247.426	4.575	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H]1CCCC1(C)C	226563788	JHNWUYBUJHNVCF-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1CC[C@@H](CC)C1	227447228	RNBJEEHNFFLUNQ-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
CC1CCC(CN[C@@H]2CCC23CCCCC3)CC1	230170315	ARZPPQQRQZAANY-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC([C@H]2CNc3c(F)cccc32)CC1	232832101	DKCZSWHGBAYGGJ-CYBMUJFWSA-N	247.357	4.551	0	10	BJAE	
CCC(CC)[C@@H]1CNc2ccc(C(C)(C)C)cc21	232863705	RUPVMGLOMRBDGX-HNNXBMFYSA-N	245.410	4.929	0	10	BJAE	
CCC[C@@H](C)[C@@H](CNC(C)(C)C)c1ccccc1	233286471	INHOSTANTUENFM-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC(C)(C)C(C)C)CC1	233914281	ZSIYDJAIDFNJBG-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H]2C[C@@H](C)Nc3ccccc32)C1	235356382	ANTLESJSOMHPCI-NYTXWWLZSA-N	243.394	4.801	0	10	BJAE	
Clc1ccc2c(c1)[C@H](CCC1CCCC1)CN2	236068841	ADBFDBUDUMCMGP-GFCCVEGCSA-N	249.785	4.820	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1CCCC[C@H]1CC	253184846	HUGCIIPRKUXQPI-QLFBSQMISA-N	238.415	4.988	0	10	BJAE	
CCC(CC)c1ccc(C2(N)CCCCC2)cc1	258414876	VWEWMFYNAUMYNT-UHFFFAOYSA-N	245.410	4.708	0	10	BJAE	
CCc1nc(-c2cc(C(C)C)ccc2C)cs1	259144805	DPTYFTBTONRNQM-UHFFFAOYSA-N	245.391	4.804	0	10	BJAE	
CCC[C@H](F)c1ccc(SCC)cc1	260314748	ADCWVZROAAMIGK-LBPRGKRZSA-N	212.333	4.609	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)c1csc(C)c1	300919426	KYSLJRGXQABEOG-FZMZJTMJSA-N	239.428	4.533	0	10	BJAE	
CC(C)C[C@@H](C)CNc1cc(F)ccc1Cl	300954159	QBDWKXVDNPMFIX-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(COC)cc1	302293598	LBAGHEULXZDFGU-AWEZNQCLSA-N	249.398	4.604	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1Nc2ccccc2C[C@@H]1C	302431024	VJRQEUIEFGFSNB-GRDNDAEWSA-N	245.410	4.732	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@H](C)CC(C)C)c1	304185210	ROCHWXUMTKRDPV-GFCCVEGCSA-N	232.367	4.558	0	10	BJAE	
CCc1ccccc1[C@@H](CCCC(C)(C)C)NC	305927946	NXRPCKGNIHWWSR-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H]1CC[C@@](C)(CCCC(C)(C)C)C1	305931908	PAUNEZTXSJFWFV-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C1(C)CCCC1	305980295	RGKRKCNRRZDMSI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc2c(Cl)csc2c1Cl	306599929	SJCDVPYWILERIR-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C1CCC(C)CC1	308014970	FCGNHSXGBQZODE-FJBKBRRZSA-N	240.431	4.636	0	10	BJAE	
CCCc1ccc([C@H](O)[C@H](CC)CC(C)C)cc1	308034197	RHKYBZOYNPIEMA-NVXWUHKLSA-N	248.410	4.745	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)CCC2CCCC2)C1	310271583	SYCFUXRFINHAOB-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CC1CCC(C)CC1	310419573	NTLCDHPRWVWBHE-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
O=C(CCC1CCCCC1)[C@H]1CC2CCC1CC2	310765478	BQEINKOPHUAIIY-GPANFISMSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC[C@]1(CNC(C)C)CCC[C@H](C)C1	317586235	IKUSROFQUDDZBE-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@]1(CNC(C)(C)C)CC[C@@H](CC)C1	318092480	XQNXTWONZHJWMF-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCCc1nc2ccccc2n1[C@@H](C)[C@@H](C)CC	319541546	CHGHRXXMHMVDKQ-STQMWFEESA-N	244.382	4.596	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)c1cc(C)cs1	379234135	UDYYUMQWMHGDOJ-WCQYABFASA-N	239.428	4.533	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C[C@@H]2CCC[C@@H](C)C2)c1	381013618	MSZYCODVAHUYTM-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CC2CCC1CC2	382186051	YIGQLHAERMPLFL-QDIHITRGSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)C1CCCC1	383677251	PSUXQCQOLDKVIJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H](C)c1ccccc1	384988558	UZESUCLXJISWLA-KGLIPLIRSA-N	232.367	4.576	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C1CCCCCCC1	385108782	CNCGSTNLQAPYOA-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCC(/C=C(\CO)C1CCCCC1)(CC)CC	395225153	OASMMYVUQHGUND-NTCAYCPXSA-N	238.415	4.702	0	10	BJAE	
CC[C@@H](Nc1ccccc1Cl)[C@@H]1CC1(C)C	397864099	YTQZCCMEEUQZRZ-CMPLNLGQSA-N	237.774	4.577	0	10	BJAE	
CCN[C@H](CC1=CCCC1)CC1CCCCCC1	401026421	KFUVTCTYJFUVDH-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CC=CCC1)CC(C)(C)C	402113326	BVKBBHKPYPIHFC-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCCC1CC1)NCC	405753024	SIXZHZYZMQWTMO-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](O)CCC(C)(C)C1CC1	405956264	KRSOCYMDFANEIZ-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC(C)(CC[C@@H](O)C1(C)CCCCC1)C1CC1	406053377	FQJOFKUNKJZZEZ-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC(=O)CCCC1(c2ccccc2)CCCC1	686731955	QWLUOMSSXUMQAU-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cccc(C2CCC2)c1	690121670	NAPWJEFAKWXSFZ-DYVFJYSZSA-N	243.394	4.945	0	10	BJAE	
C[C@H]([C@H](O)c1ccc2sccc2c1)C(C)(C)C	691822010	JNIDRHPZSJBUGE-YGRLFVJLSA-N	248.391	4.617	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1N[C@@H]1CCCC2(CC2)C1	695718945	XOUGMOKOHGRVDH-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1cc(C)ccc1C	696661064	UIZYHDNUBURZOS-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CCC(C)(C)CC	696799226	JNXDRJMGXODQFS-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3CCC[C@@H]32)cc(C2CC2)c1	707774806	QGTXJRQSYBDUBF-XOKHGSTOSA-N	241.378	4.555	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)CCC(C)(C)C1CC1	708318831	IYRFJHBKWOJGJM-OCCSQVGLSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(Cl)cc1C	708405346	JLHMWIDSZVZISG-JTQLQIEISA-N	238.758	4.657	0	10	BJAE	
C[C@@H](C[C@@](C)(N)CC1CCCCC1)C(C)(C)C	710720571	PGTNIIMIWODVOO-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)CC(=O)C[C@@H](CC)C(C)(C)C	711175716	GJZXSOQHWJHZFT-CHWSQXEVSA-N	226.404	4.844	0	10	BJAE	
CCNC[C@H](C[C@@H](C)CC)C1CCCCCC1	711290971	AMNZKWJKSPRFKU-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C(C)C)C1(C)CCC1	713210260	JGXHNKQTZCYYMX-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC)C[C@H]1CC(C)(C)C	713246856	XSTSXINASMHZDU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(C)(C)[C@H]1CC[C@H](C)CC1=O	713368978	RMZVYLXGGFUBNQ-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1cc(F)ccc1F	714531998	NTJUWARPGGBNRM-MVIFTORASA-N	224.294	4.815	0	10	BJAE	
C/C=C/C[C@@H](CC)c1ccc(C)c(C)c1	714565517	GJJCQFAGOVGTFQ-HZRUHFOJSA-N	202.341	4.763	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)c1cc(C)co1	716113131	GYDTYCPCDKEKRO-HNNXBMFYSA-N	247.382	4.519	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)c2ccc(C3CC3)s2)C1	716568271	YJYCCSUHPPZZFQ-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
CC(F)(F)CCC[C@@]1(O)CCCCCC1(C)C	718709796	VDXARJHOOODKPT-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNC2CC2)CCC=CCCC1	718995738	FATPFYGJMQEVHC-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cccc(CC(C)C)c1	721701685	IKJUAJIOPTXMAF-MRXNPFEDSA-N	247.426	4.711	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)c1ccccc1	723597064	IEDPDLZUBXOIQG-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
C1=C[C@H](N2CCC[C@@H]2CC2CCCCC2)CCC1	1167251938	OMWYCNXLIMWRKK-DLBZAZTESA-N	247.426	4.530	0	10	BJAE	
CCC1(CNC2CC3(CCCC3)C2)CCCCC1	1180584014	FECFNZUGEHWPBG-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C=C/C=C\CCN(C(C)C)[C@H](C)c1ccccc1	1460174193	HTSAJLBUZLKRFT-MWWKQMNYSA-N	243.394	4.590	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@]1(C)CCCC[C@@H]1C	1462315162	VBPWHTFZBCGIHL-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1CS[C@H](C)C(C)C	1559378456	CIBITMAFCRFAOS-CYBMUJFWSA-N	222.397	4.581	0	10	BJAE	
c1ccc2c(c1)CCC[C@H]2SCC1CCCC1	1640876778	GWLWUECBJVPIAX-MRXNPFEDSA-N	246.419	4.987	0	10	BJAE	
CCC(CC)SC/C=C\c1ccccc1	1652643638	DHAGANMAQZJXKA-FLIBITNWSA-N	220.381	4.622	0	10	BJAE	
CCCC1CCC(CN[C@@]23CCCC[C@H]2C3)CC1	1658429971	ANMRLVKEHXBVGP-SJJHQCBESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(C)=CCCNC(C)C	1905732805	CVZVLPFZFNEQSA-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H]3CC[C@@H]32)c(Cl)c1	1907050192	PGMZTCNOSAOTEN-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C(C)(C)C1CCCC1	1910809146	HVTMNZFGOIOSGB-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C1CCCCCC1	1911829145	ICXCCSKBKOFVFV-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CC1(C=C(CN)C2CCCCC2)CCCCCC1	1911867521	KRJRQMJYGCGYTE-UHFFFAOYSA-N	249.442	4.812	0	10	BJAE	
CCC(=C[C@@H]1CCCC[C@@H]1CC)CNC(C)C	1911883933	JPWVZTNKPCSUJV-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC=CC[C@H](CC)c1c(C)cccc1O	1912089832	SKZHOIHQLIJPSG-ZDUSSCGKSA-N	218.340	4.551	0	10	BJAE	
CN[C@@H](C)CC(C)(C)CCC=Cc1ccccc1	1912123390	OMDARNHJSWTVSK-HNNXBMFYSA-N	245.410	4.504	0	10	BJAE	
CC(C)(C)CCCC1(CN)CC2(CCCC2)C1	1912592174	FJAAUCHZSDBERR-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCC=CCNc1ccc([C@@H](C)CC)cc1	1914676893	VPTFWLDABOJMRI-AWEZNQCLSA-N	231.383	4.968	0	10	BJAE	
C(CCN[C@H]1CCC2(CCCC2)C1)CCC1CC1	1916497763	VZFOZLKITAVRHY-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@@H]1CCCC12CCC2	1921636253	MVDDOFJHUOMVND-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C[C@H]1C=CCCCC1	1925883847	FZSHPDOEQYIIEO-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
Cc1sccc1C(=O)[C@@H](CC(C)C)C(C)C	1936210457	XPUMCQKUVSBZBD-ZDUSSCGKSA-N	238.396	4.558	0	10	BJAE	
Cc1cccc(C)c1-c1nc(C(C)C)cs1	1939022012	UOBMHIPHERJFNB-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
CCC[C@](N)(CC1(C)CCCCC1)C(C)(C)C	1940409136	NSQYBZMMAJTCJV-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC[C@](C)(CCCC1(C)CC1)CNCC(C)C	1940868561	HEZLGKDBLLYFGW-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(=C1CCC(C(C)(C)C)CC1)[C@@H](N)C(C)C	1941160105	UFZCTJHGACHDGH-LOACHALJSA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(CCCC2CCC2)C1	1941461607	HUNYZDYXRPMSTL-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccccc1C1CC1	1941550349	VGCGFLNWUVWTNC-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](C)(N)C(C(C)C)C(C)C	1942652554	ILVUTOGJWXLXKN-ZBFHGGJFSA-N	241.463	4.704	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@@H](C)CCC(C)C	1942653983	WPESMVBWEDLVEA-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(F)CCCCC[C@H]1N	1943926364	KGSYAAJKENBMQA-RRFJBIMHSA-N	243.410	4.593	0	10	BJAE	
C[C@@H]1CC(CC(=O)CCC2(C)CC2)C[C@@H](C)C1	1944205861	WCNMJVOFLDKENX-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@](O)(c1cccc2sccc12)C(C)(C)C	1945963011	VJAUJQGDFXUVMT-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H]1CCCC(C)(C)C1	1947470708	VJPHTJMVGNVZPT-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CCC[C@H]1CC1(C)C	1947516842	WPAJQMWOWIKJDP-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC1(N)C[C@H]2CCCCC[C@@H]2C1	1947856923	IHVJPWVNPZWAEQ-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](NC)[C@@H]1CCC(C)(C)C1	1949552313	QFZKHRLMLACYID-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
N[C@H](CC1=CCCCCCC1)CC1CCCC1	1949867753	CMIHWRBIWSWHIE-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CCC2CCC2)CC1	1950916779	BUOTYYXHFMWIAL-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1[C@@H](NC2CCC3(CCC3)CC2)CCC[C@H]1C	1967790281	ICSKATPXVFEIMZ-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
Clc1cccc(NC[C@@H]2CCCC3(CC3)C2)c1	1968263160	WCZAFKXUHILWDA-GFCCVEGCSA-N	249.785	4.722	0	10	BJAE	
CCCc1ccc(COc2cccc(C)c2)cc1	1968270885	OXFWRCYSYSCZLP-UHFFFAOYSA-N	240.346	4.527	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCCC3(CCC3)C2)C1	1969843495	BQGILORQBFPNOP-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
F[C@H]1CC[C@@H](CNc2ccc(C3CCC3)cc2)C1	1969958166	BSYZUZNWWDLBLY-DOMZBBRYSA-N	247.357	4.504	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCC12CC2)c1ccsc1	1972744527	NCDYXVPNNPIXOX-KGLIPLIRSA-N	249.423	4.512	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1N[C@@H]1CCCCC12CCC2	1972819033	CFLPNOZNYGIQKB-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
c1ccc(C2CCC2)c(NCC2CC3(CC3)C2)c1	1973428753	HBSNEAGHSDXWRU-UHFFFAOYSA-N	241.378	4.556	0	10	BJAE	
CCCSc1ccccc1NC1CCCC1	1975963353	AJTIEOKMDTZWCW-UHFFFAOYSA-N	235.396	4.543	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC(=O)[C@@H]1C	1982803316	UQGCQODLSMVRPG-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1cc(C)c(C)s1	1989973223	LRUKKAPQWPJGBQ-LBPRGKRZSA-N	238.396	4.620	0	10	BJAE	
CCCCC[C@@](O)(CC)C1CCC(C)CC1	1990091694	QAHMKJZABQSBAA-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CC=CCCCNc1cc(Cl)c(F)cc1C	1995047007	CJFLMOZMTZZZOW-UHFFFAOYSA-N	241.737	4.556	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H]1CCCC(C)(C)C1	1995834812	HINMDWZRZFFIBB-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CC(C)(C)C1CC(CC2(O)CCCCCC2)C1	1998257792	IIZYEMHNULIVGB-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CSc1cccc(N[C@H](C)C2CC(C)(C)C2)c1	1998648268	CKGUPQUYJKPCDX-LLVKDONJSA-N	249.423	4.645	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CCC=CCCC1	1999981534	PCWZLOSLNYSHJX-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@@H]1CCCC(C)(C)C1	2000052914	YYEIRQJGCWOWRZ-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C(=O)[C@H]1CCCC(C)(C)C1)C(C)C	2000107509	UILDGCVDSMAIIC-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C1=CCCCC1	2000366562	ATBYVVWKSJHJII-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H]([C@H](C)CC(C)C)C(CC)(CC)CC	2000375237	AEYVCQOCCYXDRR-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@](C)(CCC[C@@H]1CC1(C)C)CNCC	2000517668	GMGZUIZYRWXEAU-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(C)CCC1(O)CCCCCCCC1	2003112309	SSKOHLBXYQAMCL-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@@]1(C)C=CCCC1	2003320023	DUFDDHLWEVYNAS-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H](C)C2CCC2)CC1	2004346190	JWUXMELWPVOTFP-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@@H](CC2(C)CCCCC2)C1	2006626126	CCUUNTWKUSAHMO-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC=CCCCC(=O)c1csc2c1CCCC2	2009569219	MMTFATFVAWFAKQ-UHFFFAOYSA-N	248.391	4.556	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@H](C)CC[C@@H]1NCC	2009611931	PAADIGNUJUEQFX-VTTDZUNHSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H]1C[C@H](NC)CC(C)(C)C1	2012042088	QQJKYGABOBTHGZ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1([C@](C)(N)C2=CCCCCCC2)CCCC1	2014323493	JZEQQAVPZHJPDO-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)C1(C)CCCCCCC1	2015275181	OBCQDDPQUGAXME-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C)[C@H](CC)CCC(C(C)C)C(C)C	2015338711	KYATWEMKHLDAIH-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](CC(F)F)C[C@@](C)(O)CCC=C(C)C	2016142845	BSHTVGBBGBIEIZ-OCCSQVGLSA-N	248.357	4.555	0	10	BJAE	
CC(C)C1(C[C@]2(O)CCCCC2(C)C)CCC1	2017112297	LTKXWRAFGZYIJL-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CC[C@H](CC)CC1	2017652739	KIPLTSDBJOSQHW-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@H](CC)C(C)C)CC1	2017719534	BPVLVSMZGHLZMN-FJBKBRRZSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC[C@@](C)(NCCC2CCCCCC2)C1	2017867294	DPNSWGZRYHUWQH-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@](N)(CC)[C@H]1[C@H]2CCCCC[C@H]21	2018130448	OKOQWZYMNFEOCX-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCC(F)(F)CCC1=O	2018857527	FCVDVJBBKFSFNM-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
CCCCCCN(C)[C@@H]1CCC2(CCCC2)C1	2019290495	JSAVGAIVQRHFQI-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H]1CCCCC[C@@H]1C	2019406186	DIAWAZDIWJBHMK-JYJNAYRXSA-N	239.447	4.712	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCCCCC1(C)C)C1CCC1	2019790535	LQXAYATUBYLQMY-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H](C)C1CCC1	2019858740	NLVSMCBFWDGISA-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H]1[C@H](CCC(C)=C(C)C)CCCC1(C)C	2020360455	GGWXCRZWULRUTN-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@H]1C[C@@H]1C(C)(C)C	2022455009	SAGOGRYXFVOHIY-KNCOVGOOSA-N	240.431	4.636	0	10	BJAE	
CCSc1cccc(NC[C@H]2C[C@@H]2C(C)C)c1	2022482440	CDBYIVVNACIPFI-IUODEOHRSA-N	249.423	4.503	0	10	BJAE	
CCCCC[C@@H](CC)NCCC1CC(CC)C1	2025371666	RGNVJYQBCJESBJ-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CCC1CCCC1	2026147965	VVPBQLOGEDNHCO-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CN(C[C@@H]1CCCC2(CC2)C1)C1CCCCCC1	2026964347	XCQOCAWXZGCESI-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(C)c([C@H](O)CCCC2CCC2)cc1C	2028495420	MRFSROISUSELQA-QGZVFWFLSA-N	246.394	4.616	0	10	BJAE	
CC(C)=CCC[C@H](N)c1ccccc1CC(C)C	2028922485	PXLQNJMBEGWYKT-KRWDZBQOSA-N	245.410	4.631	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)c1ccc(C2CC2)cc1	2029070802	QGYKGJZGSKWEDX-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@]12CCCC[C@@H]1CCC2	2031803736	GTMKZECNWSVOMX-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1CC=CC1)C(C)(C)C1CCCCC1	2032347127	UMFUOMXRGOEVES-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H]1C1(CNC2CC2)CCCCCC1	2033557567	NLVVFQFWRUHBEO-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C1=CCCCCCC1	2037076095	RPAQGKXKNUDDKV-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@@H]2CCC3(CCCC3)C2)C1	2037684261	YPRBWSKQZSUQID-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@H](NCCC2CC3(CCC3)C2)CC1	2038103655	QGFQBPWSLBKLEO-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
O[C@H](CCC1=CCCCC1)[C@H]1CC12CCCCC2	2039006478	QDIDUZTZWLIHDM-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(N[C@@H](C)C23CCC(CC2)C3)cc1F	2039864796	JYUPXHLUKNRQEG-FUJMWEONSA-N	247.357	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@@]23CCCC[C@@H]2CCC3)C1	2040147705	YNFLPWKFXDBSIW-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](N[C@@H]1C=CCCCC1)C1CCC(C)(C)CC1	2040636534	SBISJXYZUVRRTG-GDBMZVCRSA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CCCCC1)C1CC=CC1	2042018199	CGNUTBDUWGUNMD-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@@H]1C=CCCC1	2043188204	RRDWADCJLBEBGW-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC(C)CNCC(=C[C@]1(C)CC=CCC1)C(C)C	2047680527	DEUXNZNQSAHCBZ-QGZVFWFLSA-N	249.442	4.561	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048468568	IOAJQLROJVHXMY-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC[C@@H]2C[C@H]2C2CC2)C1	2049514945	MHUWVXGYYNYBPA-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(NC[C@@H]2CC23CCCC3)CCC1	2049672552	MVZSVBPVFUJGRD-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@@]2(C)C=CCCC2)C1	2049998975	AHGAFGXOQPGTOE-KVULBXGLSA-N	248.410	4.764	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2CC3CCC2CC3)C=CCCC1	2050001212	WBXLHLGUIJAKRW-OCUYMYNFSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H]2CCCC(C)(C)C2)cc1	2050427852	CQNDSAKIBWOODE-GDBMZVCRSA-N	245.410	4.601	0	10	BJAE	
CCCCCc1ccc(NC2CC(CF)C2)cc1	2054564992	RXUXGSVWYNYLKU-UHFFFAOYSA-N	249.373	4.579	0	10	BJAE	
CCC1CC(CNc2ccccc2C2(C)CC2)C1	2056728032	OPSKUNDZIZPPML-UHFFFAOYSA-N	243.394	4.586	0	10	BJAE	
CC[C@](N)(C1CCCCC1)C1CC(C2CCC2)C1	2057495760	OTXIYGIXKTTZCI-PREGVCBESA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@](C)(N)c1ccc(C(C)C)cc1	2059204213	TWJMVPNERZFWGU-RTRPANQVSA-N	245.410	4.730	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]21	2059224782	FSLMKHXQOCCWNK-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H]1CCCCC[C@@H]1CNC1CC1	2059250356	PUGZSPWPXSBFJJ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
c1cc(C2CC2)ccc1NCC[C@@]12CCC[C@@H]1C2	2061573128	VUQVMBOCVZWXBS-NVXWUHKLSA-N	241.378	4.556	0	10	BJAE	
CCc1cccc(CC)c1NCCC[C@@H]1C[C@@H]1C	2062654124	YABPTDCDJOFZPF-XJKSGUPXSA-N	245.410	4.660	0	10	BJAE	
CC1(C)CC12CC([C@H](N)CCCCCC1CC1)C2	2063994558	UQPVYUIURNFHJD-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]1C[C@H](C2(C)CCCC2)C12CCCCC2	2067498003	HEKOKFPZVGVINV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@](C)(N)C2(C)CCCC2)CC1	2067507026	YDOIGDAEFMHJLP-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CCCC1([C@H](C[C@H]2CC23CCC3)NCC)CCC1	2069181274	DYJGJNULZZTORJ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CCC2)C1CCCCC1	2069201339	LRSGBUXMYOUJBO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)c2cccc(C)c2C)CCC1	2069267503	BYLINIQVRRYPSJ-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
CC[C@@H](CNc1ccccc1C1(C)CC1)C(C)C	2070282937	SHHGJQPQKSQBBG-AWEZNQCLSA-N	245.410	4.832	0	10	BJAE	
CC(C)=CCC[C@H](C)NC1C[C@H]2CCC[C@H](C1)C2	2070402010	BFLRGKIJDLALTO-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
C[C@@H](N[C@H](C)C1CCC(C)(C)CC1)C1CC=CC1	2070809828	DEFFHQILMPVCFV-ZIAGYGMSSA-N	249.442	4.536	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(C[C@@]23CCC[C@@H]2C3)C1	2070966920	LEXHMXMZGGHOLL-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@H]1CC=CCC1)C1(C(C)(C)C)CCC1	2071931521	AZUGFIJSIQMKQC-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1(C(C)(C)C)CCC1)[C@@H]1CC=CCC1	2071944997	CCXGRSCHRSXIAH-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C[C@@H]2CC[C@H]3CCCC[C@H]3N2)CCC1	2071949868	LTRBGYPTTMNCFP-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)c2ccccc2)CC1	2072665710	UGCCSCDFNGMWOT-ZOBUZTSGSA-N	246.394	4.717	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)C[C@H]2CC[C@H](C)CC2)C1	2072872802	GVZXMLGFFBAPCY-XOUADPBQSA-N	248.410	4.764	0	10	BJAE	
CCCC1([C@H](C[C@@]23CCCC[C@@H]2C3)NC)CCC1	2074018787	AYLJDKZHYJIIGX-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@H]2CCC3(CC3)C2)CC1	2074647296	VZNKKLFATJINRV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC=C(CC)[C@@](C)(O)c1ccc(C(C)(C)C)cc1	2077192112	KDNXONCYJWKWET-QGZVFWFLSA-N	246.394	4.548	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H]1C[C@@H]1C1CCCCC1	2079426369	AMMVAQVPKKBADO-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1C[C@H]1C1CCCC1	2079432479	SUHJCMCDWHMIQD-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC1(CC(=O)[C@H]2C[C@H]2C2CCCCC2)CCCC1	2079491094	GWYNOXXPDAZLKG-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@H]1C[C@H]1C1CCCCCC1	2079526418	FJLNEMRRPAAQFL-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CNc1ccccc1C1CCC1	2079627567	VJGGJMZDMPDJQQ-GDBMZVCRSA-N	243.394	4.658	0	10	BJAE	
CCCC1(NC[C@H]2C[C@H]2C2CCCC2)CCCC1	2079651345	PTUQHZXPFQKIST-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC1(N)CC(C[C@@H]2C[C@H]2C2CCCCCC2)C1	2079710839	NOHYHSMYYDKQSN-YTWPKEEVSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1C[C@@H]1C1CCCCC1)C1CC1	2079859143	AHQBTCMCEBMYSO-SRCQZFHVSA-N	248.410	4.598	0	10	BJAE	
CCN(C[C@@H]1C[C@@H]1C(C)(C)C)c1ccccc1C	2080083813	SGLZFECHOZHLCO-GJZGRUSLSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)C1(C)CCC(C)CC1	2080234712	TUYARFIXDVLQIK-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H](C)CCC(C)C)c1	2082952675	FRKHJWCCYGLGGN-CYBMUJFWSA-N	246.394	4.867	0	10	BJAE	
CN[C@H](C[C@@H]1CCCC(C)(C)C1)C1(C)CC=CC1	2082980042	RVOOTAKNFJGNPV-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C2CCC2)C12CCCCCC2	2083324519	FVUBORZTMFQJSC-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1ccn([C@@H]2CCC[C@H](C(C)(C)C)C2)c1	2212101184	RPXVKVAQHDCIQS-UONOGXRCSA-N	219.372	4.574	0	10	BJAE	
C[C@]1(O)CCCC[C@H]1CCCCCCC1CC1	2213576168	NJRAYESRLVCDQT-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CC(C)C1(NCCCCCCC2CC2)CCC1	2213580485	MOKQTKFCFCZJMI-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CN(C)CCCCCCC1CC1	2213594833	DVXOVECBDIIQDQ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
Cc1csc(C(=O)C2(C)CC3(CCC3)C2)c1C	2215385156	NCOCMPOUUYPLPW-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CC[C@H](C)C[C@@H](N)CCCCCCCC1CC1	2216875967	ARLMPCQCOINIMZ-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCN[C@@H](CCCCCCCC1CC1)C1CC1	2216878279	UJMDDQIHTLFNFD-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC1(C(=O)C/C=C/c2ccccc2)CCCC1	2219085647	OGIHJSBXSDMRPM-DHZHZOJOSA-N	242.362	4.629	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)c1ccccc1C1CCC1	2220717679	WZTVJFUXGBKSOC-OCCSQVGLSA-N	242.362	4.573	0	10	BJAE	
CC(C)c1cc(N[C@@H]2CCC[C@@H](C)CC2)ccn1	2220884712	FJSCTFJGGVWTRN-ZIAGYGMSSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C[C@@H]2CCC[C@@H]3C[C@H]23)C1	2221084077	PWDOHCXARXBRRF-GZBFAFLISA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)CC2(C)CCCCC2)CC1	2221636488	VTLQJPLENRCGNM-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H](NC[C@@]1(C)CC=C(C)CC1)C1CCC1	2221642328	DNNCDDFBQFEDNU-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1	2221642995	LEADDGCKCSBHBK-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
C[C@](N)(CCCCCCCC1CC1)C1CC=CC1	2223129455	CLBGLXKCLNKXOR-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)CCC[C@]1(CNC2CCC2)C=CCC1	2223550570	MWUZALDDHFLHIU-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CC1(CNC2CCC2)CCC=CCC1	2223591982	AKRORSNWKPRABW-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)C(C)(C)C	2244844667	DIHUGLMWJTWOHF-UONOGXRCSA-N	227.436	4.602	0	10	BJAE	
CC(C)C[C@H](N)CCC[C@@H]1CCCCC12CC2	2246618896	ZAKBBUUFTDTZSV-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC[C@@H]1CCC[C@H](C)C1	2246726294	LCONKZZJMNOYDG-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNC(C)(C)CC(C)(C)C	2247119958	BOZACFJNDRJRSX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@](C)(O)C1(C)CCCC1	2247129766	QJYVLWSXOFQILA-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@](C)(N)C1CCCCC1	2247162892	IRWWONZJSLAABQ-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCCC[C@H]1C[C@H]1C	2247166998	RGKAUZRFICPNDF-KBMXLJTQSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CC[C@H]1CCCC12CC2	2247618487	FOOVDMBATZVYCA-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
Cc1cc([C@H](N)[C@H](C)C(C)C)cc2ccsc12	2248565143	NQLXPXSLINQZDK-BXUZGUMPSA-N	247.407	4.502	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CC1)[C@@H](CC)CCC	2250364121	DBRHLWHKMPVHLC-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)CC1CC2(CC(C)C2)C1	2250461855	XTHVOIBCWVEQMD-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1(N)CC(CC[C@H](C)CCCC(C)C)C1	2250469715	RWEKBZDDWRRAGA-QQFBHYJXSA-N	239.447	4.747	0	10	BJAE	
CC(=CC[C@H](C)CCCC(C)C)[C@H](N)C(C)C	2250478464	JIZGWRQGAKYXGB-GDBMZVCRSA-N	239.447	4.769	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C1CC(CC(C)(C)C)C1	2251536115	QUDCWORYUHKLCR-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251710636	CROWPQQCNOONJU-CHWSQXEVSA-N	240.431	4.636	0	10	BJAE	
CC1(C(=O)CC[C@@H]2CCCCC23CC3)CCCC1	2253788298	BKSUWXNVDYGEMN-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@H]1CCCCC12CC2	2253826542	YFVKYVSUZROQES-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@]1(CN)CC1CC2(CCCC2)C1	2254052261	ATFMIECVMXABDO-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C1(C2CC2)CCCC1	2254505819	NXXDDWHSPAVAMF-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@@H]1CCCC12CC2	2255247827	SHPQEHNVJPCECS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(CNC(C(C)(C)C)C(C)(C)C)cc1	2255425077	JHNINBAQAKHOSI-UHFFFAOYSA-N	247.426	4.545	0	10	BJAE	
CCC[C@H](CC)C(=O)Cc1ccc(C2CC2)cc1	2259440638	AGQXDSXONIGOFX-AWEZNQCLSA-N	244.378	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@]23CCCC[C@@H]2CC3)C1	2260527040	ITKXBWCDTHSWKZ-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@]12CCCC[C@@H]1CC2)C1CCC1	2260580665	BSTIQUMSDCSNBT-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@@]12CCC[C@@H]1CC2	2260599057	DCIOGMALVGISEQ-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1CC(C)(C)CCC1(C)C)C1CC=CC1	2261397111	FEWISWGDWZPDSF-DZGCQCFKSA-N	249.442	4.536	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1ccc(C)c(C)c1	2300678725	MYJPKFKRNMZJSM-MRXNPFEDSA-N	234.383	4.553	0	10	BJAE	
CCC(CC)CCC(=O)c1ccc(C)c(F)c1	2300703069	AZCRXLQWTPCGOA-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CC(=CC[C@H](O)[C@]1(C)C[C@H]1C)CCCC(C)C	2300863499	PQYFFJIVWBXADS-OWCLPIDISA-N	238.415	4.556	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@]1(C)CC1(C)C	2300869650	LFKCUBJCUHCIRE-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@@H](C)C1)CCCC(C)C	2300889429	VWZGEGALBXLCCY-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CC[C@@H](N)[C@@H](CC2CCCCCC2)CC1	2301245223	UKHBYIBVXCRLBK-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCCC(=O)CCC[C@H]1C[C@H]2C=C[C@H]1CCC2	2301368952	SQRJHOJTVLJNKJ-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)C[C@H](C)S[C@H]3C	2301730527	RTGAEMIXPVJMRY-QWRGUYRKSA-N	245.391	4.524	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](O)C1(C)CCCCCC1	2301829542	QKTDIBDTDXSRRS-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CCC1(CNc2cc(F)ccc2C(C)C)CC1	2301914689	HEVWMABSICXWST-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CCC1=CCCCC1)NC	2301942711	RZJXLMNDHMWMLL-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](O)CCCCC1CC1	2302578279	YDIYNHVYBJNPIO-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)CCC2CCCC2)C1	2302675863	PJQCZYABSWNYND-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CCCC[C@@H]2C[C@H]12	2302991950	RXJINJVEHFTCRS-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC[C@@H]1C[C@H]1CC)NCC	2303610478	FMYDUVBDNUMSGM-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(C[C@H](CC)CCC)CC1(C)C	2307747893	UHSOZXDAKFTIIY-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](O)CC1CCCCC1	2307824731	VPLZKOSTDFHCFK-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)CC1	2311021417	OOLWSRMCBJLWRX-ABPIDSFRSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(C[C@@]23CCCC[C@@H]2C3)C1	2311149525	NMNPAIWXRNNZIM-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@@]12CCCC[C@H]1C2	2311164656	ONSQSRQSSWICBN-MPTYRVRUSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)C[C@@]23CCC[C@@H]2CC3)C1	2313349029	QTFXTYPEOIUNPU-BIVLZKPYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]([C@@H]1C=CCCC1)[C@H](C)CC1CCC1	2313662149	QBIJNBJGTWBZMS-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1cc(F)ccc1C	2316504208	USHVZDFCTBSTBS-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC(=CC[C@@H](N)[C@H]1C[C@H]2C[C@@H]1C2)CCCC(C)C	2316558205	WMAIJJAZUBZRKO-VVLHAWIVSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316739247	PKMKIBLXSJDZOI-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
C[C@H](c1ccccc1)[C@@H](O)CC1CCCCCC1	2316866509	XHNRXSKWPYTDFG-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
C1CCCC(C[C@H](CNC2CCC2)C2CC2)CC1	2316919080	BURWJHLCPFQMPR-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC)c1cccc(C[C@H](C)CC)c1	2317099632	NZNAKZUDOMTYSL-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCCCc1ccc([C@@](C)(O)[C@@H](C)C(C)C)cc1	2317903870	IZGKHMLFYKYDFD-YOEHRIQHSA-N	248.410	4.529	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)C1CC(=C2CC2)C1	2318581548	XSYLFBGHBIINTN-QGZVFWFLSA-N	246.394	4.518	0	10	BJAE	
CC[C@H]1CCCCN(CCCC2=CCCCC2)C1	2318592920	NWFOKZDEYLXPCX-INIZCTEOSA-N	249.442	4.779	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CC1CCC2(CC1)CC2	2318938523	KVOQDIGJDNQTKF-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H]2CC3CC2C3)cc1	2318960717	OWARJXATFBDPTK-ADNDVJRGSA-N	243.394	4.658	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H]2CCCC3(CCC3)C2)CC1	2320232137	KOYSOHJLGRUUST-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCC23CCCC3)CC1	2320336016	DXZQJOGPKWKNPL-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1C[C@@H]1C	2320397658	JVSHGAKTBKSHFX-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)C(C)(C)C1CC1	2320412736	PJHZIPGIABTXGU-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
N[C@@](CCCC1=CCCCC1)(CC1CC1)C1CC1	2320625719	AWZIBWIHWGKPSX-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC=C[C@@H](NCCC)c1cccc(C2CCC2)c1	2320652741	YDSBCXAAYXHMFC-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCCC1([C@H](N)c2cc(C)ccc2C(C)C)CC1	2327660049	LVKMTDPTBGJFHG-MRXNPFEDSA-N	245.410	4.699	0	10	BJAE	
Cc1ccc(C(C)C)c(C=CCCNC(C)C)c1	2327789080	IAHPSIFYEWZTAV-UHFFFAOYSA-N	245.410	4.520	0	10	BJAE	
CCCCCC[C@H](C)NC1CCCCCC1	20306090	DEWDRYANZSFQIY-AWEZNQCLSA-N	225.420	4.658	0	10	BJAE	
Cc1ccc(N[C@H](C)c2ccc(C)o2)c(Cl)c1	20471237	AMGFLLKEAXYBCQ-LLVKDONJSA-N	249.741	4.723	0	10	BJAE	
CCCCCN[C@H](C)c1ccc2ccccc2c1	21044911	YYSCMMNKBOPJBN-CQSZACIVSA-N	241.378	4.681	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1ccc(C(C)(C)C)cc1	35493522	INNZWPAPOWPJJG-XJKSGUPXSA-N	247.426	4.681	0	10	BJAE	
Clc1cccc(N[C@H]2CCC[C@H](C3CC3)C2)c1	81623923	OKGAQBDDXLIRNR-JSGCOSHPSA-N	249.785	4.721	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)CC(C)(C)C	82674683	BMMJSJKNUQHJTB-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCC1(C)C	86856710	ZGLFOZZIZIOLBF-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C1CCCCCCC1	87690125	BBKRCIJYLQPYJS-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](N)c1cc2cc(C(C)(C)CC)ccc2o1	88074287	BXZOOFYRKWEMBA-CYBMUJFWSA-N	245.366	4.530	0	10	BJAE	
CCCN[C@H](CC)[C@@H](CC(C)C)c1ccccc1	92596165	FFACYZMPGMNIAI-DLBZAZTESA-N	247.426	4.595	0	10	BJAE	
CCC(=O)CC[C@@H](CC)c1cccc(Cl)c1	107498372	TVCYRJHYVAJJEU-LLVKDONJSA-N	238.758	4.593	0	10	BJAE	
CCc1ccc(NCCC2CCCCC2)cc1	107795549	DSYAFYDSXJUPFD-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)c1ccc(C)cc1	109719850	KIDTUOLUEFPVSU-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CC(C)NCC1(CC2CCCC2)CCCCC1	110200472	AGVLPKCPXCIJPX-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Sc1ccc(N)cc1C	111744544	IPRYBYYSSATOMU-DOMZBBRYSA-N	249.423	4.638	0	10	BJAE	
CCC1CCC(N)([C@H]2CCCC[C@H]2CC)CC1	111745657	DUVUPIZZYQQWGZ-FYRZTWFESA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c([C@H](C)N[C@@H](C)C(C)(C)C)c(C)c1	122607017	UXLLFXBLZXGBPU-GJZGRUSLSA-N	247.426	4.697	0	10	BJAE	
CCCCC[C@H]1CCCCC[C@@H]1CNCCC	130788912	YMEMEPVYCMSNHT-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CCCCC[C@](C)(O)c1ccc(C(C)C)cc1	132811746	NKQSZPOCTLTHES-INIZCTEOSA-N	234.383	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCCC[C@@H]1CNC	155534462	XCYRINCGSFUBGT-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@@H]1C[C@@H](C)CC	155805515	WIVKKTNSUVEAPL-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC[C@@H](CNC(C)(C)C)C(C)(C)C	162405748	VQEDWMKTHUFBCF-ZDUSSCGKSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1ccc(C)cc1C	165791870	GAAOELHPYSNKLB-HOCLYGCPSA-N	244.378	4.703	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)CC1CCCCC1	203437346	GROMBNGPLRJVBA-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](CCC(C)(C)C)C1	217705549	DFIWHHKWAZVIOS-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)c1cccc(Cl)c1C	220342878	FGLYMYVEBSGANV-AWEZNQCLSA-N	239.790	4.619	0	10	BJAE	
CCCC[C@H](CCC)c1ccncc1Cl	222808534	NNFVEUNGBUNLAS-NSHDSACASA-N	225.763	4.809	0	10	BJAE	
CCCC[C@H](CCC)NCC1CCCCCC1	225974923	BCBKWPMDHWQINO-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CCCCC2(C)C)cc1	226525357	QTBQFNSBCKTZMY-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H]1CCCCC1(C)C	226804917	AWNZWDFFWXKRAL-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)C1=CCCCCCC1	226906563	AQIQJLUTLKHMJD-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H](NCCC1=CCCC1)c1ccccc1	228578850	CXDMYUCWFHCPEE-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@H](CC)c1ccccc1	229743507	NSAMIWBBCLZEHJ-SJORKVTESA-N	245.410	4.515	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC23CCCCC3)c1	230162075	YSKZIUHOHVVHND-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
CCCCCC[C@H](NCC)c1c(C)cccc1C	232952853	KEZIJAXYQXURNP-INIZCTEOSA-N	247.426	4.924	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H]1CNc2c(F)cccc21	235083474	PRUWOBCEBYNCEH-SMDDNHRTSA-N	247.357	4.551	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCCC[C@H]1CC	251588399	CPCXZMPUZSOOCK-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@H]1C(C)(C)C)C(C)(C)C	252903342	OIZOEIMASGIBTL-MJBXVCDLSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@](CC)(CO)CCCC(C)(C)C	300797038	DIBLUMNQMKYQCC-HNNXBMFYSA-N	228.420	4.782	0	10	BJAE	
CC(C)C[C@H](C)[C@H](CNC(C)(C)C)C(C)(C)C	302558772	LVSKGVVORUHINE-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
NC[C@@H]1CCCCC[C@@H]1CCC1CCCCC1	305937100	KWEVRQNOGKXUOX-CVEARBPZSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCC1CCCCC1)NC	305952422	DBLNZTWWNLNCMM-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](N[C@H]1/C=C/CCCCC1)C1CCCCCC1	306000150	NIYRJAGWDIOLST-IQUZECRKSA-N	249.442	4.824	0	10	BJAE	
CCc1cc(NC[C@H]2CCC[C@H](C)C2)ccc1C	306003931	LGLGKVQKVKMMNF-ZFWWWQNUSA-N	245.410	4.796	0	10	BJAE	
CSc1ccc2scc(Cl)c2c1Cl	306861942	HOBBVFSHRGFQNG-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCc1ccc2nc([C@@H](CC)CC(C)C)[nH]c2c1	308091158	RDJBDZDTPMHODZ-ZDUSSCGKSA-N	244.382	4.665	0	10	BJAE	
CC(C)CNCC(C)(C)CCC1CCCCC1	310061260	RIHPOKXMTGCAHY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1CCC1(C)C	310066507	BRTANNUYQZEGKM-AWEZNQCLSA-N	231.383	4.585	0	10	BJAE	
C[C@H](CCC(C)(C)C)Nc1ccc(F)cc1F	310286112	GNCKBAQAZMLBQT-SNVBAGLBSA-N	241.325	4.592	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CCC[C@@H](C)C1	310511002	LNDZFAWVUUGSOA-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC(C)C[C@H](C)COc1cccc2ccccc12	310578334	KKBXTFFWAQMYKE-AWEZNQCLSA-N	242.362	4.901	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1ccc(C2CCC2)cc1	310614554	FIJIDDFRJUEHGS-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CN[C@H](CC1(C)CCC1)c1ccc(C(C)C)cc1	310969734	PFEACHSBLBZNGP-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
C1CCCC(CN[C@@H]2CC3CCC2CC3)CCC1	311234435	VEMLOLZJXSDEGW-BDVYOWHSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]([C@@H](C)[C@@H](C)CC)C1(CC)CCCC1	319943363	BQOIPZJTGXNEMV-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](CCC1CCCCC1)NC	320051978	LNMJALITXUAPMW-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)c1cccc2ccsc12	320170153	YVORTPXSRNAAGU-MJVIPROJSA-N	247.407	4.583	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2CC3CCC2CC3)cc1	382267454	YLVCFQPPHCRKLL-VXTDNTOSSA-N	243.394	4.622	0	10	BJAE	
Cc1cc([C@@H](O)CCCCCC(C)C)c(C)o1	383080198	AAOPPTZYFIMYGX-HNNXBMFYSA-N	238.371	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCCCCC(C)C)C1	383290415	QUTCFPJBSIAZHP-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(C)CNC[C@@H](C)CCCC1=CCCCC1	384851910	LTKIBYCUDWGSMP-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC[C@@H](O)c2ccccc2)C1	385173892	HOXKAWCTHIHMBG-HLLBOEOZSA-N	246.394	4.717	0	10	BJAE	
Cc1cc(C)cc([C@H](O)[C@@H](C)C2CCCCC2)c1	386846685	SEUGLTDEJBMABF-WMLDXEAASA-N	246.394	4.553	0	10	BJAE	
CC[C@H](Nc1ccc2[nH]ccc2c1)C1CCCC1	387599940	VQJBFSYUCGWJPD-HNNXBMFYSA-N	242.366	4.549	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CC[C@H](C)C[C@@H]1C	391222143	ZPCCRMGHNKDPGN-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)[C@@H](C)C1CC1	395055909	DQGUMVMASJHPDD-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](C)NCCCC1CCCCC1	395246185	XWWFWTSKJBLYFL-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CSc1cc2ccsc2c(F)c1C(F)F	396245548	OHGOUJCYCHNGEV-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC1CCC1)NCCC	398647937	AIYMETGXSHSLKK-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H]1C[C@@H](C)CC[C@@H]1C(C)(C)CC1=CCCC1	400384978	JPVBAAYFKVVWFP-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
Cc1c(C)c(C)c(C(=O)CC2(C)CC2)c(C)c1C	401316092	DGBMPPDDNFQHOI-UHFFFAOYSA-N	244.378	4.602	0	10	BJAE	
N[C@H](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCCCCC1	403808220	HGYKPUOUFDYNTJ-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C[C@@H](CC)CC(F)F)NC(C)C	688848358	AEFQZWKPWMRJIL-OLZOCXBDSA-N	249.389	4.615	0	10	BJAE	
C(=C/c1ccccc1)\CNc1ccc(C2CC2)cc1	690098415	CIXYSJDMKKKGGQ-QPJJXVBHSA-N	249.357	4.689	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC1CCC(C)CC1	691178887	YQTBSFOIYVUQMC-GYTBAZASSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@@](C)(O)c1ccc2sccc2c1	691819451	AYHUXDOJWWMXNA-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CCN[C@H](CCC(C)C)CCC(C)(C)CC	696642909	BPUBZTAAIKMTRE-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CCNCC[C@H]1CCC[C@H](C)C1	696783489	RPLVSPMDPYEHIU-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCC[C@@]1(CNC2CC2)CCC[C@H](C)C1	698053920	JJVCSPYPKJCYCZ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC([C@H](NC)C(C)(C)CC)CC1	701098427	BVLMJVWVNXUNFE-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCNc1c(F)cccc1Cl	703990559	IOLLUOHOTKXYBM-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
Cc1ccc2c(ccn2[C@H]2CCCC[C@H]2C)c1	704953998	RBHJMCHZGWPFFX-HIFRSBDPSA-N	227.351	4.701	0	10	BJAE	
CCCOc1cccc(NCCCCC(C)C)c1	707409997	MCCCKJNZYSKRJX-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CCC(CC)C[C@@](C)(N)CC1CCCCC1	707695559	MGCXKMQWWLDGJG-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
C1CCCC(CN[C@@H]2CC[C@H]3CCC[C@H]32)CCC1	707841751	GYPCBGXPEHXNSG-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)[C@@]23CCCC[C@H]2C3)c1	709108238	FCXALNPXVGHGGZ-VYDXJSESSA-N	243.394	4.684	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H](C)CC(C)(C)C)s1	709254601	VCKRGUNICPHWOM-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
Cc1cc(S[C@H]2CCC[C@H](C)C2)c(C)cc1N	710684626	AFPPAYUZUOVMIK-GWCFXTLKSA-N	249.423	4.556	0	10	BJAE	
Cc1cc(N[C@H](C)[C@@H]2CC3CCC2CC3)cs1	710712363	ZWIJDVXTTRQWDK-LPXQKFACSA-N	249.423	4.683	0	10	BJAE	
CC[C@@](C)(CNCC(C)C)C[C@@H](C)C(C)(C)C	711185270	VLPVPRPEPGOIJO-GDBMZVCRSA-N	241.463	4.721	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C[C@H](CC)C(C)(C)C	711185431	SGAWNZDTZQQHMS-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C(C)(C)C(C)(C)C	711315404	OSRWVCOKRSZRGI-GFCCVEGCSA-N	228.420	4.636	0	10	BJAE	
CC1CCC(C[C@@H]2CC[C@H]3CCCC[C@@H]3N2)CC1	712299851	OYFAHFBDIDIUNI-JWRYVHENSA-N	249.442	4.514	0	10	BJAE	
C=C/C=C/CCCc1ccc(F)cc1Cl	713745356	MAOWPKIRPYPUOO-ONEGZZNKSA-N	224.706	4.544	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CCC(C)=C(C)C	718507073	NCKXINKXUQKVBD-JKSUJKDBSA-N	239.447	4.913	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CC[C@H]2C[C@@H]2C1	718519640	GERUKZZVDHKPKJ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC)[C@@H](CC)CC1CCCCC1	720428638	ZHEBRQGVCFSCET-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1CC1(C)C	722896409	JUUWEJNTSAVSBX-AWEZNQCLSA-N	232.367	4.543	0	10	BJAE	
C[C@@H](CN1CCC[C@H]1C(C)(C)C)CC(C)(C)C	1559575694	KELYTYHFSJFAPV-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CC[C@]1(C)CCCN(C[C@H](C)CC(C)(C)C)C1	1641870088	IXVSZECVHPZWHC-GDBMZVCRSA-N	239.447	4.571	0	10	BJAE	
C[C@@H](NCC12CCC(CC1)C2)C1CCCCCC1	1654102589	KKBFAOKIHQHRHR-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CCC(=CC1CCCCCCC1)CNC(C)C	1879302750	SZJJNXSHALPUSC-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](CC=C(C)CCCC(C)C)[C@@H](C)N	1900900259	JSQZXNAAWXHNGN-HUUCEWRRSA-N	225.420	4.523	0	10	BJAE	
CCCCCCc1cc2cccc(C)c2o1	1901882685	JQLQQMGEHSXRPF-UHFFFAOYSA-N	216.324	4.864	0	10	BJAE	
C=CC=CCCC[C@H](CC)CC(F)(F)F	1911777440	BAAGNMMVVVHMAQ-NSHDSACASA-N	220.278	4.878	0	10	BJAE	
C=CC=CCCCC[C@@H](NCCC)C(C)(C)C	1911913955	BSTDGGADRNCWPC-OAHLLOKOSA-N	237.431	4.703	0	10	BJAE	
CC(=CCCNC(C)C)C[C@H](C)CC(C)(C)C	1912070061	MVDVHJXLACEDQX-HNNXBMFYSA-N	239.447	4.783	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C1CC2(CCCCC2)C1	1912613355	GFTVENFKQNMUQN-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@](N)(CCCC(C)(C)C)c1ccccc1	1920435058	HTRIZFSJGBJFPR-KRWDZBQOSA-N	247.426	4.713	0	10	BJAE	
CCCc1ccc([C@](C)(N)C[C@@H](C)CCC)cc1	1920481615	KJBDYDOFGSYDMH-WMLDXEAASA-N	247.426	4.639	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC=CCC1)C1CC(CC)C1	1921295495	DECZFBZHXASWPL-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@H]1CCCC12CCC2	1921595209	MLGPHBGTEMRVSC-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
NC[C@@H]1CCC2(CCC2)[C@@H]1CCCCCC1CC1	1924819057	SRQQXQZQBXPRKG-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@H]1C=CCCCC1	1925794147	MRCTXRPYORGHEN-OAHLLOKOSA-N	239.362	4.696	0	10	BJAE	
CC(C)CCCCC[C@H](O)CCC1(C)CC1	1935871711	IFMIFWNKCPILEM-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@H](C)CCC(C)C	1937163052	JGMRRZLTMUSLFE-UKRRQHHQSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCC(C)(C)C1	1938005154	DAOQTJPUPFBXHT-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCc1cscc1C(=O)C[C@@H](C)CC(C)C	1938822087	MIICDABEAVPRRE-NSHDSACASA-N	238.396	4.566	0	10	BJAE	
CCCCCC[C@@H](N)c1cccc(C2CC2)c1	1941526043	FEJLUTKYJIYFMK-MRXNPFEDSA-N	231.383	4.534	0	10	BJAE	
CCCCCCC1(CNC(C)C)CC(C)(C)C1	1941987636	LZRKDWWDJXBAOT-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@@H](C)C1(N)CCC(C(C)C)CC1	1942655416	ISYZZDRHNCSNJD-QQFBHYJXSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNCC)CCCC1(C)C	1944475026	HGHXSQZSCWPEIP-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC(C2(O)CCCCCCCCC2)C1	1948153690	SBAJCGWNLGXUGN-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CCC(C)(C)C(F)(F)CC)NC	1948436073	RIFJCJXNMBXFIY-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](N)CC2=CCCC2)s1	1949035616	VRJUZGGKPJDBOR-LBPRGKRZSA-N	249.423	4.546	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@](C)(N)CC1CCCC1	1949055045	QFXORDHCYHBBLE-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@@H](C)C(C)(C)C)CC1	1950925174	QYCWVEGZPDLOOT-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCC[C@@H](C)CC2)C1	1965989673	YYOJUNZJCPIOQJ-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CCCC[C@@H]3C2)C1	1966045849	LAXDDIDGDHENBH-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCC(C)(C)C1CC1	1967698460	CKVCQJAIGMBFNF-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
C1CCCC(N[C@H]2CCCCC23CCC3)CCC1	1967797515	OXDYYIFKRTYJIP-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC23CCC3)c(C)c1	1968738605	BWWJSJAKZURXCN-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
Cc1cccc(NC[C@@H]2CCC3(CC3)C2)c1Cl	1969847120	UQDXAICEKXSPFN-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CC1(C)CCCN([C@@H]2CCC3(CCCC3)C2)CC1	1970616624	CVWRBUFUJRCMSH-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCC1(CC)CC(Nc2cccc(C3CC3)c2)C1	1972461420	RPXKRRNJDATFGT-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CC[C@@H](NCCC1CC2(CCC2)C1)C1CCCC1	1973744422	NZROZSRCCADFTF-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C(C)(C)CC)CC1	1976340049	ABIVPIJLVMWTMP-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(N[C@H](C)[C@@H]2CCC[C@H](C)C2)cs1	1980276896	NLICIOQOQUQCCW-CYZMBNFOSA-N	237.412	4.683	0	10	BJAE	
Cc1cc(Cl)nc(Sc2ccccc2C)c1	1980320466	HGDWZAMTQXRRCA-UHFFFAOYSA-N	249.766	4.503	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)CCC=C(C)C	1988794369	ISJGRARXBCXBKA-ZNMIVQPWSA-N	225.420	4.536	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1C[C@@H]1CCC	1993001147	ZYMZTCQBSHBYOH-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
Cc1c[nH]c(-c2sccc2C2CC2)cc1=S	1993669380	SIRCWWICINUXKT-UHFFFAOYSA-N	247.388	4.659	0	10	BJAE	
C[C@H]1CCC[C@H]1Nc1ccccc1SC1CC1	1996551047	ZIQADHSHTBYGIF-WCQYABFASA-N	247.407	4.542	0	10	BJAE	
CCC(CC)C[C@@H](N)[C@H]1CCC[C@@H](CC)CC1	1997109115	NESOYEQRZZNUCO-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC[C@]1(C)CC=CCC1	1997587338	BVHHJGVGKQGYQY-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1CC2CCC1CC2	2000194284	ZNKCBWUGPMXQMC-NRXISQOPSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@@H]1CCCC[C@@H]1CC	2000318313	CMAYKODANKJXDL-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNCC)C[C@@H](C)C1CCC1	2000503992	CVNRKZQHXGWMLT-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@](C)(O)C1CCC(C(C)C)CC1	2002925307	NFTBFZDPJISHLW-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCN[C@H](C)[C@@H]1CCC[C@H](C)C1	2003019859	XXUKZGPASCIXRN-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@@H]1NC1CCCCCCCC1	2003099226	KGGQDEIUXVRGOJ-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H](CCC)C(C)C	2004231454	PYDDNULWSBDXPG-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCC1(C)CCC(N)(CC[C@@H]2CC2(C)C)CC1	2004337858	WUVNDSVQNZBAJH-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(O)(CCCC2(C)CC2)CC1	2004339831	UDRPTWJBCIVVPU-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(O)CCC(CC)(CC)CC1	2004353535	QGCLMGMVAAWTRU-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1(C2CCC2)CC1	2004537426	HAJWJDXNIGCEGV-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@@H](C)C1(C)CCC1	2004823920	WXNJNDPHICFZPD-AWEZNQCLSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](Nc1ccc(C(F)F)cc1)C1(C)CCC1	2004833454	JYMLFCFTKPQTAW-SNVBAGLBSA-N	239.309	4.615	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@H]1CCC[C@H]1C(C)C	2007623832	XHZQSMMSLUCEKV-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CC=CCCC[C@@H](NCC)C(CCC)CCC	2009618276	AKQXDBKUTWHIHN-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCCC[C@H](CC1CCCC1)NCC	2009618426	BNVGKWYTJGFDMR-LLCTXKFZSA-N	237.431	4.681	0	10	BJAE	
CCCC1CC(N[C@H](CCC)C2CCCC2)C1	2009788603	WZTFANCXAYGGPQ-AVVWSFFYSA-N	237.431	4.514	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H](CC)CC(C)C	2010994344	FKCOYYBLMMRMCT-HOTGVXAUSA-N	237.431	4.548	0	10	BJAE	
CCCCCC[C@H](O)CC1CC(=C2CCC2)C1	2011056912	HZKQYDZWENILNA-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)[C@H]1CCC[C@@H](C)CC1	2011571445	FMSZNAGJKJMJQV-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCCC[C@H]1C[C@@H]1C)NCCC	2011583997	NPWWVMUCZWOBSA-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@@H]1CCC2(CC2)C1	2011643880	IDPZQNQXSKWPPW-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC[C@](CCC1CCCCC1)(CNC)C(C)C	2012417737	WEBXTVIMEFKNNB-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC12CCC(CC1)C2	2012810834	UFLFZSXBPDOVIV-PYBGIAKNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H](C)[C@@H]1CCC1(C)C	2014942123	KGXMKDJMWNSNAH-XGUBFFRZSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@](C)(CC(C(C)C)C(C)C)C(=O)O	2015277995	KZLOFJRSVOYDOE-OAHLLOKOSA-N	242.403	4.586	0	10	BJAE	
CCCC1(C[C@@]2(N)CC(C)(C)C[C@@H]2C)CCC1	2015644382	MOWPUWDBBFGJQC-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1(CC2CCC2)CC1	2015788709	PZTQAQQDAGFQHO-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(CC(=O)CC[C@H]2CC2(C)C)CCC1	2017123092	IWJFFWHSGJDBFZ-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CNc1ccc(C2CCC2)cc1	2017423970	NIFVINLQSBKDRA-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)CC2CCCCC2)CC1	2017727988	GNEUZGRYMZMTIW-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@H]1CC[C@H](C)CC1	2017764204	DUXHVKBPWUVVST-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C[C@H]2CCCCC(=O)C2)CC1	2017774784	SRRCOKHNPALPMP-YMAMQOFZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(O)CC[C@@H]2CC)CC1	2017777595	FULPZXMYOKDBHU-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)CC1(C(C)(F)F)CC1	2018132795	XEKIBJGDCZSHCO-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@@H](CC)CN1CCCC[C@@H](CC)C1	2019188203	GYMPQUDZBMNDLR-HZPDHXFCSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H]1CCCCN(CCCC(C)(C)C)C1	2019327401	GKJXYQNSQNLPBN-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H]1CCC(C)(C)C1	2019342050	HXCKWATWTIAFJQ-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CCC1=CCCCC1	2019770895	VRFQFBQIQBAGIY-MRXNPFEDSA-N	236.399	4.764	0	10	BJAE	
CCCC[C@H](O)CC[C@@H]1C[C@@H]1C1CCCCC1	2022527037	VYRXICYHICAZHM-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1C[C@H]1COc1ccc(C(C)C)cc1	2022543414	GSZXMZTYEGOMSI-GJZGRUSLSA-N	232.367	4.625	0	10	BJAE	
CCN[C@H](CCCCCC(C)(F)F)C(C)(C)C	2023280741	YANFLFGGJMZBKY-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC(F)(F)CCCCC(=O)CCC1CCCC1	2023343417	DMARORXNKRYUDB-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCCN[C@H]1CC(C)(C)C[C@@H]1CCC(C)(C)C	2023613345	RNDKNGTZRWTIJX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC(C)(C)C(C)C	2026165585	CPLMSBPBZBBYHQ-HUUCEWRRSA-N	241.463	4.993	0	10	BJAE	
CN(CC1(C)CCCCC1)[C@@H]1CCCC2(CC2)C1	2027298365	YHULSEGYDVUQJH-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)c1ccccc1C(C)C	2027516963	BBBHKVVGJSGTLV-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
CC1(C)C[C@H]1CCCN[C@@H]1CCC12CCCCC2	2027839878	MDIHXLUEXFYQIV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C1CCC2(CC1)CC2	2027842801	LOEDLNFVYAUZKS-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)[C@H]1CCC[C@H](C)C1	2028898337	UFGOLRLVZAUZDK-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(CN[C@H]2CCC23CCCCC3)C1	2029206639	SVJAKNGVLJASRO-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC2(CCCC2)C1)[C@H]1C[C@@H]1C	2034363529	NJRMVWDJWYEWLG-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H]1[C@H]2CCCCCCCC[C@H]2C12CCCC2	2035890248	GTHKYEJIYBYNBM-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(N[C@@H]2CCC[C@@H]3C[C@@H]32)CCCC1	2035892380	RAOARTFZTYCKJC-HYVNUMGLSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1	2036661378	PHNYRNBFAPNXCJ-ALYAQQCSSA-N	249.442	4.514	0	10	BJAE	
CCC1(C[C@]2(N)CC[C@@H]3CCCC[C@@H]3C2)CCC1	2037105572	NHDPAOURJROXDD-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)c1cc(C)cc(C)c1	2037168026	CMXSGDPIBJQSJI-KRWDZBQOSA-N	245.410	4.614	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CCC2=CCCCC2)C1	2037173068	XUQWQLVMFGUCMX-UAGQMJEPSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1CCCC1(C)CC1	2037221062	PPTGXBXYHJYEOF-ZIAGYGMSSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)[C@@H]1CCC2(CCCC2)C1	2037706947	ZJFVWTQIMRMZPW-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC[C@@H]1CC[C@H]2C[C@H]2C1)CC1CCCCC1	2038168390	YWUWKDOCYGRRJS-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)[C@H]1CC12CCCCC2	2039081060	GOQRPBHWDGIQDE-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2nc([C@@H]3CCC[C@@H](C)CC3)[nH]c12	2039377136	QALXDEVKPXLDPF-DGCLKSJQSA-N	242.366	4.555	0	10	BJAE	
CCN[C@@H](CCC1CCC1)CC12CCC(CC1)C2	2039421271	PTUXAIXDJLZVJO-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NC1CC2(C1)CC(C)(C)C2	2039462874	YNVOUQMMMHTRJV-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1CCC(C)CC1)c1ccco1	2040643103	BQRXUFOWEPWPTO-OOJKYFRXSA-N	249.398	4.535	0	10	BJAE	
C[C@H]1CCC[C@H](CNCC2CCC=CCC2)CC1	2041533341	PMGMFDUJHPXRQW-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CCC(C)(C)C1CC1)[C@@]1(C)CC=CCC1	2042023034	XXUNJFAZNXUSBS-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H](N[C@H]2CCC3(CCC3)C2)CC(C)(C)C1	2043609189	XNTGPTSQQKAUIJ-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C[C@H]2CCC=CCCC2)=C[C@@H](N)C1	2045327767	YDILEKUABWHHQX-GOEBONIOSA-N	247.426	4.587	0	10	BJAE	
C[C@@H](NC[C@H]1CCC=CCCC1)C1CC(C)(C)C1	2045333208	XDQMLMALNJIUQO-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
Cc1oc2ccccc2c1C(=O)[C@H](C)CC(C)C	2045585509	VDXYTNDQHKDNFZ-LLVKDONJSA-N	244.334	4.606	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)C1(C(C)C)CCC1	2045793419	HWICZWGEZAJMKG-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1O[C@@H]1[C@H]2CCCCC[C@H]21	2049190041	YRMLQOVYSIALQK-QLPKVWCKSA-N	244.378	4.597	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H]1CCCC(C)(C)C1	2049491521	ZZFZXLVHZUGRBS-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@H]1CC[C@H](C)CC1	2049687677	WGICVOTXRAESJK-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)C[C@H]1CCC2(CC2)C1	2049848711	LDQLRCGWXLKHQD-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1[C@H](CC=C(C)C)NCC	2051398256	DTHDFJBGOQCVIV-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CCN[C@@H](CC=C(C)C)c1cccc(C2CC2)c1	2051407430	YFKICTAGBDUYNZ-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CNC[C@@]1(CCC(C)=C(C)C)CCCCC12CC2	2053355116	HRZFCXDKASTTKN-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](C1CCC1)[C@H]1CCCCC12CCC2	2053413458	XJPUBCVWAPUSFH-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC=C1CCCC1)c1ccccc1C	2056878917	OJIOZIDPXVKOQA-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@]1(C)CC=CCC1	2059258588	IBFAWUVXKAPYQV-JSYWMUGDSA-N	249.442	4.847	0	10	BJAE	
CC[C@H]1CC=C(CC(=O)c2ccc(C)cc2)CC1	2061193902	CNUFDTQSAWURDW-AWEZNQCLSA-N	242.362	4.704	0	10	BJAE	
Cc1cc(C)cc(OCC2CC(=C3CCC3)C2)c1	2061707041	MJZNPKGPDWAAOC-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](CC2C[C@H]3CCC[C@@H]3C2)C1	2063427459	NGVXCRCXPZHGOG-WMHQRMGPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NCC12CCC(CC1)CC2	2065302868	MAWWTEGOAWOHTD-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@H]1CCC12CCCCC2)C1(C)CCCC1	2067516949	KCNQILKMOICOGZ-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068775685	YOOWMFQVEPTFRZ-AQRZSSMZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H]1CC12CCC2)C1(CC)CCCC1	2069197343	NTGKWWZMNGXSMQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C1(CC2CC2)CCC1	2069516151	WYGLRYDBTNPNQV-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(N[C@H](C)C2CC=CC2)cc1	2070793997	GXURAAWYEKHUGX-CQSZACIVSA-N	243.394	4.796	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2=C[C@@H](N)C[C@H](C)C2)CC1	2072816465	VSTYBQDAJXSUQU-ANQUJSFKSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(C[C@@H]2CNC3(CCCC3)C2)CC1	2072820060	HBBSKXMIDRLGIL-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(CC(=O)[C@]23C[C@H](C)[C@@H]2C3)CC1	2072873923	UGGYONKJSZQIGR-UBIAHUHOSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)Cc1ccccc1	2073340885	OGWNPHWWHSHWFV-NVXWUHKLSA-N	247.426	4.566	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C[C@@]12CCCC[C@@H]1C2	2074023295	BPOJLWVOPFTQBQ-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1(CC)CC1)c1ccccc1C	2074629984	UZHNLIZFQSSUJE-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CC(C)=C(F)CN[C@@H](C)c1c(C)cc(C)cc1C	2076363791	MZVWVAIQLYCLLX-AWEZNQCLSA-N	249.373	4.526	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1C[C@@H]1C1CC1	2079332917	MUQGXYZMEOYKIE-HZPDHXFCSA-N	244.378	4.543	0	10	BJAE	
CCC(CC)n1nc(C)c(C(C)(C)C)c1Cl	2079616887	MDFMFSPZYBYPDX-UHFFFAOYSA-N	242.794	4.504	0	10	BJAE	
CN([C@H]1CCCCC12CCCCC2)[C@H]1C=CCC1	2081808596	IGXOSYHLBLGHKL-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)C[C@H]3CC[C@H](C3)C2)C1	2082981321	CFTNGDMKHGMLMK-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(Cl)cc(O[C@@H]2CCCC[C@@H]2C)c1	2212529667	CBZOCMGVDMWEBR-SMDDNHRTSA-N	238.758	4.606	0	10	BJAE	
CCC[C@H](C)N1CCCC12CCC(C)(C)CC2	2213110868	MEYPVIPKFSXMEV-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
CC[C@](N)(CCCCCCC1CC1)[C@@H]1C[C@H]1C	2213573231	FNEDROPKOIBRKO-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CCCCCCC1CC1	2213578172	JHYQOUKICOWGQZ-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
O=C(CCCCCCCC1CC1)C1CCCC1	2213579435	SRIHVKLJNZNHHI-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCC1CC([C@@H](O)CCCCCCC2CC2)C1	2213583615	UJPFSXPORTXLDX-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@](O)(CCCCC2CC2)CC1	2214562222	FSVSMSQZNZAIHQ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@H]1CC)C(C)(CC)CC	2215253032	OCJZCGQMGPPIBB-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CC1(C)CC(C)(C)C1	2215376833	HBQSWDBWUQCFJE-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2CC[C@H](C)C2)CC1	2215808934	YVZOPPKKBSYXCW-DZKIICNBSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](O)(CCCC2CC2)C1	2216258903	RNVWKGLKJZZACF-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](NCC)C(C)(C)C)CC1	2216286921	ZENZGSNLTBCQMP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCCC(F)F)CCC(C)C	2216449191	KJHUCIZVAYWYPK-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC(C)[C@@H](C)N(C)CCCCCCCC1CC1	2216878022	SFVKVPNJEZOJAT-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)(CNC1CCC1)CC1CCCC1	2217127145	VVYYQMKXNZMRHS-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CNC1CCC1)[C@H](C)CCC(C)C	2217129364	KJPVMMFAENLEOX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@]1([C@H](N)CCCCCCC2CC2)CC=CCC1	2218718870	SGJFFXYOODNLCD-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CCCCC1CC1)c1c(C)cccc1C	2220028197	PUVWHVDVSXZVGB-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccnc(C(C)C)c1	2220886049	SOIUXEXNVFLOHR-UKRRQHHQSA-N	246.398	4.586	0	10	BJAE	
Cc1oc(C)c(C(=O)CC2(C)CC(C)(C)C2)c1C	2221075058	BWLCHCXCRPRQHL-UHFFFAOYSA-N	248.366	4.604	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1C)[C@@]1(C)CC=C(C)CC1	2221628346	CULQLBDTCVWVMW-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@H](CNCC(C)(C)C2CCCC2)CC1	2221663246	SHHQLHQITINPTQ-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC(C)CCC[C@@]1(CNC2CCC2)CC12CCC2	2223556216	IXXMBAVCMXXGSS-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N2CCC[C@@]2(C)C2CCC2)CC1	2223856257	BJPOWGRMVCVBFG-PREGVCBESA-N	249.442	4.610	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCNC(C)(C)C	2244839468	ZCOVXOFKTVVTEN-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC1CC(C)(CC2(N)CCCCCCCC2)C1	2246523502	IFPUBWAYGAJXSM-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C[C@H]2CC2(C)C)C1	2246663614	FYQDWUDQMYUKRB-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)NC[C@H](C)CC[C@@H]1CCC[C@H](C)C1	2246680423	QZKAVHBLOIWVBH-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1cc2ccccc2s1	2246873419	RPOLPDDCRWHHBX-SWLSCSKDSA-N	247.407	4.583	0	10	BJAE	
CCC[C@H](CC)CN[C@@H]1CC(C)(C)CC[C@@H]1C	2250382444	DSKQZYKRYRASFO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC[C@@H](C)CCCC(C)C)CC(C)C	2250488022	IDUYBVDWOKJMPG-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CC(C)(C)CCC1(C)C	2251676835	DANCNYSUNXJRLU-FYCOFBDGSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCC[C@H]1C(=O)C(C)(C)CCC1(C)C	2251713779	ULUYOFSAOHIAHM-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CC1CC(CCC(=O)CC(C(C)C)C(C)C)C1	2251764660	FXMCWSDYORHXFZ-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC1CC(C)(CC(=O)[C@@H]2CCCCC23CCC3)C1	2253656125	VMQRAYUPKIXDJS-BBBYJDLNSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CC[C@H]1CCCCC12CC2)CC1(C)CC1	2253825016	RHPFPXDGEVVCJV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Fc1cccc(NCC[C@@H]2CCCCC23CC3)c1	2253880338	IWTVPFQDDQNCMW-ZDUSSCGKSA-N	247.357	4.598	0	10	BJAE	
CNC[C@]1(CC[C@@H]2CCC[C@@H](C)C2)C=CCCC1	2253939894	WKMIDQUAZNKPJJ-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCCCCc1cc(CNCC)cc(C(C)C)c1	2254717876	DXKJYIYXCVNEFC-UHFFFAOYSA-N	247.426	4.652	0	10	BJAE	
C1=C(CCc2ccc3c(c2)CCCC3)CCCC1	2255126387	LNNYJVCRNUHUJN-UHFFFAOYSA-N	240.390	4.998	0	10	BJAE	
CCCCC[C@](C)(O)Cc1ccc(CCC)cc1	2256229479	DDQDVVCSIHGRHO-KRWDZBQOSA-N	248.410	4.513	0	10	BJAE	
C[C@H](Nc1cccc(C2CC2)c1)[C@H]1CC12CCC2	2256446044	IMMDQYAVWBIZLE-BLLLJJGKSA-N	241.378	4.555	0	10	BJAE	
CCC[C@H](CC)C(=O)Cc1ccccc1C(C)C	2259438165	WADLUFIAKIRWIN-AWEZNQCLSA-N	246.394	4.748	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@]12CCC[C@H]1CC2	2260579006	OOABXPRYUSHMQU-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@]12CCCC[C@@H]1CC2)C1(C)CCC1	2260675917	ZSUNJOBUFGZAHS-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@@H]1CCC1(F)F	2299032075	FHGSKNONHVBBIQ-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CCC[C@@H](C(C)C)CC1	2300899616	QBIBHIXJCABJIC-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CCc1cc(C(C)(C)C)ccc1O	2300923024	FFJXXYCXFRHMOG-UHFFFAOYSA-N	232.367	4.589	0	10	BJAE	
CC(=CC[C@](C)(N)[C@@H]1C[C@H]1C)CCCC(C)C	2300925626	DWHFXCARIHLCHG-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](C)[C@](C)(N)CC=C(C)CCCC(C)C	2300925650	FAGWVHGIWJTTMN-JKSUJKDBSA-N	239.447	4.913	0	10	BJAE	
N[C@@]1(CC2CCCCCC2)CCC=CCCC1	2301140782	RWYMAAJMTNQPBG-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)NCCC1(C)CCCCC1	2301834759	ASUFFXXNZUXWQP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)NCCC1(C)CCCCC1	2301834761	ASUFFXXNZUXWQP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)CCC1=CCCCC1	2301929241	TWWNZDXFGAESHG-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
c1sc(C2CCCCCC2)nc1CCC1CC1	2302270533	GDMIGZDTCJKBNY-UHFFFAOYSA-N	249.423	4.924	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@@H]1C)CCCC(C)(C)C	2302608756	BDUZTPWZSPJBER-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CCC[C@@H]1CCC(C)(C)C1)NCC	2302751033	OEUZJPJLVCHDHR-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@]1(CO)CCC(C)=C(C)C1	2303481508	XMHXYDIWWDSNML-MRXNPFEDSA-N	238.415	4.702	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@](C)(N)CC(C)(C)C)CC1	2303521933	KBMIIOHARRFJCV-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCCC1CC(N)(CC[C@H]2CCC(C)(C)C2)C1	2304430733	CTGISDGNPKMXSA-VQCLRJIVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@H]1CCC[C@@H]1C	2307901051	HJNXEUBJHCCJBK-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)C(C)(C)CCF	2307909267	SXNFXKIDWHCNGK-KGLIPLIRSA-N	245.426	4.567	0	10	BJAE	
CCC1(C[C@@]2(N)C[C@@H]3CCCC[C@]3(C)C2)CCC1	2308413328	JGFILKOBLUNMHC-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(C[C@@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2311023195	XSLUNTYXHWFGRU-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCCC1	2313165891	ZGPPKGASGHJSBP-UGQVUOCMSA-N	248.410	4.598	0	10	BJAE	
CCNCC1(CC=C(C)CC)CCC2(CC2)CC1	2316491978	QTTBLMXZAQJBMI-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1C[C@H]2CC[C@H]1C2	2316501433	GXTUADJAKKHYAJ-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@]12CCC[C@@H]1CC2	2316509808	QVVPFAKHVXDNEH-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@H]1CC=CCC1	2317914712	FTIXKAVHRCPSKS-CYBMUJFWSA-N	247.357	4.717	0	10	BJAE	
CC(C)c1ccc(F)cc1NC1C[C@@H]2CC[C@H]2C1	2317929649	ZXLCVHOSWYFNKT-RYUDHWBXSA-N	247.357	4.550	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)CCCC1=CCCCC1	2318566112	UCBJXXJDEXOJBV-HLLBOEOZSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@]1(N)CCCC12CCC2	2320258929	PXLDSPUHHPAIID-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2C[C@@H](N)CC(C)(C)C2)CC1	2320333397	GJUKMRQOHUUEBW-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H](CC1CC1)C1CC1	2320514045	LOQDNEAMEAJERW-DYVFJYSZSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](CCCc1cccc(C(C)C)c1)NC	2320633970	UAVUVLUJZLRKGJ-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
O=Cc1ccc(/N=N/c2ccccc2Cl)cc1	6473590	JGJDCMXHNJBLKT-FOCLMDBBSA-N	244.681	4.568	0	10	BJAE	
Cc1cc(C)c([C@@H](C)Nc2ccccc2)cc1C	20007891	KRQWWGVZQIOYMC-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCCC[C@@H]1C(C)(C)C	36920835	SJHOJPGCACCDCK-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(=O)c1ccc(S[C@H]2CCC[C@@H](C)C2)cc1	54691615	DHFAGPMLIDZHPG-ABAIWWIYSA-N	248.391	4.560	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CCC)CNCC	71126873	JYQODBJYGYWYQW-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CCC[C@H]1CCc2[nH]c3c(Cl)cccc3c2C1	87818866	QWFOYHOWAJVPJP-JTQLQIEISA-N	247.769	4.726	0	10	BJAE	
CCC1CCC([C@H](N)c2cc(C)cc(C)c2)CC1	87934287	WMQYWNNRVWWZQA-DQPZFDDXSA-N	245.410	4.520	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2cccc(C)c2C)C1	87984621	PJYSTQQUFIRQMT-GJZGRUSLSA-N	244.378	4.703	0	10	BJAE	
CCc1cccc(C)c1NC[C@@H]1CCC[C@@H](C)C1	89607915	LWGURPQPKYFMFX-UKRRQHHQSA-N	245.410	4.796	0	10	BJAE	
Cc1cc(C(=O)CCC2CCCCC2)ccc1F	94073439	UJQVCZSKZAUFLH-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](CCC)CC[C@H]1NC	109664078	NWHWSOXQMHERKO-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1ccc(CCC)cc1	109788336	WNEBGRJXUMAFAC-WBVHZDCISA-N	248.410	4.889	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)(C)C)C1=CCCCC1	110228492	KCHJKKVBIKYPGU-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](O)(CC)c1ccccc1	111745567	UHBNQAIQOBSSFT-DJIMGWMZSA-N	246.394	4.501	0	10	BJAE	
CCCC[C@@H](O)c1cccc(-c2ccccc2)c1	137899460	KOOTWXCWXUREST-QGZVFWFLSA-N	240.346	4.577	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC[C@H]1C(C)(C)C)c1ccco1	160773618	UBPLTZURMZMLER-MGPQQGTHSA-N	249.398	4.535	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)C1(CC(C)C)CCCC1	162381398	CRSYDLVKPIMPEI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC[C@@H](C)C1)CC(C)(C)C	166250891	ZBLWDTOVSFJIAC-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1CCC1)NCCC	167096189	VFXFPQAAUQCBJC-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
C(=C\c1ccccc1)\CSCc1ccccc1	206003009	ZCWGQVMUFLRTTQ-GHXNOFRVSA-N	240.371	4.633	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCC[C@@H]1C(C)C	214465675	UCPWWAQRARXMNS-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)[C@@H]2CCC[C@@H](C)C2)C1	226989359	YEKMKDASFUDEHD-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2CCC[C@@H](C)C2)n1	228578634	RVSQSVQEXUXKDL-WOPDTQHZSA-N	237.412	4.950	0	10	BJAE	
CC(C)[C@@H](NCC(C)(C)C(C)C)c1ccccc1	232687468	OOXNVKBHUJBYDC-MRXNPFEDSA-N	247.426	4.656	0	10	BJAE	
CCCNC[C@H](c1ccccc1C)[C@H](C)CCC	233088032	MHVBTPHHLATBJJ-PBHICJAKSA-N	247.426	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c(C)c1	251156972	KSOLHRANZLPUAS-NHAGDIPZSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CC[C@@H](CC)C2)C1	251626074	LUNBSKJURIBGPO-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@H](C)C(C)(C)C	253031767	GLEKLOZQIIAWLB-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@H]2CCNc3ccccc32)C[C@H]1C	300115239	DITDXMMRPJSIMB-KBXIAJHMSA-N	243.394	4.658	0	10	BJAE	
CCCNCCC(C)(C)CCCC(C)(C)C	300888294	PKAIQRCMTICHOJ-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCc1ccccc1[C@@H](C[C@@H](C)CC(C)C)NC	302328883	KNJGTLZYUDSVBA-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CC(C)(C)CCCC1(CNC(C)(C)C)CCC1	305904172	DJZCHZNOZJNXOE-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@H](CC(C)C)C[C@@H](C)CC(C)C	305991642	SXQZEGJQTHWIDH-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CCc1cc2sccc2c(Cl)c1Cl	306567422	ZQPKZORBHSUMTI-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H](CC)CC(C)C	308101440	RRKSGIITMSOEIT-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C1CCCCCC1	308103929	ICFRTFTYNYSFAB-HNNXBMFYSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC1CCC(C)(C)CC1	310175939	VEPLEXBUQLKZGS-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CCC)C1CCCC1	313408276	LXXPIKROVMDFFT-HOCLYGCPSA-N	239.447	4.904	0	10	BJAE	
CC(C)[C@H](NCC1=CCCCC1)c1cccs1	379572340	SRQQPIPZSJTDLK-HNNXBMFYSA-N	249.423	4.535	0	10	BJAE	
C[C@H](CC1(CN)CCCCC1)C1CCCCC1	379932130	UYRKHCDLZSEQIS-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CC(C)C(Nc1ccc2ccccc2c1)C(C)C	380624047	BLEQELYOPUZTHU-UHFFFAOYSA-N	241.378	4.932	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H]2CCCC[C@H]2C)cc1	384981622	JNKOBNSSQYHGCK-CZUORRHYSA-N	244.378	4.648	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)CCC1CCCC1	386645684	RYODPNCFZTYGQU-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CCC(CC)NCC[C@H](C)CCC=C(C)C	390800516	YBCYMKXEAJRVLO-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC(C)CCCCCNC[C@@H]1CCC[C@H](C)C1	394780199	YOGLFKRNMUBRSZ-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCc1cccc2c(C(F)(F)F)c(C)sc12	396297075	DVOCCRKZTQUTFY-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C(C)(C)CC	402118371	APCWOTLYLXCWOF-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
O=C(CCCC1CC1)c1ccc2ccccc2c1	405893529	YOZXWYLIGVYQHI-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCCCC[C@@H]1C(C)C	691129280	ULNKEXLAIJOLJB-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccc2sccc2c1	691852078	YORMNTFVTXXKON-ZDUSSCGKSA-N	248.391	4.761	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1csc2ccccc12	696653315	TVKKYYJERQQYMD-CYBMUJFWSA-N	247.407	4.727	0	10	BJAE	
CCC(C)(C)CC(=O)CCC(C)(C)C1CC1	697214212	GXGBGHQONXGINA-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H]1C[C@H]2CC[C@H]1C2	697771169	IIVCULOTYVZEHI-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@]1(CNC2CC2)CCCC[C@@H]1C	698055319	KIEJSYNNKWSILS-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@H]2C[C@@H]3C[C@@H]3C2)cc1	700097336	ZOJARDKFTIDFAU-LUYZLQTOSA-N	243.394	4.658	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)C(C)(CC)CC	701097939	ZWZCGEMWABDWEQ-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
CCCC1CCC(N)(CCC2=CCCCC2)CC1	701974303	SGPWVFXGFJRZRO-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC(C)(C)C)CC1(C)C	702164912	MPYPMVGEEJPWNX-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)CC1CCCCC1	704471615	JBWUBCWZZUUWNQ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@]1(O)CCCC(C)(C)CC1	704797696	JAZRVXYWTOOYTJ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCCCC[C@@H]1C	704941964	OAKDGFOUNOFUAA-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](CC)CC(N)(CCC)CCC	704976469	IOCVTPPFGAJELO-CQSZACIVSA-N	227.436	4.891	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CC[C@@H]2CCC[C@@H]21	707776170	VWXURWFPRHQGOD-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H](NC)c1cccc(C(C)(C)C)c1	709503328	XFZRLJQOWDKQAI-INIZCTEOSA-N	247.426	4.825	0	10	BJAE	
Cc1cccc(N[C@H](C)CC2CCCCC2)c1	709755039	FRZUEIYVKVBBQZ-CQSZACIVSA-N	231.383	4.766	0	10	BJAE	
C[C@H](C[C@@H](N)C1CCC(C)(C)CC1)C(C)(C)C	710779509	VVOHQOUSWSYEQZ-TZMCWYRMSA-N	239.447	4.602	0	10	BJAE	
CCC[C@](O)(CC(C)(C)CC)c1ccccc1	713156279	YEGZPTXUYVWDNB-INIZCTEOSA-N	234.383	4.501	0	10	BJAE	
CCC(C)(C)COc1cc(C(C)C)ccc1C	713236724	RITHKIGMWWBJIL-UHFFFAOYSA-N	234.383	4.933	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1CC(C)(C)CC	713268441	LBZBSJVJJAEOPC-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C[C@@H](C)C(C)(C)C	718601519	QLNUXJXXIQDCSM-KGLIPLIRSA-N	226.404	4.556	0	10	BJAE	
CC(C)(C)NC[C@]1(C2CCC2)CCC=CCCC1	719056055	KAPVOPWQENSSMB-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(Cl)cc1NCCCCC1CC1	720115962	BZNVTWJFLKWFMV-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CCC[C@H](C)C1	721691026	IWKHKYQWLDCRMV-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CSc1ccccc1-c1cccc(Cl)c1	722386345	VIHCRWPVYMFNJO-UHFFFAOYSA-N	234.751	4.729	0	10	BJAE	
CC[C@H](N[C@H](C1CCCC1)C1CC1)C1CCCC1	723963601	IJMUFBRATYHQQW-DLBZAZTESA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1NC1CC2(CCC2)C1	829310501	QLNSTWRELDMOAI-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)c1cccs1	1258430198	JVNKLRROKLBQNX-OLZOCXBDSA-N	239.428	4.758	0	10	BJAE	
CCC1(CC)CCCN(C[C@H]2CC=CCC2)CC1	1308691042	KZTMZHDLOPVLGO-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC[C@H](C)CN[C@H]1C[C@@H](C(C)C)c2ccccc21	1474232903	BWRZKXLSLAZSOB-JQFCIGGWSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1CCCC[C@@H]1COc1ccccc1Cl	1559326324	ATLCYXDUKFUEMH-NWDGAFQWSA-N	238.758	4.545	0	10	BJAE	
CCC[C@@H](C)CCNc1nc2ccccc2s1	1612830614	RZBSXMSTZBZTCB-LLVKDONJSA-N	248.395	4.535	0	10	BJAE	
CC[C@H](CSc1cccc(F)c1)CC(F)F	1652694050	ACVGEVIRJAWQDY-VIFPVBQESA-N	248.313	4.599	0	10	BJAE	
Cc1sccc1-c1sccc1C1CC1	1889519219	PJNJONQDZLHZHG-UHFFFAOYSA-N	220.362	4.662	0	10	BJAE	
CCC(CC)CC[C@](N)(CC)c1cccs1	1900710311	VBFYESYTCGQLOZ-CQSZACIVSA-N	239.428	4.529	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCC[C@H](C)CC1	1900712700	KLSPILYTMKXXGO-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC(C)=CCC[C@H](O)c1ccc(Cl)cc1	1900841351	XIVVBSOJUYOLAV-AWEZNQCLSA-N	238.758	4.510	0	10	BJAE	
CCCCCC(=O)C[C@H]1CC[C@@H]1C(C)(C)C	1902747254	VTJAKJZQFRKDFF-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
CCCCC(=O)CC[C@H]1CCC(C)=C(C)C1	1902828454	MLPRKUCYUNLTFU-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H](CC)CCC	1905381618	LFOCATDVYVIEOM-HUUCEWRRSA-N	228.420	4.924	0	10	BJAE	
C[C@H](C[C@H](O)CCC[C@@H]1C[C@H]1C)CC(C)(C)C	1908538436	WKTXBOWUYVVDEW-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC1(CN)CCCCCCC1	1908551835	JAWVOZSDQPLHRO-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CC=CCCN[C@@H](CCCC)c1ccc(F)cc1	1912042561	UEKQJFQGSAJYHR-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CCC(CC)C[C@](N)(CC(C)C)c1ccccc1	1920485246	XDTVAWJXUSEVGL-QGZVFWFLSA-N	247.426	4.713	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1CC(CC)C1	1921279670	GZXXHLVQNQEFFB-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(CN)CCCC23CCC3)C1	1921656422	GPECGVYYUPEXKP-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)[C@@H](C)C1CCCCC1	1924079501	WFLZMXYPJREWGT-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C(=O)CC[C@@H]1CC1(C)C)C1CCCCC1	1924106182	BZQKQZJAFNLXJC-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)C[C@H]1C=CCCCC1	1925772851	RAKMJEZGWFNJIH-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CC(C)=C(C)CCC=Cc1ccccc1	1928096521	AANHZJHZBOWZKJ-UHFFFAOYSA-N	200.325	4.836	0	10	BJAE	
CC(C)c1csc([C@@H]2C[C@@H]3CCCC[C@H]32)n1	1936498741	AIZITLPVJIIHFD-QJPTWQEYSA-N	235.396	4.560	0	10	BJAE	
Cc1ccc(OCC2CCCCC2)c(Cl)c1	1936605656	QRQFJXAADHMOLU-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCc1ccc(OCC2(C)CCCCC2)cc1	1940384112	YUDLEBVXRGXOSY-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CC[C@H](NCC(C)(C)C1CCCCC1)C(C)C	1940761490	AHBGYOPJMGPWFZ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NCC)[C@H](C)[C@@H](C)CC	1941268571	HLCKUUJPCGGWRV-ZJIFWQFVSA-N	241.463	4.719	0	10	BJAE	
CC(C)=CCCC(=O)[C@@]12CCCC[C@@H]1CCC2	1944236991	UPJLQERJSZJZIK-GDBMZVCRSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)CC(=O)c1cccc2sccc12	1945961841	RDBFLRCTALRTNB-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
C[C@@H]1CC[C@@H](NC2CCCCCCCCC2)C1	1947880774	HHBQHQZJURFJNP-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@@H](CCC)CCCC1=CCCCC1	1948838332	PCNZVISPHKNMPW-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@H]1CCC(C)(C)C1	1949500896	IANCHYAQWZGSQV-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCCC1CC(C)(C)C1	1949860036	QMIQXQXSWPPHDA-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](O)CC2CCCC2)C1	1949867885	CVLZMGVFKXYQAX-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC1(CCC(=O)CC2CCCC2)CCCCC1	1949872129	XKXKJKVXODSNQS-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@](O)(CC1CC1)CC1CCC(C)(C)CC1	1950095775	PTPWVQQOWBLJDF-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CC12CCCCC2)C(C)(C)C	1950605911	XIDTXIQUXKVKHR-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C1CCCC(NC2C[C@H]3CCCCC[C@@H]3C2)CC1	1965858867	APSPWSHVCSHASN-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](NC1C[C@H]2CCCC[C@@H]2C1)C1CCC1	1967696982	QBSHUYVBTZOUMQ-INMHGKMJSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCC[C@@H](CC)CC1	1967708733	SRDYVGIOFNZESC-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
CCC1CCC(COc2cc(C)cc(C)c2)CC1	1968307980	RLLGVPSUMOOYTL-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)C1(C)CCCCC1	1975572329	BAHGKSMCLKOWQC-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1CCC[C@@H](CC)CC1	1976343207	TVJRHBBJNAOITE-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CCc1ccsc1[C@H](N)C(CC)(CC)CC	1985604763	BZTBFUUMCOLTAC-ZDUSSCGKSA-N	239.428	4.527	0	10	BJAE	
CC[C@H](C)Cc1coc2c(Cl)ccc(F)c12	1995463552	LMMKOTDMPRMTIR-QMMMGPOBSA-N	240.705	4.814	0	10	BJAE	
C[C@H]1C[C@@H]1c1nc(C2CCCCCC2)cs1	1995499122	YLQYMEYHUBFNRQ-JQWIXIFHSA-N	235.396	4.704	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H](N)C2CCCCCCC2)C1	1996236546	HAFQUSNRYVTAEX-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CC(C)(C)C)C1CCC(C)(C)CC1	1996547322	NPHYUIWFEHQATO-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@@H]1CCC(C)(C)C1	1996593410	GRLSOCNNAOEFRM-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC(C)C)[C@@H](CC)C1CCCCC1	1996595812	YSGRTCIISBXUSO-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCC[C@@H](CC)CC1	1997116717	MMHZWCUTQADFOT-PMPSAXMXSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@]1(C)CC=CCC1	1997552922	UXNXKVLCGGQBAP-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)CCCCCC1CC1	1998737992	HOHMZZHYMKIAPM-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC2CCCCC2)C1	2000096931	NDINNHCIABWATG-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)CC2CCCC2)C1	2000174228	QBLNTLUAKRDMHO-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C1(C)CCCCCC1	2000319805	JXBUXXVCNYPUOR-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCCC1CC1)CC(C)(C)C(C)C	2000371393	HPIMCVZDHTVJHL-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@@H](C)[C@H](CCC)NC)CC1	2002921293	NHEPKWPPJJGXGB-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)CCCC2CC2)C1	2002997814	GLROSEDIWCSGPN-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC1(CNC2CCCCCCCC2)CCCC1	2003100709	SLFNXKUPXWVTKJ-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCCCCCC[C@H]1O	2003112883	YRKOYULHYCMFTP-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](N)CC1CCC2(CC1)CC2	2003218457	RBQJAGYKBSCPII-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCCC3(CC3)C2)s1	2003286034	AHUWLVHYYQBZCW-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@H](C)C(C)(C)C	2003648573	ZBEIAYQUKLDYAW-CYBMUJFWSA-N	232.367	4.640	0	10	BJAE	
CC(F)(F)c1ccc(C[C@H]2C=CCCC2)cc1	2005606901	YIUBOIBNHYSWTK-LBPRGKRZSA-N	236.305	4.697	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCC[C@@H](C(C)C)CC1	2009572824	PAZCLWQVUMNWGC-SGFLJFKBSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@](C)(O)C1CCC(C)(C)CC1	2009593420	PPRVWZTZNBEFQM-JFDDCEBESA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@H](CCC(C)(C)C)NCCC	2009598961	UKWYUTWWAWYEJL-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCC[C@H]1CCCCCCC[C@@H]1NC	2009611748	NEYBFZYLHMNLBV-PIGHNIFASA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)[C@@H](NC)C1=CC[C@@H](C)CC1	2010623687	JDRJYLZYFVRUOE-CZUORRHYSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)C[C@@H](C)C(C)(C)C	2013237515	RSNLVNGNCUDMEC-HIFRSBDPSA-N	239.447	4.569	0	10	BJAE	
CCC1([C@@H](N)CCC(C(C)C)C(C)C)CCC1	2015361148	PWSHMMXBALQWMC-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)C1(C)CCC(C)(C)CC1	2015389334	UOQXFBHMTLCUII-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(N)CCC2(CCCCC2)C1	2015409428	QPWHOOOYJAVAQS-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H]1CCC[C@@H](C)C1	2016115593	SYVOMMJLYPMNSA-OAGGEKHMSA-N	237.431	4.667	0	10	BJAE	
c1cc2cc(N[C@H]3CC[C@H]3C3CC3)ccc2s1	2017046851	FUENFLBADUQITQ-KBPBESRZSA-N	243.375	4.502	0	10	BJAE	
CCCC1CCC([C@@](C)(N)C(C)=C(C)C)CC1	2017489253	FRUPTHQEIHKPFB-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CCCC1CCC(C[C@@]2(O)CC[C@H](C)C2)CC1	2017648551	NUYNPEWIFBYYNH-SLTXQBBLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CCC(C)(F)F)CC1	2017656288	VQOAHTGOPBYKPD-HAQNSBGRSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C[C@H]1CC[C@H](C)CC1	2017721864	CGHTXFKEFGFSDR-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@@H](N)C2CC2)CC1	2017736233	XNZAFJYVFFWIGG-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@@H](C)C1CCCCC1	2017792421	AFNIUNSROXIYGD-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C(C)C)C1CCC1	2018128182	WRPZXSLHIXFJDE-HZPDHXFCSA-N	239.447	4.760	0	10	BJAE	
C[C@@H](c1cccs1)N(C)[C@H](C)c1ccccc1	2019114743	OHHTYTIHJUHLHQ-OLZOCXBDSA-N	245.391	4.502	0	10	BJAE	
CC(C)=C(F)CNc1ccccc1C1CCC1	2021026996	MEEBXNYTCUCKHQ-UHFFFAOYSA-N	233.330	4.629	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CC1CCC(CC)CC1	2022416433	CNOXVNYATUYTDI-CVSAEHQPSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2022994432	QNPUZLVZBIXNKZ-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)[C@H]1C=CCC1	2023257443	MJAYUAQOSZHPRX-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CN)C[C@H]1CCCC(C)(C)C1	2024091785	LNXIWRLDHQFPFU-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
CCN[C@H](CC)[C@@H](C)C[C@@H]1CCCC(C)(C)C1	2024101198	IVXFDKAOHRFPHZ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](O)CCC1CC(C)(C)CC(C)(C)C1	2024116961	JMPBPNKWGXDSKN-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@H]1CCCC(C)(C)C1	2024118808	OTGVJRDQMGPSDI-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@@H](C)C(C)(C)C	2026165337	AMENDODPZPGIOE-RRFJBIMHSA-N	241.463	4.993	0	10	BJAE	
CCC1(C(=O)c2ccccc2C2CC2)CCCC1	2028575625	FUKRANYXMUOGIK-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
C1=CCCC(CNc2cccc(C3CC3)c2)CC1	2028888065	LRDZNROIZONFIQ-UHFFFAOYSA-N	241.378	4.722	0	10	BJAE	
CCCCc1ccc(N[C@H]2C[C@@H]3CC[C@@H]3C2)cc1	2029081440	SROBQQWNLAZBCQ-SCAQPMJSSA-N	243.394	4.630	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCCC[C@H]1C1CC1	2035414612	XHYKMFXWDRDCIN-QZWWFDLISA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)c1cccc(C)c1	2035422998	LYRVFEZAEWHRHW-ZMSDIMECSA-N	245.410	4.614	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@H]2CCCC[C@H]2C)cc1	2037084524	SRGBHQUOZOMHGG-XOKHGSTOSA-N	245.410	4.636	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](N)(C2=CCCCCC2)C1	2037094985	XDIHESRQLMBANO-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)c1ccccc1C1CC1	2037106305	CUPLABBHTKGJSE-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
N[C@@H](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCCCC1	2037131771	HGYKPUOUFDYNTJ-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@H]2CCC3(CCCC3)C2)C(=O)C1	2037682232	LAYUFQAPFWNYGT-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@H]1CCC2(CC2)C1	2038581104	YOXWBSNEPJNEGA-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC2(C1)CC(N)(CCC[C@@H]1CC1(C)C)C2	2039462384	RWRSFOHFSYCRJJ-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1ccccc1C1(C)CC1	2040719639	QFCWSWZOTNDEIW-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC2(CCC2)C1	2043603230	DOFZRRQMOQMIFY-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCC=CCCC2)C1	2045309757	JKAARFHFNJTNPB-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
Cc1cccc(NC[C@H]2CCC=CCCC2)c1F	2045330098	TZGOPEYRPJOKMB-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
CC1(C)CCC[C@@H](n2ccc3c(F)cccc32)C1	2045454257	HJEOAMQYWZCDNX-GFCCVEGCSA-N	245.341	4.922	0	10	BJAE	
CN(CCCC1CC1)C1CC2(CCCCCC2)C1	2046322514	MCHJRSWIRNQFQB-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@@H]1CC12CCCCC2	2047055985	OZFPNEZRMDCSOU-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047424411	KUVNOGHAZKEHCN-OWCLPIDISA-N	246.394	4.684	0	10	BJAE	
CCC1(CN[C@@H]2C[C@H]3CCCCCC[C@@H]32)CCC1	2047433759	DPQFQAGYAGXLRZ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)C1=CCCCCC1	2049792515	HTKDHEZJLNWVIT-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC2(CC2)C1)CC1(C)CC1	2049862659	WNBKEYYVBNUUHC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CN(C[C@@]1(C)C=CCCC1)[C@@H]1CCCC(C)(C)C1	2049957184	ADFCJFRBAYOOJH-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)[C@@]2(C)C=CCC2)CC1	2050001610	ZTUYXZQCKXVTML-NDTCATRNSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](CCCC1CCCC1)c1ccccc1C	2050461519	WKFDLMADGGVCFH-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCC(CCC)C(=O)c1cccc2[nH]ccc12	2052188516	NFHVVAUQOJPGSA-UHFFFAOYSA-N	243.350	4.567	0	10	BJAE	
CCCNC[C@]1(C2CCCC2)CCCCC12CC2	2053354917	HHJWXJSPMVHJPD-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)[C@@H]1CCCCC12CCC2	2053430499	QHPWVJCRERRLPV-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
C[C@H]1CCC[C@H]1C1(N)CC2(CCC(C)(C)CC2)C1	2055281508	AIXAFQXPBPOKPI-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC=C[C@H]1NCCCC1CCCCC1	2055546278	XOVVUTGYVMDEPG-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)C1(CNC2CC2)CCC2(CC2)CC1	2056523371	NTTOVCSZEPVWTD-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CC(CC)C1)[C@]1(C)CC=CCC1	2056646374	UNNKVXSSBYBPDU-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CC(CC)C1)[C@]1(C)CC=CCC1	2056646376	UNNKVXSSBYBPDU-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2CC(C3CCC3)C2)C1	2056669853	PKIUCDZIMOUFKX-JMVNKWJPSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H]1CC[C@H](C)CC1	2056875327	FVBLDCRMWBIMOZ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C)CC2=CCCCC2)C1	2058829651	MDWUIKGYBHZIOU-AWEZNQCLSA-N	249.442	4.824	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@H]1CCC2(CC2)C1	2059179708	DKMRWJGNMVGWIH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C1=CC[C@@H](C)CC1	2060920787	HBPZLZXPBYMPLB-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C(C)C)CC1)C1(C)CCC1	2061083683	DWSSYVXGFMZWHL-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)C2=CCC(C)(C)CC2)C1	2061114635	AFUYKVNHSOWCNK-CWRNSKLLSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C(C[C@H](N)c2ccc(C)cc2)CC1	2061144953	VFBIHBABUGIIEU-YOEHRIQHSA-N	243.394	4.521	0	10	BJAE	
C=C=CCC[C@H](NCC)c1ccccc1C(C)C	2061562345	CFVBVGGMHXNEOO-KRWDZBQOSA-N	243.394	4.582	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CC[C@]12CCC[C@@H]1C2	2061615863	XVUQYDCBIZSUBC-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC(=O)CC1CC(=C2CC2)C1)C(C)(C)C	2061699954	RVQIKPONHQAWRA-HNNXBMFYSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CC2(CC(C[C@@](C)(N)CCC3CC3)C2)C1	2063204779	SZZUOLUTXXEWKQ-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063501225	NIZYZXOKVDEMJB-JVFQJLMCSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)C2CC3(CC3)C2)CC1	2064497315	JBTDYYTUDHDSEV-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CC23CCC(CC2)CC3)CC1	2065278691	AKYUNEAQORGTBV-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
C1CCCC2(CC1)CCC([C@@H]1CCCNC1)CC2	2065897148	KHBLHFCWOCURDG-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC[C@H]1C(N)(C1CCCC1)C1CCCC1	2065936077	VQODOQZIBYNKTM-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@]2(CNC3CC3)CCC2(C)C)CCC1	2068243851	MILNEJVCORVING-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(C[C@@H]2CC23CCC3)C1	2069175061	NEDUATUXLNXJFO-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CC12CCC2)CC1(C)CCCC1	2069214427	LATNZQOMJCGOFO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC1(CN(C)[C@@H]2CCC23CCCCC3)CCC1	2069325347	BJFFHNBZMUAFNL-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC2(CC3CCC3)CC2)C1	2069586362	BSHXKLGZGNZRQJ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(CC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CCC1	2071917425	KQXUDUKLZORYKI-GZBFAFLISA-N	248.410	4.598	0	10	BJAE	
CN[C@@H]1[C@H](C[C@H]2C=CCCCC2)CCCC1(C)C	2076402050	QQCJQQWTVDDDPA-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc([C@H](C)CCNCCC)cc1	2077921476	XMVSCWOQSWADGE-OAHLLOKOSA-N	247.426	4.522	0	10	BJAE	
CCCCc1ccc([C@H]2CCCCCC2=O)cc1	2077922712	DROLFXRBFVVDQU-MRXNPFEDSA-N	244.378	4.646	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2C[C@H]2C2CCCCC2)CCC1	2079837978	DTZWMRJHILLPCB-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@](C)(O)[C@@H](C)CCC(C)C	2081225564	YKDGUGOTIBLDOP-WMLDXEAASA-N	248.410	4.529	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCC[C@H]1C(C)C	2081944118	FLEURQGXMQOFLL-HOCLYGCPSA-N	249.373	4.625	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)c1cc(C)cc(C)c1C	2082918991	MHMPRJVFLIZBPU-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
CCCC1(CC(=O)c2cc(C)cc(C)c2C)CC1	2082953973	RKHNNLNEWGPCHY-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](N[C@H](C)CC2=CCCCC2)C1	2085246005	ZWCJSDDRYVLUTR-HYVNUMGLSA-N	249.442	4.680	0	10	BJAE	
CCc1cccc2cc(C(=O)C[C@@H](C)CC)oc12	2086602976	KIFAUXOIPZZEPA-NSHDSACASA-N	244.334	4.614	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213285223	OVYSRIOHRZKXIB-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CC(C)(CCCCCCC1CC1)CNC1CC1	2213576154	NGNDXCIXLDQIGO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](C)(CC[C@@H]1C[C@H]1CC)CNC(C)C	2215265923	MXTPYSQQNWYQGU-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)(C)C1)[C@@H](C)CC	2215399391	VWEDDVSZGOLMEP-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
O[C@H]1CCCC[C@H]1CCCCCCCC1CC1	2216877718	PIMVDIFZVCADMD-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CC(C)C)CC(C)(C)CC	2217139512	SPQJXFIIUMBVSI-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC1(C)CCC[C@H]1NC1C[C@H]2CCCCC[C@@H]2C1	2218019374	XGUKGXDBLDFZAM-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218352229	VWFFJLRDJSWWGP-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCNC[C@H]1C[C@H]2CCC[C@H](C2)C1	2218370351	GCMCGTLRIYOKGC-BJWYYQGGSA-N	249.442	4.539	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CCC[C@@H]1C1CC1	2218731749	LXJOXHBVGQHNPW-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@@H]1CCCC2(CC2)C1)C1CCCCC1	2220289684	BLEYJRMJRLMBJK-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
CCC1(CN(C)C[C@@]2(C)CC=C(C)CC2)CCC1	2221596994	HBCMVTCCEVSGQD-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)[C@H](C)C1CCCCC1	2221929311	WULYBQFMVIWEGH-PBHICJAKSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1=O	2222973865	YNUMMZKFYPWDGW-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CCCCc1ccc([C@H](N)CC(C)(C)C)s1	2242599351	UPSSQKFTAYVOCG-GFCCVEGCSA-N	239.428	4.527	0	10	BJAE	
CN[C@H](CCCC[C@H]1C[C@H]1C)CCC(C)(C)C	2247130544	VYZFXMRMOKHSCD-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CCC1(C)C)C1CCCCC1	2247397908	IOAOODYNLRWERG-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H]1CCC12CCC2	2247426011	UCLKMIJAKQMFQL-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1CCC12CCC2	2247445039	CFBYFHRNVBDIAY-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@@H]1CCCC(C)(C)C1	2250354368	CMQGXABMDFJIDI-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1CCC[C@@H](C)C1	2250467633	UBZMLUSBTBCPGI-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@H]1CCCNC1	2250470020	VPCQVLUXDVDGBS-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNC1(C(C)C)CC1	2250490558	AWIZWJDDHLAGFU-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@]1(N)CC(C)(C)CCC1(C)C	2251667949	XKYUTEWRNVDMEV-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCCC(=O)CCC1CC(C)C1	2251758468	AZYSBFWVZMXISE-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)C1CC(N)(CC[C@@H]2CCCCC23CC3)C1	2253826808	WMLMMZQKFDIDTJ-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H]([C@H](N)CC2CC3(CCCC3)C2)C1	2254116861	WENMADAWMCRNJL-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C[C@@H]1CCC12CCC2	2255020240	YESSCRFTLOAKEU-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC[C@H]1CCC12CCC2)CC1CCCC1	2255030413	ZDRDJIPGPTWTPL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C1(C)CCC(C)CC1	2255096943	NRTSDPBQIFUTRX-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)c1cccc(CC2=CCCCC2)c1O	2255183419	GISIGGMAIKTFIA-CYBMUJFWSA-N	244.378	4.949	0	10	BJAE	
CC(C)(C[C@@H](N)CC[C@@H]1CCCC12CC2)C1CC1	2255291789	RVYAEYMSHPEHTA-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCC[C@H]1C(C)C	2256145074	UIGZWPOWBSNPLY-DZGCQCFKSA-N	249.373	4.625	0	10	BJAE	
C[C@@H](NC1CCCCCCCC1)[C@@H]1CC12CCC2	2256439687	NYQSYYNDRVVWJF-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNCC[C@H]1CC=CCC1	2257318926	GHQDVJPNDGQYLQ-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC(CC(=O)[C@]23CCC[C@H]2CC3)CC1	2260513056	RRAIWIBWMZRMNJ-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@@]23CCC[C@H]2CC3)CCC1	2260620529	PYWPXNZUIZNMBP-LZWOXQAQSA-N	249.442	4.501	0	10	BJAE	
CCCCSCC=CCSCCCC	2297531717	ABZBCKSJFJVAKK-UHFFFAOYSA-N	232.458	4.609	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CCC[C@@H](C)CC1	2300675112	BHXQIZLSTZCCNA-BMFZPTHFSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCCC[C@@H]1CC	2300683626	LQBZSPYJNDPELC-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
CC(=CC[C@@H](O)CC(C)(C)C)CCCC(C)C	2300870833	YTDHNPJZOOTCSR-OAHLLOKOSA-N	240.431	4.946	0	10	BJAE	
CC(=CC[C@@](C)(CO)C(C)C)CCCC(C)C	2300894181	DEWZSILZHYDVPW-INIZCTEOSA-N	240.431	4.804	0	10	BJAE	
CC(=CC[C@@](C)(N)C(C)(F)F)CCCC(C)C	2300900179	VONSNZZUXQSYGW-CYBMUJFWSA-N	247.373	4.522	0	10	BJAE	
C[C@H]1CCCCCCN1CC1CCCCCC1	2301146268	XCCDRWZWFPYWJQ-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
C[C@H]1[C@@H](C2(O)CCCCCCCC2)CC1(C)C	2302122685	HWRMNFZPQXZAFA-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(=O)CCCCC1CC1)CC(F)F	2302573581	GLIBXCLXUSLVRS-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CCC[C@@H]1C[C@@H]1C	2302614389	ATQXYNWOIKXHRC-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CCC(C)(C)C1	2302766802	ZMLFQHYUVCFSAV-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](O)CC2(C)CCCC2)C1	2302897889	BKCFLDRKPMGFIV-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C[C@H]1CCC(C)=C(C)C1)NCC	2303577224	HHYLTAQWXQUVNV-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC[C@H]2CCC(C)(C)C2)C1	2304421440	YBTYRBJYNJAOJZ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC[C@H]1CCC(C)(C)C1	2304433360	BESCYOASACPYTL-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)C1(C)CCC1	2307900888	WHPSJLNTLXWJQD-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC[C@@H](C)[C@H]1NCC	2307902602	LWDLPBVFIKCDFD-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
NC(CC1CC1)(C1CCCCC1)C1CCCCC1	2316416530	RELSQQJGJMGGQN-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1CCC2(CC1)CC2	2316883595	CLXJHTVJCVYXAY-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](C)CCC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317147602	DUNICDJGVXCSLA-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@H]1CC[C@H]1C	2317905642	XXZCGDNRJBHHHA-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCCCCc1cccc([C@@H](C)NCCC)c1	2318364221	KHOZLGRDSVZYSI-OAHLLOKOSA-N	247.426	4.870	0	10	BJAE	
CCC1([C@H](N)CC[C@@H]2CC[C@H]2C2CC2)CCCC1	2319732198	ZGZGWIWDTYIPRE-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](O)c2ccc(C)cc2)CC1	2320336049	FEEKJPHKQBLMTB-RDJZCZTQSA-N	244.378	4.555	0	10	BJAE	
CCCC1CCN(C[C@H]2CCC(C)=C(C)C2)CC1	2320388114	NBGGWHHMIUHVOU-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@@](CNC2CC2)([C@@H](C)C(C)C)CC1	2320398791	SQKVLBFLKFAGAH-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C[C@H](CC)CCC	2328273125	IBAFVJMPTIVOEY-PBHICJAKSA-N	248.410	4.889	0	10	BJAE	
CCCCC[C@H](N)c1ccc(CCCC)cc1	20481415	AWHXXPIMHOQWEE-INIZCTEOSA-N	233.399	4.609	0	10	BJAE	
CCN[C@@H](CC)c1ccc(C(C)C)cc1C(C)C	35548466	MFUUUSMEGUQLMC-KRWDZBQOSA-N	247.426	4.994	0	10	BJAE	
CCCN[C@@H](c1c(C)cc(C)cc1C)C(C)(C)C	35582089	IBYLOFCMRGHZFC-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
Cc1cc(-c2ccc(-c3ccccc3)cc2)co1	36405767	GCIZXFHISABINL-UHFFFAOYSA-N	234.298	4.922	0	10	BJAE	
CC(C)[C@H](Nc1ccccc1F)c1ccccc1	37211326	FECHJEBYKQTHMS-INIZCTEOSA-N	243.325	4.635	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)c1cc2ccccc2o1	62797774	SXIRGMGEOFKCLO-GXTWGEPZSA-N	245.366	4.520	0	10	BJAE	
CC(C)[C@@](C)(N)c1ccc(C2CCCCC2)cc1	71560237	KEYFTSSJXMLSSL-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccccc2Cl)[C@H](C)C1	82857374	UAVPQCYUPYAPMI-NQBHXWOUSA-N	237.774	4.577	0	10	BJAE	
CCN[C@@H](CC1CCC1)c1ccc(C(C)C)cc1	88134103	HXVJELXMJDPEOP-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](NC)C(C)(C)C)cc1	90483390	KXQSKEWMSFBHFC-OAHLLOKOSA-N	247.426	4.681	0	10	BJAE	
CCCC[C@@](CC)(CNCC(C)C)[C@@H](C)CC	94678140	KTFJOAUABYDIMP-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
Cc1cc(C)c(NC2[C@H](C)CCC[C@H]2C)c(C)c1	103980208	MCWNHLNZGSONOX-CHWSQXEVSA-N	245.410	4.848	0	10	BJAE	
CC/C=C\C[C@H](CC)c1cccc(F)c1F	107507218	AMTFLACXGUCXBV-GZTOBOFZSA-N	224.294	4.815	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@@H](C)c1ccc(C)cc1	109902057	STGMBWQVQBHKQZ-UKPHBRMFSA-N	247.426	4.860	0	10	BJAE	
CCC1CCC(N[C@@H](CC)C[C@H](C)CC)CC1	109928723	DFHWAAUGARLODX-CIDNJEQPSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H]1C[C@@H](C)c2ccc(C(C)(C)C)cc21	113613755	HRVHRJCFONRTHL-WBMJQRKESA-N	245.410	4.532	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CC[C@H](C)c2ccccc21	137049687	SLMXCFDKKSLECJ-ZQIUZPCESA-N	245.410	4.564	0	10	BJAE	
C[C@H](C[C@H](O)c1cc2ccccc2o1)C(C)(C)C	159228201	UBLAPCWWGQMULM-YPMHNXCESA-N	246.350	4.539	0	10	BJAE	
CCCc1ccc([C@H](O)CC2=CCCCC2)cc1	161047149	OOWXYWDVWIKXIX-QGZVFWFLSA-N	244.378	4.563	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](N)CC1CCCCC1	226821965	PTMIDMPRMAIZQL-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(=O)CCCC(C)C)cc1Cl	229452886	NLRITUXHIQPLEJ-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](Nc2ccsc2)C1	230772936	LLSURUWLMRLLKQ-QWHCGFSZSA-N	237.412	4.765	0	10	BJAE	
CCCCCC[C@H](NCC)c1ccoc1Cl	232954370	XLSWTJOWRDPCOP-LBPRGKRZSA-N	243.778	4.554	0	10	BJAE	
CCC[C@@H](C)C(=O)CC12CC3CC(CC(C3)C1)C2	233268626	AWIJZDNKEZMCCF-JISDDCRVSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C)Oc1cc(C(C)C)ccc1C	233340134	UXJMBBSVROGYIQ-ZDUSSCGKSA-N	220.356	4.686	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)[C@@H]1CCCC[C@H]1CC	250418386	LIKUGBCDHYUHSV-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCC[C@H](C)CC1	251638406	FVMZMKXUFLMJOP-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CCC[C@H]3C[C@@H]32)cc1	306111086	UHOHSPVKKKRLBY-BHYGNILZSA-N	243.394	4.630	0	10	BJAE	
CSc1cc(C)cc2c(Cl)csc12	306777932	NXOFVYYIAZWQHD-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1csc2cc(Cl)cc(SC)c12	307238989	FWXHDVJMTZFECE-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H](CC)CC(C)C	308049574	FORQYGOQJPQCBJ-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC/C=C/CC[C@H](C)c1ccc(C)cc1O	309058913	LPIMSHLHHAJDKG-GFUIURDCSA-N	218.340	4.551	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC1(C)CCCC1	309408029	VFQKXEFMTSALFJ-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C1CCCCCC1)C1CC1	310239943	SQAORCJGBNVJIW-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CCCCCCN[C@H]1CCCCC12CCCC2	310250049	KGDXPIXPTSHVOG-HNNXBMFYSA-N	237.431	4.659	0	10	BJAE	
CC[C@@H](Nc1cccc(F)c1)c1cccc(C)c1	310611133	CODLWZXPYGAWIE-MRXNPFEDSA-N	243.325	4.697	0	10	BJAE	
Cc1ccc(F)cc1C(=O)C[C@H]1CCC[C@@H](C)C1	310963901	HBCCJPGTPPUVLF-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
CCc1ccc(C(=O)C[C@H]2CCC[C@@H](C)C2)cc1	310980083	JOUNJTZWSJANQN-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](CCC)[C@H](CCC)C1CCCC1	313450079	PSTHBIAHBNWQIS-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)CCC[C@H](C(C)C)CC1	319608994	MBUGEXMPDZUBJM-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)c1cc(C)cs1	383182168	KHJBGPCPNYUYOT-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)C1(C)CCCC1	383607191	RTEKYSRYFQCSTR-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(C)(C)CNCC1(CC)CCC1	383771884	GREIXQYQQLELBD-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C[C@H](C[C@@]1(O)CCCCC1(C)C)c1ccccc1	384340804	XLFWLJATTNKVID-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
CCC[C@@]1(CCC2=CCCCC2)CCCCCN1	385219509	RKDILVMFXAKFJS-KRWDZBQOSA-N	249.442	4.970	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCC12CCC2	394802563	FYWSVCUTRRGJBB-OAHLLOKOSA-N	243.394	4.692	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC12CCC2)C1CCCCC1	394869587	RKUWIZIAXLDDRG-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCCC1([C@H](CCCC2CCC2)NCC)CC1	688359124	QBPVUEYUKHXJRG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)CC1CCCCC1	692002092	WNYZTPDAFQEDFL-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC([C@H](CC(C)(C)CC)NC)CC1	696248100	HNGAUKYJBKFHAW-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@]1(O)CCC[C@@H](CC(C)C)C1	697598056	HTQUGHRCWHFRRZ-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
C[C@H](C[C@H]1CCCC[C@@]1(C)O)C1CCCCC1	699659956	KCBGMNKLGUFVHC-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)CCC1=CCCCC1	699810719	KEXACEDGSDWCGG-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)[C@H]1CCCCC1(C)C	701253059	NWHTWSMXGVBTFP-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@]1(C)CN[C@H]1CCCC12CCCCC2	702009027	YFEFYPADNAFBEW-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)CCC(C)(C)C	704460343	NVINCIPUFJOBTL-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)[C@@H](C)CC(C)C)c1C	704735239	MYGKOEZQYANWTA-GUYCJALGSA-N	247.426	4.602	0	10	BJAE	
CCC[C@](N)([C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)(C)C	704917537	ZMYZETUCMNJWGP-NHIYQJMISA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](N)(C1CCCCCC1)C1CCCC1	704954045	CGFLIKXJAOHSPM-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(O)CCC[C@@H](C)[C@H]1C	709255601	ARMLWGQEJAFGKQ-IXYNUQLISA-N	240.431	4.636	0	10	BJAE	
CNC(C[C@@H](C)C(C)(C)C)C[C@@H](C)C(C)(C)C	711156537	HMXVPXVBZOIQFH-CHWSQXEVSA-N	241.463	4.719	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@@H]1CCCCC1(C)C	713132787	KNGRCBKMJARUCF-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)[C@H]1CCCCC1(C)C	713248505	FRSLOZUTOYZIIE-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C/CC[C@H](C[C@@H](C)CC(C)(C)C)NC	713684204	NGVFJPXBNKTOSC-VMFRVMOISA-N	237.431	4.559	0	10	BJAE	
C=C/C=C\CC[C@]1(CNCC(C)C)CCC[C@H]1C	713745105	JXYZJXCKZFOWOZ-TZNMXKOXSA-N	249.442	4.561	0	10	BJAE	
C/C=C/[C@@H](C)Cc1cc(Cl)cc(Cl)c1	714558129	CDDAGCVBKMRPBI-CDAZIORVSA-N	229.150	4.748	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCC(C)=C(C)C	718575179	XPFCBVITVNSLEH-GJZGRUSLSA-N	225.420	4.667	0	10	BJAE	
C[C@H](C[C@]1(CN)CCC=CCCC1)C(C)(C)C	719016735	AVTULUHXIPINPM-ZBFHGGJFSA-N	237.431	4.524	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@H]2CCC[C@@H]21	722078893	PIKMQMROYAIKEK-OWCLPIDISA-N	243.394	4.548	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@@]12CCCC[C@H]1C2	822083055	UIONDJRMTNONJA-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(CSCc2ccccc2)cc1F	1656186788	ICLSRIUEPBHAAD-UHFFFAOYSA-N	246.350	4.568	0	10	BJAE	
CC(C)CCCc1csc(C(F)F)c1	1889470763	ZJVLIQFLPHCMGR-UHFFFAOYSA-N	218.312	4.664	0	10	BJAE	
CC(C)CCCc1ccc(C2CC2)s1	1889493824	LKZXMAIWQZGFRU-UHFFFAOYSA-N	208.370	4.604	0	10	BJAE	
CCC(CC)CC[C@@H]1CC(=O)CC(C)(C)C1	1900694224	WUHBXSHURXJKEL-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC=C(C)CC	1900847024	CJOLMARPGDLABA-OAHLLOKOSA-N	225.420	4.633	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCC[C@H](CC)C1	1900872168	UTTUZKRZMDXUFV-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](C)c1nc([C@@H]2CC2(F)F)cs1	1904863248	RFQBQZXWTWHBHI-IUCAKERBSA-N	245.338	4.559	0	10	BJAE	
CCCCCC[C@@H](C[C@@H](CC)CCC)NC	1905436057	WOZKGDKHZDQRAP-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CNc1cccc2ccsc12	1910728735	DMWDVDVAPIDVNP-STQMWFEESA-N	245.391	4.605	0	10	BJAE	
C=CC=CCCC[C@H]1CCCC(F)(F)C1	1911784831	WLNKBQNKKRTLCW-LBPRGKRZSA-N	214.299	4.724	0	10	BJAE	
CCCNCC(=C[C@@H](C)C1CCCCC1)CC	1911958104	CJICJOBGLBKSGM-CQSZACIVSA-N	237.431	4.539	0	10	BJAE	
N[C@H](CCC1CCCC1)C1CC2(CCCCC2)C1	1912643702	BSBLPHLQEBPYAA-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1CCC2(CCCCC2)C1	1915855264	PATNYPUZHZAQQM-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC3(CCCC3)C2)cc1	1916403000	UVJPWMMONCJOMB-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CCC(F)(F)C1	1919973731	JCNXJXLVBBVYOC-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@H](C)C2CCCCC2)C1	1924097959	DTOWKJYTJBMAHH-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2C=CCCCC2)cc1	1925807765	RFTVVWOGWURJQQ-OAHLLOKOSA-N	244.378	4.935	0	10	BJAE	
CCC(CC)CCN[C@@H](c1ccccc1)C1CC1	1926174260	IJCZKDNZQHFVPB-KRWDZBQOSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CC(CC)CC	1926355207	OSLMUDFKAOYVCY-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
CC1(C)C[C@H]1CCCOc1ccc(Cl)cc1	1935936970	MTSYXLFQXWDTMF-LLVKDONJSA-N	238.758	4.545	0	10	BJAE	
CC1(C)C[C@H]1CCCNc1ccccc1Cl	1935938288	XBBSPHKKOQPSOQ-LLVKDONJSA-N	237.774	4.578	0	10	BJAE	
CCCc1csc(C2C[C@@H](C)C[C@H](C)C2)n1	1937457895	MDGHPOCAQQMXGQ-QWRGUYRKSA-N	237.412	4.635	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)C(C(C)C)C(C)C	1940255203	FHBZXEGHYCVACA-KBPBESRZSA-N	241.463	4.717	0	10	BJAE	
CC(C)NC[C@@H](C)[C@H](C)CC1(C)CCCCC1	1940411616	XLBCGEIMNJVFEY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)CC[C@H]1CC1(C)C	1940852983	KDBRKBXVFZZJLT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CCC[C@H]1CC1(C)C	1940881059	KQBMJSHRZHEZIM-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
CC1(CC(=O)C2CCC(C(C)(C)C)CC2)CC1	1941160313	ZOPWBKISDGGFFO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](NCC)[C@H](CC(C)C)C(C)C	1941268049	ZZSQFNXNZLFWKC-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@H](CC)C(C)C	1941268141	BJUIIQAPDIIIDL-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(CCCCCC2CC2)C1	1941580809	DLWLSAQQKPOCBF-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CC(C)(C)CC[C@@H]1C	1942657657	OAXGAMDKDARLPT-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCCNCC(CC)(CC)C[C@H]1CCC[C@H]1C	1944848736	HHVMECJSRQVCFA-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@@H]1CCC1(C)C	1945753254	WSIVFDWBSPFMGC-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(O)CCC1CCCCC1	1947514689	HIAUZYFIIBXDCL-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)C[C@H]2C=CCCC2)c1	1947569291	JSIGFMGDRJUORG-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
CCCN[C@@H](CCC[C@H]1C=CCCC1)C(C)C	1947586398	MLUMCPMOSJDZCW-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCCC12CCC2	1947895548	GIHYLOCCPHXUNE-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCCC12CCC2)C(C)(C)C	1947897027	VVURRBZXWMPYLM-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)[C@H](C)C1CCCCC1	1949082295	FANYKYUHHXJJIK-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)C1(CC)CCC1	1951243326	GIGAUDNXGWPIGG-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@H](N[C@@H]2CCCCC23CC3)CC(C)(C)C1	1972725134	KBXMSTADUPJQCO-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1N[C@H]1CCCCC12CCC2	1972821088	ZESNSOQOYZEYNU-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CNc1ccccc1C1(C)CC1)C(C)(C)C	1973423561	UZLDPAGTVAZPHE-CYBMUJFWSA-N	245.410	4.832	0	10	BJAE	
CCC(C)(C)CCC(=O)C(CC)(CC)CC	1978455747	NSPSMRFOTGZAPN-UHFFFAOYSA-N	226.404	4.988	0	10	BJAE	
CCC(C)(C)CC[C@H]1CC[C@H](C)CCC1=O	1984461836	HXXQZFUFODCKMV-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC1(CCC)CCC1	1988456624	DISIBPUIIPIDMG-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)c1cccc(CC2=CCCC2)c1	1994228568	QPUNHJFJUVHGNK-UHFFFAOYSA-N	214.352	4.637	0	10	BJAE	
CCCC1(c2nc(C[C@@H](C)CC)cs2)CC1	1995446078	ZHIMKERHTZZBLD-NSHDSACASA-N	237.412	4.563	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CC[C@H](C)C1)NCC	1996248685	XPCAOHLBKDYNQO-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](NCCC(C)C)C1CCC(C)(C)CC1	1996594352	LOHLYHJBTZHTFT-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)c1cccc2sccc12	1996603523	UDFHMQFQOQCJPU-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
C[C@H](CN[C@H](C)CC1=CCCCC1)C(C)(C)C	1998381431	WLCMWMBVCCCCIC-ZIAGYGMSSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)([C@@H]2CCCC(C)(C)C2)C1	2000062658	NTTJOPCZWYEAFE-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2(C)CCCCC2)C1	2000100000	RWXVAUBNXIMSKH-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](CC)(CNCC)CC1CC=CC1	2000512987	SNXJFYNAZDOLNX-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC[C@](C)(CCC=C(C)C)CNC(C)(C)C	2000517026	ZBTPGTMKSRCJAF-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CC[C@@H](C(=O)C[C@@H]1CC12CCCCC2)C(C)C	2001253861	KJFAKMGDEUQPMW-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)C[C@]1(N)CCCCC12CCCCC2	2001572796	NUSOBEFDONBVBS-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CCCCCC[C@@H]2O)C1	2003101447	WUQYAZUBRIDEDK-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@H](N)CCC[C@@H]2CC2(C)C)CCCC1	2003178251	ACSHVZSTZXWTAR-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1CCCC2(CC2)C1	2003295033	XBMPADYBALEEFS-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)CNC[C@H]1C=CCCCC1	2004716605	ATYRBVMAOAGKSU-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
C[C@H](CN(C)[C@H](C)C1(C)CCC1)CC(C)(C)C	2004814179	FWBTTWMMLIJAJK-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCN[C@H](CC1CC1)C1(C)CCCCCCC1	2004923167	NUWNVIGNOANYTQ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCC[C@H]1F)CC(C)(C)C	2006738639	KZSGSJODPMLKJW-JHJVBQTASA-N	242.378	4.546	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CCCC(F)(F)CC1	2009568588	FPNQPMYAWLDGRI-JDGPPOGSSA-N	244.325	4.518	0	10	BJAE	
CCCCC1CC(N)(CCC[C@@H]2CC2(C)C)C1	2009790419	WHAHKYTZMBXEGP-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](N)C1=CC[C@H](C(C)C)CC1	2010768683	KNKVKXFHXMGFPG-ZFWWWQNUSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cc(C)ccc1C	2013264127	KTQHZWBKGGIWQA-HNNXBMFYSA-N	233.399	4.930	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@H]1CCC2(CC2)C1	2013266968	MLFMRJOTALWDNV-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
Cc1c(F)cc(NCCCC(C)(C)C)cc1F	2013714320	HXMDHOYYANEPFA-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
CC=C=CCCN[C@H](CC)c1ccc(Cl)cc1	2014187329	HENGFSUUDLGGTB-KZXRREANSA-N	249.785	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(O)C1(C)CCCC1	2014323648	CITVPBIKDJHMNQ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H](C)C1(C)CCCC1	2014341350	YOKCRPLSXIFEPO-CABCVRRESA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@@H](C)CC1(O)CC(CC(C)(C)C)C1	2014669836	VGVWICHCSXKVGQ-VQCLRJIVSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@@H](N)CCC1CCC1)C(C)C	2015345519	SPVHRVKJOYYQOI-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CCNCCC=C(C)CCC(C(C)C)C(C)C	2015358786	SMMLGCMRJNZLSP-UHFFFAOYSA-N	239.447	4.641	0	10	BJAE	
CCCC1(CN(C)CC(C)(CC)CC)CCC1	2015589624	XOTNOUIJPGZXJJ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCCC1(C[C@@](O)(CCC)C(C)(C)C)CCC1	2015634725	LDRZZIBHWLIVQU-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)(CNCC(C)C)CC(C)=C(C)C	2017461399	JUPMWXDYMIAEPS-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CCN[C@H](C[C@@H](CC)C(C)(C)C)C(C)=C(C)C	2017472415	JUXVTVJIEYCZRV-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CC(C)=C(C)[C@]1(O)CCC[C@@H](C(C)(C)C)CC1	2017485179	QQOZCUXVGAVOMF-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCC1CCC(C[C@@](C)(O)CCC(C)C)CC1	2017647433	FOQCEQNTXXQAOJ-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC2CCCCC2)CC1	2017659106	RXFUBMCPVQWEOS-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@@H](C)CC(C)C)CC1	2017722266	FCBUSRBISVBEBP-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@@H](C)CCC1CCC(CC)CC1	2017738499	VDZFSSNWUQVHEZ-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCCCC2(C)C)CC1	2018926703	ZPRNLCUYDQIDRA-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC1(CC(=O)C2(C)C(C)(C)C2(C)C)CC1	2018942390	UZUKKFGFHZONJT-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CN(C)C1CC(C(C)C)C1	2019191677	HMXJLILSHGGHIL-FHERZECASA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](CC)CN(C)C1CC(C)(CC)C1	2019197045	WASBKDUQDSFJCL-QQFBHYJXSA-N	239.447	4.713	0	10	BJAE	
CCSc1cccc(N[C@@H]2CCC3(CC3)C2)c1	2021770291	DGLIWFZQIUSHGZ-CYBMUJFWSA-N	247.407	4.543	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)CCC1CCCCC1	2022556682	IBDGDXYEBZSDBH-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCCC(=O)CCCC(C)(F)F	2023302084	OJLOYNAOTDZFOU-UHFFFAOYSA-N	248.357	4.988	0	10	BJAE	
Fc1cc2occ(C3CCCC3)c2c(F)c1F	2026606775	HOJIYYJMFAOTPC-UHFFFAOYSA-N	240.224	4.508	0	10	BJAE	
CC1(CCCN[C@H](C2CCCC2)C2CCC2)CC1	2027830973	KPJWDKYSUBHAME-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](NC)c1cccc(C(C)C)c1	2028254130	DENIWLGYPPGOQJ-DLBZAZTESA-N	247.426	4.753	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)c1cccc(C2CC2)c1	2028552054	LYEDHUACTVUFPP-BLLLJJGKSA-N	246.394	4.670	0	10	BJAE	
C[C@H](CC(=O)c1ccccc1C1CC1)C(C)(C)C	2028576774	KJJSFZKLNTXXFT-GFCCVEGCSA-N	244.378	4.819	0	10	BJAE	
Cc1cccc([C@](C)(N)CCCCCC2CC2)c1	2028636440	IQCFTJLFXPEFKN-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
N[C@@]1(CCCCCC2CC2)CCCC12CCCC2	2028642700	CQSZLKKTJXCIJR-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1C1=CCCCCC1	2028751164	PYZUDQMLTFYEMV-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccccc1CC(C)C	2028932128	ZTJNTCYRIGDCFW-INIZCTEOSA-N	248.410	4.745	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C1(C)CC(C)C1	2029106588	BWXKMRBFGWBTFJ-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
CC(=CC1C[C@@H](C)C[C@H](C)C1)C1CCC(N)CC1	2031802350	WDWURVYOCQLGJQ-SCQRFTTHSA-N	249.442	4.523	0	10	BJAE	
O=C(CCCC1CCC1)[C@]12CCCC[C@@H]1CCC2	2031854957	JIGYSTDOVMZGEU-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCCC12CCCC2	2035402238	CAIKMVICLQGKGL-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
C1=C[C@H](COc2cccc3ccccc23)CCC1	2035555158	LEGQPFBAGMWSCT-AWEZNQCLSA-N	238.330	4.575	0	10	BJAE	
CCCc1ccccc1[C@@](C)(O)[C@H](C)CC(C)C	2036383680	PFLWOVTTZHDCSD-PBHICJAKSA-N	248.410	4.529	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@H](NCCCCC1CC1)C2	2036662462	WUPFUTCBUYCVDM-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)CC1CC2(CC2)C1	2036758950	TUSPMNRDMVNPHP-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@](N)(CC1CC2(CCC2)C1)C1CC1	2038078646	MWPHXFVTLFNGHN-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)ccc1C(=O)[C@@H]1CCC[C@@H](C)CC1	2039379028	ZASDVNDXENOZBT-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
C[C@@](N)(C1=CCCCCCC1)C12CCC(CC1)C2	2039849932	PGMYORPUSPHRCS-ARWYELJZSA-N	247.426	4.565	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1ccc(C2CCC2)cc1	2040723615	MAZKOGSZBHWCEL-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H](C)c2ccccc2)CC1	2041383591	OXPZQWWODBBQRD-BZUAXINKSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CC1)[C@]1(C)CC=CCC1	2042020706	ZRMNUEJFJPOXTB-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)C1(C)CC=CC1	2042025987	ZZRBIJJITLUPBV-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](N2CCC3(CCCCC3)CC2)C1	2046578825	INTBYVBFSYMJCM-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@@H]1CC12CCCCC2	2047063900	ZXSWMHFKODZVDG-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
O=C(CC1CCC=CCC1)C[C@@H]1CCC12CCC2	2047933008	QNHHEOUASJVWMB-HNNXBMFYSA-N	246.394	4.662	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC2CC2)CCC12CCC2	2047946318	GUSXJKNPMRUEKQ-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)[C@H]1CCCC(C)(C)C1	2049498454	LJTAPEWYSHWXPV-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
Cc1cc(N[C@H](C)[C@@H]2CCC[C@H](C)C2)ccc1F	2049539033	DMPBOAOKRGKGHN-IACUBPJLSA-N	249.373	4.761	0	10	BJAE	
C1CCCCC(NC[C@H]2C[C@H]3CC[C@H]2C3)CCC1	2049671989	IUXCLWJHQMLREW-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(Nc2ccc(F)c(C)c2)CC1	2051591389	WWIAKLGLKIIMNF-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CCCC[C@@H]1C1CCCC1	2051672629	VFWMVPTUUYROGR-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H]2CCCC(C)=C2C)C1	2055550925	VODVWNGRKVNRII-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
FCc1ccc(N[C@H]2CCC[C@H](C3CC3)C2)cc1	2055677748	KIFUDDKDFWRPOM-HOCLYGCPSA-N	247.357	4.537	0	10	BJAE	
C/C=C/C[C@]1(CNC(C)C)CCCCC12CCC2	2057059884	IBKDVSXMJULRAS-LAQIPUCWSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@H]2CC23CCCCC3)CC1	2059004755	ZKCPFIRHUUZFFO-ZNMIVQPWSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCCC1(N)CCC2(CCCCC2)CC1	2059198744	QSFKTWHAOKQNSP-NSCUHMNNSA-N	249.442	4.955	0	10	BJAE	
C/C=C/CCC[C@H](O)[C@@H](c1ccccc1)C(C)C	2059224586	CILAGEVQHBPOOS-XPQDNOAISA-N	246.394	4.534	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@]1(C)C=CCCC1	2059249789	KQKBKHYODAQMNI-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H]1CCCC12CC2	2059255948	LKPVBYDJAOCLNB-BYQDXSGLSA-N	249.442	4.681	0	10	BJAE	
O=C(CC[C@@]12CCC[C@@H]1C2)C1CCCCCCC1	2061605828	IFZHVLYNLMUELT-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](CC1CC(=C2CC2)C1)CC(C)(C)C	2061725927	KFCSPCFLYYZVLX-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1CC(=C2CC2)C1)[C@H](C)CCC	2061726716	SYDZJYBJLGILGH-DYVFJYSZSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CC1CCCCC1)CC1CC(=C2CCC2)C1	2061728281	IJOZQXKPTLQBFI-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)CC1CC(=C2CCC2)C1	2061736356	FVGMDANDDODICT-UKRRQHHQSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCCC[C@H]1C[C@H]1C	2062618225	DLORSWXPJZIWGY-ZBFHGGJFSA-N	246.394	4.933	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C1CC2(CCCCC2)C1	2062629851	IDOVGGURDVFHRZ-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)[C@@H](Nc2cccc(C(C)C)n2)CCC1	2066360295	YTOGNZQFWGGPKS-HNNXBMFYSA-N	244.382	4.506	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@@]1(N)CCCC2(CCCCC2)C1	2070977937	URBLEWXFDUZSOO-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C[C@H]1CC[C@H](C)CC1)C(=O)c1ccccc1	2072875137	KTXKVXXNXUKRGM-RBSFLKMASA-N	244.378	4.722	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@@H](C)c1ccccc1	2074789329	FFEJHZWTXSWOLB-HNNXBMFYSA-N	247.426	4.894	0	10	BJAE	
C[C@H]1C[C@H](C[C@H]2C[C@](C)(F)C2)Nc2ccccc21	2077716486	IWRPFJOKOGCUTF-JFILPPLUSA-N	247.357	4.503	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C[C@H]2CC[C@H]1C21CC1	2078341357	YHMVDHKHZGMENU-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
NC1(C[C@@H]2C[C@H]2C2CCC2)CCCCCCCC1	2079444839	DBXAOLZUOFRTJZ-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN[C@H]1CCCC12CCCCC2	2079452133	VVUHLYBCUIVJKD-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2C[C@H]2C2CCCC2)c1	2079640099	LDZWESWSMAZYHS-CVEARBPZSA-N	243.394	4.542	0	10	BJAE	
CC(C)c1c(C2CCC2)nn(C(C)C)c1Cl	2079741038	CEBVRXUEWUVJAI-UHFFFAOYSA-N	240.778	4.508	0	10	BJAE	
CCCC1CCC(CN(C)CC=C2CCC2)CC1	2081803791	CSZAXERQYGVFRH-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
C[C@H](C(=O)CC1C2(CCC2)C12CCC2)C(C)(C)C	2083534231	WJCXNDZVZJBXOJ-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H]2CCCNC23CCCCC3)C1	2083812473	OWHHSHMLYJYHHL-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CCCCC1CC1	2211121641	IHEPHXVLUGBLKX-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2213279575	IJYHVHQOBXIHIK-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@@H]2C[C@@H]2C)CC1	2215326301	XRKFAUUEQYRMMN-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCOc1ccccc1C(C)C	2215346112	ODYUOELPHPCMCN-KGLIPLIRSA-N	232.367	4.625	0	10	BJAE	
CCC[C@@](O)(CC1(C)CC(C)(C)C1)C(C)(C)C	2215381146	AMTJOTRJMSYKKO-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC1(C)CC(C)(C)C1	2215390272	YZIJFKYVXMUMJL-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(C[C@@H](C)CN[C@@H](C)CC)CC1	2217147737	MDAFDGZWKKACPR-QVOMUQBLSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC1(CN[C@@H](C)CC)CC(C)C1	2217152121	BFGRROJGNUJVSS-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
C[C@](N)(CC1C[C@H]2CCC[C@H](C1)C2)C1CCCC1	2218328531	UVPPXLJZYCIQAE-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1CCC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218351791	ZKISIRJZWQKHRH-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C/C=C/c1ccccc1)[C@@H](C)CC	2219081122	MAAUBQRUVGKFOJ-FMUPAYBXSA-N	245.410	4.504	0	10	BJAE	
N[C@H](CC[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2220299794	CJYYZGLQFJSOKK-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](CN)(C[C@@H](C)C2CCCCC2)CC1	2221652553	DDTLHSFOTDPHBE-NVXWUHKLSA-N	249.442	4.668	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](NC2CCC=CCC2)C1	2222271302	YRLGIJKYJAHGBN-GOEBONIOSA-N	249.442	4.680	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CCN[C@H]2CC[C@@H]21	2223158230	HNDVPTZZLSQFEY-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@@H]1CCC[C@@H]1C)N2	2224128409	UMWQDDQKVVFTJG-OFQRWUPVSA-N	243.394	4.548	0	10	BJAE	
CCCCN(CCCC[C@@H]1C[C@H]1C)[C@@H](C)CC	2247159740	PBNQVPFAIJWCAE-OWCLPIDISA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1(N)CCCCCCC1	2247173002	BWZVOPSCWYXVOO-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@H]1CCC12CCC2	2247312212	FMNZEGJFNLSSAL-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)[C@H](CC1=CCCCC1)C(C)C	2247527934	QJSKSPZIJSGOBZ-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](C[C@H]1CCCC12CC2)NCC	2247606506	PDEXPECOSRUUSA-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C1(C)CCCC1	2248805704	CHIVYILLTWRCNY-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CCCCC[C@H]1C[C@@H]1C	2248868417	BCVKURBKGJSGPV-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@@H](C)C1CCCCC1	2250372348	PFJHTVDXEFWCBC-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CCCC=CCNCC[C@H](C)CCCC(C)C	2250493419	MXTMPZJLTRAFLW-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCC[C@@H]1CN	2250513533	HSEHJSWCRCXWAK-GDBMZVCRSA-N	237.431	4.524	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@H](C)C1CC1	2250531463	YCNNXVBXANTSSX-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCN(CCCC1CCC1)CC(C)C	2252639620	IZMMACXLLMQHOJ-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
O=C(CCC1CCC1)CC[C@H]1CCCCC12CC2	2253793451	MZWMZGQJMHZJNV-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](CCCC[C@@H]1C[C@@H]1C)[C@@]1(C)C=CCCC1	2254536652	SADKUCYVOFBYFZ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC=C1CCC(C)(C)C[C@@H]1CN	2254545541	UJJWIUJNKQKCQB-VNQPRFMTSA-N	249.442	4.524	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	2254603950	FUXRQQUIXNLLRB-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC1(C(=O)CC[C@@H]2CCCC23CC3)CC1	2255312487	GTOQUDRQLWQQHO-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(OCCCCC[C@H]2C[C@H]2C)c(C)c1	2257246120	DLOJQWRYPDGYJR-ZBFHGGJFSA-N	246.394	4.899	0	10	BJAE	
CC(C)Cc1coc2cc(OC(C)(C)C)ccc12	2257986656	RUAZHCQOUXYTMH-UHFFFAOYSA-N	246.350	4.809	0	10	BJAE	
Cc1cc(NC[C@@H]2CCC3(CC3)C2)cc(C)c1C	2258233706	QWVDSJURNCYHQG-OAHLLOKOSA-N	243.394	4.604	0	10	BJAE	
CC1CC2(C1)CC([C@H](N)CCCCCC1CC1)C2	2259584873	APORIFLPUREYJY-XOJNLIDHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@@H](C)CC1CC1	2298850620	IPZRBKJYLYHUSQ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(C)c(CC)c1	2299660844	QSSUEOGNKAQGBE-INIZCTEOSA-N	234.383	4.561	0	10	BJAE	
CC[C@H](CC(F)F)C[C@@](C)(N)CCCC(C)C	2300504836	FVFRDXYSOICBQQ-OCCSQVGLSA-N	249.389	4.602	0	10	BJAE	
CCCNC[C@](C)(CCC(CC)CC)C(C)C	2300676586	QGSXHGPWYJAGPO-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CCCCC1(C)C	2300685601	HGRYCXGLUBCMMQ-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCC(=O)C[C@@H]1CCC[C@H]2C[C@@H]12	2300699954	IXBLVCUEUNTTCD-DZKIICNBSA-N	236.399	4.598	0	10	BJAE	
CCC(C)=CCN(C)[C@H]1CCC[C@H](CC)CC1	2300881413	SBOSPLVKKISLIK-HOTGVXAUSA-N	237.431	4.633	0	10	BJAE	
CCC(C)=CC[C@@H](C[C@@H](C)CC(C)(C)C)NC	2300909145	KZOOQUAEHUBJGQ-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCC(C)=CCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1N	2300909598	PSYWOJHLHPPFIA-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
CC(=CC[C@]1(O)CCC=C1C)CCCC(C)C	2300911324	IUNRUXHYIYWUMV-MRXNPFEDSA-N	236.399	4.620	0	10	BJAE	
C[C@H]1C[C@H](C)C1Nc1cc(C2CC2)ccc1Cl	2300941304	CASOWOIFCSULQH-UWVGGRQHSA-N	249.785	4.674	0	10	BJAE	
C=CC=CCCCc1ccc(F)cc1C1CC1	2301289448	UAHUXELOJRQFSF-UHFFFAOYSA-N	230.326	4.768	0	10	BJAE	
CC(C)C(CCN[C@@H](C)[C@H](C)C(C)C)C(C)C	2301711565	SXLQTMJJHYWFSW-CABCVRRESA-N	241.463	4.575	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@](C)(N)CC1CCCCC1	2301845143	WEVGNYZPFDXFCZ-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H]([C@@H](C)[C@@H](C)C(C)C)C(C)(C)C(C)C	2301865936	BSGSBJUVGRWVHY-SOUVJXGZSA-N	241.463	4.575	0	10	BJAE	
CC[C@@H](Nc1cc(F)ccc1C(C)C)C(C)C	2301913088	OMEACQBLMYWAFB-CQSZACIVSA-N	237.362	4.796	0	10	BJAE	
CCC[C@H](CNCC(C)C)[C@H](C)[C@H](C)C(C)C	2301959738	WERJCVLQOUMYHJ-BZUAXINKSA-N	241.463	4.577	0	10	BJAE	
CC(C)C(CC=CC1(N)CCCCC1)C(C)C	2302644606	RNAAXLGZWDSTFU-UHFFFAOYSA-N	237.431	4.523	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CC(C)(C)CC2=O)CC1	2303522464	LIVNXWAIRZTXEJ-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H](C)c2sccc2C)CC1	2303594048	BUSABQNVIPPUNU-UONOGXRCSA-N	249.423	4.596	0	10	BJAE	
CC(C)c1cccc(NCCC2(C)CC2)c1F	2307558865	GLRNULXYFQWOQE-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H]3C[C@H]23)CC1	2308437674	HPAKKLYNXBJSLJ-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1C)C1=CCC(C)(C)CC1	2310971613	LLHHQNBNFMXZOF-KBMXLJTQSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@H](N)C[C@H]1CC[C@H](C)CC1	2311020730	JMSFORJJQLKGBD-LMHBHQSJSA-N	249.442	4.523	0	10	BJAE	
CC1(CC[C@@H](N)C[C@@H]2C[C@H]2C2CCCCC2)CC1	2311586863	RNBXRUTZOGQAAK-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C(CC2CC2)CC2CC2)CC1	2313605954	JWJDBWBLDPCFFV-LRDDRELGSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@@H]2CC[C@@H]21	2317922124	FZVRWRJUPSBTHF-TUKIKUTGSA-N	247.357	4.550	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)CCCC2=CCCCC2)C1	2318579848	IXAKQFMMAXNDFO-WBVHZDCISA-N	249.442	4.778	0	10	BJAE	
NC1(CC[C@@H]2C[C@@H]2C2CCCCC2)CCCCC1	2318867132	OVAPYNNTHVFJMK-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
O=C(CCCCC1CC1)C[C@H]1CCCC2(CC2)C1	2318872426	BNMDBMHOUADJNM-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)C[C@@H]1CCC(C)(C)C1	2319122343	SWLFQRMMJLOKRA-JONQDZQNSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)CC2CC3(CCC3)C2)C1	2319145150	LZSRRFAIQQSQBZ-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@@H](CNCC2CCC(C)CC2)CC1	2320268674	RWZJMDGIFHXKOO-IMRCBTMISA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCCN(C[C@@H]2CCC(C)=C(C)C2)CC1	2320390433	KAVZGEMXVLMYQG-DLBZAZTESA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)C2CCCCCC2)CC1	2320401675	KZYPJOLMFZUVJZ-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1cccc(C(C)C)c1	2320512514	AJRSNLNAPOAURQ-KRWDZBQOSA-N	246.394	4.980	0	10	BJAE	
CCN[C@@H](CC1CC1)c1cc(C)ccc1C(C)C	2327677945	OQEFCCBAQYXFAU-KRWDZBQOSA-N	245.410	4.569	0	10	BJAE	
CCC[C@@H](CC)C[C@@](N)(CCC)c1ccccc1	2328281160	FWSGATSBPRYXJZ-WBVHZDCISA-N	247.426	4.857	0	10	BJAE	
CCC(C)(C)C1CCC(N[C@H](C)C(C)C)CC1	20306188	NQOIAXFEBFNQOK-WLYUNCDWSA-N	239.447	4.616	0	10	BJAE	
CCCCCCNCCCCCCC(C)C	20361340	VJCKBQQEELXLMK-UHFFFAOYSA-N	227.436	4.763	0	10	BJAE	
CCOc1ccc(N[C@H](CC)C[C@H](C)CC)cc1	20551426	MKHOOMIAYKVTQC-ZIAGYGMSSA-N	249.398	4.712	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1	20558278	VADCFTVTIYEFOT-UAGQMJEPSA-N	245.410	4.868	0	10	BJAE	
CCCCCCN[C@H]1C[C@H](C)CC[C@@H]1C(C)C	20565230	VWGCDZLYXPUMPG-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccccc1F	21810163	IXWCUXWJSGNYJU-IOASZLSFSA-N	249.373	4.698	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)(C)C)cc1)C(C)(C)C	35548268	RHAZZALYBFMUOT-HNNXBMFYSA-N	247.426	4.681	0	10	BJAE	
CCCC[C@H](NCCC)c1ccc(C)cc1C	35579468	HPIZSHBDOTYQTQ-INIZCTEOSA-N	233.399	4.534	0	10	BJAE	
CC[C@@H](C)CN[C@H](C)c1ccc(CC(C)C)cc1	36954606	CIYJCKURORQCFK-HUUCEWRRSA-N	247.426	4.582	0	10	BJAE	
Cc1ccc(N[C@H](c2cccs2)C(C)C)cc1	37215817	INBNADSIXRLPDM-HNNXBMFYSA-N	245.391	4.866	0	10	BJAE	
Cc1ccc(Cl)c2c(Cl)c(Cl)cnc12	41702500	HTTHYEDAEYNWLF-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CC[C@H](N[C@@H](CC)c1cccs1)c1ccco1	54106471	GWFMWAVDTDYILT-RYUDHWBXSA-N	249.379	4.533	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@H](C)C[C@@H]1C	78462714	OWHGOQLAMBCCCD-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CSc1ccccc1NC1C[C@@H](C)C[C@H](C)C1	84464412	MTTPNVRBWDKFSG-RYUDHWBXSA-N	249.423	4.645	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC[C@@H](C)[C@@H]1C	85097350	JHXYYRWYJZNLOU-IJEWVQPXSA-N	245.410	4.876	0	10	BJAE	
CC[C@H]1CCC[C@H](Oc2ccccc2Cl)C1	85149900	AJJWWSCSGPLSMZ-RYUDHWBXSA-N	238.758	4.688	0	10	BJAE	
CC(C)c1ccc(NC/C(Cl)=C/Cl)cc1	85977076	JFIDAXRTCNETPF-XFFZJAGNSA-N	244.165	4.541	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@@H](C)CC1)C1CCCCC1	86889875	HTLVSKJPKOQODG-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCc1ccc2c(c1)C(C)(C)CCC2(C)C	90415613	SLIOAQVQWDNBNB-UHFFFAOYSA-N	216.368	4.598	0	10	BJAE	in-vitro
CCCC[C@H](CNC(C)(C)C)c1ccccc1C	93106354	BHFNRLBFDUWPID-OAHLLOKOSA-N	247.426	4.657	0	10	BJAE	
CC(C)C[C@@H](C)NCC1(CC(C)C)CCCC1	94874005	RFNBORYYCIGCLA-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(NCCC2CCCCC2)c1	107742108	HAWHAMPSEFYEOL-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1cc(C)ccc1C	124640668	UBRYLKANEJTTEJ-WBVHZDCISA-N	247.426	4.910	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1CC(CC)CC	126378938	NBSCHEAORVSAAI-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCCC)C(C)(C)C	126948999	XLAZKKVIMSOILF-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
O[C@@H](c1ccc(C2CCC2)cc1)C1CCCCC1	132861905	IOGMJVOQCXTXRQ-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@@H](C)CC	133412735	JRUMVMSBTFGLSS-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCC(C)C)C[C@@H](C)CC(C)(C)C	158722328	PUFNXFPEZJXEJD-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C2CCCCCC2)C1	167551733	MXJWUXJYNUZYPY-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)C1CCC(C)CC1	167794745	WGICVOTXRAESJK-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)COc1c(C)cccc1C	213632078	AAKFPYSQCKNLLR-OAHLLOKOSA-N	234.383	4.899	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCCC[C@H]1C(C)C	214438976	UPCINBTUUBKGBY-GOEBONIOSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H](N[C@H]1CC[C@@H](CC)[C@@H]1C)c1ccccc1	225203671	HGNNPRXAFBVHKY-ABFRBSLYSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(N[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)cc1	226968121	FPDFNLVQABOPHB-QRTARXTBSA-N	243.394	4.622	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@@H]1CCC[C@@H](C)C1	227006166	VXOMNQDJLSLATQ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(O[C@@H]2C=CCCC2)cc1	232357773	VUTQNZXXDCIIQH-UKRRQHHQSA-N	230.351	4.688	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccccc1C(C)(C)C	233326764	JVWUXSYPOXWEDT-LBPRGKRZSA-N	232.367	4.603	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1cc2ccccc2s1	233350588	YNZSZAQDMXOAFV-XHDPSFHLSA-N	247.407	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC)[C@H](C)NCC	251391776	UGJVSOGHCCUUFH-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](CC)c1cccs1	251951837	UNYALOFRIBLQFK-YNEHKIRRSA-N	239.428	4.614	0	10	BJAE	
CCCC[C@@H](NC(C)C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	252601854	MQWKATHQHRNQHR-FXUDXRNXSA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)[C@@H](F)c1cccc(Br)c1	258451068	HWBFLBTWPBHXAJ-JTQLQIEISA-N	245.135	4.506	0	10	BJAE	
CCN[C@@H](CCCCC(C)(C)C)CC(C)C	300815531	GKTKLWOBZRREMP-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Cc1cc([C@H](O)CCCC(C)(C)C)c(C)s1	300950176	XDVQOMUPMBXNLJ-CYBMUJFWSA-N	240.412	4.615	0	10	BJAE	
CC(C)C[C@@H](C)CNc1cccc2c1CCCC2	302449545	XEVAXOIGPAJQBE-CQSZACIVSA-N	245.410	4.660	0	10	BJAE	
Cc1cccc(OCCCC(C)(C)C)c1C	304151070	PIMGQJLHBWYRBW-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
Cc1ccc(OCCC2CCCCC2)c(C)c1	305982106	RMFITMFQJZNNBC-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
Cc1cccc([C@H](C)N[C@@H](C)CCC(C)(C)C)c1	306039503	MYDKWEJGAPHLBM-GJZGRUSLSA-N	247.426	4.860	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)[C@H](CC)CC(C)C	308049635	FUVDAJHHQNVFRS-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)c1cc(C)c(C)cc1C	308058591	FEWFHINGZMWYME-WBVHZDCISA-N	247.426	4.684	0	10	BJAE	
CC1(CNc2cccc3ccccc23)CCCC1	311089274	YJIPSXOWYSYRPS-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
CC(C)(C)NC[C@@H]1C[C@@]12CCCC21CCCCC1	313027110	FSYIEXAKDDAUMZ-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](Nc1cccc(F)c1C)C1CCCC1	313409296	MYLBPJGYJACXCJ-MRXNPFEDSA-N	249.373	4.905	0	10	BJAE	
CCC[C@@H](N[C@H](CC)CC1CC1)C1CCCC1	313445412	QCEGDMCPCGUBEY-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CC(C)NC[C@]1(CCC(C)(C)C)CC=CCC1	317438637	IVXNPGHJALAWNU-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@]1(CNCC(C)C)CC=CCC1	317840474	HVGBXEWDUOZRJL-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1sccc1F	381247191	NMGDNDFWYOIYAD-JTQLQIEISA-N	242.359	4.676	0	10	BJAE	
C/C=C\CCN[C@@H](C)c1cc2ccccc2s1	382796590	KDPLZMPRVIICIG-MVZIDQBPSA-N	245.391	4.518	0	10	BJAE	
CN[C@H]1CCCC[C@@H](CCCCCC(C)C)C1	383240386	VDIYMGHVPVLCEW-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1CCc2ccccc2C1=O	384551108	WEUBGUXYZPJMJV-ZFWWWQNUSA-N	244.378	4.504	0	10	BJAE	
CC(C)CNC[C@H]1CC[C@H]1CCC1=CCCCC1	385019598	ZNXNIWHGXHDPFV-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
C1CC[C@H]([C@H]2CCC[C@@H]2CCC2CCCC2)NC1	386003024	KYLVBNNCRFLNCU-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CC12CCCC2	386954050	XHWCXVGJAKKRCR-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1F)C1CCCC1	387570773	JBSGFMICSPBJRB-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H]1CC[C@H](CC)C1	395054833	XIWUXIIGOBVUNP-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CCC[C@@](O)(C1=CCCCCCC1)C(C)(C)C	395447562	YFNARBQFADQHNG-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CSc1csc2c(C(F)F)c(C)ccc12	396410214	RKXJBPXUQQRXFV-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@@H](Nc1cccc(C)c1)[C@@H]1CC1(C)C	397631319	OHCVLOMSLSOFRP-LSDHHAIUSA-N	231.383	4.622	0	10	BJAE	
CC(C)c1ccc(OC[C@H](C)C2CCC2)cc1	398619179	DQOQEYJTQIOABA-ZDUSSCGKSA-N	232.367	4.625	0	10	BJAE	
CC(C)NC[C@H]1CCCCC[C@@H]1CC1=CCCC1	400663888	SYYGOXMYUHFNBM-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(NC[C@H]2CCCC[C@@H]2CC)c1	401593854	UDWLOBSMZUGHKA-JKSUJKDBSA-N	245.410	4.877	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CC(C)(C)c1ccccc1	686664987	UEIPQDXWGATLBR-KRWDZBQOSA-N	247.426	4.508	0	10	BJAE	
CCCC1(NCC2(C(C)C)CCC2)CCCC1	687269509	YUDLTIKYRRNJIY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(O)CC2CCCC2)C1	689766912	OATDRSDFKZLDRG-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21	691742786	HTYHCOXSOZIKHY-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCCC[C@H]1C1CC1	696103876	JLKUPUWOTQQSTL-ZFWWWQNUSA-N	247.357	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1cc(C)c(C)cc1C	696682532	IYDQRILIXWNCQM-MRXNPFEDSA-N	248.410	4.862	0	10	BJAE	
CCNC[C@H](CCC(C)C)C1CCCCCC1	696818640	VSFRLLXDHNWVAR-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C[C@@H]1C[C@H]2CC[C@H]1C2	697774686	MXBONHXPIUKGJN-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@H]1CCCCC1(C)C	701253061	NWHTWSMXGVBTFP-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@H]1CCCC[C@H]1C	704795567	HTRABJXSWKSIHK-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(CC1CCCCC1)C1CCCC1	704956782	LQHGHGNTWNDSKB-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]3CCC[C@@H]32)cc1Cl	707856384	FNTZXVRTTVCHLO-CORIIIEPSA-N	249.785	4.639	0	10	BJAE	
CCC[C@](N)(C[C@H](C)CC(C)(C)C)C1CCC1	709243770	NMULCYSUIBFSOO-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CN[C@H]1CCCC2(CC2)C1)C1CCCCC1	709978256	JXDDTQUHKHCKFC-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC[C@@]23CCC[C@@H]2C3)CC1	710484082	JGUIMVKYIXJAGZ-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CCC)Nc1cc(C)c(N)cc1C	710674903	XGZRWIZGKJMVEI-CQSZACIVSA-N	248.414	4.656	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(O)C[C@@H](C)C(C)(C)C	710736360	JRFSPEYCDYRGMR-DVOMOZLQSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)(C)C)CC1(C)CC1	711214902	DSMYSSVMXKMNQE-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
O=C(CCCC1CC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714482174	QQORHQDLTNOXIE-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(C(=O)CCC(C)=C(C)C)CC1	719151952	XMZOIYDZVHSYTA-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCCC3(CC3)C2)CC1	723603433	XDNKATIBNQQLNF-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
Fc1cc(CC2CC2)ccc1CC1CCCCC1	725392992	NGUFDRIRGPJKSX-UHFFFAOYSA-N	246.369	4.901	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1NC[C@@H]1CCC=CCCC1	1184250548	FICCEKWSKKUXCH-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCCCCN(C[C@H]1CCC[C@H](C)C1)C(C)C	1308571545	VFEJIFJLHXXJFR-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
Cc1occc1SC[C@H]1CCCC[C@@H]1C	1651920063	GRDRHVCYDVKMBC-CMPLNLGQSA-N	224.369	4.506	0	10	BJAE	
CC(C)[C@H](C)SCc1cccc(Cl)c1F	1652685606	CUGXJSZQQZVJFK-VIFPVBQESA-N	246.778	4.757	0	10	BJAE	
CCC[C@@H](C)CCNCCCC1CCCCC1	1653034334	ADTRFZWRAOBCNM-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
C=C=CCCCc1c(Cl)cccc1Cl	1885700033	AYUQZOWEEWYYQA-UHFFFAOYSA-N	227.134	4.657	0	10	BJAE	
CCc1cscc1[C@@H](O)CCC(CC)CC	1900692235	AYTPOAIMJWACHR-AWEZNQCLSA-N	240.412	4.560	0	10	BJAE	
CCCCC[C@H](CC=C(C)CC)NCCC	1900858932	RJEOQISRUPWDKI-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)c1cccs1	1905433519	HBHGHNQXLJTYET-STQMWFEESA-N	239.428	4.615	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1CCCCCC1	1905436265	YNSDDJXRXOHOQD-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@H]1C(C)C	1907597495	YAZBFKLZLGPOPO-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC[C@@H](N)CC1CCCCC1	1910749609	VUOZNHFBTIYFOO-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCCC1CC(C(=O)C2CCC(CC)CC2)C1	1921279083	ZKTMRBVDTYUABO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C1CCCC(CNC2C[C@H]3CCC[C@H](C2)C3)CC1	1923487059	QDFPTGMQZHBPNQ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CNC[C@@]1(C[C@@H]2C=CCCCC2)CCCC1(C)C	1925781530	UILXZZVRPDKDKJ-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
FC(F)(F)c1cc(C[C@H]2C=CCCCC2)co1	1925820354	PVFMOTHZEJGBEM-JTQLQIEISA-N	244.256	4.587	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@H]1C=CCCCC1	1925928477	UUCZKOSOFJDLSY-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1Nc1ccsc1Cl	1932482794	RCBKKQGAWSGVGK-NXEZZACHSA-N	243.803	4.638	0	10	BJAE	
CC(C)=C(C)CCc1cccc(C2CC2)c1	1936379736	GUOMCXHHOHUIPK-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CCCC[C@H](NCCC)c1cscc1CC	1938827162	UVOUYBGGILQHCB-AWEZNQCLSA-N	239.428	4.541	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCCC1(C)CC1	1940877121	OXPHHFQGDNMLIV-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)CCCC1(C)CC1	1941263625	DFBCSYNSFGDQHR-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C)[C@H](CC1CCC=CCC1)NCC	1941795383	KOCQHVIBIXHIQA-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@@H](CC1CCC=CCC1)NC	1941796493	FZRSUTBKOYRTFL-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@H]1CCCCC1(C)C	1942658581	HECNGSGJHFFHNR-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCCC1CCC(O)(C[C@H]2CCC[C@@H]2C)CC1	1944869356	SUXSUAKMEXRUOS-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCS[C@@H](C)C2)c1	1946352891	IZPDUDIATGNKNW-WFASDCNBSA-N	249.423	4.506	0	10	BJAE	
OC1(CCC2CCC2)CCCCCCCCC1	1947880515	XYSQHJCWXYYECK-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
c1cc(NCC2CC3(CC3)C2)c2sccc2c1	1948664438	WXAMTBUXVPXEAT-UHFFFAOYSA-N	243.375	4.503	0	10	BJAE	
Cc1cc(NC2CC3(CCC3)C2)c(C)cc1Cl	1948807025	MXHSKELHOLBHPT-UHFFFAOYSA-N	249.785	4.701	0	10	BJAE	
CCC(CC)(CC)NC[C@@H]1CC12CCCCC2	1950623171	MCEKFAAMIKSGOU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CCCC2(C)CC2)CC1	1950922763	CGZWZRTWJRKRMS-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H]1CCC[C@H](C)CC1	1950930337	OFZNCUKVPZZQSC-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
FC(F)=C1CCCCC12CCCCC2	1954927987	GKESGOABJNDJSU-UHFFFAOYSA-N	200.272	4.662	0	10	BJAE	
CCc1ccccc1NCC[C@H]1CCC[C@H](C)C1	1968359668	FGHMQZLPXNQTGQ-LSDHHAIUSA-N	245.410	4.877	0	10	BJAE	
CC(C)CCN(C[C@H](C)C(C)C)C1CCCC1	1968814962	BJLGZIVVJKSKJP-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC2(C3CCCC3)CC2)C1	1970499294	HJYJVXAOZGVWGX-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC(O)(CC)CC[C@H]1CCCC(C)(C)C1	1994035079	WCCFHOWGGZBGHM-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CC[C@@](O)(C[C@@H](C)CC(C)C)C1CCCCC1	1996548344	QVSYVSQUTKPPHD-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCSc1ccccc1NCC1CC=CC1	1996565023	WUAWTVYEUFPNSE-UHFFFAOYSA-N	247.407	4.567	0	10	BJAE	
CC(C)=CCCc1ccc([C@H]2CC2(F)F)cc1	1996747408	SUDWWYFCGRCRPJ-CQSZACIVSA-N	236.305	4.708	0	10	BJAE	
Cc1ccccc1OC[C@H]1CCC=CCCC1	1999986457	UVPSUQVWZXWLCH-HNNXBMFYSA-N	230.351	4.510	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C(C)(C)C(C)(C)C)C1	2000106503	PHERQIMAEUSCHG-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cc(C)cc(C)c1	2000211851	PLXQHVQHBDURNC-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CC(C)[C@H](C)C1(O)CCC2(CCCCC2)CC1	2000283647	UBLLKRZPBXLHRM-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](O)C1CCC2(CCCCC2)CC1	2000284131	XIVLREXICZRFMP-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C[C@@H]1CC12CCCCC2	2001258383	DYCWTCDJLQULLF-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)[C@@H]1CCC[C@H](C)C1	2002999868	XSHWIYOPIVHUQA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1CCCC2(CC2)C1	2003279091	ZLOSNDGSNDVZNP-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1(C2CCC2)CC1	2004531008	QHQFBXAKSQGRBI-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCC[C@@H]2CC[C@H]21	2004797017	HMSXQIJLYRSISB-YRGRVCCFSA-N	249.785	4.639	0	10	BJAE	
CCCCC[C@H](NC)[C@H]1CCCCC12CCC2	2005601041	PVMFBEQADCGTPD-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)NC[C@H]1CCC[C@@H]1C(C)C	2007661097	YJPIJEZLOUUDKY-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)C1(C)CCC(C)CC1	2007686580	AOHSKEMAHGFLDA-PYBGIAKNSA-N	240.431	4.636	0	10	BJAE	
CC1CCC(C)([C@@H](N)CC2CCCCC2)CC1	2007688083	FAYMOEONOAVTEH-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@H](CC[C@H]1CC1(C)C)NCC	2009616237	HCMZMBSRPVSVAM-SJKUQHEZSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCCCC[C@H]2C)C1	2009711828	DRFPRTSHUFJFPT-PRLABOORSA-N	237.431	4.514	0	10	BJAE	
CCCCCC1CC(N[C@@H](CC)CC2CC2)C1	2009716184	PACYOBUCGOWGKV-PCKAHOCUSA-N	237.431	4.514	0	10	BJAE	
C=C=CCC[C@@H](NCCC)c1sc(C)cc1C	2010985712	RQCUEHCNVLCJFR-CQSZACIVSA-N	249.423	4.527	0	10	BJAE	
CC(C)(C)CCCC(=O)C1C[C@H]2CCC[C@@H]2C1	2011989668	LZRQIVWVGQVAFJ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)[C@@](CC)(CNCC(C)C)C(C)C	2012417364	SJDKRTXEPACASX-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CCCCCC[C@@H](O)C(F)(F)C1CCCCC1	2012973200	RFFSWGMQLBRGHD-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC(C)=C(C)CCN1CCCCCCCCC1	2013185655	ZALIPEQTCMCTCQ-UHFFFAOYSA-N	237.431	4.779	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CC[C@H]1CC1(C)C	2013312190	PYMSYLBRWQSECY-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCN[C@H](C)c1cscc1C1=CC[C@@H](C)CC1	2013604634	OXFVHRMWMZVGJN-VXGBXAGGSA-N	249.423	4.622	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)CCCCCC1CC1	2014884939	MJRQVUPNTSQEEC-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@]1(C)CCCC(F)(F)C1	2014954428	LYIHSPRSAGEDLC-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CCCC1(C[C@@]2(O)CCCC[C@@H]2CC)CCC1	2015639372	GMLQQQIUFCQUQJ-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CCC1(CCC)CCC1)NCC	2015648556	QXBGLXWBQPDVBN-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC(C)=C(C)CNc1ccccc1SC(C)C	2017470075	XFBWYAUDDMUNIS-UHFFFAOYSA-N	249.423	4.955	0	10	BJAE	
CCC[C@H](N)CCC[C@H]1CC[C@H](CCC)CC1	2017733044	HAILVCUXDATFPQ-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(C)CCCC(C)C)CC1	2019298806	CLIWUSMQFFEAIT-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCCN1CC[C@H](C)C(C)(C)C1	2019344316	LQYSGJBHFVLAFK-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CN[C@@H]1[C@@H](CCCC(C)(C)C)CCCC1(C)C	2020361437	PRMJZDJYNKSBJT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@](O)(CC)C1CCCCC1	2022447747	IGHZJNIVPXIHLY-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@H]1C[C@@H]1C(C)(C)C	2022560043	LHGZIBUYDVIIGK-WWGRRREGSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1C[C@H]1CCC	2023338045	BPWXCTXBDMXWKZ-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CNC(C)C)C[C@@H]1CCCC(C)(C)C1	2024093895	FXOBVNVYFWDNPP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@@H]1CCCC(C)(C)C1	2024100461	CQEMVNAJGIQJTG-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
C1=C[C@@H](Cc2ccc(-c3ccccc3)s2)CC1	2025600892	QLBBRACXUKODKF-CYBMUJFWSA-N	240.371	4.924	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@]12CCC[C@@H]1C2	2026075755	YXOKHHMRXGLXET-LZWOXQAQSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC1(C)CCCCC1)[C@@H](O)c1ccccc1	2027316899	OGNXMPZCYMYAGB-GDBMZVCRSA-N	246.394	4.717	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)C1(C2CC2)CC1	2028102278	ZTQCOZWHLAYJCW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)c1ccccc1C1CC1	2028560999	WHINOBUGUKVVHH-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](NCC)c1ccc(C2(C)CC2)cc1	2028598462	QWMGGCGVBYLRTE-INIZCTEOSA-N	245.410	4.579	0	10	BJAE	
CC[C@H](Nc1ccccc1C1(C)CC1)C1CCC1	2032243031	PWQCTRTYJFCLEJ-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@]1(N)CCCCC12CCCC2	2032505604	JCZKAAMETIOLPV-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC12CCC(CC1)C2	2033452496	CCFRCQSVIFLABA-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)c1c(C)coc1C	2035531793	KYWKQZREMPXNTH-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
CCCNCC1(C[C@H]2C=CCC2)CCC(C)CC1	2035593701	SURVIIWSSYIDLZ-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)N[C@@H]1CCC2(CCCC2)C1	2036769995	AAJTXLAWRAZZCF-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(C)c([C@@](C)(N)CCCC(C)C)c(C)c1	2037093536	IULJMUBBHCJWIO-KRWDZBQOSA-N	247.426	4.612	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@H](C)c1ccccc1	2037116031	PRUCZQYBWIECPL-HOCLYGCPSA-N	247.426	4.724	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C[C@@H](C)C1CCC1	2037157049	BWCBAGAXEJXEHR-JJRVBVJISA-N	249.442	4.667	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2037159909	VGWXLTDYJCQUIW-WOYTXXSLSA-N	249.442	4.523	0	10	BJAE	
CC(C)CC[C@@](N)(CCC1=CCCCC1)C1CC1	2037172194	SEJYTRQCXVETNI-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)[C@@H]1CCC2(CCCC2)C1	2037591148	ZUNUQAZDYYGOLL-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)[C@H]1CCC2(CCCC2)C1	2037677589	FIOASFBZSBZHQT-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)CC12CCC(CC1)C2	2039345955	QOKFJYJBGOGDAZ-CGZBRXJRSA-N	247.426	4.565	0	10	BJAE	
C[C@@H](NC[C@@]1(C)C=CCCC1)C1(C)CCCCC1	2039872334	MJDMUGDMDKYQSK-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](CC2(N)CCC3(CCCC3)CC2)C1	2040166529	PVEZRSSJLLLCDB-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
FC1(F)C[C@@H]1c1ccc(C[C@H]2C=CCCC2)cc1	2040911256	VIPMXVCSMZKTBJ-SWLSCSKDSA-N	248.316	4.708	0	10	BJAE	
CN[C@H](CC1CCC(C)CC1)[C@]1(C)CC=CCC1	2042027163	KQKSTLMHDGGXIX-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc([C@@H](N)CCC2CCC2)cc1	2042743142	RVPJWGJRPHAQOC-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
C1CCCC(CCN[C@H]2CCC3(CCC3)C2)CC1	2043604996	CAJFZDSWGKJCSB-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC(C2(CNC3CCC3)CCCCC2)C1	2046211444	FCAMVOOJFIKULQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1CC([C@@H](C)NC2CC3(CCCCCC3)C2)C1	2046230612	VBXOJAHSBBLENU-SHARSMKWSA-N	249.442	4.514	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC12CCCC2)C1CCCCC1	2047055346	JZZZOSDWWUVDMI-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047405373	BIPJFFBATNSBFH-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)n1C[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047448257	RIQZLKJJIPISKS-ULQDDVLXSA-N	245.410	4.711	0	10	BJAE	
C1CCCC(NCC2[C@@H]3CCCCC[C@@H]23)CCC1	2048401656	YTDCWVUEICJGPP-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@H]1[C@H]2CCCCC[C@H]21)C1CCC1	2048447185	RLZNSIACTUXTJF-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CN(C[C@@H]1C=CCCCC1)C1CCCCCCC1	2049782931	ORURFZINNVMOJK-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H](C)CC2CCCCC2)CCC1	2055554767	LPTXFLVJJWLEIZ-WMLDXEAASA-N	249.442	4.824	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1ccc(CF)cc1	2055668550	DPZMNWLPMKYPTD-HUUCEWRRSA-N	249.373	4.784	0	10	BJAE	
CN[C@@H](CC1=CCCC1)C1(C)CCC(C)(C)CC1	2056555826	AYBOASHSBNCPDH-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@H](O)C2(C)CCC(C)(C)CC2)c1	2056559170	POYQJZXTILZHRR-HNNXBMFYSA-N	246.394	4.635	0	10	BJAE	
C[C@]1(C(=O)CC2CC(C3CCC3)C2)C=CCCC1	2056666750	VRCIVPDOZJRYQZ-PGEKIEPBSA-N	246.394	4.518	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@](N)(C=C1CCCCC1)C2	2056912018	UXZUVIYWGISPCB-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C[C@H](C)C2CC2)cc1	2057357468	KZMUNQVUDFROBQ-STQMWFEESA-N	244.378	4.819	0	10	BJAE	
CCCC[C@H](N)c1ccccc1-c1ccccc1	2058795130	SNNPHWHITPAUMH-KRWDZBQOSA-N	239.362	4.544	0	10	BJAE	
CCCC[C@H]1NCCC12CCC1(CCCC1)CC2	2059472832	MQRWADHORFTQJN-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C1=CC[C@H](C)CC1	2060914115	PRWNJRMVJQNVSU-GRDNDAEWSA-N	247.426	4.587	0	10	BJAE	
CCN[C@H](CC1CCCC1)C1=CC[C@H](CC)CC1	2061082346	VCTBXFDETAPRNX-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@@](C)(N)C2CCC(C)CC2)CC1	2061115510	IBHDFPPLBLPFGB-INTUILBWSA-N	249.442	4.667	0	10	BJAE	
CCCC1([C@H](CC[C@@]23CCC[C@H]2C3)NC)CCC1	2061613671	ATQQTODMXCTGSS-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@@]12CCC[C@H]1C2	2061616824	LYDKWDPTMQIIMV-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C1CC(=C2CC2)C1	2061651537	YWEMOZPWKRUODA-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC2(CC(C[C@](C)(N)C3(C)CCC3)C2)C1	2063207508	HBVWSXUDXCMAIC-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](Nc1ccc(F)cc1C)c1occc1C	2063673299	YVXZFWRLHGXDCH-ZDUSSCGKSA-N	247.313	4.599	0	10	BJAE	
CCCCC(C)(C)NCc1c(C)cc(C)cc1C	2066384055	XYNKTRBNNYGRKH-UHFFFAOYSA-N	247.426	4.670	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)CC1CCC2(CC1)CC2	2068273161	GGHRVYAJQTUCMR-ZBFHGGJFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)C[C@H]2CC23CCC3)C1(C)C	2069191264	XFKUFXFCHDJPHW-DVOMOZLQSA-N	248.410	4.598	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CCCCCCC1	2071190426	HBTNKDKXAOWBKD-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](CCC1CC2(C1)CC21CC1)NCC	2072232748	UWDKNJDAUANLHI-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)C[C@H]2CCC23CCC3)CC1	2072794477	USFSLZSRIJLLJQ-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(C[C@H]1CC[C@H](C)CC1)[C@]12CCCC[C@@H]1C2	2072799047	OWIMBYUGWDSUIE-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)C23CCC(CC2)C3)CC1	2072872271	ZQTRKKMTNCMXAE-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@]12CCCC[C@@H]1C2	2074111723	FIQKSNXPASDDRZ-PNBKFKSVSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCCC1=C1CCNC2(CCCC2)C1	2074131649	DAPUYFFKHSQBGO-CQSZACIVSA-N	247.426	4.579	0	10	BJAE	
CCC1(CN2CCCC3(CCCCC3)CC2)CC1	2074589894	GUYQXAFZLHZCNR-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCN(CC[C@@]12CCC[C@H]1C2)C1CCCCC1	2076589786	PDHWIWCYFAPZJK-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC=CCCC1)[C@H]1C[C@@H]1C	2079225943	ZCLBQTAMTLBGFX-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@@H]2C2CC2)CC1	2079326787	BZCRECIKEVVKOE-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H]1C[C@H]1C1CCCC1	2079473138	JRKIAGALSSWPQP-JKSUJKDBSA-N	246.394	4.662	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](CC1=CCCCC1)NCC	2079632550	IFCHOAVBPVJMCL-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CCC)c1ccccc1	2079632944	KYGKAVCGZMGVAI-YESZJQIVSA-N	245.410	4.554	0	10	BJAE	
NCC1(C[C@H]2C[C@H]2C2CCCCC2)CCCCC1	2079665290	KEBOTMRLEJMTIB-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2C[C@@H]2C2CCCC2)CC=CCC1	2079849610	AARKZHBFEQWUBF-UXLLHSPISA-N	246.394	4.518	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CCCC2CCC2)c1	2082950934	BLKSBPSJROJJIL-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
Cc1cc([C@H](N)C[C@@H]2CCCC(C)(C)C2)c(C)o1	2082976920	VBPMJIIJOHMXQY-DZGCQCFKSA-N	249.398	4.503	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@]23CCCC[C@H]2C3)C1	2082986537	MXOVFMBNUYQRQP-KEYYUXOJSA-N	248.410	4.742	0	10	BJAE	
CC[C@@]1(CC2CCCCC2)C[C@H]1CNC1CCC1	2083191274	NXFQNHMBARXOIC-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)[C@@H]2C=CCCC2)c1	2083542689	ZJYZUZFFYDUYHL-CYBMUJFWSA-N	242.362	4.523	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NC1C2(CCC2)C12CCC2	2083547700	DGQUMWPBYBLCHP-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
c1ccc2nc(CC3CC(=C4CCC4)C3)ccc2c1	2125725344	QHWGZHKIPKZQIP-UHFFFAOYSA-N	249.357	4.668	0	10	BJAE	
Cc1cc(-c2c[nH]ccc2=S)cc(C)c1Cl	2210142619	QEMDMOLJNPKFLW-UHFFFAOYSA-N	249.766	4.681	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)CCCCC1CC1	2214576883	AHHQRSCYXVQDKA-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CCCCC1CC1	2214586486	WKAHYUXSORTFRL-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)C(C)(C)C1CCCC1	2215341625	MGVMWURDZQYCCU-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCNC[C@@]1(CC(C)(C)CC)CC=C(C)CC1	2215834155	MSNSUDTWNSOIGD-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC(C)=CCCN[C@@H]1CCC[C@H](C(C)(C)C)C1	2216252460	KFNLNBOJMOTLTG-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](O)CC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216745555	XCFDYWISVPPEFF-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1CC[C@@H]1CCCCCCCC1CC1	2216877877	QWXYPAOXWUGTMB-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CCCCCCCC1CC1)[C@]1(C)CCN1	2216880465	VPXRDXIWJMDVSI-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC1=CCC[C@@]1(O)CCCCCCCC1CC1	2216880622	XIHXJVNAAHHXJL-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
O[C@@H](CCCCCCCC1CC1)CCC1CC1	2216896622	PTMXUDJDJZPAGH-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@](C)(CN[C@H](C)CC)C1CC(C)(C)C1	2217125275	NXXIGTAQMYAHSP-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)CC1CCCC1	2217142242	VLAHEQHMHORLAX-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCCC1CC(N[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218340899	RSMOBGMRIFSCQY-BDYLLLIDSA-N	249.442	4.514	0	10	BJAE	
C[C@@]1(C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCCCN1	2218354467	RZVUDUOFVZRJMC-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C(=O)CC=Cc1ccccc1)C(C)C	2219086895	GOCDFXYEFHRXPT-MRXNPFEDSA-N	244.378	4.731	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@]1(C)CC=C(C)CC1	2221624162	MSVFAXYFLUGIES-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(C[C@H]2CCC[C@H]2C)CC=C(C)CC1	2221669290	WIMPIQHFSBBOPD-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC(C)CCC1(CNC2CCC2)CC2(CCC2)C1	2223591381	BWLBMMMLAMIQRL-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C(=O)c1ccc2occc2c1)C(C)C	2224141515	KBMDXKHRQYFKSG-UHFFFAOYSA-N	244.334	4.544	0	10	BJAE	
CCCCCC[C@@H](NC)c1cccc2ccoc12	2224192656	YCIUVPIAVDVKLE-OAHLLOKOSA-N	245.366	4.664	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1csc(C)c1C	2242610899	IDUAELPVWFPZBO-CYBMUJFWSA-N	239.428	4.581	0	10	BJAE	
CC(=CC[C@@H](C)CCCC(C)C)CCCN	2244847000	JVTMLFNBLHKOOE-AWEZNQCLSA-N	225.420	4.524	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2(C)CC(C)C2)CC1	2246571292	FPWBYAXJERNOPD-GQFVKFBWSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@H](N)CC1(C)CC(C)C1)C(C)(C)C	2246584372	JHQUCTCVTCOLNB-IQXANGCESA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2(O)CCCCCC2)C1	2246693239	NKGNBUGYNBKUFR-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CC[C@](N)(CCCC[C@H]1C[C@H]1C)CCC(C)C	2247175172	IHGALJOGUXMJJK-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
O[C@H]1CCCCCCC[C@H]1CC1=CCCCC1	2247496723	KJBDRFQPRFTIPQ-HOTGVXAUSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@H](NCCC)c1csc(C2CC2)c1	2248043565	AFJZZYQOSRSLNU-HNNXBMFYSA-N	249.423	4.632	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1CCCC[C@]1(C)O	2248807075	NDQFEBWEQRAEGH-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C(=O)CCCCC[C@@H]1C[C@H]1C)C(C)C	2248807241	NNZCRVHNKPONIS-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CCCC[C@](N)(CC)CCCCC[C@@H]1C[C@@H]1C	2248814126	LDQBWAKYWJMHLF-ARFHVFGLSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)[C@H](CCCC1(C)CC1)NCC	2250360082	GLLKOJMXCUNBJC-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)CCC(C)C	2250467574	SPLPSMNWIGNLGN-INIZCTEOSA-N	241.463	4.817	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@]1(O)CC(C)(C)CCC1(C)C	2251673986	LACNBPWYPKPIPN-ZENOOKHLSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](C[C@H]1CCCCC12CC2)C1CCCC1	2253816090	JMBJGDAGIVIBNM-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C(=O)CC[C@H]2CCCCC23CC3)co1	2253861159	CZOMPBWYHQYWOQ-CQSZACIVSA-N	246.350	4.521	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)CC3CCC2CC3)C1	2253994416	DYOIHGWIJMIWRB-RNONSGAXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC=C2CCN[C@@H]2C(C)(C)C)C1	2254000268	CRCVSYALZYPUFW-FMKPAKJESA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CC2CC3(CCCC3)C2)C1	2254063853	VGPHZFIHOWEPDU-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CC2CC3(CCCC3)C2)C1	2254116862	WENMADAWMCRNJL-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)ccc1C(=O)CCCC[C@@H]1C[C@@H]1C	2254594278	REOXWVIELPILBY-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CC1(c2ccccc2NC[C@H]2CCC2(C)C)CC1	2254980713	UHUBCJWEAPLWPJ-CYBMUJFWSA-N	243.394	4.586	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)CC[C@H]1CCCC12CC2	2255280634	CAODVHDTOICJLW-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@H]1CCC2(CC2)C1	2257317102	VRUOSJLRDREVFP-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCC2(CC2)NC1	2259617988	YZMJBXLANFTYQB-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@]23CCC[C@@H]2CC3)CC1	2260517064	QCXBURRBMVCNEM-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC(=O)[C@]12CCC[C@H]1CC2)C1CCCCC1	2260518949	WGUNBRKBOZTLCW-KMFMINBZSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C(=O)C[C@@]12CCCC[C@@H]1CC2)C1CCCC1	2260582989	MIIPMTZFFQKDDT-LXZKKBNFSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@]12CCCC[C@@H]1CC2)c1ccc(N)cc1	2260653152	XCLCCMSEIPNNSC-FRFSOERESA-N	243.394	4.733	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@]12CCCC[C@@H]1CC2	2260677414	FOPFODZVSLUXSG-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC([C@@H](N)C=C2CCCCC2)C1	2261191034	GHYPHOGYNRQMBU-GPANFISMSA-N	249.442	4.667	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)[C@@H](C)CC1CC1	2298858633	PXLYEYLORVAHJF-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@H](C)CC1CC1	2298906863	CJOHNRPBFWALBH-CYBMUJFWSA-N	232.367	4.686	0	10	BJAE	
CC(=CC[C@]1(C)CCCNC1)CCCC(C)C	2300860803	KPGMILNUKJLREQ-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C1CC(C)(C)C1	2300882965	ZGQHBOIMIYFMHR-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)[C@@H](C)[C@@H](C)C(C)C	2301826991	XODDTZURCKWTPE-OFQRWUPVSA-N	241.463	4.560	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H](C)[C@H](C)C(C)C	2301953078	NCEJQSCAXZDCQK-OAGGEKHMSA-N	241.463	4.863	0	10	BJAE	
CC(C)C1(C[C@@H](O)CCCCC2CC2)CCC1	2302571462	KTZBUPRSBWLIOI-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@H]3C[C@H]32)c(Cl)c1	2302835917	IOGWYGLJBIFTLC-OUCADQQQSA-N	249.785	4.639	0	10	BJAE	
CCN[C@H](C)C[C@H](C)C[C@H]1CCC(C)=C(C)C1	2303527571	VKILTWBGWAEZHL-APHBMKBZSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC)CCCC[C@H]1CCC(C)(C)C1	2304448197	VXTIITVOIBZMGI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@H]1c1nc([C@@H]2CC23CCC3)cs1	2304508010	IWARCXQUHBIYDH-QWRGUYRKSA-N	247.407	4.704	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1(C2CC2)CCCC1	2307817469	PPBYOZRYWRGPDR-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1(CC2CC2)CCC1	2307820441	YLRDIHLPFWNLEI-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1(C2CC2)CCCC1	2307828648	LHNVLKPZXDNZBZ-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)Cn1c(C)cc2ccccc21	2307900990	HEIFVRRAUVCXGU-CQSZACIVSA-N	229.367	4.776	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)[C@@]12CCCC[C@H]1CCC2	2308259203	BFWKDGZJIDSHJP-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1CC[C@@H]2C[C@@H]2C1	2309148463	ROXIGYDSTUPMDT-ZNMIVQPWSA-N	243.394	4.658	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2311164653	ONSQSRQSSWICBN-DLTWYDFYSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](C[C@@H]2C[C@H]2C2CCCCC2)C(=O)C1	2311610550	VLDLZJOXWPAWEF-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2312425939	ITAIVQUNVRTZCN-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)C[C@H]1CCCCC12CC2	2312663783	RLMIOOAPHZRJBA-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312958386	QGFGDCQVRWVOHL-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC(=CC[C@]1(N)CCCC=C1C)CCCC(C)C	2316501889	ICZIRUODABHKFF-QGZVFWFLSA-N	249.442	4.977	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2316501968	IUILPUYUEJDTAP-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317121860	PDGVMUNYWUTGGC-OAGGEKHMSA-N	248.410	4.764	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@]12CCC[C@H]1CC2	2317961436	FOPDPVBYHMLZOA-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1[C@@H](N[C@H]2CCCCC23CCCC3)CC1(C)C	2318184092	RJKHIIVHAFSEMV-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1[C@H]([C@@]2(N)CCC3(CCCCC3)C2)CC1(C)C	2318247151	GGPFQJNMOGYNKU-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)CCCC1=CCCCC1	2318501437	AGSYNARCAVBWAV-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
C1=C(CCCC[C@@H]2CC[C@H]3C[C@@H]2CO3)CCCC1	2318568455	LOMWVQFAWZYYEZ-ZACQAIPSSA-N	248.410	4.862	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)CCCC1=CCCCC1	2318569037	OTNPXQMAEZSVHQ-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
CC(C)CC1([C@H](N)CCCC2=CCCCC2)CC1	2318592244	GWCXUEMJWHAEAC-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)c1ccc2[nH]c([C@H]3CC3(C)C)cc2c1	2318849567	SCJHTOARJIHXIU-CYBMUJFWSA-N	241.378	4.979	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@@]12CCCC[C@@H]1CC2	2318931548	QWHQXTHUOJBEIU-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@](CN)(C2C[C@@H](C)C[C@H](C)C2)CC1	2320397504	IYYVFTIOLMPFPH-GDZNZVCISA-N	249.442	4.524	0	10	BJAE	
CC1=C(C)C[C@H](NC2CC(CC(C)(C)C)C2)CC1	2320420241	NXUDSGDRWXYOCH-HWOWSKLDSA-N	249.442	4.680	0	10	BJAE	
CC(C)(N[C@@H](CC1CC1)C1CC1)C1CCCCC1	2320616151	GICQGRRWFJUNFN-INIZCTEOSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@]2(C)C=CCCC2)C1	2321603973	XLVIVJXGLRPLSY-YQQAZPJKSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(CN)CC23CCCC3)C1	2321623085	VFMJCZTVLBJDRH-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](C)[C@H](C)NC(C)C)c1	2327792278	ZWKFRUAIHBITRA-GJZGRUSLSA-N	247.426	4.608	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)[C@H](C)c1ccccc1	2328267909	DJIFGQBISWGKBE-INMHGKMJSA-N	247.426	4.595	0	10	BJAE	
CCCCC[C@@H](C)Nc1cc(C)cc(C)c1	21500110	MCSBUMWOWMDQFH-CQSZACIVSA-N	219.372	4.684	0	10	BJAE	
C/C=C/CCc1c(C)cc2c(C)coc2c1OC	34118091	XQCXEGXEIQGTSU-AATRIKPKSA-N	244.334	4.567	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](CC(C)(C)C)NC)cc1	35469151	CMAATUGSVKFENY-BBRMVZONSA-N	247.426	4.897	0	10	BJAE	
CCC[C@H](C)Nc1ccc2oc(C(C)C)nc2c1	37136834	VTFYAEBCQCYIBX-NSHDSACASA-N	246.354	4.552	0	10	BJAE	
Cc1ccc(N[C@@H](c2cccs2)C(C)C)cc1	37215816	INBNADSIXRLPDM-OAHLLOKOSA-N	245.391	4.866	0	10	BJAE	
CC[C@@H](C)c1ccc2nc(Cl)c(C)cc2c1	71136928	ARGFACIEKRJPRC-SECBINFHSA-N	233.742	4.710	0	10	BJAE	
CCCCCC[C@](C)(CCC)CNC(C)C	82441808	HJKFLYNPPSSZGX-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
Cc1cc(=S)c2cc(C(C)(C)C)ccc2[nH]1	84034930	UHMCRDDCGPLJOD-UHFFFAOYSA-N	231.364	4.503	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C1CCC(CC)CC1	87937785	ABEYRJQYRMPLHV-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCCCCc1ccc(-c2ccc(N)cc2)cc1	113643579	HATDAVIDYCZQKA-UHFFFAOYSA-N	239.362	4.669	0	10	BJAE	
CCc1ccc(-c2cccc(Cl)c2)cc1	116697931	UNXUJJHSQWXCEQ-UHFFFAOYSA-N	216.711	4.569	0	10	BJAE	
CC[C@H]1CCC[C@H](c2ncc(C(C)C)s2)C1	132189856	OWWRDIRNVYBXSV-RYUDHWBXSA-N	237.412	4.950	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)c1cc(C)cc(C)c1	132470803	JUEOOZWMBLVQGO-JKSUJKDBSA-N	247.426	4.923	0	10	BJAE	
Cc1cccc(C(=O)C2(CC(C)C)CCCC2)c1	164083509	FGTKIYKVBSQZMC-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1cc(C)ccc1C	165764744	ZCUSOOJHVGJATE-HUUCEWRRSA-N	244.378	4.703	0	10	BJAE	
CCCCC1CCC(CN)(C2CCCC2)CC1	167996468	UFBIHWQMQVUXDG-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
FC(F)C1(c2cccc(Cl)c2)CCCCC1	220826214	IVYVMGKYNRBFGF-UHFFFAOYSA-N	244.712	4.807	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@@H]1CCCC[C@@H]1CC	225384752	MKTGQPYQGQTNIQ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](c1ccccc1C)C1(CC)CCCC1	229437265	YTFYKGHSZCDTEX-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
Cc1cc(C)cc([C@H](C)NCC(C)(C)C(C)C)c1	232763400	FVWIBSUEYRVHAS-HNNXBMFYSA-N	247.426	4.636	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	251030207	ACRPJTIRDVMDGK-QBPKDAKJSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)CCC1CCCCC1	302248751	JUWHQLUUVYDCSE-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccccc1C1CCC1	302421438	RAYWOGJRHHIAMQ-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CC(C)CC[C@@](C)(O)c1ccccc1C1CCC1	302498627	KRJAYQBJDYVXCH-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCC[C@](C)(CCC1CCCC1)CNC(C)C	305997772	UQTGXGOXZJCMID-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](O)C(C1CCC1)C1CCC1	306114424	VOVIQTGHIHUVCX-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CSc1cc2scc(S)c2cc1Cl	307449676	BIGVEPORMCGJHC-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCCC[C@@H](CCC)NCC(C(C)C)C(C)C	310116020	SHDLQCMHBTUZJJ-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CN[C@H]1CCCC12CCCCC2	313051064	ZYLVHBXDKXHARS-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](Nc1ccccc1C)C1CCCC1	313405336	KFVJDFFORAFTCI-INIZCTEOSA-N	231.383	4.766	0	10	BJAE	
CC(C)CC1(CNC2CC2)CCCCCCC1	318846497	BUZHDCNJUKXQRG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cc2ccccc2s1	319648626	FBJCORHTPYJHCL-WDEREUQCSA-N	246.375	4.766	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1	381321085	XYDVIOZCAXADKY-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCCNCCCCC(C)C	383160178	PZDBKQSOHMAJAH-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCc1cccc(CC)c1NC[C@H](C)CC(C)C	384466922	GQGVFDSUJNVMCD-CQSZACIVSA-N	247.426	4.906	0	10	BJAE	
Nc1ccc2c(c1)CC/C2=C/CC1CCCCC1	385087050	YLTKFAQOJZHFPC-AUWJEWJLSA-N	241.378	4.569	0	10	BJAE	
CCC1([C@H](O)CCC2=CCCCC2)CCCC1	386252578	JIHDSZMAJZJERC-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC[C@@H]1CCCC1(C)C	389001431	QRVUNKBFCODTKC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@H](O)C2(C)CCCCCC2)CCCC1	394612143	SQRFISOHGGTXQQ-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCC1(NC[C@H]2CCCC[C@@H]2C)CCCC1	394864541	SPTWVOILYOWWGY-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@H](COc1ccc(Cl)cc1)c1ccccc1	395168488	QDBVEFOZOKMZQO-GFCCVEGCSA-N	246.737	4.523	0	10	BJAE	
CCc1ccc2scc(SC)c2c1CC	396176807	HGISGJAIFLJKPY-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
COc1c(C(F)F)ccc2cc(Cl)sc12	396293289	VMUNZEZZPCQERH-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC[C@H]1CC)c1ccccc1	396474479	VVDUOJVLNSOSFL-DJIMGWMZSA-N	245.410	4.696	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C[C@@H]1CC=CCC1	402336842	NJNLMAHFWGLAIY-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)CC(C)(C)C1CC1	405746546	QPMAYLJWEZAGKK-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)(CCNc1ccc(Cl)cc1)C1CC1	406094019	ZLIMTBHQFVEOLT-UHFFFAOYSA-N	237.774	4.578	0	10	BJAE	
CC(C)[C@H]1CC[C@H](NC2CCCCCC2)CC1	585669497	VETXGRJDZRCNRT-KOMQPUFPSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)[C@H]1CCN(C(C)(C)C)c2ccccc21	616590344	NJYRNIOSNAIBRI-AWEZNQCLSA-N	245.410	4.825	0	10	BJAE	
CCCNC/C(=C\C1(CC)CC1)C1CCCCC1	687557842	LWVTYNUNIDSTGC-DTQAZKPQSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H](C)Nc1cccc(-c2ccccc2)c1	689640966	ZPUDBDBBXADHTG-AWEZNQCLSA-N	239.362	4.954	0	10	BJAE	
CC1(C)CCC[C@@H]1Nc1cccc(C2CC2)c1	690159100	LRZDSVAVUBSNKV-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CC(C)CNCC1(CCC2CCCC2)CC=CC1	690527335	XRHTUXYMDFAZBP-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCc1cc(N[C@H]2CCCCC[C@@H]2C)ccc1F	691107427	XEIGKOYWCNGGNW-LRDDRELGSA-N	249.373	4.769	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1CC2CCC1CC2	691759214	OJPVCTLXMGJHHK-NVDSNGLKSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC2(CC2)C1)C1CCCC1	695717164	ONGIZKBBWYKZIY-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC1CCC2(CC1)CC2	695760648	OEDQNJNWIIZGAO-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCC(C)(C)C[C@H]1C	696676239	ANRASHYHYMPXTD-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC(CC2(N)C[C@H]3CC[C@@H](C3)C2)CC1	697742937	AHSUPCNGPKCPRX-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2C[C@H]3CC[C@H](C2)C3)CC1	697983456	VDSBNMLZTMUFDE-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CCC[C@@H]1C[C@H](C(C)(C)C)CCN1	699566279	UALMGSFDAPXFKD-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)CC2=CCCCC2)c(Cl)c1	704535628	QIHKYYLUSVKGFV-UHFFFAOYSA-N	248.753	4.722	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)C)[C@@H](C)CC(C)C	708312150	IHDQCXKRSXKHGB-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
Cc1ccc(C)c(NC[C@H](C)CC(C)(C)C)c1	709102325	MFMMVJOUXAMRQR-CYBMUJFWSA-N	233.399	4.788	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@@H](C)CC(C)C	709147435	YRVJHSXUZVOQAZ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)Oc1cc(C)c(N)cc1C	710810483	IKEOBACKKOCKCB-AWEZNQCLSA-N	249.398	4.623	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@@H](C)C(C)(C)C)C(C)(C)C	711193555	SINJWPWTDCKNII-MGPQQGTHSA-N	242.447	4.882	0	10	BJAE	
CC[C@H](C[C@H](N)CCC(C)(C)CC)C(C)(C)C	711213086	MKSDYYZWTFETKD-ZIAGYGMSSA-N	241.463	4.993	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)CC(C)(C)C(C)C	713130984	DTKVDWGQFPNTIT-UVTDQMKNSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@H](CCC1CC1)CC(C)(C)C(C)C	713183795	MNZPYKUKGHOHON-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC/C=C/C[C@H](CC)c1ccc(F)cc1	714527521	GTKAIXSZCYPJPE-FYJFLYSWSA-N	206.304	4.676	0	10	BJAE	
CCCN[C@@H](c1cc(C)co1)C1CCCCCC1	716115749	QXKUVUZMGSEPER-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CC(C)CCCCN[C@H]1CC(C)(C)CC[C@H]1C	717513729	VCYCMSQZFHOXMP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC1([C@@H](CCC(C)=C(C)C)NC)CCCC1	718590991	BAJQYPPBQDNJKU-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CCc1cccc2ncccc12	718650130	YHEFFKPPKKGBGR-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC1CC(C)(C)C1	723558010	RGFBNTZCUCQBRV-UHFFFAOYSA-N	246.394	4.933	0	10	BJAE	
CC(C)Oc1cc(C(C)C)ccc1CC1CC1	725403252	QTSVKOSYDABFOI-UHFFFAOYSA-N	232.367	4.550	0	10	BJAE	
C[C@@H](CC1CCCC1)Nc1cccc2cc[nH]c12	1205492335	ICWJMLZTDMINMO-LBPRGKRZSA-N	242.366	4.549	0	10	BJAE	
CCC(C)(C)CCNC1CCC(C)(CC)CC1	1462495855	MRRPPBQNSIHTJN-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CSC[C@@H]1CCCCC1(F)F	1643920907	HBGLMTAVBDJVQJ-JTQLQIEISA-N	236.371	4.591	0	10	BJAE	
CC(=CCCNC(C)(C)C)CCCC(C)(C)C	1883193449	YWYPKKFGSBCVIS-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@H](C)CC1CCC1	1899348877	ALXZZIQGEKBDTN-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
NC1([C@@H]2C=CCCCCC2)CC2(CCCCC2)C1	1912608065	WMJQLQRWWLACRI-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
CC1CCC([C@H](N)C2CC3(CCCCC3)C2)CC1	1912645102	IXLRFJUFCQTCMG-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(CNC2CC2)C=CCC1	1916342414	NQBWJHNDYGHWRU-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@](O)(CC(C)C)c1ccccc1	1920025629	SMHAFXMTRBTUHG-INIZCTEOSA-N	234.383	4.501	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@@H](C)C1CCCCC1	1924148034	INZVKNZCNQSIHB-BBRMVZONSA-N	249.398	4.537	0	10	BJAE	
CCC(C)(C)C[C@@H](C[C@@H]1C=CCCCC1)NC	1925758389	TXZMGMKKRZRBRX-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C=CCCCC2)C(=O)C1	1925763469	OGGAUUSCLQIAKK-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
C1=C[C@H](Cc2ccc(C3CC3)s2)CCCC1	1925875166	RNIHIXYRGPWNNE-LBPRGKRZSA-N	232.392	4.914	0	10	BJAE	
CCC(C)(CC)[C@H](C[C@@H]1C=CCCCC1)NC	1925898989	SRGSHLAEAHUQQN-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCCC1)C1CC(C)C1	1925922657	TWSLFVXBLKUZPH-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1csc(Cl)c1	1928725742	YVCPBLGXMCRFLN-CABZTGNLSA-N	246.803	4.507	0	10	BJAE	
CCC[C@H](C(=O)c1ccccc1Cl)C(C)C	1936207500	WSJKLXYPMDNOLL-NSHDSACASA-N	238.758	4.595	0	10	BJAE	
Cc1cscc1C(=O)[C@H](CC(C)C)C(C)C	1938811594	OJLIBLPZYKVZEK-GFCCVEGCSA-N	238.396	4.558	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)CCCC(C)(C)C	1939034181	RNPSWJFNMVQIIA-UKRRQHHQSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](C[C@@H](C)CC(C)C)NC	1941265575	WOHVLJROZAQUQL-XHSDSOJGSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](NCC1CCC=CCC1)c1ccsc1	1941795941	UPMVYLHUUIWNIZ-HNNXBMFYSA-N	249.423	4.535	0	10	BJAE	
CCC(CC)(CNC1CC1)[C@H](C)CCC(C)C	1942655896	KRTNFGQIEHCVRW-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(CN)CCCC1(C)C	1944475065	HUVQJFOIKMLYKK-CJNGLKHVSA-N	239.447	4.604	0	10	BJAE	
CC(C)(C)CC[C@H](N)C(C)(C)C1CCCCC1	1944666324	PJDIPLXOZLEFJX-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@](C)(N)CC1CCCCC1	1944841979	GHQJVRFWYGDJPA-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2CCC[C@@H]2C)cc1	1944849751	OSNKOLNJBLADAZ-DZGCQCFKSA-N	231.383	4.658	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cccc(C)c1C	1947464800	QTGCWCGRHHEFRI-GOEBONIOSA-N	231.383	4.684	0	10	BJAE	
CCC(CC)[C@@]1(O)CCCCCCCC1(F)F	1947511074	UFWBMEKIXLIFFW-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@@H](CCC[C@H]1C=CCC1)C(C)(C)C	1947594477	YBZHDPUODURKEV-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](CC)(CCC(C)(F)F)CNCC	1947997727	QKTJOYXDZZDCLZ-AWEZNQCLSA-N	249.389	4.618	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@@H]1CCCCC1(C)C	1948324576	AZXYBVNNVVKMQO-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)NCCCCCC1CC1	1948327976	RJJPJIKFDUCZMY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CCCC1CCC1	1949015411	SLCKRULBCCTMIR-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CCC(C)(C)C1CC1	1949032970	YRXSZMUMAOLDFF-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@H]([C@H](N)CC2(C)CCCCC2)C1	1949069772	JFTLCUZGGNXAMD-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@@H]1CCC[C@H](C)CC1	1950921586	HAYDEGMZNGOJQN-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@H](CC)c1cc(F)ccc1OCC	1951308758	MZOUIHFOILMSHO-LBPRGKRZSA-N	236.330	4.684	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc2cnccc2c1	1963223401	WEEIWLNLIFFGIE-ZDUSSCGKSA-N	242.366	4.616	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NC1CC(C2CCCCC2)C1	1967792567	FGMNSTQMHIYHIJ-LHUBUQBQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCCCC23CCC3)C1	1967800725	ZGWNNZDKXKXKMT-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(O[C@@H]2CCC3(CCCC3)C2)cc1C	1968307229	GOASFHUFZDAHNI-MRXNPFEDSA-N	244.378	4.795	0	10	BJAE	
CC[C@H](C)c1ccc(OCC2CC3(CC3)C2)cc1	1968369915	ZYOMLFLUIXPTLG-ZDUSSCGKSA-N	244.378	4.769	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](CC)C1CCCCC1	1969165043	LELXEKMFBZJFHI-BBRMVZONSA-N	239.447	4.760	0	10	BJAE	
CC(C)Sc1ccccc1N[C@H](C)C1CCC1	1970341541	DIWZJSQAMDZDQB-GFCCVEGCSA-N	249.423	4.788	0	10	BJAE	
CCCCC1CC(N[C@@H](CC)C2CCCC2)C1	1970935241	VMYZBHJKCBSEDD-BCLQGDPASA-N	237.431	4.514	0	10	BJAE	
CC[C@H](NC1CCC(C(C)C)CC1)c1ccco1	1970997958	AGIYEDBRRQMBSU-NRXISQOPSA-N	249.398	4.535	0	10	BJAE	
CCC[C@H](NCC(C)(CC)CC)c1ccccc1	1973316015	PICJCJIQQGYIKC-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
CC[C@H](CC1CC1)NC[C@H]1CCCCC12CCC2	1973673697	QXTRSMNRWIYARN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1CCCCCCC1=O	1980342273	QVHVEHOWTKRUKL-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C1CCCCCC1	1986945353	YKEUYGGZXKQVIR-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@H]1C[C@@H]1CC	1989270594	AHGWWKRELAGPSX-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C1CC(C)(C)C1	1995213924	HXMZQOQPTBUTAR-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](NCC(C)(C)C)C1CCC(C)(C)CC1	1996593420	GTIIFZGBBRSUOQ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H](CC)C2)CC1	1997190755	ILLJSIOCGUIOQU-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CCC)C[C@@H]1CCC=CCCC1	1999990074	GXIIBWLSLBBZNS-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)[C@@H](C)C(C)C	2000508892	MLCBQLUCCDHBEP-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)[C@@H]1CCCC(C)(C)C1	2000911787	RTMQQJBQOMWCHU-UONOGXRCSA-N	239.447	4.712	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCCCC[C@H]1N	2003101789	VPLHILQDRUYZSR-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H]1CCCCCC[C@H]1CCC(C)C	2003115782	DGETVLUGYHPQBD-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@H](C(=O)CC2(C)CCCC2)CC[C@H]1C	2003179731	RWQHFGZXSNEVDP-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)CNc1cccc(CC)c1	2004705454	HWYKRDLZYKPMDT-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CCC(C)(C)C[C@@]1(CN)CCCCC12CCC2	2005603691	GXLVRWWKVGNHIH-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)C=CC[C@H](CC)C1	2006634866	JAVFQALNXYHKQV-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CCC[C@@H]1C1(N)CCCCCCCCC1	2006766502	WUNZUALHMJSFPV-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1CCC[C@@H]1C(C)C	2007615504	JWVQAPDGJWNXIB-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CCC1CC(C[C@@H](NC)C(CC)(CC)CC)C1	2007738593	PMBNJSSRELCJSP-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010706489	UTKWUWSXAFAHNW-NWANDNLSSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](N)CCC1CC2(C1)CC(C)(C)C2	2011846200	SQUDLFRZKDQHSX-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(=O)C(C1CCCC1)C1CCCC1	2013233375	VKEXAZIBSRXJIF-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)C1(C(C)(C)C)CCC1	2017158924	PHXQQGNYJZUEGY-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CC(C)=C(F)C[C@@]1(CN)CCCC(C)(C)CC1	2017468693	MAYPUBPCCMFIDT-OAHLLOKOSA-N	241.394	4.575	0	10	BJAE	
CCC1CCC(C[C@@](C)(N)C2CCCC2)CC1	2017727813	DTRGDMKDOLBWCQ-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)NCCC1(C)CCCCC1	2017741037	AYRMASQUPRPFFR-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(NC[C@]23CCCC[C@H]2C3)c(Cl)c1	2018587395	LRKHZKSMGZDLRP-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCCCC2(C)C)CC1	2018926704	ZPRNLCUYDQIDRA-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCN(CCCC(C)C)C1CCCCCC1	2020500613	FHWRPJYRLLORJB-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H](CC)CCCC	2020972944	YFGUMAOMJIATOR-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1C[C@H]1CCC)NC	2022483014	HQEDPFBSYVOLDG-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](O)C2(C)CCCC2)C1	2024124895	RGTXOTAZESKFCI-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCCC1CCC1	2026168255	YUAAQVYCUZBARO-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
C1CCC([C@H]2CCCN2C2CCCCCC2)CC1	2026993796	BHWHHUJOTNZAPE-QGZVFWFLSA-N	249.442	4.754	0	10	BJAE	
CC(C)C(C)(C)CN1CCC[C@H]1c1ccccc1	2027029002	ZATGWDOESCPCBP-INIZCTEOSA-N	245.410	4.506	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)c1ccc(C2CC2)cc1	2028591401	SLUHFRALAJFXQS-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1ccc(C2CC2)cc1	2028592887	HZGVWLMVBIDECM-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CNC[C@@]1(CC2CCC=CCC2)CCCC[C@H]1C	2028869186	FLRUYTCBLDHLNR-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCCNC[C@H]1CCC[C@@H]1CC1CCC=CCC1	2028876305	YRVHXFMAZBCNIE-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
Cc1cc2ncn([C@@H](C)CCC(C)C)c2cc1C	2029838939	VWBDKGNHWGJFEK-AWEZNQCLSA-N	244.382	4.650	0	10	BJAE	
C[C@H](NC[C@@]12CCCC[C@@H]1CCC2)C1CCCC1	2031809035	OSNPJSUOLTVIFN-UAGQMJEPSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NC[C@@]1(CC2CCCC2)CC12CCC2	2032132066	NMEPZQNCDCPWFS-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C2C[C@H]3CC[C@H](C2)C3)C1	2033099138	BDUIKSBYDXGBCF-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)c2ccc(C3CC3)cc2)C1	2033396680	XSRFAEYCJWMNON-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CCC1(CN[C@@H]2CCCC3(CCCC3)C2)CCC1	2034362299	IULDKSSAXAKWAM-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H]1C=CCCC1	2035567245	QGNFUUAZRHXLPR-CQSZACIVSA-N	242.362	4.568	0	10	BJAE	
CCCNC[C@]1(C[C@H]2C=CCCC2)CC[C@H](C)C1	2035603984	XWGITJBUDKEGMR-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1cccc(C2CC2)c1	2036354871	NPFBERWMPLDVSA-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)Nc1ccc2c(c1)CCC2	2036381622	GXTHBTKPDFTWIY-KGLIPLIRSA-N	245.410	4.658	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@@H](N)c1ccc2ccccc2c1	2037124476	JTXZAHZSHUUHNI-IIYDPXPESA-N	241.378	4.522	0	10	BJAE	
N[C@@]1(C[C@H]2C=CCCCC2)CCC2(CCCC2)C1	2037271362	BFZGRPGPMLAQKO-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H]1C[C@@H](CC2=CCCC2)CCC1(C)C	2037871920	SQEAGFQXNFEXLY-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)CC1CC2(CCC2)C1	2038084427	ZICQOQYPSDDZTO-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCC[C@H]1CC1(C)C	2039439872	BGJQXRNTLNPQND-CAOSSQGBSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H](C)C12CCC(CC1)C2	2039865636	QOFLBBGBEAHPTB-HLUWQOEYSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CCCC2)CC1(C)CC1	2047017025	SMFHUDXAVQIIQI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCCN1C[C@@H]1CC12CCCCC2	2047028419	YHWWOGXHNXYADM-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1[C@H]2CCCCC[C@H]21	2048381479	FPVLSHSTIXEBHD-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc([C@H](N)CC[C@@H](C)CC(C)(C)C)c1	2050456668	TVEBYYCPMNGACB-GDBMZVCRSA-N	247.426	4.847	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C=CCC[C@@H]2C)CC1	2055570524	YPQSGYIHYMKHHW-VVLHAWIVSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)[C@@](O)(CC2CCC3(CC2)CC3)CCC1	2055600695	MLIRFTVOMABCNM-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1ccc(CF)cc1	2055668992	GSMCHAWWNDAVDB-ZBFHGGJFSA-N	249.373	4.927	0	10	BJAE	
NCC1(CC2CC(C3CCC3)C2)CCCCCC1	2056648255	MSVJFOPRSSXJLZ-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H](C)C1CCCC1	2056874056	SSPYWDIAEIGVGK-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C12CCC(CC1)C2	2059180786	NOOFCTCPQWUSIZ-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H]1CCC12CCC2	2059259201	MZUHFQXUDMSZBU-BYQDXSGLSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@](N)(C1=CC[C@H](C(C)(C)C)CC1)C1CC1	2061120294	WKRPHUORGQGIBM-SUMWQHHRSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C[C@@]12CCC[C@H]1C2	2061615950	HXISEHWCTSFKHY-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(OCC2CC(=C3CCC3)C2)c(C)c1	2061708050	YSDCCTKBNXJMNB-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC(C)CCCCC[C@H](N)C1CC(=C2CCC2)C1	2061730018	CXDUSAGZCIWNPB-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CCC2)C1)[C@H](C)C(C)C	2061736778	KIKSJIWXXAIYEU-DYVFJYSZSA-N	249.442	4.537	0	10	BJAE	
CC1(CC(=O)C2C[C@@H]3CCC[C@H]3C2)CCCCC1	2063404423	CPDXNPHJPZMJPO-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C2CC3(C2)CC(C)(C)C3)CC1	2063800724	TWJNCBQSHLXBJQ-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CCC(=O)C1CC2(C1)CC2(C)C)C1CC1	2064128606	ZUPASWWKWPIOAB-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2CC12CCC(CC1)C2	2065333793	WTAGKJUWUSDBPC-UUCFBXCCSA-N	241.378	4.556	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@H]1C[C@H]2C=C[C@H]1CC2	2066032982	ANLYSBBIUAPOFE-NXOAAHMSSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)C2(C)CCCC2)n1	2067546649	XDQKPABVCJEMPB-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
CC1(C)C[C@H]1CCCN1CCC12CCCCCC2	2070393005	OZGFJLRVEMDGEB-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1CCCC2(CC2)C1	2070406893	CNZBPSANZFQLSO-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@@H]1CCCCC12CC2	2070414090	QJGBHYCQLAYCTG-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccccc1OC[C@]12CCC[C@@H]1C2	2070918334	PDVRIKJMZNAVGK-CXAGYDPISA-N	244.378	4.553	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2C[C@@H]3CC[C@@H]3C2)CCC1	2071927194	XWIYIAZGCIRZFU-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](C)CC1)[C@@H]1CC=CCC1	2072793476	KHXDCVWULXSXNW-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1(CC)CC1)c1ccc(C)cc1	2074628855	JHMMOGYVYMRJKN-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)C[C@@]12CCC[C@H]1C2	2074653639	QFUGMAMDCOWOLS-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCCN([C@H](C)c2ccccc2)CC1	2074791753	XLGRMKLTLQMYQO-CVEARBPZSA-N	245.410	4.650	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2C[C@@H](C)c3ccccc32)C1	2074893224	SHPNZBUSQPXQIM-KFWWJZLASA-N	243.394	4.579	0	10	BJAE	
CN(CCC1=CCCCC1)C[C@@]1(C)C=CCCC1	2075145435	HHGCISUAPIJLCW-KRWDZBQOSA-N	247.426	4.555	0	10	BJAE	
CCCc1ccccc1CN(C)[C@H](C)C(C)(C)C	2075228529	DZZJLVQOBLDVMT-CQSZACIVSA-N	247.426	4.506	0	10	BJAE	
CC(C)c1ccc([C@H]2CCCC(C)(C)C2=O)cc1	2076436782	IZUAZAOEOZLCEH-OAHLLOKOSA-N	244.378	4.673	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@H]1CCCCC12CCC2	2077198170	YJKUXLUVPBTVQD-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1CCCC1)Nc1ccccc1C1CC1	2077264459	SIFCMHVDQAQNAK-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
c1ccc(C2CCC2)c(NC2C[C@H]3CC[C@@H]3C2)c1	2077264892	CZVJFZMHUKJVIS-ZIAGYGMSSA-N	241.378	4.555	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C[C@H]1C[C@@H](C)Nc2ccccc21	2079662227	UDEQGUAQWDRGBK-NYTXWWLZSA-N	243.394	4.657	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)C1CC(=C2CCC2)C1	2079855681	ZMFPXZSVOQDWGK-DZGCQCFKSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)C=CCCC2(C)C)C1	2082976732	TXJVBDMDSDANIL-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@H](NCCCCCCC2CC2)CC1	2213582302	GNPFSNWXAARAIR-KOMQPUFPSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)CCCCC1CC1	2214565319	MAJDIKNSPNZLBJ-HZPDHXFCSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CCCCC2CC2)C1	2214576113	ANLKUHBCAVTNPX-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC=CCCCn1c(C)cc2cc(Cl)ccc21	2214997922	DWWAZAPENSGTLE-UHFFFAOYSA-N	247.769	4.959	0	10	BJAE	
Cc1cc(C(=O)C2(C)CC3(CCC3)C2)sc1C	2215384685	LINBWHSEUJTFBS-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2CC[C@@H](C)C2)CC1	2215808937	YVZOPPKKBSYXCW-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
C[C@H]1CCN[C@@H](CCCCCCCC2CC2)C1	2216862804	MBARGIXPGMJAIM-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC1CC1)NCCCCCCCC1CC1	2216872411	MWKXOALPLPEOQP-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)CC1(CN[C@@H](C)CC)CC(C)(C)C1	2217124741	KATZTCXFASDXLS-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CC2C[C@H]3CCC[C@H](C2)C3)C1	2218357257	QDVMTHBQTUEONN-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@@](CNC2CCC2)([C@@H](C)C(C)C)CC1	2223605371	YBFCEHIOMSLGTR-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](N)c1ccc(C2CCC2)cc1	2223698583	SIYQEEOMHKVVSG-YATRRXNKSA-N	243.394	4.700	0	10	BJAE	
C[C@]1(C2CCC2)CCCN1CCCCCC1CC1	2223857005	KAFRCUPISDRYML-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)c1cccc2ccoc12	2224179913	GEXHTWGWMZBYRB-CQSZACIVSA-N	245.366	4.505	0	10	BJAE	
CCCCc1ccc([C@@H](N)C(C)(C)CC)s1	2242598657	HOYMHOIRTCSHET-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)CC(C)C	2244847710	RXXVPIBFSQBPML-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](C)(N)C2(C)CCC2)C1	2246723746	ASGUVXCGESYIMS-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CCC[C@@H]1CCCC12CC2)NCC	2247598829	ALBZNNVSFHKXBE-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
O=C(C[C@H]1CC=CCC1)c1csc(C2CC2)c1	2248074153	MITXSYYMTDWIPT-NSHDSACASA-N	246.375	4.555	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CCCC[C@@]1(C)O	2248807073	NDQFEBWEQRAEGH-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCSc1ccc(N)cc1	2248840098	LPJCIZOCJQWWCO-OLZOCXBDSA-N	249.423	4.577	0	10	BJAE	
CC(C)C[C@H](CN)CCCCCC[C@H]1C[C@H]1C	2248877764	HHXKZOFEJTUTNL-OAGGEKHMSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)[C@@H](CC)CCC	2250351315	BRMQBQDJIIAKLR-SSHXOBKSSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@]12CCCC[C@@H]1CC2	2251125027	KDQFCCAJALLKID-CJNGLKHVSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCCN[C@@]12CCCC[C@@H]1CC2	2251143851	ZWJDZPIKWUDHDX-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CCCCCCC2CC2)[C@@H]1O	2251708543	RQXDWFWURODFOZ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC1CC(CCC(=O)C[C@@H]2CCC[C@@H](C)C2)C1	2251761738	UWPFGPWDKHSUSL-FEWQNLEASA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(=O)c1ccc2ccsc2c1)C1CC1	2253129082	IMGKHDUKJTVKQT-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N(CC)c1ccc(F)cc1	2253416675	PVFJQWSEOXLMJP-BBRMVZONSA-N	249.373	4.621	0	10	BJAE	
O=C(C[C@@H]1CCCCC12CC2)C[C@H]1CC=CCC1	2253780685	IEXLCQNSRNRJRV-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
Cc1cccc2c1N[C@@H](C1CCCCCC1)CC2	2253852003	GGOBSHLPRRCVBX-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
Cc1cc(C(=O)CC[C@H]2CCC[C@@H](C)C2)c(C)o1	2253937302	HWLNUJOTCJENHO-BXUZGUMPSA-N	248.366	4.686	0	10	BJAE	
CC1=CC[C@H](CNCC[C@@H]2CCC[C@H](C)C2)CC1	2253963841	HUXKLZUJTKUVMZ-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CC(C)(C)C[C@@H]1C	2256141708	KGYSAHANMXSDPP-FZMZJTMJSA-N	249.373	4.625	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC2CCC=CCC2)CC1	2257921711	GEKHZEDDPTWLOF-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC2CCC=CCC2)CC1	2257921712	GEKHZEDDPTWLOF-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(CC1CC2(CC(C)C2)C1)C1CCCC1	2259574903	YZWJCNCLFBPZPS-DRRRZMAASA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@]23CCC[C@H]2CC3)CC1	2260561022	JEZXDQKGMMAKHC-LUKYLMHMSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@]12CCC[C@H]1CC2)CC1CCCC1	2260649494	XJAFPYPXEXMRBN-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](CCC2CC(C)C2)NC)CC1	2261491467	ZVAPHXPMXUNBLQ-CLKYRPBMSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CCCCCC1(C)C	2298882465	YZMMQSIMFTZLHV-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
CCC(C)=CCC(=O)[C@]1(C)CCCC(F)(F)C1	2300925659	FDWFVPDLQCNYQT-CYBMUJFWSA-N	244.325	4.518	0	10	BJAE	
CCCc1ccc(N[C@@H](C)[C@H](C)C(C)C)cc1	2301827219	ZTTNUKJRMUBWFV-KGLIPLIRSA-N	233.399	4.732	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)CCC1=CCCCC1	2301922921	FJKVIJPDNKXPEI-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
O=C(CCCC1=CCCCC1)CCCC1CC1	2302299904	HKGQHPCFLFKFBG-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](O)CCCCC2CC2)C1	2302575913	BDIWIJIIJHRWNT-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CCCCC1CC1	2302579966	ONGCOHDJBODRBV-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CCC(C)(C)C1)NC	2302674765	DUMQLWKDDILDSX-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCc1cscc1NCC1CC2(CCCC2)C1	2302885497	AYPNNLCGAVHFDV-UHFFFAOYSA-N	249.423	4.693	0	10	BJAE	
CCCNCCC=C(C)C[C@H]1CCC(C)(C)C1	2302895917	MSEIEVDDSZICTC-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H](C)CCC(C)C)CC1	2303468680	CQTOHBPCYTYKML-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCC[C@H](CC)C1	2307750802	YYBMWYNBYLHIME-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CN[C@@H](C[C@@]12CCC[C@@H]1C2)C1(C)CCCCCC1	2310890550	CQZYZBSZZZDSNK-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@H]1C[C@@H]1C1CCCCC1	2311610441	QXKBXAIUCNMXFZ-JJAZEVLHSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CCN[C@@H]2CC[C@H]12	2312598763	HNDVPTZZLSQFEY-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](N)(C[C@@]12CCCC[C@@H]1CC2)C1CCC1	2313345703	DWFNJZAOHFDXDA-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN([C@H](C)CC2CCC2)C1	2313608493	MGHWBNYZCWHFIN-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
CC(=CC[C@@]1(N)C=CC[C@@H](C)C1)CCCC(C)C	2316560451	QOCWMHONIXFQGE-SJORKVTESA-N	249.442	4.833	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Oc1cccc2ccccc12	2317830449	HTUURDDITAINHL-KBPBESRZSA-N	242.362	4.899	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)c1ccccc1C1CC1	2317836277	UDTZSKGONIQQIP-CHWSQXEVSA-N	244.378	4.675	0	10	BJAE	
C[C@@H]1[C@H](C2(N)CC3(CCCCCC3)C2)CC1(C)C	2318280478	RTVZQMKBSZTMQF-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
C[C@]1(C=CCCCCCCC2CC2)CCCCN1	2318819523	JJXOCZQNYZMMTK-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(N)CCCC3(CCC3)C2)C1	2319312890	NWVVROIRORMSBQ-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1CCCC[C@@H]2C[C@H]12	2319341040	NSULCIWJDSXURH-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2(C3CCC3)CC2)CC1	2320393091	BSRDJBZPYVLRRA-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)N[C@@H](CC1CC1)C1CC1	2320708053	LCYYTSCIUDKWTI-DOTOQJQBSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@](N)(C1CCCC1)[C@H](CC1CC1)C1CC1	2320773846	YPAUFPMWPJYQOF-IAGOWNOFSA-N	249.442	4.501	0	10	BJAE	
CCCCC1CC(N)(C23CC(CC(C)C)(C2)C3)C1	2321599882	WTCUHMLMSWNUJG-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@H]2CC23CCCC3)C1	2321602613	JKLJLTQQBQPSGF-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(CC[C@@H]2CCC(C)(C)C2)C=CCC1	2321628176	PQOJONOPBNXEQZ-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@]2(C)CC=CCC2)C1	2321639561	LYIHOWZKXPEDBP-RHSMWYFYSA-N	248.410	4.908	0	10	BJAE	
C(CCCC[C@]12C[C@H](CCN1)C2)CCCC1CC1	2326620858	ILMRWFLQGWDIPW-CALCHBBNSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)C2CC(C)(C)C2)c1	2327657280	KMFRRNUKWJTLFT-UHFFFAOYSA-N	244.378	4.737	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)C2CC(C)(C)C2)c1	2327680853	MQWJUBFUJTXFCJ-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CCCc1ccc([C@@H](NCC)C(CC)CC)cc1	35550723	XXAVFZMGNKKUPE-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCCCC[C@@H](NCCC)c1cc(C)ccc1C	35581585	AYFXHMUBLQVNBN-QGZVFWFLSA-N	247.426	4.924	0	10	BJAE	
CCSc1ccccc1N[C@H](C)c1ccco1	37779100	MSKGHDIBHPWQCQ-LLVKDONJSA-N	247.363	4.565	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](CC)CCCC	68986257	JEQCAKZCLUKUNG-ZIAGYGMSSA-N	213.409	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](CCC(=O)c2ccccc2)C1	80385216	LZIWDEUYPMPMGN-LSDHHAIUSA-N	244.378	4.866	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H](C)c2ccc(C)cc2C)C1	80457472	WXSWYZNJPRTAIM-ARFHVFGLSA-N	245.410	4.533	0	10	BJAE	
CC(C)c1ccccc1Nc1cc(F)ccc1F	82715538	LEUPWTQLXGJRJL-UHFFFAOYSA-N	247.288	4.832	0	10	BJAE	
Cc1ccc(C(C)C)cc1-c1csc(S)n1	83262092	KTQYJCAITUKYMG-UHFFFAOYSA-N	249.404	4.531	0	10	BJAE	
CC[C@H](NC1C[C@@H](C)C[C@@H](C)C1)c1ccccc1	84469256	NACBMADJVHZWCU-ADNJVRNUSA-N	245.410	4.552	0	10	BJAE	
CSc1cccc(N[C@H]2CC[C@H](C)[C@@H](C)C2)c1	84981230	XILNQYPBDNWIKB-OBJOEFQTSA-N	249.423	4.645	0	10	BJAE	
CC(C)(C)c1ccccc1OC1CCCCC1	85151773	PWRBSYARVNJFJF-UHFFFAOYSA-N	232.367	4.696	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1Cc2ccccc2N1	86649794	UWOACFOIDXZCIP-HIFRSBDPSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2ccc(C)c(C)c2)C1	87984615	HWKXRSFVYMMTFV-HUUCEWRRSA-N	244.378	4.703	0	10	BJAE	
CC(C)[C@H](N)C1CCCCCCCCCCC1	92598407	CIZGISKYKPBQLT-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
Cc1cccc(C(F)(F)F)c1-c1ccccc1	102294089	UIEZHKQCXMVAGO-UHFFFAOYSA-N	236.236	4.681	0	10	BJAE	
CC/C=C\[C@@H](C)Cc1c(F)cccc1Cl	107504978	KNZXTPDDNPHNAR-AYYIZTPMSA-N	226.722	4.624	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)CC1CCCC1	109704158	XSTTWPLXQNZTLF-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)c1ccccc1C	109725499	JVIBATMETUOFCN-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCc1ccc(C(=O)C[C@H](C)C(C)(C)C)cc1	111646358	OSSBBICJGXHDBZ-LBPRGKRZSA-N	232.367	4.504	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccc(C2CCC2)cc1	125610089	NLSINWUNQJDTPP-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
Cc1cccc2c1ccn2CC1CCCCC1	128833191	VSFKRWRLKOKQOO-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCCC[C@@H](CC)[C@H](C=C(C)C)NCCC	131050052	WSKJMMOXEWUOHP-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
Cc1cc(C)cc([C@H](C)Nc2ccccc2F)c1	132420210	OZORJOXYBPCDHA-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCCC[C@@H](CC(CC)CC)NCCC	133415875	LORXMIDDMBEYBN-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C(CC)CC	161436718	NKTQNKWQZYBDNK-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1ccccc1C(C)(C)C	162502411	LONPHWIWCKJVKX-CZUORRHYSA-N	247.426	4.681	0	10	BJAE	
Brc1ccc2c(c1)C=C1CCCC[C@H]12	196189432	HAAJNHDQGZHFIF-GFCCVEGCSA-N	249.151	4.504	0	10	BJAE	
Cc1csc2ccc(C(C)(C)C)cc12	197328131	AGSUPZIRPNCDQL-UHFFFAOYSA-N	204.338	4.507	0	10	BJAE	
Cc1ccccc1N[C@H]1CCCC[C@@H]1C(C)C	214434460	SKBHMKKNGLPKJY-ZBFHGGJFSA-N	231.383	4.622	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCCC[C@H]1C(C)C	214575739	OPBGRTMMNQZFED-BBRMVZONSA-N	249.373	4.761	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@@H](C)CC[C@@H]1C)c1ccccc1	222053076	MPJVGXCPNPSNIQ-NXNVCVFFSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc([C@@H](O)[C@H]2CCCCC2(C)C)c(C)c1	226653521	RCRSRCOSAYQKNO-HZPDHXFCSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC[C@@H](CC)C1	227227114	JZGMUYLRYRCXAH-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)CC2CCC2)c(C)c1	229690263	BNOFCXFQZXRXDN-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
CCCCCC[C@]1(N)CCC[C@H](CC(C)C)C1	230788558	YJFFQKQEOXOIGL-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](N)c1cc2cc([C@@H](C)CC)ccc2o1	232359599	LVYZGEPELIGKNF-SMDDNHRTSA-N	245.366	4.746	0	10	BJAE	
CC[C@@H](N[C@H]1CC[C@H](C)CC1)c1ccc(C)cc1	253140631	WRQZGBZPICDBFZ-DJIMGWMZSA-N	245.410	4.614	0	10	BJAE	
CC(C)Sc1ccc(C(F)(F)C2CC2)cc1	258934752	BIACBUNBHRDMQJ-UHFFFAOYSA-N	242.334	4.689	0	10	BJAE	
CCN[C@H](C)[C@H](CCC1CCCCC1)C(C)C	302283416	VKACSZQNWUIANL-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](c1ccccc1)[C@H](C)CCCC(C)(C)C	302317759	PYXOXZFIBQICER-ZBFHGGJFSA-N	247.426	4.800	0	10	BJAE	
CC[C@@H](N[C@@H]1/C=C/CCCCC1)c1ccccc1	302332927	DGNLHSHUZZUFEA-WZFZXHKMSA-N	243.394	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](O)(CCC)C1CC1	304333250	NUPXTLKFSDFZIZ-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC(C)CNCCC(C)(C)CCCC(C)(C)C	305966101	XVDDCVPVKMKQQB-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
CSc1cc2scc(Cl)c2cc1Cl	307278908	VQEGDPWZGODLGH-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1ccsc1Cl	308354462	KPBVQOFCJZVEME-LLVKDONJSA-N	246.803	4.651	0	10	BJAE	
CCc1cccc(N[C@H]2C=CCCCCC2)c1	310062743	MMWMQJIBLFGBLW-HNNXBMFYSA-N	229.367	4.550	0	10	BJAE	
C[C@@H]1CC=C(c2ccc([C@H](C)N)c(Cl)c2)CC1	310223906	NUPFBTWPRHDWKP-MNOVXSKESA-N	249.785	4.563	0	10	BJAE	
CC1CCC(CC(=O)CC2=CCCCC2)CC1	310251494	OCFMWAUEGSSUFX-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](N[C@@H](c1ccccc1)C(C)C)C1CC1	310739874	DKTWMHGDAFRDMY-DLBZAZTESA-N	245.410	4.552	0	10	BJAE	
C[C@@H]1CC[C@@](CNC(C)(C)C)([C@H]2C=CCCC2)C1	317766223	BXXNWIGWXKUVOF-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@](CNC(C)(C)C)([C@H](C)CC)C1	318092475	XQNXTWONZHJWMF-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CCCC1(CNC(C)(C)C)CCCCCC1	318282693	JYVFLFCOSIADHS-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)CC)CC[C@@H](CC)C1	318508442	XVJHONLAHACMJJ-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCCc1ccc(NC[C@H](C)C(C)(C)C)cc1	379740844	LKLXNOBIRZWBJR-ZDUSSCGKSA-N	233.399	4.733	0	10	BJAE	
CC(C)(C)c1ccc(NCCCCCF)cc1	379905195	IVEYCXBHTSRYMW-UHFFFAOYSA-N	237.362	4.536	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1CCC[C@@H](C)C1	381105725	YUPHHNLZUAYMDU-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](NCCC1=CCCCC1)C1CCCCC1	385107041	CEDQGCVVZNSCCJ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCC(CCC)N[C@H](C)CCC(C)(C)C	386260621	MQTRIPIBCUEWEN-CYBMUJFWSA-N	227.436	4.760	0	10	BJAE	
CCC[C@H](Nc1ccc(C(F)F)cc1)C1CC1	386289880	HQQWSPUTVYIFPT-ZDUSSCGKSA-N	239.309	4.615	0	10	BJAE	
CCC[C@H](CCCC1(C)CCCC1)NCC	390673473	WIDPTAIAIWKUGY-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](NCC[C@H](C)CC)c1ccccc1	394466927	YGZDHRJJEYATFQ-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CCCCCC[C@H](O)C1(C)CCCCCC1	394623435	ZBLRDUXJIMIAFX-AWEZNQCLSA-N	226.404	4.678	0	10	BJAE	
CC(C)C[C@@]1(CC2(C)CCCCC2)CCCN1	394672311	OQJROJXMDMOVGR-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CCCC1=CCCCC1)CNC(C)(C)C	395317833	JXYTVAPSFRLXKO-AWEZNQCLSA-N	237.431	4.681	0	10	BJAE	
CCOc1cc(Cl)c2sccc2c1CC	396197954	ZUDMPNGDQMNYKP-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@H](C)C(C)(C)C	399330542	UVBGFGJMWPKXGS-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CN[C@H](C1=CCCCCC1)c1csc(C)c1C	399916898	YKAGKWJPWDMCJH-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1Nc1ccsc1Cl	691036629	FBIRVOGJJCSRLJ-UWVGGRQHSA-N	243.803	4.782	0	10	BJAE	
CC1(C)CCC(CCC2CC=CC2)CC1	692095824	UOVNMXUYSVCCPS-UHFFFAOYSA-N	206.373	4.949	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@H](C)C1CCC1	692685411	QLTKMLBWBWNKTO-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@H](C)C1CCC1	692730217	IFUCBJJWBORCII-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@]1(O)CCC[C@@H](CC(C)C)C1	697598050	HTQUGHRCWHFRRZ-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)C1(C(C)C)CC1	697625862	INUUZUPXCBUHPJ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)[C@]1(C)CC1(C)C)C1CCCCC1	702198297	PPQKTQZVLHJANH-LRDDRELGSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)C[C@@H](C)CC(C)(C)C	709100991	AQWGDLFZLVSGNW-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1CCC(C)(C)C1	709194960	AABNCTJAPWUTDM-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CN[C@@H](c1cccc(C(C)(C)C)c1)[C@@H](C)C(C)C	709478841	AUPVNGDNQAHZOY-XJKSGUPXSA-N	247.426	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@@H]1CCCC2(CC2)C1	709981552	YWBYSVUNGVICRH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C23CCC(CC2)CC3)C[C@H]1C	710324283	SFQWFNRZWXQTGP-XDFMGDNLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H](C[C@H](C)C(C)(C)C)C1	710753706	NNRSPXLAVUQIHK-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C\CCC(=O)[C@@H](CCC)CC(C)C	713685355	PCWQGAKQFFNEDO-DANTVBBOSA-N	222.372	4.540	0	10	BJAE	
N[C@H](CC1CCCC1)[C@@H]1CCC[C@H]2CCCC[C@H]21	714475981	QNBSJZNNZGYATE-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CC/C=C/C[C@@H](C)c1ccc(CC)cc1	714560482	MBOUBFGYPMROPP-KTRBRXNASA-N	202.341	4.709	0	10	BJAE	
CCC(CC)C1(CNC(C)C)CCC=CCC1	718081592	DFOORMUXPBCJRA-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC/C(C)=C/CCNC(C)(C)C	718623982	JOKHTBAYMOVZCD-NTEUORMPSA-N	237.431	4.847	0	10	BJAE	
CC(C)=C(C)CCc1c(F)ccc(F)c1Cl	718718014	ALERQBDRTPJMDE-UHFFFAOYSA-N	244.712	4.907	0	10	BJAE	
CCCNC[C@](C)(CC)CCC(C)=C(C)C	718748231	OGHNIFFXNUGCSR-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1ccccc1C(C)(C)C	723128872	NSQDTVBQCNTYEA-QWHCGFSZSA-N	244.378	4.603	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCCC2(CC2)C1	723568423	KAAMNUBFDYWITA-HNNXBMFYSA-N	243.394	4.692	0	10	BJAE	
C[C@H]1CCC[C@H](CSc2cccs2)C1	1165536590	AASUXMNTGBRKDK-QWRGUYRKSA-N	226.410	4.667	0	10	BJAE	
C[C@H](N[C@H](C)CC(C)(C)C)[C@H]1CCC[C@@H](C)C1	1182387512	GLZNHAOMCJXQQN-KBXIAJHMSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CCN(C[C@@H](C)C(C)(C)C)c2ccccc21	1459714163	DFRRVAXKLVIHCE-UONOGXRCSA-N	245.410	4.682	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@@H]1CCC(C)(C)C1	1658515407	BPPLNUCSRUIVQG-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)c1sccc1CNC(C)(C)C	1901894041	CFXWPQZSTUGSOX-UHFFFAOYSA-N	239.428	4.540	0	10	BJAE	
CCC[C@H](O)CCCC[C@H]1CCC(C)(C)C1	1903403220	IUHRZBYHMDNOLO-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@](CC)(CO)C[C@@H](CC)CCC	1905386046	DGGHRFRTZKLRSW-LSDHHAIUSA-N	228.420	4.782	0	10	BJAE	
CCC[C@@H](CC)CC(C)(C)C[C@H](C)NCC	1905445080	ORKUKEMNTINCLA-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1CCC[C@@H](CC)C1	1919973527	IGHFGQAYCSZGAE-OAGGEKHMSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C1CC(CC)C1	1921261634	LEMANIWAIQWEET-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@]1(CCC=C(C)C)CCCC12CCC2	1921656404	GLUIWPBSIVHRCU-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1CC[C@@H]2C[C@H]2CC1	1925803648	UVYZBSUCQWIAED-FVQBIDKESA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H](CCC)c1cc(Cl)sc1C	1933586956	IMHLZXQOVAJZPD-LLVKDONJSA-N	245.819	4.551	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)C[C@H]1C=CCCC1	1947551115	BYXBWRFMCTWBEQ-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
CC1(C)CCC(C(=O)[C@@H]2CCC(C)(C)C2)CC1	1949497520	RKULHLISPOXYHL-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)C(=O)[C@@H]1CCC2(CCCC2)C1	1949501348	LTVUQVVBOYPMDX-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H]1C[C@H](CCCC(C)C)CCC1(C)C	1949663713	YSQVWRSPDBVFOQ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](CC1CC(C)(C)C1)NCC	1949735901	IQLYBAHKONMHQG-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@H](N)CC1CCCC1	1949861102	BXEDJYCDYXYFQP-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)[C@H]1CCCC(C)(C)CC1	1950918013	ICBMAXWDKHHKAU-ZQDZILKHSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1cc(Cl)ccc1Cl	1959209534	OROANNWIKBIAEO-LDYMZIIASA-N	244.165	4.594	0	10	BJAE	
C[C@H]1CCC[C@@H]1Oc1cc(Cl)ccc1Cl	1962569442	JZXGEDFYLFZCFA-KWQFWETISA-N	245.149	4.561	0	10	BJAE	
CCC1(CNC2C[C@@H]3CCCC[C@H]3C2)CCCC1	1965923081	LPJBQWIEMNJZSI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC[C@@]2(C)C=CCCC2)C1	1966038329	SEFYIVFDIMWVRO-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2C[C@H]3CCCC[C@@H]3C2)CC1	1967703939	YOBLBDFLTDXECE-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)CCCC(C)C)c1	1968230824	WRJPYUOBFDIKJN-OAHLLOKOSA-N	233.399	4.930	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CCC[C@@H](C)C2)cc1	1968269821	GAAINJSJVAFDIX-CABCVRRESA-N	232.367	4.590	0	10	BJAE	
CCCCc1ccc(NC2CC3(CCC3)C2)cc1	1968294577	KLPUPCHOWDGQBF-UHFFFAOYSA-N	243.394	4.774	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@H]1CC(C)C)c1ccccc1	1968550303	XSCAYSCAZNQXLQ-ULQDDVLXSA-N	245.410	4.552	0	10	BJAE	
CC[C@H](NC1CC[C@H]2C[C@@H]2CC1)C1CCCCC1	1973358067	IFKFFZPOADOWPV-ZOBUZTSGSA-N	249.442	4.514	0	10	BJAE	
CC(=O)CC(C)(C)C[C@H]1CCC=CCCC1	1978284161	TZGCYGIWXHMNNQ-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
C1=C[C@H](C[C@@H]2[C@H]3CCCCC[C@H]32)CCCC1	1980111174	ZZLXPAKKQJOFEF-CAOSSQGBSA-N	218.384	4.949	0	10	BJAE	
CCCC[C@H](C)[C@H](CC=C(C)C)NCCC	1981002966	WAOXIPWYPJEASA-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](CCC(C)(C)CC)C1	1982567910	UTQBEGMLFGANCU-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCC[C@](C)(CCC)CNC(C)C	1984634502	GXSBLVOSRUDZKN-VFADXPBXSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(F)Cn1ccc2cccc(Cl)c21	1989654263	XTWLCMQMAIIVLR-UHFFFAOYSA-N	237.705	4.558	0	10	BJAE	
Cc1ccc(Cl)cc1CC1CC(=C2CC2)C1	1993483361	LYGROLANCTYLEQ-UHFFFAOYSA-N	232.754	4.691	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@@H]1CCC[C@H](CC)CC1	1997107860	FEBRXIHHUGGGEJ-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC1CC(C(C)(C)C)C1	1998262821	MMAVWFNZTYQJOY-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CC=C[C@H](C)N[C@@H](C)C1CCC(CCC)CC1	2002923472	GKFPFKQZLGLQHY-FXQLRMTLSA-N	237.431	4.536	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1CC(C(C)C)C1	2007759761	MXGRCPDSKQCLBQ-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CCC2CCCCC2)CC1	2009411958	UMXXFUJITHBXRI-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C(CC)(CC)CC	2009616038	FOFPBCNRIXERDO-KDHUCADRSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@@H]1N[C@@H](C)C[C@@H]1C(CC)(CC)CC	2009773758	WYCSLBISGNUFBI-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCCCCC1CC(N)(C2=CCCCCC2)C1	2009792469	ZQBYEJJLVZLMML-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)c2csc(C)c2C)CC1	2010743720	NZNXSTNGYKEQFP-SWLSCSKDSA-N	249.423	4.501	0	10	BJAE	
CC[C@](C)(CCC[C@H]1C[C@@H]1C)CNC(C)(C)C	2011575772	FZGSOBDHEJFASM-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@@H]1CCC(C)(C)C1	2013271207	PPVCDXJBVPZUHD-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H](C)C2CCCCC2)N1	2013520960	AASPWMMEKHSUJJ-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CN(C)C1CC(CC(C)(C)C)C1	2014609076	QTLOEJRTSGXRNQ-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@H](C)CC1(O)CC2(CCCCCC2)C1	2015285014	SECUFCMPQTWFKC-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)C[C@](C)(N)C1CCC(C)(C)CC1	2015410605	DEJNPQSOFHUMFS-BBRMVZONSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CC12CCC2)CC(C)(C)C	2015517439	DHNLLAFQXBWHMJ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H]2C[C@@H](CC)CC[C@H]2O)CCC1	2015632185	JPKSPRCINOVYGL-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@H](C)CC(C)C)CCC1	2015643706	FRYQFQMHXXBSOJ-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@@H]1C)C(C)(CC)CC	2016456013	KHGSPGUHEVHSPJ-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](CCCCCC(C)C)NC	2016847808	LMOKFIBJEYECKK-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2(C(C)(C)C)CCC2)C1	2017098940	ZVGATYIUEMHLTD-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)CC1(C(C)C)CCC1	2017114320	KOCGVYOZPUNINM-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC)C1(C(C)(C)C)CCC1	2017131838	VVPXZKYEWWSBEV-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(CC[C@H](N)CC2(C(C)(C)C)CCC2)CC1	2017142758	IIMNYNYZLPZEKZ-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@](C)(N)[C@H]1CCC2(CCCC2)C1	2017805329	CUPVDKLRATWXGD-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1CCCC[C@@H]1CC	2018132289	SJXHWXOSQKXJNU-ARFHVFGLSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@H](C)[C@@H]1CCC[C@@H](C)C1	2019384890	KHOTURFRAXUHDP-LYYZXLFJSA-N	239.447	4.568	0	10	BJAE	
CCCCCC[C@@H]1CCCC(C)(C)[C@@H]1NCC	2020360425	GAZRYBUCVVNUNC-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(-c2ccc(Cl)cc2C)ccc1O	2020680000	ZFUUSESFXDLULU-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
CC(C)c1ccc(N[C@H](C(C)C)C(F)F)cc1	2021006606	VYWRVXKYNDISHU-CYBMUJFWSA-N	241.325	4.512	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1C[C@@H]1CCC)NCC	2022485816	UOVSODPHMZKDBL-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1C[C@@H]1CCC)NCC	2022486279	MGJGWNOAIUGJOY-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C(C)C)C2)cc1C	2025572048	MZIPWCOLJNJNPJ-GOEBONIOSA-N	231.383	4.540	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N(C)CCCC(C)(C)C)C1	2025615101	RSSURJHZCVZGHX-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C1=CCCCCC1	2026166500	KFJMWHTYPAGRFV-GOEBONIOSA-N	237.431	4.811	0	10	BJAE	
C[C@@H](CC(=O)c1ccc(C(C)(C)C)cc1)C1CC1	2027624483	ISNYHCUSGPAPME-LBPRGKRZSA-N	244.378	4.603	0	10	BJAE	
Cc1cc(C)cc(C(=O)CCC[C@H]2CC2(C)C)c1	2027844222	XVIKNJQMFUZNIV-HNNXBMFYSA-N	244.378	4.703	0	10	BJAE	
CCCCC[C@](C)(O)c1ccc(C2(C)CC2)cc1	2028609492	OIJRMBZESKRJJY-KRWDZBQOSA-N	246.394	4.526	0	10	BJAE	
C1CCCC(NC[C@@H]2C[C@@H]3CCCC[C@H]32)CCC1	2028776863	YFEDMWYFLCSNTM-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC1CC[C@@H]2C[C@H]2CC1	2028973793	XMCUQKUNMFBNTM-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)[C@@H]1CC12CCC2	2032132686	RGRVEZZSHYFEHA-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CNC2(CCCC2)[C@H]1C1(C)CCCCCC1	2033534778	KKCONVONHNSVET-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@]2(N)CCCCC23CCC3)CCCCC1	2035922061	VXWFVOPFHDIALS-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C1CC(C)(CC)C1	2036488010	ZWBHUFZUKCIGJI-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](n2ccnc2C2CCCC2)C[C@H]1C	2036775401	DUOBMHFWROPVLU-NFAWXSAZSA-N	246.398	4.538	0	10	BJAE	
CCC1(C[C@@]2(N)C[C@H](C)CCC2=C(C)C)CCC1	2037104517	OVUPSXIJAYHXET-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(N)CCC12CCCCC2	2037178948	CZCDXWMFKJSAPJ-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@@H]1CCCC1CCC1	2037222785	CESZSGMYMGPDOF-DZGCQCFKSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CC(CCN[C@@H]2CCC23CCCCC3)C1	2038097771	ZYKPKNMEACZKKO-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)[C@H]2CC23CCCCC3)CCCCC1	2039008598	JBWAOHWEEUGGBJ-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1CC12CCCCC2	2039078510	ITISMZOOPZPBGM-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(CC[C@H]1C[C@@H]1C1CC1)C1CCCCC1	2040652502	ZQHIRKVIPFHRDX-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]([C@@H]1C=CCCC1)[C@@H]1CCC(C)(C)C1	2043189065	YCGZFBNQPUDTOH-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NC[C@H]2CCC=CCCC2)c(F)c1	2045330851	ZMFJSKHCPGKYNL-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
C[C@H]1C[C@H](CC2(CF)CCC2)Nc2ccccc21	2046907858	GSXPUJLEVBTHAP-QWHCGFSZSA-N	247.357	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C[C@H]2CC23CCCC3)C1	2047064046	BHQQNQINNXEVFS-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)C[C@H]1CCCC2(CC2)C1	2049861227	UFIRHQDZYMPOFX-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@]1(C)C=CCCC1	2049997777	QAWCONUKIQJOLY-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
Cc1cccc(C(=O)CCCC[C@H]2CC2(C)C)c1	2050457220	AAGIHPXPOWCQNE-HNNXBMFYSA-N	244.378	4.784	0	10	BJAE	
CCCNC[C@]1(CCCC2CC2)CCCC12CC2	2053358469	QHKSYIVZDAVLGR-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCNC[C@]1(CCC2CC2)CCCCC12CCC2	2053362229	YWCMYNSXDHOQIE-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
Cc1c(C(F)F)cc(Cl)cc1C(F)(F)F	2054886821	AXTXIIHCWJYEOR-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@H]2CCC3(CC3)C2)CC1	2056560125	YXCCWNQWFIUJGR-LVDPKSTMSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1=CCCCC1)C1(C)CCC(C)CC1	2056560195	ZIEDODLEXBKPOI-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCC)c1cc(C)ccc1C	2059257365	WXGWXZXIKJZSKP-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CC1(C)CC2(CC(NCCCC3CCCC3)C2)C1	2061132865	LYBHSENOQPVCLB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC[C@H]1C[C@H]1C)CC1=CCCCC1	2062645508	GBYKTMBFZIHRKK-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](Nc1ccc(CF)cc1)c1occc1C	2063682743	ZWWHLMBKQPQUKU-CQSZACIVSA-N	247.313	4.621	0	10	BJAE	
CC1(C)CC12CC(CN)(CCC1CCCCC1)C2	2064007890	MUFPLMVSVCDSPN-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
C1CCCCN(C[C@H]2CC23CCCC3)CCCC1	2065850519	NKNFJISPMSYVLT-MRXNPFEDSA-N	249.442	4.613	0	10	BJAE	
NC1(CCC2CC2)CCC2(CCCCCC2)CC1	2065894806	QRUQHJZDJKZHBC-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCCC1(C[C@](C)(N)C23CCC(CC2)C3)CCC1	2069340562	WOAJCDNZLLVCMO-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@]23CCC[C@@H]2C3)CC1	2070971896	PQBKRNXSIQFOPG-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CC1(CCN[C@H]2CC[C@@H]2C2CCC2)CCCCC1	2071785359	GZPRCVQSTUCXPZ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@@]23CCCC[C@@H]2C3)CCC1	2071946357	PASWGHWKVIJQDG-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@]12CCCC[C@@H]1CCC2	2072419616	NNIMAHLBESFTJJ-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC(=O)c2ccco2)CC1	2072876948	CINLCJIQIZIPFN-HDJSIYSDSA-N	248.366	4.849	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H]2C=CCCC2)CC1	2072878347	NBBSQUMUHPBITO-JYJNAYRXSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C23CCCC2CCC3)CC1	2072880164	UQBMORSQVGWXKO-GZRJIHOHSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@](O)(CC)Cc1cc(C)cc(C)c1	2073342598	QVZFRGNRVGDXQS-QGZVFWFLSA-N	248.410	4.567	0	10	BJAE	
CCCN[C@H](C[C@@]12CCCC[C@@H]1C2)C1(CC)CC1	2074025539	OZCBNYXPUDIPFV-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H]1CCNC2(CCCCC2)C1	2074139635	UBEMMFYZBITMJM-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@]2(CCN2[C@H]2C=CCCCCC2)CC1	2074801530	GSAIZDBLDCDRQA-YESZJQIVSA-N	247.426	4.530	0	10	BJAE	
C[C@@H](C1CCC(C)(C)CC1)N(C)CC1=CCCC1	2075173052	PUJAHZYWDVDAIL-AWEZNQCLSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccccc2C2CC2)[C@@H]1C	2077263871	FVSCILIQXIPVPJ-IOASZLSFSA-N	243.394	4.801	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1C[C@@H]1C1CCC1	2079304341	UDJFANZHNIYJHT-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C[C@H]2C2CCC2)CC1	2079423620	ICBLIDPWEFRKHB-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC(N[C@H]2C[C@@H]2C2CCCCCC2)C1	2079537074	OSJADZPXHJGFBO-GMRIPVOYSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](O)(c1cccc(C(C)(C)C)c1)C(C)(C)C	2083545387	HZJNAIKUQLZSMY-QGZVFWFLSA-N	248.410	4.628	0	10	BJAE	
CCCC1([C@H](O)c2cccc(C(C)(C)C)c2)CC1	2083550802	QZWYWSSAGIAXEU-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
c1cc2c(c(-c3ccc(C4CC4)cc3)c1)CCCN2	2088998544	UVPIPYXVCBFKRM-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NCCCCCCC1CC1	2213575385	FQEWLYZLPSNGGX-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
O[C@@H](CCCCC1CC1)CCC1CCCCC1	2214570950	UDBGBNDQCAGGMQ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@](O)(CC[C@H]1C[C@@H]1C)CC1CCCCC1	2215294812	SDJSWQWACYGOAK-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)C1(C(C)(C)C)CCC1	2215344912	GHXHOAYVCBHGNL-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)CN(C)CC1(C)CC(C)(C)C1	2215440910	DEMFLVZBNDDROH-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC2CC(C)(C)C2)CC1	2215824333	RSIRKDUEDRHELZ-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCC[C@@H](C(C)(C)C)C1	2216253525	SKXWCFXBTNCPKW-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H](C(C)(C)C)C1)C(C)C	2216257731	MRRHIEKUFSGHEK-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1C[C@@]1(C)[C@H](N)CCCCCCCC1CC1	2216875870	VNOKKXIADLMIQX-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NC[C@@H](C[C@@H](C)CC(C)C)C(C)C	2217146097	WDEYKCDBTPDLOB-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](C)C1(CN[C@H](C)CC)CCCCC1	2217152417	DTUFDKMPESJRJI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218384476	DWGNHYALGYYINY-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218385688	OFJNQXOMTZCKCE-CQJMVSDSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](NCC1(C)CC2(CCC2)C1)C1(C)CCCC1	2220948633	KGPBEKNRMHWSLZ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@H](N)CC1(C)CC(C)(C)C1	2221082397	AGRMQUXYONZWNJ-KFWWJZLASA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@]1(C)CC=C(C)CC1	2221628736	DCHSVFRCYCKXPQ-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
C(CCCN[C@H]1C[C@@H]1C1CCC1)CCCC1CC1	2223157484	DUFCCGQWZDNTMC-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1ccc(C2CCC2)cc1	2223682157	XOXQMJUTJIKQIL-CHWSQXEVSA-N	244.378	4.819	0	10	BJAE	
CCCCC[C@](N)(CC)c1ccc2occc2c1	2224168709	BJWPVQRCZQJRKV-MRXNPFEDSA-N	245.366	4.577	0	10	BJAE	
CC(C)C1(C(=O)CCCC[C@@H]2C[C@@H]2C)CCC1	2247159461	NIFZASGGVFOQTH-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCC1([C@H](O)CCCC[C@H]2C[C@@H]2C)CCCC1	2247165683	RNRAQKPAHUNSSN-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCC1CC(C(=O)CCCC[C@H]2C[C@H]2C)C1	2247174573	WORMWQGXHWAZAS-JLVJUDLZSA-N	236.399	4.598	0	10	BJAE	
N[C@H](CC1CCCCC1)c1csc(C2CC2)c1	2248044037	GMUCKXMOVZDBMI-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
N[C@H](C=C1CCCCC1)c1csc(C2CC2)c1	2248044836	OZRQDOVNBVJYRK-CQSZACIVSA-N	247.407	4.516	0	10	BJAE	
CC[C@](CN)(CCCCC[C@@H]1C[C@H]1C)C(C)C	2248846570	ULIPSSRLKKFDKI-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
CC[C@@H]1CC[C@](O)(CCCCC[C@H]2C[C@@H]2C)C1	2248871782	QTTZXLZLQBGGHD-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CCCCC[C@H]2C[C@@H]2C)C1	2248879242	LSDYJHNEISLRJJ-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1(C(=O)CCCCC[C@@H]2C[C@H]2C)CC1	2248880902	VHCDPXPIDKLZSX-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCc1cccc(C(=O)[C@H](CC)CCC)c1	2250354513	DNRYKTHNMTUILO-CQSZACIVSA-N	232.367	4.648	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)C1=CC[C@H](C)CC1	2250362556	VSBRZHZZAZIWHY-DZKIICNBSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@@]12CCCC[C@H]1CC2	2251122442	DCHWBFDXVKYSFQ-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
N[C@@H]1CCCCC[C@H]1CC[C@@H]1CCCCC12CC2	2253820451	KWFGFIGBQRYJNZ-HRCADAONSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNCC[C@H]2CC=CCC2)C1	2253950789	GINARMTZYQDRGW-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
Cc1ccccc1[C@H](N)CCCCC[C@H]1C[C@H]1C	2254529364	HFEXXXRHEMHZRX-HLLBOEOZSA-N	245.410	4.601	0	10	BJAE	
CC1(C)CC[C@@H]1CNc1ccc(C2CCC2)cc1	2254960741	KOQSHBYNAAXKLT-OAHLLOKOSA-N	243.394	4.802	0	10	BJAE	
CC(C)(NC[C@H]1CCC12CCC2)C1CCCCC1	2254980338	SVTQCDARXWQHSD-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1CN[C@H]1CCCC2(CCCC2)C1	2254982102	WTJNJYUIBMPZFK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@H]1CCCC12CC2	2255247828	SHPQEHNVJPCECS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCCC(C)(C)CC1)[C@@H]1CC12CCC2	2256448937	UUDFTZNJIZTSFH-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@@H](Cc2cccc(-c3ccccc3)c2)CC1	2257564720	WJNHCOHLDDPVNT-OAHLLOKOSA-N	234.342	4.862	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)c1ccccc1	2259622794	AKVOECNTWHYNBS-WBVHZDCISA-N	247.426	4.929	0	10	BJAE	
C[C@H](CC1CCCC1)NC[C@]12CCCC[C@@H]1CC2	2260552615	KGRVYKYJIQRVKI-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@]12CCCC[C@@H]1CC2	2260591188	JVBROVSRWFFSJK-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C(=Cc1ccccc1)Cc1cccc(CC2CC2)c1	2273756600	SJXRYTAKLZRWEZ-UHFFFAOYSA-N	248.369	4.895	0	10	BJAE	
CCC(CC)CC[C@@]1(CO)CCC[C@H](C)CC1	2300688391	MRKAQTRRXCYTSB-GOEBONIOSA-N	240.431	4.782	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCC[C@@H](CC)C1	2300705706	HERVTJLYGWSCAF-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@@H](O)[C@H]1C[C@H]2CCC[C@H]1CC2	2301051733	YRNANHPICLOSQF-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](N)CCC1=CCCCC1	2301907584	KKBXPFBGXGAFRT-OFQRWUPVSA-N	237.431	4.523	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)CCCCCCC1CC1	2301915639	STJDGKUSZYXSFL-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CN(C)CCCC1=CCCCC1	2302339910	CWHKSUIWAGJHAU-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CCC(C)(C)C1)NC	2302674764	DUMQLWKDDILDSX-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CN(C)CCCC1(C)CC1	2303260682	WMCZHWCLDFXJIC-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C(C)(C)C2CC2)CC1	2303593894	ARGKYWHGOQUDSL-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]([C@H](N)CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304438928	ZMKUTPLACUXJEJ-MELADBBJSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC[C@@H]2CCC(C)(C)C2)N1	2304440711	VQBLNRYVCFUZPV-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CCCC[C@@H]1CC	2307875452	ILHBXAPTJRFNFT-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)CC1(CO)CC2(CCCC2)C1	2307879632	SFRNCRPLXAYVAD-CQSZACIVSA-N	238.415	4.536	0	10	BJAE	
CN[C@@H](CC[C@@]12CCC[C@@H]1C2)CC1CCCCC1	2310375354	VXZYLGZIZNSTGB-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@]12CCC[C@@H]1C2)NCCC	2310387533	YUGOEUSMTULHNW-NVXFWENBSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@@]1(CCC[C@@H]2C[C@@H]2C)CC=CCC1	2310434435	PZAGAMLCOUPFLZ-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CC)C1=CC[C@H](C)CC1	2310963698	ZXNLJSGTIHZELU-FSDCSDTHSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H]2C[C@H]2C2CCCC2)CC1	2311610331	MWGUXZZETAWORT-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CCN1CC[C@@H](C)c2ccccc21	2316263149	AWPQDZPSKWLWER-CQSZACIVSA-N	245.410	4.827	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317144334	XEYFSTQHIOVNFK-RBSFLKMASA-N	248.410	4.620	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CC[C@H]2CCC[C@@H]21	2318551575	QNOLPEMTTGHDJM-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1cc(F)ccc1C1CC1	2319170714	GRRBMNROCNSZQN-OAHLLOKOSA-N	249.373	4.529	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C[C@@H]2CCC23CCC3)C1	2319292491	GDFXQTKLXBURCB-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCCC[C@@H]3C[C@H]32)c(C)c1	2319350144	SAHPVRVCNGDWRB-BZUAXINKSA-N	243.394	4.602	0	10	BJAE	
CC1([C@@H](N)CC[C@H]2CC[C@H]2C2CC2)CCCCC1	2319735466	XGGNLYURFSWQAB-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1NCC[C@H]1CC[C@@H]1C1CC1	2319747529	DPOITDGBSNXVDC-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](C[C@@H]1CCC(C)=C(C)C1)NC	2320326936	IWNGOVSDWMCIBW-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CN(CC(C)(C)C)C2CC2)CC1	2320349324	YGWCSQQKOGLVQH-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CCC(C)(C)[C@](C)(O)Cc1cccc(C(C)C)c1	2320635951	HZOUVIOJFUURBG-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
CC=C(CC)[C@H](NC)c1cccc(C2CCC2)c1	2320659120	XTZAZFHUSQEENG-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1ccc(CC)s1	20482584	UPJZAUOHMCHDCD-FZMZJTMJSA-N	239.428	4.527	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1cc(C)sc1C	20482689	GDJQBJBPMOFGSG-TZMCWYRMSA-N	239.428	4.581	0	10	BJAE	
CC(C)CCC[C@@H](C)NC1CCCCCCC1	21007685	UADPNTYNOUYBKM-OAHLLOKOSA-N	239.447	4.904	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)c(C)c1	21009431	YKLCSJLLLIKIIM-DZGCQCFKSA-N	245.410	4.930	0	10	BJAE	
C[C@@H]1C[C@H]1C(=O)c1ccc(C2CCCCC2)cc1	37358549	YVCNOPWNIINGDB-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1ccccc1CC	68868553	YXOSOGZMWULUJZ-PBHICJAKSA-N	248.410	4.889	0	10	BJAE	
CCCC[C@](CC)(CNCCC)CC(C)C	71127951	WIQJRPYJGUMZND-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CC[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1	83501868	ZPCWEBHLPMGBPI-NSHDSACASA-N	249.354	4.547	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1C[C@H](C)CC[C@@H]1C	85085863	PURZUDZREBYWEM-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C[C@H](C)CC[C@@H]1C	85113127	FCPDBJIULLPERS-FXUDXRNXSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1ccccc1Cl	86315618	LVHBVVBMKMHLIB-CQSZACIVSA-N	239.790	4.569	0	10	BJAE	
CCNCCCCCc1ccc([C@H](C)CC)cc1	87729303	OTRHLYOCHKPNCM-OAHLLOKOSA-N	247.426	4.522	0	10	BJAE	
CCCCC[C@@H](NCCC)C1CCCCCC1	87948023	FGCYPCWJBWOELO-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)c1ccc([C@]2(O)CCCCC2(C)C)cc1	94284418	QBHYDROKVYTUCL-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC(C)Cc1ccc(-c2ccccc2)cc1	102286235	XEMJQYWESBPBLL-UHFFFAOYSA-N	210.320	4.552	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C2=CCCCCC2)c(C)c1	104012895	AFGMZYQLSZNPJR-KRWDZBQOSA-N	243.394	4.502	0	10	BJAE	
CCCCCC[C@@](CC)(CNC)c1ccccc1	104020192	SSVREGPYSCTDIK-KRWDZBQOSA-N	247.426	4.524	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)c1ccccc1	109724447	GGILBFRCAVQIDH-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
Fc1cc(Cl)cc(-c2ccccc2)c1Cl	112734306	GMUXLEHKQRAAGU-UHFFFAOYSA-N	241.092	4.800	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C1CCC(CC)CC1	125465553	ZDIFANPWXUIVIY-GRAKBVBRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C=C(C)C)NCCC	131049812	WSKJMMOXEWUOHP-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)c2ccc(C(C)C)cc21	136925604	MKLJGGDYJICCKC-CXAGYDPISA-N	245.410	4.748	0	10	BJAE	
CCCNC[C@H]1CCCC[C@@H]1CCC(C)(C)C	155593924	JYJWKIPPZWOSKK-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](CNC(C)(C)C)C1=CCCCC1	161463990	PPLYIGRYKSLPBS-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](CNC(C)(C)C)C(C)(C)C	162400023	XIFPDTGECPWSPO-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CCC1CCCC1	165796945	QZARAAIVADQLHJ-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1C[C@@H](C)CC[C@@H]1C	221948221	MQXQJYVVECQMGR-JONQDZQNSA-N	239.447	4.760	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1NC1CCCCCCC1	226160215	KAFGSGLFTFIQMM-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc([C@@H](N)[C@H]2CCCCC2(C)C)cc1C	226544744	JHZHGKKKBNJZGI-HZPDHXFCSA-N	245.410	4.520	0	10	BJAE	
CCN[C@@H](c1ccc([C@@H](C)CC)cc1)[C@H](C)CC	227088761	QJMJSCNEIIAORW-JJRVBVJISA-N	247.426	4.897	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCC[C@@H](C)C1)C(C)C	227180231	UGSKTKGNWYHIMT-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C(=O)Cc1c(C)cccc1C	229367627	VIZYSIGBSXQHHF-OAHLLOKOSA-N	246.394	4.631	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1ccoc1Cl	232998015	CMSBWPRWTYAVRU-ZYHUDNBSSA-N	243.778	4.539	0	10	BJAE	
CCC1(CN[C@H]2CCC23CCCCC3)CCCC1	233021072	ASCXFPGZLOMFOH-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H]1CC[C@@H](CC)C1	233133501	WNJRMVDXDOBXRT-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](c2ccc(C(C)(C)N)cc2)C1	258238488	CTHWINXLNHNQTO-CQSZACIVSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)c2c(C)cccc2C)C1	300464358	LJSDXFKESOJJJY-VYDXJSESSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H](C)CC(C)C	301011640	YXEUOBSKLREPAI-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCc1ccc([C@@H](N)CCC(C)(C)C)cc1CC	302354954	LQAQEJQZBBPCAE-INIZCTEOSA-N	247.426	4.638	0	10	BJAE	
C[C@H](C[C@@H](N)CCC1CCCCC1)C(C)(C)C	305951567	NCLIOZPQXANIOP-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(CCCC(C)(C)C)C1	305958910	WIZYSPMATSAZBK-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CSc1cc(Cl)cc2cc(S)sc12	306561037	BLXHPJMFFXMDPO-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Cc1cc2c(C(F)F)cc(Cl)cc2s1	306624044	XINVOLMIXNXZEL-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)c1ccccc1C(C)C	308055554	BCODZXIKWKQNHP-RHSMWYFYSA-N	247.426	4.882	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](CC1CCCCC1)NC	308064005	KFXGTIPNQHLCPP-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC)CCC1CCC(C)(C)CC1	310108153	DNKGTPRWVGHVJV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2CCCCC2(C)C)CCCC1	310271508	NLSKGTVCLSHDAW-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@](O)(C[C@@H](C)C2CCCCC2)C1	310462355	FRDADRMVQIQSBH-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)cc(NC(C2CCC2)C2CCC2)c1	310656098	BTYDHCXCBPIVHD-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C[C@H]2CCC[C@H](C)C2)c1	310970938	ICIAAXPVNYJAFF-YLQAJVPDSA-N	245.410	4.520	0	10	BJAE	
CC[C@H](C)[C@H](C)C(C)(C)[C@@H]1CC[C@@H](C)CC1=O	319622817	MWZVQLJNDLRMBB-ZOBORPQBSA-N	238.415	4.700	0	10	BJAE	
CC[C@](O)(CC1CCC(C)(C)CC1)C1CCC1	322312310	YXXAVHMFZXYLCZ-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)c1ccc(OCCCCCF)cc1	380207666	SRFWTCILSHHVOP-CYBMUJFWSA-N	238.346	4.719	0	10	BJAE	
CC(C)CCCCC[C@]1(CN)CCC[C@H](C)C1	383219469	DWRPRRYSKAEAHX-HOTGVXAUSA-N	239.447	4.748	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CCCCCC(C)C	383511789	JGTSFIIQRXRLSE-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CCC/C=C(\CCCC)c1ccc(O)cc1	383706350	BIYXDVGZKDCMOP-NTUHNPAUSA-N	218.340	4.766	0	10	BJAE	
CCC1(C[C@H](N)CCC2CCCCC2)CCC1	383909557	OWRIFNXEZPQRQI-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CCCCC1)[C@@H](C)CC	383943175	FHYSJHQUPGRXRR-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C[C@H](C)c1ccccc1	384736306	KQEOWLVUHHZPRS-OWCLPIDISA-N	247.426	4.595	0	10	BJAE	
CCN[C@H]1CCCC[C@H](CCC2=CCCCC2)C1	384885107	WAXKIEBWDSITCJ-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@H]1C[C@H]1CC	387697065	ZRZSWAUZPSIZOB-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCc1cc2sccc2c(SC)c1CC	396161962	AGZXFNSAGRGFAS-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1ccc2cc(F)sc2c1C(F)(F)F	396303143	SNIAVCHWCWRGGO-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
Cc1c(F)cccc1C(=O)CCC1=CCCCC1	398944635	XJHOVWCDZGPDAR-UHFFFAOYSA-N	246.325	4.597	0	10	BJAE	
C[C@H]([C@@H](N)c1cccc2ccccc12)C(C)(C)C	399086845	BLYSKNXNHCIZCY-MLGOLLRUSA-N	241.378	4.522	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@H]1C[C@@H]1CC=CCC1	402382530	ZTXZLWMHQRIHOZ-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@](C)(CNC(C)C)c1ccccc1	405607370	FYLXJLKJACNZCV-QGZVFWFLSA-N	247.426	4.523	0	10	BJAE	
CCN[C@H](CCCC1CCC1)C1(C)CCCC1	688418582	PJKYGOQJDBDMOS-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H](CC)CC(F)F	688708481	JOGBPPZITLECAF-OCCSQVGLSA-N	249.389	4.603	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CC2CCC1CC2	690117424	JVLFLGXJDUOVAL-MWHAMWOXSA-N	241.378	4.555	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCCCC[C@H]1C	691083209	UOSXRYQTAWNEGR-BXUZGUMPSA-N	235.346	4.515	0	10	BJAE	
CCN[C@H](CC1CC=CC1)C1CCC(C)(C)CC1	692057431	FYSKVQDSOCPRNO-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CCc1cccc(N[C@H]2CCCC[C@@H]2C2CC2)c1	696103841	JHZUGOOFACDDPR-SJORKVTESA-N	243.394	4.630	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C[C@H](C)C(C)(C)C	696568721	TYWMOMGDUCAZOM-QWHCGFSZSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@]12CCCC[C@@H]1C2	697832765	UYRANIXCYZACIW-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC(=O)[C@@]1(C)CC[C@H](C)C1(C)C	699088986	WDRJUIPABJGYMY-BLLLJJGKSA-N	238.415	4.844	0	10	BJAE	
CCCC(N)(CCC)c1cccc(C(C)C)c1	704835964	ZOVOYJUCGVXOHW-UHFFFAOYSA-N	233.399	4.564	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@H]1CCCC12CC2	706283580	ITRXURIUIQUTHM-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CCC[C@@H]32)cc1Cl	707856386	FNTZXVRTTVCHLO-OSAQELSMSA-N	249.785	4.639	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)CCC1=CCCCC1	708298117	VGTWYJDQMHCRAB-UKRRQHHQSA-N	237.431	4.667	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CC2	709138504	YYHSCUCVTXYDNI-AJNGGQMLSA-N	248.410	4.620	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CC2	709138522	YYHSCUCVTXYDNI-ZQDZILKHSA-N	248.410	4.620	0	10	BJAE	
Cc1cc(N[C@@H](C)[C@@H]2CC3CCC2CC3)cs1	710712359	ZWIJDVXTTRQWDK-CLTVBZQCSA-N	249.423	4.683	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)CCCC2CCC2)CC1	711161914	CXYUAXKYDQLUEC-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)[C@H](CC)CCCC	713689374	ZBMSFMUMGRQRPU-DYEWKWCHSA-N	237.431	4.703	0	10	BJAE	
C=C/C=C/CC[C@@H](CC1CCCCCC1)NCC	713760187	GBAWPTQVKVBMQD-RTRPANQVSA-N	249.442	4.847	0	10	BJAE	
C=C/C=C/CC[C@@H](NC)C1(CC(C)C)CCCC1	713764985	UEUBTBDPNUNHLU-FYCOFBDGSA-N	249.442	4.703	0	10	BJAE	
C/C=C/C[C@@H](C)c1c(C)c(C)cc(C)c1C	714560693	MWYQEPYTPRNTCM-WSKFYRRCSA-N	216.368	4.990	0	10	BJAE	
CCNC[C@@]1(C(CC)CC)CCC=CCCC1	719088169	AJAYVVVOBZGPKN-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H](C)CC(C)C	720938923	BKTBCVAZTONBBG-HOCLYGCPSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CCC[C@@H]1C	720990151	OJCAYSYBGCJYBS-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC)c1c(C)sc(C)c1C	722486525	QMGJSENDERGALW-CYBMUJFWSA-N	239.428	4.514	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C1CCCC1)C1CC1	723959401	QXKLMGKVFUCKFX-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)CSC[C@@H]1CCCCC1(F)F	1307317230	DTMWYCVJMHOPCO-MNOVXSKESA-N	236.371	4.591	0	10	BJAE	
CCCNCC(=C[C@H](C)CC)C1CCCCC1	1877095458	WKZYQGFOQAKGDU-CQSZACIVSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CCCC(C)(C)C	1900597197	RCSKRRHCBYQSGQ-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cc(C)c(C)s1	1900692584	FOVMOJKHRZNDRB-CYBMUJFWSA-N	239.428	4.581	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H](CCC)C(C)C	1905451446	VLQIBYIHDYODGJ-KBPBESRZSA-N	226.404	4.844	0	10	BJAE	
CCC[C@@H](C)C[C@]1(O)CCC2(CCCCC2)C1	1915857145	HATUYUZOJQMSAQ-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCC2(CCCCC2)C1	1915901021	BROMRTPSXXZYKW-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC(N[C@H]2CCC3(CCCC3)C2)CC1	1916442184	KIMONAVIPHTRGS-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@@](C)(O)CCCc1ccccc1	1919972032	FRYPNWKHPTZNMS-QGZVFWFLSA-N	248.410	4.731	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)c1cccc(C(C)C)c1	1920206591	MLASXYCNOPCQGH-RHSMWYFYSA-N	247.426	4.810	0	10	BJAE	
CCCCCC[C@@](C)(N)CC[C@H]1CC1(C)C	1921564459	SCXUCHZDCMMKDS-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(N)C[C@H]2CCC[C@@H](C2)C1	1923474923	FCZRIEOAYNYWRY-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(CO)C1CCCC1	1923896031	WSLZSCBAGUUSHA-CZUORRHYSA-N	240.431	4.638	0	10	BJAE	
CCC1(C[C@H](O)[C@@H](C)C2CCCCC2)CCC1	1923904808	NXBZNFFILZHGFO-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H](C)C2CCCC2)cc1C	1924140638	AMAUKJZAYSXBQH-AWEZNQCLSA-N	244.378	4.621	0	10	BJAE	
CCC[C@@]1(C[C@@H]2C=CCCCC2)CCCCCN1	1925926061	FCKAPBPSESUJIO-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC1(C)CCCCC1	1935621364	VPQSMVWKFHGDFT-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
Cc1cscc1NCc1ccccc1C(C)C	1940557660	UAAJQQDANXVLDH-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C(C)(C)C(C)C	1944660804	LUEDLXDWRIGQDV-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC1(CNCCC2(C)CCCCC2)CCC1	1945423636	HIFZSXFQIRSUTG-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)[C@H]1CCC(C)(C)C1	1945594193	STIBVPHFNISAPB-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@@H]1CCC1(C)C	1945748219	KAGBVNQNHKDADF-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC1CCC(C)CC1	1947470795	VODQTEWVHUZTFI-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C=CCCC1)C(C)(C)C	1947594113	VLMTVWKYEQZVIS-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC1CC(CC2(O)CCCCCCCCC2)C1	1947878766	LMNAQETWSBIWNT-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CCCC(C)(C)C	1948984002	PQYYDBHXSSVKDG-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@@H](N)C1(C)CCCCCC1)C1CCC1	1949035728	XWKSQKKXGIGQAX-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCCC(C)(C)CC1	1949047613	TUCLAKVRLNFZTB-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@H]1CCC(C)(C)C1	1949433782	OUAFSBNCXBROCJ-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](C2(CN)CCCCCCC2)C1	1949527986	DHMIPWSIJVHWRZ-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
CC(C)[C@](C)(O)CC1CCC(C(C)(C)C)CC1	1949792502	CSQALEZIDFPDNG-ZBCRRDGASA-N	240.431	4.636	0	10	BJAE	
Cc1cccc(NCC2CC3(CCC3)C2)c1Cl	1949837201	IJEARIYOUYCMGE-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
NCC[C@@H]1CCC[C@H](CCCCCC2CC2)C1	1950517808	XYNYZZZPMZOMPE-HOTGVXAUSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@@H](C)NC[C@@H]1CCCC(C)(C)CC1	1950921745	ITLJKBXEYRTUKS-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CNC[C@@]1(CCCC(C)C)CCC[C@@H](C)CC1	1950928713	AKNYRLHPOLYNIE-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
C1CCCC(N[C@H]2CCCC3(CCCC3)C2)CC1	1967855373	JQXIZXBRUSZMON-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CCC1(CC)CC(Nc2ccc(C)cc2C)C1	1968254227	CZFMHIJRJLPFLW-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@H]1CCC2(CC2)C1	1968286424	VZRNBBJHHSRRAY-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
C[C@@H](CN[C@H]1CCC2(CCC2)C1)C1CCCCC1	1969017028	ZDQKNRDMLLDVTQ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCN([C@@H]2CCC3(CCCC3)C2)C1	1969505481	KOCSKMBOKIKPBJ-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCCN([C@H]2CCC3(CCCC3)C2)CC1	1970296648	OGBZDFYMNZGBQH-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H]1CCCCC12CCC2	1972821086	ZESNSOQOYZEYNU-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@H]1C[C@@H]2CCCCC[C@@H]2C1)C1(C)CCC1	1973615528	WDUBMCRYTVYSJR-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
Cc1cc(N[C@H](C)[C@H]2CCC[C@H](C)C2)cs1	1980276899	NLICIOQOQUQCCW-UHTWSYAYSA-N	237.412	4.683	0	10	BJAE	
CC(C)CCCCC(=O)c1ccc(Cl)cc1	1980684854	KZYXJWVQDLSACP-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
C[C@H]1CCC[C@H]1n1ccc2c(Cl)cccc21	1982610679	CYNMULKMRHRDCU-GXFFZTMASA-N	233.742	4.656	0	10	BJAE	
CC=CCCC[C@H](CC(C)(C)CC)NCC	1984635382	OTPCBAKJVWCUFM-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCC1CCC(CC(N)(CC)CC)CC1	1989812201	NFEJKCKRPLTYAT-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(Cl)ccc1-c1cc(=S)c(C)c[nH]1	1993669436	WUZBMUMUCYEZFN-UHFFFAOYSA-N	249.766	4.681	0	10	BJAE	
CC=C(C)[C@H](CC[C@@H](C)CCCC)NCC	1995204693	QLRCEPYJCRUJET-ZFWWWQNUSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C=C(C)C)NCC	1995261627	GLIGJKAFVPAFOM-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CC(C)CCCCN[C@H]1CCCC2(CCC2)C1	1997044012	VVDBFMNGATZVPI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@]1(C)CCCC1(C)C	1997339925	BYUXQOWTNLWSNT-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CC1CC(C(C)(C)C)C1	1998238949	GKJCVOHUHCHYPP-SEEARECTSA-N	239.447	4.602	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C2CCCCCC2)C1	2000181241	FPAPRAFNEWLLHI-SWLSCSKDSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C[C@@H](C)CCC	2000513223	KHPMEKKPGOPEIF-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](C)(CNCC(C)C)CC1(C)CCC1	2000519448	WZOUNZMKSWTYBS-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCCCCC1(F)F	2000764844	PUIIJGJGXAKDML-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CCCCN(C[C@H](CC)CC(F)F)[C@H](C)CC	2000899668	DKUQABXMLYIXDN-CHWSQXEVSA-N	249.389	4.568	0	10	BJAE	
CCC(CC)CN(CC)CCC[C@H]1CC1(C)C	2000900238	LSFFZKGVLLDQGC-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@@H]1CC12CCCCC2	2001218749	XZJICZHSVKWRKL-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1CC12CCCCC2	2001234547	KMVJVBJGLIKDKT-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](CC)(CN)CC1(F)CCCCC1	2001388964	YFHBIKNXTSCRSH-AWEZNQCLSA-N	243.410	4.594	0	10	BJAE	
CCCC[C@H](O)CC[C@]1(C)CCCCC1(F)F	2002575081	ALJIHWPIHCBGMS-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCCC1CCC([C@](C)(N)CC2(C)CC2)CC1	2002920307	CHWRDMIMJNELGY-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@]1(CNC(C)(C)C)CCCC(C)(C)C1	2002980796	ZHMSDKVNLFEEIV-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1CCCC2(CC2)C1	2003287533	LBWUOPKIVYSMTN-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CCC)c1ccco1	2003685521	LMCUWOGQJNEGQY-UONOGXRCSA-N	237.387	4.537	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)C1(C)CCCCCCC1	2004922813	KVHGVRWLHIISMF-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H](NCC1(C)CCCCCCC1)C1(C)CC1	2004937978	XXGZQAHHJDVKAL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC(C)(C)C)CC1(C)C	2009616670	KVCIZHDTHBDXGW-WAVCKPEOSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H](C)C(C)(C)C)NCC	2009619059	ICRBIKRNUMHWLS-VIGJRRFGSA-N	239.447	4.783	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1CC(C)(CC)C1	2009621745	JOHSZMUFGHXXKX-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(N)(C[C@@H]2CCC[C@H](C)C2)C1	2009788783	DYMJFAOZQLCZPA-QRNKSROTSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC1=CC[C@H](C)CC1)C(C)(C)C	2010626806	SHGDRRJHHJUFLT-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC[C@@]12CCC[C@H]1C2	2010967685	GZWULQBBYDQYGI-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@](CC)(CNC)C(C)C	2012420652	DENWDYHWFCIVGH-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC[C@H](C)[C@H](NC)c1sc2ccccc2c1C	2014290870	JGXFEAIDODZWBC-HZMBPMFUSA-N	247.407	4.516	0	10	BJAE	
CN[C@H](CC(C(C)C)C(C)C)C(C)(C)C(C)C	2015278049	LIJVXDVZBJDSPT-OAHLLOKOSA-N	241.463	4.575	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(N)CCCCC12CCCC2	2015401089	SHWICPVRGJSUIU-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCC1CC([C@H](O)CC2(CCC)CCC2)C1	2015635877	QYSPHPNEVOMSNV-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(O)CC[C@@H](C)C2)CC1	2017650952	NUYNPEWIFBYYNH-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(N)C2(C)CC2)CC1	2017730687	JXPLQHJZKVSMBQ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CC[C@H](C)[C@@H](C)C1	2019125755	DRCWGGAYRGTDOW-OFQRWUPVSA-N	239.447	4.569	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCC3(CC3)C2)cc1	2021787482	IFBNFYSUQPIMKM-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CC(C)(C)CC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2022414879	NXDYMXNIUVTLCO-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1C[C@H]1C(C)(C)C	2022453671	IDWOLWMYVQZFPM-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)[C@H](CCCCC(C)(F)F)NC	2023298350	ZHJBBAMIFCLKCC-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC(C)C(CC[C@@H]1CC(C)(C)CC1=O)C(C)C	2023631446	JIKUVDZREQZKND-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C)C(=O)CC1CC(C)(C)CC(C)(C)C1	2024092600	SNOBMIHDBJRKKH-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C)CCN(C)C[C@H]1CCCC(C)(C)C1	2024097262	GGOIBFWNHVBZBH-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1ccccc1C	2026168232	YOJUWILMIJGCHF-CZUORRHYSA-N	233.399	4.601	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CCC1CC1)NCC	2026170141	NOSMHJUMYHLQHE-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2CCC[C@@H]3C[C@@H]32)n1	2026523948	DUBCGRHSUJZLIY-UNJBNNCHSA-N	249.423	4.635	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@@]12CCCC[C@@H]1C2	2027314369	PGHHVLMIRPOOFQ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C(=O)CCc1ccccc1)C(C)C	2028255679	SCYVIMPXCPHJIG-INIZCTEOSA-N	246.394	4.507	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C[C@H](C)c1ccccc1	2028255865	UGPGOSDOLYVKRJ-USXIJHARSA-N	247.426	4.580	0	10	BJAE	
CCC[C@H](c1nc2c([nH]1)[C@H](C)[C@H](C)CC2)C(C)C	2028264118	OICPDVZMRSCKJB-UPJWGTAASA-N	248.414	4.635	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1ccccc1C1CC1	2028560233	OIWOCPUSJPDEGZ-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCN[C@H]1CCCC[C@@H](CC2CCC=CCC2)C1	2028869689	KDQIFAVMANBFTE-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CCCC1)[C@@]12CCCC[C@H]1CCC2	2031754371	JMAQDACPUMOYNE-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCC[C@@H]1C[C@@H]1C=CCCC1	2035602498	WGXJSUTUBJJISU-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1cccc(C2CC2)c1	2036355185	JZRNDFISKYCMDA-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CC1CCC(C(=O)[C@@H]2CCC3(CCCC3)C2)CC1	2037671026	ANGGPBSHMYAFFT-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](NC[C@H]1CC12CCCC2)C1CCCCC1	2039077851	CMZZDXZGVAOKHV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)CC23CCC(CC2)C3)C1	2039355336	ZGNYTNUPZVBMSV-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](O)[C@@H]2CCC[C@@H](C)CC2)c(C)c1	2039359982	ORKTULBUWCIWDQ-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
C[C@H](NC[C@H]1CC12CCCC2)C1(C)CCCCC1	2039864315	ZAYJFMDIWKMLCQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@H]1C[C@]12CCCC1(CCCCC1)C2	2040765845	WJMQPAIXDQMUKO-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](CC)c2ccco2)CC1	2041494771	LRMUERTYDQRVOA-QLFBSQMISA-N	249.398	4.679	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@@]1(C)CC=CCC1	2042019051	LGNVBUJLGHWQSC-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCN(C[C@H]1CCC=CCCC1)[C@@H](C)C1CCC1	2045310936	HDRYDFSOTMINJY-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CCN[C@@H](CCC1CC1)C[C@H]1CCC=CCCC1	2045320464	NAOPILUVSVDDNS-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(F)c1NC[C@@H]1CCC=CCCC1	2045329349	NFUUZAXVEVUFAE-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CCN[C@@H]([C@H]1CCCC(C)(C)C1)[C@H]1C=CCCC1	2045515947	GPYAJSCMZKMDJD-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)c1ccc(C)cc1C	2045730858	SQASJRCZVWMRNT-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@@H]1CCC2(CC2)C1	2049845128	HFQUXZXHGKVJRF-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC2(CC2)C1)[C@@H]1CC1(C)C	2049858612	RQLCDWCRALOGMT-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)[C@]1(C)C=CCC1	2050006083	KUCVBDDOLLBYPD-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@H](O)CC[C@H](C)CC(C)(C)C)c1	2050442136	SYHGWWNHVIZOPM-GOEBONIOSA-N	248.410	4.881	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@H]2CC[C@@H]21)C1CCCCCC1	2052286970	RLPLQGLHYIBUPT-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H](N[C@H]2C=CCCC2(C)C)CC(C)(C)C1	2055533971	YEEKJABDTCAVAR-ILXRZTDVSA-N	249.442	4.536	0	10	BJAE	
FCc1ccc(NCCC2CCCCCC2)cc1	2055667105	IKDBVOFXXBFRRJ-UHFFFAOYSA-N	249.373	4.929	0	10	BJAE	
NCC1(CCC2=CCCCC2)CCC2(CC1)CC2	2056526171	MOTXMPZOVJLXAT-UHFFFAOYSA-N	247.426	4.566	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC2CC2)CCC[C@@H](C)C1	2059260729	ZVGVZPNENURPLC-GILVVUIESA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(NC[C@H]2CCC=CCCC2)C1	2059484525	GSORHPJWRSWNLP-GTPINHCMSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)C2CCCCCC2)CC1	2061089112	RCNKEQLULJGADF-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@]2(N)CCCCCC2(C)C)CC1	2061110454	GTVOBZUUYXSMNA-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CC=C([C@](C)(N)CC2CCCCC2)CC1	2061114153	VZNAFLXWIHNOIG-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CC([C@@H](N)C2=CCC(C)(C)CC2)C[C@@H](C)C1	2061115865	KZCVVIBCJIQERH-XEZPLFJOSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)C1(C(C)C)CC1	2061145340	YDZBPFUULUBBNQ-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C(CC(=O)c2ccccc2F)CC1	2061190280	VHBBOGNBWIOKDM-UHFFFAOYSA-N	246.325	4.535	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CC[C@]23CCC[C@H]2C3)C1	2061601592	IOVICUVPMUWQLQ-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)C1CC(=C2CCC2)C1	2061640131	LWZPGJMZEIMHLS-KRWDZBQOSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)CC(C)(C)NCC1CC(=C2CCC2)C1	2061724169	ZFZZKVFSDJMHQK-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNc1cccc(C2CCC2)c1	2062645716	HNXAXMRXWHHJDX-HIFRSBDPSA-N	243.394	4.802	0	10	BJAE	
CC[C@@](N)(CC1CC1)CC1CC2(C1)CC(C)(C)C2	2063204005	LLIPVPAVJRZWHO-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H]1C[C@@H]2CCC[C@@H]2C1)c1cccc(N)c1	2063497664	SEEICHYCEIWEFY-XOUADPBQSA-N	243.394	4.589	0	10	BJAE	
CCCN[C@H]1C[C@H](C2CCCC2)CC2(CCC2)C1	2063643262	ZORVZJTUAIHPJO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(C1CCCC1)C1CC2(C1)CC(C)(C)C2	2063808759	XIFKVPYGMHPCJY-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC12CCCC1CCC2	2063906191	TUEMYAOHZUZMBW-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(=O)C1CC2(C1)CC21CCC1)C(C)(C)C	2064122982	ULXYGJKNXUXIDD-POZPTJLLSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CCC(N)(CC23CCC(CC2)C3)CC1	2065335287	NMWTVIZPVTUFNQ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1(C(C)C)CCC1)c1ccoc1	2071948287	DPAYGOCWNNLICB-HNNXBMFYSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)c2cocc2C)CC1	2072802562	YVBRQCPKGIYGHZ-DZKIICNBSA-N	249.398	4.584	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)C=CCC[C@H]2C)CC1	2072876373	ZOVRJXZLEPKGOR-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCCCN(C[C@H](C)c1ccccc1)[C@@H](C)CC	2075143547	HMQRKHYFSSPUET-HOTGVXAUSA-N	247.426	4.691	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2C=CCCCC2)CCC[C@@H]1C	2075363778	SUHPHVYTFBBLDO-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H](N(C)[C@@H]2C=CCCCC2)CC(C)(C)C1	2075402207	VDAPZDFPVBZRBR-OAGGEKHMSA-N	249.442	4.632	0	10	BJAE	
CC1(NC[C@@H]2C[C@H]2C2CCCCCC2)CCCC1	2079650842	MVZIALZMZMCLMU-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H]1C[C@H]1C1CCCC1	2079800594	AATIFXROHBQBLC-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@H]2C2CCCCC2)C1	2079864354	MHXSDWINTIBLOV-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)C12CCC(CC1)CC2	2079865545	OOFCSZNYCUTXLP-YRTQGLMCSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H]1CCC2(CC2)C1	2081779121	FNEUOYJTJUMADJ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCCC(C)(C)C1	2081947107	OQKDTIZMMBTXSB-AWEZNQCLSA-N	249.373	4.769	0	10	BJAE	
CCCN[C@H](C)c1ccccc1[C@H]1C[C@@H]1C(C)C	2082714379	CUGVSDBIVJHHEA-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CCN[C@H]1[C@H](C[C@H]2C=CCCCC2)CCC[C@H]1C	2082838373	RDMPPLRCUZAKQE-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1scc(C)c1C	2210562076	FVDCXTYIKIEKAO-GFCCVEGCSA-N	238.396	4.620	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CCCCC1CC1	2211121216	HTNUCJXIPXEVPM-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC1(C)CC[C@]1(CN)CCCCCCC1CC1	2213572814	AHWKKQGJNGZDJN-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC[C@H](C[C@H](N)CCCCC1CC1)C(C)(C)C	2214566067	SDEFSQZVAGNJHV-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC[C@H](N)C1CCCCC1)CC(C)(C)C	2214774897	HPJYXMXMLQKFLV-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CC[C@](N)(CC[C@@H]1C[C@@H]1C)CC1CCCCC1	2215245317	DSCRRUITJFKZNT-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)C1(C)CCCCCCC1	2215323658	FXHZOMVVCYZIHF-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CC1(C)CC2(CCC2)C1	2215463443	BBLODZCYZYRZQU-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](c1cccs1)[C@]1(C)CC=C(C)CC1	2215816933	KOVGVDVDRLCLAC-LSDHHAIUSA-N	249.423	4.535	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC[C@H]2CC2(C)C)CC1	2215823772	MPQXQDAFQYZGBN-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CC1=CC[C@@](N)(CCCCCCC2CC2)CC1	2215834191	ISDOHZQBJWHCRE-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@H](C)CC)C(C)(C)CCC	2216280031	UVGMGPUBZTVWSL-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CC)C(C)(C)CCC	2216283496	SCUOLHNGVICYEE-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCCCC(F)F)C1	2216517645	ZAAAORNAYCAULQ-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
C/C=C/CCCNCCCCCCCC1CC1	2216860991	CYEYNADFAXYLET-NSCUHMNNSA-N	237.431	4.683	0	10	BJAE	
C[C@H](CC1(N)CC(CC2CC2)C1)C1CCCCC1	2218494018	PEEDTLUIGCTQTP-BZOOQXSSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC=Cc1ccccc1	2219042799	AXSWJTYXNFXXTD-RDJZCZTQSA-N	246.394	4.667	0	10	BJAE	
C1CCCC([C@H]2CCN2CCCCC2CC2)CC1	2220018174	YXKATUVESUEPQC-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@H]1C(C)=CCC[C@H]1C	2220048966	YHBGICZDQADXJT-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@@H]1CC[C@H]1C	2220517804	CDDWHEAGLNAOAT-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H]1C[C@H]2C[C@@H]1C2	2222306834	JKHDMRJRWLVPDM-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
NC1(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCCC1	2222934097	QWUUVOQLOAUHTF-PMPSAXMXSA-N	249.442	4.645	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1cccc2ccoc12	2224167035	XDHKHDUGTCQBGT-OAHLLOKOSA-N	245.366	4.649	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cc(C)ccc1Cl	2244774687	IBPVWGLYGJLCPJ-RISCZKNCSA-N	240.774	4.508	0	10	BJAE	
CCC[C@@H](C)C(=O)c1ccc2ccsc2c1	2246164928	NKSBJUZXZYWCNL-SNVBAGLBSA-N	232.348	4.520	0	10	BJAE	
CCCCC[C@H](O)CC[C@@H]1CCCCC12CC2	2246630200	MHBXJBAFZXCCNU-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H](C)C(C)(C)C)C1	2246662802	IDKMZFOXCFNUKU-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)NC[C@H](C)CC[C@H]1CCC[C@H](C)C1	2246680426	QZKAVHBLOIWVBH-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cc2ccccc2s1	2246875298	MDQOJYRTXKNCSK-NHYWBVRUSA-N	247.407	4.727	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1CCCC1(C)C	2247170276	GTRLJPIIQBDBGF-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](O)CC1(C)CCCC1	2247172537	ATQAXMPDOZMBHA-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)CNCC(C)(C(C)C)C(C)C	2248374107	RGBFASDJFWBJQY-OAHLLOKOSA-N	241.463	4.577	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)CC[C@H]1C[C@H]1C	2248842951	SIUJPAVEQXJVAG-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@](C)(O)CCCCC[C@@H]1C[C@H]1C	2248869983	KVMYKNFTRAEQKC-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cc(C)c(C)c(C)c2)C1	2249491446	RFUNTEWYUBFILJ-CABCVRRESA-N	231.383	4.602	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN1CCC[C@@H](C)C1	2250467632	UBZMLUSBTBCPGI-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
Cc1ccc(NC[C@@]23CCC[C@@H]2CC3)cc1Cl	2251165077	AWQUVEDTLBQAEH-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CN(CC[C@H]1CCCCC12CC2)C1(C)CCCC1	2253860140	YGBMDBJNIPMOFT-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](CCCC[C@@H]1C[C@@H]1C)C1CC=CC1	2254569172	NYHQPGAAUALHAI-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1C[C@H]2CCCC[C@@H]21	2254586936	YSKZPSUYRFSBJC-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)C[C@H]1CCCCC12CC2	2254945831	OYFMGMVMGPYNIC-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C1=C(CN2CC[C@H]2C2CCCCCC2)CCCC1	2255058952	PQXCXCISDDRFCE-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H]1C[C@H]1C(C)(C)C	2255135722	CWFAJQUEHVFZPI-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@@H]1CCCC12CC2	2255234512	KIXOYZPASJRBBZ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NCC[C@H]1CCCC12CC2)C1(C)CCCC1	2255245178	KJEFOPXQTABFJR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(C(=O)CC[C@@H]2C[C@@H]2CC)cc1	2256239848	UOKQNZLQDIXAQC-GOEBONIOSA-N	244.378	4.648	0	10	BJAE	
CCCc1ccc(C(=O)CC[C@H]2C[C@@H]2CC)cc1	2256239849	UOKQNZLQDIXAQC-HOCLYGCPSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1CCNC2(CCC2)C1	2257362665	UAQBATYUHFBJQX-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)Cc1ccccc1C(C)C	2259436589	NUAHKCQTMHWAAX-YOEHRIQHSA-N	248.410	4.540	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@]12CCCC[C@H]1CC2	2260509582	WHWJGIXCSYPGIT-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(NC[C@]23CCCC[C@H]2CC3)CCC1	2260583139	NDISMMYJITWUQE-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H]1CCNc2ccc(F)cc21	2261337506	GKQCQOPWGIFAFC-JSGCOSHPSA-N	249.373	4.797	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@@]12CCCC[C@@H]1CC2	2298727363	VUJCZYHEBJCSJU-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC(=O)c1cc(C)ccc1F	2300703472	GQGLCKXHYFWRMZ-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CC(=CCNCCC1(C)CC1)CCCC(C)C	2300867113	IFNUCJFLMJIODS-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(=CC[C@H](N)C1CCCC1)CCCC(C)C	2300874880	PAKVKJLWOFYZEF-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC1(C)C[C@@](O)(CC2CCCCCC2)C1(C)C	2301207561	LJDWKZXPOATAGS-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(O)C[C@H]1CCCC(C)(C)C1	2301922211	WUCOMWBHYGJQOM-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)CCC1=CCCCC1	2301937615	GIXLUVUVSVIKHC-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H](C)[C@H](C)C(C)C	2301960780	DXUZKKZLBBMNCZ-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CCCC1CCC(CC[C@@H]2CCC[C@@H]2N)CC1	2302664823	OYHOBOMIQCMBRA-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
C[C@H]([C@H](O)CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304398317	CHXRXMKCBDQLAR-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2304439863	MTIGGWUUNZXAJP-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCC2(CCC2)C1	2307846906	VZZYRDBKTSPKRC-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1c(C)cccc1C	2307877781	MNBZQOHIEDHFGE-HUUCEWRRSA-N	234.383	4.553	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@H]2CC[C@@H]3C[C@@H]3C2)CCC1	2310986020	HPROFZUUZQWERJ-MJBXVCDLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H]2C[C@H]3C[C@H]3C2)CC1	2311015028	YPVQKPHSBCFIFB-WFLNUHJHSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312933925	PFOPSNUWJJSSMK-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@@H]1C[C@@H]2CC[C@H]1C2	2312937280	GBMHUSNCQUZGFG-UGUYLWEFSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](C[C@H]1CCCCN1)C[C@@]12CCCC[C@@H]1CC2	2313344378	RKHOHUTWTGFBOU-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
N[C@@]1(CC2CCCCCC2)CCC[C@H](C2CC2)C1	2316880958	MBDJFMZYLVOKEJ-DLBZAZTESA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H](NCCCC2=CCCCC2)C1(C)C	2318520783	AIWWDKUDUUYKNG-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](NCCCC1=CCCCC1)[C@H]1CC1(C)C	2318523982	JJWBXZMWOGTBQF-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(CCCC2=CCCCC2)C1	2318584336	ZHRBYJAAOPDJQQ-DOTOQJQBSA-N	249.442	4.812	0	10	BJAE	
CN[C@H](CCC[C@H]1C[C@H]1C)CC1CCC=CCC1	2318935966	KSTDNPUBIDMRAF-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC[C@H]2C[C@@H]21	2319535093	MZRANMPWCFSSNL-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CNC[C@]1([C@H]2CCCC[C@H]2C)CCC(C)=C(C)C1	2320266999	ZDVFVMLWWVHZJW-PVAVHDDUSA-N	249.442	4.539	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCC(C)=C(C)C2)CC1	2320413526	SWZAOCNNKZWKNE-AQFXKWCLSA-N	249.442	4.824	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1cccc(C(C)C)c1	2320587422	UOYJDTKZUBVXLZ-WMLDXEAASA-N	248.410	4.916	0	10	BJAE	
CC1(C)CCC(C(=O)[C@@H](CC2CC2)C2CC2)CC1	2320813238	UGRHXKGKSPPWKM-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1CC(=CCCCCCCC2CC2)CN1	2321251850	ABGCSJZFGAFTST-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCC[C@@H](C)C1	22149804	ZQJBVXMXGKIRSL-ZWNOBZJWSA-N	237.774	4.639	0	10	BJAE	
Fc1ccccc1/C=C\c1ccnc2ccccc12	33608464	UCCJYAHEKMRSAB-KTKRTIGZSA-N	249.288	4.544	0	10	BJAE	
CN[C@@H](CCC(C)C)c1ccc(C(C)(C)C)cc1	35493525	DYFNKBCYRTWKFW-INIZCTEOSA-N	247.426	4.681	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@@H](C)CC(C)(C)C)s1	36889531	SMEDYYTXHPEWAY-PWSUYJOCSA-N	239.428	4.519	0	10	BJAE	
C[C@@H](Nc1ccc2c(c1)CCC2)C1CCCCC1	37200566	YQTWZXUYQJRTCT-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
CCCC[C@H](CC)NC1CCC(CC)CC1	68987049	HKBXOFLCHPFRNJ-SLTAFYQDSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@]1(N)CCCC[C@H]1C(C)(C)C	71084950	KPMUEFKHYUTPHS-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Oc1ccccc1Cl	85149818	BUKCGPLNDBKAGQ-DGCLKSJQSA-N	238.758	4.688	0	10	BJAE	
CCC[C@H]1CCC[C@H](Nc2ccc(O)cc2)CC1	86943106	CVFYDBADTIVAGU-KBPBESRZSA-N	247.382	4.553	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](Nc2cnccc2C)CC1	86946900	BVIBZWFLHBMZRC-HUUCEWRRSA-N	246.398	4.551	0	10	BJAE	
CC[C@@H](C)CC1(O)CCC(c2ccccc2)CC1	87163739	LPKJUJKMEZFKRJ-ODIFPOPNSA-N	246.394	4.512	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCC[C@H](C3CC3)C2)c1	91510731	WZXKQBOXAJHUIX-ZFWWWQNUSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CN)c1cccc(C)c1	93125601	XYGWKENIDWPCNR-RDJZCZTQSA-N	247.426	4.644	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)c1ccoc1	94867741	PYOCYKORRHAGHX-CQSZACIVSA-N	237.387	4.537	0	10	BJAE	
CCCC[C@H](CC)c1nc2cc(C)ccc2[nH]1	112866395	DVOKZTLIIBULIF-LBPRGKRZSA-N	230.355	4.555	0	10	BJAE	
CC[C@@H](C)c1csc(Cc2ccc(C)cc2)n1	132231254	GEDISMAZIUUWJN-GFCCVEGCSA-N	245.391	4.556	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C(C)(C)CC	133547599	JXRZUZMUQPKIRJ-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)N[C@@H]1CCC(C)(C)C[C@@H]1C	155977428	ZQNDYRHOSAAXET-LXTVHRRPSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@H](NCC)C1CCCCCCC1	159094311	UHSPMGOKDBECIK-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@H](CCCCCC(C)C)C(C)C	166180221	UCERCNLERGRMHY-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNCC)C1CCCCC1	168033091	NGLIVETZARRLEH-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC(=O)c1ccc(-c2ccccc2CC)cc1	197049712	FYIMHPDUWLMVKT-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
C[C@H]1CC[C@@H](C(C)(C)CCC(C)(C)C)[C@@H](O)C1	222625404	GHUKOCYSZNREMK-MJBXVCDLSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(Cl)c(NC2CCCCCC2)c1	232230352	GZAWPGBAKMYMBN-UHFFFAOYSA-N	237.774	4.783	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@H]1CC[C@@H](C)C1	233136616	NFZBPJALYDTSEO-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)C(CC)(CC)c1ccccc1	233287908	CUCCIKXHBUSHSX-GDBMZVCRSA-N	247.426	4.508	0	10	BJAE	
CCCCCCN[C@@H]1CC[C@@H]2CCCC[C@H]2C1	250795907	ARZBROVXVVBURX-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CC(C)n1c([C@H](C)C#N)cc2cc(Cl)ccc21	259982200	JLKWLQCZJZJBPQ-SNVBAGLBSA-N	246.741	4.503	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CCCC(C)(C)C	300912931	SGFZOLCUFXCTEH-KBPBESRZSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCCC)C1=CCCCC1	302273249	APQYJSGVQPDKKZ-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@](N)(CCC1CCCC1)c1ccccc1	305897869	SALMXUXGNZKJRD-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1C[C@H]1c1ccccc1	305946068	SPULXSZPLJQUDS-LSDHHAIUSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CC[C@H]1Nc1cc(Cl)cc(Cl)c1	308793640	IEBRCYUXEXNALA-LLVKDONJSA-N	244.165	4.594	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CC2(C)CCCC2)C1	310446917	XFEBVFLEAVQPAA-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2(C)CCCC2)c(C)c1	311039500	OTDYZUDUOUTUHB-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)C1CCCCC1	311041514	GOXPDQDRPKRAQP-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCCCCC[C@@]1(CNCC)CC[C@H](CC)C1	317267801	NINBFXVQYGRZQT-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1	323979255	JQFPHWWFHZYTTA-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)c1cc2ccccc2s1	384070510	QTAJMNIFUDCJCB-IAQYHMDHSA-N	247.407	4.583	0	10	BJAE	
Cc1ccc(OC[C@@H](C)C2CCCCC2)c(C)c1	386805902	NEZLIPQBDGFDTP-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
CCCCCC[C@H](C)Nc1cscc1C	387035881	PNZUFZAXRUEJBS-LBPRGKRZSA-N	225.401	4.827	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1CC12CCCCC2	387073846	ZIJSLYSBUNWDGL-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@H](O)CC1(CC)CCC1	390268521	QULIMUYYSJZNAS-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(N)CCC[C@H](C(C)C)CC1	393876501	GHMRDTWMXWWTEU-HRCADAONSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNc2cc(C)ccc2C)C1	394554400	HETYXVWJZCFRFY-CVEARBPZSA-N	245.410	4.932	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](CC)[C@H]1CC1(C)C	397654476	FPJFUPCARRFAFU-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CCc1ccc([C@H](CC)NCCC=C(C)C)cc1	397756984	IIJYYLZPKTYJEG-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CCCCCC[C@H](C[C@@H](C)C1CCC1)NCC	398696792	IKYCVDZNTVPEJG-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1csc([C@@H](C)c2ccccc2)n1	405532741	CDRQZQKLRFLTGS-RYUDHWBXSA-N	245.391	4.808	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)CC(C)(C)C1CC1	405768818	MAXBEXUDGINOBP-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](O)c1ccccc1-c1ccccc1	575448325	URLOVWUPORZFNQ-QGZVFWFLSA-N	240.346	4.577	0	10	BJAE	
CCCCC[C@@H](N)C1CC(C)(C)CC(C)(C)C1	688345169	JBRLXSOGZPGWLB-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(N)(CCCC2CCC2)CC1	688368364	MNFWISQRWIAQEL-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](O)CCCC1CCC1	688415735	MCSAIYOWIQXBOQ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)CC1CCCC1	689833055	XLNKCTNCVCGHJJ-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2cccc(C3CC3)c2)C1	690161717	YUMROSDRIZEPJY-SWLSCSKDSA-N	229.367	4.555	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1Nc1ccsc1Cl	691036631	FBIRVOGJJCSRLJ-ZJUUUORDSA-N	243.803	4.782	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CC2CCC1CC2)C1CCC1	691697464	IRHXVZQRICHCFM-JXQTWKCFSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@](CC)(CN)CC(C)(C)CC(F)F	694061969	AVFJEBZFTQBPKI-CQSZACIVSA-N	249.389	4.603	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C1CCC2(CC1)CC2	695627947	XIDFHZJMAIWRGQ-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@](C)(CCC(C)(C)CC)C1CC1	696678925	OSEJUXKPSFOBFN-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CCC(C)(C)CC)C1	696740701	RSAKHEFXRBZHGJ-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CC[C@](C)(C(=O)CCCC2CC2)C1(C)C	699028617	YTDNUDDSUNPAJU-BLLLJJGKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](NC[C@H](C)C1CCC1)c1ccccc1	703041146	VGTIWEKMFJRBAX-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
N[C@]1(CCC2CCCCC2)CCCC[C@H]1C1CC1	704472668	ICTLLNSQFHMWER-IRXDYDNUSA-N	249.442	4.645	0	10	BJAE	
CCc1ccc(CC)c(NCCC=C(C)C)c1	704922378	JRZZFBONFHQCOX-UHFFFAOYSA-N	231.383	4.580	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)c1cocc1C	705295420	SXOROVHXTXGXKF-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
C[C@@H](CC[C@@H](CN)c1ccccc1)CC(C)(C)C	709086869	ZLYYHDHLXNOQFT-HOCLYGCPSA-N	247.426	4.581	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](C[C@H](C)C(C)(C)C)C1	711229395	UDIHMAMYBHHGMZ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC/C=C/C[C@H](C)c1ccc(SC)cc1	714532445	XKTYQNSRJSVJSA-FYJFLYSWSA-N	220.381	4.868	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CCCC(C)(C)CC1	718516445	AQJGTLQKCNEGKC-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(C(=N)c2ccc3ccccc3c2)cc1	725397146	QASOAYZTXPUOHK-UHFFFAOYSA-N	245.325	4.564	0	10	BJAE	
C[C@H]1CCC[C@H](NC2CCC3(CCC3)CC2)CC1	1621256140	CXHUFGJLFBTUDN-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@H](C)C(C)(C)C	1900584689	XEYLHKBPXQAGAX-ZFWWWQNUSA-N	228.420	4.636	0	10	BJAE	
Cc1cc(-c2cccc(F)c2C(F)F)cs1	1901897378	LJVGAGRCEFIMGX-UHFFFAOYSA-N	242.265	4.800	0	10	BJAE	
CC(C)CCC[C@@](C)(O)SC1CCCCC1	1904730712	WKBFZQITIBXEHG-AWEZNQCLSA-N	244.444	4.587	0	10	BJAE	
CC1CCC(c2nc([C@H]3C[C@@H]3C)cs2)CC1	1905258065	KNPMCHRWKWWKJK-ADPBJBESSA-N	235.396	4.560	0	10	BJAE	
CCC[C@H](CC)CC1(N)CCC(CC)CC1	1905301430	FTKHLEFTVKODCA-SLTAFYQDSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CCC(C)C)NCC	1905435629	SLHKQTFPNKXKAX-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccccc1NCCC[C@@H]1C[C@@H]1C	1908567735	GYLCYGLDTDLVPW-UONOGXRCSA-N	231.383	4.658	0	10	BJAE	
C=CC=CCC[C@H](CCC1CCCC1)NCCC	1911919776	YRHGZDRYEGUMAJ-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CC1(C)CC(CC(=O)C2CC3(CCCCC3)C2)C1	1912636120	VJNFVHXQCBEIQQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCC3(CCCC3)C2)C1	1916440781	DUJOUXVLVQVKNW-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CC)c1cccc([C@H]2CC2(C)C)c1	1916483215	BVDLAGGFFPWFRV-CVEARBPZSA-N	245.410	4.651	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)[C@@H]1CCCC12CCC2	1921603816	OJAVVPQVRPBPJS-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)[C@H](C)C1CCCCC1	1924147499	FXLQDILDYMERNM-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N)[C@H](C[C@H]2C=CCCCC2)C1	1925886243	CCCBAXACMAYZBS-HZMVEIRTSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)CC2CC(C)C2)cc1	1926945398	NEYUGXROSNDUBP-GMUWMPNVSA-N	246.394	4.670	0	10	BJAE	
FC1(F)CC[C@@H](CC[C@H]2C=CCCC2)C1	1932607203	PKIRDFWBCLNMEO-NWDGAFQWSA-N	214.299	4.558	0	10	BJAE	
Cc1sc(Cl)cc1C[C@@H]1C=CCCC1	1933565148	GKTQJWBTWHXYLZ-SNVBAGLBSA-N	226.772	4.609	0	10	BJAE	
CCC(C)(C)CC[C@H](C)c1ccc(N)cc1	1935995988	SVRSUYQTBPMIPV-LBPRGKRZSA-N	219.372	4.589	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C(C)(C)C1CC1	1941138696	CKDMPZPVBWBLBW-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)CNC1(C)C(C)(C)C1(C)C	1941190139	RHWYDHARLSIWFW-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(NCCC2CCC2)cc1	1941374903	COPJHNPYDOZTGF-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
CC1(C)CCC[C@](O)(CCCCCC2CC2)C1	1941579725	RAMGVOGVPLAPQH-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC[C@](C)(CNC1CC1)[C@@H](C)CCC(C)C	1942662988	YQCSMWANAUABMI-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CCN[C@H]1CCC12CCCCC2	1942813945	ZCQWUIOCFGWFLT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@]1(O)CC(C)(C)CC2(CC2)C1	1943082529	RDCZXCDZJCUTSR-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@](O)(CC1C[C@@H](C)C[C@H](C)C1)C(C)(C)C	1944200579	VZBTYYFZAUNVCK-XEZPLFJOSA-N	240.431	4.636	0	10	BJAE	
CCC1CC(N[C@H](CC)CC2CCCCC2)C1	1947034757	BTFXFJORERUBQA-OGVSOVDVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1C=CCCC1)NC	1947584948	BVMLAMWSTPBHIQ-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)CC2(CC)CCC2)C1	1948982200	LWYOSUQEEKFYDV-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCCCC1CCC1)C(C)(C)C	1949827414	MADKLGHKXAUHTN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@]1(CNC(C)C)CCC[C@@H](C)CC1	1950923422	GQOVWRDPXCSIKL-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(C[C@@H](C)C(C)(C)C)CC1	1950925104	QFRBLEGERUKRGZ-FMKPAKJESA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNCC)CCC[C@@H](C)CC1	1950930727	QXOUGEAGZLXMAK-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CC[C@H]3CC[C@H]2C3)CC1	1967766715	OUHBHCKSMRNOCA-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@@H]1CCC2(CC2)C1	1968352690	ZUDPKXVRZDABMU-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)C1CC2(CCC2)C1	1970819582	HPZUHMOMFARCCA-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](N[C@H]1CC[C@H]2CC[C@H]1C2)C1CCCC1	1970932932	NIKCBSNEDVVGFX-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)c1sccc1C	1973168741	FTCQCARXLIWZGA-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCCC(C)(C)CN[C@H](c1ccccc1)C(C)C	1973173903	XFYAEYGEAKXOQF-INIZCTEOSA-N	247.426	4.800	0	10	BJAE	
CCC1(C)CC(N[C@@H](C)c2cc(C)cc(C)c2)C1	1973589226	GDPDYAUKECUTGP-OOHWJJMZSA-N	245.410	4.533	0	10	BJAE	
CC1(C)CCCC[C@H]1NCCC1CC2(CCC2)C1	1973743464	KNDAFDAEKMKHTF-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCCC(C)(C)C1	1978331164	ZDPMYWZLTIVMMQ-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C(C)(CC)CC	1984634566	HRPVBDAVFIVYPS-XYYIANASSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](CC[C@@H](C)C(C)C)NCCC	1988309938	OPTWEVUZINSCSE-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](CC)NCc1ccsc1C	1990092138	VTLKDZFLEJTLFT-AWEZNQCLSA-N	239.428	4.505	0	10	BJAE	
CCc1cccc(CC)c1N[C@H](C)[C@H](C)CC	1995659681	YLHYZDXJUJJJRR-CHWSQXEVSA-N	233.399	4.658	0	10	BJAE	
CCN[C@H](CC(C)C)[C@@H](C)C1(C)CCCCC1	1995977202	ZZZPRHSLISZXBX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C[C@@](C)(O)CCC2CC2)CC1	1996367659	DUKWRXDMDUBHQK-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)Sc1ccccc1N[C@H]1CCC1(C)C	1996563184	BVRQDYWSQRQTOH-AWEZNQCLSA-N	249.423	4.788	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H]1C=CCCC1	1998377079	JCTKKMFOHDQURV-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC1CC(C(=O)C[C@@H]2CCC=CCCC2)C1	1999981786	RUIMSAYCXLOZGT-SHARSMKWSA-N	234.383	4.518	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@@H]1CCCC(C)(C)C1	2000052628	WWXUEESFZFVCMC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(C(=O)CCCC(C)C)cc1	2000192241	PUKYTBVOGGCINN-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCCCN([C@H](C)CC)[C@@H]1CCCC(C)(C)C1	2000907890	RTCPZHFPZFFFCN-HUUCEWRRSA-N	239.447	4.856	0	10	BJAE	
CCC(C)(C)CN(CC(C)C)c1ccccc1	2000910395	ZZLCLEUNWGQXEZ-UHFFFAOYSA-N	233.399	4.585	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@@H]1CC12CCCCC2	2001265938	PXYMQBUMICOIGG-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CN(C)[C@@H](C)[C@@H]1CCCC(C)(C)C1	2002976952	RSANQLRSWULKAS-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
CC(F)(F)C(C)(C)C[C@@H]1CCCCCCC1=O	2003116520	JFWLHKJUYGQDKP-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
Cc1ccc(C(=O)CC[C@H](C)CC(C)C)cc1	2003652828	JLZIOAZQOLUSKN-AWEZNQCLSA-N	232.367	4.640	0	10	BJAE	
CC1(C)CCC(C[C@@](C)(N)C2(C)CCC2)CC1	2004816903	RHYQGNHQLKFAIN-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)C1(C)CCC(C)(C)CC1)C1CC1	2007683611	RMVBRGJZRMNBIE-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1CC(C(C)C)C1	2007766017	QEIXDPFOBURHAC-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](C)CC[C@H]1NCCC	2009619631	NKFGXOJLRRIYDV-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(N)(C[C@H](CC)CCCC)C1	2009788717	DSVDUPOIZDVDGD-QQFBHYJXSA-N	239.447	4.891	0	10	BJAE	
O=C(CCC1C[C@@H]2CCC[C@H]2C1)c1cccs1	2011947799	PSCHMZIGTJVGBA-STQMWFEESA-N	248.391	4.537	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CC12CCCCC2	2013267285	PIFYHMUNQXUWCS-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CN[C@@H](CC(C)C)c1sc2ccccc2c1C	2014293019	QVJZGUURNCHEIH-ZDUSSCGKSA-N	247.407	4.516	0	10	BJAE	
CCN[C@@H](c1sc2ccccc2c1C)C(C)C	2014293887	VLBCHNKNDLTAGV-CQSZACIVSA-N	247.407	4.516	0	10	BJAE	
CC(C)C(CC=C1CCCCC[C@H]1N)C(C)C	2015338191	HQTSSEZBVHDDPH-MRXNPFEDSA-N	237.431	4.523	0	10	BJAE	
CNC[C@@](C)(CCC(C(C)C)C(C)C)C(C)C	2015345623	VCFAOIDERGBBQD-MRXNPFEDSA-N	241.463	4.577	0	10	BJAE	
CCCC1(C[C@H](O)CCC2CCCC2)CCC1	2015631836	ARIHXRCRUFJLGW-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C1(CC(C)C)CC1	2015755108	NMRMMNPLNFLZSK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(NC[C@]23CCC[C@H]2C3)c(C)cc1Cl	2016318808	SKVPFXSNPOBPPU-SWLSCSKDSA-N	249.785	4.559	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C2(C(C)(C)C)CCC2)C1	2017133383	RBXWXCBCKPCMGL-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](CCC(C)C)NC)CC1	2017655388	MPICBIJQLFSBBZ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@]2(O)CCCC[C@H]2C)CC1	2017658475	RWEHYHDOSVXNJY-PRLABOORSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@@H]1CCCC2(CC2)C1	2017709623	IEQCPWBMVMJQGI-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1C[C@H]2CC[C@H](C2)C1	2018080825	SPJLOFWLATYVPG-QXSJWSMHSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H]1[C@H]2CCCC[C@H]21	2018132134	RKZOIJWUWJAUFS-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)C[C@@H]1CCC[C@@H](C)C1	2019171234	BLCNAFSLPUBVHG-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N(C)C1(C)CCCCC1	2019199542	LFVYQWZBFQCBRR-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](C)C2CCCCC2)C1=O	2023992915	ARCLKYYJYHJGNE-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)C[C@H]2CCC[C@H]1C2	2026290521	QBKGKNKBGRPWJM-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1c1nc(CC2(C)CC2)cs1	2026537398	DLMOWDYLBAHKIS-YPMHNXCESA-N	249.423	4.779	0	10	BJAE	
CCCc1ccccc1[C@@H](N)CCCC(C)(C)C	2027901415	LFINVVCSINYXLX-INIZCTEOSA-N	247.426	4.855	0	10	BJAE	
CC(C)CCC[C@@]1(CNC2CC2)CC=CC[C@@H]1C	2027925854	IHLYZGICYAVGRP-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(C[C@@](C)(F)c2ccc(N)cc2)CC1	2027937296	YHDXJXLAYXRCDJ-SEEARECTSA-N	249.373	4.670	0	10	BJAE	
CCC[C@H](C(=O)C[C@@H](C)c1ccccc1)C(C)C	2028257889	MXJGBDJUNYBTHR-ZBFHGGJFSA-N	246.394	4.822	0	10	BJAE	
CCCC1(C(=O)c2ccccc2C2(C)CC2)CC1	2028576458	QDHLIBMZMJZTJF-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1Nc2ccccc2C[C@H]1C	2029837156	NHCZMSPKKUHJRZ-JJRVBVJISA-N	245.410	4.732	0	10	BJAE	
CCN[C@@H](c1cc(C)cc(C)c1)C(C)(C)C(C)C	2032338126	CSYVKLAWZMOBAI-INIZCTEOSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C[C@H]1CC1(C)C	2032425693	AFMYYHLCOUKEBO-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCCCC1CCC(N)(C2[C@H]3CCCC[C@H]23)CC1	2033485929	KGNAXSCTDWSZAC-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
C1=C[C@H](CNc2ccc(C3CCC3)cc2)CCC1	2035596862	FBRLGCFCBZWMHX-AWEZNQCLSA-N	241.378	4.722	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)CC1CC2(CCC2)C1	2038078191	IDWDJCPZAAXGPU-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2038619857	VDXUBGGGZZDVNX-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc([C@H](N)[C@@H]2CCCC(C)(C)CC2)c1	2039378882	WWXLVHUVKYBAAO-GDBMZVCRSA-N	245.410	4.601	0	10	BJAE	
C=CC=CCC[C@H](NC)[C@@H]1CCC[C@@H](CC)CC1	2041378671	FRGRXIQLOSBLNR-ZACQAIPSSA-N	249.442	4.703	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)CCC2CCC2)cc1	2042743005	QARZVJMHSWNZDU-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
O[C@@H](CC[C@@H]1CCC=CCCC1)c1ccccc1	2045346570	UUUZCBJBBAPLGV-WBVHZDCISA-N	244.378	4.637	0	10	BJAE	
Cc1ccc([C@H](N)[C@@H]2CCCC(C)(C)C2)cc1C	2045392698	XBDWKIMFXYUORR-CVEARBPZSA-N	245.410	4.520	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)[C@@H]2CCCC(C)(C)C2)c1	2045507585	TZNQLROLVOYPCL-ZBFHGGJFSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCCC(=C2CCC(C)(C)C[C@H]2CN)C1	2045508026	SRHZZAWFSCIUIW-AWEZNQCLSA-N	249.442	4.668	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C[C@@H](C)c1ccccc1	2045778673	GJUYNHHIOLWLBM-WBVHZDCISA-N	245.410	4.515	0	10	BJAE	
CCCN[C@@H](CCC)c1c(C)oc2ccccc12	2045807712	CNMJVPXUXGQEMI-AWEZNQCLSA-N	245.366	4.582	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)C[C@H]1CC12CCCCC2	2047059908	UAXIAGDFLNJNJO-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C(=O)C2[C@@H]3CCCCC[C@@H]23)CC1	2048368604	BDAOBAJZKPQBRZ-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048447184	RJUTVRXGJANKFN-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC2CCC3(CC2)CC3)[C@@H](C)C1	2049963481	MUTAAWYXXRGEDZ-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
C(CCNC1C2CCCC1CCC2)CCC1CC1	2050013961	MUEVPMFSSQVYHO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NCC2(C)CCCCCCC2)n1	2052512239	FADLKWJKULUSQX-UHFFFAOYSA-N	246.398	4.553	0	10	BJAE	
CCC1(C[C@@]2(CNC)CCCCC23CC3)CCC1	2053355533	JJBKFDQQDHIEOG-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2CCCCC23CC3)C1	2053361848	VBPJZDIVFAQPFY-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CNC[C@]1(CCCC2(C)CC2)CCCCC12CC2	2053362655	XPLMEFHKRRBOJR-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
NC[C@@]1(CCC2CCCCC2)CCCCC12CC2	2053410788	LZVKNVPFXBRGEE-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
N[C@@]1([C@@H]2C=CCCCCC2)CCCCC12CCC2	2053416082	OLJHNNGIWBWBML-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1C[C@H](NC)C[C@@H](C[C@H]2C=CCCCC2)C1	2055036507	XNJGVCMJLGRHBU-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1CCC(N[C@@H]2C=CCCC2(C)C)CC1	2055532114	LRDYEBOPIZGMIA-UYSNPLJNSA-N	249.442	4.536	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@@H]2C=CCCC2)CC[C@@H]1C	2055601449	PGOVITMUKGSURI-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H]1CCC[C@H]1C(C)C	2056446887	ARFNBYULVMTTHO-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC2(C3CC3)CCCC2)CC1	2057603316	FPXRADWVNWLXEX-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CC(C3CC3)C2)CC1	2057833618	YPEYBXRHKJLACH-YUCHNRCRSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1cccc(F)c1C	2059257384	WYMWKGQYDANSEJ-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC1(CNCC[C@@]23CCC[C@@H]2C3)CCCCCC1	2061575963	YMDJMOLNJGIDES-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CC[C@]12CCC[C@H]1C2)C1(CC)CCC1	2061636696	DLKFVRVCIUGFTQ-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
Fc1cccc(CCC2CC(=C3CCC3)C2)c1F	2061729550	XWYWPAFDWURHLC-UHFFFAOYSA-N	248.316	4.788	0	10	BJAE	
CC1(C)CC[C@@H](CN[C@H]2CCCCCC23CC3)C1	2062009000	KCBLHPYBNLIRAH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCN[C@H]1CCCCC12CCCC2	2062603944	SRJDUPMXRKZCJB-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@H](N)CC23CCC(CC2)CC3)CCCC1	2065303069	OBBGDJQGIIZVKI-HWOWSKLDSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CCC[C@@H]3C[C@H]32)CC1	2072869988	XAXVBWNWTXGGBF-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@@]12CCCC[C@@H]1C2	2074029652	OSYMOUDQFIFVRU-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@]23CCCC[C@H]2C3)CC1	2074089574	DQWSVQWDDRNNDJ-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
CCC1(C[C@H](N)c2ccccc2C2CCC2)CC1	2074643374	DWWDMUVAACVDBW-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2C[C@H]3CCCCCC[C@@H]32)CC1	2074648284	HDZDTDPCIUGQJP-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCN(C[C@H]1CCC[C@H](C)C1)c1cccc(C)c1	2074857161	PJUHCGSQDQTYDL-HOCLYGCPSA-N	245.410	4.648	0	10	BJAE	
CCCCN(Cc1cc(C)ccc1C)[C@H](C)CC	2074925095	KSOGDWRCLILWRG-MRXNPFEDSA-N	247.426	4.704	0	10	BJAE	
N[C@H](CCC(C1CC1)C1CC1)CC1CCCCC1	2075823014	HRNBUYZRBCBWQX-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CNc1ccccc1C1CC1	2077262181	NVFZVPWFUFVFEA-DZGCQCFKSA-N	243.394	4.802	0	10	BJAE	
CCCCc1ccc(C(=O)C2(C)CC=CC2)cc1	2077927500	DUBGCWRHRYXGNZ-UHFFFAOYSA-N	242.362	4.568	0	10	BJAE	
N[C@@H](C[C@H]1C[C@H]1C1CCC1)C1CCCCCCC1	2079292916	APCHAYZDDBVXCJ-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@@H](C)NC[C@@H](CC)C(C)C	2081211233	BHEVMBLXEVMYKQ-GDBMZVCRSA-N	247.426	4.582	0	10	BJAE	
CC[C@H](N[C@H]1CC(C)(C)C1(C)C)c1ccccc1	2084371831	RNLAPKKGGJLFOA-GJZGRUSLSA-N	245.410	4.552	0	10	BJAE	
C[C@H](CC/C=C/c1ccccc1)CC(F)F	2210663292	ZYTSSZNXZJOCCA-GCZGVDRJSA-N	224.294	4.771	0	10	BJAE	
CC1=CCCC[C@@]1(O)CCCCCCC1CC1	2213574668	WPVOBRZJFVEOBK-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(N)c1SCCCCCC1CC1	2214557297	SONYVFGPIYAEEE-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(CCCCC2CC2)C1	2214583180	OBLSDTLUCCKSTN-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1CCC1(O)CCC(C)(CC)CC1	2215246812	FNTJRLTURFNZNM-QRNKSROTSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)C(=O)CC1(C)CC2(CCC2)C1	2215442052	LXCWLZNKMOBUSB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC(C)(C)C(C)C)CC1	2215820097	ARCRXASGGSGETE-MRXNPFEDSA-N	236.399	4.764	0	10	BJAE	
CC[C@H]1CC[C@@]1(O)CCCCCCCC1CC1	2216878513	CXXVLWUNJOVIPM-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1C[C@@H]2CC[C@@H]2C1	2217280578	JNVZHWANYLSPMP-DABQJJPHSA-N	249.785	4.503	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](N[C@@H]2CCCC23CCC3)C1	2218035330	OVPAVOVXSFVCJG-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
O=C1CCCCC[C@@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218327917	OKMBEALBXLWXKT-FXUDXRNXSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218348096	DTXOBUKSQJGRKL-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C1=CCC[C@H](CNCCCCCC2CC2)CCC1	2218753806	HTXZMPOPSGETMQ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](CC=Cc1ccccc1)C[C@H](C)CC	2219089245	ZFIKLCBENJHSAS-NVXWUHKLSA-N	245.410	4.504	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)Nc1ccnc(C(C)C)c1	2220863057	FRTUZBQKUPIBEA-KBPBESRZSA-N	248.414	4.688	0	10	BJAE	
CCN[C@H](C[C@]1(C)C[C@H]1C)[C@]1(C)CC=C(C)CC1	2221634749	CSHJJBUUSHHDQA-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@@H](C)C2CCCCC2)CC1	2221644984	VTWJPRFJSYFDPV-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCNCc1cc(C2CCCCC2)ccc1C	2221805951	HQJXHCIAHKFPKL-UHFFFAOYSA-N	245.410	4.542	0	10	BJAE	
CCC=C1CCN(CCCCCCCC2CC2)C1	2223116428	HBTKDBIULHSJQH-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)[C@H](C)c1ccccc1	2224175909	IWFRUKHYJPDESP-IJEWVQPXSA-N	244.378	4.576	0	10	BJAE	
CCCC(N)(CCC)CCCC[C@@H]1C[C@H]1C	2243047827	IAXSCVYSEGGBQN-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@@H](CC)CCC	2244799422	BKJXJTQRVBNDPN-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC[C@H]1CCC[C@H](C)C1	2246724575	DPWGNTGJIFRDTF-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC(=O)CC1CC2(CCCC2)C1	2246820663	UVRJSGDWZCTVGP-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)C(C(=O)CCCC[C@H]1C[C@H]1C)C(C)C	2247176235	NUISGEHCTWRDQA-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CCc1cccc(F)c1NCCC(C)(C)CC	2248087566	XLPKYVPSJGBJFZ-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C[C@@H](C)C1CC1	2248808522	OCGVBVOHXXWJTM-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)C1(C)CCCC1	2248810245	VUKRWPKMEXSBKQ-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCSc1ccccc1N	2248841811	OZNDXBSQVCKUAP-OLZOCXBDSA-N	249.423	4.577	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC[C@@H](O)C1CCCC1	2248848941	AZBXWBJUPSVVGX-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc(C(C)(C)C)c1	2249259221	PURFZOWMKDJEQY-CQSZACIVSA-N	233.399	4.975	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CC)[C@@H](CC)CCC	2250361784	PWHHQQQREFGKDM-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](C)(O)c1ccc2ccsc2c1	2253085477	COZGKKPWPIZTKO-HNNXBMFYSA-N	248.391	4.689	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1(C)CC2(CCC2)C1	2254583274	JIHWZCCKTQZIHO-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@H]2C[C@@H]2C)c(C)c1	2254612523	WJENDSNHXQEWPM-ZFWWWQNUSA-N	244.378	4.703	0	10	BJAE	
O=C(CC1=CCCCC1)C(C1CCC1)C1CCC1	2255049423	HPQKTSYZUDOFTH-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](C)CCC(C)C)cc1	2256253385	OVJAPGRPJUPGOU-AWEZNQCLSA-N	246.394	4.894	0	10	BJAE	
Cc1ccc(OCCCCC[C@H]2C[C@@H]2C)c(C)c1	2257246119	DLOJQWRYPDGYJR-HOCLYGCPSA-N	246.394	4.899	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C(C1CC1)C1CC1	2257256460	MJAWBOHDXLMNDA-SWLSCSKDSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@H](CNCCCCC[C@H]2C[C@@H]2C)CC1	2257311206	LHOWLEPZLFPRGQ-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(N[C@H](C)C2CC3(CC3)C2)cc(C)c1C	2258235702	ZASBYGGPWFWIQU-CQSZACIVSA-N	243.394	4.602	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1cc(C2CC2)ccc1F	2259126235	MBEAVTIJSUCPNV-IAQYHMDHSA-N	247.357	4.694	0	10	BJAE	
CC(C)NCC1(C[C@]23CCC[C@@H]2CC3)CCCC1	2260684733	MYAXHACNZFLTDH-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CNc1cccc(C2CCCC2)c1	2260715589	HZZDTNUSDKWYFM-DYVFJYSZSA-N	243.394	4.802	0	10	BJAE	
CCC[C@@]1(CC[C@@H]2C[C@@H]2CC)CCCCCN1	2298129007	ZBKDRRNYNCJQHG-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](NC)[C@@H](C)CC1CCC1	2298850594	IPEBUUBITOYDNC-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H]1CNC2(CCCCC2)C1	2300699766	IHXKZHMZSSVXAF-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCC(CC)CC)C1	2300701351	QRFADUYMACJPFM-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC=C(C)CC)CC[C@H]1C	2300897481	SXGYRCLILWMDDJ-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2CCCCCC2)C1	2301242229	QIZWKUZBZYYXHY-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cc(F)ccc1C(C)C	2301907674	LFNKCAFOFJOPTL-NWDGAFQWSA-N	237.362	4.796	0	10	BJAE	
CC(C)C(CC[C@](C)(O)[C@@H](C)C(C)C)C(C)C	2301919409	ORWZPUKTRCEZKE-HOCLYGCPSA-N	242.447	4.738	0	10	BJAE	
CCCC1CCC(N)([C@H](C)[C@H](C)C(C)C)CC1	2301963874	GBTULOWMUAVKER-WXLSXGNJSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CC[C@@H](c2nc([C@H]3CC3(C)C)cs2)C1	2302260124	UEMOTEXUCXEHPD-IJLUTSLNSA-N	249.423	4.950	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@H]2CCCC[C@H]2N)C1	2302512789	JMQLNSKWLFIKEP-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@@](O)(C[C@@H]1CCC(C)(C)C1)C1CCCC1	2302896670	SUPIGUSPZWUMHN-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2CCCCC2)CC1	2303601972	IKIJZHKVBVEJCL-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCCNCC(C)(C)CC[C@H]1CCC(C)(C)C1	2304429279	VMMSRUSMKWNBDU-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CO)CCC(C)=C(C)C1	2307876007	JJYFRTAZTSXXIF-HZPDHXFCSA-N	238.415	4.702	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](N)CC1CCCCC1	2307901801	ZOHFRLQAEOWBHZ-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)CN(C)CCCC[C@@H]1C[C@@H]1C	2307904254	TUBCPYABSLTLAA-HRCADAONSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@H]2CC[C@@H]3C[C@H]23)CC1	2308151923	DGWAGXZMLWSRNW-IIAWOOMASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1CCC[C@@H]2C[C@H]12	2308614928	CMXVVMQUEHATCI-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCC1	2311526191	WMMKUHWLVXENIH-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1	2311893278	XKWWFTWNOCRYAI-GBJTYRQASA-N	248.410	4.598	0	10	BJAE	
C[C@@H](NC[C@@]12CCCC[C@@H]1CC2)C1(C)CCCC1	2313340428	LPPAUSIWYTXJST-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C1CC(=C2CC2)C1	2316248995	VHOMXZHIWGDMGF-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@H]1C[C@H]1C1CCCC1	2316507711	DMYPQJSETRLNPY-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCC[C@@]1(CN[C@@H](C)CC)C[C@H]2C=C[C@H]1CCC2	2316731191	MVHTXHLHUZWZKH-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](C1CCCCCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316791239	MURFYIBFMCESSE-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(NC[C@H]2C[C@H]3CCC[C@H]2CC3)c1	2317003804	KYYGQENXWNRDTI-HRCADAONSA-N	243.394	4.623	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)CCC1(C)CC1	2318595476	QAMDIZYMJCSBQV-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@@H]2CC23CCC3)cc1	2318905288	ISZSZGCNNLPNQZ-HIFRSBDPSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)C[C@@H]1C=CCC1	2318943553	HMZXVBBXHYTEOC-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cc(F)ccc1C1CC1	2319176151	NODZUTMVGJHYAT-MNOVXSKESA-N	248.341	4.568	0	10	BJAE	
CCc1cc(N[C@@H]2CCCC[C@H]3C[C@@H]32)ccc1C	2319251600	FXSAWBSUDIKDAM-BHYGNILZSA-N	243.394	4.548	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cccnc1C(C)C	2319474758	AZWCHFNKPGIHGG-UHFFFAOYSA-N	245.366	4.524	0	10	BJAE	
CCCC1(CN(C)C[C@H]2CCC(C)=C(C)C2)CC1	2320399240	VZBGWXPJWQGOPK-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CCCC(C)(C)NCc1cccc(C2CCC2)c1	2320610824	SFVPGGKIROHTFE-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)CC23CCCCC3)C1	2321608403	ORVKJPQSDQPCJY-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)CCC2CCC2)c1	2327677971	OZXXIPYXYJOADK-KRWDZBQOSA-N	246.394	4.732	0	10	BJAE	
Cc1cc(-c2cc3ccccc3[nH]2)c(C)s1	1519039	KTPCBRMSJMJWIK-UHFFFAOYSA-N	227.332	4.513	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccc(F)c(Cl)c1	20429736	VJHIHXVFWIJISR-SNVBAGLBSA-N	243.753	4.716	0	10	BJAE	
CC(C)C[C@H](C)Nc1ccc(C(C)(C)C)cc1	21796477	FMRJPZKPQMPPAA-ZDUSSCGKSA-N	233.399	4.831	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccccc1F	21810158	IXWCUXWJSGNYJU-WWGRRREGSA-N	249.373	4.698	0	10	BJAE	
CC(C)[C@@H](N[C@@H]1CCC[C@@H](C)C1)c1ccccc1	35016201	UIRDNLOTVDXAAY-DJIMGWMZSA-N	245.410	4.552	0	10	BJAE	
CC[C@H](C)c1ccc(NC2CCCCC2)cc1	36953517	DMIXVRPNBGXVFD-ZDUSSCGKSA-N	231.383	4.945	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1cc(F)ccc1C	70977640	JKDYPCPBKCSMGH-GXTWGEPZSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](NC)C(C)(C)C	71083926	IXLVPCSEGAWLFU-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H](CCC(C)(C)C)C1	80415742	UZVUZNDBEOFOMF-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCC[C@@H]2C)CC1	86893891	UIHAUUYDDGLFAD-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CCC(C)(C)C1	87769139	PUHXNCRYHLFMEN-LBPRGKRZSA-N	237.774	4.639	0	10	BJAE	
CC[C@H](C)c1cccc2cc([C@H](O)C(C)C)oc12	88072420	FEJGUGPUNCPYOK-XHDPSFHLSA-N	246.350	4.636	0	10	BJAE	
CCCN[C@@H](CC)c1cc2cc(C)cc(C)c2o1	88074999	WRYACKJVZAYTTO-AWEZNQCLSA-N	245.366	4.500	0	10	BJAE	
CCC(CC)[C@@H](N)c1ccc(C(C)(C)CC)cc1	90482770	NUUXXCHNKWVHJY-MRXNPFEDSA-N	247.426	4.810	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)c1ccc(C)c(C)c1	103985554	ZYVYFPWJYNSBSP-HOCLYGCPSA-N	233.399	4.533	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1CC1CCCC1	112869554	QEVRHRFLIVFABY-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@@H]2CCC(C)(C)C2)c1	131310987	LPUIBMYAWOTGAI-GOEBONIOSA-N	245.410	4.533	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cc2cc(C)ccc2o1	135620256	ROOCFOXFSXGOHD-LLVKDONJSA-N	244.334	4.750	0	10	BJAE	
CC1([C@H](O)c2cccc(C3CCC3)c2)CCCC1	160200500	DECICLYHKFAWLO-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)c1ccccc1CC	163404693	BPEWKEQTLGZOHN-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H]1CCC[C@H](Nc2ccc(C)nc2)CC1	164814645	GSLJSAUCDWELRU-GJZGRUSLSA-N	246.398	4.551	0	10	BJAE	
CCCN[C@H](CCCC(C)C)c1cccs1	165792117	YXXRHEKSRODVSW-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC(C)C)NCCC	168022936	XEFRNKKUZSMLMC-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@H]1CC(C)(C)CC[C@@H]1CNCC	212292577	SGAZMHKIVMRWNA-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
Cc1ccccc1N[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2	226968193	ORZZAWDYSXXOIN-QRTARXTBSA-N	243.394	4.622	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1N[C@H](C)C1CCCCC1	227918871	ALWRFQFXRKPJSM-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H](C)C2CCCC2)c1	232229064	BVESHZIADDKQNV-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CCCN[C@@H](c1ccccc1CC)[C@@H](C)CCC	233176586	JCZZLFBYWWDHNR-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
C[C@@H](c1cccc(C=O)c1)C1CCCCCC1	258286386	CRSNSAZDIPIJFL-CYBMUJFWSA-N	230.351	4.573	0	10	BJAE	
CC1(C)CCC[C@@H](c2ccc(C(C)(C)O)cc2)C1	258367123	PPYPCVWOQHWFOH-CQSZACIVSA-N	246.394	4.598	0	10	BJAE	
CSc1ccccc1NCCCC(C)(C)C	300940183	WAEDNPOKKAOIJH-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CC(C)c1nc2c(s1)C[C@H](C)c1ccccc1-2	302560129	XZNVMTGVMZMDMB-JTQLQIEISA-N	243.375	4.593	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1ccc(C(C)C)cc1	304488928	MCNFUWHTMKMIIR-CYBMUJFWSA-N	232.367	4.675	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CC1(C)CCCC1	308031632	OSJLBVRFKKXHIP-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
Clc1ccccc1-c1ccc2ccoc2c1	309212994	DXCTZPAYLXDPFG-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
CCC1(C[C@@H](O)C2CCCCCCC2)CCC1	310289248	YNVVUWNWGYOYSU-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)CC2CCC(C)(C)CC2)C1	310520213	NINBFNKAKPVUEE-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@@H](O)c2ccc(C(C)(C)C)cc2)CCC1	310785434	CNQDGCXIWLZFOQ-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CCC[C@@](O)(CC1CCCCC1)C1CCCC1	313481874	YKIZRDPYXNZSPY-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C/C=C\CC1(CNCCC)CCC(C)(C)CC1	318313343	PPDTVMGBADNUTG-ALCCZGGFSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)c2cc(C)cc(C)c2)CC1	328372404	WMQYWNNRVWWZQA-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
CCC[C@@H](C)n1ccc2ccc(Cl)cc21	379604344	ZIWGCAPYPVREPR-SNVBAGLBSA-N	221.731	4.656	0	10	BJAE	
CC1(CCN[C@@H]2CCC[C@H](C3CC3)C2)CCCC1	381265825	QIXPMNBBUNOYJM-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CNC(C)(C)C)C[C@H](C)CC(C)C	382681933	UTFNBWYTVNVEBC-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCc1ccccc1[C@H](NCC)C(C)(C)CC	384534474	DGXJMJSNKKBMKM-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CCCC(C)(C)C	385100436	ZORJPSCTZVPEJG-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](Cn2ccc3ccc(F)cc32)C1	385279805	KGEGMAQUVDPGLV-OLZOCXBDSA-N	245.341	4.607	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C1(C)CCCCC1	385865908	IGJCCZRJLJXURK-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](C=C(C)C)c1ccc2sccc2c1	386418039	LAUNUZYHSGEXPP-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
CCC[C@@H](NCC[C@@H](C)CC)c1cccs1	394466206	WCUDLZSSXCRSIY-QWHCGFSZSA-N	239.428	4.615	0	10	BJAE	
CC[C@H]1CCC[C@H]1NCCCC1CCCCC1	395174037	NYQPLNXSAPHNSD-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCOc1cc(CC)c(Cl)c2sccc12	396184164	BBEDCFBDHPMOCB-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1cc2c(Cl)c(CC)ccc2s1	396193359	SKAQYXSCVXYOHS-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1ccc2c(C)csc2c1C(F)(F)F	396200555	QPYBASALPZUBMM-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
Cc1cc(C(F)(F)F)c2ccsc2c1C	396205599	YJBKBFHUTLMHHB-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCC[C@H](N[C@H](C)C(CC)CC)[C@@H]1CC1(C)C	397599303	MSDNIEDSHXFNCZ-SNPRPXQTSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C[C@H](C)C1CCC1	398621727	FUVRWNBWUPVCDV-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1[C@H](NC)[C@@H](C)C(C)(C)C	399081285	XIZRACWXLDMXFJ-CZUORRHYSA-N	247.426	4.582	0	10	BJAE	
CC(C)NC[C@]1(CC2=CCCC2)CCC[C@@H](C)C1	401067209	HVZWFDWDIGXKFD-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)[C@H]1CCCCC1(C)C	402372205	SVEJKXQDPSNUJQ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CCCC1CC1)CNC1CC1	405971994	VMIULUKBIRMKIR-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CNCC1(CCCC2CC2)CCCCCCC1	406075632	SWFYLVQKSTZENY-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC(C)C1(CNc2ccccc2C(C)(C)C)CC1	687538729	RLDSMEFDDLGTPP-UHFFFAOYSA-N	245.410	4.832	0	10	BJAE	
CCCCCC[C@@H](C[C@@H](CC)CC(F)F)NC	688899127	NJHSVGGJWWJJOP-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(c2cccc(C(C)C)c2)C1	688936696	CGLUUMPQLGLPGN-YOEHRIQHSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@H](CC)Nc1cccc(C2CC2)c1	690160195	QSRIFGTYVCGUJA-HNNXBMFYSA-N	231.383	4.945	0	10	BJAE	
CCC1(CN[C@@H]2CCCCC[C@H]2C)CCCC1	691088188	JWMQUOVEPRYCKB-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)C[C@H]1CCC[C@@H](C)C1	691190842	XDYKHLNZFCODLZ-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@H](N)C1CC2(CCC2)C1)C1CCCCC1	691880094	UCXSTQNSNPMYMV-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1=CCCCC1)[C@@H]1CCCC2(CC2)C1	695944028	IRDFMTTZCHPRKW-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cccc2ccsc12	696269813	YBQGMGIBGRZMQV-ZDUSSCGKSA-N	247.407	4.727	0	10	BJAE	
CC(C)=CCC[C@H](O)c1c(C)oc2ccccc12	697603411	DCZUEZZIVPDOSG-AWEZNQCLSA-N	244.334	4.521	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@]1(C)CC[C@H](C)C1(C)C	699087935	GYJQYNRZMJEPDC-YXWQFLTLSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H]1C[C@H]1C(C)(C)C	700009656	AEWQSNDZHJXEIJ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(N)CCCC[C@H]2C2CC2)C1	704473220	KNCNYTHSBRJCNQ-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](CCC=C(C)C)C1	704938575	CUEAAVNDNUBBAM-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(N[C@@H]2CCCCC[C@@H]2C)ccc1F	709147502	HWEJSTGOOMTAAG-XHDPSFHLSA-N	235.346	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(O)CCCC(C)(C)C1	709255843	CDSOHNQAONJQTC-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCCCCCNC1CCC(C2CCC2)CC1	710166396	PMMYZIGIKJSLLK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C[C@@H](N)C1CCCCCCC1)C(C)(C)C	710757715	AKHVFPUTWWWUBH-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CC(C)C1CCC(O)(CC(C)(C)C(C)C)CC1	713145258	HFMLOJGNHNTRDT-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cccc(C)c1Cl	713189668	UUKCXDXNTCRCRI-LBPRGKRZSA-N	240.774	4.508	0	10	BJAE	
O=C(CC1=CCCC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714501084	MVJLZVWKXLIEOB-ARFHVFGLSA-N	246.394	4.662	0	10	BJAE	
CCCNCC1(C2CC3(CCC3)C2)CCCCC1	717603120	URKGNXCSTADJDS-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CNC[C@@H]1CCCCC[C@@H]1CCC(C)=C(C)C	718494428	MOENGFXGNGTIJW-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)CC1=CCCCC1	718528809	SIIGKJMPZPVSFP-KRWDZBQOSA-N	249.442	4.992	0	10	BJAE	
CC(C)=C(C)CCc1ccc(C)c(F)c1F	718784925	AHCCWLVAHPBVSX-UHFFFAOYSA-N	224.294	4.562	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1C[C@@H]1CC)NCCC	723096807	UXTVNYBQDOAUCX-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1cccc(C(C)(C)C)c1	821963410	NITXDQCZYCFIKL-BBRMVZONSA-N	247.426	4.681	0	10	BJAE	
C[C@H]1CCCC[C@@H]1SCC1CCCCC1	1188675581	AQIDVGNZGIZNBA-JSGCOSHPSA-N	226.429	4.879	0	10	BJAE	
C=C/C=C\CCN1CC[C@@H](CC(C)(C)C)C1(C)C	1460226630	YUAZGOSBHKAUBK-CDNLZTBQSA-N	249.442	4.655	0	10	BJAE	
Cc1ccc(SC[C@H]2CCC[C@H](C)C2)s1	1644009386	GNKYNEVYQQSCBZ-JQWIXIFHSA-N	240.437	4.975	0	10	BJAE	
CC(C)[C@H](C)SCC1CCC(C)(C)CC1	1652688259	DJOSSADBYUOKFM-LBPRGKRZSA-N	228.445	4.981	0	10	BJAE	
CC1(C)CC(N[C@H]2CCC3(CC3)C2)CC(C)(C)C1	1876377139	JCIMDYWOWJXPGI-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@@H](C)CC1CCC1	1899409313	LLUQUAHLBZPCQJ-NSHDSACASA-N	238.758	4.606	0	10	BJAE	
CCCC(CCC)[C@H](O)CC[C@@]12CCC[C@@H]1C2	1908406352	FKERTXXDKPEDTH-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@@]23CCCC[C@@H]2C3)c1	1909911156	VDNWSZWQQSPYEZ-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CCC[C@@H](C)C=C(CNC1CC1)C1CCCCC1	1912115081	VPBCPSLOEBFVTA-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
CCCC=CCN[C@H](CC)CC1CCCCC1	1914683945	IZXAXGFBDLPEMG-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(O)CCC2(CCCCC2)C1	1915857148	HATUYUZOJQMSAQ-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1C[C@@H]1C1(O)CCCCCCCCCCC1	1919621054	QFQHOKIYOXFRNO-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@H](C)CC(C)C	1920186794	IDBXLKYHGMRYOZ-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
CCCc1ccccc1OC[C@@H]1C=CCCCC1	1925808461	XRTHFALSJNNZPE-OAHLLOKOSA-N	244.378	4.764	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cc(Cl)sc1C	1933603464	WADOURBFWCTVRB-LLVKDONJSA-N	246.803	4.570	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CCCC(C)(C)C	1939040757	BIRUGBSVACDAMX-DZGCQCFKSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](C)C(=O)[C@H]1CCCC(C)(C)CC1	1939899331	KLODYTGACCFPPW-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CSc1cccc(NCCC[C@H]2CC2(C)C)c1	1940874884	GNPUOGMYVFLZGC-LBPRGKRZSA-N	249.423	4.647	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CCCCCC2CC2)C1	1941582562	XTIGYONBDRKLFS-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CC(C)(C)CC2(CC2)C1	1943082528	RDCZXCDZJCUTSR-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CC[C@H]2CC[C@H]1C2	1947112873	PVWPZDZZZNRGPA-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@H]1CCC	1947455117	SGMRSOQLFBDLOP-ARFHVFGLSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H](CC(=O)[C@H]1CCC(C)(C)C1)C(C)(C)C	1949500984	IUQUKLILDBWOTI-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC[C@@H](C)CC1)[C@H](C)CC	1950929729	JEXDACGRZPZBFG-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(CNC(C)(C)C(C)(C)C)c1	1962886535	PBNXGMJYGIYZHG-UHFFFAOYSA-N	247.426	4.724	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C[C@]2(C)CC)CC1	1966012137	PBZXJYJODYISQE-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(NC2CC(C(C)(C)C)C2)c(C)c1	1968254673	KVONBCDUTYCFKV-UHFFFAOYSA-N	231.383	4.540	0	10	BJAE	
Cc1cccc(OCC[C@@H]2CCC[C@@H](C)C2)c1C	1968364220	ILNBUYKOHVUWKZ-CJNGLKHVSA-N	246.394	4.899	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@@H]2CC(C)C)c(C)c1	1968739648	UJBBPNQQGXOEMK-ZBFHGGJFSA-N	231.383	4.540	0	10	BJAE	
CC(C)C(CN1CCCCCC[C@H]1C)C(C)C	1970731072	ZKWSHFBFSKENJJ-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
C[C@@H](NC[C@@H]1CCCCC12CCC2)C1(C)CCC1	1973672981	OCPGRKFSFMEIMG-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cnc([C@H]2CCC[C@H](C)CC2)s1	1976351230	WAJFAXLQGXENAG-RYUDHWBXSA-N	237.412	4.950	0	10	BJAE	
C/C=C/CCC[C@@H](O)C[C@H](C)CC(C)(C)C	1984603807	QIAXLRANTSKVOQ-HYLRALAJSA-N	226.404	4.556	0	10	BJAE	
CCCC1(C[C@H](O)CC(CC)CC)CCC1	1988460892	CEZRDHJNTAAVFY-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
S=c1cc[nH]cc1-c1ccc2sccc2c1	1989479277	PEQWGZLXZKIJOH-UHFFFAOYSA-N	243.356	4.626	0	10	BJAE	
CCCCCC[C@@H](CC1(CC)CC1)NCC	1990637961	NYQNUVIVAYHALV-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](CC)N(C)CCCCCC(C)C	1990849687	UQRATRCICBKJSN-OAHLLOKOSA-N	227.436	4.713	0	10	BJAE	
CCC[C@@](N)(CCC(C)=C(C)C)C(C)(C)C	1991185027	BWJVGTVRIPWMOZ-OAHLLOKOSA-N	225.420	4.667	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC(CC)CC	1995261742	HHZYWKIIERXANG-ZFWWWQNUSA-N	227.436	4.747	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@]2(O)CCCC(C)(C)CC2)C1	1996263589	AZYDSEVGRBZGJP-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H](C[C@@H](N)C2(C)CCCCC2)C1	1997014715	WHJPDSKKOANSNP-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC)CC[C@H]1CCC=CCCC1	1999997026	UYXVPHXMUDILGO-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCC[C@](O)(C1CCC1)[C@H]1CCCC(C)(C)C1	2000040237	CDVJPYHQHBFLSS-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H]1CCCC(C)(C)C1	2000050306	FMHPVLCWDRKLGP-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CC1(C)CC1)NCC	2002517133	VYBRKQJOSSFBED-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@@](C)(N)CC(CC)CC)CC1	2002925669	OUDAMGSSZBIENT-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H]1CC[C@H](CN[C@H](C)CC)CC1	2003108874	PVPBHGQTDPYKAD-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](O)(C[C@@H]1CCC2(CC2)C1)C(C)(C)C	2003197231	KBLQGUDOUAOLFG-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(CO)CCCC1(C)C	2005564676	DLWWALFPKROHHO-XJKSGUPXSA-N	240.431	4.638	0	10	BJAE	
CCN[C@@H]1C[C@H](CC)C[C@@H](C(C)(CC)CC)C1	2006628968	DIYKYTCFWYUFAX-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C1(C)CCC(C)CC1	2007697606	PTOXGNIZYYBINI-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)c([C@@H](N)C=C2CCCCC2)c1	2007941181	ZBSGXISDLBKELP-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@H](NCCC)[C@@H]1CC	2009617702	VQXWVNKZWHCDFG-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(O)([C@@H]2CCCC[C@H]2C)C1	2009714813	VREMEUJDCWMTEJ-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CCCC1CC(Nc2ccc(C)c(CC)c2)C1	2009718111	SWGLUXHXCNLYSU-UHFFFAOYSA-N	231.383	4.548	0	10	BJAE	
C[C@H]1CC[C@@H](CCCC2CC(=C3CCC3)C2)O1	2011083344	NINZCHLVCRHGEG-BLLLJJGKSA-N	234.383	4.615	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CCCCCC1CC1	2013307712	YUGFRBIXOWNKSL-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC(C)C(C[C@H](O)CC1(C)CCCC1)C(C)C	2015271737	ODZHVCWRYHNNJW-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC(C(C)C)C(C)C	2015373291	AXAOYRPSDXWSRN-CQSZACIVSA-N	240.431	4.946	0	10	BJAE	
CC(C)C(CCCC(=O)c1ccco1)C(C)C	2015390730	PNSPIRVWJTVDTD-UHFFFAOYSA-N	236.355	4.561	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H](C)C(C)C)CC1	2015397220	HNPXHDWOVKWLQN-QQFBHYJXSA-N	239.447	4.747	0	10	BJAE	
CCCC1(C[C@@H](C)C[C@@H]2CCCCN2)CCC1	2015642458	QNUVNLLQRWPGAE-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(C[C@@H](C)CCNC(C)C)CC1	2017733270	INZQYURBZFLQBZ-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CC[C@H]2C[C@H]2C1	2018131352	NVRVKMKNDNTCTO-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC1(c2csc([C@@H]3CCCC4(CC4)C3)n2)CC1	2018315839	AEARPGVWYUAQTH-LLVKDONJSA-N	247.407	4.632	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(CC)C2CCCCC2)C1	2019203252	OCRBFXNKRMTXCL-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H](C)CN(C)[C@@H](C)C1(C)CCCCC1	2019284775	DARIICITGPEJQV-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCCCCN1CC[C@@]12CCCC(C)(C)C2	2019292516	YMOFRKOETGFTMM-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CC(C)CCCN(C)[C@H]1C[C@H](C)CC(C)(C)C1	2019301188	ANQNHZYXQXQYJY-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)(CC)CN(C)CCCC(C)(C)C	2019333037	WCEFPYYWWGKRRB-UHFFFAOYSA-N	241.463	4.961	0	10	BJAE	
CCN[C@@H]1[C@@H](CC(C)(C)CC)CCCC1(C)C	2020349007	QOQAZTQGBFIXDH-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccccc2C2CC2)C1	2021026283	PLMDWWQRNQPUJP-OCCSQVGLSA-N	229.367	4.555	0	10	BJAE	
Clc1ccccc1NC[C@H]1C[C@@H]1C1CCCC1	2022490963	XLNALHXLNYARIO-CHWSQXEVSA-N	249.785	4.578	0	10	BJAE	
CC(C)NC[C@H](C)CC[C@H]1CCCC(C)(C)C1	2024092310	QAWXQAKZEVDZSF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(CC1CC1)C[C@H]1CCCC(C)(C)C1	2024123579	MEJVHVFNJPGOOG-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(CC[C@H]1C(=O)CCC[C@@H]1C)C(C)C	2024612072	BQMCDRYPOBJWNU-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H]1CC(C)(C)C1(C)C	2025066252	BZUQQAMVSASQTC-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
CC(C)c1ccccc1NCCC1(F)CCC1	2025275964	WGPPUTLIYMFJKG-UHFFFAOYSA-N	235.346	4.504	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)C1=CCCCC1	2026165191	ZLKSXAZDPZAZLN-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
Cc1ccccc1[C@@](C)(N)CC1(C)CCCCC1	2027305867	FEJLINBSNPBUGZ-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CCC1([C@H](N)c2cccc(C3CC3)c2)CCCC1	2028551897	KOAUBAIPZGVQHE-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
C[C@H](C(=O)c1ccccc1C1(C)CC1)C(C)(C)C	2028574937	CDSSOMQMLGEFSW-GFCCVEGCSA-N	244.378	4.603	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]3C2)cc1	2029081778	XIYJTPVDAAELIX-YWVIFJGQSA-N	243.394	4.585	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)[C@@H](C)CCC(C)C	2029823869	JPIGDHFNDUCGHM-USXIJHARSA-N	248.410	4.613	0	10	BJAE	
CC[C@@H](C)C[C@H](N)c1ccc(C2CCCC2)cc1	2031748576	XNPRQTHMKPAHOZ-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H]1CCCCC12CCC2	2035891123	JCXUZRLGTBSQFN-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)c1c(C)cccc1C	2037041580	YYYNBXWHXCGTSP-UXLLHSPISA-N	245.410	4.520	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@H]2C=CCCCC2)C1	2037272907	IHIKHMUJJVMKCA-GVDBMIGSSA-N	249.442	4.667	0	10	BJAE	
N[C@]1(C[C@@H]2C=CCCC2)CCCCC12CCCC2	2037304660	GUGLXCUOBWRTHE-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CCCC1([C@H](N)[C@H]2CCC3(CCCC3)C2)CCC1	2037703011	MQYCTBBNVCMBTD-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@]1(CNC2CC2)CC12CCCCC2	2039006251	NZUKHBDEBANZSC-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCCCC[C@@H]1C	2039452568	KLIOOMVXNCDNJD-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1ccc(C2CCC2)cc1	2040723616	MAZKOGSZBHWCEL-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2ccccc2F)CC1	2041384798	WXGVSADZYQNKGW-STQMWFEESA-N	248.341	4.615	0	10	BJAE	
CCC1(C)CC(CNC[C@H]2CCC=CCCC2)C1	2045321309	UQUWEYWECVQSKO-GTPINHCMSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1C[C@@H]1c1ccc(C(=O)C2CCCCCC2)o1	2045561785	JESXOLAKIWBGOS-AAEUAGOBSA-N	246.350	4.556	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)c1cc(C)c(C)cc1C	2045747617	ICUVZPIOYKVLEY-SJCJKPOMSA-N	247.426	4.699	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@H]1CC12CCCC2	2047060667	ZFOJTPYCZYIYLL-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048364650	AKQHYYCXFTZGFC-LJIGWXMPSA-N	246.394	4.518	0	10	BJAE	
CC[C@H]1CCCC(=C2CCC3(CCCN3)CC2)C1	2048949042	OKYGLBDAPFFIHL-MBIQTGHCSA-N	247.426	4.579	0	10	BJAE	
CC1(C(=O)[C@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2049167328	CECPOOUAOBXFTG-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2049196672	AOELQXLNJDYXFL-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)C2=CCCCCCC2)C1	2049530675	YAIGFVFSGCWMOC-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)CC2CC3(CC3)C2)C1	2049535655	GUGJDOGQPGXUJZ-HOCLYGCPSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)C1=CCCCCCC1	2049787686	AXQIOEOUBAFZTP-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@H]1CCCC2(CC2)C1	2049952674	YYVACIPTNWLLPH-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
C[C@H](NC[C@@]1(C)C=CCC1)C1CCC(C)(C)CC1	2049986098	FPFVCQUHSSJEMA-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(CC2CCC2)CCCCC12CC2	2053354924	HJGDKBFGEOISNI-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H]1C[C@H](CC2CCC=CCC2)CC[C@@H]1C	2055599757	MQBWBTSWVKHBPW-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1[C@@H]2CCCC[C@@H]12	2059256931	TWSDQROMZFHXBA-WQHDIMKJSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@@H]21	2059261575	FSLMKHXQOCCWNK-XTJKPPFFSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1CC(C2CC2)C1	2059268100	VNELHJOBCVBTRP-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)C1CCCCC1	2060926992	VJHFHCHDSDPYGW-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@@H]2CCC(C)(C)C2)CC1	2061085251	PNYYNCSZEOMMER-BMFZPTHFSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](CC)CC1)C1CCCCC1	2061097573	CQKRRGPPMSLDQR-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1C1=CCC(C)(C)CC1	2061146428	HHUZOFPTMAOZAF-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C1=CCC(C)(C)CC1	2061146431	HHUZOFPTMAOZAF-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
NCC1(CC[C@]23CCC[C@@H]2C3)CCCCCCC1	2061623312	QROFFJODXVXVRR-WBVHZDCISA-N	249.442	4.646	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1CC(=C2CCC2)C1	2061704924	WTEMMGSKMQGXJG-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCOc1ccc(CC2CC(=C3CCC3)C2)cc1	2061725946	KMSJXXSTWRBCBC-UHFFFAOYSA-N	242.362	4.518	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@H]1CCCCC12CCC2	2062636617	DMZOAFFHWSIEQQ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@@H](CC2CC3(C2)CC(C)(C)C3)C(=O)C1	2063209250	SUQNHXAIODTQFN-JSGCOSHPSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(NCC2C[C@@H]3CCC[C@H]3C2)c1	2063471238	JQLICIIEMXGJFP-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CC23CCC(CC2)CC3)C1	2065281842	KMYZNBDMHYFNDE-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@@H]1CC12CCCCC2	2070303039	FIRGJWLAJIVRMX-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CCCC1CCC(CN)(C[C@@]23CCC[C@@H]2C3)CC1	2070968193	SICJWWPKVSQJCV-MYBQVCMBSA-N	249.442	4.502	0	10	BJAE	
CN[C@H](CCC1(C(C)C)CCC1)c1ccccc1	2071946781	UGZMCPDMXJLAAV-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CCC1(C[C@]2(N)CCCCC23CCCCC3)CC1	2074628967	KEICTHABXZVGHA-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2Cc3ccccc3[C@H]2C)C1	2074892385	NEPDJRCRPJDRAD-IIAWOOMASA-N	243.394	4.532	0	10	BJAE	
N[C@H](CCC[C@H]1C[C@H]1C1CC1)CC1CCCCC1	2075820398	KKKDCKNVNVNLSK-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
Cc1c(F)cccc1C(=O)C1(C)CCCCCC1	2077848810	LKYWHJXPUVJAFJ-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
Cc1c(F)cccc1C(=O)[C@@H]1CCCCC1(C)C	2077850402	UOYMBVJLSIHXGX-ZDUSSCGKSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1N[C@H]1CCC2(CCCCC2)C1	2079531193	QPOGBXWHXJRKSJ-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@H]1C1CCCCCC1)C1CC1	2079532902	XOEUJFUSGCBXNG-YESZJQIVSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC1(CNC2CC2)CCCCC1	2079665836	NTKOUNUZJNUQDI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@]1(C[C@H]2C[C@H]2C2CCCC2)CCCN1	2079705687	IRCADCQUHFULON-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2C[C@@H]2C2CCCC2)CCCC1	2079732387	KRBAQTSPCJHRHT-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1CC1)C[C@@H]1C[C@@H]1C1CCCCC1	2079839654	VUBLSMDDBLGODF-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2C[C@H]2C2CCCC2)C(=O)C1	2079849753	AVOMSTGDXJBRJU-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@]2(C)C=CCCC2)C1	2082986710	NLFFUXKBSWNWEJ-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1cccc(C(C)(C)C)c1	2083552185	HPZIFVGXMSWSMZ-HOTGVXAUSA-N	248.410	4.700	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)C[C@H]1CC12CC2	2086353729	YGNCQCBBAIADLV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1N[C@H](C)CC[C@@H]1CCCCCCC1CC1	2213576302	OMJRXYVVOQKVBC-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCCC1CC(NCCCCCCC2CC2)C1	2213580598	MSQYFANVERWFSA-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@H]1CC[C@@H]1C	2215095069	CICSAWMUKOGGMD-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC1(C)CC2(CCC2)C1	2215401912	RXTXYSFXPYPOMR-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CC1(CC[C@@]2(N)CCC[C@@H](C(C)(C)C)C2)CC1	2216250494	AYJITANHQVPAJI-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCC(F)F)CCCC(C)(C)C	2216418083	BTQHIJLQGOKMJW-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
NC[C@@]1(CCCCCCC2CC2)CCC12CCC2	2218720026	DTTYJRDDOCOAAV-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C1[C@@H]2CCCC[C@@H]12	2218724039	FHONAKCDGBOBHX-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)CCCCCC2CC2)CC2(CCC2)C1	2221007404	QSMPINJGBIKJMZ-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@@H](N)CC2(C)CC(C)(C)C2)C1	2221026157	SIDJGGWWFLKHBW-CFVMTHIKSA-N	249.442	4.523	0	10	BJAE	
CC1=CC[C@@](CN)(C[C@H]2CCCC(C)(C)C2)CC1	2221665149	FAIDKYMHSDXJAW-RDJZCZTQSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1N[C@H]1CCC[C@H](C(C)(C)C)C1	2222260260	AJXKTRQRXDRTRU-UGUYLWEFSA-N	249.442	4.536	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)c1ccc2occc2c1	2224148237	CKAPAMIYZZBFII-IAQYHMDHSA-N	245.366	4.505	0	10	BJAE	
CC(=O)CC(C)(C)CC[C@@H]1CCC[C@@H](C)C1	2242770439	PBVFBHCCNRXTOT-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)CC1=CCCCC1	2243236676	ZHYLFABNJOWDJP-OAHLLOKOSA-N	223.404	4.565	0	10	BJAE	
CCC(CC)C(=O)CCCCC[C@@H]1C[C@@H]1C	2243886933	ZCKBIHSKECPJBM-GXTWGEPZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1CCC(C)CC1	2244773823	CIZXDPPZEXMXQX-RUXDESIVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)c1csc(C)c1	2244778968	BZNPYNSKWDWKMP-TZMCWYRMSA-N	239.428	4.533	0	10	BJAE	
CC(C)CC[C@H](N)CC[C@H]1CCCCC12CC2	2246620407	MPHILMOTDRJPSA-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@H](C)CCC[C@H]1CCC[C@H](C)C1	2246727629	NUEUMNVEKQLNHA-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](N)CC1CC2(CCCC2)C1	2246761319	NRQRTAWRYPZGMR-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@@H](N)c2csc(C3CC3)c2)CCCC1	2248061265	NXGLFLAJLYPBKV-CYBMUJFWSA-N	249.423	4.596	0	10	BJAE	
CCCCC[C@H](C)Nc1c(F)cccc1CC	2248100144	MKWQAEKLFUAUBN-LBPRGKRZSA-N	237.362	4.769	0	10	BJAE	
CC(C)C[C@H](C)N(C)CCCCC[C@H]1C[C@H]1C	2248839395	CPPDRQMGQQCOIX-PMPSAXMXSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC1(C)CCCCC1	2248864167	BCKBYICCPBFQAT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)CNCCCCC[C@@H]1C[C@@H]1C	2248865253	HZWWZXOHSOYBHK-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC1C[C@H](C)C[C@@H](C)C1	2250351301	BQOWPTCPTOREEZ-LUYZLQTOSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1[C@H](C)CC[C@H]1C	2250519986	YZWLWPYCGBNMTN-ARFHVFGLSA-N	239.447	4.712	0	10	BJAE	
CCC(CC)(CC)CN[C@@]12CCCC[C@H]1CC2	2251126117	QVGUKBRJYKNHCD-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
N[C@@H](C=C1CCCCC1)C[C@@H]1CCCCC12CC2	2253790016	DSSVPBKYMKTVGN-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](CC1CC1)NCC[C@@H]1CCCCC12CC2	2253883205	HNDTZYFQDVWUSD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@]2(C)CC=CCC2)C1	2253935554	OKOTYJUVKZPLLU-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC(CC(=O)CC2CC3(CCCC3)C2)C1	2254105174	OKUJXEAEGFKHJA-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C1CC(CC2CC2)C1	2254589416	BNOMSGTVWIADGD-LKGAJIBZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC[C@@H]2CCCC23CC3)CC1	2255227486	PGCFRYDVGBATNX-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1CC[C@@H]1CCCC12CC2	2255266961	NTMDYTVMQDLIHD-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NCCCCC[C@@H]1C[C@@H]1C)c1ccccc1	2257338614	HZCDNAOPXBORAL-YQQAZPJKSA-N	245.410	4.554	0	10	BJAE	
C[C@@H](Nc1cc(C2CC2)ccc1F)[C@@H]1CC1(C)C	2259125324	FJPHLTHUUGINAQ-MFKMUULPSA-N	247.357	4.550	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cccc(C2(C)CC2)c1	2259436964	PVELPRLEYGBNFX-CYBMUJFWSA-N	244.378	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCN[C@H]2CC[C@H]12	2259616346	SWAJZVPXFZFPIF-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CN(C[C@]12CCCC[C@@H]1CC2)C1(C)CCCCC1	2260572111	ZLWIJBVLNZVTJU-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@]23CCC[C@@H]2CC3)CC1	2260583691	QBVIRGXNJDKQAK-PVAVHDDUSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@@]12CCC[C@H]1CC2	2260587841	PEVQXKXZNKZIQD-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](N)C[C@@]23CCC[C@H]2CC3)CC1	2260599243	DMGXAKRFJRSOPS-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@]23CCC[C@@H]2CC3)C1	2260650187	BQYGWSVDRPHNQR-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@@H](C)NCc1cccc(C(C)(C)C)c1	2261364435	WPXRYOCBOOUDDK-CQSZACIVSA-N	247.426	4.508	0	10	BJAE	
CCN[C@H](CCC1CC(C)C1)C1=CCCCCC1	2261503075	GIWVYVOETAMHCW-VMBOVVBDSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)[C@@H](C)CC1CCC1	2298849123	KSEASWPOYFZNGV-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2cc(C3CC3)ccc2Cl)C1	2300671232	FWYOPCHBFTUTHR-ZWNOBZJWSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CCC(=O)C1(CC2CC2)CCC1	2300682655	AWQQSPRSAXQIMQ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CCC1(CNC2CCC2)CCC1	2300699089	DRRCPYDORAPJLK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCNCC1(CCC(CC)CC)CC(C)(C)C1	2300706872	VKWBOFYCJBJPLD-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(C)=CCC(=O)C(C1CCC1)C1CCC1	2300924281	RCWKVXSEKGQKSE-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)C1CCCCCCC1	2301840513	OSXWEYIMIMJUBB-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H]([C@@H](C)[C@H](C)C(C)C)C(C)(C)C(C)C	2301865933	BSGSBJUVGRWVHY-QLFBSQMISA-N	241.463	4.575	0	10	BJAE	
CC[C@@H]1CC[C@H](c2nc(CCC3CC3)cs2)C1	2302271673	XLFSUTIEHROSDC-YPMHNXCESA-N	249.423	4.779	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@H]2CCCC[C@@H]2N)CC1	2302511944	AMFWHZWOSVBRET-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2CCC(C)(C)C2)CCC1	2302742057	KENLRTVABQUNNP-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)CN(C)C[C@@H]1CCC(C)(C)C1	2302745395	KUBPEEOCBVKWHZ-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](O)C[C@@H](CC)C(C)(C)C	2303568108	OEJJQRLEAUCJMM-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)C(=O)[C@H](CC1CC1)C1CC1	2303857836	ILLFHJRHXMBZIT-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
C1=CC[C@@H](c2nc([C@@H]3CC34CCC4)cs2)CC1	2304496826	HWINCFVPPOSQSE-NEPJUHHUSA-N	245.391	4.624	0	10	BJAE	
C[C@H]1C[C@@H]1c1csc(C2CCC(C)(C)CC2)n1	2307686698	FTKXQVFSGFMBIS-JQWIXIFHSA-N	249.423	4.950	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1CCCC12CCC2	2307756101	KRHPFOBFNJVLLW-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC(C)(C)C1CC1)NC	2307894349	RDOFOXGHCFQFGM-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CN(C)CC1CC(C)(CC)C1	2307900093	TZAPYNQKDSFBGJ-QQFBHYJXSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@H](C)CC[C@H]1NC	2307902123	JWAPFLXCNDSOBL-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CN(CC)c1ccccc1C	2307906474	FOSUERPSDBZJTM-OAHLLOKOSA-N	233.399	4.648	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2310189782	KRRGCYDWQQOCPT-NBPOQDFNSA-N	248.410	4.908	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CC[C@]12CCC[C@H]1C2	2310378758	JKPOXKKABIFPGE-MPTYRVRUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C[C@@]12CCCC[C@@H]1C2	2311146324	PMEIVPPNXAKYQE-YLFCFFPRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CCC)C1(C)CC=CC1	2311563218	HRHPKURHAJUABA-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2	2313179682	PQSZXNUTYXEFJT-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)[C@@]23CCCC[C@@H]2CC3)CC[C@H]1C	2313305627	XYGKQJAIMHDUHY-RUCLQGLUSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@](C)(O)c1cc(C)ccc1C	2316235614	MDWDBFXTDWRSNM-KRWDZBQOSA-N	248.410	4.727	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2316534718	CIQWTHMKDJMMES-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
O=C1CCCCC[C@@H]1C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316883716	IZCXUEILIUCZHQ-JONQDZQNSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C)CCC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317147599	DUNICDJGVXCSLA-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(C)Oc1ccc(N[C@@H](C)[C@H](C)C(C)C)cc1	2317820179	MQWULHLHEUFPNV-KGLIPLIRSA-N	249.398	4.566	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)CCCC1=CCCCC1	2318538893	NLBVIFHLQPEGCP-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)C[C@@H]1CC=CCC1	2318937063	VMJCIIUBLBHDIE-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)c2cccc(F)c2)C1	2319107572	DDKMPZNDPUVQGL-GFCCVEGCSA-N	248.341	4.615	0	10	BJAE	
Cc1cccc([C@@H](O)CC[C@H]2CCC(C)(C)C2)c1	2319325974	KOEHGIQHBCBRHE-HOCLYGCPSA-N	246.394	4.635	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CCC1=CCCCC1	2320155521	YPNXVPYUWBXKNN-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@](N)([C@@H]2CCC3(CCCC3)C2)CC1	2320264728	ARMREIKFEBDKLG-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CNC[C@]1(C[C@@H]2CC[C@@H](C)C2)CCC(C)=C(C)C1	2320268187	NIIQGSNSVVHXJR-KBRIMQKVSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2(CC3CC3)CC2)CC1	2320389164	XVDKZVKXSZHWDN-HNNXBMFYSA-N	246.394	4.662	0	10	BJAE	
C/C=C/CCC[C@H](NC)c1cccc(C(C)C)c1	2320515829	HFGMTRJYHRABFZ-RTRPANQVSA-N	245.410	4.817	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc(C)cc1C	21029703	VXDCWZGLGLJWBR-DOMZBBRYSA-N	233.399	4.930	0	10	BJAE	
CCCCCN[C@@H](C)c1ccc(C(C)(C)C)cc1	21508755	BYPHDAUCCRRAOI-AWEZNQCLSA-N	247.426	4.825	0	10	BJAE	
Cc1cc(C)c([C@H](C)NC2CCCCC2)c(C)c1	21801856	BHBGKLVDJIQUBX-HNNXBMFYSA-N	245.410	4.595	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)c1ccc(C)s1	35573173	HQEDUTAORCRFKG-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@@H]2CC=CCC2)cc1	36953292	NLFCBVNBUXCVIF-HUUCEWRRSA-N	243.394	4.968	0	10	BJAE	
CC[C@H](C)CN[C@H](C)c1ccc(C(C)C)cc1	37044391	YAXVAELRWNCTKV-UONOGXRCSA-N	233.399	4.507	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@@H](C)CC)c1ccccc1	37062380	JQYGMMBIJJNTSC-LZWOXQAQSA-N	233.399	4.552	0	10	BJAE	
CC(C)(Cl)Cc1ccc(Cl)c(Cl)c1	49649441	KHKNVBHJMKFBHT-UHFFFAOYSA-N	237.557	4.553	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(C)c(F)c2)C1	71105872	BPXBIYYQDPPEOT-CHWSQXEVSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(C)cc2F)C1	71107598	IFAXTSVDSTYQSQ-OLZOCXBDSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CSC(C)(C)C	83490115	HYXZPWOQLQTDQA-GFCCVEGCSA-N	244.444	4.694	0	10	BJAE	
CCC1CCC(N[C@@H]2CCC[C@@H](C)CC2)CC1	86889264	LYLZMFOTWAOZHB-YHNBSYBMSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C	87163533	UVDIFFZYVVMZIG-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)[C@@H]1C[C@H]2C=C[C@H]1C2	102899150	KRWNTAPAEYSNFI-QEOTZNIISA-N	249.442	4.536	0	10	BJAE	
CCCCCNc1ccc(C(C)C)c(C)c1	107731576	IJEDHMVCBVHHOO-UHFFFAOYSA-N	219.372	4.721	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CC)c1ccccc1	109656243	QEXWYWYWBQHKAB-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)C[C@H](C)CC(C)(C)C)c1	109786051	SSVROXUGSZJQFU-BBRMVZONSA-N	248.410	4.799	0	10	BJAE	
CCCOc1cc(C)ccc1NCC(CC)CC	109909988	PGYGBMUBHGNDAZ-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
Clc1ccc2c(Cl)cc(Cl)cc2c1	111354932	CJRUXWSXMDPLDQ-UHFFFAOYSA-N	231.509	4.800	0	10	BJAE	
CCCc1cccc([C@H](NCC)[C@@H](C)C(C)C)c1	131700230	WHYRXENVLDAODN-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
C(Sc1ccccc1)=C1CCCCC1	140273474	ZSKVEDARPITZPR-UHFFFAOYSA-N	204.338	4.627	0	10	BJAE	
CCC(CC)CC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	149423625	AEIWDCLGPQCUIQ-TZMCWYRMSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc([C@H](O)CC2CCCCCC2)cc1C	162130641	YUWZZAFMLURMDQ-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H](C)C(C)(C)C	162688981	NKECVCZCMYVRFZ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C)cc1C	164026834	XJJAGKJZJWMSQK-UXLLHSPISA-N	245.410	4.533	0	10	BJAE	
CCCCCC[C@H](O)c1cccc(CC(C)C)c1	165362892	VVQJOGWMMOBXJQ-KRWDZBQOSA-N	248.410	4.889	0	10	BJAE	
CCC[C@@H](C)CC(=O)C[C@H](C)CC(C)(C)C	168027128	FXDCIOKVXFYEDE-OLZOCXBDSA-N	226.404	4.844	0	10	BJAE	
CCCCC[C@@H](C)Nc1nccc2ccccc12	168663930	HETBXWYBOMRMIH-CYBMUJFWSA-N	242.366	4.616	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C[C@@H](C)C(C)(C)C)cc1C	168670083	UMSSYDGPKMFCGC-ZBFHGGJFSA-N	247.426	4.684	0	10	BJAE	
CCCCCCc1ccc(OCCC)cc1	196871825	CXJVWRGQFMGQEY-UHFFFAOYSA-N	220.356	4.598	0	10	BJAE	
Cc1cccc(SNc2ccc(Cl)cc2)c1	206724635	QRYRGYPTDMLJSS-UHFFFAOYSA-N	249.766	4.768	0	10	BJAE	
CC(C)=CCCCCCOCc1ccccc1	219827720	VFTBNHCEHVTZQV-UHFFFAOYSA-N	232.367	4.730	0	10	BJAE	
CC[C@@H]1[C@H](N)[C@@H]2CCCCCCCCCC[C@@H]12	225168658	JOAIQQWJTAGQJG-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(N)CCC[C@@H](CC)C2)C1	226988732	JUNWXNJOSJIBMT-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)C1CCC(C(C)(C)C)CC1	233281257	KPJHQUKMZVYEKN-XSCHDIRWSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C)[C@@H](CC1CCCCCC1)NCC	233285620	KUPQTHISUMSIKQ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2cc(C)cc(F)c2)C1	235400467	VVFBHPJVRYNFRI-SMDDNHRTSA-N	247.357	4.538	0	10	BJAE	
C[C@H](C[C@@H](O)C1=CCCCCCC1)C(C)(C)C	235461704	VMLITZKXYCSVEW-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CCCC(C)(C)C	300838355	JKTUXRGUCOPVKX-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@@H](CCCC(C)(C)C)NC	300887071	PGNUJVFZHKHUGK-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1ccc(Cl)s1	300940979	ORMHBJZTFFVGDJ-NXEZZACHSA-N	246.803	4.507	0	10	BJAE	
CCN[C@H]1CCC[C@@H](CCC2CCCCC2)C1	302286254	VYCWJUNWHCPQRL-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H](CCCC(C)(C)C)CNC(C)(C)C	302329337	SAZFPFIBTNTPPC-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCC1CCC(n2ccc3cc(F)ccc32)CC1	304992003	ZSUIAQJDSDDMHI-UHFFFAOYSA-N	245.341	4.922	0	10	BJAE	
CC(C)[C@](C)(CCCC(C)(C)C)CNC1CC1	305922415	MLWDPESQLMSBCR-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(-c2csc(C3CC3)n2)cc1	306070730	WFQXCOYZRLHXFU-UHFFFAOYSA-N	243.375	4.640	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@@H](C)CC(C)C	309988835	FCNXKDFFKOGIOE-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CSc1ccc(N)cc1)C1CCCCC1	310456445	DANADEFZKYCRRN-LBPRGKRZSA-N	249.423	4.577	0	10	BJAE	
Cc1ccc(OC[C@H]2CCC[C@H](C)C2)cc1C	310547885	VNXPCEBQNGLYDJ-WFASDCNBSA-N	232.367	4.509	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2CCCC23CCCCC3)C1	313017098	PIDXUMITJABNSL-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@](O)(C1CCC1)C1CCC(CC)CC1	322365937	IEKGHZBCDPUITE-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](N[C@@H](C)c1cc(C)cc(C)c1)C1CC1	324081992	HUWWFPSOIRFYLI-WMLDXEAASA-N	245.410	4.533	0	10	BJAE	
CC1CCC(CCCC(=O)C(C)(C)C)CC1	381057003	JOSWNONZBAETGW-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(O)cc1-c1ccc2ccccc2c1	383343916	YUMMHAMNRZTKEV-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(N)CCCCCCC2)C1	383956466	WZILXKSJSVNOIS-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CCC1=CCCCC1	386254260	JOBAJPOFFBRPKA-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC(C)(C)CC(C)C	391159566	AXSRINQQJDIKCJ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CSc1ccccc1NC[C@@H]1CCCC[C@H]1C	394877518	GBOCZLLGQGFZAA-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CC(C)C[C@H](NC1CC(C)(C)C1)c1ccccc1	395209940	LRYPORRPNWDDQW-INIZCTEOSA-N	245.410	4.552	0	10	BJAE	
CCOc1cc(Cl)c2sc(CC)cc2c1	396190256	NDGVHLRARSUGHA-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC1CCC1)NCCC	398647942	AIYMETGXSHSLKK-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@H](C)C(C)(C)C	399089319	WEEYUJZMPPYBRS-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CCNc1cc(C(C)(C)C)ccn1	686304184	KQQSJRXLCTYIFL-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
CC(C)(C)c1ccc(OCCCC2CCC2)cc1	688867386	GRKAPHCQKPBIHR-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@H]2CCC[C@@H](C)C2)c1	688937392	HKTBCXWIRRLKDD-FRFSOERESA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C)CC1CCCC1	689810680	VYXKBCOLQHGNPL-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(O)CC1CCCC1	691129002	RVEFKUMNBKZYDE-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@](CNC(C)(C)C)(CC2CC=CC2)C1	692073996	NRKWVSPIAUEALQ-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CSc1ccccc1NC1CCC2(CC1)CC2	696003393	OGOLPRXZYPEERL-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@@H]1C1CC1)C1CCCCC1	696105883	RKQGLJIPMVXDFJ-XKQJLSEDSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCCC[C@H]1C1CC1	696144614	NFLNYXJKDXACKC-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@H]1CCCC2(CC2)C1	696647067	RIQOASDVAPJQAL-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1CCC2(CC1)CC2	697828380	PEMGVIXCWVBTQD-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@@H]1CC1CC=CC1	700807276	HAJIEBZMEAKNFW-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)C2CC(C)(C)C2)cc1	701455146	MMGKQQPMNPEQLO-WBMJQRKESA-N	246.394	4.670	0	10	BJAE	
CC1(C)CCC[C@@H](NCC[C@@H]2CC=CCC2)CC1	706871978	YXJJKGXVNRQNON-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCCCCNCC[C@H]1CC=CCC1	706891327	VHLPLEHVQDYHPF-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
C[C@H](CC1CCC1)NC1CCC2(CCCC2)CC1	710202223	AABDWOQFNGFMAA-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C12CCC(CC1)C2	711166933	LAHKHVDMZCVYDO-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(NCC(C)(C)C(C)C)c(Cl)c1	713133494	YLQWAOOTPCIVHE-UHFFFAOYSA-N	239.790	4.743	0	10	BJAE	
CC(C)(C)C[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1	713192216	ZBHUIIQUNMVABP-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cccc(C(C)(C)C)c1	713215481	AHNJCCQFPUYOAZ-OAHLLOKOSA-N	248.410	4.844	0	10	BJAE	
CCC(C)(C)Cn1ccc2ccc(Cl)cc21	713234431	DQXHAYQDRXEGMX-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC(C)C)CC[C@@H](C)C1	713335173	AVMCVBHSNJKVBN-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)c1ccccc1C	713734703	LIGCVOHZDQQSKK-TUYSUELWSA-N	243.394	4.558	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)[C@@H]1CCC[C@@H](CC)C1	713738286	DISXLCYOGGMZFK-WUOOCDQJSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1CC(C2CC2)C1	714406052	YCECKBDNTWURCK-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
C/C=C/C[C@@H](CC)c1cc(C)cc(C)c1	714559596	DCCDTSXMXREAFS-HZRUHFOJSA-N	202.341	4.763	0	10	BJAE	
CCCN[C@H](c1cc(C)co1)C1CCCCCC1	716115748	QXKUVUZMGSEPER-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)c1ccoc1CC	718635201	UBZIAYPCAJIBTB-HNNXBMFYSA-N	249.398	4.629	0	10	BJAE	
CNC[C@@]1(CCC(C)=C(C)C)CCC[C@H](C)C1	718738309	FKFRHBBRMKWPAT-GOEBONIOSA-N	237.431	4.539	0	10	BJAE	
CCCc1ccccc1[C@@H](NC)C(C)(CC)CC	721698368	CPOMETRRPLPINF-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CCCC2(CC2)C1	723598780	DORFKFVQIWJROX-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1CCCC(C)(C)C1	1664776352	VIQZBAIQHRMEKU-HUUCEWRRSA-N	237.431	4.680	0	10	BJAE	
COc1cccc(C=Cc2cccc(Cl)c2)c1	1857777785	DXHFJXLLHMOLGG-UHFFFAOYSA-N	244.721	4.519	0	10	BJAE	
CCN[C@@H](CCCC(CC)CC)CC(C)C	1900696329	KOLKZNANDSNSRH-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CC[C@@](N)(CC)C[C@@H](C)CC	1900709314	JDHNGDMWUOYHQE-ZFWWWQNUSA-N	227.436	4.747	0	10	BJAE	
Cc1cccc2cc(CCCC(C)C)oc12	1901885439	VRXWRLDPJMGAKZ-UHFFFAOYSA-N	216.324	4.720	0	10	BJAE	
CCCCCC1CC(O)(CCC[C@@H]2C[C@@H]2C)C1	1908568345	ODGFUXVWVDGGAH-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(C[C@@]12CCCC[C@@H]1C2)C(C)(C)C	1909894265	UQWMQMGHQSVQIG-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCC[C@@H](N)C1CCC(CCCC)CC1	1912093430	CFONYTZMFJKSFA-OFLPRAFFSA-N	249.442	4.833	0	10	BJAE	
CC(C)=C(C)CCC1(N)CC2(CCCCC2)C1	1912617225	IRZSJNJXBAJPPA-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CC(F)(F)CC[C@@H]1CCCCCCCC[C@@H]1O	1913405606	UMSTXAANZHVFJI-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC1(C)C[C@H]1CCN[C@@H]1CCC2(CCCCC2)C1	1915884246	QKNFOSNDIJXUCA-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](O)C1CC(C(C)C)C1	1921162928	CERABPWEILFGES-GPANFISMSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@H](C)C1CCCC1	1924099309	RANIXEOFGWKXRV-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C[C@@H]1CC=CCC1	1926158973	DJPSWRPZZGSDQQ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](O)c1cc(Cl)sc1C	1933601407	AORCPRPIPNVCBZ-NSHDSACASA-N	246.803	4.714	0	10	BJAE	
Cc1ccc(O[C@H]2CCCC[C@H]2C)c(Cl)c1	1936612107	DLDQYBDCTUKUFG-YPMHNXCESA-N	238.758	4.606	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CCC[C@H](C)CC1	1939898860	LPJXJEMRXXKCIV-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)CCC1(C)CC1	1940795354	FOKBAVODFVWELM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H](CCC)C(C)C	1941262461	FHAFGGNYHRSWML-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
Cc1cc(Cl)ccc1NCC1CCC=CCC1	1941821951	SCKGJWXQVOQDPH-UHFFFAOYSA-N	249.785	4.807	0	10	BJAE	
CCC[C@@](O)(C1CCCC1)[C@@H](C)CCC(C)C	1942653486	QVGFTHNQLXXEOJ-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCCCCC(=O)[C@]12CCCC[C@@H]1CCC2	1944222312	NWFOEVQCJDJNNE-ZBFHGGJFSA-N	236.399	4.886	0	10	BJAE	
CCC(CC)[C@H](C)NC1CCC2(CCC2)CC1	1944600473	QWSQJJWIYFAWLR-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)C(C)(C)C1CCCCC1	1944611814	YMRBDGMNUORJFV-KCQAQPDRSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C(F)(F)CC1CC1	1945180297	KDVORYKPCOLCEA-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCC1(NCCC2CCCCCC2)CCC1	1945283463	XUJRPYYIBUUOFQ-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cccc2sccc12	1945957525	ICHADIOZTBRYAP-IAQYHMDHSA-N	248.391	4.761	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)c1cccc2sccc12	1945970644	QUWAFNBNWXNJEK-ABAIWWIYSA-N	247.407	4.583	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@H]1CCC	1947465138	UHCORJLYULTMPA-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C[C@H]1CCC[C@H](C)C1	1948325336	GIPSYZYMXZLBHA-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@@H]1CCCC[C@@H]1CC	1948860561	CENAQMTXOTWECL-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(C1CCCC1)[C@H]1CCC(C)(C)C1	1949433781	OUAFSBNCXBROCJ-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CCC1(CO)CCCCC1)CC(C)(C)C	1950370932	GTGHHGIKBRUNDT-CQSZACIVSA-N	240.431	4.782	0	10	BJAE	
Cc1cc(C2=CCCCC2)sc1CNC(C)C	1950822980	RMVAHWZFCNSKQX-UHFFFAOYSA-N	249.423	4.512	0	10	BJAE	
Cc1ccc(N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)cc1F	1968319842	DAABYKLISPDSSA-MZXFEWSRSA-N	249.373	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CCC2(CCC2)C1	1968342308	WZBFDFJKHABZNI-ZDUSSCGKSA-N	249.785	4.783	0	10	BJAE	
Cc1cc(C)cc(N(C)CC2(C)CCCCC2)c1	1968935743	CNJUPTKAFCQKBW-UHFFFAOYSA-N	245.410	4.710	0	10	BJAE	
CCC1CCC(CNc2c(C)cccc2F)CC1	1969468464	OSDVSYDQTPVZKM-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
F[C@H]1CC[C@H](CNc2ccccc2C2CCC2)C1	1973428589	GMOVFIZADJBLJR-JSGCOSHPSA-N	247.357	4.504	0	10	BJAE	
c1ccn([C@H]2CCCC3(CCCCC3)C2)c1	1976032695	ZFKRGSMZHVCMET-AWEZNQCLSA-N	217.356	4.554	0	10	BJAE	
CC(C)CCCC(=O)C1(C)CCCCCC1	1978450184	LOLULCJQWLANGU-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCCC(=O)CCC(C(C)C)C(C)C	1988297230	GDWIASSZEPIWAN-UHFFFAOYSA-N	226.404	4.844	0	10	BJAE	
C1=C[C@H](CC2CC(c3ccccc3)C2)CC1	1989245086	TVCHRUACQMPEJQ-HLIUYOAVSA-N	212.336	4.537	0	10	BJAE	
CCC[C@H]1CCCCN(C2CCCCCC2)C1	1995729629	SBFOWUVOHKESAM-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@@H](C)C1)CC(C)(C)CC	1996273082	YADFXJUFTDMQSG-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)[C@H]1CCCC(C)(C)C1	2000108154	XAILGMLKVGYJJG-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCCNC[C@](C)(CC)[C@H]1CCCC(C)(C)C1	2000160503	FPRWIRJRZRJNCE-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CCCC1CC1)CCCC1(C)CC1	2000377073	SNESNMDJSBATSU-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CN)CCCC(C)(C)C1	2002985890	RWHWLHQSBWCLQA-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)NC2CCCCCC2)C1	2003013752	JIZLYTXJJZNZAO-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H]1CCCCCCCC1=O	2003073863	DXANGUAOXCYNDI-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CCC1CC(CNC2CCCCCCCC2)C1	2003097303	FLJBWLROCRHXMV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)C1(O)CCCCCCCC1	2003111722	OBOBWKFIHGADAA-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@@H]1CC1CCCC1	2003116403	INURSHPACMILLL-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@@H]1CCCC(C)(C)C1	2004229032	FGFZCRJAWWZJJE-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)C1CCCCCCC1	2004235538	ZULOJXRBEMGRRQ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC=C(C)[C@H](NCC)c1ccc2sccc2c1	2007861989	OEIZCXTWLKFUBQ-HNNXBMFYSA-N	245.391	4.518	0	10	BJAE	
CCC[C@@]1(CC2CCCCCCC2)CCCN1	2009065109	WEMPBRGYLZNUQQ-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
C/C=C/CCCNc1ccc(CCCC)cc1	2009587101	CMHOXQHJIGDQAN-HWKANZROSA-N	231.383	4.797	0	10	BJAE	
CC=CCCC[C@H](O)c1cccc2ccsc12	2009591545	JUICMBJAXUFGRK-AWEZNQCLSA-N	246.375	4.681	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@H](C)C[C@@H]1NCCC	2009626158	DGVFPTPUHOZOFZ-VTTDZUNHSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@](CC)(CCC(C)(C)C)C(C)C	2012415862	FWHNSKZWDSFBRK-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC1CC(C(C)C)C1	2013271425	SDGIXBSWHNDJPL-GPANFISMSA-N	239.447	4.602	0	10	BJAE	
CCCCC1CC(N[C@H](CC)CCC(C)C)C1	2013274742	TYSASBDSLVPPTN-HWOWSKLDSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC(C)C)CCC1(C)C	2014849797	QIIPOFHPBZZOCM-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(O)(CCC(C(C)C)C(C)C)CC1	2015336411	QFFWQQDLUWEVBE-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@H]1CCCC[C@H](O)C1)C(C)C	2015361158	QBQGFTNGZJNGGS-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CCC1(CC)CC(N)(CC(C(C)C)C(C)C)C1	2015407977	FUKWSPMWOWITFX-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](NCC)C1(CC2CCC2)CC1	2015797634	XGSDVGAHGZFVEO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](C(C)=C(C)C)c1cccc2ccsc12	2017476720	AEADJAMHMACDAC-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
CCC[C@H](C)[C@@H](CC1CCC(CC)CC1)NC	2017724893	ZUPUXMHKKWLFHD-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](CN)CC(C)C)CC1	2017728879	QBNROBUYOZYQIY-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
CCCC1CCC(CC(=O)C2CC(C)C2)CC1	2017774103	KGXXLCZPQLSBES-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CC(=O)C[C@H](CC)C(C)(C)C)CC1	2018940280	LRUPOPNTKLJJPF-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCCNC[C@@](C)(CCC)[C@H]1C=CCCCC1	2019506059	RVUWVOFDHUDVEN-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC=CCCC[C@H]1CCCC(C)(C)[C@@H]1NCC	2020364503	RABSEFRNDBEEDW-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC(F)=C2CCC2)C1	2023187179	OSANOKRIALAYSN-YPMHNXCESA-N	238.346	4.570	0	10	BJAE	
CCN[C@H]1CC(C)(C)C[C@@H]1CCCC(C)(C)C	2023609210	FDXDAMAWIZZYSR-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCc1ccc2c(c1)CCC2(C)C	2023651362	RWYKRMWOIOGCBL-UHFFFAOYSA-N	228.379	4.809	0	10	BJAE	
C[C@H]1CCC[C@H](CC2CCC(C)(C)CC2)C1=O	2023994150	QMGAARLESYVUSO-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCC[C@H](N)C2)C1	2024091441	IOZVJLRTWSQVJM-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)C[C@H]1CCCC(C)(C)C1	2024101663	MFQRNEHNANHVRZ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@@H]1CC2CCC1CC2	2027842063	FIILTCKXQVYVQT-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1C)[C@H](CC)C(C)C	2028253604	YIUPOXQXYYQZDI-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)C(C)(C)C1CCC1	2035577187	WXPZBOOLYSKYHM-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCC1)CC(C)(C)C1CC1	2035589424	GZQZCGQMAICZHV-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)C[C@H](C)c1ccccc1	2037210205	UFBDAPVMFDHQDI-YQQAZPJKSA-N	247.426	4.580	0	10	BJAE	
CC1(C)CCC[C@H](CNC[C@@H]2C=CCCC2)CC1	2039380029	FEFCVHAHWPSJFQ-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc(C(=O)C2(CC)CCC2)cc1CC	2039735821	XAAVZWNVHJNSBN-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]1C1CCCC1)C1(C)CCCCC1	2039864318	ZBKPNCPSPFCQEI-CWRNSKLLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](N)(C1=CCCCC1)C1CCC(C)(C)CC1	2040647843	PPPOWCRZZRODFW-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
N[C@@]1(CC2CCCC2)CCCC2(CCCCC2)C1	2040763415	PMMIQGZSGYUWCC-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC1(C)CC[C@@H](CN[C@@H]2CCCC3(CCC3)C2)C1	2041292983	LPNZQYBKQDUVJO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)c2cccc(C)c2)CC1	2041383770	PWEBARIOUHMCBD-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
CC1(C)CC(NC[C@]2(C)C=CCCC2)CC1(C)C	2042332572	IQPPQSIIIMAJDR-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@H]1CCC12CCCCC2)C1CC(C)(C)C1	2043543034	HBRAUAIJBPRWPD-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(C[C@H]2CCC=CCCC2)C1	2045316451	DREOVUOSUOCNQP-IXDOHACOSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CCC[C@H](n2ccc3c(F)cccc32)C1	2045454258	HJEOAMQYWZCDNX-LBPRGKRZSA-N	245.341	4.922	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC[C@H]3C[C@@H]3C2)CCCCCC1	2045595013	AHFYXUICXCAFJP-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)C[C@@H]1CC12CCCCC2	2047059199	OFDXAZSUYLFPFB-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCCc1cccc([C@H](O)CC2(C)CCCC2)c1	2049796078	WHQBXEGUFHRHJI-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CC1(CCNCC2CCC3(CC2)CC3)CCCC1	2049867149	SORLXMHIFSOKPA-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(CC(=O)C[C@H]2CCCC3(CC3)C2)CCCC1	2049934292	VVDGTCZVHYZWQE-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@]1(C)C=CCCC1	2050006443	NDQDMYXJNQRFQA-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CN(C1CCCCCC1)C1CCC2(CCC2)CC1	2051644996	INWLQEZGNQLMPS-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
C[C@@H](NCC1(C2CCCCC2)CC1)C1(C)CCC1	2052344309	HHUYJXUJNJSLMO-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H](C1CCCCC1)C1CC1)C1(C)CCC1	2052354051	TVPWLSNKFFAJBI-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC([C@H](N)C=C2CCCC2)CC(C)(C)C1	2056883246	NMZVQTMIAYSVOA-OAHLLOKOSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C[C@H](C)C2CC2)cc1	2057357466	KZMUNQVUDFROBQ-OLZOCXBDSA-N	244.378	4.819	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1CCC[C@@H]2C[C@@H]12	2057361162	NZMYYTPTPXNZDP-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H]1CC1(C)C)C1=CCC(C)(C)CC1	2061143966	NUEWIJUXJDLBOF-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC1CC(=C2CCC2)C1	2061722558	KXDDLBWOZNQUBQ-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CC(C(=O)C2CC(=C3CCC3)C2)C[C@H](C)C1	2061730725	LKBDYLTXUYQNGE-VXGBXAGGSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1C[C@H]1CCCN[C@H]1CCC2(CCCCC2)C1	2062608143	LTFSTTTZHMRZHZ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063498211	XMWGZNBBVXUIBN-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](N)[C@@H](CC23CCC(CC2)CC3)CC1	2065333799	WUQQUFISAMJQCZ-TXOGFHGLSA-N	249.442	4.501	0	10	BJAE	
CC[C@](O)(CCC(C)C)c1ccc(C2CC2)cc1	2065994760	GYCYDOGPHLZLSG-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)c1cccc(C2CCC2)c1	2068234665	YDQGQBWFOXVCOI-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
C[C@H](Nc1ccc(C2CC2)cc1)[C@@H]1CCC1(C)C	2068288083	QDXIGOYVFLOTBQ-LRDDRELGSA-N	243.394	4.801	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H]2CCC2(C)C)cc1	2068290921	MIRRCQUVVCAJBM-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC1C[C@@H]2CC[C@H]2C1	2068767580	HZBAQINBFVGOJP-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CC[C@H]3C[C@@H]2C3)cc1	2069220813	NNYIGRUJHLRUHE-LBEHMCEESA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](C[C@@]12CCC[C@@H]1C2)C1(C)CCCC1	2070960485	WVHZNIQAGJOPGV-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CC[C@H]3C[C@H]23)CCCC1	2071186462	LPFDGXXBMWWSLT-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(N[C@@H]2CC[C@H]2C2CCC2)CC1	2071788562	HNZIBKBCEKMNNS-MHVXSEJMSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CCC1	2071927197	XWIYIAZGCIRZFU-ZSOGYDGISA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(CC2CC3(CCC(N)CC3)C2)CCC1	2071943982	SDXLFUAQDZWPNX-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CC[C@@H]3CCC[C@H]3N2)CCC1	2071949120	IEYYHTRKKOUDQN-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1(C[C@@H]2CC[C@H]3CCCC[C@@H]3N2)CCC1	2071949869	LTRBGYPTTMNCFP-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CC[C@H]2C[C@@H]2C)c1C	2072078941	CAWOMFRXZUXCHK-WFASDCNBSA-N	244.378	4.539	0	10	BJAE	
CCCC1(CN(C)C2CC3(CCCCC3)C2)CC1	2074589786	POAGIMDKMUIJDK-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@H](CC)N(C)Cc1cc(C)ccc1C	2074924290	AZJLNEYOJVQTSP-KRWDZBQOSA-N	247.426	4.704	0	10	BJAE	
CCCCc1ccc([C@@H]2CCCCC(=O)C2)cc1	2077923960	OOGBAGTZRPOQAR-MRXNPFEDSA-N	244.378	4.646	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](CCC1=CCCCC1)NCC	2079441167	DVRKBFFBOWQLAJ-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCCNCC(C)=C[C@H]1C[C@H]1C1CCCCCC1	2079664256	DQWWBQRLCOZKKI-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
N[C@H](CCCC1CC1)C[C@H]1C[C@H]1C1CCCCC1	2079668423	AFQVHFAMVVIUBJ-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCC1	2079861738	GAHAGMQEZSGOBI-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(C)CC(CN)(CC=C2CCC2)C1	2081676435	QFTJPOZERGQVMF-UHFFFAOYSA-N	249.442	4.668	0	10	BJAE	
CC(C)CNC[C@@]1(CC=C2CCC2)CC[C@H](C)C1	2081681712	DQBFBHCTFAJMSO-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
C[C@H](C=C1CCCNC12CCCC2)CC(C)(C)C	2083810834	PPNFOACGOWPEHZ-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
C1=CCC(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2212390177	YYHOCQGCVDBFGH-JYJNAYRXSA-N	218.384	4.949	0	10	BJAE	
CC(C)CC(O)(CCCCC1CC1)CC(C)C	2214561843	BCPUAOIVKXGSKO-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CCCCC1CC1	2214586484	WKAHYUXSORTFRL-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC=CCCC[C@]1(N)CCC[C@H](C(C)(C)C)C1	2216247284	KXHJZAONOGOXDE-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](NCC)[C@H](C)CC)CC1	2216285490	MFGCRZNJZYRLME-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C1(CN[C@H](C)CC)CC(C)(C)C1	2217124991	LSQPJMCZKJZLJE-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@]1(CNC2CCC2)CCC1(C)C	2217159175	KXUSNIVDHQSDMN-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
N[C@H]1CCCC[C@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218365190	KZBXZQVWPRRRMS-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
C(CCN[C@H]1CCC[C@H](C2CC2)C1)CCC1CC1	2218749407	IYDHZFWZSLGZQP-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(NC2CCC(C3CC3)CC2)cc1	2218895351	UHLKHDVMMGQPIC-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
C[C@H](CNC1(C)CC2(CCC2)C1)C1CCCCC1	2220974417	JIQOFKBXULEWIS-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(N[C@H]2CCC3(CCCC3)C2)CC1	2221601639	OEZRFRIKIDGIIX-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CCCCc1ccc([C@H](O)CCC(C)C)s1	2242605134	QEHAVBDGUHWLDZ-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H]1CCC12CCC2	2247302010	APTDPMSWBFJOMV-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCCC1CCC(O)(C[C@H]2CCC2(C)C)CC1	2247346545	KBTYPKSOKSGIOW-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
Cc1sc(C)c(-c2ccc(N)c(C)c2C)c1C	2248279877	UFEGOZYEIOPYAM-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCC[C@H](CC)CNc1c(F)cccc1CC	2250389542	KCCPIDTWBSWODC-LBPRGKRZSA-N	237.362	4.626	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)c1ccoc1	2250468508	DVGZABBPFXIVNA-ZFWWWQNUSA-N	237.387	4.522	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@]12CCCC[C@@H]1CC2	2251217198	FWMJRYDYPJDVNV-OWCLPIDISA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)CC(=O)CC1CC(CC(C)(C)C)C1	2251582769	OWNWQYXGCFWZQE-IYXRBSQSSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C1(CC2CCC2)CC1	2254603638	CPKPYQFWZZZIGT-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc2ccn(C[C@@H]3CCC34CCC4)c2c1	2254980270	SGNJIXYUSIRVNW-HNNXBMFYSA-N	239.362	4.530	0	10	BJAE	
CC(C)(NCC[C@@H]1CCCC12CC2)C1CCCC1	2255323611	PUBYWLBITWOARL-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@H](C)C1CCCC1)C2	2259568990	SJBVZYQWCOECPY-OFNHWJQESA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@]12CCC[C@@H]1CC2	2260500285	JNMMVBVMDMSBHW-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@]12CCC[C@@H]1CC2	2260500287	JNMMVBVMDMSBHW-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@]23CCC[C@@H]2CC3)CC1	2260669544	IFRIZDOURRXJJJ-WCXIOVBPSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@]23CCC[C@H]2CC3)CC1	2260669545	IFRIZDOURRXJJJ-YYIAUSFCSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H](O)C1(C)CCCCCC1	2298908735	RWQMQXWWGAVSQC-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)C1(CC)CC1	2300684578	WCSYQDRWTGNZTA-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H]1CCC[C@@H](CC)C1	2300876573	HWHRODHRNPGMEL-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@@H](N)[C@H]1CC1(C)C)CCCC(C)C	2300880926	PNXUXKSOSKSFIF-HUUCEWRRSA-N	237.431	4.523	0	10	BJAE	
CCC(C)=CC[C@]1(O)C[C@H](C)CC[C@H]1C(C)C	2300882458	VMWRPOYONKRCTN-PMPSAXMXSA-N	238.415	4.556	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@@H]1CC=C(C)CC	2300902055	QBLORUHKCKHNTL-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301066857	UAYRVNHZEYDPAM-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1CCCCCC1	2301237962	BJLPEEXLCMHIOM-OAHLLOKOSA-N	238.415	4.988	0	10	BJAE	
C[C@H]([C@@H](N)CCCC1=CCCCC1)C(C)(C)C	2302348655	FRGGVESTTZRYMP-HIFRSBDPSA-N	237.431	4.667	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCCC[C@H]2C[C@H]21	2302994629	UMHKFRRICICGQE-OUCADQQQSA-N	249.785	4.639	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H]1CCCCCCC[C@@H]1O	2303569495	SJULVXBNPUQVOI-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1CCC(C)=C(C)C1	2303600268	GGSCPBWHTCVXGJ-HIFRSBDPSA-N	236.399	4.908	0	10	BJAE	
CCC[C@@H](CC[C@@H]1CCC(C)(C)C1)CNCC	2304429769	ZVUUZRHIGFGKIO-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)CN(CC)CC[C@H]1CCC(C)(C)C1	2304439115	GVRGTPJBQLBVON-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@](C)(F)C(C)(C)F	2307668960	YNVWRXWMYSIYGH-CQSZACIVSA-N	248.357	4.638	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(CC2CC2)CCC1	2307763035	IBTJABLNAVGGDH-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@H]1CCCC1(C)C	2307902936	NCKISWNXAKKKMO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@](O)(C1=CCCCCC1)C2	2308396954	HNSLZCQHXWVRHL-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H]1c2ccccc2NC[C@@H]1C	2310426492	DJAQSZMYGHJTEJ-LXTVHRRPSA-N	243.394	4.658	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2313322413	HHMYONVRBMZRSN-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CCc1cc([C@@H](NC)C(C)(C)C(C)C)ccc1C	2314696014	ZRQYDJLSETXRML-MRXNPFEDSA-N	247.426	4.500	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1ccc(C)c(CC)c1	2314712533	PNASHMSKPISSET-WMLDXEAASA-N	248.410	4.807	0	10	BJAE	
CC(=CCN[C@H]1C[C@@H]1C1CCC1)CCCC(C)C	2316488423	CAOZBJWIFLPRBC-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CCC[C@H]1CC2)[C@@H]1CC=CCC1	2316874502	RTLSPKHYBPHJNJ-CAOSSQGBSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1C[C@H]2CCC[C@H]1CC2	2316946029	PEADJAPURIACMR-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
CC(C)Oc1ccccc1N[C@H](C)[C@H](C)C(C)C	2317940188	IOYKLKAYAOMHEY-ZIAGYGMSSA-N	249.398	4.566	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H]1CC(C)(C)[C@@H]1C	2318232796	GORICFOPFQGNFQ-KCXAZCMYSA-N	246.394	4.526	0	10	BJAE	
C[C@@H]1[C@@H](C(=O)C2(C)CCC3(CC3)CC2)CC1(C)C	2318241155	OEVADOOBXCJXBA-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CC12CCCCC2	2318570091	VLPKSSUILSCDLH-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
OC[C@@]1(CCCC2=CCCCC2)CCCC12CC2	2318570962	ZNTZTGJGCXZXLS-QGZVFWFLSA-N	248.410	4.600	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)CCCC1=CCCCC1	2318581101	SIOYGHCMWVLWEL-OEAJRASXSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)[C@@H]1CCCN1CCCC1=CCCCC1	2318590073	XCUVCFSUQZFTJT-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CN[C@H](CCCCC1CC1)C1=CCC(C)(C)CC1	2318875204	LGCRGADJRNSKBV-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(O)CCCC23CCC3)CC1	2320339372	DFLDFNBXNSUOKT-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2C(C)(C)C2(C)C)CC1	2320408974	PMGIMGTWPPUPDM-CYBMUJFWSA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H](C2CC2)C(C)(C)C)CC1	2320414239	REFYVMOVZHPRCY-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@H]2CCC(C)=C(C)C2)C1	2320415827	DSTYXDWDHRZAKX-PMPSAXMXSA-N	248.410	4.908	0	10	BJAE	
CC[C@@](N)(Cc1cccc(C(C)C)c1)C(C)(C)C	2320633037	GDQAEILRMAPSNL-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
CCCC1CCC(C=C2CN[C@@H](C(C)C)C2)CC1	2321518311	NLOJSSTWTDNSMN-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)C2CC3(CCC3)C2)C1	2321638088	YGTHORYAZBTMQN-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CC(=O)C[C@H](C)C2)c1	2327780522	CLARNPFBYQCPCL-KGLIPLIRSA-N	244.378	4.591	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cc(C(C)C)ccn1	2328101538	JTXKLCVSOCJUGV-ZDUSSCGKSA-N	247.382	4.604	0	10	BJAE	
c1ccc2c(NCC3CCCCC3)cccc2c1	20020527	GEWZXOOJFMNUAI-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1c(F)cccc1F	20476080	PFNAZBSJSCPYBA-WDEREUQCSA-N	241.325	4.592	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1ccc(CC(C)C)cc1	35459584	GNAFNGTWZVKBFM-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CCC(CC)[C@@H](NC)c1ccc(C(C)(C)C)cc1	35493800	UWAIGZMOGUEYTG-MRXNPFEDSA-N	247.426	4.681	0	10	BJAE	
CCCCC[C@H](N)c1cc(C)c(Cl)cc1C	70023581	OAORKUBZLWAYPV-AWEZNQCLSA-N	239.790	4.537	0	10	BJAE	
CCCCCC[C@H](O)C1CCC(C)(C)CC1	83778632	NPCKPVKVDJAJEW-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@H](NCC)c1cscc1C	87288755	NJBPPMYYZTVSPU-AWEZNQCLSA-N	239.428	4.678	0	10	BJAE	
CCCCCC[C@H](NC)C1CCC(C)(C)CC1	87942522	FRAKTQBSKWRPAN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCCC(=O)C1CCC(C(C)(C)C)CC1	87975870	GTVHMMVACNEWCD-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)CC[C@@H]1C[C@H](C(C)(C)C)CCC1=O	103937267	UEMIMDMAZKOTPA-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2ccccc2)c2ccccc21	136951445	RVXGISHRUPBKLF-SUMWQHHRSA-N	237.346	4.737	0	10	BJAE	
Cc1ccc2ccccc2c1[C@H](N)CC(C)(C)C	160842291	DLEQTAXDVUYWFK-OAHLLOKOSA-N	241.378	4.584	0	10	BJAE	
CCCCCC[C@H](O)c1cccc(CCC)c1	165363134	YNEIVJQWLZQFQW-INIZCTEOSA-N	234.383	4.643	0	10	BJAE	
CCCCC1CCC([C@@H](N)CC2CCC2)CC1	167113686	RYFCABXEXCKHNZ-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](CNC(C)C)C1CCCCCC1	167925079	IRZBPAAKRVQJLU-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C(=O)[C@@H](c1ccccc1)[C@H](C)CC	168652487	RATHLNIDGRPGCT-CZUORRHYSA-N	246.394	4.822	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](CC2CCCCC2)C1	203295369	KEBLRMJIJYBTOC-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)c1ccc(C)cc1C	225399709	ZTFDOTVXWSXUPI-PVAVHDDUSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@@H](CCC)NCCCc1ccccc1	225998582	JTECKZPMJKLLNE-QGZVFWFLSA-N	247.426	4.568	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C(CC)CC	228689499	OJCIVUFUHMHINV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](CC)C[C@@H](C)CC	251662679	BXIUKLRFCDDZFX-GZBFAFLISA-N	227.436	4.616	0	10	BJAE	
CC(C)(C)CC(C)(C)c1ccc(C(C)(C)O)cc1	258342923	JWEYTGCEKINBCM-UHFFFAOYSA-N	248.410	4.628	0	10	BJAE	
CCCN[C@@H]([C@H]1CC[C@H](CC)C1)[C@H](C)CCC	300471608	XGZNDKSXHOAAHO-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](N)[C@H](c1ccccc1)[C@@H](C)CC	300472459	YHZZSCPQQBUDFP-OTRWWLKZSA-N	247.426	4.580	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H](C)c1ccccc1	300472903	TWQIKPHVRATRDY-ZOBUZTSGSA-N	247.426	4.724	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC[C@@H]2C)c1Cl	300935583	WURPJZYIZLKUIS-JQWIXIFHSA-N	237.774	4.639	0	10	BJAE	
CC(C)(C)CCCC1(C(=O)O)CCCCCC1	304148163	NONRYPXRFSWXFH-UHFFFAOYSA-N	240.387	4.628	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)c1cc(C)cc(C)c1	307995376	ADRQJCVVVMDEQZ-WBVHZDCISA-N	248.410	4.799	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)c1csc(C)c1	308066506	XRGYCCLZJJWMCK-OCCSQVGLSA-N	239.428	4.519	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](NCC)c1ccccc1	308080105	NFEVLMUPLFTPCC-DLBZAZTESA-N	247.426	4.800	0	10	BJAE	
CCc1cc(N[C@@H](C)c2cccs2)ccc1C	310069190	YNGCRPOZPPTGIT-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1ccc2sccc2c1	318711541	FXBWUAPWCKYJLW-PGUXBMHVSA-N	248.391	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)c1csc2ccccc12	319750206	YXIMMLXXDADVHC-RWSFTLGLSA-N	247.407	4.583	0	10	BJAE	
CCCN[C@@H](CCCCCCC(C)C)C1CC1	383362911	HENHYDYBVBLNTM-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCCCCC(C)C)CC(C)C	383397737	QSKAUNHBZGVSRR-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CC2CCCCC2)C1	383959039	XDNUZZHCNSWJBJ-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CCC2=CCCCC2)C1	385260256	YHYBQWPRWRIEND-HZPDHXFCSA-N	248.410	4.908	0	10	BJAE	
CCCC[C@@H](CC)CNC/C=C\c1ccccc1	385279908	RSSOEGZMMQKSID-RCBBPTIPSA-N	245.410	4.506	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1C[C@H]1CC(C)C	388023175	OTIUYYUIMJVKRN-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC1(CC)CCC1	390268515	QULIMUYYSJZNAS-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)CCNc1cccc2ccccc12	394390690	CVDKGRWROYYBHQ-CYBMUJFWSA-N	227.351	4.688	0	10	BJAE	
Cc1cc2cc(C(F)(F)F)sc2cc1C	396198013	MQCCGOXIEKIFQS-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCc1sc2ccc(C)cc2c1C(F)F	396217296	IOQPYJPWRBKFRL-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CC[C@@H](Nc1ccc(Cl)cc1)[C@@H]1CC1(C)C	397749125	BOLWTBRHWFIEIY-QWHCGFSZSA-N	237.774	4.577	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)NCCCC2CCC2)c1	689011614	JDKXXJIHPHSBKL-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CCSc1cccc(N[C@H](C)[C@H](C)CC)c1	689701907	YNNCLGODFAWHLG-VXGBXAGGSA-N	237.412	4.645	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2CCCC3(CC3)C2)C[C@H]1C	695914658	CRPFQLDKXYZZRP-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N[C@H]2CCCC[C@@H]2C2CC2)ccc1F	696108170	YPBFZQFBELQIMT-ZBFHGGJFSA-N	247.357	4.515	0	10	BJAE	
CC(C)=CCC[C@H]1CCCc2ccccc2C1=O	697835535	LQCJWBAUWFGPSP-HNNXBMFYSA-N	242.362	4.568	0	10	BJAE	
CC[C@@](N)(CC1CCC(C)(C)CC1)C(C)(C)C	704846927	FKNAIYGAIKPCCN-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(N)CCC1CCCCC1	704932592	ATMFTSFEDKZKHC-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1CCCC12CC2	706297773	BDDWNIJGGFZWMS-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)CC(C)(C)C)C(C)(C)C	709101663	BVWRBRWTUNGLKD-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](C)C1(C[C@@H](C)CC(C)(C)C)CC1	709106033	VGQZHWHLLFFCRT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C1CCCCCC1)[C@@H]1CCCC2(CC2)C1	710139062	HJWVCNJTPOGUBE-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C(=O)[C@@]2(C)CC[C@H](C)C2(C)C)c(C)o1	710750857	DRFDUPQABHRSFE-MGPLVRAMSA-N	248.366	4.542	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](C[C@H](C)C(C)(C)C)C1	710773041	MQHQFFHXBPUGMV-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C[C@H](N)c1ccsc1C)C(C)(C)C	711107375	TVYJBLIVIKARNZ-AAEUAGOBSA-N	239.428	4.519	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1C[C@@H]2CCCC[C@@H]21	712411710	ZCORMPNMEJBPBU-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
C=C/C=C\CCC1(N)CCC(CCCC)CC1	713673232	UQICXVRQRKVZRZ-ALCCZGGFSA-N	235.415	4.587	0	10	BJAE	
CCCCCC[C@H](C)NCCCCC1CC1	716325450	IBPPVWDCLJJSGE-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1CCCC[C@H]1C	718532062	IZAMWZZDUSXZFF-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCCC(C)(F)F)CCC(C)(C)C	718575687	OIJUWBSBNYZHNA-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CCC(C)=C(C)C	718697409	XGMWAFKJTYPEGN-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@]1(CCCC(C)(F)F)CCCCCN1	718721158	FFHORPQGZNLJEO-AWEZNQCLSA-N	247.373	4.514	0	10	BJAE	
CC(C)(C)C[C@@]1(CNC2CC2)CCC=CCCC1	719056676	MPQREDQVLZBNDP-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(CC)[C@H](O)Cc1ccc(C(C)C)cc1	721693759	YNPNHCMUOSKUQA-MRXNPFEDSA-N	248.410	4.540	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C1CCCC1)C1CC1	724015866	XXCQSRDXGYLFDL-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCCC2CC=CC2)CC1	724178502	FBOOCEZBCGTXBE-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(SC(C)(C)C)cc1Cl	1775954525	OSPUVGMOTBAGRS-UHFFFAOYSA-N	214.761	4.539	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1cc(C)c(C)s1	1900695453	DSGXPZDGNFNRKK-CYBMUJFWSA-N	240.412	4.615	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCCC1(C)C	1900695609	FCQXAJHJXOBVSO-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCC[C@H](C)C1	1900713540	PXVQHWGQRXSTPQ-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
CCC(C)=CCc1ccc(CC2CC2)cc1	1900837536	DHNOAKPERBUXPW-UHFFFAOYSA-N	214.352	4.538	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H](C)[C@H](C)C(C)C	1901626283	OTWZOZOLEIDKGS-QLFBSQMISA-N	227.436	4.602	0	10	BJAE	
CCc1cscc1NCC(CC)(CC)CC	1902381591	PGZSKOZRUPCZAN-UHFFFAOYSA-N	239.428	4.939	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@H](C)CCC1=O	1905346544	MWYMOJPKXDNUJE-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@]12CCCC[C@@H]1C2	1909870991	CDFUZSHWZRVMSG-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1ccc2sccc2c1	1910731044	GCKRCEFXJCCSOL-YPMHNXCESA-N	245.391	4.749	0	10	BJAE	
CCC=CCN[C@H]1CCC[C@H](C(C)(C)C)CC1	1911971647	SVFJBGHRLQEEJV-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCc1ccccc1NC1CC2(CCCCC2)C1	1912709912	SRPLMVZEGPKSEN-UHFFFAOYSA-N	243.394	4.774	0	10	BJAE	
CCCNC[C@@]1(C[C@H](C)CCC)C=CCCC1	1916563916	MWRKZACIIHVEHO-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)C[C@@]1(CNC(C)(C)C)C=CCCC1	1916597112	ULOAFIWWSOQIKH-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)[C@@]1(CNC2CC2)CCCC12CCC2	1921609261	CPNZBXNLHXFUKB-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(CC[C@@H]2C=CCCCC2)cc1C	1925833505	KOYUNSMSVFJWAJ-MRXNPFEDSA-N	228.379	4.982	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@@H]2C=CCCCC2)c1	1925916442	FXCNTARFBWMBGH-CYBMUJFWSA-N	249.785	4.807	0	10	BJAE	
CCC(C)(C)CC[C@@H](CC[C@H]1CC1(C)C)NC	1940866084	XXKQRRJFYOFTMD-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)CC[C@@H]1CC1(C)C	1940876955	OCZJNAIUAVTIDJ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@@]1(O)CC(C)(C)CC2(CC2)C1	1943082611	UHQWOSQFDVYBKT-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](Nc1ccc(C2(C)CC2)cc1)C(C)C	1944598236	LCCLUBYVDSUGFI-HNNXBMFYSA-N	231.383	4.585	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CC1(C)C)C1CCCCC1	1944647598	XVWCURCBUGHMCD-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(Nc2ccc([C@@H](C)CC)cc2)C1	1946980238	UKFACMWZPCLCCD-FUJMWEONSA-N	231.383	4.801	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)[C@@H]1CCC[C@H](CC)C1	1947469131	PVVLDGUTHXNOES-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@](C)(CCC)[C@@H]1CCC(C)(C)C1	1949516198	GBRLKXFWBIZYLF-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@H]1CCC2(CC2)C1	1950262516	IOJPVYGBHFMBJM-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(NC2C[C@H]3CCC[C@@H]3C2)cc1Cl	1950294713	KVXPLTRTGFIQFI-VXGBXAGGSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)CCC(=O)CC12CCC(CC1)C2	1950961834	SHSMPAFQFNDTEH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC=C[C@@H](C)Cc1ccc(OC)c(C(C)(C)C)c1	1951308681	LONLBLNSYIKWGU-CYBMUJFWSA-N	246.394	4.747	0	10	BJAE	
CCC=C[C@@H](C)Cc1cc(C)ccc1OCCC	1951308749	MUJTWBRDZPRIEV-CQSZACIVSA-N	246.394	4.929	0	10	BJAE	
CC(C)=CCC(=O)c1scc(Cl)c1Cl	1956822289	SOXVSJSHBLYCBF-UHFFFAOYSA-N	249.162	4.594	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NC1C[C@H]2CCCCC[C@@H]2C1	1967878129	XOZMFPUHLSWQTA-ANQUJSFKSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)CNc1cc(C(C)C)ccc1C	1968598575	ZSTJNSPDWRJBST-LBPRGKRZSA-N	219.372	4.576	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NC[C@H]1CCCC2(CC2)C1	1970249936	NASYPUJAVKHABK-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@H]1NC1CC2(CCCCC2)C1	1972430524	STZYAGDMNWXYBN-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C(C)(C)C1(C)N[C@H]1CCC2(CCCC2)C1	1973297264	HSAYRQPHWGUQLQ-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)CN[C@H]1C[C@H](C)c2ccccc21	1973315673	LBZMOXYNDRVKPP-BBRMVZONSA-N	245.410	4.651	0	10	BJAE	
Cc1cc(N[C@H](C)C2(C)CCCCC2)cs1	1975573026	IHWHVLOMOVUGGA-GFCCVEGCSA-N	237.412	4.827	0	10	BJAE	
Cc1cc(NC2CC(C)(C)C(C)(C)C2)cs1	1976784843	CBZRQMHPIQAHME-UHFFFAOYSA-N	237.412	4.683	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@H]1CCC[C@@H](C)C1	1978451805	PRBXTOSCFDUCJN-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCCCC1CC(N)(CCCC(C)C)C1	1984745791	CNUBXYOVLCMHHZ-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](CC)CCC(C)C	1986971722	VMFWNRSZQKEUBB-HUUCEWRRSA-N	227.436	4.760	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccc(Cl)cc1	1988794014	FBORVZUWIVIMCV-LBPRGKRZSA-N	237.774	4.887	0	10	BJAE	
CCCCCc1ccc([C@@H](O)[C@@H](C)CC)s1	1991772603	RVYNWVHFUWCRRW-FZMZJTMJSA-N	240.412	4.560	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC1CCCC1	1995253527	INBCYJNPMVLQAD-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC=CCCC[C@@H](N)CC[C@@H](C)CCCC	1995264674	WHNOBQFBDVVHIC-LSDHHAIUSA-N	225.420	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](CCCC(C)C)NC	2000255810	OUGCPXSFKDOVBO-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@@H]1C=CCC1	2000520607	MIDYDPCSLFFUBD-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(O)CC1(C)CCC1	2001144964	SKGCLKAEMSXVMJ-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1CC12CCCC2	2001252420	AXNNZZFHAFNQRE-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(N)C1CCC(CC)CC1	2002927645	ZNGMRTMXTSTKOF-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(C)CCC[C@@H](O)c1ccccc1C	2003626647	JWXHCSGAFTVIMK-MRXNPFEDSA-N	232.367	4.555	0	10	BJAE	
CC(C)=CCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2004191607	QGBGEOBIFUEQJN-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)C1(C)CCCCCCC1	2004920383	JODRCGMPHCHZQC-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H]1NCC[C@]12CCCCCC2(C)C	2009768747	JWOZNVZRVLMMPF-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCCCC1CC(N)([C@H](C)CCC(C)C)C1	2009792468	ZPRDUACUUWYACY-QQFBHYJXSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC(C)(C)C)CC(C)(C)C1	2012041110	HZXXVZNCXBCKBN-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CNC(C)(C)C)CCC1(C)C	2014849135	LBAWBTFVLKYLPE-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)c1cccc2sccc12	2014849178	LHHWUAIDCNMFAF-LBPRGKRZSA-N	244.359	4.520	0	10	BJAE	
CSc1ccccc1N[C@H](C)[C@H]1CCC1(C)C	2014903978	RFINJMGVDGWYIX-VXGBXAGGSA-N	249.423	4.645	0	10	BJAE	
Cc1cc([C@@H](N)CCCCCC(C)C)oc1C	2015328469	YXYCMNIQBQRXRD-AWEZNQCLSA-N	237.387	4.503	0	10	BJAE	
CC(C)C(CCNC(C)(C)C(C)(C)C)C(C)C	2015361797	ZBVDSJJVRZHTDJ-UHFFFAOYSA-N	241.463	4.719	0	10	BJAE	
CC[C@@](CNC(C)C)(C[C@H](C)C(C)C)C(C)C	2015400710	QSZUZXQUZJKIIV-HOTGVXAUSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@@H](C[C@@H](C)CC)NCC)CCC1	2015646410	ZQADTUOGEXPFDL-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC1([C@H](N)CC2(C)CCCCC2)CC1	2015760058	FGPKALVNSTTZJS-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1(C[C@@H](N)C2(C)CCCCC2)CCC1	2017145149	HAOXOTAGMWJPII-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@@H]1CCCC(C)(C)CC1	2017473571	VFVURZFPEORCRB-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](C[C@H]2CC[C@H](CC)CC2)N1	2017736649	YODQXTCVJWEOBT-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CC23CCCCC3)sc1C	2017986255	SHTYLCUXVCFEJY-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CC1(c2csc([C@H]3CCCC4(CC4)C3)n2)CC1	2018315840	AEARPGVWYUAQTH-NSHDSACASA-N	247.407	4.632	0	10	BJAE	
CCC1(C[C@]2(O)CCCCC[C@H]2C(C)C)CC1	2018975057	RECOVLUTVFVNRM-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C=CCCCC2)c1	2019496872	YEIOMYLMJOTNAV-OAHLLOKOSA-N	229.367	4.721	0	10	BJAE	
Clc1ccccc1NC[C@H]1C[C@H]1C1CCCC1	2022490964	XLNALHXLNYARIO-OLZOCXBDSA-N	249.785	4.578	0	10	BJAE	
CCCC(CCC)CNCCCCC(C)(F)F	2023362289	DKEFXCSIEPEMEH-UHFFFAOYSA-N	249.389	4.618	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@@H]1CCCC(C)(C)C1	2024104717	XEJNEGXVSCIXAD-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)C(=O)Cc1ccccc1CC	2027499198	NWISDOGAYHNHPS-HNNXBMFYSA-N	246.394	4.577	0	10	BJAE	
CC(C)c1ccccc1CC(=O)[C@H](C)C(C)(C)C	2027508282	DNTXSNLHWATICX-ZDUSSCGKSA-N	246.394	4.604	0	10	BJAE	
Cc1ccc(C(=O)CCC[C@@H]2CC2(C)C)cc1C	2027844163	XKFXBBFEONQZEH-OAHLLOKOSA-N	244.378	4.703	0	10	BJAE	
CCCc1ccccc1[C@H](N)CC1(CC)CCC1	2027902161	VJVDZJPPJYOVIP-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
Cc1ccc([C@@H](N)[C@H](CC(C)C)C(C)C)cc1C	2028263519	MVJMXUUEWPWBTD-IAGOWNOFSA-N	247.426	4.622	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)C1(C)CC(C)C1	2029105011	MNJSXVKOJKEEMV-GMRIPVOYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)CC(C1CC1)C1CC1	2032164101	HMFHOPYVTMAZJA-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccc(C2(C)CC2)cc1	2032242000	BXMJFIZPGRRLJV-BBRMVZONSA-N	243.394	4.729	0	10	BJAE	
CC(C)C[C@H]1CNCCC1=CC1(C)CCCCC1	2032490504	MGZKSLIWJFVWJD-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
C1CCCC(N2CCCC3(CCCCC3)C2)CC1	2033447505	JJHUQZRAHQMUFU-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc2[nH]ccc2c1	2035424918	RGYWDZRDTMQZOF-MLGOLLRUSA-N	242.366	4.549	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(C)cc1	2035425389	SKAMKCMOKFWQQO-OIISXLGYSA-N	245.410	4.614	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCC1)C1(CC)CCCC1	2035577403	YQJUYVQLBBJRFQ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC([C@@H](O)c2ccc(C(C)C)cc2)C1	2036478740	YRHUHYDVHZRFHR-CGZBRXJRSA-N	246.394	4.670	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@@H]3CCCC[C@@]3(C)C2)c1	2036668980	WEJFRMDBSSMQCT-UAGQMJEPSA-N	243.394	4.766	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@@H](N)CCC2CCCCC2)C1	2037053038	INPWWIHAJCFOHF-XKQJLSEDSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)CC1CC2(CCC2)C1	2038084428	ZICQOQYPSDDZTO-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
C(CCNCCC12CCC(CC1)C2)CCC1CC1	2039420208	KZPUAWHVXJIIFV-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CCCCCC1CC1	2039443304	ZJHAQZLTAUKINO-BHYGNILZSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](NC[C@@H]1C=CCCC1)C1CCC(C)(C)CC1	2040636786	VICPAEDRCFOECY-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](NC)[C@@]1(C)CC=CCC1	2042028152	UCQVHJLXKIQFQD-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1([C@@H](N)C[C@H]2CCC=CCCC2)CCC1	2045316967	IINTWDJBMFFUJJ-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
CC1(CCN[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2046481486	FZLVKJALHIVYRH-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@H]1CCC12CCC2	2047933602	VHCNEQNFTOXBMT-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048366467	QOASAQNNJJVILN-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@H]2[C@H]3CCC[C@H]32)cc1	2048478837	ORTZNUIPHXZZTF-VDNDLQMASA-N	244.378	4.625	0	10	BJAE	
CC(C)(C)C1CC([C@@]2(N)CCC23CCCCC3)C1	2048607703	GIUUUFCNGUOOMA-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H](C)c2ccoc2)CC1	2049411863	LMHAOZVMVYRBAM-ZUJMUWTESA-N	249.398	4.535	0	10	BJAE	
C1CCCCC2(CCC1)CCNC[C@@H]2C1CCC1	2049669234	IBMYMNQOROICKX-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2051595948	PESJIQVCISNKKX-FOLVSLTJSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](N2CCCC[C@H]2C2CCCCC2)C1	2051669183	RILNXYIIQNQNLC-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CC1(C(=O)CC2C[C@H]3C[C@@H]3C2)CCCCCCC1	2052500882	OILIAJMUQQBAEX-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@H]1CCCCC12CC2	2053434431	SARZJAJVPORSRI-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1CC2(CCC(N)CC2)C1	2056617712	WCGKSWSJQKQOSC-VATXVYSQSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C=C1CCCC1)[C@@H]1CCCC(C)(C)CC1	2056866883	APHSQLIFQMTXKI-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@H]1CC=CCC1	2056873289	LXQKMYSGJUZFDB-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC=CCCC[C@H](NCC)c1cc(C)ccc1F	2059225139	JZXOMQIGJWTGHD-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCCCC1CC(NC[C@@H]2C(C)=CCC[C@@H]2C)C1	2059492223	NNJFOTJFZVUHBN-ZGRYLRDCSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@](N)(CC2CC(=C3CCC3)C2)CC1	2061737310	PXOZMUQKVDGLOJ-SUMWQHHRSA-N	247.426	4.565	0	10	BJAE	
CC1CCC(N)(CC2CC3(C2)CC(C)(C)C3)CC1	2063202820	CKASUZNKNNQXFP-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2C[C@H]3CCC[C@@H]3C2)C1	2063499731	CLTKWRKQLCUABB-TUVASFSCSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@@H]2C[C@@H](N)CC3(CCC3)C2)CC1	2063637246	DJVKDKDJPPHMHR-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C1CCCC1)C1CC2(C1)CC(C)(C)C2	2063808758	XIFKVPYGMHPCJY-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NC1CC2(C1)CC21CCC1	2064110831	HPFTZPUCOYOLAZ-LXTOLFJKSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](NCCC12CCC(CC1)CC2)C1CCC1	2065268545	YHKCEOZHCGTENA-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)CC12CCC(CC1)C2	2065338073	QCTGUCURNDENRT-BDVYOWHSSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)c1cc(C)c(C)o1	2068917225	OKUNUJGFNKFMDA-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
Cc1ccc2c(ccn2CC(C(C)C)C(C)C)c1	2068980669	DRXWBZWUKZCXAJ-UHFFFAOYSA-N	243.394	4.878	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CC3CCC2CC3)CCC1	2069282779	NZSIWTDCJPLBQA-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
C1CCCCC(NCC2(CC3CC3)CC2)CCC1	2069505283	LPALJVHJVIQUNI-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C2(CC3CC3)CCC2)C1	2069515995	VFKCXSHFGUKYOF-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1C[C@@H]2CCC[C@H]2C1	2070400943	ZRXOESWANLWNNC-XIRDDKMYSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@]12CCC[C@H]1C2)C1(C)CCCCCC1	2070961492	CQZYZBSZZZDSNK-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@]2(CN)CC=CC[C@H]2C)CC1	2072799137	PNGXPNGKOULPBA-VXLLPVPCSA-N	249.442	4.524	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(N)CCCCCC23CC3)CC1	2072804082	ORRWRSCLTXESSV-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
NCC1(C[C@@]23CCCC[C@H]2C3)CCCCCCC1	2074028988	KTOZVMABGDPVRX-RDJZCZTQSA-N	249.442	4.646	0	10	BJAE	
CCCc1cccc([C@H]2CCCC(C)(C)C2=O)c1	2076443966	VMMBJUMKWTXSKU-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
O=C(C1CCCCC1)[C@@H]1C[C@H]1C1CCCCCC1	2079490687	DFQFYSSIKPQKDU-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C=C1CCC1)[C@@H]1CCCC(C)(C)CC1	2080254075	AMEBMOKDYRQXRT-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@](C)(N)CC1C2(CCC2)C12CCC2	2083538924	FPICQBIIOXMWBT-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@H](CC)O[C@@H](C)c1cccc(N)c1	2086294963	IARCZFQUEYIKSM-BBRMVZONSA-N	249.398	4.705	0	10	BJAE	
CCCCCC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213285532	REVKUYOWGJSVJR-FICVDOATSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CNCCCCCCC1CC1)C(C)(C)C	2213571989	PVLQMTBWRYYVAX-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)[C@H](O)CCCCCCC1CC1	2213574691	XGJWBRMKYXNYAB-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCCN(CCCCCCC1CC1)C1CCC1	2213595235	JJYONFIEIVJQIJ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC(CC)(CC)CN(C)CCCCC1CC1	2214556669	PNFMSHLYGXDHLQ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)CCCCC1CC1	2214572574	FKULEXJAAQNBER-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@@H]1CC[C@H]1C	2214920537	UCZMTCDEPDZASX-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)CC1CCCCCC1	2215252118	MSBJUGMMKUAOOH-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)C1(C)CCC(C)CC1	2215332493	NQIXINLELKAYGD-WJEHIRDRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@]1(CNCC(C)C)CC=C(C)CC1	2215835770	SYVFQMHUDYMKRS-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCNC[C@@]1(C[C@@H](C)CC)CC=C(C)CC1	2215840615	RHCHOAQFIRFCOA-HOCLYGCPSA-N	237.431	4.539	0	10	BJAE	
CCCC(CCC)[C@@H](CCCCC(F)F)NC	2216415936	ZTUNMPUNAYVDEV-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@]1(CN[C@@H](C)CC)CCCC1(C)C	2217155935	GWUREVSPDWVRME-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@]1(CN[C@H](C)CC)CCCC12CC2	2217156853	OHCYXSGYYRASQW-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218335386	XBRCRZWKLSJNFL-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218377684	JCAXDMUOWSOZPF-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CC12CCCC2	2218719994	DQEDYKHWOQEWSA-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1C[C@H]1C1CCCC1	2218728755	XJGKLNVPRGDQQI-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H]1CC1(CNC2CC2)CCCCCC1	2220659176	IUYXECIFYHIQKE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@@]1(N)CCCCC12CCCCC2	2220672279	LXKQZRNWQRENMW-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)(C[C@](C)(N)C2CC3(CCC3)C2)C1	2221026162	SLBGXQLKKCZCSR-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(N)CCC23CCCCC3)C1	2221027529	HILLIPBMZAWYTE-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)CC1(C)CC2(CCC2)C1	2221070782	GHNVPMOXVRUYGT-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2C[C@H]3CCCC[C@H]3C2=O)C1	2221075042	BRYBGIWWLKWSDO-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1	2221643285	MRIUWMCLXSNMCB-LJIGWXMPSA-N	246.394	4.518	0	10	BJAE	
CC(C)=CCC(=O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222955253	REMACEUJWKOMSX-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222971082	GHXLPMFHWHDQFN-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)NCC1(C2CC2)CC2(CCCCC2)C1	2223542172	OMFLPXNSQCXPDL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](C[C@@H](C)C(C)(C)C)N2	2224125516	QELVFXJKBSBLAY-HIFRSBDPSA-N	245.410	4.794	0	10	BJAE	
CCCC(CCC)C(=O)c1cccc2ccoc12	2224165699	LQKGIZRBPRVFOB-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCCCC23CC3)s1	2246617586	NANAZIGIQYEKAH-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCCC1CC(N)(CC[C@@H]2CCC[C@@H](C)C2)C1	2246655372	GERWLQFUHBFCFW-QVOMUQBLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC1CC2(CCCC2)C1	2246788426	YTGYSRLHJAUGMD-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@@H]1CCC(C)(C)C1	2247168260	ZZRBLSFQBHDHFG-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H]1NC(C(C)(C)C)C(C)(C)C	2247749985	CIHFQRSBIQAJOE-QWHCGFSZSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(C(=O)CC2(C)CC2)cc2ccsc12	2248555701	NVOSBXWHWXMNHO-UHFFFAOYSA-N	244.359	4.583	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1(CN)CCCCC1	2248844330	NECHYQUDYCALNQ-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](CC)NCCCCC[C@@H]1C[C@@H]1C	2248867676	XABQUXKAZLPJQV-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cc(C2CC2)ccc1F	2250120988	MTRZFYDYFIUWFD-WDEREUQCSA-N	235.346	4.550	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)[C@H](C)C(C)C	2250467173	OGHDRCLUTBKZBA-HZPDHXFCSA-N	241.463	4.815	0	10	BJAE	
CCC(=O)c1ccccc1SC1CC(C)(C)C1	2251128950	OZRBRIKSQXUGQE-UHFFFAOYSA-N	248.391	4.560	0	10	BJAE	
C[C@H](CC(=O)C[C@@]12CCC[C@H]1CC2)C(C)(C)C	2251199995	CUBWCKJVFZPTMT-WWGRRREGSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)C[C@H]1CCCCC12CC2	2253784272	PQXYBOBLPJAGCJ-LZWOXQAQSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC1CC2(CCCC2)C1)C1CCCCC1	2254111967	IUSTUMXGFXUOTF-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C12CCCC1CCC2	2254527345	CSVBJJRBXOTTAD-QSFKDOLUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CN[C@@H]1CCCC2(CCCC2)C1	2254982103	WTJNJYUIBMPZFK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H](N)[C@@H]1CCCCC12CCC2	2255009615	BEETYHQHNJQGFX-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](CC[C@@H]2CCCC23CC3)N1	2255339530	WHKHMVWVXBNNDC-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCN[C@@H]2CC[C@@H]12	2259616345	SWAJZVPXFZFPIF-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@]23CCC[C@@H]2CC3)C1	2260568113	SFVSDCCBSKCNRF-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CCC1(NC[C@]23CCCC[C@@H]2CC3)CCCCC1	2260593583	XRDRWGQJZLPKMM-HZPDHXFCSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC[C@]1(C)NC[C@]12CCCC[C@H]1CC2	2260624735	OYTACVBDUVQPDY-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@](O)(c1ccccc1)C1CCCC1	2263751612	XMIXJDTWRQWBHZ-YOEHRIQHSA-N	246.394	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@]1(N)CCCCCC1(C)C	2298926893	PXHXHOPQYXPPLM-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC(=O)[C@@]12CCCC[C@H]1CC2	2300673112	DECDDEGRFVMKSQ-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CC1CCCCCC1	2301236178	KDZULBOOHDUAFR-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
Cc1ccccc1-c1nc2c(s1)CCC[C@@H]2C	2301280755	LGBZDHHMIVEDIL-NSHDSACASA-N	243.375	4.558	0	10	BJAE	
CCCC1(CN(C)[C@@H](C)[C@@H](C)C(C)C)CCC1	2301700388	GSDPLXCRTFTQLF-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CC(C)=CCCNc1cc(F)ccc1C(C)C	2301908319	RFCSXKYMYBBEDI-UHFFFAOYSA-N	235.346	4.717	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N[C@H](C)C1CCCCCC1	2301961767	NMRAPYKNQLTTCT-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C[C@@H]1CC(C)(C)[C@@H]1C)NCCC	2302139486	MKJIVMGFWDMCJB-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](CC1CC1)C1CC1	2303738124	MVFJEAVYPAVMTF-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CCCN(CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304435705	KDFWDOZALPMJGX-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC[C@H]1CCC(C)(C)C1	2304446307	HHOXVDKEKVRGHL-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCCC[C@@H]1CNC	2307825560	CGNGGXBKPZVRPD-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1(C2CC2)CCCC1	2307828646	LHNVLKPZXDNZBZ-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CC(C)=C[C@H](C)C1	2307839106	VVYPXTIUHKEXIN-AEGPPILISA-N	236.399	4.764	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CCC1CC(C)C1)NC	2307911003	RBTXRZPBGSECIM-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@](N)(C=C1CCCCC1)C2	2309917141	UXZUVIYWGISPCB-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC[C@@]23CCC[C@@H]2C3)CC1	2310388396	XIKMNPONUMKXHJ-VQHPVUNQSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](NCC)[C@]1(C)C=CCCC1	2311586178	FMEPGQVQALGPLE-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H]1CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2312440067	GWYDJSVUXANZTF-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)c1ccc(C)c(CC)c1	2314695658	XBSFGWKXAPHRHV-QGZVFWFLSA-N	247.426	4.702	0	10	BJAE	
CC(C)CCC[C@@](C)(N)c1ccc(C2CC2)cc1	2315951279	DRXNBMGCYCKJCL-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316750233	RHCICJRHKNAHEF-QRJUGERDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316871369	ADBKCFJYWDTUKL-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)CC2CCCCCC2)CC2(CCC2)C1	2316873852	ORSPNNRZZLXLGX-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
C[C@@](O)(CCCC1=CCCCC1)[C@@H]1CC12CCC2	2318544460	YHFCIGDXDITSSS-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@H]1CC[C@@H]1CCCC1=CCCCC1	2318593226	RKLZIWHQYPNYOG-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC1[C@H]2CCCCC[C@H]12	2318939252	RPDZLZWAICRMPC-VRKREXBASA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)(C)C1)[C@@]1(C)CC=CCC1	2319326060	LFZCZJRAIJOSGS-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(N)CCC23CCCCC3)C1	2319327292	VAOMUNUBDATNJJ-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H]2CCCC(C)(C)C2)CC1	2320415249	YTPBJIBRKLZQMJ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCCC[C@H]2C)CC1	2320423311	LKKPFLIHWYAFKF-FVQBIDKESA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H]1c2ccccc2NC[C@@H]1C	2320458140	ZSLBMOLXCPEQOB-GBJTYRQASA-N	243.394	4.658	0	10	BJAE	
CC[C@](O)(Cc1cccc(C(C)C)c1)C(C)(C)C	2320635152	WYEXJZJCFJVRNY-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H](CC)c1ccccc1	2328280537	AVUPANFEWDAOAQ-XIRDDKMYSA-N	248.410	4.758	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(C)cc1F	20520414	LRSSROBEKIVEOX-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
CCCN[C@@H](c1ccc(CC)cc1)C(CC)CC	35582690	YKVOHNRNHNZSHF-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc([C@@H](C)NCC2CCCCC2)cc1C	37259404	LQOKSNRRSJBIOO-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@H](CC)C1	70769053	JZGMUYLRYRCXAH-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)CCC[C@@H](O)CCC	70774868	FYJYVGVLLYDFEK-KBPBESRZSA-N	214.393	4.534	0	10	BJAE	
CCCC[C@H](C)Nc1ccccc1SCC	71104726	VBRUKXPIZAAKFF-LBPRGKRZSA-N	237.412	4.789	0	10	BJAE	
CCCC[C@@]1(C#N)C=CC(c2ccccc2)=CC1	71618181	RDYJNYIAMQIJHP-QGZVFWFLSA-N	237.346	4.730	0	10	BJAE	
Cc1ccc(C(=O)C2CCCCCCC2)s1	83187690	GPVVIDAERBEOHU-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)[C@H](C)C2)cc1C	84981826	WIXBAGNIWRYZIA-JGGQBBKZSA-N	231.383	4.540	0	10	BJAE	
CCCC1CCC([C@H](O)c2cccc(C)c2)CC1	87960834	HHKVBNQBSFVLPR-DQPZFDDXSA-N	246.394	4.635	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)c2cc(C)ccc2C)C1	87988878	UVSQFWQMFQEAQO-UXLLHSPISA-N	245.410	4.520	0	10	BJAE	
Cc1cccc(NC[C@@H]2CCC[C@H](C)C2)c1C	89604456	DDNILVCIYVZSLT-SWLSCSKDSA-N	231.383	4.542	0	10	BJAE	
CCCC[C@]1(N)CCCC[C@@H]1C1CCCCC1	103944478	OQLPLARWBWFJTA-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H](CC)c1ccco1	109759735	CFBRISZQUFXTKX-ZIAGYGMSSA-N	237.387	4.537	0	10	BJAE	
CCC[C@@H]1CC[C@H](NCC)[C@H](CCC(C)C)C1	110462360	ZDDHQJSKOMCKEQ-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H]1CCCc2ccccc2[C@H]1N	110517915	QLMYIPJWHHQCES-WBVHZDCISA-N	245.410	4.609	0	10	BJAE	
CC1(CN[C@H]2CC[C@H]3CCCC[C@@H]3C2)CCCC1	111619820	JQYUYRDXPXJUTK-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(C(C)(C)C)c1Cl	118279492	OBWDCWKAYAEPJS-UHFFFAOYSA-N	224.775	4.935	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(O)C1CCCCC1	122031374	PKGPNEXJZAJEEX-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H](C)CCC)NC	126008280	WPETXDKQPHOMGA-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CC1(C)CC[C@@H](Nc2ccc(C(C)(C)C)cc2)C1	129200674	OBVWFIKEMZHTCK-OAHLLOKOSA-N	245.410	4.975	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccccc1	148290955	BXDYPFZPBRBYLA-PVAVHDDUSA-N	246.394	4.664	0	10	BJAE	
CC[C@@H](C)C[C@@H]1CCCCC[C@@H]1CNC(C)C	155821700	JWDKOBORCSTDFS-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC(O)(CCC)C1CCC(CC)CC1	163741099	DULMCTRYMGQMOD-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H]1CCCC[C@@H]1CNC1CC1	211931300	ZGHJDSASXNIOMD-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC1(O)CCCCCCCCCCC1	216786474	QDEDAIHMKFPIJU-UHFFFAOYSA-N	226.404	4.822	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@H](NC(C)(C)CC(C)(C)C)C1	221913381	JJQUTBLQEWQVJP-MCIONIFRSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)CC[C@@H]1C(C)(C)CCC	222607292	LYHMOKZOPARMJG-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C(=O)c1cccc2ccsc12	229332155	YQEGNYMEWPTXSX-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CCC(CC)C[C@]1(N)CCC[C@H](CC(C)C)C1	230788347	BDKDOBRCWXEPSD-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2ccc(C)cc2F)C1	235679816	AVBZTCGXERBKPC-OCCSQVGLSA-N	247.357	4.538	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(C)cc1C	252966014	XJJAGKJZJWMSQK-INMHGKMJSA-N	245.410	4.533	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C[C@@H](C)CC(C)C	302326586	KHOONTJNTVHWQJ-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](F)c1cccc2c1NCC2	302459892	YIYSJSUUVLGOLA-SWLSCSKDSA-N	249.373	4.738	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C(C(C)C)C(C)C	302518877	DHYANICKCPHJBT-LSDHHAIUSA-N	241.463	4.848	0	10	BJAE	
CC(C)C[C@H](CNC(C)(C)C)[C@H](C)CC(C)C	302535594	HJHWYVGHHBMRNM-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
C[C@H](C[C@@H](O)CCCC(C)(C)C)c1ccccc1	305918871	LINAJEXDUHCIGH-ZBFHGGJFSA-N	248.410	4.758	0	10	BJAE	
CCc1cc2sc(SC)cc2cc1Cl	307192576	BFNGSGUKKMXRKK-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H](CC)CC(C)C	308083559	SVRWJKNADQPGDT-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)C[C@@H]1CCC[C@H](C)C1	308090778	GPUHJULEPOLLFE-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@@H](CC)CC(C)C	308100753	RHFNSTSFJRJAHF-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CC1CCC(C)CC1	308108046	XATLLRKHMGRDJH-CKUJCDMFSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)CCC1CCCCC1	309990239	KXTNWEWEZYYEHP-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCC1([C@H](C[C@@H](C)CC(C)C)NCC)CC1	310265554	HFQLHMFQZACJDF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCCCF)NCCC	310311948	QXCZDVFQOYAYLQ-CABCVRRESA-N	245.426	4.711	0	10	BJAE	
CC(C)C[C@@H](C)CN[C@H](c1ccccc1)C(C)C	310579525	ONBDLVMZKDDXMD-WBVHZDCISA-N	247.426	4.656	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cc2cc(C)ccc2o1	310669850	GTXIZAQFKWFMDU-LRDDRELGSA-N	246.350	4.601	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@H](C)c2ccccc2)C1	310805675	YKFSDDXWXUDZKX-RBSFLKMASA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)c1cc2ccccc2o1	311133900	DELQUJKBJQNCTK-AWEZNQCLSA-N	246.350	4.539	0	10	BJAE	
CCCN[C@H](CC1CC1)c1ccccc1C(C)C	311235665	SZCLYYWTKLCZHJ-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)C)CCC[C@@H](C)C1	317707508	IAGNZUVZBGETIA-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@H](CC/C=C\c1ccccc1)NC	324270062	LBXNZJMRGDBPJU-HOFZKYPUSA-N	245.410	4.648	0	10	BJAE	
Cc1cc(C(=O)C[C@H](C)C2CCCCC2)c(C)o1	381012089	MDPIJACBLOYSFC-NSHDSACASA-N	248.366	4.686	0	10	BJAE	
CC(C)CCCCCSc1cccc(O)c1	383180809	UWHWCKMGKLQCRU-UHFFFAOYSA-N	238.396	4.701	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1C[C@H](C)c2ccccc2N1	383558654	ZTEBHYHDYHHBKC-HEHGZKQESA-N	231.383	4.657	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CCCCC1)C(C)(C)C	383941458	DZWQPFARDMUQIX-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(=O)c1ccc2ccccc2c1C	384695397	JFQWPQWWIDMTOF-UHFFFAOYSA-N	240.346	4.911	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC[C@H](O)c2ccccc2)C1	385173895	HOXKAWCTHIHMBG-INMHGKMJSA-N	246.394	4.717	0	10	BJAE	
CCCC1(NC[C@@H]2CCC[C@H](C)C2)CCCC1	394422053	DMUBOAQXCRJPFL-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C1CCC(N[C@@H]2CC23CCCC3)CC1	395661574	YTAQLXGDNKTXAK-YMAMQOFZSA-N	249.442	4.514	0	10	BJAE	
CCOc1cc(Cl)c(CC)c2sccc12	396194846	VMAMACLNDJMHFD-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1c(C)c(C(F)F)cc2sccc12	396259906	YJBHJUHUYCLRTB-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CC[C@@H](Nc1cccc(SC)c1)[C@H]1CC1(C)C	397620236	RQZJXHRLOIBKLI-ZIAGYGMSSA-N	249.423	4.645	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@@H](C)C(C)(C)C	398904873	JFTUSRISCCBCDU-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@H]1CC=CCC1)C(C)(C)C1CCC1	402358289	OLULJEGMTFSXSU-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCC1CC1)c1ccc(C(C)C)cc1	405841054	IOYCVENLNWATQG-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
C[C@H]1CC(Nc2ccc(C3CC3)cc2)C[C@H](C)C1	690103362	VAMXDIBCQYAQEA-CHWSQXEVSA-N	243.394	4.801	0	10	BJAE	
C[C@H](C[C@]1(O)CCCCC[C@H]1C)c1ccccc1	691127842	NFKYSMGCQMNRNY-BFYDXBDKSA-N	246.394	4.512	0	10	BJAE	
CC1CCC(CNC(C)C)(CC2CC=CC2)CC1	692163050	ADVVNMLGNVLUGT-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCCC1)C1CCC2(CC1)CC2	695666579	KCOWEFOMRXIOSF-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@H](C)C1CCCCC1	696176449	JITKMAWQOSQLKP-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](CCC(C)(C)CC)NC	696560411	GWWPZRWFBQPCSS-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC(C)=CCCc1ccc(OC2CCC2)cc1	698003763	MBXSHYQLHWZOCD-UHFFFAOYSA-N	230.351	4.517	0	10	BJAE	
CC(C)=CCC[C@]1(CNC(C)C)CC[C@@H](C)C1	698054456	OOLQCQAESVXUER-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCc1ccc(Cl)c(Cl)c1	698086300	VPKNOSLZOGGOJU-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
CCCN[C@@H](C(C)(C)CC)C(C)(C)C1CCC1	701153631	HKRCONUGSMPYKN-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@]1(N)CCCCC[C@@H]1C(C)C	704457974	CVDPGJBPSIQSAY-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
C[C@](N)(C1CCCCCC1)[C@H]1CC2CCC1CC2	704504883	CEFFIMCRIHMQOA-LCSXWQTCSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H](C)CC(C)(C)C	704584315	JGSGLRKMFBBKHS-STQMWFEESA-N	228.420	4.636	0	10	BJAE	
CCCCc1ccc([C@@H](N)[C@H](C)CC(C)C)cc1	704757052	WWSXLZYYPDELSS-PBHICJAKSA-N	247.426	4.711	0	10	BJAE	
CC(=O)c1ccc(S[C@H]2CCCC[C@H]2C)cc1	704910748	VYPRUZLTMUVYCB-ABAIWWIYSA-N	248.391	4.560	0	10	BJAE	
CCCC[C@@](C)(N)C[C@@H](C)C1CCCCC1	704954074	CJCTYEAIVSONLF-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCC1	704977124	YQIUHYVPMIIJTG-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1(CN[C@H]2CCCC23CC3)CCCC1	706519906	XXBDOQOTRZUFNB-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](O)(C[C@@H](C)CC(C)(C)C)C(C)(C)C	709125872	AYEXXRHTUORGJQ-SWLSCSKDSA-N	228.420	4.636	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)CCCCC[C@H]1C	709218004	VZKALRDVLGUIJM-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
Cc1cscc1C(=O)C[C@H](C)CC(C)(C)C	709273283	OHCWBVXRYMWYLW-JTQLQIEISA-N	238.396	4.702	0	10	BJAE	
CN[C@H](C1CCCCCC1)C1CCC2(CC1)CC2	709939449	MYEDKSINYLBMPR-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C(=O)C23CCC(CC2)CC3)C[C@H](C)C1	710324806	XDPAIQKXJMERCX-GXZXJKLZSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1cscc1Cl	710472122	GDXXBMOZMHZHKT-BXKDBHETSA-N	245.819	4.618	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)(C)C)C1(CC)CC1	711148405	GQVLPVXKGNMFOX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@H](C[C@H](C)C(C)(C)C)C(C)(C)C	711172514	KPFWERGYQOKOCV-UONOGXRCSA-N	241.463	4.721	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C[C@@H]3CCCC[C@@H]32)CC1	712368814	FCJWZIZGDKFKDG-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H](C)CC(C)(C)CC	713268553	LTBRAUGGMRZKFM-HOCLYGCPSA-N	247.426	4.800	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1c(F)cccc1F	714551348	CAHAGAIEIZECDJ-MVIFTORASA-N	224.294	4.815	0	10	BJAE	
CC1(CNC2(C3CCC3)CCC2)CCCCCC1	717886619	ZXNJJTFPVKZWBG-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CC(C)(C)CC[C@H]1CN	718492659	HYSOFIUSZVTPBU-GJZGRUSLSA-N	237.431	4.524	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@H](C)CC(C)(C)C	718637596	NHOOLEPJQIKSMU-KGLIPLIRSA-N	226.404	4.556	0	10	BJAE	
CC(C)=C(C)CCC[C@H]1C[C@H](C)O[C@H](C)C1	724862417	HLKOFVIRBYZLFS-QDMKHBRRSA-N	224.388	4.717	0	10	BJAE	
Cc1ccc2cc(-c3ccsc3C)ccc2n1	1240500476	XMSKHRPBFSLXIJ-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CC(C)=CCCCC[C@@H](C)C(F)(F)F	1888871332	JNSJQNRJXLCODE-SNVBAGLBSA-N	208.267	4.711	0	10	BJAE	
CCC(C)=CCC[C@H](O)c1cccc(Cl)c1	1900841597	ZWOWPCQWSMCZPY-AWEZNQCLSA-N	238.758	4.510	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1CCCCCC1	1901089061	GQSOOPLRUKELTQ-CQSZACIVSA-N	224.388	4.742	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@H]2CCC2(C)C)n1	1901911924	KZCOIZAFYVQNQL-NXEZZACHSA-N	235.396	4.560	0	10	BJAE	
CC(C)C(=O)CCCCCC1=CCCCC1	1901961859	GDIXYIJHDOLLIG-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1CCC(C)(C)C1	1902378631	HWTYUHCOMVBABF-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccccc1Cl	1905295455	WCPWJKDHVBNAKE-LLVKDONJSA-N	238.758	4.739	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1(C)CCCCC1	1905450401	OLLXAUQQXFRDOX-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCCC[C@@H]1C	1905451944	WNLHGTVSIOHXNE-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)[C@H](N)CCCCC=Cc1ccccc1	1911954022	FRQQPWJVVKPQQV-MRXNPFEDSA-N	245.410	4.634	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C2CC3(CCCC3)C2)C1	1912603978	IDIDVPLQXIORSG-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCN[C@H]1CCC2(CCCCC2)C1	1915884244	QKNFOSNDIJXUCA-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](N[C@@H]2CCC3(CCCC3)C2)CCCCC1	1916462738	BKROGNDSIIWUHO-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CCCCCC[C@]1(CNC(C)C)C=CCCC1	1916580698	TTZXKIHTTPIAML-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(F)ccc1NC1C[C@H]2CCC[C@H](C1)C2	1923472399	RRLIHVQCDURVGS-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@H]1C=CCCCC1	1925775734	WZVFMHUNIVJKJI-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
Cc1cccc(NCCCC2(C)CC2)c1Cl	1935931809	QKRVTEFBQMZBNB-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
Cc1cc(NCC2C[C@@H](C)C[C@H](C)C2)cs1	1937458508	OLMPEAZHPAIRCF-QWRGUYRKSA-N	237.412	4.541	0	10	BJAE	
CCCC[C@H](CCCC(C)=C(C)C)NCC	1939110498	GLBXTABAWMVTAQ-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CN[C@H](CCC(C)(C)C)CC1(C)CCCCC1	1940411235	VJABAQGVQWTJEE-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](O)(CCC[C@@H]1CC1(C)C)C1CCCC1	1940873728	CYQWCNCIQZEXDR-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1CCC[C@H]1C)NCC	1944819561	LGHLZAZMTATTPM-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@](C)(N)CC1CCCCC1	1944841977	GHQJVRFWYGDJPA-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)c1cccc2ccsc12	1945746658	FPRBAHBXXQVLKA-LBPRGKRZSA-N	244.359	4.520	0	10	BJAE	
CCCCCCC1(N)C[C@H]2CCCCC[C@@H]2C1	1947860752	WSPQREHKAWVUHW-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C1CC1)CC(C)C	1948845689	FGFUPAAUOYRUMC-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)[C@H]1CCC(C)(C)C1	1949432148	ILCDMQFNJXWUHJ-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](CC1CC2(CCC2)C1)NC	1949734158	OEINARVSCMHASE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H]1CCC2(CC2)C1	1950268794	VXZUKNPNASHUSS-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(CN)CCC[C@@H](C)CC1	1950931716	YRFUUPUOKMTWPB-OWCLPIDISA-N	239.447	4.604	0	10	BJAE	
CC[C@H](C)c1csc(CC23CCC(CC2)C3)n1	1950957916	JOMOZPRORKXANB-BZUNDVKYSA-N	249.423	4.779	0	10	BJAE	
C1CCC([C@H]2CCCN2CCCCC2CC2)CC1	1962787819	XMESKQNYWHTMDS-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N[C@@H]2CCCCC23CCC3)C1	1967791018	DLTIBQUZVLEHHM-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1CC(Nc2cccc(Cl)c2)C1	1968258600	BIATVYXWMGTWSP-UHFFFAOYSA-N	237.774	4.577	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC3(CCC3)C2)cc1Cl	1968262635	NROYQGKXWWDPIL-CYBMUJFWSA-N	249.785	4.783	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC2(CCC2)C1)C1CCCC1	1970932539	LZZSCMUJLGZSHB-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC(C)CC1(CN[C@@H]2CCC23CCC3)CCCC1	1971025613	HYLHGBHVQMMKQA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)C[C@@H](C)C(F)F	1971390309	VLGUHHZLXOYURS-UPJWGTAASA-N	249.389	4.615	0	10	BJAE	
C[C@@H]1CC[C@@H](CNc2ccccc2C2(C)CC2)C1	1973423003	RTZCELUVBMKKSA-ZIAGYGMSSA-N	243.394	4.586	0	10	BJAE	
Cc1cscc1NC1CC(C)(C)C(C)(C)C1	1976774072	IXKPTDNTLOVXCF-UHFFFAOYSA-N	237.412	4.683	0	10	BJAE	
CC=CCCC[C@H](NCCC)C(CC)CC	1984616769	QJMUAQYVZDPGQU-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@H](C)CC(C)C	1986944112	OUYANZGHWJMFBV-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CCCC1(C[C@@H](N)C(CC)(CC)CC)CC1	1990649271	KUYAYYVXHQIXOV-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NC)C(CC)CC	1995260550	WSGYPXBIKNEGFP-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)NC[C@H]1CCC[C@@H](CC)CC1	1997101256	XXSUDLUNMQHWRF-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)C[C@@H]1CCC=CCCC1	1999978856	JRALRCOCDVSFHZ-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC(C)c1nc2c(s1)CC1(CCCCC1)CC2	2000271969	CEXZCEAEKFGKCX-UHFFFAOYSA-N	249.423	4.706	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@H]1CC[C@H](C)C1)NC	2000324612	UVCKZUMTNGWKDK-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@]1(CNCCC)CCC12CCC2	2001854627	ONQWWKYSMGMOHD-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CN[C@H]1CCCCCCC[C@H]1CCC(C)(C)C	2003115501	BLWWJCBVSCINHF-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@@H](NC2CCC(C)(CC)CC2)C1	2004368212	AZFCEGILEFIOMG-JWMHWRSXSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CCCCC12CC2	2005536608	NWFLKKNPWXZLCR-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
CCc1ccccc1NC1CC[Si](C)(C)CC1	2006997169	HAFITOQNOAOPBT-UHFFFAOYSA-N	247.458	4.532	0	10	BJAE	
CCC1CC(C[C@@H](N)C[C@@H](C)CC(C)(C)C)C1	2007745998	FWTGCNPVRPULGM-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H]1CCC(C)(C)CC[C@@H]1CCCC(C)C	2009406828	JIRYPBVRHOJJHI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCC(=O)C1CC2(C1)CC(C)(C)C2	2009579006	UFEMFIXGRZNIFT-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCCCC1CC(NCCCC2CCCC2)C1	2009711919	FRQQNJRHEGRVPE-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCC1CC(N)(C2CCC(CC)CC2)C1	2009788971	GAYNIKMZGZTHJW-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC1(O)CCCCCCCC1	2011561078	ISSQTDNZEVRIQL-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2012003352	WFMCJVVDYSMORJ-ZSOGYDGISA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)CNC12CCC(CC1)CC2	2012829754	KWELFZPKEVTERW-QQFBHYJXSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)CC1CC(F)(F)C1	2014277496	YDUFXDPUNCXKJC-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCN[C@H](c1sc2ccccc2c1C)C(C)C	2014293886	VLBCHNKNDLTAGV-AWEZNQCLSA-N	247.407	4.516	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(O)CCC[C@@H](C(C)C)CC1	2015283763	HLDVLKZEVJULFP-BZUAXINKSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC(C)(C)NCCC(C(C)C)C(C)C	2015344332	JOLOZWLLBVYFNJ-UHFFFAOYSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC[C@@]1(C)CCCCCN1)C(C)C	2015358325	PEKCJSYNZCDJJB-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC[C@](C)(N)C1(C)CCC1)C(C)C	2015360882	MVRMACHTEAMMRE-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C(C)(C)CC)C1(CC(C)C)CC1	2015753859	XJBNXLVFEBMUHV-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](C)CCC=C(C)C)[C@@H]1C	2016149978	OPJAMCPLVRBQOH-JJXSEGSLSA-N	237.431	4.536	0	10	BJAE	
CC(C)(C)C1(CC[C@@H](O)C2CCCC2)CCC1	2017116362	JDDKOEKWTBXVOB-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C2(C(C)(C)C)CCC2)C1	2017133537	SSUWIFBSRBLQGY-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)C1(C)CCCCCC1	2017477902	MKCGAQYOQJIBIS-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C(C)=C(C)C	2017488132	VIUGDJKXRJSRTQ-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CCC[C@](C)(CNCC)C[C@H]1CC[C@H](C)CC1	2017725845	VBUOBVQMZFKNQD-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(CCC[C@@H](NC)C(C)C)CC1	2017737024	MMUJRMBJMZNFPN-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(N[C@H](C)C(C)(C)CC)cc1C	2017745912	GKZKJGNJYRVBNL-CYBMUJFWSA-N	233.399	4.794	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CC(C(C)C)C(C)C	2017787966	MZTZWADGKJRAKM-AWEZNQCLSA-N	241.463	4.671	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CCC2(CC2)C1	2018128188	WUTVNMMDSVCPAK-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2018133002	ZAJODEIXUYKFJQ-FXUDXRNXSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@](N)(CC)CC(C)(C)C(C)(F)F	2018133228	BSWLRSMOOHGDMY-AWEZNQCLSA-N	249.389	4.746	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)C[C@H](C)C(F)F	2018135041	VCOJUZAKULNYHU-XQQFMLRXSA-N	249.389	4.615	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC1CC(CC)C1	2018180881	BXHXCLSZMDOEGH-GPANFISMSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)C1(C)CCC1	2019000279	POPOLOCXDOXLEZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@]1(N)CCC[C@H]2CCCC[C@H]21	2022995452	UKXGLOBXOBJMEN-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2CCC(C)(C)CC2)C1=O	2023994152	QMGAARLESYVUSO-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](N)c1cc(C)cc(C)c1C	2024058988	JYYMOYLXZFWDEW-MRXNPFEDSA-N	233.399	4.582	0	10	BJAE	
CCN[C@H]1CCC(C)(C)C[C@@H]1CCC(C)(C)C	2024120749	YXSSUBSWYXMXBD-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@H](C(C)C)C2)cc1C	2025572049	MZIPWCOLJNJNPJ-HOCLYGCPSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H](C)CC(F)F	2026168272	YYQCDHADYGEDKH-AVGNSLFASA-N	249.389	4.602	0	10	BJAE	
CC1(C[C@@H](N)C[C@H]2C[C@H]3CC[C@H]2C3)CCCCC1	2027311243	ISKKFDYHGDTOQK-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)C(=O)Cc1ccccc1CC	2027499199	NWISDOGAYHNHPS-OAHLLOKOSA-N	246.394	4.577	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)c1ccccc1C1CC1	2028576673	QWKOZAWFNPWYQK-TZMCWYRMSA-N	242.362	4.573	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(C2(C)CC2)cc1	2028607211	CAFYXXLSUOAKTO-INIZCTEOSA-N	246.394	4.742	0	10	BJAE	
C[C@H]1CCC[C@@H](NC2CC3(CCCCC3)C2)CC1	2028881848	VEQGJGBBUMEITI-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC[C@](O)(c1cccc(C)c1)[C@@H](C)CCC(C)C	2029837191	NQCJACCIAMASSC-DOTOQJQBSA-N	248.410	4.665	0	10	BJAE	
CN[C@H](CCCC1CC1)[C@]12CCCC[C@H]1CCC2	2031759834	JNWLQUSGPJYPQV-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(N)C[C@@H]3CCCC[C@H]3C2)C1	2034158690	KGMLAQRPRYRKQS-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CCC[C@@H](F)C1	2034892172	RIWJZWDWHUPHTL-QWHCGFSZSA-N	248.341	4.521	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@H](C)c2ccccc2)C1	2036487764	WLOOYKNERTVVNW-BZOOQXSSSA-N	244.378	4.576	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@](C)(N)[C@]12CCCC[C@@H]1C2	2037177884	HECNHWOCGLPILD-FSDCSDTHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCNc3ccccc32)C1	2037698711	PKIDGTXDKHUCED-KGLIPLIRSA-N	243.394	4.802	0	10	BJAE	
CCC1CCC(C[C@@](C)(O)c2ccccc2)CC1	2038165682	MNZNPFHPPFIJIF-VMBOVVBDSA-N	246.394	4.501	0	10	BJAE	
Cc1cccc(N[C@@H](C)C2CCC(C)CC2)c1F	2040633340	NVABRXYWJVXHQZ-QRMWWUJWSA-N	249.373	4.761	0	10	BJAE	
CC[C@](N)(CC1=CCCC1)C1CCC(C)(C)CC1	2040647281	LHMFATLDGDCPGN-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(CC2CC2)cc1	2040730515	LCXGHVWMZSCXOI-CYBMUJFWSA-N	244.378	4.648	0	10	BJAE	
CC1(CN[C@H]2CCCC[C@H]2C(C)(C)C)CC=CC1	2042076334	NCOFOGBYRPJEIF-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC1CC([C@@H](C)N[C@@H]2CCCC3(CCCC3)C2)C1	2043547903	UISNJTQPNDKNDJ-GYTBAZASSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@@H]1CCC[C@@H]1C[C@@H]1CCC=CCCC1	2045328338	DLFHWYMCVIVRJG-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC[C@]3(C)CCC[C@@H]23)C1	2045528975	HLBSKTUCCABOMV-UXLLHSPISA-N	249.442	4.610	0	10	BJAE	
CCCC1(C(=O)C[C@H](C)c2ccccc2)CCC1	2045565233	RYJFGPDKXAGVPL-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
Cc1cc(F)ccc1C(=O)C1(C)CCCCCC1	2045595279	CURKJNRJSVWKRO-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC(C)(C)[C@]1(C[C@@H]2CC23CCCCC3)CCCN1	2047016404	OPQILSQQYXSXED-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C[C@H]1CCC12CCC2)CC1(C)CCCC1	2047929792	TVISMKKDILNLEM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C2[C@H]3CCCCC[C@H]23)CC1	2049213008	XCEUFQOYZFBFRD-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CC2CC3(CCC3)C2)C1	2049528415	JEUPYRPPYPJWIP-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@]1(C)NC[C@H]1CCCC2(CC2)C1	2049852748	FMBKTSHKWHPAKW-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2CCC3(CC3)C2)C1	2049961371	DPKPSGVGFKQKLD-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCC1(CC)CCc2[nH]c3ccc(F)cc3c2C1	2051619050	YOKOJDPLKQMVOS-UHFFFAOYSA-N	245.341	4.602	0	10	BJAE	
C[C@H](N(C)[C@H]1CCC2(CCCC2)C1)C1(C)CCC1	2052333014	YUGSEDWEHROKIL-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CC1(CN[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCCC1	2052502631	LJALMLWZARVVMP-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1	2056538338	UXCLNFUWHMJYMB-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NC)c1ccc(C(C)C)cc1	2059250494	QXCGQUHNFNHXRO-RTRPANQVSA-N	245.410	4.817	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1cc(C)cc(C)c1	2059257478	XZWRSJFRPPHOHU-UABRLCRWSA-N	245.410	4.700	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C)CC1)C1(C(C)C)CC1	2060923153	WKSUUFSXOSHXRR-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(C1=CC[C@@H](C(C)(C)C)CC1)C1CCC1	2061114220	WNLRKMNCBFKNQM-DYVFJYSZSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC(CC(=O)CC2CC(=C3CCC3)C2)C1	2061695956	KFKZDPLGVDKMKP-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
O=C(CC1CCC=CCC1)C1CC(=C2CCC2)C1	2061733074	BCNXHDZMZMEEFH-UHFFFAOYSA-N	244.378	4.583	0	10	BJAE	
Cc1ccc(OCC23CCC(CC2)CC3)c(C)c1	2065285000	ACYOVWIZCATLIV-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NCC12CCC(CC1)CC2	2065299287	ZNBYBXPLOPWSOZ-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N(C)C[C@H]1C=CCCCC1)C1(C)CCCC1	2067600098	BSUZQIVDSMLGGA-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CCC[C@@H](NC[C@H]1CCC1(C)C)c1ccccc1	2068239941	QNSFPKVWMPWBFC-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
CN[C@@H](CC(C(C)C)C(C)C)c1cccc(C)c1	2068816287	AFWWGTRLXHOSPO-KRWDZBQOSA-N	247.426	4.574	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)[C@@H]1CCC2(CCCC2)C1	2070296260	QZFKNOJGMBDEQZ-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
C[C@@H](Nc1ccc(C(C)(C)C)cc1)C1CC=CC1	2070795574	NNNWZVPPIUMXQX-CYBMUJFWSA-N	243.394	4.751	0	10	BJAE	
CCCC[C@H](C)C(=O)C1CC(c2ccccc2)C1	2071406700	IEBWVEMXSLWNTB-JEYLPNPQSA-N	244.378	4.576	0	10	BJAE	
CC[C@@](O)(C[C@H]1CC[C@H](C)CC1)c1ccccc1	2072670343	XZCHJDBDLVDPAD-BFYDXBDKSA-N	246.394	4.501	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(OCC)cc1	2073345016	FVCQWYOEHIEPCE-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@]23CCCC[C@H]2C3)CC1	2074023382	CDQSJVYTWGMMPN-LTIDMASMSA-N	249.442	4.645	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@@]23CCCC[C@@H]2C3)CC1	2074090746	LDINLEBSIBVWSP-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1CN(C)[C@@H](C)CC(C)C	2075229409	MWMOEUVAHNJQLU-HNNXBMFYSA-N	247.426	4.506	0	10	BJAE	
CC(C)(CCC(=O)[C@H]1C[C@@H]1C1CCCC1)C1CC1	2079471981	CJPVWIQITANEKO-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CC(=C1CCC(C(C)(C)C)CC1)[C@@H]1CC[C@@H](N)C1	2082174186	TVTHYIHBNWSHTI-YTPLPTRZSA-N	249.442	4.667	0	10	BJAE	
Cc1sccc1-c1ccc2cc(O)ccc2c1	2087916835	FFYBHNMUKJJRRO-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCC[C@@](C)(CN[C@H](C)CC)CC(C)(C)C	2212575810	FYFRERZSUHOQIX-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CC1(C)CC(C)(C)C1	2215399541	WZMPTAYUZDSGOH-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC1(C)CC2(CCC2)C1	2215470481	AOLCCWMCVCUSAK-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCNc1ccc2c(c1)SCC2	2216750174	TWJNBNAFSRUDTB-UHFFFAOYSA-N	249.423	4.573	0	10	BJAE	
C[C@@H]1C[C@@](N)(CCCCCCCC2CC2)[C@@H]1C	2216861360	UYNZWXOEGADLQC-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CCC1[C@@H]2CCCCC[C@@H]12)C1CCCCC1	2220288448	JZXRTOWYKSIJDB-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CC)[C@@H]1CC=CCC1	2220873292	ACTFXPNALMFOOJ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCN(C)CC1(C)CC2(CCC2)C1	2220938954	HFSUZFSYKSRFJA-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CC1(C)CC2(CCC2)C1	2221042333	WZZKYIWRUFCQQR-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1C(=O)CCC1(C)CC(C)(C)C1	2221077720	ZKSPDDHGKOBTKX-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CC1=CC[C@H](N[C@H]2CCCCC[C@H]2C(C)C)CC1	2221661710	OCOSTRYZAPNGJV-ULQDDVLXSA-N	249.442	4.680	0	10	BJAE	
CC1CCC(CC2(CNC3CCC3)CCC2)CC1	2223561795	CZLAKTIQUDBLNH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](N)c2ccc(C3CCC3)cc2)CC1	2223691167	AYVGMRUFCUPRJB-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2(C)CC(C)C2)CC1	2246519716	OQOYJWNPMXYULY-GRAKBVBRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC[C@H]1CCC[C@@H](C)C1	2246690732	BJUCENKZPVDALZ-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@H]1CCC1(C)C)CC(C)(C)C	2247305748	DDDXYNGNPNHMJQ-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@H]1CC1(CN)CCCCCCC1	2247440995	NBRGAMMGQLLHSD-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
COCC1(CCC2=CCCCC2)CCCCC1	2247513189	HZVWGGGSAOUYDO-UHFFFAOYSA-N	236.399	4.864	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](C)CCC(C)C	2248100664	SOEPTPDTSOVDNG-LBPRGKRZSA-N	237.362	4.625	0	10	BJAE	
CC(C)NCC(C)(C)CCCCC[C@@H]1C[C@H]1C	2248847132	YFNMQECKEOIFAH-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)[C@@H](C)CCC(C)C	2250354524	DQGMHQBSMWDKKX-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1=CCCCC1)NCC	2250356952	GUYKOICQKPGRRU-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(NCC2CC3(CCCC3)C2)ccc1F	2254077108	DRLBJXDBAOQUEV-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CC1(C(=O)CC2CC3(CCCC3)C2)CCCCC1	2254107346	MTIBFRRNYDBZBQ-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@H]2CCC23CCC3)CC1	2254981179	UUCBNULXEQQFCQ-LVDPKSTMSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C[C@H]1CCC12CCC2	2255020238	YESSCRFTLOAKEU-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@H]2CCC23CCC3)CC1	2255025300	PIQNZNXXNRQKLG-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](N)CC[C@H]2CCCC23CC3)CCC1	2255285736	YOBACCQOYJAGFE-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
O=C(CC[C@H]1CCCC12CC2)CC1CCCCC1	2255317897	OLDOCYDVNGYIIG-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC1(N)CCC2(CC1)CC2	2257362695	UDMXJQCXIYUGFO-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)c1ccc(C2CC2)cc1	2259436738	IIJYBBYEBYZMDN-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cc2cc(C)ccc2o1	2259447209	KYWYZVJTFXWUAD-WBMJQRKESA-N	245.366	4.567	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CCCCCC1CC1)C2	2259582435	IIGJLHAUKYCXSW-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(NC[C@]23CCCC[C@H]2CC3)CC1	2260552841	YANDKTSDEGJSDO-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)C[C@@]12CCCC[C@H]1CC2	2260574741	OZWXLHPRUQRKIR-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@]12CCCC[C@H]1CC2)c1ccccc1	2260582432	JSBVPQCAWNLDBV-DOTOQJQBSA-N	242.362	4.620	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@@]23CCC[C@@H]2CC3)C1	2260657866	LFXPKGDWSYDYKO-FAYQHZLMSA-N	246.394	4.518	0	10	BJAE	
CC(C)[C@]1(C[C@@]23CCC[C@@H]2CC3)CCCCCN1	2260658329	OMDIOGKLIIEZNA-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H]1CCC[C@@]1(C)O	2298648303	DBTKZTHHURLXFI-OWCLPIDISA-N	240.431	4.780	0	10	BJAE	
CCC(F)(F)CNc1cc(C(C)C)ccc1C	2300455125	CLDXKCVQNDVWHP-UHFFFAOYSA-N	241.325	4.576	0	10	BJAE	
CCC(CC)CC[C@](O)(CC)C1CCCCC1	2300672924	BNXMPOJUQXWAAU-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](C)[C@H](CCC(CC)CC)C(C)C	2300684217	RQDVOAKSNPUVBT-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H]1CCC[C@@H](CCC(CC)CC)C1	2300688865	RHOCKDSFLPRMRI-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@@H](C)CC(C)C	2300691055	PGGWVLWTOOJBGC-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C[C@H](C)C(C)(C)C	2300871112	BUNUBOAFNSJQIV-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CC[C@@H](C)N(CC)CC=C(C)CCCC(C)C	2300885574	JGXCXVIYJJOCKX-MRXNPFEDSA-N	239.447	4.879	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1CC=CCC1	2301922928	FJZGGGVMWCATGY-OAHLLOKOSA-N	232.367	4.583	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@@H]1CCC(C)=C(C)C1)NC	2303593998	BGPOESLTACEJGC-NUEKZKHPSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H](CC1CC1)C1CC1	2303738770	UVRLLTOEAGDLLI-CQSZACIVSA-N	249.785	4.639	0	10	BJAE	
CCC[C@H](CC)CC1(N)CC(C2CCCC2)C1	2307829954	YURPCLKXSKCWOW-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309184918	NZQPLFJBTDBMJN-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
C1CCCCC(N[C@H]2CCC[C@H]3CC[C@H]32)CCC1	2309518397	UYZIIXHSNPCDAS-UAGQMJEPSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)CC[C@@]12CCC[C@@H]1C2	2310385269	DKGLPFPJWWWLOM-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]2C2CCC2)CC1	2311509712	ICBLIDPWEFRKHB-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@@]12CCCC[C@@H]1CC2	2313292154	JSRQRYVYKIZVNF-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](NC[C@@]23CCCC[C@@H]2CC3)CC1	2313313598	DFQFUCHGDQVNPY-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(C(=O)C[C@@]23CCCC[C@@H]2CC3)C=CCCC1	2313335070	RNIXCSGUEPGVJR-OIISXLGYSA-N	246.394	4.662	0	10	BJAE	
C[C@@H](CC1CCC1)N1CCCC[C@H]1C1CCCC1	2313599421	KPEOXXFDCKSDDO-YOEHRIQHSA-N	249.442	4.610	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC(C)C)CCC12CCC2	2316492709	UQHSDTDQGGLMJY-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@]1(CNC(C)C)CCC12CCC2	2316492711	UQHSDTDQGGLMJY-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(=CCC1(N)CC2(CCC2)C1)CCCC(C)C	2316523508	VDEYCUDCZMHWDZ-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CC1	2316873778	IDZGBXTVVNRMTN-BFJAYTPKSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc2c(ccn2CC2CCCCCC2)c1	2317017116	YAFPLOZJOQBLGY-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CCNCc1cc(C[C@@H](C)CC)cc(C(C)C)c1	2317091478	YFJOPSALKKWQNF-AWEZNQCLSA-N	247.426	4.508	0	10	BJAE	
CC[C@H](N[C@H](C)[C@@H](C)C(C)C)c1ccc(C)cc1	2317629214	GMLPZLZHGCAXKT-UXLLHSPISA-N	247.426	4.716	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1[C@@H]1CC(C)(C)[C@H]1C	2318246743	CITDJTQNDGXKJF-FAXLKDOZSA-N	243.394	4.514	0	10	BJAE	
CC(C)(C)C[C@H]1CCN1CCCC1=CCCCC1	2318583913	VCYPDRANPFEEKH-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C[C@H]1CC12CCC2	2318872338	BBXWODKLESYWFX-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)C[C@H]2CCC(C)(C)C2)c1	2319079242	KIPDHRUOPQUOKA-ZBFHGGJFSA-N	246.394	4.553	0	10	BJAE	
CC(=C[C@H]1CC[C@@H]1C(C)(C)C)[C@H]1CC[C@H](N)CC1	2320311492	MRSWEAMWFGNSRA-FPCVCCKLSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(N)CCC=CCCC2)CC1	2320412950	QHQHKCPKYFQATB-IRXDYDNUSA-N	247.426	4.731	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@H](CC2CC2)C2CC2)CC1	2320778794	JBTATJUOJQIUBK-WBVHZDCISA-N	246.394	4.518	0	10	BJAE	
CC1=CC[C@@H](CNCC[C@@H]2CCC(C)(C)C2)CC1	2321625617	CALBHTKRIZBIIO-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CCCC1CC(O)(c2cc(C)ccc2C(C)C)C1	2327701366	LSQXHNRFCPSDQT-UHFFFAOYSA-N	246.394	4.516	0	10	BJAE	
c1ccc2c(c1)CSc1ccccc1CS2	5948432	GVKYAFCSGQZUNK-UHFFFAOYSA-N	244.384	4.585	0	10	BJAE	
CCC[C@@H](C)CCCCCCCC(C)=O	14593790	NJTTWHKSGLGWQM-CYBMUJFWSA-N	212.377	4.742	0	10	BJAE	biogenic
CC[C@H](N[C@@H](C)CCC(C)C)c1cccs1	19991963	ASJNPGSSFPAMIF-STQMWFEESA-N	239.428	4.614	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccc(C(C)(C)C)cc1	21786350	FRDALDFECWRODC-QWHCGFSZSA-N	233.399	4.831	0	10	BJAE	
CCCCC[C@H](C)NC(CCC)CCC	36792271	OXRMHIUXXSOHPE-ZDUSSCGKSA-N	213.409	4.514	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)c1ccc(C)cc1	36792340	QQIDZNHITNBKJW-CABCVRRESA-N	233.399	4.614	0	10	BJAE	
CC(C)(C)C[C@H](NC1CCCC1)c1ccccc1	37128466	KDFMXFLEOPGUKA-INIZCTEOSA-N	245.410	4.696	0	10	BJAE	
CCCNC[C@@](C)(CCC)C[C@@H](C)CCC	71127717	AZYKUAWXMHBJOI-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CCCCCC(C)(C)[C@H]1CC[C@@H](C)CC1=O	82865422	BREOHNSKPWYLCU-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](O)C1CCC(CCC)CC1	83780332	NSILVAAVTQPBCQ-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@]1(CN)CCC[C@H](CC)C1	83782351	HKEKIDZNXIFARP-LSDHHAIUSA-N	225.420	4.502	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CCC[C@H](C)C1	85387923	VXIXPRJFJMYKHH-JQWIXIFHSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(-c2c(C)cccc2Cl)c(C)c1	85389118	FWBPJAQRBZFMPF-UHFFFAOYSA-N	230.738	4.932	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CCCCCC2)CC1	86894432	BKGLKLULMKXLGP-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H](C(C)C)CC1)C(C)C	86945209	LREZCMCZZJVKED-XHSDSOJGSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@@H](C)[C@H](C)CNC(C)(C)C	87953613	SGHHDGXXDPZXMJ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CO)c1ccccc1C	93107261	BDCHKQQWWJOUAA-CVEARBPZSA-N	248.410	4.677	0	10	BJAE	
CC(C)(C)CC[C@H]1C[C@@H](C(C)(C)C)CCC1=O	103937279	UEMIMDMAZKOTPA-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCCC[C@](CC)(CNCC(C)C)CC(C)C	104154592	BJHKVQLTTJIPKH-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CC[C@H](N)CC[C@@H](C)c1ccc(C(C)(C)C)cc1	107537511	STMUBHCZHWGYTD-CJNGLKHVSA-N	247.426	4.605	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1c(C)cc(C)cc1C	109786893	FUJZLINWJBMNRE-WBVHZDCISA-N	248.410	4.862	0	10	BJAE	
CC[C@H](N[C@H](CC)c1ccco1)C1CCCCC1	109951490	PLPGOLIGAWFUKQ-LSDHHAIUSA-N	249.398	4.679	0	10	BJAE	
CCC(CC)[C@H](NC)c1ccc(C2CCC2)cc1	128808167	QGBOTEMNWPXCOZ-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](Nc1ccc(F)cc1)c1cccc(F)c1	166406783	DTUDQCJMNHYTRB-HNNXBMFYSA-N	247.288	4.528	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1cc(C)c(C)cc1C	168628474	XRGZTKJGRCRPIM-NVXWUHKLSA-N	247.426	4.828	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCC(C)(C)C[C@@H]1C	212545871	QSYUBISDZJDRTD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1ccc(C)s1	228743164	BEORJDNPCHWMPZ-OLZOCXBDSA-N	239.428	4.663	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@@H](N)c1ccccc1	229072161	DVEHPLZSHMDCRF-HLLBOEOZSA-N	247.426	4.929	0	10	BJAE	
CN[C@H](CC1CCCCCC1)c1ccccc1C	229432284	MMVCTPQGXOCNGJ-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CC1(C(=O)CCCc2ccccc2)CCCCC1	232810729	GXXDYBZXASUICI-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)[C@H](CC)c1ccccc1	253043969	NRNRSXRWNDVWLX-USXIJHARSA-N	247.426	4.595	0	10	BJAE	
C[C@@H]1CC[C@@H](c2cccc3c2NCCC3)C[C@H]1C	300117503	UVXFNWLPSRPJLZ-UMVBOHGHSA-N	243.394	4.584	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)C(CC)CC	300905944	JLEAZSBMLQXRND-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc(C)c1Cl	300953630	ZYUZCMYQNJWPPN-LLVKDONJSA-N	225.763	4.639	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)c1cccs1	300978155	TUJNBKQSOUWTKA-JSGCOSHPSA-N	239.428	4.615	0	10	BJAE	
Cc1cccc(N[C@@H](C)c2ccccc2)c1Cl	302292341	KUOOKGROPHGJNS-LBPRGKRZSA-N	245.753	4.822	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1ccc(CC)c(CC)c1	305948684	CLNLWCSGSUOENW-GUYCJALGSA-N	247.426	4.638	0	10	BJAE	
CSc1ccc2scc(Cl)c2c1S	306582770	PGISKOFUXDAESV-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C1CCC(C)CC1	308014971	FCGNHSXGBQZODE-QDIHITRGSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CCC(C)(C)C	308036295	UMIQBKHGFCBJRB-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CCC1CC1)NCC	308044894	FSOMSQPCGYAWTG-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]([C@@H](CCC)CC(C)C)[C@H](C)CC	308051389	MDRNVDZPWKPLKN-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC1(CNc2c(Cl)cccc2Cl)CCC1	308981327	KLUGZKAGRGASAS-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CCN[C@@H](CCCCC1CCCCC1)C1CC1	310064630	OVUUWODCXKASCN-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@H](N)C2CCCCCCC2)CCC1	310255026	OZJZGVDBPAHNSH-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2CCC[C@H](C)C2)CC1	310388325	IISZFJLKCHTNBG-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc2c3c([nH]c12)C1(CCCCC1)CC3	313029121	HLNCDIMDQCYLJD-UHFFFAOYSA-N	239.362	4.624	0	10	BJAE	
CCCCCCN[C@@H]1CCCC12CCCCC2	313041119	PZEDJZWLTMODLP-OAHLLOKOSA-N	237.431	4.659	0	10	BJAE	
CCC[C@@H](NCCCC(C)(C)C)c1ccccc1	313267582	UJOGHSUCGBHDRR-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CCCCCC[C@@H](N)c1cc(C)ccc1Cl	313406492	VCXSKFAWPTWVER-CQSZACIVSA-N	239.790	4.619	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	314709404	SPKBYKCBRWUJJB-YXMPFFBPSA-N	249.785	4.577	0	10	BJAE	
CCCNC[C@]1(C(CC)CC)CCC[C@H](C)C1	317438403	XMVRSMBGEHJZGO-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2C=CCCC2)CCCC[C@H]1C	317893693	IKMZSOUMXKRSPU-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CCC(N)([C@H](C)[C@H](C)CC)CC1	320297846	DLMDDDHTEUEIMY-WXLSXGNJSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](NC[C@@H]1CC(C)=C[C@H](C)C1)C1CCC1	324628147	DZRQYYOIBCMVBT-QRTARXTBSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@H](CCC)CC1CCC(C)CC1	379901380	HQQPRLBNZGJWOL-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)c1ccccc1C	383130651	CXFILEDYHMPLBX-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)C1CCCCC1	383577392	LEVVNIFHUYDPHB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCC[C@@H](C)c1ccccc1)C(C)C	384843003	ZZIDPUITAMPSGE-WBVHZDCISA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](CC)C1CCCC1	387560425	XMBWFGJJZMQQOZ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)CCN[C@@H]1CCCC[C@H]1C(C)(C)C	394405259	KRCAQSPAFBFHNU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](NCC1(C)CCCCCC1)c1ccccc1	394597426	BPUULEGQACPXGC-OAHLLOKOSA-N	245.410	4.698	0	10	BJAE	
C[C@H]([C@@H](N)CC1CCC(C)(C)CC1)C(C)(C)C	399130840	OSBWSAPEDDEQDA-OCCSQVGLSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)[C@@H](C)C(C)C	688367065	DHTVZYLYLCUWJF-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1Nc1cccc(C2CC2)c1	690073251	AKQUYQMIWFRSBY-IIYDPXPESA-N	243.394	4.801	0	10	BJAE	
CC1(C)CC[C@H](Nc2ccc(C3CC3)cc2)C1	690078498	HRVNYPSAMIXJMO-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H](Nc1ccc(C2CCC2)cc1)C(C)C	690152127	BARNSSBWKJIFFF-MRXNPFEDSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@@](CC)(CCC(C)(C)CC)C(=O)O	696805588	AIDOZZBRWUKRKN-HNNXBMFYSA-N	242.403	4.874	0	10	BJAE	
C[C@@H](CC1(N)C[C@H]2CC[C@@H](C2)C1)C1CCCCC1	697735003	QYOMNRKBXAKCCR-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(C(=O)[C@H]2C[C@H]2C(C)(C)C)cc1	699797932	ILGAJPYPPUWOSP-LSDHHAIUSA-N	244.378	4.504	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@H]1CCCC12CC2	706297785	BDDWNIJGGFZWMS-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C1CCC(CC[C@@H]2CCN[C@H]3CCCC[C@H]32)CC1	709026253	ZNBFPNFAYWIFDQ-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC[C@](O)(C[C@@H](C)CC(C)(C)C)c1ccccc1	709070557	GLTYIHRICTWGFS-YOEHRIQHSA-N	248.410	4.747	0	10	BJAE	
C[C@H](CN[C@]1(C)CCCC[C@@H]1C)CC(C)(C)C	709099734	WTSQMQBTRPTNPZ-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(O)CCCC12CCC2	709133115	YIPIZUKFLPPXQL-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H](C(C)C)C2)cs1	710757033	BOTXGALJXJYRDA-QWHCGFSZSA-N	237.412	4.683	0	10	BJAE	
CC[C@@H](C[C@@H](N)c1sccc1C)C(C)(C)C	711212903	XARMOXCBBWUACW-NWDGAFQWSA-N	239.428	4.519	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CC(C)(C)CC[C@H]1C	717535610	VBQTXAABTRBVCH-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
CC(C)=C(C)CCc1cccc(C(C)C)c1O	718576326	UBPISOAAYFIBGT-UHFFFAOYSA-N	232.367	4.805	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)(C)C)C1(C)CCC1	720706797	GJVKBFSFFYWWFU-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC/C=C/c1ccccc1	721727529	VIUPECOPZIHUCC-LRFDDAOPSA-N	245.410	4.634	0	10	BJAE	
CC1=CCC[C@H](C)C2=C(C1)CC(C)(C)C2	936069376	CXGSNSSJAGLQTG-LBPRGKRZSA-N	204.357	4.869	0	10	BJAE	in-vitro
C[C@H](NC1CCC2(CCC2)CC1)C1CCCCC1	1560895124	GBQOUDKFOZFZQI-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCN(CCC2CCCC2)c2ccccc21	1616097957	CDFSRLHFUXROHF-CQSZACIVSA-N	243.394	4.581	0	10	BJAE	
C[C@@H]1CCN(CCCC(C)(C)C)c2ccccc21	1642166978	CVAJDDIQUSGGAB-CQSZACIVSA-N	245.410	4.827	0	10	BJAE	
CC[C@@H](CC=C(C)CCCC(C)C)[C@@H](C)O	1900837383	BLRAIVVNRUUNLO-CABCVRRESA-N	226.404	4.556	0	10	BJAE	
CC=CC[C@@H](CC[C@H](C)CCCC)NCC	1900848410	KFWYBILETPICEC-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)CCCC(C)C	1905375654	YMWAXRUDLHWWJC-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@H](CC)CCC	1905382383	OOJXWHLYLXKLTH-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CC2(CCCC2)C1	1912720158	CFXNGWXLDNMZRH-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCNC[C@@]1(CCCCCC(C)C)C=CCC1	1916362721	XGOHTSASOGZALC-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc([C@](C)(O)[C@@H](C)CCC(C)C)c(C)c1	1919920680	RVUABBJUXJWXMA-DOTOQJQBSA-N	248.410	4.583	0	10	BJAE	
CCC1CC(CCC(C)C)(CNC(C)(C)C)C1	1921203836	NOTFJSLGTSXIEX-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
COCC1(CC[C@H]2C=CCCCC2)CCCC1	1925814848	PUTWGFBNOJTFOW-HNNXBMFYSA-N	236.399	4.720	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1ccc(Cl)s1	1927981042	VDJLTOSFDJJTEN-SKDRFNHKSA-N	246.803	4.507	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCCC1(C)CC1	1935941670	WJGSFYDBEPMSAP-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H](CCC)CCC1(C)CCCCC1	1940416831	UAVICVHBFFTILT-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC1(C)CCC(O)(CCC[C@H]2CC2(C)C)CC1	1940871285	BFDCNFWKGUDXLT-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@@](C)(F)c1cccc(N)c1)C(C)(C)C	1940980267	PUNBCSKDNFNSFY-XHDPSFHLSA-N	237.362	4.526	0	10	BJAE	
Cc1ccc(C)c(OCCCCCC2CC2)c1	1941590518	CBLVDCYRXGBCDP-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
C[C@@H](C[C@H](N)CC1CCC=CCC1)C(C)(C)C	1941795090	GGDJULSCDXBBIE-ZFWWWQNUSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CC1CCC=CCC1	1941811352	DKEFPLXFEZZOMT-HZPDHXFCSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C1(C)CC(C)C1	1941980797	WRPVWOCOJFUBGV-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)([C@H](C)CCC(C)C)C1	1942659190	RCGTXCFXTDAZQA-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)[C@@H](C)CCC(C)C	1942663745	VAKBGHNJGWGJDY-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](C(C)(C)C)C(C)(C)C1CCCCC1	1944630525	DJPAUVXIDABREN-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@]1(N)CCCC(C)(C)CC1	1944846117	MQFHBFOTMSSMIY-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)[C@@H](C)CC(C)C)C1	1948328929	XLKHVDRLHIAIRA-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@H](C)C1CC1	1949073912	FJYGACIBZHIVCL-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC2(CC2)C1)CC(C)(C)C	1950261984	GPDFVTQHKFDFOZ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CCC[C@@H](C)CC1	1950929590	IIQROBJWNPVXID-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCC=CC[C@H](C)c1cc(F)ccc1OCC	1951308858	PHBFOEQXJBRRJV-LBPRGKRZSA-N	236.330	4.684	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CC[C@H](C(C)C)C1	1962882993	VKCCVBGKJTYZNV-JYJNAYRXSA-N	237.431	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@]2(C)C=CCCC2)CC1	1966038533	VDFZHFANRUYHCP-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CC[C@H]3CC[C@H]2C3)CC1	1967765480	MGDBCPBGAJRADF-FYKOZOLNSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCNc1ccccc1C1CCC1	1967847452	WFQYGPUEZNAGKN-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCCc1ccc(N[C@H](C)C2(C)CCC2)cc1	1968407424	BQDBCGFHOILUDG-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
Cc1c(F)cccc1NC1CC2(C1)CC(C)(C)C2	1968648491	OLIDNHMVQXCWFD-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@@H]1CCCC2(CCC2)C1	1970498318	VPIGBHURMMQPOX-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC=C(C)C)CC1	1980984919	YWKTXAZFNORRGE-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
Cc1cc(C)c(C)c(CCC2CC=CC2)c1	1994009354	QCMSULFEZZRBLF-UHFFFAOYSA-N	214.352	4.511	0	10	BJAE	
CCC/C=C/CNc1ccccc1C1(C)CC1	1995874556	OYVNYDNUNVYAOL-VMPITWQZSA-N	229.367	4.506	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@@H]1CC[C@@H](C)C1	1996270935	PRUBMIFHPAZYQW-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCc1cccc(C(=O)C(C)(C)CCC)c1	1996601871	AAXXSASAEKLUDV-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
C[C@@]1(C(=O)c2sccc2C2CC2)CC=CCC1	1997599083	HBKSBIGUUIXWAY-OAHLLOKOSA-N	246.375	4.555	0	10	BJAE	
CC1(C)CCC[C@H](n2ccc3ccccc32)C1	2000096482	JESDVBFEQPVAPU-AWEZNQCLSA-N	227.351	4.783	0	10	BJAE	
CCN[C@H](CCCC1CC1)C(CC)(CC)CC	2000375567	DCGFPLWAYSJALJ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)C[C@H]1CC12CCCCC2	2001257480	XEVMLKNIRYSGCR-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC(=O)CC1[C@H]2CCCCC[C@H]12	2002221700	RRQILVAXQZSDDC-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(C2CC(CC)C2)CC1	2002305779	ICGZDLQMOIBELM-GRAKBVBRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H]1CCCCCCCC1=O	2003070242	KEKQRTAGLWQWFO-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC(C[C@@](C)(O)C2(C)CCC2)CC1	2004841798	ZUXLSMCGCPXXKI-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCCC[C@H]1Nc1ccc(CF)cc1	2007030018	ZPJQUFKYJVNJIY-CQSZACIVSA-N	235.346	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H]1CCC[C@H]1C(C)C	2007622621	NLCXNELSKRWUCW-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CCC[C@](O)(C=C2CCCCC2)CC1	2007925041	IBGCBOPWFJVQRP-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C1=CC[C@@H](C)CC1	2010613466	SIPWWAFRVSAAJR-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H](N)c2cccs2)CC1	2010712979	KTHBFTMZRRGXCL-TZMCWYRMSA-N	249.423	4.521	0	10	BJAE	
CCC(CC)C[C@@H](N)C1=CC[C@H](C(C)C)CC1	2010749923	SMEDKZCGVILTOV-GOEBONIOSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C1=CC[C@H](C(C)C)CC1	2010768680	KNKVKXFHXMGFPG-DZGCQCFKSA-N	237.431	4.523	0	10	BJAE	
C[C@H](CC(=O)C12CCCC1CCC2)C(C)(C)C	2012137419	UFHBKVXCLBXBIV-VEAWUBTESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1CCCC(C)=C1C	2013270097	FNUVLQUNEIVOOA-HOTGVXAUSA-N	237.431	4.680	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@@H](C)C(C)C)CCCC1	2015274895	MAKHCHDEHDSZEJ-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CCC1(C[C@](C)(O)[C@@H]2CCC[C@H](C)C2)CCC1	2015589722	YOCBOBJKQISQBX-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](N)C2(C)CC(C)(C)C2)CCC1	2015589760	ZEYBKHZYHKMSNB-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC1(N)CCCCCCCCC1	2016469264	WZVFRMOTNBGIIT-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CC(C)C1(CC(=O)[C@H](C)C2CCCC2)CCC1	2017124762	IHDZQPCGRPFLAE-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](C)(CNCC)CC1(C(C)C)CCC1	2017143898	AFQINGUXKBCIGY-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(C[C@]2(O)CC[C@H](CC)C2)CC1	2017649474	WIBVBKZQSGFJAZ-GRAKBVBRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)C[C@H](C)C(C)C)CC1	2017662017	HEDZQYBSOQWXKC-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)CCC2CC2)CC1	2017776878	VVVOALLGEFZUDM-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CCCC1(CC2(O)CCCCCCCC2)CC1	2018971098	WCFCCEXJDWFCFR-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CCCC1(C[C@@H]2CCCC(C)(C)[C@@H]2N)CCC1	2020365579	XPYBRDMBYUASAJ-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCN(CCC=C(C)C)C1CCCCCC1	2020501890	OTJQKJPGMVUZIA-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CCN(CC(C)(C)C(C)C)[C@@H]1CCCC1(C)C	2022054014	KZQBUDLLNOZRBQ-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
C[C@@H](CC[C@]1(C)CNC(C)(C)C1)CC(C)(C)C	2022140935	JCHCSPDIGCTLAO-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@H]1C[C@@H]1C1CCCCC1	2022558937	AIVZWNNSQDNEMR-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCCCC(C)(F)F)[C@@H](C)CC	2023294880	KYWHFRPQKLVJON-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCCCC(C)(F)F)C1	2023331730	MWGVDCGLCNTQTR-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC(F)(F)CCCC[C@H]1CCCC(C)(C)C1=O	2023354334	YZQBCQSYINLMAV-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCCC2=O)CC(C)(C)C1	2024102153	QCUIMAUOYPJDRC-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)C[C@H]1CCC(C)C	2024122567	IPKMQGPDQVMYGW-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@@H]1C=CCCC1	2026167289	QGGTYDHSGFNRKA-ARFHVFGLSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@@H]1CCC[C@H]1C	2026170736	SAOMMDPPGIXGOG-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC[C@@H]1CC1(C)C)[C@H](O)c1ccccc1	2027833660	QSMPVSGLTUTASG-BMFZPTHFSA-N	246.394	4.573	0	10	BJAE	
CC(C)(C)C1CCC(C2(N)CCC=CCC2)CC1	2028111829	JAPVBGLCAYIWDJ-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1ccccc1C1CC1	2028562965	PTSVUYQXJNFWPA-WMLDXEAASA-N	246.394	4.670	0	10	BJAE	
CCc1ccccc1C(=O)CC1CCC=CCC1	2028873364	YAJINNKWXAFVQQ-UHFFFAOYSA-N	242.362	4.568	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](CC)c1cccc(C)c1	2029966000	FCKJYGONEYVIQF-YOEHRIQHSA-N	247.426	4.862	0	10	BJAE	
C(CNC[C@]12CCCC[C@H]1CCC2)CC1CCC1	2031809170	PQKWKJRJPOODCJ-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
C(CCNC1(C2CCCC2)CCC1)CCC1CC1	2033055304	LFRHSPNIWVIYQK-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C(=O)CC1CC2(CC2)C1)C1CCCCC1	2036762057	XIZDSTGZOJMEMN-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC1CCC=CCC1	2037207098	MUXLUOTXSHTBFZ-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC1CCC([C@H]2c3ccccc3NC[C@@H]2C)CC1	2037223138	HPCJJPKJVBNXEF-VSUJBEPISA-N	243.394	4.658	0	10	BJAE	
CC1(C)CC(CC(=O)[C@@H]2CCC3(CCCC3)C2)C1	2037979139	ICLCDNACXRCTBF-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@H](N)[C@@H]2CCC[C@H](C)CC2)c(C)c1	2039364512	YKTOINZPLPPEDN-XGWLTEMNSA-N	245.410	4.520	0	10	BJAE	
CCN[C@@H](c1ccco1)[C@H]1CCCC(C)(C)CC1	2039379562	ASASGNMOILIHSB-DZGCQCFKSA-N	249.398	4.537	0	10	BJAE	
CCC1(C(=O)c2cccc(C3(C)CC3)c2)CCC1	2039725592	ZNKNJRZNAPNCHM-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2040312754	GVDRWCVUUXDGDI-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CCC=Cc1ccccc1	2040725746	KKPQADPOHSOKRD-INIZCTEOSA-N	245.410	4.634	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H]2CCCC23CCC3)CC1	2041378925	HRAKWWZEZFUJDR-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H](C)C1)C1(C)CC=CC1	2042019395	NSTNNZIOGBUISH-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@@]2(C)CC=CCC2)c1	2042023380	AUKVCXFOWSHLIG-SJORKVTESA-N	243.394	4.556	0	10	BJAE	
CC1(C(=O)C2CCC(C(C)(C)C)CC2)CC=CC1	2042090914	GWTSRUMDJCNMIL-UHFFFAOYSA-N	248.410	4.764	0	10	BJAE	
CC(C)NCC1(CCCCCC2CC2)CC=CC1	2042095135	XVPXMJARSFMNJH-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@]2(N)CCCC3(CCC3)C2)C1	2045392464	VCQRGJWYFZIRQG-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCCC(=O)CC(C)(C)c1ccccc1	2045566992	XNVBIRDEGDTAMS-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CCCC[C@H](NCCC)c1ccc([C@@H]2C[C@@H]2C)o1	2045773020	CPCHEYHBPHYIAV-MJBXVCDLSA-N	249.398	4.634	0	10	BJAE	
CC(C)CN(C[C@@H]1CCC[C@H]1C)c1ccccc1	2046578719	HEMYGHSCXYKIKO-CVEARBPZSA-N	245.410	4.585	0	10	BJAE	
CC(C)CC[C@@](N)(C[C@@H]1CC12CCCC2)C1CC1	2047057608	BWKGSQGQLHPOES-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(N)(C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048442319	DHFRQPLUJKQWIV-FICVDOATSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)C1	2049508294	INBMBBURLWDTGS-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CC2CC3(CCC3)C2)C1	2049528416	JEUPYRPPYPJWIP-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H]1CCCCCC[C@@H]1O)c1ccccc1	2049680994	JRXVBJFURFQLKO-OIISXLGYSA-N	246.394	4.512	0	10	BJAE	
CN[C@@H](C[C@@H](C)CCC(C)C)c1ccccc1C	2050460602	KPXKZNGPNZPHBX-YOEHRIQHSA-N	247.426	4.718	0	10	BJAE	
CCN[C@@H](CCCC=C(C)C)c1cccc(C)c1	2050462652	CYKLTHKSRXJIEW-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
C[C@H](Nc1ccc(C2(C)CC2)cc1)C1(C)CCC1	2052347048	ANJDBMYAZZTNPL-ZDUSSCGKSA-N	243.394	4.729	0	10	BJAE	
C[C@@H](NCC1(C)CCCCCCC1)c1ccoc1	2052504085	CEGQLQBVQHCDBT-CQSZACIVSA-N	249.398	4.681	0	10	BJAE	
CC(C)(CN[C@H]1CCCCC12CC2)C1CCCC1	2053332501	OYLZXAJRMVRHCB-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](NC)[C@@H]2CCCCC23CC3)CCC1	2053412316	OPZKDMOXDWFQPF-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@@](N)(C[C@H]2CC23CCCCC3)CCC1	2055595796	GMQCPSOGPUHKAB-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CCCNC[C@@]1(CCC2(C)CC2)CCCC12CC2	2059177023	GHTREMNMSMZFIT-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccc([C@@](C)(N)CCC2(C)CC2)cc1	2059178398	RVWAUOGFUILWBH-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H]1CC2CCC1CC2	2059259446	PBFUNYJBYXYRIW-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CCc1cc(Cl)c(Cl)c(C(F)(F)F)c1	2060074586	RDSTUBPIILMAFC-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
CC[C@@H]1CC=C(C2(O)CC3(CCCCC3)C2)CC1	2061086491	ZDDUZMZCSOIHNQ-CQSZACIVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)C[C@@H](C)CC(C)(C)C2)CC1	2061114482	YSAUZBYOPBXODD-VBQJREDUSA-N	249.442	4.667	0	10	BJAE	
CCc1ccccc1OCC1CC(=C2CCC2)C1	2061708142	ZMQMXACBTCKYSM-UHFFFAOYSA-N	242.362	4.518	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)(C)C)C1CC(=C2CC2)C1	2061737249	PFICOQVBZVYLOG-BLLLJJGKSA-N	249.442	4.537	0	10	BJAE	
CCC1(C(=O)CC2CC3(C2)CC(C)(C)C3)CCC1	2063206943	AJRDLNGBBKTVGI-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C1CCC2(CCC2)N([C@@H]2CCC3(CCCC3)C2)C1	2063285117	UVKJALADHSPFOY-OAHLLOKOSA-N	247.426	4.508	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C23CCCC2CCC3)C1	2063829666	HSNDHTLFUCJSTA-QSFKDOLUSA-N	249.442	4.501	0	10	BJAE	
CC1(CNC2CC3(C2)CC3(C)C)CCCCCC1	2064111266	NGQSKMIKWHYPIG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CC23CCC(CC2)C3)C1	2065285785	JMVQKEUDWMAHFT-RDAFDQFTSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1CCCC[C@]1(CN)CC12CCC(CC1)CC2	2065333189	PKHGVFNYPDHJMN-ZGRYLRDCSA-N	249.442	4.502	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)[C@H]2CCC2(C)C)CC1	2068239556	NSOKTSAOSFJATO-KFWWJZLASA-N	249.442	4.523	0	10	BJAE	
CC(C)c1ccccc1OCC1C[C@H]2CC[C@@H]2C1	2068699705	SWYYPMNFJGCPET-HUUCEWRRSA-N	244.378	4.625	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1C[C@H]2CC[C@@H]2C1	2068800931	MJCNZJSKMOJSLB-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CC(=O)[C@H]2[C@H]3CCCCC[C@H]32)CCC1	2069285311	QIGRNVACXUTMIA-MIFYACCESA-N	248.410	4.742	0	10	BJAE	
CC(C)CC1([C@H](O)c2ccccc2C(C)C)CC1	2069512908	HOYMKWKWTLRRFN-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC[C@@H]1C1CCC1	2071783024	OJLGMMSDWNJGAH-CVEARBPZSA-N	243.394	4.548	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CC[C@@H]1C1CCC1	2071823710	BAODAYAJLBUOFA-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CCc1occc1C(=O)CC1(C(C)(C)C)CCC1	2071926039	LEGYBBVZISEWBS-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C2(C(C)(C)C)CCC2)c1	2071933092	JQTFFYXRHLXKHU-HNNXBMFYSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)c1ccccc1C1CCC1	2072093717	GECASYADJUVWCY-TZMCWYRMSA-N	242.362	4.573	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CCC23CCC3)CC1	2072796728	RIBHQTALNWMSKY-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(CN)CCC=CCC2)CC1	2072798669	LTTIFNVDCSUPEQ-WKILWMFISA-N	249.442	4.668	0	10	BJAE	
CCCC1CCC(C[C@]2(CN)CC=CCC2)CC1	2072808709	IAHIWNHGSOXRDJ-JCYILVPMSA-N	249.442	4.668	0	10	BJAE	
CCCC1CCC(C=C2CC[C@@H](CCN)C2)CC1	2072819896	UPHRGVZHYPQQAD-GPANFISMSA-N	249.442	4.668	0	10	BJAE	
CC1(C[C@H]2CCN[C@@H](C3CCC3)C2)CCCCC1	2073771665	IVFPFPHEPYTCEW-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC(=O)c2ccc(C(C)(C)C)cc2)CC1	2074594418	MFFDPARBHVVMLF-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCCC1(CC2(N)CC3(CCCCCC3)C2)CC1	2074636254	KDSFNMHDFGGLGR-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CC1CCC(N(C)[C@@H]2CCCC3(CCC3)C2)CC1	2075119811	QLDLNGMOHRKUER-UYSNPLJNSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1ccc(C2CCC2)cc1	2079471904	BXMYGMIZWLLULR-JKSUJKDBSA-N	242.362	4.573	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079628898	PJZMPWFRETWJIK-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@H]2C[C@@H]2C2CCCCCC2)C1	2079661951	RYPRPCIMHSTCSS-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@H](N)[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079782892	YGLOLBYFRAKMCM-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H]1C[C@H]1C(C)C	2079850240	DMXKTJCPBIBXHZ-ZBFHGGJFSA-N	244.378	4.504	0	10	BJAE	
CC1CCC(CC=C2CCC2)(CNC(C)C)CC1	2081677812	PXGMIXGOIHYPOZ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCCC[C@H]1CC	2081948043	ZCXRWDVDSQEPQT-IUODEOHRSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CC[C@@H]3CCC[C@@H]3N2)C1	2082982775	NKUVBLJXVHBNCM-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
FC(F)CCCCC[C@H]1C=CCCC1	2209996341	GJLMFXUZXMOEQX-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
CCC(CC)C[C@](C)(CC)CN[C@H](C)CC	2212584052	LSYWEGTVSITZIV-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CN[C@H](CCCCCCCC1CC1)C(C)(C)C	2213575917	KWFLRHVUPOPBAB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCCN1CCCCCCC1CC1	2213580308	YDRJYCSHRHCAGI-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CSc1cccc(C/C=C/c2ccccc2)c1	2213822835	LWLWQJMTZTZRQM-WEVVVXLNSA-N	240.371	4.664	0	10	BJAE	
Cc1cc2ccccc2n1CCCCC1CC1	2214575642	ZYHMNWYZBZGJLB-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCC1CCC([C@@H](N)CCCCC2CC2)CC1	2214579522	HAGYSPGSVBNPPF-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1CC)C(C)(C)C	2215246447	IXOJRENDXIZPQV-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CC1(C)CC(C)(C)C1	2215428317	BLAOSUSOKWRGTN-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@]1(O)CCC[C@@H](C(C)(C)C)C1	2216255710	FCJQAQGOIDJBLC-CKAOXQASSA-N	238.415	4.700	0	10	BJAE	
CCCC(CCC)[C@H](CCCCC(F)F)NC	2216415937	ZTUNMPUNAYVDEV-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@]1(CNC2CCC2)CCCC[C@H]1C	2217127485	WSBSHNLCVXOULM-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NCC(C)(C)C[C@H]1CCC[C@@H](C)C1	2217146014	VLBUYIKUWHFNOJ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)C1CC2(CC2)C1	2218733455	VXOGJKXRNSFNTB-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCCCCC1CC1	2218756649	YNJNBMDDOLMWQF-ACHSLPGTSA-N	249.442	4.610	0	10	BJAE	
CCCC(CCC)[C@H](O)CC=Cc1ccccc1	2219070172	IMTCSQIUQAUVRZ-QGZVFWFLSA-N	246.394	4.667	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)CC2(C)CC3(CCC3)C2)C1	2221015145	VKVWHNWFUDXQEQ-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@@H]1CC=C(C)CC1)c1cccc(C)c1	2221660578	BMGBGWXPWYSEPX-SJORKVTESA-N	243.394	4.535	0	10	BJAE	
CN(CC=C1CCC1)[C@@H]1CCC[C@H](C(C)(C)C)C1	2222268754	QYYRHIQJFDDWJN-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1[C@H]2CCC[C@H]21	2223109404	NGSWJVMQODDJJR-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]([C@@H](C)c1ccc(C)cc1)C(C)(C)CC	2223967918	HZMUVBBIYOYKPA-HOCLYGCPSA-N	247.426	4.513	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1sc(C)c(C)c1C	2244787012	YOTGMHKPUDMPKD-GFCCVEGCSA-N	238.396	4.682	0	10	BJAE	
CCCC[C@@H](C)NCC[C@@H]1CCCCC12CC2	2246641822	HVUUGDMAVILYEZ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CCCC[C@H]1C[C@@H]1C)NCC	2247166153	ORJSPXMANXKCQQ-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CC1=CCCCC1	2247453171	AJRWBTSEFCJWHQ-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H](C)[C@H]1CC12CCC2	2248264536	FOSLYVPWSGKSSU-DGCLKSJQSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1(C)CC2(CCC2)C1	2250381069	KQUXOHWSDAESGX-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)CCCCN	2250469982	VEYGKFFIKKNSOE-CVEARBPZSA-N	241.463	4.994	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@H](C)C1CCC1	2250489490	ZIKWDVJNVODUKO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2CCC(C)(C)C2=O)C1	2251712742	OMFJFJSWGCRQMY-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1CC(CCC(=O)C[C@H]2CCC[C@H](C)C2)C1	2251761741	UWPFGPWDKHSUSL-LQULJDIASA-N	236.399	4.598	0	10	BJAE	
C1=C(CC2C3CC4CC(C3)CC2C4)CCCC1	2252678042	OZJJCJBQESRNPZ-UHFFFAOYSA-N	230.395	4.949	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)C2CC(=C3CC3)C2)C1	2253934152	GGWPYMBVKDAODR-QWHCGFSZSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H](N)CCCCC12CC3CC(CC(C3)C1)C2	2253980558	FGKHEAFEZHHGRQ-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1=CCCCC1)C1CC2(CCCCC2)C1	2255062427	HQFXLRWVEBFAFK-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
FC1(F)C[C@H]1c1ccc(CC2=CCCCC2)cc1	2255129532	NEGCRJAJFHAILZ-HNNXBMFYSA-N	248.316	4.852	0	10	BJAE	
Cc1cc(N[C@@H](C)[C@@H]2CCC2(C)C)cc(C)c1C	2258233120	KALKCMMRQFHZMC-HOCLYGCPSA-N	245.410	4.848	0	10	BJAE	
CC(C)(C)C1CCC(N[C@]23CCC[C@H]2CC3)CC1	2260538277	HKMADWNGTKCDBF-INTUILBWSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@@]12CCC[C@@H]1CC2	2260598851	COJPBVJFXQPMAH-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@@]12CCC[C@@H]1CC2	2298717167	RHLAUBWTZMOCFW-LZWOXQAQSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)[C@@H](C)CC2CCC2)CC1	2298895238	FHGQSYBTKAKCSA-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@H](C)CC1CCC1	2298927940	XOWQIBRZTIGIBT-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CCCC[C@H]1CC	2300680814	IEPUFEPDEJPCNK-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@H](O)C[C@H]1CCCC12CC2	2300683726	MQNSIPACKSYLOQ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@H]1CCC(C)(C)C[C@@H]1CN	2300701454	RLDNZZDFGQMFME-LSDHHAIUSA-N	239.447	4.604	0	10	BJAE	
CCC(CC)CCC1(N)CC2(CCCCC2)C1	2300704704	VKDZXWUJYWERDP-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC=CC[C@H](NCCC)C1CCC(C)(C)CC1	2300871697	IFYXUEDOVANQDQ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CC[C@@H](C)C1	2300881572	SUTKPMWAJHFTGZ-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)CC1CCCCCC1	2301243774	FXTYUTWQNIRGKV-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C(CC)CC)cc1	2302237194	CSZUERKTSUFPKY-ZDUSSCGKSA-N	233.399	4.651	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C[C@H]1CCC[C@@H](C)C1	2302613375	PYBDKDVEBXHFAG-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)c1ccc(C2CC2)s1	2302615195	JWZWMLLMAPPVFF-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C[C@@H]1CCC[C@H]1N	2302625222	QLSUDYJMQUTMQN-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H](CC)CC1(O)CC(C)(C)C(C)(C)C1	2307845989	SKHDBBKNLVVAOG-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCCC[C@H]1CC	2307847551	XLNGAORMIHQJMI-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1CC12CCCCC2	2307908296	PASQYBGODXNRCV-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@@]23CCC[C@@H]2C3)CC1	2310894375	FQZWJKLCADDGKT-NCOADZHNSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2311610506	UAKFQYQOMOFREV-QKPAOTATSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H]1C[C@H]1C1CCC1	2311745873	KLUJAQOOKXJDPW-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CC1)N1CCC[C@H]1C1CCCCCC1	2313605216	WSKSXMUNNYLEGY-YOEHRIQHSA-N	249.442	4.610	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H](C)CC1CCC1	2313692518	PGDVVXHMNCZOQH-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CCc1cc([C@@H](O)C[C@@H](C)C(C)(C)C)ccc1C	2314702813	QPQYNJDFWAKNRL-CJNGLKHVSA-N	248.410	4.663	0	10	BJAE	
Cc1cc(O)cc(C)c1N[C@H](C)CCCC(C)C	2315956564	OKSJLKFLZWDCQO-CQSZACIVSA-N	249.398	4.636	0	10	BJAE	
CCC(CC)CC[C@@H](NC)c1cc(C)ccc1C	2316247878	JJYARNQOEGHEEO-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
N[C@H](CCCC1CC1)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316886912	ZBHATKUFLWIENI-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1CC2CCC1CC2	2316997996	FVKKYOKCPYRAND-UYSNPLJNSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)C[C@H]2C[C@H]1CC21CC1	2317117897	DPQOFVYWZXJXOE-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
C[C@@]1([C@@H](N)CCCC2=CCCCC2)C=CCCC1	2318589888	VKUNRMSSVQUSLY-DLBZAZTESA-N	247.426	4.731	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CNCCCC1=CCCCC1	2318594482	GKHYVEOOHHTGPA-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)c(NCCCC[C@@H]2C[C@H]2C)c(C)c1	2318882316	ZQTUNKDJFCIMKF-CZUORRHYSA-N	245.410	4.850	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CCC[C@H]2C[C@@H]2C)NC)CC1	2318938169	HILOZEYMZANDNL-FSDCSDTHSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)C23CCCC2CCC3)C1	2319115152	VXIOFXQHDPAIJY-BOLLXYOYSA-N	249.442	4.501	0	10	BJAE	
CC(=O)[C@H](C)C[C@@H](c1ccccc1)C1CCCC1	2319671293	XPPOEVLUWGGFLW-DYVFJYSZSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H]2CCC(C)=C(C)C2)C1	2320236791	CENICBXDTRSQLL-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@](N)(CC2CCC(C)(C)CC2)CC1	2320263569	OGOVVQVHWAJEAG-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C(C)(C)C2CCC2)CC1	2320405539	BTJMJEIPJVSMJD-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@H](C)[C@@H](C)C(C)C)c1	2320578945	XKMDQJVYUXWYPE-GRDNDAEWSA-N	248.410	4.772	0	10	BJAE	
CC(C)c1cccc(C[C@@H](O)CCC(C)(C)C)c1	2320646228	SXIOTSGTOGPMGY-INIZCTEOSA-N	248.410	4.540	0	10	BJAE	
C[C@H]1CC[C@@H]1CC(=O)c1cccc(C2CCC2)c1	2320659007	VSYZIGFQKOZNLX-GXTWGEPZSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1NCCC(=CCCCCCCC2CC2)[C@H]1C	2321292377	HXOHYRFUESTGBW-GJZGRUSLSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC12CC(C[C@@H](N)C3CCCCC3)(C1)C2	2321642415	OKKRPNMSQMXHHK-KLAILNCOSA-N	249.442	4.501	0	10	BJAE	
CCCCCC(CCCO)CCCCC	5308465	HOTDDWHTXNAQRH-UHFFFAOYSA-N	214.393	4.536	0	10	BJAE	
CCCCCCNCc1ccc2ccccc2c1	21516113	LIQBXSUXSBMLOO-UHFFFAOYSA-N	241.378	4.510	0	10	BJAE	
CCC[C@@H](C)CNc1cc(Cl)ccc1Cl	21519032	HCJOAFWTYKBEMJ-SECBINFHSA-N	246.181	4.842	0	10	BJAE	
CCCN[C@@H](c1ccc(C)c(C)c1)C1CCCC1	35572902	XOWYLEPBHQGEMH-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](CC)CO[C@H](C)c1ccc(N)cc1	40909164	LMEXPEXDAKAJLE-ZIAGYGMSSA-N	249.398	4.563	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@@H]1CC	57218545	CXWYZNJUCCUIRB-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(Cl)c2oc(C3CCCCC3)nc12	62536176	SQADVNBUJIRTPI-UHFFFAOYSA-N	249.741	4.837	0	10	BJAE	
CCCCCCC(=O)c1cc2ccccc2o1	62797237	LIUBABZILQEFQA-UHFFFAOYSA-N	230.307	4.586	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccccc1Cl	70558347	YHJYMISFPONPFF-WCQYABFASA-N	237.774	4.721	0	10	BJAE	
CCc1ccccc1N[C@H]1CCCC[C@@H]1CC	70977652	APEQCOVWQGFLBR-HOCLYGCPSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)[C@@H](C)CC	82562499	PJASZZHNAFEVBP-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
COc1ccc(Nc2ccccc2C(C)C)cc1	82715531	HUYNFRPTFNZZTH-UHFFFAOYSA-N	241.334	4.562	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)CCC(C)(C)C	82816887	RTDRKYZJKAWCBN-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1-c1ccc(N)cc1	84054026	IWUBGHUMHIISJV-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
C[C@H]1C[C@@H](NC(C)(C)CC(C)(C)C)CC[C@H]1C	84985626	VWKAJZGDFIBQMF-RDBSUJKOSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CC(Oc2cccc(Cl)c2)C[C@H](C)C1	85150668	AIZJBQDJPQBEMX-GHMZBOCLSA-N	238.758	4.544	0	10	BJAE	
CC[C@H]1CCC[C@@H](Oc2ccc(C)cc2C)C1	85155090	PALCAKUWLZQRDC-LSDHHAIUSA-N	232.367	4.651	0	10	BJAE	
CC1(C)CCCC[C@@H]1Nc1ccc(Cl)cc1	86842501	GXPWPEXVESFQJK-ZDUSSCGKSA-N	237.774	4.721	0	10	BJAE	
CCCC[C@]1(O)CCCC[C@@H]1C1CCCCC1	87164006	JOWQHNHEEQJFHR-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C1CCC(C)(C)CC1	87943148	RZYDPGYGHQVTDR-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@@H](O)C2CCCCC2)CC1	87960661	FCFDZSQBZQUWHA-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccc2oc(C(=O)C(C)(C)C)cc2c1	88071788	JDTVZBLEPJWURA-UHFFFAOYSA-N	244.334	4.785	0	10	BJAE	
CCC[C@@H](N)c1cc2cccc(C(C)(C)C)c2o1	88074955	NPBKBGFTTFOOMK-CYBMUJFWSA-N	245.366	4.530	0	10	BJAE	
CCCCC1CCC([C@@]2(O)C[C@H]2CCC)CC1	92713237	WJQJPVSWTRKTDU-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](NC(C)C)c1cc(C)cc(C)c1	93074090	YTMVAKOJFFAGAL-INIZCTEOSA-N	233.399	4.533	0	10	BJAE	
CC(C)c1ccc(CC2CCCC2)cc1	95828759	BXYFTGUZOFXSHB-UHFFFAOYSA-N	202.341	4.543	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(CCC)cc1	97467989	VBJJHOPPLVFAID-MRXNPFEDSA-N	233.399	4.609	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccc2ccccc2c1	103944574	HRZXUGXJUHVGCP-ZDUSSCGKSA-N	240.346	4.849	0	10	BJAE	
CC(C)CC[C@H](C)NC1CCC(C(C)C)CC1	109759376	LSVGIWJLELCHFT-FHERZECASA-N	239.447	4.616	0	10	BJAE	
CCCNCCC(C)(C)[C@@H]1CCC[C@H](CC)C1	133907639	TWVLXOXNXIQGNZ-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)c1nc(Cl)c(Cl)cc1Cl	143999402	VTYKIHCTNLQBPE-YFKPBYRVSA-N	238.545	4.555	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C)CC2)cc1	159909632	RQVXTGKKXARLCY-UKPHBRMFSA-N	245.410	4.614	0	10	BJAE	
CCN[C@H](CCCC(C)C)C1CCCCCC1	165891274	RLEUYZNNRIBYBB-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
Clc1ccnc(-c2cccc3ccccc23)c1	196854949	SYAGXYSDCZRKDN-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CCCCCCO/C=C1/CCC(C)=C(C)C1	207477112	PEDOWRJDXHRKNE-QINSGFPZSA-N	222.372	4.988	0	10	BJAE	
CC(C)c1ccc(OC/C(Cl)=C\Cl)cc1	211363706	AOWXWVJQOZCMBW-YRNVUSSQSA-N	245.149	4.508	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1C[C@@H](C)CCC1=O	216359470	PYRJCINRTYRCBL-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C)CC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	222543130	GNTWBPDZZLJZSE-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@H]1CCC[C@@H](CC)C1	227006157	IWIMIGUGLOQQOC-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C[C@H](C)CC	229145646	CAYKUZSARGEDIE-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)C)c1ccc(C)cc1C	229179829	IQRJXVCGYQKRLV-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1	229190894	KBVIAMKMPMYXQR-KCQAQPDRSA-N	238.415	4.844	0	10	BJAE	
CN[C@H](C1=CCCCCC1)C1CCC(C)(C)CC1	234451946	IQYSBRCBEXQSSB-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H]2CNc3ccc(Cl)cc32)C1	235356094	QOJGCZZEESSRGO-SUNKGSAMSA-N	249.785	4.675	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@@H](O)C2=CCCCCCC2)C1	235387197	XZSUMVRMMPZCCW-XKQJLSEDSA-N	248.410	4.620	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CCC[C@H](C(C)C)C1	300316060	NAACOWJIAUJYTC-JYJNAYRXSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@](CC)(CN)CCCC(C)(C)C	300816515	GOWKARFXEPWFHM-OAHLLOKOSA-N	227.436	4.748	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)c1cc2ccccc2o1	305903342	BUZXPZYCCOFSAV-GXTWGEPZSA-N	245.366	4.505	0	10	BJAE	
CCN[C@@H](CC[C@H](C)CC(C)C)c1ccccc1	305994035	UBMUCOHJBHRIHX-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC[C@@H]2C)cc1C	306056873	VQCXMUWUELBZDW-LRDDRELGSA-N	231.383	4.548	0	10	BJAE	
Clc1ccc(Cl)c(CC2=CCCC2)c1	306609457	KIHATDQLTZDXEH-UHFFFAOYSA-N	227.134	4.646	0	10	BJAE	
Cc1cc(Cl)c(Cl)c2ccsc12	307056942	DVNWPJCHPHJCIJ-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1ccc(C)cc1	308101357	FVMFCKXQZDXPAH-HNNXBMFYSA-N	232.367	4.640	0	10	BJAE	
Clc1cccc(O[C@H]2C=CCCCCC2)c1	309134506	AVIJSCRHQCLXQB-ZDUSSCGKSA-N	236.742	4.608	0	10	BJAE	
CCCCCC[C@@H](CC1(CC)CCC1)NC	309334834	JXASKTHWZCLORB-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC1([C@H](N)C[C@@H](C)C2CCCCC2)CC1	310375334	ZMGWIZKAMNGSNX-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cc2cccc(C)c2o1	310611062	BUVRQQLCWUXPPH-IAQYHMDHSA-N	245.366	4.567	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NC(C1CCC1)C1CCC1	310624803	JHOLNFAHIDAVJI-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CNC1CC1)CC1(C)CCCC1	318363670	XBLYJOPUMCFSCA-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)CC/C=C\c1ccccc1	323831161	UFBCGORXKHVNMO-XFFZJAGNSA-N	244.378	4.875	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1cc(C)cs1	379140043	SAVASEXRRXMBAO-QWHCGFSZSA-N	240.412	4.696	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(N)CCC(C)(C)CC2)C1	383600183	QBBREFXBDXKRCE-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H]1CCC[C@@H](C)C1	383966907	YAVDTNMWCQVPBK-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](c1ccccc1)[C@H](C)CC1(C)CCCC1	386099704	JQHPLCNTHPEVNI-GDBMZVCRSA-N	245.410	4.554	0	10	BJAE	
CCCCCCNc1cccc2ccsc12	386242852	PFVBHROLJGKMKM-UHFFFAOYSA-N	233.380	4.894	0	10	BJAE	
CCC[C@@H](NCC[C@@H](C)CC)c1ccccc1	394466923	YGZDHRJJEYATFQ-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@H](C)C(C)(C)C	398904878	JFTUSRISCCBCDU-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@H](C)C(C)(C)C	399215218	RRIICJUOBZXLQI-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
Fc1cc(CCC2=CCCC2)ccc1Cl	401096806	BUFYCWYLEPAAMD-UHFFFAOYSA-N	224.706	4.522	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)C[C@H](C)CC(C)C	401310630	XCDAWTVKXMLNAL-LVQVYYBASA-N	240.431	4.636	0	10	BJAE	
CCC[C@]1(C[C@@H]2CC[C@H]3C[C@@H]3C2)CCCCCN1	403854655	UNXFDZBDMQSHMD-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1Nc1ccc2c(c1)CCCCC2	404626309	CTHDHWTYFGTOKG-MRXNPFEDSA-N	243.394	4.556	0	10	BJAE	
CSc1ccc(NCCC(C)(C)C2CC2)cc1	405949385	FBWQLYRAUROXTI-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CCCC2CCC2)C1	688800828	HUSBRIFPGRYOMA-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CC[C@@]1(C[C@@H]2CC3CCC2CC3)CCCCCN1	691776363	LLWBUJWEHLXEKD-GQGLESIBSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)C(=O)CCC(C)(C)CC	696647594	UPAYIQVFRFOVCB-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC(C)(C)CC	696661019	DCZPDOZWMAOZSK-ZDUSSCGKSA-N	226.404	4.988	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](CCC(C)(C)CC)C1	696783468	ROKFZZXFIUTCEK-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](CCC(C)(C)CC)C1	696783471	ROKFZZXFIUTCEK-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC[C@](C)(C(=O)C2CCCCC2)C1(C)C	699082047	CFKZVCFCVDMZTI-BLLLJJGKSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](CCC1CCCCC1)NC	701253469	SBOZWSRGSOZNJX-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C[C@H]1CCc2ccccc2N1	704834100	IARWTHHERCEZSF-VNQPRFMTSA-N	243.394	4.630	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CCC=C(C)C)CC1	704905837	FUHLSEKPVSHYOG-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CC(=O)c1ccc(S[C@@H]2CCCC[C@@H]2C)cc1	704910753	VYPRUZLTMUVYCB-XHDPSFHLSA-N	248.391	4.560	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1CCCC12CC2	706256113	CTUOUUZCNJOCAP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C[C@@H](O)CCCC1CCC1)C(C)(C)C	711050144	HANGDRQYPDUAKK-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1C[C@@H]2CCCC[C@@H]21	712392896	WBJLGVLGQCZBBW-CORIIIEPSA-N	249.785	4.639	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CC(C)(C)CC[C@H]1C	713045387	RYDLVGLAOPXAEL-XGUBFFRZSA-N	239.447	4.616	0	10	BJAE	
C=C/C=C\CCN[C@@H](CC)c1cccc(Cl)c1	713505843	YZQHNMLUMIGXIM-YVACAVLKSA-N	249.785	4.513	0	10	BJAE	
CC(C)c1ccccc1NC[C@@]1(C)CC1(C)C	717122131	JRJRQYMDEKKPJG-MRXNPFEDSA-N	231.383	4.658	0	10	BJAE	
CCCCCC[C@H](O)c1cscc1C(F)F	720229569	DDJJNIGTYAZMKL-NSHDSACASA-N	248.338	4.690	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@H]2CCC[C@H]21	722078891	PIKMQMROYAIKEK-BZUAXINKSA-N	243.394	4.548	0	10	BJAE	
Cc1cccc([C@@H](C)S[C@@H](C)C(C)C)c1	1640954494	ASAATYLICRBTGY-QWHCGFSZSA-N	222.397	4.834	0	10	BJAE	
C[C@@H]1CC[C@@H](N[C@H]2CCCCC23CCCCC3)C1	1875414351	LPUNBGLVICPPKO-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCCC1(C[C@](C)(O)CCCC(C)C)CC1	1900580467	NMABFMLSRRUCOA-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)[C@H](N)CC=C(C)CCCC(C)C	1900892965	OBGXVWIGUBWAKS-HUUCEWRRSA-N	225.420	4.523	0	10	BJAE	
CC(=CCl)C[C@H]1CCCCCCCCC1=O	1913388582	GMAJQBBHESEYRA-CYBMUJFWSA-N	242.790	4.839	0	10	BJAE	
CCCC[C@](O)(CC)c1cccc2sccc12	1919493484	PFYREAURDHBRML-OAHLLOKOSA-N	248.391	4.689	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCC(C)(C)C1CC1	1919936583	BXYLABQDPNBBJL-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCC1(CNC2C[C@H]3CCC[C@H](C2)C3)CCC1	1923487984	FVLDEVYISKBHJW-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
FC(F)c1ccc(C[C@@H]2C=CCCCC2)cc1	1925869716	LGLJGQDVBFJOAJ-GFCCVEGCSA-N	236.305	4.913	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC[C@@H]1C=CCCCC1	1925877511	QOWXQCCXMLEUCC-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H](C)C1CCCCC1	1926137419	HALWVQSUPGPCMQ-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@@H]1CCCC[C@@H]1CC	1926371816	JNWNHWYRIXNGFS-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@@H](C)CC(C)C	1926385696	XMYKMDJFWNRPJZ-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)C[C@@H](O)CCC=Cc1ccccc1	1926392657	GRUBAXHTUQQHRO-KRWDZBQOSA-N	246.394	4.667	0	10	BJAE	
CCC[C@@H](C(=O)c1ccsc1Cl)C(C)C	1927989097	YTRJEHJHMLKRQX-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
CC(C)(C)CCCNC1(C)CCCCCC1	1938015757	LAAIFXJAPXBMON-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC(C)(CC)CC)NCCC	1939112240	PSQNSLXANPIYRW-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CC[C@@](N)(CC1(C)CCCCC1)[C@H]1CC1(C)C	1940409015	MWXQTMPPMKKBHI-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@@H](NCC)[C@H](C)CCC(C)C)CC1	1942653847	VGNRGOUCMBXTOL-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](C)(F)c1cccc(N)c1	1942657202	DDGZLCLOGYBMJR-DOMZBBRYSA-N	237.362	4.526	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1C[C@H](C(C)C)CCC1=O	1942664543	XRRKOBXCYORIBW-RRFJBIMHSA-N	238.415	4.700	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CCCC12CCCC2	1942664668	UGPFEMJDTASEMM-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)C[C@@H]1CCC[C@H]1C	1944890092	GDKSLLFJWWEORQ-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCCCC1(F)F	1947289903	PLEAYLYGXLNSBW-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1CC12CCCC2	1948072023	OWVVXEOEFWXUFC-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC[C@H](CC)CC(F)F)NCC	1948428255	FCNIUBVHIFZOCF-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCC[C@H](C)N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	1948594629	AJALVYPLHLWWQA-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H](CC)C1CCCCC1	1950099680	HPQUSCGRBJFTSW-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@]1(CO)CCCC(C)(C)CC1	1950911442	ONDCWCRCLQJASE-INIZCTEOSA-N	240.431	4.926	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)[C@@H]1CCCC(C)(C)CC1	1950918011	ICBMAXWDKHHKAU-BYNSBNAKSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)c1cccc(-c2sccc2C=O)c1	1951241460	BPCWMTQBZLVQCJ-UHFFFAOYSA-N	244.359	4.525	0	10	BJAE	
Clc1sccc1N[C@@H]1CCCCC12CC2	1961997371	VAUFNEXKNRKWBG-SNVBAGLBSA-N	241.787	4.536	0	10	BJAE	
CCC(C)(C)CCN1CCCC[C@@H]1c1ccco1	1964148536	MMUMEDNOWFWAJW-CQSZACIVSA-N	249.398	4.633	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CC[C@H]3C[C@H]3CC2)CC1	1966011747	KKWJGCMNYBKUCO-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1CC[C@@H](C)C1	1968298907	MALINOWXQUPHBJ-KGLIPLIRSA-N	231.383	4.658	0	10	BJAE	
CCCC[C@@H](CC)NC[C@H]1CCCCC1(C)C	1970081298	DHTDOTGECUZLRI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)CN[C@@H](CC)c1cccs1	1973174210	YHHAXXRPUIIHHW-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
CC(C)CCCCCC[C@@H](N)c1cccs1	1980687960	RPKWZIMIXILMIP-CYBMUJFWSA-N	239.428	4.745	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)C1(C)CCCCCCC1	1981416396	OLVGEXKXRDLGRK-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CC(C)c1cnc([C@@H]2CCCCC2(C)C)s1	1981851503	WPHZUVUGWDHYGJ-NSHDSACASA-N	237.412	4.950	0	10	BJAE	
C/C=C/CCCc1ccc(C(C)(C)C)cc1	1984606703	MWLSJKNHWGQZBP-AATRIKPKSA-N	216.368	4.883	0	10	BJAE	
C/C=C/CCC[C@@H](N)[C@H](CCC)CC(C)C	1984631216	ABWGTAHHOWZODH-IPKOWEFYSA-N	225.420	4.523	0	10	BJAE	
CCCCCC[C@@H](N)C1(C(C)(C)C)CCC1	1989453031	HUIDZNIWJGZXRR-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1cc(C)c(C)s1	1989984717	QKYYSWSVBGPLHA-GXTWGEPZSA-N	239.428	4.581	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC1(CCC)CC1	1990645340	SIMKNLFULVQUSR-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(C(=O)[C@@H](C)C(C)(C)C)ccc1Cl	1993194922	FSXJQWRRDBQGJY-SNVBAGLBSA-N	238.758	4.513	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H]1CC1(C)C	1995214641	NPKUSVBCRSFTKS-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@@](O)(C1CCCCC1)[C@@H](C)CCC(C)C	1996547344	NSCOBYSMKPKIOC-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@H](C)NC[C@H]1CCC[C@H](C)CC1	1997118672	ZFKYGILOLSDZEG-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCN[C@@]1(C)CCCCC1(C)C	1997426745	QBGDSQGRGGTFTM-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)C1(C)CC=CC1	1997546589	NYNWIYDTCALBQM-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC(CC(=O)CCC2CCC2)C[C@H](C)C1	1998047295	JFXJEEMEDQFAGW-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H]1[C@@H](C)[C@H]1C	1998460965	BYZCLHQGECVUEZ-FOLVSLTJSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@](C)(CNC)[C@@H]1C=CCCCCC1	2000507760	HDQHREOFJHSKKF-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCCCCC1(F)F	2000763209	GREVGDRASIBDMX-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCCCN(C[C@H](C)CC(C)(C)C)[C@H](C)CC	2000900706	QBNXZHJHNQIQBF-HUUCEWRRSA-N	241.463	4.959	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)CCC[C@H]1CC1(C)C	2000908633	ALCBUIBNFLUYPB-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CC23CCCC3)sc1C	2001251047	RIWGXUAXIXGRJU-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCCCCC[C@](C)(N)C1[C@H]2CCCCC[C@H]12	2002791519	MPTQXNIVUWPBHN-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC([C@@](C)(O)CCC(C)C)CC1	2002923681	BWUWVGJWFGZRQF-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(C)n1[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003025860	AFZMHRJXOFQVGK-LSDHHAIUSA-N	233.399	4.882	0	10	BJAE	
CCC(F)(F)CCC1(N)CCCCCCCC1	2003095167	LSQDSVDTPKEMLP-UHFFFAOYSA-N	247.373	4.644	0	10	BJAE	
Cc1cccc(NC2CCCCCCCC2)c1	2003099642	MMAQGFYEEMPCGT-UHFFFAOYSA-N	231.383	4.910	0	10	BJAE	
CCCCC[C@H]1CCCCCC[C@@H]1NCCC	2003115846	DWXHGAFPCKBZBT-HOTGVXAUSA-N	239.447	4.905	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCC[C@@H]2CC[C@H]21	2004796863	DZFFORFKUZQUNK-UXIGCNINSA-N	249.785	4.639	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@H]1CCCCC12CCC2	2005562773	FDEJBAHPAKHQMW-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC1(CC)CCC(O)([C@@H]2CCC[C@H]2C)CC1	2006775611	WAPPBEFFFSPUTD-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](O)C=C1CCCCC1	2007921248	LPNTZIASMOUXKM-HOTGVXAUSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CCCCC[C@@]1(O)C=C1CCCCC1	2007922958	XRCJDVYDTDZDPH-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
N[C@@H](C=C1CCCCC1)C1CCCCCCC1	2007933908	DZFWMHUZHDADOV-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2(C)CCCC2)CC1	2009404400	NAFFHKZIDOXSNA-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](O)[C@@H](CCC2CCCCC2)CC1	2009408973	XLUIROGQLLQWGE-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H](CC)CCCC	2009629936	VKXXWRSNANACMT-IBBQAADRSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@](O)(CC)C1=CC[C@H](C(C)C)CC1	2010714917	SDSPRNQPJAUVPM-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@](C)(O)C(C)(C)C)CC1	2010724061	YCJJVGVOKYLBGC-WBMJQRKESA-N	238.415	4.556	0	10	BJAE	
C=C=CCC[C@H](NCC)[C@H](CCC)CC(C)C	2010995968	VICMYTVOIIATAL-CVEARBPZSA-N	237.431	4.548	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1CC(=C2CCC2)C1	2011092076	SVAMIUDVZFWQGB-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCCCC(C)(C)NCC1CC(C(C)(C)C)C1	2013542802	OSAYCZNRLQTLIC-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@](O)(CC)C2CCC2)CC1	2017649338	UPEHXJJETOVKQS-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1CCC(CC)CC1	2017767821	ALDIIBHZQJUGLI-NFOMZHRRSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@](N)(CC)CC1CCC=CCC1	2018135616	AWYWKYCBPYHWGE-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCC1(C[C@@](O)(CC)CC2CCCCC2)CC1	2018978169	ZYRPXDHTWTZPFF-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC1(C[C@H](CCC2CCCCC2)NC)CC1	2018990987	RBXIWBPLHOUWMH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@H](C)CC(C)C	2018999598	LCFWAVMDZBDYNV-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)N(C)[C@@H](C)[C@H]1CCCC(C)(C)C1	2019305103	FHOLIEZTIYTGHU-KKUMJFAQSA-N	239.447	4.712	0	10	BJAE	
CC(C)CCCCCCN[C@H]1C=CCCCC1	2019497059	BEEDMOQJFBLEKV-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCC(C)(C)C1=O	2020396010	ISCJFTSEBMEKSR-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC=C(CC)[C@](O)(CC)C1CCC(C)(C)CC1	2020971142	HJGVIEDCISLFGT-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)C1CCCCCC1	2022553906	KHFJCEJWOLXGKC-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@H]1C[C@@H]1C(C)(C)C	2022557062	KYLGYRNELAXTGZ-RDBSUJKOSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)[C@H](C[C@H]1CCCC(C)(C)C1)NC	2024090716	AVZMJBBBLHDLKE-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@H]1CCCC(C)(C)C1	2024095650	RWGJJOFFKRPEEM-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)CNCCC1CC(CC)C1	2025376567	OELBFDMKLJFHRR-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C1=CCCCCC1	2026141860	GUNSUGZKKNFMCV-HOCLYGCPSA-N	238.415	4.844	0	10	BJAE	
CC1CCC(CCNCC2CCC=CCC2)CC1	2028890951	GBBBQJLENACSQK-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCCCCC(=O)c1cccc2c1CCCC2	2029687397	TYJRSGPEDYJIEH-UHFFFAOYSA-N	244.378	4.719	0	10	BJAE	
NC1(CCCCCC2CC2)CC(C2CCCC2)C1	2033779754	FHTIPFWEEUEISQ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCNC[C@@]1(C[C@H]2C=CCC2)CCCC1(C)C	2035590681	UATWHMMICPHKEK-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](C2(N)C[C@H]3CCCCC[C@@H]3C2)C1	2035856827	AMQHRWIORDXFJU-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@]1(CNC2CC2)CC12CCCC2	2036107945	SCPGBCIXSJUNBI-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CC[C@@]1(N)CCCC[C@@H]1C1CC1)C1CC1	2037160799	OKAHEFILPHNPHU-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CNC2(CCCCC2)C1	2037720999	MMIIUBSSNLTWNT-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C2CC3(CCC3)C2)CC1	2039379367	ZDMQYGWMEGRVLZ-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CCC(=C[C@H]1C(C)=CCC[C@H]1C)CNC(C)(C)C	2039433327	BEUUXXXAFIAFQQ-ZBFHGGJFSA-N	249.442	4.703	0	10	BJAE	
C[C@@H](NC[C@@H]1CCC2(CC2)C1)C1(C)CCCCC1	2039860288	UNXFSFMKQSZDFY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@@H](C)N[C@@H]2C=CCCCCC2)CC1	2040648862	XILQVCJPFYKORG-MNAZLIDISA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2ccc(F)cc2)CC1	2041381471	ABZQHXMOGSIFCL-OLZOCXBDSA-N	248.341	4.615	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@@]1(C)CC=CCC1	2042026982	JFYGQXDMBTYXGJ-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1[C@H]2C=CC[C@H]1CC2	2042526650	QCWITAFSNYIGCJ-ZQIUZPCESA-N	241.378	4.577	0	10	BJAE	
CC1(CCN[C@H]2CCC3(CCC3)C2)CCCCC1	2043608654	WHJALBINOUGZAW-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(=C[C@@H]1CCC=CCCC1)C[C@H]1CCCCN1	2045318953	ZRQYSSHLZZFOQY-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CN(C[C@@H]1C=CCCCC1)[C@H]1CCCCC1(C)C	2046391511	MTBKIBJSSJKPAH-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@@H]2CCC23CCC3)CC1	2047956995	VQXQHCJIJHNOLQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048467802	WRZTYGNKDBFGAN-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@@H]2C=CCCCC2)C1	2049492185	GUKRYYXCNMFBQP-NVXWUHKLSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2CCC3(CC2)CC3)C1	2049948549	QSNQBDUETWTALY-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@@H]1CCCCC12CC2	2053304012	HJCVTJVHJWZKOR-GDBMZVCRSA-N	247.426	4.578	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@H]1CCCCC12CCC2	2053362387	ZRVJUKNHJSBTRD-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCC1CCC(N[C@H]2CCCC(C)=C2C)CC1	2055552594	QOGHYARNQGECCM-JCYILVPMSA-N	249.442	4.824	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H]1CC[C@H](CC)C1	2056875326	FUJQNHMJRNLNPF-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C[C@@H]1CC1(C)C	2056880982	GBJZRORFYNJWMS-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCCCCCN1C[C@H]1CC12CCCCC2	2057103873	URONVKNYKIZMGR-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C)CC1)C1CC(C)(C)C1	2060924925	HMLSAVISHCTUKH-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C)CC1)C1CCCCC1	2060926993	VJHFHCHDSDPYGW-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C1=CC[C@@H](C(C)C)CC1)C1CCCCC1	2061089033	QIYXUZKHNBSBFT-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)[C@H]1CC[C@H](C)C1	2061098416	JBKWVZCIWKDZDQ-NXNVCVFFSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](CC1CC(=C2CC2)C1)NCCC	2061726351	PFDIVTJXEXPNAT-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C/C=C/CCCN[C@H](C)c1ccc(CCC)cc1	2062371883	KDZNMWSNOXHWDR-CSPWOOARSA-N	245.410	4.646	0	10	BJAE	
CC(C)C(=C[C@H]1CCC2(CC2)C1)CNC(C)(C)C	2062809638	DESDOZJJPTZHOO-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CC(NCC23CCCC2CCC3)C1	2063903720	XWPXHQRNQMMMHD-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(F)CC(CNc2ccc(C3CCC3)cc2)C1	2065830762	XZAXAZNVKBVEHO-UHFFFAOYSA-N	247.357	4.504	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)C1(C)CCCC1	2067569736	HHGKTXNVBVPHCI-CWRNSKLLSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@H](C)[C@H]1CCC1(C)C)c1ccccc1	2068286366	FFIDSYIKESECQO-BMFZPTHFSA-N	245.410	4.552	0	10	BJAE	
CC(C)C(CCC(=O)Cc1ccccc1)C(C)C	2068992688	BQOBRMVOSGDTSD-UHFFFAOYSA-N	246.394	4.507	0	10	BJAE	
CCC1(CN2CCCC[C@H]2C2CCCC2)CCC1	2069323002	DGSJIYATTQJPLK-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC(C)C1(C[C@@H]2CNC3(CCCCC3)C2)CCC1	2071940192	IINBADWSKOWBEQ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H](C)C2CC=CC2)CC1	2072702270	KANVJLAXHNUPTD-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)C2(C)CC=CC2)CC1	2072797061	VUADNXDLBYDAII-JYJNAYRXSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(C[C@H](NC)[C@@H]2CC=CCC2)CC1	2072808363	FYFZXWLYCUJENJ-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@@H]2C[C@@H]2C2CC2)CC1	2072880822	AIDWNZDVHCXQHZ-GKLJAUDBSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@](O)(CC)c1ccccc1C(C)C	2073339564	AIRUIBCTOVQGJR-KRWDZBQOSA-N	248.410	4.988	0	10	BJAE	
CCCCC[C@](N)(CC)c1coc2ccccc12	2073346653	NYXIOEPYPQBLGV-MRXNPFEDSA-N	245.366	4.577	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@@H](C)c1ccccc1	2075143610	IBLMULLPNAMUAM-WBVHZDCISA-N	247.426	4.691	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)c1ccc(C(C)C)cc1	2079632452	HOTSUOHOKLYZPD-ZACQAIPSSA-N	245.410	4.636	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1C[C@H]1C[C@@H](C)c2ccccc2N1	2079659003	DIOFBSCQSNKDGF-HLPPOEQASA-N	243.394	4.657	0	10	BJAE	
CCc1ccccc1[C@@H](C)NCC(C)(C)C(C)C	2081208206	BYTVXBJABUHIET-CQSZACIVSA-N	247.426	4.582	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)c1ccccc1CC	2081208842	JIZAZCWYEZHYGT-LSDHHAIUSA-N	247.426	4.868	0	10	BJAE	
C[C@@H]([C@H]1CC[C@@H](N)CC1)[C@@H]1CCC2(CCCC2)C1	2082132363	DIXMDABLHVETIZ-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
C1CCC2(CC1)NCCC[C@@H]2CCCC1CCC1	2083814638	SSYRRGJSLUBIJZ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC[C@@H](CC=Cc2ccccc2)C1	2210662487	PCBPPAKFRHJGBQ-OAHLLOKOSA-N	214.352	4.916	0	10	BJAE	
CC1=CCCC[C@]1(O)CCCCCCC1CC1	2213574669	WPVOBRZJFVEOBK-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
NC1(CCCCCCC2CC2)CCCCCC1	2213576193	NOCDPTINUPTIFI-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CCCCCC[C@@H](CC1(C)CC(C)(C)C1)NC	2215388007	QPWWBRPGIKQQOT-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)C2(C)CCCCC2)C1	2215393173	AYFFZOPELUSQJY-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCc1cc(C(=O)[C@]2(C)CC=C(C)CC2)cs1	2215824138	PXOADBRBUKOGRC-OAHLLOKOSA-N	248.391	4.630	0	10	BJAE	
CC(C)=C(C)CN[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216252179	IPJVHDXWTYJTBQ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC(C)C)CCCC1(C)C	2217131163	RGQKUHFUEAYACF-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC1(CN[C@@H](C)CC)CCCC1	2217133325	DACWTECSSVHQGI-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CN[C@H](C)CC)C[C@H]1CC[C@H](C)CC1	2217152356	DDCCHBZKDVVQBE-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)CC1(C)CCCC1	2217157641	UQEGQWYAXVMHEI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1CC(CC(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218380819	UMVRZIVWAULHHU-OQVSOFDRSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCCCC=C1CCC[C@@H]2CNCC[C@@H]12	2218416720	LGNRBPBNOCDIDZ-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C(C1CC1)C1CC1	2218718174	LAGLNRZENQIUSL-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@]1(CCCCC1CC1)CNC1CC1	2220045838	PILQQDJGPUFIQH-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@H]1CC[C@@H]1C	2220517803	CDDWHEAGLNAOAT-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccnc(C(C)C)c1	2220866008	HVDMAOYIVBSLNM-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
CC1(C[C@H](N)CC[C@H]2CC2(C)C)CC2(CCC2)C1	2221028070	MNEFKKHLTMOFOV-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@H](CN[C@@H](CCC(C)C)C2CC2)CC1	2221668826	RJDCRIGAZDZEMU-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CC[C@@H](CNC2CCC2)C2CCC2)C1	2223545669	IDVRQJFSEHWVNC-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1cccc2ccoc12	2224175513	CBZCLGDGDKYDRD-SWLSCSKDSA-N	246.350	4.683	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H](CC)CCC	2244786221	SVQGQTPKZYOLMF-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCNCCCCC[C@@H](C)CCCC(C)C	2244866159	DQQWJTHINYOPSF-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H]1CC(C)(C)CCC1=O	2247098835	LYBPBHOWKWQGCB-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1Cn1ccc2c(Cl)cccc21	2247400749	WKYZUSZZOXLQMP-LLVKDONJSA-N	247.769	4.731	0	10	BJAE	
CCC[C@H](C)[C@H](N)c1cc(C)c2sccc2c1	2248577655	KWAHHVQANXURLM-HZMBPMFUSA-N	247.407	4.646	0	10	BJAE	
CCC[C@H](CCCCCC[C@@H]1C[C@H]1C)NCC	2248813903	JHZLZHXEUUFPOR-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1CCC2(CCCC2)C1	2250387629	QOFUOVJVCZWMFA-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC(F)(F)C(=O)CC[C@H](C)CCCC(C)C	2250480305	FNZUQEXWFDRTSK-GFCCVEGCSA-N	248.357	4.843	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)CC1CCC1	2250519019	LOANHXRQYWRVJM-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCCCCN[C@]12CCCC[C@@H]1CC2	2251143849	ZWJDZPIKWUDHDX-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CN)CCC1CC(CC(C)(C)C)C1	2251502711	OVFCDWJSKSLPBM-NFOMZHRRSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](NCC[C@@H]1CCCCC12CC2)C1CC1	2253891688	XTBRLAOWMPZZRG-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)C1	2253913804	GUYGNOCMALUFKP-KDEOKCCVSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC1CC1)CC1CC2(CCCC2)C1	2254111338	HILAIPXUKSVRDO-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@@H](N)CC2CC3(CCCC3)C2)CCCC1	2254119184	JPJQPABVJIPIRO-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CCCN(CC2=CCCCC2)CC1	2255059623	UEAMBGVPKJLAJS-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
OC1(CC2=CCCCC2)C[C@@H]2CCCCC[C@H]2C1	2255064761	RSLGJZJNEMIBCO-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CCCCCCN(C)Cc1ccc(CCC)cc1	2256315688	YOPNNRQKOSNJPH-UHFFFAOYSA-N	247.426	4.651	0	10	BJAE	
C[C@H](C[C@](C)(N)[C@@H]1CC12CCC2)C1CCCCC1	2256489255	NLZQKDMNDSIEER-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@H](N)C1CC2(CCC2)C1	2257280185	FKPFURAFWXCOJI-LZWOXQAQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)c1cccc(C2CC2)c1	2259435207	AMZMMDVFHJFDFH-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
FC1(CNc2cccc(C3CCCC3)c2)CCC1	2260660782	GTDFLKZXENITCE-UHFFFAOYSA-N	247.357	4.648	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(C[C@]23CCCC[C@H]2CC3)C1	2260680354	XKEHANNVBVQZLG-YYIAUSFCSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](CC2CC3(CC3)C2)C1=O	2261446307	XMLCVFYIHCUUQM-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@@H](C)CC1CC1	2298853629	PMCDAVLOHASIJK-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)c1cc(C)cc(F)c1	2300678984	OZYPJTRQHYYGMC-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCC[C@@H](C(C)C)C1	2300680196	BDKBQKGAKUWRJF-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@@]1(C)C[C@@H]1C	2300687697	FQFZDURUTFALMD-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1CCC[C@H](CCC(CC)CC)C1	2300688864	RHOCKDSFLPRMRI-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCC[C@H](C2CC2)C1	2300702884	ZYSZXJQYXIDGCJ-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CC(=CC[C@@H](N)[C@]1(C)C[C@H]1C)CCCC(C)C	2300876219	DGHYOYTWYYAFAO-BZUAXINKSA-N	237.431	4.523	0	10	BJAE	
CCC(C)=CCN(CCC(C)C)CCC(C)C	2300884426	SNCOVJMADBUOFP-UHFFFAOYSA-N	239.447	4.737	0	10	BJAE	
CCC1(C)CC([C@H](O)CC2CCCCCC2)C1	2301133171	ISXMKNRSJSLYQY-HWOWSKLDSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](O)CC1CCCCCC1	2301135946	QSXYVFXDJMWUIH-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
C[C@](N)(CC1CCCCCC1)C1CCCCC1	2301144400	DEPZYLQAJGCMBI-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC1CCCCCC1	2301147856	NSOPYFXXCPLLTC-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@@H](C)[C@H](C)C(C)C	2301838792	FYBIQAXHDQKILS-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)CCC1=CCCCC1	2301938680	OKBYSGKOAPLVLC-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CC[C@H](C)N1CCCC1=CCCCC1	2302357946	AVXIZRXFQGASFD-HOCLYGCPSA-N	235.415	4.530	0	10	BJAE	
CCC(C)(CC)[C@@H](C[C@H]1CCC(C)(C)C1)NC	2302689203	FLKOTCQWJGOCCC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)(C)C1)C(CC)CC	2302903338	YTAXDEGZUDFTBG-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC(=O)CC[C@@H]1CC[C@@H]1C1CC1	2303145842	BORWCGVEKCMJHL-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@@H]1CCCCCC1=O	2303476513	SEBWPCRQJHBLAL-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)N(CC)C[C@H]1CC[C@H]1C(C)(C)C	2303504405	VJMGOAJMQWHYHI-UKRRQHHQSA-N	239.447	4.569	0	10	BJAE	
CC1=C(C)C[C@@H](CCC[C@H](O)C(C)(C)C)CC1	2303594693	KQKGCJPQCGTPSG-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
FC(F)CC12CC(C[C@@H]3C=CCCCC3)(C1)C2	2304421941	CWMLRBGONWSOKN-LRVUVFPRSA-N	240.337	4.948	0	10	BJAE	
CC(C)NCCC=CCC[C@H]1CCC(C)(C)C1	2304446281	HDGAOMIQDQECLJ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(N)CCCCCC1(C)C	2307825482	BKPHNDWPNJRIMF-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H](CCC)CC(C)C	2307900498	GELUXBNBBJORHQ-XHSDSOJGSA-N	241.463	4.993	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)C(C)(C)C1CC1	2307905075	VOZBLYZVIDMRSB-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)C1(CCC)CCC1	2307907441	LOZQVAGLYGSALW-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC1=CCCOC1	2307918516	VTGXOEHVUPJLFJ-HNNXBMFYSA-N	238.415	4.966	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C1CCC1	2309184460	GYYHOQFJBZALRK-MWDXBVQZSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)C[C@@]12CCCC[C@@H]1C2	2311161792	JOBSNOVAJCPGMD-QEOTZNIISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)[C@@]12CCCC[C@@H]1CC2	2313307983	UTITXQMTODQBTD-KLZNWCGWSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)CC[C@@H](NC)c1c(C)cccc1C	2316247697	HPNGNLUFBWPVLJ-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1ccc(C)cc1F	2316504417	VZKSTJVTYRIQLC-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCC(C)=CC[C@@H](NC)c1cc(C)cc(C)c1C	2316538956	ZANYSXMIWUTIJV-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CC1CCCCCC1	2316883110	GFCAIMVXAHCVHW-UAGQMJEPSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@@]12CCC[C@@H]1CC2	2316999322	SFNAHCZLKWYIJQ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H](C)[C@H](C)C(C)C)cc1	2317829268	YDFPVXULVIWHEI-CKEIUWERSA-N	248.410	4.772	0	10	BJAE	
CN[C@@H]1C[C@H](C)C[C@@H](CCCC2=CCCCC2)C1	2318592518	KBJGLXOBZCGSSZ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CC[C@H]1CC[C@@H]1C1CC1)C1CCCCCC1	2319694380	XOHPVBZGRNJQCC-DJIMGWMZSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@@H]1CC[C@H]1C1CC1)C1CCCCCC1	2319731950	XNKSCKUVQFUWAR-HOCLYGCPSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCC(C)(C)CC2=O)CC1	2320336195	FLRJEQYVIOPQRP-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2C[C@H]2C(C)(C)C)CC1	2320413287	MXRJBVQWXGLPGZ-QLFBSQMISA-N	248.410	4.764	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCC(C)=C(C)C2)CC1	2320415160	YCROAGFGSLFODW-BRWVUGGUSA-N	249.442	4.824	0	10	BJAE	
C[C@@H](C[C@](N)(CC1CC1)C1CC1)C1CCCCC1	2320629501	UCUAGPOVQJBHSA-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)[C@H](CC2CC2)C2CC2)CCCCCC1	2320817654	XPXYSUABAVXXGU-OAHLLOKOSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2C[C@H](C)CC[C@H]2C)c1	2321083196	OWFBEXORFQNNBC-XHBSWPGZSA-N	249.373	4.625	0	10	BJAE	
CCCCCCc1ccc([C@H](N)C2(C)CC2)cc1	2327899168	MBMFIQONKFNUJT-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
Cc1cccc(N[C@@H](C)c2ccc(C)c(C)c2)c1	20565109	RIOJJRKKIDOGGW-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCC[C@@H](NC1CCCCCC1)c1ccccc1	21809807	IOJZMTDTEVYABP-QGZVFWFLSA-N	245.410	4.840	0	10	BJAE	
CCc1cccc(C)c1NCc1sccc1C	37763798	VICJUAZRXIMEPK-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
O=C(c1ccc(-c2ccccc2)cc1)C1CC=CC1	59456222	NOJIVJZIBNHFOC-UHFFFAOYSA-N	248.325	4.503	0	10	BJAE	
CCCC[C@@H](CC)Nc1cc(C)ccc1F	68986029	NABAGAGZVRNNEF-GFCCVEGCSA-N	223.335	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2ccc(Cl)c(Cl)c2)C1	70748110	FYBSCMZCRZSUDL-DTWKUNHWSA-N	244.165	4.594	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCCC(C)(C)C2)cc1	79977674	AEMIOKVDVDURGN-HOCLYGCPSA-N	245.410	4.614	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccccc2Cl)[C@@H]1C	82857369	YHLDQSLDVDMCCC-LOWVWBTDSA-N	237.774	4.577	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CC[C@H](NC)C(C)(C)C	83828360	ADFWLRTXANJAMA-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](Oc2ccc(Cl)cc2)CC[C@H]1C	85150231	CGIINAGPNOEFBK-SUNKGSAMSA-N	238.758	4.544	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccc3[nH]ccc3c2)CC1	86879945	DTIQIRNOFCBHHB-OCCSQVGLSA-N	242.366	4.549	0	10	BJAE	
CCCCC[C@](C)(O)C1CCC(CC)CC1	87649039	ZQNAXALAADCZSS-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](O)c2ccc(C(C)C)cc2)C1	88014060	HRSGSFYXGKRASC-KBRIMQKVSA-N	246.394	4.670	0	10	BJAE	
CCC1CCC([C@H]2C[C@H](CC)CCC2=O)CC1	93122795	WKPKQZPITYGJNP-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2C[C@H](CC)CCC2=O)C1	93122969	ZXCOMPIFBDSGSY-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCCCC1(C)C	94278352	LSUKDGYGEQMYRC-HNNXBMFYSA-N	245.410	4.938	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)c1ccccc1	94984425	VBTXKQVNNOOPPC-OAHLLOKOSA-N	247.426	4.944	0	10	BJAE	
CCC[C@@H](C)CC(CC)(CC)CNCC(C)C	110208856	HSPPFWBEXIIEOA-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CCc1cccc2ccn(CCC(C)(C)C)c12	128377135	LDHHLXQHKMMYBB-UHFFFAOYSA-N	229.367	4.640	0	10	BJAE	
CC[C@@H](NC1CCC2(CCCC2)CC1)C(C)C	129351185	CSOOEIQVYBZECE-OAHLLOKOSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)SCc1nc([C@H](C)CC)cs1	132244649	BXJCWMUQSMZPTF-NXEZZACHSA-N	243.441	4.688	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C(CC)CC	133542363	NKHAHEGIZHZVCI-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCNCCC(C)(C)[C@@H]1CCC[C@@H](CC)C1	133908036	TWVLXOXNXIQGNZ-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@H]1CCCCC[C@@H]1CNC(C)(C)C	155859876	UWVIUTPGXYMMBH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H]1CC(C)(C)CC[C@H]1CNC(C)C	156299743	HBUNYURRAWPPCQ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](NCCC)C1(CC)CCCC1	159687505	BMHGBZIWDNGRTB-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@H](C)c1ccc(C)cc1	159888972	NBMXUTSYLAHBBI-HLLBOEOZSA-N	245.410	4.614	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC1=CCCCC1	161384062	OFGPLFQFBWCZGB-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CCC)CC1CCCCCC1	168943234	LQCHJZSLIPFCHD-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCC(CC)c1csc2ccccc12	204942246	VOGCIDKCHCIENO-UHFFFAOYSA-N	204.338	4.805	0	10	BJAE	
CCCC(CCC)c1nc2ccc(N)cc2s1	212118258	RDVNXZBDXLSUNW-UHFFFAOYSA-N	248.395	4.562	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H]1CCCC1(C)C	226879750	FZEKYXPBNCZDON-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C(C)C)C2)cc1F	230986262	SPFWYPFCLYNPJG-KGLIPLIRSA-N	249.373	4.761	0	10	BJAE	
CC(C)CC[C@H](C)Nc1cc(F)ccc1Cl	231812127	OVUZKEAOURIAPV-JTQLQIEISA-N	243.753	4.716	0	10	BJAE	
c1ccc2c(c1)NC[C@@H]2CCC1CCCCC1	232451463	GDRJCQUQQCGAEZ-AWEZNQCLSA-N	229.367	4.556	0	10	BJAE	
CCCCCC[C@H](C)[C@@H]1CNc2c(F)cccc21	232979930	XJMUTZNMWIZVMR-JSGCOSHPSA-N	249.373	4.941	0	10	BJAE	
CC[C@@H](C(C)C)[C@H]1CNc2ccc(Cl)cc21	233821308	RRALHXNVVRVKSP-WCQYABFASA-N	237.774	4.531	0	10	BJAE	
CC(C)c1cnc(Cl)c2c(Cl)cccc12	257922558	AWEYUFXKJBVPMF-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CC1CCC(C(=O)C(C2CCC2)C2CCC2)CC1	302572460	AGKBCNWMIGXBIG-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](Nc1cc(Cl)ccc1C)C1CC1	304354351	QXSIVXORQVLMTD-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1cccc2ccsc12	305899946	AFRABBDZDOSKGF-BXUZGUMPSA-N	248.391	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccc(CC(C)C)cc1	305996750	KDTTUZGIVNRJFZ-WMLDXEAASA-N	248.410	4.745	0	10	BJAE	
CCc1cc2sccc2c(Cl)c1CC	307208702	KJXJQFXTSXJXDX-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
C[C@H](C[C@H]1CCCCCC1=O)C1CCCCC1	310158019	KXTJNKMQDYVPBQ-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC(C)NCc1cccc(C2=CCCCCC2)c1	310639472	SLYAXKMXKVQCOA-UHFFFAOYSA-N	243.394	4.532	0	10	BJAE	
CC(C)C[C@@H](C)N[C@H]1CCCC12CCCCC2	313031230	JBPGYPQHPKAROI-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCCNCC1([C@H](C)CC)CCC(C)(C)CC1	317813625	IWTGBAWXJXJYCS-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(O)CCC(C(C)(C)C)CC1	319046072	UYMPAPJKIPBIEC-RNDNHVFHSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1cc(C)cs1	379049145	KQBNSGYNGMITDW-CHWSQXEVSA-N	239.428	4.663	0	10	BJAE	
CCCN[C@H](c1ccccc1CCC)[C@@H](C)CC	384485359	CRKOAYOTMHXANS-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1ccccc1CCC	384636721	KXCKHGFBOMCSDG-QGZVFWFLSA-N	247.426	4.868	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CCC(C)C	384842236	JDYGIQLYWUSFPA-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)c1cc(C)cs1	386208055	DAPGGNCNWZEMKK-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
C[C@H]1C[C@@H](CC2(C)CCCC2)c2ccccc2N1	386469404	UNLIFUOFTVSFCV-KBPBESRZSA-N	243.394	4.945	0	10	BJAE	
CCCCCC[C@@H](NCC)C1(CCC)CC1	390465164	FIQXCGPECBKICB-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](NCC1(CC(C)C)CC1)c1ccccc1	391840974	DKMBCHCKQMMDON-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
Cc1cc(C(F)(F)F)c2ccsc2c1S	396307479	RPBPKKRCLKCPNJ-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC[C@H](Nc1cccc(Cl)c1)[C@@H]1CC1(C)C	397759768	DUBLPYKKMKMCHY-STQMWFEESA-N	237.774	4.577	0	10	BJAE	
CCCCCC[C@@H](CCC(C)(C)C1CC1)NC	405789827	GERXPRMXMDQLGB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1cccc(NC[C@H](C)CC(F)F)c1	688767119	DYYWETCBJWXMEI-LLVKDONJSA-N	241.325	4.513	0	10	BJAE	
C[C@H](CC1CCCC1)NCC(C)(C)C1=CCCC1	689828423	WBVZFEDYQYGIAH-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
N=C(Nc1cccc(C2CCC2)c1)C1CCCC1	690100231	HCUHYQHRUVEPFX-UHFFFAOYSA-N	242.366	4.533	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@@H](C)C1CCC1	692725799	PTABEDYFSSMPGT-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)Oc1cccc(C(C)(C)C)c1Cl	694973917	XARLHUIAGPCKCA-UHFFFAOYSA-N	240.774	4.815	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@H]1CCCC2(CC2)C1	696016204	FAPVHRFUPKTCQO-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C[C@@H](C)C(C)(C)C	696642932	BTOKEQUGUSYQFP-CHWSQXEVSA-N	227.436	4.602	0	10	BJAE	
CC(C)=CCCNc1ccccc1C(C)(C)C	697747907	MGDAKEZQDSZJTJ-UHFFFAOYSA-N	231.383	4.752	0	10	BJAE	
CCCc1cccc2cc(C(=O)C(C)(C)C)oc12	699491024	QJPNAXFVYJOHIA-UHFFFAOYSA-N	244.334	4.614	0	10	BJAE	
CC(C)(C)c1ccnc(NC(C)(C)C(C)(C)C)c1	699606347	SBBSBWHMTVBKRH-UHFFFAOYSA-N	248.414	4.616	0	10	BJAE	
Cc1ccc(F)cc1NC1C(C)(C)CCC1(C)C	699619549	CSCXTPPKDWVSTB-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCC[C@](N)(CCCC(C)(C)C)C(C)(C)C	704890393	RHWDPDOYSGRYEQ-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H](C)CC(C)(C)C	708297005	KNRVNMWEZIKAQX-ZFWWWQNUSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H](C)CC(C)(C)C2)cs1	708809840	VWGPQONENXXZJJ-CMPLNLGQSA-N	237.412	4.683	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(N)CCCCCCC1	709074198	ANFCYUBAHDPYAI-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
C[C@@H](CC[C@H](C)CC(C)(C)C)CNC(C)(C)C	709191906	UVEAWLMSYROGFG-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)N[C@H](C)[C@@]12CCCC[C@@H]1C2	709277244	OHNRRLAVTAINCA-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C[C@@H](N)C1CCC(C)(C)CC1)C(C)(C)C	710779501	VVOHQOUSWSYEQZ-GXTWGEPZSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](O)(C[C@H](C)C(C)(C)C)c1cccc(C)c1	710803140	LXESKZVTVSCOSM-WMLDXEAASA-N	248.410	4.665	0	10	BJAE	
CC[C@@H](C[C@H](O)c1sccc1C)C(C)(C)C	711212174	RDBXZHCAKCOGCC-RYUDHWBXSA-N	240.412	4.552	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CCC(C)(C)CC	711293267	JVPDBZCJTFANSB-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(O)CCC1CCCC1	713034341	XRNRQYGGHHPGJL-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@H](CC(C)(C)C(C)C)C1	713138515	CVVVXMUZFDPTJQ-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CC(C)(C)C(C)C)NCC	713189993	LJSLWBZRFAXTRR-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCc1ccccc1[C@H](CC(C)(C)C(C)C)NC	713241270	RFDFVTYVOCSZMO-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CC1(C)CCC(C(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	714808378	ZMYBMOLNDROSEN-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1(C)CCCCC1	718567898	UIQFFLPSCPLCKE-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1c(C)cc(C)cc1C	718687610	DFOPPZPHWTTWID-MRXNPFEDSA-N	246.394	4.782	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCCC(F)(F)C1	719151662	LRSGLUKJVVPAPL-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)C1(C)CCC1	720740843	UPWFZKPYPJLKGV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@@H]2CC2(C)C)cc1	722896825	NBWBABNWYUAUNW-OCCSQVGLSA-N	232.367	4.625	0	10	BJAE	
CC1(C)CCC(NC2CCC3(CCC3)CC2)CC1	1474020952	HQFPIZIDZGWNRY-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)CNC1CCC(CC)(CC)CC1	1657784384	NHLCAFLPAFICMZ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(O)C1(Cl)CCCC1	1901847759	HGKTXRZDSUKHDU-CYBMUJFWSA-N	246.822	4.505	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC[C@@]12CCC[C@@H]1C2	1908447711	KBYVAERHDFDBDH-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@H]1C=C(CNC(C)(C)C)C1CCCCC1	1912054864	FCIJJFDIRSVNSI-ZFWWWQNUSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C1CC2(CCCC2)C1	1912638353	OPYBWVIKDCUINR-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCC=CCN[C@H]1CCC[C@@H](CCC)CC1	1914681105	ZUJQLLGJOQXVKV-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCC=CCNc1cccc2ccsc12	1914688784	NQISYARKECYHHE-UHFFFAOYSA-N	231.364	4.670	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CCCCCC2CC2)[C@@H](C)C1	1916058348	NAKLGZWCCACCMD-YDHLFZDLSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@](C)(O)CCC(C)(C)CC	1919947415	JOGKOWSAGJUZCG-HNNXBMFYSA-N	228.420	4.924	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1CC(CCC)C1	1921293819	FWFOBZFGLWLEAP-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
C[C@](CN)(CCC1CCCCC1)C1CCCC1	1924072116	GEFDLQMIGVQYKQ-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCCC1)C1CCCC1	1925928897	ZVTYIHRXAUVFBG-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cccc(CC(C)C)c1	1926384095	PZTPEAROGHWXFQ-QGZVFWFLSA-N	247.426	4.711	0	10	BJAE	
CCCC[C@H](C[C@H](C)[C@H](C)CC)NCCC	1939110106	DJNFGCDMTWYQNO-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CCC[C@@H]2CC2(C)C)C1	1940873324	QTNXZCRVBCMJHI-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCCCC[C@]1(O)CCCC1CCC1	1941470757	VADMPIXPWHQAPM-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H]1CCCCCCCCCC[C@H]1F	1942039176	OAJMQXAMRGSURA-CABCVRRESA-N	243.410	4.607	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@H](C)CCC(C)C	1942663231	YVWLLUYJWRBESX-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(O)CCCC12CCCC2	1942664667	UGPFEMJDTASEMM-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC1C[C@H](C)C[C@@H](C)C1	1944202064	HBVSTKQWPRCWTE-UMVBOHGHSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)(C)C)C(C)(C)C(C)C	1944668116	KHBKMURBTSAXRK-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)C1CCCCCCC1	1944796992	KJAPXINHINFQNM-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@H]1CCC1(C)C	1945742015	JOUFCCMUSMNRKD-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
FC(F)CCCNC1CCCCCCCCC1	1947881386	NVKMOQXADMWSEY-UHFFFAOYSA-N	247.373	4.514	0	10	BJAE	
CCC(C)(CC)C1(N)CC(C2CCCCC2)C1	1949090296	XRPDBPJVJRLPMN-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC12CCCCC2	1950604434	KIUBBMHRNRHZCZ-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)NC[C@H]1CCCC(C)(C)CC1	1950921427	FQKDYFKDLKBBRA-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](C)NCCC12CCC(CC1)C2	1950960917	YPJCNXWHNJOIKH-FHERZECASA-N	237.431	4.515	0	10	BJAE	
CCC=CC[C@H](CC)c1cc(OC)ccc1OC	1951308417	GNKKRNTWBGDUOJ-ZDUSSCGKSA-N	248.366	4.554	0	10	BJAE	
C[C@]1(CNc2ccsc2Cl)CC=CCC1	1957626233	FEGIGSVCOQFBJG-LBPRGKRZSA-N	241.787	4.560	0	10	BJAE	
C[C@H]1[C@H](C)C[C@H]1NC1CCC2(CCCCC2)CC1	1964581984	YNPNBOYIHJOACN-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccccc1OCC1CC2(CC2)C1	1968366726	LTTBWFJAXDVGDK-UHFFFAOYSA-N	244.378	4.553	0	10	BJAE	
CC(C)CCC[C@H](C)NCC1(CC(C)C)CC1	1971556360	AXRTVBAJNIHGLF-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)c2cc(C)oc2C)C1	1972937147	WKSJEJMFSUDZJF-GFCCVEGCSA-N	249.398	4.516	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H]1C1CC1)C1CCCCC1	1973479656	RAUBQBSWMYBNEB-IKGGRYGDSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC(C)C)C(CC)(CC)CC	1978587831	WLEZIJLYJWDROX-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H]1CCCCCC[C@@H]1NCCC	1980342025	OJYBGHGEGILCBH-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC(=O)C[C@H](C)C1	1982566516	OKLOEOAHDFYFRW-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CC=CCCCC1(N)CCCCCCCC1	1984597632	RWOBPONPHVYNTR-UHFFFAOYSA-N	223.404	4.565	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@H](C)CC(C)C	1986936599	FVZUFXISONQLOY-HUUCEWRRSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)c1csc(C(C)(C)C(C)C)n1	1990967152	XBZKEIUJVVZWNG-UHFFFAOYSA-N	239.428	4.764	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1C[C@@H]1CCC	1993071613	GKEAHLLUEFQROE-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCCSc1ccccc1NC[C@@H]1C[C@@H]1CC	1996572440	DKHFNULCHBUTFE-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CCC(C)(C)C)CC1	1997107706	DKXXQQIKIKIJRL-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
Cc1sccc1[C@H](N)C[C@@H]1CCC=CCCC1	1999978594	GIRBVBWHMBEKNY-UKRRQHHQSA-N	249.423	4.583	0	10	BJAE	
CCC(CC)(CC)[C@@H](CC[C@H]1CC1(C)C)NC	2000324185	QFCBXFYRFJKDNE-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCC(C)C)CC(C)(C)F	2000518882	TZSGXSFUYDLRIE-HNNXBMFYSA-N	245.426	4.567	0	10	BJAE	
CC(C)CC[C@@](C)(O)C[C@@H]1CC12CCCCC2	2001260113	SMSLNAIOPXYLJB-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C[C@H]1CCC12CCC2	2001851086	KWULEDPIQAAUIW-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@@H](O)CCC[C@@H]2CC2(C)C)CCCC1	2003179035	KCIUTKUKVQRONX-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@@H]1CCC2(CC2)C1	2003210530	FVSRALVRAHKVOB-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](CC=C(C)C)C1	2004226929	KCYPMSQKBGTKSY-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC(NCC2(C)CCCCCCC2)C1	2004943019	ZIZKAFNVBSLBQQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC(C)=C1C)c1ccsc1	2006923412	SKALLFFWBKFEJG-LSDHHAIUSA-N	249.423	4.678	0	10	BJAE	
CCC1(CC)CC(N)([C@H]2CCCC(C)(C)C2)C1	2009306261	JXXWAVFSGAWKCL-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1O	2009588404	JTQHHRGMSNHSTN-FMRXSRBFSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)C1=CC[C@H](CC)CC1	2010712556	AKPBXIPCABYCSL-IMJJTQAJSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C)C[C@@H](O)C1=CC[C@@H](C(C)(C)C)CC1	2010727846	ZQEKLOTVXRKXOV-NWANDNLSSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)(CC)C(=O)CC[C@H]1C[C@H]1C1CC1	2011190468	NBMQRKUNBCYQJN-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@](CCC1(C)CC1)(CNC(C)C)C(C)C	2012424544	FKJSBMXHNUYLGC-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC(C(C)C)C(C)C)C1	2015283640	GMYJSMASORAOBR-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](C)CC(C)(C)CCC(C(C)C)C(C)C	2015345564	UCKPEKSHTXHLNK-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCCC1([C@@H](C[C@H](C)C(C)C)NCC)CCC1	2015403207	YAJVNJFZOLHKSG-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@H]2CCCC[C@H]2NCC)CCC1	2015643560	DIUYSJFGNSDMPQ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3C[C@@H]2C3)c(C)cc1Cl	2015650601	NWGUCDWLPUNTDS-MBNYWOFBSA-N	249.785	4.557	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)CC1(C(C)(C)C)CCC1	2017121025	KCAHTDCENDYDCX-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CC(C)C1(C[C@@]2(N)CCCC(C)(C)C2)CCC1	2017141144	NFMRLGICSFQHQF-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CC[C@@H]2C[C@H]2C1	2018131351	NVRVKMKNDNTCTO-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@]12CCCC[C@H]1C2	2018576957	DSZZOSVGDHNHAC-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)C2CCC(CC)CC2)CC1	2018925657	SNAOJMBMPFFUSH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC1(C[C@]2(N)CCC[C@H](CC(C)C)C2)CC1	2018982485	MNNRCCIMMMPRRS-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCCCN(C(C)C)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2019124893	VEOJCNODYVRTPT-OWCLPIDISA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@@H](NCC)C1CCC(C)(C)CC1	2020965262	KQEHTHJRTHDNJS-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CC(=O)C[C@H]1C[C@](C)(F)C1)C(C)(C)C	2021388492	ALHNTQOHYCDMIJ-HUBLWGQQSA-N	242.378	4.546	0	10	BJAE	
CCC[C@H]1C[C@H]1C[C@@H](N)C1CCCCCCC1	2022562610	KAPRBTDSMVLXJT-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)[C@@]1(C)CC=CCC1	2023179049	FERYPUFBRUSVSM-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
CC[C@](N)(CC1CC1)C[C@H]1CCCC(C)(C)C1	2024088834	KNFFMNXWIOBLJF-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](O)[C@H](CCCCCC2CC2)C1	2024144892	AZHGXXDIKIGNJK-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
COc1ccc(C(C)C)cc1CCC=C(C)C	2024456368	MTTLCLUMTPZFPU-UHFFFAOYSA-N	232.367	4.717	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CCC2(C)CC2)cc1	2027731558	FEUQKBUUOPUDIO-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CCCCc1ccc([C@@H](O)[C@@H](CC)C(C)C)cc1	2028231684	HJVNFHCDUTWOHX-DLBZAZTESA-N	248.410	4.745	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1ccccc1C1CC1	2028562963	PTSVUYQXJNFWPA-PBHICJAKSA-N	246.394	4.670	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C(C)(C)c1ccccc1	2029822701	FGFJOUAEIADECC-CQSZACIVSA-N	246.394	4.606	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@H]2CCC[C@@H]2C1	2033066503	ZWPLBFHOCWMTPA-HHARLNAUSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H]2CC[C@@H](C)C2)c1C	2033401100	HOWOUFBDRLAFBB-MEBBXXQBSA-N	244.378	4.539	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C12CCC(CC1)C2(C)C	2033452733	FITHJHPAVHWTDQ-XCCIUEIHSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C(=O)[C@@H]1[C@H]2CCCC[C@H]21)C1CCCCC1	2033469422	HLJMTSUGHABORF-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@H]1CCC(C)(C)C1	2035575187	FINIMRBEYRFHNU-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@H]2C[C@H]2C2CC2)CC1	2037128840	WLXJMBRAJQYMMN-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCN([C@H]1CCC2(CCCC2)C1)[C@H](C)C1CCC1	2037684088	XILGZMFMMJPHFW-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)[C@@]23CCCC[C@@H]2CCC3)C1	2037695233	QWQAALRFKHPOGW-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C[C@@]2(N)C=CCCC2(C)C)C[C@H](C)C1	2037858674	AVLYIYORWJHRNP-CPUCHLNUSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](C1=CCCCC1)[C@H]1CCCC(C)(C)CC1	2039374416	GWBDMEUPRIDIME-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)C2(C)CCCCC2)o1	2039861614	HCLTXTAFZYIHTE-KBPBESRZSA-N	249.398	4.598	0	10	BJAE	
CC1CCC([C@@H](C)N[C@H]2CC23CCCCC3)CC1	2040637072	YEYWZRMYINRTDB-KNIAUWFNSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC1CCC(C)(C)CC1)[C@@H]1CC=CCC1	2042030751	OQBXDMOBOQMFJX-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)CNC[C@@]1(CC2(C)CCC2)CC=CCC1	2042098615	KAKRCNJYPCUVSA-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2C=CCCC2)cc1	2042331411	RVAVMKUXYJGPKQ-MRXNPFEDSA-N	243.394	4.940	0	10	BJAE	
CCCC[C@H](N[C@@H]1CC[C@H]1CC)c1ccccc1	2043706110	YACGKPQXURFRNV-HYVNUMGLSA-N	245.410	4.696	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC=CCCC1)[C@H]1C[C@@H]1C	2045324801	ZCLBQTAMTLBGFX-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(N)CCCCC23CCC3)C1	2045386482	XYQFKGMHGZQVMV-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC[C@@H]3C[C@H]3C2)CCCCCC1	2045595016	AHFYXUICXCAFJP-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCC[C@@](C)(CC=Cc1ccccc1)CNCC	2045998220	QXDYXSUZRSERMB-KRWDZBQOSA-N	245.410	4.506	0	10	BJAE	
CCc1cccc(C)c1NC[C@@]1(C)CC=CCC1	2047726371	MTEKABVFTCGGTI-KRWDZBQOSA-N	243.394	4.716	0	10	BJAE	
CC[C@](N)(CC1CCC2(CC1)CC2)C1CCCC1	2049851703	CASIOIOTIZMSOJ-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC2(CC2)C1)C1CCCCCC1	2049861502	CZJVRMMTEVYNRF-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@@H](C[C@@H]2CCC3(CC3)C2)NCC)CC1	2049863601	HOHQEVJGTSTWER-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@@]2(C)C=CCCC2)cc1	2049998587	WOFUGKFXUFWHSY-IRXDYDNUSA-N	243.394	4.556	0	10	BJAE	
CCCc1cccc(C(=O)[C@@]2(C)C=CCCC2)c1	2050010845	WVHPJQIVPMUAKG-KRWDZBQOSA-N	242.362	4.568	0	10	BJAE	
Cc1ccccc1[C@H](O)CC[C@H]1CCC[C@H](C)C1	2050440641	HYLORRUSGDAMOP-YSVLISHTSA-N	246.394	4.635	0	10	BJAE	
CCC1CCC(C[C@H](O)c2ccccc2C)CC1	2050441092	KDVAKNANLVYALX-DQPZFDDXSA-N	246.394	4.635	0	10	BJAE	
CCC1(CC)CCC(NC[C@]23CCC[C@H]2C3)CC1	2051593062	NTTVBZZTSYKNLC-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H]2C=CCCC2)CC1	2051623028	IQPQVIFCUUFZGX-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)[C@@H]1CCCCC12CCC2	2053430497	QHPWVJCRERRLPV-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CCCCCC1CC(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2059394246	SCGTVXBFBXBYIK-IKIPUTRUSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C2=CCC(C)(C)CC2)CC1	2061112462	GJXAHIOVMOQXPK-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
C=C=CCC[C@@H](N)[C@H]1CC[C@H](CCCCC)CC1	2061562609	GGSZMRYBBMSNFI-BRWVUGGUSA-N	249.442	4.822	0	10	BJAE	
C[C@H]1CC(CC(=O)C2CC(=C3CC3)C2)C[C@H](C)C1	2061735469	ZEUNSWHFIRTAJG-VXGBXAGGSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1CC([C@@]2(N)CCCCCC23CC3)C[C@H](C)C1	2062021920	ZAFFBNYAXBNHIX-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCOc1ccccc1C(C)(C)C	2062617656	ATWDUWZABVSOAX-KGLIPLIRSA-N	246.394	4.799	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NCCC12CCC(CC1)CC2	2065259074	LBJXSFLEVONIEN-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@H](CC23CCC(CC2)C3)C1	2065340851	ZUUBONYWZDOGHF-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
OC(C=C1CCCC1)(C1CCCC1)C1CCCC1	2065925827	XBQALUDSWSKBTH-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@@H]1CCC[C@H](C(C)C)N1	2066378151	MYDFTPSLTOVZNX-SJORKVTESA-N	245.410	4.649	0	10	BJAE	
CC=C=CCCN[C@H](CCCC)c1ccccc1	2067322696	MWWAEZCKUDSVPW-KGBNGXIASA-N	243.394	4.629	0	10	BJAE	
CC(C)c1ccc([C@@](C)(O)C2(C)CCCC2)cc1	2067505825	SCTNJBQLIQBROL-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@@H]2C1	2068801038	MJCNZJSKMOJSLB-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@]12CCC[C@@H]1C2)C1(C)CCCCC1	2070958779	LOTSWBDCZDLRJT-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC23CCCC3)CC1	2072805435	CCRQLFZJPFEQCU-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CNC23CCCC3)CC1	2072822714	XGLYZTAMMYWWGI-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](CCC(=O)c2ccc(F)cc2)CC1	2072877936	IXWMYEJZGGXQPN-JOCQHMNTSA-N	248.341	4.615	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(N)C2CC=CC2)CC1	2072882759	ZMLWCXDDLGIELA-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@@H](CC)NCc1ccccc1CC	2073343811	ZMPFOFCXCNJCOW-QGZVFWFLSA-N	247.426	4.698	0	10	BJAE	
CCC1(CN(C)[C@H]2CCC3(CCCCC3)C2)CC1	2074589949	HPQRHSYGYMNKPV-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CN(C1CC2(CCCCCC2)C1)[C@@H]1C=CCCC1	2075084629	OZUNECAYAALSDC-OAHLLOKOSA-N	247.426	4.530	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccccc1C1CC1	2077262628	WTYMHTFVRYRGSZ-GDBMZVCRSA-N	243.394	4.945	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079437144	ZTOWXBYJYRDPSU-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2C[C@H]2C2CCCC2)C1	2079664049	CUWIVQCYYPEBKD-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@H]1C[C@H]1C1CCCCC1)C1CCCC1	2079859436	BLINMLVUJCCOCH-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C=C2CCCC[C@H]2N)CC(C)(C)C1	2082985621	IMCJNIVHEHUMNP-OAHLLOKOSA-N	249.442	4.667	0	10	BJAE	
C[C@H](NCCCCCCC1CC1)C1(C)CCC1	2213575834	JSPVSBNQRZUEIW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](CN[C@@H](C)CC)C1CCC1	2217157136	QMMRZSMEHSGPLS-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC3(CC3)NC2)CC1	2220210072	VEQIMCVMKCHBSE-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)c1ccccc1C1CC1	2220956739	BHVVPDBIGXTPDF-GXTWGEPZSA-N	242.362	4.573	0	10	BJAE	
CCC1(C)CC([C@H](N)CC2(C)CC3(CCC3)C2)C1	2221013349	JFLABCWABNUTHU-SHARSMKWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)CC1(C)CC2(CCC2)C1	2221016133	LCYINROSFBWLFX-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC2(C)CC3(CCC3)C2)[C@H](C)C1	2221084196	REOQDQXGQLERRV-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	2222969142	ZGGOHVPFFGVHLT-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
NC1(CCCCCCCC2CC2)C[C@@H]2CC[C@H]2C1	2223154311	ITSSQTZGUUWFQF-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC2CCC2)CC=CC[C@H]1C	2223539932	SCPJWHVBBDHHPL-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@]1(CNC2CCC2)CCCCC12CC2	2223563724	WAWCHZQQKYOGPE-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)c1ccc(C2CCC2)cc1	2223699257	AUWRDAMMKRJMFN-GDZNZVCISA-N	245.410	4.636	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@@H](C)CC(C)C)N2	2224120049	IXGPZBNMSQYYAL-GOEBONIOSA-N	245.410	4.794	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@H]1CC[C@@H](C)C1)N2	2224121247	POUXTUUOMKZNNK-IVMMDQJWSA-N	243.394	4.548	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)c1ccc(C)s1	2244782923	OQPVZTJLTUJPIZ-TZMCWYRMSA-N	239.428	4.533	0	10	BJAE	
CC(C)=CCc1cccc(C2CCCC2)c1	2245225530	NJLCUYWGRNNVFL-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC1(C)CC(C)C1	2246525172	XAAOIMGRYNUDMH-MYMJJRTCSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@H]1CCCCC12CC2	2246602911	NVPLOQBVKRWBGW-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CCCC[C@@H]2C[C@H]2C)C1	2247120096	MAAVERGMUUULIY-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)CCCC[C@@H]1C[C@H]1C	2247122531	ULRFEQSQTJGWET-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC12CCC2)C(C)(C)C	2247398937	OCKHMLHNGJTKPD-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC1(C)C)[C@H](C)CCC	2247415776	OSKIZWNSRBOBQH-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](O)(CC)CC[C@H]1CCCC12CC2	2247667607	XDYFRIZLVMHIQX-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC(C)c1ccc(NC2CCC(F)CC2)cc1	2250169343	GPVHSZLCURQLEZ-UHFFFAOYSA-N	235.346	4.503	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@H](CC)CCC	2250362433	UUMKDDYEYKHWHF-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@@]12CCC[C@H]1CC2	2251168285	UUYMWNOLDGLOLF-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCC(CC)C[C@@H](N)C1CC(CC(C)(C)C)C1	2251539821	XIEMRIOHNUQFFT-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CCC1CC(C)C1	2251758194	XWAZXHAGKCWWON-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(-c2nc([C@@H]3CC3(C)C)cs2)c1	2252739585	JVCDJQITUYJBEG-LBPRGKRZSA-N	243.375	4.632	0	10	BJAE	
CCCC1CC(N)(CC[C@H]2CCCCC23CC3)C1	2253813571	UKKHLEFHPIUAFX-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@](C)(O)c1ccccc1	2254546420	XBSCYYVANPQHJL-INMHGKMJSA-N	246.394	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@@H]2CCC23CCC3)C1	2255008993	NAQXAFRKMQRYKV-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC12CCC2)C1(CC)CCC1	2255022877	GTFMUVWGHJNITP-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(CC2=CCCCC2)CCC[C@@H]1C	2255098498	DEVOVVVHZNZJKL-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CN[C@@H](C[C@@H]1CCCC12CC2)C1CCCCCC1	2255245394	LDDPKJRVRBNIJJ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCCC23CC3)c(F)c1	2255327808	FDXHXGCHIHKFFN-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CC1(CCNCC[C@@H]2CCCC23CC3)CCCC1	2255332470	PSZNUHODJYNGHZ-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H]2CCC[C@@H]2C)cc1	2256252712	LRCZXBANNFJBNF-XJKSGUPXSA-N	244.378	4.648	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@H]1C)[C@H]1C=CCCC1	2257298739	AAEQNSZLOIKSKY-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)Cc1coc2c3c(ccc12)CCCC3	2257502356	PKKADSYDOCNMQN-LBPRGKRZSA-N	242.362	4.900	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cccc(C(C)(C)C)c2)C1	2257907438	JWDDLIHZXPNPQR-XJKSGUPXSA-N	245.410	4.975	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC3(CC3)C2)cc(C)c1C	2258233274	LOGJNADHHWJEHP-OAHLLOKOSA-N	243.394	4.747	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)c1cccc(C(C)C)c1	2259431210	OYBKKYXHGSITRI-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CC(C)C1(C(=O)C[C@]23CCCC[C@H]2CC3)CCC1	2260587388	MPNZMSOAXSJWOD-GOEBONIOSA-N	248.410	4.742	0	10	BJAE	
c1ccc(C2CC2)c(NC[C@]23CCC[C@H]2CC3)c1	2260616575	GXSHPXHGMVGXMW-WMLDXEAASA-N	241.378	4.556	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@]12CCCC[C@H]1CC2	2260678357	KVMRTMCYIOLGKK-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](O)(C[C@@]12CCC[C@@H]1CC2)C(C)(C)C	2298717836	IAARZYMYJMLJJP-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H](O)CCC1CCCCC1	2298915389	IWWWEXSIDYUIGA-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC[C@@H](N)CC1CCCCC1	2300682071	VNENZBZLAASNCY-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCC12CCCC2	2300682450	ZBYKWALEERQCNY-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@@H](CC(C)C)C(C)C	2300896953	NVPWXNXZYYKBCR-JKSUJKDBSA-N	239.447	4.639	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)[C@H](C)C(C)C)c(C)c1	2301927784	DQJDZRDXFOACEW-CABCVRRESA-N	233.399	4.704	0	10	BJAE	
CC[C@]1(C)CCCN([C@H](C)[C@H](C)C(C)C)CC1	2301970408	GFVHINZXGPDNEH-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](C)C[C@H](CCC[C@H]1C[C@H]1C)NCC	2302620376	POZXEXJNCOUEOH-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303507841	HPHGTBSCBPTOKO-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCNCC[C@@H]1CCC(C)(C)C1	2304365537	YILKWSDSKSBRDP-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@@H](CCNC(C)(C)C(C)(C)C)C1	2304420780	PYNPPKHMJSODKW-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](N)CC[C@@H]2CCC(C)(C)C2)CC1	2304435260	HQMHWFVCPOIJLX-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCCCC1(C)C	2307825480	BKPHNDWPNJRIMF-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CNC(C)C)CC(C)C	2307830914	GRGNWEOYYSRKBW-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CCC)CNC1CCC1	2307844554	OCGFEKHNAJBUFO-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
O=C(CCCC1CC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309180655	HISAUDGXCMTNGZ-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(C[C@@]23CCCC[C@@H]2C3)C1	2311146841	XGANCKAABUBWJV-NCOADZHNSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CCCC[C@H]1N[C@@H]1C[C@H]1C1CCCCCC1	2311538932	OIELQVCRQCJINF-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)[C@]12CCCC[C@H]1CCC2	2311609729	NDWHUUBGXAEPNU-JKQORVJESA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316750232	RHCICJRHKNAHEF-NPJQDHAYSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@H](CN(C)CC2CCCCCC2)CC1	2316887232	VXXYRXOWDVUOKC-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
C1CCCC(C[C@H]2CCCNC23CCCC3)CC1	2317001673	ASXZPQQSYPPBBJ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)C[C@@H]2CCC[C@@H]2C1	2318547210	ZPICMJHVYBGOLY-BJWYYQGGSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C[C@H](N)CCCC1=CCCCC1)C1CC1	2318577242	VZCHOFOOQFWKTR-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
N[C@H]1CCCC[C@@H]1CC[C@@H]1C[C@H]1C1CCCCC1	2319001499	UJEUKAVBMSTZSM-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@H]1CC[C@@H]1C(C)(C)C	2320251395	ZVPOFTQUFIGZSY-ZFWWWQNUSA-N	244.378	4.640	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(CN)CCCC2(C)C)CC1	2320331948	UHWJAXAGEBQYHR-DOTOQJQBSA-N	249.442	4.668	0	10	BJAE	
CCNC[C@@H]1CCC[C@@H]1C[C@H]1CCC(C)=C(C)C1	2320391222	RKQMLCDLHRVFJX-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](O)[C@@]2(C)C=CCCC2)CC1	2320406121	KOLBMNGPCNTCBE-IKGGRYGDSA-N	248.410	4.620	0	10	BJAE	
CC(C)CC12CC([C@]3(N)CCC[C@H](C)CC3)(C1)C2	2321588071	CZLVDBOUXKXONR-OTBWCIGPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](O)c1cc(C)ccc1C(C)C	2327696311	CHDPIJADXMARQU-KMFMINBZSA-N	246.394	4.588	0	10	BJAE	
CC(C)c1ccc([C@H]2C[C@@H]2c2ccco2)cc1	32222420	DFAGZULMEQUZCH-CABCVRRESA-N	226.319	4.674	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc(C(C)C)c1	37231155	KKAKNDPEYKVZMK-CYBMUJFWSA-N	219.372	4.801	0	10	BJAE	
CCCC[C@@H](C)N[C@H](CC(C)C)c1ccccc1	37295188	KIBIMVAXRSBHJZ-NVXWUHKLSA-N	247.426	4.942	0	10	BJAE	
CCC[C@@H](C)C[C@](O)(CCC)c1ccccc1	87165763	UHFWSBCXPBIBQS-GDBMZVCRSA-N	234.383	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)c1cscc1C	87288807	SVBZJDXYOMIYEX-BXUZGUMPSA-N	239.428	4.533	0	10	BJAE	
O=C(CC1CCCCC1)c1sccc1Cl	87621098	DRAYSFNEFHCHBT-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2cc(C)ccc2C)C1	87983990	JOYPYMZHXCGSGN-GJZGRUSLSA-N	244.378	4.703	0	10	BJAE	
Cc1cccc(NCC2CCC(C)CC2)c1C	89575557	LMDOKMCUFMKBLY-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CC)C[C@H]1CCC(C)(C)C	103937364	DLXDANFFKYQWNW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)C1CCCC1	109809334	HYEFGAAYVIRHQC-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H](CC)CNc1cccc(F)c1F	110164887	PLLGRCMOAWBCKG-NSHDSACASA-N	241.325	4.593	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCC(C)(C)C2)c(C)c1	125002305	HCRGYGJHRFEGOL-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@](CC)(CNCC(C)C)C1CCC1	127806749	BQTIXITXXMUKNG-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)Nc2cccc(F)c2)c1	132416274	ZZZQKVWOVQDDJZ-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@H](C)CC(C)(C)C	133457174	GQVCKDIENPIQKG-UONOGXRCSA-N	227.436	4.602	0	10	BJAE	
C[C@H](N)c1cccc(SC2CCCCCC2)c1	149359005	WYRXEFXXCMZZPA-LBPRGKRZSA-N	249.423	4.521	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC(C)(C)C[C@H]2C)cc1	155832449	MQDBKEZMBCWBCD-UKRRQHHQSA-N	231.383	4.622	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCCC)C1(C)CC1	156413872	XQOGTPKJANNLND-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](O)c1cc2ccccc2s1	157386468	KPPJGEGMYWLESN-ZDUSSCGKSA-N	248.391	4.761	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C1(CC)CCCC1	162486979	GRBNVQWVYHNCSP-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC)c1cccc2ccsc12	163255998	KQQWQZYWNKGEKT-CQSZACIVSA-N	247.407	4.742	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C1(C)CCCC1	163413424	QQWCZAYAZXKDQW-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)c1cc(C)cc(C)c1	163435768	YPZWANOUCCJSHT-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C)cc1C	164027059	XJJAGKJZJWMSQK-ZMSDIMECSA-N	245.410	4.533	0	10	BJAE	
CCCCC[C@](C)(O)c1cccc(CC(C)C)c1	165415128	LZAITTCLFVRFJS-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)c1ccc(C)cc1C	166774980	YNMRQUFMFQQURQ-DJIMGWMZSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc(C(C)(C)CC)cc1	167196848	ROKGCPRIMOSZCS-CYBMUJFWSA-N	246.394	4.993	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CCC[C@@H](C)C1	225081210	YGWBHYQZLHUSJE-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1/C=C\CCNC(C)(C)C	227228152	HTGWTDSEBNUWOP-QMPFAZFSSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1ccc(C)s1	228743143	BEORJDNPCHWMPZ-CHWSQXEVSA-N	239.428	4.663	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@@H](C)[C@H]1C)c1ccccc1	251194939	UIKQWHSGHVLMLP-SRABZTEZSA-N	245.410	4.552	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@H](C)C2CC2)cc1	251333989	JBOOQNTVKODARP-OGHNNQOOSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1CCCC[C@@H]1NCC1CCCCCCC1	302351498	WOGJIWDWIYUUHT-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C)c([C@](C)(O)CCCC(C)(C)C)c1	305902115	CDRQZMSAHDRDFN-QGZVFWFLSA-N	248.410	4.727	0	10	BJAE	
CC(C)CNC[C@@H]([C@H](C)CC(C)C)C(C)(C)C	306105571	SDDGLHNHAGUBJP-CABCVRRESA-N	241.463	4.577	0	10	BJAE	
Cc1ccc(C(F)F)c2cc(Cl)sc12	306923263	ZGFATIJABFEDKU-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCc1ccc(SC)c2sc(Cl)cc12	307336027	BLKUSAWDPOJRAH-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCN[C@H](CCC1CCC(C)(C)CC1)C(C)C	310175044	UYDZORPEEQDOMA-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C1CCCC(N[C@H]2CCCC23CCCCC3)CC1	313000876	AQNHRBGXHPSXPA-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CNC[C@]1([C@@H]2C=CCCCCC2)CCC[C@H](C)C1	316725819	AEKJDFDAHNPXGZ-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
C/C=C/C[C@]1(CNC(C)(C)C)CC[C@H](CC)C1	317766197	BXBOPGPEFOEADG-YKNXIFKJSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@]1(CNC(C)C)CCCC[C@H]1C	318012608	DUJQNJIQSYWHOF-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCCC23CCCC3)[C@@H]1C	328306842	VVEACJNSCDXKEL-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@H]1CC[C@H](CC)CC1	328491767	XUTJPFXPSYPULT-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CN[C@H]1CCCCC12CCCC2	380116237	LSYRUYOPDDAVFF-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCc1ccccc1C(=O)C1(C)CCCCC1	384519316	JMHSLDDPIDGFQH-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CC[C@H](CC)CC2)cc1	385683751	CXCIPYBGOUGJEI-KOMQPUFPSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@@H]2CC23CCCCC3)CC(C)(C)C1	387266088	LOZNBLRHOPXCKD-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC12CCC2)C1CCCCCC1	394745441	WFSYHWHDFNELPQ-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
C1CCC(CCCN[C@@H]2CC3CCC2CC3)CC1	395147132	GEOORILGIMOEAO-OFLPRAFFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](Nc3ccccc3Cl)[C@H]1C2	400423205	PIZLQFXDDWGJQB-DMDPSCGWSA-N	249.785	4.577	0	10	BJAE	
C[C@H](CC(=O)CC1=CCCC1)CC(C)(C)C	401084985	QOGINAQXJZTSBF-GFCCVEGCSA-N	222.372	4.518	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@H]1CCC[C@H](C)C1	402132777	GFSUEAOOZRTYGM-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC(C)(C)C1CC1	405708654	DMAWPWOQVHQUGA-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC1CC1)C(C)(C)C(C)(C)C	405719292	HKEFRVUUJPHVJG-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CC(C)(C)C1CC1	405733468	SWHBRYXCWJFVFX-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CCC(C)(C)C2CC2)CC1	406056183	KKVLLTWNYJGPOY-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(OC(C)C)ccc1N[C@@H](C)C(C)(C)C	687710933	LMCDOLQJWORFEX-ZDUSSCGKSA-N	249.398	4.629	0	10	BJAE	
CCc1ccc(CC)c(NCC2(C)CCCC2)c1	689504339	JJDXIXUREJDMDQ-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CCSc1cccc(N[C@H]2CCCC[C@@H]2C)c1	689702430	PWVKOANHWCMEMK-WFASDCNBSA-N	249.423	4.789	0	10	BJAE	
CCC1(CNc2ccc(C3CCC3)cc2)CCC1	690157551	DTVKPDRPJFLRBS-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CCN[C@H](CCCC1CC1)C1CCC2(CC1)CC2	695607975	VIACTDPVQRALKQ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCC(=O)CC(C1CC1)C1CC1	696604388	ZUEKUPHWSDXPPY-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C1(C(C)C)CC1	697559276	QLMGDYJTIDYXPT-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)CCC=C(C)C	697768300	YDEJTBJRXAWSBY-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@]1(C)CC1(C)C	702186346	MYBJDQHFIYWDFF-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@](N)(C[C@@H]1CC2CCC1CC2)C1CCCCC1	704879253	FNACHWLDAFRZGS-NDTCATRNSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(CC)C[C@@H](C)C1CCCCC1	704973289	OWNBGFXAPXQWLT-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCc1ccc(N[C@@H](C2CCC2)C2CC2)cc1C	705321915	AMQVVQNGDXXDEL-KRWDZBQOSA-N	243.394	4.548	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H](C)CC(C)(C)C	708286792	LVXDCPLXJFADFH-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H](C)CC(C)(C)C1)c1ccco1	708313218	ZWEFWZIGXWPSKV-MJBXVCDLSA-N	249.398	4.535	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H](C)[C@@]12CCCC[C@H]1C2	708879429	NQFQXPPEYVHHGY-JHNDHUHGSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC[C@@H](C)CC(C)(C)C)C1CCCC1	709109561	WUHHPTXYQSRFBW-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C[C@@H](C)CC(C)(C)C)C1	709191898	UTEWSBHVOFUKKU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@]1(O)C[C@H](C)CC(C)(C)C1)C(C)(C)C	710734399	DSKBJBHXANHDCH-DVOMOZLQSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H]1CC[C@@H](CC)C1	713175543	RHIXQQDUAAALSD-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	713672080	DJINSGDQFMRHKF-RLOKBPJSSA-N	246.394	4.684	0	10	BJAE	
C=C/C=C/CCCC(F)(F)c1ccccc1	713676191	XMWXFYAXHGFKSF-ONEGZZNKSA-N	222.278	4.691	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	714427090	XQNGCSJDZKMLBS-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CCCC(C)(F)F	718584970	PSAGBHXDEHRHDP-JSGCOSHPSA-N	248.357	4.533	0	10	BJAE	
CC(C)=C(C)CCc1ccccc1C(F)(F)F	718665915	FNMLYCMXCGCNPN-UHFFFAOYSA-N	242.284	4.994	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](NC)c1ccc(C(C)C)cc1	723063559	WDJYMHMJYXSJRE-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1c(C)csc1C	724960671	CWGFQVUULUYUJK-CQSZACIVSA-N	239.428	4.581	0	10	BJAE	
CC(C)c1ccc(Cl)cc1OC(C)(C)C	829085621	DRDAHBGNSMMBEM-UHFFFAOYSA-N	226.747	4.641	0	10	BJAE	
CC(=O)c1cc(-c2cccc(C(C)C)c2)cs1	1244623830	GIWKGZISKWAREQ-UHFFFAOYSA-N	244.359	4.741	0	10	BJAE	
C=C/C=C\CCN1CCC[C@@H](C)c2ccccc21	1473364402	WBIGUEJXSWIFRW-FOSCPCJNSA-N	241.378	4.523	0	10	BJAE	
C[C@H](CC1CCCCC1)NC1CC2(CCCC2)C1	1474480079	DIXHHRZGLFFMCP-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
C1=C[C@H](SCC2C[C@H]3C[C@@H]3C2)CCCCC1	1559446181	YHNACASKGMVZIA-KKUMJFAQSA-N	236.424	4.655	0	10	BJAE	
CCCC[C@H](CC)CN1[C@H]2CC[C@H]1CC1(CC1)C2	1620435442	YAOIDRDYRMJAPK-JYJNAYRXSA-N	249.442	4.610	0	10	BJAE	
CCC1(CC)CCC(NCCC=C(C)C)CC1	1620900679	XXSVEXBFGWATAL-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
C[C@H](SC/C=C\Cl)c1ccc(Cl)cc1	1640885877	AFFIUTZRMZJILD-HKQQGCEUSA-N	247.190	4.887	0	10	BJAE	
CC(=O)c1ccc(CCCC(C)C)cc1Cl	1901885578	XKVZNTLUWXPIFL-UHFFFAOYSA-N	238.758	4.521	0	10	BJAE	
CCCCC[C@@](C)(O)SCC1=CCCCC1	1904891420	OWLFMTSLNPQDHR-AWEZNQCLSA-N	242.428	4.509	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@H]1C[C@H]1C(C)(C)C	1910697179	VZNYEYZCQQIYKH-BFHYXJOUSA-N	240.431	4.636	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)c1csc(C)c1	1911916968	UHTKKYPOYLVBGO-OAHLLOKOSA-N	249.423	4.620	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H]1CCC2(CCCC2)C1	1916417952	QSSSCGRHYJUPFQ-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@]1(CCC(C)(C)C)C=CCCC1	1916563517	KWYNKKWHEZPCAJ-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](O)(CC)c1ccc(C(C)C)cc1	1919516295	URIOYFCJAKVYNS-MRXNPFEDSA-N	234.383	4.598	0	10	BJAE	
CCNC[C@@]1(CCC2CCC2)CCCC12CCC2	1921636921	RNDFLOJAORCUOT-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H](C)C1CCCC1	1924139156	ODBILTWPQXEVPF-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCc1ccc(C[C@H]2C=CCCCC2)cc1	1925815724	ZINFKPZHPFWPBK-HNNXBMFYSA-N	214.352	4.538	0	10	BJAE	
Cc1cccc(C)c1CC[C@H]1C=CCCCC1	1925838868	WYGQZXFJSHUTIA-INIZCTEOSA-N	228.379	4.982	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C[C@H]2C=CCCCC2)CC1	1925903582	UMYFVDKQQQIAKF-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CC(C)CCC[C@@H](C)NC[C@H]1C=CCCCC1	1925919955	HYOZONZLSWFTEL-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](NCCC)C1(CC)CCC1	1940111077	LRZJITJSDVRBMX-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)[C@@H]1CCCCC1(C)C	1942653633	SJDJRQQTJNKMJM-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)c2sccc2C2CC2)C1	1945812938	XSANKVKKNGDILV-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H]1CCC	1947464370	QEQUKNLNZDUNQZ-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1C[C@H]1CNC1CCCCCCCCC1	1947879246	OPVLXFAJVKXWOX-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
N[C@@H](CCCC1CCCCC1)CC1CCCC1	1949861164	CINGBQPNMYZODO-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](O)C2CCCCC2)CC1	1950913279	GBOKDXCQIYPFFP-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H](CNC2CCCCC2)CC1	1950921293	DPVAMRMQCODUON-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC[C@H]2CCCCC23CCC3)C1	1966064032	FIPPJMRXKIYFEY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2CCCCC23CCC3)CC1	1967793467	HGZQKWVJWKQCDM-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1CC[C@@H](C)C1	1968370294	FSTVXHJMZLBXRF-ZIAGYGMSSA-N	232.367	4.625	0	10	BJAE	
CC1(C)CCC[C@@H](NC2CC3(C2)CC(C)(C)C3)C1	1969844369	PTQHSRBKGNXGRF-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)CCC(C)(C)C)C1	1970302644	MAMMZBSHHDJFCG-CYBMUJFWSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCC[C@@H](c2csc(C3CC3)n2)C1	1980287195	SRYMEZIIJLPUNQ-LLVKDONJSA-N	235.396	4.704	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC1(C)CCCCC1	1989801059	NIDVZJAFOWIZQC-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](N)CCC1CCC(CC)CC1	1989813201	ZFVAIOSNPRMBAZ-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@H](CC1(CC)CC1)NCCC	1990644869	NVXQFPPCISNGCG-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CC)N(C)[C@H](C)CCC(C)C	1990903849	ONEBPZJKQDJQHB-HUUCEWRRSA-N	227.436	4.712	0	10	BJAE	
CC(C)Cc1csc(C2CCCCCC2)n1	1995444419	KYXZSRXWQUKBFF-UHFFFAOYSA-N	237.412	4.779	0	10	BJAE	
C[C@@H](NC1CCCCCC1)C1(C)CCCCC1	1995992377	XROLMIHHYUVCHZ-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)CCC1CCC1	1998032286	NGUXHGLGIQOZQM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@H](C)CC1=CCCCC1	1998388021	WVRKHPAGNWAXEI-KGLIPLIRSA-N	237.431	4.680	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCCC(C)(C)C	2000189011	PGBDOCXGLWQGJU-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCCN(CCCC)CCC[C@H]1CC1(C)C	2000901459	YZSQVWMZKLZVLH-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CC[C@@](O)(C[C@@H]1CC12CCCCC2)C(C)(C)C	2001262683	PIFILBBPSFGRAI-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2001495086	REFCZZWALSZBHP-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCCCCN(C)[C@@H](C)[C@H]1CCCC(C)(C)C1	2002981680	DFSBPACKODHBED-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(N)[C@H]1CCC[C@@H](C)C1	2003013972	AFLGNHPXEZGPGA-UGUYLWEFSA-N	239.447	4.602	0	10	BJAE	
CC1(C[C@@H](N)CCCCCC2CC2)CCCC1	2003179455	OLPHYGVASMPPBF-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H]1CCC2(CC2)C1	2003222879	ZTPWBTXYAXLVFL-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1CCCC1(C)C	2004225455	DCXGKFPCVVJGKB-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CN(C)[C@H](C)C1(C)CCC1)CC(C)(C)C	2004814180	FWBTTWMMLIJAJK-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC2(C)C)CCCCCCC1	2004937575	QUXGLGARNIMTSU-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CCCCC12CC2	2005532202	UPGZETDIHYLXHH-ZDUSSCGKSA-N	249.785	4.783	0	10	BJAE	
CC[C@@H]1C[C@H](O)C[C@@H](CCC2CCCCC2)C1	2006634458	GQIYUTQZOSGKHS-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@H](N)C1(C)CCC2(CC2)CC1	2007686908	JZIPOASGORSBDW-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCC1CC(CC(=O)[C@@H]2CCC[C@@H](CC)C2)C1	2007769469	PDPXGTCBRCQPBY-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC)CC(N)(CC2(C)CCCCC2)C1	2009300241	VQJBLEFNQNLWSI-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@H]1CCC(C)(C)CC[C@@H]1NCC	2009411438	PVYJPDAEDDZAIX-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCC1(N)CC2(C1)CC2(C)C	2012191808	FMELCVVNIJVCHE-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)NCC(C)(C)CC(C)C	2013266588	IHZBIYMFUZZMCH-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CC[C@](O)(CCCCCC1CC1)CCC(C)C	2013271829	WBMQLHYJAGWZKB-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC(C)C[C@@H](C)N(C)CCC(C(C)C)C(C)C	2015393170	ASTFPEQGYKIYAF-OAHLLOKOSA-N	241.463	4.671	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](CNC(C)(C)C)C(C)(C)C	2015396900	HFVYDBLORFGFFX-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CC(=O)CC[C@@H]2CC2(C)C)CCC1	2015588850	JVJFUYLDLUJNLZ-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@@H](NCC)C(CC)CC)CCC1	2015641226	BMKYUTYQMWKTCC-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](Nc1cccc2ccsc12)C1CC=CC1	2016345893	RQQXLLVJMWIUGQ-LLVKDONJSA-N	243.375	4.668	0	10	BJAE	
CC(C)C1(C[C@H](N)C2CCCCCC2)CCC1	2017143085	ZZDQXTQQVXSQFY-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](CC1(C(C)C)CCC1)NC	2017146303	RFQDJHUIIAHYIJ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCCCC(C)C)CC[C@@H]1C[C@@H]1C	2017242400	LLOVYTZYNFRDOB-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@H](N)C2(C)CCCCCC2)CC1	2018998785	WJWUEKQRULLBDM-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)CN(CC)[C@H]1CCCC[C@H]1CC	2019203083	ZGYWDEMCXDPWLG-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CCCN(C1CCCCCC1)[C@@H](C)[C@H](C)CC	2020502526	UQHNRNQSJIVVPS-CABCVRRESA-N	239.447	4.856	0	10	BJAE	
CCC[C@H]1C[C@H]1C[C@@H](O)[C@H](CCC)CC(C)C	2022459764	LATKYCXJXQOGHJ-XUWVNRHRSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1cccc(SCC)c1	2022490733	VLUKXVDBIHKYGE-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CC1(C)CC(=O)[C@@H](CC2(C(C)(C)C)CCC2)C1	2023633108	SDIQCTFAADYYJQ-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC(C)NCC[C@H](C)C[C@@H]1CCCC(C)(C)C1	2024095249	QBXVQOLIIZBUCP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)C[C@@H]1CCCC(C)(C)C1	2024097127	WWXPJSIEFRNGDA-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@](C)(O)CC1CC(C)(C)CC(C)(C)C1	2024120783	ZCRLLEVQOZZMGB-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@H]1CCCC(C)(C)C1	2024123137	KSSMYONTMYSDJL-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC1=CCCC1)NC	2026166608	LBDALOGBGZHYSI-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
C[C@H](Cc1nc(C2CCCCC2)cs1)C1CC1	2026606600	FOEIBRCLQXTHCF-LLVKDONJSA-N	249.423	4.779	0	10	BJAE	
CCCc1ccccc1CN[C@@H](C)CCC(C)C	2027901156	HTUGWJHKPZIELM-HNNXBMFYSA-N	247.426	4.553	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)c1ccc(C2CC2)cc1	2028598773	UQSRQMLQQUSIGR-MLGOLLRUSA-N	245.410	4.636	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC1CC[C@H]2C[C@@H]2CC1	2028973792	XMCUQKUNMFBNTM-DZKIICNBSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](NCC)c1ccc(C2CCCC2)cc1	2031750223	PUHNZMQTLRHGRE-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CCCc1ccccc1[C@H](NC)C(C)(C)C(C)C	2032338167	DARIFBNLALPUPS-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CCC[C@@H]1CNCCC1=C[C@H](C)C1CCCCC1	2032536575	FYTVBSCVLMZFEK-WMLDXEAASA-N	249.442	4.539	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)[C@]12CCCC[C@@H]1CCC2	2035561458	LRZMDNCOZNSNQF-INMHGKMJSA-N	246.394	4.662	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)C[C@@H]1CC=CCC1	2037160734	NJENDGJSZRJREJ-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CC[C@@]1([C@H]2CCC3(CCCC3)C2)CCCCCN1	2037588908	DZMIJGJHXNFWOX-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](C1CCCC1)[C@H]1CCC2(CCCC2)C1	2037589561	GBICYSFVQPOFKI-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C2(CNC3CC3)CCCCCC2)C1	2037696644	ARUNUYUYRYSAJP-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@H]2CC[C@@H](C)C2)cc1	2040138627	PPWAPLQIDQVCQN-KGLIPLIRSA-N	244.378	4.819	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(C[C@@H]2CCC=CCCC2)C1	2045316452	DREOVUOSUOCNQP-ZACQAIPSSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2CC23CCCCC3)C1	2045459413	CPPPVPKUNZFXTK-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)c1ccc(C)cc1C	2045730857	SQASJRCZVWMRNT-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](c1ccccc1)C(CC)(CC)CC	2045814947	DVFRKOVQAOFEAD-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CC[C@H]1CC[C@@H](NC2CC3(CCCCCC3)C2)C1	2046309371	AKBXITUUTZBPEO-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C1CC(C(C)C)C1	2048584089	VWSFSTRUBKDNMS-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1CC([C@@]2(N)CCCCC23CCCC3)C1	2048608417	OMXRIMKCQSPBHY-DQPZFDDXSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CC2)C1)[C@H]1CCC[C@@H](C)C1	2049539780	JADJMYGNDGVMMB-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@@H]1CCC2(CC2)C1	2049863505	YHMUBEKYUCELSA-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CNC[C@@]1(C)C=CCC1)C1CCCCC1	2049979007	KKVBPONHIGIHHB-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCCc1ccc(C(=O)[C@@]2(C)C=CCCC2)cc1	2050009885	PABQZKHNXSAJEA-KRWDZBQOSA-N	242.362	4.568	0	10	BJAE	
CCc1cc(NCC2(C)CC(C)(C)C2)ccc1F	2050104081	LTPDNOVRIYCNNK-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
CC(C)=CC[C@](C)(N)c1ccc(C(C)(C)C)cc1	2051399539	HRAYZWCGUJOASY-KRWDZBQOSA-N	245.410	4.514	0	10	BJAE	
CCCCc1ccc(N[C@H]2CCCC[C@H]2F)cc1	2055157892	CIJSMUMLMNHJPN-CVEARBPZSA-N	249.373	4.722	0	10	BJAE	
CC1=C(C)[C@@](N)(CC2CCC(C)(C)CC2)CCC1	2055608146	PRGDBKZRJJTUIJ-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H]1CCCC[C@@H]1C(C)(C)C	2055671006	CROHLFSDYRQJLC-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C2(C)CCC3(CC3)CC2)C1	2056556289	GYDULMWAIQLXJJ-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)CC1CC(C2CC2)C1	2056665847	JCJGXOCABDIHGY-ZALBZXLWSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C[C@]2(N)C[C@H](C)CCC2=C(C)C)C1	2056711821	CCVOUBVWYFYVAF-ARAOSMHQSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)c1ccc([C@H](O)C=C2CCCC2)cc1	2056847916	JMNNRZLWZIAEPQ-MRXNPFEDSA-N	244.378	4.518	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H]1C[C@H]1CC(C)C	2056875112	CVWPSWWGPKTAMC-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(Nc2ccc(C3(C)CC3)cc2)C1	2058828367	TXTYXFIWOFYVFE-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@H]2CC[C@H](CC)CC2)CC1	2061149081	ACWPNZHTEFHTNH-MUIFIZLQSA-N	249.442	4.667	0	10	BJAE	
O=C(CCC[C@@]12CCC[C@H]1C2)CC1CCCCC1	2061598134	WXZJJXWVUJOQQL-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)C[C@]12CCC[C@@H]1C2	2061618885	XILBQROGTUUTBD-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(NCC[C@@H]2CCC[C@@H]3C[C@H]23)CCC1	2062313791	IMRAIXSAJVNIGN-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCC1(N)CC(C2CCCCC2)C1	2062650751	GIPDKNQRROKSPN-DFULUXCASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2C[C@H](N)CC3(CCC3)C2)C1	2063643933	XLIGBDKRVKWEAW-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC1(CCNCC23CCC(CC2)CC3)CCCC1	2065300024	HYUPFGVDBAMYNU-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2CC12CCC(CC1)C2	2065333794	WTAGKJUWUSDBPC-XOYHFGRZSA-N	241.378	4.556	0	10	BJAE	
CN[C@H](CCCCCC1CC1)c1cc(C)c(C)o1	2068912442	NWCQOQIMRUHCHU-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
c1cc(NC[C@H]2CC23CCC3)cc(C2CCC2)c1	2069199191	BSTMHBPGVCDPSY-OAHLLOKOSA-N	241.378	4.556	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C2(CC3CC3)CCC2)C1	2069504257	XPPMAEKVGROPKL-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C[C@]1(C)C[C@@H]1C)c1ccccc1C(C)C	2070866802	WIUCRJYMBKMUJN-XKQJLSEDSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)CCCCC23CC3)CCC1	2071941718	WWJGJSRVVXJKED-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNC2CC2)CCCC[C@H]1C	2072407107	CXHMUBCFOHKPLD-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1C[C@@H]2CCCC[C@@H]21	2072423685	HZKZEWMRFSVNNC-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1	2072700549	MWUPQJSVFXIJON-ABPIDSFRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@](C)(N[C@H]2CCC23CCCCC3)C1	2073065220	CSWFIUPAXADSPY-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CC)Nc1nccc2ccccc12	2073292835	AXBNXUZQMHPIQN-AWEZNQCLSA-N	242.366	4.616	0	10	BJAE	
CCCCc1ccc(NCC2(CCF)CC2)cc1	2074648952	OTFLRFFKNPCVLY-UHFFFAOYSA-N	249.373	4.581	0	10	BJAE	
CC1CCC(N(C)C2CCC3(CCC3)CC2)CC1	2075114203	KEYNJDDCASXDLN-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CC(C)(C)NC[C@]1([C@H]2C=CCCCC2)CC1(C)C	2075362942	NYBPXHOJTOZAHJ-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(CN(C)[C@@H]2C=CCCCC2)CC1	2075410988	ZMRMESKIVAVYJG-OFLPRAFFSA-N	249.442	4.633	0	10	BJAE	
N[C@H](CC1CCC1)C[C@H]1C[C@@H]1C1CCCCCC1	2079629940	UTBXJWNKOVJJEE-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CCC)[C@H]1C=CCCC1	2079630082	VLCMGGGXWFKTSR-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1C[C@@H]1C(C)C	2079810158	AJJCKABVTKQFHQ-HZPDHXFCSA-N	246.394	4.789	0	10	BJAE	
O=C1CCCC[C@@H]1C[C@@H]1C[C@H]1C1CCCCCC1	2079841589	JTGLLKXQOZPMOC-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
O=C(CC1CCCC1)C[C@H]1C[C@H]1C1CCCCC1	2079851554	LVMFJEBAVZRVFU-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
CC(C)(CC(=O)C[C@@H]1C[C@H]1C1CCCC1)C1CC1	2079862548	HTIOLZOZCNNYCH-CJNGLKHVSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)c1ccccc1CC	2081207841	YKMQSJAMHIQCEJ-HUUCEWRRSA-N	247.426	4.726	0	10	BJAE	
CCCCC[C@@](N)(CC)c1scc(C)c1C	2210562286	GCDPICRYMOHWBH-AWEZNQCLSA-N	239.428	4.509	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@H](N)CCCCCCC1CC1	2213574320	RWPWAEDJSSJRFY-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C(CCCC1CC1)CCNC1CCCCCC1	2213581983	CMDZQNFPDMXCJE-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
C(=Cc1ccccc1)C/C=C/c1ccccc1	2213823539	UORWAUAKEOUUND-OZMOGXRNSA-N	220.315	4.803	0	10	BJAE	
O[C@@H]1CCCCCCC[C@H]1CCCCC1CC1	2214570070	QLTKBAWCUAGYAE-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)c1cc2ccccc2s1	2215058169	CEHDFOWZIGLKBH-GHMZBOCLSA-N	244.359	4.520	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)[C@@H](C)CCC(C)C)CC1	2215813125	MXHWJHQTOZBGHH-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1	2215823345	HVTVGYBVHPGIFL-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
CCC[C@](C)(CCC(C)(F)F)CN[C@H](C)CC	2217126469	UEDDURDXDMCKBD-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC=Cc1ccccc1	2219095838	PIOJEKQPMIJSBF-MRXNPFEDSA-N	245.410	4.634	0	10	BJAE	
CCCC1([C@@H](CC2(C)CC3(CCC3)C2)NC)CC1	2221024264	ZRYVMMWZSVXKQN-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)[C@]2(C)CC=C(C)CC2)CCC1	2221613082	BVJDSLWGMUTOKR-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC1=CC[C@](C)([C@@H](O)C[C@H]2C=CCCCC2)CC1	2221635231	ISIUMCMKVFJVRF-ULQDDVLXSA-N	248.410	4.620	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2CCC3(CC3)C2)CC1	2221640101	IWUGUYGHFHSUNZ-HOCLYGCPSA-N	246.394	4.662	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1	2222955874	XLJPRIGCCCAWAA-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1CC(=CCCCCCCC2CC2)C12CCC2	2223118024	AXLUGFCXEOHHHO-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1ccc2occc2c1	2224162152	IFUMZVJXLBVOKE-AWEZNQCLSA-N	245.366	4.649	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)c1ccc2occc2c1	2224177911	KCXDKOMXJRXFBP-WFASDCNBSA-N	245.366	4.520	0	10	BJAE	
Cc1cc(C=O)cc(-c2ccc3ccccc3c2)c1	2228991753	GWBPCJCMPMFBOS-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CCCC[C@](C)(N)CC[C@H]1CCC[C@@H](C)C1	2242816042	MBHKLJBNTUTKHY-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H](CC)CCC	2244774075	FGHQYAIUFJCSQJ-ZIAGYGMSSA-N	226.404	4.988	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H](CC)CCC	2244786223	SVQGQTPKZYOLMF-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CN)CC[C@H](C)CCCC(C)C	2244843407	OTQCTEOIQVGZQY-HUUCEWRRSA-N	227.436	4.604	0	10	BJAE	
Cc1scc(C(=O)C23CCC(CC2)CC3)c1C	2246415240	CEXWPDZWWLZACO-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2C=CCCC2)C1	2246667308	XXQQJDYSPFLRDR-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC[C@H]1CCCC12CC2	2247646284	WCYIVDIKNZMHQY-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC)c1cc(C)c2sccc2c1	2248577304	JCFZWVSQIYPOHK-CQSZACIVSA-N	247.407	4.660	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)[C@H]1CCCC[C@H]1CC	2250364108	CYKIKHSMVOWOLY-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)c1ccoc1	2250466847	KACHADQWONGSRP-ZFWWWQNUSA-N	238.371	4.556	0	10	BJAE	
Cc1cscc1C(=O)C[C@]12CCCC[C@@H]1CC2	2251157113	FZSAMAUWZZKKSB-IUODEOHRSA-N	248.391	4.600	0	10	BJAE	
CC(=O)[C@H](CC1CC(CC(C)(C)C)C1)C(C)C	2251607908	JYSHOQDNIRGVMC-YMAMQOFZSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H]2[C@H]3CCCC[C@H]32)C1	2253934108	GAJYYFDQYYKBEE-LBKYZSNHSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(NCC2CC3(CCCC3)C2)c(F)c1	2254085083	YJXYMMCXQWYNGZ-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C1CC(=C2CCC2)C1	2254569709	RYRJQJXJGDWZRL-JSGCOSHPSA-N	246.394	4.662	0	10	BJAE	
Cc1cccc(C)c1C(=O)CCCC[C@H]1C[C@H]1C	2254604997	KZJBTUWCNHUQBT-CABCVRRESA-N	244.378	4.703	0	10	BJAE	
CC(C)(C)NCC1(C[C@@H]2CCC23CCC3)CCC1	2254836056	VUXVQJSFCSMPLN-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC2CCC2)CCC12CCC2	2254852199	BKYFXAORDKKTIC-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2C=CCCCCC2)cc(C)c1C	2258235310	YGSVKCKJOGPHQO-MRXNPFEDSA-N	243.394	4.913	0	10	BJAE	
Cc1ccc(OC[C@@]23CCCC[C@@H]2CC3)c(C)c1	2260644579	BTJASRUUEFIIQQ-WBVHZDCISA-N	244.378	4.653	0	10	BJAE	
CC(=CC1CC(CC(C)(C)C)C1)C[C@@H]1CCCN1	2261306071	ZUSJODKGGWMDKL-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCc1ccnc2ccc(F)cc12	2261353249	KXROOESZVJBRBU-UHFFFAOYSA-N	243.325	4.663	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)C[C@@H]1C[C@H]1C(C)C	2297876247	JUSYJNDXEQGNOD-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298387193	RMGYFXGNOHLNNM-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@@]1(C)CCC[C@]1(C)O	2298474306	AYMRSGADGPCRMA-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC1(C)CCCCC1	2300504996	HLOBITNFCBDUJE-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@H](N)C1(C)C(C)(C)C1(C)C	2300684397	UEGSZGCLBTXTKY-ZDUSSCGKSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCCC[C@H]1CC	2300705504	FDYVWKBJYACDIP-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
Cc1ccc(-c2nc([C@@H](C)C(C)C)cs2)cc1	2301915361	PLDZHXXBYAUYPZ-LBPRGKRZSA-N	245.391	4.878	0	10	BJAE	
CCc1cscc1NCC1CCC2(CC1)CC2	2302892932	QKWGCMJESACGIR-UHFFFAOYSA-N	249.423	4.693	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303508873	SSLRIJKUSQBACX-BYNSBNAKSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(N[C@@H](CC2CC2)C2CC2)cc1Cl	2303737810	JDRDPBSIKQMCIK-HNNXBMFYSA-N	249.785	4.639	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2CCCCC(=O)C2)C1	2304426396	VEUOIUNOKHFVGD-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@@H]1C[C@H]1CCC	2307898010	GTANFRYXMYNAKD-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(C)C(C)(C)C1(C)C	2307899597	QZMJAGIAJSPJGU-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)C[C@H](CNCC(C)C)C(C)C	2307924765	FFXOGZHIIVJYID-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC[C@@]23CCC[C@@H]2C3)C1	2310379956	LCTAELAXLMQVSQ-LJIGWXMPSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1C[C@@H]2CC[C@H]1C2	2312903267	NXEOFULVQATUPL-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@]23CCC[C@@H]2CC3)CC1	2313289382	DTPZGYVECRSWMV-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)C(CC1CC1)CC1CC1	2313660972	UASLAQMGXVTFLC-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C2CCN[C@]2(C)CC)CC1	2315203341	QGLLWQYVVJUNSJ-VMBOVVBDSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC=C1CCC[C@H]1[C@H]1CCCCN1	2316251768	KLVBWTLBUDCBPX-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1c(C)oc(C)c1C	2316541035	YFPTXISULBYBFQ-OAHLLOKOSA-N	249.398	4.602	0	10	BJAE	
CCc1ccnc(CC=C(C)CCCC(C)C)c1	2316573953	QZTSIRQNNMJTDF-UHFFFAOYSA-N	245.410	4.959	0	10	BJAE	
CCC1CC(CC(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316792397	SHJIDEIXMFJKTJ-YLZDHBLKSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(OC[C@@H]2C[C@H]3CCC[C@H]2CC3)c1	2316886172	POWSGGJJDBHHSE-JYJNAYRXSA-N	244.378	4.590	0	10	BJAE	
CCC[C@H](CC[C@@H]1C[C@H]2C=C[C@H]1CCC2)NCC	2317156557	VQXBZBPTMJTKDJ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)CCCC1=CCCCC1	2318538895	NLBVIFHLQPEGCP-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(NCCCC2=CCCCC2)cc1F	2318552025	UVCUWISYBOKITG-UHFFFAOYSA-N	247.357	4.827	0	10	BJAE	
CCCN[C@H](CCCC1=CCCCC1)C1(C)CC1	2318589997	WMHJXUOIGMSMJS-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCCNC[C@@H]1CC[C@@H]1CCCC1=CCCCC1	2318593938	ZVVADPREHPJUOI-IRXDYDNUSA-N	249.442	4.683	0	10	BJAE	
CC(=O)[C@@H](C)C[C@H](c1ccccc1)C1CCCC1	2319671295	XPPOEVLUWGGFLW-SUMWQHHRSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@@H]2CC[C@H]2C2CC2)C1	2319735728	ZAEIQIBVKQJJHB-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1NCC[C@H]1CC[C@H]1C1CC1	2319747527	DPOITDGBSNXVDC-CVEARBPZSA-N	243.394	4.542	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@@]12CCC[C@H]1CC2	2320317529	KBYQPPHSNBVEJY-SZOQZIPDSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)C[C@@H]1C[C@H]1C	2320329793	VGSNGPBLALGSCS-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@](CNCC(C)C)(C2CCC2)CC1	2320388103	MYPYXZXYUYPTEL-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H](CC1CC1)C1CC1	2320520073	DJUSWQBLBQRSIC-OIISXLGYSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1	2321084667	JODAXAVTXJBGNN-TYNCELHUSA-N	249.373	4.625	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCC(C)(C)C2)c(F)c1	2321527669	HFQJTJZXVVPAEU-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
CC(C)CC[C@H](C)NC1CCCCCCC1	20549982	YVNSDIXSNRSDBL-AWEZNQCLSA-N	225.420	4.514	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)(C)C)c1ccccc1	35540475	IWEKJTPBOIHNDT-ZBFHGGJFSA-N	247.426	4.800	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCC[C@@H]1CC	37031251	BCDIGLNIKSTYLZ-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(C)c([C@H](C)N[C@@H](C)CC(C)C)cc1C	37260627	LHLCPVFJYHWIKC-HOTGVXAUSA-N	247.426	4.697	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCCC[C@@H]1O	71110173	XAGGYXCMJJRJIF-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
C(/C=C\c1cccs1)=C/c1cccs1	77039945	SEIGKYBFMXSLAH-IOBHVTPZSA-N	218.346	4.536	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CCCC1(C)C	86855810	WLJXJPPEJUWWNH-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
CCC[C@H](C)CC(=O)C1CCCCCCC1	87689970	AYPPAZGWSBCZSX-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC(C)C[C@@H](Nc1ccsc1)c1ccccc1	90866503	VZMXQCYVDLAVAG-OAHLLOKOSA-N	245.391	4.947	0	10	BJAE	
CC[C@@H](Nc1cccc(OCC(C)C)c1)C(C)C	109905382	VVVHYCLIECPOAJ-MRXNPFEDSA-N	249.398	4.568	0	10	BJAE	
CCSc1ccccc1N[C@@H]1CCCC[C@@H]1C	109910945	SOYLFKNNXQSAIT-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
CCOc1cccc(N[C@H](CC)C[C@@H](C)CC)c1	109912024	HPRXELBXSMDWCO-UONOGXRCSA-N	249.398	4.712	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cscc2C)cc1	134329122	MFTZIJOBXWGVDN-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
CC[C@@H](C)CSc1ccc(O)c2ccccc12	156331333	WSJNYMULJWCULD-LLVKDONJSA-N	246.375	4.684	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCCC)C1(C)CC1	156413784	XQOGTPKJANNLND-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H]1CC[C@@H](C)[C@@H](C)C1	161297751	LLDCIWYMWWFIKL-YALNPMBYSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C(=O)CC2CCCCCC2)c1	164082333	WKMYOZCCQUKJBL-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCCN[C@H](c1cc2ccccc2s1)C(C)C	166687429	IYRZMUZCNVLLPC-HNNXBMFYSA-N	247.407	4.598	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)[C@H](C)CC	228807311	CIZINJZNXPPHGX-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCC12CCCCC2	230170961	SKBIVEZVFZGDAQ-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC12CCCCC2	230172402	ALPORBPUNKNMBG-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
Cc1cc(C)c(-c2ccc(N)cc2Cl)cc1C	232181915	VUTMDKBEGWSHCH-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCCCCC[C@@H](C)[C@@H]1CNc2c(F)cccc21	232947047	XJMUTZNMWIZVMR-OCCSQVGLSA-N	249.373	4.941	0	10	BJAE	
CC(C)c1ccc(C(C)C)c(C2(N)CCCC2)c1	258216454	AOISLASQXVUCJJ-UHFFFAOYSA-N	245.410	4.661	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H](C)CC(C)C)NC	302263758	CCBADULSVDTLBW-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(NCC2CCCCCCC2)c1F	302278371	IJEUOYFJCGRWIK-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](CNC(C)(C)C)CC(C)C	302535595	HJHWYVGHHBMRNM-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1ccccc1C1CCC1	305902918	CSARMYUENJYKHF-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
Cc1ccc([C@@](C)(O)C[C@@H](C)CC(C)C)cc1C	305904356	CEVKMHAAZHPKSA-GUYCJALGSA-N	248.410	4.583	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNCCCC(C)(C)C)C1	305948715	UAXHYUSNTPZVCT-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(Cl)c2scc(C(F)F)c12	306578586	MKBKXJNUNDUZEZ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CSc1c(S)ccc2c(Cl)csc12	306773774	JCNZELVPJQCHPM-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1cc2c(Cl)cc(SC)cc2s1	307487406	CBXZQMHUXBSZLY-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](C[C@H](C)CC(C)C)NC	308059802	GFOADXSZHRTBNH-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C(C)(C)C(C)(C)C	310509880	UJXPKACMMFACSB-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](n2ccc3c(F)cccc32)C1	310559966	DVSIQFDCORJTNK-ITGUQSILSA-N	245.341	4.778	0	10	BJAE	
CC(C)Cc1cccc([C@H](O)CCC(C)(C)C)c1	310577572	HFSXFTFXMBWJTM-MRXNPFEDSA-N	248.410	4.745	0	10	BJAE	
CC(C)C[C@@H](C)CNc1ccccc1OC(C)C	310582382	ZXIUDGUECVNUPY-CQSZACIVSA-N	249.398	4.568	0	10	BJAE	
CCC[C@@H](C)C[C@](O)(CCC)C1CCCC1	313409184	MPOVUSPYDBKVDG-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@](O)(C1=CCCCCCC1)C1CCC1	322745888	AHIWZDYRQCZHLM-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@H](N[C@@H]1CCC12CCCCC2)C1CC1	324467533	ZEWMERMJUSRLEL-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CCc1cc(NCC2(CC)CCC2)ccc1C	380021959	DOUFVIVRYSYJSL-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2CCC(C)CC2)C1	383604670	RDRGVANJXIEQEF-KNIAUWFNSA-N	237.431	4.501	0	10	BJAE	
CCCNCC[C@H](C)C[C@H](C)C1CCCCC1	383947379	GDYDGGIQYMEKHI-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
Cc1c(C(=O)[C@H](C)C(C)C)ccc2ccccc12	384765719	ULUNBCXYNBPHQP-GFCCVEGCSA-N	240.346	4.623	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@H]1CCC[C@@H](C)C1	385784695	XZPITBVTPJLBPC-KEYYUXOJSA-N	245.410	4.636	0	10	BJAE	
CC(C)NC[C@@H](C)[C@H](C)c1ccccc1C(C)C	386320162	KSEWMKAUKZNXKV-CABCVRRESA-N	247.426	4.548	0	10	BJAE	
CC1(CC(=O)c2ccc3sccc3c2)CCC1	395285908	KGXPQONTAHVADH-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCN[C@H](CC1(C)CC1)c1ccccc1C(C)C	401554915	KFKZYQGIXNKRCV-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@H]1CCC[C@@H]1C	402119325	ASUDBZAVAMSZEO-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CCCC2CCC2)C1	688356474	OGKRMLLEYVPARA-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@@H](NC)c2cccc(C(C)C)c2)CC1	688913413	IQMRFYITTOMVNS-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC1(CNc2ccc(C3CCC3)cc2)CCC1	690152780	PJDCQWQFADCWQJ-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCC[C@@H](C)C1	691186630	NUKLWXYIRRNPGH-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
Clc1ccccc1NC[C@@H]1CC2CCC1CC2	691698739	CEAQKJBLNMNJSM-BPCQOVAHSA-N	249.785	4.578	0	10	BJAE	
CC(C)Oc1cc(C(C)C)ccc1C(C)C	694959105	HUQHWOXOKYOMHE-UHFFFAOYSA-N	220.356	4.721	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCCC2(CC2)C1	695710776	UWMTUZGQUONDJV-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC1CCCC1)NC[C@@H]1CCCC2(CC2)C1	695728155	DLEHETJUJBYYIY-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](N)(CC)CCC(C)(C)CC	696784112	VPAJJSCVYUIZTH-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2C[C@H]3C=C[C@@H]2C3)cc1	698783746	KWBGMAAHIVLIGI-LBEHMCEESA-N	241.378	4.577	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@H](C(C)(CC)CC)C1	701146848	WLVUHZXZWDYELP-QLFBSQMISA-N	239.447	4.604	0	10	BJAE	
CCN[C@@H](c1cc(C)ccc1C)C(C)(CC)CC	701207379	WACZKYNRRXGDOM-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCCc1ccccc1[C@@](N)(CCC)C(C)(C)C	707603880	KAXWMPMIJUFAMG-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)CC(C)(C)C	707700522	YHSWKWUCICLRNI-DZGCQCFKSA-N	227.436	4.747	0	10	BJAE	
CCCN[C@@H](CC)CC[C@H](C)CC(C)(C)C	709102920	NWCWHVAWXSYDTF-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@H](NCCC1(C)CCCC1)[C@]12CCCC[C@@H]1C2	709158435	RMIHIXJRJPDGQF-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1N[C@@H](C)CC1CCCC1	709758405	DOLASNIDHWRSJS-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
Cc1cc(N[C@@H](CCC(C)C)C2CC2)cs1	710756966	ALVLCZXTDAONRY-AWEZNQCLSA-N	237.412	4.683	0	10	BJAE	
c1cc(N[C@H]2C[C@H]3CC[C@H](C3)C2)cc(C2CC2)c1	710894407	CUFMPPZTXXCBPP-FVCICTRLSA-N	241.378	4.555	0	10	BJAE	
CCCC[C@H](C[C@@H](CC)C(C)(C)C)NCC	711060764	DEJXNFLLTMJTNY-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@@H](CC(C)(C)CC)C1	713181930	DPNYRZYEWZLDNN-RBSFLKMASA-N	239.447	4.604	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC(C)(C)C(C)C	713239735	CTPZZRUUKOIKNO-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
CCCC(CCC)C(=O)CC(C)(C)CC	713319204	UGRPYKDRDJOALS-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCNC[C@@]1(CC(C)(C)CC)CCC[C@@H](C)C1	713337498	ZOVQPYSTSSYUGT-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C[C@H](N)CC1CC(C)(C)C1)CC(C)(C)C	723568799	QHBBEOGURGOLIB-OCCSQVGLSA-N	239.447	4.602	0	10	BJAE	
CCc1cc(CC)cc(OC2CCCCC2)c1	725404527	ZAQZOESPCUPFCK-UHFFFAOYSA-N	232.367	4.523	0	10	BJAE	
C[C@H]1CCC[C@@H](N[C@@H](C)CC2CCCCC2)C1	1560799270	AASVKUDPXIMAQB-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
CCC1(NC[C@H]2C(C)=CCC[C@@H]2C)CCCCC1	1560843434	ZICSDDBIFUTWFX-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)[C@H](C)Sc1ccc(Cl)cc1	1613257111	HFBYUVZQFGVEQE-ZJUUUORDSA-N	228.788	4.867	0	10	BJAE	
CCCc1ccc(CSc2ccccc2)cc1	1651623966	CIBNPQQTRKDQIP-UHFFFAOYSA-N	242.387	4.931	0	10	BJAE	
CC(C)CCCCNCc1ccccc1C(C)C	1657266195	GBGBGYDOTMGYGW-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
CC(C)[C@H](C)c1csc(-c2ccccc2)n1	1901666725	LRDHIEJYCMWVMM-NSHDSACASA-N	231.364	4.570	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H](CCC)C(C)C	1905453106	HBVZXFKLZOHALK-ZNMIVQPWSA-N	227.436	4.602	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@@H]1CCC[C@H]1C	1906210066	WXLIPJPPPUBLJQ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NCC[C@@]23CCC[C@@H]2C3)cc1Cl	1908418538	TVHRORXPOTXPBR-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H]1CC[C@H](C)CC1	1909702744	FEMLLOPSEVJIHI-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
C1CCC2(CC1)CC[C@@H](NCCCC1CCC1)C2	1915855690	SRKXBGFQFWBZDM-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCC(CC)[C@](C)(O)c1ccc(CC(C)C)cc1	1919645480	XTPPZFFXCWFIAD-KRWDZBQOSA-N	248.410	4.529	0	10	BJAE	
CC(C)CCCCCN[C@H]1CCCC12CCC2	1921492719	AHTRATOPCOTLOF-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@H]2CCCC23CCC3)C1	1921605022	QTXIOBIVZKXQHZ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)[C@H](C)C1CCCCC1	1924079498	WFLZMXYPJREWGT-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C[C@H]2C=CCCCC2)cc1C	1925815098	SMAFFIXPEGUMOE-HNNXBMFYSA-N	214.352	4.592	0	10	BJAE	
C1=C[C@@H](Cc2cccc3cccnc23)CCCC1	1925830097	NDZJLHUVIHSOHH-CQSZACIVSA-N	237.346	4.524	0	10	BJAE	
CCC(CC)CCN[C@@H]1C[C@H](C)CC(C)(C)C1	1926159390	KIGGMNWMDNGYFI-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C(=O)c1cc2sc(C)cc2s1	1934992385	CWOIFVMCFBKXDT-ZETCQYMHSA-N	238.377	4.500	0	10	BJAE	
CCC(C)(C)c1csc(C2CC(C)(C)C2)n1	1939066329	JPJZVURVELRSGG-UHFFFAOYSA-N	237.412	4.734	0	10	BJAE	
CCCCCC1(CNCCC)C(C)(C)C1(C)C	1940297918	FEVRVRZNGHIWPG-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](N)c1ccccc1C(C)C	1940617031	UDAUGSFVPQNWRK-INIZCTEOSA-N	233.399	4.636	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CCC[C@@H]1CC1(C)C	1940875503	XUUPILCNMCZFLG-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@](O)(CCCC1(C)CC1)[C@H]1CC1(C)C	1940881128	LDCLMBNNPPECKT-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(CCC2CC2)CC1	1941597353	QPZGJUZUIKSHSV-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CCC(C)C)C(C)C	1942656106	AFXVEECQOPYWPB-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)[C@H](CC(C)C)C(C)C	1942660629	KVDFFXKJOZDOAD-XHSDSOJGSA-N	242.447	4.738	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C[C@@H]1CCC[C@H]1C	1944831114	JFAIFOMTYPUPAF-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1(CNC2(C)CCCCCC2)CCC1	1945617344	SLADXPUZSSVEHK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Clc1ccc2ccn(C[C@H]3C=CCCC3)c2c1	1947569341	KEAWUNVHCWMZBC-LBPRGKRZSA-N	245.753	4.651	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(O)[C@H](C)CC(C)C)C1	1948334401	YMQOUWCCZQABFB-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCCC[C@H]1CC)NCC	1948426865	XWWDAJODVWHHCU-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
Cc1cc([C@H](N)C[C@@H]2C=CCCCC2)c(C)s1	1949140556	VQYCAVOBRIZUOJ-UKRRQHHQSA-N	249.423	4.501	0	10	BJAE	
CC1(CCC2(CO)CCCCC2)CCCCC1	1950364142	KBHGQZDRDHOQSJ-UHFFFAOYSA-N	238.415	4.680	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@@H](C)C(C)C)cc1	1968369155	SARFDIQXCFPGPQ-ZIAGYGMSSA-N	234.383	4.871	0	10	BJAE	
Cc1cc(C)c(-c2nc(C(C)C)cs2)c(C)c1	1968572884	SMNABEHVOHNPNV-UHFFFAOYSA-N	245.391	4.859	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1[C@H]2CCC[C@H]21	1968602662	NZFFKNQZCDPQKP-ZSHCYNCHSA-N	243.394	4.576	0	10	BJAE	
CCN(CCCC(C)(C)C)Cc1ccccc1C	1968694134	YRKHTCPOVFPOCA-UHFFFAOYSA-N	247.426	4.643	0	10	BJAE	
CCc1cc(N[C@H]2CC[C@@H]2CC(C)C)ccc1C	1969679129	HLYMIDUQSRVRSE-WBVHZDCISA-N	245.410	4.794	0	10	BJAE	
CCCC[C@H](C)N(C)CC1CC(C(C)(C)C)C1	1971405769	KTAONIGDCMAJBK-NFOMZHRRSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1CCC12CCC2	1972258672	DFGWHEMCBPYOCL-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCC23CCC(CC2)C3)C1	1973948708	LHMZJTCMVLODDE-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CCC([C@@H](O)CCC)CC1	1980344049	FOUJLTJMBDRXLG-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)CC1(C)CCCC1	1980383792	XGEQOOYUXGENRB-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
C1CC(=C2CC(CC3CC(C4CC4)C3)C2)C1	1985532072	FAGADSMDNNXITD-UHFFFAOYSA-N	216.368	4.703	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)CCC=C(C)C	1988786463	DSYPOLTYVOLTET-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1C[C@@H]1C(C)(C)C	1993067042	QINBZKJVKUCRHI-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H](C)CCC	1993593143	HOUUYYCPXFISGO-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CC1(C)C[C@H](Nc2ccccc2Cl)C1(C)C	1994588656	TWYMXEAXHQYAJE-LBPRGKRZSA-N	237.774	4.577	0	10	BJAE	
Cc1cccc(NCC23CCC(CC2)C3)c1Cl	1997006075	MMIAFUZTBBKTRV-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC2CCCCC2)CC1	1997101072	WEPFFACIALKIPE-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C2CCCCC2)CC1	1997205691	QFOPAMDENANJLO-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CCCCC[C@H](CC1CC(C(C)(C)C)C1)NC	1998240551	NYFLSKWMEWBOHZ-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CSc1ccc(N[C@@H](C)C2CC(C)(C)C2)cc1	1998651155	RERJHNRSOJWODY-NSHDSACASA-N	249.423	4.645	0	10	BJAE	
CC[C@H](C)C[C@H](C[C@@H]1CCC=CCCC1)NC	1999994386	UQLVJJPNYKBLGQ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1(C)CCCCCC1	2000217843	CNEBRIJQRAHPEX-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCCC)C1CC(CC)C1	2002304373	HCLVRYDXLZHAKJ-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C1CC(C(C)(C)C)C1	2002326530	VNRGDDOCQRMPLF-HIFPTAJRSA-N	238.415	4.700	0	10	BJAE	
CC(C)C1CCC([C@](C)(N)CC(C)(C)C)CC1	2002926074	OFJAWANHZWMKLR-ZBCRRDGASA-N	239.447	4.602	0	10	BJAE	
CNC[C@@]1(CCCC(C)C)CCCC(C)(C)C1	2002994116	QSISARXRBSIGSX-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H](C)[C@@H]1CCCC(C)(C)C1	2003003900	DXHIHSJCLXLARV-BYNSBNAKSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)[C@@H]1CCC[C@H](C)C1	2003019860	XXXALRRIEXYRRR-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H]1CCC[C@@H](C)CC1	2004226194	MBQDVGMTXHSOAR-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCNCC(=CC(CCC)CCC)C(C)C	2004726160	YZTRTZADQWZEPX-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@@H]1CCCCC12CCC2	2005591699	JDSVTQALZCAPCL-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2CCC[C@@H]2C)CC1	2007682565	BDOPGFKIFWZWRQ-WJEHIRDRSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C)([C@@H](N)CCCC2(C)CC2)CC1	2007689954	PRHVMWORDHOGJU-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CC[C@@H](C)CCC2=O)C1	2009411009	MTVNRFZKKOENHO-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(O)CCC1(C)CC1	2009548043	MNOXHZQWOZVMBX-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@H](C)C1CC1)NCCC	2009636694	ZAITXXVPAZZODL-WQDDEOEWSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@]1(C[C@@H]2CCC[C@H](C)C2)CCCN1	2009773179	YCGZPAVSBDBXAI-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)C1=CC[C@H](C)CC1	2010622635	LXWDDAUMHOMLIE-DZKIICNBSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@H](C)CCC	2010624295	QPDFNJPCGDTOIW-LZWOXQAQSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)CN(C)CC1CC(C)(C)C1	2011185281	ZTBDTVSEUMOCLG-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC(CC)(CC)[C@@H](C[C@@H](C)C1CCC1)NC	2011186591	LCHLHFMOTIOXQM-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011984381	XWKJNXNGMPYDJM-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H]1C[C@H](NCCC)CC(C)(C)C1	2012042244	SBHGNTBKFBUGAK-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@@H](O)CC2(CCC2)C1	2012059740	WPCXMGNPRXDKRM-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@H](O)CCC(C(C)C)C(C)C)CCC1	2015333733	DCTAHKALSWMTRW-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](N)(CC(C(C)C)C(C)C)C1CCC1	2015399837	OCHRJPIKNZAXMS-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@H](C)C(C)C	2015400267	PXAMCSYBNLEHSZ-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CNc1cccc(C2CC2)c1)C(C)C	2016106143	KYNSWBRUZADBCG-CYBMUJFWSA-N	231.383	4.658	0	10	BJAE	
CSc1ccc(N[C@@H](C)CCC=C(C)C)cc1	2016135388	FKXNEZZKIGFTFE-ZDUSSCGKSA-N	249.423	4.955	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCC[C@@H]1CC1(C)C	2016148934	FGLPWRJXGKJLAP-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)C1(C[C@]2(O)CCC[C@@H](C)CC2)CCC1	2017112946	TVVBZYJYOFGCLO-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C2(C(C)(C)C)CCC2)C1	2017133382	RBXWXCBCKPCMGL-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC1(C(C)(C)C)CCC1)NC	2017140138	DEXRGPUJWZSZSS-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1CC(C)(CC)C1	2017476079	UGUOGZRZZYPDFR-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(N)[C@@H](C)CC)CC1	2017727746	CWMPPXRJKIWKNT-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](C)CC1)C(CC)CC	2017730809	LDFXOWNUQKVOEK-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)CCC2CC2)CC1	2017775132	XWCBXWBEJUWYAX-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H]1CCCC12CC2	2018127999	SFDYUHICCMNLLA-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@H](C)CC(C)(C)C	2018181956	CXOFDFUQGZBLAN-HUUCEWRRSA-N	241.463	4.959	0	10	BJAE	
CCCN[C@@H]1[C@@H]([C@@H](C)CCC)CCCC1(C)C	2020363391	IRVSPFYXMWQBGV-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H]1CCCC(C)(C)[C@@H]1NCCC	2020364051	NVGUMHCACPJLFF-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@H](Nc1ccccc1C1CCC1)C1(C)CC1	2021026970	LLLAAZLGJNIONB-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1C[C@@H]2C[C@H]2C1	2026071881	BCYWURYLNATALT-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC(C)C)c1ccc(C2CC2)cc1	2028592092	ZRFGARUOCWXBRD-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
C[C@H](C(=O)c1ccc(C2(C)CC2)cc1)C(C)(C)C	2028605747	PZAAMXJSGNSCME-GFCCVEGCSA-N	244.378	4.603	0	10	BJAE	
N[C@H](CC1CCC=CCC1)C1CCCCCCC1	2028897888	PZAVOROKYGLQQT-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CCC[C@H]1NCC1(C2CCCCC2)CC1	2029741513	JDPRRAQWPNWMOY-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NCC1(C2CCCC2)CC1)C1CCC1	2029741810	JWMRBQHHCFCTRM-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1[C@@H](NC)[C@H](C)CCC(C)C	2029822703	FGLFTWWABHWQGU-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CN[C@H](CC1CCCC1)[C@]12CCCC[C@@H]1CCC2	2031754372	JMAQDACPUMOYNE-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCN1CCCCC12CCCCC2	2032662492	YNDWLAXNOLEYCY-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H]1CCC(C)(C)C1	2033404800	XOVRFGMVIYXGIV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@@H](CCc2ccnc3ccccc23)CCC1	2035557693	VINURXOUVVTDOP-CQSZACIVSA-N	237.346	4.524	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2CC23CCCC3)cc1	2036100409	KHBULSABKKPXOJ-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C1CC2(CC2)C1	2036183223	WULCJPFOHCWMGS-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(C[C@H]2CC=CCC2)CCCCC12CCCC2	2037166208	KUOAXKYGLWPAEN-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
C[C@](N)(CC1CCCCC1)CC(C1CC1)C1CC1	2037189519	IJXBVVIXJISERU-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)c2cccc(C(C)(C)C)c2)C1	2037672203	LIFAUTAPRLNMFZ-OCCSQVGLSA-N	244.378	4.603	0	10	BJAE	
C[C@@H](NC[C@@H]1CC12CCCC2)C1CCCCCC1	2039079716	UHSWEAHVWHGANA-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CC12CCC(CC1)C2	2039353213	CWFSVRUKMMDUNV-NMSBFTQNSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CCC[C@@H](C)CC2)c1C	2039374272	KSHYMHJSRXWOLI-IUODEOHRSA-N	244.378	4.703	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](O)C1=CCCCCCC1	2039434692	LFGFMRGOUFZUKX-BHYGNILZSA-N	248.410	4.620	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CCCC2(CCCCC2)C1	2040766009	YDQMBRRRINKVPP-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
C[C@H]1CCC[C@@H](CNCCC2=CCCCC2)CC1	2041540005	JEBLDCXMKQHMAT-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CCCNC[C@@]1(C2CCC(C)CC2)CC=CCC1	2042091251	JSIIFYOAPWHLHS-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@H]1C=CCCC1	2043185879	AIUYOCVGFLBVDD-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@H]1[C@@H](C)[C@H]1C	2043409140	ZWCQBFUKEHTYFR-YALNPMBYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H](C)C1CC(C)(C)C1	2043547415	PUVKVEXOHFBQOG-KBPBESRZSA-N	249.442	4.680	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@H]1CCC12CCCCC2	2043682486	HJJAKTDQAYBKHN-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCCCCCC(=O)c1c(C)oc2ccccc12	2045585714	WQNNMRYJSCOSKQ-UHFFFAOYSA-N	244.334	4.894	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)CC1CC2(CC2)C1	2045993726	RKNMLKPTEYSGGW-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](C)(CNCC)C[C@@H](C)c1ccccc1	2045997818	NKFAGSQSADHXRO-WBVHZDCISA-N	247.426	4.596	0	10	BJAE	
Cc1ccc(N(C)CC2CC(C(C)(C)C)C2)cc1	2046558335	NRXMUEJMIQVKTO-UHFFFAOYSA-N	245.410	4.504	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2C[C@H]1CC12CCCC2	2047020293	OQGRVDQRXIHXHN-KBPBESRZSA-N	241.378	4.556	0	10	BJAE	
CCCC1(CN[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2047435476	WPXYQVLEMOYGSY-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](N)CC2[C@H]3CCCCC[C@H]23)CCCCC1	2048475506	RUZMYKAXAHMHCH-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@H]2CCC3(CC3)C2)C1	2049856133	PZKVZPCXXLGAHF-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC2(CC2)C1)C1CCCCC1	2049860624	BSGCISUPXNHTGB-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CCCC3(CC3)C2)C1	2049862685	YJQJKJHACSYYCQ-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)C[C@H]1CCCC2(CC2)C1	2049929540	NQYXVSNIOMCUMN-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1CC(C)(C)C1)[C@]1(C)C=CCCC1	2050005256	FDHDUPBZEOTGIS-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@]2(C)C=CCCC2)c1	2050010241	RNSFJYARVJAHSP-KRWDZBQOSA-N	242.362	4.739	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H]1CCCC12CCC2	2051405623	FDLSAIJSCSLCBW-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC=CC[C@]1(CNC(C)C)CCCCC12CCC2	2053364045	IBKDVSXMJULRAS-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@H]1CCC[C@H]1C(C)C	2056448940	NWTIGDIXKMWLLD-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CCC[C@@H]2C(C)C)cc1	2056449506	IXEAHOUZZZFWLA-CVEARBPZSA-N	244.378	4.504	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C2(C)CCC3(CC3)CC2)C1	2056539582	MUTILEGFZIFKOK-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(C[C@@H]2C[C@H](C)Nc3ccccc32)C1	2056641693	BDWWJMNUCKOYTG-PPWQZUPISA-N	243.394	4.801	0	10	BJAE	
N[C@@H](CCC1CC(C2CC2)C1)CC1CCCCC1	2056650336	GBADLLOHGZHLNH-PREGVCBESA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1CCCC1)C1(C2CC2)CCCC1	2057604163	OOWJOAKFZMNGII-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(N)C1=CC[C@@H](C)CC1	2060911147	WLYQWEKPSMFOKH-DJIMGWMZSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC([C@](C)(N)C2=CC[C@H](C)CC2)CC1	2060914379	RHDZPCJCVGWMEU-VFNXUKNFSA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC([C@@H](N)C2=CC[C@@H](C)CC2)CC1	2060926897	UQRGKTGHUDYYID-LYSZQXJVSA-N	249.442	4.667	0	10	BJAE	
C[C@H](C[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1)C1CC1	2061088492	NGMVBZPKPMQGIB-DAXOMENPSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CC[C@@]12CCC[C@H]1C2)C1CCCC1	2061574870	MEABNRDSYNNXJI-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](C[C@@]12CCC[C@@H]1C2)NCCC	2061619104	YUGOEUSMTULHNW-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC12CC(NCCC1CCCCCC1)C2	2064111569	RFTYAWLDXJCPNH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@](C)(O)CC(C(C)C)C(C)C)cc1	2068845278	SPPRRIKIEVOOHW-KRWDZBQOSA-N	248.410	4.521	0	10	BJAE	
CCCC1(C[C@H](N)C2[C@@H]3CCCCC[C@@H]23)CCC1	2069267960	JFCULKODQSQKKA-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2(CC3CC3)CCC2)C1	2069502781	ADIAGAWCUUENOQ-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@H]1CC)C1=CCCCCC1	2071513242	ZEMIROFHKAFYHH-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCc1ccccc1C(=O)CC1(C(C)C)CCC1	2071920248	TXENDEXKRLPRIZ-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCC1CCC(C=C2CCN[C@@H]2C(C)C)CC1	2072822277	SRINSXBLCIAIGB-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C(=O)C[C@@]12CCCC[C@H]1C2)C1CCCC1	2074094644	MSOFJLFQERCSOC-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)C[C@]12CCCC[C@@H]1C2	2074096359	XWYWGVUFRORSOX-SJKOYZFVSA-N	248.410	4.598	0	10	BJAE	
CCCC1CC(CN(C)[C@H]2C=CCCCCC2)C1	2074800411	VLIKIKRIHOLSDP-JCYILVPMSA-N	249.442	4.633	0	10	BJAE	
CCCC[C@@H](CC)N(C)Cc1cc(C)ccc1C	2074924291	AZJLNEYOJVQTSP-QGZVFWFLSA-N	247.426	4.704	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@@H]1C[C@@H]1C1CCCC1	2079869997	IWCNYNLYOIWEMP-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)c1cc(C)cc(C)c1C	2082923606	VWIQTDLIPAYWKI-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CC1(C)CC(C[C@H]2CCC=C[C@H]2N)CC(C)(C)C1	2082986682	NHUDNHVHMYIYMP-HUUCEWRRSA-N	249.442	4.523	0	10	BJAE	
CCCC1([C@@H](N)c2cccc(C(C)(C)C)c2)CC1	2083544555	CMIPDXXVVSRHPV-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)C[C@H]1CC12CC2	2086354821	OJBBQYZNXDHMFH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C[C@@H](O)CCCCCCC1CC1	2210526668	HUZAHZGRBRWUJD-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCCCCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213271710	VKTYNBKCFAIUJV-FICVDOATSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](O)CCCCC2CC2)C1	2214568270	ISCQSPYPZOHCKE-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@@H](C)CC(C)(C)C)CC1	2215824635	VLUYFJNXFSCQMV-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CNC)CC=C(C)CC1	2215826968	RDDYOKKPIZCGGZ-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)[C@@]1(C)C=CCC1	2218721897	WLUDYBKVZQBQBK-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CN[C@H](C)C(=C2CCC(C(C)(C)C)CC2)C1	2220367942	HLFNBWJLAWQXJA-IKCIUXDWSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2[C@@H]3CCCCC[C@@H]23)C1	2221075674	IVEJSAOTOYUONX-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCCC1	2222948211	GKTLZTQMZJUTPG-YCPHGPKFSA-N	248.410	4.742	0	10	BJAE	
C(CCCC1CC1)CCCN1CCC[C@H]1C1CC1	2223109740	PCPQFQYXYWVTCE-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1(C)CC(C)C1	2242704727	QCCTXLPRXZRQIM-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H](CC)CCC	2244785712	XITHPDWLZBWEIW-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
Clc1csc([C@H]2CCc3ccccc3N2)c1	2245489965	IOQOSBBPIMYEHM-GFCCVEGCSA-N	249.766	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2CCC(C)(N)CC2)C1	2246680932	NKJQYBPKXXGRQD-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)c1cc2ccccc2s1	2246870115	HDKKBBXNYUXTQZ-CQSZACIVSA-N	247.407	4.583	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@H](O)C1(C)CCCCCC1	2247422294	LHJWFDNIGMYLOK-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C1CC(C)(C)C1	2248809988	XFIVQFYYQIYWHO-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)c1ccc(C2CCC2)s1	2250282284	VWRQOUPNYAJCBJ-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
CC1=CCC[C@]1(N)CC[C@H](C)CCCC(C)C	2250482653	VJSXITVCBLHOKR-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(O)C=CCCC1	2250495549	JGEYQYMCJKENCI-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)CC[C@@]1(O)CC(C)(C)CCC1(C)C	2251679733	WOGBRNVWZFBREC-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC(C)CN(CC1(C)CC(C)C1)c1ccccc1	2253757645	LLYXYGCMQLYEGL-UHFFFAOYSA-N	245.410	4.585	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1CCCCC12CC2	2253805146	LLDCADVJAFYXON-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(NCCCC[C@H]2C[C@@H]2C)cc1C	2254541977	CZKLJBGKVHPKGO-BBRMVZONSA-N	245.410	4.796	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C1CCCCCCC1	2255063507	LFIWQJLADPDBBK-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCc1ccc([C@@H](N)CCCC(C)(C)C)cc1	2256293670	HLUNTFXBXRYKGW-INIZCTEOSA-N	247.426	4.855	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)[C@@H]1[C@H]2CCCC[C@H]21	2257311556	MVJAUNWQAGSFGJ-NBFUAULTSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC1CC2(CCCC2)C1	2257311740	NTFVKIZXZKBZLM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2C[C@@H]3CCC[C@@H]32)c1	2257883862	BRMUIKVFUPXVHV-VBNZEHGJSA-N	243.394	4.585	0	10	BJAE	
CC(C)(C)[C@]1(C[C@]23CCCC[C@H]2CC3)CCCN1	2260582867	LQSLBLNPJFVUME-USXIJHARSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)C[C@@]23CCCC[C@H]2CC3)CCCC1	2260672189	OFDDMEBDWKQCNR-XIRDDKMYSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(N)(C[C@]23CCCC[C@H]2CC3)CC1	2260680143	VYMHLCZPMYDEHR-VUROTCPHSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC1CC(CN[C@H]2C=CCCCC2)C1	2261184850	KAZCTUJBTDVPEN-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C[C@H]2CCNc3ccc(F)cc32)C1	2261341068	YGQOWFSYXUBUGK-GFCCVEGCSA-N	247.357	4.551	0	10	BJAE	
C=CC=CCC[C@@H](CCC1CC(C)C1)NCCC	2261489557	NRTDJRMZCRHPHL-JCYILVPMSA-N	249.442	4.703	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC[C@@H]1C[C@@H]1CC	2298135811	BYWDBDPLLJIKOC-OWCLPIDISA-N	239.447	4.571	0	10	BJAE	
CC[C@@](O)(C[C@@]12CCCC[C@@H]1CC2)C(C)(C)C	2298704955	QUQGKUPJSINEDZ-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](C)(C(=O)CC1(C)CCCCC1)C(F)F	2299828929	NDDYCGWUHUHCEV-AWEZNQCLSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@@H]1CCC(CC)CC	2300680802	ICIHEJMFGBMALN-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCC(CC)CC	2300685332	DIKOJXJPCMQTOZ-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CC=CC[C@@H](C[C@@H](CC)C(C)(C)C)NCCC	2300876706	JDULCPRDSFDNBI-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CC=CC[C@H](C[C@@H](C)CC(C)(C)C)NCCC	2300896833	MYGDCFHHESIGBN-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CC=CCc1ccc2oc3ccccc3c2c1	2300929892	UJWBWWZUCNRWEQ-UHFFFAOYSA-N	222.287	4.705	0	10	BJAE	
CCNCC1(CC2CCCCCC2)CCCC1	2301244351	LMVQUFAPWJHZKQ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C(C)=C(C)C	2301903235	SBJZJLCPQBPWOF-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@@H](C)[C@H](C)C(C)C	2301960670	DGJMBHHRDHNHHT-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@H]1CCC(C)(C)C1)NC	2302685218	MKKJXICKUCMBHM-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](C[C@H]1CCC(C)(C)C1)NC	2302748729	QGBCHJFDPUUURB-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCC[C@H](O)C2)C1	2304396261	JRINAICMOYOTHW-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CN1CCC[C@H](C(C)(C)C)C1	2307750634	XGHBFSCCHNPWGB-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)C1(C)CCCCC1	2307816510	GAOPHLJGJOITNO-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)[C@@H](C)C1CCCCC1	2307928945	RYDATZHEWVVRRI-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H](N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2308400561	MVAUIEFSYOJPEG-QBYUYEEZSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2311610706	ASJXOQGPNANHEJ-DUFGSWQCSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)C[C@@H]2C[C@H]2C(C)(C)C)CC1	2312520679	BQODVVZQVBJHCB-KLZNWCGWSA-N	249.442	4.523	0	10	BJAE	
FCc1ccc(NC(CC2CC2)CC2CC2)cc1	2313611090	AJHMGVWTRZLFJL-UHFFFAOYSA-N	247.357	4.537	0	10	BJAE	
C[C@H](CC1CCC1)N1CCC2(CCCCCC2)C1	2313653874	DMRSKHPNFLXARM-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1cccc2ccccc12	2316502867	MOKHSNPVHIXBAE-QGZVFWFLSA-N	239.362	4.586	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2317017334	ZZSZKKRIDYRPEW-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CCCCc1ccc(N[C@H]2CC(C)(C)[C@H]2C)cc1	2318176293	OBANKGFZEPAHBD-BBRMVZONSA-N	245.410	4.876	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@H]1C[C@H]1C(C)C	2318593916	ZOPUBXWZGUFLOK-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@H]1CCC=CCCC1	2318886231	USKYVFHLCMZBSU-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320152160	AFEKNKJNEOICPZ-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2CC[C@H]2C(C)(C)C)c1	2320239734	HCRZLXHKTCHXPO-HUUCEWRRSA-N	245.410	4.788	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@](C)(N)C2CCCCC2)CC1	2320329932	JRWKZNAXHYUDGS-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](O)c2ccc(C)cc2)CC1	2320336047	FEEKJPHKQBLMTB-DOTOQJQBSA-N	244.378	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC(C)=C(C)C2)CC1	2320415162	YCROAGFGSLFODW-IXDOHACOSA-N	249.442	4.824	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)c2ccc(C)cc2)CC1	2320417859	YWMPSKCRWWDPIS-OAHLLOKOSA-N	242.362	4.704	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCC[C@@H]2C(C)C)c1	2321091155	IRQDYFVCUUPHLK-CVEARBPZSA-N	249.373	4.625	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)c1ccc(C)cc1C	2328192330	BAJQNWLKSCPVAO-NVXWUHKLSA-N	247.426	4.694	0	10	BJAE	
CCC[C@H](CC)CC(=O)C(C)(C)c1ccccc1	2328308226	XOLPKUBRLRNMHO-AWEZNQCLSA-N	246.394	4.750	0	10	BJAE	
CC(C)CCC[C@@H](C)NC1[C@@H](C)CCC[C@H]1C	19231955	FTTHFEJRJMZCLK-IUOOZAAYSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1ccc(CC)s1	20482578	UPJZAUOHMCHDCD-BXUZGUMPSA-N	239.428	4.527	0	10	BJAE	
CCC[C@H](C)N[C@H](C)c1ccc(CC(C)C)cc1	20565950	WUDUNLDCHKRKGO-LSDHHAIUSA-N	247.426	4.724	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@H]2C[C@@H]2C)c(C(C)C)c1	21516091	COWIBGGUJLBBGL-AFAVFJNCSA-N	245.410	4.589	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)c1ccc(C)c(C)c1	35457138	FPUABWPGBVCZSW-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CCc1cccc(CC)c1Nc1ccccc1	39102567	HQUUGVKPDVPXRB-UHFFFAOYSA-N	225.335	4.555	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)c1ccc(C)s1	68987099	KVVDDECWQWYONL-STQMWFEESA-N	239.428	4.676	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@@H](CC)NCC	70746559	GWCCXKUXUDWFFA-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1cccc(C)c1C	70977685	CXINPBPWRCMXGL-GDBMZVCRSA-N	231.383	4.684	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@@H](C)[C@H](C)C1	84984278	UUFDGCAXYCIDKR-IIAWOOMASA-N	245.410	4.876	0	10	BJAE	
CCC1CCC(CCC(=O)c2ccccc2)CC1	85082804	CDVKRXCDLSFAHP-UHFFFAOYSA-N	244.378	4.866	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC[C@@H](C)CC2)c1	86879103	CKUMKQIAPJRVCN-IUODEOHRSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@@H](CC)CC1=C[C@@H](O)CC(C)(C)C1	87323155	XUUINMDOXBQUTE-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
CC(C)c1ccc(C(C)(C)CCO)c(C(C)C)c1	94270174	RZOXXJZOTVHZIA-UHFFFAOYSA-N	248.410	4.593	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CNC1CC1)C(C)C	104017846	OKCBJGQBUBVQJH-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)c1ccccc1	109724568	XDERHNAPCPYCSG-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(C)cc1OCCC	109909684	VSEQZWXSKFDLLF-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](c1ccccc1)C(C)C	111665425	HDSDLPZMRJUPIM-PBHICJAKSA-N	247.426	4.798	0	10	BJAE	
CC(C)CC(O)(CC(C)C)CC1CCCCC1	165374785	FVABFABMYCPYSV-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H]2CC[C@H](CC)C2)c1	165549400	OXSXVMISPCTYOJ-XJKSGUPXSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)C1CCCCC1	167074494	QQZIRIPJCZJDLG-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C[C@](F)(CCC1CCCCC1)c1ccc(N)cc1	197297337	BRTZNQCDPDMVFQ-INIZCTEOSA-N	249.373	4.814	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)[C@@H]1CCCC[C@H]1CN2	214648822	DTEWJMLQJOZIKR-GXTWGEPZSA-N	243.394	4.683	0	10	BJAE	
CCCC[C@H](C)N[C@H](CCC)CCCC	225995115	QTLKLJMZNWRANJ-UONOGXRCSA-N	213.409	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(O)CCC[C@@H](C)CC1	226506889	KHFHXTABKNRZCC-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@@H](CC)C1	227196330	YOYCWGAJPNKEAT-RRFJBIMHSA-N	225.420	4.514	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C(CC)CC	228691887	MRDDISISBXKZIB-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc([C@H](C[C@@H](C)C(C)(C)C)NC)c1	228858590	SLEDWTHYHSJOKQ-CJNGLKHVSA-N	247.426	4.582	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(CC2CCCCC2)C1	231011298	KIDUSBSOBPLLDW-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CN[C@@H](C)c2ccc(C)cc2C)CC1	233028636	UPCLUFIAPLLHTM-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
Clc1ccc2[nH]cc(CCC3CCCC3)c2c1	236075203	ZMQYXYGKZMBVAW-UHFFFAOYSA-N	247.769	4.944	0	10	BJAE	
C[C@@H]1CC[C@H](CCC(=O)c2ccccc2)C[C@H]1C	251938922	VWRJVFZZGQZJRC-RBSFLKMASA-N	244.378	4.722	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)CCC(C)C	300812836	FZNOIPVQPNJFHK-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CNC[C@@H]1CCCCC[C@@H]1CCCC(C)(C)C	302263634	FRNBQNQEJGTOQA-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(N)c(SCCC2CCCCC2)c1	302289357	WUCRFCFKGVUPPI-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc2ccccc2c1	302313069	GDLCWPXSDLXYES-CYBMUJFWSA-N	240.346	4.849	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](CCC(C)C)C2CC2)c1	302535066	RZDZZERBOYLUDN-HNNXBMFYSA-N	249.373	4.761	0	10	BJAE	
CCc1cc(NCc2ccsc2C)ccc1C	310191247	ZZHBUDKFOMSRDZ-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
c1ccc(-c2ccccc2N[C@@H]2CC[C@@H]3C[C@H]32)cc1	311901607	YGCQVMMXOCHLSA-QGPMSJSTSA-N	249.357	4.564	0	10	BJAE	
CCCNC[C@@]1(C[C@H](C)CCC)CC=CCC1	316831147	LOTNJEYGSOBFMU-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC(C)C)([C@H](C)CC)C1	317769779	SVLBFCIGCQSYNP-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)Oc1cccc2ccccc12	319705502	YIZFOSATLZAYKV-QWHCGFSZSA-N	228.335	4.653	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC/C=C/c1ccccc1	323665942	MXMZLRAGVMELGA-AYAUWGRQSA-N	246.394	4.667	0	10	BJAE	
CCCCC[C@H](N)c1ccc2ccccc2c1C	384693726	IWMLSYRABRPZKO-KRWDZBQOSA-N	241.378	4.728	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)C1CCCC1	385229411	SYJDSDVKUOMJLU-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@@H](CC)NCC(CC)(CC)CC	391173103	GWONFQZUOPGJCK-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCCC1(CN[C@@H](C)c2ccc(C)cc2)CCC1	391771442	FIHXFILYYYQTJG-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
CCc1cc2ccc(SC)c(CC)c2s1	396178249	RQFRWXMVDQESKP-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cccc2sc(C(F)F)c(C)c12	396241614	LSGZXZSUTCUTGQ-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNCCC1=CCCCC1	401862835	ZYPKRKVVZSIIEA-IAGOWNOFSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC[C@@H]1CCCC[C@H]1CC	401935237	DZJQXDNJPZAMLJ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)C(C)(C)CC	402118373	APCWOTLYLXCWOF-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1CC=CCC1)NC	402243402	HIMBMQKPHAZJQA-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@H](Nc2cccc(C3CC3)c2)C1	690074941	GYGBNPBXQWYSGG-PBFPGSCMSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H](C)c1ccccc1C	695063310	UMGZZRMLXUFELU-WBVHZDCISA-N	247.426	4.513	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)C1CCCC1	696558609	DDLBYSTZIJHSHO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@H](C)C1CCCCC1	696680376	YARDGMIYZAUZRN-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CCOc1cccc(Cl)c1C	702663557	HDMONLMKPMDFDQ-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)c1ccsc1Cl	704567664	KDGCTUITXAGTEC-WPRPVWTQSA-N	246.803	4.507	0	10	BJAE	
CCC[C@](N)(C[C@H](C)c1ccccc1)C(C)(C)C	704927289	IQXLNKITQFYGCC-YOEHRIQHSA-N	247.426	4.724	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H](C2CCC2)C2CC2)c1	705304409	QCMJHVPXWWXZKE-HNNXBMFYSA-N	249.785	4.639	0	10	BJAE	
CC1(C)C[C@@]1(C)CNC1CCC2(CCCC2)CC1	706545447	WSKATKYTPAIMDH-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H](C)CC(C)C	708282481	KJZMWGKXEQOUHK-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@H]1CC(C)(C)CC[C@@H]1N)CC(C)(C)C	709075036	CZVWWGAPCQIVHR-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC1CCC1)NCC1(C)CCCCCC1	710263688	SGMYGROGWBCULC-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](CC)(C[C@H](C)C(C)(C)C)C(=O)O	710701043	SGHMOLGUDWCKDN-SWLSCSKDSA-N	242.403	4.730	0	10	BJAE	
CC[C@@H](C[C@@H](CC1(C)CCC1)NC)C(C)(C)C	711093990	LGWKMSBZXNVNJG-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCNCC1(C[C@H](C)C(C)(C)C)CCCCC1	711160900	WBYFHSRBVSARIX-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@H](CC(C)C)C[C@H](C)C(C)(C)C	711185159	USQVJOUZWWLLSN-GJZGRUSLSA-N	241.463	4.721	0	10	BJAE	
C=C/C=C/CC[C@@H](CC(C)(C)CC)NCCC	713725807	MXJGPOVTBHGFFB-FEAKQIBJSA-N	237.431	4.703	0	10	BJAE	
CCCC[C@](CC)(CCC(C)=C(C)C)C(=O)O	718662471	SYBGRVRGPBGFMI-OAHLLOKOSA-N	240.387	4.794	0	10	BJAE	
CCc1ccc([C@](C)(O)CCC(C)=C(C)C)cc1	718692689	ONWGTRZEMWAGSF-QGZVFWFLSA-N	246.394	4.593	0	10	BJAE	
CCCCCC[C@@H](N)c1cscc1C(F)F	720232843	ZAORFGFYZHSOSA-LLVKDONJSA-N	247.354	4.656	0	10	BJAE	
CCC(CC)[C@](N)(CC)CC1CCCCC1	720357082	DAMXDAHXLZPSSK-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1C)C(CCC)CCC	722692204	CZUGCXHTIFPSKR-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(C=O)c(CC2CCCCC2)c1	725437617	YSCJCXKRKYSCHS-UHFFFAOYSA-N	244.378	4.745	0	10	BJAE	
C=C/C=C\CCS[C@H](C)c1cccc(OC)c1	1165816714	KQISXOMNYSGSFE-CFHLNLSMSA-N	248.391	4.622	0	10	BJAE	
CSc1ccccc1CSCC(C)(C)C	1651980832	HQRPLDDIJBBOMJ-UHFFFAOYSA-N	240.437	4.688	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC[C@@H]1C[C@@H]1C	1896102283	UFFFCJZOUFPLGL-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCC(C)=CCC(=O)c1cc(C)ccc1Cl	1900854332	NIFVGCKHGRJHNX-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCc1cscc1N[C@H](C)C1CC(C)(C)C1	1902377542	VLKBKBUYKFXYSB-SNVBAGLBSA-N	237.412	4.547	0	10	BJAE	
CCCCCC1CC(O)(C[C@@H]2C[C@H]2CCC)C1	1910705275	ANVNNBZXGAYMMR-FYRZTWFESA-N	238.415	4.534	0	10	BJAE	
CC=CC[C@@H](CC)c1c(F)cccc1Cl	1911798699	LVFCBMWDGYMIJI-SNVBAGLBSA-N	226.722	4.939	0	10	BJAE	
Cc1ccc(NC2CC3(CCCCC3)C2)cc1C	1912707773	GRFYMDMWLOSVRW-UHFFFAOYSA-N	243.394	4.828	0	10	BJAE	
CC1(C)C[C@H]1C[C@H]1CCCCCCCCC1=O	1913380659	MYJHMTBBHMCSBR-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)[C@@](C)(O)c1ccc(C(C)(C)C)cc1	1919632045	UZQMATMSNYMYCQ-SUMWQHHRSA-N	248.410	4.628	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC[C@H]1CC1(C)C	1921431269	BPSZCSVYSONUNH-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@H](C)C1CC1	1925893301	VZIUBWDLQGDYAG-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
C1=CCC(C[C@@H]2CCC3(CCCC3)C2)C1	1934209964	QPWKPVSHYZMFGQ-AWEZNQCLSA-N	204.357	4.703	0	10	BJAE	
CCCCCC[C@@H](N)[C@H](CC(C)C)C(C)C	1936209295	NBPPFNXDGNAPQW-HUUCEWRRSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1csc(CC)c1	1936768197	BFJPSBLOPARLFC-NSHDSACASA-N	238.396	4.710	0	10	BJAE	
CCC[C@@](O)([C@H](C)CCC(C)C)C(C)(C)C	1937160856	ABYKGTZOMSBKGD-UKRRQHHQSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1csc2ccccc12	1941242844	GZFKTSFVLXGQBW-IAQYHMDHSA-N	248.391	4.617	0	10	BJAE	
CC(C)C[C@H](CNC1CCCCCC1)C(C)C	1941270046	WHNHTRWIVCZQIC-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(=O)C[C@@H](CC)CC(F)F)C(C)C	1941274246	YMFVJSLZKWGOFH-VXGBXAGGSA-N	248.357	4.699	0	10	BJAE	
CCCN[C@@H](CCCCCC1CC1)C1CCC1	1941586800	MQNSJVBHBQONRH-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1CCC2(CC1)CC2	1942652507	IFPCNGZULPKFMZ-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(CO)CCC=CCCC1	1942655595	JMDFNYKCSQBPDR-HZPDHXFCSA-N	238.415	4.558	0	10	BJAE	
CCC(CC)C[C@H](O)[C@]12CCCC[C@H]1CCC2	1944138760	CMBSJIXWUMTQMN-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](NC(C)(C)C2CCCCC2)C1	1945383821	XWAFNDNCXDKXDT-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCCC1(C)CCCC1	1947454984	BPQNFMHWLLQFLR-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CCCCC(C)(C)C)CC1CCCC1	1949865029	UURJQZIYIOKYHB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC1C[C@@H]2C[C@H]2C1	1950078979	HJZQFDVQLWJPLC-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC1C[C@H]2C[C@@H]2C1	1950078982	HJZQFDVQLWJPLC-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@](CN)(C2CCCCCC2)CC1	1950930477	PGNGVRINRBWJHT-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CCC=C[C@H](C)Cc1ccc(OCCC)cc1	1951309035	STEPVROCRRLOGX-AWEZNQCLSA-N	232.367	4.620	0	10	BJAE	
C[C@@H](CC(=O)c1cc(Cl)cs1)C(C)(C)C	1958190367	DDCMKVSVCXKWLE-QMMMGPOBSA-N	244.787	4.657	0	10	BJAE	
c1cc(NC2CCCCCCCC2)cs1	1961028650	GGCULKHOVFNMOI-UHFFFAOYSA-N	223.385	4.663	0	10	BJAE	
CCC1CCC(NC[C@@H]2C(C)=CCC[C@H]2C)CC1	1963220389	NCXSBJFWWWGCPR-RDHHWEPZSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@H](NC2CCC3(CCCC3)CC2)CC1	1967713581	OXXDCTOXEFTAMP-HNNXBMFYSA-N	247.426	4.578	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC[C@@H]1CC12CCC2	1967757740	ZDELTXDRBBPCIZ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)cc(NC(CC2CC2)CC2CC2)c1	1968594713	GYRNJGVSSMHZCA-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCCOc1cccc(NCCC(C)(C)CC)c1	1968666662	DIFTVJIZPROFHS-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CC(C)(NC[C@H]1CCC2(CC2)C1)C1CCCCC1	1969165361	PRSCERYARIGXBZ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](N)CCC1CCCCC1	1976002805	FOLFHQNODDJPAL-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(CC)C1(N)CCCCCCCC1	1980334435	OOSNGSSUBMPZCU-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC[C@H]1CC	1990092092	VFOYBIDKWXYBFY-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
CC(C)Cc1csc([C@@H]2CCCC[C@H]2C)n1	1995463424	JTQSGXGTZTWROI-DGCLKSJQSA-N	237.412	4.635	0	10	BJAE	
CC[C@@](N)(C1CCCCC1)[C@H](C)CCC(C)C	1996585368	HGZHPMWCKNDXTM-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(NCC23CCC(CC2)C3)c(Cl)c1	1997005943	KZFAZHUBEOMRJV-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@H]1CCC[C@@H](CC)CC1	1997116436	KRQISUXAOFPENI-FZKCQIBNSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCCCN[C@H](C)C1CC(C)(C)C1	1998638797	MCTGYVFCLOKQRI-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC(C)C)C[C@@H]1CCC[C@H](C)C1	2000251400	CEKIYISCPAJPRG-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)C)C1(C)CCCCCC1	2000391051	TYBGCOQNFIEKNT-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)CC1CCC1	2000499561	LTQGYAJBWGAOPF-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@H]1CC12CCCCC2	2001212844	BZDMYLCLXMQBNN-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CC(C)CCC[C@H](C)NC[C@]1(C)CC=CCC1	2001693310	GJRGRSXFJXDIEC-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC1CCC(C[C@@H]2CCCCCC[C@@H]2O)CC1	2003101403	WLCDNOJUCXYBLJ-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
C[C@]1(C(=O)c2sccc2C2CC2)C=CCCC1	2003333597	FDXRPFJSYVQQOD-HNNXBMFYSA-N	246.375	4.555	0	10	BJAE	
Cc1csc(C(=O)C2(C)CCC3(CC3)CC2)c1	2007681892	RSHLVBKZBNZJFH-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCC(C)(C)CC[C@H]1NC	2009410697	LDPBORNLDBCFBJ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1(CCC)CCC1	2009616209	GTTGADXWQVVRHB-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CC3(CC3)C2)cc1Cl	2012414308	XBLHTPOLRCHDGG-NSHDSACASA-N	249.785	4.639	0	10	BJAE	
CCC(CC)C[C@H](N)CC12CCC(CC1)CC2	2012820294	QFADMPJQUDKGIU-PCKAHOCUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(CC12CCC(CC1)C2)C(C)(C)C	2012837018	SRGLWGYHIQTABU-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC(C)C(CCC[C@H](O)C1CCCC1)C(C)C	2015357148	KDHCLYGGRHRWSK-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@H](C)CC2)CCC1	2015643051	XUIQEJYFZSQSPU-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H](C)CC(C)(C)C)CCC1	2015644490	NJRUDOMVYJDYRS-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](NCCC)C1(CC2CC2)CC1	2015753259	PGSCEIYRRISSBJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@H](C)CC(C)(C)C	2016118132	VSNIVGDPMZOQKV-GDBMZVCRSA-N	239.447	4.913	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNC1CCCCCCCC1	2016827333	RFDPPQGNJNLRAP-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@H](CC1(C(C)C)CCC1)NC	2017142506	HXJUWHHRCVOWTJ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCCC)C(C)=C(C)C	2017475240	LOPCJKKUZPJORM-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CCC(C)(C)C)CC1	2017656325	VZHNIWMLOBBZQW-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)N(C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2018185293	WXOYFUUKBPHNIR-QXSJWSMHSA-N	239.447	4.712	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@]12CCCC[C@@H]1C2	2018567563	BEFVVZYHPGDWQE-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CN(C)C1CCCCCC1	2019190412	FHPOFBGXDXLRNY-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCC(C)(CC)CN(C)C[C@H]1CC[C@H](C)CC1	2019454638	VFGZIASBSSWDAQ-SHTZXODSSA-N	239.447	4.571	0	10	BJAE	
CCN[C@@H]1[C@H](CC(CC)CC)CCCC1(C)C	2020361457	PVHUZINUTVBNIN-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1C[C@H]1C1CCCCC1	2022414092	ZILOEIZGJZNGLN-TZARZLCXSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCC(=O)C[C@H]1C[C@H]1C1CCCCC1	2022555222	VOVKBPWYNRNUOL-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@H]1CCCC(C)(C)C1	2024095648	RWGJJOFFKRPEEM-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCC1([C@@H](O)C[C@H]2CCCC(C)(C)C2)CCC1	2024125747	VICPPUAIEYXZAA-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@H]1C=CCCC1	2026147551	VAVXZJUOKKBVLA-HRCADAONSA-N	238.415	4.700	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CC(C)(C)C(C)C	2027518988	YADXNWBYZLFGMR-MRXNPFEDSA-N	248.410	4.916	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1ccccc1C1CC1	2028557764	QFSISJVCEPBJRA-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CCCC(CCC)C(=O)c1ccccc1C1CC1	2028576975	LBCWVOKELBUKPE-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC1C[C@@H]2CC[C@H]2C1	2028988650	VCTMKTSBHXKGLT-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2031820126	WODBMAPXFNSRPK-NHAGDIPZSA-N	244.378	4.640	0	10	BJAE	
CC(C)c1ccc(NCC2CCC(F)CC2)cc1	2032176298	AZWZFZBYEIUEPJ-UHFFFAOYSA-N	249.373	4.750	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)c1	2035406263	APQDMJZHKRWOQW-XPKDYRNWSA-N	249.373	4.617	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)CCCC1CCC1	2037144269	WMERUWLZNPUSEG-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
NC[C@@H]1CCCCC[C@H]1[C@@H]1CCC2(CCCC2)C1	2037694615	NQPVYBGZYFBEEZ-PMPSAXMXSA-N	249.442	4.502	0	10	BJAE	
CC1CCC2(CC1)CC(NCC1(C)CCCC1)C2	2038932569	FRZQRIBSMHGICE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c([C@H](N)[C@@H]2CCC[C@H](C)CC2)c1	2039364087	VAZATFLLJKGUGM-XGWLTEMNSA-N	245.410	4.520	0	10	BJAE	
CC1CCC([C@@H](C)NCC[C@@H]2CC=CCC2)CC1	2040637846	GBUSNWNNKCKNHP-JCCCHCCOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CN[C@H]1CCCC2(CCCCC2)C1	2040765437	QNMFMPBGYHGNPR-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@H]1CC=CCC1	2042016107	GTHXSJOFPRRTPK-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)[C@@H]1CC=CCC1	2042024060	IEYMMDYWNMCGOB-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@]1(C)CC=CCC1	2042027247	LJRKEPNGKOPXRL-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@@]2(C)CC=CCC2)cc1	2042069397	JIYDSELDJUXEGP-SJORKVTESA-N	244.378	4.590	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CCC=CCCC1)C1CCCC1	2045308326	SZEWIVSQZMSVDB-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)[C@@H]1CCC[C@@H]1C	2045321584	WZDADBYVTCDILT-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CN([C@@H]1CCCC(C)(C)C1)[C@@H]1CCC12CCCC2	2045525519	VIJWJMQPFNJGNJ-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CC[C@@H](CNC2CC3(CCCCCC3)C2)C1	2046230462	SCINUYQVLXHWIS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC([C@H](N)C[C@H]2CC23CCCCC3)C1	2047009183	PSNLXLNAPARCSO-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C[C@H]2CC23CCCCC3)C1	2047055611	MGILCWWLEFMTRN-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@H]1[C@H]2CCCCC[C@H]21	2048367473	ZPPOTZXHYAHVCQ-SCAQPMJSSA-N	246.394	4.518	0	10	BJAE	
CCCC1CCC(N)([C@H]2[C@H]3CCCCC[C@H]32)CC1	2049225044	KVZSRPIYFCKJCD-JSGMBBGDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)NCCC2=CCCCC2)C1	2049539234	FQNUYZILBBTTMC-INMHGKMJSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@@H](C)[C@@H]1CCCC(C)(C)C1)c1ccoc1	2049539482	HCQRHCYPTAECKO-MELADBBJSA-N	249.398	4.535	0	10	BJAE	
C[C@H](NC[C@@H]1C=CCCC1)[C@@H]1CCCC(C)(C)C1	2049539534	HPZWFFLBOBNDLT-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@@H]1CCCC2(CC2)C1	2049851829	CKDKIRMLOYGENA-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CNC[C@]1(CC2(C)CCC2)CCCCC12CCC2	2053354492	FHDCTZHOJDHYDI-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)[C@@H]1CCCCC12CCC2	2053354706	GCIXVTDYJJWQOY-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccncc1N[C@H]1CCC[C@H](C)CC1	2053852905	CJUSNKZHUIMQGB-KBPBESRZSA-N	246.398	4.586	0	10	BJAE	
CCCN[C@H]1C[C@@H](CC2CC=CC2)C[C@@H](CC)C1	2055030232	JMZFYFKGOHSIMT-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@@]1(CNC(C)(C)C)CC=CCC1	2055301095	MPWSFLIMSIGQLZ-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@@H](N)C1=CCCCCCC1	2056449516	PKIMMUIAHRXSIE-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CC=C(C)[C@H](NCC)c1ccc(CC(C)C)cc1	2056783135	SFDAFSOTJALKNZ-KRWDZBQOSA-N	245.410	4.502	0	10	BJAE	
C/C=C/CCC[C@@H](O)[C@H](c1ccccc1)C(C)C	2059224581	CILAGEVQHBPOOS-FDRQBBGKSA-N	246.394	4.534	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H]1[C@H]2CCCC[C@H]21	2059250746	TWSDQROMZFHXBA-XTJKPPFFSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1ccccc1CC	2059257112	UYKPJVVNDPKFKQ-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
C[C@@H]1CC=C([C@]2(N)CCCC[C@@H]2C(C)(C)C)CC1	2060914651	UEQSRVVZOAFSOK-FRFSOERESA-N	249.442	4.667	0	10	BJAE	
CCC1([C@@H](NC)C2=CC[C@H](C(C)(C)C)CC2)CC1	2061095433	MYCTVQBPWIPXAW-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(C1=CC[C@H](C(C)C)CC1)[C@H]1CC1(C)C	2061122367	ODTQOWOLEXBBEX-QRTARXTBSA-N	249.442	4.523	0	10	BJAE	
Cc1ccc2c(ccn2CC[C@]23CCC[C@@H]2C3)c1	2061604494	ZSBRCDQALHLBSF-WBVHZDCISA-N	239.362	4.530	0	10	BJAE	
CCCNCC1(CC[C@]23CCC[C@@H]2C3)CCCC1	2061614443	VDNRQPUONLTTFV-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC(N)(CC[C@]23CCC[C@H]2C3)CC1(C)C	2061617260	OFYIIIOAPIOFMW-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1CN[C@H]1CCCCCC12CC2	2062018245	DHBGTTWJGFGCKB-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCNCCC=C(C)CC1C[C@@H]2CCC[C@H]2C1	2063492583	ZPZLSCDQNQMFMF-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1CC2(C1)CC2(C)C	2064133620	WUJQOFLEVLSXJK-SMOJQAGNSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)CC12CCC(CC1)CC2	2065285806	JQFCJPNDEAPVML-YXXKGXSTSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)Nc1cccc(C(C)C)n1	2066345707	ZHEZIZSVXYUKLA-UONOGXRCSA-N	248.414	4.688	0	10	BJAE	
CCC1(CC)CC(Nc2cccc(C(C)C)n2)C1	2066347397	QMUIDINZZVYKTQ-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)c1ccc(CN)cc1	2067354636	NMHQIFMQIKLDNA-HUUCEWRRSA-N	247.426	4.855	0	10	BJAE	
CCCC1(CN(CC)c2ccccc2C)CCC1	2069267404	AMNDWBPKNRDAMM-UHFFFAOYSA-N	245.410	4.792	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCCC3(CC3)C2)CCC1	2069335887	UAQAQRSNOQDIAL-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1CC(C2CCC2)C1	2070396577	BJGGASKFXQZEDO-HPUBIQBYSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@@H]1CC[C@H]2C[C@@H]12	2071198481	GJWLIVWMTHYTOS-JONQDZQNSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc2c1ccn2CC1(C(C)C)CCC1	2071926498	PYKXHWIYVKGZNB-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2C=CCCCC2)CCC1	2071929775	DINLBFXYJDRUEA-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1CC2(C1)CC2(C)C	2072426907	SVYPMHLIIFVWDT-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@@H](O)CC[C@H]2CC[C@H](C)CC2)c1	2072779197	ZGECKPWPICTBDJ-QRTARXTBSA-N	246.394	4.635	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)C2(C3CCC3)CC2)CC1	2072792821	DOGMXZSBGYYVQR-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)[C@H]2CCCC23CCC3)CC1	2072807359	VJBICDYCRBRUST-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H]2CCNC3(CCCCC3)C2)C1	2074133244	KUMZJKOTKCWMBI-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)N(C)CCCc1ccccc1	2074921897	KECPTISVYCXEEP-QGZVFWFLSA-N	247.426	4.520	0	10	BJAE	
C=CC=CCCN(CCCC)C1CCCCCC1	2076558965	QMAZZQZLDLFUTD-UHFFFAOYSA-N	249.442	4.944	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2C[C@H]2C2CCCCCC2)N1	2079670004	KHGTYYWSWBMBES-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2079852482	QSQCPYCAFXMEAH-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@]1(N)CCC[C@H]2CCCC[C@@H]21)C1CCC1	2081118085	JFNGGVGGPSERSR-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](N)CCCC1C[C@H]2CCC[C@@H](C1)C2	2213300914	YIGPFKWWYQVMAD-QXULXFAOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@@H](CCCCCCC1CC1)NC	2213573353	GSHGSWAKHCIMEN-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@H](CC(C)C)C(C)C	2215347798	ZJYZONQQRUXQDB-RBSFLKMASA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC(C)(C[C@](C)(O)C2CCCCC2)C1	2215382067	DAQGKXXCETYGKE-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](O)CCC2CCCC2)C1	2215395037	WDXLZSAGAIGQBO-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)[C@@]1(C)CC=C(C)CC1	2215810545	UVBQNRXIILYOGT-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C1(C(=O)CCCCC(F)F)CCC1	2216514034	PAODNWOJYCXDHO-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@@H](C)[C@@H](C)CC	2217139771	XBCJQUBBLFFXEW-XUWVNRHRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@](C)(CNC1CCC1)[C@@H](C)CC(C)C	2217142628	XBKRAQLPHYQBQX-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NCC1(CCC(C)(C)CC)CCC1	2217148108	OODXFAGAWOXKLI-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN([C@@H]2CCC[C@H](C)C2)C1	2218168933	QRWZGGVEMPIBGM-YESZJQIVSA-N	249.442	4.633	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CC=CC1	2218331036	ITYUKPAAUOBCCH-QDMKHBRRSA-N	246.394	4.518	0	10	BJAE	
C(CCN[C@@H]1CCC[C@@H](C2CC2)C1)CCC1CC1	2218749406	IYDHZFWZSLGZQP-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
C(=C/c1ccccc1)\C[C@H]1C[C@H]1c1ccccc1	2219076169	MJWRBWFRGPUEES-CEKAGXKUSA-N	234.342	4.894	0	10	BJAE	
CN[C@@H](C1CCCCCC1)C1(C)CC2(CCC2)C1	2221005451	SMSNEXIDNOOXED-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](O)C2=CCCCCCC2)CC1	2221612808	APXYYHMNZREBPF-DLBZAZTESA-N	248.410	4.764	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)C2=CCCCCCC2)CC1	2221633689	VOHZIHHFGCZNLL-IAGOWNOFSA-N	247.426	4.731	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CC[C@@H](C)C2)CC=C(C)CC1	2221666704	JDHCQLVQRMVVSB-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCC(C)(C)Nc1ccc2cc(C)ccc2n1	2224118584	BGCUPIWNRWQHJK-UHFFFAOYSA-N	242.366	4.534	0	10	BJAE	
CC1CC(C)(C[C@@H](N)C[C@H](C)CC(C)(C)C)C1	2246584293	ISTRHYREDASDGU-REWIBIJMSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H](C)C(=O)CC[C@@H]1CCCCC12CC2	2246630615	PYJILSMYNLINDN-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCC[C@@H](N)C(C)(C)C)C1	2246658885	DMVMHIQGFVUHQA-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CCCNCC[C@H](C)CC[C@H]1CCC[C@H](C)C1	2246687562	PEZPLIWIVRWASW-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(O)(CCCC[C@H]2C[C@@H]2C)CC1	2247116698	AYQYJKMDXPTYLV-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H](C)[C@@H]1CC12CCC2	2248283722	QLEUCTRENYBFLA-AAEUAGOBSA-N	249.785	4.639	0	10	BJAE	
CCC[C@H](CCCCCC[C@H]1C[C@@H]1C)NCC	2248813904	JHZLZHXEUUFPOR-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC[C@H](C)CCCC(C)C)C(C)C	2250468378	CODKREGCGLCJMC-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1CC[C@@H]1C(C)C	2250474176	LJLFDCCKITVTLD-JKSUJKDBSA-N	239.447	4.569	0	10	BJAE	
CCNCC1(CC[C@@H](C)CCCC(C)C)CC1	2250492642	WNFDUHZUFQOFAS-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C(=O)c1ccc2ccsc2c1)C(C)C	2253131009	AYSUCXMGSBYZDH-CYBMUJFWSA-N	246.375	4.766	0	10	BJAE	
CC1CC(C)(C[C@@H]2c3ccccc3NC[C@@H]2C)C1	2253748844	BCQHRHJIQLJBJK-INCLHDFMSA-N	243.394	4.658	0	10	BJAE	
CCc1cccc(NCC[C@@H]2CCC[C@@H](C)C2)c1	2253968064	IGVNOIPPVZKEEM-ZBFHGGJFSA-N	245.410	4.877	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCCC3(CC3)C2)C1	2253998111	SZCOIGLTBUMIGJ-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C2CC3(CC(C)C3)C2)CC1	2254452880	GOZCDUNGWAZSJW-NNSQQDGLSA-N	249.442	4.501	0	10	BJAE	
C1=C(Cc2cccc(OC3CCC3)c2)CCCC1	2255131143	PLLJAKSEPAAUHR-UHFFFAOYSA-N	242.362	4.661	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNC1(CC2CC2)CCC1	2257312023	PJGBNPOBSHTFLA-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(NCCCCC[C@@H]2C[C@@H]2C)cc1	2257326882	PQZQCRPDSVKCQH-GOEBONIOSA-N	245.410	4.877	0	10	BJAE	
O=C(CC1CCCCC1)C[C@@]12CCCC[C@@H]1CC2	2260569723	NHOOPCTZZNFEDB-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
Cc1cccc(NC[C@]23CCCC[C@@H]2CC3)c1F	2260580848	CGNNNVMYQNGYSG-CZUORRHYSA-N	247.357	4.516	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@]12CCCC[C@@H]1CC2	2260678356	KVMRTMCYIOLGKK-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)C[C@@]12CCCC[C@@H]1CC2	2298723487	GRXCVCQNQTYTMG-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@](C)(O)C1(C)CCCCC1	2298848584	JACWYBNMSOHHCE-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H](C)CC1CCC1	2298907168	FTNIBZTYGBPPJN-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](C[C@H](C)C(C)(C)C)NC	2300683464	JVNAJBCUAKBLQO-ZFWWWQNUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CCC(CC)CC)CNC1CCC1	2300688639	PAGJKXHVIWFBSR-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCCCC1CC1)CCCC(C)(C)C	2302574571	OSLNFZHUEBORBN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H](C)C(C)(C)C)CC1	2303591570	BHHXWZFWHPKNPJ-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H]1CCCCC[C@H]1C	2307746597	GPKGYLYKKIIUKO-PMPSAXMXSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)CC1(N)CCC(C)(CC)CC1	2307897253	AEKMRJPHCUOYNV-FHERZECASA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCC[C@@H](C)CC1	2307925685	JROPNFOSVMDAJV-QLFBSQMISA-N	238.415	4.988	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](C[C@@]23CCCC[C@@H]2C3)C1	2311163008	XFQGXXYFQZQQCT-LJIGWXMPSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@@](N)(C[C@@H]2C[C@H]2C2CCCC2)CC1	2311571504	JHYDVNOHCUGVBN-HJWJTTGWSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@](N)(C[C@@]23CCCC[C@@H]2CC3)CC1	2313352940	FMDXOQAXUKBUTP-YVSFHVDLSA-N	249.442	4.645	0	10	BJAE	
CC(=CCN[C@H]1CC(C)(C)CCC1(C)C)C1CC1	2315260738	KZILOLXSINRCPQ-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H](C)CC=C(C)CC	2316539404	JRKRIEKSAXSIDN-RDJZCZTQSA-N	245.410	4.720	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC=C(C)CC)CC2(CCC2)C1	2316568217	OEPNFONKQKBYGF-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC)CCC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317148813	PQAXTMFFZCRDBV-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@H](C)[C@H](C)C(C)C)CC2	2317949826	BZJCNCIPKCKSPW-FMKPAKJESA-N	245.410	4.650	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@@H]1CC12CCCC2	2318537725	GMWZSXJYKBIHKQ-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC=CC[C@]1(CO)CCCC1=CCCCC1	2318538787	MZEBUIIIMNDNKN-NVXWUHKLSA-N	248.410	4.622	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CCCC[C@H]2C[C@H]21	2319232756	BGYHONOXEMRIGW-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
Cc1c(F)cccc1NC[C@@H]1CC[C@@H]1C(C)(C)C	2320239479	DOLPXWZUZDEXNZ-STQMWFEESA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(O)CCCC(C)=C2C)CC1	2320336582	HBSNNJPZCDSBIM-SJORKVTESA-N	248.410	4.764	0	10	BJAE	
CCC[C@@H]1CCCCN1C[C@H]1CCC(C)=C(C)C1	2320346289	DRPNOAKOXHPNCI-DLBZAZTESA-N	249.442	4.778	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](C)CCC=C(C)C)c1	2321097235	ZQKVGEVVGXFQFN-ZDUSSCGKSA-N	249.373	4.935	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](C)CCNC(C)C)c1	2327789440	KBTTUVQRNRVYQZ-HNNXBMFYSA-N	247.426	4.610	0	10	BJAE	
CCC[C@@H](CC)CN(C)Cc1cccc(C)c1C	2328084548	IOPNHIJERHOUNH-MRXNPFEDSA-N	247.426	4.562	0	10	BJAE	
CCC[C@H](C)[C@H](N)c1c(C)c(C)c(C)c(C)c1C	19985698	AHJLLHDBLGNSPF-BTDLBPIBSA-N	247.426	4.665	0	10	BJAE	
CC(C)C[C@]1(O)CCCC[C@H]1C1CCCCC1	37375733	JLYGOWCBQAJKGM-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](NC[C@@H]1CC=CCC1)c1cccs1	49541294	NZXPBJWVWZFYGT-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
CCN[C@@H](c1ccc2ccccc2c1)C(C)(C)C	54441168	KSKXHJXZMFYTCH-INIZCTEOSA-N	241.378	4.537	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCCC[C@@H]1CC	68986490	CCUYJIMNPWGLPC-RRFJBIMHSA-N	225.420	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)CC2CCCC2)C(=O)C1	69405104	QDDZXOSDMNSIBK-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1CCCC[C@@H]1CC	70941705	WRFVIDBPYASBHJ-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)CC(CC)(CC)CNC(C)C	71128040	ZLKYMMTXUPUGSU-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccccc1NCCC1CCCC1	78526267	KCVGMLCGLZXDAL-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCN[C@H](CCCCC(C)(C)C)c1ccccc1	80424688	GQUPHTPQEWKVCJ-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CC(C)c1ccc([C@]2(N)CCC[C@@H](C)CC2)cc1	86884089	RKYATLYULGGVDG-PBHICJAKSA-N	245.410	4.564	0	10	BJAE	
CC(C)Cc1ccc([C@@H](O)CCC(C)(C)C)cc1	94902074	NZALQJOQPRANEE-INIZCTEOSA-N	248.410	4.745	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@@H]1CCCC[C@@H]1C	104004546	XZRYLLQYCPNZAM-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)C1CCCC1	109753290	OFUWGJYPDOSHFX-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
Cc1cc(-c2nc(C(C)(C)C)cs2)ccc1F	131926592	RYYRLDODSCEUGI-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@@H]1CC(CC)CC	150085870	IHJRGTNKIUYAMO-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCNCC1(C2=CCCCC2)CCCCCC1	161449989	RCSRUTZIKOUASZ-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)CC1CCC1	167108871	CBGFCYSWVJFNLK-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCNCC1(C2CCCCC2)CCCCC1	168014907	SBHGHFOXZDFQCP-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@H]2C(C)C)cc1F	214408828	WJICMANSLAZQRT-HOCLYGCPSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](CC)c1ccco1	225984837	FICWAPBABIAFMB-ZIAGYGMSSA-N	237.387	4.679	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	227182936	KGZFTQNMWDMEHT-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCC[C@H](C(C)C)C1	230986235	WUYGWZOBDGITIF-ZFWWWQNUSA-N	249.373	4.761	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCC[C@@H](C(C)C)C1	230986267	QGTZTUPWDFLJNG-HZPDHXFCSA-N	245.410	4.876	0	10	BJAE	
CCCCCc1c[nH]c2c(Cl)cccc12	233048134	CDEZFIWSTXPMAK-UHFFFAOYSA-N	221.731	4.554	0	10	BJAE	
CCC[C@H](CC)Nc1ccc2nc(C)sc2c1	233345854	OFBKBGMFBAVSSN-NSHDSACASA-N	248.395	4.595	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H]1CNc2c(F)cccc21	235396384	PRUWOBCEBYNCEH-RISCZKNCSA-N	247.357	4.551	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2ccc(C)cc2F)C1	235398949	AVBZTCGXERBKPC-JSGCOSHPSA-N	247.357	4.538	0	10	BJAE	
Cc1ccccc1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	252425855	QOHKANFHZFATRQ-HRCADAONSA-N	243.394	4.766	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)CC(C)C)c1ccccc1	302299058	HCONGVNKUGUSDW-RDJZCZTQSA-N	248.410	4.747	0	10	BJAE	
CC(C)Cc1sc(C(C)(C)C)nc1C1CC1	304376456	VSILLLQYRRAWSN-UHFFFAOYSA-N	237.412	4.517	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)C[C@@H](C)CC(C)(C)C1	306010791	WSTJVCPGRUCMPN-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1CCCCC1)NCC	306060297	WSGSSZFLZVQHNM-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CSc1c(C)sc2ccc(Cl)cc12	306880942	GTMKCJWQWHANIG-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1cc2c(Cl)cc(Cl)cc2s1	307531267	UGNZIWIZZPUYPY-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCCC[C@@H](NCC)[C@@H](CCC)CC(C)C	308056056	PWKADMTYLYRKQJ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)c1nc2c([nH]1)CCC[C@H]2C	308060009	XDORSEWSANVWEZ-OLZOCXBDSA-N	248.414	4.779	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1(CC)CCC1	309378684	RFSYAAHQYRPUBE-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC1(C[C@H](O)CC2CCCCCC2)CCCC1	310280493	PKOIDADDAWMPML-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@]2(N)CCCC(C)(C)C2)C1	310405305	LNNPPTHOPCGEIV-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C(=O)CC2CCC(C)(C)CC2)c(C)o1	310804308	YANIDQXQXPTMTD-UHFFFAOYSA-N	248.366	4.686	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@H](CC)C2)ccc1C	379767541	KZXPKSBYUNWPGU-DZGCQCFKSA-N	231.383	4.548	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)CC1(C)CCC1	379998751	XBAMKBHUHZPAQE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](c1ccccc1CC)C(C)(C)CC	381194670	ZKCLDBVQUMKQRD-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1csc2ccccc12	383389726	JVQUZUTYGODADH-XHDPSFHLSA-N	248.391	4.617	0	10	BJAE	
CC(C)c1ccccc1OCC1(C)CCCC1	383733035	HHRBQIQXKRCAKF-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CC1(C)CCCC1	383958195	JDKXZFWTWBJJLS-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C1(CC)CCCC1	384509285	SKFBRNXFXWRYPR-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CCc1cc(N[C@H](C)CC(C)(C)C)ccc1C	384679702	DJLUYUSTXBIYFC-CYBMUJFWSA-N	233.399	4.794	0	10	BJAE	
CC(C)C(C(=O)c1cc2ccccc2o1)C(C)C	385383503	UVZGCXLQMPFYAE-UHFFFAOYSA-N	244.334	4.544	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CCCC12CCC2	394776260	ONCKDECWLSCEPM-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(N[C@H]2CCCC23CCC3)CC1	394858135	JKDPYFAGLJQQQS-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccc(Cl)cc1F	394987391	IKAOFAVYYCHTEX-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
CC[C@H](N)C[C@H](C)CC[C@H](C)CC(C)(C)C	396699698	UVIMSFKQYKGECC-RDBSUJKOSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](Nc1ccc(C)cc1)[C@H]1CC1(C)C	397667411	YNFBVONBZALKDB-CABCVRRESA-N	231.383	4.622	0	10	BJAE	
CCCCCC[C@](O)(CCC)[C@H]1CC1(C)C	397736118	GRXVOYHQTLVYOW-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
FC(F)(F)c1cccc(CCC2=CCCC2)c1	401065935	HLOBTGSVTJEFFM-UHFFFAOYSA-N	240.268	4.748	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)CC2=CCCC2)C(=O)C1	401096284	ZSVJALIXUQKSHC-TZMCWYRMSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1/C=C(\CNC1CC1)C(C)C	401740319	IVFXUEUFNGTQHY-AJMXMICASA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)CCC(C)C	688361311	ZZPBJAJUITXRGH-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](O)c2cccc(C(C)C)c2)C1	688950515	MEMKDWHDUURSHX-KBRIMQKVSA-N	246.394	4.670	0	10	BJAE	
CCC[C@](O)(c1cccc(C(C)C)c1)C1CCC1	688983693	QPHVBHOYEGHWIB-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)[C@H](C)CC)c1	689593730	BPEWHIKXKJQKCQ-OLZOCXBDSA-N	233.399	4.658	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccc(C)c(C)c1	696673008	OVWZXQMTGLVNDH-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CCCC[C@H]1C	697759769	UIJAWCDPTGPYPM-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)CC2(C)CCC2)C1(C)C	699084376	JMPRMPIUMDVFFJ-WBMJQRKESA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccc2sccc2c1	701091773	QUTZTEOWBNQMMA-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CCN[C@@H](C1CCC(C)CC1)C(C)(CC)CC	701131794	BBCOFBMNFWZLAM-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1N	701153482	GOBSJSPETFZESS-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)[C@@H](C)CC(C)C)c1C	704735649	MYGKOEZQYANWTA-SUMWQHHRSA-N	247.426	4.602	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H](C)CC(C)C)cc1	709126861	PNLJRIBTJDGHIR-CQSZACIVSA-N	246.394	4.894	0	10	BJAE	
CCC(C)(C)C1CCC([C@@H](N)CC(C)C)CC1	710131550	STRJQWQVWXFNOS-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@H]1CCCC2(CC2)C1	710135745	NBIWNZXKKDOMNR-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc([C@H](O)C[C@H](CC)C(C)(C)C)c1	711087650	OQYQPKSBIYMZFP-JKSUJKDBSA-N	248.410	4.745	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1cscc1Cl	711564915	CHLWJLMRXRXKHY-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
CC1CCC(C[C@@H]2CC[C@@H]3CCCC[C@@H]3N2)CC1	712299855	OYFAHFBDIDIUNI-YOTSKQKMSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1C[C@@H]2CCCC[C@H]21	712392898	WBJLGVLGQCZBBW-NJZAAPMLSA-N	249.785	4.639	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CC(C)(C)C(C)C)C1	713270496	YAYNELWPVSFVNP-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C(C(C)C)C(C)C	713271983	KXIPMRZUCUIRMC-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CC(C)=C(C)CCNc1ccsc1Cl	718560499	ARTIEDUCZRFGCO-UHFFFAOYSA-N	229.776	4.560	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@@H]1CCCCCC1(C)C	719223363	QSHLPSLOFOXEIV-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(SC[C@@H]2CCCC[C@H]2C)c1	1165583789	DFTUCGKORDZWPM-KGLIPLIRSA-N	234.408	4.913	0	10	BJAE	
CC[C@H](C)CSCc1sccc1Cl	1559386765	CXDQRXZZYNXIPC-QMMMGPOBSA-N	234.817	4.681	0	10	BJAE	
CCCNC[C@](C)(CCC)CCC[C@@H]1C[C@H]1C	1908556472	VRZURJRPGAAJRI-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
C=CC=CCC[C@]1(CNC(C)C)CC[C@@H](CC)C1	1912128042	GCUKYSFEVUVESB-SJORKVTESA-N	249.442	4.703	0	10	BJAE	
CN[C@@H](C1CCCCCC1)C1CC2(CCCC2)C1	1912597650	UTDGYQDNIKURPZ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
c1cc(NC2CC3(CCCC3)C2)cc(C2CC2)c1	1912712592	DGFRDBPVCVKUPP-UHFFFAOYSA-N	241.378	4.699	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CCC1CCCC1	1919945247	BRJVEDVSUBCJLE-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC1(C)C[C@H]1CC[C@](C)(N)CC1CCCCC1	1921564117	QKCIBBLGNMYCJE-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@H]1CCCC12CCC2	1921594581	GNJJFOYVFIROGB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
FC(F)CCCC[C@@H]1C=CCCCC1	1925856368	FRVYTRNQFBNQAL-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
CCC(C)(CC)C(=O)c1cc(Cl)sc1C	1933558004	CFZCVRBOZXGFKV-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
CCC[C@@H](C(=O)CC(C)(C)C(C)C)C(C)C	1936212534	NYWIXQGPCPBJBF-CYBMUJFWSA-N	226.404	4.700	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1(C)CCCCC1	1940380368	RKQQZGVVRCXPEE-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)CC1(C)CCCCC1	1940405464	BVGMTAMCMHPMHC-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)CC1CCCC1	1940795117	FGZIIPWSQPMDLH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](O)(CCCC1CCC1)[C@@H]1CC1(C)C	1941470675	TWXFGYSNIJKLFU-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CNCCC)C1CC1	1942091452	SIDUNKAEUPJLLC-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)NC[C@]12CCCC[C@@H]1CCC2	1944195388	QXTARTFRAJGPTM-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CNc1ccccc1C1(C)CC1	1944599044	XAYSUELTQULNGI-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1cccc2sccc12	1945947799	PNSIRWPUPJWTJF-XHDPSFHLSA-N	247.407	4.598	0	10	BJAE	
Clc1ccc2c(ccn2C[C@H]2C=CCCC2)c1	1947571111	VHPCVFPMQDNZQD-LBPRGKRZSA-N	245.753	4.651	0	10	BJAE	
CCC[C@](C)(CCC(C)(F)F)CNC(C)(C)C	1947999041	UUBLDAPDBPXBQD-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@H]1CC12CCCC2	1948143974	KYQADGUAQFHLFO-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC1([C@H](N)CCCC2CCC2)CCCCCC1	1949016420	KEKOJOKMXDCVSC-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CCC(C)=C(C)C)C1	1949044777	ZPTWDHWUFKBTRO-ARFHVFGLSA-N	237.431	4.667	0	10	BJAE	
Cc1ccc(-c2ccc(N)c(C)c2C)c(Cl)c1	1949229531	XHANPCKBORSNQX-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CC1CC2(CCC2)C1	1949836794	CGMVIUCBCZNZCV-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCSc1cccc(N[C@H](CC)CC2CC2)c1	1950110463	HZXMQSWPSTXBSD-CYBMUJFWSA-N	249.423	4.789	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCC3(CC3)C2)cc1Cl	1968265412	JZUPAQISBLNTKG-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
Cc1ccccc1N(C)C[C@@H]1CCCC(C)(C)C1	1968567185	UPTDZFPAHQTQHQ-OAHLLOKOSA-N	245.410	4.648	0	10	BJAE	
CCCC[C@](N)(CC)[C@@H]1CCCC(C)(C)C1	1978352999	OQHPFEQPRZQYDJ-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1csc(C(F)F)c1	1978581982	GBHOPLSEDNHYQL-VIFPVBQESA-N	247.354	4.512	0	10	BJAE	
CCCC[C@@](C)(CC=C(C)C)CNC(C)C	1978638371	LGBUVTVFMMDVPE-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC(C)CCCCC[C@@H](O)c1cscc1F	1982846927	QNECJBSADPZQHH-CYBMUJFWSA-N	244.375	4.527	0	10	BJAE	
CC[C@@](O)(CCCC1(C)CC1)CCC(C)C	1986942599	CSZNSDRDVDSTPA-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@](C)(O)CC(C(C)C)C(C)C	1988235427	YYXWONWXQVARPE-OAHLLOKOSA-N	228.420	4.636	0	10	BJAE	
FC(F)c1cccc(CCC2CC=CC2)c1	1988322192	VUVFWBZQXHOFIR-UHFFFAOYSA-N	222.278	4.523	0	10	BJAE	
CCCC[C@H](CCC1(CC)CC1)NCCC	1990629132	QNHUVRHFCLQMSZ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](C)N(CCC)C1CCCCCC1	1991731614	RGLHKCIFXZEXGB-CQSZACIVSA-N	225.420	4.610	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H](C)C(C)C	1995262750	PGUGPKFYELLGMF-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)C1CCC(C)CC1	1996546209	HRDSNFUVTFHHKI-RAFNIBEQSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2C=CCC2)CC1	1997106253	SLPDLNBDJNXPSQ-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)c1ccccc1Cl	2000292733	FBWFSOYMPVJSCS-SMDDNHRTSA-N	248.753	4.515	0	10	BJAE	
CCN[C@@H](C1CCCC1)C1(C)CCCCCC1	2000371290	HEWAQZHZMWUZAO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Clc1cccc2c1ccn2[C@@H]1CC[C@H]2C[C@H]2C1	2001463694	KPPUKBMFOADMMU-SDDRHHMPSA-N	245.753	4.656	0	10	BJAE	
CCC1CC(C(=O)[C@H]2CCC[C@H](CC)CC2)C1	2002319655	HLQJFWZLGDPVMU-LQULJDIASA-N	236.399	4.598	0	10	BJAE	
CCC1(C)CCC(O)(CC2CC(C)(C)C2)CC1	2004338410	DGHFPQKNDHOXDT-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@]1(CNCCC)CCCC12CC2	2005564844	RBKYVQBIYSBAEB-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(CF)cc2)C1	2007029480	XCXUWLNQNJGLLJ-SWLSCSKDSA-N	235.346	4.537	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)C1(C)CCC(C)CC1	2007694137	GSFUMWZQPHKMRA-PWUWZPNHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)c1cccs1	2007938080	UJCWLQZPDDXULM-AWEZNQCLSA-N	249.423	4.679	0	10	BJAE	
CC1(CCNCC2(C)CCCCCCC2)CC1	2009537684	YNZSEKJTWNRKOU-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)C(C)(C)CC	2010628194	ZHLJFLZNTPLEAJ-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](O)(CC)C1=CC[C@H](C(C)(C)C)CC1	2010723241	UALKJWLITPMGTF-XJKSGUPXSA-N	238.415	4.700	0	10	BJAE	
Cc1cccc(N[C@H](C)C2CC3(CC3)C2)c1Cl	2012414980	ZVSWFVOHZWQLSE-LLVKDONJSA-N	249.785	4.639	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CC(C(C)C)C(C)C	2015282501	WAKBAZGDXOFAJO-ZBFHGGJFSA-N	242.447	4.738	0	10	BJAE	
CN[C@H](CCC(C(C)C)C(C)C)CC(C)(C)C	2015355807	CFWHXNRKTFONJS-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CCCCCC[C@@](C)(N)CC(C(C)C)C(C)C	2015398019	KMMONCVSSGDIJC-MRXNPFEDSA-N	241.463	4.993	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC(C)(C)C(C)(F)F	2016120609	WOBWDTQKHCPYKV-ZDUSSCGKSA-N	247.373	4.522	0	10	BJAE	
CCCC1(C[C@@](C)(O)CCC=C(C)C)CCC1	2016149522	KIGFOUWVXAMXRV-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(N[C@@H](C)C2CC=CC2)c(C)cc1Cl	2016331882	MXAKWYTYMCTTIR-LBPRGKRZSA-N	249.785	4.723	0	10	BJAE	
CC(C)(C)C1(NCC2CCCCCC2)CCC1	2017098918	ZRUMZQCEESZNOR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@H](O)C2CCCCC2)CCC1	2017113984	HFILZKBDKSHAGF-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@@](C)(CC)CC1(C(C)(C)C)CCC1	2017142673	XQIUBBYFTRZJCI-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H](CCC)C(C)C	2017476260	VZHCKFSPXSOSSS-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCCC[C@@H](CC)NCC1(C)CC(C)(C)C1	2018130154	HQAATLVDDZTDJE-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](N)(CC)CC1[C@H]2CCCC[C@H]12	2018132135	RKZOIJWUWJAUFS-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)[C@@H](C)CCC	2018997582	BZMRYQKONDXYEW-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CN(CCCC(C)(C)C)CC1(C)CC(C)(C)C1	2019322786	GALPUYIWOTXDQP-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CCC(C(C)C)C(C)C	2022416056	YYOCRIQUPFTQPU-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(N)CCC[C@@H](CC)CC1	2022563402	QNLSNQZUIMKCCE-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)[C@@H]1C=CCC1	2023257586	QYKWTVALRBDYQO-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C[C@@H](C)C1CC1	2027626931	SPYMRSNOMHAGHC-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)c1ccc(C)cc1C	2027736160	MJUGAVWXSWJNKU-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@](C)(F)c2ccc(N)cc2)C1	2027935084	FEPCXZFXQBSTTH-XJKCOSOUSA-N	249.373	4.670	0	10	BJAE	
Cc1cc(C)cc([C@H](O)[C@@H](CC(C)C)C(C)C)c1	2028235554	QPLYKEVUVZBJAX-IRXDYDNUSA-N	248.410	4.655	0	10	BJAE	
CCCN[C@H](C=Cc1ccccc1)C(CC)CC	2028590668	LKORUXBWJFLAKR-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H]1C[C@H]2CCCC[C@H]21	2028785037	ADLVANCKKJFZOA-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1ccccc1CC(C)C	2028918413	MSANDTDLYUFMRV-YOEHRIQHSA-N	248.410	4.745	0	10	BJAE	
CCCC[C@H](N[C@H](C)[C@@H]1C[C@@H]1C)c1ccccc1	2029889359	XLVGXGVVHAYUKZ-ABFRBSLYSA-N	245.410	4.552	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@]2(N)C[C@@H]3CCCCC[C@@H]3C2)C1	2035856830	AMQHRWIORDXFJU-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@](N)(CCC1CCCC1)C2	2036659330	BHLRNGUXJVHGKT-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)C[C@H]2CCC[C@H](C)C2)C1	2037044585	BNGDWSJAKLNZLC-XPYWIHLFSA-N	249.442	4.523	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C2CC3(CCC3)C2)CC1	2037136442	ZZUKYACMQFKNOL-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1CCC1CCCC1	2037223660	KFQZNGSCWYIMRI-HIFRSBDPSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC1CC2(CCC2)C1	2037977372	VWEZKWITUCZHQJ-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](CC1CC1)NC[C@]12CCCC[C@@H]1CCC2	2038362320	FOKGWQYPWPXURW-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@@H]1CCC2(CC2)C1	2038572202	OUIXYHRKGCMAFS-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@]2(N)CC23CCCCC3)C1	2039009732	SIPOMRJREFIDEX-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](N)C1CC2(C1)CC1(CCC1)C2	2039462311	QVRFSSPHVTYLJJ-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](CN[C@@H]2CCCC3(CCCC3)C2)C1	2040135640	USGKFNSFTOCNFB-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@]1(C)CC=CCC1	2042019832	RQBIHMHIGRMTEN-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@H]([C@@H]1CC=CCC1)[C@H]1CCCC[C@@H]1CC	2042024107	IQULBAIEJQVTID-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCCN[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2042341318	FNFZTTGYMXQSIG-FVQHAEBGSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1C[C@@H]2CCC[C@H]21	2045308076	QQIHKXTWFFEBLV-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC[C@H](C2(CNC3CC3)CCCC2)C1	2045516151	IILLPRPXSWUSRO-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(C(=O)C[C@H](C)c2ccccc2)CCC1	2045564462	DOMHFUSFZWHJIB-AWEZNQCLSA-N	244.378	4.576	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C1(N)CC2(CCCCCC2)C1	2046229856	ITJQPLLECRZEKR-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C[C@H]1CC12CCCC2)C1CCCCC1	2047020466	PTPSXTGQTLMESR-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(N)(CC2[C@H]3CCCCC[C@H]23)CC1	2048445879	DHFRQPLUJKQWIV-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCCNCC1(C2CC(CC)C2)CCC=CCC1	2048635611	ZOAGRVRCOASYSQ-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC([C@H](C)NC[C@@H]2C=CCC2)CC1	2049424686	JVXPDUXOTCKPQH-ORBLRFAASA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@]1(C)C=CCCC1	2049992724	QBCGHDYETIJCTK-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CCC1(C)CCC(N[C@H](C)c2ccccc2)CC1	2051595387	NACBVVCELAPKHX-ODIFPOPNSA-N	245.410	4.696	0	10	BJAE	
CC1(CCN[C@H]2CCCCC23CC3)CCCCC1	2053328768	VSOBHMJUWMBCQY-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CCCCC12CC2	2053355083	HNIKQFNKNHLXAH-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)[C@@H](C)C1CCCCC1	2053661546	GFQXYDNFSIATKP-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H]1CCCC[C@H]1C(C)(C)C	2055671008	CROHLFSDYRQJLC-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
CCc1cccc(SC(F)(F)F)c1Cl	2059094372	CRUSXVHIBDEOGN-UHFFFAOYSA-N	240.677	4.514	0	10	BJAE	
C[C@H](NCC[C@@]12CCC[C@@H]1C2)C1(C)CCCCC1	2061574037	CPEWJVOFHQLAAX-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](CN)(CC[C@@]23CCC[C@@H]2C3)C1	2061621286	FEBLJOXPPMGION-HYVNUMGLSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CCC2)C1)CC(C)(C)C	2061725022	AKFXDQXJBAIQIM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)CNC[C@H](C)CCC1CC(=C2CCC2)C1	2061728480	KQBJZVGMNWEDHR-CQSZACIVSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)[C@]1(C)C=CCCC1	2062641941	MKXRPBUNNYOHFY-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H](C2CCCC2)CC2(CCC2)C1	2063643266	ZORVZJTUAIHPJO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC([C@@H]2CC(=O)CC3(CCC3)C2)C[C@H](C)C1	2063720407	IBQTZLQJAGOVCI-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(NCC23CCC(CC2)CC3)CC1	2065263414	YJNGGKQWUNUCFR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@H](CC23CCC(CC2)CC3)NC)CCC1	2065308622	SDVMQFRYQQICOK-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C1(CC2CCC2)CC1	2069586894	JVZWMFFKCNYGHC-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CNc1ccc(OC(C)C)cc1)C(C)C	2070268263	BQZFWEFWWKWSPX-CQSZACIVSA-N	249.398	4.568	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC[C@H]1C1CC1	2071835342	ZPRIUGRGWDNCKQ-IXDOHACOSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(CN)CC23CCCCC3)CC1	2072797015	VECSYNDYIIZCNP-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
C[C@](N)(C[C@H]1CC[C@H](C)CC1)[C@@]12CCCC[C@H]1C2	2072799049	OWIMBYUGWDSUIE-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@]12CCCC[C@@H]1C2)C1CCCCCC1	2074029853	QCLHRRGWILCBBR-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]1[C@@H](CC2CC=CC2)CCCC1(C)C	2076408189	SICGQDNUIBSDEQ-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1C[C@@H]1C1CCC1	2079347401	YPEBYFSPJNSRFQ-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2C[C@H]2C2CCCC2)CC1	2079492770	STGCGMFVAJYGRV-DISOXQEGSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2C[C@H]2C2CCCC2)c1	2079802759	LCWQUTHQOLRIIM-WBVHZDCISA-N	244.378	4.509	0	10	BJAE	
c1ccc(OC[C@@H]2C[C@@H]2C2CCCCCC2)cc1	2079813724	LTGFQUCASSXCOC-DOTOQJQBSA-N	244.378	4.672	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@H]2C[C@@H]2C2CCCC2)CC1	2079852180	PCLSZTUSCHVHAB-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CC[C@@H]2CC2(C)C)c1	2082957282	GKFKOOOKEZKTPJ-CQSZACIVSA-N	244.378	4.621	0	10	BJAE	
CCN[C@@H](CC1CC(CC)C1)C1=CC[C@H](C)CC1	2085000282	FYPWRLZAKQTWKJ-GIOUXUJVSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N[C@@H]2CCC23CCCCC3)C1	2085242056	AKPKDCQGMZAYHC-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](NC2CC3(CCCCC3)C2)C1	2085244274	IGLHKCTYUCOMAC-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(Cl)cc(OC2CCCCCC2)c1	2212535300	KAUHMPVSRSFXCI-UHFFFAOYSA-N	238.758	4.750	0	10	BJAE	
Cc1csc(C(=O)C[C@]23CCCC[C@H]2C3)c1C	2213656243	GPHHCQIQQSRNFQ-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
CC(C)[C@]1(CCCCC2CC2)CCCCCN1	2214584856	RUAOBSUCHZDKRL-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCC1(CN[C@@H](C)CC)CC(C(C)C)C1	2217148149	BMXRJJFOGIFQGF-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)CCC1CCCC1	2217151626	XEDJVTXOEJJCJR-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@]1(CNC2CCC2)CCCCC1(C)C	2217158144	YTWMJVNOQNWRFE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218332522	OIRMNDKEAPFOKE-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@]1(N)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218356328	LVIWAXLZCOOZMM-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCC1(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218359119	ZQAFJCMYRDZDJN-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)ccc1CCC=Cc1ccccc1	2219077878	HRVNCNZDLYWYSB-UHFFFAOYSA-N	240.321	4.780	0	10	BJAE	
N[C@@H](CCCCC1CC1)c1ccc(C2CC2)cc1	2220044893	KYHFPLNZZRIQCQ-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CC[C@H](C(=O)CC[C@@H]1C[C@@H]1CC)c1ccccc1	2220964375	WTEPVQRXKLCMSZ-IMJJTQAJSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@]12CCCC[C@@H]1CCC2	2220965464	ZQEVIGCJQDPCHF-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C)(CCC(=O)c2ccccc2F)C1	2221075120	CROBUGDBZJFATN-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CCCN[C@@H](C)c1ccccc1C1CCCCC1	2221803629	XKOFPMUBHUFQHA-AWEZNQCLSA-N	245.410	4.795	0	10	BJAE	
CC1=CC[C@H](N[C@H]2CCC[C@@H](C(C)(C)C)C2)CC1	2222269587	SHVOKVKWKHSYLF-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
N[C@H](C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCCC1	2222972950	OYCWRIAUWGZREC-YALNPMBYSA-N	249.442	4.501	0	10	BJAE	
Fc1ccccc1NCCCCCCCC1CC1	2223116864	IOECYTUZEDIANN-UHFFFAOYSA-N	249.373	4.988	0	10	BJAE	
C=C=CCCc1ccc(C(F)(F)F)cc1Cl	2243962064	HDQXDAXGXFOSSU-UHFFFAOYSA-N	246.659	4.633	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](CC)c1cccs1	2244799258	ATRHWCHFQWPKPA-CHWSQXEVSA-N	239.428	4.615	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC1(C)CC(C)C1	2246540503	RYXALNDALSTLOR-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)CC[C@H]1CCC[C@@H](C)C1	2246667000	XEMYEAVYTGTGAP-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@](C)(N)CC1CC2(CCCC2)C1	2246820357	ONPXHCVCEIUOTO-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1cc2ccccc2s1	2246950277	WSXYZZRMNAITDX-JQWIXIFHSA-N	244.359	4.520	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@](C)(N)C1CCCCC1	2247162887	IRWWONZJSLAABQ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1CCC(C)(C)C1	2247168258	ZZRBLSFQBHDHFG-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@@H]1CCC1(C)C	2247382062	UODGZHZGDRPEJG-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCC[C@](O)(CCCCC[C@@H]1C[C@@H]1C)C1CC1	2248869302	HEOSMLZKIZCBFE-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@H](O)CC[C@H](C)CCCC(C)C	2250478000	DKFAVFLCQUZFAU-LVQVYYBASA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CC1CC(C[C@H]2CCCCC2=O)C1	2251561972	BYIWDLLBOOHCNG-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC1CC(C)C1)C(CC)CC	2251756843	GWRGNNQROHFNNI-ZBCRRDGASA-N	239.447	4.617	0	10	BJAE	
NC1(CC[C@@H]2CCCCC23CC3)CCC=CCC1	2253811194	RLORDAIZYBXJQX-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@H]1CCCCC12CC2	2253821100	QUWMVLNPBZPRTD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)C1	2253913803	GUYGNOCMALUFKP-GAGVYUBLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCN1CCCCC12CCCC2	2254608388	KACVAVXSRXISLT-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCC[C@]1(C[C@@H]2CCC23CCC3)CCCCCN1	2254960122	JTPHJUGMZJMXNK-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CN[C@@H]1CCC(C)(C)CC[C@@H]1CC1=CCCCC1	2255093234	XZNQHEPCBHAIAE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H]1CC[C@H](CC)C1	2255095110	QWEMFMKWUMILCS-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC[C@H]1CCCC12CC2)C1CCC(N)CC1	2255236935	XKOWNTJIUFRRPP-JWMHWRSXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](NCC[C@H]1CCCC12CC2)C1CCC1	2255239525	DRFRCZXJAWWCIR-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CC[C@H]1CCCC12CC2	2255279082	UUIMRYXGJDUVJF-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@]12CCCC[C@H]1CC2)C1(C)CCC1	2260675919	ZSUNJOBUFGZAHS-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@]23CCCC[C@H]2CC3)C1	2260679214	PXRZLTWXBAPYIR-USXIJHARSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@]12CCCC[C@@H]1CC2	2298726476	FWMJRYDYPJDVNV-PMPSAXMXSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCC[C@](C)(O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2300506538	AAQFAHHUJYHGIP-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CNC[C@H](C)[C@@H](C)CC=C(C)CCCC(C)C	2300883236	BSEZEEGQNUCQBZ-HOTGVXAUSA-N	239.447	4.641	0	10	BJAE	
CCC(CC)N(C)CC=C(C)CCCC(C)C	2300885050	AYMXGUUVMZNJON-UHFFFAOYSA-N	239.447	4.879	0	10	BJAE	
CC(=CC[C@](C)(O)C1(C)CC1)CCCC(C)C	2300914388	QFMBCEHMSSDETC-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCCC(N)(CCC)CC[C@@H]1CC[C@@H]1C1CC1	2303154355	JTYLLYOEWPABAX-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303464720	HRRZYMSYHSXCCJ-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@H]1CCCCCC1=O	2303476514	SEBWPCRQJHBLAL-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCC[C@@H]2C)CC1	2303602300	VDDDRYBMLKBACI-NWANDNLSSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)CC1(N)CC(C)(C)C(C)(C)C1	2307816863	JIUVPAIKVMBIQT-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)C[C@@]12CCCC[C@@H]1C2	2311144096	BPOJLWVOPFTQBQ-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC=C(C)[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1	2311535012	MELCSTYAAZMWDN-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C[C@@]12CCC[C@@H]1CC2)C1CCCCCC1	2313353021	HEVWYRZQRKIYMH-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C(CC1CC1)CC1CC1	2313658784	JDEDIPVLYBEICF-KRWDZBQOSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)c1ccc(C)c(C)c1	2316236797	YRDHQFIXCWQRNL-QGZVFWFLSA-N	248.410	4.727	0	10	BJAE	
NC(C1CCCCC1)(C1CCCCC1)C1CCC1	2316367516	PAOWNAUEYZTXMI-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H]1CCCCC12CCC2	2316503093	OBNZMYHJSRHDNA-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@H]2C[C@H]2C1)CCCC(C)C	2316568770	SKCVOXALGANJJK-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
C1CCCC(C[C@@H](CNC2CC2)C2CCC2)CC1	2316996607	TXPOORLFYVJQCL-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@H]2C[C@@H]2C1	2317929625	ZUUMRFJLOKLCMF-OUCADQQQSA-N	247.357	4.550	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@H](C)CC1CCC1	2317975629	NDQGAPZSZUYPES-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1[C@@H](Nc2ccc3ccccc3c2)CC1(C)C	2318177751	UCJCLPDVNYVUSF-WBMJQRKESA-N	239.362	4.686	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@H]1CCCC12CC2	2318589597	SDHGNXGLJQOHSO-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C2CC3(CCCC3)C2)C1	2319145737	RBSPLUKLCLSZDS-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CCC)c1cc(F)ccc1C1CC1	2319175464	GOIKBWZQERLZMZ-MRXNPFEDSA-N	249.373	4.544	0	10	BJAE	
CCC[C@@H](NC[C@@H]1CCC(C)=C(C)C1)C1CCC1	2320232970	VRNHMVXXLILICS-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CN(C1CCCCCCC1)[C@H](CC1CC1)C1CC1	2320785716	YWPRBPOPZXZVJJ-QGZVFWFLSA-N	249.442	4.610	0	10	BJAE	
CCC[C@@H](CC)C[C@@](N)(CC)c1ccc(C)cc1	2328193064	IYXWHZUCEITCLK-WBVHZDCISA-N	247.426	4.775	0	10	BJAE	
CSc1ccc(-c2cccc(Cl)c2)cc1	33369357	RCIDBLVYBHQSCD-UHFFFAOYSA-N	234.751	4.729	0	10	BJAE	
CCCC[C@H](C(C)C)N(C)[C@@H](C)c1ccccc1	33642960	BNEAHCZQSFXULG-DOTOQJQBSA-N	247.426	4.894	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@@H](C)C2(C)CC2)cc1	37044561	VGTBLGACTNITQO-KBPBESRZSA-N	245.410	4.649	0	10	BJAE	
CCCCC1(N)CCC(C(C)(C)CC)CC1	71084905	HAAIXPLZNMOXFF-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2c(C)cc(C)cc2C)C1	71117981	SVIVFENUKAXMOK-HZPDHXFCSA-N	245.410	4.993	0	10	BJAE	
CC[C@H](C)c1ccc(-c2ccc(C=O)cc2)cc1	84051787	SFXRSGQIOYMQIH-ZDUSSCGKSA-N	238.330	4.680	0	10	BJAE	
Cc1cccc(NC2C[C@@H](C)C[C@@H](C)C2)c1C	84462650	AITIFIGRCIAVLD-ODOQXGPZSA-N	231.383	4.540	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1	85085477	ADTNTLUDPWQUCA-VHDGCEQUSA-N	231.383	4.540	0	10	BJAE	
CCc1ccc([C@H](O)C2CCCCCCC2)cc1	86581086	SXKJQGUWONRVCA-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](O)(c2ccccc2)CC1	86961492	ZIVFINHPAOCHDA-RHSMWYFYSA-N	246.394	4.501	0	10	BJAE	
CC(C)CC[C@]1(O)CCCC[C@H]1c1ccccc1	87164415	UOVJHXFVDQUAAV-DLBZAZTESA-N	246.394	4.512	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)C[C@@H](C(C)C)CC3	87818890	SJAJROYBKAIBTO-ZDUSSCGKSA-N	241.378	4.546	0	10	BJAE	
Cc1ccccc1[C@H](C)NCC1CCCCCC1	89557081	OCOZMSFKVJSLEH-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
CCCc1ccccc1NC[C@@H]1CCC[C@@H](C)C1	89606394	SXCKDDLGPZAHIU-HUUCEWRRSA-N	245.410	4.877	0	10	BJAE	
CCCC[C@H](CC)c1nc(C2CCCCC2)n[nH]1	104161932	BTLFJCVKNQDJNL-LBPRGKRZSA-N	249.402	4.536	0	10	BJAE	
CC[C@@H]1O[C@@H]1C[C@@H](C)c1ccc(C(C)(C)C)cc1	107538033	WCALPAXQKVTHDS-UHOFOFEASA-N	246.394	4.655	0	10	BJAE	
CCC(CC)C[C@H]1CCC[C@@H]1CNC(C)(C)C	150078469	PFENWDKLBYCANB-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCSc1ccc(O)c2ccccc12	156334703	HGYAMPRNYOXIPX-UHFFFAOYSA-N	244.359	4.604	0	10	BJAE	
CC(C)CCC[C@](C)(CNC(C)(C)C)C1CC1	166104509	HDAQWFSUQRGJKM-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)Cc1cccc([C@@H]2CCCCC(=O)C2)c1	166176091	KIHPWVGYAZMHJV-MRXNPFEDSA-N	244.378	4.502	0	10	BJAE	
CC(C)CCCC1(C(=O)O)CCCCCCC1	166261542	XUEBQKJSURMJIZ-UHFFFAOYSA-N	240.387	4.628	0	10	BJAE	
CCCCC[C@H](O)c1ccccc1C1CCC1	168762331	YIBJWWWTKOADLD-INIZCTEOSA-N	232.367	4.568	0	10	BJAE	
CC[C@@H](C)Sc1ccc(C(C)C)cc1	204790770	BLISRRULWDSNKR-LLVKDONJSA-N	208.370	4.701	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)C[C@@H](C)C(C)(C)C	228681246	KJYGTNUMMBZLKZ-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC(CC)CC)c1ccc(C)cc1C	229164716	BFLIHEYVJIOOEI-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)c1cccc(C)c1	229293789	QEQRVYMQGGLIAJ-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@@H](CCC1CC1)c1ccc(C)c(C)c1	229557150	ZEKYQKZBMBVBDG-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1CCC12CCCCC2	230173299	XBYUMCUUDLFSKC-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNc1ccc2ccccc2c1	230692171	QBMAWSKAZDASHX-CJNGLKHVSA-N	239.362	4.688	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C1=CCCCCCC1	235811319	MERHMJZUMQHQAS-QGZVFWFLSA-N	243.394	4.584	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1	249721321	HOHJLPOXPBAOLL-CKEIUWERSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCCC)[C@H]1C[C@@H]1C	251284744	FMABYILNUVOYGH-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1	252424645	IOLSWYNNNIHYQO-HLLBOEOZSA-N	243.394	4.766	0	10	BJAE	
CC(C)(C)[C@@H]1c2cc(Cl)ccc2CC[C@H]1C#N	260586659	MGLRFFVJXONXBF-FZMZJTMJSA-N	247.769	4.556	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@H](CC)C1	300689331	GIHORNAWWOBQKZ-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)[C@H]1CC1(C)C	305907922	GNIZWWGYHPPRMJ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
Cc1cc2cc(Cl)cc(C(F)F)c2s1	306908035	NRAVQCQIQZEPLU-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCc1ccc2c(Cl)c(CC)sc2c1	307349707	GXXJGVTWHHHSOC-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CN[C@@H](C[C@H](C)C1CCCCC1)CC(C)(C)C	310525609	XUSDQMWKDYIMHF-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H](CC2(C)CCCC2)Nc2ccccc21	311219330	NOHAEOVAJMYJTH-UONOGXRCSA-N	243.394	4.945	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)CCC)CC=CCC1	316831154	LOTNJEYGSOBFMU-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CC[C@](CNC)([C@@H]2C=CCCCCC2)C1	317552572	MFGWVGPKUVXZOA-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC(CCC2CC2)(CNC2CC2)CC1	317798980	LNXPUZYIPKCXDW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@H]1CCC[C@H](C)C1	318303459	NCTHVZKXKXHGBQ-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2cc(F)ccc2C)CC1	328314077	BVTXYINMVPDXNG-JOCQHMNTSA-N	248.341	4.533	0	10	BJAE	
CCCCCCc1csc(C(C)(C)C)n1	379784030	QLLUMOFEDWSUMO-UHFFFAOYSA-N	225.401	4.563	0	10	BJAE	
CCc1ccccc1[C@@H](N)C[C@@H](C)CC(C)(C)C	381365286	OXFLVEJGHASCRR-CJNGLKHVSA-N	247.426	4.711	0	10	BJAE	
CCCCCC(=O)CCCCCC(C)C	383196820	XZDFJPSNTZPAJZ-UHFFFAOYSA-N	212.377	4.742	0	10	BJAE	
CCNC[C@@H](CCCCCC(C)C)CC(C)C	383252439	KNAOKSHDXWXAKV-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCNC[C@@H]1CCC[C@H]1CCCCCC(C)C	383262184	XVKOOHAORAEZSS-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C)CCC[C@H](C)C1CCCCC1	384003167	NDMGJWLVLWUEBQ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)c1ccc(C)cc1	385001848	VUUFVXCPFCBPNV-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCCN[C@H](C[C@@H](C)c1ccccc1)[C@H](C)CC	385021092	XKSJRPDVZWWYNO-BFYDXBDKSA-N	247.426	4.595	0	10	BJAE	
Cc1cc(F)cc(NC[C@@H](C)C2CCCCC2)c1	386170787	HFPRZXNGLHNZAV-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
CC1(C)CCC([C@@H](N)CC2(C)CCCC2)CC1	393861738	LYPICQMJJAAHEO-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H]2CC23CCCCC3)C1	394518988	GAHZSDOBSRLDEY-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1ccsc1[C@@H](C)N[C@@H](C)CC(C)(C)C	395151385	XBQFABDLQWPCMD-NWDGAFQWSA-N	239.428	4.532	0	10	BJAE	
Cc1cc2scc(C(F)(F)F)c2cc1C	396192086	DDTYRKKXMIKTMK-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@]23CCCC[C@H]2C3)c1	688938293	UDQKUCRYPCBYHQ-RDJZCZTQSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C1CCC2(CC1)CC2	695627944	XIDFHZJMAIWRGQ-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CCCC2(CC2)C1	696573760	PNZGNHOUKURPQD-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](C)[C@@H](N)c1ccccc1	696799056	IVOSOLMHPYYYQD-DZGCQCFKSA-N	233.399	4.539	0	10	BJAE	
Cc1ccccc1C(=O)[C@@]1(C)CC[C@H](C)C1(C)C	699088439	VDGWBCGLCAQNKV-SUMWQHHRSA-N	244.378	4.640	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](C(C)(CC)CC)C1	701154019	VBLGJBHNCLTICY-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@]2(C)C[C@@H]2C)cc1	704338288	VMDJVSGABZNOIS-MGBSGCIJSA-N	245.410	4.507	0	10	BJAE	
C[C@](N)(C[C@H]1CC2CCC1CC2)C1CCCCC1	704879250	FNACHWLDAFRZGS-BOXZVXIZSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1Oc1cccc2ccccc12	704921987	IYVGXCYQSABDNT-XJKSGUPXSA-N	240.346	4.797	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccc(Cl)cc1C	708394610	LAGOANPJUTZLPE-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H](C)CC(C)(C)C)CC(C)(C)C	709199780	NJUJOHLPBNGEON-HZSPNIEDSA-N	241.463	4.848	0	10	BJAE	
CCCC(=O)CCC[C@@H](C)CC(C)(C)C	709216096	YXFKGYQUONVJJV-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
N[C@H](C1=CCCCCCC1)C12CCC(CC1)CC2	710263021	MBUQBIWYNYFOQU-ARWYELJZSA-N	247.426	4.565	0	10	BJAE	
CCCc1ccccc1N[C@@H]1C[C@@H]2CCCC[C@H]21	712427773	ZUJSUFDRDZIRHY-ZMSDIMECSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)CC(C)(C)C(C)C	713210801	HXYKURTZSPYFLO-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	713306649	PKVUAXGLSMDAJS-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC(C)(C)CC	713318788	RAYAHITZERJQES-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
CC1CCC(N[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1	714303028	HUPDZISWWMVDCL-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@@H]21	714315121	LTDUAJYNNALWHC-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CCC([C@H](N)c2cc(C)co2)CC1	716146511	GDOIPHDCTPHQBV-XUJLQICISA-N	249.398	4.584	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CC(C)(C)CC[C@H]1C	717535741	VMXAXMONSXRMKD-QLFBSQMISA-N	239.447	4.760	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1NC1CCC=CCC1	718030810	WFRJKCOMJCLNSU-IRXDYDNUSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)c1cc(C)co1	718484780	AHDDNZRFZSKGEE-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCc1ccccc1CCC(C)=C(C)C	718751921	LOPFDSBYLNVUGC-UHFFFAOYSA-N	202.341	4.538	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CC)CC(C)(C)CC	723112687	HHAKEBNXACQWBF-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC1CC(C)(C)C1	723544512	MGCGPDIQRJRGHD-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCN(C)C1CCCCCCC1	1641685213	DKVYUFPZVRZKAL-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
C1CCC(CCN2CCC[C@H]2CC2CCCC2)C1	1654062057	CMHWPWDGXBLFDS-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H](C)CNc1cc(C2CC2)ccc1Cl	1900690642	IXNKHDINCMXHSO-SNVBAGLBSA-N	237.774	4.675	0	10	BJAE	
CC(F)(F)CCCCCC1=CCCC1	1901372210	QZRPAHUVLJJJLH-UHFFFAOYSA-N	202.288	4.702	0	10	BJAE	
Cc1sccc1-c1nc([C@H]2CC2(C)C)cs1	1901911968	LHOMQYGMUIEQOZ-SNVBAGLBSA-N	249.404	4.694	0	10	BJAE	
CC(C)CCCCCCC1(N)CCCCC1	1902149558	PRFDUEDHXSVAMV-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CC[C@H](CC(=O)CCC[C@@H]1C[C@@H]1C)C(C)(C)C	1908590734	ZMWPFVKTLJIDLH-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CC[C@@H]2C[C@H]2C)CC1	1910142983	KRIOVNAOPQLUTO-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CCC=Cc1ccccc1	1912034822	CLVDVLXUPBHRJP-INIZCTEOSA-N	245.410	4.634	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CC2(CCCC2)C1	1912593968	AFTCIAZXLVDKOP-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
Cc1cc(F)ccc1NC1CC2(CCCCC2)C1	1912710228	GPRAFBIHWWPZRD-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCCCCCC[C@@H]1N	1913403630	JZKDCKYOSTZOBS-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
CCCCCC[C@@](C)(CO)C1CCCCC1	1923906354	YGKBTEIZPVICES-HNNXBMFYSA-N	226.404	4.536	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)C[C@@H]1CC=CCC1	1925145655	OPUDIUQZNIRXQD-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@H]1C=CCCCC1	1925909701	HMOYOMUPOHPORM-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CCCC2(C)C)CCCCC1	1940409698	PJMICNZFNQFFCC-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)C(=O)CC[C@H]1CCCC1(F)F	1940732007	VNPMDDWQVUWKGJ-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C[C@@H](C)CCC	1940795145	FNGZGOHWRXVIKA-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](O)(CCCC1(C)CC1)[C@@H]1CC1(C)C	1940881130	LDCLMBNNPPECKT-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(=C(C)c2cccc(N)c2)CC1	1940981117	UBCBJXHYBYZVIA-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
O=C(CCCCCCC1CC1)c1ccccc1	1941580670	CGNDUCOIUUACLT-UHFFFAOYSA-N	230.351	4.620	0	10	BJAE	
C[C@H](CC(=O)CC1CCC(F)CC1)C(C)(C)C	1944537772	XFGZHICIRFGTFN-PNESKVBLSA-N	242.378	4.546	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1CCC[C@H]1C)C(C)(C)C	1944843009	OSHVYFZTQVJIQS-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(Nc2ccccc2C(C)(C)C)C1	1946976278	FAGRFEFMWKKBHV-UHFFFAOYSA-N	231.383	4.585	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCC[C@@H]1C(C)C	1947526943	TYPXRWSRFJBTQC-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
C1=C[C@H](Cc2ccc3ccccc3c2)CCC1	1947553033	UOWPIYVICMPASR-AWEZNQCLSA-N	222.331	4.739	0	10	BJAE	
c1ccc(NC2CCCCCCCCC2)cc1	1947879292	BLNUCPUANLYHII-UHFFFAOYSA-N	231.383	4.992	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@H](C)CC(C)C	1948971617	ZWZGVNITXAJESQ-LZWOXQAQSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCC1=CCCCC1	1949044309	VMFMIVIZJCNINP-HOCLYGCPSA-N	237.431	4.811	0	10	BJAE	
Cc1cccc(-c2ccc(N)c(C)c2C)c1Cl	1949228941	OZFUEFDALYUTGY-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C2CCCCCCC2)C1	1949496524	MRZKHHDPHXJAEV-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1ccc(Cl)c(Cl)c1	1959209037	MXUMODRVGHJJEO-PELKAZGASA-N	244.165	4.594	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2cccc(C3(C)CC3)c2)C1	1967832344	MJJJEGPFFXVMJE-HIFRSBDPSA-N	243.394	4.729	0	10	BJAE	
CC1CC(C)(COc2ccc(C(C)C)cc2)C1	1968401943	STJYHLPESZCKTR-UHFFFAOYSA-N	232.367	4.625	0	10	BJAE	
C[C@H](CC1CCCCC1)NCC12CCC(CC1)C2	1970848534	XANWNNQVQTVOTK-ODIFPOPNSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NC1CC(C)(CC)C1)C1CCCCC1	1973591970	XGHINQBGUVFJJA-PCKAHOCUSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)CC(=O)C1(C)CCCCCCC1	1981427741	MSJAWEBAZQCKBP-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
C/C=C/CCC[C@@H](N)C[C@@H](CC)C(C)(C)C	1984650019	STCNGONGLRDZCF-RTIZMKJZSA-N	225.420	4.523	0	10	BJAE	
CCCCCCc1nc(C2CCCC2)cs1	1995497418	AEYWQRKUUDTJNE-UHFFFAOYSA-N	237.412	4.924	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CC[C@@H](C)C2)CC1	1996272658	WHKOTCQBKJVMOG-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H](C)CNc1ccccc1SC1CC1	1996549499	PVIYNTSMWCMOLL-LBPRGKRZSA-N	249.423	4.645	0	10	BJAE	
CCCN[C@H]([C@H]1CCCC(C)(C)C1)C(C)(C)C	2000050133	DHSBWQJWOCYBII-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CC(=O)C[C@@H](C)c1ccccc1	2000190595	PXOHYRBBEPWUMP-ZIAGYGMSSA-N	232.367	4.576	0	10	BJAE	
CCCC1([C@@H](NCC)[C@H](C)CC(C)C)CCC1	2000376550	NWYWNNRJUARLJO-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@H]1CCC[C@@H](C)C1	2000504035	DEHCTFLPOGBJNT-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002222924	RRQILVAXQZSDDC-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCNC1CCCCCCCC1	2003098648	HIGNSRGBRZRHTQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
O=C1CCCCCC[C@@H]1CCC1=CCCCC1	2003111489	LTQQWXWGVKHVRG-OAHLLOKOSA-N	234.383	4.807	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H]1CCCCCCC[C@H]1O	2003112329	SYLAVQDBSHLBBQ-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2004191605	QGBGEOBIFUEQJN-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CCCC(CCC)CNc1ccc(C)cc1C	2004706755	QDSSKWGHLOOQAT-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CCC(C)(C)CC)[C@H]1C	2006981732	QZXSWSHNYVGDGP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C)(C(=O)[C@H]2CCC[C@H](C)C2)CC1	2007683867	WEJODJPXWGQEHR-WJEHIRDRSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H](CCC1CCCCC1)NC	2009619986	QEBJHCCMOHCDNE-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@@H]1CCC(C)(C)CC[C@H]1NC	2009630799	XXQGAWVEQAROAK-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCCNC1CCC2(CCCCCC2)CC1	2013211870	QCVPSMQSILDNEG-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC1(C)CC(C)(C)C1	2013265275	VLGSPJKWSPFONF-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CC12CCC(CC1)C2	2013274234	NRRAVVHFARZGFS-UYSNPLJNSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc(-c2cscc2[C@H](C)N)c1	2013598039	KZKPFKZYMMDJPF-NSHDSACASA-N	245.391	4.558	0	10	BJAE	
C[C@@H](NCC1(C)CCCCC1)C1(C)CCCC1	2014340311	QDDNHLLAJLHEMP-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCNC1CC(CC(C)(C)C)C1	2014658048	PSOLFIHRTNSMDN-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)c1ccc2sccc2c1	2015277941	KQJXWZLFXKXCGJ-BXUZGUMPSA-N	247.407	4.583	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)[C@@H](CC)C(C)C	2015279578	YCPYDLKLRFVIPJ-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O	2015386120	KGDNQFSOFMNPNP-MGPQQGTHSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)C(C)C)CC1CCCC1	2015411471	GCAWUOAHBILJTI-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1(CC(C)C)CC1	2015755265	PLJLWIGCTKJBOM-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C[C@@H](C(C)C)[C@@H](C)O)CC1	2017717046	OAVCJJKDAIFCEH-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(N)C2(C)CCC2)CC1	2017728030	GXMVRTJTTZWLKX-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C)C[C@@H](C)CC1CCC(CC)CC1	2017734383	BPQHWBCSUSWRJH-QVOMUQBLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2CC[C@H](C)CC2)C1	2017773972	IISZFJLKCHTNBG-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)c1ccc(C)o1	2018139117	OHXNCLVMONYVIK-UONOGXRCSA-N	237.387	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2nc(C3(C)CC3)cs2)CC1	2018309323	FUPLXQZTVJYQCJ-VXGBXAGGSA-N	249.423	4.878	0	10	BJAE	
CCCC1(CC(=O)C2C[C@H](C)C[C@@H](C)C2)CC1	2018921315	MWAQSQPCVMLBGK-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CC2(CC)CC2)CC1	2018966613	CMXUGXYMYMHLAX-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CCCC1(CC)CC	2019200393	OMPWFKAQWWVPBI-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
CC(C)C[C@H](C)N(C)[C@@H]1C[C@H](C)CC(C)(C)C1	2019299665	LLGNRKHWQSMSBI-SOUVJXGZSA-N	239.447	4.568	0	10	BJAE	
CC(C)CCCCCN1CCC[C@@H]1CC(C)C	2019345061	WUHKARFJBAOENY-MRXNPFEDSA-N	239.447	4.713	0	10	BJAE	
CCN(CC1CCCCC1)C1CCCCCC1	2020505380	BNLRHRXNZZBOKZ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC[C@@H]1C[C@@H]1Cn1ccc2ccc(Cl)cc21	2022548704	ADYVWTYCBGREGG-CHWSQXEVSA-N	247.769	4.731	0	10	BJAE	
CCCC(=O)CC[C@H]1C[C@H]1C1CCCCCC1	2022555428	XPKAEAMHIXXNPI-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2CCCC(C)(C)C2)CC1=O	2024091437	IOAMDZQFQPCNRJ-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@]1(C)CC1(F)F	2026075049	RMJIMHIKSKPJEZ-DGCLKSJQSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CC1(C)CCC1)NC	2026163331	JXQGDQJMGSOWEW-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H]1CCC[C@H](C)C1	2027030369	LHPPPPOMJRZJSR-BBWFWOEESA-N	249.442	4.703	0	10	BJAE	
CC(C)(C)CCC(=O)c1cccc(C2(C)CC2)c1	2028553327	YGEKBWFBNLIVST-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)c1cccc(C2CC2)c1	2028558065	SVSZKUFKAZJDQO-BLLLJJGKSA-N	245.410	4.636	0	10	BJAE	
Cc1oc(C)c([C@@H](N)CCCCCC2CC2)c1C	2028633270	HGUIGGNAELDMBN-HNNXBMFYSA-N	249.398	4.565	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C1(C)CC(C)C1	2029106367	UEGPEADVAZLQHC-WIHSUSGWSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(CCC(=O)[C@H](C)CCC(C)C)cc1	2029839044	WRHLNSMBBDMDIM-OAHLLOKOSA-N	246.394	4.569	0	10	BJAE	
Cc1ccc(C(=O)C(C)(C)C2CCCC2)cc1C	2032297509	TUQJTPNLCYJBOV-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC(C)C1(CNC2(C3CCCC3)CCC2)CCC1	2033055741	SXNJINHMWXDREZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C12CCC(CC1)C2(C)C	2033440709	AWVGQTTVFCQIBU-YFTKNLTDSA-N	248.410	4.598	0	10	BJAE	
CC(C)NCC1(C[C@H]2C=CCCC2)CCCCC1	2035601648	PRAGGJZAWGIRHK-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCC1)C1CC(C)(CC)C1	2036487482	SJVUKJIXHRZDJF-SOEBMCCKSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@]1(N)C1=CCCCCCC1	2037073745	NFNKCWAKGUMQAP-UAGQMJEPSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)CCC1=CCCCC1	2037171259	DPBKHJPFRQEZKL-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC(C2CC2)C2CC2)CC1	2037189488	RHWQITFJUQXHGF-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@H]1C=CCCCC1	2037271336	ARYRMMYEFYOTQN-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@H]([C@@H]2CCC(C)(C)C2)Nc2ccccc21	2037694719	OJHUQPVMQODXNB-XJKCOSOUSA-N	243.394	4.801	0	10	BJAE	
C[C@H]1CC[C@H](C)c2[nH]c([C@H]3CCC[C@@H](C)C3)nc21	2038007763	RQVKIHCBOUFKDT-VOAKCMCISA-N	246.398	4.704	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CCC3(CC3)C2)c1	2038574682	GZYVKKASQWIEGB-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CC(C)CC[C@@]1(CNC2CC2)CC12CCCCC2	2039006637	RPOLGNSEAIIIFN-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CCCC(C)(C)CC2)o1	2039356333	IROQAZVWGJOPRD-LBPRGKRZSA-N	248.366	4.631	0	10	BJAE	
CC1CCC([C@@H](C)N[C@H]2CCC23CCCC3)CC1	2040639247	SJQAWJSRAHRDDF-KNIAUWFNSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@H](N)[C@]1(C)CC=CCC1)C1CCCCC1	2042018009	AKKWMRZALPNTPD-HYVNUMGLSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042344409	GKSABLVQXPLOGH-YYIAUSFCSA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@@H]1C=CCCC1	2043186861	HQFSDNWULNLTPP-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H]1CCCC2(CC2)C1	2043190423	JECRWRCGXMFGFM-HOCLYGCPSA-N	247.426	4.578	0	10	BJAE	
C[C@]1([C@@H](O)C[C@@H]2CCC=CCCC2)CC=CCC1	2045335788	WDIILOYFRSEKTF-IKGGRYGDSA-N	248.410	4.620	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2CCC3(CC2)CC3)C1	2045458382	STXBEAFXWJNNOM-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CCCC3(CCCCC3)C2)C1	2045523176	VTIFYADAZBNJGS-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
Cc1cccc(C(=O)C2(C)CCCCCC2)c1C	2045610215	RWXGAFXMYGQGEV-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
Fc1ccc(NC2CC3(CCCCCC3)C2)cc1	2046226386	IDGJPVGDPVMZQO-UHFFFAOYSA-N	247.357	4.741	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@H]1CC12CCCC2	2047003009	BGMFKPDFJHGRSO-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@H]2CC23CCCCC3)C1	2047065656	OZFYPDXRFQVLGI-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
NCC1(C[C@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2048490734	WHOFYDPNYHEVRL-MUJYYYPQSA-N	249.442	4.502	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1CCC2(CCCN2)CC1	2048950972	RRYHECCLMDTZRU-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC2[C@H]3CCCCC[C@H]23)CC1	2049636749	OHDXJOHTMHOVMY-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC=Cc1ccccc1	2049702655	ZFIUYPHEMPVAEL-MRXNPFEDSA-N	242.362	4.629	0	10	BJAE	
CN[C@@H](CC[C@H](C)C(C)(C)C)c1cccc(C)c1	2050455916	LBLMQRABOSZQNI-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1C[C@@H]2CCCC[C@@H]21	2051397682	AQBPDKBJVKSAIM-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CNC[C@@]1(C2CCCCC2)CCCCC12CCC2	2053362363	ZNZYWFLASLHBKJ-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@H](N)C=C2CCCCC2)C1(C)C	2056880579	CPDPSGAROLTOSV-FRFSOERESA-N	249.442	4.667	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1ccccc1CC(C)C	2059223458	NERUMBKUBJUISJ-LAQIPUCWSA-N	246.394	4.665	0	10	BJAE	
CCc1ccc(C(F)F)c(Cl)c1SC	2060053719	GSSYRWBKAYGFNT-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](CC)CC1)C1CC(C)(C)C1	2061083387	BUAGODOUAYKVRU-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
C=C=CCCCC[C@H](NCCC)c1ccccc1	2061562266	BCIUQVNEQVMFKL-KRWDZBQOSA-N	243.394	4.629	0	10	BJAE	
CC1(C[C@H](O)C2CC(=C3CCC3)C2)CCCCC1	2061639497	IFJFPHMJYDLANA-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1C[C@@H]2CCC[C@H]2C1	2063512729	ZPTJOWQSPBOQIN-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C12CCCC1CCC2	2063811872	DMWBCRIJCZTBDI-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
C/C=C/CN(C)C1CCC2(CCCCCC2)CC1	2065938173	CUEXJYJUKFNXFQ-ONEGZZNKSA-N	249.442	4.778	0	10	BJAE	
CC[C@@](O)(CCC(C)C)c1cccc(C2CC2)c1	2065995036	JLVXBPYENYEBKM-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
Cc1ccccc1[C@](C)(O)CC(C(C)C)C(C)C	2068846136	XHBYUZPMKTUNCH-QGZVFWFLSA-N	248.410	4.521	0	10	BJAE	
Cc1cc([C@@H](N)CC2CCC(C)(C)CC2)oc1C	2068909464	JHUKXLOLQKRQJF-AWEZNQCLSA-N	249.398	4.503	0	10	BJAE	
CCCC1(CC2(N)CC3(CC(C)(C)C3)C2)CCC1	2069343119	WIDFJQOHGJBGHY-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCC1(CC(=O)C2(CC3CC3)CCC2)CCC1	2069500130	GBMSJHWFTDEWFL-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)C1CC2(CCC2)C1	2070408506	PHQRSGOVFYEOFU-CABCVRRESA-N	249.442	4.680	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC(C)(C)C1=CCCC1	2070414349	SAEYNUVTCQKCEY-HNNXBMFYSA-N	249.442	4.847	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H](C)c2ccoc2)CC1	2072683094	ZTQROJLILPHQSN-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CCCC23CC3)CC1	2072870390	BJLRUBMLFGQWGN-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H](C)c1ccccc1	2073349073	YDQWQJGMDSXDGN-DOTOQJQBSA-N	248.410	4.902	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1	2077263768	CYNHIHTTWSQGDX-UKPHBRMFSA-N	241.378	4.555	0	10	BJAE	
CN([C@H]1CCCC1(C)C)[C@H]1CCC12CCCCC2	2077362580	OHJOMAMZBJVROK-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CC1(C)C[C@@](C)(C=CC2(C(C)(C)C)CCC2)CN1	2078846638	BAYFIYYRRFLSSZ-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1C[C@@H]1C1CCCC1	2079451329	PWXKDLOWABBJPR-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(CN)CCCCC12CCC2	2079663673	BLLSVSWMSRUOFJ-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC[C@](N)(C[C@@H]2C[C@@H]2C2CCCCC2)C1	2079832998	QENFYKRRZLNMJN-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H]1CCC[C@H]1C(C)C	2080252908	RONXMIKJTSXBQI-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)c1cc(C)cc(C)c1C	2082949930	CXAFKDKMFZXCHD-GJZGRUSLSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CC(C[C@H]2CCC=C[C@@H]2N)CC(C)(C)C1	2082986680	NHUDNHVHMYIYMP-CABCVRRESA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1C[C@@H]2CC[C@H](C1)N2[C@H]1C=CCCCCC1	2084511375	PFZWPOUQENBQFP-NXOAAHMSSA-N	247.426	4.528	0	10	BJAE	
CC(C)[C@@H](N)CCCCCCCCC1CC1	2212441764	DEIVDNJXXJNMBG-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H]1CC[C@@H]1CCCCCCC1CC1	2213576713	TYGINHNFLOWTAO-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)CCCCCCC1CC1	2213577503	CHWWBZFLUQCHDV-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
FC1(F)CCC[C@H]1CC/C=C/c1ccccc1	2213823389	RSXAGVMDGVXWOA-CEOUIICOSA-N	236.305	4.915	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CCCCC2CC2)C1	2214561761	ANLKUHBCAVTNPX-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H]1C)CC(C)(C)CC	2214956728	UXXDIYHRPYSOSP-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H]1CC[C@H]1C	2215102536	TXMGZHDVWWRQIQ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC[C@H]1C[C@@H]1CC	2215242629	AGLADPDPWASSIA-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1C[C@@H]1CC[C@@H](N)C1CCCCCCC1	2215331192	KCPGFENALGTCEQ-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@@]1(C)CC=C(C)CC1	2215819850	ZIFQEVATSIMMLF-BMFZPTHFSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CCCCC(F)F	2216505636	QGVQCDUQXVYFCG-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
c1cc(NC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cs1	2216746439	DVCVTAPTWTWQEX-RDBSUJKOSA-N	249.423	4.767	0	10	BJAE	
CC[C@H](C)NC[C@]1(CCC(C)(C)CC)C[C@@H]1C	2217132337	XFYKTMYWVQZXNT-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@]1(C(C)C)CCC[C@@H](C)CC1	2217143497	WYMQNQLJEVNULG-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218308409	FCKXSDSAPAMGFR-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218331005	INMVGERDTJYXQF-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@H](N)C2C[C@H]3CCC[C@H](C2)C3)CCCC1	2218346682	QROKKJNORZGYAY-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC2(CCCNC2)C1)CCC1CC1	2218729280	YPOWZIZLZCZGDD-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CO[C@H](C)c1ccc(C[C@H]2C=CCCCC2)cc1	2219440088	HCVAHGKOMFZLGE-CABCVRRESA-N	244.378	4.683	0	10	BJAE	
N[C@H](C[C@H]1CCC2(CCCC2)C1)C1CCCCC1	2220291263	GTAUYUJSOGEZEG-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)c1ccccc1C1CCC1	2220717680	WZTVJFUXGBKSOC-TZMCWYRMSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C1(C)CC2(CCC2)C1	2221006110	JXEFCQACYRMZRK-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](O)CC2=CCCCC2)CC2(CCC2)C1	2221128902	HKVKPHORMROMAA-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@]1(C)CC=C(C)CC1	2221642123	BRXZGCPDFFIXDY-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CC[C@H]2C[C@H]2C1	2223154316	ITZVOEUATWHEHS-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@@H](C)[C@]1(CNC2CCC2)CC=CCC1	2223542059	NVRBXHQCUNFIHC-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CCC2)CC12CCCCC2	2223554202	DLSUMGJUKIMWOF-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CCCCC2)CC12CCC2	2223593744	JHWFRLZWXZSCBT-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)c1ccc2occc2c1	2224168888	XKLSEKFSTZTHCV-MLGOLLRUSA-N	245.366	4.520	0	10	BJAE	
CC(C)CC[C@H](O)CC[C@@H]1CCCCC12CC2	2246626236	IYAPXQUNTYBEMS-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C(=O)CC[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2246662804	IDKMZFOXCFNUKU-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CCCC(O)(CCC)CC[C@@H]1CCC[C@H](C)C1	2246695162	SSSNLXDFBZHOHF-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cc2ccccc2s1	2246857645	QDSHPERLOXWULC-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC1(C)C)C(C)(C)CC	2247412495	AMWZELAMQFKXFY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C1=C(Cc2ccc(C3CCC3)cc2)CCCC1	2247512647	KOTKQCPCTBKPST-UHFFFAOYSA-N	226.363	4.997	0	10	BJAE	
CCc1cccc(F)c1NCCCC(C)(C)C	2248093498	YXBMHKGBYFBPEI-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
CCC(C)(C)[C@H](CCCCC[C@H]1C[C@@H]1C)NC	2248805714	CMHMHIAKSLSXCS-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](C)(O)CC1CCC1	2248868831	DOTLWMNFKXHZFX-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(O)cc(-c2cc(C)c(Cl)cc2C)c1	2249082190	BAIVRZYCEQWZLY-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CCCN[C@@H]([C@@H](CC)CCC)[C@H](C)CC(C)C	2250354999	ITGJLYNIBMNZBY-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)c1ccco1	2250495830	MCVYFEOFWKRPRQ-KBPBESRZSA-N	238.371	4.556	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](CC=C2CCC2)C1=O	2251725364	VQEKYSGISYZZBC-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@@H]2C[C@H]2C)cc1C	2254589346	VGHGMFKYSDSSRK-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCCC[C@H]1C[C@@H]1C	2254604124	GUSBZIOQPBHMPS-SMLCLMEVSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CCCC12CCCC2	2254605928	DOXCBRKSLNJLOU-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCNCc1cc(C=C(C)C)cc(C(C)C)c1	2254714458	JIIPXEZJHDUQBJ-UHFFFAOYSA-N	245.410	4.733	0	10	BJAE	
CCCCCCOc1cc(C=O)cc(C(C)C)c1	2254720775	ZBPSPLDDWLCTTB-UHFFFAOYSA-N	248.366	4.582	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H]2C[C@@H]2CCC)cc1	2256236849	IQDLHBLBHNJWLJ-JKSUJKDBSA-N	244.378	4.648	0	10	BJAE	
CCCc1ccc(C(=O)CCC(C)=C(C)C)cc1	2256241828	MTAHMGWUSWWKQK-UHFFFAOYSA-N	244.378	4.958	0	10	BJAE	
Cc1cc(N[C@H]2CC(C)(C)C2(C)C)cc(C)c1C	2258233334	MGSAQAVAZFNOKD-HNNXBMFYSA-N	245.410	4.848	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1cc(C2CC2)ccc1F	2259106690	BHSVLSLEZBCFOW-TZMCWYRMSA-N	247.357	4.551	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)c1ccc(C(C)C)cc1	2259441280	JUYLURMLLKBJOA-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC(C)(C)c1ccccc1	2259475308	ZQXSQRFUKCBGPL-HOCLYGCPSA-N	247.426	4.508	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1CC2(CC(C)C2)C1	2259513813	FEVRFCYYQQWPQB-ONNPGMOUSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@]12CCCC[C@@H]1CC2	2260535171	CPDMJVLFTGLBSQ-INMHGKMJSA-N	246.394	4.662	0	10	BJAE	
C[C@H](C(=O)C[C@]12CCC[C@H]1CC2)C1CCCCC1	2260658006	MENKTHYJMOLTBU-JLJPHGGASA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@](C)(O)c1cccc(C2CCCC2)c1	2260731192	OJTLZYCGRYBKFL-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CC(C)(C)CC1CC(C[C@H](N)[C@@]2(C)C=CCC2)C1	2261126227	LLKMXELKHNKEIS-NDTCATRNSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)CCCC(C)C)CCC1	2298841026	XWVWLIVPIWFCCE-GDBMZVCRSA-N	237.431	4.680	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H](N)C1(C)CCCCCC1	2298920326	LLKNBDIQUFGYDL-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@]1(C)CC=C(C)CC1	2300681999	UYCYZHGMLBQGIQ-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCC[C@](C)(CN)CC=C(C)CCCC(C)C	2300869219	GOPPYEIUTMRWNY-INIZCTEOSA-N	239.447	4.914	0	10	BJAE	
CCC(C)=CCN1CCCCC12CCCCC2	2300884036	NHUHNZDGHLMRHH-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](N)C1(C)CCCCCC1	2301863316	CCFPYUYSMSKGIM-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CC=CCCC[C@H](CCCCC1CC1)NCC	2302570617	BBPMPAKGPDSBMX-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)C(C)(C)C(C)(C)C)C1	2302674372	ACHGVCOAKYFHAZ-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C[C@@H]1CCC(C)(C)C1)c1cccc(N)c1	2302900792	VUYNAUFDSBMCOZ-STQMWFEESA-N	231.383	4.589	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@H]1CC[C@H]1C(C)(C)C	2303431788	NCMBWNCLIOXYIU-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCCCC12CC2	2307760006	CTFAALUPAFYGQP-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCc2ccccc2N1	2307801172	KARDXHQAYJBRKA-ZFWWWQNUSA-N	231.383	4.630	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1CC2(CCCC2)C1	2307894874	SPMUKNGJFKVVSE-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CC[C@@H]1C(C)(C)C	2307896026	XWALFUXPHBHXBW-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2310379965	LFYHSJOWQVHYPR-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CCC[C@@]1(C[C@@H]2C[C@H]2C2CCC2)CCCCCN1	2311474044	ORRKYPRWLJCVSU-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCCC1(NC(CC2CC2)CC2CC2)CCCC1	2313585323	WJTWNMRSBRDYEX-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](CC=C(C)C)C(CC1CC1)CC1CC1	2313589898	HRWUGKLFQGTEEF-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CCc1cc([C@H](N)C(C)(C)C(C)(C)C)ccc1C	2314702585	OLIISQDMAVSHGF-HNNXBMFYSA-N	247.426	4.630	0	10	BJAE	
CC(C)CCC[C@](C)(O)C/C=C/c1ccccc1	2315940303	COZHXCQUVDMUON-UEICXMAYSA-N	246.394	4.667	0	10	BJAE	
CC(=CC=C1C[C@@H](CN)C1(C)C)CCCC(C)C	2316558334	XLBLTAYDZPORDL-INIZCTEOSA-N	249.442	4.690	0	10	BJAE	
C1CCCC(CC2CCC3(CCCN3)CC2)CC1	2316935326	PNZBQUQTDICGLV-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1C[C@@H]2CC[C@H]1C2	2317929698	NPCHAENNWOUVKP-TYNCELHUSA-N	247.357	4.550	0	10	BJAE	
CN[C@@H]1CCC[C@@H](CCCC2=CCCCC2)[C@@H]1C	2318583302	NMFCNKJYZFTESG-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCC[C@@H]2C[C@@H]21)C1CCCCC1	2319236291	AUSZTOUVLSEUTP-PQEBFOHHSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H]1C[C@@H]1C)C[C@@H]1CCC(C)=C(C)C1	2320410481	FAKRSHVIUSNJAU-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C=C2CCN[C@@H](C)[C@H]2C)CC1	2321303234	APXVJLBWKJXYKE-QVOMUQBLSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC[C@H]1CCC(C)(C)C1)C1(C)CC=CC1	2321605919	QGYJWQSTQUALQN-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)CC2(F)CCC2)c1	2327783612	FHNBERJJRJRCNO-UHFFFAOYSA-N	248.341	4.583	0	10	BJAE	
CCC[C@@H](CC)CN1C[C@H](C)Cc2ccccc21	2328100041	AYGHXQLDZRKWNC-HUUCEWRRSA-N	245.410	4.512	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1ccc(C(C)(C)C)cc1	20554328	ALISYGXQUFNRFS-CJNGLKHVSA-N	245.410	4.975	0	10	BJAE	
Cc1ccc(-c2ccc(C(=O)C(C)C)cc2)cc1	33466489	YVYQULROQKTPGJ-UHFFFAOYSA-N	238.330	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1	36858613	VADCFTVTIYEFOT-DJIMGWMZSA-N	245.410	4.868	0	10	BJAE	
C[C@H](Nc1ccc2sccc2c1)C1(C)CC1	36976068	QHUCPIIHYJNKNV-JTQLQIEISA-N	231.364	4.502	0	10	BJAE	
CCCCCCOC(=O)c1ccc(C(C)C)cc1	62171154	WTJJETASEWJGDZ-UHFFFAOYSA-N	248.366	4.547	0	10	BJAE	
CCCNCC(CC)(CC)C[C@H](C)CCC	71128025	DLBZQCKUGXTPOO-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](C2CCCCC2)C1	80415744	JPKAEJKWSZCQOV-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccc3sccc3c2)C1	80433061	QRZDVWMLKXUSQN-DGCLKSJQSA-N	245.391	4.892	0	10	BJAE	
CCC(CC)CNc1ccc(C(C)C)c(C)c1	83360405	UPEHPIAUYGBKCE-UHFFFAOYSA-N	233.399	4.967	0	10	BJAE	
CCc1cccc(C)c1NC1C[C@@H](C)C[C@H](C)C1	84468601	UOOUNOXDURZRJY-STQMWFEESA-N	245.410	4.794	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](C)c1ccc(C)cc1C	88294401	KCWNXEQIYJVGHP-MAZHCROVSA-N	247.426	4.779	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC1CCCCCCC1	94273792	RXVKXUUPUYYQLH-HNNXBMFYSA-N	237.431	4.658	0	10	BJAE	
CCC1(CNC(C)C)CCC(C(C)(C)C)CC1	110449542	DFIPDDJLCGGQCF-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)(C)C)C1=CCCCC1	111649409	QVUCKMWWUXFENY-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCc1ccc(-c2cc3ccccc3o2)cc1	117905089	AKPYMEJSYZGGAO-UHFFFAOYSA-N	222.287	4.662	0	10	BJAE	
CCCCC[C@@H](C[C@@H](C)CC(C)(C)C)NC	125422387	FVQOXLBLMLIZMQ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](c1csc(C)c1)[C@@H](C)CCC	129481613	SCJBUYRHZGKVMC-FZMZJTMJSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H](Cl)c1ccccc1Br	143293374	JZOSYEGRVHPYQJ-SNVBAGLBSA-N	247.563	4.529	0	10	BJAE	
CCC[C@@H](C)C[C@H](CNC(C)(C)C)C(C)(C)C	162404655	XMSAYLLNLMAQBY-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CCCC(C)C)C1	165473617	PSTOZUKXDLBSBL-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@H]2CC[C@@H](C)C2)c1	165548889	ROTSUMCLVLUNPJ-CJNGLKHVSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@H](C)CC(C)(C)C	168153719	PADGKUNIXYWCPH-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(O)c([C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1	169483089	ZRCLPBCDJUWMRD-HACGYAERSA-N	244.378	4.630	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1c(C)cccc1F	224941441	IFSGQAWXYBUQQO-TZMCWYRMSA-N	235.346	4.515	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](Nc2cccc(F)c2)C1	230765464	JTSOUKYTOCDLGI-ZFWWWQNUSA-N	249.373	4.843	0	10	BJAE	
Cc1sc(C2CCC(C)(C)CC2)cc1C=O	257612116	WDGKECHHUKKJAV-UHFFFAOYSA-N	236.380	4.553	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)c1ccc(C)s1	300969407	RRAXOEPHZBMWRX-BXUZGUMPSA-N	239.428	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(O)CCCC(C)(C)C2)C1	310102402	BWGMQXQFAVKYQV-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@H]1CCCCCC1=O)C1CCCCC1	310158015	KXTJNKMQDYVPBQ-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@@H](C2CCCCC2)Nc2ccccc21	310214101	VORZUOYFKMNOMC-WBMJQRKESA-N	229.367	4.555	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1cccc(C)c1F	310284767	ZUGGECQQLJKNPS-OLZOCXBDSA-N	235.346	4.515	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)C2(C)CCCC2)CC1	310300321	BJWWTURAGKUVRF-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](NCC1(C)CCCC1)c1cccc(C)c1	310726100	ZUXBHYXAOAXKFK-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCC[C@H]1CNCC[C@@]12CCCCC21CCCC1	311096589	JIJWCGAUOPTOKO-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCCNC[C@@]1(CC(C)C)CCC[C@H](CC)C1	319137248	FLYLYXPSAZHFAZ-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](c1ccccc1C(C)C)C1(C)CC1	381162789	HHASQVSHRZJDCG-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCC1(CNc2ccc(C(C)(C)C)cc2)CCC1	381399133	WEKMUGHOSAQDFF-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@@H](C)CC(C)C	383641221	ZTLVJZZRDMODAW-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@H](C)c1ccccc1	384521389	BBYDIZYGFDTTKE-CQSZACIVSA-N	249.357	4.753	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CN)CCC1CCCCC1	384801149	YAIVNSBFJJZGAW-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@H]1CC[C@H](C)C1	385216008	QXVHQBQMVIRXDW-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)CC1CCC1	385262112	YPFDPZSGJJJCDY-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
Cc1cscc1N[C@H]1CCCC12CCCC2	387117803	NWGDRLCQOQRBMS-ZDUSSCGKSA-N	235.396	4.581	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H]1CCCC(C)(C)CC1	388924638	SHSKDCMWAUBPTD-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)c1ccc(C)cc1	391160124	MRCQKFWUZGDKAW-OAHLLOKOSA-N	247.426	4.862	0	10	BJAE	
CCc1cccc(NCC2(C)CCCCC2)c1	394673551	SAXLCDYIZNMKCL-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CC/C(=C\[C@@H]1CCCC[C@@H]1C)CNC(C)(C)C	394773128	BAKIYZMSEDXGAN-LTJDPMBBSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](O)CCC1CCCCC1	395023108	NUTVMRJLMHNGNX-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCC1CCCCCC1	395064904	AXWWOZMFGYQHMQ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC1([C@@H](N)CCC2=CCCCC2)CCCC1	395092383	RKBISCBHWWSWEX-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCC[C@@H](C)CC1)c1ccccc1	395234132	CZDUDDLAHJGLOF-HLLBOEOZSA-N	246.394	4.512	0	10	BJAE	
CCC[C@](O)([C@@H]1CC[C@@H](C)[C@@H](C)C1)C(C)(C)C	395312576	BPMDECIOOQSWLU-CTASWTNQSA-N	240.431	4.636	0	10	BJAE	
CSc1cc(C)c2cc(C(F)F)sc2c1	396412389	VREBKYGCHYZUND-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CCC1CCC1)NC	398940318	VVMAPKMORNZQLJ-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCCC1CC1)NCCC	405771385	ZYVXOTYTTRPNPR-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C1(CNc2ccc(C(C)(C)C)cc2)CC1	687538648	PHTUZNDZMJSVCD-UHFFFAOYSA-N	245.410	4.832	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C[C@H](C)C(C)(C)C	688370333	UNJJEAWJTJRYQY-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC[C@@H]2C)c(F)c1	691084356	XAQNNMOAUPEAJA-GXTWGEPZSA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1c(C)cccc1F	691137092	JINFSRVSURICCC-ZFWWWQNUSA-N	249.373	4.905	0	10	BJAE	
CC(C)NC[C@]1(CC2CC=CC2)CCC[C@H](C)C1	692163711	GSGJGHRVHDQZBK-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC(C)C)[C@H]1CCC[C@@H](CC)CC1	695071098	SJTCICBKIMIJAN-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](O)[C@@H]1CCC[C@@H](C(C)(C)C)CC1	695129688	WNQPEWBQNWFBBW-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCC[C@@H](CO)C1CCCCC1	696828213	GTGDASRBEXPVGR-INIZCTEOSA-N	240.431	4.782	0	10	BJAE	
CCc1ccc(CC)c([C@H](O)CC(C)(C)CC)c1	697293105	VYVFKQCIGKYOQB-MRXNPFEDSA-N	248.410	4.671	0	10	BJAE	
CCN[C@H]([C@H]1CC[C@H](CC)CC1)C(C)(C)CC	701141418	YKLNDCLMGPMLRN-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H](C)CC(C)(C)C	708252621	AOJYMBHHGGZTCN-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC(C)NC[C@@H](C[C@@H](C)C(C)(C)C)C(C)(C)C	711174568	PELZPFNOSKDVIL-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1CCC2(CC1)CC2	711321114	MJINPLKJFKFVRQ-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C[C@@H]2CCCC[C@@H]21	712446632	WMQOTSLBUJCZJP-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CC(C)(C)C(C)C)C1	713150226	PLDRGVWKTWSRRZ-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C/CCOc1cc(C(C)C)ccc1C	713739328	PSBREUXLFYHRNQ-VOTSOKGWSA-N	230.351	4.630	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@]2(C)C[C@H]2C)cc1	714709986	NYKPKYINGIFFDZ-WOSRLPQWSA-N	231.383	4.658	0	10	BJAE	
C[C@H](N[C@H]1CC(C)(C)CC[C@H]1C)c1ccccc1	717540934	PCUYZKGRVFRORE-YCPHGPKFSA-N	245.410	4.552	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](NC2CCC=CCC2)CC1	718053533	QHKJKWGEKHDTFW-RDJZCZTQSA-N	249.442	4.680	0	10	BJAE	
CCNCC1(CC2CCCCC2)CCC=CCC1	718069804	ZNTXUVPHKMQYDD-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H](CC1CCCCC1)Nc1cccc(F)c1	720943265	IQSKKOHYGZHGTH-HNNXBMFYSA-N	249.373	4.987	0	10	BJAE	
CCCCCCN1CC[C@@H](C)c2ccccc21	1167911206	CXSCYBSWKQBTOR-CQSZACIVSA-N	231.383	4.581	0	10	BJAE	
C/C(=C\Cl)CS[C@@H](C)C1CCCCC1	1643879885	GGTHGAODLYRVBY-UQSGXBNBSA-N	232.820	4.831	0	10	BJAE	
CCC(C)=CCC[C@H]1CCCC1(F)F	1887863033	VBIDVGPTSVPWBM-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
CCCc1ccc([C@H](O)C(C)(C)CCC)s1	1900662779	XPHNGNAJIKYLRD-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
CC(C)(F)[C@@](C)(F)CC[C@H]1C=CCCCC1	1905309819	QGEGJBNTJCNKBW-JSGCOSHPSA-N	230.342	4.989	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@H](CC)CCC	1905434566	LCDUPHHFBRXFLR-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
C=CC=CCC[C@@H]1CCCCC[C@H]1CNCCC	1911960907	QFHJGHOQJPQEFH-SJORKVTESA-N	249.442	4.705	0	10	BJAE	
CC1(C[C@@H](N)C2CC3(CCCCC3)C2)CCCC1	1912643815	CCLLXVRWVOBHRP-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC[C@@H]1CCCCCCCCC1=O	1913389671	MGWQAFKYEYPRKQ-AWEZNQCLSA-N	224.388	4.742	0	10	BJAE	
C1=CCCC(N[C@H]2CCC3(CCCCC3)C2)CC1	1915881281	DRFAACNDSVEALE-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CNC(C)(C)C)C=CCCC1	1916568698	LPYMDHAGRKJUNF-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@](C)(O)CCCC1CCC1	1919980490	GGCSRRTYFYITCJ-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCC1CCC(NC[C@@H]2CCCC23CCC3)CC1	1921603805	OHROTVCVFQUMET-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CCCn1ccnc1C1CCCCC1	1923564999	BESHVHLNCGBXRJ-UHFFFAOYSA-N	248.414	4.757	0	10	BJAE	
c1cc2cc(N[C@@H]3C[C@H]4CCC[C@@H]43)ccc2s1	1940420728	UQEVPKMLNWNUTG-DDTOSNHZSA-N	243.375	4.502	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)CC[C@@H]1CC1(C)C	1940876953	OCZJNAIUAVTIDJ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1csc2ccccc12	1941242845	GZFKTSFVLXGQBW-NHYWBVRUSA-N	248.391	4.617	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)CC1(C)CCCC1	1941244198	UCNPNRCFDGIISH-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C1(C)CC(C)C1	1941984098	PSTADWONSZEXDI-SIWZUTFBSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@H](C)C2C[C@H]3[C@H](C2)C3(C)C)cs1	1944700493	CZPZWVYHOOLKLT-SWHYSGLUSA-N	249.423	4.539	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)c1cccc2sccc12	1945960769	OJPKNMGNJYXEJE-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
CCCC[C@@H](C)N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1947859191	YBFVGZBOBHPPDH-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C2=CCCCCCC2)s1	1948948991	CLBVFRTVYOQEDO-AWEZNQCLSA-N	249.423	4.645	0	10	BJAE	
CCC[C@]1([C@H]2CCC(C)(C)C2)CCCCCN1	1949423392	XTUHYLMPNJXDOV-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1CC2(CCC2)C1	1949839853	LAOCSQJYQGIAQT-CQSZACIVSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)NCc1ccccc1C1CC1	1963218424	SWVCRCRSWOMMSA-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
CCN(CCC1=CCCCC1)c1ccc(F)cc1	1963268940	QBKHOOXWPNXZFT-UHFFFAOYSA-N	247.357	4.543	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]2CCCCC[C@@H]2C1)C1CCCC1	1967709469	YBANTRSFQHTHCP-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@@H]2CCC3(CCC3)C2)CC1	1969974293	UNLHPTKBQKZJLU-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CC(C)Sc1ccccc1N[C@@H](C)C1CCC1	1970341543	DIWZJSQAMDZDQB-LBPRGKRZSA-N	249.423	4.788	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCC(C)(C)C[C@@H]1C	1971489449	NZPJFDAEOWENDO-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@@H](C)CNc1ccccc1C1(C)CC1	1973419857	JBTODRKUDOUPLY-CQSZACIVSA-N	245.410	4.832	0	10	BJAE	
CC1(C)CC(C)(CNC2CCC3(CCC3)CC2)C1	1973670988	UBOUBOBSZDLQID-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](C)Nc2ccsc2)CC1	1980227460	QVQOCFBNXQHWMJ-HIFPTAJRSA-N	237.412	4.765	0	10	BJAE	
CC=CCCCc1ccccc1C1(C)CC1	1984615458	DGPLGORROCGBPF-UHFFFAOYSA-N	214.352	4.637	0	10	BJAE	
CC(C)CC1(C(=O)CCCC(C)(C)C)CC1	1988519735	GZOJIFTXBJYGAK-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(Cl)cc1F	1989823610	HTANBCOKYYSSSZ-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CCCCC[C@@H](O)C[C@@H]1CCCC(C)(C)C1	1994034235	PCPKFDKJIRIZFT-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cccc(C)c1Cl	1994204888	SVVOVXNYLIDFLF-RISCZKNCSA-N	240.774	4.508	0	10	BJAE	
CC[C@@H](N[C@@H](C)C(C)C)C1CCC(C)(C)CC1	1996592189	AQBKFODWKLZYLW-DZGCQCFKSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CC2(C)CCC2)CC1	1997109652	QNOGLECPAPFXBV-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](N)(CC)CC1CC(C(C)(C)C)C1	1998235256	UECMKBBARJFAAB-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC(C)(C)C)C1(C)CCCCCC1	2000371795	JFWCTHRXRBOTAT-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)C(CC)(CC)CC	2000375100	ZBHZNUVZZUCBSS-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CCCC1CC1)CCCC(C)(C)C	2000383232	VZMYOAASYFPQML-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)[C@@H](C)CC(C)C	2000504961	MOXINPURJAERJO-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@](C)(O)CC1[C@@H]2CCCCC[C@@H]12	2002198837	ZSTPRLGLWOUJLF-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002202023	IHFHLTXTNVYAJZ-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(N)[C@H]1CCC[C@H](C)C1	2003014107	KSJXPEXOHDKVIS-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C[C@@](C)(N)[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2003016728	QFVYLDHEJREJCK-ORIJERBGSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)CC1(O)CCCCCCCC1	2003110444	DFYIMCYHAGMQPV-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](C)C[C@H](CC1(C)CCCC1)NCC	2003177505	XSSCEOGUAGJYIY-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC1(C)CCC(N)(C2=CCCCCC2)CC1	2004353697	RTBWBPZCZSVZNM-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
C[C@H](CN(C)[C@@H](C)C1(C)CCC1)CC(C)(C)C	2004814177	FWBTTWMMLIJAJK-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CC1CCC(C)([C@H](O)CCCC2CCC2)CC1	2007699698	YTPCCRDNWLZASJ-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1CCC(C)(C)CC[C@H]1O	2009408073	QWNOYXSQWCAWEG-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCCNc1ccc(C2CCC2)cc1	2009593113	AJPGKXUCPDYSAX-NSCUHMNNSA-N	229.367	4.722	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H](C)C1CCCC1	2009616170	GMTFYVNFFCDQOY-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](C)C[C@@H](NCCC)C1	2009618463	BWDLEJMKSXXDHL-DEOFCCLISA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(NCC[C@]23CCC[C@H]2C3)cc1Cl	2010995832	TVHRORXPOTXPBR-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
Clc1ccccc1NCC12CCC(CC1)CC2	2012809989	KWEVTQCGGQIXOR-UHFFFAOYSA-N	249.785	4.722	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2015191608	LOBCZAACVILTGB-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC(C(C)C)C(C)C)C(C)(C)CC	2015275527	QSCQINASQVOJGD-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC(C(C)C)C(C)C)C1	2015396910	GKENDCLQKYTZIX-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@]2(O)CCCC(C)=C2C)CCC1	2015640674	UZZBUPDUJVCFNS-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@](C)(CC)CC1(CCC)CCC1	2015642167	NFJOMIITOKHCNA-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCCCC[C@@H](CC)NC1CC2(C1)CC2(C)C	2018128454	ASRMJCCTDXXBLS-VQCLRJIVSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C2(C)CCCCC2)C1	2019203826	RNCQWODSGZIJKW-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CCCc1ccc(N[C@H]2C=CCCCC2)cc1	2019495608	APDHAAHYBDHYTJ-HNNXBMFYSA-N	229.367	4.550	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)[C@@H]1C=CCC1	2023257441	MJAYUAQOSZHPRX-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CCCC(C)(F)F	2023304261	LWXZMDYPDFXUDV-CYBMUJFWSA-N	249.389	4.746	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(F)cc1CC	2023445221	BGRANVCFVGUFEV-CQSZACIVSA-N	237.362	4.769	0	10	BJAE	
CCCN[C@H]1CCC(C)(C)C[C@H]1CC=C(C)C	2024126796	YGYSRIIXFIQLKK-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)Cc1csc(C2C[C@H]3CC[C@@H]3C2)n1	2026532079	VTXOZUYHSSPGEL-QJPTWQEYSA-N	249.423	4.635	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1[C@H](C)CC[C@H](C)[C@H]1C	2027792385	DHVFLZGUZCFJOL-XSUJLISDSA-N	249.373	4.617	0	10	BJAE	
CCCCCC[C@H](O)Cc1ccccc1CCC	2027903446	MGUJKOYPXQFCEF-KRWDZBQOSA-N	248.410	4.513	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1cccc(C2CC2)c1	2028548330	CNWZXIVWDHWOCX-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CCCN[C@H](C=Cc1ccccc1)C[C@H](C)CC	2028574640	ZGRMVFZHPNWHBT-NVXWUHKLSA-N	245.410	4.504	0	10	BJAE	
CC(C)C1(CNC2CCC3(CCC3)CC2)CCC1	2032188611	PLOPNWMKOCTMKO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)CC1CCC=CCC1	2032294255	WPRYVKGIKZHULV-MRXNPFEDSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCC[C@H]1CNc1ccccc1C1(C)CC1	2032510995	SLXQABURFUFPMM-KBPBESRZSA-N	243.394	4.586	0	10	BJAE	
C[C@H](NC(C)(C)C1CCCC1)[C@]12CCCC[C@H]1C2	2033147432	OYVQIRRAHGXLCE-JLJPHGGASA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@H]1N[C@@H](C)c1ccccc1C	2035418524	BCVKGLKAVGKFDX-YQQAZPJKSA-N	245.410	4.614	0	10	BJAE	
CCCC1CCC([C@H](N)C[C@H]2C=CCCC2)CC1	2035604033	YDNVVFDGOYJGEV-ODZFXCKXSA-N	249.442	4.667	0	10	BJAE	
CC1CCC(C2(N)C[C@@H]3CCCCC[C@H]3C2)CC1	2035861273	OIOWRPJUJCHXTG-PYBGIAKNSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCN1C[C@H](C2CCC2)CC[C@H]1C	2036781700	TYEUBMBBNFBPEG-NVXWUHKLSA-N	249.442	4.633	0	10	BJAE	
C1CCC(CC[C@@H]2CCC3(CCNCC3)C2)CC1	2037727899	HQSYCKOVVISYMV-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCC(=C[C@H]1CC12CCCCC2)CNCC(C)C	2039078417	HTZRGPBIUOXZSE-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CCCNC[C@]1([C@H]2CCC[C@@H](C)C2)CC=CCC1	2042090670	DJVMKMQHDFZWDJ-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
N[C@@H](CCC1CCC1)c1ccc(C2CCC2)cc1	2042738873	RICLSJUAOYXYBS-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CCC[C@H]1CCC[C@H](N[C@H](C)c2ccoc2)CC1	2043060251	RPXNMUSLELJIRB-YCPHGPKFSA-N	249.398	4.679	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H](C)CC1)C1CC2(CCC2)C1	2043547023	MOOIKSOPDQGQML-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2CCC=CCCC2)CC=CCC1	2045309937	LMKISGNUOQLQIF-DOTOQJQBSA-N	246.394	4.829	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@@H]1CCC=CCCC1	2045316205	BRYHFEGZHNXGJU-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CC[C@H](C2(CNC3CCC3)CCCCC2)C1	2046212400	MYBCQGNOQQBDRT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN(Cc1ccc(C)cc1)C1CCCCCC1	2046562595	TZLYGIPNQWIHRR-UHFFFAOYSA-N	245.410	4.540	0	10	BJAE	
C=CC=CCC[C@@]1(CNCC)CCCC(C)(C)C1	2049517181	HQBGZZFHYKMIIW-QGZVFWFLSA-N	249.442	4.705	0	10	BJAE	
C[C@@H](C[C@H]1CCCC2(CC2)C1)c1cccc(N)c1	2049860199	RVCFNBUQISJGSM-UONOGXRCSA-N	243.394	4.733	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@]1(C)C=CCCC1	2049999045	YUIFTDZSUODVFU-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@@H](N)c1ccc(C)cc1	2050424137	ACBVCHFHOZUYMK-DJIMGWMZSA-N	245.410	4.601	0	10	BJAE	
C1CCC(CN2CCCC[C@@H]2C2CCCC2)CC1	2051675171	PENIGLDKDFGWCF-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H]2CC[C@H]21)C1(C)CCCCC1	2052278164	AJOQTFGSYFTLLM-ZJIFWQFVSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCC[C@H]3CC[C@H]32)CC1	2052287986	GOOJMMDQWFFRGB-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]([C@@H]2CCCC[C@@H]2F)Nc2ccccc21	2055185382	LWBOAOLPZLJTHK-OEYIWLLWSA-N	247.357	4.503	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@@H]1C=CCCC1(C)C	2055523484	ANGBJZKGSBSEPS-RBSFLKMASA-N	249.442	4.536	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C1CC(C2CCC2)C1	2057489821	ZBFOTXSCHFMMDK-XGHPGWEVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H]([C@@H]2C=CCCCCC2)CC1	2058992759	VOOAMULCZGMCKA-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1ccc2ccccc2c1	2059207435	NKPPEDVOJRIZKB-RCAFFNEUSA-N	239.362	4.586	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCCCC23CC3)C1	2059393552	HORVTTIIDBWTGJ-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CC=C([C@]2(O)CCCC23CCCC3)CC1	2061101322	FRUKSQUFGQNGCM-WMLDXEAASA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)C2CC(C)(CC)C2)CC1	2061149416	CPHJJGFNPMBZMS-CRYBEJKASA-N	249.442	4.537	0	10	BJAE	
C[C@H](NC1CC1)[C@H](C)C1=CC[C@H](C(C)(C)C)CC1	2061151805	VODLINRMFAIRAB-YDHLFZDLSA-N	249.442	4.536	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC[C@]23CCC[C@H]2C3)CC1	2061574269	FNSQVDLNXAOICA-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)CC[C@@]12CCC[C@H]1C2	2061639134	RAEWROBNRWEUMD-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
CC(C)CNCCC(C)(C)CC1CC(=C2CC2)C1	2061663126	XDLFCDRSVUWGQN-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@@H]1CC)c1occc1C	2063677053	FBYYXADQXOBVTD-SOUVJXGZSA-N	249.398	4.598	0	10	BJAE	
CC[C@@H](NCCCC1CCCC1)c1occc1C	2063677562	JEIXAZZTAZZHBY-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC1CC2(C1)CC2(C)C	2064118180	PHSHVNZNQVKITC-HCEZTOJASA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CC12CCC(CC1)C2	2065276396	CWFSVRUKMMDUNV-MXGMQVIZSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(OCC23CCC(CC2)CC3)c1	2065285094	BBAOXPMOYHABFS-UHFFFAOYSA-N	244.378	4.598	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C[C@@]1(C)C[C@@H]1C	2070954744	KECMDBKPUBOEGV-SUMWQHHRSA-N	244.378	4.504	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)CC2(C(C)C)CCC2)c1	2071896904	JBKUHMXFKSBEMF-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
CC(C)(C)C1(C(=O)CC[C@H]2C[C@@H]2C2CC2)CCC1	2071925663	HELPFDVDQQUZDL-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC1(C(C)(C)C)CCC1)[C@@]1(C)C=CCC1	2071939609	BOMGAMNSPFGWBW-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@H](NC)[C@H]1CC[C@H](CCC)CC1	2072704853	SQDNYXRCFYSRTQ-ULQDDVLXSA-N	249.442	4.703	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](C)CC1)[C@]1(C)C=CCC1	2072797352	YMBSGIPVXMREDW-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C[C@@H]2C[C@@H](N)C23CCC3)CC1	2072813591	VJWACTLHZWFKQL-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C=C1CCN[C@@H](C2CCC2)C1)CC(C)(C)C	2073772732	STTNAROQOLMJGM-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@H](NCC)c2cc(C)oc2C)CC1	2074641441	JYBJDOIPMSKWRW-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
FCCC1(CNc2ccc(C3CCC3)cc2)CC1	2074644722	UJHXCYMKCZBCHO-UHFFFAOYSA-N	247.357	4.506	0	10	BJAE	
CN([C@H]1CCCCC1(C)C)[C@H]1C=CCCCCC1	2074804372	KNMSPVDFPRORAR-HOTGVXAUSA-N	249.442	4.776	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(C)C2CC3(CCCC3)C2)C1	2074891610	IDMISHLZOFYNAB-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CC1CCC(N2CCCC3(CCCC3)CC2)CC1	2075115334	XMPPIOMSFHYHSL-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H]1[C@@H](C[C@@H]2CC=CCC2)CCCC1(C)C	2076401187	JVXUIZGTBYCXSP-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1(CCCN[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079532159	VRWLTBXMNCISEI-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@]1(N)C[C@H]1C[C@@H]1C1CCCCCC1	2079661178	OMJNZGJHCHKBBB-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@@H]1C[C@H]1C1CCCCC1	2079830725	FDGXSGWKTIDWEQ-GVDBMIGSSA-N	249.442	4.667	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2C[C@H]2C2CCCC2)CC=CCC1	2079849612	AARKZHBFEQWUBF-ZOBUZTSGSA-N	246.394	4.518	0	10	BJAE	
Cc1coc(C)c1C(=O)C[C@@H]1CCCC(C)(C)C1	2082984477	BGQGSMCMBMFQOK-ZDUSSCGKSA-N	248.366	4.686	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](C)c2ccc(C)c(C)c2)C1	2085252226	MMOKRQVEGWLQCU-INMHGKMJSA-N	245.410	4.533	0	10	BJAE	
Cc1cc(C)c(CC2CC(=C3CC3)C2)c(C)c1	2216050769	RZWUWGYTHJIFGA-UHFFFAOYSA-N	226.363	4.655	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)C)[C@@H](C)[C@H](C)CC	2217126759	BNRJPJFFFWGDQQ-UGUYLWEFSA-N	241.463	4.719	0	10	BJAE	
Cc1cn(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)c(C)c1C	2218331560	JXEHBGWBIZCWFD-FVQHAEBGSA-N	245.410	4.630	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)CC2C[C@H]3CCC[C@H](C2)C3)C1	2218336606	XCRZNCBIAXSUPY-RZLSGREXSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218360236	ZYKVZMYSTMRVJV-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC(C)NCCC=CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218361033	IZVPQCMCTKWUEY-OSYLJGHBSA-N	249.442	4.537	0	10	BJAE	
Fc1cccc2ccn(CC3CCC=CCC3)c12	2220311817	BRCYCKXWUZMKSU-UHFFFAOYSA-N	243.325	4.527	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	2220872360	CIWURBKPJIVZMW-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H]1CCNC2(CCCCC2)C1	2220915472	CDJVEGMQALWNCU-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC2(C)CC3(CCC3)C2)C1	2221082592	BLGOSCISGSNWOP-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CC1)[C@]1(C)CC=C(C)CC1	2221632021	PEDIFTKRBHGGRP-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC2CC2)CC=C(C)CC1	2221654880	QCGFDRODKJIBEF-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CCN[C@H]1C1CC1	2223132868	OZQWKNLSRTXQMB-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@]1(CCC1CCCCC1)CNC1CCC1	2223607596	YEZRXTAGFJDTEF-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](C)(O)CC[C@H](C)CCCC(C)C	2244851732	MGUPXUJYBOVIPA-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CCCC[C@@H]1C[C@@H]1C	2247114232	GYEBBUMNKADNIU-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)[C@@H]1CC1(C)C	2250468663	GKZZIUZYBBUTMJ-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC=C[C@@H]1N	2250480495	GLLFJCXDAIOCKN-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)CC[C@H](C)CCCC(C)C	2250486313	QZHHGBPTGNBVCT-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(-c2nc3c(s2)CCC[C@H]3C)cc1	2252756621	ASILEVCLYGUUNS-LLVKDONJSA-N	243.375	4.558	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C(=O)CC[C@H]1CCCCC12CC2	2253855648	NXDYRJFQDDDYJQ-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]1NCC[C@@H]1CCCCC12CC2	2253892056	YXZFCLXORKORKH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(=CC[C@H]1CCC[C@H](C)C1)c1cccc(N)c1	2253999686	YHKWGWCLRDBQCX-DZGCQCFKSA-N	243.394	4.889	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@](N)(CC2CC3(CCCC3)C2)C1	2254114850	NSQRAFFXQMBFGP-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCN(C[C@H]1CCC12CCC2)C1CCCCC1	2254917029	UTCKGBWIPJXDPM-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)C[C@H]1CCC12CCC2	2254974728	QYEVXBYQTKWBBM-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@H]1CCC[C@H]1C(C)C	2255054380	UEWOASOTQYOXNV-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c(CC2=CCCCC2)c1O	2255175519	IUVLPKPWDOISRK-UHFFFAOYSA-N	244.378	4.867	0	10	BJAE	
CCC1CC(C[C@H](N)CC[C@H]2CCCC23CC3)C1	2255275461	JKMPVVRONRWEMZ-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC(=CCCCC[C@@H]1C[C@H]1C)[C@H]1CC[C@H](N)CC1	2257238511	BIZWORWXMHWRIX-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CC[C@@]3(C)C[C@@H]23)c1	2257907771	RYFNGLHFBZSEHS-UXLLHSPISA-N	243.394	4.585	0	10	BJAE	
Cc1cc(NCCCC[C@H]2C[C@@H]2C)cc(C)c1C	2258233539	OXBMOJKUUDJVGW-HOCLYGCPSA-N	245.410	4.850	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cccc(C(C)(C)C)c1	2259449042	UIVGOMMAUDONKQ-CYBMUJFWSA-N	246.394	4.993	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2260528223	RLNLBXKRUCKXBC-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(NC[C@]23CCC[C@@H]2CC3)ccc1C	2260592520	QUEUZAMXGLKUQQ-NVXWUHKLSA-N	243.394	4.550	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@@]23CCC[C@H]2CC3)C1	2260650652	FVBRMZFWFLIHHC-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC=C([C@H](N)C2CC(CC(C)(C)C)C2)CC1	2261191502	QSFPSFBQQVCOPO-XCAIRMDXSA-N	249.442	4.523	0	10	BJAE	
CCCN(C1CCCCCC1)[C@@H](C)CC1CC1	2298897506	ZPXAUKUZCHHXFO-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H](C)C(C)(C)C	2300463718	PSJYIEWSPIIAQF-ZDUSSCGKSA-N	233.399	4.965	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@]1(C)CC=C(C)CC1	2300681025	KPEDAKSAJVPQAC-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)CCC1(O)C[C@H]2CCC[C@@H](C2)C1	2300689156	VAUYEMNZVFRHDS-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@H](CC1CC(C)(C)C1)NC	2300689169	VELMZNDKKJQXON-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CCCCC12CC2	2300703491	GVDMLXVSGHDFHK-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCc1cc(C(C)C)ccc1OC	2300861672	VBWZCRNMMGOBQF-UHFFFAOYSA-N	232.367	4.717	0	10	BJAE	
CC(=CC[C@H]1CCCC[C@@H]1O)CCCC(C)C	2300870082	QLBJRMNFHLESOI-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@@H]1CC=C(C)CC	2300926773	OWPIOWWGXKFTEO-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC1(CC(=O)CCC2=CCCCC2)CCC1	2301922173	WECBCLMASKKQQY-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCC1(C)CC(N)(CCCC2=CCCCC2)C1	2302324084	VDGWKXBZZCDAPW-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCc1cscc1NC[C@H]1C[C@@H]2CCC[C@@H]2C1	2302893103	RXURORBDSOCCGS-DEZZGGKRSA-N	249.423	4.549	0	10	BJAE	
CC1=C(C)C[C@](N)(CC2(C)CCCCC2)CC1	2303470943	KYOSXOIRFHCTHK-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](CCC[C@@H](O)C(C)(C)C)CC1	2303594695	KQKGCJPQCGTPSG-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CC=CCCCC(=O)c1cccc(C(C)C)c1	2303709605	KHSMJVVYDPHYCJ-UHFFFAOYSA-N	230.351	4.739	0	10	BJAE	
CCN[C@H](CC)[C@@H](C)CC[C@H]1CCC(C)(C)C1	2304439661	MBNDFHGSSDADLO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCc2ccccc2N1	2307801169	KARDXHQAYJBRKA-DZGCQCFKSA-N	231.383	4.630	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC1(C)CCCC1)NC	2307906263	CXSHBISUUSYTRF-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@]12CC[C@@](N)(CC3(C)CCCCC3)[C@@H]1C2	2310126326	KWUYXAVASKPHAO-HYVNUMGLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C[C@@]12CCC[C@@H]1CC2	2313320639	XKHXDSRYTOPPBH-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC(=CC[C@@](C)(N)c1ccco1)CCCC(C)C	2316543027	VVBHSMFFQOCHOH-MRXNPFEDSA-N	249.398	4.616	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317119968	AWTWOFFIVRMTFT-AIANPOQGSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1cccc2ccccc12	2317821525	WDGDEZCMHZPUSH-KBPBESRZSA-N	241.378	4.932	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCCC1(C)C	2317917431	IZTQQIWAMPBBDF-OAHLLOKOSA-N	249.373	4.940	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)c1ccc2c(c1)CC[C@@H](C)N2	2317950929	OIANMEMFXISQED-MGPQQGTHSA-N	245.410	4.829	0	10	BJAE	
CC(=CCCC1=CCCCC1)c1ccc(N)cc1	2318557036	GYVDQOOPKRPQOF-UHFFFAOYSA-N	241.378	4.953	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)CC2CC3(CCC3)C2)C1	2319119665	WQUHQBSRSVBYBK-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@H]1CC[C@@H]1C1CC1	2319587703	IACFENNPILZCKG-DUFGSWQCSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC[C@@H]2CC[C@H]2C2CC2)CC1	2319747579	GJXBEUKLKUYXRG-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC[C@@H]1CC[C@@H]1C1CC1	2319751537	XFFJSCIASBZQLM-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
CCc1cccc(NC[C@@H]2CC[C@@H]2C(C)(C)C)c1	2320320150	LPDSTRFTLLUDGJ-HOCLYGCPSA-N	245.410	4.733	0	10	BJAE	
CC1=C(C)C[C@](CNC(C)C)(C2CC(C)C2)CC1	2320401422	IWZOSYIYSFIXSA-QWFMPGPPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@H]1CC)c1ccco1	2320453665	HCJWFXXDMJWTAP-KFWWJZLASA-N	249.398	4.537	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@H](N)c1cccc(C2CCC2)c1	2320656898	GTOWKDJBVTXTBK-IGCXYCKISA-N	245.410	4.636	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)CCC(C)C)c1	21516094	HVVPDKKOWIJPKS-CQSZACIVSA-N	219.372	4.540	0	10	BJAE	
C[C@@H](Nc1ccccc1C(C)(C)C)C1(C)CC1	36956549	PFUNMTXSPUPOIF-GFCCVEGCSA-N	231.383	4.585	0	10	BJAE	
C[C@H]1CCC[C@@H](C)C1NC(C)(C)CC(C)(C)C	37100671	ZTHXZWMKCXMGIS-PBWFPOADSA-N	239.447	4.616	0	10	BJAE	
CCCC(CCC)NCC[C@H]1CCC[C@@H](C)C1	70537407	IURNCEQTSPJNOY-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
Cc1c(Cl)cccc1Nc1ccc(F)cc1	82714881	LCCOXHMYKLJSJF-UHFFFAOYSA-N	235.689	4.531	0	10	BJAE	
CCC1CCC([C@@]2(N)CCCC(C)(C)C2)CC1	85078599	NPJBZCJGKYOPQY-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCCCC1CCC(N)(CCC(C)(C)C)CC1	86566166	XYMBNANLGJQQFG-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CCCC1CCC([C@@H](NCC)C(C)(C)C)CC1	87964185	ZENZGSNLTBCQMP-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](O)c1cc2c(C(C)C)ccc(C)c2o1	88072639	PQEPQPDQONYWMJ-AWEZNQCLSA-N	246.350	4.698	0	10	BJAE	
CCC(CC)Oc1ccccc1C(C)(C)C	94678419	ATRGJHDBXURFHD-UHFFFAOYSA-N	220.356	4.552	0	10	BJAE	
CCC[C@H](CC)Nc1nc2cc(C)ccc2s1	104163930	DAHPUFVGNOMTIF-NSHDSACASA-N	248.395	4.595	0	10	BJAE	
Cc1oc(N)c(-c2ccccc2)c1-c1ccccc1	106520339	CCTLEGVECPKPSV-UHFFFAOYSA-N	249.313	4.504	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)CC1CCCC1	110203510	HAMCVCOKGIESQI-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc2ccccc2n1	110382680	PSPMSXLOQDPAJE-CYBMUJFWSA-N	242.366	4.616	0	10	BJAE	
CCCCC[C@H](NCCC)c1csc(C)c1	129452417	ZCLWFPLYPLLOBP-AWEZNQCLSA-N	239.428	4.678	0	10	BJAE	
CCN[C@H](C)CCC1CCC(C(C)(C)C)CC1	130317012	FIPRAXJOUDHYCF-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(-n2cccc2-c2ccccc2)c1	139066845	DXKGBMXUCHRGBJ-UHFFFAOYSA-N	247.341	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](N[C@H](C)C2CCCCCC2)C1	150103774	GTVJAXADGBXNEB-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1(CC)CCCC1	167117428	BBTDKJVVGATSKP-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CCC1CCCC1	167169455	WYRLRTRNYNCDNL-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)CN(C)c1ccc(C)cc1	220683726	JAEBHWDDTTWAEX-HNNXBMFYSA-N	233.399	4.648	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(O)CCCC(C)(C)C1	226908384	PMXAAIDNLTXGOI-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](CC)C2CCCCC2)C1	227202896	LSOYOSFEBUQBLH-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1CC[C@@H](CC)C1	227463964	NKNLHLORYXGWOE-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)(C)C)[C@H](C)CC	228811874	ZWHJNKXYQWBZND-CZUORRHYSA-N	247.426	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H]1CCC12CCCCC2	230166762	IFCYQDKWFZMQOJ-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCC[C@H](C(C)C)C1	230998594	CKOZLORYRJPBNA-UONOGXRCSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)C1=CCCCCCC1	232974202	RHIGVKMZOZWPNI-GDBMZVCRSA-N	237.431	4.811	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@@H]2CCCC(C)(C)C2)C1	235389111	HUUKWSPNAIZXOV-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C2(C)CCCCC2)c(C)c1	235874615	FPTYPWZXXVEZBS-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCC23CCCCC3)CC1	300574504	NVUHVUWUXZUERF-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C1(C)CCCCC1	300884018	OXFAYEMMRSMMCC-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CC(C)c1ccc(C[C@H](N)CCC(C)(C)C)cc1	305959707	WNHGXWXKIGMUDC-MRXNPFEDSA-N	247.426	4.506	0	10	BJAE	
CSc1cc2sc(C)cc2cc1Cl	306771431	GJTHJAFQBFHGEN-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)[C@H](CC)CC(C)C	308051496	DNTVDTAOQKPREK-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CCCCC12CCCC2	310318474	XZJNOXFYRGPISN-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@@H]2C[C@@H](C)c3ccccc3N2)CCC1	310900058	AYXKENZYELOEIB-KGLIPLIRSA-N	243.394	4.945	0	10	BJAE	
CCC[C@@](O)(CCC(C)(C)C)C1CCCC1	313411804	PHERRQDJDAVLRU-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)CC[C@@]1(CNC(C)(C)C)CC[C@H](C)C1	318021916	OJDDAZBETZLNDK-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)CCCC[C@@H]1C(C)(C)C	319750457	XJIBUVCVUHUBLA-TTZDDIAXSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](C)[C@@H](CCCCCC(C)C)C(C)C	383384795	NBKNVYSULHEWGO-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCOc1ccc(N[C@H](C)CC(C)(C)C)c(C)c1	384639991	AQONQJOKOHHDHO-CYBMUJFWSA-N	249.398	4.630	0	10	BJAE	
Cc1ccc2c(ccn2CCC2=CCCCC2)c1	384916905	DJUPSKWWNDAYQJ-UHFFFAOYSA-N	239.362	4.840	0	10	BJAE	
CCCCCC[C@H](C)NCC(C)(C)C1CCC1	385027273	JPZLDACXLRGYCI-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCCC[C@@H]1c1nc(C(C)(C)C)cs1	385034121	QIGQZKHHIUWDEO-QWRGUYRKSA-N	237.412	4.734	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC1CCC(C)(C)CC1	385052873	BXBOABGECRKKBD-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC[C@@](O)(CCCC(C)(C)C)c1cccc(C)c1	385120087	DMUILNPOVFHHPF-QGZVFWFLSA-N	248.410	4.809	0	10	BJAE	
CCCCC[C@H](C[C@@H](C)c1ccccc1)NCC	385229800	UFGORBUOFVGAEI-NVXWUHKLSA-N	247.426	4.739	0	10	BJAE	
CCC1(C[C@H](N)c2ccc(C(C)C)cc2)CCC1	386643868	RRSICMHTFKCQSS-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1C[C@H]1CC(C)C	388265557	VICXZRDBWUGKBZ-CABCVRRESA-N	238.415	4.844	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCCC12CCC2	394802552	FYWSVCUTRRGJBB-HNNXBMFYSA-N	243.394	4.692	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H](C)CC(C)(C)C)c1	394974735	BOSCQFKJEQXJJW-LLVKDONJSA-N	239.790	4.885	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CC1(C)CCCC1	395159191	SAEDOYVRHLWXDS-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@H](C)C(C)(C)C	399024249	GQQXDFKEOJBAPM-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(C)c1NCCC(C)(C)C1CC1	406073974	PMZBSJGAHUMEIN-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CCCC1(/C=C(\CC)CNCC(C)C)CCC1	686132220	ZQXGIPXUPGOVHJ-RVDMUPIBSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCCC(C)(C)CC	686303488	PVYLBUIVKZLIIN-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CCCC2CCC2)C1	688354184	ROUWXMQNCGBXOB-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cccc(C(C)C)c1	688898823	HYIBCCOGJLKQQZ-OAHLLOKOSA-N	234.383	4.670	0	10	BJAE	
CCc1cc(N[C@@H](C)CC2CCCC2)ccc1C	689736925	GOTFSWAWFLFCFS-AWEZNQCLSA-N	245.410	4.938	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCC23CCCC3)CC1	693795164	NMNILNFXPYOAOW-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCCC(CCC)N[C@H]1CCC12CCCCC2	693818031	ZXHZGWCEXWBERA-HNNXBMFYSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CCC12CCCC2	694472502	IYGKFWQJAVBQNL-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@H]2CCCC3(CC3)C2)C[C@H]1C	695914660	CRPFQLDKXYZZRP-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1CCCC1)CC(C)(C)CC	696185421	GSSCOOFQCGIEQV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)CC(C)(C)CC	696251419	WSWRNJYPJICGFF-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCC[C@H](C2CC2)C1	696805192	GDMYXALNEKIOIP-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)[C@]1(C)CC[C@@H](C)C1(C)C	699088726	IVGUHIWOHVACTE-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
Clc1ccnc(-c2ccc3sccc3c2)c1	700944001	YDCYWPDEMWOJSS-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CCCN[C@H]([C@H](C)c1ccccc1)C(C)(C)CC	701150107	GHTZFLPURFKQLE-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
CC(C)(C)CC[C@]1(CNC(C)(C)C)CC1(C)C	702147744	MGCYGHGXWAHMHJ-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CCC=C(C)C)CC1	704906077	FUHLSEKPVSHYOG-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C1CCCCCC1	704912177	VMSBCVXQTCFHHR-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@@H](C)C1CCCCC1	704936318	CXXYHSMCRPBOGX-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)c1cocc1C	705160688	NTGPIKOZLYFRGY-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H](C)CC(C)(C)C)c1	709260132	JOURLXLXDOEINQ-ZDUSSCGKSA-N	232.367	4.558	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)C12CCC(CC1)CC2	710259025	YFWWHVFFYFHYQV-WIHSUSGWSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@H](CC)CC(C)C	713244594	VHLZMZFHGYZKSO-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@](C)(CNC(C)(C)C)C1CC1	713252437	UDZAPTJFLBDWBW-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
O=C(CC1CCCC1)[C@@H]1CCC[C@H]2CCCC[C@H]21	714435653	QXYIXVAYLAHWGO-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1CCC12CCCC2	719294825	BBYDTRNFSBQROP-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)C1(C)CCC1	720738960	OXGLNFMTXRDMSM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H](C)c1ccco1	720945867	WEFCCBFFSHECBU-UKRRQHHQSA-N	249.398	4.679	0	10	BJAE	
CC1(C)CC(CNc2cccc3ccsc23)C1	723579045	OYVPFKUHJCUTQN-UHFFFAOYSA-N	245.391	4.749	0	10	BJAE	
CCCC[C@@H](CC)CSCC(=O)C(C)(C)C	1188862980	HDKYRJWNQLQUAR-GFCCVEGCSA-N	244.444	4.551	0	10	BJAE	
C=C/C=C\CCS[C@H](C)c1cccs1	1458956004	DBSJOUCUISLQMQ-DOGVGXBMSA-N	224.394	4.675	0	10	BJAE	
C[C@H](SCC(C)(C)C)c1ccc(F)cc1F	1473030075	CWURTURAIKEKKR-VIFPVBQESA-N	244.350	4.805	0	10	BJAE	
Cc1cccc([C@@H](C)SCC(C)(C)C)c1	1643920816	DGGCPJPUUAUQMA-GFCCVEGCSA-N	222.397	4.835	0	10	BJAE	
Cc1ccc(S[C@@H](C)CC(C)C)cc1C	1651629238	GYSUFKGVQGUVHU-ZDUSSCGKSA-N	222.397	4.830	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H](CC)CCCC	1900883670	RSECMPNYZKKRKI-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CC(C)(C)CCCN[C@@H]1CCC2(CCCC2)C1	1916410855	XPRXYBCDJRNHII-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@](O)(CC(C)C)c1ccccc1	1920024302	DBNWXYVYAYIYIF-KRWDZBQOSA-N	248.410	4.747	0	10	BJAE	
CCC1CC([C@H](O)c2ccc([C@@H](C)CC)cc2)C1	1921168529	BSQZYNFDAUPIES-ZJOIDMRUSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)C(C)(C)C1CC1	1925801394	CFILJDKTHYSRDU-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCNC[C@@H]1CCC[C@H](CC)C1	1926172785	DNZLCTRJCUQQJK-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(Cl)ccc1OCCCC1(C)CC1	1935921105	LRMFZLBFPDFPSZ-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)CC1(C)CCCCC1	1940377687	HBVGHLJXAMAIOU-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CCC1(C)CC1)NC	1940789684	FNOXPAXSCMCMKZ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@H]1CCCC1(C)C	1940879366	YVWPLJIKGFVVDF-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)c1cccc(N)c1	1940975283	BWDGWXPVUJDOIY-KGLIPLIRSA-N	233.399	4.979	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@@H](CC(C)C)C(C)C	1941265807	YJJILAFPNFJFDM-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CC(C)(C)CC)NCC	1941274093	WHYFINAESSIRKV-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)CCCC1CCC1	1941466700	VKWPJEVAMHOPKR-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
Oc1ccc(-c2ccc(C3CC3)cc2)cc1Cl	1941560222	VELTYGJLBASAGS-UHFFFAOYSA-N	244.721	4.590	0	10	BJAE	
CC[C@H]1CC[C@H](NCCC2CCCCCC2)C1	1941720326	YGMQXQLVCUVQHC-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1CCC=CCC1)NC	1941795980	VGAGDNZKEFFKCH-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)C1CCC(C)(C)CC1	1942665292	XCBKDFWPYIMZBC-HIFRSBDPSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)C[C@H](O)[C@]12CCCC[C@@H]1CCC2	1944138786	CMBSJIXWUMTQMN-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
Cc1sccc1C(=O)[C@]12CCCC[C@@H]1CCC2	1944219443	CDJVAVLDUMVGHW-DOMZBBRYSA-N	248.391	4.600	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H]1CCC[C@H]1C	1944797316	NTTBCIXRNKQBNS-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CCC2CCCCC2)C1	1945580934	BRJVJBNZAMFPBB-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)NC1CC(C2CCCCC2)C1	1945993608	AIRMJCMUIPPYHL-JEYLPNPQSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCCC1(F)F	1947265964	GONIUQBXBZYHGO-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC(C)(C)CC(C)C	1947459723	JBDYBSABUZUZIL-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCCC1=CCCCC1)NCC	1948422021	BOTPUGZSVLMUGA-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CCC(C)(C)C1CC1	1949033845	NLLVCGFFRXDIKL-XJKSGUPXSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H]1CC12CCCCC2	1950598811	JEUXYRJPNWFJQG-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)c1nc([C@H](C)CC)cs1	1960043437	DIFONTUAMJRGIH-MNOVXSKESA-N	225.401	4.950	0	10	BJAE	
CCC1(CC)CCCN(CC2CCC=CCC2)C1	1966276865	YKEZXPSDICXMSL-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CC[C@H](CN[C@H]2CCCCC23CCC3)C1	1967718127	YGCUDVIOAFRPSE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1[C@H]2CCCCC[C@H]21	1968351302	GUWQEOZPQGACBH-ZSHCYNCHSA-N	243.394	4.542	0	10	BJAE	
Cc1ccc(OCC2[C@H]3CCCCC[C@H]23)c(C)c1	1968397114	WHCCXRNDSUYRMG-GJZGRUSLSA-N	244.378	4.509	0	10	BJAE	
CCCC(CCC)CN[C@@H](CC)c1ccccc1	1968550138	VLZSZRMJKVNQFT-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCCC1CC2(CCC2)C1	1973744216	NRVZVCQXROPSDU-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)c1ccsc1C	1976010427	KSWFPRXGHIXNFW-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@@H](N)c1csc(C(F)F)c1	1978583603	XLAVBNOWORHDCB-SNVBAGLBSA-N	247.354	4.656	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CCCC(C)C	1990810152	QUDOMUGNCLMNLO-OAHLLOKOSA-N	227.436	4.569	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@H](C)CC(C)C	1990815555	AUHNHSVFRDLHEN-CQSZACIVSA-N	227.436	4.568	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1C[C@H]1CCC	1993001145	ZYMZTCQBSHBYOH-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC1(CC)CC1	1995261387	DQGPKGDMYUOKQC-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CC[C@H](Cn2ccc3cc(Cl)ccc32)C1	1996230272	HMJRSUAQERRISU-RYUDHWBXSA-N	247.769	4.731	0	10	BJAE	
CCCSc1ccccc1N[C@@H]1CCC[C@H]1C	1996572466	DPKFEIMXAUPQTJ-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C1CCC(C)(C)CC1	1996595933	ZOTKSNHYEASXIK-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H]1CCCC2(CCC2)C1	1997042647	LFDIQEQFFNUZPN-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCCCCN(C(C)C)C1C[C@H](C)C[C@@H](C)C1	2000901224	WYHXKDLWTDQZSV-HUUCEWRRSA-N	239.447	4.712	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H]1CC12CCCCC2	2001259110	LCQMVOXVBKKLKX-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1C[C@@H](N)C[C@H](CCCCCC(C)C)C1	2006633152	XSJDPSZKMLFLKQ-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC1(C(=O)[C@@H]2CCC[C@H]2C)CCCC1	2006720949	FJPSRXJJBDYANM-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@@H]2CC2(C)C)CC1	2009405261	WXBZDJMYVPZPBM-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](CC)CC[C@@H]1NCC	2009619726	NYOOLCHGGNVIOB-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@H](C)CC[C@@H]1NCC	2009628894	PAADIGNUJUEQFX-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C12CCCC1CCC2	2012119075	CMQLISNDJXFFHE-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CC12CCC(CC1)C2	2012824047	LHLPHHGKGFRKGX-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC(C)(C)C(C)(F)F	2013295349	FFJYAPXGQNUPEG-AWEZNQCLSA-N	249.389	4.602	0	10	BJAE	
CSc1ccc(N[C@@H](C)[C@H]2CCC2(C)C)cc1	2014906410	ZDHOLSSINREBSE-SMDDNHRTSA-N	249.423	4.645	0	10	BJAE	
CC[C@](N)(CCC(C(C)C)C(C)C)C1CCC1	2015361020	OKZXBMWGFRMNAX-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)CC(=O)[C@]12CCCC[C@H]1CCC2	2015388629	WOUBSERAKTVWFY-YCPHGPKFSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(CCC(=O)[C@@H]1CCC[C@@H]1C)C(C)C	2015394391	NTQMJXIIQAQHBZ-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@@H](O)C2(CCC)CCC2)CCC1	2015639588	IHEBSAVNSYUFGU-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@H](CC(C)(C)CC)NC)CCC1	2015642242	OHAZIFIWAWJGCD-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)c1csc(C2(CC3CCC3)CC2)n1	2015792254	GTPRZDNXZKKGFC-UHFFFAOYSA-N	249.423	4.662	0	10	BJAE	
CC(C)(C)C1(CC2(CN)CCCCC2)CCC1	2017139901	ARGUIDTUKSZGOC-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1(C(C)C)CCC1	2017489280	GBQSWUJAZMTNNT-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@](C)(NCCCC2CCC2)C1	2017612513	JABYVIUXVBAKQK-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC[C@H]1CC[C@H](C)CC1	2017651598	WNLIMMQVEXRYCV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)C[C@H]1CC[C@H](C)CC1	2017716398	RRHYWUWRZZFWAA-ZQDZILKHSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(C[C@@H](N)C2(C)CCCC2)CC1	2017723818	VMQQZUXDQFYSKT-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)CCC2CCCC2)CC1	2017728771	OXCJWOQFQMBLKA-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2CCC[C@@H]2C)CC1	2017775271	ZRGXWBATEWIJGY-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CC(=O)C[C@H](C)C2)CC1	2017775542	CXFIJHMLWDIJDO-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)Nc1cc(F)ccc1C	2018139478	SDDAXTRHRSJDJI-AWEZNQCLSA-N	237.362	4.905	0	10	BJAE	
CCC1(C[C@@H](N)C2(C)CCC(C)(C)CC2)CC1	2018991341	UGPWGZDGBJHEFV-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@@H](C)C(C)(C)CC	2019199283	KJBWHLUUYHFPQP-ZNMIVQPWSA-N	239.447	4.712	0	10	BJAE	
CC(C)c1ccc(N[C@H]2C=CCCCC2)cc1	2019496604	SJHVHRVLRNACBE-HNNXBMFYSA-N	229.367	4.721	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CNc1cccc2ccsc12	2022479629	DMWDVDVAPIDVNP-QWHCGFSZSA-N	245.391	4.605	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CC1(N)CCCCCCCC1	2022562791	LOYSBUULOUYLET-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC(=CC1CC(C)(C)CC(C)(C)C1)C(C)(C)N	2024089525	QPIZMVZONMGXIW-UHFFFAOYSA-N	237.431	4.523	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1N[C@H]1CC[C@@H](CC)C1	2025595723	GIQFJUNZTCCLEW-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CC1(C)C(C)(C)C1(C)[C@H](N)CCC1=CCCCC1	2027150070	GKCYFJPONIYPEM-CQSZACIVSA-N	249.442	4.667	0	10	BJAE	
CCCc1ccccc1CNc1ccc(C)cc1	2027901409	KYXNSWDVMBQQES-UHFFFAOYSA-N	239.362	4.560	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)c1ccccc1C1CC1	2028561750	DBGISXBRKPJINL-GFCCVEGCSA-N	244.378	4.819	0	10	BJAE	
CCC1([C@@H](O)c2ccc(C3CCCC3)cc2)CC1	2031752619	PYOXDZZIWCTYCS-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
C[C@H]1CCC[C@H]1CC1(N)CCC2(CCCC2)CC1	2032504582	BXCFBQMCAZBJOW-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@H]2CC[C@H](C)C2)cc1	2033389564	SYXDFARDTBQNOU-PYTWLRIVSA-N	245.410	4.636	0	10	BJAE	
Fc1ccc(C[C@H]2C=CCCC2)c2ccccc12	2035564168	PHKMDPPTNCNUOC-ZDUSSCGKSA-N	240.321	4.878	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)C1(C)CCCC1	2035576924	UGDOXOSJAQVLAN-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@@]1(N)CC1CCC=CCC1	2037206764	DTIZAXZBQGLCEZ-DJIMGWMZSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@@H]1CC1CCCCC1	2037221888	ATVFEUXCUMAJHQ-XJKSGUPXSA-N	243.394	4.802	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C[C@H]2C=CCC2)CC1	2037305449	CURAWAOIMVFWLM-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CCCNC[C@]1([C@@H]2CCC(C)(C)C2)CC=CCC1	2037683180	QRWRSVFGLSIYQD-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC1CC(C)(CNc2cccc(C3(C)CC3)c2)C1	2038885838	PGNHTJFDXNPHIQ-UHFFFAOYSA-N	243.394	4.586	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)C[C@@H]1CCC[C@@H](C)C1	2039440566	GJUUNWVDQDKRCT-GWZLXJJCSA-N	249.442	4.523	0	10	BJAE	
CCCNCC1(CCCCCC2CC2)CC=CC1	2042098828	MJFFLRJJKUSDPK-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C[C@H]1C[C@H](NC2(C3CC3)CCCCC2)CC[C@H]1C	2042948801	MUXVCJFTRTVOOF-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C1CCC1)N(C)C[C@H]1CCC=CCCC1	2045311311	IXPAQFHLPUQLSE-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C1[C@H]2CCCC[C@H]12	2045312216	XQNJEKMYLUNHEL-ILXRZTDVSA-N	246.394	4.518	0	10	BJAE	
CCC[C@H]1CCCCN1C[C@@H]1CCC=CCCC1	2045313691	BKLAZRUTEOQQEF-SJORKVTESA-N	249.442	4.778	0	10	BJAE	
CC(C)c1ccc(C(=O)C2(C(C)C)CCC2)cc1	2045570578	GQFRJSLGWZISPX-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@H]2CCCC3(CC3)C2)C1	2049952656	YWRDQWJXXZTAJR-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@]12CCCC[C@@H]1CCC2	2051400959	GMPWMEULYNQLLN-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCC[C@@H]3CC[C@@H]32)cc1	2052285825	CUXLQDXQDJKNEN-HYVNUMGLSA-N	243.394	4.801	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC12CCCC2)C1(C)CCC1	2052351138	FECPUMXXNGPOPF-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CC1=CCCC[C@@]1(N)C1CCC(C(C)(C)C)CC1	2055616005	OWOUPAFJSYGMEX-DQPZFDDXSA-N	249.442	4.667	0	10	BJAE	
C/C=C/CCCN(C)C1CCC2(CCCC2)CC1	2059206440	LJOOGJHJQQFUGA-ONEGZZNKSA-N	249.442	4.778	0	10	BJAE	
C/C=C/CCCN1CCC[C@@H](C2CCCCC2)C1	2059207056	LKFNZBGKTXXOBL-RCAFFNEUSA-N	249.442	4.635	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1c(C)coc1CC	2059261690	GSSPLBAJVJPRLA-CQSZACIVSA-N	249.398	4.547	0	10	BJAE	
CN[C@@H](CC1(C)CC1)C1=CC[C@@H](C(C)(C)C)CC1	2061100543	XMMLRWVRMNYMKM-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C1=CCC(C)(C)CC1	2061114194	WHIAFNOKABXALJ-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CC(C)C(C(C)C)[C@H](C)NC1CC(=C2CCC2)C1	2061258035	JXLHLAOVDDWRBB-ZDUSSCGKSA-N	249.442	4.536	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CC[C@]23CCC[C@H]2C3)C1	2061604583	AIQHNQGBKFTRER-CLBVLKOUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CC1CC(=C2CC2)C1	2061684964	MGFNVCNUSSIHFR-IAGOWNOFSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@@H]1C)c1ccccc1	2062653312	ROEDIKOLRKHWJN-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CC(=O)C[C@H](C[C@@H]2CCC=CCCC2)C1	2063712630	FVMBGRFHTVFAQW-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CC23CCC(CC2)CC3)C1	2065281841	KMYZNBDMHYFNDE-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)c1ccc(CN)cc1	2067354635	NMHQIFMQIKLDNA-GJZGRUSLSA-N	247.426	4.855	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)C[C@H]1CCCC2(CC2)C1	2068272679	AFDUMVAGJWHUAB-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(N[C@H](C)[C@@H]2CCC2(C)C)cc1	2068290436	YNYMMHCJNGAEMW-CJNGLKHVSA-N	245.410	4.876	0	10	BJAE	
Cc1ccc2oc(C(=O)C[C@H](C)C(C)C)cc2c1	2068985623	ZUVYGGHJAXIFQB-LBPRGKRZSA-N	244.334	4.606	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@H]2C=CCCC2)CCC1	2069336695	CLVMXDCKMSGFQB-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNC1(CC2CC2)CCC1	2069496394	NLIUAVHFINDVRI-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC12CCCC1CCC2	2070400936	ZRUAPIJJAHANJV-GTPINHCMSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C[C@@H]2C=CCCC2)CC1	2072697988	YDNVVFDGOYJGEV-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(C[C@@H](N)c2cc(C)co2)CC1	2072795312	CKNBNLIPAMQOPO-YMAMQOFZSA-N	249.398	4.584	0	10	BJAE	
CCCC1CCC(C=C2CCC(CN)CC2)CC1	2072820975	YOTMHTRJRLTXQK-UHFFFAOYSA-N	249.442	4.668	0	10	BJAE	
CCCCC[C@@](N)(CC)c1ccccc1CCC	2073341042	OXMGJJZQSHNXHM-KRWDZBQOSA-N	247.426	4.783	0	10	BJAE	
CCCC[C@]1(C[C@H]2CCCC3(CC3)C2)CCCN1	2073791523	RLWOQMBPFDJJFA-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
C[C@@H](C[C@@H]1CCNC2(CCCCC2)C1)C1CCC1	2074138571	KZKZKCSUTJBTLD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H]2C[C@H](C)c3ccccc3N2)CC1	2074637291	UFRGFOXLYZPYJX-UONOGXRCSA-N	243.394	4.945	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)N([C@H]2C=CCCCCC2)C1	2074798418	AMWMBXCWYTWITB-ZACQAIPSSA-N	249.442	4.632	0	10	BJAE	
C[C@H](c1ccccc1)N(C)[C@@H]1C=CCCCCC1	2074801019	ANQOHCFGBNJEFK-NVXWUHKLSA-N	243.394	4.568	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CCC[C@H]3C[C@@H]32)c1	2077263767	CYNHIHTTWSQGDX-JLJPHGGASA-N	241.378	4.555	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@H]1C[C@@H]1C1CCCCC1	2079484325	HSFPJMDKDPNGAA-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC[C@H]1C[C@H]1C1CCCC1)CC1CCCC1	2079660278	LDASAGHZQRDBKQ-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1C[C@H]1COc1ccc(C(C)(C)C)cc1	2079812867	JJZLNKRAPLPDEQ-XJKSGUPXSA-N	246.394	4.655	0	10	BJAE	
CCC1(CC)CC(N)(C[C@H]2C[C@H]2C2CCCC2)C1	2079831086	ICLKAVXDPMMYIB-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CC1)C[C@@H]1C[C@H]1C1CCCCCC1	2079850328	FAVLPTFZUCPZTJ-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@@H]1C[C@H]1C1CCCC1	2079865288	OUVNTXDKAWDPLH-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@](C)(O)CCC(C)(C)CC	2081214739	CLSZWNWNFSGYLP-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CCCCC1CC1	2211109660	YHHULQJUDOSLJI-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CC)C(CC)CC	2215266823	SKFTWWOQTXMGEF-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@@]1(C)CC=C(C)CC1	2215816434	XSSLGKOJKATEOI-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
O=C1CCCC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218378516	SHBAPPCXHGIGJS-QXSJWSMHSA-N	248.410	4.742	0	10	BJAE	
C(CCC[C@@H]1CCNC2(CCC2)C1)CCC1CC1	2218729158	XRSYWCIYZLGZJH-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CCC2(CCC2)C1	2218730029	BZLPBXWVRXBGJS-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
O[C@@H](CCCCC1CC1)c1ccc(C2CC2)cc1	2220028360	RILZJCZMRVFBPN-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2CNC3(CCCCC3)C2)C1	2221037894	XSIAEVNWGIHMOA-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2CC=C(C)CC2)CC1	2221664608	WQNBKAHTIKVRAO-BRWVUGGUSA-N	249.442	4.824	0	10	BJAE	
CC1CC(C)(C[C@H](O)C2(C)CCCCCC2)C1	2246520702	VPDWAKSXRFGKHX-SLTAFYQDSA-N	238.415	4.534	0	10	BJAE	
CC[C@](O)(CCCC[C@H]1C[C@@H]1C)CCC(C)C	2247125730	AOWULMYNUIPCBA-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1(CN)CCCCCC1	2247159719	OVXYTNHRRMTBEY-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C[C@H]1CCC12CCC2	2247414975	HQXSIEBPFYBMPO-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](O)CC[C@H]1CCCC12CC2	2247646938	CPBSKLHUCKUMNK-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(C)CCC[C@]1(C)O	2248804810	AYMRSGADGPCRMA-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCC(=O)c1ccc(SCCC2CCC2)cc1	2249292233	MVCGBHVDSQODLO-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
Cc1cc(N[C@@H](C)C2(C)CCC2)cc(C)c1C	2249488483	XFXHNSIIQRHRRS-AWEZNQCLSA-N	231.383	4.602	0	10	BJAE	
Cc1cc(N[C@@H](C)CC(C)(C)C)cc(C)c1C	2249491694	VLWXPLOVLWQLPM-ZDUSSCGKSA-N	233.399	4.848	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1csc2ccccc12	2250354005	ZPLKPAVCWMFVGV-XHDPSFHLSA-N	247.407	4.727	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC1CC2(CCCC2)C1	2250362495	VIDJGCRNWRCUNM-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC1=C[C@H](N)[C@@H](CC[C@H](C)CCCC(C)C)C1	2250480675	HGZJGIVKWQKHOD-KBMXLJTQSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@]12CCCC[C@H]1CC2	2251188106	QBZJYAVXRDFBDY-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CC1CC(C)(C[C@H](N)C2(C)CCC3(CC3)CC2)C1	2253692126	WHDRZEYMZUZDJP-SLTAFYQDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CC1CC1)NCC[C@H]1CCCCC12CC2	2253883202	HNDTZYFQDVWUSD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(N)CCC(CC[C@@H]2CCCCC23CC3)CC1	2253886025	HWAVQFYTTCWOFH-PCKAHOCUSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2(CN)CCC=CCC2)C1	2253938643	MWTCHNKCNIPPJH-JKSUJKDBSA-N	249.442	4.668	0	10	BJAE	
CC[C@](N)(CC1CC2(CCCC2)C1)[C@@H]1CC1(C)C	2254114555	UJFOOTCIQLXJSZ-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCn1ccc2ccc(F)cc21	2254522548	PDUHOAXPZUMCKT-OCCSQVGLSA-N	245.341	4.607	0	10	BJAE	
NC1(C[C@H]2CCC23CCC3)CCCCCCCC1	2255012357	IXXIIOWDLDXFLR-OAHLLOKOSA-N	249.442	4.789	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC[C@H]1CCCC12CC2	2255230671	YNJPMVSVNVAACU-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCCN(CC[C@@H]1CCCC12CC2)C1CCCC1	2255235838	UBCPNTPWOHIKRV-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
N[C@H](CC[C@@H]1CCCC12CC2)CC1=CCCCC1	2255328903	KKOPEQWMYURDNC-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
C[C@@H](Nc1cccc(C(C)(C)C)c1)C1(C)CCC1	2257885295	GZCUYYBFIYSDDI-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN1CC=CC12CCC2	2259679113	QUTFEFGENRHBJX-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@]12CCC[C@H]1CC2	2260486212	BQDZVFLJNZFWGY-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@@H]1CNc1cccc(C2CCCC2)c1	2260727647	RHXZUMAHIWXWNG-CZUORRHYSA-N	243.394	4.802	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@@H]1CCCC[C@@]1(C)O	2298475387	NDQFEBWEQRAEGH-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC1CCC1)C(C)(C)CC	2298852201	QQLGUDVVENUVGP-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CN(CC(C)C)CC1CCCCCC1	2301139157	DKBFEIFDOMTINQ-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCN[C@@H]1CC[C@@](C)(CC2CCCCCC2)C1	2301141599	AWJZGNXTWQDCPQ-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CC2CCCCCC2)C[C@H]1C	2301143653	WBQPVIMGFSWMRK-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CCCCC1CC1)CCC1=CCCCC1	2301903561	VJFGSYSMDLXOPA-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(N)C[C@@H]1CCC=CCCC1	2301937323	DBKKOJHNFQJZQZ-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CCN(C1CCCCCC1)[C@@H](C)[C@H](C)C(C)C	2301968297	PXNKZWPZXRQPLO-CABCVRRESA-N	239.447	4.712	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CCC[C@H]1C[C@@H]1C	2302614392	ATQXYNWOIKXHRC-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@H]1CCC(C)(C)C1	2302902478	PXTPTHJWWSEXPS-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
CCC(C)(C)CN(C)CC[C@@H]1CCC(C)(C)C1	2304394337	PVYZVTHONRGCDA-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H]1CCCC[C@H]1C	2307901215	XVNALJYRTZQSEC-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C12CCC(CC1)CC2	2307908843	ROOBLSSKPBRRQS-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CC[C@@H]2CC[C@@H]21	2308172309	YNTZTSOFAWACCR-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2C[C@@H]3CC[C@H]2C3)cc1	2308574331	LZMKXLHGERIFRU-WWGRRREGSA-N	243.394	4.585	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@H]1CCC[C@@H]1C[C@H]1C	2310426490	DJAQSZMYGHJTEJ-BARDWOONSA-N	243.394	4.658	0	10	BJAE	
CC1(C)CCC[C@@](N)(C(CC2CC2)CC2CC2)C1	2313685543	AIAKLPWFPVWPMS-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2316502130	JMCFBXHMRWXLDJ-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](NC1[C@@H](C)C[C@@H]1C)c1ccccc1	2316951876	FXUZYXLEHREYTL-DZKIICNBSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@@H](C)[C@H](C)C(C)C)N2	2317949940	DJTMQNNLZCTBDJ-IJEWVQPXSA-N	245.410	4.650	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1[C@H](N)CCCC1=CCCCC1	2318596519	AHSAWTUGAGSMOA-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CCCC(C)(C)CC2)CC1	2320237816	OBTHUXCTCXETOE-HZPDHXFCSA-N	249.442	4.824	0	10	BJAE	
CN[C@@H]1CCCC[C@H](C[C@@H]2CCC(C)=C(C)C2)C1	2320334345	OFSDDNGIXHJRJJ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)C[C@@H]2C[C@H]2CC)cc1	2320385156	MVTIQNQZLOEZJP-RMHZUWNSSA-N	245.410	4.636	0	10	BJAE	
CC1=C(C)C[C@H](COc2cccc(C)c2F)CC1	2320387685	JBLNTRXDKJHQTB-CQSZACIVSA-N	248.341	4.649	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CC(=O)CC(C)(C)C2)CC1	2320420445	PROYZSVGOXVZGY-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)C(C)(C)C2CCC2)CC1	2320422850	JEEFXCHZHAUBNR-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc(C(=O)CCCC2(C)CC2)c1	2320570822	BNDUTTMUHOGYGV-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H]([C@@H](CC2CC2)C2CC2)C1	2320691528	FMZKKRWLKBFAHH-UHOFOFEASA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H](CC2CC2)C2CC2)C1	2320818469	GKGFAPMLXGPPCL-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)cc(NC[C@H]2CCC[C@H](C)C2)c1	2321084961	MJVKHMMHIAHXQX-JSGCOSHPSA-N	249.373	4.626	0	10	BJAE	
C[C@@H]1NCCC(=C2CCC(C(C)(C)C)CC2)[C@@H]1C	2321305005	NNIVTEJYHYTQPZ-NEJHNUGDSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](CC[C@@H]2CCC(C)(C)C2)CC1	2321650139	IXAGPMXQEINOKS-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cccc(Cl)c2)cc1	20549426	MOZWFPGBRDDZBR-LBPRGKRZSA-N	245.753	4.822	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cc(C)ccc2C)cc1	21507357	WSQZIUZLXINXDH-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H](c1ccccc1)C(C)(C)C	36994509	BDDKWTFXNWHWEB-DZKIICNBSA-N	247.426	4.798	0	10	BJAE	
CC(C)C[C@@H](C)N[C@@H]1CCCC[C@@H]1C(C)(C)C	37118163	JZPVFSABQIUKGT-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(C(=O)C[C@H](C)CC(C)(C)C)cc1C	37363131	BSOFTMQHTZREOM-LBPRGKRZSA-N	246.394	4.949	0	10	BJAE	
CCCCCCc1cccc2ccccc12	59682105	XRJWGFXUIIXRNM-UHFFFAOYSA-N	212.336	4.963	0	10	BJAE	
O=C(CC1CCCCC1)c1cc2ccccc2o1	62797174	JQYYPRDWJXFFIH-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCN[C@@H](c1cccc2ccccc12)[C@@H](C)CC	70943405	NBZBINNRWYTOFP-SUMWQHHRSA-N	241.378	4.537	0	10	BJAE	
Cc1ccc2nc(C3CCCCC3)sc2c1	75841338	OEDJDPZIVONWRN-UHFFFAOYSA-N	231.364	4.652	0	10	BJAE	
CCC(CC)[C@@H](N)c1ccc(C)c2ccccc12	79904571	SLCJICURRORBQP-QGZVFWFLSA-N	241.378	4.584	0	10	BJAE	
CCCC[C@]1(O)CCC[C@@H](C(C)(C)C)CC1	83520781	ZZGDIEBMLQRYSD-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCC(C)(C)C)C1	83783987	MGPXNABUWSOPFB-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)C[C@@]1(O)CCCC[C@@H]1c1ccccc1	87164428	CNBAJRUZILXHJF-UAGQMJEPSA-N	246.394	4.512	0	10	BJAE	
C[C@@H]1CCC2=C1C[C@H]1CC[C@@]2(C)C1(C)C	100780738	CSKINCSXMLCMAR-UEKVPHQBSA-N	204.357	4.559	0	10	BJAE	endogenous,in-man
CCC(CC)[C@H](C)N[C@@H](C)c1cc(C)ccc1C	111666360	ABZPSHOIVQBUBL-GJZGRUSLSA-N	247.426	4.779	0	10	BJAE	
CCCN[C@H]1C[C@H](C)c2ccc(C(C)(C)C)cc21	113613748	HRVHRJCFONRTHL-LRDDRELGSA-N	245.410	4.532	0	10	BJAE	
CCCCCC[C@@H](O)c1cc2cc(C)ccc2o1	124179153	RXYATRSYMRJTPT-CQSZACIVSA-N	246.350	4.745	0	10	BJAE	
Cc1ccc2c(ccn2C/C=C/c2ccccc2)c1	129573442	QQYGIFHLPKZLAH-VMPITWQZSA-N	247.341	4.663	0	10	BJAE	
CCCCC[C@H](CC1CCCCCC1)NCC	159633859	BYYWWDSDSUTLLO-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC[C@H]1CC	164022815	HRHQRXRNGMQYRH-HIFRSBDPSA-N	231.383	4.548	0	10	BJAE	
CC(C)CCC[C@H]1CCCc2ccccc2C1=O	165472094	TZMBDBKDURUKPD-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@@H]2CC[C@H](C)C2)c1	165549246	ROTSUMCLVLUNPJ-XJKSGUPXSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC2CCCC2)C1	166320444	ZVVAABMUHVXDKM-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](NCC)c1ccccc1C1CCC1	169207457	GZIQKMHRFPTVIG-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
C[C@H]1CCC[C@@H](c2nc3ccc(Cl)cc3[nH]2)C1	206888254	VNRMUOMIECBXBJ-VHSXEESVSA-N	248.757	4.510	0	10	BJAE	
CCCC[C@H](CCC)n1ccc2c1CCCC2=O	225870822	LPMWPFNOVCLBLV-ZDUSSCGKSA-N	247.382	4.539	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCC[C@@H](CC)CC1	226511655	ROGVCQVPAMZASM-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](c1ccsc1C)[C@H](C)CCC	227895835	DISYBASHWKJMMB-RISCZKNCSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)c1ccsc1C	227912821	SQCFYOCOHKOJDX-BXUZGUMPSA-N	239.428	4.533	0	10	BJAE	
Cc1cc(Cl)cc([C@H](O)CCC(C)(C)C)c1	229340988	ZQKGBQUSVLJLBC-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CC(C)CCCC(=O)c1ccc(C(C)(C)C)cc1	229450573	ISKAEMRJNIXWIS-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)C1CCCCCCC1	233289811	USJFEYFUQRZRGK-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2cccc3c2NCCC3)C1	233956047	YVUUQCZZCOUUIA-UKRRQHHQSA-N	243.394	4.729	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCC(C)(C)C[C@H]1C	250780163	RTWHVAJIFNTMMJ-IPYPFGDCSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC(C)(C)CC[C@H]1N	251382794	RYMBDJKSZYGHGY-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1CCCCC1(C)C	252116705	IQXYJIYHFKAEMF-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
N#Cc1ccc2c(F)cccc2c1C1CCCC1	260679728	SMOHXVDUBUWLDC-UHFFFAOYSA-N	239.293	4.508	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)CC1=CCCCC1	300844116	DORUSVSQBQSVOM-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CSc1ccc(NCCCC(C)(C)C)cc1	300844135	KIWCLMALTGXYKD-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CNC[C@@H](CCCC(C)(C)C)c1ccccc1C	302304088	NMKBWMAUWPQBIM-OAHLLOKOSA-N	247.426	4.514	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@H](C)CC(C)C	302438978	WFHYHLOUOHEGPK-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCc1cc2cc(Cl)cc(CC)c2s1	306574816	ITFZZBOQWTVJJV-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
Cc1cc(Cl)c2cc(C(F)F)sc2c1	307113150	QYMDATWJTZTGCP-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1NCC(C)(C)C1=CCCC1	308752256	CIXJSGMWFLNXQK-YCPHGPKFSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)[C@H](C)NC[C@@H](C)C1CCCCC1	310203042	BEXMZKXMBCJSPN-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CC(=O)C(C(C)C)C(C)C)CC1	310243059	MCQBOROKZLSMQO-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)CC1CCC(C)CC1	310377398	GGRNJVYWNGKRGM-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(CC)C[C@@H](C)C1CCCCC1	310392877	GQWBYVQOGVFJJO-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC(C)CC(=O)CC[C@@H](C)C1CCCCC1	310487933	NLECCYWAQIRCLN-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)(C)C)cc1)[C@H]1C[C@H]1C	322151339	IKKCLXLVSQRBAT-KCXAZCMYSA-N	245.410	4.831	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCC/C=C/c1ccccc1	323790626	DKRABCMGBLKELB-LSSCYMHBSA-N	245.410	4.504	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C1CC1)C(C)(C)C	324301916	UOAQKDITDYUYOM-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
CCN[C@H](C)c1ccc(C2=CC[C@@H](C)CC2)cc1	384987747	PDSYNAXALTUMMB-ZIAGYGMSSA-N	243.394	4.561	0	10	BJAE	
Fc1ccc2c(ccn2[C@@H]2C=CCCCCC2)c1	385068385	SVUUSDKUUTVTNO-OAHLLOKOSA-N	243.325	4.842	0	10	BJAE	
Cc1cc([C@@H](N)CC2CCC(C)(C)CC2)c(C)o1	385307190	ZHPWMSKVDSGDBK-HNNXBMFYSA-N	249.398	4.503	0	10	BJAE	
CCCCC[C@H](C)NCCC1(C)CCCC1	390606779	YAJVOJPHDTVIJD-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](C)CC[C@H]1CCc2ccccc2N1	394081178	QFGGVRPWYKAXOH-HIFRSBDPSA-N	231.383	4.630	0	10	BJAE	
CC1(C)CC[C@H](NCCCC2CCCCC2)C1	395278653	ZNAMHDDWRUVWOU-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C1CCC(CN)(C[C@@H]2CC=CCC2)CC1	402353227	SMPDSGQIAJPYST-KLAILNCOSA-N	249.442	4.524	0	10	BJAE	
CC(C)(CC[C@@H](O)CC1CCCCC1)C1CC1	406051004	HERBCWWYINHMFR-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
FCC[C@H](Sc1ccccc1)c1ccccc1	606303910	JTSCZZLNDKDONP-HNNXBMFYSA-N	246.350	4.880	0	10	BJAE	
CCCC1(CNc2cccc(C3CCC3)c2)CC1	687547203	RZQGDQCMALDQPM-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
O[C@@H](CCCC1CCC1)CC1CCCCCC1	688413868	CMQWSNQZUGUHTB-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)C1CCCCC1	688941308	YVRAQTSCTJASMV-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)C1(C(C)C)CC1	688964387	UOFULVDQTDATOT-MRXNPFEDSA-N	245.410	4.507	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1CCCC1(C)C	689757783	XHVJZZSZFTVOSR-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCCCC[C@@H]1CC	691106735	WHHVMFCMPROCQB-VGWMRTNUSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCC(C)(C)CC)C1	696802166	JJWUVILBDALPHP-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)CCC1CCCCC1	699754692	GTJOWSQQECTHHE-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@@]1(C)C[C@H]1C	704390915	VAWRIJLETPNZJA-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@H]1CCCC[C@H]1C	705006989	SWMLTJPSTDTWCG-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@H]2CCC[C@H]21	707841097	VLHNVOVEBZUPQD-ZJIFWQFVSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H](C)CC(C)C	709179547	WEHQHVYJRNZBTJ-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1C[C@H]2CCCC[C@@H]21	712393065	WBJLGVLGQCZBBW-OSAQELSMSA-N	249.785	4.639	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C[C@@H]3CCCC[C@H]32)c1	712449545	FYEWDRKFFAHVEU-USXIJHARSA-N	243.394	4.801	0	10	BJAE	
C=C/C=C\CC[C@]1(CNCCC)CC[C@H](CC)C1	713715899	FITZUOURYDYFHX-IIAQQRLMSA-N	249.442	4.705	0	10	BJAE	
CCCN[C@@H]1c2cc(C)ccc2[C@H](CC)[C@@H]1CC	714356854	POLUQIBPZJTIGT-KEYYUXOJSA-N	245.410	4.569	0	10	BJAE	
CCC1([C@H](N)c2ccc(C3CC3)s2)CCCC1	716530574	DZDIPLKJGJGREO-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
CC(C)=C(C)CCNc1cccc(C(F)F)c1	718552600	VQJGDFJWTTWMRA-UHFFFAOYSA-N	239.309	4.783	0	10	BJAE	
CSCc1cccc(CCC(C)=C(C)C)c1	718649210	ZQYDLDWEMZEYTL-UHFFFAOYSA-N	234.408	4.839	0	10	BJAE	
CC[C@@](C)(CCC(C)=C(C)C)CNCC(C)C	718789545	YCTYKMZYNDAKRI-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](CC)CC1CCCCC1	720941246	VOQQVWWHLJQFTC-ZBFHGGJFSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](C[C@@H]1C[C@H]1CC)NCC	723071512	SBFMMHWHNXAORZ-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(SC[C@H]2CCCC[C@@H]2C)c1	1165583790	DFTUCGKORDZWPM-UONOGXRCSA-N	234.408	4.913	0	10	BJAE	
CC1(C)CCCC[C@H]1NC[C@H]1CCC=CCCC1	1474745776	IKIVZUKXTUHRLN-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)SC[C@@H]1CCCC[C@@H]1C	1652640497	DGSJYVPZPRZGBG-RYUDHWBXSA-N	214.418	4.735	0	10	BJAE	
C1CCC(CCCN2CC3(CCCCC3)C2)CC1	1659403644	VLWKVHCRTKGBCU-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCC[C@@H](C=C(C)C[C@H]1CCCCN1)CC	1881479072	UGIXZNDJKCWWJE-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC=CCCCCc1ccccc1Cl	1885358791	MOEUKQSSECGVMW-UHFFFAOYSA-N	208.732	4.629	0	10	BJAE	
CCC(C)=CCCc1nc2ccccc2s1	1900899066	WGCVSSPXBYHTMV-UHFFFAOYSA-N	231.364	4.585	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CCC[C@H]1C	1906207510	KEVMQTFGIMSDGZ-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@]1(O)CCCCCC1(C)C	1908556744	SCXIJSPGXJPNOK-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CC[C@@H]2C[C@@H]2C1	1909758015	NVRVKMKNDNTCTO-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@@]1(CNC(C)C)CCCC[C@@H]1C	1911904119	KVJNKAPYQHXAIZ-IRXDYDNUSA-N	249.442	4.703	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H]2CCCC23CCC3)C1	1921492864	XKIOMMVKPYUZFH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1NC[C@H]1CCCC12CCC2	1921606041	QRVJFBUIQOVLMS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Fc1ccc(CC[C@@H]2C=CCCCC2)cc1	1925815412	WEBVYQATRLHWIB-CYBMUJFWSA-N	218.315	4.505	0	10	BJAE	
Nc1ccc(-c2sccc2C2CC2)cc1Cl	1938183812	LIBKOMMTIHNYDW-UHFFFAOYSA-N	249.766	4.528	0	10	BJAE	
CC[C@@H](CC(=O)c1cc(C)cs1)C(C)(C)C	1939452421	OHMRZMBIQDPZFD-NSHDSACASA-N	238.396	4.702	0	10	BJAE	
CCC(CC)C[C@H](N)c1ccccc1C(C)C	1940615646	DRLUSLBNZPBGKZ-INIZCTEOSA-N	233.399	4.636	0	10	BJAE	
CC(C)(C)CCC(=O)CC[C@@H]1CCCC1(F)F	1940729138	GEOIKTBSRCVPOL-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](N)CC1(C)CCCC1	1941266378	DYGRLQITKBOPPH-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2C[C@@H]3CCCC[C@H]32)n1	1941709299	LIJHKPMKCTWEIQ-WUHRBBMRSA-N	249.423	4.950	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C(CC)CC	1941827374	XVJPMQYAQGUYMF-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@@H](C)CCC(C)C)CC1	1942656650	DLFAWCSMBZCWRX-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CC[C@H](C)CCC(C)C)C(C)(C)C	1942658331	GVDZVQKQIWAGGR-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944206244	XDIOWCJRPUBUKL-FICVDOATSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@]12CCCC[C@@H]1CCC2	1944237716	DXBLCDGQYALKCD-CZUORRHYSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@]1(CNC2CC2)CCCC1(C)C	1944476395	XBTBVJXWALVANX-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CCCC(C)C)C(C)(C)C1CCCC1	1944639269	CUCGSUPFKFNNTD-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCNCC(CC)(CC)C[C@@H]1CCC[C@H]1C	1944836002	HHVMECJSRQVCFA-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCC[C@H]1C)C(C)(C)C	1944849957	QEBZRAMQIUKUHQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](CN)CC[C@@H](C)C1CCCCC1	1945764063	WTVPEIKMAVXLTG-HUUCEWRRSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)CCC1(N)CC(C2CCCC2)C1	1945946814	DPKKGTMPQYSWMF-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC(C)(C)CC(C)C	1946970756	GRFFLKWCACRHGX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](NC1CCCCCCCCC1)C(C)(F)F	1947879191	OLKCHRROICXJMH-LBPRGKRZSA-N	247.373	4.513	0	10	BJAE	
CCC1(C)CC([C@@H](N)CCC2CCCCC2)C1	1948407238	LZZGHDCUXKFVSA-PCKAHOCUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C1CC(C)(CC)C1)[C@@H](C)CCC	1948412647	GQWMQIZRNMMUDB-UIDBIOKJSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC([C@H](N)CCCC(C)(C)C)C[C@@H](C)C1	1948978936	AAFBDMMEXRZMBD-KCQAQPDRSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)CC1CC2(CCC2)C1	1949732006	BCVLNZXVGFOEEY-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC1CC2(CCC2)C1	1949850359	LJXUXKAAILYZSJ-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1CCC2(CC2)C1	1950286044	FIGWUJYKMOIZIX-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCNC[C@]1(CC(C)(C)C)CCC[C@H](C)CC1	1950925220	RHMDZGMMOGQCRZ-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)N(C)Cc1ccccc1C(C)(C)C	1964555928	USFQVXYRPUVKKU-AWEZNQCLSA-N	247.426	4.605	0	10	BJAE	
Cc1cccc(C)c1NC[C@H]1CCC(C)(C)C1	1968352510	YDPPEDKLBWHOFC-AWEZNQCLSA-N	231.383	4.542	0	10	BJAE	
CCCCC1CC(Nc2ccccc2CC)C1	1968359784	GTVAYWAMRSYTJP-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CCCC1CCC([C@@H](C)NCC(C)(C)C)CC1	1968633839	LMMGKTUJBXXHJH-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](NC2(C3CCCCC3)CC2)C[C@H]1C	1970594542	FSJYCDCBUHZIKY-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CC1CC(C)(CN2CCCCC23CCCCC3)C1	1972912782	NXEHCBXZICEPKJ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](NCC(C)(CC)CC)C1CCCCC1	1973316281	SDVGHUUNUJJOJY-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](N)(CCC(C)(C)C)C1CCCCC1	1975998279	MRENHEFCQDFIKO-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)NC1CCCCCCCC1	1980337717	WQMDSRKELXHWPL-AWEZNQCLSA-N	225.420	4.658	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCCCCC[C@H]1O	1980340091	SNJFTAHJOQZPMM-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@H](O)c1ccc(Cl)cc1	1980681856	PVURCXBTQDVXBT-AWEZNQCLSA-N	240.774	4.590	0	10	BJAE	
CC=CCCCC(=O)c1cc(C(F)F)cs1	1984570911	NBKJFDBADZRUGF-UHFFFAOYSA-N	244.306	4.615	0	10	BJAE	
CC[C@H](CNc1cccc(Cl)c1F)C(C)C	1988764367	LBEMFEDOLBPASE-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CCCC[C@](C)(O)CC1(C(C)(C)C)CCC1	1989443536	WOBSAWCMZNUULM-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC(C)=C(F)COc1cccc2sccc12	1989657492	UPVOFSHBSXFCAH-UHFFFAOYSA-N	236.311	4.544	0	10	BJAE	
CC[C@H](C)Cc1nc(C2CCCCC2)cs1	1995495696	AOXXJWYDZDFFOQ-NSHDSACASA-N	237.412	4.779	0	10	BJAE	
CC1(C)CC[C@H]([C@@](C)(O)C2(C)CCCCC2)C1	1995986627	PIBHHPPBFRPPCR-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cccc2sccc12	1996610524	KAJIDNBJINWQFG-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CCCC[C@H](CC)CN[C@@]1(C)CCCC1(C)C	1997340621	HWILFRAVJJPYBY-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCC(C)C)C[C@H]1CCC[C@@H](C)C1	2000251403	CEKIYISCPAJPRG-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NCC1(C)CC=CC1)c1cccs1	2001699630	PMUNKHLHNXPYEH-ZDUSSCGKSA-N	249.423	4.535	0	10	BJAE	
CCCC(CCC)[C@@H](O)C1CC(C(C)(C)C)C1	2002298670	CHZZXSLWTYJITQ-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H]([C@H]1CC[C@H](C)CC1)C(C)(CC)CC	2003066380	BBCOFBMNFWZLAM-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H](N(C)C2CCCCCCCC2)C1	2003166743	JECKDPGQEKKBHR-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CC(C)CCCC(=O)[C@H]1CCCCC(F)(F)C1	2003176004	OMCQSLMPTSFCBB-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC1CCC2(CC1)CC2	2003209547	XLVMTTLQHPRKMP-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CC[C@@]1(O)CCC[C@H](C(C)(C)C)CC1	2004226902	JUTHGEIRNLINKZ-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
C=CC=CCC[C@@H](N)C1(C)CCCCCCC1	2004922089	DAEOIEWKMONIBH-OAHLLOKOSA-N	235.415	4.587	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC[C@H](C)CC[C@@H]1NC	2009421961	YOYIOCQPWDVURB-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@@H]1CCCCC1(C)C	2009636660	YRBWZJIKRLXGNG-ICWYTKJFSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010705070	CXWVHZWHQPWUAC-KGLIPLIRSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](C)C[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010718533	BDATYEYRFCJKAW-CFVMTHIKSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@](C)(O)C1=CC[C@H](C(C)(C)C)CC1	2010724660	COVLFCLCFLXDPW-BBRMVZONSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCCCC12CC2	2011272584	STMGXOQNNYXWGP-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](C)C1(C)CCCC1	2014337280	COGBKMQJNUGBSV-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H](O)CC2=CCCCC2)CCC1	2015646113	WWYCAZSDHSOPOT-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@@]1(C)C[C@@H]1C	2016468164	PBPBLXQGHWOKOL-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC(=O)C(C)(C)CCF)C1CCCCC1	2016766210	PEELVNRTVJFXHD-GFCCVEGCSA-N	242.378	4.548	0	10	BJAE	
CC(C)C1(C[C@H](N)C2(C)CCCCC2)CCC1	2017142320	HAOXOTAGMWJPII-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(CC)(CC)CN)CC1	2017729548	XTPWUTKVDLIWAD-SHTZXODSSA-N	239.447	4.748	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCCC12CC2	2018130312	NXIYQLFBCMGUGK-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCC[C@H](CC)C2)CC1	2018925585	SFPLJAAWLZTRGB-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@@H](NCC)C(C)(CC)CC)CC1	2018998476	GBYIHRYWPNCOAI-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)C1(C)CCCCC1	2019121644	LOJFKVKKQVGXMQ-OAHLLOKOSA-N	235.415	4.530	0	10	BJAE	
CC1([C@](C)(O)CCC2=CCCCC2)CCCC1	2019770057	SUXKGHMFUZDCTF-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@H](CC(C)C)C(C)C	2020975032	WYAVAILROVNBCY-HZPDHXFCSA-N	239.447	4.639	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1C[C@@H]1CCC	2022382225	FAVSUQDBXNDDPC-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C[C@H]1CC(C)(C)CC1=O)C1CCCCC1	2023636803	QRTJMQQQJVUYDF-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(Cl)c(-c2c(C)cccc2C)cc1N	2023938594	IHTSKOXYRXUFQQ-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC[C@@H](C)[C@@H]1NCCC	2024001567	SIBWDVLDAHBTGH-CLTGJZPWSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](N)CC1CC(C)(C)CC(C)(C)C1	2024090918	CVRNHUQEZVBIHK-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC1(C)CCCC1	2026145552	QEMNFZNLBIXAHM-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
Cc1cccc([C@@H](O)C(C)(C)C2CCCCC2)c1	2032276164	MEUKPUDZZRHYNU-MRXNPFEDSA-N	246.394	4.635	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@@H]1[C@H]2CCCC[C@H]21	2032837333	VCLPVGWMGYIJRM-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC1(CC2(N)CC(C3CCCCC3)C2)CCCC1	2033780375	BTGYJWRYQJUBIR-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCNC[C@]1(C[C@H]2C=CCC2)CCC[C@H](C)C1	2035586038	AHTBKNAYLPPTBI-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC1(CCCNC2C[C@@H]3CCCCC[C@H]3C2)CC1	2035854162	YRRQJVLWYBRZHR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](N[C@H]1CCCCC12CCC2)C1CCC1	2035886198	OQCQDWXLTPIYGA-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)NCC1([C@H]2CCC3(CCCC3)C2)CC1	2037700513	GMUHDLUHDZLIPL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(c2nc3c([nH]2)[C@@H](C)CC[C@@H]3C)CC1	2038007246	MRPJLQFJTCZKIQ-ZFQMDJOTSA-N	246.398	4.704	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@@H]1CCC[C@@H](C)CC1	2039363789	RZESBBXUGTXNFL-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCC2(CCCCC2)C1)C1CC1	2040767641	VEKQMDYVVSUOJL-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)c2ccccc2C)CC1	2041382712	IYSFNVOBSXHPMT-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@H]1C)C1(C)CC=CC1	2042022257	PEFFMUKAEJNNAN-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CCC([C@@]2(CN)CC=CCC2)CC1	2042028643	YSFRSARCJCKTFZ-DQPZFDDXSA-N	249.442	4.524	0	10	BJAE	
CC1(C[C@](C)(N)C2CC3(CCC3)C2)CCCCC1	2043549108	CYBNNRBJCWVAKD-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
O=C1C[C@H]2CC[C@@H](C2)[C@H]1C[C@H]1CCC=CCCC1	2045311042	PYELALYQIYUAFU-YHUYYLMFSA-N	246.394	4.518	0	10	BJAE	
CN(CC1CCC=CCC1)[C@@H]1CCCCC1(C)C	2046392065	RKLNSNVTTXQNBR-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
CC1CCC(C(=O)C[C@@H]2CC23CCCCC3)CC1	2047051657	HCNQNYKYIFZJKF-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CCC12CCC2	2047929897	UKNJNLJVYGZJAE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@](N)(C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2048442048	BEADXRFKMVLYNM-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC([C@@]2(N)CCCCC23CCC3)C1	2048620346	BCTVMBITTDYCGI-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@H]1CCCC2(CC2)C1	2049846347	RWSZKLUHHYULRU-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H](N)c2ccccc2C)C1	2050461588	XEGGNMZRANTENF-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1CCCC12CCC2	2051405625	FDLSAIJSCSLCBW-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)c2cccc(C)c2)CCC1	2055543172	YBTRETHSVFBVPK-NVXWUHKLSA-N	243.394	4.535	0	10	BJAE	
CCC[C@@H](Nc1ccc(CF)cc1)[C@@H]1CC1(C)C	2055669625	MUHNEHUPUUZTHY-LSDHHAIUSA-N	249.373	4.783	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H]2CCCC=C2C)CC1	2055670505	WYWMPWHNALAYTN-OTBWCIGPSA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCC1)C1(C)CCC(C)CC1	2056553133	OVZZMFJFLFCZGP-YZUHTNEWSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)C2CC3(CCC3)C2)CC1	2056554209	VPRSNCWGFNCMTB-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCN(C)[C@@H]1CCC2(CCCCC2)C1	2059205149	DSBYLQSRIZTTMD-QDLOVBKTSA-N	249.442	4.778	0	10	BJAE	
CC=CCCC[C@@H](N)c1ccc2ccccc2c1	2059206772	NKPPEDVOJRIZKB-QGZVFWFLSA-N	239.362	4.586	0	10	BJAE	
CCCN[C@@H](CCC)CCC1CC(=C2CCC2)C1	2061739451	NPOYSARZCGFOFG-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1C[C@H]1CCCC1(N)CC2(CCCCCC2)C1	2062642521	QGWOLUHMOHDZOV-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC(C)NCC(=CC1CCC2(CC1)CC2)C(C)C	2062825220	FHZGFQQISUIRRI-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CC2CC3(C2)CC(C)(C)C3)C1	2063209079	RYHYQVDZTRRWPK-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C(C(=O)CC23CCC(CC2)CC3)C1(C)C	2065279519	KVGCVORNKDTKII-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(NCC23CCC(CC2)CC3)ccc1F	2065299890	GVSURAIXWLDMDA-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068767572	HZBAQINBFVGOJP-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@@H]2CCC23CCC3)CC1	2072792553	BDHBRYGKUJZQNA-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2(C3CC3)CCCC2)CC1	2072872133	XYLMHLGYZPYJAC-HDJSIYSDSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@](N)(CC)Cc1cc(C)cc(C)c1	2073339163	DCMZHQQGJWXQLX-QGZVFWFLSA-N	247.426	4.534	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@@]23CCCC[C@@H]2C3)CCC1	2074021166	PEQLISYAZVGFJQ-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](NCC)C2(CC3CC3)CC2)CC1	2074653972	SZSWXVNNKQRWTE-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N(C)[C@@H](C)c1ccccc1	2074793807	AXRSNSJMIOEKMR-XIRDDKMYSA-N	245.410	4.504	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N(C)[C@@H]1C=CCCCCC1	2074811546	WDGGJWLZWRFNAJ-BBWFWOEESA-N	249.442	4.632	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2077195797	IURNITMCYFMVDL-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(NC[C@H]2C[C@](C)(F)C2)cc1	2077732983	HCUNFAKEABQHLM-KOMQPUFPSA-N	249.373	4.579	0	10	BJAE	
N[C@H](CCC1CCC1)[C@H]1C[C@H]1C1CCCCCC1	2079430316	CSSAXJYDNZZPSM-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](N)[C@@H]1C[C@H]1C1CCCCCC1	2079792441	ALEACHQSXAAHTB-GVDBMIGSSA-N	249.442	4.667	0	10	BJAE	
CC(C)=C(C)CN(C)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2081137584	QFKUGXRIMBEOMG-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CN([C@H]1C=CCC1)[C@@H]1CCCCC12CCCCC2	2081808598	IGXOSYHLBLGHKL-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2C[C@H]2C2CCC2)C1	2082981965	HSLLGDAFAXIXPF-VHDGCEQUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@H]2CCC23CCC3)C1	2082983752	VJATVNFZHNCHTM-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCCC[C@](N)(CC)CC1C2(CCC2)C12CCC2	2083565753	DNKSFAVPCYCASX-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1CCCNC12CCCC2	2083818172	SINYNANAWDXUJJ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1sc(C(=O)C(C)(C)C(C)C)c(C)c1C	2211701750	OFUACFHWPIZDHX-UHFFFAOYSA-N	238.396	4.538	0	10	BJAE	
O=Cc1cc(Cl)cc(C2=CCCCCC2)c1	2212689898	PLAVHIZGCFVTET-UHFFFAOYSA-N	234.726	4.500	0	10	BJAE	
CC=CCCCc1cccc(C(F)(F)F)c1C	2214852668	UKGFIUMWKHNJRL-UHFFFAOYSA-N	242.284	4.913	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CC1(C)CC(C)(C)C1	2215385446	IVSNOKFSLGJSBM-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCCCC(F)F	2216500683	QKGSKVBBZGDUJM-GFCCVEGCSA-N	248.357	4.843	0	10	BJAE	
CN[C@H]1CCC[C@@H]1CCCCCCCC1CC1	2216879377	IPCDCFLDUJIITH-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H](CCCCCCCC2CC2)CCN1	2216901985	XOPJEAIMJPHJTK-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)C1(CN[C@H](C)CC)CC(CC)C1	2217154759	WURRUCYEINNZHN-WXLSXGNJSA-N	239.447	4.617	0	10	BJAE	
C1=C[C@@H](Cc2ccc3occc3c2)CCCC1	2217488149	NDFZPVDGPWQUSY-CYBMUJFWSA-N	226.319	4.722	0	10	BJAE	
O=C(CC1CCCC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218331355	JVIRLJZYTVXWET-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CCCCC2CC2)cc1	2220028827	WIWSRLCADWBHIR-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@H]1CC[C@@H]1C	2220525313	WQBNKDOHIMJVTL-NXNVCVFFSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@H](O)CCCC[C@H]1C[C@@H]1C	2243047569	HWCJBPMMNRBVIJ-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H]1CCCCC1=O	2250473361	IQNWANNTZYDBJW-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@]12CCC[C@H]1CC2	2251103963	KISGYHOHYHDYDK-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(NC[C@@]23CCC[C@H]2CC3)cc1Cl	2251165080	AWQUVEDTLBQAEH-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
O=C(CC[C@@H]1CCCCC12CC2)[C@@H]1CC=CCC1	2253788714	CLRCXZMHBYVVMR-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
CC1CC(C)(CC(=O)C[C@H]2CCCCC23CC3)C1	2253834195	WZORSVZQXLMGOA-NPCAHTBFSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@@H](N)CC[C@H]1CCCCC12CC2	2253854762	NHVPDVJPNFZRCW-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNC23CCCC2CCC3)C1	2253943446	GEQJWDWUPHYEGO-JUVOFCAFSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC1CC2(CCCC2)C1	2254072158	MWDATFQSLZWICF-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CC2(CCCC2)C1)CC1CCCC1	2254112867	LOJMCUGNBUIMCL-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CCc1cc(F)ccc1NCCCC[C@H]1C[C@H]1C	2254520868	JKJVJYRERSWJAO-OCCSQVGLSA-N	249.373	4.626	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C1(CC(C)C)CC1	2255063877	OBRRFNTUFFTJHB-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CCCCN1CC[C@@H]1CCCC12CC2	2255231821	GFCJDRZFLHWYEW-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
O[C@@H](C[C@H]1CCCC12CC2)C1=CCCCCCC1	2255326306	DFLSIXWIZDVPMV-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CC12CCCCC2	2257246182	FAKVXUAJCQIJTG-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@@H]1C[C@H]1C1CC1	2257281174	HJYUXNUQVHWGAC-JWDQPFGJSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNCC[C@H]1CC=CCC1	2257318927	GHQDVJPNDGQYLQ-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
C1=CCCC(Nc2ccc(C3CCC3)cc2)CC1	2257939536	YBWUGZVRYTYTLI-UHFFFAOYSA-N	241.378	4.865	0	10	BJAE	
CCCC[C@H](CC)Oc1ccc(C(C)=O)cc1C	2258885424	QBNVSLMMUCIQOG-HNNXBMFYSA-N	248.366	4.545	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CCC[C@H]1CC1(C)C)C2	2259460821	SJGRLFOSKFUUNT-XJIRZWNVSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](c1ccccc1)C1CC1	2259478351	PTBIADDJVHINMN-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@]23CCC[C@@H]2CC3)CCC1	2260582485	JXKSHGIOGBRZSB-CJNGLKHVSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@]12CCC[C@@H]1CC2	2260607420	RSLCQVRNCWVLIF-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H]2CCNc3ccc(F)cc32)C1	2261340097	UNISMUZBYWESJR-BZPMIXESSA-N	247.357	4.551	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](C[C@H]2CC=CCC2)C1=O	2261437503	BHYNDWXYMOYVIE-UONOGXRCSA-N	248.410	4.764	0	10	BJAE	
CN[C@@H](CCC1CC(C)C1)C1=CCC(C)(C)CC1	2261488949	KSSJNYSBSPZIIJ-XUJLQICISA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@H](C)CC1CCC1	2298929957	FQVQCFOIHYTSIC-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CNc1cc(C2CC2)ccc1Cl	2300672629	YNKJXFUKLJSYRB-BMIGLBTASA-N	249.785	4.675	0	10	BJAE	
CCC(CC)CC[C@@H](C)[C@H](C)CNCC(C)C	2300700384	LIBSRWZRYSZSRM-HUUCEWRRSA-N	241.463	4.721	0	10	BJAE	
CCCCCCNc1cc(F)ccc1C(F)F	2300825632	BNVVDKZOGCBZQK-UHFFFAOYSA-N	245.288	4.756	0	10	BJAE	
CC(=CC[C@H](N)C1(C)CCC1)CCCC(C)C	2300876176	CWDIIUIKNGEJKT-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1N	2300909599	PSYWOJHLHPPFIA-RRFJBIMHSA-N	237.431	4.523	0	10	BJAE	
CC(=CC[C@@](C)(O)C1CCC1)CCCC(C)C	2300914395	QGVGYVQNOPLDER-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2301066856	UAYRVNHZEYDPAM-KKUMJFAQSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H]1CCC[C@@H](CC2CCCCCC2)C1	2301142107	GMXSZLZESVZHCY-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CCC1CCCCCC1)C1CCCC1	2301242334	RGZLJVXNRMSSII-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@H](C)[C@H](C)C(C)C	2301837160	QVQCIBZGPVTHCL-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CCCC1=CCCCC1	2302357382	XYTVAHJSEFXMGX-HOCLYGCPSA-N	237.431	4.811	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC[C@@H]1C[C@H]1CC	2303611681	JIZIMIPBUKKOCZ-ZJIFWQFVSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@](O)(CC)CC[C@@H]1CCC(C)(C)C1	2304351900	MLEGUFUTKZWCLI-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CC[C@H](CC[C@](C)(N)C2CCCC2)C1	2304437033	VJAYECATKMBNHH-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC(C)C)CC1(C)C	2307748020	VHJWZXKHKHRUTP-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1(C2CC2)CCCC1	2307817470	PPBYOZRYWRGPDR-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](N)c1cccc(C)c1	2307897509	BYGUWHCRGNMFRW-GDBMZVCRSA-N	233.399	4.601	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CC1CCCC1)NCC	2307905720	YWNSKDFFCBWBTR-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@](N)(C1CCCCCC1)C2	2308397209	MGDWEZKZCSBRLW-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCC[C@@H]3CC[C@H]23)CC1	2309518618	YDXSCOPEEPQOQS-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)C[C@@]23CCCC[C@@H]2C3)C1	2311161719	IXQONTORYLQIQX-BIVLZKPYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2)C1CCCC1	2312945465	BBYLIYFNYGAJSL-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)C(CC1CC1)CC1CC1	2313660974	UASLAQMGXVTFLC-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](C(CC2CC2)CC2CC2)C1	2313692981	SPVJJMLRKRJNAL-LRDDRELGSA-N	248.410	4.598	0	10	BJAE	
C[C@](F)(CC1CCCCCC1)c1cccc(N)c1	2316873507	NFNCHYREXSTQBL-INIZCTEOSA-N	249.373	4.814	0	10	BJAE	
c1ccc2c([C@H]3[C@H]4CCCCC[C@H]43)ccnc2c1	2317362212	RZPHSJGHDRUNQQ-XOIINTDNSA-N	237.346	4.529	0	10	BJAE	
CC[C@H]1CC=C([C@H](O)CCC2=CCCCC2)CC1	2317968478	GCKRRPCMLOSZHO-WMLDXEAASA-N	248.410	4.764	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CC1(C)CCC1	2317974756	QTWDRIHIGJXXMX-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C1=C(CCCNC2CC3(CCCC3)C2)CCCC1	2318530588	BXKWKWIMCJKCKM-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2318873160	AVHMCJNBAXLBHQ-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCCc1cccc([C@H](N)CCCCC2CC2)c1	2318888388	NAFIRLXMOZEMBL-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CC1=C(C)C[C@H](CC2(N)CCC(C)(C)CC2)CC1	2320393196	CQSYMHHWVKPHIM-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2Cc3ccccc3N2)CC1	2320411719	LFZZCIKAAJCZKR-ZBFHGGJFSA-N	241.378	4.550	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)C2(C(C)C)CCC2)CC1	2320413337	RZWRNDLBWOLYOD-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@]2(C)CC=CCC2)CC1	2320421544	WBQMPAXVRVTKRF-NVXWUHKLSA-N	246.394	4.829	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)CC2CCC2)c1F	2327780734	DRCCAUNCGWZQSZ-LBPRGKRZSA-N	249.373	4.940	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)c1ccc(CC)cc1	2328276448	WBMVWSOMWWWINB-WBVHZDCISA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](C)Nc1ccc(Cl)c(Cl)c1	20006011	UBPLQROJZIBXCZ-QMMMGPOBSA-N	232.154	4.594	0	10	BJAE	
CSc1cccc(NC2CCCCCC2)c1	20548756	RUMIBZHAHBDUQX-UHFFFAOYSA-N	235.396	4.543	0	10	BJAE	
CC(C)CCN[C@@H](C)c1ccc2ccccc2c1	21025564	VROGEWDKISAJNB-AWEZNQCLSA-N	241.378	4.537	0	10	BJAE	
CCC[C@H](N[C@H](C)CC)c1ccc(Cl)cc1	21041939	AJERIJYGHNCBEU-RISCZKNCSA-N	239.790	4.569	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccccc1F	21810161	IXWCUXWJSGNYJU-XEZPLFJOSA-N	249.373	4.698	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)[C@H](C)CC	36820039	FIBIBHRJNCDFIT-CZUORRHYSA-N	233.399	4.507	0	10	BJAE	
Cc1ccc([C@H](Nc2ccccc2)C2CC2)cc1	37186068	LGXRBRODHVBSHB-KRWDZBQOSA-N	237.346	4.558	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)CNC(C)(C)C	71126679	QSKKTQSRKMMYDN-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](NC[C@@H](C)C(C)C)c1ccccc1	81046516	DYZSBBGRFKEZLV-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCC[C@@H](C3CC3)C2)c1	81624398	ZVFRRWQNJAFXJT-CVEARBPZSA-N	243.394	4.684	0	10	BJAE	
CCCN[C@H](c1ccoc1)C1CCC(C)(C)CC1	87944049	DJRIDSPFIMCHBE-HNNXBMFYSA-N	249.398	4.537	0	10	BJAE	
CCCC(=O)c1cc2c(C)ccc(C(C)C)c2o1	88071867	WRHMHOXLFXQRRN-UHFFFAOYSA-N	244.334	4.847	0	10	BJAE	
CCN[C@H](CC)c1cc2cc(C(C)C)ccc2o1	88074713	GBTNAPKMHLGIFV-CQSZACIVSA-N	245.366	4.617	0	10	BJAE	
CC1(CNc2ccc3ccccc3c2)CCCC1	104447461	VZPUPBPWJCKATL-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
C/C=C\C[C@H](C)c1ccccc1Br	107495564	ZHZRNMYBZLYEQM-XOULXFPDSA-N	239.156	4.519	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1CC(CC)CC	126379373	NBSCHEAORVSAAI-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H](C)CCC(C)(C)C	128637758	OWLZJOXADDXWKV-ZBFHGGJFSA-N	247.426	4.800	0	10	BJAE	
CCCN[C@@H](c1csc(C)c1)C(C)(C)CC	129484841	HACMTDPFULZVFL-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCCC(CCC)[C@H](O)c1cc(C)sc1C	132974809	MOCOQBXLWROMKX-AWEZNQCLSA-N	240.412	4.615	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)C1CCC(C)CC1	167874700	WVYOKZJNPYDLJM-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@H](N)CCC2CCCC2)cc1C	168694599	RWQVLIJUICJQOV-QGZVFWFLSA-N	245.410	4.582	0	10	BJAE	
Cc1ccc(Sc2ccccc2)c(Cl)c1	196226158	RVROXIJOCYWQQV-UHFFFAOYSA-N	234.751	4.800	0	10	BJAE	
Cc1ccc(-c2ccc(O)cc2)c2ccccc12	199580966	DEUJLHHCFCULNI-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
O[C@H](CCC1CCCCC1)C1=CCCCCC1	203412794	ZBTYQUVYIOPFQI-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)CC1CCCCC1	203568825	VRLFRTMJXUODDV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC[C@@H](CC[C@@H](N)c2ccccc2)C[C@@H]1C	221310500	RDMDPRVUEXAJEB-QBYUYEEZSA-N	245.410	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCCCC2CCCC2)CC1	225035183	XCFWDTCZZVJQKG-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
C/C=C(/CCCC)c1cc2ccccc2[nH]1	225054554	HMGJEKNEONSHBJ-QCDXTXTGSA-N	213.324	4.761	0	10	BJAE	
Cc1cccc([C@@H](O)[C@@H]2CCCCC2(C)C)c1C	226915544	DYPXMKWESONQLR-JKSUJKDBSA-N	246.394	4.553	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](O)c2cc(C)ccc2C)C1	226983785	IXIRJNRFGGUPDP-YQQAZPJKSA-N	246.394	4.553	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H]1CC[C@@H](C)C1	227415278	OVKZOTDZJYZBPK-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc(Nc2ccnc(Cl)c2)cc1	227685225	RRJQJMBYMWRVDX-UHFFFAOYSA-N	246.741	4.602	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCC12CCCCC2	230178938	JQJOUGMJSBNRFN-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
Cc1cc(Cl)c(NC2CC(C)C2)cc1Cl	232845939	SONOCBNQPOYWPF-UHFFFAOYSA-N	244.165	4.512	0	10	BJAE	
Cc1ccc2[nH]c(C(C)C)c(C(C)C)c2c1	238192881	YCUCNHODSCICCE-UHFFFAOYSA-N	215.340	4.723	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@H](C)CCCC	300913897	KGSCKWBDTXTENP-SOUVJXGZSA-N	228.420	4.780	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1cc(Cl)cs1	300980480	UCSGZJJICRDARO-ONGXEEELSA-N	246.803	4.507	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(C(C)C)CCCCCN1	302338428	LSJHRIISMKQWMI-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(C)c(CC)c1	305984790	IJVHGQFYEHXNPV-OAHLLOKOSA-N	233.399	4.938	0	10	BJAE	
CSc1cc(S)c2sc(Cl)cc2c1	306581326	OOXLYWBEDOSABO-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCOc1csc2cc(Cl)cc(Cl)c12	307450536	POQMCTKNMVVZAU-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCC1(CNc2cccc3c2CCCC3)CCC1	311140420	YOXZSOGPDSSSCR-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CCCCCCC1(CNC)CCC(C)(C)CC1	316914154	QTPVNTFLOXRQLW-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCNCC1(CC=C(C)C)CCC(CC)CC1	317135745	NXPRTGSQJCNGBZ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCNC[C@@]1(CC(CC)CC)CCCC[C@@H]1C	317498564	LFQIQTKOFJVAES-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@]1(CNC(C)C)CCCC[C@@H]1C	318012609	DUJQNJIQSYWHOF-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
C1CCCC(CNC2CC2)(CC2CCC2)CCC1	318394370	HJRRKWNAXBSCQA-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)C)cc1)[C@@H]1C[C@H]1C	321518765	NUJWWWCYQRBJLP-WQVCFCJDSA-N	231.383	4.657	0	10	BJAE	
CCCCC[C@H](N)C[C@@H](C)C1CCCCC1	381886697	PNNGVUPPSIFWNT-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCc1ccccc1[C@@H](N)CC1CCCCC1	384438649	FMMOMVJCQOMKLC-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H]1CCC[C@H](C)C1	384481924	YWFRJAHIIQZGJT-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)c1coc2ccccc12	384547707	ILUDSICSFBMGNQ-DOMZBBRYSA-N	245.366	4.505	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@@H](C)c1ccccc1	385198098	QMPOXSABCJBZSX-VYDXJSESSA-N	247.426	4.724	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1cccc(C(F)F)c1	386247322	QMGJOEHANXRIKD-SNVBAGLBSA-N	241.325	4.861	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@H](Nc2ccsc2Cl)C1	387230245	MYCYPPJLMPLBKW-KKZNHRDASA-N	243.803	4.638	0	10	BJAE	
Cc1cscc1NC1CCC(C(C)C)CC1	387260582	BPQSTLAUERXZFI-UHFFFAOYSA-N	237.412	4.683	0	10	BJAE	
CC[C@@H](N[C@H](C)C1CCCCC1)C1CCCC1	387550629	TXWMKWJLTSHXOB-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@H]1CC[C@H](CC)CC1	393293627	SMUWEJNKERYWGF-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC([C@H](N)CC2(C)CCCC2)CC1	393861739	LYPICQMJJAAHEO-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
Cc1c(S)ccc2scc(C(F)(F)F)c12	396306085	PQJILRNRZUOZLG-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@H](N[C@@H]1CC12CCCCC2)[C@@H]1CC1(C)C	397655195	MQIBCPOJGDFMTA-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc([C@H](O)[C@H](C)C(C)(C)C)cc1CC	399175452	POLXXXYNULQILX-BLLLJJGKSA-N	248.410	4.527	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)c1cccc(C)c1	400438968	ACWGKRPQWFBUMD-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCN[C@H](CC1=CCCC1)c1cc(C)c(C)s1	401081063	NTHLBVXEOOBEHJ-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
Cc1cccc(N[C@@H](C)CC2CCCCC2)c1F	689721746	VPVAGHCUOJQXHM-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCCCC[C@H]1C	691130777	ZLZITXVQFNACCD-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@@H]1CC2CCC1CC2	691662937	ZUPOUQIFAGADJQ-PFSRBDOWSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(CNC[C@@]23CCCC[C@H]2C3)CCC1	693542634	CBIPUDOZTSJPED-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCC12CCCCC2	694451377	MIHOJYOTVVEOGR-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](C(C)(CC)CC)C(C)(C)C(C)(C)C	701231929	RCEVPTZFAYDWBK-CYBMUJFWSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@]1(C)C[C@H]1C	704390912	VAWRIJLETPNZJA-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@H](C)C[C@H]1CCCCN1)CC(C)(C)C	709097382	QSBMZABWICQYHH-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C1CCCCC1)C12CCC(CC1)CC2	710320723	HOCKGJUDBADKPX-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC(C)(C)C(C)C)c1cccc(C)c1	713143440	VOGCYAQXBPTLNF-MRXNPFEDSA-N	247.426	4.718	0	10	BJAE	
CCCC1([C@H](CC(C)(C)C(C)C)NCC)CC1	713217408	PLAZDOSDTCEDJV-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CC[C@@H](NCC)C1CCCCCCC1	713745590	LCUIDYJXTVYYQX-FUTAKVPZSA-N	249.442	4.847	0	10	BJAE	
CC(C)=CCCc1cc(Cl)cc(Cl)c1O	718618016	KNRPVCKRGSKYLD-UHFFFAOYSA-N	245.149	4.598	0	10	BJAE	
CNC[C@]1([C@@H]2CCCC[C@@H]2C)CCC=CCCC1	719045046	AJHATAULSLKQAV-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCC1(CC)CC[C@H](N)c2ccc(C(C)C)cc21	757189636	SHVRKSBTJMHPCV-INIZCTEOSA-N	245.410	4.661	0	10	BJAE	
C=C/C=C\CCN(C)c1ccc(CCCC)cc1	1473260469	XJCFBUCZSMYKQY-VURMDHGXSA-N	243.394	4.598	0	10	BJAE	
C/C(=C/Cl)CSC[C@@H]1CC2CCC1CC2	1651944565	VYHDGZULTGAWIF-XMLBXONHSA-N	244.831	4.689	0	10	BJAE	
Cc1cc(-c2csc(C(F)F)c2)cs1	1889517336	CMLDWUZWUBJWHF-UHFFFAOYSA-N	230.304	4.723	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC(C)(C)C(=O)C1	1900692298	BQKHACVAXHUYRY-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CC[C@H]1CCCCCCC1=O	1900714665	XEPJFWMXKMCJJQ-CQSZACIVSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](N)CC=C(C)CCCC(C)C	1900845859	SKIBABRUTYNULJ-HNNXBMFYSA-N	225.420	4.667	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1sc(C)cc1C	1905446600	UUVADZYOAAEGBT-OLZOCXBDSA-N	239.428	4.581	0	10	BJAE	
CCC[C@@H](CC)C[C@](N)(CC)c1ccsc1	1905453077	GXTNORAJNBNUOL-TZMCWYRMSA-N	239.428	4.529	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H]1CCCCCCC[C@@H]1O	1908564300	LPBYQMBCMVNSCU-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCC(=CC1(C)CCCCC1)CNC(C)(C)C	1911893396	MAVCIHIJASDTNG-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C2CC3(CCCCC3)C2)C1	1912644931	IGBQDZKJMWBCNU-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CCCC=CCN[C@H]1CC[C@H](C)c2ccccc21	1914672534	NAPLUTWKMGMISS-YOEHRIQHSA-N	243.394	4.571	0	10	BJAE	
CC[C@H](NC)c1cccc(C2C(C)(C)C2(C)C)c1	1917173383	GCIJRHNNUDRMGI-AWEZNQCLSA-N	245.410	4.507	0	10	BJAE	
CCCCC[C@@](C)(O)c1ccc(CC(C)C)cc1	1919644399	NVWBQRUYHROXJF-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CC[C@](O)(CCC1CCCC1)c1ccc(C)cc1	1919882315	XMSVRMAOPMBVDH-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CCC[C@H](C)C[C@](N)(CC(C)C)c1ccccc1	1920483129	AKMHMYWXGAQKBE-DOTOQJQBSA-N	247.426	4.713	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC12CCC2)[C@@H]1CC1(C)C	1921488673	HFSPSMNWWAZESH-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CCCC12CCC2	1921585836	JNDGEOQLYLLZMV-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](C)(CNCC(C)C)C1CCCC1	1924084739	YGASKLLVJQXTKK-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@H](C)C1CCCC1	1924096268	BTPKZURPJUHQLV-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@H](c1nc2ccc(Cl)cc2[nH]1)C1CCCC1	1924110441	XSCKANYFNXPLMM-VIFPVBQESA-N	248.757	4.510	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1C=CCCCC1	1925762404	BNEVQWVZIMFWHP-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@@H]1C=CCCCC1	1925779376	YKRLNFWIBRFCTN-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2C=CCCCC2)C1	1934208449	CBGBRUWPUVEEAY-KGLIPLIRSA-N	206.373	4.949	0	10	BJAE	
CCC(C)(C)CCCC1(CO)CCCCC1	1939555638	WMYQXJVHKGTTFG-UHFFFAOYSA-N	226.404	4.536	0	10	BJAE	
CC[C@H](C)[C@@](C)(N)C1CCC(C(C)(C)C)CC1	1941144269	KTNKTGRWNWQVFE-WLIAPVHPSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)CC1CC1	1941584559	ARFGZUMWSGTAMZ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CCCC1CCC1	1941689639	IXNOUIQETWKCGP-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1CCC=CCC1	1941791858	RACHTRWMOVQISC-OAHLLOKOSA-N	236.399	4.908	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CCC[C@@H](C(C)C)C1	1942658964	IETLNZSIWSESEE-XHSDSOJGSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(O)CCCC(C)(C)CC1	1942665009	UZMVTXHTQTTYRQ-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@](C)(O)OC[C@@H](CC)CCCC	1942890194	UOOYGMORHSPTNY-GJZGRUSLSA-N	244.419	4.508	0	10	BJAE	
CC(C)CCC[C@H](O)[C@]12CCCC[C@@H]1CCC2	1944147334	SMNIQBKBMDZGOP-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2CCC(C)(C)C2)C1	1945584168	RGIPTVLDGNHXKI-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCCCCC1(F)F	1947291950	HEGHOCPFQWXJSJ-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CCC[C@@H]1C)NCCC	1948424909	HQUZVVGMIYLYJH-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@@H](n2ccc3ccc(F)cc32)C1	1949493844	QOKYKTOAKPADTB-CYBMUJFWSA-N	231.314	4.532	0	10	BJAE	
CC(C)=C(C)CCN(Cc1ccccc1)C(C)C	1953231609	SVHRQBOARGNQGE-UHFFFAOYSA-N	245.410	4.643	0	10	BJAE	
CC1(C)C2CCC1(NCC1CCCCCC1)CC2	1965941017	LCMXVZLWWDHRGT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N[C@@H]2CCCCC23CCC3)C1	1967791025	DLTIBQUZVLEHHM-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CNC1CC2(CCCCC2)C1	1972428050	DHZGXGIYQZVQCK-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@H]1CCCCC12CCC2	1972828984	GXQGYPYTVYLFJW-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCC1CC2(C1)CC2(F)F	1975179253	NNNAZJYUDGQGEU-UHFFFAOYSA-N	214.299	4.558	0	10	BJAE	
CC(C)CCC[C@](C)(N)C1(C)CCCCC1	1975572458	CINDJLOVPBHRRW-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)CC(=O)[C@H]1CCC[C@H](CC)CC1	1976344009	ZMOIBQIAVOSUGW-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
FC1(F)CCC[C@H](C[C@H]2C=CCCCC2)C1	1978410666	MIJMJNGGZYICNH-QWHCGFSZSA-N	228.326	4.948	0	10	BJAE	
CCCC(CCC)CNCCC(C)(C)CC	1981286297	BZFGKNQVABACCY-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC[C@@](O)(CCCC(C)(C)C)CCC(C)C	1986944350	QBMHDUFYEBAQDT-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CCCCCCN[C@@]1(C)CCCC(C)(C)C1	1989762146	UUNZVMQFPJEPFZ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](C)N(C)[C@@H](C)c1cccc(Cl)c1	1990820800	JIOARRPLTYGMBY-NEPJUHHUSA-N	239.790	4.521	0	10	BJAE	
CCN[C@H](CCCC(C)C)C1(C(C)C)CCC1	2000373593	RXGIYSPUNSYTIS-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C1(CCC)CCC1	2000389004	ZEJMCNORUBZTBZ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@@H]1CC12CCCC2	2001216576	QIFNBYKVYKTVPJ-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@@]1(C)CCCCC1(F)F	2002589750	OQHUMCNGBLJWEX-DGCLKSJQSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCC[C@@](C)(O)[C@@H]1CCCC(C)(C)C1	2003004759	HOYFBLABTLWBSI-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CO)CCCC1(C)C	2005576026	IJTDLVQCOBDGRG-GOEBONIOSA-N	240.431	4.782	0	10	BJAE	
CCCCCC[C@@H](C)NC1CC(CCCC)C1	2009713739	FQRVKLQPVVNDGZ-QQFBHYJXSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@@H](NCCC)C1=CC[C@H](C)CC1	2010615039	YPEKLXOPIQTIPY-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CC1=CCC(C)(C)CC1)CC(C)C	2010766100	CLGPFFYSBSTHLY-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](N)CC1=CC[C@@H](C(C)(C)C)CC1	2010768343	ZEWXNALYIZSDBY-HUUCEWRRSA-N	237.431	4.523	0	10	BJAE	
c1cc(C2CC2)ccc1CC1CC(=C2CC2)C1	2011087943	SGYWWCPNRNCGPJ-UHFFFAOYSA-N	224.347	4.607	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@H](C)CC(C)(C)C	2013269960	DGBNZQIBPLHGHP-ZBFHGGJFSA-N	241.463	4.993	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@H]1C[C@H](C(C)(C)C)C1	2013708911	VKJNSZFTGBUXRQ-APIJFGDWSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)C1(C)CCCC1	2014339740	NNPFEGSXRGEKMF-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CC[C@@](O)(CCC(C(C)C)C(C)C)C(C)(C)C	2015336953	UQDZQYVLWBWSCK-MRXNPFEDSA-N	242.447	4.882	0	10	BJAE	
CCC(CC)CCN(C)CC(C(C)C)C(C)C	2015337342	YHYFKJBDFYWCHM-UHFFFAOYSA-N	241.463	4.673	0	10	BJAE	
CCC(C)(CC)[C@H](N)CCC(C(C)C)C(C)C	2015344494	KLCJVZANXZPXMG-OAHLLOKOSA-N	241.463	4.848	0	10	BJAE	
CCNC[C@H](CC(C)C)CC(C(C)C)C(C)C	2015413575	WCDWLDYIBPOOJX-OAHLLOKOSA-N	241.463	4.577	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CC[C@H]2C2CCC2)c1	2017043086	NEKNHWQMAXUXRM-JSGCOSHPSA-N	249.785	4.639	0	10	BJAE	
CC(C)(C)C1([C@@H](N)CCCC2CCC2)CCC1	2017139565	WUXWWVZZDQRZJL-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2CC[C@H](C)CC2)c1	2017720054	DUSURUJSDPYPSS-NNUKFRKNSA-N	231.383	4.542	0	10	BJAE	
CCCC1CCC(CC(=O)C2CC=CC2)CC1	2017773962	ICPAZDRFIVVNHO-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1CCCC[C@H]1CC	2018129613	KGWNPRGSQBZPEH-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@H](C)[C@@H]1C	2018138704	JKQSQLWVJBGVPI-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CCCCN(C[C@@H]1CCC[C@H](C)C1)[C@@H](C)CC	2019160226	AZLJUMUGJUYROO-HRCADAONSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@H]1[C@@H](C(C)=C(C)C)CCCC1(C)C	2020351994	PEGXDJXMEVHMQR-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)C1=CCCCCCC1	2023340288	SVQLQYQBCKJGQY-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2024102148	QCDYHKLPKUWBOH-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1C[C@@H]1CCC=CCCC1	2024605986	PWCOJQVOHQROJA-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC1(C)C[C@@](O)(CCCCCC2CC2)C1(C)C	2025017489	BFIQMQMXILOMEN-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@H]1CCC[C@H]1C	2026144921	OVHHDBUEBFYTQU-FZKCQIBNSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc([C@H](O)CC2(C)CCCCC2)c1C	2027312377	VGIMBATWHOIZFZ-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CCC[C@@H]1CCC[C@@]2(CC1)Nc1ccccc1O2	2027873990	CYESUOXRGQCYCV-CZUORRHYSA-N	245.366	4.568	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)c1ccccc1C1CC1	2028561001	WHINOBUGUKVVHH-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)c1ccc(C2CC2)cc1	2028594582	YMYLETXGMCCDMX-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C[C@H](C)C1CC1	2028932131	ZTMLTWUEDZLDPJ-ZDUSSCGKSA-N	244.378	4.504	0	10	BJAE	
CN[C@H](CC(C)C)c1ccc(C2CCCC2)cc1	2031750662	VJYRVTUULNHEPW-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
O=C(CC1CCCCC1)[C@]12CCCC[C@@H]1CCC2	2031848387	DQTZXMKFNPIJOD-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2C=CCC2)CCCC[C@@H]1C	2035590573	KLQXDEGJDZONHU-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCNC[C@@H](C1=CCCCC1)[C@H]1CCC(C)(C)C1	2037686438	MBUQCGMJKFPTDP-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC1CC2(CCC2)C1	2037980457	YJHOEQGWXUMGRD-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cccc(NC2C[C@@H]3CCC[C@H]3C2)c1	2038622510	NHYMOUOSYFWZPE-GJZGRUSLSA-N	243.394	4.801	0	10	BJAE	
CC(C)NC[C@]1(C2CCCC2)CC12CCCCC2	2039013326	WYANFRLPZYWMJK-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@@H]2CCC23CCC3)CC1	2039387025	VOGRWTKJQRTXGG-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H]1CCCC2(CCC2)C1	2041301012	SYDKLMKSCGKRDG-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCCN[C@H](CC1CCC(C)CC1)C1CC=CC1	2042024678	OBEBCPQAZUKCGR-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@]1(CNC(C)(C)C)CC=CCC1)C1CC1	2042092955	BFDRFRWXSSPHIN-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C[C@H](N)C[C@@H]1CCC=CCCC1)C1CC1	2045324283	UCKHIAIDUPUNKV-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C[C@H]2CCC=CCCC2)C1	2045326758	QCXDSLIDCGQEDW-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CC[C@H]1CCC=CCCC1)CC1CCCC1	2045331217	CUPHVCBPTLXTTP-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
C=CC=CCC[C@](CC)(CCCC)CNC1CC1	2045983018	ZCZBXRAXYQPWQG-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
Cc1cccc2c1ccn2C[C@H]1CC12CCCC2	2047063564	XHPLGTQJFRISEX-CQSZACIVSA-N	239.362	4.530	0	10	BJAE	
C=CC=CCCN[C@H]1CCCCC12CCCCC2	2047583640	KPMJAUXGSYNBLF-INIZCTEOSA-N	247.426	4.601	0	10	BJAE	
C[C@]1(C(=O)CC2[C@H]3CCCCC[C@H]23)CC=CCC1	2048472994	IZPKSFRWKRSTBF-ZQIUZPCESA-N	246.394	4.518	0	10	BJAE	
CC(C)C1CCC([C@@](C)(N)CC2=CCCC2)CC1	2049415984	URHJMOQLGDHGRM-JCYILVPMSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CC2CCC=CCC2)C1	2049491654	BHCWAOANKUPQNG-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)[C@]1(C)C=CCC1	2050001518	YSVBLSAYDYZIEU-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)CNc1ccc(C)c(OC)c1	2052164215	FSLLUMOMDTUYIW-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
C[C@H](C[C@]1(N)CCC[C@H]2CC[C@@H]21)C1CCCCC1	2052298712	DMGSRGYCDRNHMX-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCNC[C@@H]1CCCCC12CCC2	2053430619	LKFYJMVUNLVGEW-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	2055226808	WEAQMDIUDGMLNW-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C1(CNC2CC2)CCCCCC1	2055286227	OVFYWNVQCRIUGF-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC=C[C@H]1NC1CCCCCCCCC1	2055567954	SLAAHLBEJMNJFW-NVXWUHKLSA-N	249.442	4.824	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(CN)CCC3(CC3)CC2)C1	2056523435	OOYFAPNPCXGIPX-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC1CC(C2CC2)C1	2056671549	MQQJJQZKUMHWHJ-FYAIKVRKSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H](C)C1CCCCC1	2056873550	OJGDCNWPLBRXEY-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CC[C@]12CCC[C@@H]1C2)CNC1CC1	2061623087	PJISUHFFXSJBGA-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
C1=C(CC2CC(=C3CCC3)C2)Cc2ccccc21	2061671897	LSOFYTMHGOQZLS-UHFFFAOYSA-N	236.358	4.907	0	10	BJAE	
O[C@@H]1CCCCCCC[C@@H]1CC1CC(=C2CC2)C1	2061693222	DRSGYKCBEJQOAF-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CC1CCC2(CC1)CCN2[C@H]1CCCC(C)(C)C1	2062763109	HJBBXEVFYQOCRA-CKDBGZEDSA-N	249.442	4.610	0	10	BJAE	
CC1CCC(C)([C@H](N)CC23CCC(CC2)C3)CC1	2065302616	JMUOBHDEPQIVIZ-WALXCBACSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CC23CCC(CC2)C3)C1	2065335054	LBNBZZLNFWRLQR-MNAZLIDISA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](c2cccc(C3CCC3)c2)N1	2066376804	ZARVYAZOLNVGNP-DLBZAZTESA-N	243.394	4.547	0	10	BJAE	
CCCC1(CN(C)C[C@@H]2C=CCCCC2)CCC1	2069330806	LYQDAOKNXOXFRS-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
C[C@H](NC[C@@H]1CCCC(C)(C)CC1)C1CC=CC1	2070809074	WRYPYTGIRMVDDI-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@H](C)C1CC=CC1	2070809687	CDJDWMZSDMEYLI-PVAVHDDUSA-N	249.442	4.536	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@H]1CC)C[C@@H]1C=CCCCC1	2071509279	ALTJLJJMAXYUEN-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
c1cc(N[C@H]2CC[C@@H]2C2CCC2)cc(C2CC2)c1	2071792121	YPBMLCNKIOZUCT-SJORKVTESA-N	241.378	4.555	0	10	BJAE	
CC1(CN[C@H]2CC[C@@H]2C2CC2)CCCCCCC1	2071792863	DCKNNBRLNKJKEK-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](CC2CC=CC2)NC)CC1	2072704710	QOIGZHPIJHICDS-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)[C@](C)(O)c1cccc(CC(C)C)c1	2072767825	MDCWMXGEURRBPE-QGZVFWFLSA-N	248.410	4.529	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@@]2(C)CC=CCC2)CC1	2072809015	KRLZQBXSSQFUHZ-GQGLESIBSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2C[C@@H]3CCC[C@H]32)CC1	2072874180	XSPZMXFOMFNNMF-UIEKQHFFSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]([C@H]1CCC[C@@H](C)C1)N(C)[C@H]1C=CCCCC1	2075404698	CJIAKKYLBZWVBT-QZWWFDLISA-N	249.442	4.632	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1C[C@@H]1C1CCCC1	2079433752	BQMYOCCODOUNIW-NVXFWENBSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](NC[C@H]1C[C@@H]1CCC)c1ccccc1	2079452092	VRRXNSDRFAAXNJ-BBWFWOEESA-N	245.410	4.554	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1ccc(C(C)(C)C)cc1	2079479761	ZROOGGVQBBEAHY-DZGCQCFKSA-N	244.378	4.603	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2079482889	FGYBSYJEJNYVCR-JKSUJKDBSA-N	246.394	4.684	0	10	BJAE	
Cc1ccc(NC[C@@H]2C[C@@H]2C2CCCCC2)cc1	2079638336	BXGYMYKSBUWHSP-DOTOQJQBSA-N	243.394	4.623	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)CCC[C@H]3CCCC[C@@H]32)C1	2081133065	OCUVOCIMZMNHNA-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@](N)(CC2CCC3(CC2)CC3)C1(C)C	2084342725	NCIPTLAXLHRVIY-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
C1=C[C@@H](CNc2cccc(-c3ccccc3)c2)CC1	2096795160	YTCMXFDGSVOGGI-OAHLLOKOSA-N	249.357	4.732	0	10	BJAE	
CC(C)(C)CC(=O)CCCCCCC1CC1	2210526541	GHBIOPLUAGLZPA-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1C[C@H]2CCC[C@H](C2)C1	2213284501	IRAVXDLBTJBJMP-JONQDZQNSA-N	237.431	4.514	0	10	BJAE	
Cc1csc(C(=O)C[C@H]2CCC23CCC3)c1C	2213642366	QRKNYSOIGYCRQJ-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](N)C1CCCCC1	2214769450	YUQBWNZSUBPVBA-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCN[C@H](CC1(C)CC(C)(C)C1)C(CC)CC	2215396333	RHYWFJDAPNDHOD-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](NC[C@H]1CC=C(C)CC1)c1ccsc1	2215838984	JEWCKXWWJBDBQS-DZGCQCFKSA-N	249.423	4.535	0	10	BJAE	
CCC(CC)C[C@@](C)(CN[C@@H](C)CC)C1CC1	2217134427	GHRAVCKKQJLOKC-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@H](CCC(C)(C)CC)C(C)C	2217146255	XPPHIJZTAWXVMG-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCc1cc(Cl)ccc1NC[C@]12CCC[C@@H]1C2	2217240232	HLYWTBYFYYFBIU-IUODEOHRSA-N	249.785	4.505	0	10	BJAE	
O=C(C1CCCCCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218310418	WKNPTVKGXKLFSK-MIFYACCESA-N	248.410	4.742	0	10	BJAE	
C[C@](N)(CC1CCC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218360556	DDUZCOLMGRKFSY-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C(CCC[C@@H]1CC[C@@H]2CCC[C@@H]2N1)CCC1CC1	2218718225	LPXHQWJIFFNYFG-BBWFWOEESA-N	249.442	4.658	0	10	BJAE	
NC[C@H]1C[C@@H](CCCCCCC2CC2)C12CCC2	2218723856	DQJIGYOUMNLBRS-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1C[C@H]2CC[C@H]1C2	2218732611	SNSAREQXHWVKBZ-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CC=Cc1ccccc1	2219068119	ZGMQBRHSTZENBX-KRWDZBQOSA-N	246.394	4.667	0	10	BJAE	
CN[C@@H](CCCCC1CC1)c1cc(C)cc(C)c1	2220030474	MFAQJFAAVYCXDU-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2220963487	SPFILKBHFLVYHM-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)C[C@@H]2C=CCCCC2)CC1	2221635232	ISIUMCMKVFJVRF-ZACQAIPSSA-N	248.410	4.620	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC2CCC2)CC=C(C)CC1	2223583956	LUNCJIJVPKLMDL-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
Cc1scc(C(=O)C2(C)CCCCC2)c1C	2242615900	RRBQSXYBOMVWRC-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
Cc1scc(C(=O)[C@H]2CC23CCCCC3)c1C	2246368256	AZZRELASIQSSOQ-CYBMUJFWSA-N	248.391	4.518	0	10	BJAE	
Cc1scc(C(=O)[C@H]2CCCC23CCC3)c1C	2246416700	SAVNOGSUTONEGL-CYBMUJFWSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@@](C)(CNCC)CC1(C)CC(C)C1	2246531783	JCOFCZJQQYIVTH-HWOWSKLDSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@](C)(N)CC[C@@H]1CCCCC12CC2	2246619841	HOJUXKITRVNQLH-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC1(C(=O)c2cc3ccccc3s2)CCCC1	2246909051	RHKJCIJTAJWVJO-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)[C@H](C)CC(C)(C)C	2247167021	WAJFYIPPNCZGLO-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CCC1(C)C)C1CCCC1	2247398301	LYWLHQRJADFHPP-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
NCC1(CC2=CCCCC2)CCCCCCC1	2247519837	ZJUJEXOZEASCHB-UHFFFAOYSA-N	235.415	4.566	0	10	BJAE	
Cc1cc(C(=O)C2(C)CCC2)cc2ccsc12	2248572638	TZFFZZUTXHZNBW-UHFFFAOYSA-N	244.359	4.583	0	10	BJAE	
CCCN[C@H]([C@@H](CC)CCC)[C@@H]1CCC1(C)C	2250353069	QWXIINBMTOXCPL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)[C@@H]1CCC[C@H](CC)C1	2250366883	MXSLXYOATULGIF-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1C[C@@H](C)C[C@H](C)C1	2250377617	GJBASZBUNSROIA-SDADXPQNSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@@H](C)C1CCCCC1	2250385259	PZDMETSLLYLUHC-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CC=CCCC[C@@H](O)C1CC(CC(C)(C)C)C1	2251542787	PGKXHYKBXZMBOS-YMAMQOFZSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@@H](C)N(C)[C@H]1CC(C)(C)CCC1(C)C	2251723085	XIPDWLXCRODMCT-KGLIPLIRSA-N	239.447	4.568	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1ccc2ccsc2c1	2253067063	FJXZSPUBDPKIBF-ZDUSSCGKSA-N	248.391	4.761	0	10	BJAE	
CCC1=CCC[C@@]1(N)CC[C@@H]1CCCCC12CC2	2253847816	BPMWKLHEVPRSCU-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CCCC1(CNCC[C@H]2CCCCC23CC3)CC1	2253883474	JXELWDMUFWSSMN-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(CN)CC=CC[C@H]2C)C1	2253940289	YZSYTIJMGYVSQS-VQHPVUNQSA-N	249.442	4.524	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@@H]2CCC23CCC3)C1	2254971697	CICWXOFLWSVXHU-CFVMTHIKSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCC[C@@H]1CCCC12CC2	2255221624	BEDMMWQEHFFMGM-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCN(C)C1CCC=CCC1	2257964802	ZLMQEIIAPJOFME-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cc(C2CC2)ccc1F	2259126527	NEZFRWDUTDBPSP-IAQYHMDHSA-N	247.357	4.694	0	10	BJAE	
CCNCC1(C[C@@]23CCC[C@@H]2CC3)CCCCC1	2260651679	MNSAMGFKLUNVFJ-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](C[C@]23CCC[C@H]2C3)C1=O	2261448816	IBMZUVSHUCLTJK-OGHNNQOOSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@@]12CCC[C@@H]1CC2	2298687096	SJHBIYBJKCCLTK-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@@H](C)CC1CCC1	2298869776	LOSKWBBFBACGPR-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C[C@H](C)CC1CCC1)NCCC	2298942272	KCLGAAKSXDFISA-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC)CC[C@H](CC)C1	2300675959	JVTLNIVNDRNFFN-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@H]1CCCC12CCC2	2300679794	XDWMDEDWZYAWFF-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(=CC[C@H](O)C1CCCC1)CCCC(C)C	2300870637	WQHAJHBXBSFXKK-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CC(=CC[C@H](N)[C@]1(C)C[C@@H]1C)CCCC(C)C	2300876220	DGHYOYTWYYAFAO-HRCADAONSA-N	237.431	4.523	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H](N)C1CCCCCCC1	2301824212	AZBBQVITIKSOMW-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@H]1CCC[C@@H]1N	2302505939	CRMRGFUWHZDMQR-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC(CC[C@@H]2CCCC[C@@H]2N)CC1	2302506916	KWVYVNPTNMCROE-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)CCCCC2CC2)C1	2302570542	ZVKGWOVBQMMNQV-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H](C)CC(C)(C)C)CC1	2303597785	UQPMEZCYWDASDX-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](O)(CC)c1cc(C)ccc1C(C)C	2307518540	JQFKAVZYJGUQRU-MRXNPFEDSA-N	234.383	4.516	0	10	BJAE	
CCC[C@H](CC)C[C@H](C[C@@H](C)C1CC1)NCC	2307826714	PWSTZCRNEKXSMB-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CCCCC1CC1)NC	2307899264	PGZKZUZQNVXBBQ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H]1CCC[C@@H]2C[C@H]12	2310191542	GVALMKBJFWVQPH-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C[C@@]12CCC[C@@H]1C2	2310385342	FMZCXONADPXMIH-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H]2CCC[C@@H]3C[C@H]23)C1	2312671103	WBOYAOWPOSZDPY-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2C[C@@H]3CC[C@H]2C3)C1	2312951453	RQNLFSRMMNLRTQ-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@H](O)c1cccc(C2CC2)c1	2316240809	YOWVRMRLEQQZKT-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
C1CCCC(C[C@]2(C3CC3)CCCCCN2)CC1	2316864511	DTPSFLBOWCSWTC-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
N[C@@H](CC1CCCC1)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316881479	QFVBSNKJGMAWRE-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@](C)(CN)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317115707	YFWNTNHOIQKCNA-VQHPVUNQSA-N	249.442	4.524	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H](C)[C@H](C)C(C)C	2317898090	KHUPCPCZDJSDRN-KGLIPLIRSA-N	246.394	4.750	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H](C)c1ccco1	2317914370	BMJDIQFXAQGGRM-LLVKDONJSA-N	247.313	4.715	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CCC2=CCCCC2)C[C@H]1C	2317937553	ZDFMTRBTNHXFDI-FMKPAKJESA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)[C@@H](C)[C@@H](C)C(C)C	2317987250	WVECAPLUBLGWBQ-ZOBUZTSGSA-N	247.426	4.574	0	10	BJAE	
CCNC[C@]1(CCCC2=CCCCC2)CC1(C)C	2318587603	UYDZSCCBCSPTRG-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@H]1C[C@@H]2CC[C@H](C1)N2CCCC1=CCCCC1	2318596864	DVNJJZXJZFABEL-XGBSXSJOSA-N	247.426	4.530	0	10	BJAE	
CC1(C)CC(C=C[C@H]2CCC[C@@H]2N)CC(C)(C)C1	2318949711	RLBZHNYMINPKLM-CABCVRRESA-N	249.442	4.523	0	10	BJAE	
CCCC[C@@](O)(CC)c1cc(C)ccc1C(C)C	2327703807	NODYNEBBNVVAOP-KRWDZBQOSA-N	248.410	4.906	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCCc2occc21	20520405	KSDLZJXCQUFECI-HIFRSBDPSA-N	249.398	4.606	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccccc2Cl)cc1	20554026	CCFRUAOPKPUCOD-GFCCVEGCSA-N	245.753	4.822	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC1CCCCCC1	21817415	GMXLMSNWBMRASM-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CC(C)c1ccc(OCc2ccccc2F)cc1	70236381	ZZPUMNGCPMKZFZ-UHFFFAOYSA-N	244.309	4.528	0	10	BJAE	
CCCC[C@H](CC)CCCC(=O)C(C)(C)C	70740034	OFALGQHGOXTXAL-ZDUSSCGKSA-N	226.404	4.988	0	10	BJAE	
CCCN[C@@H](CCC[C@H](C)CCC)C(C)C	70747067	VOMRYDVEGXSNMW-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](c1cccc2ccccc12)[C@H](C)CC	70943404	NBZBINNRWYTOFP-CXAGYDPISA-N	241.378	4.537	0	10	BJAE	
CCCC[C@@H](CC)CC(C)(C)CNCCC	71127445	UBRMFIRWXPSXCQ-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1csc2ccccc12	87179389	OGXNELXJLRCHPK-RISCZKNCSA-N	248.391	4.761	0	10	BJAE	
CCCCCC[C@]1(C(=O)O)CCC[C@H](CC)C1	87975662	FAPZDMDYIVPMOM-ZFWWWQNUSA-N	240.387	4.628	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](N)C2CCCC2)cc1	90482669	ILEMWRUAUNDSGD-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CCCc1ccc([C@@H](CC)CCC(=O)CC)cc1	107477131	VDJOXLLLEOTOHV-HNNXBMFYSA-N	246.394	4.892	0	10	BJAE	
CCc1cccc2ccn(CC3CCCCC3)c12	128425217	KXFSZAYRSWDRDJ-UHFFFAOYSA-N	241.378	4.784	0	10	BJAE	
CC1([C@H](N)c2cccc(C3CCC3)c2)CCCC1	133521957	QBOQYOQWIXKVKQ-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCCC[C@H]1C[C@@H](CCC)CC[C@@H]1CNCC	156123744	VMFFNMSWSRPOCQ-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
C/C=C/CCN[C@@H](c1cccs1)C1CCCC1	161677811	GHLGNONXSVYHPI-XYBNCVKDSA-N	249.423	4.535	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC[C@@H]2C(C)C)cc1	214457302	ZSKOVMJUUBUWMI-IAGOWNOFSA-N	245.410	4.876	0	10	BJAE	
C[C@H](F)C1(c2ccccc2Cl)CCCCC1	220782963	REWRCDCHLDRXSA-NSHDSACASA-N	240.749	4.900	0	10	BJAE	
CC(C)CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O	221682573	OIDKWEXSAXOGMN-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CN[C@H](C)c1cc(C)c(C)cc1C	232992086	WHGBPRCXUJEPIF-OAHLLOKOSA-N	247.426	4.699	0	10	BJAE	
CCC(=O)c1ccc(N[C@@H](C)C[C@@H](C)CC)cc1	234005943	VFPYFSRLWMWVPZ-STQMWFEESA-N	247.382	4.516	0	10	BJAE	
Cc1cccc2c(C3(C)CCCCC3)c[nH]c12	235921131	SLAPVEYWVXLDAK-UHFFFAOYSA-N	227.351	4.698	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1C[C@H]2CC[C@H]1C2	250474224	UIZBLWKDWMPPTR-KKUMJFAQSA-N	243.394	4.658	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2C[C@H]3CC[C@H]2C3)CC1	251275598	DLNIIBRQVTUGAX-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@](N)(CCC2CCCCC2)CC[C@H]1C	305897444	PWWSMSHVXDCWSM-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC/C(=C\C1CCCCCCC1)CNC(C)C	305947396	SZJJNXSHALPUSC-NTCAYCPXSA-N	237.431	4.681	0	10	BJAE	
CSc1ccc2sc(Cl)cc2c1Cl	306892844	XTHRLWKKSQEPEH-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCOc1ccc2cc(Cl)sc2c1Cl	306942832	UKWYOIJUJRTARC-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
Cc1c(C(F)F)ccc2cc(Cl)sc12	307672168	WEUYMHZUJYOAOQ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)c1ccc(CC)cc1	307984559	AMGIXPNBOISNDE-SJORKVTESA-N	248.410	4.745	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)c1cc(C)ccc1C	308091944	UJWZCZBYZVPJNI-NVXWUHKLSA-N	247.426	4.766	0	10	BJAE	
CC(C)(C)CCCNCC(C)(C)C1=CCCC1	308766557	FDMUFMCUEUDGQS-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC1(CNc2ccc(Cl)cc2C)CCC1	309813185	ZTDKZCSIGHIYCG-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C[C@@H]2CCC[C@H](C)C2)c1	310970937	ICIAAXPVNYJAFF-XGWLTEMNSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1CCCC12CCCCC2	312999961	APTURLDTSCPYDI-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CNCC1(CC2(C)CCC2)CCCCCCC1	317002991	HURMZXGIFAQIDY-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(O)CCC[C@@H](C(C)C)CC1	319062272	XDXOMCDDBQBSFK-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](Nc1c(C)cc(C)cc1C)C1CCC1	322842935	MGFZMHCDAVDGKX-MRXNPFEDSA-N	245.410	4.993	0	10	BJAE	
c1ccc(-c2ccc(N[C@H]3CC[C@H]4C[C@H]43)cc2)cc1	378970320	ZZXCAUJTKLDUHK-JQHSSLGASA-N	249.357	4.564	0	10	BJAE	
CCC[C@@H](Nc1ccc2sccc2c1)C1CC1	383343831	SLSSNWDEFAIYOJ-CQSZACIVSA-N	245.391	4.892	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1CCCC[C@H]1C	384554108	QOYMGCLAGFFYJC-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C1CCCCCC1	385206470	PTTDLOKBODCVAW-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C1CCCC(N[C@@H]2CCCC23CCCC3)CCC1	385870277	YRQWEGAQNWIXSO-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C(C)(C)C(C)(C)C	390784807	NORGWZSMGYGBRS-GFCCVEGCSA-N	228.420	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1C=CCCCCC1	393941363	ZPMCNBYUWYRMET-CVEARBPZSA-N	237.431	4.680	0	10	BJAE	
CC(C)CCCCC[C@H](O)CCc1ccccc1	394877024	XOZNCLBVSNQETJ-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
CCc1ccc2scc(CC)c2c1C(F)F	396229007	SVTKRDFEEUEZGO-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1cc(C(F)F)cc2sc(S)cc12	396240947	LFQFORVOVSLJKO-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C[C@H](C)C1CCC1	398674887	UOXHDYWNDWPMSV-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](O)CCC(C)(C)C1CC1)C(C)(C)C	405986930	FHSFDHZUSZEQLB-OCCSQVGLSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(NCCC(C)(C)C2CC2)cc1C	406082481	ULRSDOGKCQNYST-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CCSc1cccc(N[C@@H](C)[C@@H]2CC2(C)C)c1	689684214	GFEBFBGBDYBLGE-FZMZJTMJSA-N	249.423	4.645	0	10	BJAE	
CC[C@H]1CCC[C@H]1N[C@H]1CCCCC[C@H]1CC	691161694	BJYQDDNQHMANSW-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@H](C)C1CCC1	692753646	VENSAUKTQHAWGG-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)c1cccc(C)c1C	696245857	AAISLQKIUHKLGE-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCNC[C@@H](CCC(C)C)C1CCCCCC1	696818654	VSFRLLXDHNWVAR-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCCC(C)(C)[C@@H]1CC[C@H](C)CC1=O	697805540	BSMFCKYPYPNFHA-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
CCCCCC[C@H](N)[C@@]1(C)CC[C@H](C)C1(C)C	699051404	LYNYOYDMAWKERR-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C1CCCCC1)C(C)(CC)CC	701132400	GXIXTSPUJAIXFV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)C[C@H](C)C1CCCCC1	704889233	KNYYSVHHGGEBDN-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)CCCC(C)(C)C	708281085	JFBGURUSNJBKAM-STQMWFEESA-N	227.436	4.602	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H](C)CC(C)(C)C	708285691	JNPRVGRQEZYFQG-GJZGRUSLSA-N	241.463	4.993	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(O)CCC[C@@H](C)CC1	709264689	ZUEWQQXWRURTQP-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)C[C@@H](C)C(C)(C)C	710706179	IUVSHQQVFDAMBW-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@@H](C)CC(C)C)C(C)(C)C	711110713	HMSYDVIYLDBWBX-RRFJBIMHSA-N	241.463	4.848	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@@H](C)C[C@@H](C)C(C)(C)C	711125989	IQRBTVRSHQZZTK-BFHYXJOUSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCCC1CCC1	711169015	JSZUJWANNBTXEO-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CCCNCC1(CCC(C)(C)CC)CCCC1	711248178	WUUVBYQUMWWWRD-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCNC[C@@H]1CCC[C@H]1CCC(C)(C)CC	711291584	CMTWXRQMAFQWCG-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC(C)(C)C(C)C)C1(CC)CC1	713210475	DYPUBDJMCVJSQG-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC(C)C)CCC[C@H]1C	713345387	AKZYQUOGJXJLDJ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CN[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1	714258591	OTHAXQIQTJTNRL-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(N[C@@H]2CC[C@H]3CCCC[C@@H]32)CCC1	714315032	KRJDUYSSSMLYKP-HYVNUMGLSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H]2CCC(C)(C)CC2=O)C1	717529566	CHPPGJBSYZDCIJ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cccc(C)c1C	719180374	JMHGRVVWXXNLRX-UHFFFAOYSA-N	230.351	4.623	0	10	BJAE	
C1CCC(CCCNCC2(CC3CC3)CC2)CC1	1474686967	KWHYDPJNHBPWRR-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@H](N[C@@H](C)CC1CCC1)C1CCC1	1621315157	BEGNCELONWEGLE-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
C=C/C=C\CCSc1ccc(F)c(Cl)c1	1652515534	GROHJCNQHZEJKG-ARJAWSKDSA-N	242.746	4.704	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@H]1C[C@H]2CC[C@H]1C2	1880414449	FBPRRWUUUCIXBP-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CCNCCC=Cc1ccccc1	1912045461	VHCUJYAWFKBYJG-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
C1CCC2(CC1)CC[C@H](NCCCC1CCC1)C2	1915855689	SRKXBGFQFWBZDM-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
C[C@H](CN[C@@H]1CCC2(CCCCC2)C1)C1CCC1	1915856006	VYXDFBNSOJHKIH-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](O)(CC)c1ccccc1C1(C)CC1	1919479148	XFUOXTZMIBPHTH-KRWDZBQOSA-N	246.394	4.526	0	10	BJAE	
CCC(CC)[C@@](C)(O)c1ccc(CC(C)C)cc1	1919645481	XTPPZFFXCWFIAD-QGZVFWFLSA-N	248.410	4.529	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CCC(C)=C(C)C	1919960608	DVJKWEXLWIKFCP-HIFRSBDPSA-N	226.404	4.700	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@H]1CCC[C@H](CC)C1	1920196199	HDMDPBVLAGYRIO-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C1CC(CC)C1)C(C)(CC)CC	1921305369	PDQPPAXAMGUPPM-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H](C)C2CCCC2)c(C)c1	1924116409	PRETVANMRYPJCC-AWEZNQCLSA-N	244.378	4.621	0	10	BJAE	
NC[C@@H]1CCC2(CCC2)[C@H]1CCC1CCCCC1	1924787209	CACYFNCHPZRKFU-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)C[C@@H]1C=CCCCC1	1925894036	YLQPFHLKQRKCGB-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CCc1cnc(-c2ccc3sccc3c2)s1	1938509674	IBJMGTNAMIHFBE-UHFFFAOYSA-N	245.372	4.587	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H](C)C2CC2)CC1	1940698530	GLDMIHJFYRDTTR-OPFPJEHXSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](O)(CC)C1CCC(C(C)(C)C)CC1	1941143738	FJMBNQIOTGWZMM-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)C1CCC(O)(CCC2CCC2)CC1	1941469257	BAVDDKZACSXGDX-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(O)CCC1CCC1	1941472491	AMXHAUQEXXVNFO-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)CCC1CCC1	1941474723	ZOEMYOUOMRBNAG-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC1CCC=CCC1	1941796160	YJJUPGQMBBNQKE-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCCNC[C@H]([C@@H](C)CCC(C)C)C(C)(C)C	1942657005	NGJYFUPMOXIWDN-LSDHHAIUSA-N	241.463	4.721	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@@H]1CCCCC1(C)C	1944791015	QPSWGFHBQGANFU-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@@H]1CCC[C@H]1C)C(C)(C)C	1944834804	ZFNNHBPOMLXHOA-LXTVHRRPSA-N	240.431	4.636	0	10	BJAE	
C1=C[C@@H](Cc2cccc(C3CCC3)c2)CCC1	1947551541	HBXBGQKMGHJLMI-CQSZACIVSA-N	226.363	4.853	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C1CC(C)(CC)C1	1948407676	SDPZAJFOFQVECI-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H]1CCCC[C@@H]1C	1948993841	JKGASNLECXVAGQ-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@@H]1CCC(C)(C)C1	1949433783	OUAFSBNCXBROCJ-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@]1(CNCC)CC12CCCCC2	1950598324	FHOXULVVKKWNPM-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CCC(C)(C)CC(=O)C(CC)(CC)CC	1959915099	XMLSZZUUUKZMIJ-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
C[C@]1(CC[C@@H]2C=CCC2)CCCC1(F)F	1960757933	VBJXMKFYTSJDPP-VXGBXAGGSA-N	214.299	4.558	0	10	BJAE	
C1CCCC(CCN[C@H]2C[C@H]2C2CCCC2)CC1	1967828006	OOQKQLHZQLHONT-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(NCC2[C@H]3CCCCC[C@H]23)c1	1968228891	ADXVFQORADYHPI-GJZGRUSLSA-N	243.394	4.542	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cc(C)ccc1Cl	1976010114	HMABQTUOJCGBJM-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
C/C=C/CCC[C@H](CCCCC)NCCC	1984636212	XIDFJTOMPBEUCK-SZTZYQKNSA-N	225.420	4.681	0	10	BJAE	
CCCCC[C@@](O)(CC)c1ccccc1Cl	1990092008	TZCOYVOQJKHULW-AWEZNQCLSA-N	240.774	4.518	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCC=C(C)C	1995260609	XFMHEPMOXKHIRD-LSDHHAIUSA-N	226.404	4.700	0	10	BJAE	
CC[C@@H](c1nc(C2CCCC2)cs1)C(C)C	1995498297	MXCVSWLRLRHPHI-GFCCVEGCSA-N	237.412	4.950	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)C1(C)CCCCC1	1995986214	DBMSWZQMDWZLQB-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](N[C@H](C)C1CCC(C)(C)CC1)C(C)C	1996551388	CJMGQPIOWVQMAU-HIFRSBDPSA-N	239.447	4.616	0	10	BJAE	
CC1(CN[C@@]2(C)CCCC2(C)C)CCCCC1	1997354403	XMCBBUOJFWMCLU-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1CCC=CCCC1	2000002348	WJFJWVYEHBINND-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCC(=O)CC1CCC(C)(C)CC1	2000195533	UHJSMYLTMZQJKR-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCC1([C@H](CCC2CCCC2)NC)CCC1	2000334483	TYWBTPLULUNUGW-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@@H]1CC12CCCCC2	2001225391	OUZQKNPPQAOJPM-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@]1(O)CCCCC12CCCCC2	2001600942	DQIDUEKAVLNHRI-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCC1CCC([C@@](C)(O)C2CCCC2)CC1	2002924595	JQBVNUIIQZUFAX-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCC=CCN[C@H](C)C1CCC(CC)CC1	2002924719	KGHJPUFIKRGARF-QQFBHYJXSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@H]1CCCCCCC[C@@H]1O)C1CCC1	2003110308	CIUISURBUJWKOH-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]1C[C@@H]([C@H](C)CCC)C[C@@H](CC)C1	2006621496	BDBOLVFXULESAG-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CN[C@@H]1C[C@@H](CCCCCC(C)C)CC[C@H]1C	2006949617	UXLDOEIONYTMDD-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1CCC(C)(C)CCC1=O	2009403550	DBQNFLAZKADGRG-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCC1(CC)CCC(O)(CCC2(C)CC2)CC1	2009543956	LEMGNDBEYABIIX-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
C/C=C/CCCNC1CCC(CC)(CC)CC1	2009591103	UWBTZNROHGBFMZ-QPJJXVBHSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(F)ccc1CCC1CC(=C2CC2)C1	2011089216	KEAMYBMOOSXUBH-UHFFFAOYSA-N	230.326	4.567	0	10	BJAE	
CCNC[C@@](CC)(CCC(C)=C(C)C)C(C)C	2012421895	QHNKONLASILNCZ-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CC(C)C(C[C@@H]1CCCCCC[C@H]1O)C(C)C	2015275685	RVPYMJRYCILPLM-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
CCNC[C@@](C)(CC)CCC(C(C)C)C(C)C	2015347480	QAJWFTNQWRAHFJ-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
Cc1cc(NC[C@H]2CC23CCC3)c(C)cc1Cl	2015536927	GFHUNCBAZLBKDH-GFCCVEGCSA-N	249.785	4.559	0	10	BJAE	
CCC1(CN[C@@H](C)CCC=C(C)C)CCCC1	2016150139	QFMLVBPUUGEKQS-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H]1CCCCC1(C)C	2016150833	YJHRWNAIUKTDKE-CABCVRRESA-N	237.431	4.680	0	10	BJAE	
CC(C)CCCN(C)CC1(C(C)(C)C)CCC1	2017122780	DZALMMRQSQULEQ-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC1CCC(C[C@@H](O)[C@@H](CC)C(C)C)CC1	2017648218	KUVGXGJJYIQDKA-SSHXOBKSSA-N	240.431	4.636	0	10	BJAE	
CCCC1CC(O)(CC2CCC(CC)CC2)C1	2017649161	SPYQFFWIYVHIJM-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCN[C@@]1(C)CCC(C)(C)C1	2017905757	MSGRULOBUPMCBO-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1[C@H]2CCCCC[C@H]21	2018131113	MJZLYOVAEXYLNW-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@]2(O)CCC[C@H](CC)CC2)CC1	2018980153	NECQYVOLKPIDQC-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@H](NCC)C(C)(C)CCC)CC1	2018994245	KNJFOSRPQVOQAS-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCN(C[C@H]1CC[C@H](CC)CC1)C(C)(C)C	2019477441	IZUYFKACOMIBAQ-SHTZXODSSA-N	239.447	4.713	0	10	BJAE	
CCCCCC[C@](C)(O)CC[C@H]1C[C@@H]1C1CC1	2019683615	LOAWDWGHPGSCOJ-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1CCCC[C@@H]1C	2020966437	FRWHORRBWUDIIV-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C)c(C)c(CC[C@@H]2C=CCCC2)c1	2024069780	BBNAKVFDFZORGX-MRXNPFEDSA-N	228.379	4.901	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@](C)(N)CCC2CC2)C1	2024090458	YUFQJPUBGBYUIF-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NCC)c1ccco1	2026171158	UNZRTAFAPAHYSD-KGLIPLIRSA-N	237.387	4.537	0	10	BJAE	
Cc1ccc(C)c(C(=O)C2(C)C(C)(C)C2(C)C)c1	2027153702	VTJKGHZGKBYGMQ-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
CC1(CC(=O)[C@@H]2CCCC3(CC3)C2)CCCCC1	2027275945	NCMQLBRKJDONPG-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CC1(CC[C@H](O)c2cccc(C3CCC3)c2)CC1	2027736980	PTLXTNSUQSWYQB-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@](C)(F)c2cccc(N)c2)C1	2027938594	FFHAPUYSGZKRNI-DMEJVMROSA-N	249.373	4.526	0	10	BJAE	
CC1(C)CCC(C(=O)CC(C2CC2)C2CC2)CC1	2032153495	HYIRLLBWPRRJRM-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(=O)C(C)(C)C2CCCC2)c(F)c1	2032307276	VDXXBIOASHABEB-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCc1cccc(CC)c1NC[C@@H]1CCC[C@@H]1C	2032514586	NOWDYACGFJTFNN-BBRMVZONSA-N	245.410	4.660	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@H](C[C@H]2C=CCCC2)C1	2035593963	UKUOVMHFWKECCC-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@H]1CC12CCCC2	2036088028	BIVDHQOZNCSKQH-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)C1CC2(CC2)C1	2036178847	UYESQYPMIIXVRB-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2CC(C)(C)C2)cc1C	2037978625	BCQGCSZBSRVONI-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N)(C1CC(C)(C)C1)C2	2038901626	WWIHUKIMGMIMLP-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](O)[C@H]2CCC[C@H](C)CC2)c1C	2039359727	MLEXPULRSZFXLW-YLQAJVPDSA-N	246.394	4.553	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H]1CCC[C@H](C)CC1	2039363898	SOXCFNHHSUVXQV-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CC3(CCC3)C2)CC1	2041383635	PCMVDGNVNFWDIB-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@]2(C)CC=CCC2)c1	2042023378	AUKVCXFOWSHLIG-IAGOWNOFSA-N	243.394	4.556	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)CCC2CCC2)cc1	2042742859	NYKFXLBBECVQIH-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CC[C@H](N[C@H](C)CC1=CCCCC1)[C@@H]1CC1(C)C	2043186889	HWZYFAONJYFFRK-KBMXLJTQSA-N	249.442	4.680	0	10	BJAE	
CCN[C@H]([C@@H]1C=CCCC1)[C@@H]1CCCC[C@@H]1CC	2043188089	QTXKXUVDNLENJZ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@@H](O)[C@@H]2CCCC(C)(C)C2)c1C	2045363387	AYXJIFPQMDAKHS-ZBFHGGJFSA-N	246.394	4.553	0	10	BJAE	
CCNCC(CC)(CC)C[C@@H](C)c1ccccc1	2045991449	ZLHWTMILUMOECM-OAHLLOKOSA-N	247.426	4.596	0	10	BJAE	
N[C@H](CC1CCCC1)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047413673	SHLJOILEJVZJDG-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
O[C@@]1(C2=CCCCC2)CCCCC12CCCCC2	2047589838	LHQAFJKOZTVNGD-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@@H]1CCC12CCC2	2047944151	WMDADFVPCHXPHT-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2[C@H]3CCCCC[C@H]23)CC1	2048447404	VMGXGSCDHXDJMJ-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2[C@H]3CCCC[C@H]32)CC1	2049194262	HTXFOMGBXCISKQ-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)[C@H]2CCC3(CCCC3)C2)CC1	2049633959	ANGGPBSHMYAFFT-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CC2CCC3(CC2)CC3)C1	2049966686	ZNSULFFUAGBGBK-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@]1(C)C=CCCC1	2049992723	QBCGHDYETIJCTK-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
C[C@]1([C@H](N)C[C@@H]2CCC=CCCC2)C=CCCC1	2050009129	LIAXNDYGCDGKHT-ZACQAIPSSA-N	247.426	4.587	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Oc2cccc3c2CCC3)C1	2050413251	HWVUKNGQDIVCIF-UKRRQHHQSA-N	244.378	4.523	0	10	BJAE	
Cc1ccc([C@H](N)CC[C@H](C)CC(C)(C)C)cc1	2050431156	PYDVEXIKTUUNFQ-GOEBONIOSA-N	247.426	4.847	0	10	BJAE	
CCC1(CC)CCC(N)(CC2[C@H]3CCC[C@H]23)CC1	2051593379	FLCBCNUHMKLUMU-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
C1CCC([C@H]2CCCCN2CC2CCCC2)CC1	2051676371	GIQXOKYSHBIYQW-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@@H](C)C2(C)CCC2)c1	2052347854	GLCYQNIXFMGALM-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
CCCNC[C@]1(CC2(C)CC2)CCCCC12CC2	2053353860	BTBXCVWFNASXGA-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2055209205	IFUWWQLCNYYSPS-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@@H]1C=CCCC1(C)C)C1(C)CCCCC1	2055529616	XRKKTJCGRMJLJE-LSDHHAIUSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)C1(C)CCC2(CC2)CC1	2056557817	YEUKCQHOOYNECP-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H]1[C@H]2CCCC[C@H]21	2059250748	TWSDQROMZFHXBA-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@H](CC)c1ccccc1	2059259244	NFKOSCOYVHDNLW-IAGOWNOFSA-N	245.410	4.515	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)[C@H]2CCCC[C@@H]2C)CC1	2061089099	QWGAOZYZIHSHIJ-FSDCSDTHSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H]1CC=C([C@]2(N)CCCCC2(C)C)CC1	2061113145	MCNOQBMMCCHNCY-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@H]2CCCC[C@H]2CC)CC1	2061116218	NVVINRJAODQEHI-TXCZRRACSA-N	249.442	4.667	0	10	BJAE	
CCC1(CC)CC(N)(C2=CC[C@@H](C(C)C)CC2)C1	2061120642	ZEDBHLMLENPFJP-CQSZACIVSA-N	249.442	4.667	0	10	BJAE	
CC1(C(=O)CC2CC(=C3CC3)C2)CCCCCC1	2061699389	MECSZVUBOCFWAK-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C[C@H]2C=CCC2)CC(C)(C)C1	2063633757	CRWJAHMXQGNTPF-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1C)c1occc1C	2063670300	BUEKMVHAGYCPGB-CQSZACIVSA-N	243.350	4.768	0	10	BJAE	
CC[C@H](NC1CCCCCCC1)c1occc1C	2063678014	NHSOVVSAAHRIIV-HNNXBMFYSA-N	249.398	4.742	0	10	BJAE	
CCC1CCC(CNC23CCC(CC2)CC3)CC1	2065335929	UYEOSHWEWXNKAY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](N[C@H]2CCCCCC23CC3)C1	2066627648	OROMDZPQZQYMSL-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCC1(CN2CC[C@H](C)c3ccccc32)CCC1	2069325688	FVRHIBIANNMOEA-AWEZNQCLSA-N	243.394	4.581	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)C2(CC(C)C)CC2)CC1	2069520180	UZRVASTXJGZIJK-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@H](N)C2(CC3CCC3)CC2)CCCCC1	2069564555	UNIXTVNCCKEKQZ-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)[C@@]2(C)C=CCCC2)CCC1	2071942008	ZQMZUWWIOUCJGE-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C[C@@H]2CC=CCC2)CC1	2072702432	LXJDHPUTJGEJJC-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@@H]2CCC23CCC3)CC1	2072792552	BDHBRYGKUJZQNA-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC2(N)CCC(C3CCC3)CC2)CC1	2074624637	SXZCAINUTPDOKQ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@]2(N)CC(C)(C)CC3(CC3)C2)CC1	2074628219	CJQUFBIPQIDCQD-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC3=C(CCCC3)C2)C1	2074896980	SLCWUJTWZMDVRW-PBHICJAKSA-N	247.426	4.532	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1C[C@@H]1C1CCCCCC1	2079523111	MXXNUDJZXKRVQV-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1C[C@@H]1C(C)C	2079810159	AJJCKABVTKQFHQ-JKSUJKDBSA-N	246.394	4.789	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@@H]1C[C@@H]1C1CCCC1	2079852994	TWPUITWOOAAWJG-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CC=CCCCN(C)[C@@H]1CCC[C@H]2CCCC[C@H]21	2081147848	KJIRNLQRWVHSGC-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CN[C@@H](c1cc(C)cc(C)c1C)[C@H](C)CC(C)C	2082920246	XBQFNUYCCNEHAT-RHSMWYFYSA-N	247.426	4.555	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)CCCC3(CC3)C2)C1	2082982881	OBTGEQIMIJQDOI-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@@](C)(N)c1cccc(C(C)(C)C)c1	2083541443	KZQIOVJKTRJVPM-QGZVFWFLSA-N	247.426	4.738	0	10	BJAE	
CCC[C@](C)(CN)CCCCCCC1CC1	2210525740	UTNQORVBLFFULQ-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CC(C)(C)CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213276692	CTXYHMMZNPNVNS-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@]1(C)NCCCCCCC1CC1	2213576245	OBXWUISYGLZULE-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCCCC2CC2)C1	2214551816	IADNUVDUYBKDLY-WFASDCNBSA-N	234.383	4.518	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)CCCCC2CC2)C1	2214562889	LVPGJEORNYEVGL-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1ccc2sccc2c1	2215311433	LHIVRCJXTPYBRQ-NEPJUHHUSA-N	245.391	4.749	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC[C@]1(C)CC=C(C)CC1	2215821143	LKMWVPPJYPMCDO-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@@]1(O)CCC[C@@H](C(C)(C)C)C1	2216253981	WMQUUUYVLKOWOF-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCC1CC(NCCCCCCCC2CC2)C1	2216903463	ZBBIRQOHRCAORI-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C(C)C)CCCCC1(C)C	2217127536	XAYFHVYJFLVZOP-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(CC)CNC1CCC1	2217131045	VQHQQZKWDLBWSR-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CCC(F)(F)CC)CN[C@@H](C)CC	2217139432	HBMUEZFRZZGOMY-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
O=C(C[C@H]1C=CCCC1)C1C[C@H]2CCC[C@H](C1)C2	2218339592	LRBNGINHDIVCGU-KKUMJFAQSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@H](C=C1CCC[C@H]2CNCC[C@@H]12)CC	2218420281	IPNXCICRSDEEEG-PVAVHDDUSA-N	249.442	4.539	0	10	BJAE	
c1nn(CCCCCCC2CC2)cc1C1CCC1	2218731610	NVQGBEAGHAAYJQ-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNCCCCCC2CC2)C1	2218750361	ORVAWIXYXWAOPZ-RHSMWYFYSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@@](N)(CC)C/C=C/c1ccccc1	2219090545	AAVWLTGRZIPVKJ-RTGRKSDTSA-N	245.410	4.778	0	10	BJAE	
CCCC1CCC(C=C2C[C@@H](C)CN[C@H]2C)CC1	2220374086	CHXZZALLABCTGT-QVOMUQBLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(N)CCCCC12CCCC2	2220882568	XOTIZHPGIDGYIU-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@H]2C(C)(C)C)CC2(CCC2)C1	2221002120	QHDCTGOWCGVBPP-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C)c1cccc(C2CCCCC2)c1	2221803477	WNHJOBNHGINDDX-AWEZNQCLSA-N	245.410	4.795	0	10	BJAE	
C1=C[C@H](NCCCCCCCC2CC2)CCCC1	2223159847	OHSLLWPMVRUVQL-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](O)c1ccc(C2CCC2)cc1	2223683227	GXVWCSHDKVIQFP-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)c1ccc2occc2c1	2224135942	SQXCEMBSDDHVFZ-ZBFHGGJFSA-N	245.366	4.505	0	10	BJAE	
CC(C)(C)CCCC(=O)c1ccc2occc2c1	2224156622	AQPCZEDOOKERMU-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CCCC[C@](O)(CC)CC[C@@H]1CCC[C@@H](C)C1	2246692471	PIZFMDCQGLRPNP-OWCLPIDISA-N	240.431	4.924	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC[C@@H]1CCC[C@H](C)C1	2246726450	LQRCRXXHPCFDNE-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)CC[C@@H]1CCC[C@@H](C)C1	2246728282	QBTLAYGBOQWXFL-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)CC1CCCC1	2247116381	ZFCWIVRYITZHQJ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@H]1CCC12CCC2	2247394396	NXUWSQNENASZOS-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](N)(CC)CCCCC[C@H]1C[C@@H]1C	2248814128	LDQBWAKYWJMHLF-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CCC(=O)c1ccccc1SCCC1CCC1	2249296060	FHHCMIABXQXORU-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1C[C@H]2CCC[C@@H]2C1	2250354739	GIEBADNUAWCSAB-RRFJBIMHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)CN[C@H]1CCCCCC1(C)C	2250381396	NVXNXNVLJWGJFE-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CNc1cc(F)c(C)cc1F	2250393647	ZDDJYIBPRVKWLA-NSHDSACASA-N	241.325	4.511	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)C1CCCC1	2250482132	SBSMFVMWJGTDOB-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CC[C@H](C)CCCC(C)C)[C@H](C)NC	2250482902	XDTYWWJSRGOWTE-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC1(O)CCCC1	2250485170	KCXUQAORKOTJKH-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CC[C@](C)(CC[C@@H](C)CCCC(C)C)CNC	2250493097	YSQRJUBJUKPXHW-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CC=C=CCCNCC[C@H](C)CCCC(C)C	2250494306	AMILTPIKXAMVGW-QJGJFNONSA-N	237.431	4.550	0	10	BJAE	
C[C@H](CC(=O)[C@@]12CCCC[C@H]1CC2)C(C)(C)C	2251130420	ZVHFUVLQAYORPD-DVOMOZLQSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@@]12CCCC[C@@H]1CC2	2251210138	DIYVWZWGXIMVIB-LZWOXQAQSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)C[C@@]23CCC[C@@H]2C3)C1	2253930482	MWFJYWVSQDADPC-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC(=O)CC2CC3(CCCC3)C2)C1	2254117349	ZTMVUBGOJMCVAX-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1ccccc1C(=O)CCCCC[C@H]1C[C@H]1C	2254537824	SIVWFWSIICSDHJ-CABCVRRESA-N	244.378	4.784	0	10	BJAE	
CC[C@]1(CC[C@@H]2CCCC23CC3)CCCCCN1	2255224610	FTLWXWCIVUHRML-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CC(C)C1([C@H](N)CC[C@H]2CCCC23CC3)CCC1	2255280919	DGKVBOHBUMFHPG-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)c1csc2ccccc12	2298938840	JIZYVWGVMWIZFV-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
CCC(CC)CC[C@](C)(CO)C1CCCCC1	2300689282	WLKXRKLUGUYERM-MRXNPFEDSA-N	240.431	4.782	0	10	BJAE	
CCC(C)=CCC1(CNC(C)(C)C)CC(C)C1	2300862615	GKYSHEBLDUNIEC-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1CC=C(C)CC	2300896438	IJORJBDQDHBCLN-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N[C@@H](C)C1(C)CCCCC1	2301708559	VQSPEXRILGQZHC-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](N)CCC1CCCCC1	2301954227	XZMWZUBDLJGMGP-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@@](O)(CCCC2=CCCCC2)C1	2302362482	ZLXNQQYTOSHMQK-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1NC[C@H]1C[C@H]1C1CCCC1	2302888498	ZLDMYQDKWDMTNP-KGLIPLIRSA-N	249.423	4.549	0	10	BJAE	
CC[C@H](c1nc([C@H]2CC23CCC3)cs1)C(C)C	2304489419	FOOFEEUQZLTBOK-NWDGAFQWSA-N	249.423	4.950	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)c1cc(C)ccc1C(C)C	2307505219	ICEOECKZUXMCPI-MLGOLLRUSA-N	233.399	4.554	0	10	BJAE	
CCC[C@@H](CC)CC(C)=CCCNCC(C)C	2307823824	PSKCVGGERQKETE-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC(C)(C)C[C@@H]1C	2307824942	YQNSMBVNQBRODA-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@](N)(C[C@@]12CCCC[C@@H]1C2)[C@@H]1CC1(C)C	2311148228	SGUQPZQBYITRII-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C[C@@H]2CCC[C@H]2C)C=CCC1	2312612732	GIRQDLPEAWBWMD-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)C[C@@H]3CCCC[C@@H]32)C1	2312674966	UYONACZTPVZHJA-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(CC2CC2)CC2CC2)C1=O	2313605552	HTUZSOVLKXBKRS-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CCC(C)=CC[C@@](C)(O)c1ccc(C(C)C)cc1	2316510957	PYFKKQWWOUSTGZ-QGZVFWFLSA-N	246.394	4.764	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316879652	GHUOCNVYKVWQBS-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
NC1(CC2CCCCCC2)CC2(CCCCC2)C1	2316884211	GQCUCGXGFMYJNF-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CC1(C)CC=C([C@@H](N)CCC2=CCCCC2)CC1	2317907981	UYIDWUNNUPZQCK-INIZCTEOSA-N	247.426	4.731	0	10	BJAE	
C[C@@H]1[C@H](NC2CC3(CCCCCC3)C2)CC1(C)C	2318182130	JSVCIXGHGKOEJC-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1[C@@H](C2(N)CCC3(CCCC3)CC2)CC1(C)C	2318254069	KDMCQLNHLQZMFD-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(F)c1NCCCC1=CCCCC1	2318567902	HFNVWEQTKNWNQM-UHFFFAOYSA-N	247.357	4.827	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCN(C)CCCC1=CCCCC1	2318568738	MJCYHHZOKOWEBW-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)CCCC2=CCCCC2)C1	2318573666	VBKPMPUTKCNNED-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1CC[C@H]2C[C@H]2C1	2318581476	XAXAHTJJGVUHOV-XHSDSOJGSA-N	246.394	4.662	0	10	BJAE	
CC(C)C1(C(=O)CC[C@H]2CC[C@@H]2C2CC2)CCC1	2319734584	QVPQYXJKXSGHKU-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(N)CCC=CCCC1	2320323404	XKHWSTSGTBOBCF-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C(C2CC2)C2CC2)CC1	2320417212	SAGNAOYXNMCODU-ZDUSSCGKSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@@H](C)CC2CCC2)c1	2320525660	PRDPMCUUAFNPHB-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CC[C@H](C(C)C)C2)c1	2321089040	HYHJVDOSWOEHAD-ZFWWWQNUSA-N	249.373	4.625	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2321627260	YCRGSAPSUHDNGH-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
CC(CCC(C)C)=C1CCC([C@@H]2CCNC2)CC1	2327905537	NASJYXSWQLOIJY-ZYMOGRSISA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](CC)CSc1ccccc1N	34321496	PDUWXIGRCDIOMJ-LBPRGKRZSA-N	237.412	4.577	0	10	BJAE	
CCc1cc(Cl)c2cc(C(C)C)ccc2n1	36912944	OYANLYABQLAORZ-UHFFFAOYSA-N	233.742	4.574	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)c1ccc(C)o1	36960125	ZIGBLTLTZNBUKN-TZMCWYRMSA-N	237.387	4.598	0	10	BJAE	
CCCCCCOc1ccc(C(=O)CCC)cc1	39218668	PHRXOHROYFPVJF-UHFFFAOYSA-N	248.366	4.629	0	10	BJAE	
CCc1ccc(CC)c([C@@H](NC)C(C)(C)CC)c1	70440558	GNOOCMSETCPCNO-MRXNPFEDSA-N	247.426	4.508	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](CCC)CCC1=O	71083874	FFUPTYJDQVYKOC-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](C)CNCC(C)C	84141124	JFXZPHJDXHMQJX-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC(C)CC1(CN[C@H](C)c2ccoc2)CCCC1	94873537	UFMRMUASSXFXBY-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccc2ccccc2c1	103944571	HRZXUGXJUHVGCP-CYBMUJFWSA-N	240.346	4.849	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(C(C)C)cc1	104152801	QULZNFBWDGZHNT-INIZCTEOSA-N	233.399	4.780	0	10	BJAE	
CC[C@H](C)c1ccc(-c2ccc(N)s2)cc1	105877017	CWRLZJKSIAUEGB-JTQLQIEISA-N	231.364	4.511	0	10	BJAE	
C/C=C\[C@@H](C)Cc1ccc(Cl)c(Cl)c1	107563155	KBLQODUXSDVOOC-ZBJFTSOASA-N	229.150	4.748	0	10	BJAE	
CC(C)Cc1ccc(-c2ccc(F)cc2)cc1	112732727	QPNHGHPLJCMMEU-UHFFFAOYSA-N	228.310	4.691	0	10	BJAE	
CCCCC[C@H]1C[C@H](C(C)C)CC[C@@H]1NCC	112872319	YTCMPJXQUVGGKD-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1coc2ccccc12)C(CC)CC	122996611	ZLUXAQGBVUEJTA-INIZCTEOSA-N	245.366	4.520	0	10	BJAE	
Cc1c(F)cccc1NCCC1CCCCC1	125088184	WYCIHSUJDZGQGO-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCc1ccc(Cn2ccc3c(C)cccc32)cc1	128859924	XWISIMCNHKABQV-UHFFFAOYSA-N	249.357	4.560	0	10	BJAE	
CC(C)c1cnc([C@@H]2CCC[C@H](C)C2)s1	132188169	KOOKNCOYOSTHPZ-WDEREUQCSA-N	223.385	4.560	0	10	BJAE	
CCCN[C@@H](CCC)c1cccc(CC(C)C)c1	165743809	WWJNMESSBKWYRA-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)[C@@H](C)CC	233175824	HSBSLFDSSVXAJG-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
C[C@H](c1c[nH]c2ccc(F)cc12)C1CCCCC1	235084556	POSFYANGWXYCNG-NSHDSACASA-N	245.341	4.991	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1[C@@H](C)CCC[C@H]1C	250841277	XVQKMAGDYWOSMJ-QXSJWSMHSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C[C@H](C)CC)CC1	251349410	NNAFXUFWQFYDPT-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H](C)CC(C)C)CC1	251397660	VGFKLMZLTXGMMJ-OAGGEKHMSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H]2CCC[C@H]2N1	300117795	WKYKHCBGQJEHGI-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1N[C@H](CC(C)C)c1ccccc1	300584528	NBEQUUFTMROCCP-ZACQAIPSSA-N	245.410	4.552	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@@H](C)CC(C)C	302294480	GRSJONDPTNBKRI-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@@H]1CCC[C@@H](C)C1	302375755	MGKIINUXDLDQNS-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H](N[C@H](C)CCC(C)(C)C)c1ccsc1	304448049	WXKHTLNQLYWPHM-NEPJUHHUSA-N	239.428	4.614	0	10	BJAE	
CCc1ccc(NC[C@H]2CCC[C@H](C)C2)cc1C	305947787	CIHSRTLYPAVJKU-ZFWWWQNUSA-N	245.410	4.796	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1ccc(CC(C)C)cc1	305975913	HGSAMBHTIZRGQJ-YOEHRIQHSA-N	247.426	4.711	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1c(C)cc(C)cc1C	308024148	MDLYRJSUEBPVBN-DOTOQJQBSA-N	248.410	4.718	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)C)C1(CC)CC1	310262350	GOKPKFPIYVUFIY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C[C@@H](N)C[C@H](C)C(C)(C)C)CC1	310530432	PVSKPQHNWQQQKL-SHWKFHJASA-N	239.447	4.602	0	10	BJAE	
CCc1ccc([C@H](C[C@H](C)CC(C)C)NC)cc1	310576157	BGOJDUYCLZGUGF-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CC(C)Oc1ccc2c(ccn2C2CCCC2)c1	310594488	OIGUEVRYXUGHOX-UHFFFAOYSA-N	243.350	4.544	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC[C@H](N)c2ccccc2)C1	310744410	IKWKXNUJZBWBHX-VYDXJSESSA-N	245.410	4.683	0	10	BJAE	
CC(C)c1ccccc1[C@]1(N)CCCC(C)(C)C1	311071220	LSVMMAHXLPSENS-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC[C@H]1CCC[C@H](C(C)(C)CNC(C)(C)C)C1	317751395	ABVIPDRUVYNCHX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C1(CNC2CC2)CCCCCCC1	318435807	QZBDPVWVWAMVKQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCOc1ccc2c(ccn2[C@@H](C)[C@H](C)CC)c1	319573380	HLMXGQAXBHVKIG-OLZOCXBDSA-N	245.366	4.647	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@@H](C)[C@H](C)CC	320105647	QRYHRJFZYLELCK-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(N[C@@H]2CCCC23CCCC3)C[C@H](C)C1	328312100	XCWYSEUALFHXGJ-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@H](C)CC(C)C)CC1	379645982	YBEYVESBTBEOGP-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H](C)C1)C(C)(C)CC	380112763	ZXCRGEWMLXURFJ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)C)C1CCCC1	382681905	UFYBZBHHJJKVRA-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@]1(O)C[C@H](C)CC[C@H]1C	383586950	WZNXMKFWRTWLDJ-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](N)CC1CCC(C)(C)CC1	383674774	MVUVSWZDVVLKDX-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
C[C@H](C[C@](C)(O)C1CCCCC1)c1ccccc1	384330488	UHCICBBBRHNWJN-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
CCNC/C(=C/C1(C)CCCCCC1)C(C)C	394682082	ZYQNSOGLLWWTFA-QINSGFPZSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H](Nc1cscc1C)c1ccsc1	395726483	XLJRBCDSCAVMIR-LLVKDONJSA-N	237.393	4.681	0	10	BJAE	
CCc1sc2cccc(C)c2c1C(F)F	396237262	IXPNIUMKFDIFKC-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C[C@H](C)C1CCC1	398614366	LOGNIOBEOYSLCJ-IMJJTQAJSA-N	240.431	4.636	0	10	BJAE	
Cc1scc(C(=O)C[C@@H](C)CC(C)C)c1C	399942875	VCJUXOZOLBJKLY-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CCCC1CCC1	688413795	SWIBUIIVCXTRNV-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)c1ccc2nc(Cl)cc(C)c2c1	689768423	MRBUAUWWNKPPSB-SECBINFHSA-N	233.742	4.710	0	10	BJAE	
CSc1ccccc1N[C@H](C)CC1CCCC1	689838660	PQRRPKBYQQLUFG-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H](Nc1cccc(C2CC2)c1)c1ccco1	690170006	HVZNVGYYOZWCSG-OAHLLOKOSA-N	241.334	4.720	0	10	BJAE	
O=C(CC1CC=CC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	692094697	NLUTYHKFVUMXJM-BZUAXINKSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H](C)C1CCC1	692814018	SIGNUUNAOOUFEC-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCC[C@H]1C1CC1	695813852	ZBBGZADLIVBKTM-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CC(C)=CCCC[C@H]1CCCC1(F)F	698056151	VZCRFTBRFNUMJX-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
CCC(CC)CC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	699088990	WDRJUIPABJGYMY-WBMJQRKESA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C1CC(C)(C)C1	701460485	SSRUEECBOMJSDX-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@@H](C)CC(C)(C)C)c(C)c1	704726652	CABUCPKZFGDXOH-HOCLYGCPSA-N	247.426	4.684	0	10	BJAE	
C[C@](N)(CCC1CCCCC1)C1CCCCC1	704844943	HHPSCYAYIFRLOO-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@]1(C)CC1(C)C	705305935	KNYFLAXFEGEGOI-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)(C[C@H]1CC2CCC1CC2)C1CCC1	705380425	CKYDAEGTSSQCDL-BOXZVXIZSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(NCCCCC(C)C)c(C)c1	707377815	KHWUOCKREXEPGX-UHFFFAOYSA-N	233.399	4.850	0	10	BJAE	
C1CCCC(CCN[C@@H]2CC[C@H]3CCC[C@@H]32)CC1	707782200	ZQJKVWXFJGEGFO-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CCC[C@](C)(N)[C@@]12CCCC[C@@H]1C2	709260182	DWPWFLUAIVUHLQ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](Cn1ccc2c(F)cccc21)CC(C)(C)C	709265841	VZGRVHFQVFRSQC-GFCCVEGCSA-N	247.357	4.853	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)CC1CCCCC1	713042359	JDEVQEGRFGBLJE-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)c1cc(Cl)cs1	713267067	NHIBDSWZWIGQRI-JTQLQIEISA-N	246.803	4.507	0	10	BJAE	
C=C/C=C\CCC1(CNCCC)CCCCCC1	713721712	VSAWQMJFNDQSDZ-WAYWQWQTSA-N	249.442	4.849	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC2(C3CCC3)CCC2)C1	717884496	HRQKCZNLZILRKU-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)c1ccc(CC)o1	718634151	OBRQKXPNALSCOC-HNNXBMFYSA-N	249.398	4.629	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCCC2(CC2)C1	718775370	DTCAKXUYGJUDDV-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCCCC1(C)C	719288880	SMHHTQYQTCBFHR-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cccc(C2CCC2)c1	721702248	NKBMWCWTIZLQQV-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC(C)CCN(CCC(C)(C)C)C1CCCC1	1459431743	CKDSGMPDAXGJQB-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H](C)CC(C)(C)C	1900705783	WRPJFXXGYCHSMC-JSGCOSHPSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](CCCC1CCCCCC1)NC	1901061747	VWSBSEKLWDNNDJ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cscc1CC	1902381251	LBZNQIWQIOFNRD-QWHCGFSZSA-N	237.412	4.691	0	10	BJAE	
CC(C)=C(C)CCc1csc(C(C)(C)F)n1	1902461147	PKSOOVCBJFTLKE-UHFFFAOYSA-N	241.375	4.637	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(CCC)CCC1	1905452266	BYFCZWZJGLFMMW-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCC[C@@H]2C[C@H]2C)C1	1908544931	LRICCTCWUAYIRZ-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)CC1CCCCC1	1908552844	TYOLZMWSRIBWOL-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCC[C@@H]2C[C@H]2C)CC1	1908556575	RIKWQAWMKMOGLJ-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCCCc1cccc(F)c1Cl	1911783307	MYYCINFDVLLJHN-UHFFFAOYSA-N	224.706	4.544	0	10	BJAE	
CC1(CCC[C@H](N)C2CC3(CCCCC3)C2)CC1	1912638065	LULZDRMDUJNNHT-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1(N)CC2(CCCC2)C1)C1CCCCC1	1912730518	XTYRVTMTNLKVOV-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@]1(CNC(C)(C)C)C=CCC1	1916357402	VEKURTIBSUULDT-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc([C@](C)(N)C[C@H](C)CCC)cc1	1920481614	KJBDYDOFGSYDMH-RHSMWYFYSA-N	247.426	4.639	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)CC(C)(C)C	1925915881	RSJQNUPDUHNSHO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H](C)[C@H](C)CC	1926151090	AOHNJTAJTAMFMT-IJEWVQPXSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](C(=O)c1c(C)csc1C)C(C)C	1936211523	YDHMAWKJIRFCQN-GFCCVEGCSA-N	238.396	4.620	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CC1(C)CCCCC1	1940404976	DIQZVZPXWXOWQC-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2(C)CCCCC2)CC1	1940408292	SUHYTJXUCVTBDA-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CC)CCCC1(C)CCCCC1	1940410543	RTLDBUHBABYAGP-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC1([C@H](N)CCC[C@@H]2CC2(C)C)CCCC1	1940873076	BGAZMCHMXYVYIL-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC1(CCC[C@H]2CCNc3ccccc32)CC1	1940881221	DMZFQDZNSLSHKV-ZDUSSCGKSA-N	229.367	4.556	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H](CC(C)C)C(C)C	1942654918	DXSBWFHCXFCVHK-GJZGRUSLSA-N	240.431	4.946	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)([C@H](C)CCC(C)C)CC1	1942658070	OTCQDEMDSQSICN-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC[C@@H]2C)C1	1944798076	WWOHFNHQPHOCFU-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H]1CCCCC12CCC2	1947878059	DJSYMLGUBQESKZ-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCC(F)(F)CC[C@]1(O)CCCCCC1(C)C	1947888896	PINQCJSCXIUXGB-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCc1cccc(N[C@H](C)[C@@H](C)CC(C)C)c1	1948324336	YLKUYISYVNJWTM-UONOGXRCSA-N	233.399	4.732	0	10	BJAE	
CCCCCC[C@](C)(N)CC(C)(C)C(C)(F)F	1949015471	UIDXTBKVHRHVLW-ZDUSSCGKSA-N	249.389	4.746	0	10	BJAE	
C[C@@H](C[C@H](N)C1(C)CCCCCC1)C1CCC1	1949035729	XWKSQKKXGIGQAX-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)C[C@@H](C)CC(C)(C)C1	1949046077	AMKPOLHGOFTTSN-BBRMVZONSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C2CCCCCC2)CC1	1950931473	XCMSHRCNTGKTAF-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)c1nc(C(C)C)cs1	1956204069	QFVOYDDFWUGKSF-JTQLQIEISA-N	211.374	4.560	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2C=CCCC2)c(C)c1	1962723764	VMTDQRNELSFAJP-OAHLLOKOSA-N	242.362	4.541	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1C[C@H](C)CC(C)(C)C1	1964577430	OVDUEBGZTVEAEN-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H]2CC(C)C)c1C	1968249617	DMTVDYOBQLQUAA-GOEBONIOSA-N	231.383	4.540	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1cccc2c1CCCC2	1968321360	BFJPVWPTTVBVFO-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCCCC2(C)C)C1	1969954326	LRMWLJICFHXYGS-YMAMQOFZSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1C[C@@H](NC2CC3(CCCC3)C2)CC(C)(C)C1	1972916893	LVZHKJGUGKBJKV-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CCC(=O)C1(C(C)C)CCC1	1978427989	DDKKCBKDNGENAN-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CC[C@](O)(CC)CCC(C)C	1986937744	KNXMNKBUIGJAQK-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CCCCC[C@H](N)CC1(C(C)(C)C)CCC1	1989466511	ZRPNSQIIZOMTPV-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
c1cc(N[C@@H]2CCC[C@@H]3CCCC[C@H]32)cs1	1993370164	VSEZERWXLGCWMC-IACUBPJLSA-N	235.396	4.519	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@H](C)C1(C)CCCCC1	1995975820	RFPWZHBRCWRSFY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@@H](C)C1)C(C)(CC)CC	1996273558	UQLGZECNIAEOMA-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC[C@H](C)C(C)(C)C	1998381428	WLCMWMBVCCCCIC-KBPBESRZSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(CCC(C)(F)F)CNCCC	2000523979	UMEWAMDHJDXMNT-ZDUSSCGKSA-N	249.389	4.618	0	10	BJAE	
CCCCCN(C[C@@H]1C=CCCCC1)C(C)C	2000908503	YZMTURYCTGEUEW-MRXNPFEDSA-N	237.431	4.633	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@@]1(C)CC=CCC1	2001659951	RNZRMDDDKFJIMB-OAGGEKHMSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)CC2(C)CCC2)C1	2003016010	GHCPMRWGRAGBKG-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CCCCCC[C@@H]2N)C1	2003100134	PCDWLXBVJHDKBA-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@H]1CCCC2(CC2)C1	2003218561	RVVAMDSAJMTCGL-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@]2(C)C=CCCC2)C1	2003323780	GGOFZGHLIJSOKX-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C)[C@]1(CNC(C)C)CCCCC1(C)C	2005598531	WCCZMJDRCFJHTM-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@]1(CNC(C)(C)C)CCCCC1(C)C	2005599592	ZGILSOPOZZULFG-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H]1CCC[C@@H](C)CC1	2007865180	YIBHQAOGNRNPEZ-KBMXLJTQSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C[C@@H](O)C=C1CCCCC1)CC(C)(C)C	2007924114	XUFBBQBZOAJJQU-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
CC=CCCCC(=O)C1(CC(C)C)CCCC1	2009567174	NOCQLEFYTPVNIG-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CC=CCCC[C@@]1(CNCCC)CC[C@@H](C)C1	2009618194	ZYJORSVIIGWRNV-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCCCC1CC(N)([C@@H](C)CCC(C)C)C1	2009792467	ZPRDUACUUWYACY-FHERZECASA-N	239.447	4.747	0	10	BJAE	
CCN[C@H]1C[C@@H](CCC(C)(C)C)CC(C)(C)C1	2012063854	SRECTCPIFSEENL-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CC(C(C)C)C(C)C	2015277918	KNAIGSCYIGKELX-GDBMZVCRSA-N	242.447	4.882	0	10	BJAE	
CCCNCC[C@H](C)CCC(C(C)C)C(C)C	2015343959	HRWJLDCAXUWDAJ-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
CC(C)C(CCC[C@@H](N)C1CCCC1)C(C)C	2015359891	YLIBXAVWIKBBMH-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)CC1(CCC)CCC1	2015634632	SJBGBMUYSASGCD-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@]2(C)C[C@H]2C)CC1	2016417255	IJWZIXXBCJIHBY-HGTKMLMNSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1cccc2sccc12	2016832624	YUGIDFWIPXMLDI-QWRGUYRKSA-N	244.359	4.520	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C[C@H]1C[C@H]1C)NCC	2016852873	URXRWPPOVVKNJL-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@]2(O)CC[C@@H]2CC)CC1	2017655708	FULPZXMYOKDBHU-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@H]1CC[C@H](C)CC1	2017723826	VODQTEWVHUZTFI-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@]2(C)CCCCCN2)CC1	2017731320	QCJWUYVYHNDZKD-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](CC)c1occc1C	2018082830	MMUOERGFSCORAY-KBPBESRZSA-N	237.387	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)C1CCCCC1	2018139582	SWPUMWHOXZWOQL-GDBMZVCRSA-N	239.447	4.904	0	10	BJAE	
CCCC1(CN2CCCCCCCCC2)CC1	2018954214	DCTUMLQLAVYBHY-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
CC(C)CCCCCN(C)C[C@@H]1CC[C@@H](C)C1	2019343119	WBBRRESBNRJANK-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
CC(C)[C@H](C)N(C)[C@@H](C)[C@@H]1CCCC(C)(C)C1	2019383962	FXSUYMCPSDXYSC-SOUVJXGZSA-N	239.447	4.568	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)CC=C(C)C	2023326913	HDEYOABVPNEAPH-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NC)C1CC(CC)C1	2026143277	KLAKMLPNHHDWOK-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H]1CC=CCC1	2026167060	OMLUAKVANFDAEV-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCC1CCCC1	2026167346	QOAUETIESUEVCR-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCNCC1(CC2(C)CCCCC2)CC=CC1	2027307217	SZAKTHHCIBGDFA-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)(CNCCC[C@@H]1CC1(C)C)C1=CCCC1	2027855575	PVWCGEOYPLSTFK-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)c1ccc(C2CC2)cc1	2028603756	AHPJBXLVIUROOV-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@@H](CCCCCC1CC1)[C@H]1CC12CC2	2028635175	XVTFJAQHRGUFOE-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@@H]3CCCC[C@H]32)CCCCC1	2028788371	YQFGDTZQIFOPBT-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
CCCNC[C@@]1(CC2(C)CCCC2)CC12CCC2	2032135350	MVQFDGIVFIYAPT-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1(C)C(Oc2cccc3ccccc23)C1(C)C	2034042212	IWRSCKHDDLVFTG-UHFFFAOYSA-N	240.346	4.653	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CCCC2(CCCC2)C1	2034363807	OVGZTXFEQIHEAO-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NC1CC(C2CCCC2)C1	2035402128	BKRFAXFVIKBKSP-ZGRYLRDCSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1c(C)cccc1CC	2035425899	TZLPVNXTCNSEEY-JKSUJKDBSA-N	245.410	4.938	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@](N)(CCC1CCCC1)C2	2036659327	BHLRNGUXJVHGKT-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1c(C)oc2ccccc12	2037093967	XQCZHHIPNFJXEL-FZMZJTMJSA-N	245.366	4.567	0	10	BJAE	
O=C(CC1CC2(CCC2)C1)C[C@@H]1C=CCCCC1	2037976024	FPESYTOFILXRON-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)CC1CC2(CCC2)C1	2038084429	ZICQOQYPSDDZTO-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCCC[C@@](C)(O)c1ccccc1	2038167610	NNSGOZGIHPQBGN-QGZVFWFLSA-N	248.410	4.891	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@H]1CC12CCCCC2	2039012530	PYENBYWPRXOPKV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H]2CCC[C@H](C)CC2)c1	2039377640	VUWNCCJYAZYZNG-SWLSCSKDSA-N	244.378	4.703	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C2CC3(CCC3)C2)CC1	2039379370	ZDMQYGWMEGRVLZ-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](c1ccoc1)[C@H]1CCCC(C)(C)CC1	2039380303	HNDRGEZVSLFKRB-DZGCQCFKSA-N	249.398	4.537	0	10	BJAE	
CCC1(C)CC(CN[C@H]2CCCC3(CCC3)C2)C1	2041296936	QQHSLUFGFIPBOX-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CC1(CNC2[C@H]3CCC[C@H]2CC3)CCCCCC1	2042020896	BSKSXLDBSHMOHF-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@@H]1C=CCCC1	2043186122	BVYOJOTWDKLZKE-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
C[C@H]1C[C@H](N[C@@H]2CCC3(CCC3)C2)CC(C)(C)C1	2043609190	XNTGPTSQQKAUIJ-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CCC(C)(C)C1CC1	2045680933	QTMIEUNYPBBLAQ-BBRMVZONSA-N	248.410	4.764	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2046490598	OAJNNLMWBRAYBN-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N1CC[C@@H](C)c2ccccc21	2046578644	FYNIFZURINLBGX-YCPHGPKFSA-N	243.394	4.579	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC[C@]2(C)CC=CCC2)C1	2047716347	SZECZGBMYHFSMO-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@@H]1CCC12CCC2	2047931905	IZASHPYGEVUCPL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CC[C@H](C)CC2)cc1	2049638468	PDZRSOPPJVHBOR-CTYIDZIISA-N	244.378	4.819	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2CCC3(CC3)C2)C1	2049947713	IZTYHNAHSCOZSN-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@H](COc1cccc2c1CCC2)CC(C)(C)C	2050412223	ONVWTLVGHYBHPR-ZDUSSCGKSA-N	246.394	4.626	0	10	BJAE	
Cc1cccc([C@H](O)CCCC2=CCCCC2)c1	2050439933	DKOZWCXLVGIBGF-QGZVFWFLSA-N	244.378	4.699	0	10	BJAE	
Cc1ccc([C@@H](N)C2(C)CCCCCCC2)cc1	2052475896	PUBFEXXZDSYRGO-MRXNPFEDSA-N	245.410	4.745	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@H]1CCCCC12CC2	2053410854	HDASLELZMRREIA-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(CC)c1N[C@@H]1CCCC[C@H]1F	2055159827	OBCBAHGQYCYKEI-HUUCEWRRSA-N	249.373	4.504	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@@H]1CCC[C@@H]2C[C@H]12	2057367385	ZNVWOYRNJSBBCY-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](NCC1(C2CC2)CCCC1)C1CCCC1	2057649790	YERPDZKQTLJKBK-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCC(=O)C12CC3CC(CC(C3)C1)C2	2059204572	XUJKTDKYTGZEIT-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
CCCC1CCC(NCC[C@]23CCC[C@@H]2C3)CC1	2061570968	HENSPTFROGYVMO-MYBQVCMBSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(NC[C@H]2C[C@@H]3CCC[C@@H]3C2)c1	2063471752	OPBDKOBDRLYXFC-PHZGNYQRSA-N	243.394	4.542	0	10	BJAE	
CC=CCCCNC(C1CCCC1)C1CCCC1	2065936397	DXRZYUNAUKLLOG-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@H](NCC2(CC3CCC3)CC2)CC1	2069580117	HHIIDRAVTMOHMC-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1CC(=C2CCC2)C1	2070402473	HVAZJHIZIQWOIF-AWEZNQCLSA-N	247.426	4.601	0	10	BJAE	
CCCC1([C@H](C[C@@]23CCC[C@H]2C3)NCC)CCC1	2070874143	HBFLQVCONNXXPN-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1(C(C)C)CCC1)[C@@]1(C)C=CCCC1	2071947042	WUXCYMLRNHRQHN-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@]23CCC[C@H]2C3)CC1	2072680991	CTLXIXCTMJJFMC-QBYUYEEZSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(N)CCCC[C@H]2C2CC2)CC1	2072797292	XYDSXQMDQMYUDM-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCC(C)(C)NC2)CC1	2072808559	HDXFZNUCHANFPU-SHTZXODSSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(C=C(C)[C@@H]2CCCCN2)CC1	2072816403	UYRPZDZBULMRRG-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@](O)(CC)Cc1ccccc1CC	2073346219	LOIDJTNXFWHJLT-KRWDZBQOSA-N	248.410	4.513	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CC[C@H]2C2CCCCC2)C1	2074888734	MNZDFEJXQHANPF-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CCCC[C@@H](CC)N(C)Cc1ccccc1CC	2075208417	VCWPLABYZKKTBR-QGZVFWFLSA-N	247.426	4.650	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H]1CC[C@H]2C[C@H]2C1	2076585793	JJUMOQXQGVWFLN-YQQAZPJKSA-N	249.442	4.610	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]2C2CCC2)CCCCCC1	2079327106	DSVMKIMIMWIMOF-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CCCC1(CN[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079526378	FFTKVQKRZPYUNS-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1C(=O)C[C@H]1C[C@@H]1C1CCCCCC1	2079840689	DLQBSQRPXIWYLD-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1	2081141207	ORFKSGOXTVFOTI-DJIMGWMZSA-N	243.394	4.766	0	10	BJAE	
CCNC[C@@]1([C@@H]2C=CCC2)CCCC(C)(C)CC1	2081681721	DQELHXFSRMKXKL-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)c(C)c(CNC(C)(C)C(C)(C)C)c1	2082906287	VCDRHNAZQZZXFO-UHFFFAOYSA-N	247.426	4.526	0	10	BJAE	
CCC(C)(C)CCNCc1cc(C)cc(C)c1C	2082906880	BETNITUAWHJIIK-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)CCCC2CCC2)c1	2082941929	LPFAJEZAMPPPCC-KRWDZBQOSA-N	246.394	4.616	0	10	BJAE	
CC=C(CC)c1ccc(F)cc1[C@H](C)NCCC	2084709493	KSPJVQNMXDITQL-LBPRGKRZSA-N	249.373	4.700	0	10	BJAE	
CCCc1ccc(N[C@H]2CC[C@H](C(C)C)C2)cc1	2085240337	UENVDLHFAWIZNP-RDJZCZTQSA-N	245.410	4.876	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@H]3CCC[C@H]2C3)cc1C	2086172188	UZAJSTLYWWXPHA-JLJPHGGASA-N	243.394	4.548	0	10	BJAE	
c1ccc(-c2cccc(N[C@H]3C[C@@H]4C[C@@H]4C3)c2)cc1	2097006515	HTZTZNHILAFVJC-ALXJQNPVSA-N	249.357	4.564	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)C1CCCC1	2213573685	KQEQAIFBNDHRGE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@H](CC)C(C)C	2214582672	NBTUCUDHUNIZBC-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CCC[C@H](C(C)(C)C)C1	2216253983	WMQUUUYVLKOWOF-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H]([C@H]1CCC[C@H]1C)C(C)(C)CCC	2216279857	QDDFXTTYNSSPMR-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)(F)F)C(C)(C)CCC	2216285206	JHPPXWGRGILRQB-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1C[C@@H]1C[C@H](O)CCCCCCCC1CC1	2216861415	GIHKSJYEWAIZIU-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
O=C(CCCCCCCC1CC1)CCC(F)F	2216862966	MQIGMVRLSQYYHE-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CC[C@@H](C)NCC1(CCCC(C)C)CC=CC1	2217129392	NQHMHTGCSFUHOK-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@@H](CCC(C)(C)C)C1CCC1	2217158091	YHYCWFODGICNRR-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
N[C@@H]1CCCC[C@@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218361192	KZBXZQVWPRRRMS-BQJWPVKWSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cc(N[C@H](C)CCC(C)(C)C)ccn1	2220902217	OYFDMKFPWDPQAS-CYBMUJFWSA-N	248.414	4.832	0	10	BJAE	
Cc1cc(NCC2(C)CC3(CCC3)C2)ccc1F	2221026758	ZEGJCURNOHXSOU-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
Cc1cc2ccccc2n1CC1(C)CC(C)(C)C1	2221085368	DWMJKBYTYGUNHR-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
CC1=CC[C@](C)(CNCCC[C@@H]2CC2(C)C)CC1	2221645153	WGWAZJSPVDYTEV-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCNC[C@@]1([C@H]2CCC(C)(C)C2)CC=C(C)CC1	2221668210	OEAAIGUMBFWXKJ-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
C[C@]1([C@@H](N)CCCCCCCC2CC2)C=CCC1	2223110223	NEQVZEUTOHALSN-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
Cc1scc(C(=O)C2(CC3CCC3)CC2)c1C	2246415218	CBKOBVBKTRNIPP-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)CC[C@H]1CCC[C@H](C)C1	2246662796	ICQNEWPGVMCORB-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(C)c(NCCCC[C@H]2C[C@@H]2C)c1	2247116227	NWRGRGAAMNCSGV-GJZGRUSLSA-N	231.383	4.542	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1CCC12CCC2	2247302008	APTDPMSWBFJOMV-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCC(C)(CC)[C@H](N)CCCCC[C@@H]1C[C@@H]1C	2248808357	RBTXOHDLQSNVPH-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](O)CCC(C)(C)C	2248810387	YSIGLBACUCBOAJ-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CCC1([C@@H](N)CCCCC[C@H]2C[C@@H]2C)CCC1	2248842659	RSBPOLHBHJFPMW-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCCc1ccc(NC[C@@H](CC)CCC)cc1	2250390047	OUICZKLCNBZIAU-AWEZNQCLSA-N	233.399	4.877	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)[C@@H](C)C(C)C	2250467172	OGHDRCLUTBKZBA-HOTGVXAUSA-N	241.463	4.815	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1NCCC[C@@H]1C	2250477046	SQJISGLSSNZRSC-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@@H](C)C1CCC1	2250489487	ZIKWDVJNVODUKO-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251707151	KXZDWLAVMVEIIE-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
Clc1cccc2ccc(CC3=CCCC3)nc12	2252701179	NRTAUSVXGZZBDL-UHFFFAOYSA-N	243.737	4.541	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccc2ccsc2c1	2253062703	RVYIJMQOCLZLDY-NHYWBVRUSA-N	248.391	4.761	0	10	BJAE	
CCN[C@H](C[C@H]1CCCCC12CC2)C1CCCC1	2253816096	JMBJGDAGIVIBNM-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C1CCC1)[C@@H](N)CC[C@@H]1CCCCC12CC2	2253844359	QYYIZXUSSJUMGB-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@@H]1CCCC12CC2	2255247829	SHPQEHNVJPCECS-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N(C)CCCCC[C@@H]2C[C@H]2C)cc1	2257291535	QJNVZSBTFAOKAU-HZPDHXFCSA-N	245.410	4.648	0	10	BJAE	
Cc1cccc(NCCCCC[C@@H]2C[C@H]2C)c1C	2257318587	DVMAVRAMSAGTEY-GDBMZVCRSA-N	245.410	4.932	0	10	BJAE	
C[C@@H](Nc1cccc(C(C)(C)C)c1)C1CC=CC1	2257959808	VQRZHXLNZONMTB-CYBMUJFWSA-N	243.394	4.751	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCNC12CCC2	2259677395	CRCJOSYBBZTVMZ-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
O=C(CCCCCC1CC1)[C@]12CCCC[C@@H]1CC2	2260511835	KNTSENZWLCYVMU-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
Cc1ccc(C(=O)C[C@@]23CCCC[C@H]2CC3)cc1	2260567758	RAEAFUHOSCGTFS-RDJZCZTQSA-N	242.362	4.538	0	10	BJAE	
CCC1([C@H](C[C@]23CCCC[C@@H]2CC3)NC)CCC1	2260599910	DXDXMKYATSQCST-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CC(C(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2260626005	PYUFQJRYFZKBHI-BOXZVXIZSA-N	248.410	4.598	0	10	BJAE	
CCNCC1(C[C@]23CCC[C@@H]2CC3)CCCCC1	2260651677	MNSAMGFKLUNVFJ-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](C)C[C@](O)(c1ccccc1)C1CCCC1	2263751609	XMIXJDTWRQWBHZ-PBHICJAKSA-N	246.394	4.501	0	10	BJAE	
CC(C)=CCCC(C)=CC[C@H](N)C1CCCCC1	2294708075	TYKZEBDQWJLYGF-KRWDZBQOSA-N	249.442	4.977	0	10	BJAE	
CCCC(O)(CCC)C(CC1CC1)CC1CC1	2298845515	QVTQPUYIDZYPMS-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C1=CCC(C)(C)CC1	2300505701	PARGJJJJIAXVCB-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CC1(CC[C@@H](O)CCCC2=CCCCC2)CC1	2302346532	HYRKGDSDXJJFIM-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)C[C@@H]1CCC(C)(C)C1	2302676831	YOBBKNKDRYCGGZ-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(=O)C[C@H]1CCC(C)(C)C1)C(C)C	2302880243	KJYYTRRCVZKFQC-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CCCC1(C)CC1	2303260683	WMCZHWCLDFXJIC-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@@H]1CCC(C)=C(C)C1	2303597965	WYUNIMGXMXPFIJ-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CC(C)c1cccc(C(=O)CC2(C)CCC2)c1	2303708064	DVACSXVKAKNRGZ-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H](CC1CC1)C1CC1	2303781520	QJPVPZHFFZISMI-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc([C@H]2CCCC23CCC3)n1	2307692996	JPFODYFUDILILS-IJLUTSLNSA-N	247.407	4.704	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(C)(C)CC[C@H]1N	2307905769	ZEVVWKXKTXRVDQ-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H](CC(C)C)C(C)C	2307905776	ZGADMNQSFHHCIG-HRCADAONSA-N	241.463	4.848	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2308394345	BCGKUMNRLCUXMU-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CC[C@@H]2C2CCC2)CC1	2310981753	SUHXDOHUPQLZIY-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](C[C@@H]2C[C@H]2C2CCC2)C1	2311478759	YHWJPQFNYPXALP-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@@H](NC)c1cc(C)cc(C)c1	2316247553	FZPOMBGEINAVHD-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316744277	MQUKPDMCKAHUJO-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316870967	WIFGVCHUVCPNLQ-VIQHNZTISA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1CN[C@@H](C)[C@H](C)C(C)C	2317657457	COZUCLWWNOMCNC-CABCVRRESA-N	247.426	4.580	0	10	BJAE	
CC(C)C1CC(C[C@@H](N)CCC2=CCCCC2)C1	2317905996	CTUBJGWXMXIYRB-JCYILVPMSA-N	249.442	4.667	0	10	BJAE	
Cc1nc(NC(C)(C)CC(C)C)ccc1C1CC1	2318215779	WXTMVXRBTDUNRX-UHFFFAOYSA-N	246.398	4.504	0	10	BJAE	
C[C@@H]1C[C@H]([C@H]2CC(C)(C)[C@@H]2C)Nc2ccccc21	2318249378	WQTVGBIVYQJSFC-UNIGVISCSA-N	243.394	4.657	0	10	BJAE	
CCOc1ccccc1CCCC1=CCCCC1	2318573885	XIKWJNVPCUEGGH-UHFFFAOYSA-N	244.378	4.908	0	10	BJAE	
COc1cc(CCCC2=CCCCC2)ccc1C	2318574499	ZRLSSTIPMUFFGI-UHFFFAOYSA-N	244.378	4.827	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)C1CCCC1	2318576347	OCGAYALGOBUQKC-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC[C@H]2C(C)(C)C)c(F)c1	2320252555	BDMDCHBUORJHKA-QWHCGFSZSA-N	249.373	4.618	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@@H]1CCC12CCC2	2320258822	PBMUCXNMPMATFM-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)c2ccc(C)cc2)CC1	2320334984	AGCNOFITMULHHU-WBVHZDCISA-N	243.394	4.521	0	10	BJAE	
CC1=C(C)C[C@@H](CNCC2CCCCCC2)CC1	2320424427	RKGFSSXFRZIVJU-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CC(=O)C[C@@H](C)C2)c1	2327780521	CLARNPFBYQCPCL-KBPBESRZSA-N	244.378	4.591	0	10	BJAE	
CCC[C@H](C=C1[C@H](CN)CCCC12CCC2)CC	2328085267	MENABJUZYJHHOB-CABCVRRESA-N	249.442	4.668	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)C1CC(=C2CC2)C1	2328277161	TVZGKCPCOWSNBV-DYVFJYSZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](Nc1ccccc1C)c1ccccc1	21031281	XREUBZFZQXGMBZ-KRWDZBQOSA-N	239.362	4.948	0	10	BJAE	
CCCCCN[C@H](c1ccc(CC)cc1)C(C)C	21519797	WOYYRGAOJDVNEQ-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1ccccc1C(C)(C)C	36956482	AOXZXQBPHKEOTE-DZGCQCFKSA-N	245.410	4.975	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)c1cc(C)cc(C)c1	68848738	OSLYIUFJGGHOJF-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@@H](O)CCC	70774863	FYJYVGVLLYDFEK-KGLIPLIRSA-N	214.393	4.534	0	10	BJAE	
CCCN[C@@H](C)CCCc1ccc(C(C)C)cc1	80393634	QGRDEDYBDZORFY-HNNXBMFYSA-N	247.426	4.521	0	10	BJAE	
CC1(C)C=C(c2ccccc2)CC(C)(C)C1	83406851	FFVABMFJEMVNHG-UHFFFAOYSA-N	214.352	4.916	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2ccc3ccccc3c2)[C@@H]1C	86078867	QNRFIHJIJCXVOQ-OGHNNQOOSA-N	239.362	4.686	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H](CC)CCCC	87649088	UGALIDHAHOXACY-LSDHHAIUSA-N	228.420	4.924	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Sc1ccc(N)c(C)c1	91938749	WICUCNOYJBTWFU-SWLSCSKDSA-N	249.423	4.638	0	10	BJAE	
CCCC[C@H](CNCC(C)C)c1ccc(C)cc1	93138186	YJGIDLIIVSYMCS-QGZVFWFLSA-N	247.426	4.514	0	10	BJAE	
CCCCCCn1c(=S)[nH]c2ccc(C)cc21	94660359	NGUJNXPQYBTVNP-UHFFFAOYSA-N	248.395	4.588	0	10	BJAE	
CCC1CCC(Nc2ccc(F)c(C)c2)CC1	103970167	PDQLVZIFTCSMLM-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCCOc1cc(C)ccc1NC[C@@H](C)CCC	109909775	BOJDCNNMXASJLW-AWEZNQCLSA-N	249.398	4.632	0	10	BJAE	
CCOc1cccc(NC2CCCCCCC2)c1	109911958	LEIRZXYZEZEGEG-UHFFFAOYSA-N	247.382	4.610	0	10	BJAE	
CCCC[C@@H](CC)CNc1cccc(C)c1C	110159187	AAXSQUDOGOVDNY-OAHLLOKOSA-N	233.399	4.932	0	10	BJAE	
CCCCCC[C@@H](C)NC/C=C/c1ccccc1	110166340	QBTDRKKELANOLK-HFQYIWAZSA-N	245.410	4.648	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CC(C)(C)CC[C@@H]1N	131637935	RYMBDJKSZYGHGY-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
c1cc2[nH]c1CCCCCCCCCCC2	146730431	VROCDGMBHFCKRF-UHFFFAOYSA-N	219.372	4.624	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@H](C)c1ccccc1C	148411476	LULNWQGFXXUKLY-HLLBOEOZSA-N	245.410	4.614	0	10	BJAE	
C[C@H]1CCC[C@@H](N[C@@H]2CCCC(C)(C)C2)CC1	149462889	JUHKDUJJIMDERQ-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H]1CCC[C@@H]1CNCC(C)C	155485072	XFBHPDGFDBEBPQ-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)CC1CCCCC1	161314716	MTCMYVXNINZOFY-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCc1cccc(C(O)(CC(C)C)CC(C)C)c1	165349217	ALNRAOTZCQMFFX-UHFFFAOYSA-N	248.410	4.529	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CCCC(C)C)CC1	165689737	ZNCANAWMJSQCNT-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CCCCCC[C@H](O)c1cc2ccccc2s1	168236535	KWIFXUSGBOOZGZ-ZDUSSCGKSA-N	248.391	4.905	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2CCCCC2)C1	203537759	VXGGIVLWUIPQKP-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC1(C)[C@H]2CCCCCCCCCC[C@H]2[C@H]1O	225159213	HPYZGZBIZRWWQQ-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)c1nc2c([nH]1)C[C@H](C)C[C@@H]2C	227611244	BYZITFSINLZKDK-AGIUHOORSA-N	248.414	4.779	0	10	BJAE	
CCCCC1CCC(C(=O)[C@@H](C)CCC)CC1	232921079	IJXLYJYIACYVBN-NFOMZHRRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)[C@@H](C)c1ccccc1	233271610	IJGCJYVMQYGTCG-VYDXJSESSA-N	247.426	4.595	0	10	BJAE	
Fc1cc(F)c2[nH]cc(CCC3CCCC3)c2c1	236203412	KKRMRPMIIULEJY-UHFFFAOYSA-N	249.304	4.569	0	10	BJAE	
CCCCCc1c(C)[nH]c2c(C)cccc12	238246619	SJRMOYPRXWWDSA-UHFFFAOYSA-N	215.340	4.517	0	10	BJAE	
CCCN[C@@H](C)CCCCC1CCCCC1	300785464	SESMYAKJEAMEMP-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cccc2ccsc12	302397886	OLWOIMKJCXAFPW-SMDDNHRTSA-N	247.407	4.727	0	10	BJAE	
CN[C@@H](C1CCCCCCC1)[C@@H](C)CC(C)C	302569281	ORPPIUIJWUXINT-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCC1CCCCCCC1	305912174	IVYABKPDPBWLJB-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1cc2ccccc2o1	305998303	KJXIZDHQYXWOBH-LRDDRELGSA-N	245.366	4.520	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H](C)C1CCCCC1	310240787	INCVBFMEOCBFNG-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC1(C[C@H](O)C2CCCCCCC2)CCC1	310289245	YNVVUWNWGYOYSU-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CC2CCC(C)CC2)C1	310310952	DTYPJRCLEJKNCC-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)c1cccc2ccccc12	310778777	WUJFYCPERVVYDV-GUYCJALGSA-N	241.378	4.522	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@@H]1CCCCC12CCCC2	310799726	WXNZXWBXOHKYDR-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
C[C@H](C[C@@]1(C)CCC[C@]1(C)O)C1CCCCC1	313103849	HZVJJPHJBTUQMP-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NCC)C(C)(C)C1CCC1	322335926	ZXXRGVJAZFJCII-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(N[C@@H](CC)C2CCC2)cc1C	322507443	FXBANFMTKPUUBM-INIZCTEOSA-N	231.383	4.548	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CCCC(C)(C)C)CC1	328340172	LXJQFLCOEOJWIX-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H](C)c1ccccc1	379725761	SVXGMLDKTGYEJD-ZIAGYGMSSA-N	233.399	4.552	0	10	BJAE	
Cc1cscc1C(=O)CCCCCC(C)C	383151521	OLZRWKRHTCNFPZ-UHFFFAOYSA-N	238.396	4.846	0	10	BJAE	
CN[C@@H](CCCCCCC(C)C)CC(C)C	383397736	QSKAUNHBZGVSRR-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCCCCC(C)C)C1	383527757	MEHHFWITXDERSG-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@@H](C)C(C)C	385824603	SDGUJDVTBXMKGT-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(N)c(N[C@@H](C)CCC(C)(C)C)cc1C	386406665	WFJUCBVBIGDKEM-ZDUSSCGKSA-N	248.414	4.512	0	10	BJAE	
CC[C@@](O)(c1ccccc1C(C)C)C1CCCC1	387514338	GFUNZQLMLQCWPZ-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
COc1c(Cl)sc2ccc(C(F)F)cc12	396288484	LZOUWRISNJYVPR-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCC[C@@H](Nc1ccc(CC)cc1)[C@@H]1CC1(C)C	397640285	XOHQAJJEIOZOCT-JKSUJKDBSA-N	245.410	4.876	0	10	BJAE	
Cc1sc(-c2ccccc2)nc1[C@@H]1CC1(C)C	397681386	MBKVZTSOVPTKCA-LBPRGKRZSA-N	243.375	4.632	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1ccc(C)c(F)c1	401830263	MELJKXOXVFPCTK-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNCCC1=CCCCC1	401862831	ZYPKRKVVZSIIEA-DLBZAZTESA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@H]1CC[C@H](C)C1	402185841	ZPPVKQUJOCATNG-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1CC1)c1cccc2ccsc12	405711446	AIJUGGJTWLGKDU-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CN[C@H](CC(C)(C)C1CC1)C1=CCCCCCC1	405731199	RZMGHMBKAPPTOY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CCC(=O)CCC(C)(C)C1CC1	405769824	KKBJXBCLCXODLU-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CC[C@](CCCC2CCC2)(CNC2CC2)C1	688846437	ROGKPCVQWPKOMX-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](Nc1ccc(C2CCC2)cc1)[C@H]1C[C@H]1C	690091361	AFDVHLCZTTUHRK-DQYPLSBCSA-N	243.394	4.801	0	10	BJAE	
CC(C)(C)CCCNc1cccc(C2CC2)c1	690112233	VADVSZPLQTVGNU-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
NC1(C[C@@H]2CC3CCC2CC3)CCCCCCC1	691680168	FURRHBPEYCAJQR-GPANFISMSA-N	249.442	4.645	0	10	BJAE	
C[C@H]([C@@H](N)c1ccc2sccc2c1)C(C)(C)C	691870191	ZVBKNYIDJWEBRQ-QMTHXVAHSA-N	247.407	4.583	0	10	BJAE	
CCCNC[C@](C)(CCC(C)(C)CC)C1CC1	696678924	OSEJUXKPSFOBFN-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H](C)C(C)(C)C	697815968	LMKDZPHTESAIMR-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cccc2ccccc12	701121921	JZPWLVHLXUYYMC-MRXNPFEDSA-N	241.378	4.666	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CNCC)CC1(C)C	702161318	CZZHRCABVGQPTB-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@]1(C)C[C@H]1C	704323381	FTIOFGWGAUIFDC-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCCC[C@H]1C1CC1	704474748	SSBXYICBMPHFMR-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)Oc1cccc2sccc12	705011534	VBIQWBUNNOAVIQ-WDEREUQCSA-N	234.364	4.715	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCC[C@H]21)C1CCCCCC1	707832317	GDOAEWRIJTZCMY-RKTXRCNFSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](c1cccc(CC)c1)[C@H](C)CC(C)C	708311520	DZAKIAHAAVJNSP-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCCC[C@@H]2C2CC2)C1	710135070	CHOMGCUTVAGMOR-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)n1CC1CC(C)(C)CC(C)(C)C1	710926588	QJGRJWKNMIXJLV-UHFFFAOYSA-N	247.426	4.957	0	10	BJAE	
CNC(C[C@H](C)C(C)(C)C)C[C@H](C)C(C)(C)C	711156538	HMXVPXVBZOIQFH-STQMWFEESA-N	241.463	4.719	0	10	BJAE	
C[C@@H](COc1cc(F)ccc1Cl)C(C)(C)C	711227909	FZXSBTAXHGDCQT-VIFPVBQESA-N	244.737	4.540	0	10	BJAE	
CCCNCC1(CC(C)(C)C(C)C)CCCC1	713212177	NQAPTEKTUKVEKU-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C\CC[C@@H](NC)C1CCC(CCC)CC1	713741098	SQDNYXRCFYSRTQ-GLFNWFFDSA-N	249.442	4.703	0	10	BJAE	
C1CCCC(CN[C@@H]2CC[C@@H]3CCCC[C@H]32)CC1	714313877	DMKYACXXOMYRDJ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC[C@H]2C[C@H]2C2CC2)C1	714821242	LGLIGJNGSSOHGO-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1CCC2(CC1)CC2	718528534	OSFJPEDTICPIMN-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)CCC(C)=C(C)C	718606154	QPQFYEHSYGIWPH-IAGOWNOFSA-N	246.394	4.678	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CC2CCC1CC2	721750827	ZKYHAXMTXNWMQO-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
c1ccc2c(c1)CCC[C@@H]2SCC1CCCC1	1640876777	GWLWUECBJVPIAX-INIZCTEOSA-N	246.419	4.987	0	10	BJAE	
CC[C@@H](C)CS[C@H](C)c1ccccc1	1652723146	FISOHSJTHYOSSI-VXGBXAGGSA-N	208.370	4.527	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CSc1ccccc1	1656053273	BZVWIYCZRHWFBD-OLZOCXBDSA-N	220.381	4.605	0	10	BJAE	
CCCN[C@@H](CCC=C(C)CC)CC(C)C	1900876650	GPOABMLEGQCRNU-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@@H](C)c1cc(C(CC)CC)cs1	1901884240	FTIRFXHLNQMLNC-NSHDSACASA-N	239.428	4.712	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC(C)(C)CC)NC	1905451767	APIODRPJJCKGTL-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC1(N)CCCCCCCC1	1906883961	HFCFUKYKWMJCTG-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@](C)(N)C1(C)CCCCC1	1910819632	CUDJLZQKTAAYLS-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)CC[C@H]1CCC(C)(C)C	1916013142	DUMNTNHWXFNEDM-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC1CC(CNC(C)(C)C)([C@H](C)CC)C1	1921259672	PJQYKPZZRVRMEB-VQCLRJIVSA-N	239.447	4.617	0	10	BJAE	
CCCC1CC(C(=O)c2cc(C)c(C)cc2C)C1	1921276665	GAKWBXCKGACGOS-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CCNC[C@](C)(CCCC(C)C)C1CCCC1	1924119579	RAWPICZQCQPCAN-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
Fc1ccc(CC[C@H]2C=CCCCC2)cc1	1925815413	WEBVYQATRLHWIB-ZDUSSCGKSA-N	218.315	4.505	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@@H]1CCCC[C@H]1CC	1926371814	JNWNHWYRIXNGFS-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
Cc1sc(Cl)cc1[C@H](N)CCC(C)(C)C	1933587148	JGCWTPDHRCGVTR-SNVBAGLBSA-N	245.819	4.536	0	10	BJAE	
CC[C@H](C(=O)c1ccc(C)c(Cl)c1)C(C)C	1936209591	RKHTVFHKMQBTEZ-LBPRGKRZSA-N	238.758	4.513	0	10	BJAE	
Cc1ccsc1C(=O)[C@@H](CC(C)C)C(C)C	1936211967	FTRQSKSCGCPPKL-LBPRGKRZSA-N	238.396	4.558	0	10	BJAE	
CC[C@H](CC1CC1)Nc1c(C)cccc1Cl	1939408223	RZNFOIRJFCDZTQ-GFCCVEGCSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)c1cc(C)cs1	1939444554	QOHSWKLPWVUYJG-OCCSQVGLSA-N	239.428	4.533	0	10	BJAE	
CCCCC[C@H](CCC[C@H]1CC1(C)C)NCC	1940877017	OGJRYHPGJMPUTF-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H](CC)C(C)C	1941271893	GLOWNHRFSSJDNX-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)C(C)(C)C	1941813297	GKJYTYIHKUBPNZ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)C1(C)CC(C)C1	1941984415	UNDCWJRMTQQGTR-CIDNJEQPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)C(C)(C)C1CCCCC1	1944639119	BNUQWOGAFMXQPT-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2CCC[C@H]2C)cc1	1944783494	FZHKUQAPCAGDSY-UKRRQHHQSA-N	232.367	4.625	0	10	BJAE	
CCC(C)(CC)C(=O)C12CCC(CC1)C2(C)C	1945633778	VAQNBACVFANALD-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCCCNC1CC(C2CCCCC2)C1	1945994264	MXJUASNWWYRVLF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Clc1cccc2c3c([nH]c12)C[C@@H]1CCCC[C@H]31	1946274654	LMACMMYPBKMRNM-UWVGGRQHSA-N	245.753	4.651	0	10	BJAE	
CCCN[C@H](C)CC1CCC(C(C)(C)C)CC1	1947372749	YKOXUGOVWMQIGM-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H](C)[C@H](C)CC(C)C	1948333359	RXWQAEJFSJQNRR-FZKCQIBNSA-N	241.463	4.862	0	10	BJAE	
CC(C)C(C)(C)CC(=O)CC1CC2(CCC2)C1	1949735415	YUQDNWSSWICWGC-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
NCC[C@@H]1CCC[C@@H](CCCCCC2CC2)C1	1950517806	XYNYZZZPMZOMPE-CVEARBPZSA-N	237.431	4.502	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CC12CCCCC2	1950603797	DPKHWMRNZFSUPL-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)[C@H]1CCC[C@@H](C)CC1	1950911657	QFKPLMLCSDPJTR-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CCC=CC[C@@H](CCC)c1cc(C)ccc1O	1951308603	JRWVFGULMIZLTA-CQSZACIVSA-N	232.367	4.941	0	10	BJAE	
CC1(C)CC[C@H](CNC2(C3CCCCC3)CC2)C1	1962980110	JEYCKZASHFOIBE-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CC[C@H](NC2CCC3(CCC3)CC2)C1	1965978239	FANLWKPHADSTRI-HOCLYGCPSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1CN(C)C[C@@H](C)CCC	1966575301	AQNHGFKARGFXEJ-HNNXBMFYSA-N	247.426	4.507	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2cccc(C3(C)CC3)c2)C1	1967832345	MJJJEGPFFXVMJE-UKRRQHHQSA-N	243.394	4.729	0	10	BJAE	
CCC(CC)CN(CC)Cc1cccc(C)c1C	1968783458	IKYJKOZOQGEEGZ-UHFFFAOYSA-N	247.426	4.562	0	10	BJAE	
CC(C)Sc1ccccc1N[C@@H]1C[C@H](C)[C@H]1C	1970342609	KTGPZKKVVJCMDU-OUCADQQQSA-N	249.423	4.644	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1C[C@H]1C1CCCC1	1973328497	ZBDLMFJSYSCMHY-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CCc1cnc([C@H]2CCC[C@H](CC)CC2)s1	1976348947	GLBLJKXVSFGKEI-RYUDHWBXSA-N	237.412	4.779	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H](C)CC(C)C	1978451529	KLLHWHRXEMKDKV-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
CCCCCC[C@](C)(O)CC1CC(CC)C1	1983355014	PKJMEDJBXGXWNY-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
C/C=C/CCCC(=O)c1cc(C)cc(Cl)c1	1984574975	GXCYEEUOVSIXHM-ONEGZZNKSA-N	236.742	4.578	0	10	BJAE	
CC(C)=CCC[C@](C)(O)[C@@H](C)CCC(C)C	1988796024	ZFYFNMABISCREN-GJZGRUSLSA-N	226.404	4.556	0	10	BJAE	
CCCCC[C@@H](O)C[C@H]1CC[C@H](CC)CC1	1989771957	IQMGEDGAKPVFSR-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCCC1(C[C@@](C)(O)CCC(C)(C)C)CC1	1990621009	OUYMLBSCOAGRIM-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)C(=O)CCCCC(F)(F)F	1993602993	ORAIWHUQQZVVII-JTQLQIEISA-N	238.293	4.505	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C(C)(C)C2CCCC2)C1	1996230420	UAHKEDYUFAJNSQ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)NC[C@@H]1CCC[C@H](CC)CC1	1997098958	ABJGLJMVNNLCRS-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CCNC[C@@H]1CCC[C@@H](C)CC1	1997117993	UWPNTZNXYFYOQA-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC[C@@H](n2ccc3ccccc32)C1	2000096483	JESDVBFEQPVAPU-CQSZACIVSA-N	227.351	4.783	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@@H](C)CC(C)C	2000294283	QQKAQTOYEPZWDW-DUVNUKRYSA-N	236.399	4.620	0	10	BJAE	
CCCCN(CCC(C)(C)C)c1ccccc1	2000910455	AXUFEOQEYPTYBC-UHFFFAOYSA-N	233.399	4.729	0	10	BJAE	
CCC(CC)CC(=O)CC1[C@@H]2CCCCC[C@@H]12	2002218620	IQMZDYDDVOJBPN-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CC1(CCC[C@@H]2CCCCCCC[C@@H]2O)CC1	2003116378	IIOAIRZWWMSMHR-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](CC)CC[C@H]1CCCC2(CC2)C1	2003218139	PDQDMDOEZPINSL-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@]1(C)C=CCC1	2003319986	DPABGYKPCAFRKI-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(N)(CCCC2(C)CC2)CC1	2004347236	SADWQYMWHKQJTC-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)CC1CCCCC1	2007623420	UFESCXXROQCGKI-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H](C)C2CCC2)CC1	2007682067	UTKKGQXCFCLRFZ-UYJPIKCFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1N[C@@H](C)C[C@H]1C1CCCCCCC1	2009067480	PDNASNXIGCJQQM-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H]1CCC(C)(C)CC[C@@H]1NCCC	2009403756	GJUUXGSGQOZQHA-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC=CCCC[C@@H](N)C1CCC(C(C)C)CC1	2009572180	LCYDULZOSPGBTB-UYSNPLJNSA-N	237.431	4.523	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H]1CC[C@H](C)CC1	2009617666	VGRFOUBZYBXQKY-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H]1NCC[C@@H]1C1(C)CCCCCC1	2009773135	VUERDLXRASYJEN-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)C1=CC[C@@H](C)CC1	2010622069	CXCHIQTTXCGTLN-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2010705071	CXWVHZWHQPWUAC-UONOGXRCSA-N	237.431	4.523	0	10	BJAE	
CC(C)C[C@](C)(N)C1=CC[C@H](C(C)(C)C)CC1	2010727986	BCRNDDSCEZRHSJ-BBRMVZONSA-N	237.431	4.523	0	10	BJAE	
CCCCC[C@](C)(N)CC1CC(=C2CCC2)C1	2011048403	JRXHWBLAHDYCFA-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CNC)CCC1(C)C	2014858951	OAPLEXFZUXLEJC-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2015197880	RWLZNFOSNKTPMJ-XMQYKBBCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)CC(C(C)C)C(C)C	2015412071	KKPKTISTRVIUTR-GOEBONIOSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](CN[C@@]1(C)CCCCC1(C)C)C(C)C	2016113257	VXGGVKNRQLFZPO-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]2C2CC2)c(C)cc1Cl	2017044817	UIAAIZONNKFPGV-GXTWGEPZSA-N	249.785	4.557	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)C1(C(C)(C)C)CCC1	2017138238	HVAKQDXICNSGRP-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCC1(C(C)(C)C)CCC1	2017143830	RDAOVIJYDZWJHS-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)C[C@H]1CC[C@H](C)CC1	2017649930	BBKULHBXKDLUEB-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)C[C@H]1CC[C@H](C)CC1	2017720302	GCKSDDAOFVDRIA-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H]1C=CCCCC1	2018129897	FYSSSEWJKUMDJI-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CCCC1(C[C@H](NCC)C(C)(C)CCC)CC1	2018994242	KNJFOSRPQVOQAS-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@H](N)CC2CCCCCC2)CC1	2019006629	ROKUXMQBIBQCBN-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N(C)CC(C)(CC)CC	2019180656	DOBJFHBLCRETNP-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCCN(C)[C@H](C)C1(C)CCC1	2019339861	GWQPKZZZCRVGRS-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCCCCN(CC(C)C)C1CCCCCC1	2020501049	IVKWUPZIQHAQCK-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCCN(CCC(C)=C(C)C)C1CCCCC1	2020534271	OGJFFZYNLUMIAQ-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C(C)C)C(F)F	2021004566	CGLJHJBAZRUBGF-CYBMUJFWSA-N	241.325	4.512	0	10	BJAE	
c1cc(NC[C@H]2C[C@H]2C2CCCCCC2)cs1	2022491605	CNCFIGCQTVWJQC-HIFRSBDPSA-N	249.423	4.767	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CC1(C)CCCCC1	2023319473	OGHUVUFLXZVRAO-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(C)cc(OCCCCC(C)(F)F)c1	2023345301	DNQQPDXKMMPOIE-UHFFFAOYSA-N	242.309	4.508	0	10	BJAE	
Cc1cc(C)c(-c2cc(Cl)c(C)cn2)c(C)c1	2023460140	DSILPNUYWIFPEA-UHFFFAOYSA-N	245.753	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@H]1CC[C@H](N)CC1	2023554117	XJNBGFBLAZCFCV-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC[C@@H]1CC1(C)C	2026166930	NHIXYSAKJBMPDO-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
C=CC=CCC[C@H](CC[C@H](C)CCCC)NC	2026169462	IOJAXMCQJSLZMZ-HZPDHXFCSA-N	237.431	4.703	0	10	BJAE	
Cc1cc(C(=O)CC2(C)CCCCC2)ccc1F	2027275938	NAWNZOLLLNDEHP-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCC(C)(C)C[C@H](NC)c1cccc(C2CC2)c1	2028561987	GBCIFPBTHNKTJO-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
O=C(CCCCCC1CC1)[C@H]1CC2CCC1CC2	2028624612	AVCZRFYVGXZMEL-GPANFISMSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CCNc1ccc2ccccc2c1)C1CC1	2032227132	YCNZFKDGJLEIGO-ZDUSSCGKSA-N	239.362	4.688	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@H]2CC[C@@H](F)C2)cc1	2032978314	RAIJEXPPWJCYHL-TUKIKUTGSA-N	248.341	4.521	0	10	BJAE	
CC(C)(CNC1(C2CCC2)CC1)C1CCCCC1	2034021361	QLGFDFDXZCVBMY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CC[C@@H](C)[C@H]1C(C)C	2035414364	WXRAGQHEMJLRNF-XNRPHZJLSA-N	249.373	4.617	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)C1(C)CCCC1	2035576925	UGDOXOSJAQVLAN-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)C1(C(C)C)CC1	2035594424	UEHZHMCUXSUQIO-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(NC[C@]23CCC[C@H]2C3)CCCC1	2035893047	XUHRSYSXOWIRMM-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@H]1CC12CCCC2	2036094395	MCTXBWCUPYXWDO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C1CCCCC1)[C@@H]1CCC2(CCCC2)C1	2037588508	DKACGQNXVTXKAM-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](C)(O)c2ccccc2)C1	2038164514	JLBBXKLEGUQSDU-BFYDXBDKSA-N	246.394	4.501	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@H]1CCC2(CC2)C1	2038575826	OIXAFVCNJYAGRA-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2039368175	AQGWVAAVMVPMMH-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCC1CC1)CC12CCC(CC1)C2	2039420383	LPNANMIISQKLPO-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCCCC=C1CCC2(CC1)C[C@H]2CN	2040466599	DQPISORHUOHLLV-BHWOMJMDSA-N	249.442	4.668	0	10	BJAE	
CCCC(C)(C)[C@@H](C=Cc1ccccc1)NCC	2040725352	FXWWVXZDTBCWFB-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CN[C@]2(C)CCCC2(C)C)C1	2041727952	FTQCESDGFVRJPV-YSVLISHTSA-N	249.442	4.537	0	10	BJAE	
CC1(c2ccccc2C(=O)CCC2CCC2)CC1	2042744509	JSOBLRSSNPFYGJ-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
C[C@@H](CC(=O)CCCC1(C)CC1)c1ccccc1	2045559002	QONINXMYHQFEGT-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@H]1CC12CCCC2	2047010074	SNFAUDYWGYILIN-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC[C@H]1CC12CCCC2)CC1CCCCC1	2047011599	LFRUZPFKYSJLKF-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@H]1CC12CCCC2)C1CCCCC1	2047020468	PTPSXTGQTLMESR-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1C[C@H]2CCCCCC[C@H]21	2047439077	XJBDSBHNNQSSIF-QBPKDAKJSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048366386	PYGWBNVVMMMZJA-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)C1CC(C(C)C)C1	2048608543	PRCUOPUAVBBSKL-VXTDNTOSSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H]1CCCC(C)(C)C1	2049491520	ZZFZXLVHZUGRBS-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC1CCC2(CC1)CC2	2049852825	CQZCAOGKHGFMFD-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)C[C@H]1CCC2(CC2)C1	2049857104	SBUHZZHGCOCIRI-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
NCC1(C[C@H]2CCC3(CC3)C2)CCCCCCC1	2049864005	IGMOOSPVONVKKE-HNNXBMFYSA-N	249.442	4.646	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C[C@@H]2CCC3(CC3)C2)C1	2049935710	LTLHYCYBRMPIEE-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@]1(C)C=CCCC1	2049997523	OESDRUXUYUZQST-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCC[C@]1(CCC1CC1)CNC1CC1	2053383693	MUCAXIDERNKNTK-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](N[C@H]1C=CCCC1(C)C)C1CC1	2055533990	YFTFHPDJNMAIIL-HOTGVXAUSA-N	249.442	4.536	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CC1CC(C2CCC2)C1	2056640374	ORKZLLQLUNIDDE-OKEQZYBDSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](O)c1cccc(C(C)(C)C)c1	2059220519	BGGFJXYPSMVLKL-JFDDCEBESA-N	246.394	4.764	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H]1CCCC12CC2	2059255950	LKPVBYDJAOCLNB-KADIJHKTSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C1=CC[C@H](C)CC1	2060921378	LCCOVWWJUBONIG-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C2=CC[C@H](C)CC2)CC1	2060921750	NILQFQGJISUIAO-QSJFSLAZSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C2=CC[C@@H](C(C)(C)C)CC2)C1	2061113524	PKTCUZIVEDWSGP-CKEIUWERSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@@H](N)C1=CCC(C)(C)CC1	2061151048	PKLWYQSJZHTOEH-JYJNAYRXSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@]1(CNCC(C)C)CCCC[C@H]1C	2061565307	CNPXVOSYXCJCDI-IAGOWNOFSA-N	249.442	4.550	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)[C@H]1CC=CCC1	2062640558	DHYMQZUXITVNIW-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)C1CC2(CCCCC2)C1	2062651166	IZSUWDNLHFEDHG-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C=CCCC1	2063414853	MLVXIYPQDQXMAQ-MPTYRVRUSA-N	246.394	4.518	0	10	BJAE	
CC(C)(CC(=O)CC1C[C@@H]2CCC[C@H]2C1)C1CC1	2063422337	DDDNCVSQXLZLLE-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H]([C@@H]2CCC3(CCCC3)C2)C[C@@H](N)C1	2063637399	DQLKVNGDYRZUGX-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C[C@H]1CC12CCC2	2069198331	UXFZGNOCARDMJZ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC1(CN(C)[C@@H]2CCCCCC23CC3)CCC1	2069321072	JFNCFJWDUDOISJ-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCC[C@H]2C2CC2)CCC1	2069344785	OCXAABWOBDPQSA-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](NCC(C)(C)C1CCCCC1)C1CC=CC1	2070809518	AVAMRJVBCYPZOP-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc(N[C@H]2CC[C@H]2C2CCC2)cc1	2071785832	KBYWPTYIGALVRU-IRXDYDNUSA-N	243.394	4.630	0	10	BJAE	
CC(C)(C)C1([C@H](N)CC[C@]23CCC[C@H]2C3)CCC1	2071939111	WHCYHSZXCJDNGX-LZWOXQAQSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CNc1ccc2c(c1)CCCCC2	2072360238	HICXXVLGNLVRJF-UHFFFAOYSA-N	243.394	4.724	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CCNC3(CCCC3)C2)C1	2074145551	QYPKXDREVIJYER-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@@H]1C=CCCC1	2074644796	VCAHIYLWQFHIOK-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CCCN1[C@H]1CCC12CCCCC2	2075010619	MEPAQUSBZIXXFJ-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CC(C)(C)C1CCC(=C2CN[C@H]2C(C)(C)C)CC1	2076150082	RFONYGAZIPFZFX-AWKYBWMHSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCC)c1ccccc1C(C)C	2077196908	WZTQMIUXYPSLDX-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2C[C@@H]2C2CCC2)CC1	2079318682	CSPDTGXKZOWTAJ-BCAXMMLOSA-N	248.410	4.598	0	10	BJAE	
CCC1(CC(=O)[C@H]2C[C@H]2C2CCCCC2)CCC1	2079492635	RWFWBBAKLGUCFV-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CCC)C1(C)CC=CC1	2079626276	HRHPKURHAJUABA-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2ccn(C[C@@H]3C[C@H]3C(C)(C)C)c2c1	2079818754	KJMUDZFHOPYYJI-LSDHHAIUSA-N	241.378	4.632	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)C1CC2(CCCCC2)C1	2079841464	IZRBRSFMDOLYPW-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
O=C1CCCC[C@@H]1C[C@H]1C[C@@H]1C1CCCCCC1	2079841590	JTGLLKXQOZPMOC-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCC1	2079844092	UAKFQYQOMOFREV-LVQVYYBASA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)ccc1NC1CCCCCCC1	2081947766	WIYHLTRSJCHOQD-UHFFFAOYSA-N	249.373	4.913	0	10	BJAE	
CCC1(CC(=O)c2cc(C)cc(C)c2C)CCC1	2082959307	MRKYHBXTGKRMLY-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CN[C@@H](C[C@@H]1CCCC(C)(C)C1)C1(C)CC=CC1	2082980040	RVOOTAKNFJGNPV-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCCCC2CC2)CC1	2214558833	STRLFMUVEMSVJQ-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC1(C)C[C@@H]1CCCC[C@H](N)C1CCCCC1	2214778088	VLFNGKXBNXZRRY-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CC[C@@H]1C[C@@H]1CC)CNC	2215265872	MNLLDGKZTGYDRR-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H]1CC=C(C)CC1	2215834409	ONRZQYJQYZTTAE-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CNC1CCC1)CC(C)C	2217124671	JMPCZAHFFJGBQJ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC(C)(C)CC1(C)CCCCC1	2217144948	KNZUEKXKIPOSET-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C1CCCC(CN[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218333263	QDFPTGMQZHBPNQ-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)ccc1NCCCCCCC1CC1	2218717558	FLUBERSRSHZCPC-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CN[C@H](CCCCCCCC1CC1)c1ccco1	2218723735	HAOJCBLLAQGDFR-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CCCCC[C@H](C)O[C@H]1CCNc2ccccc21	2220742831	CQRZURCEYIIVJA-BBRMVZONSA-N	247.382	4.529	0	10	BJAE	
CC1(CN2CCCCCCCC2)CC2(CCC2)C1	2221071050	CBQURDOWCUFFSU-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
C1CC[C@H](CC[C@@H]2CC[C@H]3CCCC[C@H]3C2)NC1	2222918812	NXCFTZFUKDTKJD-VVLHAWIVSA-N	249.442	4.515	0	10	BJAE	
CCSCC(=O)CC[C@@H](C)CCCC(C)C	2244838631	VSBKRXXLSROTEI-ZDUSSCGKSA-N	244.444	4.551	0	10	BJAE	
CCCC1(C(=O)CC[C@H]2CCC[C@H](C)C2)CC1	2246661882	BVTHTGNOENNVTK-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)CCC2(C)CC2)C1	2246677551	CYOQEQZFUSOEBW-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@H](N)C1CCCCC1	2247159285	MGEQNOBYNRXBRF-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)CC1CC(C)(C)C1	2247173390	RUVWSODLIFUEFB-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)[C@H](O)c1cc(C)c2sccc2c1	2248569778	TYGYBQCFHCBXJE-YGRLFVJLSA-N	248.391	4.679	0	10	BJAE	
CC(C)C[C@H](C)N(C)CCCCC[C@H]1C[C@@H]1C	2248839393	CPPDRQMGQQCOIX-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C(F)F)[C@@H](C)CC	2250112408	NZMGJHZKJSELCE-RWMBFGLXSA-N	249.389	4.615	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc(C(F)F)cc1	2250371499	LTPHRYDLCNMOQE-JTQLQIEISA-N	240.293	4.633	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@H](CC)CCC	2250372130	OMKQZWDALAFMHA-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CN[C@@]12CCCC[C@@H]1CCC2	2250385537	GWFNUDMJFBBNAR-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](O)CC1CCC1	2250496639	UBQAFTIOHRYNBA-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC1CC(C)(C[C@H](N)C2CC3(CCCCC3)C2)C1	2253773271	QUHVAWFWZXGFNG-SIWZUTFBSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2c1N[C@H](CCC[C@H]1C[C@H]1C)CC2	2253873858	LUHRJSQXUHRQCW-VNQPRFMTSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@@H]2CC23CCCC3)C1	2253925981	WQQNWWNFVJNVPY-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2(N)CC3(CCCC3)C2)C1	2253998712	VTMPQRZOJTXWDM-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)CC1CC2(CCCC2)C1	2254114853	NSQRAFFXQMBFGP-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](NCCCC[C@H]1C[C@H]1C)c1ccccc1	2254503478	PVIADVXKNWKCIU-PVAVHDDUSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCn1ccc2c(F)cccc21	2254534049	ASUCSJGAIPIZDS-STQMWFEESA-N	245.341	4.607	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1(CN)CCC2(CC1)CC2	2254587523	QSVUHBPJAMWXHF-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1(N)CC2(CCCCC2)C1	2254604675	JXGNYSQOTPPQBV-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cc(C=O)cc(C2C(C)(C)C2(C)C)c1	2254749203	CTPQAJKHPFEICB-UHFFFAOYSA-N	244.378	4.772	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@H]1CCC1(C)C	2254954315	KQWDETHTPISZII-CYBMUJFWSA-N	245.410	4.832	0	10	BJAE	
C(CCNCC[C@H]1CCCC12CC2)CCC1CC1	2255331275	MUSXETFQGGEQKN-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C1CC(=C2CC2)C1	2257305507	FPBGCIXSRKDHCU-OCCSQVGLSA-N	246.394	4.662	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CC[C@@H]2C2CC2)c1	2257905324	AAMFESLAUJTHFU-HZPDHXFCSA-N	243.394	4.585	0	10	BJAE	
CC1CC([C@@H](C)Nc2cc(C3CC3)ccc2F)C1	2259127117	PVERHWXWSSBSNC-IQLKVPPVSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1C2(CCC2)C12CCC2	2259453293	JQHWJOWNJRZAFE-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C(=O)C[C@@]23CCCC[C@@H]2CC3)c1	2260581344	ZFMWJWYCCGHAJG-WBVHZDCISA-N	242.362	4.538	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@]12CCC[C@@H]1CC2	2260588698	TXPSBRAQFJXXBP-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@]23CCCC[C@@H]2CC3)CC1	2260659837	ZNBKOUHOPCVHAQ-MPTYRVRUSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)c1cccc(C2CCCC2)c1	2260726997	JPUPIEABLLRJHG-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@@]12CCC[C@@H]1CC2	2298696823	NDVXPNSIHSGZPP-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CC=CC[C@H](NCCC)C(C)(C)C1CCCC1	2300879089	FAYDLBKMAOVQMS-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)CC1CCCCCC1	2301137695	MDDBNDKMUUACCS-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)CC2CCCCCC2)C1	2301140422	OTGMQYBESZGEAK-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301140581	QFTQOWWGXISQCQ-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CC1CCCCCC1	2301142973	OSIIREQUYZMXJK-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CC[C@](CN)(CC2CCCCCC2)C1	2301144294	CAVPNYRIZYFEPK-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@](C)(O)C1(C)CCCCC1	2301869436	NYIGPQJJSFAGLX-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)CCC1=CCCCC1	2301939280	SLCSODNKWBMYOB-MRXNPFEDSA-N	235.415	4.731	0	10	BJAE	
COc1c(CCCC(C)C)cccc1C(C)C	2302225230	RRGDCDQJLNCKBL-UHFFFAOYSA-N	234.383	4.797	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@H]1CCC(C)(C)C1)NC	2302718995	FJFBDBCQBPYIPE-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC1(N)CCCCCC1	2303476217	FDCJRNGRDFRZAX-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC[C@@H]1CCC(C)(C)C1	2304433262	AEVZAOPDBOMYSM-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(CC)CNCC(C)C	2307896654	WKWRZRKDMMAGKB-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309184516	HREUWFKYLOQGOX-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2C[C@H]2C2CCCC2)C1=O	2311611256	RIKNRZNGOQVSNH-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@H]1CC[C@@H]2C[C@@H]21	2312333500	NSXMSBDIXCHAQI-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@@]12CCCC[C@@H]1CC2	2313292936	ZLMQJENCRWJVTK-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@](O)(CC)c1ccc(C)c(CC)c1	2314635414	FCTKAESHXCFBQQ-KRWDZBQOSA-N	248.410	4.735	0	10	BJAE	
CCc1cc(C(=O)C2CCCCCC2)ccc1C	2314697938	UMAIMUUXDUVLKX-UHFFFAOYSA-N	244.378	4.711	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@]2(C)C[C@@H]21)CCCC(C)C	2316533325	YCLRUJXMZXLUPQ-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
C[C@@]1(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCCCN1	2316873716	OIBCYKBHOBHODK-QAETUUGQSA-N	249.442	4.515	0	10	BJAE	
C[C@@](N)(CC1CCCCCC1)C1CC2(CCC2)C1	2316876928	ZLCYJRIBNABJHP-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC12CC([C@H](N)CC1CCCCCC1)C2	2316887463	YGTPJEZILPWZBO-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(F)cc1NC1CC(C2CC2)C1	2317914067	YQKUBFGEOGEMBN-UHFFFAOYSA-N	247.357	4.550	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)C1CC(C)C1	2318576450	PBVDGIHZPQWUTF-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
Cc1cc([C@@H](O)CCCC2=CCCCC2)oc1C	2318581030	RPSXCLFVIVWUIN-HNNXBMFYSA-N	248.366	4.601	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC(C)(C)C1)c1ccoc1	2319029973	IXFMKCWEOUXWPB-ZFWWWQNUSA-N	249.398	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)C[C@H]1CCC(C)(C)C1	2319122344	SWLFQRMMJLOKRA-XUWVNRHRSA-N	249.442	4.523	0	10	BJAE	
C1CCCC(NCC[C@H]2CC[C@H]2C2CC2)CCC1	2319645307	ZJCJFPGWWPXXKB-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(OC[C@@H]2CCC(C)=C(C)C2)cc1	2320389127	XLCUWIXENJOYEQ-MRXNPFEDSA-N	244.378	4.764	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CCCCC23CCC3)CC1	2320416357	JQVLHRQYOVKSSQ-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@H]3CC[C@H](C)CC3)(C1)C2	2321586291	CWYCKGATBDIKBM-RBAWDMFTSA-N	248.410	4.598	0	10	BJAE	
CC(=CC[C@H]1CCC(C)(C)C1)C[C@@H]1CCCCN1	2321604637	DQUFGAGHEGDDME-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@](N)(CC[C@H]2CCC(C)(C)C2)CCC1	2321610387	GTOLUJMVXHCZPL-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccc(N)cc2C)c1	2327782398	PXJHCMWLGJCMJM-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
CCC[C@H](CC)CN1CCC[C@H]1c1ccccc1	2328082310	AVSOKWMPHDQTCI-RDJZCZTQSA-N	245.410	4.650	0	10	BJAE	
Clc1ccc(Cl)c(Oc2ccccc2)c1	6116035	VITXVDNQHXYQSK-UHFFFAOYSA-N	239.101	4.786	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@@H]2CCCC[C@H]2C)c1	21505472	FSMHKHJMVWMIPA-HLLBOEOZSA-N	245.410	4.533	0	10	BJAE	
Cc1cccc(N[C@H](C)c2ccc(C)cc2C)c1	21811945	IGHDNSAHZKIXKK-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CCCN[C@H](CCC)c1ccc(C(C)C)cc1	37409602	AHKSABTZQVMVJQ-MRXNPFEDSA-N	233.399	4.651	0	10	BJAE	
C[C@H]1CCC[C@@H](C)CC[C@@H]2[C@H]1CC2(C)C	64624179	SITKOPDZOGHVLY-ZOBORPQBSA-N	208.389	4.885	0	10	BJAE	in-vitro
Cc1ccc([C@@H](N)CCC(C)C)c2ccccc12	79904715	BVQQCDFNCQCXOY-KRWDZBQOSA-N	241.378	4.584	0	10	BJAE	
Cc1ccc(Sc2cccc(Cl)n2)cc1C	82461753	UDAQYXGUWLGGJY-UHFFFAOYSA-N	249.766	4.503	0	10	BJAE	
C[C@H]1CCC[C@@H]1Nc1c(Cl)cccc1Cl	83847763	MCLJGJLFDFXESW-KWQFWETISA-N	244.165	4.594	0	10	BJAE	
CSc1cccc(NC2C[C@@H](C)C[C@H](C)C2)c1	84461860	RNMIIFBKQRNXFT-RYUDHWBXSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(C)cc2F)CC1	86896500	HWYCKEZWCDTSQP-KGLIPLIRSA-N	249.373	4.905	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@@H]2CC=CCC2)cc1	88746549	HDRFLOTVXBVKDM-WMLDXEAASA-N	243.394	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@]2(C3CC3)CCCCCN2)C1	91875394	SIZYXLKQVSCQGN-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CCCC2(C)C)cc1	94302997	LICDOQBFXOOQMW-OAHLLOKOSA-N	245.410	4.975	0	10	BJAE	
CCCNC[C@@H](c1ccccc1C)C(CC)CC	94675315	DCCUMVVJJYTMNR-QGZVFWFLSA-N	247.426	4.514	0	10	BJAE	
CC[C@H](N[C@@H](C)CCC(C)C)C1CCCCC1	103985595	HFWAVTOWIGSGFK-HOCLYGCPSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(C)cc1OCCC	109909685	VSEQZWXSKFDLLF-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CCCN[C@@H]1CCCc2ccc([C@H](C)CC)cc21	110269444	ARUJMWRSOWRROZ-CXAGYDPISA-N	245.410	4.577	0	10	BJAE	
CCCC[C@@](CC)(CCC(C)C)CNC1CC1	111236210	YZEGQPQCFOWEKH-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](NCC1(C)CCCC1)c1ccccc1	111619884	DXWMZHQEJHHVCQ-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](C)c1ccc(C)cc1C	111666048	IGDAGERQCDUFDI-CABCVRRESA-N	247.426	4.779	0	10	BJAE	
CCC[C@H](C)Cn1ccc2cccc(CC)c21	128372605	VICSRKZCMHKBKV-ZDUSSCGKSA-N	229.367	4.640	0	10	BJAE	
CCC[C@H](C)CC1(C(=O)O)CCCCCCC1	159173303	IJTFVXGHQZMXFM-ZDUSSCGKSA-N	240.387	4.628	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H](CC)c1ccccc1	159502343	RYJUAGKUGKHXIQ-IRXDYDNUSA-N	247.426	4.739	0	10	BJAE	
Cc1ccccc1C(=O)CCC1CCCCC1	164126654	PEJAFQDCGUSEJW-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1CCCC(C)C	165488135	WAQJHVUYNTZHHN-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCCC(C)C)CC1	165689345	WJOOZYDVACYDTB-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)(C)C)C1CCCC1	167505175	VNBPISMRXMGYKC-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
FCC1(c2cccc(Cl)c2)CCCCC1	220501556	VFBUXNIVKSCPNM-UHFFFAOYSA-N	226.722	4.511	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC[C@@H](C)[C@@H](C)C1	220606327	JIGSDVVJPWHTAZ-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](O)c1cccc(C)c1C	225411922	LNSJQVAZXKRYTQ-UAGQMJEPSA-N	246.394	4.553	0	10	BJAE	
CC[C@H](C)CC[C@@H]1C[C@@H](C)Nc2ccccc21	225563360	JTYIOAYSSBEHSA-BFHYXJOUSA-N	231.383	4.801	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H](C)CC2CC2)cc1	229676454	FPNWACFQXACFBS-CHWSQXEVSA-N	231.383	4.801	0	10	BJAE	
CCCCC[C@@H](C)Nc1cc(F)cc(Cl)c1	229994220	TZMCKDGIBCXPSY-SNVBAGLBSA-N	243.753	4.860	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CNc2ccccc2C1	233011355	BLVHDGFMOILQMM-CABCVRRESA-N	245.410	4.877	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@H](C)CCC	233162554	CNYOYWVMNCPWTL-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1CNc2ccc(Cl)cc21	233274747	LVZKMAGNWMADRH-GHMZBOCLSA-N	237.774	4.675	0	10	BJAE	
CCC[C@H](C)C(=O)C1CCC(C(C)(C)C)CC1	233322537	UUVHTTRJEUADLS-HSBZDZAISA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@H](C)C[C@H]1O[C@@H]1C	251175358	WKWMUNSPWYSHMH-XJKCOSOUSA-N	246.394	4.573	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H](C)C[C@H](C)CC	252895160	ACCYFQAKILDKPH-VYDXJSESSA-N	247.426	4.800	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCC(C)(C)C2)CC1	253303050	RHMYELKPFIDFPU-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H]1CCC[C@H]1C	300284991	QJURHLNIOGIZFU-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCC[C@H]1CC	300367996	PABBREWRFQLCMN-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C1CCCCCC1	300854240	LHPVAMJOOYSEMT-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@H](C)CC(C)C	302550746	JXTFYTZIZLGQTI-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)CCC[C@H](N)c1ccccc1	305902320	BMKRMLJJDDYYOO-HOCLYGCPSA-N	233.399	4.539	0	10	BJAE	
CCC1([C@H](CCCC(C)(C)C)NC)CCCC1	305930089	OMLXXZQTLUJIFJ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(Cl)c2sc(Cl)cc12	306816999	BZCAXGNUHMJKRL-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@@H](C)CC(C)C	308030427	NWBCULNEVQTUIT-ARFHVFGLSA-N	242.447	4.882	0	10	BJAE	
C[C@H]1CCC[C@@H](n2ccc3c(F)cccc32)C1	309994200	KODKMQLKJNEFER-NWDGAFQWSA-N	231.314	4.532	0	10	BJAE	
CC(C)CCC[C@]1(O)CCCCC12CCCC2	310413704	PHEDBYPTDGYPHS-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC1(C[C@H](O)C2CCCCCCC2)CCCC1	310438834	VHGYAUBHBQUVMB-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC(C)c1ccccc1[C@@]1(O)CCCC(C)(C)C1	310897469	AIDCGAKZNPDWKZ-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@H](C(C)C)[C@H](CCC)C1CCCC1	313455408	XHYFKIKFIBPAKR-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)C(C)C)c1ccccc1	320052681	ZDEJKZNQUNYASL-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(CCCC(C)(C)C)C1	382665921	DAZGXFWSGOVMBJ-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1C=CCCCCC1	383235041	UGSPPDFMJDFEKJ-HZPDHXFCSA-N	237.431	4.824	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@@H]2CCC[C@H]2N1	383412269	XIIQPHHEIIVJRN-ARFHVFGLSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC)CC1CCC(C)(C)CC1	383546394	VWUHHGQUCHFEQV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC1(Cn2ccc3cc(Cl)ccc32)CCCC1	384050462	WOOLYVMEUGFISO-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
C[C@H](C[C@@H]1CC[C@@H]2CCC[C@H]2N1)C1CCCCC1	386151165	CPPPQUBRWXWVEN-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CSCc1cccc(-c2ccccc2C)c1	390675626	VFTNRBMNXDQQTC-UHFFFAOYSA-N	228.360	4.525	0	10	BJAE	
CCC[C@@H](NCC1(CCC)CCC1)C1CCC1	391767357	AYNPVHXFJDDCGE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](C)NCC1(CC(C)C)CC1	391838644	UMYZVJRKNOPZCD-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC([C@H](O)C[C@H](C)CC(C)C)CC1	393894440	ALUVTVSIPNSKLO-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)CCNc1cccc(O[C@H](C)CC)c1	394417792	WECDWAGHZNYHGM-ZIAGYGMSSA-N	249.398	4.712	0	10	BJAE	
Cc1cccc(NCC2(C)CCCCC2)c1C	394614380	CMFWAWAUZYYMFN-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@H]2CCCC23CCC3)C1	394853271	GVJDILDDMRMFSE-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1ccsc1[C@H](C)N[C@@H](C)CC(C)(C)C	395151386	XBQFABDLQWPCMD-RYUDHWBXSA-N	239.428	4.532	0	10	BJAE	
COc1c(C(F)F)cc2ccsc2c1Cl	396184659	LSQZFHFAIFPSHK-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC(C)CC1([C@H](N)CCC2CCC2)CCCC1	398942089	WPDRKMSMSZIALO-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)c1ccccc1C(=O)CC1=CCCC1	401021268	HASNHILJJVAVHZ-UHFFFAOYSA-N	242.362	4.667	0	10	BJAE	
C1=C(CCc2cccc3ccccc23)CCC1	401052669	BMMUKLBIGDCSSG-UHFFFAOYSA-N	222.331	4.883	0	10	BJAE	
CCCC(CCC)C(=O)c1c(C)cccc1C	575358318	SRLTUNOSSUDQPL-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CC[C@@](N)(CC(C)(C)c1ccccc1)C(C)(C)C	686664251	BCSBIWKXBMNGTM-QGZVFWFLSA-N	247.426	4.508	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C1(C(C)C)CCC1	686921367	BVQDSRPKEITNMS-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
c1cc(NCCC2CCCC2)cc(C2CC2)c1	690099392	PWVNEAOIEIAUJH-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC(C)(C)C(F)(F)CC	691087958	XTQDGWNDFIKLJJ-NSHDSACASA-N	249.389	4.602	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@]12CCCC[C@H]1C2	693184736	RQOWHUJHGGVLBC-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@]1(C2CC2)CCCCCN1	696800411	VQYZTMVINGNLQX-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Clc1ccc(CCC2CC=CC2)c(Cl)c1	700836418	RMDHCZODOHIEQM-UHFFFAOYSA-N	241.161	4.892	0	10	BJAE	
CC(C)c1cccc([C@]2(N)CCCCC[C@H]2C)c1	704938662	GNUWOYMXLZKQQA-PBHICJAKSA-N	245.410	4.564	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H]2CCCC[C@@H]2C)c1	704953997	RBHJMCHZGWPFFX-DZGCQCFKSA-N	227.351	4.701	0	10	BJAE	
CCC[C@H](NCC[C@H]1CC=CCC1)[C@H]1CC1(C)C	706891641	XNCDTILJPWMPKK-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(=O)CC(C)(C)C1CC1)CC(C)(C)C	709133128	SKCIMRUHENQGSS-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C[C@@H](C)CC(C)(C)C	709190717	SHBMJPNCJXNELF-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
C[C@H](C[C@@]1(CNC2CC2)CC=CCC1)C(C)(C)C	711197757	GDODSCDGEVLBOT-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)CC1CCCCCC1	713218593	WZLUMHWRSDOZPI-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)CC(C)(C)C	713272731	RMFDJEGSVGPEBL-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
C=C/C=C\CCNc1ccc(CCCC)cc1	713645634	VZLHOXIOKDDAKS-ALCCZGGFSA-N	229.367	4.573	0	10	BJAE	
C=C/C=C/CC[C@@H]1CCCCC[C@@H]1CNC(C)C	713712954	XSOHWTMRBCDNIS-SDKBWNRFSA-N	249.442	4.703	0	10	BJAE	
C/C=C/CCc1ccc(Cl)cc1Cl	714544867	IYUYNFVKYXXYGY-NSCUHMNNSA-N	215.123	4.502	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C1(C)CCC1	720772531	WAJAFYYZIYNQNG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H](C)c1ccccc1	721733516	YTWSETBMIXLYEZ-CYBMUJFWSA-N	232.367	4.576	0	10	BJAE	
CC(C)(C)c1ccccc1C(=O)C[C@H]1CC1(C)C	722857631	MGVRGVIOWBAOGJ-LBPRGKRZSA-N	244.378	4.603	0	10	BJAE	
C1=C[C@@H](N(c2ccccc2)C2CCCC2)CCC1	1167735239	WDISUYFAVBAZIV-MRXNPFEDSA-N	241.378	4.544	0	10	BJAE	
C[C@@H](CN1CC[C@@H]1c1ccccc1)CC(C)(C)C	1473207392	QQYJVIFGYKGYOE-GDBMZVCRSA-N	245.410	4.506	0	10	BJAE	
CCC(CC)(CC)CNC1CC(C(C)(C)C)C1	1560856038	HYNAYEBIRLEYRY-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCNC1(C2CCCCC2)CC1	1653227648	KWXCPUXTBHTANA-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(CCCC(C)C)c(Cl)c1	1889460438	LOJLZKYDRDXDRT-UHFFFAOYSA-N	210.748	4.627	0	10	BJAE	
CCC(CC)CCC[C@H](C)CNC(C)(C)C	1900711581	FIFRUEYJUUIEAR-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCC[C@H]1CC	1900713886	SFODIXRDMJJNHT-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](O)CCC[C@@H]1CCC(C)(C)C1	1903418460	VGHDGCGGEVGAGQ-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)CCC[C@H]1C[C@H]1C	1905391575	QHDRMJIAFGJJEW-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC[C@H](C)CC1	1905399429	WGELLXMXYHGVKL-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@](O)(CC[C@@]12CCC[C@@H]1C2)C(C)(C)C	1908413520	NJWJNFKDQIRAMQ-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1C[C@H]1C1CCCCC1	1910661587	VGFNNFHQKRKJDY-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C=C(CNC(C)(C)C)C(C)C)CC1	1911971456	FNJMZKJLLXRGBI-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@]1(CNC(C)C)CC[C@H](CC)C1	1912128041	GCUKYSFEVUVESB-IRXDYDNUSA-N	249.442	4.703	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCCCCCCC[C@@H]1N	1913402088	CIMIZWMARJSLET-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CCCC=CCN[C@H](CCC)c1cccs1	1914666992	OJXOEXRMPNWGPU-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCC2(CCCCC2)C1	1915857776	MPTTZMZTORDZRW-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCC2(CCCC2)C1	1916413989	BRNUAMKVBNREDK-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(N)CCC3(CCCC3)C2)C1	1916440339	VVWJOYVNVGSZMP-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCC1CC(CNC(C)(C)C)(C(CC)CC)C1	1921203584	JKUJOLJPMWBESU-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NC)[C@H](C)C1CCCCC1	1924076533	VUFTWFXHFCIAPM-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@H](N)c1cc(Cl)sc1C	1933607841	OCWQVOLIIZIOAU-NSHDSACASA-N	245.819	4.536	0	10	BJAE	
CCCC[C@H](CC[C@H](C)CCC)NCCC	1939109193	AVSYMOQAVCXGLE-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCC(F)(F)C(C)(C)CC(=O)CCC1(C)CC1	1940798819	OXGCJDLYTCQUBO-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@@H](C)CCC(C)C	1942660503	QTIOGDPGUSFJLV-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC)CCCC1C[C@H](C)C[C@@H](C)C1	1944205843	VYCUOLHCLJOGOV-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)CCCC1CC1	1944666230	OKYYZCMVNKXAMO-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(NC(C)(C)C2CCCCC2)CC1	1945382666	PUOVYZNUPLLLSH-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCCCCCC(C)C	1947466683	UHBKRNRTFYPZGG-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H]1C=CCC1)NCC	1947574899	CZLUNVZKQZSQMA-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(O)CCCCC12CCC2	1947901338	RWVJOEZHWTWHLI-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@@H](N)C2=CCCCCCC2)CCC1	1948949132	DWDFBKGMNQWVQO-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
C[C@H](C[C@@](C)(N)CC1CCCCC1)C1CCC1	1949037367	LACAOTZSVAPICZ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@@H]([C@H](C)CCC)CCC1(C)C	1949655017	ZVMGCZVITXXQDQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CCC(C)(C)C(=O)C2)C1	1949657141	YIFXUFXOJLSKQA-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CCC(C)(C)C(=O)C2)C1	1949657144	YIFXUFXOJLSKQA-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)CCCC2CCC2)CC1	1950907594	FVJFJNUNXIKOFS-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCC(C)C)[C@@H]1CCCC(C)(C)CC1	1950920227	SVDZBLYOIZZIPM-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@@H]2CCC[C@@H](C)C2)CC1	1950929629	INSREPNGICQLDU-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CCC1CCC(CN)CC1)CC(C)(C)C	1951553006	OQHWSDFASDGJLS-NFOMZHRRSA-N	239.447	4.604	0	10	BJAE	
CC(C)C1CCC(NC[C@@]2(C)C=CCCC2)CC1	1966038492	UROHMNCLQFWYOG-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](Nc1cccc(C(F)F)c1)C1(C)CCC1	1969870723	SKIIKWARKPXOCR-SNVBAGLBSA-N	239.309	4.615	0	10	BJAE	
c1ccc(C2CCC2)c(NCC2CCCC2)c1	1973430956	RRTLDPHFZRMOTG-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@@H](CC)CCCC	1983428895	MSIDBARAZVPZJS-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H](C)C(C)C)cc1Cl	1988298992	GEGWMKLXMLMBPY-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@H]1CC	1990092094	VFOYBIDKWXYBFY-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
CCC1(COc2cc(C)c(Cl)cc2C)CC1	1990566171	FTEFHLVPGRIDHG-UHFFFAOYSA-N	238.758	4.526	0	10	BJAE	
CCCC1(CC(=O)C(C)(C)C(C)(C)C)CC1	1990601559	KNPLBZBOFUSSEN-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC1(C[C@](N)(CC)CCC(C)C)CC1	1990627810	JAUOMXUVPXOXJM-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(N[C@H]2C=CCCCC2)cc1Cl	1990969955	XHGJASWDWDHZCE-LBPRGKRZSA-N	235.758	4.559	0	10	BJAE	
CCC(CC)CNC[C@H]1CCC[C@H](CC)CC1	1997101021	VLKGCPLSWFHHSU-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CCCC2CC2)CC1	1997118770	ZSXWGDIQTPAEOK-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCN[C@@]1(C)CCCCC1(C)C	1997421608	IIYBKTOOUDHPGB-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC1CC(C(C)(C)C)C1)NC	1998240550	NYFLSKWMEWBOHZ-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](O)CC1CC(C(C)(C)C)C1	1998259167	QVKWJZYNFXVJEW-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC1=CCCC1)C(CC)(CC)CC	2000375101	ZBHZNUVZZUCBSS-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(CC2(C)CCC2)CC1	2001136050	BRUNWDQWRLFHKQ-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1[C@H]2CCCCC[C@H]21	2002206742	FHKPPPWKCATXLD-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2002221255	PQBONEPMBOAKMQ-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(=O)C1CC(C(C)(C)C)C1)C(C)C	2002327358	XSUPAAKCFHQRFX-RUXDESIVSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@]1(C)CCCC1(F)F	2002579798	OIZYOEFRZNGFNQ-WCQYABFASA-N	246.341	4.597	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)[C@H]1CCC[C@H](C)C1	2003007124	PCSPDJRQBRWAJK-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)[C@H](C)CC)CC1	2003067876	YXVCQWNEMUKBDX-RBSFLKMASA-N	238.415	4.988	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCCCC1=O)C1CCC1	2003074609	KXJGGZCUONKWLS-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCCCCCC[C@H]1NC	2003110388	CTXDUXWQFMNLHC-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@]1(C)C=CCCC1	2003324104	HFLWUEKCGNTGPV-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCC1(C)CCC(N(C)CCC(C)(C)C)CC1	2004363858	ZUCYHXCBCZFKIX-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)CCCCC12CC2	2005536961	QDGDCBDJPZTUOK-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCCC[C@H]1F	2006677914	QHEIDUQRUZZJDD-HIFRSBDPSA-N	235.346	4.503	0	10	BJAE	
CCN[C@@H]1C[C@H](CCCC(C)(C)C)CC[C@@H]1C	2006955527	BGWQDGCOKRTFOH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@H](NC2CCCCCCCCC2)CC1	2007134202	SJPDMGKQXRXXKM-MRXNPFEDSA-N	235.415	4.578	0	10	BJAE	
CCCC[C@](O)(CC)CC1CC(C2CCC2)C1	2007761462	SGUQRMJZXVWMRR-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CC(Nc2cccc(C(C)C)c2)C1	2009296911	KGWDGRWOCYVPOS-UHFFFAOYSA-N	231.383	4.801	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H]2CCC(C)(C)CCC2=O)C1	2009405247	WSMNKVLLDMIWRK-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](CC1(C)CCCC1)NCC	2009619502	LZGRRKIBOFYLRB-DRDHIDPGSA-N	237.431	4.681	0	10	BJAE	
Clc1ccccc1NC[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011968437	BVJBPHNRUZYGCU-CLLJXQQHSA-N	249.785	4.578	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@H]1CCC[C@H](C)C1	2013271987	XQCQOBQCSHSQOT-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CC[C@@](N)(C(C)=C(C)C)C1CCC(C)(C)CC1	2017476964	CQBIOXFLRAZJDQ-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CCCC1CCC(C[C@@]2(O)CC[C@H]2CC)CC1	2017655710	FULPZXMYOKDBHU-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CCC[C@@H]2C)CC1	2017729292	VDUTZNBGDZAGGE-LBDPXKHJSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)[C@H](C)C[C@H]1CC[C@H](CC)CC1	2017730816	LFYKEILZIUSWNY-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CC[C@@H]2C[C@@H]2C)CC1	2017774137	KRIOVNAOPQLUTO-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@](C)(CCC)CNC2CC2)CC1	2018982499	MUBSOXMVBBLDLT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)(C)C)CC1(CC)CC1	2018989386	FDFWEDMRLQANRU-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](N(C)CCCC(C)(C)C)C1(C)CCCC1	2019325205	IUESIZNITREHNN-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CCC2=CCCCC2)CC1	2019783477	YVOAGDQQNPQUIC-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2024097361	XKNZBKHEBUPXCN-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](N[C@H]1CC[C@H](CC)C1)C1CCCC1	2025594489	CFVBKVWTSVTRCU-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCC[C@@H]2CC2(C)C)c1	2027832732	NAQOLZUHOIYWJE-HZPDHXFCSA-N	245.410	4.520	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H]1CCc2ccccc2N1	2027836908	NFKVAWPWBFUELX-GJZGRUSLSA-N	243.394	4.630	0	10	BJAE	
CC[C@H](C(=O)c1cccc2ccccc12)C(C)C	2028253675	YVPCWSZTBCCPDW-AWEZNQCLSA-N	240.346	4.705	0	10	BJAE	
CCC[C@@](O)(c1ccccc1C1CC1)C(C)(C)C	2028560371	PRFLTWLPLKMRSQ-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CC2CCC=CCC2)C1	2028873740	FQGUELLCQWUNFY-NVXWUHKLSA-N	249.442	4.668	0	10	BJAE	
C[C@@H](CC(=O)c1ccc(C2CCC2)cc1)C1CC1	2032228676	JXJOFEXZRMJXAR-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1cccc(C2(C)CC2)c1	2032300985	LQYUROAEZSEDNJ-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
C1CCCC(CCNCC23CCC(CC2)C3)CC1	2033445343	VCQRFGSQACHSHT-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@H]2CC[C@H]1C2)C1CCCCCC1	2035047060	OWOMFHKLLAKPLI-TXCZRRACSA-N	249.442	4.514	0	10	BJAE	
c1cc(N[C@H]2CC[C@H]3CC[C@H]2C3)cc(C2CC2)c1	2035049785	LZFVWBLHVLMXEL-PVUWLOKVSA-N	241.378	4.555	0	10	BJAE	
CCNC[C@@]1(C[C@H]2C=CCCC2)CCCC1(C)C	2035591729	WOODADBXTVBLLA-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCCNC[C@]1(C2CCCCC2)CC12CCCC2	2036098185	RKBIBGBHMPQOOQ-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C2CC3(CC3)C2)cc1	2036181449	CWEDQEDZEPYLTH-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)NCC1(C2CCCCC2)CC2(CC2)C1	2036197201	JIORYYVACADZCX-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)C[C@@H](C)c1ccccc1	2036383447	ONQXDXIZTDVARQ-VYDXJSESSA-N	248.410	4.613	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)cc1	2036666445	QMIPLCBNQTXWOK-USXIJHARSA-N	243.394	4.766	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CC1CCC=CCC1	2037210242	VBKRXLWJUBISKU-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
Cc1ccc([C@H](N)[C@H]2CCC[C@H](C)CC2)c(C)c1	2039364513	YKTOINZPLPPEDN-YLQAJVPDSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H](N[C@@H](C)C12CCC(CC1)C2)C1CCCC1	2039865385	OQRMHNNJOYXUPK-DKVOJFQGSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2(CNC(C)(C)C)CC=CC2)C1	2040170930	APVLYJGUNSKJDC-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H](C)C1CCC(C)CC1	2040632259	CMSDVEIBMRWIPF-QRMWWUJWSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)C1(C)CC=CC1	2042016379	JNNRFLCBLUUZLH-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(=O)C2CC(C(C)(C)C)C2)cc1C	2042999924	IFBQIZUMYGIRSQ-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
N[C@]1(C[C@@H]2CCC=CCCC2)CCCC2(CC2)C1	2045305454	PHFRIDUGHXGXCR-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1c(C)oc2ccccc12	2045584022	GIWPLSJDMWUZHL-LLVKDONJSA-N	244.334	4.750	0	10	BJAE	
CCCC[C@@H](NCC)[C@@H](c1ccccc1)C(C)C	2045762608	BABIINDGVGRTQI-IAGOWNOFSA-N	247.426	4.595	0	10	BJAE	
C[C@@]1(CNc2cccc(C3CC3)c2)CC=CCC1	2047727778	ARANDIOTDATTJW-QGZVFWFLSA-N	241.378	4.722	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@H]1CCC12CCC2	2047929280	PPWRVMGLAKUBGA-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](C[C@@H]1CCC12CCC2)C1=CCCCCCC1	2047934459	BOBJPSWOJHGLKG-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2[C@@H]3CCCCC[C@@H]23)C1	2048446120	GVSPZBFVDLSISI-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(NCC2[C@@H]3CCC[C@@H]23)cc1	2048459187	GJCBVCOTQOGHEU-APHBMKBZSA-N	243.394	4.658	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CC2)C1)[C@H]1CCCC(C)(C)C1	2049533466	RGBCHPIQQVZNNV-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCCC2(CC2)C1)C1CCC1	2049855537	JUWRFNDIJYWUPQ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Oc1cccc2c1CCC2	2050414044	NNRRZVMHLYCNGJ-CZUORRHYSA-N	244.378	4.523	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@H]1CCCCC12CC2	2053358804	QEAWQRUGZRJOIG-HNNXBMFYSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H]1CC[C@@H](CC)C1	2056877673	BTHLMBOFPMTKPC-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@@H]1CCC(C)(C)C1	2056884695	WWQUOHCFVRSYED-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)CC(O)(c2ccccc2C(C)C)C1	2058829979	QRGHXVVUTHLKQD-UHFFFAOYSA-N	246.394	4.598	0	10	BJAE	
CC=CCCC[C@]1(CNC2CC2)CCCC[C@H]1C	2059251865	CJTDQMHRZHAIJW-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(NC[C@@]2(C)CC=CCC2)C1	2059393283	CZJYOUZCEYNLHV-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)C1CCCCC1	2061097574	CQKRRGPPMSLDQR-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C2CC(=C3CCC3)C2)C1	2061730453	IHZZRJVVXIUGDM-QWHCGFSZSA-N	246.394	4.662	0	10	BJAE	
CCCCCC[C@H](NC)C1CC2(C1)CC21CCC1	2064005776	UNWFKLJCISRSKC-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CNCCC12CCC1(CCCCCC1)CC2	2065898394	SXHJGWINZNQZHF-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCCCC(C)(C)NCc1ccccc1C(C)C	2066391964	FLIUOGXTNDKGCJ-UHFFFAOYSA-N	247.426	4.868	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2068709745	DKNWZYZUJNAAQY-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068768171	ICIWPIDTFGEJRB-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@]12CCC[C@@H]1C2)C1(CC)CCC1	2070863748	CVUSFWJSCMCFKL-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CC[C@@H]2C2CCC2)CC1	2071786412	NRPKNWNSBVCJLM-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC(=O)CC1CC2(C1)CC21CC1)C(C)(C)C	2072230462	ZOFVNKQVGRBSJJ-SFYCDEOASA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(CN[C@H]2CC23CCCC3)CC1	2072795820	ITCCTJQLRQIOEL-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)[C@H]2CCCC3(CC3)C2)CC1	2072798111	GOBKATDKNBWDAK-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CC23CCCCC3)CC1	2072798956	OGGQLJMGFHNCPE-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCN[C@H]2C(C)C)CC1	2072813314	SRINSXBLCIAIGB-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C[C@H]([C@H]1CCCC(C)(C)C1)N(C)[C@@H]1C=CCCC1	2075084024	HTQNETZHDJMKGX-OWCLPIDISA-N	249.442	4.632	0	10	BJAE	
CCN[C@@H]1[C@@H](C2=CC[C@@H](C)CC2)CCCC1(C)C	2076401358	KMBDHVXOSBEFJI-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CCCCN(C[C@@H]1CCC=CCCC1)C1CCC1	2076757504	CIOLUESIWOCSON-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2079492586	RQHVRMZMHLDKHQ-REUDQUMMSA-N	248.410	4.908	0	10	BJAE	
CCc1ccccc1[C@](C)(O)[C@H](C)CCC(C)C	2081225563	YKDGUGOTIBLDOP-RHSMWYFYSA-N	248.410	4.529	0	10	BJAE	
CC1(C)CC(COc2ccccc2)CC(C)(C)C1	2082979181	LULJJSKADXICBO-UHFFFAOYSA-N	246.394	4.918	0	10	BJAE	
C[C@@H](C[C@H]1CC(C)(C)CCC1=O)c1ccccc1	2083037862	DDOFAPRFXMSMMY-ZFWWWQNUSA-N	244.378	4.576	0	10	BJAE	
CCCCC[C@H](NCCC)C(C)(C)CCC	2212116717	JOSLJLMYOFYXHV-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)CC(CC)CC	2212595180	BMWZOVPYIYJFEJ-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)CNc1ccc(Cl)cc1CC	2212627402	KDUIBZIOWFBJLI-LLVKDONJSA-N	239.790	4.751	0	10	BJAE	
CCc1cc(Cl)ccc1NCCC(C)(C)C	2212636480	JWOZKPHCJSVZCU-UHFFFAOYSA-N	239.790	4.751	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)CCCCCCC2CC2)C1	2213573850	MIDWLMVKQPOXOG-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)CCCCCCC1CC1	2213578786	PXNGVJBBXZDJIF-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
Cc1sc(C=O)cc1-c1ccccc1C(C)C	2214028802	BDXRYYDCFZZYEQ-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCN[C@@H](C(C)C)C1	2215271071	JDHNAUJYIHJICA-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
C(CCCC[C@H]1CCCNC1)CCCC1CC1	2216891122	HDJOTHJXWQFGKA-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
N[C@@H](CCCC1CC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218362324	WKKITAWVLAVETK-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CNC2CCC(C3CC3)CC2)CCC1	2218895069	PPVAPEJWMGECAZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1n1ccc2cccc(F)c21	2220310608	ISFCHEGCEDABSE-DOMZBBRYSA-N	245.341	4.922	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCC1(C)CC2(CCC2)C1	2220935924	MVZNASRUQIUMGV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@@H](C)C2(C)CCCC2)CC1	2221641445	VNUIQTKGEQOION-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)(CNCCCCCC2CC2)CC1	2221643803	PGMJABIGEJZJEA-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C(CCCNC12CCC(CC1)C2)CCCC1CC1	2223156359	ALZVYUBZYHAEJU-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1C[C@]1(CNC1CCC1)CC1(C)CCCCC1	2223553671	CQKNMSZNKBSYBE-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CC(C)(C)C2)CC=CCC1	2223595701	NQMVIYSFSDLRTQ-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
Cc1sc(C)c([C@H](O)CCCC(C)C)c1C	2243609029	FBBGMDUDLIGKCT-CYBMUJFWSA-N	240.412	4.533	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CCC1(C)C	2247387374	RNTMBJNOEOLJEJ-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCCNCC(C)(C(C)C)C(C)C	2248364720	YVGWFTHAMONPCL-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CCC[C@H](CC)C(=O)c1c(C)cc(C)cc1C	2250367942	BLXRAXIXLHLQRB-AWEZNQCLSA-N	232.367	4.621	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)c1ccc2ccsc2c1	2253075315	HQBVNNAMFJERJY-XHDPSFHLSA-N	247.407	4.583	0	10	BJAE	
CC1CC(C)(C[C@H](N)[C@H]2CCCCC23CCC3)C1	2253772617	PGQWJODIPWBJBR-FYRZTWFESA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C[C@H]1CCCCC12CC2	2253810464	DXQAGVQHLGQORL-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1cocc1C(=O)CC[C@H]1CCCCC12CC2	2253876159	VHOCIALMGUPWBS-CYBMUJFWSA-N	246.350	4.521	0	10	BJAE	
C[C@H](CC[C@@H]1CCCCC12CC2)[C@H]1CC[C@H](N)C1	2253889246	KEIJMPDGQSULRD-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CC2(CCCC2)C1)c1ccccc1	2254061914	ILDYILFAHMNMEX-UHFFFAOYSA-N	242.362	4.620	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2CC3(CCCC3)C2)[C@@H]1C	2254112997	HZBUNXRTBVFQIY-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@@H]2C[C@@H]2C)c(C)c1	2254586043	NXOWZIRIKOGWBV-YSVLISHTSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	2255020502	ZQDOYZJOEIVUGM-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]1[C@@H](CC2=CCCCC2)CCCC1(C)C	2255046689	ABXRHVTZNSELJW-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@H]1CCCC12CC2	2255229470	REQMDWVAUCKTQT-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(CC[C@@H]2CCCC23CC3)C1	2255330394	MZDINDZOBZIRKN-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1NCCCCCC1CC1	2256115588	OSQIGYMHYVZCLG-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CN[C@@H]2CCC[C@H]12	2259679817	XOVCJINBWVQZKW-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)[C@]23CCCC[C@@H]2CC3)C1	2260528222	RLNLBXKRUCKXBC-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CCC1(C(=O)C[C@@]23CCCC[C@@H]2CC3)CCCC1	2260578500	LXIZXYYYHNOEBJ-PBHICJAKSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)C[C@@]12CCCC[C@H]1CC2	2260648803	TYFRMDMDSUDMAL-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](Nc1cccc(C2CCCC2)c1)C1CC1	2260660308	DOEOSNGBFLTADH-KRWDZBQOSA-N	243.394	4.945	0	10	BJAE	
Cc1ccc(NCC2CC(CC(C)(C)C)C2)cc1	2261200757	LIONQVMVDJPSGF-UHFFFAOYSA-N	245.410	4.869	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@@H](C)CC1CCC1)C(C)C	2298906299	XXTCGKRKACHZRT-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCCCC1(C)C	2300684364	TUIPMDAUOODUPB-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1CCCCC12CC2	2300703494	GVDMLXVSGHDFHK-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)CCNc1cc(F)ccc1C(F)F	2300828262	JUYWIXVBVVPPIY-SECBINFHSA-N	245.288	4.611	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1(C(C)C)CCC1	2300876005	BDJMTNDHGHAGSO-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCN(C)CCCCCCC1CC1	2300889760	XMUVKXUSFCIKKQ-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CC(=CC[C@H](C(=O)O)C(C)C)CCCC(C)C	2300893559	TWUIRUCHCFFPNV-AWEZNQCLSA-N	240.387	4.506	0	10	BJAE	
CCC(C)=CC[C@]1(O)CCCC[C@@H]1C(C)(C)C	2300898376	CXGVRWYZWMICPJ-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC1CCC(CN)(CC2CCCCCC2)CC1	2301140673	QWXFWCKLBXDBTP-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC1CCCCCC1	2301148081	QGPTXWXDHZDNJP-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CC[C@H](O)[C@H](CC2CCCCCC2)C1	2301238835	KLCAVWYACUXJEI-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@@H](C)C1	2301912606	JVCMCNWYTKNVJW-DGCLKSJQSA-N	235.346	4.550	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC(C)(C)[C@@H]2C)c1	2302081063	XPOUTGSMNLXDBO-IUODEOHRSA-N	231.383	4.657	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCC[C@@H]2C[C@@H]21	2302987234	LKMJZHKBPDGBNW-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
O=C(CCC[C@@H]1CC[C@H]1C1CC1)c1cccs1	2303152337	XRSVTLRWSPPLHV-DGCLKSJQSA-N	248.391	4.537	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H](CC1CC1)C1CC1	2303857837	ILLFHJRHXMBZIT-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
S=c1cc(C2=CCCCC2)[nH]c2ccccc12	2304043226	GVTWAXJQQNXXRG-UHFFFAOYSA-N	241.359	4.855	0	10	BJAE	
CCNC[C@](C)(CC)CC[C@@H]1CCC(C)(C)C1	2304428022	IYLRNQJMIDVBAO-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC=C[C@@H](NCCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309181501	BIPJFFBATNSBFH-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@@]3(C(C)C)C[C@@H]23)c(C)c1	2310123284	BRLJEFKHTLSNOU-XIRDDKMYSA-N	243.394	4.540	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@@]12CCCC[C@@H]1C2	2311126470	GRVIVJYLVKPWJV-UAGQMJEPSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@]12CCC[C@@H]1CC2)C1(CC)CC1	2313330800	QFMPIBAXODUUIA-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@]1(CN)CCCCC12CCC2	2313581433	RUQCPLFFEXKOKE-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
C[C@H](CC1CC1)[C@@]1(N)CCCCC12CCCCC2	2313600456	QURPCZRMHGSPOH-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCCCc1ccc([C@@](C)(O)[C@H](C)C(C)C)cc1	2317903867	IZGKHMLFYKYDFD-PBHICJAKSA-N	248.410	4.529	0	10	BJAE	
CC[C@@](N)(CCCC1=CCCCC1)[C@@H]1CC1(C)C	2318548056	IOBSPQNGECBJEM-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)CC1CC2(CCCC2)C1	2318939014	PCUBXJXMXLPQOC-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H]1CC[C@H]1C1CC1)NCC	2319587156	GAOREYRZKOPUAU-IXVCQNTISA-N	249.442	4.537	0	10	BJAE	
CC(C)C(=O)C[C@H](c1ccccc1)C1CCCC1	2319678021	UDLGKKBQMDKTBW-MRXNPFEDSA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CCC(=O)c1ccccc1	2320240791	OROYKXGNZLEHTQ-DZGCQCFKSA-N	244.378	4.722	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H](C)CC2CCCCC2)CC1	2320418225	AGXQAHIOKYDURE-RDJZCZTQSA-N	249.442	4.824	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1cccc(C(C)C)c1	2320582915	WTPIMFDQHWYNBK-YOEHRIQHSA-N	248.410	4.916	0	10	BJAE	
CCCCCCc1ccc(CC(=O)CCC)cc1	2327926083	FXFSRMKNJXKEIC-UHFFFAOYSA-N	246.394	4.721	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc(C)c1C	19978684	HYBNBMXLTQZQDJ-CYBMUJFWSA-N	219.372	4.684	0	10	BJAE	
c1ccc(-c2ccc(NCc3ccco3)cc2)cc1	35806145	YLTURTTVHCAZLN-UHFFFAOYSA-N	249.313	4.559	0	10	BJAE	
CCCCCC(=O)c1c[nH]c2cc(Cl)ccc12	36947543	XDMBQBSYGKGJBS-UHFFFAOYSA-N	249.741	4.584	0	10	BJAE	
CCC(CC)[C@H](N[C@H](C)C(C)C)c1ccccc1	37107778	WQWRZXRCVXXLLG-PBHICJAKSA-N	247.426	4.798	0	10	BJAE	
Cc1cc(C)c(-c2ccc(Cl)c(N)c2)c(C)c1	61692267	UMSVYMDHAITLQN-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCCC[C@@H](CC)Nc1cnc2ccccc2c1	69373204	DIMHJCKKJOQZHE-CQSZACIVSA-N	242.366	4.616	0	10	BJAE	
Cc1ccc(Nc2ccc(F)cc2)cc1Cl	82715734	MHDXFCGSEUMJLN-UHFFFAOYSA-N	235.689	4.531	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@@H](C)C[C@@H]1C	85097354	CQCUVIYWTQSFNJ-IJEWVQPXSA-N	245.410	4.876	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(F)cc2C)CC1	86893982	LANLZLMDNYMWCD-DZGCQCFKSA-N	249.373	4.905	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(C2CCCCC2)CC1	86951491	KDAPEQOKTUFRPH-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H](C)c2ccoc2)cc1	94867978	GZSUGMYLGYMRCA-OLZOCXBDSA-N	243.350	4.966	0	10	BJAE	
Cc1cc(C(F)(F)F)ccc1-c1ccccc1	95932289	URQXDGUKMRMENJ-UHFFFAOYSA-N	236.236	4.681	0	10	BJAE	
CCC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C	107635092	PWBRKAFAEDUIKG-INIZCTEOSA-N	232.367	4.529	0	10	BJAE	
CCCCCC[C@@]1(N)CCCC[C@H]1C(C)(C)C	109704403	RQOYBRKBJCRWSU-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](CC)c1ccccc1	111666010	VERARLRBZNSWCW-CJNGLKHVSA-N	233.399	4.552	0	10	BJAE	
O=C1CCCCC[C@@H]1CCCCc1ccccc1	122112680	ZKMARNKTTXSCKM-MRXNPFEDSA-N	244.378	4.549	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccc2ccccc2c1	148094545	VADGOIYZIIFLAS-QGZVFWFLSA-N	242.362	4.700	0	10	BJAE	
CC(C)c1ccc2sc(CN)c(C(C)C)c2c1	161584905	VUEPAZKJKMIPNX-UHFFFAOYSA-N	247.407	4.607	0	10	BJAE	
CCCc1ccc([C@@H](O)C(CCC)CCC)cc1	212113837	XXLCNQBWTYGYFU-KRWDZBQOSA-N	248.410	4.889	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c(C)c1	220648200	PWJQBCFMLJMDGA-DVOMOZLQSA-N	245.410	4.848	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC[C@@H](C)CC1)c1ccccc1	226501548	KDTPENPMQAEEIJ-DJIMGWMZSA-N	245.410	4.696	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCC[C@@H](CC)CC1	226517226	HERSPXUQKAJLBC-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
CC(C)CCCN[C@H]1CCC[C@H](CC(C)C)C1	230770134	MJJZTRQMWRMNRX-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1Nc1ccc(Cl)cc1	235240380	YPVWERJLLBDGPC-MFKMUULPSA-N	237.774	4.577	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(C)c(CC)c1	300895669	PHCGEZLGRZESJX-AWEZNQCLSA-N	219.372	4.548	0	10	BJAE	
Cc1cc([C@@H](N)CCC(C)(C)C)sc1Cl	300935170	VLQFLZUXFDNQST-VIFPVBQESA-N	245.819	4.536	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H](C)CC(C)C	300973244	SKCTWRPFLBYZMH-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)C)c1ccc(C)cc1C	302262899	CBCDHSSLTUVXQX-YOEHRIQHSA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1CCc2ccccc21	302351442	WMPHVUAQNFMYJA-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1C)[C@@H](C)CC(C)C	302569896	OVVWTIIIDKHIBW-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
Cc1c(Cl)cccc1NC(C(C)C)C(C)C	304602996	VPYKIAQRXUVJPC-UHFFFAOYSA-N	239.790	4.741	0	10	BJAE	
NC[C@H]1CCCCC[C@H]1CCC1CCCCC1	305937104	KWEVRQNOGKXUOX-JKSUJKDBSA-N	237.431	4.502	0	10	BJAE	
CCc1ccc2scc(SC)c2c1Cl	306974822	MUVYSJPGNHJHKD-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
C[C@H](CCCC(C)(C)C)[C@@H](O)c1ccccc1	309993977	PPLLRSJBFYSOIP-UKRRQHHQSA-N	234.383	4.573	0	10	BJAE	
Cc1cccc(C)c1C(=O)CC1CCC(C)CC1	310980727	JQVFTHRJQLTONN-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
Cc1oc(C)c(C(=O)C[C@H]2CCC[C@H](C)C2)c1C	311026161	RWCRHBMZSOKPLS-HZMBPMFUSA-N	248.366	4.604	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)c1ccoc1C	311193572	FIRHLWFFSSDOAN-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@@H]1CCCC12CCCCC2	313123384	SMLLRKKDNBEATN-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCCC(C)(C)C)CC1	313263652	DFSDJLQRSYXYAV-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CNC[C@@]1(CCCC(C)(C)C)CCCC[C@@H]1C	316796331	LJZDHYNAOQFYPL-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(CC)CNC(C)C)C1	317529482	UIECZUBTDVKSRR-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC12CCCC2)C(C)C	379924228	RQMPJZGHYNAXCF-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](N)C[C@H](C)CC(C)C	380564217	WYLWYQXNQPJWKB-OIISXLGYSA-N	247.426	4.580	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C[C@H]2CCC[C@H](C)C2)c1	381013648	MSZYCODVAHUYTM-YLQAJVPDSA-N	246.394	4.553	0	10	BJAE	
CCC[C@H](CCCCCCCC(C)C)NC	383154502	ICQIAIMXVCPFQP-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CC(C)CCCCC[C@@H](C)[C@@H](C)CNC1CC1	383236866	UQPOZPIOMHBJIK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@@H](N)CCCCCC(C)C)cc1	383261448	LXBPCZORZKPDDO-INIZCTEOSA-N	233.399	4.601	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCCC1(C)CCCC1	383502089	FMBIJDDKCUBNPJ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@@H](C)CC(C)C	383772137	HXJDZLDFDJSKBS-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(C)c(CNc2cscc2C)cc1C	387299432	JMTHHALTZCVJJQ-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCCCCC[C@H](O)C(CC)(CC)CC	395176973	GKAWELPUZZNWRP-ZDUSSCGKSA-N	214.393	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)C1CCCC1	395653676	MTOUBOMMVHHTOC-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCOc1c(CC)c(Cl)cc2sccc12	396189397	LXDHAZCELBKYAD-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1c(C(F)(F)F)ccc2c(S)csc12	396291281	BMYVXHMZYUBXJX-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@](O)(C[C@H](C)CC(C)C)[C@H]1CC1(C)C	397625625	MQNYXYVZZAMYIN-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@H](C)C1CCC1)NC	398695818	IDTYZAXFJFRTIV-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC1CCC1)C[C@H](C)C(C)(C)C	688370325	UNJJEAWJTJRYQY-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@@H](CC)CC(F)F	688729287	HWWGJMZURPDHIK-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCc1cc(C)cc(CC)c1NCCCC1CC1	690207131	MOHPUHIWAPWEIL-UHFFFAOYSA-N	245.410	4.722	0	10	BJAE	
CCCC1CCC(NCC2CC3(CCC3)C2)CC1	691927284	GSQGZZBQCQCMGX-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC1CCC2(CC1)CC2	695698411	FFNPPVJPCDBBKF-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)c1ccsc1C	696204288	ABHQGSURIDOXBJ-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@](O)(CCC(C)(C)CC)C1CCC1	696701821	BCIKKFZLCDSYPY-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](C)[C@H](N)c1ccccc1	696799060	IVOSOLMHPYYYQD-ZFWWWQNUSA-N	233.399	4.539	0	10	BJAE	
CCC(C)(C)CC(=O)CC/C=C/c1ccccc1	697210858	OCNRFYKYXVVACE-XYOKQWHBSA-N	244.378	4.875	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@]1(C)CC[C@H](C)C1(C)C	701108565	AWCNHXUWGHZKSX-XEZPLFJOSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)(C)C)C(C)(C)CC	701132503	POFDOSXAJGQXMP-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCCC)C(C)(C)CC	701185752	SVPLDRYZXFXFGN-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC1CCC(C(=O)C(C)(CC)CC)CC1	701320987	LLANNCKHINPAFC-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
O=C(CCCC1CCC1)c1sccc1Cl	701529015	GODILXRGSSPPDA-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H](C)CC(C)(C)C	704732494	DWZFKSJIBLGFDY-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](C)(N)CCC(C)(C)C	704839926	AOENTXDXIMEMGB-UKRRQHHQSA-N	227.436	4.602	0	10	BJAE	
CC(C)CCCC(N)(CC(C)C)CC(C)C	704898800	YASQIGQJFAQUFZ-UHFFFAOYSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1C[C@H](C)CC(C)(C)C1	708308073	OVDUEBGZTVEAEN-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H](C)[C@]12CCCC[C@@H]1C2	708879430	NQFQXPPEYVHHGY-MUIFIZLQSA-N	249.442	4.514	0	10	BJAE	
C=C/C=C\CC[C@@H]1CCCC[C@@H]1CNCC(C)C	713702512	AUAFHNAKGHCASM-MBZYTVFJSA-N	249.442	4.561	0	10	BJAE	
C/C=C/C[C@H](C)c1c(C)c(C)cc(C)c1C	714560691	MWYQEPYTPRNTCM-AEZGRPFRSA-N	216.368	4.990	0	10	BJAE	
CC(C)=C(C)CCNc1ccc(C(F)F)cc1	718568514	UKKLMEXUUKAISU-UHFFFAOYSA-N	239.309	4.783	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)CCC(C)=C(C)C	718701929	SJAGVTRQPCIRKA-OAGGEKHMSA-N	238.415	4.700	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1cc(C)cc(F)c1	1650711862	HJTCWQSQXWOEQN-CJNGLKHVSA-N	247.357	4.538	0	10	BJAE	
Cc1cccc(SCc2ccc(Cl)cc2)c1	1652623981	FTGSMRILWCLKHU-UHFFFAOYSA-N	248.778	4.941	0	10	BJAE	
CC1(C)CC(N[C@H]2CCCCC23CCCCC3)C1	1875421041	XOBUXOFCHQVXDL-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1CCCCCC1	1900703249	RKICYDUSISEIDT-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCCCCc1ccc([C@@H](C)OC)cc1	1901882895	MCIBZOQYNHDIIJ-CYBMUJFWSA-N	220.356	4.517	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)CCC1CCCC1	1905445949	SJDJJBRZCBJHQQ-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@](C)(O)CCC=Cc1ccccc1	1911947955	NYOXHAPEUSWPKG-KRWDZBQOSA-N	246.394	4.811	0	10	BJAE	
CCN[C@H](CCC=Cc1ccccc1)[C@H](C)CC	1911960622	HMJQJAGFFMYFLF-NVXWUHKLSA-N	245.410	4.504	0	10	BJAE	
O=C1CCCCCCCC[C@H]1[C@@H]1C=CCCC1	1913391384	VKVNCJUUBOGAHM-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
CCCC[C@](O)(CC)c1cccc2ccsc12	1919538573	PFHSDYXDJRTTHQ-OAHLLOKOSA-N	248.391	4.689	0	10	BJAE	
CC(C)CC[C@@](C)(O)c1ccc(CC(C)C)cc1	1919643642	HCXGDBYMJTYYEZ-QGZVFWFLSA-N	248.410	4.529	0	10	BJAE	
CC[C@@H](NC[C@@H]1CCCC12CCC2)C1CCCC1	1921625871	WNNVXEZENZCDIE-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC[C@H]1CCCC12CCC2	1921636411	OATVCYUYUOPPSJ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(CO)C1CCCC1	1923909981	WLDYHBTVFLHORO-ZBFHGGJFSA-N	240.431	4.782	0	10	BJAE	
C[C@H](C[C@H](N)C[C@H]1C=CCCCC1)C(C)(C)C	1925900402	GDTORBNZKHBCHI-ILXRZTDVSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)C[C@H](CCC[C@@H]1CC1(C)C)NC	1926381806	LQQADGAUFZPCHM-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C1CC[C@@H]2[C@@H](C1)C[C@H]1[C@@H]3CCCC[C@@H]3C[C@@H]12	1933278071	HYWZGHCYRBLPFH-GEONZQJFSA-N	218.384	4.639	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](O)CCC1CCCCC1	1940857000	SJLHEDVDVARKNI-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)CCCC2(C)CC2)CC1	1940876929	NXZLOJUZSFJNLV-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@](N)(CCCC2CCC2)CC1	1941461915	IZCYGYPAPFHCQS-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)CCCCCC1CC1	1941579580	PRENNQAGUCHUJD-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC1CCC=CCC1	1941791386	DESRKSFBRZENEX-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@H](C)CCC(C)C	1942660501	QTIOGDPGUSFJLV-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)c2cc(C3(C)CC3)ccc2n1	1944605504	GXQGBZZYZRHXPG-UHFFFAOYSA-N	245.753	4.502	0	10	BJAE	
CC1CCC(CNC2(C)CCCCCC2)CC1	1945606088	UMFYREHOWNWNRZ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H]2C(C)C)cc1C	1947461828	KAYLLHDTSCFIQZ-JKSUJKDBSA-N	231.383	4.540	0	10	BJAE	
CCCNC[C@](C)(CCC)CCC(F)(F)CC	1947888825	ONHKAYNHTIPNGW-CYBMUJFWSA-N	249.389	4.618	0	10	BJAE	
CC[C@H](NC1CC2(CCCC2)C1)c1cccs1	1948472623	GLRRSPQYLFUFPL-ZDUSSCGKSA-N	249.423	4.512	0	10	BJAE	
CCCC1([C@H](N)CCC[C@@H]2CC2(C)C)CCC1	1949054288	LDUXVUCHROSBJB-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(S[C@H]2C=CCCCCC2)ccc1O	1949783092	KPTJUFXNPIOWKF-ZDUSSCGKSA-N	248.391	4.682	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC1CC2(CCC2)C1	1949840959	JWGUARSVIGNKLZ-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC1(N)CC2(CCC(C)CC2)C1	1950561232	TUOJMBXXGCSGMN-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@]1(CN)CCCC(C)(C)CC1	1950914405	PLJNSVNRYGODLS-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@@H]1CCC[C@@H](C)CC1	1950930155	MYJUZQNRUQNEKY-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(NC2CCC3(CCCC3)CC2)C1	1966053664	TVKKCAQQLYCXIS-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](CC)NC1CCC(CC)(CC)CC1	1969089048	PDHMNIDNZXLMKC-AWEZNQCLSA-N	239.447	4.904	0	10	BJAE	
CC1(C)CCCC[C@@H]1CN[C@@H]1CCC12CCCC2	1970081144	BSEPLDFMTYZTGB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NCC(C)(C)C1CC1)c1ccccc1	1970095042	OLHZZMYXACMLMS-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](NCC(C)(CC)CC)c1ccc(C)cc1	1973315600	KJQKSHLBQASDJU-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)CCC1CC1	1975841403	FGNVSKNQLQFSQT-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@](N)(CC)C1CCCCC1	1975998662	PTTLNHHLSGGDIE-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCCC[C@@H]1CC	1978423277	MEHVGQQPXJHJKW-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCCN(C[C@H](C)CC(C)C)[C@@H](C)CC	1978895604	CCGOQBYIEGFFFK-CABCVRRESA-N	227.436	4.569	0	10	BJAE	
CCCC[C@@](O)(CC)CCC1=CCCCC1	1991144950	YWLVQSZAQNSACG-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
C[C@H](CN(C)[C@H]1CCC[C@@H](C)CC1)C(C)(C)C	1997209474	XAJQESDQYNAHFW-KFWWJZLASA-N	239.447	4.569	0	10	BJAE	
CC(F)(F)CCC(=O)C[C@H]1CCC=CCCC1	1999987642	IBHAUIVEIIUBAG-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
CCN[C@@H]([C@@H]1CCCC(C)(C)C1)C(C)(C)CC	2000038329	OPJOOGSGWQYNLQ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](NC)[C@@H]1CCCC(C)(C)C1	2000062718	OEXMSMYYQLOWKO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccc(C(F)F)cc1	2000190896	VAXPXKMPGVTHNT-SNVBAGLBSA-N	240.293	4.633	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(O)CCCC2CCC2)C1	2002999578	VNQYHQJWGBNYSG-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
O[C@H]1CCCCCCC[C@H]1CCCC1CCC1	2003112635	WRXYMUZYRSBGMV-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1CC(C)(CC)C1	2004223876	ALTXHPWVYLKQAP-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@H]2CC[C@H]21	2004797502	OGZJYVTZNOQNSK-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)C1(C)CCC1	2004832185	BEQFGVYJOGCLJZ-ZDUSSCGKSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](N)C[C@@H](CC)C1	2006628414	PMDUGORZMDUZJE-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CC1(CC[C@@]2(O)CCCC[C@@H]2C(C)(C)C)CC1	2009544345	OSNXGVNZGSJCHG-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCCC(=O)C[C@H](C(F)F)C(C)(C)C	2009572548	PWGKTKZICAQDRJ-BTDICHCPSA-N	246.341	4.619	0	10	BJAE	
C/C=C/CCC[C@@](C)(O)[C@H]1CCCC(C)(C)C1	2009591150	UYSUDWYSFUNNDE-HMRWBYCRSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCCC1(CNC)CCC(CC)CC1	2009627352	ILZOQZVMZXYBNV-GQCTYLIASA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H]1NCCC12CCC(C)(CC)CC2	2009768971	DXLSTRNWKUSCCP-QQFBHYJXSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C1=CC[C@H](C)CC1	2010622380	KVLWKKNRBOZSSW-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(N)[C@@H](C)CC(C)C)CC1	2010741465	AUTGFTARMWWDCX-SQWLQELKSA-N	237.431	4.523	0	10	BJAE	
Cc1ccc(OCC2CC(=C3CC3)C2)c(Cl)c1	2011064894	BDWPKHKCNICXOX-UHFFFAOYSA-N	248.753	4.528	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCCCCC12CC2	2011273586	CMUANPZAQPLOOR-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCNC[C@@](CC)(CCCC1(C)CC1)C(C)C	2012409226	FVFRZQSFQSXNBG-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@](O)(CCC(C)C)[C@H]1CCCC(C)(C)C1	2013264590	OBFCTAJRCFRKNA-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NC1CC(CC(C)(C)C)C1	2014657679	NJAAIVJVCOHTDM-DNDYEEKYSA-N	239.447	4.616	0	10	BJAE	
CC(C)C(C[C@@H](N)CC1CCCCC1)C(C)C	2015285089	SWHYWCNFDNFLIP-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C[C@H](N)C(C)(C)C(C)(C)C)C(C)C	2015285620	YFRIGKDLEPSEAC-AWEZNQCLSA-N	241.463	4.704	0	10	BJAE	
CC(C)C(CC[C@]1(O)CCC[C@@H](C)C1)C(C)C	2015335658	MQOXCBPVVXZEEM-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)N(C)CCC(C(C)C)C(C)C	2015394514	OYWDNLMUCWVZIB-HNNXBMFYSA-N	241.463	4.815	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CC(C(C)C)C(C)C	2015395873	BRGNFVRGRKAKQB-HNNXBMFYSA-N	241.463	4.848	0	10	BJAE	
CCCC1(CCC2(CO)CC(C)(C)C2)CCC1	2015642062	LXVXPELXRFERCE-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C2(C(C)(C)C)CCC2)C1	2017133385	RBXWXCBCKPCMGL-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C(CC)CC)C1(C(C)(C)C)CCC1	2017139552	WQETYSQQXUXALO-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(N)CC(CC)C2)CC1	2017728907	QGGMTKHWRJOQOW-DICYVTDZSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@H]2C[C@@H](C)CCC2=O)CC1	2017775933	IPCDBWZOPRUIAF-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CN(C1CCCCCCCC1)[C@@H]1C=CCCC1	2019288511	WRTQDYLVDITNGJ-MRXNPFEDSA-N	235.415	4.530	0	10	BJAE	
CC(C)CCCCCN1CCCCCCCC1	2019340403	NHLUYMQINORZLR-UHFFFAOYSA-N	239.447	4.859	0	10	BJAE	
CCCc1cc(Cl)c2cccc(C3CC3)c2n1	2021026909	JKBXWZZWCYQTLP-UHFFFAOYSA-N	245.753	4.718	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1C[C@@H]1C1CCC1	2022311708	DPUBTOVJZRRVSL-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1cccc(C(C)C)c1	2022492067	GUIPNPMWBWTRFE-HUUCEWRRSA-N	231.383	4.658	0	10	BJAE	
CCC[C@H]1C[C@H]1CCC(=O)CC1CCCCC1	2022554578	PMHHOUNFSZSZGL-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)CCCCC(C)(F)F	2023301138	DDGDFJNDRJFSKG-JSGCOSHPSA-N	248.357	4.533	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1C[C@H]2CCC[C@H]1C2	2026239177	JNWWJIMXPDXLBV-OBJOEFQTSA-N	249.785	4.639	0	10	BJAE	
C[C@H](N(C)C1CCCCCC1)[C@]12CCCC[C@H]1C2	2027017437	OQCURCMJOXRMHD-YQQAZPJKSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](CCC)Cc1ccccc1C(C)C	2027464889	FNSMXCWWFPDBRI-MRXNPFEDSA-N	247.426	4.521	0	10	BJAE	
CN(CCC1CCCC1)[C@H]1CCC12CCCCC2	2027645534	KNNCKWPXUYZYFD-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC[C@@H]2CC[C@H]21	2027976594	YNTZTSOFAWACCR-YLFCFFPRSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NC)c1ccccc1CC	2028251741	JACKFKMHJLSFCG-RDJZCZTQSA-N	247.426	4.582	0	10	BJAE	
CCN[C@@H](c1ccccc1C1CC1)C(C)(C)CC	2028560361	PPWGSYPTCZQUFQ-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCCCCC[C@H](N)c1ccccc1CC(C)C	2028922119	OFOLQKSEUICIBQ-KRWDZBQOSA-N	247.426	4.855	0	10	BJAE	
CC1(CCC[C@@H](N)c2ccc(C3CC3)cc2)CC1	2029077855	KJNXCZGUHXDWSD-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C1(C)CC(C)C1	2029106366	UEGPEADVAZLQHC-ARWYELJZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)[C@@H]1CC12CCC2	2032131942	MUEBOPBHJWKXFZ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CCN[C@@H]1CCCCC12CCCC2)C1CC1	2032224064	LXBZOBHARGQRJC-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CC(Nc2ccccc2C2(C)CC2)C1	2032243354	UIKFYNFMFCXISI-UHFFFAOYSA-N	243.394	4.585	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC12CCC(CC1)C2(C)C	2033411359	CYGNQKPBBBYFEL-HCEZTOJASA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)[C@@H]1CCC1(C)C	2033570895	MKQSEIGRAKIBQF-HOTGVXAUSA-N	245.410	4.507	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2C=CCCC2)CCC[C@H]1C	2035601004	NVIKRTFMKURIHE-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1NC1CC2(CCCC2)C1	2036539450	SHUCEDRMYFQOFC-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC([C@H](N)C[C@@H]2C=CCCCC2)C[C@H](C)C1	2037270827	VHOBSOGSXFFELE-KCYZZUKISA-N	249.442	4.523	0	10	BJAE	
c1ccc2c(N[C@H]3CCC34CCC4)cccc2c1	2037479870	YUYNFMKEMMCICT-INIZCTEOSA-N	237.346	4.584	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CC1C[C@@H]2C[C@H]2C1	2038329570	CECSMYCTWZVXBO-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2C[C@H]2CC1)C1(C)CCCCC1	2039869375	ZDRQDJVRZFPGPJ-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@]2(N)CCCCC23CCCC3)C1	2040167132	VWEXPYFYFMOWLI-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2[C@@H]3CCCC[C@@H]23)CC1	2041375736	JWKURUZEJYADGG-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)[C@]1(C)CC=CCC1	2042019778	QZLHNAUQOZWJQK-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@]2(C)CC=CCC2)c1	2042023377	AUKVCXFOWSHLIG-DLBZAZTESA-N	243.394	4.556	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@H]1[C@@H](C)[C@H]1C	2043292786	OVHCDYPRXGCOLB-YALNPMBYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C(C)(C)C1(C)NC[C@@H]1CCC=CCCC1	2045324761	YPSIVEBPCWOMAE-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C(=O)c2cc3ccccc3o2)CCC1	2045569469	NYSUQELMMCUEFJ-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C1(CCC)CCC1	2045813402	PPHKVGPRUFEYPP-INIZCTEOSA-N	249.442	4.847	0	10	BJAE	
C[C@H]1CCCC[C@H]1N1CC[C@@H](C)c2ccccc21	2046578643	FYNIFZURINLBGX-IJEWVQPXSA-N	243.394	4.579	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H]1CC12CCCCC2	2047054700	GIGCSLAFOYJVMH-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047424377	KMFKCSVLPQREIK-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048467801	WRZTYGNKDBFGAN-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2048468338	FDLUPBSELOCZSY-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@@]1(C)C=CCCC1	2050006444	NDQDMYXJNQRFQA-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NC1C2CCCC1CCC2	2050041555	JROZZIGMKTZOMS-MOINJDMASA-N	249.442	4.514	0	10	BJAE	
CCC1CC(C[C@@H](N)c2ccccc2C(C)C)C1	2056645964	QCWDASGYGMCSFH-MQBCKMQZSA-N	245.410	4.636	0	10	BJAE	
N[C@@H](CC1CCCCCC1)CC1CC(C2CC2)C1	2056650780	KASHLTRFMIFMNS-PREGVCBESA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(C2CC(C3CC3)C2)CC1	2057826731	NROYLDGIVBDDQU-LYAPFXNSSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@](C)(N)c1ccc(CCC)cc1	2059204085	RUJRGCPLWRAHKG-YXMMZVCTSA-N	245.410	4.559	0	10	BJAE	
CN[C@@H](C1=CC[C@H](C)CC1)C1(C)CCC(C)CC1	2060920155	CBSFXOOAACSWDV-SMOLVSOFSA-N	249.442	4.537	0	10	BJAE	
CN(C1CCCCCC1)C1CC2(C1)CC(C)(C)C2	2061109684	VNNRSYGZJJWWNT-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C1=CC[C@H](CC)CC1	2061148992	ZELQTOFMXMYNIW-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(N)(CC[C@]23CCC[C@@H]2C3)CC1(C)C	2061617261	OFYIIIOAPIOFMW-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1NC[C@H]1C[C@@H]2CCC[C@@H]2C1	2063472279	RXIOVFASJODUEW-PHZGNYQRSA-N	243.394	4.542	0	10	BJAE	
CC1(C[C@]2(O)C=CCC3(CCC3)C2)CCCCC1	2063679230	XQPGYPFPPFPTNF-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CCCc1cccc([C@H]2CC(=O)CC(C)(C)C2)c1	2063726041	KDXKOEGJWDAZSR-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C12CCCC1CCC2	2063831892	ZNDFXAIGKIWYAV-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC(=CCCNC(C)(C)C)CC12CCC(CC1)C2	2065338032	DOXKGGKOBUMMDZ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C1(CC2CC2)CC1	2069507521	ROQAXYDYWLWSFJ-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC[C@H]1C1CCC1	2071783025	OJLGMMSDWNJGAH-HOTGVXAUSA-N	243.394	4.548	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)c2ccoc2C)CC1	2072800389	DDTFKAJDZJIKRS-DZKIICNBSA-N	249.398	4.584	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2C=CCCC2)CC1	2072873322	NBBSQUMUHPBITO-UYSNPLJNSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@]12CCCC[C@H]1C2	2074032460	FPSRZUJUGMXKPK-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2CCNC3(CCCCC3)C2)C1	2074142577	UHLDTEUIMZZXQH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN(C)[C@@H]2C=CCCCCC2)C1	2074811203	UFCIBMKAKOBSLD-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1CC(CC2CC2)C1	2077196516	UNNROPUFOKIIKF-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@](C)(CCC23CCC(CC2)CC3)CN1	2078864658	JAQQQSPYOFYRMN-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@H]1C[C@@H]1C1CCCCC1	2079426399	ARVFZRXTTUSNIB-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCC1)[C@@H]1C[C@@H]1C1CCCCCC1	2079426636	CDWJISALEPKGFX-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2079481024	AWXTTWJDOWNZCH-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(NC[C@H]2C[C@@H]2C2CCCCC2)c1	2079643918	ZCSKTRNDPBCHRH-NVXWUHKLSA-N	243.394	4.623	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)c1cc(C)cc(C)c1C	2082929168	AVYZGNYXVYNTRG-GUYCJALGSA-N	247.426	4.699	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@H]2C=CCCC2)c1	2082957630	MEUCRBKBJVVHIY-HNNXBMFYSA-N	242.362	4.541	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](Nc2ccsc2)C1	2212099511	FRFDUEHGTNPUKN-RYUDHWBXSA-N	237.412	4.765	0	10	BJAE	
Cc1cc(Cl)cc(OCCCC2CCC2)c1	2212534446	ZFBDWPTXDAJKHO-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CC1(C)CCC[C@@]1(O)CCCCCCC1CC1	2213580695	NQOIUCSOXJEGDU-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC[C@H]1C[C@@H]1CC	2215345529	KJQXHSQACVMLQC-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(O)CCC[C@H](C(C)(C)C)C1	2216251517	FREYYEVCCAQJHF-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)C[C@H](O)CCCCCCCC1CC1	2216896591	PRECPOHTYBKCDT-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H](CCC1CCCCC1)CN[C@H](C)CC	2217144364	FGTGSUANBHYRFI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C(CCC[C@H]1CCC[C@@]12CCNC2)CCC1CC1	2218719194	WMSIANQTEJJJLG-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
C(CCC[C@@H]1CN[C@@H]2CCCC[C@H]12)CCC1CC1	2218727945	STKWNWYZOAEUIJ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCN(CCCCCCC2CC2)C2(CC2)C1	2218749585	JPOHWFXTLYQTMY-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CC2CCC=CCC2)CC1	2221619256	OWUOVXNMXZNDRH-IRXDYDNUSA-N	247.426	4.587	0	10	BJAE	
Cc1ccc(O)cc1-c1cc2sccc2s1	2246027430	MYXUYRPHUGEIEK-UHFFFAOYSA-N	246.356	4.644	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)c1csc(C)c1C	2246379349	WOLLIUJSFDPMJG-IINYFYTJSA-N	248.391	4.540	0	10	BJAE	
CCCC[C@](C)(CNCC)CC1(C)CC(C)C1	2246531784	JCOFCZJQQYIVTH-PCKAHOCUSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1CCCCC12CC2	2246616868	GWJIKYDCELBSGT-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCCCC(=O)C2)C1	2246664883	QLERHWPEMQQQNM-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC[C@H]1CCC[C@@H](C)C1	2246723887	BYTOXCKLVSQGOW-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](CC1CC2(CCCC2)C1)NC	2246815670	RKXJQPKINSBEPU-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)NCCCC[C@@H]1C[C@@H]1C	2247093382	SCGDEGILJXGOES-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CC(=O)c2csc(C3CC3)c2)C1	2248069099	LQGYDPLDOAPVBH-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CCCCC[C@@H]1C[C@H]1C	2248809255	RAKSLKZTVDOMHE-ZJIFWQFVSA-N	239.447	4.747	0	10	BJAE	
CC[C@@]1(C)CCN1CC[C@@H](C)CCCC(C)C	2250466581	GKZLZMHZWRKOSE-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@H](N)C(C)(C)C	2250473284	IEXXBIQBVMBUDV-GJZGRUSLSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)CC1CCC1	2250487575	CGEMFPOQLXLFAY-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(O)CCC[C@@H]1C	2250496029	NZHOBTZQYXFFNX-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H](C)[C@@]1(O)CC(C)(C)CCC1(C)C	2251679323	SBAKSIMKGOOYLX-CJNGLKHVSA-N	240.431	4.636	0	10	BJAE	
NC[C@@H]1CCCC[C@@H]1CC[C@H]1CCCCC12CC2	2253887636	YETIFJLCRZLDOJ-OWCLPIDISA-N	249.442	4.502	0	10	BJAE	
CC[C@]1(CC2CC3(CCCC3)C2)CCCCCN1	2254082652	SAHGLDGBLCBBQD-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CCC[C@](N)(CC2CC3(CCCC3)C2)CC1	2254121478	CPZABNPCEKNAOF-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H](N)[C@]12CCCC[C@H]1CCC2	2255007639	BZYYWIBRWHASIX-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC[C@@H]2CCCC23CC3)C1	2255266623	AVIBGMGXUMKSFW-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(N[C@H](C)[C@@H]2CC23CCC3)ccc1C	2256450816	FOZVJNJQEQQEJM-CJNGLKHVSA-N	243.394	4.548	0	10	BJAE	
CCCC1(CC2[C@H]3CCC[C@H]2CC(N)C3)CCC1	2257988858	SRIIVEBOPGMGJH-FXQLRMTLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cccc(C(C)(C)C)c1	2259431786	XSDUAVQTXOKMAG-CZUORRHYSA-N	247.426	4.810	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](C)c1ccc(CC)cc1	2259466065	YLPONYLFCWVBPE-HOCLYGCPSA-N	247.426	4.726	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccc(CC(C)C)cc1	2259467038	UTOSUBNGSSLVMV-WBVHZDCISA-N	247.426	4.711	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@]12CCCC[C@@H]1CC2	2260523799	GVABDTGEJDVONE-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCCCN1C[C@@]12CCCC[C@@H]1CC2	2260626880	VNODJEKDSKBNPY-ZACQAIPSSA-N	249.442	4.611	0	10	BJAE	
C[C@H](C[C@H](N)[C@H](C)CC1CCC1)CC(C)(C)C	2298858599	PTCLBSDIXKJURU-NFAWXSAZSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@@H](C)CC1CCC1	2298925410	DOLRUAGZUBTLMT-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CN[C@H]1CCCCCCCCC1CC1	2299220697	IGCBJAVROLOCRI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCC[C@@H]1CC1(C)C	2300496984	QFQXVKLZAUCZSB-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H](C)C1CCCCC1	2300680490	FBTAXVPYSWUBDM-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H](C)C1CCCCC1	2300680491	FBTAXVPYSWUBDM-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC(=CCNCC1CCCC1)CCCC(C)C	2300866273	YQWMUZHRQWWFQV-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1CCCC(C)(C)CC1	2300874116	GZHPGZRJBWWOBO-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@H]1CC=C(C)CC	2300898418	DILURVXZTJYWAF-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@H]1CCCCCCCC[C@H]1NCC	2300902268	SEMIGSQVYPJVTO-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(N)cc1SCC1CCCCCC1	2301246548	HNUJUGNGYOPGQN-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](O)CC1CCCCCC1	2301963617	CWGSZHDOOXCYDI-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)[C@H](C)C(C)C	2302360575	CESDJAUUDKPONY-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCC[C@@H]2C[C@@H]21	2302824216	HHYPPIBRRJXWCD-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCC(=O)C12CC(CC(C)C)(C1)C2	2304362588	WPHKTMNWOYVBGR-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](CO)C1CCCCCC1	2307875648	IYTAOIMOTIIPNM-GOEBONIOSA-N	240.431	4.782	0	10	BJAE	
CCCN[C@H](C)[C@@H](C[C@@H](CC)CCC)C(C)C	2307904346	SFEVMZUTTTZQEJ-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1CC=CCC1	2315867810	KBLDGBVCDMFRQI-HNNXBMFYSA-N	243.394	4.887	0	10	BJAE	
CCC(C)=CC[C@H]1CCCc2ccccc2C1=O	2316524092	JGHVSVJAXWEYFY-OAHLLOKOSA-N	242.362	4.568	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCCC[C@@H]3C[C@@H]32)cc1	2319252126	KAFBDSUUQKZPSP-HYVNUMGLSA-N	243.394	4.630	0	10	BJAE	
NCC1(CC[C@@H]2CC[C@@H]2C2CC2)CCCCCC1	2319731392	TWBVWJJOIMWNSA-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@H]1CCC2(CC2)C1	2320221022	FBDBVVRGFNEHKO-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H](C)c2ccc(C)cc2)CC1	2320411697	FXKYFFOIGIOLNQ-RDJZCZTQSA-N	243.394	4.535	0	10	BJAE	
CCC1(CC)CC(N)(C23CC(CC(C)C)(C2)C3)C1	2321597138	GJFRRESLCQGHLV-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)CCCC2CC2)c1	2327699954	VTZBBLJVVVTSOE-QGZVFWFLSA-N	245.410	4.699	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H](CC)c1ccccc1	2328268411	HQFGKTYFYJPWDU-HOCLYGCPSA-N	246.394	4.966	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)c1ccc(C)c(C)c1	2328282022	LWSNMPFBBAAFSK-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
Cc1ccc2c(c1)sc1cccc(C)c12	6071423	VFQYQNKOTDCRKH-UHFFFAOYSA-N	212.317	4.671	0	10	BJAE	
CCCCCN[C@@H](CC(C)C)c1ccccc1	19233206	LDPJEGQFCNVGCJ-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CSc1ccc(NC2[C@@H](C)CCC[C@@H]2C)cc1	19994519	UVEBOJVWUQUGGT-RYUDHWBXSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cccc(Cl)c1Cl	20017954	JVJNWVZUQRNYCL-RKDXNWHRSA-N	246.181	4.840	0	10	BJAE	
CCCC1CCC(Nc2cccc(C)c2)CC1	21511821	JIUCCKOUYKBJDY-UHFFFAOYSA-N	231.383	4.766	0	10	BJAE	
CCCCC[C@@H](NC)c1ccc(C(C)C)cc1	36819928	AFLTULDJFIPCDW-MRXNPFEDSA-N	233.399	4.651	0	10	BJAE	
CC(=O)c1cccc(-c2cccc3ccccc23)c1	38069583	DGSJWGDXLKTAIO-UHFFFAOYSA-N	246.309	4.709	0	10	BJAE	
CCC(=O)c1cccc(-c2ccc(C)c(C)c2)c1	38071834	CWAIFFZOERFUFP-UHFFFAOYSA-N	238.330	4.563	0	10	BJAE	
CCCCCC[C@@](C)(CC)CNC(C)(C)C	71128200	UOGPKPKVXGVGKM-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CSc1ccccc1NCC1CCC(C)CC1	89575839	KUHIYJDFEVNBOP-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCS[C@H]2C)c1	94475765	OIEBITXAEODHDQ-SWLSCSKDSA-N	249.423	4.506	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cc2cc(C)ccc2o1	97384261	WXNTULCIDDFPJE-CQSZACIVSA-N	245.366	4.567	0	10	BJAE	
CCC[C@@H](C)CC1(N)CCC(C(C)(C)C)CC1	109702864	AJRBDVIQJCITBF-VQCLRJIVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)C[C@]1(N)CCCC[C@@H]1C(C)(C)C	109704137	MHORASMJNLOPPW-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@]1(N)CCCC[C@@H]1C(C)(C)C	109704397	RQOYBRKBJCRWSU-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCCCC[C@@H](N)c1cc2cccc(F)c2o1	130177472	FIYDSSLTYNQBCD-CYBMUJFWSA-N	249.329	4.542	0	10	BJAE	
CCCN[C@H](C=C(C)C)C(CCC)CCC	131063514	XYMVAVDAUMKQFG-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCCC)[C@@H](C)CC	132833993	BTCBECMCUKODQQ-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H]1CC(C)(C)CC[C@@H]1CNCCC	156288231	ALBZJFXHLXDHBT-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C(=O)c1ccc(C(C)(C)C)s1	165347458	WSFWXKMYKWVVDU-UHFFFAOYSA-N	238.396	4.665	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)c1ccc(C)cc1C	167284986	XQAXMKPQNRSMFQ-DYVFJYSZSA-N	247.426	4.780	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)[C@H]1CCC[C@@H](CC)C1	227029536	SVDALEJMJIDFDS-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)c1ccccc1C	229433684	LTSQBYJCCOIQPD-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
C1CCC(NC[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	250845998	NBQXCCPWPQUQDL-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H]1CNCCC	251367387	QBKCVRZTNUKRGK-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](CC1=CCCCC1)NC	253178686	RSEBZPBDJIDKQR-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@H]([C@@H]1CCC[C@H](C)C1)CN2	300262430	QLRSCXGXBMAGMV-PEYYIBSZSA-N	243.394	4.639	0	10	BJAE	
CCNC[C@](C)(CCC1CCCCC1)C(C)C	302236674	AHHXLICWJNVMCR-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC[C@](O)(CCC2CCCCC2)C1	305899169	ZGSMNHFAJRXMAP-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)(CCNC(C)(C)C)CCC1CCCC1	305900629	AOOVXCIEXROJLL-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@H]1CCCCC1(C)C	305920026	LRJGLUQPZXKDCF-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)[C@H](N)Cc1ccc(C(C)C)cc1	306022339	OEXKSVOKTTZNTF-WMLDXEAASA-N	247.426	4.506	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2C=CCCCCC2)s1	310065650	DQKCGSWBHHKDKD-KBPBESRZSA-N	249.423	4.596	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)C1(CC)CC1	310176343	MKMNWUFKVXWSAT-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C[C@H]([C@H](O)c1ccc(C2CCC2)cc1)C(C)(C)C	310639526	ARWTZTTYNXRBTN-WBMJQRKESA-N	246.394	4.670	0	10	BJAE	
CCCCC[C@]1(CNC2CC2)CCC[C@@H](C)C1	317805102	SMCNWMNOWXMRAH-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC(C)(C)C)CCC[C@@H]1C	318258276	NFGGOTUIOLVTKQ-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C[C@@H](C)CC(C)(C)C	320240002	WLSMQKOLIAPQGV-FRRDWIJNSA-N	226.404	4.700	0	10	BJAE	
CC[C@H](Nc1ccccc1C(C)(C)C)[C@H]1C[C@H]1C	322226879	YQQOEAMTQWRFOT-IPYPFGDCSA-N	245.410	4.831	0	10	BJAE	
C[C@H]1CC[C@H](C)c2sc(-c3ccccc3)nc21	379714569	INIVEJPCFVCIKQ-QWRGUYRKSA-N	243.375	4.811	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C(C)(C)C(C)(C)C)C[C@H]1C	383856060	MZBFOKNRFFXROY-UPJWGTAASA-N	238.415	4.700	0	10	BJAE	
CCCNCCC(C)(C)C[C@@H]1CCC[C@H](C)C1	383956720	XAFSDIPIUVWZKH-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H](C)C1CCCCC1	384180879	ZIJMFLANZUZLRF-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CCC2=CCCCC2)C1	385141615	INUCRMJYQGDWMD-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C(C)(C)CC	385859889	ZJEMJHZTPIZERK-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
Cc1cccc([C@H](N)CCC2=CCCCC2)c1C	385905975	PXLTZHUXFKMPAE-QGZVFWFLSA-N	243.394	4.584	0	10	BJAE	
C[C@H]1C[C@@H](CCC2CCCC2)Nc2ccccc21	393970001	ZNBFZSHXCFRCMJ-DZGCQCFKSA-N	243.394	4.945	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CCCC[C@H]2C)CC1	395190606	WLKHTDZDAFKHDJ-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)CNC1(C)CCCCC1	395232946	QMNAYYPPJGSCEN-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@](O)([C@H]1CCC[C@@H](CC)C1)C(C)(C)C	395424756	NKWPADSAUYHDHG-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](c1ccccc1CC)[C@@H](C)C(C)(C)C	399110715	LEAVJQNYKPZDQO-CZUORRHYSA-N	247.426	4.582	0	10	BJAE	
C[C@@H](CCC1=CCCC1)c1ccccc1	401094764	YPXZMQJTDNSTLE-ZDUSSCGKSA-N	200.325	4.681	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2CC=CCC2)cc1	402204828	DQAYQIXFPUEQFX-AWEZNQCLSA-N	230.351	4.545	0	10	BJAE	
Cc1cccc(-c2nc(C(C)(C)C)cs2)c1C	405189516	SCXNDZZAESFGGT-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
CC[C@H](NC1CCC2(CC1)CC2)c1cccs1	488412451	LMOVQESMWGIKLM-ZDUSSCGKSA-N	249.423	4.512	0	10	BJAE	
CCc1ccc(N[C@H]2CCCCC[C@@H]2C)cc1	691068932	CJKGXKNAMHCROC-BBRMVZONSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](C)CC2CCCCC2)C1	694718452	FKISOHWESQFAPW-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)c1ccccc1CC	696248941	LIOIBEYDMJUBSO-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCNC[C@@H](CCCC(C)C)C1CCCCC1	696853771	HUAPZDRNPMNASS-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](O)(C1CCCC1)C(C)(CC)CC	701049164	XWQGVANAAURERE-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@]1(C)C[C@@H]1C	704333563	FXNUOLKMRRWJQQ-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
C[C@@H]1CCCC[C@H]1n1ccc2ccc(F)cc21	704960014	SQXBIDAAPNAFNS-BXUZGUMPSA-N	231.314	4.532	0	10	BJAE	
CCCCCc1ccc(NC[C@@H]2CC23CC3)cc1	705224268	JSKLFEBKLMZLTG-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
CC(C)[C@H](Nc1cccc(C2CCC2)c1)C1CC1	705297670	XBAIOMLIHWMHKV-KRWDZBQOSA-N	243.394	4.801	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCCC[C@H]1C(C)C	707577755	RKLBMKXOIJWAJQ-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](c1cccc(C(C)(C)C)c1)C(C)C	709510329	REQFZTZVAPIUDJ-INIZCTEOSA-N	247.426	4.681	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H](C)C(C)(C)CC	710023337	GUQRBAISWVBNSH-MJBXVCDLSA-N	227.436	4.616	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC[C@@H]2C(C)C)cs1	710760179	QHZFXTWPUZENAQ-ZIAGYGMSSA-N	237.412	4.683	0	10	BJAE	
CC[C@H](CC(=O)CCCC1CCC1)C(C)(C)C	711125855	ZDUCSWWOBFPAJK-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H]2CC[C@H](C2)C1)C1CCCCC1	711165480	DECPWQSWAHCMJM-ABFRBSLYSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)CC(=O)C1CC(C)(C)CC(C)(C)C1	711185088	SZZLRTXZGDIJBY-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C[C@@H](CCCC1CC1)NC)C(C)(C)C	711189258	HPNSPEYCAHUHNB-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)C1(C)CCCCC1)C(C)(C)C	711210515	YNMORVLBFBPBMI-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
C=C/C=C/CC[C@H](N)C1CC(C)(C)CC(C)(C)C1	713750736	YOQYFABIMAWJRD-KIUWMYQTSA-N	249.442	4.689	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@]2(CN)CCC=CCCC2)C1	718978135	IJUKRHCNDZUVIU-ZACQAIPSSA-N	249.442	4.668	0	10	BJAE	
Cc1ccccc1CSC[C@@H](C)C(C)(C)C	1458772668	CHPLQEGLYQIFRK-CYBMUJFWSA-N	236.424	4.910	0	10	BJAE	
CCN(C[C@H](C)CC(C)(C)C)c1cccc(C)c1	1642061811	XTMFGMLAJDFHIB-OAHLLOKOSA-N	247.426	4.894	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)CCC=C(C)C	1659254882	UVMIJRDZKOPRDN-LSDHHAIUSA-N	225.420	4.680	0	10	BJAE	
CC=CCc1ccc(-c2cccs2)s1	1888061023	NHODZHPCPMDLFU-UHFFFAOYSA-N	220.362	4.595	0	10	BJAE	
CCC(CC)CC[C@@H](NC)c1csc(C)c1	1900696597	KPONPAOGSDLLIL-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
Clc1cncc(CCCC2=CCCCC2)c1	1901957530	XXBHZDNBVNJHNV-UHFFFAOYSA-N	235.758	4.558	0	10	BJAE	
CCCCN(CCCC)C[C@H](CC)CCC	1905299120	DAPDGKDDLCGROW-OAHLLOKOSA-N	227.436	4.715	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H](N)[C@@H](C)CC)CC1	1909704162	ZWRTXFZMEMBUQB-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)N[C@@H]1C[C@H]1C1CCCCC1	1910675122	SJHGORVUCPKJLD-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(N)CC3(CCCCC3)C2)C1	1912727836	NBFORQNDTKESLP-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CCC(C)(C)C)Nc1ccnc(C2CC2)c1	1913021293	SVEYOWWOCLRXTM-LBPRGKRZSA-N	246.398	4.586	0	10	BJAE	
CCCC=CCN[C@H](CC(C)C)c1ccccc1	1914681817	IUIZBVWSFDYTQF-QGZVFWFLSA-N	245.410	4.720	0	10	BJAE	
CCNC[C@]1(CCCC(C)(C)C)C=CCCC1	1916566660	WHHGGKGGJBYWPB-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1CCCC[C@H]1CC	1919969002	FXFXPGZEFBSJJV-OAGGEKHMSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@](C)(N)c1cc(C)c(C)cc1C	1920184517	FRARKTKYFTUGNG-KRWDZBQOSA-N	247.426	4.756	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CCCC12CCC2	1921608250	ZLQNKALSNGADAN-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H](C)C1CCCC1	1924099334	JSRFRZLYGJBQDZ-CYBMUJFWSA-N	244.378	4.648	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)CCC1CCCCC1	1924114529	ZZBUSNOKWFVQSN-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)CCCC1(C)CC1	1924118583	JDISYGJEDNCBGM-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@H](C)C1CCCC1	1924123138	AIPLHINVIHIRHY-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCC(C)(C)C1NC[C@@H]1C=CCCCC1	1925833332	JUMKQRBKIJPYOY-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H]1CC(C)(C)CC[C@H]1C[C@@H]1C=CCCCC1	1925892998	QTTHIXCXHCYLPV-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccc(Cl)cc1C	1939404502	FYLLCXOYJGAEMP-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
CCC[C@](O)(CCC[C@@H]1CC1(C)C)C(C)(C)C	1940878205	SPILIXHDZORXGB-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCC[C@@H]2CC2(C)C)C1	1940880157	GMWDNNDXQROXPI-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1cccc(C(C)C)c1	1941247504	FCNIAARXDUUDCI-HOTGVXAUSA-N	234.383	4.526	0	10	BJAE	
CCN[C@@H](C(C)(CC)CC)C1(C)CC(C)(C)C1	1941989544	XXIDPGJGMUUPBA-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H](CCCCCC(C)C)C1CC1	1942088176	KJSQDTONCWMXAN-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H]([C@H](C)CCC(C)C)C(C)(C)CC	1942662257	PRRZPDFHOIFBDU-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)C(C)(C)C1CCCC1	1944639198	CDDRZRGUUCHDEG-DZGCQCFKSA-N	239.447	4.602	0	10	BJAE	
CCCCCC(C)(C)CNC[C@H]1CCC[C@@H]1C	1944845342	HHESXJKFSVAEHY-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@H]1CCC(C)(C)C1	1945590919	HXOGSVMMQQVTHO-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CCC[C@@H]1C(C)C	1947464907	HLMBIYCIORDLMA-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)c1ccsc1	1947594720	ZMVNNEJJCHUJDK-DZGCQCFKSA-N	249.423	4.535	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)CC2(C)CCCC2)C1	1948979157	HFAXOGZEHGMRAQ-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CCC2=CCCCC2)CC1	1949042542	FFQUNAGOBHTHHK-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@H](N[C@H]1CCC12CCC2)c1cccs1	1949323524	BKDUIIRPRYMNPT-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
Cc1cc(SCC2CCC=CCC2)ccc1O	1949788734	QAQSRLUSKMLTAI-UHFFFAOYSA-N	248.391	4.539	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C2=CCCCC2)s1	1950546125	YALXPXPOQSGGJH-LBPRGKRZSA-N	249.423	4.766	0	10	BJAE	
CC=CCCc1cc(C)cc(C)c1OCCC	1951308637	KOJFBQUMCHKAMR-UHFFFAOYSA-N	232.367	4.601	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1cc(C)c(Cl)s1	1960263395	YYFDOFMWKHGQHO-WCBMZHEXSA-N	245.819	4.536	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CCC2(CCC2)C1	1968238446	WZFLYEODYJPPGJ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(OCC2C[C@H](C)C[C@@H](C)C2)cc1	1968345882	GHKPBAZQPQUGFU-ZIAGYGMSSA-N	246.394	4.700	0	10	BJAE	
CCc1cccc(OCC2C[C@H](C)C[C@@H](C)C2)c1	1968358839	PWLFFNFTOGHRRY-ZIAGYGMSSA-N	246.394	4.700	0	10	BJAE	
CCC[C@@H]1CCCCN1CCC1CCCCC1	1970605085	IEXZWFZHSRIRNU-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2ccsc2)CC1	1976340082	AJJFCANXIALMSF-NWDGAFQWSA-N	236.380	4.537	0	10	BJAE	
CC(C)C[C@H](C)C1(N)CCCCCCCC1	1980337017	PUFKMNVSPKAJPG-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H]1CCCCCCC[C@@H]1NCC	1980342428	SOZRFGIVGIYFND-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H](C)C1(C)CCC1	1981369163	HMYUHQXNELZSHG-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@@]1(CO)CCCCC1(C)C	1981852843	HXQYLVJOYBXKGN-HNNXBMFYSA-N	226.404	4.536	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1(C)CCC(C)CC1	1983315094	WWACCRKEKLNPKV-JVWICGRDSA-N	224.388	4.598	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@@H](C)C(C)(C)C	1986938965	QKLYGNVITVKRMA-UKRRQHHQSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](C)c1csc(C2(CC(C)C)CC2)n1	1988522673	ANQKMIXQFXJABR-NSHDSACASA-N	237.412	4.734	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccccc1Cl	1988793656	BDDPRKVMWAOCSN-LBPRGKRZSA-N	237.774	4.887	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)CCC=C(C)C	1988793952	DJSCVVZXMHJRMC-HNNXBMFYSA-N	226.404	4.700	0	10	BJAE	
CC1([C@](C)(O)CCC2CCCC2)CCCCC1	1995992510	YXTWNQDJQWZGTO-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2CC[C@H](C)C2)C1	1996235289	AOUCVRHLFFKCFR-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@@H]1CC[C@H](C)C1	1996270936	PRUBMIFHPAZYQW-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(C[C@@H](C)C(C)(C)C)C1CCCCC1	1996589394	NPEHYMOJKAAAMN-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)C(=O)c1cccc(C(F)F)c1	1996611252	QKMPIALZEQNXED-UHFFFAOYSA-N	240.293	4.633	0	10	BJAE	
CCC(CC)[C@H](NC)[C@@H]1CCC[C@@H](CC)CC1	1997113519	BKGFJBKDTKBLEV-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)[C@H]1CCCC(C)(C)C1	2000179224	OHANZHRSAVSMQB-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CC)[C@@H](CCC(C)=C(C)C)NC	2000320690	NVAITOAELQQWEB-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@@H](C1CC(C)C1)C(CC)(CC)CC	2000386981	GJYLQFUKEMHYEH-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C1CC(C(C)(C)C)C1	2002328301	NICDEUYDCWGIAZ-ZUEPYMLJSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](O)C[C@@]1(C)CCCCC1(F)F	2002595011	WDWVZEAVLCILQH-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCCc1ccccc1-c1cc(C)cc(Cl)n1	2003077305	MPZNEFISYODNRM-UHFFFAOYSA-N	245.753	4.663	0	10	BJAE	
CC(C)C(C)(C)CN(C)C1CCCCCCC1	2003167070	BCFMUVACHVCRCB-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CN(CC1CCCC1)C1CCCCCCCC1	2003168218	RZUPYWQLRGLDQQ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC1(C[C@H](CC2(C)CCCC2)NC)CCC1	2003179482	OUZGKKUZAHZVGX-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1CCCC2(CC2)C1	2003283321	XDEJSOIKQMNHJO-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
CC(C)CCCCCC(=O)[C@]1(C)C=CCCC1	2003333446	CXKIWAGSMHESIR-MRXNPFEDSA-N	236.399	4.908	0	10	BJAE	
CCC1(CC)CCC(O)([C@H]2CC[C@H](C)C2)CC1	2004353054	NXEDUUNDEBOCMS-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)CNC(C)(C)C(F)(F)CC	2004717622	MRYUOLYXNSURFK-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
CN[C@@H]([C@@H](C)C(C)C)C1(C)CCCCCCC1	2004922168	FCDZNXWRCPBRQH-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@](C)(CCC)CNC(C)(C)C	2009620309	UGHNKAGNCWQKFK-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCCCCC1CC(NC2CC(CCC)C2)C1	2009792367	YHGZJRKVDXJWCX-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCC[C@H](O)C[C@@]12CCC[C@H]1C2	2010981332	HBQNUZPDQAZVFP-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)CN(C)C[C@H](C)CC(C)(C)C	2011177593	IHDRKADIIRMRNJ-CQSZACIVSA-N	241.463	4.817	0	10	BJAE	
CC[C@](CNC(C)C)(CC1(C)CCC1)C(C)C	2012416789	NNUZNAXOXANKAG-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@](CC)(CNC)C(C)C	2012420654	DENWDYHWFCIVGH-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CC(C)C(=O)C1CCC2(CCCCCC2)CC1	2013202268	KQUOUTJVLVJLGQ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](O)(C[C@@H](C)C(C)C)C1	2015283588	GBOCDTVILNXUJK-OWCLPIDISA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC1(CC)CCC1	2015600143	YDXNAXJANNIOAX-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C)CCC=C(C)C	2016150297	SDXMHTTWFJGZHD-CVEARBPZSA-N	239.447	4.926	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C(C)(C)CCF	2016759898	PIEFAPNKWRYQMQ-ZDUSSCGKSA-N	245.426	4.567	0	10	BJAE	
CCC[C@H](CCC1(C(C)(C)C)CCC1)NCC	2017146693	VSTFSXNRGHPBGX-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CCC(C)(C)C1	2017485082	CBZFURZDFPVSFO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)C2CCCCC2)CC1	2017654490	FCFDZSQBZQUWHA-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2ccc(C)cc2)CC1	2017730661	JNXWUCIVVYFHSP-SHTZXODSSA-N	231.383	4.623	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)C(C)(C)CC	2017745332	ABAZNGNWNDKOOX-ZDUSSCGKSA-N	233.399	4.794	0	10	BJAE	
Cc1cc(C(=O)C2CC3(CCCC3)C2)sc1C	2017986923	YTOGVQWLTPPRNX-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCC1CCC([C@](C)(N)CC2(CC)CC2)CC1	2018910524	MUGUUQNVHXMKMR-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCCN(CC(C)C)C1CCCCC1	2020538237	ZHXFTDIDCSVAFD-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@](C)(O)CC1CCCCC1	2022453716	IMGHRRXHKVIPEN-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)CN(C)CC(F)=C1CCC1	2023330932	HYPHLTGIRZNLER-UHFFFAOYSA-N	241.394	4.542	0	10	BJAE	
CCCC[C@@H](C=C(C)[C@H]1CC[C@H](N)CC1)CC	2023547151	CKLYDNXHRFHVEP-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@@H]2CCCC(C)(C)C2)C1	2024100376	BZLAGOSOWZWZFA-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CC(C)(C)C1(C)C	2025012180	VJMQFJAPGIWAPF-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@H](C)C(C)(C)C	2026165338	AMENDODPZPGIOE-SOUVJXGZSA-N	241.463	4.993	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CCC=C(C)C)NC	2026165772	FASZHGVIGRBMTR-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)c1ccc(C)c(C)c1	2027736974	PTDZQFXSMBQSHS-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)c1cc(C)ccc1C	2027822121	OUOWFCNGOKTHLO-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)[C@@H](CC)C(C)C)cc1	2028251573	HTQAPUYSWBTYFR-RRQGHBQHSA-N	247.426	4.882	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NC1CC2(CCCCC2)C1	2028876531	BSQIWVOMMPJIMU-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1C[C@H](NCC2CCC=CCC2)CC(C)(C)C1	2028898793	CLLMDFYAYHHHKK-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@H](O)c1cccc2c1CCCC2	2029686598	MGEHVBFPITWOCH-QGZVFWFLSA-N	246.394	4.569	0	10	BJAE	
CC(CCC(C)C)=C1CCC[C@H]1[C@@H]1CCCCN1	2029825599	NVHXAGIFUKPDTE-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2CCC[C@H]2C)CC=CCC1	2032500610	GDPBLXBBDFYIDV-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CNC1(C2CCCC2)CCC1	2033055898	VZTXMLUVIHKFNM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](NC2(C3CCCCC3)CCC2)C1	2033057872	ZATWSTBRMRKNGD-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)C[C@H]2C=CCC2)CC1	2035559078	FSZJHPYXUPTNCQ-NFOMZHRRSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)CC2CC3(CC3)C2)C1(C)C	2036751073	VDQCWRGNPGVNCD-WBMJQRKESA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1ccc(CC(C)C)cc1	2037093437	FBONPERYMLQWJB-PBHICJAKSA-N	247.426	4.711	0	10	BJAE	
CN[C@@H]1CCCC[C@H]([C@H]2CCC3(CCCC3)C2)C1	2037698421	NNZHLTKHBFEKRC-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)C1=CCCCCCC1	2039433162	AEMNEZJVIQWIJZ-USXIJHARSA-N	247.426	4.587	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cccc(CC(C)C)c1	2040724464	VYMMEFNDRRFMKC-MRXNPFEDSA-N	248.410	4.745	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C1(C)CC=CC1	2042015727	CQLKFGYOGSCNSV-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCC=CCCC2)C(=O)C1	2045308482	AQHWKOIDMNASRE-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CC1(C)C(C(=O)C[C@H]2CCC=CCCC2)C1(C)C	2045312381	YZWNRFQXGSZKHX-ZDUSSCGKSA-N	248.410	4.764	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)[C@H]2CCCC(C)(C)C2)c1	2045507583	TZNQLROLVOYPCL-HOCLYGCPSA-N	245.410	4.520	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2C(C)=CCC[C@H]2C)CC1	2045681969	GNZXAQCECBJPDP-PRLABOORSA-N	248.410	4.764	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@H]1CC(C)=C[C@H](C)C1	2045762929	DSOOMCIFWZVDKD-IAOVAPTHSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1CC12CCCC2	2047056985	XLEJNPHDPFWVDN-CQSZACIVSA-N	244.378	4.769	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2CC23CCCC3)C1	2047061700	HVTYAMKSWWSBCN-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC(C)CCCCC=C1CC[C@H]2CCCN[C@@H]2C1	2048081369	LANLCOAKNWJVMT-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C[C@H](NC1[C@@H]2CCCCC[C@@H]12)C1(C)CCCCC1	2048385542	LGKKETVHWKNNAJ-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C(=O)CC2[C@@H]3CCCCC[C@@H]23)CCC1	2048469865	FKLOBMMVCLZBLJ-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@H]2CCCC3(CC3)C2)[C@@H](C)C1	2049947060	CNAAIQDDUOCJAH-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1[C@@H](O)CC1=CCCCCCC1	2050439476	BIISSGCUMWUFIO-KRWDZBQOSA-N	244.378	4.699	0	10	BJAE	
CCC1(C)CCC(N)([C@H]2[C@H]3CCCCC[C@H]32)CC1	2051602689	RLQMUXFRLMFAPS-FWTFNCGHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@]1(C)CCc2[nH]c3c(C)cc(F)cc3c2C1	2051617402	OOFQVCSIMIARLW-INIZCTEOSA-N	245.341	4.520	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@@H]1C)[C@@]1(C)C=CCCC1	2055281304	YDBOUQOECYQTCU-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CCCC3(CCC3)C2)CCC1	2055541894	UBRDJUWDPXNSCB-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1CCCC[C@H]1C(C)(C)C	2055671007	CROHLFSDYRQJLC-OWCLPIDISA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C1=CC[C@H](C)CC1	2060922014	OXAKGCFXKSNENQ-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC[C@@]12CCC[C@@H]1C2)CC1CCC1	2061575117	OUPWLIWMSGHXNT-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC[C@]12CCC[C@H]1C2)CNC1CC1	2061623090	PJISUHFFXSJBGA-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCCC(C)C)C1CC(=C2CC2)C1	2061638620	BHPQLSSTJPOEAQ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CC(=C2CCC2)C1)C[C@@H](C)CC	2061721524	XQWWDUANLTWPTC-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCCC12CC2)C1CCCCC1	2062017427	OOHBXLFZXWBXHF-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
C[C@H](NCC1CCCCCCC1)C1CC2(CC2)C1	2064596744	QVGQGTCWPDXASR-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@](CN)(CC12CCC(CC1)CC2)C1CCCC1	2065334096	ZXCWCZBDHKHWFN-ARWYELJZSA-N	249.442	4.502	0	10	BJAE	
C[C@H](C[C@@](C)(O)C1(C)CCCC1)c1ccccc1	2067508709	AMYXZNKHXAHNJN-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@H]1CCC1(C)C	2068230763	SEHQYNIIKUVWPO-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](O)c1ccccc1C1CCC1	2068815487	AGJRKXQCXHKJSX-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CC(C)C(CC[C@H]1NCc2ccccc21)C(C)C	2068959636	IMJBZFRZXZDXPJ-QGZVFWFLSA-N	245.410	4.539	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CC[C@H]2C2CCC2)CC1	2071784415	AEQVQOHJSOKEQT-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CC1(C(C)C)CCC1	2071949139	LFYCXMBYYSPFHV-HNNXBMFYSA-N	245.410	4.520	0	10	BJAE	
CC(C)=C(C)CN(C)C1CC(C2CCCCC2)C1	2072408533	GQAQGJXGAMVVIJ-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CCNC3(CCCC3)C2)C1	2074145549	QYPKXDREVIJYER-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)CC1(C)CC(C)(C)C1	2074795762	ZSGNEGLVVIMOGM-AWEZNQCLSA-N	245.410	4.506	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)[C@H]1C=CCCCCC1	2074808750	GNJNOCUFNVGXQD-IRXDYDNUSA-N	249.442	4.776	0	10	BJAE	
C[C@@H](CN(C)[C@H](C)CC(C)(C)C)c1ccccc1	2075135939	IDAHUNICTYBSLE-LSDHHAIUSA-N	247.426	4.547	0	10	BJAE	
CC=C(CC)[C@@H](CC1CC2(CCC2)C1)NCCC	2077186523	CCPYLQUSTYZESX-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@H](Nc2ccccc2C2CC2)C1	2077264331	PKVSCOLMLLBOFD-PBFPGSCMSA-N	243.394	4.801	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)C1CC2(CCCCC2)C1	2079632745	JMAGACFMDZJAFB-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@H](C)Nc1cccc(F)c1	2081213422	AAUCDDUJECJPNG-LBPRGKRZSA-N	243.325	4.561	0	10	BJAE	
CC(C)=CC[C@@H](O)c1ccc(C2CCCC2)cc1	2081784018	AROCZXFNTZFMCL-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CC(=C1CCC(C(C)(C)C)CC1)[C@H]1CC[C@H](N)C1	2082174183	TVTHYIHBNWSHTI-AQOJYXMDSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)CC2CCCCC2)c1	2082930893	WOSCFCHCRQHBMM-QGZVFWFLSA-N	245.410	4.582	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)C[C@H](C)C(C)(C)C)c1	2082945153	SLXDEIFLLJYTKX-BBRMVZONSA-N	248.410	4.718	0	10	BJAE	
CC(C)CCC[C@H](N)CC1C2(CCC2)C12CCC2	2083576732	OYUNPNDXSVGOTC-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
C1CCC(C[C@H]2CCCNC23CCCCC3)CC1	2083811885	GISXAYAUYNRBLM-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCc1ccc(N)cc1-c1cccc2ccccc12	2128689300	XSLDIVGKQCCHBI-UHFFFAOYSA-N	247.341	4.651	0	10	BJAE	
Clc1cccc(C/C=C/c2ccccc2)c1	2210662192	KRYCESAASYIQEM-XBXARRHUSA-N	228.722	4.596	0	10	BJAE	
F[C@@H]1CCCC[C@H]1C/C=C/c1ccccc1	2210666674	HLHBNKHEWQIERQ-OVPGCVMQSA-N	218.315	4.618	0	10	BJAE	
CCC[C@@H](C)[C@@H](CC1(C)CC(C)(C)C1)NCC	2215401110	MOPFLCLRVZAZOA-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@]1(N)CCC[C@@H](C(C)(C)C)C1	2216250330	APPJYZDOMZFMER-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC(C)C)C(C)(C)CCC	2216286533	WAEJMRJHTXJSIA-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(CC)(CC)CNC1CCC1	2217123817	BQZLDWFSJHYWPY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CC)CCCCC12CCC2	2217131631	YHGQGAXPZFNYEI-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218331543	FLELFFMYDRFALT-YQFWSFKMSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C1CCC2(CC1)CC2	2220043835	FQOADEPNNRKVON-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@@H]1CCCCN1)CC1(C)CC2(CCC2)C1	2221039003	HMLFNRRMGHWCQZ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(NC[C@H](C)C2CCCCC2)CC1	2221600824	KWWCOMOTUNNTPW-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@]1(C)CC=C(C)CC1	2221615117	KHCBYMVNHOVDGR-IRXDYDNUSA-N	247.426	4.612	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)[C@@H]2CC[C@H](C)[C@H](C)C2)CC1	2221628823	DIRXFMKYUBKBRA-UTSKFRMZSA-N	249.442	4.523	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCC(C)(C)C2CC2)CC1	2221640281	KVSQYFLIXYDZBX-KRWDZBQOSA-N	248.410	4.908	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@@H](C(C)(C)C)C2)CC=CC1	2222262508	DZJPTIBNADZURG-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
C[C@@]1(CC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCN1	2222970060	HSCIONXOMVIIOQ-NXOAAHMSSA-N	249.442	4.515	0	10	BJAE	
CC=C(C)[C@@H](NCC)c1ccc(C2CCC2)cc1	2223705026	RELBUOYTRTVOGL-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCCC1(CC(=O)[C@H](C)c2ccc(C)cc2)CC1	2223966972	FXVXBTOAIAUBNM-CQSZACIVSA-N	244.378	4.638	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCCCC23CC3)cs1	2246618986	ZUBWPDYWLTXHLW-ZDUSSCGKSA-N	248.391	4.600	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@]1(C)CC1(C)C	2248813294	DJSAQEDLIATGRQ-IOASZLSFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C(=O)CC[C@H]1CCCC1(F)F	2250372076	OCOPRPZPMANSKX-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCC(F)(F)[C@H](N)CC[C@@H](C)CCCC(C)C	2250480457	GBXHAWVPLCTBRK-QWHCGFSZSA-N	249.389	4.602	0	10	BJAE	
CC(C)=C(C)CCc1cccc(OC(F)F)c1	2253118820	KGHQUZRDSCIGNO-UHFFFAOYSA-N	240.293	4.577	0	10	BJAE	
C[C@H]1CCC[C@H](CCNC2(C)CC3(CCC3)C2)C1	2253952060	QCWMGMPYCVBOCS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1=CCCCC1)NCCCC[C@@H]1C[C@H]1C	2254546430	XCAWHTMHWWCGJL-BFYDXBDKSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1(N)C2CCCC1CCC2	2254575063	CUQXTRQSSFREAY-PENGNTFPSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@@H]2C[C@H]2C)c(C)c1	2254612474	WJENDSNHXQEWPM-UKRRQHHQSA-N	244.378	4.703	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@H]1CCC12CCC2	2254843644	IIICRKJHIVNLCN-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)[C@]1(C)CC=CCC1	2257279764	DCFYSNSYQKNNJH-YYIAUSFCSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(NCC2(C(C)C)CCC2)cc(C)c1C	2258236740	LLTDYPBSRIRSPM-UHFFFAOYSA-N	245.410	4.850	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@]23CCC[C@@H]2CC3)CC1	2260485251	DBBNPKKBILNRFK-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@@]12CCC[C@H]1CC2	2260485653	GRPSTSXXYHFICO-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)[C@]23CCCC[C@@H]2CC3)CC1	2260504192	DJMCCHVXLRYKID-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@]12CCC[C@H]1CC2	2260525489	VQPRPZVXYBFFNZ-SUMWQHHRSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC[C@@]12CCCC[C@H]1CC2	2260635834	XYJANWLSJAJUDD-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](NC[C@@H]2C=CCCC2)C1	2261394840	JDHYEAQFQOJQOV-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)([C@H](C)CC2CCC2)CC1	2298877245	BDFNEUDWMZEWIO-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCN1CCC(C(C)(C)C)CC1	2300673656	KWGQLBGWPSBYDD-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CCC[C@H](CC)C1	2300678527	LGAOFFMMMFZCRZ-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H]1CC[C@]1(O)CC1CCCCCC1	2301136348	WFTWCUGKESCNDI-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCCCN(CC1CCCCCC1)C1CCC1	2301143987	ZDZMKUZNZMFAQW-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H](C)[C@@H](C)C(C)C	2301831051	BBXPTERAIFZITK-KBPBESRZSA-N	229.367	4.803	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C[C@H](N)CC1CCCCC1	2301836320	LVHXQJSMKPUUJI-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)[C@H](C)[C@H](C)C(C)C	2301843705	LIBPJIPQOFAIKS-GBJTYRQASA-N	241.463	4.575	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(N)C[C@@H](C)C1CCCCC1	2301945560	NLLBTPSSJPBSJS-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)CCCC1=CCCCC1	2302347649	TTWYRMVEEVSPDB-GJZGRUSLSA-N	237.431	4.633	0	10	BJAE	
CCC[C@@H](C(=O)C[C@@H]1CCC(C)(C)C1)C(C)C	2302880244	KJYYTRRCVZKFQC-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCc1cscc1NCC1(C)CC2(CCC2)C1	2302885208	NTHZBRGMTBHACC-UHFFFAOYSA-N	249.423	4.693	0	10	BJAE	
CCc1cscc1NCC1C[C@@H]2CCC[C@H]2C1	2302893104	RXURORBDSOCCGS-KBPBESRZSA-N	249.423	4.549	0	10	BJAE	
CCCCCC[C@H](N)CC[C@H]1CC[C@H]1C1CC1	2303130337	XBBNDWHXJVHECT-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@H]1CC[C@H]1C(C)(C)C	2303461276	IHVWHBLLYYCLCY-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@H](CC[C@H](C)CNC(C)C)CC1	2303574642	BBZDOUAFYPUGEF-XJKSGUPXSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H]1CCC(C)=C(C)C1	2303574869	DKULLVIJOVKOHW-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
CN[C@@H](C[C@H]1CCC(C)=C(C)C1)c1cccs1	2303594854	MIIKWBZPTVZDDY-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
CC[C@@](O)(CC[C@H]1CCC(C)(C)C1)C1CCC1	2304400427	WGOSBUSYGRZVGR-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CCC[C@@H](C)CC1	2307817414	OYLMMJQBGGAKOP-UGUYLWEFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1CCC(C)(C)CC1	2307842275	IJULLAOCBHHXRD-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)C[C@@]12CCC[C@@H]1C2	2311200350	QFUGMAMDCOWOLS-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312952590	KNKOWSYOKDEQEN-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC(CC1CC1)CC1CC1)C1CCCCC1	2313595012	VSCYXWXUMNXQDB-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CCc1cc([C@@H](O)C2(CC)CCCC2)ccc1C	2314703687	ZGLVMXFALAMZRL-MRXNPFEDSA-N	246.394	4.561	0	10	BJAE	
Cc1cc(C)c2[nH]c(CC3CC3)c(C3CC3)c2c1	2315507366	APIIMYJTDMEZPV-UHFFFAOYSA-N	239.362	4.615	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1cc(C(C)C)ccc1C	2315874985	RDLUFIPVFSSPNV-HZPDHXFCSA-N	245.410	4.967	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC2CC2)CCCC[C@H]1C	2316488885	CVVKHBACKVQNGI-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1C[C@H]1C1CCC1	2316510496	MROZBACVDSJMAD-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@H](O)c1ccc(C(C)(C)C)cc1	2316532935	UIKBEMDIWFCYBK-INIZCTEOSA-N	246.394	4.764	0	10	BJAE	
CN[C@@H](CC=C(C)CCCC(C)C)[C@@H]1CC12CC2	2316551396	JRIJIISZUGSOTO-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCNC[C@@H]1C[C@H]2CCC[C@H]1CC2	2316859060	RHYKSXONDBGESC-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1(C2CC2)CCCC1	2316886207	PYYYMWZSBNDVFP-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
C[C@](N)(CCCC1=CCCCC1)[C@H]1CC12CCC2	2318543347	YYGURYAGLVNJIG-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)CN(CCCC1=CCCCC1)C1CC1	2318583107	LKILHPVVLLLGPU-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2CC(C3CCC3)C2)C1	2319294600	AMFZYXYRSZDILJ-LRVUVFPRSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC[C@@H]1CC[C@@H]1C1CC1	2319632277	JDPUHIHMUZGLHD-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CNc1ccc(CF)cc1	2320308268	VCYVFMKSVRQGRK-UKRRQHHQSA-N	249.373	4.640	0	10	BJAE	
CC1=C(C)C[C@H](COc2cc(C)cc(C)c2)CC1	2320348182	OCKYYUDDXZNUBR-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
CC1=C(C)C[C@H](NC[C@@H]2CC[C@@H]2C(C)(C)C)CC1	2320372970	MHFMUPDLMDXMAC-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC[C@@H]1C[C@H]1C)C[C@H]1CCC(C)=C(C)C1	2320395474	FAKRSHVIUSNJAU-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2[C@@H](C)CCC[C@H]2C)c1	2321093027	HAEVNCFXPBSPMH-ATCWAGBWSA-N	249.373	4.625	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H]2CNC23CCCCC3)C1	2321632041	QYZWTQDHJICXFO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)CC12CC(C(=O)CC3(C)CCCC3)(C1)C2	2321647770	DWECMQLNTFSRAY-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H]2CC[C@@H](C)C(=O)C2)c1	2327780135	AMUGTKJDQAGXCH-KGLIPLIRSA-N	244.378	4.591	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1c1cc(C)ccc1C(C)C	2327781375	JEZGUVBUKNVTKT-DZGCQCFKSA-N	244.378	4.591	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc2c1CCCC2	21008871	BQEWXELNFLSRNH-CQSZACIVSA-N	245.410	4.946	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc(F)cc1F	21519331	QAMVCNDJLAEURR-PWSUYJOCSA-N	241.325	4.592	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H](c1ccccc1)C1CC1	37075166	ZOCKNAGPHHMUFK-YOEHRIQHSA-N	245.410	4.552	0	10	BJAE	
CCC(C)(C)C1CCC(O)(C2CCCC2)CC1	37375603	UWVQNMPQBSAEIE-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c(OCCCC(C)(C)C)c1	60254898	PWMXQGFLMHXPPO-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
C[C@H]1CC[C@@H](C(C)(C)CC2CCCC2)C(=O)C1	69405107	QDDZXOSDMNSIBK-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCCC)C(C)C	71085260	UVTWTNNRNGKWHO-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCC[C@@H](CC)C1	71105889	IZPPQSVYRVAMIV-UKRRQHHQSA-N	231.383	4.630	0	10	BJAE	
Cc1cc(C)c([C@H](C)c2ccccc2)c(C)c1	75841790	NVOWILAMPVSBDF-OAHLLOKOSA-N	224.347	4.764	0	10	BJAE	
CCCCCN[C@H]1CCC[C@@H](CCC)CC1	83437211	NQQDDIOEEUREAW-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CC(C)c1ccccc1OC1CCCCC1	85151551	HDKNXRHCVHGSOZ-UHFFFAOYSA-N	218.340	4.522	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(c2ccccc2C)CC1	86939539	JORVFGPXWGISFZ-RDJZCZTQSA-N	245.410	4.529	0	10	BJAE	
CCc1c(C)nc2c(C(C)C)cccc2c1Cl	103943016	OCNVBJAUXXWCPC-UHFFFAOYSA-N	247.769	4.882	0	10	BJAE	
CC(C)(C)CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O	103989510	SAFVWWCWUNTJPO-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O	109655066	QJBYYSGPYXYPRY-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](C)[C@H](O)c1c(C)c(C)c(C)c(C)c1C	109784445	LQBCIYSIHFWOCF-QGHHPUGFSA-N	248.410	4.698	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)C2CCCCC2)cc1	109901817	GKSUPJKUOBQNAY-HUUCEWRRSA-N	245.410	4.614	0	10	BJAE	
Cc1cc(C)c([C@H](O)C2CCCCCC2)c(C)c1	112909166	VHJINVXCBFZYAA-QGZVFWFLSA-N	246.394	4.616	0	10	BJAE	
CCC(CC)C[C@H](O)c1cc(C)cc(Cl)c1	124242100	ORSFLOPQXOVXGY-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1ccccc1CC	125097064	OASOXTXWNRIXQK-PBHICJAKSA-N	247.426	4.855	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)c1ccc(C)s1	126133584	KEDMZEVRZQFUHX-WCQYABFASA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](C)Cn1ccc2cc(Cl)ccc21	129682702	GRIQHLLCOYYALF-NSHDSACASA-N	235.758	4.731	0	10	BJAE	
CCCCCC(CCCCC)NOCC(C)C	133684167	KGTUQRPHKIOVAT-UHFFFAOYSA-N	243.435	4.693	0	10	BJAE	
CC1(C)CCC[C@]2(C)C1=CC[C@]1(C)OCCC[C@@H]12	142956378	IPUAJEKTYUPFEU-OIISXLGYSA-N	248.410	4.718	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@H](C)CCN	144174709	ALJKZCYRWUOLTM-LSDHHAIUSA-N	227.436	4.604	0	10	BJAE	
CN[C@H](CCCC1CCCCC1)c1ccccc1	203535085	ACBDNHGMJQDGOK-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
Cc1cc2ccccc2n1C/C=C\c1ccccc1	211349275	FUFUJXSICYGNIW-YFHOEESVSA-N	247.341	4.663	0	10	BJAE	
Clc1ccc(N[C@@H]2C=CCCCCC2)cc1	218835965	BXTJCMNUYRHXBB-CYBMUJFWSA-N	235.758	4.641	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CCCCC2(C)C)ccc1F	226532835	PBOUWDLWUAEOTJ-ZDUSSCGKSA-N	248.341	4.533	0	10	BJAE	
CC[C@@H](C)c1ccc2oc(C(=O)C3CC3)cc2c1	232359316	WXDZTGDGTRJYKX-SNVBAGLBSA-N	242.318	4.539	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](O)(CCC2CC2)CC1	232509314	FHDLQCYXOBVQII-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC1(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1	233015365	QDZKPIXDYISNFE-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](c1ccc(C)o1)C1(C)CCCCC1	233141580	LXFZGPDWBAWDLK-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C2=CCCCC2)CC1	233306146	NKIYKSJXFZRJMC-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](C)Nc2ccccc21	233334552	ZKJNZTGWZQUQNR-BFHYXJOUSA-N	231.383	4.801	0	10	BJAE	
CC(C)C/C=C(/Nc1ccccc1)C(C)C	238211426	LLTNTETURPEQEK-RVDMUPIBSA-N	217.356	4.685	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCC[C@H]1CC	251417365	YCVSPGQWOCZAQZ-ARFHVFGLSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@H](C)CC(C)(C)C)C1	253046160	PPZRBPWXRTTXJI-QPSCCSFWSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H](C)CC)NCCC	300893936	IAIKCQOHHPVATF-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCNC(CCC(C)(C)C)CCC(C)(C)C	300936882	VSXFGWXEJAOZIA-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCC1([C@@H](N)CCC2CCCCC2)CCCC1	302276323	STRUVZMEHLJNIG-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCNCC/C=C(/C)CCC1CCCCC1	302285361	VVTDCFKSHWNFNB-NVNXTCNLSA-N	237.431	4.683	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCC2CCCCC2)C1	305897956	SJFYUCLLNSPGME-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)C)c1ccccc1C	305956495	NWIKAUGEOIQKQP-WMLDXEAASA-N	247.426	4.718	0	10	BJAE	
N[C@H](CCC1CCCC1)C(C1CCC1)C1CCC1	306101508	PQCWXLCXQPCPAO-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CCc1c(Cl)c(Cl)cc2ccsc12	306587023	RVOQUSAFJPEUIO-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](O)C2(C)CCCCC2)C1	310473573	CBGDDNQGTRDWET-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC12CCCCC2)C1CCCC1	313001895	BXDBXUFDAJBGKB-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC(C)C)CCCC[C@H]1C	318045042	JNHMEEUQTASXNA-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C(C)(C)C1CCC1	322527016	VIFLVHZMBHGSIW-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@](O)(CCCC(C)(C)C)C1CCC1	322685860	KVCGBNKLVSMJTC-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)c1cc(C)cs1	379065519	RDQMIWFIMDWQRP-YPMHNXCESA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1cc(C)cs1	379140044	SAVASEXRRXMBAO-STQMWFEESA-N	240.412	4.696	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC(C)C)C1CCCC1	382681914	UFYBZBHHJJKVRA-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC1(CN)CCCCCC1	383313503	WJQDDUCAAQCNEG-UHFFFAOYSA-N	239.447	4.892	0	10	BJAE	
CCCC1(C(=O)C[C@H](C)C2CCCCC2)CC1	383879506	RGOZAIBZQLQIKY-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC1(CN[C@@H]2CCCCC2(C)C)CCC1	391821540	OTMDZOUSQCUOSO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C)[C@H](C)CCCCCC(C)C	394773087	VHFKVMUKULMYCA-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@H]1CC[C@@H]1CCCCCC(C)C	394811400	KQHNVVYMSUFAOJ-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CNc1ccccc1Cl	394859568	OJSLOHRPJGRULN-VXGBXAGGSA-N	237.774	4.578	0	10	BJAE	
CC1(C)CCC[C@@H]1NCCCC1CCCCC1	395143383	AJZHKJNTVOSUBV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(N[C@H](C)CC(C)(C)C)cc1C	395157950	YTPRWLHXTNNROS-CYBMUJFWSA-N	233.399	4.794	0	10	BJAE	
C[C@@H](C[C@]1(O)CCCC(C)(C)C1)c1ccccc1	395316815	ZGEOPVDNLFVPCU-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
C[C@@H](C[C@@H](O)CCC1CCCCC1)C1CCC1	398516875	KOKFZYLGIFGDHG-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C[C@H](Nc1cc(Cl)ccc1Cl)C(C)(C)C	687711542	ONXFXCBGNAKXEN-QMMMGPOBSA-N	246.181	4.840	0	10	BJAE	
C[C@@H]1CC[C@@](CCCC2CCC2)(CNC2CC2)C1	688846440	ROGKPCVQWPKOMX-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](Nc1cccc(C2CC2)c1)C1CCCCC1	690073595	CPBUBWLQUNGWSR-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cccc(C3CC3)c2)C1	690078098	VAPSCUYYBHPDKK-CJNGLKHVSA-N	243.394	4.945	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1cccc(C)c1F	691139752	PRAKPRQACHIHTN-KBPBESRZSA-N	249.373	4.905	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CCCC(C)C	691172816	YFLKWRSCPXRAKX-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@@]12CCCC[C@@H]1C2	693184740	RQOWHUJHGGVLBC-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NC1C[C@H]2CC[C@H](C1)C2)C1CCCCC1	697681092	DECPWQSWAHCMJM-ZQIUZPCESA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCCC(=O)c1cccc(Cl)c1C	697826680	LOSPPJFRAWDJNX-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCC(C)(CC)C(=O)c1scc(C)c1Cl	701389670	WGZNAKQWUPSBPZ-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@H]2CCC[C@@H]21	707842167	WMBFXXBWRASLMG-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C[C@H](O)c1csc(C)c1)C(C)(C)C	711174585	CLCYQFXPSIAZLZ-OLZOCXBDSA-N	240.412	4.552	0	10	BJAE	
CCN[C@@H](CCC[C@@H](C)C(C)(C)C)C(C)(C)C	711222471	CAJPGLBOEKMOTR-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
Cc1ccccc1N[C@H]1CC(C)(C)CC[C@H]1C	713022917	OHNFUMHBRSMWAA-HIFRSBDPSA-N	231.383	4.622	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)CC(C)(C)C1CC1	713191743	VWZBWRSHDIGTGP-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CC(C)(C)CC	713213038	YFKMBSXAEBMALM-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)C[C@@H](CNC(C)(C)C)C(C)(C)C	713251664	OZEXGFRWQCTULD-ZDUSSCGKSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)C(C)(C)C1CCC1	713666214	FPCWTSDJLZZZMQ-PTZVLDCSSA-N	249.442	4.703	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CCC[C@H]2CCCC[C@@H]21	714296526	AQQYKHZMHOPILR-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@H]1NCCC1=CCCCC1	717486994	HDNIQNBQPHJVIQ-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@]12CCC[C@H]1C2	718539752	LWRZJRWIRHEUJH-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CCC(C)=C(C)C	718575181	XPFCBVITVNSLEH-HUUCEWRRSA-N	225.420	4.667	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H]1CC1(C)C)NCC	723178280	LQRSQBOHWNYVKX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](N[C@H](C2CCCCC2)C2CC2)C1	723946771	GYPPXVFMYSFEKV-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1cccc(C(C)(C)C)c1	821963412	NITXDQCZYCFIKL-CZUORRHYSA-N	247.426	4.681	0	10	BJAE	
c1cc2c(cc1SCCCC1CC1)CCCC2	1166378538	RLDBFHVUTKAYIG-UHFFFAOYSA-N	246.419	4.848	0	10	BJAE	
CC(C)c1ccc(S[C@H](C)C(F)(F)F)cc1	1472974265	FMFFUZWBPACNSL-SECBINFHSA-N	248.313	4.853	0	10	BJAE	
Cc1ccc(CCSc2ccc(C)cc2)cc1	1640720444	FQKPFPKUCQRPMK-UHFFFAOYSA-N	242.387	4.638	0	10	BJAE	
CCC(C)(C)CCSc1cccc(C)c1	1640879913	DEUKQEXRYLEGPM-UHFFFAOYSA-N	222.397	4.913	0	10	BJAE	
CC[C@@H](C)Sc1ccc(NC(C)C)c(C)c1	1661731960	BTNBSMAKSYJCCV-GFCCVEGCSA-N	237.412	4.706	0	10	BJAE	
CC(C)C[C@@H](C)N(Cc1ccccc1)C(C)(C)C	1880410183	ZPFVDTPANVJKHT-OAHLLOKOSA-N	247.426	4.722	0	10	BJAE	
CCC(C)=CCc1cc(C)ccc1Cl	1887863365	YUTGNYVWHLBDQL-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CCCC(C)(C)c1nc(CCC2CC2)cs1	1901904484	ZMRONKWDZPCXJB-UHFFFAOYSA-N	237.412	4.563	0	10	BJAE	
CCC(CC)CCC(=O)CCC[C@H]1C[C@H]1C	1902185538	OQADWTGMTQIXGJ-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@H]1C1CCCCCC1	1910685940	PPAPQQKFFUCJHD-HRCADAONSA-N	237.431	4.514	0	10	BJAE	
C=CC=CCC[C@@H](NCC)C(CCC)CCC	1912116678	AXSWYMDZKIZBAD-MRXNPFEDSA-N	237.431	4.703	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CCC=Cc1ccccc1	1912120262	OCYRQJNULLIVJW-RDJZCZTQSA-N	245.410	4.634	0	10	BJAE	
CCCc1ccc([C@](C)(O)[C@H](C)[C@H](C)CC)cc1	1920026697	VAXYZHWKIYDQOY-CKEIUWERSA-N	248.410	4.529	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(O)c1ccc(C(C)C)cc1	1920042408	BUEXGYGBDYPEOB-WMLDXEAASA-N	248.410	4.844	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C1CC(C(C)C)C1	1921293323	YOTLAOOOVPEULX-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(C(=O)C[C@@H](C)C2CCCCC2)C1	1921321210	VYDGDZGPFYSMBX-DNOWBOINSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@@](C)(CNC)C1CCCCC1	1924147876	HDGSWYATGNUVMF-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
NC1(C[C@H]2C=CCCCC2)CCCCCCC1	1925944483	ZWSLDXZRHMNFCP-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)CCNc1ccc(Cl)cc1C	1926130833	CDZWSRBSBYEDQH-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CCC(CC)CCN[C@H](CC)c1ccccc1	1926155295	RMZAGLLFASCXIX-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)[C@H](C)C(C)C	1940414369	IRZWTDJJBAEKTL-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)C[C@@H](C)CC	1941591855	OVNAVPPDAOZNOP-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C[C@H](SCC1CCCCC1)c1cccc(N)c1	1941749804	MSOXSIDJHBLKRJ-LBPRGKRZSA-N	249.423	4.643	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@@H](C)CCC(C)C	1942658153	PFGUIVKTHYLJLZ-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCCC(CCC)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	1945311280	LZHOGHJKPXMYDS-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCCCC1(F)F	1947284489	UGNIDLJTUZCRSH-CYBMUJFWSA-N	247.373	4.513	0	10	BJAE	
CCCC1([C@H](N)CCC2CCCCC2)CCC1	1948932123	FVPBYUJBLRLQMP-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@]1(N)C[C@H](C)CCC1=C(C)C	1948971511	XYWCLXYBXJZREM-ZBFHGGJFSA-N	237.431	4.811	0	10	BJAE	
CC[C@@H](CC(F)F)C[C@@](C)(N)CCC(C)(C)C	1949019554	XTLCZYVSOCCPOK-FZMZJTMJSA-N	249.389	4.602	0	10	BJAE	
C[C@H](C[C@H](N)C1(C)CCCCCC1)C(C)(C)C	1949042993	JPAWCJOUFSZKFS-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCC[C@@H](C)CC1	1950925239	RLZZHKARDKCAEJ-UKRRQHHQSA-N	236.399	4.908	0	10	BJAE	
CCC=CC[C@@H](CC)c1cc(OC)ccc1OC	1951308416	GNKKRNTWBGDUOJ-CYBMUJFWSA-N	248.366	4.554	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@]1(C)CC=CCC1	1976659163	BHUJCPVGXJYHBD-OAHLLOKOSA-N	222.372	4.518	0	10	BJAE	
CCCC1(C[C@H](O)CCC(C)(C)C)CCC1	1988466791	NLQBHHWGROYJHG-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@](N)(CC)CC1(C(C)C)CCC1	1989464742	ZWLCEQZQFHUXDG-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(C)Cc1nc(C2CCCCCC2)cs1	1995498222	LXOIIZZISJXACV-UHFFFAOYSA-N	237.412	4.779	0	10	BJAE	
CCC(CC)CCN(C)C[C@H](C)CC(C)(C)C	1995888935	SGSGQPZYFVMHAP-CQSZACIVSA-N	241.463	4.817	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C2(C)CCCCC2)C1	1995985467	JPYCFXORJZACCH-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(-c2cccc(O)c2Cl)cc1	1996281503	PTQVNGSPSYCZKO-UHFFFAOYSA-N	246.737	4.836	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H](C)C1CCC(C)CC1	1996553202	GATLEROJCHYJQK-FYRZTWFESA-N	239.447	4.616	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCCCC[C@H]1CC	1996616906	OXDOMHCUKXXRSU-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@@H](C)CCC(C)C	2000508308	ITCAXFQNNYFIGH-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@@](C)(CCCCF)CNC(C)(C)C	2000516378	WNBOJJYLGZJBJD-HNNXBMFYSA-N	245.426	4.711	0	10	BJAE	
CCCCN(C[C@@H](C)CC(C)(C)C)[C@@H](C)CC	2000900705	QBNXZHJHNQIQBF-GJZGRUSLSA-N	241.463	4.959	0	10	BJAE	
CCCCCC[C@](C)(O)C1[C@@H]2CCCCC[C@@H]12	2002756928	BZKUXIRVTGADSP-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC=CC[C@@]1(CNCCC)CCCC(C)(C)C1	2002992358	AYTMLLPDDPATFA-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CC[C@H]([C@H]2CCCCCCC2=O)C[C@H]1C	2003116506	JEZHMAVHSZGRHU-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](CC=C(C)C)NC)CC1	2004227360	RWXSQEBBIFQYGS-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
Cc1cscc1C(=O)[C@@H]1CCCCC12CCC2	2005562777	FEGKERQTOJQIGE-ZDUSSCGKSA-N	248.391	4.600	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC)C[C@H](C(C)(C)CC)C1	2006625924	ANRNYBMDDRQIEC-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC1CC(CC)C1	2007763679	NEVJULIJVHPADH-QDIHITRGSA-N	240.431	4.636	0	10	BJAE	
CC=CCCCC(C)(C)[C@@H]1CC[C@H](C)CC1=O	2009576198	JDLFJJVLHFXFPZ-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
C/C=C/CCCNc1c(CC)cccc1CC	2009591883	XNWGRCOXFQZWLG-QPJJXVBHSA-N	231.383	4.580	0	10	BJAE	
CC=CCCC[C@H](N)[C@H]1CCC[C@@H](CC)CC1	2009597411	DBLKDDVGRQLRRY-PMPSAXMXSA-N	237.431	4.667	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C1=CC[C@H](C(C)C)CC1	2010713873	GAFRWJGWNNAGOF-ZFWWWQNUSA-N	238.415	4.556	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@@H](CCC)C(C)C	2010988447	MFSNVWWSNVEXMD-JKSUJKDBSA-N	237.431	4.548	0	10	BJAE	
CC[C@](CNC)(CC1(C)CCCCC1)C(C)C	2012408812	RAXDHEVNEIJWPM-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCCCC12CC2	2013266631	IOWZYFKSTMYQLP-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(N[C@@H](C)C2(C)CCCC2)ccc1F	2014340134	PMZQZTOJPHFBBJ-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C[C@@H](C)C(C)C	2015277830	JTZNOLVPDNOBCH-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(CC)CN(C)CC(C(C)C)C(C)C	2015341048	XJVZMGFTYZBSTM-UHFFFAOYSA-N	241.463	4.673	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccc(C)c(F)c1	2016145425	OOUXYYKWFDWXCP-ZDUSSCGKSA-N	235.346	4.681	0	10	BJAE	
CC(C)C1(C[C@H](N)C[C@H](C)C(C)(C)C)CCC1	2017148379	NMXPUJSDXKVJTP-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)CCCC(C)C)CC1	2017649191	SXZOCGBGAKWMCQ-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H](C)CC(C)(C)C)CC1	2019005505	GDPGBNYJPKKOHS-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCCC1(CC)CC	2019200392	OMPWFKAQWWVPBI-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1CCC[C@H](CC)C1	2019203643	QQVASOPPYKQDOZ-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](C)CN(C)C1CCCCCCCC1	2019285036	GRNDUQJMTURCFJ-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCCCCC[C@](C)(O)CC(C1CC1)C1CC1	2019678933	AETGIOHEOVOAED-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC1(O)CCCCCCCCC1)C1CC1	2019691409	UKNHALXKWCAWHU-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)N(CC(C)C)C1CCCCC1	2020537987	VNVPGMXXSHDEIS-HNNXBMFYSA-N	239.447	4.712	0	10	BJAE	
CCCC[C@H](CC)CN(CC(C)C)C1CCC1	2020655616	QEVAFVDIQDJONK-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC(=CCCNC(C)C)CCCCC(C)(F)F	2023298885	FTPXHMWKOYGTIT-UHFFFAOYSA-N	247.373	4.536	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@H]1CC[C@@H](N)CC1	2023554119	XJNBGFBLAZCFCV-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(C)c2[nH]c([C@@H]3CCC3(C)C)cc12	2024286285	JNSAZZNLIMZFJX-ZDUSSCGKSA-N	227.351	4.688	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCC)[C@H]1CC1(C)C	2026163142	INMXSALIBJBBJW-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)c2c(O)c(CC(C)C)oc12	2028129201	IVDIQHBONMVLNW-UHFFFAOYSA-N	246.350	4.769	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1cccc(C2CCC2)c1	2028227238	BBQRKODTOBFDGF-IRXDYDNUSA-N	246.394	4.670	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1ccccc1C1CCC1	2028228538	YMMCXTIPUGLTDZ-PBHICJAKSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)c1cccc(C2CC2)c1	2028551274	DMVLURSVQZNVFM-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CC(C)C1(CN[C@@H]2CCCC3(CCCC3)C2)CC1	2034362102	ICEKLVQTXFCELX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1CC([C@]2(CNC(C)C)CCC=CCCC2)C1	2036174633	ATHPCPUSUCFURG-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@H]2CCCC[C@@H]2C)cc1	2037084523	SRGBHQUOZOMHGG-RRQGHBQHSA-N	245.410	4.636	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@](N)(C1=CCCCCC1)C2	2037101108	SBUACSHUVLPSHS-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
Cc1cc(C)c([C@H](N)CCCC2(C)CC2)cc1C	2037174616	MDAYVGVMPLQOHA-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
C[C@@H](NC1[C@H]2CCC[C@H]1CC2)C1(C)CCCCC1	2042050586	UXCTZPGFYIQRPT-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H](C)C1CCCCC1	2043193740	ZGGTXGUNSDRMPT-HUUCEWRRSA-N	249.442	4.824	0	10	BJAE	
CN[C@H](C[C@@H]1CCCC(C)(C)C1)c1ccccc1	2045552491	RYNNVAWETGSIIE-GOEBONIOSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC1[C@@H]2CCCC[C@@H]12	2045570632	HVNYCZHDNJABSL-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2CC23CCCCC3)C1	2047060413	XSWNLHWMBYBFDN-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@H]2CC23CCCCC3)C1	2047066771	YPNTVSJQXKHOBE-NPCAHTBFSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCCC1CC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047411006	WZXLMKJFHSHJCI-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCC1(CN[C@@H]2CCCCC23CCCCC3)CC1	2047588168	XPYMMMSSDXVWOY-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC[C@]1(C[C@@H]2[C@H]3CCCCC[C@H]32)CCCCCN1	2048435973	IQYASKCYCBHRRN-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)C[C@@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048436453	RUZMYKAXAHMHCH-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1N[C@H](C)[C@@H]1CCC[C@@H](C)C1	2049536476	LVXIUFTZMCJZFA-IIAWOOMASA-N	245.410	4.876	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@@H]2CCCC3(CC3)C2)[C@H](C)C1	2049860989	WAMSOWWHKGASRU-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C[C@@H]2CCC3(CC3)C2)C1	2049935711	LTLHYCYBRMPIEE-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC[C@]1(C)C=CCC1)[C@@H]1CCCC(C)(C)C1	2049980141	WEKZXKSWTUQNAF-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCC(C)CC1)[C@]1(C)C=CCCC1	2049997764	PZXRVLOOBNUDCJ-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)[C@@H]1CCCCC12CCC2	2053356622	FRJBPNSNIFNXCY-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
C[C@H](CN[C@H]1C=CCCC1(C)C)C1CCCCC1	2055532890	QOHHSXVOVRPRKH-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@](O)(C=C1CCCCC1)C2	2056861699	BFHJCZLWCVTBJQ-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc([C@H](O)C=C2CCCCC2)cc1	2056863789	VDONLBWXNAOWSH-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CC1([C@H](O)C=C2CCCCC2)CCC2(CC2)CC1	2056936224	DANDUAHGVMOMID-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1CC[C@H](C[C@@H]2C=CCCCC2)[C@@H]1CC	2058731639	QDMJZMPUCDUMHZ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CC(NC[C@@H]2CC23CCCCC3)C1	2058827542	HYMWVZKIEULSIB-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)CC[C@H]1C[C@H]1C=CCC1	2058986592	CIZWSWCXRVBEIT-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](C)[C@@H](NCC)c1ccccc1	2059252021	DOYZADAKYUQFFI-DOTOQJQBSA-N	245.410	4.720	0	10	BJAE	
C/C=C/CCC[C@@H](NC)c1cc(C)c(C)cc1C	2059262224	KPWNKYDESMAUDP-DKRLNXSXSA-N	245.410	4.619	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CCC1(CCCCC1)C2	2059470289	PLLSTYMAVKPGSM-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CCc1cc(Cl)cc(Cl)c1C(F)(F)F	2060075686	QVBVYYKKEJUJEN-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)[C@@H](C)C2CCCCC2)CC1	2061113518	PKLGAXONNKJGRH-GRDNDAEWSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccccc1OCC[C@]12CCC[C@@H]1C2	2061598584	ZHQAAKUVMKXLAP-PBHICJAKSA-N	244.378	4.769	0	10	BJAE	
CCC1(C)CCC(N)(CC[C@@]23CCC[C@H]2C3)CC1	2061613491	AIGBSRFDZQXHEC-ORBLRFAASA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(CC[C@]23CCC[C@H]2C3)C1	2061618366	USUFTPJOOAAEBC-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NCC2CC(=C3CCC3)C2)c(C)c1	2061720116	GMINKOLSTYSWRD-UHFFFAOYSA-N	241.378	4.606	0	10	BJAE	
CCc1ccc(NCC2CC(=C3CCC3)C2)cc1	2061720934	POLIZZPKXYWEFE-UHFFFAOYSA-N	241.378	4.551	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H]1CCCCCC12CC2	2062017036	LUTOARJPUNCLGW-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@H]1CN[C@@H]1CCCCCC12CC2	2062018304	DHBGTTWJGFGCKB-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC23CCC(CC2)CC3)C1	2065275672	VMDZVHLNLNLITL-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC1CC([C@H](N)CC23CCC(CC2)CC3)C1	2065302015	CMCWYDPPFBKQNF-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CC1(CCC[C@]2(CNC3CC3)CCC2(C)C)CC1	2068233297	MVXFMBWRLBLNQI-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC1CC2(CCCCC2)C1)[C@H]1CCC1(C)C	2068347943	GZDKTBVUHMQDTB-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@H]1CC12CCC2	2069191844	BGHURPKMSMITBF-CYBMUJFWSA-N	243.394	4.586	0	10	BJAE	
CC(C)(C)C1(CNC[C@@]2(C)C=CCCC2)CCC1	2071944330	WBVYOBMASXFRCN-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2C[C@H](N)C23CCC3)CC1	2072816443	VJWACTLHZWFKQL-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CCC2(CCCC2)CC1	2074898402	CITRSNBVUUQRCO-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2C[C@H]2C2CCC2)CC1	2079318683	CSPDTGXKZOWTAJ-BGHVQYPCSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1ccccc1C1CCC1	2079473326	KHFVLCJUTCLLOU-XJKSGUPXSA-N	242.362	4.573	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1C[C@H]1C1CCCCCC1	2079481999	CPDNYWKRDNZWJK-HOTGVXAUSA-N	248.410	4.908	0	10	BJAE	
NC1(C[C@H]2C[C@H]2C2CCCC2)CCCCCCC1	2079665990	OQKTZUFFBVGYPI-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C[C@@H]1CCCC(C)(C)C1)[C@]1(C)C=CCC1	2082989162	YXEFPCNAKCXOKN-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H](C)c2ccsc2)CC1	2215824469	TXCMVOQCWAFLNN-ZFWWWQNUSA-N	249.423	4.535	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CCC[C@@H](C(C)(C)C)C1	2216256797	JFLQVJWIJLMCIZ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCCCC(F)F	2216511935	KINQIZJPPDGZHB-GFCCVEGCSA-N	248.357	4.988	0	10	BJAE	
CC[C@H]1CC[C@H]1NCCCCCCCC1CC1	2216899235	UDLXSZHQZKPHAY-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCC1CC(CN[C@H](C)CC)(CC(C)(C)C)C1	2217149218	HNHYQEJFZZFLCW-VQCLRJIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CN[C@H](C)CC)[C@H]1C[C@H]1C	2217150475	NJUYCJWBAAVDMW-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](O)C/C=C/c1ccccc1)C(C)(C)C	2219062519	NGEQXCMYFLKYHY-MDKANAEZSA-N	246.394	4.523	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)C/C=C/c1ccccc1	2219065008	LPHRBKUJTFJEOG-MOWVAICQSA-N	246.394	4.523	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)CCCCC1CC1	2220041232	PMDPJRBUAQXEEC-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
C[C@H]1CC[C@@H]1CC(=O)c1cccc(C(C)(C)C)c1	2220641083	ZNXLBYJHZBKGIZ-QWHCGFSZSA-N	244.378	4.603	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@@H]1[C@H]2CCC[C@H]21	2223109405	NGSWJVMQODDJJR-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@]1(CNC1CCC1)C1CCCCCC1	2223570026	WPPVHBSGZSFSPC-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@@](CNC1CCC1)(C1CCCCCC1)C1CC1	2223596140	DCYWZWDAPFCJTJ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@](C)(N)CCCC[C@H]1C[C@@H]1C	2243053457	QPRPPKNWOQRPGX-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCCCCNC(C(C)(C)C)C(C)(C)C	2243360270	NIRVXYYGOUWVMZ-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1sc(C)c(C)c1C	2244786262	ZHPMGSNUIFVANF-STQMWFEESA-N	240.412	4.533	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCC[C@H]1CCC[C@H](C)C1	2246687066	LRFGTTHPBUEDBZ-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C(C)(C)C1CCC1	2247160367	UBCGUQMFFDZAFV-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](O)C1(C)CCCCC1	2247161445	AXNRYFBGNBZFLT-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)CN(C)CCCC[C@@H]1C[C@@H]1C	2247175475	JKBZKRUJIWJLJG-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CC(C)(CCNC(C)(C)C)CC1=CCCCC1	2247530461	YANQNUOWMYCLAE-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCc1cccc(F)c1N[C@H](C)c1ccsc1	2248101986	JDPAEIRHMGTSDG-SNVBAGLBSA-N	249.354	4.623	0	10	BJAE	
CCC1([C@H](O)CCCCC[C@@H]2C[C@H]2C)CCC1	2248842774	RCFKCJAVDXXOSG-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C(F)F)[C@@H](C)CC	2250070429	WIOKILDUPAXYHL-RWMBFGLXSA-N	249.389	4.615	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(CN)CC1(C)C	2250467269	OZLZZPNITDIDQK-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
CCN[C@H](C)[C@@H](C)CC[C@H](C)CCCC(C)C	2250478896	NIRUXTNGJGMMDU-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC[C@](O)(C[C@@]12CCCC[C@@H]1CC2)C(C)(C)C	2251217313	QUQGKUPJSINEDZ-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCCC(=O)C1CC(CC(C)(C)C)C1	2251544374	UJKWUDVHXFJTLN-UHFFFAOYSA-N	234.383	4.540	0	10	BJAE	
CCCN[C@@H](CCC)c1ccc2ccsc2c1	2253056525	IKDSBWDLEFUGPY-AWEZNQCLSA-N	247.407	4.742	0	10	BJAE	
CCCCC[C@@H](NC)c1ccc2ccsc2c1	2253060297	KJFITUSYRRAXQZ-CQSZACIVSA-N	247.407	4.742	0	10	BJAE	
O=C(CC[C@H]1CCCCC12CC2)[C@@H]1CC=CCC1	2253788716	CLRCXZMHBYVVMR-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1	2253939318	RSIWQFHZFMJBOF-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@H]1CCCC12CCC2	2254596407	VOLIRSNZXXQKBG-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@H]1CCC1(C)C	2254832970	NKWWNARDMXABOF-CJNGLKHVSA-N	246.394	4.670	0	10	BJAE	
N[C@H](CCCCCC1CC1)C[C@@H]1CCCC12CC2	2255222970	LFVPWQKBXGFRBW-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNC1(C)CC2(CCC2)C1	2257321486	KOGCXBUPMTWMMF-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C=C1[C@H]2CCC[C@@H]1C[C@H](N)C2)CC	2258079540	QMJKVLKHBXMRFH-CAOSSQGBSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@]23CCC[C@@H]2CC3)C1	2260500228	JGHTWROSICMOPO-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CN[C@@]12CCCC[C@H]1CC2)C1CCCC1	2260540868	VRDBHUPLIZDMFF-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@@]12CCC[C@H]1CC2)CC1CCCC1	2260649492	XJAFPYPXEXMRBN-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)[C@H](N)c1cccc(C2CCCC2)c1	2260726999	JPUPIEABLLRJHG-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CC[C@@H]1CCC[C@H](C)C1	2298255832	AGLRYFPKWDPJJH-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@]12CCCC[C@@H]1CC2	2298685783	TWLIMLGLEGWVIO-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)[C@@H](C)CC1CCC1	2298906954	DCORJCOHJSCUHB-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@](O)(CCC(C)C)C1CC1	2300691504	VAWCKRMPXINHCY-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](CCCC=C(C)CCCC(C)C)NC	2300887396	HSTXFNITEMUYLP-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@H](C)CC(C)(C)C	2300904299	NJTZQKOVRZKHRP-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCC(C)=CCC(=O)[C@]12CCCC[C@H]1CCC2	2300926906	QABPGHRIRNRRRM-HOCLYGCPSA-N	234.383	4.662	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)CC1CCCCCC1	2301143974	ZAOUJOPQMFTVCI-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H](C)[C@H](C)C(C)C	2301836780	OWEGLSDKYUCKLR-LVQVYYBASA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(N)C[C@@H]1CCCC(C)(C)C1	2301944543	GVURMDRWNOBYFH-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@H](C)[C@H](C)C(C)C	2301962790	WLGLPBXEGKTEOA-KLHDSHLOSA-N	241.463	4.704	0	10	BJAE	
CCCCCCc1ccc(F)cc1C(F)(F)F	2302225553	WWHOCAUDYZPJPB-UHFFFAOYSA-N	248.263	4.967	0	10	BJAE	
CCNCCC(C)(C)CCCC1=CCCCC1	2302358280	DWRJVQMPXDZPOT-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC(C)NCC[C@H](C)CCCC1=CCCCC1	2302359424	QUCUGIPKSXZHJZ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C[C@]1(CCCC2=CCCCC2)CCC[C@@]1(C)O	2302361328	LPLCJSUOPCGNHD-JKSUJKDBSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC1CCC=CCC1	2302615019	ICPSCZNLDIEDPI-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](NC2CCCCCCC2)CC1	2303458835	LAYGPCDUGYTPGE-INIZCTEOSA-N	235.415	4.578	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](O)[C@@H](C)C(C)(C)C)CC1	2303526718	ZIVFETDLHRTOIN-RBSFLKMASA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1CCC(C)=C(C)C1)NC	2303594633	JQYQAAIVQUHNBO-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](CC)c1cc(C)ccc1C(C)C	2307501649	SEQMIOPIOZTZCE-INIZCTEOSA-N	233.399	4.569	0	10	BJAE	
CCC[C@@H](CC)Cn1ccc2cc(C)ccc21	2307806300	MNOMNWDSUQOLLT-CQSZACIVSA-N	229.367	4.776	0	10	BJAE	
CCC[C@@H](CC)CC[C@@](C)(O)c1ccccc1	2307821940	JWLBPKDRYVTESK-GDBMZVCRSA-N	234.383	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)CC1CC2(CCC2)C1	2307906050	BKABPWKJRYASMI-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)cc1	2308400880	QMIPLCBNQTXWOK-BHYGNILZSA-N	243.394	4.766	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1CCC[C@@H]2CC[C@H]12	2309525844	ZYWPKSNCQBXPQO-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CCC)[C@]1(C)C=CCC1	2311586712	PKZIJODBOKZGEE-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CCCC[C@H]1F	2315878560	VKIZPRRMEPKLBN-CABCVRRESA-N	249.373	4.811	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316748274	YORPIDVTTDWKQL-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CN(CC1CCCCCC1)C[C@]1(C)CC=CCC1	2316882764	CHCAXDNEMBGPLL-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CC(C)c1ccc(F)cc1NCCC[C@@H]1C[C@H]1C	2317920513	POJBKNVVPSQJDX-CHWSQXEVSA-N	249.373	4.797	0	10	BJAE	
CCCCCCc1cc([C@H](C)NCC)ccc1C	2318370257	TVDWKFPMQCMVHK-HNNXBMFYSA-N	247.426	4.788	0	10	BJAE	
C1=C(CCCN2CCC3(CCCC3)C2)CCCC1	2318577014	UMVULRWSUSWGQB-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
C[C@H]1C[C@H]1CCCN(C)CCCC1=CCCCC1	2318580205	XVQTYDYFPZLPLR-DOTOQJQBSA-N	249.442	4.635	0	10	BJAE	
CC[C@H]1CC[C@H](C)N(CCCC2=CCCCC2)C1	2318582284	BCZQDFNAUMUHOJ-HOTGVXAUSA-N	249.442	4.778	0	10	BJAE	
NC[C@]1(CCCC2=CCCCC2)CCCC12CC2	2318585892	BUXIMQYVRZCWQG-KRWDZBQOSA-N	247.426	4.566	0	10	BJAE	
CC1(C)C[C@@H](N)C[C@@H](CCCC2=CCCCC2)C1	2318591699	AZYBPBDOVDETPN-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CC[C@H]2C(C)(C)C)cc1C	2320153845	QBENYCWSEPWTPE-LSDHHAIUSA-N	244.378	4.558	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CCCCCC23CC3)CC1	2320408259	ISISXEBRTFBVRX-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC=C[C@H](NCCC)c1cccc(C2CCC2)c1	2320652740	YDSBCXAAYXHMFC-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1cc(C)c(C)cc1C	2328205837	GLQXXEJFBHVYCJ-WBVHZDCISA-N	247.426	4.828	0	10	BJAE	
Cc1ccc(-c2cc3cc(Cl)ccc3[nH]2)s1	1518034	DYBOTDQZCNXSQU-UHFFFAOYSA-N	247.750	4.858	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccc(Cl)cc1Cl	20556494	YVYCCKZWSHGOEK-RKDXNWHRSA-N	246.181	4.840	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@H]3CCCC[C@@H]3C2)cc1	37215841	IOLSWYNNNIHYQO-INMHGKMJSA-N	243.394	4.766	0	10	BJAE	
CC[C@H](N[C@H](c1ccccc1)C(C)(C)C)C(C)C	37292279	IOMRWPUSFFBOIF-JKSUJKDBSA-N	247.426	4.798	0	10	BJAE	
CC(C)Cc1ccc2oc(C3CCCC3)nc2c1	62533915	LBUWAEQJOIBNIK-UHFFFAOYSA-N	243.350	4.684	0	10	BJAE	
CCCCCCNc1cccc(OCCCC)c1	66168342	XBDJZUUVFJPVRZ-UHFFFAOYSA-N	249.398	4.858	0	10	BJAE	
CCCC[C@@H](CC)Cn1cc(C)c(C)c1C	69234059	RGVCYXXWQXXQAK-OAHLLOKOSA-N	221.388	4.630	0	10	BJAE	
CCCCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1N	69406188	XRVOHLIJNMRZAQ-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCCC(C)(C)C1	70683054	OIVCAOAXJNTUGL-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@@H](CC)NCc1cc(C)cc(C)c1	83377772	CRFJMXBLIIBZKL-QGZVFWFLSA-N	247.426	4.752	0	10	BJAE	
CCCCC[C@@]1(N)CCC[C@H](CCC)CC1	83437441	SPEDMAOVGXWDDF-LSDHHAIUSA-N	225.420	4.645	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@@H](C)C[C@@H]1C	85098724	IPACVZQWQKRCIA-IVMMDQJWSA-N	245.410	4.794	0	10	BJAE	
CC1CCC(N[C@@H]2CCCC(C)(C)CC2)CC1	86893781	DZRDJAHODRBPTD-SHARSMKWSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC2(C)CCCC2)CC1	86909187	YMGBQBYMSSBOQJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1CCCCCC1	87946981	ABYNSDLKLOLNLR-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCCC1CCC([C@@H](N)CCC(C)(C)C)CC1	87962524	XAJOXCDCKLTLKC-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCCS[C@@H]2C)cc1	94475456	DXHWTYJRPRNNJA-DOMZBBRYSA-N	249.423	4.506	0	10	BJAE	
C/C=C\C[C@@H](C)c1cc(CC)ccc1CC	107473391	DDZVOPFAKHNXBT-DMTLFAOVSA-N	216.368	4.881	0	10	BJAE	
C/C=C\[C@H](C)Cc1ccc(Cl)cc1Cl	107533651	PGSADRMONGEZPH-TYRPZCRBSA-N	229.150	4.748	0	10	BJAE	
CCCc1ccc(C(=O)[C@H]2CCC[C@H](C)C2)cc1	109710067	LRCFNIFBHGKTNW-BBRMVZONSA-N	244.378	4.648	0	10	BJAE	
CCC1CCC(CN[C@H](C)CCC(C)C)CC1	109917837	DZUBKHPAXOFDGL-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](c1cc(C)ccc1C)C(C)(C)CC	110214604	FMTOCSVPSGCTLQ-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
C[C@@H](Nc1ccc2ccccc2c1)C(C)(C)C	122918001	YJQSKSFBHBVGLJ-GFCCVEGCSA-N	227.351	4.686	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@@H](C)CC(C)(C)C	124278246	WMRXQCTWZWPJDP-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
CCCc1ccc([C@@H](C)NCC(CC)CC)cc1	124784290	PDIRLXPQBUXVCD-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
CCC1CCC([C@@H](O)C[C@@H](C)C(C)(C)C)CC1	125519873	IGZNUOGMLPANLI-URGYJCLVSA-N	240.431	4.636	0	10	BJAE	
CC(C)([C@@H]1CC=CCC1)[C@@H]1CC=CCC1	135645685	JVAZARKLIFENBH-ZIAGYGMSSA-N	204.357	4.725	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCCC1	149588024	ZOXJDKDFAQXUTQ-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)N[C@H](C)c1cccc(C)c1	160128748	DXUZNIWFBDMPFH-CQSZACIVSA-N	233.399	4.614	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H](C)c2ccco2)CC1	160761444	SHXOAGWOUCSOAA-KFWWJZLASA-N	249.398	4.535	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H](C)c2ccco2)CC1	160777144	SJMRSVPBZAIEHT-KFWWJZLASA-N	249.398	4.679	0	10	BJAE	
CCCCCC[C@@H](CC1=CCCCC1)NCC	161330670	WNPGZESEMQAQFJ-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CN[C@H](CCC(C)C)c1cccc(C2CCC2)c1	169048103	KGPCSKQEFBHXOI-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)C1CCC(C)CC1	211973988	ACHWBGDOTYVBTG-AUWJEWJLSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1NC[C@@H]1CC=CCC1	223853693	RXOWIAXXJPVUPL-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@H](C)NCCCC1CCCC1	225041699	AMDOLQFPFNWOTB-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC1(CN[C@H](C)c2cc(C)cc(C)c2)CCC1	233092524	MJFRLOWWXYVRPT-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCC[C@H]1CNC(C)(C)C	251379757	VUVSYXUEVJWVPT-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@H]1CCC[C@H]1C	300282816	IYHXGTVESGHTKO-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC(C)(C)C[C@H]1C	300691134	QAILBJGHKIWGJH-QLFBSQMISA-N	239.447	4.760	0	10	BJAE	
CCC1(C(=O)C[C@@H](C)CC(C)C)CCCC1	300991372	VQHBZBDEQZVMQX-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCc1cc(N[C@H]2CCCC(C)(C)C2)ccc1C	302292396	KXQLFWAICJCPFQ-INIZCTEOSA-N	245.410	4.938	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(CNC(C)C)C(C)C	302379782	PMEMTJHWLOVPKZ-JKSUJKDBSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)c1ccccc1C	305956492	NWIKAUGEOIQKQP-RHSMWYFYSA-N	247.426	4.718	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1CCCCC1)NCC	306060301	WSGSSZFLZVQHNM-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
Cc1c(Cl)sc2cccc(C(F)F)c12	307501890	VAZHRADZJRDNDB-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NC)[C@H](C)CC(C)C	308053136	OEANJJKWOBDDEW-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CCC1(CNc2ccc(C)cc2Cl)CCC1	309317029	ZBTQRLIVJBLOIM-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCCC[C@H](CCC)NCC1(CC)CCC1	309759175	MDXOBNOFNGXJCJ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC1(C[C@H](N)C[C@@H](C)CC(C)(C)C)CCC1	310168399	SSCSWJMYMDELLD-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)c(NC[C@H](C)C(C)(C)C)c(C)c1	310259624	CDCITPZFQAUJQI-AWEZNQCLSA-N	233.399	4.706	0	10	BJAE	
CCC(CC)[C@]1(CNC(C)(C)C)CC=CCC1	317206444	JCJHFWZCCSOJBR-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCCC)[C@@H](C)C(C)C	319773394	FXGKYQDHCMGJST-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCN[C@H]1CCCC12CCCC2	328260669	LHEZRMDTBIVRLT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC1(Nc2ccc3ccccc3c2)CC1	379434764	NRDWMIXEHLHXJF-UHFFFAOYSA-N	225.335	4.584	0	10	BJAE	
CC(C)CC[C@H](C)NC[C@H](C)C1CCCCC1	379928175	TUPVUMHFADEQSS-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](NCCC)C1(CCC)CC1	380675792	DEWQPAUAMWJPKN-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC1(CNc2cc(C)ccc2Cl)CCC1	381527932	XOWUECIGWCSOQV-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCCC1(N[C@@H]2CCCC[C@@H]2CC)CCCC1	382252367	FCXBIWFNXLSOAP-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
Clc1ccc2ccn([C@H]3C[C@H]4CC[C@H]3C4)c2c1	383128642	LZWQXEUMVFZHQK-JKOKRWQUSA-N	245.753	4.656	0	10	BJAE	
CC(C)CCCCC[C@H](N)CCC1CCCC1	383223895	GBMGNVZMDOVFLU-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
C/C(=C/C1(C)CCCCCC1)CNCC(C)C	394671643	OAWRCEQDMWBOGC-PTNGSMBKSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(O)cc1-c1ccc(C(C)(C)C)cc1	394755950	AXEGUBQQIKXSGQ-UHFFFAOYSA-N	240.346	4.665	0	10	BJAE	
CC[C@@H](NCC(CC)(CC)CC)[C@H]1CC1(C)C	397724737	YHWTXJPDVQXLCI-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H](CCC2CCC2)Nc2ccccc21	398628092	IRFSPYIUXWFZMR-TZMCWYRMSA-N	229.367	4.555	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H](C)C(C)(C)C	399181454	OWBAOSCDSNULNH-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)c1cccc(C)c1C	401276372	PRPPZBYJJKGEGY-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1/C=C(/CN)C1CCCCC1	401757316	QLJWPYAGHQIAJG-JFBHYCPVSA-N	249.442	4.668	0	10	BJAE	
CCC[C@@H](CCC[C@H]1C[C@H]2C=C[C@H]1CC2)NCC	402139013	ICIKKNGJLSTTAV-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CC[C@@H](N)C(C)(C)C(C)(C)C)C1CC1	405795171	IEERFTSBCMHNMV-CYBMUJFWSA-N	239.447	4.602	0	10	BJAE	
CCCC1(/C=C(/CNC)C2CCCCC2)CCC1	686131605	SRQSCDIYUBEBBJ-SSZFMOIBSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CCCC2CCC2)C1	688354186	ROUWXMQNCGBXOB-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(=O)C1(CC)CCCC1)CC(F)F	688823001	DZWKKJOLUBBHJL-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCC1([C@@H](O)c2cccc(C(C)C)c2)CCCC1	688971472	PXWOBMAVVUHWMX-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
C(=C/c1ccccc1)\CNc1cccc(C2CC2)c1	690126650	LMSWZPLUDHUDGO-VMPITWQZSA-N	249.357	4.689	0	10	BJAE	
CC[C@H](Nc1cccc(C2CC2)c1)c1ccco1	690170005	HVZNVGYYOZWCSG-HNNXBMFYSA-N	241.334	4.720	0	10	BJAE	
CCC[C@@H](C)CC1(CNC(C)(C)C)CC=CC1	690474145	SOKHEJVQBCWQHV-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccc([C@@]2(O)CCCCC[C@@H]2C)cc1	691039798	QKPMRKBMISHKEE-WMLDXEAASA-N	246.394	4.598	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1Nc1cccc(C2CC2)c1	691089990	OSLCIGYAODYQTJ-GUYCJALGSA-N	243.394	4.945	0	10	BJAE	
CCCCCC[C@H](C)[C@@H](CC(C)C)NCC	695072720	ZOHVHHXUDRXVGF-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)CC(C)C	696645298	LQQFTYHLVHFJJQ-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CNC)CCC[C@H](C)C1	696799641	MNLWKRWHPQQRJM-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C(C)(C)CC	697777018	DOJLTWHJBUUENW-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C1CC2(CCC2)C1	700830062	DCKKKGHZAYUWTI-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CCC([C@@H](O)C(C)(C)CC)CC1	701047293	DXEOLHDHFPGOGR-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
C[C@@](N)(CCC1CCCC1)CC1CCCCC1	704888671	LCCXHUWZYPRKBW-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCC[C@H]1CC=CCC1	706959495	KAFYJZALSTWBTM-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C2CCC2)C2CC2)c(C)c1	707866630	AHZHUQCWLOXTOQ-KRWDZBQOSA-N	243.394	4.602	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@H](C)CC(C)(C)C	708256870	VYAJAFRAGVYCHF-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCCF)[C@H](C)CC(C)(C)C	708295662	DWRHKDHCZABXPC-KGLIPLIRSA-N	245.426	4.567	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@@H]1CCCC2(CC2)C1	710135746	NBIWNZXKKDOMNR-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C[C@H](O)c1cc(C)cc(C)c1)C(C)(C)C	711085734	FMSIFIWOMZDHOZ-HOTGVXAUSA-N	248.410	4.799	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CC(C)(C)CC[C@H]1C	713075552	BJXAHZNNMRBAJS-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(O)CC(C)(C)C(C)C	713145243	GWUFKPZGUNIDAG-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C[C@H](CC(C)(C)CC)NC)C(C)(C)C	713235723	RRYLZZWZIWKZGZ-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCc1cccc2ccn(CC(C)(C)C(C)C)c12	713239037	FUSPAGPHMSYKRG-UHFFFAOYSA-N	243.394	4.886	0	10	BJAE	
CCC(C)(C)C[C@H](CNC(C)(C)C)CC(C)C	713263544	BSFPEHFEURUOOR-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CCC[C@@H]2C[C@H]21	718591551	YSMAKDVJVNYVAI-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCCc1ccc(F)c(F)c1	718785782	GMUIQPOOOSTAJR-UHFFFAOYSA-N	224.294	4.644	0	10	BJAE	
CC(N[C@@H]1CCCCCC1(C)C)(C1CC1)C1CC1	719301564	WNPVEUWHRPLMLC-OAHLLOKOSA-N	249.442	4.514	0	10	BJAE	
Cc1csc(C)c1C(=O)CCC1CCCC1	724944816	JLRSNWPFNFYFCT-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
C[C@H](CC1CC1)n1ccc2c(Cl)cccc21	1899434269	WPTYIQRLVVQUFR-SNVBAGLBSA-N	233.742	4.656	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CCCC(C)C	1900858269	NRILEYZDHDUEDP-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)CC[C@@H](O)CCCCC1CC1	1902163435	CDBCNHIYGZPJIY-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CC)c1cccs1	1905360991	HXMZVCKQTNQUFQ-GXTWGEPZSA-N	239.428	4.529	0	10	BJAE	
CCC=CC[C@@H](C)c1cc(C)cc(C)c1	1911898326	RQPYQOUCULAHOB-CQSZACIVSA-N	202.341	4.763	0	10	BJAE	
CC(=CCCNC(C)C)c1cccc(C(C)C)c1	1911994115	JPUHJVNCLFEARW-UHFFFAOYSA-N	245.410	4.601	0	10	BJAE	
CC[C@H](C)C[C@H]1CCCCCCCC[C@H]1O	1913397827	KAFIKMBBIKVJAA-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@](O)(CC)[C@@H]1CCCC[C@@H]1CC	1919526531	SOYIOFVUZCICIR-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC1(C)CCCC1	1920186440	HBMJFNXRDZJSAZ-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CCCC(C)(C)C	1920187455	KFMYWHRMFOPNIL-UKRRQHHQSA-N	227.436	4.747	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1N[C@@H]1CCCC12CCC2	1921494148	DGGLEDMCAMJVJW-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CCCC23CCC3)CC1	1921610667	PGOAGKNABWLZNF-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccccc1NCCC(CC)CC	1926161029	FDCPTQJKYMEJCK-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CCc1cscc1-c1ncc(C(C)C)s1	1932995925	QGVXLWJJTYVNGS-UHFFFAOYSA-N	237.393	4.557	0	10	BJAE	
CCC[C@@H](C(=O)C[C@H](C)C(C)(C)C)C(C)C	1936209041	NKKPXIASRCRODV-QWHCGFSZSA-N	226.404	4.700	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)CCC1CCCC1	1937171190	YIVJBWDALQMVAB-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC2(C)CCCCC2)[C@H](O)C1	1940412862	JCPQEKZDNDPEOW-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)CC1CCCCC1	1940790190	KGGJTROPGDELEY-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CCC[C@H]2CC2(C)C)C1	1940873322	QTNXZCRVBCMJHI-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C[C@@H]1CCC[C@H](C)C1	1941265281	VHKSMBFFSUZDHA-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)C[C@H](C)C1CCCCC1	1944661497	UFPPBVHZMQXRPT-DZGCQCFKSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)CCC(C)(C)C	1947457448	WRPLAVUBMSECKW-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC[C@@H]1C(C)C	1947462742	MZDQHUMJEJGMSO-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCC1(C)CC(NCCC2CCCCCC2)C1	1948399245	ZEEFOKXAFCBSJO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](NCCC)C1CC(C)(CC)C1	1948413245	NWUUTWQHWDMJJG-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)NC1CCC(C(C)C)CC1	1948423246	OTFMXXCITCOFDQ-PCKAHOCUSA-N	239.447	4.760	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]3C[C@H]3C2)c(C)cc1Cl	1948812960	XTFBAOZTCFJCDJ-FRRDWIJNSA-N	249.785	4.557	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H](C)C1CCCCC1	1948925467	GAZPFRNQQMBVLE-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CC1(C)CCCC1	1948982155	KRFCNBCFAPBNPU-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CCC[C@@H]1CC1(C)C	1949051836	RPZSOAKXEYIXPW-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CC[C@@](O)(CC1CC1)C[C@@H](C)C1CCCCC1	1950094252	GYUZWBVKGHSMQR-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1CC12CCCCC2	1950641126	LGFIGRNQFHVHRJ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@H](NC)[C@@H]1CCCC(C)(C)CC1	1950916562	BISBJCMDGONIOS-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
O=C(CC1CCCCC1)c1cc(Cl)cs1	1958192117	YEDBERMOPBYCAM-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCCCC[C@H](C)NC1CC(CC)(CC)C1	1963223049	RANQWFJEXAEOQL-ZDUSSCGKSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC[C@]2(C)C=CCCC2)C1	1966038326	SEFYIVFDIMWVRO-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2CCC(C)(C)C2)c1	1968307486	KUDYWLJERLYCJD-AWEZNQCLSA-N	232.367	4.509	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1N[C@H]1CCC12CCC2	1968673749	MVRHTRKUFWGJMW-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)N(C)Cc1ccc(C(C)(C)C)cc1	1968854334	QTYNTQPOJUGPGX-AWEZNQCLSA-N	247.426	4.605	0	10	BJAE	
CCC(CC)N(CC(C)C)C[C@@H](C)C1CCC1	1971358456	BWUXYLNILWANGG-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)C[C@@H](C)CC	1978638800	NIVLCHULEYDQOJ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)c2cccs2)C1	1980686923	HWFPVNKFEFTQHJ-LLVKDONJSA-N	236.380	4.537	0	10	BJAE	
C/C=C/CCCC(N)(CC(C)C)CC(C)C	1984576016	VBLLQDRMXYMVFE-VOTSOKGWSA-N	225.420	4.523	0	10	BJAE	
Cc1cc(OCCC(C)(C)C)c(C)cc1Cl	1989926392	MFSXCXDFODEIFW-UHFFFAOYSA-N	240.774	4.772	0	10	BJAE	
CCCC[C@@H](CC)c1nc(CC2CC2)cs1	1995466397	CODGSZWGJJPSJV-GFCCVEGCSA-N	237.412	4.779	0	10	BJAE	
C[C@@H]1CC[C@H](CNc2ccc3sccc3c2)C1	1996223192	QCMNTCDZIWXYEU-NEPJUHHUSA-N	245.391	4.749	0	10	BJAE	
CC[C@@](O)(C[C@@H](C)C(C)(C)C)C1CCCCC1	1996555888	UNGPDIUOGLWIPG-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CC1(CN[C@]2(C)CCCC2(C)C)CCCCC1	1997354404	XMCBBUOJFWMCLU-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)C1CC=CC1	1997551304	KFBDSOCCFGFVJA-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
C[C@]1(C(=O)CCC2CCCCC2)CC=CCC1	1997606539	LHBRSWCAIFRPPD-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CC[C@H]1CC(C)C	1998742846	ONQHBGKLHGNREM-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)c1	2002998342	KNFNZSHWXAPQIX-BPLDGKMQSA-N	231.383	4.622	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)[C@@H](C)CCC(C)C	2003175539	KRXUWYCZRZGBBB-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@H]1CCCC2(CC2)C1	2003212829	ZUQGMBOMGYXWOZ-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC1CCC2(CC1)CC2	2003216711	FEJINDRIOXBSFM-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCC(O)(CC2CC(C)C2)CC1	2004354124	VZFKJJNMEPYTHQ-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CCCCC23CCC3)cs1	2005565907	VDCCIVFFEPIDDP-ZDUSSCGKSA-N	248.391	4.600	0	10	BJAE	
CCCC[C@@]1(CNC(C)C)CCCCC1(C)C	2005598343	VFFGLCHOIVUGCT-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC1=C(C)[C@H](N)[C@@H](CCCCCC(C)C)CC1	2006903360	YZABVDFVLLPXHP-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
FCc1ccc(NCC2CCCCCC2)cc1	2007028216	SHGUQROXRJWDSU-UHFFFAOYSA-N	235.346	4.538	0	10	BJAE	
CCC(C)(C)C[C@H](O)C1(C)CCC2(CC2)CC1	2007687670	DQRDGCZMUGIPQH-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C=C1CCCC1)c1cc(C)c(C)s1	2007939560	ITMMEKNTEPJOJK-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CCC[C@@H]1N[C@@H](C)C[C@H]1C1(C)CCCCCC1	2009056814	OJIKVIFQUDRUAR-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](NC)[C@@H]1CC	2009233616	DSJHUDQQJATHCX-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C1(C)CCCC1	2009546412	DVHZBTUMHZGYNN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC([C@](C)(N)CCC2(C)CC2)CC1	2009551033	DHSXLWVDLLOZFC-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H](CCC)C(C)C	2009615769	BSVIJRXWJRYXDS-HKFHSAMXSA-N	239.447	4.783	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCC[C@@H]2CC)C1	2009715192	ZMASTWKBIWMHNB-GRAKBVBRSA-N	237.431	4.514	0	10	BJAE	
CCCCCC1CC(N[C@H](C)C(CC)CC)C1	2009717651	LXWQOQACZMJLEB-VQCLRJIVSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC1=CC[C@@H](C(C)C)CC1)NC	2010761908	GWQWDICJBLZJMT-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@](CC)(CC1(C)CCC1)C(C)C	2012421954	QVEYREZGJBIQEB-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@H](N)c1sc2ccccc2c1C	2014292412	OUGOJAGVYPREEA-GWCFXTLKSA-N	247.407	4.646	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)C1(C)CCCC1	2014340057	OWAYNVMPGLOXHQ-HUUCEWRRSA-N	239.447	4.760	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(O)CCC2(CCCCC2)C1	2015285510	XFFDKDGJBXAKAY-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](NC)C2(C)CCCC2)CCC1	2015642381	PVIIEKMMTKQGFI-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)C2(CC(C)C)CC2)CCC1	2015758026	YRIFJYDXWDGFHP-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H](C)CCC=C(C)C	2016150092	PUSSXQNPASMUDY-ARFHVFGLSA-N	237.431	4.680	0	10	BJAE	
CCCN[C@@H](CCC)CC1(C(C)(C)C)CCC1	2017139517	WFJOZRXNKQYKAR-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@H]1CC[C@H](C)CC1	2017722469	PYWUEDDRYDOTPH-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(N)CCC(C)C)CC1	2017727609	BRCGIFPTLWCXGZ-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(N)CCCCCC2)CC1	2017732281	ZUDQUFIBUDDOMR-SHTZXODSSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@]1(C)NCC1(C)CCCCCC1	2017868663	NMYVWYHIAHFMIO-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCC23CCC3)sc1C	2017984229	BDRZONUZPXIJJP-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCCCC[C@H](CC)NCC1CCCCCC1	2018131836	VJNJQWHEJBFBIY-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCCN(CC1(CCC)CC1)C1CCCC1	2020535646	KHPDFMWDZYPLKX-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC(C)=CC[C@@H](N)c1sc2ccccc2c1C	2023323481	VGELIQPJSXFZQW-CYBMUJFWSA-N	245.391	4.566	0	10	BJAE	
CC(=CC1CC(C)(C)CC(C)(C)C1)CCCN	2024091772	LMGUBOZJFOCSIA-UHFFFAOYSA-N	237.431	4.524	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CC(C)(C)C1(C)C	2025054064	KONYGQACDCUHPS-KBPBESRZSA-N	237.431	4.536	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1CCCC[C@H]1C	2026074084	KLJBIFBVRHVZGC-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
CC(C)Cc1csc([C@@H]2C[C@H]3CCCC[C@@H]32)n1	2026523890	DHVWQHZQDPYQIV-KWCYVHTRSA-N	249.423	4.635	0	10	BJAE	
CCCc1cccc2c(C[C@H](C)CC)coc12	2026533282	JYQITCLFAAOKAU-GFCCVEGCSA-N	230.351	4.974	0	10	BJAE	
CC1(C[C@@H](N)CC(C2CC2)C2CC2)CCCCC1	2027312894	AHNNHDSUGNOYAZ-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@H](C)C1CCC1	2027519832	HOZMDUSPUYGILQ-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CC(C)c1ccc(C(=O)CC[C@H]2CC2(C)C)cc1	2027818490	LUOJOBOAQNMIOM-HNNXBMFYSA-N	244.378	4.819	0	10	BJAE	
Cc1cccc(C(=O)CCC[C@H]2CC2(C)C)c1C	2027844019	VVUVWBSNFNYBON-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1ccc2ccccc2c1	2028237609	BCZVCPFSUZKOIH-IRXDYDNUSA-N	242.362	4.555	0	10	BJAE	
Cc1ccc([C@H](O)[C@H](CC(C)C)C(C)C)c(C)c1	2028239997	IVIIKROEAVFKTG-SJORKVTESA-N	248.410	4.655	0	10	BJAE	
CCC[C@@H](C(=O)c1coc2ccccc12)C(C)C	2028257340	ISASOWUSNFHLQY-GFCCVEGCSA-N	244.334	4.688	0	10	BJAE	
CCCCC[C@H](C=Cc1ccccc1)NCCC	2028583042	GLFNRZMQEASVMH-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1ccccc1CC(C)C	2028914262	DSTDCWKNYUQAFO-UONOGXRCSA-N	246.394	4.750	0	10	BJAE	
C[C@@H]1CC(CC(=O)CC2=CCCCC2)C[C@@H](C)C1	2031829123	UKFXBIKVCFECOM-KBPBESRZSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@H]1CCC(C)(C)C1	2033396961	YTBJLIKTAFWRTQ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C12CCC(CC1)C2(C)C	2033444374	QCJGYNXZYPVRSJ-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@H]1CCC[C@H]1C	2037191013	REALTGRGDBAKCV-HWMZRRJGSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC2CCC=CCC2)CC1	2037208153	QHSHCSIGXYZXMV-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CC[C@](N)([C@H]2CCC3(CCCC3)C2)[C@H](C)C1	2037585022	OTYLLYKGTMTBQJ-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C2(CN)CC3(CCCCC3)C2)C1	2037691407	QADVFZBBJIZZPZ-AWEZNQCLSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NC[C@@H]1CCC=CCCC1	2045326023	KCJLCSMQQWNBLK-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@H]1CC(C)=C[C@@H](C)C1	2045689323	DUSSEDDPBQMEHF-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@H]1CC12CCCCC2	2047007127	GCXAPJZUONVFGY-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC1=CCCCC1)C[C@H]1CC12CCCCC2	2047012337	NQMWTHJIHJBOAC-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048447622	YRAPBFVVVORVNS-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049857091	PNEZJOUJKJIARR-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@H]2CCCC3(CC3)C2)C1	2049953018	BIUBLTGVFLYDDG-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@H]1CCC[C@H](C)C1	2050450977	RVNNFRSUIVVURG-ZFWWWQNUSA-N	244.378	4.784	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@@H](N)CC1CCC=CCC1	2056449706	JLRKQNAAIUKVDO-BBWFWOEESA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)C2(C)CCCCCC2)CC1	2061088067	KHSDLHKGUBGTSS-HOCLYGCPSA-N	249.442	4.811	0	10	BJAE	
CC/C=C\CN[C@H]1CCCC[C@@H]1C1CCCCC1	2061651632	ZUIMIKJVLLQDTA-BEUBFNLSSA-N	249.442	4.681	0	10	BJAE	
CCNCC(CC)(CC)CC1CC(=C2CCC2)C1	2061741951	RYHOBEXJFITJAQ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C[C@@H](N[C@H]1CCCCCC12CC2)C1CCCCC1	2062017430	OOHBXLFZXWBXHF-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(N)CCCCCC23CC3)C1	2062020818	PZYLJKJUBAVLNC-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2C[C@@H](N)CC3(CCC3)C2)C1	2063642282	POFFATGOQSHENU-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCCC1(C)CCCCC1)C1CC2(CC2)C1	2064490007	VSVZNIYYDFUNPF-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H](C)C1CC2(CC2)C1)C1CCCCC1	2064504005	YRXPOUYSWDFJJI-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC12CCC(CC1)CC2	2065256678	CXTUYFOSYPZOBR-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc([C@](O)(CC)C[C@H](C)C(C)C)cc1	2068817525	GOBOMDUWPURPEX-YOEHRIQHSA-N	248.410	4.529	0	10	BJAE	
CCCc1ccccc1[C@@H](C[C@H](C)C(C)C)NC	2068842304	PETQZQYLKIYJMZ-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@H]2CC23CCC3)CC1	2069172679	SRAWABKWXARBNH-HOCLYGCPSA-N	249.442	4.502	0	10	BJAE	
CCCC1([C@H](NCC)c2cc(C)oc2C)CCC1	2069337376	KQZVMIUEBPISNP-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@]12CCC[C@H]1C2	2070919836	ZBLJXGNUAHBVAF-DOTOQJQBSA-N	244.378	4.687	0	10	BJAE	
Cc1ccc([C@H](N)CC2(C(C)(C)C)CCC2)cc1	2071942799	HOLGBXBQCDEPRN-OAHLLOKOSA-N	245.410	4.601	0	10	BJAE	
CC(C)c1ccc(NC[C@@]23CCCC[C@H]2C3)cc1	2074047007	NRWCRXSJCXQASL-RDJZCZTQSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CCNC3(CCCC3)C2)C1	2074138857	NAVAERRAGWENGB-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CCC1)[C@@]12CCCC[C@@H]1CCC2	2075851292	CESJTHZUBWCPQC-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCCCCN(C)CCC=Cc1ccccc1	2075946789	XIQKRBDHNHGBDC-UHFFFAOYSA-N	245.410	4.602	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1ccc(C)c(C)c1	2077188608	YWQDSMSPTMIUIE-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CC(C)(C)C1CCC([C@]2(N)CCC3(CC3)C2)CC1	2078348823	VYAZTYQTOOBZAO-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCCC1)[C@H]1C[C@@H]1CC	2079222090	VPQVOMUDZMDAPT-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
C1CCC(CN[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079533707	ZQWYFEWQQDVYAJ-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](CC1=CCCCC1)NCC	2079632551	IFCHOAVBPVJMCL-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1C[C@H]1CN1CCCCC12CCCCC2	2079891854	WLVFLJPPRMPYNJ-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC1CC(C2CC2)C1	2081781148	SDKKFBMXFJWNAB-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@H]2CC[C@H](C)C2)c1	2082957775	OFJKYDQCNFMBLK-NHYWBVRUSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2083019164	ZWKAMWBPTPNKDK-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CCC1(C=C2CCCNC23CCCCC3)CCC1	2083808666	GYIJQAYCWRTRJX-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
Nc1ccc(C=Cc2ccc3ccccc3c2)cc1	2112035852	VEQSUEQQKMVNMT-UHFFFAOYSA-N	245.325	4.592	0	10	BJAE	
C[C@](O)(CCCCC1CC1)CC1CCCCC1	2214573301	LLABYIGUAPAHKH-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C1CCC(F)(F)CC1)n1ccc(C)c1	2214626535	OCKXBHYBZUHOFK-ZDUSSCGKSA-N	241.325	4.573	0	10	BJAE	
CC[C@H]1C[C@H]1CCNCCCCCCC(C)C	2215313552	SZOJNGXUDCEJFT-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCCCCC1(CN[C@H](C)CC)CC(C)(C)C1	2217157749	VLZKGXKALLFZME-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC1CC(C)(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218377739	JSSKLZLYEMZQOS-PRMLZIFMSA-N	248.410	4.598	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218379166	AHFLKFWYLFMFTG-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CCCC1)NCC1(C)CC2(CCC2)C1	2220939627	QKTBVSVJYCGWQS-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]1CC[C@H](N)c1ccc(C(C)C)cc1	2220964138	VMIPEWLXEMCZDN-JQFCIGGWSA-N	245.410	4.636	0	10	BJAE	
CCC1(CC)CC(NC[C@]2(C)CC=C(C)CC2)C1	2221638198	OIMCCUWESKORLZ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@](C)(O)c1c(C)cc(C)cc1C	2222004674	VFMGUUGGVRILBR-KRWDZBQOSA-N	248.410	4.790	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@H](C(C)(C)C)C1)c1ccoc1	2222268073	SAWRZQFDUMKVBL-AEGPPILISA-N	249.398	4.535	0	10	BJAE	
C1CCC(C[C@H](CNC2CCC2)C2CCC2)CC1	2223549331	SLQZLJSXUVPKCA-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)c1ccc2occc2c1	2224129886	BJCWUJPPNKSCJF-MLGOLLRUSA-N	245.366	4.505	0	10	BJAE	
CCCCCCSCc1csc(Cl)n1	2242464363	DFSBWOAFNGSPBK-UHFFFAOYSA-N	249.832	4.610	0	10	BJAE	
CCCC[C@H](CC[C@H]1CCCC12CC2)NCC	2247621554	ZQQLYUSXWYKYFB-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCNC[C@@H](C)CCC[C@@H](C)CCCC(C)C	2250468937	JOFPHUZIJIXGPQ-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC=C[C@H]1N	2250480492	GLLFJCXDAIOCKN-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@@]12CCCC[C@@H]1CC2	2251213670	ZNRDFADEDFXMBO-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC1CC(CC(C)(C)C)C1)NC	2251490527	BLMXQZVAQBCPHU-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H]1[C@H](O)C(C)(C)CCC1(C)C	2251708496	RDTIJMCXTPOLGE-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
CC1CC(CCC(=O)C[C@H](C)CC(C)(C)C)C1	2251761536	RVGAHUDQYFEMCP-MOKVOYLWSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](c1ccc2ccsc2c1)C(C)(C)C	2253067824	MMLRNURBFQZQCL-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)c1ccc2ccsc2c1	2253090050	QROCXFHEEKOHHG-ZWNOBZJWSA-N	244.359	4.520	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCCCC23CC3)cc1	2253780816	IPTPLQXEOUQOOX-OAHLLOKOSA-N	242.362	4.538	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)CC23CCCCC3)C1	2253972734	XLNGCGFVFORVEQ-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@]1(N)CC1CC2(CCCC2)C1	2254111464	YCMRRVUFNQHFBH-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CCCC[C@@H]1C[C@@H]1C	2254607408	IEZXGGAWDQKOCF-XHSDSOJGSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN1CCCCC12CCCC2	2254608187	KACVAVXSRXISLT-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
C[C@](N)(CC[C@@H]1CCCC12CC2)CC1CCCC1	2255328425	FYJNLCANXUGEGT-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(F)c1NCCCC[C@@H]1C[C@@H]1C	2256112158	YAJWUKKNQZGDAW-GXTWGEPZSA-N	249.373	4.626	0	10	BJAE	
CCC1(CC)CC(Nc2cc(C)c(C)c(C)c2)C1	2258233333	MFFBDQMXZCGBBJ-UHFFFAOYSA-N	245.410	4.993	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)c1cccc(C(C)C)c1	2259431208	OYBKKYXHGSITRI-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
CCCCN(C[C@]12CCCC[C@@H]1CC2)C1CCC1	2260564627	HIVBHGIKFCZQJY-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@]12CCCC[C@H]1CC2	2260677410	FOPFODZVSLUXSG-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H]2CCNc3ccc(F)cc32)C1	2261340099	UNISMUZBYWESJR-MBNYWOFBSA-N	247.357	4.551	0	10	BJAE	
Clc1ccc(C2CC2)cc1NCCC1CCC1	2300674678	XJWMHCIWUVUXMA-UHFFFAOYSA-N	249.785	4.820	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@@H](CC)CC(C)C	2300686068	MCNAFENXCPZNEW-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC[C@@H](CNC1CCC1)C(C)C	2300687613	DTOUVAHIPHMOPF-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CCC(CC)CC)C1	2300688866	RHOCKDSFLPRMRI-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(SCC2CCCCCC2)c(N)c1	2301246606	ICIUTGFDKUYKOQ-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)CCCCC[C@@H]1C[C@@H]1C	2301916342	BOVDUIFBLKPRJR-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCCC(=O)CCC[C@@H]1C[C@H]1C	2302608769	BDWGCEQSQBHFMV-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H]1CCC(C)(C)C1)NC	2302718993	FJFBDBCQBPYIPE-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CO)C[C@H]1CCC(C)(C)C1	2302722670	OWAONRJXGGEADS-HOCLYGCPSA-N	240.431	4.782	0	10	BJAE	
CCCC[C@](N)(CC)CC[C@H]1CC[C@@H]1C1CC1	2303160581	VWHHUXSVKCKMIH-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@@H]1CC[C@@H]1C(C)(C)C	2303445654	SGQLQSMYRKHNQM-FQUUOJAGSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303503950	QLTDARPZMFFTJI-ZQDZILKHSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@](CO)([C@H](C)CCC(C)C)CC1	2303584832	SKSUBVCWCRACKU-HZPDHXFCSA-N	238.415	4.558	0	10	BJAE	
CCC(CC)[C@@H](C)NC[C@@H]1CCC(C)=C(C)C1	2303598051	XVBLMUHGJXWZQQ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C1=C(CCc2cccc(C3CCC3)c2)CCC1	2303765453	XUDKRCGTUNJGCT-UHFFFAOYSA-N	226.363	4.997	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC[C@@H]2CCC(C)(C)C2)C1	2304435417	OGDQVNJJNYQKBM-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)CC1(CN)CCC2(CC2)CC1	2307823694	PIJNACIJOFVIEN-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C[C@@H](C)CC(C)(C)C	2307896204	YQSPZMDOMSEKNS-ILXRZTDVSA-N	241.463	4.993	0	10	BJAE	
O=C(C1CCCCCC1)C(CC1CC1)CC1CC1	2313704364	KLTKDBIPRVAPEK-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCc1cc([C@H](O)[C@@H](CC)CC(C)C)ccc1C	2314698532	ZWXZZYKJJIDWDX-DOTOQJQBSA-N	248.410	4.663	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC=C(C)C2CC2)CC1	2315265239	VTKRULBKYPRMPS-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316753112	UYMVAMDQPMVQMR-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc([C@H](O)CCC2CCCCCC2)c1	2316870509	RDRIPBYQCXGXBD-QGZVFWFLSA-N	246.394	4.779	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2317001557	ARCUVRJVHHWCOJ-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@@H](C)[C@@H](C)C(C)C)N2	2317949941	DJTMQNNLZCTBDJ-OFQRWUPVSA-N	245.410	4.650	0	10	BJAE	
CN[C@H](CCCCC1CC1)CC[C@@]12CCC[C@@H]1C2	2318876969	KLVZFTBQPQZEHQ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C=C[C@H]2CCCC[C@H]2N)CC1	2319203957	MJYRUWAFXXSBGX-BHUNQDJPSA-N	249.442	4.667	0	10	BJAE	
CCC1(CC)CC(N)(CC[C@@H]2CC[C@H]2C2CC2)C1	2319748118	GXBOJXYXOPXTFV-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)CC[C@]12CCC[C@H]1C2	2320151645	PDYSCASDKWJAJP-ZJOBFFGXSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC=C[C@](N)(C[C@@H]2CC[C@H]2C(C)(C)C)C1	2320259501	VJRKLRRIVYPGAV-VBQJREDUSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@H]3CCC[C@H]32)CC1	2320398410	RAPJIPOCZPJZNZ-KLHDSHLOSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CC(C)(C)C[C@@H]2C)CC1	2320412019	HENWCTIIVHICEZ-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
Fc1ccc2ccn([C@H](CC3CC3)C3CC3)c2c1	2320812756	OADOWHAEKKPIJU-OAHLLOKOSA-N	243.325	4.532	0	10	BJAE	
CCCCCCc1ccc([C@H](O)C2(C)CC2)cc1	2327901176	YOTIRBLYKXRNKN-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CCCCCCN[C@@H](CCC)c1ccccc1	20002251	GOWBAVXAXAEJKR-INIZCTEOSA-N	233.399	4.698	0	10	BJAE	
CCCCC[C@@H](N[C@H](C)C(C)C)c1ccccc1	37249768	XJIHASUNOVTELG-NVXWUHKLSA-N	247.426	4.942	0	10	BJAE	
Cc1cc(F)ccc1NC1CCC(C)(C)CC1	79619968	BSGVKDBVIVLLRB-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1	85086591	HOHJLPOXPBAOLL-JKIFEVAISA-N	245.410	4.876	0	10	BJAE	
CCCCCC[C@@H](CNC(C)C)c1ccccc1	88098223	NJIUVVFUFWYWRU-KRWDZBQOSA-N	247.426	4.739	0	10	BJAE	
CC(=O)CC[C@H](C)c1ccc(C)c(C(C)(C)C)c1	107635874	FDMFIDJUNRYAKC-LBPRGKRZSA-N	246.394	4.765	0	10	BJAE	
CCC[C@H](C)CC1(CNC(C)C)CCCCC1	110200459	ZJLFQHWPMZIFHW-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)C2CCCCCC2)o1	149837562	LUMAUWQGPKGKDA-UONOGXRCSA-N	249.398	4.598	0	10	BJAE	
CCC[C@](O)(CC(CC)CC)c1ccccc1	167610511	NUWLFELNKLJRQV-INIZCTEOSA-N	234.383	4.501	0	10	BJAE	
CCN(Cc1ccc(C(C)(C)C)cc1)C(C)(C)C	204823388	KNKORRORUSTHED-UHFFFAOYSA-N	247.426	4.605	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1c(C)cc(C)cc1C	211793739	ORPDSZRVNHBTRI-QGZVFWFLSA-N	247.426	4.828	0	10	BJAE	
CCCCCCNCc1cc2ccccc2s1	215892777	HEWWMRUJDRPBOY-UHFFFAOYSA-N	247.407	4.571	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H](C)C1)c1ccc(C)cc1	216328234	DHANXGYPWPGRLF-PVAVHDDUSA-N	245.410	4.614	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H]2CCC[C@@H](C)C2)cc1	217910699	IWSOOAZQXIADEN-XYPHTWIQSA-N	246.394	4.670	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H]([C@H]2CCC[C@@H](CC)C2)C1	222372027	ZXCOMPIFBDSGSY-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCC[C@@H](C)CC1	224953681	CSXQNAWKJLNLCD-YPMHNXCESA-N	235.346	4.515	0	10	BJAE	
Cc1ccccc1[C@H](C)NCC(C(C)C)C(C)C	229524172	DXIOPYODJSFKCD-HNNXBMFYSA-N	247.426	4.574	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC23CCCCC3)c1C	230162508	FZCAWCOITMSFOW-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CC(C)=C[C@@H](C)C1	232951352	IUYVSRFAWMPYTE-VNQPRFMTSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC1(CC)CCCC1	233903986	XFXZKZZRVMHDLY-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@]1(C)N=N[C@@](C)(C(C)(C)C)S1	248205007	ZITVEDITYNAJFA-VXGBXAGGSA-N	228.405	4.710	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1	251722557	RYLVUFWWOUXZFY-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)C[C@H](O)c1ccc([C@H](C)CC)cc1	253248564	ULODOUBQGREEQL-ZENOOKHLSA-N	234.383	4.670	0	10	BJAE	
CCC(F)(F)c1ccc(Oc2ccccc2)cc1	259051745	VHTCXCZCCMGVGZ-UHFFFAOYSA-N	248.272	4.981	0	10	BJAE	
CCC[C@@H]1C[C@@H]1N[C@@H](CC(C)C)c1ccccc1	300584524	NBEQUUFTMROCCP-IKGGRYGDSA-N	245.410	4.552	0	10	BJAE	
O[C@@H](CCC1CCCCC1)CCC1CCCC1	302271446	RLWVLPNBUVWFPL-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@@H](C)CC(C)C)CC1	302374889	OYBISABDLULOOH-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](C)(CNC(C)C)C(C)C	302379776	PMEMTJHWLOVPKZ-CVEARBPZSA-N	241.463	4.719	0	10	BJAE	
C[C@H](C(=O)CCCC(C)(C)C)c1ccccc1	304147530	MXXRCLKHAIKCBU-ZDUSSCGKSA-N	232.367	4.576	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CCCC[C@@H]1C(C)C	305919228	HKCBJBBBCXFFSR-ARFHVFGLSA-N	240.431	4.636	0	10	BJAE	
CCc1cccc2sc(Cl)c(Cl)c12	307104967	IHRJZBZVNVOFOV-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)[C@H](CC)CC(C)C)C1	308031162	OPHFHIZJMFWDRE-LVQVYYBASA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)c1ccsc1C	308035255	SHXZXWZSENRQPE-TZMCWYRMSA-N	240.412	4.552	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)[C@H]1CCCC[C@H]1CC	308055761	BZMWGEVJMXWLMQ-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CC2(CC)CCC2)C1	310111203	FPGMVQUWYIHRPK-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C)[C@@H](C)CC1CCC(C)(C)CC1	310174560	UWBMJIGNYDXOIQ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](N[C@H]1C=CCCCCC1)c1ccccc1	310613067	DGNLHSHUZZUFEA-DLBZAZTESA-N	243.394	4.616	0	10	BJAE	
CCc1ccccc1C(=O)C[C@@H]1CCC[C@H](C)C1	310726599	ACLVPPCHKABMDV-UONOGXRCSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H](C)c2ccccc2)C1	310805673	YKFSDDXWXUDZKX-KFWWJZLASA-N	244.378	4.576	0	10	BJAE	
CCNC[C@@]1(CCCC(C)C)CCCC[C@@H]1C	317381780	HLUZLFHNCBXGRG-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCCNCC(C)(C)CC/C=C\c1ccccc1	317427406	VVVSNVNDEUFLJC-WQLSENKSSA-N	245.410	4.506	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC/C=C\c1ccccc1	324242850	GXQQYXLVUUTMMZ-MRDWYFFCSA-N	245.410	4.634	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)cc1Cl)C1CCC1	382095117	MOJQADIWPZBQDN-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
c1ccc(-c2nc3c(s2)C2CCC3CC2)cc1	382129892	NWZQLQIOVONJRZ-UHFFFAOYSA-N	241.359	4.565	0	10	BJAE	
CCN[C@@H](CC1CCC(C)(C)CC1)c1ccoc1	385191156	ONWZUCOUVWYZQK-HNNXBMFYSA-N	249.398	4.537	0	10	BJAE	
Cc1cccc(F)c1N[C@@H](CCC(C)C)C1CC1	385466492	DMPLNGRFYWVAHC-HNNXBMFYSA-N	249.373	4.761	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@H]1C[C@@H]1CC(C)C	387815101	KYGWHMBGTAHOCL-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CN[C@@H](C)C2CCCCC2)CCC1	391828729	ZBYBSFCQIOEYIM-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC1(CC(=O)[C@H]2CC[C@H](CC)CC2)CCC1	392851312	DKKUEYJPRIJQOC-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
C/C(=C\CCNC(C)C)C[C@@H](C)c1ccccc1	395002082	GDDUPZNLHPNANR-HTRKUNOGSA-N	245.410	4.515	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@@H](C)C1CC1	395055908	DQGUMVMASJHPDD-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@@H](C)CC(C)C	395515787	WWIHUQKPASCXCN-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
Cc1csc2cc(C(F)(F)F)cc(C)c12	396192770	FUVKKBFHMCQQIC-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CC(C)(C)c1ccccc1[C@H](N)CCC1CCC1	398732363	WCGVCSCUXDNDIN-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
C[C@@H]([C@@H](O)c1csc2ccccc12)C(C)(C)C	399156594	KXYXBVMGXNLMKV-IINYFYTJSA-N	248.391	4.617	0	10	BJAE	
C[C@H]([C@@H](O)c1csc2ccccc12)C(C)(C)C	399156596	KXYXBVMGXNLMKV-QMTHXVAHSA-N	248.391	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1/C=C(/CNC1CC1)C(C)C	401740325	IVFXUEUFNGTQHY-RKUWFUAISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CC[C@@H](CC)C1	402167016	SAPXTOZLKWVRSU-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1c2ccc(F)cc2C(C)(C)C1(C)C	575328861	IUNLZSVYCROJOI-LBPRGKRZSA-N	220.331	4.637	0	10	BJAE	
CCCC1(CNc2ccc(CC)cc2)CCC1	687524152	YQQNXZBTRYQRLQ-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
Cc1c(Cl)cc(NC2CC(C)C2)cc1Cl	690294075	GDSUXZIJOSGNFO-UHFFFAOYSA-N	244.165	4.512	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)C1CC2(CCC2)C1	691881639	YJVXLEGOXODMIZ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
FC1(F)CCC[C@@H](CCC2CC=CC2)C1	692101511	CPAJGECVMBBUIZ-LBPRGKRZSA-N	214.299	4.558	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)C(C)(C)CC	695101651	WEJYDKRRTXOYDC-ZIAGYGMSSA-N	227.436	4.760	0	10	BJAE	
CCC[C@H](NC[C@H]1CCCC2(CC2)C1)C1CCC1	695716995	NNNKJGPUJDYTSF-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCC(=O)C(C)(C)C(C)(C)C	696665708	SOSBUUDOCYKARV-UHFFFAOYSA-N	226.404	4.844	0	10	BJAE	
CC(C)=CCCNc1cccc2ccsc12	697766338	MFQOEGPISGRZBO-UHFFFAOYSA-N	231.364	4.670	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc(C(F)F)cc1	701260769	CMLVPVIATLUGFO-UHFFFAOYSA-N	240.293	4.633	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCCC23CCCC3)C1	704448024	UTUNBMBBAQAODW-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@H]1CCCC[C@H]1C	704850054	GMHFIKPPEWNTLW-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC[C@@](N)(CCCC(C)(C)C)C1CCCC1	704904328	VDKVZUQSNRDVSO-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@](C)(N)CC1CCC(C)(C)CC1	704955596	HIASYXXIYMNCFS-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC1(N[C@H](C)[C@@]23CCCC[C@H]2C3)CCCCC1	709249360	RWGTZSCFJHZJRN-VYDXJSESSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@H](C)C(C)(C)C	710826889	FNKAOUVWYDAMKO-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CCc1ccccc1[C@@H](O)C[C@@H](CC)C(C)(C)C	711088774	VUCXJQOLUBCSIC-ZBFHGGJFSA-N	248.410	4.745	0	10	BJAE	
CCC[C@@H](CNC(C)(C)C)CC(C)(C)C(C)C	713223198	SKYCVAGLENOANC-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)[C@@H](C)CC(C)(C)C	713679464	RUCCNTVTUJFLOM-CWCINCBISA-N	237.431	4.559	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@@H](C)CCCC	713683492	LDXPSMADEFNURM-OZVGAOPWSA-N	237.431	4.703	0	10	BJAE	
CC(C)CCCCN[C@@H]1CC(C)(C)CC[C@@H]1C	717513734	VCYCMSQZFHOXMP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C[C@H]2CCC(C)(C)CC2=O)CC1	717536089	VWNJKARYNFVZQY-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(O)CCCCCC1(C)C	719270581	STFSMFTYLTZJMC-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CC[C@@H]2CCCC[C@H]2C1	723648553	VNAZDMLVHIEAQZ-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
C1CCC([C@H](NCCCCC2CC2)C2CC2)CC1	724007630	JQSLYHUOKCUUNY-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(Cl)cc1OC1CCCCC1	725380590	VKFAUHWTWDKCPO-UHFFFAOYSA-N	238.758	4.614	0	10	BJAE	
CC(C)c1cc(F)cc(OC2CCCCC2)c1	725440873	WQHRNCSQMBKUKQ-UHFFFAOYSA-N	236.330	4.661	0	10	BJAE	
C[C@H]1C[C@H](Nc2ccc(C3CC3)cc2)CC[C@H]1C	821905868	JIWCWFYJEIGHRQ-IIYDPXPESA-N	243.394	4.801	0	10	BJAE	
C=C/C=C/CCN(c1ccc(Cl)cc1)C(C)C	1191880970	GWAKFJUEFIYTNB-AATRIKPKSA-N	249.785	4.687	0	10	BJAE	
CCC[C@@H](NCc1cc(C)cc(C)c1)C(C)(C)C	1194425254	BXJNSWBAQDGFGG-MRXNPFEDSA-N	247.426	4.608	0	10	BJAE	
CCC(C)(C)CCNC[C@H]1CCCC(C)(C)C1	1308486304	OVWJUENUAFOVRF-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(N(C)C[C@@H](C)CC(C)(C)C)c(C)c1	1559489754	DOKBAAGPRMJDSN-AWEZNQCLSA-N	247.426	4.812	0	10	BJAE	
CCN[C@H](CCC=C(C)CC)c1cccs1	1900890129	NYIMDJKHKCNQQS-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
CCC1CCC(c2c(F)ccnc2Cl)CC1	1903369419	GEVLMCAIVPZXSK-UHFFFAOYSA-N	241.737	4.558	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](N)CC1CCCC1	1905454729	UWBVYONSVKVYHR-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H]1CCCCCCC[C@H]1O	1908564298	LPBYQMBCMVNSCU-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2C[C@H]2C(C)C)c1	1910727736	QWEZOGITHMJIKI-HOCLYGCPSA-N	231.383	4.514	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@H](CC)CCCC	1912130975	ZBMSFMUMGRQRPU-HZPDHXFCSA-N	237.431	4.703	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNC2CC3(CCCC3)C2)C1	1912729218	HRDLOXCPBJXQBS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(CCCC(C)(C)C)C=CCC1	1916376998	VUNNFFQGYSYJJF-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CCC1CCCC1	1919945248	BRJVEDVSUBCJLE-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2C=CCCCC2)CC1(C)C	1925757425	NCFOXGSOHMWQOU-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C[C@@H]1C=CCCCC1	1925892323	SCWJACDTWZCBBS-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN[C@H]1CC(C)(C)CC[C@@H]1C	1926201571	VEAVDVOJOLUUAM-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCNc1ccc2c(c1)CCCC2	1926202564	GXFHHWDGNYDCOJ-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CC(=C(F)F)c1ccc2c(c1)Cc1ccccc1-2	1927579725	VIZVYQBFXJSIQL-UHFFFAOYSA-N	242.268	4.885	0	10	BJAE	
CCCc1ccccc1CCC1CC=CC1	1935973679	RCXWFCMYCXFRCF-UHFFFAOYSA-N	214.352	4.538	0	10	BJAE	
CCC[C@](O)([C@H](C)CCC(C)C)C(C)(C)C	1937160855	ABYKGTZOMSBKGD-HIFRSBDPSA-N	228.420	4.636	0	10	BJAE	
CCC[C@@](N)([C@H](C)CCC(C)C)C(C)(C)C	1937170353	UXDFSOKHAJFLPN-UKRRQHHQSA-N	227.436	4.602	0	10	BJAE	
CC1(C)CCC[C@@](O)(CCCC2(C)CC2)CC1	1940870899	XYACEUHMVANWBM-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)[C@@H](C)CC(C)(C)C	1940873677	CQPIPCCVIBSLNV-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@](C)(O)C1CCC(C(C)(C)C)CC1	1941144975	TVLKLMMHOUQDBM-XUJLQICISA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CCC[C@H](C(C)C)C1	1941356991	CQSMDIJTMNYYTQ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)cc1NCCCCCC1CC1	1941578201	XXSIAXWSHVDVCV-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCCC[C@H](CCC)NCC1CCC=CCC1	1941818338	PFRRCFBKVOLMND-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NC)[C@@H](C)CCC(C)C	1942658058	OSWAZKXODONZHT-XHSDSOJGSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@H](C)C1CC1	1944518848	YSFYRNJKUPXFTA-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C(C)(C)C(C)C	1944672010	LTDKJLUWVNNJRF-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC([C@@H](N)CCCC(C)(C)C)C[C@@H](C)C1	1948978937	AAFBDMMEXRZMBD-YDHLFZDLSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@]1(N)CCC2(CCCCC2)C1	1949022160	DZEPXZKOBBKLDU-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCCC[C@@](C)(N)c1cccc2sccc12	1949071714	XHBPDFFPSGHOCN-OAHLLOKOSA-N	247.407	4.656	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1CCC2(CC2)C1	1950241698	GZQUWMVVMDONFE-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(NC2CC3(CCC(C)CC3)C2)cs1	1950544500	VTBUNJGTLUWTSF-UHFFFAOYSA-N	249.423	4.827	0	10	BJAE	
CNC[C@]1(CCCC(C)C)CCC[C@@H](C)CC1	1950928715	AKNYRLHPOLYNIE-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2(C)CCCC2)CC1	1950930198	NFIARUJWOJIMLU-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC=CC[C@H](C)c1cc(C)c(OC)cc1C	1951309050	TXJFSBNIINYXQG-LBPRGKRZSA-N	232.367	4.772	0	10	BJAE	
FC(F)c1cc(C[C@H]2C=CCCC2)cs1	1959989670	SUERMTZRMAFDPV-VIFPVBQESA-N	228.307	4.585	0	10	BJAE	
CCC[C@H](C)CN(C)C[C@H](C)C1CCCCC1	1964258284	HMCPTGGMYMXSQQ-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCN(CC1CCC=CCC1)c1ccccc1C	1966134391	GSVSKNCKYGJZKP-UHFFFAOYSA-N	243.394	4.568	0	10	BJAE	
C[C@H]1C[C@@H](N[C@@H]2CCCCC23CCC3)CC[C@H]1C	1967700190	VLOLOAOBMWJNNL-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(NC2C[C@H]3[C@H](C2)C3(C)C)c1	1968408033	LXNCAJFOMAOKHD-HOTGVXAUSA-N	243.394	4.657	0	10	BJAE	
CCN(Cc1csc2ccccc12)C(C)(C)C	1968586954	CBXHVYSBKNDUAR-UHFFFAOYSA-N	247.407	4.522	0	10	BJAE	
CC1(CN2CCCCCCCC2)CCCCC1	1968643939	BNPIKWRZUKZDNI-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
CCC1CCC(CN2CCCC23CCCC3)CC1	1971986119	SJGDOMSVFXBFDB-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@@H]1CCCC2(CC2)C1	1972153110	AZLVBUMGHIIWMI-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](N[C@@H]1CCCCC12CC2)C1CC1	1972745203	RZGHHFIREFTJCG-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H](NC2CC3(CCCC3)C2)CC(C)(C)C1	1972916892	LVZHKJGUGKBJKV-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CCC/C=C/CNc1ccc2sccc2c1	1975484559	DKHJFUOJASXWOF-SNAWJCMRSA-N	231.364	4.670	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCCC1=O)C(C)(C)C	1980350228	DXNKYMKRPCQXTP-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@](N)(CCCC(C)(C)C)CCC(C)C	1986939182	RMPIIBISSSLNSH-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1ccsc1C	1995213466	CLCXURQQFFDRDV-NSHDSACASA-N	238.396	4.846	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1cscc1C	1995265240	YKSDAPPZXGUBSS-RISCZKNCSA-N	239.428	4.663	0	10	BJAE	
C[C@@H](C[C@@](C)(O)CCC1CC1)C1CCCCC1	1996370549	YSWFXLDCIRMLDC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1Nc1ccccc1SC1CC1	1996548013	IPMICNHBIKNIHX-AWEZNQCLSA-N	247.407	4.542	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@H](CC)C1CCCCC1	1996595213	UBDBFTZICIINTH-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)c1csc2ccccc12	1996602868	MBJXOADMTAZMRY-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CCCCCc1ccc2nc(Cl)c(C)cc2c1	1997768744	WILGEYDMGUABAN-UHFFFAOYSA-N	247.769	4.929	0	10	BJAE	
CCC(C)(C)C1(N)CCC2(CCCCC2)CC1	2000270642	VECXFMMINUVNQK-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC1([C@@H](C[C@@H](C)C(C)(C)C)NC)CCC1	2000323465	XYVXEYKWHUGTMF-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1CC12CCCCC2	2001259494	OFKWJAGNGGWDMN-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@@]1(C)CC=CCC1)CC(C)(C)C	2001655364	XFSGIGZOMCDBNI-LZWOXQAQSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002218067	CCHXDAVZCJSWIG-ZSHCYNCHSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(CN)CCCC(C)(C)C1	2002973005	BPDAURPXDGIWDA-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@H]2CCC[C@H](C)C2)c1	2002998343	KNFNZSHWXAPQIX-CFVMTHIKSA-N	231.383	4.622	0	10	BJAE	
CC(C)[C@@]1(C)C[C@H]1NC1CCCCCCCC1	2003096941	BMWQEMVXQGGSQC-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@]1(C)C=CCC1	2003328640	FOPVDQAGMIRVAS-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC(C)=CC[C@]1(O)CCCC2(CCCCC2)C1	2004224942	ALQGBAYJCALDMY-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)CCC1CCCC1	2007621369	CFGONRRHGAEJMD-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)C1(C)CCC(C)(C)CC1	2007698399	SQKBYAIVZGZDRN-IHRRRGAJSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc([C@@H](N)C=C2CCCCC2)cc1Cl	2007938317	WUQZZAZFHOISDO-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)CC[C@H]1CC(C)(C)CC	2009420029	MNUWUJNLNYMOGZ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCC(=O)c1cc2c(s1)CCCC2	2009568270	ATIGCLRGMOAXFU-UHFFFAOYSA-N	248.391	4.556	0	10	BJAE	
CC=CCCCC(=O)C1CCC(CCC)CC1	2009571884	KYORMCNMYLBZCM-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
C/C=C/CCCc1ccc(F)cc1C(F)(F)F	2009593399	PLCAIBNUVQDNQQ-NSCUHMNNSA-N	246.247	4.743	0	10	BJAE	
CC=CCCC[C@H](NC)C1CCCCCCC1	2009593464	BEPTWSRUMAHUTO-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@H](O)C1(C)CCC(C)(C)CC1	2009593540	QNFNGFMSSFXELH-AWEZNQCLSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(N)CCCCCC12CC2	2011274324	JOZSNOBOUBHCKC-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@](CC)(C(=O)O)C(C)C	2012420961	HFFBYQCHFBIBBV-ZFWWWQNUSA-N	242.403	4.730	0	10	BJAE	
CCCC1(C[C@]2(O)CCCCC[C@H]2C)CCC1	2015636518	YWSKDGIMCHLNDG-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](CN[C@H](C)CC1=CCCCC1)C(C)C	2016107839	ZJNOOOBNRPTNSA-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CC1(C(C)C)CCC1	2017144912	XKZTZIWZBZJGCD-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@](C)(CNC)CC1(C(C)C)CCC1	2017145011	GJLPMGAWLXERJR-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC1(C(C)C)CCC1)C(CC)CC	2017149588	BSCJCOLEDYRLAR-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C[C@H]1CC[C@H](CCC)CC1)NCC	2017722398	FTIIMSILTVCUEB-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CCC1=CCCCC1	2019343373	ZJEOGGNAIDNJBD-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CC1(C)CC(Nc2ccccc2C2CCC2)C1	2021027421	ZFCWDKASZUVVAJ-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@H]1C[C@@H]1C(C)(C)C	2022452618	YKWKXCDFJXCVBF-YCPHGPKFSA-N	238.415	4.556	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CCC(C)(C)C1CC1	2023322703	PQQFWJJQGOYMBF-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CCC[C@H]1CCCC(C)(C)C1)NC	2024091067	FCYABGUSDUZDNT-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)C1CCCCCC1	2026141082	FCBMEZFLMICNCM-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CC(C)NC[C@@]1(C2CCCCC2)CC=CC[C@H]1C	2027921205	UPXUKTRJLXXNBU-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1ccc(C(C)(C)C)cc1	2028228824	CBFMHTSUEQEBLN-HZPDHXFCSA-N	248.410	4.700	0	10	BJAE	
CC(C)(C)NC[C@@H]1CC[C@@H]1CC1CCC=CCC1	2028875016	BOIYEAJNBPMQLM-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(=O)C1(C)CC(C)(C)C1)c1ccccc1	2029107310	ZHXASLGFGBCECJ-ZDUSSCGKSA-N	244.378	4.576	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1coc2ccccc12	2029836093	JDZQEHWWDAITBX-LRDDRELGSA-N	246.350	4.539	0	10	BJAE	
CC1(C)C[C@H](N[C@@H]2CCCC2(C)C)CC2(CC2)C1	2030289374	YBWJSIPKJKGGFY-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(CC(=O)[C@@]23CCCC[C@@H]2CCC3)C1	2031855586	QAGFQAYXENGVBS-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1CC=CC1)C(C)(C)C1CCCC1	2032300721	KIYGIHFZSBJGTL-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)CC(C)(C)C1CC1	2035587437	DOSKQVDGVIKDJF-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
C[C@](N)(C1=CCCCCCC1)[C@]12CCCC[C@H]1C2	2037073471	CGSVRIRUMDNIDJ-ULQDDVLXSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@H](N)c1ccc(C(C)(C)C)cc1	2037126296	ZCEZQJYNPPXDGA-WWGRRREGSA-N	247.426	4.666	0	10	BJAE	
CC(C)(C)C1CCC([C@]2(N)CCC23CCC3)CC1	2037474354	DXRFVPYJYWIBKY-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)[C@@H]2CCC3(CCCC3)C2)CCCCC1	2037680236	XIBHJLZRBNPVLV-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCNCC1([C@H]2CCC3(CCCC3)C2)CCCC1	2037705534	VJMTYDZMGGIXNC-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CC2CC3(CCC3)C2)C[C@H]1C	2037976710	NYFCUGHDVGPVJF-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@@H]2CCC3(CC3)C2)CC1	2038572586	QYUOAKJSLPSSAD-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C[C@H](N)[C@H]2CC23CCCCC3)CC1	2039079688	TXPGNJNWRINYDO-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CC1CCC(C)CC1	2039441052	JMSFORJJQLKGBD-DZLJFRASSA-N	249.442	4.523	0	10	BJAE	
CCC1CCC([C@@H](NC)[C@]2(C)CC=CCC2)CC1	2042026767	HLAPGFXUJBOULG-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@H]1C=CCCCC1	2042739062	UNAFZHOELOHEFY-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](NC1CCCCCCC1)C1CC2(CCC2)C1	2043546232	GURYCSBERSEQDU-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@@H]1CCC2(CC2)C1	2045307532	LLZXXWZQRRJXLY-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
C[C@H](C[C@@]1(CN)CCC12CCC2)C1CCCCC1	2047938387	GACOFHFWMNUHPU-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
C[C@@](N)(CC1[C@H]2CCCCC[C@H]12)C1CCCCC1	2049421960	OARIKSMAESCTLM-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@H]1CC12CCCCC2	2049699811	CZAPEGSELZXAOZ-GJZGRUSLSA-N	248.410	4.886	0	10	BJAE	
N[C@]1(C[C@H]2CCCC3(CC3)C2)CCC=CCCC1	2049847927	FPPHZZUAVZDVLI-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
Cc1ccccc1[C@H](O)CCC1CCC(C)CC1	2050442680	XUJIXDHIULAVAA-PUJMQQBBSA-N	246.394	4.635	0	10	BJAE	
CCC1(CC)CCC(N)([C@@H]2C[C@H]3CC[C@H]2C3)CC1	2051592394	APHWJCFJPYSVFA-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC[C@@H]2CC[C@H]21	2052285811	CUKINQNIGRFZQS-FRFSOERESA-N	243.394	4.630	0	10	BJAE	
CCc1cc(N[C@@H]2CCCCC23CC3)ccc1F	2053331563	JNGMDAMAUVJBOJ-OAHLLOKOSA-N	247.357	4.523	0	10	BJAE	
CC(C)=CC[C@@]1(CNC(C)(C)C)CCCC12CC2	2053355145	ICJMGMCFFZYNFL-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@H]1CCCCC12CC2	2053355221	IOVFBBMZDSCPRB-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
CCNC[C@]1(CC2(CC)CCC2)CCCC12CC2	2053362607	XGUYSBKMLAGSFK-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](C1CC=CC1)C1(C)CCC(C)CC1	2056559000	NLOYFMKJMHANMZ-ARWYELJZSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CC1CC(C2CCC2)C1	2056638777	AEXZDBWTPADQFQ-DXCHVLGVSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC2(N)CC(C3CCCCC3)C2)C1	2056638904	BFUNRPZLTPQFKQ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2CC(C3CCC3)C2)C1	2056669855	PKIUCDZIMOUFKX-UPNFEZNFSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C1(CCC)CC1	2056870751	NJUMFRCVWNHBHY-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC(C)C1CCC([C@@](C)(N)C=C2CCCC2)CC1	2056907038	ILHQVZJJMGYLBW-JCYILVPMSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCC1(C)CC1)[C@@]12CCCC[C@@H]1CCC2	2059172462	NOSKOBQKJVIAMD-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1CCC[C@@H]2C[C@@H]12)NCC	2059258639	ILBICBJZIKFBRN-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCC1([C@@H](N)C2=CC[C@@H](C(C)(C)C)CC2)CCC1	2061083325	BMCSNOITMGUCCT-CABCVRRESA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)CC2CCCCC2)CC1	2061087506	GIPAMLXYDKDZMA-NVXWUHKLSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@](N)(CCC(C)C)C2CC2)CC1	2061113587	PSLWGJFKBAVVMU-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CCC1(C)CC(CN[C@H]2CCCCCC23CC3)C1	2062016464	HCUNTRYFVLJAOL-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCNc1ccc(C2(C)CC2)cc1	2062641488	JOUWETGHERBEHL-UONOGXRCSA-N	243.394	4.586	0	10	BJAE	
CCC1CCC([C@H]2CC(=O)CC3(CCC3)C2)CC1	2063721602	SDJBFMCBLQYRDK-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC1CC1)CC12CCC(CC1)CC2	2065306912	ASXMPXHFKPRTLP-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CC12CCC(CC1)C2	2065340847	ZUPOUUMBKIVHMP-XGHPGWEVSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC1C[C@H]2CCC[C@H](C1)C2)C1(C)CCCC1	2067522158	VSCSNXSODKMABM-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@@]1(CC2CCC=CCC2)CCC1(C)C	2068240701	XIQWEFMCNDCILS-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@](C)(N)[C@@H]2CCC2(C)C)CC1	2068275812	JVYHCDQNODBFDV-UNEWFSDZSA-N	249.442	4.523	0	10	BJAE	
CC1CCC(C)(C(=O)CC2C[C@H]3CC[C@@H]3C2)CC1	2068706074	WNTSXVOYFQNMTG-QJKCGZJTSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@H](N)CC2(C(C)C)CCC2)c(C)c1	2071954682	XKQVKVPRMCPVOF-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CCc1ccc(NC[C@@]23CCCC[C@H]2C3)cc1C	2074048644	YGJCVFCESZOCPY-RDJZCZTQSA-N	243.394	4.550	0	10	BJAE	
CCCC1(Cn2ccnc2C2CCCCC2)CC1	2074569154	OOZPUSVSKJYEQE-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)c1cc(C)ccc1C	2074641411	JNYPMAYHYQXHNW-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CN([C@H]1CCCCCC12CC2)[C@H]1C=CCCCC1	2075401155	KHTNKUXHMFRZMM-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N(C)[C@@H]2C=CCCCC2)C1	2075404699	CJIAKKYLBZWVBT-WCXIOVBPSA-N	249.442	4.632	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@H]2C2CCC2)CCCCCC1	2079327105	DSVMKIMIMWIMOF-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1C[C@@H]1C1CCCCCC1	2079528867	KMFJIXCKLOJPNA-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1C[C@H]1c1ccccc1	2079551953	BJILXFIVGVPHBK-CVEARBPZSA-N	246.394	4.512	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CNc1ccc(C(C)(C)C)cc1	2079622107	ZJLFREVXRINXHY-BBRMVZONSA-N	245.410	4.688	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C1=C[C@H]2CC[C@H]1C2	2081679024	UIKADTVSFNMWDU-DZKIICNBSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1NC1[C@@H](C)CCC[C@@H]1C	2081946261	FSQZMDFXWNBMBO-RYUDHWBXSA-N	249.373	4.625	0	10	BJAE	
CC[C@@H](C)c1cc(C(=O)C(C)(C)CC)ccc1O	2082436536	PHWPGIPRSOMOTE-LLVKDONJSA-N	248.366	4.525	0	10	BJAE	
CCC1CC(C[C@@H](N)C[C@H]2CCCC3(CC3)C2)C1	2085000009	YWWAQPWZLHQVKG-KNIAUWFNSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CC(CC)C1)C1=CC[C@@H](C)CC1	2085000284	FYPWRLZAKQTWKJ-VXTDNTOSSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](N)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213291413	CCVNKOCBQIJWNW-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CC1(C)CC(C)(C)C1)C1CCCC1	2215394488	RWJNODPYRTVXBN-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@]1(C)CC=C(C)CC1	2215810543	UVBQNRXIILYOGT-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
N[C@@H]1CCC[C@H](CCCCCCCC2CC2)C1	2216880080	QJPWFRZVFCGCRY-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)[C@](C)(O)CCCCCCCC1CC1	2216902340	QTZMJNMEKBTLBR-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCC1(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218355170	ZQAFJCMYRDZDJN-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
NC[C@@H]1CCCC2(CCC2)[C@@H]1CCCCC1CC1	2220046555	OFCMEIAFHFKYQU-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H](c1c(C)cccc1C)C1(CC)CC1	2221998715	IEJKTENYYHMDGK-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
Fc1ccc(NCCCCCCCC2CC2)cc1	2223154707	MBCRJEOMCWUPLB-UHFFFAOYSA-N	249.373	4.988	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2C[C@@H]2C)CCC=CCCC1	2223547822	OFLSOADFKSGKCM-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)c1ccc2occc2c1	2224133487	XAPKUEGCGHYPML-SWLSCSKDSA-N	245.366	4.520	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CC1(C)CC(C)C1	2246451697	YXFKSMMEVUYNAV-KNIAUWFNSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)NCCCC[C@@H]1C[C@H]1C	2247093384	SCGDEGILJXGOES-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCCCC[C@H]1C[C@H]1C	2250407997	AIAAPVGDXJLBFE-UGUYLWEFSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)[C@H](C)C1CC1	2250479494	VLHCBPANRYHUQG-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)[C@H](O)CC1CC(CC(C)(C)C)C1	2251535312	MLGCEIRXWHBRKJ-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(CC)c2ccc(F)cc2)C1	2253415418	AHGVIQDGJRRKIO-CZUORRHYSA-N	249.373	4.621	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC(C)C1)c1ccco1	2253658729	RWFZVWAEVGSMQY-BBBYJDLNSA-N	249.398	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCC3(CCC3)NC2)C1	2253969045	FWGLVEJBTQFYGD-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@H](N)C1(C)CCC2(CC2)CC1	2254955818	YEJKWOAWVNBPLC-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C(C)(C)C1CC1	2255053033	PYSLVTBUZOTVTC-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CC[C@H]1CCCC12CC2)C1CCCCCC1	2255254083	QJLFSQWBHHHSJK-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)[C@](N)(CC[C@@H]2CCCC23CC3)CCC1	2255266876	CPYBROVBNFSUIY-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CCc1ccc(OCC[C@H]2CCCC23CC3)cc1	2255309656	BYUXDZCVENJCSB-OAHLLOKOSA-N	244.378	4.598	0	10	BJAE	
CC1(C)C(C(=O)CC[C@@H]2CCCC23CC3)C1(C)C	2255313004	LWXOTXIFUZWQBQ-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](NCCCCC[C@@H]1C[C@H]1C)c1ccccc1	2257338609	HZCDNAOPXBORAL-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
CCCOc1ccccc1NC[C@@H](CC)CCC	2259465475	WFVSEFBDKHTUTD-AWEZNQCLSA-N	249.398	4.714	0	10	BJAE	
CC[C@H](NC[C@]12CCC[C@H]1CC2)C1CCCCC1	2260538806	LUSQMMGKGBENLI-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCNC[C@@]23CCCC[C@H]2CC3)CC1	2260559964	YGQYQELEWYBQKA-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@@]23CCC[C@H]2CC3)CC1	2260599118	DHBGRIXTGSIBNF-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](NC[C@@]12CCCC[C@H]1CC2)C1CCCC1	2260630945	ZIKCFGBTAWIGDD-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1ccc(C(F)F)cc1	2301830301	WLCRTDMBQDVRPW-GHMZBOCLSA-N	241.325	4.717	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@]1(N)CCCCCC1(C)C	2301841618	WLBSAMBCJBGZRR-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@H](CC(C)C)[C@@H](C)[C@@H](C)C(C)C	2301958687	MWTFSIYGYYATJI-JYJNAYRXSA-N	241.463	4.577	0	10	BJAE	
CCc1cscc1N[C@H](C)c1ccc(F)cc1	2302888182	VUAVPVJGKHGLEJ-SNVBAGLBSA-N	249.354	4.623	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@H]2CCC2(C)C)C1	2304418799	TZSSBVBRVZSYRA-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309181857	HMZVRFHRJFLMOK-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309185201	SJTZDPIXZVMBKE-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@H]1C)[C@H]1C=CCCC1	2310427297	XGBJITNVKOYVDO-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H]1C[C@H](C)Nc2ccccc21	2311573217	DYRVOEUTYRYJKW-XGUBFFRZSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)C[C@@]23CCC[C@@H]2C3)C1	2311892800	OLUDVUHSUTYEMU-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1CC)c1ccccc1	2312457320	XXZYSVNXPLKDGE-UAGQMJEPSA-N	245.410	4.554	0	10	BJAE	
C[C@H](c1ccc(N)cc1)C(CC1CC1)CC1CC1	2313694348	DXFPJJUAKRWWEV-GFCCVEGCSA-N	243.394	4.589	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@H](C)CC2CC2)cc1	2313697516	DVAQHJPWDPUCOV-CYBMUJFWSA-N	244.378	4.504	0	10	BJAE	
CC(=CC=C1CCNC(C)(C)C1)CCCC(C)C	2316535459	IBOOBJHWFBUOMS-UHFFFAOYSA-N	249.442	4.847	0	10	BJAE	
C[C@@H]1[C@H](Nc2ccccc2C2(C)CC2)CC1(C)C	2318184983	UNSRPLXYESOTPI-IUODEOHRSA-N	243.394	4.585	0	10	BJAE	
C[C@@H]1CC[C@](N)(CCCC2=CCCCC2)[C@H](C)C1	2318545856	NCJIWANXALFVOK-BFYDXBDKSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C2C[C@H]3CC[C@H](C2)C3)C1	2319121173	KRIBWUDUYHLIKW-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@H]1CC[C@H]1C1CC1	2319547222	ZIASFVZWOFKIRI-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(NC[C@@H]2CCC(C)=C(C)C2)CC1	2320406294	MEQRCVQPWZXLOS-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC1(C)CCC[C@@](C)(N[C@@H](CC2CC2)C2CC2)C1	2320692463	OOQDCKWTKLKGMR-DOTOQJQBSA-N	249.442	4.514	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)[C@H](CC1CC1)C1CC1	2320766234	RVQAEFIMHWZTDI-IAGOWNOFSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)cc(N[C@H](C)CCC=C(C)C)c1	2321097234	ZQKVGEVVGXFQFN-CYBMUJFWSA-N	249.373	4.935	0	10	BJAE	
CCc1cccc(OCC[C@@H]2CCC(C)(C)C2)c1	2321632316	FHOOTWIHLPWFAL-HNNXBMFYSA-N	246.394	4.844	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)C[C@@H]3CCC[C@@H]3C2)C1	2321650493	UEPUJJQLGKCHLB-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@](O)(CC)Cc1ccccc1	2328192927	HPRVMWSIMYMILW-NVXWUHKLSA-N	248.410	4.587	0	10	BJAE	
CCCCSc1cccc2ccccc12	6853792	HTXWHKJWSFNHKM-UHFFFAOYSA-N	216.349	4.732	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2ccc(C)cc2C)cc1	20008261	IVLZOOUHGAITGA-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@H]2C[C@@H]2C)c(C(C)C)c1	21516092	COWIBGGUJLBBGL-ZLIFDBKOSA-N	245.410	4.589	0	10	BJAE	
CCCCC[C@H](N[C@H](C)C1CC1)c1ccccc1	37259467	NSQLQELGHBYZBI-PBHICJAKSA-N	245.410	4.696	0	10	BJAE	
CCC(=O)c1cccc(-c2cc(C)ccc2C)c1	38071680	OMAPKGVIQZACCV-UHFFFAOYSA-N	238.330	4.563	0	10	BJAE	
Clc1ccccc1[C@@H]1Oc2ccccc2S1	38886011	QJOUAJBGHXTGJD-CYBMUJFWSA-N	248.734	4.523	0	10	BJAE	
CCCC[C@H](CC)CCCCNCC(C)C	70743608	GPTHRSUABGJVJS-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1cc(C)ccc1F	70977743	ODKCTKADTNKQRV-OCCSQVGLSA-N	235.346	4.515	0	10	BJAE	
CCSc1ccccc1N[C@@H](C)CC(C)C	71104765	XUICVJAHONIYJT-LBPRGKRZSA-N	237.412	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc3[nH]ccc3c2)C1	71106781	PRNKCOGFAFYPJG-TZMCWYRMSA-N	242.366	4.549	0	10	BJAE	
CCCC[C@@](CC)(CNCC)C[C@H](C)CC	71127921	WZPMRMYKXGBMTQ-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC(C)(C)C1	79974990	VXQZZPZSDRCHJG-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
Fc1ccccc1Nc1cccc2ccccc12	82715883	OFILQCNLCKDJMF-UHFFFAOYSA-N	237.277	4.723	0	10	BJAE	
CCCCCC[C@@](C)(O)c1ccc(Cl)cc1	83503047	XNXMBJUPQOXDLN-CQSZACIVSA-N	240.774	4.518	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCC[C@H](CC)C1	83784103	RKAOGUJVUBYUEW-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CC[C@H](C)CC1(O)CCC(c2ccccc2)CC1	87163740	LPKJUJKMEZFKRJ-OOHWJJMZSA-N	246.394	4.512	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CC2CCCC2)CC1	87187499	UFVVUBKVZBBGFV-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCC[C@H](C)NC[C@H]1CCC[C@@H](C)C1	89605045	AQYGZJSJNAIMNV-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](NCCC)c1cccc(C)c1C	93074033	RFKNOAWTSHUKCC-MRXNPFEDSA-N	233.399	4.534	0	10	BJAE	
CCCCC(=O)c1ccc(Cl)c2ccccc12	93655841	XANIGMPKAFOSTD-UHFFFAOYSA-N	246.737	4.866	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCCC2(C)C)cc1	94303577	MVRTWQZXUUZTDE-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
CCCCCCOc1ccc2c(c1)CCCC2	96586568	ZWQHPWTXLOCCSU-UHFFFAOYSA-N	232.367	4.525	0	10	BJAE	
CCc1ccc(CC)c([C@H](CC)CCC(C)=O)c1	107473012	FUGVXZGIXLENJU-OAHLLOKOSA-N	246.394	4.674	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CCc1ccccc1	109709529	BYJHKPRPUQRZNQ-OAHLLOKOSA-N	246.394	4.795	0	10	BJAE	
CCCCCC[C@@H](NCCC)C(C)(C)CC	124903696	IAGYQKRGTZIDLW-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C(CC)CC	126135901	AWQUPEVMOLFFJO-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CN	132239725	VVPWEZDEAWWSKZ-ZNMIVQPWSA-N	239.447	4.604	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C[C@@H](C)CC	162473137	NEQPCVNHMWTSRH-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC(=O)Cc1csc2ccccc12	164568320	LHLSDGMLKBOSJA-UHFFFAOYSA-N	246.375	4.593	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)cc1C	166094452	DOQCBBGUHPSKPO-JGGQBBKZSA-N	244.378	4.558	0	10	BJAE	
CC(C)CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O	166194205	OIDKWEXSAXOGMN-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C[C@H](C)CC)cc1	167177822	QYNOOLJGYCFAKE-OLZOCXBDSA-N	232.367	4.819	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1Cc2ccccc21	167751648	FZVOIFSEKUOMLH-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](Nc2ccccc2)C1	200998087	NDQTYANKBJVZOF-DZGCQCFKSA-N	231.383	4.703	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC[C@@H](C)C1	216367294	JVDMVMOMILMLIT-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1(C)CCCC1	228725952	YLZSUEXPTZUUKW-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@H](C[C@H](CC)CCCC)NC	228741441	LYERKLFTKATEBG-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cc2ccccc2s1	229269889	VRNNEZZCAUMREC-YPMHNXCESA-N	248.391	4.761	0	10	BJAE	
Cc1cc(C)c(-c2ccc(N)c(Cl)c2)c(C)c1	232153917	JLNRBVUUPDIXDX-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCCCCC[C@H](C)Nc1cc(C)c(O)cc1C	232942080	DVOMLEVUDYEQMH-AWEZNQCLSA-N	249.398	4.780	0	10	BJAE	
CCCNCC/C=C(C)\C1=C/CCCCCC1	233079817	UBEYCMAELXROGH-XCMCHEKJSA-N	235.415	4.603	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C1=CCCCCC1	233615290	CWFZLFSTLFDDQH-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC2(CC)CCC2)CC1	234097425	TZTRYDFYHFRVQS-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CCCC1CCCCC1)CNC(C)(C)C	302247581	JEKSVLAEWARGCN-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@H]1[C@@H](N)CCC1CCCCC1	305905377	CNNKHCXFDZCGOP-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H](CC)CC(C)C	308099327	QGKPYSDFKQCTTP-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](NC)C1CCCCCC1	308104428	UIOQZAIFMFEIEL-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
Cc1c(N)cccc1S[C@H]1C=CCCCCC1	310060685	OCEDYSJFEUOPHC-ZDUSSCGKSA-N	247.407	4.558	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC1(C)CCCC1	310404486	NVJTVXZXTSDZSK-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC1([C@H](N)c2ccccc2C(C)C)CCCC1	310889963	YEHXJENDKZPVNU-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
C[C@H](CC(=O)C1[C@H]2CCCC[C@H]12)C1CCCCC1	311078430	NVYXUVMODRHWMB-SNPRPXQTSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCCC(C)(C)C)CC1	313263649	DFSDJLQRSYXYAV-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H]1C[C@H](C(C)(C)C)CCC1=O	319526495	BNOGSYYJVJJOLH-IGQOVBAYSA-N	238.415	4.700	0	10	BJAE	
Cc1ccc2ccn(C3C[C@H](C)C[C@@H](C)C3)c2c1	384704634	DYUXEPXLFOJUGS-ZIAGYGMSSA-N	241.378	4.947	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CCC1=CCCCC1	384934446	IWADFMNXEFJSDD-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CC(C)(CCNC1CCCCCCC1)C1CC1	393956710	FYUWIGUXLMDZRO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)c1ccccc1)C(C)(C)C	395024826	OIJDGCGJMZUKJE-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
Cc1cc2c(S)csc2cc1C(F)(F)F	396310844	VDHXSNJOBDGQPT-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@@H]1CC[C@H](CNC)[C@H](CC2=CCCC2)C1	400651154	QENTZZBQBJMZOL-OIISXLGYSA-N	249.442	4.539	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1cccc(C(C)C)c1	688925947	HWRJHOGEPQUNMW-CJNGLKHVSA-N	234.383	4.526	0	10	BJAE	
CC(C)c1cccc([C@@]2(O)CCC[C@@H](C)CC2)c1	688939708	PTKIFZBQIQVSEG-RHSMWYFYSA-N	246.394	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCCCC[C@H]1CC	691172164	XSLOIJWURYDFIK-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
C[C@H](CC(=O)[C@@]12CCCC[C@H]1C2)C1CCCCC1	693200347	OWYJZMCOSBAMQL-UKPHBRMFSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](CC)NCCCC1CCCCC1	694059622	NBQUVOYHUBRFNR-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]([C@H](CC(C)C)NC)CC1	695081319	OXSXTJTXTSXLMM-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C1CCC([C@@H](O)CC(C)C)CC1	695123994	FQCUSNNQHGVEPH-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC2CCC3(CC2)CC3)C1	695685411	XOUQGAPBPNCQPV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)CCN[C@H](C)c1c(C)cc(C)cc1C	696174719	NYCFOHOUGGHARY-BLLLJJGKSA-N	247.426	4.699	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C(CC)CC	696644211	GVCXXMOEJGIPOX-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)CCC(C)(C)CC	696800143	RVXSQDIANOLQPM-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC(C)=CCC[C@H](O)c1cc2ccccc2s1	697582764	XEVCCBPZZDIIOP-ZDUSSCGKSA-N	246.375	4.681	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@H](CC)CC(C)C	697809163	KTZLXYXLEAWLCN-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@]2(C)CC2(C)C)cc1	702170731	ILIAEFQPUUZKEQ-NUTKFTJISA-N	245.410	4.636	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@H]1CCCC[C@@H]1C	704852169	RQDHEFFYVIBSAO-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C1CCCCCC1	704888187	JKQMTIUTHBJQFP-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@H]2CCCC[C@H]2C)CC1	704988156	WLKHTDZDAFKHDJ-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)CCC[C@@H](C)CC1	709142050	IYQVOKMWGRPSNR-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1cscc1Cl	710403873	ZJASPWPGRDKINN-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
C[C@@H](C[C@@]1(N)C[C@H]2CC[C@H](C2)C1)C1CCCCC1	711195313	QYOMNRKBXAKCCR-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C[C@H](O)c1ccc(C)cc1C)C(C)(C)C	711209906	FLVCBLCYBCXZEZ-HOCLYGCPSA-N	248.410	4.799	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H](C)C1CCC1	713142950	KDMGFNFAPZURRJ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@H]1CC(C)(C)C	713168499	OCNFNVUORZPFBS-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](CC(C)(C)C(C)C)C1	713174230	JZWMOKWORIQGJR-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)COc1ccccc1C(C)C	713236879	TWQABBFYVXAQLI-UHFFFAOYSA-N	220.356	4.625	0	10	BJAE	
CCC(C)(C)CC(=O)c1scc(C)c1Cl	713318183	JHJUHIQYRICUAU-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1CCC(C)(C)CC1	713326404	YLTOBXHZEQBBQH-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@@H]1CCCC12CCC2	717440003	RNLQBGMXAKVOJE-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@@H]1C=CCCCCC1	717461103	DESCHOHAVCRRBR-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)CC(C1CC1)C1CC1	718528441	NQXJRFLFBPDGJR-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCC(C)=C(C)C)CC1	718695250	UMWALQWBLWCFFO-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](N[C@H]1CCCCCC1(C)C)C1CCC1	719307888	LWZQUXUQCVXGDJ-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1sc(C)cc1C	719418853	ILWVJAFBCSOKKG-CYBMUJFWSA-N	238.396	4.535	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1c(C)sc(C)c1C	722499682	ZLBNKHYPXULAAH-YMTOWFKASA-N	240.412	4.533	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H](C1CCCCC1)C1CC1	723984645	XUXPFXWYUSMDMM-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CCN(C)Cc1cc(C)cc(C)c1	1307743690	KOCSANHGEAYMNM-UHFFFAOYSA-N	247.426	4.562	0	10	BJAE	
C=C/C=C\CCSc1ccc(Cl)c(F)c1	1473056327	SPILDANQGIGZOY-ARJAWSKDSA-N	242.746	4.704	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC1CCC(C)(C)CC1	1876815251	NWOUIJKOVNVJRI-CQSZACIVSA-N	237.431	4.680	0	10	BJAE	
CCC[C@@H](C)CC(=O)CCC1=CCCCC1	1901688242	GERSNEZWGMBHGX-CYBMUJFWSA-N	222.372	4.662	0	10	BJAE	
CC[C@@H](c1nc(CCC2CC2)cs1)C(C)C	1901903453	JTDMWYNVQRLNNR-CYBMUJFWSA-N	237.412	4.635	0	10	BJAE	
CCC[C@@H](CC)C[C@@](N)(CC)CCC(C)C	1905367381	WODJTZZFZMUCIC-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CC[C@H](C)C[C@H](CCC=Cc1ccccc1)NC	1911849770	HZFGAIPHLVKTSY-RDJZCZTQSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@H](CCCF)C[C@H](CC)C(C)(C)C	1913240942	FTMBGFPPZDLKIN-UONOGXRCSA-N	245.426	4.567	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCC2(CCCC2)C1	1916429858	HMLRAKNRDQHCES-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@](O)(CC)[C@H]1CCC[C@H](CC)C1	1919523686	LOOQUZWVAVMZSF-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@]1(O)CCC(C)(C)c2ccccc21	1919636618	QWBQXXMGERQAQB-QGZVFWFLSA-N	246.394	4.526	0	10	BJAE	
CCCC[C@H](CC)CC1(CO)CC(CCC)C1	1921168820	FXOKCNVXDYSEAE-FHERZECASA-N	240.431	4.782	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@](C)(CN)C1CCCC1	1924093447	QHYMPSURUFHBIU-BBRMVZONSA-N	239.447	4.604	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2C=CCCCC2)C1	1925797637	JFYLPEGUJZLZHX-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
Fc1cccc2cc(C[C@H]3C=CCCCC3)oc12	1925843391	JXKOHFDDGCOCAX-LBPRGKRZSA-N	244.309	4.861	0	10	BJAE	
CSc1ccc(NC[C@@H]2C=CCCCC2)cc1	1925918018	QHWOTOUSKWBAIS-CYBMUJFWSA-N	247.407	4.567	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1C=CCCCC1	1925931065	WZFVXOQELMFQIA-OAHLLOKOSA-N	243.394	4.968	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CCCC1CCC1	1936343490	HXODZXGETMLURG-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCc1nc2c(s1)CCCCCCCC2	1938722246	ZNNRSKZGPUOLON-UHFFFAOYSA-N	237.412	4.535	0	10	BJAE	
CC(C)C[C@H](C)NCC(C)(C)C1CCCCC1	1940763523	SKKXDWBRRUTJAO-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(NCc2cscc2C)cc1	1941468536	RHUULZGUVMEXOR-UHFFFAOYSA-N	245.391	4.621	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CCCCCC2CC2)C1	1941584717	BJJJJPSYPGVRHL-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)C(=O)c1ccc(C2CCCC2)cc1	1944121374	GRWITRKBISAGRI-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CC(C)(C)CCC[C@@H]1C[C@@H]2CCCC[C@H]2C1=O	1946337358	MHMSXKCEOFYIKD-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@]1(O)CCCCCCCC1(F)F	1947511073	UFWBMEKIXLIFFW-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CN)CC12CCCCC2	1950598525	GXVKMRHTNCLRTA-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@H]1CC12CCCCC2	1950660079	XPIZOALZFVQXBE-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CNC[C@]1(CC(C)(C)C)CCCC(C)(C)CC1	1950915165	XXUUIYGKZGFSCV-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(F)(F)CCC(=O)[C@@H]1CCCC(C)(C)CC1	1950921082	BMYZWBCNWFBKOL-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
Cc1ccc([C@@H]2CCCN2[C@H](C)CCC(C)C)o1	1964148777	ROAXRMLOCMCBRD-HIFRSBDPSA-N	249.398	4.550	0	10	BJAE	
CC[C@H](N[C@H]1C[C@@H]2CCCCC[C@@H]2C1)C1CCC1	1967822097	IUALTOKVLVUCPF-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H]2C[C@H]2CC1)C1CCCC1	1967833469	BUDXGOCYCIKVQT-HZMVEIRTSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC([C@@H](C)NC2CCCC2)CC1	1968314730	ARJMJDHEBDJBOZ-WLYUNCDWSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(O[C@H]2CCC3(CCCC3)C2)c1C	1968365033	OQXZFFNCXGWRDM-HNNXBMFYSA-N	244.378	4.795	0	10	BJAE	
C[C@H](CN1CCC12CCCCC2)C1CCCCC1	1969770310	YXGOKJZMQWSNFM-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCC(C)(C)C[C@H]1C	1973163972	MPWPDZGSVDLZIM-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC(=O)C[C@H]1CCC=CCCC1	1978278706	APRGDDFLSWMHAK-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
C/C=C/CCC[C@@H](O)[C@@H](CCC)CC(C)C	1984608424	VLYFZIUZERMUSB-SJKUQHEZSA-N	226.404	4.556	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CCC(C)=C(C)C	1988793669	BEDSAPVDHKHRTI-HNNXBMFYSA-N	224.388	4.620	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H](C)CC)CC1	1989838778	LNQHXNBEXURBLF-IYXRBSQSSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CCN(C)C[C@@H](C)CC(C)(C)C	1995888934	SGSGQPZYFVMHAP-AWEZNQCLSA-N	241.463	4.817	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@@H](C)CC(C)C)NCC	1996616217	KVCXFFHGOWQDIP-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CCC[C@H](C(C)C)CC1	1997198230	VFAPMQCUWHRNHJ-JKSUJKDBSA-N	233.399	4.882	0	10	BJAE	
CN[C@@H](CCC[C@H]1CCC=CCCC1)C(C)C	1999991907	DJRCQKDZENRVHE-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)C[C@@H]1CCC=CCCC1	2000005151	YMQPCQHSNLLWMW-CABCVRRESA-N	238.415	4.556	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(CO)CCCCCC2)C1	2000657601	YFNPJIHDKSSNTA-LSDHHAIUSA-N	238.415	4.536	0	10	BJAE	
CCCCN(C[C@@H](C)CC(C)(C)C)[C@H](C)CC	2000900707	QBNXZHJHNQIQBF-LSDHHAIUSA-N	241.463	4.959	0	10	BJAE	
C[C@H](C[C@H]1CCCCCC[C@@H]1O)CC(C)(C)C	2003101188	VLUKDHITEIQMGG-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCCCCC[C@H]1O	2003111213	JUSNSBMHYPPRGX-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1CCC[C@H]1CC1(O)CCCCCCCC1	2003111715	NWKPRULULWRSJK-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCC1(CC)CCC(O)(C2CCCCC2)CC1	2004338768	HTCABDVRDVKJTH-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)CCNC1CCC(C)(CC)CC1	2004352411	WWQRSUYZTZXZAT-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
Cc1csc(C(=O)[C@@H]2CCCCC23CCC3)c1	2005562429	BBTNPKNLPFMRNE-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1CCCC(C)(C)CC1	2006719495	WEROVPCWHPNOBV-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H]1CC[C@H](C)CC[C@H]1NCCC	2009407095	KXFDCIZQQKHAQJ-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC=CCCC[C@H](N)C1CCC(C(C)C)CC1	2009572179	LCYDULZOSPGBTB-GPANFISMSA-N	237.431	4.523	0	10	BJAE	
C/C=C/CCC[C@@H](CC1CCCCC1)NCC	2009615588	AEDFWXCESIQKEY-WMHVBEDNSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H](CC)C(C)C	2009616286	HPIOPGXZRBTKNN-VKFONMJVSA-N	239.447	4.783	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@H](C)C1CCCCC1	2009616436	JDHVWRRPCPRVFG-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)C(C)(C)CC)C1	2009720507	VGALVVYJJPQUPV-NFOMZHRRSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C1=CC[C@@H](C(C)C)CC1	2010713330	DDRYWLXAJKQXPP-HIFRSBDPSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C1=CCC(C)(C)CC1	2010745138	XQMSXNJHEYAGSY-XJKSGUPXSA-N	237.431	4.667	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C12CCCC1CCC2	2012136832	SPMSOKONSHWAFA-VQCLRJIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C[C@H](C)CC(C)(C)C	2013305000	YFCQLJJYMFBWMS-CABCVRRESA-N	241.463	4.815	0	10	BJAE	
CN[C@H](CC[C@@H](C)C(C)C)CC1CCCCC1	2015410750	DJFWJEXXGPERNG-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CC12CCC2)NCCC	2015511664	FUMYFKYRKYOWSK-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](CCC2CC2)NCC)CCC1	2015642965	WQBCMSXFBSESDE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@H](C)CC(C)C)CCC1	2015645964	WCNZJPXOGINKBF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1(c2csc([C@@H]3CCCC34CCC4)n2)CC1	2018302829	PBXYQGBDTXSXNM-NSHDSACASA-N	247.407	4.632	0	10	BJAE	
CCC1(C[C@]2(O)CCCC[C@@H]2C(C)(C)C)CC1	2018968471	UYAUUHTWCHFWSK-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCCCCN(C)CC1CC(C(C)(C)C)C1	2019290493	JRMBJGLQGNLLJD-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C[C@H](C)C1CCC1	2019354602	XFGZQMCSWJLEDA-GOEBONIOSA-N	239.447	4.569	0	10	BJAE	
CCN[C@H](CC=C(C)C)C1=CCCCCCC1	2023333389	SVQLQYQBCKJGQY-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC[C@@H](C)[C@H]1NCCC	2024001570	SIBWDVLDAHBTGH-PSVUTLLTSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H]1CC[C@](O)(C[C@H](C)CC(C)(C)C)C1	2025577655	FESNICWHBLQOIU-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@H]1CC[C@H](C)C1	2035601841	QIMWRKUFADZJCY-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@H](N)[C@H](c1ccccc1)C(C)C	2037093793	RQXUZCHNCFJSNW-IRXDYDNUSA-N	247.426	4.724	0	10	BJAE	
CCC[C@](N)(CCC1=CCCCC1)[C@H]1CC1(C)C	2037168246	FTMVXVAKCWSMLJ-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H]2CCC[C@H](C)CC2)c1	2039377402	VDSZMWVDSHOJCH-SWLSCSKDSA-N	244.378	4.703	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@@H]1C(C)=CCC[C@H]1C	2039451573	ANJBDHUDJJGVLB-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)c1cc(C)c(C)cc1C	2040723558	LJLXPOMQHBNCLK-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
C[C@H]1CC(NC2(C3CC3)CCCCC2)C[C@H](C)C1	2042949442	VRNWORQCNCNGAR-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@@H](C)CC1=CCCCC1)[C@H]1CC1(C)C	2043186888	HWZYFAONJYFFRK-IMJJTQAJSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@@H]1[C@@H](C)[C@H]1C	2043291232	ABJGVTIAZAJKEG-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1([C@H](N)C[C@H]2CCC=CCCC2)CCC1	2045316969	IINTWDJBMFFUJJ-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCC=CCCC2)cc1F	2045330544	XAPOFSFFTOJVPT-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC1CCC=CCC1	2045568692	BJMMOIDJGSHGCS-CVEARBPZSA-N	248.410	4.908	0	10	BJAE	
CCc1ccc(C(=O)C2(C)CCCCCC2)cc1	2045609700	IMOHUUTYXOILBZ-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CN[C@H](C1CC2(CCC2)C1)C1(C)CCCCCC1	2045734932	HHVLOGPMXDQTLY-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](NCCC)c1ccc([C@H]2C[C@@H]2C)o1	2045773018	CPCHEYHBPHYIAV-IHRRRGAJSA-N	249.398	4.634	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CCCCC2)C1(C)CC1	2047016719	QOFFQJVJZDSFJY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(OC[C@H]2CC23CCCCC3)c(C)c1	2047056453	SNPDVSSXQUGPOZ-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
CCC1CCC([C@H](N)C[C@H]2CCC23CCC3)CC1	2047933164	RLUDUYBXYJNWPB-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@H]2CCC23CCC3)CC1	2047956994	VQXQHCJIJHNOLQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048360732	OPWVIDKYJULNDO-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(NCC2[C@H]3CCC[C@H]23)cc1	2048459188	GJCBVCOTQOGHEU-RCBQFDQVSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2[C@H]3CCCC[C@H]32)C1	2048470263	MFGDMTMNMKDTKU-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@]1([C@H]2[C@H]3CCCCC[C@H]32)CCCCCN1	2049226215	XAZGXDQUYNDSMI-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H]2CCCC3(CC3)C2)C1	2049947932	KUXLBPQXPMYDSC-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@@H]2CCC3(CC3)C2)C1	2049950757	JPOHOAXTJHMYHW-QEJZJMRPSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1CC[C@H](N(C)C2CCC3(CCCC3)CC2)C1	2051646402	SFESBYANIGHGAS-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
CC=CC[C@@]1(CNCCC)CCCCC12CCC2	2053359808	SSGAVJNLUOCGDD-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCNC[C@H](C1=CCCCC1)[C@H]1CCC[C@H]1C	2055273196	ZWQGNFWSZOLYRI-HYVNUMGLSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CCCC1CC1)C1(C)CCC2(CC2)CC1	2056556219	GBRFWIGAARXEDT-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(C[C@H](N)c2ccc(C(C)C)cc2)C1	2056716895	SOQROMNQQWYXOF-KVULBXGLSA-N	245.410	4.636	0	10	BJAE	
CC[C@H](C)c1ccc(CC[C@](C)(CC)CN)cc1	2058839650	HSZUARPUZOVSIS-YOEHRIQHSA-N	247.426	4.508	0	10	BJAE	
CC=CCCC[C@@H](NC)C1CC2(CCCCC2)C1	2059268455	YPQHWSYVIPMSTO-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](NC1CC(=C2CCC2)C1)C1CCCC1	2061250180	GAWLBUDWMFQYKD-QGZVFWFLSA-N	247.426	4.578	0	10	BJAE	
C=C=CCC[C@H](NCC)C1CCC(CCC)CC1	2061567212	WIJCFSZSFWFCRD-JCYILVPMSA-N	249.442	4.692	0	10	BJAE	
CCCC1CCC(N)(CC[C@@]23CCC[C@H]2C3)CC1	2061615793	HMSJWYXRESIQRM-VUROTCPHSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](N[C@H]1CCCCCC12CC2)C1CCC1	2062019860	KVQAFRIPPOOLHH-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCCCC1CC(N[C@@H](CC)c2occc2C)C1	2063670985	HQRMASLBOIPZQU-NRXISQOPSA-N	249.398	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)C12CCCC1CCC2	2063822818	WTKGWMNKPRBIAS-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCCC1)NCC12CCCC1CCC2	2063901229	XIVDALCLLYMWJR-OOHWJJMZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC23CCC(CC2)CC3)CC1	2065279247	HSYUEELKKLRCNZ-NYKLAOPUSA-N	248.410	4.742	0	10	BJAE	
FCc1ccc(NCC23CCC(CC2)CC3)cc1	2065312100	FETXXGPRWFVQQZ-UHFFFAOYSA-N	247.357	4.538	0	10	BJAE	
C[C@H]1CCC[C@](CN)(CC23CCC(CC2)CC3)C1	2065326613	DZFMQRQLRCCIFS-ZGRYLRDCSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CCC[C@](CN)(CC23CCC(CC2)C3)CC1	2065337654	BQSSCWJXHPZKLA-ZGRYLRDCSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)C[C@H]1CC12CCCCC2	2068268140	COULSKOTKPCQNU-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C[C@H]2CC23CCC3)C1	2069172959	DJADVVIJWDTHKG-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC1CC2(C1)CC21CC1	2072228065	KKCOUKKKTNGTGF-POZPTJLLSA-N	248.410	4.598	0	10	BJAE	
C1CCCCN(C[C@]23CCCC[C@@H]2C3)CCCC1	2074052588	WYAYDYWKKBSGES-IAGOWNOFSA-N	249.442	4.613	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC2=C(CCCC2)C1	2074900798	SVHOWPQPENZEQH-PBHICJAKSA-N	247.426	4.532	0	10	BJAE	
CC(C)=C(F)CN[C@H](C)c1ccc(C(C)C)cc1	2076362117	BOIUPSULYJGDJS-CYBMUJFWSA-N	249.373	4.724	0	10	BJAE	
CC1(CN[C@H]2C[C@H]2C2CCCCCC2)CCCC1	2079525371	ACVZLHGQNKRQMT-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1C[C@H]1C1CCCCC1	2079529528	MAWSQFIUIWFMNV-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1C[C@H]1C1CCCCC1)C1CC1	2079859142	AHQBTCMCEBMYSO-PVUWLOKVSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](C)CC1CCCC1	2081946430	HLFFSEPYFCUCSN-GFCCVEGCSA-N	249.373	4.769	0	10	BJAE	
CC(=C[C@H]1CCC=CCCC1)[C@H]1CC[C@H](N)CC1	2082138749	DYZQPVCRTURUEK-ULQDDVLXSA-N	247.426	4.587	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)c2scc(C)c2C)C1	2213677801	PVYTZPKRRRLATQ-TVQRCGJNSA-N	248.391	4.540	0	10	BJAE	
CC(C)(CCC[C@H](N)C1CCCCC1)C1CC1	2214780832	QFYWYMDTAVEXOZ-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCCCN(C)[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216246465	BVKFSMJSBJRJRQ-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@H]1CC)C(C)(C)CCC	2216283497	SCUOLHNGVICYEE-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCCC(F)F)CC(C)(C)CC	2216431476	XBPJFQYJQRMNKW-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CN[C@@H](CCCCCCCC1CC1)C1(C)CC1	2216877516	NCPPNEKWWXJCBJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
NC[C@H]1CC[C@H](CCCCCCCC2CC2)C1	2216890062	DZYUFPJRWHITQY-HOTGVXAUSA-N	237.431	4.502	0	10	BJAE	
CCC(CC)C[C@@H](CNC1CCC1)C(C)(C)C	2217142035	UPDAKXALXJDDMS-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218362040	SPDVUMBCOQAPNZ-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218372294	AHFLKFWYLFMFTG-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218379021	YLQARZTXPASVPN-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)C1[C@@H]2CCCC[C@@H]12	2218725111	LGYWUUZSLROZRX-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C1(C)CCC2(CC2)CC1	2220958472	IWBGTWFIKVTKGP-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(F)cc1NCC1(C)CC2(CCC2)C1	2221025616	NENRTXKNKQZQLU-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CC(C)[C@H]1CC[C@@](N)(CC2(C)CC3(CCC3)C2)C1	2221026283	UJQCVUAVSJMHOA-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@@]1(C)CC=C(C)CC1	2221633837	WBWQCSZCIIPAKL-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@]1([C@H]2CCC[C@@H]2C)CC=C(C)CC1	2221665145	FACKTNVLNLQJPD-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
C[C@]12CC[C@H]1CCN2CCCCCCCC1CC1	2223123090	MIKPEPWMLVZSQZ-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)CC[C@]1(CNC2CCC2)CC12CCC2	2223583094	ANBZKMHNXNUQHC-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)CCCC2CCC2)cc1	2223963774	MIBOEXHQEJFIHV-CQSZACIVSA-N	244.378	4.638	0	10	BJAE	
CCCCc1ccc([C@@H](N)[C@@H](C)CCC)s1	2242599645	ZRYMNYNEJUHSEG-FZMZJTMJSA-N	239.428	4.527	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNc1cccc(Cl)c1	2243031138	QHTOKXPSXLJEAP-RYUDHWBXSA-N	237.774	4.578	0	10	BJAE	
C1=C(Cc2cccc3sccc23)CCCC1	2243245572	OYTBCGOAXLSHAA-UHFFFAOYSA-N	228.360	4.944	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC1(C)CC(C)C1	2246525170	XAAOIMGRYNUDMH-IOSBVQAASA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(C(=O)CC[C@H]2CCC[C@H](C)C2)C1	2246656773	NNZDLSPTFRFULP-PGOFDVKTSA-N	236.399	4.598	0	10	BJAE	
CC[C@](O)(CC[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2246688436	URTLPUQFTVOKOR-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCCC[C@@H]1C[C@H]1C	2247174600	WSUFLKROXGJXPR-QLFBSQMISA-N	238.415	4.988	0	10	BJAE	
Cc1sc(C)c(C(=O)[C@@]2(C)CC=CCC2)c1C	2248281184	SKZGVXDOINNAOV-HNNXBMFYSA-N	248.391	4.602	0	10	BJAE	
CCC[C@H](NC1CCC=CCC1)c1cccs1	2249288913	HQADQYAYRQHXNT-AWEZNQCLSA-N	249.423	4.678	0	10	BJAE	
Cc1cc(NC[C@H](C)CC(C)C)cc(C)c1C	2249501370	QAFRFKPZVQMPEI-GFCCVEGCSA-N	233.399	4.706	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H](CC)CCC	2250360269	HDHIACDLOLNUKV-ZDUSSCGKSA-N	232.367	4.648	0	10	BJAE	
Clc1ccc(NC[C@@]23CCCC[C@@H]2CC3)cc1	2251171851	QDDKGRNTHRNRNR-DOMZBBRYSA-N	249.785	4.722	0	10	BJAE	
CCCCC(=O)c1cccc(C2CCCC2)c1	2251253611	PUQQKHIRFDHGAA-UHFFFAOYSA-N	230.351	4.717	0	10	BJAE	
CCCN[C@H]1[C@@H](CC(CC)CC)CCC1(C)C	2251711240	HQKKEZYEYKTZEG-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)C[C@H]1CCCCC12CC2	2253805076	LEFPKMZEIVERPO-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
Fc1cccc(NCC[C@H]2CCCCC23CC3)c1	2253880337	IWTVPFQDDQNCMW-CYBMUJFWSA-N	247.357	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(CN)CC=CC[C@H]2C)C1	2253940287	YZSYTIJMGYVSQS-QBPKDAKJSA-N	249.442	4.524	0	10	BJAE	
O=C(CC[C@H]1CCC12CCC2)CC1CCCCC1	2255024013	LJXIJAXAMPXEJG-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@@H]2CCC23CCC3)C1	2255026240	PYKIDLSZEPYVTE-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C[C@@H]1CCCC12CC2	2255222049	CHCRMNILTBTLRD-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Cc1c(F)cccc1NCC[C@H]1CCCC12CC2	2255278429	NNOZUBZUZYZIBW-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CCCc1ccc([C@@H](O)CCCC2(C)CC2)cc1	2256318146	QMJMPNUHBZYGFX-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccc(C2(C)CC2)cc1	2259436468	GUOZPNQQKYVTMA-CZUORRHYSA-N	245.410	4.564	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cc2cc(C)ccc2o1	2259447207	KYWYZVJTFXWUAD-LRDDRELGSA-N	245.366	4.567	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@]12CCCC[C@@H]1CC2	2260523807	GWGZZKBVVNSBQL-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(C[C@@]12CCCC[C@@H]1CC2)C1CCCC1	2260655000	BCGJNJYFMDDXMO-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1C)[C@H](CC)CCC	2298646390	WUAFGCQBWGAYGJ-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CCC[C@H](C)CC1	2300675113	BHXQIZLSTZCCNA-BPUTZDHNSA-N	240.431	4.780	0	10	BJAE	
CCC(C)=CC[C@@H](O)C1(CC(C)C)CCCC1	2300908015	YNNLVZGNXNQUIK-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCCCCC2)C[C@@H]1N	2301147165	GXNLHSGUOYLQFV-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](O)CCC1=CCCCC1	2301936588	XFOFZQCSVGARPJ-DZKIICNBSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@@H](C)[C@@](C)(N)CC1(C(C)(C)C)CCC1	2301936874	ZWPDFRMEMRAHSP-HIFRSBDPSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)C1CCCCCCC1	2301971380	MRDGLHLRSQCJAT-LSDHHAIUSA-N	239.447	4.712	0	10	BJAE	
CC(C)(C)c1ccc2[nH]c(C3CCC3)cc2c1	2302548118	VSJVWIYPZLQNCW-UHFFFAOYSA-N	227.351	4.733	0	10	BJAE	
CSc1cccc(NC[C@H]2CCC(C)(C)C2)c1	2302681735	XCQKGUOGBMQNIT-LBPRGKRZSA-N	249.423	4.647	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@H]1CC[C@@H]1C(C)(C)C	2303471428	LWUFADKSDLSMQG-LJISPDSOSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CC[C@@H]2C[C@H]2C)CC1	2303595929	ZBGLZWSKBXVVPW-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCc1cc(F)cc(NCCC(C)=C(C)C)c1	2304010112	FXONUFDNFKDDAG-UHFFFAOYSA-N	235.346	4.546	0	10	BJAE	
CC1(C)CC[C@@H](CCNC2(C)CCCCC2)C1	2304419848	GOBQLJRPFZZGDV-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@@H](N)CC[C@H]1CCC(C)(C)C1	2304438053	TZSVCIBKIJEATN-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@](C)(N)C2(C)CCC2)C1	2304448158	VPWXLRGNUGEPPB-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CC(C)(C)CC2=O)C1	2304448276	WKULXXZHXJSDFK-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)c1nc([C@H]2CC23CCC3)cs1	2304498461	MJPWPMRPSOBDND-LLVKDONJSA-N	249.423	4.878	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)[C@H]1C[C@@H](F)C1	2307393266	XUJIHUICBGZXNR-MCIONIFRSA-N	242.378	4.546	0	10	BJAE	
CCC[C@H](CC)C[C@H](C[C@@H]1C[C@H]1CC)NCC	2307820262	WIOCCCVGQLSZCT-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC12CCCCC2	2307831633	MHKZOFBXHORGLN-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1	2309138825	RUGCSVUJQLMJAZ-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@H]2CC[C@@H]3C[C@H]23)CC1	2311021284	MPRULLOFPJNSNS-DRXUAVOGSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1C[C@@H]2CC[C@H]1C2)C1CCCCC1	2312909974	RUQSNRCNMMDRCK-XRGAULLZSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@@]12CCC[C@@H]1CC2	2313308681	MGOPGTPLZKFYMZ-ZMSDIMECSA-N	246.394	4.662	0	10	BJAE	
C[C@@H](C[C@@]12CCCC[C@@H]1CC2)[C@H]1CC[C@@H](N)CC1	2313321944	XGPSMYBQAUQOOK-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CC[C@@H]2C[C@@H]2C1	2315873502	WJICDPOUHYMXCI-OAGGEKHMSA-N	243.394	4.719	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H](C)c1ccc(C)cc1	2316239010	PBEFCJULQDRRGP-YOEHRIQHSA-N	247.426	4.642	0	10	BJAE	
N[C@H]1CCCCCC[C@@H]1CCCC1=CCCCC1	2318538594	JHLYGNFSXQWXMT-SJORKVTESA-N	249.442	4.955	0	10	BJAE	
C[C@@H]1C[C@H]1CCCN(C)CCCC1=CCCCC1	2318570493	XVQTYDYFPZLPLR-NVXWUHKLSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)[C@](N)(CCCC2=CCCCC2)CCC1	2318573709	VOWQWRXQXQRBGD-QGZVFWFLSA-N	247.426	4.875	0	10	BJAE	
CC[C@@H]1CC[C@@H](N(C)CCCC2=CCCCC2)C1	2318595112	MQGYINHLZHBNKC-NVXWUHKLSA-N	249.442	4.778	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC1(N)CCC2(CC1)CC2	2320255769	AJBYTNBCTVXHRN-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@](CNC(C)(C)C)([C@@H]2C[C@@H]2C)CC1	2320387581	IEVBJFNQKFIQME-YSVLISHTSA-N	249.442	4.537	0	10	BJAE	
CNC[C@@]1(CC2CCCCC2)CCC(C)=C(C)C1	2320394775	SDJDZXZNJVMLMH-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC(C)CC12CC([C@@H](N)C3(C)CCCCC3)(C1)C2	2321589419	ZHGFHYOYTVADCW-OOHWJJMZSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC12CC([C@](C)(N)C3CCCCC3)(C1)C2	2321592894	NXWBRBDIXJHMFU-KLAILNCOSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@](C)(N)c1cc(C)ccc1C(C)C	2327697837	VHRNLBSLSYHEGW-QGZVFWFLSA-N	247.426	4.873	0	10	BJAE	
C[C@@H](Nc1ccc(F)cc1Cl)c1ccccc1	20358653	LUNDRHUKVPESJK-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CN[C@H](CCC1CCCC1)c1cc(C)ccc1C	35489847	JSLRABMMCZRXAI-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@H](CCC)c1csc2ccccc12	35583999	WDMUFRFRAYINLV-CQSZACIVSA-N	247.407	4.742	0	10	BJAE	
CCCCCCOc1ccc(NCCCC)cc1	41579147	CSYXCIWNADQBAF-UHFFFAOYSA-N	249.398	4.858	0	10	BJAE	
Cc1ccsc1[C@@H](N)C[C@@H](C)CC(C)(C)C	42728914	ZUEDXGUELSJYHS-PWSUYJOCSA-N	239.428	4.519	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccccc1[C@H](C)O	49542727	WDEXFOVAMGDOFK-KGLIPLIRSA-N	249.398	4.511	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H](CC)c1ccc(C)cc1	70105555	YHPIIRLHHLYQDW-IAGOWNOFSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](C)C(F)(F)F)cc1	75840435	FSGLWHYAVXBHIG-ZJUUUORDSA-N	230.273	4.866	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H]1CC[C@H](C)C1	87991566	KHQULEJWVHCJOO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)Oc1ccc(C=O)cc1C	91873838	YNYYYLJJPOZBAG-CQSZACIVSA-N	248.366	4.545	0	10	BJAE	
CCCNCC/C=C(/C)[C@@H]1CCCC[C@@H]1CC	93675128	ODALLTKJLNHZTQ-RPZAIAHZSA-N	237.431	4.539	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1CCC[C@@H](C)C1	94984784	KPOPGDDVDVYNCS-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1-c1csc(N)c1	104590008	LXAFXDXVBLMMKM-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
Cc1cc(-c2sc(N)cc2C(C)C)ccc1F	107452702	NNELWLJMKDJQNR-UHFFFAOYSA-N	249.354	4.568	0	10	BJAE	
CCC(CC)C[C@]1(N)CCC[C@H](CC)CC1	127879347	YLTKAMOOLSQBGJ-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](c1cc2ccccc2o1)C(C)(C)CC	128165592	NCFPSHBCXHAEPY-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CC[C@H](C)c1csc(-c2ccc(C)cc2)n1	132194599	YIQLVGGIZFMOJA-NSHDSACASA-N	231.364	4.632	0	10	BJAE	
CS[C@@H](C)c1cccc(N[C@H](C)C(C)C)c1	134502486	PQYFJRCRAGNDEF-NEPJUHHUSA-N	237.412	4.567	0	10	BJAE	
CC(C)CCCNc1cc(Cl)ccc1Cl	165168944	JDPLVMUBZIGMAV-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)c1cccc(C)c1	165812822	WHZUSPIPABKZDM-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1cc(C)oc1C	167103761	YOQJTEQJVFDVCC-ZFWWWQNUSA-N	238.371	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C2CCCCCC2)CC1	167643387	NRYNNMKGCFMXOL-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CC1CCCC1	168915454	BYGCWGIWPCAHFE-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCCCCCC[C@H]1C[C@@H]1CBr	196217464	BCZFEIIOWURNGR-NWDGAFQWSA-N	247.220	4.768	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CC2CCCCC2)C1	203570124	PRIXHVQALQAIQT-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(O)CC1CCCCC1	214799436	NZHFGMNOVPDAKO-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@@H](CNC(C)(C)C)[C@@H](CC)C1	219549275	GANSOGJSCAIANL-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)(F)C1(c2ccc(Cl)cc2)CCCC1	220782880	GQXZJDXLSQCXRD-UHFFFAOYSA-N	240.749	4.900	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC[C@@H](NC)C1	227720657	YJWRVSUZFIADHA-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)c1c[nH]c2ccc(Cl)cc12	232622513	XXTSDPOZDCIREM-JTQLQIEISA-N	235.758	4.971	0	10	BJAE	
CC(C)=CCNc1ccc(-c2ccccc2)cc1	232649264	VCSAQOABSKGETN-UHFFFAOYSA-N	237.346	4.732	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1c1cccc2c1NCCC2	234058904	BWHQFBIDUOJAIN-ZFWWWQNUSA-N	243.394	4.729	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2ccc(F)cc2C)C1	235716778	RXRIEZSWHLYRBW-BXUZGUMPSA-N	247.357	4.538	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)C[C@H](C)C(C)(C)C)C1	252909185	ZLWAEPLYPXIVMJ-LJISPDSOSA-N	240.431	4.636	0	10	BJAE	
CCC(F)(F)c1cc(C(C)C)c(OC)cc1C	259009538	NYGZHAVQFADXFJ-UHFFFAOYSA-N	242.309	4.629	0	10	BJAE	
CCC[C@@H](C)[C@H](CNC(C)C)c1ccc(C)cc1	300460391	AHOURQABUHWZDF-WBVHZDCISA-N	247.426	4.513	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCC(C)(C)C	300969268	ZQLXFTSYOMQXKE-ZDUSSCGKSA-N	226.404	4.988	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)CCCC(C)(C)C	302264951	FZWAAPUHFPZTEZ-CVEARBPZSA-N	248.410	4.758	0	10	BJAE	
Cc1ccc(C(=O)CCCC(C)(C)C)cc1C	304155588	SLXAYYCHFXZBCP-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)C[C@H](C)CC(C)C	305993982	UAKLBHWDFTVJJF-OIISXLGYSA-N	248.410	4.613	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1ccccc1C1CCC1	306066946	YYCPHHGJDCSHQX-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CC1(C)CC[C@H](N)[C@H](CCC2CCCCC2)C1	310068116	PIWNEVIYDVXDMD-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)CC1(C)CCCC1	310220583	FXXSJKQLNLIYCL-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](O)CCC2CCCC2)C1	310449479	VGLHTKIIJKCKOW-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C[C@H](c1ccccc1)[C@H](O)CCC1CCCCC1	310697856	WLWJKGMJLVVXDG-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
CC(C)c1ccccc1[C@@]1(N)CCC[C@H](C)CC1	311238058	UZMDTIYGQVKSRW-WMLDXEAASA-N	245.410	4.564	0	10	BJAE	
C[C@H](C[C@@]1(C)CCC[C@@]1(C)O)C1CCCCC1	313103851	HZVJJPHJBTUQMP-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H](C2(CNC3CC3)CCCCC2)C1	317867962	HZXUSRGEJQDWAG-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H]1CCCc2ccccc2C1=O	319740757	SLZLZLRQPWCJKH-GUTXKFCHSA-N	244.378	4.504	0	10	BJAE	
CCN[C@H]([C@H](C)[C@@H](C)CC)C1(CC)CCCC1	319943361	BQOIPZJTGXNEMV-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@@H](CC1CCC(C)(C)CC1)NC	380077241	RKZIIFJCZHIPJH-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1[C@@H](N)C[C@@H](C)C(C)(C)C	384691052	WXZVOOXBYBWCIV-CJNGLKHVSA-N	247.426	4.711	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1C[C@@H]1CC(C)C	387713649	NGHIZLBKJWIZKL-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNCCCCC(C)C)C1	394580075	UYLMVVNBAWJBMB-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)Nc1cccc2ccsc12	395310947	HAOSECFBYFINCO-SNVBAGLBSA-N	219.353	4.502	0	10	BJAE	
CCc1cc(C(F)F)c2cc(S)sc2c1	396235259	FXKIQEYXTPVJNN-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](CC)[C@H]1CC1(C)C	397716373	WGBZKERYPHYPBN-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNCCCCC(C)C	401960928	NZPUOHLIYWSCIX-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(CC)c(NCC(C)(C)CC)c1	689509284	ZXRZUUBJKGCFNM-UHFFFAOYSA-N	233.399	4.660	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC12CCCC2	694405560	WDNZMFNDHVBGIY-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H](CC)C1CCCC1	695057857	BBDFFXXBWOVQBU-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H](C)c1ccc(C)cc1	695062516	REDXSIRKNHSHHN-WBVHZDCISA-N	247.426	4.513	0	10	BJAE	
CCC(C)(C)CCNc1ccccc1SC	696752612	RJTAKAYBLKDUHK-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CCC(C)(C)CC[C@@H](C)[C@H](NC)c1ccccc1	696801163	DZESVQGTHDAHNO-ZBFHGGJFSA-N	247.426	4.800	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1cc(C)cc(F)c1	697771610	MPHCRFZYUMLTKF-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCC(C)(CC)C(=O)c1cc2ccccc2s1	701392371	PACQXXVXYYPMAF-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@]1(C)CC1(C)C	702213461	GIOSEELPVRRPNL-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCc1cccc([C@](C)(N)CCC(C)(C)C)c1	704862596	OHDAESKNVXEQJE-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCC[C@](N)(CC1(C)CCCC1)C(C)(C)C	704887648	GHQOLNQMCLSCCI-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@](N)(C1CCC1)[C@H]1CCCC[C@@H]1CC	705364094	POBNAKUNVUGIKE-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(C[C@H](C)CC(C)(C)C)C1	709075583	DJUMSYAHDLZXFB-FMKPAKJESA-N	239.447	4.604	0	10	BJAE	
CC(C)NCC1(C[C@H](C)CC(C)(C)C)CCC1	709108942	UUVKZQIRWIAVDH-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(OC[C@H](C)CC(C)(C)C)c1	709110791	MBIRHZHWRRLEQQ-CYBMUJFWSA-N	234.383	4.755	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)[C@@]23CCCC[C@@H]2C3)C1	709151694	NHXRAPPDKIDJNI-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCCC1CCC1)c1cc(C)cc(C)c1	711171158	QEBACBOMAVHUAG-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H]1CC[C@@H](C)C1	713176065	UIOAQCWHHKTQOZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCN[C@@H](C)CCC(C)(C)C	718551522	RXENFJMHGGKGKC-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H](N[C@H](C1CCCC1)C1CC1)C1CCCC1	723963602	IJMUFBRATYHQQW-IAGOWNOFSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(Cl)c(N[C@@H]2CCC[C@@H]2C)cc1C	1181919683	ICBWHVLLEXUCPW-TVQRCGJNSA-N	237.774	4.557	0	10	BJAE	
C=C/C=C/CCN(CC)[C@H](CC)c1ccccc1	1459397738	JOJIFVDEXYFLJQ-IWAYRVGRSA-N	243.394	4.592	0	10	BJAE	
CCCC(CCC)NCC1(C)CCC(C)CC1	1560802651	ASZJUPKBYCQNTR-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCNCc1cccc(C(C)C)c1	1620808391	MBLNAEWRKGRFRK-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
CC(C)(C)[C@@H]1CCCN([C@@H]2C=CCCCCC2)C1	1645418412	YIHRHJYHHUCCRT-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CC(=CCCNC1CC1)CC1CCC(C)(C)CC1	1879519866	JQBHWQIIERZYJN-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCC(=O)C(C)(C)C1CCC1	1900698429	UYMPHNBKSBLIQR-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)c1ccc2ccc(Cl)cc2n1	1901885541	WWWWLOJLTBGSGV-UHFFFAOYSA-N	233.742	4.792	0	10	BJAE	
CCCCC1CC(Nc2cscc2CC)C1	1902380477	CKOJXKZREVHUDU-UHFFFAOYSA-N	237.412	4.691	0	10	BJAE	
CCC[C@H](C)C(=O)CC[C@H]1CCC(C)(C)C1	1903411872	OOHYYPMMCRSVOT-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)CC(=O)CCCC(C)(F)F	1905445518	LGIJEUHCPKLZJG-NSHDSACASA-N	234.330	4.597	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@@]12CCCC[C@@H]1C2	1909911908	XWSYFKRZVBZSAW-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CC(=C[C@H](C)C1CCCCC1)C[C@@H]1CCCCN1	1911851050	AGVAYBBNPWKHQE-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
O[C@@H](C1=CCCCCC1)C1CC2(CCCCC2)C1	1912724345	PJVGBZHKAXQZEP-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CCC[C@H](C)C2)C=CCCC1	1916561613	BEBFNZRKCFYIEO-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1CCCC[C@@H]1C	1919958674	JAGKGTWZBZLTBF-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCCC1CC([C@@H](C[C@H](C)CCC)NCC)C1	1921271045	ICLAMIASJWCGQP-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](N)[C@H](C)C1CCCCC1	1924117702	AMCUNTVYVTZHCK-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C1CCCCCC1	1924124089	HSYLYRZOWKRQCW-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@](CNC)(C[C@H]2C=CCCCC2)C1	1925802544	LWFSBGSVXHEBCW-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CC(=O)CC(C)(C)C(F)(F)CC	1926164799	NNUAXJCDWGGZMW-UHFFFAOYSA-N	248.357	4.843	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)c1sccc1C	1938537080	PDGZDPXFSNTPNG-STQMWFEESA-N	239.428	4.676	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CCC(C)(C)C)NCC	1941265565	WMWGXPAQMYMUSX-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1C[C@H](C)CC(N)(CCCCCC2CC2)C1	1941592313	SRLJLNJTCXCZJI-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
C[C@H](SCC1CCCCC1)c1ccc(N)cc1	1941749795	MPFSAMAQISVKDE-LBPRGKRZSA-N	249.423	4.643	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)CC(C)(C)C	1941813269	GBRYIUYKIJABHP-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)[C@@H]1CCCCC1(C)C	1942653685	STZXFOYQOORKML-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](C)(N)CC1CCCCC1	1942655777	KJBLHXRDMWKBFG-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CC[C@@]1(N)CC(C)(C)CC2(CC2)C1	1943082041	IOKURRYYXKDBBO-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC[C@]1(C[C@@H]2CCC[C@@H]2C)CCCCCN1	1944847837	YZFOQUZRTYQNMD-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@H]1CCC[C@@H]1C	1944889543	BDGPZGQQFRBNLE-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CCCCCCC1(O)C[C@@H]2CCCCC[C@H]2C1	1947842811	NCGWUFVMEBPEOG-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1[C@@H](C2(O)CCCCCCCCC2)[C@@H]1C	1947881912	UOGGAEBJIZUFOF-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H]1CC12CCCC2	1948075544	WDNSPXDDAVTCCB-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)C1=CCCCCC1	1948977851	SIQHTWZAXBSDTG-INIZCTEOSA-N	237.431	4.523	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)CC(C)(C)C(C)C)C1	1949004384	YAYNELWPVSFVNP-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CCC(C)=C(C)C	1949043929	RVPORRNDARJHDV-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
CCc1cccc(C)c1N[C@H](CC)CC1CC1	1950099540	HENYWLXGYYJMQB-OAHLLOKOSA-N	231.383	4.548	0	10	BJAE	
CC[C@H](C)CCNC[C@H]1CCCC(C)(C)CC1	1950918292	JFTJTGUVYIAQNZ-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)c1ccc(OCCC2(C)CC2)cc1	1968369621	XCSGXOKLBWROBE-ZDUSSCGKSA-N	232.367	4.769	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccc(C2CCC2)cc1	1969958459	JBDGNGVNAWAGAU-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CCC/C=C/CNCCCCCCC(C)C	1975485321	PCWBZIRBGNXRQK-UXBLZVDNSA-N	225.420	4.539	0	10	BJAE	
CCC(C)(C)CC(=O)CC(C(C)C)C(C)C	1988294923	HSWJFTURTGSQCO-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CC(C)[C@H](C)CC(=O)C1CCCCCCC1	1988296202	UKBXSMDYSXKPAO-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC(CCC)[C@H](N)c1cc(C)c(C)s1	1989984371	NTSGOBDRFQYPKZ-AWEZNQCLSA-N	239.428	4.581	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC(CC)CC	1995261740	HHZYWKIIERXANG-HIFRSBDPSA-N	227.436	4.747	0	10	BJAE	
CC(C)C(C)(C)c1nc(C2CCCC2)cs1	1995497887	GZFBSZDJTLUMTE-UHFFFAOYSA-N	237.412	4.734	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H](C)C1(C)CCCCC1	1995990407	HDXLVKKYHZAWSZ-GJZGRUSLSA-N	239.447	4.760	0	10	BJAE	
CC(C)c1ccc(NCC[C@@H](C)C(F)F)cc1	1996081282	QEKDCMNEMPTYAM-LLVKDONJSA-N	241.325	4.513	0	10	BJAE	
CC[C@H](CC(=O)C[C@H]1CC[C@H](C)C1)C(C)(C)C	1996230197	SIMFIEMALRWCRK-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@]2(C)CCCC2(C)C)C1	1997340317	FVEBUKGVJSPWSY-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CC=CCC1)C1CCCCC1	1997603780	IAGCZGFSEZCBJA-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@H](C[C@H]1CCC=CCCC1)NC	1999992068	DRUADJGCFSPXHP-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)C[C@@H]1CCC=CCCC1	2000005153	YMQPCQHSNLLWMW-HUUCEWRRSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@@H](C)CCC(C)C	2000377045	SGCGCZKDXLCPHH-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CNCC(C)C)CC1=CCCC1	2000518535	PKIJKLQYQXXUMI-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1(CF)CCC1	2001147774	GVQRAPIXQZZVNV-CYBMUJFWSA-N	242.378	4.548	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1(F)CCCCC1	2001388966	YFHBIKNXTSCRSH-CQSZACIVSA-N	243.410	4.594	0	10	BJAE	
CCC[C@H](C)[C@](C)(O)C1CCC(C(C)C)CC1	2002923233	DWPNVUIXPFEKHC-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@@H]1CCCC(C)(C)C1	2002993159	IUDMCGBAYZHSRT-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](C)NCCCC(C)(C)C)C1	2003013058	FAQZKVCEOFQLRP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CCCCCC[C@@H]1O	2003098615	HBHQHOCCBQIPOH-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)CCC2CCCCC2)CC1	2003104481	VRGQEQALBVLMGU-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC(F)F)C[C@@H]1CCCCCCC1=O	2003119876	XDVGNWAGZWPXNL-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
C[C@@H](CC(=O)[C@]1(C)C=CCCC1)CC(C)(C)C	2003333933	HZIVKKULRYQYDH-XJKSGUPXSA-N	236.399	4.764	0	10	BJAE	
CC1([C@@H](N)CCC2CCC2)CCCCCCC1	2004922314	GPCCGTIJZOOVJV-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCC(CCC)Nc1cnccc1C(C)C	2005890210	CYPBLXDNNLKBHK-UHFFFAOYSA-N	234.387	4.586	0	10	BJAE	
CC(C)CCCCCN[C@@H]1C=CCCC1(C)C	2006915465	WZZHXGUAWNGMJF-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC1CC(C[C@@]2(N)CCC[C@@H](CC)CC2)C1	2007747837	XLJQSHDALPCRJU-PRLABOORSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](CCCC(C)C)NCCC	2009617380	RWBHJYDCPYZYCM-YERXGYGTSA-N	239.447	4.927	0	10	BJAE	
CC(C)CCCCC[C@H]1C[C@H](N)CC(C)(C)C1	2012058846	KKNUIXBBVPMFLR-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCNC[C@](CC)(CCCC1(C)CC1)C(C)C	2012409221	FVFRZQSFQSXNBG-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)C[C@@H](C)CC(C)C	2013309970	VADNOYVYRKNXPP-HOTGVXAUSA-N	241.463	4.815	0	10	BJAE	
CCc1ccc(-c2ncc(C(C)C)s2)c(F)c1	2015035730	LFLPWASVEJBIEX-UHFFFAOYSA-N	249.354	4.635	0	10	BJAE	
CCC[C@@H](CCC(C(C)C)C(C)C)CNCC	2015344284	JICLHWBFCUMFAP-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CC(C)CNC[C@@H](CC(C)C)C[C@@H](C)C(C)C	2015403127	XPMFKVSQWLHSGB-CVEARBPZSA-N	241.463	4.577	0	10	BJAE	
CCC1(C[C@]2(O)CCC(C)(C)C[C@@H]2C)CCC1	2015594980	JWSBVSBLFMBURL-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@](C)(CCC)CNCC)CCC1	2015642940	WHKOQEGABKQASL-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C1(CC(C)C)CC1	2015755161	OCSPRSKFGRIPSZ-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CC[C@H]1C1CCC1	2017045808	IIJGQLUXEHLEMU-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](C[C@H]1CC[C@H](C)CC1)NC	2017721328	ANJWJPXBVASDFH-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@](N)(CC)CC2CC2)CC1	2017728729	OMOJNCMBBOXDEB-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CC[C@@H](NC)C(C)C)CC1	2017730148	DPMAHDLFKSINBB-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC1CCC(CC)CC1	2017776071	KNERYKQOECGQCI-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@@H]1CCCC2(CC2)C1	2017795236	ZINDOLITZUIOHK-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)c1ccccc1	2018137131	RXPPVWRXOSSTLO-HOCLYGCPSA-N	233.399	4.696	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC[C@@H](C)C(F)F	2018188452	SCVJTIDRQGHMTC-OLZOCXBDSA-N	249.389	4.568	0	10	BJAE	
CCC[C@@H](C)CN(C)C1CC(C)(C)C(C)(C)C1	2019291867	UBTUKPXREPIWPF-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CC2=CCCC2)CC1	2019777062	IKZOLCQMNCTYIS-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)[C@H]1C=CCC1	2023257589	QYKWTVALRBDYQO-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCCCC(C)(F)F)C(CC)CC	2023290867	VXDIJOOEVZJUDB-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCCC1CCC(C[C@@H](N)CC=C(C)C)CC1	2023326570	ZUONEXVZYKVFHH-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
C[C@@H](CC1CC(C)(C)CC(C)(C)C1)C[C@@H](C)O	2024120266	URDASXFRJMQMRH-CHWSQXEVSA-N	240.431	4.636	0	10	BJAE	
c1sc([C@@H]2CCC23CCC3)nc1C1CCCC1	2026599288	VQAGTEPULOVRON-LBPRGKRZSA-N	247.407	4.848	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)c1cc(C)co1	2027313945	KXLUYQBUILZDIK-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NC)c1cc(C)ccc1C	2028267268	ZAQKDIAPJDXXKZ-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CCCC(CCC)C(=O)c1cccc(C2CC2)c1	2028551295	DSFYSHUGXPMITP-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
Cc1ccccc1CCC(=O)[C@@H](C)CCC(C)C	2029838286	RUAGUSCOSZZNCV-HNNXBMFYSA-N	246.394	4.569	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)c1coc2ccccc12	2029838733	UBCAOSSCEPVYPU-MLGOLLRUSA-N	245.366	4.505	0	10	BJAE	
C1=C[C@H](NC2CCC3(CCC3)CC2)CCCCC1	2032185648	RHIUSXVANIICKW-HNNXBMFYSA-N	247.426	4.578	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CC[C@@H]2CCCC[C@@H]21	2034262851	KVUREFADAXHQEO-AEGPPILISA-N	247.357	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CCCCC23CCC3)C1	2035924658	KYGJMFYNIGXNPB-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@@H]1CC12CCCC2	2036088029	BIVDHQOZNCSKQH-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1c(C(=O)[C@H](C)CC(C)C)oc2ccccc12	2036374028	GUNCWLPVIGRKNW-LLVKDONJSA-N	244.334	4.606	0	10	BJAE	
NC1(C2=CCCCCC2)CCC(C2CCC2)CC1	2037100489	AHUYORLVFIDGFA-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)CCC1=CCCCC1	2037171060	BJXSTCQLDAXHRS-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
C[C@H](N[C@H]1CCCCC1(C)C)C12CCC(CC1)C2	2039866422	YJHUDARALYHTKF-BOLLXYOYSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@H]1CC[C@H](C)C1	2040144468	BRYPTKWLSMLCSF-JKQORVJESA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](CC2CC=CC2)NC)CC1	2041379313	KEXSTGPGHDNRPQ-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC=CCCC1)C1(C)CC1	2045322148	CBFQLVACASUCHW-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1C(=O)C[C@H]1CC12CCCCC2	2047052677	OYGVDRIFRWXJIJ-AWEZNQCLSA-N	242.362	4.538	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@@]1(C)CC=CCC1)C1CCCCC1	2047680225	AKKWMRZALPNTPD-UAGQMJEPSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H]1CCCCCC[C@@H]1C[C@@H]1C=CCCCC1	2049682021	RIJCUJHLTSOXFP-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC1CCC2(CC1)CC2	2049950359	GRNQZLZJKYBEEP-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCCCC(C)C)c1ccc(C)cc1	2050432771	YAMXEKRSGFJRMX-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CN[C@H](CC[C@@H](C)C(C)(C)C)c1cccc(C)c1	2050455914	LBLMQRABOSZQNI-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C1(C2CCC2)CC1	2051908974	PYNVAFINGAHROJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)C2[C@@H]3CCCC[C@@H]23)CCCCCCC1	2052477617	GWXWANQDYYFTFF-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@@H](C)Nc1ccc(CF)cc1	2055675696	XTEGXBUCBAFQPU-CYBMUJFWSA-N	243.325	4.638	0	10	BJAE	
CC1=C[C@H](N[C@@H](C)c2ccc(C(C)C)cc2)CC1	2055841110	KBNYYIAJRBHIIR-WMLDXEAASA-N	243.394	4.569	0	10	BJAE	
N[C@@H](CCC1CC(C2CCC2)C1)CC1CCCC1	2056639084	CVSUGQAOTLMQKW-PREGVCBESA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1=CCCCC1)C1CC(C2CCC2)C1	2056681560	CKZRGLTZLZHNSH-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H](CC=C1CCCC1)c1ccccc1C	2056878916	OJIOZIDPXVKOQA-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2CC(C3CC3)C2)CC1	2057833040	UWGODJVZOIZZHN-WLYUNCDWSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCCN[C@@H]1CCCC2(CCCCC2)C1	2059225966	UEJFOIKZEAIJQJ-WOMSROEHSA-N	249.442	4.825	0	10	BJAE	
CC=CCCC[C@@H](NC)C12CCC(CC1)C2(C)C	2059258483	HDWNWPLTAMSWOR-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)C2CCC(C)(C)CC2)CC1	2061098537	JOSCWDIJQZPDJI-XJKSGUPXSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@H](N)C2=CC[C@@H](C(C)(C)C)CC2)C1	2061114398	YBLBVDHOTNMSFF-DTZQCDIJSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CC[C@]12CCC[C@@H]1C2)C1(CC)CCC1	2061636695	DLKFVRVCIUGFTQ-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1NCC1CC(=C2CC2)C1	2061720846	NZICKNXLHFIAHE-UHFFFAOYSA-N	241.378	4.551	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC1(CNC(C)(C)C)CC=CC1	2062646728	OLEIMJNZTHVDEW-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC1(CC(=O)CC23CCC(CC2)CC3)CCCC1	2065280880	ZUZHZHGWVPHPNQ-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)CC12CCC(CC1)C2	2065301554	XGUZDTJQJUHZKQ-GULBITTBSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](N)CC23CCC(CC2)CC3)C1	2065309031	WWEGFZVSDZFNJH-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@@H]1CCC1(C)C	2068255964	WOKDFVPIVCUSDG-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)C[C@H]1CC12CCCCC2	2068270801	COULSKOTKPCQNU-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN(CC)c2ccc(C)cc2)CCC1	2069268615	UTKZRUUGIRYMEP-UHFFFAOYSA-N	245.410	4.792	0	10	BJAE	
CCCC1(CN(C)[C@H]2CCC3(CCC3)C2)CCC1	2069277903	BUWCUIPPOWUSNY-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@@H]2CC[C@@H]3CCCN[C@@H]3C2)CCC1	2069345475	VGQPJBBNWJNBGU-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@@H]1CC)C1=CCCCCCC1	2071503143	FNNGEMSKFUPMTL-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(CC(=O)C2CC3(CCC3)C2)CCC1	2071917929	PPGZVAJUZHKUMH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CCC1	2071926774	TWPXKGDPGMRWSD-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1(CC2CC2)CCC1	2072419806	OXSMLEQXEPIEOF-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@]2(N)C=CCC(C)(C)C2)CC1	2072819081	BXAOOMBHPWIIBV-VMBOVVBDSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1	2072869373	PTECFLAICGVFHP-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@]12CCCC[C@H]1C2	2074028326	GVUSCFPSMSIGCS-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H](N2CCCCC23CCCC3)C[C@H]1C	2074800119	RZKSXAUVGYIJJN-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCCN([C@H]2CCC23CCCCC3)CC1	2075013723	WWRXDGHQLNUJQY-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)C[C@H]1CCN1[C@H]1CCC12CCCCC2	2075016831	QDHDDKIHQGVALP-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CCCCCCN(C)Cc1cccc(C2CC2)c1	2075087323	YTWSOUDDWRZSLY-UHFFFAOYSA-N	245.410	4.576	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C)[C@H]2CC=CCC2)CC1	2075341806	QVKPUDIKRLFHTQ-ULQDDVLXSA-N	249.442	4.633	0	10	BJAE	
C1=C[C@H](N2CC[C@H]2C2CCCCCC2)CCCC1	2075404438	ZCJKYIUTTNQZEQ-IRXDYDNUSA-N	247.426	4.530	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H]2CCCC(C)(C)[C@@H]2N)CC1	2076394695	CZLFUXNSVQMLBF-VNQPRFMTSA-N	249.442	4.523	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@H](CC)c1ccccc1	2077189980	NKSCGKMTPBLONQ-IAGOWNOFSA-N	245.410	4.515	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CCC3(CC3)C2)cc1	2078346760	KQKPUYFJVDTHCH-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
CCCCC1(NC[C@H]2C[C@H]2C2CCCCC2)CC1	2079650534	KTBWFUFCIHMJBF-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2C[C@H]2C2CCCC2)CCCC1	2079732388	KRBAQTSPCJHRHT-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@H]1C[C@@H](N)c1ccccc1C(C)C	2079886666	PYJUOJJQWXNYKS-GRDNDAEWSA-N	245.410	4.636	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2081117103	AXCFYSFGMIUHNO-IXDOHACOSA-N	249.442	4.811	0	10	BJAE	
CCCNC[C@]1(CC=C2CCC2)CC[C@H](CC)C1	2081676048	FCQUYZQVYIHBQB-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)CCCCC23CC3)C1	2082977191	XDLMNSNCHFZLNO-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCc1ccc2[nH]c([C@]34CCCC[C@@H]3C4)cc2c1	2083313550	CQGLSKXXPPDBOK-PBHICJAKSA-N	239.362	4.562	0	10	BJAE	
CC1(C)C[C@@](N)(C[C@H]2CCCC3(CC3)C2)C1(C)C	2084339905	DEHOAOAMZMBONY-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CCN[C@H]2CCCC3(CCC3)C2)C1	2084913045	QOVPNCHMUIFYNU-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CC[C@@H](C(C)C)C1	2085313874	MAMZSPCVDUIPCU-UKRRQHHQSA-N	249.373	4.625	0	10	BJAE	
Cc1cc(Cl)cc(OC[C@H](C)C(C)(C)C)c1	2212533642	UJYUESCTKRTDKF-NSHDSACASA-N	240.774	4.709	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC)CCCC(C)C	2212597959	RPVCHRSRYFPOQD-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CNC1CCC(CCCCCCC2CC2)CC1	2213577187	ZBASRVUQKVSCHY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Fc1ccc(Cl)cc1C/C=C/c1ccccc1	2213823571	VDLUOPJTVLGCBL-QPJJXVBHSA-N	246.712	4.735	0	10	BJAE	
CCCC1([C@H](CCCCC2CC2)NCC)CC1	2214569742	OHYFBWFQUFGNKL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@H]1CC1(N)CCCCCCCCC1	2215085958	VKAJFWRYMZSDOF-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC[C@H]2C[C@H]2CC)CC1	2215236508	KCMXLZRHPUBZLM-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2(C)CC(C)(C)C2)C1	2215383903	COQVHBPPGXAPIB-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCCC1CC(N)(CC2(C)CC(C)(C)C2)C1	2215393363	BOCWADXTGDJJSM-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218309823	PFQDDHUPKPYRAN-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1C[C@@H]2CCC[C@@H]21	2218732394	RAVOEOONMNHIEZ-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CC[C@H]1CC2CCC1CC2)C1CCCCC1	2220296798	OBKUPVFPIPEYKY-LCSXWQTCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CCC3(CCCC3)C2)C1	2221038104	FHYIZSMXQRKIDW-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CC1(C)CC2(CCC2)C1	2221040316	NNKLDJFLUHFRNM-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@]1(C)CC=C(C)CC1	2221614230	UUAAVZGQRBFCPR-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)[C@]1(C)CC=C(C)CC1	2221618665	KAEZBDYCAAYBHB-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](N[C@H](C)[C@@H]2CCCC(C)(C)C2)CC1	2221669446	XJZNMOQFDXLMSV-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
CCC[C@](CC)(CN[C@H](C)CC)c1ccccc1	2223558441	MQEJRBDINFAZBV-NVXWUHKLSA-N	247.426	4.523	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC2CCCC2)C=CCCC1	2223596667	QGSFBYJRKNBWQJ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CC(C)(C)C2)C=CCCC1	2223600111	LJTBZRFYCIRIBB-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)c1cccc2ccoc12	2224197651	HTZBPHHNPKXQNN-FZMZJTMJSA-N	246.350	4.539	0	10	BJAE	
Cc1ccc(C)n1C(C(C)(C)C)C(C)(C)C	2243358887	HFFDNDIVFFPYBQ-UHFFFAOYSA-N	221.388	4.738	0	10	BJAE	
CCCC(C)(C)C(=O)c1c(C)sc(C)c1C	2243606941	QHVAIECIIKOMFQ-UHFFFAOYSA-N	238.396	4.682	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1(CCC)CCC1	2244783354	PKLDTHXYAXRYIU-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CC[C@H](CC[C@H](C)CCCC(C)C)[C@@H](C)N	2244845922	WCGCMHITLJFSEC-RBSFLKMASA-N	227.436	4.602	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H]1CCCCC12CC2	2246614907	PHCORARBPUBNLW-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
C[C@H]([C@H](N)CC[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	2246659839	LFYACRMUXXEJOU-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CC[C@H]1CCC[C@@H](C)C1	2246664593	PREBKPOFBSMTNJ-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCC[C@H]1CCC[C@@H](C)C1	2246687065	LRFGTTHPBUEDBZ-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CC[C@@H]1CCC[C@@H](C)C1	2246694847	RRLFRAVLADHMSV-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)CCC2CCC2)C1	2246724282	DGUPPUVPCCQVQP-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCCCC[C@@H]1C[C@H]1C	2247121504	IAASPNXCNAOVDJ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@@]1(O)CCCCC[C@H]1C[C@H]1C	2248870396	MBDHJRMDHZVUHY-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1CCC=CCC1)NC	2250352089	JHRGFIZLJKVBDS-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC[C@H]1CCCC12CC2	2250384326	AUQMRNPOGMRUIG-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC(C)=C[C@@](C)(N)CC[C@@H](C)CCCC(C)C	2250482339	TXYRGTSIRRMHCI-HOTGVXAUSA-N	239.447	4.913	0	10	BJAE	
CC(C)=C(F)CNCC[C@H](C)CCCC(C)C	2250493953	SDNGVNCRBNFMAR-CQSZACIVSA-N	243.410	4.692	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1(O)CC(C)(C)C1	2250494896	YGSWTRGZHWTKPG-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@@]12CCC[C@H]1CC2	2251195448	LTBJYBRRURYJAY-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)C1CC(CC(C)(C)C)C1	2251532674	ZTVOYBKNIPDJBQ-XSCHDIRWSA-N	240.431	4.636	0	10	BJAE	
CC=CCCC[C@@H]1[C@H](O)C(C)(C)CCC1(C)C	2251725264	UTADUPGCCKQAAR-KGLIPLIRSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@H]1CCC[C@H](C)C1	2252634723	KGBGDNFAWAQXDX-HOTGVXAUSA-N	239.447	4.569	0	10	BJAE	
Cc1cc(CC2CC(=C3CCC3)C2)cc(C)c1F	2253511561	FOZBCSSBOZBNKV-UHFFFAOYSA-N	244.353	4.876	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)CC1CC2(CCC2)C1	2254567622	AGMIYMHVMWQCGY-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)[C@]1(CNC2CCC2)CCC12CCC2	2254863140	SEFXVXBIMVTFSB-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C[C@@H]2CCC23CCC3)C1	2255009762	PYKIDLSZEPYVTE-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC(C)(NCC[C@H]1CCCC12CC2)C1CCCC1	2255323612	PUBYWLBITWOARL-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C[C@H]2CCCC23CC3)C1	2255327105	POPONOZATRVORX-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(NCC[C@H]2CCCC23CC3)c1	2255330215	KMFZOECHGKVFPJ-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
CCc1cccc(NC(C(C)(C)C)C(C)(C)C)n1	2255432761	BDEHFSMYVJDONM-UHFFFAOYSA-N	248.414	4.517	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@@H]1C[C@H]2C[C@H]2C1	2257304420	RCFAYXGBKMVYNP-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@H]2CC[C@H](F)C2)c1	2257959162	GXKCXELHQRNEPV-JSGCOSHPSA-N	249.373	4.534	0	10	BJAE	
C[C@H]1CCC[C@H]1CNc1cccc(C(C)(C)C)c1	2257963112	RZDCKYCBURUGEB-KBPBESRZSA-N	245.410	4.832	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)c1coc2ccccc12	2259442754	JGAHOWIPRVRFMC-BLLLJJGKSA-N	245.366	4.520	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cc2cccc(C)c2o1	2259445904	XODHKFTXFJOVLY-IUODEOHRSA-N	246.350	4.601	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CC1(C)CC(C)(C)C1)C2	2259584285	UXHHATMAWLGGEL-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)[C@]1(O)CCCCCC1(C)C	2298861482	MIYHBSLFTCNTHC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCN(C)[C@H](CC)C1CCCC1	2300683668	MBXUMEFAKAVKJG-MRXNPFEDSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H](CC)C[C@@H](NC)C1	2300689518	YRVXWBRUKGCBKA-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC(C)C)CCC1(C)C	2300864804	FOZJZAOPZGGJMN-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@H](O)[C@@H]1CCCC(C)(C)CC1	2300877151	OAYPKYKHWWNSSD-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H](CCC)CC(C)C	2300881032	OALLVACRARJHAG-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CN[C@H](CC=C(C)CCCC(C)C)C1CCC1	2300938356	XIBAMLSOEVXMKZ-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@](C)(N)C1(C)CCCCC1	2301829826	SLHKTJADQSPFLG-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC(C)=C(C)C1)C(C)C	2303580242	RXLUMFDLNUTGCE-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CC[C@H]1CCC(C)=C(C)C1)CC(C)C	2303585863	YFIHCTUCYRJKNZ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@@H]2C[C@@H]3CCCC[C@@H]32)n1	2307694110	MXILQCXEVFOLHJ-QNWJLWSRSA-N	247.407	4.560	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)C(C)(C)C(C)(C)C	2307904583	UAHBYCCXQQHQBY-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC1(N)C[C@@H]2CCCCC[C@H]2C1	2308364193	PRJXNTCBXRJWBH-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311609779	OQSWWQAUPFIZAO-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](C[C@@H]2C[C@H]2C2CCCC2)C1	2311610367	ODSFYNXZHOJWFD-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2	2312900086	NXEOFULVQATUPL-XTJKPPFFSA-N	249.442	4.537	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313189996	FBPRRWUUUCIXBP-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@@]12CCCC[C@@H]1CC2	2313292366	NNNHEWIHNMGRHV-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
O=C(C[C@H]1C[C@H]2C=C[C@H]1CCC2)C1CCCCC1	2317157648	QGJOTHLDZHDZIM-IIAWOOMASA-N	246.394	4.518	0	10	BJAE	
CC(=O)[C@H](CC(C)(C)Cc1ccccc1)C(C)C	2317283099	JGMRGWJRKNGSAY-MRXNPFEDSA-N	246.394	4.507	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1	2317934767	VQTFDIMPAOGYDB-OWCLPIDISA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H]1[C@@H](C)CC[C@H]1CCCC1=CCCCC1	2318572796	KDZJOQRVDBVSLU-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1CC[C@@H]1C[C@@H]1C1CCCCC1	2318797395	UJEUKAVBMSTZSM-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CC1CC2(CCCC2)C1	2318928334	BQKIGNDUXLRVFE-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](C[C@]2(CN)CCC=CCCC2)C1	2319073649	PATKQNGILATHJJ-WBVHZDCISA-N	249.442	4.668	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@@H]1CC[C@H]1C1CC1	2319547219	ZIASFVZWOFKIRI-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NCC[C@H]2CC[C@H]2C2CC2)c(C)c1	2319737455	ATCLJQCZINXHHM-CVEARBPZSA-N	243.394	4.542	0	10	BJAE	
CC1=C(C)C[C@@H](CNCCC2CCCCC2)CC1	2320268534	QQHABSPWLWZCBQ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@@H]1CC12CCCC2	2320314598	YSOOSIOZDJRTRS-MJBXVCDLSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CN2CCC[C@H]2CC(C)C)CC1	2320338386	VCMBEBHQFVGWFQ-SJORKVTESA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CCC3(CC3)C2)CC1	2320410924	HFFKEERLYIUBAM-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CNC23CCCCC3)C1	2321632045	QYZWTQDHJICXFO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@@H]3CCCC[C@@H]3C)(C1)C2	2321643471	XQMMDIGSVAEJEA-HOBHPSKFSA-N	248.410	4.598	0	10	BJAE	
Cc1coc(C)c1[C@@H](N)CC[C@H]1CCC(C)(C)C1	2321651213	XBRZYOOFPASMQK-KBPBESRZSA-N	249.398	4.503	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CC[C@H]3CC[C@H]2C3)C1	2321652089	SUFASJAXEMLEGV-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CNCC1(C2=CCCCC2)CC(C)(C(C)(C)C)C1	2327161912	ZKYJFZJNDCRJGO-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1C[C@@H]1[C@@H](N)c1cc(C)ccc1C(C)C	2327706651	BVFNPLLYNPTTEC-JLJPHGGASA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1cc2ccccc2o1	2328212027	CYVBJVSAHQHPMB-TZMCWYRMSA-N	246.350	4.683	0	10	BJAE	
Cc1ccc2[nH]c(-c3ccc(C)c(C)c3)cc2c1	1519642	GYKPZIOCFQNRHY-UHFFFAOYSA-N	235.330	4.760	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccccc1C(C)C	19993716	VRZCYUWQFPETOU-OLZOCXBDSA-N	219.372	4.657	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@H](C)CC(C)(C)C2)c1C	20556388	QDJRIFQEPJPQPA-WFASDCNBSA-N	245.410	4.930	0	10	BJAE	
CN[C@@H](CCC1CCCC1)c1ccc(C)c(C)c1	35457490	YGFIUDHCTHQMDP-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCC[C@@H](C)CN[C@@H](c1ccccc1)C(C)(C)C	36994494	RMGMBRDWJSEPDB-ZBFHGGJFSA-N	247.426	4.800	0	10	BJAE	
CC[C@H](N[C@H](C)c1ccc(C(C)C)cc1)C(C)C	37295347	FBRNQOHDMNQYEA-PBHICJAKSA-N	247.426	4.895	0	10	BJAE	
Cc1cccc([C@H](C)Nc2ccc(C)cc2C)c1	37509710	BFVYOZNNFDSOKA-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCc1[nH]c2ccccc2c1[C@@H]1C=CCCC1	39102579	FFIKDSMZIRRQCX-GFCCVEGCSA-N	225.335	4.554	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCC(C)(C)C1	70683062	OIVCAOAXJNTUGL-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1c(C)cc(C)cc1C	71161084	WOVKHGRBFQJAGI-CVEARBPZSA-N	245.410	4.993	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@]2(N)CCCC(C)(C)C2)C1	79972741	LQTFWVWBSNCVNN-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCc1ccc2c(c1)[nH]c1ccc(Cl)cc12	82217699	MVPBNCKQNLUXLA-UHFFFAOYSA-N	229.710	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](NCCC2CCCCC2)CC1	86887782	RDGXBJGVONPRMS-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)C1CCCCCC1	87947858	VQNJGPFAHSOLSW-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC([C@@H](N)C[C@@H](C)CCC)CC1	87962964	XHESOHDXNZMYIR-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
c1ccc(-c2ccccc2NCC2CCC2)cc1	88133087	WZIMKORXOOSZRS-UHFFFAOYSA-N	237.346	4.566	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Sc2cccc(N)c2C)C1	91941374	IRHSBRYIHIXUAC-CHWSQXEVSA-N	249.423	4.638	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1ccc(C)c(C)c1	93074315	CRPIZBUBEOGKRH-MRXNPFEDSA-N	233.399	4.533	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)C(C)(C)CC)cc1	104007469	KOVGXPBAJHGHBX-IUODEOHRSA-N	233.399	4.636	0	10	BJAE	
CCCc1ccc(-c2c(N)sc(C)c2C)cc1	105555280	ZIMDBWHNKJJVFY-UHFFFAOYSA-N	245.391	4.567	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)(C)C)C1=CCCCC1	110228490	KCHJKKVBIKYPGU-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](NCCC)[C@H](CC)CCCC	124646505	GKDLTSIWEMAZBT-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
C[C@H](C[C@H](N)CCC(C)(C)C)CC(C)(C)C	126729169	FABKWTYTCNJBTA-CHWSQXEVSA-N	227.436	4.602	0	10	BJAE	
CC(C)NC[C@@H](CCC(C)(C)C)C1CCCC1	128267382	NNWMQISMLJNGOE-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)[C@@H](NC)c1ccccc1	128425292	SLUOJKRPSDZWDS-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CCCN[C@@H](CCCC(CC)CC)C(C)C	128641815	RIJIZZDFZSFMOX-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)C(=O)CCCCC1CCCCC1	149043505	PJDQKDASBPOIJX-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)c1ccccc1CC	162192641	PAHUACSVWSKMNL-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](CCCC(C)C)NC)C1	165893181	JLKCWCHALZRFGX-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C1CCCCC1)C1(CC)CCCC1	167104186	MYSZVUHFPPBJQK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CC(=O)CC1CCCCCC1	168020501	HNBILLWYYKVWDE-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCC[C@@H]1C(C)C	214465799	UCPWWAQRARXMNS-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)c1ccccc1C1CCC1	226800948	YDONSHREBWMZBI-JSGCOSHPSA-N	242.362	4.573	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@]2(N)CCCC(C)(C)C2)C1	226900860	LQTFWVWBSNCVNN-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CC[C@@H](C)C1	227379732	QBFYKLNNOIYFAX-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
Clc1cccc(N[C@H]2CCC23CCCCC3)c1	230161504	AMMAFKXTNOGSHD-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
CC(C)(C)C[C@H](NCC1(C)CC1)c1ccccc1	232497196	PTOKJWLRXYSGKE-HNNXBMFYSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1scc(C)c1Cl	233335886	NOGJYSBGZFRAIY-WPRPVWTQSA-N	245.819	4.536	0	10	BJAE	
CC[C@H]1CCC[C@H](c2ccc3c(c2)NCCC3)C1	234102240	KWRUSLPAQFQEIR-ZFWWWQNUSA-N	243.394	4.729	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1[C@@H](C)CCC[C@H]1C	250841280	XVQKMAGDYWOSMJ-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](CC)C[C@H](C)CC	251253602	BYLHCSDUNSTNEV-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CC[C@H](CC)[C@H]1C	251389573	SZTUBEPDOWCGGH-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
C=C(C)c1cc(Cl)cc([C@@H](CC#N)C2CC2)c1	260709598	UQRKFIBVOJHBNK-HNNXBMFYSA-N	245.753	4.780	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccc(CC)c(CC)c1	302292218	CXDCBZWIKJSETR-GUYCJALGSA-N	248.410	4.671	0	10	BJAE	
Cc1ccccc1NCC1CCCCCCC1	302293551	LOEUOKKAOGBDBF-UHFFFAOYSA-N	231.383	4.767	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)C(C(C)C)C(C)C	302592294	UOUXKQPXNBHKRN-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CCCCCC[C@@H](NCC)c1cc(C)c(C)o1	305934716	ABAVXPMQJDYCJC-CQSZACIVSA-N	237.387	4.517	0	10	BJAE	
Cc1ccc(Cl)c2c(C(F)F)csc12	306618827	SQEMOJBNYXAHLU-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](CC1(CC)CCC1)NC	308100792	RJNVXYQMTFCQJL-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)C(=O)c1sc(C)cc1CC	309348111	MPOWVXDBIBDGPK-JTQLQIEISA-N	238.396	4.628	0	10	BJAE	
CC1(C)CCC(CN)(C2CCCCCC2)CC1	310256789	AXFDRXREZBMCQO-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1nccc2ccsc12	310371944	XPBZVPBLZAVTDD-LLVKDONJSA-N	248.395	4.533	0	10	BJAE	
CCC(C)(C)c1csc(-c2ccc(C)cc2)n1	310509468	JVOWTBQZWGBTPW-UHFFFAOYSA-N	245.391	4.806	0	10	BJAE	
Cc1cccc([C@H]2C[C@H](C)c3ccccc3N2)c1	310754165	IZDVPKASRFHBCS-SUMWQHHRSA-N	237.346	4.655	0	10	BJAE	
CCCNC[C@@]1(C(CC)CC)CCC[C@H](C)C1	317438400	XMVRSMBGEHJZGO-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C(C)(C)C2CCC2)C1	322901287	CSQVAZCNHLFQMS-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H](CC)CC1)C1CCC1	324621352	CIGANLNECFIJGY-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CCCCCCCC(C)C)C1CC1	383081391	AGBBPCYHRFESLL-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)CCCC2(C)C)CC1	383511308	LJYUINJLVNKZQU-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)CC(C)(C)C)cc1C	384423162	APODOHBIJANMDA-HUUCEWRRSA-N	247.426	4.779	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)CC(C)(C)C)c(C)c1	384899714	NEBWYUWZGWXIRY-CQSZACIVSA-N	233.399	4.848	0	10	BJAE	
O[C@@]1(C2=CCCCCCC2)CCCC12CCCC2	385624839	RDHSPUZEPCFZCC-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](Nc1cscc1C)c1ccccc1F	387221729	SRJHQNBWWNCQEE-ZDUSSCGKSA-N	249.354	4.759	0	10	BJAE	
Clc1sccc1NCC1CCCCCC1	387276975	UTXYGAUIKDXVOE-UHFFFAOYSA-N	243.803	4.784	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1Nc1ccsc1Cl	387306051	ZKJIFNLKHAOHAD-RKDXNWHRSA-N	243.803	4.638	0	10	BJAE	
CC[C@](O)(CCCCCC(C)C)C1CCCC1	387495475	DVAUASMWBZYMMH-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCC1(C)CCCCC1	394593269	MODYAJLWNQWTAZ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCC1(C)CCCCCC1	394658236	RBZFGQCVKCMCNX-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCc1cc2c(C(F)F)cc(F)cc2s1	396204292	XARWSGAGTCLXKU-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cc2c(C(F)F)ccc(C)c2s1	396211131	ABXXUFXSMAFZKT-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1csc2ccc(C(F)F)c(S)c12	396233739	CIURQUJBSJSXIH-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C1CC1)c1ccccc1	405713911	LIUYPEYNOOSTSJ-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCCC1CCC(C(=O)CCCC2CC2)CC1	405999487	MRWRYJUOGXSTQV-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(C)c(NCCC(C)(C)C2CC2)c1	406070082	NISWMXWHJVYMSZ-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@H](C)C(C)(C)C)c1	688972588	ZKHZBAARWLYBNS-BBRMVZONSA-N	248.410	4.916	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CCCC3(CC3)C2)C1	695916914	MENJHPBISNMWLA-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@H](C)CC(C)C	696186783	OPTBOSIYYKYFOA-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)CCC(C)(C)CC	696637105	XIVGOADHVLLFTP-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(N)CCC12CCCCC2	705250750	FWXLHPZLWUVGGP-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCC23CCCCC3)C1	705265492	JZPSPVLWFYFCQG-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@H](C[C@H](C)CC(C)(C)C)C1	709110874	ZRUTYFLBVHSREV-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cncc(Cl)c1	709214070	BHSJNROFQXEECS-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)c1ccc(C(C)C)cc1	710206561	XIESNBALPUBUEZ-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1sccc1Cl	718699158	JBJWTTJFEUBJIJ-LLVKDONJSA-N	244.787	4.571	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1cccc2ccsc12	723148169	BYELGXXFHVAIFT-JQWIXIFHSA-N	244.359	4.520	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H]1CC1(C)C)NCCC	723178062	JLKGXOMAENESDD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cccc2ccsc12	829239201	DPIUMEHLIXGXPK-ZDUSSCGKSA-N	248.391	4.761	0	10	BJAE	
Cc1ccccc1[C@H](C)Sc1ccccc1	1164575260	AEEPSLDUGWTBKH-ZDUSSCGKSA-N	228.360	4.848	0	10	BJAE	
CC(C)=CCCN(CC(C)C)c1ccccc1	1170127284	HJDDACBKJABSND-UHFFFAOYSA-N	231.383	4.505	0	10	BJAE	
C1CCCC(CCN2CCC[C@@H]3CCC[C@H]32)CC1	1307477570	CQQQSTUCTOHSFQ-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
C[C@@H](SCC(C)(C)C)c1ccccc1F	1652835098	GSVGWKFGBXQVPC-SNVBAGLBSA-N	226.360	4.666	0	10	BJAE	
C[C@H](CN(C)[C@H]1CCCC[C@H]1C)CC(C)(C)C	1653292856	KTUGBQKOOIVYRQ-ZNMIVQPWSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCC=Cc1ccccc1	1877171543	ZQJWNJZGMXIJJB-NVXWUHKLSA-N	245.410	4.504	0	10	BJAE	
CC(=CCl)CNc1ccccc1C(C)(C)C	1889824324	GHYQXQAFRLUIJI-UHFFFAOYSA-N	237.774	4.539	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H](C)CC1CCC1	1899366741	BUSWTUMAKLHGEH-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC[C@](O)(CCC(CC)CC)C1CCC1	1900703834	UHCMJEFDZHIPAU-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC(=CC[C@@H](N)CC(C)C)CCCC(C)C	1900859722	VSHKUPSZLSDDDM-OAHLLOKOSA-N	225.420	4.523	0	10	BJAE	
C=CC=CCCC[C@@H](CC)CC(F)(F)F	1911777439	BAAGNMMVVVHMAQ-LLVKDONJSA-N	220.278	4.878	0	10	BJAE	
CCC=CCN[C@H](C)c1cc2ccccc2s1	1911849999	JPJABISSTAOTAN-GFCCVEGCSA-N	245.391	4.518	0	10	BJAE	
CC=CC[C@H](CC)c1ccc(C)c(C)c1	1911966595	GJJCQFAGOVGTFQ-AWEZNQCLSA-N	202.341	4.763	0	10	BJAE	
CC(C)(C)CC[C@H]1CCCCCCCC[C@H]1N	1913402089	CIMIZWMARJSLET-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CC1CC(C)C1	1925132544	SRIWQQIBLXQXTR-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
C[C@H](NC[C@H]1C=CCCCC1)C1CCCCCC1	1925942451	JEUHEHSQCKUORD-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Clc1ccc(CC[C@H]2C=CCC2)c(Cl)c1	1932592024	FJBYMRATFYUBCX-JTQLQIEISA-N	241.161	4.892	0	10	BJAE	
C[C@@H](CC[C@@H]1C=CCCC1)CC(F)(F)F	1932599364	UAFIJDJKODIGIK-WDEREUQCSA-N	220.278	4.711	0	10	BJAE	
CC[C@@H](C)c1csc(C2CC(C)(C)C2)n1	1933281930	FBIPZGHTWDSSTC-SECBINFHSA-N	223.385	4.560	0	10	BJAE	
CCCC(CCC)[C@@H](NC)c1cc(C)cs1	1939447612	WGMPQVSGZRNKFL-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCC[C@@H](C)CC1	1939896725	ZUGCWSZRWKYNML-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CC1CCC(C(=O)CC2(C)CCCCC2)CC1	1940378929	LVTRPNGBISIYJO-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)c1ccc(C2CC2)s1	1940865239	WXOFTQPALMBMRS-LLVKDONJSA-N	248.391	4.635	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1csc2ccccc12	1941242846	GZFKTSFVLXGQBW-XHDPSFHLSA-N	248.391	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NCC)C(C)(CC)CC	1941274122	WNGIMRVRWIPMAR-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CCCCCC1CC1)CC1CC1	1941584558	ARFGZUMWSGTAMZ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@@H]1CCC1(C)C	1945747315	IJCBOUZDRNVOHW-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc(C)c(C)c1	1947457332	FKTOSRWTXUUMAQ-ZBFHGGJFSA-N	231.383	4.684	0	10	BJAE	
CCCN[C@@H](CC)C1CCCCCCCCC1	1947878426	ICOPIYSFQPAKHE-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@]1(CC)CC1(F)F	1948109191	MAHJAUDMIUBQFL-DGCLKSJQSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CCC[C@H]1C)NCCC	1948424910	HQUZVVGMIYLYJH-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCCCC1CCC1)CC(C)C	1948850141	PHOMJGKKWSQIBV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1cc(C)cc(C)c1	1948944941	AQBIEBLSAHBLEU-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
Cc1csc(C(=O)C2CC3(CCCCC3)C2)c1	1950212165	KYOICVCKRFJNBZ-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](O)CC2CCCC2)CC1	1950912963	CNCMDKNFZZWQDO-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)[C@H]2CCCC(C)(C)CC2)C1	1950915064	WWLFRWKBHPWRPO-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CCCC(C)(C)C	1950968257	IAXMOMVREKMFIS-KKUMJFAQSA-N	237.431	4.523	0	10	BJAE	
CCC=CC[C@H](CCC)c1ccc(O)c(C)c1	1951309100	UWUHDJZPQZVXQO-AWEZNQCLSA-N	232.367	4.941	0	10	BJAE	
CC(C)=C(C)CCC1[C@H]2CCCCC[C@H]12	1960871807	LMHPQXNNRFORQR-KBPBESRZSA-N	206.373	4.949	0	10	BJAE	
Cc1ccc([C@H](C)NCCCCCC2CC2)cc1	1966144990	QDSFSZHNVNIAOZ-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
C[C@H](CN1[C@@H](C)C[C@@H](C)C[C@H]1C)CC(C)(C)C	1966567869	PFBASYAIUOTXGF-XQLPTFJDSA-N	239.447	4.568	0	10	BJAE	
Fc1ccc(NC2C[C@H]3CCCCC[C@@H]3C2)cc1	1968254566	JKNJJRZDLYDKQT-CHWSQXEVSA-N	247.357	4.597	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2CCCC(C)(C)C2)c1	1968307035	CJVLNELXBCCKLY-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
CCCc1ccc(N[C@@H](C)C2(C)CCC2)cc1	1968407425	BQDBCGFHOILUDG-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1N[C@@H]1CCCC2(CCC2)C1	1970487371	LIQSHHNYHDUTKF-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCCCN1C[C@@H]1CCCC2(CC2)C1	1970603158	AIIDONZAGNEYPG-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC1(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)CCCCC1	1970680128	MJEBAGWCFWNJGP-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCCCCC(=O)[C@H]1CCC[C@H](CC)CC1	1976343008	RXOFBQHQSHYSLT-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCCC[C@H]1CC	1978423279	MEHVGQQPXJHJKW-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CC=CC[C@@](C)(CCCC)CNC(C)(C)C	1978654888	ONQXABISYDGVRV-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCNC[C@](C)(CCC)CCC=C(C)C	1978654943	PCGUOMGOHAGFQR-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCCCCCC[C@H]1O	1980352663	VZXHYYLGMINWBQ-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1cc(C)sc1C	1985604927	NFGJFEVFFIIZHQ-CYBMUJFWSA-N	240.412	4.615	0	10	BJAE	
CCCC1CCC(C[C@@](C)(N)CCC)CC1	1989813415	BODXFABXKGZCHE-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H](N)CC2CCCCCC2)C1	1996248525	WAMCPSONHAGDTE-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@H]1CC[C@@H](C)C1)C(C)(C)C	1996264021	CHLJLQGKSACBLA-LXTVHRRPSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2CC(C)C2)CC1	1997116144	JGVBDSQLWIHUFS-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CC1(CCCC(=O)C2(C)CCCCCC2)CC1	2000214181	WTDQNLCGCSJDFD-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC1([C@H](CCCC(C)(C)C)NC)CCC1	2000335490	YPTOIYLMEWPIMG-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC=CCCN[C@H](C)C1CCC(CCC)CC1	2002924167	FWRRYDSACJSMBC-QQFBHYJXSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2003020820	PBRXIVYSKNZGHW-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCC[C@@H]1N)CC(C)(C)C	2003095474	OCWFDTNKTISDKU-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@@H]1CC1CCCC1	2003102997	ZXEFPUBXSIWBGE-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1CCCCCCC[C@H]1N	2003106465	RJLZWLONIJOBBI-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC1(C[C@@H](O)CCC[C@H]2CC2(C)C)CCCC1	2003179034	KCIUTKUKVQRONX-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC)C[C@@H]1CC=C(C)C	2004228183	OGQRFHIVEXSLOJ-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@H](C)C2CC2)CC1	2004347827	YXUPBRCMTVYXPQ-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CNC[C@@]1(C)C=CCCC1	2004718003	JWAULKRCYXCHOB-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)CCCCC12CC2	2005536962	QDGDCBDJPZTUOK-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](Nc1ccc(CF)cc1)C1CCCC1	2007028821	XPBYEDOWHWYACH-OAHLLOKOSA-N	235.346	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)C1(C)CCC(C)CC1	2007695785	WMXTZMIXIXLBFM-LVDPKSTMSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H]1NCCC1(CC(C)C)CC(C)C	2009769271	FXNFQCOOQPSZNT-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CC(N)(C2=CCCCCCC2)C1	2009787041	NFZFGUNYCMKAMI-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
Clc1ccc(N[C@H]2CCCCCC23CC3)cc1	2011270837	DVAXEXLJMABHQN-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCCCCC12CC2	2011279339	XZFGCBKMFOMNHW-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CC3(CC3)C2)cc1Cl	2012414307	XBLHTPOLRCHDGG-LLVKDONJSA-N	249.785	4.639	0	10	BJAE	
CCC1CCC([C@@](C)(O)C2(C)CCCC2)CC1	2014327387	XYDGHRHHGSIXQB-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](CC(C(C)C)C(C)C)NC	2015285205	UPJJGKCDUIHYCE-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCNCC(C)(C)CCCC(C(C)C)C(C)C	2015391735	FQIKAZQVMGXLBA-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CCCNC[C@](CC)(C[C@H](C)C(C)C)C(C)C	2015403087	YQIWZNWGCXBHRC-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@]2(C)C[C@@H]2C)CC1	2016417253	IJWZIXXBCJIHBY-FQLMCAECSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(C[C@@H](C)c2ccc(N)cc2)CCC1	2017138023	FNVXYXCDQVDWAY-CYBMUJFWSA-N	231.383	4.589	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1(C(C)(C)C)CCC1	2017150669	PDNISNHVVOCNLZ-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@H](N[C@@]2(C)CCCC(C)(C)C2)C1	2017622379	IHOALZAISPZOGL-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(CO)CCCC2)CC1	2017713719	BQGPGHQPQWRGGG-SHTZXODSSA-N	238.415	4.536	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)CC1=CCCCC1	2017735783	HLMGBGRKWSFQBH-ZIAGYGMSSA-N	237.431	4.680	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)C2(C)CCC2)CC1	2017775880	HZCSCHZNCAIBHA-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CN[C@H]1[C@@H](CCC(C)=C(C)C)CCCC1(C)C	2020360452	GGWXCRZWULRUTN-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CN(CC(C)C)C1CCCCC1	2020537710	RBKJECLZXXRWQX-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCCCC(=O)C[C@H]1C[C@H]1C1CCCCC1	2022560264	NDTFWEHPXNJTPN-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(Cl)c(C2[C@H]3CCCCC[C@H]23)cc1N	2023945796	NXLFBRVUEOAHOO-QWRGUYRKSA-N	249.785	4.524	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC(C)(C)CCC1=O	2024116934	JJPAUYJWTZKHSX-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1C[C@@H]2CCC[C@H]21	2027316070	GLWLYEUTLUGXEY-USXIJHARSA-N	241.378	4.555	0	10	BJAE	
CCN[C@@H](CC[C@H]1CC1(C)C)C1=CCCCCC1	2027815452	NRJMKTZZPQATTE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC2CC2)CC=CC[C@H]1C	2027913612	QTGZRCGRSNHJBI-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)c1ccoc1C	2028643322	IJGKRAJCFAAISM-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)CC1CCCC1	2028896996	IJIPVPFCNZHVHK-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1(CCN[C@H]2C=CCCCCC2)CCCCC1	2033210483	MAPWXZVTXJYSLG-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@H]1CCC(C)(C)C1	2033402473	PXWIAJIWPGNTGR-BBRMVZONSA-N	245.410	4.636	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)c1ccc(C(C)C)cc1	2035425706	ACARVMVSVRLNCZ-RDJZCZTQSA-N	245.410	4.564	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)C[C@@H]2C=CCCC2)[C@@H](N)C1	2035597804	HRXZCNWBGGBKBC-WCVJEAGWSA-N	249.442	4.523	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]2CCCC[C@]2(C)C1)C1CCCC1	2036664308	JOBXYLIUTDTUKW-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
NC1(CC2CC3(CC3)C2)CCCCCCCCC1	2036735557	TUVPVCYABVRDPX-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(C[C@@H]2C=CCCCC2)C1	2037272885	HYQAUVOMTOQZCZ-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
NCC[C@@H]1CCC[C@@H]([C@H]2CCC3(CCCC3)C2)C1	2038879553	IAXGQVKMTBHQGM-XHSDSOJGSA-N	249.442	4.502	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@H]2CC[C@H](C)C2)cc1	2040138547	PFGQYIWBQSAMIM-ZQIUZPCESA-N	245.410	4.636	0	10	BJAE	
CC(C)C[C@H]1CNCCC1=C1CCCC(C)(C)C1	2045508976	XVLRNFLWIMUGCF-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
O=C(CCC=Cc1ccccc1)CCCC1CC1	2045607525	SKTGPKAKLWKSEU-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@H]1CC(C)=C[C@H](C)C1	2045780656	XDWCOXZSYIHZSQ-IAOVAPTHSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C[C@@H]1CC12CCCCC2	2047011597	LFQWNXZVWAIEGG-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2047342187	VJPHSKGIKXPRSI-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@H]1CCC12CCC2	2047939464	NJSZWRBCKGAOLX-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1N[C@@H]1[C@H]2CCCCC[C@H]21	2048383377	YKPKDIIVHJAWNZ-FIDHJVLJSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1CC([C@H]2c3ccccc3NC[C@H]2C)C1	2048633120	GMBOSZNQECLMSU-WNZJFKNXSA-N	243.394	4.514	0	10	BJAE	
CC(=C[C@@H]1CCCC2(CC2)C1)c1cccc(N)c1	2049863879	ZBTRBOHUSFOCBM-AWEZNQCLSA-N	241.378	4.643	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@]2(C)C=CCCC2)cc1	2049998462	VQRLWSNJCRMCSV-IRXDYDNUSA-N	244.378	4.590	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@@H]1CC)[C@@]1(C)C=CCC1	2050004890	BJOOSFWJECMWIT-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1cccc(C)c1C	2051404061	BFOFQPCEQDLPJD-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CC1([C@H](N)[C@@H]2CC[C@H]3C[C@@H]3C2)CCCCCCC1	2052479519	OJPRDZJLEHMPJQ-ZJIFWQFVSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@]1(CNC2CC2)CCCC12CC2	2053358077	JQDORYCLUPAPCR-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CN[C@H](C1CCCCC1)[C@@H]1CCCCC12CCC2	2053413600	UXFPPQCDQNMPJH-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1CC(C2CCC2)C1	2056692656	XUJZHUGZAXUQLA-MFNRNEDNSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C=Cc2ccc3ccccc3n2)cc1	2059843792	MOXMLJIFOABOBX-UHFFFAOYSA-N	245.325	4.714	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CCCC(C)(C)C1	2060922210	QDOCNRIYWZJBNA-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@@H](NC)C2(C)CCCCC2)CC1	2061082724	XJQGDPPZLWZKBD-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](CC)CC1)C1(C)CCC1	2061083298	BJGKCHLPBYMKFJ-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@H](CC[C@]23CCC[C@@H]2C3)NCC)CC1	2061571840	MZXLAWSPFPSIJI-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2CC(=C3CC3)C2)CC1	2061666476	ZYRSBRPSHGSMKT-CXAGYDPISA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC2CC(=C3CCC3)C2)C1	2061696382	OXBMSDIXKZKWSV-MLGOLLRUSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](CC1CC(=C2CCC2)C1)C(C)(C)C	2061726327	ORXRWKPDWMHAKW-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)C1CC(=C2CCC2)C1	2061735512	ZSWXZZCCXRHGLY-SUMWQHHRSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC1CC(=C2CC2)C1	2061741190	IHGPFZHIVVRVHL-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc(NCC2C[C@@H]3CCC[C@H]3C2)cc1C	2063472115	RAFNZFUJAUIPSA-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC12CCC(CC1)CC2	2065274406	IFGSUVQHJUTENL-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C=C2CCNC[C@H]2CC(C)C)CCC1	2069341656	HPJVMUIAGZTCCL-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2(CC3CC3)CCC2)C1	2069504256	XPPMAEKVGROPKL-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@@H]2CC23CCCCC3)CC1	2069519212	JNSZEHVSKKANTI-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(OCC2(C(C)(C)C)CCC2)c1	2071916904	FFVRLWNJJFIUOZ-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
CC(C)(C)C1(C[C@H]2CCNC3(CCC3)C2)CCC1	2071951442	UGQNYJHVPRIPPW-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(CN)C=CCCC2)CC1	2072799993	ZEUCKWLDEBVEQS-ULQDDVLXSA-N	249.442	4.668	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H](C)c1ccccc1	2073349074	YDQWQJGMDSXDGN-NVXWUHKLSA-N	248.410	4.902	0	10	BJAE	
CCNCC1(CC2(CC)CC2)CCC2(CC2)CC1	2074623198	FSJGZOBDEYFIEI-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCC1(C[C@@H](NC)C2(C3CC3)CCCC2)CC1	2074648737	MBGNSXWNTZSRCE-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@@H](C)c1ccccc1	2074779240	BBVDMHOPMOYGHH-DOTOQJQBSA-N	247.426	4.894	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1c(C)cccc1F	2077196130	RIYVQHNNEDZDII-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@@H]2C2CCCC2)CCCCC1	2079487935	SSFYWUNEQRXMEO-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC1(CC(=O)C[C@H]2C[C@H]2C2CCCC2)CCCC1	2079852940	SWHBJJAXWXSTSM-HOCLYGCPSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2C[C@H]2C(C)(C)C)cc1C	2079862192	IDCJGQGQMBRYPB-LSDHHAIUSA-N	244.378	4.558	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)c1cc(C)cc(C)c1C	2082929591	HIXUEXFEFBVNFI-PXAZEXFGSA-N	247.426	4.699	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)c1cc(C)cc(C)c1C	2082929592	HIXUEXFEFBVNFI-SJCJKPOMSA-N	247.426	4.699	0	10	BJAE	
CCC1CC(CCN[C@H]2CCCC23CCCC3)C1	2084916114	GNAVNFIZOGZSSN-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC[C@H]2CC23CC3)CC1	2086418420	NBOPMFAPAUQSJY-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C/C=C/c2ccccc2)sc1C	2210663052	WZJBAINGBIMAQR-RMKNXTFCSA-N	228.360	4.621	0	10	BJAE	
CCc1cc(Cl)ccc1NCC1CCCC1	2212637294	NTJKEDFURICMLY-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CCCC(CCC)N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213284712	KMJPLZKFYRHREQ-FOLVSLTJSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC[C@H]1C[C@@H]1CC	2215333622	BYWDBDPLLJIKOC-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
CC1=CC[C@@](C)(NC[C@@H](C)CC(C)(C)C)CC1	2215797089	YQJPUGQPFOWOBD-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C(C)(C)CCC	2216278401	JXIXDNDADKNGJB-PPYMECGQSA-N	239.447	4.927	0	10	BJAE	
N[C@H]1CC12CCC(CCCCCCC1CC1)CC2	2218720890	NCGBDGZJSOQRNI-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2220299796	CJYYZGLQFJSOKK-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(N)CC(C)(C)CC2(CC2)C1	2220877150	NMTBRJHHKWJGSG-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1(C)CC2(CCC2)C1	2221005021	XKABWVOSCADUIN-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C(CCCCCCC1CC1)=C1CCC2(CC2)NC1	2223133171	SUSASYOZMHLHTF-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CCC2)CCC=CCCC1	2223602268	ZBBLGJREQHOAFF-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC(=O)c2ccc3occc3c2)CCC1	2224152826	IDEFLKFMSOLYIA-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCC(C)(C)C)NCC	2244779532	DKGSSUWTQRBCDD-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C(F)F)n1ccc2ccc(Cl)cc21	2246139909	HRJJLCAMUQOZBX-JTQLQIEISA-N	243.684	4.511	0	10	BJAE	
CCCC[C@H](CC)NCC(C)(C(C)C)C(C)C	2248381599	DJCGIZURXPMXKL-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCCC1([C@H](N)CCCCC[C@H]2C[C@H]2C)CC1	2248822365	SULGUXFRTKTUBL-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCC1CC(C(=O)CCCCC[C@@H]2C[C@H]2C)C1	2248855391	RZVJNDFCJFMHGL-FEWQNLEASA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](O)C1CC(C)C1	2250475467	KZSCCLLOCUHLQV-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1C[C@@H](C)C[C@@H]1O	2250479355	TXJUTRWJWGMOAC-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@H](CC[C@@H](C)CCCC(C)C)NC	2250488008	IANYEEXZBVLEOY-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1CCCCCC1	2250518135	HCHNQTPCQLBSBR-INIZCTEOSA-N	239.447	4.715	0	10	BJAE	
CCC(C)(C)C[C@H](N)C1CC(CC(C)(C)C)C1	2251541826	GVLDJEDCWLMKJK-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)[C@]2(C)CC=CCC2)C1	2253935551	OKOTYJUVKZPLLU-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNC2(CC3CC3)CCC2)C1	2253951192	JOKKHEYFXKPVIW-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCC1CC2(CCCC2)C1	2254083932	JNUVOBXJZAGIGJ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(N(C)CCCC[C@H]2C[C@@H]2C)cc1	2254580653	FEUSWAUKKCZANJ-HOCLYGCPSA-N	245.410	4.512	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@@H]2C[C@H]2C)cc1F	2254605127	BBRXUDQUOATPSZ-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H]1CC[C@@H](CC)C1	2255095108	QWEMFMKWUMILCS-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@](C)(CCC[C@@H]2CCCC23CC3)CN1	2255256703	QXQIUIGCQFWVDO-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)CC[C@H]2CCCC23CC3)CCCCC1	2255309411	ACXAVXZAQHDGTI-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCCC[C@H](C=C1[C@H]2CCC[C@@H]1C[C@@H](N)C2)CC	2258079542	QMJKVLKHBXMRFH-LVQVYYBASA-N	249.442	4.667	0	10	BJAE	
Cc1cccnc1NCC[C@H](C)CCCC(C)C	2259642762	FMTKVSFAGXGGHA-CQSZACIVSA-N	248.414	4.654	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@@H](O)C[C@H](CC)C(C)(C)C	2298125168	OEJJQRLEAUCJMM-LJISPDSOSA-N	240.431	4.636	0	10	BJAE	
CCCc1ccc(C(=O)[C@]2(C)C=CCCC2)s1	2300636610	SLCAUAPCUMIPIF-OAHLLOKOSA-N	248.391	4.630	0	10	BJAE	
CCC(C)=CCNc1ccc(C(C)(F)F)cc1	2300864656	DAXVMGHIZKPJGJ-UHFFFAOYSA-N	239.309	4.567	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)CCCC(C)C	2300877221	OZHDONPWIGXNMC-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H]1CCC[C@H](CC)C1	2300879264	FPORAIQIRFQGJP-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)[C@@H](C)C(C)C	2301830273	WGPVEBGUBLIBLM-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC(C)(C)C2)CC1	2302764330	WTZSIEYHRFUJCK-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C2CCCCCC2)C1	2302872155	UGRDUWPSQMUQSM-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCCC2(C)C)C1	2304406268	BBMXLTJIRBVNDK-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)CC[C@H]1CCC(C)(C)C1	2304447982	TUBPZCYAXQEKFJ-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@@H]1CCC12CCC2	2307906246	CVZSJHNUHMMCGW-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H](C)C1CCCC1	2307908550	HMSYBFSMFCITLE-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H]1C[C@H](C)Nc2ccccc21	2311573216	DYRVOEUTYRYJKW-LJISPDSOSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)CCC[C@@H]3CC[C@@H]32)C1	2311893019	RVEBWBNYLHXWQV-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2CC[C@@H]3C[C@@H]3C2)c1	2313073346	OHFMKYDHOXNKES-IOASZLSFSA-N	243.394	4.585	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313181466	RSIWQFHZFMJBOF-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@]12CCC[C@@H]1CC2	2313308690	MMLNIFMOTRNPLV-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CC(=CCN[C@@H]1C[C@H]1C1CCC1)CCCC(C)C	2316488420	CAOZBJWIFLPRBC-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC=C(C)CCCC(C)C)C1CC=CC1	2316569102	CBIIAJRDZBJCBY-KRWDZBQOSA-N	249.442	4.703	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1cccc2ccccc12	2317821527	WDGDEZCMHZPUSH-UONOGXRCSA-N	241.378	4.932	0	10	BJAE	
C[C@@H]1[C@H]([C@@]2(N)CCCCC23CCCC3)CC1(C)C	2318269539	GIAVMMZLHGAGIZ-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@@H](C)CCC(C)(C)C)cc(C)c1O	2318429174	TYWVISRSQVGAFD-ZDUSSCGKSA-N	249.398	4.636	0	10	BJAE	
O=C(CC[C@H]1CC[C@@H]1C1CC1)CC1=CCCCC1	2319750375	RNWQKAIKDWVWCE-DOTOQJQBSA-N	246.394	4.662	0	10	BJAE	
CC1=C(C)C[C@@H](COc2cc(C)ccc2C)CC1	2320349333	YJAHTRXQNTXKQF-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
CCC1CC(CC(=O)C[C@H]2CCC(C)=C(C)C2)C1	2320420818	RQUUCSWYNIJMIM-PCKAHOCUSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CC)[C@@]1(C)C=CCC1	2320432394	IUQRPGPWWSGXSH-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)C23CCC(CC2)C3)C1	2321651718	PVWBZEPGILOREC-UJEKJILKSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CNc1ccccc1C(F)(F)F	20004786	XXDIXWBLIMPVIR-UHFFFAOYSA-N	245.288	4.554	0	10	BJAE	
Cc1cc(C)cc(NC[C@H](C)c2ccccc2)c1	21816853	HPJXWDHVHXQPHP-HNNXBMFYSA-N	239.362	4.519	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1CCCCCCC1	35257214	VLGHYWPZBWBZMP-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@@H](NCC)c1c(C)cc(C)cc1C	35547748	IFPJRXPHKFSFJL-MRXNPFEDSA-N	247.426	4.843	0	10	BJAE	
N[C@]1(C2CCCC2)CCCC[C@H]1C1CCCCC1	37376819	MTKHPANXIMKENI-IRXDYDNUSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@@H](C2=CCCC(C)(C)C2)CC1	64634062	BKRLNEMLMVJATK-CYBMUJFWSA-N	204.357	4.869	0	10	BJAE	in-vitro
CC[C@@H]1CCCC[C@@H]1[C@H](O)c1ccc(C)c(C)c1	68863492	BMCBAHSJSDBUGJ-HYVNUMGLSA-N	246.394	4.553	0	10	BJAE	
CC(C)(C)c1ccccc1NC(=N)C1CCCC1	71175098	ZGAMWFFHAGBHGF-UHFFFAOYSA-N	244.382	4.563	0	10	BJAE	
CCCCCCc1ccc(OC(F)(F)F)cc1	79195945	LZANWXUUNFBUFS-UHFFFAOYSA-N	246.272	4.708	0	10	BJAE	
CCC[C@@H](C)[C@H](N)c1ccc(C)c2ccccc12	79904592	ONUOSVMRFLWBTB-DYVFJYSZSA-N	241.378	4.584	0	10	BJAE	
CCC[C@H](C)CCC[C@H](NCC)c1ccccc1	80424820	PNLRKECPFKHOQD-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Oc2cccc(Cl)c2)C1	85150676	LZEPHTDYDCQOAT-DGCLKSJQSA-N	238.758	4.688	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCCC1(C)C	86865969	RMWDUNRNCCTASB-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(F)cc2)CC1	86893862	DXXNIRPCKKXUDT-JSGCOSHPSA-N	235.346	4.597	0	10	BJAE	
CC[C@@H](C)C[C@@H](CNC(C)C)c1cccc(C)c1	93126865	NGHZRWIDXZQGOP-PBHICJAKSA-N	247.426	4.513	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCCC1CCCCC1	94278293	FRLHWQWQGNWXCZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C1CCC(C)CC1	109738020	HAHOLLGPCARJFF-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(Cn2c(C)cc3ccccc32)c1	111550294	JHYKJZLOFQTPEK-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc2ccccc2c1	112887259	ZRAUMVQXBQYCBG-QGZVFWFLSA-N	242.362	4.844	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC1CCCC1)NC	125213043	DSPCXHLGLANNGW-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](NC1CCC2(CCCC2)CC1)C(C)(C)C	129478923	AJUIKNRFWUTULA-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2cc(C)cc(C)c2)cc1	132427537	SUQWNNZTFQHUIM-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)[C@@H](C)CNC(C)C	133063152	ZUUSXQFKVLTNGM-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCCCC/C=C\CCC(=O)O	200181123	ZSGGBTWUFCJULA-CLFYSBASSA-N	240.387	4.794	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H]1CCC(C)(C)C[C@@H]1C	222106873	XVUMHAUOLZCIPQ-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
Clc1ccnc(-c2ccc3ccccc3c2)c1	227693574	QRCSPUPDRNZZSU-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
N[C@H](C1=CCCCCCC1)c1ccccc1Cl	236315967	AXVCDQDAITZHEH-OAHLLOKOSA-N	249.785	4.620	0	10	BJAE	
Cc1cc(Cl)c2ccsc2c1Cl	238534382	MWRIIUQZNBLGCB-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC[C@H](CC)C1)[C@H](C)CC	250559476	VXOJEIYDJNWCIP-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CSc1ccccc1N[C@@H]1[C@@H](C)CCC[C@H]1C	252392752	WUTJHFZQOLXMJC-JYAVWHMHSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@@H](C)NCC1CCCCCCC1	300796706	DCZPFANMKSNJBW-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)[C@H]1CCCCC1(C)C	302263707	CBIMLEMZFCAJPH-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1C	302283930	JLZAQSFPBWWDOL-RVSPLBMKSA-N	245.410	4.794	0	10	BJAE	
Cc1cc(N)c(S[C@@H]2CCC[C@H](C)C2)cc1C	302566221	NTHAHXVSOPDHRQ-GXFFZTMASA-N	249.423	4.556	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(O)CCC1CCCCC1	305897170	OINNLTLSPWLHJX-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)CCC1CCCCC1	305917395	KSXJXGIEDVLWDV-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
N[C@H](CCC1CCCC1)CC1CCCCCC1	305924944	IQCDIRWNTYEMKU-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CCCC(C)(C)C)c1	305956726	VXCGFOROJDRDAN-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@@H]1CC[C@@H](C)C1	305974823	ZNTNSJZGLUXWMV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCc1cc2ccc(Cl)c(Cl)c2s1	306534258	DOBFDXZXUUEBDV-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCOc1c(Cl)cc(Cl)c2ccsc12	306629766	DVCFSNWIRJVJOH-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CSc1cc(Cl)c2cc(S)sc2c1	307055058	SEZSEFHQWHWXTF-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](NC)c1cc(C)ccc1C	308076194	NAWMRFKGEJSTEU-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(O)CCC(C)(C)CC2)C1	310187033	XVIFZLVJAHWACZ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC[C@H](O)C1CCCC1)C1CCCCC1	310369726	XKHIFZAZYCYYGG-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CCC[C@H]1CCC[C@@H](C)C1)NCC	310486545	GAWLJMROYHBTLE-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)CC1(C)CCC1	310555472	YCTRUPHWWNXIQP-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCN[C@H]1C[C@H](C)c2ccccc21	311002651	YDKWJSIJOMWANS-YOEHRIQHSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H](CC)C[C@](O)(CCC)C1CCC1	322372388	JRPBHPLCPYHYNO-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1(CC)CCC1)NCC	380107471	YUXIPHJWVQDJNK-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CCCCC1)C(C)C	380187604	ZENLAWZIBOJSCC-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)Nc1cc(C)c2ccccc2n1	380600214	GSERGRFJVFYSQW-UHFFFAOYSA-N	242.366	4.534	0	10	BJAE	
CC1([C@H](O)c2ccc(C3CCCCC3)cc2)CC1	380763188	QBQNXPUHOJXSTF-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCC1([C@H](O)C[C@@H]2CCC[C@H](C)C2)CCCC1	382507092	VTXJYSYWRVBPEN-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCCCC(C)C)C1(C)CC1	383279768	OUWLRRBAPKAZNV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1ccccc1CCC	384502053	PNSZYUGGGUHHEG-PBHICJAKSA-N	248.410	4.889	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	386245246	RUQSNRCNMMDRCK-VRKREXBASA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H](CC2(C)CCCC2)c2ccccc2N1	386469427	UNLIFUOFTVSFCV-UONOGXRCSA-N	243.394	4.945	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H](C)C2CCCCC2)c1	386561396	VMQBPJJBBQDNRZ-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CC23CCCCC3)CC1	387243507	JMXPXWAFXHTITJ-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(F)cc1F	395218606	LLNUICWHXIUHNG-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
CC(C)=CCCN[C@H]1CC[C@H](C)c2ccccc21	397696774	FPAFWOBFQMLUNE-YOEHRIQHSA-N	243.394	4.571	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H]1CCCC[C@@H]1C	400736149	QLDYOYLXLNBVPE-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@@H]1CC=CCC1)NC	402342833	OUFLFYBSSPKGND-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2CC=CCC2)CC[C@@H](C)C1	402383703	IVDZLVMHZCLDEB-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(CNc2ccccc2Cl)CCC1	687269191	BQXMACFLVANVBH-UHFFFAOYSA-N	237.774	4.578	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C2CCCCCC2)c1	688936529	AJKBUDZAZXGDCJ-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccc(C3CC3)cc2)C1	690078472	GSQMRRUFIDFVCI-WBMJQRKESA-N	229.367	4.555	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCCC[C@H]1C	691097262	GLRZCMPLISXKHU-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
C[C@H](CC1CCCC1)NCC1CCC2(CC1)CC2	695736127	FRZCHVFMZGPTQV-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@@H]1C(C)(CC)CC	701144962	JLUZOVPYOFPNCY-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC(=O)CC1(c2ccccc2)CC1	703923343	XUEFLBMLDQIYDW-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC(CC)(C2CC2)C2CC2)C1	704661271	VMTCREWVWUETAK-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](c1cc(C)ccc1C)[C@@H](C)CC(C)(C)C	704726667	CEGRNKNLVRDILV-GOEBONIOSA-N	247.426	4.636	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H](C1CCC1)C1CC1	705305189	UZJKHNNTZOSTKZ-HNNXBMFYSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@@H](c1coc(C)c1)C1(C)CCCCC1	706271615	ALKZMXJSUFOMJJ-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H](C)CC(C)(C)C	709265051	UESCMNJRZJMUCC-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(N[C@@H]2CCC(C)(C)C[C@H]2C)cs1	710757422	FMDQOMJKDVVXFR-ZWNOBZJWSA-N	237.412	4.683	0	10	BJAE	
Cc1cccc(C(=O)[C@]2(C)CC[C@@H](C)C2(C)C)c1	710791723	WKYYNKRZPWUMSA-DYVFJYSZSA-N	244.378	4.640	0	10	BJAE	
CC[C@@H](C[C@@H](N)CCCC(C)C)C(C)(C)C	711102052	DQRBLVYDYVFYTP-KBPBESRZSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)CCC1(CNC(C)(C)C)CCC1	711245954	MEOVIJVOWVNDOS-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC([C@@H]2CC[C@H]3CCCC[C@@H]3N2)CC1	712298098	BVVGDXHISJZJQG-BHIOZNAESA-N	249.442	4.514	0	10	BJAE	
CC(C)CNC[C@H](C)[C@@H](C)CC(C)(C)C(C)C	713209171	HDXYDKBKRMVQFE-GJZGRUSLSA-N	241.463	4.577	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCC(C)=C(C)C)NC	718604252	ULXNOZQXGLNVRI-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CC1(C)CCCCC[C@@H]1Nc1cccc(F)c1	719277725	WYEAFPSOHHRNGS-AWEZNQCLSA-N	235.346	4.597	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCC1CC2(CCC2)C1	719297386	KUXUKCRNMKCEQK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC1CCCCC1)Nc1cccc(O)c1	720985439	ANEBZFJVUGPVDE-CQSZACIVSA-N	247.382	4.553	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CC2(C)C)CCCC1	722856747	FBUFHAOBIFTDAR-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	723616512	WRVMFUCEVIMGFM-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(CC2CCCCC2)c(Cl)c1	822256763	YXMKLPRRSFPCEK-UHFFFAOYSA-N	222.759	4.771	0	10	BJAE	
CC1(C)CC(CNCC2=CCCC2)CC(C)(C)C1	829417614	YIZYHRAXWYCCOP-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC[C@H](Sc2cc(Cl)ccc2F)C1	1473029023	CIZCSYAVQKXZQN-WPRPVWTQSA-N	244.762	4.760	0	10	BJAE	
CCC(CC)N(CC(C)C)CC1CC(C)(C)C1	1657476213	TZDLTTBKTVWPSK-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CC(C)(C)CC[C@@H]1C	1659927724	FTAUGGQAJYPQDX-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN(C)c1ccccc1Cl	1901207847	CNVHWKIOBGYBGT-UHFFFAOYSA-N	239.790	4.603	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H](C)[C@@H](C)C(C)C	1901626287	OTWZOZOLEIDKGS-RRFJBIMHSA-N	227.436	4.602	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H](C)[C@H](C)C(C)C	1901648633	FXEUECIRJGGNQH-QLFBSQMISA-N	228.420	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCn1ccc2c(Cl)cccc21	1908590276	UDUUAYBCAMHKRT-NEPJUHHUSA-N	247.769	4.731	0	10	BJAE	
C=CC=CCCC(=O)C1CCC(C(C)C)CC1	1911781596	DPSIKJFRDDIGTB-UHFFFAOYSA-N	234.383	4.540	0	10	BJAE	
C[C@H](C=C1CCC[C@H]1[C@@H]1CCCCN1)C(C)(C)C	1912060974	RUKUIJPNMMWLPC-BMFZPTHFSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C1CC2(CCCCC2)C1	1912631009	QUDGOHVSGUSHNV-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(N)CC2(CCCC2)C1	1912690286	BETPWVNHLZVFST-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCCC=CCN[C@H]1CC[C@@H](C)c2ccccc21	1914672531	NAPLUTWKMGMISS-PBHICJAKSA-N	243.394	4.571	0	10	BJAE	
CCCC[C@@](O)(CC)c1cccc(C2(C)CC2)c1	1919477721	SYEBCRSXWWRXOI-KRWDZBQOSA-N	246.394	4.526	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H](C)CCC	1919965498	YBOFHRALOOKOSY-KGLIPLIRSA-N	214.393	4.534	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@H](C)c1ccccc1	1920206142	YPNPTQYDBAYZLB-ZMSDIMECSA-N	247.426	4.724	0	10	BJAE	
CCCCC[C@@](C)(N)c1cccc2ccccc12	1920478478	SFZRPOQYCPAOTH-QGZVFWFLSA-N	241.378	4.594	0	10	BJAE	
CCC1CC(CN[C@@H]2CCC3(CCCCC3)C2)C1	1921245825	BUPNTOYZBZFLAT-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	1921540796	IOLQSKYGYFWGBB-ABFRBSLYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](O)CCC1CCCCC1	1923882130	OUZYPNJRADDROA-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@@](C)(CO)C1CCCCC1)C(C)(C)C	1923885814	CPCYTBCFSDKTNP-BBRMVZONSA-N	240.431	4.638	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H](C)C1CCCCC1	1924093345	JOBUPSZSSXGYCN-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)CCCC(C)(C)C	1924129303	DHNVAZIPEQKJBC-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CCN[C@H](C)CC1CCCCC1	1926170240	IFXYPSPZUIFVMI-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1sc(Cl)cc1[C@@H](O)CCCC(C)C	1933599561	INLROBPHDKCNCE-NSHDSACASA-N	246.803	4.570	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1ccccc1C(C)C	1940615970	JIJPXHSVSBJKOC-CZUORRHYSA-N	234.383	4.670	0	10	BJAE	
CCSC[C@@H](C)Nc1ccc(C2CCC2)cc1	1941166935	XRVFLRRQOVIZKP-GFCCVEGCSA-N	249.423	4.508	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](O)CCCC1CCC1	1941470355	PCACGPRIMZPBEY-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@@H](C)CCC(C)C	1942653485	QVGFTHNQLXXEOJ-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(N)CCCCCC1(C)C	1942655266	HOQPBWSGMCFTHL-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@@H](C)CCC(C)C	1942656326	AWAUWMMQDJXMBY-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)(CNC(C)(C)C(C)(C)C)C1CCCC1	1946158269	LZVCMDQHRGLBEV-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@@H](C)CC(C)C)cc1C	1948323141	KFKINHRBRAGLKK-GJZGRUSLSA-N	233.399	4.786	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](C)[C@@H](C)CC(C)C	1948331510	GQZDLNONPHPFTP-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948584373	DLCCPOPIIRDEDW-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c(C)cc1Cl	1948808413	AXEXBRFDOGVXSH-MBNYWOFBSA-N	249.785	4.557	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@]1(N)CCCCC1(C)C	1949051064	KXHMUJWTRXOOAE-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C2(N)CCCCCCCCC2)C1	1949450202	CTZUFUCJMLBWRQ-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(O)C=CCCC1(C)C	1949682118	XPJSFHDAQXBWHB-BBRMVZONSA-N	238.415	4.556	0	10	BJAE	
CCCCCCc1nc2c([nH]1)[C@@H](C)CC[C@H]2C	1949761124	BNSHLCJNPKSLIS-TXEJJXNPSA-N	234.387	4.533	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CC=CCC1)C(C)(C)C	1949832226	ULSIQRCOTKJOTC-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@@H](O)[C@@H]1CCCC(C)(C)CC1	1950912756	AKGKZEZRCKFYHV-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(CO)CCC[C@H](C)CC1	1950918226	RBPMKGRGJYHCNC-JYJNAYRXSA-N	240.431	4.638	0	10	BJAE	
CC=CC[C@H](C)c1ccc(OCCC)c(OC)c1	1951308878	PNFYUYSRDQYMQP-ZDUSSCGKSA-N	248.366	4.554	0	10	BJAE	
CC(C)CCCN(C)Cc1cccc(C(C)C)c1	1962923591	XPIJOFAIFKYTBP-UHFFFAOYSA-N	247.426	4.678	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1ccc(Cl)cc1	1968265766	OZNQAUFUMROXEX-GFCCVEGCSA-N	239.790	4.967	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccc(C2CCC2)cc1	1969958458	JBDGNGVNAWAGAU-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCCC12CCC2	1970017787	KPBPHAYAIJVTCK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)CN[C@H](CC)c1ccsc1	1973163374	CTDLLVBTENJHLB-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1CCCC[C@@H]1C	1978455812	OFFQAMBYPVXKSG-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@H]1CCC(C)(C)CC[C@H]1O	1984465983	IGDLJCRYXIOLSZ-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H](C)CC(C)C	1990092117	VLJOSFVFIUWGHB-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCC(C)(C)C1=O	1991640304	DFVXQXFHTPBMEQ-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CC[C@H]1c1nc(C2CCCC2)cs1	1995498154	KUQCKLBKKMQHIO-NSHDSACASA-N	235.396	4.704	0	10	BJAE	
CCCC(C)(C)[C@@H](CC1CCCCC1)NCC	1996616229	KWUZMVNXQHRYLE-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC1CC(C(C)(C)C)C1	1998235094	QYELEMSCDSWOKY-IYXRBSQSSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@](C)(O)C1CC(C)(C)C1	1998654615	LQTVODUYFXLICT-BLLLJJGKSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C2(C)CCCCCC2)C1	2000219697	XCSJIHYHPQOBGA-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C[C@H]1CC=CCC1	2000318215	ZSZNOJWGQKHXPY-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@H](NCC)C2CCCCC2)CCC1	2000377675	YUQMKVKFGSZFBM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)[C@H]1CCCC(C)(C)C1	2002979891	UUZOBKHAVZRHSU-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H](C)C(C)(C)C	2004231668	AYOFIUSLIPUQDY-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CN)CCCCC1(C)C	2005590746	YBLFOKRCNZEMCG-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CC1CC(CC(=O)C2(C)CCC(C)(C)CC2)C1	2007683281	MSYKHTBPDHIXFL-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)c1csc(C2(C3CC3)CCCC2)n1	2008473372	NWKVWDNCLRHBDI-UHFFFAOYSA-N	249.423	4.662	0	10	BJAE	
C/C=C/CCC[C@H](O)[C@]1(C)CC[C@H](C)C1(C)C	2009595329	WHPOEFKLUDWCSA-JDJZTWRCSA-N	238.415	4.556	0	10	BJAE	
CC=CCCC[C@]1(CNCC)CCCC[C@@H]1C	2009617951	XOKJJADASFLKMG-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC(C)(C)[C@H](NCC)C1	2009619615	NEVLEFLJZOHQMO-IPKOWEFYSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@]1(CNC)CCC[C@@H](CC)C1	2009630256	VESFWJOHHDPELS-ZOESHWHXSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)C1=CC[C@H](CC)CC1	2010721105	ZAHOHOXUMBMBCU-OFQRWUPVSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CCC)NCC[C@@]12CCC[C@H]1C2	2010995174	NBGYAZCVWVDWBU-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CC1CCCCCC1	2011571531	GLPBHKCSDBSKSU-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](O)(CC)CC1C[C@@H]2CCC[C@H]2C1	2011977699	XMBKKLGTOLNLKP-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](NC)CC2(CCC2)C1	2012066219	YCBWFBLYEMWVNS-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C)C1CCCCC1	2013262600	CBUXONZISFWGRM-ZBFHGGJFSA-N	239.447	4.760	0	10	BJAE	
CC(C)CC1([C@@H](O)C[C@H](C)C(C)C)CCCC1	2015278448	OHOMKGPYCYMGQT-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C[C@@H](C)c1ccc(N)cc1)C(C)C	2015408505	JXBFSSULZYDTKU-CYBMUJFWSA-N	233.399	4.691	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H](CC)CC(C)C)CCC1	2015640783	WIHYKLNAJYSWNE-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@](C)(CNC)CC1(CCC)CCC1	2015642377	PTPARXLSHAQHTB-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@@H](C)CC2)CCC1	2015643052	XUIQEJYFZSQSPU-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC1([C@H](O)C[C@@H](C)CC(C)(C)C)CC1	2015759950	DKIQGZQVMBMIEK-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CCC1(C(C)(C)C)CCC1)NCC	2017146692	VSTFSXNRGHPBGX-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(C[C@](C)(O)C(C)(C)C)CC1	2017651844	YZISKJLVPAUOSY-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(O)CCCCCC2)CC1	2017652337	FQLHVRIZAZKGNH-SHTZXODSSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CC[C@H](CSc2ccccc2N)CC1	2017714056	DFWUADFGRXEMFN-JOCQHMNTSA-N	249.423	4.577	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2018133547	FSMRMCYNUOFTSL-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@@H](C)C2CCCCC2)CC1	2018947872	LKGPDQBEBHATPB-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@H]1C[C@@H](C)CC(C)(C)C1	2019386482	QJYOFUMHJVYWNQ-QPSCCSFWSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@H]1C[C@H]1CCC	2022390659	KZOPNNAMXGMSOU-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1Cn1ccc2cccc(Cl)c21	2022546780	KJKZIQSYLRLSSQ-OLZOCXBDSA-N	247.769	4.587	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1C[C@@H]1CCC	2023338046	BPWXCTXBDMXWKZ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@H]1C[C@@H](C)CCC	2023609042	DROFOQOILFTQNY-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC(C)(C)C1)[C@H](C)CC	2024094297	JDPOORSSOCOBEM-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CC(C)(C)CC(C)(C)C1)C(C)(C)O	2024120177	UFUXTCJOXXVUDX-LBPRGKRZSA-N	240.431	4.636	0	10	BJAE	
CCC1([C@H](O)C[C@@H]2CCCC(C)(C)C2)CCC1	2024125748	VICPPUAIEYXZAA-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	2026081578	LQVKTQHKTCENRM-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CCCc1ccccc1COc1cccc(C)c1	2027912293	KUJWWOQLUCFSPA-UHFFFAOYSA-N	240.346	4.527	0	10	BJAE	
CCCC(CCC)[C@H](O)c1ccccc1C1CC1	2028556309	BSHFZVAYKJOYAM-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CCNC[C@]1(CC2CCC=CCC2)CCC[C@H]1C	2028873928	JANFINSOBLGFAQ-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
C1CCCC(NC2CC3(CCCCC3)C2)CCC1	2028880309	CAFLLNGNBIZLLK-UHFFFAOYSA-N	249.442	4.802	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)c1ccccc1C1CCC1	2029076045	WTIDZACMEFZGIR-DCGLDWPTSA-N	245.410	4.636	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)c1ccccc1C(C)C	2029823078	GMZOIRXJCBVFAO-WMLDXEAASA-N	247.426	4.882	0	10	BJAE	
CN[C@H](CC[C@H](C)CCC(C)C)c1ccccc1	2029830409	JKXHHULBIADUIY-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1ccccc1C1(C)CC1	2032301464	OILVRMFKURHTKP-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
C[C@@H]1CCC[C@H]1COc1cccc2ccccc12	2032479225	PXPDHCRTNVTWQD-HIFRSBDPSA-N	240.346	4.655	0	10	BJAE	
O=C1[C@H]2CCCC[C@@H]2C[C@H]1CCC1=CCCCC1	2034267327	HONCDXSDEJMTSA-OAGGEKHMSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@H]1CCC[C@H]1C	2035576002	LZUFXCRVBKEGEN-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
NC1([C@H]2C[C@H]3CC[C@H]2C3)CCCCCCCCC1	2035885229	FFVHUICTHVKZLW-JYJNAYRXSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1[C@H]1CCC2(CCCC2)C1	2037704168	QDSRYXFYGPOULR-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1=CCCCCC1)c1ccccc1	2038141395	QOKCAIDQFBFNSO-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
CCCNCC(=C[C@@H]1C(C)=CCC[C@@H]1C)C(C)C	2039434642	KTGPNYRDYSTBCL-DOTOQJQBSA-N	249.442	4.561	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2C[C@H]3CC[C@H]2C3)CCCCC1	2039866962	DAFNHJIHZQCUCV-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CC=CCC2)CC1	2041378960	HVZSEVBISLFHRF-PMPSAXMXSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C[C@H]2C=CCCC2)CC1	2041524964	NELOUFUUMYPXAQ-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@]1(C)CC=CCC1	2042023794	FOCBIWNSQCIKEZ-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@]2(N)CCC3(CCC3)C2)C1	2043611683	ISAGMODKOZSZAN-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
NC[C@@H]1CCCCC[C@@H]1C[C@H]1CCC=CCCC1	2045328663	GYCQEUMOSXGZRC-BBWFWOEESA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1C[C@@H]1c1ccc(C(=O)CCCC(C)(C)C)o1	2045561661	HDELSGYTLKENFB-NEPJUHHUSA-N	248.366	4.802	0	10	BJAE	
CN[C@@H](CC[C@@H]1CC12CCCC2)CC1CCCC1	2047009610	FCVZGTZROMPONP-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C(C[C@]2(N)CCCCC23CCCCC3)[C@@H]1C	2047558425	UZPOGVROCVTRQR-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CNC[C@]2(C)CC=CCC2)CC1	2047726829	RCNWVLGNFZIGLM-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC(C)=CC[C@@]1(CNC(C)(C)C)CCC12CCC2	2047943082	OVIKCVDWRLMWCU-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1	2048623310	GDQNPXPCDJVJDT-JREQNMATSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@H]2CC23CCCC3)C1	2049498556	MGNWWHHBRJMVAR-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC[C@@]1(C)CC=CCC1)[C@H]1CCC[C@@H](C)C1	2049542266	CHVAYALXMQIDAV-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(C[C@H]2CCC3(CC3)C2)C1	2049866012	OECOCMMTOMZOKR-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@H]1CCC2(CC2)C1	2049954881	PWBQMZMUOJJMLT-CQSZACIVSA-N	239.362	4.530	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@]12C=C[C@@H](CC1)C2	2050009516	YRWFDKDSKJZYJP-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H]([C@]2(N)CCCCCC23CC3)C[C@H]1C	2062018731	FUXXKQCWNLAWLQ-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1C(=O)CCC[C@H]1C[C@H]1C	2062624986	MVAPXFGFUGZFMM-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063410253	QSBCXSKFQJENKK-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063511474	TYUMAYBOUXQVJD-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]1C[C@H](CC2CC=CC2)CC(C)(C)C1	2063628943	VJHQSYGSDRBNPQ-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)CC12CCC(CC1)CC2	2065275676	VOLYGIRXCBSYBV-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](N)CC12CCC(CC1)C2	2065301542	XDTMCOZTDXVUEI-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)CC1CCC2(CC1)CC2	2068271078	GGHRVYAJQTUCMR-GDBMZVCRSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(NCCC(C(C)C)C(C)C)c1	2068957113	AISHHLGXPSKCHK-UHFFFAOYSA-N	247.426	4.979	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C[C@@H]2CC23CCC3)CC1	2069188435	CRHWLEAUUORTBQ-GDBMZVCRSA-N	249.442	4.501	0	10	BJAE	
CCCC1(Cn2ccc3c(C)cccc32)CCC1	2069278493	JMDSZJMYESTDKB-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CCCC1(C[C@@H](N)C2(CC3CCC3)CC2)CCC1	2069561446	INILAYNXFGJFIM-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2(CC3CCC3)CC2)C1	2069581418	RJTPHAXCRWRXRL-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](Nc1ccccc1C1(C)CC1)C1CC=CC1	2070796994	SYCWOAPFKORHMG-CYBMUJFWSA-N	241.378	4.505	0	10	BJAE	
CC(C)(C)C1(CC(=O)C[C@@H]2C[C@@H]2C2CC2)CCC1	2071917821	ODYKVVADFPFNSV-UKRRQHHQSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@H](N)CC2(C(C)(C)C)CCC2)cc1	2071940099	HOLGBXBQCDEPRN-OAHLLOKOSA-N	245.410	4.601	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CC[C@@H]3CCC[C@H]32)CCC1	2071942059	ZYFPOKZWDDVGFY-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C2[C@@H]3CCCC[C@@H]23)CC1	2072700551	MWUPQJSVFXIJON-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC([C@H](N)c2cc(C)oc2C)CC1	2072703125	VUMWCFVFNMUMHL-XUJLQICISA-N	249.398	4.503	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCC[C@H]3CC[C@@H]32)CC1	2072794041	PTIHNAJTWOESTM-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N(CC)c1cccc(C)c1	2074900258	PXEWGRDDJGHXOL-DOTOQJQBSA-N	245.410	4.790	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CC=CC12CCCCC2	2074906209	OMTHZANJCIIUJC-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2CCCC3(CC3)C2)C1=O	2076451519	VMSRQRJNVNXQQM-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](NC)c1ccccc1C(C)C	2079433958	CVONUVUIUDURCN-COXVUDFISA-N	245.410	4.507	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@H]1C[C@H]1C1CCCCC1	2079477242	SWHIKHAQDNDTTF-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@H]2C[C@H]2C2CCCCCC2)C1	2079487817	SBJGFIWIOBOQNQ-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@]1(N)CCCC2(CCC2)C1	2079883935	GLQPCJMWXDVFIH-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)C1CCCCCCC1	2080257841	WISVCZMVWPELRZ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CC[C@@H]1CCCC(C)(C)C1)c1ccco1	2082981561	DYYIBFKMZRGJMZ-UONOGXRCSA-N	249.398	4.537	0	10	BJAE	
CCCCCC[C@H](NC)C1C2(CCC2)C12CCC2	2083562348	IZZCUIBAMATARY-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC1C[C@@H]2CC[C@H](C1)N2[C@H]1CCCC[C@@H]1CC	2084423758	ABXAQXKJYQTQFJ-QPBSCJPLSA-N	249.442	4.608	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1ccc(C)c(C)c1	2086045732	YYVUSZXEQGPYMB-DYVFJYSZSA-N	248.410	4.943	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)C[C@@H]1CC12CC2	2086353730	YGNCQCBBAIADLV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C1CCC1)[C@@H](N)CCCCCCC1CC1	2213572773	AEMPXWQIWXMFTJ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@@](N)(CCCCCCC1CC1)C1CCCC1	2213575469	GEJAQQHDZRJKSL-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
FC1(F)CC=C(C/C=C/c2ccccc2)CC1	2213824342	FJFGHTWPVXTJLT-QPJJXVBHSA-N	234.289	4.836	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1CC[C@H]1C)NCCC	2214961608	RDEKSUSKRQVHTQ-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NCC1(CCC2CCCCC2)CC1	2217155102	ZOYBWKXGKRAPJL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCC1(CNC2CCC2)CCC(C)CC1	2217159960	UKGFTUKDNCXNEP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@]1(CNC2CCC2)CCC[C@@H](C)CC1	2217164907	ZXFBYXQZQMHNCQ-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)C[C@@H]2CCCC[C@@H]21	2218729319	YUIGIBKJGWDONM-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCCCC1CC1)c1ccc(C2CC2)cc1	2220030336	KYHFPLNZZRIQCQ-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2CCC[C@@H]2C(C)C)CC1	2221642217	COKIBAPJKXHSAA-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
Cc1c(Cl)cccc1OCC1=CCCCC1	2243270014	FIBCYCGJVGZAFZ-UHFFFAOYSA-N	236.742	4.528	0	10	BJAE	
CC[C@H](C)[C@@](C)(O)CC[C@H]1CCCCC12CC2	2246641669	GZENRAMSMUWLDH-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1CC[C@H]1CCC[C@@H](C)C1	2246662367	GMMLASCZRCIHJH-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CCCCC(C)(C)NCC[C@H]1CCC[C@H](C)C1	2246695938	ZFCGAMXYWNMVHR-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CC[C@@H]2CCC[C@@H](C)C2)C1	2246726310	JNWWYZDGLCXCFK-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCC[C@@H]1C[C@H]1C)[C@H](C)CC	2247175205	IOVCTUVETXZOLH-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@H]1CCC12CCC2	2247386809	NGZSCQZVRKXARJ-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CCCC1([C@H](O)CCCCC[C@H]2C[C@H]2C)CC1	2248852524	JARNOFFDNAKVMQ-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](CN)CCCCCC[C@@H]1C[C@H]1C	2248877763	HHXKZOFEJTUTNL-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1CCCC(C)(C)C1	2250360433	WZCOCGRJNWBCGF-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)CN[C@@H]1CCC[C@H](CC)CC1	2250384707	OBYZHJAQCUVGBW-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](C)CC1=CCCCC1	2250390662	SQXOBSFULADINS-GJZGRUSLSA-N	237.431	4.681	0	10	BJAE	
CC1=CCC[C@@]1(O)CC[C@@H](C)CCCC(C)C	2250496059	OGCMBSGPCYHFLG-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)CN(C)[C@H]1CC(C)(C)CCC1(C)C	2251711236	HPSANVZXODYUOA-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(CC[C@H]1CCC(C)(C)C1=O)C(C)C	2251723009	KKCCJOCMBVOYFD-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
CC1(C(=O)CC[C@H]2CCCCC23CC3)CCCC1	2253788299	BKSUWXNVDYGEMN-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@]23CCCC[C@@H]2C3)C1	2253938404	LKVMABQXTNXVRV-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
Cc1ccccc1C(=O)CC1CC2(CCCC2)C1	2254114109	LEVXGMGAXGQUIR-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CC(C)(C)C1CC(N)(CC2CC3(CCCC3)C2)C1	2254124731	MTTROVBQNPSWLO-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)C12CCC(CC1)CC2	2254574986	CMQYZGGLUVYICZ-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCCC[C@H]2C[C@@H]2C)CC1	2254576591	HJGKLPRMHYALBD-ZOBUZTSGSA-N	248.410	4.908	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@H]2CCC23CCC3)c1	2255010731	SYLJDZVZPIMMFV-OAHLLOKOSA-N	242.362	4.538	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@](N)(CC1=CCCCC1)C2	2255102312	LVIIXPQYDIDCNX-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
CC1([C@@H](N)CC[C@H]2CCCC23CC3)CCCCC1	2255267461	FGNIDKZRTKMRCN-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)C12CCC(CC1)C2	2257240959	MNJWLCQOHGIYKZ-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC[C@@H](N)c1ccccc1	2257245087	HKQBJTDDMOHBSZ-DJIMGWMZSA-N	245.410	4.683	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CCC12CCCC2	2257313836	WXIWAGRWOXZWKC-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@]23CCC[C@@H]2CC3)CCC1	2260493078	RSWLOLHXXZVIGD-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CC[C@@H]1CCC[C@@H](C)C1	2298255838	AGLRYFPKWDPJJH-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@](C)(CC)C(F)F	2299837710	GHEHVZGDZNQSFM-OUCADQQQSA-N	249.389	4.602	0	10	BJAE	
CCC(CC)CC[C@]1(O)CC[C@@H]2CCCC[C@@H]21	2300683165	GVYLXFVHKHJVLH-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC(C)(C)CCNCC(C)C	2300700287	KZFXZKHNUBFKLQ-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)CCC(=O)[C@]1(C)CC=C(C)CC1	2300701326	QLCJUFHLPXSJKR-MRXNPFEDSA-N	236.399	4.908	0	10	BJAE	
CCC(C)=CC[C@@H]1CCCCCCCC[C@@H]1O	2300868392	YMURVDKXCHVNTR-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC=C(C)CC)CC1	2300919946	BAFKOYVWUWZWII-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@@H](C)[C@@H](C)C(C)C	2301839239	XXYWLYUBEJEAOU-GJZGRUSLSA-N	241.463	4.704	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@H]1CCC(C)(C)C1	2302747720	GRGSTDIXQNJMMO-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC1(CC(=O)[C@H]2CC[C@@H]2C(C)(C)C)CCCC1	2303398145	ZOXNQSCPFDIGRB-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC[C@](C)(O)CC2CCC2)C1	2304351365	HBQGHJOSMKDMCR-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)CC[C@@H]1CCC(C)(C)C1	2304435109	HDZRSASIUDVZNW-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@@H]1CCC[C@H](C)C1	2306835171	PQTWUAIIEIPOGJ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)[C@@]12CCC[C@@H]1C2	2308102034	PYEZHGLZZFWGGR-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1C[C@@H]1C)[C@]1(C)C=CCCC1	2310436458	MKXRPBUNNYOHFY-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)C[C@@]12CCC[C@@H]1C2	2310882852	VTANVRPCWNUMAF-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)C[C@@]12CCC[C@@H]1C2	2310891435	PLWYLPVGKWZYKW-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]2C2CCC2)C1	2311479321	FPIFKMDNIJAUAS-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2311718039	RBOJWXAPLNBMIH-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)[C@@]12CCC[C@@H]1C2	2312333574	QJRPPNTVROEXFZ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2313345197	FOPFODZVSLUXSG-QEOTZNIISA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(CC2CCCCCC2)C[C@@H]2CCCC[C@@H]2C1	2316884854	NDZWSRDEMWGEJX-BJWYYQGGSA-N	249.442	4.645	0	10	BJAE	
CC1CCC(Nc2cc(F)ccc2C(C)C)CC1	2317917840	NMYKSFLNTSQROG-UHFFFAOYSA-N	249.373	4.940	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1cccc(C2(C)CC2)c1	2317988229	FSMCKFQNJUGUCN-KGLIPLIRSA-N	245.410	4.831	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(N)CCCC1=CCCCC1	2318538896	NLBVIFHLQPEGCP-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CCc1cccc(OCCCC2=CCCCC2)c1	2318599163	WGBSZSJPGBKWIG-UHFFFAOYSA-N	244.378	4.908	0	10	BJAE	
NC1(CC[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCC1	2318857836	JCJAAJJLJMRWTB-XHSDSOJGSA-N	249.442	4.645	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H]1CC[C@H]1C(C)(C)C	2320101981	GDMNEACVTSFRJR-OAGGEKHMSA-N	249.442	4.559	0	10	BJAE	
CC(=C[C@@H]1CC[C@H]1C(C)(C)C)C[C@@H]1CCCCN1	2320239160	BNEAMQCRKBPOQS-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@H]1CCCC12CC2	2320245606	BONHLSLYAYQFGF-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@]1(CNC2CCC2)CCC(C)=C(C)C1	2320261391	PHQZKYYWVGBHCV-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CNCC1(C[C@H]2CCC(C)=C(C)C2)CCCCC1	2320331942	UHDKOELDCFVSEA-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCNC[C@]1([C@H]2CC[C@@H](C)C2)CCC(C)=C(C)C1	2320394051	LUGAKQYJWRJXDG-COXVUDFISA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)=C(C)C1)C1CC(C)C1	2320406314	MKCJJXCEIDLNGH-LCDBUSSMSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C=C1CCCC1)c1cccc(C(C)C)c1	2320518389	PZPCUAYEZDYWSY-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCC[C@@H](C)CC2)c1	2321082667	KUXUOCFELFCFQB-DOMZBBRYSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@@H]2CC23CCCC3)C1	2321602610	JKLJLTQQBQPSGF-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)C2(CC3CC3)CC2)C1	2321632107	DNTJDEPXCVSJSU-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(OCC[C@@H]2CCC(C)(C)C2)c1	2321635220	ZFYADAKUOJKKEU-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
CC(C)c1cc(C(=O)CCCC(C)(C)C)ccn1	2328321554	SGVMBFPNSFMMTP-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C)cc1	37032030	NBMXUTSYLAHBBI-ZMSDIMECSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)CCCC(C)C)C1	71106964	GIBRYJTYSJDRHG-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(C)cc2F)C1	71107606	IFAXTSVDSTYQSQ-CHWSQXEVSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CCc2ccccc2N1	86668904	QMZAXAYJYQJNEA-KMFMINBZSA-N	243.394	4.630	0	10	BJAE	
CCC[C@@H]1CCc2[nH]c3cc(C)cc(C)c3c2C1	87818911	XKDJEYFMEQMEJK-CYBMUJFWSA-N	241.378	4.690	0	10	BJAE	
CCCC[C@H](N)c1ccc(Cl)c2ccccc12	93656475	NFZYGAVGIZFMOJ-HNNXBMFYSA-N	247.769	4.683	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCC1(C)C)c1ccccc1	94279303	NINYDOVNMPYNAO-HZPDHXFCSA-N	245.410	4.696	0	10	BJAE	
CC(C)Sc1ccc(C(=O)C2CCCC2)cc1	105918334	CNSKLWULPYFHFF-UHFFFAOYSA-N	248.391	4.560	0	10	BJAE	
C/C=C\CCc1ccc(C)c(C(C)(C)C)c1	107636604	WYBOZFLAXBCUPR-SREVYHEPSA-N	216.368	4.801	0	10	BJAE	
CCCCC[C@@H]1C[C@H](CCC)CC[C@@H]1NCC	109664801	DMPMEIPEKLMOEY-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
c1cc2cc(N[C@@H]3C[C@H]4CC[C@@H]3C4)ccc2s1	109811129	FJGTWOSBDQOBKH-MISXGVKJSA-N	243.375	4.502	0	10	BJAE	
CCCc1ccc([C@H](C)N[C@@H](C)C(C)(C)C)cc1	122500144	YPBQYWNCOTUYIF-KBPBESRZSA-N	247.426	4.724	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Sc1ccc(C=O)cc1	123638680	GRHSUUXTPLFHNQ-ZFWWWQNUSA-N	248.391	4.560	0	10	BJAE	
CCCCCC[C@@H](CCCCC)NCCC	124823831	FAMITMDJXHTXOW-OAHLLOKOSA-N	227.436	4.905	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1C(C)(C)C1(C)C	124977623	XQQBXCNTTCYWDN-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@@H](C)C2CCCC2)c1	132619553	RUBJOPWJQCMVGX-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)C2CCCCCC2)o1	150039209	LUMAUWQGPKGKDA-KGLIPLIRSA-N	249.398	4.598	0	10	BJAE	
CCCCCC[C@@H](NC)c1cccc(C)c1C	158365940	JOXAISGTAORMQV-MRXNPFEDSA-N	233.399	4.534	0	10	BJAE	
CC(C)CNC[C@H](CCC(C)(C)C)C(C)(C)C	162420809	WDPLHQQSHSLWSG-AWEZNQCLSA-N	241.463	4.721	0	10	BJAE	
CC(C)CCCNc1ccc(Cl)c(Cl)c1	165181105	JCNIUHRNOIWPCL-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
Cc1ccc(O)c([C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1	169483092	ZRCLPBCDJUWMRD-SUYBPPKGSA-N	244.378	4.630	0	10	BJAE	
C1=C(CCSCc2ccccc2)CCCC1	196031798	RSPNJTKCOGSSDC-UHFFFAOYSA-N	232.392	4.810	0	10	BJAE	
CCCCc1ccc(-c2cccs2)s1	196291218	FXPRNWJZFHGFEE-UHFFFAOYSA-N	222.378	4.819	0	10	BJAE	
CCCCCC[C@H](C)Nc1c(C)cccc1F	224965478	UHYSEEGRSJPLKI-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCC[C@@H](C(C)C)C1	230988339	NEISFCMAUDYTEI-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC(C)(C)C[C@@H]1C	232939710	RHCPGONZMDANLL-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CNc1cccc(-c2ccc3ccccc3c2)c1	234512882	JNAGTYIRSAWVRA-UHFFFAOYSA-N	233.314	4.549	0	10	BJAE	
C[C@H]1C[C@@H]([C@@H]2CCNc3ccccc32)CC[C@H]1C	235373656	DITDXMMRPJSIMB-QPSCCSFWSA-N	243.394	4.658	0	10	BJAE	
Cc1cc([C@H](N)CCC(C)(C)C)sc1Cl	300935166	VLQFLZUXFDNQST-SECBINFHSA-N	245.819	4.536	0	10	BJAE	
CCCNC[C@@H]1CCC[C@H]1CCCC(C)(C)C	302260909	FAXPUVVTGXBDPO-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCCC)C1=CCCCC1	302273254	APQYJSGVQPDKKZ-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1ccc(CNCCCC(C)(C)C)cc1	302317791	QAYPTORPCCRJEF-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](C)CCC(C)(C)C	304338969	FFKHROPPWNNEJV-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C1(CC(C)C)CCCC1	304556725	VHCZANQYKCYSKW-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1cc(C)c(C)cc1C	308010794	AVWVKZMDYIERRO-WBVHZDCISA-N	248.410	4.718	0	10	BJAE	
CCCCCC(=O)[C@H](CCC)CC(C)C	308116131	VUXNXUJNIHNGHE-CYBMUJFWSA-N	212.377	4.598	0	10	BJAE	
CCC1(C[C@H](N)[C@H]2CCCCC2(C)C)CCC1	310179550	WAUIANDVIUQKRF-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCC[C@@H](C)C2)cc1F	310775233	QEVWRYKMBWKOAV-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
CNCC1([C@@H]2C=CCCCCC2)CCCCCC1	316654069	ANULUTQMEVPYET-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCC2)CCC[C@H](CC)C1	317539145	ATONCYBIKIJWIR-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)c2csc(C)c2)c1	381401076	VGQVEAVRZKQZHT-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1CCCCC1(F)F	382164466	PIIYNNXGOVVNAV-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@H](CCCCCC(C)C)C1(C)CC1	383279769	OUWLRRBAPKAZNV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCC1(CNCC(C)C)CC1	383287438	QFGZVXZSLAUDAX-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCC[C@H](C)[C@H]1C	383327648	YTBNLBBWAAOIAE-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC1(CCNC2CCCCCCC2)CCCC1	383492226	BBMADXMCOOQHRO-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC(C)[C@H]1CCCC[C@H]1N[C@H](C)CC(C)(C)C	385196277	QJDNQQZNSADWED-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cccc3ccsc23)C1	386195809	CWJAOULFEFZOBZ-DGCLKSJQSA-N	245.391	4.892	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC(C)(C)CC(C)C	391159580	AXSRINQQJDIKCJ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCOc1sc2c(CC)cccc2c1Cl	396183747	AQAOUTXKIVEELF-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CC(C)CC1(C(=O)CCC2CCC2)CCCC1	398612265	GMZSKWACWDLYAL-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC=CCC1)C1(CC)CCCC1	402331676	HYBXQANFNYVFRU-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)c1coc2ccccc12	404322538	KITOMCGYEVRLKD-UHFFFAOYSA-N	244.334	4.688	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C1CC1)[C@H](C)CC	405800059	JYAPQRYPNZXZPD-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CCCC2CCC2)C1	688356476	OGKRMLLEYVPARA-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](CCCC2CCC2)C1	688801718	LQEBSMBRJLJWAX-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cccc(C(C)C)c1	688899695	MQIRDESSNSRJSX-CZUORRHYSA-N	233.399	4.636	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCCCC[C@@H]1C(C)C	691125363	DFCGDPBDSDXNRN-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CCc1cc(OC(C)(C)C)cc(C(C)C)c1	694950915	SPRYBUSQXGPAOC-UHFFFAOYSA-N	220.356	4.550	0	10	BJAE	
CCC(C)(C)CCn1ccc2ccc(F)cc21	696782572	ONGGUXOWWBQTAL-UHFFFAOYSA-N	233.330	4.607	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)CCC(C)(C)C	696803125	OMRWYLTVBSZDAG-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC[C@@](C)([C@@H](O)CCC(C)(C)C)C1(C)C	699074283	AJWWYWRIPBYCSL-WWGRRREGSA-N	240.431	4.636	0	10	BJAE	
CCCc1ccccc1O[C@@H]1CC[C@@H](C)[C@H](C)C1	699509054	ZUKIRFUGIHBQRH-IIAWOOMASA-N	246.394	4.843	0	10	BJAE	
CCCN[C@H]([C@@H](C)C(C)(C)C)C(C)(CC)CC	701189960	ATWYWEYDOYALMD-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(=O)C1CC(C)(C)C1)C1CCCCC1	701490325	UHOSPCZWRVGVLL-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccccc1NC1C[C@H]2CC[C@H](C1)C2	704786364	IETIRWHFFOUASN-KBPBESRZSA-N	243.394	4.801	0	10	BJAE	
CC1CCC(C[C@@](C)(N)CC2CCCC2)CC1	704906212	PYWUEDDRYDOTPH-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc([C@](C)(N)CC2CCCC2)c1	704940661	XAGUSWCESWPNFN-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@@]1(C)CC1(C)C	705305938	KNYFLAXFEGEGOI-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CN[C@@]1(C)CCCC[C@@H]1C)CC(C)(C)C	709099727	WTSQMQBTRPTNPZ-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@](C)(N)CC1CCCCC1)C(C)(C)C	710720567	PGTNIIMIWODVOO-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CC[C@@H]3CCCC[C@H]3N2)C1	712301583	ZBLQFGOFVQRCAK-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1C[C@@H]2CCCC[C@@H]21	712505264	WBJLGVLGQCZBBW-WHOFXGATSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1N	713159684	LGSAITFCBMPCID-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)C1CCCCCCC1	713270975	ZOTZNISGFHZMQE-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
N[C@H](CC[C@H]1C[C@H]1C1CC1)CC1CCCCCC1	714769724	FNJLQGGOJNJEDZ-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	718564750	FJLURJBIKRVWHJ-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@H](C)CC	718571677	JCHCWHDGYXAHMT-HIFRSBDPSA-N	225.420	4.537	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H](C1CCC1)C1CC1	719189656	OFEMURIKFGXEIP-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@]2(O)CCCCCC2(C)C)C1	719275451	XGPBTKJYRXNJRH-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCC(F)F)C(C)(CC)CC	721650944	OIBNFUIAHVBILZ-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@](O)(CC)CC1CCCCC1	723084603	FUZSDYDAXPHJCV-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(N[C@@H](C2CCCC2)C2CC2)CC1	723961547	WSUMMXKJKUDERN-IMRCBTMISA-N	249.442	4.514	0	10	BJAE	
C1=C(CCN2CCCC3(CCCC3)C2)CCCC1	1645324398	SVFQBTYXONNPHN-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
C=C/C=C/CCN[C@H](CCC(C)C)C(C)(C)C	1653026309	AWHDQKXVKLKZRT-XVJNWHFHSA-N	237.431	4.559	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H](CC)CC(C)C	1905443757	JDTCNKDKMGTSGQ-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@H]1CC[C@H](CC)CC1	1909710230	CDRAMZKHFLNRHC-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](N[C@H]2CCC3(CCCCC3)C2)C1	1915872475	TWEVRESGDNOHHN-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CCCC1(C)CC1	1919969418	JEDQXXDCJRYMEJ-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@H](C)NCC1CC(CCC)C1	1921225811	UTOGSOXOEPTSOV-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CCCC1CC(CN)(CCCCCC(C)C)C1	1921262419	SGWYYUUINRNQLA-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CC[C@@](C)(CNC(C)C)C[C@@H]1C=CCCCC1	1925810403	TVMYATYDDFYHOO-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC[C@H]1C=CCC1)C1CCCCC1	1932597039	YVJBYGFMKGOFSN-KGLIPLIRSA-N	206.373	4.949	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)C[C@H](C)C(C)(C)C	1940242803	GZSFREZBVGBDAY-XJKSGUPXSA-N	242.447	4.738	0	10	BJAE	
C[C@@H](CC(=O)C1(C)C(C)(C)C1(C)C)C(C)(C)C	1940283169	USKCTOVTWGWCQA-NSHDSACASA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](N)CC2(C)CCCCC2)C1	1940406037	BKDVEZFNGNUIQX-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC1(CCC[C@@H](O)C2(C)CCCCCC2)CC1	1940871315	BMZAELDEIPQAHH-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCCC1([C@@H](CCCCCC2CC2)NC)CC1	1941587893	WWTUOMFYTKMYFF-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2CCC=CCC2)C1	1941793622	QTPLDENLRPSSGV-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)CC1CCC=CCC1	1941797306	YKGNDVOTFYUDLT-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H](CC)C(C)C)CC1	1941934882	NSPDDMSTNQNGLJ-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C1(C)CC(C)C1	1941982536	UPQDBVNAQFGBMN-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)[C@H](C)CCC(C)C	1942654296	ZHPLJBFKSVOJRD-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CCCC(C)(C)CC1	1942655454	JAXKXWKRGXIELS-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
C[C@H](NCCC1(C)CCCCC1)C1CCCC1	1945431569	CXTGHSOLBOKALX-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CC=CCC1)CC(C)C	1948863247	LGYALNPKXHFAFC-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C[C@](N)(C1=CCCCCCC1)C1CCCCC1	1948954785	IFBZHOMZZMMUPE-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H]1CCCC[C@@H]1C)CC(C)(C)C	1949020440	JCVRNPBBXJEUIT-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCC2(CCCC2)C1	1949048883	XHLLCFUNTJGIFK-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@](C)(N)C1CCCCC1	1949056546	XOSNHCXENRRZTK-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@](C)(N)[C@@H]1CCC2(CCCC2)C1	1949402596	LNXJEXIXLQLJRM-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H]1C[C@H](CCCC(C)(C)C)CCC1(C)C	1949654300	SLMHBXFYJMPPBC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]1C[C@H](CCC(C)(C)C)CCC1(C)C	1949660414	IJNJXNATXQYDFX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC[C@@H](C)C(C)(C)C)CC1CCCC1	1949856534	CBOIAZYUDNJPKK-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC[C@H](N)CC1CCCCC1)C(C)(C)C	1949906915	IZKVKHFMUBCEOJ-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@]1(CN)CCCC(C)(C)CC1	1950920155	SMIRQOJLGXPBKN-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
CC[C@H](NC[C@H]1CCCC(C)(C)CC1)C(C)C	1950923027	QXIGOWSKZKJAHP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC1(C(=O)c2cccc(C(C)C)c2)CCC1	1951235964	BSYDXHFHWVVQLQ-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCC=C[C@@H](C)Cc1cc(CC)ccc1OCC	1951308120	ABNPEOKGGKCGHO-CQSZACIVSA-N	246.394	4.793	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCC[C@H]1C)c1ccccc1	1963313345	RNBMOHIKQCIAMU-OIISXLGYSA-N	245.410	4.696	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CC3(C2)CC(C)(C)C3)C1	1970282338	TYDKKUDODXEBEN-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@H](CNc2cccc(C3CCC3)c2)C1	1971535780	XCIRMBVBVMAWBA-KBPBESRZSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CCCC[C@H]1CN[C@@H]1CCCCC12CC2	1972744669	OBMLVKUMCVLIGM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)n1[C@@H](C)CC1=CCCCC1	1977161323	IHNSORGAGHVWMV-AWEZNQCLSA-N	217.356	4.556	0	10	BJAE	
CCC1CCC(CCC(O)(CC)CC)CC1	1989807575	KVTCKMPXHAEYEE-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CCC1CCCCC1	1989856059	VDQJGDLUVHXDQR-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC1(C[C@@](C)(N)C(C)(C)CC)CCC1	1989856637	BPEWHGUIABZBNU-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cc(Cl)c(F)cc1C	1995048849	UTODAZQANQUJLS-WCBMZHEXSA-N	243.753	4.634	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCC(C)(C)C	1995261595	GFWYFCXKPUHWGU-KGLIPLIRSA-N	227.436	4.747	0	10	BJAE	
CC1CCC([C@@](C)(O)CC2(C)CCCC2)CC1	1996545892	DMTVNCRGOJQDHY-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
C[C@@H]([C@@H](N)C[C@H]1CCC=CCCC1)C(C)(C)C	1999988544	RHHAEMGTYYKVEY-KKUMJFAQSA-N	237.431	4.523	0	10	BJAE	
CN[C@H](CC1CCCC1)C1(C)CCCCCC1	2000337148	YYHGRLDFIUDTJC-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@H]1CC12CCCC2	2001214925	GPQYHABOTSLLNT-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CN)CCC12CCC2	2001859145	IKIJYABEKZNATA-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CC(C)(C)CCCCC(=O)c1ccccc1F	2003666374	QMXQRHGUBPQHFY-UHFFFAOYSA-N	236.330	4.615	0	10	BJAE	
CCc1cc(N[C@H](C)C2(C)CCC2)ccc1C	2004836317	XLJJFEPTFKRYMF-CYBMUJFWSA-N	231.383	4.548	0	10	BJAE	
CCC(C)(C)CCNC[C@@H]1CCCCC1(C)C	2005583182	MIEPNVLRISWMLP-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)C=CC[C@@H](CC)C1	2006634867	JAVFQALNXYHKQV-XHSDSOJGSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)C[C@H](N)C1(C)CCC2(CC2)CC1	2007697650	PXUAJPPCMWARJT-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C=C1CCCCC1)NCC	2007936659	HCEIFWWVBHURPA-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
C[C@H](C[C@H](N)C=C1CCCCC1)CC(C)(C)C	2007938525	YQMKRFUZZDUVKB-HIFRSBDPSA-N	237.431	4.667	0	10	BJAE	
CCC[C@]1(C[C@@H]2CCC[C@H](CC)C2)CCCN1	2009058021	ACRYPOBWTZBAEY-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCCC1(C(=O)O)CCCCCCC1	2009599004	UYCLWAMQZSZUBL-NSCUHMNNSA-N	238.371	4.548	0	10	BJAE	
C/C=C/CCC[C@H]1C[C@@H](NCC)C[C@H](CC)C1	2009620015	QMIMJNKGSPLZGQ-GUJPZIPKSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C1=CCC(C)(C)CC1	2010718147	RDSCVMYVAGEIDJ-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCC(=O)C(F)(F)C1CCCCC1	2012956196	AZWNWCFQSYMQSL-NSCUHMNNSA-N	244.325	4.518	0	10	BJAE	
CC[C@H]1CC=C([C@](C)(O)CCC=C(C)C)CC1	2016149592	KZCIMWLJDIIHTK-GOEBONIOSA-N	236.399	4.620	0	10	BJAE	
CC(C)=C(F)C[C@@H]1CCCCCCCC[C@H]1O	2017418846	HYDYMDUJOUCMFO-DZGCQCFKSA-N	242.378	4.751	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)CCC2CC2)CC1	2017723682	KVDZGWBKCBLGQA-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@@H](CC)[C@@H](C)NC)CC1	2017731165	OMBQUJMAQQJRDX-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)CC(C)(CC)CC)C1	2019204823	ZXOKISYBZQBKIT-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCCCN(CCC1=CCCCC1)C(C)C	2019339894	HJLQNORNJMSKOP-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CCCC(C)(C)C2=O)C1	2020394702	WFBMKJVIDSLUJK-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H]1C[C@H]1Cn1ccc2ccc(Cl)cc21	2022548570	ZBMSBGZEGUPHAC-GXTWGEPZSA-N	247.769	4.587	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)[C@H](CCC)CC(C)C	2022562286	ZLXHLTAUNHPQLM-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@H]2CC=CCC2)C1	2024102424	SIDWCOQXLJOTNU-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@H]1CCC[C@@H]1C	2026170738	SAOMMDPPGIXGOG-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@]1(CNC2CC2)CC=CC[C@@H]1C	2027925211	CTQHCLLPTZUZOP-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1ccccc1C(C)C	2028239734	HVJWMRNJPQOGAG-DOTOQJQBSA-N	248.410	4.916	0	10	BJAE	
C[C@H](c1ccccc1)[C@@H](O)CCCCCC1CC1	2028618604	HYAYGKGBMXPUNX-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1C1=CCCCCCC1	2028750772	LWLPLQQHJHXXRQ-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCC1CCC1)[C@]12CCCC[C@H]1CCC2	2031759964	KKTKIODTHORAFX-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CCCCC1)C(C)(C)C1CCCC1	2032345865	HSMWDFRSLWCBEC-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(NCC(C)(C)C2CCCC2)ccc1F	2034021863	VBZGAJVVDDDEQC-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)c1c(C)coc1C	2035532251	DSVCNRFECQJWJW-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@H](C)[C@@H](C)CC(C)C	2036385182	UHSRRQWFLCVQPO-XHSDSOJGSA-N	247.426	4.716	0	10	BJAE	
C1CCCC(CCNC2CC3(CCCC3)C2)CC1	2036541766	IRYGPAVICCTALU-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C2CC3(CCC3)C2)CC1	2037135245	GTLSIUDQQTYQOO-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@@H]1CC12CCCCC2	2039013215	VVZPDGDHXHSKJL-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2C=CCCCC2)CC1	2039378189	XEEBUJBSOIKHEG-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](N[C@H]1CCCC[C@H]1C(C)(C)C)c1ccoc1	2043058478	AHZGPYOVCHDRCD-YUELXQCFSA-N	249.398	4.535	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H]1CC[C@H]1CC	2043680114	OMTHXZBOXLGMKQ-CZUORRHYSA-N	245.410	4.720	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CCC23CCCCC3)C1	2045382772	SVYXZUIMTLPDNI-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC[C@@]3(C)CCC[C@@H]23)C1	2045528977	HLBSKTUCCABOMV-ZMSDIMECSA-N	249.442	4.610	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@H]1CC(C)=C[C@@H](C)C1	2045693717	BYHRGWFMSKUUDC-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCC1)C[C@H]1CC12CCCCC2	2047055578	MBCSJNRDRPFIPS-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2C[C@H]3CCCCCC[C@H]32)C1	2047428415	YFTWQSXGOJWHPV-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1=CCCCC1)CC1[C@H]2CCCCC[C@H]12	2048466517	YPGHIRMOJMSKDV-HOTGVXAUSA-N	246.394	4.662	0	10	BJAE	
C[C@H](C(=O)CC1[C@@H]2CCCCC[C@@H]12)C1CCCC1	2048470294	MRLJRSSYJFFPEO-NWANDNLSSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@H]2CCC3(CC3)C2)CC1	2049418350	PYYUBNMLTSTRGZ-LMPOIIKSSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)C2=CCCCCC2)C1	2049535243	CZYBFHJDOLMUEM-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
Cc1cc([C@@H](N)C2(C)CCCCCCC2)c(C)o1	2052470050	YUBYFIZURAVWJX-OAHLLOKOSA-N	249.398	4.647	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@H]1CCC[C@H]1C	2053924697	PTLHXCWJOSOGIX-CPUCHLNUSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@H](N)c1ccccc1C(C)(C)C	2053925235	QTZCFMSKZQXQRB-WWGRRREGSA-N	247.426	4.666	0	10	BJAE	
CC(C)C(=O)CCCc1ccccc1C(C)(C)C	2053959128	JVDOOSHTGQDRAH-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
O[C@]1(C=C2CCCCC2)CC[C@@H]2CCCC[C@H]2C1	2056858867	VKPLANDFDNSNBY-ULQDDVLXSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1(C2CC2)CCCC1	2057595404	HRHJNXRDPMHAIK-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@]3(C(C)C)C[C@@H]23)c1	2058561038	ARTPWLUTZBCNIS-GVDBMIGSSA-N	243.394	4.540	0	10	BJAE	
CC1(CCC(=O)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2059239377	QBKXICZCBCTPFS-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)C2(C)CCCCC2)CC1	2061093036	VDAOETKOOHMTCL-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC1CC1)C1=CC[C@@H](C(C)(C)C)CC1	2061096993	YXNFSTXTYCGFPQ-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@@H]1C[C@H]1CC	2061139138	CQJNMTQMTUWOLH-XOSAIJSUSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](NC)C2=CCC(C)(C)CC2)CCC1	2061149869	GTAQRZZDJMRVJB-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CC[C@]12CCC[C@H]1C2)CC1CCCCCC1	2061626103	IBRMUPHZKKASLQ-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
O[C@@H](CC1CC(=C2CCC2)C1)C1CCCCCC1	2061683375	XAAJNJFZIROTBR-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@](N)(CC1CC(=C2CCC2)C1)C1CCCC1	2061708049	YRYUTEDTLMJZBM-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063407941	UEUOBWLEHHNFIN-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063514940	FGOGSAWATIHLOZ-LISQQWEMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063525304	TXXKMDGGXGIJDL-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H]1C[C@@H](C2(C)CCCC2)C12CCCC2	2067499374	WWUYBVRCFZMIAN-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)Cc1ccccc1[C@H](N)C[C@@H](C)C(C)C	2068843414	RSASLRGIAPXOCL-RHSMWYFYSA-N	247.426	4.567	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@H]2CC23CCC3)CC1	2069170410	GOWWBTJPYMLSDL-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CC3CCC2CC3)CC1	2069507112	MAEWSQXYQQZPIB-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1(CC2CC2)CCC1	2069520606	AFXVAAZQIYAEPA-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CC[C@@H]2C[C@H]2C)c1C	2072078939	CAWOMFRXZUXCHK-IUODEOHRSA-N	244.378	4.539	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1c(C)cccc1C	2072418382	GPYZURLCNOZUGR-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](NC)[C@H]2CC=CCC2)CC1	2072790376	FYFZXWLYCUJENJ-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@@H]2C2CC2)CC1	2072797504	ZXNNKOKDAAERSP-GMGZGELVSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(N)(C[C@]23CCCC[C@@H]2C3)CC1	2074025717	QEQULFRVPXTNPA-JCCCHCCOSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@]12CCCC[C@@H]1C2	2074028511	HUKXOALAWUPVFN-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](C=C1CCNC2(CCCCC2)C1)C(C)(C)C	2074140353	AGOQUIMPZOIQQA-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
CCC1(CN(C)C2CCC3(CCCC3)CC2)CC1	2074589727	GDLFOOFLOHIQFI-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@H](N)[C@]23CCCC[C@H]2CCC3)CC1	2074647422	XEZJKPAHXZZCFL-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCCCN(Cc1ccccc1CC)[C@@H](C)CC	2075207620	KVSPUOLAIOIXMW-HNNXBMFYSA-N	247.426	4.650	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@@H]1C[C@H]1CCC	2079438177	GPBSGKNZLZCMPI-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@@H]1C[C@@H]1C1CCCCCC1	2079481017	AVMYWTNCJWQDIW-FVQBIDKESA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@H]1C1CCCC1	2079491867	MLLMNRQMRSETMD-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H]2C[C@@H]2C2CCCC2)C1	2079492213	PDEBOAGBXJRSFW-CLWVCHIJSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)C[C@H]1C[C@@H]1C1CCCCCC1	2079863652	KHMQOHHXCJCFSC-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1CC1(N)CC(C2CCCCC2)C1	2079885105	KBWRPAXPUQMEJI-JUVOFCAFSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C(C)[C@H]2CC[C@H](N)C2)CC1	2082163292	YAPNOHKURYEVOU-GQGLESIBSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c(C)c(CC(=O)CCCC(C)C)c1	2082959600	QUNHDNKELQBAGB-UHFFFAOYSA-N	246.394	4.550	0	10	BJAE	
C[C@H]1CCC[C@](O)(CCCCCCC2CC2)C1	2213580199	KAZXNIVKFFJWGR-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
Clc1cccc(CC/C=C/c2ccccc2)c1	2213825547	VJKPEOZUNHUZMY-RUDMXATFSA-N	242.749	4.986	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](O)CCCCC1CC1	2214565320	MAJDIKNSPNZLBJ-JKSUJKDBSA-N	240.431	4.636	0	10	BJAE	
CC[C@](C)(CCCCC1CC1)CNCC(C)C	2214580963	JJXDSUSLGRNEKO-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC1(CC)CCC(O)(C[C@H]2CC[C@@H]2C)CC1	2214981977	NAJLSEMFLWZCQJ-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]([C@H](C)CC(C)C)C(C)(C)CCC	2216286532	WAEJMRJHTXJSIA-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCCCC(F)F)NC	2216458944	UIYKVDDASYVWOW-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCCCC(F)F)NC	2216458946	UIYKVDDASYVWOW-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H](C)CC)CCCC[C@H]1C	2217125893	BKZXRNIYFNJZFI-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)C)[C@H](C)[C@H](C)CC	2217126758	BNRJPJFFFWGDQQ-QXSJWSMHSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](C)NCC1(CC(C)(C)C)CCCCC1	2217131375	WPKUIVIFKHXMQI-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NCC1(CC2CCCC2)CCCC1	2217149549	INHHWBPEVUIVAT-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(OCC2C[C@H]3CCC[C@H](C2)C3)c1	2218328468	UBCKSEKUPDYDOC-GJZGRUSLSA-N	244.378	4.590	0	10	BJAE	
CC1(C)CC[C@@](N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218355869	HEEZKACWSMFWAR-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C)CC(C)(C)CC=Cc1ccccc1	2219088690	TXJLGLOHHIQHKJ-OAHLLOKOSA-N	245.410	4.504	0	10	BJAE	
CNCC1(CCCCC2CC2)CCC2(CC2)CC1	2220041832	QYFSLYXFNGRDAI-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1CC)c1ccccc1	2220874926	IZACRDKKWYYJDS-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)(C)C1)c1ccco1	2221014175	ALDLOPBLRAGEQH-CYBMUJFWSA-N	249.398	4.537	0	10	BJAE	
Cc1ccc([C@H](N)CC2(C)CC(C)(C)C2)cc1C	2221028847	UGASCPQUQQUFFN-OAHLLOKOSA-N	245.410	4.520	0	10	BJAE	
CCc1ccccc1OCC1(C)CC2(CCC2)C1	2221077069	VQKGBUXZTNNNIR-UHFFFAOYSA-N	244.378	4.598	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CC2(C(C)C)CCC2)CC1	2221621858	GJMFOJYSIAXFGN-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@H]1CC[C@H](C)C1)N2	2224121246	POUXTUUOMKZNNK-DUVNUKRYSA-N	243.394	4.548	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H](CC)CCC	2244775201	LRDZFOYJCATSMO-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@H](CC)CCC	2244801780	MRWRYJKJMHFCTF-KFWWJZLASA-N	227.436	4.747	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](O)C(C)(C)C	2244839794	BFPFFKWKXFXYEJ-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
CC(=O)[C@H](CC[C@@H]1CCCCC12CC2)C(C)C	2246636097	CQNSYOORJGNOEL-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
Cc1ccccc1NCCCCC[C@@H]1C[C@@H]1C	2248858527	RMPDASYIQXADNA-LSDHHAIUSA-N	231.383	4.623	0	10	BJAE	
CCCC[C@H](CC[C@@]12CCCC[C@@H]1CC2)NC	2251174173	DSDOXVRKRJGAMZ-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@]12CCC[C@H]1CC2	2251174847	JCARLUDOJOTEFB-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC1CC(C)C1)[C@@H](C)CCC	2251757145	KNSAHIUAHHKEDZ-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc2ccsc2c1	2253088095	CJNJGJUMLVCUGE-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
CCCC1CC(NCC[C@@H]2CCCCC23CC3)C1	2253887969	AXYIQDKVPIZBAV-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCC[C@H]3CC[C@@H]32)C1	2254004029	QXTLZSUBPPEPIC-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@H](C)C1)[C@@H]1CC=CCC1	2254018648	DZBBSKSUTAIGFO-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNC1(C2CC2)CCCCC1	2254526490	MGFXFTCIXJADSP-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)CC2=CCCCC2)cc1	2255064405	QLAFOSVBSZJYDD-CQSZACIVSA-N	242.362	4.558	0	10	BJAE	
O[C@@H](CC1=CCCCC1)[C@@H]1CCCCC12CCC2	2255091375	JLGVRAGKVYSXEX-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H]1CCCC1(C)C	2255143522	YRASECQXSGDBJY-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](NCC[C@H]1CCCC12CC2)C1CCCC1	2255247313	QJEYSOGDBNRHLT-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@@H](C[C@@H]2CCCC23CC3)NC)CCC1	2255250689	YRRKKDSTXKSJHM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC(C(C)(C)C)C(C)(C)C)c1ccccc1	2255425192	KMWQQTLJHYVKKB-CYBMUJFWSA-N	247.426	4.798	0	10	BJAE	
CCCc1ccc([C@H](N)C[C@@H](C)CC(C)C)cc1	2256293169	CKZMBNHHJBGOPW-WMLDXEAASA-N	247.426	4.711	0	10	BJAE	
CC[C@H](N[C@H](C)[C@H]1CC12CCC2)C1CCCCC1	2256418862	BCNDSLISGZPYFM-BMFZPTHFSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1ccccc1C1CCC1	2259441048	BRZUPVBRLPDFKP-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)Cc1ccccc1C(C)C	2259445598	BJWTXHYOJQVQFI-YOEHRIQHSA-N	247.426	4.506	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@]12CCCC[C@H]1CC2	2260500902	MUJNLXAVKJDROZ-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CC1CC(CNC2CCC=CCC2)C1	2261183418	BHUPPQPKIXCHNE-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CC1CC(CN[C@@H]2C=CCCCC2)C1	2261184851	KAZCTUJBTDVPEN-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CCCc1cccc(C(=O)CCC2CC(C)C2)c1	2261512404	YLDNEVKPALSWPC-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCNC[C@]1(CC=C(C)CC)CCC[C@H]1C	2300860512	IEQHMWPVIWFHCY-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)CCCC(F)F	2300903587	GDAFHLNQDYWZEL-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@](C)(N)C1(C)CCCCC1	2301829824	SLHKTJADQSPFLG-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)c1ccc(C(F)(F)F)cc1OC	2302228258	BUHMJWYRQSQSQI-UHFFFAOYSA-N	246.272	4.618	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@@H]1CCC(C)(C)C1)NC	2302718996	FJFBDBCQBPYIPE-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303490541	RFFMBSFSDOEMGU-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](CCC[C@@H]1CCC(C)=C(C)C1)C(C)C	2303574571	AHUOUHBUGQMAJJ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCc1ccccc1OC(C)(C)C	2307647354	GNSYQJBWVCUWQP-UHFFFAOYSA-N	234.383	4.843	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2308611269	DTXAUTIBSFWJHC-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)[C@H]2CC[C@@H]3C[C@@H]3C2)CCCCCCC1	2309540223	OJPRDZJLEHMPJQ-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CC[C@@]23CCC[C@@H]2C3)CC1	2310373701	FNSQVDLNXAOICA-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2311163320	FIQKSNXPASDDRZ-IVSAIRAKSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)C[C@@H]1CCCCC12CC2	2312661968	CXGUNFLIPJXLDT-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCCC1)C(CC1CC1)CC1CC1	2313645131	NGMULIVMNYHNNJ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)CC[C@H]2CCCC[C@H]2C1	2313674061	WGKQJLWLMOQYRR-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@H](N)[C@H](C)CC(C)(C)C)ccc1C	2314694662	MNRMZLSLOXPUKC-CZUORRHYSA-N	247.426	4.630	0	10	BJAE	
CCC(CC)CC[C@@](O)(CC)c1ccc(C)cc1	2316254211	ZECQROHBULCSQN-KRWDZBQOSA-N	248.410	4.809	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H]1C[C@H]2CCC[C@H](C2)C1	2316535793	JMCFBXHMRWXLDJ-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H]1CCC[C@@H]2C[C@H]12	2316536978	PLGRTNNVGWMLJC-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
N[C@]1(CC2CCCCCC2)CCC[C@@H](C2CC2)C1	2316880961	MBDJFMZYLVOKEJ-SJORKVTESA-N	249.442	4.645	0	10	BJAE	
CC1(CC[C@@H](N)C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316884132	KRKRHBNXIIABSL-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2316945187	DQDQFZBZFJLORD-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(C[C@@H]2CC[C@H]3CCCC[C@@H]3N2)CC1	2317014164	WQTBLFJHRGMRFX-IKGGRYGDSA-N	249.442	4.658	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@H](C)[C@@H](C)C(C)C	2317628400	ADNOTQWQLSUGIC-ZNMIVQPWSA-N	247.426	4.580	0	10	BJAE	
CCCOc1cccc(N[C@@H](C)[C@H](C)C(C)C)c1	2317945596	SOENNSWZWZCSRI-KGLIPLIRSA-N	249.398	4.568	0	10	BJAE	
CCN[C@H]1CCCC[C@@H]1CCCC1=CCCCC1	2318598045	PETSLLBXMCWPEE-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CCC[C@H]1C[C@@H]1C	2318928256	MTRLEOFETWWOFR-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C[C@H](N)CC3(CCC3)C2)C1	2319125905	IVPCFPADEWBAJL-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCC1CC1)CC[C@H]1CC[C@@H]1C1CC1	2319687247	UWMBZNPJXHCCKQ-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C(=O)CC[C@@H]2CC[C@H]2C2CC2)CCC1	2319734583	QVPQYXJKXSGHKU-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1CCC1)C[C@H]1CCC(C)=C(C)C1	2320388512	QRALJLLHFSHEGG-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC1CC1)c1cc(C)ccc1C(C)C	2327659944	KZMAYPDPCJSMKL-QGZVFWFLSA-N	245.410	4.569	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)c2ccoc2)c1F	2327802868	SXGXYJRZZBCTIS-NSHDSACASA-N	247.313	4.715	0	10	BJAE	
CCCCCCc1ccc(C2(O)CCCC2)cc1	2327909654	GTLUCOGSNLXUCR-UHFFFAOYSA-N	246.394	4.571	0	10	BJAE	
CCCCCN[C@@H](C)c1ccc2ccccc2c1	21044904	YYSCMMNKBOPJBN-AWEZNQCLSA-N	241.378	4.681	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(N(CC)CC)cc1	57785032	NPJBPSWSYQLQRO-CQSZACIVSA-N	248.414	4.523	0	10	BJAE	
CCCC[C@@H](CC)NCc1ccc(C(C)C)cc1	69378639	IJDHFHYVMSQIJX-QGZVFWFLSA-N	247.426	4.868	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC2CCCCC2)CC1	86897511	AJWYCQBHGHHUQD-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)COc1cc(C)cc(C)c1	87439666	JTGHDJOZNKUQRG-OAHLLOKOSA-N	234.383	4.899	0	10	BJAE	
CC(C)CCC[C@H](C)NC[C@@H]1CCC[C@@H](C)C1	89605050	AQYGZJSJNAIMNV-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@H](O)c1ccc(Cl)c2ccccc12	93656848	DPIBPVNIRRRQKZ-BMIGLBTASA-N	248.753	4.573	0	10	BJAE	
CC[C@@H](C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	94546982	QBPDOPDAGCLZRS-DOFGZOTHSA-N	248.410	4.598	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1ccc(C)s1	107543114	RWMWIHGYZQFOCE-ZHRWSRJISA-N	208.370	4.906	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1cccc(F)c1	109708212	JDCQPIBIDVAFNR-GFCCVEGCSA-N	236.330	4.615	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)c1ccc(C)cc1	109720094	YUMKJSRITIUZKN-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CC[C@H](C)C[C@H](N)C(CC)(CC)c1ccccc1	109747655	UWSRSLYWFKTZAS-HOCLYGCPSA-N	247.426	4.508	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1ccc(C)cc1C	124532295	NGCORYLUOFEUIG-WBVHZDCISA-N	247.426	4.910	0	10	BJAE	
CCC(CC)Oc1cc(C(C)C)ccc1C	130419377	YIFDCSHPZCUTIW-UHFFFAOYSA-N	220.356	4.686	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCc1cccs1	130420539	DDNOLYJSYBANDM-UHFFFAOYSA-N	246.375	4.759	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@@H]1CNCC(C)C	155484964	XFBHPDGFDBEBPQ-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC([C@@H](CC2=CCCCC2)NC)CC1	161263559	IADZBEKNUJFJJG-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@@H](N)CC2CCCCCC2)CC1	167917639	KQBCFQORUGIVDB-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCC[C@@H](C)C2)c(C)c1	216543871	FVZYLHBUNNBNRB-KCXAZCMYSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1CC[C@@H](C)[C@@H](C)C1	220574752	OSCPEMFCXDPKAF-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(CC(C)Cc2ccc(C)cc2)cc1	221416530	GDCQMDQPJJMPBC-UHFFFAOYSA-N	238.374	4.725	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H](CC)C2)C1	221505272	XLGNEUAVUMGGKN-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1NCCC1=CCCC1	228568672	QGRJTOSRBGMARE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@@H](N[C@H](C)C(C)(C)C)c2ccccc21	228954657	XFVWBHIUPRKUBM-XJKCOSOUSA-N	245.410	4.649	0	10	BJAE	
CCCC[C@H](CC)C(=O)C1CCCCCC1	229433631	XLJFDZUMLKQHSC-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCCCC[C@@]1(O)CCC[C@H](C(C)C)C1	231009586	ZTSTWTNULQXDRH-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCCC1CCC([C@@H](NC)[C@@H](C)CCC)CC1	232900012	LZWZRDQHBBIHGM-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
S=c1cc[nH]c(-c2cccc(C3CCC3)c2)c1	236604213	SOPSAJKJKORMIZ-UHFFFAOYSA-N	241.359	4.679	0	10	BJAE	
CC(C)c1c(C#N)oc2c(C(C)C)cccc12	259509002	VSTUVKIWZQKGEX-UHFFFAOYSA-N	227.307	4.551	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCC[C@H]1CC	300691560	WDYDVNBLVYLCKY-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
CN[C@H](CCCCCC(C)(C)C)C(C)(C)C	300801659	DSAODUPBHWHJJG-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC(C)C1CCC(N)(CCCC(C)(C)C)CC1	302304112	NMVAEYPPZVXSMJ-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(N[C@@H]2/C=C/CCCCC2)cc1C	302482589	RCSKAMOTFXNIHS-PMGBHYCQSA-N	229.367	4.604	0	10	BJAE	
CCc1c(SC)cc2ccsc2c1Cl	306604126	DVZUJVCAIAGNSG-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CSc1c(Cl)c(S)cc2sccc12	307034595	VNLVHWVEVIHHGU-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@H](CC(C)C)c1nc2c(F)cccc2[nH]1	308055669	NTZNKJSAQJRRQK-LLVKDONJSA-N	248.345	4.632	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CCC(C)C)NCC	308064955	XONYAYIEEKGEGS-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
Clc1ccc(-c2cccc3ccoc23)cc1	309194031	RAUWROLYHDTMKE-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
Cc1ccc(OCc2cccc(Cl)c2)cc1C	310083161	LDERFGPESORPBB-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCCC1CCCCC1	310260428	CLZLGUGXOYEGPW-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CNC1CC1)CC1(C)CCC1	317717435	GOHDOTIYAKJDNZ-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
C/C=C\C[C@]1(CNC(C)(C)C)CC[C@@H](CC)C1	317766195	BXBOPGPEFOEADG-CSVGXABCSA-N	237.431	4.537	0	10	BJAE	
CCCC1(CNCC(C)C)CCC(CC)CC1	318114183	XRPXRYGAULXMQZ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@@H](C)Sc1ccc(O)c2ccccc12	320049828	PWHVGSYPPDITKL-LLVKDONJSA-N	246.375	4.682	0	10	BJAE	
CC(C)[C@H](C)C(=O)C1CCC(C(C)(C)C)CC1	320084077	OOMWXGNPNBNDLW-HSBZDZAISA-N	238.415	4.700	0	10	BJAE	
CCCCCc1ccc(N[C@H](C)[C@@H]2C[C@H]2C)cc1	321906147	OQFKGSCDMMNCAE-CKEIUWERSA-N	245.410	4.876	0	10	BJAE	
CC(C)CCCCNCC/C=C/c1ccccc1	323834661	MKUVBNLEWLRBIL-NTUHNPAUSA-N	245.410	4.506	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCC2CCCCC2)C1	383123759	CTJVVUMCIDYXBL-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
Clc1cccc2ccn([C@@H]3C[C@H]4CC[C@H]3C4)c12	383126087	HFTKCNBYZVWESO-VHRBIJSZSA-N	245.753	4.656	0	10	BJAE	
CCCC(CCC)[C@H](O)CC1CCC(C)CC1	383560953	BVDLKURWHZRNPI-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@@H]1C[C@H]1CC(C)C	387826071	NGDVVMHOESPYNQ-BZUAXINKSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCC12CCCC2	392782968	PTOLWEMJPLHDHX-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCOc1cc2sc(C(F)F)cc2cc1C	396256528	XQZUUCIZGRTOTO-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1csc2c(C(F)(F)F)ccc(F)c12	396291904	DINIDQKEKXAPEF-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCN[C@@H](C[C@H]1CC=CCC1)C1(CC)CCCC1	402331685	HYBXQANFNYVFRU-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC1([C@H](N)CCC(C)(C)C2CC2)CCCC1	405892522	SIMPFRYSBAUZTJ-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCCC[C@H]1C	691092584	YKQMQNGWNFCEOB-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@H](C)C1CCC1	692761571	UASXTUYDBWJNGS-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(=O)[C@@H]1CCCC[C@H]1c1ccccc1	695074470	OZOSQIXAOJQEIG-JKSUJKDBSA-N	244.378	4.576	0	10	BJAE	
CCC(C)(C)CCC1(C(=O)O)CCCCCC1	696701327	AICGGTCYBNLICL-UHFFFAOYSA-N	240.387	4.628	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CO)C1CCCCC1	696825235	XLSGWORUBMJLCB-GDBMZVCRSA-N	240.431	4.782	0	10	BJAE	
Cc1ccc(-c2cccc(C3CCC3)c2)c(O)c1	699716195	OCBANXKPHFJMFF-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)C1CC2(CCC2)C1	700920118	LPQOHWMEEAJZJX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccc(C(C)C)cc1	701070291	LEPIKFLPXPSWOH-HNNXBMFYSA-N	234.383	4.670	0	10	BJAE	
C/C=C\[C@H](NCCC)c1ccc(C(C)(C)C)cc1	704639425	HULMDTPMFLIBME-IOBAAEILSA-N	245.410	4.601	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)CCCC(C)(C)C	704723683	NAKAYOBNVOAQAH-OLZOCXBDSA-N	228.420	4.636	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCC12CCC2)C1CCCCC1	704818440	MFHLOSVWMDSZML-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCc1cc(N[C@@H](C2CCC2)C2CC2)ccc1C	705330028	ZMVWLBWYRJUQRZ-KRWDZBQOSA-N	243.394	4.548	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)[C@]12CCCC[C@H]1C2	709231378	YEAPTAWKJSSUFV-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(N[C@H](c2cccs2)C2CC2)cs1	710766715	PXWBTUWVMSPJGD-ZDUSSCGKSA-N	249.404	4.681	0	10	BJAE	
C[C@H](NCCCC1CCC1)C1CCCCCC1	711139235	ZMEBMSCHUCUBDL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@H]1CCCC12CCC2	717439834	RNLQBGMXAKVOJE-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccc(CCC(C)=C(C)C)cc1	718776841	MNUBYVCBJVIHDL-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCC2(CC2)C1)C1CCCCC1	723600557	IRMLUHUIXDFPCW-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CNc1ccc(OC2CCCCC2)cc1C(C)C	725392093	WTDDBMFSTSEEGN-UHFFFAOYSA-N	247.382	4.563	0	10	BJAE	
CC[C@@H](C)CN[C@H]1C[C@@H](C(C)C)c2ccccc21	1474232902	BWRZKXLSLAZSOB-COXVUDFISA-N	245.410	4.507	0	10	BJAE	
CCN[C@H](CCCC=C(C)CC)C(C)(C)C	1900875251	OCQVADZAJHHBKL-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCCCC(=O)CC[C@H]1CCC(C)(C)C1	1903430467	XZVJNXLUPPYSCV-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
Cc1sccc1O[C@@H]1CCC2(CCCC2)C1	1904930556	DBZMTIJQFCTZFQ-GFCCVEGCSA-N	236.380	4.548	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC[C@@H]1CCC	1905381570	LARNRAVOPKLKTE-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cc(C)sc1C	1905391166	PRHKINSZZGRBAX-TZMCWYRMSA-N	239.428	4.581	0	10	BJAE	
C[C@H]1C(CC(=O)C2(C)CCCCCCC2)[C@@H]1C	1908018991	NLAXXZQGTQMTHY-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCC[C@@H]1C[C@@H]1C	1909758826	AGKJMOURVXRNLL-XHSDSOJGSA-N	239.447	4.713	0	10	BJAE	
O=C(c1cccs1)[C@@H]1C[C@H]1C1CCCCCC1	1910659294	HLIQDMOAPSHWNX-QWHCGFSZSA-N	248.391	4.537	0	10	BJAE	
Clc1ccc(NC[C@@H]2C[C@H]2C2CCCC2)cc1	1910731438	MIVZYTJVXHRANT-WFASDCNBSA-N	249.785	4.578	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@@H](C)C1CCCC1	1924097282	JHWZZUVOSKYBCU-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)cc1CC[C@@H]1C=CCCCC1	1925840319	YSUYPIPTKHFFFS-CQSZACIVSA-N	232.342	4.813	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@H]1CCC[C@H]1C	1926189214	LZYDRPQXBBOUQX-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
C=CC=CCCCC1C[C@H](C)C[C@@H](C)C1	1929817278	DMAQIZNKMPJQCV-ZIAGYGMSSA-N	206.373	4.971	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1csc(Cl)c1	1933596542	GYVOUZWWNSZELR-LLVKDONJSA-N	246.803	4.651	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCC[C@@H](C)CC1	1939904614	YOOCDTFZMYWGMN-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
CCCCC1CCC(N)(C[C@H](C)C2CC2)CC1	1940725065	XKRQHYXDUOHQQL-HLIUYOAVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@](C)(O)CC1CCCC1	1940881343	DTDJZYVIUOPRMB-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(=O)[C@H]1CCCC[C@H]1CC)C(C)C	1941264464	LXGUBFLLVMRNRT-ILXRZTDVSA-N	238.415	4.844	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CCC2CCC2)CC1	1941472088	KBFJXVDFEKZJNJ-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](N)CCCCCC2CC2)C1	1941586878	NMIQBDQEBFAKRR-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](NCC1CCC=CCC1)c1ccsc1	1941795942	UPMVYLHUUIWNIZ-OAHLLOKOSA-N	249.423	4.535	0	10	BJAE	
CCCCCC[C@H](C)NCC1(C)CC(C)(C)C1	1942072950	CCSZRNNGYTXJFY-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943043700	PLQVXYLGZRBPTK-WDNDVIMCSA-N	238.415	4.844	0	10	BJAE	
CC(C)CNCCCCC(C)(C)C1CCCC1	1946188179	VYTFBRKEPKZEFE-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CC)CC1CCC(C(C)(C)C)CC1	1947362617	VUJOHTKKVZBHHX-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@H](C)CC(C)C)cc1F	1948329470	ZZYFIOZKLLWHKH-OLZOCXBDSA-N	237.362	4.617	0	10	BJAE	
CCCC[C@@H](O)CC1CCC(C(C)(C)C)CC1	1948464819	LTPDDZFZDZZLOO-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC1CC2(CCCC2)C1	1948476110	SRKVBZMTAAAWMW-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(NCC2CC3(CC3)C2)cc(C)c1Cl	1948656543	UVWVUXAAXGTCKY-UHFFFAOYSA-N	249.785	4.559	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1CCC[C@H](CC)C1	1948865893	ZFNTWRCMOFPTEM-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CCCC2(C)CC2)C1	1949054785	NMPBGPGPRHJRCW-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)NC1CC2(CCC(C)(C)CC2)C1	1950550685	PGQJJCQIGWIRKA-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@H]2CCC2(C)C)CC1	1950917401	FNDCUCIZFXSCFX-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CN)CCCC(C)(C)CC1	1950920154	SMIRQOJLGXPBKN-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
Cc1cc(C)c(NCc2cscc2C)c(C)c1	1951027128	QOUKWGPGNXBEOA-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CC(C)=CCCC(=O)c1cc(C)c(Cl)s1	1960263068	LFTKZYHCGMTRNW-UHFFFAOYSA-N	242.771	4.639	0	10	BJAE	
CCC(CC)CN(CC)C[C@H]1CCC(C)(C)C1	1963156841	JHSFHAGKZNTBPY-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CC(CC)(CC)C2)C1	1963220407	NEPPXTPCCKAITP-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1C[C@@H](NC2CCC3(CCCCC3)CC2)[C@@H]1C	1964581983	YNPNBOYIHJOACN-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C[C@@H]3CCCC[C@@H]3C2)C1	1966045938	MDMMBJIOQQVADM-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC3(CCC3)C2)cc1	1968260237	ODLMXTDHRACEPZ-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC3(CCC3)C2)ccc1F	1968592604	WTRVQYPLFRUVRB-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(CCF)cc2)C1	1970103223	XWMKZMLZMOTNHS-CJNGLKHVSA-N	249.373	4.579	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCC[C@H]1C(C)C	1971010319	LWXUGIYHMVWLOB-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1(CN[C@@H]2CCCCC23CCC3)CC1	1971560373	WADUKROTETUZEG-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(CCCN2CCCC3(CCCC3)CC2)CC1	1973006283	DVEPYZWEZGYRLJ-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCC(C)(C)CNC[C@H](C)C1CCCCC1	1973163645	HTELGPCXLXCKEL-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCC(C)(C)CN[C@@H](CC)C1CCCCC1	1973171327	NKGSTNDRLCMQQN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)C1(C)CCCCC1	1975572330	BAHGKSMCLKOWQC-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCCC(C)(C)C(=O)[C@@H]1CCCC(C)(C)C1	1978371138	DKESXAXXQCTWAF-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCC(=O)c1ccc(C(C)(C)C)s1	1980984899	YSGVPYCHZKEMDZ-UHFFFAOYSA-N	236.380	4.585	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@]1(C)C[C@H]1C	1995202894	HXZOJEGNVWBDNN-GZBFAFLISA-N	224.388	4.598	0	10	BJAE	
CCCSc1ccccc1N[C@H]1CC[C@H](C)C1	1996575646	VVHIEDPTWKEOST-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CCCC2(CCC2)C1	1997038670	DLFAXCFOQZYSIC-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@H]1CCC=CCCC1	1999986396	UAKLPBGSGKZFIY-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CCC(C)(C)C(=O)C2)C1	2000115123	BOGUYXWLRYPPTR-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1C(C)=CCC[C@H]1C	2000292824	GMQBCTIBKVQFNT-HIFRSBDPSA-N	236.399	4.764	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CCC(C)=C(C)C	2000295752	LJHIGFCFUWLWBU-GOEBONIOSA-N	234.383	4.684	0	10	BJAE	
CC1(CNc2ccc3sccc3c2)CC=CC1	2001696225	CJNJPQXHMGUERP-UHFFFAOYSA-N	243.375	4.670	0	10	BJAE	
CCCCCC[C@@H](O)[C@]1(C)CCCCC1(F)F	2002580617	CJHYUVJNNSDNBO-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CCCC(C)(C)C)C1	2002997436	CNYZPTJNWKFQRJ-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(C)(C)CC1(N)CCCCCCCC1	2003095237	MFLOQFVMGNQUPQ-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@@H]1CCCC2(CC2)C1	2003207219	CMIURINJDMBVNX-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC)CCC(N)([C@H]2CCC2(C)C)CC1	2004346819	NYNDUPRLDWQLOS-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(NC[C@H](C)CC(C)C)CC1	2004370220	UOAXDTKVYBFDDM-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@@H]1CCC[C@H]1C	2006727742	RLFOXDUURHZBCO-IUODEOHRSA-N	232.367	4.686	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C(C)(CC)CC)CC[C@H]1C	2006945124	JFNLVBBOHQNFPL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)CC[C@H]1CCC(C)C	2009411052	NAZIZYATPUWABP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@H](C)CC(C)(C)C)CC1	2010763505	LKGWFTQSDFOFSV-NFAWXSAZSA-N	237.431	4.523	0	10	BJAE	
C[C@@H](CC(=O)C1CC(=C2CCC2)C1)C(C)(C)C	2011092668	ZZQJXVHCZOGMHG-NSHDSACASA-N	234.383	4.518	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC12CCC(CC1)C2	2012825693	YZDDNVZPUMYYNU-SHARSMKWSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)NCCCCCC1CC1	2013323099	TXCVQIXGETXMHE-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)C[C@H](N)c1sc2ccccc2c1C	2014292414	OUGOJAGVYPREEA-MFKMUULPSA-N	247.407	4.646	0	10	BJAE	
CCC(CC)[C@@H](O)c1sc2ccccc2c1C	2014293824	RTEYFINPZSCLCX-CQSZACIVSA-N	248.391	4.679	0	10	BJAE	
CC1([C@](C)(O)CCCCCC2CC2)CCCC1	2014327587	ZMUALDRMNBIONH-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC(C(C)C)C(C)C)NC	2015277372	GQWLZOPGOLOUCG-GDBMZVCRSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)C[C@](C)(N)[C@H]1CCCC(C)(C)C1	2015396452	DWBMADSTAAHEDN-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@H](C)C(C)C)CCC1	2015645053	RHYDDBGXZLABGG-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cc(C)ccc1C	2016145886	RAFITKSDNLNZED-HNNXBMFYSA-N	231.383	4.850	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CC1(C(C)C)CCC1	2017122060	WRMWOMQIUVIZFE-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)CC[C@H]1C[C@@H]1C	2017239810	URRSFCCCKIGJAK-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@H]2C[C@@H](C)CCC2=O)CC1	2017775936	IPCDBWZOPRUIAF-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](CCC)C1CCC1	2018127548	IJMWDNZKVSSLAV-HZPDHXFCSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@H](CC)NC1CC(CCCC)C1	2018136058	HBRXFZVAKUBRCF-PCKAHOCUSA-N	239.447	4.904	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CC1(CC)CC1)NC	2018989831	INULRFAANIUPPI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1C[C@H]1Cn1ccc2cc(Cl)ccc21	2022548236	WMGNLDOQCZZHJW-GXTWGEPZSA-N	247.769	4.587	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](C=C1CCC1)NCCC	2022686353	GLOWSKHZWFKMOP-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCC)c1ccco1	2026171159	UNZRTAFAPAHYSD-UONOGXRCSA-N	237.387	4.537	0	10	BJAE	
Cc1cccc([C@@H](N)CCC[C@@H]2CC2(C)C)c1C	2027840058	NLOOXWYFRDEYEQ-ZBFHGGJFSA-N	245.410	4.520	0	10	BJAE	
CCCCCC[C@H](NC)c1ccccc1C1CC1	2028559269	FDZBEBFGHLHMQF-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)c1cccc(C2CC2)c1	2028559875	KTUHFOQDQJIGIG-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)C2(C)CC(C)C2)cc1	2029104260	IOGGWQIVTSHBOV-FNIIMMMJSA-N	246.394	4.670	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C)cc1	2035425391	SKAMKCMOKFWQQO-UAGQMJEPSA-N	245.410	4.614	0	10	BJAE	
C1=C[C@H](CC[C@H]2CCOc3ccccc32)CCC1	2035555025	JZVMWPCOHLHQNW-GJZGRUSLSA-N	242.362	4.689	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](C[C@H]2C=CCCC2)C1	2035599545	NDLYEECWEOIACZ-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCCCCc1ccc(NC2C[C@@H]3C[C@H]3C2)cc1	2035803388	AMCWOFJYOHULSS-GJZGRUSLSA-N	243.394	4.630	0	10	BJAE	
CC1(CN[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)CCCC1	2036668504	VHCNUIOAUCUILL-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC[C@H]1C[C@@H]1C1CC1)C1CCCCCCC1	2037127706	CPKXGDYDODCXCD-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC(C[C@H]1CCCCN1)=C1CCC2(CCCC2)C1	2037696683	AYSXAGQJVWRYPS-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CC1CCC(C(=O)C2CC3(C2)CC(C)(C)C3)CC1	2039417836	LMTKYGRJTFEJBN-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1cccc(C)c1C	2039447871	QBOQXZNNYDQSDW-ZBFHGGJFSA-N	243.394	4.708	0	10	BJAE	
C[C@@H](NC[C@H]1C=CCCCC1)C1(C)CCCCC1	2039872372	MOIDZRBFWBRTJY-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](N)[C@@]23CCCC[C@@H]2CCC3)C1	2040169811	RLYKCBQKAXBILL-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(N[C@@H](C)C2CCC(C)CC2)c1	2040631982	ABGRCLFEVNPXAC-BBBYJDLNSA-N	245.410	4.876	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NCCC[C@@H]1CC1(C)C	2043193029	FQAJKMJYWNEEGD-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](N[C@H]1CCC2(CCC2)C1)[C@@H]1CC1(C)C	2043610711	ZTSJSGHQNPYWLE-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H]1c1ccc(C(=O)CCCC2(C)CC2)o1	2045564186	YPAPVKFLSIIXCD-RYUDHWBXSA-N	246.350	4.556	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CCC[C@H]1CC1(C)C	2045681206	VYRXNUXNHONHEA-OFQRWUPVSA-N	248.410	4.764	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)c1cc(C)cc(C)c1	2045727306	JUNPPJULXHKFOI-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
C[C@H]1CC(CC(=O)[C@H]2CCC23CCC3)C[C@H](C)C1	2047961475	ITBCWSFRQQVAIU-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2048364652	AKQHYYCXFTZGFC-PNBKFKSVSA-N	246.394	4.518	0	10	BJAE	
CCCC1CCC(NC2[C@H]3CCCCC[C@H]23)CC1	2048389358	HAMDFTZGSKVQNZ-CKUJCDMFSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C(=O)C[C@H]1[C@H]2CCC[C@H]21)C1CCCCC1	2048472366	ZSBYYVDNSOVPLW-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C1CC(C(C)(C)C)C1	2048585354	JGRHKCBYFZHXHK-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)[C@H]1CCC[C@H](C)C1	2049539427	GQZFSGZFCSTWLN-YUTCNCBUSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@@H]1[C@@H]2CCCCCCC[C@H]2C12CCC2	2049671821	HKYDJDNRLKOHDY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@@]1(C)C=CCC1	2050006298	MCEWXEVNAWXLBG-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)[C@@H]2CCC[C@@H](C)C2)CCC1	2055552559	QEJSDBZFJNUYFT-BASLNEPJSA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)C1CCC(CC)CC1	2056878638	MJQGWOYGLSVQDY-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2[C@H]3CCCC[C@H]32)CC1	2059002799	IGMLUZZYOWRUSU-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC1(CCC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1	2059246192	ZROHSCVILLUPLA-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCC(C)C)CC=CCC1	2059256938	TZFNHIRMHZGHMC-LAQIPUCWSA-N	249.442	4.705	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(O)CCCC23CCCC3)CC1	2061101321	FRUKSQUFGQNGCM-RHSMWYFYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC=C([C@@H](N)CCC2CCCCC2)CC1	2061138783	ADFAAMXQZDDSDT-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C[C@@]12CCC[C@@H]1C2	2061618752	WNFAAZKEKRPQJP-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C1CC(=C2CC2)C1	2061650360	IVFCUPADWGLLAV-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](CC2CC(=C3CC3)C2)C1	2061703585	GZXYOXPZGMVQRC-ZBFHGGJFSA-N	246.394	4.518	0	10	BJAE	
CCc1ccc(CC)c([C@@H](O)C(C)(CC)CC)c1	2061869280	FHQNVWGXPQBVRF-MRXNPFEDSA-N	248.410	4.671	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(CN)CCCCC12CCC2	2062647272	RNALLRQLEZCSKR-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CC1CCC(C[C@H]2CC(=O)CC3(CCC3)C2)CC1	2063722248	XTGWACOKJDZABX-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@@H]1C[C@@H]2CC[C@@H]2C1	2068721607	BBFMCDDUPGLRHY-CAOSSQGBSA-N	246.394	4.518	0	10	BJAE	
CN[C@H](CC1(C(C)C)CCC1)[C@@]1(C)CC=CCC1	2071942565	FSYNNRDRUCUIEK-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@]1(C)CCCC(C)(C)C1)c1ccccc1	2072617253	NBIHUDAKRXBZOP-WMLDXEAASA-N	245.410	4.696	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@@H]2CCC3(CC3)C2)CC1	2072796884	TTZRRPAYKNGRCQ-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2073341551	KUIGLGCXVLUJIE-TWMKSMIVSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](C[C@]12CCCC[C@@H]1C2)C1(C)CCC1	2074025856	QUKLHYZQZYQKFP-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@@]23CCCC[C@H]2C3)CC1	2074029648	OSRZTXHFSKMWAC-FXUHHZDVSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](NC)C2CCC3(CC2)CC3)CC1	2074650052	ZTDFJCICQOFCKF-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@H]1CCC12CCCC2	2074901968	ZQKSWKDNPHOVHA-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CCCCC23CCCC3)C1	2074906912	UWSYOMBAXGWFDT-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
CCCCCCN1CC(C)(C)Cc2ccccc21	2075086704	QAQXKDRGBXZSRE-UHFFFAOYSA-N	245.410	4.656	0	10	BJAE	
C[C@@H](N(C)[C@@H]1C=CCCCC1)C1(C)CCCCC1	2075406546	BNDSUNUPGFABAK-HZPDHXFCSA-N	249.442	4.776	0	10	BJAE	
CCCN(C[C@H]1CC12CCCC2)C1CCCCC1	2076588649	XWPYRNZGXBKXPX-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C1=C[C@@H](CNc2ccccc2C2CC2)CCCC1	2077261667	BVQLQSGEUKUOHZ-CQSZACIVSA-N	241.378	4.722	0	10	BJAE	
c1ccc(C2CC2)c(NCC[C@@]23CCC[C@@H]2C3)c1	2077265490	UVOYDVCVEDEECM-RHSMWYFYSA-N	241.378	4.556	0	10	BJAE	
CC1(C)C[C@](C)(CC[C@@H]2CCCC3(CC3)C2)CN1	2078855625	GEPVZIKEVDIHEX-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@@H]1C[C@@H]1C(C)(C)C	2079843608	ROBVXZDDOMJTTL-RZLSGREXSA-N	248.410	4.620	0	10	BJAE	
CC1(C)CC(C(=O)C[C@H]2C[C@@H]2C2CCCCC2)C1	2079862395	IIGLLKLYUJVNOQ-UKRRQHHQSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(C)c(CNCCCC(C)(C)C)c1	2082907708	LTPKAGLNJLQPNE-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)C[C@@H]3CCC[C@@H]3C2)C1	2082977511	ZTPXCPZIDQKDDC-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CCCCOc1ccc2occ(C(C)(C)C)c2c1	2086606191	QOGQWHWYCMKLPG-UHFFFAOYSA-N	246.350	4.909	0	10	BJAE	
CC[C@@](C)(CN)CCCCCCCC1CC1	2212450875	OYCWHMLOETYHBJ-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CCCCC1(CN[C@@H](C)CC)CCCCC1	2212584735	BNJNOEOFQWSTIE-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
Fc1cc(Cl)ccc1CC=Cc1ccccc1	2213824417	GNCPGQZLQLOOFI-UHFFFAOYSA-N	246.712	4.735	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H]1CCCCCCCC1=O	2215324472	LCLDWJDKLHZEIQ-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCC)CCC1(C)CC(C)(C)C1	2215396483	SYWYXWSFMRXKIA-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC(C)C)CC=C(C)CC1	2215827324	VETJOYLTUABSMX-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CN[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216256580	IICCNZHTNKOMOG-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](O)CCCCCCCC1CC1	2216891964	CEJJWHCWEKVIDV-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)CCCCCCC1CC1	2218733898	YNLRXCPZHFVHAL-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2220298651	JZXRTOWYKSIJDB-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CC)[C@H]1C=CCCC1	2220878088	MBIJKNLGXOGSDB-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1CCCCC1)C1(C)CC2(CCC2)C1	2221003429	SMPVDFYRXWUXJS-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]1CCC[C@H]1CC1(C)CC2(CCC2)C1	2221040337	NUIWKVYENKIIKY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H]1CC[C@H](C)C1)[C@]1(C)CC=C(C)CC1	2221634033	WZULDGFALMIREO-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)c1csc(C)c1C	2242645387	VDBSGHJPSXZVKG-AWEZNQCLSA-N	240.412	4.543	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cc(C)cc(Cl)c1	2244782560	IDFYJRMQJQTFPF-NSHDSACASA-N	238.758	4.657	0	10	BJAE	
CC(C)CCC[C@H](O)CC[C@@H]1CCC[C@H](C)C1	2246697485	XLSRXOZNTPNLLS-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCNCC(CC)(CC)CCCC[C@@H]1C[C@H]1C	2247164935	KRTDBIJBYDXNBW-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCCC[C@@H]1C[C@@H]1C	2247174601	WSUFLKROXGJXPR-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CC[C@@](N)(CC1=CCCCC1)C1CCCCC1	2247493092	AXINAOINHPHUCM-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CC[C@H]1CCCC12CC2	2247666712	UJLHCENZUFXBNW-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCC(O)(CCC)CCCCC[C@@H]1C[C@H]1C	2248881581	ZKHQXWREQJIHIB-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(F)CCCN	2250480001	AQXCKGOFJPBMOS-CABCVRRESA-N	245.426	4.696	0	10	BJAE	
CCCCC[C@](C)(N)C[C@]12CCCC[C@H]1CC2	2251215414	LCAQVZKTILVGEV-HRCADAONSA-N	237.431	4.645	0	10	BJAE	
CC1CC(C)(C[C@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2253683091	IRSNJYWWQGBOEO-DSIITGHMSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CN(C)CC[C@@H]1CCCCC12CC2	2253862042	HGTHXVGQTSTSSS-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1CC2(CC(C)C2)C1	2254455346	SDZXUKASELDVGO-LBFCRXEYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1C[C@@H]2CCCC[C@H]2C1=O	2254507303	AYFJXSUXSWUVIH-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCN(CCCC[C@H]1C[C@H]1C)c1ccc(C)cc1	2254588967	UFERRPVYGOSNEM-CVEARBPZSA-N	245.410	4.648	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CC2=CCCCC2)CC1	2255090611	BMZOEUQRHSAEQI-DOTOQJQBSA-N	249.442	4.955	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@H]1CCCC12CC2	2255242015	BVJZJHVGIZOVNB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCCC12CC2)CC1CC1	2255291148	MMWIUYXENDQXMU-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc(C)c1C	2258234835	WQJNQHJCEBCPIR-ATCWAGBWSA-N	245.410	4.848	0	10	BJAE	
Cc1ccccc1C(=O)C[C@]12CCCC[C@H]1CC2	2260577612	GQQVXOCKPRPZBT-WMLDXEAASA-N	242.362	4.538	0	10	BJAE	
Cc1cccc(NC[C@@]23CCCC[C@@H]2CC3)c1C	2260578323	KZYHSBPFDNFFPX-WBVHZDCISA-N	243.394	4.686	0	10	BJAE	
CC1=C[C@@H](N[C@@H]2CC(C)(C)CCC2(C)C)CCC1	2261395439	OGLNQGCCVKHGHR-LSDHHAIUSA-N	249.442	4.680	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	2298411025	GUERZPZOMWJWMC-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC(=CC[C@H](O)CC(C)(C)C)CCCC(C)C	2300870832	YTDHNPJZOOTCSR-HNNXBMFYSA-N	240.431	4.946	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@@H](C)[C@H](C)C(C)C	2301841649	WOPBCHMCBOYLOB-QKPAOTATSA-N	242.447	4.738	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)[C@@H](C)[C@H](C)C(C)C	2301898175	XKIONVRBSCNTTA-CBBWQLFWSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CC(C(=O)CCCC2=CCCCC2)C1	2302359008	MHKZEZWLFRCHLX-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC[C@@](C)(CNCC)C[C@H]1CCC(C)(C)C1	2302871150	HJGPMXGTSQRXKP-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCc1cscc1NC[C@H]1C(C)=CCC[C@@H]1C	2302882296	HYNFKMLXBRMLJA-JSGCOSHPSA-N	249.423	4.715	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303455666	XXYODBYRUDGVCC-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@H](CC[C@H]1CCC(C)(C)C1)NC	2304436915	OGXZIUIFURJTAT-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C)(c2nc([C@@H]3C[C@H]3C)cs2)CC1	2307683625	NAGZCCYBRYDXIW-HFXYEQLZSA-N	249.423	4.734	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CCC[C@H](CC)C1	2307831417	KFPJXVXXRVGAIJ-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C[C@@H](CC)C(C)(C)C	2307893198	HGPKTLOTHJDZRE-RRFJBIMHSA-N	241.463	4.993	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1CCCC[C@H]1CC	2307908773	ILHBXAPTJRFNFT-ZJIFWQFVSA-N	239.447	4.747	0	10	BJAE	
CCCCc1ccc(N[C@H]2CC[C@@]3(C)C[C@@H]23)cc1	2310550724	SOTRQAUDOUSMNT-ULQDDVLXSA-N	243.394	4.630	0	10	BJAE	
C[C@H]1CCC[C@@H](C[C@@H]2C[C@H]2C2CCCCCC2)N1	2311570419	KHGTYYWSWBMBES-ORQFMDKSSA-N	249.442	4.514	0	10	BJAE	
CC(=CCN[C@H]1CCC12CCC2)CCCC(C)C	2316491853	QIBXXPPBKFNAGK-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2316539324	IYFFLVYDKWBVNY-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CC(=CCC[C@@H](N)c1ccco1)CCCC(C)C	2316549401	JHARCBRHSDBSPD-OAHLLOKOSA-N	249.398	4.832	0	10	BJAE	
CCCNCCC=CC[C@@H]1C[C@H]2CCC[C@H]1CC2	2316998469	KFQMFLKXCOKIKY-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317209303	PZQDBLAWCIMOFL-NCOADZHNSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cc(F)ccc1C(C)C	2317929096	VXZAJQIGPSRTSE-AWEZNQCLSA-N	249.373	4.940	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@@H]1CC12CCCC2	2317964327	GLNWUJQTARRXHW-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(OCC[C@H]2CC[C@@H]2C2CC2)c(C)c1	2319752214	WOTBVJGIBHBMNP-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
CC1=C(C)C[C@](CNC(C)C)([C@H]2CC2(C)C)CC1	2320265773	MWOFTFSRGBZGEB-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)CC[C@H]2CCCC[C@H]2C1	2320384908	IGNVJHYKQSNNDX-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)[C@H](C)C2CCCC2)CC1	2320395516	ADEKCQIAEBIZGY-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)c1ccccc1CC	2328200328	NOVVJKDRKAXJJG-WMLDXEAASA-N	248.410	4.673	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1CC=CCC1	20563322	MVFHWKDCFIIOKH-CQSZACIVSA-N	229.367	4.578	0	10	BJAE	
Cc1ccc(NC(CC(C)C)CC(C)C)cc1	21010411	UBNKPCZHTJJQDV-UHFFFAOYSA-N	233.399	4.868	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCc2ccccc21	21018363	DDCXFVBFYFCFPZ-WMLDXEAASA-N	245.410	4.622	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@@H]2CC=CCC2)cc1	21510395	NUDKPBFRTATJKX-CQSZACIVSA-N	243.394	4.752	0	10	BJAE	
CCCN[C@H](c1c(C)cc(C)cc1C)C(C)(C)C	35582090	IBYLOFCMRGHZFC-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CC[C@H](C)CN[C@@H](CC(C)(C)C)c1ccccc1	37128433	UCFRMRPNVMBEBF-HOCLYGCPSA-N	247.426	4.800	0	10	BJAE	
COc1ccccc1Nc1cccc2ccccc12	39394861	VJJCVUUDFXDEPO-UHFFFAOYSA-N	249.313	4.592	0	10	BJAE	
CCC1CCC([C@@]2(O)CCC[C@H](CC)C2)CC1	85078095	XBKAKKBJXXMOQL-BHDPWAOGSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(O[C@H]2CCC[C@@H](CC)C2)cc1	85150839	QPVZQMZKQZJENE-ZBFHGGJFSA-N	232.367	4.597	0	10	BJAE	
C[C@H]1CCC[C@H](Oc2ccc(C(C)(C)C)cc2)C1	85151249	REVMCVILOMXQRA-BBRMVZONSA-N	246.394	4.942	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1cscc1C	87288194	GRINEBBGPGIFQK-JSGCOSHPSA-N	240.412	4.696	0	10	BJAE	
CCC1CCC(N[C@H]2CCCCC[C@H]2C)CC1	88506316	RCRSJMZFXSZIPW-LMPOIIKSSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCCC[C@@H]1C	88509906	WNFXJARVGVXYAS-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CCC1CCC(/C=C/CCNC(C)(C)C)CC1	93674049	NGOAETJJXMBNGS-SOFGYWHQSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](/C=C/CCNC(C)(C)C)C1	93674172	UJJCEVWXKVSYRE-SIEMXDPISA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1CCCC[C@@H]1C	103976628	USXIYSQLBKVCIH-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@H]1N[C@@H]1CCCC[C@@H]1C1CCCCC1	103990752	LNBDBCVHKPODOP-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H](CNC(C)C)CC1CCCCC1	104003386	NSYVAIOCOMKDIZ-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c2c(Cl)c(C(C)C)c(C)nc2c1	109692877	JVVPEEQLHUMJIN-UHFFFAOYSA-N	247.769	4.937	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1CCC(C)CC1	111746080	KOKFYORTMWHRBL-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
Cc1c2ccsc2c(C)c2ccsc12	113305443	KIXYFUIWGAMYTM-UHFFFAOYSA-N	218.346	4.733	0	10	BJAE	
CCCC[C@@H](NCC)c1cccc(CC(C)C)c1	165939950	NAROMFJMGXYCMM-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](C2CCCCCC2)C1	167552071	MXJWUXJYNUZYPY-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCCCCC(=O)c1ccccc1C(C)C	220662948	FABNHHWALCIVKJ-UHFFFAOYSA-N	232.367	4.963	0	10	BJAE	
CC[C@H](C)c1ccc(OCc2cccs2)cc1	232358070	MAOHKESLCIACRD-LBPRGKRZSA-N	246.375	4.841	0	10	BJAE	
CCCC[C@H](CC)c1c[nH]c2ccccc12	232994812	VTTGGRITVYSIHA-LBPRGKRZSA-N	215.340	4.852	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)C1CCCCCCC1	233350378	USJFEYFUQRZRGK-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@H](C)c1ccccc1	233525298	LVNOMFTZIUKELX-WBVHZDCISA-N	247.426	4.595	0	10	BJAE	
Cc1cccc(OC2C[C@@H](C)C[C@H](C)C2)c1C	235311553	INLBAKOSGSUYKR-RYUDHWBXSA-N	232.367	4.507	0	10	BJAE	
C[C@H]1C[C@@H](CCC(C)(C)C)c2ccccc2N1	235696891	IAQWWTMEBHLJNH-QWHCGFSZSA-N	231.383	4.801	0	10	BJAE	
C/C=C/C[C@@H](CC)c1ccc(CC)s1	238272106	WYMORJKNQUXJHP-TZOMUSMUSA-N	208.370	4.770	0	10	BJAE	
CCCC[C@@H](C)C(=O)C1CCC(CC)CC1	300954996	PNIQJSKLYQKUPJ-IYXRBSQSSA-N	224.388	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCC2CCCC2)CC1	302242644	GFFKUVSDBCNLOH-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CCCCC[C@H](O)c1ccccc1	302307868	OGVWOQWXQZOQQL-HNNXBMFYSA-N	234.383	4.717	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@@H](CC)C2)cc1C	302309852	NUHMTVVMTCTRLC-ZBFHGGJFSA-N	245.410	4.938	0	10	BJAE	
CC(C)C[C@H](C)CC(C)(C)CCNC(C)(C)C	302327792	KMBGMGHZZHHOHV-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@H](C)CC2)c1F	305942086	FMBHEWGZQSIPQS-WCQYABFASA-N	235.346	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C1CCC(C)CC1	308080577	BTRDDYFJHJMVKF-YMAMQOFZSA-N	238.415	4.844	0	10	BJAE	
CC1(C[C@@H](O)c2ccccc2C2CC2)CCCC1	311154171	NZBJVJORCIQEHQ-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
C[C@@H]1C[C@@H](CC2(C)CCCC2)Nc2ccccc21	311219328	NOHAEOVAJMYJTH-KGLIPLIRSA-N	243.394	4.945	0	10	BJAE	
CCC[C@@H](Nc1ccc(F)c(C)c1)C1CCCC1	313412663	QCPYCRCEIPRROY-MRXNPFEDSA-N	249.373	4.905	0	10	BJAE	
CCC[C@H](C)CC1(CNCC)CCC(C)CC1	316972956	GIUUYIBVQFZUAU-PCKAHOCUSA-N	239.447	4.619	0	10	BJAE	
CCCCCC1(CNC)CCCCCCC1	317985172	LZNLYCZEOKWYCW-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
CCOc1ccc2c(ccn2[C@@H](C)[C@@H](C)CC)c1	319573384	HLMXGQAXBHVKIG-STQMWFEESA-N	245.366	4.647	0	10	BJAE	
CC[C@@H](C)[C@H](C)Oc1ccc(C(C)(C)C)cc1	319624585	OQMBBIIHRWHWPA-OLZOCXBDSA-N	234.383	4.798	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@@H](C)[C@H](C)CC	319665764	GGXYOYLPIHFFEG-HZSPNIEDSA-N	226.404	4.700	0	10	BJAE	
CCC[C@H](Nc1c(C)cccc1CC)C1CCC1	322870155	VZEOHRPAQZYJDL-INIZCTEOSA-N	245.410	4.938	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1	381321091	XYDVIOZCAXADKY-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@H]1CNC(C)C	383206965	PDWKPPRRUYGJKD-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C)c1ccc(C2=CC[C@H](C)CC2)cc1	384987744	PDSYNAXALTUMMB-UONOGXRCSA-N	243.394	4.561	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1ccc2sccc2c1	386261609	VSCAGGPOCLDVLY-RISCZKNCSA-N	247.407	4.727	0	10	BJAE	
CCc1cc2c(CC)c(C(F)F)ccc2s1	396165782	GBDPYNDMYCXSNE-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCOc1cc2c(CC)csc2cc1Cl	396191271	OYUYXGFGWNERSJ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CC(C)c1ccc(N[C@H](C)[C@@H]2CC2(C)C)cc1	397636550	XELKGHORUPPDIT-DOMZBBRYSA-N	231.383	4.657	0	10	BJAE	
CC(C)c1ccccc1NCC=C(Cl)Cl	403480722	ROXXACOPYCBYMN-UHFFFAOYSA-N	244.165	4.541	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)CC1CCC1	688355552	HOJCGZINGAZQKD-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)c1cccc(C(C)C)c1	688950665	MOJUMSUQVLJNPC-WMLDXEAASA-N	247.426	4.882	0	10	BJAE	
CC(=O)c1cccc(-c2cccc(C(C)C)c2)c1	688979103	DGRNTZFKKIRURC-UHFFFAOYSA-N	238.330	4.680	0	10	BJAE	
CCC[C@@H](C)Nc1cccc(C(F)(F)F)c1C	689653550	HEBJBZDGQYBUSU-SECBINFHSA-N	245.288	4.614	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(O)CC1CCCC1	691128999	RVEFKUMNBKZYDE-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CCCC(C)(C)CC1	695100646	SYYILFBSPGUXGD-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCC[C@H](NC2C[C@H]3CC[C@H](C2)C3)CC1	697673522	SWAIGUGBQXPKKQ-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H](C)C(C)(C)C	697815967	LMKDZPHTESAIMR-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CC1(CNC2C[C@H]3CC[C@H](C2)C3)CCCCCC1	697956847	OZBVAPJFZFPFKV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cc2ccccc2s1	701248141	CUCULHHXKJEWSE-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc(C(C)C)cc1	701335848	DYUVEDMGNHRXDU-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@H](C)CC(C)(C)C	708257115	NTZFHFCREJVLHM-CZUORRHYSA-N	247.426	4.882	0	10	BJAE	
CN[C@@H](c1cc(C)cc(C)c1)[C@@H](C)CC(C)(C)C	708315230	HABOTTUSCYRSHY-GOEBONIOSA-N	247.426	4.636	0	10	BJAE	
C[C@@H](CNC1CCCCCCC1)CC(C)(C)C	709120742	CCNYUHAFUSRKER-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](N)(C[C@@H](C)CC(C)(C)C)c1ccccc1	709140009	FBMKTSNISRNSGK-WMLDXEAASA-N	247.426	4.713	0	10	BJAE	
CC[C@](N)(C[C@@H](C)CC(C)(C)C)[C@H]1CC1(C)C	709162934	ISWADCFWHAEBQK-XEZPLFJOSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C1(C)CCCCCC1	713185065	XEYFGOZYEMIUHM-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CC(C)C(C)(C)COc1cc(F)cc(Cl)c1	713255989	MMSYPIGKYNXDDS-UHFFFAOYSA-N	244.737	4.540	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1CCC[C@@H](C)C1	721691023	IWKHKYQWLDCRMV-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1CCCCC1(F)F	721733110	XMCUPDIKKOUXTM-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCc1ccc(CSCC(C)(C)C)cc1	1189332010	GPRCVSCZASCMOS-UHFFFAOYSA-N	236.424	4.918	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NCC2CCC=CCC2)C1	1203783504	UNEGAKAAVSJKCU-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CNC[C@@H]1CC=CCC1)C1CCCCC1	1655937669	QQYMDWLYMBSTIQ-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)c1ccc(C(F)(F)F)s1	1889469976	GPHKCIDHLUGHGQ-UHFFFAOYSA-N	222.275	4.671	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCC[C@@H](CC)C1	1900699976	GGYHTKSKGHLPSB-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CCN(C)[C@H](C)c1cccs1	1900711315	CHNQICUGJXHOOA-GFCCVEGCSA-N	239.428	4.567	0	10	BJAE	
CCC(CC)CCC[C@@H](C)CNC(C)(C)C	1900711580	FIFRUEYJUUIEAR-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@H](O)CCCC1=CCCCC1	1901966126	GRDFXVDRNGOQNP-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CCc1cscc1N[C@H]1CCCC(C)(C)C1	1902390574	LMNGJTMNBFCZJS-LBPRGKRZSA-N	237.412	4.691	0	10	BJAE	
Cc1sccc1OCC1CC(C(C)(C)C)C1	1904932262	QQNNTWTWEXUVBU-UHFFFAOYSA-N	238.396	4.508	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@]3(C)C[C@@H]23)cc(C)c1Cl	1908784293	BAXAGNWOJJOMQU-GUTXKFCHSA-N	249.785	4.557	0	10	BJAE	
C=CC=CCC[C@]1(CNC(C)(C)C)CCC[C@H]1C	1911928360	XUHBCKNHEBQDDT-NVXWUHKLSA-N	249.442	4.703	0	10	BJAE	
CCN[C@@H](CCC=Cc1ccccc1)C(C)(C)C	1911976463	WLMVVBTUTYYXRV-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CCC1CCCCC1	1919963975	ZZMJVIGJDPUOKA-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@](C)(N)C1C[C@H](C)C[C@@H](C)C1	1920183231	SDQHNDAAZGFTNF-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@](C)(N)Cc1ccc(C)c(C)c1	1920189190	WJYYTEQWZPOQMS-QGZVFWFLSA-N	247.426	4.534	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@H]1CCCC12CCC2	1921594000	BCKTTYBRPVUBMP-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@]1(CNC2CC2)CCCC12CCC2	1921611246	SCEHCAALZDBIAA-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
NC[C@]1(CCC2CCCCC2)CCCC12CCC2	1921656032	CIEBFEUKNANQRA-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
NCC1(C[C@@H]2C=CCCCC2)CCCCCCC1	1925919561	FNRLIVBQJOEIED-MRXNPFEDSA-N	249.442	4.812	0	10	BJAE	
CCC(CC)CCNCC1CCC(CC)CC1	1926160228	VRKOZMRMUZODPY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(=C(F)F)C(c1ccccc1)c1ccccc1	1927579663	USWBZRYZYFRYDP-UHFFFAOYSA-N	244.284	4.989	0	10	BJAE	
CCCCCNc1cc(C)c(Cl)cc1C	1933590124	JYYIXHHOTXBTFT-UHFFFAOYSA-N	225.763	4.559	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](C)Nc1ccc(F)cc1	1940248877	OIMZJPHVLKUVMQ-GFCCVEGCSA-N	237.362	4.554	0	10	BJAE	
CCC(C)(C)CCNCC(C)(C)C1CCCC1	1940762677	JZDNEOZVIFGIAH-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@@H](CCC)C(C)C	1941263015	LOSWRRNPPKMOJY-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCCCc1ccc(NCCC2CC2)cc1	1941375789	OFAIULKXPRBRCG-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C(C)(C)C1CCCCC1	1944618381	MOINXZINSOOTEY-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@@H]1CCC(C)(C)C1	1945584405	FWFFQSJUDITCCN-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H]1[C@@H](CC)[C@H]1C	1945692710	KSVZRHULWYFCHO-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCS[C@H](C)C2)c1	1946352886	IZPDUDIATGNKNW-DOMZBBRYSA-N	249.423	4.506	0	10	BJAE	
CCCCCCN[C@@H]1CCCC2(CCCC2)C1	1946455089	KTYAKVTVXUNMNG-OAHLLOKOSA-N	237.431	4.659	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCCCCCC1CC1	1947462311	LVHQDVMLRUYDRZ-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCC(F)(F)CC1	1948121146	QNCPOAOFRUYTMG-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1cccc(C)c1C	1948945343	PMPHQDGRFPNUNM-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H]1CCC(C)(C)C1	1949494609	YRUOZRYWPFUDEK-CYBMUJFWSA-N	227.351	4.701	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@@H](C)CC)CCC1(C)C	1949654232	RTSRUCNDXZALIA-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1CCC=CCC1)C(C)C	1949824013	SKTUBDQTAJBDTJ-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CCC[C@@H]1C=CCCCC1)C(F)F	1957934132	DUCSXNMIPRYOLI-NWDGAFQWSA-N	216.315	4.804	0	10	BJAE	
Cc1cccc(CN(C)[C@H](C)CCC(C)C)c1C	1963004582	ABTPNHKKZWTSQD-OAHLLOKOSA-N	247.426	4.560	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCCC3(CCC3)C2)c1	1968230712	UUBRBOZURRTCPX-HNNXBMFYSA-N	243.394	4.828	0	10	BJAE	
CCC(CC)N(CC)CC1CC(C(C)(C)C)C1	1969519294	WUBNIFQVWBDZOY-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCCC3(CCC3)C2)C1	1969843494	BQGILORQBFPNOP-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCC1(CNC2CC3(C2)CC(C)(C)C3)CCC1	1971565337	AZZXLFHSTDOMLE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cc(C(F)F)cs1	1983698545	DFURTAVXJISOQK-YUMQZZPRSA-N	246.322	4.551	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2CC(=C3CC3)C2)C[C@H]1C	1985534511	KEMKFFFKPMHOTA-JHJVBQTASA-N	218.384	4.949	0	10	BJAE	
CCCC[C@](O)(CC)CCC1=CCCCC1	1991144951	YWLVQSZAQNSACG-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CC[C@H](C)C1)NCCC	1996259349	GROZHTODIDERAY-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)[C@H](CC[C@@H]1CC1(C)C)NCC	1996602014	BINYWCAWEDOITR-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@@H]1CC=CCC1	1997545383	BYJHCQPVTBUWQU-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@]1(C)CC=CCC1	1997552925	UXNXKVLCGGQBAP-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(N)([C@H]2CCCC(C)(C)C2)CC1	2000061156	BUYODFKLZOQJLT-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@@H]1CCC(C)(C)C1	2000324815	WRYKAUXFRWXREU-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](c1ccoc1)C(CC)(CC)CC	2000389253	BHLWFWLXUDAVBT-AWEZNQCLSA-N	237.387	4.537	0	10	BJAE	
CCNCC(CC)(CC)C[C@H]1C=CCCCC1	2000504068	DNLUUAPAZAEFGH-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](C)(CNCC)[C@H]1CCC(C)(C)C1	2000506473	BBUJKDMIMVXLOZ-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)CC1(CC)CCC1	2000514823	OELNWHGXYWQHLB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCC1(O)CC2(CCCCCC2)C1	2000668923	DAVNKZDGEATYNS-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@@H](N)[C@H]1CCCCC12CCCCC2	2001579047	RVFQUMLVVPQSDO-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C1CC(C(C)(C)C)C1	2002304463	LUJGFNFUZPCLIA-ZUEPYMLJSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CC)C(=O)C1[C@H]2CCCCC[C@H]12	2002750556	RXMKPVWDHDHVJP-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@H](C)CCC(C)C	2003175540	KRXUWYCZRZGBBB-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@H]1CCC2(CC2)C1	2003199326	UPPHLAQHCQPREM-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@H]1CCCC2(CC2)C1	2003207220	CMIURINJDMBVNX-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1CCC(C)CC1	2004232732	GWSMHGARZPTSIA-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCC1(CC)CCC(O)(C[C@H]2CC2(C)C)CC1	2004354154	WEHHTOPPBTUNPS-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C)C[C@H](NCCC)C1	2006625479	XRVYLDQBNOUTAQ-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCC(C)=C(C)C)CC[C@H]1C	2006955684	CEDAZZGBZSBRCG-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H]([C@H]2CCCC(C)(C)C2)CC1	2009412136	VSMKRNOYQLJIGM-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CCCCC1CC(O)(CCCCCC2CC2)C1	2009714217	MWIWIRWQTVCIME-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@@](C)(O)CC1=CC[C@H](C(C)(C)C)CC1	2010714785	RSUOCTCKYNWTDN-HOCLYGCPSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2012010039	WFMCJVVDYSMORJ-ZSOGYDGISA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@H]1CC(=O)CC2(CCC2)C1)C(C)(C)C	2012084892	SKHRTQATKBBRIU-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
Cc1csc(C)c1C(=O)C12CCCC1CCC2	2012134594	HWJAMTVIUYZFSI-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
Cc1ccc(C(F)(F)F)c(C[C@H]2C=CCC2)c1	2012469548	RJJOWTZOZSKWPZ-NSHDSACASA-N	240.268	4.523	0	10	BJAE	
CC(C)C(CCC(=O)[C@H]1CC=CCC1)C(C)C	2015390305	KBOVSUBURGQMIU-AWEZNQCLSA-N	236.399	4.620	0	10	BJAE	
CCC1CCC([C@@](C)(N)C[C@H](C)C(C)C)CC1	2015395738	AYZGOUKDRQPCQO-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@@H]1C[C@@H](C)C(C)C	2015409052	NSUGLBAOQRWTAZ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1([C@@H](N)CCC2CCCCC2)CC1	2015753805	WMSZTRIJHMXNLT-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H]1CCC[C@H](C)C1	2016115595	SYVOMMJLYPMNSA-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)CCN[C@]1(C)CCCC(C)(C)C1	2017620303	VVTYHTAUXZSPHB-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(O)CCC[C@H]2C)CC1	2017650357	GFHBOFQAGFTLNU-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](C)(CNCC)C[C@H]1CC[C@H](C)CC1	2017725844	VBUOBVQMZFKNQD-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCCC1(C)C	2018138955	MRQDKHIGMHZBBI-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CCCCCC[C@H](C[C@]12CCCC[C@H]1C2)NC	2018576539	BCRKWGUGSSLSSJ-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@H](CC)C(C)C	2018989836	INYYKURLPCDFEC-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)C[C@@H]1CCC[C@H](C)C1	2019171235	BLCNAFSLPUBVHG-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@@H]1CCC[C@H]1C	2019192325	JKJLXHSBZRUUBQ-PMPSAXMXSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCCCCN1C[C@H](C)C[C@@H](C)[C@@H]1C	2019341433	ANIVHFSODMCCKA-OAGGEKHMSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccccc1C1CC1	2021026010	IIQOFUAZNMYYAN-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
CN[C@@H](CC=C(C)C)CC1CCC(C)(C)CC1	2023327183	JKSZRQVYBWQPBG-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CC(F)=C1CCC1	2023342780	VGKKVUYRODLFOJ-CQSZACIVSA-N	241.394	4.541	0	10	BJAE	
CCCCCC[C@H](O)c1cc(C)cc(C)c1C	2024065902	ARZNLGVVYJFIQE-INIZCTEOSA-N	234.383	4.616	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1CC1(C(C)(C)C)CCC1	2024613195	MKIAIMRRBTVZBI-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC1CC2(CC2)C1	2026166899	NDPCFLDPKYKPCV-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC1(c2nc(CC3(C)CC3)cs2)CC1	2026545444	YKHWNEVFAQAPHS-UHFFFAOYSA-N	249.423	4.563	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C1=CCCCCC1	2027737963	UXMOGLSPXBKNEQ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCc1ccccc1CN[C@@H](C)C[C@@H](C)CC	2027902505	ZPXHYAQSQUSFDB-GJZGRUSLSA-N	247.426	4.553	0	10	BJAE	
CC(C)NC[C@@]1(C2CCCCC2)CC=CC[C@@H]1C	2027921204	UPXUKTRJLXXNBU-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)[C@@H]1CC[C@@H](C)C1	2028896952	HZASKOQPRSHALT-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C(=O)CC2[C@H]3CCC[C@H]23)CC1	2032782109	GGGFXOZAKDCCGG-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(NC2CC(C3CCCC3)C2)c(C)c1	2033784352	SQKFBICVRIENEQ-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)cc1	2034266880	YQYAFJYAOVARCH-USXIJHARSA-N	243.394	4.630	0	10	BJAE	
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CC=CCCC[C@@H](NCCC)C1CC(=C2CC2)C1	2061650006	DGUMHTIRPTXTSY-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
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CC(C)=CCC[C@@H](C)N[C@H]1CCCCCC12CC2	2070398983	OSIBJWHOSLPWMY-CVEARBPZSA-N	249.442	4.824	0	10	BJAE	
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CCCCCC(C)(C)CN[C@H]1CC(C)(C)[C@@H]1C	2302081460	AXJWWMKCYADAFW-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)NCCCC1=CCCCC1	2302310103	ULEWMUGLYPDNQG-AWEZNQCLSA-N	237.431	4.681	0	10	BJAE	
CCC1([C@@H](O)C[C@H]2CCC(C)(C)C2)CCCC1	2302897293	YRVSCMQPGVWBGT-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@@H]1C(C)(C)C	2303398593	MUUDUTXGHZUFKZ-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CC[C@H]1C(C)(C)C	2303499065	LSVCADCBHULNSG-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CCCC[C@@H](N)C(C)(C)C)C1	2304447650	QCVIWOKIBNGDRR-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)COc1ccc2ccccc2c1Cl	2307638029	DKEPOQHTTWMLSH-LLVKDONJSA-N	248.753	4.918	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@H]1CC[C@@H](C)C1	2307819824	QCXAHCZKQLDDDY-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CCC(C)C)C1CC1	2307825617	CSSXWETYVLRKCO-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CCC[C@@H](CC)C1	2307831416	KFPJXVXXRVGAIJ-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@]12C[C@H](C)[C@@H]1C2	2308839777	NRSXKYCMDUVKKY-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)C[C@@H]3CC[C@H]2C3)CC1	2311023068	UFIWPBGUAUKBCI-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C(=O)C[C@@]12CCCC[C@@H]1CC2)C1CCCC1	2313321330	MIIPMTZFFQKDDT-UNEWFSDZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@](N)(C[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2313347131	PPCYKCSDQJKRIT-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
CCCC1([C@@H](N)C(CC2CC2)CC2CC2)CCC1	2313584145	NPSSCKXTLOORAG-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H]1CCNC2(CCCCC2)C1	2313595556	AGNUDDVFSJCHAO-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CC1)N1CCC[C@@H]1C1CCCCCC1	2313605215	WSKSXMUNNYLEGY-WMLDXEAASA-N	249.442	4.610	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1ccccc1C1CCC1	2316536215	LAZGIOZXUUIELQ-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CN[C@H](CC=C(C)CCCC(C)C)[C@]12CC[C@H]1C2	2316578889	JWCRRXBAFDBIBB-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@]1(CN)C[C@H]2C=C[C@H]1CCC2	2316771524	SHFMFJHRKRAVNU-BRWVUGGUSA-N	249.442	4.524	0	10	BJAE	
CCc1occ(C)c1[C@@H](N)CC1CCCCCC1	2317004920	RECJATVSMGKEJA-AWEZNQCLSA-N	249.398	4.511	0	10	BJAE	
CCC[C@H](N[C@@H](C)[C@@H](C)C(C)C)c1ccccc1	2317631279	WVWFXYUOJOLZSP-ZOBUZTSGSA-N	247.426	4.798	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@@H](C)[C@H](C)C(C)C)c(C)c1	2317828637	SZQGRZFTTDSIPE-HLLBOEOZSA-N	248.410	4.573	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1NCCCC1=CCCCC1	2318531750	OWELCJHOWIXYGT-HUUCEWRRSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)CCCC1=CCCCC1	2318592221	GQMSBTMEDNOFHC-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCCNC[C@@]1(C[C@H]2CCC(C)(C)C2)C=CCC1	2319069424	YVQOPADSYVQXBB-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)C[C@@H]2CCC23CCC3)C1	2319124359	RNXVLCJPYWONHT-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1CC[C@@H]1C1CC1	2319580935	KWPSEXBIRFGBAW-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1[C@H](N(C)CCCC2=CCCCC2)CC1(C)C	2319879937	CEXBBTXSWBUTMU-GOEBONIOSA-N	249.442	4.633	0	10	BJAE	
Cc1c(F)cccc1NC[C@@H]1CC[C@H]1C(C)(C)C	2320239478	DOLPXWZUZDEXNZ-QWHCGFSZSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@H](C[C@](C)(N)C2CCCCC2)CC1	2320337013	JRWKZNAXHYUDGS-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](CC[C@@H](N)C2CCCCC2)CC1	2320412437	JGSZYLCQLSLKCY-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](O)c1cccc(C(C)C)c1	2320515075	JPDOVVHPZCMTKD-UKPHBRMFSA-N	246.394	4.670	0	10	BJAE	
CC(C)CC12CC(C(=O)C3(C)CCCCC3)(C1)C2	2321637774	VBWWNVKXCDJDFL-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CCCC[C@]2(C)O)c1	2327681110	IYCWMQYSYSDRNW-IRXDYDNUSA-N	246.394	4.527	0	10	BJAE	
CC[C@H](C)[C@H](N)c1ccc(C2CCCCC2)cc1	21815697	OBDIGBYQOIFCEV-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CCCN[C@H](c1cc(C)ccc1C)C(CC)CC	35581705	CJRZHOLXMRQLKB-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CC[C@H](C)CN[C@H](C)c1ccc(C(C)(C)C)cc1	36921606	HBZYBHNKBKUBGN-UONOGXRCSA-N	247.426	4.681	0	10	BJAE	
CCCC(CCC)N[C@@H](C)c1ccc(CC)cc1	36958462	FJOOOLIETRBYLC-AWEZNQCLSA-N	247.426	4.868	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCCC[C@@H]1C	36974285	INLHMFJFKVJDDB-ZFWWWQNUSA-N	231.383	4.630	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)C2CCCCC2)c1	37212476	AXFXRPJZRZMCGS-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
Cc1ccc(F)c([C@@H](C)c2ccccc2)c1Cl	75841658	KIALOZZCDCOFJU-NSHDSACASA-N	248.728	4.939	0	10	BJAE	
CC[C@H](C)c1ccccc1NCc1ccccc1	83367367	BUNMZWKLNCDADX-AWEZNQCLSA-N	239.362	4.812	0	10	BJAE	
CC[C@H]1CCC[C@@H](C[C@@H](C)CNC(C)(C)C)C1	84140618	ILYGKVOEZMFOMW-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCC[C@H](C)CC1	86882035	OWNOWIQIOXSLCI-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC(C)(C)C1	87773233	MXESKFUKEWYSJU-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@]1(C(=O)O)CCC[C@@H](CC)C1	87975666	FAPZDMDYIVPMOM-HIFRSBDPSA-N	240.387	4.628	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](N)CCC(C)C)cc1	90483067	LHTBEGPXYDICEA-MRXNPFEDSA-N	247.426	4.810	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)(C)C)c1ccc(C)cc1C	111647660	SDFWYVOCMUWMPM-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
CCCCCC[C@H](NCCC)c1ccoc1C	132845958	ILPWVPLYFYNLEE-HNNXBMFYSA-N	237.387	4.599	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1Cc2ccccc21	167751516	FZVOIFSEKUOMLH-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
C[C@@H](NCC(C)(C)C)c1cc2ccccc2s1	169181838	DRXJZGMXDOJZLU-LLVKDONJSA-N	247.407	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(OCC=C(C)C)cc1	199760016	BTTLURCXABVHLF-ZDUSSCGKSA-N	218.340	4.545	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CC[C@@H](C)C[C@@H]1C	221729289	PIVNBDSAWUCLMF-QKPAOTATSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](C)NCC1(CC)CCCC1	232966926	CCIYUTFGMXLQDV-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
Cc1ccc(-c2scc(C#N)c2C(C)C)cc1	259381803	FNCBQQJQNSMEHA-UHFFFAOYSA-N	241.359	4.719	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@H](C)C1CC1	300142123	SRWFVMFNEPPTOY-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc([C@@H](N)C(C(C)C)C(C)C)cc1	306116249	YYSVXPHUPVZCNP-QGZVFWFLSA-N	247.426	4.567	0	10	BJAE	
Cc1cc(Cl)c(C(F)F)c2sccc12	307523070	DBYBQRLDRNYQQH-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC1CCCCCCC1	310306565	RKEROBQJOXHJCN-CQSZACIVSA-N	239.447	4.904	0	10	BJAE	
CC(C)c1ccccc1C(=O)CC1CCCC1	310400388	GMFRBSKTHUOBTH-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)C2CCCCCC2)C1	310556598	YPHKZIRLRIEXJB-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C/C=C\CCN[C@@H](CC(C)(C)C)c1ccccc1	310597053	WIXGAWVUYZTTDU-KJPDOMRESA-N	245.410	4.720	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@@H]2CCC[C@@H](C)C2)c1	310784811	SMUONJJBVMTGAF-IUODEOHRSA-N	244.378	4.703	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@H]1CCCCC12CCCC2	310904102	WTWWDZLGCWMUPR-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccccc1C(=O)C1(C)CCCCC1	311040709	GMYPJWMODYHZPJ-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCCC(C)(C)C)CC1	313263650	DFSDJLQRSYXYAV-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC1(CNC2CC2)CCC(C)(C)CC1	319099884	VSRRIDXARIENMS-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H]1Nc1ccc(Cl)c(Cl)c1	379947316	DPYOCTNGDMRYMI-NSHDSACASA-N	244.165	4.594	0	10	BJAE	
Cc1ccccc1N[C@H](C)[C@H]1CC2CCC1CC2	382101722	JZPOFIJLPDYIQN-PRLABOORSA-N	243.394	4.622	0	10	BJAE	
CCCCC[C@@H](NCCC)c1cc(C)cs1	382123647	UQIQCICDPLDTRM-CYBMUJFWSA-N	239.428	4.678	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@@H](C)c1ccccc1	384332525	UXNSJXJBIFMBPE-PBHICJAKSA-N	248.410	4.758	0	10	BJAE	
CCCc1ccccc1[C@H](N)C(CCC)CCC	384659706	OKBBBEIGTQNBIG-QGZVFWFLSA-N	247.426	4.855	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCC(C)(C)C1CCC1	385022856	INPNAEAQEUFKPT-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@H]1N[C@H](C)CCC(C)(C)C	386262218	MXTOMLVCJILWDE-MJBXVCDLSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1ccccc1C(C)C	393857327	VUCHHKACCDZZJC-XJKSGUPXSA-N	233.399	4.507	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2C[C@]2(C)CC)CC1	397488551	XNPNJCVNZFUOEQ-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CC(C)C1CCC(C(=O)CCC2CCC2)CC1	398641180	XEMXAKRAGGKDEL-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)c1coc2ccccc12	404289952	KGUCTARVWGODNS-BLLLJJGKSA-N	245.366	4.520	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)c1occc1C	688417782	FCZXSGGTYUROGP-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCCC[C@](C)(O)c1cccc(C(C)C)c1	688930125	ZWCJVOFTFHTNPL-INIZCTEOSA-N	234.383	4.598	0	10	BJAE	
C1CCCC(CNCCCC2CCC2)CCC1	688994399	XMSNSWXBERMYPZ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC2CCC3(CC2)CC3)C1	695702137	YIOJTOCXFWQFGM-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1csc(C)c1C	696577579	YLSMMDCFMJNBMT-ZDUSSCGKSA-N	239.428	4.581	0	10	BJAE	
CCCCC[C@@H](CCC(C)(C)CC)NCC	696647165	SIIZCUAMAJQSSG-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccccc1Cl	696661726	GKHXNZKOTMDDHJ-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CCC(C)(C)CCNc1cccc2c1CCCC2	696680707	YPAFXFONYOBPIU-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)C1(C(C)C)CC1	700168742	UJRQPVCWNRSSKY-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)c1cscc1Cl	710433030	NOEWPGBRBFAHDE-UHFFFAOYSA-N	244.787	4.657	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CC[C@@H]2CCCC[C@@H]2N1	712335531	RHIWUOJHYXWPRE-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)c1ccccc1C1CC1	713170053	GJDSIKQZILZBQC-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H]2CCCC[C@H]21	714306362	YTANDWUNPSKFEK-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1CCC(C(=O)C2CC3(CCC3)C2)CC1	717600764	KVEOTVASPQVTQZ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@](CC)(CO)CCC(C)=C(C)C	718562674	SIOMSWPELPPFIW-OAHLLOKOSA-N	226.404	4.702	0	10	BJAE	
CC(C)=C(C)CCc1cc(C)ccc1C	718751870	LCXBNBJCQGPQNM-UHFFFAOYSA-N	202.341	4.592	0	10	BJAE	
CC(C)C(C)(C)CN[C@@H]1CCCCCC1(C)C	719221855	NSIWVIUVAUFOHT-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@]12CCCC[C@@H]1C2	719263784	DJJGBTVQTRVAMP-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC1CCCCC1)[C@H](CC(C)C)NC	720423662	GSVURYXIABBWOY-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](CNC2CCCCCC2)C1	1461008924	GDGDWSFUJYDSFN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
c1ccc(CSCC23CCC(CC2)C3)cc1	1472971962	YVVOMTDEUBMHAU-UHFFFAOYSA-N	232.392	4.500	0	10	BJAE	
c1ccc2c(c1)CCC[C@H]2SCCC1CC1	1472980584	FKFLIHKFZYEOHR-OAHLLOKOSA-N	232.392	4.597	0	10	BJAE	
Cc1ccc(Cl)c(CCCC(C)C)c1	1889494523	YVRVNPCRLZZBFA-UHFFFAOYSA-N	210.748	4.627	0	10	BJAE	
CCc1cscc1N[C@@H]1CCCCC[C@@H]1C	1902381442	NOVFFIZGMMOUCL-WCQYABFASA-N	237.412	4.691	0	10	BJAE	
CCCCCC1CC(O)(CCC[C@@H]2C[C@H]2C)C1	1908527985	ODGFUXVWVDGGAH-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC(N)(CCC[C@@H]1C[C@H]1C)CC(C)C	1908553542	BHCWBQXRDVKPQA-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CCCC[C@@]2(C)O)CCC1	1909633221	UGNPUTDSYJOTIY-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)CC1CCCCC1	1910809336	KLRVWHDXCXYJAA-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
CCC=CC[C@H](CC)c1c(F)cccc1F	1911842051	CAHAGAIEIZECDJ-NSHDSACASA-N	224.294	4.815	0	10	BJAE	
CCC(=C[C@@H]1CCCC[C@H]1CC)CNC(C)C	1911883932	JPWVZTNKPCSUJV-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@H](CC(C)(C)C1CC1)NCCC	1911889897	WSDRWHXSMMPJHX-MRXNPFEDSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C2CC3(CCCCC3)C2)C1	1912644930	IGBQDZKJMWBCNU-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCC(CC)C[C@H]1CCCCCCCC[C@@H]1O	1913404977	QRXJRDAOSNPODD-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CCCC=CCNc1cccc2ccccc12	1914678576	WKQOLZNDWHRXOQ-UHFFFAOYSA-N	225.335	4.608	0	10	BJAE	
CC(C)C1CC(N[C@H]2CCC3(CCCCC3)C2)C1	1915863560	FBIZQCMVJIMTIB-PCKAHOCUSA-N	249.442	4.514	0	10	BJAE	
c1cc2cc(N[C@H]3CC[C@H]4C[C@H]4C3)ccc2s1	1917332093	QIIKUBGDHUIPRV-DRZSPHRISA-N	243.375	4.502	0	10	BJAE	
CCC[C@@](O)(CC[C@H]1CC1(C)C)C1CCCC1	1921552520	CZOWBDXRWIYTPZ-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](O)(CC[C@H]1CC1(C)C)C1CCCC1	1921552521	CZOWBDXRWIYTPZ-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@@H]2CCCC23CCC3)C1	1921610823	PQFQSIFYLUXLBE-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@H](C(=O)CC1(C)CCCCC1)C1CCCC1	1924131829	WEBBEQODSLHVSX-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@H]1C=CCCCC1	1925891825	KXJWJSGTVHSSAI-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCCC(F)F)CC(CC)CC	1926159484	LMGIXWLFRCEZKF-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCc1ccc([C@@H](O)C(CC)(CC)CC)s1	1937441431	BSEOOXYMHRHLLK-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)[C@@H](C)CC(C)C	1939034868	AZKHZHCBODIMJN-ZFWWWQNUSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](N)CC2(C)CCCCC2)C1	1940405920	BKDVEZFNGNUIQX-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)[C@@H](CC1(C)CCCCC1)NCC	1940412841	ATDJUGVHZYYEJB-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC1([C@H](O)CCC[C@H]2CC2(C)C)CCCC1	1940883411	NXIBPANTFVIBHI-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)[C@@](C)(O)C1CCC(C(C)(C)C)CC1	1941143589	CSEXEASONPYSGF-UWLZSVRSSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@](O)(CCCCCC2CC2)C1	1941579724	RAMGVOGVPLAPQH-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2(C)CC(C)(C)C2)C1	1941988370	QQLLBGCFXCQFDP-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@H](CNC(C)C)C1CCC1	1942094208	BBANOGLWMPZOJU-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC(CC(=O)CC2CCCC2)C[C@@H](C)C1	1944198332	GBLQXDDYDOAPLH-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)(C)C)C(C)(C)C(C)C	1944673917	RIVQDBHZQUYQHP-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
CC(C)CCCCCN[C@H](C)[C@H](C)CC(C)C	1948333901	VVOFSGIWJPTZHD-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](CCC1CC(C)(C)C1)NCCC	1948432339	YOUGDKWQIGVPDJ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(NC2C[C@@H]3CC[C@H]3C2)c(C)cc1Cl	1948824361	XMFLSCAYWFKRQT-RYUDHWBXSA-N	249.785	4.557	0	10	BJAE	
CC(C)CCCCCC(=O)CC1C[C@H]2C[C@@H]2C1	1950075879	CCWGSSPSXNHHQD-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(CNc2ccc(C(C)C)cc2)C1	1950521329	FRTZTBJULGSJCF-UHFFFAOYSA-N	231.383	4.658	0	10	BJAE	
CC[C@H](C)CC1(N)CC2(CCC(C)(C)CC2)C1	1950559797	LCSNKYGHHHNVFW-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C=C(C)C)[C@H]1CCCC(C)(C)CC1	1950915287	YXJVIWYITRWJIO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@@H](C)C(C)(C)C)CC1	1950925176	QYCWVEGZPDLOOT-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(C(C)=C(F)F)CC1	1956641604	QVMWFMGYJVSVDS-UHFFFAOYSA-N	202.288	4.763	0	10	BJAE	
C1=C[C@H](C[C@H]2[C@H]3CCCCC[C@H]32)CCC1	1960867471	AOYVWHVXKOTLMM-XQLPTFJDSA-N	204.357	4.559	0	10	BJAE	
C1CCC(CNC2C[C@@H]3CCCCC[C@H]3C2)CC1	1965862581	UADPECHZHOADJJ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(OCC2CC(C(C)(C)C)C2)cc1	1968345358	BEAYCMIRSMXFBB-UHFFFAOYSA-N	246.394	4.700	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@H]1CCCC2(CCC2)C1	1970477649	XZMVSGFHLFOKRY-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
F[C@@H]1CC[C@H](CNc2cccc(C3CCC3)c2)C1	1971535662	WFDSKWORPJHAAU-SWLSCSKDSA-N	247.357	4.504	0	10	BJAE	
CCC(CC)(CC)[C@@H](CCC=C(C)C)NC	1978525650	MBWKRITXYBBDAA-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@](C)(CN)C[C@@H](C)CC(C)(C)C	1978639688	RWBNCSUGCMIQFE-ZFWWWQNUSA-N	227.436	4.604	0	10	BJAE	
CCC[C@H](C)CC[C@H](N)c1cccc(Cl)c1	1980685997	YGJMQTXMAOTTGG-FZMZJTMJSA-N	239.790	4.556	0	10	BJAE	
CC[C@H](CCC(C)C)NCCC(C)=C(C)C	1986972292	XRYYHKRLUCQLCA-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@](O)(CC)c1cc(C)c(C)s1	1993981524	JUVALOMMGXITSG-CQSZACIVSA-N	240.412	4.543	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)C(C)(C)CC	1995262211	LOTAUGLUXHXTPW-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CN(C)C1(C)CCCCC1)CC(C)(C)C	1995763177	WNBKLABKKQJDSN-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CCN(C)C1C[C@@H](C)C[C@H](C)C1	1995888549	OBANRRCIZZTTSY-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@H]1CCC(C)(C)C1	1996593409	GRLSOCNNAOEFRM-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](N)[C@@H]1CCCC2(CCCCC2)C1	1996646552	DUHPDULHLUXRME-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H]1CCCC(C)(C)C1	2000040750	GSSHXWGXNVJARC-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC=CC[C@@](CC)(CCCC)CNC(C)(C)C	2000504344	HERTYAKSEJOQFJ-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCCCN(CC1(F)CCCCC1)[C@H](C)CC	2001386637	JQSKGKPZBOSLFV-CQSZACIVSA-N	243.410	4.559	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C[C@@H]1CCC12CCC2	2001854679	OZLMPEGZKCPTPX-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002220476	MKPFKHLPDRGYLD-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CCCCCCC(=O)C[C@@]1(C)CCCC1(F)F	2002581863	YSYPFIKVHNJSLQ-CYBMUJFWSA-N	246.341	4.742	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCCCC[C@H]1NC	2003098527	KLTYMIHBRMBIQQ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2CC[C@H](C)CC2)CCCCC1	2003102630	DFUBIABTOOOKCK-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@]1(C)C=CCCC1	2003321136	MKHKNXXMJWTIEJ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@H](O)C1(C)CCCCCCC1	2004920864	ORIFBIDTEZCHAV-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@H]2CCC[C@H](C)C2)C1	2006675006	XEXFOMVHALDXES-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C(C)(CC)CC)[C@@H]1C	2006983603	LVECXWUHYDBYJG-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](N)C1(C)CCC2(CC2)CC1	2007699672	YNXXZWLBKBFOKQ-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC[C@@H]2CC2(C)C)CC1	2009405263	WXBZDJMYVPZPBM-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCN(C)C1CCC(CCC)CC1	2009569170	MDUIAYKGWCDVGX-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CC=CCCC[C@]1(N)C[C@H](C)CCC1=C(C)C	2009570212	YFZZNQKEUBRRPM-ZBFHGGJFSA-N	235.415	4.587	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](CC)C[C@H](NCC)C1	2009617254	QMIMJNKGSPLZGQ-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(O)([C@@H]2CCCC[C@@H]2C)C1	2009714811	VREMEUJDCWMTEJ-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(N[C@H](C)CCC2CC2)C1	2009717291	HKPCNOCVTOKZHB-IUDNXUCKSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H]1NCCC12CCCCCCCC2	2009773239	QERYGIRBMYMSHW-OAHLLOKOSA-N	237.431	4.659	0	10	BJAE	
CC(C)(C)C(=O)CCCC12CCC(CC1)CC2	2012806351	QEBJTLDHFVCWIV-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@](N)(CC12CCC(CC1)CC2)C(C)(C)C	2012835506	DCGRQTCVMXUDTJ-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)CCC(C(C)C)C(C)C	2015347358	PMRSIZDLTUTELA-GOEBONIOSA-N	241.463	4.704	0	10	BJAE	
CCCC1(CC(=O)[C@H]2C[C@@H]2CC(C)C)CCC1	2015600171	YLHLZEUTXKEAPH-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@]2(C)C[C@@H]2C)CCCC1	2016442459	NQWGUFQLCHBDKT-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
CC1([C@H](O)CC2(C(C)(C)C)CCC2)CCCC1	2017114973	SAJLPNJNDPFZPZ-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@](C)(O)C2CCC2)CC1	2017647029	BPQRFROWKCUMDF-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@H](CO)CC(C)C)CC1	2017712845	SLHKZPUFUAHMHH-UYSNPLJNSA-N	240.431	4.638	0	10	BJAE	
C[C@H]1CC[C@H](CC2(CO)CCCCCC2)CC1	2017721001	WGEUVGPGWHWELH-SHTZXODSSA-N	238.415	4.536	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H]1[C@H]2CCCC[C@H]21	2018131071	RKZOIJWUWJAUFS-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC[C@@]12CCCC[C@H]1C2)NCC	2018578907	TWFZAOLUSCMSIU-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)N(C)[C@H]1CCC2(CCCCC2)C1	2019297122	HMPKVRZGSQTXAE-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CC(C)C[C@H](C)N(C)[C@@H]1CCCC(C)(C)CC1	2019300890	YANHQMOLTUIXDQ-LSDHHAIUSA-N	239.447	4.712	0	10	BJAE	
C[C@H](C[C@@H]1CCCC(C)(C)[C@H]1N)CC(C)(C)C	2020360938	KZWGSGLUCBIRHY-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@H]1CCCC(C)(C)[C@@H]1NCCC	2020364050	NVGUMHCACPJLFF-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCCC[C@H]1CC	2022556428	GDKVQLPXPISDLM-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H]1CCCCCCCC1=O	2022560974	SXUVYUHYCOTXCM-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C1=CC[C@H](C)CC1	2026167113	PAJFSXJFSNPVNE-OFQRWUPVSA-N	238.415	4.700	0	10	BJAE	
C[C@H](N(C)C1CCCCCC1)[C@@]12CCCC[C@H]1C2	2027017439	OQCURCMJOXRMHD-ZOBUZTSGSA-N	249.442	4.610	0	10	BJAE	
CCCc1ccccc1C(=O)CCCC1CCC1	2027903223	JMQLCGRLNCVGMM-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1ccc2ccccc2c1	2028237610	BCZVCPFSUZKOIH-SJORKVTESA-N	242.362	4.555	0	10	BJAE	
CC[C@@H](C(=O)c1cccc2ccccc12)C(C)C	2028253676	YVPCWSZTBCCPDW-CQSZACIVSA-N	240.346	4.705	0	10	BJAE	
CN[C@H](c1ccc(C2CC2)cc1)[C@@H](C)CC(C)C	2028596242	DJPWVWBEFISXDW-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
c1cc2c(cc1CCCCCC1CC1)NCCC2	2028635115	XIMZQWLPFWEEOW-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC(C)(CNc1ccc(F)cc1)C1CCCCC1	2034028540	SCCNBBBRIQAVSM-UHFFFAOYSA-N	249.373	4.844	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)[C@H](N)C[C@H](CC)CC2	2034172976	QOMNYOUFYGGYRV-OGHNNQOOSA-N	245.410	4.562	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CC[C@H]2CCCC[C@H]21	2034264614	RGBHDTOGLADWDI-XNRPHZJLSA-N	247.357	4.515	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCC[C@H]2C(C)C)c(C)c1	2035400960	SAMCUDHLIAFSQR-HOTGVXAUSA-N	245.410	4.848	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)C(C1CCC1)C1CCC1	2035559052	FKYZJHAWOVRMQO-CYBMUJFWSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)C1CCC([C@@H](N)C[C@@H]2C=CCC2)CC1	2035588770	FNEPLBPPFBGFDB-LMPOIIKSSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@H]1C=CCCC1	2035598709	KNKVOLJPMOHAGG-YOEHRIQHSA-N	243.394	4.556	0	10	BJAE	
C[C@H]1CCC[C@@H](n2ccnc2C2CCCCC2)C1	2036777034	VJAWXBAQBNGRPO-DZGCQCFKSA-N	246.398	4.682	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@@H](C)C1)c1ccccc1	2038138951	PLNKTXIWVHLGQS-HLLBOEOZSA-N	245.410	4.554	0	10	BJAE	
CN[C@H](CC1=CCCCCC1)CC1CCCCC1	2038168781	QXXAKQZBQQKQSB-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
N[C@]1(CCCCCC2CC2)CCCC2(CCC2)C1	2041287705	MQPNXYPYMUMGDA-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H](C)C1)C1(C)CC=CC1	2042025730	YBCFRECXNMOLCO-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)NCC1(CCC[C@@H]2CC2(C)C)CC=CC1	2042095287	ZFJIMLFWDPVXKF-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@H]1C=CCCC1	2043190206	HHXWOMCSVPQNBM-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CCC1)[C@@H]1C=CCCC1	2043190963	MIMINUQOTOLOQS-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C[C@@H](N)C[C@H]1CCC=CCCC1)C1CC1	2045324285	UCKHIAIDUPUNKV-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)[C@H]2CCCC(C)(C)C2)C1	2045556730	CSNXNJMQSMCAFJ-QEJZJMRPSA-N	248.410	4.764	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CC1(C)CCCCC1	2045682717	PUDJMGVFNNIAHF-HOCLYGCPSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)([C@@H]2[C@H]3CCCCC[C@H]32)CC1	2049213006	XCEUFQOYZFBFRD-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C1CCCC1)N(C)C[C@@H]1CCC=CCCC1	2049430600	JAPUOFUGIMHFAY-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CC(C)C[C@]1(C[C@H]2CCCC3(CC3)C2)CCCN1	2049851952	AXGQXTRNFANJIR-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)CC1CCC2(CC1)CC2	2049854018	LBTWHHFYIPACCR-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@]12C=C[C@@H](CC1)C2	2050007172	PFMUSUSVNRBJLW-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc([C@H](N)C2(C)CCCCCCC2)o1	2052468451	CYQOZVOIFFQHSK-HNNXBMFYSA-N	249.398	4.592	0	10	BJAE	
CCCNC[C@]1(CC=C(C)C)CCCCC12CC2	2053361378	XAZFSXXBWKMAOU-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1(CCC[C@H](N)[C@H]2CCCCC23CCC3)CC1	2053416962	XDDVPAHJPJEWBZ-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)NC[C@H]1CCCCC[C@H]1C1CC=CC1	2053706882	LVHTYXQQJCWRIO-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C)C(C)=Cc1ccccc1C(C)C	2053934364	LJZNXJAIGQQPST-OAHLLOKOSA-N	245.410	4.601	0	10	BJAE	
CC1=C(C)[C@@](O)(c2ccccc2C(C)C)CCC1	2055591751	KUPJQZMBMRSRGP-QGZVFWFLSA-N	244.378	4.518	0	10	BJAE	
C=C=CCCN[C@H](CCCCC)c1ccccc1	2059466712	KMYSEWAOJKLQBV-QGZVFWFLSA-N	243.394	4.629	0	10	BJAE	
C1CCCC(CCNC2CC(=C3CCC3)C2)CC1	2061250463	JYVFRAKSECOPNH-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCCC[C@@H]1N[C@@H](C)C[C@H]1C1CCC2(CC1)CC2	2062819839	QXUNAYHEOJCHBK-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(CC2CC3(C2)CC(C)(C)C3)C1	2063204934	VPVRNKZHWUCDOZ-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NCCC12CCC(CC1)CC2	2065259078	LBJXSFLEVONIEN-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCCCC2)CCC1(C)C	2068245373	PPDONDMUGAKISA-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@@H]3C[C@H]3C[C@H]2C)CCC1	2069268872	XCFFUVRSDWQMAK-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CC(C)=C[C@@H](C)C2)CCC1	2069339557	KSYJNCMQYDWHRH-KBMXLJTQSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)cc(C(=O)C2(C(C)(C)C)CCC2)c1	2071926529	QHJVYOYODBVUJF-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1ccc(F)cc1C	2072416915	KILBQPQDLCJCIQ-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC(C)CCCCC=C1CCN[C@H](C2CCC2)C1	2073795217	QDFDJAQXXKYOSA-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@]12CCCC[C@@H]1C2	2074090389	JIESJMUPKURKCN-PBHICJAKSA-N	239.362	4.530	0	10	BJAE	
CC(C)NC[C@@]1([C@@H]2C=CCCCC2)CC[C@@H](C)C1	2075362879	NIXBEHRRUDEZHI-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H]1[C@H](C[C@H]2C=CCCC2)CCC[C@H]1C	2082832927	SUVKFUOBAGSBOP-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCc1cccc(CC)c1NCCC1(F)CCC1	2084760895	XPYAXSOJAVHORM-UHFFFAOYSA-N	249.373	4.506	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1C[C@H]2CCC[C@H]1C2	2086213176	YQLCTNOZEZDAEN-NNXHMXCWSA-N	249.442	4.514	0	10	BJAE	
FC1(F)[C@H]2CCC[C@@H]1C[C@H](CC1CC=CC1)C2	2213304663	ZURZTZHWGOFGPD-BTTYYORXSA-N	240.337	4.804	0	10	BJAE	
CCNC[C@](CC)(CCCCC1CC1)C(C)C	2214570298	QWAFKQAMTIBEKF-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@](C)(O)CC1CCCCC1	2215249037	ILRCEAQYECHCIU-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(O)(CC[C@@H]2C[C@H]2CC)C1	2215253801	PDHGXVQAERMLDY-LVDPKSTMSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC[C@H]1C[C@H]1CC	2215356300	CHLRTNPRIBUJQM-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
Cc1sccc1C(=O)CC1(C)CC2(CCC2)C1	2215440790	TWIKTSPTKRRPJH-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CC[C@H](C)CN(C)[C@@H]1CCC[C@H](C(C)(C)C)C1	2216258620	QLODHHSPRHNVOS-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](C)N(C)CCCCCCCC1CC1	2216859542	IKWGRQUBJSCOPR-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CC[C@H](C)NCC1(C[C@@H](C)CC(C)(C)C)CC1	2217158914	IBTXOHFMMCVUOD-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218332085	GNLHXXZATSQADA-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218337174	FKGGCCOEWLEDSP-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C/C=C/c1ccccc1)C[C@@H](C)CC	2219089244	ZFIKLCBENJHSAS-FMUPAYBXSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)CC=Cc1ccccc1	2219090154	JIFBAKWXRPHLQE-NVXWUHKLSA-N	245.410	4.504	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2CC[C@H](C)CC2)CC2(CCC2)C1	2221038525	GGDSBAOAEOHFCD-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@]1(C)CC=C(C)CC1	2221596103	AGGWIURNZPACJU-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)[C@@H]2CCCC(C)(C)C2)CC1	2221628069	WNAAYLWFVFQKOZ-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CC1=CC[C@](C)(CNC[C@H]2CC[C@H](C)CC2)CC1	2221643142	ABENBLHBXSCTGT-XIRDDKMYSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)[C@@H]1CCC[C@@H](C)CC1	2222013737	KZSYDHFXMPLGRX-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
CCC[C@@H](CC)NC(C(C)(C)C)C(C)(C)C	2243359851	KBENHPWNWQTIPX-GFCCVEGCSA-N	227.436	4.616	0	10	BJAE	
FC(F)[C@@H]1CCC[C@@H]1CC[C@@H]1C=CCCC1	2244083920	KDWYIEJSLMOWSM-JHJVBQTASA-N	228.326	4.804	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H](CC)CCC	2244786224	SVQGQTPKZYOLMF-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)C[C@@H](C)O	2244846485	DCWRGFKQJWTKMO-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
C/C=C/CCCc1cc(Cl)c(C)cc1OC	2245967766	UATRLRCGOZBXHS-SNAWJCMRSA-N	238.758	4.556	0	10	BJAE	
CCCCCC1CC(O)(C[C@@H]2CCC2(C)C)C1	2247342469	YGNNLHDQWLHBDR-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc(NCC2=CCCCC2)c1	2247489724	IPPZLHIOUTXARX-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CCC[C@H](CC)CNCCCC1CCCCC1	2250387398	OVXUJMNPRJZKDL-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H]1CCCC[C@@H]1O	2250467364	PVMDECUYHXJKRH-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CC[C@H](CN)C1	2250479615	WQWHLEGPJWBJQJ-ZBFHGGJFSA-N	237.431	4.524	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@]23CCC[C@@H]2CC3)s1	2251163604	RGIGMIMREATVQD-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CC1CC(CCC(=O)CCC2CCCCC2)C1	2251773416	UJVUMNGZGSBBPW-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1CC(C)(C[C@@H](O)c2ccc(C(C)C)cc2)C1	2253654122	FQOJDEAYROPIPQ-BLDCVEFLSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H]1CCc2cccc(C)c2N1	2253875281	QHSIZQQZOUZCOJ-KBMXLJTQSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)CC1CC2(CCC2)C1	2254600317	XKGPMOFYUNUJEA-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CC1(c2cccc(NC[C@@H]3CCC3(C)C)c2)CC1	2254982572	XFIBYFRXWLZZBL-AWEZNQCLSA-N	243.394	4.586	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1CCC12CCC2	2255013345	MNWKOEOKSSHJJS-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCC1(C)CCC(N(C)CC2=CCCCC2)CC1	2255044764	GPGWLJOFVVKGJP-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC1([C@H](N)CC2=CCCCC2)CCC2(CC2)CC1	2255096200	JPBZXLYDJISJFU-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
CCc1cccc(OCCCCC[C@H]2C[C@H]2C)c1	2257250274	XLYMLSXUAOFUHM-ZBFHGGJFSA-N	246.394	4.844	0	10	BJAE	
C[C@H](C[C@H](N)[C@@]12CCC[C@H]1CC2)C1CCCCC1	2260502615	SNWADRBZWXXPMZ-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NC[C@]23CCCC[C@H]2CC3)c(F)c1	2260628575	SYUPAJLVNNVENA-XJKSGUPXSA-N	247.357	4.516	0	10	BJAE	
Cc1ccc(OC[C@]23CCCC[C@H]2CC3)c(C)c1	2260644576	BTJASRUUEFIIQQ-DOTOQJQBSA-N	244.378	4.653	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@]23CCC[C@@H]2CC3)C1	2260645740	JRHCYZLIXMEJNO-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(c1ccccc1)C1CCCC1	2263751610	XMIXJDTWRQWBHZ-RHSMWYFYSA-N	246.394	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2	2298596384	VPIAOURCMWKUMX-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CCC1(C)CCC(N)([C@@H](C)CC2CCC2)CC1	2298907029	DUZWERPKYDJDCJ-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H]1CCC(C)(C)CCC1=O	2298932342	HYTNWPPTHIODJS-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCC(C)=CCNCC[C@@H](C)CCCC(C)C	2300862694	HCQLSCPZIDQRNW-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CC[C@@H](C)[C@H](C)NCC=C(C)CCCC(C)C	2300866026	VMEZDNUAPAPNIP-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC(=CC[C@@]1(O)CC[C@H](C)C1)CCCC(C)C	2300913037	AEMCRMNFZBLBNF-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)[C@@H](N)C1CCCCCCC1	2301895688	AZBBQVITIKSOMW-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CCCC1=CCCCC1	2302355383	AYPMXSPXOLTPIK-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@]1(CNC)CCC(C)=C(C)C1	2303470205	VDDZCPCAJPACCB-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@](C)(O)[C@@H](C)C(C)C)CC1	2303530357	CDOKTLHOVNYNLD-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
CC(C)C(C)(C)c1nc([C@@]23CCC[C@@H]2C3)cs1	2307698593	YZHBTLHJLDATNX-IAQYHMDHSA-N	249.423	4.518	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)C1CC2(CCC2)C1	2307818016	WINPEFCAQHDWIL-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)C1(C)CC(C)C1	2307891916	BLQAKUYOZXFUDY-PYBGIAKNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC[C@H](CC1CCCC1)NC	2307901033	XBCRAPXLHLZBMZ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)C1CC(CC)C1	2307905469	XFMJLFBTBYVWFA-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCCC1)[C@@]12CC[C@@H]1C2	2308555049	GFVKLOZOMYFQBO-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309182291	NWDJTJHPSXSKSI-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@@H]2C[C@H]2C(C)C)cc1	2311544883	ACDVGUYNRMLYMU-ULQDDVLXSA-N	246.394	4.526	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(C[C@@]23CCCC[C@@H]2CC3)C1	2313353017	HDKVCGFSYLVVCX-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCC(N)(CC1CC1)CC1CC1	2315434978	RCLVXCAHTQXUJJ-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@H]1C[C@@H]2CCC[C@@H]2C1	2316503115	OHDVEQUJLVSLKV-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)[C@H]1CCC2(CCCC2)C1	2318936226	NBWXPGGZBBZCGN-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
N[C@H]1CCCC[C@H]1CC[C@@H]1C[C@H]1C1CCCCC1	2319001501	UJEUKAVBMSTZSM-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C[C@H]2CC[C@@H]2C2CC2)C1	2319488686	DLJHDWGLLCRZEY-UKRRQHHQSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](O)c2ccccc2C)CC1	2320328732	GCCITALIRRVWQG-RDJZCZTQSA-N	244.378	4.555	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](C)[C@H](C)CNC2CC2)CC1	2320333173	DWEQOMUIFZNMRY-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCC(C)(C)CC2=O)CC1	2320336197	FLRJEQYVIOPQRP-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)C2CC(C(C)C)C2)CC1	2320395893	GSBSBLXXHOXSNE-VXLLPVPCSA-N	249.442	4.523	0	10	BJAE	
CCC[C@@]1([C@H](CC2CC2)C2CC2)CCCCCN1	2320779860	RZXAFDGSVJRBPQ-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
N[C@H](C1CCCCCCC1)[C@H](CC1CC1)C1CC1	2320814347	SOHCCFSARVEIQW-IAGOWNOFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C2CC(=C3CC3)C2)C1	2321625419	BJODVGDHEHYHPT-GFCCVEGCSA-N	246.394	4.662	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CCC[C@H]2C)c1F	2327775857	FVZWYZIOBJLRSX-CHWSQXEVSA-N	249.373	4.797	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)c1ccc(C)c(C)c1	2328211631	AEPMHVDZCBNXGT-DOTOQJQBSA-N	248.410	4.727	0	10	BJAE	
Cc1ccc(-c2cc3cccc(Cl)c3[nH]2)s1	1517207	ARPAYYGCUJJVJS-UHFFFAOYSA-N	247.750	4.858	0	10	BJAE	
Cc1cccc2c1NC[C@H](CC1CCCCC1)C2	11633695	YQTQSIHVYYBJLW-OAHLLOKOSA-N	243.394	4.550	0	10	BJAE	
CC(C)=CCC/C(C)=C/c1cncn1CC(C)C	33955495	DZKNFTAYSBGZTK-OQLLNIDSSA-N	246.398	4.689	0	10	BJAE	
Cc1ccccc1NCC[C@H](C)c1ccccc1	34540813	CZLZGOMQKYYTOV-AWEZNQCLSA-N	239.362	4.601	0	10	BJAE	
CCC[C@H](N[C@@H](C)CC(C)C)c1ccccc1	37118016	OXEQIAUIGVBPEI-HOCLYGCPSA-N	233.399	4.552	0	10	BJAE	
CC[C@H](Nc1ccc(Cl)cc1Cl)C(C)C	37196827	DDEDXOZWOWXIQH-NSHDSACASA-N	246.181	4.840	0	10	BJAE	
CCCN[C@H](CCC[C@@H](C)CCC)C(C)C	70747073	VOMRYDVEGXSNMW-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@](C)(CCC(C)(C)C)CNC(C)C	71127776	NQKGLCUISPBXLI-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H]1CCCC[C@H](NCC)C1	80413672	RBXLGRWBZFJYCC-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@](CC)(CN)CCCC	82441767	PTNQCAUSHNZMBP-CQSZACIVSA-N	213.409	4.502	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCCC(C)(C)CC1	83520654	UJIJCFUCURWOLT-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(C)c(NC2C[C@@H](C)C[C@H](C)C2)c1	84462662	PVOBFJRGVJEZEK-STQMWFEESA-N	231.383	4.540	0	10	BJAE	
CC(=O)C(C)(C)Cc1ccc(C2CCCC2)cc1	84933564	AKEXMGGKVFUIDY-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCC1CCC([C@]2(N)CCCC[C@H]2CC)CC1	85078588	MKIPIIKSYXFQSQ-KNIAUWFNSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(C(C)(C)CCN)c(C(C)C)c1	94269647	AXYVIDJGPUCEMX-UHFFFAOYSA-N	247.426	4.560	0	10	BJAE	
CCCN[C@H](C(CC)CC)C1CCCCCC1	94676691	OBNHJKCXGZAZFG-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCOc1ccc(NC2CCCCCC2)c(C)c1	103980311	LDFQRJANZFVZNK-UHFFFAOYSA-N	247.382	4.528	0	10	BJAE	
CC/C=C\C[C@H](C)c1ccccc1Cl	107496374	WUWRILIFFPTSRM-WYGGZMRJSA-N	208.732	4.800	0	10	BJAE	
CCc1ccc([C@H](O)C[C@@H](C)CC(C)(C)C)cc1	109788080	IADMJCWDQHNBPA-CZUORRHYSA-N	248.410	4.745	0	10	BJAE	
CCC(CC)Cn1ccc2cc(Cl)ccc21	129678455	ZWQDBEGRKCWVEX-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2nc(C3CC3)cs2)C1	132007587	HDXVKBVICAKVGX-ZYHUDNBSSA-N	235.396	4.704	0	10	BJAE	
C[C@H]1CC[C@H](O)c2cc(C3CCCCC3)ccc21	136937920	NWEJNSQGHFVSSS-SJCJKPOMSA-N	244.378	4.665	0	10	BJAE	
CC1(C)C=C[C@@]23CCC[C@](C)(CC[C@H]12)C3	138177632	MKZIRHIVARSBHI-BPLDGKMQSA-N	204.357	4.559	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)C1(CC(C)C)CCCC1	162380991	CRSYDLVKPIMPEI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1cccc(CC(C)C)c1)C(C)C	165736621	VYETVTIKKCXQOB-KRWDZBQOSA-N	247.426	4.582	0	10	BJAE	
CCCCC1CCC([C@H](CC)NCCC)CC1	166810774	FBKVWVXGUMBLOT-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CC1(c2ccc(C(F)(F)F)cc2)CCCCC1	204379538	VADDRAONEXHZJG-UHFFFAOYSA-N	242.284	4.927	0	10	BJAE	
CCC[C@H](N[C@H]1CCC[C@@H](C)C1)c1ccccc1	216376168	INDTZGVJOJSOOG-PVAVHDDUSA-N	245.410	4.696	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@@H](C)[C@@H](C)C1	220614385	UUFDGCAXYCIDKR-IJEWVQPXSA-N	245.410	4.876	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cs1	227280545	RQCPSUQCHSHJTB-RWMBFGLXSA-N	235.396	4.519	0	10	BJAE	
CCN[C@H](CC(CC)CC)C1(CC)CCCC1	229159896	VOVQZSRTYQWSBG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCCCc1ccc2c(c1)CC[C@@H](C)N2	232945644	UQUGYVDBEWEPHI-CYBMUJFWSA-N	231.383	4.556	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1cc(Cl)cs1	300894291	QBDRWDFUIPWDJE-JTQLQIEISA-N	246.803	4.651	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CCC1CCCCC1	300956621	PUAACYJNLDJIJL-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)CCC(C)(C)C	304338972	FFKHROPPWNNEJV-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC1([C@@H](O)CCC2CCCCC2)CCCC1	305901641	BFDVICXOWLJQEJ-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
c1cc2c(cc1CCC1CCCCC1)CCCN2	305902033	BKHPBSGOIDTKKB-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@@H](C)CC2)c1F	305942085	FMBHEWGZQSIPQS-DGCLKSJQSA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)c1cc(C)ccc1C	308000021	OTOLQFKQZSOJQP-DOTOQJQBSA-N	248.410	4.799	0	10	BJAE	
C[C@@H]1[C@@H](NCC(C)(C)C2=CCCC2)CCC[C@H]1C	308754963	JSFSOIOKMAANRV-YCPHGPKFSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@](CC)(CO)C[C@@H]1CCC[C@H](C)C1	310473918	CDWXATFIIPWRSV-XHSDSOJGSA-N	240.431	4.782	0	10	BJAE	
CC1CCC(N[C@@H]2CCCC23CCCCC3)CC1	313014175	MRUGNXSNKXDXMS-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H](C2CCC2)C2CC2)CC1	324887738	FSPBBJCWKWEXDR-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@H](C)CC(C)C	379637402	RAKLDKKLIRMCCA-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC1CCC(C)CC1	383896917	MYPZPFBFRBQLJD-CKUJCDMFSA-N	240.431	4.780	0	10	BJAE	
CCCNCCC(C)(C)C[C@@H]1CCC[C@@H](C)C1	383956716	XAFSDIPIUVWZKH-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc(N[C@@H](C)CC(C)(C)C)c1C	384797371	SCDXDRXOBLWICK-LBPRGKRZSA-N	219.372	4.540	0	10	BJAE	
CCCC[C@H](CC)NCC(C)(C)CC(C)C	391154375	YHWSAOFUJDDRTR-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC(C)CC(C)(C)CN[C@@H]1CCC[C@@H](C)CC1	391165656	DIWVCJRZBKBQHK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C2(C)CC2)c(C(C)C)c1	393987331	JUCXOVXBDHJDQA-MRXNPFEDSA-N	246.394	4.767	0	10	BJAE	
c1cc(NCCC2CCC2)c2sccc2c1	398703260	UPASWNOKYPUTPU-UHFFFAOYSA-N	231.364	4.503	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NC	402357279	WPBLVYDCOPVLFP-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1CC[C@H]2C[C@@H]2C1	403350033	FLMFNKJLWCATHM-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
CC(C)(CC[C@](C)(O)C1CCCCC1)C1CC1	406049469	GEGZKVNWOPYMEQ-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@H](C(C)C)CC[C@H]1C	585669482	QCPPKCNNDKRBCG-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)[C@H]1Cc2ccccc2N(C(C)(C)C)C1	616671631	GNBICUKOXZNKTA-AWEZNQCLSA-N	245.410	4.510	0	10	BJAE	
CCc1ccc(NCC2(CC)CC2)cc1Cl	687549240	DYNKWKUCHKSNGT-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CC[C@@H](Nc1ccc(C2CC2)cc1)[C@@H]1CC1(C)C	690135340	MNESZKKYSXZOIE-JKSUJKDBSA-N	243.394	4.801	0	10	BJAE	
CCCCC[C@H](C)Nc1cccc(C2CC2)c1	690159716	NQPIDOXQPPBXMI-ZDUSSCGKSA-N	231.383	4.945	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H]1CC2CCC1CC2	691656256	JINUHYAUIVTPCO-GPANFISMSA-N	244.378	4.509	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CCC12CCCC2	694421123	VVOMASZQUCDGTM-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
CCC(C)(C)CCN[C@@H](C)CCCC(C)C	696739135	YARKVWAVFYYECW-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)CC)C1CCCC1	696798581	CGCJIQRZGXZBOH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(NC2C[C@H]3CC[C@H](C2)C3)c(Cl)c1	697698602	JYYSMSZAHVODQB-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@@H](CCCCC=C(C)C)C(C)(C)C	697766343	DXWDKJNPOZWEPV-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CC1(C)CC(CN[C@H]2C=CCCC2)CC(C)(C)C1	699549237	SEMODYGOCIPYIY-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCNc1cc(F)ccc1Cl	703989933	DRSFTNXUVYWSTQ-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)C[C@H](C)c2ccccc21	704518085	YBQDCXROLQMPKK-GUYCJALGSA-N	245.410	4.564	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(N)C2CCCCC2)C1	707540772	KOJAAJMHMOHXJO-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CNCCC1(C)CCCC1)CC(C)(C)C	709110206	YEAKWHVCWWULEB-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H](C)CC1CCC1	710272280	OFHMAYACVDNBAB-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@](CC)(CO)C[C@@H](C)C(C)(C)C	710745238	LURNAUKFXWOVGB-UKRRQHHQSA-N	228.420	4.638	0	10	BJAE	
CC[C@@H](C[C@@H](O)c1ccc(C)c(C)c1)C(C)(C)C	711213348	YIEUFQGVOCAGCY-JKSUJKDBSA-N	248.410	4.799	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)c1cc(C)co1	716148533	PAMCLIWVALVKBT-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@H]1CCCC12CCC2	717439837	RNLQBGMXAKVOJE-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)CCC1CCCC1	719196684	DWMFTLAXLCOIAW-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CC2)C1(CC)CCCC1	723181715	GWESKNMMBHWIDF-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(N(C)C[C@@H](C)CC(C)(C)C)c1	1190809888	MWUNPFZUQYDPFB-AWEZNQCLSA-N	233.399	4.504	0	10	BJAE	
Cc1sccc1-c1ccccc1C(F)(F)F	1250575521	IJJFRLKBHKRETC-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
Cc1ccc(CCSC2CCCCC2)cc1	1458832579	GUEMUWTYJSSNTD-UHFFFAOYSA-N	234.408	4.603	0	10	BJAE	
CCCSc1cc(C(C)(C)C)ccc1C	1643419896	AZCWIQAHTHZFPK-UHFFFAOYSA-N	222.397	4.795	0	10	BJAE	
CCCC[C@H](CC)CN1CCCC1(CC)CC	1648230319	FQGCXAQIIXGPON-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CC(C)c1cccc(SC(C)(C)C)c1	1775954628	WPYGPZQZJKWAAO-UHFFFAOYSA-N	208.370	4.701	0	10	BJAE	
CC1(CN[C@H]2CCCCC23CCCCC3)CCC1	1875421058	XSPHDBXXIREQJI-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCC(CC)c1scc(Br)c1C	1889493955	NPFJXVRJDZGUKJ-UHFFFAOYSA-N	247.201	4.723	0	10	BJAE	
CCCC[C@@H](CC)CCC1(N)CCCCC1	1902143267	KQHXZUOBNPPHEF-CQSZACIVSA-N	225.420	4.645	0	10	BJAE	
CCc1cscc1NCC1(C)CCCCC1	1902382461	WWTHSAVFCFIHQZ-UHFFFAOYSA-N	237.412	4.693	0	10	BJAE	
CCCCC[C@H](NCC)C1CC2(CCCC2)C1	1912607377	ROEKLEGWQOUFHN-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@H](O)C1CC2(CCCCC2)C1	1912716185	WVCAVDVYGBLSFN-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](N)[C@@H](C)C1CCCCC1	1924117700	AMCUNTVYVTZHCK-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCNC[C@@H]1CCCC[C@@H]1C[C@H]1C=CCCCC1	1925890354	DWZDLWPZSVJGDI-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)CC(CC)CC	1926173504	BSRBYCLGDZYZGO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC(CC[C@@H]2C=CCC2)C[C@H](C)C1	1932596363	RZWUDRZMJTVLDJ-MGPQQGTHSA-N	206.373	4.805	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)CCCC(C)(C)C	1939034180	RNPSWJFNMVQIIA-HIFRSBDPSA-N	228.420	4.636	0	10	BJAE	
CCCCCCC(=O)CC[C@H]1CCCC1(F)F	1940731230	JMWBIFBKUDTDNI-GFCCVEGCSA-N	246.341	4.742	0	10	BJAE	
CSc1ccc(NCC2CCC=CCC2)cc1	1941820921	GFYWBDWXEJAYDZ-UHFFFAOYSA-N	247.407	4.567	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCC1(C)CC(C)(C)C1	1942074006	SKWQXGBAGGIERT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@@]12CCCC[C@H]1CCC2	1944156591	QTVXRXFCNUSFIS-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CC1(CC2(O)CCCCCCC2)CCCCC1	1947542786	KAULRLWGTIRCKK-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CC1(CC)CCC1	1948981285	PDRBJTFBADSYSO-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(=O)c1ccc(-c2cc(C)c(C)cc2C)s1	1950543804	IBHRUYRQDQEWIX-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@@H]1CC12CCCCC2	1950662052	OIPSOGFWPOPCSM-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)CC(=O)CC12CCC(CC1)C2	1950961110	ZVFBWJCDHQOCHA-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCNCc1csc(C2=CCCCCC2)c1	1951248335	JCRHXRWJSGOHKI-UHFFFAOYSA-N	249.423	4.595	0	10	BJAE	
C1CCC([C@@H]2CCCN2CCCCC2CC2)CC1	1962787818	XMESKQNYWHTMDS-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CC(C)C[C@@H](C)CNc1ccccc1C1CC1	1969417193	VMPVCOWJHXIUAT-CYBMUJFWSA-N	231.383	4.658	0	10	BJAE	
Cc1cccc(NCC2C[C@@H](C)C[C@H](C)C2)c1F	1969472542	YDRPMYMBDYOKPS-RYUDHWBXSA-N	249.373	4.618	0	10	BJAE	
C[C@H](Nc1cccc(C2CCC2)c1)C1(C)CCC1	1971532661	HNUYHTVNQWKMPZ-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
CCC1(CC)CC(NC(CC2CC2)CC2CC2)C1	1972936137	FDMBWLFQRASNPB-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)CN[C@@H](c1ccccc1)C(C)C	1973316837	ZYFXHCMXAZLGPA-MRXNPFEDSA-N	247.426	4.800	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C(C)(C)CCC	1976002642	CUGQHEXDAXYGFZ-ZIAGYGMSSA-N	227.436	4.747	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CCC1CCCCC1	1976002804	FOLFHQNODDJPAL-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCC(C)C)CC1	1976342853	QNNYJRHTZDWZIF-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C(=O)c1cc(C(F)F)cs1)C(C)C	1977100476	AMDXIRPAZXUKKO-SECBINFHSA-N	246.322	4.551	0	10	BJAE	
CC(C)(C)CCC(=O)c1csc(C(F)F)c1	1978581037	UPUMPNMFNOCMQW-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CCCCC1CC(O)(CCC(C)(C)CC)C1	1984693512	CURIOSDARUHIGG-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@@H](C)Cn1ccc2ccc(Cl)cc21	1988295376	LYTFAJJNNUMJDS-NSHDSACASA-N	235.758	4.587	0	10	BJAE	
CC(C)=CCCC1CC(c2ccccc2)C1	1989244164	IYKSNMYHFJMDQB-UHFFFAOYSA-N	214.352	4.927	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H](C)C(C)C	1990125586	NKVQOCSZHYBREZ-CABCVRRESA-N	227.436	4.569	0	10	BJAE	
C=CC=CCCc1cccc(C(C)(C)C)c1	1994227869	GPNUGLXHSMNPSJ-UHFFFAOYSA-N	214.352	4.659	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)C1CCC(C)(C)CC1	1996553402	PHVYLYPELPEGDL-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@@H]1CC=CCC1	1997545222	ARBRFWUWAYMFPS-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC1(C(=O)C[C@@H]2C=CCCC2)CCCCCC1	2000213162	DEUPIXHHODDZKM-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2C=CCCC2)C1	2002993340	KDJKVAIXECTXIP-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CCC[C@@H](C)C1	2004235548	ZVGKRZCGHAMWHW-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CNc1ccc(CC)cc1	2004705606	IQRCBRZHWIMOEG-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CC1([C@@H](O)CC2CCCC2)CCCCCCC1	2004919750	CKWQDBUIBQGQHU-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC1CC(C(C)C)C1	2007757463	VGJHUOAFCKLGSJ-BCLQGDPASA-N	240.431	4.636	0	10	BJAE	
CC=CCCC[C@H](CC[C@@H]1CC1(C)C)NCC	2009616234	HCMZMBSRPVSVAM-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](C[C@H](C)C(C)(C)C)NCC	2009619053	ICRBIKRNUMHWLS-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1(C)CCCC1	2009620957	ZLZNJFOHRZVUEZ-DRDHIDPGSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1cccc(-c2cscc2[C@H](C)N)c1	2013603647	KZKPFKZYMMDJPF-NSHDSACASA-N	245.391	4.558	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)C1(CC(C)C)CC1	2015755024	MIWIHTCMKQCWKS-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1(C[C@H]2CCCCC[C@H]2O)CCC1	2017117207	SMTLJBXRIMUPTI-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(CC(=O)C2(C(C)(C)C)CCC2)C1	2017131604	SBZHAJLVYPEGMI-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](N)CC1(C(C)(C)C)CCC1	2017140363	GKEQLAGFXOXOGY-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC1(C(C)C)CCC1)[C@@H](C)CC	2017140996	LXMHBPPVTKIXML-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](O)(CC)C(C)C)CC1	2017650776	LHPHOISXAFEVTM-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@](C)(CN)CC1CCC(CC)CC1	2017730176	FAOBZJHKWGZNSO-GPANFISMSA-N	239.447	4.748	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)CC1=CCCCC1	2017735781	HLMGBGRKWSFQBH-UONOGXRCSA-N	237.431	4.680	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H]1C=CCCC1	2018184618	IOXAAPFBBSGHPI-CVEARBPZSA-N	237.431	4.633	0	10	BJAE	
CCCN(CCC)C1CCC(C(C)(C)C)CC1	2019402510	APVLSZQGEXGRNR-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCCC(C)(F)F	2023280135	VKMKEVQNOUWIQB-CYBMUJFWSA-N	249.389	4.746	0	10	BJAE	
CCc1cc(F)ccc1NC1CCCCCC1	2023446994	IWJKHFXNGUAYKB-UHFFFAOYSA-N	235.346	4.523	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@H]1CCCC(C)(C)C1	2024097360	XKNZBKHEBUPXCN-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C)C[C@H](C)CCC=Cc1ccccc1	2026895538	OLNHQEDTODVDDH-HZPDHXFCSA-N	245.410	4.504	0	10	BJAE	
CN[C@H](CCCCCC1CC1)c1ccc(C)cc1	2028635571	AOXDEBFRSCOANL-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
O[C@]1(C[C@@H]2CC=CCC2)CCCC12CCCCC2	2028875136	CYSRGZLRSUJCLC-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CC1(C(=O)C[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)CCCC1	2029173018	ASVYYXWQNDIGRA-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@]1(C)CNC1(C2CCCCC2)CCC1	2033049539	ZIRUIXCOFFDUCC-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1(CCNCCC2=CCCCC2)CCCCC1	2033213400	XTOPMCVNRNZQKK-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CCC1(CNC2CC(C3CCCCC3)C2)CCC1	2033830481	PEMDDOHUQVLRPC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1CNC(C)(C)CC(C)C	2034905717	WIIZJDGRJQTTRY-UHFFFAOYSA-N	247.426	4.553	0	10	BJAE	
CCCNC[C@]1(C[C@H]2C=CCCC2)CCC[C@H]1C	2035601006	NVIKRTFMKURIHE-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@@H]1C=CCCCC1	2037272943	IZZUOACTNWPARU-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC[C@H]1CC12CC2)CC1CCCCC1	2038167136	RFFJRMDJVCPVIY-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC1CCC1)CC12CCC(CC1)C2	2039417374	GPJHXKGACPWEJN-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@@H]1CC=CCC1	2042019055	LHEUJESATZCLSE-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1(CNC[C@@]2(C)CC=CCC2)CCCCCC1	2042072740	SFFKJMNAWHODJQ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@H]1C(C[C@@]2(N)CCCC3(CCCCC3)C2)[C@@H]1C	2043454151	JGYLSVFHHQGFFC-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@H]1CC12CCCC2	2047007029	FQYSGKCBOLHASB-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C[C@H]1CC12CCCCC2	2047011594	LFQWNXZVWAIEGG-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@H]1CCCCC12CC2	2053420920	OAXHAHOEAVJRFP-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@@H]2CCC=CCCC2)C1	2055114538	PWTKPDIQFXYGJS-XHSDSOJGSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2CC3(CCC(N)CC3)C2)C1	2056617691	VSLKLYBELCRLDM-LIHZJYIUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)C1(CC)CCCC1	2056876181	NZFZWXPWCSYHDF-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
F[C@@H](Cn1ccc2ccccc21)C1CCCCC1	2058027240	NYZDWIWHSRVOOC-HNNXBMFYSA-N	245.341	4.560	0	10	BJAE	
CC=CCCCC[C@H](CNCC)c1ccccc1	2059250906	VBWPCYJJBJJQJW-QGZVFWFLSA-N	245.410	4.516	0	10	BJAE	
CC=CCCC[C@@]1(CNC2CC2)CC[C@H](CC)C1	2059252374	HNFPNSMQQFOKIY-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CC2CCC1CC2	2059259443	PBFUNYJBYXYRIW-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(NC[C@@H]2CCCCC23CCC3)C1	2059393423	FYDDBKSOISJTIP-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@H](NCC)C2=CCC(C)(C)CC2)CC1	2061095186	LIYGSXZVRXTOSA-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@@H]2CCCC[C@H]2CC)CC1	2061116215	NVVINRJAODQEHI-MUIFIZLQSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@H](NC)[C@H]2CC[C@H](C)CC2)CC1	2061140174	LFUDRGOUKPEPLP-QBYUYEEZSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CC1CC(=C2CCC2)C1	2061701731	NENUQICUGFLIDU-GUYCJALGSA-N	249.442	4.667	0	10	BJAE	
CN(CCCC1(C)CC1)[C@H]1CCCCCC12CC2	2062195603	GTQLQMOLMRGCNY-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNc1ccccc1C1(C)CC1	2062640188	BBALIOVMOZEGMY-KGLIPLIRSA-N	243.394	4.586	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2C[C@@H]3CCC[C@@H]3C2)c1	2063535386	IQMXMBBSEYVWEV-PHZGNYQRSA-N	244.378	4.509	0	10	BJAE	
CCC1(C[C@@H](NC)C23CCCC2CCC3)CCC1	2063823105	ZVWRJFCASKJILN-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
c1ccc2c(c1)ccn2CC12CCC(CC1)CC2	2065279720	MRYHLHATJDYKME-UHFFFAOYSA-N	239.362	4.612	0	10	BJAE	
C=CC=CCCC(N)(C1CCCC1)C1CCCC1	2065935687	MDFGVKADOLJLGC-UHFFFAOYSA-N	247.426	4.587	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@H]1CCC1(C)C	2068246499	WOKDFVPIVCUSDG-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
NC1(C[C@@H]2CC23CCC3)CCCCCCCCC1	2069191242	XAFGVYZVJFGCLQ-HNNXBMFYSA-N	249.442	4.789	0	10	BJAE	
CC[C@H](CNc1ccccc1OC(C)C)C(C)C	2070274477	XIKQCIZXKOXESN-CQSZACIVSA-N	249.398	4.568	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@@H]1C1CCC1)C1CCCCC1	2071791085	RHSZUNSMRDWBAQ-IKGGRYGDSA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1[C@H](O)CCC1(C(C)C)CCC1	2071902998	BQPKQZDKMVTIRE-MRXNPFEDSA-N	246.394	4.635	0	10	BJAE	
Cc1ccc([C@@H](O)CCC2(C(C)C)CCC2)cc1	2071905582	XQQNYNSXJARDDY-INIZCTEOSA-N	246.394	4.635	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1CC2(C1)CC21CC1	2072229966	VVBJKWHWWLTQFL-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@H](NC)c2ccco2)CC1	2072802206	VUEHETRENILFFD-KKUMJFAQSA-N	249.398	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H]2C[C@H](N)CC3(CCC3)C2)CC1	2072821654	NOEASVUZWTULBF-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@@]23CCCC[C@@H]2C3)CC1	2074024938	LDINLEBSIBVWSP-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](N2CCC23CCCCCC3)C[C@H]1C	2074801862	JKKWFAUZVKMRPW-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CCC3(CC2)CC3)C1=O	2076451641	WPXMVHXUSNGAGF-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1C[C@@H]1C1CCC1	2079331787	GOYDMUPKTNMQQC-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(C(=O)C[C@H]2C[C@@H]2C(C)(C)C)cc1	2079840950	FYEWBTAMLAVPNN-CABCVRRESA-N	244.378	4.504	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2083019160	ZWKAMWBPTPNKDK-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N[C@H]2CCCC3(CCC3)C2)C1	2085245277	SGMIRCMAQYYUOS-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)Cc1coc2cc3c(cc12)CCCC3	2086605077	DODIUWICUIVMQK-GFCCVEGCSA-N	242.362	4.900	0	10	BJAE	
C[C@H]1CCC[C@@H](C)N1CCCCCCC1CC1	2213579752	HIJOOJOIUBSLGB-GASCZTMLSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@](C)(CCCCC1CC1)CNCC	2214569272	NAOFVDFQGFMVKZ-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CC1(C)CC(C)(C)C1	2215396680	VSWTVGILAHXYES-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)N(C)CC1(C)CC(C)(C)C1	2215442833	VKWGAUAYPAIVSM-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CCCCC(F)F)C1	2216502862	PHHQHLPTNQLROD-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216744212	IRSJEEVBVFKPFN-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC(=O)[C@H](CCCCCCCC2CC2)C1	2216896519	IUQLMYSJWBTVNB-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(CNC1CCC1)C(C)C	2217140957	KXWHUBHFQLHWKY-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CNC1CCC1)[C@H](C)CC(C)C	2217142629	XBKRAQLPHYQBQX-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1(CC(C)C)CCC(C)CC1	2217152295	COERDRPGRGVLTI-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	2218019252	UMMNRVUUOQCRFH-KLZNWCGWSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218332523	OIRMNDKEAPFOKE-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1CCCCC12CC2	2218724669	HJUXXEWIVLXLSG-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H]1C)[C@]1(C)CC=CCC1	2220549429	IYPTZKGNISXNHZ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)CC1(C)CC2(CCC2)C1	2221070776	GHNVPMOXVRUYGT-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CN(CC1(C)CCCCC1)C[C@@]1(C)CC=CCC1	2221604387	ZILGJKKQRIUCOY-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CN[C@H](CC[C@H]1CC1(C)C)[C@@]1(C)CC=C(C)CC1	2221629557	ZTBYCGGGAOUAGN-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2221643125	MBOPMTCPLLXIFZ-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CNCCC(=CCCCCCCC2CC2)C1	2223109048	HEKGQBZQDLXWEC-HNNXBMFYSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)c1ccc2occc2c1	2224135939	SQXCEMBSDDHVFZ-GDBMZVCRSA-N	245.366	4.505	0	10	BJAE	
CCCCCC[C@](C)(N)c1cccc2ccoc12	2224158784	SCPZOEPIEAGCCC-INIZCTEOSA-N	245.366	4.577	0	10	BJAE	
CCC1CCC(O)(CCCC[C@H]2C[C@H]2C)CC1	2247116696	AYQYJKMDXPTYLV-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCC)[C@H]1CC1(C)C	2248662108	FJWWJCWPCUOZJU-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC1CC(Nc2cccc(C(C)(C)C)c2)C1	2249255620	YWYQUAJJQVFYDX-UHFFFAOYSA-N	231.383	4.585	0	10	BJAE	
Cc1cc(N[C@H]2CCC(C)(C)C2)cc(C)c1C	2249490674	JMIUIICYFOXOPP-AWEZNQCLSA-N	231.383	4.602	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@H]1CCC[C@H](C)C1	2250351651	FJBXQWWTZMGVOA-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cccc2sccc12	2250353133	RQEDQHLOVPUCDJ-ABAIWWIYSA-N	247.407	4.727	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H]1CCCC[C@H]1O	2250467365	PVMDECUYHXJKRH-OWCLPIDISA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CC[C@H](C)CCCC(C)C)CC1CC1	2250487747	FGCPPJISYAZCAL-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC[C@@H](C)CCCC(C)C)C1(C)CC1	2250488648	PDKXJOCKKXBPEF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@H]1CCC1(C)C	2250490355	IIDAGWFOEKEUJN-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H]1CCC(C)(C)[C@@H]1NCCC	2251714731	YVJLVSFTTYVWGO-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](c1ccc2ccsc2c1)C(C)C	2253067439	ISYSQFAHWDAZIX-OAHLLOKOSA-N	247.407	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCn1ccc2cc(F)ccc21	2254520640	IRGZXBSPDMJKLJ-CHWSQXEVSA-N	245.341	4.607	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)CC12CCC(CC1)C2	2254586356	CPDZIXUYMGPXLW-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
CCCCN(C[C@@H]1CCC12CCC2)C1CCCC1	2254991100	XKUYARSWCWHELC-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)C[C@H]1CCC12CCC2	2255029113	QONHGXGMXKRNHK-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCCC12CC2)C1CCCCC1	2255290699	IVKDDPRLDYLDDF-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(N[C@@H](C)[C@H]2CC23CCC3)ccc1C	2256450818	FOZVJNJQEQQEJM-XJKSGUPXSA-N	243.394	4.548	0	10	BJAE	
CC1(C)CCC[C@H](C[C@](C)(N)[C@H]2CC23CCC3)C1	2256458168	MRZIDQGEVIXJDH-LZWOXQAQSA-N	249.442	4.501	0	10	BJAE	
CCNCC1(CCCCC[C@@H]2C[C@H]2C)CC=CC1	2257278870	AKKIXLAJKMXOJL-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CCc1cccc(OC[C@]23CCCC[C@@H]2CC3)c1	2260650518	DYIGOFKJIIJGAA-NVXWUHKLSA-N	244.378	4.598	0	10	BJAE	
CCC[C@](N)(C[C@@]12CCC[C@@H]1CC2)C1CCCC1	2260651864	NTRUQCLGHYSPAC-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@H]1CC[C@H]1C	2300679845	XONTWEJULAMSRW-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)CC1(C)CC1	2300685388	DZAFSVFZMVWXKS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CC2CCC1CC2	2300707131	YCACYSZQDURCJW-YMAMQOFZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](N)CC[C@@H]1C[C@H]2CCC[C@H]1CC2	2301237259	UWPRDAKBAAZDLW-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCCCC(=O)CC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2301331582	XCOGSCNTGRODAE-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](O)CCC1CCCCC1	2301832957	OKFORLFRCPWMLK-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H]([C@@H](C)C(C)(C)C)[C@H](C)[C@H](C)C(C)C	2301836768	OVBVYIIBFAZTSQ-KBUPBQIOSA-N	241.463	4.575	0	10	BJAE	
CC[C@](O)(CCCC1=CCCCC1)C1CCC1	2302332890	ZAZHCVNVVWCCFE-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](O)CCCCC2CC2)C1	2302580652	UJYMTXIJJMCCED-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2CCC(C)(C)C2)C1	2302878901	UVUYRLXHLNURHQ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1c1cc(Cl)c2ccccc2n1	2304042921	BRDDHSXCLCURBK-RYUDHWBXSA-N	245.753	4.648	0	10	BJAE	
CN[C@H](CCCC[C@@H]1CCC(C)(C)C1)C(C)C	2304418667	RQOMWWCDBIPEPJ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc(C2CCC(C)(C)CC2)n1	2307686700	FTKXQVFSGFMBIS-ZYHUDNBSSA-N	249.423	4.950	0	10	BJAE	
CCC[C@H](CC)CN1CCCCCCCCC1	2307747604	QUYVSUUIUQEOPA-INIZCTEOSA-N	239.447	4.859	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1C(C)=CCC[C@@H]1C	2307879387	RGAAHMJBIIQVOY-YHUYYLMFSA-N	237.431	4.523	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C[C@@H]1CC[C@@H]2C[C@H]12	2308151309	WWDSJBMKQKAUPN-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC[C@@H]1C[C@H]1C)[C@]1(C)CC=C(C)CC1	2312521579	YPEUJJQYAFTLQC-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@]23CCC[C@@H]2CC3)CC1	2313348528	IFRIZDOURRXJJJ-NCOADZHNSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313353039	HKNFZVGUPGQGKO-WCXIOVBPSA-N	249.442	4.645	0	10	BJAE	
CCc1cc(C(=O)CC[C@@H]2CC2(C)C)ccc1C	2314712416	PLNBDKRJFHIULZ-OAHLLOKOSA-N	244.378	4.566	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)CC1CCCCCC1	2317003049	SVCOXCAQJTUKAL-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(F)cc1NC1C[C@H]2CC[C@@H]2C1	2317929650	ZXLCVHOSWYFNKT-VXGBXAGGSA-N	247.357	4.550	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@H](N)CCC1=CCCCC1	2317972779	AWTCNURSUUEQTI-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cc(C)c(O)c(C)c1	2318436221	XWWYWDDUUWDGRX-CQSZACIVSA-N	249.398	4.636	0	10	BJAE	
C1=CCCC(CNCCCC2=CCCCC2)CC1	2318577596	XTKXXXNMSRHJPJ-UHFFFAOYSA-N	247.426	4.603	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C[C@H]1C=CCCC1	2318879652	DKCMMSBXTPONKD-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CCC(=C[C@@H]2CCCC[C@@H]2N)CC1	2319196599	FNWNGQHLYQVDGJ-AQOJYXMDSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2C[C@@H]2C2CCCC2)C1	2319285994	FFRIFEQFGFKBTD-BPLDGKMQSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(N)CCC12CCCC2	2320247839	RBLLPKWVDLQKGV-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCC[C@H](C)CC2)CC1	2320329024	SCSQUGOXTXYDNX-XKQJLSEDSA-N	249.442	4.811	0	10	BJAE	
Fc1cccc2c1ccn2[C@@H](CC1CC1)C1CC1	2320695322	HCVAGELZMOKXJO-INIZCTEOSA-N	243.325	4.532	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cc(F)cc(CC)c1	2321092599	BUPWZGFLTHGJKU-BBRMVZONSA-N	249.373	4.769	0	10	BJAE	
CC(C)CC12CC([C@@H](N)CCC3CCCC3)(C1)C2	2321591015	ZWANMIJMQBUBBL-GTPINHCMSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)Nc1ccc(CC)cc1	21012989	MYLPMRVRKSCDDI-UHFFFAOYSA-N	219.372	4.630	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)c1ccc(C)c(C)c1	36792205	YJLLRPDLIGEBCV-HOTGVXAUSA-N	247.426	4.923	0	10	BJAE	
CCCCC[C@@H](N[C@H](C)C1CC1)c1ccccc1	37259468	NSQLQELGHBYZBI-RHSMWYFYSA-N	245.410	4.696	0	10	BJAE	
CC(C)(C)C1CCC(N)(C2CCCCC2)CC1	37376707	KWHJEVAKGRQZFZ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCCCCOc1cccc(NCCCC)c1	66168147	SBODSPQRZCWNNB-UHFFFAOYSA-N	249.398	4.858	0	10	BJAE	
CCc1ccccc1N[C@H]1CCC[C@@H](CC)C1	71105891	IZPPQSVYRVAMIV-HIFRSBDPSA-N	231.383	4.630	0	10	BJAE	
CCC(CC)[C@H](O)c1ccc(C)c2ccccc12	79905724	MVPRRLPKUBHDDO-KRWDZBQOSA-N	242.362	4.618	0	10	BJAE	
C[C@H]1CC[C@@H](C)[C@H](NC(C)(C)CC(C)(C)C)C1	85098039	JJQUTBLQEWQVJP-BFHYXJOUSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CCC[C@@H]1Nc1ccccc1C(C)(C)C	86672740	ZGWZQOJAXAJHJR-JSGCOSHPSA-N	231.383	4.585	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C1CCCCCC1	87947025	ICJWTRZRBJZADM-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)C2CCCCCC2)C1	87947122	NMTPTTRZNIMCML-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCCCC[C@@H]2C)cc1	88505791	DQWMIJCHMIBFBK-ZOBUZTSGSA-N	245.410	4.614	0	10	BJAE	
CCC(CC)[C@H](O)c1ccc(C(C)(C)CC)cc1	90484572	SLUCSQBCBLYVAQ-INIZCTEOSA-N	248.410	4.844	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C2(C)CCCC2)cc1	94899005	BKSQQSBKVBLCIQ-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C2(C)CCCC2)cc1	94906691	DTNPMEMDRRIKOA-BBRMVZONSA-N	246.394	4.814	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CNC(C)C)C(C)C	110185554	HTZMGDUCYQXHHE-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)C1=CCCCC1	110228795	QPGFTVCSVQWYDJ-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
Clc1nc(-c2ccccc2)cc2ccccc12	114589724	FERPDCPDPHIFFD-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
Cc1cc(C)c([C@H](C)NCCC(C)(C)C)cc1C	123930016	IMDYECKLTMLKEW-HNNXBMFYSA-N	247.426	4.699	0	10	BJAE	
C[C@H]1CCCC[C@@H]1NC1CCC2(CCCC2)CC1	129209605	CNERFONULSVMKB-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@H]1CCCCC[C@H]1CNCC	130766448	VIARZNPTRSSFPC-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
C1CCC([C@@H]2CCCCC[C@@H]2CNC2CC2)CC1	155836097	UTOJRBPHODVNNM-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(O)(CCCC(C)C)CC1	165572401	LAIVMUNPJLXGNQ-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](CC1CCC1)c1ccc(C)c(C)c1	167138667	AFUGUHIYRWVZTQ-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCCC[C@H](OC)C1CCCCCC1	206976200	NSZSBZRAJMVHJI-AWEZNQCLSA-N	212.377	4.552	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1CC(C)C	217734512	GDVOUUOJMOQUFK-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](NCCCC1CCCC1)C1CCCCC1	225019730	RIDWVZKUEKHHQN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)c1ccoc1	233157983	MOUJQPHSGRTQFM-MRXNPFEDSA-N	247.382	4.601	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)c1ccc(Cl)cc1	236305940	SHRIXRGRNLJXCR-HNNXBMFYSA-N	249.785	4.620	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1	251289139	VADCFTVTIYEFOT-BHYGNILZSA-N	245.410	4.868	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CC)C[C@H](C)CC	252406350	GEZFVCGIYMJGQE-QLFBSQMISA-N	227.436	4.760	0	10	BJAE	
Cc1ccc2ccc(N)c(C3CCCCC3)c2c1	258339580	VGWKPLBWRQQCAN-UHFFFAOYSA-N	239.362	4.778	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@@H]1CCCC(F)(F)C1	304171582	HOITZLZXFFOQIH-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)C1CCC(C)(C)CC1	305938585	LBKBXOKHCNAACZ-DZGCQCFKSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC(C)C)c1nc2c([nH]1)CCC[C@H]2C	308060008	XDORSEWSANVWEZ-CHWSQXEVSA-N	248.414	4.779	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@@H](CCC)CC(C)C	308060097	RMLREBCDYYEVAS-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CCc1ccccc1O[C@@H]1C=CCCCCC1	310057987	BMTHSWCHQZREQT-OAHLLOKOSA-N	230.351	4.517	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C)c2ccccc2N1	310317173	VMPUOZXEWNCEDO-UONOGXRCSA-N	231.383	4.945	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CC2(C)CCCC2)C1	310446914	XFEBVFLEAVQPAA-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)[C@@H](CC1CCC(C)CC1)NCC	310523996	OGZPPUSSQHJKPO-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@]1(CNC(C)C)CC[C@H](CC)C1	317839301	FNLWGCMSFPQOAF-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](CNC(C)(C)C)C(C)(C)C	319446725	SALUXJRFKLMRFE-BFHYXJOUSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@H](C)[C@H](C)CC	319665769	GGXYOYLPIHFFEG-MGPQQGTHSA-N	226.404	4.700	0	10	BJAE	
CCC1(Nc2ccc(C(C)(C)C)cn2)CCCC1	382580914	XTFMYOFYMFCNDB-UHFFFAOYSA-N	246.398	4.514	0	10	BJAE	
CC(C)CCCCC[C@@H]1C[C@H](C)CC[C@@H]1CN	383214260	QKAGOBUPPDXQKI-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)CC1CCCCC1	384832838	FUUPZBFKLYBUSJ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@@H](C[C@@H](C)c1ccccc1)NCCC	384858658	GUOMKMRJKDLRIE-WBVHZDCISA-N	247.426	4.739	0	10	BJAE	
CC(=O)c1ccccc1-c1ccccc1C(C)C	385657330	BPXVOWVLEPLSJS-UHFFFAOYSA-N	238.330	4.680	0	10	BJAE	
C[C@H](Nc1cccc2ccsc12)C1(C)CC1	386234144	NEEAEUVTKZHLQV-JTQLQIEISA-N	231.364	4.502	0	10	BJAE	
CCCC[C@H](CC)CNC1(CC)CCCCC1	389746478	LUKHHQHHKWBBOA-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(N)CCC[C@H](C(C)C)CC1	393876502	GHMRDTWMXWWTEU-JYJNAYRXSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](NCCCCC(C)C)c1ccsc1	394345881	JVSKGIDWZLFASG-AWEZNQCLSA-N	239.428	4.615	0	10	BJAE	
CCC(C)(C)/C=C(/CNC1CC1)C1CCCCC1	394658928	BTNNEGQXZCBNQE-QINSGFPZSA-N	249.442	4.681	0	10	BJAE	
Cc1cnc(NCCCCCCC(C)C)c(C)c1	394741003	MRNUTEWEVZOPOS-UHFFFAOYSA-N	248.414	4.717	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@@H](C)CC(C)C	394752186	VELKCTMPAKCRHG-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](C)Nc1cccc2ccsc12	395310939	HAOSECFBYFINCO-JTQLQIEISA-N	219.353	4.502	0	10	BJAE	
Cc1ccc2sc(C(F)(F)F)c(S)c2c1	396296032	GLYYTOICHGGPCN-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](O)CCC2CCC2)cc1	398598653	STOPHCXKFRONJM-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
O=C(CC1=CCCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	401051049	WMUDLMIRRONEFV-BZUAXINKSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1cc(C)cc(C)c1	401596511	WCRDOZRGUHHLJV-HZPDHXFCSA-N	245.410	4.932	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1CC=CCC1	402202501	BXPCOKFEONNADE-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@@H](C)CCOC(=S)CCC	585663904	FAMIEDQBXLQGBQ-GFCCVEGCSA-N	230.417	4.737	0	10	BJAE	
CC(C)(C)[C@H]1CCCC/C1=C\Br	606287916	BYAUMAVROLIDCH-DDXVTDLHSA-N	231.177	4.502	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1CCC[C@@H](C(C)C)C1	686307782	VASQWHQAAZIRDI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCc1cccc([C@@H](O)C2(CCC)CCC2)c1	686927600	MZWGZWYMFUZVOK-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
C[C@H](Nc1ccc(Cl)c(Cl)c1)C(C)(C)C	687791535	PLQWYYKQPXYIBU-QMMMGPOBSA-N	246.181	4.840	0	10	BJAE	
c1cc(C2CC2)ccc1NCCCC1CCC1	688405560	NNFYLSFFSXOWTI-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCSc1cccc(N[C@@H]2CC[C@@H](CC)C2)c1	689705946	RAGABFXIEZWVBY-TZMCWYRMSA-N	249.423	4.789	0	10	BJAE	
c1cc(N[C@H]2CCCC23CCC3)cc(C2CC2)c1	690096582	VJMLCSYECOJSBE-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
CCCC1CCC(N)([C@@H]2C=CCCCCC2)CC1	690416172	YNZAKTQRWCJOCO-AQFXKWCLSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC[C@@H]1C(C)C)C(C)C	691166966	NUYBOWWSBSFVRF-PMPSAXMXSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](C)C1CCCC1	691168639	BOOBDBLLSMCNCT-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1CC2CCC1CC2	691675888	PHTKLWFYQRYNMW-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@@H](C)C1CCC1	692761864	VHMVLTGFHWCJCP-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1N[C@@H]1CCC12CCCCC2	693808546	WKBVDGZSUFOBBM-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)c1sccc1C	695096723	CTSKLPBWGHWWLR-NEPJUHHUSA-N	239.428	4.532	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CCC(C)(C)CC)C1	696801308	FLQSEZCQYHQIGE-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@H]1CCCC1(C)C	697754922	GBOZLBIHNHVNLL-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](c1sccc1C)C(C)(CC)CC	701185610	SVVMIGPQIBDFDP-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCc1ccccc1[C@H](O)[C@H](C)CC(C)(C)C	704750210	FVMFFDMFHONWNI-CZUORRHYSA-N	248.410	4.745	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H](CCC=C(C)C)C1	704938570	CUEAAVNDNUBBAM-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC12CC2)c1cccs1	706543704	JDELFJYVFOPCBT-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCC12CC2)c1cccs1	706543708	JDELFJYVFOPCBT-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@@H](C)CC(C)(C)C	708299251	VAJIWXHZMJPMAJ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1csc([C@H](N)C[C@@H](C)CC(C)(C)C)c1	709092806	ZXXIEFNNTJKRJE-ZYHUDNBSSA-N	239.428	4.519	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H](C)C(C)(C)C)CC1	710753134	LOQRIOLAOWUIRO-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CC(=O)CC1=CCCC1)C(C)(C)C	711112704	FTYONUATTRCHPG-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC1CCCCCC1	713182511	KIJUEHLXNITHQI-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H]1CC(C)(C)CC[C@@H]1CC(C)(C)C	713246079	DBBFOAIUTCNAKT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1ccc(Cl)s1	718739308	CQWIFJGQVASHCB-SNVBAGLBSA-N	244.787	4.571	0	10	BJAE	
CCC[C@]1(CNC(C)(C)C)CCC=CCCC1	719054208	AKEAOVQNNJXFDH-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCC1CCCCC1	719294931	VGGQVZKOSYQFKI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CC1(CNC2CC2)CCCCCCC1	722883811	NIMJJHRFUSLFKW-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1(CNC2CCC3(CCC3)CC2)CCCC1	1650771447	HCBIQMNBWUCEQI-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC(CC)CN1CCCC[C@@H]1CCC(C)C	1652814537	FGZUUIIUKFYDEE-MRXNPFEDSA-N	239.447	4.713	0	10	BJAE	
CC[C@H]1CCC[C@@H]1CNC1CCCCCCC1	1659239252	CDRUQCIFEQLADW-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccc(CN[C@H](C)C(C)(C)CC)cc1	1659398455	NYYLVFYJHJVMDJ-CQSZACIVSA-N	247.426	4.553	0	10	BJAE	
CC(C)NCC(=CC(C)(C)C)C1CCCCC1	1880604171	QGQVKFZGTJXQFA-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC(=CCl)COc1ccccc1C(C)(C)C	1889824728	SYMVJOMNHFVWOY-UHFFFAOYSA-N	238.758	4.506	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CCC(CC)CC	1900698134	SQNWIFVKIODQSK-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCC[C@@H]1CC	1905364586	COZKTAURJCXPOA-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@@]1(C)CCCCC1(C)C	1905842428	NWZPTPFASRLXQN-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@H](CCC[C@@H]1C[C@H]1C)NC	1908556840	XJAMVKPKWOGEBT-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)CC1CCCCCC1	1908557161	ZRGDUFFQJOCDHK-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCC(C)(C)[C@H]1O	1910195389	SMYGJGAIXUTOJL-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@@H](C)CCCC	1911984985	LDXPSMADEFNURM-JKSUJKDBSA-N	237.431	4.703	0	10	BJAE	
CCC=CC[C@@H](CC)c1cc(C)ccc1O	1912029117	JSSFXYQISMEZGE-CYBMUJFWSA-N	218.340	4.551	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C1CC2(CCCCC2)C1	1912725561	CTJYNFJRHHZOPW-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@@H]1CCCCCCCCC1=O	1913389684	MIXBBSVQKPALJZ-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H]1CCC2(CCCCC2)C1	1915872834	UKUKZGPIUXQHGE-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2CCC3(CCCCC3)C2)C1	1915872868	UQQZBHIEVWUTOS-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CCC2(CCCC2)C1	1916415532	PQKNRMYYVGELFV-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)c1ccc(C)cc1C	1919876740	NRHAMKVQWMWTLJ-KRWDZBQOSA-N	246.394	4.647	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)c1ccc(C(C)C)cc1	1920209026	WPYPEDPGBLXEOX-WMLDXEAASA-N	247.426	4.810	0	10	BJAE	
CC(C)[C@](N)(CCCC(C)(C)C)c1ccccc1	1920435059	HTRIZFSJGBJFPR-QGZVFWFLSA-N	247.426	4.713	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)CC1(C)CCCC1	1924123905	GMOYVRFCFXZRRA-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@@H]2C=CCCCC2)C1	1925733637	FYSRSKZKOIDJGY-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)CCN[C@@]12CCCC[C@@H]1CCC2	1926209869	OREYOQGKJUVACY-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C(=O)CC1(C)CCCCC1)C(C)(C)C	1935605175	YUYKVQHIOBEHRH-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(OCC2(C)CCCC2)c(Cl)c1	1936604489	IKABSNLRCKVNEY-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCCC[C@@H](CC[C@H](CC)CCCC)NC	1939119958	YDQMYSCDPLJKPH-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CC1(CC(=O)[C@H]2CCCC2(C)C)CCCCC1	1940384490	FOYDMLXWAYSGRL-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CC[C@@H]1CC1(C)C	1940853426	NZLPOZPIMYOCLU-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H]1CCc2[nH]c3c(C)cc(Cl)cc3c2C1	1941014838	BFOHTXBIKUEBKV-SNVBAGLBSA-N	247.769	4.645	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@H](CC(C)C)C(C)C	1941266412	FJCJNVXAFSMZCE-XHSDSOJGSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](CCCCCC1CC1)CC(C)C	1941590664	DBCIFOFFLYDXJO-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C(=O)CC2CCC=CCC2)CC1	1941793931	SLSYUTGPYUXNLE-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CN[C@@H](C(C(C)C)C(C)C)[C@H](C)CCC(C)C	1942665622	ZJXGRAYHJBGQJD-GDBMZVCRSA-N	241.463	4.575	0	10	BJAE	
CCSc1ccccc1NC[C@H]1CCC[C@H]1C	1944961942	CQRVMXCDQUPBOX-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@@H]1CCC(C)(C)C1	1945597263	JWIFBVYKTHEQNP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCCC1(F)F	1947289904	PLEAYLYGXLNSBW-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC1(C[C@]2(N)CCCC[C@@H]2C(C)(C)C)CCC1	1948973736	YLSBDFMPRPYMON-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@H]2CC[C@H](C)C2)CC1	1949436497	XEBOVZUJCUIOAC-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](N)[C@H]1CCC2(CCCC2)C1	1949551604	LJJAFTZLJMAMIZ-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CC1CC(C)(C)C1	1949737775	HVAOCPVUOOBRMY-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C[C@H]1CCCCC1(CO)CCCCC1	1950371674	KENUBEAEIAXCJM-CQSZACIVSA-N	238.415	4.536	0	10	BJAE	
CCCC1CCC(c2csc(S)n2)CC1	1960979181	HXYYAEBILASFOL-UHFFFAOYSA-N	241.425	4.506	0	10	BJAE	
C[C@@H]1C[C@H]2CCCC[C@H]2N1CCCCCC1CC1	1966209108	IGVLYFWHSISGMH-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
C[C@@]12CCC[C@H]1N(CC1CCCCCC1)CCC2	1966618824	YFZPWQWMLLVZMI-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
Cc1cc(C)cc(NCC2CC(C(C)(C)C)C2)c1	1968307393	JLRALVNUZOJKLK-UHFFFAOYSA-N	245.410	4.788	0	10	BJAE	
C[C@H](N[C@H]1CCCCC1(C)C)C1CC2(CCC2)C1	1969956450	ZSLMMTCMGGLMDR-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](NC[C@]12CCCC[C@H]1C2)C1CCCCC1	1973225244	IHAIRSJKJVLNBQ-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC1(CNc2ccc(C3(C)CC3)cc2)CCCC1	1973405091	ZQJNNFCIJHJXDS-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
CCC1(CC)CC(Nc2ccsc2Cl)C1	1975265067	XLGYAUWBDZPFAW-UHFFFAOYSA-N	243.803	4.782	0	10	BJAE	
CCCCCC[C@](C)(N)CCC[C@H]1C[C@@H]1C	1985903271	RSRQTPVGCCTKQP-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(Cl)nc1	1990097774	JNESNEKPKVNGHM-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CC(C)Sc1ccccc1N[C@@H](C)C1(C)CC1	1996565077	XGSCPPAHQIYTAH-LBPRGKRZSA-N	249.423	4.788	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)CCCC2CC2)CC1	1996593125	FRTTXCAPLBVKPQ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@H]1C=CCCC1	1998376631	FBYUGCAJHYLEFF-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C)CC1=CCCCC1	1998380564	OUFVIRRSSZTNBZ-OAHLLOKOSA-N	235.415	4.601	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H]2CCC=CCCC2)s1	1999979968	WZFXMYWHXOIUSN-KBPBESRZSA-N	249.423	4.583	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)[C@H]2CCCC(C)(C)C2)C1	2000100051	SJWAKAVRDLXPRK-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCC1CC(C(=O)[C@H]2CCCC(C)(C)C2)C1	2000107483	UCXZZDPQXFXWBV-MOKVOYLWSA-N	236.399	4.598	0	10	BJAE	
CC1(C(=O)C2CCCCCC2)CCCCCC1	2000218032	FKINKHXLWQPORK-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1CCCCCC1(F)F	2000761497	JBMIFZJJXJQMDN-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@H]1CC12CCCC2	2001210599	LGVGZQZOXGKQSL-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@H]1CC12CCCC2	2001259450	NTTVLPNEQODMQI-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2002155288	MULZWBHGMKZLCY-NHAGDIPZSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)C(=O)C1[C@H]2CCCCC[C@H]12	2002782728	SDAXRTHKLHFDRE-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@@H]1C=CCCC1	2003069928	FWULENPZBIURQW-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CCC3(CC3)C2)s1	2003287704	MFNOPNGLZMACDZ-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CCC(C)=C(C)C)[C@@H]1C	2006980262	OHPCXUIECMCLEZ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)C1(C)CCC(C)(C)CC1	2007698407	SQKBYAIVZGZDRN-MJBXVCDLSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCC[C@@]1(N)C[C@H](C)CCC1=C(C)C	2009574958	YFZZNQKEUBRRPM-QNQFUXMYSA-N	235.415	4.587	0	10	BJAE	
CCCCCC1CC(N)(CC2(CC)CCC2)C1	2009791189	IWENENCSBUYJRM-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@](C)(O)C1=CC[C@H](C(C)(C)C)CC1	2010721632	LYRRFHHZMNARNI-BBRMVZONSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC[C@]12CCC[C@@H]1C2	2011011429	OPHNPMBLHVAFCE-FMKPAKJESA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@H]1C[C@@H](N)CC(C)(C)C1	2012058848	KKNUIXBBVPMFLR-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]1C[C@H](CCC(C)(C)C)CC(C)(C)C1	2012063856	SRECTCPIFSEENL-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@](CC)(CNCCC)C(C)C	2012415688	DLJSTFPFHXLPCV-MRXNPFEDSA-N	237.431	4.561	0	10	BJAE	
CC[C@](N)(CCC(C)C)C1=CCCCCCC1	2013296706	NMKRCPZGIZTMML-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)C1(C)CCCCCCC1	2015278516	OUTRKMGFVXZXMQ-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H](C)C(C)C)NCC	2015279241	VPLFBRGAWMKSFK-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@H](N)CCC(C(C)C)C(C)C	2015345373	RELWMWKGNPUMSA-CQSZACIVSA-N	241.463	4.848	0	10	BJAE	
CC(C)C(C[C@@](C)(N)CC1CCCC1)C(C)C	2015407847	FAWYLIPBIQERBF-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCC[C@H](C)CC2)CCC1	2017140044	CIWWGFVEDUPFJB-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC1([C@@H](O)C[C@H]2CC[C@H](C)CC2)CCCCC1	2017651231	RAEKKBPAFYQHOC-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)[C@H](C[C@H]1CC[C@H](C)CC1)NCC	2017724782	OGZPPUSSQHJKPO-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CC[C@H]2C[C@@H]2C)CC1	2017774135	KRIOVNAOPQLUTO-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)CC1CCCC1	2018127788	NWCALHJRUXDFLG-GDBMZVCRSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@]12CCCC[C@@H]1C2	2018579889	BDZMMJGRXFCELY-BZUAXINKSA-N	237.431	4.645	0	10	BJAE	
CCC1(C[C@@]2(CN)CCCC(C)(C)CC2)CC1	2019002222	HKSDITMVULDMCV-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCCC1(C[C@H](N)C[C@H](C)CC(C)(C)C)CC1	2019007674	DUTIGPHEFWZMQR-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC(C)(C)[C@H]1O	2020407293	FENOYJYCQVLQQJ-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CC(=O)C1CCCCCCC1	2022557394	NZYQUYGWQYXNRH-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCCC(C)(F)F	2023299976	QZZWPJFJYKKVJS-LBPRGKRZSA-N	248.357	4.988	0	10	BJAE	
Cc1cccc(C(=O)[C@]2(C)C=CCCC2)c1Cl	2024360992	LMZSAXUAVSTOIX-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1C[C@@H]1C(C)C	2026082053	ZDNJFFOZVWORHH-OFQRWUPVSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CCC(C)(F)F)NC	2026170997	UBWLRGHWPGIANN-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CN[C@@H](CCC1(C)CCCCC1)c1ccccc1	2027317102	QADPDVCUUVSOBO-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CC[C@H](C(=O)c1ccc(C(C)(C)C)cc1)C(C)C	2028250747	ADZXGCSTYBTVKG-HNNXBMFYSA-N	246.394	4.849	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1cccc(C2CC2)c1	2028551018	BMBHGSCAODQMEE-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)c1cccc(C2CC2)c1	2028558022	SLAZFSNDHIBGMU-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(C(=O)CCCCCC2CC2)c(F)c1	2028626211	RBFPZTTXSQANAA-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2C[C@H]3CCC[C@@H]32)CC1	2028772818	VACKMBZVLYEMDR-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@]12CCCC[C@H]1CCC2	2031763024	ZWKPFYIIUIEUOF-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)CCNC[C@]12CCCC[C@H]1CCC2	2031804403	KGSUVUVXJZPUOT-DLBZAZTESA-N	249.442	4.683	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@H]1CCC(C)(C)C1	2033387946	PIPVQLXIEJMECI-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]3CC[C@H]2C3)CCCCCC1	2035044152	PNTMNWWVVPXPIF-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC(=O)c1ccc2c(c1)CCCC2	2035260472	WGBZHCHKMZDEAB-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)c1c(C)coc1C	2035533235	TYRHSCADBJCMDQ-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2C=CCCC2)CCC[C@H]1C	2035585082	BTDKEXQBYPNHBO-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCN1CC[C@H]2CCCCC[C@H]2C1	2036503582	UOEBSRJEXVFSPU-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
CCCC[C@H](CC=Cc1ccccc1)NCCC	2036506737	WMFIHPHZNYIKFA-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
CC(C)c1ccc([C@H](N)C2(C(C)C)CCC2)cc1	2037085487	BXWCZGOCYKKRCJ-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2C=CCCCC2)CC1	2039033297	UWJRXCLQHSXPPD-IKGGRYGDSA-N	249.442	4.824	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2CC23CCCCC3)C1	2039059110	ROMLKXXSHGRXGV-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@H](N)CC1(C)CCCCC1	2039439659	ZKWKWKFKNGRXTF-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2[C@H]3CCCC[C@H]32)CCCCC1	2039873444	WJLYIGLKKUHNEC-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2ccccc2F)CC1	2041384796	WXGVSADZYQNKGW-OLZOCXBDSA-N	248.341	4.615	0	10	BJAE	
C[C@@H]1[C@H](C[C@@]2(N)CCCC3(CCCCC3)C2)[C@@H]1C	2043453416	JGYLSVFHHQGFFC-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1CCCC[C@@H](C[C@H]2CCC=CCCC2)C1	2045325222	CJDRAPPIDVLIQO-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(CC(=O)C(CC)(CC)CC)cc1	2045608998	VECXLCCNIXBMPY-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047424129	HZBQYDFVJPRMJH-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@@H]1CCC12CCC2	2047943643	SODAIUMIQHBBAO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@@]1(C)C=CCCC1	2049995605	AOJIFRPITDBSIZ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@H](O)CC[C@@H](C)CC(C)(C)C)cc1	2050426078	MNJYARJCGCUUKT-GDBMZVCRSA-N	248.410	4.881	0	10	BJAE	
N[C@H](C1=CCCCCCC1)[C@H]1CCCCC12CC2	2053407399	NRISDLPYLUEPMP-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC)C[C@H](C[C@@H]2C=CCC2)C1	2055039527	PGCBPAXRPBYOMH-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1Nc1ccc(CF)cc1	2055671931	NIKMGSPVORHWHU-IUODEOHRSA-N	249.373	4.783	0	10	BJAE	
CCCN[C@H](C1=CCCC1)C1(C)CCC(C)CC1	2056554159	VCDZKDNKKJXYPI-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
CCC1CC(C[C@@H](N)[C@H]2CCCCC23CCC3)C1	2056650540	HSNQZFBLZBTPFZ-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1CCCC12CC2	2059225264	LKPVBYDJAOCLNB-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)[C@@H]2CCC[C@@H](C)C2)CC1	2061118502	HNCAVDBILXTUJH-WTTBNOFXSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@@H]1C[C@H](C(C)C)CC[C@H]1NCCC	2061561679	UQNFDGZVEWFDDV-BRWVUGGUSA-N	249.442	4.548	0	10	BJAE	
C=C=CCC[C@@H]1C[C@H](CC)CC[C@@H]1CNC(C)C	2061562272	BEAFISXOUGISAH-BRWVUGGUSA-N	249.442	4.548	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@]23CCC[C@@H]2C3)cc1	2061604040	XFQMNCWXRJNDSF-WBVHZDCISA-N	242.362	4.573	0	10	BJAE	
CC(C)(CCN[C@H]1CCCCCC12CC2)C1CC1	2062015951	CGVXECZXAAVJGG-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCC1	2063491355	QZQMSFDMCOVPOZ-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)C1CC2(CC2)C1	2064498356	RNODTIIVLJCVCJ-CYBMUJFWSA-N	243.394	4.801	0	10	BJAE	
CN[C@@H](CC12CCC(CC1)CC2)C1CCCCC1	2065308709	TVVYKPHRAGVRJB-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CC12CCC(CC1)CC2)[C@H]1CC1(C)C	2065336892	HBBCMWIRQCLVOE-VLVHBFOGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)c1cc(C)cc(C)c1	2068821331	GZQSJVSPLFAUBJ-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H]2CC23CCC3)CC1	2069168156	OCMOKGCENQXDFD-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCCC1(CN(C)[C@H](C)c2ccccc2)CCC1	2069282166	HDGYNUIOZDQBAQ-OAHLLOKOSA-N	245.410	4.650	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H]2CC[C@H]3C[C@H]32)CC1	2071060636	YVGKKHIHTOMWNC-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)ccc1C(=O)CC1(C(C)C)CCC1	2071918798	WDKDAROMIGJZAL-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CC[C@H]3CCC[C@@H]3N2)CCC1	2071949117	IEYYHTRKKOUDQN-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)C(C)(C)[C@H]2CC[C@@]1(C)C2	2075812871	ZWILAXCZNUJDKC-XIRDDKMYSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)C1CCC1	2079530643	PBABQHUUMDWSTB-IXDOHACOSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@]1(N)CCCCCC12CC2	2079887522	WMRRQXGQEKXAII-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@@](C)(O)C[C@H](C)CC(C)C	2081206276	KMIGYLXTMPPDFC-PBHICJAKSA-N	248.410	4.529	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2CCC3(CC2)CC3)C1	2083039813	ZFVJIFPPPWIGLV-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CCC)CC1C2(CCC2)C12CCC2	2083569103	DMNRPKRNQRYQCQ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCc1ccccc1	2086044438	NSSXHNKDUCHVAL-RDJZCZTQSA-N	248.410	4.587	0	10	BJAE	
CC(C)CCCCCC1(O)CC(CC2CC2)C1	2213384561	BHPSHUZNXUJYDV-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]([C@H](N)CCCCCCC1CC1)C(C)(C)C	2213572945	BVIZTABIKGIOMT-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
Cc1csc(C(=O)[C@H]2CCCC3(CC3)C2)c1C	2213636207	KPUPCZASBGXISO-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
C[C@H](CC(=O)CCC1CC(F)C1)CC(C)(C)C	2215038646	OHLUEYYBOBDHEV-PNESKVBLSA-N	242.378	4.546	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC1(N)CCC(C)(CC)CC1	2215250932	NXIVUJPJOHFVGL-FXQLRMTLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC(C)C)CC=C(C)CC1	2215825492	DRKUJBKKRAYDOA-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC/C=C/CN[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216252211	ISIJLSKCEKHAMU-FHFZEBMASA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCCCC(F)F)CC1	2216516820	WJSFERLTPUNRTI-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1C[C@H](O)[C@@H](CCCCCCCC2CC2)C1	2216858223	BTLKBLIBTLJNKL-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](C)(CCC(C)(F)F)CN[C@@H](C)CC	2217126472	UEDDURDXDMCKBD-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1CCC2(CC2)C1	2218725042	KRRPTUYZPKUIOQ-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCCC1CC1)c1cc(C)ccc1C	2220046687	UPIIOHATGXSXKN-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@H]([C@@H]1CC1(C)C)[C@@]1(C)CC=C(C)CC1	2221608570	AVJLIEJMZQCFPT-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](c1ccccc1C)C(C)(C)CCC	2222303577	VKXXESOHMRWVNY-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)c1cccc2ccoc12	2224180826	CQKFOEBOMTVPQJ-DOMZBBRYSA-N	245.366	4.505	0	10	BJAE	
CCC(O)(CC)CC[C@@H](C)CCCC(C)C	2244850888	INBKHCPLJQJFLZ-AWEZNQCLSA-N	228.420	4.780	0	10	BJAE	
CC(C)C(C(=O)CCCC[C@H]1C[C@@H]1C)C(C)C	2247176234	NUISGEHCTWRDQA-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](CC=C(C)C)CCCCC[C@@H]1C[C@@H]1C	2248820162	OEUFVWHFLSNDKM-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2250361638	OQCROGASUVFTSN-CBBWQLFWSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1ccccc1C(C)C	2250367900	BDCXAGDKHDHDEQ-CJNGLKHVSA-N	234.383	4.670	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@]12CCC[C@@H]1CC2	2251149168	KEHPHUBKKYPUCS-SQWLQELKSA-N	236.399	4.742	0	10	BJAE	
CC1CC(CCC(=O)C[C@@H]2CCC[C@H](C)C2)C1	2251761739	UWPFGPWDKHSUSL-FGZQJIAISA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(C)([C@H](N)CC2CC3(CCCC3)C2)C1	2254118033	CVUIOVIQTNPWRZ-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@@H]1C)[C@]1(C)C=CCC1	2254527519	FQNFOFGMHADUEL-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@@H]1CCC1(C)C)[C@@]1(C)CC=C(C)CC1	2255010597	DETPUOOCRYFQOX-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
C1=C(CN2CCC[C@H]2C2CCCCC2)CCCC1	2255144506	VGUQVEYJYYTRGF-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
C[C@@H](CC[C@H]1CCCC12CC2)c1ccc(N)cc1	2255234909	QXYZCTNZWNZEPA-DZGCQCFKSA-N	243.394	4.733	0	10	BJAE	
CCCc1ccc(CN(CCC)C(C)(C)C)cc1	2256319659	USDIDGKYJBBORD-UHFFFAOYSA-N	247.426	4.650	0	10	BJAE	
CC1(C)C[C@@]1(C)CNc1cc(C2CC2)ccc1F	2259127158	FSCPFLZIEGIQOH-INIZCTEOSA-N	247.357	4.551	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@@]12C=C[C@@H](CC1)C2	2259635027	CHGJVBGNKRCLBQ-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC(C)NCC1(C[C@@]23CCCC[C@H]2CC3)CCC1	2260679165	PSURYZJTOAGAJI-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](NCC2CC(CC(C)(C)C)C2)CCC1	2261181619	JDCXHCCWTKGAJE-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC=CC[C@]1(N)CC1CC(CC(C)(C)C)C1	2261299129	HCNDQTZTVIFVNE-GIOUXUJVSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C[C@H](C)C1CC1	2300700118	KGQFTQHNPPMIIO-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CCCc1ccc2c(c1)CCCC2	2300928060	BERBVCIRKKPPHC-UHFFFAOYSA-N	228.379	4.854	0	10	BJAE	
CCCCCSc1ccc(C=O)c(C2CC2)c1	2301285087	LKQQROSLCCPADX-UHFFFAOYSA-N	248.391	4.659	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@](C)(O)C1(C)CCCCC1	2301869435	NYIGPQJJSFAGLX-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](CCC(=O)CCC1=CCCCC1)C(F)F	2301926480	PFCDNBIRFHJVTL-NSHDSACASA-N	244.325	4.518	0	10	BJAE	
C[C@@]1(CCCC2=CCCCC2)CCCCCN1	2302323012	MCBRBMVDUSOYII-INIZCTEOSA-N	235.415	4.579	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CCCCC1CC1	2302579749	MGVQPERUTAUAKS-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC(C)(C)C1)CC(C)C	2302899996	SICBDYVVGIXIHM-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C[C@@H]1CCC(C)(C)C1	2302900376	DFIUYTBZCUMYLV-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@H]3C[C@@H]32)cc1Cl	2302923079	ZFOIWOABWURYCJ-CORIIIEPSA-N	249.785	4.639	0	10	BJAE	
CCc1cscc1NCC[C@@H]1CC[C@@H]1C1CC1	2303162970	XMORVNHXZUCCDP-UONOGXRCSA-N	249.423	4.549	0	10	BJAE	
CCCCCCc1nc([C@]23CCC[C@H]2C3)cs1	2307702229	UZEOOJQJODMBMQ-WFASDCNBSA-N	249.423	4.708	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2307926710	QDVJNFCXCRSGSR-DGADGQDISA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](O)c1ccc([C@@H](C)CC)cc1	2311503441	UFFYHQATUIKBIH-DXEWXGHRSA-N	246.394	4.670	0	10	BJAE	
CC1(CC(=O)C(CC2CC2)CC2CC2)CCCC1	2313651143	LXIQRHDCMKPEFU-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1ccccc1C1CC1	2316234946	FRZGYWJKEMPRNK-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H](C)c1ccc(C)cc1	2316239008	PBEFCJULQDRRGP-RHSMWYFYSA-N	247.426	4.642	0	10	BJAE	
CCC(C)=CCNC1CCC2(CCCCC2)CC1	2316487791	FGYVQIAUVSSOTA-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317158532	VAAOJTJPYLDFDY-WCVJEAGWSA-N	249.442	4.523	0	10	BJAE	
CCCc1ccccc1[C@H](O)[C@H](C)[C@H](C)C(C)C	2317834524	KDRAYDFGZPWCGI-CKEIUWERSA-N	248.410	4.601	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N1[C@H]2CC[C@H]1c1ccccc12	2318002003	TYTYHEGLNRMAQE-RMHZUWNSSA-N	243.394	4.559	0	10	BJAE	
C[C@H]1CCC[C@@H](CNCCCC2=CCCCC2)C1	2318528596	HOIVKBQNOLRIMS-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
C[C@](N)(CCCC1=CCCCC1)C1CCCCC1	2318573035	NEEJTLNVTSUYRY-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCCN[C@@H](CCCC1=CCCCC1)C1(C)CC1	2318589996	WMHJXUOIGMSMJS-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@H]1CC12CCCCC2	2318943573	HPSDPCLXIUTMFU-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C1CCCC(CN[C@@H]2CCCC[C@@H]3C[C@H]32)CCC1	2319436941	AMHVFBBGQXKHHZ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C(=O)CC[C@H]2CC[C@@H]2C2CC2)CCC1	2319728130	VQJRKDYUANNRQB-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CNCCC1=CCCCC1	2320189334	MAXFDUUGRMIRNM-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@](N)(CCCCCCC2CC2)CC1	2320267862	JRTRAZLTJBBQGG-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C[C@@H]2CCC(C)=C(C)C2)C1	2320334144	MKBCBPSLKKSADV-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	2320450168	SAYKRGHNZZVAPW-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCC(C)(C)C2)cc1F	2321527714	HQHWOSKNQZTGJV-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@]2(O)CCC(C)(C)C2)c1	2327708284	MHLCGXWHLIYZRC-QGZVFWFLSA-N	246.394	4.516	0	10	BJAE	
CCC[C@H](CC)Cc1ccc2c(c1)CC[C@H](C)N2	2328184887	CAVOVVLGNSUHDL-KBPBESRZSA-N	245.410	4.802	0	10	BJAE	
CC(C)c1cc(C(C)C)c(C(C)C)cc1N	5285159	LJRKRNOARHTYTI-UHFFFAOYSA-N	219.372	4.639	0	10	BJAE	
CCCC[C@H](N[C@@H](C)C(C)C)c1ccccc1	37249726	SZHPQOQGPJSKNC-HOCLYGCPSA-N	233.399	4.552	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)c1cc(C)ccc1C	37313313	ABCWVTCRFKMFRY-GJZGRUSLSA-N	233.399	4.533	0	10	BJAE	
CCCC[C@H](CC)Nc1cccc(Cl)c1	68985459	MRFUUKYBEQBZGH-LBPRGKRZSA-N	225.763	4.721	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(CCC)CNC(C)C	71127749	UIOATAXSGXTVID-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@](C)(CCC(C)C)CNC(C)(C)C	71127819	AWDNVRAKKIOCPY-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
FC(F)(F)c1cccc(C2CCCCC2)c1	75841214	BBHXYBHVQCUJTM-UHFFFAOYSA-N	228.257	4.753	0	10	BJAE	
Cc1ccc(C(C)C)c(O)c1C1CCCCC1	75841586	HYMYKGVPBZMSJD-UHFFFAOYSA-N	232.367	4.872	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2c(C)cc(C)cc2C)C1	80457197	XUTOYBZWRJOTBZ-HUUCEWRRSA-N	231.383	4.602	0	10	BJAE	
CCNCC1CCCCCCCCCCC1	84325476	QKJFAYAYFCRZGA-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCC(C)(C)C1	87769137	PUHXNCRYHLFMEN-GFCCVEGCSA-N	237.774	4.639	0	10	BJAE	
CC1(C)CCC[C@H]1Nc1ccc2ccccc2c1	94304663	AIWWYSWAHDWHBV-MRXNPFEDSA-N	239.362	4.830	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1cc2cc(C)ccc2o1	97063396	LTHRFRFPGFRVMY-FZMZJTMJSA-N	245.366	4.567	0	10	BJAE	
CCc1ccc2nc(Cl)c(C(C)(C)C)cc2c1	103916749	WSCCOQCTOWHCOT-UHFFFAOYSA-N	247.769	4.748	0	10	BJAE	
CCCCNc1ccc(CSC(C)C)cc1	107791403	VSGJEYUCCDSPBF-UHFFFAOYSA-N	237.412	4.540	0	10	BJAE	
Cc1cc(C)c2cc(C(C)(C)C)c(Cl)nc2c1	109607139	MONWXSMZSYLUOJ-UHFFFAOYSA-N	247.769	4.803	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC[C@H](C)C2CC2)cc1	124949254	LFKCJKPQBCGFNC-KBPBESRZSA-N	245.410	4.507	0	10	BJAE	
CCCC(CCC)[C@H](CCC(C)C)NCC	125075989	PPRXBYFDSOETKO-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](NC2CCC3(CCCC3)CC2)[C@@H]1C	129413879	IZYPCGAEHRWVSN-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)c1ccccc1Oc1cccc(N)c1	157951258	WQJBIMYASLGMOI-GFCCVEGCSA-N	241.334	4.575	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(O)C1CCCCCC1	167670450	PTNBTNAQCLJECD-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CN[C@@H]1CCC12CCCCC2	230168049	YUVITKWGLWSRJY-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	251372429	QRNUOVYHAGGVNC-ZJIFWQFVSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CC)C[C@H](C)CC	252406348	GEZFVCGIYMJGQE-ILXRZTDVSA-N	227.436	4.760	0	10	BJAE	
CC(C)[C@H](N[C@H]1CC[C@H](C)CC1)c1ccccc1	253124024	KIGNQPMMWFMFHD-XIRDDKMYSA-N	245.410	4.552	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@@H]2CCC[C@H]2C)cc1	300280831	XZUMIXSCDSRFLJ-WOSRLPQWSA-N	244.378	4.819	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)CCCC(C)(C)C	300814458	GGXICFQIJKPPCJ-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CCCC(C)(C)C)NC(C)C	300903317	RDDMNPZVLGTZPJ-CQSZACIVSA-N	227.436	4.760	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)c1cc(C)ccc1C	302288280	KTAJHOSWERGQMI-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCC1CCCC1)NC	305961198	OOFUKPUEPKOHQL-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(N[C@H](C)CC2CCC2)ccc1C	306047073	TYSOGRVMYBICDD-CYBMUJFWSA-N	231.383	4.548	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC(C)(C)C(C)(C)C	310130359	AGJJAJWMALBXRV-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H]1CCC[C@@H](C)C1	310236270	KVJDWDXYFBFIKE-LVQVYYBASA-N	239.447	4.747	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2CCC[C@@H](C)C2)CC1	310388323	IISZFJLKCHTNBG-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CC(C)NCC[C@@H](C)CC1CCC(C)(C)CC1	310489826	GXHJBDWPUKBKAL-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](NC)c1ccsc1Cl	312545683	OMUJVUJQJVNVSP-LLVKDONJSA-N	245.819	4.632	0	10	BJAE	
CC(C)NCC(C)(C)CC/C=C/c1ccccc1	317408654	ONBLSYTVTKCVAG-XYOKQWHBSA-N	245.410	4.504	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(CNC(C)(C)C)CCCC1	319500908	BMMIGVGEJHHLDM-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCCC23CCCC3)c1	328103914	MBGAICZAQUYRHW-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
Oc1cc(Cl)c(C2=CCCCC2)cc1Cl	379786690	FOKCVOPCKLQONC-UHFFFAOYSA-N	243.133	4.656	0	10	BJAE	
CCCCC[C@@H](NCCC)c1sccc1F	381046234	HBUOPBHITCFMNO-GFCCVEGCSA-N	243.391	4.508	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H]1CCCC12CCCC2	383107503	DMHVDWKAPIHSLI-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@H]1CCC12CCCCC2	385117662	JTTNCOZLYRTSOZ-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C[C@H](O)CCC1=CCCCC1)C(C)(C)C	386331974	VROIPBSVLARDFE-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
CCOc1ccc2c(CC)csc2c1Cl	396202039	VHPQATKQXIQDNG-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc2c(C(F)(F)F)cc(C)cc2s1	396303115	LNXMIOYBEAUICH-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C1(C)CCCC1	398641213	XFKHWWSEYAIQCG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H](C)C(C)(C)C	399035120	MQOZDUPJZDBWMD-HZSPNIEDSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@@H](C)C(C)(C)C	399163267	JGSLWBMOGLXGOG-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CNC(C)C)(CC2=CCCC2)CC1	401087552	SKOCOSURPNTOTK-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCCC1CC1	405845345	VBPYPFCVFPBOMK-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)C(C)(C)C	686247295	RSOFYUMPSGVKAB-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC(C)C1([C@@H](O)CCC2CCCCC2)CCC1	686927982	BUVGYUWZPUDPQH-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)c1ccoc1C	688418399	MRPIXJSWCSVTEJ-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)[C@H](C)C(C)(C)C	688949242	MDGMSWJQNGFOHK-XJKSGUPXSA-N	247.426	4.753	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2cccc(C3CC3)c2)C1	690161715	YUMROSDRIZEPJY-DOMZBBRYSA-N	229.367	4.555	0	10	BJAE	
CC(C)C(Nc1cccc(F)c1Cl)C(C)C	690268745	SWOKOUZEEVPHNK-UHFFFAOYSA-N	243.753	4.572	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1ccc(Cl)cc1	696568584	SRGAYNUVYFJCNU-CYBMUJFWSA-N	240.774	4.590	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1ccc2ccccc2c1	701122412	RHRGTVQCXTVCBK-INIZCTEOSA-N	241.378	4.666	0	10	BJAE	
CC(C)CCC[C@@H](O)c1ccccc1C(C)C	703959827	JUNOUBCBGHVHOS-MRXNPFEDSA-N	234.383	4.670	0	10	BJAE	
C[C@](N)(CCC1CCCC1)[C@H]1CC2CCC1CC2	704504647	BOBNMLVWFLUVIT-GQGLESIBSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)c1cocc1C	705295427	TYUTZNMWVHYKLK-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@H]1CCCC12CC2	706283595	JRJARVLBUWLGLL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(N[C@@H]2CC[C@H]3CCC[C@H]32)CC1	707834708	LNJNOGSTLHHEDK-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(N)CCCCCC1	709140605	GNPAQXIQLTXENI-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)C[C@H](C)CC(C)(C)C	709158001	ALYFXSOHTUQXCR-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CCC)Nc1cc(C)c(N)cc1C	710674902	XGZRWIZGKJMVEI-AWEZNQCLSA-N	248.414	4.656	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)C(C)(C)C)C1CCCC1	710744008	YFHDSUVUEBMVCB-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
C[C@H](C[C@H](O)c1cc(Cl)cs1)C(C)(C)C	710773311	PTNBVAATJPEZJT-SCZZXKLOSA-N	246.803	4.507	0	10	BJAE	
CC[C@@H](C[C@@H](NC)c1cccc(C)c1)C(C)(C)C	711099482	WFDWLKVXUGJBAL-JKSUJKDBSA-N	247.426	4.718	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@]12CCCC[C@H]1C2	711224949	RTOIWSBOGDEEOW-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)c1cc(C)cc(C)c1	711247685	SYLWSKBPYJNXOQ-QGZVFWFLSA-N	248.410	4.727	0	10	BJAE	
C=C/C=C/CC[C@H](NC)[C@@]1(C)CC[C@@H](C)C1(C)C	713725049	LJQAVSLIKIZMEB-YOGUYNCLSA-N	249.442	4.559	0	10	BJAE	
CCCNC/C(=C/[C@]1(C)C[C@@H]1C)C1CCCCC1	714599054	WROLKBFNBQKQBM-PNBQMMRZSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCC[C@@H]1CNC(C)C	718495592	PFXGMLNIIJUNCB-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC1CCC(C)(C)CC1	721698892	FUMWSOBAQJODBO-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C[C@H]1CC1(C)C)C(C)(CC)CC	722679504	JRRNADIOHRTMCO-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1Nc1ccc(C2CC2)cc1	821905855	IUKJFYALXREMLT-IIYDPXPESA-N	243.394	4.801	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)CCCC(C)C	1183573103	QPEZFPFPXNRHCQ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
C=C/C=C\CCSc1ccccc1Cl	1559326931	FLGFWEZEOZCRQD-ARJAWSKDSA-N	224.756	4.564	0	10	BJAE	
C/C(=C/c1ccccc1)CNCCCC(C)(C)C	1620807109	LDDVJKXBZTXKKL-SQFISAMPSA-N	245.410	4.506	0	10	BJAE	
CC(C)N(C[C@@H](C)C(C)(C)C)C1CCCCC1	1651744983	GMMFRFFFPVGZJT-CQSZACIVSA-N	239.447	4.712	0	10	BJAE	
CCC[C@@H](C)CCNCc1ccc(C(C)C)cc1	1656864288	BAACGNFSNIGTQJ-OAHLLOKOSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC[C@@H](CC)C1	1905301515	GJQCXOZBQHGGOM-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC[C@@H]1CCC	1905369791	UFTNZIPKNRUDPZ-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@](C)(O)C[C@@H]1C[C@H]1C1CCCCC1	1910699630	GFPYTFLUBSSKHP-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCC2(CCCC2)C1	1916439207	RRGJFXIDQOJIJC-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CC2CCC1CC2)C1CCCC1	1924093724	SBEAZGONVFJMJD-ADNDVJRGSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](N)CCCCCC1CC1	1924103660	CXHXDWAHNOYVSR-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H](C)C1CCCCC1	1924136064	PVSUGEATQQELMC-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C=C1[C@H](CN)CCC12CCC2)CC(C)(C)C	1924938413	CYDDBWIPAMNVFL-KBPBESRZSA-N	249.442	4.524	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)C1(C)CC(C)C1	1925809771	MNPLLNSVEFJQAG-VUROTCPHSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@@H](Cc2coc3ccccc23)CCCC1	1925853448	DFLRPPCNQMXMEC-CYBMUJFWSA-N	226.319	4.722	0	10	BJAE	
CCN[C@@H](CC(CC)CC)CC(C)(C)C(C)C	1926178734	UXIKKFKCKWXCHV-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CCNC1C(C)(C)CCC1(C)C	1926190138	WNLSCZPIYXLOGW-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC[C@@H]1C=CCC1)C1CCCCC1	1932597040	YVJBYGFMKGOFSN-UONOGXRCSA-N	206.373	4.949	0	10	BJAE	
CC1(C)C[C@@H]1CCCOc1cccc(Cl)c1	1935934034	AYNCWJARWZZGLK-NSHDSACASA-N	238.758	4.545	0	10	BJAE	
CC(C)CCCCCC[C@@H](CN)CC(C)C	1938137622	BDCNHNGAMFKWLL-OAHLLOKOSA-N	227.436	4.604	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(N)C(C(C)C)C(C)C	1940255323	GFDADGOIVXNSHK-GOEBONIOSA-N	241.463	4.704	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1(C)CCCCC1	1940380367	RKQQZGVVRCXPEE-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@@H](CC2(C)CCCCC2)C(=O)C1	1940397990	VLWPCGHCOGYEKK-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@@H](C)C1CC1)NCC	1940717499	BLJHQOLIAFAVQY-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CC[C@H]1CC1(C)C	1940853238	MBJCOOBZZMEYGL-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@H](C)O[C@](C)(O)CCCCC	1942890187	UNIRQIJOOWABNB-CABCVRRESA-N	244.419	4.651	0	10	BJAE	
CC[C@](O)(C[C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)(C)C	1944200577	VZBTYYFZAUNVCK-NHIYQJMISA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@@H]1CC1(C)C	1944769995	VSOPHCCSORPHQS-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2C=CCCC2)C1	1947558501	KAWBQNFHCNCBJV-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CCC1(CNC2CCCCCCCCC2)CC1	1947880841	HZDALYWJRKQOLL-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCN[C@H](CCC1CCC=CCC1)CC(C)C	1948846509	ISBNIEHWDOZGRQ-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC[C@]1(N)C[C@@H](C)CC[C@@H]1C(C)C	1949024436	KQABSUAYUSQFND-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CCC[C@](N)(CCC(C)=C(C)C)[C@@H]1CC1(C)C	1949045269	MXZKQURFILJPFL-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)C2CCCCCCC2)C1	1949423605	YSMFJTUVYBQJML-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2CC(C)(C)C2)CC1	1950921185	CUVSURVHGNXTDR-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CN1CCC[C@H]1c1ccco1	1964139078	ZEYOYAIISLETAO-GJZGRUSLSA-N	249.398	4.633	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CC3(CCC3)C2)cc1C	1968254485	IEOVKYVRIFHCDO-CQSZACIVSA-N	243.394	4.684	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCc2cc(C)ccc21	1968994009	HJIDGVSWMMBCMD-WBVHZDCISA-N	245.410	4.541	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1CC=CCC1	1976654627	NNRXBSLGEHENLI-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CC=CCCCN[C@@H](CCC)c1cccs1	1984609189	XYGHQEGXSIQDMT-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
CCCCCC[C@H](NCCC)C(C)=C(C)C	1989666618	FCYDWCUWWGVMDX-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cc(C)c(C)s1	1989969287	CZEQPWXPUNVQTF-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CC(C)CC(=O)CC[C@H]1CCCC(C)(C)C1	1994026176	NTOMKUJAENCLFC-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
C[C@H](NCCC(C)(C)C)C1CCC(C)(C)CC1	1996551889	HXNMACSCGVIQBY-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@](C)(O)C1CCC(C)(C)CC1	1996553625	QFYHZUNASCSGHZ-ZENOOKHLSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C1(C)CC=CC1	1997543664	KCYFJFNPLIWZBJ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
O=C(CC[C@@H]1CCC=CCCC1)C1CCCC1	1999984042	SVRJYGZLKWIYFB-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C2CCCCCC2)C1	2000053057	ZZOZNYKNWVPOEF-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)[C@@H]1CCCC(C)(C)C1	2000144635	YUUUJWLYTAIQEZ-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC)C(=O)CCC(C)(C)C1CC1	2000215326	RYPVSGKBWRHULF-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)c1sc(C)cc1C	2000370618	DMZAADLQWWZOCP-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CCCC[C@@](C)(CNCCC)CC1CCCC1	2000509441	PEBAVSBOMGLSAM-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@H]1CC12CCCCC2	2001224429	IIQZBXIKCDONSA-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](O)[C@H]1CCCCC12CCCCC2	2001561488	NHCQUTOMVMWZRQ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(O)C[C@@]1(C)CCCCC1(F)F	2002585224	AFUOFCKKZUNOEM-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(O)CCCC2CCC2)C1	2002999580	VNQYHQJWGBNYSG-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](N)C(C)(C)C)CC1	2003067180	OIDXQYJIPDRMNK-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@H]1CCCC[C@H]1CC	2004726119	YKHOAFVEWKQEBM-VNQPRFMTSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CC[C@H](NCC2(C)CCCCCC2)C1	2004937065	JSJVPMRHVQZBDM-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@H]1CCCCC12CC2	2005563580	LQMAMZJPFIIYAU-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1CC(CC)C1)NC	2007748690	FZFASNRBKJDKPU-QDIHITRGSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)c1cc(C)sc1C	2007948867	ZLTCJTXPSVSQSM-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CCC2(C)CC2)CC1	2009548072	MUHVWVOJTFFQCG-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H](C)CC(C)(C)C)NC	2009619562	MSISBEZFSRDJBI-FHFZEBMASA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H](C)CC(C)(C)C	2009633732	BMPXJBUKWQYCKE-LADOHOGBSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@H](CC(C)C)C1=CC[C@H](CC)CC1	2010716195	VSMWIDNOFFXGDZ-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C1CCCCCCC1	2011569117	BKNZUFZKLLLZFV-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CCC[C@H]1C[C@H]1C)CC(C)(C)CC	2011581432	UTEXWHYMDULMCS-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011982517	KPPCYEWKGCBAJA-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCC(N)(CCC)CC1C[C@@H]2CCC[C@H]2C1	2011986320	MPDGQRRPAWNICU-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(C(C)(F)F)cc1	2012748791	KHRQKZJVWDLHAW-NSHDSACASA-N	241.325	4.789	0	10	BJAE	
C[C@H](N[C@H]1CCCC(C)(C)C1)C1(C)CCCC1	2014341021	VIWYBBPKXQMOTF-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(C[C@H](O)[C@H](C)CC(C)(C)C)C(C)C	2015282900	ZKKAEYSDNQEROP-HIFRSBDPSA-N	242.447	4.738	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C[C@H](C)C(C)C	2015407447	AXRLJWCJKHPKHX-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CC2(O)C[C@H](C)C[C@@H](C)C2)CCC1	2015641068	ZRMPNEZGISEBNW-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(O)CCCC[C@H]2C)CC1	2017653381	RWEHYHDOSVXNJY-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@H](C)[C@@H](C)NC(C)C)CC1	2017723248	SROOJHOSDSJQME-QRNKSROTSA-N	239.447	4.616	0	10	BJAE	
CCCCCC1CC(N(C)[C@H](C)[C@H](C)CC)C1	2019388496	GUZYAMYGXFYDKG-WXLSXGNJSA-N	239.447	4.712	0	10	BJAE	
CCCCCC[C@@](C)(O)CCC[C@H]1CC1(F)F	2019564978	AYCLKNOUMPOQDK-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1(C)CC(C)(C)C1	2020975975	IDMJAWOEZWWMSZ-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H]1C[C@@H]1C(C)(C)C	2022521948	DSRAHGRRHTUEPZ-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
CC(C)CC(=O)C[C@H]1C[C@H]1C1CCCCCC1	2022553708	IEVDOHJWRBXFHQ-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](C)(CNC(C)C)CC(F)=C1CCC1	2023203760	BRQVNVNIOMVEIW-HNNXBMFYSA-N	241.394	4.588	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCC[C@H](C)C2=O)CC1	2024002783	BPFQJKCESQBIGX-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(O)CCC(C)(C)C2)C1	2024128095	KBNSQPRVAOZFGO-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCc1cccc(CC)c1N[C@H]1CCCC[C@@H]1C	2027005553	SNIDPHPPJZTWSS-BBRMVZONSA-N	245.410	4.802	0	10	BJAE	
CCc1ccccc1[C@@H](O)[C@@H](CC(C)C)C(C)C	2028234611	IAORIBPMHSTCLR-DLBZAZTESA-N	248.410	4.601	0	10	BJAE	
CCCCC1(Nc2ccc(C(C)(C)C)cn2)CC1	2029488347	HNXLOVIFCHLFCT-UHFFFAOYSA-N	246.398	4.514	0	10	BJAE	
CCc1ccccc1OCC1C[C@H](C)C[C@@H](C)C1	2031816120	DKUAIYIXHYIOKW-ZIAGYGMSSA-N	246.394	4.700	0	10	BJAE	
C[C@H]1C[C@@H](C2(N)CCC3(CCC3)CC2)CC[C@H]1C	2032249290	BFSMQNHLZOBVQU-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@H]1NCC12CCC(CC1)C2	2033440713	AYLQWIVOYRZDSM-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1[C@H](C)[C@H]1CC	2033498769	QNKTUZAYENFPLR-MWQQHZPXSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCNC1CC(C2CCCCC2)C1	2033780607	HRCPHDIQKUOTNY-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@H](N[C@H]1CC[C@H](C)CC1)C2	2036664579	LDANCKQLINLHMA-WRQOLXDDSA-N	249.442	4.514	0	10	BJAE	
CN(CCCC1CC1)[C@@H]1CCC2(CCCCC2)C1	2036770070	APHQIVZFKNTOCB-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)[C@@H]1CCC2(CCCC2)C1	2036770616	GDEOYGHGGKHZOW-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)[C@H]1CCC2(CCCC2)C1	2037706951	ZJFVWTQIMRMZPW-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c([C@H](O)[C@H]2CCC[C@@H](C)CC2)c1	2039358878	GFJNMJNLSQQJBQ-ISTRZQFTSA-N	246.394	4.553	0	10	BJAE	
C[C@H]1CC[C@H](CC2(N)CCC(C3CCC3)CC2)C1	2040164844	CETLKSZMJYGZKG-JCAIJIATSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@@]1([C@H]2CCC[C@@H](C)C2)CC=CCC1	2042089776	SYSQLFFHPIBMES-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCC1)CC1CCC=CCC1	2042737074	VIZACPXUNFOSGW-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C[C@H]1C[C@H]2C[C@H]2C1	2045307023	GBWMXQNYTMENLC-FPCVCCKLSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@@H]1C[C@@H]1CC	2045319137	AOBYTGUUDPAYAY-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048360733	OPWVIDKYJULNDO-XUWVNRHRSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@](N)(C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048443914	VMGXGSCDHXDJMJ-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2048465651	MRLJRSSYJFFPEO-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C(=O)C2[C@@H]3CCCCC[C@@H]23)CC1	2049193205	AOELQXLNJDYXFL-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)C1	2049508295	INBMBBURLWDTGS-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@@H]1CCC2(CC2)C1	2049845522	KUEKRZPVEBIFJI-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
N[C@@]1(CC2CCC3(CC2)CC3)CCC=CCCC1	2049847223	AAKWINAGBLTPQX-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@@H]1CCCC2(CC2)C1	2049856268	OCTVRNKFQKUZDV-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCCC(C)=C(C)C)c1ccco1	2050521787	XMOIFUHGPBQIOF-HNNXBMFYSA-N	249.398	4.847	0	10	BJAE	
C[C@@H](NC1CC(C2CCCCC2)C1)C1(C)CCC1	2052350802	BXIRDOXSUBKBOS-IUDNXUCKSA-N	249.442	4.514	0	10	BJAE	
CC(C)NC[C@@]1(CCC2CC2)CCCCC12CC2	2053362320	ZKOXMTGFZQIMOI-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@H]1C=C(C)CC1)C1CCC(C)(C)CC1	2055846921	XNMJOWSKCNVRNR-CVEARBPZSA-N	249.442	4.680	0	10	BJAE	
CC1CCC(C)([C@@H](N)CC2CCC=CCC2)CC1	2056552157	JWSTVEVCEUYGRC-WIHSUSGWSA-N	249.442	4.667	0	10	BJAE	
CCc1cc(Cl)ccc1SC(F)(F)F	2059094351	YIMYASDANNFKTA-UHFFFAOYSA-N	240.677	4.514	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)[C@H]2CCCC2(C)C)CC1	2061090012	XPNUTDTXOMAARC-BMFZPTHFSA-N	249.442	4.523	0	10	BJAE	
C1CCCCC(NC2CC(=C3CC3)C2)CCCC1	2061219226	GDEFCHLSECZUNF-UHFFFAOYSA-N	247.426	4.722	0	10	BJAE	
C1CCCCC(NCC[C@]23CCC[C@H]2C3)CCC1	2061572770	SYZNLDPWUFZJGL-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
O=C(CC[C@@]12CCC[C@@H]1C2)CC1CCCCCC1	2061604842	CECWJKWMCQXKEK-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)C)C1CC(=C2CC2)C1	2061648141	VKIGROXAEMRTBY-GUYCJALGSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC1CC(=C2CC2)C1	2061737019	MUDAPVFDCJDCJD-NVXWUHKLSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CCCCCC23CC3)C1	2062008152	BTDONCSWTBGOCS-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCC[C@@](N)(C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCC1	2063486346	IOFYPDAGVCNONG-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063487919	SODVXMVHFPOPFF-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1CCCCCC[C@H]1CC12CCC(CC1)CC2	2065331946	AHKPQCHVJQGVEV-VUROTCPHSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@]3(C)C[C@H]23)cc1	2065658551	UGWHSJNNUFLMSK-WBQNTZJQSA-N	243.394	4.801	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)c1cccc(C)c1C	2068843597	MKRKJPKTPOCEBC-YOEHRIQHSA-N	247.426	4.636	0	10	BJAE	
CC[C@](N)(CC(C(C)C)C(C)C)c1ccccc1	2069003388	NXRUDHXNLQTWAN-KRWDZBQOSA-N	247.426	4.569	0	10	BJAE	
CCN[C@@H](C[C@H]1CC12CCC2)C1(C)CCCCC1	2069214232	KCDXSWFCPWNFOS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@H]1CC[C@H]2C[C@@H]1C2	2069343840	DGIBLKTYDHFEFN-MJEQTWJJSA-N	241.378	4.555	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H](C)C2CC=CC2)CC1	2070815597	SVKHSNSAHQPMDK-BFYDXBDKSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)C1(CC(=O)C[C@H]2C[C@@H]2C2CC2)CCC1	2071917819	ODYKVVADFPFNSV-DZGCQCFKSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCC1)C1(C(C)(C)C)CCC1	2071932661	HDSNEXCGMIWUQU-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C[C@@H](N)C23CCCC2CCC3)CCC1	2071941216	QYRKHFNNKJZBHT-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)c2cc(C)c(C)o2)CC1	2072793127	HEDOBPAZCJSEKD-KKUMJFAQSA-N	249.398	4.503	0	10	BJAE	
CCC1CCC(CN)(C[C@@]23CCCC[C@H]2C3)CC1	2074031411	YQPRONPNHISOFV-XGHPGWEVSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@H](CC2(CCF)CC2)Nc2ccccc21	2074623336	GXQNLTOYPGGLEC-CHWSQXEVSA-N	247.357	4.504	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@@H]2C=CCCCC2)C1	2075407880	KSLGZNFCIMYMPV-RBSFLKMASA-N	248.410	4.764	0	10	BJAE	
CCC[C@H]1C[C@H]1COc1ccccc1C(C)(C)C	2079807459	AVRJSLTWNKQRNY-KBPBESRZSA-N	246.394	4.799	0	10	BJAE	
CCC[C@H]1C[C@@H]1CN1CCCC12CCCCCC2	2079900820	TZDHGRPVHZDFAV-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCc1cccc(C)c1NC[C@H]1C[C@@H]1C(C)(C)C	2080028792	VQVKWFSSOSZOEF-CABCVRRESA-N	245.410	4.652	0	10	BJAE	
NC1(C2=C[C@H]3CC[C@H]2C3)CCCCCCCCC1	2081598279	YJICPEDXDPKAIZ-GJZGRUSLSA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H]1CCCNC12CCCCC2	2083808880	KEUFFYRIKBGFSK-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@](N)(C[C@@H]2CCC=CCCC2)C1(C)C	2084335417	KFMKVSKWWNBYES-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC1(C)C[C@](N)(C[C@@H]2CCC=CCCC2)C1(C)C	2084335418	KFMKVSKWWNBYES-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C[C@@H]2C=CCCC2)cc(C)c1Cl	2210145771	ZFRVWZBRXCEZNR-CYBMUJFWSA-N	234.770	4.856	0	10	BJAE	
CC(C)CCCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213270859	KDJSOLXXCRRBAA-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCC1)c1scc(C)c1C	2213660572	IQROSRZOOHYGJQ-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CCNCc1cc(C2=CCCCCC2)c(C)s1	2214027782	MMGMYDSRXGMTQC-UHFFFAOYSA-N	249.423	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@H]1CCCCCCCC[C@@H]1O	2215233837	RBQMIAVNHJRNKT-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C(=O)CCCCC(F)F)CC1	2216522334	OVYRLEQQPYYBCD-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CNCC(C)(C)CCCCCCCCC1CC1	2216877101	IGOLMOQGZAQILV-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC1(CN[C@@H](C)CC)CC(C(C)(C)C)C1	2217126054	CAHBCPZZOXDIPD-HLIUYOAVSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CNC1CCC1)C1CCCC1	2217128352	ZIOJZVAWIAPFQH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCC(=O)[C@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218332602	MZBDQQHIMQCOBT-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)CC1=O	2218374168	NHEUBWVQNRLYMM-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218376096	YLQARZTXPASVPN-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
CN(CCCCCCC1CC1)c1ccc(F)cc1	2218733882	YJMXQZOEFBVPQW-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
CN[C@H](CCCCC1CC1)C1CCC2(CC1)CC2	2220043836	FQOADEPNNRKVON-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC1(CNC(C)(C)C)CC=CC1	2220850905	JEWPVLRWXNNKOV-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@](C)(NCC2(C)CC3(CCC3)C2)C1	2221027227	DREPWRGAFQUEQP-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC2CCC2)C=CCCC1	2223543362	YJMRXJQJVWXOHE-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C(=Cc1ccccc1)C[C@H]1CCCc2cccnc21	2226202456	IHGPSWYZEHNEEM-INIZCTEOSA-N	249.357	4.605	0	10	BJAE	
CCC[C@@H](CC)C(=O)CCC1CCCCC1	2244776421	XWGQZCYZVHJZLT-CQSZACIVSA-N	224.388	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@](C)(N)CCC2CC2)C1	2246727477	NHQGRLVSXORQOR-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CCC1(C)C)C1CCCCC1	2247397907	IOAOODYNLRWERG-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@H](N)c2csc(C3CC3)c2)CC1	2248043840	DGOLFSHFCYAOCP-ZDUSSCGKSA-N	249.423	4.596	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@H]2CC23CCC3)c(Cl)c1	2248282588	GCDFTAKUKNNCGE-NWDGAFQWSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H](C)c1ccccc1	2250353496	VLWCXZJHARIZQN-UONOGXRCSA-N	232.367	4.576	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H](CC)CCC	2250354649	FNOBKPQZIJHIBP-FRGIFYTLSA-N	239.447	4.927	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@H]1CC[C@H](CC)CC1	2250357450	IFXCVCXXTUBUBC-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H](CC)CCC	2250365862	JOWUCAPHMNHQQR-HOTGVXAUSA-N	237.431	4.703	0	10	BJAE	
Clc1cccc(NC[C@@]23CCCC[C@@H]2CC3)c1	2251172875	WLIDDHGAGAYOIX-DOMZBBRYSA-N	249.785	4.722	0	10	BJAE	
C=C=CCCc1ccccc1-c1ccccc1	2252636662	ZROXKCWOHUUTSI-UHFFFAOYSA-N	220.315	4.627	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1ccc2ccsc2c1	2253066230	WQOOOKISTMDZNG-FZMZJTMJSA-N	247.407	4.598	0	10	BJAE	
Cc1ccccc1C(=O)C[C@H]1CCCCC12CC2	2253786883	ZFJDLKOGRAZOIP-CQSZACIVSA-N	242.362	4.538	0	10	BJAE	
CCC[C@](N)(CC[C@H]1CCCCC12CC2)C1CC1	2253841055	VHYJJICLQUMJQN-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCC1CC2(CCCC2)C1)CC1CCCC1	2254112868	LOJMCUGNBUIMCL-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCCC1CCC(NC2CC3(CC(C)C3)C2)CC1	2254160822	HIUCZSUWFGTWKG-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)C1(C)CC2(CCC2)C1	2254545275	SKVJIANEVJXWSG-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)CC[C@H]2CCCC23CC3)C1	2255308050	GUTSNGQGCUXFIC-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC1(N)CC2(CCCC2)C1	2257246399	FWIZTUNGZNZRJM-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C)c(OCCCCC[C@H]2C[C@H]2C)c1	2257250515	ZSFMYNTVTXZTEE-CVEARBPZSA-N	246.394	4.899	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@](C)(N)C1CC2(CC2)C1	2257313817	DVIOJAWKIZWGTQ-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](C)c1ccc(CC)cc1	2259466064	YLPONYLFCWVBPE-GOEBONIOSA-N	247.426	4.726	0	10	BJAE	
CC(C)(C)NCC1(C[C@@]23CCCC[C@@H]2CC3)CC1	2260658518	PRVYAGMQLHJWPS-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](CCC1CC1)c1cccc(C2CCCC2)c1	2260661235	DBQGGKKUVAMCLO-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CC(=CC[C@]1(C)CC[C@@H](N)C1)CCCC(C)C	2300880552	NLGUMRZSKVUACV-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)CC1CCCCCC1	2301144319	CJASGQJAPXXYBT-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CCCNCC(CC)(CC)[C@H](C)[C@@H](C)C(C)C	2301839177	HABVFHSRRABYIG-LSDHHAIUSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@@H]1CC(C)(C)[C@@H]1C	2302149621	BOKSRKPMEIWIML-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
c1sc([C@@H]2CCC23CCC3)nc1CCC1CC1	2302265808	XXMFMBVDTOICCQ-ZDUSSCGKSA-N	247.407	4.533	0	10	BJAE	
CC(C)[C@@H](C)[C@](C)(N)CCCC1=CCCCC1	2302321751	ABNNGTUCUHZORY-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)(CCCC1=CCCCC1)CNC	2302361648	PIPVYXFOYLTXCL-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@@H]1CCC(C)(C)C1	2302751085	OUAWQAOHEGBNCW-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@H]2CCC(C)(C)C2)C1	2302754226	WFXUUMBRQCRBNH-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CC[C@H]1CCC(C)(C)C1	2304436155	RFWKCUSGLOZCDK-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]([C@@H](N)CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304438926	ZMKUTPLACUXJEJ-IHRRRGAJSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CC[C@H]2CCCC[C@H]21	2307828117	FNVQWHUQFCCLHC-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C12CCC(CC1)CC2	2307908845	ROOBLSSKPBRRQS-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cc(C)ccc1C	2307919124	CPBRHTKUTGCHIY-AWEZNQCLSA-N	232.367	4.703	0	10	BJAE	
CC1(CN[C@H]2C[C@@H]3CCCC[C@]3(C)C2)CCCC1	2308401358	VHCNUIOAUCUILL-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309171488	NMAYHXRMNAEYMF-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C[C@@H]1CCC[C@@H]2C[C@H]12	2309962636	ZNVWOYRNJSBBCY-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H]1C[C@H]1C1CC1	2311443090	VZRCTRJWCROECC-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](C[C@H]1CCC=CCCC1)NC	2311505267	WJESRHVBFUPMFL-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@]23CCCC[C@@H]2CC3)CC1	2313323324	ZNBKOUHOPCVHAQ-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NC(CC1CC1)CC1CC1	2313606923	XTXGMSRQLFAYGG-DYVFJYSZSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@H]2CC[C@H]21	2315887354	MLNFBKDSHNKYOC-FVQBIDKESA-N	243.394	4.719	0	10	BJAE	
CCC(C)=CC[C@]1(N)CCCCC12CCCCC2	2316542279	NZLUOJDYXUELJD-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCC[C@@](N)(C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CC1	2316880545	XXVAYHRMQDZWIE-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
C1=C(CCCN[C@H]2CCCCC23CC3)CCCC1	2318509323	FEHUMKXKKMPADS-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)c1cc(C)co1	2318589898	VLMHXBMQKCYFNQ-HNNXBMFYSA-N	247.382	4.519	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@H]1[C@@H](C)[C@H]1C	2318598908	URAXSUYQNQAMDX-YALNPMBYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CCCC[C@H]2C2CC2)C1	2319046176	YNZDIVMOKUFWNX-JLJPHGGASA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](N)CC[C@H]2CC[C@H]2C2CC2)CCC1	2319701546	YZSDVRGFLUXCAI-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC[C@H]1CC[C@H]1C1CC1	2319741091	ZTNHPJISPKMCSK-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(O)CCC3(CCC3)C2)CC1	2320327676	MONRFZKTYFFDCB-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCC(C)=C(C)C2)CC1	2320415161	YCROAGFGSLFODW-IKGGRYGDSA-N	249.442	4.824	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)c1cccc(C(C)C)c1	2320515846	HHNJXUFMDHRGHK-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
CCCCCC[C@](C)(CCCC)NCC	32156931	ZAOQCFLACITKQT-AWEZNQCLSA-N	213.409	4.515	0	10	BJAE	
CCCC[C@H](C)N[C@H](CC)c1ccc(C)cc1	37295953	UYSIHLUKEIERAC-GOEBONIOSA-N	233.399	4.614	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H](C)c1ccc(C)cc1C	70105799	MMCLXOIBGIMCDK-GDBMZVCRSA-N	245.410	4.533	0	10	BJAE	
Cc1ccc2cc(C(C)C)c(Cl)nc2c1C	71136922	TVBYJVKTZZTAGO-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
C[C@H]1CCC[C@@H]1Nc1cc(Cl)ccc1Cl	83389575	RBQUUWNDGRHWTP-KWQFWETISA-N	244.165	4.594	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCC[C@H](CC)CC1	83435729	HERSPXUQKAJLBC-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CC[C@@H](C)C[C@@H]2C)c1	85085486	HRAUNXJMAZGGAT-UGFHNGPFSA-N	231.383	4.540	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2C[C@H](C)CC[C@@H]2C)c(C)c1	85098714	PNHDZVGFNUIMMY-PVXIVEMSSA-N	245.410	4.848	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@H](C)CC1	86887880	YEENCRXORQXHGG-XJKSGUPXSA-N	245.410	4.938	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)C1(C)CCCC1	94900994	RFIJZGHWFRICIL-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)(C)C)C1=CCCC1	104001203	WDKPLLRXWUGEAI-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CNC/C(=C/C1CCCCCC1)C1CCCCC1	125531727	GYGLIAVYYDETAE-LGMDPLHJSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](CC(CC)CC)c1ccsc1	128053707	GFOBKSFIWBYFFN-CQSZACIVSA-N	239.428	4.615	0	10	BJAE	
CC(C)[C@H]1[C@H]2CC[C@H]1c1c(Cl)cccc12	145046887	DUMCDDLPJRZSPI-LOWVWBTDSA-N	220.743	4.587	0	10	BJAE	
Cc1cc(C)cc([C@H](C)Nc2ccsc2)c1	148377586	UXBRYXZXCMLHCS-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
CCCCC[C@H]1C[C@@H](CC)CC[C@@H]1CNCC	156040249	XRKAMSZYXWYODN-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)COc1ccc(F)cc1C	163325442	XMFZXIOGWAWICK-CYBMUJFWSA-N	238.346	4.729	0	10	BJAE	
O=C(C1CCCCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	164030623	UWBLOYXSBDXDFT-NUEKZKHPSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1CCCCC1)c1ccccc1C	169127859	HKBLHHBMEWMUAQ-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)c1cccc(C)c1	229293805	QEQRVYMQGGLIAJ-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
CCCCc1ccc(-c2cccc(N)c2C)cc1	232217188	KMFDIFNWZADNNL-UHFFFAOYSA-N	239.362	4.587	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCCC[C@H]1C	251910844	XRZPWCVLIOWLRH-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@H]1CCC[C@@H](CC)C1	253048990	SFCVLGZPMIKLEO-UGUYLWEFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1C[C@H]1N[C@H]1CCC[C@@H](CCC)CC1	300577762	FNVASRUUVPNYMY-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CCCCF)[C@@H](CC)CC(C)C	308055111	BQZVKVLTZQMCBU-GJZGRUSLSA-N	245.426	4.567	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CCCCCC(C)C	308056696	BYVKKUSDTWDEAG-JKSUJKDBSA-N	241.463	4.993	0	10	BJAE	
CC(C)C[C@H](C)Cn1ccc2cc(Cl)ccc21	309990157	JVWGOGVNRGVPEH-LBPRGKRZSA-N	249.785	4.977	0	10	BJAE	
CCN[C@H](C)c1cccc(C2=CC[C@H](C)CC2)c1	310618063	FRMSVAWZYWJJGM-UONOGXRCSA-N	243.394	4.561	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC[C@@H](N)c2ccccc2)C1	310744408	IKWKXNUJZBWBHX-HLLBOEOZSA-N	245.410	4.683	0	10	BJAE	
Cc1cccc(C(=O)CC2CCC(C)CC2)c1F	310762476	MXDXXNRGFLCYMQ-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC)CCC[C@@H](CC)C1	316905645	PMEAXKMUQVCQKB-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC/C=C/c1ccccc1	324195985	VGLFCBFLMAVDNK-UEICXMAYSA-N	246.394	4.667	0	10	BJAE	
Cc1ccc([C@](C)(N)CCCCCC(C)C)cc1	383151298	HPNCOTMHNUTAQJ-QGZVFWFLSA-N	247.426	4.775	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)C1CCCC1	383677253	PSUXQCQOLDKVIJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C[C@@H]1CCC[C@H](C)C1	386856515	UCOZMKKXKIZDKM-APHBMKBZSA-N	245.410	4.520	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)CC(C)(C)C	395004736	HANFEPHRQNSSHJ-ZDUSSCGKSA-N	233.399	4.794	0	10	BJAE	
CCc1cc2c(C)cc(C(F)F)cc2s1	396200752	OWHJBYQQFSWFAQ-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCOc1cc2c(C(F)F)c(C)ccc2s1	396257801	YZKNULIESCQWNT-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1cc2sccc2c(C(F)F)c1F	396260602	ZHEDHLYOZYMANM-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC[C@H](Nc1c(C)cc(C)cc1C)[C@H]1CC1(C)C	397622818	LTAYLPGAYNJSQP-CABCVRRESA-N	245.410	4.848	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@H](C)C1CCC1)CC(C)(C)C	398540750	VZCUYDNLTORRPD-VNHYZAJKSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H]1CCC[C@H](CC)C1	400464604	NJBJMUACFMCLIV-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC(C1CC1)C1CC1	400845437	UPWQVVMRSLYHLH-WFASDCNBSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CC=CCC2)CCC[C@@H]1C	402205567	KQKATZKBQXDZQH-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC(C)C1([C@@H](O)C[C@H](C)CC(C)(C)C)CCC1	686925297	AAHKYMHNEJDPKX-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
CCSc1cccc(N[C@@H](C)[C@H](C)CC)c1	689701904	YNNCLGODFAWHLG-NEPJUHHUSA-N	237.412	4.645	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC[C@H]1C1CC1)C1CCC1	696065789	WVJCPSBRJCWYTF-ULQDDVLXSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCC=C(C)C)CCC1CCCCC1	697756883	UJTUGBMOTXEQFE-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CN[C@@H](C1=CCCCC1)[C@@]1(C)CC[C@@H](C)C1(C)C	699009981	FNRVSGLNZQFBDB-UKPHBRMFSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@H]1C[C@@H]1C(C)(C)C	699756742	KYEFBPDABUAPAC-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)C(=O)c1cccc2ccsc12	701412823	OZJZAQBIBRPVNC-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CC(C)c1ccc([C@@]2(N)CCCCC[C@@H]2C)cc1	704941210	LDJWADMTDYDKCD-WMLDXEAASA-N	245.410	4.564	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)[C@@H](C)CC(C)(C)C	708257427	PQIOJRDPKHZTPM-MELADBBJSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CN)C[C@H](C)CC(C)(C)C	709077209	IRPNLUMTZLTXTR-YCPHGPKFSA-N	239.447	4.604	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C[C@@H](C)C(C)(C)C)CC1	711123394	BTYRUMXFTLAVAI-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CNCCC)C1CCCCC1	711313385	QVRINCPZUGDRAM-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCc1ccc(N[C@@H]2CC(C)(C)CC[C@H]2C)cc1	713056012	BTXFIFBRWBTOSC-CZUORRHYSA-N	245.410	4.876	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCCC[C@H]1C(C)(C)C	713168924	LKBXPLNTHDJVGM-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)C[C@@H]1C[C@@H](c2ccccc2)CCC1=O	713302432	MFNXSYJAOSXJGD-GJZGRUSLSA-N	244.378	4.576	0	10	BJAE	
CC(C)NC/C(=C/[C@]1(C)C[C@H]1C)C1CCCCC1	714593334	DLNAVHIDVFQTBC-VBXBRDHYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]1CC(C)(C)CC[C@H]1CC(CC)CC	717535715	VKNBQKGZWDMWSF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@@H]1CC(C)(C)CC[C@H]1C)c1ccco1	717548198	DEVZXPHRLMIAEH-HZSPNIEDSA-N	249.398	4.535	0	10	BJAE	
CC(C)=C(C)CCC(=O)C(C(C)C)C(C)C	719176375	RZJJUNWFAHYLOV-UHFFFAOYSA-N	224.388	4.620	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC[C@@]12CCC[C@@H]1C2	720991140	GLMXWIVGIDERQF-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](C[C@H]1C[C@H]1CC)NCCC	723093090	DIAJPZFHKQCREK-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccc(C3CC3)cc2)C[C@H]1C	821905869	JIWCWFYJEIGHRQ-PBFPGSCMSA-N	243.394	4.801	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1ccc(C)cc1F	1620889924	PBDWBVOFHFLYML-KGLIPLIRSA-N	247.357	4.538	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCC=Cc1ccccc1	1877171545	ZQJWNJZGMXIJJB-WBVHZDCISA-N	245.410	4.504	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H](CC)CC(C)C	1905453916	NOCPAQBAXMHYID-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
CC(C)C(O)(C1CCCCC1)C1CCCCC1	1906905009	REJFALMVSYCACI-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
O=C(CCC1=CCCCC1)C1CC2(CCCC2)C1	1912626950	ALWWCTFJVKPYSV-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)CCC2(CCCCC2)C1	1915923403	KMKATIGWWKCTRE-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1N[C@@H]1CCC2(CCCC2)C1	1916406798	UWRZOFCPYJFNQY-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@@](C)(N)C1CCC(C)CC1	1920193463	JTZBSTCSLOZAPL-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C2CC(C(C)C)C2)cc1	1921164790	ZBHSTHQPNJMHHE-OFLPRAFFSA-N	246.394	4.526	0	10	BJAE	
CCCC1CC(CN[C@H]2CCC3(CCCC3)C2)C1	1921230099	QVCNQBWEDYCMNV-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC1C[C@H]2CCC[C@H](C1)C2)C1CCCCC1	1923477993	AOLOXANOGANTRR-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CC[C@H](O)CCCCCC1CC1	1936413261	RGCYGOPJIWINHS-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1csc2ccccc12	1941263210	NJSNJHZFAPSQEU-ABAIWWIYSA-N	247.407	4.583	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(C2CC2)cc1	1941567014	NFMNPRRASXGIIV-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CCCCC[C@H](CC(C)(C)C(F)F)NCCC	1941594849	LSQJBMPFVWEMNU-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944202116	HOZXKADOLNXUPV-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)C[C@H]1CCC[C@H](C)C1	1947514153	CQQUTNBCQZWOJN-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)C1CCCCCCC1	1947558496	JZZKTVDSRFBZQB-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCC[C@@H](NC[C@H]1C=CCCC1)c1cccs1	1947585016	IAJAPGLMUHHIFY-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
O[C@@H](CC1=CCCCCC1)CC1CCCCC1	1949920778	GFJFAVFZKXZHET-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C=C1CCC[C@@H](CCN)C1)CC(C)(C)C	1950512243	FSOVGJYQUBUDEZ-KGLIPLIRSA-N	237.431	4.524	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN2CCCC23CCCC3)C1	1963124326	WVQUXSDSAMYSSZ-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(C)c(NC2CC(C)(C)C(C)(C)C2)c1	1968230758	VMCVASNXTFSHIZ-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1CCCC2(CC2)C1	1968270397	KLBDGPJARKXLPC-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
CCCCC1CC(Nc2cc(F)ccc2C)C1	1968312275	IQBZPUUZFZFARV-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
Cc1ccc(F)c(NCC2C[C@@H](C)C[C@H](C)C2)c1	1968342469	ZEDLQFSMVNYARP-STQMWFEESA-N	249.373	4.618	0	10	BJAE	
CCC(CC)N(C)Cc1ccc(C(C)(C)C)cc1	1968801688	LWRUKDMTZZLWBX-UHFFFAOYSA-N	247.426	4.605	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@H](C)N[C@H]1CCCC2(CCCCC2)C1	1973864354	VFWKUZYUGCNDEP-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCCC12CCC(CC1)C2	1973945384	IFEMLXWVDCOGMY-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CCCCCC(=O)C1(C)CCC(C)(C)CC1	1983315099	WZMLGUBCHHFJDD-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)(CCC1CC(=C2CC2)C1)C(F)(F)F	1985537442	VUMWRRNXYZBVML-UHFFFAOYSA-N	232.289	4.856	0	10	BJAE	
CCCCC[C@@H](O)CC1CCC(CC)CC1	1989776985	IQMGEDGAKPVFSR-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCCCCc1ccc([C@H](N)CC(C)C)s1	1991773354	ZAOBPTZUIFVSKW-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
CC(F)(F)CCCCOc1cccc(Cl)c1	1993601627	XNRWFZRCWMWNPB-UHFFFAOYSA-N	248.700	4.544	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@@H](C)CC(C)C	1995261200	BWSYHRLJILXTOF-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CC=CCCC[C@@H](N)CC[C@H](C)CCCC	1995264673	WHNOBQFBDVVHIC-HUUCEWRRSA-N	225.420	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H]1c1nc(C2CCCC2)cs1	1995497067	VSMIXQMITXQDRK-ZYHUDNBSSA-N	235.396	4.704	0	10	BJAE	
CCC1(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCCCC1	1995690974	ISIGGUQHYBCEPN-FICVDOATSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](C)C2(C)CCCCC2)C1	1995979283	BHCTWSGIHPEJDB-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@H]1CC[C@@H](C)C1	1996265454	ABAPRIUEZZPUAF-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CCCC2CC2)CC1	1997105789	PJBZNIWKQRTUJG-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)NC[C@H]1CCC[C@H](C)CC1	1997116782	MZYNOOZBWOQTHZ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C)C1CC(C)(C)C1	1998649792	KKCJEWCBMVIMIK-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CCCC(C)(C)C)C1	2000190312	LRDURRHFARXDSE-TZMCWYRMSA-N	236.399	4.764	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1C(C)=CCC[C@H]1C	2000385110	OEYYZDLVTMHTQN-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@H]1CCCCCCC[C@H]1N)C(C)(C)C	2003116211	HMUMGARUBKKOQO-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CC(C)=CC[C@]1(O)CCC[C@H](C(C)(C)C)CC1	2004226901	JUTHGEIRNLINKZ-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCC[C@H]3CC[C@H]32)c1	2004797668	PYHQIEMXPUHTFN-OUCADQQQSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@@H](C(C)(CC)CC)C1	2006624356	PRXNMBXQEGZWDH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)C1CC(C[C@@](C)(N)CCC(C)(C)C)C1	2007746882	NSCCCIXHMYSLAM-XUJLQICISA-N	239.447	4.602	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H]1CCCCC1(C)C	2007853420	LDYVQOJELDZYFD-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CCC2(C)CC2)CC1	2009548884	ROBBKNFLRQSTAE-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)CCC(C)(C)C)CC1	2010715006	JVVXZROHSKXQEL-DZGCQCFKSA-N	237.431	4.523	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)C(CC)(CC)CC)CC1	2010748445	NYYWGXCWQUXVLI-ZFWWWQNUSA-N	237.431	4.667	0	10	BJAE	
CN[C@@H]1C[C@@H](CCCC(C)(C)C)CC(C)(C)C1	2012063261	QYWRIUQJVMZXDT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)NC1CC(CC(C)(C)C)C1	2014657751	ODBJIALFFPHFDV-NFOMZHRRSA-N	239.447	4.760	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)C[C@H](C)C(C)(C)C	2015277576	IAXDQZLLPUXRPJ-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C[C@@H](C)CCNC(C)(C)C)C(C)C	2015410706	WPHFKBWYEHFZQD-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H](C)CC(C)(C)C)CC1	2015748010	WYXNJSUTXXDQEP-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]2C2CCC2)c(Cl)c1	2017042534	JFYOFIXCNXFGSM-TZMCWYRMSA-N	249.785	4.639	0	10	BJAE	
CC=CCCC[C@H](CC[C@H]1C[C@@H]1C)NCCC	2017242274	KHTJNQMDKSWMRN-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCNCC(C)(C)C[C@H]1CC[C@H](CC)CC1	2017721964	CYWILIWMXSOZSN-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](CC=CCCNCC)CC1	2017733497	KVDIOWVPHUVJEQ-WKILWMFISA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)C[C@H]1CC[C@H](CC)CC1	2017773566	CDRAMZKHFLNRHC-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CCC(C(C)C)C(C)C	2017798475	OGYXSHKGVXNQPG-INIZCTEOSA-N	241.463	4.848	0	10	BJAE	
CCCCC[C@@](O)(CC)C1=CC[C@H](CC)CC1	2018131295	SLMRKJTWTXPPDA-HOCLYGCPSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CCCC1(C)CC1	2018186264	ZPJIACDHWOBPMU-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)[C@@H](C)C1(C)CCCCC1	2019387837	YZNCVSCWJFFCBL-ZNMIVQPWSA-N	239.447	4.712	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC[C@H]1CC1(F)F	2019591019	UTMXTNYYGLJREK-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCSC[C@@H](C)Nc1ccccc1C1CCC1	2021028034	KSANFCLNHBWCIR-GFCCVEGCSA-N	249.423	4.508	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)CC1=CCCCC1	2022555510	YBVNKABJCHOPQV-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](O)[C@@H](C)CC1CC(C)(C)CC(C)(C)C1	2024123300	LIPHGTVHASYROT-JSGCOSHPSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C[C@H]1CC(C)(C)CCC1=O)CC(C)(C)C	2024124995	RLAMBBCMYDBGSO-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@](C)(O)CC2CCC2)C1	2024129362	UYMQTDLFNUIEIC-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
c1sc([C@H]2C[C@H]3CC[C@H]2C3)nc1C1CCCC1	2026603769	RZZKUVWLQOLRLT-DRZSPHRISA-N	247.407	4.704	0	10	BJAE	
CC(C)c1ccccc1CCC[C@@H](O)C(C)(C)C	2027466261	ONEPGAOTEYPRQT-MRXNPFEDSA-N	248.410	4.540	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CCC[C@@H]2CC2(C)C)c1	2027843261	PDOOIUCKOOKDID-GDBMZVCRSA-N	246.394	4.553	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC2CC2)CC=CC[C@@H]1C	2027925564	GAIMAEXWLGVRMI-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NCC)c1ccccc1C	2028250812	AQQASUSLVPNABA-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@]1(N)CCCC1CCC1	2028484232	HVIDJQUJCJZKEB-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CCCCCC1CC1)[C@@H]1C[C@H]2CC[C@H]1C2	2028642484	AVRHPDBGAOULEE-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
O[C@]1(CC2CCC=CCC2)CCCC12CCCC2	2028871244	YRSARHVZKQYLBS-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC1CCC=CCC1	2028873361	XYVCVLLDKQMDEC-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@@H](NCC1(C2CCCC2)CC1)C1CCCCC1	2029738024	LUALQMCHJHZLPJ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H](NCC2(C)CCCC2)CC2(CC2)C1	2030288577	PJIWCGFVVUADPR-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C2CCC1([C@@H](N)CCCC1CCC1)CC2	2033437030	LBJIAPBKVCTSAK-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)[C@H]2C(C)C)c(F)c1	2035407636	HMTSOFDUMRGECI-APHBMKBZSA-N	249.373	4.617	0	10	BJAE	
C[C@H]1CC[C@](C)(C(=O)CC2CC3(CC3)C2)C1(C)C	2036751070	VDQCWRGNPGVNCD-BLLLJJGKSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC(C(=O)[C@@H]2CCC3(CCCC3)C2)C1	2037681723	HWGASTCOLZNEPN-WLYUNCDWSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](C)c2[nH]c([C@H](C)CC(C)(C)C)nc21	2038009823	MVZLWSKSSDTTMQ-SDDRHHMPSA-N	248.414	4.950	0	10	BJAE	
C1CCCC(CNC2(C3CC3)CCCC2)CCC1	2042935279	HGFSWKUWNHRXDV-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)CC1[C@@H](C)[C@@H]1C	2043409138	ZWCQBFUKEHTYFR-OFQRWUPVSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@]1(N)CCC2(CCC2)C1)C1CCCCC1	2043612036	LUVLCACNQYCUOC-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCCC1CCN(C[C@H]2CCC=CCCC2)CC1	2045307021	GBEXMUVHKHYJQW-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
Cc1cccc([C@H](N)[C@H]2CCCC(C)(C)C2)c1C	2045380798	HOENRNWKEFWPGK-GOEBONIOSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC[C@H](C2(N)C[C@H]3CCCC[C@@H]3C2)C1	2045385297	OTSLKTDVVUSUMW-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](NC)c2cc(C)ccc2C)CCC1	2045733925	WVZZBLRWMOSJEU-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1CC12CCCC2	2047007031	FQYSGKCBOLHASB-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](C[C@H]1CC12CCCCC2)C1CCCCC1	2047015228	HLGXOILXNVGPSD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@]1(C)C=CCCC1	2049997273	MIPNORPLNZCJLS-IRXDYDNUSA-N	244.378	4.590	0	10	BJAE	
Cc1cccc([C@@H](N)CC[C@@H](C)CC(C)(C)C)c1	2050456671	TVEBYYCPMNGACB-ZBFHGGJFSA-N	247.426	4.847	0	10	BJAE	
CCC1(C)CCC(N)(CC[C@H]2C[C@H]2C2CC2)CC1	2051613056	NYCJEGCPWZIPSL-JUVOFCAFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](c2ccc(C(C)C)cc2)C1	2055140245	VZPCBUWLMFSLNA-XJKSGUPXSA-N	244.378	4.673	0	10	BJAE	
CCN[C@H](C=C1CCCC1)C1(C)C(C)(C)C1(C)C	2056869960	GKXNYYDMURNKDB-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1[C@H]2CC[C@@H](C2)C[C@H]1NCCC	2059246364	BNSADIROWZOEKJ-DZVWSGNESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C(C2(N)CCC3(CCC3)CC2)CC1	2061120459	XRGDHOMTGRAFNF-CQSZACIVSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC=C([C@@H](N)C(C)(C)C2CCCC2)CC1	2061143806	MLPCLPSODPASDB-OAHLLOKOSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@@H]1C[C@H](CCC)CC[C@@H]1NCCC	2061561361	QYAWKVFUCQUAEF-ZACQAIPSSA-N	249.442	4.692	0	10	BJAE	
CC1(C)CCC[C@H](NCC[C@@]23CCC[C@@H]2C3)CC1	2061576082	ZVARZPLMPQBZKX-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(OCC[C@]23CCC[C@@H]2C3)cc1	2061595519	HHTFJDMPVNGTSE-WBVHZDCISA-N	244.378	4.769	0	10	BJAE	
CCCN[C@H](CCC1CC(=C2CCC2)C1)C(C)C	2061738550	DEPPGQGFCJPFTR-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@H](N[C@@H]2CCCCCC23CC3)CCCCC1	2062017672	AXGWXEKFLIVGOT-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CC[C@H](N[C@H]1CCCCCC12CC2)C1CCCC1	2062019572	JGSZCXCELCHRMK-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)C=CCC2(CCC2)C1	2063685208	UHZQQQHTLDZNTE-QGZVFWFLSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2CC(=O)CC3(CCC3)C2)C1	2063720759	LCIHVFTZYGENMS-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CC3(C2)CC3(C)C)CC1	2064110058	XCODZGZQVSHTJS-JPQBHMHHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](NCCC1CCCCCC1)C1CC2(CC2)C1	2064501312	JMCMOWLLDNHQAG-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C(=O)CC12CCC(CC1)CC2)C1CCCC1	2065277817	RQPOPXOPRLXIES-TUBUQKNSSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](NC(C1CCC1)C1CCC1)C1(C)CCCC1	2067520089	LIWFFXJSUPAUDS-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@H](C)[C@@H]1CCC1(C)C)c1ccccc1	2068286373	FFIDSYIKESECQO-VNQPRFMTSA-N	245.410	4.552	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC1C[C@H]2CC[C@@H]2C1	2068704706	QZWNJWWYMKQSMX-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
Cc1cccc([C@@H](N)CC(C(C)C)C(C)C)c1C	2068816687	BXWGPIKXIVERPU-KRWDZBQOSA-N	247.426	4.622	0	10	BJAE	
CCCC1(C[C@]2(N)CCCC[C@@H]2C2CC2)CCC1	2069344784	OCXAABWOBDPQSA-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](C1CCCCC1)n1cc(C2CCCC2)cn1	2070203140	LJXNOINTZGNPMG-ZDUSSCGKSA-N	246.398	4.682	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CC[C@H]1C1CC1	2071835341	ZPRIUGRGWDNCKQ-IKGGRYGDSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@](N)(CC1CC2(C1)CC21CC1)C(C)(C)C	2072226369	FXFMEMHMHLIUSG-QWFMPGPPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(N)CCC[C@@H](C3CC3)C2)CC1	2072794615	WHGOZMAHZNFPJT-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CNc2cccc(F)c2)CC1	2072795543	FPUGKIKDMSPCIC-HDJSIYSDSA-N	249.373	4.844	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@H]2CC[C@H](CC)CC2)C1	2072821959	PUYPCPPPDJWANQ-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCCc2ccoc21	2073340328	LQIQSHXUQQQENF-HUUCEWRRSA-N	249.398	4.606	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@H]1CCCC12CC2	2074634283	OQAZWTYQDJNJTL-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCCCN(C)Cc1ccccc1C(C)(C)C	2075224443	XIRBEJWUWDEBHC-UHFFFAOYSA-N	247.426	4.606	0	10	BJAE	
CCCCN(C1CCCCCC1)[C@H]1C[C@@H]2C[C@@H]2C1	2076548046	ZVDWTRAJLPBIIN-SCAQPMJSSA-N	249.442	4.610	0	10	BJAE	
CCCCc1ccc(C2(O)CCCCCC2)cc1	2077920980	RDYGLNKALCEBCI-UHFFFAOYSA-N	246.394	4.571	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H]2C[C@@H]2C2CC2)CC1	2079331145	BZCRECIKEVVKOE-AHNOJICISA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C=C1CCC1)C1(CC(C)C)CCCC1	2080254179	BGNDATNVWPBTNJ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C(=C/c1ccccc1)\C[C@@H]1C[C@H]2CC[C@H]1C2	2210662159	KEYTZPFQDYLKPO-GUJPZIPKSA-N	212.336	4.526	0	10	BJAE	
Cc1sc([C@H](O)CCCC(C)C)c(C)c1C	2211703042	WEPJXQVREUHLHU-CYBMUJFWSA-N	240.412	4.533	0	10	BJAE	
CCN[C@H](CCCCCCCC1CC1)C(C)C	2213576885	VQTVRDDWQGASHS-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
Cc1csc(C(=O)CCC2=CCCCC2)c1C	2213655788	PYYCBPZVTORVKW-UHFFFAOYSA-N	248.391	4.828	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)CCCCCC1(C)C	2215244407	GUCZROMWWBZEMS-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1C)C(CC)(CC)CC	2215264179	BSQKVTSTMUTMKG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CC1(C)CC(C)(C)C1	2215378663	PTPGCDGUSDOOGT-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)CC1(C)CC(C)(C)C1	2215397833	GXWABTGAWNWDCJ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CN)CC=C(C)CC1	2215827272	UTZWWCSBDFHGHI-JKSUJKDBSA-N	237.431	4.668	0	10	BJAE	
CC=CCCC[C@@]1(O)CCC[C@H](C(C)(C)C)C1	2216255712	FCJQAQGOIDJBLC-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
N[C@H]1CCCCC1=CCCCCCCC1CC1	2216880018	PUANXYXAKGUVFO-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC[C@](C)(CNC1CCC1)C1CCCCC1	2217141195	RTVOTZGSPOVQLQ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCO[C@H]1C[C@@H](CC=Cc2ccccc2)C1(C)C	2219077713	FYIPGYJXVQFBGP-CVEARBPZSA-N	244.378	4.541	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)C/C=C/c1ccccc1	2219088293	PNDFBQGYTBOJSP-BZYXRLQRSA-N	245.410	4.634	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C1(C)CC=CC1	2220047621	SKFGOXPXVXIOJQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CC2(C)CC3(CCC3)C2)[C@@H](C)C1	2221084197	REOQDQXGQLERRV-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@]1(C)CC=C(C)CC1	2221631399	NBIFHAAAWZMMPX-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@@H]2C=CCCCCC2)CC1	2221638851	VCAVUEMGUMSAPZ-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C[C@H]2C=CCCC2)C1	2222253389	ZICCBHGTNVAACF-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C)n1C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222955552	USXBQHBBAVTRFS-IXDOHACOSA-N	245.410	4.711	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)C1CC2(CC2)C1	2223119609	FZZIYHLGIIDGFF-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CC[C@@H](C)CCCC(C)C	2244844973	JLORRYAUMRUISO-ZNMIVQPWSA-N	227.436	4.602	0	10	BJAE	
Cc1cscc1C(=O)C[C@H]1CCCCC12CC2	2246613408	AKYJMPXEYQOJFO-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
C[C@@H]([C@H](O)c1cc2ccccc2s1)C(C)(C)C	2246954850	DWKLKTWHLXCWJE-HZMBPMFUSA-N	248.391	4.617	0	10	BJAE	
CCC[C@](N)(CCCC[C@H]1C[C@@H]1C)C1CCC1	2247161638	CMBVPJMVMIPULK-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@@H]1CCC12CCC2	2247438050	DFMPIWWSFFWPBB-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
C1=C(Cc2ccc3ccccc3c2)CCCC1	2247512627	KJIZVVAURQIWKW-UHFFFAOYSA-N	222.331	4.883	0	10	BJAE	
CCC[C@](C)(CCCCC[C@H]1C[C@@H]1C)CNC	2248854284	OEJMSJOTRLRKFN-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1C[C@@H]1C1CCCC1	2250353648	WTHMSUWYOWDLGS-AEGPPILISA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC[C@H]1CC1(C)C)NC	2250355026	IZNOQMWPNKPBNU-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@](F)(CCN)CC[C@@H](C)CCCC(C)C	2250480701	HQQMBHSVYDICPI-LSDHHAIUSA-N	245.426	4.696	0	10	BJAE	
CCC1(NCC[C@H](C)CCCC(C)C)CCC1	2250527739	KEADBUWHBWHGDF-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC1CC(CC[C@H](N)CCC2CCCCC2)C1	2251750915	MPIUMSUIGJHMFJ-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](NCC[C@@H]1CCCCC12CC2)C1(C)CCC1	2253888575	AHRKOAMBLCCACS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@]23CCCC[C@@H]2C3)C1	2253930115	LVEIWBWIEALHOG-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)c1cc(CNC2CC2)cc(C(C)C)c1	2254727329	VVPZKNWIANKIAI-CYBMUJFWSA-N	245.410	4.576	0	10	BJAE	
CC1(C)CCCC[C@H]1NCC[C@@H]1CCCC12CC2	2255231948	DNSQBZYSISPMNB-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC[C@H]1CCCC12CC2	2255252504	AUVKRFYIDORJHK-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CC1(C)C[C@]1(C)CNc1cc(C2CC2)ccc1F	2259127159	FSCPFLZIEGIQOH-MRXNPFEDSA-N	247.357	4.551	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@]23CCC[C@@H]2CC3)CC1	2260648011	QPJUIEQJVRDDMN-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](C[C@H]2CCC[C@@H](CC)C2)N1	2300186061	XDDIUHKVBZFNJN-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@@H](C)C1CCCC1	2300683712	MNDNFIWADRIZJW-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CCC[C@H](C)[C@@H]1C	2300688067	JQKWMHDLRQJRBU-OFQRWUPVSA-N	239.447	4.569	0	10	BJAE	
CC(=CCN[C@H]1CCC[C@H]1C)CCCC(C)C	2300865095	JFUCMWBSSMXUJW-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)CCCCC[C@H]1C[C@H]1C	2301916343	BOVDUIFBLKPRJR-FXUDXRNXSA-N	240.431	4.636	0	10	BJAE	
CCC(F)(F)CCC(=O)CCC1=CCCCC1	2301921829	RYLIPJLYOGPGPV-UHFFFAOYSA-N	244.325	4.662	0	10	BJAE	
CC(C)CCCc1ccc2ccc(Cl)cc2n1	2302229085	PAMDINYINSPZCH-UHFFFAOYSA-N	247.769	4.867	0	10	BJAE	
CCC[C@@](N)(CCCC1=CCCCC1)C1CC1	2302329426	SJZBZFCZSHWMFK-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]([C@H](O)CCCC1=CCCCC1)C(C)(C)C	2302360900	GRWKCKBABWOVHF-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@H]1CCC(C)(C)C1	2302891893	GVRJXEUJCLDEGO-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303471425	LWUFADKSDLSMQG-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)CNC[C@@H]1CCC(C)=C(C)C1	2303597973	XADHBWIFMCSTCL-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@@](N)(CC)[C@@H](CC1CC1)C1CC1	2303845183	LXLUDVVOSIAZCB-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
c1sc(CC2CCCC2)nc1[C@H]1CC12CCC2	2304508712	QUWIUVYMESXFBW-GFCCVEGCSA-N	247.407	4.533	0	10	BJAE	
c1sc(C2CCCCC2)nc1[C@]12CCC[C@@H]1C2	2307695340	PSBVGGFIHQVSJN-DOMZBBRYSA-N	247.407	4.632	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)C1CCC(C)CC1	2307818041	WOEZXKWVQCXWCE-GRAKBVBRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1CCC2(CC1)CC2	2307835561	RJJWUPPIPULWJP-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(C)(C)CC[C@@H]1O	2307896775	XNAVFWYOGUPMQZ-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CC(=O)C(C)(C)C1CCCC1	2307904895	VDEMPZDGCKHANT-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
C[C@@H](N[C@H]1C[C@@H]2CCCC[C@]2(C)C1)C1CCCC1	2308400146	JOBXYLIUTDTUKW-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H](CCC[C@H]2C[C@H]2C)c2ccccc2N1	2310434677	YYXGBPNELIQYGP-CBBWQLFWSA-N	243.394	4.801	0	10	BJAE	
CCC(CC)CCC[C@@H](CNC)c1ccccc1	2316267903	CIAAOTIQIQJNQX-KRWDZBQOSA-N	247.426	4.596	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1C[C@H]2CCCCCC[C@H]21	2316534722	CIQWTHMKDJMMES-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@H]1C[C@H]2CCC[C@H]1CC2	2316701515	OQDURSLLEZNNIB-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@@]12CCCC[C@H]1C2	2316873408	GNYAOHKUIHZBJP-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1CCC2(CC2)C1	2318509553	GATBADNOVZCCCP-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
CN[C@@H]1CCC[C@H](C)[C@H]1CCCC1=CCCCC1	2318573873	XCRGBNRJPXLTDT-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CNCCCC1=CCCCC1	2318597031	GKHYVEOOHHTGPA-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC(C)(C)C1)C1CC=CC1	2319031743	ULGWZXDPEVJCQK-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC2(N)C3CCCC2CCC3)C1	2319034718	PLSHMGHFIPGQAM-DPGVGJJJSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C[C@H]2CC[C@@H]2C2CC2)CC1	2319499406	COBOEHKMOHIQOD-GKLJAUDBSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CNCCC1=CCCCC1	2320160447	MAXFDUUGRMIRNM-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2320415093	XKORXTRHLWGTAX-LJIGWXMPSA-N	246.394	4.518	0	10	BJAE	
CN[C@H](CC[C@H]1CCC(C)(C)C1)[C@]1(C)C=CCC1	2321602015	DBGIHRGMEGSTRN-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C[C@@H]2C[C@H]2C2CC2)C1	2321618319	CKXCAOVSJQOVLV-XPKDYRNWSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cc(C)ccc1C(C)C	2327704888	ZOOHZNGRTLFNSI-MRXNPFEDSA-N	248.410	4.978	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ncccc1C(C)C	2328101000	GKOFCHQYBSWFKF-ZDUSSCGKSA-N	247.382	4.604	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CCC)c1ccccc1	2328281159	FWSGATSBPRYXJZ-RDJZCZTQSA-N	247.426	4.857	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c(C)c1	21009430	YKLCSJLLLIKIIM-UKRRQHHQSA-N	245.410	4.930	0	10	BJAE	
C[C@H]1CCC[C@H](C)C1Nc1ccc(Cl)cc1	21043121	UAHDIOSUMQONME-QWRGUYRKSA-N	237.774	4.577	0	10	BJAE	
Cc1cc(C)cc(Nc2cccc3cccnc23)c1	34764828	HBTXKDIMXDEISA-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	34995611	XUXVYOVPLUKOSX-ZHCJQAHYSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(-c2ccc(C(=O)C(C)C)s2)c1	36927445	ARENQBOMTBWFQR-UHFFFAOYSA-N	244.359	4.562	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)c1ccc(C)cc1C	69377134	ZKKAHTASYXDBSL-JKSUJKDBSA-N	247.426	4.923	0	10	BJAE	
CCC[C@@H](NCC(CC)CC)c1cccs1	71105516	SFLUCFGKWYOUDU-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@@H]1CCC[C@H](C2CC2)C1	81632651	SJUUAIZRYRUGRY-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CSc1ccc([C@H](C)Nc2ccsc2)cc1	85528948	QHIWSBIOOBBMBL-JTQLQIEISA-N	249.404	4.643	0	10	BJAE	
CCCN[C@H](CCC)C1CCC(CCC)CC1	87964655	HPEHIZMABSJITR-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)c2cc(C)c(C)cc2C)C1	88010710	GOGMZYQEIYWUMD-CABCVRRESA-N	244.378	4.621	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCCCC[C@@H]1C	88512479	NHIMAADTTSKLLL-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
Fc1ccc(-c2ccc(C(F)(F)F)cc2)cc1	112732003	VBYPCJIAVPFBDO-UHFFFAOYSA-N	240.199	4.512	0	10	BJAE	
CC(C)CCC[C@H](O)CCC1CCCCC1	124268400	KVDWTPLNASXKIG-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
Cc1cc(Cl)cc([C@@H](O)CCCC(C)C)c1	124282568	ZTXNVRZTBHTZOP-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
CC[C@H]1CC[C@@H](c2nc(C(C)(C)C)cs2)C1	131910879	XLEQEBOOVADYGW-WDEREUQCSA-N	237.412	4.734	0	10	BJAE	
CCN[C@@H](CCC(C)C)c1coc2ccccc12	135412339	CQTGSLDJXNGBJE-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H](C)C2CCCCC2)CC1	149411127	HTLVSKJPKOQODG-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H]1C[C@@H](C)CC[C@@H]1CNC(C)(C)C	155996557	CNZWYKHBZHTMQU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1([C@H](O)c2ccc(C3CCC3)cc2)CCCC1	159282818	OUYXJNDWZLEFTK-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1ccc(C(C)(C)C)cc1	162236245	VFKOJHGWZWAQGS-XJKSGUPXSA-N	247.426	4.810	0	10	BJAE	
CCCCCCC(=O)Cc1ccc(C(C)C)cc1	165002786	FYMKAXYGRREERR-UHFFFAOYSA-N	246.394	4.892	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCCC(C)C)C1	165712769	ARYRRCLXWADMBV-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](c1cccc(CCC)c1)[C@H](C)CC	165811823	VFTDAVDVDGFMIM-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CCNC[C@H](CCCC(C)C)c1ccccc1C	166088128	MCPUZMSDFCSFHC-INIZCTEOSA-N	247.426	4.514	0	10	BJAE	
CCCN[C@H](CCC)c1cccc(C2CCC2)c1	169034029	QLUGCBRUCIUHPH-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CCCC[C@@H](CC)C/C=C\CCNC(C)C	211643450	DGLQKSIVNFTSHB-WHLNPGIBSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](C)CC(C)(C)[C@H]1CC[C@@H](C)C[C@@H]1O	222609347	HMMJAJDKVSTQAD-QPSCCSFWSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H](C)CC[C@H]2C)cc1C	227002536	VVWJZBCHPNEXPH-NORZTCDRSA-N	231.383	4.540	0	10	BJAE	
CCCN[C@@H](CCC1CC1)c1cc(C)cc(C)c1	229551692	MONOBZURWGIPAK-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCC1CCC(N[C@H]2CCC23CCCCC3)CC1	230166813	BCVXNSKBVNOATF-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCC23CCCCC3)C1	230174980	GOZUHPJTJYPCLF-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](CC)Nc1c(C)cccc1CC	233288657	UMWFMCXUTKYVTC-CQSZACIVSA-N	219.372	4.548	0	10	BJAE	
CCC[C@H](C)[C@@H](O)C(CC)(CC)c1ccccc1	233339100	SRZXMMPIQNTWNP-GOEBONIOSA-N	248.410	4.542	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1Nc1ccccc1Cl	252218223	YHLDQSLDVDMCCC-NTZNESFSSA-N	237.774	4.577	0	10	BJAE	
C[C@@H](CC(=O)CCCC(C)(C)C)C(C)(C)C	300821453	HDBKTGFYMGEAOS-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@@H](C)CC(C)C	300995825	WHSUYYGJBPFOHJ-NSHDSACASA-N	239.790	4.743	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1sccc1Cl	301015214	ZMCSIYCRFUVOLS-GXSJLCMTSA-N	246.803	4.507	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cccc2ccsc12	302397884	OLWOIMKJCXAFPW-FZMZJTMJSA-N	247.407	4.727	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H](C)C1CCCCC1	302520606	OYLRQZSYBYCXGX-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1/C=C/CCCCC1	306041888	UGSPPDFMJDFEKJ-FCEHDVOZSA-N	237.431	4.824	0	10	BJAE	
CSc1cc2cc(Cl)cc(C)c2s1	306729909	KVRNCYVEACAOGP-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
C[C@@H](CC(C)(C)C)NCC(C)(C)C1=CCCC1	308766952	FKRQOJKOMONIEA-ZDUSSCGKSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC[C@@H](C)C1)CC(C)C	310425749	OZTKFQZAJWXZBX-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1C[C@@H](C)c2ccccc21	311028695	DOVNRBFGHLGZQJ-KEYYUXOJSA-N	245.410	4.649	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1	315163984	LXYKCTYPHKBGKX-VGWMRTNUSA-N	243.394	4.540	0	10	BJAE	
CC(C)=CC[C@]1(CNC(C)(C)C)CC[C@H](C)C1	318029105	PLVFKTAAFZRIDZ-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@]1(CNC(C)C)CC[C@@H](C)C1	318141649	YUZOAVIJCKJILT-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@]1(CNCCC)CC[C@@H](C)C1	318305015	OENBGCDNXBFHMG-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CCCCC1CCC(CN)([C@H](C)C(C)C)CC1	319066813	XXJGXPMTXOVHRM-QQFBHYJXSA-N	239.447	4.604	0	10	BJAE	
CC(C)(C)[C@@H](NC1CCCCCCC1)C1CC1	324000298	NAESRCVYUFSDRT-HNNXBMFYSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)CC2CCCCC2)CC1	328316185	CNIVAURCDFNQGT-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@](C)(CC)C[C@H](C)C1CCCCC1	379919793	QBVSOHJQTMNAMO-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@H](C)[C@H](C)CCCCCC(C)C	383125401	CESQTEKKRTYTBT-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCC[C@H](C)C1	383158898	PTSXLAFMZVZEHB-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](c1cc(C)ccc1C)C1(CC)CC1	384989000	PLLNAPYISVXHPB-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCN[C@@H](c1ccc(C)c(C)c1)[C@H](C)CC(C)C	385341466	XJSFOEFLJGIZAW-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)C1CCC1	386020433	WZGXJAIBAYTARD-CJNGLKHVSA-N	245.410	4.552	0	10	BJAE	
CC[C@H](N[C@@H](C)C1CCCCC1)C1CCCC1	387550627	TXWMKWJLTSHXOB-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CC1(CN[C@H](C2CCC2)C2CC2)CCCCCC1	394620594	XMDSYPRNDYDANT-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCCCCCC(C)C	394765553	PRSLNOWYIHLXLB-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCc1cc(C(F)F)c2sccc2c1CC	396169651	SFKCRCMQSGVJKE-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1cc2c(CC)cc(SC)cc2s1	396172215	WXEHHJAHFCIBMU-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cc(C)c2sc(C(F)(F)F)cc2c1	396297130	FAIXTDOBTWUITN-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CC[C@@H]2C[C@H]2C1)C1CCCCC1	403440638	ZWDGFIQNTCJCMY-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C1(C)CCCCC1	405706883	CXQYJHOMZAECFV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@](CCCC2CCC2)(CNC2CC2)C1	688846444	ROGKPCVQWPKOMX-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](Nc1ccc(C2CCC2)cc1)[C@@H]1CC1(C)C	690100512	XZWOOLZRISWMPI-WBMJQRKESA-N	243.394	4.801	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@H](C)C1CCC1	692761573	UASXTUYDBWJNGS-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1CCCC2(CC2)C1	695688323	HDTLVVFGHBMFKT-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cccc2ccsc12	696269808	YBQGMGIBGRZMQV-CYBMUJFWSA-N	247.407	4.727	0	10	BJAE	
CCC(C)(C)CCNc1cc(F)c(C)cc1F	696800812	XRNXFOJDDOSJRY-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
CCc1cccc(C)c1NC1C[C@H]2CC[C@H](C1)C2	697724539	KNVAZBIPURAJIU-KBPBESRZSA-N	243.394	4.548	0	10	BJAE	
CCCN[C@H](C(C)(C)CC)C1(C)CCCCC1	701117704	FCYWUJXGXAIXFV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C1CC(C)(C)C1)C(C)(CC)CC	701225703	JTFWINIVPUZISO-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@H](COc1ccccc1Cl)CC(C)(C)C	709112355	OOKCVIQLFAWJHS-NSHDSACASA-N	240.774	4.791	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H](C)CC(C)(C)C)C1	709128731	SZDJJMNXJMYKFT-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)CC(C)(C)CC	711182516	JMCNRFNUGRWHIU-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@]1(O)CC(C)(C)CC[C@@H]1C	713022246	FBQPMQMNSAUDDU-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)C[C@@](O)(CC)CC1CCCCC1	713210494	LPVPDZRFHDOESQ-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
C=C/C=C/CCC(=O)c1csc2ccccc12	713675686	VHVQFUQKUHUQOS-ONEGZZNKSA-N	242.343	4.606	0	10	BJAE	
C=C/C=C\CCCc1c(C)cc(C)cc1C	713754179	UQBVRMGJWKLGTD-SREVYHEPSA-N	214.352	4.677	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1CC(C)(C)CC[C@H]1C	717507137	DWJHPVUGZFJDHI-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCNc1cc(F)cc(Cl)c1	718643950	OQOJUNAPTRDSIR-UHFFFAOYSA-N	241.737	4.637	0	10	BJAE	
CCCCCCN(Cc1cccs1)C(C)C	1307432200	VNWLKEFREBRJKU-UHFFFAOYSA-N	239.428	4.539	0	10	BJAE	
CCC(CC)SCc1cccc(F)c1Cl	1458943914	FKGRJSSLOQWPQT-UHFFFAOYSA-N	246.778	4.901	0	10	BJAE	
C/C(=C/Cl)CS[C@@H](C)c1ccccc1	1473021292	AGJKXQMZSHDWRA-IEHMKBBKSA-N	226.772	4.623	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cscc1CC	1902381252	LBZNQIWQIOFNRD-STQMWFEESA-N	237.412	4.691	0	10	BJAE	
CCC[C@](C)(CCC[C@@H]1C[C@@H]1C)CNC(C)C	1908576830	FAISLUUWFROMII-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H]1C[C@H]1CCC	1910865340	IHNCKLWRZZXPHM-PMPSAXMXSA-N	239.447	4.713	0	10	BJAE	
CC[C@H]1CCC[C@H](C=C(CN)C2CCCCC2)C1	1911844314	CRPVFNYFIMXBLO-GJZGRUSLSA-N	249.442	4.668	0	10	BJAE	
CN[C@H](CCCC1CCC1)C1CC2(CCCC2)C1	1912638354	OPYBWVIKDCUINR-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C2CC3(CCCCC3)C2)C1	1912641072	PZBUPMCXGZMBQF-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H]1CCCCCCCCC1=O	1913409536	DGCWCVAHZATDLC-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@]1(CNC(C)(C)C)C=CCCC1	1916569867	VDBHXEWFTANXTC-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@](C)(O)CCC[C@H]1CC1(C)C	1919976621	WTQGTUPSFPPHAW-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](N)(CC[C@@H]2CC2(C)C)C1	1921548402	GHJQHWMROGKWAW-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@]1(N)CCCC12CCCCC2	1921561528	GCUAPWRADUUSBG-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@H]1CCCC12CCC2	1921587347	VREPGUPXWIVPQF-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1CCCC12CCC2)C1CC1	1921604689	KZLMCTGBDGMUDW-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)[C@H](C)C1CCCCC1	1924123696	FANYKYUHHXJJIK-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C=C1[C@@H](CN)CCC12CCC2)CC(C)(C)C	1924938416	CYDDBWIPAMNVFL-ZIAGYGMSSA-N	249.442	4.524	0	10	BJAE	
Cc1cc2ccccc2n1C[C@H]1C=CCCCC1	1925796118	WFAUFNLJOFVMQR-HNNXBMFYSA-N	239.362	4.696	0	10	BJAE	
CCCC1(N[C@H](C)CCC(C)C)CCCC1	1935524084	MRQDBAJSZQGWSZ-CQSZACIVSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H](C)CCC(C)C	1937174093	MTUYNOOOVZKUQU-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)C1(O)CCCCCCCCC1	1938718752	MDZGPGQONRTCET-AWEZNQCLSA-N	226.404	4.678	0	10	BJAE	
CCC(=C[C@@H](C)C1CCCCC1)CNC(C)C	1940182074	RIRGFFKUNSJENR-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC1(CCC[C@H](O)CCC2CCCCC2)CC1	1940875907	YZJYPGMCQPSODC-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](C(CC)CC)[C@@H](CC(C)C)C(C)C	1941267435	RRJMKIQUNVBNKE-HOTGVXAUSA-N	241.463	4.719	0	10	BJAE	
Cc1cccc(C)c1NCCCCCC1CC1	1941576189	GNMZNRANGGJBHC-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CCCC[C@@H](C)N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	1948594628	AJALVYPLHLWWQA-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@](N)(C2=CCCCCCC2)C1	1948951966	PHTZZOCRNMISDB-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CCC(C)(C)C1CC1	1949032971	YRXSZMUMAOLDFF-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@@H](N)CCC[C@H]2CC2(C)C)CCC1	1949054282	LDUXVUCHROSBJB-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](O)(CC1CC2(CCC2)C1)C(C)(C)C	1949851692	YBVSCRQRTUXVSF-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@]1([C@H](C)CC)CCC[C@H](C)CC1	1950920981	ALULQHPRRUBOJC-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(C)c(NC[C@@H]2CCC(C)(C)C2)c(C)c1	1968256989	RTAMMJAIFZZIFF-OAHLLOKOSA-N	245.410	4.850	0	10	BJAE	
CC[C@H](Nc1cccc(F)c1)C1CCCCC1	1968262528	MAJWDYRJMFYSKF-HNNXBMFYSA-N	235.346	4.597	0	10	BJAE	
CCCc1ccc(N[C@H](C)CCC2CC2)cc1	1968408840	ZJLMBJUBRPTYHJ-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)C(C)C	1968597495	MOAZREPABSPNFU-CYBMUJFWSA-N	219.372	4.575	0	10	BJAE	
C[C@@H]1CC(NC2CC3(CCCCC3)C2)C[C@@H](C)C1	1972429894	JGRRMFCGALCOSY-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C(=O)c2c(C)csc2C)CCC1	1978428461	LUYCUPOTSLMYCE-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCC[C@H](C)CC1	1984591230	MIMJWGHUJRZDEH-PUWCWTCHSA-N	222.372	4.518	0	10	BJAE	
CCCC1CCC(C[C@](C)(O)CCC)CC1	1989773029	XACNYPLDAKDIJZ-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1C=CCCCC1	1990969493	SULDEPXKZZQTTK-ZDUSSCGKSA-N	235.758	4.559	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cccc(C)c1Cl	1994170529	FERWGUJXUBNHCS-NSHDSACASA-N	238.758	4.657	0	10	BJAE	
CCCCCC(C)(C)CNC[C@H]1CC[C@H](C)C1	1996223461	SFNFUWUZWVZWLP-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C2CCCCC2)CC1	1996593610	HKUFHKIMQDBQDN-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)NC[C@H]1CCC=CCCC1	1999996175	MFTDAGBYSJODHF-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)C1(C)CCCCCC1	2000213354	HRUKJJNKNZHQJM-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[C@@H]1C=CCC1	2000501376	DTTWLFWTKQOLSJ-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)C1CC(C)C1	2000517572	FQAIWOQWRAODBE-XUJLQICISA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(=O)[C@@H]1CCCCC12CCCCC2	2001562680	ZUNDYADFYVCTHR-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](O)CCC[C@]1(C)CCCCC1(F)F	2002577454	UPQLJZGDMGMBJH-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CCC2CCCC2)C1	2002997168	APVQYKFNATYONA-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@](C)(N)[C@H]2CCC[C@H](C)C2)CCC1	2003017385	RVNFOFGXYWHVDI-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@]1(C)C=CCCC1	2003320945	LFYHRVYNEVKUBI-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CC(CC2CC2)C1	2003490919	IDMXIVMRYWFHFQ-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCN(C)[C@H](C)C1CCC(C)(C)CC1	2004160554	OIVSVZASYQBYLE-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CCCC(CCC)CNCCC[C@H]1CC1(C)C	2004705589	IKOZNAGHMISZIA-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](NC1CCCCCCCCC1)C(F)F	2009026860	UFRQDEUFOFMGLA-CYBMUJFWSA-N	247.373	4.513	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCC[C@H](CCC)CC1	2009572757	OJNSYTXVAOCCHO-TVKHYIBRSA-N	237.431	4.811	0	10	BJAE	
CC=CCCCc1ccc(F)cc1C(F)(F)F	2009589830	PLCAIBNUVQDNQQ-UHFFFAOYSA-N	246.247	4.743	0	10	BJAE	
CC=CCCC[C@]1(CNC(C)C)CC[C@@H](C)C1	2009619924	POMWODYISWWVOH-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC1CC(NCC2(C)CCCCCC2)C1	2009713629	CTXGRSQWORJBEN-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCc1cccc(CC2CC(=C3CCC3)C2)c1	2011086578	DXNVHGMEVHRQFE-UHFFFAOYSA-N	226.363	4.682	0	10	BJAE	
CCNC[C@](CC)(C[C@H](C)CC(C)C)C(C)C	2012418141	ZMTRHBKGQFHKCG-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C)C2(C)CCCC2)C1	2014338257	NSICIUDQHDIOJK-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(CC[C@H]1CCCC[C@H](N)C1)C(C)C	2015345788	WTWHSJQYYBSXRJ-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C[C@H](C)CCNC(C)(C)C)C(C)C	2015410707	WPHFKBWYEHFZQD-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CCc1ccc(NC[C@]23CCC[C@@H]2C3)cc1Cl	2016322454	BGNKKXPNIRCFPT-IUODEOHRSA-N	249.785	4.505	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)C[C@@H]1C[C@@H]1C	2016848549	PWMXISBXFYLZJI-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)C(C)=C(C)C	2017476649	ZGZGPWJFLDTIQH-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C[C@@](O)(CC)CC2CC2)CC1	2017647418	FMHSIKHZQGEGRL-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](O)CC1CCC(CC)CC1	2017648096	KIPLTSDBJOSQHW-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(C[C@H](O)CCCC2CC2)CC1	2017652681	JWCJCJPUAJVSFD-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@@H]2CCCC[C@H](N)C2)CC1	2017738482	VAOCOIVFCVGRDQ-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CC(=O)CCC(F)F)CC1	2017770582	IXGGRWJNQBWGJX-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(O)CC[C@H]2CC)CC1	2017777593	FULPZXMYOKDBHU-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CCC[C@H]1CC1(C)C	2017789013	XKARCVTXYVUOAY-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cc(C)ccc1F	2018139863	WSEIQVYOIKXSTJ-CYBMUJFWSA-N	237.362	4.905	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC(C)(C)C[C@@H]2C)CC1	2018975492	PBPIPIRLQZAYJI-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCCN(C1CCCCCC1)C1CCCC1	2020534683	UXNHVKHZVYODKA-UHFFFAOYSA-N	237.431	4.754	0	10	BJAE	
CCCCN(C1CCCC1)[C@@H]1CCC(C)(C)C1	2020537190	JTBRHNFDLJWDPU-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1CCCC[C@H]1C	2020966439	FRWHORRBWUDIIV-KBMXLJTQSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)Nc1ccccc1C1CCC1	2021027161	RCRJRLPKDFPJPA-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1C[C@@H]1C1CCCCCC1	2022345752	GECLKVKAEURPKZ-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CCC[C@@H]2CCCC[C@H]21	2022993474	NATBAGSFZHQQAL-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](C)CC(C)(C)C	2023446673	HYQLFZWAQVQJMM-NSHDSACASA-N	237.362	4.625	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC(C)(C)C[C@@H]1NC	2023610178	GYVLLEYZCUSUHU-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CC1CC1)C[C@@H]1CCCC(C)(C)C1	2024088835	KNFFMNXWIOBLJF-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)CC1CC(C)(C)CC(C)(C)C1	2024092908	WCEAPMOMXVUKHC-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CC[C@@H](C(C)C)C1	2025621970	OXQZCIJIWYIJFD-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2nc(CC3CC3)cs2)C1	2026540893	BHDKJYLNYYYXNL-WCQYABFASA-N	249.423	4.779	0	10	BJAE	
c1oc2cc3c(cc2c1C1CCCC1)CCC3	2026602139	DVCAHYHVDNYZNZ-UHFFFAOYSA-N	226.319	4.579	0	10	BJAE	
CC1(C[C@H]2CCC[C@@H]2CNC2CC2)CCCCC1	2027312547	WSZSZBJPMRSEIT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](O)Cc1ccccc1C(C)C	2027462576	HBKGMVRBNZISIM-INIZCTEOSA-N	248.410	4.684	0	10	BJAE	
CN[C@H](CC1=CCCC1)c1ccccc1C(C)C	2027517889	LVDOQACBGGFIBY-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
Cc1ccc(N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)cc1C	2027793128	KJINJEGIHYGQTQ-TZDHZFECSA-N	245.410	4.786	0	10	BJAE	
CC1(CCCN[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1	2027835140	ZFJJWSDJXOSTEI-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1[C@@H](N)C[C@@H](C)CC(C)C	2027901291	JHSZGXHEYPGRNZ-YOEHRIQHSA-N	247.426	4.711	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)c1ccc(C2CC2)cc1	2029070803	QGYKGJZGSKWEDX-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
C[C@H]1CCC[C@@H]1COc1cccc2ccccc12	2032479223	PXPDHCRTNVTWQD-DZGCQCFKSA-N	240.346	4.655	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNc1cccc(C2(C)CC2)c1	2032509554	JNWMLQMWLPBSGA-KGLIPLIRSA-N	243.394	4.586	0	10	BJAE	
CCCN[C@H](C1=CCCC1)C1CCC(C)(C)CC1	2033809795	BJWOYMORPFGSOQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc2c(c1)CCC2	2035419790	DBBRSUVZJFBDTL-WMLDXEAASA-N	243.394	4.556	0	10	BJAE	
C1=C[C@H](CCc2ccc3c(c2)CCCC3)CCC1	2035561976	YZGZDDXAJFNBBE-HNNXBMFYSA-N	240.390	4.854	0	10	BJAE	
C1CCCCC(NC[C@@H]2[C@H]3CCC[C@H]32)CCCC1	2035886471	QLRUMLIDAIZETA-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](N)C2(C)CCCCCC2)c1C	2037069664	ANYBUMUJZWUAFV-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1cc2ccccc2o1	2037080670	URTXKDVNGHVQOV-HNNXBMFYSA-N	245.366	4.649	0	10	BJAE	
NC1(c2ccoc2)CCCCCCCCCCC1	2037112624	HWMJOVVKYDMKGO-UHFFFAOYSA-N	249.398	4.738	0	10	BJAE	
C[C@H](C[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1)C1CCC1	2037161124	WVDUTTXQHNZLAU-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2CCC23CCC3)CC1	2037400306	YKMYTTQYKLJQBO-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCC[C@@H](C)CC2)c(C)c1	2039376380	RKTZNKGBYALLIL-DOMZBBRYSA-N	244.378	4.703	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cc2cccc(C)c2o1	2040722833	CEKJEEUPUJENTE-HNNXBMFYSA-N	246.350	4.601	0	10	BJAE	
C[C@@H](NCCCC1CCCC1)C1CC2(CCC2)C1	2043546368	HUEJROREYAAVMQ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@H]1CC[C@@H]1C[C@@H]1CCC=CCCC1	2045329980	SHKBASFIJKGUBE-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(F)c(NC[C@@H]2CCC=CCCC2)c1	2045330710	YGIKMPOATGBYSZ-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H]1CCCC[C@@H]1CC	2045807661	VDHZMQQUMGOMKI-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@]1(C)C[C@H]1NC1CC2(CCCCCC2)C1	2046234858	GRJOZGRICVGVNT-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(C2CC2)cn1	2052659204	VLPWVKXQEYVWBJ-ZDUSSCGKSA-N	246.398	4.730	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)[C@@H]1CCCCC12CC2	2053410771	GUASUZCGWJWJIR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@]1(CN)CCCCC12CCC2)C1CCC1	2053417825	GSXRPIQYOKGVMN-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@@H]2C=CCC[C@H]2C)C1	2055568214	SUTPKMKVFWJODZ-LTIDMASMSA-N	249.442	4.536	0	10	BJAE	
CC1(CCCNCC2(C)CCC3(CC2)CC3)CC1	2056534440	PJSYANJCBPLGGL-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC1(CC)CC(NC[C@H]2CC(C)=C[C@H](C)C2)C1	2058865270	KPNCBWHCDMCFSJ-DZGCQCFKSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	2059206308	KVANUIVHVLPQPM-JPSIVZSRSA-N	248.410	4.908	0	10	BJAE	
CCCCC1CC(N(C)C[C@H]2C=CCCCC2)C1	2059483032	KQLNDIXMBFHJSW-GTPINHCMSA-N	249.442	4.633	0	10	BJAE	
CCCC1CC(N[C@@H]2CC(C)(C)CC3(CC3)C2)C1	2059493658	XOWOFXBGZHBVBB-YMAMQOFZSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)[C@H]1CC[C@H](C)C1	2061087826	ILSOXGOVUJGPCY-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1OCC[C@]12CCC[C@H]1C2	2061596244	KXYLLDYHBKRMBY-RDJZCZTQSA-N	244.378	4.598	0	10	BJAE	
CCC1CCC([C@@H](N)CC[C@@]23CCC[C@H]2C3)CC1	2061601508	HXXDTDCSFMPZBM-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc2ccn(CC[C@@]34CCC[C@H]3C4)c2c1	2061602978	QPZICNBJODPGFC-DOTOQJQBSA-N	239.362	4.530	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@@]23CCC[C@@H]2C3)C1	2061608003	UTTCDPWPFGOVRY-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CCC(C)C)C1CC(=C2CCC2)C1	2061733895	HJGIEYDUFAJGAQ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H](C[C@@H](N)C2CCC3(CC2)CC3)C1	2062826316	UYXSGSFYLYVMPS-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
O=C1C[C@@H](CCC2=CCCCC2)CC2(CCC2)C1	2063715646	ULJVDDDWWGNTMR-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)C23CCCC2CCC3)C1	2063812868	KIDXJYQQBPTVKG-QSFKDOLUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C[C@@H](N)CC12CCC(CC1)CC2)C1CC1	2065311592	YZODVLDTKUGQIU-GNHJJJEISA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@]1(CC23CCC(CC2)C3)CCCCCN1	2065312217	GEOZHBIOQHZLMW-JCYILVPMSA-N	249.442	4.515	0	10	BJAE	
CN[C@H]1CCCCC[C@H]1CC12CCC(CC1)CC2	2065335525	QHFJZKWLOYMTSU-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)c1cc(C)c(C)o1	2068906813	CDROBMCJBVRFDV-OAHLLOKOSA-N	249.398	4.684	0	10	BJAE	
Cc1ccccc1C(=O)CCC(C(C)C)C(C)C	2068979460	YITNXYRHMKURQJ-UHFFFAOYSA-N	246.394	4.886	0	10	BJAE	
CCC[C@](N)(CC1CC2(C1)CC21CC1)C(C)(C)C	2072226368	FXFMEMHMHLIUSG-IMRCBTMISA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@]23CCC[C@@H]2C3)CC1	2072680988	CTLXIXCTMJJFMC-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@]23CCC[C@H]2C3)CC1	2072876389	ZUVQKNUIPKZPJP-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@@]23CCCC[C@H]2C3)C1	2074030386	SUZKMPKYSDTAKO-UAGQMJEPSA-N	249.442	4.502	0	10	BJAE	
C1=C[C@@H](N2CCCC23CCCCC3)CCCCC1	2074810680	QNDKMBUTQWXXBX-MRXNPFEDSA-N	247.426	4.674	0	10	BJAE	
CCC[C@](O)(C[C@H](C)C1CCC1)c1ccccc1	2075729318	OKQBKSCRKOAZAL-YOEHRIQHSA-N	246.394	4.501	0	10	BJAE	
CCc1cc(-c2ccc(C(F)F)cc2)ccc1O	2076811396	PJOOWCYCQAXKDM-UHFFFAOYSA-N	248.272	4.559	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@H]2C2CCCCCC2)CCC1	2079817480	DRGBEBJTNGCTSN-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCC1=CCCCC1	2081789607	QCZHGMSHUZCOJS-QGZVFWFLSA-N	249.442	4.992	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)C2=CCCCCC2)c1	2082956376	SITFNVMCFPZRGJ-QGZVFWFLSA-N	244.378	4.536	0	10	BJAE	
C=C=CC[C@@H](CC1CC(C)(C)CC(C)(C)C1)NC	2082984724	CWSOFWUHHSDBCK-HNNXBMFYSA-N	249.442	4.548	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1cccc(C)c1C	2086045100	TWEOWEVHXMAWTR-GUYCJALGSA-N	248.410	4.943	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C1CCCCC1	2214584868	RYLCQGIGBXAKRN-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(N)(CC[C@@H]2C[C@@H]2CC)CC1	2215259179	WDYYWCDDVHTYJF-PWUWZPNHSA-N	237.431	4.501	0	10	BJAE	
CCCN(CCCCCCCC1CC1)C(C)C	2216865982	YIIIFSAQZCWDBM-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC[C@@H](CN[C@H](C)CC)CC1CCC(C)CC1	2217144250	DDCCHBZKDVVQBE-LVDPKSTMSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@@]1(CN[C@H](C)CC)CC=CCC1	2217152869	HXLIZVODPPLOHV-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCCC1(CN[C@H](C)CC)C(C)(C)C1(C)C	2217154285	SJPNODIBJVUBED-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](N[C@@H]2CCC23CCCC3)C1	2218040264	NJQTZVBMGAXTHU-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](CC)(CO)C/C=C/c1ccccc1	2219048288	OFFUEORHUNTZQG-XLNAKTSKSA-N	246.394	4.669	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC=Cc1ccccc1	2219080581	DAXJGYNNTFVHNY-KRWDZBQOSA-N	245.410	4.634	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H]1CCNC2(CCCCC2)C1	2220915471	CDJVEGMQALWNCU-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(CN(C)[C@@H]2CCCC[C@@H]2C)CC1	2221603885	IUCGWFKHFRNJSL-BBWFWOEESA-N	249.442	4.633	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@@]1(C)CC=C(C)CC1	2221629740	GDVIIIJZTWGOLJ-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@]1(C)CC=C(C)CC1	2221642121	BRXZGCPDFFIXDY-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CN(CC1=CCCC1)[C@@H]1CCC[C@H](C(C)(C)C)C1	2222267368	PLGGGIXPQZGIHE-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
O=C(CC1CCC1)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222950237	VQCCFHUQYVOAFS-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@]2([C@H](N)CCCCCCCC3CC3)C[C@H]12	2223110725	QHMCQNGRVSNNAH-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
CCc1nc(C)cn1CCCCCCCC1CC1	2223131805	CBJCKOYMKLUJRM-UHFFFAOYSA-N	248.414	4.505	0	10	BJAE	
CC(C)(C)C[C@@]1(CNC2CCC2)CC12CCCC2	2223544591	DARPSRKZQXAKIN-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C[C@@H]2C=CCCCC2)cc(C)c1F	2246358081	FJUWCTHWEMBAKR-CQSZACIVSA-N	232.342	4.731	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1CCCCCC1	2247176263	NWFYPTBTYJMVSV-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
Cc1sccc1-c1cc(C=O)cc(C(C)C)c1	2247256008	SBRCLQWLKXIQOY-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC[C@@H]1CCCC12CC2	2247619973	QZPNESZHNRXWAX-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC1(N)CCCCCC1	2248805234	FSOFGIKAVVPIAO-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@@H]1CCCNC1	2250470021	VPCQVLUXDVDGBS-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(N)CCC[C@H]1C	2250475730	LRNJBIGKDKCXCX-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CC(=CC[C@@H](C)CCCC(C)C)[C@H](N)C(C)C	2250478465	JIZGWRQGAKYXGB-GOEBONIOSA-N	239.447	4.769	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1(CN)CCCC1	2250519085	VHIVEOOBJOMIOI-OAHLLOKOSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C1CC(CC(C)(C)C)C1	2251536117	QUDCWORYUHKLCR-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
CCC(=O)c1ccccc1SCC1(C)CCC1	2251777828	MCEUZNXKUVOCDQ-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CCCCC12CC2)C1CCC1	2253800047	OKYALBBPGILCDU-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@H](N)CC[C@@H]1CCCCC12CC2	2253821373	ZOUJBCRHGJZQLL-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@@H](N)CC[C@@H]2CCCC23CC3)CC1	2255264888	XBDUYHBUEZKZIW-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCCC12CC2)[C@H]1CC1(C)C	2255334670	ZZKBKOVZPSAZCG-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
COc1ccc(C[C@@H]2C=CCCCC2)c(C)c1C	2256956250	VXEZRHUUZIVTRU-OAHLLOKOSA-N	244.378	4.601	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CC[C@H]1C1CCC1	2257316313	QLHOJJPJOCOKKS-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(NC2[C@@H](C)CCC[C@@H]2C)cc(C)c1C	2258240999	CQISHQHKXNYNGU-RYUDHWBXSA-N	245.410	4.848	0	10	BJAE	
CC1CC2(C1)CC([C@H](N)CC1(C)CCCCC1)C2	2259600996	FHPMFCDXTQOIJB-UKEPKTAJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@@]12CCCC[C@@H]1CC2	2260488956	JSRQRYVYKIZVNF-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@@]12CCC[C@H]1CC2	2260531440	BTVWFGNOJGTVIY-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCC1)C[C@@]12CCCC[C@H]1CC2	2260579864	UFMUNGRUHZHJTP-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CC(C)CCC[C@](C)(O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2300472582	RHFVGLREXNRQFA-QXSJWSMHSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CC[C@](C)(O)C(C(C)C)C(C)C	2300680591	GAHSLRXIGZNEOY-INIZCTEOSA-N	242.447	4.882	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1CC[C@H](C(C)C)C1	2300689598	ZTPILJGZXQGAOL-HOTGVXAUSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCC(C)(C)C[C@@H]1C	2300702280	WUWVXUMJNJCXBW-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CO)CC1CCCCCC1	2301240940	DYRYCDOXXUSDOL-GDBMZVCRSA-N	238.415	4.536	0	10	BJAE	
C[C@@H]1C(C)(C)C[C@@]1(N)CCCCCCC1CC1	2302127120	IFLKRZYNSQWTHQ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C1=C(CCCN2CCCCCCC2)CCCC1	2302359200	OKDNZQCQHYXBIP-UHFFFAOYSA-N	235.415	4.533	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@H](C)C(C)(C)C)CC1	2303524625	SIPNGTHEWHATTO-ZNMIVQPWSA-N	237.431	4.523	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@](C)(O)CC(C)(C)C)CC1	2303528268	ZSSYELCCZLUMGD-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CC[C@@H]1CCC(C)(C)C1	2304399685	OXMOQXRBDOKEGS-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CC[C@H]2CCC(C)(C)C2)C1	2304433345	BBQRICWXCMSBBH-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@@H]1CCC[C@@H](C)C1	2306835170	PQTWUAIIEIPOGJ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(NCC2CCCC2)c1F	2307560284	ASNATGDTFGBIGW-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
O=C(CC1CCCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309181071	QSAMSUAECOJTQO-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C[C@@]23CCC[C@@H]2C3)C1	2312543785	GNOLNKKZMBSCAL-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)C[C@@]23CCC[C@@H]2C3)C1	2312670302	MWFJYWVSQDADPC-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN1CC[C@H]2CC[C@H]1C2)CCCC(C)C	2316511211	ZBJRPHQPWJWXNF-SJORKVTESA-N	249.442	4.633	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@H]1CCCCC12CC2	2316541784	JSUIOBPEHOLZDX-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1N)CCCC(C)C	2316553947	FHPZECIUMSMCGH-QAETUUGQSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@@](N)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316872174	HLQUHHZNWHZJFR-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317159848	XNNQTXZHCHZWFM-JZAWBGDQSA-N	249.442	4.523	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@H](C)CC(C)C	2317572129	DKUCMCSMQWBVQX-GFCCVEGCSA-N	247.357	4.771	0	10	BJAE	
C[C@H]1[C@H](NC2CCC3(CCCC3)CC2)CC1(C)C	2318250988	IOBDJQJZKJFVCR-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCc1ccc(N2CCCCC2)cc1	2318387993	VJWWBRQCVGZTJW-UHFFFAOYSA-N	245.410	4.656	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)C[C@@H]2CCCC[C@@H]21	2318552063	VDLXOWYJHKFLDS-ULQDDVLXSA-N	247.426	4.565	0	10	BJAE	
N[C@H](CCCCCC1CC1)C[C@@H]1CC[C@@H]1C1CC1	2319549754	IKQQKRWAFHWGCX-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CCCC(C)(C)CC2)CC1	2320237817	OBTHUXCTCXETOE-JKSUJKDBSA-N	249.442	4.824	0	10	BJAE	
CCc1cccc(NC[C@@H]2CC[C@H]2C(C)(C)C)c1	2320254969	LPDSTRFTLLUDGJ-GOEBONIOSA-N	245.410	4.733	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC1(N)CC2(CCCC2)C1	2320257575	WCVYLAAFKWGJBD-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CC(C)(C)CC[C@H]2C)CC1	2320408086	HKHMZLYPMBQLJO-BMFZPTHFSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCCC2(C)C)CC1	2320421614	CFKCIGDEYOFYDU-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1CC)CC1=CCCCC1	2320434807	ZYXCYXSHYXKJJN-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CCc1cccc(C(C)C)c1)NC	2320639467	KLEYYMOTCFMNDF-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)C[C@@H]3CCCC[C@@H]32)C1	2321646217	VJIRMBSOYGAWAJ-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](N)c2cc(C)ccc2C(C)C)CC1	2327660048	LVKMTDPTBGJFHG-INIZCTEOSA-N	245.410	4.699	0	10	BJAE	
Cc1cc(C)c([C@H](C)NC2CCCCC2)cc1C	20001197	OPQUSEGMYXTIHF-HNNXBMFYSA-N	245.410	4.595	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1NC1CCCCC1	20546140	HJQOBIXGEVVBTG-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC(C)CNc1ccccc1SC1CCCC1	37123456	XKBFNUWTNNQFMY-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CCC[C@H](N[C@@H](CC)C(C)C)c1cccs1	49541655	AMNIGKSCENTKPR-STQMWFEESA-N	239.428	4.614	0	10	BJAE	
CC[C@@H](C)CN[C@H](C)c1ccc2ccccc2c1	54467260	CTWABUBODYGZRH-ZIAGYGMSSA-N	241.378	4.537	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)c1ccsc1	71085210	QWOAKRSYKRALHR-JSGCOSHPSA-N	239.428	4.615	0	10	BJAE	
C[C@H]1CC(Nc2ccccc2Cl)C[C@H](C)C1	82829419	DGWWHWKJXIIXPF-GHMZBOCLSA-N	237.774	4.577	0	10	BJAE	
CCCN[C@H](C1CCC(CC)CC1)C(C)(C)C	85079949	WSHGBKAPZLMAED-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)C)C1CCC(C)(C)CC1	87943072	OBBUWBHSNYNIQK-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)[C@H](C)CNC(C)(C)C	87953614	SGHHDGXXDPZXMJ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@H]1CCCCC[C@@H]1C	88508926	YLVDEHMULLJHFK-UXLLHSPISA-N	245.410	4.614	0	10	BJAE	
CC(C)(C)CN[C@@H](CC(C)(C)C)c1ccccc1	103972659	NNVUQTDFVRWNPV-HNNXBMFYSA-N	247.426	4.800	0	10	BJAE	
CCCCCCC1(CNC(C)(C)C)CCCC1	104148585	QVOLOPYNQIBCCP-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
C1CCC(CCN[C@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	109896654	GKCACUJBXPMNFX-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)C2CCCC2)c(C)c1	109898530	KCOKCPNXZMJCCL-CQSZACIVSA-N	231.383	4.602	0	10	BJAE	
CCCCCCC1(CNC2CC2)CCCCC1	110449486	SUVPSODWXVRWQI-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
Cc1oc2ccccc2c1[C@H](O)CCC(C)(C)C	123755297	HXKIPKXCXBHOJZ-CYBMUJFWSA-N	246.350	4.601	0	10	BJAE	
CC(C)c1ccc(-c2cccs2)cc1	140422037	IIUDZDPILDMBFH-UHFFFAOYSA-N	202.322	4.539	0	10	BJAE	
CCCN[C@H](CC(CC)CC)c1ccc(C)cc1	148216323	FBMSIHDJJHBIGW-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@H]1CCCc2ccccc21	164352164	LBJOVCUXMROPSE-DZGCQCFKSA-N	244.378	4.502	0	10	BJAE	
CCCCCCC(=O)Cc1c(C)cc(C)cc1C	164632817	GJKAJPHWCRRJRO-UHFFFAOYSA-N	246.394	4.694	0	10	BJAE	
CCCc1cccc([C@@H](O)C2CCCCCC2)c1	165396775	FKVOSSGSDAELLQ-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)c1	166060275	JPDPXEBYUUWGOC-NWANDNLSSA-N	244.378	4.558	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H]1CCCCC1(C)C	226552902	UPSNLJVHBXVBOQ-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H]1CCCC1(C)C	226866718	QLDBZLBIAVEXLA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@H](C)CC1CCC1)c1ccccc1	229683089	UTBBSDURXVOXAS-PBHICJAKSA-N	245.410	4.696	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCC(C)(C)C2)c1	232229193	OIECZXFQKXPPPN-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CC(C)C[C@@H]1CNc2ccc(C(C)(C)C)cc21	232623610	QDCABVCPVRORPB-GFCCVEGCSA-N	231.383	4.539	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccc(Cl)cc1C	232862212	GLRIGWCXZZTNEP-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)c1occc1C	233547117	VIYLARFURBWCSV-HNNXBMFYSA-N	247.382	4.519	0	10	BJAE	
CCc1ccccc1[C@@H](O)C1=CCCCCCC1	234154979	WMUFPQNIGLGXFA-KRWDZBQOSA-N	244.378	4.563	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C1=CCCCCCC1	236300468	YBDUNQMJDBNBOJ-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@@H](C)[C@H]1C	250443726	SDNCXMVESOPDSY-XNRPHZJLSA-N	245.410	4.794	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@@H](C)[C@H](C)C1	251665741	CDFNDGLIHJBWCS-CQJMVSDSSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1NC(C)(C)CC(C)(C)C	251789436	LMMHGIKBXYEGLW-HZSPNIEDSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@@H](C[C@H](C)CC(C)C)NCC	300916045	MJZIPEVNFGOUGH-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(-c2c(F)cccc2Cl)c1F	300933774	IYVCZOUXHNIZOE-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@@H](C)CC(C)C	302389142	QLZWDKXGSKJUAV-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Sc2ccccc2)ccc1F	309343588	INRYULRCVPHXIR-UHFFFAOYSA-N	232.323	4.539	0	10	BJAE	
CC[C@H]1CC[C@@](CNC(C)(C)C)(CC(C)C)C1	318056466	YXTGDYGHIBYAEM-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCOc1cccc2c1ccn2[C@@H](C)[C@H](C)CC	319758972	DGPKRENFXIASOF-OLZOCXBDSA-N	245.366	4.647	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H](C)[C@H]2C[C@@H]2C)cc1	322149860	IDQJFPFXVAQRMD-JFILPPLUSA-N	231.383	4.657	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)c1cc(C)cs1	379084535	YVFGOZRZVHHUIB-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCC12CCCC2)C(C)C	379924225	RQMPJZGHYNAXCF-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CSc1ccccc1N[C@@H](C)CC(C)(C)C	384534745	DCXOVAUNVITGNI-NSHDSACASA-N	237.412	4.645	0	10	BJAE	
CN[C@H](c1ccccc1)[C@@H](C)CC1(C)CCCC1	386099706	JQHPLCNTHPEVNI-HOCLYGCPSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc2oc(C(=O)CC3(C)CCC3)cc2c1	386674532	XJDGOLRSQXPDJK-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C2=CCCCCCC2)CC1	392928552	RWESORDIZWYMAI-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
C[C@H](CC1CCC1)Nc1cccc2ccsc12	395389221	WAAQALXTIKAIOF-LLVKDONJSA-N	245.391	4.892	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C[C@H](C)C1CCC1	398737571	LAMDEPISIYRCQE-IMJJTQAJSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H]1C[C@@H]1CC(C)C	401017303	BXPBTVCUNGDEKI-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)CC1(C)CC1	401404064	NURNRLAPRRTVQU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1CC=CCC1	402202504	BXPCOKFEONNADE-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)CC(C)(C)C1CC1	405746548	QPMAYLJWEZAGKK-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc([C@H](N)C(C)(C)C(C)(C)C)c1	688910819	AFWXHHDBUKSGAE-HNNXBMFYSA-N	247.426	4.882	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC[C@H](C)SC2)c1	689396567	ALBUAPDKIJVXJM-WFASDCNBSA-N	249.423	4.506	0	10	BJAE	
CCC[C@H](C)CNc1cc(CC)ccc1CC	689595190	HVRJQVSPSWNEIV-ZDUSSCGKSA-N	233.399	4.660	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H]1CC2CCC1CC2	690117427	JVLFLGXJDUOVAL-QOJXUVEWSA-N	241.378	4.555	0	10	BJAE	
Cc1cccc(-c2ccc(C)c3ccccc23)c1N	690432980	FFFYBASANALPFH-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CCCCCCC(=O)CC(C)(C)C(F)(F)CC	691062501	TVZWMZNXEVFTRV-UHFFFAOYSA-N	248.357	4.988	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCCCC[C@H]1C(C)C	691127773	MPZOLHVOKWIHBO-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCC23CCCC3)CC1	693795161	NMNILNFXPYOAOW-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H](CCC)C(C)(C)C	695063262	TXXAHDGSWGZGCZ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC2CCC3(CC2)CC3)CC1	695701257	SJWMZTRJUNQUCU-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)CCCc1ccccc1	696591442	DSCZOLMMJIVILU-INIZCTEOSA-N	247.426	4.553	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccc(F)c(C)c1	696674422	WZLBOQPOLMUBKC-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCCC[C@H](CNC(C)C)C1CCCCCC1	696869563	XNIIIGDHQXHOQM-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccccc1OCCC1CCCCC1	699504987	CADHPVAJPCAEOX-UHFFFAOYSA-N	246.394	4.988	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H]1C[C@H]1C(C)(C)C	700009650	AEWQSNDZHJXEIJ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C2CC(C)(C)C2)cc1	701472096	ZBUMZBBHCICFDD-LRDDRELGSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@@]1(C)C[C@H]1C	704323925	ZAYCISNNXKCMNU-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H]([C@]2(N)CCCC23CCCC3)C[C@H]1C	704446857	JSBKKUSWMLNSNP-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c([C@@H](O)[C@@H](C)CC(C)(C)C)cc1C	704674318	WGKHSALCQVNIAF-HOCLYGCPSA-N	248.410	4.718	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCCC[C@@H]1C)C(C)C	704877584	INWSRSZTBUBMEY-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@](C)(N)c1ccc(C(C)(C)C)cc1	707696228	LVCJYMRWLSHGIR-KRWDZBQOSA-N	247.426	4.594	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@@H]2CCC[C@@H]21	707842172	WMBFXXBWRASLMG-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCCc1cccc([C@H](NC)[C@@H](C)CC(C)C)c1	708299639	ZXOGISKAOKIOJG-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
C[C@@H](CNCCC1=CCCCC1)CC(C)(C)C	709110363	YSJXODKUUOGPOP-CQSZACIVSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@H](C)CC(C)(C)C	709139703	JGCLCLJVUXHEIP-IHRRRGAJSA-N	227.436	4.602	0	10	BJAE	
Cc1cccc([C@@H](C)NC[C@H](C)CC(C)(C)C)c1	709184547	BDOXUDQHMCGFMW-HUUCEWRRSA-N	247.426	4.718	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)c1cc2ccccc2o1	709269859	AHISSCICFWKNRQ-LLVKDONJSA-N	244.334	4.688	0	10	BJAE	
CCC1(C[C@@H](NC)[C@@H]2CCCC3(CC3)C2)CCC1	710144537	ZJQNAXCGBIBXDI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)c1cscc1Cl	710400835	MBQKLKYTCCWKDL-QMMMGPOBSA-N	244.787	4.657	0	10	BJAE	
CCC[C@@]1(C[C@H](C)C(C)(C)C)CCCCCN1	710765569	MLKYTMXJEMZZRE-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)C1(C)CCCCC1	710825411	UNYVJENYFDKGRC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@@H](O)CCCC(C)C)C(C)(C)C	711178077	LHDZSVYZBWGZQF-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@H](C)C1CCC1)C(C)(C)C	711209036	BGOPTWPIWBPCBY-NWANDNLSSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C/CCc1ccc2sccc2c1	713679407	RHXZFOSEMRYBIM-ONEGZZNKSA-N	214.333	4.576	0	10	BJAE	
C=C/C=C/CC[C@]1(CNCCC)CCC[C@H](C)C1	713714522	AKGAMMYCTHDKJK-SGUAIBKKSA-N	249.442	4.705	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@@H]3CCCC[C@H]32)CCCC1	714322441	MDHYXXZNFVXBLB-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1OCC[C@@H]1C[C@@H]1C1CC1	714774562	BHOHJQGQUHSECH-GDBMZVCRSA-N	244.378	4.625	0	10	BJAE	
CCNCC1(CCCC(C)C)CCC=CCC1	718061724	OWEPOLJWSUDWGL-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCNC[C@]1(C[C@@H](C)CC)CCC=CCCC1	719090084	QRYQXJLHZGEATP-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H]1C[C@H]1N[C@@H](CC)CC1CCCCC1	720990948	ZFCBCBRPMHTOKK-OWCLPIDISA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2C[C@@H]2CC)cc1	723148249	HKKCYIXNNDITSQ-KCQAQPDRSA-N	232.367	4.625	0	10	BJAE	
CCC[C@H](C)N[C@H]1CCCCC12CCCCC2	1875414976	STQLNYPBAOHQJP-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCc1cscc1N[C@@H]1CCCCC1(C)C	1902391346	SNNFSLCUWGUWIQ-CYBMUJFWSA-N	237.412	4.691	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)CC1CCCC1	1905361249	NSTAYLJWMKXGMX-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C(=Cc1ccccc1)CCn1ccc2ccccc21	1912016808	WEYGNYQXXDZJIQ-UHFFFAOYSA-N	247.341	4.745	0	10	BJAE	
C[C@@H]1CC[C@@H](CN[C@@H]2CCC3(CCCCC3)C2)C1	1915865887	GRWLAYAYPRDMGL-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)c1ccc(CC(C)C)cc1	1919634991	AROMUXIWQLWPRD-KRWDZBQOSA-N	248.410	4.529	0	10	BJAE	
CC(C)C[C@@H](C)[C@](O)(CC(C)C)c1ccccc1	1920026800	IGKXVJABNNEYNX-NVXWUHKLSA-N	248.410	4.603	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC1(C)CCCC1	1920186441	HBMJFNXRDZJSAZ-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCC1CC(C(=O)CCC2=CCCCC2)C1	1921295109	YZJSOZDTWSQHMM-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@@H](C)C1CCCCC1	1926385091	GDQPXODDGHOBCT-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC[C@@](O)(CC1(C)CCCCC1)C(C)(C)C	1935619390	AUEXDNCFQWNLJY-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@](N)(CC)CC1(C)CCCCC1	1935625991	SRLFATNQFAPUDV-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(N)CCC(C)(C)C	1937166132	CKIMXUCWFWKARV-DZGCQCFKSA-N	227.436	4.602	0	10	BJAE	
CC(C)CC[C@H](C)n1ccc2ccccc21	1937173312	GUVLRGFEMJHRCL-ZDUSSCGKSA-N	215.340	4.639	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)CC1(C)CCCC1	1940244501	SAAOBXWEVZZROP-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@H](C)NCC(C)(C)C1CCCCC1	1940762535	JMLMLXRHGVIYQO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CCC[C@H]1CC1(C)C	1940875501	XUUPILCNMCZFLG-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C[C@H]1CCC[C@H](C)C1	1941249817	BWHUCCXIZFJNJK-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@H](NCCCCCC2CC2)C1	1941581758	OAQBTIUCMICIOT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@H](C)CCC(C)C	1942658152	PFGUIVKTHYLJLZ-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C(C)(C)C1CCCCC1	1944660935	NDNSJNMGVFXMNK-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)C(C)(C)C1CCCCC1	1944661381	SEZBVRPVBDDPQN-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CC[C@H]2CCCC[C@H]21	1946367648	RMEIGSQZCPKLRE-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCCCCN[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	1948597197	WNVXIXFYPLSUNL-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)CC(C)C	1948837688	JNCFQCQZYDRMDS-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
C[C@H](C[C@@H](N)CCCC1CC1)C1CCCCC1	1948934584	FBCDMQUEMYDSAE-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CCC(C)(C)CC	1949012943	DLBTXKKRTMZNJH-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC[C@H](C2(O)CCCCCCCCC2)C1	1949451679	ITIZPIPTSUMPNP-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)[C@@H]1CCC[C@@H](C)CC1	1950911658	QFKPLMLCSDPJTR-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCN[C@H]([C@H]1CCCC(C)(C)CC1)C(C)(C)C	1950914129	NGYZCFBNCLWXOU-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC1(C(=O)c2cccc3ccsc23)CCC1	1951235989	CCUKOZVTDHYBMS-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@H](NC2CCC3(CCC3)CC2)C1	1967790859	KKULPKPJCBQKRM-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	1968338813	BIBZLQAZMRMHJU-FOLVSLTJSA-N	245.410	4.733	0	10	BJAE	
CCC(C)(C)CCN1CCCc2cc(C)ccc21	1968413688	IXHNAJMFNHNZHP-UHFFFAOYSA-N	245.410	4.574	0	10	BJAE	
C[C@H]1CCCCCCN1C[C@H](C)CC(C)(C)C	1970728653	WSFDFKYEJSTRMF-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1NC1CC2(CCCC2)C1	1972922760	FEJHSWLDECHWBQ-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CN[C@@H](C)c1ccc(C)c(C)c1)C(C)C	1973385944	NJTDLQFHADKYRY-JKSUJKDBSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@H](CC(C)C)C(CC)(CC)CC	1978587832	WLEZIJLYJWDROX-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)C[C@H]1CCCCCCC[C@@H]1N	1980351303	MXKLTPICTSRDJB-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@H]1CCC(C)(C)CCC1=O	1984463293	YJJFPKBJFMMQRN-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC=CCCC[C@@H](NCC)C(C)(C)CCC	1984618084	HOZSPANNBSBEJA-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H](C)CCC	1984634017	CIUCNQGXJAWLPM-QKNOVVFDSA-N	225.420	4.537	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CC(C)(C)CCC1=O	1994033481	ISQYKKVCQKCNOG-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C(C)(CC)CC	1995207499	ZXWXAFZWDWTCKB-CYBMUJFWSA-N	226.404	4.988	0	10	BJAE	
CC(C)=C(C)CCN1CCC[C@H]1c1ccsc1	1995750854	BLRFSNOOJSLHGP-HNNXBMFYSA-N	249.423	4.631	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@](C)(N)C2(C)CCCCC2)C1	1996262953	IATADDYPJPGTHB-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@](C)(N)CCC1CC1)C1CCCCC1	1996363504	ARKFJHZDJSYLMP-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](N)(CC)CC1CC(C(C)(C)C)C1	1998235255	UECMKBBARJFAAB-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CC[C@@](C)(CNC(C)C)[C@H]1CCCC(C)(C)C1	2000164638	YWEBKWGXFHVLPI-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CCC(C)=C(C)C	2000314678	FLLNTQGWWCEURO-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCCC1([C@H](NCC)[C@@H](C)CC(C)C)CCC1	2000376553	NWYWNNRJUARLJO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@@H]1CC=CCC1	2000506001	XDFMFZYBQZQYNP-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@H]1CCCCCC1(F)F	2000763207	GREVGDRASIBDMX-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CC(C)CN(C1CCCCCC1)C1CCCC1	2000903121	NTZSYCSODMSUQB-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CCCC2CCC2)C1	2002997386	CGCHJZNCQASFSD-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(C2(O)CCCCCCCC2)CC1	2003112411	UHCMTUWADIYLFB-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CC(C)(CNC2(C)CCCCCC2)C1	2003414925	MRNMTKWIFZPZQU-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](NCC2(C)CCCCCCC2)C1	2004936543	AXBUQCROQRJOSN-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCC(C)=C1C	2006955211	YXYZNUGTUMIIJM-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)C(C)(C)C(C)C	2007943591	DLDFBDFVITVLMF-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CCC(C)=C(C)C)[C@H]1CC	2009230919	RYFNNSCOPZXYPE-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CCCCCC12CC2	2011275309	QYAYBJZAYFELDW-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CCC(C)C)[C@@H]1CC[C@H](C)[C@H](C)C1	2013275310	ZQKHAMYLJPZNCV-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CCC1(N)CC(CC(C)(C)C)C1	2014656768	QENLJRQSEZLTAX-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)CC(C(C)C)C(C)C	2015412073	KKPKTISTRVIUTR-ZBFHGGJFSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@@H](O)CC[C@H]2CC2(C)C)CCC1	2015632403	CMVADOSTEPWPPT-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCC1CC([C@@H](O)CC2(CCC)CCC2)C1	2015635876	QYSPHPNEVOMSNV-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C[C@@](C)(N)C2(C)CCCC2)CCC1	2017149178	XJQINYCAVRQHSS-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)[C@]1(N)CCC[C@@H](C(C)(C)C)CC1	2017472357	JEUWZFYHDYUOPV-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](CCCCNC(C)(C)C)CC1	2017733610	MDKMWNXHPMRBQL-SHTZXODSSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C)[C@H](N)C(C)C)CC1	2017735828	GKPCVLKKWWODIP-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)C(C(C)C)C(C)C	2018076558	FXXMFLSXGYUPIZ-GJZGRUSLSA-N	241.463	4.862	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCC(C)(C)C1	2018139451	RVZNHUYPNIIKMS-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC1(C)CCCC1	2018184282	GKYFYTWYBCXRLK-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@@H](C)CCC	2018997590	BZMRYQKONDXYEW-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCN(CC(C)(C)C)C[C@H]1CC[C@H](CC)CC1	2019480932	QGOQYJRREAUAMI-SHTZXODSSA-N	239.447	4.571	0	10	BJAE	
CCCCCC[C@@H](C)NCCCCC(C)(F)F	2023297918	UUEBBZBLBFHVAR-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
CC1(C)CC(CC(=O)C(C)(C)C)CC(C)(C)C1	2024093140	YUZBQRZYOHMMLM-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@H]1CCCC(C)(C)C1	2024123135	KSSMYONTMYSDJL-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CC1(CC[C@H]2CCc3ccccc3N2)CCCC1	2027305844	DYSCBLAGFNSZMR-OAHLLOKOSA-N	243.394	4.774	0	10	BJAE	
Cc1ccc([C@@](C)(N)CC2(C)CCCCC2)cc1	2027306487	LFPJRAFMSNJIKS-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC2CC2)CC=CC[C@@H]1C	2027913619	QTGZRCGRSNHJBI-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](CC2CCC=CCC2)NCC)CC1	2028872441	GAWRKWGMNVUNQC-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)c1ccc(C(C)C)cc1	2029822907	FXNUFTAMJBAADN-RHSMWYFYSA-N	247.426	4.882	0	10	BJAE	
C1CCCC(CN[C@]23CCCC[C@H]2CCC3)CC1	2031800239	YJNJNFLLCHUZKF-IRXDYDNUSA-N	249.442	4.659	0	10	BJAE	
C(CCC1CC1)CNC[C@]12CCCC[C@@H]1CCC2	2031806257	WRTPMYZFIVKEHM-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccccc1C=Cc1ccccc1N	2031834061	JQLONNCZILSGEF-UHFFFAOYSA-N	237.346	4.563	0	10	BJAE	
C[C@@H](CNc1ccccc1C1(C)CC1)C1CCC1	2032245407	KLQUKXMYEJFBAR-ZDUSSCGKSA-N	243.394	4.586	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CC[C@H]2C[C@@H]2C1)C1CCCC1	2032296237	CDJUWEDHBUWBDG-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CCC(C)(C)C1	2033393762	JFTHTXYLIGOBHL-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
C1CCC(CCN[C@H]2CCCC3(CCCC3)C2)C1	2034365076	UBLMBBUMXRFNQZ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)c1ccccc1C(C)C	2035431165	PBIGXHOVHNCBBZ-YOEHRIQHSA-N	245.410	4.564	0	10	BJAE	
CCNCC1(C[C@H]2C=CCC2)CCC(CC)CC1	2035589310	GPXYRCDOMZDQDF-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)c([C@H](N)CCCC(C)(C)C)cc1C	2037106040	XVQCVONHHQTZBE-MRXNPFEDSA-N	247.426	4.828	0	10	BJAE	
C[C@@H]1CC([C@@H](N)CC2CCC=CCC2)C[C@@H](C)C1	2037205693	WURBDQDHQOMISU-ZQIUZPCESA-N	249.442	4.523	0	10	BJAE	
CCC[C@H]1C[C@H]1NC1CC2(CCC(C)(C)CC2)C1	2038932383	CQXLIQRBFZFICM-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC([C@]2(N)CCCC3(CCC3)C2)CC1	2041289117	FZDGUSWRBNSOPJ-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC=CCCC2)CCC[C@@H]1C	2045319233	BNBQTVWVTCOARX-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
O[C@]1(C[C@@H]2CCC=CCCC2)CCC12CCCC2	2045331779	IXTOOUGIBDIFAE-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
C[C@H](NC[C@@H]1CCC=CCCC1)C1CC(C)(C)C1	2045333211	XDQMLMALNJIUQO-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
O[C@@]1(C[C@@H]2CCC=CCCC2)CCCC12CCC2	2045345426	JJRJAMSOFKFBDG-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](Oc2ccc3[nH]ccc3c2)C1	2045460580	QDYSRFIZASAASX-CQSZACIVSA-N	243.350	4.516	0	10	BJAE	
CCc1cccc(C(=O)[C@H]2CCCC[C@@H]2CC)c1	2045563009	CVFRJUUPWDVYOH-HOCLYGCPSA-N	244.378	4.648	0	10	BJAE	
CCC[C@](C)(CNCC)C[C@H](C)c1ccccc1	2045997817	NKFAGSQSADHXRO-RDJZCZTQSA-N	247.426	4.596	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CC12CCCCC2	2047059125	NQHZULWKPUGHHT-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1=CCCCC1)C1[C@H]2CCCCC[C@H]12	2048371953	UDFDCZUNULWVQT-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CCC1CC(C2(CNC3CC3)CCCCCC2)C1	2048634881	TZFVOQVEXCEWBO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)[C@@]1(C)C=CCC1	2050005753	ILDHEJZJJQYPCM-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(N)C3CCCC2CCC3)C1	2050012031	LGHMOQKSCMFKJR-STXJZCLZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@@H](C)C1)c1ccco1	2050525632	QAGHMJSUGUIYTH-QLFBSQMISA-N	249.398	4.537	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCC[C@@H]3CC[C@@H]32)CC1	2052279695	KWXHOCAAEABIRP-SFOJROILSA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CCCCC23CC3)CCCCC1	2053409611	AWCVOAGCNZKKAX-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCC1(C[C@@H](NC)[C@H]2CCCCC23CC3)CCC1	2053412318	OPZKDMOXDWFQPF-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccncc1N[C@H]1CCCCC1(C)C	2053853716	LZFNUFXGQIZXEC-HNNXBMFYSA-N	246.398	4.586	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCC[C@H](CC(C)C)C2)CCC1	2055549997	QLHPIIUHHNWWMR-ZACQAIPSSA-N	249.442	4.680	0	10	BJAE	
C[C@]1(C(=O)CC2CC(C3CCC3)C2)CC=CCC1	2056668603	XEYMIHYRVGWAEW-PGEKIEPBSA-N	246.394	4.518	0	10	BJAE	
F[C@@H](C=C1CCCCC1)c1cccc2c1NCC2	2056884897	XXLLDTUBISOPJX-HNNXBMFYSA-N	245.341	4.556	0	10	BJAE	
CN[C@H](CC1CC(=C2CCC2)C1)[C@H](C)CC(C)C	2061734605	OZCOAGFYLTWXFG-CXAGYDPISA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063406258	KZOMZSVAEGWZGZ-MUJYYYPQSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC2C[C@@H]3CCC[C@H]3C2)C1	2063525141	RUYXOCHQIKGCQS-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@H](C)C1CC2(CC2)C1)C1CCCCCC1	2064501980	OTHIBPOLUJVTQE-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1(CC2(N)C[C@H]3CC[C@@H](C3)C2)CCC1	2071955813	INZWJADMQYMJKY-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1CC2CC1C2	2072048077	JKHDMRJRWLVPDM-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC[C@@H]1C[C@@H]1C)c1ccccc1C(C)C	2072075371	GUNSSIHWDSOTMF-JJRVBVJISA-N	245.410	4.507	0	10	BJAE	
CC(C)=C(C)C[C@@H]1CCCc2ccccc2C1=O	2072409779	QXMDYLSKRHRQQE-HNNXBMFYSA-N	242.362	4.568	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(N)(C2CC2)C2CC2)CC1	2072802458	XTMNHUBESLIGEU-HDJSIYSDSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@]2(N)C=CC[C@@H](CC)C2)CC1	2072815848	PUYPCPPPDJWANQ-MYBQVCMBSA-N	249.442	4.667	0	10	BJAE	
C[C@H](c1ccccc1)N(C)[C@H]1C=CCCCCC1	2074801021	ANQOHCFGBNJEFK-WBVHZDCISA-N	243.394	4.568	0	10	BJAE	
CC(C)CCCCCN1Cc2ccccc2[C@@H]1C	2075154614	SUBYENKJLVKPTF-HNNXBMFYSA-N	245.410	4.780	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H]1[C@H]2CCCCC[C@H]21	2077193881	DUFARKPPLUGZPC-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1C[C@@H]1C1CCCCCC1	2079434473	HLPRIICHVUZJAF-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CCN[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079528527	KAXOKOJORTZQLQ-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](NCC)[C@]1(C)CC=CCC1	2079623910	AQWQMYXQLGRFMC-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(N)(C[C@@H]2C[C@@H]2C2CCCCC2)C1	2079666762	SPGOHCFAEHXLAD-CBUUIXETSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(C[C@@H]1C[C@H]1C1CCCCC1)C1CCCC1	2079832471	NJNNMJOBNWOLKV-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C1CCCCC1)[C@@H]1C[C@@H]1C1CCCCCC1	2079838375	ILCHHNBOBRXIBN-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCC1)C[C@@H]1C[C@H]1C1CCCC1	2079841935	LNXXIMUFIUSGPO-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CC(C)CNC[C@@]1(CC=C2CCC2)CC[C@@H](C)C1	2081681713	DQBFBHCTFAJMSO-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCC1CC(C[C@H](NC)C2=CCCCCCC2)C1	2085000619	INFPPVUYUOSIQV-DQPZFDDXSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2C[C@H]3CCC[C@H]2C3)CC1	2086159685	QGDNQZBBOMMMNN-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)[C@@H](O)CCCCCCC1CC1	2210526975	LTXRIEKCAGHQPR-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CCCC[C@@H](N)C1CCCCC1	2211242842	WMVDXXNTHARTPA-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc(NCCCCCCC2CC2)c1	2213582240	FZNTVNBTAKCALT-UHFFFAOYSA-N	231.383	4.767	0	10	BJAE	
CCC[C@@](O)(CCCCC1CC1)C1CCCC1	2214567362	BUWREZRMVXVENH-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1CC[C@H]1C	2214924379	ZXPBLDSFCBNQPV-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@@H]1CC)CC(C)C	2215248870	LQHCMQQJOFPKJJ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)CC1(C)CC(C)(C)C1	2215377836	MLAVWKMFIHAYAK-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(N)CCCC(C)(C)C2)C1	2215395554	ZEMOISXZPFKMRE-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@]1(CC2(C)CC(C)(C)C2)CCCCCN1	2215397720	FXESJAZXQDNIFH-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCC[C@@H](C(C)(C)C)C1	2216255185	BWXVCOMHWPMZKU-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)C(C)(C)CCC	2216281886	DGDGFFMDRAPNKU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(OCCCCC(F)F)cc1	2216504967	NLRKNYDDCMKTRG-UHFFFAOYSA-N	242.309	4.624	0	10	BJAE	
CC[C@@H](C)[C@](C)(N)CCCCCCCC1CC1	2216860170	MLYOLZQGUPTRMI-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)NC[C@]1(CCCC(C)(C)C)C[C@H]1C	2217155100	ZOCKPPGVFWXAPV-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1C[C@H]2CC[C@H]1C2	2217276627	XOVNMPLLMYHNJT-WBIUFABUSA-N	249.785	4.503	0	10	BJAE	
O=C(C[C@H]1CC=CCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218304199	MVVWORTYYGVKIW-CAOSSQGBSA-N	246.394	4.518	0	10	BJAE	
CC[C@@](N)(CC=Cc1ccccc1)CCC(C)C	2219088487	ROCLQHXIORKHRV-QGZVFWFLSA-N	245.410	4.634	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)CC=Cc1ccccc1	2219090155	JIFBAKWXRPHLQE-RDJZCZTQSA-N	245.410	4.504	0	10	BJAE	
CC(C)(CCn1ccc2cccc(F)c21)C1CC1	2220308205	WDIAHQUWNSWIIV-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2221642472	GACDWDMHWDBSMG-PNBKFKSVSA-N	246.394	4.518	0	10	BJAE	
CC1=CC[C@](CNC(C)C)([C@@H]2CC[C@H](C)C2)CC1	2221661764	MMGYAMRRKNUKCK-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
C(CCCN[C@H]1C[C@H]2CC[C@H]1C2)CCCC1CC1	2223106623	UIQYHJFEDYRWPN-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CC1(N)CCC(=CCCCCCCC2CC2)CC1	2223132978	QPTSTLXBYQRJEK-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CC[C@H](C)NCC1([C@H]2CCCC[C@H]2C)CC=CC1	2223541958	NFFNKEOWZMYLOX-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](NCC)c1ccc2occc2c1	2224140780	ZNLZEYFZKRBXJO-OAHLLOKOSA-N	245.366	4.664	0	10	BJAE	
CCCCC[C@H](O)CC[C@@H]1CCC[C@@H](C)C1	2242812407	JWSQRJYCZIPULX-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)NC(C(C)(C)C)C(C)(C)C	2243351416	LAWWKRPFUNCRTR-LBPRGKRZSA-N	227.436	4.616	0	10	BJAE	
CCCC[C@](CC)(CNC)CC1(C)CC(C)C1	2246531418	HPGQFWFPZDQIEC-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2(C)CC(C)C2)CC1	2246573599	PZUJZSDAENSVKP-BCLQGDPASA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](O)CCC[C@@H]1CCCCC12CC2	2246627808	UBZNEIHUKBAGEG-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)[C@@H](N)CC[C@H]1CCCCC12CC2	2246633399	ZVDYBKCAYBLKBE-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](O)CCC(C)(C)C)C1	2246724158	CFVMRKRQPJSPOU-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CCC1(CC)CC(N)(CCCC[C@@H]2C[C@@H]2C)C1	2247173618	SZSPDEYYRSBLEC-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1CCC12CCC2	2247445040	CFBYFHRNVBDIAY-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC(C)C(CCC1(O)CCC=CCC1)C(C)C	2249285825	HCVUZZSSAKOKAI-UHFFFAOYSA-N	238.415	4.556	0	10	BJAE	
CCCC(CCC)NC[C@]12CCCC[C@H]1CC2	2251135033	AGOCNIUSLAZFKC-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H]1[C@H](N)C(C)(C)CCC1(C)C	2251703902	XSWVWIOEVBPEPA-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC[C@H]1CCCCC12CC2)C1CCC1	2253800735	BASROYNAGDAFKR-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@](N)(CC[C@H]1CCCCC12CC2)C1CC1	2253843190	HTUKTNQEOXEHEL-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C[C@H]2C[C@H]3C[C@H]3C2)C1	2253931593	RJBHORXXFKEBTQ-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@]23CCCC[C@H]2C3)C1	2253938403	LKVMABQXTNXVRV-AIANPOQGSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@H](NCC2CC3(CCCC3)C2)CC1	2254071779	IMPLZOQRNNATGF-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N)(C2CC3(CC(C)C3)C2)C1	2254459791	BRQTVVRHSGBZCQ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](NCCCC[C@H]1C[C@H]1C)c1ccccc1	2254535426	PVIADVXKNWKCIU-PVAVHDDUSA-N	245.410	4.554	0	10	BJAE	
O[C@]1(CC2=CCCCC2)CCC[C@H]2CCCC[C@H]21	2255050875	LZXWZXURUNNIQK-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
CCCCC1CC(Nc2c(F)cccc2CC)C1	2256141062	DWAWFROPFLJXCK-UHFFFAOYSA-N	249.373	4.769	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C12CCC(CC1)C2	2257244971	GMODEKVWXNUOEJ-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
CC1CC2(C1)CC(C[C@]1(N)CCCCC[C@@H]1C)C2	2259570272	AAYJIWPAQZKSMT-NNSQQDGLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@]1(F)CNc1cccc(C2CCCC2)c1	2260661551	FSHHYJSXXVESOB-LRDDRELGSA-N	247.357	4.504	0	10	BJAE	
Cc1ccc2c(ccn2[C@H](C)CC2CCC2)c1	2298873045	GEHIACMZIGAXNO-CYBMUJFWSA-N	227.351	4.701	0	10	BJAE	
CCCC(C)(C)C(=O)C(CC1CC1)CC1CC1	2298886600	HHOPYWXNYBJCCI-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC)CC=C(C)CC1	2300687817	GUKBBPAVVLWRRN-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)CC[C@@]1(CN)CCCC12CCC2	2300701277	QLAZSBXEYZAWAP-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)CCC1(C)CC1	2300875365	UOXWELSOPWVXGN-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H]1C[C@H](C(C)C)CCC1=O	2301834821	BBKOGKIAFPQIJL-YJNKXOJESA-N	238.415	4.556	0	10	BJAE	
CC1(CCC[C@@H](O)CCC2=CCCCC2)CC1	2301937541	FVJPYWJVXKEVMQ-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC)CC(N(C)[C@H](C)[C@H](C)C(C)C)C1	2301978417	OHKQCGZQXAKDBS-ZIAGYGMSSA-N	239.447	4.568	0	10	BJAE	
CCC[C@H](C)[C@@H](CCCC1=CCCCC1)NC	2302360626	CRMLSRDBNLWPLP-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)C2(C)CCCCC2)C1	2302753016	JVUJLPQDXXUIGU-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CCC(C)(C)C(=O)C2)C1	2302760931	NAABOTZRRXZTPW-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC(C)(C)C2)C1	2302763871	RHQNPPYDEWABEZ-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@H]1CC[C@@H]1C(C)(C)C	2303488889	BCVCMMLPSHBGCO-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](CC=C(C)C)CC[C@@H]1CCC(C)(C)C1	2304433427	BTXLUAZLJORHNE-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(-c2nc([C@H]3C[C@@H]3C)cs2)cc1C	2307682709	GVZWJYMINJNJDX-AAEUAGOBSA-N	243.375	4.550	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(O)CCCCCC12CC2	2307834682	KSWAIWGWMPPOLZ-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)C[C@H](C)CC(C)(C)C1	2307880551	WOMYHPIPWOWBMA-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H]1[C@@H](NCC)CCC[C@H]1C	2307902819	MSMGDEOPMOBBIR-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]1C1CCCCC1)C1CCCCC1	2311537282	NRBZWHYPXHKJEX-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
C[C@]12CC[C@](C)(C1)N(CCCCCCC1CC1)C2	2313225279	GJRWYANHMKVAQL-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
NCC[C@H]1CCC[C@@H](C[C@@]23CCCC[C@@H]2CC3)C1	2313342555	OIUJSNJXYCABGF-VQHPVUNQSA-N	249.442	4.502	0	10	BJAE	
CCC(C)=CCC(=O)c1ccccc1C(C)(C)C	2316511752	WHAIHSWXKQFNAH-UHFFFAOYSA-N	244.378	4.913	0	10	BJAE	
CCC(C)=CCC1(N)CCC2(CCCCC2)CC1	2316541543	HMMUPSOHGQMOFE-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
Cc1cccc([C@@](C)(N)CC2CCCCCC2)c1	2316882475	ZGWVUADQPSUKAC-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CCCCC[C@@H](C[C@H]1C[C@H]2C=C[C@H]1CCC2)NC	2317158147	SKLCFZCHXZMCBE-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@H]1CC[C@@H](C)C1	2317927285	JILUJOFRISPGIC-OLZOCXBDSA-N	249.373	4.797	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)CCCC1=CCCCC1	2318561566	OTNPXQMAEZSVHQ-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
NC1(CC[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCCC1	2318863349	RHEUPBHRWXIWMI-HRCADAONSA-N	249.442	4.645	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC[C@@H]3C[C@H]32)cc1C	2319248939	IQUVPWCSVSXDQM-DJIMGWMZSA-N	243.394	4.548	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1CC[C@H]1C1CC1	2319579150	QDOFAHUQGYELQH-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)[C@H](NC[C@@H]2CC[C@H]2C(C)(C)C)CCC1	2320248164	FGBZBPBQVIOWCD-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@H](N)[C@@]1(C)CC=CCC1	2320256335	QNZNANAHAPWGEP-HWMZRRJGSA-N	249.442	4.523	0	10	BJAE	
CC(=C[C@H]1CC[C@@H]1C(C)(C)C)c1ccc(N)cc1	2320310245	IEXDKTHNQCTTLM-ZBFHGGJFSA-N	243.394	4.744	0	10	BJAE	
CN[C@@H]1CCCC[C@@H](C[C@@H]2CCC(C)=C(C)C2)C1	2320334346	OFSDDNGIXHJRJJ-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)[C@H]2CCCC2(C)C)CC1	2320338127	SHCGBQVTZXXCJR-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](CC2(N)CC3(CCCC3)C2)CC1	2320340155	JSYFGNOFEOXSDZ-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CC[C@H]2CC2(C)C)CC1	2320409766	XXVRTYBJGZBZKH-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C2=CC[C@H](C)CC2)c1	2320517380	QFKVQYQTJVHRRP-GUYCJALGSA-N	244.378	4.590	0	10	BJAE	
CCc1cc(F)cc(NC[C@@]2(C)CC=CCC2)c1	2321084342	XCPMHLAGOZHWTP-INIZCTEOSA-N	247.357	4.546	0	10	BJAE	
CCCCC[C@@H](N)c1c(C)c(C)c(C)c(C)c1C	20481430	GYYVROILUFQFAA-MRXNPFEDSA-N	247.426	4.809	0	10	BJAE	
Cc1ccc(C)c([C@H](C)Nc2ccccc2F)c1	21517271	HRSLYZJKMMDEMB-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCc1ccc(N[C@H](C)c2ccc(C)cc2)cc1	21800142	LFPNZLFOCWLDSG-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
CC(C)C[C@H](NC1CCCCC1)c1ccccc1	21812685	QAHVTBZNXGLVEG-KRWDZBQOSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@H](NCCC)c1ccc(CCC)cc1	35582810	JTNFKAJUSFOMFP-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
C=CCCCCCCCCC[C@@H](O)CC=C	36373382	RHKXNUYKSNWTSA-HNNXBMFYSA-N	224.388	4.620	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCC[C@H](C)C2)cc1C	37253939	KACNOWDZYKIZFR-NUTKFTJISA-N	245.410	4.533	0	10	BJAE	
N[C@]1(C2CCCC2)CCCC[C@@H]1C1CCCCC1	37376822	MTKHPANXIMKENI-SJORKVTESA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](c1cc(CC)ccc1CC)C(C)C	70440908	ZHZCYJDHHXYXRI-KRWDZBQOSA-N	247.426	4.508	0	10	BJAE	
CCC[C@H](C)CN[C@@H](CCC)c1cccs1	71105500	OEZITRCWQMSERY-STQMWFEESA-N	239.428	4.615	0	10	BJAE	
Cc1ccc(Nc2cccc3cccnc23)cc1C	82715921	CWLAAHPWCABBFW-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
CCCc1ccc(N[C@H]2CC[C@H](C)C[C@@H]2C)cc1	85086613	QYIHQQKBYUFHJE-ZQIUZPCESA-N	245.410	4.876	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC[C@H](C)CC1	86892612	BGNMKZWBEAMBKW-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@@H]1NCCC	103947429	VZZTUWMLRQDWIT-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC/C=C\C[C@@H](C)c1cc(C)ccc1C	107531764	IERUVTRANXWWCW-FMFIFOJESA-N	202.341	4.763	0	10	BJAE	
CCCCC1CCC([C@@H](N)C2=CCCCC2)CC1	110228350	HMYQPXRKZXUASX-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
Fc1ccc(-c2cccc3c(F)cccc23)cc1	112733522	LYEBCZMJDVYYAU-UHFFFAOYSA-N	240.252	4.785	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@@H]1CCCC[C@H]1CC	113692315	PJQBZIRXYZEEMB-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)Sc1ccc(NC2CCC2)cc1	128637043	GRMZCRKPRBMYBX-UHFFFAOYSA-N	235.396	4.542	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1CCCCC1)NC	161015922	NLZZTUWVDRTCNK-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H]1CC)c1ccc(C)cc1	163901382	ZDGVEAROTPIDLG-XIRDDKMYSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)c1ccc(C)c2ccccc12	167342209	DXRCZOYTSCBVHC-SJKOYZFVSA-N	241.378	4.584	0	10	BJAE	
CCCCCCNc1c(F)cc(F)cc1Cl	215731304	MIXUDZMHYDPQNX-UHFFFAOYSA-N	247.716	4.610	0	10	BJAE	
CC[C@@H](N[C@@H]1CC[C@@H](CC)[C@@H]1C)c1ccccc1	225203592	HGNNPRXAFBVHKY-XOSAIJSUSA-N	245.410	4.552	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@]1(N)CCCC(C)(C)C1	226900464	IOOGBMOVHOVEGH-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CC[C@@H](NC)C(C)(C)C	227182230	ADFWLRTXANJAMA-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cc(Cl)ccc1C	229616353	KQCKIYHSVLUZEZ-AAEUAGOBSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc([C@@H](C)NCC(C)(C)C(C)C)cc1C	232782485	CGZUNPRKUOQKKB-OAHLLOKOSA-N	247.426	4.636	0	10	BJAE	
CCCCCC[C@@H](C)[C@H]1CNc2ccc(F)cc21	232949988	PYINBWNMWBSTGB-IUODEOHRSA-N	249.373	4.941	0	10	BJAE	
CCc1ccccc1NC[C@H]1CC(C)=C[C@H](C)C1	234151118	RKWIQBGIOCDGQJ-DZGCQCFKSA-N	243.394	4.653	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)C1CCCCCC1	234390620	GIALLJABMNRKQV-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
Clc1cccc2c1NC[C@H]2CCC1CCCC1	236069054	UFQIOONFAGDALR-GFCCVEGCSA-N	249.785	4.820	0	10	BJAE	
CC[C@]1(C)Nc2cccc(Cl)c2[C@H](C)[C@H]1C	257987087	BDQCOPRYVPDYIJ-RULNRJAQSA-N	237.774	4.674	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)[C@@H](C)CCC	300350822	YHFQBXWGHVUKQW-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCc1cc(N[C@H]2CCC[C@H](C)CC2)ccc1C	302334740	SSBBMSWWFOIXCA-BBRMVZONSA-N	245.410	4.938	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1ccc2ccccc2c1	302590326	UFWVXOBYFHUELZ-ZDUSSCGKSA-N	240.346	4.705	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)([C@@H](C)CC(C)C)CC1	302604490	WWOKBXHRVQREBG-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC(C)(C)c2sc(-c3ccccc3)nc21	306015558	IWFFPLANELLYPB-JTQLQIEISA-N	243.375	4.595	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)CC1CCCC1	309990420	MCPRPYBYMYOTTK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCNCC1([C@H]2C=CCCC2)CCCCCCC1	317450145	ZCIKHJPUQSPWRT-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CCC[C@@](CNC(C)C)(CC(C)C)C1	317777157	UWNMVWVBLCTUNN-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
Cc1cc([C@@H](C)NCC2=CCCCC2)c(C)s1	379573275	UQZWOBFYTPYHLQ-GFCCVEGCSA-N	249.423	4.516	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)[C@@H](C)CC(C)C	380114445	ALYWTTCJFWRSGB-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCC[C@@H](Cn2ccc3cc(F)ccc32)C1	380984205	ZLSWWLULFLXQOV-QWHCGFSZSA-N	245.341	4.607	0	10	BJAE	
CCCc1ccc(N[C@H]2CC3CCC2CC3)cc1	381992184	KQTDACVDCRRKMY-DQPZFDDXSA-N	243.394	4.630	0	10	BJAE	
CN[C@@H](C)CC(C)(C)CCCCCC(C)C	383170285	KWUQOMFOKRIJAG-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCc1ccccc1[C@@H](N)CCC1CCCC1	384619324	IGIKGFNVGBKZOL-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCNC/C(=C\C(C)(C)CC)C1CCCCC1	394666979	JJLUHPVJQYVOMH-NTCAYCPXSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)CC(C)(C)C	395028162	UBXHDCGOWGYNEF-HIFRSBDPSA-N	228.420	4.780	0	10	BJAE	
CCOc1c(C(F)F)sc2c(C)cccc12	396232481	CKZJQBCJCRKVEY-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
COc1ccc(Cl)c2cc(C(F)F)sc12	396295023	XPSHCWGXCWCEIS-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1cccc(CC)c1NC[C@H](C)C1CCC1	398668068	QWZNCDXXEUQGDT-ZDUSSCGKSA-N	245.410	4.660	0	10	BJAE	
Clc1cccc2c1ccn2C[C@H]1CC=CCC1	402220125	RDKIMTGYLQSEQV-LBPRGKRZSA-N	245.753	4.651	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@@H](C)CCC	402373365	ZZMGBXJZQJDPHX-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1	403693348	ZPDXCBUBMBLZLF-YUELXQCFSA-N	236.399	4.598	0	10	BJAE	
CCCCCCNc1cc(CC)ccc1CC	689595259	JFSBGGKHJRXKKW-UHFFFAOYSA-N	233.399	4.804	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(CC)ccc1CC	689595733	LAWYZOSAGCTDKY-CYBMUJFWSA-N	233.399	4.802	0	10	BJAE	
Cc1cc(Cl)c(-c2cccc(C)c2N)cc1C	690432983	FFOCOPQHLKRAGV-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(O)CCCCC[C@H]1C(C)C	691129089	SLAYYFCWXGPXQF-HRCADAONSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)C(F)(F)CC	692361647	BXGRDHIWNMKFMQ-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCC(C)(C)CC	696661015	DCZPDOZWMAOZSK-CYBMUJFWSA-N	226.404	4.988	0	10	BJAE	
CCC(C)(C)CCNc1c(C)cccc1Cl	696753324	UWKOLPVWGZXCTA-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CC(C)CCCCNc1cc(Cl)ccc1F	703992353	XQCBAUFNDUUBDH-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CC(C)CCCC1(N)CCC2(CCCC2)CC1	704441809	KWWQMRJQLXJWSP-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)c1cc2ccccc2o1	704673502	QHICXSXJFCJVEC-IAQYHMDHSA-N	246.350	4.539	0	10	BJAE	
CCN[C@H]([C@H](C)CC(C)(C)C)C(C)(CC)CC	708299555	ZFDSQSVIIXTRGX-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](C[C@@H](O)C1(C)CCCCC1)CC(C)(C)C	709127654	DOPFDLJCNLCVSS-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)[C@H](C)CC(C)C)c1	709261805	RUXZITNUHDYTRK-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C23CCC(CC2)CC3)C1	710323649	KPXDBCIBDIQCBD-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C)[C@@H](C[C@@H](C)C(C)(C)C)C(C)C	710767284	PLKVCZDKQGXALL-KFWWJZLASA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)CCNc1cccc(C(F)F)c1	711292485	GWSDPGIXZNKOOP-UHFFFAOYSA-N	241.325	4.862	0	10	BJAE	
CCN[C@H]1CCCC[C@@H](CC(C)(C)C(C)C)C1	713174223	JZWMOKWORIQGJR-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(F)(F)CCCNc1cccc2ccccc12	718287326	TUXNEFVNBBOUEW-UHFFFAOYSA-N	249.304	4.687	0	10	BJAE	
CCCN[C@H]([C@@H](C)[C@@H](C)CC)C(C)(CC)CC	721756845	FVSYHUSMRZHKCE-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C/CCN[C@@H]1CCC[C@@H]1CCCCCC	1659932213	WBPQSRHXLOHYPK-AAAWEMBMSA-N	249.442	4.847	0	10	BJAE	
CCC[C@@H](NC[C@H]1CCC12CCC2)C1CCCC1	1875450273	AGKDVSUGMXABCB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCCCCc1cc(Cl)ccc1F	1889469936	FNAOKJHFPXUFFF-UHFFFAOYSA-N	214.711	4.602	0	10	BJAE	
CCC(CC)(CC)C(=O)CCC[C@@H]1C[C@@H]1C	1896095777	NYNJKNWINSTOFN-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)CCC(CC)CC	1900695858	IDVSRZLYGIEANX-OAHLLOKOSA-N	228.420	4.924	0	10	BJAE	
CC[C@@H](O)CCCC=C(C)CCCC(C)C	1900828219	YHOJIQYVMIWNQL-OAHLLOKOSA-N	226.404	4.700	0	10	BJAE	
CCC(C)=CC[C@@H](O)C[C@@H](CC)C(C)(C)C	1900872337	WOWJXCBXSBVSNS-ZIAGYGMSSA-N	226.404	4.556	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1cc(C)c(C)s1	1905380655	HCIOCJDGFLFJNO-CHWSQXEVSA-N	240.412	4.615	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)C(C)(C)CC	1905443417	HTAJUAORAQVJAI-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](NC1CC2(CCCCC2)C1)C1CCCCC1	1912708005	KJUUTAMPDCAFPF-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H]1CN[C@@H]1CCC2(CCCCC2)C1	1915864331	CLZBJECYOBIRBN-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)C[C@]1(CNC(C)(C)C)C=CCCC1	1916568701	LPYMDHAGRKJUNF-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CNC[C@]1(C[C@H](C)C2CCCCC2)C=CCCC1	1916613339	USLNKRSPUAEGOZ-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@](C)(O)c1cccc(CCC)c1	1919974088	ONZPGBGIAWYPHM-KRWDZBQOSA-N	248.410	4.817	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@@H]1CCCC12CCC2	1921642458	GEFJUGQCUSFWRX-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H](C)C1CCCC1	1924107571	HIPLERZGGINITD-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCC1([C@H](C[C@H]2C=CCCCC2)NC)CCCC1	1925909221	BSVSRTBVIVUJPO-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(NCCC(CC)CC)CC1	1926160031	SFSAVNOGHFJUOQ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@@H](C[C@@H]1C=CCCCC1)NC	1926387291	OQMPMZYKOFVDKE-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](N)(CC1(C)CCCCC1)C(C)(C)C	1940409137	NSQYBZMMAJTCJV-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1(C)CCCCC1)NC	1940413616	FEWYTSAQXSHLGK-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)CC1(C)CCCCC1	1940416037	PLZJVGWZZAKNII-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)NCC(C)(C)C1CCCCC1	1940762288	HJTXBSXMJZAXBZ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCCC2(C)CC2)CC1	1940870226	RRMFDYGLQPVKDP-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)CCC1CCCC1	1940879748	YMRJJJVEULQFFI-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC(=CCC1=CCCCC1)c1ccc(N)cc1	1940967621	QAZOZSZSABNXMZ-UHFFFAOYSA-N	227.351	4.563	0	10	BJAE	
CC[C@H](C[C@@H](N)[C@@H](C)CCC(C)C)C(C)(C)C	1942658062	OSYFYWFEZFSQNW-RRFJBIMHSA-N	241.463	4.848	0	10	BJAE	
CCC(=O)c1ccc(-c2ccc(CC)s2)cc1	1943021342	HMVJAZFZZVOFEH-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@@]12CCCC[C@@H]1CCC2	1944223964	VLXZZVCTHKQUGH-SQWLQELKSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@H](O)C[C@@H]1CCC[C@@H]1C)CC(C)(C)C	1944841964	GGFXWBAUMZRBOH-QPSCCSFWSA-N	240.431	4.636	0	10	BJAE	
CCC1(C)CC(C(=O)CC2(C)CCCCC2)C1	1948405570	OLMNYUUEAQHFRW-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)C[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948596846	SUSLNAXFXMDAPJ-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@H]1CC[C@@H](C)C1	1949518611	MKVZMKOCUWEOOB-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)NCCC1CC2(CCC2)C1	1949860761	YXRVFWOOYHUMRZ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCC(CC)CC)CC1CCCC1	1949870693	RBMAFLNOTLESJD-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
O[C@H](CCCCC1CCC1)CC1CCCCC1	1949913524	SHSLWJAMOPTTTA-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H]1CC12CCCCC2	1950603799	DPKHWMRNZFSUPL-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@@H](N)CCCC(C)(C)C	1950970348	IAXMOMVREKMFIS-ILXRZTDVSA-N	237.431	4.523	0	10	BJAE	
CCC1(C(=O)C[C@@H](C)C2CCCCC2)CCC1	1951236616	NFDADYFBZGRSDB-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)CN(C)CC[C@@H]1CCC[C@H](C)C1	1964262654	STFDNHWWUNPZDB-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
C1CC[C@@H]2CC(NCCCCC3CC3)C[C@H]2CC1	1965903349	LJYIVGAMTMCZMH-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CC[C@H]2CC(C)C)c1	1968307636	NDWZMVXFNFNBPF-HOCLYGCPSA-N	231.383	4.540	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCCCC23CCC3)c1	1968308128	SJCSKPMLYOBBQE-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
CCCC[C@H](CC)CN(C)Cc1ccccc1C	1968376531	BDGNBFMXVAEAPY-INIZCTEOSA-N	247.426	4.643	0	10	BJAE	
CCCc1ccc(N[C@H]2CC[C@@H]2CC(C)C)cc1	1968425638	GAQWLFLADSCQON-WBVHZDCISA-N	245.410	4.876	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2C[C@H]3CCCC[C@@H]3C2)C1	1970280847	LAXDDIDGDHENBH-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@H](CCC)[C@H]1CC1(C)C	1970831721	ZDMJHWIXGBIZMB-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)N(CC(C)C)C[C@H](C)C1CCC1	1971358455	BWUXYLNILWANGG-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CC(C)(CN[C@@H]1CCCC12CCC2)C1CCCC1	1971701139	HCSZJMSMJZTJLO-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CCCC2(CCC2)C1	1973315748	MFVNVZRJQREUTE-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1sccc1C(=O)C1(C)CCCCCC1	1978450662	UDYNJQLSELPFHZ-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CC(C)CCCCC[C@H]1CC(=O)C[C@H](C)C1	1982566521	OKLOEOAHDFYFRW-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCCc1cc2cccc(Cl)c2o1	1984607291	PJUJWPYOCVKMIB-NSCUHMNNSA-N	234.726	4.985	0	10	BJAE	
C/C=C/CCC[C@@H](CCCCCC)NCC	1984629238	FVBDYPINFGUVGE-SZTZYQKNSA-N	225.420	4.681	0	10	BJAE	
C1=C[C@H](CC[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	1986157707	VPLRGPOMQSWHOA-YHUYYLMFSA-N	218.384	4.949	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H](C)C1(C)CCCCC1	1995992053	UXKYBIPPMRVPOK-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H](C)C1(C)CCCCC1	1995992055	UXKYBIPPMRVPOK-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC[C@H](C)C1)CC(C)C	1996262670	FYMZBCLMMWZSJV-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@H]1CC[C@H](C)C1	1996271930	SZHYGRFMFFYMNA-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)C[C@](C)(O)C1CCC(C)(C)CC1	1996562979	ZLSIOBAXGQMSQQ-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)C1CCC(C)(C)CC1	1996595516	WIWPZHGRKJVLJJ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCCC2(CCC2)C1	1997044421	YWLRYFGNAKXOOE-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCC(CC)CCNC[C@@H]1CCC[C@H](C)CC1	1997102783	FIVPKHUZSBFXTA-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CCCC2CC2)CC1	1997105791	PJBZNIWKQRTUJG-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@H](C)C1(N)CC(C)(C)C(C)(C)C1	1997775331	CYWVKBOYQILNNC-CYBMUJFWSA-N	239.447	4.602	0	10	BJAE	
CCCCN(CC(C)(C)CC(F)F)[C@@H](C)CC	2000900762	QRCYVXBQQRYTGN-LBPRGKRZSA-N	249.389	4.568	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2002220997	PGFXFWVIUNTEJH-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@](C)(O)[C@@H]1CCCC(C)(C)C1	2003007484	QGNWCHYWNTUWMX-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
O=C1CCCCCCC[C@H]1C1CCCCCC1	2003071254	WVDFAEKMPUZLMK-HNNXBMFYSA-N	236.399	4.886	0	10	BJAE	
NC1(C2=CCCCCC2)CCCCCCCC1	2003097270	FFVDYPKRXQUANN-UHFFFAOYSA-N	235.415	4.709	0	10	BJAE	
O[C@H]1CCCCCC[C@@H]1CCC1CCCCC1	2003098706	HTHBLJFEQGKZNQ-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC)CCCCC1(C)C	2005583238	MQGIDUNQVXXUEB-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C[C@H](C=C1CCCC1)NC)C(C)(C)C	2007934699	MUOQBHDLAZUYFN-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@]1(C)CC[C@@H](C)C1(C)C	2009626266	FCCKWNPTMOBTMI-IJDKCUFDSA-N	237.431	4.523	0	10	BJAE	
C/C=C/CCC[C@]1(CNCC)CC[C@H](CC)C1	2009626381	FAZKOBFPUGIOND-KBKYZLAFSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCCCCCC[C@@H]1N	2009628163	MLNTZQMIYXAOJL-VNHAASDWSA-N	237.431	4.811	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](O)(CC)CCC(C)C	2013271058	ODUZQXVHERHXSB-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)c1csc2ccccc12	2015283223	BZPBPJAAFBYOOF-BXUZGUMPSA-N	248.391	4.617	0	10	BJAE	
CC(C)NC[C@@H](C)[C@@H](C)CC(C(C)C)C(C)C	2015411442	ZUXTYLQJFRHUOO-LSDHHAIUSA-N	241.463	4.575	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C(C)C)[C@H](C)N)CC1	2017720361	GLKKBOJJYCVERT-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CCCCC23CC3)sc1C	2017993708	ZUMUNTGZTWBWBS-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCCC1CCC(N(C)[C@@H](C)CC(C)C)CC1	2019296718	AMSLLPHSBQVCBT-FHERZECASA-N	239.447	4.712	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1ccccc1C1CC1	2021026991	MCKKCULILYRWRF-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2C[C@@H]2C(C)C)cc1	2022478714	WBKXLXHTEPCPGW-GDBMZVCRSA-N	231.383	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H]1CCC[C@H](C)CC1	2022556368	FMBUBODWYPEMHQ-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC1(N)CCCCCCCC1	2022562904	MNMBGYFKPPGXDT-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
C(CNC1CCCCCCCCC1)=C1CCC1	2023251524	ILGSLMHMUNGGOY-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCC(C)(C)C1CC1	2023322706	PQQFWJJQGOYMBF-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1N[C@H]1CC[C@@H](CC)C1	2025595727	GIQFJUNZTCCLEW-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H]1CC[C@H](CC)C1	2025611941	GHUNUCORLBYYDK-HRCADAONSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@@H](C)C1CC1)NC	2026168851	DFMBAFKIMGIVJD-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)c1ccccc1	2027313927	KQNTXQSWQOEFSG-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CC[C@@H](C)c1cccc2c(O)c(CC(C)C)oc12	2028132118	SGDRMGRUKCWXIU-LLVKDONJSA-N	246.350	4.850	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)c1ccccc1CC(C)C	2028915833	SXFUQUNETJNIRW-GRDNDAEWSA-N	247.426	4.567	0	10	BJAE	
CC(C)Cc1ccccc1[C@@H](N)CCC(C)(C)C	2028917254	AYSJGICHNHGRPN-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
CC1CC(C)(C(=O)c2ccccc2C2CCC2)C1	2029103527	ARCLSOJGFFUMAQ-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC1(C)C[C@H](NCCCC2(C)CC2)CC2(CC2)C1	2030289287	XANLWNDLMAPNIV-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1cccc(CC)c1)C(C)(C)C(C)C	2032340280	YHZDJZAOCNUFQM-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@H]1CCCC2(CCCC2)C1	2034371453	QCOGCVBROPNMFG-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
C1CCCC(N2CC[C@H]3CCCCC[C@@H]3C2)CC1	2036488781	JSNZGBGWMNORQA-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCCC1	2037130438	NRNZZYQNESMCJM-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](N)c1ccccc1C1(C)CC1	2037208445	YLGZOYMJAQYDSS-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CN([C@H]1CCC(C)(C)C1)[C@@H]1CCC12CCCCC2	2037682107	KIQZCUMYXMHYJH-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CC(C)(C)NC[C@]1(C2CCC2)CC12CCCCC2	2039003822	VAYTXKPXGXUGDO-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@H]1CCCC12CC2)C1(C)CCCCC1	2039871553	FBKDTUGPDVIJKT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CC(C)(C)C1)[C@]1(C)CC=CCC1	2042024755	OVSMNFFVVSRCIL-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(=O)c1ccccc1C1CC1)C1CCC1	2042271912	JMSZSWZFDSPACU-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H](NC1CC(C)(C)C(C)(C)C1)c1ccco1	2042335509	VUUXMNGTPHILRR-CYBMUJFWSA-N	249.398	4.535	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@H]1C=CCCC1	2043187205	KCMVUSQSUNKLCP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1	2045452266	ZMTVHAYHQRYVQJ-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCCCC23CCCC3)C1	2045519354	IGEZQBBSVGHPSW-OAHLLOKOSA-N	249.442	4.754	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)C1	2045561127	VPWIQDAYJQEMRW-WGIXJMRHSA-N	248.410	4.620	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCCC1	2045595015	AHFYXUICXCAFJP-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H]1CCCC[C@H]1CC	2045795797	BLTMDBWPYCRLNN-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)C1CC2(CCCCC2)C1	2046329838	ZADVMXOUDAFGSX-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
C[C@H](C[C@@H]1CCCCN1)C[C@@H]1CC12CCCCC2	2047020502	QATJRXYUHOYBLE-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
O[C@]1(C[C@H]2C=CCC2)CCCCC12CCCCC2	2047597279	UGVZHXZFEXTGEX-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2048473765	TYTJYYDTBWYBMD-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(NC2CCCCCCCC2)ccc1O	2049671785	HGHVIEWUFXZRHU-UHFFFAOYSA-N	247.382	4.616	0	10	BJAE	
O=C1[C@@H]2CCCCCCC[C@@H]2C12CCCCCC2	2049672193	KDYDAGURHKXQCA-CABCVRRESA-N	248.410	4.886	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@H]1CC[C@H](C)CC1	2049685210	XDAIFMSKAAIOIJ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc2c1ccn2C[C@H]1CCC2(CC2)C1	2049954880	PWBQMZMUOJJMLT-AWEZNQCLSA-N	239.362	4.530	0	10	BJAE	
C[C@@]1(CNc2ccc3ccccc3c2)C=CCC1	2049979265	MTUBNXVMWOWBEB-QGZVFWFLSA-N	237.346	4.608	0	10	BJAE	
O[C@H](CC1=CCCCCCC1)c1cccc(F)c1	2050451064	SUPOTHAADNDMIC-MRXNPFEDSA-N	248.341	4.530	0	10	BJAE	
N[C@@H](CCCC1CCCCC1)c1ccccc1F	2050493947	DCSYNCSQXQBSLG-INIZCTEOSA-N	249.373	4.576	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC[C@H]3CC[C@@H]32)c(C)c1	2052286552	LYUSYZYNFAPDCU-HRCADAONSA-N	243.394	4.602	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@]2(N)CCCCC23CC3)C1	2053314419	FIBOQQZRNOZZAN-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C[C@]1(CNC2CC2)CCCCC12CC2	2053353683	CMKUINJUBHYTAZ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@]2(CNC(C)(C)C)CCCC23CC3)CC1	2053362208	WCFVZAYXPRSTCS-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)C(C)(C)C1CCCC1	2053662999	UUYLAPMXPWSCOX-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@@H]2CC=CCC2)CC[C@H]1C	2055589096	SOEGEIKHARUKJP-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)CC1CC(C)C1	2056873099	KJEUNJSTIHCQOQ-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@](N)(C2CC(C3CCC3)C2)CC1	2057490268	DPRFSMIKMWTUHY-DQPZFDDXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@](N)(C2=CC[C@@H](C(C)(C)C)CC2)C1	2061113399	OJTSJDPRYYEXIV-CKEIUWERSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@]2(N)CCCC(C)(C)C2)CC1	2061121298	FGWIFUBHSUJOAH-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC(C)(NCC[C@@]12CCC[C@H]1C2)C1CCCCC1	2061571973	OADUGBKKOWIMTK-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(OCC[C@]23CCC[C@H]2C3)cc1	2061595518	HHTFJDMPVNGTSE-RDJZCZTQSA-N	244.378	4.769	0	10	BJAE	
CN[C@H](CC1CC(=C2CC2)C1)C[C@@H](C)C(C)(C)C	2061729981	CKXHLDHPOHSUDH-WBMJQRKESA-N	249.442	4.537	0	10	BJAE	
CCCCN(C[C@H]1CC[C@@H](C)C1)c1ccccc1	2063442660	NHPSXDPZQCFQME-CVEARBPZSA-N	245.410	4.729	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)CC12CCC(CC1)C2	2065338958	WPCLVWIEYNFDDA-LYSZQXJVSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H](C)[C@]12CCCC[C@@H]1C2)C1(C)CCCC1	2067519327	FFLICXCJHYGPSY-KLZNWCGWSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C(=O)c2cc(C)c(F)cc2C)CCC1	2069342242	NBESXVIVGCKTQN-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2CCCC3(CC3)C2)CC1	2069506450	CQXXZBSDVUSEBU-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2070310365	SKJJEAPPRVYPMO-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC1(C(C)C)CCC1)c1ccoc1	2071948288	DPAYGOCWNNLICB-OAHLLOKOSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CNC3(CCC3)C2)CC1	2072817697	GBDIUCMBPJTLBT-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@]12CCCC[C@@H]1C2	2074028181	FZRZHGIHYFZXBH-DJIMGWMZSA-N	249.442	4.502	0	10	BJAE	
CCCC1(C[C@@]2(N)C[C@@H](C)CCC2=C(C)C)CC1	2074557994	KHVZIJLLDTXPDT-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC(C)C[C@@H]1CCCN1[C@@H]1CCC12CCCCC2	2075010693	MWKWKOIACOGSES-JKSUJKDBSA-N	249.442	4.610	0	10	BJAE	
CN(CCCC(C)(C)C)CC1CC(=C2CCC2)C1	2075135865	HHHPKBJCYISSND-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)CCC2=CCCCC2)CC1	2075145316	FNOSBJGLTPMCSS-NVXWUHKLSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCCNC23CCC3)CC1	2076644815	NKDMWTXGTFMWNK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@H]1C[C@H]1C1CCC1)C1CCCC1	2079443046	MIUNOZKCFKSYJG-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2C[C@H]2C2CCCCCC2)C1	2079525971	CVAJNQWWBAZBQM-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCCN(C)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2081147862	KJIRNLQRWVHSGC-ZKISJWJVSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CCC3(CC2)C[C@@H]3N)C1	2082976516	RFRPWMHKSPRKFJ-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CCCCCC(=O)CCCCCCC1CC1	2210528371	DLJCUIPXQSCBTE-UHFFFAOYSA-N	224.388	4.886	0	10	BJAE	
CCC[C@H](C)[C@](C)(CCC)CN[C@H](C)CC	2212580605	QEZQMMWZHHUULY-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H](C)[C@H](C)CC	2212631432	PCHSXKOZJZNWGR-GHMZBOCLSA-N	239.790	4.749	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@H]1CC[C@H]1C	2214934390	OPKLNORXMOIOCY-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)C[C@@H](C)CC(C)(C)C	2215254924	QIYYWEUFSAKRDS-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)[C@@]1(C)CC=C(C)CC1	2215812039	HGTZTKXWDNZKIF-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCC/C=C/CNCCCCCCCC1CC1	2216861144	TZKIQXMLDBLNRP-RUDMXATFSA-N	237.431	4.683	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)C1CCCCCC1	2217147983	AZCUXAGKDLUVTJ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)CCCCC(F)F	2217155164	ZZXTVOPFPDDCHD-JSGCOSHPSA-N	249.389	4.616	0	10	BJAE	
N[C@@H](CCC1CCC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218351793	ZKISIRJZWQKHRH-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C1CCCC2(CC1)CCCN2CCCCC1CC1	2220019491	AYBKSDSAUNOEMW-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@@H]1CCCCC1CC1	2220043070	AZTGOZUQBDHXSB-CZUORRHYSA-N	243.394	4.630	0	10	BJAE	
CC1=CC[C@](C)(CN(C)[C@@H]2CCC(C)(C)C2)CC1	2221602169	PIZNVSYQQKJZIJ-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(CNC2CCC2)C=CCC1	2223604099	IFQBKLCUESTVCI-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@@H]1CCC12CCC2	2247311129	ORILSCOBMOZIQY-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)CCC1CCC1	2248807796	LCEYGTXCSUSTFS-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(CNc2cc(C)c(C)c(C)c2)cs1	2249486818	PGIBQESMLQBALD-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@@H]1C=CCCC1)NCC	2250373306	UAYNIEZKIQGRNX-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H]1CCCCCN1	2250476235	NUWOIOHYWRRTCR-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(=CC[C@@H](C)CCCC(C)C)[C@]1(C)CCN1	2250516952	MOFIJKSTODCIGN-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(NC[C@@]23CCC[C@H]2CC3)c1Cl	2251166610	JZJBFRYJJBCMIM-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCCCC[C@@H](NC)C1CC(CC(C)(C)C)C1	2251541527	FXRLVSYTNLQPNA-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251712258	MBJPOOCXYXOEQG-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CC1(C)CC(C)C1)[C@]1(C)C=CCCC1	2253770069	GDOGCNWVWDSQCM-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CCC[C@H](C2CC2)C1	2254598754	ROQXAPMYCAZYGI-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@@H](O)CCCC(C)(C)C)cc1	2256309262	GIOQTIIPXODOJX-INIZCTEOSA-N	248.410	4.889	0	10	BJAE	
CCCc1ccc(N[C@H](C)[C@@H]2CC23CCC3)cc1	2256453269	WCPKOFXIEGODHQ-CJNGLKHVSA-N	243.394	4.630	0	10	BJAE	
CCc1cccc(NCCCCC[C@H]2C[C@H]2C)c1	2257333435	YBISXPMQIREIFD-ZBFHGGJFSA-N	245.410	4.877	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNc1cc(C2CC2)ccc1F	2259115791	ILEIUIXUBJYOTF-RISCZKNCSA-N	247.357	4.551	0	10	BJAE	
CC1(C)CCC(NC[C@]23CCCC[C@@H]2CC3)CC1	2260552840	YANDKTSDEGJSDO-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2260677379	FIUXYNNKBDIXKI-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2300687556	DFKYYQUSHZCFHG-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
CC(=CCNC1CCCCC1)CCCC(C)C	2300865492	ODZJGLIPSNCDEO-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CC[C@H](C)C1	2300881571	SUTKPMWAJHFTGZ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C(=O)CC1CCCCCC1)C1CCCC1	2301144463	DRADITOPKQNTCA-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)CC1CCCCCC1	2301243776	FXTYUTWQNIRGKV-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCCC[C@H]3C[C@H]32)c1	2302994771	VOJAYTXVCLORRM-OUCADQQQSA-N	249.785	4.639	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)C1CCCCC1	2303469840	HEGBNCUYVSZHRF-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2C[C@H](C)CCC2=O)CC1	2303530428	CJTJORPQQLJSQD-DFBGVHRSSA-N	234.383	4.518	0	10	BJAE	
CCC1(CC(=O)c2cccc(C(C)C)c2)CC1	2303710322	XCACPSJGAIBYHJ-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCC[C@H](C)CC1	2307925750	JROPNFOSVMDAJV-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)[C@@H]2C[C@H]2C(C)C)cc1	2311525096	AUMVUHQFILLTAY-UHOFOFEASA-N	244.378	4.675	0	10	BJAE	
C[C@H]1CCC[C@H](N[C@@H]2C[C@H]2C2CCCCCC2)C1	2311538661	GFHTWZBFXIKNBN-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CC1)[C@]1(CNC(C)(C)C)CC=CCC1	2313587956	RBUAEPJNSZPPHR-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
O=C(CC1=CCCCC1)C(CC1CC1)CC1CC1	2313625829	ATEFJCTVAQIGOU-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC=CC[C@@H](NCC)c1ccc(C2CCC2)cc1	2316509289	HJAFSTKJROFHMD-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCC(C)=CC[C@@H](NC)C(C1CCC1)C1CCC1	2316534537	HEFGJRVUHYLXOF-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@@H](N)C1[C@@H]2CCC[C@@H]12)CCCC(C)C	2316569762	XQQJXCYMWBMFBO-BZUAXINKSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CCC)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317157942	RLAYXZKAOVFZHZ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H](C)[C@H](C)C(C)C)c1ccc(C)cc1	2317832113	SNRAWJUXCVLOPJ-ZMSDIMECSA-N	247.426	4.574	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H](C)c1ccco1	2317914371	BMJDIQFXAQGGRM-NSHDSACASA-N	247.313	4.715	0	10	BJAE	
CC(C)c1ccc(F)cc1NCC[C@H]1CC1(C)C	2317916959	DYAXKNGULLMPAU-LBPRGKRZSA-N	249.373	4.797	0	10	BJAE	
C[C@@H]([C@@H]1CC1(C)C)N(C)CCCC1=CCCCC1	2318595537	QNWHCSQDTUUIGB-HOCLYGCPSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C[C@H]2CCC[C@@H]3C[C@H]23)C1	2319297447	RHIFJZSUZNPZAG-DSJMHWKBSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCC[C@@H]2C[C@@H]21)C1CCCC1	2319753741	DSQPEOQDDKQWHQ-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CCC(C)=C(C)C1	2320237382	JPWVPGMQDWNDPD-BRWVUGGUSA-N	249.442	4.824	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)C1CC(C)(C)C1	2320388581	RGTMGVHSPWTMAN-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1[C@H](C[C@@H]2CCC(C)=C(C)C2)CC[C@H]1NC	2320388820	UKZDNSMLGKFVHM-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1	2321091048	HBGIYZNWAUWETN-BFQNTYOBSA-N	249.373	4.625	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)C12CC(CC(C)C)(C1)C2	2321585081	UHHGPUVKJRPIBD-OTBWCIGPSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](CC[C@H]2CCC(C)(C)C2)CC1	2321650137	IXAGPMXQEINOKS-JYJNAYRXSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cc(C)ccc1C(C)C	2327698038	XIFZIBUCXHEYSX-WMLDXEAASA-N	247.426	4.945	0	10	BJAE	
CCCC(CCC)N[C@@H](C)c1ccccc1C	19992410	MSJREVFBRONNSS-AWEZNQCLSA-N	233.399	4.614	0	10	BJAE	
CCCCCCN[C@@H](CC)c1ccc(C)cc1	21063232	GFGCJALFSBYBQA-INIZCTEOSA-N	233.399	4.616	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCC[C@@H](C)C1	21801386	RZMYDRPQLDAOQH-ZWNOBZJWSA-N	237.774	4.639	0	10	BJAE	
CN[C@@H](CCC(C)C)c1ccc(CC(C)C)cc1	35459591	ONKOGZCMXXQCNR-KRWDZBQOSA-N	247.426	4.582	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)c1cc(C)ccc1C	36792112	ZGXQSOYZRVCHDY-CVEARBPZSA-N	247.426	4.923	0	10	BJAE	
CCCCC/C=C\CC/C=C\C=C\CCCO	40449504	AHUWGXXXQILFPZ-BFMSGXKYSA-N	236.399	4.788	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1cccc(F)c1C	70978216	PEEIYIJNFPLWOR-WFASDCNBSA-N	235.346	4.515	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H]1CCC[C@H](CC)C1	71155693	GFFUIFSXEZGXAG-BHYGNILZSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1CCC(C)(C)CC1	79624919	NVJSKRRTVJRUCJ-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CCC(=O)c1ccccc1	80385398	PTVADKOBWLVGCQ-HUUCEWRRSA-N	244.378	4.866	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](Nc2ccccc2)CC1	86921988	YRGJSBDYLCIZPN-ZBFHGGJFSA-N	231.383	4.703	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H](CC)CCCC	87649089	UGALIDHAHOXACY-CABCVRRESA-N	228.420	4.924	0	10	BJAE	
Fc1cccc2c1[C@@H](c1ccc(Cl)cc1)CC2	91356053	IXZKVGAIBVBOLT-CYBMUJFWSA-N	246.712	4.557	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@H]2CCCC2(C)C)c1	94306665	NASMNDUSJVHUNU-HOCLYGCPSA-N	245.410	4.533	0	10	BJAE	
CCC(CC)C[C@H]1C[C@@H](C)Nc2ccccc21	94677438	KODGYKZKHRVZQQ-TZMCWYRMSA-N	231.383	4.801	0	10	BJAE	
CC(C)c1ccc([C@H](N)CCC(C)(C)C)cc1	95777585	LWWQKFLKRAIZIK-OAHLLOKOSA-N	233.399	4.636	0	10	BJAE	
CC1(CN[C@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1	111619816	JQYUYRDXPXJUTK-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C1CCCCCC1	124202357	CPQNQVFLAZSADY-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)c1coc(C)c1	130198516	GZYKRRFIUJKAAK-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
C[C@H](N[C@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCCC1	149542939	ZOXJDKDFAQXUTQ-SVGFKBNWSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccc(C2CCCCC2)cc1	150226689	AEWHUPMFQAHCQR-UHFFFAOYSA-N	202.341	4.687	0	10	BJAE	
CC(C)(C)CC(=O)c1ccc(C2CCC2)cc1	157629640	HIPIVEIMKFMDLG-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)c1sccc1C	161350108	DLQYHFVCFQOVJC-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
CC(C)CCCNc1ccc(Cl)cc1Cl	165173497	MQBRQJJEBGROLD-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
CC1=C[C@H]([Si](C)(C)C)C=C[C@H]1[Si](C)(C)C	195990958	QOZWKQQNRNOUAR-CHWSQXEVSA-N	238.523	4.919	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC[C@H]2C(C)C)ccc1F	214596907	KAQIKDFXEDARMR-GOEBONIOSA-N	249.373	4.761	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccccc1Cl	221645831	CFDXCNYUQZHVPT-SUNKGSAMSA-N	237.774	4.577	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)(C)C)[C@H](C)CC	228811858	ZWHJNKXYQWBZND-CJNGLKHVSA-N	247.426	4.681	0	10	BJAE	
CCc1cccc([C@H](N)CCC2CCCCC2)c1	228848991	BEWCPMDRLFELDD-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCC1CCC(C(=O)C2(C)CCCCC2)CC1	232912526	SAAMBRMHILEOFM-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CN[C@@H](C)c1ccc(C(C)C)cc1	232971158	GYBAQRXRBILAIY-AWEZNQCLSA-N	247.426	4.897	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H]1CC[C@@H](CC)C1	233136714	WNJRMVDXDOBXRT-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@@H](C)c1ccccc1	233524295	DDVYFARBGGAKCH-YOEHRIQHSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC)C[C@H]1C[C@H](C)CC	250887146	VWXKABNQUKDKAF-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1csc([C@H]2C[C@H]3CC[C@H]2C3)n1	252850518	HOPLPBMVOPCWBZ-RHYQMDGZSA-N	235.396	4.560	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)CCCC(C)(C)C	300812050	FZCYPQYGIAHQOA-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H](C)CC(C)C	300997521	WORKKLOJTDCNCX-ZIAGYGMSSA-N	226.404	4.844	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1C)[C@H](C)CC(C)C	302569898	OVVWTIIIDKHIBW-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
Fc1c(Cl)ccc2c(C(F)F)csc12	306685217	IVEVIKUUJZOBFF-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
C[C@H]1CCCC[C@@]1(C)NCC1(C)CCCCC1	308710082	MQHHTWJBDNEASX-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(CNc2ccc(C(C)C)cc2)cs1	310161808	ISRJCDPRUUHVLJ-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CC(=O)CC(C)(C)C[C@@H](C)C1CCCCC1	310353673	RHZHPRYQDTYHCR-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC1(CCN[C@@H]2CCC23CCCCC3)CCCC1	311004937	IZBJNBSMHRSNRH-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cc(C)ccc1Cl	313395379	OQZOYHHMYCJNLC-SMDDNHRTSA-N	240.774	4.508	0	10	BJAE	
CCCCC[C@@]1(CNC2CC2)CCC[C@H](C)C1	317805098	SMCNWMNOWXMRAH-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CC1(CNC(C)C)CCC(C)(C)CC1	318126503	WPPPQTZJZURATP-VOTSOKGWSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](N[C@H](C)c1ccc(C)cc1C)C1CCC1	322613147	CVSDMVPVCCKFCN-RHSMWYFYSA-N	245.410	4.533	0	10	BJAE	
CC(C)(C)CCC(=O)CC/C=C/c1ccccc1	323831162	UFBCGORXKHVNMO-YRNVUSSQSA-N	244.378	4.875	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC12CCCC2)c1cccs1	328229036	CJCDCTSJJOVOJK-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C1CCCCCC1	379953475	CKLXKLCPNVIAJK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C(=O)C[C@H](C)C2CCCCC2)cc1	380923648	COOPDNZLLDCJQU-AWEZNQCLSA-N	244.378	4.784	0	10	BJAE	
CC(C)CCCCCNC1CCCCCC1	383176293	LZLXIPKPDSAXQP-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC1(NCCCCCC(C)C)CCCC1	383182928	VHVLNJWXVXIEKZ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC1CCC(C)CC1	383560951	BVDLKURWHZRNPI-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC[C@H](O)c2ccccc2)C1	385173897	HOXKAWCTHIHMBG-VYDXJSESSA-N	246.394	4.717	0	10	BJAE	
CCCN[C@@H](CCC)c1ccc2sccc2c1	386510887	BXIJDQRXQNSMRG-AWEZNQCLSA-N	247.407	4.742	0	10	BJAE	
Cc1cscc1N[C@H]1CCCCC12CCCC2	387199648	NYQFQTOOBUQXHS-AWEZNQCLSA-N	249.423	4.971	0	10	BJAE	
CC[C@H](NC(C)(C)CC(C)(C)C)C1CCCC1	387528704	LWOCZWLWMYIBDR-AWEZNQCLSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@H]1C[C@@H]1CC	387697066	ZRZSWAUZPSIZOB-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCC1(CNCCC2CCCCCC2)CCC1	394557160	DCDQIGMMQYJZFQ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H]1CCCC[C@@H]1C	395042584	NXWAVWGVHVILAT-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
CC[C@](O)(c1ccc(C2CCC2)cc1)C(C)(C)C	395457677	HPTUNUFEOGVXOL-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C[C@H]1CC=CCC1	402209844	MHBKZGYXMNYRHL-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC(C)(CCC(=O)C1CCCC1)c1ccccc1	686743205	ZHKQGAKJMVPTQG-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCC1([C@H](O)C[C@H]2CCC[C@H](C)C2)CCC1	686921479	DZLXOIYKYGGPTP-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC1CCCCC1	691181961	CIBUBHSIIUKEOL-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
C[C@H]([C@H](N)c1ccc2sccc2c1)C(C)(C)C	691870193	ZVBKNYIDJWEBRQ-YGRLFVJLSA-N	247.407	4.583	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccc(Cl)s1	696653017	AMJSZADLLNXPPF-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CCCCC1(C)C	697825049	DKYDIRZVSDOMGS-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCC=C(C)C)C1	697836273	QDZTWNJHCJVLBV-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CC(C)=CCCCCc1c(F)cccc1F	698010829	TZLDUSABJDIGBP-UHFFFAOYSA-N	224.294	4.644	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	699136566	SXGIUPAJFJMTEX-RSUWNVLCSA-N	238.415	4.700	0	10	BJAE	
CCCCC1CCC(C(=O)C(C)(C)CC)CC1	701317821	HIHUBJVVZPURMU-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)[C@@]2(C)CC2(C)C)cc1	702140200	DINZVWXXDMSFPI-SJKOYZFVSA-N	244.378	4.819	0	10	BJAE	
CC(C)C[C@@H](C)[C@]1(N)CCCC12CCCCC2	704433642	AGXZTQXXXJWYCF-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H](C)CC(C)(C)C	704739435	WBUABOSWPIIBAR-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)NC[C@H](C)CC(C)(C)C	709148567	UITBDJUVTUVYQB-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@H](C)CC(C)C	709177979	PKSYTSOHQPANMR-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1[C@H](C)NC[C@H](C)CC(C)(C)C	709186846	JGLMYKAFLGTFFS-HIFRSBDPSA-N	247.426	4.718	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H](C)CC(C)(C)C)c(C)c1	709266402	WCOQFPLRPVNRCD-CQSZACIVSA-N	246.394	4.867	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@]12CCCC[C@@H]1C2	710468709	MFXQBEAFAXPVBF-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C[C@H](NC)[C@H](C)CC(C)C)C(C)(C)C	711091474	AANMYFXDMSKKSR-KFWWJZLASA-N	241.463	4.719	0	10	BJAE	
CCc1cccc([C@H](N)C[C@@H](CC)C(C)(C)C)c1	711121612	PINRNUBBPZFTBR-HZPDHXFCSA-N	247.426	4.711	0	10	BJAE	
CCNC[C@@H]1CCCC[C@@H]1CCC(C)(C)CC	711293883	KXJAMZCJJJUWHO-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@H]2CCCC[C@H]21)C1CCCC1	712521947	KGYFQGKGZKVPDO-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CC(C)(C)CC[C@@H]1C	713055675	BFJUIPXCKGTKSE-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
C1CCC(CN[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1	714303072	IHONOZVTAPLHMM-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCCNC/C(=C/[C@]1(C)C[C@H]1C)C1CCCCC1	714599058	WROLKBFNBQKQBM-RQFZTJQSSA-N	249.442	4.539	0	10	BJAE	
CCOc1cc(NCCC(C)=C(C)C)ccc1C	718506945	OWITWUQUUVWGGU-UHFFFAOYSA-N	247.382	4.552	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCCCCC1(C)C	719260646	NOALXVWLVQRGAJ-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
C[C@H](C[C@]1(O)CCCCCC1(C)C)C(C)(C)C	719283017	BPARFOMAPBTZIV-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)C[C@@](N)(CC)CC1CCCCC1	720358504	MTLRAFGQHVXVKD-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1C[C@@H](C(C)(C)Br)CC(C)(C)C1	725261329	HNMAVCHNTCFHKF-NXEZZACHSA-N	247.220	4.622	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccc(C3CC3)cc2)[C@H](C)C1	821906482	VGUKGGNJNHTWHS-PBFPGSCMSA-N	243.394	4.801	0	10	BJAE	
CC(C)CCCN(Cc1ccccc1)C(C)(C)C	1168018481	QRIRZMDKBVWNMI-UHFFFAOYSA-N	247.426	4.723	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCC[C@@H]1CC	1900701266	LDQUDLHUMHUSKZ-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@](C)(CC=C(C)CC)CNCC	1900823372	QGGKOLXBAWXIGW-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CCC[C@@](N)(CC)CC[C@H]1CCC(C)(C)C1	1903404206	OZFFTEDNDLUELX-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@@H](CC)CCC	1905430985	GDUZTWMFKDXZTD-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](NC)C(CC)(CC)CC	1910783178	XIMFUJBCTOOXFT-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC=CCCc1cc2c(cc1Cl)CCCC2	1912023303	JYKYGGDDBAHHPW-UHFFFAOYSA-N	234.770	4.728	0	10	BJAE	
CC1CC(C[C@@H]2CCCCCCCC[C@H]2O)C1	1913386498	MWTCLZRTXMIIEG-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H]1CCCC12CCC2	1921585838	JNDGEOQLYLLZMV-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
FC1(F)CC[C@@H](CC[C@@H]2C=CCCC2)C1	1932607205	PKIRDFWBCLNMEO-VXGBXAGGSA-N	214.299	4.558	0	10	BJAE	
Cc1cscc1C(=O)CC1CCCCCC1	1938821144	BKQPPIBNXCKFJP-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
C[Si](C)(C)CCNc1ccc(C2CCC2)cc1	1941332823	LPLPQDXSMLWKLX-UHFFFAOYSA-N	247.458	4.704	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1CCC[C@@H]1C)NCC	1944819559	LGHLZAZMTATTPM-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@@H]1CCC[C@H]1C	1944844946	CZTPRDHQSZAIJD-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCCCCN[C@H]1CCCC2(CCCC2)C1	1946455088	KTYAKVTVXUNMNG-HNNXBMFYSA-N	237.431	4.659	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)[C@H](C)CC(C)C	1948324468	AAMADTWHJRYVGP-DGCLKSJQSA-N	237.362	4.617	0	10	BJAE	
CCCN[C@H]1C[C@@H](C(CC)CC)CCC1(C)C	1949652517	DWHKLDLFUJOZKS-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC1CC(C)(C)C1	1949734033	NHVZWLWGZUBWQV-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C[C@@H](N)CC1CCCCC1	1949907338	MOTFMDCUVUZRCU-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
Cc1c(Cl)cccc1NC1C[C@H]2CCC[C@@H]2C1	1950291465	CDAQDNSHQLUOTF-VXGBXAGGSA-N	249.785	4.639	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)[C@@H]1CCC[C@@H](C)CC1	1950924199	KMKAAIXALWSPRS-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)C(=O)CCC(C)(C)CC	1958161112	ZCDGABFSLZZVDJ-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CC(C)=CCC(=O)c1ccc(Cl)c(Cl)c1	1961407354	TZMOCURGDJKUNW-UHFFFAOYSA-N	243.133	4.532	0	10	BJAE	
CC(C)c1ccccc1COc1ccc(F)cc1	1968269384	ANUZMHNVTMYDDG-UHFFFAOYSA-N	244.309	4.528	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CCC23CCC3)cc1	1968275296	IIINBGCRXPYIOM-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
Cc1ccc(OCC2C[C@@H](C)C[C@H](C)C2)cc1C	1968307667	NSJLTTXGBOERHY-STQMWFEESA-N	246.394	4.755	0	10	BJAE	
Cc1c(F)cccc1NC(CC1CC1)CC1CC1	1968649606	ZNJGFLHCYRVIDM-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCC[C@@H](N[C@@H](C)c1ccccc1)[C@@H]1CC1(C)C	1969249941	KUFAWCVJPGNJMZ-CWRNSKLLSA-N	245.410	4.552	0	10	BJAE	
C[C@@H]1CC[C@H](NC2CC3(CCCCC3)C2)C[C@H]1C	1972429696	GOBMGWRMXDKLJI-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCSc1ccccc1NCCC=C(C)C	1975970289	ZZPZOPFUPCUXOQ-UHFFFAOYSA-N	235.396	4.567	0	10	BJAE	
CC(C)CCC[C@H](N)c1csc(C(F)F)c1	1978581388	YBKOVEWRRCWUNR-JTQLQIEISA-N	247.354	4.512	0	10	BJAE	
CCC1CCC([C@@H](C)Nc2ccsc2)CC1	1980227461	QVQOCFBNXQHWMJ-PNESKVBLSA-N	237.412	4.765	0	10	BJAE	
CCCN[C@@H](C)C(C)=CC(CCC)CCC	1981294770	ZYVXDONQILGJAK-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CCC(C)(C)C	1986966956	JPLOHAGGKYXGQQ-AWEZNQCLSA-N	227.436	4.569	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC[Si](C)(C)C	1990877614	RGRVGNVOZCPIDH-AWEZNQCLSA-N	243.511	4.615	0	10	BJAE	
CC1CCC([C@](C)(O)CC(C)(C)C(C)C)CC1	1996545736	BSVAJGUCLRGLMJ-ZBCRRDGASA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)C1CC(C)(C)C1	1998645383	JRDIHJMDFLWHOO-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CCC[C@@H]1CCC=CCCC1)C(C)C	1999991908	DJRCQKDZENRVHE-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](N)C[C@H](C(F)F)C(C)(C)C	2002425759	KHMOLRQTFRHGQM-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
CCCC(CCC)C(=O)C1[C@@H]2CCCCC[C@@H]12	2002782730	SDAXRTHKLHFDRE-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC([C@H](C)NCC[C@@H](C)CC)CC1	2002930805	YTWRYXLCOYKWAK-FXQLRMTLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CCCC2CCC2)C1	2002984157	OBQFBKQLGUZAJH-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(O)[C@@H]1CCC[C@H](C)C1	2002999136	QNQRKJBBVOELJC-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CN(CC1(C)CCC1)C1CCCCCCCC1	2003168898	XFODOXDWNNGJNS-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCCC1CCC(N)([C@H]2CCC[C@H]2C)CC1	2006767384	YNUZRAULUSEIBA-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCCN(CCC(C)C)C1CCCC1	2009576363	YRNJPDHMOBUJQR-SNAWJCMRSA-N	237.431	4.633	0	10	BJAE	
CC=CCCC[C@@]1(O)CCCCC12CCCC2	2009588764	AVHCKCCGVWCSFV-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H]1CCCCC[C@H]1NCCC	2009616102	FZXJWNQNBXFEHP-KADIJHKTSA-N	237.431	4.681	0	10	BJAE	
CCCCC1CC(O)([C@@H]2CCCC[C@@H]2CC)C1	2009713556	BTERZFQXQKWXEW-PWUWZPNHSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCCC[C@@H]2C)C1	2009716362	SAJJYVMSAKGOFN-SLTXQBBLSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC=C(C2(N)CCCCCCC2)CC1	2010742720	JTYBAHJIZUIGTM-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCCCCCC(=O)CC12CCC(CC1)CC2	2012803964	OXJPHNNAJYGZRI-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
C[C@]12CC[C@@H](Nc3ccc4sccc4c3)[C@@H]1C2	2013042498	OKHQZTMXJDZKDK-GZBFAFLISA-N	243.375	4.502	0	10	BJAE	
CC(C)c1ccccc1-c1cscc1[C@@H](C)N	2013610929	ILMUWUXNEIBODM-LLVKDONJSA-N	245.391	4.558	0	10	BJAE	
CC(C)C(CC=Cc1ccccc1N)C(C)C	2015340869	WSPCZJSJVSAXTR-UHFFFAOYSA-N	231.383	4.600	0	10	BJAE	
CC(C)C(C[C@@H]1CC[C@H](C)CCC1=O)C(C)C	2015389338	USWRFCCSKYUDEI-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CC(C)CNC[C@@](C)(C[C@H](C)C(C)C)C(C)C	2015403038	XISDWBVHWNJKSV-JKSUJKDBSA-N	241.463	4.577	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CC[C@H]1C1CCC1	2017043915	QWADFUMDRVXDTG-DZGCQCFKSA-N	249.785	4.639	0	10	BJAE	
CC(C)C1(CC(=O)[C@H](C)CC(C)(C)C)CCC1	2017129900	VJWHQFVCDYAROS-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H]1CC[C@H](C)CC1	2017477223	GBVOCQWOQRIQOQ-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC)C[C@H]1CC[C@H](CC)CC1	2017728495	MIIADNKZDPIRPB-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C2CCCCC2)CC1	2017770522	HXMKEGWOIDDLFT-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1CC[C@H](CC)CC1	2017773046	VENLTCYJFIZBPV-SHTZXODSSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)N(C)CC1(C(C)C)CCC1	2018180763	ACESVZXAMDUFCL-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H](C)CC(F)F	2018188811	PNMAUPKQTRHGCH-OLZOCXBDSA-N	249.389	4.568	0	10	BJAE	
CCCCCN(C(C)C)[C@@H]1CC[C@H](C)[C@H](C)C1	2019124890	VEOJCNODYVRTPT-ARFHVFGLSA-N	239.447	4.712	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C[C@@H](C)C1CC1	2019683334	JRSLLDAJCAZGFR-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CCC1=CCCCC1	2019767852	MDLQCTPFICEQJH-GOEBONIOSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@H](CC=C2CCC2)C1	2023204505	KULYODFZPOFIEE-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCNCc1cc(C)c(C2=CCCCCC2)s1	2023677969	WKCFFGVQGNTANU-UHFFFAOYSA-N	249.423	4.514	0	10	BJAE	
CCC1CC(C[C@@H](CCC(C)(C)CC)NC)C1	2025433144	OZDDWUFNWNGEMF-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)c1ccc(C(C)C)cc1	2027732799	RJSRRZHROLWTTH-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)[C@@]12CCC[C@H]1C2	2027844201	XQBPNDADOFANHF-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@H]1CC2CCC1CC2)c1cccc(N)c1	2027955506	CJTRJLOFLJZXIU-USPMSXPRSA-N	243.394	4.589	0	10	BJAE	
C[C@@H](C[C@@H](N)c1ccccc1C1CC1)C(C)(C)C	2028561269	YQQBUFMBNHCOJW-BLLLJJGKSA-N	245.410	4.636	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1ccccc1C1(C)CC1	2028576537	JCBCJGKIKAWCGV-CYBMUJFWSA-N	244.378	4.603	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)c1ccccc1C1CC1	2028576671	QWKOZAWFNPWYQK-JSGCOSHPSA-N	242.362	4.573	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CCCCCC2CC2)c1	2028631708	RJYVMEYTFSLPBV-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
C(CCC1CC1)CCN1CCC[C@H]2CCCC[C@@H]21	2028638165	XOKMNDRZOAELCM-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H](NCC1(C2CCCCC2)CC1)C1CC1	2029746366	ZHUZDAZUIVGZOQ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)c1ccc(C2CC2)cc1	2029822179	AMHRNOVCRNLXER-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CN[C@H](CCC1CCC1)[C@]12CCCC[C@@H]1CCC2	2031760129	KKTKIODTHORAFX-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)[C@]23CCCC[C@@H]2CCC3)c1	2031850500	KDQHIVHGOPOIPG-WBVHZDCISA-N	242.362	4.538	0	10	BJAE	
CCC1CCC(=C2CCNC[C@@H]2CC(C)C)CC1	2032491499	ULADUWPNWWIJQF-WMCAAGNKSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@H](C[C@H]2CCC[C@H]2C)Nc2ccccc21	2032514374	MKYAVKPPAAZYNM-KBUPBQIOSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)C[C@@H]2CCCC[C@@H]2C1	2034162203	RTLIJLGKAPZBKW-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@H]1CCCC[C@@H]1C	2035577473	ZMIYFBWTBMRXEZ-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@@]1(CC2CCCCC2)CC12CCCC2	2036107935	RZTRNQZRBVEGCD-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCC[C@H](NC[C@H]1CC12CCCC2)C1CCCC1	2036130839	XSGSUPAAYYQIJU-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCC=Cc1ccccc1)CC(C)C	2036961381	GNVQMYCFSKTWQP-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)CC1(C)CCCC1	2037105827	SLSVUEGAMZVXSB-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(C)c([C@H](O)[C@@H]2CCC[C@@H](C)CC2)c1	2039358879	GFJNMJNLSQQJBQ-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CCC[C@](CNC2CC2)(CC2CC2)CC1	2039375302	JNVDPKVLMDWUDV-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC(C(=O)CCCC3(C)CC3)C2)C1	2039421090	JFBACCJMUDXQNQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1cccc(C)c1C	2039447869	QBOQXZNNYDQSDW-GOEBONIOSA-N	243.394	4.708	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@@H]2CC23CCCC3)C1	2043002623	PMGDVEKQPQSTDI-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@@H](C)CC1=CCCCC1)[C@@H]1CC1(C)C	2043186887	HWZYFAONJYFFRK-BPUTZDHNSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@@H]1C(C)=CCC[C@@H]1C	2045811206	UUNHLFONDORRLA-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
C1=CC[C@H](N[C@H]2CCCCC23CCCCC3)CC1	2047587781	VAMRQRADCJBSNJ-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H]2[C@H]3CCC[C@H]32)CC1	2048441274	JUMYDCHGJDYGOF-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C=C(CN)C2CCCCC2)C1	2049515258	PITHDBGJNDKCAW-CQSZACIVSA-N	249.442	4.668	0	10	BJAE	
O=C1CCCCCC[C@H]1CCCc1ccccc1	2049700754	KWOBBBUZHUZZFQ-INIZCTEOSA-N	244.378	4.549	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC2CCC3(CC2)CC3)CC1	2049940040	IHSFRDIBPNCQSC-CTYIDZIISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)C1CCC2(CCC2)CC1	2051646622	UKQUWLKWFUUIDJ-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CC=C[C@](O)(C[C@H]2CCC=CCCC2)C1	2055085565	KPGCPUJQEBWORM-IXDOHACOSA-N	248.410	4.620	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(CF)cc2)CC1	2055678636	SYJNZFAOAZOMGC-DZGCQCFKSA-N	249.373	4.927	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@H]2CCC[C@H]2C(C)C)c1	2056449342	IONXAPZHHRWMGF-GJZGRUSLSA-N	244.378	4.558	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H]1CCCC1(C)C	2056878868	NYAZIODEPLIRBA-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C=C1CCCC1)C(C)(C)C1CCCC1	2056880353	BHYWQDBDIKWQRO-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C2CC(C3CC3)C2)CC1	2057826730	NROYLDGIVBDDQU-LHUBUQBQSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(Cl)c1SC(F)(F)F	2059094184	HBXHIPQJEQTDJT-UHFFFAOYSA-N	240.677	4.514	0	10	BJAE	
CC=CCCC[C@H](NCC)C1[C@H]2CCCCC[C@H]12	2059250079	NGAYHSQVLLMXPW-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(Nc2ccc3c(c2)CCCC3)C1	2059393030	ZRSVFLCNFSZNTK-UHFFFAOYSA-N	243.394	4.556	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)c2ccccc2)C1	2059394900	CTPXIQJGKNVTIB-UQPPLGOBSA-N	245.410	4.696	0	10	BJAE	
O[C@@H](CC1CC(=C2CC2)C1)C1CCCCCCC1	2061692040	WKUOYBFFHAEDLJ-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1CC(=C2CCC2)C1	2061699874	QSYIMAGEYXUEPK-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC(C)(CC(=O)CC1C[C@H]2CCC[C@@H]2C1)C1CC1	2063422338	DDDNCVSQXLZLLE-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
N[C@H](C[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCCC1	2063476863	MSCYDUFYIFMAEF-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@H]1CC)c1occc1C	2063677050	FBYYXADQXOBVTD-ILXRZTDVSA-N	249.398	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2CC3(C2)CC3(C)C)C1	2064132279	JBWQZVNNCKIBPN-YRFCHQJDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCCC1=C(C)c1ccc(CN)cc1	2067352388	JIFYUKGJNNQYLX-HNNXBMFYSA-N	243.394	4.519	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@H]1C)C1=CCCCCCC1	2071509358	AZSLHJGOQGGSBJ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CC[C@H]2C2CCC2)CC1	2071800605	UINPKUYTJDTEGG-YZUHTNEWSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CCC[C@H]3CC[C@H]32)CCC1	2071940128	HSPDXPOTYNKCRA-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CN1CCCC[C@H]1C1CCCCC1	2072409607	ONMCUALPUSADQM-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)C[C@H]1CC[C@H](C)CC1	2072793366	JMSFORJJQLKGBD-ZZTPXLKCSA-N	249.442	4.523	0	10	BJAE	
CCC1CCC(C[C@@](C)(N)C2CC3(CC3)C2)CC1	2072804351	RBHMOTIXKQCVQK-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H]2CCc3cc(N)ccc32)CC1	2072815570	NMPAOZKKXUROCP-MGPQQGTHSA-N	243.394	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](COc2c(C)cccc2C)CC1	2072878577	OKFZNOFZEKKLAV-WKILWMFISA-N	246.394	4.899	0	10	BJAE	
CCN[C@H](C[C@]12CCCC[C@H]1C2)C1(C)CCCC1	2074025537	OYZSMVPBXGDJSR-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCCCCN(CC=Cc1ccccc1)C(C)C	2074922820	RWGOPTXSRCGDQC-UHFFFAOYSA-N	245.410	4.600	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2077189451	IFXLWEJHLICEBS-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1Nc1ccccc1C1CC1	2077261748	DHNRRXAXRGPYHI-HOCLYGCPSA-N	243.394	4.801	0	10	BJAE	
CC1CCC(N)(C[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079669269	GBKCYEJQUGJOOA-CBUUIXETSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@@H]2C[C@@H]2C2CCCC2)C1	2079851384	KVRWCWAIMNDYCE-GDBMZVCRSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC[C@]12CCC[C@H]1C2	2081777507	FEYZFPAVPQGKAE-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](CC2(N)C[C@H]3CCC[C@@H]3C2)C1	2082974478	ZTPXCPZIDQKDDC-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC(=CC2CC(C)(C)CC(C)(C)C2)CN1	2082987380	QGVWQUIZCUKJFA-ZDUSSCGKSA-N	249.442	4.537	0	10	BJAE	
CCCC(N)(CCC)c1cccc(C(C)(C)C)c1	2083543177	FDRNGNPVILYBQH-UHFFFAOYSA-N	247.426	4.738	0	10	BJAE	
CCCC[C@H](CC1C2(CCC2)C12CCC2)NCC	2083572468	WLDFAXSYTXUUSM-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCCCC(=O)CC1CC2(C1)CC1(CCC1)C2	2083606686	WONKVJXEQPTHIH-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C[C@@](O)(CCCCCCC1CC1)CC1CCC1	2213578939	BKDWWBQCEHTIQD-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@H]1C=CCCC1	2213581627	YWHHDIIFLQADDH-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
C[C@H]1CCC[C@H](NCCCCCCC2CC2)C1	2213581986	CMIYXRVERRNXRQ-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
C(CCCC1CC1)CCNCCC1CCCC1	2213583099	OLPVMMGBTDNBRY-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC(C)(C)CCC(=O)C1(C)CC2(CCC2)C1	2215374782	MQWYPGWITPYBRA-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CC1(C)CC(C)(C)C1	2215396399	SAWYLJIFAOLDSY-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](C)(CNC1CCC1)CC(CC)CC	2217140393	QEFVRAOQPSPOMA-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCC/C=C/c1ccccc1)C(C)(C)C	2219096156	SOMIPQMXALDJIM-LRFDDAOPSA-N	245.410	4.504	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H](C)C2(C)CCCC2)CC1	2221641442	VNUIQTKGEQOION-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](CN[C@@H]2CC(C)(C)CC[C@H]2C)CC1	2221667509	UVCSZIBVWFFUEU-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)[C@@H]1CCCCC1(C)C	2221993172	IGINPLCIRCYDEB-HOCLYGCPSA-N	245.410	4.520	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)C1C[C@H]2C[C@@H]2C1	2223117292	JXKNVJTVNICONR-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H](C=CCCCCCCC2CC2)CN1	2223132229	HMZBYYRQASMMHK-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@H](C)[C@H](O)CCCC(C)(C)C)cc1	2223969340	WBGFJMQTRKXTNF-GDBMZVCRSA-N	248.410	4.676	0	10	BJAE	
CCCC(CCC)[C@H](O)c1ccc2occc2c1	2224133343	VLRWKEJMQQFQAO-INIZCTEOSA-N	246.350	4.683	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)c1ccc2occc2c1	2224175644	FGJJMJBKCBHHBT-CQSZACIVSA-N	245.366	4.505	0	10	BJAE	
Cc1cc(NCC[C@@H]2CCC[C@@H](C)C2)cs1	2242777673	QQTVHZSLLVEADM-YPMHNXCESA-N	237.412	4.685	0	10	BJAE	
C1=C(CC2=Cc3ccccc3C2)CCCC1	2243246133	XGMGFNIVTFRHRU-UHFFFAOYSA-N	210.320	4.517	0	10	BJAE	
CC(C)(C)CC(=O)c1ccc(C2CCC2)s1	2244712065	KVBONQCAEUTMLD-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CCC[C@H](CC)C(=O)CCCCC(C)(F)F	2244784540	UESQMPUASQZLAZ-NSHDSACASA-N	234.330	4.597	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H](CC)CCC	2244785582	QTOZYIXDBWUGQK-ZNMIVQPWSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@H](CC)CCC	2244799421	BKJXJTQRVBNDPN-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC1CC(C)(C[C@@](C)(N)C2(C)CCCCC2)C1	2246517705	DQZNNCVHDSVJJY-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CC1CC(C)(CC(=O)[C@@H](C)C2CCCCC2)C1	2246523135	GWKDBSYMBFXYBB-UYJPIKCFSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCC[C@@H](O)[C@H](C)CC(C)(C)C	2247166525	PPYLQPTVDYCMLY-GBJTYRQASA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CC1=CCCCC1	2247525722	PYPZFKNWVRNNIJ-GJZGRUSLSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CC)c1cc(C)c2sccc2c1	2248577303	JCFZWVSQIYPOHK-AWEZNQCLSA-N	247.407	4.660	0	10	BJAE	
C[C@H](C(=O)CCCCC[C@H]1C[C@H]1C)C(C)(C)C	2248867306	VAAHEYCTDIVOPN-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
C=CC=CCCNc1cccc(C(C)(C)C)c1	2249251934	YRWTWLGMJPLJIV-UHFFFAOYSA-N	229.367	4.528	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@@H]1CCC=CCCC1	2250371929	NSXMNGWNIOVAJB-PMPSAXMXSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@H](O)[C@H]1C	2250481471	MBIHZGWARIIRBE-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@H](N)CC[C@H](C)CCCC(C)C	2250486291	QSDYSEWJZDRCQT-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C(=O)O)C(C)C	2250496501	SGPPRMFWNBJOLI-KBPBESRZSA-N	242.403	4.586	0	10	BJAE	
CCC(CC)[C@H](NC)c1ccc2ccsc2c1	2253065438	MYAPLZMBPBWHCN-HNNXBMFYSA-N	247.407	4.598	0	10	BJAE	
CCCC1CC(NCC[C@H]2CCCCC23CC3)C1	2253887968	AXYIQDKVPIZBAV-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CC2(CCCC2)C1)CC1(C)CC1	2254110980	YISFPJALAQQTFW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCCCN1CC1CC2(CCCC2)C1	2254114181	RIWPSAKYTCWPGC-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCc1cc(NCCCC[C@H]2C[C@@H]2C)ccc1C	2254502004	IIERGMYECMOJHU-HOCLYGCPSA-N	245.410	4.796	0	10	BJAE	
CCc1occ(C)c1C(=O)CCCC[C@@H]1C[C@H]1C	2254582524	RVXALMSRISUGML-DGCLKSJQSA-N	248.366	4.550	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@@H]1C)[C@@H]1C=CCCC1	2254592691	NXFWYXASOXUAHO-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCCc1cc(CNC(C)C)cc(C(C)C)c1	2254722935	OFEPYBYKVTYTRN-UHFFFAOYSA-N	247.426	4.651	0	10	BJAE	
CC1(C)CCC([C@](C)(N)CC2=CCCCC2)CC1	2255096156	JDINXFHEAXAVTH-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
Cc1cc([C@H](N)CCCCC[C@@H]2C[C@@H]2C)oc1C	2257247938	MRWRQOQVFMOBMW-NWANDNLSSA-N	249.398	4.503	0	10	BJAE	
CCc1ccc(OCCCCC[C@@H]2C[C@@H]2C)cc1	2257248953	VBBXTKOICBFLCY-GOEBONIOSA-N	246.394	4.844	0	10	BJAE	
CCC[C@H](CC)CN[C@H](c1ccccc1)C1CC1	2259478352	PTBIADDJVHINMN-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
C[C@@H](CC1CC1)C1(N)CCCCCCCCC1	2298922304	CYENPNHHZVZMBH-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H](C)C1CCCC1	2300872432	PNEDKCZXNMSUOM-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC[C@](C)(CC=C(C)CCCC(C)C)C(=O)O	2300893882	YFYSNHRCRFISMN-OAHLLOKOSA-N	240.387	4.650	0	10	BJAE	
CCC(C)=CCCc1cccc(C(F)(F)F)c1	2300929219	NGMZSWYIMHSPRI-UHFFFAOYSA-N	242.284	4.994	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H]1CC2)c1ccsc1	2301148164	RGVLABGGLMVERP-OBJOEFQTSA-N	248.391	4.537	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](O)(CC2CCCCCC2)C1	2301208434	SOOWGXUDHKGWFI-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1([C@H](O)CC2CCCCCC2)CCC1	2301212042	XPWSNVBPDWOTEM-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CC[C@H]1C(C)(C)C	2303466720	YTVBWBHFOKYBIF-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H]2CC(C)(C)CC2=O)CC1	2303522462	LIVNXWAIRZTXEJ-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC1=C(C)C[C@@](CO)(C[C@H](C)C(C)(C)C)CC1	2303584843	UNGAZVSNEWKKNH-GOEBONIOSA-N	238.415	4.558	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCCC[C@H]2N)C1	2304448417	YBOUALZEARPLKP-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CCC1CCCC1)NC	2307891593	DMOWRSWZAOOWQG-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309170755	BAJRRSPAJZNYBU-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2C[C@H]2C2CCCCC2)C1=O	2311856434	QKEXFMBVJBSZEK-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc2c1N[C@@H]([C@H](C)CC1CCC1)CC2	2313646547	ZOKUFBUPWDTHKS-CZUORRHYSA-N	243.394	4.548	0	10	BJAE	
CCNC[C@@H](CCC=C(C)CC)c1ccccc1	2316531864	JXIFXSMRLFRATP-QGZVFWFLSA-N	245.410	4.516	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C1[C@H]2CCCCC[C@H]12	2316884037	FUBYFQUZUGEDKX-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@]12CCCC[C@H]1CC2	2318933882	QWHQXTHUOJBEIU-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC(=O)CC1=CCCCC1	2320247546	BXFIJDWUXRVUSY-HOCLYGCPSA-N	248.410	4.908	0	10	BJAE	
Cc1cc(F)cc(NC[C@@H]2CC[C@@H]2C(C)(C)C)c1	2320320815	SBYMIYUWRMIZDX-WFASDCNBSA-N	249.373	4.618	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C[C@H]2CCC(C)=C(C)C2)C1	2320334146	MKBCBPSLKKSADV-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@](C)(N)C2(C)CCCC2)CC1	2320345444	AACZSCQHWOWQQT-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2320403913	SPFILKBHFLVYHM-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(C(=O)[C@@H](CC2CC2)C2CC2)CCC1	2320777386	WTQPALRVTKHJBH-AWEZNQCLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CCC2=C[C@H](N)CC(C)(C)C2)C1	2321650292	SQUTZYGOMJEKIZ-HIFRSBDPSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(N)c(F)c1-c1ccc(C(C)C)cc1	2327851123	NORRZMLXJKSTOI-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
Cc1ccc(C)c(NC2[C@H](C)CCC[C@H]2C)c1	21505981	GIBAQQHKWVTRNE-ZIAGYGMSSA-N	231.383	4.540	0	10	BJAE	
CCC1CCC(N[C@@H]2CCCC[C@@H]2CC)CC1	35257203	DZGXJRLDVXYPAC-BHDPWAOGSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)c2cccs2)c(C)c1	37763559	PUYSLSBWJFYCTJ-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CC(C)(C)Cc1nc2cccc(C(C)(C)C)c2o1	62534518	BRHANBQZNPOFRS-UHFFFAOYSA-N	245.366	4.714	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1ccc(C)cc1C	68860319	FMZSHBGYLHMNPB-NVXWUHKLSA-N	248.410	4.943	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(Cl)cc1F	68986516	MVFXZYHKQGDTLM-NSHDSACASA-N	243.753	4.860	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(Cl)c(F)c1	68986523	AYNFVIXRTWJWOB-SNVBAGLBSA-N	243.753	4.860	0	10	BJAE	
CCSc1ccccc1N[C@@H]1CC[C@@H](CC)C1	80458323	IFBPUJMZAVKQKV-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H](N[C@H](C)c1ccc(C(C)C)cc1)C1CC1	86117634	FPHXMWYIEOTZIW-CXAGYDPISA-N	245.410	4.649	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC1CCC(C(C)C)CC1	88294206	HBNFMDKPTQMZMH-FXQLRMTLSA-N	239.447	4.616	0	10	BJAE	
CCCC1CCC([C@H](NCC)[C@H](C)CC)CC1	93188284	MFGCRZNJZYRLME-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCCC1(C)C	94276839	PAYWYZTUAUEBSG-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CCCCc1ccc(N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1	109762400	MLOPDIVLFLUONH-ZMSDIMECSA-N	243.394	4.630	0	10	BJAE	
CCCCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1NCC	112872316	YTCMPJXQUVGGKD-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](NCCC)c1coc2ccccc12	123056783	UQLJLEDHOJCWGT-OAHLLOKOSA-N	245.366	4.664	0	10	BJAE	
CC(C)CCCC1(O)CC(C)(C)CC(C)(C)C1	124962146	SMMYYLALTUAHIL-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC(C)(C)CC[C@H]1CNC(C)(C)C	130064057	CJJZELIQPJKAEV-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H]1C[C@H](C)CC[C@@H]1CNC(C)C	131437598	JIIKQCMKLUAABQ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC(CC)CC)c1ccc(CC)cc1	148225904	VFKHDEWJDLIZMC-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1ccc2ccccc2c1	163661036	CLUPBHNDOPWIRC-DYVFJYSZSA-N	241.378	4.537	0	10	BJAE	
CCN[C@H](c1ccoc1)C1(CC(C)C)CCCC1	164941747	SBHIGJYKHRZBHC-OAHLLOKOSA-N	249.398	4.537	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1cc(C)ccc1F	165348244	ANMFIPLIWOKCRK-LBPRGKRZSA-N	236.330	4.533	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@@H](C)C(C)(C)C	167142533	IDNCOCREYVTDBQ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCCC[C@H]2C(C)C)c1	214446986	ZHTCDZGBSRZTKJ-DLBZAZTESA-N	245.410	4.930	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1C[C@@H](C)CC(C)(C)C1	224814298	WXSADFVJHQLBOU-VNHYZAJKSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)CC1CCC1	229672299	JQONDNXOIHBOFM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)Cc1c[nH]c2c(C)cc(C)cc12	233332755	ZJXCEMCUXRVJTH-NSHDSACASA-N	229.367	4.763	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2C[C@H]3CC[C@H]2C3)CC1	251855704	SFLAVUBTWUWBFV-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H](N)[C@H]1CCC[C@@H](C)C1)CC(C)(C)C	253046159	PPZRBPWXRTTXJI-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1[C@H](C)CC[C@H]1NC1CCC2(CCCC2)CC1	253363336	IZYPCGAEHRWVSN-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc2cc(-c3csc(C)n3)ccc2c1	259374454	SUECOLUOXIRZKT-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
Cc1csc([C@@H](O)CCCC(C)C)c1Cl	300036019	XMOYQHYRUINQOT-JTQLQIEISA-N	246.803	4.570	0	10	BJAE	
CC(C)NCCC(C)(C)CCC1CCCCC1	302243574	GRRMHKZNOUXRQQ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](N)CCC2CCCCC2)C1	302249435	KBKIXULSHJVLCN-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1cc2ccccc2o1	305953088	NHSJLEWWKUJXKW-GFCCVEGCSA-N	244.334	4.688	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](NC)c1cccc(C)c1C	308073068	SQPMKAYEBHTYJH-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CCCNC/C(=C/C1CCC(C)(C)CC1)CC	310272398	TZLUQRCOXZBSQU-WYMLVPIESA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC2CCC(C)(C)CC2)C1	310520215	NINBFNKAKPVUEE-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc([C@H](O)C[C@H](C)C2CCCCC2)cc1	310901368	WIDKHBLYQVXHRB-WMLDXEAASA-N	246.394	4.635	0	10	BJAE	
C[C@@H](CCC(=O)c1ccccc1)C1CCCCC1	311111273	WQZVCVCJQPNOBT-AWEZNQCLSA-N	244.378	4.866	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@H]1CCCC12CCCCC2	313081713	RMTXYOLEHMTJNN-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCC1CCC(CCC)(CNC(C)C)CC1	318030625	HVUTXXFVXSOJLF-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)CC(C)(C)C)s1	384678353	ZWXYGJASSVURNW-JQWIXIFHSA-N	239.428	4.532	0	10	BJAE	
CC/C=C\CN[C@@H](C)c1ccc(C(C)(C)C)cc1	385019162	OHELQJVTTVYSEF-DANTVBBOSA-N	245.410	4.601	0	10	BJAE	
CCC(CC)C[C@H](N)c1cccc2ccsc12	386359931	VZEASRQHBABXQN-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CN[C@H](C[C@@H](C)C1CCCCC1)c1ccccc1	386766078	HRVNPALSHBGDPW-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
Cc1cscc1N[C@@H](c1cccs1)C1CC1	387365490	VNOPFNVYSGAEFF-CYBMUJFWSA-N	249.404	4.681	0	10	BJAE	
Cc1ccc([C@H](N)CCCCCC(C)C)c(C)c1	394861251	MAEOWPZYVWCUCE-QGZVFWFLSA-N	247.426	4.910	0	10	BJAE	
CCc1cccc2sc(C)c(C(F)F)c12	396241000	LKPDZNBDOFNXEG-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1cc(F)c2sc(C(F)(F)F)cc2c1	396293693	GRLOMSRASHACPV-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1csc2c(F)c(C(F)(F)F)ccc12	396297847	MEJIRCOVUBVLGO-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC=CCC2)C1	402189770	ZHGLKTZQBFQNQT-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	403819071	KJORXAKUNBDVAD-BMFZPTHFSA-N	243.394	4.658	0	10	BJAE	
CCN[C@H](CCCC1CC1)C1(CC)CCCC1	405701122	AYYOWIOITPLUQD-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)CC(C)(C)C1CC1	405746537	QPMAYLJWEZAGKK-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCC(C)(C)C2CC2)C1	405949341	FAFSACHLIJYECT-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H]1CCC/C(=C/Br)C1	606288165	MQFRIABZHVWWKP-DFYQSJSGSA-N	231.177	4.502	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](CN)C1CCCCCC1	688456821	XHOVCGQHXDBSKM-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
C[C@H](CC1CCCC1)Nc1ccc2c(c1)CCC2	689719566	QMDUCXORRXJSRG-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
CC1CCC(C[C@](C)(O)CC2CCCC2)CC1	689761471	AWUNTSUDLNJTKJ-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC1(CNc2cccc(C3CCC3)c2)CCCC1	690153537	WFSYNMPDANIVLO-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCCCC[C@@H]1CC	691096614	BQAYVEYWHPEROH-BPUTZDHNSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)C[C@@H](C)CC(C)C	691183682	GRUYVZMHPSHUDG-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC[C@H](C)c1ccccc1	695098695	MYKORUXDURFRDQ-GJZGRUSLSA-N	247.426	4.595	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cccc(CC(C)C)c1	696175334	CNGIVKLXPSVWSB-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
CCC(C)(C)CC[C@H](CCC1CCCC1)NC	696552056	WJXACHLMUAVIOQ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](CCC(C)(C)CC)C1	696704596	REZIPNQHKOMKSI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CCNc1c(F)ccc(C)c1F	696799954	PWKJZZGVBRMJLE-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
CCN[C@@H]([C@@H](CC)CC(C)C)C(C)(CC)CC	701225922	LTDPRKHYHAMEON-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)CCC1=CCCCC1	704554952	BRPMQJNYASZNCV-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
CCC[C@](N)(C[C@@H](C)c1ccccc1)C(C)(C)C	704927280	IQXLNKITQFYGCC-PBHICJAKSA-N	247.426	4.724	0	10	BJAE	
CCCC[C@H](CC)C[C@@](N)(C1CCC1)C1CC1	705337952	OJSYBJGJCKJYKE-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CC[C@H]2CCC[C@@H]21	707776177	VWXURWFPRHQGOD-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@H]1C[C@H](C)CC(C)(C)C1)c1ccco1	708313211	ZWEFWZIGXWPSKV-IHRRRGAJSA-N	249.398	4.535	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)C[C@@H](C)CC(C)(C)C	709166317	OIDQMSACKWEYEC-KFWWJZLASA-N	242.447	4.882	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1N[C@H]1CC[C@H](C)CC1	709244473	YQTBSFOIYVUQMC-VGWMRTNUSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](C[C@]1(O)CCCC12CCCC2)C(C)(C)C	710731120	PRZVNGDOOBBJBW-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C[C@@H](C)C(C)(C)C	710788863	SPAOTVCMVZGEJE-KFWWJZLASA-N	242.447	4.882	0	10	BJAE	
CCCCCC[C@@H](NCC)C12CCC(CC1)C2	710964607	CWVLTBRQZZVTAS-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CCc1cccc([C@H](N)C[C@H](CC)C(C)(C)C)c1	711121619	PINRNUBBPZFTBR-JKSUJKDBSA-N	247.426	4.711	0	10	BJAE	
CC[C@H](CC(=O)CC1(C)CCCC1)C(C)(C)C	711186613	LPPFNJKEXBZLID-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](C[C@@H](O)c1cc(C)ccc1C)C(C)(C)C	711211448	PCWWFBQUPQLTGI-GOEBONIOSA-N	248.410	4.799	0	10	BJAE	
CC(C)C(C)(C)CNc1cc(F)ccc1Cl	713133151	XMKDWXFKVCQCCL-UHFFFAOYSA-N	243.753	4.573	0	10	BJAE	
CC/C=C/[C@@H](C)Cc1ccc(C(C)C)cc1	714539535	AQECTWBFOBBLQD-PSKZRQQASA-N	216.368	4.955	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)C[C@H]1N)CC(C)(C)C	717530068	UQZVUAKUQCXZRT-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1cc(C)ccc1F	718524023	CUZNBMLGNIBWIF-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCC(C)=C(C)C	718603923	XEQYEHSWQZVSJK-LSDHHAIUSA-N	226.404	4.700	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)CCC(C)=C(C)C	718701932	SJAGVTRQPCIRKA-OWCLPIDISA-N	238.415	4.700	0	10	BJAE	
CCN(C[C@H]1CCCC[C@@H]1C)c1cccc(C)c1	1615919641	CSUNKWBPPOUFSK-JKSUJKDBSA-N	245.410	4.648	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)C1CCCCC1	1900704073	UXFRVHDLDSDMBB-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCc1ccccc1C(F)(F)F	1901885112	QUVXTAHDSQQSQD-UHFFFAOYSA-N	230.273	4.684	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC[C@@H](CC)C1	1905395024	YLOGVLDQGRWDEO-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@](C)(O)C1(C)CCCCC1	1908526503	LESDXAOJYIHSJQ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@H](NC1CC2(CCCCC2)C1)c1cccs1	1912700840	JLJFMCPRHIKVMU-LBPRGKRZSA-N	249.423	4.512	0	10	BJAE	
Cc1c(Cl)cccc1CCC1=CCCC1	1913217905	UVMYQIUQXRUZIC-UHFFFAOYSA-N	220.743	4.691	0	10	BJAE	
CCCC=CCN[C@@H]1CCC[C@@H](C(C)C)CC1	1914680607	UZYDZYIXTLQWPH-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(C)NC[C@@]1(CC2(C)CCCCC2)C=CCC1	1916358532	AMJCSVQKWBIZOU-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCC3(CCCC3)C2)[C@@H]1C	1916432106	XQRIHZQPUMETEO-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](NCC1CC(CC)C1)c1ccccc1	1921250247	SCLNLQRJXVZREP-VMBOVVBDSA-N	245.410	4.554	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)[C@H]2CCCC23CCC3)C1	1921586565	OQKAXSLJLQIWNF-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@H](N)C[C@@H]2C=CCCCC2)C1	1925916629	VHOBSOGSXFFELE-BPKGMFCQSA-N	249.442	4.523	0	10	BJAE	
Cc1sc(Cl)cc1[C@@H](N)CCC(C)(C)C	1933587147	JGCWTPDHRCGVTR-JTQLQIEISA-N	245.819	4.536	0	10	BJAE	
CCCCCC[C@]1(CO)CCC[C@@H](C)CC1	1939901065	XZXWVIKNSPMQSF-CABCVRRESA-N	226.404	4.536	0	10	BJAE	
CC(C)CCCCC[C@@]1(CO)CC=CC[C@H]1C	1940948953	SNSOVWGAWHPPPQ-CVEARBPZSA-N	238.415	4.558	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](O)CC1(C)CCCC1	1941244199	UCNPNRCFDGIISH-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](N)CC(C)(C)C(C)C	1941262312	CHNCFGBNDSFWCS-GJZGRUSLSA-N	241.463	4.704	0	10	BJAE	
CC[C@@H](NCC(C)(CC)CC)c1ccccc1	1941349045	BOYMHNZLGDGXED-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
C[C@H]1C[C@](O)(CCCCCC2CC2)CC[C@H]1C	1941579374	NCWYALDNMCLPLH-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)(CCCCCC1CC1)CNC(C)(C)C	1941598346	CIGYZRDYFCATLW-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](CNC(C)C)CC(C)C	1942658780	PWGXNTFOHQDTFG-HOTGVXAUSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@@H](O)c1ccc(C2CCCC2)cc1	1944121125	DXJOIVGTMPBHTL-MRXNPFEDSA-N	232.367	4.568	0	10	BJAE	
CCCC[C@H](C)NC[C@@]12CCCC[C@@H]1CCC2	1944195468	RKQAQWHABCGYCU-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccccc1CC[C@@H]1C=CCCC1	1947566667	ZAMZBCVPZGYJDY-OAHLLOKOSA-N	228.379	4.928	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1CC(C)(CC)C1	1948406715	DNDJZSKBWYEPTO-VQCLRJIVSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)CNC1CC2(CCCC2)C1	1948474301	ZFQAMQNFISSJSI-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1(C[C@@]2(N)CCCC[C@H]2C(C)(C)C)CCC1	1948973728	YLSBDFMPRPYMON-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@](C)(N)CC[C@@H]1C[C@H]1C1CC1	1949011520	RBEMAYKKUZIZDA-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@](N)(CCC(C)C)C1CC1	1949047831	ZNYRZJBLNXLAII-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@@H]2CCCCC2(C)C)C1	1949495077	DBDPQLDJZTVIKA-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@@H](N)[C@H]1CCC(C)(C)C1)C(C)(C)C	1949527830	CIYICFVZFIDMGY-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(O[C@H]2CCC3(CCCC3)C2)ccc1F	1968617079	XGMBACLYPXHHPT-AWEZNQCLSA-N	248.341	4.626	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C)C2CC3(CCC3)C2)C1	1972937723	HLOMJXLTVHKRHY-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)c1cc(C)cc(C)c1	1973315248	FWLXCNPQTCCURH-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CCCCCC1CCC(c2cnco2)CC1	1980314644	MVNTUWFGBNBHHQ-UHFFFAOYSA-N	221.344	4.529	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(N)CCCCCCCC1	1980334601	QDTILBAMBFLIAN-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)C[C@H]1CCCCCCC[C@H]1N	1980341567	JKBAPIJMVDDNKY-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](C)(N)CC1(C(C)C)CCC1	1989460039	AMNCPJMBIXSTFW-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC1CC(CC(=O)CCC(C)=C(C)C)C1	1994832421	FLBAZAKSRAZGMX-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CC[C@](O)(CC1(C)CCCC1)C1CCCCC1	1996547027	MRQHCWWPYOOEMZ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@@]1(O)CCCC2(CCCCC2)C1	1996645897	PMQYCWIYBHZANR-MRXNPFEDSA-N	238.415	4.822	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1[C@@H](C)[C@H]1C)NCCC	1998543106	LSHKZAGCFPDCOM-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCCC1CCC1	2000195072	MJYTXLNQSQCUDL-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
CN[C@H](CCCC(C)C)C[C@H]1C=CCCCC1	2000253701	BRGLWHJCBCFQEH-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@H]1CCC[C@H](C)C1	2000505073	NQDODQDJHCBFQB-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CCC(F)(F)CC)CNCC	2000506280	AEPJPTSSUITDAF-CYBMUJFWSA-N	249.389	4.618	0	10	BJAE	
CCC1CC([C@@](N)(CC)CC2CCCCC2)C1	2002342509	ALENYQFYAWAWLA-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(C[C@@H]2CCCCCCC2=O)CC1	2003116365	IHXDDLYBWFOHBQ-NRXISQOPSA-N	236.399	4.742	0	10	BJAE	
O=C(CCC1[C@@H]2CCCCC[C@@H]12)c1cccs1	2003682448	XGBHTKUTUUOKKI-VXGBXAGGSA-N	248.391	4.537	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](CCC2CCCCC2)C1	2006673428	KXHLYASEIVBIJR-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC1(C(=O)[C@H]2CCC[C@H]2C)CCCC1	2006720947	FJPSRXJJBDYANM-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
FCc1ccc(NC2CCCCCCC2)cc1	2007025919	LDMZJOPEBPARSU-UHFFFAOYSA-N	235.346	4.681	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)CC(C)(C)C(C)C	2007623877	XRCPEUVZDDRNTE-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CCC1CC(C[C@]2(N)CCCCC[C@H]2CC)C1	2007749750	PSLOQXVUZBXWGV-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
CCC1CC(CC(=O)[C@H]2CCCC[C@@H]2CC)C1	2007770207	ZVYHODTXFUYSGX-WUCCLRPBSA-N	236.399	4.598	0	10	BJAE	
CCSc1cccc(NCC2CC(CC)C2)c1	2007807986	OGJHWJLXFNPSBX-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](C=C1CCCC1)NCC	2007938780	BBEAORUGPPBIRW-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@](C)(CCC)CNC(C)(C)C	2009629728	UGHNKAGNCWQKFK-MNDMWVCDSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H]1CCC[C@@H](CC)C1	2009633704	BHNQITJVWRTNNW-ZGWFHWIISA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](CC)CC1)[C@@H](C)CC	2010716851	XJFASMOVTZQCFY-LZWOXQAQSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC=C(C2(O)CCCCCCC2)CC1	2010722741	WBXLTJBTLKYTSL-AWEZNQCLSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@H](O)C[C@]12CCC[C@H]1C2	2010981331	HBQNUZPDQAZVFP-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@H](C)CC)CC(C)(C)C1	2012042501	VJCMQMNBLJQYKJ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC12CCC(CC1)CC2	2012824308	QZFSVIPJXUFCNX-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@@H](N[C@H](CC)CCC(C)C)[C@H]1C	2013262210	AKDINTDVIWTTHH-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNC(C)(C)C)CCC1(C)C	2014848147	CDCINAZXENCHQE-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)C[C@H]1CCCCCCCC[C@H]1O	2015274015	IKFVHHWCNVNICW-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(C[C@@H](C)C(C)C)CC1	2015283766	HLDVLKZEVJULFP-PMPSAXMXSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1C[C@H]1CCNC1CCCCCCCCC1	2016826650	LIKYJNQEBUAYIE-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCN(CC1(C(C)(C)C)CCC1)[C@@H](C)C(C)C	2017129942	WAAHUNLNTQWUHJ-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CCN[C@@H](CC1(C(C)(C)C)CCC1)[C@H](C)CC	2017138255	IBHQBORLOKKINF-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC1(C(C)C)CCC1	2017140653	JTBHQHDRHJQZNV-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C2CCCCC2)CC1	2017661820	FROWVYZSLYATHC-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1CC[C@H](C)CC1	2017738079	MZCFMZQCMATWLA-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@]12CCCC[C@@H]1C2	2018571340	SKGXLIQJPVWKEG-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@]12CCCC[C@H]1C2	2018631907	RMJMJBYMPIZKMC-BBRMVZONSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC1(CCC)CC1	2018997176	XOVCZVUBPMNNEQ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)CN(C)[C@H]1CCCC(C)(C)CC1	2019289462	BITPGTZRVHECKA-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCC(CC)N1CCCC[C@@H]1C1CCCCC1	2019306471	WXPUZNLBNSLIRD-MRXNPFEDSA-N	237.431	4.610	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)C(C)(C)C(C)(C)C	2022557163	MBBHZMFLQBPDQF-NEPJUHHUSA-N	238.415	4.700	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H]3CCCC[C@H]32)cs1	2022990229	DYGZLSPMSOHPKD-BPLDGKMQSA-N	249.423	4.827	0	10	BJAE	
C[C@@H]1[C@@H](N(C)CCCC(C)(C)C)CCC[C@H]1C	2022992162	LWFVIMCZMOOXED-ILXRZTDVSA-N	239.447	4.569	0	10	BJAE	
CN[C@@H](CCC(C)C)C[C@@H]1CCCC(C)(C)C1	2024094318	JGMXHFLKKILOTK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@H]1CCCC(C)(C)C1	2024097195	XFJOJPSCURUIOY-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCN[C@H]1CCC(C)(C)C[C@H]1CCCC(C)C	2024125466	SEVKDMQKANIWSD-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@H]2CC[C@H](C(C)C)C2)c1C	2025571848	IRIGXBYOEZNRAQ-GJZGRUSLSA-N	231.383	4.540	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H]1CCC[C@H](C)C1	2027030371	LHPPPPOMJRZJSR-ULQDDVLXSA-N	249.442	4.703	0	10	BJAE	
CC1(CC[C@@H](O)c2ccccc2C2CCC2)CC1	2027736149	MDZJDUYTXHWDEZ-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)C1(C2CC2)CC1	2028100668	BUQZXUVRRQXSJA-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cccc(C2(C)CC2)c1	2028551688	IQMOUKOBPDQIIW-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)C1CC2(CCC2)C1	2028630904	KMNQGQJMECGPGU-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC2CCC=CCC2)[C@@H]1C	2028868949	BEBQHQBWDMGLGE-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C[C@H](C)C1CC1	2032159414	PHTSRLKCPAPBRS-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)CNc1cccc(C2(C)CC2)c1	2032241975	BQCJNZQVSPIGDF-UHFFFAOYSA-N	245.410	4.832	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@H]2CC[C@@H](C)C2)cc1	2033389561	SYXDFARDTBQNOU-OQUILHJVSA-N	245.410	4.636	0	10	BJAE	
CC1(CNCC23CCC(CC2)C3)CCCCCC1	2033440624	AQGGHOHAOUSJES-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(F)cc1NC1CC(C2CCCC2)C1	2033767032	LLSLWQSOZILDGO-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC(C)(CN[C@@]12CCCC[C@H]1C2)C1CCCCC1	2034015621	DBMMAAIUIAEPRI-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CCCC2)C1)[C@H]1CC1(C)C	2034362805	JRJDSTKWTAWGJF-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2C=CCCC2)CC[C@@H](C)C1	2035585763	HCMFGAYXCUBNPD-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCOc1cccc(N[C@H](C)[C@@H](C)CC(C)C)c1	2036382481	LXXBRTCBCPVGLW-UONOGXRCSA-N	249.398	4.568	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H]2CCC[C@H](C)C2)c(C)c1	2037047312	BSROVSVLLAFMGG-NUTKFTJISA-N	245.410	4.520	0	10	BJAE	
NC1(C2=CCCCCC2)CC(C2CCCCC2)C1	2037100557	CFTZPRPDFGUHNX-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C1CCC(C)CC1	2037105917	VGBWJDZEQLLJLI-KXJMLMMSSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CCC=Cc1ccccc1	2037116577	SZMNCLOWMMYWIT-KRWDZBQOSA-N	245.410	4.634	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1	2037132044	YBCDFGILHMRCCG-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CCC1=CCCCC1	2037171650	NNOLYBUYSGWCHW-IAGOWNOFSA-N	249.442	4.955	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CC3CCC2CC3)CC1=O	2037877803	XMZSMLKQBZLCKY-SHWKFHJASA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1N[C@H]1C[C@@H]2CCC[C@@H]2C1	2038623029	QPVINVLPAPRHGF-MUJYYYPQSA-N	243.394	4.630	0	10	BJAE	
C[C@H](CC1CCCC1)NC[C@@H]1CC12CCCCC2	2039092096	NBVILOJDZCDRES-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1CC=CC1)[C@H]1CCCC(C)(C)CC1	2039382499	ALDVTDITTCQARV-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2CCCC3(CCC3)C2)CC1	2041289834	LONRMXZLCSITLQ-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CN(CCCC1(C)CC1)[C@H]1CCCC2(CCC2)C1	2041293389	OXDYEPANYSQVDE-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC2(CCC2)C1	2043617168	YTMBDPWNXDKOPG-HNNXBMFYSA-N	243.394	4.692	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1C[C@@H]1CCC=CCCC1	2045329678	PYCQAZWMHAIAKD-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@H](N[C@@H]2CCCCC23CCCCC3)CCC1	2047595316	ILBQLLNZZGFKEL-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@H](C)c2ccco2)CC1	2049418104	NQTBQVQTSXIZCB-LMRVLLHPSA-N	249.398	4.535	0	10	BJAE	
CCCC1([C@H](CC2CCC3(CC2)CC3)NC)CC1	2049852574	FIBHKGMRGZPFAS-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2C3CCCC2CCC3)C1	2050044264	YNJIZDCQVVCCQO-STXJZCLZSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC(C)(CC)CC)c1cccc(C)c1	2050451732	XIZYRLSIFIRZOY-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CCCCC12CCC2	2053354705	GCIXVTDYJJWQOY-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
N[C@H](C1=CCCCCCC1)[C@H]1CCCCC12CC2	2053416003	NRISDLPYLUEPMP-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
Cc1cc(Cl)c(C(F)(F)F)cc1C(F)F	2054884104	XXOFDOFWPYAFBX-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CC1([C@@H](N)CCCC2CCC2)CCC2(CC2)CC1	2056558309	DSKFNNXBKXJQIB-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H]1CCC[C@@H](C)CC1	2056871329	SBTSSRXNDGGHLV-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(O)(C[C@H](C)c2ccccc2)C1	2059395291	IXLZRWLFZAVVCB-UQPPLGOBSA-N	246.394	4.512	0	10	BJAE	
CC(C)C1CCC([C@H](N)C2=CC[C@H](C)CC2)CC1	2060914714	USHHHJIRYNEHBC-VFNXUKNFSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C1=CCC(C)(C)CC1	2061089493	UBDNPLJNGJQAEY-INIZCTEOSA-N	247.426	4.601	0	10	BJAE	
C=C=CCC[C@@H]1C[C@@H](CCC)CC[C@H]1NCCC	2061561360	QYAWKVFUCQUAEF-GVDBMIGSSA-N	249.442	4.692	0	10	BJAE	
CCc1cccc(N[C@@H]2CCCCCC23CC3)c1	2062018013	QNYQLETWDCQPOZ-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CCC[C@@H]1C[C@@H]1C	2062620179	MFDGSCKPTRPSQS-JJRVBVJISA-N	245.410	4.636	0	10	BJAE	
CC[C@]1(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCCCN1	2063477740	UHICPXFSIVUMSG-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C[C@@H]2C=CCC2)CC(C)(C)C1	2063633758	CRWJAHMXQGNTPF-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(N)(C2CC3(C2)CC(C)(C)C3)CC1	2063796910	HNCFBDYNJIMQIX-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CNC12CCCC1CCC2)C1CCCCC1	2063903505	UXBMFXIVFQOKDG-OOHWJJMZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C=C1CCN[C@H]1C(C)(C)C)C1CCCCC1	2067825732	CBPHTXDNLGFGIQ-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC(C(C)C)C(C)C)c1ccc(C)cc1	2068819656	OFOUBXZDRSDXSD-KRWDZBQOSA-N	247.426	4.574	0	10	BJAE	
Cc1cccc([C@](C)(O)CC(C(C)C)C(C)C)c1	2068844758	QGVKAEDMSWLHLD-QGZVFWFLSA-N	248.410	4.521	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)C2(CC3CC3)CCC2)C1	2069514543	KPAUJSZPLLGMFZ-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)CC1(C(C)C)CCC1	2071897737	SROCPNJUMFNSGY-HNNXBMFYSA-N	246.394	4.553	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)c2cc(C)oc2C)CC1	2072701184	VUMWCFVFNMUMHL-DZKIICNBSA-N	249.398	4.503	0	10	BJAE	
CCCC1(C[C@@H]2C[C@H](C)c3ccccc3N2)CC1	2074637289	UFRGFOXLYZPYJX-KBPBESRZSA-N	243.394	4.945	0	10	BJAE	
CC1CCC(N(C)C2CC3(CCCCC3)C2)CC1	2075114449	NHCMOLTWEHGMKS-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CC(C)(C)NCC1([C@H]2C=CCCCC2)CCCC1	2075364745	IRKVUIACBJSHKR-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@H]2C[C@@H]2C2CC2)CC1	2079296589	RUUOWWABRAAAMW-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c(CN[C@@H](C)CCC(C)C)c1	2082906424	WEGCZACRSSJPOK-HNNXBMFYSA-N	247.426	4.526	0	10	BJAE	
CCc1ccc(C(=O)C[C@H]2CCCC(C)(C)C2)o1	2082981767	GIMJIPLHFHACIF-GFCCVEGCSA-N	248.366	4.631	0	10	BJAE	
CCC1CC(CCN[C@@H]2CCC3(CCCC3)C2)C1	2084918907	ZALXZJWWXCUJSI-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)Cc1coc2cc3c(cc12)CCCC3	2086605078	DODIUWICUIVMQK-LBPRGKRZSA-N	242.362	4.900	0	10	BJAE	
CCC[C@H](C)C(=O)CCCCCCC1CC1	2210528408	DWBNYKFHVRLOIW-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
C[C@H]1C[C@@]1(C)[C@@H](N)CCCCCCCC1CC1	2216878592	VNOKKXIADLMIQX-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NC[C@@H](CCCC(C)C)C1CCC1	2217125963	RZNFTLFYFKOWGC-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218332600	MZBDQQHIMQCOBT-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC=C(C)C)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218357780	IDAKVLJEVBNPEQ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(N[C@@H]2CCC3(CCCC3)C2)CC1	2221601632	OEZRFRIKIDGIIX-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CCN[C@H]([C@@H]1CCC1(C)C)[C@]1(C)CC=C(C)CC1	2221630296	IEPXVPQXQQHUCN-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)c1c(C)cccc1C	2222013706	KUMJCWCYDKCVKJ-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
CC1CC(CCC2CCCC2)(CNC2CCC2)C1	2223547621	FGAARFDGXQLFSY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C[C@@]1(CNC2CCC2)CCCC12CC2	2223604487	MVZNVMKPQZNULZ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)NCC[C@H](C)CCCC(C)C	2244848055	XAKPUSDIRNVLEO-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@](C)(N)CC[C@@H](C)CCCC(C)C	2244870373	BIZSFVAQXQZKFD-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C(C)(C)C2CC2)C1	2246657706	UUXBVKAAJKYYOE-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC1([C@H](N)CC[C@H]2CCC[C@H](C)C2)CCC1	2246664052	NXUBABCGSUUBMC-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1CCC1(C)C	2247393938	JZRZDQHIPPGCDM-CYBMUJFWSA-N	231.383	4.658	0	10	BJAE	
CCCN[C@@H](C=C(C)C)c1csc(C2CC2)c1	2248047619	LOWCPVDWZXRIMT-AWEZNQCLSA-N	249.423	4.632	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)[C@@H](CC)CCC	2250359049	QDPJRIBCULJYEY-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)[C@@H]1CCCC(C)(C)C1	2250363520	ALJFVQKAANYFBR-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cccc(C(C)C)c1	2250371677	MJJSWNKJLGPORK-CJNGLKHVSA-N	233.399	4.636	0	10	BJAE	
CC1CC2(C1)CC(CNc1ccccc1Cl)C2	2250437962	LWCNLJYHUSIREC-UHFFFAOYSA-N	249.785	4.578	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)C1CC(C)C1	2250475468	KZSCCLLOCUHLQV-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)[C@@H]1CC[C@H]1C	2250478768	MAAHUHHVADUBRC-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@]12CCC[C@H]1CC2	2251118423	NDVXPNSIHSGZPP-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](C)(N)C2CC3(CC3)C2)C1	2253994857	HLANACWKSQEWSZ-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)CC1CC2(CCCC2)C1	2254113929	QXKDCRSZRYXVHL-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)[C@H]1CC12CCCCC2	2254585177	MLHMRCCHNPJNHT-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CCCC[C@H]1C[C@@H]1C	2254587455	QOHNZGYQARDWMV-HRCADAONSA-N	246.394	4.553	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@@H]1CCC12CCC2	2255017196	LPDGXUJDZJASIB-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCCC[C@@H]1CC	2256115591	OTCRHLHDIQHPQX-SWLSCSKDSA-N	249.373	4.769	0	10	BJAE	
CCCc1ccc([C@H](O)CCC(C)=C(C)C)cc1	2256319042	XTFQYBSCQDKZEY-QGZVFWFLSA-N	246.394	4.809	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@]1(C)C=CCCC1	2257305059	SXNOQPDVPUFWMB-BFYDXBDKSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@@H](C1=C[C@H]2CC[C@H]1C2)[C@@H](CC)CCC	2259453570	KGRWICAAABWOSC-QBYUYEEZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@]12CCC[C@H]1CC2	2260508926	SFGYPMCSZAUUJR-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NC[C@]12CCCC[C@@H]1CC2	2260585854	DOJRZYKGPUEGKG-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)C[C@]12CCCC[C@@H]1CC2	2260601417	IGNKUOFZBMBRMD-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1=CCCC1)C1CC(CC(C)(C)C)C1	2261200913	GJJCPRLAWBDNRJ-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2cc(C3CC3)ccc2Cl)C1	2300671231	FWYOPCHBFTUTHR-MFKMUULPSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC)CC[C@@H](CC)C1	2300675958	JVTLNIVNDRNFFN-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)C(C(C)C)C(C)C	2300680592	GAHSLRXIGZNEOY-MRXNPFEDSA-N	242.447	4.882	0	10	BJAE	
CC[C@H](C)CCNc1cc(F)ccc1C(F)F	2300828263	JUYWIXVBVVPPIY-VIFPVBQESA-N	245.288	4.611	0	10	BJAE	
CCC(CC)CNCC=C(C)CCCC(C)C	2300864473	AUSLSJUHFRJXED-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@@H](C)C1)CCCC(C)C	2300864551	BVFQKDMPBKYBCT-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@]1(N)CCC[C@H](CC(C)C)C1	2300898854	IQRXSDRCEQFAKS-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CC[C@@H]1CCC[C@@H]1CNC(C)(C)C	2300902410	UJBFQUOCHYCVQT-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCc1ccc2ccc(Cl)cc2n1	2300932580	UOYKJIYAHSWCSI-UHFFFAOYSA-N	245.753	4.787	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@@H](C)[C@H](C)C(C)C	2301845578	YVGIQVWKQSIOJP-FZKCQIBNSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1[C@@H](NC2CCCCCCCC2)CC1(C)C	2302134444	FREXZDIDRUSAGH-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC1CCC(c2nc([C@H]3CC3(C)C)cs2)CC1	2302259745	TWLHRYWDWRHQAX-HTAVTVPLSA-N	249.423	4.950	0	10	BJAE	
CCCC[C@H](CC)C[C@@](O)(CC1CC1)C1CC1	2303742417	SOIRUMPEIUFPFG-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](CN)CCC[C@@H]1CCC(C)(C)C1	2304410996	JQEIIKAXYOBEPN-CABCVRRESA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H](CC)C[C@@](O)(CCC(C)C)C1CC1	2307844551	OCFHIMAPKQHTEX-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@@]23CCC[C@@H]2C3)cc1	2310883801	IBZJCHHCDUXYKO-UNEWFSDZSA-N	244.378	4.769	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)[C@@]23CCC[C@@H]2C3)CC1	2311022722	PNTMAHJZZVBKDA-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)C[C@@]12CCCC[C@@H]1C2	2311148738	AOXBEOHYBWFPNS-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@@H]2C[C@H]2C(C)C)cc1	2311634651	BMYSZEYEMWMHFF-KMFMINBZSA-N	245.410	4.904	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C[C@@]12CCC[C@@H]1C2	2313030575	KJSHBQCEOOGENS-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CC(=CC[C@@H]1CCC=C(C)[C@H]1N)CCCC(C)C	2316567614	JNYRFXVBTNRANX-DLBZAZTESA-N	249.442	4.833	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC(C)(C)[C@H]1C	2318187526	DCIWAFQIVFZASU-XHDPSFHLSA-N	249.373	4.796	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCCC2=CCCCC2)C1	2318532486	YYJILELAIAHZIB-DOTOQJQBSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)C[C@H](C)C1CC1	2318595250	NRPMEUPWWUICBT-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCC[C@@H]2C[C@H]21	2319252003	JGBWTFNMZGJISP-FRFSOERESA-N	243.394	4.801	0	10	BJAE	
C[C@@H](N[C@H]1CCCC[C@@H]2C[C@H]12)C1CCCCCC1	2319344618	HHFVCVBQPOPHFW-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C[C@H]2CC[C@H]2C2CC2)CC1	2319499409	COBOEHKMOHIQOD-SMKXDYDZSA-N	248.410	4.598	0	10	BJAE	
CCN(C[C@H]1CCC(C)=C(C)C1)[C@H](C)C1CCC1	2320399637	YBUBWSLCZLDZHH-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)C[C@H](C)C2CC2)c1	2327677220	GPUJRHFOYSAFDS-SUMWQHHRSA-N	246.394	4.588	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1cc(C)c(C)cc1C	2328212084	DMOMEVLZKZTXSW-NVXWUHKLSA-N	248.410	4.862	0	10	BJAE	
CCC[C@H](CC)CC[C@H](NCC)c1ccccc1	2328272438	FZTZJBGOCCZTNV-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
Cc1ccc(Cl)c2cc(-c3cccs3)[nH]c12	1518677	WNDAZTFINNEDSI-UHFFFAOYSA-N	247.750	4.858	0	10	BJAE	
CCC[C@H](C)Nc1cccc(Cl)c1Cl	20563608	VRKDXGAETDPRTP-QMMMGPOBSA-N	232.154	4.594	0	10	BJAE	
CC(C)(C)c1ccccc1OCc1ccccc1	39212748	ZCZQKZBEMQCODJ-UHFFFAOYSA-N	240.346	4.563	0	10	BJAE	
C[C@@]12CCC[C@H]1[C@@H]1CCc3ccccc3[C@H]1CC2	66259856	HLCRYAZDZCJZFG-BDXSIMOUSA-N	240.390	4.933	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CCC)C(C)(C)C	71083940	PXLYRPSHIAGCGJ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc2sc(C3CCCCC3)nc2c1	75841339	CPTVRAHHAAUXPF-UHFFFAOYSA-N	231.364	4.652	0	10	BJAE	
CC(C)C[C@H](NC[C@H](C)C(C)C)c1ccccc1	81045149	IONWTGWXRWQGAY-RDJZCZTQSA-N	247.426	4.656	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H](C)CCC(C)C	85388046	RRUQCNJCBKGXTR-GFCCVEGCSA-N	239.790	4.885	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H](C)CC2)ccc1F	86889962	LUOWQICCSVOPQP-DGCLKSJQSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@H](C=C(C)C)C1CCC(CC)CC1	92116884	BQCPXFNXYXIOCL-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CNCC1(CC(C)C)CCCC1	94874581	HRALODYOMWFIEC-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCCC1CCCCC1	109898234	ZLSBLXONZDBRTC-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc2ccncc12	131081548	XIKLGLOXGINPHI-CYBMUJFWSA-N	242.366	4.616	0	10	BJAE	
O[C@@H](CC1CCCCC1)C1CCCCCCC1	158941791	LUVOAYAZZHPHKH-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)NC[C@@H](C1=CCCCC1)C1CCCC1	161463296	FLAZNAMXKLYDEN-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCCC1(CNC2CC2)CCCCC1	166075141	NHWFHVUQCQFMPN-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(=O)CC1CCCC1)CC(C)(C)C	168079508	GVPMCQRLWJCZSO-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCCC2CCCC2)C1	225052025	GPGTZRYFYKBXCY-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](c1ccsc1C)C(C)(C)CC	227898481	VJGMLQMBVJSXAH-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCN[C@H](CCCC(C)C)c1ccccc1CC	229177576	XJSBMFORAGWFNW-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCC[C@@H](C(C)C)C1	230998590	CKOZLORYRJPBNA-KGLIPLIRSA-N	249.373	4.761	0	10	BJAE	
CCCC1CCC([C@H](N)C2=CCCCCC2)CC1	232906178	GRNMCNQEQBBHRC-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H](C)[C@@H]1CCCC[C@@H]1CNC(C)(C)C	233341799	DAJHZBZOSDGYDD-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NC1CC(C(C)C)C1)c1ccccc1	233356919	LDNCTSSGPIBPNN-JCYILVPMSA-N	245.410	4.552	0	10	BJAE	
Cc1cccc(NC[C@H](C)CC(C)C)c1Cl	300884417	NINUDZHPLKBOSA-LLVKDONJSA-N	239.790	4.743	0	10	BJAE	
CC1(C)CCC[C@H]1[C@H](O)CCC1CCCCC1	302252413	LFTQQFAOYMIKFC-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C[C@H](C)CC(C)C	302308799	IALXMNKGGFHZEO-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCC(=O)c1cc2ccccc2o1	302365603	YIMMIXLVWKSQTG-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)C1=CCCCCCC1	302391255	NVDACAWMCVTGNC-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@H]1CC1(C)C	305907927	GNIZWWGYHPPRMJ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCC1(CN)CCC(C)(C)CC1	305925720	NHRQZYKFRLDJIE-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@@H](CCC2CCCC2)C1	305949483	MTUUVDNDOUPRMU-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CCCCF)NCC	308045382	GEDCLYYQDAMMBQ-CABCVRRESA-N	245.426	4.567	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CCC1CCCCC1	308108044	XALUJDSKXAYTCN-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@]1(CC2CCCCC2)CCCCCN1	309947618	ASYXPAZWHRLDAN-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CC[C@@H]1CC[C@](O)(CC2CCC(C)(C)CC2)C1	310185975	XMRCPOCILTWOQE-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)CCC1CCCCC1	310250690	KCROQAOSYBBONJ-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1cnc(C(C2CCC2)C2CCC2)s1	310280217	WBYRSBKEHVVXES-UHFFFAOYSA-N	249.423	4.950	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CC1(C)CCCC1	310385454	JZJTUJRAARQBSF-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](NCC1(CC)CCC1)c1cccc(C)c1	310692196	OEMBUQZWXFFFCP-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCCCC[C@]1(CNC)CCC[C@H](CC)C1	317635874	YZGSAYCFHPGBBL-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
CCOc1ccc2c(ccn2[C@H](C)[C@H](C)CC)c1	319573379	HLMXGQAXBHVKIG-CHWSQXEVSA-N	245.366	4.647	0	10	BJAE	
CC[C@H](Nc1cccc2ccccc12)[C@H]1C[C@@H]1C	322084003	VFIPXTALBIMBKW-RCBQFDQVSA-N	239.362	4.686	0	10	BJAE	
CCc1cc(N[C@H]2CCC(C)(C)C2)ccc1C	379871040	PKMIUURRISLTME-HNNXBMFYSA-N	231.383	4.548	0	10	BJAE	
CC(C)[C@H](C)/C=C(/CNC1CC1)C1CCCCC1	381307890	LEKBQBORGDCNBG-VQCBNXJZSA-N	249.442	4.537	0	10	BJAE	
Cc1c(F)cccc1NCCCCCC(C)C	383139495	MDHZORABTIWGGD-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@@H](C)CC	383150997	OLIZIQBYSRODBT-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC1(C[C@@H]2C[C@@H](C(C)(C)C)CCC2=O)CCC1	383931074	SPRKUQHQIMGWPU-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCc1cccc2ccn([C@@H]3C[C@H]4CC[C@H]3C4)c12	384931482	AHMOBZDWWDJNGD-VBNZEHGJSA-N	239.362	4.565	0	10	BJAE	
Cc1cccc(NC(C2CCC2)C2CCC2)c1C	385082847	XJBXAEIIDQBTOT-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CC[C@H](Nc1cscc1C)c1cccc(C)c1	387283388	GOMBAVXCVKQKHW-AWEZNQCLSA-N	245.391	4.928	0	10	BJAE	
C1CCCC(CCNCC2(C3CC3)CCC2)CC1	394534767	NHNPVVVNMKNQOQ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC(CC)(CC)CNC(CC)(CC)CC	395164037	VTGVSFPWPYJSNB-UHFFFAOYSA-N	227.436	4.761	0	10	BJAE	
CC[C@H](C)c1ccc(NC2CC(C)(C)C2)cc1	395300415	QSVWYPDDNWKZFE-LBPRGKRZSA-N	231.383	4.801	0	10	BJAE	
C[C@H]1CC[C@@]2(C)CCC(C)(C)C[C@H]2[C@H]1C	396165973	PEBJZQBEEWPOET-ABHRYQDASA-N	208.389	4.885	0	10	BJAE	
COc1c(Cl)cc2ccsc2c1C(F)F	396180075	BYUYLTNQZMYUIL-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC[C@@H](Nc1ccsc1Cl)[C@H]1CC1(C)C	397716248	UUTVNZKSZKDXBK-RKDXNWHRSA-N	243.803	4.638	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@H](C)C1CCC1)CC(C)(C)C	398727381	RQHHINIHBRIRBP-VNHYZAJKSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1cscc1C	401924796	YQSSUYFOZFDYRU-OLZOCXBDSA-N	237.412	4.685	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@H](C)C(C)(C)C)c1	688914245	LOYKKPJZOHWEDI-XJKSGUPXSA-N	247.426	4.882	0	10	BJAE	
Cl/C=C\CNc1cccc(-c2ccccc2)c1	689688657	YLEQGYCMHWVANO-YHYXMXQVSA-N	243.737	4.518	0	10	BJAE	
CC[C@@H](Nc1cc(C)c(Cl)c(C)c1)C(C)C	690263611	ZWBDWUHUJDDFTE-CYBMUJFWSA-N	239.790	4.803	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1N[C@H](C)C1CCCC1	691168642	BOOBDBLLSMCNCT-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@@H]1CC2CCC1CC2	691696363	HJEQAEDGERHSHU-GPANFISMSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)C1CC(C)C1	691945567	GJZNURJQNZZDHF-KVULBXGLSA-N	245.410	4.507	0	10	BJAE	
C1CCCC(CCN[C@@H]2CCCC3(CC3)C2)CC1	695715697	HDDSVDYFOTWCJJ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@H]1CCCC2(CC2)C1	695986137	QUFIZKPLSHYHHR-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC[C@@H](CNC(C)C)C1CCCCC1	696857043	AXPXUZZATYWAGU-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC(F)(F)C(C)(C)CC(=O)CC1CCCCC1	697006915	DDKOQTUYHOIHQY-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCNC[C@@]1(CCC=C(C)C)CC[C@H](C)C1	698042124	YYMJMUHWHOWSPZ-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@@H](C)CC(C)(C)C)c(C)c1	704687563	WYSWCOYXAWVFDB-GOEBONIOSA-N	248.410	4.718	0	10	BJAE	
C[C@@H]1CCc2cc([C@@H]3CCCC[C@H]3C)ccc2N1	704878400	DXEVFGDQWJMDBL-XJKCOSOUSA-N	243.394	4.727	0	10	BJAE	
CCCC[C@H](CC)C[C@@](N)(CC)C1CCCC1	707636923	OTYFRTFBARILCB-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC(C)NCCC(C)(C)C[C@@H](C)CC(C)(C)C	709084503	WJBWIWNIWXRCKD-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CCCC1(C(=O)C[C@@H](C)CC(C)(C)C)CC1	709210473	IEKHBHPTQYBALU-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC1CCC(C)(C)CC1	709219245	JTSVCSKFJIXFQM-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C/CC[C@H](C[C@H](C)CC(C)(C)C)NC	713684198	NGVFJPXBNKTOSC-MATWNZDUSA-N	237.431	4.559	0	10	BJAE	
CC(C)CC1([C@@H](N)C2CC3(CCC3)C2)CCCC1	717563117	NBVUFBCRDLTPBN-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](NC1CCC=CCC1)c1ccccc1	718039418	IEGKVSNKJFJVIJ-KRWDZBQOSA-N	243.394	4.616	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1ccc(C)cc1C	718627395	WMNSWULWGRBMKM-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1C[C@H]2CC[C@H]1C2	720955216	MSLFRXXHZDXZQW-NXOAAHMSSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)[C@](O)(CC)CC1CCCCC1	720975711	AFRYYXPXYZOVLP-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
C1CCCC([C@H]2CCNC23CCCCC3)CCC1	721085590	AWXBRAYVEILQIU-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C(C)(CC)CC	721753503	FLAGJINSSLZZGW-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1C[C@@H]1CC)NCC	723096231	SBFMMHWHNXAORZ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](N[C@@H](C2CCCCC2)C2CC2)C1	723946769	GYPPXVFMYSFEKV-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCC[C@H]1CN1CCCC12CCCCC2	1168233196	FHNBFBYZGPZIJF-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC(C)c1ccccc1CN1CCCCC[C@H]1C	1307696899	CKVITWSTNZLLFF-OAHLLOKOSA-N	245.410	4.575	0	10	BJAE	
CC1(C)CCC[C@@H]1CNC1CCC2(CCC2)CC1	1461531459	VYVPVNQYJWTYMN-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCN(CCC1CCCC1)c1cccc(C)c1F	1648102803	CEDSRABNCNQREJ-UHFFFAOYSA-N	249.373	4.541	0	10	BJAE	
C/C=C/CCCCC(C)(C)CC(F)F	1885363752	QGHUVPBJAXONLZ-SNAWJCMRSA-N	204.304	4.804	0	10	BJAE	
CC[C@H](C)[C@H](N)CC=C(C)CCCC(C)C	1900892966	OBGXVWIGUBWAKS-LSDHHAIUSA-N	225.420	4.523	0	10	BJAE	
CSc1ccccc1N[C@H](C)[C@H](C)C(C)C	1901709619	OVMAGAHGLVMMPP-VXGBXAGGSA-N	237.412	4.501	0	10	BJAE	
CCCCC1CC(O)(C[C@@H](CC)CCC)C1	1905396969	AZUDHUIZCDVASB-NFOMZHRRSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(N)C2CCC2)CC1	1909711405	SZZOIQHRZUVRDH-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
O=C(C[C@@H]1C[C@H]1C1CCCCC1)c1cccs1	1910796268	VABBDPXKLQMSCK-STQMWFEESA-N	248.391	4.537	0	10	BJAE	
CCC=CC[C@H](CC)c1cccc(OC)c1	1911978162	YVQCDJXNVRERTM-ZDUSSCGKSA-N	218.340	4.545	0	10	BJAE	
CCC[C@H](C)CCNC1CC2(CCCCC2)C1	1912701806	RTYOVBJFGSUIJK-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCC2(CCCC2)C1	1916436268	HUERDPLKWGPLAO-ZDUSSCGKSA-N	247.357	4.659	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1CC[C@@H]2C[C@@H]2C1	1917450564	LPPSYKOZZWWKFX-NCOADZHNSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1CC(CC)C1	1921305210	OLDIVRCFQVUTPF-IYXRBSQSSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@@H]2CC2(C)C)CC1	1921541865	UFJUVODNZAUZBS-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC1(N)CCC2(CCCC2)CC1	1921561006	DOYXSBNUXDXBLI-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](C(=O)CC[C@@H]1C[C@H]1C1CC1)C1CCCCC1	1924081845	TZBJRJVRMUNLOD-WQVCFCJDSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@@H](C)C1CCCCC1	1924104909	HOAIAONCVVICNG-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@H]2C=CCCCC2)CC1	1925797193	HKPQSCXUKKDPDZ-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCC(C)(C)C[C@H]1CN	1927166321	QWAJPKKWRJASTR-KBPBESRZSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)CCNC1(C)CCCCCC1	1938015806	LMXVCJKVSNZRCH-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCCC(=O)CCC(C)(C)CC(F)(F)F	1939118676	RIYXMDQGGGFXLK-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CC1(C)C)C(C)(CC)CC	1940852065	BISUWQLXBQPKEY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC[C@H]1CC1(C)C)CC(CC)CC	1940855627	HYSJLENLHNPULO-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@@H](CCCC2(C)CC2)NC)CCCC1	1940875167	HMRMWHOQTSOADH-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)CCCCCC1CC1	1941584680	QDHYZGNBKVFMCN-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CN[C@H](C)C(C(C)C)C(C)C)C(C)C	1941928634	ILSFBBDTPYXMSD-CABCVRRESA-N	241.463	4.575	0	10	BJAE	
CCCCCC[C@@H](NCC)C1(C)CC(C)(C)C1	1941987458	BPRNGMFUMFHNAT-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@@H](CCC(C)(C)CC)C1CCC1	1942089158	FDSDRZGFBRIUTJ-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC1(C[C@@H](N)C(C)(C)C2CCCC2)CCCC1	1944641283	QBDHROKLULRXDE-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H]1C)C(C)(CC)CC	1944836995	PMNIDDWGNCGJJW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1NC1CCCCCCC1	1947521269	CIJRKJIYDPXYHV-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CCC(C)(C)C1CC1	1949032969	YRXSZMUMAOLDFF-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)[C@@H]1CCC1(C)C	1949075833	LUWRJYSOAWHCPI-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@H](O)[C@H]1CCC2(CCCC2)C1	1949398451	GJGMNHORZHWYRY-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H]2CCC(C)(C)C(=O)C2)C1	1949657142	YIFXUFXOJLSKQA-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)CC12CCCCC2	1950602858	VTCMUTQDNKLKNW-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2=CCCC2)CC1	1950913227	FTYGRLVNTRZNJP-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC(C)=CCCC(C)(C)CC(F)(F)F	1956823402	FSTFVPWMAHLGFM-UHFFFAOYSA-N	208.267	4.711	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2cccs2)CC1	1976342744	PXWPGPOZGXDIAS-RYUDHWBXSA-N	236.380	4.537	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](N)c1cccs1	1980691814	HCFZIIRHLLZYQL-CHWSQXEVSA-N	239.428	4.745	0	10	BJAE	
C/C=C/CCCc1ccc(C(F)(F)F)cc1	1984604833	CHQKQBJRFKHVJK-NSCUHMNNSA-N	228.257	4.604	0	10	BJAE	
CC[C@@](N)(CCC(C)C)[C@@H](C)CCC(C)C	1986938801	PQAJYAVKUVSMHH-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)C1(C)CCCC1	1987598976	NVGDWHRIHOYCER-NSHDSACASA-N	237.774	4.721	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1CC[C@H](C)CC1	1989811999	LICCFQDBMJVAJV-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)CC1CCC1	1990089952	SEIUEQIEIVPUMJ-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CC=CCCCC(=O)CC[C@@H](C)CCCC	1995203905	MQLPTNTUERQALO-AWEZNQCLSA-N	224.388	4.908	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)[C@@H](C)CC(C)C	1995254395	RHLJWXTXOZCGML-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](C1CCC(C)(C)CC1)[C@H](O)CC(C)C	1996552516	MJOFHVBHQASQMZ-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CCCSc1ccccc1NC[C@]1(C)C[C@H]1C	1996565221	ZDQDGSSEJLVJIX-DOMZBBRYSA-N	249.423	4.647	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@]1(C)CC=CCC1	1997607996	XXPNQSBAVJORSO-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1C=CCCC1)C1CCCCC1	1998381555	XPUZKNNPKHESLN-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)[C@H]1CCCC(C)(C)C1	2000161800	LDQYSGMPGJTWID-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1(C(C)C)CCC1	2000195216	ORVRLNIJNMEMCT-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CC(C)=C[C@H](C)C1	2000304093	QIVVMCADKUVVRU-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC[C@H]1CC12CCCCC2)NCC	2001215082	GZXYUCOXRSVDOJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1CC12CCCCC2	2001257435	WQPZPPKSXISFKP-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@@H](O)[C@@]1(C)CCCCC1(F)F	2002580616	CJHYUVJNNSDNBO-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@]1(C)CCCC1(F)F	2002594939	ZFGITFIFEQRKQQ-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CCC(F)(F)CCNC1CCCCCCCC1	2003094119	BODGNBAZYMUKNE-UHFFFAOYSA-N	247.373	4.514	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)CC1(C)CCCC1	2003174822	IDFBDYFBMIRULY-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1CCCC2(CC2)C1	2003285980	WGAVBGDTMQQYTQ-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2004192853	AYFWLSZGWKVRCZ-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
CN[C@H]([C@H](C)C(C)C)C1(C)CCCCCCC1	2004922169	FCDZNXWRCPBRQH-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@@H](O)CCCC(C)(C)C	2007624148	ZVLCUKNICNRARO-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CCCC(O)(CCC)CC1CC(C2CCC2)C1	2007760563	NMLSCHRGFWYSPI-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCC(C)(C)CCC1=O	2009404440	NHSXKPHWGUBUJP-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
C/C=C/CCCOc1ccccc1C(C)(C)C	2009566380	DBXMHQHDIHTGHS-AATRIKPKSA-N	232.367	4.719	0	10	BJAE	
CC=CCCC[C@@H](CCC(C)(C)C)NCCC	2009598960	UKWYUTWWAWYEJL-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CC[C@H]1CC=C([C@@](C)(N)CCC(C)(C)C)CC1	2010730159	VMRTVJPAZIJJBY-BBRMVZONSA-N	237.431	4.667	0	10	BJAE	
CC1(C)C[C@@H](O)C[C@H](CCC2CCCCC2)C1	2012049213	BRYHUEQTXMNDGT-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@@H](C)CC(C)(C)C	2013319042	JZAIBDXEHMITHA-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC[C@@H](C(C)C)N1	2013524602	OIVPDEYTNGEAAR-HOTGVXAUSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)[C@H]2CCC2(C)C)c1	2014903495	STVKIYGDXHCFAK-ZIAGYGMSSA-N	231.383	4.540	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C[C@@H](C)C(C)C	2015275683	RVHCGSXJDMDNPP-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C[C@H](O)C1(C)CCCCC1)C(C)C	2015279068	UEIZZEDJGLUFGI-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC(=O)[C@H]1CCCC[C@H]1C)C(C)C	2015387536	QXKSXLXSQAOVJA-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CCCNC[C@@](CC)(C[C@H](C)C(C)C)C(C)C	2015403091	YQIWZNWGCXBHRC-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1(CC(C)C)CC1	2015753394	QYDZFGZFRPQYHC-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@]1(C)C[C@@H]1C	2016464486	CJJUKFMKNRHCNT-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(C[C@H](N)CC2(C)CCCC2)CCC1	2017140794	KSTSCJGKLNAODP-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@@]2(O)CCC[C@@H]2C)CC1	2017647519	GFHBOFQAGFTLNU-LBDPXKHJSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CC[C@H](N)[C@H](C)CC)CC1	2017737139	ZWRTXFZMEMBUQB-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC12CCCCC2	2018128116	VHYMVXGFRJYSCO-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCC12CCC2	2018131254	SCAYMRLTGAOJOS-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@H](CC)NCC1CC(C(C)C)C1	2018131283	SJHUHHUFEAFUOY-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CC1(CCC)CC1)C(=O)O	2018962259	HUBIRLQBQUZTRB-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CCCC1(C[C@@H](O)C[C@@H](CC)C(C)(C)C)CC1	2018975090	IQJCDEGIBSZOHQ-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)CN(CCCC)C1CCC1	2020635430	MFJLZHAEMBNKTH-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1Nc1ccccc1Cl	2021076016	LHIYMCFBVUOIBJ-COPLHBTASA-N	249.785	4.577	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1C[C@@H]1C(C)(C)C	2022557524	OXOFHKJNLNSUND-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CCCCC(C)(F)F)CC1	2023352138	CUOIKFXSJKTSCO-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(CC)CN(C)CCCCC(C)(F)F	2023439391	UIZONFDXKLGXEQ-UHFFFAOYSA-N	249.389	4.570	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCC[C@@H]1C[C@H]1C	2026165544	CHOQVLDJVAUCKN-ZJIFWQFVSA-N	240.431	4.780	0	10	BJAE	
CC1(CCCNc2cccc(C3CCC3)c2)CC1	2027840538	RHXLAKBGNXTRGI-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)C1(C2CC2)CC1	2028105013	KOSCVJOOEIVTRH-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H]1CC[C@H]2C[C@H]2CC1	2028966177	ZFDUXUPRRICLGS-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](N[C@@H]1CC(C)(C)CC2(CC2)C1)C1CC1	2030281288	LKVMTHXDBAPJLX-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CC1(CCC[C@H](N)[C@@]23CCCC[C@H]2CCC3)CC1	2031755932	ABZFUTKYPGSNQL-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H](C[C@H]2CCC[C@H]2C)c2ccccc2N1	2032516256	XYJBIALGXWHPEI-KBUPBQIOSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1(C2CCCC2)CCC1	2033048975	QZPROTKQEPITCT-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1C[C@H]2CC[C@H](C1)C2	2033101940	WKZJDZLRTKDOJK-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](C[C@@H]2C=CCCC2)C1	2035599542	NDLYEECWEOIACZ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C(CCN[C@@H]1C[C@@H]2CCCC[C@@H]2C1)CCC1CC1	2035865210	RWBNAETUYAJTCP-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(N[C@H]2CC23CCCC3)CCCC1	2035885510	LIUZUGDXGBQDBC-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@H]1CC12CCCC2	2036102294	YKBKNVINZWSHRY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)CCCC1(C)CC1	2037179526	OAVIEGWCJHNUJF-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)C(=O)C1)c1ccccc1	2037873904	BTOIPHQBNWSGKM-KGLIPLIRSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CC2CC3(CCC3)C2)C1	2038081286	QFUKDISLTMGNPP-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C1CC2(C1)CC1(CCC1)C2	2039421960	PBXCRPZHKOXFKW-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2CC=CCC2)CC1	2041383335	MZDQIVFKGCXEKI-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)C1CC(C(=O)CC2CCC=CCC2)C1	2043009348	NNTHIADCPWZHOP-UHFFFAOYSA-N	248.410	4.764	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NCC1CCCCCC1	2043192330	CACQMDVLTJCSPH-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H]1C=CCCCCC1	2043194996	QTKFSRGWFFRWST-RDJZCZTQSA-N	247.426	4.744	0	10	BJAE	
CCC[C@H]1CCCN(C[C@@H]2CCC=CCCC2)C1	2045307304	JDWOQIGUTKZDHF-DLBZAZTESA-N	249.442	4.635	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC=CCCC1)[C@@H]1C[C@H]1C	2045324800	ZCLBQTAMTLBGFX-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C[C@H]1CCC=CCCC1	2045329357	NHKDAWGKMYGGDK-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)C[C@H]2CC23CCCCC3)C1	2047014533	CDTAJXLAAFJFGB-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CCCCC2)C1(C)CC1	2047016717	QOFFQJVJZDSFJY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@H]1CCC12CCC2	2047930350	AEKFMSODEQGKBC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC1[C@@H]2CCCCC[C@@H]12	2048470330	NOPNKICRSPAOCE-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C1[C@H]2CCCCC[C@H]12	2048530975	PYGWBNVVMMMZJA-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C(=O)c2cccc(C(C)(C)C)c2)C1	2048624552	RGINLTKHYGVROT-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C[C@H]2CCC3(CC3)C2)C1	2049928382	GUIAQFCWUATCBU-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1	2050456209	OFDZLHZMHKXKFN-QLFBSQMISA-N	244.378	4.640	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@H]1CC12CCCC2	2050459099	TVJMIIJNRAKZGZ-AWEZNQCLSA-N	242.362	4.538	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H](C)CC=C(C)C	2051402590	JUHBJALNSRBZIG-WBVHZDCISA-N	245.410	4.720	0	10	BJAE	
CCC[C@H](N[C@H](C)C1(C)CCC1)c1ccccc1	2052348280	JDTIKXILPOBQRC-ZBFHGGJFSA-N	245.410	4.696	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCCCC23CC3)cc1	2053306117	MNOBJTQQUCJZSQ-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H]2CCCCC23CC3)CC1	2053332040	MEDIQHXBSKKRQV-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CC(C2CC2)C1)CC1CCCCC1	2056674563	ANSUTRCXBIKFBM-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)c1ccc(C)cc1	2056875273	FMDJZFLUQKCAML-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
C/C=C/CCCC(=O)c1ccc2ccccc2c1	2059198354	MYKGOPMFLDGZIS-NSCUHMNNSA-N	238.330	4.769	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1C[C@@H]2CCCC[C@@H]21	2059262821	PDQYPILKUBWQFQ-YSBOKNOISA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(Nc2cc(CC)ccc2CC)C1	2059392377	QCMCUTDLPXHDLP-UHFFFAOYSA-N	245.410	4.802	0	10	BJAE	
CCCC[C@H]1NCc2cc(C(C)C)ccc2[C@@H]1C	2059469359	IVLBRKGWURYVEK-SUMWQHHRSA-N	245.410	4.576	0	10	BJAE	
CCC1CCC([C@H](N)CC[C@@]23CCC[C@@H]2C3)CC1	2061574468	HXXDTDCSFMPZBM-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC[C@]23CCC[C@H]2C3)C1	2061603024	QWUYWRGUQGMCGS-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@@H](C)CC1CC(=C2CC2)C1	2061659831	CBCPVAYDBWCCMS-QWHCGFSZSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CC(=C2CC2)C1)[C@@H](C)CC(C)(C)C	2061727960	DMIFFRZHZDJOEZ-LRDDRELGSA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](CC1CC(=C2CC2)C1)NC	2061731252	QYRPYIHAOBEWJM-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@](N)(CC1C[C@@H]2CCC[C@H]2C1)C1CCC1	2063496268	IOFYPDAGVCNONG-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1CC2(C1)CC21CC1	2063998849	DCNJAXDBCKMNNR-UJEKJILKSA-N	249.442	4.501	0	10	BJAE	
C1=CCC(NC2CCC3(CCCCCC3)CC2)C1	2065892259	JOBXQSOMKSVHKK-UHFFFAOYSA-N	247.426	4.578	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@]23CCC[C@@H]2C3)cc1	2070917069	IBZJCHHCDUXYKO-LXZKKBNFSA-N	244.378	4.769	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CC1(C(C)C)CCC1	2071956059	LFYCXMBYYSPFHV-HNNXBMFYSA-N	245.410	4.520	0	10	BJAE	
CC1(C(=O)C[C@@]23CCCC[C@H]2C3)CCCCCC1	2074111720	FIPHSLOCLBAOKH-YOEHRIQHSA-N	248.410	4.886	0	10	BJAE	
C[C@@H](C1CCCCC1)N(C)[C@H](C)c1ccccc1	2074781997	XHTAFEGILCUTRC-CABCVRRESA-N	245.410	4.648	0	10	BJAE	
C1=C[C@H](N2CC[C@@H]2C2CCCCCC2)CCCC1	2075404436	ZCJKYIUTTNQZEQ-DLBZAZTESA-N	247.426	4.530	0	10	BJAE	
N[C@H](CC1CCC1)C[C@@H]1C[C@H]1C1CCCCCC1	2079629942	UTBXJWNKOVJJEE-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CCCC1CC(N)(C[C@H]2C[C@H]2C2CCCCC2)C1	2079666765	SPGOHCFAEHXLAD-YTWPKEEVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1C[C@@H]1C1CCCC1	2079840564	CVNZCQRLYBXFPE-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C(=O)C[C@H]2C[C@H]2C2CCCCC2)CC1	2079867551	UYCSBWGTZKPNCH-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1	2081141208	ORFKSGOXTVFOTI-HYVNUMGLSA-N	243.394	4.766	0	10	BJAE	
CC(=CC1CCC(C)(C)CC1)[C@H]1CC[C@H](N)CC1	2082128929	DIKYYMDOXTWNQL-WKILWMFISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2C[C@@H]3CC[C@@H]3C2)C1	2082982653	MMNIOIPMTJJNIP-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(CC(=O)[C@@]23CC[C@@H]2C3)CC(C)(C)C1	2082986478	MMPBHYMTSLLOIW-CXAGYDPISA-N	248.410	4.598	0	10	BJAE	
C[C@H](C(=O)c1cccc(C(C)(C)C)c1)C(C)(C)C	2083554975	KXFNBSOJSBCNJT-GFCCVEGCSA-N	246.394	4.849	0	10	BJAE	
CCCCC[C@@H](CC)Oc1cccc(C(C)=O)c1	2086295953	QXHJUKJZDXSWPJ-OAHLLOKOSA-N	248.366	4.627	0	10	BJAE	
CCCC[C@H](C)NCCCCCCC1CC1	2210526568	GLFJPXUSWMURFV-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC(CCC)[C@H](N)c1scc(C)c1C	2210578839	QQZZXVUNDRYEEQ-ZDUSSCGKSA-N	239.428	4.581	0	10	BJAE	
CC[C@@H](C)NC[C@H](C)CCCCCC(C)C	2212583218	DGYZAMJEWZWGNP-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CCCCCCC2CC2)C1	2213580147	XPTMWOYOXJWDJC-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)NC[C@@]1([C@H](C)CC)CC=C(C)CC1	2217126813	CBDIBKJXRRREPP-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@H](C[C@@H](C)C(C)(C)C)C(C)C	2217145025	LGXIUXRZGRAYLM-ILXRZTDVSA-N	241.463	4.719	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218386376	ULYAYRYMLQJABP-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CCO[C@@H]1C[C@@H](CC=Cc2ccccc2)C1(C)C	2219077715	FYIPGYJXVQFBGP-HZPDHXFCSA-N	244.378	4.541	0	10	BJAE	
CCCCC[C@@H](C/C=C/c1ccccc1)NCC	2219087006	VTBZWOGNXXNNEU-RTGRKSDTSA-N	245.410	4.648	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@H]1CCCC2(CC2)C1	2220046502	TUXJUDXMANSXGM-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccnc(C(C)C)c2)C1	2220885826	QKXBILVYXRUBLS-KBPBESRZSA-N	246.398	4.586	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1(C)CC2(CCC2)C1	2220948234	IXPSJOQVYISAKJ-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C2(C)CC3(CCC3)C2)C1	2221004788	XQVZYAQNNGWBSA-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)CC1(C)CC2(CCC2)C1	2221028593	RGSCPOQIXZCEBS-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CC1=CC[C@@H](CN(C)[C@@H]2C=CCCCCC2)CC1	2221609343	IPVHXRHNGCTNGM-IAGOWNOFSA-N	247.426	4.554	0	10	BJAE	
N[C@H](CCC1CC1)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222980704	LRPSTJIBALYWNY-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](C)(CNC1CCC1)C1CC2(CCC2)C1	2223598196	SDNZAQSFKABBOS-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CC(C)(C)C2)C=CCCC1	2223600114	LJTBZRFYCIRIBB-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(O)cc(-c2cc3sccc3s2)c1	2246026681	IYIJXBUOJUYECW-UHFFFAOYSA-N	246.356	4.644	0	10	BJAE	
CCCC[C@H](C)[C@H](CCCC[C@@H]1C[C@H]1C)NC	2247159456	NHXBGGJCBJMLRA-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCN(CCCCC1CC1)CC(C)C	2252640282	SKIUTZKONJLBIT-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN[C@@H]1CCCCC12CCC2	2254520049	GWWGGBSRKVKKQO-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCCn1ccc2ccc(F)cc21	2254522546	PDUHOAXPZUMCKT-GXTWGEPZSA-N	245.341	4.607	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1CC2(CCCC2)C1	2254575434	DXKRGJMYGWGQGP-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC(=CC[C@@H]1CCCC12CC2)c1ccc(N)cc1	2255256763	RMYORSVRRYPIQS-HNNXBMFYSA-N	241.378	4.643	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)[C@@H](CC)CCC	2259441019	BOXFADDAOYNGDK-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CCCC1(C(=O)C[C@]23CCCC[C@H]2CC3)CCC1	2260585305	ADKMRVYESRRVQC-WMLDXEAASA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@]23CCC[C@H]2CC3)C1	2260650654	FVBRMZFWFLIHHC-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2C[C@@H]2C2CCCCC2)C1=O	2261436546	RCSVFXRQSIBMLW-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)([C@H](C)CC2CC2)CC1	2298911846	RQNSBRGUOVJJTR-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCOc1ccccc1C(C)(C)C	2300868241	WLQBCIRZZRXJOR-UHFFFAOYSA-N	232.367	4.719	0	10	BJAE	
CC(=CC[C@H](C(C)C)[C@@H](C)N)CCCC(C)C	2300902517	VJYRLJFNUJKWIC-HZPDHXFCSA-N	239.447	4.769	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)NCC1(C)CCCCCC1	2301687485	BKXJOSANEOKWOC-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)[C@@H](C)C(C)C	2301962403	SSPGNRYYBKVJRD-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CCCC[C@@H]3C[C@H]23)c1	2302917423	VOJAYTXVCLORRM-DYEKYZERSA-N	249.785	4.639	0	10	BJAE	
CCCC[C@H](C)N(C)C[C@@H]1CC[C@@H]1C(C)(C)C	2303512133	SHMSAWIKRHOXIS-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
CC[C@](O)(CC[C@@H]1CCC(C)(C)C1)CC1CC1	2304387122	LNYKQGRBVRLEQN-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC[C@@H]2CCC(C)(C)C2)C1	2304421441	YBTYRBJYNJAOJZ-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC[C@@H](CC)CC1	2307821655	DLVHQIIAJCLXAO-OWCLPIDISA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](O)c1ccc(C)cc1	2307823302	NDWXONPCGZCZJI-ZBFHGGJFSA-N	234.383	4.635	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CCC)[C@@H]1CC1(C)C	2307826073	ILDKTPKBTDOCSF-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CC(C)=C[C@H](C)C1	2307844543	OBXZDYHMYCLSCT-TUUVXOQKSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1N	2307900159	UHFANABIHGTWEF-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1CC(C(C)(C)C)C1	2307911669	XCAFAPUFQGJABR-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C1CCC(CC2=CCCOC2)CC1	2307918260	RPWDMOUJXBZBHD-UHFFFAOYSA-N	236.399	4.576	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCC[C@@H]3CC[C@H]23)C1	2310193493	CRXPMWOCMLLYBF-BHIOZNAESA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CC(=O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2312588853	GPGLPQVBDMTDBC-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312933920	PFOPSNUWJJSSMK-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@H]1C[C@@H]2CC[C@H]1C2	2312952591	KNKOWSYOKDEQEN-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]([C@H](C)CC1CC1)[C@]1(C)C=CCCC1	2313607943	HESZFJSXGINRGX-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1C[C@@H]2CCC[C@@H]2C1	2316503116	OHDVEQUJLVSLKV-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H]1C[C@H]2CC[C@@H]1C2	2316507924	GXTUADJAKKHYAJ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C([C@H](N)CCCC2=CCCCC2)C1(C)C	2318575758	IRDQESQAKUOJQC-CQSZACIVSA-N	249.442	4.667	0	10	BJAE	
C1=C(CCCN2CCC[C@H]3CCC[C@H]32)CCCC1	2318576524	QAYNLHSOWXVADD-IAGOWNOFSA-N	247.426	4.532	0	10	BJAE	
Cc1ccn([C@H](c2ccccc2)C2CCCC2)c1	2319679531	HNKDLYDUJOXXPJ-QGZVFWFLSA-N	239.362	4.576	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320101350	NTLRFVQQHBEUAJ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CC[C@H]1C(C)(C)C	2320213988	SSLLILZDMXXNCG-HUUCEWRRSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@@]1(C)C=CCCC1	2320220773	BRGXIYLKWLAEBN-VBQJREDUSA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)c2ccc(C)cc2)CC1	2320334982	AGCNOFITMULHHU-NVXWUHKLSA-N	243.394	4.521	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@H]1CCC(C)=C(C)C1	2320409396	UIGGMBSXBZDAQH-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2321623418	YCRGSAPSUHDNGH-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(NC[C@@H](C)C2CCC2)c1F	2327780358	BXXFAJXIUFBQHT-GFCCVEGCSA-N	249.373	4.797	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cc(C(C)C)ccn1	2327849654	ZXNHHAIHJDFKDN-UHFFFAOYSA-N	245.366	4.524	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CC)c1cccc(C)c1	2328211521	ZUWRUKICJXSFNK-DOTOQJQBSA-N	248.410	4.809	0	10	BJAE	
CCCc1ccc(NC2[C@@H](C)CCC[C@H]2C)cc1	20553145	JQIWHVTXASUKLG-VMZNBEPHSA-N	245.410	4.876	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)NC2CCCCCC2)c1	21509197	VMORHULCQSHLEH-OAHLLOKOSA-N	245.410	4.677	0	10	BJAE	
CC(C)[C@@H](Nc1ccccc1F)c1cccs1	37211230	WYBQEHSDHOSEET-CQSZACIVSA-N	249.354	4.696	0	10	BJAE	
CC(C)c1cccc(NCCc2ccsc2)c1	70246107	CDEQLPFZSRKCBD-UHFFFAOYSA-N	245.391	4.526	0	10	BJAE	
CC(C)c1ccc(CCC[C@H](O)C(C)(C)C)cc1	80478849	KOJUFZWWHHOKSD-INIZCTEOSA-N	248.410	4.540	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Oc1ccc(Cl)cc1	85150177	OFIRNDYBXYHSBH-SMDDNHRTSA-N	238.758	4.688	0	10	BJAE	
Cc1cc(F)ccc1-c1c(C)cccc1Cl	85389124	KOOQJGYCQLSJEP-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
CCCCCC/C(C)=C/CCNC(C)(C)C	86572946	SLHGVFUFJSGNOC-WYMLVPIESA-N	225.420	4.681	0	10	BJAE	
CN[C@@H](c1ccc(C)cc1)C1CCCCCCC1	86578984	KOTRCIXZZLNLAE-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCC[C@H]1CCC[C@@H](Nc2cccc(F)c2)CC1	86922553	XZEJHIUXAAWTJU-DZGCQCFKSA-N	249.373	4.987	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(c2ccc(C)cc2)CC1	86950872	SNNBFKMSPKKABZ-RDJZCZTQSA-N	246.394	4.563	0	10	BJAE	
CCCC[C@@H](NCCC)c1cc(C)cc(C)c1	93073885	KTTPXRPJEIZNRG-MRXNPFEDSA-N	233.399	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1/C(C)=C/CCNC(C)C	93675486	UAUKORZXWYFLNY-MMJTVPDGSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccc([C@H](O)C2CCCCCC2)cc1	109790674	GGGNKEDORCXSRM-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccccc1OCC	110154490	LPCVJGMWLTXTCI-CQSZACIVSA-N	249.398	4.714	0	10	BJAE	
CC(C)C[C@H](CNC(C)(C)C)CC1CCCC1	110183761	LLVQSSRGBWECCU-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc([C@H](CC)N[C@H](C)C(C)(C)C)cc1	122628683	RIWJRNFIDCEQLU-CJNGLKHVSA-N	247.426	4.724	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCC(C)(C)C2)cc1C	131308910	PQHNVFXIENFDNN-HOCLYGCPSA-N	245.410	4.533	0	10	BJAE	
CCCCCOc1cc(Cl)ccc1Cl	132398286	MDIWBJBDNPDEKY-UHFFFAOYSA-N	233.138	4.562	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc(C(F)F)c1	134499806	GRYFSJWHARBRDA-SNVBAGLBSA-N	227.298	4.615	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@@H](C)C(C)(C)C	162693976	FAQFRYTVWGXVDU-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC(C)(C)[C@H]1CC[C@@H](C)CC1=O	166168200	PMJRVCDJXLADQQ-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CC[C@@H](CC)C1	225992207	GQOZYHXSTLWZEK-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc([C@@H](N)[C@H]2CCCCC2(C)C)c(C)c1	226543672	SICRMGRECUVSRM-HZPDHXFCSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CCC[C@@H](CC)C1	227396578	URJNKAXECCOWMY-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](NC)c1cccc2ccsc12	228972338	NWNQUOXZQOBHLT-AWEZNQCLSA-N	247.407	4.742	0	10	BJAE	
Cc1cc(N)cc(NCCCCCCC(C)C)c1	232541324	OOCMLWBUUPKVSL-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1(C)CCCCC1	234042464	ISIRIVRPUMQMKX-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCC[C@H](C)CC2)C1	251769079	MHZJRLLZCQFHPX-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@H]1CCC[C@H]1C	300280786	XMDXCVSNUXCYFU-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)[C@@H]1C[C@H](c2ccccc2)CCC1=O	300466279	NIRYZIDHFRGDJA-IMJJTQAJSA-N	244.378	4.576	0	10	BJAE	
C[C@@H](C[C@@H](O)CCCC(C)(C)C)c1ccccc1	305918870	LINAJEXDUHCIGH-HOCLYGCPSA-N	248.410	4.758	0	10	BJAE	
N[C@@H](CCC1CCCC1)CC1CCCCCC1	305924943	IQCDIRWNTYEMKU-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(N[C@@H](CCC(C)C)C2CC2)cc1C	306038958	MWWMFMLQAXKLGF-KRWDZBQOSA-N	245.410	4.930	0	10	BJAE	
CCc1cc(Cl)cc2scc(Cl)c12	307131942	UOHMXJGQKXQFSE-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CC1(C)CCC(CC(=O)c2ccsc2)CC1	309389921	BUDDXJZUQYYBOV-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
CCCN[C@@H](CC1CCC(C)(C)CC1)C(C)C	310141118	NBWOFQYJNZLXJS-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)CCC1CCC(C(C)C)CC1	310405924	KLJBFNCSGOGIAP-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)C(C)(C)C(C)(C)C	310551817	GPVUYCPRYQHBBT-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](CC)c1cccc(C)c1	310716460	WORXAZIFGAUWDC-LXZKKBNFSA-N	247.426	4.860	0	10	BJAE	
CCC[C@H](Nc1ccc(C)c(F)c1)C1CCCC1	313392362	FJAQYJSGJFXHBG-INIZCTEOSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H](N[C@@H](C)c1ccc(C)cc1C)C1CCC1	322613148	CVSDMVPVCCKFCN-WMLDXEAASA-N	245.410	4.533	0	10	BJAE	
Cc1cc(N)c(F)cc1-c1ccc(C(C)C)cc1	381149906	ZWIGUECCROMSHJ-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CCN[C@@H](CCC(C)C)C[C@H](C)c1ccccc1	384919350	PFPUQGOLDKJQIX-RDJZCZTQSA-N	247.426	4.595	0	10	BJAE	
CCCNCCC(C)(C)CCC1=CCCCC1	385019726	ZPEZPAKDVOZXSL-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC(C)CCCCCNCC1CCCCCC1	389694276	BMICLWSVYQMKCG-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cccc2ccsc12	395368807	OBNYHNPARFUBJI-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CCc1ccc(SC)c2scc(CC)c12	396177672	MMJTXKZGKOWCJT-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cc(C)cc2c(C(F)(F)F)csc12	396293098	AVAIGOKCGCDSSQ-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@H]1C[C@H]2C=C[C@H]1CC2	402362047	XVMZLJDNYSJHFS-VIQHNZTISA-N	249.442	4.523	0	10	BJAE	
Cc1ccc([C@@H](O)CCC(C)(C)C2CC2)c(C)c1	406097694	GJXNJXXKUOBIKF-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
CC(C)c1cccc([C@H](O)C2CCCCCC2)c1	688936531	AJKBUDZAZXGDCJ-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1cccc(C2CC2)c1	690075697	KNTQJONZIPPOPL-CXAGYDPISA-N	243.394	4.945	0	10	BJAE	
C[C@H](Nc1cccc(C2CCC2)c1)[C@@H]1CC1(C)C	690165717	ZRGIUEDSPXEZIT-LRDDRELGSA-N	243.394	4.801	0	10	BJAE	
CCCCC1CCC(N)(CC2(C)CCC2)CC1	690556028	UZZVXWCNVCFVON-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCCC[C@H]1CC1CC=CC1	692011132	QUKKMZLVIDODLV-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC([C@@H](N)CC2CC=CC2)CC(C)(C)C1	692011456	WCBULSWIZPXRQG-HNNXBMFYSA-N	249.442	4.523	0	10	BJAE	
C[C@H](CC(=O)CC(C)(C)CC(F)F)C(C)(C)C	694655371	INVNWEOFPKXMTK-SNVBAGLBSA-N	248.357	4.699	0	10	BJAE	
CCC(C)(C)CC[C@H](O)CC1CCCCCC1	696571289	IHIBMKQNFWFGCN-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cccc(C)c1F	696671271	HCNMZNZJWDDTGF-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CCC(C)(C)CC)C1	696751119	UBMBACAXEBYEJK-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@H](CN)C1CCCCCC1	696845995	YGKBPYKJMLDDAB-HNNXBMFYSA-N	239.447	4.748	0	10	BJAE	
CN[C@@H](c1ccc(C)cc1C)[C@H](C)CC(C)(C)C	704729851	PWPVVUCBYCJORJ-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
CC[C@](N)(CC1CCC(C)(C)CC1)C(C)(C)C	704846924	FKNAIYGAIKPCCN-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCC[C@@H](N)C1CCC(C(C)C)CC1	704890368	AGQHVTUVBSWQIW-UYSNPLJNSA-N	237.431	4.523	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@@H]1CCCC12CC2	706283598	JRJARVLBUWLGLL-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc([C@H](NC)[C@H](C)CC(C)(C)C)c1	708309840	GJKXJNFYPHYULE-CZUORRHYSA-N	247.426	4.582	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)CCCCC1(C)C	709149491	VYQGIHHUUGXBME-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CCC[C@H](C)CC(C)(C)C)C(C)C	709182251	BMBSSLRMHNLTBB-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](C[C@@H](CC)C(C)(C)C)C1CCCC1	711068742	KVWUDNJQAIXPST-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](CNC(C)C)C[C@H](C)C(C)(C)C	711185169	UUVCSPVQAJDORB-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)C[C@@H](C)CC(C)(C)C1	711278585	KKFVVIRMQVCQII-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H](C)CC(C)(C)C	713177012	SZLMLGIWCRZSMT-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C12CCC(CC1)CC2	713305926	MKWFXEKBQRPMDW-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@H](N)CCCC(C)(F)F)C(C)(C)C	718610478	JHWCUVVRCOOCST-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C[C@@]1(C)CC	720953027	MSAPYCWXCNPTQG-BZUAXINKSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CC)C(C)(CC)CC	723107395	YTXGMAHAEMLNAE-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N(CC)Cc1c(C)cc(C)cc1C	1559877652	FZTXWDUCRJHWCW-UHFFFAOYSA-N	247.426	4.622	0	10	BJAE	
C[C@H](SC1CCCCC1)c1ccccc1F	1643506422	AUYGPNDPYJVFEU-NSHDSACASA-N	238.371	4.953	0	10	BJAE	
CCN(CCC(C)(C)C)c1ccc(C)cc1C	1657586324	GODLUOHVBSFFJL-UHFFFAOYSA-N	233.399	4.566	0	10	BJAE	
CC[C@@H](C)C=C(CNC(C)C)C1CCCCC1	1877095385	IRWBDWCXAAJEGY-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C=C1CCc2cc(N)ccc21)CC	1880483731	HUFASCMQKPZHFJ-CYBMUJFWSA-N	243.394	4.815	0	10	BJAE	
CC(C)[C@@H](C)c1csc(-c2ccccc2)n1	1901666722	LRDHIEJYCMWVMM-LLVKDONJSA-N	231.364	4.570	0	10	BJAE	
CCC[C@@H](CC)C[C@@](O)(CC)CCC(C)C	1905384668	XVFRBGRAVVTQPM-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)c1ccsc1	1905436023	WIXWAVNTHGXFRQ-OCCSQVGLSA-N	239.428	4.615	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC[C@@H]2C[C@H]2C)C1	1908546584	GVHPNSUDHCJPDK-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCNCC(=C[C@@]1(C)CC1(C)C)C1CCCCC1	1911864081	MMECTFOXGCMWSM-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CNCC)C=CCC1	1916345103	SDJPJKVCMPWYLO-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](O)(CC)CC1CCC(C)CC1	1919523420	KLMRSTZAJXVNIY-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@H](C)C1CCCCC1	1924081958	VKUJGJDJZNCMPB-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CCC(F)(F)CCC(=O)[C@H](C)C1CCCCC1	1924105075	MRIYSLOETZDLOL-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCNC[C@@H]1CCC[C@H]1C[C@@H]1C=CCCCC1	1925891170	IOVNSHDELZBHMA-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)C[C@@H](CCC1=CCCCC1)NC	1926381861	MGOUMPNNXWASKD-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2C=CCCC2)C[C@H]1C	1932605594	XRWNLHKQULMYSC-KBXIAJHMSA-N	206.373	4.805	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccc(Cl)cc1C	1939404501	FYLLCXOYJGAEMP-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
CCCNC[C@@H](C)[C@@H](C)CC1(C)CCCCC1	1940411208	VBYFUICZTRJWKC-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](CCCC1(C)CC1)NC	1940880570	BBTHHZRTUOMDRD-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@H](CC)C(C)C	1941271890	GLOWNHRFSSJDNX-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CCCCCC1(C)C	1941358489	LEUTYHITMPVVJS-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CCC2CCC2)CC1	1941472086	KBFJXVDFEKZJNJ-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C)NC1CC2(CCCCC2)C1	1941799276	ARAYOHZTDHNLGE-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CCC1([C@H](NC)[C@H](C)CCC(C)C)CCCC1	1942653253	OPZUQPJHKQYJHN-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CC1C[C@H](C)C[C@@H](C)C1)C(C)(C)C	1944200576	VZBTYYFZAUNVCK-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944794834	MEKYNWKOQVTFRS-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(C)c(CC[C@@H]2C=CCCC2)c(C)c1	1947552487	OZLACNXTOKPXTG-MRXNPFEDSA-N	228.379	4.901	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)[C@H](C)CCC	1947589496	SILRPLMCSUCHTA-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC)CCCC(C)(C)C1CC1	1948848701	OTTWHLDRTZWAAS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@]1(N)C[C@H](C)CCC1=C(C)C	1949087842	IDBJPNKIZXSPKM-CJNGLKHVSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2CCC(C)(C)C(=O)C2)C1	1949655096	AYKWXJOOKYNFGP-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CO)CCCC(C)(C)CC1	1950909804	AEODGDGLKFEMAR-GDBMZVCRSA-N	240.431	4.782	0	10	BJAE	
CCN[C@H]([C@H](C)CC)[C@@H]1CCCC(C)(C)CC1	1950913262	FYCZICQTKNLXJL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(NC2CC[C@@H]3C[C@H]3CC2)CC1	1966012758	XCIUVHVBGMBTAJ-LVDPKSTMSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C)c1OCC[C@H]1CCC[C@H](C)C1	1968269423	BFAROUYVAXABRJ-XJKSGUPXSA-N	246.394	4.899	0	10	BJAE	
CCC1(C)CC(N[C@H](C)c2cc(C)ccc2C)C1	1973590241	LUUXVGSKQKVLAH-HPUBIQBYSA-N	245.410	4.533	0	10	BJAE	
CCCCC[C@H](NCC)C(CC)(CC)CC	1978565015	VCOFTYZQTLBFSG-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@]1(C)C=CCC1	1980477975	ROYVNQZOXCSILK-HNNXBMFYSA-N	222.372	4.518	0	10	BJAE	
CCC1(CC)CC(O)(CCCC(C)(C)C)C1	1984393586	ITQHTEZIMFDZJA-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](CNc1ccc(F)c(Cl)c1)C(C)C	1988764977	QCEZLXDRJNPKNA-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CCC/C=C/CNc1ccccc1SC1CC1	1996556584	YLUSKVNPFQLOIU-QPJJXVBHSA-N	247.407	4.709	0	10	BJAE	
CCCNCCC(C)(C)[C@H]1CCCC(C)(C)C1	2000162855	OBXBJTKIRRVSEH-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CSc1ccc(NC[C@]2(C)CC=CCC2)cc1	2001700433	SDUUDGVZIYMRIG-OAHLLOKOSA-N	247.407	4.567	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCCCCCC[C@H]1O	2003112884	YRKOYULHYCMFTP-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCCCC(F)(F)C1	2003206522	XJFSKMLPJIQROU-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
Cc1cscc1C(=O)CC1CCC2(CC1)CC2	2003284587	IKHWQGUMLJNHPV-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCN[C@H](CC[C@H]1C=CCCC1)c1cccs1	2003683827	AXFUDKQYBIFVPU-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC=C(C)C)CCC1(C)C	2004228880	QIFZBKBDJROOLN-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C1=CCC(c2ccc(-c3ccccc3)cc2)C1	2005771917	ALPWPHOZVQIVBL-UHFFFAOYSA-N	220.315	4.787	0	10	BJAE	
CC[C@@H]1C[C@H](CCCC(C)(C)C)C[C@H](NC)C1	2006630388	WJJIEILEHDYROO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCC1(CNC(C)(C)C)CCCC1	2009611216	KLQHMSKMRCOURO-AATRIKPKSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(O)(C[C@H](C)C(C)(C)C)C1	2009714365	OVJBWUCSPGNJNG-HLIUYOAVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010706488	UTKWUWSXAFAHNW-CFVMTHIKSA-N	237.431	4.523	0	10	BJAE	
C[C@H](C[C@H]1C[C@H](O)CC(C)(C)C1)CC(C)(C)C	2012065208	VYASKNAJZOMOTE-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CC1CCC(C[C@H]2CC(=O)CC(C)(C)C2)CC1	2012084583	PMMQDVDLJOVHFH-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCC(=O)[C@@]1(C)CCCC(F)(F)C1	2014953395	CJKPGKFQRNGLDT-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@](O)(CC(C(C)C)C(C)C)C(C)(C)C	2015279015	TUHORHUJTHCXAK-MRXNPFEDSA-N	242.447	4.882	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1(C(C)(C)C)CCC1	2017131333	OGDZVSUSFDNWMC-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CCC(CC)(CNCC(C)C)CC(F)=C(C)C	2017462820	FQTSWBQIXALFQA-UHFFFAOYSA-N	243.410	4.692	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)[C@@H](C)CC(C)C)CC1	2017652910	MOCSDWCIAVLZCF-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(C(F)F)cc1	2017744497	ZBMDQULCQIBNOG-SNVBAGLBSA-N	241.325	4.861	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2CC2(C)C)CC1	2017776282	MVGGCZIDTHNXBN-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)C1[C@H]2CCCCC[C@H]12	2018130451	OKOQWZYMNFEOCX-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@@H]1CCC=CCCC1	2018181585	LPCIUBBEEVKYKA-CVEARBPZSA-N	237.431	4.633	0	10	BJAE	
CCCC[C@H](CC)CN1CCCC[C@@H](CC)C1	2019188205	GYMPQUDZBMNDLR-JKSUJKDBSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](C)N(C)[C@H]1CCC2(CCCCC2)C1	2019305917	PKBXREYJTKTKIV-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
Cc1cc([C@@](C)(N)CCC2=CCCCC2)cs1	2019846688	OVMMZQAGWBELTG-HNNXBMFYSA-N	249.423	4.511	0	10	BJAE	
C[C@H](CCCCC(C)(F)F)c1cccc(N)c1	2023296231	JFFQBLMQORHPCU-LLVKDONJSA-N	241.325	4.588	0	10	BJAE	
CCN[C@H](CC)[C@H](C)C[C@H]1CCCC(C)(C)C1	2024101196	IVXFDKAOHRFPHZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C1=CCC(Cc2ccc(-c3ccccc3)s2)C1	2025601183	TUAFDSAKLKHULQ-UHFFFAOYSA-N	240.371	4.924	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@@H]1C=CCC1)NC	2026173132	ZEIDILVXQXHKKD-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
c1sc([C@@H]2C[C@H]3CCCC[C@@H]32)nc1C1CCC1	2026543741	DAHQUWKCPRRCAI-FRRDWIJNSA-N	247.407	4.704	0	10	BJAE	
Cc1ccc2c(C3CCCCC3)coc2c1F	2026604089	XDZAIXPTVPJCTD-UHFFFAOYSA-N	232.298	4.928	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CC1(C)C)C1=CCCCC1	2027815194	MEFIPZSOBJPQIP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@H]1CC2CCC1CC2	2027815639	OTDNVEOHMQYVQO-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CCCC2CCC2)CCCC12CCCCC2	2028486266	STJFZBGHRHWEFA-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)c1ccccc1C1CC1	2028549343	MBHCSEQUKJCRKY-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)CC1CCC=CCC1	2028870887	VHXZOXRKLNOHLL-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1CCC2(CC1)C[C@H]2N)C1CCCCC1	2030092193	XNDPKZHMHZKXPM-DKVOJFQGSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@]12CCCC[C@H]1CCC2	2031754022	GGBIHOTTWYJGAX-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C(=O)c1cccc(F)c1)C1CCCCC1	2032305967	NCVGPCZIPXLDGL-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
O=C1[C@H]2CCCC[C@H]2C[C@H]1CCC1CCCCC1	2034264574	QWTKHKNOLXYOPL-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
NC1(CC2CCC=CCC2)CCC2(CCC2)CC1	2037204548	BBFZADFGVCLRNN-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC(C)C1([C@H](N)[C@H]2CCC3(CCCC3)C2)CCC1	2037699660	CQEJBJGQNHMABR-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@H]2CC23CCCCC3)C1	2039079008	NESKMFHMUCVSGB-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CCC(C)(C)C1CC1	2039434668	LATPOVAPNRDURN-BPUTZDHNSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(N)CC2(CC(C)(C)C2)C1	2039463102	BLCZHRHNAARNOZ-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC1(CCNC2[C@H]3CCC[C@H]2CC3)CCCCC1	2042049261	DCVBNHAGTFNGIH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1(CCC[C@@H]2CC2(C)C)CC=CCC1	2042091801	OTXQSPYUGRQGCP-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C[C@H]1C=CCCC1	2042748636	YWLHTWNNLSICCJ-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CC([C@@H](N)C[C@@H]2C=CCCCC2)C1	2042998515	RAABDSVWRRLBDG-LMPOIIKSSA-N	249.442	4.523	0	10	BJAE	
CC(C)C[C@H]1CCCN1C[C@H]1CCC=CCCC1	2045312475	OHEKJVJPTRENIP-DLBZAZTESA-N	249.442	4.633	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)C[C@@H]1CCC=CCCC1	2045329713	QDDQOVURPCHGAF-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C23CCC(CC2)CC3)C1	2045457872	OJJGGHZUNFLNCG-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@](C)(CN)CC(C)(C)c1ccccc1	2045983871	IIQDDSZHQNYUFB-QGZVFWFLSA-N	247.426	4.510	0	10	BJAE	
CCc1ccc(NC[C@@]2(C)CC=CCC2)cc1C	2047725499	DAVWBPKRVNVNKS-KRWDZBQOSA-N	243.394	4.716	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H]2NCC23CCCCCC3)C1	2049509107	QFMPDPPCOWDIOQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@H](C)[C@@H]1CCCC(C)(C)C1)c1ccco1	2049528959	MVGLCMVQLITSSQ-MGPQQGTHSA-N	249.398	4.535	0	10	BJAE	
N[C@@H](CC[C@@H]1CCC2(CC2)C1)CC1CCCCC1	2049844415	AKQHEMZXHOSMSZ-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)C[C@@H]1CCCC2(CC2)C1	2049846115	PXIXMYYOQUQFCO-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@@H]1CC[C@H](C)C1	2053921924	HVUWTZSXHZGPBP-JJRVBVJISA-N	245.410	4.636	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H](C)C2(C)CCCCC2)CCC1	2055547023	QMKHAEYJNDPGCC-HOTGVXAUSA-N	249.442	4.824	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H]1CCC[C@@H]1C(C)C	2056881428	DZHXKWLCQXUBFC-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@@]3(C(C)C)C[C@H]23)c1	2058564055	ZMEJBXDQLNJIBH-INMHGKMJSA-N	243.394	4.540	0	10	BJAE	
CCC1(C)CC(Nc2ccc3c(c2)CCCC3)C1	2058834898	IGWGCRIOYHEEIZ-UHFFFAOYSA-N	243.394	4.556	0	10	BJAE	
CCC1(C)CC(Nc2ccc(C3CCC3)cc2)C1	2058835956	WVMLFDJMPSKVOR-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1(C2CC2)CCCC1	2059267066	LMFMLUUJKDRABH-WMHVBEDNSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)[C@@]1(C)CC1(C)C	2060928868	IEWPLMHFXXWXRP-FRFSOERESA-N	249.442	4.537	0	10	BJAE	
CCC1CCC([C@@H](N)C2=CCC(C)(C)CC2)CC1	2061087536	GNSKPIIHFLJIPB-ZBCRRDGASA-N	249.442	4.667	0	10	BJAE	
C=C=CCCC1(CNCCC)CCC(C)(C)CC1	2061564177	WUKSTBXWWIFNAJ-UHFFFAOYSA-N	249.442	4.694	0	10	BJAE	
C[C@@H](C(=O)CC1CC(=C2CC2)C1)C1CCCCC1	2061696940	WVWGIZUDZOTSSL-GFCCVEGCSA-N	246.394	4.662	0	10	BJAE	
CC(C)C1CC(C[C@@]2(N)CCCCCC23CC3)C1	2062009851	QJJOFTGPAPPOKP-DQPZFDDXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@](C)(N)C1CC2(CC2)C1)C1CCCCC1	2064490112	WUCLTQAYEIHBRB-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC12CCC(CC1)C2)CC1CCCCC1	2065333832	XFMRWNWMGZDTKN-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NCC1(C2CCCC2)CC1)C1(C)CCCC1	2067518001	SZCNLGLIDPWTAZ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2C=CCCC2)CCC1(C)C	2068233078	LGTWVZSINUYJIY-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1CC12CCC2	2069182125	KJCHWXBEKSMECD-HNNXBMFYSA-N	244.378	4.687	0	10	BJAE	
CCCC1(C[C@H](N)CC2CC3(CCC3)C2)CCC1	2069340474	VSXZBMIFPDMNQN-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(C[C@@]23CCC[C@H]2C3)C1	2070966919	LEXHMXMZGGHOLL-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C[C@H]1CC[C@H](C)CC1	2072799723	WMEIVSGVUCYNKK-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(CN[C@@]2(C)C=CCCC2)CC1	2072801916	RYFAYRSXQASDCY-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CCC1(CN2CCC[C@H]2C2CCCCCC2)CC1	2074594816	OOWKYOJPJPIVBQ-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2Cc3ccccc3[C@@H]2C)C1	2074892386	NEPDJRCRPJDRAD-LZWOXQAQSA-N	243.394	4.532	0	10	BJAE	
CCN([C@@H](C)C1CCC1)[C@H]1CCC12CCCCC2	2075009713	APYUDHXOQIBGOX-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
CC=C(CC)[C@@H](NCC)C12CCC(CC1)C2(C)C	2077187059	JAAZRPMDCYSAIX-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
c1ccc(C2CCC2)c(NC[C@H]2CC23CCC3)c1	2077264491	SYHIKIHGMAIBBF-CQSZACIVSA-N	241.378	4.556	0	10	BJAE	
Cc1cccc(N[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1C	2077363276	XKMDZMOGUUVPGS-DZKIICNBSA-N	243.394	4.540	0	10	BJAE	
NCC1(C[C@H]2C[C@H]2C2CCC2)CCCCCCC1	2079312465	QDRGEZYQQDNPTH-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
CC1(CC(=O)[C@H]2C[C@@H]2C2CCCCC2)CCCC1	2079491093	GWYNOXXPDAZLKG-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
Cc1ccccc1NC[C@@H]1C[C@@H]1C1CCCCC1	2079638508	CVMYUMYRZVLLIL-JKSUJKDBSA-N	243.394	4.623	0	10	BJAE	
CCCC1(NC[C@@H]2C[C@@H]2C2CCCCC2)CCC1	2079650832	MUDUTTHCUDEEEH-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(OC[C@@H]2C[C@@H]2C2CCCCC2)c1	2079802996	LUNOZHHVINBKLY-DOTOQJQBSA-N	244.378	4.590	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@H]1C[C@H]1C1CCCC1	2079861883	HHZJIPDVGOGHCG-RDJZCZTQSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)C=CCC(C)(C)C2)C1	2082977752	BEQFVTYQVDKQBR-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](CCC1CC2(C1)CC1(CCC1)C2)NC	2083614854	FESAQHWKOOCYKP-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC1CC2(C1)CC1(CCC1)C2	2083645000	RORKFKTVNXDAHQ-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCC1CC(C[C@@H](N)C[C@@H]2CCC=CCCC2)C1	2084999555	XMVQFHQOXYMGKR-MYBQVCMBSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C[C@H]3CCC[C@H]2C3)c1	2086154855	XYJCITAJJBRBSN-JLJPHGGASA-N	243.394	4.801	0	10	BJAE	
C[C@@H](CC(=O)CCCCC1CC1)C(C)(C)C	2211106920	HDYAVAMEECRDBK-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCc1cc(Cl)ccc1NC1CC(C)(C)C1	2212652121	NDIJVIYWJQRUMP-UHFFFAOYSA-N	237.774	4.503	0	10	BJAE	
N[C@@H](CCCCC1CC1)CCC1CCCCC1	2214575378	YPKANLIKCULPBZ-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC1(C)CC2(CCC2)C1	2215392659	HDLLTSFIEHQTKH-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CCC(C)C)C=CCCC1	2217123732	ATPHKGCRYIEOFG-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](CC)(CNC1CCC1)C1CCC1	2217125506	QBAWFPFNTUDYJD-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)[C@@H]1CCC1(C)C	2217154269	SFYZSVNWUDYSFL-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(CC2(N)CC(CC3CC3)C2)CC1	2218493929	OCFQWCJVSXZIRU-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C(CCN[C@H]1CCC[C@@H](C2CC2)C1)CCC1CC1	2218749408	IYDHZFWZSLGZQP-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC)CC=Cc1ccccc1	2219089893	GMQNQDACWGNNRX-DOTOQJQBSA-N	245.410	4.504	0	10	BJAE	
C[C@H]1CCCC[C@]1(C)NCC1(C)CC2(CCC2)C1	2221015126	GPJQNYSPMODYDE-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)cc(NCC2(C)CC3(CCC3)C2)c1	2221025408	KXIMOUNFLDQKAM-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CCN[C@H]1CCCC[C@@H]1CC1(C)CC2(CCC2)C1	2221042683	ZDNGKPQQYMTGSN-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CC1(C)CC2(CCC2)C1	2221082974	FCEROQLRFZMRGQ-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@](C)(NC[C@@H]2CCCC(C)(C)C2)CC1	2221606840	JRYCFPCBDFJFAZ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C1CCCCCCC1	2221928037	LMFZHSSOQHZZKB-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
O=C(CCC[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC1	2222956203	ZXOJBTPYCWCFIW-IIAWOOMASA-N	248.410	4.742	0	10	BJAE	
CC=CCCCc1cc2sccc2s1	2242454985	VSLCATDLQQCMIC-UHFFFAOYSA-N	222.378	4.862	0	10	BJAE	
CC(C)SCCCCCCCCCCCO	2244425773	XLQXEDLFEIMAMU-UHFFFAOYSA-N	246.460	4.631	0	10	BJAE	
CCCCCC[C@](C)(O)CCCC[C@@H]1C[C@@H]1C	2247115644	LVPXZWDCUYLDSR-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CC1=CCCCC1	2247511260	MJXQJSRBXISEMJ-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](CCCCCC[C@H]1C[C@@H]1C)CC(C)C	2248812556	AVADAWABSMMWCV-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@H](C)CC(C)(C)C)NC	2250353195	SCWZXAQRGCEQPT-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@@H](CC)CCC	2250359915	UNOHZFBCQXJLQC-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CN[C@H]2CCCC[C@H]2C1	2253819167	SOXFRFORJOSJJW-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)C2(C3CCC3)CC2)C1	2253938701	NIHOWVLHQDJDQY-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)[C@@]2(C)CC=CCC2)C1	2253938841	OKOTYJUVKZPLLU-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
Cc1ccccc1[C@H](O)CCCCC[C@H]1C[C@@H]1C	2254532744	LWLHSZXRWPPFJQ-YQQAZPJKSA-N	246.394	4.635	0	10	BJAE	
C[C@@H]1C[C@H](C[C@H]2CCC2(C)C)c2ccccc2N1	2255026471	ITUHCYKOPDVJOW-MGPQQGTHSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](C1=C[C@H]2CC[C@H]1C2)[C@H](CC)CCC	2259453565	KGRWICAAABWOSC-IVSAIRAKSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)c1ccccc1	2259622792	AKVOECNTWHYNBS-NVXWUHKLSA-N	247.426	4.929	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@]23CCCC[C@H]2CC3)C1	2260499954	HPFLYQRVCZIVLF-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@]23CCC[C@H]2CC3)CC1	2260581138	CVXQFMUTURONEO-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(OC[C@@]23CCCC[C@H]2CC3)cc1	2260646734	MXZIVKKHNHMBJF-RDJZCZTQSA-N	244.378	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@]23CCC[C@@H]2CC3)C1	2260673098	QTFXTYPEOIUNPU-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC1CC(C)C1)C1=CCCCCCC1	2261492129	XTJQEQJWJGSORT-DQPZFDDXSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCC[C@@H]1C[C@H]1C	2297876669	QADKLPBXIALFRR-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](CC[C@@H]1C[C@@H]1CC)NCCC	2298127277	VJIJYVKRTXTERG-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@H](C)CC1CCC1	2298846619	CGQUGFZIPCXRTC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@H](C)CC1CCC1	2298929759	CISPIFRTSVLJMT-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CCC(CC)CC)CNC1CC1	2300676918	UDNXZCVKYSTMPE-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(=CCCC[C@@H](N)C(C)C)CCCC(C)C	2300889648	XGLQGLAMGSHAPI-MRXNPFEDSA-N	239.447	4.913	0	10	BJAE	
CCCC1CCC(N[C@@H](C)[C@H](C)C(C)C)CC1	2301712151	XTSPOCXITFIXKO-QVOMUQBLSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1cccc2ccsc12	2301827489	BRVVNKYYGSNAEN-NEPJUHHUSA-N	247.407	4.994	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H](C)[C@H](C)C(C)C	2301831052	BBXPTERAIFZITK-KGLIPLIRSA-N	229.367	4.803	0	10	BJAE	
C[C@@]1(C(=O)CCCC2=CCCCC2)C=CCC1	2302340389	JLSJQAOETMTIGV-MRXNPFEDSA-N	232.367	4.583	0	10	BJAE	
CCc1cscc1NC[C@H]1C(C)=CCC[C@H]1C	2302882297	HYNFKMLXBRMLJA-OCCSQVGLSA-N	249.423	4.715	0	10	BJAE	
Clc1ccccc1NCC[C@@H]1CC[C@H]1C1CC1	2303159889	SAYBYWNMWKAQIQ-STQMWFEESA-N	249.785	4.578	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@]2(C)CC2(C)C)CC1	2303586028	ZAIMQMMZVPATMN-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)CN1CCC[C@H](C(C)(C)C)C1	2307750635	XGHBFSCCHNPWGB-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@](N)(CCCC1CCC1)C2	2308400821	PVOJVRKNAHCBNF-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2311275126	YZWFUWJEMGNRMV-MIGQKNRLSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312939844	KNTPIVMCNJZZGN-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@]12CCCC[C@@H]1CC2	2313290864	LKBASNCPLUYBLB-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)c1ccccc1C1CC1	2313692115	LDJXFBXXFXQQJU-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CCC(CC)CC[C@@H]1CCc2ccccc2C1=O	2316274218	XOGWZWGNTZWTPX-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316750235	RHCICJRHKNAHEF-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)CC2CCCCCC2)C1	2316869856	LJUYHHCSLVBPDI-JQFCIGGWSA-N	249.442	4.667	0	10	BJAE	
Nc1ccc2c(c1)CC[C@@H]2CC1CCCCCC1	2317000282	BDXKDWQOMRAWGZ-CQSZACIVSA-N	243.394	4.659	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCC2CC1C2	2317932840	YLVYTAUIRPXSHG-KOHJWAIASA-N	247.357	4.550	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1C[C@@H]2CC[C@H]1C2	2317945243	QQNAUEHGRXXYOR-PMPSAXMXSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCCCC1=CCCCC1	2318529598	RVRSBCTYBHFDBQ-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
CCC1CC([C@H](CCCC2=CCCCC2)NC)C1	2318575246	CMHYLHXFGHSVCJ-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCCCC1CC1)[C@@H]1CCC2(CCCC2)C1	2318877406	LWFWFIDGUVAFJD-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](O)[C@@H](c1ccccc1)C1CCCC1	2319597451	NAWBAGRDCVISMX-IRXDYDNUSA-N	246.394	4.512	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(O)CCCCC23CC3)CC1	2320337800	PVWROPBUQAYDMR-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CNCCC2(C)CCCC2)CC1	2320406784	SHPIRUKSFRMMKF-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CC[C@H](C)[C@@H]2C(C)C)CC1	2320424660	SJIOWLVAPQBPBZ-SVGFKBNWSA-N	249.442	4.536	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1)c1ccc(C)cc1	19992701	VFOWXWWQESCCTE-QGZVFWFLSA-N	239.362	4.867	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@H](C)C2)c1	21790171	ROYSLPQSEITQJL-DZGCQCFKSA-N	231.383	4.801	0	10	BJAE	
C1CCC([C@@H]2CCCC[C@H]2NC2CCCC2)CC1	34994953	QLTAZAPUVKVHTH-DLBZAZTESA-N	249.442	4.658	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](CC)c1cccs1	36792005	IZDALKNCYFKFJK-OLZOCXBDSA-N	239.428	4.758	0	10	BJAE	
CC(C)C[C@H](N[C@H](C)CC(C)C)c1ccccc1	37118107	KWJNPLZTWKLZJJ-WBVHZDCISA-N	247.426	4.798	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)C1CCCCC1	37210794	NKQFADVGYOVYDR-NSHDSACASA-N	237.774	4.721	0	10	BJAE	
Brc1cc(C2CCCCC2)cs1	44121012	HGCMMPHWKRUNNU-UHFFFAOYSA-N	245.185	4.558	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1csc2ccccc12	54402717	ZMWRSQOGPNDXLW-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CCCCCCC(=O)c1ccc(Cl)cc1F	62785296	MQIARNIIHLKPJY-UHFFFAOYSA-N	242.721	4.632	0	10	BJAE	
CCCC[C@@](CC)(CCC)CNC(C)(C)C	71127986	ZUSROHWPKAPIQK-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1c(C)cc(C)cc1C	71161085	WOVKHGRBFQJAGI-HOTGVXAUSA-N	245.410	4.993	0	10	BJAE	
CC(C)C[C@@H](NC[C@@H](C)C(C)C)c1ccccc1	81045143	IONWTGWXRWQGAY-NVXWUHKLSA-N	247.426	4.656	0	10	BJAE	
CC[C@H](Nc1ccc(Cl)cc1Cl)C1CC1	83054087	HOOQTGRMMMMTLS-NSHDSACASA-N	244.165	4.594	0	10	BJAE	
CCCC[C@H](CC)CC1(O)C[C@@H](C)C[C@@H](C)C1	84472903	HIHWMLJDKRMNPV-QGPPMGRFSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@](CC)(CO)CCCC	85038313	FTDXQCWLQKFNLZ-CQSZACIVSA-N	214.393	4.536	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc1C	85084996	JGHVZEBTJQPLDT-DIOULYMOSA-N	231.383	4.540	0	10	BJAE	
Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C	85880350	PGTJIOWQJWHTJJ-STQMWFEESA-N	202.341	4.632	0	10	BJAE	biogenic,in-man
CCc1cccc(N[C@@H]2CCC[C@H](C)CC2)c1	86879198	FAWDPGGICNYQDJ-DZGCQCFKSA-N	231.383	4.630	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)c1cscc1C	87288875	GQDAZBYTWJNUPD-RISCZKNCSA-N	239.428	4.533	0	10	BJAE	
CCC1CCC([C@H]2C[C@@H](CC)CCC2=O)CC1	93122799	WKPKQZPITYGJNP-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C/C=C/CCNCC(C)C	93674228	QAYNSBHOUXSFFE-FDMDGMSGSA-N	239.447	4.785	0	10	BJAE	
CCCCCC[C@@H](NCCC)c1ccc(C)o1	97468733	QZPCJXBQRPXUSO-CQSZACIVSA-N	237.387	4.599	0	10	BJAE	
CC[C@H](NC1[C@@H](C)CCC[C@H]1C)c1ccccc1	109947241	MQNQDQJQTMGBLP-IINVVDAPSA-N	245.410	4.552	0	10	BJAE	
CCCOc1ccc(NC2CCCCCC2)cc1	109949513	OUGRSMBGAXRMOY-UHFFFAOYSA-N	247.382	4.610	0	10	BJAE	
CCCC[C@@H](NCC)c1ccc(CC)c(CC)c1	128006625	OPKLTGRGSXFXOY-QGZVFWFLSA-N	247.426	4.652	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@H](N)c1ccccc1	128327782	DVEHPLZSHMDCRF-ZOBUZTSGSA-N	247.426	4.929	0	10	BJAE	
CCCCCCn1ccc2c(C)cccc21	128806199	DCTXZOJLUAXPML-UHFFFAOYSA-N	215.340	4.530	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCCC(C)C	130412357	MMAZPZZXNJNSOE-UHFFFAOYSA-N	220.356	4.543	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1ccc(CC)s1	132972108	VUBLGTAMBQFNBD-CQSZACIVSA-N	240.412	4.560	0	10	BJAE	
CCCCCC[C@@H](O)CCCCCC(C)C	144201003	KLGLCFLDPMOWKI-OAHLLOKOSA-N	228.420	4.924	0	10	BJAE	
C[C@H]1CCC[C@H](N[C@H](C)C2CCCCCC2)C1	149983946	AQIRXCMTEGZJAG-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)c2ccccc2)CC1	159806504	DTYJUUNDKXAHJX-BFYDXBDKSA-N	245.410	4.696	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H]1CCC[C@H](C)C1	161327801	DOSUIGZIMIWXCI-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1C(=O)[C@H]2CCCCCCCCCC[C@@H]21	162331420	CTIBTCIYJOHPPQ-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)c1cccc(C)c1C	166917139	RMOYEUIGHWKABL-USXIJHARSA-N	245.410	4.520	0	10	BJAE	
CCc1cccc(N[C@H]2CCCC[C@@H]2C(C)C)c1	214447169	UHVQZHPTSCJCDW-SJORKVTESA-N	245.410	4.876	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCCC[C@@H]2C(C)C)c1	214630282	JULOSVAOQPJLGH-HZPDHXFCSA-N	249.373	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@]1(N)CCCC(C)(C)C1	226900475	IOOGBMOVHOVEGH-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](CCCC(C)C)NC	229173999	MQJJHBPTOANWGZ-DLBZAZTESA-N	247.426	4.595	0	10	BJAE	
CCCc1ccc([C@@H](C)NCC(C)(C)CC)cc1	233361781	DUKIDGLHJJWYMW-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
C[C@@H]1CC[C@H](c2c[nH]c3c(Cl)cccc23)C1	235377775	ILWDGWITVWIDGB-ZJUUUORDSA-N	233.742	4.725	0	10	BJAE	
CC[C@H]1CCC[C@H](n2ccc3ccc(F)cc32)C1	301863410	AALRGMGWBSSPHC-WFASDCNBSA-N	245.341	4.922	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2CCC1CCCCC1	302300447	ZNCIQBPUWANBFK-OAHLLOKOSA-N	243.394	4.946	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc2ccccc2c1	302313070	GDLCWPXSDLXYES-ZDUSSCGKSA-N	240.346	4.849	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)C[C@H](C)C(C)(C)C	305997732	UOUCRHFGNGAHIG-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](CNCC(C)C)C[C@@H](C)CC(C)C	306017190	XREVUYURKKNRGM-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CCc1cc(SC)c2scc(Cl)c2c1	307428141	RYQKULJGNUVSRQ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCCCC[C@H](O)[C@@H](CCC)CC(C)C	308037895	WODBXWZKOMWKRC-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
C[C@H]1C[C@H](n2ccc3ccccc32)CC[C@H]1C	309942229	OAEYEQUKONKEOP-VNHYZAJKSA-N	227.351	4.639	0	10	BJAE	
CCCC(=O)CCC[C@@H](C)C1CCCCC1	310359205	SWWTWIQKIYOTTG-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)C(C)(C)C(C)(C)C	310374881	ZFZVZHMUKSYNSO-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CNC[C@@H](CCCCC(C)(C)C)c1ccccc1	310581325	VEEHYODGUONRKS-MRXNPFEDSA-N	247.426	4.596	0	10	BJAE	
CCCNCC/C=C(/C)c1ccccc1C(C)C	310891527	YMSHDIDZRAOKIO-DHDCSXOGSA-N	245.410	4.603	0	10	BJAE	
CC[C@H](C)[C@]1(CNC(C)C)CCC[C@@H](CC)C1	317769778	SVLBFCIGCQSYNP-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NCC1CCCCCCC1)C1CC1	324577883	WRBSTTLRAHZFJC-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](O)CCCC(C)(C)C	380118499	MEPUTJQNEVYKIL-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H]([C@@H]2C=CCCCCC2)C1	380738283	KEUDYEAISOGOLA-OAGGEKHMSA-N	248.410	4.764	0	10	BJAE	
CCc1ccc(N[C@@H]2CC3CCC2CC3)cc1C	381954417	DJCOCUQVRUVKQX-PUJMQQBBSA-N	243.394	4.548	0	10	BJAE	
Clc1ccc2c(c1)N[C@@H](c1cccs1)CC2	382769215	FSIDASPCZWETSH-LLVKDONJSA-N	249.766	4.501	0	10	BJAE	
Clc1cccc(N[C@@H]2CCCC23CCCC3)c1	383046943	JECRSYNVENAENL-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
C[C@H](CCC(C)(C)C)Nc1c(F)cccc1F	383166360	MTWOSUNFSIXXRO-SNVBAGLBSA-N	241.325	4.592	0	10	BJAE	
CC1(C)CCC(CCC[C@@H](O)C(C)(C)C)CC1	383564665	IVMZIFXDAABADR-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CC1CCCCC1)CC1(C)CCCC1	383830375	XQTMJUGFNBLAGB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1cccc2ccsc12	386194971	CSUJGXSANYUNQC-WCQYABFASA-N	245.391	4.892	0	10	BJAE	
CC(C)C1CC(Nc2cccc3ccsc23)C1	386206855	GKMLGQYZBBPLQF-UHFFFAOYSA-N	245.391	4.748	0	10	BJAE	
CCCN[C@H](CCC(C)C)C(C)(C)C(C)(C)C	393890275	ZWTAGZGSGNWSSQ-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CC1(/C=C(/CN)C2CCCCC2)CCCCCC1	394668660	KRJRQMJYGCGYTE-SSZFMOIBSA-N	249.442	4.812	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CC1CCCC1	395405941	ZBCHITBHHVOXJL-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCc1c(C(F)F)ccc2scc(C)c12	396241718	LXPINSZDQSGWKP-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C1CCC1)CC(C)(C)C	398611949	APHGGDZCFRSLKN-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
c1cc2c(cc1NCCCC1CC1)CCCCC2	404637921	KHAKDIMUMAJPIE-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC[C@@H](CC(=O)CC1CCCCC1)CC(F)F	688810903	XZQYLESKCUKLPJ-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC[C@](C)(Nc1ccc2ccccc2c1)C1CC1	691557650	CMOYZUWEGHURNP-KRWDZBQOSA-N	239.362	4.830	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cccc(C(C)(C)C)c1	691700332	PWMSNZAGTJHQNN-MRXNPFEDSA-N	248.410	4.844	0	10	BJAE	
CC(C)NC[C@H]1CCCCC[C@H]1CC1CC=CC1	692059119	LQHDUZISSMPTFV-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NC1CCC2(CC1)CC2	695761663	SAMBAOIYTKRILU-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc(C)c(Cl)c1	697256329	AYWHSYIRMKCSQU-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC[C@]1(C)O	699694543	ARLMDTZURFHMAX-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCCc1ccc([C@@H](N)[C@@H](C)CC(C)C)cc1	704757402	WWSXLZYYPDELSS-YOEHRIQHSA-N	247.426	4.711	0	10	BJAE	
CCCC(N)(CCC)c1cccc2ccsc12	704930004	ADKAVDCERBDCEQ-UHFFFAOYSA-N	247.407	4.656	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC[C@H](C)C1)C1CCC1	705364750	QLFRMYJDMFAQPX-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](Nc1csc(C)c1)c1ccccc1F	710727124	CLBLIEXSYBOCFR-AWEZNQCLSA-N	249.354	4.759	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C(C)C)C(C)(C)C	713138509	CUYKSUGOMVFIGU-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)c1ccc(OCC(C)(C)C)cc1	713239521	JVTHZIHFPGQXOS-LBPRGKRZSA-N	220.356	4.625	0	10	BJAE	
CC/C=C/[C@@H](C)Cc1cc(C)c(C)cc1F	714549962	NVOFWIKSMOPYDM-XUIVZRPNSA-N	220.331	4.587	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)c1cc(C)co1	716222819	GRWQMFSPOYAOGP-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)CC1=O)c1ccccc1	717439366	PGOGESRXPGIKLM-HIFRSBDPSA-N	244.378	4.576	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)CC(C)C	718590429	SXSNJRSCFXGDDB-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@]1(CNC(C)(C)C)CCC=CCCC1	719054211	AKEAOVQNNJXFDH-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cscc1C(F)F	720225453	SZCMPRVEYPIBDN-SNVBAGLBSA-N	247.354	4.512	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1cccc(C(C)(C)C)c1	723119272	KYBQQFDIQWGOMJ-GXTWGEPZSA-N	244.378	4.603	0	10	BJAE	
CC(C)=C(C)CCCC1C[C@H](C)O[C@@H](C)C1	724862416	HLKOFVIRBYZLFS-KBPBESRZSA-N	224.388	4.717	0	10	BJAE	
C[C@@H]1CCC[C@H](CSc2cccs2)C1	1165536588	AASUXMNTGBRKDK-MNOVXSKESA-N	226.410	4.667	0	10	BJAE	
CC(C)CSC[C@H](C)C1CCCCC1	1652400535	GAZUVCLMJUGKDE-LBPRGKRZSA-N	214.418	4.592	0	10	BJAE	
CCCCCCP(=O)(CCC)CCC	1889460545	NCGXRMFBHLSKIV-UHFFFAOYSA-N	218.321	4.750	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1scc(C)c1C	1905380073	CREAXEINSGUPKH-STQMWFEESA-N	240.412	4.615	0	10	BJAE	
CC(C)c1ccc(OCCC[C@@H]2C[C@@H]2C)cc1	1908592058	PPBMPBPRWAMINJ-DZGCQCFKSA-N	232.367	4.625	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@H](C)C(C)(C)C	1919948617	OYICAEWJCHGREC-KCQAQPDRSA-N	228.420	4.636	0	10	BJAE	
C[C@H](CN[C@@H]1CCCC12CCC2)C1CCCCC1	1921499735	RYYXWRFUBRVWNK-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC[C@@H]2CC2(C)C)CC1	1921541910	UOSOUCIHCJORMB-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H](C)C1CCCCC1	1924137279	YVZYNEKXGZIUDC-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C=CCCCC1)C(C)C	1925888436	GNNDAKGTPPIMHW-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)C[C@H]1C=CCCCC1	1925924088	HQLLYCFTIMCLLT-KBPBESRZSA-N	238.415	4.556	0	10	BJAE	
C[C@H](C[C@H](O)C[C@H]1C=CCCCC1)C(C)(C)C	1925926563	SGHQFKQCAQRSML-ILXRZTDVSA-N	238.415	4.556	0	10	BJAE	
Cc1ccc(NCCCC2(C)CC2)c(Cl)c1	1935928302	FVVJJDOVNQOWLX-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCCC[C@H](CCCC=C(C)C)NCCC	1939109576	AUXBIDOTEAVNGI-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CC[C@@H]2C[C@@H]2C1	1940591812	SVNUQACQDFLZLX-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(OCCC[C@@H]2CC2(C)C)cc1C	1940871304	BKDAGOBZFVCEGV-CQSZACIVSA-N	232.367	4.509	0	10	BJAE	
CCCCCC[C@H](CCC[C@H]1CC1(C)C)NC	1940877655	QUTPJLWCROZJGK-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCC[C@H]2CC2(C)C)C1	1940880156	GMWDNNDXQROXPI-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC1(CCCNCCCC2CCCCC2)CC1	1940883333	UUIMALQCYBPKTH-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@@H](CCC)C(C)C	1941263013	LOSWRRNPPKMOJY-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)[C@@H](C)CCC(C)C	1942655622	JOBRSCRCCNWPEV-XUWVNRHRSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)c1ccc2sccc2c1	1945754027	XMQBZSPMCNZKOE-GFCCVEGCSA-N	244.359	4.520	0	10	BJAE	
CCCC1([C@H](O)c2cccc3sccc23)CC1	1945957946	INCBCBXLOZOOJR-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC(C)(C)CC[C@@]1(O)C[C@@H]2CCCCC[C@@H]2C1	1947841880	DUDZTXQIVAHEIS-FOLVSLTJSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948585589	JMOSHOLLZUEWGQ-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC1(CC)CCC1	1948981506	UGVOHJZEFSIGKY-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CCC1=CCCCC1	1949041864	UFUUQHIIUXJCIX-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CCC[C@](N)(CCCC2(C)CC2)CC1	1949055433	RESZQBVONNPUFK-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCC[C@H](N)CC1C[C@@H](C)C[C@H](C)C1	1949064080	RGVNHXSQJCHLNP-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
O[C@@H](CC1=CCCCCCC1)CC1CCCC1	1949871717	ZCTXJERJMZMWPC-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(CNc2cccc3ccsc23)C1	1950520652	KBPGWOYTQIOAQP-UHFFFAOYSA-N	245.391	4.749	0	10	BJAE	
CC(C)C[C@H](C)CC1(CO)CCC(C)(C)CC1	1950917323	NGAPYCSLZYEPBU-AWEZNQCLSA-N	240.431	4.638	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@H]1CCC[C@H](C)CC1	1950923148	DYZXXCQXQMAUCG-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCN(C)Cc1ccccc1C(C)C	1962922356	PBMQXPGXFSUGFZ-UHFFFAOYSA-N	247.426	4.678	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1NC[C@]1(C)C=CCCC1	1967836863	JWWQWERBCUVXQB-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@@H]1CC[C@H](F)C1	1968320814	RKIBOFUMAWGBAZ-OLZOCXBDSA-N	249.373	4.534	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1N[C@@H]1CCCC2(CCC2)C1	1970484926	AIMSYNBDAOKPON-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCCC12CC2)[C@H]1CC1(C)C	1972744161	MFIHONGOAGFQSP-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC(C)c1nc([C@H]2CCCC(C)(C)C2)cs1	1980287206	SVASPNHDEFINHZ-NSHDSACASA-N	237.412	4.950	0	10	BJAE	
CCCCCC[C@H]1CCCCCCCC1=O	1980319340	PCOZEDGSDUHMQJ-AWEZNQCLSA-N	224.388	4.886	0	10	BJAE	
CCCCC[C@@](O)(CC)[C@@H]1CCC(C)(C)C1	1990092068	UXJPLAHOBOHTSD-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCCCN(C(C)C)[C@@H](C)CCC(C)C	1990894299	WHNBDGVRKDBXHH-HNNXBMFYSA-N	227.436	4.712	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCC(C)(C)C	1995213420	BZTGFFHKYOKAJN-CYBMUJFWSA-N	226.404	4.988	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@@H](C)C(C)C	1995262753	PGUGPKFYELLGMF-RRFJBIMHSA-N	227.436	4.602	0	10	BJAE	
CCC/C=C/CNc1ccc(C(C)(C)C)cc1	1995867574	QKNCSDSTTVKBSO-BQYQJAHWSA-N	231.383	4.752	0	10	BJAE	
CC(C)C[C@@H](C)n1ccnc1C1CCCCC1	1995884108	FDTFKQLNXUTAOC-CYBMUJFWSA-N	234.387	4.538	0	10	BJAE	
CC1(CCC(=O)CC2CC(C(C)(C)C)C2)CC1	1998235000	PRTPDGRZPYVWSQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)C1CC(C)(C)C1	1998648124	BMBWZSKTOTVOAP-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
Cc1cc([C@@H](N)C[C@H]2CCC=CCCC2)cs1	1999979016	LFSGZSQZHLWAMZ-ZFWWWQNUSA-N	249.423	4.583	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCC=CCCC2)s1	1999979624	SODYWAZKXSTQRC-CYBMUJFWSA-N	248.391	4.766	0	10	BJAE	
CC[C@](C)(CNC(C)C)[C@@H]1CCCC(C)(C)C1	2000164636	YWEBKWGXFHVLPI-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CCC1CCCC1)CNCC	2000505995	XBHMBVAFCROLHX-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC[C@](O)(CC=C(C)C)C1CCC(C)(C)CC1	2004225947	GFLIJFCOVRLMBQ-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCC1(C)CCC(O)(CC[C@@H]2CC2(C)C)CC1	2004350293	BMMJPRCBXPEPAQ-IUDNXUCKSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](C[C@H](C)C2CCCCC2)C1	2006660501	HHJLNMGXORLEBY-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC(CC)CC)CC[C@H]1C	2006957464	MWWNGMXDAMEUNZ-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)CCCC1CCC1	2007622523	MMJZRFCWSOAJTP-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCC1(CNC)CCCCCCC1	2009617800	WKQPDPJIAOEJNU-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C(CCC)CCC	2009618277	AKQXDBKUTWHIHN-RDTXFTJFSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1N	2009619416	LDZFSDLVJMXEIV-GADLPXAVSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@H]1NC[C@H](C)[C@H]1C(CC)(CC)CC	2009770540	QJWHCBXVHLETSQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@]1(CC2(C(C)C)CCC2)CCCN1	2009774568	ZDQPAURDBKHLOF-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@H](N)c2ccsc2)CC1	2010730421	YLHWSSOOWHWPLG-UONOGXRCSA-N	249.423	4.521	0	10	BJAE	
Cc1cccc(Cl)c1NCC1CC(=C2CC2)C1	2011083432	OTJZOYGPLIAFOK-UHFFFAOYSA-N	247.769	4.561	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](CC)CCC(C)C)C1	2013265351	WBTJGSKWCNQXMN-OAGGEKHMSA-N	239.447	4.760	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC12CCC(CC1)C2	2013274233	NRRAVVHFARZGFS-GPANFISMSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)NC1[C@@H](C)CCC[C@@H]1C	2013322858	RDDVEHSCMWYOCW-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CNC[C@]1(CCCCCC(C)C)CCC1(C)C	2014857251	ANMNZAJTPHKAEY-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(CCC(=O)[C@@H](C)C(C)(C)C)C(C)C	2015392693	SQALQMRIOSRPHN-CYBMUJFWSA-N	240.431	4.946	0	10	BJAE	
CC(C)[C@@H](C)CC1(N)CC2(CCCCCC2)C1	2015403595	ZMSJXGXKWVWBDD-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@](C)(O)CCC(C)(C)C)CCC1	2015640468	SFGQFBQWNLJEHE-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCCC1(C[C@H](NCC)C(C)(C)CC)CCC1	2015648510	QGXDQMQNVVLMKJ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)[C@@H](C)CC(C)C	2016144519	KBFBMXPEHYKANU-JYJNAYRXSA-N	239.447	4.782	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@@]1(C)C[C@H]1C	2016465282	FDKOWAZFBLCYLP-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1(CC(=O)CC2CCCC2)CCC1	2017128919	ISPOEHUQLPKLHI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCNC[C@@]1(CC(C)=C(C)C)CCC[C@H]1C	2017464984	CSTHXJBGSWWJBC-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCNC[C@]1(CC(C)=C(C)C)CCC[C@H]1C	2017464991	CSTHXJBGSWWJBC-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)[C@H]1CCCC(C)(C)CC1	2017473570	VFVURZFPEORCRB-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CC2(N)CCCCCCC2)CC1	2017721790	LNMRJMIVANJOAP-SHTZXODSSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@@H]2CCCC[C@H]21	2018128953	GWYKPZNUVDSKLN-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCC1(C[C@@]2(O)CCCC[C@@H]2C(C)(C)C)CC1	2018968470	UYAUUHTWCHFWSK-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CN(C)[C@@H]1C[C@@H](C)CC(C)(C)C1	2019292460	YAGOKLBMRLZQPP-RRFJBIMHSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@H]1[C@@H](CC=C(C)C)CCCC1(C)C	2020365791	YQFUCIYICLBTGT-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCN(C(CC)CC)C1CCCCCC1	2020506151	MQQAYTCSRONFFY-UHFFFAOYSA-N	239.447	5.000	0	10	BJAE	
CC=C(CC)[C@@H](NC)[C@H]1CCCC(C)(C)CC1	2020967516	IJKWSWWDFIPETE-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H](CC)CCCC	2020972940	YFGUMAOMJIATOR-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@@H]1CC(CC)CC	2023612083	MDJQTQWRBXOGKI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@@H](C)[C@H]1NCCC	2023998889	FIRGFEKFEVNGAR-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@]2(C)C=CCC2)C1	2024091186	GCHZLSDXOPPIPL-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1ccc(F)cc1	2026083117	XWJBBMQSYKOBSH-LBPRGKRZSA-N	236.330	4.615	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCC)C1CC(C)C1	2026164371	SECRKYIQLHVWRM-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
c1sc([C@@H]2CCCC3(CC3)C2)nc1C1CCC1	2026544107	IPLAAVORFKQIDE-GFCCVEGCSA-N	247.407	4.848	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)[C@H](CC(C)C)C(C)C)c1	2028256237	XKEUITOFXJGKBV-IAGOWNOFSA-N	247.426	4.622	0	10	BJAE	
CC[C@H](C(=O)c1cc2cc(C)ccc2o1)C(C)C	2028256614	BAYBCNVQMAEKQW-ZDUSSCGKSA-N	244.334	4.606	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)c1cocc1C	2028629584	BFRAUFUSWHXHCE-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@]2(N)CC(C)(C)CC3(CC3)C2)C1	2030280573	YIWUPYDCGOEGJO-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2ccc(C3CCCC3)cc2)N1	2031750365	RLRMHKXLWVVDDE-DYVFJYSZSA-N	243.394	4.547	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CC(C3CCCC3)C2)C1	2033766888	JQSSFKWVQARLIU-PXZKZTPFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1CCCC2(CCCC2)C1	2034369918	BDGINMAEZCPFJP-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CN[C@H](CC1CCCCCC1)CC1CC2(CC2)C1	2036755402	LVXTVCKSYRQIGP-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@](N)([C@H]2CCC3(CCCC3)C2)CC[C@H]1C	2037591987	LDCXTVDCKUXQQP-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1C[C@H](C[C@@H]2C=CCCCC2)CCC1(C)C	2037856001	DNKYZLGFYHEFEI-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@H](CC1CC(C)(C)C1)NCCC	2037971773	FOTVSHXBHLPCLZ-MRXNPFEDSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H](C)C23CCC(CC2)C3)CC1	2039864909	KRQLOAGOWWVIAX-HLUWQOEYSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@@]1(C)CC=CCC1	2042067821	PGVHHMZLMFLNKT-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)c1ccccc1C1CC1	2042275849	VYHGVCBNSLTOFP-OCCSQVGLSA-N	242.362	4.573	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H](C)C1CCCCC1	2043193739	ZGGTXGUNSDRMPT-GJZGRUSLSA-N	249.442	4.824	0	10	BJAE	
CCC[C@H]1CCCCN1C[C@H]1CCC=CCCC1	2045313690	BKLAZRUTEOQQEF-IRXDYDNUSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CCC[C@@H](n2ccnc2C2CCCC2)C1	2045448542	BXEKOZMYJGYRCT-CQSZACIVSA-N	246.398	4.682	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@H](c1ccccc1)C(C)C	2045673260	DWTPRLFMUKQUTJ-HOCLYGCPSA-N	246.394	4.678	0	10	BJAE	
CCCC[C@@](C)(CC=Cc1ccccc1)CNC	2045976821	UKISUGPPUROXKB-KRWDZBQOSA-N	245.410	4.506	0	10	BJAE	
CCC(CC)(CCC1=CCCCC1)CNC1CC1	2045987323	AKFHNCLMOAUOOJ-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](CCC1(C)CCC1)c1ccccc1	2046914481	XPWWGMKXWANLSY-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
N[C@]1(CC2CCCC2)CCCCC12CCCCC2	2047563255	YCVGKVFAGVKLNG-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC(C)(C)C1CC(C(=O)[C@H]2CC23CCCCC3)C1	2048622892	CAIYVOXKQQXYPE-JXQTWKCFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@](N)([C@@H]2[C@H]3CCCCC[C@H]32)CC1	2049211832	NLMFNKXNYVHHFT-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(O)cc1NC1CCCCCCCC1	2049679078	RSFABVJREZHWMX-UHFFFAOYSA-N	247.382	4.616	0	10	BJAE	
CC1(C)CC([C@](C)(N)CC2CCC3(CC2)CC3)C1	2049859082	SJKWFBITTRYIGU-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@H]2CCC3(CC3)C2)CC1	2049864032	IJMXWFZHFOSTTB-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CCCC2(CC2)C1)C1CCC1	2049933678	QOYIDEHZDOWIDO-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(NC[C@]2(C)C=CCC2)CC(C)(C)C1	2049979993	UUAJPZZHJUIGHR-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@H]1C)[C@]1(C)C=CCCC1	2049996810	JJEWYQHGYDAAMO-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCC1CCCC1)c1ccc(C)cc1	2050430602	MYZHPBTWNJMIFT-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CC1=C(C)[C@](N)([C@@H]2CCC3(CCCC3)C2)CCC1	2055594317	CYUSUCYBCRGRLL-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1CCC12CCC2	2059221431	MZUHFQXUDMSZBU-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCC3(CCC3)C2)C1	2059393381	FMVUMETVORURGE-HWOWSKLDSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CC=C([C@@]2(O)CCCC3(CCC3)C2)CC1	2061085630	SGKGGDSYYAZGEX-WMLDXEAASA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1[C@H](N)CC1=CCC(C)(C)CC1	2061143095	HZYSSSYJUANDPE-MRXNPFEDSA-N	243.394	4.521	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CC[C@@]12CCC[C@@H]1C2	2061611779	ITMTWSJZKVTYOM-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@](C)(N)CC[C@@]23CCC[C@H]2C3)CC1	2061615830	HTRZVVOFVYKXPX-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CC[C@](O)(CC1CC(=C2CC2)C1)C1CCCCC1	2061683253	VORBYKAHEBKGOA-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2CC(=C3CCC3)C2)C1	2061730452	IHZZRJVVXIUGDM-OLZOCXBDSA-N	246.394	4.662	0	10	BJAE	
CCCC[C@H](CCC1CC(=C2CCC2)C1)NCC	2061739783	QVIWLBKRKYDCOO-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063481855	XOYXPNQXWOHZTG-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC12CCC(CC1)CC2)C1CCCC1	2065306995	BNFAPTWJQHYXOO-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CCCC2)C1)[C@@H]1CCC1(C)C	2068347520	BZXDFOXPRZQDIA-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@]23CCC[C@@H]2C3)cc1	2070917071	IBZJCHHCDUXYKO-YSVLISHTSA-N	244.378	4.769	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@@]23CCC[C@@H]2C3)CC1	2072794015	PNTMAHJZZVBKDA-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CNC[C@@]2(C)C=CCC2)CC1	2072801869	RQPCQTCVVXWYAF-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H]1CCNC2(CCCC2)C1	2074140730	DTOOWBVZIAKBRH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CCC(n2cc(C3CC3)cn2)CC1	2075230055	VBIRKJKRWMSJAZ-UHFFFAOYSA-N	246.398	4.538	0	10	BJAE	
C1=C[C@H](N2CCCC23CCCCCC3)CCCC1	2075402142	UJRDTLLHFHRRTO-INIZCTEOSA-N	247.426	4.674	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2	2076595422	ZDZURBDIXBEXEE-YQQAZPJKSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1C[C@@H](C[C@H]2C[C@](C)(F)C2)c2ccccc2N1	2077717545	RFSZHQITFYMZTM-QCQGSNGOSA-N	247.357	4.503	0	10	BJAE	
CC1(C)C[C@@](C)(CC[C@H]2CC23CCCCC3)CN1	2078867760	RDSWSAZQLDALGK-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	2079331148	BZCRECIKEVVKOE-UAOKOLBASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1C[C@H]1C1CCCC1	2079433858	CHOVIWMXIYJCSE-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CN[C@H]2C[C@H]2C2CCCCCC2)CC1	2079533709	ZQWYFEWQQDVYAJ-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@@H]2C[C@H]2C2CCCC2)cc1C	2079642246	SMKJMLULJIMHDI-RDJZCZTQSA-N	243.394	4.542	0	10	BJAE	
Cc1cn(C[C@H]2C[C@@H]2C2CCCCCC2)cc1C	2079815823	UWARADNWIBKJCC-IAGOWNOFSA-N	245.410	4.711	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1=CC[C@H](CC)CC1	2081777207	BWQBLYNYWSQSEQ-DOTOQJQBSA-N	249.442	4.847	0	10	BJAE	
CN[C@H](C[C@H]1CCCC(C)(C)C1)[C@@H]1CC=CCC1	2082979258	MOHPZHIRINWKPZ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC[C@H](C(C)C)C1	2085239903	KRRNMYGSIBKBQY-HOTGVXAUSA-N	245.410	4.876	0	10	BJAE	
CCCCC[C@@H](N)CC1C[C@H]2CCC[C@H](C1)C2	2213291412	CCVNKOCBQIJWNW-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
Nc1ccc(C=CCCCCCC2CC2)cc1	2213579432	SRAHOZXYZHLCKG-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CC1CC(C)C1	2214987792	FQVQHECNMBUSSH-UHFFFAOYSA-N	247.769	4.649	0	10	BJAE	
CC[C@H]1C[C@@H]1CCn1ccc2cc(Cl)ccc21	2215347465	XNZHPSLVSJNPSG-RYUDHWBXSA-N	247.769	4.731	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1(C)CC(C)(C)C1	2215389443	WOYWDWRCZLBCQD-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C[C@@]1(C)C[C@@H]1C)C(C)(C)CCC	2216277025	FGORFVBASOQYHN-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)NCCCCCCCC1CC1	2216884383	VCPZAIFVOGNPRN-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)CCC[C@@H](CNC1CCC1)CC(C)C	2217126156	STJVGWRZQZCDGH-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NCC1([C@@H](C)CC(C)C)CCCC1	2217133946	FYPHTGHSKREYSW-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1(CN[C@H](C)CC)CCCCC1	2217153495	MKAIVPDSVUGFQK-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CCCC(C)(C)C)C[C@H]1C	2217155098	ZOCKPPGVFWXAPV-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C1(CC2CC2)CCC1	2220024389	FMAOUBKHLTYODD-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCC1(Cn2ccc3cccc(F)c32)CCC1	2220313057	UWGPRIFRNAQEBH-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC[C@@H]2CC=C(C)CC2)C1	2221665115	DTRQDIAVQKMLFU-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1)C(C)(C)CCC	2222299827	FQSBENAIEIARRO-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
C1CCC(CC[C@@H](CNC2CCC2)C2CC2)CC1	2223538659	DMGUYSVUISRLQC-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)c1cccc2ccoc12	2224180830	CQKFOEBOMTVPQJ-WFASDCNBSA-N	245.366	4.505	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@H](CC)CCC	2244785577	QTOZYIXDBWUGQK-RRFJBIMHSA-N	228.420	4.780	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H](O)CCC1CCCCC1	2247305866	FBMGDGFTAAGBIT-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C[C@H](O)CC1=CCCCC1)C(C)(C)C	2247509406	GTVFRMMNZKTWMH-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](CC)CNC1CCC(C(C)C)CC1	2250386371	KUXFYSVTNOIDRF-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC[C@H]1CCC[C@H](C)C1	2250389712	LQUSECMYQPHIRN-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)c1ccco1	2250467753	VOYGPAKWSWQORY-ZDUSSCGKSA-N	236.355	4.705	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(N)CCC[C@@H]1C	2250475732	LRNJBIGKDKCXCX-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H]1CCC[C@@H]1CC[C@H](C)CCCC(C)C	2250479826	YYNJTSNULSDORQ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H]1[C@H](NC)C(C)(C)CCC1(C)C	2251711757	KCDFXPDUEORZGI-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCC1CC1)C[C@@H]1CCCCC12CC2	2253821099	QUWMVLNPBZPRTD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(NC[C@@H]2CCC23CCC3)cc1C	2254967863	HJOWSWMZHOZVGA-HNNXBMFYSA-N	243.394	4.550	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)[C@@H]1CCCCC12CCC2	2255030033	WNTNVDQCSGHSAS-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@H](C)[C@H]1CC1=CCCCC1	2255091344	JENWUBGIIPXQBE-YALNPMBYSA-N	249.442	4.537	0	10	BJAE	
CN(CC1=CCCCC1)[C@@H]1CCCCC12CCC2	2255206957	FAEWVNLCMUYRGO-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H]2CCC[C@@H]2C)cc1	2256252709	LRCZXBANNFJBNF-BBRMVZONSA-N	244.378	4.648	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNC1CC2(CCCC2)C1	2257311739	NTFVKIZXZKBZLM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1C[C@@H]2CCC[C@H](C1)N2	2257337339	FEQKQNJBTMZRGG-YDZMOUMUSA-N	249.442	4.514	0	10	BJAE	
CCCCc1ccc([C@H](N)[C@@H](CC)CCC)cc1	2259479018	VVGRUGLICQBLOM-DOTOQJQBSA-N	247.426	4.855	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1C[C@H](N)C12CCC2	2259678667	NOPQJGUMCDIHOS-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@]23CCC[C@H]2CC3)CCC1	2260512848	QHRCRKNOZPZEPC-SUMWQHHRSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(=O)C[C@]23CCCC[C@@H]2CC3)cc1	2260567757	RAEAFUHOSCGTFS-NVXWUHKLSA-N	242.362	4.538	0	10	BJAE	
CCC1(CNC[C@]23CCCC[C@H]2CC3)CCCC1	2260581722	FGIQVHHJEQTZGO-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
FCc1ccc(NC[C@@]23CCCC[C@@H]2CC3)cc1	2260582367	JKOIBSWISDWNII-ZBFHGGJFSA-N	247.357	4.538	0	10	BJAE	
C[C@@H](NC[C@@]12CCCC[C@@H]1CC2)C1CCCCC1	2260610107	BPRKYMPAGXBGHW-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](N[C@H]2C=CCCCC2)C1	2261399364	ALSNPFMAWFLBOP-GJZGRUSLSA-N	249.442	4.680	0	10	BJAE	
CCC(CC)CC[C@@H](O)CC1CCCCCC1	2300677696	CGJYYFWALFQSQW-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CCC(CC)CC)C1	2300688867	RHOCKDSFLPRMRI-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC1(CC)CC(O)(CC2CCCCCC2)C1	2301135015	FJOIMRGXHOMBFI-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@](C)(CNC1CC1)CC1CCCCCC1	2301189774	XKWAPFDKHRJUJC-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
NCC[C@@H]1CCC[C@@H](CC2CCCCCC2)C1	2301244231	KNAPPHLMHARGPN-HOTGVXAUSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@@H](C)[C@@H](C)C(C)C	2301841055	SEFCFEWIYFJLOX-HRCADAONSA-N	241.463	4.721	0	10	BJAE	
CCCCCCc1ccc([C@H]2CC2(F)F)cc1	2302229578	WSBOIVNVXLKBLS-CQSZACIVSA-N	238.321	4.932	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@@H]2CCC(C)(C)C2)C1	2302760672	KQRQWEVMDXOQOK-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1NCC1[C@H]2CCCCC[C@H]12	2302891726	FJFRLHXPFLMSDN-STQMWFEESA-N	249.423	4.549	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CCC(C)=C(C)C1)C(C)(C)C	2303520371	GRQMUMAZTOIQMX-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CN[C@@H](CCC(C)C)C[C@H]1CCC(C)=C(C)C1	2303577010	CIJBOTWBBZTXER-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(C[C@@]23CCCC[C@@H]2C3)C1	2311146842	XGANCKAABUBWJV-YVSFHVDLSA-N	249.442	4.502	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@@H]1C[C@H]1C1CCC1	2311478049	AEXCYUFWFVQTOP-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@@H]1C[C@H]1C1CCCCC1	2311537117	LIMAXZOOFSRQJE-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
C1CCCCC(NC[C@H]2C[C@@H]3CC[C@H]2C3)CCC1	2312926009	IUXCLWJHQMLREW-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@]1(C)NC(CC1CC1)CC1CC1	2313592826	FJZVKSPYKYDSOI-KRWDZBQOSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)[C@H](N)c1ccc(C)c(CC)c1	2314647038	AFQFNRSTBGOKJG-KRWDZBQOSA-N	247.426	4.774	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@@H]2CC[C@@H]21	2315891630	MLNFBKDSHNKYOC-CWRNSKLLSA-N	243.394	4.719	0	10	BJAE	
CCC(C)=CC[C@H](NC)C1CC2(C1)CC(C)(C)C2	2316508056	HZBSZJWILXWARH-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@]12CCCC[C@H]1C2	2317948615	PIHPLALESPWFHQ-DOTOQJQBSA-N	246.394	4.807	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)[C@@H]1CC1(C)C	2318587899	DFXPBMAWLHZPEW-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CC[C@H]1C1CC1	2319503181	WMHXKMYTCPALCR-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCCCC[C@@H]2C)CC1	2320337622	OGFFOIMACWKURC-BBWFWOEESA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCC(C)=C(C)C2)CC1	2320396131	CBKWDQDZSKBRNW-ULQDDVLXSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2ccc(C)cc2F)CC1	2320410509	FIOAXILPMCDUSL-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
C[C@H]1CC[C@H]1CC(=O)c1cccc(C2CCC2)c1	2320659008	VSYZIGFQKOZNLX-JSGCOSHPSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@@H](C)c1cccc(C2CC(C)(C)C2)c1	2321018113	DROPMVWOEINEKO-ZDUSSCGKSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H](CC)CN1CC[C@H](C)c2ccccc21	2328101522	JNXSBNNKQNZHCX-LSDHHAIUSA-N	245.410	4.827	0	10	BJAE	
CCC[C@@H](CC)Cn1c(C)cc2cc(F)ccc21	2328159093	HGFXRYJNGSTMCI-CYBMUJFWSA-N	247.357	4.915	0	10	BJAE	
CCC[C@H](CC)C[C@H](CNCC)c1ccccc1	2328198069	YXNOFUBOTLLDCG-DOTOQJQBSA-N	247.426	4.596	0	10	BJAE	
CCC[C@H](CC)CCC[C@H](NC)c1ccccc1	2328283339	WLJPKGXGGYEAEB-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cc(C)cc(C)c1C	2328290242	DBPWXKLPBGUITK-DOTOQJQBSA-N	247.426	4.828	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)CCC(C)C)c1	21800544	GSDXTKVOKDCSNT-CQSZACIVSA-N	219.372	4.540	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)CCC(C)C)s1	22149479	QYBQTGLJPDAJRU-AAEUAGOBSA-N	239.428	4.532	0	10	BJAE	
CCCCCCN[C@H](c1ccccc1)C(C)C	35046577	PJSAEADEZVDCCW-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
C[C@H](S[C@@H]1CCC[C@@H](C)C1)c1ccc(N)cc1	54689746	VAXYNJMBCHAZTD-TYNCELHUSA-N	249.423	4.642	0	10	BJAE	
CCC[C@H](C)CC(=O)C1(c2ccccc2)CCC1	62780540	KGQXJQNTSCXKAG-AWEZNQCLSA-N	244.378	4.504	0	10	BJAE	
CCc1ccc2nccc(Nc3ccccc3)c2c1	65005374	PPTAGFUQILTSBH-UHFFFAOYSA-N	248.329	4.541	0	10	BJAE	
CCCC[C@@H](CC)Nc1cccc(Cl)c1	68985455	MRFUUKYBEQBZGH-GFCCVEGCSA-N	225.763	4.721	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1cc(CC)ccc1CC	70440701	NOFWKZRRHAYWEJ-CXAGYDPISA-N	247.426	4.508	0	10	BJAE	
CCCCCC[C@@H](CCC)CNCC(C)C	71127051	DDCAYHXDMRGDOR-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCCCC[C@H](CNC(C)(C)C)C(C)C	71127172	LOKDMJQJJMYVAS-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H]1CCCC(C)(C)CC1	86894475	QXBUSRQWHWHTPR-HUUCEWRRSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)CC(=O)c1cccc2ccsc12	88038307	BSHMCADGUHXGIH-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1cc(F)ccc1F	107606809	NTJUWARPGGBNRM-ISALQUGTSA-N	224.294	4.815	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1O	110463812	HQGFRDWBCZPMLW-BBWFWOEESA-N	246.394	4.512	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@H](C)CC(C)(C)C	124237870	ZMOYUAGQWRIOFG-GXTWGEPZSA-N	228.420	4.636	0	10	BJAE	
CC1CCC([C@@H](O)C[C@H](C)CC(C)(C)C)CC1	124319399	GXQMPSDJZRIYMD-SHWKFHJASA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@@H](N)c1cc2ccccc2o1)C(C)(C)C	128166768	CFQODAJOQZHGBD-DGCLKSJQSA-N	245.366	4.505	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C[C@@H](C)C(C)(C)C	158728332	JGNMBTSGFLZPJQ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1CCCC1)NCC	162721013	XRENHUPNWRNQMM-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H](CC)c1ccccc1	165057630	SGFIGFSRLQLBEP-DZGCQCFKSA-N	232.367	4.576	0	10	BJAE	
CC(C)CCC[C@@]1(O)CC[C@@H](C)c2ccccc21	165657827	ZTFZPNBWVASPDD-RHSMWYFYSA-N	246.394	4.598	0	10	BJAE	
CC(C)c1c(C(C)(C)C)[nH]c2ccccc12	196825195	LLKKBQZHZCDKPB-UHFFFAOYSA-N	215.340	4.589	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CCC[C@@H](C)CC1	226494875	AKRCYKDCUMVPSF-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@H]2CCC[C@@H](C)C2)c1	227827147	SJSNWBPAYUBBRM-PVUWLOKVSA-N	245.410	4.533	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C[C@@H](C)CC(C)(C)C)c1	229472954	XVQRLWMRGPROQB-ZBFHGGJFSA-N	247.426	4.766	0	10	BJAE	
Cc1cc(N)ccc1-c1ccccc1C1CCC1	229616121	QALPMWLUZNGMDY-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCC12CCCCC2	230166692	DNPHIDJLQVLTFY-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
Cc1c(N)cccc1-c1ccc(C(C)(C)C)cc1	232215434	IOBXRLWNOMXCCS-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CCC(C)(C)CN[C@@H]1CC[C@@H](C)c2ccccc21	232984304	GWAIZOVHIFKAQT-CZUORRHYSA-N	245.410	4.651	0	10	BJAE	
CC(C)CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1N	251423743	QMKISAKBEAUDRT-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)c1ccc(C2(CC#N)CC2)cc1Cl	260788892	ZXJFWQVALBNUCF-NSHDSACASA-N	247.769	4.799	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCC12CCCCC2	299961045	ZVNZEULVGOFSEQ-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)c1cc(C)cc(C)c1	302412010	PYXCXHVCCXAAHO-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
Cc1ccc(N)c(S[C@@H]2/C=C/CCCCC2)c1	305916382	AXSZKBUWYSWSFB-VUDGCMKMSA-N	247.407	4.558	0	10	BJAE	
C[C@H]1CC[C@@H](N[C@H](C)CCC(C)(C)C)C[C@@H]1C	306045135	OAXFIKBKAWEDCF-BYNSBNAKSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)c1cccc(C(CC)CC)n1	309199080	WIXURANYGZZHGV-UHFFFAOYSA-N	219.372	4.889	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2CC[C@H](C)C2)n1	309236497	LQQOCWRXBRVZKT-WDEREUQCSA-N	237.412	4.734	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2(CC)CCC2)C1	310113578	GIGVIXYWRKQEBX-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CN[C@@H](CCC[C@@H](C)C1CCCCC1)C(C)C	310119665	AJEDVPIUUYZHBO-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CCCCC2(C)C)CCC1	310214277	FOEINOWSHJOOTJ-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CC2(C)CCCC2)C1	310390937	KYVLULBFRTYCBW-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc([C@H](O)CC2CCC(C)(C)CC2)c1	310737280	GXIDDKFJABDAMO-MRXNPFEDSA-N	246.394	4.635	0	10	BJAE	
C[C@@H]1CC[C@H]1Nc1ccc(-c2ccccc2)cc1	310849451	CTRREYMMXYHZKB-CXAGYDPISA-N	237.346	4.564	0	10	BJAE	
CCCNCC1([C@@H](C)CCC)CCCCCC1	317285294	DVSKJHOJZFTDLV-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CNCC1(CC2CCCC2)CCCCCCC1	317439618	RTKPFTVQHNYYJN-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](NC)C1CCCCCCC1	319511907	CMERUILDSXZKPH-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](CC)c1cccc(C)c1	380591454	DKCQGMDCHSJQPX-RHSMWYFYSA-N	247.426	4.860	0	10	BJAE	
CCCC1(NCc2cccc(C)c2C)CCCC1	382277042	KBBJCMJERRRGEX-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1C[C@H](C)c2ccccc2N1	383558656	ZTEBHYHDYHHBKC-XEZPLFJOSA-N	231.383	4.657	0	10	BJAE	
CC[C@](O)(CC1CCC(C)CC1)c1ccccc1	385209697	XZCHJDBDLVDPAD-DQPZFDDXSA-N	246.394	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)c1ccccc1C(C)C	386470534	GKZSRFPBDKJZKX-RHSMWYFYSA-N	245.410	4.564	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@H]1C[C@H]1CC	387694658	YGPZHIIMICYYLX-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@@H](O)C[C@H](C)CC(C)C)CC1	393894439	ALUVTVSIPNSKLO-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](c1ccccc1C(C)C)C(C)(C)C	394137456	ICJWBPLXWRKPIH-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
CCc1ccc2sc(CC)c(SC)c2c1	396172164	WPYPTKAQMWFFCN-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
Cc1cccc2c(S)c(C(F)(F)F)sc12	396305980	PFIYHMXEFBYUBZ-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C1(CCC)CC1	398924810	PCTATBNGORIIBW-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)CC(C)(C)C	402203235	JCMIEKFDHBQXAD-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(CCC1(CN)CCCCCC1)C1CC1	406072619	RIPNOPKSGNBJAY-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)[C@H](C)CC)c1	689593726	BPEWHIKXKJQKCQ-CHWSQXEVSA-N	233.399	4.658	0	10	BJAE	
CCCC[C@H](CC)NCC1C[C@@H](C)C[C@H](C)C1	695299289	JERYTNUQIBSVKE-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CNCC(C)C)C1CCCCC1	696852958	WKQNCHPTOAAGIM-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@H](C(C)(C)C)CCN1	699562148	SUDXYURXZXWTGX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccc(C)c(Cl)c1	701098737	GOTBEGZTOCGYLC-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)c1cccc(C(C)C)c1	701579333	VBSRRMPLJLUFEK-WBVHZDCISA-N	246.394	4.598	0	10	BJAE	
c1cc(N[C@@H]2CCCC23CC3)cc(C2CCC2)c1	706600828	JKPCNAFJCCPNEX-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
CC1(C)CCC[C@@H](NCC[C@H]2CC=CCC2)CC1	706871982	YXJJKGXVNRQNON-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H]1CCCC1(C)C)CC(C)(C)C	709123839	FHSRNUORYDNAGW-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)CCC12CCCC2	709232242	LXFKLERCNINBJZ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H](CCCC2CCC2)c2ccccc2N1	711195554	QWIYOKLNBJHJTQ-HIFRSBDPSA-N	243.394	4.945	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C[C@@H](C)C(C)(C)C)C1	711229489	VAKBYFDPMVWMDH-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@]1(N)C[C@@H]2CCCC[C@@H]21)C1CCCCC1	712389085	PCSFCPXGRXUDIK-HJWJTTGWSA-N	249.442	4.501	0	10	BJAE	
C=C/C=C\CC[C@H](CC(C)(C)C1CC1)NCCC	713698208	WSDRWHXSMMPJHX-XITLMJRVSA-N	249.442	4.703	0	10	BJAE	
C=C/C=C\CC[C@@H](N)c1ccccc1C(C)(C)C	713750131	SHXJDOJPYJBVRI-MWWKQMNYSA-N	243.394	4.506	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	716892727	GCFAKVVQQQKRAI-SQWLQELKSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)CCC(C)=C(C)C	718637167	KHTPHSICTDSPOS-GJZGRUSLSA-N	226.404	4.556	0	10	BJAE	
CC(C)=C(C)CCC[C@H]1CCCC1(F)F	718722466	MZGIDRRZXYZCCN-LBPRGKRZSA-N	216.315	4.948	0	10	BJAE	
CC(C)=C(C)CCc1cc(C)c(C)cc1C	718775376	DVLKXFBYQHRXOI-UHFFFAOYSA-N	216.368	4.901	0	10	BJAE	
CC(C)=CCCc1cscc1C(F)F	720221042	IOAZYKRHGHVAOB-UHFFFAOYSA-N	216.296	4.585	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCCCC2(C)C)c(F)c1	721211188	IKEVUKWFGDQFOQ-CYBMUJFWSA-N	248.341	4.533	0	10	BJAE	
C[C@@H](CC(=O)CC1CC(C)(C)C1)CC(C)(C)C	723579914	DMWGAQLPZVLRQM-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
C(CCC1CC1)CNC1CCC(=C2CCC2)CC1	1207151806	VOZZZXNMSMINLM-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
Cc1sccc1-c1cc(F)cc(C(F)F)c1	1240500833	BHUFQBLUGZCPGP-UHFFFAOYSA-N	242.265	4.800	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1cc(C)ccc1F	1620889976	RBSBAUKQXRBMEA-ZIAGYGMSSA-N	247.357	4.538	0	10	BJAE	
CCN(CCC1=CCCCC1)c1ccccc1F	1642132951	OSXVAYLBOAGMGN-UHFFFAOYSA-N	247.357	4.543	0	10	BJAE	
C[C@@H](NC1CCC2(CCC2)CC1)c1cccs1	1659502438	QOQVVFIAMFCKHY-GFCCVEGCSA-N	249.423	4.512	0	10	BJAE	
C[C@H](C=Cc1ccccc1)c1ccccc1	1857790835	GNQWHYWLSGTMSL-CQSZACIVSA-N	208.304	4.504	0	10	BJAE	
CCNCCC=C(C)CC1CCC(C)(C)CC1	1879519867	KPCISVPAOILXOI-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC[C@H](C)CC1	1905367612	ZBJIQODERGUFSG-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCC[C@@H]1C[C@@H]1C)NC	1908569201	YVJHDYXUKKRPLT-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@](C)(CCC)CNC(C)C	1910749639	WAZSHQLDTKZJOY-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	1911826516	DJINSGDQFMRHKF-BZUAXINKSA-N	246.394	4.684	0	10	BJAE	
CC(C)CCCCC=C1CCc2cc(N)ccc21	1911858614	WRWWHNPOXHATRP-UHFFFAOYSA-N	243.394	4.815	0	10	BJAE	
C[C@@H](CN[C@@H]1CCC2(CCCCC2)C1)C1CCC1	1915856007	VYXDFBNSOJHKIH-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	1919977768	WCLNRBXXJJPDFU-QXSJWSMHSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC[C@@H]1CC1(C)C	1921559059	UFAPHHAFCORNOQ-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)C1CCCC1	1924133933	YKXQGFDVYXAAOF-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C1=CCCCCCC1	1924134164	AOGTUEJQXABNHE-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@H](CCC)Nc1cc(Cl)ccn1	1935602830	WCEDDPXCPOBFQP-LBPRGKRZSA-N	240.778	4.506	0	10	BJAE	
CCC[C@](N)(CCCC1CCC1)C(C)(C)C	1936343759	KOFQWHCLVROJQL-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(C)c(O[C@H](C)CCC(C)C)c1	1937174568	QFUMYLVTVWRYSV-CQSZACIVSA-N	220.356	4.507	0	10	BJAE	
CCC[C@@](O)(CC1(C)CCCCC1)C(C)(C)C	1940403146	KJLIYBBUWOARGL-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC1(C[C@@H](N)CC(C)(C)C2CC2)CCCCC1	1940417583	XDGOWADFUPEAHY-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
c1cc(N[C@@H]2C[C@@H]3CCC[C@H]32)c2sccc2c1	1940418776	XQTYWSOAYGXSJU-OUCADQQQSA-N	243.375	4.502	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](O)CCCCCC2CC2)C1	1941578254	YSDDCKWTDUGAGT-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1CCC1CCC1	1941690331	PNDPGOULGFASQI-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)C(C)(C)C1CCCCC1	1944641228	JSWVZPJKBKYUDA-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H]1C)C(CC)CC	1944832264	NAKKPZJTUMIKGG-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)[C@@]1(O)CCCCCCCC1(F)F	1947509284	DMEASJHDVIZVOP-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@H]1CC12CCCC2	1948139781	RXULBXVLUPDSGY-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@H]2CCCC[C@]2(C)C1	1948594630	AJALVYPLHLWWQA-ZJIFWQFVSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CCC(C)(C)CC	1949012936	DLBTXKKRTMZNJH-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@H]1CCCC(C)(C)CC1	1950919199	NLHJNEPYZRFOIZ-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC2(C)CCC2)CC1	1950920292	UDMVONUQZCSVJA-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC12CC2)C1CCCCC1	1972724487	GPMRDAUIFPFWRE-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)C(C(C)C)C(C)C	1973164151	OSSSPCCYBYFEKQ-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(CC)C(=O)c1csc(C(F)F)c1	1978585550	TYWXQGIDFBLGBY-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CCC[C@H](C)c1nc(-c2ccccc2)cs1	1978653547	KRLDVKAMOXLNLH-NSHDSACASA-N	231.364	4.714	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1CCCCCC(C)C	1984370796	XIQKSQWGMCIUJD-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCC1(C)CC(Nc2ccc(C)c(Cl)c2)C1	1984403648	PPNCDWBVCDEHTN-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CC=CCCC[C@@H](CC(CC)CC)NCC	1984630747	VEKFLIWNDXEPSJ-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC(C)C(CC(=O)CCC(C)(C)C)C(C)C	1988295089	JLMANCCTMUAOTL-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CCCCC[C@](O)(CC)CCC(F)(F)CC	1990092044	URAWONMMTJGSSN-GFCCVEGCSA-N	236.346	4.533	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC[C@H](C)C1	1990092567	BCKYWFBVYDTDPT-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H](C1CCC1)N(C)C[C@@H](C)CC(C)(C)C	1995742866	CDKNUWWOTHJALT-ZFWWWQNUSA-N	239.447	4.569	0	10	BJAE	
CC[C@](O)(C[C@H]1CCC[C@@H]1C)C1CCCCC1	1996545796	CLAKKXKPPUECLJ-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C1CCC(C)(C)CC1	1996546276	INTNQRBVVRZITJ-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(C(=O)[C@@]2(C)CC=CCC2)cc1Cl	1997607174	RYIAHOQZNXSLKV-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
CCC1(CC)CCCN1[C@@H]1CCCC(C)(C)C1	2000157295	CBFCUPBMMAWQFI-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CC[C@H](C)C1	2000188803	LZEXJZGVUXRLRJ-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CN)[C@@H]1CC[C@@H](C)[C@H](C)C1	2000501016	AXXRPBQATIRYQW-KLHDSHLOSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@@H]1CC12CCCCC2	2001224432	IIQZBXIKCDONSA-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@](C)(N)[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2003016721	QFVYLDHEJREJCK-HOSILWTGSA-N	239.447	4.602	0	10	BJAE	
CN(C1CCCCCCC1)C1CCCCCC1	2003166243	DZLUKYSTBLTJEP-UHFFFAOYSA-N	237.431	4.754	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](NC)c1ccco1	2003679645	JHJRMFQTZFGUFW-KBPBESRZSA-N	237.387	4.537	0	10	BJAE	
CCC1CC(C[C@@H](N)CC2CCCCCC2)C1	2007747752	WRHSMLNCDIDPDK-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC[C@@](O)(C=C1CCCCC1)C1CCCCC1	2007926553	OPUCINCBIZETDZ-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H](N)C1(C)CCCCCCC1	2009587767	FYCJEGJKFWOCRK-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)C[C@H](C)CC(C)C	2013309969	VADNOYVYRKNXPP-CVEARBPZSA-N	241.463	4.815	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)c1sc2ccccc2c1C	2014293206	SDOZSFYHNVEYOZ-QMTHXVAHSA-N	247.407	4.646	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@@H](C)C1(C)CCCC1	2014336130	BFYJFXHGGTZYKF-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H](C)C1(C)CCCC1	2014337793	FJJAFMHBUKQJSF-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CCCCC[C@@](C)(N)CCC(C(C)C)C(C)C	2015391131	VXJKDEWQASQRQJ-MRXNPFEDSA-N	241.463	4.993	0	10	BJAE	
CN[C@H](CCCC(C)C)CC(C(C)C)C(C)C	2015396474	FFOWJBHBWXRLHQ-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H](C)C(C)C	2015396637	FRMYQESOYUELNF-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C)[C@@H](CC(C(C)C)C(C)C)C(C)C	2015413313	UKJFHSWCYDXRRF-ZBFHGGJFSA-N	241.463	4.575	0	10	BJAE	
CC(C)=C(F)C[C@H]1CCCCCCCCC1=O	2017463976	NYSLUTCKPHITSZ-CYBMUJFWSA-N	240.362	4.960	0	10	BJAE	
CC(C)=C(F)C[C@@H]1CCCCCCCCC1=O	2017463977	NYSLUTCKPHITSZ-ZDUSSCGKSA-N	240.362	4.960	0	10	BJAE	
CCC1CCC(C[C@]2(O)CCC(C)(C)C2)CC1	2017660117	ZLGLUTOFACKOTB-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@H]1CC[C@H](C)CC1	2017722389	PRZSDLBBESKPHY-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(CC(C)(C)C[C@@H](C)NC)CC1	2017734860	DBVSHSQMZKEFDN-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CCCCC23CC3)sc1C	2017993707	ZUMUNTGZTWBWBS-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCCCC[C@H](CC)NC[C@]1(C)CC=CCC1	2018132125	RKCHJDFBICHNDP-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)CCC(C)(C)CC	2019381974	KLPPOHOXAITBCQ-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCC1CC(Nc2ccccc2C2CCC2)C1	2021026329	QKMRBMSWIGYVAM-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
CC(F)(F)CCCCC1(N)CCCCCCC1	2023289174	BHKQLKRAQXYLKU-UHFFFAOYSA-N	247.373	4.644	0	10	BJAE	
CCC1CC(CC(=O)CC2(C(C)C)CCC2)C1	2025419885	XEKVHBZOKKCBMH-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@]1(C2CCCCC2)CC=CC[C@H]1C	2027924446	VJJSPUJMSGAXDC-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](CC(=O)c1ccccc1C1CC1)C(C)(C)C	2028576775	KJJSFZKLNTXXFT-LBPRGKRZSA-N	244.378	4.819	0	10	BJAE	
C[C@@H](c1ccccc1)[C@@H](O)CCCCCC1CC1	2028618607	HYAYGKGBMXPUNX-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](CC2CCC=CCC2)C1	2028872195	AUYSSPFXWSNXIB-JKSUJKDBSA-N	248.410	4.764	0	10	BJAE	
O=C(CC1CCC=CCC1)C[C@@H]1C[C@H]2CC[C@H]1C2	2028875910	RQRIEYIMAIJKJW-JYJNAYRXSA-N	246.394	4.518	0	10	BJAE	
CC(C)Cc1ccccc1[C@H](N)[C@@H](C)CC(C)C	2028917084	AKGYXBVGGHAZDK-WMLDXEAASA-N	247.426	4.567	0	10	BJAE	
C(CCN[C@@]12CCCC[C@@H]1CCC2)CCC1CC1	2031809207	PXEDSNLTWLPMCU-IAGOWNOFSA-N	249.442	4.659	0	10	BJAE	
CCCc1cccc(C(=O)[C@H]2CCC(C)(C)C2)c1	2033394627	PGSYHMKGGAZOKT-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CC1(C)C2CCC1([C@H](N)CCCC1CCC1)CC2	2033437031	LBJIAPBKVCTSAK-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CCCCC1CCC(C(=O)C2[C@@H]3CCC[C@@H]23)CC1	2033483750	CKIAFIMIDLENMX-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCC1(C)C)c1ccccc1	2033558419	HIKGHXAMPHWXSA-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC2(CCCC2)C1)C1CCC1	2034365089	UFGIDAAVZKDBIM-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H](C2CC2)C1	2035403448	JSVFYLFXOIVVOB-VQHPVUNQSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)C[C@H]2C=CCC2)CC1	2035588774	FNEPLBPPFBGFDB-SLTXQBBLSA-N	249.442	4.523	0	10	BJAE	
CCNCC1(C[C@@H]2C=CCCC2)CCCCCC1	2035603880	XJBAUHHJINASKK-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@@H]1CC12CCCC2	2036105074	KFGQDBMIRSYDEE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@H](NCC1CCCCC1)C2	2036666734	QZJJPFDGXREFII-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@H]3CCCC[C@]3(C)C2)c1	2036668978	WEJFRMDBSSMQCT-DJIMGWMZSA-N	243.394	4.766	0	10	BJAE	
CCC[C@@H](CCC(C)(C)c1ccccc1)NCC	2036956685	DSHNTKRWQPMBSQ-INIZCTEOSA-N	247.426	4.523	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc([C@H](C)C3CCCC3)[nH]c21	2038001039	XHOUVQRHOMSAQS-GRYCIOLGSA-N	246.398	4.704	0	10	BJAE	
N[C@@H](CCC1CC2(CCC2)C1)CC1CCCCC1	2038167065	QUFKIRLUETZHKM-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@H](N)CCC(C)(C)C1CC1	2039432041	LATPOVAPNRDURN-BMFZPTHFSA-N	249.442	4.523	0	10	BJAE	
CCCCc1ccc(NC[C@@H]2CC[C@@H](C)C2)cc1	2040122190	ZQCWZGVJJCMCPB-GDBMZVCRSA-N	245.410	4.877	0	10	BJAE	
Cc1ccc(C(=O)CC2CC(C(C)(C)C)C2)cc1	2043000184	KTHKEBUUYUYKIK-UHFFFAOYSA-N	244.378	4.640	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC1CC2(CCCC2)C1	2043185904	AKVMFKROWNQHEA-CQSZACIVSA-N	247.426	4.578	0	10	BJAE	
CCCNCC1(C[C@H]2CCC=CCCC2)CCC1	2045319755	GZTHXISNHLBWIS-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC[C@@](O)(c1ccccc1)[C@@H]1CCCC(C)(C)C1	2045368224	SOMTUVPZDFKINP-NVXWUHKLSA-N	246.394	4.501	0	10	BJAE	
CCN(C[C@H]1C=CCCCC1)c1cccc(C)c1	2046571421	SWTPMHIYZPNBPX-INIZCTEOSA-N	243.394	4.568	0	10	BJAE	
C[C@H]1CCCC[C@H]1N1CCC2(CCCCC2)CC1	2046583761	QLXYJSQFRDOAPR-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
N[C@H](C1CCCCC1)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047411503	BNWPBDIDVQNNTB-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC1[C@@H]2CCCCC[C@@H]12	2048443415	NUDCUOCMUGNETA-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC1[C@H]2CCCCC[C@H]12	2048447394	VKSNPRSFRBEEBJ-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(NC2C[C@@H]3CCC[C@H]3C2)CCC1	2049678009	IRDDOTKJAJELDL-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CN[C@H](C[C@@H]1CCC2(CC2)C1)CC1(C)CCCC1	2049848254	IBIFZYRZENUUNQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2CCCC3(CC3)C2)[C@@H]1C	2049857118	PNPGYXRCSSZJSC-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CN(C[C@@H]1CCC2(CC2)C1)C1CCCCCCC1	2049937077	ADBIESUOTKSYDU-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CN[C@@H](CCCCC1(C)CC1)c1ccc(C)cc1	2050431726	SBFRSXQAJXURHH-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1CC[C@@H]2C[C@H]2CC1	2051398444	AKBMPGXFXFKFMP-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2C=CCCCC2)CC1	2051596275	RLVDCKAWILMCMU-HNNXBMFYSA-N	249.442	4.824	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCCCCC[C@H]21)C1(C)CCC1	2052354799	WUWIMNLINGGILV-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCCCC23CC3)CC1	2053304498	DJJOVOGFLWGMQP-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H]2C[C@H](C)CC(C)(C)C2)CCC1	2055544732	IVQXGKMTSFMRDJ-RCBQFDQVSA-N	249.442	4.680	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1	2056539401	KIHHMBMDDWIAJP-AUUXXJPVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C=C2CCCCC2)CC1	2056869932	GIKVVQDAZIAVKE-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@H]1CC=CCC1	2056873290	LXQKMYSGJUZFDB-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC1(C2CC2)CCCC1	2057649668	XWGAEGPUIBFUGC-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC(N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2058831870	QRIWYVPOTQOZOV-VPABYTGTSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC=C(C[C@@H](O)c2ccc(C)cc2)CC1	2061097745	DUWIJNCZXDCIHM-RHSMWYFYSA-N	244.378	4.555	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@](C)(N)C2(C)CCC2)CC1	2061119170	MVEAWSMTAPEPIU-GUYCJALGSA-N	249.442	4.667	0	10	BJAE	
CC1=CCCC[C@]1(N)C1=CC[C@@H](C(C)(C)C)CC1	2061120378	XDAYTOAJMJUFSQ-RHSMWYFYSA-N	247.426	4.587	0	10	BJAE	
CCc1ccc(NCC[C@@]23CCC[C@@H]2C3)cc1C	2061573158	VYPRAMNPXBNAGF-NVXWUHKLSA-N	243.394	4.550	0	10	BJAE	
C1CC(=C2CC(C[C@@H]3CCOC4(CCC4)C3)C2)C1	2061729186	SZNCCWAUUDOTSY-ZDUSSCGKSA-N	246.394	4.616	0	10	BJAE	
C[C@@H]1[C@@H](N[C@@H]2CCCCCC23CC3)CCC[C@H]1C	2062019241	VHJAAOCCIHWHPH-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063486082	GYWALCPYYBWAHM-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](N)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063489898	GYWALCPYYBWAHM-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]1C[C@@H](C2(C)CCCC2)C12CCCCC2	2067498004	HEKOKFPZVGVINV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068772726	IZMSCDVMLHZKCY-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CN)(C[C@H]2CC23CCC3)CC1	2069170865	JNBTXNALRFRPOG-PCKAHOCUSA-N	249.442	4.502	0	10	BJAE	
CCCC1(C[C@@](C)(N)[C@@H]2C[C@H]3CC[C@H]2C3)CCC1	2069277947	CHTOMTUVPJKBAQ-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CC(=O)c1ccc(C2CCCC2)cc1	2071478272	IWWIVNDRJODOJF-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CC[C@H]2C2CCC2)CC1	2071786414	NRPKNWNSBVCJLM-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)C1(C(C)(C)C)CCC1	2071924599	SUDKWURRKLXXTB-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)c1cccc(C2CCC2)c1	2072096122	RKYMARYUIICFKP-TZMCWYRMSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@]23CCCC[C@@H]2C3)C1	2074094895	OMRZEGPZYOHBAI-NHMAURGWSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccccc1NCC1(CCF)CC1	2074649153	QOIMYBKGJCWPAP-UHFFFAOYSA-N	249.373	4.536	0	10	BJAE	
CCCNC[C@@]1([C@H]2C=CCCCC2)CCC1(C)C	2075365053	KEGYPQSCKLZFEA-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(F)c1C(=O)CCC[C@@H]1CC1(C)C	2075976423	HSNBXUHAANWLSC-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC(C)CN(C[C@@H]1C=CCC1)C1CCCCCC1	2076551412	VZUYERTVWBSPKU-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@H]1C[C@H]1CCC	2079441835	XVZIKFGYSOCSHD-PQEBFOHHSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@H]1C[C@@H]1C1CCCCCC1	2079522846	LGYVEGZGAJSSBB-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1C[C@H]1C1CCCCCC1	2079526421	FJLNEMRRPAAQFL-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2C[C@@H]2C2CCCC2)c1	2079640101	LDZWESWSMAZYHS-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
CC(C)(C)NCC=C[C@H]1C[C@@H]1C1CCCCCC1	2079664517	GDBOPYNTSBUWLX-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1[C@H](C)CCC[C@@H]1C[C@H]1C=CCCCC1	2082838376	RDMPPLRCUZAKQE-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2082982651	MMNIOIPMTJJNIP-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc2[nH]c([C@@]34CCCC[C@H]3C4)cc2c1	2083313552	CQGLSKXXPPDBOK-WMLDXEAASA-N	239.362	4.562	0	10	BJAE	
COc1ccc2occ(C3CCCCCC3)c2c1	2086721729	DZWBUYSSYQHOFB-UHFFFAOYSA-N	244.334	4.879	0	10	BJAE	
CCC(C)(C)CNc1cc(C)c(Cl)cc1F	2210737493	FZFBISIMAMKRBW-UHFFFAOYSA-N	243.753	4.636	0	10	BJAE	
CCC[C@@](C)(CN[C@@H](C)CC)C[Si](C)(C)C	2212586114	HNGHZCDSEWAVCA-KBPBESRZSA-N	243.511	4.519	0	10	BJAE	
CCc1cc(Cl)ccc1NC1CCCCC1	2212627016	FAVCGJOTPIXKOB-UHFFFAOYSA-N	237.774	4.647	0	10	BJAE	
CC[C@](CN)(CCCCCCC1CC1)C(C)C	2213573914	MTQKAPJCJUABNL-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
N[C@@H]1CCCCCC1=CCCCCCC1CC1	2213577307	APGXNZFVMCXYGH-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CCCCCCC1CC1	2213577371	ZTSMYKXIZQXIPB-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CSc1cccc(CC=Cc2ccccc2)c1	2213822834	LWLWQJMTZTZRQM-UHFFFAOYSA-N	240.371	4.664	0	10	BJAE	
O=C(CC1CCCC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218322187	JVIRLJZYTVXWET-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
N[C@@H]1CCCC[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218365196	KZBXZQVWPRRRMS-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC(=CCCCCCC1CC1)[C@H]1CC[C@H](N)CC1	2218721532	SFAMQKZXTPUSJM-QAQDUYKDSA-N	249.442	4.811	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1	2218733200	WGXUQSJCAZCLNG-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
c1ccc2c(OCCCCC3CC3)cccc2c1	2220043775	BJZWTPFTNBUSGM-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
CC(C)(C)c1ccc(OCCCCC2CC2)cc1	2220048028	YQIDOYRZTJKGKN-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
CCC(CC)c1nc2cc3ccccc3cc2[nH]1	2220277417	AYKYSCGXDSUPIH-UHFFFAOYSA-N	238.334	4.620	0	10	BJAE	
CC1(C)CCC(CNC2(C)CC3(CCC3)C2)CC1	2220975348	PWLXVZQYSWLMTC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CCCC[C@@H]2C2CC2)C1	2221027572	HTWURUKFLXVBJY-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)C[C@@]1(CNC2CC2)CC=C(C)CC1	2221654240	NKMBKWOKQDQCGW-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C(CCCN[C@@H]1CCC[C@H]2C[C@@H]21)CCCC1CC1	2223107489	YNSCXCDOCWLENE-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@H]1C[C@@H]2C[C@@H]2C1	2223111618	VRDSRAUZUJHSIB-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](c1ccc2occc2c1)[C@H](C)CC	2224129185	CMNIPUXDQBYNLU-WBMJQRKESA-N	245.366	4.520	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1cccc2ccoc12	2224196970	YJRVJIPEKBDLBR-SWLSCSKDSA-N	246.350	4.539	0	10	BJAE	
FC(F)(F)c1ccc(C2CC=CC2)c(Cl)c1	2243961531	CBPFMAULCRXCTQ-UHFFFAOYSA-N	246.659	4.792	0	10	BJAE	
CC(C)(C)C(N[C@@H]1CCCC1(C)C)C(C)(C)C	2247726112	ZZBZPKTVGYUUDY-GFCCVEGCSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@@H]1CCCC[C@H]1C	2252640435	VJRJSJKPSKVULL-HZPDHXFCSA-N	239.447	4.569	0	10	BJAE	
Cc1ccc(-c2nc([C@H]3C[C@@H]3C)c(C)s2)cc1	2252757550	GXQNYNYHXLESRA-GWCFXTLKSA-N	243.375	4.550	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1ccc2ccsc2c1	2253085291	BTVGOMYZRKRYOJ-ABAIWWIYSA-N	248.391	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C[C@H]1CCCCC12CC2	2253802911	GCCSYZOLLYGQMC-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C(=O)CC[C@H]2CCC[C@@H](C)C2)oc1C	2253930492	MXQRBBWBZZHHJX-BXUZGUMPSA-N	248.366	4.686	0	10	BJAE	
Cc1cccc(C(=O)CCCCC[C@H]2C[C@H]2C)c1	2254516395	JURPGWIJSLNBSA-CABCVRRESA-N	244.378	4.784	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@@H]1CCC12CCC2	2255025908	PCRSYYCUTZQEAP-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC1(CNc2cccc(C(C)(C)C)c2)CCCC1	2257943698	ARLWRSVUKZNYGH-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@]12CCC[C@@H]1CC2	2260505116	YDKIBKUBTPZFLC-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@@]23CCCC[C@@H]2CC3)C1	2260518545	FPWZMERFQUXJPG-RUCLQGLUSA-N	248.410	4.598	0	10	BJAE	
CC[C@]1(C[C@@]23CCCC[C@@H]2CC3)CCCCCN1	2260677115	CTSSRDDILFIRCP-IXDOHACOSA-N	249.442	4.659	0	10	BJAE	
CC(=CC[C@]1(O)CCC1(C)C)CCCC(C)C	2300916433	NQMWRNHMDSYWEY-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CC2CCCCCC2)C1	2301142109	GMXSZLZESVZHCY-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)CCC1=CCCCC1	2301947076	YEURZAYVUZDATQ-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@H]1CC[C@H]1C(C)(C)C	2303512183	SSLRIJKUSQBACX-GBJTYRQASA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1cccc(C(C)C)c1	2303717883	QPGBOXBODDXMOQ-ZENOOKHLSA-N	234.383	4.526	0	10	BJAE	
CC(C)Sc1cccc(-c2ccc(O)cc2)c1	2307550936	KJGFECARXMPCJE-UHFFFAOYSA-N	244.359	4.560	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(N)CCC12CCCCC2	2307826334	LICPGDDYGHUSKL-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CCC(C)C)C1CC1	2307844549	OCFHIMAPKQHTEX-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)C1(C)CCCCC1	2307892646	IYHAHRGJTBLLRY-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(C(C)(C)C)CCC1	2307910386	NPTRRLKOYZVLHY-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H]1C[C@H]1C1CCCC1	2311512557	BQMYOCCODOUNIW-WVVOIENYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCC1)N1CCC2(CCCCC2)CC1	2313613279	UFXXLTNAUYQSJT-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](CC=C(C)CCCC(C)C)c1ccco1	2316546980	JECVSRJIJXANKB-OAHLLOKOSA-N	249.398	4.703	0	10	BJAE	
O=C(CCC1CCC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316879159	RCZKBQSXLBCUDD-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1[C@H](C(=O)C2CC3(CCCCC3)C2)CC1(C)C	2318284641	IYASGSQCWUXCJO-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]2CCC[C@@H]2N1CCCC1=CCCCC1	2318592555	KHIZGQOVZVSENL-OIISXLGYSA-N	247.426	4.530	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)CC1CC(C)C1	2318593577	WIQZLEKQNGAZIG-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
O=C(CCCCC1CC1)C[C@H]1CC12CCCCC2	2318878887	WNRHMWQGDMKFKE-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C[C@@]12CCCC[C@H]1CC2	2318937859	DNMCQVKHQSFIRY-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)C2(CC3CCC3)CC2)C1	2319033917	GZDJJZHORBTBKG-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCCC[C@H]3C[C@@H]32)CC1	2319254012	ZLONIJUQALQUTK-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(C[C@@H]2CCC(C)=C(C)C2)C1	2320327411	APYOJWNICWVYEK-BRWVUGGUSA-N	249.442	4.668	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)[C@@H]2CCCC2(C)C)CC1	2320338129	SHCGBQVTZXXCJR-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)C2(C)CCCCC2)CC1	2320348479	QSVYPLMGYZQGLA-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H](C)c2ccc(C)cc2)CC1	2320411698	FXKYFFOIGIOLNQ-WBVHZDCISA-N	243.394	4.535	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)C[C@H]1CCCCC12CC2	2320432958	VOCSMVVXRDSFMC-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H](CC2CC2)C2CC2)CC1	2320518067	ZHZWDXVKFYNJMR-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@H](Cc1cccc(C(C)C)c1)NC	2320649149	VWNFPGWOEKJNDM-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)Cc1cccc(C(C)C)c1	2320662753	HAXSCMIHEXRMIA-NVXWUHKLSA-N	247.426	4.506	0	10	BJAE	
CCCCCCc1ccc([C@@H](NC)C(C)C)cc1	2327897097	XLACMYYXCWROHZ-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)c2cc(C)oc2C)c1	20438316	FAALPOOHUXBTQK-ZDUSSCGKSA-N	243.350	4.686	0	10	BJAE	
CC(C)Cc1ccc([C@H](C)N[C@H](C)C(C)C)cc1	20523028	WYNLUZFFWVAPJR-CABCVRRESA-N	247.426	4.580	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)c1C	20556384	QDJRIFQEPJPQPA-SWLSCSKDSA-N	245.410	4.930	0	10	BJAE	
C[C@@H](NC1CCCCCCC1)c1ccccc1F	21016701	BKASTFSFGFQNQL-CYBMUJFWSA-N	249.373	4.589	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)CC2CCCC2)cc1	21797147	OPXZXIXBICAVPA-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CC(C)C[C@@H](C)Nc1ccc2ccccc2c1	36952010	YTJQYCHEJZVAQK-CYBMUJFWSA-N	227.351	4.686	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cc(C)oc1C	37032490	CEGKUAGQNWHGPC-BJJXKVORSA-N	249.398	4.516	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CCCCC2)cc1C	37202299	LETGXCKTFLUYAY-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCCC[C@@H]1CC	71163232	BINWUADENAJRTR-PMPSAXMXSA-N	240.431	4.924	0	10	BJAE	
Cc1cc(C)c([C@H](C)NC[C@@H](C)C(C)C)c(C)c1	81045173	KVYTVUDKPOUMOY-CVEARBPZSA-N	247.426	4.555	0	10	BJAE	
CCCc1ccc(N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1	85086593	HOHJLPOXPBAOLL-KEYYUXOJSA-N	245.410	4.876	0	10	BJAE	
CCc1ccc(O[C@@H]2CCCC[C@H]2CC)cc1	85150722	RKSDURLINRFRMX-GDBMZVCRSA-N	232.367	4.597	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H](CC)C2CC2)cc1	86116842	QIXNNMDYOGZEHV-LRDDRELGSA-N	231.383	4.801	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2cc(C)ccc2C)C1	87983992	JOYPYMZHXCGSGN-HUUCEWRRSA-N	244.378	4.703	0	10	BJAE	
CC[C@H](C)C[C@@H](O)C1CCC(C(C)(C)C)CC1	87985476	UFTAFHBNASZTEM-VXGQWTEUSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1C[C@H](CC)CCC1=O	103933251	FLGDPIGFCNHSME-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@H](CCC(C)(C)C)NCC	126743135	DAHAYQLOQROLLI-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
c1csc(CNc2csc3ccccc23)c1	134538667	BJUMWSKNCONMDL-UHFFFAOYSA-N	245.372	4.575	0	10	BJAE	
CC(=O)CC[C@H](C)Cc1ccc(C(C)(C)C)cc1	147812158	AIKVDADNNFMUDG-ZDUSSCGKSA-N	246.394	4.532	0	10	BJAE	
CCC[C@H]1C[C@@H](CC)CC[C@@H]1CNC(C)(C)C	156092549	SOJXFTWWUPOWAH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)c1cc(C)cc(C)c1	162249952	NJMBPBJLUIQLIK-DYVFJYSZSA-N	247.426	4.780	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C[C@@H](C)CC	162455566	FGQOAUUBHWUYIZ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H](NC)c1ccc(C)cc1C	211833288	UQCTUVGZGDFKFX-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)c2cccc(C)c2C)C1	227390779	KEMIJUHIGGRELU-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@@H](CC(CC)CC)C1	227563535	RAUYEWNWBOHODL-OAGGEKHMSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@H](CC)c1c[nH]c2ccc(OC)cc12	232994764	VGWNZVUIGOEFCX-LBPRGKRZSA-N	245.366	4.860	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2ccc3c(c2)NCCC3)C1	233956022	KWRUSLPAQFQEIR-UKRRQHHQSA-N	243.394	4.729	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@H]1CCCC(C)(C)C1	252184409	QOWIPIHIMUDCPT-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CC(C)SCc1cc2c(Cl)cccc2o1	258139949	VQZSLGYBPSNSJD-UHFFFAOYSA-N	240.755	4.728	0	10	BJAE	
C[C@@](F)(c1cccc(O)c1)C1CCCCCC1	258784828	JKNJOSJJKPZMMA-HNNXBMFYSA-N	236.330	4.547	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@@H]1[C@H](C)CCC	300461961	GPSUQEXTIMKXSD-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](c1cc(C)c(C)o1)C1CCCCC1	302271703	ALOJRNKJYYCMNQ-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCNc2ccccc21	305901486	BQYBGPSCVTVGAS-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
CCc1cc(N[C@@H]2CCCC2(C)C)ccc1C	306023163	OHZLGFVQXSRKBH-OAHLLOKOSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC1CCCC1)NCC	306060424	WULODZUQZPXWRI-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2CC[C@@H](C)C2)n1	309236493	LQQOCWRXBRVZKT-GHMZBOCLSA-N	237.412	4.734	0	10	BJAE	
O=C(C1CCCCCC1)C(C1CCC1)C1CCC1	310630206	MUWCZODWAYSENZ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CNC[C@]1(CCCC(C)(C)C)CCC[C@H](C)C1	316897821	JMAWCTZODDWRNT-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(C)(C)CNC(C)(C)C)C1	317751397	ABVIPDRUVYNCHX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@](CNC2CC2)(CC2(C)CCC2)C1	318189114	KLNIDAWAFVCYLF-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](CNCC(C)C)CC(C)C	319097958	DLWDLTDXBHNSEC-JYJNAYRXSA-N	241.463	4.577	0	10	BJAE	
CC[C@H](C)c1ccc(NCc2ccoc2C)cc1	320999769	RXFQTOLHJLDCDK-LBPRGKRZSA-N	243.350	4.714	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC12CCCC2)C1CCC1	322241858	AKRTZXSNOKPRTH-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
Clc1ccc2[nH]c3c(c2c1)CCC31CCCC1	328105946	MNONVDWMTRXPEE-UHFFFAOYSA-N	245.753	4.579	0	10	BJAE	
C[C@@H](CC(=O)c1cccs1)C1CCCCC1	380185492	YXXMBIPHIBKJAK-NSHDSACASA-N	236.380	4.537	0	10	BJAE	
CCC[C@H](NC(C(C)C)C(C)C)c1ccccc1	380700453	XATCFXLLMDCZCF-INIZCTEOSA-N	247.426	4.798	0	10	BJAE	
C[C@H](C[C@@H](O)CC1(C)CCCC1)c1ccccc1	381167004	AHCMLWKUOMELTC-GDBMZVCRSA-N	246.394	4.512	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1csc(C)c1	381188682	SSMPCRAVMKRXLO-GFCCVEGCSA-N	238.396	4.846	0	10	BJAE	
CC(C)c1ccccc1[C@@]1(O)CCC[C@H](C)CC1	381415623	ZNUSFPCCYAKCTE-WMLDXEAASA-N	246.394	4.598	0	10	BJAE	
CCCC1(N[C@H]2CCC23CCCCC3)CCCC1	382336406	IAKYMJBIUFCSJT-HNNXBMFYSA-N	249.442	4.802	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H]2CCCC[C@H]2C)cc1	384492843	MDBDDZTYABPZRD-COXVUDFISA-N	246.394	4.670	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1C[C@H]1CC(C)C	387965346	DYZCABSRGDPRIM-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H](C)CC(C)C	394752182	VELKCTMPAKCRHG-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC12CCC2	394879821	ZNICHEPAOBILII-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@]2(C)CCC(C)(C)C[C@@H]2[C@H]1C	396165974	PEBJZQBEEWPOET-XPCVCDNBSA-N	208.389	4.885	0	10	BJAE	
CCC[C@@H](Nc1cccc(C)c1C)[C@H]1CC1(C)C	397608235	NHHYSEKVKNRKSO-GDBMZVCRSA-N	245.410	4.930	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCC1CCC1	398755276	GAIUIKTXQCKEOJ-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]([C@H](N)c1ccc(C2CCC2)cc1)C(C)(C)C	399086674	VACCTIKMNOYEJO-LRDDRELGSA-N	245.410	4.636	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](N)CC2(C)CC2)cc1	401510703	HJUKSBUIRAZQHK-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CC[C@H]3C[C@H]3C2)c1	403823822	LNJLXFPMIKEGKN-VNQPRFMTSA-N	243.394	4.658	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CC(C)(C)C2CC2)cc1	405705063	IRVLRRPFOHYUEM-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CN[C@H](CCCC1CC1)CCC1CCCCC1	405740189	OWCFKJSFENBRHM-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCCC1CC1)c1cccc(C)c1C	405874952	TYUOGDHYDQSJIR-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC1CCC(N[C@@H](C)CC2CCCCC2)CC1	689751968	FHLRKSKKNYKSEK-BBBYJDLNSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N[C@H](C)CC1CCCCC1	689757472	VORRRKWUHWYBLU-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CC1(CN)CC2(CCC2)C1)C1CCCCC1	691441489	QVWKLFCDKZKGHL-CQSZACIVSA-N	249.442	4.502	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@]12CCCC[C@@H]1C2	693183453	OXRPAPCLYDYFKK-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCC[C@H](C)C1	696593368	LUKAQUPBCKPMJJ-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCCC[C@H]1C	696725751	FUWMEUQEIZCCOP-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1[C@H]2CCCC[C@H]21	697775752	VWTOQVGOGDJULR-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	699136555	SXGIUPAJFJMTEX-BRXULGCHSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)C2CC(C)(C)C2)cc1	701455144	MMGKQQPMNPEQLO-MLGOLLRUSA-N	246.394	4.670	0	10	BJAE	
CCC1CCC([C@@H](O)[C@@H](C)CC(C)(C)C)CC1	704612461	MUJMZZIIAOBCAF-PPWQZUPISA-N	240.431	4.636	0	10	BJAE	
CCCc1cccc([C@H](O)[C@H](C)CC(C)(C)C)c1	704687270	WHRLEIAIWCDJLE-CZUORRHYSA-N	248.410	4.745	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CC[C@@H]3CCC[C@H]32)CC1	707841567	AESULTILUIOQGX-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H](N[C@@H]2CCCC3(CC3)C2)CC(C)(C)C1	708873016	XEQXVJFIPPMYDU-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@]1(O)CCCC(C)(C)CC1)C(C)(C)C	710734410	DUNALHUNUIZJEU-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C[C@H](O)CCC=C(C)C)C(C)(C)C	711053458	NMKMWZBTNMJRBE-UONOGXRCSA-N	226.404	4.556	0	10	BJAE	
CC(C)c1cccc(N[C@H]2C[C@H]3CC[C@H](C3)C2)c1	711066094	BATSIOCQBXDAJG-XOIINTDNSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H](C[C@H](N)C(C)(CC)CC)C(C)(C)C	711069932	MFXKZXKXBSECLU-STQMWFEESA-N	227.436	4.602	0	10	BJAE	
CC(C)NC[C@H](C[C@@H](C)C(C)(C)C)C(C)(C)C	711174563	PELZPFNOSKDVIL-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)CCCC(C)(C)C	713052020	WDIXRUFGRLHYRD-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCCCNCC(C)(C)C(C)C	713164631	KCFLCYPBJHALIM-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@@H](CC)CC(C)C	713173068	CXBOSCWUNVVIEE-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H](C)CC(C)(C)C	713177013	SZLMLGIWCRZSMT-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@H]1CCC[C@H]2CCCC[C@H]21	714441516	XYZZNXGAWFFCPI-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)c1ccccc1C	720351785	WLWFASSZKPFPMH-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
c1ccc(CSCCC2CCCC2)cc1	1165435060	YSCHHUKETVJFKU-UHFFFAOYSA-N	220.381	4.500	0	10	BJAE	
CCCCCCN1CCC[C@@H](C(C)(C)C)CC1	1167406497	QYNKJZMZHKSXFU-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
c1ccc2c(c1)CCCC[C@@H]2SCC1CC1	1656588645	BZENSMAUEBZZGC-HNNXBMFYSA-N	232.392	4.597	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CC(C)(C)CC[C@@H]1C	1659927726	FTAUGGQAJYPQDX-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(=CCCNC(C)(C)C)CC1(C)CCCC1	1883703966	CLRHHSBIBDZCEI-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CCCC1CCC1	1900582211	BPTDIXZSDGSJGA-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)[C@H](C)CC(C)C	1900697041	NHMWOLIBGBMTOP-UKRRQHHQSA-N	228.420	4.636	0	10	BJAE	
CSc1cccc(N[C@H](C)[C@H](C)C(C)C)c1	1901627106	SBRYFTIXMIPSJZ-VXGBXAGGSA-N	237.412	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc(Cl)cc1	1905435809	UQPFHPIZQACNLQ-FZMZJTMJSA-N	239.790	4.556	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CC(C)(C)CC)NC	1905451768	APIODRPJJCKGTL-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC1(C)CCC(O)(C[C@@H]2CCC[C@H]2C)CC1	1907005348	LQROFIBVGXFKBY-QVOMUQBLSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@H](O)CCCC(C)(C)C	1907595668	ZVLCUKNICNRARO-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
C=CC=CCCNc1ccc(-c2ccccc2)cc1	1911873915	QELNCRNHRXDEKS-UHFFFAOYSA-N	249.357	4.898	0	10	BJAE	
CC(C)CNCCCCCC=Cc1ccccc1	1911961204	LFOFZLYEIPJMSW-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CCCC[C@@H](NCC)C1CC2(CCCCC2)C1	1912632242	BQPRQSYBGJCJBL-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CCC2(CCCC2)C1	1916438176	NXFDCCHEBQOVCO-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CCC[C@H]2C)C=CCCC1	1916565976	VOEVKZFBGQBKSI-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)c1ccc(C(C)C)cc1	1920209025	WPYPEDPGBLXEOX-RHSMWYFYSA-N	247.426	4.810	0	10	BJAE	
CC=CC[C@@]1(CNC(C)(C)C)CCCC12CCC2	1921603968	HXICVRNLPLSBML-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@](C)(C[C@H](C)CC)C1CCCC1	1924091933	JZIQEMDSRZRSSB-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCc1ccccc1NC[C@H]1C=CCCCC1	1925930547	REXJMYQOBFUYKN-HNNXBMFYSA-N	243.394	4.797	0	10	BJAE	
CCC(C)(CC)CNC1CCCCCCC1	1936270688	JGCYVVHZGJUPEJ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC(C)(C)CC(=O)c1sccc1C1CC1	1937049533	WHOYCJWVHFWRKA-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1CC(C)C1)NCCC	1940682362	KASLKKGKGPFQBI-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)[C@@H](C)CCC(C)C	1942654658	BZDHTYIHJWRFHB-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CC1(C[C@H](O)C(C)(C)C2CCCC2)CCCC1	1944621309	CRNTWRZNFDIKIZ-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)C(C)(C)C1CCCC1)C(C)(C)C	1944647376	VVEYTSXBADBLBJ-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)C1CCCCCCC1	1944844874	CSDBKENKPJQHMU-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@H]1CCC(C)(C)C1	1945594191	STIBVPHFNISAPB-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC[C@@H]1CCC(C)(C)C1	1945594214	SWLSLYCJINUXFY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)NCCCCC(C)(C)C1CCCCC1	1946186020	QIILFWARWYCBDW-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC(CC)(CC)CC	1947468337	YRUNYJCXSIJFFI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
Clc1cccc2cc(C[C@@H]3C=CCCC3)oc12	1947560568	ATOUTIIDUUIROS-LLVKDONJSA-N	246.737	4.985	0	10	BJAE	
CCCCC[C@@]1(CNCCC)CC12CCCC2	1948082163	UJAKWVUQTJSYPB-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CCc1cccc(N[C@H](C)[C@H](C)CC(C)C)c1	1948324337	YLKUYISYVNJWTM-ZIAGYGMSSA-N	233.399	4.732	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(N)[C@@H](C)CC(C)C	1948324485	ADUDBAMCLLTGGP-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CN[C@H](C)[C@@H](C)CC(C)C)CCC1	1948325963	GAWYBTAAOBATOS-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H]1CC[C@H](C(C)C)CC1	1948428361	LSVGIWJLELCHFT-BZUAXINKSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@H]1CCC[C@H](CC)C1	1948865075	SHNWZYQNCDJBBR-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CCC(C)(C)C1CC1	1949033718	LHPKDPUSWIVYIG-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCCC12CCCC2	1949046162	BKLNIXRNLWSSJH-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)C=CCCC1(C)C	1949679876	POSFEPYCUTUHIF-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@@](CO)(CC2(C)CCCC2)CC1	1950907703	GXQQOMQWARCTMO-ZBFHGGJFSA-N	238.415	4.536	0	10	BJAE	
CC(C)CCCNC[C@H]1CCCC(C)(C)CC1	1950920555	WNSGDSZYWJTESK-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H]1CCCC(C)(C)C1	1968269604	COJDUVRCBLRNNL-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
CC(C)CCN(CCC(C)C)CC1CCCC1	1968282958	RIZCWDUQLPLXBR-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC1CCC(COc2ccc(C)c(C)c2)CC1	1968307541	LLGNICPNMXRMEF-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
CC[C@@H](Nc1ccc(C)c(F)c1)C1CCCCC1	1968318634	LNEYYEIKPCPOOT-MRXNPFEDSA-N	249.373	4.905	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1cc(C(F)F)cs1	1983699652	UKNBTCGOWORCCR-WCBMZHEXSA-N	247.354	4.512	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CC[C@@H](C)CCC1=O	1984462980	VGVYJZWULLRTOB-TZMCWYRMSA-N	222.372	4.518	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C(C)(C)CCC	1984639075	HOZSPANNBSBEJA-MRZGDXHCSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)C(C)(C)CC	1989855208	KSCPWZJHKGLJMC-UKRRQHHQSA-N	227.436	4.747	0	10	BJAE	
CCCCC[C@](O)(CC)CCCC(C)(C)C	1990091060	JQLKCTBALUGVJL-OAHLLOKOSA-N	228.420	4.924	0	10	BJAE	
CCCCC[C@@](N)(CC)C1=CCCCCC1	1990094311	UVNZDIGUKLJLSJ-HNNXBMFYSA-N	223.404	4.565	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)c1ccsc1	1990099157	TZHHSWOSBFVZNZ-TZMCWYRMSA-N	239.428	4.758	0	10	BJAE	
CCC[C@H](C)CNc1cc(Cl)c(F)cc1C	1995048017	MGQCJFIJYCVWSU-VIFPVBQESA-N	243.753	4.636	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C)C1CCC(C)CC1	1996560597	FVZAWJMYWQIXPH-OGVSOVDVSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)CC1(O)CC(C)(C)C(C)(C)C1	1997809865	REPSGBNSXDOZKE-CYBMUJFWSA-N	240.431	4.636	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC1CC(C(C)(C)C)C1	1998236339	IAKFJSKXFANCRD-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC2(CCC2)C1)c1ccsc1	1998692365	BXZXVFUCMJCZMP-ZIAGYGMSSA-N	249.423	4.512	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2000051495	OKAQWWZJZHBWRU-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1C(C)=CCC[C@H]1C	2000345409	ZLJZWALIYDKXMP-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)C1(C)CCCCCC1	2000373156	PRFKEIWGTLSJER-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CCC=C(C)C)CNCC(C)C	2000516738	YIVOBTSJLLMOMA-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CCC[C@](C)(CCC(C)=C(C)C)CNC1CC1	2000518873	TYSYESMGOSPVPZ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCN(CCCC)CCCCCC1CC1	2000900138	KPWWVTQVGUOCPL-UHFFFAOYSA-N	239.447	4.859	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@@H]1CC12CCCCC2	2001262532	AAMRDDILFPYERX-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCSc1cccc(NCC2(C)CC=CC2)c1	2001693854	LIFOYUNSQMTSBN-UHFFFAOYSA-N	247.407	4.567	0	10	BJAE	
C[C@@H](NC1CCCCCCCC1)C1(C)CCC1	2004840407	OZVVYCCGOGHTHM-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](NCC)[C@@H]1CCCCC12CCC2	2005603777	HVLWWCJLDGBIPP-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@H](C)CCC)CC[C@H]1C	2006956576	HYTDUZAYDULMKB-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C=C(C)C)C1(C)CCC(C)(C)CC1	2007698144	RUCIVSMAGKGMBG-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@](O)(C=C2CCCCC2)CC1	2007926331	NOWFRGCBBGAOPH-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCCCCN(C)Cc1ccc2sccc2c1	2008083239	CPIDPJOHURUTPD-UHFFFAOYSA-N	247.407	4.523	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@H]1CCCC(C)C	2009408677	VVMCPGXJORPPGX-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@@H](CCC2(C)CC2)NCC)CCC1	2009533302	BNROBDVHTFLQGO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCC1(C)CC1)CC1CCCCCC1	2009543277	DYAOQUKSTAVYDB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCC1CC(NCCC2(C)CCCC2)C1	2009714918	WZJOEEIFLKHODW-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)C(C)(CC)CC	2010624772	LTNKZJWUVBPVDK-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@](C)(O)CC1=CC[C@H](C(C)(C)C)CC1	2010714783	RSUOCTCKYNWTDN-GOEBONIOSA-N	238.415	4.556	0	10	BJAE	
CCCCCC[C@H](C)NCC[C@]12CCC[C@@H]1C2	2010996381	ZIHKRGIQFDNAHL-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(=O)C[C@@]12CCC[C@H]1C2)CC(C)(C)C	2011007701	KBHYMJCHIPVBJF-WWGRRREGSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@@H]1CCCC[C@H]1C	2011182693	FZUBNXNEJHTVHK-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCCSc1ccccc1NCC(C)=C(C)C	2017469009	PDAKUDFZZLYGGL-UHFFFAOYSA-N	249.423	4.957	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C1=CC[C@@H](C(C)C)CC1	2017715801	KIBZOTZZFWGBFW-CJNGLKHVSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@@H]2CC)CC1	2017722493	QCJXKLCZQWPFLJ-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC[C@H]1C1CC1	2018132655	VFGYNFVCNXFMHH-JYJNAYRXSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C(=O)C[C@]23CCCC[C@H]2C3)c(C)s1	2018627482	BERKPESZAXSSEK-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
CCC1(C[C@@]2(O)CCC[C@@H](CC(C)C)C2)CC1	2018968307	SMLHWSJAYQJPGI-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCN(C)[C@H](C)C1CC(C)C1	2019345163	YGIKYWXWAALMJI-HWOWSKLDSA-N	239.447	4.569	0	10	BJAE	
CCCCCC1CC(O)(C[C@@H](C)C2CCC2)C1	2019782324	WMQJAZMTKBIHQQ-VQCLRJIVSA-N	238.415	4.534	0	10	BJAE	
CC=C(CC)[C@@H](NCC)C1(C)CCCCCC1	2020971788	NZODCDGZUUVOPI-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccccc2C2CC2)C1	2021025822	CTAJUHOEPAYEHW-OCCSQVGLSA-N	229.367	4.555	0	10	BJAE	
Cc1cc(N[C@H]2CCC3(CC3)C2)cc(C)c1Cl	2021770865	JDRXADYULGERGR-LBPRGKRZSA-N	249.785	4.701	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@H]1C[C@H]1C(C)(C)C	2022565245	KEYYOMRJWSQTGL-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CCCCC(C)(F)F	2023301139	DDGDFJNDRJFSKG-OCCSQVGLSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H](C)CC(C)C	2023340843	XQTBNHBKVLWKPL-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H]1CCC[C@H]1C	2026167616	SOMHMVOWOWDFJB-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CC1CCC(c2nc(CC3(C)CC3)cs2)CC1	2026544612	ODCANCXVJLJNIG-UHFFFAOYSA-N	249.423	4.779	0	10	BJAE	
CCC(C)(CC)CNCCC=Cc1ccccc1	2028358019	FLENZTBEFVKXMF-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1ccc(C(C)C)cc1	2029839291	YOYJGUINPDLEOR-WMLDXEAASA-N	248.410	4.916	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@]12CCCC[C@@H]1CCC2	2031760507	MBIZHCVERSDEFT-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CCNC1CCC2(CCCC2)CC1)C1CC1	2032222079	DDPSDUMMTTUIEN-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C2(N)CCC3(CCC3)CC2)C[C@@H](C)C1	2032253578	WBEAVRIZINSQAY-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC(C)(C)C1CCCCC1)c1ccccc1	2033149097	FRKCMWKPKNDTEU-CQSZACIVSA-N	245.410	4.696	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H]2CC[C@@H](C)C2)cc1	2033399250	AJNNCPYBRFPUMA-CJNGLKHVSA-N	244.378	4.648	0	10	BJAE	
N[C@@]1(CCC2CCCCC2)C[C@@H]2CCCC[C@@H]2C1	2034155554	DWHRBAGQKOTWBI-BJWYYQGGSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(N[C@@H]2CC[C@H](C)[C@H]2C(C)C)c1	2035408050	IXPCBMIWJVYONX-IAOVAPTHSA-N	245.410	4.732	0	10	BJAE	
C[C@@H]1C[C@@H]1c1ccc([C@@H](N)CCCC(C)(C)C)o1	2037106123	ZEHVNMCVMBZWPQ-AGIUHOORSA-N	249.398	4.619	0	10	BJAE	
CC1CCC2(CC1)CC(N)(C[C@H]1CCC[C@@H]1C)C2	2038932740	HSCNQJOJYLDDAU-CHTYNLMKSA-N	249.442	4.501	0	10	BJAE	
CC1CCC2(CC1)CC(N)(C[C@H]1CCC[C@H]1C)C2	2038932741	HSCNQJOJYLDDAU-FVROTGDOSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)C[C@H]1CCC[C@@H](C)C1	2039440567	GJUUNWVDQDKRCT-UVLCOCDESA-N	249.442	4.523	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)c1ccccc1CC	2040725254	DORLQIJJIAHOIU-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCCNC[C@]1([C@H]2CCC[C@H](C)C2)CC=CCC1	2042090671	DJVMKMQHDFZWDJ-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)[C@@H]1[C@@H](C)[C@H]1C	2043291229	ABJGVTIAZAJKEG-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@H]1N[C@@H](C)c1ccc(C(C)C)cc1	2043678122	ZBTNFYIWZBUNRV-VBQJREDUSA-N	245.410	4.649	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)C[C@@H](C)C1CC1	2045330368	VPIBQDMSOLWTNT-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](CN)[C@H](C[C@H]2CCC=CCCC2)C1	2045330469	WOQNPKGHVIWZII-TWMKSMIVSA-N	249.442	4.524	0	10	BJAE	
CC1(C)CCC[C@H](C(N)(C2CCC2)C2CCC2)C1	2045401738	TUULESSCCXALRL-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCCCC1CCC(C(=O)[C@H]2C[C@@H]3C[C@@H]3C2)CC1	2045449748	CJNHVEJWQRBALC-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@@H](NCC)c2ccccc2C)CCC1	2045800789	YTTPKIRQLATHHK-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)C[C@H]1CC12CCCCC2	2047013148	SZBSDRJMJJUVIA-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CC[C@](N)(C[C@H]1CC12CCCCC2)C1CCCC1	2047058653	KWVCDPLZDYRSCT-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2049193201	AOELQXLNJDYXFL-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(N)(C2[C@H]3CCCCC[C@H]23)CC1	2049211449	KVZSRPIYFCKJCD-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](CC(=O)c2cccc(C)c2)C1	2050455363	DSWWQTWCQBVZAU-GJZGRUSLSA-N	244.378	4.784	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)c1ccccc1C	2050460047	DCPKJMVCRLQSRC-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CC1([C@@H](N)[C@H]2C[C@H]3CC[C@H]2C3)CCCCCCC1	2052474889	FOPSMHDWKWOHDW-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@H]2CCCCC23CC3)C1	2053433222	DRJZKOJTLCHGGQ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc([C@H]2CC(=O)C[C@@H](CC)C2)cc1	2055135332	APSBZEVQGGYYDO-XJKSGUPXSA-N	244.378	4.502	0	10	BJAE	
CC[C@H](N[C@@H]1C=C(C)CCC1)c1cccc(C)c1	2055552523	PTDHFVXMZRGAHK-IRXDYDNUSA-N	243.394	4.535	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1C[C@H]2CCCC[C@@H]21	2059225641	PDQYPILKUBWQFQ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1cc(C)ccc1F	2059249704	JZXOMQIGJWTGHD-MQDFFIGUSA-N	249.373	4.531	0	10	BJAE	
C[C@H]1CC=C(C2(N)CCC3(CCCC3)CC2)CC1	2060913774	NFMRPQBXTSYUKR-AWEZNQCLSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCCC3(CCC3)C2)CC1	2061110738	KSFLJLODKYSTCZ-PBHICJAKSA-N	247.426	4.565	0	10	BJAE	
Cc1ccccc1C(=O)CCC[C@@]12CCC[C@@H]1C2	2061595987	JPEDUGKEONMOPU-RHSMWYFYSA-N	242.362	4.538	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)C[C@]12CCC[C@@H]1C2	2061611097	DUOVDGVIPHZHTD-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]([C@]2(N)CCCCCC23CC3)CC[C@H]1C	2062018732	FUXXKQCWNLAWLQ-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C12CCCC1CCC2	2063831204	TWVJKMFFCHNTBY-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
CC1(CNC23CCC(CC2)CC3)CCCCCC1	2065262601	MSOOACXZOLXAOB-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC23CCC(CC2)C3)CC1	2065276302	CCXNFIPFZPTGDC-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H]1CCCC[C@H](CC23CCC(CC2)C3)C1	2065340135	SGZAYOUGLZOYSN-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C1(CC(C)C)CC1	2069521296	JTILITVYIULODE-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCCC[C@H]2C2CC2)CCC1	2071954776	YESYSNJAPYBBJG-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CNC23CCCC2CCC3)CC1	2072793206	ICGXMIBPXUWJKZ-OJHJNGDYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1(CC)CC1)c1cccc(C)c1	2074629484	PGSGCZNLXDRIHW-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCN(c1cccc(C)c1)[C@@H]1CC[C@@H](C)[C@H](C)C1	2074802382	OEQFERJCTLRLIQ-BFYDXBDKSA-N	245.410	4.646	0	10	BJAE	
CCCN(CC[C@]12CCC[C@H]1C2)C1CCCCC1	2076589788	PDHWIWCYFAPZJK-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@H]1C[C@@H]1C1CCCCC1	2079491345	IQGMBDMXKJVUPV-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H]2C[C@H]2CCC)cc1	2079491594	KIRORZXXUSIZFA-HZPDHXFCSA-N	244.378	4.648	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@H]1C[C@H]1C(C)C	2079561599	HWEJPSSRTDBUND-XOKHGSTOSA-N	246.394	4.526	0	10	BJAE	
CCc1ccccc1[C@@](C)(O)C[C@@H](C)C(C)(C)C	2081209959	VKUJZOKJUKLZIG-DYVFJYSZSA-N	248.410	4.529	0	10	BJAE	
CC1(C)CC(C[C@H](N)C2CC=CC2)CC(C)(C)C1	2082976318	PVMMFQNYENQHLO-HNNXBMFYSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)C2(CC3CC3)CC2)C1	2082986194	LGODWFCWHGCVQB-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@](O)(CC)c1sc(C)cc1C	2210569659	LIGVNACKNYTKRI-AWEZNQCLSA-N	240.412	4.543	0	10	BJAE	
CC(C)(CCC=Cc1ccccc1)C(F)F	2210661516	AIYORLBHFDRPSG-UHFFFAOYSA-N	224.294	4.771	0	10	BJAE	
CCCCCC[C@@H](CN[C@H](C)CC)C(C)C	2212583805	JHJDYRJEQDABDO-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
O=C(CC1C[C@H]2CCC[C@H](C1)C2)c1cccs1	2213280992	TYEGOSXOTHPYCL-RYUDHWBXSA-N	248.391	4.537	0	10	BJAE	
O[C@@H](CCCCCCC1CC1)CCC1CCC1	2213575012	AOGPNOFZRZJTPJ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CN[C@@H]1CCCC[C@@H]1CCCCCCC1CC1	2213577070	XQOOECBCXYAQFC-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)CCCCC1CC1	2214566314	VKGCMACGKUHPCX-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](CCCCC1CC1)NC	2214572298	CBROVIXGZSBUIK-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@](O)(CC)C1CCCCC1	2215236914	MJOFEDXLHGSPRD-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CC1(C)CC(C)(C)C1	2215382367	FDUPKQCDMPBPQV-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)CC1(C)CC(C)(C)C1	2215385139	NBCDFKYGTIUCMW-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2(C)CCCCC2)C1	2215435489	XNSOORPQUPTLRM-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2CCC[C@H]2C)CC1	2215824549	UKCKSGSHDQAMQK-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216256796	JFLQVJWIJLMCIZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@]1(CN[C@@H](C)CC)CC=CCC1	2217152141	BLZMWVPXIDNWQD-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](N[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218331541	FLELFFMYDRFALT-FSDCSDTHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1(C)CC2(CCC2)C1)C1CCC(N)CC1	2221031864	HDEGQHIDDIDTDZ-NFOMZHRRSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CNCCC2CCCCC2)CC1	2221644011	QMKVCDBGHIEUDU-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1=CC[C@](CN)(CC2CCC(C)(C)CC2)CC1	2221656560	ZRNKDAVRWOBJNV-QGZVFWFLSA-N	249.442	4.668	0	10	BJAE	
Cc1cc(C)c([C@](C)(O)CCC(C)(C)C)c(C)c1	2221998847	GGMWXUTYNUNPND-QGZVFWFLSA-N	248.410	4.646	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1c(C)cccc1C	2222003429	AEMFWUHHKGYMSH-CZUORRHYSA-N	248.410	4.943	0	10	BJAE	
CC[C@H](C)NCC1([C@@H]2CCC(C)(C)C2)CC=CC1	2223554551	YMJBBSSLQVFCCI-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@]1(CCC1CCCCC1)CNC1CCC1	2223607593	YEZRXTAGFJDTEF-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)CNCC[C@H]1CCC[C@H](C)C1	2246686769	JBPIAOOFVNMWIV-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](CN)CCC[C@H]1CCC[C@H](C)C1	2246690156	ZTRCOIXMSCWDLO-ARFHVFGLSA-N	239.447	4.604	0	10	BJAE	
C[C@H]([C@H](O)CC[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2246691441	IBTKLGXRBSPXMM-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@@H]1CCC(=O)CC1CCCCC1	2247447024	XPBYGCHOEBRKNY-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC1(C(=O)CCCCC[C@H]2C[C@@H]2C)CCC1	2248866015	MUUFQWYETZLBMH-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCN[C@H](CCCCCCC2CC2)C1	2249130499	XGCZAYQLCAZYFY-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@@H]1CCC[C@H](C)C1	2250351648	FJBXQWWTZMGVOA-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CNC[C@]1(C)CC=C(C)CC1	2250383728	KSNRIUHGTZTTGL-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](CC)C1CCCCC1	2250390643	SOXDMNAUKCBTKO-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)[C@H]1CC[C@@H]1C	2250478770	MAAHUHHVADUBRC-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CC(C)=CCCNCC[C@H](C)CCCC(C)C	2250528144	LZINOETXHUSEOB-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CC(C)CCCC(=O)C[C@@]12CCCC[C@@H]1CC2	2251163466	QPJKKGSDTZNAKY-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
Nc1ccccc1C=CC[C@H]1CCCCC12CC2	2253808906	PQABZPJIUIXWEL-OAHLLOKOSA-N	241.378	4.643	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](N)CC[C@H]1CCCCC12CC2	2253843771	MNLZAOJCVXCSRV-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N1CC[C@H]1CCCCC12CC2	2253862802	JWAJZWVJDQXMAO-ARFHVFGLSA-N	249.442	4.610	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@@H](C)C1)[C@@]1(C)C=CCC1	2253937084	UYOWHTBDFLRSJT-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)cc(NCC2CC3(CCCC3)C2)c1	2254082962	AEKQSINPGFNLDO-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
Cc1ccc([C@H](O)CCCC[C@@H]2C[C@H]2C)c(C)c1	2254582011	HIRQQASSMHTRAY-FRFSOERESA-N	246.394	4.553	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@H]2C[C@H]2C)cc1F	2254605128	BBRXUDQUOATPSZ-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
CCCN(CC1=CCCCC1)C1CCCCCC1	2255136423	LPOYUCHDHFKPBI-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@@H]2CCCC23CC3)C1	2255327204	QCVIXACNHOSSHD-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
Cc1cc(F)cc(NCC[C@@H]2CCCC23CC3)c1	2255330963	MAICFIJKJLVGMF-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CCCc1ccc([C@H](N)CCCC(C)(C)C)cc1	2256293671	HLUNTFXBXRYKGW-MRXNPFEDSA-N	247.426	4.855	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](CC)CC1)[C@H]1CC1(C)C	2257081359	LMNLOGYPYGADKC-BMFZPTHFSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNC1(C2CCC2)CCC1	2257343002	VAAGFEMFWVPEQX-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)c1c(C)cc(C)cc1C	2259443962	NQOVEONLHUCQGI-NVXWUHKLSA-N	247.426	4.699	0	10	BJAE	
CC1(C)CCC(NC[C@@]23CCCC[C@@H]2CC3)CC1	2260552839	YANDKTSDEGJSDO-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@@H](C)CC2CC2)CC1	2298861854	OYKNNKXEUKTHPX-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCC(C)(C)[C@@H]1NC	2300684859	YQIURRXKKLXVRE-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@H](NC)C(C)(C)C1CCCC1	2300877667	SYQGRHACODMIRD-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)[C@H]1CCCCC1(C)C	2301838785	FXSQNEYMXXJADB-BFHYXJOUSA-N	238.415	4.700	0	10	BJAE	
CCC1CCC(C[C@@](C)(N)[C@@H](C)C(C)C)CC1	2301936398	VROUMBKLDFGIDE-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC(CC[C@@H]2CCCC[C@H]2N)CC1	2302506918	KWVYVNPTNMCROE-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CCC(C)=C(C)C1	2303469665	HAAMMZUUFDUTQX-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@H]1CC[C@H]1C(C)(C)C	2303472123	ORIGAYVLFDUKRG-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@@H](CC2(O)CCCCCC2)CC1	2303532383	OYSAUPHGZPQUAY-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@]1(CO)CCC(C)=C(C)C1	2303585051	VODGQIINHGMONX-MRXNPFEDSA-N	238.415	4.702	0	10	BJAE	
CC1(CCC[C@@]2(N)C[C@@H]3CCCC[C@]3(C)C2)CC1	2308413685	KTKWCPRJOMNBHS-USXIJHARSA-N	249.442	4.645	0	10	BJAE	
CCC1(CC)CCC(N)([C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309488474	YMACKGXKJXUITM-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC[C@H]1CCC[C@@H]2C[C@H]12	2310849223	YEGHXDYNETZQET-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](N[C@@H]1C[C@H]1C1CCCCC1)C1CCC1	2311538013	PBABQHUUMDWSTB-GVDBMIGSSA-N	249.442	4.514	0	10	BJAE	
N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2CCCCCCCC1CC1	2312598660	BZBIVKGYZIHTKM-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312958389	QGFGDCQVRWVOHL-QRJUGERDSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(C[C@@]23CCC[C@@H]2CC3)C1	2313343540	FVBRMZFWFLIHHC-HDEZJCGLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCN1)C[C@@]12CCCC[C@@H]1CC2	2313344380	RKHOHUTWTGFBOU-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC1CC1)c1ccccc1	2313605512	HENAWIJENNLKFK-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
CN(CC1CCCCCC1)[C@@H]1CCC2(CCC2)C1	2316869012	CRQMRHGSCHWZJW-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@H]1CCCC12CC2	2316885760	NVBUADBCJKPITO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](NCCCC2=CCCCC2)[C@@H]1C	2318530610	CENCXWYVETXHBR-INMHGKMJSA-N	249.442	4.681	0	10	BJAE	
NC1(CCCC2=CCCCC2)CC(C2CCC2)C1	2318573175	OKZQQSNGEHRSCB-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@H]1CCC(C)(C)C1	2319289636	WARYLWZMPALNBT-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CCCC[C@H]2C[C@@H]21	2319445733	HWSLLZSRUDMLEY-ULQDDVLXSA-N	247.426	4.565	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1CC[C@H]1C1CC1	2319491668	DTNNQPUERPQSNW-RDJZCZTQSA-N	246.394	4.662	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)C[C@H](C)C1CC1	2320400373	YRGUVIYPTJRJIB-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H](C)[C@H](C)C(C)C)c1	2320570587	OLLQTRXUXDERQC-KGLIPLIRSA-N	246.394	4.921	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1cccc(C2CCC2)c1	2320650610	UEJUHHXNJTURRS-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@]2(C)CC2(C)C)c1	2327678319	SYKACYODKSXRJU-RDJZCZTQSA-N	246.394	4.588	0	10	BJAE	
CCC[C@@H](CC)CN(C)C[C@@H](C)c1ccccc1	2328082378	BLSZRBMINCKYII-HZPDHXFCSA-N	247.426	4.548	0	10	BJAE	
CCCc1ccccc1[C@H](O)C[C@H](CC)CCC	2328273132	IBAFVJMPTIVOEY-RHSMWYFYSA-N	248.410	4.889	0	10	BJAE	
CC(C)c1ccc(C(=O)CC2CCCCC2)cc1	36819444	XHOHDBGOKPXPGL-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
Cc1ccc(N[C@@H](c2ccccc2)C(C)C)cc1	37215913	KFKYPOOJUCAODE-QGZVFWFLSA-N	239.362	4.804	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@@H](C)c1cccc(C)c1	37294649	YLLFMNIPIBGBGI-YQQAZPJKSA-N	245.410	4.614	0	10	BJAE	
CCCCC(CC)(CCCC)CNCCC	71127962	MMRDIEGIPIQPLA-UHFFFAOYSA-N	227.436	4.763	0	10	BJAE	
CCCCN[C@H](C)Cc1ccc([C@@H](C)CC)cc1	71444640	GPLHLMLGNRFNCT-LSDHHAIUSA-N	247.426	4.521	0	10	BJAE	
CCCCCCn1ccc2cc(Cl)ccc21	75233808	AAOMCHBZHWAGOY-UHFFFAOYSA-N	235.758	4.875	0	10	BJAE	
C[C@@H](c1ccccc1)c1nc(C(C)(C)C)cs1	75842055	WSANRMYZRZPVIA-NSHDSACASA-N	245.391	4.592	0	10	BJAE	
Cc1ccc(-c2ccc(C=O)cc2)c2ccccc12	83770705	KPUQPHVPOHHPEW-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CSc1ccc(N[C@@H]2CC[C@H](C)C[C@H]2C)cc1	85084087	CEVCLCOFCBNBCA-YWPYICTPSA-N	249.423	4.645	0	10	BJAE	
Cc1cc(C)c(C(=O)C2CCC(C)CC2)cc1C	86494064	GRIKEIPKSCEXGH-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
C[C@H]1CCC[C@H](N[C@@H](C)C2CCCCC2)CC1	86889877	HTLVSKJPKOQODG-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@@H](CNC(C)(C)C)c1ccccc1	88099030	BVCNPORABSGSOH-INIZCTEOSA-N	247.426	4.595	0	10	BJAE	
CCCCCC[C@H](O)c1ccccc1C1CC1	94528530	BVIFMZSWGUCTRR-INIZCTEOSA-N	232.367	4.568	0	10	BJAE	
CCC(=O)CC[C@H](CC)c1c(C)cc(C)cc1C	107532389	JOFFPLDXYQLBES-HNNXBMFYSA-N	246.394	4.865	0	10	BJAE	
CCCC[C@@H](C[C@H](C)CC(C)(C)C)NCC	124699941	APTZQZMWUYDJNI-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C=CCCCCCC(=O)CC(CC)CC	141295407	PSZMZOGXAOSDOT-UHFFFAOYSA-N	210.361	4.518	0	10	BJAE	
CC(C)CCC[C@]1(N)C[C@H](C)CC[C@H]1C(C)C	165668511	SPDKRQIZRCJYGU-PMPSAXMXSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CCC1CCCC1	167169545	WYRLRTRNYNCDNL-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)c1ccc(/C=C\c2ccncc2)cc1	215769590	RMVALFYPANKGJN-PLNGDYQASA-N	237.346	4.550	0	10	BJAE	
CSc1cccc(N[C@H]2CCC[C@H](C)[C@@H]2C)c1	221607008	ZJFNQKYVMCSBAC-HUBLWGQQSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H](C(C)C)CC1)C(C)C	226537215	LREZCMCZZJVKED-OAGGEKHMSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](c1ccoc1)[C@@H]1CCCCC1(C)C	226833430	QIZCBSWYHMHQPG-GJZGRUSLSA-N	249.398	4.537	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)c2ccc([C@@H](C)CC)cc21	228120485	ZAVCXGLJSATEFO-OGHNNQOOSA-N	245.410	4.748	0	10	BJAE	
C[C@H](N[C@H]1CCC12CCCCC2)c1ccsc1	230169921	PYOWUWLRDPGMFP-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
CCCCCC(C)(C)CNC1CC(C(C)C)C1	232912604	XTDSCSRRFFVRAU-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](CCC)CC[C@H]1NC	250815751	JBJZJIAAFCNMLL-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@]1(C[C@H]2C[C@H]3CC[C@H]2C3)CCCCCN1	251200750	VFXBTEPSARISHO-NXOAAHMSSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)CCO/C=C1/CC=CCC1	256416732	HLOZLHYGUPOUHI-IADCZWJFSA-N	236.399	4.945	0	10	BJAE	
CC(C)(C)CCCNc1ccccc1Cl	300844134	KIUANKLFFFBOJT-UHFFFAOYSA-N	225.763	4.578	0	10	BJAE	
CC1(C)C(C(=O)CCC2CCCCC2)C1(C)C	304126617	MSAMKMHHPJDIAR-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Clc1cccc(O[C@@H]2/C=C/CCCCC2)c1	304159098	AVIJSCRHQCLXQB-FLUIGGAXSA-N	236.742	4.608	0	10	BJAE	
CSc1c(S)cc(Cl)c2ccsc12	306596448	YSZWAQXJJHCEHP-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)[C@H](CCC)CC(C)C	308051386	MDRNVDZPWKPLKN-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)CCCNc1ccc(C(C)(C)C)cn1	313480769	KTKHFJAOJGMQBA-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)CC)CCC[C@@H](C)C1	317560537	MAEIZAPLHRPHGZ-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC([C@](C)(CC)CNC(C)C)CC1	317742681	NSHAYCXTCRNHQC-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(C)(C)CNC(C)(C)C	318647226	AMEGPKICWXSDSC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@](CCC2CCCC2)(CNC2CC2)C1	318848815	CGMAVNDMIMYTRC-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CCC(N)([C@@H](C)[C@@H](C)CC)CC1	320297839	DLMDDDHTEUEIMY-FXQLRMTLSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)c1csc(C)c1	381105512	BDUKUWBUDCLGOR-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC[C@@H](C)C[C@H]1C	383213327	CNWXSADBTLRUKY-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1cc2ccccc2o1	384547923	HVQXGKPCSQIPSY-ZDUSSCGKSA-N	245.366	4.649	0	10	BJAE	
CC/C=C\CN[C@H](C)c1ccc(CC(C)C)cc1	384958642	HBQDVXUIWLFDFI-IDTUSYRASA-N	245.410	4.502	0	10	BJAE	
CCC1CCC(CN[C@H](C)CC(C)(C)C)CC1	385135562	LJQJGEBRLAOLEZ-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(F)cc(C(=O)C[C@@H]2CCC[C@H](C)C2)c1	385199753	SFYQHDBPIIHBRM-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CC(C)c1ccccc1C(=O)CC1CCCCC1	386358923	QAJCZTKMPQHGKY-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cscc2C)cc1C	387354735	SSRMDSCAOUNPJE-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CCOc1cccc2c1ccn2C1CCCCC1	393856129	TZTUQOCLLHGSCW-UHFFFAOYSA-N	243.350	4.545	0	10	BJAE	
CCCOc1cc(C)ccc1NCC[C@@H](C)CC	394414412	SIUZUEMTARBRCA-ZDUSSCGKSA-N	249.398	4.632	0	10	BJAE	
CCc1cc2sccc2c(CC)c1SC	396176554	FYOZHLYIWVRACH-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCOc1csc2cc(CC)cc(Cl)c12	396188880	LIEXHBQRFRHSHT-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)c1ccc(C)c(C)c1	401538994	ZPFFJTBDTNLTGD-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1ccc(C)cc1	401797220	IYQAWSNNNUKEQW-HUUCEWRRSA-N	231.383	4.623	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)C[C@H](C)CC(C)(C)C1	688446562	BMPKAESIKBONEP-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1cccc([C@@]2(O)CCCCC2(C)C)c1	688936611	BSYPVHSYRPEAIQ-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@H]1CCCCC[C@H]1C	691143293	YLVDEHMULLJHFK-INMHGKMJSA-N	245.410	4.614	0	10	BJAE	
CC(C)=CCC[C@H]1CCCCC[C@H]1CNC1CC1	697773478	GOESWWUHTVEVNT-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@H]2C[C@@H]2C(C)(C)C)c1	700010250	DACAEXLVHWFHBX-PMPSAXMXSA-N	246.394	4.526	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)C(C)(C)C	701518027	PVRXOQYRRPACBX-HNNXBMFYSA-N	233.399	4.507	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@]1(C)C[C@H]1C	704359277	MSZCWRWMPOLHQH-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@@]1(N)CCCC12CCCCC2	704433647	AGXZTQXXXJWYCF-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@@H](C)CC(C)(C)C)cc1	704736502	PCKFIMZOMYQFIZ-BBRMVZONSA-N	247.426	4.711	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1CCCC[C@H]1C	704962611	QKALNLRZPKWNFK-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1CCC[C@H](C)C1	704980148	SSYHPIYHOHDRKG-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc([C@@](C)(O)C[C@@H](C)C(C)(C)C)cc1C	710799272	LVFCVXKRRUTBNO-PBHICJAKSA-N	248.410	4.583	0	10	BJAE	
CC[C@@H](CC(=O)c1cc(C)c(C)o1)C(C)(C)C	711091895	CEIPIFRHZYFDKY-LBPRGKRZSA-N	236.355	4.542	0	10	BJAE	
CC(C)CNC[C@H](CC(C)(C)C(C)C)C(C)C	713218751	BAYZJXGEGGYREC-HNNXBMFYSA-N	241.463	4.577	0	10	BJAE	
CC/C=C/C[C@H](C)c1ccc(OC)c(Cl)c1	714532601	QGPNIDZZAOZSIS-QRGHLMKCSA-N	238.758	4.808	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1cc2ccccc2o1	718504394	DIRFDXSQCFFONF-CQSZACIVSA-N	243.350	4.569	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C1CC(C)C1	718563550	BSXOBNSJFXFPSD-AVVWSFFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)C[C@@H](C)c2ccccc21	718751385	ZIDDFWBTYRIYBJ-PBHICJAKSA-N	244.378	4.518	0	10	BJAE	
CCCc1cccc(CCC(C)=C(C)C)c1	718778211	SBRFLPKGKYGMJO-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
CC(C)c1cccc(NCC2CC(C)(C)C2)c1	723588306	OGWTVVGYUZKDCU-UHFFFAOYSA-N	231.383	4.658	0	10	BJAE	
CCc1ccc(-c2ccc(NC)cc2)cc1CC	723898411	QCPRIEWRHSKBQA-UHFFFAOYSA-N	239.362	4.520	0	10	BJAE	
CCCC1CCC(N(C)CCC=C(C)C)CC1	1559807362	ACEKMCXSJBFAFB-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CC[C@H](C)N(CC)Cc1cccc(C(C)(C)C)c1	1559991860	JAUUUPIXEZZXAQ-AWEZNQCLSA-N	247.426	4.605	0	10	BJAE	
Cc1ccc(-c2csc(SC(C)C)n2)cc1	1860795698	ARFJHEDALGISCB-UHFFFAOYSA-N	249.404	4.619	0	10	BJAE	
CCC(CC)N(CC)CCC=Cc1ccccc1	1877171531	HIWUDYKFFAAJRD-UHFFFAOYSA-N	245.410	4.600	0	10	BJAE	
CCC(CC)c1cc(C)c(Cl)cc1C	1889481064	NDEDSCMKRQAUFR-UHFFFAOYSA-N	210.748	4.860	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@H](C)CC(C)C	1900595363	XSNPOQREWOWLCU-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1(C)CCCCC1	1900703044	MHAKMFVMWFWWDI-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@@H]1CCC[C@@H]2C[C@H]12	1907735023	VIQNCKHJAAOKPP-SQWLQELKSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](C)C(C)=CC(CC)(CC)CC	1911645960	RVQYLEMKTZZORA-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC(C)(C)CCC1(CO)CC2(CCCCC2)C1	1912561206	BQHAGIIWALOQPY-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCCC[C@](O)(CC)C1CCC(CC)CC1	1919528037	XNOBYAOYQVLQEM-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@](O)(CC[C@@H]1CC1(C)C)C1CCCC1	1921552519	CZOWBDXRWIYTPZ-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@H]1CCNc1cccc2ccccc12	1921564067	QIOGNRQMKARACY-CQSZACIVSA-N	239.362	4.688	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H]1C=CCCCC1	1925919413	DNHDVQZYGKVHRV-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCCC(=C2CCC(C)(C)C[C@@H]2CN)C1	1927147778	QDQQGYXHAJREMT-UKRRQHHQSA-N	249.442	4.668	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(F)c1ccc(N)cc1	1940965788	KEFCRIHLFHEBFA-OAHLLOKOSA-N	237.362	4.670	0	10	BJAE	
CC(C)CC(N)(CCCC1CCC1)CC(C)C	1941463309	HTEGPJZRNRQWAF-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@](N)(CCCCCC2CC2)C1	1941591118	ILRSHNQKRJTPGP-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(C(=O)[C@]23CCCC[C@H]2CCC3)cs1	1944223944	VDSVEAFCNJYJRR-ZFWWWQNUSA-N	248.391	4.600	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)C(C)(C)C1CCCC1	1944639199	CDDRZRGUUCHDEG-HIFRSBDPSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CCC2=CCCCC2)C1	1945578304	FBLWGRSKUBBPPR-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)[C@H]1CCC1(C)C	1945753074	DICHSLIBOPJQKT-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCCC2(CCCC2)C1	1946454324	FQCXFVYBIVMYKI-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CCCC2(CCCC2)C1	1946455933	RFTFSMYAMJEXOJ-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
FCCCCCNC1CCCCCCCCC1	1947872205	SDLZGRXCCNRZMS-UHFFFAOYSA-N	243.410	4.609	0	10	BJAE	
CC[C@](N)(CCC=C(C)C)CC1CCCCC1	1949023010	RKPPPGHMYFUYNN-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cccc(C(C)C)c1	1950101115	URMIMXFNMSUITN-OAHLLOKOSA-N	231.383	4.801	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCCCC23CCC3)C[C@H]1C	1967700191	VLOLOAOBMWJNNL-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CC3(CCC3)C2)c(C)c1	1968254502	IMMRXCZXNCFCMS-AWEZNQCLSA-N	243.394	4.684	0	10	BJAE	
Cc1cc(NC[C@H]2CCCC3(CC3)C2)ccc1F	1968592105	RULMFESSHSYHLY-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CCSc1cccc(N[C@@H](C)CCC2CC2)c1	1969626759	QURXVFAXISGCSS-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CC1(CCNc2cccc(C3CCC3)c2)CC1	1971532898	ITTHUSVRRLBEQS-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc(CC)c(C)c1	1972025376	ZVRZKOVACGLSPQ-RDJZCZTQSA-N	245.410	4.938	0	10	BJAE	
CC(C)CCCC(=O)CC1CCC(C)CC1	1978428556	NCEXVJCYUJRRIM-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCC[C@H]1CCC(C)(C)CCC1=O	1984590539	CXIHDFZSKRRNLD-IHVVCDCBSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H](C)Cc1coc2c(C)cc(C)cc12	1995464702	VEVZZVCSPAOOOF-SNVBAGLBSA-N	216.324	4.638	0	10	BJAE	
CCCSc1ccccc1NC1CC(C)(C)C1	1996565091	XKSCKRUDSDTDSH-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H](C)C(C)(C)C)NCC	1996609818	AQNIMJOKOBDHTN-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](NC)C(C)(C)CC)CC1	1997104181	JCVHGXCWVMIEPB-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2CC=CC2)CC1	1997118050	VGUNUMYYRFABIW-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](c1cccs1)[C@]1(C)CC=CCC1	1997547370	WNLFGORECFQCOY-LSDHHAIUSA-N	249.423	4.535	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H]1C=CCCC1	1998376632	FBYUGCAJHYLEFF-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H](C)C1CC(C)(C)C1	1998647321	BGAPLGSYCZWFLI-STQMWFEESA-N	239.447	4.616	0	10	BJAE	
C[C@H](NC[C@H]1CCC=CCCC1)c1ccsc1	1999994997	AEIFDKIDBCMJDI-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
Cc1cc(C(=O)CC2CCC=CCC2)c(C)s1	2000168927	LNBUUAQIJDJOJU-UHFFFAOYSA-N	248.391	4.684	0	10	BJAE	
c1ccc(NC2CC3(CCCCCC3)C2)cc1	2000673442	VSOWMIJBBISFLV-UHFFFAOYSA-N	229.367	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C[C@@H]2CCC[C@@H]2C1	2000821143	SYMBZHCVKYWNMM-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC([C@H]2CCCCCCC2=O)C[C@H](C)C1	2003115711	CSQRAPZNAZDLPH-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@](C)(N)C1(C)CCC1)C1CCCCC1	2004818543	ZJKWLIWGGDDNHS-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H](O)[C@@H]1CCCCC12CCC2	2005600828	OQCKFJBQVKUYKT-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC)C[C@@H](CCC(C)C)C1	2006623892	MUVFIPFKEYZJTR-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)[C@@H]1CCC[C@@H]1C	2006779472	YJRVGRLXXUETLY-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](O)(CC1CC(C(C)C)C1)C(C)(C)C	2007752102	POLAIZOVVOGLBD-XUJLQICISA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@@H](C)CCC1=O	2009404325	MJFFQWOOXXOXAP-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@H](C)CCC1=O	2009404326	MJFFQWOOXXOXAP-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)CC[C@H]1C[C@@H](C)CC	2009410774	LPACXVFUEJADKL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCC(C)(C)CC[C@@H]1O	2009420887	RPYNVGDGHVFIRV-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CC=CCCCNC[C@H]1CCCC(C)(C)CC1	2009597648	GAMZKDQELYXJFT-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(O)C2(C)CCCC2)C1	2014327367	XVCJGXXRTSHTBV-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)C1(C)CCCC1	2014334003	GGPBHBUCNCURAX-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC(C(C)C)C(C)C)[C@@H](C)C(C)C	2015285260	UZTAYXHSJKXVCV-HOCLYGCPSA-N	241.463	4.575	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CCC(C(C)C)C(C)C	2015333705	CUFYPOBEGABTKZ-ZBFHGGJFSA-N	242.447	4.882	0	10	BJAE	
CC(C)NC[C@H](C)CCCC(C(C)C)C(C)C	2015345421	RPOYCNCUUXLLFT-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CC[C@](N)(CC(C(C)C)C(C)C)C1CCCC1	2015403313	ZHVYDTDDKDNROR-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C[C@H](C)C(C)C	2015407788	DKLZCKSPZNURKN-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)CNC[C@H](CC)C(C)C	2016107611	XMAHUYWQHPAQBA-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CC[C@H]1C1CCC1	2017044792	UGNSBIVVVXKXIR-KBPBESRZSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@@H](CC1(C(C)C)CCC1)[C@@H](C)CC	2017140992	LXMHBPPVTKIXML-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC(C)=C(C)C)CC1CCCCC1	2017473202	QOPKQZAYWWWEQJ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@H]2CC[C@H](C)CC2)C1	2017650221	DUONTFISFAJFDO-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@@](C)(N)C(C)(C)CC)CC1	2017796525	GJCNVJFOOYJFRM-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CCCC1(C[C@@H](O)[C@@H]2CCCCC2(C)C)CC1	2018969445	FTAZCYSRRUSHQY-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@]2(N)CCCCCC2(C)C)CC1	2018984111	DDXRGLGAKYQZNC-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCCCCN1[C@H](C)CC(C)C[C@H]1C	2019344422	MQHIKRUBJHCNCM-HZPDHXFCSA-N	239.447	4.712	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC1(CN)CCCCCCC1	2022499684	SETAIGJMMNRIRY-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1N(C)CCCC(C)(C)C	2022992164	LWFVIMCZMOOXED-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CCCCCC1CC1	2023318590	HXOGYLPHIZEKKS-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC1CCC([C@@H]2CC(C)(C)CCC2=O)CC1	2024122210	DEZWNOUXBZSCFN-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC=C(CC)[C@@H](CC1CC(CC)C1)NCCC	2025436074	QUUIICRTXAIGGW-ZBCRRDGASA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)[C@H](O)Cc1ccccc1C(C)C	2027460810	NZHUSMNHWLRZTM-WMLDXEAASA-N	248.410	4.540	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)CC[C@H]1CC1(C)C	2027817677	FRUSUJINLINCJI-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](O)CCCC1(C)CC1	2027854064	BGFOVPRPSDPILL-JKSUJKDBSA-N	246.394	4.512	0	10	BJAE	
CN[C@H](CC[C@H]1CC1(C)C)CC1CCC=CCC1	2028871356	ZPQXXASZSPTOTJ-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@@]1(CC2CCC=CCC2)CC[C@H](C)C1	2028874254	NUOAKJIGOGEIMQ-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H](NC)c1ccc(C2CCCC2)cc1	2031750228	PWUIXVPOTZTSKO-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C[C@@H]2CC2(C)C)cc1	2032421081	MJDUFKLKHVXNNK-SWLSCSKDSA-N	244.378	4.819	0	10	BJAE	
CCNCC(=C[C@H]1CCC[C@@H]1C)C1CCCCC1	2032672974	RMRJVCLNYDGXRG-GOEBONIOSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H]1CCC(C)(C)C1	2033392915	CLPCQCLSQXPHHS-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C1CCCCC(N[C@@H]2CCC[C@H]3C[C@@H]32)CCCC1	2035892378	RAOARTFZTYCKJC-BHYGNILZSA-N	249.442	4.658	0	10	BJAE	
CCC1CCC([C@H](N)[C@@H]2CC(C)=C[C@@H](C)C2)CC1	2037047449	CGEMRTWMMGHWTH-JJIHMEIPSA-N	249.442	4.523	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@@H]1CCCC[C@H]1C	2037167866	AZMZJDHGFDVIOF-XOSAIJSUSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@@H]2CCC3(CCCC3)C2)C1	2037673690	YOIFIYMTMYQKBI-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)[C@@H]1CC12CCCCC2	2039006477	QDIDUZTZWLIHDM-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1	2039376000	QGFGDCQVRWVOHL-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2CC3(CCC3)C2)CC1	2039379048	ZCAZGDZVMYUKEZ-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CCCC(C)(C)[C@H](O)CCC=Cc1ccccc1	2040726629	VUOSGJUBLJNUPU-MRXNPFEDSA-N	246.394	4.667	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)[C@H]1CC=CCC1	2042022097	OATRKBHVEXCKRK-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@@]1(C)CC=CCC1	2042074633	PLSHFQZWQXYGOK-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CCC)NC1C[C@H]2CC=CC[C@@H]2C1	2042344405	GKSABLVQXPLOGH-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)CC1=CCCCC1	2043188121	RCHSCMWOIBMNQS-UAGQMJEPSA-N	249.442	4.824	0	10	BJAE	
Cc1cccc(OC[C@H]2CCC=CCCC2)c1C	2045313569	AFLVJRCICNBGEO-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
C[C@H](C(=O)c1ccccc1)[C@@H]1CCCC(C)(C)C1	2045454408	ISOYGOPYFDFWNI-DZGCQCFKSA-N	244.378	4.722	0	10	BJAE	
CN(C1CCC2(CC1)CC2)[C@H]1CCCC(C)(C)C1	2045520569	HWCZBTRSRRFDAB-HNNXBMFYSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@H](N2CCCC3(CCCC3)C2)C1	2045527064	LUTCFKBUFAICQX-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1ccc(CC(C)C)cc1	2045585250	RMLIXRQUYAHAEU-KGLIPLIRSA-N	246.394	4.750	0	10	BJAE	
Cc1cc(F)cc(C(=O)C2(C)CCCCCC2)c1	2045595428	DZWKIAOPSBKBOR-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C1C[C@@H](C)C[C@H](C)C1	2045683041	UVHPPLLPLWHFKZ-LMRQPLJMSA-N	248.410	4.620	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CCC1	2047425521	VYNUHRAJOIZHNM-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@](N)([C@@H]2[C@H]3CCCCC[C@H]32)CC1	2049225300	NLMFNKXNYVHHFT-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1[C@H]2CCCCCCC[C@H]2C12CCCC2	2049673880	YTTBQDJUZMQVKL-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@@H](C)C1CCCCC1)c1ccco1	2050523681	WIGZCPOJHWGESO-UKRRQHHQSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H]1[C@H](CC=C(C)C)C[C@@H]2CCCC[C@H]21	2051401262	GZMDWAUQUVEPDC-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1C(=O)C1(C2CCC2)CC1	2051919083	VWRJXUTVHINQOM-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H]([C@@H]2CCC3(CCCC3)C2)C1	2055115082	VIVHEBHNIQYILU-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2(C3CC3)CCCC2)C1	2057598697	RENCAXDKFVKTJC-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@]12CC[C@](N)(CC3(C)CCCCC3)[C@@H]1C2	2058569511	KWUYXAVASKPHAO-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC1(C)CC1)[C@H]1CCCCC12CCC2	2059171579	IWSRNAPQJRXRTK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@]1(C2=CC[C@H](C(C)C)CC2)CCCN1	2061087393	FQZXGYNCIAPFDK-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)C2(C)CCCCCC2)CC1	2061088066	KHSDLHKGUBGTSS-GOEBONIOSA-N	249.442	4.811	0	10	BJAE	
CCC[C@](N)(C1=CC[C@@H](C(C)(C)C)CC1)C1CC1	2061114064	VESPVXFVQRXLAK-DYVFJYSZSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CC=C([C@]2(N)CCCC(C)(C)C2)CC1	2061121299	FGWIFUBHSUJOAH-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC([C@H](N)CC[C@]23CCC[C@H]2C3)CC1	2061573846	BDHAZDNXAJYALT-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CC(C(C)C)C(C)C)c1	2068837130	PVAYEOWMWUWIMH-KRWDZBQOSA-N	247.426	4.622	0	10	BJAE	
CCCC1(C[C@@H](O)[C@H](C)c2ccccc2)CCC1	2069339877	OJSCHWYFFLABLO-GDBMZVCRSA-N	246.394	4.512	0	10	BJAE	
CN[C@H](C1CCCCCC1)C1(CC2CC2)CCC1	2069515144	WQQBLQJDRZZPHV-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cc(C)c(O)cc1C	2070399150	PGSLDWWMHMTHTO-AWEZNQCLSA-N	247.382	4.556	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1(CC2CC2)CCC1	2070409987	WDRLTPCKUJJOAC-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(CC2(N)C[C@H]3CCC[C@@H]3C2)CCC1	2071941084	PQKZCTPTXUODOC-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1CC2(C1)CC21CC1	2072229427	WCHUJWLZRAWCDZ-GNHJJJEISA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CCC3CC2C3)CC1	2072796732	RJUZDKCJRZVWRV-HWBDBZLXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@]2(C)CC=CCC2)CC1	2072797123	WIGZEXXPBIOSHM-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc2c(c1)CCCC2	2072832406	IYHLIEAVPAORNA-CYBMUJFWSA-N	245.410	4.802	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@@]23CCC[C@@H]2C3)CC1	2072872604	DRSVDJGJQYNAIQ-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@](C)(NC[C@H]2CCCC3(CC3)C2)C1	2073063201	CUPIGFOKFOSRRK-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@]12CCCC[C@@H]1C2	2074027261	ZMJYARMQHRRNDR-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
N[C@H](C[C@@]12CCCC[C@H]1C2)C1CCCCCCC1	2074029598	OKIOWARBNRXSAU-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@]12CCCC[C@@H]1C2	2074031781	AOXBEOHYBWFPNS-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCCCC23CCC3)CC1	2074570206	AIPXUEJXQSQFJW-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CC[C@@H]1C1CCCCC1	2074898852	GKTKZPIQKJTTQD-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCCCC23CCCC3)C1	2074906909	UWSYOMBAXGWFDT-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CC23CCCCC3)C1=O	2076450054	KFERYIZZJCUOHE-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCCC1CCC(C[C@H]2C(=O)[C@H]3CC[C@H]2C3)CC1	2076515991	BOWLXTCBHDCUJA-SVXVCFNTSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CCC1)C1(C)CCC1	2077264148	LAEOIECBLHCNCY-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CC1CCC(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1	2079490745	DMTAJLQAEIPATE-UAOKOLBASA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1C(=O)C[C@@H]1C[C@H]1C(C)(C)C	2079851277	KHQIHJNDFDQXQW-DZGCQCFKSA-N	244.378	4.504	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@H]1C[C@H]1C(C)C	2079855706	ZRENYZYJZPFXRR-CJNGLKHVSA-N	244.378	4.675	0	10	BJAE	
CC1(C)CC(C[C@H]2CCCC(C)(C)C2)=C[C@@H](N)C1	2082987971	SOEDDYLFBMNSRT-UKRRQHHQSA-N	249.442	4.667	0	10	BJAE	
CCC1CC(CC(=O)CC2CC(=C3CCC3)C2)C1	2085000066	FBHOBCZMKOPSBS-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
C[C@@](N)(CCCCCCC1CC1)CCC1CC1	2213575648	HULMBNMOIZMPQR-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H]1CCC[C@H]1CCCCCCC1CC1	2213575927	LAMFMSBXDWMAPB-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@H](CCCCCCC2CC2)C(=O)C1	2213577731	FIISVMQHMUBOJK-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
Cc1csc(C(=O)C2CC3(CCCC3)C2)c1C	2213639120	BMOBFTNZNDNBNG-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CN[C@@H](CCCCC1CC1)CC1(C)CCCC1	2214564340	HGEDPAVWTNRLPV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[C@@H]1CC[C@H]1C	2215096446	POTIKNRDNMBZMI-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(CC[C@H]2C[C@H]2CC)CCCCCN1	2215259561	ZBKDRRNYNCJQHG-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1ccc(C(C)C)cc1	2215315343	WYCDAULKBUZITR-HIFRSBDPSA-N	231.383	4.658	0	10	BJAE	
CCC1(C)CC(C(=O)CC2(C)CC(C)(C)C2)C1	2215441181	FTPWIGSPMPACIA-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@H](N)CCCCCCCC1CC1	2216878549	DHHKLTDCGOSPPM-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@]1(CCCCC1CC1)CNC1CC1	2220045837	PILQQDJGPUFIQH-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CCCC(C)(C)C2)CC1	2221642092	BJNCABFVVOFCQL-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC2CCC=CCC2)CC1	2221644358	SAAJGJXYTBILBT-QGZVFWFLSA-N	246.394	4.829	0	10	BJAE	
CCC[C@@](CC)(CN[C@@H](C)CC)c1ccccc1	2223558442	MQEJRBDINFAZBV-RDJZCZTQSA-N	247.426	4.523	0	10	BJAE	
CCCC1(CN[C@@H](C)CC)CC2(C1)CC21CCC1	2223600810	MVMYBMOEKMUKLR-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1cccc2ccoc12	2224159615	UFOBOZKBAAVFCI-HNNXBMFYSA-N	243.350	4.569	0	10	BJAE	
CCC[C@@H](CC)CNc1cc(C)ccc1C	2244799707	IPOUETZTQXGWRK-CQSZACIVSA-N	219.372	4.542	0	10	BJAE	
CCC(C)(C)C(=O)CC[C@@H]1CCCCC12CC2	2246608262	YICCCUFFJNUNNU-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC2(C)CCCCC2)C1	2246688574	UZASNRITJJSLHZ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@]1(CCCC[C@H]2C[C@@H]2C)CCCCCN1	2247116712	BCNIOJHBPRZICO-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@H]1C)C[C@H](C)CC	2247171584	LXHHIQAEORGJHU-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC1=CCCCC1	2247500840	RESXLDHUMNQULH-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)N(CC)CCCCC[C@@H]1C[C@H]1C	2248840727	LVAMHPQRVCOSCZ-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1CCCC[C@@H]1C	2250467720	VFRJKZHQGPQYCN-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
CNCC[C@@](C)(F)CC[C@H](C)CCCC(C)C	2250484181	CFPSLMSBGAFJGR-CABCVRRESA-N	245.426	4.567	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](CN)CC(C)C	2250530127	STIKQLMWFOCABF-HOTGVXAUSA-N	241.463	4.850	0	10	BJAE	
CCCC[C@H](NCCC)[C@@]12CCCC[C@@H]1CC2	2251100657	QYQIJIWLEGSADL-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@]12CCC[C@H]1CC2	2251211312	KMCPUHRNZKTMDI-HRCADAONSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCN[C@H](C(C)(C)C)C1	2251261924	JVRDXCINRHSPLA-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H]1[C@H](N)C(C)(C)CCC1(C)C	2251702870	UCEFTVIPVDBRAY-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CCc1cc(NCCCC[C@H]2C[C@H]2C)ccc1C	2254502005	IIERGMYECMOJHU-ZBFHGGJFSA-N	245.410	4.796	0	10	BJAE	
CCCc1ccc(CNC[C@H](CC)CCC)cc1	2259472286	LUUGMUWDEXKCKY-OAHLLOKOSA-N	247.426	4.555	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@@]12CCCC[C@H]1CC2	2260489225	KLMRQPCXPKMMBB-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(NC[C@@]23CCCC[C@@H]2CC3)c1	2260622581	MMUMUDXTYIBSDB-WBVHZDCISA-N	243.394	4.686	0	10	BJAE	
CCC(CC)CCN(C)[C@H](CC)CCC(C)C	2300682951	DZKSOBLBDOKIBK-MRXNPFEDSA-N	241.463	4.959	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@H]1CCC[C@@H]1C	2300683812	NNNLZVVMBKNOBW-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1CC[C@@H]1CC(C)C	2300685735	IGJFPEPFOUKELH-CVEARBPZSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CCCCCC2)[C@H]1O	2301137783	NGMWUIJCYDPBHR-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCc1nc(-c2ccc(F)c(C)c2C)cs1	2302265360	QUQZCAKOSHHLCY-UHFFFAOYSA-N	249.354	4.519	0	10	BJAE	
N[C@H]1CCC[C@@H]1CCCCCCCCC1CC1	2302503332	IAEZRZLPFNNMRT-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](C[C@H]1CCC(C)(C)C1)c1ccc(N)cc1	2302761118	OSEGNPCRNOVIDT-QWHCGFSZSA-N	231.383	4.589	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303461279	IHVWHBLLYYCLCY-XQLPTFJDSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCC(C)(C)C2=O)CC1	2303528010	YNASJHJMDCCINO-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC[C@@H]1CCC(C)(C)C1	2304448554	ZMMYJAWWWITJFZ-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@H](C)C[C@@H]1NCC	2307898598	LFSODVJEOJOKDA-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
C1CCCCC(NC[C@H]2CC[C@@H]3C[C@@H]3C2)CCC1	2309406067	PIAMJENSBARPSH-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309805200	IFUWWQLCNYYSPS-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	2310426942	OCTMUXSXWQYHEA-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312907940	SFLAVUBTWUWBFV-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313164100	JMNZLVRBCZCCFQ-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H](C)CC2CCC2)cc1	2313613312	ULMKVXIGXAUEQQ-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCN[C@@H](c1ccc(C)c(CC)c1)[C@@H](C)C(C)C	2314714361	YRZOBKHSHNDZCW-WMLDXEAASA-N	247.426	4.500	0	10	BJAE	
CCC(C)=CC[C@]1(CNC(C)(C)C)CC=CCC1	2316488223	AADLQINZSNESCF-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1C[C@@H]1C1CCCCCC1	2316511778	WMGPBWZVMCCFIY-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@H](NCCC)C(C1CCC1)C1CCC1	2316531898	KDQUBMUZKGPIMQ-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccc(F)cc1C1CC1	2317108485	AOIRSDILZONZGP-NSHDSACASA-N	248.341	4.712	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@]12CCCC[C@@H]1C2	2317934277	PIHPLALESPWFHQ-WBVHZDCISA-N	246.394	4.807	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@@]12CCCC[C@@H]1C2	2317967139	WBLOVELDMUCMED-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CCC[C@H]2C[C@H]2C)NC)CC1	2318938170	HILOZEYMZANDNL-JHNDHUHGSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCCC[C@@H]3C[C@H]32)CC1	2319234753	OPDGAPPJXDTUSA-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(NC[C@@H]2CC[C@@H]2C2CC2)CCC1	2319602512	IHSOHAYYEDMHOR-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC[C@H]2CC[C@@H]2C2CC2)C1	2319692776	LFMWYNPVRALNOR-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC[C@@H]1CC[C@@H]1C1CC1)CC1CCCC1	2319736744	HKUCWQMFCOTDDU-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@@]12CCCC[C@@H]1C2	2320226417	NTMGVPAIMVUNRG-VMUDFCTBSA-N	248.410	4.598	0	10	BJAE	
C=C=CC[C@@H](C[C@@H]1CCC(C)=C(C)C1)NCCC	2320415014	WOTGBWWRHSCHMU-SJORKVTESA-N	247.426	4.612	0	10	BJAE	
CCCCC[C@@](C)(O)Cc1cccc(C(C)C)c1	2320631276	SRMPNEGVGLYQFN-QGZVFWFLSA-N	248.410	4.684	0	10	BJAE	
O=C(CC1CCCCC1)C[C@@H](CC1CC1)C1CC1	2320819560	QGLMTVNMLJMURR-MRXNPFEDSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(F)cc(NC2[C@H](C)CCC[C@H]2C)c1	2321093029	HAEVNCFXPBSPMH-VXGBXAGGSA-N	249.373	4.625	0	10	BJAE	
Cc1ccc(C)c(OCC[C@H]2CCC(C)(C)C2)c1	2321634568	SVGCKBZNVHWQDJ-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)CC[C@@H]2C[C@H]2C)c1	2327783501	CVHCLAFSNNPZED-ZIAGYGMSSA-N	244.378	4.737	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)CCC(C)C)cc1C	21514386	QAAZJCHCEBYZQB-CVEARBPZSA-N	247.426	4.779	0	10	BJAE	
CC[C@H](C)[C@@H](C)NCCCCCCC(C)C	21518979	NJELGOOXBYDMND-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](Nc1ccccc1F)c1ccc(C)cc1	21797247	HBLQEUJZXKYJEI-HNNXBMFYSA-N	243.325	4.697	0	10	BJAE	
S=c1c(-c2ccccc2)coc2ccccc12	33854460	ZJPQORXPVDQBEV-UHFFFAOYSA-N	238.311	4.829	0	10	BJAE	
Cc1sc2c(Cl)c(Cl)c(O)cc2c1C	39474611	XOZLGOMLIMNGAU-UHFFFAOYSA-N	247.146	4.531	0	10	BJAE	
Cc1ccccc1N[C@H](c1ccccc1)C1CC1	41075294	BFRAWRNZPYEWPF-QGZVFWFLSA-N	237.346	4.558	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(Cl)cc1	68985472	HOQNLVCBDVAGDB-LBPRGKRZSA-N	225.763	4.721	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC[C@H](CC)C1	70761513	YOYCWGAJPNKEAT-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](NC(C)(C)CC(C)(C)C)C1	71114763	LMHBIKPYXNFLJJ-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H]1CCC[C@H](C2CC2)C1	81632650	SJUUAIZRYRUGRY-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@@H](CNCCC)CC(C)C	82441748	FFJBUOGBMCLLIS-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
Cc1cc(Cl)nc2cc(Cl)cc(Cl)c12	82788499	VFSKTTVSLLHSKW-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
Cc1ccc2c(c1)C(C)(C)CCC[C@H]2C	85867190	RIHWULAZACSXEV-GFCCVEGCSA-N	202.341	4.560	0	10	BJAE	
CCC1CCC(N[C@@H]2CCCCC[C@H]2C)CC1	88506307	RCRSJMZFXSZIPW-PRLABOORSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CN)c1ccccc1C	93104885	MDANDACEASTPSV-JKSUJKDBSA-N	247.426	4.644	0	10	BJAE	
CC(C)CCC(=O)C[C@H]1CCCc2ccccc21	113477413	VWYNWBSUJVFOSS-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CCC(CC)CC1(O)CCC2(CCCC2)CC1	130019989	WJLOZYIMDUAQKX-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H]1CCC[C@@H](C2CCCCCC2)C1	149434269	DIBGGSAVANPZJO-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCC1CCCCCC1)c1ccccc1	149449845	XZISCWNCRNOZFK-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)C2CCCC2)CC1	149605819	RCUBPQOYCUYDCC-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)C2CCCC2)CC1	149606242	RCUBPQOYCUYDCC-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@H](CC1CCCCC1)NCC	162109757	ZWEGPQAKSQRCPD-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(C2CCCCCC2)C1	164801960	TVCOABMIAAWNSZ-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(C(O)(CC(C)C)CC(C)C)c1C	165406650	FUIFTMXGIBRIAJ-UHFFFAOYSA-N	248.410	4.583	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)c1cc(C)cc(C)c1	166737537	NFWRUVIRTIRROB-USXIJHARSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@@H](C(CCC)CCC)C1CCCC1	167447830	BCTKRKZIGIRJLX-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1ccc(C)s1	167831023	RSQKRLSCYWVHNT-LBPRGKRZSA-N	238.396	4.846	0	10	BJAE	
CCCN[C@@H](C1CCC(C)CC1)[C@H](C)CCC	167922500	UDHIQZKNTCWHAD-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CO)CC1CCCCC1	203501133	SOXQPCBRHSXAMG-HNNXBMFYSA-N	226.404	4.536	0	10	BJAE	
Cc1cccc(C)c1Cn1c(C)cc2ccccc21	215749460	SIRDXXAOINBUDZ-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCCC[C@H](CCC)Nc1ccncc1Cl	226091344	CTIGCGDQEYFMOE-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](N)C1CCCCCC1	226878970	MMEMVDOEBUPOPE-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H](C)CC(C)(C)C)C1	229199345	ZBLWDTOVSFJIAC-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@@]1(N)CCC[C@@H](CC(C)C)C1	230788551	YJFFQKQEOXOIGL-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CCCCCC[C@H]1CNc2ccc(Cl)cc21	232969921	AGSLNQBZWUYFKP-NSHDSACASA-N	237.774	4.820	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc(C(C)C)c1	233284411	GOYRMJGCYYEGAS-CQSZACIVSA-N	219.372	4.801	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CC(C)(C)C[C@@H]2C)c1	235544543	LQGXCXYPGNODSB-ZFWWWQNUSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](C)C(=O)c2ccccc2)C1	252909102	ZHDVWSRXYNQGIL-LZWOXQAQSA-N	244.378	4.722	0	10	BJAE	
N[C@]1(CCC2CCCCC2)CCC[C@H](C2CC2)C1	302253127	LNKAUEWYVOOXJK-IRXDYDNUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CCCC(C)(C)C	302280580	JEJICGROITUASH-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](CCC)C1CC1	302524035	PRLZJAVYYKQFFS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@@H](C)C(C)(C)C	305965795	PECFMHMYVMCNMG-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CC1CCCCC1	308068714	ZPKXFPLZYCKBME-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1sccc1Cl	308106850	KHOXXWNNAKGVPR-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CC(C)CCC(=O)C[C@H](C)C1CCCCC1	310485586	MTOHMZRCNSFWON-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)c1ccccc1CC	310827114	JIRCWWMMMRPVKY-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](N[C@H](CC)CC1CC1)C1CCCC1	313445403	QCEGDMCPCGUBEY-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC)CCC[C@H](CC)C1	316905642	PMEAXKMUQVCQKB-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
C1=C(CCC2(CNC3CC3)CCCC2)CCCC1	317534671	HJWOZEDAQZYYKY-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC(C)(CCN[C@H]1CCC12CCCCC2)C1CC1	328515720	DRLCRQWRQNCOBF-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NCC1=CCCCC1)c1ccccc1	379591803	YFPPFXWLMGDQMC-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1C	380654088	DYZDVUQLKREKGJ-LAQFHYBYSA-N	245.410	4.794	0	10	BJAE	
CC(C)CCCCCC(=O)CSCC(C)C	383195651	XRGSXWXBTJRQMP-UHFFFAOYSA-N	244.444	4.551	0	10	BJAE	
C[C@H](C[C@@H](O)CC1CCCC1)C1CCCCC1	383897425	VWTUFSTVRFJDFQ-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@@H](C)C1CCCCC1	383963895	HYFIAVKSQICVFT-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)/C=C1/CCC[C@@H]1[C@H]1CCCCN1	386279518	NSMRFZKRXKIUKB-FDJIPMLFSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1C[C@H]1CC(C)C	388084449	VICXZRDBWUGKBZ-HUUCEWRRSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CCC[C@H](CNc2cscc2C)C1	394617490	KYOZWACJKZBHQI-STQMWFEESA-N	237.412	4.685	0	10	BJAE	
C[C@H]1CCCC[C@H]1NCCCC1CCCCC1	395258224	HVZJQYCJZHSUGP-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](CCC1CCC1)NCC	398931818	RAUSYZYQLYWZOP-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H]([C@H](C)CC(C)C)[C@H](C)C(C)(C)C	399304053	KAKMHCDCLFPJMO-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1CC=CCC1)NCC	402317416	KJOPFYHTCNQPML-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCCC[C@@](C)(CN)c1ccccc1	405071281	FDOJPGHCCGBNGV-KRWDZBQOSA-N	247.426	4.510	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)c1cccc(C(C)C)c1	688931168	RQGUKAQJPDQDOW-CVEARBPZSA-N	244.378	4.675	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CCC[C@H](C)C2)c1	689615891	WEGIQBLLLMMIBG-BBRMVZONSA-N	245.410	4.802	0	10	BJAE	
Cc1ccc(N[C@@H](C)CC2CCCC2)cc1C	689780961	KBXCIJGRQAGIBS-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
CCCCC1CCC(N)(CC2=CCCC2)CC1	690461900	UKBPZOWKCPSIQW-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1Nc1cccc(Cl)c1	691068455	MDZDFWISAGQSAZ-BXUZGUMPSA-N	237.774	4.721	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC1CCCCCC1	691181698	BEQTVDXUJSMLJB-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1cccc(C(C)(C)C)c1	691712470	OUKUTIFBZMPTLH-WOSRLPQWSA-N	248.410	4.700	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)C(C)(C)CC	695146428	KUJNPTJPRALWIC-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CC2CCC1CC2	697775727	VKBHLLFJVWTUBK-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@]1(C)CC[C@H](C)C1(C)C	697825652	HGBZRPOKYLTCOE-DZKIICNBSA-N	237.431	4.523	0	10	BJAE	
CC(C)=CCCC[C@H]1CCCC(F)(F)C1	698105288	GGKOFGOVUVKCLX-LBPRGKRZSA-N	216.315	4.948	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1N[C@H]1CCCC12CC2	706519225	RLXFJDMOZHOQSG-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(O)CCCCC[C@H]1C	709193288	MMYSACPUYGMEIN-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@H](C)CC(C)C)c1	709235598	OMJNUDGUZKCCDV-CQSZACIVSA-N	246.394	4.750	0	10	BJAE	
CCc1cccc(C(=O)[C@H](C)CC(C)(C)C)c1	709251512	WAIQAGUWWMBFNV-GFCCVEGCSA-N	232.367	4.504	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C[C@H](CC)C(C)(C)C	711101634	CJGLICLDMSSIST-MELADBBJSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@@H](CCC)C[C@H](CC)C(C)(C)C	711184739	MNEJXLWGPUVNAJ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@H](C[C@]1(N)C[C@H]2CCCC[C@H]21)C1CCCCC1	712417386	PCSFCPXGRXUDIK-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1O	713219714	XKEGZOHCRMPLNX-BFHYXJOUSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C/CCNc1cc(Cl)ccc1Cl	713715818	ADWOVMMWPRAVIS-ONEGZZNKSA-N	242.149	4.538	0	10	BJAE	
C=C/C=C\CC[C@H](NC)C1(CC(C)C)CCCC1	713764989	UEUBTBDPNUNHLU-WLMCBFPDSA-N	249.442	4.703	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H]1CCCCC1(C)C	718591581	DHNRYJSVCZVCHW-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CCC[C@@H]2C[C@@H]21	718591716	YSMAKDVJVNYVAI-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCOc1ccc(Cl)c(F)c1	718593100	JPBOKBXWGPNRGO-UHFFFAOYSA-N	242.721	4.604	0	10	BJAE	
CC(C)=C(C)CCc1ccc(Cl)s1	718736188	AZSNXKSSZFFAPW-UHFFFAOYSA-N	214.761	4.690	0	10	BJAE	
CCC(C)(CC)C(=O)CC(C)(C)c1ccccc1	721732268	PVEHFKGGZDTKGO-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
C[C@H](CN(C)C[C@H](C)C(C)(C)C)CC(C)(C)C	1460746297	WXGOKAGXNQETGX-KBPBESRZSA-N	241.463	4.673	0	10	BJAE	
C=C/C=C/CCN1CCC[C@@H](C)c2ccccc21	1473364403	WBIGUEJXSWIFRW-MBVDDHJVSA-N	241.378	4.523	0	10	BJAE	
CC[C@H](CSc1ccc(C)cc1)CC(F)F	1640720299	DZRZDWNQOZQBQS-NSHDSACASA-N	244.350	4.769	0	10	BJAE	
CC(C)CCCc1ccccc1C1CCC1	1901880772	DXLRIEGIAKPMKS-UHFFFAOYSA-N	216.368	4.933	0	10	BJAE	
CCC=CC[C@H](CC)c1sccc1C	1912071384	LEYKYHXLOMSLRG-LBPRGKRZSA-N	208.370	4.906	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)c1ccccc1C(C)C	1919971387	ZLQWCDXQPHJDAG-PBHICJAKSA-N	248.410	4.844	0	10	BJAE	
C[C@H]1C[C@H](NC[C@H]2C=CCCCC2)CC(C)(C)C1	1925832830	HERROTUDLNTVEX-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)[C@H]1CCCC1(C)C	1925915865	RPAIEAMDVGEKAJ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
OC1(C[C@@H]2C=CCCCC2)CCCCCCC1	1925916539	HCWPRAMLIWUQLT-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1sccc1Cl	1928718522	NQJSVZPQRZEQJE-MWLCHTKSSA-N	246.803	4.507	0	10	BJAE	
CC(C)C[C@@H](C(=O)CCC(C)(C)C)C(C)C	1936206317	FUMIDJLTZHLWIV-CYBMUJFWSA-N	226.404	4.700	0	10	BJAE	
CCC(C)(CC)CNCCCCCC(C)C	1936267293	ALMSTADPNRYNNV-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cccc(C)c1Cl	1939408026	RKVSUUBTXLBLCU-GFCCVEGCSA-N	237.774	4.639	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C1(C)C(C)(C)C1(C)C	1940285131	PLKYTGQCYXZLTK-GFCCVEGCSA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@H](C)[C@@H](C)CC1(C)CCCCC1	1940411206	VBYFUICZTRJWKC-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC(=O)c1cc2ccccc2s1)C1CC1	1940724206	ZXPJKAHFWQBJRM-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(N)CCC1CCC1	1941460118	VPDORGANRJTHBU-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@](N)(CCCC1CCC1)C1CC1	1941465845	RDSDZTBCPVMAGE-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CCCCCC2CC2)CC1	1941590797	FOKDIXHIYLXMPG-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@H](C)CC(C)C	1941596477	MMMOBLFHGMUHCS-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@H]1CC=CCC1	1941793118	MFOAXVVAYCGYKQ-HNNXBMFYSA-N	238.415	4.556	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC1CCC=CCC1	1941797305	YKGNDVOTFYUDLT-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
CCCCCC(=O)c1ccccc1CC(C)C	1941849251	XYSKJVBBUXTCOA-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CC[C@H](CN[C@@H]1CCCC(C)(C)CC1)C(C)C	1941934544	LAVKOLNTXFWECY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2(C)CC(C)(C)C2)C1	1941988374	QQLLBGCFXCQFDP-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)c1cccc2c1CCCN2	1942656579	BYDOQQQWZQGQQU-CYBMUJFWSA-N	231.383	4.584	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC(C)C)C(C)(C)CC	1942662258	PRRZPDFHOIFBDU-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)CC1CCCCC1	1942800591	DWIIMQYQJDFOQN-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@]12CCCC[C@H]1CCC2	1944156589	QTVXRXFCNUSFIS-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC[C@H]1C)C1CCCC1	1944844336	YZVSDBFULNFAIM-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC(=O)C12CCC(CC1)C2(C)C	1945635508	ZLEGFKVEDHKQIL-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CNC(C)(C)C)[C@@H]1C[C@@H]1C	1945829535	VYZLOYWPRGTNMW-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1C=CCCC1	1947574690	BQNHSXABNVXEJG-AWEZNQCLSA-N	229.367	4.578	0	10	BJAE	
CC(C)=CCCC1(O)CCCCCCCCC1	1947878539	JKALGTAVEUMEII-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC1([C@H](N)C[C@@H](C)C2CCCCC2)CCC1	1948934818	LABIGFLZAPKVOD-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CC=C[C@H](C)Cc1ccc(OCCC)cc1CC	1951305794	ZCNMIUXXOSBGCU-AWEZNQCLSA-N	246.394	4.793	0	10	BJAE	
CCC=CC[C@H](CC)c1ccc(OC)cc1C	1951308848	PETXFWPQJCHBSB-AWEZNQCLSA-N	232.367	4.854	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1965990828	CFAZXADNJHXRRJ-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CCC(NC2[C@@H]3CCCC[C@@H]23)CC1	1967703739	WBAWSNDSRIUSSX-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCNc1cccc(C2(C)CC2)c1	1967832342	MHYDGBDYNSEDTR-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
Cc1ccc(F)cc1NCC1C[C@H](C)C[C@@H](C)C1	1968313267	ZNCQACSHPHZXHV-VXGBXAGGSA-N	249.373	4.618	0	10	BJAE	
Cc1cc(F)ccc1NCC1C[C@@H](C)C[C@H](C)C1	1968361779	RBUAFXPAJWJGTC-RYUDHWBXSA-N	249.373	4.618	0	10	BJAE	
C[C@H](c1ccccc1)N(C)C[C@@H]1CCC(C)(C)C1	1968437641	WGLMIXAGFWFXJO-HUUCEWRRSA-N	245.410	4.506	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@@H]1CC(C)C)c1ccccc1	1968550301	XSCAYSCAZNQXLQ-IKGGRYGDSA-N	245.410	4.552	0	10	BJAE	
CCC[C@H](C)N[C@@H](C)C1CCC(C(C)C)CC1	1968898381	BPEWITILJNSPQX-FXQLRMTLSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](NCC(C)(C)CCC)c1ccccc1	1973163589	GWQVGPZXTPUKDJ-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
CC[C@H](CN[C@@H](C)c1cc(C)ccc1C)C(C)C	1973386220	NWZRBABXPMMIFT-JKSUJKDBSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1973573795	QLAOEKQSORDZGZ-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CN(CCC1CC1)[C@@H]1CCCCC12CCCCC2	1974449949	OQAFXKDIXBNPCK-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCCCC[C@H](O)[C@H]1CCC[C@H](CC)CC1	1976340599	COQDAVCSMHTUIB-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCc1csc([C@@H]2CCCCC23CC3)n1	1981841733	UXEHJOMUCRQERF-LBPRGKRZSA-N	235.396	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC(=O)C[C@@H](C)C1	1982565520	GKOSRYXQCITUCP-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC=CCCC[C@H](NCCC)c1cccs1	1984612549	OAMXTLOOFCPUOV-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
CC=CCCCNc1ccc2sccc2c1	1984616304	KFWUNGCTEBLTLW-UHFFFAOYSA-N	231.364	4.670	0	10	BJAE	
CC[C@@H](CNc1cccc(Cl)c1C)C(C)C	1988766786	FYWXYJIYZVBCIZ-LBPRGKRZSA-N	239.790	4.743	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccc(Cl)c(C)c1	1993201446	VIHFVPAEIDCYBS-IINYFYTJSA-N	240.774	4.508	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2(CC)CCCCC2)C1	1995691272	KTHKCGVBFDWDNN-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@](C)(O)CC2CCCCC2)C1	1996250563	QDOCNGUITSVLIZ-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](Nc1ccccc1C)C1CCCCC1	1996594759	PIWHIZRSMPLAHB-HNNXBMFYSA-N	231.383	4.766	0	10	BJAE	
CCC(CC)C[C@H](N)CC1CC(C(C)(C)C)C1	1998241129	QSCHJPREECJQQH-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1CC(C(C)(C)C)C1	1998241634	UDMZTHKFMGJSGE-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@H]2CCC=CCCC2)C1	1999984210	VRIPPHLPZCDMGU-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CN[C@@H](C)CC(C)(C)C[C@H]1CCC=CCCC1	1999991661	BXJTXHXXKSKZCH-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@@H]1CC12CCCCC2	2001211842	VDYGDAHLBSQMDX-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)C[C@]1(C)CCCC1(F)F	2002575273	CBNSSVPKMOLILW-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC(C)CC(=O)CC[C@]1(C)CCCCC1(F)F	2002588822	NGQDIOGWWXSHLI-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CC(C)(C)CCC[C@]1(CN)CCCC(C)(C)C1	2002973337	FSFNXEVYOSREJU-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
CC[C@H](NC1CCCCCCCC1)[C@@H]1C[C@H]1C	2003101805	VTYPFOFPWVPPCA-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CC1CCC2(CC1)CC2	2003189634	DJFBZPBPORVSHW-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CCC(N)([C@@H]2CCC[C@H](C)C2)CC1	2004342129	PSDXDMLJCROLJW-QRNKSROTSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@@]2(CO)CCCC2(C)C)CCCCC1	2005570065	IRGKLVBAKVLYMP-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(CO)CCCCC1(C)C	2005582976	KQLPFWHOCNHNJY-INIZCTEOSA-N	240.431	4.638	0	10	BJAE	
CCC(CC)C[C@@H](N)C1(C)CCC(C)(C)CC1	2007690894	BDSRRGKGRZJRKX-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC(C)([C@H](O)CC2(C)CCC2)CC1	2007697710	QBHWKWPWERVQOT-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC1CC(CC)C1	2007739752	ZANRAJVPMDQXLJ-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCOc1ccc([C@@H](C)CC)cc1	2009568019	YDJAGQAMQZZJSC-YVZNUBBCSA-N	232.367	4.935	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)CCC(C(C)C)C(C)C	2015360792	LXAOLQGLJQQENP-LSDHHAIUSA-N	241.463	4.717	0	10	BJAE	
CC(C)C(CCC(=O)[C@]1(C)C=CCC1)C(C)C	2015390405	LHCZJIZBHYHBDM-MRXNPFEDSA-N	236.399	4.620	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1(CC2CCC2)CC1	2015793698	PYFOBJUDQCDKGM-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CC1(C(C)C)CCC1	2017144909	XKZTZIWZBZJGCD-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CN[C@]1(C)CCCC(C)(C)C1)C(C)C	2017612294	HHIDZZJNFYMRMV-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)C[C@H]1CC[C@H](CC)CC1	2017653687	WMHAQMHQHNYDAF-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC1CC(CC)C1	2018180882	BXHXCLSZMDOEGH-UYSNPLJNSA-N	239.447	4.713	0	10	BJAE	
CCCCCC[C@H]1CCCC(C)(C)[C@H]1NCC	2020360424	GAZRYBUCVVNUNC-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCCCCN(CC(C)C)C1CCCCC1	2020537281	KYSCTTRADUJXRG-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CCCCC(C)(F)F	2023299930	QQESWCNXSPNZFH-OLZOCXBDSA-N	249.389	4.602	0	10	BJAE	
CC(F)(F)CCCC(=O)CCC1=CCCCC1	2023302733	VSFDHAQPTZDRCY-UHFFFAOYSA-N	244.325	4.662	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@](C)(O)C2CCCC2)C1	2024124070	OEYNXAXPSYRNTI-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C=C1CCCCC1	2026166087	HELHVVFYMCMNRB-HOCLYGCPSA-N	238.415	4.844	0	10	BJAE	
CCCc1coc2c(C(C)(C)C)ccc(C)c12	2026530183	YLWLRIDEKCUAAI-UHFFFAOYSA-N	230.351	4.991	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)CCCC1(C)CC1	2027833238	ORUXGSCKXDGEFV-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CC(C)(C)C1CCC(C2(N)CC3(CCC3)C2)CC1	2028115086	MWSNAXQDULGIJR-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCc1cccc([C@H](O)[C@@H](CCC)C(C)C)c1	2028242002	WYTCCMZPQCAJRT-IRXDYDNUSA-N	248.410	4.745	0	10	BJAE	
CC(C)C[C@@H](C(=O)CCc1ccccc1)C(C)C	2028255680	SCYVIMPXCPHJIG-MRXNPFEDSA-N	246.394	4.507	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)c2cccc(C3CC3)c2)C1	2028557712	PUXMCYZPXKFNMK-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CC1([C@H](O)c2ccc(C3CC3)cc2)CCCCC1	2028612291	OXZNPPIYZGXUGA-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
C[C@@H](CC1(N)CC(C2CCC2)C1)C1CCCCC1	2029289551	QQKCWXHPUOTNQU-IGEOTXOUSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](c1c(C)cc(C)cc1C)C(C)(C)C(C)C	2032347464	XIZLPKNGRFCHTP-INIZCTEOSA-N	247.426	4.555	0	10	BJAE	
CC1(C)C[C@@H]1CCCN1CCCC12CCCCC2	2033521945	DDRXXKBSXDAOBP-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(N)C[C@@H]3CCCC[C@@H]3C2)C1	2034158686	KGMLAQRPRYRKQS-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)C[C@@H]1C=CCC1	2035587495	DSJSJNXPGQLRKK-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1CCC1CCCC1	2037223661	KFQZNGSCWYIMRI-UKRRQHHQSA-N	243.394	4.802	0	10	BJAE	
CCN[C@@H](CC[C@H](C)c1ccccc1)C(C)(C)C	2038076718	ZIHMZMBBBDCTPL-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)[C@H]2CC23CCCCC3)CC[C@H]1C	2039012623	QPNNFDBRMAAEQW-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC1([C@H]2C[C@@H](N)C23CCCCCC3)CCCCC1	2039843348	JDDXQJDFDYUGKU-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)c2ccc(C)cc2)CC1	2041374326	ZRXGBLNUWWXFNG-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
CN[C@@H](CCC=C(C)C)c1ccccc1C1CC1	2042296996	PPMIIZMYWWRUDH-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
Cc1cccc([C@H](N)C[C@H]2CCC=CCCC2)c1	2045304961	KPBOQHVMXZMFOC-DOTOQJQBSA-N	243.394	4.521	0	10	BJAE	
CCNC[C@@]1([C@@H]2CCCC(C)(C)C2)CC=CCC1	2045509529	ZKWHLVOBXDXOSE-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](CNC1CC2(CCCCCC2)C1)C1CCC1	2046231044	BBHMZIRHANVRDK-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@H](C[C@@H]2CC23CCCC3)NC)CCCC1	2047008753	ORTZOGKLIGTFRO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(NC[C@]2(C)CC=CCC2)cc1C	2047725500	DAVWBPKRVNVNKS-QGZVFWFLSA-N	243.394	4.716	0	10	BJAE	
CC(C)(CCC(=O)C1[C@@H]2CCCCC[C@@H]12)C1CC1	2048364770	BNDCKVBXUGHNFV-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C[C@@H]2CC23CCCC3)C1	2049564004	MGNWWHHBRJMVAR-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCCC1)[C@H]1CC[C@H](C)CC1	2049681040	KAHHAKRRQTVKEB-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)cc(C)c1C(=O)CC1(C)CCCC1	2049805437	ZEUOIKMOESECGO-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@H]1CCC2(CC2)C1	2049844521	BGHQEUPAMIXLEN-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@H](C[C@@H]2C=CCCC2)C1	2055011350	GKJXUJLLLVMWAU-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1[C@@H]1CC(=O)C[C@@H](CC)C1	2055126376	XBDPVXLLVAAQQU-ZFWWWQNUSA-N	244.378	4.502	0	10	BJAE	
N[C@@H](CC1CC(C2CC2)C1)C1CCCCCCC1	2056645379	LDLVVPLSVLJTTK-IMRCBTMISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@H]1C=CCCC1	2056880741	BJZSWQFUZAMSKO-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCCC1CC(NC[C@]23CCCC[C@@H]2CCC3)C1	2059395417	KVAFOOYDICVDEL-MNAZLIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)C2=CCC(C)(C)CC2)C1	2061116142	NHCGZPYWFBILSU-LXZKKBNFSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C1=CC[C@@H](CC)CC1	2061148619	WHZOGYFQEOHYAA-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)[C@H]1CCCCCC12CC2	2062196436	LSBKQKQWYWPZPV-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CCC1(CC)CC(N)(CC2C[C@H]3CCC[C@@H]3C2)C1	2063495957	GIIWNGVCYJARSJ-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@@H](NCCC23CCC(CC2)CC3)C1	2065258287	HRJPJKONLJXFJH-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CC23CCC(CC2)C3)C1	2065335056	LBNBZZLNFWRLQR-ODZFXCKXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@H]1CC12CCC2)CC1(C)CCCC1	2069214426	LATNZQOMJCGOFO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NCC1(C[C@@]23CCC[C@H]2C3)CCCC1	2070964060	SWFOLUJDFDBWCA-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
COCc1ccccc1CC[C@@H]1C=CCCCC1	2071400071	SELDXNKLQYOAEJ-OAHLLOKOSA-N	244.378	4.512	0	10	BJAE	
CC(C)C1(CC(=O)[C@H](C)c2ccccc2)CCC1	2071922979	XPBCTGWDSTYEPM-CQSZACIVSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)C2(C(C)(C)C)CCC2)CC1	2071939267	YEACIPZNPPNMSB-UKRRQHHQSA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(C[C@H]2CNC23CCCC3)CC1	2072816697	XGLYZTAMMYWWGI-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](N)c2ccc(C(C)(C)C)cc2)CC1	2074558288	LPJKGKWMUBXHCX-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CCCC1(C[C@@H](O)c2ccccc2C(C)C)CC1	2074611143	GBMOXJQDSSFBMF-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@H]1CCCCC1(C)C	2074795062	RAOGNBLFXUNIOA-HOCLYGCPSA-N	245.410	4.648	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CC[C@]12CC[C@H](C)CC2	2074898363	CAYQULDQSAXHBT-LUKYLMHMSA-N	249.442	4.610	0	10	BJAE	
C1=C[C@H](N2CCCC[C@@H]2C2CCCCC2)CCC1	2075082968	VBSAOYIHXZTDSE-DLBZAZTESA-N	247.426	4.530	0	10	BJAE	
CCN[C@@H]1[C@@H](C[C@H]2C=CCCC2)CCCC1(C)C	2076396728	WVMVTRHUTBLALR-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCCCc1ccc([C@@H](N)CCC2CCC2)o1	2077981506	ASCSDPYVWYPKOH-HNNXBMFYSA-N	249.398	4.592	0	10	BJAE	
CC1(C)C[C@](C)(CC[C@H]2CC23CCCCC3)CN1	2078867761	RDSWSAZQLDALGK-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2C[C@@H]2C2CCC2)CC1	2079440783	CSZXNNZMOZHBOZ-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1C[C@@H]1C1CCCCC1	2079531137	QJPWNTZSTXXPRP-USXIJHARSA-N	249.442	4.680	0	10	BJAE	
CCC[C@H]1C[C@H]1CC1(CNC2CC2)CCCCC1	2079665835	NTKOUNUZJNUQDI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Fc1ccc(C(F)(F)F)cc1-c1cccs1	2080294421	VMBXJCYQIUQYQF-UHFFFAOYSA-N	246.228	4.573	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCCCC[C@@H]1C	2081946829	LZBMGHBRKVDDAB-SWLSCSKDSA-N	249.373	4.769	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@H]2CC=CCC2)c1	2082954798	WCENQWWZAGGAFF-HNNXBMFYSA-N	242.362	4.541	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)C2(C3CCC3)CC2)C1	2082981090	AQXRVALFVXHZCA-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@H](C2CCC2)C12CCCCCC2	2083324518	FVUBORZTMFQJSC-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC1(C(=O)c2ccc(F)c(C)c2C)CCCC1	2083354538	NIGNKNIEQJIHKT-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCC(CC)[C@@H](N)CC1CC2(C1)CC1(CCC1)C2	2083613653	PCYZTANPVLHOAO-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
C1=CCC(CC[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2210344904	RUCVKHAFORVJFJ-MUJYYYPQSA-N	218.384	4.949	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CC=Cc1ccccc1	2210662697	SCZJFXZCEKEIJK-GOEBONIOSA-N	214.352	4.916	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1cccc2ccsc12	2215308762	YVJWKXAPKMYBNH-AAEUAGOBSA-N	245.391	4.749	0	10	BJAE	
CN[C@@H](CCCC(C)C)CC1(C)CC(C)(C)C1	2215397118	ZVEDSTHBPDPUAI-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CCC(C)C)(CN[C@@H](C)CC)C1	2217126799	BZDNVMFJZFHNLW-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC(C)(C)CC)CC1(C)C	2217127544	HSBXZLMAPWDKSH-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NCC1(CCCCCC(C)C)CC1	2217138696	FSCKSMAJCCANBY-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218321783	GVBQXLRDMOKSJE-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)C[C@H]2CCCC[C@H]21	2218729316	YUIGIBKJGWDONM-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@@H]1CCC12CCC2	2220024633	HTFJOLPDRNZYKN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H]1C[C@@]1(CNC(C)(C)C)CC=CCC1	2220670909	HXENIMKXOAEIJA-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)C2=CCCCCCC2)CC2(CCC2)C1	2221007560	SCAFFHPCYWRCRB-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC(CC(=O)CC2(C)CC3(CCC3)C2)C1	2221085870	KQVLOKUVMHZLTD-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@@]1(C)CC=C(C)CC1	2221618830	LLJPRPSXNORJAY-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC[C@@H]2CC=C(C)CC2)C1	2221665118	DTRQDIAVQKMLFU-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C(=O)CCCCCCCC2CC2)o1	2223130861	ROFYLHAFYYUFNH-UHFFFAOYSA-N	248.366	4.911	0	10	BJAE	
C[C@@H]1C[C@@]2(C(=O)CCCCCCCC3CC3)C[C@@H]12	2223140394	QIALPWHUGHEESW-UKPHBRMFSA-N	248.410	4.742	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)CCC12CCC2	2223154733	MHSFNVOYWBPJSQ-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC[C@H](C)NCC1(C[C@H]2CCC[C@H]2C)CC=CC1	2223542710	SRWJIPQNNCGSDC-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](NCCC)[C@H](C)c1ccc(C)cc1	2223963658	KWYFZMIBKVMDNT-NVXWUHKLSA-N	247.426	4.657	0	10	BJAE	
Cc1csc(C(=O)CC2CC3(CCCC3)C2)c1	2246822806	WWRWGTXBKHZQIA-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CC1=CCCCC1	2247159368	MVNVJHLFHPIMIG-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCCC[C@@H]1C[C@H]1C	2247159484	NMAJNRLPVFUJPQ-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@H]1CCC12CCC2	2247444758	ZNVSMQMULVSHJU-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C1CCCCC1	2248819317	JCDDZEHYHYRLKB-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)[C@H](CC)CCC	2250360360	WUAFGCQBWGAYGJ-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CNC[C@H]1CC[C@H](CC)CC1	2250381660	QLEJBGWIPJYACE-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC1(C(=O)CC2CC(CC(C)(C)C)C2)CC1	2251588688	MFGLQMMZVKJBHD-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251708499	RDTIJMCXTPOLGE-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CC1CC(C)(CC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1	2253685312	HUDRXCAOEDIKTP-QJKCGZJTSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC[C@H]2CCCCC23CC3)N1	2253853554	KEXDZYROCHNSGN-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@@]2(C)CC=CCC2)C1	2253938842	OKOTYJUVKZPLLU-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2CCC3(CCC3)NC2)C1	2253969047	FWGLVEJBTQFYGD-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCC3(CCC3)C2)C1	2254002956	NPGGUCBJDUCVFV-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2CC3(CCCC3)C2)C1	2254081523	CILSCIHRCJUDGK-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCn1ccc2cccc(F)c21	2254511077	FTCJDQAKAUJGDB-TZMCWYRMSA-N	245.341	4.607	0	10	BJAE	
Cc1cccc2c1ccn2CCCC[C@H]1C[C@H]1C	2254522657	PPBHTNMXHGCRQR-CABCVRRESA-N	241.378	4.776	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1C[C@H]1C1CCCC1	2254603594	CILXXORTKRPMOO-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC[C@@H]1CCCC12CC2)C1CCCCC1	2255311638	VSRJJALCRBCTLI-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](NCCC1CCCCCC1)[C@H]1CC12CCC2	2256410165	KFNCJDZBGVPPCK-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(N[C@H](C)[C@H]2CC23CCC3)ccc1C	2256450817	FOZVJNJQEQQEJM-CZUORRHYSA-N	243.394	4.548	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@]23CCC[C@H]2CC3)CC1	2260513058	RRAIWIBWMZRMNJ-QBYUYEEZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@]23CCC[C@H]2CC3)CC1	2260581145	CVXQFMUTURONEO-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@]12CCC[C@@H]1CC2)C1(C)CCCC1	2260616342	ZLDCEJWTFUKRMM-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@]23CCCC[C@@H]2CC3)CC1	2260632127	AWOVCDYFSOYLOW-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CC1)[C@H](N)C1(C)CCCCCCC1	2298943600	VNQQMVGGDOIWEA-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@H](CCC(CC)CC)C1	2300689523	YXXLXIMTHOBRDI-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@]1(CCC(CC)CC)CCCCCN1	2300702356	WOMSERPLJIJNBX-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CCCC12CCCCC2	2300901904	OQCOMLDYNWXHEY-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCN[C@H](CCCC1CCCCCC1)C(C)C	2301141761	CDMXDYJBGFQMDL-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1[C@@H](Nc2ccc3sccc3c2)CC1(C)C	2302137845	AYNNLHUWUXYPEV-GWCFXTLKSA-N	245.391	4.748	0	10	BJAE	
Cc1ccc(CCCC(C)C)cc1C(F)(F)F	2302228814	KSYSBBQWPSDCNW-UHFFFAOYSA-N	244.300	4.993	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC[C@@H]2C(C)(C)C)CCCC1	2303478988	VRRCTGPQZPFUEE-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CC(C)(C)CC2=O)CC1	2303522469	LIVNXWAIRZTXEJ-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)CC[C@H]1CCC(C)(C)C1	2304418960	VUNCSJHHXJHDTH-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CC=C(C)C)CC[C@@H]1CCC(C)(C)C1	2304433429	BTXLUAZLJORHNE-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@H]2CCCC[C@H]2N1	2307821551	HVOCIHSTUAPDAU-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1C(C)=CCC[C@@H]1C	2307845685	RSCUDOBNEADCHD-DZKIICNBSA-N	236.399	4.764	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)C(C)(C)C(C)C	2307906873	JDLRKLISFXVEIY-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCCCCC[C@H]1O	2307909561	UXTMOJYZIAQIDV-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C[C@H]1CCC[C@@H]2C[C@H]12	2309963037	QZXZIMQGFMNJKM-KLZNWCGWSA-N	246.394	4.518	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@@H]1C[C@H]1C1CCCC1	2311519961	PWXKDLOWABBJPR-PVAVHDDUSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2C[C@H]2C2CCCCCC2)C1=O	2311609516	DVVWUJPZTAXZBS-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@H]1C[C@@H]2CC[C@H]1C2	2312950586	FYEIATGONDVVPG-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CN[C@@]12CCCC[C@@H]1CC2	2313311135	QSNZSETYTJWOCO-YLFCFFPRSA-N	249.442	4.515	0	10	BJAE	
CC(=CCN[C@H]1CCCC[C@@H]1C(C)(C)C)C1CC1	2315266784	TYNXIFOELSFTDM-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
COc1ccc(N[C@@H](C)CCCC(C)C)cc1C	2315950763	WZTYRJFTAGCRIQ-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C1CC(=C2CC2)C1	2316248994	VHOMXZHIWGDMGF-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CCC(=O)c1cccc2ccccc12	2316542572	RBIPYHYLXATJBM-UHFFFAOYSA-N	238.330	4.769	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2316793828	ZIOMASIJBRWTKK-VRKREXBASA-N	248.410	4.598	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317153406	BGSRKGFMCSCGJH-VQHPVUNQSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317158531	VAAOJTJPYLDFDY-LVQVYYBASA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)[C@H](C)C1CC1	2318588516	GYEJGNXKXUMFPR-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=CC12CC(CCN1)C2	2318783051	RCYYUOJGRSZGQU-KLAILNCOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)(C)C1)C1(C)CC=CC1	2319028168	APCQVIFHWNDZJA-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCC(C)(C)C1)c1ccco1	2319117594	BWGCPXMPEGEGRZ-KGLIPLIRSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC[C@](N)([C@@H](CC2CC2)C2CC2)CC1	2320762658	QDDZMVNVANRCBL-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](N)C23CC(CC(C)C)(C2)C3)CCC1	2321583255	CERHVKKQRBYDPJ-HPUBIQBYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)[C@@]23CCC[C@@H]2CC3)C1	2321634939	WOOPCFOLEGQKSS-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)C[C@H]2CC2(C)C)c1	2327680526	FWVMZORMOHNPGS-ZDUSSCGKSA-N	244.378	4.737	0	10	BJAE	
CCC[C@@H](CC)Cc1ccc2c(c1)CC[C@@H](C)N2	2328184890	CAVOVVLGNSUHDL-ZIAGYGMSSA-N	245.410	4.802	0	10	BJAE	
CCC[C@H](CC)CC[C@H](NC)c1ccccc1C	2328292067	KKFJRSFMYWHLRW-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CC)c1cccc(C)c1	2328296205	YHCLOFNDCNYLKM-RDJZCZTQSA-N	247.426	4.775	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)CC(C)(C)C)cc1	21055333	QNWJQWKHWFGWPH-IUODEOHRSA-N	233.399	4.636	0	10	BJAE	
CCN[C@H](c1csc2ccccc12)[C@@H](C)CC	35555170	HHODOYLJXKPVNW-NHYWBVRUSA-N	247.407	4.598	0	10	BJAE	
Cc1cccc([C@@H](C)Nc2cc(C)ccc2F)c1	37245556	NDVDOVLGFMBITF-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccccc1SC	71159517	JFCWWXSKKVLZRC-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
CCC1CCC(C2(O)CCC(CC)CC2)CC1	85076993	GLVJAQNOHZVKEV-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC(Oc2ccccc2Cl)C[C@H](C)C1	85149890	GVSXJFSFOQYKJD-FOSCPWQOSA-N	238.758	4.544	0	10	BJAE	
CCCCCN[C@@H]1CCC[C@H](C(C)(C)C)CC1	86954057	YUYDBBLJCKKIGZ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(CCC(C)(C)C)CC1	87187579	OYKXRDJWPYMTTQ-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)CC1(CNC2CC2)CCC1	87411703	ODWGTYMDWVNOQC-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC)C1CCC(C(C)(C)CC)CC1	92595830	NHMJJJYARDYQHK-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1ccc2ccccc2c1	103933802	UIMDXNIPCTYYKY-SUMWQHHRSA-N	242.362	4.700	0	10	BJAE	
CCC[C@H](CC)NC1CCC(C(C)(C)C)CC1	109944954	OPDHTEWWJQXTFW-SLTAFYQDSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)C[C@@H](CNC(C)C)c1ccccc1	125460426	BJWVWBMYXOLQNI-KRWDZBQOSA-N	247.426	4.595	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCCC[C@@H]1C(C)(C)C	147964161	VVSZLCOFEXHTHW-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H]1CCCC[C@H]1CNCCC	155611000	ZZUAEGMTZGYEQY-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
CC1CCC(C(=O)CCC2CCCCC2)CC1	165964316	MJRMTNHJCNJWII-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)c1cc(C)c(C)cc1C	168702142	BIBMJUNVFIDXJW-SJCJKPOMSA-N	247.426	4.699	0	10	BJAE	
CCCc1ccc(CCC=C(C)C)cc1	211859716	CFDXQSNXOFNSOH-UHFFFAOYSA-N	202.341	4.538	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC[C@@H]2C(C)C)c1C	214420303	SUBSBSZYLVYCQW-WBVHZDCISA-N	245.410	4.930	0	10	BJAE	
CCN[C@@H](CCC1CC1)CC1CCCCCC1	229556427	WMHFSHMIBUMCEH-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(N)c(-c2ccccc2C2CCC2)c1	229615630	FEUQQZZBGCGILR-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CC(C)[C@@H](N[C@@H](C)CC1CCC1)c1ccccc1	229677853	KHTKIVZTLVNLQK-WMLDXEAASA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1c1cccc2c1NCCC2	233909126	BWHQFBIDUOJAIN-HIFRSBDPSA-N	243.394	4.729	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@@H]2CCC23CCCCC3)C1	235370010	ZCYJXXGDOBNJMU-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H](C)C2CCC2)CC1	252982051	UORFTWCFUYTUQI-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCc1ccc(C(=O)CCCC(C)(C)C)s1	300938059	VWARSYKIDQJAAE-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CCCC(C)(C)C)CC1	300955570	XVXRACFPCCCIIY-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(O)CCC1CCCC1	302275274	SFYKOHHYHISCQO-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CCc1cc(NCC2CCC(C)CC2)ccc1C	302341449	UTDXWTFEYHAQOC-UHFFFAOYSA-N	245.410	4.796	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cc(CC)ccc1CC	302429973	SAUVXCHXMYCOPU-SUMWQHHRSA-N	248.410	4.671	0	10	BJAE	
CC1(C)CCC[C@](N)(CCC2CCCC2)CC1	305896257	JZAZVEITOGKUDW-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(C2CCCCCC2)C1	306050005	PFIUTZXAMCVIQF-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C2=CCCCC2)cc1	306108409	USLHKQPSSPOPSS-AWEZNQCLSA-N	243.394	4.705	0	10	BJAE	
Cc1cc(Cl)cc2sc(Cl)cc12	306705447	ORYGEEAYIPKSJF-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CSc1c(C)ccc2cc(Cl)sc12	306855292	WDVXTUGSRZYTGH-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1cccc2sc(Cl)c(SC)c12	306940907	QDQDWPWWCLIYIQ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Fc1csc2c(C(F)F)cc(Cl)cc12	307437337	RXOINFVZCHNKHC-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCc1c(SC)ccc2sc(Cl)cc12	307631925	AAFXCRWRLZNYLT-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Cc1cccc(C(=O)[C@@H](C)CC(C)C)c1Cl	309145802	IUUJCDRHNYDTLL-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2CCC(C)CC2)C1	310310951	DTYPJRCLEJKNCC-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C(C)(C)CN[C@@H]1C=CCCCCC1	310360971	UFXDPKZYRYLQEU-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC(C)C1CCC(O)(CC2(C)CCCC2)CC1	310480387	CUCFTPKJPAHJMM-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@H](C2CCCCCC2)Nc2ccccc21	310679491	KMQVDCPUUZDZEA-SUMWQHHRSA-N	243.394	4.945	0	10	BJAE	
Fc1cccc(N[C@H]2CCCC23CCCCC3)c1	313037005	NCFLMVPZSHALTG-HNNXBMFYSA-N	247.357	4.741	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)cc1F)C1CCCC1	313416721	VKJVYEUAEICAGM-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
CCNC[C@]1(CC(CC)CC)CC[C@H](CC)C1	317395225	GDRCTQJGOWWKHA-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC(C)C)CC[C@H](C)C1	318017491	FNKNYDODIFXFKQ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@]1(CNC(C)(C)C)CC[C@H](C)C1	318058539	SNPKAWRNUUVTJO-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC/C=C\c1ccccc1)C(C)C	324298552	QBFSHRIVEBLFAK-SAYIFAPPSA-N	245.410	4.504	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCC1(C)C)C1CCCCC1	383741102	CGIBGRTYBLYJRN-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(-c2ccc3ccccc3c2C)ccc1O	384392293	ROAOYXKRLPUZKT-UHFFFAOYSA-N	248.325	4.829	0	10	BJAE	
CCCc1ccccc1-c1ccc(O)c(Cl)c1	384469690	QUQQTDMOIOOHIR-UHFFFAOYSA-N	246.737	4.665	0	10	BJAE	
CCN[C@H](C)CC(C)(C)C[C@H](C)c1ccccc1	384728776	JMMHZAOSGPWZQO-LSDHHAIUSA-N	247.426	4.595	0	10	BJAE	
Cc1cccc(SCCC2=CCCCC2)c1N	385102935	BFBJADRYWSMVMC-UHFFFAOYSA-N	247.407	4.560	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@H]1C=CCCCCC1	385399473	LLEWBNWKOXJAOQ-YESZJQIVSA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@H]1CC[C@H](CC)CC1	393346215	FWWLNBOPYBFSSR-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CC[C@](O)(c1ccccc1C1CCC1)C(C)(C)C	395455891	GWNKFQBSURMLGS-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@@H](C)C(C)(C)C	399304935	KEOPZUIHUPGBSW-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(CN)c1ccccc1	405128100	FJOIFKMSJYUSFH-WBVHZDCISA-N	247.426	4.510	0	10	BJAE	
CCC1(CNc2ccccc2C(C)(C)C)CC1	687532997	AYQNBJIJJAWRSV-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCCC1(CNCC)CC(C)(C)CC(C)(C)C1	688011184	JORMALQPPSWYSX-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCc1cc(-c2cccc(C(C)C)c2)ccc1N	688967262	KOXSNNJVXPGKJH-UHFFFAOYSA-N	239.362	4.622	0	10	BJAE	
CCCC[C@@](N)(CC)CC/C=C/c1ccccc1	690514742	JRVXQCROXQCMKR-VEMDQMBVSA-N	245.410	4.778	0	10	BJAE	
CCC(F)(F)C(C)(C)CC(=O)[C@@H](C)C(C)(C)C	691059704	DBNRFMDFYCPYEY-SNVBAGLBSA-N	248.357	4.699	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)C1CCCCCC1	692058573	KUZDEWUUGAAAMS-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1(CN[C@H]2CCC23CCCC3)CCCCCC1	693893560	BFMGYCIOVZIUBT-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCC[C@]1(C(C)(CC)CC)CCCCCN1	701119182	WNMICNWITAHGPQ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1cccc(C(C)C)c1	701516428	ANMSCSMTOOIDLZ-OAHLLOKOSA-N	233.399	4.507	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@@]1(C)CC1(C)C	702186340	MYBJDQHFIYWDFF-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CCCC12CCCCC2	704433952	BUXPKWYZFFYTHI-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC[C@@](N)(CCCC(C)(C)C)C1CC1	704836056	MTVBKACLQAVXTB-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCCC1(O)CCC(C(C)(C)C)CC1	704907653	QMBMGFXWQFSHLO-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCCNC[C@@]1(CCC(C)(C)CC)CC1(C)C	705383120	OIAUOTKYQXMELP-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@H](C)CC(C)C	708299546	ZCSLSOLQBGYTBW-PBHICJAKSA-N	247.426	4.753	0	10	BJAE	
C[C@H](NC1CCC(C)(C)CC1)[C@]12CCCC[C@H]1C2	709155609	SYWBDNMMFYOVAE-GRDNDAEWSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C[C@H](N)CC1(C)CCCC1)C(C)(C)C	711113241	NEQKHVVAXCBTHV-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H]3CCCC[C@H]32)cc1Cl	712393091	WHTRYAGEDQZCHH-NJZAAPMLSA-N	249.785	4.639	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCCC[C@H]21)C1CCCCCC1	712527120	XDTJGDRCUPMNEI-RKTXRCNFSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C[C@H](CC(C)(C)CC)NC)C(C)(C)C	713235724	RRYLZZWZIWKZGZ-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC(C)c1ccc(OCC(C)(C)C(C)C)cc1	713240325	NJZTVDXGQPHSDL-UHFFFAOYSA-N	234.383	4.871	0	10	BJAE	
C=C/C=C/CCNC1CCC(C(C)(C)CC)CC1	713498586	IJRFVKSZVIRNNU-BQYQJAHWSA-N	249.442	4.703	0	10	BJAE	
CCc1cccc2ccn(CCC(C)=C(C)C)c12	718571188	WWOWIXPHUZIKPP-UHFFFAOYSA-N	241.378	4.950	0	10	BJAE	
CC1(C)CCCCC[C@H]1NCC1(C2CC2)CCC1	719309654	VAZPVSCEXXNQIZ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)C1(C)CCC1	720771602	HRZHXZCTRQGXHQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CNC2(CCCCC2)[C@@H]1CC1CCCCC1	721027335	GAXAMVOGWOHACS-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cccc(C2CCC2)c1	721702249	NKBMWCWTIZLQQV-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCSc2ccccc2)C1	1656053617	ICFVLXIOIGFUEE-KGLIPLIRSA-N	234.408	4.995	0	10	BJAE	
CCCNCC(=CC1CCCCCC1)C(C)C	1876957484	ROLZGRAWCUFITE-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCCC[C@@H](C)COCc1ccccc1	1880242480	GEXJTHFGHHXZGJ-QDLOVBKTSA-N	246.394	4.976	0	10	BJAE	
CCC[C@H](CC)CC(=O)CC1(C)CCCC1	1905443425	HTKAIIMRFZBDIQ-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H](CC)CCC)C1	1905446948	VOKSEZBWQNRVJO-HSBZDZAISA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCC[C@@H]2C[C@H]2C)CC1	1908544415	FMSZNAGJKJMJQV-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@H]1CCCCCCCC[C@@H]1O	1913398031	LXXFCZSTXJPPMU-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CC1(CN[C@H]2CCC3(CCCCC3)C2)CCCC1	1915872695	TZADYROSTAQUPS-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(O)CCC2(CCCC2)C1	1916444840	LYPZIPHQSPFEJM-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C1CC(CC)C1	1921273078	QJQSUSMJFSWADU-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCC1CC([C@H](N)c2ccccc2C(C)C)C1	1921293792	FRBPIEVTFCMZOO-KVULBXGLSA-N	245.410	4.636	0	10	BJAE	
CCCNCCCC[C@H](c1ccccc1)C(C)C	1921320020	LJFXQHOISJPMNG-KRWDZBQOSA-N	247.426	4.596	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H](C)C1CCCCC1	1924136657	UMBZYARKIOBBQB-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
CCC(CC)CCNc1ccsc1Cl	1926182771	OZQQSFZNQBSBNY-UHFFFAOYSA-N	231.792	4.640	0	10	BJAE	
CCCCCCC(=O)[C@@H](C)CCC(C)C	1928720689	GUOITAZXWRZOJY-ZDUSSCGKSA-N	212.377	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CCCC(C)(C)C	1936200086	YBLUGFKLGXPQKM-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1sccc1C1CC1	1937041210	JXAKTKVXJICIOY-SNVBAGLBSA-N	236.380	4.635	0	10	BJAE	
CCCC(CCC)C(=O)[C@H](C)CCC(C)C	1937170203	UODJGPBYNZLNAY-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
CCc1csc(-c2ccc3sccc3c2)n1	1938511371	XLIXPVVVCGCVHT-UHFFFAOYSA-N	245.372	4.587	0	10	BJAE	
CCN[C@@H](CC1CCC1)CC1(C)CCCCC1	1940409526	PDLPXBAZNGFXGX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CC[C@@H]1CC1(C)C	1940859115	MYSMSJXOJMQAOH-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(CCC2CCC2)C1	1941471683	GAGBJGMIOQVDLA-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CCC)CCCC1(C)C	1944484225	DEAYYLPOKHZAKY-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCCC1(O)CCC2(CCC2)CC1	1944599560	FDPBJEALULDXBS-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CCC[C@H]1C)CC(C)(C)C	1944790170	MEKYNWKOQVTFRS-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC[C@H]2C)C1	1944798074	WWOHFNHQPHOCFU-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCC1(C)CC([C@H](O)C[C@@H](C)CC(C)(C)C)C1	1948412632	GOLHPVAYSJNWIM-ILTLLKDXSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(C2=CCCCC2)CC1	1948968065	QYBDSBBRVDDMFH-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@@H](N)c1csc2ccccc12	1949000194	YXIMMLXXDADVHC-JRPNMDOOSA-N	247.407	4.583	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCC[C@H]1CC1(C)C	1949051833	RPZSOAKXEYIXPW-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCC(C)(C)[C@H](NC)C1	1949654703	WHVRLUZSKVTZPE-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CCC(C)(C)C(=O)C1	1949656892	UWKUHQGSYCWTOQ-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@@H](C)CC)C1(CC)CCC1	1951239463	REXKTWZZALWVHG-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1ccc(Cl)cc1Cl	1959212410	YFTYLHJRZCTSDP-GZMMTYOYSA-N	244.165	4.594	0	10	BJAE	
C1CCCC(CCN[C@@H]2CCCC23CCC3)CC1	1966249640	LOWBIAPOXLTLIT-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)C2CC3(CCC3)C2)c1	1968230750	VJPXCMCHSKPSCM-AWEZNQCLSA-N	243.394	4.684	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCCC2(CCC2)C1	1968251227	AONJCIOVRBYIFR-CQSZACIVSA-N	229.367	4.520	0	10	BJAE	
Cc1ccc(NC2CC(C)(C)C(C)(C)C2)cc1	1968261742	ZRNYUWUJCMJFOW-UHFFFAOYSA-N	231.383	4.622	0	10	BJAE	
Fc1cccc(N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)c1	1968262175	HARRXFTWLFLLGQ-YWVIFJGQSA-N	247.357	4.597	0	10	BJAE	
C[C@H](N(C)CC[C@H]1CCC[C@@H](C)C1)C(C)(C)C	1969040061	MXRXZXQHIGWVFH-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CCC[C@H]1N[C@H]1CCCC2(CCCCC2)C1	1969339322	FQTGFELFFMGAJP-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
C[C@H]1C[C@H](NC2CC3(CCCCC3)C2)CC[C@H]1C	1972429697	GOBMGWRMXDKLJI-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)C1(C)CCCCC1	1975572331	BAHGKSMCLKOWQC-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H](C)CC(C)C)s1	1978450520	QZTIKGFWCGJESA-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
CC=CCCCC(=O)C[C@@H](C)CC(C)(C)C	1984577357	DPKXFDYFKKHBRF-CYBMUJFWSA-N	224.388	4.764	0	10	BJAE	
CC=CCCC[C@H](C[C@H](C)CC)NCCC	1984615412	CWMFSXKEIKTILF-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCC/C=C/CNC1CCCCCCCCC1	1995866665	FQIGZRSRICKWPW-UUILKARUSA-N	237.431	4.825	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H]1CC[C@H](C)C1	1996233531	XBTCAEDIBVKGSP-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@]2(N)CCCC(C)(C)CC2)C1	1996266707	CWNDPHDFYMNCNA-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@]1(C)CC=CCC1	1997550518	GKYNAHYGSXMDDT-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@H]1CCCC(C)(C)C1	2000142273	CVPLXUGTEOXBPH-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C2(C)CCCCCC2)C1	2000214251	YFMDHCJVUADWIU-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@](C)(CCCCCC1CC1)C(=O)O	2000508834	KMIFLAGYRSXXBZ-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@]1(C)CC=CCC1)CC(C)(C)C	2001655365	XFSGIGZOMCDBNI-SQWLQELKSA-N	237.431	4.523	0	10	BJAE	
CCC1CCC([C@H](C)Nc2ccccc2)CC1	2002926905	RNAGZERXOPUAQD-NFOMZHRRSA-N	231.383	4.703	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(O)CCC2CCC2)C1	2002998716	NPDRFZJQEHEGKK-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2CCCCCCC[C@H]2O)C1	2003119464	VNUUVCFQEHMDMT-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CCCCC23CC3)s1	2005588909	IVSNMZIUCMAUBU-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CC[C@@H]1C[C@@H](CCC(C)(C)CC)C[C@H](NC)C1	2006633443	ZIRGQYNDABVKNL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1ccsc1[C@@H](C)Nc1ccc(CF)cc1	2007031929	UOJDOLZAHNEQEY-LLVKDONJSA-N	249.354	4.699	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@@H](C)CC[C@H]1O	2009419550	JVGDMNWEPKAJEQ-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)CCC2CC2)C1	2009717292	HKPCNOCVTOKZHB-JEYLPNPQSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@](C)(N)C1=CC[C@@H](C(C)(C)C)CC1	2010727988	BCRNDDSCEZRHSJ-CZUORRHYSA-N	237.431	4.523	0	10	BJAE	
FC(F)c1cccc(CC2CC(=C3CC3)C2)c1	2011087357	OBOSLZBDIXRJEF-UHFFFAOYSA-N	234.289	4.667	0	10	BJAE	
CC[C@H]1CCC[C@@]1(O)CCC(C(C)C)C(C)C	2015334104	FGXYAZOYMLHGGL-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@@H](O)C(C(C)C)C(C)C)CCC1	2015639403	GTAFRJVVRKQHTJ-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C1(C[C@@](C)(N)C2CCCC2)CCC1	2017129380	NWFMPHIVVAZBPC-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)CCCC2CC2)CC1	2017658303	LPWCETICEWDBQL-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C=CC=CCCC(=O)[C@H]1CC[C@H](CCC)CC1	2017663707	XIANAROFULWWLI-SHTZXODSSA-N	234.383	4.684	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H]2CC[C@H](CC)CC2)N1	2017736640	YODQXTCVJWEOBT-KLHDSHLOSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@@H]1C(C)C	2018133065	ZSWSHAFNHOUGEU-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)[C@@H]1C=CCCCCC1	2019120827	BGJCNAMZIYNTEH-LSDHHAIUSA-N	237.431	4.632	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@H](C)C1CCCCC1	2019412889	DEQHIYNAYJVKHA-HUUCEWRRSA-N	239.447	4.712	0	10	BJAE	
CC=CCCCN(CC(C)C)C1CCCCC1	2020537463	NQCVUTWHBFDKGY-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)CC1(C(C)(C)C)CCC1	2022417976	RXEWYZQSYYPKPX-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1CNCCCCCCC(C)C	2022491771	DTNPQTZEAKWJLM-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC=CCCC[C@H]1CC(C)(C)CC[C@@H]1NCC	2024126382	WSZZFRMAQBKAHQ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CC1CC1)NCCC	2026072820	FSIBHVGUCOBWIQ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCC[C@H]1C[C@@H]1C	2026165543	CHOQVLDJVAUCKN-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCC)C1CCCC1	2026170795	SLHJYZXYQDBTPH-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CCN1[C@H]2CC[C@H]1c1ccccc12	2027023701	OCJZUJQVXKHNIK-IRXDYDNUSA-N	241.378	4.625	0	10	BJAE	
C=CC=CCC[C@H](CC[C@@H]1CC1(C)C)NCCC	2027813333	VLMMDUCAHHOHEG-HZPDHXFCSA-N	249.442	4.703	0	10	BJAE	
CCC[C@@H](C(=O)C[C@H]1C[C@H]2C=C[C@H]1CC2)C(C)C	2028258006	OACJFIQJFPRDNI-CAOSSQGBSA-N	248.410	4.620	0	10	BJAE	
CC1(c2ccccc2NC[C@]2(C)CC2(C)C)CC1	2032245929	NITZWFDLNXFSPS-KRWDZBQOSA-N	243.394	4.586	0	10	BJAE	
C1CCC(CCNC2(C3CCCC3)CCC2)CC1	2033047734	AISLLFAGRJFKAF-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@H]1CCC(C)(C)C1	2033402477	PXWIAJIWPGNTGR-XJKSGUPXSA-N	245.410	4.636	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@H]1CCC1(C)C	2033561976	SXKFMARLGQUSAK-HZPDHXFCSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CC[C@H]3CCCC[C@@H]32)C1	2034255054	AHQMBCSQISRQGA-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)C(F)(F)CCCC3	2035243206	OCPGLRRDSJZTAI-UHFFFAOYSA-N	249.304	4.603	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@@H](C[C@@H]2C=CCCC2)C1	2035596504	CHZZOIBOXYTXAI-QBPKDAKJSA-N	249.442	4.524	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(C[C@@H]2CC=CCC2)C1	2037167578	YBKVPZCDNXKSAO-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H]([C@H]2CCC3(CCCC3)C2)CC1=O	2037856900	SHDNUNXCFHXIRW-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CC2CC3(CCC3)C2)C1	2038077599	AKTDOYVAXJBLBC-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCCC1CC2(CCC2)C1	2038097387	VSRYLXMLVHYPNK-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@H]1CC)c1ccccc1	2038139747	XXZYSVNXPLKDGE-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@H](C)CC1CCCC1	2039453902	WJRLLJNRTMNKQK-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
N[C@]1(C2=CCCCC2)CCCC2(CCCCC2)C1	2040765214	NCNHKRHLLJQTHI-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)CCC2CCC2)c1C	2042740576	ANUCFKAQIXUHTO-INIZCTEOSA-N	245.410	4.500	0	10	BJAE	
CC1(CNC2(C3CC3)CCCC2)CCCCCC1	2042947222	QEYGHDNVFAYECH-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CC[C@H]3CCCC[C@H]3N2)C1	2045504034	ILJBXSDPIDWGBC-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@@H]1C(C)=CCC[C@H]1C	2045746947	KVXSHJUZISLSDB-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1NC1CC2(CCCCCC2)C1	2046232574	ZZKZRHKOJBMBHG-ZBFHGGJFSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H](CC2(CF)CCC2)c2ccccc2N1	2046908082	IYRIASQYWBTFQS-OLZOCXBDSA-N	247.357	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(C[C@H]2CC23CCCC3)C1	2047009248	QCKHPQBOHJMPLK-PMPSAXMXSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@H]2CCC23CCC3)C1	2047932915	PYKIDLSZEPYVTE-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2[C@H]3CCCCC[C@H]32)CC1	2048386282	YNIVXSFJTRGKTD-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
O=C(CC1CCCCC1)CC1[C@@H]2CCCCC[C@@H]12	2048470637	UDYRPWKWZBVNIA-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(C(=O)[C@H]2CCCC(C)(C)C2)c1	2049516764	BSZYHZVMBNWGQN-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
C[C@H](N[C@H]1CC12CCCCC2)[C@H]1CCC[C@@H](C)C1	2049544706	VPDMODFBHCEWAY-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@@H]1CCC2(CC2)C1	2049861629	DPARZUXKLZHQAQ-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2CCC3(CC2)CC3)C1	2049966688	ZNSULFFUAGBGBK-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCC(C)(C)C1CC1)[C@@]1(C)C=CCCC1	2050000866	RXIHSVHBMOGYQN-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(NCC2(C)CC(C)(C)C2)c(C)c1	2050111462	VPBUJDHZRVOBDR-UHFFFAOYSA-N	245.410	4.850	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@H]2C=CCC[C@H]2C)C1	2055568219	SUTPKMKVFWJODZ-QZWWFDLISA-N	249.442	4.536	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2CCCC=C2C)CC1	2055672281	RCLUBVXKCYNOOV-ZACQAIPSSA-N	249.442	4.824	0	10	BJAE	
C[C@@H]1CC[C@@](C)([C@H](N)C=C2CCCCC2)C1(C)C	2056880588	CPDPSGAROLTOSV-UNEWFSDZSA-N	249.442	4.667	0	10	BJAE	
CC=CCCC[C@@H](N)c1ccc(CC(C)C)cc1	2059208585	XJCVKGCZPVJQNL-QGZVFWFLSA-N	245.410	4.631	0	10	BJAE	
CCCN[C@H](C1CC(=C2CC2)C1)[C@H](C)[C@H](C)CC	2061650774	OIQJXXAQIBODPB-XNJGSVPQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C1CC(=C2CCC2)C1	2061732863	ADWIHQOSVZFKMH-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC23CCC(CC2)CC3)CC1	2065263384	XWLOAPOQNINCKF-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cc(C)c(C)cc1N	2066077833	HBJZCMGRSVOHPX-CQSZACIVSA-N	248.414	4.512	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC[C@H]1C[C@H]2CC[C@H]1C2	2070412254	AQUJQIXNHMFYBF-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(NC[C@]23CCC[C@H]2C3)cc1	2070790186	OXYPXYMHYSIZKU-DOTOQJQBSA-N	243.394	4.631	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)C1(C)CCC2(CC2)CC1	2072423554	IEUNJNRKRLXOAI-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(CN)CC=CC[C@H]2C)CC1	2072799136	PNGXPNGKOULPBA-VQHPVUNQSA-N	249.442	4.524	0	10	BJAE	
CCCC1CCC(CC2=C[C@@H](N)CCCC2)CC1	2072811104	BIDDZGOKMWBXAR-DQPZFDDXSA-N	249.442	4.811	0	10	BJAE	
CCCC1CCC(C=C2CCCC[C@H]2CN)CC1	2072819894	UOZOQVCJLMBURX-DQPZFDDXSA-N	249.442	4.668	0	10	BJAE	
CCC1CCC(CC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2072875528	PDCLFDXINSEROR-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@]23CCCC[C@H]2C3)C1	2074025293	NMNPAIWXRNNZIM-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](NCC)C2CC3(CCC3)C2)CC1	2074646190	KADDUDOHMTVRFU-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@@H]1CCCC2(CC2)C1	2074800238	TUJDJCIYGYYIKE-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
CCC1CCC(N2CCCCC23CCCC3)CC1	2074861107	ZQSZDNGVMHSEFO-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
C1CCC(CCN2CCC3=C(CCCC3)C2)CC1	2074887744	FOVWFWZHRZXDAM-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCCC2)CCCC1(C)C	2075374257	WAMIDOWTIVJZHA-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@H]2C[C@H]2C2CC2)CC1	2079296587	RUUOWWABRAAAMW-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@@H]1C1CCCCC1	2079484327	HSFPJMDKDPNGAA-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)CCC[C@H]2CCCC[C@H]21	2081133528	RBOJWXAPLNBMIH-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@@H]1CCC=CCCC1)[C@H]1CC[C@H](N)CC1	2082138748	DYZQPVCRTURUEK-BRWVUGGUSA-N	247.426	4.587	0	10	BJAE	
CCC(C)(CC)C(=O)Cc1cc(C)cc(C)c1C	2082956923	ABMNSVBYHVIRNE-UHFFFAOYSA-N	246.394	4.550	0	10	BJAE	
CCC1CC(C[C@@H](NC)C2=CCC(C)(C)CC2)C1	2085000969	LKADMOGVOKAJHY-ZBCRRDGASA-N	249.442	4.537	0	10	BJAE	
Cc1ccsc1-c1ccc2cc(O)ccc2c1	2087916873	HTPPUAMZNALSJS-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
Cc1cc(-c2ccc3ccccc3c2)c(C)cc1N	2138949540	QRBYDMZTXSZMQE-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CC1(CC[C@H](O)CCCCCCC2CC2)CC1	2213580751	OMERIEIWNLYVFV-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCC(CCC)CNC1(C)CC2(CCC2)C1	2215352262	VZJIKZKVSFDYEZ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC1(C)CC(C)(C)C1	2215384183	DEPRAMMPDPSFNB-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)c2scc(C)c2C)CC1	2215819876	ZMAOGFGJZVTYLS-LSDHHAIUSA-N	249.423	4.501	0	10	BJAE	
CC(C)(C)CC[C@@]1(O)CCC[C@H](C(C)(C)C)C1	2216253980	WMQUUUYVLKOWOF-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@]1(CNC2CCC2)CCCC[C@@H]1C	2217127487	WSBSHNLCVXOULM-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)C[C@H]1CCC[C@H]1C	2217153219	KMDQAYKECZOVES-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218337805	ZIWVBXFGRUWFSP-XJIUQZFPSA-N	248.410	4.598	0	10	BJAE	
C(CCCCCC1CC1)=C1C[C@@H]2CCC[C@H](C1)N2	2218727976	XCNHONAWNFEAQA-CALCHBBNSA-N	247.426	4.578	0	10	BJAE	
CC[C@H]1CCC[C@@H](n2ccc3cccc(F)c32)C1	2220310258	DLDPHTKNURNUSW-GXTWGEPZSA-N	245.341	4.922	0	10	BJAE	
CC1(C(=O)C2CC(C(C)(C)C)C2)CC2(CCC2)C1	2221004462	FYHOJGYCKZKUDD-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(C[C@H](N)C2(C)CC3(CCC3)C2)CCC1	2221005683	IVCWDHOHTBUMOA-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC[C@]1(CC2(C)CC3(CCC3)C2)CCCCCN1	2221013875	OFOLLLKGFTYVJA-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H](CC)NCC[C@H]1CCCCC12CC2	2246645408	XFLAFPLGJCUIQQ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2CC(C)(C)CC2=O)C1	2246693666	JZSOTSIXRLKOMC-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCCC[C@H]1C[C@H]1C	2247159550	NTBFJDJEOVKMKO-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CCC[C@]1(C[C@@H]2CCC2(C)C)CCCCCN1	2247399171	OUQMOGRAGHEDCP-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@](C)(N)CC1CCCCC1	2247444690	NJRBCWCTYISSBF-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(N)C=CCCC1	2250476111	NJKXJXCRHVBCGE-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CC[C@@H](C)C1=O	2250490022	DYEXPIXXMFEPMO-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](NCCC)[C@]12CCC[C@@H]1CC2	2251106218	RCIKCBXDDIBDGP-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](O)(CCC2(C)CC2)C1	2251676789	YBDVWJBXDFMOHD-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](NCC)c1ccc2ccsc2c1	2253056344	HREPVIPGJYSOSN-CQSZACIVSA-N	247.407	4.742	0	10	BJAE	
CCC1(CC)CCN1CC[C@@H]1CCCCC12CC2	2253856518	QERBJLHWLGSUMA-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC[C@H]2CCCCC23CC3)C1	2253883465	JULPXPNFEJOMRS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@]1(CC2CC3(CCCC3)C2)CCCN1	2254082122	KMYNZCCHQKYARW-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
Cc1cc2ccccc2n1CCCC[C@H]1C[C@H]1C	2254535678	FKPQJQVTTWDELZ-HIFRSBDPSA-N	241.378	4.776	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)[C@H]1CC12CCCCC2	2254591834	MLHMRCCHNPJNHT-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)[C@@]1(C)CC=C(C)CC1	2255065213	VDGBPCRYANIPNI-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@@H](C)[C@@H]1CC1=CCCCC1	2255091343	JENWUBGIIPXQBE-TXCZRRACSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](CC2=CCCCC2)NC)CC1	2255140292	IADZBEKNUJFJJG-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C[C@H]1C[C@H]2C[C@H]2C1	2257304419	RCFAYXGBKMVYNP-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cccc(C2CCC2)c1	2259466210	YUVCHNYJEYPEOV-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)[C@@]23CCCC[C@H]2CC3)CC1	2260504197	DJMCCHVXLRYKID-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@]12CCCC[C@@H]1CC2	2260577610	GQQVXOCKPRPZBT-PBHICJAKSA-N	242.362	4.538	0	10	BJAE	
CC1(C(=O)C[C@]23CCC[C@@H]2CC3)CCCCCC1	2260652961	VRCJDYSHBMAHIF-RHSMWYFYSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CC([C@](C)(N)C[C@]23CCCC[C@H]2CC3)C1	2260680097	VTVAGWSBKZLKPK-IAOVAPTHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H]1CCNc2ccc(F)cc21	2261348536	MUTNOIDAXBZERZ-UPJWGTAASA-N	247.357	4.551	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H](O)CCC1CCCCC1	2298915400	IWWWEXSIDYUIGA-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@](C)(O)[C@@H]1CCC[C@H](C)C1	2300676498	PJICKMGPOHDGBR-IMJJTQAJSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@](C)(CO)C1CCCCC1	2300689281	WLKXRKLUGUYERM-INIZCTEOSA-N	240.431	4.782	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCC[C@@H](CC)CC1	2300689921	CRJFOVZRWPWAEN-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@H]1CCCC2(CC2)C1	2300690620	KSHDKJPGATUDDC-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)CC1CCCCC1	2300700259	KSGDQEMKSFMHPS-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCC(C)=CCN[C@H](C)[C@@H]1CCCC(C)(C)C1	2300862969	JNSMTKQFONKVEH-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@]1(CC2CCCCCC2)CCCCCN1	2301134590	ZXUNOWIYTQMSAY-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CC1(C)CCC[C@H](CC2CCCCCC2)[C@H]1O	2301137782	NGMWUIJCYDPBHR-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)[C@H](C)S[C@@H](C)C3	2301730572	SALJLMJGTXSGEC-QWRGUYRKSA-N	245.391	4.524	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@](C)(O)CC2CCCC2)C1	2302710732	STWOPUYYBCMLFI-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CCC(C)(C)C1	2302716403	NNGIGUIEYJICOI-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCC(C)=C(C)C1	2303579511	OENXKBNPNHGPDF-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CCC[C@@H](CC)CC1(CNC)CC(C)(CC)C1	2307844095	PXFQEFNQRPOAGU-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1C[C@@H]1C1CCCC1	2307926741	QLXATHUODBNAPV-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1	2309167298	XMTMXLURERASSP-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)C[C@@H]1C[C@H]1CC	2310963234	MDGGZBGTWISEEB-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@H]1C[C@H]1C1CCCCC1	2311526189	WMMKUHWLVXENIH-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCC1	2311608537	NIIULXCYCBUKHX-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1CCC[C@@H]2C[C@H]12	2312333034	VWBMBVWCBWGYAC-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2CCC[C@@H]3C[C@H]23)C1	2312671104	WBOYAOWPOSZDPY-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2	2312900085	NXEOFULVQATUPL-DDBYYKKRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313184724	KNKOWSYOKDEQEN-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)c1ccc(C)c(CC)c1	2314714380	YOBLTDIRQAGFDT-YOEHRIQHSA-N	247.426	4.644	0	10	BJAE	
C[C@H]1C[C@@H]1C(N)(C1CCCCC1)C1CCCCC1	2316417018	XFKMHDWYSOTNRE-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CNCC1(CC=C(C)CCCC(C)C)CC=CC1	2316489252	GFNZBFIAXYNLAN-UHFFFAOYSA-N	249.442	4.705	0	10	BJAE	
CCC1=CC[C@H](CC=C(C)CCCC(C)C)[C@@H]1N	2316535578	ICSOINAITWGHML-DLBZAZTESA-N	249.442	4.833	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(F)cc1C1CC1	2317071558	YEIDNFRJWRXVMB-MRXNPFEDSA-N	249.373	4.673	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@H](N)CCC2=CCCCC2)C[C@H]1C	2317908642	BBYWHFBVMQNUHI-JHNDHUHGSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccc(F)cc1NCCC[C@H]1C[C@@H]1C	2317923075	POJBKNVVPSQJDX-STQMWFEESA-N	249.373	4.797	0	10	BJAE	
C[C@H]1[C@H](Nc2ccc(C3(C)CC3)cc2)CC1(C)C	2318197714	PBPJGTCNEMJZLL-SWLSCSKDSA-N	243.394	4.585	0	10	BJAE	
CC[C@@H](NC[C@H]1CCC(C)=C(C)C1)C1CCCC1	2320232540	SBGCYWCZRWUADB-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H]2CC[C@H]2C(C)(C)C)c1	2320322625	NUPPDNLQCRZNER-GOEBONIOSA-N	245.410	4.788	0	10	BJAE	
CC1(C)CC[C@@H](CCNc2ccc(CF)cc2)C1	2321607369	DXXILPRZXBHMGA-ZDUSSCGKSA-N	249.373	4.784	0	10	BJAE	
CC1(C)CC[C@@H](CCNC[C@@]2(C)CC=CCC2)C1	2321614512	WAQUCVNHOXZQQR-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@]23CCC[C@@H]2CC3)C1	2321626899	VTVVEAREZWUEBL-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
Cc1cc([C@@H](N)CC[C@H]2CCC(C)(C)C2)oc1C	2321646337	WLDPATMOPYLLPO-KBPBESRZSA-N	249.398	4.503	0	10	BJAE	
CC1(C[C@H]2C[C@H]3CC[C@H]2C[C@]3(C)N)CCCCC1	2327773555	LOHDPULOULJDEE-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H]2CCCC[C@@H](O)C2)c1	2327783686	GBNFFMQCLLTGSH-LSDHHAIUSA-N	246.394	4.527	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1cc(C)c(C)cc1C	2328212085	DMOMEVLZKZTXSW-RDJZCZTQSA-N	248.410	4.862	0	10	BJAE	
CCCCCC[C@H](CCCCC)NCC	34617956	WEHCTRJLPBOYNH-AWEZNQCLSA-N	213.409	4.515	0	10	BJAE	
Cc1c([C@H](C)N)sc2ccc(C(C)(C)C)cc12	34975134	GLMDLLBRCNNMOH-JTQLQIEISA-N	247.407	4.527	0	10	BJAE	
CN[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C	35117423	YGOPWHVDBUXPGA-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@H](c1csc2ccccc12)C(C)C	35583997	OVNAIPFDVWUEMU-HNNXBMFYSA-N	247.407	4.598	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)c1ccc(C)cc1C	36792368	VCWLGHWVASOMOM-HZPDHXFCSA-N	247.426	4.923	0	10	BJAE	
Cc1cccc([C@@H](C)NC2CCCCCCC2)c1	37199295	KPFDSYRAXXMPRE-OAHLLOKOSA-N	245.410	4.759	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H](C)c1ccc(C)cc1C	70105798	MMCLXOIBGIMCDK-ZBFHGGJFSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)c1cccs1	71085132	NJYKLXIGSANGKQ-QWHCGFSZSA-N	239.428	4.615	0	10	BJAE	
Cc1cccc(-c2ccc3ccccc3c2)c1	79753706	BIVPIMACCSUDCD-UHFFFAOYSA-N	218.299	4.815	0	10	BJAE	
CCC1CCC([C@]2(O)CCC[C@H](CC)C2)CC1	85078092	XBKAKKBJXXMOQL-GRAKBVBRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)CCNCCC	87950050	DRGQCTUBILJWCK-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CCCCCC1(C(=O)O)CCC(CCC)CC1	87962362	SGRIZJNNIXPGIG-UHFFFAOYSA-N	240.387	4.628	0	10	BJAE	
CC[C@H](C)c1cccc2cc([C@@H](N)C(C)C)oc12	88074864	HXWTWWMZZLWXSD-NHYWBVRUSA-N	245.366	4.602	0	10	BJAE	
CCCC[C@@H](CC)c1nc2cc(C)c(C)cc2[nH]1	103934684	AGKNOROTRLAFPX-CYBMUJFWSA-N	244.382	4.864	0	10	BJAE	
CCc1ccc(NC2CCC(C(C)C)CC2)cc1	109757016	IPIRSYDZBKAFOQ-UHFFFAOYSA-N	245.410	4.876	0	10	BJAE	
CCC[C@H](CC)N[C@H](c1ccccc1)C(C)C	109944236	KTRYVKXVHZBJKN-HOTGVXAUSA-N	233.399	4.552	0	10	BJAE	
CCCC[C@@H](C)N[C@H](c1ccc(C)cc1)C1CC1	109946280	ZXMNLQIYVIBGRP-RHSMWYFYSA-N	245.410	4.614	0	10	BJAE	
C=Cc1cccc(-c2cccc(C=C)c2)c1	114153504	ZOSCQQUPPWACQG-UHFFFAOYSA-N	206.288	4.640	0	10	BJAE	
CC[C@H](C)c1csc(-c2cc(C)cc(F)c2)n1	132203611	MVCGJWIHMBOTEC-JTQLQIEISA-N	249.354	4.771	0	10	BJAE	
c1ccc2sc(C3CCCCC3)cc2c1	146445310	FASFHWNACSJPRW-UHFFFAOYSA-N	216.349	4.949	0	10	BJAE	
CCCCCCC(=O)c1cc(C)cc(Cl)c1	164725367	JGUWQINCFZNCEH-UHFFFAOYSA-N	238.758	4.802	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CCCC[C@H]1CC	165745690	AIKDKGCNKBGOLF-GDBMZVCRSA-N	244.378	4.648	0	10	BJAE	
CC(C)CCC[C@](C)(CNC(C)(C)C)C(C)C	166106771	LKEYOQLJIVJWJB-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@@]1(C)CC[C@H](NCCC)C1	167127936	ZBJAGNZLZFINED-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CC(C)c1ccc(C(F)(F)C(C)C)cc1	200623315	RPNCAKHMJPXHFZ-UHFFFAOYSA-N	212.283	4.558	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1C[C@H](C)CC(C)(C)C1	212687065	HEAMUICFSNSULZ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCC[C@@H]1C(C)C	214953869	VYUVYRXNMDVHFD-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CCCCCCc1ccc(N2CCCCC2)cc1	223009623	VPZIQHLOFCXDJK-UHFFFAOYSA-N	245.410	4.800	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@@H]2CCCC2(C)C)cc1	226560491	FPXLUJJQIGWLSO-HOTGVXAUSA-N	245.410	4.636	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@@H]1CCC[C@@H](CC)C1	226995895	GFFUIFSXEZGXAG-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
CCC(CC)C[C@H](C[C@@H](C)CC(C)(C)C)NC	229164935	WPTNHDGEFYYNOI-HIFRSBDPSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CCC1CC1)CC1CCCCC1	229551870	GXNPCJVHXDBOCC-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cc(Cl)ccc1C	229616344	KQCKIYHSVLUZEZ-YPMHNXCESA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@H](N)C1=CCCCCCC1	232943088	ZQOJRHLQVHWVIU-HNNXBMFYSA-N	223.404	4.565	0	10	BJAE	
Cc1csc(C(=O)CCC(C)(C)C)c1Cl	235825942	VCQJURLNAQQCCU-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
CC/C(=C/[C@@H]1CCC[C@H](C)C1)CNC(C)(C)C	252611096	VFDLSAZQCXUAIE-PGLBUVMCSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C[C@H](C)C(C)(C)C	252895199	AECPJWZQYZUGHI-KKUMJFAQSA-N	241.463	4.993	0	10	BJAE	
Cc1cc(C(C)(C)C)cc(C)c1-c1nccs1	259344801	TWHQCSUIHZOTFS-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)[C@H]1CCCC1(C)C	302351506	WOQSWWIGXPHIQZ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1N[C@@H](CCC)C1CC1	305990266	FBYQEBBDIIBDBN-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
CSc1c(C)ccc2c(Cl)csc12	306827108	CUHOPJQBBCENGC-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1ccc2sc(Cl)cc2c1SC	306911980	LUYVCXKTAANQHE-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCCCCC(=O)CC1CCC(C)CC1	309479734	WLOZELDKHRZLDK-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CC1(C)CCCC1	310385453	JZJTUJRAARQBSF-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCC1(C)CCCC1)c1ccccc1	311233541	RXLHEVAWPRKXAY-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCNC[C@@]1(CCCC(C)C)CCCC[C@H]1C	317381779	HLUZLFHNCBXGRG-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CC[C@@](CNC2CC2)(CC2CCCCC2)C1	318171852	IJCXJJIBFTWQIR-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(CC)(CC)CNCC(C)C	319090979	CKDPPICKPPXINF-CABCVRRESA-N	241.463	4.721	0	10	BJAE	
CCCCC1CCC([C@H](N)[C@@H](C)C(C)C)CC1	319691166	WLYARABCDUMREA-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CCCCC1(CNCC(C)C)CCCCCC1	319698077	MMQBUGNJUYUFKU-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)c1cc(C)cs1	379084534	YVFGOZRZVHHUIB-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CCc1cc(N[C@@H]2C=CCCCCC2)ccc1C	380703648	XYSXZKBILQIEAT-MRXNPFEDSA-N	243.394	4.858	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)c1csc(C)c1	381638012	WOLLOBNDZSDVGK-NWDGAFQWSA-N	239.428	4.532	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CCCCCC(C)C	383135866	DOBNMWMFBOWEHG-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)c1csc(-c2ccc(F)cc2)n1	384007781	PKSGOGNVNBMZHH-UHFFFAOYSA-N	249.354	4.637	0	10	BJAE	
CC[C@@H](Nc1cccc(Cl)c1)C1CCCC1	387714484	ZMRLPPVWLYDNCZ-CQSZACIVSA-N	237.774	4.721	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@@H]1C[C@@H]1CC	387813711	OJQFYWOBHYUXOB-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H](N[C@H]1CC2CCC1CC2)C1CCCCC1	394332112	SPYJAFAMIRPQJA-BNICSPFPSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@H](O)CCCCCC(C)C)c(C)c1	394860812	LWLNXOXBWZBSGV-QGZVFWFLSA-N	248.410	4.943	0	10	BJAE	
C[C@@H](Nc1cccc2ccsc12)C1CCCC1	395385077	TWFPKJGGZDWLRY-LLVKDONJSA-N	245.391	4.892	0	10	BJAE	
CCOc1ccc2sc(CC)c(Cl)c2c1	396191235	OUZUQBKGIOLPRP-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1ccc(CC)c2c(Cl)csc12	396197899	ZJTCWZWUBPGNAO-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CSc1c(C)cc2sccc2c1C(F)F	396401888	FUZIGWKYICJSDD-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@@H](C)C(C)(C)C	399087870	AJXWRZZHTZYVSN-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](O)C1CC(C)(C)CC(C)(C)C1	688315282	CSJUQAHVQACCHN-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccccc1[C@]1(O)CCCCC[C@H]1C	691039653	PUWFYKOIERCYAR-PBHICJAKSA-N	246.394	4.598	0	10	BJAE	
CCc1ccc(NCC2(C)CCC2)cc1Cl	691264848	LUCZONVTIQBCRI-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)C1CC(C)C1	691900378	CDFPDXSLGWRPHP-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC1(CNC)CCC(C)CC1	696798602	CQAIYPQVHGHOTE-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C(=O)C(C)(CC)CC)c1ccccc1	701371627	QLHLMSINECGZLB-CQSZACIVSA-N	232.367	4.576	0	10	BJAE	
C[C@@](N)(CCC1CCCCC1)[C@H]1C[C@H]2CC[C@H]1C2	704443871	UPQPMRYUUCYGNG-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@@]1(N)CC1CCCCC1	704466063	PJFPLFNVXUIXQI-USXIJHARSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H]1CCCC[C@@H]1C	704825123	SRPUVQBSYBHVTQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@H]1CCCC12CC2	706307819	DAXPDQHRVGEOTM-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC(C)(C)C)C(C)(C)CC	708286813	MNQWDLVXLINPCI-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCc1ccccc1N[C@H](C)[C@@]12CCCC[C@@H]1C2	709117897	ZDRUMACFIZFRKU-UNEWFSDZSA-N	243.394	4.630	0	10	BJAE	
CCC[C@@H](CNC(C)C)C[C@@H](C)CC(C)(C)C	709128571	SBAIOBPIMRUJDJ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)[C@@]12CCCC[C@H]1C2	709231379	YEAPTAWKJSSUFV-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](NC[C@@H]1CCCC2(CC2)C1)C1CCCC1	709974821	JBQSWUJMRULDGR-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(C)(C)CCNC(C)(C)C)C(C)(C)C	711131810	YELPNQYYZCSFOC-CYBMUJFWSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](N[C@H]1C[C@H]2CC[C@H](C2)C1)C1CCCCC1	711165484	DECPWQSWAHCMJM-YALNPMBYSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@@H](C)CC(C)C)C(C)(C)C	711183235	VLQHFCHNHFSPMC-RRFJBIMHSA-N	242.447	4.882	0	10	BJAE	
CC[C@@H](C[C@H](O)c1ccc(C)s1)C(C)(C)C	711210008	GUFHEBSHESZCRB-RYUDHWBXSA-N	240.412	4.552	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2C[C@@H]3CCCC[C@H]32)c1	712383987	HGOZOFXMNUTAET-OUCADQQQSA-N	249.785	4.639	0	10	BJAE	
C(CCC1CC1)CN[C@@H]1CCC[C@H]2CCCC[C@H]21	714256668	MWVXCJZMYOWMEC-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CC1CCCCC1	720975878	CIMDIYJPBCKRPO-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc(C2CC2)s1	721730325	GARHEZBKIWLONA-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	723130679	JBZPOYGEVFYMJJ-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC2(CC2)C1)C1CCCCC1	723559148	FFWIRMMAEFGGEH-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCc1cc(N[C@@H]2CCCC3(CC3)C2)ccc1F	723562644	BGPTWEKMEMKJEJ-CQSZACIVSA-N	247.357	4.523	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C1CCC2(CC1)CC2	829156290	PIMJRQZKFYJONW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2ccccc2c1CSC1CCC1	1459095156	HCPRQCFCMQRVAA-UHFFFAOYSA-N	242.387	4.934	0	10	BJAE	
C=C/C=C\CCN1CCC[C@H]1CCC1CCCC1	1642285101	IRAVPCFLQTUZFH-LIMHQNJXSA-N	247.426	4.554	0	10	BJAE	
CCC[C@@H](C)N(Cc1ccccc1)[C@@H](C)C(C)C	1880409209	JWGMLXLCUBACKL-CVEARBPZSA-N	247.426	4.722	0	10	BJAE	
CCC(CC)CC[C@@H](NC)c1ccsc1C	1900696877	MHGWKBVEVGZGNH-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@H](C)[C@@H](C)C(C)C	1901624910	KLYCKLWEUKXZQR-QWHCGFSZSA-N	226.404	4.700	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H](C)[C@@H](C)C(C)C	1901645340	XJUBVGMKUZDJII-ZNMIVQPWSA-N	228.420	4.636	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1cc(F)cc(Cl)c1	1901713145	ZSGNQVMSVCJXNG-VHSXEESVSA-N	243.753	4.572	0	10	BJAE	
CC(C)CC(N)(CCC[C@@H]1C[C@@H]1C)CC(C)C	1908576244	BHCWBQXRDVKPQA-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CCC[C@@H]1C[C@H]1C	1908812570	VSLPJOHLMGECDW-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1C[C@H]1C(C)(C)C	1910820626	ITTCFPAVFOBXTQ-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CCC=Cc1ccccc1)NCC	1912042614	YQCZNOCEHVTNDX-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
C[C@H](C=C1CCC[C@@H]1[C@H]1CCCCN1)C(C)(C)C	1912060977	RUKUIJPNMMWLPC-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCCNCCC=C(C)C[C@H](C)c1ccccc1	1912079595	HVFLRJPVNJSZRH-INIZCTEOSA-N	245.410	4.516	0	10	BJAE	
Cc1cccc(NC2CC3(CCCCC3)C2)c1F	1912709859	CWJJLXKZJIZPAW-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CCCC[C@@H](CC)CC1(CO)CC(CCC)C1	1921168821	FXOKCNVXDYSEAE-QQFBHYJXSA-N	240.431	4.782	0	10	BJAE	
C[C@@H]1C[C@@H](CC[C@H]2CC2(C)C)Nc2ccccc21	1921558639	QCUDMGHZEGJUJZ-HZSPNIEDSA-N	243.394	4.801	0	10	BJAE	
CNC[C@@]1(CCCC2CCC2)CCCC12CCC2	1921594772	IOTSHKHYEPITDB-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
O[C@H](CCC1=CCCCC1)[C@@H]1CCCC12CCC2	1921606756	TXMWXVVUUJZKFV-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@@H]1C=CCCCC1	1925738258	TXJDHBDKZKPTQY-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)CC(C)(C)C1CC1	1925923594	NWGKFPHLKDQHBT-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CCC(CC)CC)NCCC	1939112570	ROOOIUFEQYXBFR-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@]1(N)CC1(C)CCCCC1	1940409092	WHJXSRFXZYQPSD-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@H](O)CCCC1(C)CC1)CC(C)(C)C	1940874204	DPUPYOIUASWNKW-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NCC)[C@H](C)CC(C)C	1941265245	UYMMRCUGMRAEHX-OAGGEKHMSA-N	241.463	4.719	0	10	BJAE	
C[C@H](C[C@@H](O)CCCCCC1CC1)C(C)(C)C	1941573870	UHBHQPBUJHCFDW-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CN[C@H]([C@@H](C)CCC(C)C)[C@H](C)CC(C)(C)C	1942654737	CUXQXRNLEFVESZ-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](O)CCC2CCCCC2)C1	1945580982	BVWVTZNGQWROGK-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@@]1(N)CCCC(C)(C)C	1947454920	BODKVHZOUSYIEM-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CC12CCCC2)CC(C)(C)C	1948079091	BQFVYXNRMYWGMB-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1CC(C)(CC)C1	1948406622	CPBVBBKGGYWWLB-REWIBIJMSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCC1(CNC)CC(C)(CC)C1	1948407072	JPNVOADJBYGPQH-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC1(C)CC([C@H](N)C[C@@H](C)CC(C)(C)C)C1	1948409776	UQGRFTAZHRFEQW-ILTLLKDXSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C1CC(C)(CC)C1	1948412143	CYLKNBKLWBMPGI-CIDNJEQPSA-N	239.447	4.617	0	10	BJAE	
CCNCC1(CCCC(C)C)CC(C)(CC)C1	1948412988	LASYLLFLMPQIOI-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC(N)(C2=CCCCCCC2)CC1	1948952160	UJAZPSDUKRDJRO-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCC[C@](N)(CCC[C@@H]1CC1(C)C)C1CCC1	1949053206	FTIHZRITUAJQRE-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(C2CC(C)(C)C2)CC1	1949156405	WEOXEHWGZIXGSM-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C(=O)[C@H]1CCC2(CCCC2)C1	1949501349	LTVUQVVBOYPMDX-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@H]1CCCC[C@H]1C)C(C)(C)C	1949829845	DHSKRPZXECVBQW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CCCC1)CC(C)(CC)CC	1949863676	FQEJOXAASJGZQK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC1(CC)CC(NC[C@H]2C(C)=CCC[C@H]2C)C1	1963182661	NFTNGPFEJBEELH-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(Nc2ccccc2Cl)C1	1968257294	VPMMMZFCLVPCGI-UHFFFAOYSA-N	237.774	4.577	0	10	BJAE	
CCCC[C@H](CC)CN1[C@@H](C)C[C@H](C)C[C@H]1C	1970139381	UGCKYNNFDLRWBS-JONQDZQNSA-N	239.447	4.712	0	10	BJAE	
Cc1cc(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)cs1	1980276897	NLICIOQOQUQCCW-RAIGVLPGSA-N	237.412	4.683	0	10	BJAE	
CC(C)=CCC[C@H]1CCCCCCCC1=O	1980316819	ABJWGZXZDKXIFK-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
CC=CCCC[C@@H](NC)C(CCC)CCC	1984629718	KHWYURDCZFASBL-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](CNc1ccc(C)c(Cl)c1)C(C)C	1988766922	HEDKJQOWDBCTFE-GFCCVEGCSA-N	239.790	4.743	0	10	BJAE	
CCC[C@@H](N)CCCC1CCC(CC)CC1	1989821029	ISMXUKNWTDYVNN-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](CC)CCC	1990763633	YIIBUQAPYJYPPT-GJZGRUSLSA-N	227.436	4.713	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1C[C@@H]1CCC	1993000255	RTXKDLZFIYPXAN-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C1CC(CC)C1	1995204768	REHUBFZWSPEFHH-HSBZDZAISA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)C(C)(CC)CC)CC1	1997104203	JJIDSKDKVKZTME-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@]1(C)NCCC1CCCCC1	1997341793	PLEFVNDROJFLHE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C(C)(C)CC)[C@]1(C)CC=CCC1	1997544842	XHWLDIBVARLCRW-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@]1(C)CC=CCC1	1997545342	BSBCZSMYQJWLTG-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CCC1CCC1)CC1(CC)CCC1	1998032835	UOJIJOATJTXNLE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)C[C@H]1CCC=CCCC1	1999978855	JRALRCOCDVSFHZ-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@@H]1CCC[C@H](C)C1	2000505071	NQDODQDJHCBFQB-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CCCN(CCC(C)=C(C)C)CC1	2000905491	CHMWVVZYRGXVRA-MRXNPFEDSA-N	237.431	4.635	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1CC12CCCCC2	2001259375	NDXMKLBJIJLHON-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1CC12CCCCC2	2001261154	ZKCIBRZBZQFUEH-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCC(O)(CC)CC[C@@]1(C)CCCCC1(F)F	2002575947	IQEISDSNQGGHAP-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@](C)(N)C1CCCCC1	2002920555	GCENLPQHOGRQQZ-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)[C@@H]1CCC[C@@H](C)C1	2003020426	OJNDVTCKLMKVEB-APIJFGDWSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C1(O)CCCCCCCC1	2003117443	CDTAFINDZVRMKM-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)C1CC=CC1	2005782767	LJMQVQDNDYSMHO-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)C1(C)CCC(C)(C)CC1	2007697837	QMTWCPHBSXHSGN-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](NC)C1(C)CCC(C)(C)CC1	2007699097	VVDZLACVWVGKLO-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](C=C1CCCC1)C[C@H](C)CC(C)(C)C	2007939045	DDIOBBRGYMGGCW-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C(C)(C)CC	2007941262	ZSPUPOGMUSGRDW-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@@H]1CCC[C@H]2C[C@H]12	2008277611	LIGVMKZFPVBKCL-KCQAQPDRSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCN[C@H](C)[C@@H]1CCCC(C)(C)C1	2009590245	QZPWPVOUKHWART-XEVLESSRSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](CC1(C)CCCC1)NCC	2009619501	LZGRRKIBOFYLRB-CSPWOOARSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@H](C)CC(C)(C)C)NC	2009619565	MSISBEZFSRDJBI-JSMHICHCSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@@](N)(CC)C1=CC[C@H](C(C)C)CC1	2010735321	BYRQWDWXDDBAQV-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CCCCC(C)(C)N[C@H](C)[C@]12CCCC[C@H]1C2	2013529340	WECGRLZQQOHPME-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC([C@](C)(O)C2(C)CCCC2)CC1	2014327386	XYDGHRHHGSIXQB-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](O)c1cc2ccccc2s1	2015278305	NBLRQWQOMSGACG-AAEUAGOBSA-N	248.391	4.617	0	10	BJAE	
CC(C)C(CC[C@H](O)CCCC1CC1)C(C)C	2015338014	FMHVOMGBHFNLBC-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CCN(C)C1CCCCC1)C(C)C	2015390581	NHATYGGJQSGPEN-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCCC1(C[C@@](C)(N)[C@H]2CCC2(C)C)CCC1	2015597888	MKXRJLNJOYJTCL-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@H](C)C(C)(C)C)CCC1	2015643764	GJWMGVVQDSFWBH-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)C1(C(C)(C)C)CCC1	2017131114	LLTSBWMNQJISMW-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@H]1C)CC(CC)CC	2017234560	AIEPNOKEYUMSNY-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(C)(C)C[C@@H](C)O)CC1	2017724613	HMKCZZHUKCICQN-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(C[C@](C)(N)CC2CC2)CC1	2017728071	HFDAENGUKLQCCW-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCCCCCN(C)[C@H]1C[C@@H](C)CC(C)(C)C1	2019291996	UZTUERNNSQODHX-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCC(C)(CC)CN(C)CCC1=CCCCC1	2019342572	OVBLCOGDUAMDFA-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CN[C@@H]1[C@@H](CCC(C)=C(C)C)CCCC1(C)C	2020360454	GGWXCRZWULRUTN-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C2=CCCCCCC2)C1=O	2020394487	YVDXFCNIDAJZRE-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccccc1C1CC1	2021026322	QHUIQQWCRIEIRP-LBPRGKRZSA-N	231.383	4.801	0	10	BJAE	
CC(F)(F)CCCCC(=O)[C@]1(C)C=CCCC1	2023345934	MBERNUKNHOOTGO-CYBMUJFWSA-N	244.325	4.518	0	10	BJAE	
CCCC[C@H](NCCC)c1ccc(C2CC2)cc1	2028589826	DJHPYKONGUEIQD-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CCCCc1ccc(NC2C[C@H]3CC[C@@H]3C2)cc1	2029081439	SROBQQWNLAZBCQ-HUUCEWRRSA-N	243.394	4.630	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1C[C@@H](C)c2ccccc21	2029967902	WYXXSYKVNSHVOG-VBQJREDUSA-N	245.410	4.651	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	2032516170	XGRWCDJMHRGXLR-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC1(CN[C@H]2CCCC3(CCCC3)C2)CCCC1	2034362280	INIOFZQVRYDPHQ-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCOc1cccc(N[C@@H](C)[C@@H](C)CC(C)C)c1	2036382479	LXXBRTCBCPVGLW-KBPBESRZSA-N	249.398	4.568	0	10	BJAE	
C1=C[C@H](CN2CCCC23CCCCC3)CCCC1	2036782121	XTWIPCSHDOGJPU-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
C=CC=CCC[C@@](C)(N)c1ccc(C(C)C)cc1	2037132459	ZQJRJEUPVKCZRN-QGZVFWFLSA-N	243.394	4.506	0	10	BJAE	
CCNC[C@]1([C@H]2CC[C@H](C)C2)CCC=CCCC1	2037697562	HUUFEQMJYKJNNK-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H]1CCCC[C@@H]([C@H]2CCC3(CCCC3)C2)C1	2037698422	NNZHLTKHBFEKRC-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2CCC3(CC3)C2)CC1	2038572048	NZQGPTBZTBOSSA-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](N(C)C1CCCCCC1)C12CCC(CC1)C2	2039858065	XCSSEYIFGOLRDL-HPUBIQBYSA-N	249.442	4.610	0	10	BJAE	
C[C@H](CCC1CC1)NC[C@@]12CCCC[C@@H]1CCC2	2040320792	BABFTZVUVYRWAC-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC[C@@H]2CC=CCC2)CC1	2041385456	BQBNIRYKHQZMIP-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@@]1(C)CC=CCC1	2042023698	DSFKBRBIIAHWDJ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCNCC1(C[C@H]2CCC=CCCC2)CCCC1	2045321031	RQXBQMJBZWSMPX-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
C[C@H]1CCC[C@@H](N2CC=CCC23CCCCC3)C1	2045522872	SLSRHXJQJMMCFR-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@H]1CC(C)=C[C@H](C)C1	2045697441	ZAQUVRZXTMLLGV-IAOVAPTHSA-N	249.442	4.537	0	10	BJAE	
c1cc(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)cc(C2CC2)c1	2046487069	XIZZNHVGZDHGKM-QLPKVWCKSA-N	241.378	4.555	0	10	BJAE	
CCC[C@H]1CCCN(C[C@@H]2C=CCCCC2)CC1	2046575901	WBBJYJUYKFJDQD-DLBZAZTESA-N	249.442	4.635	0	10	BJAE	
CC(C)(C)C1CC([C@H]2CCNc3ccccc32)C1	2048633789	LJVRTPMUWSUANR-JXQTWKCFSA-N	243.394	4.658	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2CCC3(CCCN3)CC2)C1	2048950074	FYFQJIKRYRMBBT-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)[C@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2049212871	VZZDYZKILJUPPN-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CCCC2(CC2)C1)C1CCCC1	2049860697	BWDAHYHQPNCMLG-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@@H]1CCCC2(CC2)C1	2049955965	ZDWMFWLBMRXDJI-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC1(C)C)[C@@]1(C)C=CCC1	2050007464	PZFLNQBKUVKLCQ-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCN(C)[C@@H]1CCCCC12CCCCC2	2051390373	RIQZZZSIBTWYAI-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)C1(C2CCC2)CC1	2051903787	YAHHLFZZFMGOJJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C1(C2CCC2)CC1	2051904186	BEWPBFSWOBTXFU-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@H]1CCCCC12CC2	2053347013	RQLCVFKGBCFVNG-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@]2(CNC)CCCCC23CC3)CCC1	2053355532	JJBKFDQQDHIEOG-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@@H]2CCCCC23CC3)C1	2053434125	OGCWYZPFVALPMB-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC)C[C@@H](CC2CC=CC2)C1	2055030230	JMZFYFKGOHSIMT-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@@](N)(C[C@@H]2CC23CCCCC3)CCC1	2055595795	GMQCPSOGPUHKAB-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CCC[C@@](N)(CC1CC(C2CCC2)C1)C1CCC1	2056639972	LBIZQDPCDJQWTD-PUJMQQBBSA-N	249.442	4.501	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2056783843	ZOJYWVOERJQCFU-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1CCC[C@H]2C[C@@H]21	2057361163	NZMYYTPTPXNZDP-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(N[C@H](CC)c2ccco2)C1	2059496862	FXGRFVJPZUNBIG-YMAMQOFZSA-N	249.398	4.679	0	10	BJAE	
CC(C)c1ccc([C@H](N)C2=CC[C@@H](C)CC2)cc1	2060914368	RFUFCZHDVVJGSP-CXAGYDPISA-N	243.394	4.556	0	10	BJAE	
CCC1=CCC[C@]1(O)C1=CC[C@H](C(C)(C)C)CC1	2061082249	UOXZBIWPKFGFDY-WMLDXEAASA-N	248.410	4.620	0	10	BJAE	
CCCCCC[C@H](C)NCC1CC(=C2CCC2)C1	2061642440	XXIMLWWPBHUQMH-AWEZNQCLSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2CC(=C3CCC3)C2)C1	2061731513	UNPJWTNBYYONPN-GXTWGEPZSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2CC(=C3CCC3)C2)CC1	2061737308	PXOZMUQKVDGLOJ-DYVFJYSZSA-N	247.426	4.565	0	10	BJAE	
CC(C)(CC(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CC1	2063417555	DDDNCVSQXLZLLE-ZSOGYDGISA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@@H]2CCC[C@@H]2C1)CC1CCCC1	2063499498	BAEVIRSOWLPBMY-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC12CCC(CC1)C2	2065273794	APFMZUJLEAJIMZ-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
CC1(CN[C@@H]2CC[C@]3(C)C[C@@H]23)CCCCCCC1	2065665847	XPLPYFAEANIKKD-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CNC2CC2)CCC1(C)C	2068230854	SVQNCYJQPHGJAB-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CC(=O)C2C[C@@H]3[C@@H](C2)C3(C)C)CCC1	2069279287	UWMLGDRXRWJXKA-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@]2(CN)CCCC23CCC3)CCC1	2069344120	HOXATXCQHWZRAU-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CCC1CCC(C[C@]2(N)C[C@@H]3CCCC[C@H]32)CC1	2072806410	LQUNWBIJDQUPEX-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@]23C[C@@H](C)[C@H]2C3)CC1	2072879395	UGGYONKJSZQIGR-IETPZCKNSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)c1cccc(C(C)C)c1	2073348846	WKAUFMYPVGYUDE-QGZVFWFLSA-N	247.426	4.954	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@]12CCCC[C@H]1C2	2074025183	MSSCLZMODIVCDV-QZWWFDLISA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCCC[C@@H]2C2CCC2)C1	2074895453	IPCIJYRYFCLQMY-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC[C@@H]1C1CCCC1	2074897795	YHDHMKSBQSRKSY-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
C1=C(CCN2CCC23CCCCCC3)CCCC1	2075147762	KFCYURPIMXYUFG-UHFFFAOYSA-N	247.426	4.676	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)C[C@H]1C[C@@H]1C1CCCCCC1	2079863658	KHMQOHHXCJCFSC-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H]1[C@H](C[C@@H]2C=CCCCC2)CCC[C@H]1C	2082838375	RDMPPLRCUZAKQE-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CNC3(CCCC3)C2)C1	2082977262	XUVNRXRRKWNAGP-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1cccc(C(C)(C)C)c1	2083544993	GABIXSFFLCNZEE-HNNXBMFYSA-N	247.426	4.810	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N[C@@H]2CCCCCC23CC3)C1	2085309000	WXILQDPDCDPYAH-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
c1ccc(-c2cccc(NC3C[C@H]4C[C@@H]4C3)c2)cc1	2097009785	HTZTZNHILAFVJC-HZPDHXFCSA-N	249.357	4.564	0	10	BJAE	
CC(C)(C)C[C@H](N)CCCCCCC1CC1	2210525518	RGOGCTXMOTXAPA-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC(C)(CN)CCCCCCCCC1CC1	2212463579	RFJATIKAKPFYFP-UHFFFAOYSA-N	225.420	4.502	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](O)CCCCC1CC1	2214565213	KYBOXKDBKCGBQR-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C1CCCCCC1	2214586201	VFJZCFUTEOFWBV-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCSc1ccccc1NCC[C@@H]1C[C@@H]1C	2215314052	RLSGZKUDISITQS-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@H](C)CC(C)C)CC1	2215801546	JKWPIWGVHOFNFF-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H](C)[C@H](N)CCCCCCCCC1CC1	2216875904	ABUFSJRRKLYKNT-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CN(CCCCCC1CC1)C[C@@H]1C=CCCCC1	2218672551	DODMPFYZVYIQTM-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1CCC12CCC2	2218719087	VJXPJMTYZWIQGL-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C(=Cc1ccccc1)Cc1cc2ccccc2o1	2219077769	GLVXZXBMDPVBKY-UHFFFAOYSA-N	234.298	4.689	0	10	BJAE	
Cc1cccc([C@H](N)CC2(C)CC(C)(C)C2)c1C	2221029630	AYDNXMKWXBVIHU-OAHLLOKOSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@]1(C)CC=C(C)CC1	2221642570	HFBNOZDJCPVYBL-HLLBOEOZSA-N	248.410	4.908	0	10	BJAE	
CC=CCCCNC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222924052	YXODATHREYRNQN-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
NC1(CCCCCCCC2CC2)C[C@H]2CC[C@@H]2C1	2223154312	ITSSQTZGUUWFQF-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@H](C)c1ccc(C)cc1	2223967494	FFGNCIFFSDSWPX-RHSMWYFYSA-N	247.426	4.513	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1ccc2occc2c1	2224156114	IMRGMAZWVIZDNJ-GFCCVEGCSA-N	244.334	4.688	0	10	BJAE	
CCCCC[C@@H](NCC)c1cccc2ccoc12	2224181365	PJWBADOMMHGGPZ-OAHLLOKOSA-N	245.366	4.664	0	10	BJAE	
CCC[C@H](CC)C(=O)[C@H]1CCCC[C@H]1CC	2244775896	SGDRIWNCWVWFPV-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CN[C@H](CC=C(C)C)CC[C@H]1CCC[C@@H](C)C1	2246677112	AWQPFLPBCKOHHB-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2C[C@H](C)CCC2=O)C1	2246693918	KPBBYIFTMZGPLM-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C[C@@H]1CCCC12CC2	2247667653	XPDKWEZWBZAZAB-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCN(CCCCC[C@@H]1C[C@@H]1C)CC(C)(C)C	2248851561	HQZCSJMBRFVNHL-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@H](O)CC[C@@H](C)CCCC(C)C	2250478005	DKFAVFLCQUZFAU-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CC1=C[C@@](O)(CC[C@H](C)CCCC(C)C)CC1	2250497055	YLNPUFPVZRZHAO-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@@H](C)CN1	2250531353	XFLVTIAJLUBZPR-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@]12CCCC[C@H]1CC2	2251222585	QBZJYAVXRDFBDY-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C[C@](C)(N)CC1CC(CC(C)(C)C)C1	2251504076	VPXQVVKECLOPTJ-XUJLQICISA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccc2ccsc2c1	2253062700	RVYIJMQOCLZLDY-ABAIWWIYSA-N	248.391	4.761	0	10	BJAE	
CC1(CC[C@H](N)CC[C@H]2CCCCC23CC3)CC1	2253783738	NOCQTGVCEQGLBU-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C1CCC(CCNCC[C@@H]2CCCCC23CC3)C1	2253882665	CFFMGYLWVKRZCX-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)C[C@@H]3CCC[C@@H]3C2)C1	2253909920	DZSVDUMIIYDCIF-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(CN)CCC23CCC3)C1	2253915300	FAYXRTWHTUHPCP-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
O=C1CCCCCC[C@H]1CC[C@H]1CCCC12CC2	2255256233	NLYNHMZTBNBJCT-LSDHHAIUSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC[C@@H](O)c1ccccc1	2257251523	GYPSLOANSLMCKD-DJIMGWMZSA-N	246.394	4.717	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)(C)C)c1)[C@H]1C[C@@H]1C	2257885357	HQNPWLXRKAWVDS-RCBQFDQVSA-N	245.410	4.831	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@]23CCC[C@H]2CC3)CC1	2260485254	DBBNPKKBILNRFK-WOYTXXSLSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CCNc1ccnc(C(C)(C)C)c1	2260742493	MFUKOWNRKIINEJ-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
Fc1ccc(C(F)F)c(CC[C@H]2C=CCC2)c1	2300648232	DSJVKGQBKSFLHB-JTQLQIEISA-N	240.268	4.662	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCC2(CCCC2)C1	2300683375	IZJARHFRGRNJHB-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)CC[C@H](O)C1(C)C(C)(C)C1(C)C	2300691460	UNNBHFLCCZEUFK-ZDUSSCGKSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CCC[C@@H]1C	2300879402	FYTMHJZWMMCTTC-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@@H](N)C1CCCC1)CCCC(C)C	2300893253	PAKVKJLWOFYZEF-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@](C)(CC1CCCCCC1)C(=O)O	2301135955	QVDLVILGAUCBBG-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@@H](C)[C@@H](C)C(C)C	2301845581	YVGIQVWKQSIOJP-VGWMRTNUSA-N	241.463	4.719	0	10	BJAE	
CCCCCC[C@@H](N)CCCC1=CCCCC1	2302355334	ALPAJNRWARUYDK-MRXNPFEDSA-N	237.431	4.955	0	10	BJAE	
CCC(C)(CC)[C@H](O)CCCC1=CCCCC1	2302358642	IQFIBUNBLOZNGH-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CCCC1=CCCCC1	2302362022	UMZPXHNQODDFPX-HZPDHXFCSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CC[C@@H]1C(C)(C)C	2303445931	URDUZXQKCIMTNE-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1CC[C@@H]1C(C)(C)C	2303454246	LERYQQJGWHFRRF-HIFRSBDPSA-N	238.415	4.844	0	10	BJAE	
Clc1cc2ccccc2c([C@H]2CC23CCC3)n1	2304011791	RWHLPPDMNWOXPR-GFCCVEGCSA-N	243.737	4.546	0	10	BJAE	
CCC[C@H](C)CN(C)CC[C@H]1CCC(C)(C)C1	2304395196	ZEBWBKJUFJKJLE-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCC1([C@@H](N)CC[C@H]2CCC(C)(C)C2)CCC1	2304417385	CDOQRMOPHVDLDS-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cccc(C)c1C	2307752895	WQJATHZWUHDACS-CQSZACIVSA-N	232.367	4.703	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)C1CC=CC1	2307816580	GMPPIYUPNMBSQR-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCCC[C@@H]1CC	2307847550	XLNGAORMIHQJMI-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CCCC[C@@H]1CC	2307875441	ILHBXAPTJRFNFT-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C[C@H]1CCC12CCC2	2307892680	FLOXCVGDZFYJMT-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@]12CC[C@@](N)(CCC3CCCCC3)[C@@H]1C2	2310124633	CBLRPRUDBUHGAH-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)[C@]12CCCC[C@H]1CCC2	2310428768	SPPZXXSUSXGJML-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@@H]1C)c1ccccc1C(C)C	2310956226	LRQZGRMHVVWGBU-ZQIUZPCESA-N	245.410	4.507	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)CC1	2311022615	OOLWSRMCBJLWRX-ABPIDSFRSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)C[C@@H]2C[C@H]2C(C)(C)C)CC1	2312520680	BQODVVZQVBJHCB-QSJFSLAZSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@@]23CCC[C@@H]2CC3)C1	2313347304	QTFXTYPEOIUNPU-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC=CC[C@@H](NCC)c1ccc(C(C)(C)C)cc1	2316504488	WPZBOFNSBQKXTJ-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H]1CCC2(CC2)C1	2316511993	YKNOPXAHONNBCE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CCN1CCCC[C@@H]1C1CCCCC1	2316518981	QLXOQSLDELYIAG-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
CC(=CCC(=O)[C@@]12C[C@H]1[C@H](C)C2)CCCC(C)C	2316564955	VISCBPHEIQQNSL-VYDXJSESSA-N	248.410	4.764	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316870964	WIFGVCHUVCPNLQ-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@H]1CCCC2(CC2)C1	2316873401	GMVSPUUMPBEGJT-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(CC1CCCCCC1)c1ccccc1	2316879430	FDHTXFCFSHYERF-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
CC[C@H](NCCCC1=CCCCC1)c1ccco1	2318529937	WWXJZQODDFTCFX-HNNXBMFYSA-N	247.382	4.601	0	10	BJAE	
CC1(C)CC[C@H](C[C@@](C)(N)C2CC3(CCC3)C2)C1	2319034884	QPYFJORIHBHILI-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CNC[C@@H]2CCC(C)(C)C2)CC1	2319103045	YHZKFZDDNRFYBG-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@@H](N)c1cc(F)ccc1C1CC1	2319169625	SJYVERLPZJHHJF-MRXNPFEDSA-N	249.373	4.673	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCCC[C@@H]3C[C@H]32)CC1	2319230462	CXTJLFLWXWQRRG-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)C[C@H]2CCCC3(CC3)C2)C1	2319309276	SDHDEKOLFVBWRT-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC(C)(O)CC[C@@H](c1ccccc1)C1CCCC1	2319667981	BYKOCSCBMHQISA-INIZCTEOSA-N	246.394	4.512	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@@H]2CC[C@H]2C(C)(C)C)CCC1	2320245864	DSXGLUVTGZRFLY-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CC[C@H](C)CCC2=O)CC1	2320349126	XASKEJNVNPIIIZ-APHBMKBZSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@@H](CNC[C@@H]2CCC(C)(C)C2)CC1	2320373495	SLYATNRBAMYUJU-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc(OC[C@H]2CCC(C)=C(C)C2)cc1	2320389126	XLCUWIXENJOYEQ-INIZCTEOSA-N	244.378	4.764	0	10	BJAE	
CCCCCC[C@@H](O)Cc1cccc(C(C)C)c1	2320634861	UROCJGXPJZWMBA-QGZVFWFLSA-N	248.410	4.684	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@@H]2CCC23CCC3)C1	2321605233	JWWFKGHXKWRVBI-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1cc(C)ccc1C(C)C	2327678797	ZGIIKBYLOLXLRL-WMLDXEAASA-N	248.410	4.834	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@H]2CCC[C@H]2C)c1	2327702936	BGUFPRCPYQSVIU-KMFMINBZSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccccc2C)s1	19965116	BPPKIYCVGXBBGM-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cccc(C)c1	20519863	PYUPABYPNCNTSQ-CQSZACIVSA-N	219.372	4.766	0	10	BJAE	
CC(C)[C@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1	20523089	GSYBWLYTUGDQSG-UONOGXRCSA-N	247.426	4.679	0	10	BJAE	
Cc1ccc(Cc2c(C)cc(C)cc2C)cc1	60088041	YIVKBRMLBLZHPJ-UHFFFAOYSA-N	224.347	4.511	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@@H](C)C(C)C)cc1	70123024	HWFGLJSZQOMNRZ-GRDNDAEWSA-N	247.426	4.753	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccc(C)c(Cl)c2)C1	70747678	VSOYCXSVWZKADC-RYUDHWBXSA-N	237.774	4.639	0	10	BJAE	
Cc1cc(C)c([C@H](C)NC[C@H](C)C(C)C)cc1C	83898297	JIELEZRCIMPNLP-HOTGVXAUSA-N	247.426	4.555	0	10	BJAE	
CC[C@H](C)C[C@]1(O)CCC[C@H](C(C)(C)C)CC1	87188001	CIMXKWAMEIILKC-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCC)C1CCCCCCC1	87690591	MALSECBCOOCUJS-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CNCC(C)C)c1cccc(C)c1	93141861	KJOQGAVZPFHDQD-QGZVFWFLSA-N	247.426	4.514	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C(C)(C)C)CCC1=O	103938792	LYKQOFIZDLLEBM-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
C/C=C\C[C@@H](CC)c1ccc(OCC)cc1	107572048	ONNMHHIYLPICDR-LLPBQKLSSA-N	218.340	4.545	0	10	BJAE	
CCCCC1CCC([C@H](N)c2ccc(C)o2)CC1	110226716	LFPVZOFGMPLNLX-XUJLQICISA-N	249.398	4.584	0	10	BJAE	
CCCCC[C@@H]1C[C@H](CC)CC[C@@H]1NCCC	110462299	XZDUFPQDYZOHSH-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCN[C@@H](C)c1cc2ccccc2s1	126683171	KDPLZMPRVIICIG-PCAWENJQSA-N	245.391	4.518	0	10	BJAE	
CCc1ccc(-c2nc([C@@H](C)CC)cs2)cc1	132228770	LCFBJXAONPUHFA-NSHDSACASA-N	245.391	4.886	0	10	BJAE	
CC(C)(C)Cc1ccc(Cl)cc1Cl	147432661	INPOMCZAWXGQKT-UHFFFAOYSA-N	217.139	4.582	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@H](C)c1ccccc1	159804315	OGMDLCZXUHZLCK-FMKPAKJESA-N	233.399	4.552	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H](CC)c1ccccc1	165057411	SGFIGFSRLQLBEP-ZFWWWQNUSA-N	232.367	4.576	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CCC1CCCC1	166903237	QIHVNTGLNXNLOL-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC=C(C)C)cc1	199759999	BTTLURCXABVHLF-CYBMUJFWSA-N	218.340	4.545	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCCC[C@H]2C(C)C)c1	214427356	SEKVLCYWHNQXHW-JKSUJKDBSA-N	245.410	4.930	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CC[C@@H](C)[C@@H](C)C1	220757279	GZGQNWHBKSBZIT-FXUDXRNXSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(C(=O)C2CCC(C)(C)CC2)cc1F	223771500	LKERWTBDLHHQOL-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC1(C)[C@H]2CCCCCCCCCC[C@@H]2[C@H]1O	225159252	HPYZGZBIZRWWQQ-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@H]2CCC[C@H]2C)cc1	226525039	ICULXUSJLUYSCO-CJNGLKHVSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@@H](CC1CCCCCC1)[C@@H](C)CC	228807282	CIZINJZNXPPHGX-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(-c2cnc(-c3ccccc3C)o2)cc1	260649469	VYOBBGRHLUHRDE-UHFFFAOYSA-N	249.313	4.625	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@H]1CCCC1(C)C	300469931	UCLZRMDXFJMCCU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](O)CCC2CCCCC2)C1	305898936	YFQPVLCXGVUSRT-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CCC(C)C)NCC	308064957	XONYAYIEEKGEGS-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@H](CC)CC(C)C	308111111	ZWPDFTUGHMKVQI-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCOc1ccccc1NC[C@H](C)C(C)(C)C	310722310	RSBMCZUPBADWCP-ZDUSSCGKSA-N	249.398	4.570	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCC[C@H](C)C2)cc1C	310728451	CVDNNDMQSSIPGR-SWLSCSKDSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCC[C@H](C)C2)c(C)c1	310780524	RMJVUZOVNPJIDS-WFASDCNBSA-N	244.378	4.703	0	10	BJAE	
CCC(CC)[C@H](N[C@H]1CC[C@H]1C)c1ccccc1	310947950	QDMWHSHVJQEVSO-COXVUDFISA-N	245.410	4.552	0	10	BJAE	
C[C@H]1CCCC[C@]1(CNC1CC1)CC1CCCC1	317700065	BMCBDMLVZYCQPN-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)C1(CNC2CC2)CCCCCC1	317951159	QKZIDPKVSYYVPL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC12CCCCC2)[C@@H]1C[C@H]1C	322219882	WWDOZNYGVVDAHW-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](Nc1cc(Cl)ccc1C)C1CCC1	322410109	VRLVTBSXPRXFIX-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
CCc1ccccc1[C@H](N)CCCCCC(C)C	383419631	ZLIGMZKEMRXQMH-QGZVFWFLSA-N	247.426	4.855	0	10	BJAE	
CC(C)CCCCCNCC(C)(C)C1CCC1	385072947	WWYRBBLMXABXHQ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)c1ccc(C)cc1	386614434	LEONSPVYVWBLGW-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
Clc1cccc(N[C@@H]2C=CCCCCC2)c1	390424254	UFDQWEQLGQWPDW-CYBMUJFWSA-N	235.758	4.641	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCCCC1(C)C	391180837	PUTQZBGUSWAZBK-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@H](NCC1(C)CCCCCC1)c1ccccc1	394597422	BPUULEGQACPXGC-HNNXBMFYSA-N	245.410	4.698	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCC1CCCCC1	395112821	DFRXZZWQZVPECL-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)(CC)CCCCNC(C)(C)C	395137586	WFHZAAVSSOAYSG-UHFFFAOYSA-N	227.436	4.761	0	10	BJAE	
COc1cccc2sc(Cl)c(C(F)F)c12	396186545	SJYIIBHRIVLBGU-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCN[C@H](c1cccc(C)c1C)[C@H](C)C(C)(C)C	399171564	LNQGFPZDDBBCOZ-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
C[C@H]1CNCC12CCCCCCCCCCC2	399626371	VDCRBWGGGHRAIW-HNNXBMFYSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@@H]1CC=CCC1	402355261	VZGUJZXDVAFFMX-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc([C@H](N)CCC(C)(C)C2CC2)c(C)c1	405732230	MIBKMLSTYJVNNT-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CCCC1(CN[C@H](C)CCCC(C)C)CCC1	687525124	DDRNTASQIRPVFY-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC1(CNc2cccc(F)c2C)CCC1	687526688	FCDVGJOBBPYNAB-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C(C)(C)C2CCC2)c1	688948713	IRIYJSPIQDUPSU-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2CC3CCC2CC3)c1	691661930	WJNUXIZHDBQEPA-UYSNPLJNSA-N	244.378	4.509	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H](C)C1CCC1	692679439	RGEATKANJIATRW-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H]1C[C@H]1C(C)(C)C	699839783	XTNFHEUNKBHHSO-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCC[C@H](C(C)C)CC1	701047628	ICMGAYDFNQUGFT-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCCC12CCC2	707519809	PFSPOGBWYGXCEP-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CN[C@H](c1cccc(C)c1C)[C@@H](C)CC(C)(C)C	708315220	GYPLDNASUJCNSZ-BBRMVZONSA-N	247.426	4.636	0	10	BJAE	
CCC1CCC(NC[C@H](C)CC(C)(C)C)CC1	709122437	IYOWLMKOMPQOCQ-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]1Nc1ccc(C2CC2)cc1	709683707	JHMFOMRDNWRPKX-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)CC2CCC2)cc1C	710193890	FJWVPRVQZIKKOY-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
CC[C@H](C[C@@H](O)CCCC(C)C)C(C)(C)C	711178079	LHDZSVYZBWGZQF-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
CNc1ccc(C(=O)CCCCCC(C)C)cc1	711915463	TWEPLVICWBPPHU-UHFFFAOYSA-N	247.382	4.518	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(N)CCC(C)(C)C[C@H]1C	713175196	LUYMMRPEGGDDFD-CJNGLKHVSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@]1(CC(C)(C)C)CCC[C@H](C)C1	713298875	QRZQPBHRKOJELZ-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC/C=C/C[C@H](C)c1cccc(Cl)c1	714553095	OABMNFGOOAAHBF-ZWNMCFTASA-N	208.732	4.800	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC[C@@H]2C[C@H]2C2CC2)C1	714821245	LGLIGJNGSSOHGO-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CC1(C(=O)c2ccc(C3CC3)s2)CCCCC1	716617043	MNRZWQQEKSZQHB-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@@H]1C[C@H]2CC[C@H]1C2	718578326	ISAKSNPSCLCSNF-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(O)CC1CCCCC1	718698648	HDHHEZAYILPZEG-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CCCCCC1(C)C	719289951	VXZSAMGGZPDJDE-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CCC1CC=CC1)COCc1ccccc1	719590156	BEDLDBZRLRCDGU-OAHLLOKOSA-N	244.378	4.586	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cscc1C(F)F	720237533	VQQZSARAADGQCT-JTQLQIEISA-N	248.338	4.545	0	10	BJAE	
CCCCCCN[C@H](C1CCCCC1)C1CC1	724006338	AJYZWZHCCBZLOS-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Clc1ccc2c(c1)CC[C@@H]2SC1CCC1	1652848753	HPJBKBWRCMMBGZ-ZDUSSCGKSA-N	238.783	4.613	0	10	BJAE	
CCc1ccsc1[C@@H](O)CCC(CC)CC	1900705851	WZCVEBAPROSDOI-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC[C@H](C)CC1	1905399427	WGELLXMXYHGVKL-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)[C@H](C)CC(C)C	1905430636	CYMKIMICIAJAMQ-QLFBSQMISA-N	227.436	4.602	0	10	BJAE	
CCCNCC(CC)(CC)CCC[C@@H]1C[C@H]1C	1908552957	VGDNIYSVWOVSMG-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H]1C[C@H]1C(C)(C)C	1910761085	DSRAHGRRHTUEPZ-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CC(=CCCNC1CC1)C[C@@H](C)C1CCCCC1	1911905899	CERGOEIYYZZBQJ-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC=CC[C@@]1(CNC(C)(C)C)CCC[C@@H](C)C1	1912087856	FFLNNIWVNUGWOW-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)C=C1CCC[C@@H]1[C@H]1CCCCN1	1912093979	NSMRFZKRXKIUKB-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@@H]1C[C@H]2C[C@H]2C1	1913424595	VEIMCFWHMXHXCU-LVQVYYBASA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC)c1ccc([C@H]2CC2(C)C)cc1	1916482986	AZXQGSSYFPFQRC-CVEARBPZSA-N	245.410	4.651	0	10	BJAE	
CC(C)CC[C@]1(CNC(C)(C)C)C=CCCC1	1916569339	QLBODOVRYGGJHV-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC(C)CNC[C@@]1(C2CCCCC2)C=CCCC1	1916611854	XUARLQSOYCSKBX-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CNC2CC2)C=CCCC1	1916614517	CRZPQFFBIWZGIE-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CNC[C@]1(CCCC2CCC2)CCCC12CCC2	1921594771	IOTSHKHYEPITDB-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
C[C@H](CC(=O)[C@H](C)C1CCCC1)c1ccccc1	1924101947	WCRHWWCLWCRQPR-ZIAGYGMSSA-N	244.378	4.576	0	10	BJAE	
CCC(CC)CCN[C@H]1C[C@@H](C)c2ccccc21	1926175778	LTTWZBWJARSMKK-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CC[C@H]1CCCC(=C2CCC(C)(C)C[C@H]2CN)C1	1927147779	QDQQGYXHAJREMT-ZFWWWQNUSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1CC[C@H](Oc2cc(Cl)ccc2Cl)C1	1934210621	XJESVMIMJZAZRX-SCZZXKLOSA-N	245.149	4.561	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CCCC1(C)CC1	1935924146	NSXFMRRQMMUSSQ-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC(CCC)[C@@H](O)CCCC1(C)CC1	1935941238	TWPMBOYRXMTJGC-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)CNCC(C)(CC)CC	1936280325	ZFWBMZGZSBXMFV-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1(C)C(C)(C)C1(C)C	1940282386	KPAJSAOIAIJWFI-UHFFFAOYSA-N	236.399	4.764	0	10	BJAE	
C[C@H](CC(=O)CC1(C)CCCCC1)C(C)(C)C	1940385562	UIKVAABMRHBBLW-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@@H](O)CC[C@@H]1CCCC1(F)F	1940706110	NKCNJCBSYLVDFH-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCCC1([C@H](CCCC2(C)CC2)NCC)CC1	1940872857	ADLIYKROXHLVKS-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CCC[C@H]1CC1(C)C	1940874373	UIYMMLUXAIWFKC-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CC1(CCCC2(CN)CCCCCCC2)CC1	1940880679	JCCCYXWIDOZVEQ-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@@H](CC)C(C)C	1941273163	PLYPTLZSHJBMLQ-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCCCCCC1CC1	1941581409	KOFGQJPOAZHBDG-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)CCC(F)F	1942305663	BLNIEZXAGREHLL-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1[C@@H](C)CCC(C)C	1942659120	QRHBWIHANDFGFR-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@]1(CN)CCCCCC1CC1	1944479438	BWILGSNIMATRAX-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCC(CC)CN[C@@H]1CCCC2(CCCC2)C1	1946456053	SADZLLSBPIVSTK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCCCC1CCCC1	1947454811	BKLIZZGUDAWAKS-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H]1C=CCCC1	1947562637	QWPVPMLPNNPDCW-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948584370	DLCCPOPIIRDEDW-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)CC1CC2(CCC2)C1	1949735241	XVHPWWJBOSCISQ-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
O=C(CC1=CCCCCCC1)CC1CCCC1	1949858241	WJJNALSBSXBTMP-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCC(CC)[C@@H](NC)[C@@H]1CCCC(C)(C)CC1	1950917204	DOAYQUPAYLKYRK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CCC[C@@H](C)CC1	1950922107	LQQFVFGBLAJQCV-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@H](CCN2CCCC23CCCC3)C1	1963124327	WVQUXSDSAMYSSZ-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCc1cc(N[C@H]2CC[C@@H](C(C)C)C2)ccc1F	1963197787	SNAXJFAZKPONHH-KGLIPLIRSA-N	249.373	4.625	0	10	BJAE	
CCCC[C@@H](CC)NC1CCC(C)(CC)CC1	1963228434	GRINYUFLJHDZDC-QQFBHYJXSA-N	239.447	4.904	0	10	BJAE	
C1CCCC(CN[C@H]2CCCCC23CCC3)CC1	1965980953	VOGNCPFRCLIRCK-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
Cc1cccc(OCc2cccc(C(F)F)c2)c1	1968270589	MOJBNCQAHREKBA-UHFFFAOYSA-N	248.272	4.512	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNC2(C3CC3)CCCC2)C1	1970876502	HOHFMXIITZJSTI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(N[C@H]2CCC3(CCC3)C2)ccc1F	1971993455	ZKDPGDBNKCCQLI-AWEZNQCLSA-N	247.357	4.523	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1ccc2sccc2c1	1977425947	LUYFPCHLXZPMDO-ZWNOBZJWSA-N	231.364	4.502	0	10	BJAE	
CCCCC[C@@](C)(O)[C@@H]1CCCC(C)(C)C1	1978329928	RMIVNXZEVOOXQM-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
Cc1cscc1N[C@H](C)[C@H]1CCC[C@@H](C)C1	1980279784	LTFFKNDCBIJNPT-RTXFEEFZSA-N	237.412	4.683	0	10	BJAE	
C/C=C/CCC[C@](C)(CCC)CNCCC	1984635211	NONUBFROPYFSDD-PXTSUWAFSA-N	225.420	4.539	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H](C)C(C)C	1988301663	WXTUIXOPANDXKU-UONOGXRCSA-N	226.404	4.700	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C[C@H](C)CC(C)C	1988793637	ASIJYVWQAUXNMN-HUUCEWRRSA-N	226.404	4.556	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCC(C)(C)CC	1993599590	XBFBLIBEQAUJLQ-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
Cc1cc(Cl)cc2cc([C@H]3CC3(C)C)[nH]c12	1994129686	FRLZMJWZJSBTNT-LLVKDONJSA-N	233.742	4.643	0	10	BJAE	
Cc1ccc(F)c2occ(C3CCCC3)c12	1995498513	POSGUNWTSGHHLG-UHFFFAOYSA-N	218.271	4.538	0	10	BJAE	
C1CCCC(N2CCCCC23CCCC3)CC1	1995813203	OIYLOSWUCBYYSR-UHFFFAOYSA-N	235.415	4.508	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1ccc(C(C)C)cc1	1996611376	BPGIRVBDBWKQFL-HNNXBMFYSA-N	233.399	4.636	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@H]1CCC=CCCC1)NC	1999987738	JAQBIUDQOXFHOL-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCC=CCCC1)C(C)(C)C	1999999372	ROMHLPZJGMECAI-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@H]1CCC=CCCC1	2000505300	PUEOHQYAJMETGB-JKSUJKDBSA-N	237.431	4.668	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](O)(CC2(C)CCC2)C1	2001141366	VFYCRUUPTINABI-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(CN[C@H](C)C[C@H](C)CC)CC1	2002884355	UIWMBPVRXBSCIR-WXLSXGNJSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)C1CCC(CC)CC1	2002927986	WDUPFGHIPFVYNX-QRNKSROTSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(N)[C@H]1CCC[C@@H](C)C1	2002998373	KSJXPEXOHDKVIS-UGUYLWEFSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H]([C@@H]2CCCCCCCC2=O)C1	2003071546	ZVFHXHIYUVOFBE-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCCCC[C@H]1O	2003098973	JARAGIDHMLITCT-ARFHVFGLSA-N	240.431	4.924	0	10	BJAE	
CCCCCC1CCC([C@]2(O)C[C@@H]2CC)CC1	2003104832	ZEKPNXDCNZSAPA-GRAKBVBRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](C[C@H](C)C2CCCCC2)C1	2006660502	HHJLNMGXORLEBY-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
F[C@H]1CCCC[C@H]1Nc1ccc2sccc2c1	2006685334	XLNGOJYTVGEHJZ-QWHCGFSZSA-N	249.354	4.594	0	10	BJAE	
F[C@@H]1CCCC[C@H]1Nc1cccc2ccsc12	2006686137	ZMPFETUEEUMLMH-VXGBXAGGSA-N	249.354	4.594	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CCC[C@H](C(C)C)CC1	2009589288	ANUWXEQVIFHGBM-CGFBPQRUSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCCNc1ccc2ccccc2c1	2009591600	WJFQEBDYXOGZKN-NSCUHMNNSA-N	225.335	4.608	0	10	BJAE	
CCCCCC1CC(N(C)CC(CC)CC)C1	2009776680	AISKZJMCHJDFAW-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1C[C@@H]2CCC[C@H]2C1	2012002085	JRSQOXTXSCWDNV-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](N)(CCC(C(C)C)C(C)C)C1CC1	2015360571	JMHMGQGIFIUZDO-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CC(C)CNCC[C@H](C)CC(C(C)C)C(C)C	2015408520	KALDSZJALXZFSN-HNNXBMFYSA-N	241.463	4.577	0	10	BJAE	
CC(C)(C)C1(C[C@](C)(N)CCC2CC2)CCC1	2017145837	MRQGLRLPLYNYOW-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C[C@H]1CCC=CCCC1	2017235142	FCSIBKBJHBLTMX-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@](N)(CC)C1[C@@H]2CCCCC[C@@H]12	2018130449	OKOQWZYMNFEOCX-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1ccc(C(C)C)cc1	2022493055	OKZZHBYYVUKVPY-GJZGRUSLSA-N	231.383	4.658	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@H]2CCC23CCC3)n1	2026528391	DFLDBNDRYZMZBN-DGCLKSJQSA-N	249.423	4.779	0	10	BJAE	
Cc1cccc([C@@H](O)CC2(C)CCCCC2)c1C	2027312376	VGIMBATWHOIZFZ-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)C1CC1	2027627634	KKHQAEWVRDECAC-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C[C@H]1C[C@H]2CC[C@H]1C2	2028631966	UQVAVGBBCVEQEU-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@H]3CCCC[C@H]32)CCCCC1	2028759139	FCELNWWZAALFNP-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(N[C@@]23CCCC[C@@H]2CCC3)CC1	2031797875	HLHUKPJMAXAMOB-MNAZLIDISA-N	249.442	4.658	0	10	BJAE	
CCCCCc1ccc(NC[C@H](C)C2CC2)cc1	2032147505	RNMOXESKZJRVGV-AWEZNQCLSA-N	245.410	4.877	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@@H]2CC3CCC2CC3)C1	2033382039	BRPYBOGQQWDVEB-CVSAEHQPSA-N	248.410	4.598	0	10	BJAE	
CCCCC1CCC(N)(C2[C@@H]3CCCC[C@@H]23)CC1	2033485930	KGNAXSCTDWSZAC-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CCc1occ(C)c1[C@H](N)CCC1CCCCC1	2035524458	FJLHMEHDWPOOMP-CQSZACIVSA-N	249.398	4.511	0	10	BJAE	
CCc1occ(C)c1C(=O)C[C@@H]1CCC[C@H](C)C1	2035538116	LZUHDKRFQHWZED-WCQYABFASA-N	248.366	4.550	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)C[C@H]1C=CCCC1	2035602472	WEKIZLFTOPPXTN-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CCC12CCC2	2037476731	HOYOSKGYJCXWEK-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H]1CC12CCCCC2	2038999449	KPWXBTZDRKGJPU-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
CC1(C)CC2(C1)CC(CN)(C1CCCCCC1)C2	2039421394	LNYWIXZWPGRXKN-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CCC1=CCCCC1	2039435474	DPRFUWDAKPMOFZ-UAGQMJEPSA-N	247.426	4.587	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2(C)CCCCC2)cc1F	2039861967	JTPZGWTVBFUSHP-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)[C@H]1CC=CCC1	2042024057	IEYMMDYWNMCGOB-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H]1CC[C@H]1Nc1ccc(C2CC2)cc1	2043671704	CSEAZUSIMBYCLP-NVXWUHKLSA-N	243.394	4.801	0	10	BJAE	
Cc1cc(F)cc(C(=O)[C@@H]2CCCC(C)(C)C2)c1	2045450270	OHGCQJIOYMRLHW-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
OC1(C[C@@H]2C=CCC2)CCC2(CCCCC2)CC1	2045667852	JXRHVEMBEIXPOX-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2C[C@@H]3CCCCCC[C@H]32)C1	2047439020	WZEGTIIZHQZNFU-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C(C[C@@]2(N)CCCCC23CCCCC3)[C@@H]1C	2047558426	UZPOGVROCVTRQR-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(NC[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	2048401654	YTDCWVUEICJGPP-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(C2(N)CC3(CCCCC3)C2)C1	2048629816	GZKRANNEDKBADM-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CC23CCCC3)C1	2049509116	QIRZYMFNNRBMNH-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
Cc1ccnc(C)c1NC1CCCCCCCC1	2049671543	FDRVYRNCLWVFPU-UHFFFAOYSA-N	246.398	4.613	0	10	BJAE	
CN[C@@H](CCC(C)(C)C(C)C)c1ccccc1C	2050456522	RIRIUAGCCLRTPA-INIZCTEOSA-N	247.426	4.718	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)[C@H]1CCCCC12CCC2	2053354708	GCIXVTDYJJWQOY-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC(C)(CC[C@@]1(CN)CCCCC12CC2)C1CC1	2053417256	ACIKEMAREOFXGZ-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(CN)CCC3(CC3)CC2)C1	2056523433	OOYFAPNPCXGIPX-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@@H]1CCC[C@H]1C(C)C	2056884238	SRIXNMLWQVSUIT-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1CCC2(CC1)CC2	2059261974	IRINQGKYKPZHPT-WMHVBEDNSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)C1=CC[C@H](C)CC1	2060931017	XBXNYSLZFPOCNU-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1NCCC	2061561680	UQNFDGZVEWFDDV-GVDBMIGSSA-N	249.442	4.548	0	10	BJAE	
CCN[C@H](CC(CC)CC)C1CC(=C2CCC2)C1	2061733789	GMOOSOJXRJJTDN-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@@H](N)C2CC(=C3CCC3)C2)CCCCC1	2061738767	GWBQUBHPNWRHTE-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](CC23CCC(CC2)C3)C1	2065340133	SGZAYOUGLZOYSN-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C[C@@H]2CC[C@@H]2C1)C1CCCC1	2068766225	CPZVPYINVAFFLA-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@H](NC)[C@H]2C(C)=CCC[C@H]2C)CCC1	2069280408	KEYFZYUFAXTZEC-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](C[C@@H]1CCC=CCCC1)NC	2071509445	BQSMSANXZRWBMV-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(N[C@H]2CC[C@@H]2C2CC2)CCCC1	2071798972	PFZSUMAQTLMJLK-SJORKVTESA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H]1CCCC12CCC2	2072419009	WJKBSFQGKDZJDP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(C=C2CNCC(C)(C)C2)CC1	2072820740	XOKYGYGTJUZDAK-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@]23CCCC[C@@H]2C3)CC1	2074102400	QUFLFSNCDDSBEY-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CC1CCC(=C2CCNC3(CCCCC3)C2)CC1	2074134264	PGKDYFWIWRSLOG-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCC1CCC(N2CCC[C@@H]2C2CCCC2)CC1	2074866187	RPIQHIRALCESDI-BDVYOWHSSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N([C@@H]2CCC23CCCCC3)C1	2075009684	AGYLKIZLDVYVAC-ARFHVFGLSA-N	249.442	4.610	0	10	BJAE	
CC(C)CC[C@@H](C)n1cc(-c2ccccc2)cn1	2075243743	IEAKMEUGDQZNJN-CQSZACIVSA-N	242.366	4.547	0	10	BJAE	
C[C@H]1C[C@@H](C[C@H]2C[C@](C)(F)C2)Nc2ccccc21	2077716488	IWRPFJOKOGCUTF-QCQGSNGOSA-N	247.357	4.503	0	10	BJAE	
CCCCc1ccc([C@H]2CCC[C@H](CC)N2)cc1	2077917731	FTSLWBKHMHNBLN-DLBZAZTESA-N	245.410	4.622	0	10	BJAE	
CCCCCc1ccc([C@H]2CCCCCCN2)o1	2077978612	LZPPCEVWJSPPML-OAHLLOKOSA-N	249.398	4.607	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C[C@@H]1C1CCCCC1)C1CCC1	2079486058	LZYXLCQTIYZGGK-WQVCFCJDSA-N	248.410	4.598	0	10	BJAE	
CC(=C[C@H]1C[C@H]1C1CCCCCC1)CNC(C)C	2079667444	XAHFQZPFBGPROI-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
CCc1ccccc1[C@@H](C)NCCC(CC)CC	2081216559	HJXLQCVKLKUXFS-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
C[C@@H](C[C@H]1CC12CCCCC2)[C@H]1CC[C@H](N)CC1	2082133974	QCSZMCMCSRYQCU-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc2[nH]c([C@]3(C)CC3(F)F)cc2c1	2083328656	WTXQQLYORQLUJX-AWEZNQCLSA-N	249.304	4.588	0	10	BJAE	
CCC1CCC(N2[C@H]3CC[C@@H]2C[C@@H](CC)C3)CC1	2084509517	BNSWVFRNKRVDLD-VCBJJIANSA-N	249.442	4.608	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1cc(C)ccc1C	2086054237	QXDOSDCWLLTPQN-DYVFJYSZSA-N	247.426	4.910	0	10	BJAE	
Cc1sc([C@H](O)CCC(C)(C)C)c(C)c1C	2211699249	IGNLCSDROPCKIN-GFCCVEGCSA-N	240.412	4.533	0	10	BJAE	
CCN[C@H](CC(C)(C)C)CC1(C)CC(C)(C)C1	2215397872	HGANFJVDVISGCZ-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](N)[C@@H](C)CCCCCCCC1CC1	2216879864	NZOOGVXATQYQEC-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)C[C@@H](CN[C@H](C)CC)CC(C)C	2217127805	XTHJUFOYFWXVTE-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)C[C@@](C)(CN[C@@H](C)CC)C(C)C	2217135491	FZZPRNIPVHVKPQ-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@](C)(CN[C@@H](C)CC)C1CC1	2217144080	CRBTTYLMJSEJKO-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C1CC2(CCCC2)C1	2220027565	JNQXBWXUKHINEJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](Cc2cc3ccccc3cn2)CCCC1	2220441067	DWIDOHJJUQJFOM-CQSZACIVSA-N	237.346	4.524	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)C12CCC(CC1)C2(C)C	2220964717	XFMWIEHKSWFKPX-YRFCHQJDSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CC2(C)CC(C)(C)C2)c1	2221006696	XNGXFZJCTHJGOM-OAHLLOKOSA-N	246.394	4.553	0	10	BJAE	
CC1=CC[C@](C)(NCC2C[C@@H](C)C[C@H](C)C2)CC1	2221596328	BOZRBXGHOBYTPN-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@H]2CCC23CCC3)C1	2222255243	FNXZDXASGWSJSD-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)[C@]1(CNC2CCC2)CCCC12CCC2	2223541493	IYNNZOQWSZMSNS-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)C)c1cccc2ccoc12	2224179693	CZAOEDACPDPYLY-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H](CC)CCC	2244782448	MRWRYJKJMHFCTF-SOUVJXGZSA-N	227.436	4.747	0	10	BJAE	
CC(C)(C)NCCCC[C@@H]1CCCCC12CC2	2246627200	PJKXXCOWWDSWEW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CCN(C)CCCC[C@@H]1C[C@H]1C	2247166175	OTHDQLVSNFGCDZ-GDBMZVCRSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CC1CC(C(C)(C)C)C1	2250367529	AJGFRMNJOVJXKM-HXSCFSKGSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)CNC1CCC2(CCC2)CC1	2250379873	VSVQJKOJCTUUBY-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC[C@H](N)C1CC1	2250481054	JNADYUZYAYPKOA-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CC[C@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251709566	YEUWLBCRXUKYQQ-QWHCGFSZSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@]1(CC[C@H]2CCCCC23CC3)CCCN1	2253879900	GZFVRBBDOXZRFY-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)CC1CC2(CCCC2)C1	2254115469	OYECOGFIBHJBRT-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C1(C2CC2)CCCC1	2254542128	DZBOXGCCUJUSOT-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
C1=C(CN2CC[C@@H]2C2CCCCCC2)CCCC1	2255058953	PQXCXCISDDRFCE-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC[C@@H]1CCCC12CC2	2255256230	NLYNHMZTBNBJCT-CABCVRRESA-N	248.410	4.886	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC[C@@H]1CCCC12CC2	2255317726	MVGDVSLIFNLWJG-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)c1cccc(NCC[C@@H]2CC2(C)C)c1	2257883688	ZABPXCRPZDQDER-CQSZACIVSA-N	245.410	4.832	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1C[C@H]2CN[C@@H](C1)C2	2259678247	KJMCMRRCPXNCOL-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@]12CCC[C@@H]1CC2	2260572399	AWYONGGIOGTRLS-RHSMWYFYSA-N	242.362	4.538	0	10	BJAE	
c1ccc2c(c1)ccn2C[C@]12CCCC[C@H]1CC2	2260588705	TYLSSHFGSBHASZ-DOTOQJQBSA-N	239.362	4.612	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2260625640	SUIAPRHNISGINZ-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@@]12CCC[C@@H]1CC2	2260653100	WVSOMRPPBKTJSQ-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@]12CCC[C@H]1CC2	2260675350	XRJNQORDDYSKPW-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(C[C@H](N)[C@@H]2C=CCCC2)C1	2261128766	RPSBJXYWERMIKJ-FJBKBRRZSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H]1[C@@H](C[C@H]2C=CCCCC2)CCC1(C)C	2261446444	QEWWLRDOMFPOAN-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CN([C@H]1C=CCCC1)[C@@H]1CC(C)(C)CCC1(C)C	2261448030	AETUKNKREKLCIH-LSDHHAIUSA-N	249.442	4.632	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)C[C@@]12CCCC[C@@H]1CC2	2298713046	HHNYWKAIQVAIMC-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@H]1NCC1(C)C	2299220757	JJKSTSFSVNJKBK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCC12CCCCC2	2300679143	QHTUQTUPSSRUHT-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)[C@@](C)(O)CC=C(C)CCCC(C)C	2300913332	DWNRIOQBHQCGGD-CVEARBPZSA-N	240.431	4.946	0	10	BJAE	
CC1(C)CC[C@H](CC2CCCCCC2)[C@@H](O)C1	2301140132	MKKLPZZUOFAQSI-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@H](C)C(C)(C)C	2301141198	WUKRZUNLJBOGND-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C)CC(C)(C)CCCC1=CCCCC1	2302353877	LDPBDILTCXFPPO-CQSZACIVSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@@H]1C)C(C)=C(C)C	2302607670	APUCYIVGTVBVAK-CWRNSKLLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)C(C)=C(C)C	2302607672	APUCYIVGTVBVAK-NUEKZKHPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@H]1CCC(C)(C)C1	2302660359	HELJQKLIOOOBOW-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CCc1cscc1NCC1C[C@H]2CCC[C@@H]2C1	2302893105	RXURORBDSOCCGS-ZIAGYGMSSA-N	249.423	4.549	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CC[C@H]1C(C)(C)C	2303406107	ZAKZYBAGSDFVTN-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CC1=C(C)C[C@H](NCCCCCC(C)C)CC1	2303459748	UMOTUQHSYWDUCE-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CCC(C)(F)F)CC1	2303591850	FGSYIVVNWMOGTC-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
Clc1cc(CCCC2CC2)nc2ccccc12	2304044072	REQJYQDSRKOSAD-UHFFFAOYSA-N	245.753	4.621	0	10	BJAE	
FC1CC2(C1)CC(C/C=C/c1ccccc1)C2	2304323148	IYMKHWZLWULDPZ-QPJJXVBHSA-N	230.326	4.618	0	10	BJAE	
CC1(C)CC[C@@H](CCC[C@@]2(C)CCCCN2)C1	2304432519	WDLMKKXEZRUVGG-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CCCC[C@@H](O)C(C)(C)C)C1	2304447043	KKHUBLNIWDQQTG-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC[C@@H]1CCC(C)(C)C1	2304447221	MCYYUKDZHYMWNF-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](N)(CC)CC[C@H]1CCC(C)(C)C1	2304447544	PCNSNKMRSBHNQD-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H]1CC[C@H](CC)C1	2307819661	OMOXRYBIHKAQLM-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CCCC(C)(F)F)NC	2307908332	GSDIZJQLDNEDRC-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@H]1CCC[C@@H]2C[C@H]12	2308937921	ZANDEOCMPXESJB-FZKCQIBNSA-N	246.394	4.518	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2311023194	XSLUNTYXHWFGRU-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313349144	SUIAPRHNISGINZ-BIVLZKPYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1C=CCCC1	2315872760	YHTWQAGCXDGNDT-HNNXBMFYSA-N	243.394	4.887	0	10	BJAE	
CC=CC[C@H](C[C@@H](C)c1ccccc1)NCCC	2316504902	YWIQXKZXVBHSMJ-NVXWUHKLSA-N	245.410	4.515	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@]12CCCC[C@@H]1CC2	2316873472	MTQBLYNAWDKRNH-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@H]1CC12CCCCC2	2316884676	MJASVITXTGMJPB-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCC[C@@H](C)C1	2317915112	JNUMAPLPIHELGJ-TZMCWYRMSA-N	249.373	4.940	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N1CCCCc2ccccc21	2318002339	WVGFPOBNUVWADX-LSDHHAIUSA-N	245.410	4.510	0	10	BJAE	
CC(C)CC1(CNCCCC2=CCCCC2)CC1	2318542282	ODJYCIBKTASUMA-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)C1[C@@H](C)[C@@H]1C	2318587572	URAXSUYQNQAMDX-DZKIICNBSA-N	249.442	4.537	0	10	BJAE	
N[C@@H]1CCCC[C@H]1CCC[C@@H]1CCCCC12CC2	2319000867	OXJBRGNEOWPWOX-HRCADAONSA-N	249.442	4.645	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)C[C@H]1CCC(C)(C)C1	2319122348	SWLFQRMMJLOKRA-ZJIFWQFVSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CC[C@@H]3CCCC[C@@H]3N2)C1	2319127678	BUFKTVFGIDOJGB-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C[C@@H]1CC[C@@H]1C1CC1	2319492520	OXJMGXVYPNTEHG-OFQRWUPVSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCC(C)(C)[C@@H](N)C2)CC1	2320336496	ZTTVDQJTGUBEGR-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@](C)(N)CC2CCCC2)CC1	2320337330	MBZNMRVHAQJEPM-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2cc(C)ccc2F)CC1	2320418605	CDWAIFYMCUMTJV-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)c1cccc(C(C)C)c1	2320527275	JNIUAZFOLPINEA-PVAVHDDUSA-N	245.410	4.636	0	10	BJAE	
CCC(C)(CC)NCc1cccc(C2CCC2)c1	2320670020	KLCLEUSLCWVJCL-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
CCC(CC)C(=O)Cc1cccc(C2CCC2)c1	2320671765	USEVOCOAYRFTJC-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC(C)c1cccc(NC[C@H](C)C2CCC2)c1F	2327780359	BXXFAJXIUFBQHT-LBPRGKRZSA-N	249.373	4.797	0	10	BJAE	
CCCCCCc1ccc([C@H](N)[C@@H](C)CC)cc1	2327895422	CDLGFRIKQDUMGA-WMLDXEAASA-N	247.426	4.855	0	10	BJAE	
CCC[C@@H](CC)C[C@](O)(c1ccccc1)C(C)C	2328207348	RZSNNLYGCDKRLM-NVXWUHKLSA-N	248.410	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)c1ccccc1C	2328283661	ZHQUITHEVXKPCU-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CCC(CC)Nc1cccc(Cl)c1Cl	20549255	NZUHWCTXIKIHCR-UHFFFAOYSA-N	232.154	4.594	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCCC[C@H]1C	20554180	LMJUOHQHFCXCKQ-ZWNOBZJWSA-N	237.774	4.639	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cc(F)cc(F)c1	20561343	SOOPCAUKDSVUOB-MFKMUULPSA-N	241.325	4.592	0	10	BJAE	
Oc1ccc(C2CCCCC2)c2ccccc12	34260909	YZBBICFPXUNONF-UHFFFAOYSA-N	226.319	4.593	0	10	BJAE	
CCN[C@@H](c1ccc([C@H](C)CC)cc1)C1CCC1	35544393	ZZFZOFYPWVJSQM-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1C)C1CCCC1	35579711	ABKFOQPCPKKGFI-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc([C@@H](C)NCC2CCCCC2)c(C)c1	37259485	CUCZPGATVFTYEW-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)C[C@H](C)C[C@H]2C	49829124	YYHBAWZNPCNGKS-NXEZZACHSA-N	237.774	4.544	0	10	BJAE	
CC1CCC(CCNC2CCCCCC2)CC1	70538532	FLIULARQCZWDNP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCc1ccccc1CN[C@@H](CC)C[C@@H](C)CC	84200785	WXZUFBOZOUXNKP-YOEHRIQHSA-N	247.426	4.553	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H]1CCCC[C@@H]1CC	84739443	RFWSBFCIUAPRSB-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CCC(C)(C)C)CC1	86939931	PQYMPNGMGVMHFZ-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)[C@@]1(O)CCCC[C@H]1C1CCCCC1	89661366	DCFBFVOHNVBAIH-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c([C@@H](C)Nc2ccsc2)c(C)c1	90866496	IEQNQXGYLPVGGX-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CC[C@@H]1CCC[C@H](Sc2ccc(N)c(C)c2)C1	91939108	VYEZEPTZYBTQOZ-OLZOCXBDSA-N	249.423	4.638	0	10	BJAE	
CCCNC[C@H](C[C@@H](C)CC)c1ccc(C)cc1	93139166	QQEWBHMRAODMTC-YOEHRIQHSA-N	247.426	4.514	0	10	BJAE	
CC(C)C[C@@H](N)c1ccc(Cl)c2ccccc12	93656300	LIFJWZZEBGTSDG-OAHLLOKOSA-N	247.769	4.539	0	10	BJAE	
C/C=C\C[C@@H](CC)c1ccc(C)cc1F	107509296	GNSFFKCQCPHJEP-TXNVCOODSA-N	206.304	4.594	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1C(C)(C)C1(C)C	124977403	XQQBXCNTTCYWDN-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C(CC)CC	126808619	QHUNDQOLFWZUQS-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCC(CCC)[C@H](O)c1sc(C)cc1C	132982919	VQJBLDLXROOHFU-ZDUSSCGKSA-N	240.412	4.615	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CC1=CCCCC1	161230720	STBYAXFZHCKVOJ-GOEBONIOSA-N	237.431	4.811	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](CCC(C)(C)C)NC	163375266	ZJAYMVYERSDHKX-HZPDHXFCSA-N	247.426	4.595	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)(C)C)C(C)(C)C	164680466	QQKAVJPIDFMFMH-OAHLLOKOSA-N	247.426	4.681	0	10	BJAE	
CCc1ccccc1C(=O)C1C[C@@H](C)C[C@H](C)C1	165987265	OVTSXWJBNBJBBH-STQMWFEESA-N	244.378	4.504	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)c1cc(C)c(C)cc1C	168663208	CNFXIGMYALCLAI-SJCJKPOMSA-N	247.426	4.699	0	10	BJAE	
Cc1cc(F)ccc1C[Si](C)(C)C(C)(C)C	203707899	PFBFNQGTNWUPHQ-UHFFFAOYSA-N	238.422	4.724	0	10	BJAE	
Clc1nc2ccccc2n1C1CCCCCC1	217624935	LBWAERPVYAAFPZ-UHFFFAOYSA-N	248.757	4.585	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCCC[C@H]1C(C)C	224962001	DBOAQYFHKJWAFJ-ZFWWWQNUSA-N	249.373	4.761	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](CCC)CCCC	225996007	NQVUTQTUZUKRMS-HUUCEWRRSA-N	227.436	4.904	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@@H](C)CC1	226499320	REWLWCQTOIQHHV-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1ccc(Cl)cc1C	233272560	XOZSFBFGBQUENK-YGRLFVJLSA-N	240.774	4.508	0	10	BJAE	
Cc1ccc2c(c1)[C@H]([C@@H](C)C1CCCCC1)CN2	235082127	QGWCWQZFWNCPKT-BBRMVZONSA-N	243.394	4.721	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNC2CCC(C)(C)CC2)C1	235371113	FHWQVXGWUDSQTL-ZFWWWQNUSA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](O)CCC1CCCCC1	302253081	LJOPNLNOFHDWCP-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H]1CCC[C@@H]1CCC1CCCCC1	302282400	VCUWMNHWRANRGI-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCC1(CNCC2CCCCCCC2)CCC1	302363047	XZOVNVIUUXOBGW-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CSc1csc2c(C)c(Cl)ccc12	307107585	LECMEGWJSASCLH-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1ccccc1C(C)C	308034214	RHXFIOGIYDTXTK-WMLDXEAASA-N	248.410	4.916	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC1(CC)CCC1	308035719	SUGZVECJGIJCTM-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CCC1(C)C	310066509	BRTANNUYQZEGKM-CQSZACIVSA-N	231.383	4.585	0	10	BJAE	
CCCN[C@@H](CC)[C@H]1CCCCC12CCCC2	310318471	XZJNOXFYRGPISN-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@](O)(CC)C[C@H](C)C1CCCCC1	310392875	GQWBYVQOGVFJJO-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC1(C[C@H](O)C[C@H](C)CC(C)(C)C)CCC1	310542743	UAGJHYVZPULCGT-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CC1CCC(C)CC1)C(C)(C)C	310547899	VOFKEFPDFOMAKS-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)C1(CCC)CC1	310789975	QPIZDGKQUMMSBW-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC(C)CC(CC(C)C)NCCCC(C)(C)C	313310805	WUKMOAALAIGEDN-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)CCC)CCC[C@@H]1C	317544699	XEXVGKIPLBBQKA-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(CNC(C)C)(C(C)C)CC1	318047783	JTJKXXKBKBWHDT-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1(CC=C(C)C)CC[C@@H](CC)C1	318457957	QNARPBFMIFUVCX-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@@H](C)[C@@H](C)CC)CC1	318864978	JEGNMUBBNXBWMU-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCCC1(C)C)C1CCC1	322492570	YXFAFPIRMCBEPG-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCC[C@H]1C)C1CCCCC1	380174685	XNKIWCCBJYUHIG-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CC2(CC)CCC2)C1	382406856	ABXVYOUUUZMMCO-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1CCC[C@@H](n2ccc3ccc(F)cc32)C1	382907084	VTMNVOYSJGJPFD-SMDDNHRTSA-N	231.314	4.532	0	10	BJAE	
Cc1ccccc1[C@@H](C)NCCCCCC(C)C	383258781	XKBBUYRFZFQACR-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCC1(C)C)C1CCCCC1	383741095	CGIBGRTYBLYJRN-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC([C@@H](N)[C@H](C)CC(C)C)CC1	383927518	SAUOKXQTZRALHP-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1CCCC[C@@H]1C	384585276	YBJQLNOODDUKMY-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)CCNc1ccc(C(F)(F)F)cc1	394414294	XXQDFGSSKQBRES-SNVBAGLBSA-N	245.288	4.554	0	10	BJAE	
CCc1cc(C(F)F)c(C)c2sccc12	396205113	XCDRJGLWZKDSAY-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1sc2c(C)cccc2c1C(F)F	396217282	ILGYKLCNZFBGLH-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1c(C(F)(F)F)ccc2c(F)csc12	396292889	FXPCTBCCJFCUJJ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1C)[C@@H]1CC1(C)C	397672162	QOHYUCBGPNJIHB-KBPBESRZSA-N	231.383	4.540	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C1C(C)(C)C1(C)C	401021568	HGDZIIXJJOWOCN-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H]1NCC12CCCCCC2	401660768	PJTRHSFHFCIUAI-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H]1C[C@H]2C=C[C@H]1CC2	402321784	NAMMPFROANTHID-XJNFMUPTSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H]1CCCCC/C1=C/Br	606287905	BGHKBENUPPFAHX-HIJJYWJESA-N	231.177	4.502	0	10	BJAE	
Cc1ccc(NCC2(C(C)C)CCC2)c(C)c1	687276809	HBTKZLATTXTAMN-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
Cc1ccc(N[C@H](C)CC2CCCC2)c(F)c1	689800689	NNLDBIFPNRLGLL-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
C[C@@H](CNc1ccc(C2CCC2)cc1)C1CCC1	690092941	JFHOLVIAVFQOQL-ZDUSSCGKSA-N	243.394	4.802	0	10	BJAE	
CCc1ccc(N[C@H](CC)C(C)C)cc1Cl	691252332	QMDNIVPVWIYMMK-CQSZACIVSA-N	239.790	4.749	0	10	BJAE	
CCc1ccc(NC[C@H]2CC=CCC2)cc1Cl	691267153	XENYEEDTMCCEJZ-LBPRGKRZSA-N	249.785	4.671	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)(C)C)c1)[C@H](C)CC	691650164	FZTNUMTUVSCBLD-CZUORRHYSA-N	247.426	4.681	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1CC2CCC1CC2	691699904	SQQRUMTZXRNEDH-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C(=O)c1csc2ccccc12)C1CCC1	692678811	OWFSLMVHQNSFFH-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
Fc1ccc(CC2CCCCC2)c(Cl)c1	694974054	GDQYZUSOYCEIRG-UHFFFAOYSA-N	226.722	4.602	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC[C@H]2C2CC2)c1C	696107244	UKANTXIYMWIKHK-RDJZCZTQSA-N	243.394	4.684	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCC(C)(C)CC)C1	696806882	OVJITTKXEWVTMI-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCCCC(CCCCC)NCC(C)(F)F	697606516	RECYMIXEYVABLT-UHFFFAOYSA-N	249.389	4.760	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@@H]2CC2(C)C)cc1	700632896	ANXDIPHEUIDZJG-OCCSQVGLSA-N	231.383	4.658	0	10	BJAE	
CCC(C)(C)[C@@]1(O)CCCC[C@H]1c1ccccc1	700899534	WHAWHOZDTIUZNV-DOTOQJQBSA-N	246.394	4.512	0	10	BJAE	
CC1(C)CCC(C)(C)C1N[C@H]1CC12CCCCC2	703881770	QBEGTQZOFAAGDZ-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](C2(N)CCC3(CCCC3)CC2)C1	704450335	WJDPWWKWKDHJGE-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(N)CCC23CCCCC3)C1	705267084	PSSAASGBZFJXEB-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@H](C)CC(C)(C)C	708250342	QWFQNLLYBMIJHT-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@H]1CCCC2(CC2)C1	710139483	HJWVCNJTPOGUBE-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC[C@@]23CCC[C@H]2C3)CC1	710484086	JGUIMVKYIXJAGZ-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C12CCC(CC1)C2	710956373	ZXSIBZGEGDBVFY-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C[C@H](N)CCC=C(C)C)C(C)(C)C	711211331	BWWXQMGVGFQBQS-UONOGXRCSA-N	225.420	4.523	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@H](C)c1ccccc1	711334411	YGNPLPWWCCMCLA-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@@H]1CCCC[C@H]1C	713695678	NZBUVOBPIKIDDU-ZHOIPMOUSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)C2CC3(CCC3)C2)C(=O)C1	717634328	CUSCZMWWXPREKW-OCCSQVGLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H]1C[C@@H]2C[C@@H]2C1	718635682	URYNALWPKATWIW-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C(C)C)[C@@H](CC)CC1CCCCC1	720428561	YJSLWBPXKCWNHO-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2CC(C)(C)C2)C1	723532535	LBIYXZMHTFQSKK-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CSCC(=O)C(C)(C)C	1188862981	HDKYRJWNQLQUAR-LBPRGKRZSA-N	244.444	4.551	0	10	BJAE	
CCC(CC)N(C)[C@H](C)c1ccccc1Cl	1257302670	DLLPJWQCRQDWTD-LLVKDONJSA-N	239.790	4.521	0	10	BJAE	
C[C@H](CSc1ccc2c(c1)CCC2)C(C)(C)C	1307283156	BHJJOJABJCWUAS-GFCCVEGCSA-N	248.435	4.950	0	10	BJAE	
C[C@@H](CSCC1CCCC1)C(C)(C)C	1307408944	HGHTUEOEVVWMRQ-NSHDSACASA-N	214.418	4.592	0	10	BJAE	
C1=CCC(CS[C@H]2CCCc3ccccc32)C1	1643660383	IZSPUHMCXIJXIW-INIZCTEOSA-N	244.403	4.763	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1C[C@H]1CCC	1897543242	RTXKDLZFIYPXAN-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
C1=C(CCCCC[C@@H]2CCCO2)CCCC1	1901955321	AGDYCWRMAOPMGQ-OAHLLOKOSA-N	222.372	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H]1C[C@H]1C(C)(C)C	1910634556	UVWGNSPLEVFNBM-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
O=C1CCCCCCCC[C@H]1CC1CC2(CC2)C1	1913387550	ZKSFSWUXMMHADX-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1[C@@H](N[C@@H]2CCC3(CCCC3)C2)CCC[C@H]1C	1916432107	XQRIHZQPUMETEO-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC12CCC2)[C@H]1CC1(C)C	1921488672	HFSPSMNWWAZESH-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
NC[C@H]1CCCC2(CCC2)[C@@H]1C1CCCCCC1	1924838715	PJQMODXCGPRRNR-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
CCc1cccc(C[C@@H]2C=CCCCC2)c1	1925815092	SJOABNBSPMARFW-OAHLLOKOSA-N	214.352	4.538	0	10	BJAE	
C1=C[C@H](CC2CC3(CCC3)C2)CCCC1	1925875805	YMUVPERYESJOCL-ZDUSSCGKSA-N	204.357	4.703	0	10	BJAE	
CCCC[C@@H](CC[C@H]1C=CCCCC1)NCC	1925935016	QWHFNZOEVZXDIJ-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CC)C1CCCCCCCCC1	1938719444	UKZJQHXTTNKMRI-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCc1cscc1C(=O)CCC(C)(C)CC	1938810188	LAVGCCNKUNIDFP-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1(C)C(C)(C)C1(C)C	1940285119	PHFITNFRXVXSTG-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC[C@](O)(CCC[C@@H]2CC2(C)C)C1	1940872489	MTBUBWVZKZEPHH-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H]3CC[C@@H]32)cc1Cl	1941023387	DTFFTJHDPUMLLP-CORIIIEPSA-N	249.785	4.503	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCCCCCC1CC1	1941580645	CBPMDBXGTFGMSK-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)CCCCCC1CC1	1941591392	KUDOHNWCMHQCCL-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CNCC1(CCCCCC2CC2)CCCCC1	1941593334	AHGKQWSSPWKNQK-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCc1ccc(C(=O)[C@H](C)CCC(C)C)cc1	1942652450	HPHIKSKRKQBSEA-CYBMUJFWSA-N	232.367	4.504	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccc(C2(C)CC2)cc1	1944599012	WQKXEGUQISNRTP-CHWSQXEVSA-N	231.383	4.585	0	10	BJAE	
CCN[C@@H](c1cccc2sccc12)[C@@H](C)CC	1945970256	MIMLWLBSECCFPJ-XHDPSFHLSA-N	247.407	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CN)CC12CCCC2	1948073004	JAMVNLKHVZIKLC-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
Cc1cc(N[C@H](C)[C@@H](C)CC(C)C)ccc1F	1948326269	KMNRZZWXDJYTIQ-WCQYABFASA-N	237.362	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1CCCC(C)(C)CC1	1950913220	FSXZXXHERQXTCI-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CC[C@@H](CC[C@@H]2C=CCCCC2)C1	1957986642	MCRBBFXAOGNDDR-KFWWJZLASA-N	206.373	4.949	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCC[C@H](C(C)(C)C)C1	1962912454	IWYGESSFVIFQRT-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCCCC2(C)C)C1	1963181822	GCMPSRHFYCFLBL-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)NCc1cc(C)c(C)cc1C	1963230452	WVDQSUZPGQSDCT-QGZVFWFLSA-N	247.426	4.670	0	10	BJAE	
Cc1cccc(NCC2CCC3(CC2)CC3)c1C	1968255493	YFRPWFISWDYCEH-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCC[C@H](C)C2)c(F)c1	1968326113	BZVAXDXMSKJJNA-GXTWGEPZSA-N	249.373	4.762	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@H](C)CC1)C1CCCCC1	1969374494	AHHKZWWNDZMOCW-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
C1CCCCN(CCC2CCCC2)CCCC1	1970126557	TZPHHWSJKURSKI-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC1CC(C(C)(C)C)C1	1970302821	OADWKWPHYRWUGR-HSBZDZAISA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)CN(C)C[C@@H](C)C1CCCCC1	1970736341	ILPHCUKNHUQIIJ-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCCC12CC2)[C@@H]1CC1(C)C	1972744162	MFIHONGOAGFQSP-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCCC1)NC1CCC2(CCC2)CC1	1973043144	LLYFHBUKVYSOKL-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CCCC(C)(C)[C@H](CCC(C)(C)C)NCC	1976009951	FQGQIMCAVPBGPW-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@H]1CCC=CCCC1	1978275222	VSZCYXUKQSRCNJ-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H](C)Cc1coc2c(SC)cccc12	1995462949	DCQNWPASKFEXDE-SNVBAGLBSA-N	234.364	4.743	0	10	BJAE	
CCCCC[C@]1(O)CCCC2(CCCCC2)C1	1996645896	PMQYCWIYBHZANR-INIZCTEOSA-N	238.415	4.822	0	10	BJAE	
CC1(C)CC(C(=O)C[C@@H]2CCC=CCCC2)C1	1999981701	QOQFKINYHVULJA-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CC[C@H]1CCCCCN1[C@@H]1CCCC(C)(C)C1	2000153216	AOBWOKVMQMURDR-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC(C)(C)C(C)C	2000193093	GACNPJMVZVGPLV-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CCC(C)=C(C)C	2000295754	LJHIGFCFUWLWBU-ZBFHGGJFSA-N	234.383	4.684	0	10	BJAE	
CCCC[C@@](C)(CCC1=CCCCC1)C(=O)O	2000499052	GUARNFKISSEISC-HNNXBMFYSA-N	238.371	4.548	0	10	BJAE	
CCC[C@@](C)(CNCC)[C@H]1CCCC(C)(C)C1	2000514828	OFRNLVPDXXRQCI-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H](CC)C(C)C)CC1	2002928764	ZQHZDRFXZJGZKR-SLTXQBBLSA-N	239.447	4.616	0	10	BJAE	
C[C@H](CCNC1CCCCCCCC1)C1CC1	2003100610	RPNHTGMYSSDKBK-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](NC2CCCCCCCC2)C1	2003101754	YOSXTQADRBHJHH-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](CC=C(C)C)NC)CC1	2004227358	RWXSQEBBIFQYGS-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C(C)C)C1CCC(CC)(CC)CC1	2004337489	RRVFCHPWVXHNFX-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NC)[C@@H]1CCCCC12CCC2	2005601043	PVMFBEQADCGTPD-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C1(C)CCC(C)(C)CC1	2007683681	TWBXPOPSGHCBDV-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H]1CCCCCCCC[C@@H]1O	2009593891	PGUQYMRZIXKBNP-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
C/C=C/CCCNC[C@@H]1CCC[C@@H](CC)CC1	2009597922	IRGRSHHOVZRMHP-BYQDXSGLSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C(C)(C)C1CCC1	2009619964	PYPSSXGSGQWUQS-ZKKXHLJNSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCC[C@@H](C)C2)C1	2009716596	WBIWQCXUOUKFKV-YHNBSYBMSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C1=CC[C@@H](C)CC1	2010622378	KVLWKKNRBOZSSW-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCC(=O)c1oc(-c2ccc(Cl)cc2)cc1C	2012050115	GHPVTPKDNWURCU-UHFFFAOYSA-N	248.709	4.501	0	10	BJAE	
CCC(C)(C)CC(=O)C(F)(F)C1CCCCC1	2012960993	KEFFMUXKOVGTOR-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](C)CC(N)(C1CCCC1)C1CCCC1	2013224062	UVMKFEHNTYGWST-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CCC12CCCC2	2013271080	ONOHMDURIBPLDC-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H](C)C1(C)CCCC1	2014336246	CHBYTBGJGUNASI-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CCCNCC[C@@H](C)CCC(C(C)C)C(C)C	2015343958	HRWJLDCAXUWDAJ-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@H](C)C(C)C)cc1	2015380959	WUNVBKWBPAPORR-ZDUSSCGKSA-N	232.367	4.675	0	10	BJAE	
CCCC1([C@@H](N)[C@@H]2CCC[C@@H](CC)C2)CCC1	2015593664	FCOHDSVXNDOEPJ-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](CC1(CCC)CCC1)NC	2015641412	DUXAGVVKZJACPJ-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC1(C[C@H](C)C[C@H]2CCCCN2)CCC1	2015642459	QNUVNLLQRWPGAE-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CC2(CN)CCCCCC2)CCC1	2015645452	UBTBXIISPQHPIF-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)C1CC=CC1	2016344392	SEHDRIVQFIWCDO-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@](O)(CC2(C(C)(C)C)CCC2)C1	2017113694	CUZKCJILEHMMRD-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(F)C[C@@H]1CCCCCCCC[C@@H]1O	2017418849	HYDYMDUJOUCMFO-ZFWWWQNUSA-N	242.378	4.751	0	10	BJAE	
C[C@@](O)(C[C@H]1CC[C@H](C)CC1)C1CCCCC1	2017650340	GAKZUNVWFUULEY-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1CC[C@H](CC)CC1	2017720093	FFWVKHQFVSOGMX-SHTZXODSSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(C[C@@](C)(N)C2(C)CCC2)CC1	2017720403	GXMVRTJTTZWLKX-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@H](N)CCCC(C)C)CC1	2017726390	YNULDZSIWQAZKX-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@H](N)C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017728869	PVSKPQHNWQQQKL-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](CC)C1CCCC1	2018130673	PJIQWFOLKQSYRM-JKSUJKDBSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](CC)N(C)CC(C)(C)CC(F)F	2018181244	HQTVVVSCIWPKFR-LBPRGKRZSA-N	249.389	4.568	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2nc(C3(C)CC3)cs2)C1	2018312940	UHZZAWZYUKFRGV-VXGBXAGGSA-N	249.423	4.878	0	10	BJAE	
CCCC1(C[C@]2(O)CCC[C@@H](CC)CC2)CC1	2018980154	NECQYVOLKPIDQC-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)C1(C)CCCCC1	2018994438	LASMIBANEOBPTC-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CC1CCC(C)CC1	2019163213	HWDAEYXQAPPKOY-SHARSMKWSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@@H](C)CCC(F)F	2019193169	LJIAJTXGFMGDIC-QWHCGFSZSA-N	249.389	4.568	0	10	BJAE	
O=C1CCCCCCC[C@@H]1[C@H]1C=CCCCC1	2019537296	RGXMDZFXHZHWBL-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1C[C@@H]1CCC	2022381596	FFHQZPGLZAPGQG-UHKIINPBSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CCC1CC(C)(C)CC(C)(C)C1)NC	2024100896	GPNFAZZRHSMLBQ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2(C)CCCCC2)C1	2024121188	BTXAUZASLSHCRU-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1CC1(C(C)(C)C)CCC1	2024613196	MKIAIMRRBTVZBI-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CC[C@@H](C)C1	2026065340	UIVXHXKKXSTPOL-RRFJBIMHSA-N	238.415	4.988	0	10	BJAE	
CC1(C)C[C@H]1CCCC1(CNC2CC2)CCCC1	2027841078	WXWACQWWVQWLKT-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@](N)(CCCC1CCC1)[C@H]1CC2CCC1CC2	2028485618	PGVATAHLGDZBIW-SJJHQCBESA-N	249.442	4.501	0	10	BJAE	
CC(C)(CCC(=O)C1CC[C@H]2C[C@@H]2CC1)C1CC1	2028961734	MRPFKPCIBSHJSM-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccccc2C2(C)CC2)C1	2032242599	JROALQQLKFLRIN-KGLIPLIRSA-N	243.394	4.729	0	10	BJAE	
CCc1ccccc1C(=O)C(C)(C)C1CCCC1	2032295325	GSYQHWGGBJGHAC-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CN[C@H](CCC[C@H]1CCC[C@@H]1C)c1ccccc1	2032512334	AFZHWHOHLSURST-ZMSDIMECSA-N	245.410	4.554	0	10	BJAE	
CC1(CCN[C@H]2CC3CCC2CC3)CCCCC1	2033210526	MQEUDISHXWLGCA-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC[C@H]2C(C)C)c(C)c1	2035400962	SAMCUDHLIAFSQR-JKSUJKDBSA-N	245.410	4.848	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)[C@H]2C(C)C)cc1F	2035410134	NQKGXDNXVCQRRB-DAXOMENPSA-N	249.373	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc(C)c(CC)c1	2035427223	WJDWZBNHPFRQTN-NVXWUHKLSA-N	245.410	4.938	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C[C@@H](C)c1ccccc1	2036383445	ONQXDXIZTDVARQ-HLLBOEOZSA-N	248.410	4.613	0	10	BJAE	
CCCC1CCC(C(=O)CC2CC3(CC3)C2)CC1	2036731697	XUFHAHAQXNQOMG-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	2037171692	AQBNEHIAUVFPND-IKGGRYGDSA-N	249.442	4.811	0	10	BJAE	
CC1(CCCC2(N)CC(C3CCCCC3)C2)CC1	2037179122	GTVDOHZPTYHIKF-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1CCC[C@@H]([C@@H]2CCC3(CCCC3)C2)C1	2037697002	DFIMZDZODNWFSL-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@@H]1CCC2(CCCC2)C1	2037751428	GWLVPJOMGTZDDK-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1C[C@@H]2CCC[C@@H]2C1	2038614612	OAJNNLMWBRAYBN-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)c2ccc(C3CC3)cc2)C1	2040149598	MNCPRDKFHICLTQ-CHWSQXEVSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](C)C(C)=CC1CC2(C1)CC(C)(C)C2	2040970626	INHDQMALFZQERF-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CCCN[C@H]2CCCC3(CCC3)C2)C1	2041290461	QUZPSIYWURKJSV-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1CCC[C@H]2C[C@@H]21	2045306456	ZANDEOCMPXESJB-QXSJWSMHSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](NC)C1=CCCCCC1	2045734073	YRTWLVWGCNQLBO-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC([C@H](C)NC[C@H]2C=CCC2)CC1	2049424687	JVXPDUXOTCKPQH-SOEBMCCKSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@@](C)(N)C1CCC(CCC)CC1	2049487548	XYQJXLYGGCALNP-OFLPRAFFSA-N	249.442	4.833	0	10	BJAE	
Cc1ccc(C)c(C2(O)CCCCCCCC2)c1	2049696156	FNUGXEYVMJSHDZ-UHFFFAOYSA-N	246.394	4.625	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2049851537	FJAYUZNICJNCGG-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@H]1CCCC2(CC2)C1)C1CCC(N)CC1	2049852175	BJNWHKJHGXDAEF-QRNKSROTSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H](N)c2cccc(C)c2)C1	2050465711	UVEUPWAVJWIGJL-VYDXJSESSA-N	245.410	4.601	0	10	BJAE	
CC1(CN[C@H]2CCCCC23CC3)CCCCCC1	2053333135	SYNXJBDRSHWSBX-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@H]1CCCCC12CC2	2053418688	AJWSDKYTCLPUFD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC=C[C@H]1NCCC1CCCCCC1	2055535567	JIMSNEYDWKGLAQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CCCC=C1C	2055678263	NWVYIIJRNMKMFM-IAGOWNOFSA-N	249.442	4.824	0	10	BJAE	
O=C(CCC1CCCC1)CC1CC(C2CCC2)C1	2056668390	SVXNVFFDUMVFEH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C1(C2CC2)CCCC1	2057608800	JUSNNMFYJLHDBH-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](NC)C2=CC[C@@H](C)CC2)CC1	2060924905	HLGIWXKXWNRLLV-RKHAHWSXSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@]2(C(C)C)CCCCCN2)CC1	2061099515	PQRMRWUKOXXFNP-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@@]2(O)CCCC23CCCC3)CC1	2061101323	FRUKSQUFGQNGCM-YOEHRIQHSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)[C@H]2CCCC[C@@H]2C)CC1	2061116543	QWGAOZYZIHSHIJ-HDEZJCGLSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@@H]1CC(C)(C)CC[C@H]1CNC(C)C	2061563544	PVCMFIBTKFRXNY-CVEARBPZSA-N	249.442	4.548	0	10	BJAE	
CCC(CC)(CC)c1nc2cc(C)cc(C)c2[nH]1	2061870252	KXLABOCSHBDAJO-UHFFFAOYSA-N	244.382	4.648	0	10	BJAE	
CCN[C@H](CC12CCC(CC1)CC2)C1(C)CCC1	2065313534	USMACJRUOLKFBM-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](C)(CCC=C(C)C)Oc1cccc(N)c1	2067109816	HQLFSILOEWQYGJ-INIZCTEOSA-N	247.382	4.563	0	10	BJAE	
Cc1cc(F)cc(NC2CC(CC(C)(C)C)C2)c1	2067983326	RJPUKADHATWNKD-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CC(C)(C)CC1CC(N)(CC[C@]23CCC[C@H]2C3)C1	2067983766	XYONRVVQUHBIDV-BYLPVYNFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068704555	RARAVRHXIDFMNV-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1CCC2CC1C2	2069264618	CXXKJQIWWYGTBC-GQGLESIBSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@H]2CC=CCC2)CCC1	2069334416	DCAODYJGDPHYOG-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C2(C)CC=CC2)CC1	2072876980	FJIKFHPFOHJLIL-SHTZXODSSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@@]23CCCC[C@H]2C3)C1	2074048525	XNMOLMXAITURCD-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN2CCC[C@@H]2C2CCCCC2)CC1	2074595986	WJYGKQRWAPEZFX-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC1CCC(N(C)[C@@H]2CCCCC23CCC3)CC1	2075119500	ONJQTXJFFFAIMS-UYSNPLJNSA-N	249.442	4.610	0	10	BJAE	
Cc1cccc(CN(C)CCCCCC(C)C)c1	2075145588	JCQYOVPSUJSOOI-UHFFFAOYSA-N	247.426	4.643	0	10	BJAE	
C[C@H](N(C)C[C@H]1CC=CCC1)C1(C)CCCCC1	2075167836	MEFVSPDHZINODP-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CCCCc1ccc([C@](C)(O)CC(C)(C)C)cc1	2077925972	VYWIOGDDLQLLBU-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1C[C@H]1C1CCC1	2079423019	FCEKHXZBFNYDBA-IKGGRYGDSA-N	249.442	4.514	0	10	BJAE	
N[C@H](C1CCCCCC1)[C@H]1C[C@H]1C1CCCCC1	2079428843	SBVUNTAEHQROSA-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
NC1(C[C@@H]2C[C@H]2C2CCCCC2)CCCCCC1	2079672350	VYTNQKRDUHKVNQ-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2C[C@H]2C2CCCCC2)CC1	2079834001	ZTOWXBYJYRDPSU-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CC(C)(C)CC2(CC2)C1	2079886519	OWRVDSUZHUROKO-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@@](C)(O)[C@H](C)CCC(C)C	2081225562	YKDGUGOTIBLDOP-PBHICJAKSA-N	248.410	4.529	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](C)CC1CCCC1	2081946431	HLFFSEPYFCUCSN-LBPRGKRZSA-N	249.373	4.769	0	10	BJAE	
Cc1cccc(NCc2cc(C)cc(C)c2C)c1	2082904416	XVHAFEPHIGBCRC-UHFFFAOYSA-N	239.362	4.532	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@@H]2CC[C@H](C)C2)c1	2082957776	OFJKYDQCNFMBLK-XHDPSFHLSA-N	244.378	4.621	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H]2CCCC3(CC3)C2)C1	2085001900	SRSMKQSASOHBQB-SLTAFYQDSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)CC(=O)c1oc2cc(C)ccc2c1C	2086604173	SRBRQTVHQJCQCH-JTQLQIEISA-N	244.334	4.669	0	10	BJAE	
CCCN[C@@H](c1cccs1)C(C)(C)CCC	2212117228	OAHKXWRNKWTSSS-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H]1C[C@H](CC(C)(C)C)C1	2213131869	VMNQLJQXFLCCLX-MGPQQGTHSA-N	239.447	4.616	0	10	BJAE	
CSc1cccc(C(=O)CCCCC2CC2)c1	2214551134	CKUJZXWNMQPBEQ-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CC)C(C)(C)CC	2215247665	HENQZHJGWKCUKN-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@H]1CCCC(C)(C)C1	2215334642	SXLCJWOEODNWAE-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC1(C)CC(C)(C)C1	2215400896	KXZXDRMNVZNJNM-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C(=O)CC2(C)CC3(CCC3)C2)cs1	2215430989	GISKQUGFNMCEQT-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCC[C@H](C(C)(C)C)C1	2216253673	TVZFKAZBWMQWBW-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@H](N)CCCCCCCC1CC1	2216878636	WBQKGXHVXXXKJL-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC1=C(C)[C@@H](Nc2ccnc(C(C)C)c2)CCC1	2220867246	QOVAAIMYJIOPSM-HNNXBMFYSA-N	244.382	4.506	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@H]2CC3CCC2CC3)C1	2221075797	KKEUZFDLIJURQI-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC1CCCC1)[C@]1(C)CC=C(C)CC1	2221623850	MDXADYJGDUMASW-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
C[C@](N)(CC1CC1)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222949931	TXHDGAJJLJCWPS-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CC[C@H]1C1CC1	2223112196	ATLRCONCPRKBSU-DLBZAZTESA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@@H](N)c1ccc(C2CCC2)cc1	2223699330	AUWRDAMMKRJMFN-PBFPGSCMSA-N	245.410	4.636	0	10	BJAE	
CC1(CCCC(=O)c2ccc3occc3c2)CC1	2224151228	PJEYPPSRJYXPLQ-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H]1CCC1(C)C	2243137715	LAGNNXPNWLTEOM-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1CCC(C)CC1	2244773822	CIZXDPPZEXMXQX-JXQTWKCFSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H](CC)CCC	2244786064	YVKVWEDURAOAST-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CC1CC(C)(Cn2ccc3cc(Cl)ccc32)C1	2246544690	XGUAPMUQDPMZLS-UHFFFAOYSA-N	247.769	4.731	0	10	BJAE	
CCCC[C@H](CC[C@H]1CCCCC12CC2)NC	2246620926	RBDHYKSDISOOTG-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc2c1N[C@@H](CCC(C)(C)C)CC2	2246647790	SSNFEDFQHDURMH-CQSZACIVSA-N	231.383	4.548	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1CC[C@@H]1CCC[C@H](C)C1	2246661954	COFIYTLVEJNBJN-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CC[C@H]1CCC[C@@H](C)C1)CC(C)(C)C	2246731611	HUXDSTOUSPJVSF-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2CCC2(C)C)CC1	2247438998	HVSXOZPIVANXJF-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1=CCCCC1	2247460239	ZMGVRMXBUYNPQH-OAHLLOKOSA-N	236.399	4.908	0	10	BJAE	
CCC[C@H](C)[C@H](O)c1cc(C)c2sccc2c1	2248569775	TYGYBQCFHCBXJE-HZMBPMFUSA-N	248.391	4.679	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2cccc(C(C)(C)C)c2)C1	2249304700	WGBQKMJTQQHVBH-IUODEOHRSA-N	231.383	4.585	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@]12CCC[C@@H]1CC2	2251212499	RQLGOQNPKBIGDL-PMPSAXMXSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(N)CC(C)(C)CCC1(C)C	2251666123	OSNAJFPVMXSCOB-CZUORRHYSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C(=O)CC[C@@H]2CCCCC23CC3)CC1	2253797729	WKULKTNZEGXGSI-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@H]1CCCC[C@H]1C)CC2	2253852847	HPZPDIXXAGBYBS-KCXAZCMYSA-N	243.394	4.548	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](N)CC[C@H]1CCCCC12CC2	2253854879	MNLZAOJCVXCSRV-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)CC23CCCCC3)C1	2253972736	XLNGCGFVFORVEQ-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC[C@](O)(CCCC[C@@H]1C[C@@H]1C)c1ccccc1	2254540638	ZUNYRQWBMYOFLC-UXLLHSPISA-N	246.394	4.501	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2CCCC23CC3)CCCCC1	2255227762	PKNZJZUAXSCLIT-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](CC[C@H]2CCCC23CC3)N1	2255339528	WHKHMVWVXBNNDC-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@@]23CCC[C@H]2C3)c1	2257904997	FNQNPHLDBACVRY-YOEHRIQHSA-N	243.394	4.586	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@@H]1CCCC[C@H]1C)C2	2259575718	AGWVKAJDWMCWNS-ZOWMAVEFSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@@]23CCC[C@H]2CC3)C1	2260569574	WWAQOZYYICVUMZ-CLBVLKOUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@]12CCC[C@@H]1CC2)C1(CC)CCC1	2260598271	AHDXSSFBXXIRBS-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1C(=O)c1cccc(C2CCCC2)c1	2260730605	LKAHPUPWEHEJIU-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CCC=C[C@@]1(N)CC1CC(CC(C)(C)C)C1	2261263173	GBSGJHKHPCGFBZ-ARAOSMHQSA-N	249.442	4.523	0	10	BJAE	
CC1CC(CC[C@H](N)C2=CC[C@@H](C(C)C)CC2)C1	2261496399	YPOUULOBDCJTTO-BOXZVXIZSA-N	249.442	4.523	0	10	BJAE	
CCC(CC)CCCC(=O)c1ccccc1F	2300685455	FTPYJOWBSRSHQT-UHFFFAOYSA-N	236.330	4.615	0	10	BJAE	
CCC(CC)CCC(=O)[C@H](C)c1ccccc1	2300691150	QCRNCMQAMKDOED-CYBMUJFWSA-N	232.367	4.576	0	10	BJAE	
CCC(C)=CCc1ccc(C(F)(F)F)cc1F	2300865284	LSBNZBNZJAJSOK-UHFFFAOYSA-N	246.247	4.743	0	10	BJAE	
CCC(C)=CCC[C@H]1CCOc2ccccc21	2300927996	AGTMHHSIGYNKIE-AWEZNQCLSA-N	230.351	4.689	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N[C@]1(C)CCCCC1(C)C	2301962667	VLSXFWXUOBQOGH-SQWLQELKSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N(C)C1CCC(C)(C)CC1	2301985117	XQEBRRMISOKDCG-KGLIPLIRSA-N	239.447	4.568	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc(CC3CCC3)cs2)C1	2302263920	ZCMXWPHBIVMMPZ-YPMHNXCESA-N	249.423	4.779	0	10	BJAE	
CC(C)CCC[C@@H](O)CCCC1=CCCCC1	2302325298	GCVBZCICUNIOTL-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CN[C@@H](CCC(C)C)C[C@@H]1CCC(C)=C(C)C1	2303577009	CIJBOTWBBZTXER-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)C(=O)CC[C@@H]1CCC(C)(C)C1	2304437449	QRTRNDHEFAKBPX-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCCCCc1ccc([C@@H](C)C(C)=O)cc1	2307640528	QXUSKWDRVUSPRQ-ZDUSSCGKSA-N	232.367	4.502	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@H](C)C(C)(C)C	2307907412	LGPBSCHIILYUBA-ILXRZTDVSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1C[C@@H](C)C[C@H](C)C1	2307926726	QIIFWAMYWUNGLX-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309142273	DEKKQIPDVJCHOK-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C1CC1	2309180824	LAQADWRBGBFEMB-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C[C@@]23CCC[C@@H]2CC3)C1	2313321207	JRHCYZLIXMEJNO-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]([C@@H](C)CC1CCC1)[C@@]1(C)CC=CCC1	2313659981	HWQSPSFSUSSCGU-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CC(=CCC1=C[C@@H](N)C[C@H](C)C1)CCCC(C)C	2316506377	NKUACCRJGAYHDM-WBVHZDCISA-N	249.442	4.833	0	10	BJAE	
N[C@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCCCC1	2316880771	ZDHCZBCZKWNCFJ-XJNFMUPTSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C1CC(CC2CC2)C1	2316880990	MGJHTCXTQVUUMM-JCYILVPMSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCCC1)C1CC(=C2CCC2)C1	2316886351	QJCCBVTUZHUHJE-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CC1(CN[C@H]2C[C@H]3CCC[C@H]2CC3)CCCCC1	2317017115	XZEXACGFBINGTQ-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC)CC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317154043	DQKGTPCQUJFTIL-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N1CCCCc2ccccc21	2318002338	WVGFPOBNUVWADX-HUUCEWRRSA-N	245.410	4.510	0	10	BJAE	
CC(C)(C)[C@@H](NCCCC1=CCCCC1)C1CC1	2318544484	YPLHLHLCGNBSIA-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)C[C@H]1CC=CCC1	2318937062	VMJCIIUBLBHDIE-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)C[C@H]1CC12CCCCC2	2318940077	YYYDVWKXTHLLEU-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC[C@@H]1CC[C@@H]1C1CC1	2319741093	ZTNHPJISPKMCSK-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@@H]1CC[C@H]1C(C)(C)C	2320219049	GDMNEACVTSFRJR-BZUAXINKSA-N	249.442	4.559	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)C2(C)CCCCC2)CC1	2320348482	QSVYPLMGYZQGLA-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CC[C@@H](C(C)C)C2)CC1	2320349063	WJZPUBUDGNSQBH-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@@H]2CCC(C)=C(C)C2)C1	2320420461	PUYVBWCWFVRAAR-ARFHVFGLSA-N	248.410	4.908	0	10	BJAE	
C[C@H](C[C@@](N)(CC1CC1)C1CC1)C1CCCCC1	2320629499	UCUAGPOVQJBHSA-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(NCC[C@H]2CCC(C)(C)C2)cc1	2321528983	KPJUPOJUKUVDSZ-OAHLLOKOSA-N	245.410	4.877	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2CCC[C@@H]3C[C@H]32)C1	2321604298	ACUYUFLNEKLIGK-GBJTYRQASA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@]23CCCC[C@@H]2C3)C1	2321619854	PPNHSCWMGJQYQE-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
CCCC1CCC(CC[C@]23C[C@H](CCN2)C3)CC1	2326628942	WMDXTWDAXIBXNP-UCUFBTAOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@H]2C[C@H]3CC[C@H]2C3)c1F	2327778379	OTJWZRVGOCQQMH-HUBLWGQQSA-N	247.357	4.550	0	10	BJAE	
CC1=C2CC[C@H](C)[C@]23CC[C@@H](C3)C1(C)C	30730502	CYLSPJUZBPWJGC-ITDIGPHOSA-N	204.357	4.559	0	10	BJAE	in-vitro
CCC[C@H](N[C@@H](C)[C@@H](C)CC)c1ccccc1	37062378	JQYGMMBIJJNTSC-DZKIICNBSA-N	233.399	4.552	0	10	BJAE	
Cc1cc([C@@H](C)N[C@H](C)C2CCCCC2)c(C)o1	44729875	AQXSYEXSPSDBRM-CHWSQXEVSA-N	249.398	4.516	0	10	BJAE	
CC(=O)c1ccccc1S[C@H]1CCC[C@@H](C)C1	54691638	QUZSXZDKVZWRNT-YPMHNXCESA-N	248.391	4.560	0	10	BJAE	
CCCCC(CC)(CCCC)CNC(C)C	71127971	NJCZQPHLCXRZGW-UHFFFAOYSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](C)[C@@H](N)c1ccc(C)c2ccccc12	79904595	ONUOSVMRFLWBTB-SUMWQHHRSA-N	241.378	4.584	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccccc2C(C)(C)C)C1	80432655	LKEGQOXKBFDLDD-ZIAGYGMSSA-N	245.410	4.975	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@H]2CCC[C@@H](CC)C2)C1	85064187	XLGNEUAVUMGGKN-SYMSYNOKSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CCC[C@H](CC)C1	87989829	URJNKAXECCOWMY-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@@H](CNC(C)C)c1cccc(C)c1	94675632	UKEMISCBBNRRPE-QGZVFWFLSA-N	247.426	4.513	0	10	BJAE	
C/C=C\C[C@@H](C)c1ccc(CCC)cc1	107477432	PXDUODYVMOUVBR-RYWCDNDXSA-N	202.341	4.709	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1cccc(C2CCC2)c1	133578210	CTKFGVBLALQBJF-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
ClCc1ccc(Cl)cc1-c1ccccc1	146371633	BDXVDGUJCBPVOK-UHFFFAOYSA-N	237.129	4.746	0	10	BJAE	
CCC(CC)COc1ccc(C(C)(C)C)cc1	149499945	LDOVBOAWEBBPRU-UHFFFAOYSA-N	234.383	4.799	0	10	BJAE	
CCC(CC)C[C@H]1CCC[C@H]1CNC(C)(C)C	150078886	PFENWDKLBYCANB-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CNC(C)(C)C)C(C)(C)C	162400179	NSTQXHCHRHAUBO-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2ccc(C)cc2F)C1	166310200	OPTSCRDUQPIASA-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
CC(C)CCC(=O)C1(CC(C)C)CCCC1	167963599	KPBZCHKWZHBJCE-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@H](O)CCC(C)C	168262144	SHZRGAAMORFIFK-USXIJHARSA-N	248.410	4.613	0	10	BJAE	
CCCC(CCC)C(=O)[C@H]1CCC[C@@H](C)C1	168498770	DXWDUGZGDFNANQ-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)c2ccccc2C2CCC2)C1	168877210	OMBGLAJIMAAJGQ-GXTWGEPZSA-N	242.362	4.573	0	10	BJAE	
CC(=O)c1cccc([C@H]2CCCC(C)(C)C2)c1	216514326	JFTZOMJMVOGGMQ-HNNXBMFYSA-N	230.351	4.573	0	10	BJAE	
CN[C@@H](CCCC(C)C)[C@@H]1CCCCC1(C)C	226879903	JHKVOHOILHFWPC-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@]2(O)CCCC(C)(C)C2)C1	226908591	SOHPHGPUYZBSFX-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@@H]1CCC[C@@H](CC)C1	227393756	RWVWVDDPNCJRPQ-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)c1cc(C)cc(C)c1	229327729	NFWRUVIRTIRROB-UAGQMJEPSA-N	245.410	4.520	0	10	BJAE	
CC(C)(C)NCC/C=C/C1=CCCCCCC1	232566806	TZKVVRVCVQMOEC-AYSJMRJXSA-N	235.415	4.601	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H](C)c1ccccc1	232962238	FWKNOJNOWZKDPJ-RDJZCZTQSA-N	247.426	4.739	0	10	BJAE	
CCC[C@@H](C)c1c[nH]c2ccc(Cl)cc12	233285352	MDWJBNDVMVJCNU-SECBINFHSA-N	221.731	4.725	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCC[C@H]1C	251419069	YIZHXKVRUVZTPZ-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)c1ccc(Cl)s1	309085110	WIJUKMHLBROSJT-JTQLQIEISA-N	246.803	4.507	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CCC(C)C)C1CC1	310314828	WIZGLGNKFMDUQL-GOEBONIOSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC[C@H]1C)C1CCCC1	313459691	FWXXUYJYMPIFAQ-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)C1(CNCC)CCCCCCC1	317226289	UINGXJOQUCHPDH-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1C)[C@@H](C)[C@@H](C)CC	320098121	QDBLJSXHURKLHZ-QRTARXTBSA-N	247.426	4.636	0	10	BJAE	
CC(C)/C(=C/[C@@H](C)C1CCCCC1)CNC1CC1	381227195	HLDGINMLLSTDAM-DSQDWWTGSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCCC[C@H]1O	383088949	BRMNZJSMIPMJJY-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C2(C)CCCCC2)C1	383433494	CDYNHBQIMLDFIS-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC/C=C\CN[C@@H]1CCCC[C@@H]1C1CCCCC1	385101656	ZUIMIKJVLLQDTA-BDTMGWJLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H](NC[C@H](C)C(C)(C)C)c2ccccc21	385771064	VTKXZONHSKPMHK-DVOMOZLQSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@H](CC)CNCC1(CC(C)C)CC1	391973223	HJNCBPOMNURVDS-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H]2CC23CCCCC3)C1	394518987	GAHZSDOBSRLDEY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCc1cc2ccc(C(F)F)c(CC)c2s1	396169019	PSKNWGBOXGOOQD-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@@H](C)C(C)(C)C	399306537	KMVBVOQPMXTUSJ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)NCC1(C(C)C)CCC1	687274030	NPDKITOUZPVDRE-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](CC)(CCCC(F)F)CNCC	688744505	AYBQTBAOGUVZJR-AWEZNQCLSA-N	249.389	4.618	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)CC1CCCC1	689831484	MTUHUAYFUPBDTN-GDBMZVCRSA-N	239.447	4.904	0	10	BJAE	
CC(C)=CCCOc1ccccc1C(C)C	697785849	YATDCWNYPHTTNX-UHFFFAOYSA-N	218.340	4.545	0	10	BJAE	
Cc1cc(NC2C(C)(C)CCC2(C)C)ccc1F	699622519	RRRNQOPOKCKCGD-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@]1(C)CC[C@@H](C)C1(C)C	701108562	AWCNHXUWGHZKSX-WWGRRREGSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC(C[C@@](C)(N)CC2CCC2)CC1	704847899	SDVZTXVZTOURSY-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(N)CC1CCCCC1	704890434	RYQWLXUOHROPGV-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@H]1CCCC12CC2	706310087	JIQUTDPBIWUCRY-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@H](C)CC(C)(C)C	708299532	YSVIEJKQBNGAPE-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(F)c(NC[C@H](C)CC(C)(C)C)c1	709106839	PNVYRDZZZSXGQC-GFCCVEGCSA-N	237.362	4.618	0	10	BJAE	
CCCNC[C@H](CCC)C[C@H](C)CC(C)(C)C	709121954	HIOILGIRIJAWNT-LSDHHAIUSA-N	241.463	4.865	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1ccccc1C1CCC1	709237390	RTGXGQFKWBVOMI-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(N)C[C@@H](C)C(C)(C)C)c1	710751590	GCHKHULNBOOSMP-PBHICJAKSA-N	247.426	4.550	0	10	BJAE	
CCN[C@@H](CCC(C)C)C[C@H](CC)C(C)(C)C	711075229	VHUGLWPGUHPVLQ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@](O)(CC(C)(C)C(C)C)C1CCCC1	713248416	VPMCDAOQIINVHP-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCC(C)(F)F)C[C@H](C)CCC	714027591	MYWLQOYBRBQBSG-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
O=C(CCCC1CC1)[C@@H]1CCC[C@H]2CCCC[C@H]21	714482176	QQORHQDLTNOXIE-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CC(C)(C)CC[C@H]1CN	718492658	HYSOFIUSZVTPBU-CABCVRRESA-N	237.431	4.524	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)c1ccccc1C	718514505	RUNBVYUZWJRZIC-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)[C@@H](C)CC(C)C	720978124	QAWXIFCXBCKSPT-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H]1C[C@H]1CC)NCC	723093226	FGSNXCKIQOBWRE-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCCN1C[C@H](C)CC(C)(C)C	1307483172	OPSQTMDDSITCOL-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC[C@@H]1CCCC(C)(C)C1	1656617794	MFKAEQYEYJCRHY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)c2c(C(C)C)ccc(C)c2n1	1900593778	IFCAATGUXPVFCU-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
CCC(C)=CCC(=O)CCC1CCCCC1	1900848826	MNOOTZSDRKTEJF-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
C1=C[C@H](CC[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	1901143720	KTEKJXSNOWNGFF-YHUYYLMFSA-N	218.384	4.949	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1CCC(C)(C)C1	1902270975	OBSVQIVATVJVJK-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@](C)(N)CC[C@H]1CCC(C)(C)C1	1903422957	VCTQPKYHFRVMAN-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC1(O)CCC(C)(C)CC1	1905385375	ASRGJPBSANPJNQ-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CC1CC(C)(C)C1	1905442534	DPIZVLOXCDUBRJ-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H]1CCCCCCCC1=O	1908594744	HRBACHZVNTWDHN-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CC=CC[C@]1(CNCCC)CCC[C@@H](CC)C1	1912128945	AIYALHXJJRZPCQ-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1ccnc(C2CC2)c1	1913023559	VDEBUAZDCQODEK-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H]1CCC2(CCCC2)C1	1916416239	XSXWJHMZCOPSEN-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CN[C@H]1CCC2(CCCC2)C1	1916442067	JBLKYKLMYNZENY-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1CC[C@H]2C[C@H]2C1	1917328619	HINSAAQAAJYGJU-YQQAZPJKSA-N	241.378	4.555	0	10	BJAE	
CC1(C)C[C@@H]1CCOc1cccc2sccc12	1921469271	JYTZMHOPDMNBDF-NSHDSACASA-N	246.375	4.716	0	10	BJAE	
CCCCCC[C@](C)(O)CC[C@@H]1CC1(C)C	1921547397	XAXTWAIZBVUDFG-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc([C@@H](N)[C@@H](C)C2CCCCC2)c(C)c1	1924135241	JAXPYZSUFFCFOM-YOEHRIQHSA-N	245.410	4.520	0	10	BJAE	
C1=C[C@@H](C[C@@H]2C[C@H]3CC[C@H]2C3)CCCC1	1925819392	JZMSTBVPNRZQFN-CBBWQLFWSA-N	204.357	4.559	0	10	BJAE	
CCC(CC)CCNc1ccc(C)c(OC)c1C	1926185960	LUUSHPPCZBLOQN-UHFFFAOYSA-N	249.398	4.550	0	10	BJAE	
CCC[C@H](CCCC1(C)CCCCC1)NCC	1940410780	UAFOPLGTFCWUFO-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
Cc1ccc(SCCCCCC2CC2)c(N)c1	1941576593	UGAPIQLUSHUGBB-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCCNC[C@](C)(CC)CC1CCC=CCC1	1941793918	QBLBCRWPAHNGCU-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](C(C)(C)CC)C1(C)CC(C)(C)C1	1941984025	PAUMPXKUHBBRAL-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(C(=O)CC2(C)CCCC2)C[C@H](C)C1	1943048435	YZJNGJYTFRFSQM-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C(=O)C1CCCCCC1)C1CCCC1	1944634389	HFKBGVWQSXMAKI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(O)CCCCCCCCC1	1947866335	MEEBUPKQGNRYLV-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)[C@H](C)CC(C)C	1948325308	GDFUQVSUCQKZFL-CHWSQXEVSA-N	237.362	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)C1=CCCCCCC1	1948331338	GFSYWHZFRNCURY-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@@H](C)CCC(C)C	1949082075	ZYOIUVYINASLHP-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC[C@H](N)CC1CCCCC1)C(C)(C)C	1949906913	IZKVKHFMUBCEOJ-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)c1ccc(-c2csc(C=O)c2)cc1	1950204886	GEOARJOXNGLUEF-NSHDSACASA-N	244.359	4.741	0	10	BJAE	
Clc1cccc(Cl)c1CC1CC=CC1	1957143633	BOBITSNCNOCADO-UHFFFAOYSA-N	227.134	4.502	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C[C@H]2C2CCCC2)CC1	1966024208	ZNMILESFHJYDQK-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](Nc1cc(C(C)C)ccc1C)C1CC1	1968603370	ZZKFTQMLUOUWAB-OAHLLOKOSA-N	231.383	4.719	0	10	BJAE	
Cc1cccc(N[C@H](C)C2CC3(CCC3)C2)c1F	1969467006	FQDNKWKNCTWAGM-GFCCVEGCSA-N	247.357	4.515	0	10	BJAE	
CC1(CN2CCCCCCCCC2)CCCC1	1970126737	VOJPNKRUQVSUMK-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
CCCCCC[C@](O)(CC)C1CCCCC1	1975959512	UCHBBELHSWWISR-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CCCC(C)(C)C1	1980275255	XJVOXSCFNYFELP-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CC(C)[C@H](C)CC(=O)C[C@@H](C)CC(C)(C)C	1988300683	SEAXZLYZYVWDCX-CHWSQXEVSA-N	226.404	4.700	0	10	BJAE	
FC(F)c1cccc(CCC2=CCCC2)c1	1988322392	YIMQVISELIPZMA-UHFFFAOYSA-N	222.278	4.667	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccccc1F	1990092789	DRILGKMVXXYLRQ-GFCCVEGCSA-N	223.335	4.597	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2CCC[C@H]2C)n1	1995465761	NXCACPGXOQMLQO-DMDPSCGWSA-N	237.412	4.635	0	10	BJAE	
CCSc1ccccc1NC[C@H]1CC[C@H](C)C1	1996209959	VKQDOJVVFJTXQP-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CC[C@](O)(C1CCC(C)(C)CC1)[C@H](C)C(C)C	1996561202	KTHQDRIMUGSPTC-CZUORRHYSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C1(C)CC=CC1	1997543168	FCSKZBQIADCOFY-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)C1CC(C)(C)C1	1998648122	BMBWZSKTOTVOAP-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CCCC2CCC2)C1	2000189913	FMWMVJHUXQHNHI-DOMZBBRYSA-N	234.383	4.518	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CCC(C)(C)CC	2000193296	JKIIORADCYSHQE-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](C[C@H](CC)C(C)(C)C)CC1(C)CC1	2002513346	AGYMJSLQQUOVFH-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NCC)[C@H](C)C1CCC(CC)CC1	2002926151	OLPWLPTVKDLCSS-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(O)[C@@H]1CCC[C@@H](C)C1	2003005692	KJKQOIJUWWHPRZ-IIAWOOMASA-N	240.431	4.636	0	10	BJAE	
CCCCCC1CCC([C@H](O)C2CCC2)CC1	2003108648	NVMLEOWSVXBWHA-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC)C[C@@H]1CC=C(C)C	2004228182	OGQRFHIVEXSLOJ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
O[C@H](C=C1CCCCC1)CC1CCCCCC1	2007923521	VFGXFDBUOOTKIX-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H](C)C(C)(C)C	2007948245	TYKGERRABLSQCT-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H](C)CCCC	2009629213	RKHRUMDTRGDRJL-TWZSPHTKSA-N	239.447	4.927	0	10	BJAE	
CCCNC[C@](CC)(CCCC(C)C)C(C)C	2012427021	QPCRQYFLWUGCHI-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCC/C=C/CNc1ccc(C(C)(F)F)cc1	2012749937	SBYRYFOEJVDVRW-AATRIKPKSA-N	239.309	4.567	0	10	BJAE	
CN[C@H](CC(C(C)C)C(C)C)[C@@H](C)CC(C)C	2015290075	HIIDGYAQLWVCGS-GOEBONIOSA-N	241.463	4.575	0	10	BJAE	
CCCC[C@@H](CC)CNC1(C(C)(C)C)CCC1	2017102584	KRHPFJATTFIVAB-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(F)CNc1ccc2ccccc2c1	2017464513	RKEYVIQZXXJCDX-UHFFFAOYSA-N	229.298	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(O)CC(C)C)CC1	2017650432	GZVUTMOLIJGEJO-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCCC[C@@H]2O)CC1	2017718610	DASPIYJYEVXHPX-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C)[C@@H](C)NCC)CC1	2017728455	LZSFNRIGMTZUSJ-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](N)(CC)CC[C@@H]1C[C@@H]1C1CC1	2018133520	FMTBROBLZOGCGN-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCC[C@@H](CC)C2)CC1	2018925588	SFPLJAAWLZTRGB-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](C)CN(CC(C)C)c1ccccc1	2019285143	HVUNHMIONUVWNF-OAHLLOKOSA-N	233.399	4.585	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H]1C[C@@H]1C(C)(C)C	2022521950	DSRAHGRRHTUEPZ-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1C[C@@H]1Cn1ccc2ccc(Cl)cc21	2022548705	ADYVWTYCBGREGG-QWHCGFSZSA-N	247.769	4.731	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1CCCC(C)(C)C1	2024093531	CGCJOZJOVZAAIX-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H]1CC[C@@H](C)C1	2026170979	TYANATJGNUBFAY-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
CCc1cccc(CC)c1NC1CCCCCC1	2026874631	WSRNDXUBUQIICI-UHFFFAOYSA-N	245.410	4.946	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)C12CCC(CC1)CC2	2027823720	XLEKUEAMTUZGKI-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(NC[C@@H]2C[C@H]3CCCC[C@H]32)CCC1	2028776861	YFEDMWYFLCSNTM-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1ccccc1CC(C)C	2028916224	WYGLWZSOQUYQSW-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(O)[C@@H](C)CCC(C)C)c1	2029838886	VGELOUCHIMNNCQ-RDJZCZTQSA-N	248.410	4.583	0	10	BJAE	
C[C@@H](N[C@H]1CC(C)(C)CC2(CC2)C1)C1CCCC1	2030285579	AVKOHFJXIGGFGB-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](O)(CC)c1ccc(C2CCCC2)cc1	2031746566	QHTUXMUJQAQFJN-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
O=C(C1CCCCCC1)[C@]12CCCC[C@@H]1CCC2	2031848115	CWDITNKFIZHTME-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(N)CCC3(CCC3)CC2)C1	2032253789	WEXQEPOHTWAKQQ-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC1(C)C2CCC1(C(=O)C[C@@H]1C=CCCC1)CC2	2035564589	PZCPLKSTZHWAPK-TUBUQKNSSA-N	246.394	4.518	0	10	BJAE	
CCC1(C)CC([C@@H](O)c2ccccc2C(C)C)C1	2036476299	PZKFEOVKNTWDLP-BLDCVEFLSA-N	246.394	4.670	0	10	BJAE	
CC[C@](N)(CCC(C)=C(C)C)c1ccc(F)cc1	2037171031	AXJWFFRTIITWDC-INIZCTEOSA-N	249.373	4.526	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1C[C@H](C)C(C)(C)C	2037224490	HCTXGPSHQUPLGA-IPYPFGDCSA-N	245.410	4.904	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CNC3(CCCCC3)C2)C1	2037720582	JJFNAQGVICZKHP-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@@H]1CCC2(CC2)C1	2038568592	RGBCUAHHYXGAAC-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)C2CCC(C)CC2)c1	2040632256	CMQNLVVWMZJPOQ-HRDQMINSSA-N	249.373	4.761	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cccc2ccccc12	2040723141	GKOOFXVMPNDAAM-INIZCTEOSA-N	242.362	4.700	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@H]1CC=CCC1	2042019152	LWYKJHDNRYSDOS-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CCC(C)(C)CC1)[C@H]1CC=CCC1	2042030752	OQBXDMOBOQMFJX-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC=CCCC1)C1CCCCC1	2045324736	YJUYGZAYHWBINX-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1[C@@H](N)C[C@H]1CCC=CCCC1	2045327758	YBLWZEDLQKXHJL-JONQDZQNSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@H]1C(C)=CCC[C@H]1C	2045805739	MKQUNANTVMQMAJ-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1C(C)=CCC[C@@H]1C	2045809354	ZWJARGFDRLTZSH-BBWFWOEESA-N	249.442	4.703	0	10	BJAE	
O=C(CC1=CCCC1)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047427357	NQGWIRNPXCMUOJ-ARFHVFGLSA-N	246.394	4.662	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCCCCC[C@H]21)C1CCCC1	2047438266	RMSREHKIWDCUTR-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CCCC1CC(C(=O)CC2[C@@H]3CCCCC[C@@H]23)C1	2048470771	WHYUYSCNCASXKY-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@@](C)(N)C[C@@H]2CC=CCC2)CC1	2049420801	VVNHZUNASHYRLB-MYBQVCMBSA-N	249.442	4.667	0	10	BJAE	
CC(C)(CCC(=O)C1CC(CC2CC2)C1)C1CC1	2050214096	UHJZWIAZDPZZFZ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C2CC(CC3CC3)C2)C1	2050218160	XQMYXZKJGHQQKW-WHPGWMBPSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@@H]1CCC[C@H]2CC[C@H]21)C1CCCCCC1	2052286972	RLPLQGLHYIBUPT-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H]2CCCC[C@H]21)C1(C)CCC1	2052349731	SZBVHDFTTCPCJU-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC1CC1)C1(C2CC2)CCCC1	2057604523	SFPVQROEXOBNJS-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC(N[C@@H](C2CCCCC2)C2CC2)C1	2059392865	XQLZNLGYMXJNKL-IMRCBTMISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H]1NCC[C@]12CCC1(CCCCC1)C2	2059470290	PLLSTYMAVKPGSM-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)C2CCCCCCC2)CC1	2061099326	OHNFWPQWDQXCKU-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC=C[C@](N)(C[C@@H]2CCC=CCCC2)C1	2063650609	VHSAQASPHCKXCB-WBVHZDCISA-N	247.426	4.587	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)CC12CCC(CC1)C2	2065273633	YWMTWIATOZBGPA-SMOLVSOFSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H]2CCc3ccccc3N2)CCC1	2069341079	BFRPRNTXKLLHIQ-HNNXBMFYSA-N	243.394	4.774	0	10	BJAE	
CCCC1(CN2CCC23CCCCCC3)CCC1	2070394610	GMPONQWWPMSSSK-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@@H]2CCCC23CCCC3)CC1	2072668474	BKAQTLYYDYYGFY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)C=CCC[C@H]2C)CC1	2072880769	ZOVRJXZLEPKGOR-VXLLPVPCSA-N	249.442	4.667	0	10	BJAE	
CCCC1(CC[C@@H](NC)c2cccc(C)c2)CC1	2074635433	CHNFPMFOWPGVMG-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC(C)CC[C@H](C)N1C[C@@H](C)Cc2ccccc21	2075232558	BUNPRASTBIVLJN-GJZGRUSLSA-N	245.410	4.510	0	10	BJAE	
CC(C)CC[C@@H](C)N1CC[C@H](C)c2ccccc21	2075234290	VWMZKLMANQPFTL-LSDHHAIUSA-N	245.410	4.825	0	10	BJAE	
CCCN[C@H]1[C@@H](C2=CCCCC2)CCCC1(C)C	2076402001	QDLJDHKPGIDBIU-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H]1C[C@@H]1C1CCCC1	2079473136	JRKIAGALSSWPQP-HZPDHXFCSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H]2C[C@@H]2C2CCCC2)C1	2079859450	BMYGLGAMMPPYHA-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
C[C@@](N)(C[C@H]1C[C@H]1C1CCCC1)C1CCCCC1	2079882848	AXRZYRJSJUAKPP-HYVNUMGLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CC[C@H]3CCC[C@H]3N2)C1	2082982774	NKUVBLJXVHBNCM-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CN[C@@H]1CCC(C)(C)C[C@H]1C[C@H]1C=CCCCC1	2083034935	DVDDELRWGRDZIZ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@](C)(N)c1cc(C)sc1C	2211650160	GVRKMAIKDYPAIU-CQSZACIVSA-N	239.428	4.509	0	10	BJAE	
CC[C@H](CN)CCCCCCCCC1CC1	2212465519	ZRECQFSPSREPTE-AWEZNQCLSA-N	225.420	4.502	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CCCCCCC1CC1	2213579191	QWTFYPFCEWUZIC-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCNCC1(CCCCC2CC2)CCCC1	2214580764	MCJMWDGQKIYKGI-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CN[C@H](CCCCCC(C)C)CCCC(F)F	2216418776	SCRWYMBSFKUQHO-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H]1C[C@H]1NCCCCCCCC1CC1	2216884532	WFIFCBXNFNNRCO-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@]1(CN[C@@H](C)CC)CC=CC[C@@H]1C	2217143033	YNBGCYGUTURPGS-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
Fc1ccc(CCC=Cc2ccccc2)c(F)c1	2219079109	VUHHBSMUCNTBGE-UHFFFAOYSA-N	244.284	4.611	0	10	BJAE	
CCCc1ccccc1[C@@H](N)CCCCC1CC1	2220030442	LVCAEJYNMWSOQC-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCNC[C@]1(CCCCC2CC2)CCCC12CC2	2220038779	HIAAWMOLDVWOSQ-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)c1cccc(C2CC2)c1	2220965278	YYFAZCFKUSGKOT-SWLSCSKDSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)C[C@H]2CCC23CCC3)C1	2221023299	PJLLPEWMUCLXFM-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@@](CN)(CC2(C)CC3(CCC3)C2)C1	2221028450	PZVKBDDBXFEAAO-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](C1CC(C)(C)C1)[C@@]1(C)CC=C(C)CC1	2221627347	AZDJPZJRNXABNK-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	2221646986	YQFVMQYMSHRFPY-VYDXJSESSA-N	246.394	4.518	0	10	BJAE	
CC1=CC[C@](CNC(C)C)(CC2CCCC2)CC1	2221649841	YIFYSCMQYCBMLS-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)[C@@H](CC(C)C)C(C)C	2222008664	ILENRFLEGROJMN-RDJZCZTQSA-N	247.426	4.622	0	10	BJAE	
CCC1(CC(=O)c2cccc3ccoc23)CCC1	2224158838	QYDBFQYXULXVCJ-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CC[C@H](N)C(C)=CC[C@@H](C)CCCC(C)C	2244844923	IOHIWCCWICVJGE-ZFWWWQNUSA-N	225.420	4.523	0	10	BJAE	
CCC1CC(C(=O)CC[C@H]2CCC[C@H](C)C2)C1	2246660611	RGUTVEWSVFFCLJ-FGZQJIAISA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](CC[C@H]2CCC[C@@H](C)C2)C1	2246665521	RTXCKIWTCUKXAP-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@](C)(CC)CCCC[C@@H]1C[C@@H]1C	2247167876	YWIKPTBGYSVQSO-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@](C)(N)CC[C@@H]1CCCC12CC2	2247583818	NJTDLUUHCBYLET-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)C1(C)CCCC1	2248810246	VUKRWPKMEXSBKQ-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](C)(O)CCCCC[C@@H]1C[C@@H]1C	2248871912	RCLSWALLOYEWPB-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@H](C)[C@@H]1O	2250477838	BTOFXELSUQOILU-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC[C@@H](N)C1CC1	2250481053	JNADYUZYAYPKOA-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC1CC(CCC(=O)CCCCC(C)(F)F)C1	2251768767	BHFJEFZIVDLDPQ-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C[C@H]1CCCCC12CC2	2253783336	MQFVCWLJOWRKKD-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC1CC(C)(C[C@@H](N)C[C@H]2CCCCC23CC3)C1	2253806514	HNENZDSCMXDNOT-FYRZTWFESA-N	249.442	4.501	0	10	BJAE	
CC1(CNCC[C@@H]2CCCCC23CC3)CCCC1	2253884034	OZZXIHOALZEZHT-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
O=C(CCCC1CC1)CC[C@@H]1CCCCC12CC2	2253884956	XRUAOEIPXJGTGN-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@@H]2CCC23CCC3)C1	2254822830	UGCJJOMIMZAITF-GOEBONIOSA-N	249.442	4.502	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@@H]1CCC1(C)C	2254831834	WPXTWUHWEQSPPN-BBRMVZONSA-N	245.410	4.636	0	10	BJAE	
CCc1cccc(CC)c1NCC1=CCCCC1	2255095324	FGXYATKPXQXOTN-UHFFFAOYSA-N	243.394	4.724	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CC[C@@H](C)[C@H](C)C1	2256115698	QEAOARLEYWFSSG-YRGRVCCFSA-N	249.373	4.625	0	10	BJAE	
CCN[C@H](CCCCC[C@@H]1C[C@H]1C)C1CC=CC1	2257304326	AVUVYTSKIHWQEA-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1CNC12CCCCC2	2257362569	SQWGWGYLEYIXOS-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C1=CCCC(Nc2cccc3ccccc23)CC1	2257926673	QKKKGLWKCZYMTR-UHFFFAOYSA-N	237.346	4.751	0	10	BJAE	
CC[C@H](Nc1cc(C2CC2)ccc1F)[C@@H]1C[C@@H]1C	2259128198	YIXRIZNQJBGYOE-ZBINZKHDSA-N	247.357	4.550	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](C)c1cc(C)ccc1C	2259463762	OEFFSZVVENZGQU-JKSUJKDBSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CC1CC2(CC(C)C2)C1	2259572465	SOYPHMUTVOISDN-VTMVDAKESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H]1CCNc2ccc(F)cc21	2261346307	CBZSMYQODATUPQ-NWDGAFQWSA-N	247.357	4.551	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CC[C@@H]2C[C@@H]2C)CC1	2298125647	QKGYSQUASCRCMY-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H]1NCC=C(C)CCCC(C)C	2300864522	BNBJXXYLIUSYNZ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(-c2ccnc3ccccc23)sc1C	2301456950	ACFZRXFACJXSEC-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CC(C)C(CCN[C@@H](C)[C@@H](C)C(C)C)C(C)C	2301711566	SXLQTMJJHYWFSW-GJZGRUSLSA-N	241.463	4.575	0	10	BJAE	
CCc1ncsc1-c1ccccc1C1CCC1	2301780631	LCLKGESSXITYKH-UHFFFAOYSA-N	243.375	4.640	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C[C@H](C)C(C)C	2301898962	DTZWXCONRRVSAY-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)c1sccc1C1CC1	2302615613	OEXGWVGJNLQPAW-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@@H]2CCC(C)(C)C2)C1	2302721881	LUNJRSMPPPVEKN-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(=CCCNC(C)C)C[C@@H]1CCC(C)(C)C1	2302761358	QXQIQYDSNPNMAC-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@@H]1CCC(C)(C)C1	2302765714	MNTKWFQZADZQCK-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CCC(C)=C(C)C1	2303457947	AIFOGWNQWPDWNL-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CCC(C)=C(C)C1	2303469097	DVGUKMNITOXLSV-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCc1cc(F)cc(N[C@H](C)c2cccs2)c1	2304016981	RAYLAOBNVQXVAJ-SNVBAGLBSA-N	249.354	4.623	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)CC[C@H]1CCC(C)(C)C1	2304360013	PHQZHZFMIVWTKG-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@@]23CCC[C@@H]2C3)Nc2ccccc21	2310882296	JJCHMQZJFIHDJU-WVZRYYJFSA-N	241.378	4.555	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2311163319	FIQKSNXPASDDRZ-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2313321689	SHJSRLPMTRLAGE-ANQUJSFKSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(CN)CCCCC12CCC2	2313581431	RUQCPLFFEXKOKE-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H](N)C1CC2(CCCCC2)C1	2313692305	MXTFNEHAVBAYKP-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(N)(CC1CC1)CC1CC1	2315448676	DRCDEGVJUAWPER-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1C[C@H]1c1ccccc1	2316273523	PGSWSZFKTJEMSD-HOTGVXAUSA-N	244.378	4.576	0	10	BJAE	
CCC(C)=CC[C@]1(CNC(C)C)C[C@H]2CC[C@H]1C2	2316491484	OEBCGMKIZYNGBE-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1C[C@H]1C[C@H]2CCC[C@H]1CC2	2316937278	AUNXJJQPKXWHGB-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317159866	XRFOCSJHBUEWPV-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)[C@@H](C)[C@H](C)C(C)C)c1	2317827372	LCJMDHPSHXNGSJ-UKPHBRMFSA-N	248.410	4.573	0	10	BJAE	
Cc1cc(C)c([C@H](N)[C@@H](C)[C@@H](C)C(C)C)c(C)c1	2317905312	AHZTXKGZYUSTQQ-YQQAZPJKSA-N	247.426	4.540	0	10	BJAE	
CCc1occc1[C@@H](N)CCCC1=CCCCC1	2318589038	MHMLAGGGZKTGRR-HNNXBMFYSA-N	247.382	4.513	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C[C@@H]1C=CCCC1	2318879650	DKCMMSBXTPONKD-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CCCC23CCCC3)C1	2319316538	CTWFTLCSAGIUKF-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC[C@@H]1CC[C@@H]1C1CC1	2319733951	MVTWKSAZHSLHLF-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CCC1(NCC[C@H]2CC[C@@H]2C2CC2)CCCCC1	2319749437	NGBNFTAKYJQROZ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(=C[C@@H]1CC[C@@H]1C(C)(C)C)C[C@@H]1CCCCN1	2320239161	BNEAMQCRKBPOQS-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC12CC([C@]3(N)CCC[C@@H](C)CC3)(C1)C2	2321588073	CZLVDBOUXKXONR-VXLLPVPCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)C[C@@]23CCC[C@@H]2C3)C1	2321642854	SBAACUGFBPNDPX-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
c1coc(-c2ccc(-c3cccs3)s2)c1	6093519	SOUVBXUKDYVFHW-UHFFFAOYSA-N	232.329	4.737	0	10	BJAE	
Cc1ccccc1N[C@@H]1C[C@@H](C)CC(C)(C)C1	20551058	BKDFQZCALKGWMV-TZMCWYRMSA-N	231.383	4.622	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H](C)c1ccccc1C	21505946	BNOGXGOEEJSBKE-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccccc2F)cc1C	22152464	FJNIBDRGCYAOPY-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCC(=O)c1ccc(-c2ccccc2F)s1	36927415	SURXUYIACKTESV-UHFFFAOYSA-N	248.322	4.537	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@H]1CCC[C@H](C)C1	37253761	ICHHHXVAICPMHB-GJZGRUSLSA-N	239.447	4.616	0	10	BJAE	
CCc1sc(-c2ccc(C(C)C)cc2)cc1N	77096404	UKCNHBVJSBYRHH-UHFFFAOYSA-N	245.391	4.683	0	10	BJAE	
CCCCC(CN)(CCCC)CCCC	80230247	FJSBVAJMYGAWGX-UHFFFAOYSA-N	213.409	4.502	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC(C2CC2)C2CC2)CC1	86923166	ZSXLFMMMOPVWHL-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@@H](CNCCC)c1ccccc1	88097886	SWDPTDVIVIXTLG-KRWDZBQOSA-N	247.426	4.740	0	10	BJAE	
CC[C@H]1CCC[C@@H](Sc2cccc(C=O)c2)C1	90870243	USCBSCBSXQILHB-GXTWGEPZSA-N	248.391	4.560	0	10	BJAE	
CCCNC[C@@H](C[C@@H](C)CC)c1cccc(C)c1	93127086	OOZVCISYIUGARJ-WMLDXEAASA-N	247.426	4.514	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1cccc(F)c1F	107507216	AMTFLACXGUCXBV-ISALQUGTSA-N	224.294	4.815	0	10	BJAE	
CCCCC(=O)c1cc(C)c(Cl)cc1Cl	107997989	RCQCVFCZNOZIQH-UHFFFAOYSA-N	245.149	4.675	0	10	BJAE	
CC(C)c1cc2c(c(C(C)C)c1)CCCCC2=O	110268264	LDKVSBGKZGLNRJ-UHFFFAOYSA-N	244.378	4.843	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1cc(C)c(C)cc1C	125322863	NMONOHPLXNKEJX-NVXWUHKLSA-N	248.410	4.862	0	10	BJAE	
CCCCC[C@H](NCC)[C@H](CC)c1ccccc1	159502597	RYJUAGKUGKHXIQ-SJORKVTESA-N	247.426	4.739	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C[C@@H](C)CCC	162164542	VLEKXYFLBSLLJV-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(C)ccc1C	163957175	DYZAFRUALYDNQZ-ZMSDIMECSA-N	245.410	4.533	0	10	BJAE	
CCC1(C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)CCCC1	166067826	BXLYFEAVZLQCRK-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC1CCC1)C1(CC)CCCC1	167155384	FDCVDLZUFZGQFS-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cc(C)cc(Cl)c1	168031820	ORONPMOJDZPGKQ-JTQLQIEISA-N	238.758	4.657	0	10	BJAE	
CCN[C@H](CC(C)C)c1cccc(C2CCC2)c1	169027138	PSDPNIGATDOFEN-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCCC(CCC)C(=O)Cc1cc(C)ccc1C	212051396	CRGSEQGKOHHICO-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCCC[C@H]1C(C)C	214449345	STQFDCLQKPHSTH-LSDHHAIUSA-N	249.373	4.761	0	10	BJAE	
Cc1ccc([C@@H](N)[C@@H]2CCCCC2(C)C)c(C)c1	226543658	SICRMGRECUVSRM-JKSUJKDBSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@@H](c1ccoc1)[C@H]1CCC[C@@H](CC)C1	227006889	MYGKNINKYWNXJH-IJEWVQPXSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H]1c2cc(C(C)C)ccc2[C@H](C)[C@H]1C	227294460	YUELGPPLGSVAET-XNJGSVPQSA-N	245.410	4.604	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCC23CCCCC3)C1	230174985	GOZUHPJTJYPCLF-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](C)/C(C)=C/c1ccc(C(C)C)cc1	231766686	SHMCNQNWWRFBIN-ZQHYZAEZSA-N	245.410	4.601	0	10	BJAE	
CCC(CC)CC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1N	250784127	UVEPYFMBPBDNTA-NWANDNLSSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H]2C[C@H]2C)c(C(C)C)c1	252215369	ZBVGOEJHBDUNCZ-JLZZUVOBSA-N	246.394	4.623	0	10	BJAE	
C[C@@H](C(=O)c1ccccc1)[C@H]1CC[C@@H](C)[C@H](C)C1	252907000	VTKFIIJKSBKHQF-KQTLUZQSSA-N	244.378	4.578	0	10	BJAE	
CCCC[C@H](C)C(=O)[C@H]1CCCC[C@H]1CC	300952956	PGSJVJYSZNORCI-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1CCCC(C)(C)C1	302554717	WJOQXYVHZQUQAX-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCCC(C)(C)C)C1	304149284	OHUVOMDEFUXXGW-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCc1ccccc1C(=O)C[C@@H](C)CC(C)C	304188582	TUVOLDUZEAPTNS-ZDUSSCGKSA-N	232.367	4.504	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC2(C)C)cc1C	306007249	LTRJFDHWRYGKJW-OAHLLOKOSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1ccc2ccccc2c1	306023086	OGUQTYDVUUPLRQ-DYVFJYSZSA-N	241.378	4.666	0	10	BJAE	
CCOc1c(Cl)ccc2sc(Cl)cc12	306863349	JXURSCFIQCBTEF-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
Cc1csc2c(C(F)F)ccc(Cl)c12	306900300	LKIHPPPAAALIDQ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC1(C)CC[C@@H](N)[C@@H](CCC2CCCCC2)C1	310068123	PIWNEVIYDVXDMD-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(O)CCCCC12CCCC2	310254034	KVVDBJCGMZYLKW-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)c1cccc2ccccc12	310778775	WUJFYCPERVVYDV-CXAGYDPISA-N	241.378	4.522	0	10	BJAE	
CC[C@@H](NC[C@@H](C)C(C)(C)C)c1cccc(C)c1	310965825	UWHJHZKYMKZQQH-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
CC[C@H]1CCC[C@](CC=C(C)C)(CNC2CC2)C1	317724784	KELKHCBQGMYXMN-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@]1(C(CC)CC)CC[C@@H](CC)C1	319246765	XRXHFVUMZBKBIA-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC)CC/C=C/c1ccccc1	324274680	LULJLZXAKSMMPR-MSGBMKDASA-N	245.410	4.648	0	10	BJAE	
Cc1ccc(O[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1C	379880765	UVLMSEXOCDSWSZ-IVMMDQJWSA-N	232.367	4.507	0	10	BJAE	
CCCCC[C@H](CCCCCC(C)C)NC	383308062	VCLCCFNIWOXZMK-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCC1CCC(CN)([C@H](C)CC(C)C)CC1	383568546	JPLHIYBZTWPJOD-QQFBHYJXSA-N	239.447	4.604	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)CC(C)(C)C)c1	384786134	QOUYWNKMABCFMC-CYBMUJFWSA-N	219.372	4.540	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)c2cccc(C)c2C)CC1	392833145	GCHXEQJEPUHQKF-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
CCN[C@@H](C(CC)CC)[C@H]1CC[C@H](CC)CC1	392971355	VGRPWJKNWQCPJZ-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1)c1cccc(C)c1	393975990	VXMFNBTZADAWDP-QGZVFWFLSA-N	239.362	4.867	0	10	BJAE	
CCOc1ccc(C(F)F)c2scc(C)c12	396241980	MPCKJPFDZHAPQG-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1ccc(C(F)F)c2sc(F)cc12	396253538	SJLNAHWJDVSAIQ-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1ccc(C(F)(F)F)c2cc(F)sc12	396291926	DKCQWNKXNWYVDC-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
COc1cc2sc(C(F)F)cc2cc1Cl	396296209	UVGVCTRSLXNRKT-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CSc1ccc2cc(C)sc2c1C(F)F	396404871	KKOPGPCEYPOSBL-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@@H](CC1(CNC2CC2)CCCCC1)C1CCC1	398777455	HFILPHRNAUXYFV-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
Cc1c(F)cccc1C(=O)C[C@H]1CCC[C@H](C)C1	398989217	GUXVLMQHQFAZLQ-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CCCN[C@H](CCCC1CC1)CC1CCCC1	405761018	VUGBOVXKSWBZEZ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
O=C(CCC1CCCC1)C[C@@H]1CC2CCC1CC2	691654864	HRLWPWCCOYBHSC-GPANFISMSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCCC[C@@H]2C2CC2)c1	696108079	YCYAPFOCTKLZSJ-UKRRQHHQSA-N	247.357	4.515	0	10	BJAE	
CCCCCCC(=O)CCC(C)(C)CC	696642989	CPYZQRHXTOZVDL-UHFFFAOYSA-N	212.377	4.742	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1CCC(C)(C)CC1	696676369	CGCIWLWDZGFJSE-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CCCC(C)C	703962346	YHOFTFSQMIGMHG-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)[C@@H]1CCCC[C@@H]1C	704807623	CCLUWHMXBLJUJF-BCQLDYGFSA-N	237.431	4.537	0	10	BJAE	
Cc1c(Cl)cccc1O[C@H]1CCCC[C@@H]1C	704931517	FEIYXQQNMOIGAI-GWCFXTLKSA-N	238.758	4.606	0	10	BJAE	
CCC[C@](N)(CCC(C)(C)CC)C(C)(C)C	704940482	KBKXNJFXKBNQMP-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CCCC(C)(C)C	704960170	XMSQJEJXDQENII-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](N[C@@H](C)C1(C)CC1)c1ccccc1	706890032	ZJNHIZMPQLKJAV-GOEBONIOSA-N	245.410	4.696	0	10	BJAE	
C[C@H](C[C@@H]1CCCCC[C@H]1CN)CC(C)(C)C	709076991	IEIGTVQKBXKNTM-ILXRZTDVSA-N	239.447	4.604	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)C[C@@H](C)CC(C)(C)C	709129897	NPIWTYHOEMMDNJ-MCIONIFRSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@](N)(CC(C)(C)C(C)C)C1CCCC1	713175585	NVJMWZKEQNWTGD-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC(C)(C)CC)CC1	713234335	WMBWCPMCAHXBRM-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C[C@@H](CC(C)(C)CC)NC)C(C)(C)C	713235721	RRYLZZWZIWKZGZ-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(O)CCCCCC1(C)C	713239692	CRBLSFVTHSEEBV-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCNC[C@]1(CC(C)(C)CC)CCC[C@@H](C)C1	713337493	ZOVQPYSTSSYUGT-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C\CCN[C@H](C)c1ccc(C(C)C)cc1	713496514	QJQAIMCTPUHGAB-IDTUSYRASA-N	243.394	4.593	0	10	BJAE	
C/C=C/C[C@H](C)c1cccc(Br)c1	714532793	BMTRADOWNADJNR-FSIBCCDJSA-N	239.156	4.519	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H](C)CC(C)(C)C	718498812	ZBWJVOBSQWIWFC-KGLIPLIRSA-N	225.420	4.523	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)c1ccc(C)cc1	718513011	LHGAMXPGAGWBQR-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CCCCC[C@H](CCC(C)=C(C)C)NCC	718570901	DTNVDNKRNVDBNY-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CC(C)=C(C)CCC(C)(C)CNC(C)(C)C	718778496	IYEUQTPMYNYUIW-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC2(CC2)C1)C1CCCCC1	723559146	FFWIRMMAEFGGEH-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CCC[C@@H](CSc2cccs2)C1	1165536592	AASUXMNTGBRKDK-WDEREUQCSA-N	226.410	4.667	0	10	BJAE	
Cc1cc(C)c(-c2cccc(O)c2Cl)c(C)c1	1242799387	IMJIOBULLYARGB-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)CCCC(C)C	1462263454	TZOIRPCVUJQHCU-CVEARBPZSA-N	239.447	4.926	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC12CCCCC2)C1CCC1	1875413582	CBKIIZBPUWABRH-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
C/C=C/CCCN(Cc1ccccc1)[C@@H](C)CC	1880242867	LTKNFZHDTPFXTG-NBUZRDOWSA-N	245.410	4.643	0	10	BJAE	
CCC(C)=CCC[C@H](CC)CC(F)F	1887864810	UREVNSTYWMKSRB-NSHDSACASA-N	204.304	4.804	0	10	BJAE	
CCC(CC)CC[C@@H](N)CCC1CCCC1	1900701654	MRWBUOJMBJUJOZ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC[C@H](O)CC1CCCC1	1905365089	FJTJTEKRYPPMOI-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CCC(C)(C)C(=O)C1	1905430346	AJZZBFIVEXDUAV-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)COc1ccc(C)cc1Cl	1905447281	WKHFWYHNVCILEX-GFCCVEGCSA-N	240.774	4.854	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1cccc(Cl)c1	1905452662	DKQLXZBQWHACQA-FZMZJTMJSA-N	239.790	4.556	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H](CC)CCC	1905454191	PNPOPXMCUDDGIO-DZGCQCFKSA-N	227.436	4.747	0	10	BJAE	
CCCNCC(=C[C@H]1CCC[C@@H](CC)C1)CC	1912051690	LXTWBWDGJTWLJR-ZBFHGGJFSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)[C@@H]1CCCCCCCCC1=O	1913389719	MOWOYELYCGHCRL-AWEZNQCLSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H]1CCCCCCCC[C@H]1NCC	1913423010	HLEFPBATIXWFCN-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@@]1(N)CCC2(CCCCC2)C1	1915902878	RHLSPZOLSORTJF-MRXNPFEDSA-N	237.431	4.789	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)C1CCCCCC1	1919948799	PPXMVTQHRXWMOA-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCC1CCCCC1	1920201568	HQERSVCKHCXMCU-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(N)C[C@H]3CCC[C@@H](C3)C2)C1	1923475804	HWPNRMAXNPQPPI-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CCC[C@H]1C)C1CCCCC1	1924096362	CDPYKESHCXKJTL-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H](O)c1c(C)sc(C)c1C	1926394093	XLPLYTFVUNDPTR-ZDUSSCGKSA-N	240.412	4.533	0	10	BJAE	
CC(C)=CCCc1cc(Cl)sc1C	1933566001	QIJYNLSWXHNNGI-UHFFFAOYSA-N	214.761	4.609	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](CC)CC1CC1	1939406749	MVDPAPCJNPPEKA-LSDHHAIUSA-N	225.420	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)CC1(C)CCCCC1	1940406583	MRIMXFZIODGVHM-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
C[C@@H](SCC1CCCCC1)c1ccc(N)cc1	1941749794	MPFSAMAQISVKDE-GFCCVEGCSA-N	249.423	4.643	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)C[C@@H](C)CC(C)(C)C1	1942665183	WDBYUOBVZOVFBO-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](N)[C@@]12CCCC[C@H]1CCC2	1944156803	UCDGBLNWHQAFCO-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@H](F)[C@H](CN)CC(C)C	1945832607	VZFBUJLWFZTUAN-GJZGRUSLSA-N	245.426	4.552	0	10	BJAE	
CCC1CC(Nc2ccc(C(C)(C)C)cc2)C1	1946980611	WRNNVOJKPIMXJT-UHFFFAOYSA-N	231.383	4.585	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC[C@H]1C(C)C	1947528160	YAZBFKLZLGPOPO-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H]1C=CCCC1	1947562638	QWPVPMLPNNPDCW-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)CCC(F)(F)CC	1947882489	CCUMCZMJPHIYSG-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1(C(C)C)CCC1	1948933372	WGZBKDMROCXAMJ-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)C1CCC(N)(C(C)(C)CC)CC1	1949085267	AHPVLYIVEMLWNA-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
Cc1cc([C@@H](N)C[C@@H]2C=CCCCC2)c(C)s1	1949140555	VQYCAVOBRIZUOJ-HIFRSBDPSA-N	249.423	4.501	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)[C@@H]1CC[C@H](C)C1	1949435105	SFJBLBCCIYFXFH-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CC1(CC[C@@H](N)CC2CCCCC2)CCCC1	1949915075	HFYFDFQSRVIPQY-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)CC2CCCCC2)C1	1949915408	HRSHKCHVIFNBCP-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC12CCCCC2	1950600074	UHUQKDXZNBXXFY-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C2CCCCCC2)CC1	1950931475	XCMSHRCNTGKTAF-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)c1csc(-c2cc(C)cs2)n1	1958190953	MGGYZAWCQCIVDB-SECBINFHSA-N	237.393	4.694	0	10	BJAE	
CC(C)C1CCC(c2csc(Cl)n2)CC1	1960950582	ZVURVSOKQXTPOS-UHFFFAOYSA-N	243.803	4.726	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCC3(CCCC3)C2)C1	1967855859	OAQYRHIYRYJHDH-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCCC3(CC3)C2)cc1C	1968254242	DEWJXGBRYZUHLR-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
CCc1ccccc1NC1C[C@@H]2CCCC[C@H]2C1	1968360163	MTRJSSYLXUEGQD-GJZGRUSLSA-N	243.394	4.630	0	10	BJAE	
C[C@H]1C[C@@H]1c1csc(-c2cccc(Cl)c2)n1	1968396976	SOYIHHPBTNGWQY-KWQFWETISA-N	249.766	4.587	0	10	BJAE	
CC[C@@H](N[C@@H]1CC[C@H]2CC[C@H]1C2)C1CCCCC1	1969166159	AWBUBRIKUSKHTL-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(NC2CC(CC)(CC)C2)C1	1972937194	XDDKCPLHATWAKQ-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCC23CCC(CC2)C3)C1	1973948709	LHMZJTCMVLODDE-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cc(C(F)F)cs1	1977100078	UUGMVMUZUZTHDU-QMMMGPOBSA-N	246.322	4.695	0	10	BJAE	
CCCC[C@@H](O)CC1CCC(CCC)CC1	1989772619	QYIVKBXVNDZWGP-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)c1c(C)csc1C	1990097491	HOXQDJSEPYWRMO-CQSZACIVSA-N	240.412	4.543	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CCCC(C)C	1990818462	NZSYBCUINIIIIR-OAHLLOKOSA-N	227.436	4.713	0	10	BJAE	
CC[C@H](C)CCN(C)CCCCCC(C)C	1990844841	DAYIJHGANPSONG-HNNXBMFYSA-N	227.436	4.571	0	10	BJAE	
CC=C(CC)[C@@H](CCCC(C)C)NCCC	1992048336	CADFHWXUQZZZMB-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](C)CCCNC1CCCCC1	1995260868	ZGAZNQALYIMLDJ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@@H](CC)CC1)C(C)(C)C	1997104126	IYQXQFQBLOSKLT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN[C@]1(C)CCCCC1(C)C	1997427381	WTPCBNHGJUHILC-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)C1CC(C)(C)C1	1998649673	MQWASFHSWYNSJH-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C2CCCCCC2)C1	2000053056	ZZOZNYKNWVPOEF-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1CC(C)C1)C(CC)(CC)CC	2000375386	BNJCHEWYSCOCPG-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C(C)(C)CC)C1(C)CCCCCC1	2000375392	BOFIIINVAMRQQD-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCCN(CCCCCC1CC1)[C@H](C)CC	2000905489	CFGXNSCRXPZBKJ-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCC(CC)[C@@]1(N)CCCCC12CCCCC2	2001570929	BPARVWAWEFKYKI-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@@H](C)CC(C)C)CC1	2002926173	ONEZEFWNNUEEFP-QRNKSROTSA-N	239.447	4.616	0	10	BJAE	
CCC1CCC([C@@](C)(N)C(C)(CC)CC)CC1	2002929067	ISQRXFXRMYTONU-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@](C)(O)[C@@H]1CCCC(C)(C)C1	2003005375	JRBVPKHTNXKQBU-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)C[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2003015593	OGVWXLDBKJEDOZ-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H]1CC[C@H](CN[C@@H](C)CC)CC1	2003108876	PVPBHGQTDPYKAD-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC[C@H]1CCCC2(CC2)C1)NC	2003216579	DEYPNVBIJSYVAE-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@]1(C)C=CCCC1	2003327422	VKGPKENSLMUDBU-HOCLYGCPSA-N	236.399	4.908	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@@]1(C)C=CCC1	2003328867	GWUUXWBRZJEPFU-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C(C(C)C)C(C)C	2004234416	QGJHBCFAZRYDPB-OAHLLOKOSA-N	239.447	4.639	0	10	BJAE	
CCCC(CCC)CN[C@H](C)C1CCCCC1	2004710655	BSFMVLVFYUNFDN-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1C[C@@H](O)C[C@H](CCC2CCCCC2)C1	2006634461	GQIYUTQZOSGKHS-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@@H](C)CCC)[C@@H]1CC	2009247473	BAAPGXQDKLOBLX-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CCC2=CCCCC2)CC1	2009405542	ZZCIHHRLELHEAQ-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
C/C=C/CCCN1CCCC[C@@H]1c1cccs1	2009574266	CTYKUAUUUCUIFZ-BAABZTOOSA-N	249.423	4.631	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1CCC[C@@H](CC)CC1	2009626134	DBLKDDVGRQLRRY-WQHDIMKJSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CC(=O)CC(C)(C)C2)C1	2012080619	FWZQMOGNZMJYBA-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H](C[C@H]1CC[C@H](C)CC1)NC	2017725899	VUTLTCWBWADNJN-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CCCC(C)(C)C1=O	2020394997	YTGHARBKORNTNI-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H]1Nc1ccccc1C1CC1	2021026542	WXXWJLKSTHTCER-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)C[C@H](C)C(C)(C)C	2022684251	TXWLKBZGMASCSB-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](CC2(CN)CCCCC2)C1	2024091770	LLLHJCPAMFTIGG-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CCCCC[C@H]1CC(C)(C)CC[C@H]1NCCC	2024123858	NFBWWCUCAQRTBE-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@H]2CC(C)(C)CC[C@@H]2O)CCC1	2024144861	AWMVHHCBSGGRIR-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2C(=O)CCC[C@@H]2C)CC1	2024614812	ZBDQXWLHXJJATH-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CC(C)(C)C1(C)C	2025066251	BZUQQAMVSASQTC-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CCCC(CCC)C(=O)c1cc2c(o1)CCCC2	2027380764	RRYHRJFWQFQTOK-UHFFFAOYSA-N	248.366	4.558	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)c1cccc(C)c1	2027732633	PUSIVLNGYMGIAW-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCc1ccccc1[C@H](N)CCC(C)=C(C)C	2027903858	QYZCECCFDPGUEM-QGZVFWFLSA-N	245.410	4.775	0	10	BJAE	
CC[C@H](C(C)C)[C@H](NC)c1ccc(C(C)C)cc1	2028252956	SAMMXLFBWURHIZ-IAGOWNOFSA-N	247.426	4.753	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](CC(C)C)C(C)C)c(C)c1	2028257408	JFTLZEABGXBXMV-INIZCTEOSA-N	246.394	4.804	0	10	BJAE	
c1cc(CCCCCC2CC2)c2c(c1)NCCC2	2028632474	ZRCPVGIERRRNOY-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CCNC[C@@]1(CC2CCC=CCC2)CC[C@@H](C)C1	2028874255	NUOAKJIGOGEIMQ-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC1(C)C[C@H]1CCCNC1CC2(CCCCC2)C1	2028876501	BEQVHGAINRBUSW-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(CCC2CCCC2)CC12CCC2	2032135785	OZZPXNORLOBCRU-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](CNc1cccc(C2(C)CC2)c1)C1CCC1	2032247939	ZRFPKLYDBIVWPU-ZDUSSCGKSA-N	243.394	4.586	0	10	BJAE	
Cc1cccc([C@@H](N)C(C)(C)C2CCCC2)c1C	2032298740	ATFOPUHJURQKDP-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CC(C)(C(=O)C1CC2(CCC2)C1)C1CCCCC1	2032301554	OYYYBGBWOLJXMM-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCc1ccccc1NC1CC(C2CCCC2)C1	2033781344	KPYMXDDUSDYDJO-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCC1)C1CCCCCCC1	2035587353	BXXQCLYGBVWSPL-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C1CCCCC(NC[C@]23CCC[C@@H]2C3)CCCC1	2035893048	XUHRSYSXOWIRMM-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)C1CC2(CC2)C1	2036199736	IELQTDRRXNAEGI-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CC1CCC=CCC1	2037210244	VBKRXLWJUBISKU-GVDBMIGSSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccc([C@@H]2CCC(C)(C)C(=O)C2)cc1	2037859577	ZGKSNOWVDFAYCH-OAHLLOKOSA-N	244.378	4.673	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@H]1CC12CCCCC2	2039011369	HFKJWNFXMZSNQV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CC[C@H](N)[C@@H]1CC12CCCCC2)C1CC1	2039090260	ASDMGZYZJOHJIL-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(NC[C@@H]2CC23CCCC3)ccc1C	2039092285	ORMZRWMHRMFBGT-HNNXBMFYSA-N	243.394	4.550	0	10	BJAE	
CCCNCC1(CCC)CC2(CC3(CCC3)C2)C1	2039464396	SILCBZRKLQHAQX-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@H](N[C@H](C)c1ccccc1)C1(C)CCCCC1	2039862495	OKCFTFYYFNQILQ-CABCVRRESA-N	245.410	4.696	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@@H]1[C@]1(N)CCCC2(CCCCC2)C1	2040764418	CAOQAVDGFUMOGJ-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](Nc2ncccc2C)CC1	2041498217	HJOBQYPYLPTKKE-HUUCEWRRSA-N	246.398	4.551	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNCC2CCC=CCC2)CC1	2041533340	PMGMFDUJHPXRQW-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C1(C)CC=CC1	2042018891	JUJHTDWWSYMTSS-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H](C)C1)[C@@H]1CC=CCC1	2042024865	QACBMTWNBZMVJX-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1CCC([C@@H](C)NC[C@@]2(C)CC=CCC2)CC1	2042068232	UDIGLQJVRXDFNL-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC([C@@](C)(N)[C@@H]2CCC3(CCCC3)C2)C1	2043551863	ZZNMJVKKOJYHMH-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@H]1CC12CCCCC2)c1cccc(N)c1	2047020369	PDKJDYAPFIWEHL-DZGCQCFKSA-N	243.394	4.733	0	10	BJAE	
CC1(C)CCC(C(=O)C2[C@H]3CCCCC[C@H]23)CC1	2049193203	AOELQXLNJDYXFL-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CC2CCC=CCC2)C1	2049532813	MVLCRGWRHRLTMT-PVAVHDDUSA-N	249.442	4.667	0	10	BJAE	
CC1(CC(=O)CC2[C@H]3CCCCC[C@H]23)CCCC1	2049789087	SAMDWZCHRSYCHV-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@H](C)C1)[C@@]1(C)C=CCC1	2050009683	ZDQNVUVLTNAXHV-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC(C)(C)C(C)C)c1ccccc1C	2050456523	RIRIUAGCCLRTPA-MRXNPFEDSA-N	247.426	4.718	0	10	BJAE	
CC(C)c1ccncc1N[C@@H]1CCCCC1(C)C	2053853717	LZFNUFXGQIZXEC-OAHLLOKOSA-N	246.398	4.586	0	10	BJAE	
CN[C@@H](CC1CC=CC1)C1(C)CCC(C)(C)CC1	2056557022	OUDSIASRQFMTIP-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)CC[C@@H]2CC2(C)C)CCC2(CC2)CC1	2056558285	DMUZTLKVSPGLKV-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2CC(C3CCC3)C2)CC1	2056640500	PVEJXBSFNAHMEK-RKHAHWSXSA-N	249.442	4.501	0	10	BJAE	
O[C@]1(C=C2CCCCC2)CC[C@H]2CCCC[C@H]2C1	2056858866	VKPLANDFDNSNBY-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)C1CC(C(C)C)C1	2056873760	QKFZKHVHPYRLHJ-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)CC[C@@H]1C[C@H]1C=CCC1	2059003011	KETFZLSZOZTGTH-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@]1(CNC(C)(C)C)CC=CCC1	2059256175	NAPHLWFNXMTZDZ-RTRPANQVSA-N	249.442	4.847	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)C1(C)CCCCCC1	2060920994	IFUOYCVVUXSDPB-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C1=CCC(C)(C)CC1	2061089365	SLZARQKCSWMBES-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)[C@@H]1CCCC[C@@H]1C	2061090532	BUMSIKZCONSITP-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@]2(N)CC[C@@H](C)C[C@H]2C)CC1	2061121160	CXOGWOUWSZAVBW-PNBKFKSVSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)C1(CC)CCC1	2061147861	QOQIFNMOEZGJGF-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@H](NCC23CCCC2CCC3)CC1	2063902309	BCQOJTIGIXOBFQ-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](CNC1CC1)(C[C@@H]1CC=CCC1)C(C)C	2064490451	ZVTUOBDMXPUUMV-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC23CCC(CC2)CC3)CC1	2065339691	OHQFSFWRQBLREH-VXLLPVPCSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)c1ccc(CN)cc1	2067354634	NMHQIFMQIKLDNA-CABCVRRESA-N	247.426	4.855	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068710741	MUZZPLBDQREKAN-QKPAOTATSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1(CC2CC2)CCC1	2069503023	DCXCASGORWBNMD-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCN[C@H]1CCCC12CCCCC2	2071464824	HDKNMYKECUYFLY-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](CC(N)(C2CCC2)C2CCC2)CC1	2072794869	YISHIWOZWVLINX-HDJSIYSDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2CC[C@H]3C[C@H]32)CC1	2072879825	XBPRAYQTKNKMKY-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C[C@]12CCCC[C@@H]1C2	2074027896	DHRFULREFXZLMJ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2[C@H]3CCCCC[C@H]32)C1=O	2076450539	NSNYUHZBVWRRBE-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2C[C@H]2C2CCC2)C1	2079438661	JCVSSJZUXMSSND-YTWPKEEVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](NC)c1cccc(C(C)C)c1	2079444816	VRTMWUGTOOZZPK-OIISXLGYSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1N[C@@H]1CCCCC12CCCC2	2079530343	NTPFDCLRTFTFLK-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@@H]1C1CCCC1)CC1CCCC1	2079660279	LDASAGHZQRDBKQ-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
NC1CCC(C[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079705813	JPHMBMQJCAIOSO-AGZZZRPFSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@H]1C[C@@H]1C1CCCCC1)C1CCCCC1	2079842078	MJXCKVFBKZRNSD-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](NCC=C2CCC2)CC1	2081673896	ARQZMUVPYFLATP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC1CC(CC(=O)[C@H]2CCC3(CCCC3)C2)C1	2084993765	IQWBNKCIVRESRZ-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCNCCCCCCCCCCC1CC1	2212446331	MUSUODKTUOQCBN-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
CCC(CC)NCCCCCCCC1CC1	2212462330	MUVANMZDZPCDGM-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC1(C)NCC[C@H]1CCCCCCCC1CC1	2213576844	VIQQQIWERYRNQJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCOc1cccc2sccc12	2215345874	MQEOWFUMLZVTCX-NEPJUHHUSA-N	246.375	4.716	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CC1(C)CC(C)(C)C1	2215396398	SAWYLJIFAOLDSY-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CCNC[C@]1(CC(CC)CC)CC=C(C)CC1	2215832589	CNGUSWYKGVULDI-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1C[C@@H]1CC(=O)CCCCCCCC1CC1	2216860632	BROJFNSVGVCNNM-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@]1(CN[C@H](C)CC)CCCC12CC2	2217156850	OHCYXSGYYRASQW-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2218337170	FKGGCCOEWLEDSP-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218359902	WFRUAWOEOQDABR-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@@](N)(CCCCCCC2CC2)CCC1	2218723135	DVPXWLXWQROLAP-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1[C@H]2CCCC[C@H]21	2218730416	FHONAKCDGBOBHX-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@H]1CC2CCC1CC2)C1CCCCC1	2220290987	OBKUPVFPIPEYKY-LCSXWQTCSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H]1C)[C@]1(C)C=CCCC1	2220539563	KMSUDSQYLGARFJ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)CCC2(CCCCC2)C1	2220853563	RUNBIQZQCWLQER-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)c1ccccc1C(C)C	2220962178	PFEPGTDGPYMEFX-ZIAGYGMSSA-N	244.378	4.819	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)C1(C)CC2(CCC2)C1	2221005690	YRBAWMZAFORDMV-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C[C@@H](N)CC2(C)CC3(CCC3)C2)C1	2221015411	IASNUKAXBXPLSU-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@H]2CC(C)(C)C2(C)C)CC1	2221647105	ZMCSAEAEACCEQV-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
C[C@H](NCCCCCCCC1CC1)c1ccoc1	2223153729	DFGVVKYWEUWTNI-AWEZNQCLSA-N	249.398	4.681	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(CNC2CCC2)C=CCC1	2223604101	IFQBKLCUESTVCI-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](c1ccc2occc2c1)C(C)(C)CC	2224131874	TYNWWYFIUCVXQK-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
c1ccc2cc(CC3CC(=C4CCC4)C3)ncc2c1	2227704846	UFIQVPJLDIZLOV-UHFFFAOYSA-N	249.357	4.668	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1csc(C)c1C	2242645614	XGTFUJOHAMTEEV-LBPRGKRZSA-N	238.396	4.620	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](Nc2ccsc2)C1	2245456090	XZBWGXCSIKCEIQ-GFCCVEGCSA-N	237.412	4.765	0	10	BJAE	
CCN[C@H](CC)CCC[C@@H]1CCCCC12CC2	2246627021	ODHIQPVUKHFRHN-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCC[C@H](N)C(C)(C)C)C1	2246658883	DMVMHIQGFVUHQA-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CCCC[C@H]1C[C@@H]1C	2247172512	AQOWTKSBQXYWPU-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@](C)(N)C1(C)CCCC1	2247176896	SJWNPJWGNDOVEY-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@H]1CCC12CCC2	2247312211	FMNZEGJFNLSSAL-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC1=CCCCC1	2247453168	AJRWBTSEFCJWHQ-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)(CCCCC[C@@H]1C[C@@H]1C)CNC	2248848613	AEFMAKWVHNNJGT-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H](C)CC(C)(C)C)NC	2250353193	SCWZXAQRGCEQPT-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](CC)c1ccccc1	2250381602	QBACRUSJVGBAAD-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CC(C)=C(C)CNCC[C@H](C)CCCC(C)C	2250477155	UVROMGCAMVJFKQ-OAHLLOKOSA-N	239.447	4.785	0	10	BJAE	
CN[C@@H](C)C1(CC[C@@H](C)CCCC(C)C)CC1	2250482544	VIBABVHEEDFKCD-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CC[C@H](C)CN1	2250531355	XFLVTIAJLUBZPR-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC1CC(C)(CC(=O)C[C@@H](C)c2ccccc2)C1	2253680053	MMDSFVPGGQWTSC-XOYHFGRZSA-N	244.378	4.576	0	10	BJAE	
CCCCCC1CC(NC2CC3(CC(C)C3)C2)C1	2254160414	ARTUMWWVFPXGOA-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@@H](C)[C@H]1CC1=CCCCC1	2255091342	JENWUBGIIPXQBE-MUIFIZLQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	2257283419	MVNPYFDQJOZJBI-MDLJMBGESA-N	248.410	4.598	0	10	BJAE	
Cc1cccnc1NCC[C@@H](C)CCCC(C)C	2259642761	FMTKVSFAGXGGHA-AWEZNQCLSA-N	248.414	4.654	0	10	BJAE	
CCC1CCC([C@H](N)[C@]23CCCC[C@H]2CC3)CC1	2260528989	XSKQGYJOWBNGQP-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@]23CCCC[C@@H]2CC3)CC1	2260659836	ZNBKOUHOPCVHAQ-LJIGWXMPSA-N	248.410	4.742	0	10	BJAE	
CCC1([C@H](O)c2cccc(C3CCCC3)c2)CC1	2260732215	WKYDASULKBLIBN-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
c1sc([C@H]2CCC[C@H]3C[C@H]32)nc1C1CCCC1	2297902768	WCKWAHLKWOFWQY-RWMBFGLXSA-N	247.407	4.704	0	10	BJAE	
CC(=CCCC[C@H](N)C1CC1)CCCC(C)C	2300888805	QQUSZTVIFNXSHW-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC(=CCC[C@@](C)(O)C(C)C)CCCC(C)C	2300893380	QPKJRMIRAPIOOL-MRXNPFEDSA-N	240.431	4.946	0	10	BJAE	
CCC(C)=CCc1cccc(C(C)(C)C)c1O	2300899450	OEISOIFBXUNPEB-UHFFFAOYSA-N	232.367	4.589	0	10	BJAE	
CC1(C)CC[C@@H](N)[C@H](CC2CCCCCC2)C1	2301140992	UMHWQEXEFGCJCF-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C[C@H](N)[C@H](C)[C@H](C)C(C)C)C(C)(C)C	2301824085	AAKSFVWGTLBCIJ-TUVASFSCSA-N	241.463	4.704	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CC(=O)CCC1=CCCCC1	2301925836	IWISHZCXCFHQQI-GDBMZVCRSA-N	234.383	4.518	0	10	BJAE	
CCSc1cccc(N[C@H]2CC(C)(C)[C@H]2C)c1	2302088228	WFOLIVITQNGYGP-FZMZJTMJSA-N	249.423	4.645	0	10	BJAE	
CCc1cscc1NCC1CC2(CC(C)C2)C1	2302886044	SDZWTNXVQNTRRD-UHFFFAOYSA-N	249.423	4.549	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1CCC(C)=C(C)C1	2303597225	ODXWOKXFOPIKNQ-HNNXBMFYSA-N	236.399	4.908	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1CCC(C)=C(C)C1	2303597226	ODXWOKXFOPIKNQ-OAHLLOKOSA-N	236.399	4.908	0	10	BJAE	
C[C@H](C(=O)CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304431839	OWDQTKKZUJTFIB-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CCCC(C)(F)F)NC	2307908333	GSDIZJQLDNEDRC-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)C[C@@]23CCC[C@@H]2C3)C1	2310891852	WAJJHIMOYNBVKR-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@H]1C[C@@H]2CC[C@H]1C2	2312952005	ZGOSDTQJJXODHR-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@@H](CC(C)(C)CC)NC)ccc1C	2314690093	PFFDWJUSKYWHOC-MRXNPFEDSA-N	247.426	4.644	0	10	BJAE	
CCC(C)=CC[C@H](C[C@@H](C)c1ccccc1)NC	2316510403	UTPJFLDJXXQYGG-NVXWUHKLSA-N	245.410	4.515	0	10	BJAE	
C[C@]1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCCCCN1	2316873714	OIBCYKBHOBHODK-MWDXBVQZSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1CCC[C@@H]2C[C@H]12	2316880490	JYUYZXFNPBGECZ-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1=CCCCC1)CC[C@@]12CCC[C@@H]1C2	2317936087	JSXQQLCONRFBKX-NVXWUHKLSA-N	246.394	4.807	0	10	BJAE	
C[C@]1(CC[C@@H]2C[C@H]2C2CCCCC2)CCCCN1	2318844166	UYTPVZLNRSLCOF-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@@H](CCCCC1CC1)NCCC	2318886359	VSPGIAOJOOTWJE-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1CC[C@@H]1C1CC1	2319579147	QDOFAHUQGYELQH-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC[C@@H]2C[C@H]12)C1CCCC1	2319753739	DSQPEOQDDKQWHQ-QZWWFDLISA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@@H]1CC[C@H]1C(C)(C)C)c1ccc(N)cc1	2320242218	AQBAOHQREPTSHD-IVMMDQJWSA-N	245.410	4.835	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@H](N)[C@@]1(C)CC=CCC1	2320244183	QNZNANAHAPWGEP-AIANPOQGSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@@H](CC2(N)CC(C(C)(C)C)C2)CC1	2320348602	RULARALEOUZYED-UQPPLGOBSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](C[C@H]1CCC(C)=C(C)C1)NC	2320395344	DLZFPMQKKNSMBV-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCC(C)(C)C(=O)C2)CC1	2320408312	JGBDFJHPIPABSW-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CCC1(C[C@@H](O)c2cccc(C(C)C)c2)CCC1	2320581925	PITGPPNIBXXUOU-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CC[C@H](C)CCN(C)Cc1cccc(C(C)C)c1	2320636080	JTBCAASGWMBISJ-HNNXBMFYSA-N	247.426	4.678	0	10	BJAE	
CCc1cccc(C)c1N[C@H](CC1CC1)C1CC1	2320696708	NESWCWRHPMMGEX-MRXNPFEDSA-N	243.394	4.548	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cc(F)cc(CC)c1	2321092601	BUPWZGFLTHGJKU-CZUORRHYSA-N	249.373	4.769	0	10	BJAE	
F[C@H]1C[C@@H](CNc2cccc(C3CCCC3)c2)C1	2327389848	DHPANLKOCUKSLE-JNSHFYNHSA-N	247.357	4.504	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC[C@H]2C)c1F	2327766418	DQPFKAGGIURPBW-TZMCWYRMSA-N	249.373	4.940	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)c1ccc(C)c(C)c1	2328211633	AEPMHVDZCBNXGT-RDJZCZTQSA-N	248.410	4.727	0	10	BJAE	
CC(C)CCCCCCN[C@H]1CCCC[C@H]1C	20002183	UFHOQQTWEKTGEE-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(C)cc1F	20371198	BTXOZFXRFQFRFL-GFCCVEGCSA-N	223.335	4.515	0	10	BJAE	
CCC1CCC(Nc2ccc(C)c(C)c2)CC1	21503712	LROLQEZTQQOMLE-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccccc1C(F)(F)F	21801376	KJAIMHHLGPPFKM-ZJUUUORDSA-N	245.288	4.552	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](NC)C2CCCC2)cc1	35469264	VACIBHJJKFIKEL-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H](C)Nc1ccccc1C(C)C	37198073	PBOIDFCSFWBZCV-CYBMUJFWSA-N	219.372	4.801	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(Cl)c(Cl)c1	37200398	XWXAJEYHQRFJCY-VIFPVBQESA-N	246.181	4.984	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)c1ccc(C)c(C)c1	68863498	BMCBAHSJSDBUGJ-DJIMGWMZSA-N	246.394	4.553	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](CC)CCCC	68986607	KFVZCAHBOMVRPQ-HUUCEWRRSA-N	227.436	4.904	0	10	BJAE	
CC[C@H]1CCC[C@@H](CCC(=O)C(C)(C)C)C1	70739993	YXIGGEMFSUSFJQ-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC(C)c1ccnc2ccc(C(C)(C)C)cc12	77255257	WAVJWVJEZARFIO-UHFFFAOYSA-N	227.351	4.656	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(O)CCC[C@H](C)CC2)C1	86892691	AZIVHRSJNBSUQT-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)C1CCCCCC1	87947856	VQNJGPFAHSOLSW-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](N[C@@H]1CC=CCC1)c1ccccc1	88747151	MPKSDGYCJXYZIH-IAGOWNOFSA-N	243.394	4.616	0	10	BJAE	
CCCC[C@H](CC)Cn1ccc(C(=O)C(C)C)c1	91824419	OCLKOIJUPQRPRA-AWEZNQCLSA-N	249.398	4.543	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CO)c1cccc(C)c1	93127832	FXOYOJGNZBBURQ-NVXWUHKLSA-N	248.410	4.677	0	10	BJAE	
CC[C@H](C)[C@@H](O)c1ccc(Cl)c2ccccc12	93656851	DPIBPVNIRRRQKZ-ZUZCIYMTSA-N	248.753	4.573	0	10	BJAE	
CC(C)[C@@H](N[C@H]1CCCC1(C)C)c1ccccc1	94305029	CDZKYBHKXFBFLM-JKSUJKDBSA-N	245.410	4.552	0	10	BJAE	
CCC(CC)C(=O)C(CC)(CC)c1ccccc1	94676239	CBSZEYLGQIYMJN-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CCCC[C@@H](NCC(C)(C)C)c1ccccc1	103968097	CHMKAARCAOEUCV-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)c1ccc(C)cc1	109705103	NVGJIDDOUGHQOJ-WBVHZDCISA-N	247.426	4.775	0	10	BJAE	
CCCCCC[C@@H](CNC(C)C)C1CCCC1	128265600	CECAAPKHIFYOFQ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CC[C@H](C)c2ccccc21	136962868	TWWKIXOQPHNGGB-AYMQEEERSA-N	245.410	4.649	0	10	BJAE	
CCCCCCc1ccccc1OC(F)(F)F	145713200	ILYOIWGJKGJSPJ-UHFFFAOYSA-N	246.272	4.708	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCCCC[C@@H]1C(C)(C)C	155858581	NAWRCYHCPXXMHS-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCC[C@@H](C)CC2)cc1	159890659	RQVXTGKKXARLCY-UNEWFSDZSA-N	245.410	4.614	0	10	BJAE	
Cc1ccc(C)c(C(=O)CC2CCCCCC2)c1	161870138	HCVCRIZFOJGHFH-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CC(C)CCC[C@H]1CCCC[C@@H]1CNC(C)C	166350418	MOVWUICZQKRYJP-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(C(=O)[C@@H]2CCC[C@@H](CC)C2)c1	168002668	YIUZQZWYTRTPSB-GDBMZVCRSA-N	244.378	4.648	0	10	BJAE	
CCC(CC)C(=O)[C@H](c1ccccc1)[C@@H](C)CC	168652398	RATHLNIDGRPGCT-BBRMVZONSA-N	246.394	4.822	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)C1CCC(CC)CC1	168728452	VGLXULJAFXLVNE-GYTBAZASSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CCC(C)C)c1ccccc1C1CCC1	169047825	NYIDUPONEOUWTF-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CC1CCCCC1	203313679	WBKDEGDMMITUOB-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CC2CCCCC2)C1	203527948	HWSFDSZKQKCSOC-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CCC[C@@H](C)[C@@H]1C	221687033	HANRKHDVUFQBLQ-UGUYLWEFSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H](c1cc2ccccc2s1)[C@@H](C)CC	228813192	JTSBNHHIKDBPJT-XHDPSFHLSA-N	247.407	4.598	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC1CCCCCC1	229341441	IEHJEYCAHWIYCP-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](O)(CC2CCCC2)C1	230785221	KRHFLANZPUAFPI-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
C/C(=C/CCNCC(C)C)C1=CCCCCCC1	232581816	RMGYBPBSDSOAJX-RRIMESBASA-N	249.442	4.849	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)C1CCCCCC1	233347383	QFXVUXMNKWCXIW-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)C1CCCCCC1	306000030	UYIBFAZPDYTAMW-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C(C)(C)c1ccccc1	306026315	ZIDVYWJCMWGKSZ-AWEZNQCLSA-N	246.394	4.606	0	10	BJAE	
CCc1cc(Cl)cc2sc(SC)cc12	306909908	HXMHXSFFXBCAMB-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1sc2cc(Cl)ccc2c1CC	307296187	QLSVFEUEPMIYEZ-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)c1ccc(C)c(C)c1	308042131	BPTXBGDKLQWZHF-NVXWUHKLSA-N	247.426	4.766	0	10	BJAE	
Cc1ccc(Sc2ccc(C)c(F)c2)cc1	309343515	HZRMVWLNPIAROX-UHFFFAOYSA-N	232.323	4.594	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H](C)C1)C(CC)CC	310294748	AJXXLHLUORZEMF-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](NC)c1cccc(C2=CCCCCC2)c1	310629743	MNBKSSXJACFKTJ-QGZVFWFLSA-N	243.394	4.705	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(C)c2ccccc2n1	310688558	NCJADADWRZPLBT-CYBMUJFWSA-N	242.366	4.534	0	10	BJAE	
C/C=C/CC1(CNC(C)C)CCC(CC)CC1	318139569	YJRKQWSFJYQWTE-FNORWQNLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NC)[C@H](C)[C@@H](C)CC	319482039	BKUIISGWKIADMV-ZJIFWQFVSA-N	241.463	4.719	0	10	BJAE	
CC[C@](O)(C[C@H](C)C1CCCCC1)C1CCC1	322293347	RQDFZEAZFTXRON-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C)CCCC/C=C/c1ccccc1	324180174	SEARBBDERMDEOQ-RCLKMUNOSA-N	245.410	4.648	0	10	BJAE	
CCCCCC[C@@H](NC)c1csc(Cl)c1	378994561	KHOSWCLERRQOOV-LLVKDONJSA-N	245.819	4.632	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)c1ccccc1	383156616	PJHYGVOQXCVGSQ-INIZCTEOSA-N	234.383	4.501	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)C[C@H](C)c1ccccc1	384728774	JMMHZAOSGPWZQO-GJZGRUSLSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@H]1CC[C@@](C)(CCC2=CCCCC2)C1	384912810	DSBDZEULECOLHM-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(C)c(OCCC2=CCCCC2)c1	385141586	INIFCFCCXVPXAM-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
C[C@H](Cl)/C=C\c1cccc(Cl)c1Cl	388921913	RWGASIGTZDWOCT-RBSILHGTSA-N	235.541	4.634	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1C=CCCCCC1	393941364	ZPMCNBYUWYRMET-HOTGVXAUSA-N	237.431	4.680	0	10	BJAE	
C1CCCC(CCN[C@@H]2CC23CCCCC3)CC1	394616787	KAZLIIANTYTYGW-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CCCCCC(C)C	394861286	MCCDTCDVIOXHIB-MRXNPFEDSA-N	247.426	4.910	0	10	BJAE	
CCCC1(CNCCCC2CCCCC2)CC1	395267517	NXAOIEUUDDUYBC-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCc1c(S)ccc2cc(C(F)F)sc12	396258437	ZVRHDGIWCAJPTF-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
Cc1ccc(S)c2sc(C(F)(F)F)cc12	396304106	NZPRLAXEYSNFIZ-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CN[C@@H](CCC1CCC1)c1ccc(C(C)C)cc1	398668682	RAQLDCYROBXHTI-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1ccc(C)cc1C	401585877	MUHBUAQXGZKQDH-CVEARBPZSA-N	245.410	4.932	0	10	BJAE	
Cc1ccc(N[C@H](C)CC2CCCC2)c(C)c1	689779146	FOISQTHIZMDICJ-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cccc(C2CCC2)c1	690121672	NAPWJEFAKWXSFZ-GUYCJALGSA-N	243.394	4.945	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C[C@@H](C)CC(C)(C)C	696548931	DQYYWLMNXRAKJT-ZIAGYGMSSA-N	241.463	4.993	0	10	BJAE	
CCCC1CCC(N)(CCC(C)(C)CC)CC1	696805433	JBRHWFCOMBFVFT-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)C1(C(C)C)CC1	697625857	INUUZUPXCBUHPJ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1(C)CCCCC1	697759273	FFRNKAZTJGDJCB-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=CCCNc1c(Cl)cccc1Cl	697772964	XAVPCMPZBSDCNS-UHFFFAOYSA-N	244.165	4.762	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@H]1C[C@H]2CC[C@H]1C2	704907114	ZGOSDTQJJXODHR-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(c1ccccc1C(C)C)C1CCC1	705369148	NMDPKBGKHSPSBQ-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)CCC1CCCC1	707542851	CEBPMTLVGLRJHJ-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@H](C)CC(C)C	709195483	IUBYWIWMGSDDLW-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCc1ccc(NCCCC2CC2)cc1Cl	709243576	VTBSNBPKXDXDKJ-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H](C)CC(C)C	709261814	RWTWJNTXJZRRFP-ZDUSSCGKSA-N	232.367	4.504	0	10	BJAE	
CN[C@H](C1CCCCCC1)C12CCC(CC1)CC2	710342609	VEBSWGKYOVYFIW-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@H](C(C)C)C2)cs1	710757035	BOTXGALJXJYRDA-STQMWFEESA-N	237.412	4.683	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@H]2C[C@@H]2C2CC2)CC1	712900548	XHVWWIPQPRIPQF-GOEBONIOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)CC1(C)CCCC1	713046310	ZBFWZQGAOGCGLQ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](CNCC(C)C)C(C)(C)C	713252496	VQQUUVOQCRTUJP-CQSZACIVSA-N	241.463	4.721	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)[C@@H](CC)CCCC	713689377	ZBMSFMUMGRQRPU-HLZWWYGYSA-N	237.431	4.703	0	10	BJAE	
O[C@@H](CC1=CCCCC1)c1ccc(C2CC2)s1	716555200	KPTSWOMKPKHHGZ-ZDUSSCGKSA-N	248.391	4.549	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CCC(C)=C(C)C	718603919	XEQYEHSWQZVSJK-GJZGRUSLSA-N	226.404	4.700	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)CCC1CCCCC1	718698862	INRWKTGVKXZQNW-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(CN)CCC=CCCC1	718971105	OJOXMCLUNKLYTK-HOTGVXAUSA-N	237.431	4.524	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cscc1C(F)F	720311265	ATHFYRLWUXOUGL-LDYMZIIASA-N	248.338	4.545	0	10	BJAE	
CCCN[C@H](CCC)c1cscc1C(F)F	720335463	HXWWVHAUNDOUMA-LLVKDONJSA-N	247.354	4.527	0	10	BJAE	
C[C@@H](SCc1ccccc1)c1cccs1	737404896	CSNPAJIBXNXXGB-LLVKDONJSA-N	234.389	4.743	0	10	BJAE	
CC[C@H](C)[C@H](C)Sc1ccc(C)s1	1613868914	IAGZUSTZNMEQSI-WPRPVWTQSA-N	214.399	4.583	0	10	BJAE	
Fc1cccc(F)c1CSC1CCCCC1	1651656691	DAGDSDGKFVOABD-UHFFFAOYSA-N	242.334	4.531	0	10	BJAE	
CCCN[C@@H](C)C(C)=CC1CCCCCCC1	1883193440	KVPVOPJRRBWYQA-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC=CCCCc1cscc1C(F)F	1885371322	ACIPNVDVPWRDEA-UHFFFAOYSA-N	216.296	4.585	0	10	BJAE	
CC[C@@H](CC=C(C)CCCC(C)C)[C@@H](C)N	1900900257	JSQZXNAAWXHNGN-CABCVRRESA-N	225.420	4.523	0	10	BJAE	
CC[C@](C)(CO)CC=C(C)CCCC(C)C	1900902804	HZZIBRUZUOWIFX-HNNXBMFYSA-N	226.404	4.558	0	10	BJAE	
CC(C)(C)Cc1ccc(F)c2ccccc12	1901923190	WLPYPPBEDYHSGV-UHFFFAOYSA-N	216.299	4.568	0	10	BJAE	
CC(C)CCCCCc1c(F)ccnc1Cl	1903376604	WZDICAHMDCVPFZ-UHFFFAOYSA-N	243.753	4.633	0	10	BJAE	
CCC[C@@H](O)CCCC[C@H]1CCC(C)(C)C1	1903403222	IUHRZBYHMDNOLO-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CCC)C(C)(C)C	1905373717	ISHRLIQOWSWCAY-DZGCQCFKSA-N	228.420	4.780	0	10	BJAE	
CC(C)(C)C[C@]1(CNC(C)(C)C)C=CCCC1	1916597111	ULOAFIWWSOQIKH-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H]3C[C@H]3C2)cc1Cl	1917358521	QQSGXXBZIAERNF-FRRDWIJNSA-N	249.785	4.503	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C1C[C@H](C)C[C@@H](C)C1	1920196246	HMOZXFKFGMHELP-DSJMHWKBSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@H]2CCCC23CCC3)C1	1921610825	PQFQSIFYLUXLBE-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC[C@@H]1C=CCCCC1)CC(F)F	1925857368	OZVKFVGJQNTGGO-NWDGAFQWSA-N	216.315	4.804	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C=CCCCC1)C(C)(C)C	1925887808	CVJFOHWDKCNQQB-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCc1ccc([C@@H](O)CC(CC)CC)cc1	1926380089	PYPQPKWFTCCCHU-KRWDZBQOSA-N	248.410	4.889	0	10	BJAE	
CCCC(CCC)[C@@H](O)[C@@H](C)CCC(C)C	1937161272	FTNALJOESXKBTH-ZFWWWQNUSA-N	228.420	4.636	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC2(C)CCCCC2)C[C@H]1C	1940407181	OVZKGNHOEMKZGY-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@@H](N)CCC1(C)CC1)C1CCCCC1	1940794367	BSWJKDHPYVNRLP-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(=O)[C@@H]1CCC[C@H](CC)C1)C(C)C	1941263298	AHFRNEVVEWADSJ-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CCCC1CCC1)NC	1941272813	NCQHWMKMZULURU-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CCC(C)(C)C[C@H]1C	1941358054	YKEMAUZBVWVGKI-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C(CCNCC1CCCCCC1)CCC1CC1	1941592118	RALJCYYMAYMAGN-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1(C)CC(C)(C)C1	1941985458	JRAQHBULOAAOON-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)([C@@H](C)CCC(C)C)C1	1942659188	RCGTXCFXTDAZQA-ARFHVFGLSA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)C(C)(C)C1CCCCC1	1944661382	SEZBVRPVBDDPQN-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC(C)(C)F)[C@@H](C)CCC(C)C	1947086976	HUTOUVQAFGQBKM-KBPBESRZSA-N	245.426	4.565	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CC1(C)CCCC1	1948982162	KRFCNBCFAPBNPU-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@H](N)CC2(C)CCCCC2)C1	1949069768	JFTLCUZGGNXAMD-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)C1(N)C[C@H]2CCCCC[C@@H]2C1	1949084884	SUZVQLIPSAZHJA-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(CO)CCC[C@H](C)CC1	1950918225	RBPMKGRGJYHCNC-HRCADAONSA-N	240.431	4.638	0	10	BJAE	
CC=C[C@@H](C)Cc1ccc(OCC)c(C(C)C)c1	1951308476	HODJJGFUEYBNDH-CQSZACIVSA-N	246.394	4.963	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1cc(C)c(Cl)s1	1960259971	YYFDOFMWKHGQHO-SCZZXKLOSA-N	245.819	4.536	0	10	BJAE	
CC(C)CCC[C@H](C)NC[C@@]1(C)C=CCCC1	1967836747	IYJCAXVVTYYJDV-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
Cc1ccccc1OCC[C@@H]1CCC[C@@H](C)C1	1968271882	YMYDWKZQCNSSCF-HIFRSBDPSA-N	232.367	4.590	0	10	BJAE	
CCC1(CC)CC(Nc2ccccc2SC)C1	1968321690	GLRVXHRBPJTKEM-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CCCc1ccc(CN(C)[C@@H](C)C(C)(C)C)cc1	1969040278	RGNGMDBKDLZQSV-AWEZNQCLSA-N	247.426	4.506	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCC12CC2)c1cccs1	1972725853	SAOCOMHCMOWWMC-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
C1CC(=C2CC(C[C@H]3C[C@H]4CC[C@H]3C4)C2)C1	1985534518	KJHFWIFHRUPOPQ-HZUKXOBISA-N	216.368	4.703	0	10	BJAE	
CC(C)C(CC(=O)[C@H](C)C(C)(C)C)C(C)C	1988293335	RZVXFAGXKDGOPM-LBPRGKRZSA-N	226.404	4.556	0	10	BJAE	
CCCC1(C[C@@H](N)CC(C)(C)CC)CCC1	1988461575	KYOBFJLQFPRQDV-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H]1CCCCN(C[C@H](C)CC(C)C)C1	1995743171	FQJKUPZNLRYGKC-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
CCC/C=C/CN[C@@H](CC)CC1CCCCC1	1995873133	IZXAXGFBDLPEMG-DHINHOHASA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CN(C)[C@H](C)C1(C)CCCCC1	1995975792	RAEGPPKNDFWPEN-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CC(C)C[C@@H](C)CN[C@H](C)C1(C)CCCCC1	1995979601	FFOGUFIKFHAKJT-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C2(C)CCCCC2)C1	1995985468	JPYCFXORJZACCH-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](Nc1ccccc1F)C1CCCCC1	1996593368	GMWKRHPEFHUQEO-CQSZACIVSA-N	235.346	4.597	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(N)C1CC2(CCC2)C1	1998646418	SRZULIWPSDMFGL-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCC2(CCC2)C1	1998697791	BKOYPWFOSKXZEA-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCNC[C@H](C)CC[C@H]1CCC=CCCC1	1999991424	ASDYOKNXUWJPFK-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)C[C@H]1CCC=CCCC1	1999997207	WCXGBLKJSZYEIG-OAGGEKHMSA-N	237.431	4.536	0	10	BJAE	
CCC(C)(C)CN(C)[C@@H](C)C1CCC(C)CC1	2002968302	OKNDKSVBOZNSNX-SLTAFYQDSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](N)CCCC)CC1	2003066784	IAVHQXMLIUZUBD-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CC)NC1C2CCCC1CCC2	2003331475	GONAKDIZHGQOOT-UFFJXHMVSA-N	237.431	4.514	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCC[C@@H](C)C2)CC1	2004341088	GZWPUCZYOOPNFM-YHNBSYBMSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)CNCC1(C)CCCCC1	2004711514	KVTXFAOKJDEPMQ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)C1CC=CC1	2005782991	MLYDLQBGCKWLBU-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CC1CCCCC1	2007623421	UFESCXXROQCGKI-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCC/C=C/CNCC1(C)CCC(C)(C)CC1	2007681971	SVCRIOPPJBRQHC-BQYQJAHWSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)[C@H](C)CCC	2007748818	HCIODYBYGWMCAV-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H](CC)C(C)C	2007941193	ZERKJRYEIYWQOT-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCC[C@H]1CNCCC	2009611433	LPMMYXFIGOOCNB-CFSAUIFESA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@@H](CCC1(C)CC1)NCCC	2009617651	VCLMVEBXHUTZPC-DRDHIDPGSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(Cl)ccc1NCC[C@@]12CCC[C@H]1C2	2010995297	OGOPZHLMXRQMDI-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
Clc1ccc(NCC2CC(=C3CCC3)C2)cc1	2011084760	HCHMFFXERVJNPM-UHFFFAOYSA-N	247.769	4.642	0	10	BJAE	
Cc1ccc(CCC2CC(=C3CCC3)C2)cc1	2011087876	RQTYPFLAYPAPGR-UHFFFAOYSA-N	226.363	4.818	0	10	BJAE	
CC1(C)C[C@@H](O)C[C@H](CC2(C)CCCCC2)C1	2012059206	HZRWPDUWRFGMKQ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC12CCC(CC1)CC2	2012816684	AEFJFWPVLWQMFI-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC12CCC(CC1)CC2	2012819513	RHDFNLHDGCVMQU-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCCC(=O)[C@@]1(C)CCCC(F)(F)C1	2014958250	UXYDHHKVLXWMSM-ZDUSSCGKSA-N	244.325	4.518	0	10	BJAE	
CCCC1(C[C@](C)(CC)CNC(C)C)CCC1	2015642340	PLNJHSSETOSGDM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)c1csc(C2(CC3CC3)CCC2)n1	2015747273	LQMJSJWPZHSEPF-LLVKDONJSA-N	249.423	4.878	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@]1(C)C[C@H]1C)NCCC	2016453460	AGHQWOYTWIHXOP-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)C1(C(C)(C)C)CCC1	2017153867	CDAHCTWCLOAMIU-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C1CC1)C(C)=C(C)C	2017484732	AQLYWPLFYXBGMX-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCC[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017738863	PPHZHTHWQSSYON-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CC2(CC)CC2)CC1	2018995102	NNMLXVURSZPXKX-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC1(CC)CCC1	2019188308	HJYFQDJRWMJTGO-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C[C@H]1C[C@H]1CCC	2022483126	IIQIVRZCEGGDMJ-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](CC(CC)CC)NCC	2022486703	OFLYQBAHKXRUCS-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H]1C[C@H]1C(C)(C)C	2022521949	DSRAHGRRHTUEPZ-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CCC1CCC(C[C@@H]2C(=O)CCC[C@H]2C)CC1	2024614809	ZBDQXWLHXJJATH-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@H](C)CCC(C)(C)C)C1	2025579145	TWYUGWYZOGAATG-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC1(CCC)CC1	2026169141	GQSSETAMMTYRHJ-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CC1(CCC[C@H](N)c2ccccc2)CCCCC1	2027311714	NNHUCKVQAMPGMI-INIZCTEOSA-N	245.410	4.827	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CC[C@H]2CC2(C)C)cc1	2027830656	JINLNFPMTAIBOI-HOTGVXAUSA-N	246.394	4.670	0	10	BJAE	
CCCCC[C@H](NC)c1ccccc1C1(C)CC1	2028601766	AYPQFVOOZVRJES-INIZCTEOSA-N	245.410	4.579	0	10	BJAE	
CC[C@H](NCC1(C2CCCC2)CC1)C1CCCC1	2029739442	AUVNOUIBQTZDKL-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C(C)(C)c1ccccc1	2029822700	FGFJOUAEIADECC-AWEZNQCLSA-N	246.394	4.606	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CC[C@H]1C1CCCCCC1	2031754000	FYUZJRQTAAVMEA-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@@H]2CCC(C)(C)C2)cc1	2033405487	ZXJPWULACRUZAW-HZPDHXFCSA-N	245.410	4.636	0	10	BJAE	
C1CCCC(CN[C@H]2CC[C@H]3CC[C@H]2C3)CCC1	2035045932	FPQMGTGUUSRQSZ-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C1CC(C)(C)C1	2036177037	FLKFJTZWFVDBTG-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1([C@H](N)CC2[C@@H]3CCCC[C@@H]23)CCCCCC1	2037185529	IWMIYWAFTAFYIU-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@@H]1C=CCCCC1)c1ccc(C)cc1	2039032668	OXXXMHUCFGMWQZ-SJORKVTESA-N	243.394	4.535	0	10	BJAE	
C[C@H](NCC1(C2CC2)CCC1)C1(C)CCCCC1	2039872803	QFVNWVZCNQHAMF-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CC1[C@@H]2CCCC[C@@H]12)C1CCCCC1	2040678560	UZQVBWGVUVWKSZ-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCCCCc1ccc(NC[C@@H]2C[C@H]2CC)cc1	2042330111	DESVYWGTXBUNKR-CVEARBPZSA-N	245.410	4.877	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H]1CCCCC[C@H]1C	2043186628	GFRGWALEAWGWDL-INMHGKMJSA-N	249.442	4.824	0	10	BJAE	
CC(C)(CC(=O)C[C@@H]1CCC=CCCC1)C1CC1	2045315335	SOYNALBDSYQCDL-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC=C[C@]1(O)C[C@H]1CCC=CCCC1	2045335651	UYOMVZSIOYXFQF-RDJZCZTQSA-N	248.410	4.620	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CC=CCC2)cc1C	2045557257	MIEMFZRFTXTRGT-HNNXBMFYSA-N	242.362	4.541	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccc([C@@H]2C[C@@H]2C)o1	2045559036	RDBWFQAIUUQBCO-NWDGAFQWSA-N	248.366	4.802	0	10	BJAE	
CCC1(C)CC(NC2CC3(CCCCCC3)C2)C1	2046226443	JBEHKJOXZYXINL-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC1CCC(CC(=O)C[C@H]2CCC23CCC3)CC1	2047936349	PKFPLZQVVIVDBL-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](N[C@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2048386167	XCQSMLUOQKAXGN-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(NC2[C@@H]3CCCCC[C@@H]23)CC1	2048389359	HAMDFTZGSKVQNZ-QDIHITRGSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC1(C)CC1)[C@@]12CCCC[C@@H]1CCC2	2048876814	JRYQNRSPMYJVOA-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@H]2CCC[C@@H](C)C2)c1C	2049538149	XBOKJOJJPPCDHF-WQVCFCJDSA-N	245.410	4.930	0	10	BJAE	
C[C@H](N(C)C[C@@H]1CCC=CCCC1)C1(C)CCC1	2052322106	CBNRTWHOEPEELM-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
Cc1cc(C)c(C(=O)C2(C)CCCCCCC2)[nH]1	2052470063	ZBABZNKZGDLAKQ-UHFFFAOYSA-N	247.382	4.565	0	10	BJAE	
C[C@H](N[C@H]1C=CCCC1(C)C)C1(C)CCCCC1	2055529614	XRKKTJCGRMJLJE-GJZGRUSLSA-N	249.442	4.680	0	10	BJAE	
FCc1ccc(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)cc1	2055666700	CMWCLCOVBJAHLB-MIFYACCESA-N	247.357	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1CC(C2CCC2)C1	2056676563	BAVZSPQMFADODF-KKOFPSKJSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C1CC(C)(CC)C1	2056870278	JFRJBWFSMUHNAN-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CC1(CNCC2(C3CC3)CCCC2)CCCCC1	2057648437	NWLWMJCHOGXODW-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C/C=C/CCC[C@H](N)c1cccc2ccccc12	2059207037	LBDDNQZGFPNXBW-YATRRXNKSA-N	239.362	4.586	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCCC)CCCC12CC2	2059258687	IVHDYQSQFGKAGA-RCFWFJCLSA-N	249.442	4.683	0	10	BJAE	
CCCC1CC(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2059392951	YSGMVRGESJAMTD-ILZRDFNYSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)[C@@](O)(C2=CC[C@H](C(C)C)CC2)CCC1	2061083755	FJYVSWIZMSWSMU-DOTOQJQBSA-N	248.410	4.620	0	10	BJAE	
CC[C@H](NCC[C@]12CCC[C@@H]1C2)C1CCCCC1	2061573539	YOWPAYUJFJUCGF-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063536416	RUYXOCHQIKGCQS-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@](N)(CC12CCC(CC1)C2)[C@H]1CC1(C)C	2065339541	MSFLTSYSECTUDU-UMAGBFNSSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@@]1(CNCC(C)C)CCC1(C)C	2068231579	ZFGMKKNKLKJUDL-KRWDZBQOSA-N	249.442	4.561	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)[C@@H]1CCC1(C)C	2068238589	GFSSOSXVQVDNDV-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@](C)(N)[C@H]2CCC2(C)C)CC1	2068275809	JVYHCDQNODBFDV-KMFMINBZSA-N	249.442	4.523	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2C(C)=CCC[C@H]2C)CCC1	2069289677	MIOFZRGHXGIZAI-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CC(C)C1(CC(=O)C2CC(CC3CC3)C2)CCC1	2071918239	BSHSBVQMVOQPFM-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2c(C)cccc2F)CC1	2072793888	OSDVSYDQTPVZKM-HDJSIYSDSA-N	249.373	4.762	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCNC[C@@H](C)C2)CC1	2072809089	LGBBXJUCDAWTFI-JYJNAYRXSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CC[C@H](C)CC2)c(C)c1	2072871856	UNYVUUALFIJJPG-NNUKFRKNSA-N	244.378	4.703	0	10	BJAE	
CCC1(C[C@@H]2CCNC3(CCCCC3)C2)CCC1	2074131655	DDLUBZJAZSRIGD-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1C[C@H]1C1CCC1	2079345483	MYGUJEHLNUOGPP-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2079482003	CPDNYWKRDNZWJK-JKSUJKDBSA-N	248.410	4.908	0	10	BJAE	
CCCC1(CN[C@H]2C[C@@H]2C2CCCCC2)CCC1	2079532873	XJRMDMQIYRXKOY-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1cc(CC)ccc1CC	2079643489	XLVJHCOMBAWTMH-JKSUJKDBSA-N	245.410	4.660	0	10	BJAE	
CCC1([C@H](N)C[C@H]2C[C@H]2C2CCCCC2)CCC1	2079709207	DTZWMRJHILLPCB-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
Fc1cccc(N[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1	2081142534	YPOVAESCCYUUJO-UHOFOFEASA-N	247.357	4.597	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C1=CC[C@@H](C(C)C)CC1	2081784781	GVKUXBXQRYIJNM-WBVHZDCISA-N	249.442	4.703	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1C[C@H]2CCC[C@H]1C2	2086157737	IPDIAWZDLCRAMB-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC(=O)CCCCC1CC1)C(C)(C)C	2211106919	HDYAVAMEECRDBK-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
Cc1csc(C(=O)[C@@H]2CC23CCCCC3)c1C	2213641347	NZZFNABQXMCXSI-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
Cc1csc(C(=O)CC[C@]23CCC[C@@H]2C3)c1C	2213649466	FJDXDNMFPQZLGM-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
C[C@@H](C(=O)CC1(C)CC2(CCC2)C1)C(C)(C)C	2215429052	FRCLYYWAHIHJIG-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](NCC)[C@]1(C)CC=C(C)CC1	2215818523	ROZLYHCGAOPMSP-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2ccsc2C=O)cc1	2215939821	GWIYHLMYYRRVHC-LLVKDONJSA-N	244.359	4.741	0	10	BJAE	
O=C(CCCCCC(F)F)CC1CCCCC1	2216517196	XPKCMYUZZLSJSG-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CC(C)(C)[C@](C)(O)CCCCCCCC1CC1	2216862784	LUWSKDGKNFMAGC-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218342243	ZSWLZQDPSRGCRG-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCC1CC1)c1cccc(C2CC2)c1	2220016304	NWBFSKHLMRLZKW-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
N[C@H](CCCCC1CC1)C1C[C@H]2CCC[C@H](C1)C2	2220038642	NRMHRBUFIDQIAQ-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC1(N)CC2(CCC(C)CC2)C1	2220875789	FVFWVNTXOCQELV-QZAQUIPZSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@]1(C)CC=C(C)CC1	2221616805	VSYPAIUFXDHUSH-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1C=CCCC1	2223107347	YHOWLWCVXLWZFB-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CCNC2(CC2)C1	2223130182	KBSHQECWHXMOER-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H](C(=O)c1ccc2occc2c1)C(C)C	2224197166	AJUBPVJEDCMABV-CQSZACIVSA-N	244.334	4.688	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)c1ccc(C)s1	2244782922	OQPVZTJLTUJPIZ-OCCSQVGLSA-N	239.428	4.533	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@@H](O)C(C)C	2244846829	HZETYYBZSGIDBQ-HUUCEWRRSA-N	228.420	4.636	0	10	BJAE	
CCC1([C@H](N)CC[C@H]2CCC[C@@H](C)C2)CCC1	2246660174	NXUBABCGSUUBMC-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](C)(O)CC[C@@H]1CCC[C@H](C)C1	2246689447	AURWJHADIFEGSR-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@H](C)CC1=CCCCC1	2247495426	DSXBHKKQVZPEPP-ZIAGYGMSSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](O)CC1=CCCCC1	2247515399	XVJKYAZOTOZEQA-JKSUJKDBSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1csc2ccccc12	2250354003	ZPLKPAVCWMFVGV-IAQYHMDHSA-N	247.407	4.727	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H]1CCCCNC1	2250531442	XYNDHEKQUAENEQ-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@]12CCC[C@@H]1CC2	2251212498	RQLGOQNPKBIGDL-OWCLPIDISA-N	237.431	4.645	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@]12CCCC[C@@H]1CC2	2251220261	XLUOZHTWUJWVIP-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H]1[C@H](O)C(C)(C)CCC1(C)C	2251706256	BYNBHYIXDBKCSJ-IHRRRGAJSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCC[C@H]1[C@H](O)C(C)(C)CCC1(C)C	2251708940	UTADUPGCCKQAAR-AGKLADILSA-N	238.415	4.556	0	10	BJAE	
Cc1cccc([C@@H](N)CCCCC[C@H]2C[C@H]2C)c1	2257294631	XDTVBVYDGBYDLR-VYDXJSESSA-N	245.410	4.601	0	10	BJAE	
C[C@H]1C[C@H]1CCCNc1cccc(C(C)(C)C)c1	2257906468	WAZGQXAKXGSQBO-UONOGXRCSA-N	245.410	4.832	0	10	BJAE	
CC1(CC(=O)C[C@@]23CCCC[C@H]2CC3)CCCC1	2260627864	SBDVFMCEWKNTOS-YOEHRIQHSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H](C(=O)c1cccc(CC2CC2)c1)C(C)C	2260905152	MBYKMSLDLGZRHT-MRXNPFEDSA-N	244.378	4.504	0	10	BJAE	
CC(C)c1ccccc1O[C@@H](C)CC1CCC1	2298878472	LHOQTVNQBSDOIF-ZDUSSCGKSA-N	232.367	4.768	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C[C@@H](C)C1CC1	2300700189	KGQFTQHNPPMIIO-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1C[C@H](CC=C(C)CC)C[C@@H](C)C1	2300897934	YVFLQOWNYWJWTK-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)CCCCC[C@@H]1C[C@H]1C	2301942383	PUORYFLBDYXKHU-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CC(C)(C)[C@H]2C)cc1	2302145575	AGVVRQHQCBOJIW-SWLSCSKDSA-N	231.383	4.657	0	10	BJAE	
CCCC(C)(C)CNCCCC1=CCCCC1	2302346464	HHLPKZWRCCBJGB-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
C[C@@]1(O)CCCC[C@H]1CCCC1=CCCCC1	2302362530	ZVLRGOOJHFVDEE-JKSUJKDBSA-N	236.399	4.598	0	10	BJAE	
CCCCC1CC(O)(C[C@H]2CCC(C)(C)C2)C1	2302710087	NIDRJXJGEQKROG-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CCCCN(C[C@@H]1CCC(C)(C)C1)[C@@H](C)CC	2302875056	DDNPWAWUOVFEFH-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCc1cscc1N[C@H](C)C12CCC(CC1)C2	2302881722	BHQSJXQTMMEDGC-XIKARTHZSA-N	249.423	4.691	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@](C)(N)CC(C)(C)C)CC1	2303521935	KBMIIOHARRFJCV-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CC(C)(C)CC2=O)C1	2304448277	WKULXXZHXJSDFK-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)[C@H]1CCCC2(CC2)C1	2307901182	XSIMEHCRUYMOJC-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	2308399662	CSVDMSBIOPFSMF-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CCC1CC(C[C@@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2309902206	OMSSZIHLMGKCRH-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@@]12CCC[C@@H]1CC2)CC1CCCCC1	2313331050	WFJVPWYATQXWEK-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C(=O)C(CC2CC2)CC2CC2)CCC1	2313691315	FLJFYGRCILNCNI-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCc1cc([C@@H](CCC(C)(C)C)NC)ccc1C	2314701215	AIUIVAZMOAOMTL-MRXNPFEDSA-N	247.426	4.644	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC(F)=C1CCC1	2315874193	GAASGCIGTDURKK-UHFFFAOYSA-N	247.357	4.938	0	10	BJAE	
CC(=CC[C@H](N)C1C[C@@H]2C[C@H]2C1)CCCC(C)C	2316509568	IVIAIVGWGJLMQH-ZOBUZTSGSA-N	249.442	4.523	0	10	BJAE	
CC(=CC[C@]1(N)C=CCCCC1)CCCC(C)C	2316562398	IZBWNBJUFJAMDU-KRWDZBQOSA-N	249.442	4.977	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)c1ccoc1C	2316864685	GKIAKFXBJGWWGN-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CCCCC[C@H](C[C@@H]1C[C@H]2C=C[C@H]1CCC2)NC	2317158148	SKLCFZCHXZMCBE-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@@H](C)[C@@H](C)C(C)C)cc1	2317821577	WIVYEPPORIQOQB-ZQIUZPCESA-N	247.426	4.567	0	10	BJAE	
CN[C@@H]1[C@H](C)CCC[C@@H]1CCCC1=CCCCC1	2318540470	QDMKSKYSUZRFET-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)[C@H]1C=CCCC1	2318596844	DRCODQGMKUNODK-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC[C@](O)(C[C@@H]1CCC(C)(C)C1)c1ccccc1	2319081935	SYSMTSYPHQZTJC-PBHICJAKSA-N	246.394	4.501	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CCCC[C@@H]2C[C@H]21	2319347753	JBKFOLZGDRECSC-DJIMGWMZSA-N	241.378	4.555	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CC[C@@]12CCC[C@H]1C2	2320217737	PDYSCASDKWJAJP-ZOMKSWQUSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](NC2CC3(CCCCC3)C2)CC1	2320239968	IVHSCNIPINMJGM-OAHLLOKOSA-N	247.426	4.578	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC[C@@H]2C(C)(C)C)cc1C	2320319498	GCEAJSRUSFMIBR-HOCLYGCPSA-N	245.410	4.788	0	10	BJAE	
CCC1CCC(CN[C@H]2CCC(C)=C(C)C2)CC1	2320411366	DLVHEBVCNGYBKO-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CC1([C@@H](N)[C@@H](CC2CC2)C2CC2)CCCCCC1	2320815306	ZPKSLXOOKPEOHF-HOTGVXAUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2CCC[C@H]3C[C@@H]32)C1	2321604299	ACUYUFLNEKLIGK-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@@H](C)C2CCC2)c1	2327702479	YLKYEWGQFFNKAV-SUMWQHHRSA-N	245.410	4.554	0	10	BJAE	
CC(C)CCCCCCNC1CCCCC1	20563697	ZLOIOBQMTBIYOT-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
C[C@H](N[C@H]1C[C@H](C)CC(C)(C)C1)c1ccccc1	21013099	WIVXLGBRRYXYGB-DZKIICNBSA-N	245.410	4.552	0	10	BJAE	
CC(C)C[C@@H](C)Nc1cccc(C(F)(F)F)c1	21813942	UJMWZFVMVLLHEX-SNVBAGLBSA-N	245.288	4.552	0	10	BJAE	
CCCN[C@@H](c1ccc(C(C)C)cc1)[C@H]1C[C@@H]1C	36820179	BIZRLGRHKWNEJK-JQFCIGGWSA-N	245.410	4.507	0	10	BJAE	
Cc1cc(C)c(SC(C)(C)C)c(C)c1	39218700	PQGMGUMHOPJNNR-UHFFFAOYSA-N	208.370	4.502	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@@H](C)NCCC	70743981	AADWQJUZHXESRC-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CCC)NCCC	71085291	KHFMTBWXIBAMOS-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](C)CNCCC	82763866	CUPJCRQCKQNMIO-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H](C)C2CCCC2)CC1	86909417	RCUBPQOYCUYDCC-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H](C)c2ccco2)CC1	86939339	SJMRSVPBZAIEHT-RRFJBIMHSA-N	249.398	4.679	0	10	BJAE	
CCCN[C@H](C)c1cc2cc(C(C)C)ccc2o1	88073165	BLCVSKYZJKBREU-GFCCVEGCSA-N	245.366	4.617	0	10	BJAE	
CCCCc1ccc([C@H](O)C2(C)CCCC2)cc1	94906758	UFYWZAQHIOMCCF-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@H]1CCC(C)(C)C	103937366	DLXDANFFKYQWNW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)Cc1ccc([C@H](C)NCC(C)(C)C)cc1	109788215	SZIMGFKYWMBGBG-AWEZNQCLSA-N	247.426	4.582	0	10	BJAE	
CCCCC[C@@H](NCCC)c1cc(C)oc1C	110227652	NRHLCHKNFZBCJV-OAHLLOKOSA-N	237.387	4.517	0	10	BJAE	
CC(C)(C)C1CCC([C@@H](N)C2=CCCCC2)CC1	110228321	NCNACMMFFFJHDC-GPANFISMSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](C)c1ccc2c(c1)[C@@H](O)CC(C)(C)CC2	110269807	SDVBESPOKGJCNV-WBMJQRKESA-N	246.394	4.596	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)C1=CCCCC1	111649414	QVUCKMWWUXFENY-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)CN[C@H]1CC[C@@H](C)c2ccccc21	136969473	HKWWSDWXHKGSOT-CPUCHLNUSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cccc2ccccc12	143102346	UBNQHGCVQVZDIH-CYBMUJFWSA-N	240.346	4.849	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)C1CCCCCC1	149820385	FCXZOLVBEPBORT-GOEBONIOSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)C1CCCCCC1	150022270	FCXZOLVBEPBORT-ZBFHGGJFSA-N	239.447	4.904	0	10	BJAE	
CCNC[C@H]1CCCCC[C@H]1CC(CC)CC	150106480	UJONYAIKLWGYRS-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CCC(C)(C)C[C@H]1C	155838544	XVUMHAUOLZCIPQ-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](c1ccc(C(C)C)cc1)C1(C)CC1	156398959	LYLKCGSBJRLATE-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@H]1CCCC[C@H](CCCC(C)C)C1	166178518	YXDPBVLIVMVVSN-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCC[C@H](C(C)C)C1	230986431	XHRGVIUFRSHULK-LSDHHAIUSA-N	231.383	4.622	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc2ncsc2c1	232951786	JRQIITFXEICMRN-LLVKDONJSA-N	248.395	4.677	0	10	BJAE	
CCC[C@H](CC)Nc1cccc(O[C@@H](C)CC)c1	233349199	GAAOUKHRYLDTPT-KBPBESRZSA-N	249.398	4.855	0	10	BJAE	
CCc1ccc(NC[C@H]2CC(C)=C[C@H](C)C2)cc1	234154893	WWUOZZRUHGDIOJ-XJKSGUPXSA-N	243.394	4.653	0	10	BJAE	
Cc1cc(C)c2[nH]cc(CCC(C)(C)C)c2c1	235833343	HKDRRIJQULPRQE-UHFFFAOYSA-N	229.367	4.763	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1C[C@@H](C)CC[C@H]1C	251365351	PURZUDZREBYWEM-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@H]1CC	252955445	RFMFVBMIHDKHRI-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CCC1(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1	300596088	QDZKPIXDYISNFE-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC[C@](CO)(CCCC(C)(C)C)c1ccccc1	302291760	LFPVPHPBKJTEEF-QGZVFWFLSA-N	248.410	4.543	0	10	BJAE	
CCCC[C@](CC)(CCCC(C)(C)C)C(=O)O	304143779	KBIALAPVGONCLE-OAHLLOKOSA-N	242.403	4.874	0	10	BJAE	
CC1(C)CCC([C@@H](N)CCC2CCCC2)CC1	305895941	IGRGYRJYUFVTES-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)C)c1ccccc1C	305956497	NWIKAUGEOIQKQP-YOEHRIQHSA-N	247.426	4.718	0	10	BJAE	
CCc1c(Cl)cc(SC)c2ccsc12	307113834	BAZVVPXHGBYYEX-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1cccc(C(=O)[C@H](CC)CC(C)C)c1	308055701	OAGBFCVCSCMJFL-CQSZACIVSA-N	232.367	4.504	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)[C@@H](CCC)CC(C)C	308060099	RMLREBCDYYEVAS-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
Clc1cccc(O[C@@H]2C=CCCCCC2)c1	309134505	AVIJSCRHQCLXQB-CYBMUJFWSA-N	236.742	4.608	0	10	BJAE	
CCCNC[C@H](CCC)C[C@H]1CCC[C@H](C)C1	310384936	HNDNCYFYQATOTN-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)c1cccc(CC)c1	310581738	ZSRZARNNASQDCT-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)c1cccc(C)c1	311076738	VXNFFSGMOKTOFW-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
Cc1ccc([C@H](O)C[C@H]2CCC[C@H](C)C2)cc1C	311081019	FXBRRMQBYYNDII-YLQAJVPDSA-N	246.394	4.553	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCCC12CCCCC2	313131135	YNZSEHDHDPXGCO-MRXNPFEDSA-N	243.394	4.910	0	10	BJAE	
CCC(CC)C[C@@]1(CNC(C)C)CCC[C@@H]1C	318078568	PQEDFKYWCXRRGC-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(C(=O)[C@H](C)C(C)C)CC1	320133236	ZPYHATLLQYFRJF-WLYUNCDWSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCCC23CCCC3)c1	328112149	OHFGQGRFQPBTHG-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
CCCC[C@@H](CCC)Nc1ccc(C#N)cc1C	378909591	PJTBBFKBNHWSCL-OAHLLOKOSA-N	244.382	4.638	0	10	BJAE	
Cc1cc2ccccc2n1CCCC(C)(C)C	379607527	DGOUAWZCZRRAPU-UHFFFAOYSA-N	229.367	4.776	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C1(CC)CC1	379741401	KZQOIVDDQIOCEL-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccccc1[C@@H](N)C(CCC)CCC	384659705	OKBBBEIGTQNBIG-KRWDZBQOSA-N	247.426	4.855	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(CCC2=CCCCC2)C1	384912814	DSBDZEULECOLHM-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
Cc1ccccc1[C@H](O)CC1CCC(C)(C)CC1	385165458	DPMOWCBBIVSNRL-MRXNPFEDSA-N	246.394	4.635	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@H](C)CC(C)(C)C)C1	385225359	SZGFLUBUQHTVQF-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C[C@H](Nc1ccc2ccccc2c1)[C@@H]1CC1(C)C	397645922	ZIACRQPHAXJAMV-LRDDRELGSA-N	239.362	4.686	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1cccc(C)c1F	401791788	GMATWXGBAAEVQZ-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cccc(C3CC3)c2)C1	690078101	VAPSCUYYBHPDKK-CZUORRHYSA-N	243.394	4.945	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)C1=CCCCCCC1	691189869	VQLVUWNHWGSXMU-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC(C)(C)CC(F)F)NCC	694088248	QVWXRAIHOFGLHA-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCC12CCCCC2	694383064	KNFPCOJEINAQBM-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(CNC[C@@H]2CCCC3(CC3)C2)CCCCC1	695715115	CUHDLIFYWGTZKD-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1CCC(C)(C)CC1	696803531	RLKFGIDTWCTWLV-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCC[C@@H]1C[C@@H](C(C)(C)C)CCN1	699566278	UALMGSFDAPXFKD-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CCCC(F)F)CC1	699922495	IEEWWQRCGFKOBJ-JSGCOSHPSA-N	248.357	4.533	0	10	BJAE	
CCC(CC)CC(N)(CC(C)C)CC(C)C	704893460	FGVWOARTKOJBHD-UHFFFAOYSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](O)C1CCCCCCC1	704895253	PLTQCCXDMFGIRD-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC[C@]2(C)C[C@@H]2C)cc1	707708817	FWDPEJGIDTWJTD-ZQIUZPCESA-N	245.410	4.507	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)[C@H](C)CC(C)(C)C	708302900	UCCLHRPTFZHSDB-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1C[C@H]2CC[C@H](C2)C1	710923631	GTZNXWOWDBKQKK-DABQJJPHSA-N	249.785	4.639	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1cscc1Cl	711506896	QRDTYGKTXPWHIV-NSHDSACASA-N	246.803	4.651	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](N)CC(C)(C)C(C)C	713242500	ZZPSHZVRQOCRSM-CVEARBPZSA-N	247.426	4.580	0	10	BJAE	
C=C/C=C/CCCC(C)(C)CC(F)F	713670273	GRLSORUFFHIUKE-AATRIKPKSA-N	202.288	4.580	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CC(C)(C)CC[C@H]1C	717507131	DWJHPVUGZFJDHI-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)C/C=C1/CCC[C@@H]1[C@@H]1CCCCN1	718637066	YOUQOEFFEVLRKX-VIVNAEHYSA-N	247.426	4.601	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCCC[C@@H]1C	719151905	WMBOEEUWQYKXQC-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCCC1(C)C)c1ccccc1	719255224	RIDBDDJWGJZFTI-GDBMZVCRSA-N	245.410	4.696	0	10	BJAE	
C[C@H](C[C@H](O)CCCC1CC1)C1CCCCC1	720160953	KZBNUBMYQXFSMU-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2CC(C)(C)C2)CC1	723562596	MLDHLNXELGOMLG-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCCN(CCCC(C)C)CC1	1459948608	DWFPYUNVXRCDLF-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNCC1CCC=CCC1	1658949657	NJIMEGLSOVZNRQ-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CCCc1ccc(CCCC(C)C)s1	1889470046	IJAURIDWQSCLOS-UHFFFAOYSA-N	210.386	4.679	0	10	BJAE	
CCCc1ccc([C@H](N)[C@@H](CC)CCC)s1	1900668164	LSLLFNUVBQUGEF-SMDDNHRTSA-N	239.428	4.527	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCC(C)(C)C1	1900699858	FWNXTBKGYLFWLA-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC1CCC(COc2ccsc2C)CC1	1904925775	VFQBBUUGQKYCNY-UHFFFAOYSA-N	238.396	4.652	0	10	BJAE	
CCCC[C@@H](C[C@@H](CC)CCC)NCCC	1905434916	NVJFJJFDXKRMCK-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)CCC1CCCCC1	1910743167	NXLOPAYJPRCHIQ-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC=C[C@@H](C)Cc1ccc(CCCC)cc1	1911991306	BSOWFZVFACSGGL-CQSZACIVSA-N	216.368	4.784	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(O)CCC2(CCCCC2)C1	1915854130	FUDWGCAEMQWQCQ-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1C(=O)C[C@H]2CC[C@H]1C2	1916090532	MREVVAKTMOHUFK-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CC(C)CNC[C@@]1(CC2(C)CCCC2)C=CCC1	1916380082	JOEGHINLPQOYTN-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@](C)(O)c1cccc(C(C)C)c1	1919961791	IAVXWDIMRRWIML-KRWDZBQOSA-N	248.410	4.988	0	10	BJAE	
CCCCC[C@H](NCCC)C1CC(C(C)C)C1	1921273481	UDNNOUWKQOHZFY-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H]1CC[C@]1(N)CCCCCC1(C)C	1921538210	FPXGOJAORYAKCX-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC(=O)CC1CCC(C)CC1	1926214207	ZWVVDSLQWNOTQZ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCCC1(NCC(CC)(CC)CC)CC1	1936928049	XUGRSGYRANNMJO-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCC(C)(C)C1	1937995425	BJFHHWLYEWRMQR-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@H](Nc1ccsc1)C2	1939222480	SHUOQZNTFBNNID-FPMFFAJLSA-N	235.396	4.519	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CC1(C)CCCCC1	1940383857	WFWMHMPURGKZOO-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)CCC1(C)CC1	1940789815	GRRMNAYPFFMUGR-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CC[C@H]1CC1(C)C	1940853424	NZLPOZPIMYOCLU-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)CCC1=CCCCC1	1940857472	XMMVMFJYBLBNKE-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)CCCC1CCC1	1941263396	OGADGTKKHLXFNI-HZPDHXFCSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CC(C)(C)CC)NCC	1941274092	WHYFINAESSIRKV-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)C1CCCCCCC1	1942665670	ZSWJYXRWMPMQAK-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)CCC1CCCCC1	1944794693	KTYYVVWBVHEUEB-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC[C@H]1C1CC1	1945002812	PXTKKJMXRUENPJ-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H]2[C@H](C)[C@H]2CC)cc1	1945662249	AVHGQRUITQLEAL-UAXWRAGISA-N	232.367	4.623	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC[C@@H](F)C1)CC(C)(C)C	1946952223	HUUNVTNOWYDCRE-JHJVBQTASA-N	242.378	4.546	0	10	BJAE	
CCCC(CCC)N[C@@H]1CC[C@H](C)[C@@H]1C(C)C	1947510750	QOKOIKJFRUOVPB-IMJJTQAJSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C[C@H]1C=CCCC1	1947578451	XJWRHSFYRLGWPC-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(C2CC(C)(C)C2)CC1	1948155294	KNCWDNSXLHTZDN-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H]1CCC(C)(C)[C@H](NCC)C1	1949660248	HPNRRQRGJPEDNN-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CCC(=O)CC1CCCC1)CC(C)(C)C	1949869587	JHNUBQCCAOBIBF-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C2CCCCC2)CC1	1950921171	CNJXQMARFAGRDD-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCC=C(C)C)CC(F)(F)F	1956822655	XVCSVVDEMYXCHE-JTQLQIEISA-N	208.267	4.711	0	10	BJAE	
CC(C)CCCN(C)CC[C@H]1CCC[C@H](C)C1	1962921496	LGWOKXBWPGJCLB-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
CCCC1CCC(NC2CC[C@H]3C[C@@H]3CC2)CC1	1966012759	XCIUVHVBGMBTAJ-PYBGIAKNSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H]2C2CC2)CC1	1966047596	FTAURAGSWDIKHJ-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)CN1CCCc2ccccc21	1968231608	CCQWJZQFOSQFDC-OAHLLOKOSA-N	245.410	4.656	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H]1CCC(C)(C)C1	1968270793	NURCYUBAQNLWSD-CQSZACIVSA-N	232.367	4.509	0	10	BJAE	
Fc1ccccc1NC1C[C@@H]2CCCCC[C@H]2C1	1968276515	CPYKRJBXNIVNDX-STQMWFEESA-N	247.357	4.597	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2CC[C@@H](C)C2)cc1	1968401826	QOAATWJXCUMINP-ZIAGYGMSSA-N	232.367	4.625	0	10	BJAE	
C[C@H](CN1c2ccccc2CC[C@H]1C)C(C)(C)C	1968431270	YJKRPFHWIWIHNQ-ZIAGYGMSSA-N	245.410	4.510	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CCCCC2)C1)C1CCC1	1969750840	ZXPKUGXOHSAGNG-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
Cc1cscc1N[C@@H](C)C1(C)CCCCC1	1975577170	ZOTIGDBBILGUFH-LBPRGKRZSA-N	237.412	4.827	0	10	BJAE	
C/C=C/CCC[C@H](CCC(C)C)NCCC	1984638029	DDJANIJCSXDIQF-KEDPEKRHSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)C(=O)CC1(C(C)(C)C)CCC1	1989452512	ZLUQJEDCQFOGPK-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@](O)(CC)CCC1CCCC1	1990091853	RVVOIPMCTOQLKY-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)C(CC)CC	1990093858	PJUDJWUWCLLVFE-DZGCQCFKSA-N	227.436	4.760	0	10	BJAE	
CCCCCC[C@H](N)CC[C@H](C)CCCC	1995261161	BKIXLSANOQCJAX-CABCVRRESA-N	227.436	4.891	0	10	BJAE	
CC(C)c1cccc(NCC[C@@H](C)C(F)F)c1	1996080936	NITTVWNWLWDRHY-LLVKDONJSA-N	241.325	4.513	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@](C)(O)C2(C)CCCCC2)C1	1996269750	MBWPPHGSXFIZJV-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
Cc1cc(NCC2CC3(C2)CC(C)(C)C3)cs1	1996771984	AOSNQDFCRBMBTF-UHFFFAOYSA-N	249.423	4.685	0	10	BJAE	
CC1(CCCC2(O)CC(C)(C)C(C)(C)C2)CC1	1997804007	DZAZKNIQZIRCGN-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H]1CCCC[C@@H]1CC	2000389612	FQRICADPZCUSGZ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C1(N)CC2(CCCCCC2)C1	2000669405	DXBVKMFLXYYPSC-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002218621	IQMZDYDDVOJBPN-ZSHCYNCHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1[C@H]2CCCCC[C@H]21	2002231047	NGKMLWZIMVRITA-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CC(F)(F)CCC[C@H]1CCCCCCC[C@@H]1O	2003112181	RUXUZLYCBIKOKF-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@H]1CCCCC12CC2	2005609616	JVTHSBDXHKALCJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C1=CCC(C)(C)CC1	2010712309	HYULCTBIXQWVKS-XJKSGUPXSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)C1=CC[C@@H](CC)CC1	2010714045	GNIZTAMUWDXZRA-SQWLQELKSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](N)(CC)C1=CC[C@H](C(C)(C)C)CC1	2010728743	IHXHPMYXGKGODV-XJKSGUPXSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@](C)(N)C1=CC[C@@H](C(C)(C)C)CC1	2010729619	PXZMVLPZQJIFQJ-CZUORRHYSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011996603	LZRQIVWVGQVAFJ-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)C=CCC(C)(C)C1	2012065637	WRCYPQTXOXZLAS-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@H](CC)CCC(C)C	2013264817	QCKGVAOSIRFAPN-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](CCC[C@@H](C)C(C)C)C(C)(C)C	2015409237	PCTZTGYVHBZQIX-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCC1(C[C@@](CC)(CNC)C(C)C)CCC1	2015643971	IHTYDZMMMIJHOF-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCC1(C[C@](C)(O)CCC=C(C)C)CCC1	2016149523	KIGFOUWVXAMXRV-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H](C)C2CCCC2)CCC1	2017124763	IHDZQPCGRPFLAE-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(CC(=O)CC2(C)CCCC2)CCC1	2017127267	MDVMRRYTUMDSCJ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC1CCC(C[C@](C)(N)CCC2CC2)CC1	2017731334	QHHBINWMIQATMJ-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C2CCCC2)CC1	2017776072	KOBPUOKUMZRWDI-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CC)NC1[C@H]2CCC[C@H]1CC2	2018132703	VPYXTCMXWKCKEO-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@](O)(CC)CCC[C@@H]1CC1(C)C	2018136444	LDUNEPJOKSTXFW-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@](C)(CC)CNC(C)(C)C	2022498038	GDNJRDKQNWLPRJ-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)C1CCCCCCC1	2022560039	LHDYENLIHULRQH-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCCCC(C)(F)F	2023293855	BQKSIRRZPVQZRE-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)C(C)=C(C)C	2025435395	KWJZGVODFMHPCG-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H]1CC[C@H](CC)C1	2025611942	GHUNUCORLBYYDK-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NCC)C(C)=C(C)C	2026058186	CJHDVYRKKOEJBM-GDBMZVCRSA-N	239.447	4.927	0	10	BJAE	
CCC(CC)C[C@@]1(CNC2CC2)CC=CC[C@H]1C	2027926937	SGTRDIXIPWKSCY-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@](C)(O)[C@H](C)CCC(C)C)cc1C	2029837735	PVHCOUGWCCAELS-WBVHZDCISA-N	248.410	4.583	0	10	BJAE	
CC(=CC1C[C@H](C)C[C@@H](C)C1)c1cccc(N)c1	2031801069	KHGCDDWPFKSIEB-CHWSQXEVSA-N	243.394	4.744	0	10	BJAE	
CC(=CC1C[C@H](C)C[C@@H](C)C1)C[C@@H]1CCCCN1	2031822335	ZYCUSCGYVUOFND-CPUCHLNUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1ccccc1O[C@@H]1[C@H]2CCCC[C@H]21	2033481026	YXSXMSRXKSNHPC-VIKVFOODSA-N	244.378	4.552	0	10	BJAE	
Cc1cccc(F)c1NCC(C)(C)C1CCCC1	2034019269	IEIPKDOHRQDUBY-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CC1(CC2(N)C[C@H]3CCCC[C@@H]3C2)CCCCC1	2034148097	ALKFGQNHBGLDIS-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)c1ccc(NC2CC3(CCC3)C2)cc1	2034552661	IMQULDXGWQHPPI-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(N)CCC2(CCCC2)C1	2037177988	JDGBEFATEVCOOT-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC2(CC(C(=O)CC3(C)CCCC3)C2)C1	2039417481	HNEXJZACYPOUID-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C1CC2(C1)CC1(CCC1)C2	2039459975	JYQFOBYLFOSMDV-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H](C)CC1(N)CC2(C1)CC1(CCC1)C2	2039464951	ZPFBMFAASCPPAR-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](NCC1=CCCC1)C1CCC(C)(C)CC1	2040679949	GMQQYPXPNIWOSS-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@H]2CC23CCCCC3)C1	2045459416	CPPPVPKUNZFXTK-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1	2045571320	SYDOSQVMHHCRSZ-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)(CC)C(=O)Cc1ccc(C)c(C)c1	2045608318	JEAFLBKKYWBTAU-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)C1(CCC)CCC1	2045814431	ZMVCAJUDHSYQAG-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(=O)C2CC(C)(C)CC(C)(C)C2)o1	2048216812	SDOXOURJXPEWMT-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048466323	WHYUYSCNCASXKY-LISQQWEMSA-N	248.410	4.598	0	10	BJAE	
CC[C@@](C)(CNC1CC1)C[C@@H]1CCCC2(CC2)C1	2049848147	HISPQRFXMCKNKF-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1CC(CC2CC2)C1	2050218991	GDZCMGDMLSCSCK-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H](N)c2ccc(C)cc2)C1	2050427804	TUDWITQPNMTKOJ-HLLBOEOZSA-N	245.410	4.601	0	10	BJAE	
Cc1cccc([C@H](N)CC[C@H](C)CC(C)(C)C)c1	2050456669	TVEBYYCPMNGACB-GOEBONIOSA-N	247.426	4.847	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1	2050462423	CBUQNNSFLJHXGT-SOUVJXGZSA-N	244.378	4.640	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@]1(CNC(C)(C)C)CC=CCC1	2055301094	MPWSFLIMSIGQLZ-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](C=C1CCCCC1)C1CC2(CCCCC2)C1	2056871019	PSHCCDOYSUVYKB-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
N[C@@]1(C=C2CCCC2)CCCC2(CCCCC2)C1	2056916883	NAHFDAUWQBCHAG-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CCCCCC(=O)c1cccc(SCC)c1	2060334639	ULQVKVPVXDABMF-UHFFFAOYSA-N	236.380	4.562	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C1=CC[C@H](C)CC1	2060914118	PRWNJRMVJQNVSU-ZQIUZPCESA-N	247.426	4.587	0	10	BJAE	
Cc1cccc(NCC2CC(=C3CCC3)C2)c1C	2061721476	XBYUPZRXJLMBJW-UHFFFAOYSA-N	241.378	4.606	0	10	BJAE	
CC=CCCCN[C@@H](C)c1c(C)cc(C)cc1C	2062372133	NUGIKCJHPXBBTI-INIZCTEOSA-N	245.410	4.619	0	10	BJAE	
Cc1cc(C)c(C(=O)CCC[C@H]2C[C@H]2C)cc1C	2062630297	KXBDFTZNXJCVSP-HIFRSBDPSA-N	244.378	4.621	0	10	BJAE	
C[C@H](C[C@@H]1C[C@@H]2CCC[C@@H]2C1)c1ccc(N)cc1	2063488248	AQUYBGNFPGQUAF-LUYZLQTOSA-N	243.394	4.589	0	10	BJAE	
N[C@H]1C[C@H](CCC2=CCCCC2)CC2(CCC2)C1	2063634840	GUOMMGAGPSLAHQ-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
O=C(CCC1CCCC1)CC12CCC(CC1)CC2	2065280614	XAQOBEBJFXGVHE-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
Cc1ccc(C)c(NCC23CCC(CC2)CC3)c1	2065300436	MQXGARUQCYHKHQ-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CC1(C)CCC(CN)(CC23CCC(CC2)C3)CC1	2065338112	QQOKWWGYTLFRSM-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CC[C@H]1NC1CCC2(CCCCCC2)CC1	2065891860	DTUZVVMJJBYJBP-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@H]1CC)C1=CC[C@H](CC)CC1	2071509609	CVHGSHCWFNDKET-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)C[C@@H]1CC=CCC1	2072089764	FBQBNZQSQNFLBQ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)C[C@H]2CC[C@H](C)CC2)c1	2072670282	XEIKRIMCSVHUDC-NUTKFTJISA-N	246.394	4.553	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H]2CC[C@H](C)CC2)c(C)c1	2072800161	BBZDYKYLHHAOHX-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@@]23CCCC[C@H]2C3)C1	2074114281	QWACQSFJGDOOIC-CLBVLKOUSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(N2CCC[C@@]3(C)CCC[C@@H]23)CC1	2074863173	DAPZUDHSULLMGW-BHUNQDJPSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@@H](C)c1ccccc1	2074897929	ZBFHPEAAOLFNHZ-UXLLHSPISA-N	245.410	4.648	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2C[C@H]2C2CC2)cc1	2079253873	AYWJNBRPYKTBIU-NUTKFTJISA-N	243.394	4.658	0	10	BJAE	
CCC1CC(C[C@@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2085000006	YWWAQPWZLHQVKG-GRAKBVBRSA-N	249.442	4.501	0	10	BJAE	
F[C@H]1CCCC[C@@H]1C/C=C/c1ccccc1	2210666675	HLHBNKHEWQIERQ-SIEMXDPISA-N	218.315	4.618	0	10	BJAE	
C/C=C/CCCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2213284525	IVFVEOWQHLZWEJ-SZZVUECUSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213290778	UTKUKUDLUHNBGH-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H]1NCCCCCCC1CC1	2213575386	FQEWLYZLPSNGGX-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
C[C@]1(O)CCCC[C@@H]1CCCCCCC1CC1	2213576169	NJRAYESRLVCDQT-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CC[C@H](CCCCCCC2CC2)[C@@H](C)N1	2213576299	OMJRXYVVOQKVBC-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CC1(C)C[C@@]1(C)[C@H](O)CCCCCCC1CC1	2213581489	XBOPCVFJIDAHJM-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@H](NCC)c1scc(C)c1C	2213651846	SLPKJQIRJVLCFX-AWEZNQCLSA-N	249.423	4.538	0	10	BJAE	
CC1(C)CCC([C@@H](N)CCCCC2CC2)CC1	2214584513	RNRFNPDMTHMHJS-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CC[C@@H]1C[C@@H]1C)CNC(C)(C)C	2215257008	VTUDKSJPLJFBEA-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCCSc1ccccc1NCC[C@H]1C[C@@H]1C	2215314053	RLSGZKUDISITQS-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CC(C)(C)CCCC(=O)C1(C)CC2(CCC2)C1	2215385091	MOFRRHNTMNNSJZ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)CC1(C)CC(C)(C)C1	2215395910	NPKQGKWVENEOHY-CHWSQXEVSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC1(C)CC(C)(C)C1	2215400894	KXZXDRMNVZNJNM-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)c2cc(C)sc2C)CC1	2215820534	FWVTVXFZOCNOSO-OAHLLOKOSA-N	248.391	4.684	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCCCC(F)F)NC	2216458943	UIYKVDDASYVWOW-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)[C@@H](C)NCCCCCCCC1CC1	2216884174	SGWNLHWPIRQBBX-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@@H]1CC[C@@H](C)C1	2217125400	PFPBIFWFNGRITO-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CN[C@@H](C)CC)C[C@H](C)CC(C)(C)C	2217148891	ROBNUNOAOUVRAS-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)C[C@](C)(CNC1CCC1)C(C)C	2217156756	NKSSNAVXCXUMAK-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)CC(C)(C)CC2(CC2)C1	2220877151	NMTBRJHHKWJGSG-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@@H]1CCN1CCCC12CCCCCC2	2220984083	GRYLITUFVZRFDV-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC=CCCC[C@H](NCC)C1(C)CC2(CCC2)C1	2221004345	PZBOXNHXBFOWQV-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)(NCCC2CCCCCC2)CC1	2221602778	SPRUDHGGJLZFTQ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)[C@H](C)c1ccccc1	2224172227	VHZBYFWASWDNLT-UXLLHSPISA-N	247.426	4.595	0	10	BJAE	
CCC(CC)CC(=O)CCCC[C@H]1C[C@@H]1C	2243053725	WSVQBSDHORTCPM-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)CC(=O)CC[C@@H]1CCCCC12CC2	2246605339	DIAZMKYMKYKWBS-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC[C@@H](O)C2CCCC2)C1	2246670729	WJQVYUQIMJLFEG-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](C)NCC1CC2(CCCC2)C1	2246787414	KSWODQPSNKNFQN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H]1Cn1ccc2cccc(Cl)c21	2247397745	IEJRIWDGQGKTCD-LBPRGKRZSA-N	247.769	4.731	0	10	BJAE	
CCCC[C@H](CC)NCC[C@H]1CCCC12CC2	2247603961	YCNGIYANIUIWFJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1cc(-c2ccccc2O)cc2ccsc12	2248555344	JCLAMVXKVOZFHJ-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCC(C)(C)CCNCCCCC[C@H]1C[C@H]1C	2248868429	BEOUULRZGVATLT-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)N(C)CC[C@H](C)CCCC(C)C	2250466969	MBTXDEPNDBVYAR-CVEARBPZSA-N	241.463	4.959	0	10	BJAE	
CCCCCCC(=O)C[C@@]12CCCC[C@@H]1CC2	2251154704	QSMZYIAJXQGAOT-ZBFHGGJFSA-N	236.399	4.886	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@]12CCCC[C@@H]1CC2	2251164312	WJHZFVNVKOSNED-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC1CC(C)C1)CC(C)(C)C	2251756124	XSNQVTMIMLMEPF-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
NC[C@@H]1CCC[C@H](CC[C@H]2CCCCC23CC3)C1	2253886234	JSVXLPPZCGQTEI-BZUAXINKSA-N	249.442	4.502	0	10	BJAE	
C[C@H](CC[C@@H]1CCCCC12CC2)[C@H]1CC[C@@H](N)C1	2253889244	KEIJMPDGQSULRD-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](NCC[C@H]1CCCCC12CC2)C1CC1	2253891686	XTBRLAOWMPZZRG-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@H]2C[C@H]2C)cc1C	2254612137	URMLHFKSKQSLCM-CABCVRRESA-N	244.378	4.703	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](N)(C[C@@H]2CCC2(C)C)C1	2255009743	PURDMDYLZIGDDH-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
C1=C(CN2CCCCC23CCCCC3)CCCC1	2255057841	LBYBVOKDBJZJKJ-UHFFFAOYSA-N	247.426	4.676	0	10	BJAE	
CC(C)(C)c1ccc(NCC2=CCCCC2)cc1	2255092234	SEYYXHCIMJTVSK-UHFFFAOYSA-N	243.394	4.896	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CCCC23CC3)CCCCC1	2255340432	ZULGENKCSLSTFK-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CCCCCC(C)(C)CNC1C[C@H]2C=C[C@H](C1)C2	2257937995	AQKBCYAVPWFZJG-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@@]12CCC[C@H]1CC2	2260600635	HAVKNQQCXVFUAV-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](C[C@@H]2C=CCCC2)C1=O	2261444689	SGYJGZNYKLYKLX-ZIAGYGMSSA-N	248.410	4.764	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCC[C@@H]1C[C@H]1C	2297876668	QADKLPBXIALFRR-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@@H](C)CC1CCC1	2298867444	FQRIPSALTIAUAY-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@@H]1Nc1cc(C2CC2)ccc1Cl	2300672281	TWCLIXFYTQIUDP-HZMBPMFUSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CC[C@](C)(CNC1CC1)C(C)C	2300675555	GJIQEIPNUTXPTK-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1C(C)=CCC[C@H]1C	2300684683	WVRTVHYMEIWUID-KBMXLJTQSA-N	237.431	4.523	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CCC(CC)CC)[C@@H]1C	2300687788	GMEHSLNFNGQCKD-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@@H](C)[C@H](C)C(C)C)cc(C)c1C	2301835698	HVVLTFPUVQZNLG-HIFRSBDPSA-N	233.399	4.704	0	10	BJAE	
CCC(CC)c1cccc(OCC(F)(F)F)c1	2302229943	AQCUJMMOWPKHMB-UHFFFAOYSA-N	246.272	4.531	0	10	BJAE	
O[C@@H]1C=C(CCCC2=CCCCC2)CCCC1	2302342910	OJWBSJFGYSGMLH-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)CCC2CCCC2)C1	2302675864	PJQCZYABSWNYND-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CCNC(C)(C)C)C[C@@H]1CCC(C)(C)C1	2302759974	DFWFFZBZKDHEFL-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC[C@@H]1C[C@H]1CC)NC	2303587817	OVHNMPFHSISWCS-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](CC1CC1)C1CC1	2303738123	MVFJEAVYPAVMTF-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCCC[C@@H]2O)C1	2304432092	RBAWOEUAJMWOQU-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@@H]1C[C@H]1C1CCCCC1	2311537263	NFYAUNDRZVJUNU-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NC(CC2CC2)CC2CC2)cc1C	2313595053	WDCQGEZPGVOIRF-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2313599562	KXRQYSRMVQMCPS-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)Oc1ccccc1C(C)(C)C	2313664066	FJTPINVRPNUZNG-ZDUSSCGKSA-N	246.394	4.942	0	10	BJAE	
CC(C)=CC(N)(C1CCCCC1)C1CCCCC1	2316367151	KWRYCKMFJWQVHI-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
O=C(CC1CCCCCC1)[C@]12CCCC[C@H]1CC2	2317005679	YJGJQGYSQDJTKB-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CCC[C@@H](N)CCCC(C)(C)Cc1ccccc1	2317284940	HAUOAURTCHZSEQ-MRXNPFEDSA-N	247.426	4.553	0	10	BJAE	
CCc1ccc([C@H](C)N[C@H](C)[C@H](C)C(C)C)cc1	2317663500	HEWUAJJYRJEWGZ-KFWWJZLASA-N	247.426	4.580	0	10	BJAE	
CC(C)(C)C1(NCCCC2=CCCCC2)CCC1	2318541731	VCQVJAJLJBYHNH-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)[C@H]2CC23CCCCC3)C1	2319112946	JMJYDVSGUQOJQX-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@]12CCC[C@H]1CC2	2320228390	KBYQPPHSNBVEJY-OEUWWYETSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H]2CCCC(C)(C)CC2)CC1	2320237814	OBTHUXCTCXETOE-CVEARBPZSA-N	249.442	4.824	0	10	BJAE	
CCCCC1CC(N)(C[C@@H]2CCC(C)=C(C)C2)C1	2320335507	WJTKIBKMABAJPZ-KLAILNCOSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	2320384907	IGNVJHYKQSNNDX-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1NC[C@H]1CCC(C)=C(C)C1	2320413340	SCBBSTXDSHQKMW-HNNXBMFYSA-N	243.394	4.797	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@](N)(CC2CC2)C2CC2)C1	2320615901	CHUWQSUIVMWODA-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CC(=CC=C1CN[C@H](C(C)C)C1)CCCC(C)C	2321506315	ZJRIGZKHMUAHIY-KRWDZBQOSA-N	249.442	4.703	0	10	BJAE	
CC(C)c1cccc(NC(C2CC2)C2CC2)c1F	2327811831	PIDWEASKWDNLTO-UHFFFAOYSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)c1cccc(C)c1C	2328283261	VYVYMMVKWRNUFZ-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1ccc(C(C)(C)C)cc1	20554330	ALISYGXQUFNRFS-BBRMVZONSA-N	245.410	4.975	0	10	BJAE	
CC(C)c1ccccc1-c1ccc([C@H](C)N)s1	36927661	PBOMTDDHEYHYFG-NSHDSACASA-N	245.391	4.558	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccc([C@@H](C)CC)cc1	36940769	ZYXMBRWPFXTTFA-STQMWFEESA-N	232.367	4.819	0	10	BJAE	
CCCOc1cccc(NC2CCCCCC2)c1	36995420	SNCZCFGOKKIZKY-UHFFFAOYSA-N	247.382	4.610	0	10	BJAE	
CCCC[C@H](NCC)c1ccc(C(C)C)cc1	37506483	LRYUBDKFMUTOMS-INIZCTEOSA-N	233.399	4.651	0	10	BJAE	
CCSc1ccccc1NC[C@H]1CC=CCC1	37779433	BVNCNCFRPXTYAZ-ZDUSSCGKSA-N	247.407	4.567	0	10	BJAE	
CCCCN(C[C@@H](C)CCC)c1ccccc1	59621339	MJJDEORRWYUZJK-HNNXBMFYSA-N	233.399	4.729	0	10	BJAE	
C[C@H]1CC[C@@H](C(C)(C)C2CCCCC2)C(=O)C1	69405924	UTINABBQZYQQAJ-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCCCCCNc1cc(C)nc2ccccc12	70468378	VCAIRWSCIIBHAQ-UHFFFAOYSA-N	242.366	4.535	0	10	BJAE	
Cc1cc(C(=O)C[C@H](C)C(C)(C)C)c(C)s1	82628094	XIBWBVUYVHRNMG-VIFPVBQESA-N	238.396	4.620	0	10	BJAE	
C[C@H]1CC[C@H](Oc2ccccc2Cl)C[C@@H]1C	85149863	VMPLLTNULAVZKW-SRVKXCTJSA-N	238.758	4.544	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)c2ccc(C)c(C)c2)C1	87988503	OTJNZGCJFGTJHW-VYDXJSESSA-N	245.410	4.520	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H](C)c1ccccc1	90524516	REZKCEONLRACGM-LBPRGKRZSA-N	245.753	4.822	0	10	BJAE	
CCCCCCC(=O)c1ccc2c(c1)CCCC2	97467588	QQICKBFVMJOKBO-UHFFFAOYSA-N	244.378	4.719	0	10	BJAE	
CCCCc1ccc([C@@H](C(=O)CC)C(C)C)cc1	107478849	ALVRZZDLMOYMNI-KRWDZBQOSA-N	246.394	4.748	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](CC(C)C)c1ccccc1	109944810	WCSAYJQZXLHDSX-SJORKVTESA-N	247.426	4.942	0	10	BJAE	
CCCN[C@H](CC(CC)CC)c1ccccc1	148234107	ZNDBHCLJKPFSRN-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)CC1=CCCCC1	161332048	GCGNVWXUFLYCHW-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C1(CC)CCCC1	166884815	FJICNMXBKVDBMY-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
C/C=C\c1ccccc1Oc1ccnc(Cl)c1	215634370	FSZKNKZWIGRMDU-DJWKRKHSSA-N	245.709	4.560	0	10	BJAE	
c1ccc([C@@H]2O[C@H]3CCCCCC[C@@H]3S2)cc1	215763649	VYPDVTOQVKFMNA-SOUVJXGZSA-N	248.391	4.540	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@@H](N)c1ccccc1	229072184	DVEHPLZSHMDCRF-YQQAZPJKSA-N	247.426	4.929	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@H]1CCC[C@@H](CC)C1	229481952	LJVJPPCDOOVUIZ-KBMXLJTQSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1ccc([C@H](C)NCC2(C)CCC2)cc1	232745712	XATMKBZUBBQPTR-AWEZNQCLSA-N	245.410	4.651	0	10	BJAE	
CCCCC[C@H](NCCC)c1ccc(Cl)o1	232964445	FLGGQXWASALGDC-NSHDSACASA-N	243.778	4.554	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2cccc(C)c2C)C1	235406974	QUFPGOCRJAOCTK-BLLLJJGKSA-N	243.394	4.708	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)C[C@@H]2C)c(C)c1	235588491	SLHSOBNAPTZVRM-DZGCQCFKSA-N	231.383	4.540	0	10	BJAE	
C[C@@H]1CC[C@H](NC(C)(C)CC(C)(C)C)C[C@H]1C	251938482	VWKAJZGDFIBQMF-MCIONIFRSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1	253183987	GZIFXBIQVMZXAZ-ZQDZILKHSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCc2cc(N)ccc21	302668258	ZZLZQOLPBBHKEE-KBPBESRZSA-N	245.410	4.905	0	10	BJAE	
CCc1ccc(CC)c2c(Cl)csc12	307081528	GXOXXJOJODBCOA-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
Cc1cc2ccsc2c(Cl)c1Cl	307396568	SBLPRWJZEQWGJV-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
C[C@H](CCNC(C)(C)C)CCC1CCCCC1	310069963	UAHHDVGKLIVHAD-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(CNCC)([C@@H](C)CC)CC1	317042351	BPEFLLKCHBBTSA-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)CC1(CNC(C)C)CCC(C)CC1	317485182	FAQSGVVSHWWVMI-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CNC1CC1)CC1CCCC1	317700061	BMCBDMLVZYCQPN-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]([C@@H](C)[C@H](C)CC)C(C)(C)C(C)(C)C	319500700	GIGWFKIEKTXGRA-HZSPNIEDSA-N	241.463	4.719	0	10	BJAE	
CCC(CC)(C(=O)[C@@H](C)C(C)C)c1ccccc1	320164914	YGTPNVMKDKKEHI-AWEZNQCLSA-N	246.394	4.606	0	10	BJAE	
CCC[C@H](N[C@H](CC)c1cccc(C)c1)C1CC1	324087348	IVNADAZUGRZKGZ-SJORKVTESA-N	245.410	4.614	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1N[C@@H]1CCCC12CCCC2	328273714	OBDLTRHOJKXGCW-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H](CCC1CCCC1)CNC(C)C	383161286	LDYSMYYSAVZODH-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC1(c2ccc(F)cc2Cl)CCCCC1	383514668	GTNJZMGEZFHVJZ-UHFFFAOYSA-N	226.722	4.701	0	10	BJAE	
CC[C@@](O)(c1ccc(C(C)(C)C)cc1)C(C)(C)C	395446669	VAHLWQCPZCWLHK-QGZVFWFLSA-N	248.410	4.628	0	10	BJAE	
CCc1cc(C(F)(F)F)c2c(C)csc2c1	396311727	XCOICBIAVMNEPX-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
C[C@H](CN[C@H]1CCCCC12CCCC2)C1CCC1	398937380	ULXJRKOBEQYAKY-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@H](C)C(C)(C)C	399057762	BSLSWNOCITXTPO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@H]1CCC(C)(C)C[C@@H]1CC1=CCCC1	400602490	CYTSLZRIUVZABY-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](O)CCC2CC2)cc1	400885385	ZECLNWTYPBUIDC-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1	403431134	UJXWCBZYUBIYQI-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCC1CC1)c1c(C)cccc1C	405872710	SPZZUBKEJQIDTJ-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1(C(C)C)CCC1	686928570	FXQWLFKWPWFUFE-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)[C@H](N)C1CC(C)(C)CC(C)(C)C1	688347392	WBHXEIWINBUHTF-JSGCOSHPSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1Nc1ccc(F)cc1	691099912	LBGQUTPTRYROBY-CVEARBPZSA-N	249.373	4.843	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1CC2(CCC2)C1	691982017	HQPNYSAQFVNOBB-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(NC2CCC(C3CCC3)CC2)cc1	695976666	RZVXIJFQPZLHON-UHFFFAOYSA-N	243.394	4.766	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](N)CCC(C)(C)CC	696595122	UECYTYWMZRRDNN-CVEARBPZSA-N	247.426	4.724	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C(C)(C)C1CCC1	697810675	POXMUWHGZIIMAR-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc2ccn([C@H]3CCCC[C@@H]3C)c2c1	704954098	VZPFIVLTDHZSDO-ZFWWWQNUSA-N	227.351	4.701	0	10	BJAE	
C[C@H](CC1CCCCC1)NCC[C@H]1CC=CCC1	706880300	KOOQJJPGYHJXAR-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCC[C@@H]1CC=CCC1	706959500	KAFYJZALSTWBTM-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)C)[C@@H](C)CC(C)(C)C	708302898	UCCLHRPTFZHSDB-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)C[C@H](C)CC(C)(C)C	709129901	NPIWTYHOEMMDNJ-MJBXVCDLSA-N	238.415	4.700	0	10	BJAE	
C[C@H](NC1CCC(C)(C)CC1)[C@@]12CCCC[C@@H]1C2	709155615	SYWBDNMMFYOVAE-VBQJREDUSA-N	249.442	4.514	0	10	BJAE	
CCCc1cccc(C(=O)[C@H](C)CC(C)C)c1	709217191	CQOTZWYPFARIDF-CYBMUJFWSA-N	232.367	4.504	0	10	BJAE	
Cc1ccc(OC[C@H]2CC3CCC2CC3)cc1C	709458686	GWSHPNWZXFKZSO-UYSNPLJNSA-N	244.378	4.509	0	10	BJAE	
Cc1cc(NCc2ccc(C3CC3)cc2)cs1	710706712	XRJVCGMYDOMWHA-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
C[C@H](C[C@@H](O)[C@@H]1CCCCC1(C)C)C(C)(C)C	710790474	YVNRQQYLNVQMLX-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](C[C@H](CC)C(C)(C)C)C(C)(C)CC	711185637	SZACUGLIDNGPAP-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)C(C)(C)C)C1CCC1	711185717	UVVORELSSNXYHC-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@](C)(CC)CNC(C)C	711276435	DNHRKDNUSFZUON-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CC(C)(C)C(C)C	713259378	SSUSHVPGDOUULZ-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC(C)(C)C)C1CCC(C)(C)CC1	713266106	SNLVUSAKQDWGIE-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCCc1nc(C(C)(C)C)cs1	713634228	OPQUQTXMOUPHDM-VOTSOKGWSA-N	235.396	4.506	0	10	BJAE	
C=C/C=C/CC[C@@H](NCC)C1CCC(CC)CC1	713749355	VMJWWZDJXYGWPS-HVDFMVDOSA-N	249.442	4.703	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H](C)C1CCC1	720986531	FYVYILIDTBUSPE-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1CC1(C)C	722896410	JUUWEJNTSAVSBX-CQSZACIVSA-N	232.367	4.543	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C1CCCC1)C1CC1	723959405	QXKLMGKVFUCKFX-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CCSc1ccccc1C	1458914739	FFJFFLRCYQJKBK-UHFFFAOYSA-N	222.397	4.913	0	10	BJAE	
CCC(CC)CN(CC)CC1CCCCCC1	1615119559	AZQSVMOOXYHHJU-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC(C)(C)SCc1ccc(F)cc1Cl	1775954367	LMUPHONTAZKQPY-UHFFFAOYSA-N	232.751	4.511	0	10	BJAE	
CC[C@@H](C)N(Cc1ccccc1)[C@H](C)C(C)(C)C	1880409587	QDZXDUOJJJUOKV-HUUCEWRRSA-N	247.426	4.722	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](C)CCCC(C)C	1900592514	CIJLMTYEMKACJJ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CCC(CC)CC	1900703013	LWUFDGDYJQAJIY-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CC[C@@H](CCC=C(C)CCCC(C)C)NC	1900867853	BVCPBLOJYJLJMJ-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CCCC(C)(C)C	1902190035	QEHFHCGBIXIGJR-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C[C@H](C)C(C)(C)C	1905448756	ZBFBZEPGYKNBML-MELADBBJSA-N	227.436	4.602	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906526540	BOBBRQBAFWMVHL-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(CN)CC3(CCCC3)C2)C1	1912585270	PKABTOHJZBLAED-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1CC2(CCCC2)C1	1912597895	XPRQATFTQJANAX-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@](O)(CC)c1ccccc1C1(C)CC1	1919479150	XFUOXTZMIBPHTH-QGZVFWFLSA-N	246.394	4.526	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CCC(C)(C)CC	1919939187	AEWKHDZBHCACLN-DZGCQCFKSA-N	228.420	4.780	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1CCC(F)(F)C1	1919973729	JCNXJXLVBBVYOC-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C12CCC(CC1)C2(C)C	1921428490	JSNDHNAGBKOBPJ-JZLYGMAVSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)[C@@H]1CCCC12CCC2	1921595094	LQVKGPQKZLXUTP-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)C)CCCC12CCC2	1921657544	PSIXIOHWILNNSH-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
OC1(C[C@H]2C=CCCCC2)CCC2(CCC2)CC1	1925912494	OOISMPLNSWRKPC-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](C[C@H]2C=CCCCC2)C1	1925943827	BMBLWDNKRVJKRD-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCCC[C@H]1CC	1926211100	AUUNERHIKMSFSL-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CCCCCC1CC1	1936427458	GOCZFGBXCRJECY-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC[C@@H](C)C(C)(C)C)NCC	1939109772	BUFPPOFVYGASBL-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)CCC1CCCC1	1940254954	BZSZELZDPXCJMX-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)CC(C)(C)C	1940866747	GHCQKXLCJBVWII-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)CCC(C)(C)C	1940869083	YQGRWMOMMHMZHG-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC1(C(=O)CCC[C@@H]2CC2(C)C)CCCC1	1940877190	PXCGEYVDTXHGHI-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@H](NCCC)C1(C)CC(C)(C)C1	1941986246	VMOMBCHTSHAURU-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](C)(CNCC(C)C)[C@@H](C)CCC(C)C	1942656210	LUGDDXJDHLEYNA-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CC(C)CC[C@@H](C)C(N)(CC(C)C)CC(C)C	1942658148	PEWDTPIHZAEULG-OAHLLOKOSA-N	241.463	4.848	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)([C@H]2CCC2(C)C)CC1	1945747930	KMDPGFVRZHCZQI-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)NC1CC(C2CCCC2)C1	1945944010	BQYXBNLQZFWKRS-PCKAHOCUSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(O)C[C@H](C)CC(C)(C)C	1947514952	JIPUHHDDSCOAMG-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
CC1CCC(CC2(O)CCCCCCC2)CC1	1947544721	BLCDQCJMUVFKIV-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CC(c2nc(-c3ccccc3)cs2)C1	1948370456	QUWKNUAETAJHDT-UHFFFAOYSA-N	243.375	4.714	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCC(C)=C(C)C)CC1	1949046688	HMWOROAOMSHVEU-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
CCNC[C@@]1([C@@H](C)CC)CCCC(C)(C)CC1	1950924443	YRGQYJACTWSBPF-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)C[C@@]1(CNC)CCC[C@@H](C)CC1	1950930621	QGNZRUXIWVVGKS-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CCCC(C)(C)C	1950968259	IAXMOMVREKMFIS-SOUVJXGZSA-N	237.431	4.523	0	10	BJAE	
C1CCC(CCCN[C@@H]2CC[C@@H]3CCCC[C@@H]32)C1	1965869641	FOUQTWJOFPRWRJ-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](Nc1ccc(F)cc1)C1CCCCC1	1968254448	HOTDWLLUCKIRHX-HNNXBMFYSA-N	235.346	4.597	0	10	BJAE	
CCC1CCC(CNc2ccc(C)cc2C)CC1	1968255387	WMXBSYVFXGZUKX-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
C[C@H](NCCC1CCCCC1)C1CC2(CCC2)C1	1968850119	YVAIWQFAIOZNMO-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC1CCC2(CC1)CC2	1970868844	WPVFSGLUVAKRAY-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)C1(C)CCC1	1981373170	ZNIKHBVMUICKRY-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1CC[C@H](C)CC1	1989837248	QJQBRIWDZRFRSW-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CC[C@@H](C)C1)C1CCCC1	1996269526	LLIYJGLDXMQBJQ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)C[C@H](C)C(C)(C)C)CC1	1997209475	XAJQESDQYNAHFW-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C=CCCC1)C1CCCCC1	1998381556	XPUZKNNPKHESLN-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](C[C@H]1CCC=CCCC1)C(C)(C)C	1999990484	KIHSSRYRBOCFEF-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](C)(CNCC)C[C@H]1C=CCCCC1	2000517798	HKLRAMCUZSRNCO-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
C[C@H](CN(C)[C@H](C)CC(C)(C)C)CC(C)(C)C	2000909835	RWWVPDHXNDMGAE-UONOGXRCSA-N	241.463	4.815	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)[C@@H]1CCC[C@@H](C)C1	2003012463	ADPLKRCRERMCEC-ZVDSWSACSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2003014014	AKRVVZSUHKAKMZ-AYDFFVQHSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H]1CCCCCCCC1=O	2003074024	KIVOTILBCLZZDQ-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CCCC(C)(C)CNC1CCCCCCCC1	2003092113	DFBVMOYDENUHSH-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CC1CCC(C[C@@H]2CCCCCC[C@H]2N)CC1	2003101381	WFEFFEPCVSNUDG-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(NCC2(C)CCCC2)CC1	2004342744	WBPINFIQCXHRCT-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(CNCCCC2CC2)CCCCCCC1	2004942608	VJGRTNFCZIGFRW-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](C[C@H]2CCC=CCCC2)C1	2006668691	GFZKTKAXKPIBPW-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
CCC1CC(CCC(=O)CC2CCCCC2)C1	2007773378	TXJAJXRLASNAKH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
O[C@@H](CC=C1CCCCC1)CC1CCCCC1	2007916523	GFUDQDQXUHZEBU-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
Cc1c(Cl)cccc1[C@H](N)C=C1CCCCC1	2007938628	ZTMYEPHHPBRUPN-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CC(F)(F)CCC[C@H]1CCC(C)(C)CCC1=O	2009403941	IUPCTKNVSXLAJI-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CCC[C@@H]2CC2(C)C)CC1	2009405465	ZFVVDUSHIRCPJJ-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H](NC)C1(C)CCC(C)CC1	2009588980	CBCVLPBUXPYBBF-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@]1(CNCC)CCCC1(C)C	2009620043	QWYCGMIEPLIOMA-BIENSFFJSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](CC)CC[C@H]1NCC	2009628624	NYOOLCHGGNVIOB-BKBYIFCJSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CCC[C@H](C)C1	2009636506	XGALJQHINXKTRC-VTTDZUNHSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(O)([C@@H]2CCC[C@H](C)C2)C1	2009715570	GWNUSQYSCTXSQY-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
C=C=CC[C@H](CCCCCC(C)C)NCCC	2009751598	GUQVIDAKWRWVKF-MRXNPFEDSA-N	237.431	4.692	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC[C@@]12CCC[C@H]1C2	2011011389	OGQCREKAMQGFCV-OFQRWUPVSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CCCNc1ccc(C(C)(F)F)cc1	2012747310	ARSOBCWEOPQYJX-UHFFFAOYSA-N	239.309	4.567	0	10	BJAE	
Cc1cc(C(=O)CC23CCC(CC2)CC3)cs1	2012806537	SIJSDHPETLUCIS-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CC[C@](O)(CCC(C)C)CCC1CCCCC1	2013269700	APEPDCMECZXNBV-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC(=O)c1cscc1-c1cc(C)c(C)cc1C	2013663628	XTECDXONUIDLHP-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CC=CCCC[C@]1(CNC(C)C)CCC1(C)C	2014845232	CVOHNRBSLCWAHA-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@@]1(CNC(C)(C)C)CCC1(C)C	2014846511	OCDWKDNBLKKKDB-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(N)CC1C[C@H]2CC[C@@H]2C1	2015235746	FDCFRAIZVDQAAA-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)C)C1CCCCCCC1	2015268744	FNQHXKBDMBVMEX-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CCCC(=O)C1CCCC1)C(C)C	2015386464	CQZWPHULHDXRCK-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCC1(C[C@]2(O)CC[C@H](C)[C@H](C)C2)CCC1	2015639004	BFNMJWVHNSLRIZ-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C[C@@H](N)CC2(C)CCCC2)CCC1	2017140793	KSTSCJGKLNAODP-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC)[C@@H](C)CC1CCC(CC)CC1	2017722558	QLQHNBZIIXQCEU-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@]2(C)CC[C@H](N)C2)CC1	2017732441	BAYNYEFUFUYUPQ-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@](C)(N)c1ccc2sccc2c1	2017795339	AAQRJRFNCWFOHM-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CCCN[C@H]1C[C@@H](C(C)(C)CC)C1(CC)CC	2017797498	KBNNXFUJYNGTPT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCCC[C@@H]1C	2018137982	BBDBUKCMSOBCPW-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CCC1(C[C@@H](O)[C@@H]2CCCC(C)(C)CC2)CC1	2018967389	KPUPNMITMIOJQC-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)CC1(CC)CC1	2018975803	QEEGGPMIWCOFRB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCN(CCC1=CCCCC1)[C@H](C)CC	2019341204	XHSZOXNUIWDRAU-OAHLLOKOSA-N	237.431	4.778	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCC(C)(C)[C@H]1NCC	2020361736	SADLZYDOSLKDNX-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1C[C@@H]1C1CCCC1	2022410797	BXENJBMRQBYRJX-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C(=O)[C@@]2(C)C=CCCC2)ccc1Cl	2022726802	FOBZFUNDGFKQRR-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
CCCC[C@H](CCC)NCCCCC(C)(F)F	2023298443	ADQKPJMAAKNPSL-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)CCC=Cc1ccccc1	2027000820	XXIJZHFWWKMUIV-HZPDHXFCSA-N	245.410	4.503	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CCC[C@@H]2CC2(C)C)c1	2027832330	KYURSPJJJJYUSG-ZBFHGGJFSA-N	245.410	4.520	0	10	BJAE	
Cc1ccc([C@@H](N)[C@@H](CC(C)C)C(C)C)cc1C	2028263518	MVJMXUUEWPWBTD-DLBZAZTESA-N	247.426	4.622	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)c1ccc(C(C)C)cc1	2028267077	YDPXITKINUDYNY-IAGOWNOFSA-N	247.426	4.882	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)c1ccc(C2CC2)cc1	2028596789	GGVXPRLGBSEDSJ-LBPRGKRZSA-N	244.378	4.819	0	10	BJAE	
CN[C@H](c1c(C)cccc1C)[C@@H](C)CCC(C)C	2029823167	GTSXUTDCDOYYPV-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
Cc1ccccc1C(=O)[C@@]12CCCC[C@@H]1CCC2	2031853283	VKFBQAAWARYHTA-RHSMWYFYSA-N	242.362	4.538	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(N)CCC2(CCC2)CC1	2032251279	JWFHZYOVNLSGRF-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@H](O)C(C)(C)C2CCCC2)c(C)c1	2032271951	KNLYXZQIHKEIQA-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]3C2)cc1	2034572188	OHWZZYMLCQSBER-UTXMOHQDSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CC[C@H](C)[C@H]1C(C)C	2035414363	WXRAGQHEMJLRNF-JGGQBBKZSA-N	249.373	4.617	0	10	BJAE	
CCC(CC)C[C@H](NC)c1cccc(C2CC2)c1	2036358092	KRVXINXRFWXKMJ-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
N[C@H](CCCC1CCC1)c1ccccc1C1CC1	2037140875	CLSCLFLMFRZQSH-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C[C@H](C)c1ccccc1	2037169950	ZFMDRPMXOAFOKA-RDJZCZTQSA-N	245.410	4.644	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)[C@H]1CCC2(CCCC2)C1	2037594777	TUKCVIOWNVZRGE-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@H]1CC12CCCCC2	2039004946	DTLUEKJPYKRPAQ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@H](N)[C@H]1CCCC(C)(C)CC1	2039375114	JCWBGCVFXCMPQH-GOEBONIOSA-N	245.410	4.601	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CC23CCC(CC2)C3)C1	2039422544	WFYCGJXHBFDVKZ-MVSUIGJRSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](NCC)C1CC2(C1)CC1(CCC1)C2	2039464834	YCENWIQTAFMHHK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CC[C@](C)(N)C12CCC(CC1)C2)C1CC1	2039847025	POJGEBXGWFJCLF-PWZRNIHTSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@H]1CC[C@@H](C)C1	2040173044	QLDXXZXZKWNPSX-KEYYUXOJSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1C[C@@H]1CN[C@H]1CCCC2(CCCCC2)C1	2040765435	QNMFMPBGYHGNPR-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)C[C@H]2C=CCCCC2)CC1	2041526267	BJGRKZJUYRJVQV-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC2CC3(CCC3)C2)C1	2045555709	LYROGBSOXWAFJL-WFASDCNBSA-N	246.394	4.518	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CCC(C)(C)C2CC2)C1	2045561209	DINHFRUEEJIBQG-OCCSQVGLSA-N	248.410	4.764	0	10	BJAE	
CCCC1(C(=O)c2ccccc2C2CC2)CCC1	2045568139	RFXCAFIEIZGUBC-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CN[C@H](CCCC(C)C)C[C@H](C)c1ccccc1	2045628075	ACPJEYUZHJHRAE-DOTOQJQBSA-N	247.426	4.595	0	10	BJAE	
CCCC1([C@@H](C[C@@H]2CC=CCC2)NCC)CCC1	2045800243	TWUBOHWWCKSGGD-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)C[C@H]1C=CCCC1	2045997081	HUNZNNIBFPUPED-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)C[C@@H]1CC12CCCCC2	2047006389	AKYAAWMGCXUCOR-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@@H]1CCC12CCC2	2047943119	PAOOKGONYOCKRW-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1[C@H]2CCCCC[C@H]21	2048364567	ZNFICSRVMVRFLJ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](N)c2ccoc2)CC1	2049635898	CCBMPAVBXPVZHD-DZKIICNBSA-N	249.398	4.666	0	10	BJAE	
CC(C)c1cccc([C@@H](N)CC2(C)CCCC2)c1	2049791408	DZNMQTGUALZMGV-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CC1)[C@]1(C)C=CCCC1	2050006164	LEVMKAVGZYAOPF-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@H](O)CCCC[C@H]2CC2(C)C)c1	2050429799	KRCRGWICWVHYSJ-JKSUJKDBSA-N	246.394	4.635	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@H]1CCCCC12CC2	2053405932	AYXIWFSDEJEGST-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](N[C@H]1C=C(C)CCC1)c1ccccc1	2055552454	PGQMUTVLQKFPKJ-IAGOWNOFSA-N	243.394	4.616	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1C[C@@H]2CCCC[C@H]21	2059225639	PDQYPILKUBWQFQ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1CCC1)CC[C@@]12CCC[C@@H]1C2	2061571719	MISGSDMISAHXKT-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@]23CCC[C@@H]2C3)CC1	2061618883	XIKMNPONUMKXHJ-WCXIOVBPSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1C(=O)CC1CC(=C2CCC2)C1	2061699138	IUVMPOWMYGPVLG-CABCVRRESA-N	246.394	4.518	0	10	BJAE	
CC1CCC2(CC1)CCN2CC1(C)CCCCC1	2062765141	KKNRWHMHJXTQGV-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC1(C(=O)CC2C[C@H]3CCC[C@@H]3C2)CCCC1	2063418068	JHXXYZKZOYGFHU-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC[C@H]1C[C@@H]2CCC[C@@H]2C1)CC1CCCC1	2063499497	BAEVIRSOWLPBMY-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC1CC1)C12CCCC1CCC2	2063830063	KTJBXJTZXYXJHR-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](NCC23CCC(CC2)CC3)CC1	2065263385	XWLOAPOQNINCKF-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
CN[C@H]1CCCC[C@H](CC23CCC(CC2)CC3)C1	2065340463	WKIJJMHYUZSDSH-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@H]1CCC1(C)C	2068247846	ZXRROSLRYRJLBS-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC[C@H]2C[C@@H]1C2	2069264623	CXXKJQIWWYGTBC-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
CCCC1(CC(=O)[C@@H](C)c2ccccc2)CCC1	2069267465	BJRGGURTXNFFJD-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C1(CC2CC2)CCC1	2069515527	YUWFUKCTPZDXPQ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC[C@@H]1CCCC(C)(C)CC1)C1CC=CC1	2070809073	WRYPYTGIRMVDDI-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2CC23CCC3)CC1	2072872423	BJMLYEIWPPEODJ-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cccc(N(C)C)c1	2073346037	KTUUYRSZOOVCRR-CQSZACIVSA-N	248.414	4.523	0	10	BJAE	
CCCC1(C[C@@H](N)c2ccccc2C2CC2)CC1	2074565891	FDPVEERJDPLESI-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCCCc1ccc(N[C@@H]2C=CCCCC2)cc1	2075361675	AUAYDORUZFFHIS-MRXNPFEDSA-N	243.394	4.940	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1C[C@H]2CC[C@H]1C21CC1	2078340725	RJULYFAJWYCHLW-KLHDSHLOSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@H]2C[C@@H]2C2CC2)CC1	2079324334	MYECDJMRUFIUSG-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C[C@@H]1CCCC(C)(C)C1)[C@H]1CC=CCC1	2082979259	MOHPZHIRINWKPZ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
F[C@@H]1CC[C@H](CC/C=C/c2ccccc2)C1	2210661949	HMKWDYBPAXOZGN-VSWCJUERSA-N	218.315	4.618	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCCCC1CC1	2211105478	PHGULNHIOUBWLR-AWEZNQCLSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C1CCCCCCC1	2215335028	VFZFQSMBUORWTF-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC1=CC[C@](C)([C@@H](O)C[C@@H](C)C(C)(C)C)CC1	2215815510	URUYTLIHBXSVSJ-YCPHGPKFSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@@H](C)CC)C(C)(C)CCC	2216280032	UVGMGPUBZTVWSL-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CC1(C[C@H](N)CCCCCCCC2CC2)CC1	2216876561	DWTUVILWTDOKBN-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC1(CCCC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218329558	CPFYJRVTVZCVTH-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1CCC2(CC2)C1	2218725040	KRRPTUYZPKUIOQ-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cc(N[C@@H](C)C2(C)CCCC2)ccn1	2220883590	SIECDZONTZSSRZ-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](O)C2=CCC(C)(C)CC2)CC1	2221613259	PRZWIHLRHXDDHR-DOTOQJQBSA-N	248.410	4.620	0	10	BJAE	
C[C@](N)(C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCC1	2222935814	ZLWVMNSNXNIXLZ-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc([C@@H](O)CC(C)(C)C)s1	2242604960	MLMXHQWGOZUWOB-LBPRGKRZSA-N	240.412	4.560	0	10	BJAE	
C1=C(Cc2csc3ccccc23)CCCC1	2243245200	JQGOPWBQOIURQD-UHFFFAOYSA-N	228.360	4.944	0	10	BJAE	
C=CC=CCCCc1ccc(CCC)cc1	2243547147	APLOWYZEDIDKCJ-UHFFFAOYSA-N	214.352	4.704	0	10	BJAE	
CC(=CC[C@H](C)CCCC(C)C)C(C)(C)N	2244844704	DTHWDZSCYXUQBZ-CYBMUJFWSA-N	225.420	4.523	0	10	BJAE	
CCC(C)(C)[C@H](CC[C@H]1CCC[C@H](C)C1)NC	2246725019	GMTLSPZKXKOLHT-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H]1CCCC[C@@H](C)c1cccc(N)c1	2247091637	JUHMMBLLWJMTHP-HZSPNIEDSA-N	231.383	4.589	0	10	BJAE	
CCCC(C)(C)[C@H](CC1=CCCCC1)NCC	2247508101	ZKQCHAVTUUCNSS-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C(C)(C)CCF	2248854300	OIFPQRDGZJVCFJ-QWHCGFSZSA-N	242.378	4.548	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1C[C@H]1C1CCCC1	2250353651	WTHMSUWYOWDLGS-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)CNC1CC(CC(C)(C)C)C1	2250380158	XOXXIZRBCZYYGG-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1CC[C@H](C)[C@H]1C	2250468823	IFOSFBJBIMHPJK-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CCCC1(NCC[C@H](C)CCCC(C)C)CC1	2250518308	HTOYTKVKPSGYJV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](NC)[C@]12CCCC[C@@H]1CC2	2251106978	TWLIMLGLEGWVIO-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(C[C@@]12CCCC[C@H]1CC2)C(C)(C)C	2251217311	QUQGKUPJSINEDZ-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)NCC1CC(CC(C)(C)C)C1	2251534782	KCVAZSZJJBVVBS-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CC1(CC[C@H](O)c2ccc3ccsc3c2)CC1	2253089484	KGXXBPXAOFWRHO-ZDUSSCGKSA-N	246.375	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2C[C@H]2C2CCC2)C1	2253930302	MKVRMXICENXAJA-LUYZLQTOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@]1(C[C@@H]2CCC23CCC3)CCCCCN1	2254960124	JTPHJUGMZJMXNK-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@]1(N)CCCC12CCCCC2	2255015929	UCEWQGVDSMBJAP-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2CCC23CCC3)CC1	2255016593	VGLCFEWVMFKJMU-UQPPLGOBSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@H]1CCCC12CC2	2255222050	CHCRMNILTBTLRD-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCn1ccc2ccccc21	2257310587	HPOUTEGUWGRKCA-GDBMZVCRSA-N	241.378	4.858	0	10	BJAE	
CCCN[C@H](C1=C[C@H]2CC[C@H]1C2)[C@@H](CC)CCC	2259453567	KGRWICAAABWOSC-JKQORVJESA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NCC2CC3(CC(C)C3)C2)c(C)c1	2259573601	HXIUWLVXCGBGNH-UHFFFAOYSA-N	243.394	4.542	0	10	BJAE	
CCCC1(C[C@H](NC)[C@]23CCCC[C@@H]2CC3)CC1	2260491588	PRRUBVFECXNMLC-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1NC[C@@]12CCCC[C@H]1CC2	2260577912	IPBUERVNPCZHOP-RDJZCZTQSA-N	243.394	4.686	0	10	BJAE	
CCN[C@H](C[C@]12CCC[C@H]1CC2)C1(CC)CCC1	2260598274	AHDXSSFBXXIRBS-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC([C@H](N)C[C@H]2CC=CCC2)C1	2261191044	OPRAIPDTQWKBJK-SLTXQBBLSA-N	249.442	4.523	0	10	BJAE	
CCCCC[C@@H](C[C@@]12CCC[C@@H]1CC2)NCC	2298707466	SXPSQWHDKNATDS-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CC(=CC[C@H](N)[C@H]1CC1(C)C)CCCC(C)C	2300877313	PNXUXKSOSKSFIF-CABCVRRESA-N	237.431	4.523	0	10	BJAE	
CCc1sc(-c2ccccc2C)nc1C1CC1	2301187599	BXMUKZHJQXVXFM-UHFFFAOYSA-N	243.375	4.558	0	10	BJAE	
CCCNC[C@H](CCC)CC1CCCCCC1	2301244519	NAFOOJASKQBDTO-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H](C)CSc1ccc(C=O)c(C2CC2)c1	2301285681	SKIRXJBYBHHEPU-LLVKDONJSA-N	248.391	4.515	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@H](C)[C@H](C)C(C)C	2301968520	RKRHGEJQBBYWLL-HUUCEWRRSA-N	241.463	4.814	0	10	BJAE	
CC(C)CCCc1cccc(OC(F)(F)F)c1	2302231177	PIRCYDSVWYJWPP-UHFFFAOYSA-N	246.272	4.564	0	10	BJAE	
C[C@H]1CCC[C@H](CCCC2=CCCCC2)C1=O	2302301483	SLSOFWJILVQPMX-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CC(C)CCC[C@@H](N)CCCC1=CCCCC1	2302348956	JWKUVDDPTKVHJU-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC(C)=C(C)C1	2303579510	OENXKBNPNHGPDF-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CCC2CCC2)CC1	2303585297	VGYNOIZIBBQOEX-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
CCCCC[C@H](C)Nc1cc(F)cc(CC)c1	2304016316	GHADVDZPLUGDBH-LBPRGKRZSA-N	237.362	4.769	0	10	BJAE	
CC(C)[C@H]1C[C@H]1c1cc(=S)c2ccccc2[nH]1	2304031356	XCRNRFHMTDBUFG-VXGBXAGGSA-N	243.375	4.657	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(N)CC[C@@H]1CCC(C)(C)C1	2304408325	MMWYYWSMWSGRPP-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](C)CC[C@H]1NCC	2307897323	ARSCBTFJRQJCFA-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)C1[C@@H](C)[C@@H]1C	2310130280	OVHCDYPRXGCOLB-DZKIICNBSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@](N)(C[C@@]23CCCC[C@@H]2CC3)CC1	2313352939	FMDXOQAXUKBUTP-VVLHAWIVSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](NC(CC1CC1)CC1CC1)C1CCC1	2313584337	PGICMIDHEQAUQM-KRWDZBQOSA-N	249.442	4.514	0	10	BJAE	
CC(C)(CCC(N)(CC1CC1)CC1CC1)C1CC1	2315434323	VCXGRFRGYLSGNN-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H](CC)c1ccccc1	2316239196	PWPTYQVLJBXEGT-DLBZAZTESA-N	247.426	4.724	0	10	BJAE	
CCC(CC)CC[C@](C)(N)c1cc(C)ccc1C	2316271686	TUSNZTOFJLOBOZ-KRWDZBQOSA-N	247.426	4.694	0	10	BJAE	
N[C@@]1(CC2CCCCCC2)CCCCCC12CC2	2316886163	PMISUFVMIGJARG-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
Fc1ccc(CC[C@@H]2C=CCCC2)c(C2CC2)c1	2317068971	OBFZZJRMUBQGRU-CYBMUJFWSA-N	244.353	4.992	0	10	BJAE	
C[C@@H]1[C@@H](Nc2ccc(C3(C)CC3)cc2)CC1(C)C	2318197712	PBPJGTCNEMJZLL-DOMZBBRYSA-N	243.394	4.585	0	10	BJAE	
O=C(CCCCC1CC1)C[C@@H]1C[C@H]1C1CCCC1	2318873711	RQWXEPDTYGKGOC-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)(C)C1)[C@H]1C=CCCC1	2319310979	ACZXEJRYUFPWHK-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)CC[C@H]2CC[C@@H]2C2CC2)CCCCC1	2319735465	XGGNLYURFSWQAB-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@](N)([C@@H]2CCC3(CCCC3)C2)CC1	2320264726	ARMREIKFEBDKLG-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@H]2CCC(C)(C)C2)CC1	2320340783	OQJFSGCLABKDDH-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@@H]2CC[C@@H]2C(C)(C)C)CC1	2320394107	MHYUMYWZBMBHDF-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C1=CCCC1)c1cccc(C(C)C)c1	2320513146	HRNBFJSPKHSHPM-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](CC2CC2)C2CC2)CC1	2320514852	OLYDOMWPFRYYNH-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@@H](CC1CC1)C1CC1)C1CCCCCC1	2320696221	KUHIXWXFXQBGLZ-DYVFJYSZSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(F)cc(NCCCCCC2CC2)c1	2321077324	QSKLDDCBGZHIMO-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(C)c(C)c1	21816128	JHPWYJWQXSOSPM-SWLSCSKDSA-N	233.399	4.930	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](CCC(C)C)NC)cc1	35469064	VPCHZQIVPWLNAN-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
CCN[C@@H](CC(C)C)c1ccc(C(C)C)cc1	36820017	OVYFLSTYWBUPLI-INIZCTEOSA-N	233.399	4.507	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@@H](C)CC(C)(C)C)c(C)c1	36889563	QSPNHLQUXZBDEO-CJNGLKHVSA-N	247.426	4.766	0	10	BJAE	
CCCC[C@H](CC)NCC[C@H]1CCC[C@H](C)C1	70538308	IUNVJOGFKROOBV-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(O)CCCC(C)(C)CC1	83520652	UJIJCFUCURWOLT-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](N[C@H]1CCCC(C)(C)CC1)C1CCCC1	86909430	MKAXLBNFKDLJFO-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)C1CCCCC1	104011080	WOPQLEMQXNBPAP-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](C)Nc1ccc(C)c(C(F)(F)F)c1	109940687	INAOZJOCMFPISK-SNVBAGLBSA-N	245.288	4.614	0	10	BJAE	
CCCC[C@H](CC)CC1(CNCC)CCCC1	110201363	NEQRLPWXWKMCPE-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCC)C1=CCCCC1	110228785	QPGFTVCSVQWYDJ-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)CC(CC)CC	128391926	TUNZARMMFLQSNW-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)(c1ccccc1)c1nc(C)cs1	131819457	AFVZHHIFCFJJFV-UHFFFAOYSA-N	245.391	4.558	0	10	BJAE	
Cc1cc(-c2ccc(C3CCC3)cc2)ccc1O	133626914	KCQJYZARUGUGNU-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
CCCC[C@H]1CCCCCCc2cc1c[nH]2	136894190	MWNUYJYLSHPECH-ZDUSSCGKSA-N	219.372	4.795	0	10	BJAE	
CCCN[C@@H](CCC1CCCCC1)CC(C)C	149627081	WMWDQXKNKQDKBA-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C2CCCCCCC2)c1	158968693	BPTBIBBQGASVIT-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CC1(C)[C@@H](N)[C@H]2CCCCCCCCCC[C@H]21	162370041	BHBKEEGVZJMMPA-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC[C@H]1CC	163858288	JBHOMCLXKYFZEZ-UKRRQHHQSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2c(C)oc(C)c2C)C1	166315901	MYGXCQZOZDHKHW-ZIAGYGMSSA-N	248.366	4.604	0	10	BJAE	
CCC(CC)C[C@H](O)c1c(C)oc2ccccc12	167671535	WRHAAVLWRNOXAG-AWEZNQCLSA-N	246.350	4.601	0	10	BJAE	
Cc1c(Cl)cccc1[C@H](O)CCCC(C)C	220578861	BILCZGHQKAJTHQ-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)[C@@H]2CCCCC2(C)C)c1	226654473	NFBROEHPCRDGEH-JKSUJKDBSA-N	246.394	4.553	0	10	BJAE	
CCCNCC/C=C(\C)[C@@H]1CCC[C@@H](CC)C1	227059840	FCFDJCWQBPAEBD-RCVIBLRSSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@H](C)NCCCCc1ccccc1	228437817	UAVJCWTZBRFBQM-INIZCTEOSA-N	247.426	4.568	0	10	BJAE	
Cc1ccc([C@@H](N)C2=CCCCCCC2)c(C)c1	235894084	JMAFHPOHPSODQS-KRWDZBQOSA-N	243.394	4.584	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)[C@H](C)C(C)C)cc1	251326452	HWFGLJSZQOMNRZ-VBQJREDUSA-N	247.426	4.753	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	251742996	GINYFYJRKXBWSL-ARKGTOAJSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCC[C@@H](c2cccc(C(C)(C)O)c2)C1	258348990	NRCWUTBHJODXCB-CQSZACIVSA-N	246.394	4.598	0	10	BJAE	
CC(C)Sc1ccc(C(F)(F)C(C)C)cc1	258953445	FMRUUXRNIXFBHI-UHFFFAOYSA-N	244.350	4.935	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1CCCCCC1	300975304	SRDLWOWITVUUFO-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C2(CN)CCCCCCC2)C1	302485764	ICTHYBSYRVXGMY-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CC(C)(C)CCC(=O)c1cccc2ccsc12	304162951	YEAFMCJHPKKINS-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
Cc1cc(C)c([C@H](N)C[C@@H](C)CC(C)C)c(C)c1	305912587	FZQUGIHRXKNXCR-BLLLJJGKSA-N	247.426	4.684	0	10	BJAE	
Fc1cc2sccc2c(C(F)F)c1Cl	306799400	FOMZTRBNJLMTJK-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C1=CCCCCCC1	308020775	JZGWSWOBMRVUTI-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CCCCCC(C)C	308056695	BYVKKUSDTWDEAG-HZPDHXFCSA-N	241.463	4.993	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NCC1(C)CCCCC1	308710085	MQHHTWJBDNEASX-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(N[C@@H]2C=CCCCCC2)c1C	310075631	TZDNSTXZLXJSKH-OAHLLOKOSA-N	229.367	4.604	0	10	BJAE	
CC[C@H](Nc1ccccc1F)c1cccc(C)c1	310715403	WEPUPEMVVFYZML-HNNXBMFYSA-N	243.325	4.697	0	10	BJAE	
CCCCC[C@@]1(CNC2CC2)CC[C@H](CC)C1	318241759	ZSQAXAOQHCCAQU-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCNCC1(CCC(C)C)CCCCCC1	318612318	NWHSNVJHUOZPEN-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@](O)(C1CCC1)[C@H]1CCC[C@H](CC)C1	322368598	IVZSVOMIWACZGV-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](C)CC(C)(C)CC/C=C/c1ccccc1	323923671	OMDARNHJSWTVSK-INDWDQIESA-N	245.410	4.504	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)c1cccc(Cl)c1	381496813	MSWRHCAJXGZHSG-UHFFFAOYSA-N	238.758	4.595	0	10	BJAE	
C[C@H](C[C@@H](O)CCC(C)(C)C)C1CCCCC1	384123305	HOURYNWZABQPMO-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)c1cocc1C	385314048	MHSKGSMIKUAINW-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
CCCCC[C@@H](O)c1ccc2sccc2c1	386615725	IVEMUYFTQPUNQJ-CYBMUJFWSA-N	234.364	4.515	0	10	BJAE	
CC(C)CC(C)(C)CN[C@H](C)C1CCCCC1	391222668	WVZMOAGSYXLBLI-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](NCCC2CCCCCC2)C1	394572231	MLTQQPSMYTXSCD-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CSc1ccc(N[C@H]2CCCC23CCC3)cc1	394756396	YFSGHTOLAIACBW-AWEZNQCLSA-N	247.407	4.543	0	10	BJAE	
CCc1c(C(F)F)cc2ccsc2c1C	396244408	NMHZHCRGVCDTSI-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1ccc2scc(C)c2c1C(F)(F)F	396308320	SBOHPCJEYVNUEK-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCN[C@@H](c1ccccc1C)[C@@H](C)C(C)(C)C	399179642	RIIAMEZUQWMPCV-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC(C)(C)C1CC1	405766584	JEWLSYHGUGBJRV-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCNc1nc2ccccc2s1	686310533	GRQCJNFKWTVBRS-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCC1([C@@H](O)c2cccc3ccsc23)CCC1	687584680	DWIOQTLJYCNHGJ-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(O)CC1CCCCC1	689731510	AXBSNPLCWADFKZ-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCC23CCCC3)cc1	694404998	STQQNRKEGZTOPF-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCC(C)(C)C[C@@H]1C	696676236	ANRASHYHYMPXTD-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCC(=O)[C@]1(C)CC[C@H](C)C1(C)C	699088121	TTWJRWATAZFDNT-BBRMVZONSA-N	238.415	4.844	0	10	BJAE	
CC/C(=C\[C@@H]1CC2CCC1CC2)CNC(C)(C)C	701073393	DCZTZXKRMAYNOW-PLMUEOEESA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](c1csc(C)c1)C(C)(CC)CC	701136376	QDAFJFIJKXNFSB-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)c1cc(C)cc(C)c1	704420790	BUVQUCKOBGIKAM-QGZVFWFLSA-N	247.426	4.694	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@@H](C)CC(C)C)cc1	704742235	RBFLXDJEMSTWAW-GRDNDAEWSA-N	248.410	4.916	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CCC1CCCCC1	704855690	RGSIDZFBLHYFAY-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCC(N)(CCC)C[C@@H](C)C1CCCCC1	704921944	NRZSGEPMHCPMRO-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C1CCC(C)(C)CC1	704936233	GKWHKNKKQRSZFA-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@H](C)CC(C)(C)C	709102921	NWCWHVAWXSYDTF-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@]23CCCC[C@@H]2C3)cc1	709113397	OGAYRSZEPMOFEJ-FRFSOERESA-N	243.394	4.630	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(O)C[C@H](C)CC(C)(C)C	709260814	PPXYVAFBQJROMI-WWGRRREGSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CC(=O)CSC(C)(C)C)CC(C)(C)C	709272518	LKEJVMPADSXRAO-LLVKDONJSA-N	244.444	4.550	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)C[C@@H](C)C(C)(C)C)CC1	710769542	IGZNUOGMLPANLI-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C[C@H](CCCC(C)C)NC)C(C)(C)C	711100388	YWYPZYOTFJIYJQ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)C[C@@H](C)C(C)(C)C	713077184	HSQYFZVGFUFGFZ-ZENOOKHLSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)C1C(C)(C)C1(C)C	713765033	UVQZJZRCHHYBLE-ATWMFIQVSA-N	249.442	4.559	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@H]1N[C@H](C)CC(C)(C)C	717436203	AVQUXBGGASRMOK-MJBXVCDLSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](CCC(C)=C(C)C)C1	718641957	AMGNCMPKHIYRRL-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
COc1ccc(CCCCC(C)=C(C)C)cc1	718649185	ULZNWOJHEPTVPJ-UHFFFAOYSA-N	232.367	4.764	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H]1CCCCCC1(C)C	719224573	UPZRGJBVRACZGL-CABCVRRESA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CC[C@@H]2CCC[C@@H]21	722043933	IIPKUNGVUUAMQI-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
c1ccc2sc(SCCCC3CC3)nc2c1	1640665764	ZNXOJZKGTPSKED-UHFFFAOYSA-N	249.404	4.579	0	10	BJAE	
CCC1(C)CCC(N[C@H](C)CC2CCC2)CC1	1659765697	BDBRQPPNWHJGBT-IUDNXUCKSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)[C@@H](C)C(C)C	1901506454	HNMGIZIJDSVTDS-SOUVJXGZSA-N	227.436	4.616	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCCC[C@@H]1C	1905451945	WNLHGTVSIOHXNE-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
C=CC=CCCC(=O)c1cccc(C(C)(C)C)c1	1911929807	ZYFONPJQDXHZBH-UHFFFAOYSA-N	242.362	4.689	0	10	BJAE	
C=CC=CCCc1ccc(F)c2ccccc12	1911966673	BNLOTXOBNOVFCL-UHFFFAOYSA-N	226.294	4.654	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@@H]1CCCCC1(C)C	1912130864	JGCBYRWQLRYEOB-JKSUJKDBSA-N	249.442	4.703	0	10	BJAE	
C[C@@H](N[C@@H]1CCC2(CCCCC2)C1)C(C)(C)C	1915854935	MJPOQOUJCCTRNV-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@H](C)CC(C)(C)C)[C@H](C)C1	1916086054	LBSFOCGNJSGTNL-IGQOVBAYSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C1CCCCCC1	1920188211	MGOGTVOFSFGUCT-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCc1cccc([C@@](N)(CC)C[C@@H](C)CC)c1	1920208531	UUKJFUBZPHLBKT-WMLDXEAASA-N	247.426	4.639	0	10	BJAE	
CCCC1CC([C@@H](O)CCC2CCCCC2)C1	1921180455	JMKDMPJLUGXLGM-GPANFISMSA-N	238.415	4.534	0	10	BJAE	
CCC1CC(CNC(C)(C)C)(C[C@@H](C)CC)C1	1921204432	XVNMYZBLKGDAML-HLIUYOAVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H]2CCCC23CCC3)C1	1921492869	XKIOMMVKPYUZFH-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NCC1(C[C@H]2C=CCCCC2)CCC1	1925756491	YTRFQNFFBZUQPA-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@@H]1C=CCCCC1	1925910557	OGGQEBYCKFNPSS-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H]1C=CCCCC1	1925919374	CZDSDUBTVMAEME-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1sccc1Cl	1933716079	CTKJSEAKKTXGMB-LLVKDONJSA-N	245.819	4.618	0	10	BJAE	
CCCCCC[C@H](O)CC1(C)CCCCC1	1935621974	BQZMYQYDMJPSLD-AWEZNQCLSA-N	226.404	4.678	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CCCC1CCC1	1936347738	GFSKLUNRYJFAKL-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)CC1(O)CCCCCCCCC1	1938719261	RRLIBMHIIADPIB-AWEZNQCLSA-N	226.404	4.678	0	10	BJAE	
CCCC(CCC)[C@H](N)CCC[C@H]1CC1(C)C	1940877274	PMTJLMYBJIVGNE-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CCC1CCCCC1)C1CCC(N)CC1	1940975281	BVUNJEIBLDPGRQ-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](CC1(C)CCCCC1)NC	1941267987	ZEONGKFGOWPRQA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCCCCC1CC1	1941573317	MPNNRXYKNHAROI-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
CCC1([C@@H](O)CCCCCC2CC2)CCCC1	1941573896	ULNSXXWTRQPFHX-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H](C)CCC(C)C)C1	1942651931	BRZVXEIDLZTCAG-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCCC1(C(=O)CC2C[C@@H](C)C[C@H](C)C2)CC1	1944198209	FJXSSLDWHSJFNC-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	1944198210	FJXSSLDWHSJFNC-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(CN)CCCC1(C)C	1944475064	HUVQJFOIKMLYKK-BBRMVZONSA-N	239.447	4.604	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H](O)C1(C)CCCCCC1	1944851277	BMUXMGZIGFNGOA-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(-c2csc3ccccc23)c(O)c1	1945618258	WACRJUAQUOKGCS-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccccc1SC	1947466427	YHTBDQSRNQVDQP-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCCC(F)(F)CC1	1948123320	YHYOIRQVKIKLFF-OLZOCXBDSA-N	247.373	4.513	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H]2CC2(C)C)CC1	1948994037	IKFYGRAAWDWMDX-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CCC1=CCCCC1	1949051539	OXQKZNRNZJNOIY-CVEARBPZSA-N	235.415	4.565	0	10	BJAE	
CC[C@H](NC1CC(CC)(CC)C1)C1CCCC1	1963179690	NZCRDCHMCKVTGA-HNNXBMFYSA-N	237.431	4.514	0	10	BJAE	
CCC1(CC)CCCN([C@H](C)CCC(C)C)C1	1963182536	UJIAOSXHPFQINU-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
Cc1cccc(NC2CCC3(CCC3)CC2)c1C	1968250165	JCJHMOVQEYFISC-UHFFFAOYSA-N	243.394	4.828	0	10	BJAE	
CCC1(CC)CC(Nc2cccc(SC)c2)C1	1968263320	YYHFFWPKHDSUOU-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CC(C)=CCC[C@](C)(N)[C@H](C)CCC(C)C	1988783688	VAYDULYHMJBDQA-CABCVRRESA-N	225.420	4.523	0	10	BJAE	
CCCCCc1ccc([C@H](N)CCCC)s1	1991770930	FHFCVXSYGSUGJC-CYBMUJFWSA-N	239.428	4.671	0	10	BJAE	
CC[C@H](C)Cc1coc2c(C)c(C)ccc12	1995462973	DNABMKWPMSEWRB-JTQLQIEISA-N	216.324	4.638	0	10	BJAE	
C[C@H](C[C@]1(O)CCCC2(CCC2)C1)C(C)(C)C	1997041337	AMZHYMHUELAVGF-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCN[C@@H]1CCCC2(CCC2)C1	1997044013	VVDBFMNGATZVPI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H](C)[C@H](C)CC)CC1	1997101257	XXSUDLUNMQHWRF-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@@H]1CC=CCC1	1997549733	CGZZBRKVASZPGH-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
Cc1cc([C@H](N)C[C@@H]2CCC=CCCC2)cs1	1999987956	LFSGZSQZHLWAMZ-UKRRQHHQSA-N	249.423	4.583	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)CC1=CCCC1	2000509442	PESPZSKWUJWOEQ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)C1CC(CC)C1	2002304560	LLHWESGVCYJKMQ-AVVWSFFYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2(C)CCCC2)C1	2002993618	MFKWXVSUVNQFTI-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC[C@H](O)CC1(C)CCCC1	2003175253	JMSGVTMSVINSIC-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
Cc1csc(C(=O)C[C@@H]2CCCC3(CC3)C2)c1	2003283955	CCIWBGFGGASQGG-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCC(=CC1(C)CC(C)(C)C1)CNC(C)(C)C	2003417977	SGCOTUJPAMCDSD-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC1=CCCCCC1)c1cccs1	2003686398	VDSWQWSKUDHTDU-AWEZNQCLSA-N	249.423	4.679	0	10	BJAE	
CCN[C@H]1C[C@@H](CCCC(C)C)C[C@@H](CC)C1	2006628726	COONRMGHEZAFRK-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](O)[C@H](CCCC2(C)CC2)CC1	2009421414	VGYWSTIOIXIWSU-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CC(NCC2CCCCCC2)C1	2009717817	OATNTWDEVWCCBU-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C=C=CC[C@@H](C[C@H](C)CC(C)(C)C)NCCC	2009744654	OAOSCQUWNXICQH-GJZGRUSLSA-N	237.431	4.548	0	10	BJAE	
CC[C@H]1CC=C(C2(N)CCCCCCC2)CC1	2010728089	CABLZQIURKNILX-AWEZNQCLSA-N	235.415	4.565	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1CC(=C2CC2)C1	2011048150	IQAOXZNSRAESIA-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@@H](CC)C[C@](CC)(CNC)C(C)C	2012420653	DENWDYHWFCIVGH-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CCC1(C)C	2014850426	VPRSORYMNWZWBJ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)[C@@H]1CCC1(C)C	2014906357	YUGQJYIGUFPRHX-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)[C@H]1CCC1(C)C	2014940504	WVYGSNOLYHOAGR-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cccc(C)c1C	2016144906	MGLHWMUQWFOFSP-CQSZACIVSA-N	231.383	4.850	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)C1(C(C)(C)C)CCC1	2017138239	HVAKQDXICNSGRP-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC1(C(C)(C)C)CCC1)NC	2017143248	LPTGYLRSRQHLOX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1(C[C@H]2CCCCC[C@H]2N)CCC1	2017146115	PNPNGTBTHNNAGH-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC1(CNCC(C)C)CCCC1	2017469867	VZJDYKRKWPSVMO-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(F)COc1cc(C(C)C)ccc1C	2017471198	WYJLMEHJPNKFEV-UHFFFAOYSA-N	236.330	4.761	0	10	BJAE	
CCC[C@](N)(CC)C[C@H]1CC[C@H](CCC)CC1	2017730616	JCHNHIKWWHCLPC-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCCC[C@H]2C)CC1	2017731615	UCWNVFRLDQYPMC-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1[C@H]2CCCCC[C@H]21	2018130447	OKOQWZYMNFEOCX-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@](N)(CCC(C)C)C2CC2)CC1	2018972259	CFWAFVUQOZULQV-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](NC)C(CC)(CC)CC)CC1	2019005807	IZQANKLKDWORPM-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@H](C)CC(C)(C)C	2019190715	NDGHUJZUZWDBBT-HUUCEWRRSA-N	241.463	4.959	0	10	BJAE	
CC(C)CCCCC[C@H](C)[C@H]1CC[C@H](N)CC1	2023548063	HGDFXEIFXUYAPF-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](O)C[C@H](C)CC1CC(C)(C)CC(C)(C)C1	2024120268	URDASXFRJMQMRH-QWHCGFSZSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@H](C(C)C)C2)CCC1	2025622587	VRJNCVXMZBITPL-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)[C@H]1CCC(C)(C)C1	2026148339	WLULOEIAQVQLOW-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)C=C1CCCCC1	2026168486	AHIBAGGTJAREJN-GDBMZVCRSA-N	237.431	4.811	0	10	BJAE	
CCCOc1cccc2c(C(C)(C)C)coc12	2026533905	RUFZBIOUGDKYQX-UHFFFAOYSA-N	232.323	4.519	0	10	BJAE	
c1cc(N[C@@H]2C[C@H]3CCC[C@H]32)cc(C2CCC2)c1	2027316853	NTLOMZMEMGUXHO-DJIMGWMZSA-N	241.378	4.555	0	10	BJAE	
C[C@H](C[C@H](N)c1ccc(C2CC2)cc1)C(C)(C)C	2028590145	GWCZTOSFSFLPJR-WBMJQRKESA-N	245.410	4.636	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C2(C)CC(C)(C)C2)cc1	2029107115	YUWOIZUDXSCPKA-OAHLLOKOSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)[C@@H](C)CCC(C)C	2029838112	REUMMUVVBHQUHM-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
C[C@H]1CNC2(CCCC2)[C@@H]1CC1CCCCCC1	2033534893	LOYNBABRLVTADD-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CNC2(CCCC2)[C@H]1CC1CCCCCC1	2033534895	LOYNBABRLVTADD-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2C[C@@H]3CCCC[C@H]3C2=O)C1	2034266130	WTHKIASBAQAUOL-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CCCCC1CCC(C(=O)C[C@@H]2C=CCC2)CC1	2035550977	BZPXSIXCZPDXPS-HWOWSKLDSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)C1=CCCCCCC1	2037074545	RMYUEFUODRUZIV-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@]1(N)CC1CCC=CCC1	2037206766	DTIZAXZBQGLCEZ-UAGQMJEPSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N)(CCCC1CC1)C2	2038896759	FYAUSKUCEZKAQL-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2039386188	PYQOXJSCNKBIPM-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CC12CCC(CC1)C2	2039417147	CMEVHXQPNMJSFD-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CCCC1)CC12CCC(CC1)C2	2039418410	SPMDQXUSUHWCIB-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H](C)c2ccoc2)CC1	2041374752	CWSSKGMYGMLFFK-ZNMIVQPWSA-N	249.398	4.537	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@]1(C)CC=CCC1	2042022835	WBCVQTNFVCEMCG-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H]1C=CCCC1	2043188118	RBISWNPQTQGVRS-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)C[C@H]1CCC=CCCC1	2045318225	SUDAWISIOZWELC-IKGGRYGDSA-N	249.442	4.668	0	10	BJAE	
CCC1CC([C@@H](C[C@@H]2CCC=CCCC2)NC)C1	2045329120	LJJCSDHSALBFHI-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC2CC3(CCC3)C2)C1	2045460365	NZGXLFCRHYMBJM-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCC1)C1(C)CCCCCC1	2045733778	VMASONZAVPZUBS-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N(C)C1CC2(CCCCC2)C1	2046329837	ZADVMXOUDAFGSX-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1CCN([C@@H]2CCC[C@@H](C)C2)c2ccccc21	2046581159	KMTMQPCDBNJGKI-QLFBSQMISA-N	243.394	4.579	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CC12CCCCC2)C1CCC1	2047058162	GZSFUJDDGGGKAR-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@H]1CCC12CCC2	2047931907	IZASHPYGEVUCPL-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@H]2CCC23CCC3)C1	2047961473	ITBCWSFRQQVAIU-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@H](C)[C@H]1CCCC(C)(C)C1)c1ccoc1	2049542811	HCQRHCYPTAECKO-MCIONIFRSA-N	249.398	4.535	0	10	BJAE	
O[C@]1(C[C@@H]2CCC=CCCC2)CCCCC12CC2	2053314993	JWECUGJCFXOPJW-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CNC[C@]1(CC2CCCC2)CCCCC12CCC2	2053356213	KSTDOVUVNJWYHP-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@@H]1CCCCC12CC2	2053410856	HDASLELZMRREIA-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)[C@@H]1CCCCC12CCC2	2053412271	OHPFYUQHRZURGT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@@H](Nc2ccc3ccccc3c2)CCC1	2055558314	OSNVZBLYZGFJSH-INIZCTEOSA-N	237.346	4.751	0	10	BJAE	
CC1=CCCC[C@@H]1NC1CC2(CCCCCC2)C1	2055668520	VLLGJLQIGSVPOL-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
CC(C)c1ccc(NCC2CC(C(C)C)C2)cc1	2056731000	OHRVUVFENBOZPM-UHFFFAOYSA-N	245.410	4.904	0	10	BJAE	
CCCCc1ccc(C(=O)C[C@H](C)C2CC2)cc1	2057356764	GODDSACRWKPDEI-ZDUSSCGKSA-N	244.378	4.648	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C2=CC[C@@H](C)CC2)CC1	2060912984	IJMMHARFBADPGJ-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC(C(=O)CC2CC(=C3CC3)C2)C[C@@H](C)C1	2061708172	ZUJBXBHHCRHTFJ-RYUDHWBXSA-N	246.394	4.518	0	10	BJAE	
C1CCCC(NCC[C@@H]2CCC[C@H]3C[C@H]23)CCC1	2062313790	IMRAIXSAJVNIGN-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCOc1ccccc1C(C)(C)C	2062617658	ATWDUWZABVSOAX-ZIAGYGMSSA-N	246.394	4.799	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCCC[C@@H]1C[C@H]1C	2062618222	DLORSWXPJZIWGY-GDBMZVCRSA-N	246.394	4.933	0	10	BJAE	
CCCCc1ccc(NCCC[C@H]2C[C@H]2C)cc1	2062652070	MULMHTIZJMRXPP-ZBFHGGJFSA-N	245.410	4.877	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@@H]2CCC[C@@H]2C1)CC1CCCC1	2063499499	BAEVIRSOWLPBMY-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1C[C@H](C[C@@H]2C=CCCC2)CC(C)(C)C1	2063644059	YFPCBWOKHAQPMV-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)CC2CCCC2)n1	2066356867	MYLNFVUZWUUAIA-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
CCCC1([C@@H](N)CC2[C@H]3CCCCC[C@H]23)CCC1	2069278186	GCKZXSVKMCRHAS-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C(=O)C2(CC3CC3)CCC2)CC1	2069502816	AOLXNUZIEXEBPS-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CN(C1CCCCC1)C1CC(C2CCCCC2)C1	2069607198	YXYOMRABBSFQQT-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CC1=C(C)[C@H](NCC2(C(C)(C)C)CCC2)CCC1	2071942260	BXNKOAFTYPTUPU-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)CC2CC3(CC3)C2)CC1	2072696958	QHSDIWWQDAEHOM-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(C[C@H]1CC[C@H](C)CC1)C1CC2(CCC2)C1	2072801555	OWTOQKVXIPFGIZ-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@@]3(C)C[C@@H]32)CC1	2072805681	DYSYVWQBMPKZSK-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@]23CCCC[C@@H]2C3)CC1	2072875514	OYPXHRYGSBTWRD-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
Cc1ccc2ccn(C[C@]34CCCC[C@H]3C4)c2c1	2074091089	NPOKJXVMKNVZHF-DOTOQJQBSA-N	239.362	4.530	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@]23CCCC[C@@H]2C3)CCC1	2074092903	AMTVMDHVGAXOFD-CZUORRHYSA-N	248.410	4.742	0	10	BJAE	
CCC1(CC)CC(N(C)[C@@H](C)c2ccccc2)C1	2074790682	WIZCFAICYSFJDO-AWEZNQCLSA-N	245.410	4.648	0	10	BJAE	
O[C@@]1(CCC2=CCCCC2)CCC[C@H](C2CC2)C1	2075714510	CIIGJHPCRSUBIT-DLBZAZTESA-N	248.410	4.598	0	10	BJAE	
CCN(CC[C@]12CCC[C@H]1C2)C1CCCCCC1	2076557849	FRWDARCPDLYBCI-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H]1CCC[C@@H](N[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2076577552	ZXKGLGPADJIYGW-SIRPWMCASA-N	249.442	4.514	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@@H]1C1CCC1)C1CCCCCCC1	2079292913	APCHAYZDDBVXCJ-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@@H]1C[C@H]1CCC	2079441838	XVZIKFGYSOCSHD-RKTXRCNFSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC(=O)C[C@@H]1C[C@@H]1C1CCCCCC1	2081776354	WGLBSVHEGCMSCH-NVXWUHKLSA-N	248.410	4.908	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CC(C)(C)C[C@H]1C	2081946903	MWDXAYRREKKQSY-ABAIWWIYSA-N	249.373	4.625	0	10	BJAE	
CC(=O)[C@H](CCCCCCC1CC1)C(C)C	2210527685	VBTLEAZEJTYQDA-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
C[C@H](CCC=Cc1ccccc1)CC(F)F	2210663293	ZYTSSZNXZJOCCA-GFCCVEGCSA-N	224.294	4.771	0	10	BJAE	
CCCCC[C@H](CCCCC1CC1)NCC	2211120991	QSWHZKXMWKKWKI-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H](C)C1(C)CC1	2212642782	FCEOLBOHOOGMTL-SNVBAGLBSA-N	237.774	4.503	0	10	BJAE	
CCC[C@](C)(CCCCCCC1CC1)C(=O)O	2213539680	VLKZTKWRGDAQMB-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
C[C@H]1CC[C@@H]([C@@H](N)CCCCCCC2CC2)C1	2213573852	MIDWLMVKQPOXOG-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)CN(CC)CCCCCCC1CC1	2213581241	UNOHUVIWZQVFAV-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCCN[C@H](C1=CCCC1)c1scc(C)c1C	2213662797	YOZYGIGTTIHFHP-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC[C@@H]1C[C@@H]1C)NCC	2215300895	MGZXOQCXRRBXFP-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)[C@H](CC1(C)CC(C)(C)C1)NCC	2215401108	MOPFLCLRVZAZOA-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H](CCCC(F)F)NCCC	2216405173	BKBPTEQBFIGOOO-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CCCCC(F)F	2216420069	YRKCMPGVWBAGMF-STQMWFEESA-N	249.389	4.602	0	10	BJAE	
NCC1(CCCCC(F)F)CCCCCCC1	2216426606	BXOSOFFMTMLIQI-UHFFFAOYSA-N	247.373	4.501	0	10	BJAE	
CC1(C[C@@H](N)CCCCCCCC2CC2)CC1	2216876560	DWTUVILWTDOKBN-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCC1CC(C(CC)(CC)CN[C@@H](C)CC)C1	2217126873	VBLKFYJAJFTJSA-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CNC1CCC1)C1CCCCC1	2217141194	RTVOTZGSPOVQLQ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CN[C@@H](C)CC)C1CC1	2217146168	WRSCSSYLOUYOSV-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C(C)C)CCC=CCCC1	2217155757	FMXKDEYAAZFVRD-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
NC1(CCCCCCC2CC2)CC(CC2CC2)C1	2218717938	JECUTTNEGJVKPF-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C(CCCCCC1CC1)=C1CNC12CCCCC2	2218720225	HGLCTBJKNCETNG-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCCCC(C)(C)Nc1cc2ccccc2cn1	2220425199	BVMABXQVQMKADT-UHFFFAOYSA-N	242.366	4.616	0	10	BJAE	
CCC/C=C/CNC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222949875	SOGRAMHMVYFZNG-KUUJHZBNSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)n(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1	2222970661	DGFVGLMUYQAKLO-ZACQAIPSSA-N	245.410	4.711	0	10	BJAE	
NC[C@]1(CCCCCCCC2CC2)CC=CCC1	2223106154	QZOBJUHDTIOBTG-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
C(CCCN[C@H]1CCC2CC1C2)CCCC1CC1	2223124915	YZWVLHCXPKRYGR-JCYILVPMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CC2)CCCCC12CCC2	2223588443	HLTMFKBNMBIOSM-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CCC[C@H](C)CCCC(C)C)NC	2244844519	BINCOCBKVIEQGK-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC(=CC[C@H](C)CCCC(C)C)[C@H](C)N	2244844824	GXPMUKMQBNJCCU-KGLIPLIRSA-N	225.420	4.523	0	10	BJAE	
CCCN[C@@H](CCC)C[C@@H]1CCCCC12CC2	2246607813	VCJHDYZPAPAQOE-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CSc1ccccc1NCCCC[C@@H]1C[C@H]1C	2247121101	PFSWLOKLDTYHJB-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
CCCC[C@H](CCCCC[C@H]1C[C@H]1C)NCC	2247128823	LZUMAVSBPHWQMU-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CCCC[C@H]1C[C@H]1C	2247157545	DHGYFGCRQNJFOL-PMPSAXMXSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@H]1CCCCCCCC1=O	2247395635	AEOWZLSHWSFECL-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1(C(C)(F)F)CCC1	2250361096	JQBANBJIWBUFFI-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CC1)[C@@H](CC)CCC	2250364120	DBRHLWHKMPVHLC-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cccc2sccc12	2250368725	DJOHLEFKJPUIJO-IAQYHMDHSA-N	248.391	4.761	0	10	BJAE	
CCC[C@H](CC)CN[C@@H]1CCCC[C@@H]1C(C)C	2250380932	JROVAGQUKHWJPL-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C1=CC[C@@H](C(C)C)CC1	2250387673	QWYYXICGFVWGRH-IIAWOOMASA-N	237.431	4.523	0	10	BJAE	
CC=CCCCc1ccc2c(c1)CC(C)(C)C2	2251638659	WQWVNXKFQYEWLF-UHFFFAOYSA-N	228.379	4.710	0	10	BJAE	
CC(C)[C@@H](C)N(C)[C@@H]1CC(C)(C)CCC1(C)C	2251723087	XIPDWLXCRODMCT-ZIAGYGMSSA-N	239.447	4.568	0	10	BJAE	
CCC1(C(=O)CC[C@@H]2CCCCC23CC3)CCC1	2253858831	WIVXMDWUOJLNAQ-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@H](C)CC(C)C)CC2	2253862005	GXYMBANYONVKPQ-CJNGLKHVSA-N	245.410	4.794	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@H](N)CC2CC3(CCCC3)C2)C1	2254110711	WENMADAWMCRNJL-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
NC1(CC2=CCCCC2)CCC2(CCCC2)CC1	2255093429	YYWZEUUSZMDMQW-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
C[C@H](N[C@H](C)[C@H]1CC12CCC2)C1CCCCCC1	2256437971	TWOZRMMRUHKAFB-SQWLQELKSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cccc(C(C)(C)C)c1	2259449043	UIVGOMMAUDONKQ-ZDUSSCGKSA-N	246.394	4.993	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@]12CCC[C@@H]1CC2	2260525487	VQPRPZVXYBFFNZ-DYVFJYSZSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@@]23CCC[C@@H]2CC3)C1	2260652525	RYMOJCXWJABODT-VQHPVUNQSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@H](C)CC1CCC1	2298913021	BOMBGBUNQKZGCS-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)C(C)(C)C1CCCCC1	2298942560	MEXRSERNZCRMHM-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@@H]1CC12CCCC2	2300497522	UQBGEKXKGKYKGS-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(=CC[C@@H](C(C)C)[C@H](C)O)CCCC(C)C	2300868964	DPCZJSXRTNYJMR-HOTGVXAUSA-N	240.431	4.802	0	10	BJAE	
CC(=CC[C@H](N)CC(C)(C)C)CCCC(C)C	2300871585	HIBZPWDFEMDKBN-HNNXBMFYSA-N	239.447	4.913	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@]1(C)CC[C@H](C)C1(C)C	2300902303	SLPDODSVJUCTKA-OFQRWUPVSA-N	237.431	4.523	0	10	BJAE	
CCN[C@@H]1[C@H](CC=C(C)CC)CCCC1(C)C	2300903986	KIDPPXBVZNIZAY-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CNCCCC(C)=CC=C(C)CCCC(C)C	2300905080	VFORERAJIHQVNO-UHFFFAOYSA-N	237.431	4.705	0	10	BJAE	
CCC(C)=CCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1N	2300909597	PSYWOJHLHPPFIA-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
CC[C@@](O)(CC=C(C)CCCC(C)C)C(F)F	2300911798	NUVNXCQMKXZDSY-CQSZACIVSA-N	248.357	4.555	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CC1CCCCCC1	2301201518	NFBYPZPJQYNVKN-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@H](C)[C@@H](C)C(C)C	2301954036	VXYOHCYOYBBAIV-JONQDZQNSA-N	242.447	4.882	0	10	BJAE	
CC(C)CC1(c2nc([C@H]3CC3(C)C)cs2)CC1	2302269456	TVKFMSJPRQMDSD-LLVKDONJSA-N	249.423	4.734	0	10	BJAE	
Cc1cc([C@H](N)CCCC2=CCCCC2)cs1	2302349577	RDZLNCWAQRUROT-OAHLLOKOSA-N	249.423	4.727	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@H]1CCC(C)(C)C1	2302710717	SQRMPWAXZMVAGK-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCC[C@@H]2C[C@@H]21	2302987229	LKMJZHKBPDGBNW-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)CC[C@H]1CCC(C)(C)C1	2304408045	LAJVZHFACFNYAM-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC[C@H]1CCC(C)(C)C1	2304448464	YNDMCRVFHIULOM-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2307833818	DYXSPSKTVYUCMB-NPJQDHAYSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN)CCC[C@@H](CC)C1	2307909618	VBTQEMPBJBOOJS-ARFHVFGLSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)CC1[C@@H](C)[C@@H]1C	2310147763	ZWCQBFUKEHTYFR-DZKIICNBSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@]12CCCC[C@@H]1CCC2	2311610120	DKIDRYAXSUTEEP-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC[C@@](N)(C[C@H]1C[C@@H]2CC[C@H]1C2)C1CCCCC1	2312916363	WSGHKWHPEYZCAK-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(NC[C@@H]2C[C@@H]3CC[C@H]2C3)CCC1	2312923622	IUXCLWJHQMLREW-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
N[C@@H]1C[C@H]2CC[C@@H]1C[C@H]2CCCCCCC1CC1	2313013041	KGXMSUHBTWROIZ-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313198029	DRZKUDQRCGSBCC-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)[C@@]12CCCC[C@@H]1CC2	2313305667	YUVSQAHFUXLVGB-VWPFQQQWSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c2c3c([nH]c12)C[C@@H]1CC[C@@H]31	2316224213	CQXAUYYSZWUKIT-WCQYABFASA-N	239.362	4.649	0	10	BJAE	
CCC(C)=CC[C@@H](NC)C1C[C@H]2CCC[C@H](C1)C2	2316502131	JMCFBXHMRWXLDJ-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@]1(O)CC[C@H](C)c2ccccc21	2316533321	YBZUQUUVKGVWPW-YOEHRIQHSA-N	244.378	4.518	0	10	BJAE	
C[C@H]1C[C@H](C)C1C1(N)CCC2(CCCCC2)CC1	2317079024	GIAMQCAOMWHAFI-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C1=CC[C@@H](C)CC1	2317907886	UIHUZENCRRZGFO-PBHICJAKSA-N	247.426	4.601	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@]12CCCC[C@@H]1C2	2317948616	PIHPLALESPWFHQ-NVXWUHKLSA-N	246.394	4.807	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CCC1=CCCCC1	2317962526	MVHWULOVKPKBQY-KRWDZBQOSA-N	249.442	4.992	0	10	BJAE	
C1=C(CCCC[C@@H]2CC[C@H]3C[C@H]2CO3)CCCC1	2318578281	LOMWVQFAWZYYEZ-IKGGRYGDSA-N	248.410	4.862	0	10	BJAE	
CCCc1cccc([C@@H](O)CCCCC2CC2)c1	2318886482	WRXQDTPKQLKFKX-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2318939250	RPDZLZWAICRMPC-GMBUGEKQSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)CCCC[C@@H]2C[C@@H]21	2319245496	FSPJTROPYZJXJQ-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CC[C@H]2C(C)(C)C)c1C	2320213427	MDHFRRXYUGNFMN-HUUCEWRRSA-N	244.378	4.558	0	10	BJAE	
CCc1ccc(OC[C@@H]2CC[C@H]2C(C)(C)C)cc1	2320255691	XFAWFVCRYOFQFV-GOEBONIOSA-N	246.394	4.700	0	10	BJAE	
CN[C@@H](CCCC1CC1)C[C@@H]1CCC(C)=C(C)C1	2320409399	UIGGMBSXBZDAQH-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2cc(C)ccc2C(C)C)N1	2327787011	QGMZVXBJWSBBMP-RHSMWYFYSA-N	245.410	4.712	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H](C)c1ccc(C)cc1	2328270210	XELUQPIFNDTARS-ZOBUZTSGSA-N	247.426	4.642	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)c(F)c1	20371448	KNKJLKAYJOQPQT-QWHCGFSZSA-N	249.373	4.761	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(F)cc1	20520074	NVZUWZKRLYFAPB-LBPRGKRZSA-N	223.335	4.597	0	10	BJAE	
CC(C)CC(CC(C)C)Nc1cccc(F)c1	21811941	SDFQAVKIOHQFFI-UHFFFAOYSA-N	237.362	4.698	0	10	BJAE	
CCCCC[C@H](N[C@H](C)CC)c1ccccc1	37186573	QEYADKOJUQGZHG-ZBFHGGJFSA-N	233.399	4.696	0	10	BJAE	
O=C(CCCCC1CCCC1)c1ccccc1	38244081	MWALMBOEYYTJFU-UHFFFAOYSA-N	230.351	4.620	0	10	BJAE	
Fc1cccc(C(F)(F)F)c1C1CCCCC1	75841112	JPPODWMHFQMUIL-UHFFFAOYSA-N	246.247	4.892	0	10	BJAE	
CCN[C@H](CCCC1CCCC1)c1ccccc1	80424422	HMONMORGKJNEGR-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CCCCCC[C@]1(O)CCC[C@@H](CC)CC1	83520426	OUXBOMXCUDDKSH-CABCVRRESA-N	226.404	4.678	0	10	BJAE	
Cc1cc(=S)[nH]c2ccc(C(C)(C)C)cc12	84034928	XKRMUVGHHLIRRG-UHFFFAOYSA-N	231.364	4.503	0	10	BJAE	
C[C@H]1CC[C@@H](c2ccc(C3CCCCC3)cc2)N1	84071199	FXTXJGKLMHAANJ-GUYCJALGSA-N	243.394	4.547	0	10	BJAE	
CCC1CCC([C@@]2(O)CCCC(C)(C)C2)CC1	85078116	DOIOPKNRJBANHI-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H]1CCc2ccccc2N1	86668909	QMZAXAYJYQJNEA-UNEWFSDZSA-N	243.394	4.630	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C)CC2)cc1C	86878993	AUABAHZTWMAAHH-SWLSCSKDSA-N	231.383	4.684	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CCC(C)(C)C)CC1	87187330	XNTXWHNLDWRGKI-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](C)CC1(N)CCC(C(C)(C)C)CC1	109702866	AJRBDVIQJCITBF-HLIUYOAVSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C[C@@H](C)C(C)(C)C	124832170	AECPJWZQYZUGHI-QLFBSQMISA-N	241.463	4.993	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCC(C)C)NCC	124981221	MYSKKRUUHUZYSJ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC[C@@H]1CNC	155534576	XCYRINCGSFUBGT-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H]1CCCC[C@@H]1CNCC(C)C	155687320	TUKDHPLVJNFMKS-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCCNCC1(C2=CCCCC2)CCC(C)CC1	161452061	YMBQQAZGAOBQSV-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CCC[C@H]1NCCCCCCC(C)C	163779046	KXCJTIFVVYEZOB-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](O)(c1ccccc1)[C@H]1CCC[C@@H](C)C1	226979994	WOMPDEBNWMWNNZ-HYVNUMGLSA-N	246.394	4.501	0	10	BJAE	
Cc1cc(N)ccc1NCCCCCCC(C)C	232542211	CGCLVWKLMBTPAI-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1(C)CCCCC1	233006602	NMSVPEVDPMBEAF-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1c1cccc2c1CCCN2	233925030	GVHOPDDGMSBQPO-ZIAGYGMSSA-N	243.394	4.729	0	10	BJAE	
Cc1cccc(OC2C[C@H](C)C[C@@H](C)C2)c1C	235623108	INLBAKOSGSUYKR-VXGBXAGGSA-N	232.367	4.507	0	10	BJAE	
CCCN[C@@H]([C@H]1CC[C@@H](CC)C1)[C@H](C)CCC	300471610	XGZNDKSXHOAAHO-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](O)CCC1CCCC1	300750780	LBPZKBFIAGNDIQ-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)CCCC(C)(C)C	300814454	GGXICFQIJKPPCJ-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCCC(C)(C)C)C1	304149285	OHUVOMDEFUXXGW-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)ccc1C	306031969	QABDHBDCDPIEHF-XNRPHZJLSA-N	245.410	4.794	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(C2CCC2)cc1	306036800	QZPFYPXRUPXKBA-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)C1CCCCCC1	308042568	BXKYQVYYAILADB-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]([C@H](CCC)CC(C)C)C(C)(C)C	308052546	NDZFUNXEKRUBOI-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCCC(C)C	308103368	HOYTYVZXZPXECW-CQSZACIVSA-N	226.404	4.844	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(C[C@H](C)C2CCCCC2)C1	310332947	MACPYWUVDXOYCE-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](CC)c1cccc(C)c1	310838861	ARQUFDQIDFNRFM-IRXDYDNUSA-N	247.426	4.657	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CCC[C@@H](C)C2)CC=CCC1	317587306	OCBYRKIPABNKHD-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@@]1(CNC2CC2)CCC[C@H]1C	317984953	QYXLWZSCUDZWQE-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](N[C@H](C)c1ccc(C)cc1)C1CCC1	322398751	RCIMVFMDLBZPQJ-PBHICJAKSA-N	245.410	4.614	0	10	BJAE	
C[C@H](CC[C@H](N)C1CCCC1)C1CCCCC1	380044798	SXEVHNPIHFIRDV-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CC1CCC(C)(C)CC1	383711970	UFYILXPJPMNHPI-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
Cc1cc([C@H](C)N[C@@H](C)CC(C)(C)C)cs1	384525293	LBYCMIKEKJHINM-JQWIXIFHSA-N	239.428	4.532	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccccc1Cl	384763073	OIFYMEQKYIVKCZ-SNVBAGLBSA-N	225.763	4.577	0	10	BJAE	
Cc1cc(N)ccc1S[C@@H]1C=CCCCCC1	393964421	XLIVERITKKKOEI-CQSZACIVSA-N	247.407	4.558	0	10	BJAE	
C[C@H](CC(=O)CCC1CCCC1)c1ccccc1	395164713	OQKXZMMCCNZGSY-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
CCC(CC)(CC)CNc1cccc(Cl)c1	395201247	WBDLLLYUYIRVAK-UHFFFAOYSA-N	239.790	4.968	0	10	BJAE	
CC[C@H](N[C@H](CC)[C@@H]1CC1(C)C)c1ccccc1	397622311	LPNRFKCLMFZEFL-HRCADAONSA-N	245.410	4.552	0	10	BJAE	
CCN[C@@H](c1ccc(C)c(C)c1)[C@H](C)C(C)(C)C	399174229	MJMSULUIGNQZQW-GOEBONIOSA-N	247.426	4.636	0	10	BJAE	
Fc1ccc(CCC2=CCCC2)cc1Cl	401160481	OPSSBBJQTNKOGL-UHFFFAOYSA-N	224.706	4.522	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H]2CC=CCC2)C1	402275700	JFJRDRTVIBQYQJ-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2CC=CCC2)CCC[C@H]1C	402400764	OMYGSPUEORQXEO-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@@H](N)CCC(C)(C)C2CC2)c1C	405744223	QBZCIPFWPWAOCC-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
Cc1cc(O)c(C)c(-c2cccc3ccccc23)c1	686556277	JMLSAWIFIGETJN-UHFFFAOYSA-N	248.325	4.829	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)c1cccc(C(C)C)c1	688913228	IKGXZWQFLCNDBS-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CC(C)c1cccc([C@H](N)CC2CCCCC2)c1	688920461	NWENCRAZKYEXNJ-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
C[C@H](C(=O)c1ccc2sccc2c1)C1CCC1	692694927	QDOKMTUBXRRJLE-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
c1ccc2cc(N[C@]34CCCC[C@H]3C4)ccc2c1	693160292	GALQJAUNEGIHNB-RDJZCZTQSA-N	237.346	4.584	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)c1ccc(C)cc1C	695098033	JXJQUVUKTFLUOD-HUUCEWRRSA-N	247.426	4.779	0	10	BJAE	
CCCC(CCC)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1	695299359	JODOVBIRQWJFCO-FICVDOATSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1ccc2sccc2c1	697805970	CZFYDGZZVIXGRN-CQSZACIVSA-N	245.391	4.648	0	10	BJAE	
CCC(C)(CC)[C@H](C[C@@H](C)CC(C)(C)C)NC	701204930	KBHMSIAEQOSKKD-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@]2(N)CCCC23CCCC3)C1	704448017	UTUNBMBBAQAODW-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC[C@H]2CC=CCC2)CC1	706869228	OQBPIEKBAULSQU-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H](C)CC(C)C	709079989	NNMNQUBWRFGBCA-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
C[C@H](CC(=O)[C@H](C)c1ccccc1)CC(C)(C)C	709208228	ANVPPAKLBBYVGJ-ZIAGYGMSSA-N	246.394	4.822	0	10	BJAE	
C[C@H](C[C@](C)(O)CCC(C)(C)C)C(C)(C)C	710795191	APPJNRUOZCLPPX-IUODEOHRSA-N	228.420	4.636	0	10	BJAE	
C(CNC1CCC(C2CCC2)CC1)CC1CCC1	711194219	SCKJSIOVXIPKCK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C[C@@H](N)CCC=C(C)C)C(C)(C)C	711211328	BWWXQMGVGFQBQS-KGLIPLIRSA-N	225.420	4.523	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@@H]2CCCC[C@H]21)C1CCCCCC1	712493448	XDTJGDRCUPMNEI-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
C=C/C=C\CC[C@H](CC1=CCCCC1)NCCC	713741092	SPBULSBKSGSCIB-KEGWNNHHSA-N	247.426	4.768	0	10	BJAE	
CCC(C)(C)C[C@H](CCC(C)=C(C)C)NC	718542846	UUGZJNZCDWFGEW-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1sc(C)cc1C	719449854	SQZCNSMXPPDWHD-GFCCVEGCSA-N	240.412	4.615	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)c1cccs1	1258430194	JVNKLRROKLBQNX-CHWSQXEVSA-N	239.428	4.758	0	10	BJAE	
CC[C@@H](NC[C@@H]1CCC=CCCC1)C1CCCC1	1308974045	CVMKYKBXMHJUFO-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
c1cc(CCCSCC2CCCC2)cs1	1641475316	VDJNSFAVYHUWJH-UHFFFAOYSA-N	240.437	4.604	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@@H]1C[C@H]1CC	1896801187	AHGWWKRELAGPSX-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCc1cc(CC2=CCCCC2)ccc1C	1899958644	NEJVAJQEIIAVIW-UHFFFAOYSA-N	214.352	4.600	0	10	BJAE	
CCC(CC)CCC(=O)C1(C)CC(C)(C)C1	1900709737	NNIJCIFVRRDHRX-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CCC(=O)C(C(C)C)C(C)C	1900714766	XRIOBPPONHNGMY-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906527966	LEEAVZJEDCKGGO-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H]1CCCC[C@H]1C	1911794549	NZBUVOBPIKIDDU-IKGGRYGDSA-N	249.442	4.703	0	10	BJAE	
CCCC[C@](O)(CC)c1cccc(C2(C)CC2)c1	1919477722	SYEBCRSXWWRXOI-QGZVFWFLSA-N	246.394	4.526	0	10	BJAE	
CCCCCC[C@@](C)(O)c1cscc1Cl	1919971401	ZOMFCTMCUJBFCF-GFCCVEGCSA-N	246.803	4.579	0	10	BJAE	
CCCC[C@](N)(CC)c1cccc(CC(C)C)c1	1920140187	VKQWANLRJXDYAY-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)[C@@H]1CCCC12CCC2	1921585601	HHTXKFDWSZZJLA-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@H](C)C1CCCC1	1924085036	APASUHSZOGHSKW-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(CC[C@H]2C=CCCCC2)cc1	1925835933	QYIWNIRVHDHBRS-INIZCTEOSA-N	228.379	4.928	0	10	BJAE	
CC(C)(NC[C@@H]1C=CCCCC1)C1CCCCC1	1925914102	ZFPGFGWINLMGMS-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C=CCCCC1)C1CC1	1925946263	RJKBILZCUNEURK-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)CC1CC(C)C1	1927013712	BDJJSUGAMWZNDU-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cc(Cl)sc1C	1933603454	VWKYTWUFXICQKK-UFBFGSQYSA-N	245.819	4.536	0	10	BJAE	
CCCCC(=O)CCC1CCC(C)(C)CC1	1939110758	HYYXMQMDIVLMHY-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccc(C)c(Cl)c1	1939408795	XQQKVHSEXXQCKU-GFCCVEGCSA-N	237.774	4.639	0	10	BJAE	
CCCN[C@H](CCC[C@H]1CC1(C)C)CC(C)C	1940872655	NYEPZZDLIAXFIP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CCCC1CCC1)NC	1941272815	NCQHWMKMZULURU-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
C[C@@](N)(CCCCCC1CC1)CC1CCCC1	1941596241	LJSICVWIBUYVBX-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)NC[C@@H](CCCC(C)(C)C)C1CCC1	1942089116	OMMCGBOQUUSQPG-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H](C)CCC(C)C	1942663148	OYONIUVDTROOAW-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@@H](C)C1CCCCC1	1944640208	DJKLULYSUTVODK-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@@H]1CCC[C@H]1C	1944843826	VAUXMZSQIIRHLG-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
Clc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)c1	1946336925	LQGXJHYEHOEBOD-NILFDRSVSA-N	249.785	4.721	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC12CCC2)c1cccs1	1947878763	LLWVPFKBYADIEO-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
CCC(CC)C[C@@H]1c2ccccc2NC[C@@H]1C	1949112191	QLBUYJHWTFNBPD-WFASDCNBSA-N	231.383	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC2(CO)CCCCC2)C1	1950370416	CCNIDTXDLWPJRX-HUUCEWRRSA-N	238.415	4.536	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1C(C)=CCC[C@H]1C	1950981218	WYCKCDZMCHXAHO-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
C1CCC(CN2CC[C@@H]2C2CCCCCC2)CC1	1967845645	SATLWBVGKVWCOB-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CC1CCC(N(C)C[C@H](C)CC(C)(C)C)CC1	1968748153	QSPUFVFNNNACOU-SHARSMKWSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CCCCC12CC2	1972725743	QTSLVCLWXSCCHA-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC[C@]1(C)C[C@@H]1NC(C1CCCC1)C1CCCC1	1973341384	GSBQVIKBQDJHRH-DOTOQJQBSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1cc(C(F)F)cs1	1977081443	QNMWAWIQDAZPAL-JTQLQIEISA-N	247.354	4.512	0	10	BJAE	
CC(C)(C)CC[C@H]1CCCCCCC[C@H]1O	1980351746	QJPYCHGNFGJFLX-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CCC[C@H](O)CC1(C)CCCC1	1980383793	XGEQOOYUXGENRB-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)CNC1(CCC)CCC1	1981291747	JDVRCZAICDHFTJ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
C/C=C/CCCCC(=O)CC1CCCCC1	1984590595	DPVOIJRXYZSWDN-NSCUHMNNSA-N	222.372	4.662	0	10	BJAE	
C=C=CCCC[C@H]1CCC[C@H](C(F)(F)F)C1	1985447551	LUQWGUCEPRVZQC-RYUDHWBXSA-N	232.289	4.867	0	10	BJAE	
CC[C@](CN)(CCCCCC(C)C)C(C)C	1986419668	SJBADIXAMUAIJJ-OAHLLOKOSA-N	227.436	4.604	0	10	BJAE	
CCCN[C@@H](CC)CCC1(CCC)CCC1	1988467891	ZGGCDLONKIRDGJ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(F)cc1Cl	1989823296	DTPUTNSUGBZMSL-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)C12CCC(CC1)C2	1995985479	JTPKQYIVLJTCFW-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@@H]1CCCC[C@H]1C	1996612303	XIGUMLNCVPFRFK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@]1(C)CC=CCC1)CC(C)(C)C	1997610132	CETQZRBKRSKOBL-CZUORRHYSA-N	236.399	4.764	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1ccccc1SC(C)C	1998745023	WVICVSMSHAZCAB-OLZOCXBDSA-N	249.423	4.788	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@H]1CC(C)C	1998754603	DWGAECBQJQWWQY-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CCCCCC(C)C)CCCC1CC1	2000323914	ZTVTXOUJJXKBQI-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](NC)C1(C)CCCCCC1	2000337100	YMYHZQGEDMPRPF-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NCC)C1CC2(CCCCCC2)C1	2000670932	SHSCDLUZRGUPJV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2003012737	BWHQCPJDQRMLHW-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(N)[C@H]1CCC[C@H](C)C1	2003020376	OAYKPJBYZNRXBS-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
Cc1csc(C)c1C(=O)[C@@H]1CCCCC12CC2	2005562527	BXMXXAKUNNIHHR-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C1(C)CCC2(CC2)CC1	2007682452	ZSDKVSOPEZGOCV-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C)(C(=O)CCCC2(C)CC2)CC1	2007682795	GBNNXEQCQGZZSU-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](N)(CC)CC1CC(C2CCC2)C1	2007753542	GDQXJSGTHACPSX-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC=CCCCN(C)C1CCCCCCCC1	2009569753	SMDHQAFKEVYPLP-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
C/C=C/CCC[C@H](O)c1cccc2ccsc12	2009592086	JUICMBJAXUFGRK-HSWBROFVSA-N	246.375	4.681	0	10	BJAE	
CC=CCCCC1(O)CCC(C(C)(C)C)CC1	2009594163	SZIYGKMXKRTBGL-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CC[C@@H](CC)C1	2009594897	HWGKKGKMGFLHOW-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
Clc1cccc(N[C@H]2CCCCCC23CC3)c1	2011271173	HSYWJCAAHYBMOV-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
C/C=C/CCCN[C@H]1CCC[C@H](CC(C)C)C1	2011438915	VIWFHIHOYLGPOZ-SGFLJFKBSA-N	237.431	4.537	0	10	BJAE	
CSc1cccc(N[C@@H](C)C2(C)CCCC2)c1	2014331767	WUPFJIXWYXYCKD-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
C[C@@H](NCC1CCCCCC1)C1(C)CCCC1	2014335604	WHTSASMGMXWCGY-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@@H]1CCC[C@@H](C)C1	2016148838	DGVSVDVOUUNLDV-OAGGEKHMSA-N	238.415	4.700	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cccc(F)c1F	2016150951	ZNAUKXAOLYSGRR-NSHDSACASA-N	239.309	4.512	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@@H]1CCC=CCCC1	2016827433	SAEIKARCTVMBPJ-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)CC(F)=C(C)C	2017462969	GXIWXOIRYMKUBF-HNNXBMFYSA-N	243.410	4.834	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(O)CCC[C@H](C)C2)CC1	2017653559	UVRXUAWLXDPZJP-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(CC)CCCN2)CC1	2017721673	BKGFVQPOPYSPHW-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)C[C@@H](C)CC)CC1	2017728613	NLXOTQIYOKEBMV-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1c(F)ccc(C)c1F	2017740430	CVNFLYIKANUJIT-SNVBAGLBSA-N	241.325	4.510	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)C1(CC)CCCC1	2018989107	BOAXVFSKSRIGET-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCCC2(CC)CC)C1	2019186140	KVGBEHAPCIYASZ-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CCCCCN(C(C)C)[C@H]1CCC[C@H](CC)C1	2019198538	AYZQSYJOTQFFLT-HOTGVXAUSA-N	239.447	4.856	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(CCC)CCCCCN1	2022486519	XHISPQFVWCCQKC-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@H](CC)C[C@@H]1CCCC(C)(C)C1	2024094873	NEWXUYWIWZXTCS-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCCc1ccc([C@H](N)CCC2(C)CC2)cc1	2027731635	FXRUWUXRIWZUGM-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CCCC[C@H](N[C@H](C)[C@H]1C[C@@H]1C)c1ccccc1	2029889360	XLVGXGVVHAYUKZ-FSDCSDTHSA-N	245.410	4.552	0	10	BJAE	
Cc1cccc(N[C@@H]2CC(C)(C)CC3(CC3)C2)c1	2030279434	JFDWJMOVDQUKDS-OAHLLOKOSA-N	243.394	4.766	0	10	BJAE	
CC1(C)CC[C@H](C(=O)c2ccc(C3CC3)cc2)C1	2033396679	XSRFAEYCJWMNON-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)c1C	2034263649	NNZFJMYANVADDI-YQQAZPJKSA-N	243.394	4.684	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H]3CCCC[C@H]32)cc1	2034266878	YQYAFJYAOVARCH-DJIMGWMZSA-N	243.394	4.630	0	10	BJAE	
CC1(c2ccc(NC[C@@H]3C=CCCC3)cc2)CC1	2035595651	ZACPCFGEWWVLNM-CQSZACIVSA-N	241.378	4.506	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@@H]2C=CCCCC2)C1	2037276181	VSKAALZTQRMCEF-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCCC1CC([C@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2037686467	MERQETBWPYGPJY-GYTBAZASSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@@H]1CCC2(CC2)C1	2038566678	DYRWQUBECSJCBB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@H]1CC12CCCCC2	2039000628	UERSDCOPKALUKZ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@H]1CCC[C@@H](C)CC1	2039364082	UZWZMPDPYWIZGG-YCPHGPKFSA-N	249.398	4.537	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNC1CCCCCCC1	2039454194	YUVCKAWOTSZJQE-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2CC3(CC3)C2)CC1	2041375617	JFHGGPOIEMOVBK-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)CCC2CCC2)cc1	2042743004	QARZVJMHSWNZDU-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CC1CC([C@H](C)N[C@@H]2CCCC23CCCCC3)C1	2043540867	OINFEZYRSVUDKA-BHDPWAOGSA-N	249.442	4.514	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1C[C@H]2CCC[C@@H]21	2045308075	QQIHKXTWFFEBLV-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
Cc1ccc([C@@H](N)[C@H]2CCCC(C)(C)C2)cc1C	2045392701	XBDWKIMFXYUORR-JKSUJKDBSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)C1	2045459763	HEBJUVHRVQRHBD-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](N2CCCCC23CCCCC3)C1	2045523089	UZSWBNXOJYMJFE-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@@H]2CCC[C@@H](C)C2)C1	2045561265	FKDMHRCEMHZNSM-CLWVCHIJSA-N	248.410	4.764	0	10	BJAE	
CN(CC1(C)CCC1)C1CC2(CCCCCC2)C1	2046907920	HDNLGDINTYIGES-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC([C@@](C)(N)C[C@H]2CC23CCCCC3)C1	2047058898	MKPIYVUIDQTMBV-HOCLYGCPSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CC[C@H]4C[C@@H]4C3)c12	2047346155	MGHMWAPOIQGCAG-ARFHVFGLSA-N	239.362	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2[C@H]3CCCC[C@H]32)CC1	2049197731	JWKURUZEJYADGG-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H]1CCCC(C)(C)C1	2049497223	ANTIRTWAAITMNL-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(CNC2CCCCCCCC2)cc1	2049671304	CHKTYSPJQAEVRM-UHFFFAOYSA-N	245.410	4.588	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1CCCCC12CC2)C1CC1	2053358528	PPTFZHWOYVDRBI-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC1CCCC1)NC[C@@H]1CCCCC12CC2	2053429123	CXWGDBRLJABOHU-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]1C[C@@H](CCC2=CCCCC2)C[C@@H](C)C1	2055018049	PTGISHLWZKHPSU-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C)([C@@H](N)CC2CC3(CCC3)C2)CC1	2056557505	VGXBESHFXHXNLI-SIWZUTFBSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CN[C@H]2CCCC3(CCCC3)C2)C1	2056731257	QAQSSZLRVWGONV-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H]1CCC[C@H](C)CC1	2056871328	SBTSSRXNDGGHLV-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)c1cocc1C	2056882209	IBQSPZUXBMWJAU-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC2CC2)CCCC[C@@H]1C	2059258020	CJTDQMHRZHAIJW-PKOQZONYSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)CC2(C)CCCC2)CC1	2061140895	QTCSPZKLIWTOSU-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
C[C@](O)(CC1CCCCC1)CC1CC(=C2CC2)C1	2061685095	NLVMQELCWAEVMY-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@@](CC)(CC1CC(=C2CC2)C1)C(C)C	2064505978	HNGDVLHORFNZRX-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC23CCC(CC2)C3)C1	2065276244	BLTYWXAWESCXKW-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
CC(C)(NCC12CCC(CC1)CC2)C1CCCC1	2065313485	UFIJVASHQMCBFM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](N)[C@@H](CC23CCC(CC2)CC3)C1	2065338922	WBCCPHDMCATNDO-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(N[C@H](C)[C@H]2CCC2(C)C)cc1	2068290437	YNYMMHCJNGAEMW-CZUORRHYSA-N	245.410	4.876	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@H]2CC23CCC3)CC1	2069172677	SRAWABKWXARBNH-GOEBONIOSA-N	249.442	4.502	0	10	BJAE	
C[C@H](NCC1(CC2CC2)CCC1)C1(C)CCCC1	2069509932	XBTDLGZLTDFOSS-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)C1(CC2CCC2)CC1	2069587100	MGESOLIKAIVOBR-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNC1(C(C)(C)C)CCC1	2071882281	ZTCCLNBPOWOUGG-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC1(C(C)C)CCC1)c1ccccc1	2071946780	UGZMCPDMXJLAAV-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CN[C@@H](CC1(C(C)C)CCC1)[C@@]1(C)C=CCCC1	2071947043	WUXCYMLRNHRQHN-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2072094386	YZWFUWJEMGNRMV-OEAJRASXSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)c1ccc(C2CC2)cc1	2072428297	ZAUGVYSMRNALPE-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
C=CC=CCCN(C)C[C@H]1CC[C@H](CCC)CC1	2072661595	WFPDYQWYVGAEDF-QAQDUYKDSA-N	249.442	4.657	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@]23CCCC[C@H]2C3)CC1	2074030354	SQPORCTZGPEWDP-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CNc2c(CC)cccc2CC)CC1	2074639963	ACHMWAVHIKJSBD-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H]2CCCCC23CC3)CC1	2074649682	WFABJBVOHCOJPA-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CC[C@]12CC[C@H](C)CC2	2074898366	CAYQULDQSAXHBT-VQHPVUNQSA-N	249.442	4.610	0	10	BJAE	
CCCCN(C[C@@]12CCCC[C@@H]1C2)C1CCCC1	2076584738	IOXRYRNBSVTORO-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1cc(F)ccc1C	2077188785	AMXCCYQMJPVWFF-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@H]2CC[C@H]2C2CC2)c1	2077262711	DFNRNJKMARXMSS-RDJZCZTQSA-N	241.378	4.555	0	10	BJAE	
CN([C@@H]1CCC2(CCCC2)C1)[C@@H]1CCCC1(C)C	2077359689	GNBBIDHWUPHJNF-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
N[C@H](C1CCCCCC1)[C@H]1C[C@@H]1C1CCCCC1	2079428842	SBVUNTAEHQROSA-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](O)c1ccccc1C(C)C	2079560173	BKUPRFVBRNDYQE-CKEIUWERSA-N	246.394	4.670	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H]1C[C@@H](C)Nc2ccccc21	2079669058	DYRVOEUTYRYJKW-KBUPBQIOSA-N	243.394	4.801	0	10	BJAE	
CC1(C)C[C@@H]1C(=O)C[C@H]1C[C@H]1C1CCCCCC1	2079840688	DLQBSQRPXIWYLD-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2079866162	QNFSKLJUFVJBFS-QXSJWSMHSA-N	248.410	4.598	0	10	BJAE	
CNC[C@]1(CC=C2CCC2)CCCC(C)(C)CC1	2081684879	YMGUOGSIZLUIMY-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)CCC2CCCC2)c1	2082929442	FQFFRZDRRGKTEA-QGZVFWFLSA-N	245.410	4.582	0	10	BJAE	
CC=C(C)[C@@H](NCCC)c1cc(C)cc(C)c1C	2082930150	NIXHKHFKQCJJNE-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)C[C@@H]2CC23CC3)CC1	2086353303	WWRZRNPOPBGERR-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(Cl)cc(O[C@H]2CCC[C@H](C)C2)c1	2212534306	YLYPZJXJWOBLDH-GWCFXTLKSA-N	238.758	4.606	0	10	BJAE	
CC[C@H]1CCC[C@@H](CCCCCCC2CC2)N1	2213576416	PLXWIJLDPCZBSA-JKSUJKDBSA-N	237.431	4.658	0	10	BJAE	
CC1(C(=O)CCCCCCC2CC2)CC=CC1	2213578945	BLBYHDSYCAMJRD-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC[C@@H]1C[C@H]1CC	2215248612	ICKFEQWPIAKLAM-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](C)(CC[C@H]1C[C@@H]1CC)CNC(C)C	2215265924	MXTPYSQQNWYQGU-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@@H](O)CCCCCCCC1CC1	2216858185	BFPWGEZUVHRGSA-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC[C@]1(CCCCCCCC2CC2)CCCN1	2216863799	RLQXEZWXJDPGDH-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
C[C@@H]1CC[C@@H](NCCCCCCCC2CC2)C1	2216871183	LIFOONFORJVXJK-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
N[C@@H]1CCCC[C@H]1CCCCCCCC1CC1	2216879791	NFQPEQWCQMCPKY-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CC1(C)C[C@@]1(C)NCCCCCCCC1CC1	2216884705	YEYOZQYBNFHVLD-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@]1(CN[C@H](C)CC)CC1(C)C	2217152660	GOKSQJGHJKJSNO-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@H]1CCC[C@@H]1C	2217157321	RVXUTVAFCPTLBZ-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218332767	PFQDDHUPKPYRAN-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
CCCCC1(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218366504	ORQXIJGKYOVURE-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
C(CCN[C@@H]1CCC[C@H](C2CC2)C1)CCC1CC1	2218749405	IYDHZFWZSLGZQP-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCC1CC1)c1coc2ccccc12	2220040823	OFTSBXVEZQRBQY-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	2220872359	CIWURBKPJIVZMW-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CC)[C@@]1(C)C=CCC1	2220874895	IUQRPGPWWSGXSH-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(CNC2CCC2)C=CCC1	2223576072	FIAXYYOHAMKPKX-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1ccc(Cl)cc1C	2244781127	JBLJWMYOHLSWNI-SMDDNHRTSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@@H](CC)CSCC(=O)[C@@H](C)CC	2246093267	WGWOPIXLWAIZPG-QWHCGFSZSA-N	244.444	4.551	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC1CC2(CCCC2)C1	2246777315	QAYHFJULQLYNBM-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C[C@@H]1CCC12CCC2	2247438045	DFMPIWWSFFWPBB-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CCCC1CCC1)c1csc(C2CC2)c1	2248053460	CZPGOSOEUJCHSR-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H]1CCC[C@@H](C)C1)NC	2250353564	WAWRIMGHPHGOPP-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1CCCC(F)(F)C1	2250357727	XMIZTCSKIHFVLA-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1CC2(CCCC2)C1	2250358932	BHVYHWGRRRNZGD-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@@H]1CCC=CCCC1	2250371928	NSXMNGWNIOVAJB-OWCLPIDISA-N	238.415	4.700	0	10	BJAE	
CCCC(CCC)NC[C@]12CCCC[C@@H]1CC2	2251135032	AGOCNIUSLAZFKC-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
C[C@H](NCC[C@H]1CCCCC12CC2)C1CCCC1	2253883428	JKSSLRRZKQEMAD-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCNCc1cc(C(C)C)cc([C@@H](C)CC)c1	2254713859	FRCLUQIHCNRXFR-AWEZNQCLSA-N	247.426	4.823	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CC2=CCCCC2)CC1	2255132265	KAIBCBHNCLEKPZ-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC[C@H]1CCCC12CC2	2255223034	FQZSQXZKOBHBNT-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC[C@H]1C=CCCCC1	2257310496	GZJONXZJJHBPSN-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1C(=O)C[C@H]2CC[C@H]1C2	2257315810	NROGXNFXSWZTTN-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC1(CC2CCC2)CC1	2257317587	YKBYLORNEOOUQJ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@]12CCCC[C@@H]1CC2	2260535155	CPDMJVLFTGLBSQ-BFYDXBDKSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C[C@@]12CCC[C@H]1CC2	2260584859	XKHXDSRYTOPPBH-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@]12CCC[C@H]1CC2	2260588699	TXPSBRAQFJXXBP-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
O[C@H](CC1=CCCCC1)C[C@]12CCCC[C@@H]1CC2	2260605905	DMQUXHGFRPFQMR-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@@]23CCC[C@@H]2CC3)C1	2260607119	MCGPUJANQGNIDX-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCCCC1(F)F	2300682638	ASZAYFKIEKHODO-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCC(C)=CC[C@H](O)c1ccccc1C(C)C	2300901961	PDOSZLXMMHMEGB-INIZCTEOSA-N	232.367	4.590	0	10	BJAE	
C[C@]1(CCCCCCCC2CC2)CCCCN1	2302541812	FIQKKIVXTOSBCM-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(N)CCCCC2(C)C)C1	2302689453	HAILLHZHMVDSKM-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC[C@H]1C(C)(C)C	2303398595	MUUDUTXGHZUFKZ-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](O)CCCC(C)C)CC1	2303527946	WTUZKLFBFVAVLK-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1cccc(C)c1C	2307846925	WEOMEDUUULXZSV-HOCLYGCPSA-N	234.383	4.553	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CO)CCC(C)=C(C)C1	2307876002	JJYFRTAZTSXXIF-HOTGVXAUSA-N	238.415	4.702	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)[C@@H]1CCCCC12CCC2	2309678448	HEHXSPXEDJIONB-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](NCC[C@@H]1C[C@H]1C)c1ccccc1	2310961403	RZRYCLHMAUBOLT-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CC(=CCNCC1(C)CC=CC1)CCCC(C)C	2316495408	FASSUPNSRDHNJU-UHFFFAOYSA-N	249.442	4.705	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)C1(CC)CC1	2318576041	LIQQNXRLYAZURM-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCc1cc(C(=O)CCCCC2CC2)ccc1C	2318872799	DNVGSVJBTGMMJA-UHFFFAOYSA-N	244.378	4.711	0	10	BJAE	
CCCC[C@@](N)(CC)Cc1cccc(C(C)C)c1	2320641830	HEGZSKHKXRBVCJ-KRWDZBQOSA-N	247.426	4.650	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CCCCC[C@H]2O)c1	2327678059	PYUVZKCBLGUQGA-DOTOQJQBSA-N	246.394	4.527	0	10	BJAE	
CC(C)c1cccc(NCC2CCCCC2)c1F	2327765346	PBEDRXRCRQNTKX-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
CC(C)c1cccc(NCCC[C@@H]2C[C@@H]2C)c1F	2327777413	GGLMOUVAJMVHHZ-QWHCGFSZSA-N	249.373	4.797	0	10	BJAE	
CCC[C@@H](CC)C[C@@](O)(CC)Cc1ccccc1	2328192929	HPRVMWSIMYMILW-WBVHZDCISA-N	248.410	4.587	0	10	BJAE	
Clc1ccc2[nH]c(-c3cccs3)cc2c1	1518033	LSGFQCGNTQSZQX-UHFFFAOYSA-N	233.723	4.550	0	10	BJAE	
C=COC[C@@H](C)CCC[C@@H](C)CC(C)C	2023948	SSOZLSNWPFIHKP-KGLIPLIRSA-N	212.377	4.635	0	10	BJAE	
CCC[C@@H](N[C@@H](C)[C@@H](C)CC)c1cccs1	49541334	SGYFWOOREPIWQD-RWMBFGLXSA-N	239.428	4.614	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1CCCCC1	71085162	NTFZROKEVJBKKG-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](Nc1ccc(C(F)(F)F)cc1)C(C)(C)C	79971653	ZXWXGFKGQDBVEW-SECBINFHSA-N	245.288	4.552	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cccc3ccccc23)C1	80425601	RZAMZQUMZHYPHT-DZGCQCFKSA-N	239.362	4.830	0	10	BJAE	
CCCCCC[C@@](C)(O)c1ccccc1Cl	83503099	QHXZHJREOJCJBG-CQSZACIVSA-N	240.774	4.518	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1cccc(Cl)c1	86322453	VGTXVWTWKDSYNA-CQSZACIVSA-N	239.790	4.569	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(c2cccc(C)c2)CC1	86939520	RPNQHRHFMCDZHZ-NVXWUHKLSA-N	245.410	4.529	0	10	BJAE	
CCCCCN[C@H]1CCC[C@@H](C(C)(C)C)CC1	86954063	YUYDBBLJCKKIGZ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
c1ccc2c(CNc3ccsc3)cccc2c1	90866901	CNRGMPXUWFSVTD-UHFFFAOYSA-N	239.343	4.513	0	10	BJAE	
CC[C@@H](C)CC1(CO)CCC(C(C)(C)C)CC1	97149588	NGUHJPWISRCHAF-VQCLRJIVSA-N	240.431	4.638	0	10	BJAE	
C[C@@H]1C[C@H]1NC1CCCCCCCCCCC1	103971706	IVQBDDOGIHZBDK-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
Cc1cc(N[C@@H](C)C2CCCCC2)ccc1F	109957100	CQZOHSXOPDEOBK-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H](C)C(C)(C)C)cc1	111646342	MPIKNYIMPIDVLE-CYBMUJFWSA-N	246.394	4.894	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1CCC(C)CC1	112886704	WKXVIEWWENKMKA-GRAKBVBRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1cccc(C)c1C	125123921	IGXWTJYDPMHOOI-RDJZCZTQSA-N	247.426	4.910	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](C)c1cc(C)cc(C)c1	132641076	HEVHPPDZKXBTQO-RCBQFDQVSA-N	247.426	4.779	0	10	BJAE	
C[C@H]1CC[C@](O)(CCC(C)(C)C)c2ccccc21	137040662	YIVURKDRWCXRBM-GUYCJALGSA-N	246.394	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CC(CC)CC)CC1	147999855	FMHOJOISWRIEPY-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
Cc1c(F)cccc1-c1c(F)cccc1Cl	160407975	MNYLDLYYNMUDTJ-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
Cc1ccc(C(=O)CC2CCCCCC2)c(C)c1	161872104	HTWLIAOHBODVIO-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
Cc1ccc([C@H](C)NC[C@@H](C)C(C)(C)C)cc1C	162607401	DWONTKPQWIYLIW-CABCVRRESA-N	247.426	4.636	0	10	BJAE	
CC(C)[C@@](C)(CCC(C)(C)C)CNC(C)(C)C	164421879	UOALZYNFDGQJBT-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)c1cc(C)ccc1C	166801825	OHMCZAPWKCICCS-UXLLHSPISA-N	245.410	4.520	0	10	BJAE	
CCC[C@]1(C2CCCCCC2)CCCCCN1	167807384	VPDVOEIUXHNMQH-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CC(C)(C)Sc1cnccc1-c1ccccc1	204947433	NQZOBJGIRUYUQQ-UHFFFAOYSA-N	243.375	4.639	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@H](C)c1ccccc1	214630847	RJJQPZHIBPSGBC-HYVNUMGLSA-N	245.410	4.552	0	10	BJAE	
CCCCCCc1cc2cc(C)ccc2[nH]1	221928796	MZBDNAKSODSARW-UHFFFAOYSA-N	215.340	4.599	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)CCCC(C)C)c1	229451463	KNHUWNVMDPZKHZ-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCC1(CNCCC2CCCCC2)CCCC1	233008633	IILIMZLFZBMDDE-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC[C@@H](C)Cc1c[nH]c2c(C)cc(C)cc12	233273747	ZJXCEMCUXRVJTH-LLVKDONJSA-N	229.367	4.763	0	10	BJAE	
CNc1cccc(-c2cccc3ccccc23)c1	234511850	QZPPITHZGCTLQB-UHFFFAOYSA-N	233.314	4.549	0	10	BJAE	
Cc1cccc2c(CC3CCCCC3)c[nH]c12	235921288	CKUXARYJHGRZQH-UHFFFAOYSA-N	227.351	4.599	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@H]1CC[C@@H](C)C1	251382673	WKIXYDMKMZUHKF-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CCCC(C)(C)C)CNCC(C)C	305900128	AQVYGOCWDMQMER-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
Cc1cc(C)c([C@H](O)C[C@H](C)CC(C)C)c(C)c1	305927841	JDDCREQWFGZNOZ-MLGOLLRUSA-N	248.410	4.718	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)CCC1=CCCCC1	308019710	IWPBLHANNOSJBD-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC(CC[C@@H](N)c2ccccc2)CC1	310990285	LCIKOCURXDTETM-MRXNPFEDSA-N	245.410	4.683	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNCC)CCC[C@H](CC)C1	317314716	TZWRDCCVOKELBF-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](O)(CCCCCC(C)C)C1CCC1	322266440	IWFYIHATDRAWTO-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CCC[C@@H](C)C1)NC	383486717	BSATWDAOUFYHED-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1	385212645	ZHZVDVJXAYSZRL-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(Cl)cc1OCC1(C)CCCC1	390603993	WZIMQYLYWVTKFT-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)CCCC	394581876	SYAYYPFSEGFUFH-UONOGXRCSA-N	214.393	4.534	0	10	BJAE	
Cc1cccc(CC(=O)CCCCCC(C)C)c1	394800659	DYMVQYSIGYITRV-UHFFFAOYSA-N	246.394	4.713	0	10	BJAE	
CCc1ccccc1NCC(CC)(CC)CC	395121892	LDJQVZOFNJUMKX-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CC[C@](O)(C1=CCCCCCC1)C1CCCC1	395699686	ZEWDYTKMAWPDOY-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCc1cc2c(F)cc(C(F)F)cc2s1	396223163	UYXBYCMUXPVKCL-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
Cc1ccc2scc(S)c2c1C(F)(F)F	396305507	OZAGYLNNMWNSJD-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCC(C)(C)C2CC2)C1	405847007	KMKOCLNUPCNELZ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCCCC1(CN)CC(C)(C)CC(C)(C)C1	688346007	FSQMWEWCMREGFN-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](N)c2cccc(C(C)C)c2)C1	688936601	BOVOINDLZKJVCS-XYPHTWIQSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H](C)CC1CCCCC1	689758096	ZNSBTGAZHVLODE-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CCC1(C(=O)C[C@H]2CC3CCC2CC3)CCCC1	691657734	LCXMQPAVGICPLB-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1ccc2sccc2c1	691863600	APYRNWPKWTZWSN-IAQYHMDHSA-N	247.407	4.727	0	10	BJAE	
CCC(C)(C)C[C@H](C[C@H]1CCC[C@@H](C)C1)NC	696247045	FMMSXIFRMWXGLY-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CN)C1CCCCC1	696848403	JTNDMDGPFQXWSF-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CC(C)=CCC[C@@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	697606279	BANDTUAFYVIUOR-IIAWOOMASA-N	238.415	4.556	0	10	BJAE	
C[C@H](CC1(N)C[C@H]2CC[C@@H](C2)C1)C1CCCCC1	697735001	QYOMNRKBXAKCCR-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CCCC1(C)C	697754928	GBOZLBIHNHVNLL-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCCCCCC1CCOCC1	697990909	GNDPGGXKUSBHAO-UHFFFAOYSA-N	224.388	4.720	0	10	BJAE	
CCCc1ccccc1OC1C[C@H](C)C[C@@H](C)C1	699505909	IDRLMIQBHJXVJC-ZIAGYGMSSA-N	246.394	4.843	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)c1cccc(C(C)C)c1	701567813	LZLAFLUVSNEKQR-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@H](C)C1CCCCC1	703963519	MYUHHUSKSBVKHF-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC[C@](N)(CCC1CCCCC1)[C@H]1CC1(C)C	704986498	XXTGYDFNYUCRKC-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@H]2CCC[C@@H]21	707809154	IBNMFLWDSDJRLT-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](NCCC)[C@H](C)CC(C)(C)C	708272192	DFCDQEMWBAJVND-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CC(C)(C)C)C1CC1	709107848	ZEVJKYWVZCBIQH-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@H](O)C1CCC(C)CC1)C(C)(C)C	711176235	DKOXXBPCTJKBIX-CVSAEHQPSA-N	240.431	4.636	0	10	BJAE	
C1CCC(CCCN[C@@H]2C[C@@H]3CCCC[C@@H]32)CC1	712392544	YGGRHQQGOSGQHS-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(N[C@H]2CC(C)(C)CC[C@H]2C)c1F	713065759	LARINMMGIXLTGT-RISCZKNCSA-N	249.373	4.761	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)[C@@H]1CCCCC1(C)C	713248501	FRSLOZUTOYZIIE-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CCC1(C(=O)CC(C)(C)C(C)C)CCCC1	713354982	GAXYUPXAEYZZKQ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCNC[C@@]1(CCC(C)=C(C)C)CCC[C@H]1C	718747815	MKMZBVDYUJZIIF-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCCCCC1(C)C	719261027	ORQCHKOWTDKGMQ-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCc1ccc(CC)c(NCCCCC2CC2)c1	720130168	NYPKZGJDEKCGHM-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CCCCCC(C)C	721701716	JKSSGANCUOMQCM-AWEZNQCLSA-N	228.420	4.780	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCCC3(CC3)C2)cc1	723568380	JJLLKFHRLAMGDJ-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
C[C@@H](C[C@H](O)CC1CC(C)(C)C1)CC(C)(C)C	723590597	WKELELVXEMKPNJ-JSGCOSHPSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](SCCc1ccccc1)c1cccs1	737406971	UPTIEWDZNUEQCB-GFCCVEGCSA-N	248.416	4.785	0	10	BJAE	
C/C(=C/Cl)CSC[C@@H](C)CC(C)(C)C	1559403508	TZIAXQSBTXCVMD-QBQSQJOESA-N	234.836	4.935	0	10	BJAE	
C=C/C=C/CCN1CCC[C@H]1CCC1CCCC1	1642285100	IRAVPCFLQTUZFH-IDOMTICXSA-N	247.426	4.554	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)[C@@H](C)CC(C)C	1905385123	ZOWFFHIJKJMLHB-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)c1csc(C)c1	1905448457	YOTVZNYKSMSGBX-GXTWGEPZSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H](CCC)C(C)C	1905453105	HBVZXFKLZOHALK-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
Clc1cccc2c1ccn2[C@@H]1CC[C@@H]2C[C@@H]2C1	1906478550	KPPUKBMFOADMMU-IJLUTSLNSA-N	245.753	4.656	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@@]12CCC[C@@H]1C2	1908425684	BEFUYZGLLZMVHC-LZWOXQAQSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(NC[C@@]23CCC[C@@H]2C3)c(C)cc1Cl	1909363994	SKVPFXSNPOBPPU-DOMZBBRYSA-N	249.785	4.559	0	10	BJAE	
CCC1(C[C@H](N)C2CC3(CCCCC3)C2)CCC1	1912643670	BKFKGZISOVPUDE-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H]1CN[C@@H]1CCC2(CCCC2)C1	1916400114	MWJODHGZOXDMFQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)[C@H](C)C1CCCC1	1924112081	PVCFUKSVIBBBKB-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCc1ccccc1CC[C@@H]1C=CCCCC1	1925876430	FJGYDWHZEFYEAX-OAHLLOKOSA-N	228.379	4.928	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)C[C@H]1C=CCCCC1	1925901598	MLLAGQIPGVKCPE-KBPBESRZSA-N	237.431	4.523	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)Nc1ccsc1Cl	1933236504	KLLCTDJAMKAYKH-UWVGGRQHSA-N	245.819	4.884	0	10	BJAE	
CC(C)(CCNC1CC1)CC1(C)CCCCC1	1940411815	YKBQNOJYINXERK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)CC1(C)CCCCC1	1940416161	PPMSHPRFCLAOEC-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CC(=O)CCCC1(C)CC1)C(C)(C)C	1940882262	IVAMFFAHKMPLPP-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@H](C)C(C)(C)C	1940882332	JIEFYRUUKJZDBD-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]([C@@H](C)CCC(C)C)C1(C)CCCC1	1942660405	LSDHRZSDKDUUOV-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@]12CCCC[C@@H]1CCC2	1944191122	ZPYQRPVJENVOCU-ARFHVFGLSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCCNC[C@H]1C=CCCC1	1947582500	SOCBZCCOKQJTDL-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@@H](N)CCC1CCCCC1	1948931379	XCNMIACPSNBWCH-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)C1(C)CCCCCC1	1949081263	JEGBPSAVXFOFGU-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC(CC(=O)CCC[C@@H]2CC2(C)C)C1	1949734580	RSVYWWGQUVDZEG-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
Cc1csc(C(=O)[C@@]23CCCC[C@H]2CCC3)c1	1950215706	SURHYNDOMMTIDR-SWLSCSKDSA-N	248.391	4.600	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CC12CCCCC2	1950604672	MKMZTQMFBIZBJV-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@@H]1CC12CCCCC2	1950668708	OIPSOGFWPOPCSM-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCCC(C)(C)CC1	1950918015	IENNEMMFVMLVNK-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@@H](NC)[C@H]1CCCC(C)(C)CC1	1950920381	UXPMOMDPQFJJCU-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2CC(C)(C)C2)CC1	1950921186	CUVSURVHGNXTDR-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCNC[C@@H]1CCCC(C)(C)CC1	1950921806	JIRSYOSQVHOUBC-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)NC[C@@H]1CCCC(C)(C)CC1	1950923690	VKPFEQHXRJNRGD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@]1(C[C@@H](C)CC)CCC[C@H](C)CC1	1950930585	PZJWZLVGYOJQCI-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
C1CCC(CNC2C[C@H]3CCCCC[C@@H]3C2)CC1	1965862583	UADPECHZHOADJJ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCC[C@H](C)CC2)C1	1965989667	YYOJUNZJCPIOQJ-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
C[C@H](NC1C[C@H]2CCCCC[C@@H]2C1)C1CCCC1	1967709470	YBANTRSFQHTHCP-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(OC[C@H]2CCCC(C)(C)C2)cc1	1968270190	IUHQEUNISFBGJN-AWEZNQCLSA-N	232.367	4.590	0	10	BJAE	
Cc1cccc(F)c1NCC[C@H]1CCC[C@@H](C)C1	1969466835	DPDYSKMNGHCCLG-TZMCWYRMSA-N	249.373	4.762	0	10	BJAE	
CCC(C)(C)c1csc([C@H]2CC=CCC2)n1	1976655502	UAYRMNHDLRUEJA-NSHDSACASA-N	235.396	4.654	0	10	BJAE	
CCCCCC[C@H](C[C@H](C)C(C)C)NCC	1988225962	GVXDXZUMZKJYBR-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](CNc1cccc(Cl)c1F)C(C)C	1988764366	LBEMFEDOLBPASE-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CCN[C@@H](CC(C)C)[C@@H](C)C1(C)CCCCC1	1995977199	ZZZPRHSLISZXBX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H](NCCC1CCCC1)C1(C)CCCCC1	1995989923	CHBPJLGOKKQBCJ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC[C@H](C)C(F)F	1996095661	WKPRGHAJFRPAPR-NWDGAFQWSA-N	248.357	4.699	0	10	BJAE	
CC[C@@](O)(C1CCCCC1)[C@H](C)CCC(C)C	1996547345	NSCOBYSMKPKIOC-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](NCCC(C)C)C1CCC(C)(C)CC1	1996594351	LOHLYHJBTZHTFT-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
Cc1ccsc1[C@@H](N)C[C@H]1CCC=CCCC1	1999987253	CYLVBSBQBMGINB-KBPBESRZSA-N	249.423	4.583	0	10	BJAE	
Clc1cccc(NC[C@H]2CCC=CCCC2)c1	1999995516	FXXHCZFLJGGARK-ZDUSSCGKSA-N	249.785	4.888	0	10	BJAE	
CCc1ccccc1O[C@@H]1CCCC(C)(C)C1	2000104862	HKEFLDWGXUYXRS-CQSZACIVSA-N	232.367	4.597	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)CC(CC)CC	2000510250	CTUPWGYULWDIBH-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002198839	ZSTPRLGLWOUJLF-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC([C@@](C)(N)C2CCCC2)CC1	2002924241	GUNBFNSLAMYLHL-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@]1(C)C=CCCC1	2003322573	RDDBBKBPNXCZJV-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@]1(C)C=CCC1	2003329912	OIYHSAUDNABDBW-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CCCC(=O)c1cccc(F)c1	2003666156	OEIDACPPADNABF-UHFFFAOYSA-N	236.330	4.615	0	10	BJAE	
CCCN(CCCCCC1CC1)C1CCCC1	2003818573	WGDSVUTWABMSJA-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC[C@]1(C)CCc2[nH]c3c(Cl)cccc3c2C1	2004347337	TYQXPMCUELFBCI-OAHLLOKOSA-N	247.769	4.726	0	10	BJAE	
Cc1cccc(N[C@H]2CCCCC23CC3)c1Cl	2005536146	KDTYSFOPNXQCLF-ZDUSSCGKSA-N	249.785	4.783	0	10	BJAE	
CC1(CCC[C@@]2(CN)CCCCC2(C)C)CC1	2005590583	WPSVQBMPXGGNQG-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)[C@@H](C)CC(C)C)CCC1	2006923395	SJCXVBPDSDDWMW-NUEKZKHPSA-N	237.431	4.536	0	10	BJAE	
C[C@H]1CC[C@@H](CC2CCC(C)(C)CC2)CC1=O	2006943012	CPWDBEPIAPMKJG-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCCCCN1[C@@H]1CCCC(C)(C)C1	2008103790	LHGPWYWCULHKIK-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CCN[C@@H]1CC[C@H](CCCC(C)(C)C)[C@@H]1CC	2009228246	JLERLQOUWCSGGW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(Nc2c(C)cc(C)cc2C)C1	2009297741	YDSIQQACNSRIQN-UHFFFAOYSA-N	231.383	4.602	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CCCCC(F)(F)C1	2009570001	VTMLJWKPKFXOQO-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
C/C=C/CCC[C@@H](O)C1(C)CCC(C)(C)CC1	2009590582	QNFNGFMSSFXELH-VBROQKIQSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@@H](N)C1CCC(CCC)CC1	2009635121	LGPLGBDQMRDHTF-KIPPPTPUSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2010705069	CXWVHZWHQPWUAC-KBPBESRZSA-N	237.431	4.523	0	10	BJAE	
CC[C@H]1CC=C([C@@H](O)C(C)(C)C(C)(C)C)CC1	2010726405	PNKGQMQXFRSXFO-GXTWGEPZSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC(=O)CC(C)(C)C1	2012083008	GAVNOCDSURELQV-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CC(C)CC1(N)CCC2(CCCCCC2)CC1	2013211101	GBABWDSWSJMIHR-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CC1CCC=CCC1	2013270930	NGPFXIIYWVOQNW-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@](C)(O)C1(C)CCCC1	2014324288	NYHIFOOIFYCGQW-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)[C@H]1CCC1(C)C	2014886012	VEVRHFNGPWXNMJ-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC(=O)[C@]1(C)CCCC(F)(F)C1	2014954490	MLYIYNRNNOLEQJ-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CC(C)C(C[C@@H](N)CCC1CCCC1)C(C)C	2015285599	XXRJHGYZFJTJEV-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(CCNC[C@H](C)C(C)(C)C)C(C)C	2015359256	CKRNXFSYQOGVEP-AWEZNQCLSA-N	241.463	4.577	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CC1(CC)CCC1	2015599901	TUYRSWJBCNHPPD-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1C[C@]1(C)CC1(N)CCCCCCCCC1	2016469267	WZVFRMOTNBGIIT-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(O)CC1(C(C)(C)C)CCC1	2017115290	WVOUWNCQKJBACM-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@H](C)NCC1(C(C)(C)C)CCC1	2017137402	WGUUSTNZSWSTPS-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](O)CC2CCC(CC)CC2)CC1	2017651353	SGQDMENZXBHOAS-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C)[C@@H](C)C[C@H]1CC[C@H](CC)CC1	2017730815	LFYKEILZIUSWNY-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@@H](C)CC[C@H]1C	2018074535	JRVVTPXEPPDVOF-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H](C)C2CCCCC2)CC1	2018975923	URQZZEOZZDSCAP-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@]2(O)CCC(C)(C)C[C@@H]2C)CC1	2018976176	VGVDYJIQQAJWMP-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CN(C)[C@H](C)CC(C)(C)C)C1	2019161363	NAWPJIYCYHIKEH-KFWWJZLASA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)CN(CC)CC(CC)CC	2019190601	MMXMCJSGMJLBDW-INIZCTEOSA-N	241.463	4.961	0	10	BJAE	
CC(C)CCCCCN(C)C[C@@H]1CCC[C@H]1C	2019340555	PGLLWTYMCMOPDO-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CCC[C@@H](C)CC1	2019382425	PEDGTMRFWJHDGW-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N1CCCCC12CCCCC2	2019386141	RJECOQNSDFZHGP-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@H]1C[C@@H]1C(C)(C)C	2022462549	AFRNIUITMRMJIL-ZQDZILKHSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C[C@H]1C[C@H]1C1CCCCCC1)C(C)=O	2022554617	PWHBEIVWUWLJLQ-KBMXLJTQSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC(F)=C2CCC2)C1	2023187176	OSANOKRIALAYSN-AAEUAGOBSA-N	238.346	4.570	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCCCCC(C)C	2023335872	KJMPJEFHHQFVMX-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
C[C@@H](CC1(C)CCCCC1)[C@H]1CC[C@@H](N)CC1	2023550894	RJTFNJYFLATHCV-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@H](C)[C@@H]1NCCC	2023998891	FIRGFEKFEVNGAR-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CCC[C@@H]1CCCC(C)(C)C1)NC	2024091068	FCYABGUSDUZDNT-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	2026073445	HOQXBINGCKIHQM-TTZDDIAXSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CCC=C(C)C)NC	2026165773	FASZHGVIGRBMTR-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CC1(CC[C@@H](O)c2ccc(C(C)(C)C)cc2)CC1	2027726090	NQVRRFRDWBCJHY-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CC[C@H](NCCCC1(C)CC1)c1cccc(C)c1	2027807368	FGHULVYKZDLCQH-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
Cc1cccc(-c2cccc(C(C)(C)C)c2)c1N	2028088643	GPGHDHCYAKTUKS-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C2(C)CC(C)(C)C2)c1	2029106991	WOMMAEBXSVYSJM-OAHLLOKOSA-N	245.410	4.636	0	10	BJAE	
CCc1cccc2ccn(C[C@@H]3CCC[C@@H]3C)c12	2032484607	SKFAKKGDBZFEJW-BBRMVZONSA-N	241.378	4.640	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2[C@H]3CCCC[C@H]32)cc1	2032784085	SUYITHDGJYICEF-FVQHAEBGSA-N	244.378	4.625	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)c1cccc(C(C)C)c1	2035416277	ZFQOKTWICAWLGG-WBVHZDCISA-N	245.410	4.564	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCCC[C@H]1C[C@@H]1C=CCC1	2035590612	KSMMEGQAGTXDOW-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC2CC2)CC12CCCC2	2036093705	AUNNTJJLGDNWRO-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC/C=C/CN[C@@H](C)c1ccc(C(C)C)cc1	2036762941	ISIQDVVYYIHYAQ-KIUWMYQTSA-N	245.410	4.817	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037593769	QFCDPEXUKMSRRQ-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NC2CC3(CCC(C)CC3)C2)cc1	2038939447	CFZLUZKOKDQOIZ-UHFFFAOYSA-N	243.394	4.766	0	10	BJAE	
C[C@@H](C[C@H](N)[C@@H]1CC12CCCC2)C1CCCCC1	2039077983	DMQRXBYVOQRKIH-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](N)[C@@H]2C(C)=CCC[C@@H]2C)CC1	2039436972	QWFYEJDZBOQESP-WMUVLYSMSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C1CCC(C)CC1)[C@]1(C)CC=CCC1	2042023806	FQCVRXPNOMLSLY-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCCCN[C@@H]1[C@H]2C=CC[C@H]1CC2	2042517609	UNIJNBLWURORAD-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC=CCCC1)C1(C)CCC1	2045325830	IRFSHZLLWXQEMY-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC1CC([C@H](C[C@H]2CCC=CCCC2)NC)C1	2045329123	LJJCSDHSALBFHI-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CC1(CC2(N)CCC3(CCCCC3)CC2)CCC1	2045665729	JWBBGXPCQIDEJM-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
C[C@H](N[C@H]1C=CCCCC1)[C@H]1CCCC(C)(C)C1	2049532475	LCFTVSBGKWWXLS-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@H]1CCC2(CC2)C1	2049851893	CPRLSJXJKNMPDU-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@@H](C[C@@H]2CCC3(CC3)C2)NC)CCCC1	2049855004	NBMOPOUTONJHRO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@]1(C)C=CCCC1	2050007523	QIAWJPAYZJTHFW-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)[C@@]1(C)C=CCCC1)C1CCCCC1	2050009724	NYXZWRSQLFNVRC-PBHICJAKSA-N	248.410	4.908	0	10	BJAE	
Cc1ccc([C@H](O)C[C@H]2CCCC(C)(C)C2)cc1	2050433102	WBJYMMWZSPRHBO-GDBMZVCRSA-N	246.394	4.635	0	10	BJAE	
CC1(C)CCCC[C@@H]1CN[C@@H]1C=CCCCCC1	2053383814	NAUZSIBUKHLCNQ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@H](O)C2(C)CCC(C)CC2)cc1C	2056559233	QLFAKZCQKMXAPQ-PTXATLKXSA-N	246.394	4.553	0	10	BJAE	
C[C@](N)(CC1CCCCC1)CC1CC(C2CC2)C1	2056636185	JHQUUYQENNJGIA-PREGVCBESA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)CC2CC(C3CCC3)C2)CCCCC1	2056644323	BCWCWNMLGGQDJW-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H]1CCC[C@H](C)CC1	2056871331	SBTSSRXNDGGHLV-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)C1CCC(C)(C)CC1	2056876810	ULTMCLAKSZBKBB-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C2(C3CC3)CCCC2)C1	2057607353	VGJJSZFNDIHIDA-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CC[C@@H]3CCC[C@@H]32)C1	2059390993	WLDJKUWHMFKVAW-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
CCCC1CC(N[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1	2059397834	NYZURCXRRIHBDX-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@](C)(N)CC2CCCC2)CC1	2061114022	UUSMPRODCPGHDB-NVXWUHKLSA-N	249.442	4.667	0	10	BJAE	
COc1ccc(CCCC2CC(=C3CC3)C2)cc1	2061718084	HDHGSVAIHOQCEL-UHFFFAOYSA-N	242.362	4.518	0	10	BJAE	
CCCC1(C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2063421160	ZNLSGSGIACAJOS-QKDCVEJESA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@@H]2C[C@H](N)CC3(CCC3)C2)CC1	2063637245	DJVKDKDJPPHMHR-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC12CCCC1CCC2	2063906190	TUEMYAOHZUZMBW-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
NC[C@@H]1CCCCC[C@@H]1CC12CCC(CC1)CC2	2065337374	ACNQHBUCIFGXQD-GMRIPVOYSA-N	249.442	4.502	0	10	BJAE	
CC(C)CNCCC=CCC12CCC(CC1)CC2	2065339661	NYSVSRIGUJEUPI-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCC=CCNC(C1CCCC1)C1CCCC1	2065936696	OZCZSKYOLHEESS-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(CCC(C)C)c1cccc(C(C)C)c1	2065993257	QYNPTHIWWPVLES-KRWDZBQOSA-N	247.426	4.810	0	10	BJAE	
CC1([C@@](C)(N)CC23CCC(CC2)CC3)CCCC1	2067530923	VHMWTKRUYFILRX-WIHSUSGWSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC12CCC2)CC1CCCC1	2069172827	CZADQUKDONRBLD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)c2ccc(C)c(C)c2)CCC1	2069269264	ZXWJRAFAJYJRFQ-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H](C)C1CC=CC1	2070809784	CVUWIXVHNQRUKW-YOEHRIQHSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)C1(CC2(N)CC3(CCCC3)C2)CCC1	2071941573	VJIQOQQEGZTVMP-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(C[C@]2(CN)CC=CC[C@@H]2C)CC1	2072799132	PNGXPNGKOULPBA-OTBWCIGPSA-N	249.442	4.524	0	10	BJAE	
CCCC1CCC(CN[C@]2(C)C=CCCC2)CC1	2072801917	RYFAYRSXQASDCY-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@@]12CCCC[C@H]1C2	2074045619	GEQGTUSMRQNFEN-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
O[C@@]1(CCC2=CCCCC2)C=CCC2(CCC2)C1	2075711130	WOBIQSAKEVWAFF-QGZVFWFLSA-N	246.394	4.518	0	10	BJAE	
C[C@H](N[C@H]1C[C@H]1C1CCCCCC1)C1(C)CCC1	2079530671	RIOVIECRWVKVLY-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@H]1C1CCCCC1)C1CCC1	2079838531	JZDLGAHQPJJFJP-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
Fc1cc(-c2cccs2)ccc1C(F)(F)F	2080300598	RMQSACNGUNBDEP-UHFFFAOYSA-N	246.228	4.573	0	10	BJAE	
CCc1ccccc1[C@H](C)NC[C@H](C)C(C)(C)C	2081209549	QXOIGSBGSACKHT-KBPBESRZSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1[C@H]2CCCC[C@H]21	2081774224	GORAUSMRIDRYKB-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCC[C@H](C)[C@H]1C	2081947845	XFLDTSALHKDHER-YWPYICTPSA-N	249.373	4.625	0	10	BJAE	
CCc1cc(F)ccc1NCC1CCC=CCC1	2081954361	FBAVSHSORVVDHN-UHFFFAOYSA-N	247.357	4.546	0	10	BJAE	
CC(C)(C)CC(=O)c1ccc2c(c1)CCC2(C)C	2082269808	MLVMXBUXBSHYQU-UHFFFAOYSA-N	244.378	4.529	0	10	BJAE	
CC(=CC1CC(C)(C)CC(C)(C)C1)[C@H]1CCCN1	2082984390	ALTHQTDIGUCSPL-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](C)(CN)CC1CC2(C1)CC1(CCC1)C2	2083617348	LJVJQYGTAYRQHC-OAHLLOKOSA-N	249.442	4.502	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(N)CC(C)(C)C2(C)C)CC1	2084335724	MUMWMUDBMXOMFI-DYVFJYSZSA-N	249.442	4.523	0	10	BJAE	
CCC1CC(CCN[C@H]2CCCCC23CCC3)C1	2084917275	YEYMCIXNYWWAFX-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@@H](CC1(C)CC(C)(C)C1)NC	2215397014	YXNQCCMFMNEYAT-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CC1(C)CC(C)(C)C1	2215442731	UKPDYHHESBORTM-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CC1=CC[C@](CNC(C)(C)C)(CC(C)C)CC1	2215839709	LRGFFAZZCGYRLS-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
O=C(CCCC(F)F)C[C@@H]1CCC=CCCC1	2216414473	UOQWTQWYYPTAEC-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
CCCCC[C@@]1(CNC2CCC2)CCC[C@H]1C	2217124861	KXQDSLAKVRQHHM-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC=Cc1ccccc1	2219067330	SYAQCQWRKRMWLE-DLBZAZTESA-N	246.394	4.667	0	10	BJAE	
C(=C/c1ccccc1)\Cc1ccccc1C1CC1	2219073445	HKBHICMYAJCNRH-RMKNXTFCSA-N	234.342	4.820	0	10	BJAE	
CC[C@@](O)(CCCCC1CC1)c1ccc(C)cc1	2220041448	QAQLHNPMOZQLFE-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)c1ccc(C(C)C)cc1	2220879546	VMIPEWLXEMCZDN-COXVUDFISA-N	245.410	4.636	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@@H]1CC)C1(C)CC=CC1	2220883235	ZQEHHTWWJFVIGL-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC2(C)CC3(CCC3)C2)C1	2220937484	YACVFIVBDVSDNL-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(C[C@H](N)CC2(C)CC3(CCC3)C2)C1	2221039621	KAJNLJXMRKOSGW-NRXISQOPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CC2(C)CC3(CCC3)C2)CC1	2221085883	KTEDVVGYLPEZHK-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@](C)(CN(C)[C@H]2CCCC[C@@H]2C)CC1	2221603888	IUCGWFKHFRNJSL-ULQDDVLXSA-N	249.442	4.633	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@]23CCCC[C@@H]2C3)CC1	2221644795	VFKMLRHYPGTHKH-HYVNUMGLSA-N	246.394	4.662	0	10	BJAE	
CCc1ccccc1C(=O)[C@]1(C)CC=C(C)CC1	2221645694	ZKZWYXKUIXNAFL-QGZVFWFLSA-N	242.362	4.568	0	10	BJAE	
CC1=CC[C@](CN)(CC2C[C@@H](C)C[C@H](C)C2)CC1	2221662672	IFAGARVXLLULDP-YQQAZPJKSA-N	249.442	4.524	0	10	BJAE	
O=C(CCC1CC1)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222954904	OFSMZNZINQHHNX-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
FC(F)[C@@H]1CCC[C@@H]1CCC1=CCCCC1	2244084701	PZHCWSAJXYTYPM-CHWSQXEVSA-N	228.326	4.948	0	10	BJAE	
CC[C@H](CC(=O)CC1(C)CC(C)C1)C(C)(C)C	2246555888	GYJMRQMYMLEMOB-MFOWVQHXSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C)[C@@H](O)CC[C@H]1CCCCC12CC2	2246623090	JMFLHBTXBLHBFQ-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)C1CCCCCC1	2247158957	KAEXJOQZQIQDME-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)c2ccc(C3CCC3)s2)C1	2250280402	SSVRPBXCZBLOHW-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
CCC[C@@H](CC)CNc1cc(C)c(C)c(C)c1	2250392297	LRBHPRSRLUIDNE-OAHLLOKOSA-N	233.399	4.850	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1(N)CC2(CC2)C1	2250469118	LFXWWEYARHQFQY-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@H](CC[C@@H](C)CCCC(C)C)[C@@H]1N	2250481556	NDWCSTXDWYXAPD-CWRNSKLLSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNCCC(C)(C)F	2250494808	DHYMHIAAMOSAOB-CQSZACIVSA-N	245.426	4.567	0	10	BJAE	
CC[C@@H]1C[C@@H]1C(=O)CC[C@@H](C)CCCC(C)C	2250514623	QZHHGBPTGNBVCT-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
C1=C[C@H](CC2C3CC4CC(C3)CC2C4)CCC1	2252678474	UYPRDALVEACGKM-CNSOWSRNSA-N	230.395	4.805	0	10	BJAE	
CC(C)=CCCc1ccc2cc(Cl)ccc2n1	2252701147	NKGLCAFGYWQDOY-UHFFFAOYSA-N	245.753	4.787	0	10	BJAE	
CCc1cccc(NCC[C@H]2CCC[C@H](C)C2)c1	2253968062	IGVNOIPPVZKEEM-GOEBONIOSA-N	245.410	4.877	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C1CC(C2CCC2)C1	2254592388	NKLNOTFDYPRHDZ-WHPGWMBPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(CN)CCCCC12CCC2	2254838762	PFVBRXCIIVRDQJ-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@]1(CN)CCCCC12CCC2	2254838764	PFVBRXCIIVRDQJ-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](CC2=CCCCC2)C1	2255092223	SCRLNLVEAWGGOK-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)CC1=CCCCC1	2255136905	OUQMBEKSHYBWEW-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
c1ccc2c(c1)ccn2CC[C@@H]1CCCC12CC2	2255235806	LTFDZNVQXZIRKK-HNNXBMFYSA-N	239.362	4.612	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)CC[C@@H]1CCCC12CC2	2255311098	PXDLPODNHYJMNP-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@](N)(CC[C@H]2CCCC23CC3)CC[C@H]1C	2255333607	WTPPNIRFAYRTID-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CC(=CCCCC[C@@H]1C[C@@H]1C)c1ccc(N)cc1	2257253987	FCTLUGAQNWHJFE-GOEBONIOSA-N	243.394	4.889	0	10	BJAE	
CC(C)CC[C@H](C)Oc1cccc2c1CCCC2	2257472239	WZAZOVBKHKCKGA-AWEZNQCLSA-N	246.394	4.769	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cc2cccc(F)c2o1	2259437340	KRFVNFPCUHQVAH-JTQLQIEISA-N	248.297	4.581	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@@]23CCC[C@H]2CC3)C1	2260522738	YEOJJNZVDAZXLI-SOXILONMSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CC(=O)c1cccc(C2CCCC2)c1	2260655361	PKLAVHVVZVSHNM-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(C[C@]23CCCC[C@H]2CC3)C1	2260677714	HDKVCGFSYLVVCX-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC[C@@H]1C[C@@H]1CC	2298127776	IWDVMOXGPPMQLT-QKPAOTATSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2298723052	XLUOZHTWUJWVIP-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)[C@@H](C)CC1CCC1	2298908678	RKLDGTWVPBFYRF-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC[C@](C)(C(=O)CC(C(C)C)C(C)C)C(F)F	2299833672	QGDQDXKMYOLTRZ-CQSZACIVSA-N	248.357	4.555	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@](C)(CC)C(F)F	2299921647	GLWFHYMWYYUFLG-GXTWGEPZSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@]1(C)CC=C(C)CC1	2300681997	UYCYZHGMLBQGIQ-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC(=CCc1cncc(F)c1)CCCC(C)C	2300865547	OSNFZRYNSRFUFL-UHFFFAOYSA-N	235.346	4.536	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1CC(C)(C)[C@@H]1C	2302136396	SEVLXCUQOCFZMB-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CC(=O)c1ccc(SC2CCCC2)c(C)c1C	2302265634	VQEFETXAPQJMIM-UHFFFAOYSA-N	248.391	4.541	0	10	BJAE	
CCC(CC)[C@@H](CCCC1=CCCCC1)NC	2302357097	UVRQPXOXGDONEI-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)C1(CC[C@H]2CCCC[C@H]2N)CCC1	2302660054	FDWWIVZBBNXGLD-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CCNC(C)(C)C)C[C@H]1CCC(C)(C)C1	2302759976	DFWFFZBZKDHEFL-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H]2CCC2(C)C)CC1	2303584691	RLZDKHGYHIJIBB-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CC)CC[C@H]1CCC(C)=C(C)C1	2303584809	SHJKRPVYCHXJSV-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCCc1ccc(CC(F)(F)F)cc1	2307625310	HXSSNHFIWUHPFJ-NSCUHMNNSA-N	242.284	4.690	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@H]1CC[C@H](C)C1	2307819825	QCXAHCZKQLDDDY-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC[C@](C)(O)c1ccccc1	2307821942	JWLBPKDRYVTESK-HOCLYGCPSA-N	234.383	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@@H]1C=CCCC1	2307909707	LERRDAUZEIMXDN-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1C[C@@H]2CCC[C@H]2C1	2307911228	TWOPOEIHHRCQDO-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@H](NCCCCC1CC1)C2	2308401495	WUPFUTCBUYCVDM-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1C[C@@H]2CC[C@H]1C2	2308574362	MHQGLVNGDKPEED-WWGRRREGSA-N	243.394	4.585	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2308581068	DLNIIBRQVTUGAX-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1	2309170754	BAJRRSPAJZNYBU-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309187858	YFTWQSXGOJWHPV-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(CC(=O)C[C@H]2CC[C@@H]3C[C@H]23)CCC1	2310985889	KQXUDUKLZORYKI-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1C)[C@@]1(C)C=CCCC1	2312457267	WDZUIJBEARQPGX-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2313292050	HPFLYQRVCZIVLF-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]([C@H](C)CC1CCC1)C1(C)CC=CC1	2313579750	FHQVFCBTWWSGAM-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)c1ccc(C)c(CC)c1	2314710572	FSCFFUYXTUABNQ-INIZCTEOSA-N	247.426	4.644	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cccc(C2CC2)c1	2316247734	HXOSPMDBQJLVLT-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CCC(CC)CCC(=O)c1ccccc1C1CC1	2316275379	LWXRQKCSYZMZJB-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CC[C@@H]2C[C@@H]2C1	2316503732	RAUOOCAYOLBCOR-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@H](N)[C@H]1[C@H]2CCC[C@H]21)CCCC(C)C	2316505147	XQQJXCYMWBMFBO-YVSFHVDLSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@H](N)CCC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317148429	MDNRJWNVTRRDOB-KLHDSHLOSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cc(F)ccc2C(C)C)C1	2317914237	ABOIGVWTUQUQML-OCCSQVGLSA-N	249.373	4.940	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CCCC2=CCCCC2)C1	2318572441	FJOKPOOMGAHEAY-WBVHZDCISA-N	247.426	4.731	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)C1CC(C)(C)C1	2318582669	GIZRDGYLFLLRND-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CC1CCC2(CC1)CC2	2318938526	KVOQDIGJDNQTKF-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CCc3cc(N)ccc32)C1	2319136103	RVXBIFPQPVSFFB-QWHCGFSZSA-N	243.394	4.515	0	10	BJAE	
CC(=C[C@@H]1CCC(C)=C(C)C1)C[C@@H]1CCCCN1	2320349005	VWSURNUCPHSMCY-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@@H]2CCC[C@@H]2C)c1	2320514795	INCYFEXTQZOPPA-JLJPHGGASA-N	245.410	4.636	0	10	BJAE	
CC[C@@H](C)N(CC)Cc1cccc(C2CCC2)c1	2320621732	XTURYRXHIYDIJD-CQSZACIVSA-N	245.410	4.575	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)CCCC23CCC3)C1	2321603480	SFOXOKDPISOTGZ-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
Cc1ccccc1N(C)CC[C@@H]1CCC(C)(C)C1	2321642168	LQMYVSIOZZDVHH-HNNXBMFYSA-N	245.410	4.648	0	10	BJAE	
CCC[C@@H](C)Nc1ccc(Cl)cc1Cl	20019331	YRUHRUWFFXNIND-MRVPVSSYSA-N	232.154	4.594	0	10	BJAE	
CCC[C@@H](C)CNc1ccc(C(C)C)cc1	21052602	AXDPILFIZDLQBH-CYBMUJFWSA-N	219.372	4.658	0	10	BJAE	
CCC(=O)c1ccc(-c2cccc(C)c2C)s1	36927402	JBYIMHFQXQMZFW-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
FC(F)(F)c1cc(=S)c2ccccc2s1	43464901	JYMVBUVOIUAHQL-UHFFFAOYSA-N	246.278	4.650	0	10	BJAE	
CCCC(=N)Nc1ccc(-c2ccccc2)cc1	62989538	UVUVUNFQCJZBEU-UHFFFAOYSA-N	238.334	4.543	0	10	BJAE	
Fc1c(C2CCCCC2)cccc1C(F)(F)F	75841113	ILENCZVKOXCOSY-UHFFFAOYSA-N	246.247	4.892	0	10	BJAE	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(C)(C)C	82628080	NYIGBIZUMXOQLA-SNVBAGLBSA-N	238.758	4.595	0	10	BJAE	
CCC1CCC([C@@]2(O)CCCC[C@H]2CC)CC1	85078110	AJKJFDSIRBULQQ-GYTBAZASSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C2(N)CCC(C)(C)CC2)CC1	85078594	QCBRRSVKFOMPCX-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(O)CCCC(C)(C)CC2)C1	86920335	TVVKUTSKCTUBIS-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(c2cccc(C)c2)CC1	86951363	JMWSXDRLAPLPGS-WBVHZDCISA-N	246.394	4.563	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)C1CCC(C)(C)CC1	87943143	RZYDPGYGHQVTDR-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H]1C[C@H](CC)CC[C@@H]1NCC	110446015	CLNQNVUFNQWVKG-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)c([C@H](C)N[C@@H](C)C(C)(C)C)cc1C	122551399	BQMZAJLWJDLWPW-GJZGRUSLSA-N	247.426	4.697	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Oc1cc(C)ccc1C	130382955	UTPIOPNTFWNSOG-GJZGRUSLSA-N	232.367	4.651	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCC(C)(C)C[C@@H]2C)c1	155851450	XRIMDGRSXJXYRR-GXTWGEPZSA-N	249.373	4.761	0	10	BJAE	
CCc1ccc(-c2c(F)cccc2Cl)cc1	160401709	QUIPDXLKPFJYAI-UHFFFAOYSA-N	234.701	4.709	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)c1cccc(C)c1	161356476	SIECGZWGDRWBOC-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
C/C=C/CCN[C@@H](CC(C)(C)C)c1ccccc1	161688216	WIXGAWVUYZTTDU-JFDDCEBESA-N	245.410	4.720	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C[C@@H](C)CC	162416543	RNBAKKCWJKHNOF-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccc(C(C)(C)C)cc1	163734346	BHMIFCJSLIOIOM-CJNGLKHVSA-N	245.410	4.975	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C(CCC)CCC	167100158	FCTUYWWIWYMZND-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CSc1cccc(N[C@H]2CCC[C@@H](C)[C@@H]2C)c1	221606901	ZJFNQKYVMCSBAC-XUJVJEKNSA-N	249.423	4.645	0	10	BJAE	
CCC[C@H](C)CC(C)(C)[C@H]1CC[C@@H](C)C[C@@H]1N	222553952	SYCODYXBFUMBSF-QPSCCSFWSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CCC)NC(CCC)CCC	226004340	CIEDGFJFJXBEMA-HNNXBMFYSA-N	227.436	4.904	0	10	BJAE	
CCC(CC)CC(=O)C1(CC(C)C)CCCC1	229445867	COPHGDXYMGWOFR-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)CC1CCC1	229699455	NETSUSVCJOVLLU-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C(C)C)C2)cc1C	230985999	LUMPAENLBOEISA-HOTGVXAUSA-N	245.410	4.930	0	10	BJAE	
CCCC[C@@H](CC)COc1cccc(C)c1C	232987181	VIHQODGVRGVLTI-OAHLLOKOSA-N	234.383	4.899	0	10	BJAE	
CCC[C@@H](CC)NC[C@H](c1ccccc1)C(C)C	233286767	XVOTYFXJOKOKHW-SJORKVTESA-N	247.426	4.595	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H](C)c1ccccc1	233592893	LVNOMFTZIUKELX-NVXWUHKLSA-N	247.426	4.595	0	10	BJAE	
N[C@H](C[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCCCC1	250838900	LLFPQGGXRLORPU-QSPRXWTASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1	251392097	WSWPPJOZVFRJDP-RPCCPQHDSA-N	243.394	4.801	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1Nc1cccc(Cl)c1	252154960	NCPWXCDYIKTKJQ-UHIISALHSA-N	237.774	4.577	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@H](CC)c1ccccc1	253051138	UYRPQYQIISRJOR-UAGQMJEPSA-N	247.426	4.595	0	10	BJAE	
Cc1cc(C)c(C)c(-c2nc(C)c(C)s2)c1C	259364179	QUUANZDHYCOYOZ-UHFFFAOYSA-N	245.391	4.661	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)NC(C(C)C)C(C)C)c1	302592153	GWIDWNGOLBNNBO-OAHLLOKOSA-N	247.426	4.635	0	10	BJAE	
Cc1ccc2ccn([C@H](C)c3ccccc3)c2c1	305668851	MTISKLACBIGAGE-CQSZACIVSA-N	235.330	4.559	0	10	BJAE	
N[C@H](CCC1CCCC1)C1CCCCCCC1	305898349	UYDIOXNADMAXPU-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H]1CC[C@@H]1C	310320088	WJRWURNPJIGDER-GOEBONIOSA-N	239.447	4.904	0	10	BJAE	
Cc1cscc1N[C@@H]1CCCC12CCCCC2	313100289	GUTPNSDFUOZNTM-CQSZACIVSA-N	249.423	4.971	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCCCC(C)(C)C	313281038	KFPQPWIVWUJENG-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@]1([C@H](C)CCC)CCC[C@@H](C)C1	317818482	YPPYOEUGAFUNHI-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)[C@@H](C)C(C)C	383649878	HGFUONOANJNBLK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1CCCC[C@@H]1C	384585061	YBJQLNOODDUKMY-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(C(C)(C)C)cc1	385358261	IMZVRXAQCWAPNM-CYBMUJFWSA-N	246.394	4.993	0	10	BJAE	
CC(C)NC[C@H](C)[C@@H](C)c1ccccc1C(C)C	386320165	KSEWMKAUKZNXKV-LSDHHAIUSA-N	247.426	4.548	0	10	BJAE	
C[C@@H](Cl)/C=C\c1cccc(Cl)c1Cl	388921902	RWGASIGTZDWOCT-KXTMECRCSA-N	235.541	4.634	0	10	BJAE	
Cc1cc(Cl)cc(-c2cccc(F)c2F)c1	393800801	RXOZKZZWHKGJPT-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CCCN[C@H](C1=CCCC1)C(C)(C)C(C)(C)C	393852830	OAZKEBKFNVMQHW-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CCC1CCCC1)c1c(C)cccc1C	394124613	AOMUETRBEQHRDE-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
O=C(CCC1=CCCCC1)C1CCCCCC1	395329669	FEGRZEHTKLXRSP-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
COc1csc2c(Cl)ccc(C(F)F)c12	396295439	UADGQWQDMWCFGC-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1cc2ccsc2c(F)c1C(F)(F)F	396300257	OPMOTYMUHQJSNM-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1cc2ccc(C)c(C(F)(F)F)c2s1	396306988	QMPAVWMYYGAASO-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCC[C@@H](CC)Nc1cncc2ccccc12	396512901	HIWZBWQOAVUBMO-CQSZACIVSA-N	242.366	4.616	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2cccc(F)c2C)C1	398994661	JMWFHQAVUVZGAQ-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H](C)c1cccs1	441187700	HQPQZLHECSQFST-GFCCVEGCSA-N	239.428	4.567	0	10	BJAE	
CCC1(CNc2ccc(Cl)cc2Cl)CC1	687536660	DRPLTLUIOMBYRN-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1cccc(C2CC2)c1	690161723	ZBPAFDFUHJUSKJ-BLLLJJGKSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1CCC12CCCC2	693793042	VEHYCVWXWYIWIE-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCCC(CCC)[C@H](N)CC(C)(C)CC(F)F	694086515	ICBDEAWKVJRDDW-GFCCVEGCSA-N	249.389	4.602	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C1(C(C)C)CC1	697558980	OYZFFGMURNKSCW-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCNc1cc(Cl)ccc1Cl	697772732	ULXHAOGWJCMDRQ-UHFFFAOYSA-N	244.165	4.762	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCCCC[C@@H]2C)CC1	704926269	GCKSDDAOFVDRIA-GRAKBVBRSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)[C@]1(C)CC1(C)C	705305207	HRZYPGJRRWJBNJ-RDJZCZTQSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1C[C@@H](N[C@H](C)CC(C)(C)C)CC(C)(C)C1	708873181	OYIZPRCEPNVTTH-BFHYXJOUSA-N	239.447	4.616	0	10	BJAE	
CC(C)C(C)(C)CCC[C@@H](O)c1ccccc1	713217086	JMPVPSQEHZINNX-OAHLLOKOSA-N	234.383	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H]2CCCC[C@@H]21	714306365	YTANDWUNPSKFEK-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC1CC(C2CC2)C1	714626338	NPGFBTASBMIUMO-AQFXKWCLSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H]1C[C@H]2CC[C@H]1C2	718531947	YHHPGIFSCSIMFB-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@H](O)c1cscc1C(F)F	720229565	DDJJNIGTYAZMKL-LLVKDONJSA-N	248.338	4.690	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCC2(CC2)C1)C1CCCCC1	723600561	IRMLUHUIXDFPCW-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
Cc1cc(Cl)c(N[C@H]2CCC[C@@H]2C)cc1C	1181919684	ICBWHVLLEXUCPW-ZANVPECISA-N	237.774	4.557	0	10	BJAE	
CCCC(CCC)SCC1(C)CCC1	1188683202	FEBAGQLPOOJSIU-UHFFFAOYSA-N	214.418	4.879	0	10	BJAE	
CCC[C@@H](N[C@@H]1C[C@H]2CC[C@H](C2)C1)C1CCCC1	1206246987	COMKCQYSBXABAF-YQFWSFKMSA-N	249.442	4.514	0	10	BJAE	
Cc1c(F)ccc(CC[C@H]2C=CCC2)c1Cl	1901174593	PVTSWPNJWZKTIP-NSHDSACASA-N	238.733	4.686	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H](C)C(C)C)c(Cl)c1	1901708761	KOYQSCXGANEWKI-VXGBXAGGSA-N	239.790	4.741	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)C(CC)CC	1905433443	GSJVVYMUSQNJQK-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(N)C2CCCC2)CC1	1909702702	DTRGDMKDOLBWCQ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H]1C[C@H]1C(C)(C)C	1910761087	DSRAHGRRHTUEPZ-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CC(C)NC[C@@]1(CCC2CCCCC2)C=CCC1	1916336896	HRXORLZUEHZHJG-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc([C@@](C)(O)C(C)(CC)CC)cc1	1920032113	YZUYXEVJVUOQDP-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@](C)(CN)C1CCCC1	1924093450	QHYMPSURUFHBIU-XJKSGUPXSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)C[C@@H]1C=CCCCC1	1925888441	GOEUUJRQCTWDOU-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)C[C@@H]1C=CCCCC1	1925901604	MLLAGQIPGVKCPE-ZIAGYGMSSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(C)CC(=O)CC1(C)CCCCC1	1935604931	XDMKXWDPFZIDTA-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)c1csc([C@@H]2C[C@H]3CCCC[C@@H]32)n1	1936498739	AIZITLPVJIIHFD-GRYCIOLGSA-N	235.396	4.560	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CCCC(C)(C)C	1939034179	RNPSWJFNMVQIIA-DZGCQCFKSA-N	228.420	4.636	0	10	BJAE	
C[C@@H](CC(=O)CC[C@@H]1CC1(C)C)CC(C)(C)C	1940854651	ZKXAFDKLHDWRGJ-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C12CCC(CC1)CC2	1942653546	RKRHIIMMSPYUDZ-VQCLRJIVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H](C)CCC(C)C	1942663425	ZPGQLSBLWZKFJC-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@]1(CNC)CCCC1(C)C	1944476214	VELFTOKZRKMSJN-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)C(C)(C)C1CCCC1	1944621985	ITUDYDXETQMMGT-UKRRQHHQSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C(C)(C)C1CCCC1	1944639239	CPLRJNXFPXKXGZ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@H]2CCCC[C@@H]2C1=O	1946357382	PMKYIQSJEKMZEF-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(O)CCCCCC1CC1	1947525928	PSWKGVLQNBKPOW-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](O)(C1CCCC1)[C@@H]1CCC(C)(C)C1	1949420300	FGBAUBDSSMRPCT-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC(C)(C)[C@@H](N)C1	1949651375	ATSKKDCWEWUSTR-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC[C@@H](C)CC)CC1CCCCC1	1949923448	QQPCYSFBYINBLD-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](Nc1ccsc1)C1CCCCC1	1958170167	PXWSZWSGOFKADC-ZDUSSCGKSA-N	223.385	4.519	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CC[C@@H](C(C)C)C1	1963228995	OEFIEZWWTKUXQP-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(NC2C[C@@H]3CCCCC[C@H]3C2)C1	1966053216	NYIYCHORCQZTGK-JCAIJIATSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)c1	1968340289	VXAUNLUXTWPVJZ-VWPFQQQWSA-N	245.410	4.732	0	10	BJAE	
CCCc1ccc(CN(C)[C@H](C)C(C)(C)C)cc1	1969040279	RGNGMDBKDLZQSV-CQSZACIVSA-N	247.426	4.506	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)c1cc(C)cc(C)c1	1969367602	UUKNSUGQYNDOGO-NVXWUHKLSA-N	247.426	4.923	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CC=CCC1	1976667950	LFTRSYZEJMGIHL-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
CCC(C)(CC)C[C@H](O)c1ccc(Cl)cc1	1980679720	BVVDWYTUNIVHRA-ZDUSSCGKSA-N	240.774	4.590	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCC[C@@H]1C	1990093090	HJLJMXVYUYTKTD-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@H](C)C(C)(C)C	1990123893	REXOHKQFCLOSLL-UONOGXRCSA-N	227.436	4.569	0	10	BJAE	
CC[C@H](C)CCN[C@H](C)C1CCC(C)(C)CC1	1996550198	XXBYRQSCHKZINI-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@]1(C)CC=CCC1	1997550519	GKYNAHYGSXMDDT-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C2CCCCCC2)C1	1998234136	DIBQTABPPXFFHR-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC[C@H]1CCCC(C)(C)C1)NCC	2000161320	DTLJXDSWRXDJHL-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)c1cccc(Cl)c1	2000294321	RGDCERBNYKBIDU-SMDDNHRTSA-N	248.753	4.515	0	10	BJAE	
CCNCC(CC)(CC)[C@H]1CCCC[C@H]1CC	2000499688	MWNMHDXADXMYPC-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CCC[C@@H]1CC1(C)C)CNC	2000513840	LPLMYMYZOZECHP-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@]1(C[C@@H](C)CC)CCCC(C)(C)C1	2002989788	CDMHORFUQPBXOO-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
NC1(CCCC2CCC2)CCCCCCCC1	2003101330	UJKMDZAABJFPCN-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CC1(C[C@H](O)CCC2=CCCCC2)CCCC1	2003177567	UTILGDHRUYONFU-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CC1([C@H](O)C2=CCCCC2)CCCCCCC1	2004920131	HEVZJCJYTFPKBK-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CCCCCCNCC1(C)CCCCCCC1	2004937253	MPGUQYWKUXGDOP-UHFFFAOYSA-N	239.447	4.907	0	10	BJAE	
CC(C)CCCCCC1(N)CCC(C)(F)CC1	2005897427	UMJXRXLIQWXNEQ-UHFFFAOYSA-N	243.410	4.593	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)C(C)(C)CC	2007812670	PAQRGCCADLWNRS-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@H]1CCC(C)(C)CCC1=O)C1CCC1	2009412212	WFJPOCBEXQWXOP-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H](CC1CCCC1)NCCC	2009616799	MDKZWHPROQZRGF-LLCTXKFZSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(O)([C@H]2CCC[C@@H](C)C2)C1	2009715569	GWNUSQYSCTXSQY-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@](CC)(CNCC(C)C)C(C)C	2012408401	FEFMPGMZWIDNHS-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
C[C@]12CC[C@H](Nc3cccc4ccsc34)[C@H]1C2	2013056973	HNDJRYOGBKCRPA-TYNCELHUSA-N	243.375	4.502	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@@H]1CCC[C@H](C)C1	2013265154	UETXDOHUSFZXTM-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)[C@@H](C)CCC(C(C)C)C(C)C	2015338197	HSEHIQWKXHTHRQ-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@]2(O)CCCC[C@@H]2CC)CCC1	2015639371	GMLQQQIUFCQUQJ-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC1([C@@H](O)CCCCCC2CC2)CC1	2015749029	KRUCDNRLWFHKMZ-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)C[C@H]1CCC=CCCC1	2016237269	MEQAFEASFRKLLW-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C1(C(C)(C)C)CCC1	2017133629	VCSJQGGRTZPOTG-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(O)CC(C)C)CC1	2017650434	GZVUTMOLIJGEJO-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC[C@]2(C)O)CC1	2017711804	IBQFEMKBKRPAFC-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CC[C@@H](C)C2)CC1	2017720121	FOGJRXOCIFASKX-PRLABOORSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@H](C[C@H](C)CC)NC)CC1	2017720566	HODVPCBCPMHLRH-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)CCC1CCC(CCC)CC1	2017729708	ZNZGASHSQQPBSN-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](CCC[C@H](N)C(C)(C)C)CC1	2017735215	UMYOJISOCGXYGP-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2CCC2(C)C)CC1	2017774162	LADHFLKWTURTQV-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@@H](C)C(C)(C)CC)C1	2019199869	MVLOTKDBARURSC-RRFJBIMHSA-N	239.447	4.712	0	10	BJAE	
CCCN[C@@H]1[C@@H](C(C)(C)CC)CCCC1(C)C	2020350274	AHBSXGZDPMAGAU-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C[C@H]1C[C@@H]1CCC)NCCC	2022486756	YMKUUJAUQLVCIZ-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(CC(=O)CCCC(C)(F)F)CC1	2023313678	IWESVJSBDRZRQT-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
C[C@H](CC1CC(C)(C)CC(C)(C)C1)C(C)(C)O	2024120176	UFUXTCJOXXVUDX-GFCCVEGCSA-N	240.431	4.636	0	10	BJAE	
CCCC1CC(O)(C[C@@H]2CCCC(C)(C)C2)C1	2024124197	OKDSNLQGHGOKML-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)CC[C@@H]1CC1(C)C)c1ccccc1	2027815467	NTEXJOOOYYGGRB-UKRRQHHQSA-N	244.378	4.576	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CCCC2(C)CC2)c(C)c1	2027832548	MBLXNPXLCWNZIN-HNNXBMFYSA-N	246.394	4.616	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H]1CC[C@H]2C[C@H]2CC1	2028972434	KBICRMGAKBOXDF-MUJYYYPQSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](c1ccoc1)C(C)(C)C1CCCC1	2032307900	YQXFDSFDLFWNDP-OAHLLOKOSA-N	249.398	4.537	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2CCC[C@H]2C)CC=CCC1	2032500612	GDPBLXBBDFYIDV-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCc1cccc2c3c([nH]c12)C[C@H]1CCCC[C@H]31	2034151187	XIDRCRAPHAFLOJ-OLZOCXBDSA-N	239.362	4.560	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)c1c(C)coc1C	2035534366	QZKKFWGMXILSHM-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CC(C)(C)NCC1(C[C@H]2C=CCC2)CCCCC1	2035585611	GETFVEKTJOIQHX-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CCC(CN)(C2CC3(CC3)C2)CC1	2036177020	FFUNGJTWKHTVCC-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(N)CC1CC2(CC2)C1	2036727756	PKJACGHIKGDSHZ-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C[C@H](C)CC(C)C)cc1C	2037107033	UDAJPVPUQFYHDE-PXAZEXFGSA-N	247.426	4.684	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCC12CCCCC2)C1CCC1	2037160619	LUBSBRSVGMZFDU-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCC1(CC)CCCN1[C@H]1CCC2(CCCC2)C1	2037678401	KOCYFFBEWDQNHG-HNNXBMFYSA-N	249.442	4.754	0	10	BJAE	
CCN[C@H](C1=CCCC1)[C@@H]1CCCC(C)(C)CC1	2039384065	GOIAOOPDHUQASV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC1(NC[C@@H]2C(C)=CCC[C@@H]2C)CCCC1	2039453091	OQYCBGMYMDURFP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@]2(C)CC=CCC2)cc1	2042015638	BYPSNSCNJWLYSJ-DLBZAZTESA-N	243.394	4.556	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@@H]1CC)C1(C)CC=CC1	2042018479	FWSIYWFVWNSINV-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CN(CCCCCC1CC1)[C@@H]1CCC2(CCC2)C1	2043707360	HOKQNFXWYVRRIM-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2CCC=CCCC2)[C@@H]1C	2045318197	SNYJWNJYOCRMDU-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC=CCCC1)C1(C)CC1	2045322149	CBFQLVACASUCHW-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@@H](C2(N)CCC3(CCCCC3)CC2)C1	2045666090	NQRWJMJXSASYIH-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047436994	IKTTYHNGIKUCON-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCC1CC(N[C@H]2CCCCC23CCCCC3)C1	2047586471	KEASKFGKICSBPN-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C[C@H]1CCC12CCC2	2047944148	WMDADFVPCHXPHT-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@H]2[C@H]3CCC[C@H]32)CC1	2048441276	JUMYDCHGJDYGOF-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CCC1(NC[C@@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048448984	WICVAUZWDYAESY-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](C[C@@H]2[C@H]3CCCC[C@H]32)C1	2048469068	QXSZBDNYAMGICV-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC([C@@](C)(N)C[C@@H]2C=CCC2)CC1	2049486152	ANLZTZSROLFJFT-MYBQVCMBSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)NCC1(C[C@@H]2CCC3(CC3)C2)CCC1	2049863661	ZXOWYTGCMZOEFT-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCCC1(N)C2CCCC1CCC2	2050012394	PYNHTWFKTMSAFQ-LETWWHAPSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](N)CC[C@@H]2CCC[C@@H](C)C2)cc1	2050427200	AWLLHXDLFKCWCM-HLLBOEOZSA-N	245.410	4.601	0	10	BJAE	
CC1(C)C[C@H]1CCCCC(=O)c1ccc(F)cc1	2050494737	LWJVFUSGMPOWDO-CYBMUJFWSA-N	248.341	4.615	0	10	BJAE	
CC(C)=CC[C@@](C)(O)c1ccc(C(C)(C)C)cc1	2051400003	DGNDHHFJOHFWKA-QGZVFWFLSA-N	246.394	4.548	0	10	BJAE	
CCC1(C)CCC(NC[C@H]2C=CCCCC2)CC1	2051600061	SSNPJUDHABLFSC-GTPINHCMSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1C(=O)[C@H]1CCCCC12CCC2	2053354866	GNFBBEMUWBIADF-OAHLLOKOSA-N	242.362	4.538	0	10	BJAE	
CN[C@@H](CC1CCCCC1)[C@H]1CCCCC12CC2	2053410865	HEANOQCICOAEHH-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@H]1CCCCC12CC2	2053410869	HEANOQCICOAEHH-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@@H](N)[C@H]2CCCCC23CCC3)CC1	2053414407	ZGZMXXAYDYLMSF-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1C=CCCC1(C)C	2055541907	KQJPQWHBTFOLCJ-GDBMZVCRSA-N	249.442	4.680	0	10	BJAE	
CN[C@H](C[C@H]1C=CCC1)C1(C)CCC(C)(C)CC1	2056552443	LJHXBTTWJMOZAV-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1C(=O)CC1CC(CC)C1	2056666820	WRCLOZOYWYJJNL-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)C1(C2CC2)CCCC1	2057609314	OQYDNWGMRYBKQH-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@]1(C)CC=CCC1	2059224986	IBFAWUVXKAPYQV-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
C/C=C/CCCC[C@H](CNCC)c1ccccc1	2059247770	VBWPCYJJBJJQJW-NJELEJDNSA-N	245.410	4.516	0	10	BJAE	
CC1(C)CCC([C@@H](N)CC[C@]23CCC[C@@H]2C3)CC1	2061600557	BDHAZDNXAJYALT-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)[C@@H]1CCCCCC12CC2	2062196435	LSBKQKQWYWPZPV-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@@]12CCCC[C@H]1CCC2	2062624566	KELONUROYRJTIT-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC[C@@](N)(CC1CC2(C1)CC(C)(C)C2)C1CCC1	2063203414	GNXNHSOWEXRZHK-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC(C[C@@](C)(N)C3CCCC3)C2)C1	2063209470	UMVNIEKPOOQKHP-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@H]2C=CCC2)CC(C)(C)C1	2063633759	CRWJAHMXQGNTPF-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CNCCC12CCC1(CCCCCC1)CC2	2065898395	SXHJGWINZNQZHF-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2C[C@@H]3CC[C@@H]3C2)cc1	2068698273	ITTIVGWUWCBLOD-MKZZRHPPSA-N	244.378	4.625	0	10	BJAE	
N[C@@H](CC1C[C@@H]2CC[C@H]2C1)C1CCCCCCC1	2068833211	QTWYZUSNUXAVBI-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(CC(=O)[C@@H](C)c1ccccc1)C(C)C	2068986243	GXUNUJAXVMHDCV-AWEZNQCLSA-N	246.394	4.678	0	10	BJAE	
CCC1(CC)CCC(N[C@@H](C)C2CC=CC2)CC1	2070813807	GSJOZPHYMGTZCK-AWEZNQCLSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@H]2CC23CCCC3)CCC1	2071922089	NXEZRRGKPAWZRU-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCC1)C1(C(C)(C)C)CCC1	2071924597	SUDKWURRKLXXTB-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC(C)Cc1cccc(C(=O)CC[C@@H]2C[C@@H]2C)c1	2072097159	YEVDVMIIDOLZOA-DZGCQCFKSA-N	244.378	4.504	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@]23CCCC[C@@H]2C3)CC1	2074102399	QUFLFSNCDDSBEY-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1CCNC2(CCCC2)C1	2074140728	DTOOWBVZIAKBRH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N2CC[C@H]2C2CCCCC2)CC1	2074856426	JAJRVFBQBKIKMH-PREGVCBESA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@H]2CCCCC23CC3)C1	2074891150	FFRAGVADNLGPPO-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CC(Nc2ccccc2C2CC2)C[C@@H](C)C1	2077262870	ZBENYHJGMADPJI-STQMWFEESA-N	243.394	4.801	0	10	BJAE	
CCN(C[C@H]1C=CCCCC1)[C@H]1CCCC1(C)C	2078715882	CWFOYXQYBILPMX-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@H]1C[C@H]1CCC	2079448201	ULTWRWMXRVAYIO-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
O=C(CC1CCCC1)[C@H]1C[C@H]1C1CCCCCC1	2079491840	MHGFYTUHNRICIP-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]1C1CCCCCC1	2079529798	OIELQVCRQCJINF-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(C(=O)C[C@@H]2C[C@H]2C2CCCC2)CC1	2079865618	PCLSZTUSCHVHAB-UAOKOLBASA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C[C@@H]1CCCC(C)(C)C1)[C@@]1(C)C=CCC1	2082989161	YXEFPCNAKCXOKN-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1cccc(C)c1C	2086045101	TWEOWEVHXMAWTR-SUMWQHHRSA-N	248.410	4.943	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1scc(C)c1C	2210560617	REWROTZWSPNPSS-GFCCVEGCSA-N	238.396	4.764	0	10	BJAE	
Cc1cccc(C)c1C[C@@H]1C=CCCCC1	2211935664	NGUFFKCDEABNLB-OAHLLOKOSA-N	214.352	4.592	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H](C)CC1CC1	2212648989	FCXRRZXPZGXKPB-SNVBAGLBSA-N	237.774	4.503	0	10	BJAE	
C[C@@H]1CC[C@@H]1CNC1CCCCCCCCC1	2215033801	OCDIBCXKLXGCFW-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(C)(C(=O)CCCCC(F)F)CC1	2216499999	BBDJHMKTKSNASV-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCCCC[C@H](CNC1CCC1)CC(C)C	2217124626	JCFILTKNJKEHBK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NCC(C)(C)CC1CCC(C)CC1	2217145049	LOPMQGDRXGYSRS-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC(C)(C)CNC1CCC1	2217148356	CRBAUXMCUNDSMZ-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC(C)C)CC=C(C)CC1	2217154066	QLHOMQZZBTZWJW-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1C[C@H]2CCC[C@@H]21	2217284574	ZEWPEOMESQIBME-OSAQELSMSA-N	249.785	4.503	0	10	BJAE	
CC1CC(C)(C(=O)C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218385117	JSSKLZLYEMZQOS-ZTPJQAPRSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)(CC)C(=O)CC=Cc1ccccc1	2219080272	GYGCWAFKPNGALD-UHFFFAOYSA-N	244.378	4.875	0	10	BJAE	
CC[C@H]1C[C@H]1CCOc1ccc(C(C)(C)C)cc1	2220960516	MJSGDSNWSGSYOA-UONOGXRCSA-N	246.394	4.799	0	10	BJAE	
CCCN[C@H](CCC1CC1)C1(C)CC2(CCC2)C1	2221004410	WVKDGBSDPJBYNV-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)CC[C@H]1C1CC1	2223112198	ATLRCONCPRKBSU-IRXDYDNUSA-N	249.442	4.645	0	10	BJAE	
C(CCCC1CC1)CCCN1CC[C@H]2CCC[C@H]21	2223113885	QKHZLOWMVXSUCD-IAGOWNOFSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@H](CC)CCC	2244777791	MRWRYJKJMHFCTF-RBSFLKMASA-N	227.436	4.747	0	10	BJAE	
CC[C@H](C)[C@@H](O)CC[C@@H](C)CCCC(C)C	2244852442	UMNQSWMRVAGZRK-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)C(C)(C)CCF)C1	2246670334	VKTBMPZBMPKLRE-STQMWFEESA-N	242.378	4.548	0	10	BJAE	
CCC1(C)CC(O)(CCCCC[C@H]2C[C@@H]2C)C1	2248864835	FIDJHSJWPJSVJY-FXQLRMTLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CCC(C(C)C)C(C)C	2250359032	QASIOBLTTJMWBB-GOEBONIOSA-N	242.447	4.882	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC[C@@H]1CCCC12CC2	2250361278	LDHFTFVRHWUVLJ-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@@H]1CCC(C)(C)C1	2250363772	BPQDEHBLFBZHSI-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CC[C@@H](C)CCCC(C)C)C(F)F	2250516387	IDXQMDUIOIYMMT-GXTWGEPZSA-N	249.389	4.602	0	10	BJAE	
CC1(CC[C@H]2C(=O)C(C)(C)CCC2(C)C)CC1	2251717105	IHDMULHZNHULJS-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCCC[C@]1(C)NCC1CC2(CCCC2)C1	2254084411	OWBURKFMWRYCQM-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@@H]1CCC12CCC2	2254974832	ISUSUJKNRSYZSY-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)[C@@H]2CC23CCC3)CC1	2256429638	YQMPVHXYBZFRDU-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCN[C@H](CC[C@H]2CCCCC23CC3)C1	2257741907	MNUBRFQVOPWYLV-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(NC2CC3(CC(C)C3)C2)cc(C)c1C	2258233963	SMTRIUSXSHKZAD-UHFFFAOYSA-N	243.394	4.602	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1C2(CCC2)C12CCC2	2259431794	XUNAWQIAIHKARE-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1ccc2ccccc2c1	2259445974	XWYPXSLZEUSVPQ-CXAGYDPISA-N	242.362	4.700	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)Cc1ccc(C(C)C)cc1	2259476687	BUMIOPDAGGXULU-RDJZCZTQSA-N	247.426	4.506	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@@]12CCCC[C@H]1CC2	2260489132	KEYYWANNIWRCIU-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(NC[C@]23CCCC[C@H]2CC3)c1	2260623165	NFJYUEWBLGOERE-DOTOQJQBSA-N	243.394	4.631	0	10	BJAE	
O[C@H](CCC1CC1)c1cccc(C2CCCC2)c1	2260661236	DBQGGKKUVAMCLO-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
C[C@H](CC1CC1)N(C)C1CCCCCCCC1	2298901190	UWNGMYSYHSQREY-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CCc1cc(C(=O)CC(C)(C)CC)ccc1C	2299668850	GULKIDRABWUQDP-UHFFFAOYSA-N	232.367	4.566	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](C(C)C)CC[C@H]1O	2300675425	FCHBJVVLOSUALX-BZUAXINKSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CC[C@H](O)C[C@H]1CCC12CCC2	2300679197	QTRTVDWGTWRJIH-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC(C)=CCC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	2300867468	MKBLTWSNRYBGAN-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
CC=CC[C@H](NCC)[C@H]1CCCC(C)(C)CC1	2300871839	JORDSTCWKBKMOE-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(=O)[C@@H]1CC(C)(C)[C@@H]1C)C(C)(C)C	2302149135	YNDMNTGIBMQOGZ-JHJVBQTASA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CC[C@@H]1C(C)(C)C	2303397146	GPXIDIVUEAIMAV-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H]1CC[C@@H]1C(C)(C)C	2303445359	QIOWXAGIPJPDPK-MJBXVCDLSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1CC[C@H]1C(C)(C)C	2303506901	APOMKGOBFBGKKS-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](C)[C@@H](C)NC(C)C)CC1	2303522327	HLPIJDWHSVYBHM-ARFHVFGLSA-N	237.431	4.536	0	10	BJAE	
CCC1(C)CC(N)(CC[C@@H]2CCC(C)(C)C2)C1	2304430822	DSBQJALKSNQGRI-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1CCC(C)(C)CC1	2307842278	IJULLAOCBHHXRD-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@H](C[C@@H]1C[C@H]1CC)NCC	2307896642	WIOCCCVGQLSZCT-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@@H]2CCC[C@H]2C)c2ccccc2N1	2308260705	XYJBIALGXWHPEI-KBXIAJHMSA-N	243.394	4.801	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)c1	2308401422	WEJFRMDBSSMQCT-BHYGNILZSA-N	243.394	4.766	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2310910526	CVDVPTHSUFYUDK-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@]23CCCC[C@@H]2C3)CCC1	2311130247	JLZKJSBWYKIZKJ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1C[C@H]1C1CCCC1	2311538728	IVNIHSCJENVHCX-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]2C2CCCCC2)C1	2311610322	MHXSDWINTIBLOV-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
CN[C@H]([C@@H](C)CC1CCC1)[C@]1(C)CC=C(C)CC1	2313693891	BCWNTEUDJVXXKB-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCN(CC)Cc1ccccc1C	2316235706	MZNPAJVDBVYNTG-UHFFFAOYSA-N	247.426	4.643	0	10	BJAE	
C[C@H]1C[C@@H]1NC(C1CCCCC1)C1CCCCC1	2316367377	NUMWCQDRLIEDNU-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1CCCC12CC2	2317020531	HHTQLJMHSHDJOG-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC(C)(C)[C@@H]2C)cc1	2318176295	OBANKGFZEPAHBD-CZUORRHYSA-N	245.410	4.876	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@@H]1C)C1=CCCCCCC1	2318935752	JECKNJDPFSBRHI-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCCC[C@H]3C[C@@H]32)cc1	2319252124	KAFBDSUUQKZPSP-BHYGNILZSA-N	243.394	4.630	0	10	BJAE	
O=C(CC[C@@H]1CC[C@@H]1C1CC1)CC1CCCCC1	2319738089	OHBRFZUHNPGAQP-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CCCC(C)(C)[C@@H](N)Cc1cccc(C(C)C)c1	2320634551	RCAFDPTXVWZIRM-INIZCTEOSA-N	247.426	4.506	0	10	BJAE	
CCCN(Cc1cccc(C(C)C)c1)C1CCC1	2320637514	VXVHVMKUYTZSKH-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CCCC1CCC(CC[C@H]2CC3(CC3)CN2)CC1	2321249406	RQUFFQHIBOJNAG-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@@H]2CCCC3(CC3)C2)C1	2321605460	LZBUCAXDLWZCER-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CC=CCC2)c1F	2327781081	HLXJOYJMBRPPFQ-CYBMUJFWSA-N	247.357	4.717	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cc2ccccc2o1	2328277903	OMZVSVVZBPZKLS-GXTWGEPZSA-N	245.366	4.649	0	10	BJAE	
c1cc2c(c3c1CCCC3)CC[C@@H]1CCCC[C@@H]21	1704775	DISXLARWFONJQP-GOEBONIOSA-N	240.390	4.785	0	10	BJAE	
Clc1ccc2c(c1)NC[C@@H](C1CCCCC1)C2	11987827	PWUALOKCRZMUNN-ZDUSSCGKSA-N	249.785	4.505	0	10	BJAE	
CC(C)(C)C1CCC(Nc2ccc(F)cc2)CC1	21799450	YXYXRXWMLCGWKJ-UHFFFAOYSA-N	249.373	4.843	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@H](CC)NCC	70746562	GWCCXKUXUDWFFA-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCCC[C@@H]1C	71084928	YIZHXKVRUVZTPZ-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H]1CCCC[C@@H](NCC)C1	80413680	RBXLGRWBZFJYCC-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(C3CC3)CCCCCN2)C1	91875392	SIZYXLKQVSCQGN-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1)C1(C)CCCC1	94900550	RBZKXWGIKSEWJI-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)c1c(C)cc(C)cc1C	109946580	MAWXVHJSDHUVKR-HOTGVXAUSA-N	247.426	4.841	0	10	BJAE	
C=CCCCCCCNCCCCCCC=C	116837250	JMPVLYWTCOEOAE-UHFFFAOYSA-N	237.431	4.849	0	10	BJAE	
CCCCC[C@H](NCCC)C1(C)CCCC1	125410537	MOSLJBRXBKYOKI-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC(CC)CC(=O)c1cccc2ccccc12	148020127	ZRNYNXXSXDDWFC-UHFFFAOYSA-N	240.346	4.849	0	10	BJAE	
CCCCC[C@@H](Cc1ccc(C(C)C)cc1)NC	161745465	IQFQMVICQVCAIH-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
CCCCCC[C@H](C)Nc1cnccc1Cl	166674837	HNDTVDNJQPPUKH-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)c1cc(C)c(C)cc1C	168663115	CNFXIGMYALCLAI-PXAZEXFGSA-N	247.426	4.699	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2CCCCC2)C1	203289469	WEVFSDMQRQCIEB-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc2ccc(C)nc12	233284609	CXHWJUKSTGJEDP-CQSZACIVSA-N	242.366	4.534	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H]1CCC[C@@H](CC)C1	233545459	ZKBWGDALQHXAPV-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC[C@@H](C)C1)[C@H](C)CCC	253024070	CNPRTAPEQAEVNC-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@H]2CCNc3ccccc32)C1	300116451	NRJOCPKUWCJTGV-CBBWQLFWSA-N	243.394	4.658	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)CCCC(C)(C)C	300934880	VJYLCXHTYQKQFO-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCCC(C)(C)C)NC	300979811	UCWAOPBUNFLXEU-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](CCC)CCCCC1CCCC1	306002949	VNVOITQJBSWSQO-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cc2cccc(C)c2o1	306069489	ZTHWQQRZXNRGLY-ABAIWWIYSA-N	246.350	4.601	0	10	BJAE	
Cc1c(Cl)cc2ccsc2c1C(F)F	306912560	NBGDCNOXHWSZGU-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@H]1CCC[C@H](n2ccc3cc(F)ccc32)C1	310432593	CNGPIVHIDOGTIJ-WFASDCNBSA-N	245.341	4.922	0	10	BJAE	
CCCCCC[C@@H](O)CC1CCC(C)(C)CC1	310451875	VVWLFRWBXZTIMR-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CC(C)C[C@@H](C)C1(O)CC(C)(C)CC(C)(C)C1	310523889	VSXXZZJGTYHSII-CYBMUJFWSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](N[C@H](CCC)C1CC1)C1CCCC1	313421018	DJXGADUSRSEWEB-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CCNC[C@@](C)(CC)CC/C=C\c1ccccc1	317222525	BZJPGDGWAUSSFV-GQPJMJRUSA-N	245.410	4.506	0	10	BJAE	
Cc1cc([C@@H](O)CCCCCC(C)C)cs1	383124990	JWVITCKGZGAFPI-AWEZNQCLSA-N	240.412	4.696	0	10	BJAE	
CNCC1(CCCCCC(C)C)CCCCC1	383274803	OAYVEYACAJHSBA-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@H](C)C1CCCCC1	383963896	HYFIAVKSQICVFT-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC/C=C\c1ccccc1	386107477	JPUZPYKDEVRVRB-QIENPNARSA-N	245.410	4.504	0	10	BJAE	
CC1(C)CC[C@@H](Nc2cccc3ccsc23)C1	386248002	QRDXQENSRKJCLS-GFCCVEGCSA-N	245.391	4.892	0	10	BJAE	
CC[C@@H](C)c1ccc(OC/C(C)=C\Cl)cc1	390420571	PWALVVCOLJREFY-UCQJPZFISA-N	238.758	4.722	0	10	BJAE	
Clc1sccc1NC1CCCCCCC1	395634781	GJZWTTBKTGYGNU-UHFFFAOYSA-N	243.803	4.926	0	10	BJAE	
CCOc1c(Cl)c(CC)cc2ccsc12	396186213	FYWHWGRTUGQKMD-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc2sc(C)cc2cc1C(F)(F)F	396309291	TTYDJYBFNWTDOQ-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](CCCC1CCC1)NC	688399100	REBNFRNWSSEPRJ-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)C[C@@H](C)CC(F)F)CC(C)(C)C	688886922	ALSYUOGNCMDMFJ-GHMZBOCLSA-N	248.357	4.699	0	10	BJAE	
C1=C[C@@H](Nc2cccc(-c3ccccc3)c2)CCC1	689671830	VOJOYJOFBUVJOE-QGZVFWFLSA-N	249.357	4.874	0	10	BJAE	
CCC(F)(F)C(C)(C)CC1(O)CCCCCC1	691045531	DJMZWDLPSCGDSU-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@H]2CCC23CCCC3)CC(C)(C)C1	693795095	MPSMAPGPCQZEIA-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H]([C@@H](CC(C)C)NC)CC1	695081322	OXSXTJTXTSXLMM-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)CCC1CCCCC1	696560929	LPVOCXMUNSGZSG-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1CCCCC1(C)C	696562110	QDWQMCWLRDIBNI-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1ccc(Cl)cc1	696568586	SRGAYNUVYFJCNU-ZDUSSCGKSA-N	240.774	4.590	0	10	BJAE	
CCC(C)(CC)C(=O)c1cccc2ccccc12	701328665	BXUMDGQSKSHXNC-UHFFFAOYSA-N	240.346	4.849	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)[C@@]2(C)CC2(C)C)cc1	702220428	CPLSMDFRINXLFP-XGWLTEMNSA-N	246.394	4.670	0	10	BJAE	
CCC[C@](N)(C1CCCCCC1)C1CCCC1	704954041	CGFLIKXJAOHSPM-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCNC[C@@]1([C@H]2C=CCCCCC2)CC1(C)C	705298738	AJNFCUFSYPYGGD-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]3CCC[C@@H]32)c(Cl)c1	707861551	ROOUIYWYAOBYCF-SGMGOOAPSA-N	249.785	4.639	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@@H](C)C(C)(C)C)CC(C)(C)C	711106418	GJZIKLUKQRVXDN-MGPQQGTHSA-N	241.463	4.848	0	10	BJAE	
CC(C)CCC1(CN)CC(C)(C)CC(C)(C)C1	711107975	JVNQFPWLYLNHRW-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@@H](C)C(C)(C)C)C1	711207545	LNAHAKZNYSHRCD-MCIONIFRSA-N	238.415	4.700	0	10	BJAE	
CCCNCC1(CCC(C)=C(C)C)CCCC1	718746554	FVCLFIPBVYVLKR-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cscc1C(F)F	720311259	ATHFYRLWUXOUGL-KCJUWKMLSA-N	248.338	4.545	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cc(C)ccc1Cl	721717692	CMAZFFXBJNHAAV-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CC(C)(C)C[C@H]1CCN([C@H]2C=CCCCCC2)C1	1559915171	HEXOTXRIAAJRIZ-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CCC1(CNC[C@H]2C(C)=CCC[C@@H]2C)CCCC1	1650771640	PNZFWBSYIVYPIN-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)[C@H](C)NC1CCC2(CCC2)CC1	1658550084	DXXFWYXTPSBZHM-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
C1=C(CCN[C@H]2CCC23CCCC3)CCCCC1	1664189592	BPGAFFLHIKPYEL-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CC(=CC[C@@H](O)C(C)(C)C)CCCC(C)C	1900903940	AKGORADRCOYIKS-CQSZACIVSA-N	226.404	4.556	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(O)CCCC(C)(C)C1	1905386847	GFXYLXKWVRKGGV-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
C=CC=CCC[C@H](C[C@@H](C)CC(C)(C)C)NC	1911798860	NGVFJPXBNKTOSC-HUUCEWRRSA-N	237.431	4.559	0	10	BJAE	
CC1(C[C@@H](N)C2CC3(CCCC3)C2)CCCCC1	1912628672	NYZKZPYEMRZPCE-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CCc1ccc(NC2CC3(CCCC3)C2)cc1C	1912725845	JLBFSQACSZSEAJ-UHFFFAOYSA-N	243.394	4.692	0	10	BJAE	
CC(C)CCCCC[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1N	1916068904	ZPGLAFZPTSHXTK-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CCC2(CCCC2)C1	1916425131	BNYVVMSEAQAAMX-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@@](C)(N)c1cscc1Cl	1920184383	DLHIQDTXZAYKAN-GFCCVEGCSA-N	245.819	4.546	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)c1cccc(C2CC2)c1	1920202186	KFSUOCJILJUEFO-GUYCJALGSA-N	245.410	4.564	0	10	BJAE	
CCC[C@@H](C)[C@](C)(N)c1ccc(C(C)(C)C)cc1	1920460363	IQFODDNHFOJBBC-DYVFJYSZSA-N	247.426	4.594	0	10	BJAE	
CCCC1CC([C@@H](CCCC(C)(C)C)NC)C1	1921302494	RIHOOYQEHQEYIF-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@@H](C)C1CCCCC1	1924137971	FXQRMJKPQFVHHL-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C=C1[C@H](CN)CCCC12CCC2)C(C)(C)C	1924788199	GAGPFOAXVLOMRM-KBPBESRZSA-N	249.442	4.524	0	10	BJAE	
O[C@@]1(C[C@H]2C=CCCCC2)CCC2(CCCC2)C1	1925932125	DSCXSTRHAKPQBU-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(Nc2cc(Cl)ccn2)cc1	1940368455	CPFPFPBCCVEMPD-UHFFFAOYSA-N	246.741	4.602	0	10	BJAE	
C[C@@H]1CC[C@](O)(CC2(C)CCCCC2)[C@H](C)C1	1940408264	LFOVLVFCISKLHV-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCCCCC2CC2)CC1	1941575503	NQBIYEWTUKJPQT-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CNCC)C1CCC1	1942094709	IKLPGONQKAHBGI-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCC[C@H]1O)C1CCCCC1	1942196331	CJNFEQCLMXGIOT-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](C)(N)CC1CCCCC1	1942655781	KJBLHXRDMWKBFG-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C1C[C@@H](C)C[C@H](C)C1	1943043268	NKUYRPPNJPEDDQ-XEZPLFJOSA-N	237.431	4.523	0	10	BJAE	
CCNC[C@@]1(CC(CC)CC)CCCC1(C)C	1944481512	UFZLPRHQBMEJCN-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CNc1cccc(C2(C)CC2)c1	1944600121	MHCZFVBMUAMGBE-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](O)CCCC1CC1	1944623454	RJOSLOCTSGDQRO-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](NC)C(C)(C)C1CCCCC1	1944661893	WOTLEIFFNQNMTF-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC1(CN)CCCCCCC1	1944820174	PKDYIDSXNSTKMQ-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@H]1CCC[C@@H]1C	1944850914	YQBXZKNNOIBRCE-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1c(C)cccc1F	1947458964	HVKVVVPXYPDUJN-OCCSQVGLSA-N	235.346	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)CC1(C)CCCCC1	1947460714	HHWUVEOJDHZVNN-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCCCC12CCC2)C(C)(C)C	1947899702	IYNKFDQHIPPQJE-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CCC(F)(F)CC	1947999024	YOUIMYCETJIOPW-STQMWFEESA-N	249.389	4.602	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)[C@H](C)CC(C)C)c1	1948329367	ZJZURRIRUPXEGS-CABCVRRESA-N	233.399	4.786	0	10	BJAE	
CCCCCC[C@@H](C)NC1CC2(CCCC2)C1	1948474139	LBXXNFUFZCTFOH-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@H]2CC[C@H](C)C2)CC1	1949404784	XFNKWNCPYLYXAJ-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1CCC[C@H](C)CC1	1950907294	CHDGEQHDVGBLKQ-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)[C@H]1CCCC(C)(C)CC1	1950918010	ICBMAXWDKHHKAU-AJNGGQMLSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(C)c1OCC1[C@@H]2CCCCC[C@@H]12	1968271255	SHNRZCUQJVUFKT-HUUCEWRRSA-N	244.378	4.509	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCC[C@H](C)C2)c(F)c1	1968326114	BZVAXDXMSKJJNA-JSGCOSHPSA-N	249.373	4.762	0	10	BJAE	
CCCC1CCC([C@@H](C)N[C@H](C)C(C)C)CC1	1968368503	LJVVKFVWMKFMNZ-WXLSXGNJSA-N	239.447	4.616	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@H]2CC(C)C)cc1	1968425635	GAQWLFLADSCQON-DOTOQJQBSA-N	245.410	4.876	0	10	BJAE	
C[C@@H]1CCC[C@H](CNC2CC3(CCCCC3)C2)C1	1969004581	CPMVXLTXAXHDSG-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)CN(C[C@@H]1CC[C@H](C)C1)c1ccccc1	1970692613	SQHASLQOPBNECJ-JKSUJKDBSA-N	245.410	4.585	0	10	BJAE	
C[C@H]1CCCCCCN1C[C@@H]1CCCC2(CC2)C1	1970730626	UZONMASWZJHENA-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](N[C@@H]1CCC2(CCCCC2)C1)C1(C)CCC1	1970849572	OZIDTDRGYUQSJZ-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCCC1CC(N[C@H](C)[C@@]23CCCC[C@@H]2C3)C1	1973100485	RLPQNBQFFHYQCP-PRXYFPRHSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C)C23CCC(CC2)C3)C1	1973846646	BGPMKABMPJDESM-CBCUQQMYSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H](C)C(C)C	1988301664	WXTUIXOPANDXKU-ZIAGYGMSSA-N	226.404	4.700	0	10	BJAE	
C/C=C/CCC[C@@H](N)CC[C@H](C)CCCC	1995264678	WHNOBQFBDVVHIC-WYVSAIIBSA-N	225.420	4.667	0	10	BJAE	
CCC[C@H](NC)[C@@H](CC)C1CCC(C)(C)CC1	1996593778	HXLBXCQIDLHXJV-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H](C)[C@H](C)CC)CC1	1997101254	XXSUDLUNMQHWRF-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1CC(C(C)(C)C)C1	1998234941	OURQHSAKOWMBJH-IYXRBSQSSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@](C)(CCCCCF)CNC(C)(C)C	2000522974	KSWLBWLAIMMREJ-HNNXBMFYSA-N	245.426	4.711	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCC12CCC2	2001863824	VMUVHSBGLCJXJL-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2CC[C@H](C)CC2)C1	2003068708	MYXVMOHYZIFCLG-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)CNC1CCCCCCCC1	2003095312	MUMBVPFOHSWZSH-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CCCCCCC2=O)C1	2003116545	JJKUQJQSHURZOW-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@@H](O)C2(C)CCCCCCC2)C1	2004923875	VMUSRHXIYMPAFC-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCC1(CNCC2(C)CCCCCCC2)CC1	2004937171	LEIIQPAWEIYZJZ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@](N)(C=C1CCCC1)CC1CCCCC1	2007971528	NFHVYASNABBWEN-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)C[C@H](C)C(F)F	2008583778	VOWWQWPGTADMMI-OBJOEFQTSA-N	249.389	4.602	0	10	BJAE	
CC=CCCC[C@]1(N)C[C@@H](C)CC[C@H]1C(C)C	2009568912	JCCSKOYAJTVNNC-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](C)[C@H](O)C1=CC[C@@H](C(C)(C)C)CC1	2010724199	ZKLXSCSRGRAKDH-CFVMTHIKSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@H]1NCCC12CCCCCCCCC2	2010952427	BVVOMFJJUQUKFL-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H]1C[C@H](C(C)(CC)CC)CC(C)(C)C1	2012052933	BKLUDJVPKGLPBY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CC12CCC(CC1)C2	2012821026	FMZSSBWJYSSYCC-LBDPXKHJSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](CCCCCC2CC2)N1	2013531254	QUHZXPAFKOGZPF-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
C[C@H](NCC(C)(C)C(C)(C)C)C1(C)CCCC1	2014339823	NSPOTEURZJEFAH-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(CC(C(C)C)C(C)C)C1CCCC1	2015278423	NZQXARJBGQHZEN-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC(C)CNC[C@H](C[C@H](C)C(C)C)C(C)(C)C	2015398497	LTHVUECMWZYAGI-GJZGRUSLSA-N	241.463	4.577	0	10	BJAE	
CCCC1(C[C@H](O)C2(C)CC(C)(C)C2)CCC1	2015633073	FWMVFTGMBIVYPW-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@H]1CCC=CCCC1	2016827434	SAEIKARCTVMBPJ-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](CN[C@]1(C)CCCC(C)(C)C1)C(C)(C)C	2017622943	MJAAGPVKRVNIQH-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)[C@@H](C)[C@H](C)CC)CC1	2017657314	DPDVTJABGLFCHH-YIDVYQOGSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(CC2(CN)CCCCC2)CC1	2017728841	PNULDLJROIVTNN-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCNC[C@H](C)C[C@H]1CC[C@H](CCC)CC1	2017729508	XJARCYAGZQJJRR-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)C[C@@H](C)CC)CC1	2017774943	VMMQJEPONPAZMC-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@@H]1CC12CCCCC2	2017794626	UFYIUCXKCHAKHM-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)CC1(CC)CC1	2018991771	XNVLRFQVAVJLRK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CN(CC)[C@@H]1CCCC[C@@H]1CC	2019203086	ZGYWDEMCXDPWLG-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)N(C)[C@@H](C)[C@H]1CCCC(C)(C)C1	2019296958	FCOOWGXKIZMBGZ-KBPBESRZSA-N	239.447	4.712	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1C[C@@H]1C1CCC1	2022336490	FYMZVQFTBAGSOA-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C(=O)[C@H]1C[C@H]1C1CCCCCC1	2022414993	OTIHMEASONZYSQ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](O)CC2CC(CC)C2)CCC1	2025368866	UAWRBYGHXIGYCQ-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCC1(N[C@@H]2CCC23CCCCC3)CCCCC1	2026941675	HTLGVODBZLRPHX-OAHLLOKOSA-N	249.442	4.802	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)C1(C2CC2)CC1	2028630564	HDAKBNOIGYANQZ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)CC1	2028965590	UDGVYMNIJMLBKI-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)C(C)(C)C(C)C)cc1	2032347658	ZGAIHQLEHZXLLP-XJKSGUPXSA-N	247.426	4.882	0	10	BJAE	
CC1(C)CCC[C@H]1NC1CC(C2CCCCC2)C1	2033829453	IQMJQZVAJZWXJN-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@]2(N)C[C@@H]3CCCCC[C@@H]3C2)C1	2035856828	AMQHRWIORDXFJU-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@](C)(O)c2ccccc2)CC1	2038165681	MNZNPFHPPFIJIF-DQPZFDDXSA-N	246.394	4.501	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2038354518	NMLQNPBTTICUKF-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
NCC[C@@H]1CCC[C@H]([C@@H]2CCC3(CCCC3)C2)C1	2038879551	IAXGQVKMTBHQGM-HRCADAONSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)[C@@H]2CC23CCCCC3)C1	2039088730	NESKMFHMUCVSGB-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2(N)CCC3(CCCC3)CC2)C1	2040166530	PVEZRSSJLLLCDB-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C=C(C)C)c1ccccc1C1CC1	2042291115	UKDLRZSBMCILPF-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC1CCC(N(C)C[C@H]2CCC=CCCC2)CC1	2045314669	MMOCGFPBAXNJBU-CGZBRXJRSA-N	249.442	4.633	0	10	BJAE	
Cc1ccc([C@@H](O)[C@H]2CCCC(C)(C)C2)c(C)c1	2045369088	ZCPVEZKRYANYEO-HOCLYGCPSA-N	246.394	4.553	0	10	BJAE	
CN(C1CCC2(CC1)CC2)[C@@H]1CCCC(C)(C)C1	2045520570	HWCZBTRSRRFDAB-OAHLLOKOSA-N	249.442	4.610	0	10	BJAE	
CC(C)=C(C)CCNC1CC2(CCCCCC2)C1	2046311299	QXHRGBOWFSJHHI-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@@H]1CC[C@@H]2C[C@H]2C1	2047347351	JNAYNQKTADZOSW-OWCLPIDISA-N	244.378	4.686	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@H]2[C@H]3CCCC[C@H]32)CC1	2049194261	HTXFOMGBXCISKQ-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C(=O)CC2CCC3(CC2)CC3)CCC1	2049949818	BZQIETPLRFJMCY-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
Cc1ccc2ccn(C[C@@H]3CCC4(CC4)C3)c2c1	2049955359	UDWXUJRLWQPXNA-CQSZACIVSA-N	239.362	4.530	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@]12C=C[C@@H](CC1)C2	2050009721	ZFKYDMNLVIGWCP-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(CNc2cccc(C3CC3)c2)C1	2050102218	AWLPSGZJZWTHGK-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@]2(CN)CCCCC23CCC3)C1	2053419129	DEKDWERVWSLRDK-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@@H]1CCCC(C)=C1C	2055551033	WAQKZUTYEBBZQI-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1CC(C2CCC2)C1	2056676565	BAVZSPQMFADODF-TWRYWWQQSA-N	248.410	4.598	0	10	BJAE	
CC(C)Oc1ccccc1Sc1ccccc1	2060343955	GJGPOVUPWGZAFY-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
Cc1ccccc1[C@H](O)CC1=CCC(C)(C)CC1	2061092019	MSIDIHBATCSAMX-MRXNPFEDSA-N	244.378	4.555	0	10	BJAE	
C[C@H](CC(=O)CC1CC2(C1)CC(C)(C)C2)C1CC1	2063210576	GRONZWMQJYABKM-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C12CCCC1CCC2	2063822902	XRNHKZFNCCLROD-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCCC[C@@H]1NCCC12CCC(CC1)CC2	2065257934	GLABIPLUINGKCF-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CC23CCC(CC2)CC3)C1	2065279115	GJNCYHGBIQUQNY-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCC12CCC(CC1)CC2)C1CCCC1	2065336403	AKSQTDVXTZHKSN-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(NCCC2(C)CCCC2)n1	2066347984	XGVHYCQMQCXWHQ-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
C[C@@H](NC1CC(CC(C)(C)C)C1)c1ccccc1	2067983293	QZQDOMBCXFRFDN-VQCLRJIVSA-N	245.410	4.552	0	10	BJAE	
CC1(C)CC[C@H]1CN[C@H]1CCCCC12CCCC2	2068241506	DDEUNODRBMCREX-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](N)C2CC(C3CCC3)C2)CCC1	2069281123	SQWDXZDYGQIGIB-GPANFISMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CC1	2071189045	COUWTTPSKXFBAG-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
C[C@H](NC1(C(C)(C)C)CCC1)[C@]12CCCC[C@H]1C2	2071881234	LNSHMUUQIBVRLH-OFQRWUPVSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1(C[C@@H]2CC[C@@H]3CCCC[C@@H]3N2)CCC1	2071949867	LTRBGYPTTMNCFP-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(C[C@H](N)c2cc(C)oc2C)CC1	2072797928	DUEPLUGPWGLFOQ-XUJLQICISA-N	249.398	4.503	0	10	BJAE	
CCCC1CCC(C=C2C[C@@H](C)NC[C@H]2C)CC1	2072818979	QRZMHBYOFDHMFA-WXLSXGNJSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@]23CCCC[C@@H]2C3)C1	2074031234	XPJNYWSRGMZTPE-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(N2C[C@H](C)c3ccccc32)CC1	2074862416	LDEHJUCRDIVDER-NFOMZHRRSA-N	243.394	4.579	0	10	BJAE	
CN(C1CC2(CCCCCC2)C1)[C@H]1C=CCCC1	2075084628	OZUNECAYAALSDC-HNNXBMFYSA-N	247.426	4.530	0	10	BJAE	
O=C(C[C@@H]1C[C@H]1C1CCCCCC1)C1CCCC1	2079842629	OZEYLKTZGRUJBK-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@H]2C[C@@H]2C(C)C)cc1	2079850472	FPSUEIHIZUMIEB-JKSUJKDBSA-N	244.378	4.675	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)c1ccc(C(C)C)cc1	2079867018	SXSYTNAOKJVSCG-JKSUJKDBSA-N	244.378	4.819	0	10	BJAE	
NCC1(CC[C@@H]2C[C@H]2C2CCCCCC2)CCC1	2079868139	YIJVQLUJYZQFOA-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
CCC[C@](N)(C[C@H]1C[C@H]1C1CCCC1)C1CCC1	2079883125	DATORXVTPWHHBK-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)N(C)Cc1cc(C)cc(C)c1C	2082954548	UNUQVERPGGYOHG-OAHLLOKOSA-N	247.426	4.622	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C[C@H]2C[C@H]3C[C@H]3C2)C1	2082982618	MAKOSYMNQCXJAY-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(=O)CC2(C)CCCC2)c(F)c1C	2083351723	MAXWZZMZLAQOHC-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)[C@H]2CC=CCC2)c1	2083548076	AAHNYDOIKBHPKA-ZDUSSCGKSA-N	242.362	4.523	0	10	BJAE	
CCCN[C@@H]1CC[C@H]1CCCCCCC1CC1	2213576712	TYGINHNFLOWTAO-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC(C)NCC1(CCCCC2CC2)CCCC1	2214586526	WDCMNZTXJWLWNV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@@H]1CC(=O)c1cccc2ccsc12	2215061810	KLKUCKWPZMKVOQ-CMPLNLGQSA-N	244.359	4.520	0	10	BJAE	
C[C@H]1CCC[C@](O)(CC2(C)CC(C)(C)C2)CC1	2215381479	BCLMODMYFCUEAS-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C)(C[C@H](O)CCC2CCCC2)C1	2215395038	WDXLZSAGAIGQBO-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](N)(CC)CC1(C)CC2(CCC2)C1	2215398700	ORVODSGBPMMSEP-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC=C(CC)[C@@H](CCCC(C)(F)F)NCCC	2216272230	MSNDSTQUXCPDMH-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CC[C@H](C)NCC1([C@@H](C)[C@H](C)CC)CCCC1	2217151679	XTSONTFOSFNISO-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H]1CCc2cc(C)ccc2N1	2217469649	UGMKXNVJKYIXGU-OAHLLOKOSA-N	231.383	4.692	0	10	BJAE	
C(CCCC1CCC2(CC1)CNC2)CCC1CC1	2218718240	LUHHEDYYDDUDKD-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1	2218733201	WGXUQSJCAZCLNG-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC=Cc1ccccc1	2219067332	SYAQCQWRKRMWLE-IRXDYDNUSA-N	246.394	4.667	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2220632302	YVOLDUKIDYGAEP-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1CC)c1ccco1	2220873867	HCJWFXXDMJWTAP-RRFJBIMHSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H](O)CCCC[C@H]1CCC[C@@H](C)C1	2242772635	KVUHUCWSLNFQSV-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
C/C=C/CCCc1cc(F)cc(C(F)F)c1	2244647914	IBMPSHUZOBLTHI-NSCUHMNNSA-N	228.257	4.662	0	10	BJAE	
CCC[C@H](N)CCC[C@@H](C)CCCC(C)C	2244845020	KFFMTKNUVIVNAN-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
CC(C)C(O)(CC[C@H]1CCC[C@@H](C)C1)C(C)C	2246690854	GAOLWQYBPRMCPK-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
Cc1cc([C@H](O)CCC(C)C)cc2ccsc12	2248567336	JXPGEEWTMBLWTF-CQSZACIVSA-N	248.391	4.679	0	10	BJAE	
CCCC[C@](C)(O)c1cc(C)c2sccc2c1	2248571789	HSNMNZQQDOBKFE-HNNXBMFYSA-N	248.391	4.607	0	10	BJAE	
CCNC[C@](C)(CC)CCCCC[C@@H]1C[C@H]1C	2248854820	QIRVPPASXQTZHZ-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(O)C[C@@H](C)[C@H]1C	2250494458	AYZSRBRKSVFWRR-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@]12CCC[C@@H]1CC2	2251168519	WJDSOQNPONFTBA-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCCN[C@H](CCC)C[C@@]12CCCC[C@H]1CC2	2251217747	SDUJQHFZYMVAON-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@H](N)C1CC(CC(C)(C)C)C1	2251539724	GVLDJEDCWLMKJK-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)C[C@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251703956	YIVRBVNFWVIYIX-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](c1ccc2ccsc2c1)C(C)C	2253067438	ISYSQFAHWDAZIX-HNNXBMFYSA-N	247.407	4.598	0	10	BJAE	
CCC1(CC(=O)C[C@H]2CCCCC23CC3)CCC1	2253785942	VINGPGIPHLECEZ-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@@H]1CCCCC12CC2	2253810999	LJDVMUIHVAWESH-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2(CNC3CCC3)CC2)C1	2253911736	UXOJUOJDCOECGU-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NC1CC2(CC(C)C2)C1)C1CCCCC1	2254146914	SSVCIGACLIGXBV-LYOOIAODSA-N	249.442	4.514	0	10	BJAE	
CC=C(CC)[C@H](C[C@@H]1CCCC12CC2)NCCC	2255242467	AECJPVRXCZDLHR-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CC[C@H]2CCCC23CC3)C1	2255262948	BBORYFXWODTFQR-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1OCC[C@H]1CCCC12CC2	2255309404	ABZAKPRZMNALQH-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@]12CCC[C@H]1CC2	2260508760	REYFLAUQNUUQIF-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)[C@@]23CCCC[C@H]2CC3)C1	2260528224	RLNLBXKRUCKXBC-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@@H](C)CC1CCC1	2298938139	DJTMETYJAATNIW-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@](C)(O)C1=CCC(C)(C)CC1	2300505700	PARGJJJJIAXVCB-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@H](CC=C(C)CC)C1	2300897936	YVFLQOWNYWJWTK-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@@H](CC2CCCCCC2)NC)CC1	2301142147	GVRRPSMDPBAANF-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(O)([C@@H](C)[C@@H](C)C(C)C)CC1	2301965259	RFJBDMSYYFCZSM-FXQLRMTLSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1C(C)(C)C[C@@]1(N)CCCCCCC1CC1	2302127119	IFLKRZYNSQWTHQ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](N)CCC[C@@H]2C[C@H]2C)CCC1	2302613943	WWBWQGQCZBSYNU-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CCC2(CO)CCCCC2)C1	2302683284	RFWDAMGONJMFFS-AWEZNQCLSA-N	238.415	4.536	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H](C)C2CCC2)CC1	2303597189	NSRVZNZEFYBHJT-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cccc(C(C)C)c1	2303708679	QWOHMNCUKZKQIZ-OLZOCXBDSA-N	232.367	4.675	0	10	BJAE	
Cc1cccc2c1N[C@@H](C[C@@H]1CCC[C@H]1C)CC2	2312665194	JNOUYBPMLHIQIY-UHOFOFEASA-N	243.394	4.548	0	10	BJAE	
CCC(CC)CCC(=O)Cc1ccc(C)c(C)c1	2316240749	YBXUAQXLHHTQOU-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CC(=CCC(=O)[C@H]1C[C@@H]1C1CC1)CCCC(C)C	2316561701	CEWUTOLTYYBHBF-CVEARBPZSA-N	248.410	4.764	0	10	BJAE	
CC(C)Oc1ccccc1N[C@@H](C)[C@H](C)C(C)C	2317940186	IOYKLKAYAOMHEY-KGLIPLIRSA-N	249.398	4.566	0	10	BJAE	
C[C@H]1CC[C@@H](CN(C)CCCC2=CCCCC2)C1	2318579472	SQQFZXAKSYZFBM-DOTOQJQBSA-N	249.442	4.635	0	10	BJAE	
CCN[C@H]1CC[C@@](C)(CCCC2=CCCCC2)C1	2318582627	FTIPHZACJBZJQV-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)C[C@@H]1C=CCCC1	2318931091	CAJWYLXFEAPYHY-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCC(C)(C)C2)c(F)c1	2319292711	IRKZHARVAPNHNB-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
C1CCC(CC[C@@H]2C[C@@H]3CCCC[C@@H]3CN2)CC1	2319777372	GEGDZEQLVKRIJB-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1[C@H](N)CC1CCC=CCC1	2320219694	OFMWZKJNEHNSTI-BZUAXINKSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H]2CCC(C)=C(C)C2)C1	2320337367	MJHSIECNHMRZTM-PMPSAXMXSA-N	248.410	4.908	0	10	BJAE	
CCCC1(C[C@@H](N)c2cccc(C(C)C)c2)CC1	2320524447	YVNOZWGNVOEBPK-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@H]2CC23CCC3)c1	2320575225	VYOMBMHSPVRDPM-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCC[C@H](C)CC2)c1	2321082670	KUXUOCFELFCFQB-WFASDCNBSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CC[C@@H](CC=C2CCN[C@H]2C(C)(C)C)C1	2321637229	PZDJSEUJXRLCEY-UKRRQHHQSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1	2321638076	YCRGSAPSUHDNGH-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1NCc1cccc(Cl)c1	6871099	QNWNIBUAACSJJZ-UHFFFAOYSA-N	245.753	4.515	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1csc2ccccc12	35499577	VXRZDPFHJMNWNU-IAQYHMDHSA-N	247.407	4.598	0	10	BJAE	
CCN[C@@H](c1ccc(CC(C)C)cc1)[C@@H](C)CC	35510597	DGBHRDFIBZGCIZ-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CC(C)[C@H](C)N[C@@H](CC(C)(C)C)c1ccccc1	37128562	YBLNEWKNJFAUMU-HOCLYGCPSA-N	247.426	4.798	0	10	BJAE	
Cc1cc(-c2ccccc2)oc1-c1ccccc1	39642489	YEGBWHMQQAHSME-UHFFFAOYSA-N	234.298	4.922	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccccc1Cl	70558345	YHJYMISFPONPFF-AAEUAGOBSA-N	237.774	4.721	0	10	BJAE	
CCCC1CCC(n2c(C)ccc2C)CC1	71084568	KFHHNMGUJXDNRX-UHFFFAOYSA-N	219.372	4.636	0	10	BJAE	
CCCC[C@H](CC)CC(C)(C)CNC(C)C	71127455	QWHJVUCGAKAEBC-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)c1cccc2c1NC[C@H](C(C)(C)C)C2	71175150	CSOWYXKDMFEVNG-CYBMUJFWSA-N	245.410	4.614	0	10	BJAE	
CCCC1CCC(N[C@@H]2CC[C@H](CC)C2)CC1	80459992	IEXJVBQZJLIMLF-SLTXQBBLSA-N	237.431	4.514	0	10	BJAE	
Fc1cccc(Nc2cccc3ccccc23)c1	82715884	DWODRYFUJDNULF-UHFFFAOYSA-N	237.277	4.723	0	10	BJAE	
CC(C)C[C@H](N)c1ccc(Cl)c2ccccc12	93656299	LIFJWZZEBGTSDG-HNNXBMFYSA-N	247.769	4.539	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCCC2(C)C)cc1C	94322266	JBEBJKFYOJSAOX-HOCLYGCPSA-N	245.410	4.533	0	10	BJAE	
CCN[C@H](C(CC)CC)C1CCC(CC)CC1	94676683	VGRPWJKNWQCPJZ-AVVWSFFYSA-N	239.447	4.617	0	10	BJAE	
CC/C=C\C[C@H](C)c1ccc(F)c(C)c1	107560548	BRRJAKCBGJPYBL-GZTOBOFZSA-N	206.304	4.594	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CCC)c1ccccc1	109656233	AMRKTCXQSOHURT-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
CC[C@H](C)c1ccc(-c2ccc(N)c(F)c2)cc1	109774241	OMKGRLHRLCTUSZ-NSHDSACASA-N	243.325	4.588	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)c1cc(C)c(C)cc1C	109944591	NBMMLHSHOBGTRV-CVEARBPZSA-N	247.426	4.841	0	10	BJAE	
CCCC(CCC)C(=O)c1cc2ccccc2o1	125335932	GFZMXNFTGIVHPH-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CCCCCCC(=O)c1cc2cc(F)ccc2o1	126216118	AIQLFSUKKNKDKB-UHFFFAOYSA-N	248.297	4.725	0	10	BJAE	
CC(C)CCCN[C@H]1CC[C@@H](C)c2ccccc21	136961917	UKLWAKQRZPRHKB-PBHICJAKSA-N	245.410	4.651	0	10	BJAE	
Cc1cc(-c2ccc3ccccc3c2)ccc1C=O	148116834	LSTARWAPEDXIOR-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CC(C)(C)NC/C(=C/C1CCC1)C1CCCCC1	149708449	SAHKZUMGTHCAEK-VBKFSLOCSA-N	249.442	4.681	0	10	BJAE	
Clc1ccc(Cl)c(OC2CCCCC2)c1	166494062	KLHFGGGPLDQDEP-UHFFFAOYSA-N	245.149	4.705	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCCC)C1CCCC1	167440625	MNTCKLQGFLYVRU-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)CC1CCCCC1	203385204	NAWZCKNUIOGZFS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H]1CCCC[C@@H]1CNC1CC1	211931363	ZGHJDSASXNIOMD-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Clc1ccc(-c2ccsc2)cc1Cl	217506711	NIEVMQBNYSPRKJ-UHFFFAOYSA-N	229.131	4.722	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)c2cc(C)ccc2C)C1	227392030	UVSQFWQMFQEAQO-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCC2CCCCC2)c1	229476328	WZLKFDUNIDYIDQ-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CCC(C)(CC)NCc1cccc2ccccc12	230954449	RXBNBWHONKLUAK-UHFFFAOYSA-N	241.378	4.508	0	10	BJAE	
CCCN[C@H](C(CC)CC)C1(C)CCCCC1	233153913	PAYIGANWJBFJQD-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC(CC)CC)c1c(C)cccc1C	233595674	BULFVICMLSJCHB-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCC[C@H]1CC	251264681	CCUYJIMNPWGLPC-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H](C)CC2CC2)CC1	251381794	RRZKMOLRQUNDGC-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCCC)c1ccsc1	300989393	VPUUBIIFNNBEJQ-OCCSQVGLSA-N	239.428	4.615	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(O)CCC1CCCCC1	302242620	GDGWOJIKIRZGLC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cc(C)c(C)cc1C	304202878	IEYABRGMBVNUQN-LLVKDONJSA-N	232.367	4.621	0	10	BJAE	
Fc1c(C(F)F)cc(Cl)c2sccc12	307351116	JHDYRSKBLGFTJC-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CCCCCC(C)C	308056229	BYVKKUSDTWDEAG-CVEARBPZSA-N	241.463	4.993	0	10	BJAE	
CCN[C@@H](c1ccccc1C)[C@@H](CC)CC(C)C	308106055	VUDYXCMGUQUQDU-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CCN[C@H](c1ccccc1C)[C@@H](CC)CC(C)C	308106057	VUDYXCMGUQUQDU-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCC(C)(C)C1=CCCC1	308758239	QZHQXGFAQVOKEF-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
C/C(=C\Cl)COc1ccccc1C(C)(C)C	309131547	SYMVJOMNHFVWOY-PKNBQFBNSA-N	238.758	4.506	0	10	BJAE	
CC(C)C[C@H](C)CC1(O)CCC(C(C)C)CC1	309995652	UEXVECOGFHVUEN-FHERZECASA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC(C[C@@H](O)CC2CCCC2)CC1	310151887	PGELVTPSGOGEKX-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](O)(CC2(C)CCCC2)C1	310237215	IKNNQYOGMLBKIV-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CSc1cccc(N)c1)C1CCCCC1	310363582	VFXWSYUXGAAETF-LBPRGKRZSA-N	249.423	4.577	0	10	BJAE	
CN[C@H](CCCCC1CCCC1)c1ccccc1	310609912	AVZLRVUJKRAFLA-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CCCCCC[C@]1(CNCC)CCCC[C@H]1C	317280784	PIVHIHGJYAYTDB-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)(C)C)[C@@H](C)C(C)C	319514041	DRTXDIHMRSJCJZ-XJKSGUPXSA-N	247.426	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(O)CCC(C)(C)C	379729055	FYIATUAQNYXAGX-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cc(C)c(C)cc1N	381007046	PJJMKTUJKDFBKP-CQSZACIVSA-N	248.414	4.656	0	10	BJAE	
Cc1ccc([C@H](N)CCCCCC(C)C)cc1C	383215222	BOFIECXQKHYBCL-QGZVFWFLSA-N	247.426	4.910	0	10	BJAE	
CC(C)CCCCCC1(CNC2CC2)CCC1	383316630	WXVWAQDPFHHBFE-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc([C@@H](N)CCCCCC(C)C)c1	383325328	YJPNJHBAQANMOH-INIZCTEOSA-N	233.399	4.601	0	10	BJAE	
Cc1cccc(OCC2CCC(C)CC2)c1C	383879172	JGKKFAZPYIGNAC-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@H]1CCCC[C@@H]1C	384561735	SFZRDTTVTKOQSE-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
N[C@H](CCC1=CCCCC1)CC1CCCCCC1	385868873	IWAQMBBSIXSGHF-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCc1ccccc1N[C@@H](CC)C1CCCC1	387664038	OBBXGLLGNQWAFG-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
CCC[C@@H](C)/C=C(/CNC1CC1)C1CCCCC1	394085501	VPBCPSLOEBFVTA-IZCBMXNHSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCCCCCC[C@H](O)C(C)(C)C	394743120	OAIFIBLTEUOFNF-AWEZNQCLSA-N	228.420	4.780	0	10	BJAE	
CC1(C)CC(N[C@H](c2ccccc2)C(C)(C)C)C1	395233522	VOXZRKKSDZCSMB-OAHLLOKOSA-N	245.410	4.552	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCCC(C)(C)C1)c1ccccc1	395316816	ZGEOPVDNLFVPCU-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
CC[C@](O)(CC/C=C\c1ccccc1)C(C)(C)C	395456065	CKENMQUQFBHXBG-GQPJMJRUSA-N	246.394	4.667	0	10	BJAE	
CCc1cc2c(C)csc2cc1C(F)F	396203330	SQVRBRDJYVXYFJ-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1cc(F)cc2sc(C(F)F)cc12	396203583	VDANCERRRRBDLL-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CSc1c(F)cc2sccc2c1C(F)F	396232763	CTWSQUNTROCHHI-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
COc1c(C(F)F)cc(Cl)c2ccsc12	396289529	LCBSGXGWHGTKTR-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@H](C)C(C)(C)C	399306533	KMVBVOQPMXTUSJ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@H](C)c1ccccc1	401593488	TWMYBYJWFZCYMT-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NC(C)C	402137986	JPOCLPWBONXLOS-QAETUUGQSA-N	249.442	4.536	0	10	BJAE	
C[C@](O)(CC1CCCCC1)C1=CCCCCC1	689720372	HUMADNLXMPSSPH-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)CC1CCCCC1	689833295	ZMDRAMUPRNSWSS-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
Cc1cc(CNc2cccc(C3CC3)c2)cs1	690163487	GHZFMGNETGLWDX-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@]12CCCC[C@@H]1C2	693186358	VCUNRYWVOYQDAC-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCCC[C@H]1NC1CCC2(CC1)CC2	695687466	DEMNBUXHMTZCLZ-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@](C)(CC)CCC(C)(C)CC	696805648	KODLYJQIVUQPJY-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CC(C)CC[C@](N)(CCCC(C)(C)C)C1CC1	704836058	MTVBKACLQAVXTB-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H]2CCC[C@H]21)C1CCCCC1	707832298	GDGUFOKEDJPIFP-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc([C@@H](NC)[C@@H](C)CC(C)(C)C)c1	708309836	GJKXJNFYPHYULE-BBRMVZONSA-N	247.426	4.582	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@H](C)CC(C)(C)C	709216428	BYCJMMMDLPSCHM-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(CNC2CC2)CC=CC1	709232964	MSOWUPBTCWNGFD-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C[C@@H](N)C(C)(CC)CC)C(C)(C)C	711069918	MFXKZXKXBSECLU-CHWSQXEVSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](C[C@H](O)[C@@H]1CCC[C@H](C)C1)C(C)(C)C	711180383	NRHVHONIBYTWRZ-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
C[C@@H](N[C@H](C1CCCC1)C1CCC1)C1CCCC1	711830884	GNICVFGQGJUNOH-CXAGYDPISA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](CC(C)(C)CC)C1	713157752	CGERNHLWWQQNJS-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)[C@H]1CCCCC1(C)C	713761696	JGCBYRWQLRYEOB-KJMJWJSPSA-N	249.442	4.703	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@H](C)CC	718591352	XFYOUHPAXFUQLU-UKRRQHHQSA-N	225.420	4.537	0	10	BJAE	
CNC[C@]1(CCC(C)=C(C)C)CCC[C@H](C)C1	718738310	FKFRHBBRMKWPAT-HOCLYGCPSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CC([C@@]2(CN)CCC=CCCC2)C[C@H](C)C1	719341742	ZVVCUQPNXFHBEJ-INMHGKMJSA-N	249.442	4.524	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](O)C2(C)CCC2)cc1	720723297	MHBDNKFJRVXEQE-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CC1(C)CC(CC(=O)CCC2CCCCC2)C1	723576800	SIVGGUYZCHIKHI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C(=C/c1ccccc1)\CNc1ccccc1C1CC1	1166109587	NSRLTWLTAHMUSC-RMKNXTFCSA-N	249.357	4.689	0	10	BJAE	
Cc1cc(-c2cccc(N)c2C)cc(C)c1Cl	1205058129	ARWKLPUZRDYWBJ-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
C=C/C=C/CCN(C(C)C)[C@@H](C)c1ccccc1	1460174190	HTSAJLBUZLKRFT-MOEXGYKKSA-N	243.394	4.590	0	10	BJAE	
CC[C@H](NC[C@@H]1CCC12CCC2)C1CCCCC1	1875437864	UJTRPAUQERSMOL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC=C(C)CC)NCC	1900884591	WUXDTVZQNGVIFJ-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C1(C(C)(C)C)CCC1	1909637079	RRUUHPVIWMKSMZ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@@H]1CCCCC1(C)C	1910809354	KPKKUPLFOOQOEC-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCNCC(=C[C@H]1CCC[C@H](CC)C1)CC	1912051689	LXTWBWDGJTWLJR-HOCLYGCPSA-N	237.431	4.539	0	10	BJAE	
CC(C)[C@@H](N[C@@H]1CCC2(CCCC2)C1)C1CCC1	1916397826	MKDOEHHWNJYWFD-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC1(C)CCCCC1	1920189951	RSBFPEFEZBFCDK-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CN[C@@H](CCCC(C)C)[C@@H](C)C1CCCCC1	1924074306	CWALIUQAQWRUNM-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1NC[C@H]1C=CCCCC1	1925922206	RWTKUZVWMPQURD-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)CC(CC)CC	1926173502	BSRBYCLGDZYZGO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCc1cscc1C(=O)C(C)(C)C(C)(C)C	1938808114	BRKWAJMTVJBQLD-UHFFFAOYSA-N	238.396	4.566	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C[C@@H]1CCC[C@@H](C)C1	1941265279	VHKSMBFFSUZDHA-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C(C)(C)C1CCCC1	1944647230	UFZPOLMAZBQJIY-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](O)CC1CCCCCC1	1944839623	LPWXTUKNCLIOFS-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCC[C@@H]1C)C(C)(C)C	1944843240	QEBZRAMQIUKUHQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@H]1C[C@H]2CCCC[C@H]2C1=O	1946337361	MHMSXKCEOFYIKD-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@H]2CCCC[C@H]2C1=O	1946357385	PMKYIQSJEKMZEF-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@H]1CCC[C@@H](C)CC1	1950929137	DVXZYARNWXIEST-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CCCC(C)(C)C)CC1	1950930822	RPYGEBYTEXBQQA-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
Cc1cccc(OCC[C@H]2CCC[C@H](C)C2)c1C	1968364222	ILNBUYKOHVUWKZ-XJKSGUPXSA-N	246.394	4.899	0	10	BJAE	
CCCC(C)(C)[C@H](CC(CC)CC)NCC	1976011785	ZJJCDDCXEMTNAU-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCCCC(=O)C[C@H]1CCC=CCCC1	1978274996	UTPKOZPBTGLWMF-AWEZNQCLSA-N	222.372	4.662	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C(CC)(CC)CC	1981006086	YITGSJGWBNMXRR-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCC1CCC(C[C@@](C)(O)CCC)CC1	1989773027	XACNYPLDAKDIJZ-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H](C)CC)CC1	1989780350	RQFZJYNZMSFYHU-MGPQQGTHSA-N	224.388	4.598	0	10	BJAE	
Cc1c[nH]c(-c2ccc(C3CC3)s2)cc1=S	1993669179	IQVLHNFIUXOXPJ-UHFFFAOYSA-N	247.388	4.659	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)C1CCC(C)(C)CC1	1996553400	PHVYLYPELPEGDL-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCCCC[C@@H]1CC	1996616905	OXDOMHCUKXXRSU-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@H]1C=CCCCC1)NC	1996618763	XGJHKMGPVRMHBP-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](NC)[C@@H]1CCC[C@@H](CC)CC1	1997117382	QMLXBHCFJHJDFQ-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H](C)c1ccsc1	1998381667	YGHKXQGFAKIGLZ-STQMWFEESA-N	249.423	4.678	0	10	BJAE	
Cc1cscc1[C@@H](N)C[C@@H]1CCC=CCCC1	1999991753	RXEVITXVYTVPHX-HIFRSBDPSA-N	249.423	4.583	0	10	BJAE	
CN[C@@H](C[C@H]1CCC=CCCC1)CC(C)(C)C	1999991814	SFAAALWXXUGTAW-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](O)(CC2(C)CCC2)C1	2001141362	VFYCRUUPTINABI-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CN(C)[C@@H](C)C1CCC(C)(C)CC1	2002961201	ITDUTUFXKWVMEA-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCCCC[C@H]1NCC	2003097305	FMLHPRLTVQKNJW-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@@H](CC(C)C)C(C)C	2004229003	FAZVLNOXRCYPBN-HOTGVXAUSA-N	239.447	4.639	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@H](N)C2(C)CCCCCCC2)C1	2004921938	BNQYYCGYTDYNNN-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC1(C(=O)C[C@H]2CC2(C)C)CCCCCCC1	2004937576	QUXGLGARNIMTSU-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H]1C[C@H](CC(C)(C)CC)C[C@@H](CC)C1	2006631510	MBUWBOVXCSEECZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@@H](C)CC[C@@H]1NCC	2009628893	PAADIGNUJUEQFX-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@@](CC)(C(C)C)[C@@H](C)CCC(C)C	2012410770	JMXKKKIDUNFBFV-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CCC2(CCC2)C1	2013271608	UKINBKJZTXHJGR-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CC(C)C(C[C@@H](O)C(C(C)C)C(C)C)C(C)C	2015285602	XYWLUHXUDAMEIU-OAHLLOKOSA-N	242.447	4.594	0	10	BJAE	
CC(C)C(CCNC(C(C)C)C(C)C)C(C)C	2015360147	ZYADDVJCUVSUCH-UHFFFAOYSA-N	241.463	4.575	0	10	BJAE	
CCCC1(C[C@]2(CN)CCC[C@@H](C)C2)CCC1	2015643611	DSGITOAVZYQARA-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCCNCCC=C(C)C[C@H]1CC[C@H](C)CC1	2017732639	CUADLAAVFMIEFN-KOMQPUFPSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H](CC)CC(F)F	2018135138	VYUOJUVGXWWAOV-GXTWGEPZSA-N	249.389	4.746	0	10	BJAE	
CC=C(CC)[C@@H](CC1(C)CCCC1)NCCC	2020974746	TZFNAHABUMBPFK-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCSc1ccccc1NC[C@H]1C[C@@H]1C(C)C	2022476762	DXTYYQIPRSQROE-CHWSQXEVSA-N	249.423	4.503	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@H]2CCC)C1	2022559140	BYRKEVMZZJIEAK-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CNCC)C[C@H]1CCCC(C)(C)C1	2024094666	LXEWWOSONLZCBL-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](O)CCC2CCC2)C1	2024115539	FPTMAMKJJFWYMW-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCCC1(C)CC1	2026170772	SGOADNRBKHZZFZ-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)c1cccc(C)c1C	2027837551	RUBZKSVAEBGVEM-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@@H](c1ccc(C2CC2)cc1)C(C)(C)C	2028593564	NULKARQFOOWSQM-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@H]1CCCC12CC2	2028636106	FWTBOQRRKCJSBI-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CCCC[C@@H]21	2028761412	FCJNSPNZJBHXAI-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1CC[C@H]2C[C@@H]2CC1	2028965036	PDGYEEFHULEUGI-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
C1CCC(C2(CNCCCC3CCC3)CC2)CC1	2029735578	DMFVOYXIOOADAP-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CN[C@H](CCCC1CC1)[C@@]12CCCC[C@@H]1CCC2	2031759835	JNWLQUSGPJYPQV-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](N)[C@]23CCCC[C@H]2CCC3)CCC1	2031762936	ZGCDVPNAWUHHFM-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC(C[C@H](N)CC2=CCCCC2)C[C@H](C)C1	2031829450	UKAVBHKYJIXRJI-CKEIUWERSA-N	249.442	4.667	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C[C@@H]2CC[C@@H]2C1	2034581902	VCTMKTSBHXKGLT-TWMKSMIVSA-N	249.442	4.514	0	10	BJAE	
Cc1coc(C)c1[C@H](N)C[C@@H](C)C1CCCCC1	2035534271	PTWDZTZWSBXQIG-IAQYHMDHSA-N	249.398	4.503	0	10	BJAE	
CN(CCCC1CCC1)[C@H]1CCC2(CCCC2)C1	2036771051	KPPUYLWXDWJVPI-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC(C)(CC[C@](C)(N)[C@]12CCCC[C@@H]1C2)C1CC1	2037159402	NROOYKRFJDWMCA-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@]1([C@H]2CCC3(CCCC3)C2)CCCN1	2037591185	IHTIPHMRPKOUQQ-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1C[C@@H](C[C@H]2C=CCCC2)CCC1(C)C	2037871982	SXNSXPUUWMKWDF-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1=CCCCC1)CC12CCC(CC1)C2	2039345954	QOKFJYJBGOGDAZ-AQFXKWCLSA-N	247.426	4.565	0	10	BJAE	
Cc1cccc(N[C@@H](C)C23CCC(CC2)C3)c1F	2039866505	YYFFQELWXDUZDI-FUJMWEONSA-N	247.357	4.515	0	10	BJAE	
CC[C@H](NC[C@@]1(C)C=CCCC1)C1CCCCC1	2040684870	WIMDNMSPNKGXQF-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1ccccc1C1CCC1	2040724460	VWKWVVFSSGNYDA-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)C1(C)CC=CC1	2042027971	RWMJDMWAKPVDFP-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)CCC2CCC2)cc1	2042743006	QARZVJMHSWNZDU-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC12CCC2)C1CC(C)(C)C1	2043540909	OVZVWXALDKEFIQ-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
C[C@](N)(CCCCCC1CC1)C1CC2(CCC2)C1	2043551540	XQHPCRXRNIFAQJ-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C[C@H]1CC12CCCCC2)C1(C)CCCC1	2047010006	GHPOZLCDJIKFAA-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@@H]1CC12CCCC2	2047015566	JWMGGWDXVXQCGO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C1CCC[C@@H]2[C@@H](CC1)C[C@H]2NCCC1CCCC1	2047437796	OLGGYRGUPHWTAE-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@]1(N)CCCCC12CCCCC2	2047562827	WFOULWYVBXGPST-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1(CCNC[C@]2(C)CC=CCC2)CCCCC1	2047719315	XHFSLMCSDYRZKI-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
N[C@H](CCC1CCCC1)CC1[C@@H]2CCCCC[C@@H]12	2048441862	RJUTVRXGJANKFN-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@]2(CNC(C)(C)C)CCC23CCC3)CC1	2048879200	GNUHXVDKXJJCCA-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@H]1CC=CCC1)CC1(C)CCCC1	2049790887	KCWQPWJLODBRLN-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H](O)c2ccccc2C)C1	2050440832	ITRLZUZZTOOZOH-INMHGKMJSA-N	246.394	4.635	0	10	BJAE	
CN[C@@H](CC[C@H](C)C1CCCCC1)c1ccco1	2050523682	WIGZCPOJHWGESO-ZFWWWQNUSA-N	249.398	4.537	0	10	BJAE	
C1CCC([C@@H]2CCCCN2CC2CCCC2)CC1	2051676370	GIQXOKYSHBIYQW-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](Nc1ccc(C2(C)CC2)cc1)C1(C)CCC1	2052347047	ANJDBMYAZZTNPL-CYBMUJFWSA-N	243.394	4.729	0	10	BJAE	
Cc1ccc([C@@H](O)C2(C)CCCCCCC2)cc1	2052477389	AKTVDBSAVQQALR-MRXNPFEDSA-N	246.394	4.779	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@@H]1CCCCC12CC2	2053354980	HWRQPXDJQSNRQO-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCCNC[C@@]1(C2CC=CC2)CCCCC1(C)C	2053691210	IDTTXSOFYBBHIK-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(CF)cc2)CC1	2055678639	SYJNZFAOAZOMGC-ZFWWWQNUSA-N	249.373	4.927	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)CC1CC(CC)C1	2056729414	FPGHMFZRCAGLRK-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
O[C@]1(C=C2CCCC2)CCCCC12CCCCC2	2056856738	VYZWFALFILFWNW-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@](N)(C1CCCC1)C1CC(C2CCC2)C1	2057485648	FGFQSLFZGBFXKO-BDVYOWHSSA-N	249.442	4.501	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2059203487	KVANUIVHVLPQPM-ARFHVFGLSA-N	248.410	4.908	0	10	BJAE	
C[C@H](C[C@H](N)C[C@@]12CCC[C@@H]1C2)C1CCCCC1	2061624100	WPIXQJXOANNARN-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1CC(=C2CCC2)C1)[C@@H](C)CC	2061725005	AEZQLIXYHOXDMA-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)C1CC(=C2CCC2)C1	2061733613	FVHGFOPPXHNPAG-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN(CCC1CCCC1)[C@@H]1CCCCCC12CC2	2062198487	RQNFITWGEFBKGR-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
N[C@]1(CCCCCC2CC2)C=CCC2(CCC2)C1	2063646893	ALRWBNOIDFBWHU-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCCC1([C@H](N)CC23CCC(CC2)CC3)CCC1	2065299847	GNURBXRWZHTHNO-HWOWSKLDSA-N	249.442	4.645	0	10	BJAE	
CCCC1(NCC23CCC(CC2)CC3)CCCC1	2065313517	UQDDQXCYGGDZGN-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cc(O)c(C)cc1C	2065468899	NDMIBMVMUUIBFL-CQSZACIVSA-N	249.398	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC2CC3(C2)CC(C)(C)C3)N1	2066376135	RARQQPQVUPMVMF-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H]1CN[C@H]1CCCC12CCCCC2	2068244979	PUIOCPYMNXNJJV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1C[C@@H]2CC[C@H]2C1	2068801039	MJCNZJSKMOJSLB-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(NC[C@H]2CC23CCC3)cc1	2069194235	ROUHPKLVUMIMCJ-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C[C@]23CCC[C@@H]2C3)CC1	2070926316	MFLBZINIWWXHGL-HYVNUMGLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCN[C@@H]1CCCCC12CCCC2	2071464435	DUYSLRADMRDUQV-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(CN2CCC23CCCCCC3)CCC1	2071914960	IVCQVQXVLZAVSA-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CC[C@H](CNC[C@H]2CCC=CCCC2)CC1	2072661256	RGLWZTTVXUWEQM-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCCc1ccc(NC[C@H]2CC[C@H](C)CC2)cc1	2072801867	RQBFJQIYJJQABI-KOMQPUFPSA-N	245.410	4.877	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@H]3C[C@H]3C2)CC1	2072806148	JHVHTNHZATVITD-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C2CCCNC2(C)C)CC1	2072820047	GVOOKGNXPHIKGH-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2CCC23CCC3)CC1	2072872451	BUKHGMNULRBBQG-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1	2072874601	DARXRDBKLJKAFI-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@@H](NC)c2ccccc2C(C)C)CC1	2074654333	XVHXCSNICUEZPK-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CCC2(CCCCC2)C1	2074897314	VAYPDIYMBGUWAD-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC(C)CCCCCN1CC=CC12CCCCC2	2075146503	PPYSBOUVHJLMAO-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2075565736	NBBCRXFDUROAIW-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC[C@H]1C[C@H]1C1CC1	2075809836	BUTLRNGZVRSZLC-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H]1CCCCC12CCC2	2077198169	YJKUXLUVPBTVQD-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
FCC1(CNc2ccccc2C2CCC2)CCC1	2077264068	JFVZMNSZWXIHME-UHFFFAOYSA-N	247.357	4.506	0	10	BJAE	
N[C@H](C[C@H]1C[C@@H]1C1CCCCC1)C1CCCCC1	2079645203	PQONQDSCBUFGHC-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)C1CC(C(C)(C)C)C1	2080251683	IVCDBLCECFDPJQ-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@]1(CC2CCCCC2)C[C@@H]1CNC1CCC1	2083191275	NXFQNHMBARXOIC-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H](N[C@H]2CCCC3(CCC3)C2)C1(C)C	2084369608	ZLZVCYYNFKXDHS-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)C[C@H]1CC12CC2	2086350553	LYZSHHXLVACCSX-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CCCC(C)(C)C)CN[C@@H](C)CC	2212583498	GQOQAFBSHBLNAJ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)NC[C@H](CC)CCC(C)(C)CC	2212588689	NAVQZVMRTSKMSX-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC[C@](O)(CCCCCCC1CC1)C(F)F	2213577698	DYNGGSMXVTUHFQ-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
C[C@H]1CCC[C@@H](n2ccc3cccc(F)c32)C1	2214769818	SPFGEGIAGAIMOG-WCQYABFASA-N	231.314	4.532	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)[C@@]1(C)CC=C(C)CC1	2215811954	GNXPHEMZIZDCKQ-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@]1(CN[C@@H](C)CC)C=CCCC1	2217125113	MTVYSGRAHAVTEY-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CNC1CCC1)CC(C)(C)C(C)C	2217128476	GRCZXIHTWBCLRM-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218349343	GLWDNQMYLLETCN-YVSFHVDLSA-N	249.442	4.667	0	10	BJAE	
N[C@H](CCC1CCC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218351792	ZKISIRJZWQKHRH-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)CC[C@@H]1C1CCC1	2218720546	JWWGTYXWWGAPCO-SJORKVTESA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)CCCC2(C)CC2)CC1	2221608228	XIDQZYVSILRFHH-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1c(C)cccc1C	2222002030	OIXDMSXAENAZHG-XJKSGUPXSA-N	247.426	4.910	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(CC2CC3(CC3)C2)C1	2222271740	ZBSQGBWDCRJDHB-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)c1ccc(C2CCC2)cc1	2223684210	OTJQFKJMVUJWCV-PXAZEXFGSA-N	242.362	4.573	0	10	BJAE	
CCC1CC(C[C@H]2CCc3cc(C)ccc3N2)C1	2224122474	ZCVKAXKTZOCRED-ZBCRRDGASA-N	243.394	4.548	0	10	BJAE	
CCC[C@H](C(=O)c1csc(C)c1C)C(C)C	2242643698	KHOZWJLEQIMZOR-LBPRGKRZSA-N	238.396	4.620	0	10	BJAE	
CCC[C@H](CC)Nc1c(F)cc(Cl)cc1F	2243341185	XWYJUCMUGSYEBZ-VIFPVBQESA-N	247.716	4.609	0	10	BJAE	
CCN[C@H](C)C[C@H](C)CC[C@H]1CCC[C@@H](C)C1	2246660821	UAXYYWVEBRMWRU-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)CC[C@H]1CCC[C@@H](C)C1	2246671128	XCCXYEUKVLRJNI-KLHDSHLOSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)CCCC(C)(F)F	2247159853	PWPSLABIJGITIE-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1(N)CCCCCCC1	2247173001	BWZVOPSCWYXVOO-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCCC(CCC)C(=O)CCCC[C@@H]1C[C@@H]1C	2247177759	YRDHZDLHVQHNKB-DZGCQCFKSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC1(C)C)C(C)(C)CC	2247412492	AMWZELAMQFKXFY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@](C)(N)CC(C)(C)C	2248878199	IPHLIBFFCXVWOT-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CNC[C@]1(C)CC=C(C)CC1	2250383729	KSNRIUHGTZTTGL-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)[C@H](C)C(C)C	2250467174	OGHDRCLUTBKZBA-JKSUJKDBSA-N	241.463	4.815	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC2CC3(CCCC3)C2)C1	2254116864	WENMADAWMCRNJL-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C1CC2(CC(C)C2)C1	2254455766	VXVBUFGNJVCDFK-WERHSETGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@]1(CN)CCCC12CCC2	2254586733	PFDVAHPSCZJXQI-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1CCCC12CCC2	2254596405	VOLIRSNZXXQKBG-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)CC[C@@H]1CCCC12CC2	2255254853	YSNSRUPOQFMIEF-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(CN)(CC[C@@H]2CCCC23CC3)CC1	2255257840	GUDHCBQDILAVOD-PCKAHOCUSA-N	249.442	4.502	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)CC[C@H]1CCCC12CC2	2255315433	NFNCRBUCTSSERT-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H]2C[C@H]2CCC)cc1	2256236848	IQDLHBLBHNJWLJ-HZPDHXFCSA-N	244.378	4.648	0	10	BJAE	
CC1=C(C)[C@H](NCCCCC[C@H]2C[C@H]2C)CCC1	2257340115	MBMFYSJDJMZPCI-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cc(C)c(C)c(C)c1	2258238117	KVVMECHKVUFMER-RDJZCZTQSA-N	245.410	4.993	0	10	BJAE	
CCCN[C@H](C[C@]12CCCC[C@@H]1CC2)C1CCC1	2260580663	BSTIQUMSDCSNBT-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(C[C@]12CCCC[C@H]1CC2)C1CCCCC1	2260644918	DURSRXRYGXSVOY-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@@]12CCC[C@H]1CC2	2260658356	OTCYUEVDRBHISD-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1C[C@H](C(C)(C)C)C1	2298839685	AGHLIDLMLLQFFD-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@@H]1CCC(CC)CC	2300680805	ICIHEJMFGBMALN-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CC(=CCN1[C@@H](C)CC[C@@H]1C)CCCC(C)C	2300885251	FBKWHRSNLJXSQC-HOTGVXAUSA-N	237.431	4.632	0	10	BJAE	
CCC(C)=CC[C@H]1[C@@H](N)C(C)(C)CCC1(C)C	2300899820	RLDNZKKGIDEODE-UONOGXRCSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CC1CCCCCC1	2301135447	KOKFQVYRFVCNPF-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@](CC)(CO)CC1CCCCCC1	2301244547	NFTPKJBGVUCVHM-MRXNPFEDSA-N	240.431	4.926	0	10	BJAE	
CN[C@H]([C@H](C)CC(C)(C)C)[C@H](C)[C@@H](C)C(C)C	2301824128	AKFCZJQRHZVCPO-LXTVHRRPSA-N	241.463	4.575	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)CCCCC1CC1	2302572648	WMFAHZPOSKAHPR-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@H]1CCC(C)=C(C)C1	2303530870	FDESUSVEJBJNTG-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H](C)CC(C)C)CC1	2303597029	MCDDDBUOTWWARS-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@@H]1CCC(C)=C(C)C1	2303603905	XXEGHEMVBQVKJL-NUEKZKHPSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)CC[C@@H]1CCC(C)(C)C1	2304432478	VUNCSJHHXJHDTH-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC[C@H](C(C)C)C1	2307822064	GWEZYYSGKRYIOH-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C(CC1CC1)CC1CC1	2313626521	IXXPIWZKAXOHQG-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](CCC23CCC(CC2)CC3)N1	2315473903	QRILTBKZOYJPLM-VUROTCPHSA-N	249.442	4.658	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316692995	JYRWSSLXLNSHBC-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(C(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2317008471	SEBCCSBIBZVKDC-OEMZWJQQSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccc(F)cc1C1CC1	2317111747	WCAMGGQRRJXTQH-UHFFFAOYSA-N	248.341	4.712	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1C[C@H]2C=C[C@H]1CCC2	2317126564	IFZIIIKFVLHCAJ-VQHPVUNQSA-N	249.442	4.536	0	10	BJAE	
CCCN[C@H](C=C1CCC1)CCC1=CCCCC1	2317961677	GTLZJDIILXEUTE-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
C[C@H](NCCCC1=CCCCC1)[C@@H]1CCC1(C)C	2318508516	ACEAAQHZMZTSBX-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCCC1=CCCCC1)c1ccco1	2318575279	CTOYPHXHUONVOQ-HNNXBMFYSA-N	247.382	4.601	0	10	BJAE	
CCC[C@@H]1CCCCN1CCCC1=CCCCC1	2318575715	IINRLGIZVFWKND-QGZVFWFLSA-N	249.442	4.922	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@H]1C=CCCCC1	2318876954	KKBZQZLLCXWUCR-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@@H]2CC[C@H]2C2CC2)C1	2319503012	UODYRSSZAHJQBT-RMRKRWHISA-N	248.410	4.598	0	10	BJAE	
CCC(=O)CC[C@@H](c1ccccc1)C1CCCC1	2319673700	FBEFCLOGJPNBMP-KRWDZBQOSA-N	244.378	4.720	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)c2ccccc2C)CC1	2320337058	KBHMFLCIJJNXKO-DOTOQJQBSA-N	243.394	4.521	0	10	BJAE	
CN[C@@H](C[C@H]1CCC(C)=C(C)C1)C1CC(C)(C)C1	2320388582	RGTMGVHSPWTMAN-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@@]1([C@H]2CCC2(C)C)CCC(C)=C(C)C1	2320398988	UIWFCMMUYUSNBC-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC(N[C@H](CC2CC2)C2CC2)CC1	2320517738	YJKNJHPOXAMTHX-QWFMPGPPSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](N)(C1CCC1)C12CC(CC(C)C)(C1)C2	2321593274	RZXFYOMRQWZZCP-JCYILVPMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCC[C@H]3CC[C@@H]32)C1	2321637781	VDKLBRCRJSFMGD-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C)N[C@H](C)c1cccc2ccccc12	20559996	VFBDKLWPEMKSOD-UONOGXRCSA-N	241.378	4.535	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1ccc(C)c(C)c1	36944794	BTEBORBDOHSQOD-AWEZNQCLSA-N	232.367	4.703	0	10	BJAE	
CCCC[C@H](C)Nc1cccc2c1CCCC2	37197342	DPCRGINVEVXUNN-ZDUSSCGKSA-N	231.383	4.556	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCCc2sccc21	61324830	YGHNRIJPHSGVPO-CQSZACIVSA-N	243.375	4.546	0	10	BJAE	
CCCN[C@H](CCC)CCCC1CCCC1	70745701	HHXZVZKZLIHQFR-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC(C)C[C@H]1CN[C@H](CC(C)C)c2ccccc21	84231188	KEHNFZOUUNCIHC-WMLDXEAASA-N	245.410	4.507	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H]1C[C@H](C)CC(C)(C)C1	88296402	HSZPMQGPKFPHNL-BYNSBNAKSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@H](NCCC)C1=CCCCC1	97468742	ZHFSWNSCCFGAKB-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)c1ccc(C)o1	110226888	UKZCOWSTROFPHR-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC1([C@H](O)c2cccc3ccsc23)CCCC1	133697701	BFGHCXCZGYKFNH-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)c2ccc([C@H](C)CC)cc21	136926961	ZAVCXGLJSATEFO-IIYDPXPESA-N	245.410	4.748	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)c1c(C)cc(C)cc1C	162080475	ZGKCFOGEBWRSAD-BLLLJJGKSA-N	247.426	4.699	0	10	BJAE	
CCCC[C@](CC)(CNCC)C1CCCCC1	168033195	NGLIVETZARRLEH-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC[C@](N)(CC1CCCCC1)c1ccccc1	203336986	NMYHKEJUMGBXAX-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
Cc1c(-c2ccc(O)cc2)sc2ccccc12	211403508	ZGROZVZZJQZYEN-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCCN[C@H](CCC(C)C)c1ccsc1C	227786112	UHNTZDNWCSGWRS-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
Cc1ccc([C@@H](N)CC2=CCCCC2)cc1Cl	231990787	SNLWPRNPDOHNGN-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1ccc(Cl)o1	232978041	BRLAZXKKZYRECL-MNOVXSKESA-N	243.778	4.539	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)c1c(C)cccc1C	233127904	HQCFUDIEMOYVMV-CJNGLKHVSA-N	247.426	4.780	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCCC[C@H]1C	250807753	GJMHVDDCHRHPEK-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c(C)c1	250970061	CXGWSXQBEVSCOP-ATCWAGBWSA-N	245.410	4.848	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CCCC[C@H]1C(C)(C)C	252388243	DACHQBPENIDFSJ-XQLPTFJDSA-N	239.447	4.616	0	10	BJAE	
CNc1ccc(Sc2cccc(Cl)c2)cc1	259356608	ZICKYQDNTIUMHW-UHFFFAOYSA-N	249.766	4.533	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@H](C)CC(C)C	302529126	GEMRXQVCUQBDIG-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CSc1cc2c(S)cc(Cl)cc2s1	306857016	ZDYJXJKPPIXEFS-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1cc2cc(Cl)c(Cl)cc2s1	307530575	QYOQMVRUWVUAHP-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
Fc1csc2c(C(F)F)c(Cl)ccc12	307532505	YXTSFJYISCAWMI-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCCNC[C@@](C)(CCC1CCCC1)C(C)C	310069882	LOHLIQVSWRNBCY-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C1(C)CCCC1	310070571	VNDLKSYBBURSHI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@](O)(CC2(C)CCCC2)CC1	310526519	NCGABFHMXOGZEZ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCc1ccccc1NCC(C(C)C)C(C)C	310885690	WHGRHKGFYDNLFN-UHFFFAOYSA-N	247.426	4.979	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC2[C@@H]3CCCC[C@@H]23)CC1	310948097	LHZSTJQDNKWWCR-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1C	315238473	XRHQBEOGOXASKU-JKQORVJESA-N	243.394	4.540	0	10	BJAE	
CCCNCC1(CC=C(C)C)CCC(C)CC1	317198574	POCSXIVADAAQMB-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCNC[C@]1(CCCC(C)(C)C)CC[C@@H](C)C1	317252807	LKFINZWIQAWCHX-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)[C@@H](C)[C@H](C)CC	318889551	NVSRQICTVGDWEC-VYDXJSESSA-N	247.426	4.718	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1ccc(C(C)(C)C)cc1	320013490	FFSKEVFPORGAIF-QWHCGFSZSA-N	246.394	4.849	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cccc(C)c1Cl	320259822	ZCXHYDGTDSPOKS-GXSJLCMTSA-N	238.758	4.513	0	10	BJAE	
CC[C@@](C)(CCC1CCCC1)CNC(C)(C)C	383150788	BBJRZZQGYIMQTI-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC([C@H](O)[C@@H](C)CC(C)C)CC1	383841602	VIBXODDXSAUSHD-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H]1CCCC[C@H]1C	384519549	JNTBZGZYALFSND-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC[C@H](C)c1ccccc1)CNC(C)(C)C	384842246	ZVJKIFDBLBLUDA-GJZGRUSLSA-N	247.426	4.595	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H]1CC)c1cccc(C)c1	388589425	KQJUSYSOFFJIJY-XIRDDKMYSA-N	245.410	4.614	0	10	BJAE	
CC(C)[C@@]1(CC2(C)CCCCCC2)CCCN1	394661559	DUNUIXBQOAPABH-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
COc1c(Cl)sc2cccc(C(F)F)c12	396189654	YZLHNMHKHCYRCQ-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](N)CCC2CC2)cc1	400770270	BYLIMEDDTCNNJX-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CCNCC1(CC2=CCCC2)CCCCCCC1	401059809	DGFKNRCNCGLLPG-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CC[C@@H](C(=O)CCC(C)(C)CC)c1ccccc1	688963199	FJYNGWMVZFHBIQ-OAHLLOKOSA-N	246.394	4.966	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H]1CCC12CCCCC2	694383013	KNFPCOJEINAQBM-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@H]1CCCC2(CC2)C1	695942682	RPDVWKBBQGNFMB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(Cl)cc1NC1CCC2(CC1)CC2	696009714	ISGSVEOGSVQZQF-UHFFFAOYSA-N	249.785	4.783	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1ccc(C(C)(C)C)cc1	696178640	SFAAJXQDXVHGAJ-HNNXBMFYSA-N	247.426	4.810	0	10	BJAE	
CC(C)=CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O	697597986	GUEHENRYGNUCPR-RBSFLKMASA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1NC1CC2(CCC2)C1	697674576	WUIQDAKRLPWMPS-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)(C)C)C(C)(C)CC	701132613	RBAOLAYNOUMVKH-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1C[C@@H]1C(C)(C)C	704170286	KVKJFLZDUFZBDF-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)CCCC(C)(C)C	704960518	QMUBGKNLPFXRJY-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H](C)CC(C)(C)C)NC	709128957	NIJXGKPVJAHPHQ-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CC[C@](O)(C[C@H](C)CC(C)(C)C)[C@H](C)C1	709261570	QUEUVYKGMBMSCY-KQTLUZQSSA-N	240.431	4.636	0	10	BJAE	
CC(C)NC[C@@](C)(C[C@@H](C)C(C)(C)C)C(C)C	711171593	PIDMOGXCAYAIQM-GDBMZVCRSA-N	241.463	4.719	0	10	BJAE	
CC/C=C/C[C@@H](CCC)c1ccc(O)cc1	714541798	XTERWBPNTCMQDG-URWSZGRFSA-N	218.340	4.632	0	10	BJAE	
CCCC[C@](CC)(CO)CCC(C)=C(C)C	718562668	SIOMSWPELPPFIW-HNNXBMFYSA-N	226.404	4.702	0	10	BJAE	
CC(C)=C(C)CCCc1cc(C)ccc1C	718776782	LVUUBNPSKNGZPU-UHFFFAOYSA-N	216.368	4.982	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@@H](C)C1CCCCC1	721698407	FFPBYPIIGHEGRT-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CC)CC(C)(C)CC	723137631	HHAKEBNXACQWBF-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H](C1CCCC1)C1CC1	723995864	RLRJHOCZRAUBSG-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
C=C/C=C/CCSc1cc(Cl)ccc1F	1473029744	UNRYBNPQJOXZMK-ONEGZZNKSA-N	242.746	4.704	0	10	BJAE	
C1CCC(CC2CCN(C3CCCC3)CC2)CC1	1648462799	FXJSHJIMJNFDBM-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)CCCC(C)C	1660268038	MFNITLFZNHOLDC-ZIAGYGMSSA-N	227.436	4.616	0	10	BJAE	
CC1(CN[C@H]2CCCC2(C)C)CCC2(CC1)CC2	1875708302	FEOHCXMCWKYYNG-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(=C[C@H](C)C(C)(C)C)CNC(C)(C)C	1879350216	QIBASAVQAHZFMN-ZDUSSCGKSA-N	239.447	4.639	0	10	BJAE	
CCCCN(CCCC)[C@@H](C)[C@H](C)C(C)C	1901718983	AHHZPFSZVFKHAQ-CABCVRRESA-N	227.436	4.569	0	10	BJAE	
CCc1cscc1N[C@@H]1CCC[C@H]1C(C)C	1902381287	LNDWNPAUZNFLLW-QWHCGFSZSA-N	237.412	4.547	0	10	BJAE	
CC(C)CCC[C@](C)(O)SC1CCCCC1	1904730713	WKBFZQITIBXEHG-CQSZACIVSA-N	244.444	4.587	0	10	BJAE	
CCC[C@H](CC)CC1(N)CCC(C)(C)CC1	1905357800	CUTAHLUPZUYQAS-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1ccc(CC)s1	1905454321	QQUAWTULRPXCOM-YPMHNXCESA-N	239.428	4.527	0	10	BJAE	
CCC(C)(C)CC=C1CCC[C@@H]1[C@H]1CCCCN1	1912033120	FDAKKVRRGQFTRO-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C=CC=CCCc1ccc(C(F)(F)F)c(F)c1	1912090066	DSVTZFJJMBNPCA-UHFFFAOYSA-N	244.231	4.519	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C1CC2(CCCCC2)C1	1912630473	KMCJNWGJSAWDMO-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@](O)(CC)C[C@H](C)CC)CC1	1919962542	VCYGNIMQPROXQW-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H](C)C(C)(C)C	1919969769	LTWHYDNBHCAMOK-DZGCQCFKSA-N	228.420	4.780	0	10	BJAE	
CCCC1CC(CN[C@@H]2CCCCC23CCC3)C1	1921227131	OLPZEGULKYCDHV-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC12CCC2)c1ccsc1	1921491933	SDOSWYHTAIEGAN-UONOGXRCSA-N	249.423	4.512	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CCCC12CCC2	1921616832	CJMDIVRAPLHIGD-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@H]2C=CCCCC2)c1	1925765063	JOTHLWIWXLMSHY-HNNXBMFYSA-N	242.362	4.623	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C[C@H]1C=CCCCC1	1925915672	QQYJOYSSGUSAEL-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1csc(Cl)c1	1933586502	JQMAFGPHDFFYDZ-CMPLNLGQSA-N	246.803	4.507	0	10	BJAE	
CCCN[C@@H](C)CCCC1(C)CCCCC1	1935624595	DYBQMVAMRUQYSL-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](C[C@H](C)[C@@H](C)CC)NCCC	1939110109	DJNFGCDMTWYQNO-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCC[C@@H](C)CC1	1939902986	JGSIKRNBARZDJF-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC1(C)CCCCC1	1940405638	CPOWVDIQMDAEKD-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3CC[C@@H]32)c2sccc2c1	1941024542	JVNRYMVQDLNMTJ-KGYLQXTDSA-N	243.375	4.502	0	10	BJAE	
CC(C)C1CCC(O)(CCCC2CCC2)CC1	1941470984	XYJCDNPYIZZJKT-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)c1csc([C@@H]2C[C@@H]3CCCC[C@H]32)n1	1941710319	NPFUEWXJHBLHNK-QJPTWQEYSA-N	249.423	4.734	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@H](C)CCC(C)C	1942653968	WIGPKPKYYYSDAO-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CC(C)(C)CC[C@H]1C	1942657662	OAXGAMDKDARLPT-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](N)(C1CCCC1)[C@H](C)CCC(C)C	1942657762	OOBZPMFWPTXSCX-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@H](C)NC1CCC2(CCC2)CC1	1944600722	VEJLUSPXFPCPQS-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1[C@@H]2CCCC[C@@H]12	1945052855	JWXPQOSQOJOQGE-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCC[C@@H](F)C1)CC(C)(C)C	1946952222	HUUNVTNOWYDCRE-FRRDWIJNSA-N	242.378	4.546	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H]1CC12CCCC2	1948073452	ZNDFFWINYQROQZ-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCc1cccc(N[C@@H](C)[C@H](C)CC(C)C)c1	1948324335	YLKUYISYVNJWTM-KGLIPLIRSA-N	233.399	4.732	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(O)CCCCCC2(C)C)C1	1949435680	UOQKKOWYRUMWBI-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C[C@H]1CCC(C)(C)C1)NCCC	1949540754	NYXSBDBPBMGWCX-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@](O)(CC1CC1)CC1CCC(C)(C)CC1	1950095776	PTPWVQQOWBLJDF-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCc1cc(N[C@@H](CC)CC2CC2)ccc1C	1950100329	MPJGJNBEZXPNLF-HNNXBMFYSA-N	231.383	4.548	0	10	BJAE	
CC1(C)CCC[C@H](CNc2ccccc2)CC1	1950907359	CYMMCRQHTGRZPW-AWEZNQCLSA-N	231.383	4.705	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CCC2CCCC2)CC1	1950929185	FGVXQCSAIJXMQP-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@@H](CC)CN1CCC[C@H]1c1ccco1	1964139077	ZEYOYAIISLETAO-CABCVRRESA-N	249.398	4.633	0	10	BJAE	
C(CCC1CC1)CCN1CCCC[C@H]1C1CCC1	1966211022	BAVXCUXRVGTTQO-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2CCCC3(CC3)C2)c1	1968230278	ONWVOGURJUPHTD-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
Cc1cccc(C)c1OCC[C@@H]1CCC[C@H](C)C1	1968269420	BFAROUYVAXABRJ-BBRMVZONSA-N	246.394	4.899	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)C2CC3(CCC3)C2)C1	1970281581	OADLPWLRIGCZQW-LZWOXQAQSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1CCC[C@@H](C)C1	1976007330	GAAVAUAPALAJKF-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC(C(C)C)C(C)C	1988296676	YOVXZWIYBLVLBQ-ZDUSSCGKSA-N	226.404	4.556	0	10	BJAE	
CCCCC[C@H](CC)Nc1cc(Cl)ccn1	1990128355	YMTGCTMWTROCIA-LBPRGKRZSA-N	240.778	4.506	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CCC1(C)C	1995215751	YNZKUWUUGXIPAU-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@H](C)CC(C)C	1995254396	RHLJWXTXOZCGML-ZNMIVQPWSA-N	228.420	4.636	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(O)CCCCCC2(C)C)C1	1996260134	MNSNLAUGNVITDH-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(C1CCCC1)C1CCC(C)(C)CC1	1996592080	AHAWMOONEKLCGA-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@H]1C=CCCC1	1998376639	FFMPGTSZRFAEBY-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@@H](N)CCC[C@H]1CCC=CCCC1	1999994917	ZQHYVFNWHBMBHR-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CCCC1(C(=O)[C@@H]2CCC[C@H](CC)C2)CCC1	2000195409	RURWUGSUNHKRAG-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C[C@@H]1CC=CCC1	2000318214	ZSZNOJWGQKHXPY-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](CC)(CCC1CC1)CNC(C)C	2000504709	KMBXDCGOHRLJAP-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CCC1CCC1)CNC(C)(C)C	2000512394	XWKPMXNANVNAIT-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCCC1CCC([C@H](NC)C(C)C)CC1	2003067886	YZUOCDDXFUWYRS-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCCCCCC[C@@H]1CC(C)(C)C	2003110046	AKUBQIZXJKUSTP-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C[C@H](O)CC2(C)CCCC2)CC1	2003174385	CYANCCGORJLONE-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(C[C@](C)(O)C2(C)CCC2)CC1	2004841797	ZUXLSMCGCPXXKI-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)c1ccccc1CC[C@H]1C=CCC1	2005987176	TXRLUNJGPKDDMN-AWEZNQCLSA-N	228.379	4.883	0	10	BJAE	
Cc1scc(C(=O)CC[C@]23CCC[C@H]2C3)c1C	2011010858	KAACEMDJNGGMPI-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CCN[C@H]1C[C@@H](CC(C)(C)CC)CC(C)(C)C1	2012055979	GNQCLYNKRTZMCG-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C(C)C)C1CCC1	2013268107	WYIMGTDMMZDRSB-HOTGVXAUSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@H](C)CC(C)(C)C	2013319044	JZAIBDXEHMITHA-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCC1(C[C@@H](O)[C@H]2CCC(C)(C)C2)CCC1	2015631824	HNMPEULWJACJEM-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@@](C)(O)C2(C)CCC2)CC1	2017647400	FGNVNHNWKAVDQI-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CNC(C)C)C[C@H]1CC[C@H](CC)CC1	2017721735	CCASKKWTTWFRGZ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H]2CC[C@H](C)CC2)C1	2017774699	RPBDKGBFBYKQKZ-MLCUULIWSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H]1C1CCC1	2018130404	NXWGCMHSCNEJMW-HRCADAONSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C[C@]12CCCC[C@@H]1C2)NCCC	2018572826	YCYFJPLKIRRNMO-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@@H]2CCCCCCCC[C@@H]2O)CC1	2018969265	DBFLDJFPWZQJDL-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCSc1ccccc1N[C@@H]1C=CCCCC1	2019510000	QDLLOKVVRBBRMR-CYBMUJFWSA-N	247.407	4.709	0	10	BJAE	
CCCCN(CC1(C)CC1)C1CCCCCC1	2020504003	KNDHQCYYCJTNEZ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCCN(C1CCC1)[C@H]1CCC[C@H](CC)C1	2020635651	PDUMZRLLNRGFEC-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)CCCCC(C)(F)F	2023295350	NNKDCTGAYWMNNN-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
CCCNC[C@H](CC)C[C@H]1CCCC(C)(C)C1	2024094875	NEWXUYWIWZXTCS-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NCC)C1=CCCC1	2026164352	RZEYPLXKFNWHQE-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CC(C)CC1(c2nc(C3CCCC3)cs2)CC1	2026603188	MMTJKUIVNVPPKI-UHFFFAOYSA-N	249.423	4.878	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)c1cc(C)ccc1C	2027737058	QDVKWUPJMHQISI-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1[C@@H](C)[C@@H](C)CC[C@H]1C	2027792963	JBAOEWHWUAIJPQ-QMPIGLIWSA-N	249.373	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3CC[C@H]32)CC1	2027964350	MLZFENNVXRKAFN-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C[C@H](N)[C@@]23CCCC[C@H]2CCC3)C1	2031758968	MIUSFJDGUJJYKC-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(CN[C@@]23CCCC[C@@H]2CCC3)CC1	2031800238	YJNJNFLLCHUZKF-IAGOWNOFSA-N	249.442	4.659	0	10	BJAE	
CN[C@@H](C[C@@H](C)C1CC1)c1cccc(C(C)C)c1	2032155031	VXCOUUJZTDHDSY-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)C(C)(C)C(C)C)c1C	2032345298	BIRSXCNJDTZRHD-INIZCTEOSA-N	247.426	4.602	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H]2[C@H]3CCCC[C@H]32)cc1	2033479977	SEQXTMFWERCOAC-KKBVYLPWSA-N	244.378	4.768	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)C1CCCCCCC1	2035587354	BXXQCLYGBVWSPL-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@H]1CC[C@@H](C)C1	2035601842	QIMWRKUFADZJCY-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
Fc1ccc2[nH]c3c(c2c1)[C@@H]1CCCCC[C@@H]1C3	2035858608	ALKTZNGVRDQECL-ZYHUDNBSSA-N	243.325	4.527	0	10	BJAE	
C[C@H]1CC([C@]2(N)CCCCC23CCC3)C[C@H](C)C1	2035922854	HFZFVKPHZZFWAS-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=Cc1ccccc1)CC(C)C	2036948972	GQODDQPTMKVLNP-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
CC(C)(CC[C@]1(N)CCCC12CCCC2)C1CC1	2037163287	VYONHGOYKFACHY-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)[C@H]2CCC3(CCCC3)C2)C1	2037673325	VOHHUOHWJWKPMH-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C)([C@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037694686	ODKUHGGLWAJFJM-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CC2(CCC2)C1)C1=CCCCCCC1	2037978613	AYXHSBQLYDNKKS-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
N[C@@H](CC1CCCCCC1)CC1CC2(CCC2)C1	2038091061	YNIIRWULZZTBOZ-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@@H]1CC12CCCCC2	2038998758	FHRXYTYFSKMVSG-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc([C@@H](N)[C@@H]2CCCC(C)(C)CC2)oc1C	2039357279	QUXBAIAOTLLJDO-HIFRSBDPSA-N	249.398	4.503	0	10	BJAE	
C[C@@H](NC[C@H]1CCCC(C)(C)CC1)c1ccco1	2039379314	YSPHVZAOSLCQGM-KGLIPLIRSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CC2CC3(CC3)C2)CC1	2039386435	RCBDPPIQRFKRSY-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@]1(C)CC=CCC1	2042026981	JFYGQXDMBTYXGJ-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC=CCCC1)C1(C)CC1	2045322150	CBFQLVACASUCHW-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@H](CC2CCC=CCC2)NC)CCC1	2045731559	ZLLRVXFUOVXXKP-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2047428417	YFTWQSXGOJWHPV-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1C[C@@]1(N)CCCCC12CCCCC2	2047558427	UZPOGVROCVTRQR-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCCNC[C@H]2CCCC3(CC3)C2)C1	2049845951	OHUKABUEAWJXNZ-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H]([C@@H]1CCCC[C@@H]1C)[C@@]1(C)C=CCC1	2049996580	HUXKCIGVVZEIGA-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1(CC[C@H](N)c2ccc(F)cc2)CCCCC1	2050493306	WTMPZSJPHDZVFU-HNNXBMFYSA-N	249.373	4.576	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H]1C[C@H]2CC[C@H]1C2	2051409158	OOXAEMGXVNMIOO-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
C[C@H](NC[C@@]12CCCC[C@H]1CCC2)C1(C)CCC1	2052350072	WHSZAMBJAGGNKE-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCCC23CC3)cc1	2053309325	UDHIBLUAVQGDGP-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CC1CCC(C)(C(=O)CC[C@@H]2C[C@@H]2C2CC2)CC1	2056535370	BLRDCDRMNGXCBD-QJKCGZJTSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCC=CCC1)C1(C2CC2)CCCC1	2057592878	APLQHPWYWITAMC-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCC1(CC)CC(O)(C[C@H](C)c2ccccc2)C1	2058832398	YQGIBRZUNPVPGE-AWEZNQCLSA-N	246.394	4.512	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C1(C)CCC2(CC2)CC1	2059171676	JNVLYPYNCILEQR-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCCC(=O)C12CC3CC(CC(C3)C1)C2	2059197627	XUJKTDKYTGZEIT-NSCUHMNNSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@@H](CC1CC(=C2CCC2)C1)NCCC	2061725679	HXBJMHVSIFBRHE-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)C1CC(=C2CCC2)C1	2061734693	PXFRJGZPBUECLH-DYVFJYSZSA-N	249.442	4.681	0	10	BJAE	
CCCCN(CCC[C@H]1C[C@@H]1C)c1ccccc1	2062629291	DLXBLQRKBVVECB-HOTGVXAUSA-N	245.410	4.729	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cc(O)c(C)cc1C	2065468428	JFVMACJFKFDNGY-FZMZJTMJSA-N	249.398	4.636	0	10	BJAE	
CCN[C@H](CCC[C@@H](C)C(C)C)c1ccccc1	2069009242	IZEPQOMZZHCUIV-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
CCCC1(Cn2ccc3ccc(C)cc32)CCC1	2069278387	IDBWQKJJKCFCMO-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CCC1(C[C@H](NC)[C@H]2C(C)=CCC[C@@H]2C)CCC1	2069280406	KEYFZYUFAXTZEC-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
COc1cc(N[C@H](C)CCC=C(C)C)ccc1C	2070397578	ILCCWAMXTSSRPU-CQSZACIVSA-N	247.382	4.550	0	10	BJAE	
CCCC1([C@H](C[C@]23CCC[C@@H]2C3)NCC)CCC1	2070874140	HBFLQVCONNXXPN-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@@H]2CCC23CCC3)CCC1	2071946227	NPLQVSWZXNPDNB-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@]23CCCC[C@H]2C3)CC1	2072795107	ANMRLVKEHXBVGP-QAETUUGQSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C=C(C)C2CCC(N)CC2)CC1	2072811512	FIWDUVBRHDREPL-OJHJNGDYSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2C[C@@H](N)C23CCC3)CC1	2072816442	VJWACTLHZWFKQL-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CCCN1[C@H]1CCC12CCCCC2	2075010618	MEPAQUSBZIXXFJ-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CN(CCC1=CCCCC1)[C@@H]1CCC12CCCC2	2075152660	WUSGBGFRPXSXFO-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC(C)c1ccc([C@](C)(O)CC2=CCCC2)cc1	2075722171	UVOKRBNSAKGLSG-QGZVFWFLSA-N	244.378	4.518	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c1	2077262668	XIAAHIYHKNITOA-RBSFLKMASA-N	241.378	4.555	0	10	BJAE	
CCCc1ccccc1OC[C@@H]1C[C@H]1C(C)(C)C	2079810809	CODYZSZFLMSYFB-LSDHHAIUSA-N	246.394	4.700	0	10	BJAE	
CCc1ccccc1C(=O)C[C@H]1C[C@@H]1C(C)(C)C	2079851278	KHQIHJNDFDQXQW-HIFRSBDPSA-N	244.378	4.504	0	10	BJAE	
Cc1cccc(-c2cc(Cl)cs2)c1C	2080281637	XZDQXJBMSSOCEF-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CC(=C[C@@H]1CCC=CCCC1)[C@H]1CC[C@@H](N)CC1	2082132460	DYZQPVCRTURUEK-ZACQAIPSSA-N	247.426	4.587	0	10	BJAE	
CCC[C@@H]1CNCCC1=C[C@@H]1CCCC(C)(C)C1	2082979569	OOGWKAHELJVHRX-GOEBONIOSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H](CC)CNC1C2(CCC2)C12CCC2	2083558671	HHAXFTGGVWAOKC-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](CCC2(F)CCC2)Nc2ccccc21	2084766032	BASUEQHQKCJHKD-STQMWFEESA-N	247.357	4.647	0	10	BJAE	
CCCCC[C@](O)(CC)c1cc(C)sc1C	2211644485	RUELPUPSETZCQU-CQSZACIVSA-N	240.412	4.543	0	10	BJAE	
CCCCCC[C@@H](O)C1C[C@H]2CCC[C@H](C1)C2	2213288348	UTKUKUDLUHNBGH-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CC1CC([C@@](C)(N)CCCCCCC2CC2)C1	2213576531	QSLQZVIGWIOVHF-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@@H]1CC[C@@H]1C	2214936345	WMRALTPSISNMBU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H]1CC1(O)CCCCCCCCC1	2214970239	IYRJWPCWDCMFKM-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C[C@@H](N)CC[C@H]1C[C@H]1CC)C(C)(C)C	2215258555	VICLSCFOQWNAIL-QPSCCSFWSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(C(=O)CC[C@H]2C[C@H]2C)CC1	2215345630	LAZBLOIUMMHJFN-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CC1(C)CC(C)(C)C1	2215396682	VSWTVGILAHXYES-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
O=C(CCCCCCCC1CC1)CC1CCC1	2216878376	UPHJXNXZKUUDJX-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCC[C@@H](C=CCCCCCCC1CC1)CN	2216880219	RUEIGPDQWHNTFS-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CCCC1(CN[C@H](C)CC)CC(C(C)(C)C)C1	2217126055	CAHBCPZZOXDIPD-VQCLRJIVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@]1(CN[C@@H](C)CC)C=CCCC1	2217153548	MTQDEPSLMDSWJX-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
C(CCC[C@H]1CCC12CCNCC2)CCC1CC1	2218726828	OHUJRRHBVICKQO-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
N[C@H](CC[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2220305086	JZXRTOWYKSIJDB-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@](C)(N)CC2CCCC2)CC2(CCC2)C1	2221014258	BEVCJXWSKYDODM-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)C2=CCCCCCC2)CC1	2221612814	APXYYHMNZREBPF-SJORKVTESA-N	248.410	4.764	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@@]1(C)CC=C(C)CC1	2221631147	MAJBCDUMKRXEQF-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C(CCCC1CC1)CCCN1CCC[C@@H]2CC[C@H]21	2223107771	ZDKGYAYUHYACHX-IAGOWNOFSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC2CCC2)CC12CCC2	2223551679	ADPJQPKZUFDIFH-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC2CCC2)CC12CCCC2	2223568800	JXHYZGPRBYJXDB-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@H](NC)c1ccc2occc2c1	2224127262	HOEZMMOPMYHNEO-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CC(F)(F)CCCCC1=CCCCC1	2241440139	JMEMTQTXAAEKQU-UHFFFAOYSA-N	202.288	4.702	0	10	BJAE	
Cc1ccc(NCC2=CCCCC2)cc1Cl	2243228962	GJMMIIGDJAZSDF-UHFFFAOYSA-N	235.758	4.561	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@@H](CC)CCC	2244776474	YNOYFMXPBJBCMY-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](C)CCCC(C)C	2244799476	BRVQNFWYZZTHBW-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)(C)C1=O	2245473404	UWPGANCKZBMBNV-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCCCCSc1cc(C)c(N)cc1C	2246069365	LGJROFNJBDVMHW-UHFFFAOYSA-N	237.412	4.558	0	10	BJAE	
CC1CC(C)(C(=O)CC[C@@H]2CCC[C@H](C)C2)C1	2246656774	NNZDLSPTFRFULP-REWIBIJMSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CC[C@H]1CCC[C@@H](C)C1	2246664460	IIXMHZIQJCCMDF-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC1CC2(CCCC2)C1	2246767174	KXWLLZZFUBUISC-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1cc2ccccc2s1	2246859726	YFATXNHRFSDYLY-DOMZBBRYSA-N	248.391	4.617	0	10	BJAE	
CCC1(C)CC(C(=O)CCCC[C@H]2C[C@H]2C)C1	2247162405	BZVBGFNOBAHELK-NNNQGMHWSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(N)(CCCC[C@@H]2C[C@H]2C)CC1	2247176538	PYTGCVGGMBWTEY-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)C(=O)CCCC[C@@H]1C[C@H]1C	2247177761	YRDHZDLHVQHNKB-UKRRQHHQSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@](C)(N)CC1CCCCC1	2247444693	NJRBCWCTYISSBF-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2=CCCCC2)CC1	2247514409	UXKWGUCRQXQQGK-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
Cc1csc(C(=O)C[C@@H]2CCCC23CC3)c1C	2247652201	WQAVXNWNKPUWQD-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
N[C@H](CCCC1CCC1)c1csc(C2CC2)c1	2248043812	CZPGOSOEUJCHSR-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
CCC1([C@@H](N)CCCCC[C@@H]2C[C@H]2C)CCC1	2248842658	RSBPOLHBHJFPMW-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@H](O)CCCCC[C@@H]2C[C@@H]2C)CC1	2248852526	JARNOFFDNAKVMQ-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCc1cccc(-c2ccccc2)c1	2249018521	RYPJEINLLZVPIC-UHFFFAOYSA-N	222.331	4.862	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](O)(CCC2(C)CC2)C1	2251676790	YBDVWJBXDFMOHD-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](N)c1ccc2ccsc2c1	2253065645	PFKXYRLJYPXXHE-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CCCCC12CC2)C1CCC1	2253800053	OKYALBBPGILCDU-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2CCC23CCC3)CC1	2254910885	AWJWRVZOAOIMOX-GOEBONIOSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)c1ccccc1C1CC1	2254961442	PDCHZFKLBUYPCJ-ZDUSSCGKSA-N	242.362	4.573	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C[C@@H]2CCC23CCC3)CC1	2255015188	RLUDUYBXYJNWPB-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1=CCCCC1)CC1CCCCCC1	2255140116	HALJBTXJKHAMMO-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C1(C)CC(C)(C)C1	2255141797	UUVOTKOISJUDAC-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1(CC(=O)CC[C@H]2CCCC23CC3)CCCC1	2255313624	RXXWRMKIJTUPLA-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](CCCCC[C@@H]1C[C@H]1C)c1ccoc1	2257258723	VYRCKMNKLBVKRT-IIAWOOMASA-N	249.398	4.537	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]3CCC[C@H]32)cc(C)c1C	2258252319	KSMNRSYIUWTTQS-USXIJHARSA-N	243.394	4.602	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1cc(C2CC2)ccc1F	2259108794	UHZZVEVCKRMQJT-BXUZGUMPSA-N	247.357	4.551	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@@]12CCCC[C@@H]1CC2	2260584488	VMRLKLKFAPFDFO-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(F)c1NC[C@]12CCCC[C@@H]1CC2	2260584863	XLKGDQRKRRQSFE-CZUORRHYSA-N	247.357	4.516	0	10	BJAE	
CCC(CC)[C@H](O)c1cccc(C2CCCC2)c1	2260728863	AULBZPZVKSKRPF-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CN[C@H](C=C1CCCC1)C1CC(CC(C)(C)C)C1	2261180816	CVNYDEZIDGGBCI-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CC1CC(CNc2ccc(F)cc2)C1	2261194241	QGGKCWVCVHMYSE-UHFFFAOYSA-N	249.373	4.700	0	10	BJAE	
CC1CC(CC[C@@H](N)C[C@H]2CCC=CCCC2)C1	2261490601	LHNHBVMROFPCFW-ODZFXCKXSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CCC(CC)CC)[C@@H]1CC	2300687879	HJIZUGREKKQPNW-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN(C)[C@@H](C)C1(C)CCCC1	2300704872	XIWPUUVOTBHEHS-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCN[C@H]1CC(C)(C)CC[C@H]1CC=C(C)CC	2300899886	SBHQLTNRDZKEPK-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC=CCC1(O)CCC2(CCCCCC2)CC1	2300905047	VAMMUBGOSUBVJN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CC=C(C)CCCC(C)C)C1CCC1	2300938355	XIBAMLSOEVXMKZ-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CC1CCCCCC1	2301137168	FTRVFTAFQDJHOV-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(O)CC1CCCCCC1	2301138585	XJQHYDFSIGBEDF-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC(C)(C)[C@@H]2C)c1	2302081062	XPOUTGSMNLXDBO-DOMZBBRYSA-N	231.383	4.657	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@H]1CC(C)(C)[C@@H]1C	2302156122	RLQCEGAXTCPIBE-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@H]1CC[C@H](C)CC1	2302614665	DNPZSLCKAUBOOK-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@H]2CCC(C)(C)C2)C1	2302721884	LUNJRSMPPPVEKN-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)c2cscc2C)CC1	2303517346	WGDPYIXNLWMFNU-DZGCQCFKSA-N	249.423	4.583	0	10	BJAE	
CC1=C(C)C[C@H](COc2ccccc2C)CC1	2303574562	AFGPIJCEESICOC-OAHLLOKOSA-N	230.351	4.510	0	10	BJAE	
CN[C@@H](CCCC[C@H]1CCC(C)(C)C1)C(C)C	2304418666	RQOMWWCDBIPEPJ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC[C@@H]1CCC(C)(C)C1)CNC	2304429796	ZYZQXJNPZMKODV-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)CC1(CN)CCC(CC)CC1	2307820911	DCZADSOTJKWFFO-PCKAHOCUSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1ccc(C)cc1C	2307842191	IAYIFEZQHMIBLG-GOEBONIOSA-N	234.383	4.553	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H](C)C1CCCCC1	2307880365	WCNHCROSJQXPAQ-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CN[C@@H](C)CC)C(C)C	2307924921	PVSLSPRGNXCKOS-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC[C@@](N)(C[C@@]12CCCC[C@@H]1C2)C1CCCCC1	2311147096	BHDUEDGWXAYEEQ-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1CC2	2313322959	REBAJMUSPCBVAJ-FHIRATQRSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](N)C1(C)CCC2(CC2)CC1	2313581495	SCSKYNSKQXQPOH-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1cc(C)cc(C)c1C	2316242708	HKLBQTNNCOZNKH-QGZVFWFLSA-N	248.410	4.862	0	10	BJAE	
CCC(C)=CCC(=O)c1ccccc1CC(C)C	2316567115	FNAJLFSBBVSNIL-UHFFFAOYSA-N	244.378	4.814	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317144362	XHYYLOVWWNBIMI-ZJIFWQFVSA-N	248.410	4.764	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)CC1CC(=C2CC2)C1	2317965653	ZXDZATZUHXKPPQ-KRWDZBQOSA-N	246.394	4.518	0	10	BJAE	
NC1(CC[C@H]2C[C@H]2C2CCCCC2)CCCCC1	2318867131	OVAPYNNTHVFJMK-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CN(CCCC1(C)CC1)C[C@H]1CCC=CCCC1	2319900600	BHJYUNJURQYEQP-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1c(C)c(C)cc(C)c1C	2320368742	KVKHLXWMQFEHCC-HUUCEWRRSA-N	244.378	4.539	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CCCC[C@H]2F)c1	2320574360	HUFPNTYYRKSUGZ-HUUCEWRRSA-N	248.341	4.521	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@@H](C)C(C)(C)C)c1	2327785079	VYRWLJQTENTZCM-CYBMUJFWSA-N	246.394	4.983	0	10	BJAE	
C[C@@H](Nc1ccccc1)c1ccc(F)c(Cl)c1	20078348	BWVPYBRZJLMPIN-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCC)c1cccs1	35545354	ULNUIWZFGIAFCI-TZMCWYRMSA-N	239.428	4.615	0	10	BJAE	
CCc1cccc(C)c1NCC1CCCCC1	41258032	SMEOYFJKIGXKFB-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)c1cccs1	53816416	KBTHOKOJEFXRQJ-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
Cc1cc(O)cc(-c2ccc(C(C)(C)C)cc2)c1	65340455	WXMNZDGHFUTLAF-UHFFFAOYSA-N	240.346	4.665	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)c1cc(C)ccc1C	69375181	VOUGJVMXWZXUAM-HOTGVXAUSA-N	247.426	4.923	0	10	BJAE	
CCCC(CCC)NCC[C@H]1CCC[C@H](C)C1	70537405	IURNCEQTSPJNOY-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(N)([C@H]2CCC[C@H](CC)C2)CC1	71154200	DTJQKTHJZHYNID-PYBGIAKNSA-N	237.431	4.501	0	10	BJAE	
CSc1cccc(N[C@@H]2CC[C@@H](C)C[C@H]2C)c1	85083351	KYZIYKXJLCWTND-LALPHHSUSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCCC1(C)C	86865967	RMWDUNRNCCTASB-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@H]1CC[C@H](CC)C1	88018432	PXJAXBMHUAXOQT-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cc(C)cc(F)c1	91510765	RHJLRXPYXPLJDR-BXUZGUMPSA-N	237.362	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCCC1(C)C	94284567	NTCVIKFIYOXAMT-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)c1ccc(C)c(C)c1	103976696	KUFJJCXXDCTXMI-GJZGRUSLSA-N	233.399	4.533	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CC[C@@H]2CCCC[C@@H]2C1	109944403	FDIQLIPJVMIGJU-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	109996537	HOEYZWKIRMFDEQ-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](C)[C@H](NCCC)c1ccccc1	133469722	CUSCHTANHUZNAY-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
CCc1c(Cl)cc(C(F)(F)F)cc1Cl	144251243	KUTBBPHQORSRRS-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
CCN[C@H](C(CC)CC)C1CCCCCCC1	159100124	WVMJGHVSUJIJIE-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@@H](C)CC(C)(C)C	167661572	BYIFIEFUZFIYFE-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](O)c1cc(C)cc(Cl)c1	168244349	KXGVDYKOVDYSPQ-CQSZACIVSA-N	240.774	4.652	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@@H]2C(C)C)c(C)c1	214447801	XGEXBTWDDXBVGU-NVXWUHKLSA-N	245.410	4.930	0	10	BJAE	
CCCCCC[C@@H](N)c1cccc(Cl)c1C	220342799	FGLYMYVEBSGANV-CQSZACIVSA-N	239.790	4.619	0	10	BJAE	
CC[C@H](C)c1ccccc1OCc1ccccc1	221222781	IXSKWXOPHQEOTF-AWEZNQCLSA-N	240.346	4.779	0	10	BJAE	
C1=C(CCNC2CCC3(CCCC3)CC2)CCC1	228567864	QZCATYAPQCYCMY-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCC(CC)CC(=O)c1csc2ccccc12	229448507	NVHNDESJGQXZGG-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC1(C)CCCCC1	233921624	JQYVPWKFEOJICX-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccc(C)c(Cl)c1	300856113	BUXODMJNOFMRAS-RISCZKNCSA-N	240.774	4.508	0	10	BJAE	
Cc1cccc(N[C@H]2/C=C/CCCCC2)c1Cl	302321927	QBISKZRCJIGHRD-NEXMIYJRSA-N	249.785	4.949	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC(C)(C)C1=CCCC1	308758237	QZHQXGFAQVOKEF-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCC2(C)CCCC2)C1	310120767	DNRPPDMXJHQQCW-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC(CCC[C@H](N)C(C)(C)C)CC1	310147515	OHJQGDKUHHBSSU-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)C(C)(C)C(C)(C)C	310374883	ZFZVZHMUKSYNSO-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccccc1C(C)C	310463463	WJJPMNYWTRBOJF-CZUORRHYSA-N	234.383	4.670	0	10	BJAE	
CC[C@@H]1CCC[C@H](n2ccc3c(F)cccc32)C1	310560013	JBRSAFQDTHGNGF-OLZOCXBDSA-N	245.341	4.922	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNCCC2(C)CCCC2)C1	310998241	HWSDWMGSXRIOTP-HOCLYGCPSA-N	249.442	4.539	0	10	BJAE	
CCCNC[C@@]1(C(CC)CC)CCCC[C@@H]1C	317621341	FTQCCLDRDXMXAI-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@](CNC2CC2)(CC2(C)CCC2)C1	318189116	KLNIDAWAFVCYLF-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1ccc(C(C)C)cc1	319782119	HBTOBGYIQNKXPL-CHWSQXEVSA-N	232.367	4.675	0	10	BJAE	
CC[C@H](Nc1ccc2ccccc2c1)[C@H]1C[C@H]1C	322067496	RXYFSQCBTRGBGD-DQYPLSBCSA-N	239.362	4.686	0	10	BJAE	
CC[C@H](C)C[C@@H](CC/C=C/c1ccccc1)NC	324249835	HZFGAIPHLVKTSY-XUMBHXRASA-N	245.410	4.504	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H](C(C)C)C1CCC1	324924883	SPTXKXGAFDDLBZ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H](C)c1ccccc1	379725760	SVXGMLDKTGYEJD-UONOGXRCSA-N	233.399	4.552	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@@H](C)C2CCCCC2)cc1	380998314	HDKPDIKGIGCDPQ-PBHICJAKSA-N	245.410	4.601	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)C[C@H](C)CC(C)C	382678426	CYJPMNSDMKUZRE-AAWPKVBNSA-N	239.447	4.783	0	10	BJAE	
CC(C)CCCCCn1ccc(C(=O)C(C)C)c1	383159840	PYGVEMDBLQABCF-UHFFFAOYSA-N	249.398	4.543	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C1CCCCC1	383168378	KLWRVJUSKCFRMG-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C[C@H](C)c1ccccc1)NCCC	384858655	GUOMKMRJKDLRIE-DOTOQJQBSA-N	247.426	4.739	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1ccc2sccc2c1	386426815	MMUMEZNZSIINRX-LLVKDONJSA-N	246.375	4.766	0	10	BJAE	
CCCC[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)c1ccccc1	395075477	JPHQHQASQZWAAL-TXCZRRACSA-N	245.410	4.552	0	10	BJAE	
Cc1cc2sccc2c(C(F)(F)F)c1S	396290576	AZNBKKROSSCUFP-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
Cc1cc2c(C(F)(F)F)ccc(S)c2s1	396311335	VPBXONPAQXDGPP-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@H](NC1CCCCCC1)[C@@H]1CC1(C)C	397831691	RXRJGUKUVRVVIB-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C(=O)c1ccccc1C1CCC1)C(C)(C)C	399161893	CITGHAOUTIHEPS-GFCCVEGCSA-N	244.378	4.819	0	10	BJAE	
CCNCC1(CCCC2CCC2)CCCCC1	688827365	ZUPMPSQLSKZZPL-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCSc1cccc(N[C@@H]2CCC[C@@H](C)C2)c1	689702310	OYWMUAQRAIMDIG-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
CCC1(C(=O)CC(C)(C)CC(F)F)CCCC1	694655334	HRLZKLQARMDSFI-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1snc2ccccc12	695157750	VRVHERZYUAYMMO-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
CCCc1ccc(NCCC(C)(C)CC)cc1	696783283	QCKXKVZYHWVWIT-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CCC(C)(C)CCC(C)(C)CCNCC(C)C	696808412	WMPWGTHNZWPUQF-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
CCCNC[C@]1(CCC=C(C)C)CC[C@@H](C)C1	698042125	YYMJMUHWHOWSPZ-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCNC[C@H](C1=CCCCC1)[C@@H]1CCCC[C@@H]1C	704808639	QYDXYUUZIMDNGZ-USXIJHARSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCCCC[C@@H]2C)C1	704931436	VCYAHNJBVOSBIO-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@H](C)CC(C)(C)C	709139232	CLSRVJBRMJNFSM-HUUCEWRRSA-N	241.463	4.865	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H](C)CC(C)(C)C)C1	709142704	KAQYQENBEVTUCC-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCC(CC)Nc1cc(Cl)c(C)c(Cl)c1	709843872	HHLMSOASMIJLES-UHFFFAOYSA-N	246.181	4.902	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@H]1CCCC2(CC2)C1	709981553	YWBYSVUNGVICRH-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CCCC2(CC2)C1	710019866	UIDWQLXUQFTITH-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@@H](C)CC1CCC1	710275518	IWZHVNCBNDUNEX-AWEZNQCLSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@H](C1CCCC1)C1CCC1	711830020	BHOPVKACLGPHHS-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCN[C@H](C2CCCC2)C2CCC2)C1	711863047	MUVSFYRTCUDUDC-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@](CC)(CCCC(C)(F)F)CNC	718689739	YAHFZVQJFOLTTG-CQSZACIVSA-N	249.389	4.618	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@]1(N)CCCCCC1(C)C	719230883	UMABNDQNIRPPKJ-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)CC1(CNC2CCCCCC2)CCC1	1178175895	CIMSZIAMPPEFJR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CN1C2CCCC1CCC2)C1CCCCC1	1191021559	HMJRMFHJPHQEMG-ODIFPOPNSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc(N)cc1-c1cc(C)c(Cl)c(C)c1	1205052323	ULNOJXKSYCKNJK-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	1474201008	LOCKJGRLRWQUEJ-SQWLQELKSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CNC1CCC(CC)(CC)CC1	1560459341	UWCODKKJMIBSPO-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC1(CNC2CCC3(CCC3)CC2)CC1	1620857050	YSRUQISARJMDEP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC(C(C)C)C(C)C)CC1	1621567703	QYTPHOPVGDVCAG-LSDHHAIUSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)CCC(CC)CC	1900700062	BBCYNUFIVDFPMV-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCCCCCc1cc2cccc(F)c2o1	1901882609	ISWSRTOMNGIIOT-UHFFFAOYSA-N	220.287	4.695	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@H]1CCC(C)=C(C)C1	1902847141	FCUZEJVURDGJAT-FZMZJTMJSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H](C)CC(C)(C)C	1905434013	IWQVXXPWSXUGMB-QWHCGFSZSA-N	226.404	4.844	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H](CCC)C(C)C	1905451448	VLQIBYIHDYODGJ-UONOGXRCSA-N	226.404	4.844	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCC[C@H]1C(C)C	1907595014	VBWJSKXZAZRPNJ-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1C[C@H]1CCC	1910643528	FFHQZPGLZAPGQG-GUJPZIPKSA-N	237.431	4.537	0	10	BJAE	
CC=CCC1(CNCCC)CCC(C)(C)CC1	1911791906	PPDTVMGBADNUTG-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC=CCCN[C@@H]1CCCC[C@@H]1C1CCCCC1	1912050165	NCBBJNYRWHELEJ-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(CNC2CC2)C=CCC1	1916342417	NQBWJHNDYGHWRU-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@H]1CCC2(CCCC2)C1	1916434323	JKUGWQJWIAKLMB-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@@H]3C[C@@H]3C2)cc(C)c1Cl	1917328229	DKDVIETWVZIYPB-UPJWGTAASA-N	249.785	4.557	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@](O)(CC(C)C)c1ccccc1	1920031313	UDNZBEHJKYUWJI-UXLLHSPISA-N	248.410	4.603	0	10	BJAE	
CCCCCC[C@](N)(CC)C[C@H](C)CC	1920192307	ZDTAYFRYQGAMHF-ZIAGYGMSSA-N	213.409	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC[C@@H]1CC1(C)C	1921570214	IXYCCEPGTLUIPW-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H](C)C1CCCC1	1924140685	ATFYVLNXGYEDQC-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCCC1)C1(CC)CC1	1925913201	YBCQROWLULMDOR-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@H]1C=CCCCC1	1925946464	UACFVOMVYUUOKT-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CCNCC[C@@H](C)c1ccccc1	1926175978	MJFVSVWZGXRYIK-OAHLLOKOSA-N	247.426	4.596	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](C)(O)CCC(C)(C)C	1937166535	GISWCMSCCAMBGX-UKRRQHHQSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@H](CC1(C)CCCCC1)NCCC	1940406380	GBQUJBWTVJSMAH-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C1(C)CC(C)(C)C1	1941982447	SPRIQSISKFIXRG-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@H]1CCCC2(CC2)C1	1942656276	CIENAFKTFCZUEG-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](C)(F)c1ccc(N)cc1	1942657656	FSOAWPAJNDKMRD-DOMZBBRYSA-N	237.362	4.526	0	10	BJAE	
CCC(C)(C)CCNc1c(C)cc(C)cc1C	1944007157	NCISAPWMOSCOMN-UHFFFAOYSA-N	233.399	4.850	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@@H]1C=CCC1)NCC	1947577234	SSBSMMDZYMNCBK-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCCCC12CCC2	1947879245	BINWVNDGLGKPPN-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H](C)C1CCCCC1	1948925466	GAZPFRNQQMBVLE-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC(=CBr)C1CCC(C)(C)CC1	1953458956	XTXAOQPUORYFFP-UHFFFAOYSA-N	231.177	4.502	0	10	BJAE	
CCCc1ccc(CNCC(C)(CC)CC)cc1	1964074638	XKAJTAKJWFQIDB-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
C[C@H](NC[C@@H]1CCCCC12CCC2)C1CCCC1	1967863970	AMTHPOKOAPDECG-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NCC2C[C@@H](C)C[C@H](C)C2)c1C	1968250313	LIFKUTPYTGJJOT-STQMWFEESA-N	245.410	4.788	0	10	BJAE	
CCC[C@@H](NCC[C@H]1CC1(C)C)c1ccccc1	1968434978	DAPAAXQHBKAGMW-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
c1ccc2oc(-c3ccnc4ccccc34)cc2c1	1968564278	PVOJFKGFIWJKRN-UHFFFAOYSA-N	245.281	4.648	0	10	BJAE	
Cc1cccc(NCC[C@H]2CCC[C@H](C)C2)c1F	1969469938	HVNLOXQDONHNST-GXTWGEPZSA-N	249.373	4.762	0	10	BJAE	
CC[C@@H](NC1CCC(C(C)C)CC1)c1ccco1	1970997959	AGIYEDBRRQMBSU-YMAMQOFZSA-N	249.398	4.535	0	10	BJAE	
CC(C)C[C@@H](C)CN[C@@]1(C)CCCCC1(C)C	1973518216	DMADVYXOYXYSOC-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](NC)C(CC)(CC)CC	1978524743	JUHYYOPIZMEAEW-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCCCCCC[C@@H]1O	1980352660	VZXHYYLGMINWBQ-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCC1(C)CCC(Nc2cscc2C)CC1	1981063487	PLDHMOSTDRFZTI-UHFFFAOYSA-N	237.412	4.827	0	10	BJAE	
CC(C)c1ccc2[nH]c(C3CCC3)cc2c1	1994130094	IRXNRFCJYLIRQQ-UHFFFAOYSA-N	213.324	4.559	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(O)C1CCC(C)CC1	1996551770	GQKJESUIVKUTHU-BHDPWAOGSA-N	240.431	4.636	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@@H](C)C1CCCCC1	1996610409	IYQINFXGUHLOQZ-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(N)CC(C(C)(C)C)C1	1998236700	NABSKFARNJXNSM-FUJMWEONSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H]1C=CCCC1	1998378202	SDNPQWWBJFADMX-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCSc1ccccc1N[C@H]1CC[C@H]1CC	1998742610	NULJBDFOUURAFY-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
CCCC1(C(=O)[C@H]2CCCC(C)(C)C2)CCC1	2000191708	GYUMSPIBNDOTGV-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)C1(C(C)C)CCC1	2000389603	FNTBKGRSMJAWGG-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CCC1CCCCC1)C(=O)O	2000483242	LCYFCIYXONFPTH-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@@H]1CC12CCCCC2	2001258430	FMYDJHBUJCEZQF-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)CCCC2CC2)C1	2003016040	GLROSEDIWCSGPN-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CCC([C@H](O)C=C(C)C)CC1	2003107402	BTBFCTHQMGTNBU-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
O[C@@H]1CCCCCCC[C@H]1CCC1CCCC1	2003119278	UVMVGMFZFGTGJI-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CCC1(C)CCC(NCC2CCCCC2)CC1	2004342137	PTYOETQBTLYSFT-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)CNc1ccc(F)cc1F	2004711530	KYBBWUAQGHUIPI-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
CC(C)CCCCNC[C@H]1CCCCC1(C)C	2005585390	FGHKTEWYIASHPM-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](CC(C)(C)C)C1(C)CCC(C)(C)CC1	2007699656	YIBFTDQETPMOBS-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H](O)C(C)(C)C1CCCCC1	2009590320	GJHTYNDIZHXXNB-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1CCCCCC1	2009596816	VXRSABSXZKYZIC-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(N)([C@H]2CCCC[C@H]2C)C1	2009790958	FOJAANRUJBDFQE-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)[C@H](N)CC1=CC[C@H](C(C)(C)C)CC1	2010728795	IVPNVTRZGFDSHF-VHDGCEQUSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)(CC)C(=O)CC[C@@]12CCC[C@H]1C2	2011016078	LEINTCACXCAJDO-XJKSGUPXSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCCCCC12CC2	2011275218	QGQDYLGKBJURJT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@@](CC)(CC1(C)CCC1)C(C)C	2012421955	QVEYREZGJBIQEB-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@](CC)(CC(CC)CC)C(C)C	2012424379	DQYXNLUTGSUUJW-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](O)(CC)CCC(C)C)C1	2013270197	GJVBQWHATUNUEC-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](C)(CN)CCC(C(C)C)C(C)C	2015345906	XWZNRTNEYWVKNP-MRXNPFEDSA-N	241.463	4.850	0	10	BJAE	
CC(C)C(CCN1[C@H](C)CCC[C@H]1C)C(C)C	2015393028	YZOKCNQDHSPTOG-HUUCEWRRSA-N	239.447	4.568	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@H](C)CC(C)(C)C	2016144669	KKDJEVPBDOOVCY-ZBFHGGJFSA-N	240.431	4.946	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC1(C(C)(C)C)CCC1	2017112674	QFLVEEPVMLZALU-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@](C)(N)CC1(C(C)(C)C)CCC1	2017149423	ZYVDHZWVIALNNT-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CC[C@@](CNC(C)C)(CC(C)=C(C)C)C(C)C	2017462462	AKIKALODEVHCEP-INIZCTEOSA-N	239.447	4.783	0	10	BJAE	
CC(C)=C(C)CCN[C@]1(C)CCCC(C)(C)C1	2017611922	DIXXCKIWPYBOHB-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](C)CNC(C)(C)C)CC1	2017724801	OLNBKPNOGHMYFY-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CC1(C(C)C)CCC1	2017788050	NSDGDPBWNMRNBV-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)c1ccccc1	2018134798	RXPPVWRXOSSTLO-HOCLYGCPSA-N	233.399	4.696	0	10	BJAE	
CCCCCCN(C)C1CCC(C)(CC)CC1	2019290428	IVTJDZNVYSAGFF-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)N(CCCC(C)(C)C)C1	2019331010	VJCRLUYSHMOVDP-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)C[C@H]1CCCC(C)(C)C1	2019386124	QYESNGBHCYMILP-ZNMIVQPWSA-N	239.447	4.569	0	10	BJAE	
CC=C(CC)[C@](C)(O)C1CCC(CCC)CC1	2020974750	UCJXWKUPSQLSQY-BCLQGDPASA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C=C1CCC1)NCC	2026075829	ZKEGHMPKPBVNCG-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)c1coc2cc3c(cc12)CCCC3	2026532568	BCKBSVJLGGZKSI-UHFFFAOYSA-N	228.335	4.609	0	10	BJAE	
Cc1ccc(-c2nc(C3CCC3)cs2)cc1C	2026546353	IKZMMSATBBMKQR-UHFFFAOYSA-N	243.375	4.694	0	10	BJAE	
CC1(C)C[C@H]1CCCN[C@@H]1CCCC12CCCC2	2027805741	UUIHIMWKWNXMKG-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(NCCC[C@@H]2CC2(C)C)ccc1F	2027831679	IGXUYSCNFQBEON-CYBMUJFWSA-N	249.373	4.626	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1C)[C@@H](CC)C(C)C	2028265375	RWXULLDTFPQKFG-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CCCc1ccccc1CNCC(C)(CC)CC	2028352656	IBRHQVYIFRJKGE-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
N[C@]1(CCCC2CCC2)CC[C@H]2CCCC[C@@H]2C1	2028487262	SYTKBCMQURKTMB-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)c1ccccc1C1CC1	2028551216	CXXDQNIOKUWNJX-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
C[C@H]1CC(CC2(CN)CCC=CCC2)C[C@H](C)C1	2031827407	MIUNUNRARONYJH-HUUCEWRRSA-N	249.442	4.524	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CCC[C@H](C)C1	2035587037	BGSUFMWVXAGJIS-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC)C[C@@H]1C[C@H]1C=CCC1	2035601247	OSUMOETWBKLNIL-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
NC1(C2CCCCCC2)C[C@H]2CCCCC[C@@H]2C1	2035864276	XZUIHHIGUYQLAT-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)C[C@H]3CCCC[C@]3(C)C2)C1	2036661234	OIDXJPNJUQLBGF-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)C1=CCCCCCC1	2037074452	PCSQPRQSEHZQQN-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC2(CCCC2)C1)C1(C)CC1	2037587701	BSGJBIKKULQHBD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H]1CNC2(CCCCC2)C1	2037723539	HAGDSTMDCWVBDC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)CC1CC2(CCC2)C1	2037981918	HUJGHLRIGNHIBI-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c(NC2C[C@@H]3CCC[C@H]3C2)c(C)c1	2038622338	MFDDDMOBCZOZMF-GJZGRUSLSA-N	243.394	4.602	0	10	BJAE	
CC(C)(C)CCCC1(N)CC2(C[C@H]3CC[C@H]2C3)C1	2038955536	LFLIZQOFVMRCKZ-JCAIJIATSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042343966	BQKDOJRMGCMMEQ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@@H]1C=CCCCC1	2042739061	UNAFZHOELOHEFY-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H](C)C1)[C@@H]1C=CCCC1	2043188380	STVPAADQMFZNKC-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1CC(C(=O)C[C@@H]2CCC=CCCC2)C1	2045308189	RXCQHKPEEQXJGS-QQFBHYJXSA-N	248.410	4.764	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@@H]1CCC=CCCC1	2045318030	RDIORGACTJUKDR-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@H]1CCCC(C)(C)C1	2045529400	LWKYZKOAXSHHKK-HOCLYGCPSA-N	245.410	4.648	0	10	BJAE	
CN(CCC1CCCC1)C1CC2(CCCCC2)C1	2046329182	VHWZDOCPZVTQRG-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@@H]1C(C)=CCC[C@@H]1C	2046913277	LKWDSUYASYIHLR-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)C[C@@H]1CC12CCCCC2	2047013851	YCNLGBSXFBLSTC-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@H]1CC12CCCC2	2047014395	BNFRFFIUYDDXNF-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CC23CCCCC3)cc1	2047051505	FVKQSGTXXLDOJP-HNNXBMFYSA-N	242.362	4.538	0	10	BJAE	
CC(C)(CC[C@H](N)C[C@H]1CCC12CCC2)C1CC1	2047940100	SDFGCJIDDUALRP-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@@H]1CCCC2(CC2)C1	2049856928	PDJIRXDAYJNGTE-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@@H](C)[C@@H](C)CC)c1cccc(C)c1	2050462070	AMPHJSOVCXYAHG-ZMSDIMECSA-N	247.426	4.718	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](N)[C@@H]2CCCCC23CCC3)C1	2053412303	ONQHZXFNWQTDII-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@@H](CC)C[C@@H](NCCC)C1	2055030848	KNABQTWHAAVLBM-BRWVUGGUSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@]1(CNC(C)(C)C)C=CCCC1	2055279367	GIFJRCLSWIJDOU-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](Nc2ccc(CF)cc2)C1	2055679061	YINJSOXTKLWLRS-GOEBONIOSA-N	249.373	4.783	0	10	BJAE	
CCC1CC(C[C@H](N)[C@@H]2CCCCC23CCC3)C1	2056650538	HSNQZFBLZBTPFZ-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)C1(CC)CCCC1	2056876182	NZFZWXPWCSYHDF-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@]3(C(C)C)C[C@@H]23)c(C)c1	2058561201	BRLJEFKHTLSNOU-USXIJHARSA-N	243.394	4.540	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H]1CCC2(CC2)C1	2059248986	CXMMUIMIFCNOSJ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C=C=CC[C@H](C[C@@H](C)C1CCCCC1)NCCC	2059443677	HNDWEIINDGUPRB-NVXWUHKLSA-N	249.442	4.692	0	10	BJAE	
CN[C@@H]1CCCC[C@H]1C1=CC[C@@H](C(C)(C)C)CC1	2061151661	UJAPRIUXFIVTTH-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C(CC(=O)c2ccccc2C)CC1	2061197473	VZOQUEQZQUHKFE-AWEZNQCLSA-N	242.362	4.704	0	10	BJAE	
C[C@H](CC(=O)CC1CC(=C2CC2)C1)CC(C)(C)C	2061696361	OSAQHLWXIUFOPA-GFCCVEGCSA-N	248.410	4.908	0	10	BJAE	
CC1CCC(C[C@H](N)C23CCCC2CCC3)CC1	2063811817	DACCCVSMXCLDGT-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(N)CC12CCC(CC1)CC2	2065337057	JIRGVYCTAVZMRB-VFNXUKNFSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068719200	MQPUUXPHUSBPCC-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC1(C(C)(C)C)CCC1)[C@H]1C=CCCC1	2071947749	BXGZEXXXMHMLSL-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(C(=O)CC[C@H]2C[C@H]2C)cc1	2072078985	CLBYVMQSABLKNI-CJNGLKHVSA-N	244.378	4.648	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)c2cc(C)c(C)o2)CC1	2072793128	HEDOBPAZCJSEKD-RBSFLKMASA-N	249.398	4.503	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H]2CCC3(CC3)C2)CC1	2072796988	UYOVALMXGHZLBY-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@@H](N)c2coc(C)c2)CC1	2072797225	XKZLRYZAKWVTAY-ZBCRRDGASA-N	249.398	4.584	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)CC2CC3(CCC3)C2)CC1	2072799365	RZUUKZRIBIPFGH-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)c2occc2C)CC1	2072876175	WZUJGVUUWLISQE-HDJSIYSDSA-N	248.366	4.767	0	10	BJAE	
CC1(C)CC[C@](C)(NC[C@@H]2CCC=CCCC2)C1	2073064108	OKBATZSVXCBTDZ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCNCC1([C@@H]2C=CCCCC2)CCCCC1	2075373362	NXRULHFSCODHBE-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
N[C@H](CCC[C@@H]1C[C@H]1C1CC1)CC1CCCCC1	2075820401	KKKDCKNVNVNLSK-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2CC[C@@H]2C2CCC2)c1	2077261724	CTOXXMQQPPHJNN-WBVHZDCISA-N	241.378	4.555	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@H]2CCC3(CC3)C2)c1	2078350036	CQUXAPNXLXTWHQ-AWEZNQCLSA-N	241.378	4.699	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1C[C@@H]1C1CCC1	2079443441	OPLHUOCZIZBLNW-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCC1)C[C@H]1C[C@@H]1C1CCCCCC1	2079842096	MNEDSFQDDSFHMX-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1	2081142079	VKHAPGFHIPYRMJ-USXIJHARSA-N	243.394	4.766	0	10	BJAE	
CCCC[C@@H](CC)C(=O)Cc1cccc(C)c1C	2082948668	LGXUNKSISVKKAL-OAHLLOKOSA-N	246.394	4.631	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC=Cc2ccccc2)C1	2210661550	AQRAQJNWWMQUEG-ZBFHGGJFSA-N	214.352	4.916	0	10	BJAE	
Cc1c(F)ccc(C[C@@H]2C=CCCC2)c1Cl	2211162503	WROZDHUMJVHYHE-LLVKDONJSA-N	238.733	4.686	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC[C@H]1C[C@H]1C	2211592932	IWNYHKVUDVWQLH-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](CCCCCCC1CC1)NC	2213574721	XSVWZAGPWGVUMK-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC[C@H]1C[C@H]1C)NC	2215267297	WNMUCOZDXGREBI-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CC1(C)CC(C)(C)C1	2215394047	PUNNRYJHLHPZLK-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCN(C)CC1(C)CC(C)(C)C1	2215439245	FBZUOOILKRJXAH-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC[C@H](C)NCC1(CC(C)C)CC(C)(CC)C1	2217152446	FALDNBPXFUCBMT-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@]1([C@@H](C)CC)CCCC1(C)C	2217155880	GKBMESGMLDQSKF-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
O=C(CCC1CCC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218332557	MOZFPRIBCAZTQU-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218375303	ULYAYRYMLQJABP-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)C/C=C/c1ccccc1	2219096331	UXUCYMLWKQVGSS-LSSCYMHBSA-N	245.410	4.504	0	10	BJAE	
O=C(CCCCC1CC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2220013475	MYTULHIHNJFXST-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
N[C@]1(CCCCC2CC2)CC[C@@H]2CCCC[C@@H]2C1	2220030996	QWEARPFTDDVDBZ-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cc(N[C@]2(C)CCCC2(C)C)ccn1	2220880316	CCCQXMJJDSUBCT-MRXNPFEDSA-N	246.398	4.586	0	10	BJAE	
CC1(CC(=O)CC2=CCCCC2)CC2(CCC2)C1	2221073049	SBODOSAQGPZEPB-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C2CC(C(C)(C)C)C2)CC1	2221640115	JCUACTKNAAEJJA-MQBCKMQZSA-N	248.410	4.764	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1	2222933572	MQNAGWLULXMDSZ-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CCCC2)CC=C(C)CC1	2223590949	BBTDQBGALVWSIX-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)n1ccc2cc(Cl)c(Cl)cc21	2241515989	UZDRWCJTECFOEI-UHFFFAOYSA-N	228.122	4.529	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCCC(=O)C(C)(C)C	2243920720	FXSDXZIBBYNGJU-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@@H]1CCC1(C)C	2247334783	YGROUCWWYZZSDP-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1csc2ccccc12	2250354004	ZPLKPAVCWMFVGV-NHYWBVRUSA-N	247.407	4.727	0	10	BJAE	
CN[C@@H]1CC[C@H](CC[C@H](C)CCCC(C)C)C1	2250485602	MXTNOGCXDSOJTG-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCc1nc(-c2ccc(C)cc2)sc1CC	2252758473	MDXVZXBHSYHMHY-UHFFFAOYSA-N	245.391	4.633	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CCCCC12CC2	2253805143	LLDCADVJAFYXON-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1C[C@H]2CCC[C@@H]2C1	2254592649	NNWSSGHTMLSSKV-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc([C@@H](O)[C@H](C)CCC(C)C)cc1	2256318325	RQJQWNXLPFVQBR-PBHICJAKSA-N	248.410	4.745	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H](C)CC[C@@H]2C)cc(C)c1C	2258247492	PJOXMHSCMBREHG-NVGCLXPQSA-N	245.410	4.848	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccc(CC(C)C)cc1	2259439278	UTOSUBNGSSLVMV-NVXWUHKLSA-N	247.426	4.711	0	10	BJAE	
CC(C)(CC[C@H](N)[C@]12CCCC[C@H]1CC2)C1CC1	2260505557	HNDHERFSGMSTHJ-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H]1CCNc2ccc(F)cc21	2261338233	IVAZTBGTFSLWKF-UPJWGTAASA-N	247.357	4.551	0	10	BJAE	
C[C@H](CC1CC1)[C@H](N)C1(C)CCCCCCC1	2298943598	VNQQMVGGDOIWEA-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](C)(C(F)F)[C@H](N)CCCCCC(C)C	2299836115	SPTRDNNQUFSGFY-TZMCWYRMSA-N	249.389	4.602	0	10	BJAE	
CC(C)(C)CCCC(O)(CC1CC1)CC1CC1	2300157365	DTJHIIDEOSRWBF-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@H]1CCCCC1(C)C	2300685603	HGRYCXGLUBCMMQ-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCC(=O)C1CC(C2CCC2)C1	2300699458	GROVDDFGGKAJOF-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC=CC[C@H]1CCCCC[C@H]1CNC(C)(C)C	2300926845	PJLQIWJTCCHCKS-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N[C@@H]1CCCCCC1(C)C	2301708468	UWBAEACUWMUUED-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)CCC1=CCCCC1	2301903900	YJYNINFAOQRBER-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
C[C@]1(CCCCC2=CCCCC2)CCCOC1	2302342635	LGNQPDFHCAKWCB-INIZCTEOSA-N	236.399	4.864	0	10	BJAE	
C[C@@H](CCC1(N)CCCCC1)C1CCCCC1	2302565427	FYRGLJNXQMNLSZ-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@H]1CCC(C)(C)C1	2302691917	VLNSJYZAKNPPAL-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCC[C@H](O)c1cccc(C(C)C)c1	2303717941	RIFFPYOIDHCPFO-INIZCTEOSA-N	232.367	4.590	0	10	BJAE	
CCCCCC(=O)Cc1cccc(C(C)C)c1	2303752848	GJSAJXQOXLCMOZ-UHFFFAOYSA-N	232.367	4.502	0	10	BJAE	
CCCCCC[C@@H](N)C12CC(CC(C)C)(C1)C2	2304393803	KLBVKFWHILMPSZ-QQFBHYJXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)CC[C@H]1CCC(C)(C)C1	2304432481	VUNCSJHHXJHDTH-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@H]1CC12CCCCC2	2307845339	QRJABLCPIXTHAI-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](N)CC2(CCC2)C1	2307907197	KETIVMXCVUBEED-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@]12CC[C@@H](NC3CCCCCCC3)[C@@H]1C2	2310122573	TYWSMBXSUBNMPC-BBWFWOEESA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@@]12CCCC[C@@H]1C2	2311131288	HANQPAYRYJVKFQ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313349128	SHQQKVOVPMAPGD-WCXIOVBPSA-N	249.442	4.645	0	10	BJAE	
COc1ccc(N[C@H](C)CCCC(C)C)c(C)c1	2313564716	XXXXOLKHGCGEAA-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1ccc(F)c(C)c1	2316501062	DZYLLFPGZJAOMF-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2316509085	GDHWMKOZKPKWHQ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2316568430	PUGGTUYEFMLPCB-HRCADAONSA-N	248.410	4.908	0	10	BJAE	
CCCNC[C@@]1(CC2CCCCCC2)C=CCC1	2316997673	BKERJJNSWBRRJZ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)CC1CC=CC1	2317906004	CWENQJODNLRSLQ-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@]1(C)CC1(C)C	2317924165	AEZVBIDESGMROT-INIZCTEOSA-N	249.373	4.797	0	10	BJAE	
CCCCCCc1cc(C)ccc1CNC(C)C	2318379304	IWBRORYOCDYKIY-UHFFFAOYSA-N	247.426	4.616	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@@H]1CCC2(CC2)C1	2318567418	FEFFYJFAFVHZKN-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
O=C(CCCCC1CC1)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2318875229	WEJHSUJESLRWHS-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CC[C@H]1C1CC1)C1CCCC1	2319727774	SQFDMEPUQYAZPA-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(NCC[C@H]2CC[C@@H]2C2CC2)c1	2319738847	RDJGDBJSAWIEOM-NVXWUHKLSA-N	243.394	4.542	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@H](C)C2CCCC2)CC1	2320395519	ADEKCQIAEBIZGY-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@H]2CCC[C@@H]2C)c1	2320578386	QTQNPDOHEUHFTD-YSVLISHTSA-N	246.394	4.670	0	10	BJAE	
CC(C)C[C@@H](C)N(C)Cc1cccc(C(C)C)c1	2320647599	BSZPOUXRFOFVNC-OAHLLOKOSA-N	247.426	4.676	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(CC[C@H]2CCC(C)(C)C2)C1	2321610522	IEPYHWMCFCWAQM-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CC(C)=CCC/C(C)=C/Cc1occc1C	14697015	CKUQXDUZAWSPOV-MDWZMJQESA-N	218.340	4.823	0	10	BJAE	
CC(C)(C)c1ccccc1NCC1CCCCC1	35022600	LHMALHNVLGDCRU-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CC1(c2ccc3cc(O)ccc3c2)CCCCC1	37637150	MEUVHRXEHWUIIY-UHFFFAOYSA-N	240.346	4.767	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1ccsc1	43456193	GYJMKYIRWZWMRQ-NSHDSACASA-N	224.369	4.537	0	10	BJAE	
CC[C@@H](C)C[C@@H]1C[C@H](c2ccccc2)CCC1=O	50426044	FKZZHCXSJRWETD-FVQBIDKESA-N	244.378	4.576	0	10	BJAE	
CCCC1CCC(N)([C@H]2CCC[C@H](C)C2)CC1	71154176	DBZZNCCRJAELRI-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCCC[C@@H]1CC	71160901	YCVSPGQWOCZAQZ-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H](C2CCCCC2)C1	80415753	JPKAEJKWSZCQOV-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C3CC3)C2)c(C)c1	81623127	CKMRKOZUZPQCBS-JKSUJKDBSA-N	243.394	4.684	0	10	BJAE	
CCC[C@H](N[C@H](C)C[C@@H](C)CC)c1ccccc1	88295530	CBUFBUHXUJPALJ-UXLLHSPISA-N	247.426	4.942	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Sc1cccc(C)c1N	91945415	UTPXFDMQOYYLPL-STQMWFEESA-N	249.423	4.638	0	10	BJAE	
CCCNCC/C=C(/C)[C@@H]1CCCC[C@H]1CC	93675132	ODALLTKJLNHZTQ-BRAFPAACSA-N	237.431	4.539	0	10	BJAE	
Cc1cc(F)cc(C(=O)C2CCC(C)(C)CC2)c1	93979097	KLCGFRHLFJRJTQ-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC[C@@H](C)[C@@H](C)n1c(=S)[nH]c2ccc(C)cc21	94660037	MKNGSPQUDXXAOZ-GHMZBOCLSA-N	248.395	4.614	0	10	BJAE	
CCC[C@H](CC)Nc1ccccc1C(F)(F)F	104181162	ZVFCNOXYHJHEEF-JTQLQIEISA-N	245.288	4.696	0	10	BJAE	
C/C=C\C[C@@H](CC)c1ccc(CC)s1	107544222	WYMORJKNQUXJHP-MEQVVJDKSA-N	208.370	4.770	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CC[C@H](C)c2ccccc21	137040858	WKVJOHQEAWVSPL-GRDNDAEWSA-N	246.394	4.598	0	10	BJAE	
CCCC/C=C/c1cc(Br)cs1	137748879	SBEBWQQIXDXYDQ-AATRIKPKSA-N	245.185	4.714	0	10	BJAE	
Cc1cc(-c2c(F)cccc2Cl)ccc1F	160408116	GRTVCEDZWDTNIO-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CCCc1cccc(-c2ccc(Cl)c(N)c2)c1	166074763	VOCYINBJWMBLDB-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
CCCCC(=O)C1CCC(CCCC)CC1	167944299	VEKMXGLNAWVUQF-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C1=CCCCCC1	203418942	KPXLRAGJONCUIV-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCC[C@@H](C)C1	216367346	JVDMVMOMILMLIT-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	251205234	WAMHSZDAILXUFM-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC[C@H]1C)c1ccccc1	251219814	YLCKYIRNZPVGIT-PVAVHDDUSA-N	245.410	4.696	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C[C@H](C)CC	300807911	FMOZLKZBDZQRPC-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)c1ccco1	302276631	IIQZRSLTHLUWPC-ZDUSSCGKSA-N	237.387	4.537	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1ccc(CC)c(CC)c1	305948686	CLNLWCSGSUOENW-SUMWQHHRSA-N	247.426	4.638	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC1CCCCC1)NC	305952418	DBLNZTWWNLNCMM-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](C[C@H](C)CC(C)C)C1	306019573	YESZKFOMKQTCHP-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCc1c(Cl)sc2c(CC)cccc12	306873678	YCHMHEDWXDGEQA-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CSc1cccc2c(S)c(Cl)sc12	307332256	ACCZCDAACFISGC-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)C1=CCCCCC1	308076485	KURQVDVYVMXGPE-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCC1(C/C(C)=C/CCNC(C)(C)C)CCC1	310132420	KYYZBUOBLBRAMT-NTEUORMPSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)C(=O)C[C@@H](C)C1CCCCC1	310585774	VJYWUPWPCVXCBH-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)CC[C@](C)(O)c1cccc(CC(C)C)c1	310684124	KXMPNWALXBDPEX-KRWDZBQOSA-N	248.410	4.529	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@H](C)C(C)(C)C	311046664	HJTOFTSIRMYZQF-BBRMVZONSA-N	248.410	4.916	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@H]1CC2CCC1CC2	311173494	SFTLVXXLBJEVCU-SJJHQCBESA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC(C)C)CCC[C@@H]1C	317845576	SCUAUSMYVYEZMZ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](Nc1cccc2ccsc12)C1CCC1	322497755	CSTYTFDQQFWRHO-CYBMUJFWSA-N	245.391	4.892	0	10	BJAE	
C(=C\c1ccccc1)\CC[C@@H]1Cc2ccccc2N1	323991699	HGZWLNWWBCRTQC-BOHLGEJMSA-N	249.357	4.517	0	10	BJAE	
CCc1cc(NC[C@@H](C)C(C)(C)C)ccc1C	379740686	KSJBNUYWNTUNQH-CYBMUJFWSA-N	233.399	4.652	0	10	BJAE	
CCC1(C[C@@H]2C[C@H](C(C)C)CCC2=O)CCC1	382424010	VCXPRXDCOVIGDD-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H]1CCCC[C@H]1C	384533816	MTAADPKEIMJEFD-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@](C)(O)c1ccc(C(C)(C)C)cc1	384587847	LXEYSICNQQVZLQ-KRWDZBQOSA-N	248.410	4.628	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H](C)c1ccccc1	384890639	LLXXLCUMMILNQN-LSDHHAIUSA-N	246.394	4.966	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](CCC2=CCCCC2)NC)C1	385219983	RMRDJZHPRAKXDX-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc2sc(C(F)(F)F)c(C)c2c1	396202315	SKRHYGKOCYUFHZ-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCc1ccc2c(S)c(C(F)F)sc2c1	396239924	KJESSYRHTPQIFA-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1c(F)c(C(F)F)cc2sccc12	396242605	MTAGWDXJPOUBHY-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCC(C)(C)CCNCC1(C)CCCCCC1	686307794	VRBJZEKGLANCLS-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCCC1CCC1)NC	688371087	WLJDBRWLYGEPRL-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](C[C@H](C)CC(F)F)NCC	688800619	RYOAMYCYWLQQHB-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCCCC[C@H](N)CC(C)(C)C(F)(F)CC	691003543	SKKKSBGMSLWEIE-LBPRGKRZSA-N	249.389	4.746	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)C1CCCCCC1	691190833	XAMLFFOSKFZTDQ-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
C/C(=C/CCNC(C)C)C[C@H]1CC2CCC1CC2	691694624	ASOCTJWXMOPOKJ-FGJZZJRRSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1CCC12CCCC2	694467354	ADANEZKFZGLNJL-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cc2cccc(C)c2o1	696176545	JOZNJZFZLPTJGG-ZDUSSCGKSA-N	245.366	4.567	0	10	BJAE	
CCC(C)(C)C/C=C1/CCC[C@@H]1[C@H]1CCCCN1	696800831	FDAKKVRRGQFTRO-HICXADOFSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2C=CCCCCC2)CC1	697620019	GBKCQZOLDHSEKT-JKSUJKDBSA-N	249.442	4.824	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1ccccc1CC	697775323	ULEMWAUNLZPXDZ-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CC(C)=CCCc1ccc(Cl)cc1Cl	698082469	GVJPVABZWFLUPT-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@H](O)C(C)(C)CC	701069441	RNJXNSWVTXXRAC-BPUTZDHNSA-N	248.410	4.613	0	10	BJAE	
CCN[C@H](c1cscc1C)C(C)(CC)CC	701171807	QPLNOCGSRJBWMR-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@](C)(N)CCC(C)(C)C)C1	704857726	YHXSSEXWXGKHHN-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@H]1CCCC12CC2	706307413	BKUFSVACHYELIR-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCSc1cccc(N[C@@H]2CCCC23CC3)c1	706616704	UFCLNHYQMRPWIU-CQSZACIVSA-N	247.407	4.543	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)CCC1=CCCCC1	708298118	VGTWYJDQMHCRAB-ZFWWWQNUSA-N	237.431	4.667	0	10	BJAE	
CCC(F)(F)C(C)(C)CC(=O)[C@H](C)CC(C)C	709074275	IEQSPWKTZGDNFN-LLVKDONJSA-N	248.357	4.699	0	10	BJAE	
CC(C)CC[C@@H](N[C@H]1CCCC2(CC2)C1)C1CC1	709981560	ZATFJSASBJAEQU-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(C(=O)C23CCC(CC2)CC3)s1	710084008	ABDBMIITXXPQGU-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@@]12CCCC[C@@H]1C2	711224952	RTOIWSBOGDEEOW-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(CN[C@@H](C2CCCC2)C2CCC2)CCCC1	711860758	DQBRJAWFLWUUFV-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(Cl)c1NCC(C)(C)C(C)C	713128901	IHOJMOSOPLYITR-UHFFFAOYSA-N	239.790	4.743	0	10	BJAE	
Cc1cc(Cl)ccc1NCC(C)(C)C(C)C	713133573	ZCRMNDSFGWSZNB-UHFFFAOYSA-N	239.790	4.743	0	10	BJAE	
CCN[C@@H](CC(C)(C)C(C)C)c1ccc(C)cc1	713141719	PRHJWZWVNNSARW-INIZCTEOSA-N	247.426	4.718	0	10	BJAE	
CCCc1ccc(O)c(CCC(C)=C(C)C)c1	718572545	DPGKWFSATCPXGG-UHFFFAOYSA-N	232.367	4.634	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1CCC[C@@H](C)C1	718650320	HESMNQJGGOZKMB-VNQPRFMTSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCCCCC(C)(F)F	718681633	HDFWCSZNUPWYCR-UHFFFAOYSA-N	204.304	4.948	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CC2CCC1CC2	718719461	FITUZLHIZKPAMR-YMAMQOFZSA-N	234.383	4.518	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)c1ccc2sccc2c1	722867132	CTQJOEKYRTUZND-LBPRGKRZSA-N	244.359	4.520	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@H]1CC)C(C)(CC)CC	723107387	YTXGMAHAEMLNAE-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(-c2ccsc2C)c1Cl	1889520252	ZPENNMHDYPERQK-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1csc(C)c1C	1900704044	OQSGMFNGBQXZEM-CQSZACIVSA-N	240.412	4.615	0	10	BJAE	
CC[C@H](CC=C(C)CCCC(C)C)[C@H](C)N	1900900260	JSQZXNAAWXHNGN-LSDHHAIUSA-N	225.420	4.523	0	10	BJAE	
CCC(C)(C)CCC=CCCNC(C)(C)C	1911758859	HHSQKYIUOBMDDH-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CC(C)CC[C@@H]1CCCCCCCC[C@@H]1O	1913397195	CNNHVGDYCBRADR-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](N[C@@H]1CCC2(CCCCC2)C1)[C@H]1C[C@H]1C	1915867758	HGHLVUWDXDCRHL-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCNCC(C)(C)CCC1CCC(C)(C)CC1	1916469025	AGDDCGDMQZCHTL-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@](C)(O)Cc1ccc(C)c(C)c1	1919976658	WYEAAHUJHQNMRK-KRWDZBQOSA-N	248.410	4.567	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@@H]1CCCC12CCC2	1921613500	PFEWTFCJCMSLPY-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(CC=C(C)C)CCCC12CCC2	1921657545	PSIXIOHWILNNSH-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC(C)C[C@@](C)(CNC(C)(C)C)C1CCCC1	1924130835	BELLXTYODLGQIX-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)c1ccc(C2CC2)cc1)C1CCCC1	1924136330	RMRORGZOPWVNOE-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)C(CC)CC	1925889206	JFCZWHFPQQSSHU-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN[C@@H]1C[C@H](C)c2ccccc21	1926175783	LTTWZBWJARSMKK-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CCCCc1ccc([C@@H](N)CC(CC)CC)cc1	1926390157	QMCDZYXMWRFJDB-KRWDZBQOSA-N	247.426	4.855	0	10	BJAE	
CCCC[C@@H](NCCC)c1csc(CC)c1	1936772742	SQAGRGZTFMJTOB-CQSZACIVSA-N	239.428	4.541	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(F)c1cccc(N)c1	1940980786	FLPQHYFJHPZAOP-OAHLLOKOSA-N	237.362	4.670	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CC1(C)CCCCC1	1941252007	OAFRWUZAQBCXRF-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CNC(C)(C)C)C1CCC1	1942093720	VLBICYZVEGTDHG-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(C(=O)O)[C@@H](C)CCC(C)C	1942550207	JKRFGHISDGBASN-DZGCQCFKSA-N	242.403	4.730	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@H](C)CCC(C)C	1942653982	WPESMVBWEDLVEA-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC1(CN)CCCCCCC1	1944843117	PKDYIDSXNSTKMQ-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](C)CC(=O)C12CCC(CC1)C2(C)C	1945634408	IVAJYSNSBSFXMQ-FUJMWEONSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)C=CCCC1(C)C	1949663481	WZABVUOKNQFWGU-XJKSGUPXSA-N	237.431	4.523	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC1CC(C)(C)C1	1949734030	NHVZWLWGZUBWQV-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
NCC[C@H]1CCC[C@@H](CCC2CCCCC2)C1	1950493125	FGLHALPFPGXLGB-JKSUJKDBSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C1(CC)CCC1	1951245462	UAODITWJBNEIQE-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC1(C)CCC(NCC(C)(CC)CC)CC1	1964603444	ARCVOXDWVUBFEP-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(=O)c1ccc(C)c(-c2ccc(Cl)cc2)c1	1968504604	OAFUAIWZLSGJEK-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CC(C)[C@H](C)COc1cccc2sccc12	1969669460	ZYRWORXOSKRIBA-LLVKDONJSA-N	234.364	4.572	0	10	BJAE	
C[C@H](CC1CC1)N[C@H]1CCCC2(CCCCC2)C1	1970520266	INBVFQVZWAUMAR-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cc(C(F)F)cs1	1977100077	UUGMVMUZUZTHDU-MRVPVSSYSA-N	246.322	4.695	0	10	BJAE	
FC(F)(F)[C@@H]1CCC[C@H](CC2CC=CC2)C1	1981977898	VMEJPJLPWLBXSR-VXGBXAGGSA-N	232.289	4.711	0	10	BJAE	
CC(C)[C@@H](C)CCC(=O)c1cccc(Cl)c1	1988294138	ZSSHNORVEOFPQX-NSHDSACASA-N	238.758	4.595	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CCCC(C)(C)C	1988795565	VARHTMOKLBQEAH-OAHLLOKOSA-N	226.404	4.700	0	10	BJAE	
CCCCC[C@](C)(O)CC1(C(C)C)CCC1	1989442285	SLRAINRBPBOEGR-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@@H](C)CC(C)(C)C	1989804588	BHJCRQQNQJTKJJ-SWLSCSKDSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H](C)CCN[C@@H](C)C1CCC(C)(C)CC1	1996550197	XXBYRQSCHKZINI-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCC2(CCC2)C1	1998695826	KQYQOYRDVBTMQM-GFCCVEGCSA-N	249.785	4.783	0	10	BJAE	
Cc1csc([C@@H](N)C[C@@H]2CCC=CCCC2)c1	1999994153	RLPZONUGQOZOFM-KGLIPLIRSA-N	249.423	4.583	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@H]1CCCC(C)(C)C1	2000151680	UVEARJIRJGONAV-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)C)CCC(F)(F)CC	2000311686	CQNFDZJANUKFFA-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCNCC(CC)(CC)[C@@H]1CCC[C@H](CC)C1	2000500636	WPSYJKNLCKXZTD-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCCN(CCCC)C[C@@H](CC)CC(F)F	2000904924	JJSPXASJHCIPOF-ZDUSSCGKSA-N	249.389	4.570	0	10	BJAE	
Clc1cccc2c1ccn2[C@@H]1CC[C@@H]2C[C@H]2C1	2001463692	KPPUKBMFOADMMU-GRYCIOLGSA-N	245.753	4.656	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@H]1CCC12CCC2	2001852703	XBXLQTLODQASCW-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H]1CCCCC(F)(F)C1	2003175158	JFMUZCYQBOPJFQ-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
C[C@H](Nc1ccc2sccc2c1)C1(C)CCC1	2004837834	UXFZWPHKBKTUMF-NSHDSACASA-N	245.391	4.892	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@H](C)CCC)CC[C@@H]1C	2006956575	HYTDUZAYDULMKB-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@](N)(CC)CC1CCCCC1	2009570155	XLSCSZVUZQMPMP-WMHVBEDNSA-N	237.431	4.811	0	10	BJAE	
Cc1ccc(Cl)c(NCC[C@]23CCC[C@H]2C3)c1	2010996280	YETFZLRXXXOVOK-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011983038	NTTGKXDDFUNPJW-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)C=CCC(C)(C)C1	2012065631	WRCYPQTXOXZLAS-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
C[C@H](NC1CCC(C)(C)CC1)C1(C)CCCC1	2014338233	HSZGBXSHDUBVQF-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@@H](C)CC1)C1(C)CCCC1	2014340095	PBJOMVVVHQXDNK-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CCC(C(C)C)C(C)C	2015333702	CUFYPOBEGABTKZ-GDBMZVCRSA-N	242.447	4.882	0	10	BJAE	
CC[C@](C)(CNC(C)C)CC(C(C)C)C(C)C	2015411933	JMTVMDIIGARTRB-INIZCTEOSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@@H](C)CC(C)C)CCC1	2015643707	FRYQFQMHXXBSOJ-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
c1cc2cc(N[C@@H]3CCC4CC3C4)ccc2s1	2015648869	UVFRJSASNCMUEE-MMWSSPAHSA-N	243.375	4.502	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@]2(C)C=CCC2)CCC1	2017129528	PQCXLFLVMXZYKE-OAHLLOKOSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)C1(C[C@@](C)(N)CC2CCC2)CCC1	2017139379	UWUIKGSKOXPHGP-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@H]1CC[C@H](C)CC1	2017719254	AIFYFSYZUITQQI-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](CC)CC1)C(C)(C)C	2017727568	BHZCETFTFVIFBQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@@H]2CC)CC1	2017728890	QCJXKLCZQWPFLJ-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCCC[C@@H](N)C2)CC1	2017731723	VAOCOIVFCVGRDQ-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CCC[C@H]2C)CC1	2017731730	VDUTZNBGDZAGGE-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C(=O)C[C@H]2CC[C@H](C)CC2)CCC1	2017775309	AAZOHFUSKYRFBH-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)C[C@@H](C)CC(C)(C)C	2017787777	LAXIWLKNBJGLDG-KBPBESRZSA-N	241.463	4.815	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCC[C@H](CC)C2)CC1	2018915253	FDMSMBAEDZZGMP-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC([C@H](O)CC2(CC)CC2)CC1	2018967809	OFTNKCYWIZFPNA-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CCCCCCCC2)C1	2019202992	NKCSCTFOXXQBQU-JKSUJKDBSA-N	237.431	4.611	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCC(C)(C)[C@@H]1O	2020406314	SMYGJGAIXUTOJL-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@H]1CCC)CC(C)(C)C	2022484347	OHMDHSZGMPQWRZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CCCCC(C)(F)F	2023353223	LAGBFGAJTSCTSC-GXTWGEPZSA-N	249.389	4.746	0	10	BJAE	
CC[C@@H](C)CCN(C)C[C@@H]1CCCC(C)(C)C1	2024097353	GGOIBFWNHVBZBH-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CC=CCCC[C@H]1CC(C)(C)CC[C@H]1NCC	2024126385	WSZZFRMAQBKAHQ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCCC)[C@H]1C[C@H]1C	2026080270	FGLJHFBTYBZGLU-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1cccc(C2(C)CC2)c1	2028551569	HLUXLZOAENGSLC-CYBMUJFWSA-N	244.378	4.603	0	10	BJAE	
Cc1ccc2ccn(CCCCCC3CC3)c2c1	2028633716	LDYIXZZLCBYMAI-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1ccccc1C1CCC1	2029069840	NRSIHSHSENGTHD-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CCN[C@H](CC1=CCCC1)C1C[C@H](C)C[C@@H](C)C1	2030228506	BBINEUHFZHSFCF-CKEIUWERSA-N	249.442	4.537	0	10	BJAE	
C[C@H](Nc1ccc(C2(C)CC2)cc1)[C@@H]1CC1(C)C	2032242498	IGZLAFMRIBCSAC-WFASDCNBSA-N	243.394	4.585	0	10	BJAE	
CN[C@H](c1ccccc1C1CC1)C(C)(C)C(C)C	2032338002	BNYAILZASLAGAM-MRXNPFEDSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@H](C1=CCCC1)C(C)(C)C1CCCC1	2032347609	YZPMEGSNNSXTBQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
NC1(C2CCCCCC2)CC(C2CCCCC2)C1	2033786374	ZGKDAUQHSNQHDQ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC(C)(C)NCCC=Cc1ccccc1	2034904992	VNWZEZHQDQBOTF-UHFFFAOYSA-N	245.410	4.504	0	10	BJAE	
CC=C[C@@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1	2034977210	IEGKZKFHWROQGU-KGLIPLIRSA-N	245.410	4.599	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C[C@@H](C)CC(C)C)cc1C	2037107034	UDAJPVPUQFYHDE-SJCJKPOMSA-N	247.426	4.684	0	10	BJAE	
CC[C@@](N)(C[C@H](C)CC(C)C)c1cccc(C)c1	2037107060	USHIRVGLFSSVIX-NVXWUHKLSA-N	247.426	4.631	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)CC1CC2(CCC2)C1	2038087533	JANDSWUERTXCKL-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@@H](NC2CC3(CCC(C)CC3)C2)C1	2038912703	KSJPIKCBUPJRCS-CHTYNLMKSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1c(C)cccc1F	2039446229	FGQMYUYCQYXUOJ-TZMCWYRMSA-N	247.357	4.538	0	10	BJAE	
C[C@@H](NC1CCC=CCC1)C1CCC(C)(C)CC1	2040637458	BKDRTZWHZZFBJT-CQSZACIVSA-N	249.442	4.680	0	10	BJAE	
CCC[C@@H]1C[C@@H]1N[C@H]1CCCC2(CCCCC2)C1	2040763615	RSCKENMMMLEZMP-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
C=CC=CCC[C@@]1(O)CCCC2(CCCCC2)C1	2040763846	VIQGOQFSXIGBLP-QGZVFWFLSA-N	248.410	4.764	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@]1(C)CC=CCC1	2042018674	HWXIOXVBFCRFPY-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC(CNC[C@@H]2CCC=CCCC2)C1	2045321310	UQUWEYWECVQSKO-KLAILNCOSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCC=CCCC2)C[C@H]1N	2045325182	BZEAQPOYJYLOPV-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)[C@H]2CC23CCCCC3)C1	2045508989	XYDMILBTIUEZAK-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C(=O)[C@@H]2CCC3(CCCC3)C2)CCC1	2045563283	IANLOCJXOIQSJD-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2CC23CCCCC3)CCCC1	2047011455	XNPRQPNEBFPHKE-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CN(C[C@@H]1CC12CCCC2)C1CCCCCCC1	2049782523	JWDNXYWETMIJAI-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CN[C@@H](C[C@H]1CCCC2(CC2)C1)C1(C)CCCC1	2049862338	WBDLGKKAQYFYRZ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@@H]1CCCC2(CC2)C1	2049949393	YWKKRQMOKJIRSR-LSDHHAIUSA-N	248.410	4.886	0	10	BJAE	
CC1(CN[C@@H]2CCCCC23CC3)CCCCCC1	2053333136	SYNXJBDRSHWSBX-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc(CCF)cc1	2055675163	VEYURKWUUABQSJ-GOEBONIOSA-N	249.373	4.579	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@@H](N)CCC1=CCCCC1	2056446500	GIISTUSMXDKDFI-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C1CC(C2CCC2)C1	2057497717	LBFHQECJAIJQBP-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCCCCC1)C1CC(C2CCC2)C1	2057499069	YSCBFYKNCVYQAG-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@H]2C[C@H]2C2CC2)CC1	2058991989	NYOCOGJBBSPGNG-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCCC(=O)c1ccc(C(C)(C)C)cc1	2059203571	LPJZAJGOJHLHMD-AATRIKPKSA-N	244.378	4.913	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H]1C[C@H]2C[C@H]2C1)NCCC	2059251248	YIZOIUYRTGEFAN-ONLIHJCWSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC=C(C2(O)CC3(CCCCCC3)C2)CC1	2060918898	RDKGAPQYWYROQP-AWEZNQCLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](Nc1ccc(C)c(F)c1)c1occc1C	2063671521	LFYUEYFDRAPPEL-CQSZACIVSA-N	247.313	4.599	0	10	BJAE	
C[C@@](N)(CC12CCC(CC1)CC2)C1CCCCC1	2065282656	SVPCXVHSLYQANY-ARWYELJZSA-N	249.442	4.645	0	10	BJAE	
C(CCC1CC1)CCN1CCC2=C(CCCC2)C1	2065849802	BLUUOPDUKSZRDV-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
CCNC[C@@H]1CC12CCC1(CCCCCC1)CC2	2065898152	RCIBEIJMKGBUEU-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@@H](C)c1ccccc1	2065992558	JRJZUNOQLGWHCJ-NVXWUHKLSA-N	247.426	4.724	0	10	BJAE	
O=C(C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCCCC1	2068702416	IFHAYUISCRNTFE-MKZZRHPPSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@@H](NCCC)c1cc(C)c(C)o1	2068907871	ARJCLVRURHMZRR-OAHLLOKOSA-N	249.398	4.684	0	10	BJAE	
CC(C)C(CCC(=O)C1CC(=C2CC2)C1)C(C)C	2068996767	FEKHCSFVWHLZID-UHFFFAOYSA-N	248.410	4.764	0	10	BJAE	
CCCC1(CN2CCC3(CCCC3)CC2)CCC1	2069268587	UIFVZGCDYWBQQJ-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@]23CCC[C@H]2C3)CCCC1	2070954598	JCNKEUCWWUTZPS-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CC2(C(C)C)CCC2)c1	2071957412	ZNZUTMKWIXPNIP-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
C[C@H]1CC[C@H](CC2(CN)CCC3(CC3)CC2)CC1	2072801417	NUPHQAMJCPRJDG-SHTZXODSSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)C2(CC3CCC3)CC2)CC1	2072801782	QVLXTDASMXRAPQ-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2=C[C@@H](N)CCCC2)CC1	2072814350	BIDDZGOKMWBXAR-ZOBUZTSGSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC(N)(C[C@]23CCCC[C@@H]2C3)CC1(C)C	2074025986	RKHRYMKJBLTVSU-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CCC1(N)CC(C[C@@H]2C[C@@H]2C2CCCCCC2)C1	2079710838	NOHYHSMYYDKQSN-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@]1(C)C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2079854721	XMCULIDBSHLTAC-DYWXZXKOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CC3CCC2CC3)C1	2082980848	YNAQIXJTDPUGTA-KXJMLMMSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2CCC3(CC3)C2)C1	2082981461	DENOGWMTBMKKRV-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1ccc(CC)cc1	2086053130	IRPJDEJQZNJCJL-WMLDXEAASA-N	247.426	4.855	0	10	BJAE	
Cc1cc(Cl)cc(O[C@H](C)CCC(C)C)c1	2212533453	TWPNJNCZUGABHR-GFCCVEGCSA-N	240.774	4.852	0	10	BJAE	
CCCC1(CC[C@@H](N)C2CCCCC2)CCC1	2214767724	OUOFZKVFXVZPQJ-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)C1(C)CCC(C)(C)CC1	2215105923	QKXIFZUBHWEJPB-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC1(C)CC(C)(C)C1)NCC	2215402170	TYMVZDPXUGNVJC-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)CC1(CN[C@@H](C)CC)CCCCC1	2217140396	QEKAGARXBMAONH-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NCC1([C@H](C)CCC(C)C)CCC1	2217148517	DKNYBDHOMKEMNE-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC(C)C)C1CCCC1	2217154291	SLOCQMHGBUGNTQ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CCCCC2CC2)c(C)c1	2220030193	JTQQJURFDQWDMW-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
C[C@@H]1CC[C@H]1CN[C@H]1CCCC2(CCCCC2)C1	2220609306	VJRUZQYHWRYMFQ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(NCC[C@@H]2C[C@H]2CC)cc1	2220929710	ROHRVIQKHCMAHY-HZPDHXFCSA-N	245.410	4.877	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2220961864	OTIRYHHFJMMBJP-XFIYOXNOSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C[C@@H]1CCC[C@@H]1C)[C@@]1(C)CC=C(C)CC1	2221620336	YNDDTZSPENQSHL-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H]2CC=C(C)CC2)CC1	2221667630	MARDBVNXDMIMJC-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1C(=O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222948550	IZZHOLAAGJAWNN-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC2CCC2)CC=CC[C@@H]1C	2223539933	SCPJWHVBBDHHPL-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC2CCCC2)CC12CCC2	2223547310	DOXABCYQDHUHTB-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(CNC2CCC2)C=CCC1	2223576069	FIAXYYOHAMKPKX-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(C(=O)C(C)(C)CC)s1	2242605494	YTUHEHPTWGOLSI-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H]1CCCCC12CC2	2246614906	PHCORARBPUBNLW-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1CCCCC12CC2	2246616337	BOWKZOJSIRJAQT-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
CC1CC(C)(C(=O)c2cc3ccccc3s2)C1	2246951212	FWDVIEKCHVLROJ-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CCCC[C@H]2C[C@@H]2C)C1	2247095676	DNGHKJSNWHAJIS-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)[C@H](NC)c1cc(C)c2sccc2c1	2248578987	PDICACWJGLUTOR-HZMBPMFUSA-N	247.407	4.516	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1CC=CCC1	2248813384	DWOOHWYVCDHTFV-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@@H](N)C1(C)CCCC1	2248843873	VUKRWPKMEXSBKQ-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C(C)(C)CCF	2248854299	OIFPQRDGZJVCFJ-OLZOCXBDSA-N	242.378	4.548	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(O)C1CCC1	2250494156	UYIUFGKPCUZDIN-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
O[C@@H](CC1CCCC1)c1ccc2ccsc2c1	2253062360	RYARDUFVLBQMFX-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CC(C)CCC[C@H](N)c1ccc2ccsc2c1	2253065644	PFKXYRLJYPXXHE-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CC1CC(C)(C[C@H]2CCCNC23CCCCC3)C1	2253684404	OPQAVGSFHZHGJA-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@@H]2CCCCC23CC3)C1	2253812886	YYLBFJRAFIILMT-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@@H]2CCCCC23CC3)C(=O)C1	2253880256	IDJSDNXDDKZHSJ-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C=C=CC[C@H](CC[C@@H]1CCC[C@H](C)C1)NCCC	2253928082	DQVADQOHAWCEIE-YESZJQIVSA-N	249.442	4.692	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)CC1CC2(CCCC2)C1	2254118017	CPJWNTTXTMUSRH-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H]1CCC12CCC2	2255013344	MNWKOEOKSSHJJS-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@@H](C)C1CCCC1	2255133875	QKFRZLCQOZJZJS-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H]1C[C@H]1CC(C)C	2255136956	PMJJOKQCDUFEIP-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCC)c1ccc(CCC)cc1	2256293588	GGXWXDQXAWMWHJ-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC=C1CCC[C@@H](CCN)C1	2257254559	HCJVHVZBAHEWKG-PVAVHDDUSA-N	249.442	4.668	0	10	BJAE	
CC(C)(C)[C@H]1CC=C(C2(O)CCC=CCC2)CC1	2257919804	RTLHHKWBIZVQMO-AWEZNQCLSA-N	248.410	4.620	0	10	BJAE	
C[C@H]1CC[C@@H](CNc2cc(C3CC3)ccc2F)C1	2259116310	PCFCDIJZHDIBCC-NWDGAFQWSA-N	247.357	4.551	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@]23CCC[C@@H]2CC3)C1	2260672164	OAYCGBYKGXODLR-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CCCCC1CC(N)(C[C@]23CCCC[C@H]2CC3)C1	2260678997	OTSMCNJHYGVRMR-VUROTCPHSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC1CC([C@H](N)C[C@@H]2C=CCCC2)C1	2261202491	QTWYXZYVXYAGQJ-PRLABOORSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1CC=CC[C@@]1(N)CC1CC(CC(C)(C)C)C1	2261299130	HCNDQTZTVIFVNE-PBMMVSLJSA-N	249.442	4.523	0	10	BJAE	
CC(C)CCC[C@@H](C)NCCC1(C)CCCC1	2298842762	XBAAEKXTDRIHNG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H](C)CC1CCC1	2298917056	UICZGUPHFSFLFX-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@](C)(N)[C@@]12CCCC[C@@H]1C2	2300704970	YSFAVIZRSRLXCJ-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@H]1CC=CCC1	2300704975	YSGBRMSSVWPUQS-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC=C(C)CCCC(C)C)NC	2300910895	DTZCIIDVAKRLOH-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)NC1CCCCCCCC1	2301689217	QRISKKMPKJQQAE-LSDHHAIUSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H](C)[C@@H](C)C(C)C	2301845732	ZUXYPFQFBQHLKA-ARFHVFGLSA-N	239.447	4.639	0	10	BJAE	
N[C@@H]1CCCCC[C@H]1CCCC1=CCCCC1	2302362420	YWIRCZMNOHHMBO-JKSUJKDBSA-N	235.415	4.565	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303470752	JYLQOPNTCHCOKZ-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](C)CCNC[C@H]1CCC(C)=C(C)C1	2303592940	QEUFTYXWHICRHM-CJNGLKHVSA-N	237.431	4.539	0	10	BJAE	
CC[C@](CN)(CC[C@@H]1CCC(C)(C)C1)C(C)C	2304413571	WDLGQKINEMFLPK-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CCC(F)(F)CCC1=O	2307801794	QBUVSKGESITACD-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)C1CCC(C)CC1	2307837374	GWCLEDXSKRCSMJ-BHDPWAOGSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@H](N)CC2(CCC2)C1	2307907196	KETIVMXCVUBEED-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@@H]1C[C@H]1C1CCCCC1	2311537812	LWKIMLCOZCBCFC-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@]23CCCC[C@@H]2C3)C1	2312670142	LKVMABQXTNXVRV-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CC(=CCN[C@@H]1CCC[C@H]2C[C@@H]21)CCCC(C)C	2316489024	FWVAKEUXWKUBDM-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1c(C)cccc1F	2316511509	TUYVYDAVBGHQFD-HNNXBMFYSA-N	249.373	4.531	0	10	BJAE	
CC(=CC[C@@H](N)[C@@]1(C)C=CCC1)CCCC(C)C	2316578170	CWWMRRYUYKMBQW-SJORKVTESA-N	249.442	4.833	0	10	BJAE	
C[C@]1(CC[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCCN1	2318844599	WSAVPNCIVXVURP-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@H]1CCC(C)(C)C1	2319108711	QWWLGQYFLXUTFA-CQSZACIVSA-N	244.378	4.784	0	10	BJAE	
N[C@H](CCCCC1CC1)CC[C@@H]1CC[C@H]1C1CC1	2319687248	UWMBZNPJXHCCKQ-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC[C@H]2CC[C@@H]2C2CC2)C1	2319749219	MNQMIKBMNLCXJX-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](NC2CCCCCCCC2)CC1	2320239507	DVGZVLBALLIZCK-QGZVFWFLSA-N	249.442	4.968	0	10	BJAE	
CC(=C[C@@H]1CCC(C)=C(C)C1)C[C@H]1CCCCN1	2320349003	VWSURNUCPHSMCY-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2CC(C3CC3)C2)CC1	2320409602	WJEHIDDEAGGRPI-IUDNXUCKSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc(C(C)C)c([C@]2(O)CCCC[C@@H]2C)c1	2327696755	IDHYGNZWIPAIGP-YOEHRIQHSA-N	246.394	4.516	0	10	BJAE	
CC=C[C@](C)(N)c1ccc(CCCCCC)cc1	2327924009	RANYXNMFSROWGZ-KRWDZBQOSA-N	245.410	4.559	0	10	BJAE	
CCNCC1(C2=CCCCC2)CC(CC(C)C)C1	2328522074	GHBODXCFAJOBLC-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](c1ccc(CCC)cc1)[C@@H](C)CC	35582847	VRNXYGRZYPOFKH-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CC(C)[C@H](C)Nc1ccccc1-c1cccs1	37075706	CSSMBSXVHMXNMV-LBPRGKRZSA-N	245.391	4.872	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccccc1[C@H](C)O	49542728	WDEXFOVAMGDOFK-KBPBESRZSA-N	249.398	4.511	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2ccc(C)c(C)c2)C1	87984611	HWKXRSFVYMMTFV-CABCVRRESA-N	244.378	4.703	0	10	BJAE	
CC[C@@H](C)c1cccc2cc([C@H](N)C(C)C)oc12	88074859	HXWTWWMZZLWXSD-IAQYHMDHSA-N	245.366	4.602	0	10	BJAE	
CCCN[C@H](C)C1CCC(C(C)(C)CC)CC1	91353940	RKICBIOUCMSFQA-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CC(C)C)CCCN1	91446508	WFOPKFBTOFOGLK-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCCCC(C)(C)CNCc1ccccc1C	94985069	QVRZROMDHAYGFO-UHFFFAOYSA-N	247.426	4.691	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(OC)cc1C	103978924	LREGNSGPHVKXMZ-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@]1(N)CC1CCCC1	109704161	XSTTWPLXQNZTLF-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
C1CCCCCC(NC2CCC2)CCCCC1	109949973	BNWUGUGUQHDDAX-UHFFFAOYSA-N	237.431	4.802	0	10	BJAE	
CCCCc1ccc([C@@H](C)NC[C@@H](C)CC)cc1	109955126	DFVPRWQVFKIUMA-LSDHHAIUSA-N	247.426	4.726	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@@H]1CCCC[C@@H]1CC	122970714	NYZZSZIVCQGWFG-IMJJTQAJSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1C(C)(C)C1(C)C	124977116	XQQBXCNTTCYWDN-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc2[nH]c3c(c2c1)C(C)(C)CC(C)(C)C3	125063803	TYMZZWYXWXCETQ-UHFFFAOYSA-N	241.378	4.726	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCC(C)(C)C[C@@H]1C	155864903	SFXUVZBPJHMTTJ-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)[C@@H](C)C(C)C	160990331	CEUVHBBFFQDWMM-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@H](O)CC1CCCCC1)c1ccccc1	203687645	FSJMHCXREDOYBT-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H]1CCCC1(C)C	226564348	LNGPXQCSTOVBRU-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)c2ccc(C)c(C)c2)C1	227390770	OTJNZGCJFGTJHW-YQQAZPJKSA-N	245.410	4.520	0	10	BJAE	
CCCCC[C@H](C)c1c[nH]c2c(F)cccc12	232981142	HAFPENAWOXVQSH-NSHDSACASA-N	233.330	4.991	0	10	BJAE	
CCc1ccc(N[C@H]2CCC(C)(C)C2)cc1C	302308132	NJIJQATXGNWXBV-HNNXBMFYSA-N	231.383	4.548	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)C)[C@@H](C)CCC	302415449	TUMVIXMABQYPNG-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@@H](C2(CN)CCCCCCC2)C1	302485767	ICTHYBSYRVXGMY-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
Cc1c(Cl)cc2ccsc2c1Cl	307178850	ZPHQMKJTBZUVOH-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCc1cc(Cl)c2scc(Cl)c2c1	307527717	LJWKNARMRPAPAX-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccccc1C(C)C	310125444	WGVCHDJJZFCRTC-CYBMUJFWSA-N	232.367	4.819	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](CC)c1cccc(C)c1	310716458	WORXAZIFGAUWDC-JLJPHGGASA-N	247.426	4.860	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)c1ccccc1C(C)C	310809623	GBHOKAUUQWLLDW-LSDHHAIUSA-N	247.426	4.692	0	10	BJAE	
Cc1cc(C)c([C@@](C)(O)CCC(C)(C)C)cc1C	310880620	UXILWAMNGROSCU-KRWDZBQOSA-N	248.410	4.646	0	10	BJAE	
C[C@H](CC(=O)c1ccc(F)cc1)C1CCCCC1	310920204	AEJJGLQBPVJBEB-GFCCVEGCSA-N	248.341	4.615	0	10	BJAE	
CNCC1(C2CCCCC2)CCCCCCC1	317436161	RDNMCWGKCVBLSA-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCNC[C@](C)(CC)C1CCC(CC)CC1	318672392	VXXRIOUVWHFBAF-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)CCC[C@H](CC(C)C)C1	319687509	RYVKBGPIVWIVOV-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H](C)[C@H]2C[C@H]2C)cc1	322149862	IDQJFPFXVAQRMD-VLXAULBPSA-N	231.383	4.657	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC(C)(C)CC1)C1CCC1	324675306	PJYQKELWKUSTNL-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCc1cccc(OC[C@@H](C)C2CCCCC2)c1	380896517	LTAQMPGWZGALPS-CQSZACIVSA-N	246.394	4.844	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCCC[C@H]1O	383088948	BRMNZJSMIPMJJY-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CNCC)CC1CCC(C)(C)CC1	383654786	IBHZVIQWECMZCB-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@@](C)(CC)CC1CCC(C)(C)CC1	383909343	OUNAIXIFFGENJW-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@H]1CC1(C)C	385173028	MLRDYYFXNHCRMQ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@H](CCCCNC(C)(C)C)C1	394621713	MGMLOESPZRBYCG-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCNCCCC1CCCC1	394776593	XJZQZANDEPUVQP-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCCCCNc1ccc(C(F)F)cc1	395296442	DXDPPDRHZKRXAN-UHFFFAOYSA-N	227.298	4.616	0	10	BJAE	
CCc1csc2cc(S)cc(C(F)F)c12	396247963	QRRWLWUVLOCZGR-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
Cc1cc(S)c2scc(C(F)(F)F)c2c1	396293943	FDNBQTIPCYWCIO-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@H](Nc1ccc(C)cc1C)[C@H]1CC1(C)C	397581518	FXSKZLBCLIGTDL-ZBFHGGJFSA-N	245.410	4.930	0	10	BJAE	
CC(C)=CCCN[C@@H]1CCC[C@H](CC(C)C)C1	397678160	RMNNYRORYMUOIL-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](NCC)c1csc(C)c1C	399831166	OEUKFCSLBSGKPC-CQSZACIVSA-N	239.428	4.596	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@H]3C[C@H]2C3(C)C)c1	400653189	NEUMLDOGTUFPRC-NUEKZKHPSA-N	243.394	4.540	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H]1C[C@H]1CC(C)C	401017298	BXPBTVCUNGDEKI-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
Clc1ccc2oc(CC3=CCCC3)cc2c1	401051995	BEVMDEYRPWMZIJ-UHFFFAOYSA-N	232.710	4.739	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)[C@@H]1CCCC1(C)C	402340781	JQCXCYYGMYLTFN-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCC1)Nc1ccc2c(c1)CCCC2	404640718	LJKJILLMCBNDHK-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
Cc1cc(C)cc([C@H](C)NCCCC2CCC2)c1	689011612	JDKXXJIHPHSBKL-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CCCC[C@H]2C)c1	689616540	ZIMJGEZYNAKILZ-CJNGLKHVSA-N	245.410	4.802	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccc(C2CC2)cc1	690087251	FIUYWDGTMLAWME-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCCCC[C@@H]1CC	691099861	KXGYKDKEWLUKPL-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)c1ccsc1	696651741	LICOVYFSEQHOEY-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCNC[C@H]1CCCCC[C@@H]1CCC=C(C)C	697775515	ZPUKKAMOUASUIL-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	699136561	SXGIUPAJFJMTEX-NFFDBFGFSA-N	238.415	4.700	0	10	BJAE	
Cc1ccc(C)c(NC2C(C)(C)CCC2(C)C)c1	699615553	BYKTVJTVKCQNHO-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
C1=CCC(CC[C@H]2CC3CCC2CC3)C1	700884062	VOUOJAQEWJTOQN-NRXISQOPSA-N	204.357	4.559	0	10	BJAE	
CCCN[C@H]([C@H]1CC[C@@H](C)C1)C(C)(CC)CC	701131819	BVVNIVAVRHMYDH-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]([C@@H](CC)CC(C)C)C(C)(C)CC	701165399	NGEHLBORJZZXGL-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc(C)cc1Cl	704552807	CULOXZYPBGFGMA-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)C1=CCCCCCC1	704593408	XGKOICNCKSXXIZ-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
CCCc1ccccc1[C@](C)(N)CCC(C)(C)C	704865426	UGYHFBYEMCISIZ-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CC1(C)CCC(C[C@@](C)(N)C2CCCC2)CC1	704896346	BDJXOVFUAVFLLH-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2CCCC23CC3)n1	706289882	PXHHWCOFYXYKGB-WDEREUQCSA-N	235.396	4.704	0	10	BJAE	
C[C@@H]1C[C@](N)(CCCC(C)(C)C)c2ccccc21	707763136	RYEQBXJGQOTVCC-CXAGYDPISA-N	245.410	4.564	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C[C@H](C)CC(C)(C)C	709070207	BKWSNCFIWHVPPC-SWLSCSKDSA-N	248.410	4.799	0	10	BJAE	
CC[C@](C)(CNC1CC1)C[C@@H](C)CC(C)(C)C	709109727	XIISWNRUZSQWAN-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)CCCC(C)(C)C1	709146131	QLTQFPDDWDPUDJ-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@](CC)(C[C@@H](C)C(C)(C)C)C(=O)O	710701042	SGHMOLGUDWCKDN-IUODEOHRSA-N	242.403	4.730	0	10	BJAE	
C[C@H](C[C@H]1CCNc2ccccc21)C(C)(C)C	711137547	WUJNNRSUKCUIPE-CHWSQXEVSA-N	231.383	4.658	0	10	BJAE	
CCC(C)(C)CCN[C@@H](C)c1ccc(C)s1	711319660	HJWHPZHWKOAMJF-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
C1CCCC(N[C@H](C2CCCC2)C2CCC2)CC1	711831459	KKFIUBQAKAORJY-QGZVFWFLSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@H]1CCCC1(C)C	713125007	KYJKLNWPQSWFFC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(CC(C)(C)C)CCCC[C@H]1C	713313253	IVPCQRGGXPIGRI-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](NCCCCC1CC1)c1ccc(C)cc1	716396687	CUIPYSVVUREICO-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@H](CCCCC(C)=C(C)C)C1CC1	718655561	YSJOVXFMUYUXSL-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1ccc(C(C)C)cc1	718692674	OJTICYVAHXTDJK-KRWDZBQOSA-N	246.394	4.980	0	10	BJAE	
Cc1cc(S[C@@H](C)C(C)C)nc2ccccc12	1307261757	AXVDEBFNDVHOBI-LBPRGKRZSA-N	245.391	4.680	0	10	BJAE	
c1ccc(C2CC2)c(CSCCCC2CC2)c1	1307331269	PENGYZWMPLQKDL-UHFFFAOYSA-N	246.419	4.987	0	10	BJAE	
CCC1CCC(NC[C@@H]2CCC=CCCC2)CC1	1560613769	KKNSUGBPAHQDPN-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CC(=CCCNC(C)C)C[C@@H]1CCC[C@@H](C)C1	1879519868	KRSZADLAZYHWQO-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCCCCOCc1ccccc1	1880022945	IGQNMZGRJRMFJU-UHFFFAOYSA-N	232.367	4.730	0	10	BJAE	
CC(C)=CCc1c(Cl)cc(F)cc1Cl	1886327689	IQRNOEUTFOQEQS-UHFFFAOYSA-N	233.113	4.641	0	10	BJAE	
CCC(C)=CCc1ccc(C)cc1Cl	1888066416	UJOACCKYOCKHRK-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@H](C)C(C)C)c1Cl	1901625730	MUSHLZDJBVLUQP-VXGBXAGGSA-N	239.790	4.741	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC)CNC(C)(C)C	1905368268	GLVUAUDFAIIAEC-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)CCCCC1CC1	1905381810	LWVPUQQBVCPRLT-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc([C@@](C)(O)[C@H](C)CCC(C)C)c(C)c1	1919920683	RVUABBJUXJWXMA-WBVHZDCISA-N	248.410	4.583	0	10	BJAE	
CC(C)CCC[C@@](O)(CC(C)C)c1ccccc1	1920024303	DBNWXYVYAYIYIF-QGZVFWFLSA-N	248.410	4.747	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)c1ccc(C2CC2)cc1	1920206104	YJFZMEFDGVBNIL-GUYCJALGSA-N	245.410	4.564	0	10	BJAE	
CCCC1CC(CN[C@@H]2CCC3(CCCC3)C2)C1	1921230100	QVCNQBWEDYCMNV-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)CCC1CCCC1	1924125792	OHUAJEOWAFAPPV-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
NC[C@@H]1CCCC2(CCC2)[C@H]1C1CCCCCC1	1924838714	PJQMODXCGPRRNR-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
Cc1oc(C)c(C(=O)C[C@@H]2C=CCCCC2)c1C	1925786853	RQWFNFZNIBYAHP-CQSZACIVSA-N	246.350	4.524	0	10	BJAE	
Clc1sccc1C[C@@H]1C=CCCCC1	1925854649	PBDJJONANCWXTQ-SNVBAGLBSA-N	226.772	4.690	0	10	BJAE	
CCC(CC)C[C@H](N)c1ccccc1C1(C)CC1	1926386042	ZEVAYJZCMVTAQK-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CCC(C)(CC)CN[C@@H](C)CCC(C)(C)C	1936271539	RGPOZWLJWQLMSE-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C[C@@H](C)CCC(C)C)NCC	1939123317	VHDUZOXVQAPYSL-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@H]3CCC[C@H]32)cc1Cl	1940414679	USELTVZBVDWFCM-UXIGCNINSA-N	249.785	4.503	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1CC(C)C1)NCCC	1940682363	KASLKKGKGPFQBI-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)CC1(C)CCCC1	1940791351	UNNXKWNEVJZFEZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)CNCCC[C@H]1CC1(C)C	1940878729	WYPBWJHWWYKRHY-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](C)(F)c1ccc(N)cc1	1940968403	XOJNQRACFXNPCO-DOMZBBRYSA-N	237.362	4.526	0	10	BJAE	
CC[C@@H](CCC1CCC(C(C)(C)C)CC1)NC	1941145370	YJCSHTOVKFRYAV-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](N)CC1CCCCC1	1941267911	YMCFKLZATBCNHH-JKSUJKDBSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)CC1CCCCCC1	1942651793	ALQQKRGRXPLHSB-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@@H]1CCC[C@H]1C	1944848295	CZTPRDHQSZAIJD-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)CCCC(C)C	1947465458	VKAIFGBURZRLMU-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2C=CCCC2)CC1	1947551474	GFWAULOAUYVZOH-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC[C@H]1C=CCCC1)NCCC	1948434017	BJNQQRKTQCKYGQ-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@@](C)(N)C1=CCCCCCC1	1948952375	YWMZXAXYTZAWMU-MRXNPFEDSA-N	237.431	4.955	0	10	BJAE	
CC1(C[C@H](N)C2(C)CCCCCC2)CCCC1	1948983305	QQQMCVQKCDFLKB-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@H]1CCC(C)(C)C1	1949515432	ANJJJWJFCVLTOW-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@H]1C[C@H]2C[C@H]2C1	1950173004	CCWGSSPSXNHHQD-QKDCVEJESA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)CCCC(C)(C)C)CC1	1950909817	AGBCJKPYLHOSIR-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1NC1CCC2(CCC2)CC1	1965942458	YGTCLMTTZINWHY-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CCC(NC2CC[C@@H]3C[C@H]3CC2)CC1	1967834265	JJOJDCFCMBGVAL-QBBMROGASA-N	249.442	4.514	0	10	BJAE	
CC(C)CC[C@H](C)NC1CC(C)(C)C(C)(C)C1	1968330146	XNTFTBAJGDADLV-ZDUSSCGKSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(NC2C[C@H]3CCCC[C@@H]3C2)ccc1F	1968592643	XIAVGJAYCNUUAX-CHWSQXEVSA-N	247.357	4.515	0	10	BJAE	
CC1(C)CCC(NC2C[C@@H]3CCCC[C@H]3C2)CC1	1969738366	QKFMQPLQTIUZIX-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CC[C@@]1(C)CCCN([C@@H]2CCC3(CCCC3)C2)C1	1969870776	TVKPOEFRVBTZSR-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CCCCC2)C1)C1(C)CCC1	1970849573	OZIDTDRGYUQSJZ-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](CN1CCCCC12CCCCC2)C1CCC1	1972911319	DWAWEGIWHGVTAI-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCC1(C)CC(N[C@@H](C2CCCC2)C2CCC2)C1	1973589061	FUPACDALCYXRAP-CGZBRXJRSA-N	249.442	4.514	0	10	BJAE	
CCCCCCC(=O)C1(C)CCCCCC1	1978450410	PFZRURSXMRFOHO-UHFFFAOYSA-N	224.388	4.886	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCCCCC[C@H]1N	1980350056	CROPFKUUBWFPGN-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CCC[C@H](CC)C1	1984590627	FACUNNZTPUAVNY-RDJPRVRMSA-N	222.372	4.518	0	10	BJAE	
CC=CCCCNc1ccccc1SCC	1984604601	ZVSUOZBCHOPEAV-UHFFFAOYSA-N	235.396	4.567	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C(C)(C)CC	1984635167	MVCFXIJZNSKVDT-VIIAAUOXSA-N	225.420	4.537	0	10	BJAE	
CC[C@@](N)(CCC(C)C)[C@H](C)CCC(C)C	1986938798	PQAJYAVKUVSMHH-HUUCEWRRSA-N	227.436	4.602	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1)C1(C)CCCC1	1987599640	SZNVQCVINRPTPN-NSHDSACASA-N	237.774	4.721	0	10	BJAE	
CC[C@H](CNc1ccc(F)cc1Cl)C(C)C	1988765070	QSBCYBOHWKYXOH-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CCCCCC(C)C	1989802253	ASNHQSMCPYFETD-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCCC(C)(C)C1=O	1991634367	PFQYTVSXLPIWSY-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CC[C@@H](C)C1)C1CCCCC1	1996234961	HTNMJKUMDYQZKL-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC([C@@](C)(O)CCCC2CC2)CC1	1996552175	KDYBVZBCMXTRQU-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H]1CCCC2(CCC2)C1	1997039589	MCDHXTNKYLVWCW-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(CC(=O)[C@@]2(C)CC=CCC2)CCCCC1	1997607778	WVKYSWZVTZNWDF-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CC(C)(C)C1CC(CCC(=O)C2CCCC2)C1	1998240198	UPDANANXELXFEQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCCC(C)C)CCC[C@H]1CC1(C)C	2000253797	MLFICRQNJKQLKO-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H](C)CCC(C)C	2000317327	WBYZFSSLSKAYIH-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)(CCCC1(C)CC1)CNC(C)C	2000507519	GJYVOTXXJXWSLT-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)CC1CCCC1	2000520572	MCQBDFNKMXMCSQ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@H]1CC12CCCCC2	2001264183	WJQORKJLPFPAIT-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCCCC(=O)C[C@]1(C)CCCCC1(F)F	2002590356	IISKMYBAMNGZCH-ZDUSSCGKSA-N	246.341	4.742	0	10	BJAE	
CCC1CCC([C@](C)(N)CCC2CCC2)CC1	2002923336	GDVINAJNDYMJQB-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@](C)(O)[C@H]1CCCC(C)(C)C1	2003004760	HOYFBLABTLWBSI-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)[C@@H]1CCC[C@H](C)C1	2003020428	OJNDVTCKLMKVEB-LJISPDSOSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCN(C)[C@@H](C)C1CCC(C)(C)CC1	2004160553	OIVSVZASYQBYLE-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)C1(C)CCCCCCC1	2004923720	UFTFOWZPUBYPEA-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@]1(CNC(C)(C)C)CCCCC12CC2	2005563316	JMPQMQGKZKDWFE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@@H](CC)C(C)C	2007941191	ZERKJRYEIYWQOT-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC1(CCNc2ccccc2SC2CC2)CC1	2009544377	OZMFZJPGBVKUCA-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
CCCN[C@H](CC1=CC[C@H](C)CC1)C(C)(C)C	2010626803	SHGDRRJHHJUFLT-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C1=CCC(C)(C)CC1	2010725080	GCLZOSCXCUKZMD-DZGCQCFKSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCCN[C@H]1CCCC[C@@H]1C(C)(C)C	2011437939	KSPLJLNHNPRNGW-WHJWBVKISA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)CCC1CCCCC1	2014882740	PVZSSYKYEOYTIX-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@]2(O)CC[C@@H](C)C[C@@H]2C)CCC1	2015640098	OFZHNKKOZVIFAO-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](N)CC2=CCCCC2)CCC1	2015642397	PXSPQWYGHDSKLY-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CCC1CCC(C[C@@H](O)[C@H](CC)C(C)C)CC1	2017648217	KUVGXGJJYIQDKA-QDIHITRGSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](CCCC(C)C)C[C@H]1CC[C@H](C)CC1	2017722084	NHXFNAJOBRIDBJ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@H](C)C(C)C)CC1	2017722639	HHMYGRYFLQUKGT-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H]1CC[C@H](C)N(CCCC(C)(C)C)C1	2019331008	VJCRLUYSHMOVDP-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)C[C@H]1CCCC(C)(C)C1	2019386121	QYESNGBHCYMILP-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H]1CCCN([C@@H](C)CCC(C)C)CC1	2019406085	BXFWGDALGSMRSK-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
Clc1ccc2ccn([C@H]3C=CCCCC3)c2c1	2019533091	QCDIGPANSUXOJJ-AWEZNQCLSA-N	245.753	4.966	0	10	BJAE	
CCCC1(C[C@H](O)CCCC(C)(F)F)CCC1	2023312336	UEJZDYSEGCUAQT-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)CCCC(C)(F)F)C1	2023314903	VCPFRVJCZSKFEC-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(C[C@H]2CCCC(C)(C)C2)C1	2024096498	VGCKNJREYFMFCU-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](O)CC1CC(C)(C)CC(C)(C)C1	2024120518	WPDWZIQNNYJEDV-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CC1(c2nc(CC3CC3)cs2)CCCCCC1	2026540475	OZWLDHVBFGKSQS-UHFFFAOYSA-N	249.423	4.708	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)CCC2(C)CC2)c1C	2027731977	JIJSGKNTIQGDIG-HNNXBMFYSA-N	245.410	4.500	0	10	BJAE	
CCN[C@H]1CCCC[C@H](CC2CCC=CCC2)C1	2028869690	KDQIFAVMANBFTE-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)C(C)(C)C(C)C)cc1	2032270827	DCKXNATYSBWEEE-CJNGLKHVSA-N	248.410	4.916	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1)C(C)(C)C(C)C	2032338127	CSYVKLAWZMOBAI-MRXNPFEDSA-N	247.426	4.636	0	10	BJAE	
CC1(C)CC[C@@H](CN[C@@H]2CCC23CCCCC3)C1	2033394913	QZIRGZQPQKHCPN-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC(C)(C)Nc1cc(C(C)(C)C)ccn1	2034908742	QVLQEEWLQNEUON-UHFFFAOYSA-N	248.414	4.616	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)C1=CCCCCCC1	2037076105	RPAQGKXKNUDDKV-USXIJHARSA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CCCC1CC1)c1ccc(C2CCC2)cc1	2037087201	KLACDPXHHDTCOA-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1C[C@H]1CCC[C@H]1C	2037221611	VIFBLBAXZWULCF-IXYNUQLISA-N	243.394	4.658	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CNC3(CCCC3)C2)CC1	2037729282	HUPJQCFFJZXOMV-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H](C)C1)c1ccccc1	2038138952	PLNKTXIWVHLGQS-YQQAZPJKSA-N	245.410	4.554	0	10	BJAE	
CCC1CCC(NC[C@H]2CC23CCCCC3)CC1	2039057545	GDLJYZXGWLIIIA-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@H]2CCC23CCC3)CC1	2039387022	VOGRWTKJQRTXGG-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)c2ccc(C3CC3)cc2)C1	2040149600	MNCPRDKFHICLTQ-QWHCGFSZSA-N	242.362	4.573	0	10	BJAE	
CC1CC(C=C(CNC(C)C)C2CCCCC2)C1	2043245485	PNRXKEIPRBCUIA-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)CC1(C)CC1	2045324712	YGKLOBYBRLHAJP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1C[C@H]1CC12CCCCC2	2047015397	IOTBYWMPHBIMJI-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2048381824	IMAJLNKPQOUKTM-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
CCC1([C@H](N)C[C@H]2[C@H]3CCCCC[C@H]32)CCCC1	2048441812	QTBXIANTRVCJLV-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049210841	FUBYFQUZUGEDKX-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCCN(C)[C@H](C)C1CCC(C)(C)CC1	2049476039	MQBAJGADUYJBPK-OAHLLOKOSA-N	249.442	4.655	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H]2CCNC23CCCCC3)C1	2049511457	MABDJFGXOSKGHY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049846371	SDHDEKOLFVBWRT-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@](N)(CC2CCC3(CC2)CC3)CC1	2049851576	AGASKBOFCXZCSO-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C1(C2CCC2)CC1	2051902894	QDSDDPACUWMFRA-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(CCC2(C)CC2)CCC12CCC2	2059170679	ACVOXOWVVDPTEO-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCCCC1CC(NC2C[C@H]3CCCC[C@@H]3C2)C1	2059392935	YOFYALPABJAJDT-LVDPKSTMSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C1=CC[C@H](C(C)C)CC1	2061122319	NQJKRDFDLYEUIU-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C(C[C@@H](N)c2cccc(C)c2)CC1	2061142282	BOHNGAVDWCVNRZ-WMLDXEAASA-N	243.394	4.521	0	10	BJAE	
CCN[C@@H](CCC1CC(=C2CCC2)C1)CC(C)C	2061739001	JCHORUZCXLBMFI-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc([C@H](O)C(C)(CC)CC)cc1CC	2061870722	NYDPNHHSJGNFTA-INIZCTEOSA-N	248.410	4.671	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(N)CCCCCC23CC3)C1	2062008153	BTDONCSWTBGOCS-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC[C@@](C)(CNC1CC1)CC12CCC(CC1)CC2	2065328612	RLAPFGJWVKNWKF-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](CC2CC(C)(F)C2)c2ccccc2N1	2065817807	RFSZHQITFYMZTM-OPXGVBIBSA-N	247.357	4.503	0	10	BJAE	
C[C@@H]1CN[C@H](C)C12CCC1(CCCCCC1)CC2	2065896901	HXJRXFBBLNOTTI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc([C@@](O)(CC)C[C@@H](C)C(C)C)cc1	2068817523	GOBOMDUWPURPEX-RHSMWYFYSA-N	248.410	4.529	0	10	BJAE	
CC(C)(C)NCC1(C[C@H]2CC23CCC3)CCCC1	2069171780	OUTGKVWBLLPBBC-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@](C)(O)c2ccc(C)cc2)CCC1	2069340228	SGZYJXVTGPCVKP-INIZCTEOSA-N	246.394	4.563	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@H]3C[C@@H]2C3)CC1	2072796731	RJUZDKCJRZVWRV-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C=C2CCNC3(CCCC3)C2)CCC1	2074136082	RDLZGDYEDSUEMR-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN(C)[C@H]2C=CCCCCC2)C1	2074811209	UFCIBMKAKOBSLD-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CC1CCC(N(C)[C@H]2CCCCC23CCC3)CC1	2075119499	ONJQTXJFFFAIMS-GPANFISMSA-N	249.442	4.610	0	10	BJAE	
CCC(CC)CCN(C)C[C@@H](C)c1ccccc1	2075138935	RHWFCWTYFJDSLJ-OAHLLOKOSA-N	247.426	4.548	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2C=CCCCC2)c1	2075369420	DHQVCFZKQRAUIF-INIZCTEOSA-N	243.394	4.722	0	10	BJAE	
CCCN[C@H]1[C@@H](CC2=CCCC2)CCCC1(C)C	2076407227	ODYVJEYJQBTNSZ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2C(=O)[C@H]3CC[C@H]2C3)CC1	2076515990	BOWLXTCBHDCUJA-QXKUPLGCSA-N	248.410	4.598	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1C[C@@H]1C[C@H]1C1CCCCCC1	2079662354	UWWPFEKGBFWXFR-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccc(OCC(F)=C2CCC2)cc1	2081597789	SYKTXJHJOAPOHP-UHFFFAOYSA-N	248.341	4.770	0	10	BJAE	
CCCCCCC(=O)c1cc(C(C)C)ccc1N	2081762795	DGSZSZAOHSWKLS-UHFFFAOYSA-N	247.382	4.545	0	10	BJAE	
C[C@H]([C@H]1CC[C@@H](N)CC1)[C@H]1CCC2(CCCC2)C1	2082132369	DIXMDABLHVETIZ-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)C2CCCCCC2)c1	2082931117	ZCGRIMIZNMCACX-QGZVFWFLSA-N	245.410	4.582	0	10	BJAE	
Cc1cc(C)c2cc(C3CC4(CCC4)C3)[nH]c2c1	2083316706	ZGACVNRGBVXVDH-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
C[C@@H]([C@@H](N)c1cccc(C(C)(C)C)c1)C(C)(C)C	2083540867	DMQPMRCUONOAHH-SWLSCSKDSA-N	247.426	4.666	0	10	BJAE	
CCCCC[C@H](CC)Oc1cccc(C(C)=O)c1	2086295952	QXHJUKJZDXSWPJ-HNNXBMFYSA-N	248.366	4.627	0	10	BJAE	
CCC(C)(C)CCC(=O)c1scc(C)c1C	2210567558	KTNDWFLRVINSHV-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CCN[C@@H](C)c1ccc([C@@H](C)CC)cc1Cl	2210788190	QMTYOYJPKVTGCX-QWRGUYRKSA-N	239.790	4.524	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CCCCC1CC1	2214560095	IPIYCIYYKAZKSP-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCC[C@H](C(C)(C)C)C1	2216259408	UCRNVIANYWSYIZ-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC1(C)C)C(C)(C)CCC	2216283651	UQUQBXHSNTYLMZ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CCCCC(F)F	2216505638	QGVQCDUQXVYFCG-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCC(=O)CCC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216748003	SBDICKXBOJEHIS-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CC1([C@@H](N)CCCCCCCC2CC2)CCC1	2216858416	CVHJCTDIGAZVOW-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC(C)(NCCCCCCCC1CC1)C1CC1	2216883113	HAYPJTQQJACSAP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@H]1NC1C[C@@H]2CCCCC[C@H]2C1	2218019375	XGUKGXDBLDFZAM-OFQRWUPVSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)[C@@H]1CC12CCC2	2218721842	VZXBOLXBJXUCJN-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CC[C@@H]2CCC[C@@H]21	2218724901	HRDMLWUZDUWYTN-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CC[C@@](O)(CCCCC1CC1)c1cccc(C)c1	2220026670	ANDTWEVDCZNODY-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
C[C@H]1CCC[C@H](Cn2ccc3cccc(F)c32)C1	2220311392	VQKSPHZUPWBSQS-STQMWFEESA-N	245.341	4.607	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(CN)CCCCC12CCC2	2220878882	OJMALYCFNNLTSC-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)CC1(C)CC2(CCC2)C1	2221015989	KRPFVRYAKXJAFJ-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC1(CC2(C)CC3(CCC3)C2)CCC1	2221040038	MJNPYUHXMQCJHC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)[C@H]2CC[C@H](C)CC2)CC2(CCC2)C1	2221087294	ARDIESBTLZTQOQ-HDJSIYSDSA-N	248.410	4.742	0	10	BJAE	
C[C@]1(C2CCC2)CCCN1CCC1CCCCC1	2223858487	YZUSHYJBOYMIAF-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1cccc2ccoc12	2224175511	CBZCLGDGDKYDRD-DOMZBBRYSA-N	246.350	4.683	0	10	BJAE	
CN[C@H](CCC(C)(C)C)c1cccc2ccoc12	2224179714	DHDGWTNFWJPHHX-CQSZACIVSA-N	245.366	4.520	0	10	BJAE	
CCC[C@H](CC)[C@H](CCCC(C)(C)C)NC	2244784973	WNXGKHMYDKOIHE-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H](CC)CCC	2244796568	MSTXXKSTDVARCC-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCC[C@@H](CC)CNc1cc(F)cc(Cl)c1	2244805530	YJRAUBRRPGJYFI-SNVBAGLBSA-N	243.753	4.717	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@H]1CCCCC12CC2	2246614942	PNQKVDZCAQGAOG-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1(O)CCC(C)(C)CC1	2247116688	AWFROWKNFIIJDB-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CC1CC(C)(C)C1	2247173389	RUVWSODLIFUEFB-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC[C@H]1CCC[C@@H](C)C1	2250361329	LQUSECMYQPHIRN-LVQVYYBASA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](O)C[C@]12CCCC[C@H]1CC2	2251175743	NXUZKAPFCWOSNA-HRCADAONSA-N	238.415	4.678	0	10	BJAE	
CCN(CC1CC(CC(C)(C)C)C1)C(C)(C)C	2251590188	VSBFDRQGPRBJJA-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCC[C@@]1(N)CC(C)(C)CCC1(C)C	2251665511	LJZFQZHHGFZYCI-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CC1(C[C@@H](N)C[C@@H]2CCCCC23CC3)CCCC1	2253807546	CVVUJRFIVVUEMM-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC1CC(C)([C@@H](N)CC[C@H]2CCCCC23CC3)C1	2253861561	FHURGPNIWAQIOX-FYRZTWFESA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2(CNC3CC3)CCC2)C1	2253929829	KXMVFHXGUBCASJ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@H](C)C1)[C@H]1CC=CCC1	2254018647	DZBBSKSUTAIGFO-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)CC2CC3(CCCC3)C2)C1	2254106792	JVRWJDALSYGUTB-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCCC[C@@H]1C[C@H]1C)c1ccco1	2254526654	BGUYWBWLPJDIBI-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCCC[C@H]2C[C@@H]2C)C1	2254538943	WKHAJTOANRSUMJ-TUUVXOQKSA-N	248.410	4.764	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C1(CC2CC2)CCC1	2254590590	XDAGLSXGYZBDEG-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC12CCC2)C1(C)CCCC1	2254820339	AWDVZEQQSCCUGE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	2255022681	FXZUMLMLMDEDLP-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@@H]1CCC1(C)C)CC2	2255029936	VOPXXAGFSNCRSG-GJZGRUSLSA-N	243.394	4.548	0	10	BJAE	
C1=C(CN2CCCC[C@H]2C2CCCC2)CCCC1	2255134559	VVMRPSNVMCGNHD-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
Cc1ccc(F)c(NCC[C@@H]2CCCC23CC3)c1	2255278074	KLPNOJQGEFFELJ-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CCCc1ccc(CC(=O)CC(C)(C)CC)cc1	2256229319	CKFZERZNGRHWCF-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC[C@H](O)c1ccccc1	2257251529	GYPSLOANSLMCKD-XIRDDKMYSA-N	246.394	4.717	0	10	BJAE	
Cc1cc(C(=O)CCCCC[C@H]2C[C@@H]2C)c(C)o1	2257284968	WPGYECUOSULEFV-FZMZJTMJSA-N	248.366	4.686	0	10	BJAE	
OC1(CC[C@H]2CCCCC23CC3)CCC=CCC1	2257918984	SHRVVTSGCWRKIB-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(NCCCC[C@@H]2C[C@H]2C)cc(C)c1C	2258233537	OXBMOJKUUDJVGW-GDBMZVCRSA-N	245.410	4.850	0	10	BJAE	
CC(C)(C(=O)C[C@]12CCC[C@H]1CC2)C1CCCC1	2260586543	HZJLANVTXNKDRU-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
CCC1CC(CC(=O)C[C@]23CCCC[C@@H]2CC3)C1	2260627419	UYDVQCGWNINLEK-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](N)(C[C@]12CCC[C@@H]1CC2)[C@H]1CC1(C)C	2260673078	QSOHPTKZAPMOHH-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC([C@@H](N)C=C2CCCCC2)C1	2261188668	GHYPHOGYNRQMBU-GPANFISMSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(C[C@@H]2C=CCCC2)C1	2261375113	KVAQHZAAXUCYIK-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1c(C)cccc1C	2300684274	SAKFCDSTFVCUTR-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CCC(F)(F)[C@@H](O)CC=C(C)CCCC(C)C	2300862886	IXCKGBLAIWGVRN-ZDUSSCGKSA-N	248.357	4.555	0	10	BJAE	
CC(=CC[C@H]1CCC[C@@H](O)C1)CCCC(C)C	2300864649	CZXUJHYSGNCDSU-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CCCC[C@H]1C	2300877966	WKNQUBISEGKURI-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1CC=C(C)CC	2300901513	JZJFBEGJVCWULH-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC[C@@]1(CC=C(C)CCCC(C)C)CCCN1	2300913469	GTGBQVTYRSBPPH-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1[C@@H](C(=O)CCC2=CCCCC2)CC1(C)C	2302136104	QIVLJQRMSPYVPV-JSGCOSHPSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H]2CCC(C)(C)C2)C1	2302763869	RHQNPPYDEWABEZ-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2CCC(C)(C)C2)C1	2302900146	BXXKUBQXARZEJH-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](O)(CC)CC[C@H]1CC[C@H]1C1CC1	2303077689	IJQWPCUVDJRJLY-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCC[C@H]1CCC(C)(C)C1	2304358320	BCYUNLAKRJICAW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](O)c1cc(C)ccc1C(C)C	2307517980	CEMCJNRMNCBXRO-MRXNPFEDSA-N	234.383	4.732	0	10	BJAE	
CCCCCCc1nc([C@@]23CCC[C@@H]2C3)cs1	2307702227	UZEOOJQJODMBMQ-IUODEOHRSA-N	249.423	4.708	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CC[C@@H]1C[C@H](CC)CCC	2307901372	HYAXAPGXFNSWDW-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCCCC[C@@H]1NC	2307903678	PHZPLHNMRACWDM-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](CCC)CC[C@@H]1O	2307906162	CKBWFKCCJYRRTQ-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC1CCC1)N(C)[C@H]1CCCC2(CCC2)C1	2313648478	PXJBMQWRBSSJPT-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
CC[C@@](N)(CC1CCCCCC1)c1occc1C	2316876772	YLAWPUYFKMCURM-MRXNPFEDSA-N	249.398	4.513	0	10	BJAE	
CN(CC1CCCCCC1)[C@H]1CCCC2(CC2)C1	2316882879	DHDNOTUHZQNIMN-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CCC[C@H](C)C1NCCCC1=CCCCC1	2318531749	OWELCJHOWIXYGT-GJZGRUSLSA-N	249.442	4.681	0	10	BJAE	
COc1ccc(F)c(CCCC2=CCCCC2)c1	2318570663	XRMXGSKMUAVUPK-UHFFFAOYSA-N	248.341	4.657	0	10	BJAE	
CC1CCC(CC(=O)C[C@@H]2CC[C@H]2C2CC2)CC1	2319501547	COBOEHKMOHIQOD-ITMHDFIRSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)C[C@@H](C)C[C@@H](C)C2)CC1	2320329770	VDWVRKFMQRPMJM-DLTLXFJOSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CN2CC[C@@H]2CC(C)(C)C)CC1	2320346445	FKARUMWKUHTGDB-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CCN[C@@H]1CC[C@](C)(C[C@H]2CCC(C)=C(C)C2)C1	2320388492	QNWNKAGSIRTPGG-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CNCCCC2CCCC2)CC1	2320411050	HVLMPYJBVNHYHH-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC(C)=C(C)CCN(C)C[C@H]1CCC(C)=C(C)C1	2320413677	OUUYBOQPYIDVQG-KRWDZBQOSA-N	249.442	4.801	0	10	BJAE	
C[C@@H]1CC=CC[C@]1(CN)CC[C@@H]1CCC(C)(C)C1	2321619012	ILEHJQZBYRLMGP-HLLBOEOZSA-N	249.442	4.524	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@H](C)C(C)(C)C)c1	2327785080	VYRWLJQTENTZCM-ZDUSSCGKSA-N	246.394	4.983	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2cc(C)ccc2C(C)C)N1	2327787013	QGMZVXBJWSBBMP-YOEHRIQHSA-N	245.410	4.712	0	10	BJAE	
Cc1cc(C)c2[nH]c(C3CCCCC3)cc2c1	1516907	LFZRJCNCKNORHT-UHFFFAOYSA-N	227.351	4.832	0	10	BJAE	
Cc1ccc(NC2[C@@H](C)CCC[C@H]2C)c(C)c1	20023263	DNUUDTWIXSEGOT-OCZCAGDBSA-N	231.383	4.540	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@@H]2C[C@@H]2C)c(C(C)C)c1	21516089	COWIBGGUJLBBGL-JCURWCKSSA-N	245.410	4.589	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1cc(Cl)ccc1F	35284141	OLJYXPXOTYMIBP-SNVBAGLBSA-N	243.753	4.716	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccccc1C(C)(C)C	36956416	MRTGXJQORGTSPM-QWHCGFSZSA-N	233.399	4.831	0	10	BJAE	
CCC[C@H](N[C@@H](CC)C(C)C)c1ccccc1	37300067	BMSYFJSFIOXZLO-HOTGVXAUSA-N	233.399	4.552	0	10	BJAE	
CCCC[C@H](CC)CO[C@@H](C)c1ccc(N)cc1	40909163	LMEXPEXDAKAJLE-KBPBESRZSA-N	249.398	4.563	0	10	BJAE	
Cc1cc(C(=O)C(C)C)sc1-c1ccccc1	42732189	LQLMXTYUEDYJEW-UHFFFAOYSA-N	244.359	4.562	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccccc1[C@@H](C)O	49542726	WDEXFOVAMGDOFK-UONOGXRCSA-N	249.398	4.511	0	10	BJAE	
CCN[C@H](CCC[C@H](C)CC)c1ccccc1	80424412	ZBSIZFDOZMXKPQ-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CCN[C@@H](c1ccc(C)o1)C1CCCCCCC1	86579465	FQBBLTNITVPCDO-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H]2CCC[C@H](C)C2)c1	89604362	GRGWGTNQDJJWBB-SWLSCSKDSA-N	231.383	4.542	0	10	BJAE	
CCCNC[C@H](CCC(C)C)c1cccc(C)c1	93127161	RYZVSFPCJONGLV-KRWDZBQOSA-N	247.426	4.514	0	10	BJAE	
CCC(CC)[C@]1(O)CCCC[C@H]1c1ccccc1	94676117	ZWYRWROKGCCKHZ-DLBZAZTESA-N	246.394	4.512	0	10	BJAE	
CCCc1ccc([C@H](N)C2(CC)CCCC2)cc1	94899656	XYHMSJYHPUIFPR-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H]1CCCC[C@@H]1C	103976623	USXIYSQLBKVCIH-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CNc1cc(C)ccc1C	104008518	FCIBLZIABBHTKV-OAHLLOKOSA-N	233.399	4.932	0	10	BJAE	
CCCCc1ccc([C@H](CC)CCC(C)=O)cc1	107478704	JEATZSGQZYQFTH-MRXNPFEDSA-N	246.394	4.892	0	10	BJAE	
CC/C=C\C[C@H](C)c1cccc(C)c1C	107480795	HJBHWFVIUWDZPA-FWWRYZNZSA-N	202.341	4.763	0	10	BJAE	
CC/C=C\C[C@H](CCC)c1ccccc1	107611052	CKJYVWUWPPHECC-VSKVDJIOSA-N	202.341	4.927	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1ccc(CC)cc1	109718613	AAALLJPRTIPWIV-DOTOQJQBSA-N	247.426	4.855	0	10	BJAE	
CCC1CCC(O)([C@H]2CCCC[C@H]2CC)CC1	111745436	URXRSAHNNLCJDG-FYRZTWFESA-N	238.415	4.534	0	10	BJAE	
CCCCCCC(=O)c1cccc(CCC)c1	127574563	HZYVYURSQFUOFS-UHFFFAOYSA-N	232.367	4.792	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](C)CC[C@@H]1CNCCC	155946285	SQDLDVSWLOFCIX-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCCC1CCC([C@@H](N)C[C@H](C)CC)CC1	162423974	XGYWWEULOBIOPQ-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccc2sccc2c1	163860017	YESNBODTKPHXHK-FZMZJTMJSA-N	245.391	4.892	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)c1ccccc1C	165812065	BDLKSHNICQITNU-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
C1=CCc2c(ccp2Cc2ccccc2)C=C1	196211911	SSCLEPDRIJSOPL-UHFFFAOYSA-N	238.270	4.847	0	10	BJAE	
C[C@H]([C@H](O)c1cccc2ccccc12)C(C)(C)C	204583260	GHBXXWDPXAIRIR-WBMJQRKESA-N	242.362	4.555	0	10	BJAE	
CCCCC[C@H](C)NCC[C@@H]1CCC[C@@H](C)C1	226861531	NMNWTGLIKOPYMR-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC[C@@H](O)c2ccccc2)C1	227236600	MTQNKHWMJNOAHL-HLLBOEOZSA-N	246.394	4.717	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CCC2CCCC2)C1	228769957	SJNXBIKPRZZYFC-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCC(=O)C1(CC(C)C)CCCC1	229450717	NBKGQWLYDINLJX-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C[C@@H](N[C@@H]1CCC12CCCCC2)c1ccsc1	230169910	PYOWUWLRDPGMFP-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
C[C@H](c1ccccc1C=O)C1CCCCCC1	258274377	CBXIGVIFVAHKRH-ZDUSSCGKSA-N	230.351	4.573	0	10	BJAE	
CCC(CC)c1ccc(C2(C#N)CC2)cc1Cl	260738614	WLVTYUZUVSEAIX-UHFFFAOYSA-N	247.769	4.799	0	10	BJAE	
Cc1cccc(O[C@@H]2CC[C@@H](C)[C@H](C)C2)c1C	300086811	IKKONQJYZMVCGU-UXIGCNINSA-N	232.367	4.507	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@H](C)[C@H]1C	300691178	QRXXHFLCTVDHDW-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CCNC[C@@H](CCC1CCCCC1)C(C)(C)C	302265805	PSTQYCPNHHGRIS-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H](C)CC1(CN)CCCCCCC1	302416746	TXYGUBONIJHPFG-OAHLLOKOSA-N	239.447	4.748	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H]([C@@H]2/C=C/CCCCC2)C1	304171526	HJJWHSNFKIJAOY-OUONAIIESA-N	234.383	4.518	0	10	BJAE	
Cc1cc(Cl)cc2scc(Cl)c12	307030527	PTLPSQSRCOUBMO-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@H](C)CC(C)C)C1	309985535	MOYHGAKOKHEBGW-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
CC(C)CNC[C@H](C[C@@H](C)CC(C)C)C(C)C	309991843	CSAVRNQXZMTGIK-HOTGVXAUSA-N	241.463	4.577	0	10	BJAE	
CCC1(C[C@@H](N)[C@@H]2CCCCC2(C)C)CCC1	310179553	WAUIANDVIUQKRF-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CNC(C)(C)C)[C@H](C)CC1(C)CCCC1	310531929	OGKYVLLXKNPXKM-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)c1cccc(C)c1C	310674786	MDJNCFNOFFDHSN-PBHICJAKSA-N	247.426	4.780	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CC1CCCCC1	310817227	HMUIXTLWLYYGRG-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCCC2)CCCC[C@@H]1C	317239624	AFBBUDQYMISNET-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](C)C1(CNC(C)C)CCC(C)CC1	317653984	SIRBLSJENIMBRP-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@]1(CNC(C)C)CCC[C@@H](C)C1	317670832	VVWBLZGMPKPQPE-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)c1csc2ccccc12	319750203	YXIMMLXXDADVHC-FIXISWKDSA-N	247.407	4.583	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)C1(CC(C)C)CCCC1	320110123	RDZVWZAPAMCATN-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@H]1CC(C)(C)CC[C@H]1N	383170876	KYOXCQUCAQEEMF-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)cc(C(=O)CCC2=CCCCC2)c1	385652797	FIFLJEWMWYCKAF-UHFFFAOYSA-N	242.362	4.767	0	10	BJAE	
CC(C)CCCCC[C@@H](CNC1CC1)C(C)C	394847902	DBTWGGBWRNUCBE-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
COc1cc(Cl)c(C(F)F)c2ccsc12	396296195	UTDJUCHISHESSE-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1ccc(F)c2sc(C(F)(F)F)cc12	396297893	MKJWQXRCYSNZDJ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CSc1cccc2c(C)c(C(F)F)sc12	396404828	KCJRKNGTCRJRPZ-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC(C)(C)C1CCC(/C=C\Br)CC1	606291521	QSZJCTCVVJXDQZ-HJWRWDBZSA-N	245.204	4.748	0	10	BJAE	
CC(C)C1([C@H](O)C[C@H](C)CC(C)(C)C)CCC1	686925324	AAHKYMHNEJDPKX-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CCCC1(CNc2cccc(SC)c2)CCC1	687532085	OQBQFCZPROZJQW-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CCCC1(CN[C@@H](C)CC2CCCCC2)CC1	689756901	UBGBYOCYRJSTOI-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)NC[C@@]1(CC2CC=CC2)CCCC[C@H]1C	692163140	BLOXDIWSCFKVTN-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)C2CCC3(CC2)CC3)C1	695627277	UYXSGSFYLYVMPS-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](NC2CCC3(CC2)CC3)CC(C)(C)C1	695687185	AQUNLWVJDPPSOO-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CNC2CCC(C3CCC3)CC2)CC1	696077977	WCDRBWHRTQXOLH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C[C@H](C)CC	696643396	DPTFKXNTPKPHLJ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCC(C)(C)CC)[C@H]1C	696699829	BKYUXUKJRUTXBZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(CCC(C)(C)CC)CCCCCN1	696803937	VDZCBUMXRRVIPI-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)=CCCNc1ccc(C(C)(C)C)cc1	697748798	YTTGLHQHCUQYES-UHFFFAOYSA-N	231.383	4.752	0	10	BJAE	
C1=C[C@@H](NC2CCCCCCCCCCC2)CC1	698241555	PNOBOQKZBGFVPQ-QGZVFWFLSA-N	249.442	4.968	0	10	BJAE	
CCCNC[C@@H](CC(C)(C)CC)c1ccccc1	701150024	VSUTVBFJUGVBGT-MRXNPFEDSA-N	247.426	4.596	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@@H]1CCCC[C@@H]1C	704861409	JRYNYJAATKGING-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](N)(CC)C2CCCC2)C1	704916451	XACLMINEIYGPMK-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H](O)[C@@H](C)CC(C)(C)C)CC(C)(C)C	709170765	XOOSHDFXWLFTCY-HZSPNIEDSA-N	242.447	4.882	0	10	BJAE	
C[C@@H](Nc1cccc(-c2ccccc2)c1)C1CC1	709728699	QCWQXWLBNBFACX-CYBMUJFWSA-N	237.346	4.564	0	10	BJAE	
Cc1cc(N[C@@H](C)c2ccccc2C)cs1	710711987	WIFRQYPQSNXHLA-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(N)CCCCCC1(C)C	713163858	DMPIXGIEVIBIBP-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CC(C)NC[C@@H](CC(C)(C)C(C)C)C(C)(C)C	713212143	MWFALMCSJBXQTB-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
C1CCC(NC[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1	714421765	BQBLWHOSWFIRNB-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
C/C=C/C[C@@H](C)c1cc(Cl)c(C)cc1OC	714561576	YCDQTJCYUYCDST-BRAIEQGRSA-N	238.758	4.727	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)(C)C[C@H]1N	717470345	NLIQHFJNQHYSRT-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCNCC1(CC(CC)CC)CCC=CCC1	718061698	OKTOAJNRFQNAAF-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)=CCCc1c(Cl)ccc(Cl)c1O	718620919	UJNLJRLGGZQAFC-UHFFFAOYSA-N	245.149	4.598	0	10	BJAE	
C[C@@H](C[C@@H](N)CCCC(C)(F)F)CC(C)(C)C	718720567	AJZGMNTUPZJUSH-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@@H](C1CCCC1)C1CC1	723995867	RLRJHOCZRAUBSG-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
Oc1cccc(-c2ccc(C3CC3)cc2)c1Cl	1242800397	HPNZOGJHBKYHSR-UHFFFAOYSA-N	244.721	4.590	0	10	BJAE	
CN(CC1=CCCC1)C1CC(C)(C)CC(C)(C)C1	1307916491	DTHPXQAFPSJIDG-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
C/C(=C\Cl)CSC1C[C@H](C)C[C@@H](C)C1	1473021822	PXMOLAMYBXOIHS-NLGIKVKISA-N	232.820	4.687	0	10	BJAE	
C/C(=C/Cl)CSCCC(C)(C)C1CC1	1641086640	CHEHYSYJINYOCG-NTMALXAHSA-N	232.820	4.689	0	10	BJAE	
CCC(CC)CCC[C@H](N)C1CCCCC1	1900713742	RKLTVXVSNZSFLP-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC=C(C)CC)C1	1900867049	RBVPBWLUUIEOER-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H](CC)CCC	1905432196	PNPOPXMCUDDGIO-ZFWWWQNUSA-N	227.436	4.747	0	10	BJAE	
CCCN[C@@H](CC[C@@H](CC)CCC)C(C)C	1905453755	MHHHJMDWKVOLKK-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC=CC[C@H](CC)c1cc(Cl)ccc1OC	1912116096	PTWMFEFKGLYBSY-NSHDSACASA-N	238.758	4.808	0	10	BJAE	
CN[C@H](CC1CCCCC1)C1CC2(CCCC2)C1	1912596926	MALYEHHKBPQDKC-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@](O)(CC)c1ccc(CC)cc1	1919610068	CLNQHVYLOFIWSE-KRWDZBQOSA-N	248.410	4.817	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@@H](C)C(C)(C)C	1919948615	OYICAEWJCHGREC-GUTXKFCHSA-N	228.420	4.636	0	10	BJAE	
O[C@H](CCC1=CCCCC1)[C@H]1CCCC12CCC2	1921606755	TXMWXVVUUJZKFV-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC(=O)[C@@H](C)C1CCCC1)CC(C)(C)C	1924115071	FLPKPUFGLKYWSV-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C=CCCCC1)C1CCCCC1	1925738733	XOGHFXRZMAUDOP-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CC[C@](CNC)(C[C@@H]2C=CCCCC2)C1	1925802542	LWFSBGSVXHEBCW-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
Clc1ccc(C[C@@H]2C=CCCCC2)cc1	1925821734	WMBAAELQMDJWAU-GFCCVEGCSA-N	220.743	4.629	0	10	BJAE	
Cc1csc(C)c1C[C@@H]1C=CCCCC1	1925877844	UWTXDRKKUJYGOS-CYBMUJFWSA-N	220.381	4.654	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCCC1)C1CCCCCC1	1925946171	QUMGKQPONGYZAM-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C(=O)c1cccc(Cl)c1)C(C)C	1936207309	SPKKAHKVIPZTFA-CYBMUJFWSA-N	238.758	4.595	0	10	BJAE	
CC1(C[C@H](O)C2(C)CCCCC2)CCCCC1	1940404504	ZCOWWSNXTRWKPY-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1ccccc1C(C)C	1940624014	BXRPZYXGHBSOIL-OLZOCXBDSA-N	232.367	4.675	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](C)c1ccc(N)cc1	1940964523	BQEDSDHIEBBBML-WOSRLPQWSA-N	231.383	4.589	0	10	BJAE	
CCC[C@H](C(=O)CCC[C@H]1CC1(C)C)C(C)C	1941261356	QXYDAIOUHYSVOO-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CCCCF)[C@@H](CCC)C(C)C	1941265501	VNPGKHUTVQFYFO-GJZGRUSLSA-N	245.426	4.567	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)[C@H]1CCCCC1(C)C	1942653632	SJDJRQQTJNKMJM-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)[C@@H](C)CCC(C)C	1942655949	LDYPLJNYTNKETB-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)CCC1CCCCC1	1942659678	JTNCOMNTAKSOMA-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCCN[C@@]12CCCC[C@H]1CCC2	1944194441	KXVQJGNFHPLKCW-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
Cc1sccc1C(=O)[C@]12CCCC[C@H]1CCC2	1944219446	CDJVAVLDUMVGHW-WFASDCNBSA-N	248.391	4.600	0	10	BJAE	
CCCC[C@]1(CNC(C)(C)C)CCCC1(C)C	1944475706	OJBWJHWHAYVAPE-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)CCC2CCCCC2)C1	1945582721	NVFBUWQZJYOXGS-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C(=O)c1cccc2sccc12)C(C)C	1945963976	YZLFSOHDTNHDOH-LLVKDONJSA-N	246.375	4.766	0	10	BJAE	
CC(C)CCC[C@]1(O)CCCCCCC1(F)F	1947289618	NKMVHHRQAPLMBR-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
Clc1cccc(N[C@@H]2CCCCC23CCC3)c1	1947880079	VFZAQHSHQYHZBR-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
CCC[C@@H](CC1CCC(C(C)(C)C)CC1)NC	1948863214	KZGAVVAPVKZDGC-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CC[C@@H](O)CC1CCCCC1	1949926074	IDURGJHXISMHLY-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC=CC[C@@H](C)c1cc(OCC)ccc1OCC	1951308806	NYIFCQXQLKFUAT-CYBMUJFWSA-N	248.366	4.554	0	10	BJAE	
CC(C)CC(C)(C)NCC[C@@H](C)c1ccccc1	1962900128	FJMFRKLUJDPYAE-OAHLLOKOSA-N	247.426	4.595	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1NC1CCC2(CCC2)CC1	1967791422	MPYRTIRKTJSLRI-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)N[C@H](C)C1CCC(C(C)C)CC1	1968318455	JDLFLXMCCJPARY-WLYUNCDWSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCC[C@@H](C)C2)cc1F	1968321295	YNSJVMXWFLUWIF-OCCSQVGLSA-N	249.373	4.762	0	10	BJAE	
CC(C)(C)CN[C@@H](c1ccccc1)C1CCCC1	1968634596	VJNSDYYIRXRZHH-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CC[C@H](NC[C@@H]1CCCCC1(C)C)c1ccco1	1970081080	BGEPEJKYTGBCLC-KBPBESRZSA-N	249.398	4.537	0	10	BJAE	
C[C@H]1CCC(C)(C)CN1C[C@H](C)CC(C)(C)C	1970779588	FANYRTFOQUJUIJ-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CCCC(C)(C)CNC1CC(C)(C)C(C)(C)C1	1973163637	HPHXWQBEMPJLBR-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)c1ccc(C)c(C)c1	1973316030	PKHXXUMBJNKHCH-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CCCC[C@@](CC)(CN)CCCC1(C)CC1	1978629066	WKROJBHMZFYBDK-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CCCCCC[C@H](O)C1(C(C)(C)C)CCC1	1989457455	UBNCKJHRUDULMX-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1cc(C)cs1	1995258744	HHUDEHYRKHOVPD-DGCLKSJQSA-N	240.412	4.696	0	10	BJAE	
CC[C@H]1CCCCN(C[C@@H](C)CC(C)(C)C)C1	1995745166	VNEYCOYCYILIAQ-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCCC(C)(C)[C@H](CC[C@H]1CC1(C)C)NCC	1996602013	BINYWCAWEDOITR-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H](C)CC(C)C)CC1	1997116104	JDRKGGCILLAVJC-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)CCN[C@]1(C)CCCCC1(C)C	1997421609	IIYBKTOOUDHPGB-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
Cc1csc(C(=O)C[C@H]2CCC=CCCC2)c1	1999983809	QCSWPLCFXROXBI-ZDUSSCGKSA-N	248.391	4.766	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CC2(C)CCC2)CC1	2001136087	CCIROYARZMEQAI-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1[C@H]2CCCC[C@H]21	2002193577	VAZMQROTQWVACN-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)[C@H](C)NC1CCCCCCCC1	2003093470	UBPWHSNSLRZYLG-AWEZNQCLSA-N	239.447	4.904	0	10	BJAE	
CC1(C)CCC(C[C@](C)(N)C2(C)CCC2)CC1	2004816899	RHYQGNHQLKFAIN-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC[C@]1(CNC(C)(C)C)CCCCC12CCC2	2005560898	HKAWGNUNDWPONO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCC1CC2(CCC(N)CC2)C1	2007730662	HPNRJVVKASMGPQ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)[C@H](C)CCC	2007748819	HCIODYBYGWMCAV-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@H](O)CC2CCCCCC2)C1	2007752237	QUPKPFCUWFFBER-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](C=C1CCCCC1)C[C@@H](C)C(C)(C)C	2007938295	WMJVXPUCPFQZKM-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)C[C@H](C)C(C)(C)C	2007941120	YPEDRWNYQIDDIQ-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCc1cc(C(F)(F)F)ccc1C	2009591995	JJASTGSAEALLDS-ONEGZZNKSA-N	242.284	4.913	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H]1CCC[C@@H](CC)C1	2009633701	BHNQITJVWRTNNW-CLTGJZPWSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H]1NCC[C@H]1CCC1CCCCC1	2009770349	ODPRBGOAWYKOSB-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)NCCCCC1CCC2(CC1)CC2	2011652703	QTMOUTCZUXSPSC-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1c([C@@H](N)CCC(C)C)sc2ccccc12	2014289686	DRRFOTJKLDPHCA-ZDUSSCGKSA-N	247.407	4.646	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC1CC(CC(C)(C)C)C1	2014657680	NJAAIVJVCOHTDM-HESLUPGFSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1C[C@@H]2CC[C@@H]2C1	2015206273	MQHJJKMZRPCFET-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CN(C)CCC(C)=C(C)C)CCC1	2015635675	YHSPSPZYHQXYGE-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CCCC1(C[C@@H](N)CC2CCCCC2)CCC1	2015639997	MZZSSRFKFSFXBI-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@@](N)(CC)C2CCCC2)CCC1	2015643665	FHZMZCGCASURTA-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1CCC[C@@H](C)C1	2016115594	SYVOMMJLYPMNSA-PMPSAXMXSA-N	237.431	4.667	0	10	BJAE	
CCCCC1CCC(N)(C[C@]2(C)C[C@@H]2C)CC1	2016465731	GBEVLGYFBMXYFI-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](CC1(C(C)C)CCC1)NC	2017146878	XEGKJQUMJJRPNZ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](NC)C(C)=C(C)C)CC1	2017475919	SDWCRIPRPSZHCN-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(CCCCNC(C)C)CC1	2017733201	IEJDZDAVHGMXME-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(C[C@@H](C)CCNCC)CC1	2017738424	ORDSOVPLCGHPIV-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)CC2(CC)CC2)CC1	2018965123	OFTNKCYWIZFPNA-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCC1(CC2(N)CCCCCCCCC2)CC1	2019002761	JSSRBEKSBSPQTL-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CCN(C1CCCCCC1)[C@@H]1CCCC[C@@H]1C	2020500167	BOHBWCFWLCYXMZ-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccccc1C1CC1	2021026211	NJTDMTRQGYHRSZ-DOMZBBRYSA-N	229.367	4.555	0	10	BJAE	
C[C@H](CC1CC1)Nc1ccccc1C1CCC1	2021026747	CZXCZPNWAZARKX-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCC[C@]2(C)O)C1	2024115858	GCYDSKOIZYASCC-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CCCCCC2CC2)C1	2024122626	FWKRIFNIBSRSBX-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CC[C@@H](F)C1	2026079765	ONCGGRKVNJXURS-BFHYXJOUSA-N	242.378	4.690	0	10	BJAE	
CC(C)(C(=O)c1ccc(C2CCC2)cc1)C1CC1	2028108339	USAXRJKNGPKQTJ-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)[C@@H](CC(C)C)C(C)C)c1	2028256236	XKEUITOFXJGKBV-DLBZAZTESA-N	247.426	4.622	0	10	BJAE	
CCc1ccc([C@@H](O)CCCCCC2CC2)cc1	2028619087	NNBSLVMKAAIIGF-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CCCc1ccc(C(=O)C2(C)CC(C)(C)C2)cc1	2029112806	WLOMIGWQBAVJQV-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
C[C@H](NC1CC(C2CCC2)C1)C1CCCCCC1	2029290151	XXCSCJZIRUMHQP-IGEOTXOUSA-N	249.442	4.514	0	10	BJAE	
CNC[C@]1([C@H]2C=CCCCCC2)CCCC1(C)C	2032111307	GZKIEDIFWKZFGX-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C2(N)CCC3(CCC3)CC2)C1	2032253577	WBEAVRIZINSQAY-FICVDOATSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C1=CCCCC1)C(C)(C)C1CCCCC1	2032342270	SPNRPKRBNUTFFB-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CCC[C@H]2C)c(C)c1	2032479077	BMRRUOBDHNIKHH-DOMZBBRYSA-N	244.378	4.621	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)C1	2032776135	MFGDMTMNMKDTKU-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)C(C)(C)C1CC1	2035598906	LDRTUSRJXIWKMJ-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(C2=CCCCCCC2)C1	2037074282	JAEIKRBDYQKHAZ-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C1CCCCCC1	2037101865	LMPFJWGUCDLKRR-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)NCCC=C[C@H]1CCC2(CCCC2)C1	2037695706	UHVWXIFVSMNMQU-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC[C@H]1CC=CCC1)CC1CCCC1	2038107792	LWGXAUYGEGPHTG-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C1(CC)CCC1	2039725513	YQOGTRYZJMCJMU-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@](C)(N)C23CCC(CC2)C3)C1	2039871693	GMQRDRUKBOLWHI-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2cccc(C)c2)CC1	2041384879	XQVPGWUJYSVOAU-LSDHHAIUSA-N	244.378	4.784	0	10	BJAE	
CCN[C@H](CC1CCC(C)(C)CC1)C1CC=CC1	2042018442	FMPKVLIFEBRMJR-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@@]1(C)CC=CCC1	2042020603	YUMBMVZBEAJYFC-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)NC[C@@]1(CCCC2(C)CC2)CC=CCC1	2042092756	ZGZARKKWUTZWAZ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC[C@H]1CCCC[C@H]1C	2043187419	LMSYUVDOQZPWQX-BFYDXBDKSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H]1CC[C@@H]1NCC(C)(C)C1=CCCC1	2043671217	YQRAMJJNUUXDLH-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC=CCCC1)C1CC(C)(C)C1	2045316580	FOLZBUNCUJSUPF-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@H](O)C[C@H]2CCC=CCCC2)c1	2045335211	PTHNWCYBBPTSAR-DOTOQJQBSA-N	244.378	4.555	0	10	BJAE	
Cc1ccc([C@H](N)[C@@H]2CCCC(C)(C)C2)c(C)c1	2045505277	MXNKSNXTKZMACE-GDBMZVCRSA-N	245.410	4.520	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C[C@@H](C)c1ccccc1	2045559620	AYPSWJQXBAZWTI-HUUCEWRRSA-N	246.394	4.822	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)C[C@H]1CC12CCCCC2	2047006849	DTSARPMDNHFSOM-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NCC1(C[C@H]2CC23CCCCC3)CC1	2047012298	NNDVQJUIPXFRLT-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	2047349732	OHMDXJBSFSNTSO-DPAVQSFQSA-N	244.378	4.768	0	10	BJAE	
CC[C@H](C)c1ccc(NCC2(C)CC=CC2)cc1	2047727402	XARKANQOCPCHCZ-AWEZNQCLSA-N	243.394	4.968	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@H]1CC[C@H](C)CC1	2049636619	MFBFFUSGXXUIMO-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@H]1CCC2(CC2)C1	2049857105	SBUHZZHGCOCIRI-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1CC(CC2CC2)C1	2050214556	ZXAUMEFVUSKQRH-OFLPRAFFSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)C1(C2CCC2)CC1	2051910898	JSQWDHGITWDJHN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H]2CC[C@@H]21)C1CCCCCC1	2052286968	RLPLQGLHYIBUPT-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(CC2CCC(C)(C)CC2)C1	2054986766	HPMYWVRWQSTHAW-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2ccc(CF)cc2)CC1	2055676517	BSJTZONUWGGNKT-CQSZACIVSA-N	249.373	4.927	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1CCCC=C1C	2055678262	NWVYIIJRNMKMFM-DLBZAZTESA-N	249.442	4.824	0	10	BJAE	
CC1([C@H](N)CCCC2CCC2)CCC2(CC2)CC1	2056558310	DSKFNNXBKXJQIB-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CCC[C@@H]3C[C@@H]23)CCCCC1	2057360584	JOZUAXAZGQKMMW-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)c1cc(C)oc1C	2059255744	JQGWQSFUPASCMO-YERXGYGTSA-N	249.398	4.684	0	10	BJAE	
CC=CCCC[C@@H](N)c1cccc(C(C)(C)C)c1	2059256694	RKOFLCRMCBIUPK-MRXNPFEDSA-N	245.410	4.730	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@H]2CCCC[C@H]2C)CC1	2061080767	JUNMULBJWBETJZ-JHNDHUHGSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](CC)CC1)C1CCCCC1	2061097572	CQKRRGPPMSLDQR-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C1=CCC(C)(C)CC1	2061140240	LXCLZQPZOBOEJP-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@@]1(CNCC(C)C)CCCC1(C)C	2061558074	RFNHSBZBYLDNFA-KRWDZBQOSA-N	249.442	4.550	0	10	BJAE	
C[C@H](N[C@@H]1CCCCCC12CC2)C1CC(C)(C)C1	2062017617	AHCIRRWMPAHEED-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1[C@H]1CCC[C@@H](C(C)C)N1	2066378148	MYDFTPSLTOVZNX-DLBZAZTESA-N	245.410	4.649	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCC1	2068777124	FGJXYNOSSKKVKY-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN2CC=CCC23CCCC3)CCC1	2069285575	UAPOHYQPMVODAX-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@]23CCC[C@H]2C3)CCC1	2069336568	BAQNZFLNEVHNSC-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1C[C@H]2CCCC[C@@H]21	2070399989	UHVGYJUOHRABTI-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)C1CC2(CCC2)C1	2070408509	PHQRSGOVFYEOFU-LSDHHAIUSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@]23CCC[C@H]2C3)CC1	2070969239	ZFLVMQWTLUSPTH-USXIJHARSA-N	249.442	4.502	0	10	BJAE	
CC(C)C1(CN2CCCCC23CCCC3)CCC1	2071916289	XUBSBLBLSMDGFI-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@H]1CC2CC1C2	2072048078	JKHDMRJRWLVPDM-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNC(C)C)C[C@H]2CC[C@H]1C2	2072407531	JUMXRUGGEYSIDS-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC(C1CC1)C1CC1)C(C)=C(C)C	2072425019	NRFRSFSYLTXLBZ-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C2[C@H]3CCCC[C@H]23)CC1	2072875715	QZRXYOAZFJHRLQ-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@@H]1CCCCC12CC2	2074885872	PJQLLXKEQALZDB-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CCCC1CCC(CN(C)CC2=CCCC2)CC1	2075191392	PAQPGZUAJNGMCU-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CC23CCCCC3)[C@H]1N	2076394936	GAKSMUIDQXDKCX-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCCN(C[C@]12CCCC[C@@H]1C2)C1CCCCC1	2076591724	RFBNIZPVXPQYOY-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CC[C@H]3C[C@@H]2C3)c1	2077262543	AZEBKWPWHSDDKF-IVMMDQJWSA-N	241.378	4.555	0	10	BJAE	
C[C@H]1CCCCC[C@H]1Nc1ccccc1C1CC1	2077264768	ZROPSRZSDDVMJR-XJKSGUPXSA-N	243.394	4.945	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@@H]1C[C@H]1CC	2079264759	JJFPYMNNKVCTIO-CJNGLKHVSA-N	245.410	4.578	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@@H]1C[C@@H]1CCC	2079441526	GAQYHTGIEHXQNM-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(N)(C[C@H]2C[C@@H]2C2CCCCCC2)C1	2079669823	JDMHDLMNIHYZHJ-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@@H]1C1CCCCC1)C1CC1	2079841952	LRNRTVDPMYSXBF-DZGCQCFKSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NC)c1cc(C)cc(C)c1C	2082917837	CZRYVZQZMLIENP-LXXRFIIISA-N	245.410	4.619	0	10	BJAE	
CN[C@H](C[C@@H]1CCCC(C)(C)C1)[C@H]1C=CCCC1	2082983489	SOOGZQJEVHSZHG-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(CCNC2CC3(CCCCC3)C2)C1	2084918633	UNCSIPVXNFOLIO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1csc([C@@H](N)CCCC(C)(C)C)c1C	2210570488	UEWFLIMZHGUBCC-LBPRGKRZSA-N	239.428	4.581	0	10	BJAE	
CC[C@H](O)[C@@H](C)CCCCCCCC1CC1	2212449759	DJZWFAZSKUFWTA-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
Clc1cc2ccccc2c(SC2CCC2)n1	2212517452	BKDUKFMJKIWFCU-UHFFFAOYSA-N	249.766	4.533	0	10	BJAE	
CC1(C)CC(C)(CC2(O)CCCCCCC2)C1	2215385649	OAULNEBSYJXZJW-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC1CC([C@H](N)CCCCCCCC2CC2)C1	2216879590	KTWLTCDPZVVZKG-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1c1nc(Cl)cc2ccccc12	2217019887	BZJYTQPROLCTDZ-OLZOCXBDSA-N	245.753	4.648	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CCC)CNC1CCC1	2217136421	IMZRWOQDSAEROP-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@@H](CCC(C)(C)C)C(C)(C)C	2217140541	YMIDPFBHLAAMMP-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@@H](C)C[C@@H](C)C1CCCCC1	2217144371	FHRWMAISJCNWMD-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C1C[C@H]2CCC[C@H](C1)C2	2218334903	OIRMNDKEAPFOKE-HOSILWTGSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1[C@@H](CCCCCCC2CC2)C[C@H]2CC[C@H]1N2	2218722023	XOKADFZUMIVPQN-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@@H]1C[C@H]2C[C@H]2C1	2218728282	VJBJPKNRTWBMTL-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@](O)(CC)C/C=C/c1ccccc1	2219073229	YIMNJSHDAAUVKU-RTGRKSDTSA-N	246.394	4.811	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@@]1(N)CCCC2(CCCCC2)C1	2220853701	SGTLPHPBGKKKCP-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC=CCCCNC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222924219	YXODATHREYRNQN-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
C[C@]1(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC[C@@H](N)C1	2222948106	FWEVPBVOFWBETJ-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)c1ccc(C2CCC2)cc1	2223699278	WHNCXFUIGSSETG-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
Fc1ccc(CCCC2=CCCCC2)cc1	2245897454	FWBRSTREUKSGKT-UHFFFAOYSA-N	218.315	4.649	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C2CC(C)(C)C2)C1	2246662926	JBNIZIXNFSJZCW-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC[C@H](O)C2CCCC2)C1	2246670730	WJQVYUQIMJLFEG-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CN(CC)CCCC[C@H]1C[C@@H]1C	2247159249	LYLROAVTSRTYFV-HOCLYGCPSA-N	239.447	4.571	0	10	BJAE	
CC(C)C1(C(=O)CCCC[C@H]2C[C@@H]2C)CCC1	2247159459	NIFZASGGVFOQTH-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H]1CCCC12CC2	2247623908	VXMRKNNVRYITNS-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCc1ccsc1CNc1ccc(C)cc1C	2248004440	REVXUJAPXHZHQU-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCNCC(C)(C)CCCCCC[C@@H]1C[C@H]1C	2248795065	DEYCGPNMPKEDFL-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(NCCCCC(C)C)cc(C)c1C	2249485764	GBHSPGQDCRYZGC-UHFFFAOYSA-N	233.399	4.850	0	10	BJAE	
CCC1(C[C@H](N)C[C@H]2CCCCC23CC3)CCC1	2253834412	ZEHWAJYEHLOBOD-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC[C@@]2(C)C=CCCC2)C1	2253956034	BXMUGUPFAJUVFV-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC1(C)C)[C@]1(C)C=CCC1	2255017252	WKQKSXAGAVBRST-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@]1(CC2=CCCCC2)CC=CCC1	2255093457	ZEOGXJRFTMEFFU-KRWDZBQOSA-N	247.426	4.603	0	10	BJAE	
CC1(C)CC[C@](C)(NCC[C@@H]2CCCC23CC3)C1	2255281001	LHILLXSBIAJQLJ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@@H](N)CCCCC[C@@H]2C[C@H]2C)c1	2257294629	XDTVBVYDGBYDLR-INMHGKMJSA-N	245.410	4.601	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNc1cccc(C(C)(C)C)c1	2257906470	WAZGQXAKXGSQBO-ZIAGYGMSSA-N	245.410	4.832	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1cc(C2CC2)ccc1F	2259108796	UHZZVEVCKRMQJT-RISCZKNCSA-N	247.357	4.551	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@]12CCC[C@@H]1CC2	2260505322	HBSQQOXUGFVTRY-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@]23CCC[C@@H]2CC3)CC1	2260619210	IZPMKSBGJMUZKD-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
N[C@H](C[C@@]12CCCC[C@@H]1CC2)C1CCCCCC1	2260623872	QYKGHMQGKWXEDT-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CCC1(C[C@@H]2CCNc3ccc(F)cc32)CCC1	2261337536	GQTSNJBRHDDTFF-LBPRGKRZSA-N	247.357	4.695	0	10	BJAE	
C[C@H](N[C@@H]1CC(C)(C)CCC1(C)C)c1ccoc1	2261402800	OPWUYAZFLQICQG-GXTWGEPZSA-N	249.398	4.535	0	10	BJAE	
CCCC[C@@H](C)C(=O)C(CC1CC1)CC1CC1	2298888812	NGSFREUARCPYBK-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@H](O)c1ccc(C)cc1C	2300678546	LJSNWFZNQFTEDR-INIZCTEOSA-N	234.383	4.553	0	10	BJAE	
CCC(CC)CCC(=O)CC1CC2(CCC2)C1	2300697582	QKIGUDKDRFCOBT-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@H]1CC1(C)C	2300881702	QQUZYGOTGQZEEO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@H]1CCCCCCCC[C@H]1N	2300900175	VNXPYJACAJENFE-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CC1(C)C[C@H](CC2CCCCCC2)C[C@@H](N)C1	2301143076	PTVOTHGQOJRYPY-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(N(C)[C@@H](C)[C@@H](C)C(C)C)CC1	2301701414	OXJVQSIKWVFQOE-FXQLRMTLSA-N	239.447	4.568	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)CCC1=CCCCC1	2301922920	FJKVIJPDNKXPEI-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](O)CCCCCC1CC1	2302607789	CDIYSPKVYMISFH-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C[C@H]1CCC[C@@H](C)C1	2302613377	PYBDKDVEBXHFAG-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@@H]1CCC(C)(C)C1	2302883010	QIKDOWPNYSKNMN-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC[C@@H]1CC[C@H]1C(C)(C)C)NCC	2303476190	FBHPESQAUVUCRV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)CCC2CCC2)C1	2304416357	SFTGNDCVXGMILA-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)CC[C@@H]1CCC(C)(C)C1	2304425473	MDTCJSPKVPHJCC-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](C)(CC[C@@H]1CCC(C)(C)C1)CNC	2304428312	LPZPJWAWSZTPHG-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2nc([C@@H]3C[C@@H]3C)cs2)C1	2307687644	KHODJYKZLHQOKW-QNWHQSFQSA-N	249.423	4.950	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC)CCC[C@@H](C)C1	2307763597	NNNQGRDJZAUGSG-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCCC[C@@H]1CC	2307832669	VLWXHJMRHCDWCB-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CC[C@@]23CCC[C@@H]2C3)C1	2310375185	QWUYWRGUQGMCGS-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2311164652	ONSQSRQSSWICBN-ANQUJSFKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@@]23CCCC[C@@H]2CC3)[C@H](C)C1	2313346330	JUUGGJVLJFNAQC-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCC1(CNC2CCC2)CC=CC1	2316238331	CRSCZPGFUQFXCN-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@@H](NC)C12CCC(CC1)C2(C)C	2316509806	QVLHSZMYFMICPJ-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@](N)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316874057	POXKHURBVMQHNB-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C)c1ccc(C)c(C2CCC(C)CC2)c1	2317101096	GTFIYIDZCGEUPC-HNFVBEJKSA-N	245.410	4.569	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@@H]1C=CCCC1	2317907957	UUOLBVVNXDLTNB-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
O[C@H](CCC1=CCCCC1)CC[C@]12CCC[C@@H]1C2	2317969743	OZEYORVWHMWBRU-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1[C@H](Nc2ccc(C3(C)CC3)cc2)CC1(C)C	2318197713	PBPJGTCNEMJZLL-IUODEOHRSA-N	243.394	4.585	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@]12CCC[C@H]1CC2	2318586428	JRLIHAJZSUTYSI-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@H](C[C@](C)(N)C23CCC(CC2)C3)C1	2319311374	JUMBVRILXSDVPN-BYLPVYNFSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCC1)CC[C@H]1CC[C@H]1C1CC1	2319726822	MMLMWWLLVTYDBN-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H]2CC[C@H]2C(C)(C)C)c1	2320141550	MIXVRCSDFBPQLU-UKRRQHHQSA-N	244.378	4.558	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@]23CCC[C@@H]2CC3)CC1	2320407091	XAIILVIGGPLTBR-ZMSDIMECSA-N	246.394	4.662	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H]2CCC(C)(C)C2)CC1	2320419061	GMNCIDQHQLOXCD-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@@H]2CCC[C@H]2C)c1	2320518557	QTQNPDOHEUHFTD-KMFMINBZSA-N	246.394	4.670	0	10	BJAE	
CC[C@@](N)(C1CCCCC1)[C@@H](CC1CC1)C1CC1	2320776282	OAIDTRVYUYSAIC-DLBZAZTESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@](C)(N)C2CC3(CC3)C2)C1	2321631197	NVEWDNQHTREVPT-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CCCCSc1ccc(C(C)(C)C)cc1	6853790	DRENOFZVHCUZFF-UHFFFAOYSA-N	222.397	4.876	0	10	BJAE	
C[C@@H](Nc1ccccc1Cl)c1cccc(F)c1	20000283	AYHNMDQZUDAFSV-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CCC[C@H](C)N[C@@H]1CCC(C)(C)c2ccccc21	20525550	OYLJAHGFJJBOHW-XJKSGUPXSA-N	245.410	4.577	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)c1ccc(C)s1	35458848	XPYGKZPHWOKAFL-OCCSQVGLSA-N	239.428	4.533	0	10	BJAE	
CCCCC[C@@H](NC)c1ccc(C(C)(C)C)cc1	35493490	LAIKYEDESCKYHE-MRXNPFEDSA-N	247.426	4.825	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCCC)c1ccccc1	35575732	WVSBLCVLGAKUSA-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CCCC(CCC)NC(C)(C)CC(C)(C)C	37100773	CAAAITNHVBHTFT-UHFFFAOYSA-N	227.436	4.760	0	10	BJAE	
CCc1ccc(CC)c([C@H](NC)C(CC)CC)c1	70440683	BULQCDDYRIFQBU-QGZVFWFLSA-N	247.426	4.508	0	10	BJAE	
CCCCC[C@H](N)c1ccc(C)c2ccccc12	79904500	QGGXJGDPNNHMSA-KRWDZBQOSA-N	241.378	4.728	0	10	BJAE	
CCCCCC[C@@H]1CCCCC[C@H]1NCC	82434090	NWBAOOJVONLHFT-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@H](C)[C@H](C)C1	84986919	DXBYBNSVDXBBBD-JGGQBBKZSA-N	245.410	4.794	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1sccc1Cl	87623136	DKHQUZDEBXLQJB-ONGXEEELSA-N	246.803	4.651	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)c2ccccc2C)c1	91509687	JNFVJYQVAPGGAD-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCc1ccc(-c2cccc(C(C)=O)c2)cc1	104037342	REEYBBGURPGWPW-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
CCC[C@@](C)(CNCC(C)C)CC1CCCC1	110203783	RPDMCUXSKOJYBP-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](NCC)c1ccc(C2CCC2)cc1	133280873	OVIZSZVTCLIVIK-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)c2ccc(C)cc2)C1	159897610	VDYLYNNSWAINKB-INMHGKMJSA-N	245.410	4.614	0	10	BJAE	
CC(C)CCCNc1ccccc1C(C)C	165175937	PNDYUFQUWXSHGI-UHFFFAOYSA-N	219.372	4.658	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@@H](C)CC	167830179	LHNJZBGNJRTEIT-STQMWFEESA-N	212.377	4.598	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCCC[C@@H]1C(C)C	212824620	IXUHVMZHPQHAKK-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CC[C@@H](C)[C@@H](C)C2)c1	220573187	VQQRKFQFTMHNCG-SNPRPXQTSA-N	231.383	4.540	0	10	BJAE	
CC[C@H](C)c1ccc([C@@]2(C)CCS2)cc1	221509088	KRQXGGPIPOZOKJ-SMDDNHRTSA-N	220.381	4.552	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H]2CCCC2(C)C)cc1	226524859	PLRCXTNBBVKAFQ-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CCCC(CCC)[C@@H](O)C1=CCCCCCC1	232906845	SGVXHDKVFRFNPN-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](NC(C)C)C1=CCCCCCC1	233003680	LGYQWPRQARWURP-INIZCTEOSA-N	237.431	4.824	0	10	BJAE	
Cc1ccccc1[C@H](C)NCC1(C)CCCCC1	235526637	AGAWIIKKTDFWPM-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
O[C@H](CC1CCCCC1)C1=CCCCCCC1	236528115	HPTYRIKLNMPFOF-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
N[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCCCC1	250838899	LLFPQGGXRLORPU-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@H](C)C(C)(C)C)cc1	302417397	JKCGERNNVFTKEY-WFASDCNBSA-N	234.383	4.526	0	10	BJAE	
CSc1csc2cc(C)c(Cl)cc12	306732693	MMVYQCYHWDUBIA-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Cc1c(C(F)F)sc2ccc(Cl)cc12	307128913	POZWFZRAUDCALC-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
Cc1sc2c(Cl)cccc2c1C(F)F	307657552	RRNPZVRNWMQOCY-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)[C@H]1CCC[C@@H](CC)C1	308031161	OPHFHIZJMFWDRE-FXUDXRNXSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCC1CCCC1	308058350	UDRNDABJFITUMJ-OAHLLOKOSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@@H](CC1(C)CCC1)NCC	309753778	LBKHVSJVDBUJHY-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1)[C@H](C)CC(C)C	310770045	SXNOLZQMUYWTOS-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)C(C(C)C)C(C)C	310896098	AQXVYBYOQFACSY-QGZVFWFLSA-N	247.426	4.574	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(C3CC3)CCCCCN2)C1	310985136	KIFLCDPUDBGZBC-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C/C=C\C[C@]1(CNCCC)CCC[C@@H](CC)C1	317563384	AIYALHXJJRZPCQ-HTEAGGNKSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](N[C@H]1CCC[C@H](CC)CC1)C1CC1	324519704	KEZNWWBBOLODTO-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCNCC(CC)(CC)CC1CCC(C)CC1	380155962	JRMACUPBZRCWKO-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](C[C@@H](O)C1(C)CCCC1)C1CCCCC1	382420195	QSKXRCLXSWOXHR-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
Clc1nc(-c2cccs2)cc2ccccc12	382742897	IALGNKUAZSRGNK-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
Fc1ccc2c(ccn2[C@H]2C=CCCCCC2)c1	385068384	SVUUSDKUUTVTNO-HNNXBMFYSA-N	243.325	4.842	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CCC2=CCCCC2)C1	385256791	XUQWQLVMFGUCMX-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
CC1CCC(C[C@H](C)[C@@H](O)c2ccccc2)CC1	386849410	SNSLSSJFNSPHPZ-KXJMLMMSSA-N	246.394	4.573	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCC[C@H](C)[C@@H]1C	391206907	SNHCQFICMBDBSW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](NCC1(CC(C)C)CC1)c1ccccc1	391840973	DKMBCHCKQMMDON-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCCC1(C(=O)c2cccc3ccccc23)CC1	393978008	UKNXLAMZTAZOMB-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
CCc1cccc2c(C(F)F)c(F)sc12	396200525	QIFVYGNPGCVLQL-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1ccc(F)c2sc(C(F)F)cc12	396205673	YTETYVPWRNDTQW-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCCc1ccc([C@@H](NC)[C@H](C)C(C)(C)C)cc1	399147239	DZEQWIRRQYAVEM-BBRMVZONSA-N	247.426	4.582	0	10	BJAE	
CCN[C@@H](c1ccc(CC)cc1)[C@@H](C)C(C)(C)C	399178655	NTJDAWHFKQDNJZ-CZUORRHYSA-N	247.426	4.582	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	403431135	UJXWCBZYUBIYQI-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H](C)CNc1cccc(F)c1Cl	690266310	DAXCHOKRPUYBRI-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1NC1CCCCC1	691156569	LNVQOSYAWCEHKH-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC(C)(C)C(C)(F)F	697098562	VTQICVPVOGKYQG-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
CC(C)=CCC[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C	697598573	JUPGXKRDYCURQL-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@H](NC)[C@@]1(C)CC[C@H](C)C1(C)C	699021431	GZICVIPBBIXJMO-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(CC2CCC2)CC1	703888655	ODZLCXQBOQWPLE-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(N)CC1CCCC1	704459797	LTGCYBOOAYXDKA-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CCC[C@H]32)c(Cl)c1	707861553	ROOUIYWYAOBYCF-YRGRVCCFSA-N	249.785	4.639	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)c1cccc(C2CCC2)c1	708270333	NXCUHYGIQRFZNZ-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@@H](C)CC(C)C	708278990	APBFAVZYCLVBFZ-YOEHRIQHSA-N	247.426	4.753	0	10	BJAE	
C[C@H](C[C@H](O)[C@@H]1CCCC1(C)C)CC(C)(C)C	709129468	UANVGERFYUGXFG-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccc(C3CC3)cc2)C1	709683727	KINVDCJZBHAUJV-MLGOLLRUSA-N	229.367	4.555	0	10	BJAE	
C1CCC(CCCN[C@H]2C[C@H]3CC[C@H](C3)C2)CC1	711030040	BSFNREYRRQDXES-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C[C@H](N)c1ccc(C)cc1C)C(C)(C)C	711048583	CZGWTHVCXHLZCN-HOCLYGCPSA-N	247.426	4.766	0	10	BJAE	
C[C@H]1CCc2cc(C[C@@H](C)C(C)(C)C)ccc2N1	711156552	HVZLTHOPAOPTLH-OLZOCXBDSA-N	245.410	4.658	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)c1csc(C)c1	711320352	KHZWBPGRMSFQGM-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
C=C/C=C\CCC[C@@H]1CCCCC1(F)F	713701604	NYEOBKAZORKDPX-VSQXVHSFSA-N	214.299	4.724	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@H]2CCCC[C@H]21)C1CC1	714301978	BRTZXECWTPWQLU-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC/C=C/C[C@H](CCC)c1ccccc1O	714560139	HURZHIJFONLHBO-GFUIURDCSA-N	218.340	4.632	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC[C@@H]1C[C@@H]1C1CC1	714897647	TWSXSIXEJKLDLM-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C[C@@H](O)CCC(C)=C(C)C)C(C)(C)C	718624708	CVCIJAJZYKQEPN-GJZGRUSLSA-N	240.431	4.946	0	10	BJAE	
CC(C)=C(C)CCCc1csc(C)c1	718747751	KXDPFVSNKXKDCF-UHFFFAOYSA-N	208.370	4.736	0	10	BJAE	
CCNC[C@]1(CCC(C)=C(C)C)CCC[C@@H]1C	718747818	MKMZBVDYUJZIIF-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCCCN[C@@H](CC)CC1CCCCC1	720951888	AXVQOQFIEUQBAX-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1CC12CC2)C1CCCCCCC1	722634804	YJBUPIOQLFGRTD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	723616510	WRVMFUCEVIMGFM-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CSc1ccccc1C)CC(F)F	1165561865	FBPANSDLGZHHRO-NSHDSACASA-N	244.350	4.769	0	10	BJAE	
C[C@H]1CCC[C@H](CNC2CCC3(CCC3)CC2)C1	1199759163	HGPCVRPBXBDMCH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC[C@H]2CCC=CCCC2)CC1	1308547545	MKTFTCYHCHJVHA-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H](C)C=C(CNC(C)(C)C)C(C)C	1883193432	ZCYHKRTUJAAACJ-AWEZNQCLSA-N	239.447	4.639	0	10	BJAE	
CCCN(Cc1ccccc1)[C@H](C)[C@@H](C)C(C)C	1889160986	FWJYOZBSLQSILP-JKSUJKDBSA-N	247.426	4.579	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC1(C)CCCC1	1900595353	XPECXGVLJXEVBH-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)[C@@H](C)CCC(C)C	1900597245	RPQMRUZVPJZCOW-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@@H]1C[C@H]1CC	1906232550	OZCCJCCHRRPLEJ-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C1(C(C)(C)C)CCC1	1909637934	YKLNEDHTEGVRAU-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@H]1C[C@H]1C(C)(C)C	1910782017	PZSMJKHPQGCPDJ-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1N[C@H]1CCC2(CCCC2)C1	1916439863	BPARFNAHTJWGSV-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](N)(CC)c1cccc(CC(C)C)c1	1920140186	VKQWANLRJXDYAY-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CCCC1CC(CO)(CC2(C)CCCCC2)C1	1921198724	NJXQIBRCEMQYMV-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCCCC2)CC[C@H](C)C1	1925797546	FZSDXXIBWVTUFB-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC(C)C[C@H](C)c1csc(C(C)(C)C)n1	1933230847	IEIBSLOSSDTEKC-JTQLQIEISA-N	225.401	4.590	0	10	BJAE	
CC(=CCCNC(C)C)CCCCCC(C)C	1940177225	DAVTWMWUJPMHAR-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
CC(C)c1cccc(NCCCC2(C)CC2)c1	1940882264	IVGJMPDEPKISRB-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CC1CCC([C@@H](N)CCCCCC2CC2)CC1	1941586226	JMSBXCXMXCBWHK-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC[C@@](C)(CNC(C)C)CC1CCC=CCC1	1941794386	UFFGIXBYNQIDPJ-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H]1CCC[C@@H](C)C1	1948920231	AKPVOUKIENGTCX-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](NC)[C@H]1CCC2(CCCC2)C1	1949527692	BRSGYMSEEUJFGK-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CCC1CC2(CCC2)C1)NCC	1949838220	UWJDOJZMZIRICH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@@H](CCN)C1	1950493363	GXJSSXCEZQHYJI-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
CC(C)CCCN(C)C[C@H]1CCCC(C)(C)C1	1962921438	KPYLBRVMCVNFRS-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
Cc1ccccc1N(C)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1964110042	OASMRJIDUVPHHI-FOLVSLTJSA-N	245.410	4.504	0	10	BJAE	
C[C@H]1C[C@H](NC[C@@]2(C)C=CCCC2)CC(C)(C)C1	1966037575	JVYJYPZHTMMWRE-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(OC[C@@H]2CCCC3(CC3)C2)cc1	1968346987	USTHYECAMIPQOL-OAHLLOKOSA-N	244.378	4.598	0	10	BJAE	
Cc1cccc(OCC2CC(C3CCC3)C2)c1C	1968365991	YBXAVLIWYLDBSM-UHFFFAOYSA-N	244.378	4.509	0	10	BJAE	
CCCc1ccc(N[C@H]2CCC3(CCC3)C2)cc1	1968426379	OAIMNOCRJCABQE-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
C[C@@H]1C[C@H](N[C@H]2CCCCC23CC3)CC(C)(C)C1	1972725132	KBXMSTADUPJQCO-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)CN[C@@H](CCC(C)C)C1CC1	1973163506	FTBVUKMQQOIARK-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CN)CCCCCC(C)C	1978628499	AGCPSBGKYNWOQX-OAHLLOKOSA-N	227.436	4.748	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@@H](C)CC(C)(C)C	1989804589	BHJCRQQNQJTKJJ-WFASDCNBSA-N	228.420	4.636	0	10	BJAE	
Cc1ccc(N[C@@H]2C=CCCCC2)c(Cl)c1	1990969327	RPSXVGXRXBZUPE-GFCCVEGCSA-N	235.758	4.559	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCC1(C)CC1	1995202187	CTNSMHXDOFXNHO-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@H](C)C(C)C	1995260166	SYQJQTOLORIZNT-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@H]1CC[C@@H](C)C1	1996268119	HVGFTKCDBMWFEY-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CC1(C)CCCC1)C1CCCCC1	1996592151	AMAUBLJQHIBNGK-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2CCC=CCCC2)C(=O)C1	1999982581	BVUNXCQIZBGFNW-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CN[C@@H](CCC(C)C)C[C@@H]1CCC=CCCC1	1999991932	SICJSAAZINAEFV-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCCNC[C@@H]1CCC=CCCC1	1999992594	WFRPUFMJNLHVGT-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CCCC(C)(C)C	2000189010	PGBDOCXGLWQGJU-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CC(C)=C[C@H](C)C1	2000355417	JVMYRAWOIATYJM-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
CCNCC(CC)(CC)CCC[C@H]1CC1(C)C	2000499936	PBGCLKHBJUDWIL-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](CC)(CC=C(C)C)CNC(C)C	2000514994	YARQPFYOZXLYEL-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)CC1(C)CCC1	2000524104	VNIVKYZSVNNPCG-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC1CC(C(=O)C2(CC(C)C)CCCC2)C1	2002321158	BFAAVGMBJIVNRB-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H]3CC[C@@H]32)cc1Cl	2004797162	JHHFSUVHKSXEMP-CORIIIEPSA-N	249.785	4.639	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C1(C)CCC(C)CC1	2007695143	IZZWOBCQUOXHMA-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)CC2CCCC2)CC1	2007698716	UNIRHDWEJBRTOV-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)CC2(C)CCC2)CC1	2007699543	YDWJRYUZVSDJKW-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCC1CC(C[C@@H](N)C2CCCCCCC2)C1	2007804493	PWVCTIFAJFPDFQ-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)C[C@@H](C)C(F)F	2008581721	NLUXLQKFHSPQNU-AGIUHOORSA-N	249.389	4.615	0	10	BJAE	
CC=CCCC[C@@H]1CCCC[C@@H]1CNCCC	2009616739	LPMMYXFIGOOCNB-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC=CCCC[C@@H]1CCCC[C@@H]1CNC(C)C	2009617492	SSDLOBJAHSAOTR-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)c1ccsc1	2010620915	FXFJHKXCHQWORO-IUODEOHRSA-N	249.423	4.535	0	10	BJAE	
CC(C)CC[C@](C)(N)C1=CC[C@H](C(C)C)CC1	2010739602	REWWQBNNAOZFDH-HOCLYGCPSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCC[C@@H](CC(C)C)C1	2013472089	AJSWSDRDRUXVBQ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)C[C@@](C)(CNC(C)(C)C)C(C)C	2015400562	QMDRMTFQFFTJSW-ZBFHGGJFSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@@](C)(CC)CNC2CC2)CCC1	2015641474	FPBYRRDETMUBRT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(N)CCC=C(C)C	2016115090	OHEJYPRWROVNNT-PMPSAXMXSA-N	237.431	4.667	0	10	BJAE	
CCC1(CC)CCC(O)(C[C@]2(C)C[C@H]2C)CC1	2016309731	BXPPMRSSSIBLAA-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@]1(C)C[C@@H]1C	2016454000	CGKDTFHECAUSQM-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@](C)(N)CC1(C(C)(C)C)CCC1	2017139755	YWOLGHBTCLPZCY-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@](O)(CC)C1=CC[C@H](CC)CC1	2018131294	SLMRKJTWTXPPDA-GOEBONIOSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@](N)(CC)CCC(C)(C)C1CC1	2018135292	XLBDCFHXGILSGV-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)N(C)CC1CCC(C)(C)CC1	2019228640	LDZDJADQLNDXAF-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCCN(C1CCCCC1)[C@H]1CC[C@@H](C)C1	2020536012	QCGBFOBJOZVTPN-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@H]1CCCC(C)(C)[C@@H]1NCCC	2020978745	WOCYXGDHXLDXQH-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1C[C@H]1C1CCCC1	2022566193	TXHNMNDOWUXTFX-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)CC(C)(C)C1(C)C	2025004113	ONZGLQOOEZWFCY-LRDDRELGSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CC(C)(C)C2(C)C)c1	2025017458	JBPYZDIJQNXTHG-AWEZNQCLSA-N	231.383	4.540	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1CC[C@H]2CCCC[C@@H]2N1	2027837232	PQLSSGJAZDJPIR-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(CC)c(NCCCC2(C)CC2)c1	2027840332	PQECCTMOKGOETB-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CCCc1ccccc1CNCCC(C)(C)CC	2027904961	DFDFMWBEEKSOJW-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
CCCN[C@H](c1ccccc1C)[C@@H](CC)C(C)C	2028262284	JIOQGUNBPJGJAK-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2C[C@H]3CCCC[C@H]3C2=O)C1	2034264586	QZVRAUBNUIHBTN-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C[C@H]1C=CCC1	2035575944	LNDJDMOMEJHWRZ-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@H]1CCC[C@@H]1C	2035576001	LZUFXCRVBKEGEN-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(N[C@H]2CCCC23CC3)CCCC1	2035884098	BYOLGWVEMSWUHB-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CCN[C@H](CC1CC2(CC2)C1)C1CCCCCC1	2036755317	LEVPKNZKMGKNGK-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@@H]1CC1CC(C)(C)C1	2037225910	KEVQDIFVSGBKNB-SWLSCSKDSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H](NC)c2ccccc2)C1	2038137089	AGYGLSMMPDVPQN-HLLBOEOZSA-N	245.410	4.554	0	10	BJAE	
CCC1(NC[C@@H]2CC23CCCCC3)CCCCC1	2039092399	PKJUYQHDZXXSQM-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H]1C[C@H](C2(C)CCCCC2)C12CCCC2	2039844888	XWRWCQDNROVXKJ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)CC2CC3(CCC3)C2)CCCCC1	2039873032	SGMPZNGVGJIYDV-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CCCC(C)(C)[C@H](NC)c1ccccc1C(C)C	2040723312	IHVDTNQQAMHJEE-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNC[C@H]2C=CCCCC2)CC1	2041542861	ZMJGGSDWQOVXSO-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CC1CCC(C)CC1)C1CC=CC1	2042024677	OBEBCPQAZUKCGR-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CC(C(C)(C)C)C1)c1ccc(N)cc1	2043005519	WOUOJLHUYYXYBF-OPFPJEHXSA-N	245.410	4.835	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2C(C)=CCC[C@H]2C)C1	2045681664	BWOFCNNMMUMURP-WCVJEAGWSA-N	248.410	4.764	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC12CCCC2)C1CCCCC1	2047020465	PTPSXTGQTLMESR-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C[C@@H]2C=CCCCC2)C1	2049538271	XVPPELBXSPRODR-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)CC2CC3(CCC3)C2)C1	2049539799	JEUPYRPPYPJWIP-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(O)cc(NC2CCCCCCCC2)c1	2049679657	YIMSREDRTUQZPE-UHFFFAOYSA-N	247.382	4.616	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H]1C)[C@]1(C)C=CCC1	2050011165	ZOFRJYUUIPJUEA-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@H](N)c1cccc(C)c1	2050466282	ZDVDWSOITKUOLL-VYDXJSESSA-N	245.410	4.601	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2C=C(C)CCC2)CC1	2055551009	FLNSYJLHGVSBEW-MRXNPFEDSA-N	249.442	4.824	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)C=C1CCCCC1	2056918113	XQHJZKIJJBTJGX-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
C/C=C/CCCC(=O)c1ccccc1C1CCC1	2059195153	DRWAUVCNESWKCE-NSCUHMNNSA-N	242.362	4.883	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1CC(C2CCC2)C1	2059262493	MRCISMDSUNLKOZ-XFJXHMJPSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N)(CC2CC(C3CC3)C2)C1	2059494711	BZNODEDLEFBOLH-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@](C)(N)CC2CCC2)CC1	2061112696	IGTIIVONNBABAE-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)[C@H]2CC[C@H](CC)CC2)CC1	2061149082	ACWPNZHTEFHTNH-NXNVCVFFSA-N	249.442	4.667	0	10	BJAE	
CCCC(CCC)[C@H](CC1CC(=C2CC2)C1)NC	2061731251	QYRPYIHAOBEWJM-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C1CC2(C1)CC(C)(C)C2	2062632470	XYQMWXYIOPPUIO-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CCC1(NC[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063470923	HDQBFXOPDMJJRL-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2C[C@@H]3CCC[C@H]3C2)C1	2063523759	FNEAISKDPCLIHL-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@](N)(CC12CCC(CC1)C2)C1CC1	2065339877	PZPRTEFLXCGYMJ-PREGVCBESA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](C[C@H]2CC23CCC3)C1	2069173354	FLIFDLQSMKPYEI-MJBXVCDLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C2(CC3CC3)CCC2)C1	2069503414	JWJSATLCRAYIEB-NHAGDIPZSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1CC[C@H]2C[C@H]2CC1	2070397990	JVYJTVIDMSPRAI-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1C[C@H]2CCCC[C@H]21	2070399988	UHVGYJUOHRABTI-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
C[C@H](Nc1ccc(C2CCC2)cc1)C1CC=CC1	2070806683	DFTZFLWNTYESDX-ZDUSSCGKSA-N	241.378	4.721	0	10	BJAE	
Cc1cccc([C@H](N)CC2(C(C)(C)C)CCC2)c1	2071942437	DQILSSCMOKSUCT-OAHLLOKOSA-N	245.410	4.601	0	10	BJAE	
CN[C@H](CC1(C(C)(C)C)CCC1)[C@@H]1C=CCCC1	2071947748	BXGZEXXXMHMLSL-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1[C@@H](O)CC[C@H]1CC[C@H](C)CC1	2072779033	XUJIXDHIULAVAA-QRTARXTBSA-N	246.394	4.635	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@H]1CCCC12CCC2	2074885962	PUMNQEILWXYHOS-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CN[C@@H]1[C@H](CCC2=CCCCC2)CCCC1(C)C	2076394509	BRGBHUQHLHXFHC-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2C[C@H]2C2CCC2)c1	2079282531	NAQHYAXHDRMAPA-WBVHZDCISA-N	243.394	4.658	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H]1C[C@@H]1C1CCCCC1	2079437080	ZKWLQXOFQQCHPK-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCCCC1(NC[C@@H]2C[C@H]2C2CCCCC2)CC1	2079650535	KTBWFUFCIHMJBF-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](NC)c1cc(C)cc(C)c1C	2082917836	CZRYVZQZMLIENP-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
CN[C@H](C[C@H]1CCCC(C)(C)C1)[C@]1(C)C=CCC1	2082989159	YXEFPCNAKCXOKN-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2083040209	CQADPADBPBVAFB-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1cccc(C(C)(C)C)c1	2083552186	HPZIFVGXMSWSMZ-HZPDHXFCSA-N	248.410	4.700	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)C(C)(C)CCC	2212117205	NRSGXCTUGMENDD-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](NCCCCCCC1CC1)C1CCC1	2213575372	FNPKFEJVNWUAGE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)c2scc(C)c2C)CC1	2213646189	YKCUBDLEDUZRER-OCCSQVGLSA-N	249.423	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CCCCC1CC1	2214560430	LYIVCAWFHOXEAQ-INIZCTEOSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CCCCC2CC2)C1	2214568735	JHXKUIDVJNXDBK-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](N)[C@@H](C)CCCCCCCC1CC1	2216879865	NZOOGVXATQYQEC-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)c1coc(C)c1	2218730281	HPFCKNRCXGPTKN-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@]1(N)CCCC12CCCCC2	2220878887	OJMYTHLJKKUHPO-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@H](CN[C@H]2CCC[C@H](C(C)C)C2)CC1	2221667405	LBDAQGASOQRTGS-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCC1(C(=O)C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	2222955444	SZBOYDDWUPXSME-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@H](CN[C@H](C)CC)c1ccccc1	2223563541	UZHHDLDMDZALTL-NVXWUHKLSA-N	247.426	4.739	0	10	BJAE	
CCCN[C@H](c1ccc2occc2c1)[C@@H](C)CC	2224129183	CMNIPUXDQBYNLU-LRDDRELGSA-N	245.366	4.520	0	10	BJAE	
C[C@@H](C[C@@H](O)c1cccc2ccoc12)C(C)(C)C	2224195402	CQCHKULKOWESRD-SMDDNHRTSA-N	246.350	4.539	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@H](C)CC(C)(C)C	2244788231	PDZYBGGEUOYKFL-IHRRRGAJSA-N	227.436	4.602	0	10	BJAE	
Cc1cccc(-c2nc(C(C)C)c(C)s2)c1	2245945826	OKBWRJUJNAPSQE-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](O)CCCC2CC2)C1	2246695904	QCQPLZUXGUYKLT-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCC[C@@H](C)C1)C1CCC1	2246731629	HVMBQXUTXDJKPV-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](O)(CC1=CCCCC1)C1CCCCC1	2247460984	HYBDFLBMTXAGBM-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@](O)(CC2=CCCCC2)CC1	2247518790	RXKGGSHIAABVHH-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)c1csc(C2CC2)c1	2248068290	HCZHUXLKNXYKKH-LLVKDONJSA-N	246.375	4.555	0	10	BJAE	
CC[C@H](C(=O)CCCCC[C@@H]1C[C@@H]1C)C(C)C	2248807243	NNZCRVHNKPONIS-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CC1CC(CC(=O)CCCCC[C@H]2C[C@H]2C)C1	2248857748	ZLPZVMJICBXJAN-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCC(C)(C)C1CC1)NC	2250358394	MDNUVFCUZAZDEL-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@H]1CC=CCC1	2250526621	FUHMNJNLPUHVFJ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@@H](C)C(C)(C)C	2250531410	XRTJIWBCMHDTLP-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CC(C)C)c1ccc2ccsc2c1	2253056334	HNHAZGURKKKQNL-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)C[C@@H]3CCC[C@@H]3C2)C1	2253909921	DZSVDUMIIYDCIF-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2=C[C@@H](N)CC(C)(C)C2)C1	2253923194	PZTTYXHZSHKXKD-IJEWVQPXSA-N	249.442	4.667	0	10	BJAE	
N[C@@H](CCC1CC2(CCCC2)C1)C1CCCCC1	2254079843	USMDNVSBKXQIMD-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C1CCC2(CC1)CC2	2254580963	FNNJNPYJPUHLAF-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CCC1([C@@H](C[C@@H]2CCC23CCC3)NC)CCCC1	2255026408	IJFLXYFYOQEDKL-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCCC12CC2)CC1(C)CC1	2255245768	MLABGFFOUNBYEV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CC[C@H]2CC[C@H]1C2	2257312280	RFNAQSCBZPMSPM-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cc(C)c(C)c(C)c2)C1	2258239046	PLEAIGSHAVJAEH-HOTGVXAUSA-N	245.410	4.993	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](c1ccccc1)C1CC1	2259478353	PTBIADDJVHINMN-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2CC3(CC(C)C3)C2)C1	2259554744	RYCWRYMFWAQHCI-ZJVBCEJDSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@@]12CCC[C@H]1CC2	2260509302	USZKYEWQIXFRHU-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@]12CCCC[C@H]1CC2	2260525361	UTITXQMTODQBTD-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@]12CCCC[C@@H]1CC2	2260525563	WDUZOUYFWCGDJU-AIANPOQGSA-N	248.410	4.742	0	10	BJAE	
O=C(C[C@]12CCCC[C@@H]1CC2)C1CCCCCC1	2260564815	IIONITOZMVEYKR-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
N[C@H](CCC1CC1)c1cccc(C2CCCC2)c1	2260728573	DSONWOSTEFQHKR-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CCNCC1(C2=CCCCC2)CCCCCCC1	2263143876	BCCKLWAUFBDJBV-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
C[C@H](CC1CC1)C(=O)C1(C)CCC(C)(C)CC1	2298869878	SKLDUBIEDCPLHR-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CC1(C)CCCCC1	2300498450	ZFEHUWRTIVCZSG-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CC[C@H](C)CC1	2300906894	MWOCMEHMPCNPAU-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@H]1CCCCC1(C)C	2300909701	QREXWKDTJDFNRJ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@H]1CCCC1(C)C	2300910416	ZLXBUIPYJOGQHL-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(N)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301143289	SICWYFXBFPUJFD-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)CC1CCCCCC1	2301706661	HGIKYMCUCQSZEL-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](N)C1CCCCCCC1	2301895690	AZBBQVITIKSOMW-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H](C)[C@](C)(N)CC1(C(C)(C)C)CCC1	2301936875	ZWPDFRMEMRAHSP-UKRRQHHQSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CNCC(C)C)[C@@H](C)[C@H](C)C(C)C	2301959740	WERJCVLQOUMYHJ-OWCLPIDISA-N	241.463	4.577	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CC1(C)CCCCC1	2302611448	CXLAPYNTGZZRSL-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCc1cscc1N[C@@H]1CCC[C@H](C2CC2)C1	2302891276	AYCYTEPGRDMWND-UONOGXRCSA-N	249.423	4.691	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C	2303449916	NMKZXTVNSPCDKG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)N(C)C[C@H]1CCC(C)=C(C)C1	2303523970	LOGRSQAJZMSPSK-CVEARBPZSA-N	237.431	4.633	0	10	BJAE	
CCCN[C@H](C)CCC[C@@H]1CCC(C)=C(C)C1	2303527758	VZTKAPLXXUVEFS-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)NCC(C)(C)CC[C@@H]1CCC(C)(C)C1	2304428063	JMJZTYYHKMJNCD-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@@H](CC)CCC	2307894921	TXLWHJRLYZITHL-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)CCC1=CCCCC1	2307901113	HPXPVFQLJNIKBB-ZBFHGGJFSA-N	237.431	4.811	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@H]2C[C@H]3C[C@H]3C2)CC1	2311021447	PDCLFDXINSEROR-WFLNUHJHSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCC1CCC1)C[C@@H]1C[C@H]1C1CCCCC1	2311566927	YGRMUOABBIULNR-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
N[C@H]1CCCCCCC[C@@H]1C[C@@H]1C[C@@H]2CC[C@H]1C2	2312950918	KBQHQFXJPIVWID-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@H](N)c1ccc([C@H]2C[C@H]2C)o1	2316247679	HILVPORQYPJBNQ-XBFCOCLRSA-N	249.398	4.619	0	10	BJAE	
CCC(C)=CC[C@H](NC)c1ccccc1C1CC1	2316502163	JTYBPOBAWLDFSL-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@H]1C[C@H]1C1CCCCCC1	2316508587	KWJHHAYUDWVBQB-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CC(=CCN1CC[C@H]2CC[C@]21C)CCCC(C)C	2316514359	DAMSMPYYJCGGJR-IAGOWNOFSA-N	249.442	4.633	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H]1C[C@H]2CCC[C@H]1CC2	2316691281	VSJMRKWMXUONDK-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1C[C@H]2C[C@H]1CC21CC1	2317180794	RKAXQJOJXBOKIP-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCn1c(C)cc2cc(F)ccc21	2317530531	VUFVDHARLMQWTR-OLZOCXBDSA-N	245.341	4.525	0	10	BJAE	
CC[C@H]1C[C@@H]1CCn1c(C)cc2cc(F)ccc21	2317556836	VUFVDHARLMQWTR-STQMWFEESA-N	245.341	4.525	0	10	BJAE	
CN[C@H](C=C1CCCCC1)CCC1=CCCCC1	2317908299	XQVPSWMGPRHFEW-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CC(C)(C)[C@H]1C	2318270024	JOOSZXRZTWFGHB-WFASDCNBSA-N	244.378	4.675	0	10	BJAE	
CN(CCCC1=CCCCC1)[C@H]1CCC12CCC2	2318576785	SEGIJOLYZBFLLD-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C[C@@H]1C[C@H]1C1CCCC1	2318931419	CQZLPCQKFOYBSB-FAYQHZLMSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCCNC23CCCC3)C1	2319138925	PPSKDEKDCMCNHG-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2CC[C@@H]2C(C)(C)C)c1	2320255296	VQSPSIRPSONPIC-GJZGRUSLSA-N	246.394	4.755	0	10	BJAE	
CCCN[C@@H](CC1CC1)C[C@H]1CCC(C)=C(C)C1	2320388730	SXTXXPYLQQWHHQ-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2C[C@H](C)CC[C@H]2CN)CC1	2320389564	BEZFJDVQXNWJRW-VZEFYGNVSA-N	249.442	4.524	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)C2(C)CCCCC2)CC1	2320422211	GACFMKOYLFECFZ-HZPDHXFCSA-N	249.442	4.824	0	10	BJAE	
CC[C@H]1CC[C@@](O)(c2cc(C)ccc2C(C)C)C1	2327700548	BXVSBNGBRUWBKW-YOEHRIQHSA-N	246.394	4.516	0	10	BJAE	
CCCCCCc1ccc([C@@H](N)C2(C)CC2)cc1	2327899169	MBMFIQONKFNUJT-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CCCC[C@@H](C(C)C)N(C)[C@H](C)c1ccccc1	5792983	BNEAHCZQSFXULG-WBVHZDCISA-N	247.426	4.894	0	10	BJAE	
C[C@@H](NC1CCCC1)c1ccc(C(C)(C)C)cc1	21795108	NBLSNLHIJWJYTG-CYBMUJFWSA-N	245.410	4.577	0	10	BJAE	
CCC[C@@H](C)[C@H](N)c1ccc([C@@H](C)CC)cc1	21815752	URWHRMUQYGIBLM-ZENOOKHLSA-N	233.399	4.636	0	10	BJAE	
Cc1ccc2c(Cl)cc(C(C)C)nc2c1C	36913022	JSLONCKELMCJDV-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
Fc1cccc(N[C@H]2CC[C@H]3CCCC[C@@H]3C2)c1	37202672	USOYKPJACUMZOM-IOASZLSFSA-N	247.357	4.597	0	10	BJAE	
C1=C(c2ccccc2)SC2=C(C1)CCC2	37625793	SBSSIAXYPCYKQH-UHFFFAOYSA-N	214.333	4.602	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)C[C@@H](C)CC	71127813	JMKYIKLCVOWCSJ-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@H](C)CCCCN	71562556	ZGYZFKCUHRPOPH-CYBMUJFWSA-N	247.426	4.525	0	10	BJAE	
CCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCC	85157027	ROKYZZBARBFBAR-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)N[C@H]1CCC[C@H](C(C)(C)C)CC1	86955251	ULCUCNUUXCBBHC-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCCC)[C@@H]1C[C@@H]1C	88054433	FMABYILNUVOYGH-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](O)[C@@H](C)C(C)C)cc1	90484899	JZZJHFPOHMVEME-XJKSGUPXSA-N	248.410	4.700	0	10	BJAE	
CC[C@H]1CCC[C@@H](/C(C)=C/CCNC(C)C)C1	93675545	BTPAYZIGGZHQLJ-LSHVTDEISA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)C[C@@H](C)CC	104010767	FTCZNXOTLWHRDJ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](N[C@@H](C)c1ccccc1)C1CCCCC1	109952678	YDZIIGWAMJVGMH-WMLDXEAASA-N	245.410	4.696	0	10	BJAE	
Clc1ccc(-c2ccc3ccccc3n2)cc1	114434493	GXFBUBKTTCNIRT-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
c1ccc2c(c1)CC[C@H](c1cc3ccccc3o1)N2	129020256	TXAAVNDWNLGZKP-OAHLLOKOSA-N	249.313	4.532	0	10	BJAE	
CC[C@H](C)[C@@H](C(=O)CCC(C)C)c1ccccc1	164733918	ZATOZYZHCYZSJZ-WMLDXEAASA-N	246.394	4.822	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(CC2CCCCC2)C1	164786213	SRQRREKRGAQGKF-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C)c(Cn2ccc3ccc(C)cc32)c1	166366147	FPVFCSRRUNUUOI-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCC[C@@H](O)CCC[C@H](C)C1CCCCC1	223450590	DKZZZCWJFHQCOP-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCC1(C)C	226007725	ZSHMEQVCZKSIOZ-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H]1CCCCC1(C)C	226563754	OODSGFRDHLCEHN-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@H](O)C[C@H](C)CC(C)(C)C)c1C	229347356	HAJZGHXKLFWNCL-BLLLJJGKSA-N	248.410	4.799	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C1(CC)CCCC1	229559218	QVXVDZOPXYBEPO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC1CC1)C1(CC)CCCC1	229559225	QVXVDZOPXYBEPO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(CNCCC2CCCCC2)CCCCC1	232862017	IUWZDOVFKFERLY-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1cc2ccccc2s1	233350205	YNZSZAQDMXOAFV-NHYWBVRUSA-N	247.407	4.598	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2cc(C)ccc2F)C1	235394668	IJDXXUYEYNJXSK-JSGCOSHPSA-N	247.357	4.538	0	10	BJAE	
Cc1ccccc1N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	250989068	NNHFFAKNLHWZMW-JLJPHGGASA-N	245.410	4.868	0	10	BJAE	
CCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1NCCC	251379838	RLILLXAIOGSKCK-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCC[C@H](CC(C)C)C1	300309242	MQYYKRUPXDWQPS-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H]2CCC23CCCCC3)C1	300685996	ZCYJXXGDOBNJMU-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C[C@@H](C)C(C)(C)C	300992040	VUHSIOXNLLZACX-QWHCGFSZSA-N	226.404	4.700	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CCCC(C)(C)C	302258873	DNMQCORHUVDMJR-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccc(C(C)(C)C)cc1	302332290	IDSYZAZYRMPQRA-BBRMVZONSA-N	248.410	4.844	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@H](C)CC(C)C	302430111	VGERGNWXNGEHHO-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1CCCCCCC1	304176786	NWYIUFLQPQRHLZ-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1csc2ccccc12	304193622	CSMOYAMAEJOBHC-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
C[C@H]1C[C@@H]([C@@](C)(O)CCC(C)(C)C)CC[C@H]1C	306058006	RQIQWSDAHAXPFX-HOSILWTGSA-N	240.431	4.636	0	10	BJAE	
CSc1ccc2sc(S)c(Cl)c2c1	307188967	SJSUPEXDCGJERS-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@@H](C)CC(C)C	308062995	UMYPYJDMIYBMJY-ARFHVFGLSA-N	241.463	4.848	0	10	BJAE	
CCNCC1(C[C@@H](C)CC)CCC(CC)CC1	317122945	DCBASEKJZISVPV-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CC(C)NC[C@]1(CC2(C)CCCC2)CC=CCC1	317275020	IBURVSHWJAJZFZ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](CNC(C)(C)C)C(C)(C)C	319446730	SALUXJRFKLMRFE-MELADBBJSA-N	241.463	4.719	0	10	BJAE	
C[C@@H](NCC1(C)CCCC1)C1CCCCCC1	379915286	OCHFANBJEHCQQB-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](NCCC)C(C(C)C)C(C)C	380117875	BAEYGOKJKCXSLM-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCc1cccc(OC[C@H](C)C2CCCCC2)c1	380896505	LTAQMPGWZGALPS-AWEZNQCLSA-N	246.394	4.844	0	10	BJAE	
CCCC1(N[C@H]2CCC[C@@H](CC)C2)CCCC1	382300849	PLNRTWKMUFTLJB-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@H](C)NCCCCCC(C)C	383193512	XGRIEHHYSTZOOA-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
C[C@H]1C[C@@H](CCC(C)(C)C)Nc2ccccc21	383340091	XIYIBQBIGPFHPI-QWHCGFSZSA-N	231.383	4.801	0	10	BJAE	
CN[C@H](CCC1CCCC1)CC1(C)CCCC1	383795522	RYEUWARLBJLOPM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cccc(C(F)F)c1	386190615	PWXJIBFPUFZAJK-GWCFXTLKSA-N	239.309	4.615	0	10	BJAE	
Cc1cc(-c2ccccc2C(C)C)ccc1C=O	395381002	RHBBOQLGIRHSRI-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
Cc1cscc1N[C@@H](C)[C@H]1CC2CCC1CC2	395690983	GJHQDSZNPLLXBZ-GFJIZPEISA-N	249.423	4.683	0	10	BJAE	
CCc1ccc2c(C(F)F)c(F)sc2c1	396203574	VBQZNDHHJSZXTI-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCOc1c(C)ccc2c(C(F)F)csc12	396247067	QJINIYXRFHBCOH-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)CCC(C)(C)C	398624498	LORBHNOJDMFRLD-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@@H](C)CC)[C@H](C)C(C)(C)C	399210031	UMMWDWBSAYXVEI-LJISPDSOSA-N	241.463	4.719	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@@H](C)C(C)(C)C	399229789	YVHKCXVXLVSPHO-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H]1CCC[C@@H](C)C1	400478575	VKYYKSSSJSJGHB-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@H]1CCC[C@H]1C	402119330	ASUDBZAVAMSZEO-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
c1cc(C2CCC2)ccc1NCCC1CCC1	690096039	WWMAWBBHPSTMRF-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1Nc1cccc(F)c1	691107364	WWJQQDUXFUUBHA-HZPDHXFCSA-N	249.373	4.843	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)CCCc1ccccc1	696601153	ZFLRPMUXPYSLRZ-INIZCTEOSA-N	248.410	4.587	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCC(C)(C)CC)C1	696802170	JJWUVILBDALPHP-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCC[C@H](C)CC1	696809752	YTGHLQYLQZAZCI-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCC[C@H](N)c1ccc(C(C)C)cc1	697754158	ARQOFSTVVCSMPH-INIZCTEOSA-N	231.383	4.556	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)CCCC(C)(C)C	704723684	NAKAYOBNVOAQAH-QWHCGFSZSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@](CC)(CNCCC)CC(C)(F)F	704736793	ZIYVVRKTFBOMQX-AWEZNQCLSA-N	249.389	4.618	0	10	BJAE	
CC(C)C(C(=O)C[C@H](C)CC(C)(C)C)C(C)C	709198070	FSQMIFRRNYJPTN-ZDUSSCGKSA-N	240.431	4.946	0	10	BJAE	
Cc1ccc(C)n1[C@H](C)CC1CCCCC1	709884972	ZEWNRFLTXNKELY-CQSZACIVSA-N	219.372	4.636	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C12CCC(CC1)CC2	710048085	RXOMMHSSKKDINB-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C[C@H](N)c1ccc(C)s1)C(C)(C)C	711213307	XVKIPTAMUCDZCH-NEPJUHHUSA-N	239.428	4.519	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1C[C@H]1C1CC1)C1CCCCC1	712900850	YLSIUJJBGTZZIH-PVUWLOKVSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1ccccc1C(C)(C)C	713160484	NVKIVDHOPHVXRL-HNNXBMFYSA-N	247.426	4.681	0	10	BJAE	
CCC[C@](N)(CC(C)(C)C(C)C)c1ccccc1	713161748	XIAFZLMSIWIEQH-KRWDZBQOSA-N	247.426	4.713	0	10	BJAE	
CCN[C@@H](CC(C)(C)C(C)C)C(C)(CC)CC	713207158	AKZRRWFLCUMREC-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCCc2ccccc2C1=O	713306609	LJANZSJIKRVGAW-AWEZNQCLSA-N	244.378	4.648	0	10	BJAE	
CC(C)CCCCCC(=O)CCC(C)(F)F	713966566	JQACNFQMHRAOAI-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CCCC1CCC(N)(CC[C@H]2C[C@H]2C2CC2)CC1	714770977	MDGDCOQXPWFZTM-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1cscc1C(F)F	717194360	SUIXXUPGZBTUKT-KWQFWETISA-N	247.354	4.512	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)C[C@H](C)c1ccccc1	718694224	SLFCXZRWVNXIOY-DOTOQJQBSA-N	246.394	4.678	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCCC(C)(F)F)C1	718708398	CSGOJLBBYZQQGL-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCCCCCN[C@@H](CC)CC1CCCCC1	720939534	FRVPDGHGWURYGH-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CC[C@H](CC1CCCCC1)Nc1ccccc1F	720944333	OAFWLWLRNPZYEN-CQSZACIVSA-N	249.373	4.987	0	10	BJAE	
CCc1cccc2c(CC(C)(C)C)c(C)[nH]c12	822185951	ZUMQSGYMVIKFRA-UHFFFAOYSA-N	229.367	4.627	0	10	BJAE	
Fc1cccc(-c2cccc(-c3ccccc3)c2)n1	1239651899	FTNWXIULKGLQLI-UHFFFAOYSA-N	249.288	4.555	0	10	BJAE	
Cc1ccccc1N(CCCC1CCC1)C(C)C	1307566350	FJOIEGCCJZNBPF-UHFFFAOYSA-N	245.410	4.790	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@@H]2CCCC23CCC3)C1	1658357235	WQUWBDHARIDMRM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](C)(N)CC=C(C)CCCC(C)C	1900855023	MVMJWAHEQZMITR-HNNXBMFYSA-N	225.420	4.667	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC[C@@H]1C[C@H]1C)NCC	1908547942	YODIWKWZXNQPPO-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1C[C@H]1C(C)C)NCC	1910741625	ZONGHSOCVZXJRN-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC=CCCc1ccc(CCCC)cc1	1911808866	NOBDFESCEGNGHA-UHFFFAOYSA-N	202.341	4.538	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@H]1CCCC[C@@H]1C	1912110333	CCLUWHMXBLJUJF-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@H](C[C@@H](CC)C(C)(C)C)NC	1912116196	BOBXCZGDDKWLEQ-HUUCEWRRSA-N	237.431	4.559	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C1CC2(CCCCC2)C1	1912625091	LUWHOPYZWRROPY-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CCC(CC)C[C@@H]1CCCCCCCC[C@@H]1O	1913404978	QRXJRDAOSNPODD-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CCCC1(C)CC1	1919969416	JEDQXXDCJRYMEJ-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1CC(C(C)C)C1	1921105365	OJUWKNNVUKWESB-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@@H]2CCCC23CCC3)C1	1921605025	QTXIOBIVZKXQHZ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H](C)C1CCCC1	1924099745	SSXUEQRKRWPPME-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)CCCC(C)(C)C	1924129304	DHNVAZIPEQKJBC-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCC(C)(C)C[C@H]1CN	1927166322	QWAJPKKWRJASTR-KGLIPLIRSA-N	239.447	4.604	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)CCC1CCCCC1	1940852892	JKVNNRYQVDRUDH-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1CC1(C)C)C(C)(C)C	1940873173	PUHAVHPMKPIIJD-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CCC1CCC1)CC1CCCCC1	1941472170	KXKWSYNRTIRNLI-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1(C)CC(C)(C)C1	1941987643	MBXVBYHVTIHKGV-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](NC[C@@]1(C)C=CCCC1)c1ccsc1	1943134419	QXCCZGAAQYZKIS-CABCVRRESA-N	249.423	4.535	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C[C@H](C)C1CC1	1944518749	XVPRFAUQRSEBSA-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)C)C(C)(C)C1CCCC1	1944646549	NAABGBYQBDGCHX-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1COc1cccc2sccc12	1944787407	ZYYFPOJZKKUWGN-VXGBXAGGSA-N	246.375	4.716	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944835881	GGFXWBAUMZRBOH-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@H]1CCC(C)(C)C1	1945598291	LUOVJTKXZVWPGT-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCC[C@H]1C(C)C	1947464908	HLMBIYCIORDLMA-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(O)CCCCCCC2)C1	1947546909	NMGDWEVAEUAJRD-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@H]2CCC[C@@H](C)C2)C1	1948406585	CEKUXXSCMBMFTB-NOZYUVCASA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@@H]1CCCC(C)(C)CC1	1950913808	KOPYXWZFFYZECW-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCC=CC[C@@H](CC)c1cc(C)ccc1OC	1951308135	AIFUINDHVYQQPQ-CQSZACIVSA-N	232.367	4.854	0	10	BJAE	
Cc1ccc(N[C@H](C)c2ccc(F)c(C)c2)cc1	1968258574	ASKSBIXSQUDYJE-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCCc1ccc(N[C@H]2CCC23CCC3)cc1	1968295490	MVGNOHBHYZHEME-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CC[C@H](C)N(CC)Cc1ccc(C(C)(C)C)cc1	1969517009	DHNYEMXLPRQKDX-AWEZNQCLSA-N	247.426	4.605	0	10	BJAE	
CCCCC1CC(Nc2cccc(C3CC3)c2)C1	1972459694	KSBAVAUIRPKRBI-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CC1(C)CCC[C@@H](NCCC23CCC(CC2)C3)C1	1973945633	MKNLNWWHSQQWNT-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCCCN(CC(C)(C)C(C)C)[C@@H](C)CC	1978896917	VCNZJEQUMXBTLR-AWEZNQCLSA-N	227.436	4.569	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CCC(C)(C)C	1981000354	SMTLMVHSSQNKCG-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCC[C@@](C)(CCCC)CNCC	1984635800	SQFHZCIKUKFCSF-SBJJXXPASA-N	225.420	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@@H](N)CC)CC1	1989816553	MJVLXSQGBNUWQF-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)NCCC(CC)CC	1990092006	TYACTLCPFRXGRU-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@@H](CC)CCC(C)C	1990880405	HIKDZSJLTWZXMM-KKUMJFAQSA-N	227.436	4.568	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cccc(C)c1Cl	1994204889	SVVOVXNYLIDFLF-SMDDNHRTSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H](C)CCC	1995215724	YIGJAIVEHCTQOS-ZIAGYGMSSA-N	226.404	4.988	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@@H]1CCCC(C)(C)C1	2000042894	WVQWYZLMNCQEFQ-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C(=O)[C@H]2CCCC[C@@H]2CC)CCC1	2000195551	UNDBQFYDDJEHQP-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCNC[C@](C)(CCC)CC[C@H]1CC1(C)C	2000513626	JNMAPEJONBELPM-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](NC1CCCCCCCC1)[C@H]1CC1(C)C	2003097861	INMIKZWQAGZEDI-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@]1(C)C=CCCC1)CC(C)(C)C	2003333361	CGUAZRDLCFOVKV-FMKPAKJESA-N	237.431	4.523	0	10	BJAE	
CCN[C@H](C(C)C)C1CCC(CC)(CC)CC1	2004337490	RRVFCHPWVXHNFX-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC1(O)CCC(CC)(CC)CC1	2004339914	UXHVRHBFHPEZMC-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](C)CC1(N)CCC(CC)(CC)CC1	2004341621	LKIFHBNOBSYRIZ-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H](C)[C@@]1(CNC(C)C)CCCCC1(C)C	2005598533	WCCZMJDRCFJHTM-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)[C@@](N)(CCCCCC(C)C)CCC1	2006966881	ZIMZLNDNHNGXPT-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
c1cc2cc(NC3CC(C4CC4)C3)ccc2s1	2007778786	PWYYNQGEFZYSTL-UHFFFAOYSA-N	243.375	4.502	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)c1cscc1C	2007936224	BYMPJRXVNSKBQP-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)CCC(F)F)c1	2008583600	VJRHEWQNLNZEMI-NSHDSACASA-N	241.325	4.656	0	10	BJAE	
CCC1(CC)CC(N)(C[C@@H]2CCC[C@H](C)C2)C1	2009303368	GPQKULRQZNZHSR-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@@H](CC1CC(C)C1)NCCC	2009618177	ZSRAYJVUKNOFPX-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1(C)CCCCC1	2009620340	ULAUJRXKWQMWSS-CSPWOOARSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC(C)C)CC[C@@H](C)C1	2009628812	POMWODYISWWVOH-DOOVEFGSSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](O)(CC)CC1CC(=C2CCC2)C1	2011064292	PNCVSNCPNPJSMN-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)CC1(N)CC(CC(C)(C)C)C1	2014657556	VNHJLQPCHIGTSX-VQCLRJIVSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@@H]1CCC1(C)C	2014862634	RDVWHRHLVQYBDT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(N)CCCC[C@@H]1C(C)(C)C	2015393240	BMRJHILOAPBINL-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CCCC1(CC(=O)[C@H]2C[C@H]2CC(C)C)CCC1	2015600172	YLHLZEUTXKEAPH-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cc(C)cc(C)c1	2016143240	DRBPHMXNUPXBGK-OAHLLOKOSA-N	231.383	4.850	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@@]1(C)C[C@H]1C	2016386355	JIJRMTAGRPBPDL-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1([C@H](N)CCC2CCCC2)CCC1	2017133144	NOQOPRFYVSTZQU-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)C[C@H]1CC[C@H](C)CC1	2017721781	LMCPCEKZDROSKH-AJNGGQMLSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H]2CCCCCC[C@H]2N)CC1	2017731844	WFEFFEPCVSNUDG-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@H]2CCCC[C@H](N)C2)CC1	2017738483	VAOCOIVFCVGRDQ-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@]1(CC)CCNC[C@H]1CC(C)C	2018134510	PENRPKAAYYJHLM-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCCC2(CC2)C1	2018138149	CLSNMSDXIYHJSZ-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@@H](CC2(CCC)CC2)C1	2018970422	PDJMNFWWJLEAKW-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)C[C@H]1CCC[C@@H](C)C1	2019161362	NAWPJIYCYHIKEH-ILXRZTDVSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@H]1CCC[C@@H]1C	2019192322	JKJLXHSBZRUUBQ-HRCADAONSA-N	239.447	4.571	0	10	BJAE	
CC=C(CC)[C@@](O)(CC)C1CCC(C)(C)CC1	2020971141	HJGVIEDCISLFGT-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCc1cc2cccc(C3CCC3)c2nc1Cl	2021028253	OQDBCVHHUCZFTH-UHFFFAOYSA-N	245.753	4.718	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC[C@H](C(C)C)C1	2025635846	XTTPEWNTLIYDMK-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](C)Cc1csc(-c2ccc(F)cc2)n1	2026531535	OIZKBROZBYRGJS-SNVBAGLBSA-N	249.354	4.538	0	10	BJAE	
Cc1cc(C)cc(C(=O)C2(C)C(C)(C)C2(C)C)c1	2027151273	VEJRYLALIGHGOY-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
C[C@H](c1ccccc1)N(C)CCC[C@H]1CC1(C)C	2027836862	MSUAUCUAUALYPO-ZBFHGGJFSA-N	245.410	4.506	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1CC1(C)C)c1ccoc1	2027854498	FRRPMUOCROBHAM-CABCVRRESA-N	249.398	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)c1ccc(C2CC2)cc1	2028598774	UQSRQMLQQUSIGR-WBMJQRKESA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)C[C@@H]1CCCC[C@H]31	2034144477	ITOPRQFSPJNLFL-STQMWFEESA-N	239.362	4.615	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@@H]2CC23CCCC3)C1	2036098873	BCAIPXZFQXJQBJ-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)[C@@H](C)CC(C)C)cc1	2036386551	YLPTVMBENPRXBS-ARFHVFGLSA-N	247.426	4.716	0	10	BJAE	
C[C@H]1C[C@@H](n2ccnc2C2CCCC2)CC[C@H]1C	2036775400	DUOBMHFWROPVLU-IPYPFGDCSA-N	246.398	4.538	0	10	BJAE	
C1CCCCC(N[C@H]2CCC3(CC3)C2)CCCC1	2038585034	ZVQUCRAQGTUANZ-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC[C@@H]2CC23CCCCC3)CC1	2039057609	GPKGGUTVHRCUJF-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)[C@H]2CCC[C@H](C)CC2)c1C	2039374281	KSHYMHJSRXWOLI-WFASDCNBSA-N	244.378	4.703	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@H]2C(C)=CCC[C@@H]2C)C1	2039437200	RSDYSGQUVJRHGW-NNXHMXCWSA-N	249.442	4.523	0	10	BJAE	
CCC(C)(C)C[C@H](N)C1CC2(C1)CC1(CCC1)C2	2039461609	HZNIOVOCMSILNK-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(CC)c(C(=O)C2(CC)CCC2)c1	2039735848	XFSROKMFJIYWPQ-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@]23CCCC[C@@H]2CCC3)C1	2040147704	YNFLPWKFXDBSIW-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC(C)C(=CC12CCC(CC1)C2)CNC(C)(C)C	2041243847	VYZUVSYIBZYGPP-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H]1C)C1(C)CC=CC1	2042022258	PEFFMUKAEJNNAN-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@H]2CCCC23CCC3)C1	2045449346	AVCTZSPBSYSIJX-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(F)cc1C(=O)[C@H]1CCCC(C)(C)C1	2045450477	PGADMRQTJLAERA-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CC1(c2ccc(C(=O)CCCC3CC3)cc2)CC1	2045609978	NOATUASIPLUHQT-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CC12CCCC2)C1CCCC1	2047060095	VBUJJXSWHGWYSJ-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@@H]2CC23CCCCC3)C1	2047062671	PMCSVYGFCJXILM-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047424130	HZBQYDFVJPRMJH-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC1CC(CC(=O)[C@@H]2C[C@H]3CCCCCC[C@@H]32)C1	2047424601	MSBCOAKKWAVOAW-MTERUZRBSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@H]1C(C)=CCC[C@H]1C	2048876922	KIPWZJFMHORCEH-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2049212044	OTNWDIWZPUTQLF-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1CCC2(CC2)C1)C1CCCCCCC1	2049954770	PAKVMDCUHFUVQZ-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC(C)(C)C1)[C@]1(C)C=CCC1	2049999168	BCDIUKVCZCJSJW-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1(C)CCCCC1)c1ccco1	2050526306	WUHODHGSKPQWFY-AWEZNQCLSA-N	249.398	4.681	0	10	BJAE	
CC1(C)CCC[C@H](N2CCCC[C@@H]2C2CCC2)C1	2051667381	BNJNHBIPNIZYMJ-JKSUJKDBSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1N[C@H](CC)c1ccccc1	2053263432	AOUXRGYEZDPCMP-UAGQMJEPSA-N	245.410	4.696	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cnccc1C(C)C	2053856389	MCKSEURBSLBISD-ZFWWWQNUSA-N	246.398	4.586	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@H](CCC2=CCCCC2)C1	2055018046	PTGISHLWZKHPSU-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](N[C@H]1CCCC(C)=C1C)c1ccccc1	2055538269	APKYAUSUXRKAOT-IRXDYDNUSA-N	243.394	4.616	0	10	BJAE	
CCC[C@H](N[C@H]1C=CCCC1(C)C)C1CCCC1	2055540774	IARXQBPQVRIDGB-HOTGVXAUSA-N	249.442	4.680	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCC[C@H](C(C)C)CC2)CCC1	2055550754	UXOBNVCAJTWBGI-GVDBMIGSSA-N	249.442	4.680	0	10	BJAE	
Cc1cc(C)c([C@H](O)C=C2CCCCC2)c(C)c1	2056862310	HNIGPOQXLBJMGD-MRXNPFEDSA-N	244.378	4.536	0	10	BJAE	
CC=CCCC[C@](N)(CC)c1ccc(CC)cc1	2059195756	LIPXOBCDSYTATE-QGZVFWFLSA-N	245.410	4.559	0	10	BJAE	
CC[C@](C)(Nc1ccc2ccccc2c1)C(F)F	2059377869	HMSBUIIOTSUWLI-HNNXBMFYSA-N	249.304	4.686	0	10	BJAE	
CCCN[C@@H](CC1CC1)C1=CC[C@@H](C(C)C)CC1	2061088504	NHQKCDRAYRQCNQ-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)[C@@H]1CC[C@H](C)C1	2061098417	JBKWVZCIWKDZDQ-XJNFMUPTSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC([C@H](N)C2=CC[C@H](C(C)C)CC2)C1	2061149165	AQDMVZLKWPOCMX-MHABSNSOSA-N	249.442	4.523	0	10	BJAE	
O[C@H](CCC1CCCCC1)CC1CC(=C2CC2)C1	2061684053	AHVUNLFZLOCKKF-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CC12CCC(CC1)CC2	2065334915	JTMPCAYDCJQVFG-ODZFXCKXSA-N	249.442	4.645	0	10	BJAE	
CCN(CCC(C(C)C)C(C)C)c1ccccc1	2068996836	FZAOHLOYVXBPSM-UHFFFAOYSA-N	247.426	4.831	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@@H]2CC23CCC3)CCCC1	2069196464	HXGWYLGMERBNOL-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C1(CC2CCC2)CC1	2069564185	OERZJQUZCJZJCR-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@H](NC)C2(CC3CCC3)CC2)CCC1	2069565032	ZOMHRMAGBYKJNL-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NCC1(CC2CCC2)CC1)C1CCCCC1	2069580984	NTKBATCRUMYILL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCOc1ccc(NC[C@@H](CC)C(C)C)cc1	2070272129	QUEHTGFAIVTZQR-CQSZACIVSA-N	249.398	4.570	0	10	BJAE	
CCCN[C@H](C[C@@]12CCC[C@@H]1C2)C1(CC)CCC1	2070863749	CVUSFWJSCMCFKL-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@]1(C)C[C@@H]1C	2070969126	YLXCFCLPXKCKDU-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
COCc1cccc(CC[C@H]2C=CCCCC2)c1	2071399314	HQHZPLGBYWOIFL-HNNXBMFYSA-N	244.378	4.512	0	10	BJAE	
CCN[C@H](CC1CC=CC1)C1(C(C)(C)C)CCC1	2071930983	UCIAQEIMCNDTGB-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CC[C@H]2C[C@H]2C)c1C	2072078938	CAWOMFRXZUXCHK-DOMZBBRYSA-N	244.378	4.539	0	10	BJAE	
CCC1CCC(C[C@]2(N)CC[C@@H]3CCC[C@@H]32)CC1	2072805993	HTYNFWIXMUSOCK-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@]23CCCC[C@H]2C3)CC1	2072875513	OYPXHRYGSBTWRD-JKQORVJESA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@](N)(CC)Cc1cc(C)cc(C)c1	2073339162	DCMZHQQGJWXQLX-KRWDZBQOSA-N	247.426	4.534	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1CC(=C2CCC2)C1	2073353854	VDFYBHZCNNINFT-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC[C@H]1CC[C@@](CNC2CC2)(CC2(CC)CC2)C1	2074623232	GBSDMLOKHHEJBK-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)C1CCC2(CC1)CC2	2074648452	IYDCUQDOHORWCK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCCN(CCCc1ccccc1)[C@H](C)CC	2074921703	JGBVPZMSPPBLOI-MRXNPFEDSA-N	247.426	4.520	0	10	BJAE	
CN(CCC1=CCCCC1)C[C@]1(C)C=CCCC1	2075145436	HHGCISUAPIJLCW-QGZVFWFLSA-N	247.426	4.555	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2079493268	WMMKUHWLVXENIH-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H]2C[C@H]2C2CCCC2)c1	2079802758	LCWQUTHQOLRIIM-RDJZCZTQSA-N	244.378	4.509	0	10	BJAE	
CC1(C)CCC[C@@H](C=C2CCC[C@H](CCN)C2)C1	2082981454	DDTYTRDDBKCPKR-ZBFHGGJFSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cc(C)c(Cl)cc1F	2210736963	LHRDFYULXWFCPD-SCZZXKLOSA-N	243.753	4.634	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCCCCCC2CC2)C1	2213580198	KAZXNIVKFFJWGR-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc2c(ccn2CCCCC2CC2)c1	2214575536	ZCRJFIJOSAZCGE-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNCCCCCCC(C)C	2215313550	SZOJNGXUDCEJFT-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
Cc1ccccc1NCc1sc(C)c(C)c1C	2215533020	HYPBVVQNIALBDR-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CN[C@H](CCCCCCCC1CC1)C1CCC1	2216880178	RFKHIXPUKZFPNS-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCN1	2218353393	IDAWTLLEGYXBNV-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CC1(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCCC1	2218359236	PFKRQLDTDKSFKO-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1CC)[C@]1(C)C=CCCC1	2220878123	QIHTVNWTULVOGC-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1cccc(C2CCC2)c1	2220931977	HQMCOVHBWFKGBQ-XJKSGUPXSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2220959326	KJPBFZLNAODXON-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H]1CCC[C@@H]1CC1(C)CC2(CCC2)C1	2221040336	NUIWKVYENKIIKY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2C[C@H]3CC[C@H](C2)C3)C1	2221084438	UNLKCWLCNGMJDK-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CCC[C@@]1(CNC2CCC2)CCCCC12CCC2	2223541179	GHHNSTJKOKOQRH-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CCC2(C)C)CC=CCC1	2223543243	XRFQEKPEIIYKKK-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1cccc2ccoc12	2224166650	GOFXGAKZBIXBCQ-HNNXBMFYSA-N	245.366	4.649	0	10	BJAE	
CCCCc1ccc([C@H](O)C[C@H](C)CC)s1	2242605036	NTKJJYIQBDFENF-DGCLKSJQSA-N	240.412	4.560	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C[C@H]1CCCCC12CC2	2246614774	ODYXAVALKLXFPT-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2CCC2(C)C)C1	2246660809	TXZMLHNXWJADSH-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)CC[C@H]1CCC[C@@H](C)C1	2246662798	ICQNEWPGVMCORB-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CCC[C@](N)(CCCC[C@H]1C[C@@H]1C)C(C)(C)C	2247114920	TXTQDAGPJKQJCU-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C[C@@H]1CCC1(C)C	2247310598	MRTCDMXWJUXBIR-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H]1CCC12CCC2	2247435329	UCLKMIJAKQMFQL-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C[C@H]1CCCC12CC2)NCCC	2247605127	HFSIYWJFGIDCIP-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CCC(C(C)C)C(C)C	2250359031	QASIOBLTTJMWBB-GDBMZVCRSA-N	242.447	4.882	0	10	BJAE	
CCC[C@H](CC)C(=O)CC[C@@H]1CCCC12CC2	2250366966	NQOMSRQAPHXSSX-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC1CCC(C)(C)CC1	2250367838	QVJMKSREDVNYGJ-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@H](N)CC[C@@H](C)CCCC(C)C	2250479175	QSDYSEWJZDRCQT-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@]1(CO)CC1(C)C	2250487428	AVGYCTIOFDYVNG-ZBFHGGJFSA-N	240.431	4.638	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](C(=O)O)C(C)C	2250496504	SGPPRMFWNBJOLI-ZIAGYGMSSA-N	242.403	4.586	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@@H]1CC[C@H]1C	2250522323	GPAOJVNTSNIFLQ-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNC[C@@H](C)C(C)C	2250530900	WDXNVMFCPUCMCI-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1C(=O)C(C)(C)CCC1(C)C	2251710777	DCSNEZALNMIICR-STQMWFEESA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC[C@]1(N)CC[C@@H]1CCCCC12CC2	2253823985	PLCUHQNQCHZYNT-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)CC2CC3(CCCC3)C2)C1	2254077044	QMKGRGIZQHXNKY-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@@H](C[C@@H](C)C(C)C)NC)cc1	2256291494	FLVCSIHUZKBION-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CC[C@H](NC[C@@]12CCCC[C@@H]1CC2)C1CCCC1	2260630943	ZIKCFGBTAWIGDD-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCCNCC1(C[C@]23CCC[C@H]2CC3)CCCC1	2260651318	KGACFUWGHCYGKU-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC[C@](N)(C[C@]12CCCC[C@@H]1CC2)[C@@H]1CC1(C)C	2260659772	ZALHDUHSEQHZMG-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(C[C@]23CCC[C@H]2C3)C1	2261386947	UQWJVYQORREPNF-IAOVAPTHSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCCc1ccc(OC)c2ccccc12	2263160785	UUXRKDYVNIZGDJ-UHFFFAOYSA-N	238.330	4.523	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@H](C)CC1CC1	2298915860	ORSVYECNBDMBCV-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1C[C@H]1C1CCCC1	2300703841	KVGJUYKUPVZUHJ-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CCC[C@@H](C(C)C)CC1	2300880604	LYFJFSNXGFEIPO-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC[C@@]1(C)CCN1CC=C(C)CCCC(C)C	2300888751	MRFSILNPIRACTC-INIZCTEOSA-N	237.431	4.633	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2301827642	CZOJSADTCGVZIQ-XPABHHOTSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)CCN(C)C[C@@H]1CCC(C)(C)C1	2302754863	DLQNKROTUJMPBW-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CC[C@H](C[C@@](C)(O)C2CCCCC2)C1	2302893151	SIGIBANGHIHFCF-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)C(=O)CC[C@H]1CC[C@@H]1C1CC1	2303147418	OAULIMYQXQMDGJ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CNC(C)(C)CC(C)C)CC1	2303593487	XKLVVTZYPGEKBL-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@](C)(O)C2(C)CCC2)C1	2304390293	KZXYXLVGNUYUOZ-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)CC[C@@H]1CCC(C)(C)C1	2304435108	HDZRSASIUDVZNW-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)CC1(O)CCC(C2CC2)CC1	2307837893	LIVJMBOFHVZGQC-IUDNXUCKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H]1CCCC2(CC2)C1	2307911746	XSIMEHCRUYMOJC-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CCC1CCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309181485	BBKDAYXWGHBJJO-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)C[C@@]23CCC[C@@H]2C3)C1(C)C	2310888285	VWAFBJYZLTWEAD-OMNBBPDLSA-N	248.410	4.598	0	10	BJAE	
C(CCCN[C@H]1C[C@@H]2CCC[C@@H]21)CCCC1CC1	2312600867	KXROXLXFVUKTSC-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2313322415	HHMYONVRBMZRSN-MPTYRVRUSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](C[C@@]23CCCC[C@@H]2CC3)CC1	2313323322	ZNBKOUHOPCVHAQ-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)C(CC1CC1)CC1CC1	2313596155	GKSHZORZAFSQNJ-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@H]1CCCC[C@H]1C(C)(C)C)C1CC1	2315266783	TYNXIFOELSFTDM-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@]12CCC[C@H]1C2	2315878830	YTPLIRZIWKXPFZ-RDJZCZTQSA-N	243.394	4.721	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CC[C@@H]1C1CC1	2315882792	IJZFPHQUNZPHPV-CVEARBPZSA-N	243.394	4.719	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@]2(C)C[C@@H]12	2317931730	LEWIWQSFFVDIEO-SQWLQELKSA-N	247.357	4.550	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C[C@@H]1C[C@H]1C1CCCC1	2318931416	CQZLPCQKFOYBSB-CRNXPOROSA-N	248.410	4.598	0	10	BJAE	
N[C@H]1CCCC[C@@H]1CCC1C[C@H]2CCC[C@H](C1)C2	2319001769	WCSNUUNMGXXFCL-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC[C@@H]1CC[C@@H]1C1CC1)CC1CCCC1	2319747363	FARYVXCSKYENIQ-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CC([C@H](N)C[C@@H]2CCC(C)=C(C)C2)C1	2320415839	DVXWRPXXZNZQRO-KZYLPZIUSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@H]1CCC(C)=C(C)C1	2320422690	IMFZMSBZAVBVJU-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CCC(C)(CC)[C@@H](N)Cc1cccc(C(C)C)c1	2320652668	BYBRZWRSBZWQMU-INIZCTEOSA-N	247.426	4.506	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)CCCCC23CC3)C1	2321650295	SRACEJYGUJHVJM-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC=C(C)C)c1cc(C)ccc1C(C)C	2327786772	NHJHVIGKPAYNEK-QGZVFWFLSA-N	245.410	4.735	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@H](C)c1ccccc1	2328283162	VHXBFKCCEWJPDK-GJZGRUSLSA-N	246.394	4.966	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1CC2(C1)CC21CCC1	2328293764	QGKDAMRHDBRGEH-UJEKJILKSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@](C)(O)c1cccc2ccccc12	4071977	YVKKGOOIWKCXON-QGZVFWFLSA-N	242.362	4.628	0	10	BJAE	
Cc1c2ccccc2c(C)c2sccc12	32249548	VFABQOLTPSBUSZ-UHFFFAOYSA-N	212.317	4.671	0	10	BJAE	
CCCCCCNc1ccc(N(CC)CC)cc1	58475950	VXUGVALAPFQELR-UHFFFAOYSA-N	248.414	4.525	0	10	BJAE	
CCCCC[C@H](NC)c1cccc2ccccc12	70941506	QGLGHQKNPZHEIV-KRWDZBQOSA-N	241.378	4.681	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](CC)CCC	71106266	VYEXPWBTHHGZLO-UONOGXRCSA-N	213.409	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)C1	85150678	LZEPHTDYDCQOAT-WCQYABFASA-N	238.758	4.688	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCC[C@H](C)CC1	86879674	AKRCYKDCUMVPSF-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H]1CC[C@H](C)C1	87991564	KHQULEJWVHCJOO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc([C@@H](CC)Nc2ccsc2)cc1	90866307	JXLCHWQWPCEULP-OAHLLOKOSA-N	245.391	4.874	0	10	BJAE	
CCC(CC)C1(CNCC(C)C)CCCCC1	94678100	YZNJIPNOQHIQHV-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc2c(c1)-c1cccc3cccc-2c13	95793213	IRQRKGIRFAUXIH-UHFFFAOYSA-N	216.283	4.796	0	10	BJAE	
C/C=C\C[C@H](CC)c1ccc(CC)s1	107544217	WYMORJKNQUXJHP-IBHLPDHGSA-N	208.370	4.770	0	10	BJAE	
CC/C=C\C[C@@H](C)c1ccc(OCC)cc1	107572074	MISULNWABCLLMY-FMFIFOJESA-N	218.340	4.545	0	10	BJAE	
C/C=C\C[C@@H](C)c1ccc(Cl)c(C)c1	107618949	PEGHLUSIGDGKBT-UMCURTJPSA-N	208.732	4.718	0	10	BJAE	
CC(C)CCCNC1CCC(C(C)(C)C)CC1	109921141	ZWDNQCNPTUTJSA-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](c1ccc(C)cc1)C1CC1	109946276	ZXMNLQIYVIBGRP-PBHICJAKSA-N	245.410	4.614	0	10	BJAE	
CCCC[C@@H](CC)CNc1cccc(CC)c1	110159031	NPANWWPMVDPDTL-OAHLLOKOSA-N	233.399	4.877	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc2ccccc2c1	110385200	VYYNUZGVMOICHR-OAHLLOKOSA-N	227.351	4.830	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1NC	110446126	KLIAYDQEELAQBS-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC1CCCCC1)NCC	125364157	VVLJJRCDZPKWKJ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CNC)C1CCCC1	128173242	AJSQTYMYXFGDBH-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@@H](C)NC1CCC2(CCCC2)CC1	129349509	BALAKHICBRXCTN-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](CCC(C)(C)C)NC	163375523	ZJAYMVYERSDHKX-CVEARBPZSA-N	247.426	4.595	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)CC1CCC1	167146709	STUZICPAGDPTOF-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCC[C@H](C(C)C)CC1	167645582	VTHRCBWZSXHFHI-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)CC1CCC1	225997436	MSWCIVWWXUYVAQ-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCC23CCCCC3)c1	230172863	OESNZRCSPJBWSI-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C(C)C)C2)c(F)c1	230987600	RFZBRLXKSUUWKP-KBPBESRZSA-N	249.373	4.761	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CCCC2(C)C)c1	232229846	RIGPPCPTRZWYSI-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc2ccc(C#N)c(C3CCCC3)c2c1	260489826	GRVCILUNHGXNBM-UHFFFAOYSA-N	235.330	4.678	0	10	BJAE	
CC(C)c1ccc(Cl)cc1C1(C#N)CCCC1	260493902	HXODQHNUIAORRE-UHFFFAOYSA-N	247.769	4.799	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCCC(C)(C)C	300912936	SGFZOLCUFXCTEH-UONOGXRCSA-N	228.420	4.780	0	10	BJAE	
CCCc1cccc([C@@H](O)[C@H](CC)CC(C)C)c1	308037621	VUSWYIPIAPYBKU-WBVHZDCISA-N	248.410	4.745	0	10	BJAE	
CCOP(CCCCCC(C)C)OCC	308779899	XRQSNWNHNUKGHA-UHFFFAOYSA-N	234.320	4.588	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCCC1(C)CCCC1	310158721	PHHKYDRPBQVPTL-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCCNCC1(C)CCCC1	310222634	GEUSVDPZAWLGKO-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)C)CC[C@@H](CC)C1	317091771	AJOVGBUQYDTTBZ-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCc1ccc(N[C@@H](CC)C2CCC2)cc1	322278497	NBTUMFGMFADGHJ-INIZCTEOSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H](/C=C(\C)C[C@@H]1CCCCN1)CC	382954275	UGIXZNDJKCWWJE-VSFMZDRDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCCC[C@@H]1C	384977920	JEFZCSGPUDDRGD-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H](C[C@H](C)c1ccccc1)C(C)(C)CC	385082717	FKGYHOPHRPCBKP-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)[C@H](C)CC(C)C	385355479	WYDARGJRFJGTEI-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CCCC[C@H](NCC)c1ccc2sccc2c1	386465363	SYXVJOPKFSXQLM-AWEZNQCLSA-N	247.407	4.742	0	10	BJAE	
CC[C@@H](NCC(CC)(CC)CC)C1CCCC1	391225056	ZADQKHFFSJFLNT-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)NCCC1CCCCCC1	394647815	XVBPYWAWSSFTEF-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CCCC12CCC2	394791929	XHOXJBYUGCOEEA-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CSc1cc2cc(C(F)F)c(C)cc2s1	396406285	MNPWFRBOGUQIPV-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@@H]1CC12CCCCC2	401543639	OEFSAQRVXXYIOQ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1	403619019	KLWJUFBJDHNZBT-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1nsc2ccccc12	687800796	JWVMZGHKASZMTK-LLVKDONJSA-N	248.395	4.533	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)c1cccc(C(C)C)c1	688952392	XBZLJGRPJUJDSI-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
CC(C)(C)c1cccc([C@@H](O)C2=CCCCC2)c1	691704348	RLMOAYOBYJTYQH-INIZCTEOSA-N	244.378	4.518	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@@]1(C)CC[C@H](C)C1(C)C	701225305	AIRNSNGLIKNCFV-HEHGZKQESA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC(C)(C)C1N[C@@H]1CCC12CCCC2	703922977	RZAWEHKFCAXWOE-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CCCC(C)(C)C	704902596	JEYXSDNGSATAOS-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CC(C)(C)C[C@H]1C	704947998	APMQEZQPVAGSNM-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@](N)(C1CCC1)C1CC1)C1CCCCC1	705391400	UAHABNZJFZRRTJ-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@H](C)CC(C)C	708269140	GYGYQOMBXBYAKM-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC)CCC[C@H](C)CC(C)(C)C	709188811	NZUOFQVAXMYTQS-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC(C)CC[C@@](C)(O)C[C@@H](C)CC(C)(C)C	709252210	YRDFLUSDSFCJSL-DZGCQCFKSA-N	228.420	4.636	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H](C)CC(C)C	709263146	VYKYDNOPSBNDJT-CQSZACIVSA-N	226.404	4.844	0	10	BJAE	
CC(C)(C)CCCC(=O)C12CCC(CC1)CC2	710307545	YFJGBOODUCMXCF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCc1ccc([C@H](C)Nc2csc(C)c2)cc1	710711315	PBBCEMLHWZTRGB-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)C(C)(C)C)c1ccccc1	710799749	NFFNDMMNPYDMDK-PBHICJAKSA-N	248.410	4.747	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccc(C2CCC2)cc1	711326913	KCUMMGYMUTUAFD-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
C=C/C=C/CC[C@H](C[C@@H](CC)C(C)(C)C)NC	713671348	BOBXCZGDDKWLEQ-SXKCSBRWSA-N	237.431	4.559	0	10	BJAE	
CC/C=C/C[C@H](CC)c1ccc(C)cc1F	714539864	GRFLOEHCRJQSRJ-YBJDMEARSA-N	220.331	4.984	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C[C@@H]1CC12CC2	723180687	BBMGGUYTJQXGBA-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCC(C)(C)C[C@@H]1C	1308921134	HPVLFOUZZQUYAA-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCN(C[C@H]1CCCC[C@@H]1C)c1ccccc1C	1559640691	BNVNNZGDTPLDDZ-GOEBONIOSA-N	245.410	4.648	0	10	BJAE	
CCC(CC)CN(CC)CCC(C)(C)C1CC1	1615123141	ONFFEXWTDGELLV-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](C)Sc1cc(C)c2ccccc2n1	1656069256	GGHYKZVUMYJLCE-GFCCVEGCSA-N	245.391	4.824	0	10	BJAE	
C[C@@H](CC1CCCC1)NC[C@@H]1CCC=CCCC1	1660872999	HGRWQFUUMJXWPP-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(CC(C)(C)C)cc(C)c1Cl	1889609530	KRWFOHJYGJIOQP-UHFFFAOYSA-N	210.748	4.545	0	10	BJAE	
C[C@H]1[C@H](C/C=C/c2ccccc2)CC1(C)C	1901826429	PIQJDFZZWIBABR-WOPSIANGSA-N	214.352	4.772	0	10	BJAE	
CC1CCC(c2nc([C@@H]3C[C@H]3C)cs2)CC1	1905258076	KNPMCHRWKWWKJK-RUJICJSRSA-N	235.396	4.560	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)CCCC(C)C	1905375651	YMWAXRUDLHWWJC-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CC1(C)CCCC1	1907594245	NQHBRYULOITNQI-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C1(C)CCCCCC1	1908591286	GKQOHMQIOHAJGX-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C[C@@H](C)CC(C)(C)C	1910807623	KOYYYNIKRWWZGU-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C)C[C@H](CCC=Cc1ccccc1)NC	1911849771	HZFGAIPHLVKTSY-WBVHZDCISA-N	245.410	4.504	0	10	BJAE	
CC(CO)=C1CCCCCCCCCCC1	1914073238	GQSSDGAIVLGMJY-UHFFFAOYSA-N	224.388	4.600	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@@H]1CCC2(CCCCC2)C1	1915863695	AQBGRPOEENKBMX-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC[C@](O)(c1ccc(C)cc1)C1CCCCCC1	1919880336	ATGUGLYIWIVBFE-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C1CC(CCC)C1	1921276230	FEQPDSADHMWHRF-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC(=O)c1ccccc1C1CC1	1926188753	GVJQGXGJRXELRP-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
FC1(F)CCCC[C@H]1CC[C@@H]1C=CCC1	1932592014	FIRALJVMJWDWAL-NEPJUHHUSA-N	214.299	4.558	0	10	BJAE	
CC1(c2cccc(-c3nc(Cl)cs3)c2)CC1	1936384736	UFOORXXQZWPDTD-UHFFFAOYSA-N	249.766	4.515	0	10	BJAE	
CCC(CC)C(=O)[C@H]1CCCC(C)(C)CC1	1939901426	ULSIARJFDQXOCK-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)CCCC(=O)C1(C)C(C)(C)C1(C)C	1940280731	UCILIPNAYSOGBH-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CN[C@H](CCC[C@H]1CC1(C)C)CCC(C)(C)C	1940872996	PQCAKLDEPFYPJQ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NCC)C1CCCCC1	1941264677	SOTDJENXLZBCFP-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CCC(C)=C(C)C)NC	1941267285	PYQQGVROUDLHKS-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CC(C)(C)CC[C@@H]1C	1942661027	VCYIMGSNQAIBCH-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@@](C)(CCC)[C@@H](C)CCC(C)C	1942661839	WYUPEUDKBGDZSD-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@]1(C)C=CCCC1	1943135396	JXSUKHIZIZDGNS-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)CCC1CCCCC1	1944789949	KTYYVVWBVHEUEB-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC[C@H]1Cn1ccc2cc(Cl)ccc21	1944799165	KAILBWPKJGEJLR-AAEUAGOBSA-N	247.769	4.731	0	10	BJAE	
Clc1ccc2c(ccn2C[C@@H]2C=CCCC2)c1	1947571110	VHPCVFPMQDNZQD-GFCCVEGCSA-N	245.753	4.651	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCC[C@@H]1CC1(C)C	1949051834	RPZSOAKXEYIXPW-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C(CC(=O)CC2CCCCC2)C1(C)C	1949918905	VFWKWXPQCADJRR-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@H]1C[C@H]2C[C@H]2C1	1950167424	HJZQFDVQLWJPLC-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)[C@H]1CCCC(C)(C)CC1	1950923246	SHRDQNDIRHZXAD-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C1(CC)CCC1	1951235165	PTEDSWDBLNBUOH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)C1(C)CC=CC1	1976652638	DNMRMHDUCJNJQA-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CCC1CCC1	1976922786	WEHISTPFTKNWGO-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(C(=O)CC(C)(C)C(C)C)c(C)s1	1978424041	YYGPUBLRXJVMOS-UHFFFAOYSA-N	238.396	4.620	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H]1CCCCCCC1=O	1980342222	QMLZSOKAIZONFH-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
F[C@@H]1CCCC[C@@H]1CC1CC(=C2CCC2)C1	1985530730	LTSCYBXNZQIOAP-UKRRQHHQSA-N	222.347	4.795	0	10	BJAE	
CCCc1ccc([C@H](O)C(C)(CC)CC)s1	1985603501	BQSUONIRZGMTCB-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
CCCC1(COc2ccc(Cl)cc2)CCC1	1988432384	FADLGHRPUKKGLN-UHFFFAOYSA-N	238.758	4.689	0	10	BJAE	
CCCC1(C[C@@](O)(CC)C(C)(C)C)CCC1	1988463745	HOPGCVCDZJELFN-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](CC)Nc1nc(C)c(C)s1	1990048962	JWLYHMWMOIPOQO-GFCCVEGCSA-N	240.416	4.531	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NC)c1cccs1	1995258269	CFCILHLCGXOKJL-OLZOCXBDSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)C(CC)CC	1995260548	WSGYPXBIKNEGFP-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](N[C@@H](C)C1(C)CCCCC1)C1CC1	1995985077	GFEURFMXQUNYCS-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CC[C@](N)(CC1CC(C(C)(C)C)C1)C(C)(C)C	1998242247	XOGZZFFITDOLNQ-ZUEPYMLJSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCC2(CCC2)C1	1998695785	KIXVRFKMFVZEFU-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CC)CCC[C@H]1CCC=CCCC1	1999991621	BMIIDMOIEKFZAM-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@@H](C)CC(C)C)C1	2000189721	BITAXSTZAHWNKJ-YDHLFZDLSA-N	236.399	4.620	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1C=CCCCC1	2000217650	AURLCFGBHMHMJG-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CCC[C@@](C)(CNCC)[C@H]1C=CCCCCC1	2000521088	QZXBOCOYPGCOOW-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CC12CCCC2)NC	2001211707	UEYSYSHHRDPZEJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@H]1CC12CCCCC2	2001264013	VYSMIDUNDHLTGG-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@]1(O)CCCCC12CCCCC2	2001600940	DQIDUEKAVLNHRI-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCC1CCC([C@@](C)(N)CC(C)(C)CC)CC1	2002927187	SPUFLLSMGGEPJL-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
N[C@@H]1CCCCCCC[C@@H]1CC1CCCCC1	2003118315	REEBMVWBURZMTR-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CCC2(CC2)C1)NCC	2003211139	KYYTVVOHQICKQA-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C=C(C)C)C1(C)CCCCCCC1	2004922452	HPPMEWCUBDEJSP-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC(C)([C@H](O)CCC2CCC2)CC1	2007690510	BDEDOUVNNUAKGO-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](NC)C1(C)CCC(C)CC1	2007692633	DRXOAVCPMMPJAS-OGVSOVDVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(C[C@@H]2CCCC[C@@H]2CC)CCCN1	2009059150	NBCPSAAAMSVMAE-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O	2009588411	JTQHHRGMSNHSTN-YVSHFGMPSA-N	238.415	4.556	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H](CC(C)C)C(C)C	2009616391	IOPQTLYSUWXCKA-KJMJWJSPSA-N	239.447	4.639	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCC[C@@H]2CCC)C1	2009715614	HLZWUCAHURNUJR-BHDPWAOGSA-N	237.431	4.514	0	10	BJAE	
C=C=CCC[C@H](C[C@H](CC)C(C)(C)C)NCC	2010985056	KTHDPDZUBSJEHK-LSDHHAIUSA-N	237.431	4.548	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011986322	MPDGQRRPAWNICU-QKDCVEJESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(NC2CC3(CC3)C2)cc1	2014301130	ZRPFBYUIDOUANP-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CC(C)C(CCOc1cccc(F)c1)C(C)C	2015386448	CNNHQHOSTFRBHC-UHFFFAOYSA-N	238.346	4.523	0	10	BJAE	
CCCC1(C[C@@H](O)C(C)(C)C2CCC2)CCC1	2015631522	GJYPIDSIZOUKQM-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](NCC)C2CCCC2)CCC1	2015642464	QOSDWKVKAZIYQC-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)CC(C)=C(C)C	2017462108	VKIILOZWACQXQG-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](C[C@H]1CC[C@H](C)CC1)NCCC	2017724144	WXWKUPGGBDLSPG-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC1(CC)CC(N)(C[C@H]2CC[C@H](C)CC2)C1	2017727526	AYZZRPLRTIZCKQ-HDJSIYSDSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C)[C@@H](N)C(C)C)CC1	2017735826	GKPCVLKKWWODIP-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)C[C@H]1CC[C@H](C)CC1	2017739929	XYMAWCHBIFUVEW-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)C(C)(C)C(F)F	2017793334	IJHBXZGROGNZEI-RISCZKNCSA-N	249.389	4.602	0	10	BJAE	
C[C@H]1CCC[C@@]1(C)NCC1(C)CCCCCC1	2017868664	NMYVWYHIAHFMIO-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1CCC[C@H](C)C1	2018128451	ARBVCOMZDFMKBF-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CC)CN(C)CCC[C@H]1C[C@@H]1C	2019195231	FYCGZQFFCXJEOI-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
CC[C@H]1CCC[C@H](N(C)CCCC(C)C)CC1	2019298804	CLIWUSMQFFEAIT-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
CC(C)CN(C[C@@H](C)C(C)C)C1CCCCC1	2020536087	RHMVBDRBWRCCAA-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
CC=C(CC)C[C@@H](CC1CCCCC1)NCC	2020976926	OWVJWJFVYRTCIC-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1C[C@@H]1C1CCCCC1	2022418277	VGFNNFHQKRKJDY-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CCC(=O)CC1CCCCC1	2022554582	PMPOKYGTUGLJQL-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1C[C@H]2CCC[C@H]1C2	2026244599	SATCKRJKSCCWMR-HUBLWGQQSA-N	249.785	4.639	0	10	BJAE	
C1=C[C@@H](NC2(C3CCCCC3)CC2)CCCCC1	2027377629	CSIHYHYWYPKOEH-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
C[C@@H]1CC=CC[C@]1(CN)CC1CCC(C)(C)CC1	2027924061	QXPYDFCEONXLMF-RHSMWYFYSA-N	249.442	4.524	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@H]1C[C@@H]2CCCC[C@H]21	2028873433	ZBCQFRQIESWLIF-ARFHVFGLSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@H]1CC[C@@H](F)C1	2032945679	WWSKRCIGEIFBCP-QWHCGFSZSA-N	248.341	4.521	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C1C[C@H]2CC[C@H](C1)C2	2033099817	NPJFGNSAEJNHBQ-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)[C@@H]1CCC(C)(C)C1	2033388161	PQMFCMBKTIOXFP-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@H]2N)CCCCC1	2034255534	CWYZCFYWYCBCNU-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1(C[C@H]2C=CCC2)CC[C@H](CC)C1	2035587465	DQDCDLCHYCWBCF-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)CCC1=CCCCC1	2037171278	FHUUPRONLCMPII-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
N[C@]1(CCC2=CCCCC2)CCCCC12CCC2	2037175096	VHOMCNQAUGHULJ-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@H]2CCC3(CCCC3)C2)C1	2037684259	YPRBWSKQZSUQID-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](NCC12CCC(CC1)C2)C1(C)CCCCC1	2039865510	PQYQIGJMDZEINA-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CNC[C@]1(CCCC2CC2)CC=CCC1	2042087038	MQVWUDGQMZLQEW-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
C1CCC(CCCN[C@H]2CCC3(CCC3)C2)CC1	2043609570	QRVWOLVVTPVQCZ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
O=C(CC1CC=CC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047427398	NXURUHSIKCZZRB-HRCADAONSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNC[C@@]2(C)CC=CCC2)CC1	2047726830	RCNWVLGNFZIGLM-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
O=C(CCC1CCCCC1)C1[C@@H]2CCCCC[C@@H]12	2048371774	RUQCXLOXZVRUHH-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC1[C@H]2CCCCC[C@H]12	2048389862	PQVIWYLAQBBAPG-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCC1CCCC1)CC1[C@H]2CCCCC[C@H]12	2048441866	RJUTVRXGJANKFN-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CC([C@@H]2c3ccccc3NC[C@H]2C)C1	2048633117	GMBOSZNQECLMSU-QROZZAMVSA-N	243.394	4.514	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CCC2=CCCCC2)C1	2049499401	UKLGXSCVLZQXBG-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CCC[C@](N)(CC1CCC2(CC1)CC2)C1CCC1	2049856247	OBUDZRLAACKZNM-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCC3(CC2)CC3)C(=O)C1	2049963438	MMZZWZYIDNIBKH-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H]([C@@H]1CCCC[C@H]1C)[C@@]1(C)C=CCC1	2049996582	HUXKCIGVVZEIGA-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
C[C@]1([C@@H](N)C[C@@H]2CCC=CCCC2)C=CCCC1	2050009127	LIAXNDYGCDGKHT-IKGGRYGDSA-N	247.426	4.587	0	10	BJAE	
Cc1ccccc1[C@H](N)CC[C@H]1C=CCCCC1	2050461200	RNDITHGIIZVHRA-DOTOQJQBSA-N	243.394	4.521	0	10	BJAE	
Cc1ccccc1[C@@H](N)C1(C)CCCCCCC1	2052474948	GBXLYBXYHKCXAK-MRXNPFEDSA-N	245.410	4.745	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(CN)CCCCC23CCC3)C1	2053412426	SKPXCXFIOIHCGN-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)[C@@H]1CCCCC12CCC2	2053412465	OZEVUUSHMDAERY-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@]1(C)C=CCCC1	2056875246	FCXIRTREADVEAF-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C1CC2(CCCC2)C1	2059180718	NDLVKJOOXHWNSW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@@]2(N)CCCC3(CCCCC3)C2)CC1	2059183786	NJSVGISZVMSXOP-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1CC[C@@H]2C[C@@H]12)NCCC	2059268221	WMNHOXMYWZAAKI-JVFQJLMCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCC1)C1=CCC(C)(C)CC1	2061089366	SLZARQKCSWMBES-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC=C([C@]2(N)CCC23CCCCC3)CC1	2061112034	BMBJWWHRGNYFAK-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H](N[C@H](C)C1CCCCC1)c1occc1C	2063679276	YBKBZSMWXRDUFG-UKRRQHHQSA-N	249.398	4.598	0	10	BJAE	
CC[C@H](CC1CC1)NCCC12CCC(CC1)CC2	2065257028	AFPMENHMNCBIGT-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC12CCC(CC1)CC2)C1CC1	2065339236	KKIBZGMHGMDURY-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2C[C@@H]3CC[C@H]3C2)C1	2068701422	DKNWZYZUJNAAQY-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CC(C)C(C=C1CCc2cc(N)ccc21)C(C)C	2069008184	NHZWICHRFSKKKN-UHFFFAOYSA-N	243.394	4.527	0	10	BJAE	
CC[C@@H](CC[C@H]1CCc2ccccc2N1)C(C)C	2070272975	LZOQDPQGUNIKCG-HOCLYGCPSA-N	245.410	4.876	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@]12CCC[C@@H]1C2	2070919839	ZBLJXGNUAHBVAF-WBVHZDCISA-N	244.378	4.687	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](NC)c2ccccc2)CC1	2072701200	VXLHDXQJCUOTBR-XIRDDKMYSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1	2072702887	SBZAYGBNEIXOKB-QXKUPLGCSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H](C)CC1)c1ccoc1	2072798279	IGRSNOQUHBNZLQ-IIAWOOMASA-N	249.398	4.537	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@]23CCCC[C@H]2C3)c1	2074050697	LHVZHSKSAMXXKZ-DOTOQJQBSA-N	242.362	4.538	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@@H]1CCCCC12CC2	2074796168	DVXIQKOXQUBSPZ-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC)([C@H]2C=CCCCC2)C1	2075365159	LNPHXZHIIKFACR-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@@H](CC)c1ccccc1	2077189979	NKSCGKMTPBLONQ-DLBZAZTESA-N	245.410	4.515	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C[C@H]1C1CCC1)C1CCCCC1	2079334611	XALUZTLJUYWHCL-MAZHCROVSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN[C@@H]1CCCC12CCCCC2	2079452130	VVUHLYBCUIVJKD-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)C[C@@H]1C[C@@H]1C1CCCCCC1	2079863654	KHMQOHHXCJCFSC-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)C[C@H]1C=CCC1	2084998845	SSAINVYXHUAKAD-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C)c1ccc([C@H](C)CC)cc1Cl	2210788189	QMTYOYJPKVTGCX-MNOVXSKESA-N	239.790	4.524	0	10	BJAE	
CCC1([C@@H](N)CCCCCCC2CC2)CCC1	2213577320	ASWSMDREBKJQPH-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)[C@H](C)C(C)C	2214572674	GHZCYXZMUMJLCH-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@H]1CC[C@@H]1C	2214927570	VTNQSKUQOFGBFP-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@@H]1CC1(C)C	2215000592	ZWNIOHUQKQZFNT-LBPRGKRZSA-N	247.769	4.649	0	10	BJAE	
CC(C)CC[C@@](C)(N)CC1(C)CC2(CCC2)C1	2215399886	AAPXMJOVFYJXHN-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C)(CCC(=O)CC2CCCC2)C1	2215431769	NJJDAGJZMLHBCU-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H](C)c2cccs2)CC1	2215824525	UGZUDWGFCUTVFT-HIFRSBDPSA-N	249.423	4.535	0	10	BJAE	
CC1(C[C@]2(N)CCC[C@H](C(C)(C)C)C2)CCC1	2216257475	LQBWLHOOEUZWSV-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1NCC[C@H]1CCCCCCCC1CC1	2216888597	ATPHPDKERQVHPS-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NCC1([C@H](C)CC)CCC=CCC1	2217156318	KEMABRHPUGQVAL-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
N[C@H](CCC1CCC2(CC1)CC2)C1CCCCC1	2220292121	VRMZTYQOPCEYNI-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2220962607	QHKZQBTWZCGUCS-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1(C)CC(C)(C)C1)[C@H](O)c1ccccc1	2221035590	SGICFEZOUXPZRU-ZFWWWQNUSA-N	246.394	4.573	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1ncccc1C1CC1	2221374114	IPFSUUYOOYGGOB-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@]1(C)CC=C(C)CC1	2221609717	MBJJANUVYUARTG-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC1=CC[C@](C)(CNCC2CCC(C)CC2)CC1	2221641954	ABENBLHBXSCTGT-PREGVCBESA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1C[C@@H]1C(=O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222950503	XNSVDKCSGYGOFY-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
C[C@]12CC[C@@H](NCCCCCCCC3CC3)[C@@H]1C2	2223118911	NOHBSVXOFHTQIH-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)C1[C@@H]2CCC[C@@H]12	2223123632	NGSWJVMQODDJJR-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@H]1CCC[C@H](C)C1)N2	2224126414	XEJIKPBFXBXUMF-RVSPLBMKSA-N	243.394	4.548	0	10	BJAE	
C[C@@H](C[C@@H](N)c1ccc2occc2c1)C(C)(C)C	2224154638	BNFLOXFHHCHEQJ-SMDDNHRTSA-N	245.366	4.505	0	10	BJAE	
CCC(C)(C)C[C@H](NC)c1cccc2ccoc12	2224181846	IXHOUEFKUXMZEV-AWEZNQCLSA-N	245.366	4.520	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@H](C)C(C)(C)C)C1	2246665696	LFYACRMUXXEJOU-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCCC[C@H]1C[C@H]1C	2247117933	UIDVBXVQYPCXPD-FZKCQIBNSA-N	240.431	4.780	0	10	BJAE	
O[C@@H](C=C1CCCCC1)c1csc(C2CC2)c1	2248054091	GQKZPJYPMXZFTC-AWEZNQCLSA-N	248.391	4.549	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C1CCCCC1	2248819314	JCDDZEHYHYRLKB-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)[C@](C)(N)CC[C@H](C)CCCC(C)C	2250473553	FCBQECLBACBXIQ-OWCLPIDISA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNc1ccccc1	2250489130	VOKXUKAHTWCZLU-OAHLLOKOSA-N	233.399	4.951	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNCCCC1CC1	2250490240	HCORNTSLZAABQE-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@](C)(N)c1ccc2ccsc2c1	2253128287	AAOHTVSINSABBH-HNNXBMFYSA-N	247.407	4.656	0	10	BJAE	
N[C@@H]1CCCCC[C@@H]1CC[C@@H]1CCCCC12CC2	2253820842	KWFGFIGBQRYJNZ-OWCLPIDISA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC2CC3(CCCC3)C2)CC1	2254071777	IMPLZOQRNNATGF-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(N[C@H](C)CC1CCCCC1)C2	2254219678	OKICBEBGNWJTAQ-FBZFNHGYSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C1CC2(CC(C)C2)C1	2254455764	VXVBUFGNJVCDFK-FGIFFFEVSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC[C@H]1CCCC12CC2)C[C@H]1CCCCN1	2255257813	GOEGCAPYGDPCRB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(CC(=O)CC[C@@H]2CCCC23CC3)C1	2255308049	GUTSNGQGCUXFIC-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CC[C@H]1CCCC12CC2)CC1=CCCCC1	2255328900	KKOPEQWMYURDNC-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CCc1cccc(F)c1N[C@H](CC)[C@@H]1CC1(C)C	2256141287	GDGDZYPKWFXYEU-GXTWGEPZSA-N	249.373	4.625	0	10	BJAE	
C[C@H](C[C@H](N)[C@]12CCC[C@H]1CC2)C1CCCCC1	2260502617	SNWADRBZWXXPMZ-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1OC[C@]12CCCC[C@@H]1CC2	2260648399	RSXYCRVTILKDHZ-NVXWUHKLSA-N	244.378	4.653	0	10	BJAE	
C[C@H](Nc1cccc(C2CCCC2)c1)[C@H]1C[C@H]1C	2260738088	PKLZUQVEHUYHRA-IGCXYCKISA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](N[C@H]2CCC3(CC3)C2)C1	2261402880	SZUNYZIVJMJUMC-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H]1C[C@H]1CCC	2297867200	COFJFVMSPZYPNG-KFWWJZLASA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C[C@@H]1C[C@H]1CC)NC	2297876257	KFGXZXSORCMXNY-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1C[C@@H]2CC[C@H]1C2	2298413247	GUERZPZOMWJWMC-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	2298413248	GUERZPZOMWJWMC-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C[C@@]12CCC[C@@H]1CC2	2298726854	LTBJYBRRURYJAY-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@]1(C)CC1(C)C	2300688629	OYZJYUAYVNQCAA-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)C1CC(C(C)(C)C)C1	2300704828	WSYIQLKCNYLCAW-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC=CC[C@@H](NCC)C(C)(C)C1CCCCC1	2300882740	XFTUPLXXBGTUSZ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@@H]1CC[C@@H](C)C1=O)CCCC(C)C	2300892660	GWYDHCLGIVWQFZ-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(N)[C@H](C)C[C@H]1C	2300992814	DLNHPGJIACOFKM-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1C[C@H](O)C[C@@H](CC2CCCCCC2)C1	2301237900	AVFJTYWGIRZCER-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@@H]2C[C@H]3CCC[C@H]32)n1	2302261880	GGLRIMKIEJTENY-DDHJBXDOSA-N	247.407	4.560	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CCCC[C@@H]2C[C@H]12	2302908462	UMHKFRRICICGQE-DYEKYZERSA-N	249.785	4.639	0	10	BJAE	
CCCC[C@H](C[C@@H]1CC[C@@H]1C(C)(C)C)NCC	2303511735	QGDCVHACLXIZSF-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)NC[C@H]1CCC(C)=C(C)C1	2303597005	LXCBDPIDCHOVNX-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCC(C)(C)C1)CC1CC1	2304435247	HPSGIWQXZLRACR-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C[C@H](C)CC(C)(C)C	2307896206	YQSPZMDOMSEKNS-KKUMJFAQSA-N	241.463	4.993	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(C)(C)CC[C@H]1N	2307905768	ZEVVWKXKTXRVDQ-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNCC)C=CCCC1	2307919949	LTKMHVNRHAVFAV-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CC=C([C@@H](N)[C@@]2(C)CC[C@@H](C)C2(C)C)CC1	2310334182	ZTGPGWSAHGCRKU-TZDHZFECSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CC[C@@]12CCC[C@@H]1C2	2310386850	ITMTWSJZKVTYOM-YLFCFFPRSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@](C)(O)c1ccc(C)cc1C	2316252972	QQDKTKDZPRJGHU-KRWDZBQOSA-N	248.410	4.727	0	10	BJAE	
CC(=CCN1CC[C@@H]2CC[C@@]21C)CCCC(C)C	2316514360	DAMSMPYYJCGGJR-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
CCCc1ccc([C@@](C)(O)CC=C(C)CC)cc1	2316531740	IRKNSUDOLSGASH-KRWDZBQOSA-N	246.394	4.593	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CCC[C@@H]2C[C@@H]21	2316536980	PLGRTNNVGWMLJC-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@]1(CNCC)C[C@H]2C=C[C@H]1CCC2	2316654029	QRXMFGAZWUSGAD-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C(=O)CCCC2=CCCCC2)c(C)o1	2318573365	QUBJPIGPMNRMQO-UHFFFAOYSA-N	246.350	4.750	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@@H]1C[C@@H]1C1CCCC1	2318943079	CQZLPCQKFOYBSB-DUFGSWQCSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(NCC[C@@H]2CC[C@H]2C2CC2)c1C	2319739408	TVDRHSGAMWQXBM-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@H]1CCC2(CC2)C1	2320218347	WPQBMWSILXYRGZ-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
C=C=CC[C@H](C[C@@H]1CC[C@@H]1C(C)(C)C)NCCC	2320256798	DOIJTLAUCZRBCB-XHSDSOJGSA-N	249.442	4.548	0	10	BJAE	
CC1=C(C)C[C@H](CNC[C@@H]2CCC[C@@H](C)C2)CC1	2320267210	CIUHRPKPQNGABV-KBRIMQKVSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC(C)=C(C)C1)C(C)(C)C1CC1	2320412739	PJHZIPGIABTXGU-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@@H](C)CC2CCC2)c1	2320525659	PRDPMCUUAFNPHB-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@H](C)C(C)(C)C)c1	2327708625	QOAHYTBRGSLPRV-XJKSGUPXSA-N	248.410	4.834	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2C[C@@H]2C(C)C)c1F	2327778330	OAMMWLWBZQLBRI-TZMCWYRMSA-N	249.373	4.653	0	10	BJAE	
Cc1ccc(N[C@H](C)c2ccccc2C)c(C)c1	20019557	XJZMWBYHAOBCOF-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CC(C)CCNc1ccccc1-c1ccccc1	21502845	YOAZBWKUVOODHN-UHFFFAOYSA-N	239.362	4.812	0	10	BJAE	
CN[C@H](CC1CCCCC1)c1ccc(C)c(C)c1	35457190	ORPGZCOFQXNELY-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@@H](c1c(C)c(C)cc(C)c1C)C(C)C	35581822	RCFLMJVZFVWROZ-QGZVFWFLSA-N	247.426	4.617	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)c1cccc(Cl)c1	37219239	AASDUKFPTJGBAI-NEPJUHHUSA-N	239.790	4.569	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)c1ccc(Cl)s1	37284602	IFDYEBBIPAABGH-UWVGGRQHSA-N	245.819	4.631	0	10	BJAE	
CC(C)(C)c1ccc(-c2ccc(Cl)nc2)cc1	41296794	RYNMCNYDIQWZQE-UHFFFAOYSA-N	245.753	4.700	0	10	BJAE	
CCc1cccc(C)c1NC(=N)C1CCCCC1	62988327	KJTPASCXOCLKNI-UHFFFAOYSA-N	244.382	4.527	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)c1ccsc1	71085206	APEAJJGWDQAUDI-JSGCOSHPSA-N	239.428	4.615	0	10	BJAE	
CCCCCCC1(CNCCC)CCCC1	82441798	AVZGPZAFCQXSAX-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
Cc1ccc(NC2C[C@H](C)C[C@@H](C)C2)cc1C	84462312	NHHBADNNBVKPCM-VXGBXAGGSA-N	231.383	4.540	0	10	BJAE	
CCC1CCC(Sc2ccc(C)cc2N)CC1	85075809	KHQBBXDTIAZJPH-UHFFFAOYSA-N	249.423	4.638	0	10	BJAE	
CC[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)C1	85150278	AGUBXDZYMSZYRD-SMDDNHRTSA-N	238.758	4.688	0	10	BJAE	
CCCC(=O)c1cc2c(C(C)C)ccc(C)c2o1	88071937	ZTWHYIMHNKAACO-UHFFFAOYSA-N	244.334	4.847	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Sc1cccc(C=O)c1	90870218	ZTINHZJFPFFTRJ-ZFWWWQNUSA-N	248.391	4.560	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCC[C@@H](C3CC3)C2)c1	91510739	WZXKQBOXAJHUIX-HIFRSBDPSA-N	247.357	4.515	0	10	BJAE	
CCCCC1CCC([C@]2(O)C[C@H]2CCC)CC1	92713236	WJQJPVSWTRKTDU-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H]1C[C@H](CCC)CC[C@@H]1NCCC	103949277	DMBRTXQAPZLCSU-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCCc1ccc([C@H](CC)C[C@H]2O[C@H]2C)cc1	107479153	JXBQXEZWHHGVCF-YSVLISHTSA-N	246.394	4.700	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1ccc(F)c(C)c1	107560550	ORXKWYOVEWIQQR-FMFIFOJESA-N	220.331	4.984	0	10	BJAE	
Cc1cc(C)c([C@H](C)NCCCC(C)C)cc1C	109920940	YTVOKOQGQYGOFF-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H](C)[C@@H](C)NC1CCC(C(C)(C)C)CC1	109927933	RQCQPTVZNJGOLK-LMRVLLHPSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](C)[C@H](C)NC1CCC(C(C)(C)C)CC1	109927937	RQCQPTVZNJGOLK-DNDYEEKYSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1cc(F)ccc1C	111746105	NHJHGJYOOGDLSF-GXTWGEPZSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@H](NCC(CC)CC)c1ccccc1	124824341	HBPNVHJGPQFQSG-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
Cc1cc(Cl)c(-c2ccc(N)c(C)c2)cc1C	128496808	FFHKABYFGRXSIV-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC(CC)CC)C1	129233069	UAHVHZDVWQSHRB-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCCC(CCC)[C@H](O)c1sccc1Cl	132981226	OQROKBWZFWXDNH-NSHDSACASA-N	246.803	4.651	0	10	BJAE	
CCCCCC[C@H](N)C1(CC(C)C)CCCC1	158425651	KSXXGAYCAFLUTH-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
NCC1(C[C@H]2C[C@H]3CC[C@@H]2C3)CCCCCCC1	158903096	CYQBROILKSFJQV-ARFHVFGLSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CCCC(C)C)CC1	165634688	AQSMTIZKRFAGFE-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@]1(O)CCCCC1(C)C	226875043	JYYOXSURTRCPMR-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCCC1CCC(CNC2CC2)(C2CC2)CC1	228814609	SPVRQEWKCKHROO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](C)[C@@H](O)c1ccccc1	229084873	KTQOCOCDZGTEKQ-MUIFIZLQSA-N	246.394	4.573	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cc(C)cc(Cl)c1	229271924	JQYYGGCUSYWETG-HZMBPMFUSA-N	240.774	4.508	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1)C1(CC)CCCC1	229302917	YAHNLSDSTPNPAV-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@H](C1CCC(C)CC1)CN2	232863622	OIXYMJWQFQKDQW-INORYPFCSA-N	243.394	4.639	0	10	BJAE	
CCC[C@H](C)C1(CO)CCC(C(C)(C)C)CC1	233327458	PFHVZPPUSWTOAX-HLIUYOAVSA-N	240.431	4.638	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)c1csc(Cl)c1	233347542	BYCRYMGBUTWHLA-KOLCDFICSA-N	245.819	4.631	0	10	BJAE	
CCCC[C@H](N[C@@H]1C[C@@H]1CCC)c1ccccc1	300593753	ZJACKNJSUBFQKR-YESZJQIVSA-N	245.410	4.696	0	10	BJAE	
CC(C)(C)CCC[C@@]1(N)CCCCC1(C)C	300790522	CHDGWRQYWGGCPY-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(NCCCC(C)(C)C)c(C)c1	300839148	JFJWDARFMCLDFC-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1coc2ccccc12	302343310	VHGHCINBPSODOS-CQSZACIVSA-N	246.350	4.683	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@@H]1CCCC1(C)C	302351507	WOQSWWIGXPHIQZ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](CNC(C)C)CC(C)C	302441619	WKTGNDRRNFFTKP-HZPDHXFCSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(CCC2CCCC2)C1	305896931	NFPGXCZEFPWGNO-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@@H](CCCC(C)(C)C)NC)CCCC1	305930091	OMLXXZQTLUJIFJ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)C[C@H](C)CC(C)(C)C1	306010792	WSTJVCPGRUCMPN-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C1=CCCCCC1	308076480	KURQVDVYVMXGPE-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1ccsc1C	309397684	INSQUSXYCNIDST-TZMCWYRMSA-N	240.412	4.696	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@H](C)CC(C)C	309995377	SHWNDBGPMSNVCC-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@](O)(C[C@H](C)C2CCCCC2)C1	310462359	FRDADRMVQIQSBH-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)C2CCCCCC2)C1	310556597	YPHKZIRLRIEXJB-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C(C)(C)C(C)(C)C	311073676	MRIZPKPKIZHTPP-HNNXBMFYSA-N	247.426	4.800	0	10	BJAE	
CC1(C)CCC(CN[C@H]2C=CCCCCC2)CC1	311092395	ILRRCTSDEGQAPV-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC1(C[C@](C)(CC)CNCC(C)C)CCC1	317875181	GDHCSSNXXYZQTH-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)C1(CC)CC1	379746305	BVXVGBTXRXHSDA-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCC(=O)CCC(C)(C)C	383124027	JSZBHXDUZZCORE-UHFFFAOYSA-N	226.404	4.988	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC[C@@H](C)[C@H]1C	383259048	XLQAZRSZCDCQLZ-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@@H](O)C1(C)CCCCC1)c1ccccc1	384303957	KAYBTERFIPOHLW-GDBMZVCRSA-N	246.394	4.512	0	10	BJAE	
CC(C)(C)CC(=O)c1ccc2ccccc2c1F	386199879	LDKFBSBMTKOEMX-UHFFFAOYSA-N	244.309	4.598	0	10	BJAE	
CC(C)[C@@H](C)CNc1cccc2ccsc12	386266154	XLXOTBRAAJASKQ-NSHDSACASA-N	233.380	4.605	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)Nc2cscc2C)c1	387304302	KNDQUAUCUXFAHB-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CC(C)CCCCCSc1ccc(O)cc1	394810020	JTNWAJMBHFGOJZ-UHFFFAOYSA-N	238.396	4.701	0	10	BJAE	
CCC[C@@H](Nc1cc(F)ccc1C)[C@H]1CC1(C)C	397736256	GUPGXVAWVVCMSP-ZIAGYGMSSA-N	249.373	4.761	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@@H](C)CCC2CC2)c1	398028037	IFRHHJMVGLDEAC-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H](C)C2CCC2)C1	398673447	TVZCEMJXXWTZQV-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc([C@@H](N)CCC(C)(C)C2CC2)cc1C	405767716	YOVPYCIMMNUFPF-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
Cc1ccc(C(=O)CCC(C)(C)C2CC2)cc1C	405811563	LZZMKRNEZDNTKW-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC1(C)CC([C@H](O)c2ccccc2)CC(C)(C)C1	688339105	TYKGLIFTXWVEPQ-OAHLLOKOSA-N	246.394	4.573	0	10	BJAE	
C[C@H]1CCCCC[C@H]1N[C@H](C)CC1CCCC1	689807452	LGXNSANFXKUWHP-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
CC1(CNc2ccc(C3CC3)cc2)CCCC1	690120979	VHNRBMWOLHIZTD-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC[C@H]2C)c(F)c1	691084368	XAQNNMOAUPEAJA-TZMCWYRMSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](C)c1ccsc1CNCCC	693092123	RRWBNHJDDPVDHE-LBPRGKRZSA-N	239.428	4.541	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCC[C@@H](C)c1ccccc1	695098699	MYKORUXDURFRDQ-HUUCEWRRSA-N	247.426	4.595	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@@H]1CCCC2(CC2)C1	695955111	HZUPOSGTRQVAHX-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C1CCC(C)CC1	696250247	RTBCWUUHNTWVJW-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](N)CCCc1ccccc1	696591445	DSCZOLMMJIVILU-MRXNPFEDSA-N	247.426	4.553	0	10	BJAE	
CC(C)=CCCC(=O)c1cc(Cl)ccc1C	697830640	YJSGHEMUZRQXSO-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CC(C)=CCCc1ccc(F)c(C(F)(F)F)c1	698004291	RJBPPXVRTHVSHO-UHFFFAOYSA-N	246.247	4.743	0	10	BJAE	
CCC(C)(CC)C(=O)C1(CC(C)C)CCCC1	701376225	ARFRMLBTDASHCF-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCCCCC(N)(CC(C)C)CC(C)C	704895122	JNSKVBAAPSNJOB-UHFFFAOYSA-N	227.436	4.747	0	10	BJAE	
CCCN[C@H]([C@H](C)CC(C)(C)C)[C@H](C)C(C)C	708318989	QVUWLIJNIIVSKB-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CC(C)NC[C@@H](C)[C@@H](C)C[C@@H](C)CC(C)(C)C	709074326	BKOWUYROOQOADG-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H](C)CC(C)(C)C	709126580	JQZFLIKAGXMUHD-DZGCQCFKSA-N	241.463	4.993	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(O)CC1CCCC1	709162762	IEGVSYIIXCIDEM-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCCC1(N[C@H](C)[C@]23CCCC[C@H]2C3)CCCC1	709164856	LIPJWZATEVPYHF-HLLBOEOZSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(O)CC2CCCCC2)C1	709756655	PEPLGSBNCRRKBF-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC(C)C1CCC(O)(C[C@H](C)C(C)(C)C)CC1	710738937	ODIROAOXCIWDFP-HLIUYOAVSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C[C@@H](N)C12CCC(CC1)C2)C1CCCCC1	710979839	OHIYLHRVQZECKD-DKVOJFQGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)C[C@@H]3CCCC[C@H]32)CC1	712416369	NJLIMDRGZBWEMY-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)CC[C@@H]2C)c(C)c1	713056577	FPKFSGIOUPMIPH-BBRMVZONSA-N	245.410	4.930	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(CNC2CC2)CCC=CCC1	718082231	HYNNWDLPRVEADQ-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C[C@@H]2C[C@H]2CC)CC1	723080563	ZRIZOWODESVLQH-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)CC1CC(C)(C)C1	723576193	LXCYTGONWABBRV-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
Cc1sccc1-c1cc(C)c2ccccc2n1	1240499009	IRRGDSNMUUCLNF-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
Cc1ccc(S[C@@H]2CCC[C@@H](C)C2)cc1	1472938383	GIGDLBSHDJMMFY-TZMCWYRMSA-N	220.381	4.666	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC1CCC2(CCC2)CC1	1658550083	DXXFWYXTPSBZHM-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)C[C@@H]1C[C@H]1NC1CCCCCCC1	1665178846	GTEHPKJFEBLQMQ-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
COC[C@@H]1CC[C@H](CCCC(C)=C(C)C)C1	1895960037	HNISVRAZMHAHSB-LSDHHAIUSA-N	224.388	4.576	0	10	BJAE	
CC=CC[C@H](NCCC)C(CC)(CC)CC	1900843487	UEWPJJXKKOKFMB-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCC(C)=CCC(=O)c1cc(Cl)ccc1C	1900883446	QQPXVOGCJKVDJJ-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCC(C)=CCC(=O)c1cc(C(F)F)cs1	1900912337	QDDFVPQQTPEGHC-UHFFFAOYSA-N	244.306	4.615	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(CC)(CC)CNC(C)(C)C	1906231730	HCWBGXDMTRNMIK-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)C)CCC[C@@H]1C[C@@H]1C	1908569517	CCXKXNDUZPZAMV-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)CC(CC)CC	1908570927	GPXUWNPTKAUJKJ-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)C1CCCCCCC1	1908582022	HIVPOJIIQFHBEH-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC(=CCCNC(C)C)C[C@@H]1CC2CCC1CC2	1911961686	ASOCTJWXMOPOKJ-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCC(F)(F)C[C@@H]1CCCCCCCCC1=O	1913425753	HNMHEKRYJPCBEM-LBPRGKRZSA-N	246.341	4.742	0	10	BJAE	
C1=C(CN[C@H]2CCC3(CCCCC3)C2)CCCC1	1915917518	OXZQISQTOQJTDA-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@@H]1CCCC[C@@H]1CC	1919962774	WAKOEKZURMPICS-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1CCC[C@@H](CC)C1	1920183367	UBBKCSBZLZEMDG-OAGGEKHMSA-N	239.447	4.891	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](N)(c1ccccc1)C(C)C	1920496928	OFYDASHOFZBURV-DOTOQJQBSA-N	247.426	4.569	0	10	BJAE	
CC1(C)C[C@@H]1CCNc1ccc(C2CCC2)cc1	1921559631	XXEBTIOAOJZIMB-HNNXBMFYSA-N	243.394	4.802	0	10	BJAE	
NC[C@@H]1CCCC2(CCC2)[C@H]1CCC1CCCC1	1924834144	AWRIBXIDJLDUND-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](C(=O)c1ccc(C)cc1Cl)C(C)C	1936210648	CHXINKDWUOQYHE-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
CCC[C@@H](NC)C1CCCCCCCCC1	1938719317	SHBFLPHAIQPZII-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)[C@H](C)CC(C)C	1939034867	AZKHZHCBODIMJN-UKRRQHHQSA-N	227.436	4.602	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@H](C)CC(C)C	1940415823	OTXWKJQKVSKSCN-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)[C@@H]1CCCC[C@H]1CC	1941263116	MNZOEAQKHMNMIT-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)CNCCC1CCCCCC1	1941357691	PICZFBVJFXOLOR-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@]12CCCC[C@@H]1CCC2	1944141751	JNZQQNASKZDLPE-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@]1(N)CCCCCC1(C)C	1944843785	UMCSVBUFWDKVAG-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C=C1CCNC[C@H]1CCC)CC	1944853175	ORMAGNWXRVLWRK-GOEBONIOSA-N	237.431	4.539	0	10	BJAE	
CC1(NCCCCCC2CC2)CCCCCC1	1945611152	WFLGAKVLEGCACV-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCCC(CCC)NC1C[C@@H]2CCCC[C@H]2C1	1946260707	WVVSVYCWQMASDZ-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C[C@H]1C=CCCC1	1947593264	PHUMKVLFQUTKGR-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1CC12CCCC2	1948139780	RXULBXVLUPDSGY-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	1948584376	DLCCPOPIIRDEDW-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCC(F)(F)CC)CC(C)C	1948849038	QGKIIBKYQWTJHB-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)N(CCC=C(C)C)Cc1ccccc1	1953230437	DYEQRIUUWDYKMK-INIZCTEOSA-N	245.410	4.643	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1N[C@H]1CCCCC12CCC2	1967799501	UTPHXKKTOMLNKN-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](C)CCCC(C)C	1968309708	NOZVFCZZYUTUBL-ZIAGYGMSSA-N	227.436	4.616	0	10	BJAE	
CCc1cc(NC2CC(C(C)(C)C)C2)ccc1C	1969682124	ZYTZDDNVUFZQJQ-UHFFFAOYSA-N	245.410	4.794	0	10	BJAE	
CC[C@H](CN[C@H](CC)C1CCCCC1)C(C)C	1973383106	BZNZQKHZRLXTDU-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC2(CCCCC2)C1)C1(C)CC1	1973862782	FZCOATLZFFMVEL-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
Cc1cscc1NCC1(C(C)(C)C)CCC1	1989463942	WNJWZBBZGNVQQF-UHFFFAOYSA-N	237.412	4.685	0	10	BJAE	
CCC[C@@H](O)CCCC1CCC(CC)CC1	1989808796	XYAGBXWHXGFWJH-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@](N)(CC)C1CCCCCC1	1990089501	IKPDKHBIOKCZQC-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCc1ccc2occ(C3CCCC3)c2c1	1995498164	KYYQHAAFWZGJDT-UHFFFAOYSA-N	214.308	4.653	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CCC2CCC2)CC1	1997112921	AFEFTQAFPMCXHH-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@@H](C)CC	1999990066	GWTYUURLQIREPP-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@H](C)C(C)(C)C)C1	2000169083	NPOYNWTZFNEVLL-FPMFFAJLSA-N	236.399	4.620	0	10	BJAE	
CN[C@H](CCCC(C)C)CCC[C@@H]1CC1(C)C	2000253798	MLFICRQNJKQLKO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CCCC1)C(CC)(CC)CC	2000375246	AHEOEEMWSXTGLU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC1(CC)CCN(C2CCCCCC2)CC1	2000903982	DHCOMSKIUPKHEX-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@@H]1CC12CCCCC2	2001224135	GJPDLLCJIIZXNH-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)C1[C@H]2CCCCC[C@H]12	2002151866	MULZWBHGMKZLCY-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CN[C@H]1CCCCCC[C@H]1CC1CCCCC1	2003097166	DOJVTRNNIFDMAJ-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H](NC1CCCCCCCC1)C1CC1	2003102564	YHZARGYAGCSWRS-MRXNPFEDSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)CN[C@H](C)[C@@H](C)CC(C)C	2004705651	IZSPTUMEANVHKS-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CN)CCCCC1(C)C	2005588297	CTLZYVHSAOIKFS-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](O)C[C@@H](CC)C1	2006634475	GSHDZVGPZTYKAZ-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@@H](C)CC(C)(C)C)CCC1	2006965534	ORPVZWZISBQREM-BLLLJJGKSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@@H](CCC)C1(C)CCC2(CC2)CC1	2007694301	HCQLNORHUPQGLL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNC1CCCCCCCC1	2011564661	XCEBPVZEIQVQTN-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC=C([C@@](N)(CC)CCC(C)C)CC1	2013295450	GCSNXCJVKSIYJK-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CC(C)NCC(C)(C)CCC(C(C)C)C(C)C	2015344822	MFRYZOSGIKWYAC-UHFFFAOYSA-N	241.463	4.719	0	10	BJAE	
CCC1(C[C@]2(O)CC(C)(C)CC[C@H]2C)CCC1	2015591293	FJKUGPWYZUPEIH-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@](CC)(CNC)C(C)C)CCC1	2015643972	IHTYDZMMMIJHOF-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1CCCCC1(C)C	2016150835	YJHRWNAIUKTDKE-HUUCEWRRSA-N	237.431	4.680	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)CC1(C(C)(C)C)CCC1	2017123772	CVQWCBDGYWSMFD-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@H](NC)C(C)=C(C)C)CC1	2017485480	FJVZNLXZJKDKLB-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](C)CC1)C(C)(C)CC	2017720919	JDOXIZXJEOQOTD-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@H](N)CC2CCC2)CC1	2017722147	DPRLVMALSGMSQF-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)C[C@H]1CC[C@H](C)CC1	2017724174	XBTRRVJGRABIOB-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CCC[C@H]1CC[C@H](C)CC1)NCC	2017739519	TYTMBIIGEWRXKO-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(CC(C)(C)CC(C)=O)CC1	2017776822	UWEPTEOXNOUIMA-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1CCC[C@@H](CC)C1	2018130900	QVPGNNRGGLVQEU-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCCC12CCC2	2018131253	SCAYMRLTGAOJOS-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
Cc1cccc(NC[C@]23CCCC[C@@H]2C3)c1Cl	2018586553	FIEVVGPZDCRPCZ-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(CC)[C@H](C)CC)CC1	2019478138	PJYQEYLPNYRXCA-BZUAXINKSA-N	239.447	4.713	0	10	BJAE	
CC(C)C(C)(C)c1nc(-c2ccccc2)cs1	2019510712	UGQVQVGQLDFBDU-UHFFFAOYSA-N	245.391	4.744	0	10	BJAE	
CC1(C)CCC[C@@H](CCC2CCCCC2)C1=O	2020393352	OUNFDQRZLCEGTC-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)CCC(C(C)C)C(C)C	2022416055	YYOCRIQUPFTQPU-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1C[C@@H]1C1CCCC1	2022454282	MVFOLMIUDOWLMA-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC(F)(F)CCCC[C@H]1CCCCCC[C@@H]1O	2023304732	AZGNALUEQPHOQB-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCN[C@@H](CC)CCC[C@H]1CCCC(C)(C)C1	2024091871	MDLYHSSSLLDPEZ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)c1ccc(C)cc1	2027731344	CCPQUANXKPKLGH-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
Cc1cccc([C@H](O)[C@@H](CC(C)C)C(C)C)c1C	2028234095	CISAHNGCBVQXCM-IRXDYDNUSA-N	248.410	4.655	0	10	BJAE	
CC[C@@H](C(=O)c1cc2cc(C)ccc2o1)C(C)C	2028256613	BAYBCNVQMAEKQW-CYBMUJFWSA-N	244.334	4.606	0	10	BJAE	
CC(C)CC[C@@](C)(N)c1cccc(C2CCC2)c1	2028558195	UUUXQKGQFGRJFV-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
Fc1cccc2c1ccn2CCCCCC1CC1	2028632776	BWEMLIIHSBYZPV-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2C[C@H]3CCCC[C@H]32)C1	2028786785	MXUDYFUJJCPCDU-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@](CNC)(CC2CCC=CCC2)C1	2028869903	LUVIOCODTIGDHC-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1(C[C@H](N)C2CC[C@H]3C[C@@H]3CC2)CCCCC1	2028964570	LKDCWNANMNTIRR-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](c1ccc(C)c(C)c1)[C@H](C)CCC(C)C	2029826225	SKSWMVNDMKBLNQ-RHSMWYFYSA-N	247.426	4.636	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)C[C@H]2C=CCCC2)[C@@H](N)C1	2035597801	HRXZCNWBGGBKBC-UGUYLWEFSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@H]1CC12CCCC2	2036100756	MUPJZNQWCKPRSB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1(N)CC(C2CCCCC2)C1)C1CCC1	2037162876	RWUUPULTUIKNSQ-NVPAJSRCSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]([C@@H]1CCC2(CCCC2)C1)C1(C)CCCC1	2037761426	HFPSQUKGLNKQLM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@H]1CCC(C)(C)[C@H](NCCC)C1	2037870393	JRGOZCKGPJVNRZ-JKSUJKDBSA-N	249.442	4.703	0	10	BJAE	
CC1CCC2(CC1)CC(NC1CCCCCC1)C2	2038934288	SNXFQYKESSUVAN-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC[C@]1(C)C[C@H]1NC1CC2(CCC(C)(C)CC2)C1	2038935634	VVUANKGHSXZVGY-GDBMZVCRSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](CNC[C@@H]2CC=CCC2)CC1	2039379452	ZRNBPEGRCCEPCP-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CN[C@H]1CCCCC1(C)C	2039451815	COFYRKPYVNOXFL-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@H](C)C12CCC(CC1)C2	2039865638	QOFLBBGBEAHPTB-UWEUSHKOSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C[C@@H](C)C1CCCCC1)[C@H]1CC=CCC1	2042030733	ONJRCLRHKVRJKV-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(N[C@@H](C)C2CC(C)(C)C2)ccc1C	2043546838	LDCGRNQVERQXFS-ZDUSSCGKSA-N	245.410	4.794	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)C[C@H]1CCC=CCCC1	2045317482	MDWCRWXOORPYKN-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@@H]1CC(C)=C[C@H](C)C1	2045780658	XDWCOXZSYIHZSQ-RRQGHBQHSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C2[C@@H]3CCCCC[C@@H]23)CC1	2049203159	MEXQHIUAJXQNGI-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CC[C@H](C)CC2)cc1C	2049637967	GRIKEIPKSCEXGH-FUKZOUPISA-N	244.378	4.621	0	10	BJAE	
CC1(C)CC(C[C@@H](N)CC2CCC3(CC2)CC3)C1	2049854009	GOYNQAWSMOMRFT-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(CC(=O)C2CC(CC3CC3)C2)CC1	2050215524	DGWTXKPPAJWQNI-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(CC(=O)c2cccc(C)c2)CC1	2050456690	UBWGXCBDXVCMEY-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC(=O)c2ccc(F)cc2)C1	2050494988	OPATVVNMEYYPTD-OLZOCXBDSA-N	248.341	4.615	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H]1CC[C@H]2C[C@H]2CC1	2051398447	AKBMPGXFXFKFMP-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1NC1CC(C)(C)CC(C)(C)C1	2055562260	DAAOMFHWYTYGCB-HIFRSBDPSA-N	249.442	4.536	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCC=C1C)c1ccccc1	2055670217	TWMZWOZTCCIAJB-DLBZAZTESA-N	243.394	4.616	0	10	BJAE	
CC1(C)CCC(C)(C(=O)CC2[C@@H]3CCC[C@@H]23)CC1	2056534839	UXOCDVPGWAUOBA-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2CC3(CCC(N)CC3)C2)C1	2056617693	VSLKLYBELCRLDM-PYIVJVRMSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C[C@H]2C[C@H](C)c3ccccc3N2)C1	2056642652	LFEVSOKWOFJEQW-VXGQWTEUSA-N	243.394	4.801	0	10	BJAE	
F[C@@H](CNc1cccc(C2CC2)c1)C1CCCC1	2058035507	LHVSTLBLEUWDKI-INIZCTEOSA-N	247.357	4.504	0	10	BJAE	
C/C=C/CCCNC[C@@H]1C[C@H]2CCCCCC[C@H]21	2059225857	SCQHNYSZPUYUTE-YEDUIURYSA-N	249.442	4.539	0	10	BJAE	
CN(CCC1(C)CC1)[C@@H]1CCC2(CCCCC2)C1	2059247313	ORIDTLRXIQUFSF-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1(C2CC2)CCCC1	2059267065	LMFMLUUJKDRABH-LLCTXKFZSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@]1(CC2CC(C3CCC3)C2)CCCN1	2059466695	KJDCPYPUWWZKAZ-BDVYOWHSSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)[C@H]1CCC[C@@H](C)C1	2061086786	AZCXQTICBKYMCG-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)C2(C)CC(C)(C)C2)CC1	2061114878	BXAVXXGNIYMFFV-UKRRQHHQSA-N	249.442	4.523	0	10	BJAE	
C1CCC(CCCNC2CC(=C3CCC3)C2)CC1	2061251641	ZZLQRCOKNQIYMT-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@@H]1CCCC(C)(C)C1	2061560464	GKINFMDREPBMQM-HZPDHXFCSA-N	249.442	4.692	0	10	BJAE	
NC1(CC[C@]23CCC[C@H]2C3)CCCCCCCC1	2061618686	WGZYIGYJJDRPRR-HOTGVXAUSA-N	249.442	4.789	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CC[C@@]23CCC[C@@H]2C3)CC1	2061626086	HXXDTDCSFMPZBM-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063500465	IHQPLUQNMGSHPB-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC12CCCC1CCC2	2063902930	LWCUINKWMYJYLU-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](N)CC12CCC(CC1)CC2	2065302592	JHFGLJXNNKWIRA-FDVNEVKMSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(N)cc1-c1cccc(C(C)C)c1	2065412349	LKFNTGFVKCGEFG-UHFFFAOYSA-N	239.362	4.622	0	10	BJAE	
C[C@@H]1CC[C@@H](C(N)(C2CCCC2)C2CCCC2)C1	2065937062	DBRZRTONVPXWQT-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)[C@@H]1CCC1(C)C	2068235637	GUOGFIAUTMKSGC-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@H](NC[C@H]1CCC=CCCC1)[C@@H]1CCC1(C)C	2068336012	AKHZYJBNXLQSPC-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
Cc1cc([C@H](N)C[C@H](C)C2CCCCC2)oc1C	2068908308	CNYSQJOWBYNDRY-SWLSCSKDSA-N	249.398	4.503	0	10	BJAE	
CCCC1(Cn2ccnc2C2CCCC2)CCC1	2069280936	QIIJXNXHBDBALJ-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
CC(C)(CNC1(CC2CC2)CCC1)C1CCCC1	2069494477	MMFVELMKXVPFMY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC2(CC3CC3)CCC2)CC1	2069505180	KCYOBJSZXORFGT-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(CN)CCCC23CC3)CCC1	2071946586	RKTPHMJUZASNLZ-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2072881058	DARXRDBKLJKAFI-KDQUWOQTSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CCC2=C(CCCC2)C1	2074900800	SVHOWPQPENZEQH-WMLDXEAASA-N	247.426	4.532	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCCC[C@@H]1C1CCC1	2074901291	XBGURSWKDOPFDA-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
CCC(C)(CC)CN(C)C[C@H](C)c1ccccc1	2075138387	LJVRBZNJQAYKAX-HNNXBMFYSA-N	247.426	4.548	0	10	BJAE	
CCCCc1ccc([C@H]2CCCCC(=O)C2)cc1	2077923959	OOGBAGTZRPOQAR-INIZCTEOSA-N	244.378	4.646	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H]2C[C@H]2C2CCCC2)C1	2079492215	PDEBOAGBXJRSFW-VRKREXBASA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H]1c2ccccc2NC[C@@H]1C	2079668926	DFUQSPXNXKKLJJ-NHIYQJMISA-N	243.394	4.658	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1COc1ccccc1C(C)(C)C	2079816399	XXTBZVPXWFOHDA-KBPBESRZSA-N	246.394	4.655	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2079838519	JWVXLYXHZMOISF-QKPAOTATSA-N	249.442	4.523	0	10	BJAE	
CC1CC(CC(=O)C[C@@H]2C[C@H]2C2CCCCC2)C1	2079841515	JHVJYMIJVNQXNP-SGALNCENSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)c1cccc([C@@H](CC)NCCC)c1	2084710332	RUZDFIBXSDDFMN-QGZVFWFLSA-N	245.410	4.951	0	10	BJAE	
CC(C)CC(=O)CCCCCCCC1CC1	2210526724	IPRVGZTZCNYOSQ-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC[C@](C)(CCC(C)C)CN[C@@H](C)CC	2212591906	GFBCAHMNFWEVFD-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
C=C=CCCCC1C[C@@H]2CCC[C@H](C1)C2(F)F	2213304308	VRXYNVSNBMFWEI-AGUYFDCRSA-N	240.337	4.959	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](N)CCCCCCC1CC1	2213576360	PACAUHYATIXUFO-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H]1C[C@@H](O)C1(C)CCCCCCC1	2214980937	LHEVBLXYUSAHEP-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)CCCCCC1(C)C	2215244406	GUCZROMWWBZEMS-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C1CCCCCCC1	2215335029	VFZFQSMBUORWTF-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC(C)c1ccccc1OCCCCC(F)F	2216501775	AJNCBJZGLUSBMP-UHFFFAOYSA-N	242.309	4.624	0	10	BJAE	
CCC[C@H](CNC1CCC1)C[C@@H](C)C(C)(C)C	2217132662	ZWQQXXFLFMWHOJ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218329938	FKGGCCOEWLEDSP-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218330335	HPSUEYDIQMMTKB-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C(=O)CC2C[C@H]3CCC[C@H](C2)C3)C1	2218333181	ONXJCJQXTAOFCV-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218355235	ZYKVZMYSTMRVJV-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C1[C@H]2CCCC[C@H]12	2218729887	FHONAKCDGBOBHX-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCC1CC1)[C@@H]1C[C@H]1C1CCCCC1	2220006398	PBJDJZAQTMYIMJ-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
CC1(CCNCC2(C)CC3(CCC3)C2)CCCC1	2221028474	QFHKBWFLLHRZSA-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CN[C@H](CC1CC(C)(C)C1)[C@]1(C)CC=C(C)CC1	2221615238	YMRGNWKIEHCJKN-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCC[C@H]2CC2(C)C)CC1	2221645385	XQUWIDDAJIQZEN-WMLDXEAASA-N	248.410	4.908	0	10	BJAE	
C(CCCN[C@]12CCCC[C@H]1C2)CCCC1CC1	2223153037	VXEYCQQKJBNOCU-IRXDYDNUSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CC[C@H]1CC1(C)C)N2	2224120060	HSLMJGJWFKOGRA-LSDHHAIUSA-N	243.394	4.548	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1ccc2occc2c1	2224145133	KGUIWLVLPLSCFE-GFCCVEGCSA-N	244.334	4.832	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCCC(=O)[C@@H]2C)C1	2246662370	GMMLASCZRCIHJH-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](O)C1CCCCC1	2248806636	GMMZKPZNCGHWKC-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](CC)c1ccccc1	2250387565	QBACRUSJVGBAAD-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CC(=CC[C@H](C)CCCC(C)C)[C@@H]1CCCN1	2250514067	LZOPVAVXSYHUFB-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(-c2nc([C@H]3CC3(C)C)cs2)cc1	2252753983	HFXKCMZNYQIXFX-GFCCVEGCSA-N	243.375	4.632	0	10	BJAE	
O[C@]1(CC2=CCCCC2)CCC[C@H]2CCCC[C@@H]21	2255050873	LZXWZXURUNNIQK-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@H](CC2=CCCCC2)C1	2255092226	SCRLNLVEAWGGOK-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C1(C)CCC(C)CC1	2255096942	NRTSDPBQIFUTRX-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](NCC[C@H]1CCCC12CC2)C1CCCC1	2255247311	QJEYSOGDBNRHLT-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1([C@H](N)CC[C@H]2CCCC23CC3)CC1	2255331856	OFCAFFLANBRSOD-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@@H](N)CCCC2CCC2)cc1	2256298597	SYOFEJUBXVTEDO-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCc1ccccc1NCCCCC[C@@H]1C[C@H]1C	2257320791	JJRUYKXJDQXCKF-GDBMZVCRSA-N	245.410	4.877	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1cc(C2CC2)ccc1F	2259129530	YJSKLMYUNUNARU-NSHDSACASA-N	249.373	4.940	0	10	BJAE	
CCN[C@H](C[C@@]12CCC[C@H]1CC2)C1CCCCC1	2260610285	VCRWXRLONFOMKV-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@@]12CCC[C@@H]1CC2)CC1CCCCC1	2260611781	WFJVPWYATQXWEK-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CN([C@@H]1C=CCCC1)[C@@H]1CC(C)(C)CCC1(C)C	2261448029	AETUKNKREKLCIH-HUUCEWRRSA-N	249.442	4.632	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@H](C)c1ccccc1	2263191938	RQNPEIWKSIECKG-MRXNPFEDSA-N	247.426	4.752	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1csc2ccccc12	2300875573	WUFLGDDFTKJQGU-CQSZACIVSA-N	245.391	4.648	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CCC[C@@H](C(C)(C)C)C1	2300902657	WZWFIJUPBUHUSK-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CNCC(C)(C)CCC=C(C)CCCC(C)C	2300918450	LKYQVHDSKMODEH-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CC[C@@H](C)NCC(C)(C)CC1CCCCCC1	2301239690	RWHLRDVBPZPTMN-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H](C)[C@@H](C)C(C)C	2301839912	KEJHYGOOHFMTOI-SQWLQELKSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@H]1CCC[C@@H]1C(C)C	2301954171	XKIONVRBSCNTTA-XQLPTFJDSA-N	238.415	4.556	0	10	BJAE	
CCC1(CC)CC(N(C)[C@@H](C)[C@H](C)C(C)C)C1	2301978415	OHKQCGZQXAKDBS-KGLIPLIRSA-N	239.447	4.568	0	10	BJAE	
CCc1cscc1N[C@H]1C[C@@H]2CCCC[C@@H]2C1	2302885401	ORPBVYYPORIUFJ-BTTYYORXSA-N	249.423	4.691	0	10	BJAE	
CCc1cscc1N[C@@H](CC)c1occc1C	2302887543	NZDBOOPLWDKKRO-LBPRGKRZSA-N	249.379	4.775	0	10	BJAE	
CCCC[C@H](C)c1nc([C@@]23CCC[C@H]2C3)cs1	2307699565	DAWFHPAKOVNNNV-SLEUVZQESA-N	249.423	4.878	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311611237	QNFSKLJUFVJBFS-FXUDXRNXSA-N	248.410	4.598	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@@H]2C[C@H]2C1)CCCC(C)C	2316568769	SKCVOXALGANJJK-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
O[C@@H](CC1CCCCCC1)C1CC(=C2CCC2)C1	2316863617	SOXXXOZPMCJXHJ-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CCC[C@H]1CC2)[C@H]1CC=CCC1	2316874505	RTLSPKHYBPHJNJ-YHUYYLMFSA-N	246.394	4.518	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1C[C@H]2C=C[C@H]1CCC2	2317118004	FIHSUWHCUWEAIU-FPCVCCKLSA-N	249.442	4.536	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](O)c1ccccc1C1CC1	2317821468	VVCXWGVPENIJRB-OGHNNQOOSA-N	246.394	4.526	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC(C)(C)C1)C1(C)CC=CC1	2319028169	APCQVIFHWNDZJA-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCc1occ(C)c1C(=O)C[C@H]1CCC(C)(C)C1	2319292656	IEMHVTDDXPGQIV-GFCCVEGCSA-N	248.366	4.550	0	10	BJAE	
CC[C@@H]1CCCCCN1C[C@@H]1CCC(C)=C(C)C1	2320400677	ZZDQTTFAZYXPNF-IAGOWNOFSA-N	249.442	4.778	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)c1cccc(C(C)C)c1	2320520876	LLVMNHRNCVWSJT-PBHICJAKSA-N	247.426	4.882	0	10	BJAE	
CCCC1(C(=O)Cc2cccc(C(C)C)c2)CC1	2320636209	LEVXPWNMKWMLTN-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC1(C)CC[C@@H](CCN[C@@H]2CCCCC23CC3)C1	2321599170	IJVPARQXBAMJFH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@@H]3CCC[C@H](C)C3)(C1)C2	2321639949	QCWLEMUDBKZYBK-HOBHPSKFSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc(C)cc1F	20371401	ZEJBVTYRXFQJDG-YPMHNXCESA-N	237.362	4.761	0	10	BJAE	
CCCN[C@@H](c1ccc(CCC)cc1)[C@H](C)CC	35582848	VRNXYGRZYPOFKH-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CC(C)c1cccc(-c2ccc([C@H](C)N)s2)c1	36927596	VQPYXGODHQQYKE-NSHDSACASA-N	245.391	4.558	0	10	BJAE	
CCC(CC)Nc1ccc([C@@H](C)CC)cc1	36953605	KSJIXKXVJLKLSO-LBPRGKRZSA-N	219.372	4.801	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(C)c(O)c1C	37130473	XJVXGEYVHYEYEA-SMDDNHRTSA-N	249.398	4.636	0	10	BJAE	
CCCCC[C@@H](O)c1cc(Cl)ccc1Cl	40260670	PBBDPSNMAVRJRX-GFCCVEGCSA-N	247.165	4.607	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccccc1CC	68985604	RTRQLTYHSZBSGT-CQSZACIVSA-N	219.372	4.630	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@@H](N)CCC	70741834	OKDAWULMBQRCGL-KGLIPLIRSA-N	213.409	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)c1cccs1	71084825	LDBQGZWYFMKKQG-GXTWGEPZSA-N	240.412	4.562	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@@H]1CCC[C@H](CC)C1	71157071	MYGKNINKYWNXJH-LZWOXQAQSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@H](C1CCC(CC)CC1)[C@H](C)CC	85081037	RWPLVDQYVCIWEL-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](CNC(C)(C)C)c1ccc(C)cc1	93190210	VKJHXFHKCOALLP-HOCLYGCPSA-N	247.426	4.513	0	10	BJAE	
CC1(C)CCC[C@H]1Nc1ccc2sccc2c1	94305165	NFBRADFSRXVXPC-CQSZACIVSA-N	245.391	4.892	0	10	BJAE	
Cc1cc(C)c([C@H](N)C2=CCCCCC2)c(C)c1	104012888	AFGMZYQLSZNPJR-QGZVFWFLSA-N	243.394	4.502	0	10	BJAE	
CCCNC[C@@H](C[C@@H](C)CCC)C1CCCC1	128233553	KBAPKVAYUKQCJU-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CC1CCCCC1)NCC	162109481	ZWEGPQAKSQRCPD-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)c1cccc(C)c1C	166917028	RMOYEUIGHWKABL-DJIMGWMZSA-N	245.410	4.520	0	10	BJAE	
O[C@H](C1CCCCCCC1)C1CCCCCC1	167722476	ROOXZIGGYAHLLE-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
N[C@@H](c1ccccc1C1CCC1)C1CCCCC1	169013029	LKTYOVUEPKZYHM-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CCCCCC[C@@H]1CCCC[C@H]1CNC1CC1	211931434	ZGHJDSASXNIOMD-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@H](C(=O)C[C@H](C)C(C)(C)C)C1CCCCC1	225691115	YLDYKUISLWEBNB-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cccc(Cl)c1C	229617067	DRGJXBXJBSSASU-BXUZGUMPSA-N	237.774	4.639	0	10	BJAE	
CCC[C@H](NCC)[C@@H]1CCC[C@@H](CC(C)C)C1	230794038	PFRONVIRJBDQSE-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCNc1c(Cl)cc(F)cc1Cl	232634041	YMFZLZNIWQXKCP-UHFFFAOYSA-N	248.128	4.511	0	10	BJAE	
CCC(C)(C)CN[C@H]1CCCC[C@@H]1C(C)(C)C	232999126	MFBLHFUYIBQUJT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H](C1=CCCCC1)[C@H](C)CCC	233087693	RHCSEODGJKACNY-ZBFHGGJFSA-N	237.431	4.539	0	10	BJAE	
CCCc1ccc([C@@H](N)C2(C)CCCCC2)cc1	233390698	IQTUZUVGLIZISS-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
Fc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1	252424584	IDWHVVXMTZEXCL-HEHGZKQESA-N	247.357	4.597	0	10	BJAE	
CC(=O)c1cccc([C@@H](C)C2CCCCC2)c1	258962272	RKXHEHDIRZSJIA-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CCCCC[C@H](C[C@@H](C)CC(C)C)NCC	300916052	MJZIPEVNFGOUGH-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(NC[C@@H](C)C(C)(C)C)c1Cl	304266943	JYPZWKBPVQNZNI-LLVKDONJSA-N	239.790	4.743	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1CCC1CCCCC1	305895085	DDGNGJHTWCQLCS-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H](C)CC(C)C)CC1	305911464	FSYGKGDUKLRYOX-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CSc1sc2c(S)cccc2c1Cl	306939157	NRNNNAFKITTWRE-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1cc(Cl)c(SC)c2sccc12	307468223	LXABZAXVUBAFOU-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC(C)(C)CCCCC[C@@H](N)c1ccccc1	309986624	WKYWNEMWHJLGMB-OAHLLOKOSA-N	233.399	4.683	0	10	BJAE	
Cc1[nH]c2c(C)cc(F)cc2c1CC(C)(C)C	310214139	HICAOTKSEAKDRV-UHFFFAOYSA-N	233.330	4.512	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1n1ccc2c(F)cccc21	310560752	YLYZXOBQHWTVKS-DOMZBBRYSA-N	245.341	4.922	0	10	BJAE	
Cc1ccccc1CC[C@@H](O)CCCC(C)(C)C	310579786	ZEDIGMOUZFKOHG-INIZCTEOSA-N	248.410	4.505	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C(C(C)C)C(C)C)c(C)c1	310615359	BKTIXPJVPSJZRW-KRWDZBQOSA-N	247.426	4.540	0	10	BJAE	
C[C@H](CC1=C[C@@H](N)CC(C)(C)C1)C1CCCCC1	310885825	SKUCIUOYYWZSLP-CZUORRHYSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@H](CC)c1nc2c([nH]1)CC[C@H](C)[C@H]2C	310943554	OXFOLPLAYRZPTP-XQQFMLRXSA-N	248.414	4.779	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CNC)CC=CCC1	317585102	NUCCVUUAAMLRPN-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCC1(CNCC(C)C)CCCCCCC1	318220633	FYXAORXLZHPFDA-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)[C@H](C)[C@@]1(O)CCC[C@H](C(C)(C)C)CC1	319338913	KTEKPCABWINELD-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CCC[C@@](O)(CC2CCC(C)(C)CC2)C1	379960188	KQACWSJUBBQUEY-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC[C@@H](C)C[C@@H]1C	383213330	CNWXSADBTLRUKY-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
Cc1cc(F)ccc1C(=O)CCC1=CCCCC1	384850635	LJQNWZZEHQZSML-UHFFFAOYSA-N	246.325	4.597	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CC2CCC1CC2	394353005	IELDXARCTLOOTI-PRLABOORSA-N	238.415	4.534	0	10	BJAE	
CC/C(=C/C1(C)CCCCCC1)CNC(C)C	394675148	RMPZUEIFXLLBGG-QINSGFPZSA-N	237.431	4.681	0	10	BJAE	
CSc1cc2sc(C(F)F)cc2cc1F	396238266	JWRAQPILSVEMOK-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1cc(C(F)F)c(S)c2ccsc12	396239984	KUBUKYANQNIABI-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CSc1cc(C)c(C(F)F)c2ccsc12	396406741	NPIVBUGALGUXMY-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCC[C@H](N[C@H]1C[C@]1(C)CC)c1ccccc1	397300012	KENAJNOBGUGTFB-ULQDDVLXSA-N	245.410	4.696	0	10	BJAE	
CCCCCC[C@H](CCC1CCC1)NCC	398626313	MLMPVZHUUZIGHW-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@@H](C)C(C)(C)C	399057768	BSLSWNOCITXTPO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@@H](C)C(C)(C)C	399102303	HYIGDXAEELJLGP-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@H]2CC=CCC2)cc1	402248226	NWDNKIUPKHGLJB-CQSZACIVSA-N	242.362	4.739	0	10	BJAE	
CC(C)(CC[C@@H](O)CCC1CCCC1)C1CC1	406026113	JXGHTAWUDJKNMS-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C2CCC3(CC2)CC3)C1	695669259	YQCIZHZGIISGNG-NHAGDIPZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC2CCC3(CC2)CC3)C1	695685410	XOUQGAPBPNCQPV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@]1(CNC2CC2)CCC[C@H](C)C1	698053922	JJVCSPYPKJCYCZ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	701308583	KQAWXHFKVNAHPS-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCCc1ccc(C)cc1Cl	704492078	SYDDEZFRNGYCAO-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@@H]1CCCC[C@@H]1C	704850051	GMHFIKPPEWNTLW-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCCC[C@H]1C1(CNC(C)(C)C)CC=CC1	704854503	KEHOEBADIIGJRL-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@@H]1CCCC[C@H]1C	705006990	SWMLTJPSTDTWCG-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@H](C)CC(C)C	708278987	APBFAVZYCLVBFZ-PBHICJAKSA-N	247.426	4.753	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)[C@@]12CCCC[C@@H]1C2	709076076	HRLILNGAQDDPJL-JJXSEGSLSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1cccc(C(C)C)c1	709076475	OURGCVDCZBMPKA-CYBMUJFWSA-N	232.367	4.675	0	10	BJAE	
CC(C)C[C@]1(C[C@H](C)CC(C)(C)C)CCCN1	709193558	WRGSDBAKDSIXPD-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CCC1CCCC1	709238098	UFIAWFILKRWUSF-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)C[C@@H](C[C@@H](C)c1ccccc1)NC	710178303	DIOBHCGPEUJDFF-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
CC(C)CCC[C@@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	710752686	JJHLMUZAHPYOSS-IIAWOOMASA-N	240.431	4.636	0	10	BJAE	
C=C/C=C\CC[C@]1(CNC(C)C)CC[C@@H](CC)C1	713723477	GCUKYSFEVUVESB-ZMJQMOPZSA-N	249.442	4.703	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@H]2CCCC[C@@H]21)C1CCCC1	714303359	IZPFGAUTNRBYMD-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@@H]2CC[C@H]3C[C@H]23)CC1	716833380	DGWAGXZMLWSRNW-OFQRWUPVSA-N	248.410	4.598	0	10	BJAE	
Cc1cscc1N[C@@H]1CCCCCC1(C)C	719191199	SKFWYBJLLMIDHB-CYBMUJFWSA-N	237.412	4.827	0	10	BJAE	
CC1(C)CC(CC2(CNC3CC3)CCCCC2)C1	723574750	UIZUHPZIPCDGBV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CSC[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	1559364103	RYRPOKJYPMOGBW-RBSFLKMASA-N	238.440	4.736	0	10	BJAE	
CC1(CN2CCCC3(CCCCC3)C2)CCCC1	1651994626	QHKMCBIRNSDQDT-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCC(C)=CCCCCCC(C)(F)F	1888060177	AUVHZEIKHZAPGV-UHFFFAOYSA-N	204.304	4.948	0	10	BJAE	
CCC(CC)C(=O)CC[C@@H]1CCC(C)(C)C1	1903429052	PQFSNNGCTRGRGX-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C=C(C)CNC(C)(C)C	1911894857	RFSDOAHKQNUBHM-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@H](NC)[C@H](CCC)CC(C)C	1911979772	LVMQCDJVIFLHHZ-CVEARBPZSA-N	237.431	4.559	0	10	BJAE	
CCCN[C@@H](CCC)C1CC2(CCCCC2)C1	1912693321	ASGSSRCHXLDBMJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C)c(NC2CC3(CCCCC3)C2)c1	1912710610	ZNAYTQQFSUJCMJ-UHFFFAOYSA-N	243.394	4.828	0	10	BJAE	
CCCCC[C@@H]1CCCCCCCC[C@@H]1N	1913403696	KPQOCABKVQZAQT-CABCVRRESA-N	225.420	4.645	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@H](C)CC1=O	1916085386	KHNIJRCNBRTYBR-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](N[C@@H]1CCC2(CCCC2)C1)c1cccs1	1916424837	YMUUNOZGOBRTIB-CHWSQXEVSA-N	249.423	4.512	0	10	BJAE	
CCc1ccc(N[C@H]2CC[C@@H]3C[C@@H]3C2)cc1Cl	1917329779	QQSGXXBZIAERNF-UPJWGTAASA-N	249.785	4.503	0	10	BJAE	
CCCC[C@@](N)(CC)c1cccc2ccccc12	1920137794	LFZGXEABRPHOLF-KRWDZBQOSA-N	241.378	4.594	0	10	BJAE	
CCCCCC[C@](C)(N)C1CCC(CC)CC1	1920183428	UPAOWOQFZVMVNI-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
CCCC1CC([C@@H](CC2CCC=CCC2)NC)C1	1921302061	LHSQHLNTHGHIJP-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
c1cn(CCCC2CCC2)c(C2CCCCC2)n1	1923588033	YLHBEXAGBUCPQG-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)CC1CC(C)C1	1925120629	UPQZLNYBAOKHMF-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
FC(F)=Cc1ccc(-c2ccc(F)cc2)s1	1927575676	PRAYCAMBUGGLKP-UHFFFAOYSA-N	240.249	4.792	0	10	BJAE	
Cc1cscc1NC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1937458446	YIXLAQAPRHMNLF-PJXYFTJBSA-N	237.412	4.541	0	10	BJAE	
CCCC(CCC)N[C@@H](C)[C@@H](C)CC(C)C	1939033556	INZUXPPAACCKQZ-KBPBESRZSA-N	227.436	4.616	0	10	BJAE	
CC[C@@H](CNCC(C)C)CC1(C)CCCCC1	1940405286	GWABJLVDITYEDT-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(NCCC[C@H]2CC2(C)C)cc1C	1940872298	LBDXZLKGPCXPJM-AWEZNQCLSA-N	231.383	4.542	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](CCCC2(C)CC2)C1	1940884676	ZBTBDPZJRWTBJX-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CN)CC=CC[C@@H]1C	1940947207	ILSBHPPDEDJMBM-JYJNAYRXSA-N	237.431	4.524	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](O)C1=CCCCCC1	1941253853	XMFGIPCDSSGJCA-CVEARBPZSA-N	238.415	4.556	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)CCCC1CCC1	1941464529	QQJNRJFKVYVICV-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCCCCC1CC1	1941581223	IIZGMBYAAYLJMB-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccc(C2CC2)cc1	1941960649	QGRNKRGHMZCKKH-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CCCC[C@H](NCC)[C@@]12CCCC[C@H]1CCC2	1944156875	UVXJCYAYVYDYIF-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C(=O)CC1C[C@@H](C)C[C@H](C)C1)C(C)C	1944203816	OTUBRWOVLKIRQJ-YDHLFZDLSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)CCC1CCCC1	1944639031	AUEXGDRSZZLXPA-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@H]1CC1(C)C	1944742709	XMEJTDSDILGWAS-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@@H]1CCC[C@H]1C	1944890091	GDKSLLFJWWEORQ-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)[C@@H](C)NC1(C2CCCCC2)CCC1	1945278810	OUDPSVLEJVODOU-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCCCC1(F)F	1947282316	LXICOYRWKBNAOZ-STQMWFEESA-N	247.373	4.513	0	10	BJAE	
CC1(c2cccc(C[C@@H]3C=CCCC3)c2)CC1	1947566644	YUGBYLBQYYPCOY-CQSZACIVSA-N	226.363	4.637	0	10	BJAE	
Cc1cccc(F)c1N[C@@H](C)[C@@H](C)CC(C)C	1948325311	GDFUQVSUCQKZFL-STQMWFEESA-N	237.362	4.617	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCCC[C@H]1C(C)(C)C	1949087913	JXYUTYOMVGUQOW-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)C=CCCC1(C)C	1949663479	WZABVUOKNQFWGU-CJNGLKHVSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](c1nc2c([nH]1)[C@@H](C)CC[C@@H]2C)C(C)C	1949750195	ZEGXYDWVNUPFAD-SRVKXCTJSA-N	234.387	4.560	0	10	BJAE	
N[C@H](CCCCCCC1CC1)CC1CCCC1	1949857076	IREVBOPAIYTMSJ-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)c1cc(C)cs1	1950211639	INPBBFCGWBTVEE-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
CCN[C@@H](C)c1ccc(C2=CCCCCC2)s1	1950560538	PJSFPHLOUZJARZ-LBPRGKRZSA-N	249.423	4.766	0	10	BJAE	
C[C@H](Nc1ccsc1)C1(C)CCCCC1	1957851632	UKQLZSHMQFWGMO-NSHDSACASA-N	223.385	4.519	0	10	BJAE	
Cc1cccc(C)c1OCC1[C@H]2CCCCC[C@H]12	1968271253	SHNRZCUQJVUFKT-GJZGRUSLSA-N	244.378	4.509	0	10	BJAE	
C[C@H]1CC[C@H](CNc2ccccc2C(C)(C)C)C1	1968320505	NJQKBCPVCNRICW-KBPBESRZSA-N	245.410	4.832	0	10	BJAE	
CC[C@H](N[C@H]1CCC2(CCC2)C1)C1CCCCC1	1969166361	DFMVLXCTSARGJE-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CC1(CNC2C[C@@H]3CCCCC[C@H]3C2)CCCC1	1969395446	LTRQZSFTRNDFKV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(CNC2C[C@H]3CCCCC[C@@H]3C2)CCCC1	1969395447	LTRQZSFTRNDFKV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(F)c1NCC1C[C@@H](C)C[C@H](C)C1	1969469203	XRVMGKDVLDUPHF-RYUDHWBXSA-N	249.373	4.618	0	10	BJAE	
CN(CCC1CCCC1)[C@@H]1CCC2(CCCC2)C1	1970735172	DIZMXEIXCSCANH-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@H]1NC1CC2(CCCC2)C1	1972922762	FEJHSWLDECHWBQ-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)CN1CCC(C)(C)CC(C)(C)C1	1973014180	KZZLLQBCMZNBPM-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](NC[C@@H](CC)C(C)C)c1ccccc1	1973383198	CVZCNUOAZPIMSI-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)C(CC)(CC)CC	1978562510	GTLDKCUULSNPPW-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](CC)(CNCC)CC(C)=CCl	1978640469	WTOWFTFYCMOIES-AWEZNQCLSA-N	245.838	4.715	0	10	BJAE	
C/C=C/CCCCc1ccccc1CCC	1984610267	LSIHBSAZXWPLEX-HWKANZROSA-N	216.368	4.928	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C2(C)CCCCC2)C1	1995985469	JPYCFXORJZACCH-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC1CCC([C@](C)(N)CCCC2CCC2)CC1	1996586422	POCNXCFVTFKXKC-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](CC(C)(C)C(C)C)NCC	1996611292	QQZNSQVLXZWEBV-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CCCC(C)C)CC1	1997117577	RYCLPDNELCDBAU-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CCCCCCC1(O)CC2(CCCCCC2)C1	2000670015	LJELNYHFOXMOGB-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)C[C@@H]1CC12CCCCC2	2001257478	XEVMLKNIRYSGCR-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC([C@](C)(O)C[C@H](C)CC)CC1	2002925796	UHECYFLYHHXHOS-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CN(C)[C@H](C)C1CCCC1)CC(C)(C)C	2002932107	JPZOMAICSSGWEA-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1CCCCCCCC1=O	2003075408	RKSWIZLQKRCTDI-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
NC1(CC2CCCCC2)CCCCCCCC1	2003100341	QTCRYJQWJYPKAR-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
Cc1ccc(C(=O)C[C@H](C)CCC(C)C)cc1	2003647800	YGEIIWUHXWEGIP-CQSZACIVSA-N	232.367	4.640	0	10	BJAE	
O=C(CC[C@@H]1[C@H]2CCCCC[C@H]21)c1cccs1	2003682446	XGBHTKUTUUOKKI-ITGUQSILSA-N	248.391	4.537	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCC[C@H](C)C2)CC1	2004341086	GZWPUCZYOOPNFM-JWMHWRSXSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)C2(C)CCC2)CC1	2004834641	OTZXYAKIUXDMHN-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)CCCC1CCC1	2005597960	UCGRFRODGYBWEP-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H]([C@H]2CCCC[C@@H]2CC)C1	2006672323	CQMFHHOBKHXCJV-AYDFFVQHSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CCCC1CCC1	2007622522	MMJZRFCWSOAJTP-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCNc1ccc2sncc2c1	2008084867	VGUGNIMMVOPJEX-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H]1CCC(C)(C)C1	2009599249	XEKCJQQOYSIWAA-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(C)(C(=O)CCC2(C)CC2)CC1	2009602819	HZPLLLOMZZUUTI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@](C)(N)CC1CC(=C2CC2)C1	2011048149	IQAOXZNSRAESIA-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCCC[C@@](C)(N)C1CC2(C1)CC(C)(C)C2	2012110288	GEQIOMQIEXXMCZ-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@@](C)(O)C2CCC(C)CC2)CCC1	2015584239	GFNLWRAWOZBFNY-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCC1CC(C)(C)C1	2016146598	YBGCFHFPLWBJRS-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@]1(CC(C)=C(C)C)CCCC[C@@H]1C	2017467479	WZMMDYMMIXLBHW-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](C)[C@H](CC)CC1CCC(CC)CC1	2017722280	PCIVFCVNCDHIPN-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCCC(=O)[C@H]2C)CC1	2017776969	XAFVEZBCGPELLB-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1[C@H](C)CC[C@H](C)[C@H]1C	2018074282	HMTWFMPYWLTIIB-CQJMVSDSSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2018131395	SMMBKMFWKJHBEC-QXSJWSMHSA-N	237.431	4.514	0	10	BJAE	
CC=C(CC)[C@H](NC)C1(CC(C)C)CCCC1	2020963525	BSVXRDDOBKSYSC-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(CC)(CC)CNC(C)C	2022502550	QQCIKEWPYGYOOY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1[C@@H](C)Nc1csc(C)c1	2023030595	QOHVPHDUABRIQJ-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CC(F)(F)CCCCC[C@H](O)CC1CCCC1	2023305514	VUQIWGIHFVVGIU-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2024091285	HAWXQMLAACEEHW-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)C[C@@H]1CCCC(C)(C)C1	2024124221	ORPATKCADUJPAR-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCCC1([C@@H](O)C[C@H]2CCCC(C)(C)C2)CC1	2024126943	ZKGBTUYXBFRLRR-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@](C)(O)C[C@H]1CCCC(C)(C)C1	2024128628	OAOCQPFEEYEYJA-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H]1CCC[C@@H](C)C1	2027030370	LHPPPPOMJRZJSR-IKGGRYGDSA-N	249.442	4.703	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CC3CCC2CC3)CCCCC1	2027312911	AKDFURXFKCPJPD-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(F)CNc1cccc(-c2ccccc2)c1	2027727523	BPWYZGZACCXRBV-UHFFFAOYSA-N	243.325	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@H]1CC2CCC1CC2	2027842064	FIILTCKXQVYVQT-PFSRBDOWSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1[C@@H](N)CC1(C)CCCC1	2027900950	FPMZOJMBSWHWQO-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
Cc1occc1C(=O)C1CCC(C(C)(C)C)CC1	2028125479	PVGHFXFVSURSEE-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CCCC[C@H]21	2028761410	FCJNSPNZJBHXAI-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@H]1C[C@H]2CCCC[C@H]21	2028873434	ZBCQFRQIESWLIF-BZUAXINKSA-N	246.394	4.518	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1ccccc1CC(C)C	2028923961	VLFQCCAFDZTSCY-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
CCCCC1(Nc2cc(C(C)(C)C)ccn2)CC1	2029492041	YAIMHLBPBSIMNL-UHFFFAOYSA-N	246.398	4.514	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCC1(C2CCCC2)CC1	2029738973	YMOJTRHEUMXZNH-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C1CCCC([C@@H]2CCN2CCCC2CCC2)CC1	2031757770	CRSXOBUUWOOGHM-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	2032305533	IVXXTDFEBWKVQI-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C)C(C)(C)C(C)C	2032347443	XDGDKSDMBCHGKW-MRXNPFEDSA-N	247.426	4.636	0	10	BJAE	
C[C@H]1CCCC[C@H]1N1CCCCC12CCCCC2	2032661815	OYMLRRLZUWEGIX-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC[C@H]1C(C)C	2035401775	ZMPZHORTUPMKKX-DOTOQJQBSA-N	245.410	4.876	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCCC[C@@H]1C[C@H]1C=CCC1	2035590613	KSMMEGQAGTXDOW-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@H]1CCCC1(C)C	2035594397	UCBLZYIYNYZRCZ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@H]1CC12CCCC2	2036105073	KFGQDBMIRSYDEE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC(C(=O)c2ccccc2C(C)C)C1	2036476665	JRMCGGWYVPZFAQ-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	2037171694	AQBNEHIAUVFPND-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC2CC3(CCC3)C2)C1	2038077569	ADVDXSSJLOTQMH-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC[C@H]1C=CCC1)CC1CCCCC1	2038164650	HTAFPDJZXIHXAN-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC2(CC([C@H](N)C3CCCCCC3)C2)C1	2039461649	ILSXAXYUEHXBGJ-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H](C1CCC1)C1CC1)C1(C)CCCCC1	2039873600	XXBKIPAIVNDABB-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](c1ccoc1)[C@H]1CCC[C@@H](CC)CC1	2041380904	WKZLABYSVUPNHI-YCPHGPKFSA-N	249.398	4.537	0	10	BJAE	
CC(C)(C)C1CC(N)([C@@H]2CCC3(CCCC3)C2)C1	2043006535	HKAURXMOMRLUPO-TUBUQKNSSA-N	249.442	4.501	0	10	BJAE	
CCNCC1(C[C@H]2CCC=CCCC2)CC(C)C1	2045325350	DQHWFHDQLAFOPP-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CC(C)C1(C(=O)c2ccc(C3CC3)cc2)CCC1	2045568652	ASNCJRYKECSWKX-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC1CCC([C@@H](N)C[C@@H]2CC23CCCCC3)CC1	2047016743	QSZVBFJWFXJLAT-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048366232	OPWVIDKYJULNDO-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C=C1CCC2(CCCN2)CC1)CC	2048949078	OXWXKKBBOSVOKO-MYJWUSKBSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)CC1(C)CCCC1	2049795526	TVGCXVRJNDMNLN-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@H](C)c2ccccc2)C1	2055123240	HZDRJFMYSFNHLU-KKUMJFAQSA-N	244.378	4.576	0	10	BJAE	
CN[C@@H]1C[C@H](C[C@@H]2CCC=CCCC2)CC[C@H]1C	2055584236	MAYJMBHUZUQKPU-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@@H](NC2CCC3(CCCCC3)CC2)CC1	2055848136	FVTJKRIQJXRXLI-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@H]2CCC[C@@H]2C(C)C)c1	2056449341	IONXAPZHHRWMGF-CABCVRRESA-N	244.378	4.558	0	10	BJAE	
CC1([C@@H](N)CC2CCCCC2)CCC2(CC2)CC1	2056556993	OPBLJQZXVUIQOV-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1CCC([C@](C)(N)C=C2CCCC2)CC1	2056907039	ILHQVZJJMGYLBW-OFLPRAFFSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C(=O)C1CC(C2CCC2)C1)C1CCCC1	2057491757	VOYMGTGQKCSOKL-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@]1(C[C@H]2CC23CCCCC3)CCCN1	2059467443	QNDQMJYJWFONFX-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(Cl)cc1Sc1ccccc1	2060343283	DFYWLEZPBBVKNK-UHFFFAOYSA-N	234.751	4.800	0	10	BJAE	
O=C(CCC1CCCCC1)CC1CC(=C2CC2)C1	2061696078	LQXLJMIHTYSHKC-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCCc2ccoc21	2062955418	DTOMAEUWNRZWCC-UKRRQHHQSA-N	249.398	4.606	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C12CCCC1CCC2	2063820658	BBTPGQHYRUVAQM-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)NCc1cc(C)cc(C)c1	2065990431	NOTWOEIENFHRCT-KRWDZBQOSA-N	247.426	4.608	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1cccc(C(C)C)n1	2066384649	FEAUFCONQRKFST-CYBMUJFWSA-N	247.382	4.604	0	10	BJAE	
CC=C=CCCN[C@H]1CCCC2(CCCCC2)C1	2067325636	LPHYACZDHFHTNL-LPEXUCKASA-N	247.426	4.590	0	10	BJAE	
CC=C=CCCN[C@H]1CCC[C@@H](C(C)(C)C)CC1	2067326096	UNUBEBQMFOZJPE-VPQXRAOGSA-N	249.442	4.692	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CCC2)[C@H]1CCC1(C)C	2068347502	BXNLSFPYKVPJHN-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC[C@H](C)CC1)C1CC=CC1	2072796397	OBEBCPQAZUKCGR-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(NC[C@]23CCCC[C@H]2C3)ccc1C	2074045580	FXDPCZSUICMPGR-DOTOQJQBSA-N	243.394	4.550	0	10	BJAE	
Cc1ccc2c(ccn2C[C@]23CCCC[C@H]2C3)c1	2074089851	GKUSWANOEDEACS-DOTOQJQBSA-N	239.362	4.530	0	10	BJAE	
CCCNC[C@]1(CC2(CC)CC2)CCC12CCC2	2074623801	KRBABOQYFXBEGY-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
C[C@H](N(C)[C@@H]1CCC12CCCCC2)C1(C)CCC1	2075013447	TYLLQQNGFPAWSX-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CCCCc1ccc(NCC(F)=C2CCC2)cc1	2081669227	ALCYZTJYDAKTBO-UHFFFAOYSA-N	247.357	4.849	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H]1CC2CCC1CC2	2081796334	SCBAKWBOSBTSDP-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]([C@H]1CCCC(C)(C)C1)N(C)CC=C1CCC1	2081796754	WHRBULULOZQERY-HOCLYGCPSA-N	249.442	4.633	0	10	BJAE	
CCc1cc(F)ccc1NC1CC2(CCCC2)C1	2081945718	YVMCEAZTBLDVBI-UHFFFAOYSA-N	247.357	4.523	0	10	BJAE	
CCC1CC(C[C@@H](CC2CCC=CCC2)NC)C1	2084998236	OIKVQAQAIOVNRF-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
C(CNc1ccc(-c2ccccc2)cc1)=C1CCC1	2136761906	UPBMUOMMUWYONF-UHFFFAOYSA-N	249.357	4.876	0	10	BJAE	
CC(C)=CCCNc1cc(C)c(Cl)cc1F	2210736873	AZRVXIDETHAMDW-UHFFFAOYSA-N	241.737	4.556	0	10	BJAE	
Cc1ccn([C@H]2CCC[C@H](C(C)(C)C)C2)c1	2212101182	RPXVKVAQHDCIQS-KBPBESRZSA-N	219.372	4.574	0	10	BJAE	
CCCC(CCC)CNCCCCCC1CC1	2213596897	XOUUSZJXEJLQHW-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CSc1ccc(CC=Cc2ccccc2)cc1	2213823467	TVLMWDBESBYGBJ-UHFFFAOYSA-N	240.371	4.664	0	10	BJAE	
CSc1ccc(C(=O)CCCCC2CC2)cc1	2214580987	JQJMBSIIXAQAAL-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H]2CC[C@@H]2C)CC1	2214947392	BJPOGKKAFPNVEI-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C(=O)CC1(C)CC2(CCC2)C1)C(C)(C)C	2215429051	FRCLYYWAHIHJIG-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](NCCC)[C@@]1(C)CC=C(C)CC1	2215813995	PRSDQAFJNMWYFO-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCNC[C@@]1(CC(C)(C)C)CC=C(C)CC1	2215831399	AGSJAZWXNKITBL-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)C(C)(C)CCC	2216284145	ZJEWDTNNDSBMPZ-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC(=O)CCC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216748005	SBDICKXBOJEHIS-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
O[C@]1(CCCCCCCC2CC2)C=CCCC1	2216900349	OKYCGLLMKKXPDV-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)C1CC2(CC2)C1	2218733456	VXOGJKXRNSFNTB-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C(CCCN1CCCC[C@@H]1C1CC1)CCC1CC1	2218750247	NVZQCFOBUNDFIV-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)C2CCC3(CC2)CC3)C1	2221018139	YHQXNPFPUFQGHV-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)c1c(C)cc(C)cc1C	2222001555	MSEFGWUKEAKLPW-PXAZEXFGSA-N	248.410	4.646	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@@H]2C=CCCCC2)C1	2222265330	ZVXHLCLDIVRASA-BZUAXINKSA-N	249.442	4.680	0	10	BJAE	
CCC1CC([C@]2(CN[C@H](C)CC)CC=CCC2)C1	2223603517	ZORCDGQUXARMEY-RDHHWEPZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCCC[C@@H]2O)C1	2246728471	SJXNFFKIZRMCEG-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2CCC2(C)C)C1	2247446043	GSMMXLFQRXKBQF-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2=CCCCC2)CC1	2247465380	YVGRLIVRRYXSMV-CTYIDZIISA-N	234.383	4.662	0	10	BJAE	
CC[C@@](N)(CC[C@@H]1CCCC12CC2)C(C)(C)C	2247598399	CEYXZPYPPIIZLP-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C(NC1CCCCCC1)C(C)(C)C	2247719300	UAEWYEQFVZXZMN-UHFFFAOYSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CCCCC[C@H]1C[C@H]1C	2248805185	FKDWVMNCZXTYHC-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1CCCCC[C@@H]1O	2248805511	HKDHXKUCSBVBHN-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1(C)CCCCC1)NC	2250352305	KXXUULTYWUPRHE-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(CC)c(C)c1	2250389273	HWXNCFHMUNPLKT-CQSZACIVSA-N	233.399	4.796	0	10	BJAE	
CCN[C@H](CC[C@@H](C)CCCC(C)C)C1CC1	2250469630	QPLHRCIBAYBCNJ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@]1(N)CC[C@@H](C)CCCC(C)C	2250518394	SALCMPFRCWPGSH-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@]12CCC[C@@H]1CC2	2251218317	SZDBUAJVQZUGCN-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](N)CCC1CC(CC(C)(C)C)C1	2251570058	FYNWHJRENSPAHY-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H]1C(=O)C(C)(C)CCC1(C)C	2251714359	WSEFAUSZZJVQNC-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
O[C@H](C=C1CCCCC1)C[C@@H]1CCCCC12CC2	2253783414	MXRJHLLGXHUGHC-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@](CN)(CC[C@H]2CCCCC23CC3)C1	2253837101	CPNZJEKWBYFBPG-BZUAXINKSA-N	249.442	4.502	0	10	BJAE	
Cc1cccc2c1N[C@@H](C[C@H](C)C1CCC1)CC2	2253867003	SEBIAFCLXYVUSK-XJKSGUPXSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2CCCC23CC3)C1	2253911537	SQZDOTDWHILEQG-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1CC12CCCCC2	2254593746	IUQQUWZPNAVXFP-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CC[C@@H]2CCC[C@@H]2N1	2257302398	VOBHLVBAAGAEBY-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CCC=Cc1ccccc1	2259446983	JEGDHTZIQHCBGK-SJORKVTESA-N	245.410	4.634	0	10	BJAE	
CN[C@H](C[C@]12CCCC[C@H]1CC2)C1(C)CCCC1	2260583736	QIBSFNNRMZWRRY-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@]23CCC[C@@H]2CC3)CC1	2260619216	IZPMKSBGJMUZKD-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CCCCC1CC(N)(C[C@]23CCCC[C@@H]2CC3)C1	2260678996	OTSMCNJHYGVRMR-JCCCHCCOSA-N	249.442	4.645	0	10	BJAE	
CC1CC(CC[C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2261498982	DPVCUSGRKFBDHQ-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@](C)(N)C1CCC(C)CC1	2300679278	RLPKGAFAZMUSFT-BCLQGDPASA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCC[C@@H]1C(C)C	2300703663	IXBOGPDYVMNXTJ-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CCC(C)=CCN1CCCC(CC)(CC)CC1	2300886300	UJLUVFHOIQHNDF-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CCNC[C@H](CC(C)C)CC1CCCCCC1	2301245412	WJALGHJWNQAGPJ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C(=O)CCCC1=CCCCC1)C1CC1	2302346441	GYNDQMPZYKLIEZ-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](N[C@H]1CCC(C)=C(C)C1)c1cccs1	2303459310	QBYMNJAOBYLLQV-KBPBESRZSA-N	249.423	4.678	0	10	BJAE	
CC1(C(=O)C[C@H]2CC[C@@H]2C(C)(C)C)CCCC1	2303478986	VRRCTGPQZPFUEE-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC[C@@H]1CCC(C)(C)C1	2304435691	JZZDTZKITZYJQY-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC[C@H]1CNC(C)C	2307827319	WVJZSBFFGKFGQI-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@](C)(C[C@H](CC)CCC)C1CC1	2307832290	RRFXHUOGLOPBOO-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)CCC[C@@H]3CC[C@@H]32)CC1	2309520783	FALLFZRPBPKIAG-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC=CCCC1)[C@@H]1C[C@@H]1C	2309815429	ZCLBQTAMTLBGFX-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](N[C@@H]1C[C@H]1C(C)(C)C)c1ccccc1	2311537511	QVVWOBWHVFYIQM-BZUAXINKSA-N	245.410	4.552	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1cccc(C)c1C	2316504187	UMVZATCBBLQPFH-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CC(=CCN(C)[C@H]1CC=CCC1)CCCC(C)C	2316506811	SJQOZHTVZCYARB-KRWDZBQOSA-N	249.442	4.800	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1CC12CCCC2	2316510070	SFKMNPSDVRRKPY-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(CC)c1nc2ccc(C3CC3)cc2[nH]1	2317130478	ZSSQJQQOTRNCLJ-UHFFFAOYSA-N	242.366	4.518	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H](C)[C@H](C)C(C)C)c(C)c1	2317833981	GXLFAEYRJNZENQ-HUUCEWRRSA-N	246.394	4.723	0	10	BJAE	
CC(C)(CC[C@H](N)CCC1=CCCCC1)C1CC1	2317913666	VPFUHSJWUVBXIS-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)[C@@H]1CCCC12CC2	2318588415	ZHRRRKSOGWJZAO-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@H](C)C(C)(C)C)c1	2327699564	QHWZJKCBWWXTRN-BBRMVZONSA-N	247.426	4.800	0	10	BJAE	
C=C/C=C\c1ccc(-c2ccc(C)s2)s1	13380198	UDVRUDAOZHNOLY-PLNGDYQASA-N	232.373	4.984	0	10	BJAE	
CCc1ccc(C(C)(C)C)c(O)c1C(C)(C)C	33637511	SJJNVHBNVQEDBA-UHFFFAOYSA-N	234.383	4.550	0	10	BJAE	
CCCCC[C@H](N)c1ccc(Cl)c(Cl)c1	37377828	HZXGPGILFHZSDL-LBPRGKRZSA-N	246.181	4.574	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1cccc2ccccc12	54439195	PHWDOIVEMUYAHO-GUYCJALGSA-N	241.378	4.537	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2cc(Cl)ccc2Cl)C1	70747662	LKHAEVDMXXDSHG-WCBMZHEXSA-N	244.165	4.594	0	10	BJAE	
CC[C@H](C1CCCCC1)n1c(C)ccc1C	71084581	DFPKNXXNPLYTAT-OAHLLOKOSA-N	219.372	4.636	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H](CC)CCCC	82679757	NELQQLTULNJDFZ-HUUCEWRRSA-N	228.420	4.924	0	10	BJAE	
CSc1cccc(N[C@@H]2C[C@H](C)CC[C@H]2C)c1	85083365	GTSBTUAGISWQPN-LALPHHSUSA-N	249.423	4.645	0	10	BJAE	
CN[C@@H](C)C1CCCCCCCCCCC1	85659796	FYVWYYGDAHIEJJ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC[C@H]2CC=CCC2)CC1	86945915	XMVJRYDJAFBCQM-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)c1cscc1C	87288874	GQDAZBYTWJNUPD-SMDDNHRTSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)CC(CC)CC	128666819	ARJZCWUDPHGBEX-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cccc(C2CCC2)c1	128764539	VABPIJDPURSJSW-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CC[C@H]1CCC[C@H](Oc2cc(C)ccc2C)C1	130389603	LBDVFFNFFIPWHX-GJZGRUSLSA-N	232.367	4.651	0	10	BJAE	
CCCCC[C@H]1CCCCC[C@H]1CNCCC	130789332	YMEMEPVYCMSNHT-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@@H]1CCC(C)(C)C1	131400086	TVLGGIBGQPLKDW-CQSZACIVSA-N	239.447	4.616	0	10	BJAE	
CCCNC[C@H]1CCCC[C@@H]1CC(CC)CC	150086090	IHJRGTNKIUYAMO-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C2CCCCCCC2)C1	158835077	BLCLOACFTCMMGE-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1C)C(C)(C)CC	163542380	CCVQTZDBUNFGSH-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
C[C@H](CC(=O)CC1CCCCC1)C(C)(C)C	168006258	JCSZDYWSKIKQKR-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C[C@H](C)C(C)(C)C)cc1C	168670275	UMSSYDGPKMFCGC-HOCLYGCPSA-N	247.426	4.684	0	10	BJAE	
CCCC[C@@H](CCC)Nc1ccnc(Cl)c1	226136666	HDBCFWFJEBFUHY-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CCC[C@@H](CC)Nc1ccccc1OCC(C)C	233284687	POQKSHCECVCWJF-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](C)CCNC(C)(C)C)C1	251622108	LPFTVWKQJZBZIP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1C	302271848	HKMUDSVJRLBJJI-DVOMOZLQSA-N	245.410	4.794	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(O)CCCC(C)(C)C	302277295	INHAUFBSUROMOA-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(C2(CN)CCCCCC2)CC1	302525337	PYBVSAADALAAFV-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](C)C(=O)c1c(C)cc(C)cc1C	304192746	CETUIPILGAVXBO-LBPRGKRZSA-N	232.367	4.621	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cc2cc(C)ccc2o1	305986411	IPISVQWVLDMKRP-LRDDRELGSA-N	245.366	4.567	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1ccsc1C	309397683	INSQUSXYCNIDST-OCCSQVGLSA-N	240.412	4.696	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(O)CCC(C)(C)CC2)C1	310187036	XVIFZLVJAHWACZ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@]1(O)CCCCC12CCCC2	310212188	DMRBLLHGNQDSMG-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CCCCC12CCCC2	310318475	XZJNOXFYRGPISN-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)C[C@H](C)c1ccccc1	310571557	WBGWOZGEXJRPTB-ZOBUZTSGSA-N	248.410	4.613	0	10	BJAE	
CN[C@H](CC1CCC(C)(C)CC1)c1ccccc1	311058512	YNTPWVHAEGJNQC-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CC(C)[C@H](C)CN[C@@H](c1ccccc1)C(C)(C)C	311210076	KWVHSGUTSJSQRF-ZBFHGGJFSA-N	247.426	4.656	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](CCC(C)(C)C)NC)CC1	328368507	VJTATWPEDJIAHL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)C1(C)CCCC1	383269608	NEVOFKFPNIBNPF-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCC[C@H](C)[C@@H]1C	383327652	YTBNLBBWAAOIAE-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C/C(=C/CCNC(C)C)C[C@@H]1CCC[C@H](C)C1	383508344	KRSZADLAZYHWQO-HFAZJSBRSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](N)CC1CCC(C)(C)CC1	383674773	MVUVSWZDVVLKDX-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@H](C)CC(C)C	383772136	HXJDZLDFDJSKBS-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CCc1cccc2ccn([C@@H](C)c3ccccc3)c12	387657709	LXHRYYLCRGCDRZ-AWEZNQCLSA-N	249.357	4.813	0	10	BJAE	
CCCC[C@H](NC[C@@H]1C[C@@H]1CC)c1ccccc1	387772542	CALNCCVGBGFXAX-XIRDDKMYSA-N	245.410	4.554	0	10	BJAE	
CCc1ccc2scc(CC)c2c1CC	396204365	IVSYRBUBLCOOMG-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CC(C)(C)c1ccccc1[C@@H](N)CCC1CCC1	398732362	WCGVCSCUXDNDIN-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
C[C@@H]([C@H](N)c1ccc(C(C)(C)C)cc1)C(C)(C)C	399182085	PAQRNRKRMJOOJM-WFASDCNBSA-N	247.426	4.666	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CCC(C)(C)C2CC2)C1	405979376	IMXMAUASHSYRFS-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1c2ccc(F)cc2C(C)(C)C1(C)C	575328860	IUNLZSVYCROJOI-GFCCVEGCSA-N	220.331	4.637	0	10	BJAE	
CCC[C@@H]1CCC/C(=C/Br)CC1	606288453	QGQRGLFGTFQQOL-QLWWJYNRSA-N	231.177	4.646	0	10	BJAE	
CC(C)CC1(CN[C@H](C)C(C)(C)C)CCCC1	687794263	YAUMKVSRSYFIJN-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCCC1CCC1)NC	688371094	WLJDBRWLYGEPRL-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](C)CC2CCCC2)c1	689802552	RLSQUAGNENGYKQ-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(C3CC3)cc2)C1	690102788	QMSFDLICNVGYEK-SUMWQHHRSA-N	243.394	4.945	0	10	BJAE	
O=C(CCC1CCCCC1)[C@H]1CCCC2(CC2)C1	695915280	FPXXHUGVIIYHRK-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC(C)=CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O	697597983	GUEHENRYGNUCPR-ILXRZTDVSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCCCC[C@H]1C(C)C	704461596	UJBCMKVDNGQRPJ-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(N)([C@H]2CCCC[C@@H]2C)CC1	704833451	RJXUFYAXTNGTPK-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C1CCCCCC1	704888188	JKQMTIUTHBJQFP-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CC[C@H]2CCC[C@H]21	707854904	AUHAVXNYARMLJB-YRGRVCCFSA-N	249.785	4.639	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(O)CCC12CCCC2	709178939	RWRVFOFZHNRXGA-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](N[C@@H](C)C(C)(C)CC)c1ccsc1	710056222	DKSPLHFMUSZLRD-WCQYABFASA-N	239.428	4.614	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)C12CCC(CC1)C2	710983402	XTEORPJAPWNMNL-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@]1(CC(C)(C)CC)CCCCCN1	713182771	ISMGJRMLEIIUBQ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC(C)(C)C[C@]1(O)CCC[C@H](C(C)(C)C)CC1	713192200	ZBHUIIQUNMVABP-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCCCC[C@@H]1C(C)C	713213069	YNESDIJEFRESJD-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H]1CC(C)(C)CC[C@H]1CC(C)(C)C	713246076	DBBFOAIUTCNAKT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@@H]1C[C@H](C)CC[C@@H]1CNC(C)C	713709817	LKOOGKDXBZKQOX-SKACODALSA-N	249.442	4.559	0	10	BJAE	
CC/C=C/C[C@H](C)c1cc(C)cc(C)c1	714523565	RQPYQOUCULAHOB-UZYOAWRESA-N	202.341	4.763	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C1CC2(CCC2)C1	717559010	DELFYXOWROHGER-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCc1cccc2cnsc12	718698235	NZVCSPOLJWXBLQ-UHFFFAOYSA-N	231.364	4.585	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCC[C@H](C)C1	719176547	ZNEQTNFEHKXQKM-JSGCOSHPSA-N	222.372	4.518	0	10	BJAE	
CC1(C)CCCCC[C@H]1NCCC1=CCCCC1	719260080	MJGRLOPOXOQWGV-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](C)C[C@](O)(CC)CC1CCCCC1	720988945	IAXLZJLQNXUCRV-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@@H]1C[C@H]1CC	723128201	UXKAWIOLPMMYCO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CSc1ccc(F)cc1	1164453307	DHNVIQDSSRGVAY-VXGBXAGGSA-N	238.371	4.744	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC1CC(C(C)(C)C)C1	1560856992	VKJNSZFTGBUXRQ-LQULJDIASA-N	239.447	4.616	0	10	BJAE	
CN(C1CC(C)(C)CC(C)(C)C1)[C@@H]1C=CCCC1	1659361402	VESKVNRZQQQIJH-CQSZACIVSA-N	249.442	4.632	0	10	BJAE	
CCC1(C[C@](C)(N)CCCC(C)C)CCC1	1900595991	FWVUYNJBIRLDAJ-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1CCC(C)(C)C1	1902236829	TUHNRFVRPVGOFL-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(N)CCCC(C)(C)C1	1905301494	GEKBPJZPINFZLZ-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCC[C@@H](C)C1	1905303249	JHPJKTVAMYSXRQ-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)C[C@@H](C)CC(C)(C)C	1910810568	YOWMYYURDDUNDC-NFAWXSAZSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@H]1CN[C@H]1CCC2(CCCCC2)C1	1915864335	CLZBJECYOBIRBN-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@@H](C)C1CCCC1	1923914807	YQUIXBKKLKDBIU-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@](C)(CNC(C)(C)C)C1CCCC1	1924130836	BELLXTYODLGQIX-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C=C1[C@H](CN)CCC12CCC2)CC	1924999137	YXKOANBCCJXUFY-GJZGRUSLSA-N	249.442	4.668	0	10	BJAE	
C[C@H](CC[C@H]1C=CCCCC1)CC(F)F	1925857367	OZVKFVGJQNTGGO-NEPJUHHUSA-N	216.315	4.804	0	10	BJAE	
CC[C@H]1CCCCC1=C1CCC(C)(C)C[C@H]1CN	1927147476	LYMIVYCAAQUYEJ-KBPBESRZSA-N	249.442	4.668	0	10	BJAE	
Cc1ccc(O[C@H](C)CCC(C)C)c(Cl)c1	1937174170	NLPNJQRYNCHJGW-GFCCVEGCSA-N	240.774	4.852	0	10	BJAE	
CC(C)C(C(C)C)[C@H](C)NCC(C)(C)C(C)C	1940244784	GTIWASRRHSSAGD-AWEZNQCLSA-N	241.463	4.575	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](C)c1ccc(N)cc1	1940964524	BQEDSDHIEBBBML-XJKCOSOUSA-N	231.383	4.589	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H](CC(C)C)C(C)C	1941246012	OODGDLMBVNENBZ-GJZGRUSLSA-N	242.447	4.882	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CC1CCCCC1)NC	1941265781	XVPNJWVQYMKYFT-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CNCCC)C1CC1	1942091451	SIDUNKAEUPJLLC-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)c1cccc2c1NCCC2	1942662592	QIUFKPCQEFOVSK-ZDUSSCGKSA-N	231.383	4.584	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CN)CCCC1(C)C	1944479132	ZBDVDYDCYJRVOL-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
C[C@@H]1CCC[C@H]1COc1cccc2sccc12	1944787404	ZYYFPOJZKKUWGN-NEPJUHHUSA-N	246.375	4.716	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@H]1CCC[C@H]1C	1944829601	DMDJALBNRDWDOB-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](O)CCCCCC2CC2)C1	1945582074	KEANDITYIOWTAB-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(N)CCCCC12CCC2	1947901793	UCOWASHTNCIYJB-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@H]1CC12CCCC2	1948079535	FLLMELXNBPJRBQ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CO)CC12CCCC2	1948135127	FUVMXMBWFGFVBD-GOEBONIOSA-N	238.415	4.536	0	10	BJAE	
CC(C)=C(C)CCNC1CCC(C(C)C)CC1	1948425345	LSOJGEXGWWXBLE-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCCCCN[C@@H]1C[C@H]2CCCC[C@]2(C)C1	1948597198	WNVXIXFYPLSUNL-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@@H]1CCC(C)(C)C1	1949518973	NJSOPJXPOAEOKG-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CC)CC1CCCC1	1949870299	OJNXVZPGFRPHOF-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
NCC[C@H]1CCC[C@@H](CCCCCC2CC2)C1	1950517809	XYNYZZZPMZOMPE-HZPDHXFCSA-N	237.431	4.502	0	10	BJAE	
CCC(C)(C)CC[C@]1(CN)CC12CCCCC2	1950602681	UAAARXZCPAISDX-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CN(CCCCC1CC1)C1CCCCCCC1	1963349792	MLWJYXZUJLEIBZ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
C[C@@]1(CNCCC2CCCCCC2)C=CCCC1	1967837821	VHDSUMNOXNCFGH-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc(N[C@H](C)CCCC(C)C)cc1F	1968319490	YQPVFWSQSGWXIQ-CYBMUJFWSA-N	237.362	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H](CCN2CCC23CCCCC3)C1	1969769285	FQIPOVOZGWYHLY-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCc1cscc1-c1ccnc2ccccc12	1971147524	VYYDDGQQNHUEKQ-UHFFFAOYSA-N	239.343	4.526	0	10	BJAE	
CCc1ccc(N[C@@H](C)C2(C)CCC2)cc1C	1972020722	JIISMPHUDOGZKB-ZDUSSCGKSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@](C)(CCC(C)(C)CC)CNC	1978632010	IFEWHILGPDNRPX-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H](C)C1(C)CCC1	1981367967	CBCSHDJVHQZACR-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
C/C=C/CCCn1ccc2c(Cl)cccc21	1984593254	NFHJXNKKZLZWBD-NSCUHMNNSA-N	233.742	4.651	0	10	BJAE	
C/C=C/CCCNCC(C)(C)CCCCC	1984610465	OKCXZXVQQAAZFS-FNORWQNLSA-N	225.420	4.539	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C(C)=C(C)C	1989666550	RKTIPMQBILRWHC-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)c2ccsc2)CC1	1989839061	NUOKHYNNBQPCGN-HAQNSBGRSA-N	236.380	4.537	0	10	BJAE	
CCCCC[C@@H](CC)NCC[C@H](C)CCC	1990091867	RZRSGYSIUNBGNQ-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@H](C)CC(C)C	1990123581	NFIWSGIPRDGKOQ-HUUCEWRRSA-N	227.436	4.569	0	10	BJAE	
CC(C)c1ccccc1NCC[C@H](C)C(F)F	1996079672	BRLYMSCQCPGVLB-NSHDSACASA-N	241.325	4.513	0	10	BJAE	
CCC(CC)C[C@H](N)[C@H]1CCC[C@@H](CC)CC1	1997109116	NESOYEQRZZNUCO-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1CCC(F)CC1	2000214721	HREYABLWABOGLF-UHFFFAOYSA-N	242.378	4.690	0	10	BJAE	
CCC(CC)(CNCC(C)C)CC1(C)CCC1	2000512493	YEZMUSMXFVRIIU-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(N)[C@@H]1CCC[C@@H](C)C1	2003012475	AFLGNHPXEZGPGA-QXSJWSMHSA-N	239.447	4.602	0	10	BJAE	
CCCC=CCN[C@H](C)[C@H]1CCCC(C)(C)C1	2003016626	HHOFOYADWVKMQR-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CCC([C@@H](O)C=C(C)C)CC1	2003107401	BTBFCTHQMGTNBU-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H]1CCCCCC[C@@H]1C[C@H](C)CC	2003116248	HSSFEGSLZQLDKU-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@]2(C)C=CCCC2)C1	2003327775	YMAXDDKCQXXMEG-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CC(C)(CC)CC)c1ccco1	2003682770	ZIFHMPVSBXJIIK-ZDUSSCGKSA-N	237.387	4.537	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)C1(C)CCCCCCC1	2004922811	KROJZVBTBLBOCE-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC(=O)C1(C)CCC(C)(C)CC1	2007683496	PSCPDOBMLBUPHS-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CCCC[C@@H]1C	2009596115	NMFQLZGLELDQLA-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCC1(CN)CCC(CCC)CC1	2009619121	IWFRUZWQTGSJCV-HWKANZROSA-N	237.431	4.668	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@@H](CCC)CC(C)C	2009619478	LUQCKNBIPVJPDM-BWVNKGDMSA-N	239.447	4.783	0	10	BJAE	
CCC1CCC(N[C@@H](CC)CCC(C)C)CC1	2013265537	XHAHZMKJMDHINW-PCKAHOCUSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C(C)C)C1CCC1	2013268108	WYIMGTDMMZDRSB-HZPDHXFCSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1C[C@H](C(C)(C)C)C1	2013707291	LKRZYVQSBJTWBD-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC(C)C(C[C@H]1CCC(C)(C)C(=O)C1)C(C)C	2015379802	PTQMFXCFRMVIPW-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(N)CCCCC12CCCC2	2015401086	SHWICPVRGJSUIU-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](NC)[C@@H](C)CC)CC1	2017724179	MHGRRYDZMNWIFT-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@](N)(C[C@H]2CC[C@H](CC)CC2)C1	2017732314	ZYVQYKSYCRAXTL-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CN(CC)[C@H]1CCC[C@@H](CC)C1	2019204093	UCBLNRAXUYTRGA-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
C[C@H](Nc1ccccc1C1CCC1)C1CCC1	2021026086	KGRNKPXBRPGNKF-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCCC[C@@H]1CC	2022556427	GDKVQLPXPISDLM-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2CCCC(C)(C)C2)CC1	2024093320	AMJJCYPQXDPGGW-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC1(CC)CCC1	2026148848	XJQYTCOIZSASKI-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2CCCC3(CC3)C2)CCCCC1	2027313795	JHYMPWGZIJGRQQ-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1(C2CCCCC2)CC1	2027372583	FYGIXOGHZRDDQX-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc(C(=O)CCC[C@H]2CC2(C)C)c1F	2027844426	ZOSQXAJCKKOYFD-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)C1CCC(C2=C[C@@H](N)CCCC2)CC1	2028110928	BBSVJUGRLKPHKW-BCLQGDPASA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H](NC[C@@]2(C)C=CCCC2)CC(C)(C)C1	2030351398	JVYJYPZHTMMWRE-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CNC[C@@]23CCCC[C@@H]2CCC3)CC1	2031804781	MTGQPMDCDZTNCN-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C1CCCC1	2032292290	BBYLIYFNYGAJSL-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CC=CCC12CCCCC2	2032662538	ZCQGLUJBCSMRBI-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
C(CCNC1C[C@@H]2CCCC[C@H]2C1)CCC1CC1	2034138088	RWBNAETUYAJTCP-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CCC[C@@H](C)C1	2035597994	DMTHEILNOAGPQU-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@@H](CNc2cccc3ccccc23)CCC1	2035598509	JZGMLTRKUFSJAV-CQSZACIVSA-N	237.346	4.608	0	10	BJAE	
CCCC1CCC([C@H](N)CC2CC3(CC3)C2)CC1	2036725116	QHSDIWWQDAEHOM-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c([C@@](C)(N)CCC(C)(C)C)c(C)c1	2037093336	BRQFZQYXJTYXHS-KRWDZBQOSA-N	247.426	4.612	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@@H](N)CCC(C)(C)C2CC2)C1	2037162078	KSSIJFRSUNTHKT-BJJXKVORSA-N	249.442	4.523	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H](C)C1(C)CCCCC1	2039862494	OILNVBRBNLJYGR-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
C1CCCC(CCNC2[C@H]3CCC[C@H]2CC3)CC1	2042052832	APLAEGOJNGSYMW-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)C2CC2)CC=CCC1	2042090943	HAESIQUYPMUTHT-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)C1CC(C=C2CCC[C@H](CCN)C2)C1	2043000878	OVVOOIFUMVQVBM-IUDNXUCKSA-N	249.442	4.524	0	10	BJAE	
CCN[C@H](CCC(C)(C)C1CC1)[C@@H]1C=CCCC1	2043194729	OTAGBQIIPJYMPH-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@@H](C2(CNC3CCC3)CCCCC2)C1	2046212403	MYBCQGNOQQBDRT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2046484340	XWPNFSQWRSEZJU-LTIDMASMSA-N	249.442	4.514	0	10	BJAE	
C1CCC[C@H]2[C@@H](NCCCCC3CC3)C[C@H]2CC1	2047434016	GULQGRHFQLTSEQ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@H]1CCC12CCC2	2047939614	OWJMSRJPHWUXQB-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048491905	NUDCUOCMUGNETA-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C2=CCCCCCC2)C1	2049530669	YAIGFVFSGCWMOC-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC[C@]1(C)C=CCC1	2049985064	UYHKIDVVMJJFCK-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1CCC(C)(C)CC1)[C@]1(C)C=CCC1	2050007765	FVWUZZBHDIRRAF-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](O)CC2=CCCCCCC2)cc1	2050429535	KEKKXTJFEPRLJA-KRWDZBQOSA-N	244.378	4.699	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@H](O)c1ccccc1C	2050442164	TVGJIPORUQZHAN-VYDXJSESSA-N	246.394	4.635	0	10	BJAE	
CC1(CCCC(=O)[C@@H]2CCCCC23CCC3)CC1	2053362028	YRTAOPRUVKOTDQ-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC[C@H]1CCC[C@@](CNC(C)C)(C2CC=CC2)C1	2053693924	IFUZFVDSMDHPKA-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)CC1CC2(CCC2)C1	2056448744	GTFXKKJUHKDSKX-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H](N)C2(C)CCC3(CC3)CC2)C1	2056552406	LCQBQYKUMLWOHW-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C1(C2CCC2)CC1	2059174896	YUTMMVMYBLLUPN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@H](N)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	2059180369	JZOGWMLIFDHAIT-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]12)NCCC	2059247919	WMNHOXMYWZAAKI-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)C1(CC)CCC1	2061145104	WOQUQPRURCYDJV-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CCC(O)(CC2CC(=C3CC3)C2)CC1	2061683050	SUFQDQPFVDEHPY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCCCC23CC3)CC1	2062019910	XJWCRXHHDYLHMZ-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)CCC3(C)CC3)C2)C1	2063210582	GSHKCLPFAZDWGZ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C1CCCC(NC[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2063406026	JYOUIWHMWWICSN-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NCC1CCCCCC1)c1occc1C	2063680784	LRZCXYPGZXKGQH-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@@H](CC23CCC(CC2)CC3)C1	2065338924	WBCCPHDMCATNDO-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NC2CCC(C)(C)CC2)n1	2066347932	WKWXPAAUFJPKMG-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C[C@@H]1CC12CCC2	2069196028	FEZRCUKLBABYQO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](N)C2[C@H]3CCCCC[C@H]23)CCC1	2069267961	JFCULKODQSQKKA-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)c2ccccc2CC)CCC1	2069283844	VHMYJUKSTRXWNW-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CC1	2071194972	XWNBDFOLLSAZCB-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@]23CCCC[C@H]2C3)CCC1	2071946359	PASWGHWKVIJQDG-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H](Nc1ccc2ccccc2c1)C(F)F	2071992319	OCGUTZBXTIEUTF-CQSZACIVSA-N	249.304	4.541	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CC[C@H]2C2CC2)CC1	2072797509	ZXNNKOKDAAERSP-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CNC2(C3CCC3)CCC2)CC1	2072799575	UXCZDIKPDNEANI-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@]23CCCC[C@H]2C3)C1	2074100741	LYDWQWUYRCWKAJ-NZUILWFCSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1ccccc1C(=O)CC1(CCF)CC1	2074592047	YQZAQLFRIVAHDR-UHFFFAOYSA-N	248.341	4.523	0	10	BJAE	
C1=C[C@H](N2CCC[C@H]2C2CCCC2)CCCCC1	2074797757	UCKYBWQTCKYEQO-IRXDYDNUSA-N	247.426	4.530	0	10	BJAE	
Cc1ccc(CN(C)[C@@H](C)CC(C)(C)C)cc1C	2074917047	RHQUROCPVBUSQS-HNNXBMFYSA-N	247.426	4.560	0	10	BJAE	
CCCCc1ccc([C@@H]2CCCC(=O)[C@H]2C)cc1	2077925898	ZLWRZDYHKWMLTP-XJKSGUPXSA-N	244.378	4.502	0	10	BJAE	
CC1(CC(=O)[C@H]2C[C@@H]2C2CCCC2)CCCCC1	2079487930	SSFYWUNEQRXMEO-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](NCC)[C@@]1(C)C=CCCC1	2079641075	FMEPGQVQALGPLE-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](C[C@H]1C[C@H]1C1CCCCC1)C1CCCCC1	2079839067	PQONQDSCBUFGHC-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1C[C@H]1C1CCCCC1)[C@H]1C=CCCC1	2079841681	KEESAACONRQKQM-JYJNAYRXSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@@]1(N)CCCC2(CCC2)C1	2079883939	GLQPCJMWXDVFIH-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H]1CCC[C@@H]1C(C)C	2080252909	RONXMIKJTSXBQI-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@@]1(CC=C2CCC2)CCC[C@@H](C)C1	2081677425	LSCJKZFCVPOCAF-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](C)C1(C)CCCC1	2081946500	HZNXVKMMPAJYRT-LBPRGKRZSA-N	249.373	4.769	0	10	BJAE	
CCCC[C@H](NCCC)c1cc(C)cc(C)c1C	2082919555	QVKZIBQSZKAWMT-KRWDZBQOSA-N	247.426	4.843	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N[C@@H]2CCCCCC23CC3)C1	2085309002	WXILQDPDCDPYAH-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C(=O)c1scc(C)c1C)C(C)C	2210568851	CERSSXBMYJTDEN-GFCCVEGCSA-N	238.396	4.620	0	10	BJAE	
CNc1cccc(-c2cc(C)c(Cl)c(C)c2)c1	2212863210	RWXRGYXOUCLRJL-UHFFFAOYSA-N	245.753	4.666	0	10	BJAE	
CCC(CC)[C@H](C)NCCCCCCC1CC1	2213572566	XQZOMEDJKMYTLJ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@H](O)[C@H](CCCCCCC2CC2)C1	2213579369	FAFVBPUMEYJWNK-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@@H](C)CC(C)(C)C	2214565540	NRERQIMKVCTOCI-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC1=CC[C@](CO)(CCCCCC(C)C)CC1	2215837732	QZQSOYLFNLAHQB-MRXNPFEDSA-N	238.415	4.702	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@H]1CCCC[C@H]1C	2217149579	IYHIDUBRZBKRGJ-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(CNC2CCC2)CCC[C@@H](C)CC1	2217164910	ZXFBYXQZQMHNCQ-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
O=C(CCCCCCC1CC1)CCc1ccco1	2218723630	HARKEGWFNGFHAS-UHFFFAOYSA-N	248.366	4.532	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1C[C@@H]2CCC[C@H]21	2218725148	LPKHRHXICOYFSS-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@@H]1CC[C@@H]2C[C@H]12	2218731598	NSXMSBDIXCHAQI-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@]1(N)CCCC2(CCCCC2)C1	2220663996	QAOXZKVTUWJEKV-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)CC1(C)CC2(CCC2)C1	2221037336	CWFFMXJDHNSZOJ-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CN(C)[C@H]2CCC[C@H](C)C2)CC1	2221603724	VVAAHUPPVVOKHW-ULQDDVLXSA-N	249.442	4.633	0	10	BJAE	
Cc1cc(C)c([C@@](C)(O)[C@@H](C)CC(C)C)c(C)c1	2221991824	BDDIMGMHRAHJGH-RDJZCZTQSA-N	248.410	4.502	0	10	BJAE	
O=C(CC1CCC1)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222950236	VQCCFHUQYVOAFS-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
C(CCCC1CC1)CCCN(C1CCC1)C1CC1	2223108617	FIILXSPFANTGLP-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
Cc1ccc([C@H](C)[C@H](N)CCCC(C)(C)C)cc1	2223963565	JXAGQXPMIZIHMS-GOEBONIOSA-N	247.426	4.642	0	10	BJAE	
Cc1ccc(Cl)c(OCC2=CCCCC2)c1	2243271620	QNYKJKMAWIGMRI-UHFFFAOYSA-N	236.742	4.528	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CCCCCC1CC1	2244768447	XTYFBZHOHQJSKR-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)c1cc(C)cs1	2244782996	OCHYUDNNIIUYFW-JSGCOSHPSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@](C)(CN)CC[C@H]1CCCCC12CC2	2246629408	GDRATRYFNOMMNS-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CN[C@H](CCC[C@H]1CCC[C@H](C)C1)CC(C)C	2246657868	VYBGHFGRPPSQKA-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
Cc1cn(CC[C@H]2CCC[C@@H](C)C2)c(C)c1C	2246690742	BLIFFZDAFSHPRL-MLGOLLRUSA-N	233.399	4.630	0	10	BJAE	
CCCC1(NCCCC[C@@H]2C[C@@H]2C)CCCC1	2247113682	FFPOJWDMDMVMLB-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C1(C)CCCCC1	2247170146	GMLPXRUMJODUDY-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC(=O)C[C@H]1CCC1(C)C)C(C)(C)C	2247397296	GIQVZXSPATXUGT-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1(C)CC2(CCC2)C1	2250371257	KQUXOHWSDAESGX-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(=CC[C@@H](C)CCCC(C)C)CCCCN	2250478744	LSVLQLLFLIMQNV-INIZCTEOSA-N	239.447	4.914	0	10	BJAE	
C1=C[C@@H](CC2C3CC4CC(C3)CC2C4)CCC1	2252678475	UYPRDALVEACGKM-XXXXFFMBSA-N	230.395	4.805	0	10	BJAE	
C[C@@](N)(CC[C@@H]1CCCCC12CC2)C1CCCC1	2253844784	VPUMNKUQZADEFZ-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCN1CC[C@@H]1CCCCC12CC2	2253852539	JVBZRJAMUHMLTI-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCCCC12CC2)C1(C)CCC1	2253853398	LGRAIOOHIFQTJY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
NCC[C@@H]1CCC[C@@H](CC2CC3(CCCC3)C2)C1	2254084137	LSNCFDUMXCDSKY-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@H]2CCCC23CC3)C1=O	2255257799	XTGHEEMNZSWFHK-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C[C@@H](N)CC[C@@H]2CCCC23CC3)C1	2255288672	QVUPEHVLWXSHIP-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)CC[C@@H]2CCCC23CC3)CCCCC1	2255309410	ACXAVXZAQHDGTI-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)[C@@H]1CC12CCCC2	2257282508	KIDIOLFUCLTUOJ-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@]1(C)CC=CCC1	2257300134	DCFYSNSYQKNNJH-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)c1cccc(CC)c1	2259448982	TVMQLMCVPIASEP-WBVHZDCISA-N	247.426	4.726	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccc(C2(C)CC2)cc1	2259457419	GUOZPNQQKYVTMA-CZUORRHYSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@]12CCCC[C@@H]1CC2	2260488957	JSRQRYVYKIZVNF-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@]23CCC[C@@H]2CC3)C1	2260545050	NDMLGDDYHSWVAF-GMUWMPNVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@]12CCCC[C@H]1CC2	2260677409	FOPFODZVSLUXSG-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298448649	BREYHCVAJJBAGH-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCC1(CNC(C)(C)C)CCC1	2300675570	GLJUADLVJVLVFV-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301063784	XGDKOFWQXJHGAO-SOUVJXGZSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC(O)(CC2CCCCCC2)CC1	2301208385	SBLICFBBZJEFJA-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC(C)CNCCC(C)(C)[C@@H](C)[C@@H](C)C(C)C	2301830961	AMRDVVSETHQHRN-GJZGRUSLSA-N	241.463	4.577	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CCC1=CCCCC1	2301926251	NBNNUTDAHYFXOX-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CCC1(C[C@@H](O)CCC2=CCCCC2)CCC1	2301953104	NGYPDYIEURAAJL-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)CCCC1=CCCCC1	2302359699	TYCAMNRPYNVQKX-LSDHHAIUSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1COc1ccc2ccccc2c1Cl	2307639253	WVLHPTJNZNZFBS-ZYHUDNBSSA-N	246.737	4.528	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC[C@H](C(C)C)C1	2307874441	GRKMCBKOQBFNJB-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@@H]1CC[C@H]1C	2307891471	CKYFYOIHTWPROA-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H](CCC[C@H]2C[C@H]2C)Nc2ccccc21	2310434516	STHKAFCKYHYAMB-APIJFGDWSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)C1	2312669750	GUYGNOCMALUFKP-RUCLQGLUSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC1(C(=O)C(CC2CC2)CC2CC2)CC1	2313629033	OMBWVMRKJABCAP-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(C(=O)C2CCC(C)CC2)ccc1C	2314702445	MXGNHROGOHBTHE-UHFFFAOYSA-N	244.378	4.566	0	10	BJAE	
C[C@@](F)(CC1CCCCCC1)c1ccc(N)cc1	2316872596	JBKLREJEIUIHOB-MRXNPFEDSA-N	249.373	4.814	0	10	BJAE	
N[C@]1(CC2CCCCCC2)CCC[C@H](C2CC2)C1	2316880960	MBDJFMZYLVOKEJ-IRXDYDNUSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cccc([C@@H](O)CCCC2CCC2)c1	2320514058	LSQWFOAHCZYFQI-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H]2CC(C)(C)[C@@H]2C)c1	2320522132	XHIPBYNPHPCFLI-KCXAZCMYSA-N	246.394	4.526	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CC[C@H](C)[C@@H](C)N2)c1	2327786372	IXRJRVFTYCVGIN-VBQJREDUSA-N	245.410	4.568	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CC)Cc1ccccc1	2328192928	HPRVMWSIMYMILW-RDJZCZTQSA-N	248.410	4.587	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CCC2CCCC2)c(C)c1	19231267	DBIMOHPBJCIKGX-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccccc1Cl	19999366	CMSWDVUJQJYIRE-NWDGAFQWSA-N	239.790	4.967	0	10	BJAE	
CCOc1ccc(N[C@@H](CC)C[C@@H](C)CC)cc1	20551421	MKHOOMIAYKVTQC-KBPBESRZSA-N	249.398	4.712	0	10	BJAE	
CC[C@H](C)CNc1ccccc1-c1cccs1	37075600	CPUDHMRXWQAYHR-LBPRGKRZSA-N	245.391	4.873	0	10	BJAE	
CCCC[C@H](CC)CO[C@H](C)c1ccc(N)cc1	40909165	LMEXPEXDAKAJLE-KGLIPLIRSA-N	249.398	4.563	0	10	BJAE	
CC[C@H](Nc1ccccc1C(C)C)c1ccco1	54082640	XGVMMUCNMPNBFO-AWEZNQCLSA-N	243.350	4.966	0	10	BJAE	
CCN(c1cccc(C)c1)[C@@H](C)c1ccccc1	59740944	FDNSTCGBCLYQKC-HNNXBMFYSA-N	239.362	4.583	0	10	BJAE	
CC1=C[C@@H]2[C@H](CC1)C(C)=CCCC2(C)C	59778570	PUWNTRHCKNHSAT-ZIAGYGMSSA-N	204.357	4.725	0	10	BJAE	endogenous,in-man
CCCC(CCC)NC1CCC(C)(C)CC1	70655268	VWCSGYVSXQRNJR-UHFFFAOYSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc([C@H](O)CC(C)(C)C)c2ccccc12	79905815	YCNZMAJXIYSSJJ-MRXNPFEDSA-N	242.362	4.618	0	10	BJAE	
CSc1ccccc1N[C@@H]1CC[C@H](C)[C@@H](C)C1	84984079	AHFMYRRJVRROME-RWMBFGLXSA-N	249.423	4.645	0	10	BJAE	
CSc1ccc(N[C@@H]2CCC[C@H](C)[C@H]2C)cc1	85084076	BWXYBYHJXPFUPD-YWPYICTPSA-N	249.423	4.645	0	10	BJAE	
Cc1ccc(O[C@@H]2CC[C@H](C)[C@H](C)C2)c(C)c1	85155036	DYHRJOIXEKQOKO-GZBFAFLISA-N	232.367	4.507	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2ccc(C(C)C)cc2)C1	88011579	FQZKVZZEVNFSQV-BBRMVZONSA-N	244.378	4.819	0	10	BJAE	
C[C@@H](N[C@H]1CCCC[C@@H]1C(C)(C)C)c1ccoc1	94867851	AHZGPYOVCHDRCD-SNPRPXQTSA-N	249.398	4.535	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(C)cc1OC	103983635	OJSSNYQINQIALI-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CCC[C@H](C)C[C@@H](CNCC(C)C)CC(C)C	110184002	SRRINVVVMIBXAU-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C2CCCCCC2)cc1	110218268	RBXZEPMFMWSZLG-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CCCC(CCC)[C@@H](CCC(C)C)NCC	125075783	PPRXBYFDSOETKO-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CN[C@H](c1ccc(C2CCC2)cc1)[C@@H](C)C(C)C	128759605	FAXBERRCJVLSCF-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CCC[C@@H](C)C[C@H](CC1CCCCCC1)NC	162095233	JDVPXGZEUSEFFU-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC1=C[C@@H]([Si](C)(C)C)C=C[C@@H]1[Si](C)(C)C	196752946	QOZWKQQNRNOUAR-STQMWFEESA-N	238.523	4.919	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccccc1C	210548106	GSDVQHGTPRDAIO-AWEZNQCLSA-N	217.356	4.542	0	10	BJAE	
CC(C)c1ccc2c(c1)SC[C@H](C(C)(C)C)N2	214912543	SUSDQZWYYFDDKC-CQSZACIVSA-N	249.423	4.742	0	10	BJAE	
C[C@@H](F)C1(c2ccc(Cl)cc2)CCCCC1	220783354	QRUHWYJIMPEPFV-LLVKDONJSA-N	240.749	4.900	0	10	BJAE	
C[C@H]1CC[C@H](Nc2cccc(Cl)c2)[C@@H](C)C1	221641743	XHZNOSSNHVUORR-MJVIPROJSA-N	237.774	4.577	0	10	BJAE	
CCCCCCC(=O)Cc1ccc(CCC)cc1	226093230	XXYJBWCWJJUFDR-UHFFFAOYSA-N	246.394	4.721	0	10	BJAE	
CCCCC[C@@H](N)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2	229056074	MQUYRRPAAGYDBL-CGLCSIQHSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)C1CCCCCC1)C(C)(C)C	229435602	ONZVYKNOOYRSTR-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccc(C)cc1Cl	229621427	NPDDDOJLQHYXSO-WCQYABFASA-N	237.774	4.639	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CCC[C@@H](CC(C)C)C1	230793966	HFWFJRKOLIXUMK-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cc(C)ccc1Cl	232229239	MJSLMZDGURVCLJ-WCQYABFASA-N	237.774	4.639	0	10	BJAE	
CCCCC[C@H](NC)c1scc(C)c1Cl	232955523	SXXQOKGBSWHJKF-JTQLQIEISA-N	245.819	4.551	0	10	BJAE	
CCCCCC[C@H]1CNc2c(C)cc(C)cc21	232969417	NOFAKWPGQDSKSZ-AWEZNQCLSA-N	231.383	4.783	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H](C)c1ccccc1	233607751	XAWSZWOITQEBJF-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNCCC2CCCCC2)C1	235385740	FRDRYORYTQJBSM-WMLDXEAASA-N	249.442	4.539	0	10	BJAE	
CC/C=C/C[C@H](C)c1ccc(CC)s1	238222316	MELCKBKVXSBJGT-MLRMMBSGSA-N	208.370	4.770	0	10	BJAE	
CCN[C@H](C)CC(C)(C)CCCC(C)(C)C	300934877	VJYLCXHTYQKQFO-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc([C@@H](N)CCCC(C)(C)C)c1C	302280555	JCPWTWPIZMXKGN-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
CCC1CCC(O)(CCC2CCCCC2)CC1	305897937	SHRAJCVKEWXMQK-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CSc1c(S)cc2sccc2c1Cl	306856007	XMZBMVNBXUVPAO-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CSc1sc2cc(Cl)ccc2c1S	307010853	KIFXYKYKLSDQIS-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@@H](C)C(C)(C)C	310085541	GOSRKKJAAXACDF-DOMZBBRYSA-N	234.383	4.526	0	10	BJAE	
CCCNCC/C=C\CC1CCC(C)(C)CC1	310171980	UGKLQCRQOAUDMO-WAYWQWQTSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CCC[C@@H](N[C@H](C)CCC(C)(C)C)[C@H]1C	310295848	LUBKDPBRDWDLGO-LJISPDSOSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)c1ccccc1	310994560	HFQXHUNGJPMSQK-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C)[C@@H](C)[C@@H](C)CC	320074038	NSDFKGHNGWXEBL-QRTARXTBSA-N	247.426	4.636	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1C)[C@H](C)[C@@H](C)CC	320098119	QDBLJSXHURKLHZ-LXZKKBNFSA-N	247.426	4.636	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](CC)C1CCC1	322578748	UHZALDJIRGOUFQ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H](N[C@@H]1CCC12CCCCC2)C1CCC1	324786306	JZCHUDYTOPSFLO-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCCC23CCCC3)[C@H]1C	328306846	VVEACJNSCDXKEL-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC(=O)C[C@@H](C)C(C)(C)C)CCC1	381597085	FVRNVSKPIGNAFC-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H](C)[C@@H](C)NC(C)C	383173005	SNVWCIKAWUAXLJ-HUUCEWRRSA-N	227.436	4.616	0	10	BJAE	
CC(C)C[C@H](C)C1(N)CCC(C(C)(C)C)CC1	383762035	DXEYDUOJGZXKQW-HLIUYOAVSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(N[C@H](C)CC(C)(C)C)c1C	384797369	SCDXDRXOBLWICK-GFCCVEGCSA-N	219.372	4.540	0	10	BJAE	
CC1(C)CC[C@H](CN)[C@H](CCC2=CCCCC2)C1	384942755	KFDHFYPSNHAWLY-HZPDHXFCSA-N	249.442	4.668	0	10	BJAE	
Cc1cccc([C@H](N)C[C@H](C)C2CCCCC2)c1	386210125	MSLPXKRQGSYIES-WMLDXEAASA-N	245.410	4.601	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	386245237	RUQSNRCNMMDRCK-BFJAYTPKSA-N	248.410	4.598	0	10	BJAE	
CCc1c(F)cc2ccsc2c1C(F)F	396259870	YHHXOLBCFVZMSB-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)CC1=CCCCC1	398652163	LLHOWFDUSROBPZ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CNC(C)(C)C)CC1=CCCC1	401102391	YXKNOKYVCGBEGC-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(Nc2ccc(C3CC3)cc2)CC1	690103802	ZLFNCQUODQEIID-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCCC[C@H]1CC	691087138	HSRIYXNFQOYQMR-ARFHVFGLSA-N	239.447	4.904	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CCCCC[C@H]1C	691104517	RWAIALJCQPPWFY-OWCLPIDISA-N	239.447	4.760	0	10	BJAE	
CC(C)c1ccccc1C(=O)C1CC2(CCC2)C1	691918074	CGRBKIZHFMCXDI-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC[C@H]2C2CC2)cc1	696105848	RCODFOZBVWNTKF-DLBZAZTESA-N	243.394	4.630	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)c1cc2ccccc2o1	696157470	JDJVTEAJFNITJD-CYBMUJFWSA-N	245.366	4.520	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@]1(C)C[C@H]1C	704382840	NBYLDFWTTQMDGM-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@](C)(N)CCC(C)(C)C)C[C@H]1C	704851176	CTDWNTIQZCYSOC-NYTXWWLZSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CC2CCCCC2)C1	704887728	GTSWDJKDNKUSTO-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)C1CCCC1	704965577	DMLKCWBZZPYECL-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CC[C@@](C)([C@@H](N)CCC(C)(C)C)C1(C)C	710768605	RNLYIILJQRBFQZ-WWGRRREGSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C\CC[C@H]1CCOC2(CCCCC2)C1	713646959	ROXYBVVXROEQEN-JZIMQPMSSA-N	234.383	4.638	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)C1CCC(CC)CC1	713749357	VMJWWZDJXYGWPS-LPRSTGIPSA-N	249.442	4.703	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CC[C@@H]2CCCC[C@@H]21	714303483	KGSMTYMIMORNQP-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1CCCCCC1(C)C	718591035	WCJRPCHIHRDOHD-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)CCCc1ccccc1	718605327	MOLMMKMXBJTVPF-QGZVFWFLSA-N	246.394	4.507	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccc(C3CC3)cc2)C[C@H]1C	821905870	JIWCWFYJEIGHRQ-XNJGSVPQSA-N	243.394	4.801	0	10	BJAE	
C1=CCC(CC[C@H]2C[C@H]3CCC[C@H]2CC3)C1	1901145316	RHYXSQHWJOVTLS-JYJNAYRXSA-N	218.384	4.949	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1(C)CCCCC1	1905373071	CCWILPHMAUNPSE-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H]1CCC(C)(C)CCC1=O	1910791725	BKLQGCCIUGXFSN-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@@H](C)C1CCCCC1	1910808755	AVDBTTFQFDPGMY-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)CCCCCC1(C)C	1910822455	SMWVERAJTFSEPT-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC=CC[C@@H](CC)c1cc(C)c(C)cc1F	1912122245	CLOZIFBOINQAPJ-CYBMUJFWSA-N	220.331	4.902	0	10	BJAE	
CCCCC[C@H]1CCCCCCCCC1=O	1913390997	TWIRXBDQOAPMRT-AWEZNQCLSA-N	224.388	4.886	0	10	BJAE	
CCCC=CCNc1ccc(Cl)cc1Cl	1914665194	BAJYJEMXSNQQKV-UHFFFAOYSA-N	244.165	4.762	0	10	BJAE	
CCCCCC[C@](C)(N)CC1(C)CCCC1	1920193882	NGCFARWZXCWTQP-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CC(C)CC[C@@]1(CNC2CC2)CCCC12CCC2	1921608994	AULZDIOTBGHRIB-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C[C@H]2C=CCCCC2)c(Cl)c1	1925870154	PMQMIYLFOWIFDE-ZDUSSCGKSA-N	234.770	4.937	0	10	BJAE	
CCC(CC)C[C@H](N)c1cccc(CC(C)C)c1	1926384094	PZTPEAROGHWXFQ-KRWDZBQOSA-N	247.426	4.711	0	10	BJAE	
C[C@@H]1CC(CCC2CC=CC2)C[C@@H](C)C1	1929817273	DKPCSDBNNHSURA-STQMWFEESA-N	206.373	4.805	0	10	BJAE	
Clc1ccc(Cl)c(C[C@H]2C=CCCC2)c1	1932606826	LOWOLZHDPFEQSO-JTQLQIEISA-N	241.161	4.892	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)CC1(C)CCCCC1	1940407061	HYEZMXOOXXUVNI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@@H](N)CC[C@@H]2CC2(C)C)CCCCC1	1940861453	CVOGYPOUYXYYBY-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCC[C@@H]1CC1(C)C	1940876277	LIWCXQFVXLRWBK-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](CCC1=CCCCC1)NC	1941262825	JMCTYGIBYKCKLM-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCCC2CCC2)CC1	1941460847	DEXAEGWTNWCBAG-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CCCC2CC2)CC1	1941583762	IPYYJFNSGODGSB-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)CC(C)(C)C	1941586832	MZWQINBQOZEJLD-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N[C@H]2C[C@@H]3CC[C@@H]3C2)cc(C)c1Cl	1941958148	KUGRZVTUERAPTM-DABQJJPHSA-N	249.785	4.557	0	10	BJAE	
C[C@H](C[C@H](N)C1(C)CC(C)(C)C1)CC(C)(C)C	1941980464	RLNXHUAVQFUAFG-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NC(C)(C)C1CCCCC1	1945382531	PCKFHBALBCYPJT-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(O)CCC1CCCCC1	1947514690	HIAUZYFIIBXDCL-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@]1(N)CCCCC12CCC2)C(C)(C)C	1947897026	VVURRBZXWMPYLM-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(CN)CCC[C@@H](C)CC1	1950924867	OJDJQOXDIOIXAN-PMPSAXMXSA-N	239.447	4.604	0	10	BJAE	
CCNC[C@]1(C[C@@H](C)CC)CCC[C@@H](C)CC1	1950930583	PZJWZLVGYOJQCI-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C)CC2CCCC2)C1	1963183312	UTJHBHDVTWDKSF-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CNC[C@]1(C)C=CCCC1)C1CCCCC1	1967837127	MXQSRHMVHZBLQW-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@H](C)NC1CCC2(CCCCC2)CC1	1968368447	KUIKTWOLSLLQPN-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](Nc1ccc(CCF)cc1)C1CCC1	1970103211	XSMWYQWMLZYKOK-MRXNPFEDSA-N	249.373	4.579	0	10	BJAE	
C1CCCCN(CCCC2CCC2)CCCC1	1970125567	KTNPKFAWEKQQSN-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)C1(C)CCCCC1	1975576113	VVHQRRYALZYRPK-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCCC(O)(CCC)[C@H]1CCCC(C)(C)C1	1978327963	GPBIYZQPNMEVBB-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCCCCC(=O)c1cccs1	1980687095	JKIHNRCDOOKVQY-UHFFFAOYSA-N	238.396	4.927	0	10	BJAE	
CC1(CCC(=O)c2cccs2)CCCCC1	1980692762	QAIJJWSEOBYIMK-UHFFFAOYSA-N	236.380	4.681	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCCCC1(C)C	1984590348	ATHOKHTXFGQITM-IHVVCDCBSA-N	222.372	4.518	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)c1cccs1	1986949258	WITNSPDPNJVESD-CHWSQXEVSA-N	239.428	4.614	0	10	BJAE	
CCCCC[C@@](N)(CC)C1CCC(C)CC1	1990089875	REDFFQQUCJSOJO-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@](C)(N)C[C@H]1CCCC(C)(C)C1	1994028428	COYPNAVBSZMYDV-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCN([C@@H]1CCC2(CCCC2)C1)C(C)(C)C	1995898046	HDVFEEDRPIJLLQ-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@H]1CC[C@@H](C)C1	1996271932	SZHYGRFMFFYMNA-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCCNCC(CC)(CC)C[C@@H]1CC[C@@H](C)C1	1996273115	YFIQDUGQDUQXKM-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC[C@H]1C)C1CCCCC1	1996586641	REQUBHCJWFZVNR-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
Cc1csc(CNc2ccc(C3CC3)cc2)c1	1996654543	IZGOAIDZQLYMOY-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H]1C=CCCC1	1998376445	CRPTVSBBZHLFNL-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](O)C2(C)CCCCC2)C1	2000040393	DFWNUDNAYZBXQV-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@H]1C=CCCCC1	2000484609	SOJXJGLAQPXZJG-JKSUJKDBSA-N	237.431	4.668	0	10	BJAE	
CCNCC(CC)(CC)C1CCC(CC)CC1	2000500697	XGZWLMFDBHBKGS-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](CC)(CN)[C@@H]1C=CCCCCC1	2000502717	PRLANKOSWPYHBT-CVEARBPZSA-N	237.431	4.668	0	10	BJAE	
CCCC[C@](C)(CNCCC)CC1CCCC1	2000509440	PEBAVSBOMGLSAM-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@@]1(C)C=CCCC1	2003335151	QUWQCJCIGJHJFO-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H](O)C[C@H](CCCCCC(C)C)C1	2006645309	OMXIIZQYTRILMT-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CC1=C(C)[C@](N)(CCCCCC2CC2)CCC1	2006961927	ODOUZFWVEFQROT-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC1CC(C[C@]2(N)CCC[C@@H](CC)CC2)C1	2007747836	XLJQSHDALPCRJU-LMPOIIKSSA-N	237.431	4.501	0	10	BJAE	
CC=C(C)[C@H](C[C@@H](CC)C(C)(C)C)NCCC	2007857411	CAOQLMWUAJRHAI-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCCCCC[C@@](C)(O)C1CC(C2CCC2)C1	2008373255	NGRANNPLUVRMRD-UYSNPLJNSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCN(C)[C@@H]1CCC[C@@H](CC)CC1	2009567029	LPJKCBHBYSFDLK-HZPDHXFCSA-N	237.431	4.633	0	10	BJAE	
CCCC1CC(Nc2ccc(C(C)C)cc2)C1	2009715987	MCHAAKZVGCQSPJ-UHFFFAOYSA-N	231.383	4.801	0	10	BJAE	
C[C@H](N[C@H]1CCCCCC12CC2)c1ccsc1	2011273176	ZEDSMAASDZRNET-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
C[C@@H](NCCCC1CCCC1)C1(C)CCCC1	2014339946	OPPKTFBGINBUCL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)C[C@@H]1CCC=CCCC1	2014845411	FHYDHVMNVCTXHL-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@@H](C)C[C@](C)(N)[C@H]1CCCC(C)(C)C1	2015410845	DWBMADSTAAHEDN-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CCCC[C@H]2C)CCC1	2015636410	XEUUTNYVUIXNHA-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CC[C@H](CC)C2)CCC1	2015641335	CQKKZJCGDYPTEW-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1(CC2CCC2)CC1	2015793699	PYFOBJUDQCDKGM-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CNc1ccc(C(F)F)cc1)C(C)C	2016108308	CMUDSLBONAKEIM-LLVKDONJSA-N	241.325	4.718	0	10	BJAE	
CC1(C)CC(O)(CCC2(C(C)(C)C)CCC2)C1	2017121866	UMCXQNKYRHPLAT-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2CC[C@H](C)CC2)c1	2017774876	UVKKSBPWBRJSDF-NNUKFRKNSA-N	232.367	4.509	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](CC)c1ccco1	2018075792	XAGKCHNKVMWYQV-KBPBESRZSA-N	237.387	4.679	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@]12CCCC[C@H]1C2	2018572947	GGAOMLOILVSNPG-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)CC1(CC)CC1	2018995613	PMGBFGIGWKAPJX-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCCCCN(C)C[C@H]1CCC=CCCC1	2019939406	TWPCYKXIHIZXEN-INIZCTEOSA-N	237.431	4.635	0	10	BJAE	
CCN[C@@H](CCCCC(C)(F)F)C(C)(C)CC	2023277593	AQUJDMXAMSUEIN-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C)[C@H]1CCCC(C)(C)C	2024510413	YACNCJOCRJXWIM-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(CN2CCC[C@H]3CCCC[C@@H]32)CCCCC1	2027276846	WRJKAXZQTZGZLN-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](NC)c1ccccc1C(C)C	2027518754	VOWXICNIJUGLNM-JJRVBVJISA-N	247.426	4.753	0	10	BJAE	
CCCC[C@H](CC)NCc1ccccc1CCC	2027905108	FPTIYUYKXBYHPH-KRWDZBQOSA-N	247.426	4.698	0	10	BJAE	
CC1(C)C[C@H](NCCC2CCCC2)CC2(CC2)C1	2030286670	DWGHPESSIPLPGF-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)c2cccc(C3CC3)c2)C1	2033392819	BWVBLFIKHFBZPY-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
C1CCCC(NC2CC(C3CCCC3)C2)CCC1	2033763585	BCZNWWNJNLANMT-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCC1)C1(CC(C)C)CCCC1	2035599554	NFNSLVNGHBCLTO-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
Fc1cccc2c3c([nH]c12)C[C@H]1CCCCC[C@@H]31	2035859795	CYNGERJSTXVIAO-GHMZBOCLSA-N	243.325	4.527	0	10	BJAE	
CC1(C)CC[C@@H]([C@@]2(N)CCCCC23CCCC3)C1	2037577221	HQNPPUKTRMABNX-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
C1CCC2(C1)CC[C@@H](N1CCCC13CCCC3)C2	2037683684	UPTDXIPVBQUUAR-OAHLLOKOSA-N	247.426	4.508	0	10	BJAE	
CCNCC1(CC2CC3(CCC3)C2)CCCCC1	2038080374	GNTMREQYMVWOSM-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@H]2CCC23CCC3)CC1	2039387023	VOGRWTKJQRTXGG-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CC[C@H](C2)C1)C1(C)CCCCC1	2039845902	GYSWXFNVKNUBOY-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CCCCCc1ccc(NC[C@H]2C[C@H]2CC)cc1	2042330113	DESVYWGTXBUNKR-HZPDHXFCSA-N	245.410	4.877	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1CCC=CCCC1	2045329320	MYZXHRGCBJJGAR-MRXNPFEDSA-N	243.394	4.852	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@H]1CCCC(C)(C)C1	2045395946	BYRAPEONKBDVDO-ZFWWWQNUSA-N	249.398	4.537	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)C1(C(C)C)CCC1	2045719088	OJQDAESSANPGIP-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
N[C@@]1(C[C@@H]2CC23CCCCC3)CCC=CCCC1	2047005994	XKTGHVUMYRHVRW-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
C1CCCC(CN[C@H]2[C@H]3CCCCC[C@H]32)CCC1	2048385947	SFNUZPKNPCIPCR-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1[C@H]2CCCC[C@H]21	2048440182	VCLPVGWMGYIJRM-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](CN)([C@@H]2C=CCCCCC2)C1	2049491615	AYKMXXSOSCIFAJ-NVXWUHKLSA-N	249.442	4.668	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)CC1(C)CCCC1	2049805334	XRMMCNHMNIMULX-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@H]1CCC2(CC2)C1	2049844634	CEEKTVUUZNMYFA-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC1(NCC2CCC3(CC2)CC3)CCCCC1	2049853330	HDFJFUWAEVCXJA-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@@H](C(C)(CC)CC)[C@@]12C=C[C@@H](CC1)C2	2049993377	WBYNOLYWVNEEGM-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@]1(C)C=CCCC1	2050000054	JPEPMMYHDDCQKB-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
O[C@H](CC1=CCCCCCC1)c1ccccc1F	2050449306	MHRHUOLRIKRCQL-MRXNPFEDSA-N	248.341	4.530	0	10	BJAE	
C[C@@H](Nc1cccc2c1CCCC2)C1(C)CCC1	2052347829	GHFHHFWMMGZUMI-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
CN[C@H](c1ccccc1)C1(C)CCCCCCC1	2052476531	XKVIUYXZQZVXLH-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CC(C)(C)C1CC(C[C@]2(N)CCCCC23CC3)C1	2053307583	POCDCLCLNQHUOR-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCCC12CC2)C1CCCCC1	2053315099	KORWGJJBGWFMJL-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@H]1CCCCC12CC2	2053417712	FTZMXYBGDMQVLY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC1(CNC[C@@H]2CCCCC23CCC3)CC1	2053434380	RBFWNLVZWQLQOM-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1CC2(CCC(N)CC2)C1	2056617710	WCGKSWSJQKQOSC-MOINJDMASA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC[C@H](N)C1(C2CC2)CCCC1)C1CC1	2057605966	IQHKOLREDOOOFE-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@]1(CCC2(C)CC2)CCCC12CCC2	2059175110	ZTPQYUOFYOPPHW-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCCC1CC(N[C@@H](C)c2cc(C)ccc2C)C1	2059391745	HEPXAUXHZIWZKL-FHERZECASA-N	245.410	4.533	0	10	BJAE	
CCCCC1CC(NC[C@H]2C(C)=CCC[C@H]2C)C1	2059492220	NNJFOTJFZVUHBN-VXLLPVPCSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C1=CC[C@H](C)CC1	2060920024	BAKMTXMXTFRMDP-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CCC[C@H]1C1=CC[C@H](C(C)(C)C)CC1	2061149550	DPNSSZFXEJFGQM-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C(=O)CCC[C@@]23CCC[C@@H]2C3)c1	2061596981	PFOZZHWWXMCKTD-NVXWUHKLSA-N	242.362	4.538	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2CC(=C3CC3)C2)CC1	2061666479	ZYRSBRPSHGSMKT-SUMWQHHRSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)[C@H](N[C@H]1CCCCCC12CC2)C1CC1	2062018506	DZQFPUUILUYOBU-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC1(CNC2CC2)CCCCC1	2062652392	OGDKYSIMUBICPE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC(CC3CCC(C)(N)CC3)C2)C1	2063204380	PBOPKGFJPCXLKU-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1	2063471240	JQLICIIEMXGJFP-MUJYYYPQSA-N	243.394	4.542	0	10	BJAE	
CN(CC12CCC(CC1)CC2)C1CCCCCC1	2065338022	DLCRWUMVTCQUEK-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCC[C@H](c2ccccc2C2CCC2)N1	2066376233	RTWHIIKQLMTXLC-WMLDXEAASA-N	243.394	4.547	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)C)c1ccccc1C1CC1	2068820293	PZUDLQODIUVRJN-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CC23CCCCC3)CC1	2069506015	WKUDAUYNEIJPKV-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)C[C@@]12CCC[C@@H]1C2	2070967042	LYFVOTODWOANBJ-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CC[C@@H]1C1CCC1	2071794943	PTIZVIJZWZGEJG-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNCC(C)C)CC=CCC1	2072408354	FLQOFSWAWPYHNE-QGZVFWFLSA-N	249.442	4.705	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2ccc(C)c(C)c2)CC1	2072793306	JAEZUBFYPGRQNE-WKILWMFISA-N	245.410	4.932	0	10	BJAE	
CCC1CCC(CC2(N)CCC3(CC2)CC3)CC1	2072806996	QXZLVPJHMCTXPF-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCNCC1(C[C@@]23CCCC[C@H]2C3)CCCCC1	2074032956	IHFOQBZKUQPORL-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@@H]2CCCCC23CC3)C1	2074891149	FFRAGVADNLGPPO-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCCC12CCCCC2	2074899985	OAAOZKPUNCTRRK-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2[C@H]3CCCCC[C@H]32)C1=O	2076450541	NSNYUHZBVWRRBE-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CCCCC1CC(Nc2ccccc2C2CC2)C1	2077262986	HITJAEPAYADSHZ-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccccc2C2CC2)[C@H](C)C1	2077264666	YEEGIURGAUZWMI-XJKCOSOUSA-N	243.394	4.801	0	10	BJAE	
O=C(CC1CCCCC1)[C@@H]1C[C@H]1C1CCCCC1	2079491245	HYAZNMAQOPLZHE-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@@H]2C[C@H]2C(C)C)cc1	2079551744	ACDVGUYNRMLYMU-YESZJQIVSA-N	246.394	4.526	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H]1C[C@@H](C)c2ccccc2N1	2079669074	FAJDZJNJTPUFJJ-KBUPBQIOSA-N	243.394	4.801	0	10	BJAE	
CCN[C@@H](c1cc(C)cc(C)c1C)[C@@H](C)C(C)C	2082920850	CAJILRXCAIZGLB-WMLDXEAASA-N	247.426	4.555	0	10	BJAE	
CCCC1(C[C@@H](N)c2cc(C)cc(C)c2C)CC1	2082926027	QGUFWFWDVUGODF-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)CC2(C)CCCC2)c1	2082941108	CEGYIIOGPFAWJX-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(CN)CCC23CCC3)C1	2082989947	DRVMVEVELATESQ-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
Cc1coc(C)c1[C@H](N)C[C@H]1CCCC(C)(C)C1	2082991230	ONOWGRHUUZIGEH-ZIAGYGMSSA-N	249.398	4.503	0	10	BJAE	
CC(C)=CCC(=O)CC1CC2(C1)CC1(CCC1)C2	2083605668	JEABRIATPLNSML-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC1(C)C[C@@H](N[C@@H]2CCCC23CCCC3)C1(C)C	2084441675	KTWMVIQMGVFZTH-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)[C@H](N)CCCCCCC1CC1	2210526874	KMXBIUNTBJWRQU-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1scc(C)c1C	2210562078	FVDCXTYIKIEKAO-LBPRGKRZSA-N	238.396	4.620	0	10	BJAE	
Cc1csc(C(=O)[C@H]2CC23CCCCC3)c1C	2213641345	NZZFNABQXMCXSI-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2(C)CC(C)(C)C2)C1	2215383901	COQVHBPPGXAPIB-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(CC1(C)CC(C)(C)C1)C1CCC1	2215393267	KXZOABBEDOVAJM-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](NC[C@H]1CC=C(C)CC1)c1cccs1	2215837613	YDQRGDCNFIEEPP-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
CCCCCC[C@@]1(O)CCC[C@@H](C(C)(C)C)C1	2216252453	KFMRMFAYSJIITC-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CCCCN1CCCCCCCC1CC1	2216878216	UBVUILFPGIKGCP-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)C[C@@H](C)C(C)C	2217125820	RSMZTQDJKGUOLH-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)C[C@H](CN[C@H](C)CC)CC(C)C	2217137083	BCQQUURTVQXWOB-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NCC(C)(C)C[C@@H](C)CC(C)(C)C	2217137323	BIYGVZQALDGLLY-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)NCC1(C)CCC(C(C)(C)C)CC1	2217139927	UQFWAULUUYUISP-VQCLRJIVSA-N	239.447	4.617	0	10	BJAE	
CN(CCCCCCC1CC1)c1ccccc1F	2218733894	YLSGDYYMEMFHAW-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@H]1C1CCCC1)C1CCCCC1	2220303885	WCIHIOHBTWRFBO-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccccc1NCCC1CC(F)C1	2220646892	LVNXYQYIURTUGG-UHFFFAOYSA-N	249.373	4.534	0	10	BJAE	
CC(C)c1cc(N[C@@H](C)C2CCCCC2)ccn1	2220884125	YWSSSUNDZGWVPY-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@]1(C)CC=C(C)CC1	2221642571	HFBNOZDJCPVYBL-INMHGKMJSA-N	248.410	4.908	0	10	BJAE	
C[C@](N)(C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCC1	2222956142	ZLWVMNSNXNIXLZ-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC2CCC2)CC=CCC1	2223553679	XJPOISPREIVGIM-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCCC1C2CC3CC(C2)CC1C3	2245909327	GDBWXARIQXBVIO-NSCUHMNNSA-N	218.384	4.805	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC2(C)CC(C)C2)CC1	2246445051	AISOLPVJOIYSGX-BHDPWAOGSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC1(C)C)CC(C)(C)CC	2247305116	ZDIPIIOIEXENMI-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)Nc1c(F)cccc1CC	2248102754	RAYUKYDJLFAEOV-CYBMUJFWSA-N	237.362	4.769	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CCCCCCC1CC1	2250371751	NDFVBHWJZGKKJY-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
CC(=CC[C@@H](C)CCCC(C)C)[C@@H](N)C(C)C	2250478466	JIZGWRQGAKYXGB-HOCLYGCPSA-N	239.447	4.769	0	10	BJAE	
CC1=C[C@H](O)[C@@H](CC[C@@H](C)CCCC(C)C)C1	2250479200	QXUUVSUBSJADID-BPUTZDHNSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCCC[C@H]1N	2250513053	DAEXLROWKROTKD-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCCC(N)(CCC)C[C@]12CCCC[C@@H]1CC2	2251212701	SRHGIIRSMFLRIM-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@@H](C)C(=O)CC1CC(CC(C)(C)C)C1	2251587507	GXOZWNSYHQGVRQ-IYXRBSQSSA-N	238.415	4.700	0	10	BJAE	
CN[C@@H](CCCC1CC1)C[C@H]1CCCCC12CC2	2253821098	QUWMVLNPBZPRTD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@H]1CCCCC12CC2	2253824511	TXLUWGOLMFMXIL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2CCCCC23CC3)C1	2253826069	ZLTUTGQNUWGYAP-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1(N)CC2(CCCCC2)C1	2254604673	JXGNYSQOTPPQBV-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCCc1ccc([C@@H](O)[C@H](CC)CCC)cc1	2259445500	VNFRSILUJQCGNY-WBVHZDCISA-N	248.410	4.889	0	10	BJAE	
Cc1cccc(C(=O)CC[C@]23CCC[C@H]2CC3)c1	2260576368	YVXFFDOAXZDRNK-DOTOQJQBSA-N	242.362	4.538	0	10	BJAE	
Cc1cc(F)cc(NC[C@@]23CCCC[C@H]2CC3)c1	2260628518	SWFNMZBGUBZAQY-BBRMVZONSA-N	247.357	4.516	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H](O)CC1CCCCCC1	2298918765	YREVXPXCBSFLBH-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCc1cc(-c2cc(Cl)c(C)cn2)ccc1C	2299621669	LYIGBDQSPNTIQR-UHFFFAOYSA-N	245.753	4.581	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)CC=C(C)CCCC(C)C	2300935962	ADIRRNCQADUCIV-ZBFHGGJFSA-N	240.431	4.946	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H](CC1CC1)C1CC1	2303792039	LMWKGBAOEAZHCE-HNNXBMFYSA-N	249.785	4.639	0	10	BJAE	
CCC[C@H](CC)CN1CCC(C(C)(C)C)CC1	2307749753	NNOANILWDIVPSP-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1CCC[C@@H]2CC[C@H]12	2309517659	ITRNQFGPIGHJHT-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@@H]1C[C@H]1C(C)(C)C	2311511907	KYEFBPDABUAPAC-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@@]12CCCC[C@@H]1CC2)C1(CC)CC1	2313320983	FADPFLFREQYJGQ-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCCN(C1CCCC1)C(CC1CC1)CC1CC1	2313607793	GAMGYGHEFJMGJW-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H](N)[C@H]1CCCCC12CCC2	2313701937	NGIKRPKJINCXFJ-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@H](C)c1ccccc1	2316504017	SSJDVBSQDHYNJC-RDJZCZTQSA-N	245.410	4.515	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CC12CCC(CC1)C2	2316531483	FWAZMTKQWDIINW-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
C1CCCC(CN2CCCCC23CCCC3)CC1	2316877273	CZNQYASZCIBDHB-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
C[C@@H]1[C@H](C(=O)[C@]23CCCC[C@H]2CCC3)CC1(C)C	2318284407	HIKNYALIXGHDBE-OEUWWYETSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cc(C)c(O)c(C)c1	2318434107	AKKWETIFZBEEKM-AWEZNQCLSA-N	247.382	4.556	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](CCCC1=CCCCC1)NC	2318575598	HAKPXQHNKPJIEH-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@@H]1C[C@@H]1C1CCCC1	2318878959	RAWORYJOLIMYQZ-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CCCCC1CC1	2318887072	BDFRTTDZFAOETB-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC(N)(CC[C@@H]2CC[C@@H]2C2CC2)CC1	2319741519	QGEOGFPWPYJJCV-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CC[C@@H]2C[C@@H]3CCCC[C@H]3CN2)CC1	2319777374	GEGDZEQLVKRIJB-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(N)CCC12CCCC2	2320259107	RBLLPKWVDLQKGV-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(F)cc1NCC[C@@H]1CCC(C)(C)C1	2321612889	GKSWIIQTQMJABU-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)c1ccccc1CC	2328282347	OJZLFNJNMBDYPJ-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCCc1ccc([C@H](C)Nc2ccccc2)cc1	19997113	CKTBOGWFQLNKOF-AWEZNQCLSA-N	239.362	4.812	0	10	BJAE	
Cc1ccc(C)c([C@H](C)NC2CCC(C)CC2)c1	20559315	UYYCZFHYGANYEI-NRAUKZCXSA-N	245.410	4.533	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@@H](C)c1ccccc1	21521006	OGMDLCZXUHZLCK-IJEWVQPXSA-N	233.399	4.552	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CCC[C@@H](C)[C@@H]1C	21795791	KSUCEWVVXRBTJW-ZVDSWSACSA-N	239.447	4.616	0	10	BJAE	
CCCCCCc1ccc([C@@H](O)CC(C)C)cc1	74370205	UZTRRZZRLBVYKV-KRWDZBQOSA-N	248.410	4.889	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1-c1cccc(N)c1	84054029	RWJSFYIKYDQSPZ-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
C[C@@H]1CC(CCC(=O)c2ccccc2)C[C@H](C)C1	84958261	PRIMCIJQFQYEEQ-YIONKMFJSA-N	244.378	4.722	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(O)CCC[C@H](C)CC1	86892577	KHFHXTABKNRZCC-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CN)CC[C@H](CC)C1	87998688	OAMXPYUEQYAMJH-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C2CCC(C)CC2)C1	93123235	TVBTTYGAIPHENV-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C1CCC(C)CC1	103929758	QMKJRTDBLYVJJU-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C(C)(C)CC)cc1	104046177	RVIQTDWHWZYVSZ-WFASDCNBSA-N	234.383	4.670	0	10	BJAE	
CCCc1cccc2c(Cl)cc(C3CC3)nc12	109693237	CILFDQGSNWMFEZ-UHFFFAOYSA-N	245.753	4.718	0	10	BJAE	
CC[C@H](NC1CCC(C(C)(C)C)CC1)C(C)C	109929380	ROLZSUVEBMQJHT-NRXISQOPSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@@H](C)Nc1nc2ccccc2o1	110383753	FVYOPOJHFSALLQ-GFCCVEGCSA-N	246.354	4.599	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)C[C@@H](C)C(C)(C)C	122990700	KJYGTNUMMBZLKZ-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@H](N)c1cc(Cl)cc(Cl)c1	125408037	CTDLQLFXTSLGEU-GFCCVEGCSA-N	246.181	4.574	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](C)c1cc(C)cc(C)c1	132615105	HOICIIAIHNMYTQ-HUUCEWRRSA-N	247.426	4.779	0	10	BJAE	
C[C@@H]1CC[C@@](O)(CCC(C)(C)C)c2ccccc21	137040718	YIVURKDRWCXRBM-CXAGYDPISA-N	246.394	4.598	0	10	BJAE	
CCNC[C@@H](CC(CC)CC)c1ccccc1C	149142612	FCQYSSQNJOPJQR-MRXNPFEDSA-N	247.426	4.514	0	10	BJAE	
CCCCC1CCC([C@@H](CCCC)NC)CC1	158300307	GVVREJSSBDDKPE-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](c1ccccc1C(C)(C)C)C(C)C	166643382	XVWMDWVMUGCPMR-INIZCTEOSA-N	247.426	4.681	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1cc(C)c(C)cc1C	168628557	XRGZTKJGRCRPIM-DOTOQJQBSA-N	247.426	4.828	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@@H]2CCC[C@@H](C)C2)c1	216351117	IEGZFDXNQUYHAG-DAXOMENPSA-N	245.410	4.533	0	10	BJAE	
CCN[C@@H]1C[C@H]2CCCCCCCCCC[C@H]21	227349205	WIIMFZBZHFZTGR-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)NC[C@@H](c1ccccc1)C(C)C	230954097	IBDQEOMFEKJHBE-MRXNPFEDSA-N	247.426	4.595	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCC[C@@H](C(C)C)C2)c1	230987653	DJOAVRATQPRMET-ZIAGYGMSSA-N	249.373	4.761	0	10	BJAE	
CCC[C@H](C)C1(CN)CCC(C(C)(C)C)CC1	233327365	HUHSMZNFUHLLHZ-HLIUYOAVSA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@H](C)CC)CC1	251333489	LMXQELFRKYXUQZ-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
Fc1ccc2c(c1)NCC[C@H]2C1CCCCCC1	258131101	YNBDZSHLYGOUCJ-AWEZNQCLSA-N	247.357	4.695	0	10	BJAE	
CCC[C@H](C)[C@]1(O)CCC[C@H](C(C)(C)C)CC1	300472238	YGIVFPIHBFPECU-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)CCC1CCCC1	300867494	MUXHUVQYNZVTLK-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)c1ccc(C)s1	300969410	RRAXOEPHZBMWRX-SMDDNHRTSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@@H](C)C(=O)[C@@H]1CCCc2ccccc21	302420353	QWCFMIUUFZOAMR-CZUORRHYSA-N	244.378	4.502	0	10	BJAE	
Cc1ccc(-c2nc(C(C)C)sc2C)cc1	302908606	GFMZQPZZLYCMIW-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
CCc1cc(N[C@H]2CCCC[C@H]2CC)ccc1C	306044871	SSOLMOMYZODXLW-PBHICJAKSA-N	245.410	4.938	0	10	BJAE	
CSc1cc2cc(C)sc2cc1Cl	306664564	XELFIVSHJFTLQJ-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCOc1cc(Cl)c2cc(Cl)sc2c1	306914276	UUQBQEBQTULSLJ-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCc1cc(SC)c2sccc2c1Cl	307429588	IZDXBYLMUWCVIS-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CCC1CCCC1	308031674	OUILNWPUYHRJCI-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](NCC)[C@@H](CCC)CC(C)C	308056054	PWKADMTYLYRKQJ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
C/C(=C/[C@H](C)C1CCCCC1)C[C@H]1CCCCN1	310758039	AGVAYBBNPWKHQE-KTWGLELUSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@@]1(CC(CC)CC)CCC[C@@H](C)C1	317213058	AVRGRNDZYFEXGT-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC(C)C)CCCC[C@H]1C	318045029	JNHMEEUQTASXNA-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@](CCC2=CCCCC2)(CNC)C1	318065796	VEVDZXDUAXEKGL-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CC[C@@](CC=C(C)C)(CNC(C)C)C1	318134821	XRCKDVGORMWLEO-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@]1(CNC2CC2)CC[C@H](C)C1	319127957	BMRUYPLGVWVEFP-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(N)CCC(C(C)(C)C)CC1	319649591	OXYBZLISFLZOPR-NNNQGMHWSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@@H](C)c1ccc2c(c1)CC[C@@H](C)N2	320277355	ZKSRGPOPUSMLOC-YNEHKIRRSA-N	231.383	4.583	0	10	BJAE	
CC[C@@H](N[C@H](CC)C1CCCC1)C1CCCC1	382774889	BDVAITOWSXPMPF-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C(=O)c2ccc3ccccc3c2)CC1	385115332	QWEGUGAFMFKQAD-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(C(C)(C)C)cc1	385358262	IMZVRXAQCWAPNM-ZDUSSCGKSA-N	246.394	4.993	0	10	BJAE	
CCCOc1ccc(NC[C@H](C)C(C)(C)C)cc1	385372734	CSUIZWOKTGFJKK-ZDUSSCGKSA-N	249.398	4.570	0	10	BJAE	
Cc1cscc1N[C@H](c1cccs1)C1CC1	387365497	VNOPFNVYSGAEFF-ZDUSSCGKSA-N	249.404	4.681	0	10	BJAE	
Cc1cscc1N[C@@H]1C[C@@H](C)c2ccccc21	387365518	VNULDYYOWORMHC-QMTHXVAHSA-N	243.375	4.717	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)c1ccccc1C	391119705	ARHSTPSQOVDIMR-HNNXBMFYSA-N	247.426	4.862	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C(C)(C)C(C)(C)C	394499750	LZHCXFYEWZTZGZ-GFCCVEGCSA-N	226.404	4.700	0	10	BJAE	
CC/C(=C/[C@@H]1CCC[C@@H](CC)C1)CNC(C)C	394514391	LOCDHWAKDOZOGT-IAEXBKMXSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C)C1(CCCCCC(C)C)CC1	394767747	RKABSJFIOZDXJT-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCC12CCC2	394777011	ORRDAVLPMMDJHX-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCC(CC)(CC)CC)[C@@H]1C	395215335	JWUDVPJBNHYSFF-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CCC2=CCCCC2)C1	395329416	QYZBYZFQBBZLFT-WBVHZDCISA-N	249.442	4.812	0	10	BJAE	
CCOc1csc2cc(CC)c(Cl)cc12	396187799	JCNURCHGEKZYIR-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CSc1c(C(F)F)cc(F)c2sccc12	396234984	HENQNUBWWNWRSD-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1c(C(F)(F)F)c(F)cc2ccsc12	396303235	SXVFTGVGZIXRJK-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@@H](C)C2CCC2)Nc2ccccc21	398680034	XKZKANRYOVNBIB-UMVBOHGHSA-N	243.394	4.801	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1CC[C@H]2C[C@H]2C1	403847642	ROXIGYDSTUPMDT-QLFBSQMISA-N	243.394	4.658	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)CCC1CCCCC1	691185028	KHEHGTZYEJKJLF-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@H](NC)C1CCC2(CC1)CC2	695579872	MSTFKCDQPVZHON-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCC=C(C)C)C[C@H](C)CC(C)(C)C	697759046	PCACWADLDIWDJS-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)C1CC(C)(C)C1	701447725	XAGMGPGTXHHLJZ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C(=O)c2ccc(C3CCC3)cc2)C1	701498468	WSHNENZKGKRXOL-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CCC(C)(C)C1N[C@H]1CCC12CCCC2	703922982	RZAWEHKFCAXWOE-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Oc1ccc(C(C)(C)C)cc1	704925473	LBJJXBVWKPCFIN-BBRMVZONSA-N	246.394	4.942	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)C[C@@H](C)CC(C)(C)C	709190719	SHBMJPNCJXNELF-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC[C@@H](C)CC(C)(C)C)CNC(C)(C)C	709191910	UVEAWLMSYROGFG-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(O)(C[C@H](C)CC(C)(C)C)C1	709260646	OKKGUVXHMMMMCX-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccccc1OC[C@H](C)C(C)(C)C	711236490	ZREDMCOLSVWNAC-ZDUSSCGKSA-N	234.383	4.871	0	10	BJAE	
CCCCCCN[C@@H](C1CCCC1)C1CCC1	711833459	QVEANSCEXSCOAU-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](N[C@@H](C1CCCC1)C1CCC1)C1CCC1	711864293	PWZHBEWCLSZJHI-IRXDYDNUSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C[C@@H]2CCCC[C@H]21	712499928	ATBVVPPEGCPTRP-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@H]2C[C@H]2C2CC2)CC1	712900549	XHVWWIPQPRIPQF-HOCLYGCPSA-N	248.410	4.598	0	10	BJAE	
C/C(=C/CCNCC(C)C)CC(C)(C)C(C)C	713132913	LBMACZLIPOZKEJ-DHDCSXOGSA-N	239.447	4.641	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)CC(C)(C)CC	713191944	CVVKMTGGYPTDMB-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CC[C@H]3CCCC[C@H]32)C1	714315191	YEAPLFWFKDWGNU-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CC(C)NCC1(C2CCCCC2)CCC=CCC1	718081460	BJTOFNJNUSOHHP-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCCC(C)=C(C)C)C(C)C	718652527	NBVOFVWLCHURIP-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CCC[C@H]1C[C@H]2CC[C@H]1C2	718773411	PEUDEFPLSYDKHO-ILXRZTDVSA-N	206.373	4.949	0	10	BJAE	
CC[C@@H](C)S[C@@H]1CCCc2ccccc21	1307292255	FPESJUHBPDIHDV-BXUZGUMPSA-N	220.381	4.596	0	10	BJAE	
CC[C@H]1CCCCCN1CC1CCC2(CC1)CC2	1559552833	MNKNEXOFZVHWSC-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CC)C1CCCC1	1905362788	ROQPSHJDBPNDNF-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](C[C@H](CC)CCC)NCC	1905444200	KWLLBYIWNPMHBQ-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC(C)=CCc1cc(C)cc(C(C)(C)C)c1O	1906985932	GSYUQPQWWUCVAL-UHFFFAOYSA-N	232.367	4.507	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@]1(O)CCCC(C)(C)CC1	1908554731	GQBOAPPWINOUDN-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](NCC)C(C)(C)CCC	1910733767	HIULBUBDDDXIKQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@H]1CCCCCCCC[C@H]1O	1913398034	LXXFCZSTXJPPMU-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](NC[C@H]1CCCC12CCC2)C1CCC1	1921615191	KSUGDOZTGBZLQQ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H](C)C1CCCC1)CC(C)(C)C	1924085721	GWTYHUIEACYWQX-IPYPFGDCSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@@H](C)C1CCCCC1	1924139480	QHQQWJXQTSYEII-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC1(CCC[C@@H]2[C@@H](CN)CCCC23CCC3)CC1	1924799554	VUKHQSRVCJQFQL-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CC2CC(C)C2)cc1	1925131665	PDKILMKNBWSGND-MOKVOYLWSA-N	244.378	4.819	0	10	BJAE	
CCC[C@@H](C)C(=O)[C@H]1CCCC(C)(C)CC1	1939899329	KLODYTGACCFPPW-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)C(C(C)C)C(C)C	1940246152	NZIHDGMVLWOWPZ-SOUVJXGZSA-N	241.463	4.717	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)C(C(C)C)C(C)C	1940252177	IDCHSYJAODQMRY-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC(C)C1CCC(O)(CCCC2(C)CC2)CC1	1940869455	LKUIZDMFIGSXTO-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@](C)(N)C1CCC(C(C)(C)C)CC1	1941144267	KTNKTGRWNWQVFE-USPMSXPRSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC(C)(C)CC(O)(CCC2CCC2)C1	1941470032	KTVBMFSPKNFZJN-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](CC(C)(C)C(F)F)NCC	1941595284	OIDDMNUTKVDRTJ-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)C(C)(C)C(C)C	1944660535	JEXLVHJPCZFBRI-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
Clc1ccccc1N[C@@H]1CC[C@H]2CCCC[C@H]21	1946343118	VUIQBSULTFPPPD-YRGRVCCFSA-N	249.785	4.721	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CC[C@@H](C)[C@H]1C(C)C	1947509775	IXOHWAMEAGFRNW-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
CCC1(C)CC(C(=O)CCC2CCCCC2)C1	1948407677	SEBBFTUZXNCJCV-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H](CC2CCC=CCC2)CC1=O	1949657120	YCHHQTFMRZQIAQ-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CC1(C[C@H]2CCC(C)(C)[C@H](O)C2)CCCCC1	1949675811	DADUTGSZQPHVRB-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCCC(=O)CC1CC2(CCC2)C1	1949741122	ACSHDOCEJONSMM-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCCC[C@H]1C)C(C)(C)C	1949829844	DHSKRPZXECVBQW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCC[C@H](O)CC1CCCCC1	1949926876	QZCQIBSZPIMQTE-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@H]1C(C)=CCC[C@H]1C	1950968569	LRWCGGLYBMYEGY-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCCC23CCCC3)C1	1963182468	LVOAUPRQBKMWPZ-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@H](C(C)C)C2)ccc1F	1963197788	SNAXJFAZKPONHH-UONOGXRCSA-N	249.373	4.625	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CC(C3CCC3)C2)CC1	1966048685	OFQSMDVGJJUBAX-PXZKZTPFSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc(CC)c(C)c1	1972025374	ZVRZKOVACGLSPQ-DOTOQJQBSA-N	245.410	4.938	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2cccs2)CC1	1976342742	PXWPGPOZGXDIAS-NEPJUHHUSA-N	236.380	4.537	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCCC[C@H]1CC	1978423276	MEHVGQQPXJHJKW-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)CCC(C)C	1981289411	LJTYMYUWBMZXJO-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H](C)C2(C)CCC2)c1	1981367687	BFUCYCXCTPNSAO-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@H](NCC)c1cscc1F	1982841992	OBIVAZVGEFIUEU-ZDUSSCGKSA-N	243.391	4.508	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(O)C1(C)CCCC1	1987589527	CLCWKGSMDXORDB-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(N)cc1-c1cc2sccc2s1	1994738522	MFHJGNQFUAFXNW-UHFFFAOYSA-N	245.372	4.520	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCCC(C)C	1995262491	NSBCCJQCRGORDD-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CC[C@H](C)C2)CC1	1996272661	WHKOTCQBKJVMOG-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1[C@@H](C)[C@H]1C)NCCC	1998556191	LSHKZAGCFPDCOM-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)C1CC(C)(C)C1	1998648243	CIXJSFARZGBJKI-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H]([C@H](C)C(C)C)C(CC)(CC)CC	2000388265	RWBUQLJKDVAGIZ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@](C)(CCCC(F)F)CNC(C)C	2000513991	VNNKGZPCISAHFA-AWEZNQCLSA-N	249.389	4.616	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C[C@@H]1CC12CCCCC2	2001212856	CAMIEMWITHVPJU-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002221258	PQBONEPMBOAKMQ-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H]1CCCC(C)(C)C1	2002993158	IUDMCGBAYZHSRT-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)CCCC2CCC2)C1	2002997385	CGCHJZNCQASFSD-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)[C@H]1CCCC(C)(C)C1	2003025777	ZUPYVFCEOUVOQN-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
C[C@H](CNC1CCCCCCCC1)C1CCC1	2003100788	RPDWJLPSSLPUJV-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1CCCCCCC[C@H]1O	2003112727	XOEJBLDHSLLXCV-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCCNCC1(C)CCCCCCC1	2004936498	ADNZRUOOZMRFCR-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCCC=CCNCC1(C)CCCCCCC1	2004941704	JYDAGTLYLWQDFA-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)[C@@H](C)CCC	2007748820	HCIODYBYGWMCAV-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@H](N)C2CCCCCCC2)C1	2007812775	PWVCTIFAJFPDFQ-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@H](F)C1CCCCC1	2008755697	YXUVSQRPWWZPAK-CABCVRRESA-N	243.410	4.593	0	10	BJAE	
CCC(F)(F)CC[C@H]1CCC(C)(C)CCC1=O	2009404240	LTFHTQYODRYHHJ-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CC[C@@H](N)[C@H](CCC2CCCC2)CC1	2009405342	YEBLYDQHVBOGDB-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](CC2(C)CCCCC2)[C@H](O)CC1	2009407214	LUXUHGLUFBOUFB-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1O	2009592068	JTQHHRGMSNHSTN-ZNMIVQPWSA-N	238.415	4.556	0	10	BJAE	
C/C=C/CCC[C@]1(CNC(C)(C)C)CC1(C)C	2009616669	KVCIZHDTHBDXGW-KXPUMZMLSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@]1(CNC)CCCC(C)(C)C1	2009620965	ZOOKKHWGYBTEMA-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](NCCC)C1=CC[C@H](CC)CC1	2010711618	BXSZXEWOAQXAHC-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC1=CC[C@@H](C(C)C)CC1)NC	2010761915	GWQWDICJBLZJMT-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C)c(C(=O)CC[C@@]23CCC[C@H]2C3)s1	2011018107	YRUZFYKDDAOJPA-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
C[C@]12CC[C@@H](Nc3cccc4ccsc34)[C@@H]1C2	2013056974	HNDJRYOGBKCRPA-YWPYICTPSA-N	243.375	4.502	0	10	BJAE	
CCCN[C@@H](C)c1cscc1C1=CCCCC1	2013606231	BJRQTBQEKFFDHU-LBPRGKRZSA-N	249.423	4.766	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)C1(C)CCCC1	2014337879	FYIZDDGPSGVSEG-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
C[C@H](N[C@H](C)CCC(C)(C)C)[C@H]1CCC1(C)C	2014943056	QZXWQCDJKVZSEL-HZSPNIEDSA-N	239.447	4.616	0	10	BJAE	
CC1=CCCC[C@]1(N)CCC(C(C)C)C(C)C	2015395108	VWOYAPJGOAQHLZ-INIZCTEOSA-N	237.431	4.523	0	10	BJAE	
CCCC1(C[C@H](O)C2CCCCCC2)CCC1	2015639000	BEWFBYLJXXVIAA-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@@H]1C)CC(C)(C)CC	2017245822	PDOMVARMEHELDK-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@]1(C)CCCC(C)(C)C1	2017622625	KMUNRBKOQIKTIB-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H]2CC2(C)C)CC1	2017654147	AVPRPBXXNUUQNO-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CCC(C)(C)CC	2019187254	CWHXIQTZNXHEDI-OAHLLOKOSA-N	241.463	4.961	0	10	BJAE	
CCCCCCN(C)CC1CCC(CC)CC1	2019286033	QEFBWIUKLHCPDI-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC=C(CC)[C@@H](C[C@H](C)C(C)(C)C)NCCC	2020969617	QAVLGJFCTNDTQR-DZGCQCFKSA-N	239.447	4.783	0	10	BJAE	
Clc1ccccc1NC[C@@H]1C[C@@H]1C1CCCC1	2022490965	XLNALHXLNYARIO-QWHCGFSZSA-N	249.785	4.578	0	10	BJAE	
CN[C@@H](CCCCC(C)(F)F)CCC(C)(C)C	2023297565	ZVGMKRMQJHKTFJ-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)C2(C)C)cc1C	2025019262	PWXGOQKMFMECCH-AWEZNQCLSA-N	231.383	4.540	0	10	BJAE	
CCC[C@H](C)NC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	2026859365	VJRPYYWVUYBJAM-VPABYTGTSA-N	249.442	4.514	0	10	BJAE	
CN(C1CCCCCC1)[C@@H]1CCCC[C@@H]1C1CC1	2026966710	NHBJWWXQWAHLKN-IAGOWNOFSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CC1(C)C)CC1CC=CC1	2027813784	ZECGUBNVPDEPNF-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)CC1(C)CCCCC1	2027884446	BHPYQXSJHUNFAY-TUVASFSCSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)C[C@]1(CNC2CC2)CC=CC[C@H]1C	2027926936	SGTRDIXIPWKSCY-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C[C@@H]1CC2CCC1CC2)c1ccc(N)cc1	2027947489	IWYKCXWEZOPFAJ-ADNDVJRGSA-N	243.394	4.589	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)c1cccc(C2CC2)c1	2028553454	ZOMUPHPNNUSFQN-HNNXBMFYSA-N	245.410	4.636	0	10	BJAE	
CCN[C@@H](C=Cc1ccccc1)CCC(C)(C)C	2028583520	LBLYYWHANCRYKC-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
CCC1(C(=O)c2ccc(C3CC3)cc2)CCCC1	2028591475	SZZVJYIXQDQURN-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC(C)NC[C@]1(CC2(C)CCCC2)CC12CCC2	2032134810	JJIGBSKQENEMFL-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)[C@@H]1CC12CCC2	2032136329	SPKSOJUQHLHJPX-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1C)C(C)(C)C(C)C	2032346395	MPLSJLRMKCGPKI-MRXNPFEDSA-N	247.426	4.636	0	10	BJAE	
CCC1(C[C@@]2(N)CC(C)(C)CC3(CC3)C2)CCC1	2037105891	ULHOBMAKEBKYRG-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@H]1CCC(C)(C)C1	2037578076	LRKGUFNEBRWDOE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CCC(C)(C)C3)c12	2037674171	CGSSCOILLRIUAE-OAHLLOKOSA-N	241.378	4.955	0	10	BJAE	
CC1(C)CCC2(CC1)CC(NCC1(C)CCC1)C2	2038932812	ILFAXTHSLBLOML-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H]1C[C@H](C2(C)CCCCC2)C12CCCCC2	2039843462	JVRULLBXAGEYCP-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1CC[C@@H]2C[C@H]21	2040234860	FSPMKJZOJFQXFX-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(C[C@H]1C=CCC1)C1CCC(C)(C)CC1	2040650279	IAPNJKGQJNNJIQ-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C1CC1)C1CC=CC1	2042016013	GCMORQJVBNUORB-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@H]1N[C@H](C)c1ccc(C(C)C)cc1	2043678120	ZBTNFYIWZBUNRV-CPUCHLNUSA-N	245.410	4.649	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCC[C@H]2C2CCCC2)C1	2045530434	ZQBHZLVGRBWCTN-CVEARBPZSA-N	249.442	4.610	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@H]1C=CCCCC1	2045683047	UWKIQMDXQXNCTQ-ZOBUZTSGSA-N	246.394	4.684	0	10	BJAE	
CCC(CC)(CC)[C@H](C=Cc1ccccc1)NC	2045729089	ARRHWDJCAWXFTR-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)c1cccc(C)c1C	2045731356	XXUAHDWOCRRWHP-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CC(C)CC1(C(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)CCCC1	2047349186	YKEXSDZKRXKFNU-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	2048465166	FKLOBMMVCLZBLJ-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)C1CC(C(C)C)C1	2048608540	PRCUOPUAVBBSKL-ARAOSMHQSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CC2CCC=CCC2)C1	2049491657	BHCWAOANKUPQNG-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@H]2CC[C@H](C)CC2)c1	2049680850	IJRJQRNJLHRARO-ZQIUZPCESA-N	245.410	4.636	0	10	BJAE	
CN[C@H](C[C@H]1CC12CCCC2)CC1(C)CCCC1	2049805361	XXZGFWOLUDZQOZ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)c(NC[C@H]2CCCC3(CC3)C2)c1	2049845035	GRFRISZWCBSPRI-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(C[C@H]2CCCC3(CC3)C2)C1	2049852452	DWNVPAKOBUXSJL-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@@H](O)CC[C@@H](C)CC(C)(C)C	2050431331	QNFPFCPNNSSWJI-CJNGLKHVSA-N	248.410	4.881	0	10	BJAE	
CC1([C@@H](N)c2cccc(F)c2)CCCCCCC1	2052474442	AFZTUOVOVMVOCH-HNNXBMFYSA-N	249.373	4.576	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCCC(C)=C2C)CC1	2055552897	UEUWAZMYHSSGHA-BRWVUGGUSA-N	249.442	4.824	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C[C@@H]1CCC[C@@H]2C[C@@H]12	2057352548	CTNRAFRWTQPUIR-FQLMCAECSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C1CCCC1)C1(C2CC2)CCCC1	2057604162	OOWJOAKFZMNGII-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@@H](N)C2(C3CC3)CCCC2)CC1	2057607917	AVHUKBVPEAYZFZ-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@]2(CCN2CCCCCC2CC2)C1	2058197895	DTSQAKFXFCJAFW-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1C[C@H]2CC[C@H]1C2	2059250155	NXEOFULVQATUPL-YSBOKNOISA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)C2(C)C(C)(C)C2(C)C)CC1	2061137934	QPLBSWJKHQDVEZ-GXTWGEPZSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)[C@H](C)C1CCC1	2061143777	MIYZZUJVXJRBTB-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@@H]1C[C@H](CC)CC[C@H]1CNC(C)C	2061562274	BEAFISXOUGISAH-ZACQAIPSSA-N	249.442	4.548	0	10	BJAE	
CCCC1CCC(NCC[C@@]23CCC[C@H]2C3)CC1	2061570969	HENSPTFROGYVMO-ODZFXCKXSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CC[C@]12CCC[C@@H]1C2	2061601746	JKPOXKKABIFPGE-AESZEHBQSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C[C@]12CCC[C@@H]1C2	2061618750	WNFAAZKEKRPQJP-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@]12CCC[C@H]1C2)CC1(C)CCCC1	2061638797	QIDDQIUWZNINID-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCCN[C@@H]1CC[C@H](C)c2ccccc21	2062371794	JJEMTQQIRNKINL-LQMLLCQLSA-N	243.394	4.571	0	10	BJAE	
C[C@@H]1C[C@H]1CCCN[C@@H]1CCCC2(CCCC2)C1	2062640727	FBXLWBDXUMHYNH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC1CC(=C2CCC2)C1	2066039490	YXJRKKAUZKBXMY-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)[C@@H]2CCC2(C)C)c(C)c1	2068288828	SPAJVGYCYOXSSG-CABCVRRESA-N	245.410	4.848	0	10	BJAE	
CC(C)C(CC=C1CCNC2(CCC2)C1)C(C)C	2068948903	OCHNRZDKDNXRKL-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CC[C@@](C)(O)c2ccccc2)CCC1	2069340099	QWTLCGQQWYTNCW-MRXNPFEDSA-N	246.394	4.645	0	10	BJAE	
CN[C@H](C[C@@]1(C)C[C@H]1C)c1ccc(C(C)C)cc1	2070965656	CGYNVGLQUIGMRE-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](C=C1CCCCC1)C1(C(C)(C)C)CCC1	2071932712	HPDWWICYFLVVTL-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@@]2(C)C=CCCC2)CCC1	2071942007	ZQMZUWWIOUCJGE-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(C[C@](N)(C2CCC2)C2CC2)CC1	2072804085	OSAQNSDSKGHJJA-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@](N)(CC)c1cccc(C(C)C)c1	2073348845	WKAUFMYPVGYUDE-KRWDZBQOSA-N	247.426	4.954	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@]23CCCC[C@H]2C3)CC1	2074023385	CDQSJVYTWGMMPN-YYIAUSFCSA-N	249.442	4.645	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@]12CCCC[C@@H]1C2	2074115741	ZQVLXDJDAANGNK-BFYDXBDKSA-N	248.410	4.886	0	10	BJAE	
CC(C)[C@@H]1CCCCN(CCC2=CCCCC2)C1	2075152482	UTTXPZMIYLJUJS-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CCNC[C@@]1([C@H]2C=CCCCC2)CCCC1(C)C	2075374255	WAMIDOWTIVJZHA-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
Cc1c(F)cccc1C(=O)C1CCCCCCC1	2077867039	YHZMZDYARXABNL-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCCCc1ccc(C(=O)[C@]2(C)C=CCC2)cc1	2077931525	ZGYWAWOODKNOSP-QGZVFWFLSA-N	242.362	4.568	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@H]1C[C@H]1C1CCC1	2079326476	AEXCYUFWFVQTOP-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1CCCC1)[C@H]1C[C@H]1C1CCCCC1	2079493001	UZXMEMCVXPJZNW-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CCC(=C[C@@H]1C[C@@H]1C1CCCCC1)CNC(C)C	2079660992	OAZVEQLABAVTJH-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@]1(C[C@@H]2C[C@H]2C2CCCC2)CCCN1	2079705688	IRCADCQUHFULON-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)P(C1=CC[CH-][CH]1)C(C)(C)C	2080823320	LYQLZBALXBMTDZ-UHFFFAOYSA-N	210.301	4.761	0	10	BJAE	
CC(C)C1(C(=O)c2cccc(C(C)(C)C)c2)CC1	2083555222	NIBOJVYIDANUND-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
CCCCC[C@@H](O)c1cc(C)c(Cl)c(C)c1	2210168249	TWLOVORBPINKAS-CYBMUJFWSA-N	240.774	4.571	0	10	BJAE	
CCC[C@](O)(CC)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213276184	WVKGZXSFPLNBTR-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCc1cccc(NCc2scc(C)c2C)c1	2213636945	NTIBJSKFQYMSFA-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CC1CCC([C@](C)(N)CCCCC2CC2)CC1	2214563310	PFEBZRCSWJGYNU-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
Cc1ccn(C2CCC3(CCCCC3)CC2)c1	2214618663	JLCSLUASVFGOON-UHFFFAOYSA-N	231.383	4.862	0	10	BJAE	
C[C@H]1CCC[C@H](n2ccc3cccc(F)c32)C1	2214769816	SPFGEGIAGAIMOG-AAEUAGOBSA-N	231.314	4.532	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC1(C)CC(C)(C)C1	2215459924	BEIGFAXBKQENGY-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CCCC(C)(C)C)CC1	2215801863	KPZHFQOLEXZYBK-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](NC2CCCCC2)C1	2216248559	YGNTVXGNAZDHHS-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](CNC1CCC1)CC(C)(C)C(C)C	2217128477	GRCZXIHTWBCLRM-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C1=C[C@H](Cc2cccc3ccoc23)CCCC1	2217511992	SVUNMZSZKNTHAW-ZDUSSCGKSA-N	226.319	4.722	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC=Cc1ccccc1	2219096561	XCIPWHCOIACFAI-INIZCTEOSA-N	244.378	4.875	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CCCCC2CC2)cc1C	2220029376	BBONSWOUVDWRIE-KRWDZBQOSA-N	245.410	4.582	0	10	BJAE	
CC1(C)CC(C)(C[C@](C)(N)[C@@]23CCCC[C@H]2C3)C1	2221034324	PPYDONXPGJTGCZ-RRQGHBQHSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2C[C@@H]2C(C)(C)C)CC1	2221642582	HGOYURDFYQRXDG-KEYYUXOJSA-N	248.410	4.764	0	10	BJAE	
CC(C)C[C@H](C)CC1(CNC2CCC2)CC=CC1	2223541248	GYQUGVCASKDYLL-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@]1(CNC2CCC2)CC12CCC2	2223556217	IXXMBAVCMXXGSS-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](O)CCC[C@H]1CCC[C@@H](C)C1	2242809940	ASQFEEMRNJNTDK-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCC(CC)C(=O)c1ccc2ccsc2c1	2246126220	ADPWNCJKHSQGMZ-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CC[C@@](O)(CC1(C)CC(C)C1)C1CCCCC1	2246531146	RXGMJGFCTQMILJ-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C)CCCC[C@H]1CCC[C@H](C)C1	2246723924	BCYXFUKEWHHUDA-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCN(CCCCC[C@@H]1C[C@@H]1C)C(C)(C)C	2248844917	OUBVRPCZOUVUJE-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C1=CC[C@@H](C(C)C)CC1	2250353438	VCAFAWNFCHLOOG-SQWLQELKSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1CCC(CC)CC1	2250357442	IFXCVCXXTUBUBC-CKUJCDMFSA-N	239.447	4.747	0	10	BJAE	
CCCc1ccccc1NC[C@H](CC)CCC	2250378669	PGROUVKBNROCKL-CQSZACIVSA-N	233.399	4.877	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)[C@H]1CCC2(CCCC2)C1	2250381764	AXICJKNGCYZFAS-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNC1(C)CC=CC1	2250529054	OMGYQSWGHZWXET-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@@]12CCCC[C@@H]1CC2	2251211127	JBSMMKZNVAYUIP-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@@H]1CCCCC12CC2	2253824512	TXLUWGOLMFMXIL-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2CCC23CCC3)cc1	2255020548	ZZDSPHGVPQOVKV-HNNXBMFYSA-N	244.378	4.769	0	10	BJAE	
CN(CCCCCCC1CC1)CC1=CCCCC1	2255135947	FQWWLKBBOVUGDU-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CC1(C)C2CCC1(C(=O)CC1=CCCCC1)CC2	2255146527	SGVHWRPYJMYDMI-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC(C)C[C@@]1(CC[C@@H]2CCCC23CC3)CCCN1	2255324644	ZJUDKXSCLUGUER-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CCC(=C2CCC[C@@]2(C)CN)CC1	2258801045	RLUGTXPDYBRPKC-JRZJBTRGSA-N	249.442	4.668	0	10	BJAE	
Cc1ccc(C=CC=Cc2ccccc2)cc1	2297730501	HWOHNKOFLQZHJO-UHFFFAOYSA-N	220.315	4.722	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H](C)CC2CC2)CC1	2298911695	QSTOOFSFMQRTEE-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCC1CCCCC1	2300502575	CAAIHIZMPHRQSK-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CCCC12CCC2	2300679792	XDWMDEDWZYAWFF-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)[C@H](O)CC=C(C)CCCC(C)C	2300866527	AAFBAXDCKGFQGB-HZPDHXFCSA-N	240.431	4.946	0	10	BJAE	
CCC(C)=CC[C@@H](N)C1(CC(C)C)CCCC1	2300871833	JNPKPWSCWGLJJA-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CC[C@H]1C[C@H](C(C)(C)C)CCC1=O	2300893185	OGCMMBBOFYCQTH-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
CCC(C)=CCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O	2300907674	VNVZUBQLTVCEHO-RBSFLKMASA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2301827639	CZOJSADTCGVZIQ-AIEDFZFUSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(C)(C)CCNC(C)(C)C	2301831613	FJYDPLCQOHMMLM-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)[C@H](C)C(C)C	2301960922	GDTCXDRYLBQQRK-KGLIPLIRSA-N	233.399	4.903	0	10	BJAE	
CCC1(CC)CCN([C@@H](C)[C@@H](C)C(C)C)CC1	2301966168	AFWGGANBFMITLN-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
Cc1ccc([C@H](N)CCCC2=CCCCC2)s1	2302348314	BCONORIKOWUBEM-CQSZACIVSA-N	249.423	4.727	0	10	BJAE	
Cc1cc([C@@H](N)CCCC2=CCCCC2)cs1	2302354439	RDZLNCWAQRUROT-HNNXBMFYSA-N	249.423	4.727	0	10	BJAE	
CC1(C)CCC(CCC2(N)CCCCC2)CC1	2302559808	MRYMYQLTWDMLQA-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CCC[C@H]1CCC(C)(C)C1)C(C)C	2302901209	HFSCWPHUZCLACA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCc1cscc1NCC[C@@H]1CC[C@H]1C1CC1	2303162968	XMORVNHXZUCCDP-KBPBESRZSA-N	249.423	4.549	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@@H]1CC[C@@H]1C(C)(C)C	2303363111	DIPQHMNGZKGHJD-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1C(=O)CCCC1CCC1	2303444179	GNQGINLCRQSVSJ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@](CN)([C@H](C)CCC(C)C)CC1	2303580719	XLICGRLTOVPREN-HZPDHXFCSA-N	237.431	4.524	0	10	BJAE	
CCCCC[C@@H](C)NCC[C@@H]1CCC(C)(C)C1	2304421469	YOOVVROLCSHSEU-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(-c2nc([C@@H]3C[C@H]3C)cs2)c1C	2307693401	KSWOTDIHFDXVCM-ZWNOBZJWSA-N	243.375	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCC[C@H]1C(C)C	2307841057	FHGSCJQCWFHRGB-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cc(C)ccc1C	2307895978	SLBIBXZIUXEPHH-GOEBONIOSA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(CNC(C)C)C1CC1	2307925961	KTBQAGXKBRALBO-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2C[C@@H]3CC[C@H]2C3)cc1	2308574330	LZMKXLHGERIFRU-DVOMOZLQSA-N	243.394	4.585	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C[C@@]23CCCC[C@@H]2C3)C1	2311163179	AJIKWFFLKINILY-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
N[C@H]1CCCCC[C@@H]1C[C@@H]1C[C@H]1C1CCCCC1	2311569960	ZINGEKZNAUVCFI-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@@H]2C[C@H]2C2CCCC2)CC1	2311571505	JHYDVNOHCUGVBN-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1CC)[C@@H]1C=CCCC1	2312456949	MBIJKNLGXOGSDB-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC[C@H]1CCCCC12CC2)[C@@H]1CC[C@H](N)C1	2312667413	KEIJMPDGQSULRD-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@]1(C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCCN1	2313183694	VFXBTEPSARISHO-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)[C@@]12CCCC[C@@H]1CC2	2313289472	GXNNEGVAKHFXSX-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](NC[C@@]23CCCC[C@@H]2CC3)C1	2313313035	ITKXBWCDTHSWKZ-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CC1)N1CCCC2(CCCCC2)CC1	2313598998	INQRLCWZURHQRH-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC=CC[C@H](NCC)[C@H]1C[C@@H]1C1CCCCCC1	2316511776	WMGPBWZVMCCFIY-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC1CC(C)(CC(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316751402	DDOATANPDTVEIG-AUUXXJPVSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C[C@H]1CCNc2ccccc21	2317838313	ZTDJTMDLSJJECN-SOUVJXGZSA-N	245.410	4.904	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@@H](N)CCCC1=CCCCC1	2318561568	OTNPXQMAEZSVHQ-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
CC1CC(CC[C@H](N)CCCC2=CCCCC2)C1	2318594684	IKLNHIHTNICIBL-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)[C@H]2CCCC23CCC3)C1	2319029421	IQBPOHFNMVGWDK-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@H]2CC23CCCCC3)C1	2319132140	WHSLRTFVJANKFT-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1[C@H](N)C[C@H]1C=CCCCC1	2320218435	XVABSMSMSPUROZ-ZJIFWQFVSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1	2320395132	UTMAKRGPTCGCDQ-FPCVCCKLSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2320416049	GZCPJUJNNIGZIF-JONQDZQNSA-N	246.394	4.518	0	10	BJAE	
CC1CC(C)(C[C@H](N)c2cccc(C(C)C)c2)C1	2320527884	PRHYZNHKOPLZPA-PWZRNIHTSA-N	245.410	4.636	0	10	BJAE	
CCNCC1([C@@H]2CCC[C@H](C)C2)CCC=CCC1	2326702739	UJCCJNCHWHZCBR-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CCCCCCc1ccc([C@](C)(N)C(C)C)cc1	2327900065	PTPPBQSRHQDLRB-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1ccc2occc2c1	2328199501	HURDSGPIXMRYDN-DOMZBBRYSA-N	245.366	4.649	0	10	BJAE	
CC[C@@H](Nc1cc(F)cc(F)c1)c1ccccc1	21803734	NOIYWWGJWUDNOJ-OAHLLOKOSA-N	247.288	4.528	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1C(=O)C1CCCC1	36164947	JBCHFKAMHJMQMR-UHFFFAOYSA-N	244.378	4.665	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@H]1CC)c1ccccc1	37032185	VVDUOJVLNSOSFL-HYVNUMGLSA-N	245.410	4.696	0	10	BJAE	
CCCCCCSc1ccc(N)cc1Cl	37204910	YCLXYAXGFGIVRO-UHFFFAOYSA-N	243.803	4.595	0	10	BJAE	
CCCC[C@@H](C)Nc1ccccc1C(C)(C)C	37278581	KZVKSMZCFMNHSU-CYBMUJFWSA-N	233.399	4.975	0	10	BJAE	
CC(C)CCC(=O)C1(c2ccccc2)CCCC1	62782491	XVHFTBMNFUIGDC-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2cc(Cl)cc(Cl)c2)C1	70748060	WRTGCOPSNKGOLA-KCJUWKMLSA-N	244.165	4.594	0	10	BJAE	
CCCC[C@H](NCC)c1cccc2ccccc12	70941518	WPCOACGNRRMJCZ-KRWDZBQOSA-N	241.378	4.681	0	10	BJAE	
CCCN[C@H](CCC(C)C)CCC(C)(C)C	71085370	QMAUBLLGCHHMHG-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC1CCC(N[C@H]2CCC[C@H](C3CC3)C2)CC1	81637399	PPFQONCQVIXCHO-PZJKJEQHSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCC[C@@H](C)CC2)c1	86880673	LRUYTTNATUQTLJ-YPMHNXCESA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1cscc1C	87288014	LFGWNTMWPNRGQE-LBPRGKRZSA-N	238.396	4.846	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CC2CCCCC2)C1	87985931	BTZMXTRESLTFPL-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@H](N[C@H]1CCCCC[C@@H]1C)C1CCCCC1	88508243	ALWRFQFXRKPJSM-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)c1ccc(-c2cccc(N)c2)cc1	90484077	DWUHPDPQJJIZFM-UHFFFAOYSA-N	239.362	4.623	0	10	BJAE	
CC[C@H](C)[C@@]1(O)CCCC[C@@H]1C1CCCCC1	93187617	VRRXWEVXHFCJBB-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](N)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	94547167	HZFSLDNDRXKOBY-IZTSSTLKSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)[C@@H](CNC)c1ccc(C(C)C)cc1	94675672	BKXATBRNUVIFCW-QGZVFWFLSA-N	247.426	4.549	0	10	BJAE	
CC(C)(C)CC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	103989507	SAFVWWCWUNTJPO-MJBXVCDLSA-N	240.431	4.636	0	10	BJAE	
CCCCc1ccc2c(c1)C[C@@H](C(C)(C)C)CN2	109609067	YOQVTVKYWAGDLL-OAHLLOKOSA-N	245.410	4.660	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](CCC)CC[C@@H]1NC	109664074	NWHWSOXQMHERKO-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	109665343	AWUPCWUGNNHHLM-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](c1ccco1)[C@@H]1CCCC[C@@H]1CC	111747353	COUNMDJKHSYONE-SQWLQELKSA-N	249.398	4.537	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H](C)c2ccccc21)C(C)(C)C	122616013	XFVWBHIUPRKUBM-DVOMOZLQSA-N	245.410	4.649	0	10	BJAE	
CCCC[C@@H](C)NC1CCC2(CCCC2)CC1	129372868	OKJKFXLOLORLKN-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
Cc1ccc(COc2cc(C(C)C)ccc2C)o1	130417228	USJAMQPSCCHCKI-UHFFFAOYSA-N	244.334	4.599	0	10	BJAE	
CCCC[C@H](CC)Nc1cccc2ccncc12	131106520	SSVSAEVWYGBEGP-AWEZNQCLSA-N	242.366	4.616	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@@H]2CCCC2(C)C)c1	132657006	ZFGYIEAZNCSVSG-GDBMZVCRSA-N	245.410	4.533	0	10	BJAE	
CCC1CCC([C@H](C)CCNC(C)(C)C)CC1	132710373	XFWPIWJOKHHPNY-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC(C)(C)[C@@H]1CC[C@H](C)CC1=O	149423195	AEIWDCLGPQCUIQ-GXTWGEPZSA-N	238.415	4.844	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@@H]1C)C1CCCCCC1	149848174	SBXWLWMHFAUQGT-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CC)c1c(C)ccc2ccccc12	160932613	WSTCMKFBSGHDFZ-MRXNPFEDSA-N	241.378	4.599	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc(Cl)cc1Cl	164263305	MJJZGARSZXNBFN-MRVPVSSYSA-N	245.149	4.612	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)c1ccc(C)c(C)c1	212525172	BGLNHZSOICZSBB-NVXWUHKLSA-N	247.426	4.575	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@@H](CC)C1)C(C)C	227179511	AJOOZVWKEBJVAU-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H](c1ccccc1)C(C)C	229624937	ULBIVAMDDVNSAX-OIISXLGYSA-N	245.410	4.552	0	10	BJAE	
CCCCCC[C@@H](NCC)c1ccc(Cl)o1	232968278	OAWXOJMDLQZBDY-LLVKDONJSA-N	243.778	4.554	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)[C@H](C)CCC	233043723	ORRPILADHFHICM-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCC2(C)CCC2)CC1	233408091	UJAWZQAOIUBQKI-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCc1cccc(NC[C@@H]2CC(C)=C[C@@H](C)C2)c1	234176651	PYMFTKHGPBZETP-CJNGLKHVSA-N	243.394	4.653	0	10	BJAE	
CCCC[C@@](CC)(CO)C[C@@H](C)CC(C)C	300973298	SKRLZCUCNUHABQ-LSDHHAIUSA-N	228.420	4.638	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1cccc(C2CCC2)c1	305913208	JFVDWBWNOLXSAO-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCCCCC[C@H](CC1(CC)CCC1)NC	309334836	JXASKTHWZCLORB-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](CCCC(C)(C)C)C1	309996204	ZWRBDAATHBYOOB-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCCCC(=O)C2)CC1	310294787	AFLJWKQCIWKPOX-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H](C)C1CCCCC1	310365039	VSBZVPYPOFJLHE-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc(C(=O)CC2CCC(C)CC2)c(F)c1	310729242	DBJVQAGLTHIJKQ-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)NC[C@@]1(CC2(C)CCCC2)CC=CCC1	317275018	IBURVSHWJAJZFZ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCCC1(CNCC)CCC(C(C)C)CC1	318029022	DZJZFVHDJXIFIN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(C(=O)[C@H](C)[C@H](C)CC)CC1	319904141	XQXNVIWOGADCIF-LMRVLLHPSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)[C@@H](C)NCC1CCCCCCC1	382678023	ABZLDYNBQVYKQL-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@H](O)C1CCC(C)CC1	383532523	MYDGVRGGTORBTK-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C)CCC[C@H](C)C1CCCCC1	384003169	NDMGJWLVLWUEBQ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc2ccn([C@@H]3C[C@@H](C)C[C@@H](C)C3)c2c1	384704616	DYUXEPXLFOJUGS-FOLVSLTJSA-N	241.378	4.947	0	10	BJAE	
O=C(CCC1=CCCCC1)c1cccc(Cl)c1	384874409	RTEDQKBERDBRIR-UHFFFAOYSA-N	248.753	4.803	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CCC1=CCCCC1	384974054	PQZODYFVTWPKJG-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@H](c1ccccc1)C1CC1	384985308	USUCGWZVAHOTCV-XJKSGUPXSA-N	245.410	4.552	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)CCC31CCCC1	385549494	WQHPXHGSTSUTBS-UHFFFAOYSA-N	239.362	4.543	0	10	BJAE	
CCC[C@@H](Nc1ccc(C(F)F)cc1)C1CC1	386289879	HQQWSPUTVYIFPT-CYBMUJFWSA-N	239.309	4.615	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)c1cccc(C)c1C	386446597	QSFDQUQTPWFOAE-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]1NCCC1CCCCCC1	394552273	AXTAAPZZIJZLLG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCOc1c(CC)ccc2cc(Cl)sc12	396184316	BMYMSOSILNBBPU-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc(C)cc2sc(C(F)(F)F)cc12	396296058	DGLUSRHKGRVGNB-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC(C)=CCCN[C@H]1CCC[C@@H](CC(C)C)C1	397678158	RMNNYRORYMUOIL-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CCC1)CC(C)(C)C	398611948	APHGGDZCFRSLKN-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C[C@@H](C)C1CCC1	398723124	GXPGVVWAQBRVQS-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCCC1(C)C)C1CCC1	398778252	BZWITHOWBWTRQO-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C1(CC)CCCC1	401056751	ZEVMINMIMAGBTO-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)C[C@@H]1CC[C@@H]2C[C@H]2C1	403370187	MKWSPKGVNDXBAJ-SKTAKPNRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C(C)(C)C(C)(C)C	405719289	HKEFRVUUJPHVJG-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)c1cccc(C(C)C)c1	688913240	IKGXZWQFLCNDBS-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
NC1(C[C@H]2CC3CCC2CC3)CCCCCCC1	691680172	FURRHBPEYCAJQR-UYSNPLJNSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)c1ccsc1CNC(C)(C)C	693141878	WJYUUUDQEUBOSX-UHFFFAOYSA-N	239.428	4.540	0	10	BJAE	
CCC(C)(C)CCNCC[C@@H]1CCC[C@H](C)C1	696783483	RPLVSPMDPYEHIU-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(C(=O)[C@]2(C)CC[C@@H](C)C2(C)C)oc1C	699078427	PNHSJQFRCLXHEI-BZNIZROVSA-N	248.366	4.542	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@]1(C)C[C@@H]1C	704323928	ZAYCISNNXKCMNU-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC1(C(=O)c2ccc(SC)cc2)CCCC1	704612790	ATTKWIZHMTXOOD-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1CC2CCC1CC2	704832386	RKISXYLLGHJWRH-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C1CCC(C)CC1	704960742	ZFNMLOAWOSPXAM-KNIAUWFNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H](C)C2(C)CC2)CC1	706953778	BMZDPBLXCUQIQO-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H]3CCC[C@@H]32)c1Cl	707858703	JXYHUUGXRHECAJ-RWMBFGLXSA-N	249.785	4.639	0	10	BJAE	
CC(C)CNCC(C)(C)C[C@H](C)CC(C)(C)C	709105792	NOSUNPTYMSRXPL-CQSZACIVSA-N	241.463	4.721	0	10	BJAE	
C[C@@H](Cn1ccc2ccccc21)CC(C)(C)C	709178719	TWAOVDXGQWHNNQ-CYBMUJFWSA-N	229.367	4.714	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C12CCC(CC1)CC2	710047814	CIOILDWATNWVFA-AQFXKWCLSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCC[C@H](CNc2csc(C)c2)C1	710729547	SDABPEDSIRQYRI-STQMWFEESA-N	237.412	4.685	0	10	BJAE	
C/C(=C/CCNCC(C)C)C[C@@H](C)C(C)(C)C	711179862	AHFZNUSPCUYIAE-KQGZCTBQSA-N	239.447	4.641	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC(C)(C)CC[C@H]2C)c1	713056443	DGKIFNKCDPFOOX-GDBMZVCRSA-N	245.410	4.930	0	10	BJAE	
CCCCCCN[C@@H]1CCC[C@H]2CCCC[C@H]21	714293424	XYROWYWHISUUJO-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@@H]1CCCC12CCC2	717439839	RNLQBGMXAKVOJE-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H](C2CC3(CCC3)C2)Nc2ccccc21	717543367	PAEUJQXSYCNQNK-WBMJQRKESA-N	241.378	4.555	0	10	BJAE	
CCCC1CCC([C@@H](N)C2CC3(CCC3)C2)CC1	717545139	KZDDRMYULAWITB-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NC1CCC=CCC1)c1cccc(C)c1	718038472	ABJKGFOQAPGLOJ-QGZVFWFLSA-N	243.394	4.535	0	10	BJAE	
CCCC1CCC(CN[C@H]2CCCC23CC3)CC1	1203332492	UVOCKFPWZXDMAZ-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1-c1cccc(O)c1Cl	1242799807	DNFQIRXAQGTAMJ-UHFFFAOYSA-N	246.737	4.836	0	10	BJAE	
CC[C@@H](C)CSCc1sccc1Cl	1559386764	CXDQRXZZYNXIPC-MRVPVSSYSA-N	234.817	4.681	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNCCCC1CCCC1	1648689131	LMTBQUUIIJZHCM-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
C1CCC(SC[C@@H]2CC3CCC2CC3)CC1	1652477637	CLWUJUVQSGBXGH-RUXDESIVSA-N	238.440	4.879	0	10	BJAE	
CCC[C@H](CC)[C@H](CC=C(C)CC)NCC	1900842541	KMNWABPCAUQIHR-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CC[C@@](C)(CO)CC=C(C)CCCC(C)C	1900902805	HZZIBRUZUOWIFX-OAHLLOKOSA-N	226.404	4.558	0	10	BJAE	
CCC[C@H](C)Nc1cccc(C(C)C)c1F	1905169802	QAVQASWPVXMJBK-NSHDSACASA-N	223.335	4.550	0	10	BJAE	
CCC(C)(C)C(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906540059	XMABVOYCSFQTNZ-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CC[C@](C)(CCC[C@@H]1C[C@H]1C)CNC(C)(C)C	1908553971	FZGSOBDHEJFASM-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC=CC[C@@H](CC)c1cccc(F)c1F	1911916771	AMTFLACXGUCXBV-LLVKDONJSA-N	224.294	4.815	0	10	BJAE	
CCC(=CC1(C)CCCCC1)CNCC(C)C	1912043160	GYYWRLCCTNZKTK-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CN	1912105247	MTNDHQLTIIYXTD-OWCLPIDISA-N	249.442	4.546	0	10	BJAE	
CC(C)(C)NCCCCCC=Cc1ccccc1	1912136197	IMCYKCFKAPECGG-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CCCCCCC(=O)C1CC2(CCCCC2)C1	1912628460	LLYNGTHBLYVNOD-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC[C@@H]1CCCCCCCC[C@H]1NCC	1913426254	MMDBVGYAUKXWLA-HZPDHXFCSA-N	239.447	4.905	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1C=CCCCC1	1925787207	VCKUJRNPSJCJJP-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CC(C)CCCCCNC[C@H]1C=CCCCC1	1925831635	CAANRNVMMJWLBW-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@@H]2C=CCCCC2)CC1	1925904518	XPZFZPVJBPZYCL-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1926351825	CWIAWEGBBMACDO-BFJAYTPKSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C1CCC(C=C(F)F)CC1	1927559284	ARGXBKNRZCDGBC-UHFFFAOYSA-N	202.288	4.619	0	10	BJAE	
C1=C[C@@H](Cc2ccc(C3CC3)s2)CCC1	1932600531	DJMBLIDIMTZTCQ-LLVKDONJSA-N	218.365	4.524	0	10	BJAE	
CCC[C@H](C(=O)CC1CCCCC1)C(C)C	1936207055	OCVIYANLYKMPTN-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@@H](C)CC(C)(C)C	1937162776	DDXNOAZYYMLBKB-OLZOCXBDSA-N	226.404	4.700	0	10	BJAE	
CCCCCC[C@H](C)NCC[C@H](C)CCC	1937266507	JGCDOYYSMUZKCB-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
c1cc(NC2C[C@@H]3CCCCC[C@H]3C2)cs1	1938708562	AZKKTGUCSMRFGT-RYUDHWBXSA-N	235.396	4.519	0	10	BJAE	
CCc1cscc1[C@@H](O)CCC(C)(C)CC	1938819225	CKNZKFAFVBIJKO-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
CC1(CC(=O)C2CCCCCC2)CCCCC1	1940380308	QMGDNKXMWRSQNR-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
C[C@@H]1CC[C@@](O)(CC2(C)CCCCC2)C[C@H]1C	1940406747	GWMOMQFRFCXGIH-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](CCC[C@H]1CC1(C)C)NC	1940869619	NCEWHPOKXDRBJQ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(OCCC[C@H]2CC2(C)C)c1C	1940872727	OUWPLEMWTDOOGA-AWEZNQCLSA-N	232.367	4.509	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)CC1CCCCC1	1940876230	LBIYCUAPVCQKAY-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](NC)[C@H](CC(C)C)C(C)C	1941262298	BYCOYIZUKDBCCF-JONQDZQNSA-N	241.463	4.575	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)[C@@H]1CCCC[C@@H]1CC	1941263118	MNZOEAQKHMNMIT-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H](CC)C(C)C	1941264826	OUGUQHSBCUCPFZ-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CC[C@@H](C(=O)c1ccc(C(C)C)cc1)C(C)C	1941265958	YIAJFYLMQKHMAF-OAHLLOKOSA-N	232.367	4.675	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@H](CC)C(C)C	1941267415	RNELIOCASJRNFI-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C[C@@H](N)CCCCCC1CC1)C1CC1	1941598214	WUBJFDGULGGOIP-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)C1(C)CCCCCC1	1942653318	PHZAZKFBJBRJBS-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)[C@@H](C)C1CCCCC1	1942665090	VQWZWIIWFPYFPJ-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H]1CCC(C)(C)C1	1945595033	VYIQXVXKMJYPMA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)C12CCC(CC1)C2(C)C	1945634596	LOJGQMFYRKXRSK-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@@H]2CCC2(C)C)CC1	1945747928	KMDPGFVRZHCZQI-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
Clc1ccccc1NC1C[C@H]2CCCC[C@@H]2C1	1946292105	YYXXAURTLUKMAC-VXGBXAGGSA-N	249.785	4.721	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccccc1CC	1947463659	PJDBHEKXWZCHIA-GOEBONIOSA-N	231.383	4.630	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@H]2C=CCCC2)C1	1947551489	GKZHJRHHJXLYSZ-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CCCNCC1(C[C@H](C)CC)CC(C)(CC)C1	1948412737	HUOSRZQWOQLBLK-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)[C@]1(O)C[C@@H]2CCCC[C@@]2(C)C1	1948596201	NQWNAUYQURSUPC-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](N)(CC2(C)CCC2)C1	1948972041	BXYRYOHSRKFZFU-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](C)(N)CC(C)(C)C(F)(F)CC	1949025765	CJTGWBRKCSYCSO-ZDUSSCGKSA-N	249.389	4.746	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@@H]2CC[C@H](C)C2)CC1	1949404785	XFNKWNCPYLYXAJ-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@]1(C(=O)O)CCC[C@@H](C)CC1	1950911938	SQRJHSUDEYGYRU-HIFRSBDPSA-N	240.387	4.628	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H](C(C)C)C1)c1ccccc1	1963322036	DPIVHGKIVRLKLC-ZACQAIPSSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(C)c(OCC[C@@H]2CCC[C@H](C)C2)c1	1968307346	INUDUHJUETZMCF-BBRMVZONSA-N	246.394	4.899	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC(C)(C)C1)C1CC2(CCC2)C1	1969844878	YMTQQQYRZFFXIC-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](CC)NCc1ccccc1C1CCC1	1972494704	JGBOESJBXPVUHF-INIZCTEOSA-N	245.410	4.622	0	10	BJAE	
CCC(CC)C[C@@H]1CCC(C)(C)CCC1=O	1984461242	BODKHTQVIYDPRD-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)NCCCC(C)(C)C	1986943236	HZKQXNONICCVSW-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCC1([C@H](N)CCCC(C)(C)C)CCC1	1988434168	CWGOCGVFIRBYEL-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1cc(C)c(C)s1	1989973222	LRUKKAPQWPJGBQ-GFCCVEGCSA-N	238.396	4.620	0	10	BJAE	
CCCCCc1csc([C@H](C)NCCC)c1	1993922868	HFAHJOMMCANYQS-LBPRGKRZSA-N	239.428	4.541	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC1(CC)CC1	1995213822	GZOUQFQEJOFDIH-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H](C)Cc1csc(C(C)(C)C(C)C)n1	1995461793	OZLTUXTWSDYCJP-LLVKDONJSA-N	239.428	4.665	0	10	BJAE	
CC(C)C[C@H](C)CN(C)[C@@H]1CCCC(C)(C)C1	1995835797	PDACUSXWSRGVAY-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)(CC)[C@H](CCCC(C)(F)F)NC	2000331158	DGBFYPMKVAHMAS-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCC1([C@H](CCCC2CC2)NCC)CCC1	2000383220	VYDABDMGRRMOFG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](CC)(CC=C(C)C)CNC(C)C	2000514992	YARQPFYOZXLYEL-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCN(C[C@@H](C)CC(C)C)c1ccc(C)cc1	2000906520	RAUTXLLRWQHWRR-HNNXBMFYSA-N	233.399	4.504	0	10	BJAE	
CCC(CC)[C@@](C)(N)C1CCC(C(C)C)CC1	2002926070	QQRBXVJDRXSYDM-AVVWSFFYSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](O)CCCC)CC1	2003097576	BDFCZMJFDDWHDP-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCN[C@@H](C(C)(CC)CC)[C@@]1(C)C=CCCC1	2003322615	RJPDZEDTYSZMSQ-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@]1(C)C=CCCC1	2003333855	HGNUHPKIIJHCTC-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CC[C@H]1C[C@H]1CC1(N)CCC(CC)(CC)CC1	2004344082	BZRWTHKUZFLHNE-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H](O)C[C@H](C[C@H](C)CC(C)(C)C)C1	2006653842	UYTNHFBNOZOIGY-XQLPTFJDSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CC=C[C@@](O)(C[C@@H](C)CC(C)(C)C)C1	2006657239	HMADRVUBGHRUEA-SQWLQELKSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H]([C@H]1CCC[C@H]1C)C(CC)(CC)CC	2006753748	FRKXEOBCVCICBT-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C1(C)CCC2(CC2)CC1	2007689970	PSKRJDUBQCWKSJ-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCCCCN(CC1CC(C(C)C)C1)C(C)C	2007828838	GUCWHYWUIOWZQR-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC=C(C)[C@@H](N)[C@H]1CC[C@H](CCCCC)CC1	2007856790	GHOCKPQQCXVQSE-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CC1(CC[C@@H](N)C(C)(C)C2CCCCC2)CC1	2009536072	PYTJRZZZFBIDAF-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CCC1(C)CC1)NC	2009536076	QAYBWKOIKPRZSQ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H](O)C1(CC(C)C)CCCC1	2009592268	LYFGBTWANBQNGE-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CCCC[C@H]1C	2009596113	NMFQLZGLELDQLA-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@@H](CC(C)C)C(C)C	2009616385	IOPQTLYSUWXCKA-APPUJDCNSA-N	239.447	4.639	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)C1=CC[C@H](C)CC1	2010622067	CXCHIQTTXCGTLN-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C=CCC(C)(C)C1	2012050866	GCRKMIJJEIGCJU-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC(C)CC[C@@H](C)NC1CC(CC(C)(C)C)C1	2014658595	SGULWEVWOUDCJY-WLYUNCDWSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CC(C(C)C)C(C)C	2015273002	DZIIBKMACQCMGL-GOEBONIOSA-N	241.463	4.704	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CC(C(C)C)C(C)C	2015275348	PGJQWSXIMYLQER-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)C(CC)(CC)CC	2015280017	BNZUOIUQDSRNDC-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(CCC1(O)CCCCCC1)C(C)C	2015334022	DVLMMDLXCMYEPX-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CCN(C)CC(C(C)C)C(C)C	2015334425	OASPVUMJSAPBHA-UHFFFAOYSA-N	241.463	4.673	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CCC(C(C)C)C(C)C	2015393137	AKIAKHPGVZKVCR-AWEZNQCLSA-N	240.431	4.946	0	10	BJAE	
CCC1(C[C@@]2(O)CCC(C)(C)C[C@@H]2C)CCC1	2015594972	JWSBVSBLFMBURL-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](O)(CC1(CC)CCC1)[C@H]1CC1(C)C	2015600232	ZHDUZZYCJVAOIP-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(O)C2(C)CC2)CC1	2017650427	GYRNSJNLYVQNKD-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)CCCC(C)C)CC1	2017663790	YMBCHHGTJKWZCG-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H]1CC[C@H](C)CC1	2017726502	ZJWIEIJPTDNZHG-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@]2(CN)CCC[C@@H](CC)C2)CC1	2018974227	KIEWAVYGGBCXSX-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@@H](C)N(C)[C@@H](C)C1(C)CCCCC1	2019304168	RTEGCNSSTVBSMB-CABCVRRESA-N	239.447	4.712	0	10	BJAE	
CC1(C)CCC(=O)[C@@H]([C@H]2C=CCCCC2)CC1	2019536601	NKGMZONBWZWYBH-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
C[C@H](CCC1CC1)Nc1ccccc1C1CC1	2021026990	MCKKCULILYRWRF-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CCSc1cccc(N[C@H]2CCC3(CC3)C2)c1	2021770292	DGLIWFZQIUSHGZ-ZDUSSCGKSA-N	247.407	4.543	0	10	BJAE	
CC(C)(C)CC(C)(C)NCCCCC(C)(F)F	2023297173	OMDZCJAZVJKJGY-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
CC(F)(F)CCCC[C@@](C)(O)C1(C)CCCC1	2023310323	VDAOOLAALRCTMP-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCCNC12CCCCC2	2024624982	YAQNVDBFUBRIEN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](O)c1ccc(-c2ccccc2)s1	2025593626	ADXBFDSDNFFRHK-ZDUSSCGKSA-N	246.375	4.639	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC[C@H]1CC1(F)F	2026074466	MNBQYTJTLDUQKI-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
c1sc([C@@H]2CCCCC23CC3)nc1CC1CC1	2026541052	UBRMYOKSRQOCTR-ZDUSSCGKSA-N	247.407	4.533	0	10	BJAE	
c1sc(C2C[C@H]3CC[C@@H]3C2)nc1C1CCCC1	2026603537	PJIQKJZHAVOCMN-VXGBXAGGSA-N	247.407	4.704	0	10	BJAE	
Cc1cc(C)c([C@H](N)CCCC2(C)CC2)c(C)c1	2027824376	ZXWDKKFWDIWSFQ-OAHLLOKOSA-N	245.410	4.582	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1cccc(C2(C)CC2)c1	2028551570	HLUXLZOAENGSLC-ZDUSSCGKSA-N	244.378	4.603	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1ccc(C2CC2)cc1	2028606534	WSEJAUNWWHSPEL-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@@H]1CCCC12CC2	2028636105	FWTBOQRRKCJSBI-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(=CC1C[C@H](C)C[C@@H](C)C1)C1CCC(N)CC1	2031802349	WDWURVYOCQLGJQ-QJRTVWDNSA-N	249.442	4.523	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)c1ccc2ccccc2c1	2032343049	BKESJHFDRRLLOZ-INIZCTEOSA-N	241.378	4.522	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1C[C@H]2CC[C@H](C1)C2	2033093028	FQISEKIESOGAAH-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CNCC1(C[C@H]2C=CCCC2)CCCCCCC1	2035603943	XSDWPYZDENVJLT-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc2[nH]c3c(c2c1)[C@H]1CCCCC[C@H]1C3	2035860308	FANMWMSTMNVMAD-STQMWFEESA-N	239.362	4.696	0	10	BJAE	
C[C@](N)(CC[C@@H]1C[C@@H]1C1CC1)CC1CCCCC1	2037129978	IOJUXDNKPBDTBS-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@H](N)CCCCCC2CC2)C1	2037207482	XQKXSGNPPDLSRI-IAOVAPTHSA-N	249.442	4.667	0	10	BJAE	
CC[C@](N)(c1cccc(C)c1)[C@H](C)CCC(C)C	2037210097	QLXZLWRGNNDDDZ-NVXWUHKLSA-N	247.426	4.631	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@H]1CCCC1(C)CC1	2037221059	PPTGXBXYHJYEOF-KBPBESRZSA-N	243.394	4.802	0	10	BJAE	
C[C@H](C(=O)[C@H]1CCC2(CCCC2)C1)C1CCCC1	2037683704	UVFSUGMKGLBVAM-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]([C@@H]2CCC(C)(C)C2)c2ccccc2N1	2037696216	XXIIELYHPKSELO-UMVBOHGHSA-N	243.394	4.801	0	10	BJAE	
CN[C@@H]1C[C@@H](CC2CCC=CCC2)CCC1(C)C	2037863259	LLTLKCZOYXGJSB-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc(C(=O)CC2CC(C)(C)C2)cc1	2037980101	UGZQQGRIJPWDJM-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H]1CCC2(CC2)C1)C1CCCCC1	2038570368	CIJOQQSGCCDRHI-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@@H]1CC12CCCCC2	2038999284	JNTJNFQROLDNFG-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)c(C(=O)[C@@H]2CCC[C@@H](C)CC2)c1	2039379188	ZGTOJKPRHVMICW-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)c2cccc(C)c2)CC1	2041373335	TWWNJRVYTBTEES-VYDXJSESSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@H]1CC=CCC1	2042019775	QZJWZLALFXAQAL-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CC23CCC(CC2)C3)C1	2045392653	WQUJUZLHZMFNQJ-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
C(=Cc1cccs1)/C=C/c1cccs1	2048404511	SEIGKYBFMXSLAH-XBFGBUBWSA-N	218.346	4.536	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCC2)CCCC(C)(C)C1	2049512596	UPRLSPCFIFBUJM-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@H]1CC[C@H](C)CC1	2049684068	LPXDDMWRSYLKDA-ZQIUZPCESA-N	245.410	4.636	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@]2(C)C=CCCC2)c1	2050007300	DMPHSWQLGQMDFL-IRXDYDNUSA-N	244.378	4.590	0	10	BJAE	
CC1(C)C[C@@H]1CCCCC(=O)c1ccccc1F	2050494587	KRHVHYILIWVLPF-LBPRGKRZSA-N	248.341	4.615	0	10	BJAE	
CCC1(CC)CCC(N)(c2ccccc2C)CC1	2051595747	OKEHATWLVBHQRL-UHFFFAOYSA-N	245.410	4.529	0	10	BJAE	
C[C@H]1CCC[C@@H](N(C)C2CCC3(CCC3)CC2)C1	2051644836	HQPCMHHQHXEJBO-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CCCC[C@H]1C1CCCC1	2051672630	VFWMVPTUUYROGR-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CC(CC(=O)C2(C3CCC3)CC2)C[C@@H](C)C1	2051905651	NKAJOMDQXCESTD-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)[C@@H]1CCCCC12CCC2	2053410288	DWIZWPGEQAFTSX-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](NC2CCC3(CCCC3)CC2)CCC1	2055549573	MDJDOHNLLYPGNQ-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@@]1(C)CC=CCC1	2056872190	APXVWGQWTPEKPT-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@]3(C(C)C)C[C@@H]23)c(C)c1	2058561200	BRLJEFKHTLSNOU-UAGQMJEPSA-N	243.394	4.540	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)C2=CC[C@@H](C(C)C)CC2)C1	2061089617	VAYNYOKXROBLRD-JHNDHUHGSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)C2CCCCC2)CC1	2061094027	CFUZGGAEBBLZSU-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C1=CC[C@@H](C(C)C)CC1	2061149394	CLQOMJWQKQFVGY-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC[C@H]1C[C@@H]1C)CC1=CCCCC1	2062645506	GBYKTMBFZIHRKK-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CC[C@H]1C[C@@H]2CCC[C@@H]2C1)CC1CCCC1	2063499496	BAEVIRSOWLPBMY-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC=C[C@@](N)(CC2CC(C(C)(C)C)C2)C1	2063651085	YAFWINUAFFTKBH-MQBCKMQZSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC([C@H](N)CC23CCC(CC2)C3)CC1	2065272723	KXIACWDCEPDPQR-GNHJJJEISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1NC1CCC2(CCCCCC2)CC1	2065897388	OLNSPJPPUJUMMF-FOLVSLTJSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(OC)c(C)c1	2065990008	JLHMNGXUCMQXDZ-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CC(C)c1cccc(NCC(C)(C)C(C)(C)C)n1	2066348283	AHYVNQRVOUOJFX-UHFFFAOYSA-N	248.414	4.689	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](CC23CCC(CC2)CC3)N1	2066378825	SWSXLQHCMYSTNX-YZUHTNEWSA-N	249.442	4.514	0	10	BJAE	
NCC1(C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCCC1	2068775594	PDBHLBWYGRLJIR-PHZGNYQRSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc(N(C)CCC(C(C)C)C(C)C)cc1	2068997382	MSCCYBJPEPEVSX-UHFFFAOYSA-N	247.426	4.750	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@H]2C=CCCC2)CCC1	2069336694	CLVMXDCKMSGFQB-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2CC[C@@H]3C[C@H]3C2)CCC1	2071923698	HPROFZUUZQWERJ-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@H](N)CC1(C(C)C)CCC1	2071947319	YVJYSTCZPNAWAB-OAGGEKHMSA-N	249.442	4.523	0	10	BJAE	
CC(C)C1(C[C@]2(C3CC3)CCCCCN2)CCC1	2071954530	WIMCOYUNORGERZ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H]1CC2CCC1CC2	2072416910	KHWOOUXCIFUJCL-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@@]2(C)CC=CCC2)CC1	2072790912	KRLZQBXSSQFUHZ-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CCC[C@H]3C[C@H]32)CC1	2072805928	HCOKKUNRERNHPX-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](C)c2cccc(N)c2)CC1	2072807953	BCGDDGGATAPLRP-KKUMJFAQSA-N	245.410	4.979	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2CC[C@H]3C[C@@H]32)CC1	2072876188	XBPRAYQTKNKMKY-NEADZQPHSA-N	248.410	4.598	0	10	BJAE	
CC1(C=C2CCNC3(CCCC3)C2)CCCCC1	2074131895	FFXCCUKFSFNKQV-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCCC1(C[C@@]2(CNCC)CCCC23CC3)CC1	2074628841	JFFLNRMLPGIBRW-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CN(C1CCC(C)(C)CC1)[C@H]1C=CCCCCC1	2074811381	VGZMIGSFWGOZSM-HNNXBMFYSA-N	249.442	4.776	0	10	BJAE	
CCCC[C@H](CC)CN(C)c1ccc(CC)cc1	2074908515	JZHRZODZEXMEKP-INIZCTEOSA-N	247.426	4.902	0	10	BJAE	
C[C@]12CC[C@@H](Nc3ccccc3C3CCC3)[C@@H]1C2	2077264863	CIVPWYLZKQTZKZ-USXIJHARSA-N	241.378	4.555	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C[C@@H]2CCNC2(C)C)CC1	2077984483	QEWQAFCSUUWCAW-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1cccc(CC(C)C)c1	2079473267	KALMYAGGTMYPKK-GOEBONIOSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1C[C@@H]1c1ccccc1	2079557375	IWNXBEYEKXKTBM-BRWVUGGUSA-N	246.394	4.512	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2C[C@@H]2C2CCCC2)C1	2079664046	CUWIVQCYYPEBKD-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCCCCCC(=O)C[C@H]1C[C@H]1c1ccccc1	2079852980	TVMVNJVNSMGGPN-RDJZCZTQSA-N	244.378	4.720	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)c1ccccc1C1CC1	2079853109	TXZTULYPVVWMJM-ZIAGYGMSSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)CCC1CCCCC1	2080256154	MOERPIPBGZEUAW-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC(C)=CCCN(C)[C@@H]1CCC[C@H]2CCCC[C@H]21	2081138449	VYNJBPHWMNFODD-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CCc1ccccc1[C@H](C)Nc1ccccc1C	2081207203	RVMRJLDYKHCKRQ-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1cccc(CC)c1	2081788148	XTLRFDWXRJYASI-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CC1(C)CC(CC(=O)[C@@]23CC[C@H]2C3)CC(C)(C)C1	2082986481	MMPBHYMTSLLOIW-SUMWQHHRSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1C[C@H]2CCC[C@H]1C2	2086154264	RYNUHRNZNLWXSM-GRDNDAEWSA-N	243.394	4.801	0	10	BJAE	
C(=C/c1ccccc1)\CC1[C@H]2CCCC[C@H]12	2210662978	VZPLZVCXYDXKBZ-AOEIMKSNSA-N	212.336	4.526	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)CCCCCCC1CC1	2213582836	MAOVBWPTSYAWJY-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1cccc(NCCCCC(F)F)c1	2216450103	UFLRIBBOUYIGDF-UHFFFAOYSA-N	241.325	4.657	0	10	BJAE	
C[C@@H]1CCC[C@H]1N1CCCC12CCC(C)(C)CC2	2218015224	PZLPRMMDDRMEJO-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
O=C(C[C@H]1C=CCCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218339590	LRBNGINHDIVCGU-JONQDZQNSA-N	246.394	4.518	0	10	BJAE	
CN[C@@H](CCCCC1CC1)[C@H]1CCCC2(CC2)C1	2220046500	TUXJUDXMANSXGM-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@](C)(N)[C@H]2CCC2(C)C)CC2(CCC2)C1	2221021807	AKQIUXNMYLOGMA-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@](C)(N)[C@]23CCCC[C@H]2C3)C1	2221034322	PPYDONXPGJTGCZ-JQFCIGGWSA-N	249.442	4.501	0	10	BJAE	
NCC1(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCC1	2222973630	QWNPSVYJMGIBLY-BZUAXINKSA-N	249.442	4.502	0	10	BJAE	
CCCC(C)(C)[C@H](NC)c1ccc2occc2c1	2224145383	GXKXOTRKBIPPHR-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@](C)(N)CCCCC[C@@H]1C[C@@H]1C	2243907601	JDRDGJLKLIKMJL-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCC(=O)[C@H](C)CC[C@H](C)CCCC(C)C	2244850670	GQGFHVAWQVMZDQ-ZIAGYGMSSA-N	226.404	4.844	0	10	BJAE	
C[C@H]1CCCC[C@@]1(N)CC[C@H]1CCC[C@@H](C)C1	2246724187	CKQZZQVTEOXDAN-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CCCC[C@H]1C[C@H]1C	2247152045	XKPOLHUNLWTCSB-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C(F)F)[C@@H](C)CC	2250112409	NZMGJHZKJSELCE-YNEHKIRRSA-N	249.389	4.615	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@H]1CC12CCCCC2	2250353675	XAPBOLQZEWGFDC-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@@H](CC)CCC	2250355410	AXMCWQITDOYJSI-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)C1CCCC1	2250469751	SBSMFVMWJGTDOB-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC1=C[C@H](N)[C@H](CC[C@H](C)CCCC(C)C)C1	2250480672	HGZJGIVKWQKHOD-BMFZPTHFSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CC[C@]1(C)NCC[C@@H]1CCCCC12CC2	2253885803	FSRVYURHAJMKGU-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)CC2CC3(CCCC3)C2)c1	2254116498	UJFZJDXZRAKYDV-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C[C@@H]1CCC12CCC2	2255020241	YESSCRFTLOAKEU-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@H]1CC[C@H](C)C[C@H]1CC1=CCCCC1	2255095761	HITFPRKMVZORMU-XIRDDKMYSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCC[C@@](CNC)(CC2=CCCCC2)C1	2255103216	NLTBXHFNSDEGHO-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H](NCC[C@@H]1CCCC12CC2)C1CCC1	2255239524	DRFRCZXJAWWCIR-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@](O)(CC[C@H]2CCCC23CC3)CCC1	2255319294	CPUGXKWKGNCGRJ-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCCC[C@H]1C[C@H]1C)c1ccoc1	2257258724	VYRCKMNKLBVKRT-IJEWVQPXSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H](CC)[C@H](N)Cc1ccccc1C(C)C	2259476550	BJWTXHYOJQVQFI-WMLDXEAASA-N	247.426	4.506	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@]12CCC[C@@H]1CC2	2260531441	BTVWFGNOJGTVIY-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CC(=O)C[C@@]12CCCC[C@H]1CC2)C1CC1	2260582091	HSXVZPWPDAKQDB-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2260601420	IGNKUOFZBMBRMD-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@]23CCC[C@@H]2CC3)C1	2260658716	QTFXTYPEOIUNPU-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@H](O)c1csc2ccccc12	2300880204	JVGNANSYAPFAIK-AWEZNQCLSA-N	246.375	4.681	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@@H](C)[C@H](C)C(C)C	2301828137	GXIHNMIHUOSZMI-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C[C@H]1CCC[C@H]1N	2302625223	QLSUDYJMQUTMQN-HRCADAONSA-N	237.431	4.523	0	10	BJAE	
CCC[C@](O)(CC[C@H]1CCC(C)(C)C1)C1CC1	2304352852	WCNNQBYKMGWBLW-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)(F)[C@@](C)(F)CC/C=C/c1ccccc1	2307745237	VUWJOUBGEQLTGQ-USYSOWRXSA-N	238.321	4.956	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CNC)C1CCCCC1	2307835470	QTZXRJPKHRJDBN-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1CC[C@@H]2CC[C@@H]21	2308176386	QCXLTMYLGACZRM-YDHLFZDLSA-N	243.394	4.585	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)C[C@H]1CC[C@@H]2C[C@H]12	2308937108	NRINHVLMZDARRT-KLZNWCGWSA-N	246.394	4.518	0	10	BJAE	
N[C@H]1CCC[C@@H](C[C@@H]2C[C@H]2C2CCCCCC2)C1	2311577731	KFOFAUYCGVWONI-ORQFMDKSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H]1C[C@@H]2CC[C@H]1C2	2312899067	IIVCULOTYVZEHI-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H](C)CC2CCC2)cc1	2313613313	ULMKVXIGXAUEQQ-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CC[C@H](C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2)C(C)C	2317142407	FYBUFTUHPNFEJF-WCVJEAGWSA-N	248.410	4.620	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)c1ccc(C2CC2)cc1	2317831284	NBECUHUEECFPHY-QWHCGFSZSA-N	244.378	4.675	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@H]2CC3CCC2CC3)C1	2319125383	CFBWVAZKHINNHZ-SHWKFHJASA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@H]1C=CCCCC1	2320155883	FOVYWYYVCZOYOA-RRFJBIMHSA-N	248.410	4.764	0	10	BJAE	
CCc1cccc(OC[C@@H]2CC[C@@H]2C(C)(C)C)c1	2320255345	NIIVGHYXEZNPED-HOCLYGCPSA-N	246.394	4.700	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CC(C)(C)C[C@H]2C)CC1	2320412018	HENWCTIIVHICEZ-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@H](N)c2cccc(C3CCC3)c2)CCC1	2320655740	SHXYJAMIEMMEFI-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCC[C@@H](CC)CN(C)CC1CC(=C2CCC2)C1	2328104869	MOTXVRXHNKSYAN-CQSZACIVSA-N	249.442	4.635	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)c1ccccc1CC	2328200336	NOVVJKDRKAXJJG-YOEHRIQHSA-N	248.410	4.673	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CCc1cccc(C)c1	2328268986	MPSHRXPGXMFDBB-OAHLLOKOSA-N	246.394	4.713	0	10	BJAE	
CCCCO[C@H](CCC)Sc1ccccc1	1688909	BRKRLXUHABGGEF-AWEZNQCLSA-N	238.396	4.722	0	10	BJAE	
CCCCN(CCCC)c1ccc(C)c(C)c1	34127785	NJSLSVMUYRUPRR-UHFFFAOYSA-N	233.399	4.710	0	10	BJAE	
CCC[C@H](N)c1ccc(-c2cccc(C)c2)s1	34974774	FVUCBYMGCSSPPS-ZDUSSCGKSA-N	245.391	4.523	0	10	BJAE	
CC[C@H](C)CNc1ccc([C@@H](C)CC)cc1	36953307	KBKPKRNXRYIKOL-STQMWFEESA-N	219.372	4.658	0	10	BJAE	
CCCCCCNc1ccc2sccc2c1	36975755	CJAMLEWEYQVQNZ-UHFFFAOYSA-N	233.380	4.894	0	10	BJAE	
Cc1ccccc1Nc1ccnc2c(C)cccc12	41055137	GCTKVMMLBUONQR-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccc(F)c(C)c1	70978399	FGHWVBBZDGNDKW-SWLSCSKDSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1sccc1C	82676527	XJAKSAONXXKZSQ-QWHCGFSZSA-N	240.412	4.696	0	10	BJAE	
CCCCC[C@@H](CC)NCc1ccc(C)s1	83367476	JDWSAHVHDPVUHH-CYBMUJFWSA-N	239.428	4.505	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](Nc2ccsc2)CC1	85529059	XUUIJMLNJKMYSY-CHWSQXEVSA-N	237.412	4.909	0	10	BJAE	
CCC1(C(=O)c2sc(C)cc2C)CCCC1	88047310	HRUXTFWVAMMOQA-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCC(=O)C[C@H](C)Cc1c(C)cc(C)cc1C	107532525	YZIAECGGWANTJD-ZDUSSCGKSA-N	246.394	4.550	0	10	BJAE	
CCCC[C@H](NCCC)c1cc(C)c(C)s1	124619161	BXLFLIUYVIXJRC-ZDUSSCGKSA-N	239.428	4.596	0	10	BJAE	
CCC(CC)C[C@@H](CNC(C)C)C1CCCC1	128280065	SZVCBGPUZSRSNC-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC(CC)CC)NC	133384250	KOBMQDWOOYEPHO-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@H](O)CC[C@H]2C	136938165	LAOSMSGNWFMBJV-MLGOLLRUSA-N	246.394	4.864	0	10	BJAE	
c1ccc(CSc2coc3ccccc23)cc1	141644007	AZTCFSSJAZINIW-UHFFFAOYSA-N	240.327	4.725	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCC[C@@H](C(C)C)CC1	148001378	ZLFHZDLXPKUALB-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
Clc1ccc2nsc(-c3ccccc3)c2c1	149761660	PDEMCBLTVSFORZ-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC(C)(C)C[C@@H]2C)c1	155832680	FEQZGOPOGHYHJC-LSDHHAIUSA-N	245.410	4.930	0	10	BJAE	
Cc1cccc([C@@H](N)C2CCCCCCC2)c1C	158982959	GFWMRQAUUOLZCT-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
CCN[C@H](CCC1CC1)C1CCCCCCC1	159092467	MUAPNXKRQXUASJ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCC1CCC([C@@H](CCC)NCC)CC1	167266915	TWCUCOFIBJKLEX-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCC[C@@H](C)C1	217904497	OJAPSDHFFJTJJB-ILXRZTDVSA-N	238.415	4.988	0	10	BJAE	
CCCCCCC(=O)c1ccc2occc2c1	220762451	WUYRBRWIGALZEV-UHFFFAOYSA-N	230.307	4.586	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@@H](C)[C@@H]1C	221691079	SNMXORDIHOSSAO-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNCCCC2CCCC2)C1	225103566	VEOKIADTBIVOGF-WMLDXEAASA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)c2ccc(C)c(C)c2)C1	227390758	OTJNZGCJFGTJHW-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)CC(CC)CC	229159750	DFEBFXVKYCXZMM-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC1CC1)c1cccc(C)c1C	229549072	BTVBVOZAOVPSRV-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)CC2CCC2)c(C)c1	229690286	BNOFCXFQZXRXDN-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
CC(C)C[C@H]1CCC[C@H](Nc2ccccc2F)C1	230765567	ICSVVYANLQIYTP-KGLIPLIRSA-N	249.373	4.843	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H]2CCC[C@@H]2N1	300117793	WKYKHCBGQJEHGI-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)CCC1CCCC1	300902749	LCRXLHLJPKDXMB-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CCCC(C)(C)C	302258874	DNMQCORHUVDMJR-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](C)(CNCC(C)C)[C@H](C)CC(C)C	302501614	AHQKJOQMDHMFDJ-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
Cc1ccc(C(=O)C[C@H](C)CC(C)C)cc1C	304169796	KUBTYLBNUYEIND-GFCCVEGCSA-N	232.367	4.558	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1CCC(F)(F)C1	304189760	QXGOUFMLCLBXEI-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC(C)NCC/C=C/C[C@H](C)C1CCCCC1	310379636	BYGIMLRRLXDYAT-NFAHFFEMSA-N	237.431	4.537	0	10	BJAE	
CC1CCC(C[C@H](C)C(=O)c2ccccc2)CC1	310987926	KTXKVXXNXUKRGM-SLTAFYQDSA-N	244.378	4.722	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1ccsc1Cl	312538417	PXWHDMDBGBKSEU-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CCNC[C@]1(C(CC)CC)CCC[C@H](CC)C1	317537891	AQBGXKJQTVULJU-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@]1(CC2CCCCC2)CC=CCC1	318899783	JUJSUUPLCKUODZ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1(C)[C@H](N)C12CCCCCCCCCCC2	379791164	LECOGGCVZCIEDE-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@H]1CCC[C@H](C)C1	380010095	BJCWRHPAMROBMG-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CCCc1cccc([C@H](N)C(C)(C)C(C)(C)C)c1	381052424	ZLCMEJVPIFRARE-HNNXBMFYSA-N	247.426	4.711	0	10	BJAE	
CC[C@H](N[C@H]1CCC12CCCCC2)C1CCCC1	382814202	WFHOPHHJERMXRR-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](CCCCCC(C)C)NCC	383155934	PDRWFJAZPVXBFT-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CCCCCC(C)C)C1	383246161	VUUBJDOQTGEKEN-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)CCC(C)C	391165711	DJYPIPKKNPJLEP-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)CCc1ccccc1	394821511	POSYVUSKYOENLW-UHFFFAOYSA-N	246.394	4.795	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC2CC(C)(C)C2)CC1	395168174	FDVXLDFQOFAGLN-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](N[C@H](CC)[C@H]1CC1(C)C)c1ccccc1	397622318	LPNRFKCLMFZEFL-OWCLPIDISA-N	245.410	4.552	0	10	BJAE	
CC(C)CCCCCCNC[C@H](C)C1CCC1	398797292	UZOWLKMWZACCLM-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
O=C(CCC1CCC1)c1ccc2sccc2c1	398803316	WIAZDEXLYIUZIR-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	403666015	UHLNZXYVKRLIEQ-SNPRPXQTSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H](C)CNc1ccc2c(c1)CCCCC2	404786914	SVBIEJWHPFSBLR-AWEZNQCLSA-N	245.410	4.660	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)C1CCCC1	688938855	LSTLBQJEMJJWBY-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CC(C)c1cccc([C@H](C)CCNC(C)(C)C)c1	688970274	DLGOYCCIKRHMIC-CQSZACIVSA-N	247.426	4.692	0	10	BJAE	
CC(=O)c1ccc(-c2cccc(C(C)C)c2)cc1	688980425	LUSJEFFDETVTEN-UHFFFAOYSA-N	238.330	4.680	0	10	BJAE	
FC(F)c1ccccc1SC(F)(F)Cl	689642516	GDJWMOWUAKXUIX-UHFFFAOYSA-N	244.640	4.505	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)CC1CCCC1	689783756	PAOGMEJZUUUNCB-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCCC1(C)CCCC1	691090666	SLJUQTCCMKWHIO-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@H]1CC2CCC1CC2	691696369	HJEQAEDGERHSHU-UYSNPLJNSA-N	246.394	4.662	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1CC2CCC1CC2	691774062	FEQFZQVEVBBXPI-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@]12CCCC[C@@H]1C2	693182705	MOKMAPCERCFGGU-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CC[C@H](CC)CC1	696674779	ZUBIHHILWWDGEV-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)CCOc1cc(F)ccc1Cl	696799630	MISFWAWIAJSKEB-UHFFFAOYSA-N	244.737	4.684	0	10	BJAE	
CCC1CCC(N)(CCC(C)(C)CC)CC1	696805408	IXGJCCZLODRDQS-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCC[C@@]1(O)CCCC[C@@H]1C(C)(C)C	697596932	BYUDXXBQUPXDSJ-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCNC[C@]1(CCC=C(C)C)CCC[C@@H](C)C1	698032116	JQEAGYRUADWPPP-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCc1ccccc1O[C@@H]1CCCC[C@@H]1CC	699505895	HVFWNMKQJXIGMD-GOEBONIOSA-N	246.394	4.987	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)[C@@H]1CCCC[C@H]1C	704807625	CCLUWHMXBLJUJF-HOHBSUDPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)c1cccs1	704888294	DVKQLGROKLDQNY-OCCSQVGLSA-N	239.428	4.529	0	10	BJAE	
Cc1ccc(C(N)(CC(C)C)CC(C)C)cc1C	704909888	QTEOIWIDOXOWOM-UHFFFAOYSA-N	247.426	4.550	0	10	BJAE	
CCCCCC(CCCCC)NCC[C@H](C)F	705782167	XGQZRMIQJCOSAD-AWEZNQCLSA-N	245.426	4.853	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@H]2CCC[C@@H]21	707736288	IGXTUVYIWPVQNH-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@@H](C)CC(C)C	708306222	ZTXQPEMCPLSGCT-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCCNCC/C=C(/C)C[C@H](C)CC(C)(C)C	709089376	SUUPOIFIGYFTKW-MZLJFPOFSA-N	239.447	4.785	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)c1ccc(Cl)cc1	709246248	CBQMGPRGWNLGPV-SNVBAGLBSA-N	238.758	4.595	0	10	BJAE	
CN[C@@H](C1CCCCCC1)C1CCC2(CC1)CC2	709939446	MYEDKSINYLBMPR-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CCC[C@@H](O)c1ccccc1)C(C)(C)C	710718675	MGHNYDHIDXISNY-DZGCQCFKSA-N	234.383	4.573	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C12CCC(CC1)C2	710983404	XTOJDOJSJQTFNV-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C[C@H](N)[C@H]1CCCC[C@@H]1C)C(C)(C)C	711193719	SZDJUHACFGYTHP-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H](C1CCCC1)C1CCC1	711830015	BHOPVKACLGPHHS-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CC(C)(C)CC[C@@H]2C)c1	713056445	DGKIFNKCDPFOOX-HOCLYGCPSA-N	245.410	4.930	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C1(CC)CCCC1	713134721	QFHJHDVNZBDNIG-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C1CCCC(CN[C@@H]2CC[C@H]3CCCC[C@@H]32)CC1	714313878	DMKYACXXOMYRDJ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1c2cc(C)ccc2[C@@H](CC)[C@@H]1CC	714356856	POLUQIBPZJTIGT-ZQIUZPCESA-N	245.410	4.569	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC1CCC=CCC1	718054620	XRGNAJLMBSTSTF-OIISXLGYSA-N	249.442	4.536	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C1CCCCC1	718655448	XZWDQNGWKIWOSJ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C/C(=C/Cl)CSCC1CCC2(CC1)CC2	1307334347	PIVGKANGINLJLU-FLIBITNWSA-N	244.831	4.833	0	10	BJAE	
CCCC[C@H](CC)CN1Cc2ccccc2[C@H]1C	1473669489	NPNZOZVVKPTQRT-CABCVRRESA-N	245.410	4.780	0	10	BJAE	
CC[C@H](C)CN[C@H]1CCCCC12CCCCC2	1875413532	BXUKQPRYRJRLAZ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@](C)(O)CC1CCCCCC1	1901103128	SRFXKJGCPOKMAR-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CC(C)(Cc1ccccc1)CC1CC=CC1	1901208939	KNMLADKAPSLXOT-UHFFFAOYSA-N	214.352	4.612	0	10	BJAE	
CC[C@@H](c1nc([C@H]2CC2(C)C)cs1)C(C)C	1901913215	XGVZTSBCCXEUKL-GHMZBOCLSA-N	237.412	4.806	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](NC)c1cccs1	1905435547	RULVLVDOYXMLJC-QWHCGFSZSA-N	239.428	4.615	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1(CC)CCCC1	1905436323	YYGCVPWZDWTHDY-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
C[C@H](C[C@H](O)CCC[C@@H]1C[C@@H]1C)CC(C)(C)C	1908572690	WKTXBOWUYVVDEW-LXTVHRRPSA-N	240.431	4.636	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(CC)s1	1911799284	MELCKBKVXSBJGT-NSHDSACASA-N	208.370	4.770	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(OC)cc1Cl	1911826284	BMNDQGIFBBTPGE-LLVKDONJSA-N	238.758	4.808	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C=C(C)CNC(C)(C)C	1911894858	RFSDOAHKQNUBHM-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H]1CCCCCCCCC1=O	1913380616	MLUHDLFBXKYLFJ-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
N[C@]1(CC2CCCCC2)CCC2(CCCCC2)C1	1915890246	ACSCEDRHRBLZER-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H](N[C@H]1CCC2(CCCCC2)C1)C1CCC1	1915921924	FNZZRLPNEFWAFZ-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCCCC[C@H]1C(=O)C[C@H]2CC[C@H]1C2	1916078449	FUBHQSQTNFVOIC-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H](C)CC(C)C	1920193865	MZZRZRNDZMIHEP-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)c1ccc(C2CC2)cc1	1920206105	YJFZMEFDGVBNIL-SUMWQHHRSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C1CC(CCC)C1	1921276233	FEQPDSADHMWHRF-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C(=O)CCCCCC(C)C)C1	1921282606	XYCLWRDEYURLMW-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CCCC[C@H]1NC1C[C@H]2CCC[C@H](C1)C2	1923480498	NGDWUEZZHIKVBD-OFQRWUPVSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H](C)C1CCCC1	1924139757	SIRMIPJEXRNGGD-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)[C@H]1CCC[C@@H]1C	1925892685	PKDDTGHLRYTGRG-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1csc(Cl)c1	1928732029	ZJQQLNXYVJGRLT-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
C=CC=CCCc1csc2ccccc12	1930912374	CKLMSYDDDPMASG-UHFFFAOYSA-N	214.333	4.576	0	10	BJAE	
CCC1(C(=O)c2csc(Cl)c2)CCCC1	1933555906	BFZVDNDKBPETNU-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H](C)C(C(C)C)C(C)C	1940245469	KFDWAVJYKMCJFO-GJZGRUSLSA-N	241.463	4.717	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@H](C)C(C)(C)C	1940414574	JPPOVFDMDGJRBS-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
c1cc2cc(N[C@H]3CC[C@H]4CC[C@@H]34)ccc2s1	1941020983	HFAKFIRWWASMEW-HONMWMINSA-N	243.375	4.502	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C1=CCCCCCC1	1941265722	XAZJRYAIKFTZHC-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@@H](CC)C(C)C	1941266710	IXDGZPMACQMFTL-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](NCCC)[C@H](CC(C)C)C(C)C	1941266821	KDBQANYOVJQQCS-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CC1(C)CCCCC1	1941271249	COFQMFDVGVXIFC-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CC[C@](N)(CCCC1CC1)CC1CCCCC1	1941584342	NZBLCHZULMRSJH-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CCC)NC1CC(C2CCC2)C1	1942155379	YRTQOZRVDUQUGZ-HWOWSKLDSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@](N)(CC)CC1C[C@@H](C)C[C@H](C)C1	1944197267	ANHNUUXTPHAYHO-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CC(=O)CC1CCC(C)(C)CC1)C1CC1	1944594661	VMBDLUYVYRFBCZ-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)CC1(O)CCC2(CCC2)CC1	1944601005	ZGOUPGVLUVAOSF-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cc(C)cc(C)c1	1947460829	LJSNJHNVSZQURG-ZBFHGGJFSA-N	231.383	4.684	0	10	BJAE	
CCC[C@@](O)(CCC(F)(F)CC)C1CCCC1	1947886023	ZMLFOVDEZIAKQA-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC(C)c1csc2nc3c(n12)[C@H](C)CC[C@H]3C	1948482554	PCXGFWFURWAZOI-NXEZZACHSA-N	248.395	4.520	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC(C)(C)C)CCC1(C)C	1949662681	RGBHJQICDQKGKF-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCCC[C@@H](N)CC1CCCC1	1949869205	JSMJDGUWRZNFSO-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H](O)[C@@H]1CCCC(C)(C)CC1	1950913298	GCYUNEUQZHDYRB-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(OC[C@@H]2CCCC(C)(C)C2)c1	1968270219	JDMZVEKCWGAPDC-CQSZACIVSA-N	232.367	4.590	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2CC[C@H](C)C2)cc1	1968401825	QOAATWJXCUMINP-UONOGXRCSA-N	232.367	4.625	0	10	BJAE	
CCCC(C)(C)C(=O)CC1(C)CCCCC1	1976011033	QWMYVAAVZNETGB-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCc1nc(C2CCC(CC)CC2)cs1	1980226181	JSBYZBXZNNUZON-UHFFFAOYSA-N	237.412	4.779	0	10	BJAE	
CCC[C@H](NCC)C1(C)CCCCCCC1	1981416835	TVJIDELQXGIPBA-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC=CCCCn1ccc2ccc(Cl)cc21	1984590434	BVUWKVLYFVOBNS-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
Cc1ccc(C(=O)C[C@H](C)C(C)C)c(Cl)c1	1988300853	SQTPMJUVKRXQPK-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
CCCC[C@@H](N)CC[C@H]1CC[C@H](CC)CC1	1989813202	ZFVAIOSNPRMBAZ-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@](C)(N)C[C@H]1CC[C@H](CC)CC1	1989815407	ZRPGPJQGKWMQPP-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@H](CC)[C@@H](CC(C)C)NCC	1990093801	OROAXCUNZGTGQA-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CCCC2(CCC2)C1	1997039558	LXJLJJRIICCKJU-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](C)NC[C@@H]1CCC[C@@H](CC)CC1	1997098957	ABJGLJMVNNLCRS-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N)ccc1S[C@H]1CCCC(C)(C)C1	2000047922	LAUFALPIAWSKQX-ZDUSSCGKSA-N	249.423	4.638	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@@H](C)C1CCC1	2000504406	HWPCJSVQBJYGRN-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCCCC1(CNC2CCC2)CCCCC1	2000661512	NMFLXPHTSBIUBN-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCC(C)(C)CC1(O)CC2(CCCCCC2)C1	2000670474	PIWKMBLUVOKXQT-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC(CCC)C(=O)[C@H]1[C@H]2CCCCC[C@H]21	2002782729	SDAXRTHKLHFDRE-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@]1(CNCC)CCCC(C)(C)C1	2002972107	OKJHFCYAPKCBPW-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CNC[C@]1(CCCC(C)C)CCCC(C)(C)C1	2002994117	QSISARXRBSIGSX-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC1CCC([C@@H]2CCCCCCC[C@@H]2O)CC1	2003120030	XNWSUMHQDZABST-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1(C)CCCC1	2004228937	QSDANPDRFCSLGX-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCNC[C@]1(C[C@H](C)CC)CCCCC1(C)C	2005584910	APGOQKAGRIETJQ-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CCC(C)(C)C)[C@H]1C	2006977653	DNUMAZDYTYYIEJ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](CC1CC(CC)C1)NCC	2007750118	SXAHFRQRMBZFDC-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H]1CCCC[C@@H]1CC	2007852646	GCWJECXBIDRYKL-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC1(C[C@H]2CCC(C)(C)CCC2=O)CCC1	2009403751	GHSYSQQFUOLZLG-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@@H]1CCC[C@H](NCCC)[C@H]1C	2009618176	ZSHSGLOSQKSSJI-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(O)([C@H]2CCC(C)(C)C2)C1	2009719613	LACVLRFZPCPPOJ-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(C1=CC[C@H](C(C)(C)C)CC1)C(C)C	2010739056	OYNQPUARSITPSS-XJKSGUPXSA-N	237.431	4.523	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC(C)(C)C1CCC1	2016145859	QUYPAZJJPPYYFQ-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C1(C(C)(C)C)CCC1	2017135662	YKLNEDHTEGVRAU-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC1(CC)CC(N)(CC2(C(C)C)CCC2)C1	2017144563	VNMVNQFKBJLPBR-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC[C@@H](O)C2)CC1	2017722869	AGASYOQVPWLTMW-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@H](N)CCC(C)(C)C)CC1	2017731638	UFZKVKDKLZKNFL-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@](N)(CC)CCC[C@@H]1CC1(C)C	2018136286	JMYTYBZKJGEEKY-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCC1(CC2(CN)CCCCCCC2)CC1	2018976113	RMAORJLCRQVJHP-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CCCC1(C[C@H](NC)C2CCCCCC2)CC1	2018991091	JDBBBXCYHWNSDQ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H](C)C1CCCCC1	2019412890	DEQHIYNAYJVKHA-LSDHHAIUSA-N	239.447	4.712	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1C[C@@H]1C1CCCCC1	2022413227	CKDLQSNGUNUBCJ-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H]1CC(C)(C)CC[C@@H]1NCC	2024126381	WSZZFRMAQBKAHQ-CJKAQPIMSA-N	237.431	4.537	0	10	BJAE	
CC1(CC(=O)CC(C2CC2)C2CC2)CCCCC1	2027276216	POTPDJAGMIBSAH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccccc1C1(C)CC1	2028554221	ICDIUTNAEVWYAX-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H](C(=O)c1ccc(C2(C)CC2)cc1)C(C)C	2028589650	BLGJNNOHYKTEHI-OAHLLOKOSA-N	244.378	4.603	0	10	BJAE	
CC[C@@H]1CC[C@](CNC)(CC2CCC=CCC2)C1	2028869904	LUVIOCODTIGDHC-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC2(C3CCCC3)CC2)C1	2029737997	LPLBXTZWUHTDSH-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)[C@@]23CCCC[C@@H]2CCC3)c1	2031850498	KDQHIVHGOPOIPG-NVXWUHKLSA-N	242.362	4.538	0	10	BJAE	
C[C@H](CC(=O)[C@]12CCCC[C@H]1CCC2)C1CCC1	2031856564	ZKXGLPFLGUBRNB-KMFMINBZSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(=O)C(C)(C)C2CCCC2)cc1F	2032294699	AVULIEBISBHCBW-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)C1CC2(CCC2)C1	2032340820	DQHDTHRCDQSVQQ-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCC(C)(C)C1)c1ccccc1	2033377465	AIESXXKBAHRMNZ-ZFWWWQNUSA-N	244.378	4.576	0	10	BJAE	
CCCN[C@H](CC)CCC(C)(C)c1ccccc1	2035346763	JZBXBKNNYKDJNT-MRXNPFEDSA-N	247.426	4.523	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)[C@@H]1CCCC1(C)C	2035593166	PJURDNDTIVMXDW-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NC[C@@]1(C2CCCC2)CC12CCCC2	2036096095	SRRJQRQFMROPHC-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
O=C(C1CCCCCC1)[C@H]1CCC2(CCCC2)C1	2037673537	XGWQDFNWNGPUAW-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1CC(C(=O)CC2CC3(CCC3)C2)C[C@H](C)C1	2037977614	YSDHOGGWGSDWLO-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
C=CC=CCCC[C@H](CC1CCCCC1)NCC	2038165306	LZFQZNPTBDUACW-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2CCC3(CC3)C2)CC1	2038581064	YJCUYZUPVAMZAR-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC[C@H]1CC12CCCCC2	2039056891	ANWPDNKXNDXNRZ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)NCC(=C[C@@H]1CC12CCCCC2)C(C)C	2039079808	VDMFLZOLRNIXJJ-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1CC12CCCCC2	2039081358	ITISMZOOPZPBGM-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1ccccc1C1CCC1	2040724459	VWKWVVFSSGNYDA-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2C=CCCC2)CC1	2041380889	WKBDNZIPCSVEAQ-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CCCCCc1ccc(NC(=N)C(C)(C)C)cc1	2042330783	LWEOXYGSIMWFNQ-UHFFFAOYSA-N	246.398	4.855	0	10	BJAE	
C[C@H]1CCCC[C@H]1CN[C@H](C)CC1=CCCCC1	2043187421	LMSYUVDOQZPWQX-UXLLHSPISA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@@H]1CCC12CCCCC2)C1CC(C)(C)C1	2043543031	HBRAUAIJBPRWPD-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CCC=CCCC1)C1CCCC1	2045308324	SZEWIVSQZMSVDB-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
CCN[C@@H]([C@@H]1CCCC(C)(C)C1)C1(C)CC=CC1	2045392210	SLGJEIWAKTYYKX-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@@H]1CC(C)=C[C@H](C)C1	2045763557	JPUIRBADNARROM-RRQGHBQHSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](c1ccccc1)C1(C(C)C)CCC1	2045817313	BJSOJQGLSNBEJL-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CC[C@H](N[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2048388880	XCQSMLUOQKAXGN-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
C[C@@](N)(C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2048445163	OARIKSMAESCTLM-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CNCC1(C[C@@H]2CCC3(CC3)C2)CCCCCC1	2049852079	BCQMAXGEXCKFBL-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC1C2CCCC1CCC2	2050041556	JROZZIGMKTZOMS-STXJZCLZSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCCC[C@@H]1C)c1ccco1	2050517363	ABZBLWWWMQHRET-SOUVJXGZSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H](C)c1ccccc1	2051405975	FPFLJLZQXGECIA-NVXWUHKLSA-N	245.410	4.515	0	10	BJAE	
O[C@@]1(C[C@H]2CCC=CCCC2)CCCCC12CC2	2053314990	JWECUGJCFXOPJW-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CNC[C@]1(CC2(C)CCCCC2)CCCC12CC2	2053357757	ITEALAALWXAOLR-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
O=C(CC1CCCCC1)[C@@H]1CCCCC12CCC2	2053358223	JXEGNAXNJSFHMI-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCCC[C@H]1CNC[C@]1(C)CC=CCC1	2053386816	QHLVQGMYHYHKJT-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H]1C[C@H](C[C@@H]2C=CCCCC2)C[C@@H](C)C1	2055016847	MXUOZYSGNSWGEJ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc([C@@H]2CC(=O)C[C@H](CC)C2)cc1	2055135330	APSBZEVQGGYYDO-CJNGLKHVSA-N	244.378	4.502	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1CCCC12CCCCC2	2055671178	FLYNHZSPHDNOMM-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
C[C@H](Nc1ccc(CF)cc1)[C@]12CCCC[C@H]1C2	2055672828	XQJNTRFVNDRJQS-DUVNUKRYSA-N	247.357	4.537	0	10	BJAE	
NC1(C=C2CCCCC2)CCC2(CCCC2)CC1	2056920970	WFBHCCBFNTZCNM-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
CC=CCCC[C@@]1(CNC2CC2)CCC[C@@H](C)C1	2059254498	ZVGVZPNENURPLC-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC[C@]12CCC[C@@H]1C2	2061625544	FCGQNMSHGZORFP-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1CCCCCC12CC2	2062015874	BSRKITKUJHLHJD-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063427455	NGVXCRCXPZHGOG-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](CC)c1occc1C	2063677879	MFGUTNOMWSOKTN-QLFBSQMISA-N	249.398	4.598	0	10	BJAE	
CC1(C)CC2(CC([C@H]3CCC(C)(C)C(=O)C3)C2)C1	2063818612	ULMXYZZCZQYWBN-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C23CCCC2CCC3)C1	2063822474	SIEAQWOSGKKHLX-BOLLXYOYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(OC)c(C)c1	2065990007	JLHMNGXUCMQXDZ-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
CC[C@@H](CCC(C)C)NCc1cccc(C)c1C	2066079025	QRNZZMVZMFGNIZ-KRWDZBQOSA-N	247.426	4.608	0	10	BJAE	
CC(C)C(C[C@H](C)C(=O)c1ccccc1)C(C)C	2068990688	HCHRKFJSHLXPMP-AWEZNQCLSA-N	246.394	4.824	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C[C@H]2CC23CCC3)C1	2069175497	BQHXLMKCZQTNSR-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1CCCCC12CC2	2070414093	QJGBHYCQLAYCTG-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC2CC2)(CC(C)=C(C)C)C1	2072407255	FUKNROAXRTUHIM-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](NC)c2ccco2)CC1	2072798780	MNMZIEZQWZVFOB-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(OC)c(C)c1	2073344604	CZBFKPJVYRBBBU-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CC(C)C1CCC(N)(C[C@]23CCCC[C@@H]2C3)CC1	2074026441	ULFYGLVGPLVKKD-JCCCHCCOSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCCC1=C1CCNC2(CCCCC2)C1	2074142717	VIAPYFXXYSSXDC-AWEZNQCLSA-N	247.426	4.579	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1	2074648706	LRDZWGGXKZSLIO-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@H]1CC12CCCC2	2074649976	ZDAYSKULCFONTG-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(CN(C)[C@H](C)CC(C)(C)C)c1	2074925843	SZBRTDCCMSZRHE-OAHLLOKOSA-N	247.426	4.560	0	10	BJAE	
CC[C@@H]1CCCCCN1[C@H]1CCC12CCCCC2	2075009887	CVLFCSPZLPELMG-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
CCCCN(Cc1ccc(C)cc1)C1CCCC1	2076585712	LOBILANEQDFODG-UHFFFAOYSA-N	245.410	4.540	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2077189449	IFXLWEJHLICEBS-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1C[C@@H]1C1CCC1	2079351197	XOSAGRNUOKBLSN-NVXFWENBSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@H]1C[C@@H]1C1CCCC1	2079484643	IKFASFOFECPPBV-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](N[C@H]1C[C@@H]1C1CCCCC1)C1CCCC1	2079530179	NMYCPBDFSLKMSN-IKGGRYGDSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@@H]1CCNc2ccccc21	2079664007	CNJWBUADTRKZGQ-KCQAQPDRSA-N	243.394	4.658	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1COc1cccc2ccccc12	2079816646	ZIGZXIQWKSYXQN-HOCLYGCPSA-N	240.346	4.511	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)C[C@H]1C[C@@H]1C1CCCCC1	2079843400	QYTWMDLYESIZBY-OFQRWUPVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(CN)CC23CCCC3)C1	2082986906	OJLOGWLBCDGWDZ-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)Cc1cccc(C)c1	2086045569	XWTNESYTWJXTJZ-YOEHRIQHSA-N	248.410	4.505	0	10	BJAE	
Cc1cc(NC2CCCCC2)c(F)cc1Cl	2210737192	NCGDEEYEQITCDJ-UHFFFAOYSA-N	241.737	4.532	0	10	BJAE	
Cc1ccn([C@@H]2CCC[C@@H](C(C)(C)C)C2)c1	2212101185	RPXVKVAQHDCIQS-ZIAGYGMSSA-N	219.372	4.574	0	10	BJAE	
CCC[C@@](C)(N)CCCCCCCC1CC1	2212451507	VMZCEPXKFLWJHH-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)CC1CCC1	2213573675	KJXBYBMKZLYVNV-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)CC1(C)CC1	2213576475	QCDZGUKJTBMNFX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@]1(O)CCC[C@@]1(C)CCCCCCC1CC1	2213576559	REROIHNEXFMZLN-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CCCC1(CC[C@@H](N)C2CCCCC2)CCC1	2214765764	OUOFZKVFXVZPQJ-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCCN(CC1(C)CC(C)(C)C1)[C@@H](C)CC	2215439502	HSWFSWLIBFQCMP-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](O)CCCC(C)(C)C)CC1	2215818270	QDBMOBXBACOQLN-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCc2cc(C)ccc2N1	2217469668	UKSUDJJPEZFJHF-SWLSCSKDSA-N	231.383	4.548	0	10	BJAE	
C[C@H]1CC[C@@H](N2CCCC23CCC(C)(C)CC3)C1	2218032469	HYFFGUKSHRBGKE-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC=Cc1ccccc1	2219079932	FJYKIZHYGQVSME-KRWDZBQOSA-N	243.394	4.554	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2220635992	GWYDJSVUXANZTF-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)[C@H]2CCCC23CCC3)C1	2221028812	UBUPJRGBRYPBSP-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)CC2(C)CC3(CCC3)C2)C1	2221036751	BRQPNHSPHQJKMA-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@H]1C)[C@@]1(C)CC=C(C)CC1	2221630129	GXHMIYDWYKLWBB-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
c1ccc(OC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1	2222917900	MMMDMEICVUNWIQ-BZUAXINKSA-N	244.378	4.672	0	10	BJAE	
N[C@H](CCC1CC1)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222980709	LRPSTJIBALYWNY-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C(CCCN[C@@]12CCCC[C@H]1C2)CCCC1CC1	2223153035	VXEYCQQKJBNOCU-DLBZAZTESA-N	249.442	4.659	0	10	BJAE	
CN[C@H](C)CCCC[C@H](C)CCCC(C)C	2244845453	PHWWAEUGZYIWEI-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
Cc1sc(C)c(CC=Cc2ccccc2)c1C	2248277418	GQYXZWLRMWEZEW-UHFFFAOYSA-N	242.387	4.929	0	10	BJAE	
CC[C@](O)(CCCCC[C@H]1C[C@@H]1C)CC1CC1	2248864548	CYONNVGIDLUOLP-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@H]1CC12CCCCC2	2250353674	XAPBOLQZEWGFDC-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H](CC)CCC)c1	2250354512	DNRYKTHNMTUILO-AWEZNQCLSA-N	232.367	4.648	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@H]1CC[C@H](C)CC1)NC	2250369152	FRNBGVXKDSDYET-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@H]1CCCCN1	2250468491	DRODNMPEEQJFJH-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1(CN)CC(C)C1	2250517999	QRKIGAFFJHDUHL-QQFBHYJXSA-N	239.447	4.604	0	10	BJAE	
CC(C)=C[C@@](C)(N)CC1CC(CC(C)(C)C)C1	2251504077	VPXQVVKECLOPTJ-ZBCRRDGASA-N	237.431	4.523	0	10	BJAE	
CC(C)CCN(C)[C@@H]1CC(C)(C)CCC1(C)C	2251706248	BVHMGXWTOWLMLP-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CC1CCC([C@H](N)C[C@H]2CCCCC23CC3)CC1	2253815458	LIPQNYVWOXBLLU-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(NCCCC[C@@H]2C[C@@H]2C)cc1	2254544382	PHUPENRPDRFJAZ-GOEBONIOSA-N	245.410	4.877	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CCC23CCC3)CCCCCC1	2254846744	OFESGTAEBBVUQY-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC2=CCCCC2)CC[C@@H]1C	2255136799	KJIDHKUBPCYKFP-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C[C@H](N)C[C@H]2CCCC23CC3)CC1	2255229681	RYXFOJWHSUGVFP-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(OCCCCC[C@@H]2C[C@@H]2C)c1	2257250021	WMPSDWOMHNOADN-JKSUJKDBSA-N	246.394	4.899	0	10	BJAE	
CC1(c2ccccc2NC2CCC=CCC2)CC1	2257922183	MBTYDEDVFPIUPM-UHFFFAOYSA-N	241.378	4.649	0	10	BJAE	
CCC1([C@H](N)CC2CC3(CC(C)C3)C2)CCCC1	2259540624	QONWOTBUTHTPJO-MYLOQMAZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2cccc(C3CCCC3)c2)C1	2260731175	VMAABZSODYENDY-CXAGYDPISA-N	243.394	4.945	0	10	BJAE	
CC(C)(C)CC1CC(C[C@]2(CN)CC=CCC2)C1	2261262633	BCPUDADRSFOPIR-DQPZFDDXSA-N	249.442	4.524	0	10	BJAE	
CC1CC(CCC(=O)[C@H]2CCC3(CCCC3)C2)C1	2261512839	RXUWPZZLRBBSPU-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@@]12CCCC[C@@H]1CC2	2298727505	YPELITOCVWECQN-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)[C@H](C)CC1CCC1	2298852807	SBKTVQRERCNSIM-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)(C1CCCC1)[C@@H](C)CC1CCC1	2298858045	LPWKSPSSFVHZNV-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@H]1CCCCCCC[C@H]1O	2300675376	DVOKDPBZJYFKBT-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CCC(CC)CC)[C@H]1C	2300687787	GMEHSLNFNGQCKD-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@H]1C[C@@H]1CC	2300898670	HBXGKMGTPXLMFI-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(=CC=C(CN)C(C)(C)C)CCCC(C)C	2300901128	GEOJXTLTSPAHQP-UHFFFAOYSA-N	237.431	4.690	0	10	BJAE	
CC=CC[C@H]1CCCCCCC[C@H]1NCCC	2300924430	SVHHJFDCNBVHQC-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2CCCCCC2)C1	2301240875	DODCVHIFCVRZTH-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)NCCC1CCCCCC1	2301714612	PLZFJEYXRLONOO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@@H](C)[C@@H](C)C(C)C	2301837985	CVFZMRNZKAWGHE-JYJNAYRXSA-N	241.463	4.721	0	10	BJAE	
Cc1cc(-c2ccc3c(c2)CC(C)(C)C3)cs1	2302249857	QVCBYQKTEGMZDD-UHFFFAOYSA-N	242.387	4.848	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CCC(C)(C)C1	2302881796	BZLUREDZTZHPGZ-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1=C(C)C[C@H](CCC[C@H](O)C(C)(C)C)CC1	2303594692	KQKGCJPQCGTPSG-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CCC(CC)(CC)NCC[C@@H]1CCC(C)(C)C1	2304361111	ODYXJTXVBSZVQL-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(N)(CC[C@@H]2CCC(C)(C)C2)CC1	2304407449	IARKMPYCFZZGMP-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312958388	QGFGDCQVRWVOHL-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC(CC1CC1)CC1CC1	2313584838	SIDXTFNIWYSLBI-NVXWUHKLSA-N	249.442	4.514	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C(CC1CC1)CC1CC1	2313608741	NWGLKPUXFLZRJO-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@@]12C=C[C@@H](CC1)C2	2316243607	QLKXUNVAJRQCEM-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@H](O)C(C)(C)c1ccccc1	2316247606	GOUMXBHILNOHMU-INIZCTEOSA-N	248.410	4.542	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C[C@H]1C[C@H]2CC[C@H]1C2	2316504632	XBGMFAUMLAHFQV-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](N)[C@H]1C[C@H]1C1CCCCCC1	2316508588	KWJHHAYUDWVBQB-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)[C@@H]1C=CCCC1	2316874996	URKZUBYEQWOTDZ-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCCC1(NC[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316997758	CGGVOJZLVFNZPK-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc([C@H](O)[C@H](C)[C@H](C)C(C)C)cc1	2317826654	GJSZGGFLKLFXKF-CKEIUWERSA-N	248.410	4.601	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CC(C)(C)[C@@H]1C	2318184388	GWPTUXGSNXIVLC-CJNGLKHVSA-N	245.410	4.965	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCCCC1=CCCCC1	2318528974	KWJURZHCPNWRFB-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](C)C1(CCCC2=CCCCC2)CC1	2318540838	ROFCCAZHXVYDLG-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
O=C(CCCC1=CCCCC1)C1CC(=C2CC2)C1	2318566611	ZGBJGYRCNAJGTB-UHFFFAOYSA-N	244.378	4.727	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C[C@@H]3CCCC[C@H]3C2=O)C1	2319141751	VADRXWBDMUBABG-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H](C)C1CC1	2320388915	VMGZYEARCJEJAM-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2CC3(CCC3)C2)CC1	2320414012	PWXMRGRHICHFLH-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H]2CC(=O)CC(C)(C)C2)CC1	2320420446	PROYZSVGOXVZGY-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CN[C@H](C[C@]1(C)C[C@@H]1C)c1cccc(C(C)C)c1	2320512499	AFKJZMPLEUFTNI-XKQJLSEDSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCC3(CCC3)C2)C1	2321648454	KEZWPMIQPPYYAA-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](Nc1cccc(C(C)C)c1F)C1CC1	2327808080	QPPJDWDHGQATAG-AWEZNQCLSA-N	249.373	4.940	0	10	BJAE	
CCCc1ccc([C@@H](N)C[C@H](CC)CCC)cc1	2328274656	RBOUAFSTYZSCNS-PBHICJAKSA-N	247.426	4.855	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccc2c(c1)CCC2	2328305750	BTNFAUPXXUPMAJ-CYBMUJFWSA-N	244.378	4.574	0	10	BJAE	
CC(C)=CCC[C@@H](C)c1cc(C)ccc1O	15150864	ZLXULPSGBWOBBE-CYBMUJFWSA-N	218.340	4.551	0	10	BJAE	biogenic
C[C@H](Nc1cccc(F)c1)c1ccc(Cl)cc1	19231926	LLJMMAVNEQRTDG-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CCCC1CCC(NC2CCC(C)CC2)CC1	22147756	TYPZSZYKZDJRMR-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(NCC[C@H](C)c2ccccc2)cc1	34540821	VDDSCZYYQQBBPD-HNNXBMFYSA-N	239.362	4.601	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)c1sccc1C	42729292	QDNLMFNWKNLDGR-QWHCGFSZSA-N	239.428	4.533	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)c2sccc2C)c1	70089749	LKONHLSHGTZJQJ-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
C1CCC(CCN[C@H]2CCC[C@H](C3CC3)C2)CC1	81635604	HFGBSYTYIPYZPM-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CSc1ccc(N[C@@H]2C[C@H](C)CC[C@@H]2C)cc1	85084090	SLLHRWKWPVXCMD-TYNCELHUSA-N	249.423	4.645	0	10	BJAE	
CCCc1ccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C)cc1	85086623	DGXWXNQUURMRTA-GRDNDAEWSA-N	245.410	4.876	0	10	BJAE	
CCCCCCC(C)(C)[C@H]1CC[C@H](C)C[C@@H]1O	85157529	HFTHQCIQBWJGFB-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCc2ccccc2)CC1	86922019	ZEECWETZYCYNCD-DOTOQJQBSA-N	245.410	4.525	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)C1CCC(CC)CC1	87937554	XUTJPFXPSYPULT-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCN[C@@H]1CCCC[C@H]1C(C)(C)C	103983665	ONHNKZMPCKMVTK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)c1ccc(C(C)C)cc1	109718236	DMJRNRMPRQMJJU-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
CCCNC/C(=C/C(C)(C)C)C1CCCCC1	125569638	TUUWIQMSMRSLOL-QINSGFPZSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@@H](NC)c1cc2cccc(C)c2o1	129167494	DDSWPRZSHHVMJB-CQSZACIVSA-N	245.366	4.582	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC(CC)CC)C1	129232871	UAHVHZDVWQSHRB-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCC[C@H](CC)CC1	129377180	FAISCQBXVHVXKN-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1C)[C@@H](C)C(C)C	163459495	CXFWJWHLXHGDMN-YOEHRIQHSA-N	247.426	4.636	0	10	BJAE	
CC(C)CCN(CCC(C)C)[C@@H](C)CC(C)C	165219530	KZRHWSYHVZMGJM-INIZCTEOSA-N	241.463	4.815	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@@H]1CCCC(C)C	165490005	HQVZVTSZQNKWSE-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)[C@H](O)c1ccc(C(C)(C)C)s1	165597665	YNPVXNWVJUCDNC-MFKMUULPSA-N	240.412	4.515	0	10	BJAE	
CCCc1ccc([C@H](C[C@H](C)CC)NCC)cc1	167268912	ANSFULQYTUZUBO-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C1CCCC1	169130059	OYSDELNKJJSTTE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H]1CC[C@@H](CC)C1	227467174	VTBMPARGXOUYPW-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC(=O)c1ccc(C)c(Cl)c1	229449009	CKDNGOMBSUKODP-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
Cc1ccc(-c2cccc(C3CCC3)c2)c(N)c1	229615192	PLEPBRPVAWSFAH-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCC[C@H](CC)Nc1cc(Cl)ccc1C	233348202	QIIQNSBXTSIDPU-LBPRGKRZSA-N	225.763	4.639	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](CC)CC[C@H]1CNCC	250840818	XRKAMSZYXWYODN-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H](C)NC(C(C)C)C(C)C	304527184	LHCDQZSJQPMFMW-CQSZACIVSA-N	227.436	4.616	0	10	BJAE	
CC(C)C(Nc1ccc(F)cc1Cl)C(C)C	304615424	XFZNCNBRLNCTOC-UHFFFAOYSA-N	243.753	4.572	0	10	BJAE	
CCc1ccc2scc(Cl)c2c1SC	307382643	CEUVTUMQEBIWSQ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Fc1csc2ccc(Cl)c(C(F)F)c12	307555434	IIAIWOFUDZBRRK-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)[C@H](CC)CC(C)C	308095824	MCRJWEMZAZETOA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@H](CC2CCCCC2)NC)CCC1	310161196	RFRQCJCULIAIHX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(N[C@@H](CCC(C)C)C2CC2)cc1F	310636775	ARCZITKGLAWINK-INIZCTEOSA-N	249.373	4.761	0	10	BJAE	
Cc1cccc([C@@H](N)CC2CCC(C)(C)CC2)c1	310764568	NJGUKQITSAPKND-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
Cc1ccc2ccn(C[C@@H]3CCC[C@@H](C)C3)c2c1	310819553	BJYPLTNSVQUNMW-UKRRQHHQSA-N	241.378	4.776	0	10	BJAE	
Cc1cccc(C)c1OCC1CCC(C)(C)CC1	310976909	JBWQKZVLADPHQK-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
O=C(CCC1CCCC1)c1ccsc1Cl	312559161	AORRZXWDZWHWLJ-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC(C)(C)C)CC=CCC1	317118025	GYJMNQZIYMXKBO-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@]1(CNC(C)C)CC[C@H](CC)C1	317839298	FNLWGCMSFPQOAF-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCc1nc2ccccc2n1[C@@H](C)[C@H](C)CC	319541544	CHGHRXXMHMVDKQ-OLZOCXBDSA-N	244.382	4.596	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCCC(C)(C)C)CC1	328349657	PECJBYFXWWLSLP-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
CCc1ccccc1[C@H](O)C[C@@H](C)CC(C)(C)C	381276438	SZSSMYXEDUTTCH-CZUORRHYSA-N	248.410	4.745	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1CC2CCC1CC2	381703886	PGILTOTUDWESSJ-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
Cc1cscc1N[C@H]1C[C@@H](C)c2ccccc21	387365522	VNULDYYOWORMHC-YGRLFVJLSA-N	243.375	4.717	0	10	BJAE	
CC[C@H](N[C@@H](C)c1ccccc1C)C1CCCC1	387596544	UWSWCKQPTYLIHY-YOEHRIQHSA-N	245.410	4.614	0	10	BJAE	
CC(C)CC(C)(C)CN[C@@H]1C=CCCCCC1	391135945	FWOVNQKQLRJJOC-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCCC23CCC3)c1	394746327	QMUJZJCWHOYDSU-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@@H]2CCCC23CCC3)C1	394853270	GVJDILDDMRMFSE-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](O)C(CC)(CC)CC)CC1	395119823	JORZKWUNPZPLNK-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CSc1csc2c(F)cc(C(F)F)cc12	396234005	FJYVCEFBAUDDPD-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1csc2c(C(F)F)ccc(F)c12	396252473	RUABRCQJQQGWIJ-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1cc(F)cc2c(C(F)(F)F)csc12	396305641	WTMGCANIXIZMAA-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CSc1c(C(F)F)cc(C)c2sccc12	396400044	CFZPVAJUALIYLQ-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CSc1cc(C(F)F)c2ccsc2c1C	396409126	QKAJNIOHTLRVIQ-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
c1cc2c(cc1NCCC1CCCC1)CCCC2	404730677	ZIQVAYRZCUPWKK-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
Cc1cc(N[C@H](C)CC2CCCCC2)ccc1F	689719453	PNRMIFZKTWMOQF-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H](C1CCC1)C1CC1	689779994	WSEOIMGSZAYLTE-SUMWQHHRSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CCC(N)(CCC2CCC2)CC1	690556290	VVTVSIYAAUEAQV-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H](C)CNCCCC1CCCCC1	694059133	HRINUVDGZVFXFW-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)CCN[C@@H]1CC[C@H](C)c2ccccc21	696173845	IZJWMPRXUHBEQN-GRDNDAEWSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@H]1CCCC2(CC2)C1	696573767	PNZGNHOUKURPQD-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC1(N)CCCCCCC1	696784588	YMIFYTYTWVDBJF-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
Cc1ccc(NC2C(C)(C)CCC2(C)C)cc1C	699615521	BOSJKEVEROFHSC-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
CC(C)CC1(NCC2(C)CCCCCC2)CC1	701441967	FCSJMUIVNVCCJN-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)[C@H]2CCCC23CC3)CC1	706287807	XPNXMRXJTUZTGN-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@@H](C)C(C)(C)C)CC1	710752202	SCPIQLGSPRFLCX-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
C/C(=C/CCNCC(C)C)C[C@H](C)C(C)(C)C	711179879	AHFZNUSPCUYIAE-MZLJFPOFSA-N	239.447	4.641	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@H]2CCCC[C@H]21	712359748	ILJKRAIJHBARLM-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC[C@@H]1C[C@@H]1C1CC1	714770805	LRYJHKABJUIFHD-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCCC(C)(F)F)CC1	718643120	GOJXTMOMJRLYBX-JSGCOSHPSA-N	248.357	4.533	0	10	BJAE	
CC(C)=C(C)CCc1c(Cl)ccc(F)c1F	718645014	JGAIJFSPVYWISH-UHFFFAOYSA-N	244.712	4.907	0	10	BJAE	
CC[C@H](CC1CCCCC1)Nc1ccsc1	720990415	RVHYTAPCSLOKLK-CYBMUJFWSA-N	237.412	4.909	0	10	BJAE	
CC1(C)CC(C[C@H](O)CC2CCCCCC2)C1	723578001	BTGCVNGYKOHTNG-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
c1cc(CSCCC2CCCCCC2)ccn1	1307404929	PJWFFOYRZHDCCM-UHFFFAOYSA-N	249.423	4.675	0	10	BJAE	
C=C/C=C\CCN1CCC[C@H]1CC1CCCCC1	1459400996	SQOLUEJDVIVCAQ-LIMHQNJXSA-N	247.426	4.554	0	10	BJAE	
c1ccc(-c2ccc(SCC3CC3)cc2)cc1	1652609542	HMEIYGXLSZVXTG-UHFFFAOYSA-N	240.371	4.856	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCCC[C@@H]1CC	1900840460	NESCCZYODYLEQK-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CCC(C)C	1900840688	PVPICDDQWLLEDK-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](CC)COc1cc(F)cc(Cl)c1	1905306880	XEZKOKKTWOPHSH-JTQLQIEISA-N	244.737	4.684	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](NCC=CC2CC2)CC1	1911809704	UOLYVJNSZIKYMM-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCC[C@@H]1[C@H](C)C[C@H](C)C[C@H]1O	1916002499	UARYDCSWTIESRS-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc([C@@](C)(O)C[C@@H](C)C(C)(C)C)c(C)c1	1919933032	DCYNKDJTZWISTM-PBHICJAKSA-N	248.410	4.583	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1CC[C@H](C)[C@@H](C)C1	1920182693	MEDIRDZRTNNKCT-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@](C)(N)C1CCC(CC)CC1	1920183429	UPAOWOQFZVMVNI-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC(C)(C)C(C)C	1920192248	YSISVZFNTJXNIQ-DZGCQCFKSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@](C)(N)c1ccc(C(C)C)cc1	1920458597	APQQFEUWHQQCJX-VBQJREDUSA-N	247.426	4.666	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1CC(CC)C1	1921261668	LOKMFIFSMBWGAA-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCNC[C@@](C)(CC(CC)CC)C1CCCC1	1924118005	DOAHDDUGKXPABG-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C=C1[C@H](CN)CCC12CCC2)CC	1924999136	YXKOANBCCJXUFY-CABCVRRESA-N	249.442	4.668	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cc(C)ccc1Cl	1925509988	JLAHGVGHRHSWGH-QWRGUYRKSA-N	238.758	4.513	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@H]1C=CCCCC1)NCC	1925905089	ZMPFCXNXPOSIAB-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
Cc1cnc2c(Cl)c(Cl)ccc2c1Cl	1933847781	WIRMJEFTTJXUJQ-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CC(C)NC[C@@H](CC1(C)CCCCC1)C(C)C	1940408752	VBUSLBFDPTUYPI-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCNCCC=C(C)CC1(C)CCCCC1	1940410964	VSPDDQWEEAUUPZ-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC[C@@](O)(CCCCCC1CC1)C1CCCC1	1941572671	DDWNAKMHSNMGHQ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)CCCCCC1CC1	1941595914	KHUSUFGNSRWMCZ-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)CC1CCC=CCC1	1941794493	ZIJKHPXENROZOH-HIFRSBDPSA-N	237.431	4.523	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@@H](C)CCC(C)C)CC1	1942663067	RUYIZWQURRWBIR-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C=C1CCNC[C@H]1CCC)CC	1944853174	ORMAGNWXRVLWRK-GDBMZVCRSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](c1cccc2sccc12)C(C)C	1945970015	KBNVZLUFLGMCKN-HNNXBMFYSA-N	247.407	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CC[C@H]2CC[C@H]1C2	1947119021	WEQOQFHBOWCESE-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@H]1N[C@H](C)C1CCCCC1	1947462427	NLYVALPRSDTHPM-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
FC(F)(F)c1ccc(C[C@@H]2C=CCCC2)cc1	1947562189	NZFDPSJVDIXCGT-LLVKDONJSA-N	240.268	4.604	0	10	BJAE	
CCc1cccc(N[C@@H](C)[C@@H](C)CC(C)C)c1	1948324334	YLKUYISYVNJWTM-KBPBESRZSA-N	233.399	4.732	0	10	BJAE	
CCCC[C@H](CC1CC2(CCC2)C1)NCCC	1948433160	PCKNTTNFODOPAK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CC1(C)CCCCC1	1949071499	KNIHFTWOSDJPKF-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CCCCCC1CC1	1949079704	VHIQRXYMJJCYPQ-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)[C@@H](O)C1)CC(C)(C)C	1949677575	JAEMCRIGJBYHFC-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCCC[C@@H]1CC1(C)C)C(C)C	1949826948	XVHNLCQUKAPRFC-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
FC(F)c1csc(C[C@@H]2C=CCCC2)c1	1958962047	XJJCEQQLKSSXKV-SECBINFHSA-N	228.307	4.585	0	10	BJAE	
Cc1ccc(NC2C[C@@H]3CCCC[C@H]3C2)c(F)c1	1968326177	DCWADUFQASNQOF-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCCC2(CCC2)C1	1968648469	OFLJJVKCEKWZCH-ZDUSSCGKSA-N	247.357	4.659	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CC[C@H]2CCC[C@H]2C1	1970664647	LASRDKPMVPYBQG-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](C)NCC(C)(C)CCC	1976008650	PCFHOJSKPPEBDI-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCN[C@H](CCCC=C(C)C)c1cccs1	1980688151	UMCFQPACRDZJFS-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
CCCCCC[C@H]1CCC(C)(C)CCC1=O	1984462091	KGSIKRKGBPLOEU-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC=CCCCCC[C@@H](NCCC)C(C)C	1984633494	XJEKVASAMKPBEL-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CC1(CC)CCC1	1988433597	URAXCPFRHOSHMZ-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCC(=O)CCC[C@H]1CC[C@H](CC)CC1	1989839441	QDMRMWPXSROXCH-HDJSIYSDSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)C1(C)CCC1	1990097403	GRWRVRUEFFTDOX-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C1CC(C)(C)C1	1995213923	HXMZQOQPTBUTAR-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](CC[C@H](C)CCCC)NC	1995259421	MXGGVRPTNBPQOJ-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)CN1CC[C@H](C)C[C@@H](C)C1	1995764375	PCOIQESDNYMQMG-XHSDSOJGSA-N	239.447	4.571	0	10	BJAE	
C[C@@H](N[C@@H]1CCC(C)(C)C1)C1(C)CCCCC1	1995983520	PCIQWXVYOGPBPT-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1CC[C@H](C)C1)NC	1996248040	PTVSOOWPIBUJEP-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@H]1CC[C@H](C)C1	1996250464	PJIPKSMAAUTINS-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CCC(C)C)C[C@H]1CCC=CCCC1	1999991935	SICJSAAZINAEFV-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(O)CC2CCCC2)C1	2000037165	FZOUGSNOGSMULW-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2000051494	OKAQWWZJZHBWRU-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C1(C(C)C)CCC1	2000391287	VUOYSSKMFNQSAB-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CN)CCCCCC1CC1	2000483437	MNZAGJBKPMIXRO-MRXNPFEDSA-N	239.447	4.892	0	10	BJAE	
CCCC1CCC([C@H](C)C(=O)CC(C)C)CC1	2002925756	UEKRLDDFSPAYGG-NFOMZHRRSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H]2CCCCCCC[C@@H]2O)C1	2003116848	LNOHTTCNXIGFKE-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NCC)C1(C2CCC2)CC1	2004529227	HCORCQUWKQYDGR-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H](O)[C@@H](CC2CCCCC2)CC1	2009408591	VFVZWZGEHHJYLX-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@@](C)(CCC)CNCC(C)C	2009619753	OFAVSNWJPXBWIP-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CC=CCCC[C@H](N)[C@@]1(C)CC[C@H](C)C1(C)C	2009626268	FCCKWNPTMOBTMI-OFQRWUPVSA-N	237.431	4.523	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](CCC)CC[C@@H]1NC	2009627131	HPQSOZGBDCGOTL-CLTGJZPWSA-N	237.431	4.537	0	10	BJAE	
CCCC1CC(N[C@H](C)C2CCCCCC2)C1	2009718259	VQMDLWRQQOHBAU-VQCLRJIVSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CC=C([C@H](O)C(CC)(CC)CC)CC1	2010711595	BVKQWZPWHPVLFP-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
CCCC(O)(CCC)CC1C[C@H]2CCC[C@@H]2C1	2011982987	NLGCWYLUZQMYKM-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1C[C@H](C(CC)CC)CC(C)(C)C1	2012040842	FQSLEPVKNUUODD-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C)c1cscc1C1=CCCCCC1	2013605817	XBXFGTQKOUDNKB-LBPRGKRZSA-N	249.423	4.766	0	10	BJAE	
CC(C)CC[C@](C)(N)CCC(C(C)C)C(C)C	2015360181	HGNXLHBLQWIAHI-INIZCTEOSA-N	241.463	4.848	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@H](C)C(C)C	2015397716	JQDVHCGFRIHESD-DZKIICNBSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H]1CC12CCC2)C(C)(C)C	2015515172	FBCLWDWMMMUGJG-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCCC(=O)C(C)(C)CC(F)F	2016021403	VBIABBXAPDPAGW-UHFFFAOYSA-N	248.357	4.843	0	10	BJAE	
CCCC[C@H](CCC1(C(C)C)CCC1)NCC	2017145737	LQUKCJDTQYFGBO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C1(C[C@@H](N)C[C@H](C)C(C)(C)C)CCC1	2017148377	NMXPUJSDXKVJTP-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@H](C)C1CCCCC1	2017476352	WVTSVUXNTCITJF-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)[C@@]1(N)CCCC2(CCCCC2)C1	2017477805	LJTNOYXFGVLGBJ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC[C@@]2(C)O)CC1	2017711803	IBQFEMKBKRPAFC-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(C)CCCCCN2)CC1	2017728885	QCJWUYVYHNDZKD-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C(F)(F)CC)CC1	2017777695	KEFSKAATTVPLJW-HAQNSBGRSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)c1csc2ccccc12	2017809583	ZZJXZFRQLLLKQS-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CCCCC[C@H](CC)NCCC[C@@H]1CC1(C)C	2018131747	PSMIYVFDNFWENE-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C1CCC(C)CC1	2019309134	JLRVUQIARHWNLR-HWOWSKLDSA-N	239.447	4.712	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CCC1=CCCCC1	2019783234	YNNGIILJNOXKJS-HZPDHXFCSA-N	236.399	4.598	0	10	BJAE	
CSc1ccc(NC[C@@H]2C[C@@H]2C(C)(C)C)cc1	2022477470	LGBHAAMRMMISHH-FZMZJTMJSA-N	249.423	4.503	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H](C)C1CCCCC1	2022552839	AVDBTTFQFDPGMY-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(C[C@H]2CC(C)(C)CC2=O)CC1	2023636733	QCUTVWRTFRKPFG-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CCC[C@@H]1C[C@@H](C)CCC	2024001972	WEGDOGJWKMOIHG-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCCNc1cccc(C2CC2)c1	2027832315	KXQDVUMOSZKSMG-HNNXBMFYSA-N	243.394	4.802	0	10	BJAE	
CCCc1ccccc1[C@H](NC)[C@H](C)[C@H](C)CC	2027903370	LLUSGLTYSNGCTN-CKEIUWERSA-N	247.426	4.582	0	10	BJAE	
CCCc1ccccc1[C@H](NC)[C@@H](C)[C@H](C)CC	2027903373	LLUSGLTYSNGCTN-JKIFEVAISA-N	247.426	4.582	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@@H](C)CCC(C)C)cc1C	2029836784	LXFHDTYYVHXEPD-YVEFUNNKSA-N	248.410	4.718	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccc(C2(C)CC2)cc1	2032242003	BXMJFIZPGRRLJV-XJKSGUPXSA-N	243.394	4.729	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCC1)CC(C)(C)C1CC1	2035589423	GZQZCGQMAICZHV-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1CCCCC1)[C@H]1CCC2(CCCC2)C1	2037588511	DKACGQNXVTXKAM-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]([C@]2(CNC(C)(C)C)C=CCC2)C1	2037694733	OKSQAYVEAJRNIZ-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@]2(CNC(C)(C)C)C=CCC2)C1	2040182306	PDSBIUFSHGFPKN-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@]2(N)CCCC3(CCCCC3)C2)CCC1	2040765087	LXCJJDTVHHWPEZ-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCNC[C@@]1(CCCCCC2CC2)CC=CCC1	2042091373	KWYVCFCAOYKPSZ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H](C)C1CC(C)(C)C1	2043547418	PUVKVEXOHFBQOG-ZIAGYGMSSA-N	249.442	4.680	0	10	BJAE	
CC(C)CCCC(=O)c1ccc(C2CCC2)cc1	2045564561	GFTQERWOMFXOBO-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@H]1C(C)=CCC[C@@H]1C	2045811205	UUNHLFONDORRLA-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C[C@@H]1CC12CCCCC2	2047006504	BKIIZWJKVYNTED-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CC23CCCCC3)cc1	2047051506	FVKQSGTXXLDOJP-OAHLLOKOSA-N	242.362	4.538	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2[C@H]3CCCCC[C@H]23)CC1	2048390292	YNIVXSFJTRGKTD-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048468569	IOAJQLROJVHXMY-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CC2CCC=CCC2)C1	2049532812	MVLCRGWRHRLTMT-OIISXLGYSA-N	249.442	4.667	0	10	BJAE	
C=CC=CCC[C@@H](CC1(C)CCCC1)NCCC	2049804919	RXKJOVKEYGDXAW-INIZCTEOSA-N	249.442	4.847	0	10	BJAE	
C[C@H](C[C@H]1CCCC2(CC2)C1)c1ccc(N)cc1	2049860762	TUPRCXZZUUVKAB-ZIAGYGMSSA-N	243.394	4.733	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCC1)C1(C)CCCCCCC1	2052501159	SCPBFEAQRXUHLW-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@@H]1CCCCC12CC2	2053430856	MFQYBXPNEYFHDZ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@H]2CCC=CCCC2)C1	2054979090	AWNIYADJDWJMAG-IXDOHACOSA-N	247.426	4.587	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@@H](CCC2=CCCCC2)C1	2055018048	PTGISHLWZKHPSU-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@@H]2CC3CCC2CC3)C1	2055123693	LHRPYALXXNVVGW-LWQJKRBBSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC(=O)C1(C)CCC2(CC2)CC1)C1CCC1	2056537596	XVKPVRUBEFHCAG-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC1([C@@H](N)C2CCCCCC2)CCC2(CC2)CC1	2056557564	VTIABLQYBIDAGO-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H]1CCC[C@@H](C)C1	2056875119	CWPKLJLNZJKECH-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCO[C@@H]1C[C@H](CC2CC(=C3CCC3)C2)C1(C)C	2061728537	LJDGQOFTRPNMGU-JKSUJKDBSA-N	248.410	4.718	0	10	BJAE	
CN[C@@H](CC1CC(=C2CCC2)C1)[C@H](C)C(C)(C)C	2061737780	VDGGAHXKFWIWDU-LRDDRELGSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCCC23CC3)cc1F	2062020363	ZMOJMMYDELYYTJ-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
N[C@]1(CCCCCC2CC2)CCCCCC12CC2	2062021480	VOGKWZZMXFGWSZ-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC1(C)C[C@H](N)C[C@H]([C@@H]2CCC3(CCCC3)C2)C1	2063637398	DQLKVNGDYRZUGX-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)CC12CCC(CC1)C2	2065327380	LICRDOZUKDXIAI-BDVYOWHSSA-N	249.442	4.502	0	10	BJAE	
CCCc1ccc([C@@](O)(CC)CCC(C)C)cc1	2066000850	UBIUEWVSMYHMRW-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1CCC1(C)C	2068238590	GFSSOSXVQVDNDV-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)[C@]12CCCC[C@@H]1C2	2070394325	CYBQAAUFXYCVAR-YLFCFFPRSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H](C)C2CC=CC2)CC1	2070814633	NMPYIBNOCVQAMD-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@]23CCC[C@H]2C3)CCCC1	2070861225	JMRCNHXPMALBBQ-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CNCC2(C)CC=CC2)CC1	2072682276	SPBGUURGKLFYIR-WKILWMFISA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC[C@H](CNC2(C3CC3)CCCCC2)CC1	2072805102	ZIAFUMIFLZWGDK-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CC(=O)c2cc(C)oc2C)CC1	2072882559	YECIJYMVJKCKQR-UHFFFAOYSA-N	248.366	4.686	0	10	BJAE	
CC1(C)CC[C@@](C)(NCC23CCC(CC2)CC3)C1	2073068448	RXYWJLZPNOJKKZ-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CNCC1(C[C@]23CCCC[C@@H]2C3)CCCCCC1	2074034787	SSNWHCZKONWXBV-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@@]23CCCC[C@@H]2C3)C1	2074094893	OMRZEGPZYOHBAI-GMUWMPNVSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCC23CCCCC3)CC1	2074624814	VIZKLWGQCMQIHI-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
C1CCC(CCN2CCC[C@@H]3CCCC[C@H]32)CC1	2074889719	UKIPJAZJYFEWRU-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
C[C@@H](C1CCCC1)N(C)[C@@H]1CCC12CCCCC2	2075008462	KMRRWKPLMUXSQM-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
c1ccc(C2CC2)c(NCC23CCC(CC2)C3)c1	2077263651	AMGVCVSKOWEPRV-UHFFFAOYSA-N	241.378	4.556	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1Nc1ccccc1C1CC1	2077264741	ZEMXRLWRINPQLD-HOCLYGCPSA-N	243.394	4.801	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)[C@@H]1C[C@H]1C1CCCCC1	2079492849	TWBHOVMHKXYLAI-VNQPRFMTSA-N	246.394	4.518	0	10	BJAE	
CCCC1(CN[C@H]2C[C@H]2C2CCCCCC2)CC1	2079526379	FFTKVQKRZPYUNS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@@H]2C2CCCC2)CCCCC1	2079841538	JLFCKSNNDRWUMW-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C=C1CCC1)[C@]1(C)CC[C@@H](C)C1(C)C	2080245796	YSGCVQKXJWUHCO-UNEWFSDZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@](CC=C2CCC2)(CNC(C)C)C1	2081677454	MEKUTNZTDZIQNG-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)[C@@H]2CCC3(CC3)C2)C1	2082975797	LTAAKIWBJIUTBE-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)C23CCC(CC2)C3)C1	2082980212	TUAYGMASDYGSPA-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](N)CCC1CC2(C1)CC1(CCC1)C2	2083613596	OHTAPQXTOCZGSK-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H]2CC3CCC2CC3)C1	2084988764	LDBQNGKVQNNSNJ-AXJCJWBSSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)c1ccc(C)cc1	2086049597	FOGACNJQVCIKLG-YOEHRIQHSA-N	247.426	4.862	0	10	BJAE	
Cc1csc(C(=O)C(C)(C)C(C)(C)C)c1C	2210557742	AZWRPYDGBWDKOC-UHFFFAOYSA-N	238.396	4.620	0	10	BJAE	
CC(C)CC[C@](C)(N)CCCCCCC1CC1	2213571202	FSXVVCDMPNDJTO-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)C1CCCC1	2213573684	KQEQAIFBNDHRGE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC1(CC)CCC(N)(CC[C@H]2C[C@@H]2C)CC1	2215246426	FXPZDSBAUWMTAD-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCC[C@H]2C[C@H]2C)CC1	2215820056	AJWOATZWBSJTRU-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@](C)(CN[C@@H](C)CC)C1CCCCC1	2217136475	IROFCJCCUXXMLA-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CCC(C)(C)C)CC(C)C	2217152319	CWQFSFDLIKHDPO-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
Cc1cc(O)cc(-c2ccc(CC(C)C)cc2)c1	2218639069	GUKXNTDGEDQQSG-UHFFFAOYSA-N	240.346	4.566	0	10	BJAE	
O[C@H](CCCCC1CC1)c1cccc(C2CC2)c1	2220026815	CABUCWZOCRHHMA-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
NC1(CCCCC2CC2)CC(C2CCCCC2)C1	2220041440	PZGIEBQRBONVLL-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@H]1CC(N)(C1CCCC1)C1CCCC1	2220677759	XPBBXRBDYWBUMI-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(CC2(CNC3CC3)CCCC2)C1	2221024266	ZSFVOPMMCWPJTB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)CC2CCCCC2)CC1	2221607979	UWCRJNSZGMFRRC-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@]1(C)CC=C(C)CC1	2221618666	KAEZBDYCAAYBHB-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)NC[C@]1(CCC2CCCC2)C=CCC1	2223544898	FHHCAVCPDPQNRA-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C[C@H](N)[C@H](C)c1ccccc1)CC(C)(C)C	2224166125	QKDNKVHJURJRRN-LZWOXQAQSA-N	247.426	4.580	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1cc2ccccc2s1	2246859730	YFATXNHRFSDYLY-WFASDCNBSA-N	248.391	4.617	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CCCC12CC2)NC	2247604491	BRSSHUBOSHCADY-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@]1(C)C=CCC1	2248856015	UUZKGKFIKISVIO-IJEWVQPXSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](Nc1cccc(C(C)(C)C)c1)C1(C)CC1	2249257199	DEFXVJREKFXZDS-GFCCVEGCSA-N	231.383	4.585	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1CCC2(CC1)CC2	2250352186	JXDMITYJYYFOFB-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCC(N)(CCC)CC1CC2(CC(C)C2)C1	2250449955	SDYKAKBIXPTCJX-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CC[C@@H](CN)C1	2250469789	SPGYTXNROVFKDZ-HRCADAONSA-N	239.447	4.604	0	10	BJAE	
CC(C)CCC[C@H](C)CCNc1ccccc1	2250489129	VOKXUKAHTWCZLU-HNNXBMFYSA-N	233.399	4.951	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccc2ccsc2c1	2253056270	GUFNRWRATMJGLF-ZDUSSCGKSA-N	248.391	4.761	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc2ccsc2c1	2253088096	CJNJGJUMLVCUGE-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
CCC1(NCC[C@H]2CCCCC23CC3)CCCC1	2253887721	YYQHOVTZRPCSPY-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCCCCN1CC1CC2(CCCC2)C1	2254106867	SOFFGAPNEOGLTM-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C1C[C@H]2CC[C@H](C1)C2	2254582089	QZARHCCPJDPCPT-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@@H](C[C@@H]2CCC23CCC3)NC)CCC1	2254836607	XHBZMYJHQQPOHL-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(CN(C)CC2=CCCCC2)CC1	2255144190	RKGQRPIAIVIARM-KRWDZBQOSA-N	247.426	4.555	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCCC12CC2)C1(CC)CC1	2255278526	OKWBMEKMCJJBRY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NCC[C@@H]2CCCC23CC3)c1C	2255288250	PAMNMUYREIDWCG-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC[C@@H]1CCCC12CC2	2255326200	ASYSLTBQAJNIFY-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)CC[C@H]1CCCC12CC2	2255333650	XATXFIBDXAWQJS-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CC1)[C@H]1CC12CCC2	2256443421	OFRJMWIOQQIVOM-IUODEOHRSA-N	241.378	4.555	0	10	BJAE	
C[C@H](N[C@H](C)CC1CCCCC1)[C@@H]1CC12CCC2	2256449952	YIVMHZNWUNZMLE-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(CN)CCCC12CC2	2257280506	GEXUJJPUMFGTKO-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@H]2CCCCC23CC3)N[C@@H]1C	2259278560	CBLOHNJAQJBAKN-KLHDSHLOSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(C)c(OCC)c1	2259463383	MMQWLIODLMHWIY-CQSZACIVSA-N	249.398	4.632	0	10	BJAE	
C1CCCC(CNC[C@@]23CCCC[C@@H]2CC3)CC1	2260546874	QCTHXXUWDCIJMM-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)C1(NC[C@@]23CCCC[C@H]2CC3)CCC1	2260583140	NDISMMYJITWUQE-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@]12CCCC[C@H]1CC2	2260656193	FOPFODZVSLUXSG-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC(C(C)C)C(C)C	2300499771	AZVGFRQRADCKCT-INIZCTEOSA-N	241.463	4.848	0	10	BJAE	
CCC(CC)CC[C@@H]1CC[C@@H](C)CC[C@H]1NC	2300686168	NJHOKCAXWUOFOL-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H]1CCC[C@H](CC)C1	2300879267	FPORAIQIRFQGJP-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CC[C@H](N)c1cc(C2CC2)ccc1Cl	2301333470	NRMQBNVQGJPLBI-HNNXBMFYSA-N	249.785	4.574	0	10	BJAE	
CCCC[C@@H](CC)NCCCC1=CCCCC1	2302316113	ROENWBRYCZADJX-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2CCCC2(C)C)C1	2302876463	UHPHHAHHSVUUOG-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1NCc1ccc(C)c(C)c1	2302882522	KKSKDMQSPNPXLH-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CCC(C)=C(C)C1	2303469087	DVGUKMNITOXLSV-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1CC[C@H]1C(C)(C)C	2303489107	DGFQEMDDVRAFOY-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CC(C)Sc1cccc(C(=O)C2(C)CCC2)c1	2307552771	YDYZNCQONUROEC-UHFFFAOYSA-N	248.391	4.560	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CCC(CC)CC1	2307749832	ODEVKTQXKAWQBH-SLTAFYQDSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)CC1(CN)CCCCCCC1	2307821136	FMIDYVDSVLMSJA-HNNXBMFYSA-N	239.447	4.892	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2307907208	KJTPXWHCZLCOHA-TTZDDIAXSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCC[C@@H]3CC[C@@H]32)CC1	2309518707	ZISXBENZDDMZSJ-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCCC1([C@@H](C[C@@]23CCCC[C@@H]2C3)NC)CCC1	2311147068	AYLJDKZHYJIIGX-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2	2313179685	PQSZXNUTYXEFJT-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)N1CCCC[C@@H]1C1CCCC1	2313599420	KPEOXXFDCKSDDO-WMLDXEAASA-N	249.442	4.610	0	10	BJAE	
CC(=CCN[C@H]1C[C@@H]2CC[C@@H]2C1)CCCC(C)C	2316493834	XVTNDIKDIQCACV-BJWYYQGGSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@H](NCCC)[C@]12CCCC[C@@H]1CCC2	2316542107	MVLSNXXWRCZABH-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CC[C@H]2C(C)(C)C)oc1C	2320309287	DDGLAFMAFRNMKZ-CHWSQXEVSA-N	248.366	4.542	0	10	BJAE	
CC1=C(C)C[C@H](CC2=C[C@@H](O)CC(C)(C)C2)CC1	2320409749	XTAKXKUXDAZIQN-GDBMZVCRSA-N	248.410	4.620	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@]23CCCC[C@@H]2CC3)C1	2321630946	LKKWFKAJJXMZDA-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@H](C)C2CCC2)c1	2327704244	SEHWOGNTQDVLBE-CXAGYDPISA-N	246.394	4.588	0	10	BJAE	
CC(C)c1cccc(NCC2(C)CC=CC2)c1F	2327801457	INPKNUADIGBLRU-UHFFFAOYSA-N	247.357	4.717	0	10	BJAE	
CCCc1ccccc1[C@H](N)C[C@@H](CC)CCC	2328269552	RKZXKTVMNIKGQZ-WMLDXEAASA-N	247.426	4.855	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccnc(C(C)C)c1	2328323411	KXELMVVLTIAQEM-CYBMUJFWSA-N	247.382	4.604	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccccc1Cl	19999363	CMSWDVUJQJYIRE-VXGBXAGGSA-N	239.790	4.967	0	10	BJAE	
CSc1ccc(NC2CCCCCCC2)cc1	21019117	YSVDLKOKARSPCB-UHFFFAOYSA-N	249.423	4.933	0	10	BJAE	
CCc1ccc([C@H](C)N[C@H](C)CCC(C)C)cc1	21041915	QXYIYXQUOILOMW-CABCVRRESA-N	247.426	4.724	0	10	BJAE	
C[C@@H]1C[C@@H](NC2CCCCCC2)CC(C)(C)C1	21520779	DALLMKUMJHLUPS-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@@H]1C[C@@H](c2ccccc2)CCC1=O	44468978	CIAKSJKHEWEKQB-JKSUJKDBSA-N	244.378	4.576	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](CC)c1cccs1	82631383	ACGJMKNWTOUDOV-YPMHNXCESA-N	239.428	4.614	0	10	BJAE	
CC[C@H](Nc1cc(Cl)cc(Cl)c1)C1CC1	83054148	SKAHMBSZPLKNTK-LBPRGKRZSA-N	244.165	4.594	0	10	BJAE	
Cc1ccc2c(c1)C(C)(C)[C@@H](C)CC2(C)C	84403398	JIVANURAWUCQIG-LBPRGKRZSA-N	216.368	4.590	0	10	BJAE	
CSc1ccc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1	84981454	ZMVULWVHKZLZIA-MBNYWOFBSA-N	249.423	4.645	0	10	BJAE	
CCCCCC[C@@]1(O)CCC[C@@H](C(C)C)CC1	87187601	DIAJIBVFIZWEMT-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@@H](C)NCc1cscc1C	87309530	YOERODOHTAXQBM-CYBMUJFWSA-N	239.428	4.505	0	10	BJAE	
CCCCC[C@H](O)C1CCC(C(C)(C)C)CC1	87985365	RQTGYTZMSHQIOO-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)[C@H](O)C(CC)(CC)c1ccccc1	94676291	LNYXYQVLQKQGBU-INIZCTEOSA-N	248.410	4.542	0	10	BJAE	
CCN[C@H](c1c(C)cc(C)cc1C)C(C)(C)CC	110209128	GKUHKTVWNBQXJO-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CCCCCC[C@@H]1CCCc2ccccc2[C@@H]1N	110517911	QLMYIPJWHHQCES-NVXWUHKLSA-N	245.410	4.609	0	10	BJAE	
CCC[C@H](C)C(=O)c1cc(C)c(C)cc1Cl	122205190	JZKWNLPHTWXINU-VIFPVBQESA-N	238.758	4.576	0	10	BJAE	
CCCCC[C@H]1C[C@@H](CCC)CC[C@@H]1CNC	125465519	CVOXTUCMSSLALJ-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@H](C[C@H](C)CCC)C1CCCC1	128233340	KBAPKVAYUKQCJU-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCCCc1ccc(NCC2CCC2)cc1	149444634	ATPSJQQWGFUJAA-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)C1CCCCCC1	149950088	ZKAHUNKYTWLCNP-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](NC)[C@@H](c1ccccc1)[C@@H](C)CC	158347485	AIFPLIRRFJMCDY-BHYGNILZSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C[C@H](C)CC	161052094	BHFPMGSSKGDPEP-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc([C@H]2CCC(F)(F)C2)cc1	200106433	YPIZIXJOMPJUAF-ZDUSSCGKSA-N	224.294	4.713	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC[C@H](C)[C@@H](C)C1	220648638	DXBYBNSVDXBBBD-NOLJZWGESA-N	245.410	4.794	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)c1ccc(C)c(C)c1	225412157	BMCBAHSJSDBUGJ-OIISXLGYSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](O)C1CCCCCC1	226930210	PVRKHMGKQKODDP-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](N)c1ccccc1C(C)(C)C	229168029	ICVGCGYCKFFUIK-MRXNPFEDSA-N	247.426	4.810	0	10	BJAE	
CCCC[C@@H](NCCC)C1(C)CCCCC1	233003923	BYVAGCVSCFOLGA-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)COc1cccc(C)c1C	300094834	VIHQODGVRGVLTI-HNNXBMFYSA-N	234.383	4.899	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](CCC)C1CC1	304371069	UTHTVOBQELPUOC-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
CCc1cccc(N[C@@H]2/C=C/CCCCC2)c1	305993578	MMWMQJIBLFGBLW-WCLQSUPFSA-N	229.367	4.550	0	10	BJAE	
CCCC[C@@](N)(CC)CC1CCC(C)CC1	309439825	LICCFQDBMJVAJV-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
C/C=C/C[C@]1(CNCCC)CCC[C@H](CC)C1	317563385	AIYALHXJJRZPCQ-KBKYZLAFSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@@]1(CNC2CC2)CCC[C@@H]1C	317984951	QYXLWZSCUDZWQE-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)C)cc1)[C@@H]1C[C@@H]1C	321518763	NUJWWWCYQRBJLP-MAZHCROVSA-N	231.383	4.657	0	10	BJAE	
CCCCCC[C@H](N)CC/C=C/c1ccccc1	324099992	CKGCDYNEMVUVPP-VEMDQMBVSA-N	245.410	4.778	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@@H](C)C1CC1	379606321	JSZAYOLPTYAVNM-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Oc1ccc(C)c(C)c1	379883530	WDKISTRLDCMELE-HOCLYGCPSA-N	232.367	4.651	0	10	BJAE	
CC(C)CCCCCSc1ccc(N)cc1	381084422	SIYCYSWHXZAVJV-UHFFFAOYSA-N	237.412	4.577	0	10	BJAE	
CC[C@](C)(CCC1CCCC1)CNC(C)(C)C	383150793	BBJRZZQGYIMQTI-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCC1(CN)CCCCC1	383295479	RUZHELZIFDVIDU-UHFFFAOYSA-N	225.420	4.502	0	10	BJAE	
CCC1(C[C@H](N)CC2CCCCCC2)CCC1	383702112	SHJYPZKSKXKOIK-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCC1(CC(=O)CCCc2ccccc2)CCC1	386790851	LJGCXAUVIDGBJR-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CCC(CC)(CC)CNCC1CCC(C)CC1	391165063	IHYIHAPSRTXNBD-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)Oc1cc(Cl)ccc1Cl	393769205	VGCRRBFRXRUCBC-VIFPVBQESA-N	247.165	4.807	0	10	BJAE	
Cc1ccc(OCC2CCC(C)(C)CC2)cc1	393838839	FVJWYTZOWAYJBX-UHFFFAOYSA-N	232.367	4.590	0	10	BJAE	
CC[C@H]1CCC[C@H]1NCC1(C)CCCCCC1	394577884	AIPOJNXZEQYNRT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCCC23CCC3)c(C)c1	394799879	DPRUKMDFBKCPIF-HNNXBMFYSA-N	243.394	4.747	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1cccc(Cl)c1	395115166	KTOKWKXORLOACY-SNVBAGLBSA-N	225.763	4.577	0	10	BJAE	
CCc1cc(C(F)F)c2ccsc2c1CC	396165621	FAVPAHXCFTXFHW-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CSc1ccc(C(F)F)c2scc(F)c12	396238172	JLQDHVPIGMIUDG-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
COc1c(Cl)sc2cc(C(F)F)ccc12	396296842	ZVWPXLXFSHFDQJ-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1cc2sc(C(F)(F)F)cc2cc1C	396307040	QRDCUBLCEQRQCX-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCC[C@@H](Nc1ccc(F)c(C)c1)[C@H]1CC1(C)C	397772093	NBDRKVMHPLFHNZ-UKRRQHHQSA-N	249.373	4.761	0	10	BJAE	
O=C(C[C@H]1CC=CCC1)C(C1CCC1)C1CCC1	402241596	MJRVGVAEBVAISZ-ZDUSSCGKSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccc3c(c2)CCCC3)C1	404627015	DKRWBLBLMMKKNT-CZUORRHYSA-N	243.394	4.556	0	10	BJAE	
COc1cc(C)cc2c(C3CCCCC3)c[nH]c12	527400271	MZHAYMBUHKXPJL-UHFFFAOYSA-N	243.350	4.533	0	10	BJAE	
CCCCC[C@H](C)CCOC(=S)CCC	585663911	FAMIEDQBXLQGBQ-LBPRGKRZSA-N	230.417	4.737	0	10	BJAE	
CC(C)(C)C1CCC(=C(F)Br)CC1	685946801	CBFQVTIDCHLBNW-UHFFFAOYSA-N	249.167	4.799	0	10	BJAE	
CC(C)c1cccc(NCCCC2CCC2)c1	688382649	TYKAYIOKJSOXHF-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
C[C@H](CC1CCCC1)Nc1ccc2[nH]ccc2c1	689715948	HVDASTYNPOWCTB-GFCCVEGCSA-N	242.366	4.549	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCCC[C@H]1C	691187464	PJHFBWVJPSCDHR-PMPSAXMXSA-N	240.431	4.924	0	10	BJAE	
Cc1c(CC2CC=CC2)ccc2ccccc12	692125685	UJQSCWUNUXVZIR-UHFFFAOYSA-N	222.331	4.657	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCCC23CCC3)CC1	694047898	XQSQQBAYNAQXRU-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CC1CCCC1	697758918	JQTFKBABTJQAIW-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1CC[C@@](C)(C(=O)CCC(C)(C)C)C1(C)C	699088107	SWIGKMUZDFZRDR-LRDDRELGSA-N	238.415	4.844	0	10	BJAE	
CC(C)c1cccc(-c2nc(Cl)cs2)c1	701532851	VDWOVUHLXITMEY-UHFFFAOYSA-N	237.755	4.587	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CCCC(C)(C)C	704902600	JEYXSDNGSATAOS-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCCC12CCC2	704906918	GCMWAIUMXXGGBG-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC(CC(=O)C2CC(C)(C)C2)CC1	706145683	OMQMDKNRJARFBN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]3CCC[C@H]32)cc(C2CC2)c1	707774796	QGTXJRQSYBDUBF-IAOVAPTHSA-N	241.378	4.555	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H](C)CC(C)(C)C	708251079	UIUXKPPHXXDDRQ-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@@H](C)CC(C)(C)C	708257111	NTZFHFCREJVLHM-BBRMVZONSA-N	247.426	4.882	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)[C@H](C)CC(C)(C)C	708299702	GBNTZRFYCMKKIN-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](N[C@@H](C)C(C)(C)CC)c1cccs1	710023278	GOUIBQRBQZYQLY-RYUDHWBXSA-N	239.428	4.614	0	10	BJAE	
CC[C@H](C[C@H](O)CC1CCCCC1)C(C)(C)C	711183331	VWTNUVGQADJDOH-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H]1CCC[C@H](CC(C)(C)C(C)C)C1	713171855	AAYJPKXKJBPYAF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCC1(N)CCC(CCCC)CC1	713673233	UQICXVRQRKVZRZ-FNORWQNLSA-N	235.415	4.587	0	10	BJAE	
C=C/C=C/CC[C@@H]1C[C@H](CCC)CC[C@H]1CNC	713710907	PAMIFNWIWPIOMD-QUWVXFTRSA-N	249.442	4.561	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@@H]1CC[C@@H]2C[C@@H]12	716852797	WWDSJBMKQKAUPN-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCNCC1(CC2(C)CCCC2)CCC=CCC1	718067633	JWTHKBYAYJITMF-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC[C@](O)(CCC(C)=C(C)C)Cc1ccccc1	718688811	GOIIHJOKRQOORJ-KRWDZBQOSA-N	246.394	4.507	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H]1CCCCCC1(C)C	719217606	DQMGYWFIOHZGSQ-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C[C@H]1CC12CC2	723180647	AKSFIZIEKXVATE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
c1ccc2c(c1)CC[C@@H]2SC1CCCCC1	1164659966	NKRJMYNPNRCUKR-HNNXBMFYSA-N	232.392	4.740	0	10	BJAE	
CC(=O)c1cc(-c2c(C)cc(C)cc2C)cs1	1244623296	BTYUSINIOUVZNO-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
C=C/C=C/CCS[C@H](C)c1ccccc1OC	1640941804	MDHYUQZGYUZNSF-URWSZGRFSA-N	248.391	4.622	0	10	BJAE	
C=C/C=C\CCSC(CC)(CC)CC	1641057696	DPMDGJPMWAOCQH-KTKRTIGZSA-N	212.402	4.821	0	10	BJAE	
CC[C@@H]1CCC[C@H]1CNC1CCCCCCC1	1659239249	CDRUQCIFEQLADW-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C=CC=CCCc1cccc(SC(C)C)c1	1905163150	VIAZCXZKIWKUDC-UHFFFAOYSA-N	232.392	4.862	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)C1(C)CCCC1	1905383985	VJMXOVBJWWHTIQ-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@H]2C(C)(C)C)CCCCC1	1910659823	PPNZVXCDTQDRJT-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCCCCC(=O)[C@@H]1C[C@H]1C1CCCCC1	1910660920	IVRIPTGTXUQWRE-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC(=O)C1CC2(CCCCC2)C1	1912628311	JXTWLXQBHUEZLH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCCF)[C@@H](CCC)CC(C)C	1913286044	DJNHKJIDAHEQIJ-LSDHHAIUSA-N	245.426	4.567	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1CC1[C@H]2CCC[C@H]12	1913389664	MGIDYEIPXWNUPV-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H](N[C@H]1CCC2(CCCC2)C1)C1CCC1	1916397827	MKDOEHHWNJYWFD-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC3(CCCC3)C2)c1	1916429576	ZZAROLPPBDGWES-OAHLLOKOSA-N	243.394	4.828	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)[C@@H](C)CCC(C)C	1920200260	YUXPTOWGSWAKOF-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CCCc1ccccc1[C@](N)(CC)C[C@H](C)CC	1920200696	DFTSMHMCMAUWSE-PBHICJAKSA-N	247.426	4.639	0	10	BJAE	
C[C@@](CN)(CCC1CCCCC1)C1CCCC1	1924072115	GEFDLQMIGVQYKQ-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H](C)C1CCCC1	1924126071	PKJMTUZBALZWPL-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@@H]1C=CCCCC1	1925877514	QOWXQCCXMLEUCC-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCc1ccc([C@H](N)CC(CC)CC)s1	1926371783	JIYYCSSIKGRJTR-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
CCC(F)(F)C(C)(C)CC[C@@H]1C=CCC1	1932595415	KGNXSEVMSVDMGE-LLVKDONJSA-N	216.315	4.804	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CC1(C)CCCCC1	1935624113	YVBKEEITFGKEHI-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCc1cscc1C(=O)C[C@@H](C)C(C)(C)C	1938809692	IMWBGFBTWOJFSE-SNVBAGLBSA-N	238.396	4.566	0	10	BJAE	
CCC[C@](N)(CC1(C)CCCCC1)C1CCC1	1940410730	SRLZYMWJXBEOMS-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)[C@H](C)CCC	1940855063	CIGDPHXNPRYDCP-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@@H](CC(C)C)C(C)C	1941244043	RRZHHQHHDQJVAV-HOTGVXAUSA-N	240.431	4.802	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCCCCC2CC2)C1	1941580893	FFJRAAJBGKYLNA-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
N[C@@H](CC1=CCCCC1)c1sccc1C1CC1	1945799430	IOATVORQWNVMLY-AWEZNQCLSA-N	247.407	4.516	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCC[C@@H]2C(C)C)c1	1947460382	GDDXWCOCXWOKPI-CABCVRRESA-N	231.383	4.540	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CCCCCC1CC1	1947470547	VAVZIBYGHJLZJF-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)NCCC1CCCCC1	1948327401	PARWKBPWHREKDC-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@@H](N)C[C@H](C)C2CCCCC2)CCC1	1948934819	LABIGFLZAPKVOD-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H]1C=CCCCC1	1949138524	GTHOIUNSXTVFDJ-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC1CC2(CCC2)C1	1949836795	CGMVIUCBCZNZCV-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)C1(CO)CCC(C)(C)CC1	1950912469	XRANNTQBDJFCFH-CQSZACIVSA-N	240.431	4.638	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)[C@H]1CCCC(C)(C)CC1	1950914647	RQXHOOZNNDLEOC-AJNGGQMLSA-N	240.431	4.636	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)c1F	1965896906	WJVYEBOOUNXWPI-BFHYXJOUSA-N	247.357	4.515	0	10	BJAE	
Cc1ccc(F)c(NC2CC(C)(C)C(C)(C)C2)c1	1968341586	NTZFYXNYSAWETC-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCC1(CC)CCC(NC[C@H](C)C(C)C)CC1	1970064169	FKKLZOLSZVSSJY-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@H](Nc1cccc2ccsc12)C1(C)CCC1	1971685964	OKYOJUQISWZHDP-NSHDSACASA-N	245.391	4.892	0	10	BJAE	
C[C@H](NC1CCC(C2CCC2)CC1)C1(C)CCC1	1973037592	DBPHSVSFZOCFOL-JEYLPNPQSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(NC[C@H]2CCCC(C)(C)C2)cs1	1980273360	CZONDYLJDXJGSJ-LBPRGKRZSA-N	237.412	4.685	0	10	BJAE	
CCCCC[C@H](C[C@@H](C)C(C)C)NCCC	1988221984	UXXKFEXPIHQUJE-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@H](C)Cn1ccc2cccc(Cl)c21	1988295833	QIACIZRBFIOOIU-LLVKDONJSA-N	235.758	4.587	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H](C)CC(C)C	1990090008	UIUASZLRZIFTTC-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CC(C)CCCC(=O)CCCCC(F)(F)F	1993585685	RZAZJXFJIIHWLS-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H]1CC[C@H](C)C1)NCC	1996613142	OLDWXZYHYRPTGN-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)C1=CCCCCC1	1996614429	CVWUYNKEJJMRMQ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1CCC[C@H](CC)CC1	1997109339	OPURLPKNXMRADH-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CCC1CC(C(C)(C)C)C1)NC	1998235397	WFYWIZXDSGTEIJ-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)N(C)CC(C)(C)C(F)(F)CC	2000892086	SLSGXHMJYZLRSB-LBPRGKRZSA-N	249.389	4.568	0	10	BJAE	
CCC(C)(C)C[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2002998929	PBRXIVYSKNZGHW-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@@H]1CCCC2(CC2)C1	2003220240	GKVZKCMYPSAVKG-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C1(C)CCCCCCC1	2004920397	JRRGFDWMQLUWCR-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CCN[C@@H](CC(C)C)C1(C)CCCCCCC1	2004921962	BTQYRGZTQGPNRS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C1(C)CCCCCCC1	2004937187	LJRBEMVTAKQWRG-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC1CCC([C@@H]2CC(=O)C[C@@H](CC)C2)CC1	2006674882	WEYYHMMABJCWRJ-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1C=CCCC1(C)C	2006900118	CJQJMTLIELWZCL-UONOGXRCSA-N	237.431	4.536	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H](C)CC(C)C	2007935633	WJBRKUONFUEDAV-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCC1(O)CCC(CC)(CC)CC1	2009592518	LHOLVDWFNOERQD-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C)CC1)C(CC)CC	2010620198	BTZZOCUJLJXYKR-XJKSGUPXSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1C=CCCC1(C)C	2013270734	LDJQQNHCTOBZPU-GJZGRUSLSA-N	237.431	4.536	0	10	BJAE	
CC1([C@@](C)(N)CCC2CCCCC2)CCCC1	2014340281	PXPDGQKBVDGMNF-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)C(C[C@@](C)(O)CC1CCCC1)C(C)C	2015278656	QDKSATPJGJYGJD-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@]1(N)C=CCCCC1)C(C)C	2015390112	HDMDIWUPBYITLT-INIZCTEOSA-N	237.431	4.523	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C[C@H](C)C(C)C	2015397725	JQDVHCGFRIHESD-OFQRWUPVSA-N	237.431	4.523	0	10	BJAE	
CN[C@@H](CC[C@H](C)C(C)C)CC1CCCCC1	2015410752	DJFWJEXXGPERNG-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H](C)C[C@@H]2CCCCN2)CCC1	2015642457	QNUVNLLQRWPGAE-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC1CCC(C)CC1	2016114968	MZCFMZQCMATWLA-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)C1CCCCC1	2016149207	HAZJKNYENUVJLZ-LSDHHAIUSA-N	237.431	4.680	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccc(F)cc1F	2016149920	OCUFVBXSOLCOIK-NSHDSACASA-N	239.309	4.512	0	10	BJAE	
CCC(C)(CC)[C@H](C[C@H]1CC[C@H](C)CC1)NC	2017722782	HSQUZBDKYZGDSO-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@H](C)C[C@@H](C)NC)CC1	2017732488	BHSHMYPTQTUSRX-WXLSXGNJSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@H](O)[C@H](CC(C)C)C(C)C)CC1	2018973465	CQCBXAJIGVZZEQ-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@@H](C)CC(C)(C)C	2019000896	SXFGBIOHUYEWNJ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)[C@H](C[C@@H](C)C(C)(C)C)NCCC	2020969618	QAVLGJFCTNDTQR-HIFRSBDPSA-N	239.447	4.783	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H]1C[C@@H]1CCC	2022567668	IHNCKLWRZZXPHM-XHSDSOJGSA-N	239.447	4.713	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCCCCC(C)(F)F	2023361941	FGWGBUGCJSAZOG-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H]1CC(C)(C)C[C@H]1CC(C)(C)CC	2023607845	RBZPMFRISDCHFB-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)CCC[C@@H]2CC2(C)C)c1	2027843264	PDOOIUCKOOKDID-ZBFHGGJFSA-N	246.394	4.553	0	10	BJAE	
C1CCCC(NC[C@]23CCCC[C@H]2CCC3)CC1	2031755136	REMLQZBJRZAPEO-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](Nc1ccccc1C1(C)CC1)[C@@H]1C[C@H]1C	2032246413	QBGHEPKYOUXLLY-NFAWXSAZSA-N	243.394	4.585	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CCC[C@H](F)C2)c1	2034874409	OPMRKZJEYGINNE-GJZGRUSLSA-N	248.341	4.521	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CC[C@H](C)[C@H]1C(C)C	2035406363	BJBAJKHGHUMIPM-IUIKQTSFSA-N	249.373	4.617	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2C=CCC2)CCCC[C@H]1C	2035590608	KRPVAQYSUOJWHD-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CNC[C@]1(CCC2CCCCC2)CC12CCCC2	2036095451	QBZQCFLIBCDMFU-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	2036659397	BPNNPFBXWCIGMY-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CCC=CCC1)CC1CCCCC1	2037207477	XKHQRULLIJCKPQ-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC1CC2(CCC(C)CC2)C1	2038941655	VNEAOMOREJNMID-FPLXTJHRSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC[C@H]2CC23CCCCC3)CC1	2039057607	GPKGGUTVHRCUJF-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1ccco1)[C@@H]1CCCC(C)(C)CC1	2039379563	ASASGNMOILIHSB-HIFRSBDPSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2CC=CCC2)CC1	2039380231	HBGZXVKZOMFGQW-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)c2ccc(F)cc2)CC1	2039385077	NJOXSXZLPYVFBF-GFCCVEGCSA-N	248.341	4.615	0	10	BJAE	
C[C@H](NC1CC(C2CCC2)C1)C1(C)CCCCC1	2039846552	MUIYNONTUPMAPK-JEYLPNPQSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NC[C@H]1C=CCCCC1)C1(C)CCCCC1	2039872373	MOIDZRBFWBRTJY-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC[C@H]1CC[C@@H](C)C1)c1ccccc1	2040165192	GDEBTYLCJJETAN-HLLBOEOZSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1C[C@@H](N[C@H]2CCCC3(CCC3)C2)CC[C@H]1C	2041290047	NHSQNDFWNFYJDM-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H](CNC2CC3(CCCC3)C2)CC1	2041374389	ABJZXPNVKBHTJO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)[C@@H]1CC=CCC1	2042022100	OATRKBHVEXCKRK-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C1CC1)C1(C)CC=CC1	2042026926	ISZGDHULNJPCOJ-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
O[C@H](CCC1CCC1)c1cccc(C2CCC2)c1	2042746345	DJFPQFQBVFTPSA-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CC(=C[C@H]1CCC=CCCC1)C[C@@H]1CCCCN1	2045318954	ZRQYSSHLZZFOQY-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC=CCCC1)C1CCC1	2045324288	UCVKXSUTRJHOLE-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](NC2CC3(CCCCCC3)C2)CC1	2046225895	AFOILNAHBDDOOS-SHTZXODSSA-N	249.442	4.658	0	10	BJAE	
CCc1ccc(N(C)CCC[C@H]2CC2(C)C)cc1	2046571322	RYQPUBZCUIMSBV-HNNXBMFYSA-N	245.410	4.512	0	10	BJAE	
C[C@@](N)(C[C@H]1CC12CCCCC2)C1CCCCC1	2047055831	NVCUTEJMJAXZFH-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@@H]1CCC12CCC2	2047939617	OWJMSRJPHWUXQB-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2CCC[C@H](C)C2)c(C)c1	2049537971	WCCNXYPWKGEHKJ-APHBMKBZSA-N	245.410	4.930	0	10	BJAE	
C[C@@]1(C(=O)CC2CCC3(CC2)CC3)CC=CCC1	2049950525	IBNVZVYWBWUZFS-MRXNPFEDSA-N	246.394	4.662	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@H]1CCCCC12CC2	2053410773	GUASUZCGWJWJIR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1C(=O)[C@H]1CCC[C@@H]1C(C)C	2056452403	QYVCKJBUYHEOLH-ZBFHGGJFSA-N	244.378	4.504	0	10	BJAE	
CC1CCC(C)([C@@H](N)CCC2=CCCCC2)CC1	2056555935	CAJLGLZYSUYUNU-WIHSUSGWSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2CC(C3CCC3)C2)C1	2056641226	XIYDFNWSTDRPMB-VFNXUKNFSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1C[C@H]2CCCCCC[C@H]21	2059248243	ZYQMXAUABGCOKO-MEXOCTMJSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](CC)CC1)C1CC(C)C1	2061082649	WYMQXAGJVUSZRE-VLVHBFOGSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CCC1)C1=CC[C@@H](C(C)C)CC1	2061089772	VZARGTWLWLEYPI-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)CCC2CCCC2)CC1	2061150422	KYLYVHSBRYWXDN-NVXWUHKLSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@]23CCC[C@@H]2C3)CC1	2061607647	RVCJPFSIMCKJMB-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC1CC(=C2CC2)C1	2061666128	WYDNZUCTNUSSAG-IRXDYDNUSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC1CC(=C2CC2)C1	2061726989	WUZINJUGBGRKSF-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)CC1CC(=C2CCC2)C1	2061736879	LOGMGTGCYSKHMM-DYVFJYSZSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H](N[C@@H]1CCCCCC12CC2)C1CCC1	2062017629	ALWJSWTWEOZYDB-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063534715	BTSLOIXJBGEEQG-PXEOUSFJSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H]1C[C@@H](CCC=C(C)C)CC2(CCC2)C1	2063642767	YGXFLTNTMCIJJE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2CC(=O)CC3(CCC3)C2)C1	2063720761	LCIHVFTZYGENMS-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
O=C1C[C@@H](C[C@H]2C=CCCCC2)CC2(CCC2)C1	2063727566	XICYBRAGSQFLQD-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
C[C@H](C[C@@](C)(N)C1CC2(CC2)C1)C1CCCCC1	2064490114	WUCLTQAYEIHBRB-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1cccc(C(C)C)n1	2066347425	QSFWQFVCIDRUPQ-HIFRSBDPSA-N	246.398	4.586	0	10	BJAE	
Cc1cc([C@@H](C)N[C@@H](C)C2(C)CCCC2)c(C)o1	2067508410	LOCRGRGDRIGTBE-OCCSQVGLSA-N	249.398	4.516	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)c1cc(C)c(C)o1	2068907870	ARJCLVRURHMZRR-KEDPEKRHSA-N	249.398	4.684	0	10	BJAE	
CCCC1(CN2CC[C@@H]2C2CCCCC2)CCC1	2069268413	QNHLFGYSMDIZNE-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCCC1(CC2CCC3(CCCN3)CC2)CCC1	2069345010	QEASJLVMKXAONR-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H](Nc1cccc2ccccc12)C1CC=CC1	2070792665	BNUNADAWELOPCE-ZDUSSCGKSA-N	237.346	4.606	0	10	BJAE	
C1CCCC(CN[C@@H]2CC[C@@H]2C2CCC2)CCC1	2071828852	CKNMAPXKOYRQOY-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(CC2CCC3(CC2)C[C@H]3N)CCC1	2071944894	BEBDBFJEEMKIOT-NPCAHTBFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)ccc1NCC1(C(C)(C)C)CCC1	2071954499	VZPKGVKHYXMQHD-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CCC1CCC(CC(=O)C[C@H]2C[C@H]2C2CC2)CC1	2072870280	AIDWNZDVHCXQHZ-ITMHDFIRSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)c2cc(C)oc2C)CC1	2072876253	YECIJYMVJKCKQR-HDJSIYSDSA-N	248.366	4.686	0	10	BJAE	
CN(C1CCCCCCC1)[C@H]1C=CCCCCC1	2074809616	KXIUUKUQOGBSCP-INIZCTEOSA-N	249.442	4.920	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@H]1C[C@H]1C1CCCCCC1	2079522847	LGYVEGZGAJSSBB-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)C1(C)CCC2(CC2)CC1	2079853444	UYRRDYOSITVRMC-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCNC[C@@]1([C@H]2C=CCC2)CCCCC1(C)C	2081681849	HQRRNOLEFWXPGA-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H](C)C(=O)Cc1cc(C)cc(C)c1C	2082949401	VUTHIUHBSVRPEG-CYBMUJFWSA-N	246.394	4.550	0	10	BJAE	
CC1(C)CC(CC2=C[C@@H](N)CCC2)CC(C)(C)C1	2082990700	KITLFUFFVMCPQB-HNNXBMFYSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H]2CC(C)(C)CC3(CC3)C2)C1	2085262158	XJHXZVNXAAUJRT-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CCCCC1CC1	2211113508	KSDZNOFVAZYVOL-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC1([C@](C)(O)CCCCCCC2CC2)CCC1	2213573424	HOOVNKKKGFQCRW-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC1(C)C[C@@]1(C)[C@H](N)CCCCCCC1CC1	2213575803	JITNRYQIHLXHBS-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCCCC2CC2)[C@H](O)CC1	2214569094	MJZWXWKPFPDUPL-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](CCCCC1CC1)NCC	2214577162	AZINRDUWRCVDQQ-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
C[C@H]1CC[C@@H](NCCCCCCCC2CC2)C1	2216871484	LIFOONFORJVXJK-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
O=C(CCCCCCC1CC1)CC1C[C@H]2C[C@@H]2C1	2218724807	KKXNESYPHIWKAZ-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
C(CCNC1CCC(C2CC2)CC1)CCC1CC1	2218898214	HEAOZVORWQFGCO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)CC=Cc1ccccc1	2219088798	UXUCYMLWKQVGSS-HZPDHXFCSA-N	245.410	4.504	0	10	BJAE	
CCC[C@H](Nc1ccnc(C(C)C)c1)C1CCC1	2220870038	ZSFQCGYXEPXNBP-HNNXBMFYSA-N	246.398	4.586	0	10	BJAE	
CC1=CC[C@](N)(C2CCC(C(C)(C)C)CC2)CC1	2221669520	YDTWLQGJAGAADZ-VMBOVVBDSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)n(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1	2222970659	DGFVGLMUYQAKLO-IKGGRYGDSA-N	245.410	4.711	0	10	BJAE	
CC[C@H](C)NCC1(C2CCC2)CC2(CCCC2)C1	2223570038	WSNLILZPFZNAQV-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@](C)(O)CCC[C@@H]1CCCCC12CC2	2246618760	XZFAXRSQWATUPT-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@H](O)CC1CC2(CCCC2)C1	2246773246	XOPBTDOSEHADKF-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@H](CCCC[C@H]1C[C@H]1C)NC	2247162423	GOWSARXXSXDCGB-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CCCC[C@@H]1C[C@@H]1C)C1CCCC1	2247175746	KTOGRWHQSPKJDU-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(O)(C[C@@H]2CCC2(C)C)CC1	2247405106	AQJNTQVPQXYHQL-JEYLPNPQSA-N	238.415	4.534	0	10	BJAE	
CCCC(N)(CCC)CC[C@H]1CCCC12CC2	2247666905	UVYWELLGBHIMTI-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)[C@@H]1CC12CCC2	2248275748	OMGYZJPVIQRFJM-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCN(C)CCCCC[C@H]1C[C@H]1C	2248840776	MDXCVJCSEDNRDV-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
CN[C@H](CC[C@H](C)CCCC(C)C)C1(C)CC1	2250488649	PDKXJOCKKXBPEF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@H]1CCCCC12CC2)C(C)=C(C)C	2253815359	IRZIVRPTPJLRRF-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc2c1N[C@@H](CC1CCCCC1)CC2	2253853691	JGYKPWVDMKHKNO-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
Cc1cccc2c1N[C@@H]([C@@H]1CCC(C)(C)C1)CC2	2253866269	DFMXSTAATLNAPN-HUUCEWRRSA-N	243.394	4.548	0	10	BJAE	
C[C@H](CC[C@H]1CCCCC12CC2)C[C@H]1CCCN1	2253886819	PBXOMLJCCPRFIV-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CCC23CCCC3)C1	2253999678	YHEGKQRVWKDOAP-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCN(CCCC[C@@H]1C[C@H]1C)c1cccc(C)c1	2254578979	CUIGJENMFIRZER-HZPDHXFCSA-N	245.410	4.648	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)CC(C1CC1)C1CC1	2254590865	XKSYFEBAJLUQFI-SWLSCSKDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@H]2CCC23CCC3)C1	2255008991	NAQXAFRKMQRYKV-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@H]1CCCC12CC2)CC1(C)CC1	2255284920	CVOPNLIVOWGOEY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CCC23CCC3)c1	2257905297	PSYPNAVXTNCMIJ-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
CC1(NC[C@@]23CCCC[C@H]2CC3)CCCCCC1	2260597049	SKJQLNNVWAMGLC-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](NC[C@]2(C)C=CCC2)C1	2261392638	PTIJXJUKNDOXRT-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@@H](C)CC1CCC1	2298863933	GYGKZBDKIQGNAH-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCC[C@H]1C1CC1	2300679431	SNBIGEJAQMGQRT-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCC(C)(C)[C@H]1NC	2300684857	YQIURRXKKLXVRE-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(N)C[C@H](C)CC(C)(C)C1	2300698908	COVBKTHDUJAPJS-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC=CC[C@@H](NC)C1CCC(CCCC)CC1	2300873201	XHEQNQXIWLJPJE-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](O)CC2CCCCCC2)CC1	2301206035	YJUOPMZOJODJRD-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CO)CC1CCCCCC1	2301240943	DYRYCDOXXUSDOL-ZBFHGGJFSA-N	238.415	4.536	0	10	BJAE	
Nc1ccc(C=CCCC2=CCCCC2)cc1	2302359660	TTZFCXNPILJURM-UHFFFAOYSA-N	227.351	4.563	0	10	BJAE	
CCCC1(C[C@@H](N)CCCCC2CC2)CCC1	2302573787	IGCSWPXGPLXASK-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)C[C@@H]1CCC(C)(C)C1	2302750762	LQNFUZXWLBWVRK-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCc1cscc1NCC1CC(=C2CCC2)C1	2302883166	SENLZHCIPYLMHY-UHFFFAOYSA-N	247.407	4.613	0	10	BJAE	
CC1(C)CC[C@H](C[C@](C)(O)C2(C)CCCC2)C1	2302898723	IXYWQLCXWHRWAX-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H](C)c2csc(C)c2)CC1	2303455279	CSUPCMQASQNENR-ZFWWWQNUSA-N	249.423	4.596	0	10	BJAE	
CC[C@@H](C(=O)C[C@@H]1CCC(C)=C(C)C1)C(C)C	2303590110	VXTMZHBVKVDLNS-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)CCCCC[C@H]1CC	2303624919	WRYGFSMEHGLNNB-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)c1nc(C2CC3(CC3)C2)cs1	2304393053	CCVDVXJITQSIDQ-UHFFFAOYSA-N	249.423	4.878	0	10	BJAE	
CCC[C@H](CC)CN1CCC[C@@H](C(C)C)CC1	2307761400	RUQHPSWDTALEKT-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@H](NCC)[C@@H]1CC	2307908983	RTCAASDLBBEITF-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1(C(C)(C)C)CCC1	2307910136	XJASYPNYTXQCNH-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CC[C@@H]3C[C@@H]3C2)CCCCCC1	2309141010	NRNZZYQNESMCJM-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@@H]1C[C@H]1C1CCCCCC1	2311539045	RSZYLBOESWKJTO-RRQGHBQHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C[C@@]23CCC[C@@H]2CC3)C1	2313348641	JRHCYZLIXMEJNO-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@@]12CCC[C@@H]1CC2)[C@@H]1CC1(C)C	2313349021	QSOHPTKZAPMOHH-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2313645468	QEKOXJGPMZNVDN-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(C(=O)CC(C)(C)C2CC2)ccc1C	2314701839	GTMRQQCFZZHYNR-UHFFFAOYSA-N	244.378	4.566	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)Cc1ccc(C)cc1	2316235235	IJHOQOCNHUUQQJ-QGZVFWFLSA-N	248.410	4.505	0	10	BJAE	
CCCNC[C@]1(CC=C(C)CC)CCCC12CC2	2316490813	MHQJHEHLMPWCAY-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H]1C[C@@H]2CC[C@@H]2C1	2316510562	NGYYACZWEVDLIC-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316753161	VMGUKXMOYKOCIU-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@H]1CC2	2316883267	GYAAKSABWDFLFW-BQJWPVKWSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC1CCCCCC1	2317010918	SNNDWCYLAUSDCG-WMLDXEAASA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1[C@@]1(N)CCCC2(CCCCC2)C1	2317083898	PUDWCQMHJWMZQA-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCC12CCC2	2317929667	NLCOYOYEMWOZGL-OAHLLOKOSA-N	247.357	4.694	0	10	BJAE	
CC1=C(C)[C@H](N)[C@@H](CCCC2=CCCCC2)CC1	2318538647	JQUJZYMUZHBVSC-IRXDYDNUSA-N	247.426	4.731	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@H](C)C1CCC1	2318587795	VWQZRPAWIUJXFK-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(O)C=CCC(C)(C)C2)CC1	2320341675	WSVBPKNHYVQLHA-WBVHZDCISA-N	248.410	4.620	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N(C[C@@H]2CCC(C)=C(C)C2)C1	2320346501	FSSOIFRSIJSGSQ-GVDBMIGSSA-N	249.442	4.633	0	10	BJAE	
CC(C)CCC[C@H](O)Cc1cccc(C(C)C)c1	2320622949	KFQNWBPGFNVZMA-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H](CC)c1ccccc1	2328280499	ARJJAFWFYMXZHQ-UAGQMJEPSA-N	247.426	4.724	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NC[C@@H](C)c1ccccc1	19233012	ZNJURAAFWOWRPM-INMHGKMJSA-N	247.426	4.595	0	10	BJAE	
CCc1ccccc1N[C@@H](CC)C[C@H](C)CC	20547502	QUFQOMAGAGMRBY-HIFRSBDPSA-N	233.399	4.876	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCC[C@H](C)C2)cc1	21014167	SGNYGRPFQJMKMD-XJKSGUPXSA-N	231.383	4.801	0	10	BJAE	
CCc1cccc(N[C@@H](CC)C[C@H](C)CC)c1	21023326	AGZSBZXTWPFYBB-HIFRSBDPSA-N	233.399	4.876	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccc(F)cc1	21789616	HQYSWISGHMMJSV-RCBQFDQVSA-N	249.373	4.698	0	10	BJAE	
Clc1ccc2c(c1)Nc1ccccc1C=C2	32255199	QWVAWNHYONGJOY-UHFFFAOYSA-N	227.694	4.567	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)(C)C)c1ccc(C)cc1	35466120	YLJJQEHKDFUFFH-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)c1cccs1	36974610	VQWPQJLMRXIYQR-LBPRGKRZSA-N	245.391	4.874	0	10	BJAE	
CC[C@@H](C)Cc1ccc(-c2ccc(O)cc2)cc1	38351538	NJILCTCTAPYSNT-CYBMUJFWSA-N	240.346	4.648	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1cccc2ccccc12	54439200	PHWDOIVEMUYAHO-SUMWQHHRSA-N	241.378	4.537	0	10	BJAE	
CC(C)(C)P(Cc1ccccn1)C(C)(C)C	59202163	JVEFIYMSSSXANH-UHFFFAOYSA-N	237.327	4.661	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@H](C)C(C)C	70123742	DGBBYUBJVOHKIQ-PBHICJAKSA-N	247.426	4.753	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)c1ccc(C(C)C)cc1	71163486	MPPVQICDXNFURD-RDJZCZTQSA-N	246.394	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H](C)C2CCCCC2)C1	83640382	LFYRDYJSWYAASU-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCC[C@@H](CC)C1	85064461	MEQSPTJDYFLSKJ-FZKCQIBNSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccc3ccccc3c2)[C@@H]1C	86078864	QNRFIHJIJCXVOQ-XNJGSVPQSA-N	239.362	4.686	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C)CC2)cc1F	86879155	LOBYAPMXKIHCHV-DGCLKSJQSA-N	235.346	4.515	0	10	BJAE	
C[C@@H](N[C@H]1CCCC(C)(C)CC1)c1ccccc1	86893338	HOAQMLFZLNDUGO-ZBFHGGJFSA-N	245.410	4.696	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC(C)(C)CC1)C1CCCC1	86909425	MKAXLBNFKDLJFO-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CSc1ccc(N[C@@H]2CCCCC2(C)C)cc1	94273665	DGEVHUQTHMEJTG-CQSZACIVSA-N	249.423	4.789	0	10	BJAE	
C[C@H]1CCc2c(sc(N)c2C2CCCCC2)C1	105556122	IUKGFHLSLHRDSM-JTQLQIEISA-N	249.423	4.503	0	10	BJAE	
CCCc1ccc2nc(CC)c(C)c(Cl)c2c1	110471296	CGTIGAJENZKKMK-UHFFFAOYSA-N	247.769	4.712	0	10	BJAE	
CCC(CC)[C@@H](C)NCC[C@H](C)c1ccccc1	111666734	RWFLGFSUHUCASV-LSDHHAIUSA-N	247.426	4.595	0	10	BJAE	
CCCCCC[C@H](NCC)c1ccc(CC)cc1	112891053	ZAELMJRLUVVUJF-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)c1ccc(C)cc1C	167284766	XQAXMKPQNRSMFQ-GUYCJALGSA-N	247.426	4.780	0	10	BJAE	
O[C@@H](CC1CCCCCC1)CC1CCCCC1	168813925	FBLXLQRPJHKHOJ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C/C=C\CCNCCC	211615495	WMVWUKOINGJEJR-CDNLZTBQSA-N	225.420	4.539	0	10	BJAE	
CC[C@H](C)C[C@@]1(N)CCC[C@@H](C(C)(C)C)CC1	226551978	DJGHGJOZOQYSMD-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CCC2CCCCC2)c1	229476318	WZLKFDUNIDYIDQ-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
CCCNC[C@H](c1cccc(C)c1)[C@@H](C)CCC	233087400	LMDGOXYOHDCEIQ-RDJZCZTQSA-N	247.426	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2c[nH]c3c(F)cc(F)cc23)C1	235444585	MLFCYSGONXRQBD-NXEZZACHSA-N	249.304	4.740	0	10	BJAE	
Cl/C=C/CNc1ccc(-c2ccccc2)cc1	236016367	FIZQBZPCGPXMBW-NYYWCZLTSA-N	243.737	4.518	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@]1(N)CCC(C)(C)C	251737908	CQXNGMBIRGCJHP-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CCCC(F)(F)c1cccc(C(F)(F)F)c1	259252437	AKEVZXTWTDXQGF-UHFFFAOYSA-N	238.199	4.597	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCC12CCCCC2	299952353	IFCYQDKWFZMQOJ-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)CCC1CCCC1	305911211	IJBCRCRNHMBJIJ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H]1CCC[C@@H](C)C1	310236269	KVJDWDXYFBFIKE-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CCCNC[C@](C)(CCC)CC1(C)CCCC1	310404487	NVJTVXZXTSDZSK-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)C[C@H](C)C1CCCCC1	310561499	JXQSPZLTNDEFQS-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC(=O)C(C)(C)c2ccccc2)CCC1	310940373	JLJXWTKPFUITKX-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC[C@]1(c2ccccc2C(C)C)CCCCCN1	311020606	CBVVPBFBHMPQGU-QGZVFWFLSA-N	245.410	4.579	0	10	BJAE	
CC(=O)c1ccc(-c2cc(C)ccc2Cl)cc1	313450224	VFCUPPWICKFSSX-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](C[C@H](C)CC(C)(C)C)NC	319605658	XUYPMAKRKACELA-AJNGGQMLSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Oc1ccc(C)c(C)c1	379883528	WDKISTRLDCMELE-GDBMZVCRSA-N	232.367	4.651	0	10	BJAE	
C[C@H](C[C@@H]1CCCCC[C@@H]1N)C1CCCCC1	380077543	DGMXTWHENPSXOA-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CC[C@@H](C)C1	383210964	ASDRFBKVHMZTEF-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H]1CCCC[C@H]1C	384519546	JNTBZGZYALFSND-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1[C@@H](O)CC1=CCCCC1	384568041	UINSTNJQHBFZMF-KRWDZBQOSA-N	244.378	4.563	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H](C)c1ccccc1	384890635	LLXXLCUMMILNQN-GJZGRUSLSA-N	246.394	4.966	0	10	BJAE	
COc1cc(C)ccc1N[C@@H](C)CCC(C)(C)C	385380584	SLPKGLFAUGYULR-ZDUSSCGKSA-N	249.398	4.630	0	10	BJAE	
CC1(C[C@@H](F)c2cccc3c2NCC3)CCCC1	385959689	OKUCPVZYSUXEPP-CQSZACIVSA-N	247.357	4.636	0	10	BJAE	
CCC[C@](O)(CC1(C)CCCC1)c1ccccc1	386327863	JOYOIGMLHUXVQE-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CCc1cc2ccsc2c(CC)c1CC	396201838	FNXHTMSQPXEJFT-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
Cc1cc2c(C(F)(F)F)ccc(C)c2s1	396204291	XAGAODUGQFLWTJ-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CSc1cc(C(F)F)c2sc(C)cc2c1	396398527	AFFPBMKFPCUNOS-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC[C@H](N[C@@H](C)CCC1CC1)c1ccc(C)cc1	398049157	VIFDALNEKXXSQS-YOEHRIQHSA-N	245.410	4.614	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@@H](C)C2CCC2)cc1	398747156	OZTLUPLPHBTPSK-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CCC1CCC1)NC	398940322	VVMAPKMORNZQLJ-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
NCC1(C[C@@H]2CC[C@@H]3C[C@H]3C2)CCCCCCC1	403574468	YKFOOLUEEMXWJO-BZUAXINKSA-N	249.442	4.502	0	10	BJAE	
C[C@](O)(CCC1CCCC1)CC1CCCCC1	689729527	VNLWVYGUNQXAAK-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1CCC(C)(C)C1	689750748	AQLBJNOLPZFHNS-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC23CCCC3)CC1	693795172	NMNILNFXPYOAOW-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)CC[C@@H](CNC)c1cccc(C)c1	696689241	WRYNBQONYQGWQY-INIZCTEOSA-N	247.426	4.514	0	10	BJAE	
CCC(C)(C)CCOc1cc(Cl)ccc1C	696799366	KZGZMEHHXLDKJY-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCCC[C@@H]1CNC	696807513	SCQQSLJUPAPADD-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1c(C)cccc1C	697775815	VQVYYWLNHMOHHE-INIZCTEOSA-N	245.410	4.700	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCCC(C)(C)CC1	701069413	QQZCEQKWLJADOD-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(N)CCCC23CCCC3)C1	704445887	GJWSBPAEJZNYAG-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C/C=C/[C@@H](NCCC)C1CCC(CCC)CC1	704584746	ZFWRYHWCUWGVMB-YDOWUGNXSA-N	237.431	4.537	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@H]1C[C@H]2CC[C@H]1C2	704907116	ZGOSDTQJJXODHR-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)C[C@H]1CCC[C@@H](C)C1	704930793	SVQCVSPBXOIMGP-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(CC)c(Cl)c1	709265677	OCTWYZBZWQGDHV-LBPRGKRZSA-N	239.790	4.893	0	10	BJAE	
C1CCC(CCCN[C@H]2CCCC3(CC3)C2)CC1	709979448	PTXDYLCYHOIYEK-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C12CCC(CC1)CC2	710232903	GBHUUJRTNZSACN-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C[C@@H](O)C[C@@H]1CC=CCC1)C(C)(C)C	711208972	AKSFHQZJMMPPNG-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CN[C@@H](c1ccccc1)[C@@H](C)CC(C)(C)C(C)C	713143836	XJAILLIKGOKEQV-GOEBONIOSA-N	247.426	4.656	0	10	BJAE	
C=C/C=C\CCc1cc([C@@H](C)CC)ccc1O	713679858	UBQITZJOVHEGEG-FWWRYZNZSA-N	230.351	4.581	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)c1ccc(C)s1	713697585	UTVAFWMAHYCKEE-UZYOAWRESA-N	249.423	4.620	0	10	BJAE	
CC/C=C/C[C@H](C)c1ccc(OCC)cc1	714557352	MISULNWABCLLMY-YBJDMEARSA-N	218.340	4.545	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC[C@@H]2C[C@@H]2C2CC2)CC1	714893677	HOLRANDVVQWODF-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCCC(C)(F)F)C[C@@H](C)CC	718686198	MYRAZCAJPCOUMY-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC[C@@](C)(CCC(C)=C(C)C)CNC(C)C	718753365	PUXYDQWGUMTMSM-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CN[C@H](C[C@@H]1CC1(C)C)c1ccc(C(C)C)cc1	722658179	JKNKIFAPILMKBF-HZPDHXFCSA-N	245.410	4.507	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1NC[C@H]1CCC=CCCC1	1184250551	FICCEKWSKKUXCH-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
C1=C(CCSCC2CCCC2)CCCC1	1559476921	JZPLKZALYXTCKC-UHFFFAOYSA-N	224.413	4.800	0	10	BJAE	
CCCC[C@H](N[C@H](C)CC1CCC1)C1CCC1	1621315158	BEGNCELONWEGLE-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNCC1CCCCCC1	1657966480	JSBLZDONLNPRLG-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCN(CCCCCC(C)C)Cc1ccccc1	1880413842	SHOAYIVHLSOYBE-UHFFFAOYSA-N	247.426	4.725	0	10	BJAE	
Cc1ccc(CC(C)(C)C)c2ccccc12	1901923673	ZHCLSQLSJFJEGF-UHFFFAOYSA-N	212.336	4.737	0	10	BJAE	
CCC[C@@H](N)CCCC[C@H]1CCC(C)(C)C1	1903427960	JMERVTRWWABDOF-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1CCC(C)(C)C1	1905304801	SNWRWWHNOKBMIC-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CCC(C)CC1	1905319439	IKHRXWDOPHOYQW-MOKVOYLWSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H](CC)CCC	1905364075	QVICIYUTONJNPZ-GJZGRUSLSA-N	227.436	4.891	0	10	BJAE	
CCCCC[C@@H](CCC=Cc1ccccc1)NC	1912062042	LBXNZJMRGDBPJU-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
CC=CC[C@H](CC)c1cccc(C)c1C	1912070168	ULFHUJVCXOLXTA-AWEZNQCLSA-N	202.341	4.763	0	10	BJAE	
CN[C@@H](CCCC1CC1)C1CC2(CCCCC2)C1	1912627340	XGQFWOBMOMMSJW-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
Fc1ccc(N[C@@H]2CCC3(CCCCC3)C2)cc1	1915871000	TXMAMKBVSRZUGG-OAHLLOKOSA-N	247.357	4.741	0	10	BJAE	
CCCNC[C@@]1(CC2(C)CCCCC2)C=CCC1	1916351584	UQJQVEGTSPCMQJ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@H](C)c1ccccc1	1919996269	CGWDAOQFRFJSNW-ZOBUZTSGSA-N	248.410	4.758	0	10	BJAE	
CCCCCCC1(CNC(C)C)CC(CC)C1	1921214381	XZZLCOAGVHLVPJ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)C1CCCCCC1	1924124092	HSYLYRZOWKRQCW-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@H](C)C1CCCC1	1924124122	HZJNKHGNSYDAPV-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)C1=CCCCCCC1	1924134166	AOGTUEJQXABNHE-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](CC)CCC[C@H]1C=CCCCC1	1925944631	FQWGRSFTJMHBAF-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)C[C@H]1C=CCCCC1	1925946199	QYRMOZFGCDHPIL-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(OCC(C)(C)C(C)C)c(Cl)c1	1936613579	PTYKUDKFJUXUGT-UHFFFAOYSA-N	240.774	4.709	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](CC)c1cccs1	1937268283	PJNOCHVTJDLHLX-CHWSQXEVSA-N	239.428	4.615	0	10	BJAE	
CCCSC[C@H](C)Nc1cccc(C2CC2)c1	1941168085	IKKJNSAYWWXOKF-LBPRGKRZSA-N	249.423	4.508	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@H](CC(C)C)C(C)C	1941267436	RRJMKIQUNVBNKE-HZPDHXFCSA-N	241.463	4.719	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CCCCCC1CC1	1941581487	LJMQOIMFWATXQB-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](C)C(=O)c1ccccc1	1942663618	UDNLFGXYUFDZQG-KBPBESRZSA-N	232.367	4.578	0	10	BJAE	
Cc1cc(N[C@@H]2CC(C)(C)CC3(CC3)C2)cs1	1943084012	UXDMCFJGPALVPI-CYBMUJFWSA-N	249.423	4.827	0	10	BJAE	
CCCC[C@H](C)NC[C@@]12CCCC[C@H]1CCC2	1944195467	RKQAQWHABCGYCU-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](F)(CNC)C(C)(C)C	1944394292	AFHDDEGCFQMZAN-UKRRQHHQSA-N	245.426	4.567	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](O)CCC1CCCC1	1944624153	WVGHEAIQMXSPDB-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC1(CCCC(=O)C(C)(C)C2CCCC2)CC1	1944632365	SKXSYWDBVOBRSC-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
Cc1cccc2cc(C[C@@H]3C=CCCC3)oc12	1947552935	SWQIQYJSCPHBBG-CYBMUJFWSA-N	226.319	4.640	0	10	BJAE	
Cc1cscc1N[C@@H]1C[C@H]2CCCC[C@]2(C)C1	1948586144	LYGQMGMTUUVBKH-UMVBOHGHSA-N	249.423	4.827	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C2=CCCCCCC2)C1	1948951422	DEDAMXMKCUVZEK-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(CC)C1(N)CC(C)(C)CC(C)(C)C1	1949087960	LBUYYTFLIDJHIP-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCC=CC[C@H](CC)c1cc(F)ccc1OC	1951308601	JRJIANJIEGHPPG-LBPRGKRZSA-N	236.330	4.684	0	10	BJAE	
CC(C)CC[C@H](C)N1CCC(C(C)(C)C)CC1	1962911614	BLFZSTZVFHVVAY-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
C1CCCC(CN[C@H]2C[C@@H]2C2CCCC2)CCC1	1966023613	UTRJIZOTXWVMOB-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(N[C@@H]2C[C@@H]2C2CCCC2)CC1	1966024054	YJYKEOLWDLWKCC-OKEQZYBDSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)C1CC2(CCC2)C1	1968361313	IYGUQSFDCMGQTQ-GFCCVEGCSA-N	247.357	4.515	0	10	BJAE	
CCC[C@@H](C)N(C)Cc1ccc(C(C)(C)C)cc1	1968854335	QTYNTQPOJUGPGX-CQSZACIVSA-N	247.426	4.605	0	10	BJAE	
CCC(C)(C)c1csc(CCC2CCC2)n1	1979419069	MBUNZDBUDCNVNB-UHFFFAOYSA-N	237.412	4.563	0	10	BJAE	
CCC[C@H](C)[C@H](O)C1(C)CCCCCCC1	1981415216	BFEAREZPVFTGKE-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](N)C[C@H]1CC[C@H](CCC)CC1	1989812708	SVLGOYPRAAOFOR-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@H](CC)NCCCC(C)(C)C	1990094508	WNSATKPJMLVBQP-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
C[C@@H](N[C@H](C)C(C)(C)C)C1CCC(C)(C)CC1	1996553367	PDHOEXAVHJFPQE-CHWSQXEVSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)C[C@@](C)(N)C1CCC(C)(C)CC1	1996593207	FZMKTTLATRFCNZ-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CC)CN[C@@]1(C)CCCC1(C)C	1997353047	RLBRNDXUUNYGBU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCC(C)C)CC1CCC=CCC1	2000258264	ZQDQKDPCTWCPHL-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2003014017	AKRVVZSUHKAKMZ-KNCOVGOOSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)[C@@H]1CCC[C@H](C)C1	2003021450	QLRAYJLIKDMNCW-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)[C@@H]1CCC[C@H](C)C1	2003023416	XISUJQGOHWCIMV-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](C2(O)CCCCCCCC2)C1	2003111366	KZFNXDMPPSMQFE-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C2(C)CCCCCCC2)C1	2004943615	DVJJRPLCDARINC-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Oc1ccc(C(C)(C)C)cc1	2006725055	DTIKHRUOZYQWOM-DOMZBBRYSA-N	232.367	4.552	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC(C)=C1C)c1cccs1	2006911780	DBYGQHZGDDSVOX-UONOGXRCSA-N	249.423	4.678	0	10	BJAE	
CC1(C)CC[C@H](N)[C@H](CC2CCCCC2)CC1	2009404475	NUUOTZCJNQCXRR-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@@H](N)c1ccccc1C(C)C	2009566529	FNWSZICBFCAQNG-MRXNPFEDSA-N	231.383	4.556	0	10	BJAE	
CC=CCCCC(C)(C)[C@H]1CC[C@@H](C)CC1=O	2009576196	JDLFJJVLHFXFPZ-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
C[C@H]1CC=C(CC(=O)c2ccccc2Cl)CC1	2010605633	NIJCZDAHEGUYLX-NSHDSACASA-N	248.753	4.659	0	10	BJAE	
C/C=C/CCCN[C@H](CC)CC1CCCCC1	2011433608	HRUHBUMIYYYFPE-LLCTXKFZSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CCC[C@H]1CC(=O)CC2(CCC2)C1	2012083368	HBHGHDZCHICWPO-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(C(F)(F)F)c(CC2CC=CC2)c1	2012470041	UXGSWOHIAANDOF-UHFFFAOYSA-N	240.268	4.523	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@](C)(O)C1(C)CCCC1	2014323429	BJJJBBICLIDYER-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H]1CCC1(C)C	2014850424	VPRSORYMNWZWBJ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(CCC1=C[C@@H](O)CCCC1)C(C)C	2015359266	CLVHSPZODJUAOS-HNNXBMFYSA-N	238.415	4.556	0	10	BJAE	
CC(C)C(C[C@]1(N)CCC[C@H](C)CC1)C(C)C	2015403286	ZEUSSMJFEUMYAV-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCCCN1CC1(CCC)CCC1	2015584754	QRRBTMJXJOLSOO-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CCCC1(C[C@H](NCC)C2CCCC2)CCC1	2015642463	QOSDWKVKAZIYQC-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](CC)NCC1CCC=CCC1	2018129585	DMXACWDZLYHXGA-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1CC[C@H](C)[C@H](C)C1	2018132903	YDUVLPIMZMGWRS-ZJIFWQFVSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@@H]2CCC(C)(C)CC[C@H]2O)CC1	2018974861	HYBXXTLWKWVOKU-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@H](C)c1ccccc1	2019108757	RNEDSCOAZDCTCZ-HUUCEWRRSA-N	233.399	4.504	0	10	BJAE	
CCCCC[C@](O)(CC)CCC[C@@H]1CC1(F)F	2019567870	APQWJUWGWWKQHK-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCC(C)(C)CNc1ccccc1C1CCC1	2021026943	KJLQBXFURWJYKG-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CC=CCCC[C@H]1CC(C)(C)C[C@@H]1NCCC	2023607658	BDWZWYBJXHDAKC-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)CCC2CCC2)C1	2024100758	FRXIQVQJFAAQPS-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)CCC1(F)CCC1)CC(C)(C)C	2025235784	GDMFVGWYGACONU-GFCCVEGCSA-N	242.378	4.690	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1C[C@H]1C(C)C	2026082052	ZDNJFFOZVWORHH-LZWOXQAQSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1ccc(C)cc1	2026148789	XGHFEJVNFGNKDB-CZUORRHYSA-N	234.383	4.635	0	10	BJAE	
CCCCc1ccc(N[C@@H]2C[C@H]3CCC[C@@H]32)cc1	2027319263	KVFJCLCKAOVEIC-HYVNUMGLSA-N	243.394	4.630	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1[C@@H](C)[C@H](C)CC[C@H]1C	2027792383	DHVFLZGUZCFJOL-LSSIXWDNSA-N	249.373	4.617	0	10	BJAE	
CCNC[C@@]1(CCC2CCCC2)CC=CC[C@H]1C	2027927243	VRGAAGBZHSKCIV-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
N[C@@H](CCC1CCCC1)c1cccc(C2CC2)c1	2028553422	ZEVLDKFPYBJAAW-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
C[C@H](C[C@H](O)C=Cc1ccccc1)CC(C)(C)C	2028586728	VMQWLSUMPFHXQN-GDBMZVCRSA-N	246.394	4.523	0	10	BJAE	
CC1(C[C@H](N)c2ccc(C3CC3)cc2)CCCC1	2029067336	GGYWPQMWGFATRO-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCN[C@H](C1=CCCCC1)C1C[C@H](C)C[C@@H](C)C1	2030241749	MERPSEFDMHZTIM-CKEIUWERSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](Cn2ccc3ccccc32)C1	2031800702	HHXMRGLYPDUEJM-FICVDOATSA-N	241.378	4.714	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC(C1CC1)C1CC1	2032164103	HMFHOPYVTMAZJA-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(CNC2C[C@H]3CCCC[C@@H]3C2)CC1	2034154565	BOQCDNLDGNJGPN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@@H]1CC12CCCC2	2036120391	ARKXPFARRNMTGT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@@H]2CCC[C@H](C)C2)c(C)c1	2037047311	BSROVSVLLAFMGG-MJEQTWJJSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CCC1=CCCCC1	2037167827	AKGWDDCVFKACNR-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(CNC(C)(C)C)C=CCC2)C1	2037694734	OKSQAYVEAJRNIZ-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CC2CC3(CCC3)C2)C1	2038090361	QWXYULHTBLPHLD-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C=CCCCC2)CC1	2039374201	KLEHXZWYFCABOS-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
C[C@@H](NC[C@@H]1CCCC(C)(C)CC1)c1ccoc1	2039374356	GULQKBDDSYOPFD-ZIAGYGMSSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC[C@@](CNC2CC2)(C2CCC2)CC1	2039374915	IMJRKNFEKRBHGD-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H](C)C1CCC(C)(C)CC1)c1ccoc1	2040648316	SNJFPMQZMLHLTQ-OLZOCXBDSA-N	249.398	4.535	0	10	BJAE	
CC[C@H](NC[C@@H]1C=CCC1)C1CCC(C)(C)CC1	2040682724	DSPROGWGZHBPIR-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(OC[C@H]2CCC=CCCC2)cc1	2045312796	QTLKBWILLJKPKO-INIZCTEOSA-N	244.378	4.764	0	10	BJAE	
CCCC1([C@@H](C[C@@H]2C=CCCC2)NCC)CCC1	2045797068	NMSZWTZHLJPPOX-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H]1CCCC[C@@H]1CC	2045807658	VDHZMQQUMGOMKI-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1CC(C(=O)C[C@@H]2CC23CCCCC3)C1	2047065155	KVOBCPQGYJYPGG-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1CC([C@@]2(N)CCC3(CCCC3)C2)C1	2048623701	JPZXPZFRPFKYGR-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)([C@@H]2[C@H]3CCCCC[C@H]32)CC1	2049225303	NLMFNKXNYVHHFT-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1([C@H](N)CC2CCC3(CC2)CC3)CCC1	2049844829	FCRXAFGDAWBJQP-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C[C@@H]1CCCC2(CC2)C1	2049851826	CKDKIRMLOYGENA-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C(C1CCC1)C1CCC1	2051405731	UIBNIYQUPNRVFD-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H]2[C@H]3CCC[C@H]32)CC1	2051593378	FLCBCNUHMKLUMU-FICVDOATSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1N1CCCC2(CCCC2)CC1	2051604442	LNXMDCOQJCAEDT-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)[C@H]1CCCCC12CC2	2053414572	ASWFQRJXXNABOZ-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1CC=CC1)[C@H]1CCC[C@@H](CC)CC1	2053667940	RYKLXAJOHKVESO-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(C(=O)C2(C)CCC(C)CC2)cc1	2056537425	WTWXILCLIUSYJW-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC=CCCC[C@@H](C[C@@H](C)c1ccccc1)NC	2059258916	KNSUYLLFPHQEME-WBVHZDCISA-N	245.410	4.515	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]21	2059261574	FSLMKHXQOCCWNK-UCCFHMQISA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NC)c1cccc(C2CC2)c1	2059266902	KEQMPRHTDTZREC-IDOMTICXSA-N	243.394	4.571	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@H](N)CC2CCCC2)CC1	2061092650	RHNSGZMXRRPTIO-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)C(C)(C)C2CCC2)CC1	2061147714	PTLOWYJIOXNKIM-CZUORRHYSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@@H](NCCC)C1(C)CCCCCC1	2061561435	ROHJLCIBTZKHBA-MRXNPFEDSA-N	249.442	4.836	0	10	BJAE	
C=C=CCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1NCCC	2061561681	UQNFDGZVEWFDDV-ZACQAIPSSA-N	249.442	4.548	0	10	BJAE	
CCN[C@@H](C1CC(=C2CC2)C1)[C@H](C)CCC(C)C	2061647262	OOOHTDRLNFVRGB-CXAGYDPISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)[C@@]1(C)CC=CCC1	2062640376	CHCAOCZHIWTOIK-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCCCC1CC1)C1C[C@@H]2CCC[C@H]2C1	2063404109	BEBHNEFKZKFFIY-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
C[C@H](N[C@@H]1CCCCCC12CC2)[C@@H]1CCC1(C)C	2068349468	VUNDBPAPSRWFGY-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC[C@@H](C)C(C)C)c1ccc(C)cc1	2069014669	BGIISEZMSSTZDG-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CCCC1(C[C@@H](NCC)C2(C3CC3)CC2)CCC1	2069335175	LTDURWSEKUTCDC-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@]2(CNCC)CC=CCC2)CCC1	2069339680	LYFCJLFOJJGRSI-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C2(CC3CC3)CCC2)C1	2069504258	XPPMAEKVGROPKL-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C2(CC3CCC3)CC2)C1	2069581224	PYIXWPDVKFSSSQ-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2070310367	SKJJEAPPRVYPMO-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCC1CC2(CCC2)C1	2070397232	GWENKAZSRRSNJD-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@H]1CC2CCC1CC2	2070398914	OFZRAOVGECLVIR-RDHHWEPZSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CC2(C(C)C)CCC2)C1	2071937787	FQGCXAJGOJKLBO-CWRNSKLLSA-N	249.442	4.523	0	10	BJAE	
CCc1cccc(NCC2(C(C)(C)C)CCC2)c1	2071950446	OHLFMEXXNGMFKK-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CC1(C)CC(CC(=O)[C@@H]2C[C@H]2C2CCCCC2)C1	2079483703	GFVDYAJKTLTEPE-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CCCCC1(NC[C@H]2C[C@@H]2C2CCCCC2)CC1	2079650536	KTBWFUFCIHMJBF-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1C[C@@H]1C[C@H](N)c1ccc(C(C)C)cc1	2079884413	HOTSUOHOKLYZPD-BBWFWOEESA-N	245.410	4.636	0	10	BJAE	
O[C@]1(C=C2CCCCC2)CCC[C@H]2CCCC[C@@H]21	2081135544	CSNXSFUTBBCNII-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@]1(CC=C1CCC1)CNC(C)(C)C	2081682429	VYCVYIJLSVPEGC-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC(=C1CCC(C(C)(C)C)CC1)[C@@H]1CC[C@H](N)C1	2082174185	TVTHYIHBNWSHTI-TUOGLVOQSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1ccccc1CC	2086053612	MHUNVHMDQAYZJC-WMLDXEAASA-N	247.426	4.855	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@]1(C)CC=C(C)CC1	2211857473	SBLWRTOWYBZFFH-HIFRSBDPSA-N	222.372	4.518	0	10	BJAE	
CC[C@H](CCCCCCCC1CC1)[C@H](C)N	2212462454	NARLINPWFFCFJM-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1N[C@@H]1CCCC1(C)C	2213114420	SKRRQFRGABGONG-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CNCCCCCCC1CC1)C(C)(C)C	2213571990	PVLQMTBWRYYVAX-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
Clc1ccccc1CCC=Cc1ccccc1	2213824899	MFFSGDXMFLJLJY-UHFFFAOYSA-N	242.749	4.986	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC1(O)CCCCCCCC1	2215253258	RKNUMQNCXNQQDW-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216744213	IRSJEEVBVFKPFN-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)(C)CC)C(C)(C)C	2217126581	BAAHSLFQLFAMHO-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)NCC1([C@H](C)CC)CCCCCC1	2217136147	HYYBOBVZDCYPSI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
Clc1cc2ccccc2c(CC2CCCC2)n1	2217446852	PGKKTDDGIOAULX-UHFFFAOYSA-N	245.753	4.621	0	10	BJAE	
CCNCCC=C(C)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218361785	QKLPXKVGNXXMEJ-FVQHAEBGSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C)c1ccc(CCC(C)(C)C)cc1	2218533205	BPVVZHPFRABGAX-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
O=C1C[C@H]2CC[C@@H](C2)[C@H]1CCCCCCC1CC1	2218723889	HPRAUJLAFXVELB-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C/C=C/c1ccccc1	2219082870	AFYGEQLJUWKPLO-DCBYGEANSA-N	245.410	4.634	0	10	BJAE	
CN[C@H](C/C=C/c1ccccc1)CCCC(C)C	2219088278	PHTIFQDTHDPUBH-UEICXMAYSA-N	245.410	4.504	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)C1(C)CCC2(CC2)CC1	2220958469	IWBGTWFIKVTKGP-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@@]2(N)CCC=CCCC2)CC2(CCC2)C1	2221042682	ZCBRHGWVKDNDEG-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@]1(C)CC=C(C)CC1	2221621029	CICZVFXHSFGNAA-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1	2221643286	MRIUWMCLXSNMCB-MPTYRVRUSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)c1ccc2occc2c1	2224177908	KCXDKOMXJRXFBP-DOMZBBRYSA-N	245.366	4.520	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CCC1CCCCC1	2244787004	YOFDUMYTOKCQKD-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](C)[C@H](CC)CC[C@@H]1CCC[C@H](C)C1	2246727653	NVNJGOQVKZRPNA-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](O)(CC)CC1CC2(CCCC2)C1	2246780311	IOKATQSSSCBXBR-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@@H](N)C1CCCCC1	2247112777	MGEQNOBYNRXBRF-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@@H]1CCC1(C)C	2247314124	ZRKIQKZMMHLUQW-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@H]1CCC12CCC2	2247415675	GMKLUGSFWUABHQ-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CCCC12CC2)NCC	2247621555	ZQQLYUSXWYKYFB-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC(=O)CCCCC[C@@H]1C[C@@H]1C	2248858342	QJVBEECYPOAYPN-DZGCQCFKSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccccc1C1CC1	2250352155	JUKCRIRUYFBPHH-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)C1CC(C)C1	2250517675	DZHQBKOWDIJYGP-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNCCC1(C)CC1	2250530420	UIDSCJFYOYWWQT-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCC[C@H]1C(=O)C(C)(C)CCC1(C)C	2251706296	CEIHSBJCNNTFIW-ZDUSSCGKSA-N	236.399	4.764	0	10	BJAE	
CC1([C@@](C)(N)CC[C@@H]2CCCCC23CC3)CCC1	2253837204	DHKVBVXODOHTHR-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC[C@H]1CCCCC12CC2)[C@H]1CCCCN1	2253886792	OWFGNJFSDWYZCM-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C(CC[C@@H]1CCCCC12CC2)CC1CCNCC1	2253888158	CVWSDJFCARRTMF-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)CC1CC2(CCCC2)C1	2254105074	FTDZPUPALHXZKR-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC(C(=O)CC2CC3(CCCC3)C2)C1	2254119603	MBOXGLLDWOUUSR-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1CC2(CC(C)C2)C1	2254488998	TYGZEABMLJSFDQ-ONNPGMOUSA-N	249.442	4.537	0	10	BJAE	
CC(C)CNC[C@@]1(CC2=CCCCC2)CC1(C)C	2255134740	WYDCBKMKQSLRAN-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C[C@H]2CCCC23CC3)C1	2255325229	FLWCAANERUXJCB-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCCC12CCC2	2256144614	OXQKOWOSXCRATO-CQSZACIVSA-N	247.357	4.523	0	10	BJAE	
CC(=O)c1ccn(CC[C@@H](C)CCCC(C)C)c1	2259636517	RFYMVHCVOLZDOI-AWEZNQCLSA-N	249.398	4.543	0	10	BJAE	
Cc1cccc(NCC[C@@H](C)CCCC(C)C)n1	2259680637	FQRBZVOWSTWVNG-AWEZNQCLSA-N	248.414	4.654	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@]12CCC[C@@H]1CC2	2260509363	UXLSAIVCOXDWRZ-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@]12CCCC[C@H]1CC2	2260529194	ZLMQJENCRWJVTK-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1NC[C@]12CCC[C@H]1CC2	2260574326	MJYFHUHGXNPHQO-WMLDXEAASA-N	243.394	4.802	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2298721122	QBZJYAVXRDFBDY-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CC1)C1(O)CCCCCCCCC1	2298847811	HAJSDAQBCYYDGF-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@H]1C=CCCCC1	2300496012	FBWLEWUZFHZUPK-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CCCC[C@H]1CC	2300680815	IEPUFEPDEJPCNK-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@H](NC)C(C)(C)C1CCC1	2300684237	RSEDKJMECRTYHJ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
Clc1ccc(C2CC2)cc1NC1CC2(CC2)C1	2300693170	PVRSHZLFQBEPML-UHFFFAOYSA-N	247.769	4.572	0	10	BJAE	
CCC(CC)CCC1(N)CC(C2CCCC2)C1	2300699510	HDKYOHBWXATJGF-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@]1(CCC(CC)CC)CC[C@@H](C)C1	2300703394	FPUGWDHGGPLWOU-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC=CC[C@@H](N)[C@H]1CC[C@H](CCCCC)CC1	2300900570	ZEXHWXJQDPFLFB-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CC[C@]1(O)CCC2(CCCCC2)C1	2300906013	CSLIXKGJFWRKNF-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC1(C(=O)CC2CCCCCC2)CC1	2301137243	GSPHAJZXHFMERG-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC1CCCCCC1)C[C@H]1CCCCN1	2301238681	JEJLCLHXNNBGDR-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N[C@@H](C)C1CCCCCC1	2301829166	NMRAPYKNQLTTCT-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H]1CCC(C)(C)CCC1=O	2301836076	KDFJKCKTSMNILI-BFHYXJOUSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H](C)[C@@H](C)C(C)C)C1	2301844302	PGLNBWLLTCXTTP-YJNKXOJESA-N	238.415	4.700	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCCC1(N)CCCCC1	2302565303	DKMSLYDIBUOUIO-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](O)C2(C)CCCCC2)C1	2302711489	ZIEQJDURXCRNGV-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCCC(C)C)C[C@@H]1CCC(C)(C)C1	2302712355	FIWBDUHGKFEFAZ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(=CCCNC(C)C)C[C@H]1CCC(C)(C)C1	2302761359	QXQIQYDSNPNMAC-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)[C@@H]1CC[C@H]1C(C)(C)C	2303405909	LKIROJLJJNFVIM-RBSFLKMASA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CC[C@H]1C(C)(C)C)NC	2303472353	PQXDWQFNRGOXJB-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)c2cscc2C)CC1	2303577202	GULGVXSVUNFQPP-ZDUSSCGKSA-N	248.391	4.766	0	10	BJAE	
CCC(C)(C)CC(=O)CC[C@H]1CCC(C)(C)C1	2304438620	XJBFWPVFZHSDNM-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCC[C@H](N)C2)C1	2304446289	HFZLCFHXRQPLQG-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@H]1c1csc(C2CCC(C)(C)CC2)n1	2307686697	FTKXQVFSGFMBIS-CMPLNLGQSA-N	249.423	4.950	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCCC[C@@H]1CC	2307827020	TUFPKJWWFRWFOB-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1C[C@@H]2CCC[C@@H]21	2308385488	IIIYTVLVGZGDLL-LUKYLMHMSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1C[C@@H]2CC[C@H]1C2	2308574361	MHQGLVNGDKPEED-DVOMOZLQSA-N	243.394	4.585	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@@]12CCCC[C@@H]1C2	2311128481	MOKMAPCERCFGGU-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2313661423	WFYRQPOMVNSDBG-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](CNC)c1ccccc1C	2316241423	TYZVGEQDSAUQJX-INIZCTEOSA-N	247.426	4.514	0	10	BJAE	
CC(=CCN1CC[C@@H]2CC[C@H]1C2)CCCC(C)C	2316515957	ZBJRPHQPWJWXNF-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@@H]2CC[C@@H]21	2317926870	FZVRWRJUPSBTHF-TUKIKUTGSA-N	247.357	4.550	0	10	BJAE	
CN[C@@H]1[C@@H](C)CCC[C@@H]1CCCC1=CCCCC1	2318540472	QDMKSKYSUZRFET-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CCCC2=CCCCC2)[C@H](C)C1	2318548512	MRSSAFCXQGGXGG-LZWOXQAQSA-N	248.410	4.908	0	10	BJAE	
CC1CC([C@@H](C)N(C)CCCC2=CCCCC2)C1	2318588725	JFEKNNLUYUIAQN-ISXOHVOVSA-N	249.442	4.633	0	10	BJAE	
O=C(CCCCC1CC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2318879282	QCQSMDNVPLSIKC-FVQHAEBGSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C[C@H]2CC[C@H]2C2CC2)C1	2319578848	MLEPKVFSKHSBDC-XPKDYRNWSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C(=O)CC[C@H]1CC[C@@H]1C1CC1)C1CCCC1	2319684075	XFCXUUOSYPBQAF-APHBMKBZSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@H]2CCC[C@H](C)C2)CC1	2320335674	WTLJXFNTJFCTTN-DXEWXGHRSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H]2CCC(C)=C(C)C2)C1	2320415825	DSTYXDWDHRZAKX-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@@H]2CC=CCC2)c1	2320513489	BCBUXCQWSNOSEK-RHSMWYFYSA-N	243.394	4.556	0	10	BJAE	
CCN[C@H](C)c1ccc(C)c(C2CC(C)(C)C2)c1	2321015667	HMHFMHYGAMPAJQ-CYBMUJFWSA-N	245.410	4.569	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@H]2CCC23CCCC3)C1	2321612421	AYHOZLQWUASDRD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@@H]2CCC[C@@H]2C)c1	2327702937	BGUFPRCPYQSVIU-LXZKKBNFSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccc(N)cc2F)c1	2327795025	PCBAIASLFLSTER-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CCCCCC[C@@H](C)NC1CCC(C)CC1	20306086	CKTXWCCRYLWFBL-SHARSMKWSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCCc2ccccc21	21018367	DDCXFVBFYFCFPZ-PBHICJAKSA-N	245.410	4.622	0	10	BJAE	
Cc1ccc(-c2ccc(C(=O)C(C)C)s2)cc1	36927380	MAHQHVLCYNAIHZ-UHFFFAOYSA-N	244.359	4.562	0	10	BJAE	
CC[C@@H](C)CN[C@H](CC(C)(C)C)c1ccccc1	37128434	UCFRMRPNVMBEBF-GDBMZVCRSA-N	247.426	4.800	0	10	BJAE	
Clc1cccc(/C=C/c2ccccc2)c1	67738770	LLSLQJAZJCNYQW-MDZDMXLPSA-N	214.695	4.510	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1O	82438352	ZFFYLOJEOBZPAH-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
Cc1cccc(C)c1Nc1ccc(F)c(Cl)c1	82715946	FQIHMLFZTVKPPI-UHFFFAOYSA-N	249.716	4.840	0	10	BJAE	
CCC[C@H](C)COc1cccc2ccccc12	85152107	UNHAWHBFAIXGLR-ZDUSSCGKSA-N	228.335	4.655	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC[C@H](C)CC1	86887882	YEENCRXORQXHGG-BBRMVZONSA-N	245.410	4.938	0	10	BJAE	
Cc1cc(C)c2cc(C(=O)C(C)(C)C)oc2c1C	88071702	MJXQGZKAKJHXGD-UHFFFAOYSA-N	244.334	4.587	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC2(C)C)c(C)c1	94273376	NDZNNSBDEZWESP-OAHLLOKOSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@@H](CC)CC1(CNCC(C)C)CC1	97148171	XBEYIZIVJQWCJG-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@]1(N)CCCC[C@@H]1C1CCCCC1	103944481	OQLPLARWBWFJTA-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CC(C)c1cccc(-c2ccc(Cl)nc2)c1	117274025	XIXINSDQUXUWJQ-UHFFFAOYSA-N	231.726	4.525	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1(CC)CCCC1	124991557	JFVHFQBJPLAKOC-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)Cc1c(Cl)cccc1Cl	141415065	HGNBDOSAQMDHJR-UHFFFAOYSA-N	217.139	4.582	0	10	BJAE	
CCCC[C@H]1CCCCC[C@H]1CNC(C)(C)C	155856707	FVFWPGSUJFFNQP-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)c(-c2cc(Cl)ccc2O)c(C)c1	156868166	GAHKPGGBIZGGOB-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CCC(CC)c1cc(Cl)cc(Cl)c1	205061451	KFUDNBIFOXEHEU-UHFFFAOYSA-N	217.139	4.897	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCC[C@H](C2CC2)C1	224935975	WBKHKYQQEPZKKF-KBPBESRZSA-N	247.357	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C2CCCCCCC2)C1	227038920	ANYVACXMCDTGLT-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C=C(C)C)CCC1CCCCC1	229744326	XJGOVLSLLLVNIK-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C[C@@H](C)CC(C)(C)C	229746074	GJGIGLFNQGXMJQ-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCCCC[C@H](C)[C@@H]1CNc2ccc(C)cc21	232978146	TXXQLIQOIGPMHC-ZFWWWQNUSA-N	231.383	4.721	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1CCCC(C)(C)C1	252184408	QOWIPIHIMUDCPT-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CC(C)n1cc([C@H](C)C#N)c2ccc(Cl)cc21	260023813	MQESEHPSCBKPDW-SNVBAGLBSA-N	246.741	4.503	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)c1sccc1C	300887552	HBIAFWKHZARXDK-AAEUAGOBSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CCCC(C)(C)C)NCCC	300944530	WNMCOPAKLBJNQF-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCCCc1ccc([C@@H](N)CCC(C)(C)C)cc1	302401013	QNRWGCRSKXBOPG-INIZCTEOSA-N	247.426	4.855	0	10	BJAE	
C[C@@H](CNc1cc(F)ccc1Cl)C(C)(C)C	304331334	UJKISVHADPIWJK-VIFPVBQESA-N	243.753	4.573	0	10	BJAE	
CCc1cc(NC2CCC(CC)CC2)ccc1C	306023189	OIDCXLCPNZDCEA-UHFFFAOYSA-N	245.410	4.938	0	10	BJAE	
CSc1cc(Cl)cc2c(Cl)csc12	306771728	GSBVPHASBZBJOH-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC1=CCCCC1	310061375	JNTDTXAKFLTHMI-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCC1CCC(C2(CNC3CC3)CCCC2)CC1	317694194	ZYKNUWAPPFHKTD-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@](CNC(C)(C)C)([C@@H]2C=CCCC2)C1	317766221	BXXNWIGWXKUVOF-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@@]1(CNC(C)C)CC[C@H](C)C1	318136527	XYASKTWWLSEMNH-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1csc2ccccc12	318909823	SGNVOSIMMTWYLG-PGUXBMHVSA-N	248.391	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](n2ccc3cc(F)ccc32)C1	379624574	DIWWSICQAZLRTH-SMDDNHRTSA-N	231.314	4.532	0	10	BJAE	
C[C@@H]1CC[C@H](n2ccc3cc(F)ccc32)C[C@H]1C	379970326	MCZFDZIPRYBHEX-JMSVASOKSA-N	245.341	4.778	0	10	BJAE	
CCC1CCC(O)(CC2CCC(C)CC2)CC1	379978958	OYEGLWDRIIAYKG-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)C[C@H](C)C1CCCCC1	380036287	QNXUVADRRIKJPN-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CNCC(C)(C)C(C)(C)C	380164999	VVLFTDHPJDEVBD-AWEZNQCLSA-N	241.463	4.865	0	10	BJAE	
c1ccc(-c2ccccc2N[C@H]2CC[C@H]3C[C@H]32)cc1	381088998	YGCQVMMXOCHLSA-LESCRADOSA-N	249.357	4.564	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCC[C@H](O)C1	383181306	UYLIOJIVDPKFRU-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C1CCCCCC1	394763438	OJEKQIMSKIHRFY-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCOc1ccc2sc(CC)cc2c1Cl	396196058	XBHGRCKSJXNNHV-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CC(C)=CCCNC1CCC(C(C)(C)C)CC1	397688736	YKVBZQHVGADCLJ-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
C[C@H]([C@H](N)c1cccc(C2CCC2)c1)C(C)(C)C	399051396	IEJBMGVDPKYNRC-WBMJQRKESA-N	245.410	4.636	0	10	BJAE	
Fc1ccc(Cl)cc1CCC1=CCCC1	401174448	XHOQPWZRFAQBOB-UHFFFAOYSA-N	224.706	4.522	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1ccc(C)c(F)c1	401830268	MELJKXOXVFPCTK-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
CCCc1cccc(-c2cc(C)cc(O)c2C)c1	686553814	REAPXOYLOQINPC-UHFFFAOYSA-N	240.346	4.629	0	10	BJAE	
CCCN[C@H](CCCC(F)F)CC(C)(C)CC	688860719	XLONUVUTHUITBA-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc2sccc2c1	691843563	WZMGYDWNMXOVKA-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
c1ccc(NCc2cc3cscc3s2)cc1	694346617	DGMGSVXECLARCN-UHFFFAOYSA-N	245.372	4.575	0	10	BJAE	
CC[C@@H](N[C@@H](C)C(C)(C)CC)c1ccccc1	695136377	QLLMXXBLTIPUNR-DZGCQCFKSA-N	233.399	4.552	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@H]2C2CC2)c(F)c1	696102263	CMTAFWPAALEVAX-DZGCQCFKSA-N	247.357	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1ccc(C)cc1C	696573330	PAAVNDDSEPONNX-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C(CC)(CC)CC	696702072	BMIFRZBIDZTQAK-CYBMUJFWSA-N	228.420	4.780	0	10	BJAE	
CCC(C)(C)C/C=C1\CCC[C@@H]1[C@@H]1CCCCN1	696800843	FDAKKVRRGQFTRO-SROTWBRCSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@]1(C)CC[C@@H](C)C1(C)C	697825658	HGBZRPOKYLTCOE-YCPHGPKFSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](NCC)[C@@]1(C)CC[C@@H](C)C1(C)C	699118605	YZSDCRINWOFBHQ-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C(=O)c1cc2sccc2s1	701335594	BEQHSAKWETUOKM-UHFFFAOYSA-N	238.377	4.582	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(N)CCCC(C)(C)C)c1	704508693	PGHHIKIGHMMUDA-KRWDZBQOSA-N	247.426	4.694	0	10	BJAE	
CCCCC[C@@H](C)Nc1nsc2ccccc12	706136091	LKIVGAVKEZNGPR-LLVKDONJSA-N	248.395	4.677	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1CCCC12CC2	706216612	QEQOTDRVBINHDE-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)[C@@]12CCCC[C@H]1C2	708874018	CKEMHXOFVHGICY-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CNc1ccccc1Cl)CC(C)(C)C	709074260	HXKBCJSRFBBGLQ-NSHDSACASA-N	239.790	4.824	0	10	BJAE	
C[C@H](C/C=C\CCNC(C)(C)C)CC(C)(C)C	709077305	ABJPCWWVPPZODU-QIAWRQBBSA-N	239.447	4.783	0	10	BJAE	
CCCCCCN[C@@H]1CCCCC[C@H]1C(C)C	709215766	HDHNSGZOPPTUAD-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C[C@@H](O)CC1=CCCCC1)CC(C)(C)C	709243308	LWFBJHOYGPXCFM-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
Cc1cc(C)cc([C@](C)(O)C[C@@H](C)C(C)(C)C)c1	710800229	OYNXTTIJTCIXCK-RHSMWYFYSA-N	248.410	4.583	0	10	BJAE	
CCC[C@@](N)(C[C@@H](C)C(C)(C)C)C(C)(C)C	710815412	WVEDAVJINCTSQY-IUODEOHRSA-N	227.436	4.602	0	10	BJAE	
CN[C@@H](CC(C)(C)C(C)C)C(C(C)C)C(C)C	713270604	CYNNZDLCRNQCPS-AWEZNQCLSA-N	241.463	4.575	0	10	BJAE	
CC(C)C(C)(C)CC(=O)CC1=CCCCC1	713314598	MYPFFOGGJOCMKP-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
N[C@@H](CCC1CCCCC1)CC[C@@H]1C[C@H]1C1CC1	714808534	LRYJHKABJUIFHD-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@@H]1C[C@@H]1C1CC1)CC1CCCCCC1	714899588	YKNNUAYDMHWBTM-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCCCCC1(C)C	719241164	VHHPPNFRYLEQJD-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
C[C@@H](N[C@H]1CCCCCC1(C)C)c1ccccc1	719255227	RIDBDDJWGJZFTI-ZBFHGGJFSA-N	245.410	4.696	0	10	BJAE	
CC1(C)CC[C@H](N[C@H]2CCCCCC2(C)C)C1	719290632	XMSBSXPRPTVLEP-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@H]2CCC=CCCC2)C1	1179764472	WDFRAZNHFPZMPG-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@H](C)NC1C[C@H](C)C[C@@H](C)C1	1205890915	YIFUHSXEHJOQJL-KFWWJZLASA-N	237.431	4.536	0	10	BJAE	
CCC(CC)CC[C@@H](N)C[C@@H](C)C(C)(C)C	1900695102	FEFKEBFDNFMBFM-TZMCWYRMSA-N	227.436	4.602	0	10	BJAE	
Cc1cc(-c2cccc(C(F)F)c2F)cs1	1901897519	XLKBWSXAKUEUKZ-UHFFFAOYSA-N	242.265	4.800	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccc(CC)s1	1905450782	QQUAWTULRPXCOM-WCQYABFASA-N	239.428	4.527	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C1CCC(C)(C)CC1	1908591762	MCJHGBLVQQICAH-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC(=CCCNC1CC1)C[C@H](C)CC(C)(C)C	1912049657	ODDBSOSBARSIPK-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(NC2CC3(CCCCC3)C2)cc1F	1912710006	DMZXFXPUDDMGCZ-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CC(C)(C)NC[C@]1(CC2CCCCC2)C=CCC1	1916338076	SYJNMIGOTBJVQU-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
Clc1ccccc1N[C@@H]1CCC2(CCCC2)C1	1916424019	PCDMOJKRGIUVNP-GFCCVEGCSA-N	249.785	4.865	0	10	BJAE	
CCCc1ccc([C@@](C)(N)C[C@@H](C)CCC)cc1	1920481616	KJBDYDOFGSYDMH-YOEHRIQHSA-N	247.426	4.639	0	10	BJAE	
CCC1CC([C@H](NC)c2ccc(C(C)C)cc2)C1	1921203788	MOSKNACCLCUVPU-QWFMPGPPSA-N	245.410	4.507	0	10	BJAE	
CNC[C@@]1(CCC2CCCC2)CCCC12CCC2	1921626854	GTMDNAQIKRFFKV-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(C)c(C[C@@H]2C=CCCCC2)c1	1925818337	ABEHQHKXICKESH-OAHLLOKOSA-N	214.352	4.592	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)CC(C)(C)C1CC1	1925923596	NWGKFPHLKDQHBT-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC(CC[C@H]2C=CCC2)C[C@H](C)C1	1932596362	RZWUDRZMJTVLDJ-MCIONIFRSA-N	206.373	4.805	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2C=CCCC2)C1	1932603755	HTLMGMHQGVSQNK-KFWWJZLASA-N	206.373	4.949	0	10	BJAE	
Cc1cc(C(=O)[C@@H](C)CCC(C)C)sc1C	1937170025	SZFBIXZUTIYPAY-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H](C)C2CC2)CC1	1940725066	XKRQHYXDUOHQQL-VQCLRJIVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CCC[C@@H]1CC1(C)C	1940873869	CRHJHXGSASVKOF-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(C)cc(OCCCCCC2CC2)c1	1941590760	FGOCFOKURIIIES-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
O[C@H](CCCC1CC1)c1cccc2sccc12	1945957439	HSHOAIOCZBEBNC-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC(C)CCC[C@]1(O)C[C@H]2CCCC[C@@]2(C)C1	1948596459	PNWZHCXBAFBZHZ-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H](C[C@H](N)C2CCCCCC2)C1	1948921585	YPHKZIRLRIEXJB-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1(C(C)C)CCC1	1948933374	WGZBKDMROCXAMJ-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)C[C@@H]1C=CCCCC1	1949124742	JXBIWIOWSSYDRJ-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)[C@@H]1CCC(C)(C)C1	1949550513	DMYPTOZPWLFUQU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)CC1CCCC1	1949864664	PYVMBNNWGMTLCX-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCCC(F)(F)CC1	1949889699	KEICWGJUVXBZPC-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCC=C[C@H](C)Cc1ccc(OCC)cc1CC	1951305520	NIWRLRNQLGLBCE-AWEZNQCLSA-N	246.394	4.793	0	10	BJAE	
CC[C@@H](Nc1cccc(F)c1)C1CCCCC1	1968262529	MAJWDYRJMFYSKF-OAHLLOKOSA-N	235.346	4.597	0	10	BJAE	
CC[C@H]1CCC[C@H](NC(CC2CC2)CC2CC2)C1	1970282715	XHBIWUCEHVJIAN-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(NC(C2CCC2)C2CCC2)C1	1972235546	SEFYKWWNFDLLFE-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CCCC(C)C	1978423078	KOBACMLBMXIYEL-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)(CCC=C(C)C)CNC(C)C	1978640691	YYAWYZRZRFGWLV-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](CCC(C)(C)CC)C1	1982567912	UTQBEGMLFGANCU-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC=CCCC[C@@H](NCCC)c1cccs1	1984612548	OAMXTLOOFCPUOV-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1)C1(C)CCCC1	1987600145	YCNDGQDGTICTGJ-NSHDSACASA-N	237.774	4.721	0	10	BJAE	
CC[C@@H](CNc1ccc(Cl)cc1C)C(C)C	1988766441	CIHWENRZQJBBBE-LBPRGKRZSA-N	239.790	4.743	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](C)CCC=C(C)C	1988794935	OCQSGHWZJUJZQY-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@@]1(CC)CCN[C@H]1CCCC	1990094394	VRJWVJOWMQBUSD-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@H](C)CC(C)(C)C	1990893913	QDVKOUVUMANTDY-ZIAGYGMSSA-N	227.436	4.568	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC1CCCC1	1995253528	INBCYJNPMVLQAD-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]1c1nc(C2CCCC2)cs1	1995497066	VSMIXQMITXQDRK-PWSUYJOCSA-N	235.396	4.704	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H]1C=CCCC1)NCC	1996603679	WGAKXTSVFSXMHM-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCCC2(CCC2)C1	1997040939	XSFZVBNGPXABBZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)NC[C@H]1CCC[C@@H](CC)CC1	1997098960	ABJGLJMVNNLCRS-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC)CCC1CC(C(C)(C)C)C1	1998234924	OQAGPVHGKQEXNJ-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
Clc1ccc(NC[C@@H]2CCC=CCCC2)cc1	1999996351	NXTAZRAMXFMYNA-CYBMUJFWSA-N	249.785	4.888	0	10	BJAE	
CC1(C)CCC[C@@H](C2(O)CCCCCCC2)C1	2000034460	TZAKSRWTQCDNRW-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](C[C@H]1C[C@@H]1CC)C(CC)(CC)CC	2000375270	ALAILPDZIZNHFW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C1(CCC)CCC1	2000387571	LQJUGVAAMQNYOB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](CC)(CN)C1CC(C(C)(C)C)C1	2002336727	TXUCRNJZHQQVDD-XUJLQICISA-N	239.447	4.604	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](O)CCCC2CCC2)C1	2002978732	KYXPQYYDXDNBCD-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@]1(CNCC)CCCC(C)(C)C1	2002991019	OIHBWTOOHCHVES-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCCCC1CCC(CN[C@H](C)CC)CC1	2003108877	PVPBHGQTDPYKAD-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1[C@H](O)CCCCC(C)(C)C	2003628154	UIAJXXOTLMYOLO-OAHLLOKOSA-N	234.383	4.635	0	10	BJAE	
CC[C@@H]1[C@H](CCCCCC(C)C)CC[C@H]1NC	2009249724	RXDKSQPFBKGDBQ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2CCC(C)(C)CCC2=O)C1	2009410699	LDQHITZLCYBUMN-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1(C)CC(C)(C)C1	2009619946	PVBOXTSXFONTDJ-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCC(CC)(CC)CNCC(C)C	2009628040	LUUGLIAACNFTJV-RMKNXTFCSA-N	239.447	4.785	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](CC)CC1)C(C)(C)C	2010711778	DARQYFMUGDNYEZ-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@H](O)C1=CCC(C)(C)CC1	2010725590	JONSZFYAFSXRCK-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)[C@](C)(N)C1=CC[C@@H](C(C)(C)C)CC1	2010730082	UWTQTULYINMIDX-ZENOOKHLSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(CC)CN(C)CCC[C@H]1CC1(C)C	2011177980	OOAVZAMJCDAKCS-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCCNC[C@](CC)(CC1=CCCC1)C(C)C	2012411522	KHFROVDYFGYRCO-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC12CCC(CC1)CC2	2012826269	ZQIYWOZZYAVQON-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(CCC[C@H]1CC1(C)C)CCC(C)C	2013269836	CCKPJSMDFKTESX-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C[C@H]1CC[C@@H](C)C1	2013307076	RWWPZWZPRFZXAY-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
CC(C)C(CC[C@H](O)CCC(C)(C)C)C(C)C	2015338978	MMEYQTPYDFGITE-AWEZNQCLSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(CCC(=O)C(C)(C)C(F)F)C(C)C	2015394299	MSTIQRHGQIQQPX-UHFFFAOYSA-N	248.357	4.555	0	10	BJAE	
CC(C)NC[C@H](C)[C@@H](C)CC(C(C)C)C(C)C	2015411440	ZUXTYLQJFRHUOO-GJZGRUSLSA-N	241.463	4.575	0	10	BJAE	
CCCC1(C[C@@H](O)CC2=CCCCC2)CCC1	2015646112	WWYCAZSDHSOPOT-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C1(CC2CC2)CC1	2015754251	BRNSMWOAWBSXOZ-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CN[C@@H](C)CC1=CCCCC1)C(C)C	2016107837	ZJNOOOBNRPTNSA-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC1(C(C)(C)C)CCC1	2017140864	ADZBNUAKMPHMNB-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@H](CC)C(C)C)CC1	2017719537	BPVLVSMZGHLZMN-QDIHITRGSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC1CCC(CC)CC1	2017724821	ZPLGPEWOBRYSQA-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(CC[C@H]2CCCCN2)CC1	2017733741	NGGAKEKAIBRTKP-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)NCC12CCC(CC1)C2	2018131438	SSFGYMWHHFWFRQ-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1CC12CCCC2	2018137857	ZMRGAMSXRBTGGD-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@]12CCCC[C@H]1C2	2018577752	KSSKMRZRPXPHDM-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@H](O)C(C)(C)C2CCCC2)CC1	2018962785	OGLYMRHLWKVZSB-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@@H](C)C1(C)CCCCC1	2019387834	YZNCVSCWJFFCBL-KKUMJFAQSA-N	239.447	4.712	0	10	BJAE	
CCCCN(CC)C1CCC(C(C)(C)C)CC1	2019402580	BRYHLSIPYUYMCL-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C[C@H](C)C1CCC1	2019848798	GTEWCDBIVWDHKN-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCCN(CC(C)=C(C)C)C1CCCCC1	2020535325	FPLVESIQCXVJSL-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@H]1CC[C@H](CC)CC1	2020964170	FNTJMAMPZUDXJH-FVQBIDKESA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CCC(C)(C)CC	2023337165	VIBSDMKOSMLROL-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CCC(CC)N(CC(F)=C1CCC1)CC(C)C	2023344718	WHZPMIJSLLAAIV-UHFFFAOYSA-N	241.394	4.541	0	10	BJAE	
C/C=C/CCC[C@@H]1CC(C)(C)CC[C@H]1NCC	2024126384	WSZZFRMAQBKAHQ-IPKOWEFYSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H]1CCc2cc(N)ccc21	2027822605	RJHDXXDFMKPVFG-GXTWGEPZSA-N	243.394	4.515	0	10	BJAE	
CC(=C[C@H](C)C1CCCCC1)C1CCC(N)CC1	2027941320	RNGMTWRYWWKEHW-IGEOTXOUSA-N	249.442	4.667	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)c1ccc(C2CC2)cc1	2028596788	GGVXPRLGBSEDSJ-GFCCVEGCSA-N	244.378	4.819	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1coc2ccccc12	2029836094	JDZQEHWWDAITBX-MLGOLLRUSA-N	246.350	4.539	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC1[C@H]2CCCC[C@H]12	2033476184	FQSAOULGEUATSE-GJZGRUSLSA-N	244.378	4.686	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2035554143	FFRVPFURDMKJPD-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
CCCCC1CCC([C@H](N)C[C@H]2C=CCC2)CC1	2035596408	BQSTVHQMIOBNEM-ODZFXCKXSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C[C@H]1C=CCC1	2035596620	DALAFKMXQOFIAO-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1(N[C@@H]2CCC3(CCCC3)C2)CCCCCC1	2036770244	CFJBEKCTPSCKDV-OAHLLOKOSA-N	249.442	4.802	0	10	BJAE	
CC(C)(CC[C@@]1(N)C[C@@H]2CCCC[C@@H]2C1)C1CC1	2037157751	MOWGLVCUIMUBLQ-HALDLXJZSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C[C@@H]2C=CCCC2)C1	2037305752	USHHXKZAWBTMTJ-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)CC[C@@H]3CCCC[C@@H]3C2)C1	2037581379	RGRYJALTERIAEE-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](CC2CC3(CCC3)C2)C1	2038077598	AKTDOYVAXJBLBC-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@H]1C[C@H]2CC[C@H](C2)C1)C1(C)CCCCC1	2039845904	GYSWXFNVKNUBOY-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CC[C@](N)(CC1CC2(CCC2)C1)C1CCCCC1	2040681193	QZEOPAIYEDSPBW-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C1CCC(C)CC1)[C@@H]1CC=CCC1	2042018032	AQJMVDNLXHXOHG-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H]1CCCC12CCC2	2043186689	GQRHGLXFUVJZGZ-GOEBONIOSA-N	247.426	4.578	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1C[C@@H]1CC12CCCCC2	2047015396	IOTBYWMPHBIMJI-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
c1ccc2c(c1)ccn2C[C@@H]1CC12CCCCC2	2047066934	ZWWUZHHWFUKYLX-HNNXBMFYSA-N	239.362	4.612	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2[C@H]3CCCCC[C@H]23)C1	2048465367	IOAJQLROJVHXMY-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CC(C)NCC1(CC2CCC3(CC2)CC3)CCC1	2049854276	GXDCGRNJVQMZQI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NCC1(C[C@H]2CCC3(CC3)C2)CCC1	2049863659	ZXOWYTGCMZOEFT-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](N)CC[C@H]2C=CCCCC2)cc1	2050432750	XVZFSSCRNTZGFU-DOTOQJQBSA-N	243.394	4.521	0	10	BJAE	
CCN[C@@H](C1CCCC1)[C@@H]1CCCCC12CCC2	2053419968	IBAYMZBUYVXAGH-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@]1(C2CC=CC2)CCCC(C)(C)C1	2053691400	JHEFLBIYFDAFGI-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCCCC23CCCCC3)CC1	2055851820	TUBSTHAJPYHJFK-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CN[C@H](C=C1CCCCC1)C1(C)CCCCCC1	2056879068	PORXKCVXCJKHGC-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CCC[C@@H]2C[C@@H]12	2057352192	AQUFUVMOPWKOKC-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H]2CCCC[C@H]2[C@@H]1NCC	2059254855	CCQHVMBWDHKODW-UFXMREIHSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N)(C2=CCCCCCC2)C1	2059490684	WQXQEKZGPSFNNU-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)C1=CC[C@@H](C)CC1	2060911150	WLYQWEKPSMFOKH-PVAVHDDUSA-N	249.442	4.667	0	10	BJAE	
CCCCCC[C@@H](CC1CC(=C2CC2)C1)NCC	2061731166	QEHKQHFIPCGKDT-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC(C)c1ccc([C@H](N)CCC[C@H]2C[C@@H]2C)cc1	2062618970	HHJOUJNDUYBEFU-RRQGHBQHSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C12CCCC1CCC2	2063830064	KTJBXJTZXYXJHR-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CC23CCC(CC2)C3)C1	2065285442	FRSSNMHBYACXAS-JPLDOALUSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@]1(C[C@@H]2C=CCCC2)CCC1(C)C	2068232492	GMDUBPVTMUGCKU-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](NC[C@@H]1CCC1(C)C)c1ccccc1	2068239942	QNSFPKVWMPWBFC-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1ccc(OCC2C[C@H]3CC[C@@H]3C2)cc1	2068698272	ITTIVGWUWCBLOD-HZPDHXFCSA-N	244.378	4.625	0	10	BJAE	
CCCC1CCC([C@@H](N)C[C@H]2CC23CCC3)CC1	2069200888	JUZXFDQGMIQPBN-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(NCC2(CC3CC3)CCC2)CC1	2069504542	BWOUQYQEUUDQJM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CCCc1ccccc1	2070391808	BHXFTMUXKWQDHN-KRWDZBQOSA-N	246.394	4.507	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CC1(C(C)C)CCC1	2071947318	YVJYSTCZPNAWAB-JYJNAYRXSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)c1ccccc1C1CC1	2072425752	YHVXKGBAPMVTMB-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC[C@H]1CC[C@H](CNCC[C@H]2CC=CCC2)CC1	2072795697	HLHIHQABVBEVFY-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)C2(CC3CC3)CC2)CC1	2072799529	ULRRIHLIPLRDIP-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2CCCC23CC3)CC1	2072870392	BJLRUBMLFGQWGN-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@]23CCC[C@H]2C3)CC1	2072880278	ZUVQKNUIPKZPJP-JKQORVJESA-N	248.410	4.742	0	10	BJAE	
CCc1cc(NC[C@@]23CCCC[C@@H]2C3)ccc1C	2074045583	FXDPCZSUICMPGR-WBVHZDCISA-N	243.394	4.550	0	10	BJAE	
CCCC1(C[C@H](NCC)c2cccc(C)c2)CC1	2074643132	BPDJFDYLXCZLRZ-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
C1=C[C@@H](N2CCC[C@H]2C2CCCCCC2)CCC1	2075085428	ZYTWDWRJJUTCFI-SJORKVTESA-N	247.426	4.530	0	10	BJAE	
CCC1(CNc2ccccc2C2CCC2)CCC1	2077265249	NEUSYFMHQHQJGK-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
C[C@H](C[C@@H]1CCCC(C)(C)C1)c1cccc(N)c1	2082975994	NJXMNPYGJGFBIL-KGLIPLIRSA-N	245.410	4.979	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1	2082980699	XJVQURIVORDKCZ-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CC1C2(CCC2)C12CCC2	2083541221	IIEUEMVHJDSYPW-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](O)(CCCCC1CC1)[C@H]1CC1(C)C	2214568997	KYWDXPNDLZPZKM-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@@H]1CC[C@@H]1C	2215094045	AAWIMAJCXZBGFO-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@H]1CC[C@H]1C	2215107082	YMCVMVORIFEAHD-ZYHUDNBSSA-N	247.769	4.649	0	10	BJAE	
CC1=CC[C@](C)(C(=O)c2cc(C)c(C)s2)CC1	2215823349	IBUOEIUJOCRQSP-HNNXBMFYSA-N	248.391	4.684	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](NCC)[C@H](C)CC)CC1	2216285491	MFGCRZNJZYRLME-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@](C)(O)CCCCCCCC1CC1	2216893419	KZRGEJKRYRXDDM-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)CCC(F)(F)CC	2217155468	CLGSBDFQBLELOT-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC1(C(=O)CC2C[C@H]3CCC[C@H](C2)C3)CC=CC1	2218331035	ITYUKPAAUOBCCH-KBPBESRZSA-N	246.394	4.518	0	10	BJAE	
N[C@@H](CCCCC1CC1)C1C[C@H]2CCC[C@H](C1)C2	2220038647	NRMHRBUFIDQIAQ-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@]12CCCC[C@@H]1CCC2	2220045619	KVEWOJNRIHDKFV-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](NC[C@H]1CC=C(C)CC1)C1CCCCC1	2221618837	LMQFHMYVJRZDCZ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)(CNC2CC(C(C)(C)C)C2)CC1	2221640231	KEYSGEKJMUXQRJ-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC2CCC2)CC=CC[C@H]1C	2223539930	SCPJWHVBBDHHPL-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)NCC1([C@@H]2CCC3(CCCC3)C2)CC1	2223574186	ULDSKAMRLACOHT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)c1sccc1C	2244781413	KBNRINJOPMYVTD-STQMWFEESA-N	239.428	4.533	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(N)C(C)C	2244835261	BYONXEHSLSWXCF-HUUCEWRRSA-N	227.436	4.602	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2CCC(C)(N)CC2)C1	2246680934	NKJQYBPKXXGRQD-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC[C@@H]1CCC[C@@H](C)C1	2246729681	CIQHSESUAPAJJT-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@](N)(CC)CC[C@H]1CCC[C@H](C)C1	2246733822	RZTPYAHSZFPATJ-ARFHVFGLSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@](C)(O)CC1CC2(CCCC2)C1	2246788062	SMQHCZSDYQFJLB-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC1([C@](C)(N)CC2=CCCCC2)CCCCC1	2247503955	XWRBXCSYAGXLFO-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)CC1=CCCCC1	2247525721	PYPZFKNWVRNNIJ-CABCVRRESA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)C[C@H](O)CCCCC[C@H]1C[C@@H]1C	2248838361	GCCOGFFIROCIHQ-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CNCC1(C(C)(C)C)CCC1	2250379369	SRLRGLFRALHNMF-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC1(O)CC(C)C1	2250466208	BKFROYKKBYZTBO-FHERZECASA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@]12CCCC[C@@H]1CC2	2251149587	MHNPZKYDBGNGGH-CZUORRHYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@@]12CCCC[C@H]1CC2	2251186582	HHNYWKAIQVAIMC-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CN)CC1CC(CC(C)(C)C)C1	2251574446	WKRZVBFKIHTHKA-XUJLQICISA-N	239.447	4.604	0	10	BJAE	
CCCN[C@@H]1[C@H](CCCC(C)C)CCC1(C)C	2251711281	HWYUGMMHJVJGQC-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H](C[C@H]1CCCCC12CC2)NC	2253817420	KTCNLKNUUFFNNV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCCCC12CC2)C1CCC1	2253833961	UXKUFZWYEKDECI-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C1CCC1)[C@@H](N)CC[C@H]1CCCCC12CC2	2253866436	QYYIZXUSSJUMGB-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CC[C@H]1CCCC12CC2	2255229163	WBLJHZZADDSGOJ-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
NCC1(CC[C@H]2CCCC23CC3)CCCCCC1	2255261426	OCZICIMDTWDAFX-OAHLLOKOSA-N	249.442	4.646	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@H]1CCC12CCC2	2257245253	IKDJONRVKMCTEW-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCCC[C@@H]1C[C@@H]1C)c1ccoc1	2257258726	VYRCKMNKLBVKRT-SQWLQELKSA-N	249.398	4.537	0	10	BJAE	
CCC[C@](N)(C[C@]12CCCC[C@@H]1CC2)C1CCC1	2260644927	DWFNJZAOHFDXDA-OIISXLGYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)C[C@]12CCCC[C@@H]1CC2	2260668263	FDPVINGHNBIASK-YQFWSFKMSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@@]12CCCC[C@H]1CC2	2260678355	KVMRTMCYIOLGKK-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@]12CCC[C@H]1CC2	2260678878	NTBGVXUGMMUUPT-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC[C@H]2C[C@H]2CC)CC1	2298128830	SDXBLHAIYJTCLA-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1C[C@H]2CC[C@@H]1C2	2298615026	RMGYFXGNOHLNNM-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCCC(=O)c1ccccc1C	2300686850	VOXNJANBRFPJBP-UHFFFAOYSA-N	232.367	4.784	0	10	BJAE	
CCC(CC)CC[C@H]1CCCCCCC[C@@H]1N	2300687004	XEKSRSRERNDSFH-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@H](C)CC(C)C	2300691053	PGGWVLWTOOJBGC-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2300875425	VJBMJHQPWQADSD-FICVDOATSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1(C)CC(C)C1	2300880919	PMOQUSWUFWPTKJ-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@H](C)C1(N)CCCCCCCC1CC1	2301032627	XPSRMQJHWVIPRP-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC1(CCCC(=O)CCC2=CCCCC2)CC1	2301922628	AYSLWYSOHGKSMH-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CC(C)[C@@H](C)[C@@](C)(N)CCCC1=CCCCC1	2302321754	ABNNGTUCUHZORY-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@@H](C[C@]2(N)CCCCC2(C)C)C1	2302689455	HAILLHZHMVDSKM-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(C[C@H]1CCC(C)(C)C1)C1CCCC1	2302896668	SUPIGUSPZWUMHN-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2CC[C@H]2C(C)(C)C)CC1	2303474417	XWRPUXBOTORSFZ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@](C)(N)[C@H](C)C(C)C)CC1	2303515473	ICGJPNXGCNISFA-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)[C@@H](C)NCC[C@H]1CCC(C)(C)C1	2304362534	VZLUWDVXJKFRIO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCNCC[C@@H](C)CC[C@@H]1CCC(C)(C)C1	2304445516	BNWBTHXOMBVZGA-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)CN1CC[C@H](CC(C)(C)C)C1	2307747875	UEAYKFZNLMKOHQ-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)CC12CCC(CC1)C2	2307816800	ITIQHPLEYIKNDY-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)CCC1=CCCCC1	2307899947	DPLHAWRWJASJQK-HOCLYGCPSA-N	238.415	4.844	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NCC[C@@H]2C[C@H]2C)cc1	2310961484	YCKUUWCOZZCBIA-CKEIUWERSA-N	245.410	4.507	0	10	BJAE	
CC1(C[C@@H](N)C[C@@H]2C[C@H]2C2CCCCCC2)CC1	2311565956	ISEJKCDQSCCMGG-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)[C@@]12CCCC[C@@H]1CC2	2313307984	UTITXQMTODQBTD-LJIGWXMPSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@H](C)CC2CCC2)cc1	2313594935	VFBHEEVEULSLQQ-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
O=C(CCCCC1CC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316747009	MYSNOSWNBMONFE-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(C(=O)C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2317008470	SEBCCSBIBZVKDC-KEPFICHZSA-N	248.410	4.598	0	10	BJAE	
CC(=CCCC1=CCCCC1)C[C@@H]1CCCCN1	2318547359	ARGAUNCCKIZDLC-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
COc1cccc(CCCC2=CCCCC2)c1F	2318573574	UCUPCQBDAQSERU-UHFFFAOYSA-N	248.341	4.657	0	10	BJAE	
CCCN[C@@H](CC)c1cccc(CC(C)(C)C)c1	2318574119	YKWLBAGFICSNJO-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)(C)C1)[C@@H]1C=CCCC1	2319310977	ACZXEJRYUFPWHK-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(OCC[C@H]2CC[C@H]2C2CC2)c(C)c1	2319752212	WOTBVJGIBHBMNP-CVEARBPZSA-N	244.378	4.509	0	10	BJAE	
Cc1ccc(NC[C@H]2CC[C@H]2C(C)(C)C)cc1F	2320308705	ZPHBNVAGZGLMTQ-TZMCWYRMSA-N	249.373	4.618	0	10	BJAE	
CC1(CC(=O)c2cccc(C3CCC3)c2)CCC1	2320655689	RORMHCVJHJCKES-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCC[C@H]1CNCCC1=CC[C@@H]1CCC(C)(C)C1	2321634626	UCUVKOGNAUJYPD-ZBFHGGJFSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)C2CCCCC2)c1	2327673465	PFSRQJCIVWXQLJ-KRWDZBQOSA-N	246.394	4.732	0	10	BJAE	
Cc1ccc(/C=C/c2ccc3ccccc3n2)cc1	6831383	MOXMLJIFOABOBX-ZRDIBKRKSA-N	245.325	4.714	0	10	BJAE	
CCCCCN[C@@H](CC)c1ccc(Cl)cc1	21789553	IHEQKJFMUDNGQM-AWEZNQCLSA-N	239.790	4.571	0	10	BJAE	
C[C@H]1CCCC[C@H]1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	34995612	XUXVYOVPLUKOSX-FIDHJVLJSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)C1CCCCC1	35577211	NMLJKKSNJFAIJD-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCN[C@H](CCC(C)C)c1ccc(C(C)C)cc1	36820132	APCOSFZCAJPQBK-QGZVFWFLSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)c1ccc(Cl)s1	37284604	IFDYEBBIPAABGH-VHSXEESVSA-N	245.819	4.631	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)[C@@H](C)C(C)C)cc1	70126068	BHZQVZFNYYYPTL-DVOMOZLQSA-N	234.383	4.526	0	10	BJAE	
CCCCCC(CCCCC)N[C@H]1C[C@H]1C	71106431	ACYXOCCULZOJGB-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@@H](N)CC(C)(C)C	71562558	BUOMRYLELVWSMQ-HNNXBMFYSA-N	247.426	4.729	0	10	BJAE	
Cc1c(Cl)cccc1Nc1ccccc1F	82714834	SCSXJHWUFPTQJV-UHFFFAOYSA-N	235.689	4.531	0	10	BJAE	
CCCC[C@@H](CC)COc1cccc(C)c1	85150353	PCHYOWFSHMXMQA-CQSZACIVSA-N	220.356	4.590	0	10	BJAE	
C[C@@H]1CCC[C@H](CNC2CCCCCCC2)C1	89586741	SFPBBLWCJOXVBT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1O[C@@H]1C[C@@H](CC)c1c(C)cc(C)cc1C	107532807	GIRQZINFGJKHLW-OWCLPIDISA-N	246.394	4.673	0	10	BJAE	
CC/C=C\C[C@H](CC)c1ccc(F)cc1	107559468	GTKAIXSZCYPJPE-FJOGCWAESA-N	206.304	4.676	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1ccc(C(C)C)cc1	109718153	WZYISFLBIVDGMO-BBRMVZONSA-N	233.399	4.507	0	10	BJAE	
Cc1c(F)cccc1NC1CCC(C(C)C)CC1	109938842	ZILFWYRLRNJRSZ-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CC[C@H](N[C@H](C)C1CCCCC1)c1ccccc1	109947012	BXJUYBTWKURVEA-PBHICJAKSA-N	245.410	4.696	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C)CC[C@@H]1NCCC	110446005	INNGTFYBIYQIKH-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](NCC)c1ccccc1C	110446526	MCVWQZJBRVJIRE-INIZCTEOSA-N	233.399	4.616	0	10	BJAE	
CCCCCC[C@H](CCC1CCCC1)NC	124807259	SZYBNOCSQLLXCC-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1NC1CCCCCC1	155837583	LDHWBTKPVSLIQL-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@@H]1CC[C@H](C)[C@H](C)C1	168346343	CUWYCDDPXPDVDG-XNISGKROSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)CCOC1=CCCCC1	207478317	NIOXZUNIZKKRNM-KBPBESRZSA-N	224.388	4.779	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCCC(C)(C)CC1	212524176	GBHTZVXYJJRLSI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cc(Cl)ccc1C	229273602	ATKARNNNWBAAJV-IINYFYTJSA-N	240.774	4.508	0	10	BJAE	
C[C@@H](c1c[nH]c2ccc(Cl)cc12)C(C)(C)C	235231847	ZGZLHOZSXHNGGV-VIFPVBQESA-N	235.758	4.971	0	10	BJAE	
C[C@@H]1CCC[C@H](c2c[nH]c3c(F)cccc23)C1	235358211	PFYINLCLOYYMGR-MNOVXSKESA-N	231.314	4.601	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CCC[C@H](C)[C@@H]1C	251686532	HANRKHDVUFQBLQ-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCC2CCCCC2)[C@@H]1C	302250863	KTTLVOPAQWHNPF-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1C	302266929	GNJLDRKRYWGQFA-SUYBPPKGSA-N	245.410	4.794	0	10	BJAE	
CC1([C@@H](N)CCC2CCCCC2)CCCCC1	302271354	RGIFTVHZQZQRKE-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](CCCCC1CCCC1)C(C)C	305914731	GMJBGVQAAYUGCC-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCc1sc2ccc(Cl)cc2c1Cl	306913788	PYASINFHTCTFEX-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)CCC1CCCCC1	308037679	WGBRQTGRWOAYOY-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@H](CC)CC(C)C	308053341	ADSFKHXMTPGARR-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc2sc(-c3cccs3)nc2c1C	309364107	ZPRMNPKCFAWUNR-UHFFFAOYSA-N	245.372	4.642	0	10	BJAE	
C[C@H](CC(=O)CC1(C)CCCC1)C(C)(C)C	309422416	WWSWPSWWFQHEAA-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CC2(C)CCCC2)C1	310390936	KYVLULBFRTYCBW-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC)c1cccc(C2=CCCC2)c1	310630246	MWSFIIVPTCYJPD-QGZVFWFLSA-N	243.394	4.705	0	10	BJAE	
C[C@H](C[C@H](N)CC1=CCCCC1)C1CCCCC1	311209036	KMBZSJCFWVYHEV-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@]1(CNCC(C)C)CCCC[C@H]1C	318533267	QLXAMRUMTNERIW-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)C(=O)CC/C=C\c1ccccc1	323821946	QTRGWBLIDUUHCG-ODDCISTRSA-N	244.378	4.875	0	10	BJAE	
C[C@H](CCNC(C)(C)C)C[C@H]1CCC[C@@H](C)C1	379758923	CNILKSLSERYCLO-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](N)CCc1ccccc1	383130517	CVIZIONNWLCYDA-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@](O)(CCC2CCCCC2)C1	383134390	XJTOKXVRUYNDLO-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CCCCC1=CCCCC1)NCC	384855552	MUCCBTYMYNVSCJ-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)CC2CCC(C)CC2)c1	385304616	XEIKRIMCSVHUDC-QOJXUVEWSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](O)(CC)C1CCCC1	387599973	VQYLVAXCKNHFNM-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NC(CC(C)C)CC(C)C	388586340	IGUUGYMFWMXKCS-GDBMZVCRSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1C=CCCCCC1	393941366	ZPMCNBYUWYRMET-HZPDHXFCSA-N	237.431	4.680	0	10	BJAE	
Cc1ccsc1[C@H](C)N[C@H](C)CC(C)(C)C	395151382	XBQFABDLQWPCMD-NEPJUHHUSA-N	239.428	4.532	0	10	BJAE	
CC[C@@H](Nc1ccc(SC)cc1)[C@H]1CC1(C)C	397638611	XTFRAUIZSCOUDI-ZIAGYGMSSA-N	249.423	4.645	0	10	BJAE	
C[C@@H](C[C@@H](N)C1CCCCCCC1)C1CCC1	398653737	LXPNEHQAVUNSCR-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CC=CCC2)c(Cl)c1	402124822	FPWHKIZFPAPIBL-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CCCC[C@@H]1C	402347453	QKMYHFYJQPSXNC-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC1([C@H](N)CCCC2CC2)CCCC1	405766995	YHXLJDHOQDVZTP-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)N1CCCCC[C@@H]1c1ccccc1F	616605714	PEWVUMKBCSVTAW-OAHLLOKOSA-N	249.373	4.541	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CC(C)(C)c1ccccc1	686728142	DNXKLEULAOAYIN-GDBMZVCRSA-N	247.426	4.508	0	10	BJAE	
CCCC1([C@H](O)[C@@H]2CCC[C@H](CC)C2)CCC1	686921758	LTICVVDBDUBKPR-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
Cc1cocc1C(=O)C1CC(C)(C)CC(C)(C)C1	688307876	JAUHUKHADMLLKM-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
CCCCCCN[C@H](C)CC1CCCCC1	689836134	LSGOAGKZSXSBIJ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCCCC[C@H]2C)c1	691076369	XVKIYFFTACKSAN-HIFRSBDPSA-N	231.383	4.684	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NC1CCC(C)CC1	691178884	YQTBSFOIYVUQMC-GRAKBVBRSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)CC1CC=CC1	692108663	WMIQXSDDNGMZDA-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@@H](C)C1CCC1	692753661	VENSAUKTQHAWGG-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCCC[C@@H]1C1CC1	696102246	CCLZLBRWAWNMPO-ZBFHGGJFSA-N	247.357	4.515	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1C(=O)CCC1=CCCCC1	699810715	KEXACEDGSDWCGG-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)[C@@](C)(N)c1cc2ccccc2s1	704505943	FFYBSTLCGBTXDK-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CC(C)c1ccccc1[C@](C)(N)CC1CCCC1	704912035	GRTKNHUNQZPHOJ-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCCCC[C@H]1C	704928356	KXRQNIRAOLOZGB-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)c1coc2ccccc12	708315788	JFVZYQYLTLMWSY-XHDPSFHLSA-N	245.366	4.505	0	10	BJAE	
CCc1ccc(OC[C@@H](C)CC(C)(C)C)cc1	709103548	AQPAYGLCKJGYPT-ZDUSSCGKSA-N	234.383	4.700	0	10	BJAE	
CC1(C)CCC[C@H]1NC1CCC(C2CCC2)CC1	710160194	KCNHPMGSOFSPES-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](N[C@H](C1CCCC1)C1CCC1)C1CC1	711833498	RUIYZEMSCDNRDY-IAGOWNOFSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)C[C@H]1CC(C)(C)CC	713263627	LJZXKTLIFPYZRI-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@@H]1CCCC[C@H]1CNC(C)(C)C	713708579	GGMTYMXLKWDZTQ-UWUBPMADSA-N	249.442	4.703	0	10	BJAE	
C(CCC1CC1)CN[C@@H]1CCC[C@@H]2CCCC[C@H]21	714256670	MWVXCJZMYOWMEC-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1c2ccccc2[C@@H](C(C)C)[C@@H]1CC	714354497	AVKBBZSIFOLRPD-JQFCIGGWSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@@H](C)C(=O)CCC(C)=C(C)C	718696744	GKCIIQGJXRNLPX-CYBMUJFWSA-N	210.361	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H](C2CCCCC2)C2CC2)C1	723982193	NKVYPGNVJPFOKI-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CCCN(CCC2=CCCCC2)C1	1196103967	JLFRBZVBXVOEJK-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CCC[C@H](C)CCNCc1ccc(C(C)C)cc1	1656864287	BAACGNFSNIGTQJ-HNNXBMFYSA-N	247.426	4.726	0	10	BJAE	
CC(C)=CCCC[C@](C)(F)C(C)(C)F	1893752898	GQSJNSHOMMXIHF-LBPRGKRZSA-N	204.304	4.599	0	10	BJAE	
CCCCCC[C@@](C)(O)CCC(CC)CC	1900704934	XWPHUYHJTDWVAF-OAHLLOKOSA-N	228.420	4.924	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@@]12CCCC[C@@H]1C2	1909909022	MLMLVTQSDOXMCU-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CCC=CC[C@H](CCC)c1ccccc1	1911907966	CKJYVWUWPPHECC-AWEZNQCLSA-N	202.341	4.927	0	10	BJAE	
C=CC=CCC[C@H](NCCC)c1csc(C)c1	1911916967	UHTKKYPOYLVBGO-HNNXBMFYSA-N	249.423	4.620	0	10	BJAE	
O=C1CCCCC[C@H]1CCC=Cc1ccccc1	1912008185	NYYXWXLBERSXOT-INIZCTEOSA-N	242.362	4.629	0	10	BJAE	
C=CC=CCC[C@H](NCC)C(CCC)CCC	1912116677	AXSWYMDZKIZBAD-INIZCTEOSA-N	237.431	4.703	0	10	BJAE	
CCCC=CCNc1cc(C)c(Cl)c(C)c1	1914676212	QMMIVPITRKIVGZ-UHFFFAOYSA-N	237.774	4.725	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H](C)C1CCCC1	1924097278	JHWZZUVOSKYBCU-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@@H](C)C1CCCC1	1924114561	AIKIUABJGWCHOL-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CNCC)C1CCCC1	1924118519	IQACJGGXPKGIRN-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](CC[C@H]1CC1(C)C)C[C@@H]1C=CCCCC1	1925802812	OCBSILQIDGOZEC-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C1=C[C@@H](Cc2cccc(OC3CC3)c2)CCCC1	1925829473	HHGUKMWWRVWHLY-CQSZACIVSA-N	242.362	4.517	0	10	BJAE	
CCCC[C@@H](CCC[C@@H]1CC1(C)C)NCCC	1940871540	DPXSVFZGXIMMDG-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC([C@H](N)CCCC2(C)CC2)CC1	1940872909	AIIBTXLBTHQTOG-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)c(OCCC[C@H]2CC2(C)C)c1	1940875914	ZCLXRJYUUPUWES-AWEZNQCLSA-N	232.367	4.509	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CO)CC=CC[C@@H]1C	1940957110	PXXSZUWLUSKVSQ-JYJNAYRXSA-N	238.415	4.558	0	10	BJAE	
CC(C)NCCC(C)(C)CC1CCC=CCC1	1941793845	NRWMOKLGLFZQPJ-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)[C@@H](CC1CCC=CCC1)NCC	1941795381	KOCQHVIBIXHIQA-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
c1cc2cc(NC3C[C@@H]4CC[C@H]4C3)ccc2s1	1941961585	SJUKOAWTKPDDMG-QWRGUYRKSA-N	243.375	4.502	0	10	BJAE	
CCCC[C@@H](CC)CC1CCC2(CC1)C[C@H]2N	1942917188	QFBQXBYFXIBIDQ-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943047006	OISMFDSMWXLVPP-BYNSBNAKSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)C(C)(C)C1CCCCC1	1944619254	VQZXCOZXAWACFU-UKRRQHHQSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)CC(C)(C)C	1947594772	ZWEITNRAEOJXGL-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC1(O)C[C@@H]2CCCCC[C@H]2C1	1947841881	DUDZTXQIVAHEIS-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCCN[C@@H]1CCC12CCC2	1949323989	ICDKBPXDMFUMPR-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CC1CC2(CCC2)C1	1949839355	IAYIVLQSSWCJIU-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@H](O)[C@@H]1CCCC(C)(C)CC1	1950915362	ZVLTXTXCPFQMIC-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@H](N)C1CC2(C1)CC(C)(C)C2	1950972385	HAKQBOXYXSABNT-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(F)ccc1NCC[C@@H]1CCC[C@H](C)C1	1968366779	MXPDTLYNMLMTJA-JSGCOSHPSA-N	249.373	4.762	0	10	BJAE	
CC[C@@H](NC1CC2(CCCCC2)C1)[C@H]1CC1(C)C	1972536747	XUEOKBBOTLIPPZ-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cc(C(F)F)cs1	1977079030	PYUAUZWRROJLSN-SNVBAGLBSA-N	248.338	4.545	0	10	BJAE	
CC(C)CCCCC[C@H]1CC[C@H](C)C(=O)C1	1982770324	PJWFHSUWHOOBGB-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)CCCCC	1990094635	XMPIPDWNYVVQCO-CABCVRRESA-N	227.436	4.904	0	10	BJAE	
CC(C)=C(C)CCc1cc(F)c(Cl)c(F)c1	1993615623	RMCIMQZKOGDDPM-UHFFFAOYSA-N	244.712	4.907	0	10	BJAE	
CC(C)=C(C)CCN1CCC[C@@H]1c1ccsc1	1995750855	BLRFSNOOJSLHGP-OAHLLOKOSA-N	249.423	4.631	0	10	BJAE	
CC(C)CC[C@H](C)n1ccnc1C1CCCC1	1995885344	MSAZXCVOTMKAQO-ZDUSSCGKSA-N	234.387	4.538	0	10	BJAE	
CCC(CC)N(CC)[C@H]1CCC2(CCCC2)C1	1995895319	DSQTYOSBLCWKEM-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@H](CCC[C@H](C)C(F)F)NCCC	1996095634	WHLBJDHYVVZHAE-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC1CCC(C)(C)CC1	1996613349	QMRDZRSMJSUZAT-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@](N)(C1CCC1)[C@@H]1CCCC(C)(C)C1	2000064351	ZIRPGWNSWPWLGM-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)c2cccc(Cl)c2)C1	2000191229	ZCVRXAIYEALHTL-ZWNOBZJWSA-N	248.753	4.515	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1CCCC(C)(C)C1	2002994169	RLEPBWZATKURKP-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H]1CC[C@H](NC2CCCCCCCC2)C1	2003074416	JUAKAFDTXKDPRU-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
C[C@H]1CCCC[C@H]1NC1CCCCCCCC1	2003099225	KGGQDEIUXVRGOJ-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
OC1(C2CCCCCC2)CCCCCCCC1	2003110921	HWTDQLAIRMJWQP-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)CC1(C)CCCC1	2003180282	ZCNRWCOZNGIGJX-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@@H]1CCCC2(CC2)C1	2003192540	FHNLLQRWUUNOBN-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)CNc1c(F)cccc1F	2004711450	JZOSUTQVSXWUNO-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCCC12CC2	2005543869	AIMNJYCSDPEQIJ-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@@]1(CNC(C)C)CCCC12CC2	2005568374	YNEJJNOJTQOYKA-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(C)(C(=O)CC[C@@H]2CC2(C)C)CC1	2007682196	WKRSCLSLYZCOQC-MFOWVQHXSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(O)CC(CC)(CC)C2)C1	2009299330	OYEWSUYFCJEPST-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC)CC(N)(CCC(C)(C)C2CC2)C1	2009306066	ILWBOYUFLGZBGF-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC1=CC[C@H](C)CC1)CC(C)C	2010622904	GTKZBKBTSFGAHL-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC=C([C@@H](O)C(C)(C)C(C)(C)C)CC1	2010725210	HAJKEPKYACNIQL-CYBMUJFWSA-N	238.415	4.556	0	10	BJAE	
CCCCCC[C@@](C)(N)C1=CC[C@@H](CC)CC1	2010729137	LUEXZKWPNOJHJF-GDBMZVCRSA-N	237.431	4.811	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(C)c(F)c1	2013263611	IOUIMUOQLJJLNB-ZDUSSCGKSA-N	237.362	4.761	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@](C)(O)C1(C)CCCC1	2014323430	BJJJBBICLIDYER-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)[C@H](C)C(C)(C)C	2015277432	GXIUVUPYDOJTOF-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CCCC[C@@H](N)C(C)(C)C)C(C)C	2015344289	JIYUDVJGFSWAIE-OAHLLOKOSA-N	241.463	4.848	0	10	BJAE	
CCCC1(COc2cccc(CC)c2)CCC1	2015596759	VCBIBGYOVSAKLY-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CCC1(C[C@@](C)(O)CC2CCCCC2)CCC1	2015599221	IHFQLDDLJYJTOR-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)[C@H]1CCC1(C)C	2016142654	ATCQDBHQOHBGIB-RRFJBIMHSA-N	237.431	4.536	0	10	BJAE	
CC(C)C1(C[C@](C)(N)C2(C)CCCC2)CCC1	2017149177	XJQINYCAVRQHSS-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCCc1ccc(NCC(F)=C(C)C)cc1	2017464680	SONLZSMJCIEVOJ-UHFFFAOYSA-N	235.346	4.705	0	10	BJAE	
CC[C@](O)(C[C@H]1CC[C@H](CC)CC1)C1CCC1	2017653522	UPEHXJJETOVKQS-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC)NCC(C(C)C)C(C)C	2018128092	UXECBPLPHZUHPR-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)[C@@H](C)c1ccccc1	2019109571	DLBYCQSNNHVDAR-UONOGXRCSA-N	233.399	4.504	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@@H]1CCCC[C@@H]1CC	2019199729	MDMOMBIJICJSNN-HRCADAONSA-N	239.447	4.856	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(CCC(C)C)C1CCCC1	2019383657	DDSNABIGABNIMJ-LSDHHAIUSA-N	239.447	4.712	0	10	BJAE	
CCC1(CC)CCC(O)(C[C@@H](C)C2CC2)CC1	2019689841	HWVYAHNUANYUFX-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CCC)[C@H](C)CCC	2022486238	WIDAULLOEXLVAJ-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)C2CCCCC2)C1	2024093302	AIDBCOITVCDAFH-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@H]1CC(C)(C)C1(C)C	2025067961	MXKKELMIEKSLJB-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc([C@@](C)(N)CC2(C)CCCCC2)c1	2027307170	SMWCEJVIVCJFRA-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@@H]3CC[C@@H]32)cc1	2027993504	XWWVSZSMFGJHIG-ZFZWDLNGSA-N	243.394	4.801	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1c(C)cc(C)cc1C	2028235823	TXEVQEISYLTDDG-NVXWUHKLSA-N	248.410	4.718	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1C[C@@H]2CCCC[C@H]21)C1CC1	2028786033	IFIQMYFTULGHOV-NWANDNLSSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC[C@@H](C)CCC(C)C)c1ccccc1	2029830410	JKXHHULBIADUIY-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@]1(C)C=CCCC1	2030355294	WYEVXNGKXYKMTP-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
NC1(C2[C@@H]3CCCC[C@@H]23)CCCCCCCCC1	2035888673	BBDMXAPOKHFFLG-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cccc([C@H](N)C2(C(C)C)CCC2)c1	2037143199	PGFPVMWCFMIEMX-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CC(C)(CC[C@]1(N)CCC[C@@H](C2CC2)C1)C1CC1	2037162836	QZTLTXBSSFEXIY-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2CC3(CCC3)C2)C1	2037975448	XRSUBGLCQRPOHO-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CC1CCC([C@@](C)(N)CCC2=CCCCC2)CC1	2040649244	ZYVPMXNLCJJCNV-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)N[C@H]1C=CCCCCC1	2041841123	DVUGLHXYYSLLJS-DOTOQJQBSA-N	249.442	4.824	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC2(C)CC=CC2)CC1	2042076314	MUTHSBNZTJIFCB-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CCC1CC1)N(C)C[C@@H]1CCC=CCCC1	2045315979	ZOQDJYLEQKCIFH-NVXWUHKLSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2CCC3(CCCN3)CC2)C1	2048950072	FYFQJIKRYRMBBT-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H]2CCC3(CC3)C2)CC1	2049418352	PYYUBNMLTSTRGZ-SLTXQBBLSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC([C@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049858602	PKUAUDFOUSNSLP-JWMHWRSXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC2(CC2)C1)C1(CC)CC1	2049866944	RFHJZYRBHQFYOP-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@@H](C)C(C)(C)C)c1ccc(C)cc1	2050429617	YRXLRUZOSMXQIZ-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)[C@H]1CCCCC12CCC2	2053356660	FYSJLYXFWARNNO-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1C[C@H](CC2CCC=CCC2)C[C@@H](NC)C1	2055035790	VXAVUNSAGMIACJ-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@@H](C)C1CCCCC1	2056872698	GJCWNTAZHVMCME-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
NCC1(C2CC(C3CCC3)C2)CCCCCCC1	2057489558	WHLAELXRRNUTNN-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
C/C=C/CCC[C@@](O)(CC(C)C)c1ccccc1	2059224124	WWPAMDLOFLPIBH-LAQIPUCWSA-N	246.394	4.667	0	10	BJAE	
CC1(CCC(=O)[C@@H]2C[C@@H]3CCCCCC[C@H]32)CC1	2059239376	QBKXICZCBCTPFS-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
Cc1oc2ccccc2c1C(=O)CCC1(C)CC1	2059242738	GGSLNKRSCFBZLG-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
C/C=C/CCC[C@@H](NC)c1ccccc1C1CC1	2059260146	VYNPEBLLSDYECS-REMYHPOOSA-N	243.394	4.571	0	10	BJAE	
CC(C)C1([C@@H](N)C2=CC[C@@H](C(C)(C)C)CC2)CC1	2061099988	SZKURRCAAFCIPM-CABCVRRESA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C(C2(N)CCC(C)(CC)CC2)CC1	2061115406	HGSUSBWWSIDQDM-ODIFPOPNSA-N	249.442	4.811	0	10	BJAE	
C=C=CCCC(=O)[C@@H](c1ccccc1)[C@H](C)CC	2061558185	SCTUKPXYARHPNN-RHSMWYFYSA-N	242.362	4.507	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1CC(=C2CCC2)C1	2061739459	NSNBEDKLMTUBOC-SUMWQHHRSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCCCC12CC2)C1CCC1	2062019859	KVQAFRIPPOOLHH-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNC1(C2CCCCC2)CCC1	2062642057	NITKNFYYJSEELB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NCC23CCCC2CCC3)C1	2063903467	UIOWXKBAUMXIRY-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CC12CCC(CC1)CC2	2065338532	TVDWXLNLDOPDEX-RDHHWEPZSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@H]2CC23CCC3)cc1	2069192031	CKYICQZCWOJXPT-CQSZACIVSA-N	243.394	4.586	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CC2(C(C)C)CCC2)C1	2071916136	WBCDKTJURINPNW-HIFRSBDPSA-N	248.410	4.764	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@@H]1CC12CCCCC2	2074633216	AASWXZNGFSAQRX-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC[C@]3(C)CCC[C@@H]23)C1	2074890717	BSTNUNYKTQGENW-TWMKSMIVSA-N	249.442	4.610	0	10	BJAE	
C[C@@]12CC[C@@](CCC3CC(=C4CCC4)C3)(CO1)C2	2075301339	BQFVPXIATPJOLS-DLBZAZTESA-N	246.394	4.616	0	10	BJAE	
CCC[C@H]1CC[C@H](CN2CCC23CCCC3)CC1	2075341108	KKJAAIMRNWECLX-WKILWMFISA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1CC12CCCCC2	2077184050	FKXSXNBMGBCNDZ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
F[C@H]1CCCC[C@@H]1Nc1ccccc1C1CCC1	2077261634	BCTPOCNGNUOULH-HOCLYGCPSA-N	247.357	4.647	0	10	BJAE	
CCCC[C@](C)(N)CC1CC2(C1)CC1(CCC1)C2	2083617568	OIAFUJAAWVEVAM-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@@H](O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213273386	PRMLGOPHXKXVOP-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC1(C(=O)CCCCCCC2CC2)CCCC1	2213578188	JMDMBZMZXHWQCC-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCCCC[C@](C)(O)CC1(C)CC(C)(C)C1	2215389092	VXFROAVKTZIYEG-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
C[C@@H](C(=O)CC1(C)CC(C)(C)C1)C1CCCC1	2215441290	GSYWHXWCLAWCEH-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC1(CC[C@]2(N)CCC[C@H](C(C)(C)C)C2)CC1	2216250496	AYJITANHQVPAJI-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C1(CN[C@@H](C)CC)CC(CC)C1	2217154758	WURRUCYEINNZHN-QVOMUQBLSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CCC2CC1C2	2217278687	GWYNYJSJAYZPGJ-MBRGGSNBSA-N	249.785	4.503	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218329936	FKGGCCOEWLEDSP-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
FCc1ccc(NCCCCCCC2CC2)cc1	2218728678	WNKNPHUHWJLPPP-UHFFFAOYSA-N	249.373	4.929	0	10	BJAE	
CCC[C@@](C)(C/C=C/c1ccccc1)CNCC	2219095990	QXDYXSUZRSERMB-KQPPXVQYSA-N	245.410	4.506	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CC1(C)CC2(CCC2)C1	2221035745	RXRJNRPLCPSOJJ-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@@]1(C)CC=C(C)CC1	2221621028	CICZVFXHSFGNAA-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC[C@]23CCC[C@H]2C3)CC1	2221646494	UEJRAPSZDYMFHI-XIRDDKMYSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc(C)n1C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222955550	USXBQHBBAVTRFS-BRWVUGGUSA-N	245.410	4.711	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222955891	XNSVDKCSGYGOFY-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)C[C@@]1(CNC2CCC2)CC=CCC1	2223540792	CCWHYDPRFWYBBN-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)c1ccc2occc2c1	2224139812	OVJJWCDKJDPSCC-CQSZACIVSA-N	246.350	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](O)CCC2(C)CC2)C1	2246662977	CSGOUGURNWODGX-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](N)CC1CC2(CCCC2)C1	2246767355	MPGQKMRZZVIQEF-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC2=CCCCC2)CC1	2247461326	JBCQFYMJPYBYJH-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNCCCC(C)(C)C	2248865381	ITKHIZFUGOFGEJ-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCCN[C@@H]1C	2250477051	SRGBJKSYFQPDAW-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CCC1CCCC1)CC1CC2(CCCC2)C1	2254119763	MUZBANUXCPYCOC-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CC3(CC(C)C3)C2)CC1	2254161226	LUDNOHIGLCKOFX-QZAQUIPZSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@@H]1CCC1(C)C	2254954316	KQWDETHTPISZII-ZDUSSCGKSA-N	245.410	4.832	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN[C@H]1CCC2(CCC2)C1	2257316525	RPCLGBOXKLVTTP-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@@H]1CCC[C@@H](C)C1)C2	2259569760	OCEYVNGUXFRACY-KBMGIXFMSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)c1ccccc1	2259620074	AKVOECNTWHYNBS-NVXWUHKLSA-N	247.426	4.929	0	10	BJAE	
O[C@@H](CC1CCC1)c1cccc(C2CCCC2)c1	2260727655	RIUZYNHEFKARTM-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
C[C@@H](C[C@H]1CCNc2ccc(F)cc21)C(C)(C)C	2261340789	XNJQKXXWVSZWLG-NWDGAFQWSA-N	249.373	4.797	0	10	BJAE	
CCC1CCC(N2CCCCCC2(C)C)CC1	2298881925	GHDLBJAVXCZNSF-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CCC(C)=CC[C@]1(N)CCC[C@H](C(C)C)CC1	2300899619	QBIBHIXJCABJIC-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CC[C@@H]1CCCCCCC[C@@H]1NC	2300899865	RYNQGLKXKRKXGN-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CN[C@H](CC=C(C)CCCC(C)C)C1(C)CC1	2300937446	OHWFNTASIXCFJD-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)[C@@H](C)C(C)C	2301962405	SSPGNRYYBKVJRD-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1CC(C)(C)[C@@H]1C	2302115386	MWMJPAJBGKWIOP-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)CCCCCC1CC1	2302609621	GKFGJIPZQKELNP-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CCC[C@@H]1C[C@H]1C	2302610523	WXGFMVDYHZWHKW-QKPAOTATSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)C(C)(C)C(C)(C)C)C1	2302674371	ACHGVCOAKYFHAZ-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC(C)(C)C1)[C@H](C)CC	2302674604	CGJPOCCMLBRMQY-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@H](CC1CC1)C1CC1	2303841556	TTYMDKGDIYCHAX-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)N(C)CC[C@H]1CCC(C)(C)C1	2304439790	MENLNYFXCCLZFH-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(CC)c1nc([C@H]2CC23CCC3)cs1	2304486437	JNOPQIKEYMRAIU-LLVKDONJSA-N	249.423	4.878	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCC12CCCC2	2307879131	QHWPFUUEOMRRRR-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1C(C)=CCC[C@H]1C	2307879379	RGAAHMJBIIQVOY-FXUDXRNXSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@@H](C)CC(C)C	2307907101	BAOQUZDHLCQIAA-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C12CCCC1CCC2	2307910599	OPXHKPVQFACEMS-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2316503370	PKMFMBNEBHNWCV-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1ccc2ccccc2c1	2316509507	IMANKUWFZJHRBI-QGZVFWFLSA-N	239.362	4.586	0	10	BJAE	
CCN[C@@H]1[C@H](CC=C(C)CC)C[C@H]2CCCC[C@@H]21	2316531069	APWMXUYFFXGDEY-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1ccc(F)cc1C1CC1	2317068097	BAQXIWRINLXWPM-BZNIZROVSA-N	249.373	4.529	0	10	BJAE	
CCCCCCc1ccccc1[C@@H](C)NCCC	2318364281	LBJOAMFUPUCWDV-OAHLLOKOSA-N	247.426	4.870	0	10	BJAE	
CCC1(CC)CCCN1CCCC1=CCCCC1	2318583571	QIXKHJDQGGFJAP-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC[C@H]2C[C@H]21	2319535092	MZRANMPWCFSSNL-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
C[C@@](N)(CC[C@@H]1CC[C@H]1C1CC1)C1CCCCC1	2319751108	RIZNYITUKSPMMN-BHYGNILZSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCC[C@@H](C)CC2)CC1	2320329025	SCSQUGOXTXYDNX-XYPHTWIQSA-N	249.442	4.811	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CCC2(C)C)c1F	2327782745	UNLCLNLIFNQRRO-LBPRGKRZSA-N	249.373	4.797	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CCc2ccccc2C1=O	2328153825	GCBPFJTZTXHODG-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
CC(C)CNc1ccc2oc3ccccc3c2c1	20544930	CTKYCAOQEAHCAJ-UHFFFAOYSA-N	239.318	4.654	0	10	BJAE	
CC(C)CCC(=O)c1cc(Cl)ccc1Cl	37378075	APHXGVCNWXQGFE-UHFFFAOYSA-N	245.149	4.612	0	10	BJAE	
Cc1cccc2c1CCc1cc(C(C)C)ccc1-2	49942673	FRPONBNCILSQLG-UHFFFAOYSA-N	236.358	4.884	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H](C)c1ccc(C)c(C)c1	70105574	YYIPWANLGHUNKP-YOEHRIQHSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@H](CC)CCC[C@@H](NC)C(C)C	70746841	YARZLZSLVBRULF-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](NC[C@H](C)CCC)c1cccs1	71105498	OEZITRCWQMSERY-OLZOCXBDSA-N	239.428	4.615	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(F)cc2C)C1	71105923	NMULYVMYQFZYTG-GXTWGEPZSA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H](C)c2ccc(C)cc2)C1	71118136	VDYLYNNSWAINKB-ZOBUZTSGSA-N	245.410	4.614	0	10	BJAE	
CCCC[C@@](CC)(CCC(C)(C)C)CNC	71127905	QPGPHFVVPATZLS-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H]1CCCC(C)(C)C1	79974996	VXQZZPZSDRCHJG-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCCc1ccc(NC2C[C@@H](C)C[C@@H](C)C2)cc1	84462975	KHGBTOSLDQHTLF-VMZNBEPHSA-N	245.410	4.876	0	10	BJAE	
CCC1CCC([C@](O)(CC)c2ccccc2)CC1	85077262	ZTKVJTUQMUWIAW-PREGVCBESA-N	246.394	4.501	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC[C@H](C)CC2)c(C)c1	86887868	DKXIYDLUOXLBEP-BLLLJJGKSA-N	245.410	4.993	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H](C)C(C)(C)C)s1	88047307	VFZZVAIRXSGPKV-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
CCCC[C@H](NC)c1ccc(C(C)(C)CC)cc1	90483307	RSZXDLITKNSOAF-INIZCTEOSA-N	247.426	4.825	0	10	BJAE	
CCC[C@H](C)Nc1cc(C(F)(F)F)ccc1C	91478209	NFLRTVHOKCAHLS-JTQLQIEISA-N	245.288	4.614	0	10	BJAE	
CC[C@@H](CCC(C)=O)c1ccc(C(C)(C)C)cc1	107537550	OLXOEKRYQYCOCO-AWEZNQCLSA-N	246.394	4.847	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C1=CCCCC1	110228930	WXUNZSLEPGTSSW-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)c1cc(C)ccc1C	111647742	YLEJPWANGXGGHF-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CNC)C1CCCC1	128172960	AJSQTYMYXFGDBH-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Oc1cc(C)ccc1C	130383200	UTPIOPNTFWNSOG-HUUCEWRRSA-N	232.367	4.651	0	10	BJAE	
CCC[C@@H]1CNCCC12CCC1(CCCC1)CC2	130511568	LIEJXHUETAEKFU-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
c1ccc2c(c1)C[C@@H](c1ccc(C3CCC3)cc1)N2	133450757	XLSPJPDXXWKVOA-SFHVURJKSA-N	249.357	4.663	0	10	BJAE	
CCCCC[C@@H](N)C[C@@H](CC)CCCC	143422804	RTPWWZYEBIWIDH-UONOGXRCSA-N	213.409	4.501	0	10	BJAE	
CCCCC[C@@H](NCCC)c1ccccc1CC	159526474	WIOSCWZOMBFFJV-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CCc1ccc(C(=O)CC2CCCCCC2)cc1	161873294	QSKFOARRICEPMQ-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@H](C)C(C)(C)C	162694229	FAQFRYTVWGXVDU-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1([C@H](N)CCC(C)(C)C)CCCC1	163357456	FRLLBTNSTFQAJF-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)[C@@H](C(=O)CC1CCC1)c1ccccc1	165832264	JOWRYJVHASEZSE-CXAGYDPISA-N	244.378	4.576	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc(C)c2ccccc12	167196189	DJXSSABABNYLOG-GFCCVEGCSA-N	240.346	4.767	0	10	BJAE	
CC[C@@H](C)C[C@H](O)c1c(C)ccc2ccccc12	167655139	IGKKTCSPQRJRBU-WBMJQRKESA-N	242.362	4.618	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1	221147638	PTKNMQBHMQPCHC-DVOMOZLQSA-N	244.378	4.504	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1CCCC(C)C	221654331	QDXTUKCUCSQXNQ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(OCCC(F)(F)F)cc1	223008711	VTPYVMZTRVPGRO-SNVBAGLBSA-N	246.272	4.531	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@@H]2CCC[C@@H](C)C2)CC1	226511551	SZTPBCOTTHCSOA-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2C[C@@H](C)CC[C@H]2C)c1	227002938	GOROUYQJAJQPPF-SGIREYDYSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@@H](NCC)C1	227719336	RNJDIUWBAJTKPL-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCC1CCCC1)CC(CC)CC	229159755	DFEBFXVKYCXZMM-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C1(CC(C)C)CCCC1	229272016	HKVQELRGZFKHHA-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@@H](C(C)C)C2)cc1	230986251	QXPHRRFYXOFKDK-WBVHZDCISA-N	245.410	4.876	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)C1=CCCCCCC1	233531340	WLMSKCKWPALJKS-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc([C@H](O)C2=CCCCCCC2)cc1C	235913290	WBZRLLJIELESCQ-QGZVFWFLSA-N	244.378	4.617	0	10	BJAE	
CCC1CCC([C@@H](O)CCCC(C)(C)C)CC1	302246932	AVCCWSOLLQERRC-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)C1CCCCC1	305988171	IXBFAHAQTJYFCR-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(N[C@@H]2C=CCCCCC2)cc1	310069135	XYEYCMZKGHUJFO-OAHLLOKOSA-N	229.367	4.550	0	10	BJAE	
CCCNC[C@@H](C)CC[C@H](C)C1CCCCC1	310440813	WKQBELRYXGXXGQ-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](C[C@@H](N)C1CCCCC1)C1CCCCC1	310486952	NDJGCXVAZNJZCW-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@H]2CCC[C@H](C)C2)c1	310784814	SMUONJJBVMTGAF-WFASDCNBSA-N	244.378	4.703	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCC[C@@H](C)C1)c1ccccc1	310805674	YKFSDDXWXUDZKX-QLFBSQMISA-N	244.378	4.576	0	10	BJAE	
CC1(C[C@H](N)c2ccc(C(C)(C)C)cc2)CCC1	311126204	VHQIHEGRKHLZHA-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CC1CCC([C@@H](O)c2ccccc2C(C)C)CC1	311192113	DWONBDDMKJFYNB-MQBCKMQZSA-N	246.394	4.670	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@@H](C)[C@H](C)CC	319435241	QOVBQBYPYKMNDU-IJEWVQPXSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](N[C@@H](CC)C1CCC1)c1cccc(C)c1	324872240	CCWKRCMYLSNHKJ-IRXDYDNUSA-N	245.410	4.614	0	10	BJAE	
CC1(C)CCC(CC[C@@H](N)C2CCCC2)CC1	380061906	OPWOMJALSJBFHN-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](CCCC(C)(C)C)NC)C1	382667362	PMCSZVHWJXXUBU-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CCCC(C)(C)C)C1	382693447	RHLOSALFZAVYRZ-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
CC(C)CCCCCC(=O)c1ccoc1Cl	383096622	DFISDFVNQHSLOF-UHFFFAOYSA-N	242.746	4.722	0	10	BJAE	
CC(C)CCCCCNc1cc(F)cc(F)c1	383250087	KDNUNJFCBKBIQJ-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
Cc1ccc2ccn(CCC3=CCCCC3)c2c1	385079065	YFVKCDRGSKFHSF-UHFFFAOYSA-N	239.362	4.840	0	10	BJAE	
C[C@@H]([C@H](O)c1ccc(C(C)(C)C)cc1)C(C)(C)C	385372074	CJTGHLKAUJIOFF-WFASDCNBSA-N	248.410	4.700	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1csc(C)c1	392891299	UFKVQQBQBBBSMK-OCCSQVGLSA-N	240.412	4.696	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCCC12CCC2	394776001	DTTVHWZLSWOQLA-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
C/C=C/CNC1CCCCCCCCCCC1	394947120	FVLMGEUTNOSKAL-NSCUHMNNSA-N	237.431	4.825	0	10	BJAE	
CCOc1cc(Cl)c2cc(CC)sc2c1	396195252	VRWGFECUFCGBFE-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc2ccc(CC)c(CC)c2s1	396204333	IMAWRBZNGCDWNG-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CCOc1cccc2sc(C(F)F)c(C)c12	396240023	KWDNJCNBRMNERW-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C[C@@H]1CC=CCC1	402196465	BXPQOZPAFXGXOP-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
FC(F)c1ccc(C(F)(F)F)c2ccccc12	514254579	LDVQSAVRTQOJJF-UHFFFAOYSA-N	246.178	4.796	0	10	BJAE	
C[C@H]1CCc2[nH]c3ccc(C(C)(C)C)cc3c2C1	527396498	WGNQBWODQRKFIW-NSHDSACASA-N	241.378	4.590	0	10	BJAE	
CCCC1([C@H](NC)c2cccc(C(C)C)c2)CC1	688913419	IQMRFYITTOMVNS-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCSc1cccc(N[C@@H](C)CC(C)C)c1	689699691	KXZHLXMEFPZSKQ-LBPRGKRZSA-N	237.412	4.645	0	10	BJAE	
CCSc1cccc(N[C@H]2CCCC2(C)C)c1	689703725	ZFHPNXJZHOZWMJ-AWEZNQCLSA-N	249.423	4.789	0	10	BJAE	
CCc1cc(N[C@@H]2[C@@H](C)CCC[C@H]2C)ccc1F	690102772	QJGIYXSCNZTYIU-ATCWAGBWSA-N	249.373	4.625	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CCC(C)(C)C	691170715	WDDYFCMELAINBW-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
O[C@@]1(C2=CCCCCCC2)CCC12CCCCC2	694427864	DTRYAHARQHODBE-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](Nc1ccc2c(c1)CCCCC2)C(C)(C)C	695769754	MDPFGDZILWJHKO-CYBMUJFWSA-N	245.410	4.802	0	10	BJAE	
CCCc1ccc([C@@H](C)NCC[C@H](C)CC)cc1	696175489	PYBPCYJLHIBYSJ-HUUCEWRRSA-N	247.426	4.726	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC(C)(C)CC)C1	697258149	HIZCHSMKPOCJES-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCC[C@H](O)[C@]1(C)CC[C@H](C)C1(C)C	697596289	BANDTUAFYVIUOR-DZKIICNBSA-N	238.415	4.556	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	697845309	PSXKCVJSJPJURD-HRCADAONSA-N	248.410	4.908	0	10	BJAE	
CCCCC[C@H](NC)[C@]1(C)CC[C@@H](C)C1(C)C	699021438	GZICVIPBBIXJMO-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	699050348	IVGUHIWOHVACTE-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	699051403	LYNYOYDMAWKERR-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)NCC1CC(C)(C)CC(C)(C)C1	699523769	FPAAHNKMCWVNTF-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H]1C[C@@H]1C(C)(C)C	699839780	XTNFHEUNKBHHSO-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@]2(C)CC2(C)C)cc1	702142651	UMAXWTMSVSNTJW-QGZVFWFLSA-N	244.378	4.648	0	10	BJAE	
C[C@](N)(CCC1CCCCC1)CC1CCCC1	704900805	BGBYEPAROULGAN-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(=O)c1ccc(S[C@H]2CCCC[C@@H]2C)cc1	704910752	VYPRUZLTMUVYCB-NHYWBVRUSA-N	248.391	4.560	0	10	BJAE	
CC(C)c1ccc([C@]2(N)CCCCC[C@@H]2C)cc1	704941214	LDJWADMTDYDKCD-YOEHRIQHSA-N	245.410	4.564	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC(C)(C)C[C@H]1C	704948001	APMQEZQPVAGSNM-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H]1CCCC[C@H]1C	704952805	JBZWETLTMAJNMH-UKRRQHHQSA-N	227.351	4.701	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)CC1CCCCC1	704959847	OSZOIJCLVRWCAE-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)CC1CCCCC1	704959848	OSZOIJCLVRWCAE-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@H]1CCCC12CC2	706300859	YWEYMVHYGXPHRP-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNCC[C@H]1CC=CCC1	706771488	DCKZDTWOFGGIIR-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC([C@@H](N)[C@H](C)CC(C)(C)C)CC1	708316152	YIXYLNZMTPRYSM-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@H](NCC[C@H]2CC=CCC2)CC(C)(C)C1	708807835	LPIMJESSJKDGEP-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1cccc(C2CC2)c1	709663324	ABUNIHSELQYXLN-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C12CCC(CC1)CC2	710231855	WSIYLXFCVKOATB-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)C12CCC(CC1)C2	710982643	WXQWXUBPVYDKLA-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C[C@H](O)c1cc(C)cc(C)c1)C(C)(C)C	711085732	FMSIFIWOMZDHOZ-CVEARBPZSA-N	248.410	4.799	0	10	BJAE	
CC[C@@H](C[C@@H](O)C1CCC(C)CC1)C(C)(C)C	711176239	DKOXXBPCTJKBIX-PFSRBDOWSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](CC(=O)[C@@H](C)CC(C)C)C(C)(C)C	711180871	SMGYWONSNPJRSF-STQMWFEESA-N	226.404	4.700	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CC(C)(C)CC[C@@H]1C	713040385	AWCCUDYQVDFBOA-YDHLFZDLSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cccc(C(C)(C)C)c1	713265289	XYGFYQXENODHRJ-OAHLLOKOSA-N	247.426	4.810	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@@H](C)C(C)(C)C	713693941	JBJXTZBGWVRHPT-SPZIKGKASA-N	237.431	4.559	0	10	BJAE	
CCNC[C@@]1(CC(C)(C)C)CCC=CCCC1	719002423	FRROCDQJFKAWLY-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CCC(=O)CC1CCCCC1	719151877	VGPAOOZIAQVGTR-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
Cc1sc(C)c([C@@H](O)CCC(C)(C)C)c1C	722499087	RZGBMQHMKBKUAJ-LBPRGKRZSA-N	240.412	4.533	0	10	BJAE	
CC(C)C[C@H](C)CSc1cccs1	1652606286	GTASPQSATCMYJA-JTQLQIEISA-N	214.399	4.522	0	10	BJAE	
CCC[C@H](C)CCNC[C@H]1CCC[C@H](CC)C1	1656860616	AYIFWNLVODEFGH-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)N(Cc1ccccc1)[C@H](C)CC	1880413502	OAWGZQOVPWMPLA-XHSDSOJGSA-N	247.426	4.722	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC(C)(C)CC1=O	1900711924	GJFUDOVXEXCJAS-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC(C)=CCC1C2CC3CC(C2)CC1C3	1900904736	XSOCNLGUUDAORQ-UHFFFAOYSA-N	218.384	4.805	0	10	BJAE	
CCC(C)(C)CCC(=O)CCC[C@H]1C[C@H]1C	1902189931	OZOUBCPIEABQCK-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC(C)=C(C)CCC(=O)CCC[C@@H]1C[C@H]1C	1902193286	MYJZQKFNABUEDO-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](CC)CC[C@]1(C)CCCCN1	1902204419	OIVAHZQSQPKTMA-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](CC)CC(C)(C)C[C@@H](C)NCC	1905445078	ORKUKEMNTINCLA-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H]1CCC(C)(C)CCC1=O	1908066292	FTIDFOFGHJBEIU-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC[C@@]12CCC[C@@H]1C2	1908425369	XSKVOUDDRVRYTN-MLGOLLRUSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC[C@@]12CCC[C@@H]1C2	1908808743	NHNJRMHVRTZJCJ-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](NCC)C(C)(C)CCC	1910733766	HIULBUBDDDXIKQ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC1(N)CCC(C)(CC)CC1	1910817816	UIVPQSHCMFUZOF-QVOMUQBLSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1N[C@@H]1CCC2(CCCC2)C1	1916404727	BZZDIUVVTNXKQF-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CCC1(CN)CCCCCCC1	1921563087	MTNMBJGEGGUEHI-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
CC1(C[C@](C)(CO)C2CCCCC2)CCCC1	1923904468	LFMXBKDRVBPDIK-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
COc1cc(C)cc(C[C@H]2C=CCCCC2)c1C	1925869596	KGKLCNUWKCFTQO-HNNXBMFYSA-N	244.378	4.601	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1CC[C@@H](C)C1	1925944443	DWUFQAIXUCJGMP-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C[C@@H]1C=CCCCC1	1925947523	BIYQGRJNELKWPE-BZUAXINKSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)CCNC1(C2CCCCC2)CC1	1926182135	IPJRXSREKWVWDO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C(C(C)C)C(C)C	1937161940	PJKTTXAEOKBBEQ-CYBMUJFWSA-N	226.404	4.556	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1CCC[C@@H](C)CC1	1939898890	LVEWOCPGPVOGCU-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1ccc(Oc2cc(Cl)ccn2)cc1	1940367831	XXOKZBXSYFGYJE-UHFFFAOYSA-N	247.725	4.651	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC[C@H]1CC1(C)C	1940856438	OEPAMJKEMXSPAZ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](O)CCCC(C)(C)C	1941242780	GLHFJQWLOPUFSE-LSDHHAIUSA-N	242.447	4.882	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1ccc2sccc2c1	1941264524	MJMSZBXGMYNSGB-DZGCQCFKSA-N	247.407	4.583	0	10	BJAE	
CCC[C@H](C(=O)c1cccc(C)c1C)C(C)C	1941266070	ZIWUIDLAGJVIQL-AWEZNQCLSA-N	232.367	4.558	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H](CC)C(C)C	1941267025	MXUDJYVYEVUVSN-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CCCC2CC2)CC1	1941583761	IPYYJFNSGODGSB-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CC(CC2(N)CCCCCC2)C[C@H](C)C1	1944176215	RJHQZKYTMNRDDD-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC(C)(C)C1)CC(C)(C)C	1945580290	XJHQMDJPZPQWER-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CCC(C)(C)C2)C1	1945584164	RGIPTVLDGNHXKI-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC[C@H]2CC[C@H]1C2	1947113809	ZNGHPHDJBZUILU-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCC[C@H]1C(C)C	1947466889	JXASYLWSZQIFPJ-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCC1)C(C)(C)CC	1947583221	XVKCVXDOLPQOTM-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)cs1	1948597216	WSLCFMUPNUNQBW-GZBFAFLISA-N	249.423	4.827	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CCC(C)(C)CC)C1	1949016139	FLQSEZCQYHQIGE-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
C[C@H](c1nc2c([nH]1)[C@H](C)CC[C@H]2C)C(C)(C)C	1949762833	UAXJSYPLSMYCIM-GMTAPVOTSA-N	234.387	4.560	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)[C@H]1CCCC(C)(C)CC1	1950913122	DULNSFMTWLWXMT-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@]1(C(=O)O)CCCC(C)(C)CC1	1950913148	DXMJOMQUTGKBNY-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2CCCCC2)CC1	1950929455	HFNJPIAIADZDLS-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@@H]2CCCC[C@H]21	1967700406	XSNQKCGECFBQSC-MWDXBVQZSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H](NC1CC(C2CCCCC2)C1)C1CCC1	1967793937	HTNXKYBDQGBPGT-OFLPRAFFSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC3(CCC3)C2)cc1C	1968254335	FLMMLMJGVSXPID-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
Cc1cc(F)ccc1NCC1C[C@H](C)C[C@@H](C)C1	1968361780	RBUAFXPAJWJGTC-VXGBXAGGSA-N	249.373	4.618	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2CCC3(CC3)C2)cc1	1968401626	NPYSVHYKSOSVRC-CQSZACIVSA-N	244.378	4.769	0	10	BJAE	
C[C@@H](NC1CCC2(CCCCC2)CC1)C1(C)CC1	1970894967	GHOHHFUEDRCXIQ-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](NCC(C)(C)C1CCCC1)c1ccco1	1971682190	XYSNIDQQDYWURU-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CC[C@@H](NCC(C)(CC)CC)C1CCCCC1	1973316282	SDVGHUUNUJJOJY-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](NC1CC[C@@H]2C[C@H]2CC1)C1CCCCC1	1973358065	IFKFFZPOADOWPV-INMHGKMJSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C)(CN[C@H]2CCCCC23CCC3)C1	1973677376	XTPNYQBONXZFQK-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC(C)(C)C)CC1	1976342913	QZXCEIVGPMJAOS-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)CC(=O)C1(C)CCCCCC1	1978449862	GPFBNWOFIZFNCR-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)[C@H](C)CCC	1978647893	BPYLTSCRWMIPBP-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
C/C=C/CCCc1ccccc1C1CCC1	1984606173	KMILJAGPBOYBEY-NSCUHMNNSA-N	214.352	4.853	0	10	BJAE	
CCCN[C@H](CCC)CCC1(CC)CCC1	1988432284	CQVLHAWHXHEADI-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@H](CC)Nc1cccc(Cl)n1	1990098230	MLYDNYMOTGZWIT-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CCC(=O)CCC1CC(C)(C)CC(C)(C)C1	1994026455	QDJCMLHRWZZBGH-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC=CCNc1ccccc1SC1CC1	1996556585	YLUSKVNPFQLOIU-UHFFFAOYSA-N	247.407	4.709	0	10	BJAE	
CCCC(C)(C)[C@H](NC)[C@H]1CCC[C@H](CC)C1	1996612394	YCTDYVMZAPRHRP-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@]1(O)CCCC2(CCCCC2)C1	1996648108	VWGIARABPMWQKM-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H](C)CC(C)C)CC1	1997116095	JDRKGGCILLAVJC-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)[C@H]1CCCC(C)(C)C1	2000161799	HWMOIGSNOXUWRF-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C1(C(C)C)CCC1	2000391102	UIJQUDIESLGIHY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)CC1(C)CCC1	2000519447	WZOUNZMKSWTYBS-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@]1(C)C[C@H]1NC1CCCCCCCC1	2003096939	BMWQEMVXQGGSQC-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H](C2(O)CCCCCCCC2)C1	2003110107	AWKKDLGCHOWZQG-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@H](NCCC)[C@]1(C)C=CCCC1	2003325372	XZNXEBBKLKOCRB-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CCCC(=O)C1CC(CC2CC2)C1	2003490522	CBTHEGZWYXWYIC-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@H](C)C(C)(C)C)c1	2003630147	VIPQOKYEQFNMMM-CYBMUJFWSA-N	232.367	4.640	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H](CC)C(C)(F)F	2004475640	GPZJRMAMIITRNF-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCC(CCC)CN[C@@H](C1CC1)C(C)(C)C	2004717008	DLWJAGYNFQURGP-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC(=O)[C@H]1CCCCC12CCC2	2005566838	YILHALFRAUVFJK-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@@H]1CCCCC12CCC2	2005600932	PBMRNZTZRVABOG-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H]1CCC(C)(C)CCC1=O	2009403337	BDKGSMXHJJOUOZ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H]1CCC(C)(C)[C@@H](NCC)C1	2009616893	NEVLEFLJZOHQMO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@](C)(N)C1=CC[C@H](C(C)C)CC1	2010737188	ILGCYAVIKWVDBX-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
C=C=CCC[C@@H](NCCC)C(CC)(CC)CC	2010986282	XIINBDWPBVADAT-OAHLLOKOSA-N	237.431	4.692	0	10	BJAE	
CCCCCC[C@](C)(N)CC[C@]12CCC[C@@H]1C2	2011019493	LQHCWXYRGOXYIQ-PMPSAXMXSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCC[C@H]2C[C@H]2C)C1	2011571911	LRICCTCWUAYIRZ-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(=O)C[C@@H]([C@@H]2CCCC(C)(C)C2)C1	2012080616	FWZQMOGNZMJYBA-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)NC1CCC(C)(C)CC1	2013264744	PLHVRGZDZSRUFU-CQSZACIVSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](N)(CC)CCC(C)C	2013275160	YCHHDBSJROQCEN-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CC(C)(CC[C@@](C)(N)C1(C)CCCC1)C1CC1	2014322319	AHKXHLMQYIEIHY-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H](CC(C(C)C)C(C)C)NC	2015277111	DXNUGKIVIIQKMW-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@](C)(O)CCC(C(C)C)C(C)C	2015333493	CODGWKPJOPCGQT-INIZCTEOSA-N	242.447	4.882	0	10	BJAE	
C[C@@H](CC(=O)C1(C(C)(C)C)CCC1)C(C)(C)C	2017132789	JKAIQVHQSLOODW-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H]1CCCC1(C)C	2017476732	AHPIIDXZYQQECT-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C[C@H]1CC[C@H](C)CC1	2017724177	XBTRRVJGRABIOB-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H](CCCNCC(C)C)CC1	2017729455	WYCMVSLSXVALLH-WKILWMFISA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCCCCN2)CC1	2017734965	STOZXYCYCSHOEF-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CC=CCC2)CC1	2017768185	PXFRPIVUEDAWRN-YMAMQOFZSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)C[C@H]1CCNC2(CCCCC2)C1	2018644368	BWETWTXPWQIOSK-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](CC)(CNC)CC1(CCC)CC1	2018981471	CLLKHDVXJUHYJJ-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](C)N1CCC[C@@H]1C1CCCCCC1	2019306571	YENSNXXAKCJTAG-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CC[C@@H]1CCCCCN1CCCCCC(C)C	2019342365	LZELVQYFZWHFJM-MRXNPFEDSA-N	239.447	4.857	0	10	BJAE	
CCC[C@H]1CCCCN([C@H](C)CCC(C)C)C1	2019409486	QZPCLBAFRKSTJP-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CCCN(CC(C)C)C[C@H]1CC[C@H](CC)CC1	2019482725	ZCPSFXPIPDNHGD-WKILWMFISA-N	239.447	4.571	0	10	BJAE	
CCCCN(CCCCCC1CC1)C1CCC1	2020635535	NPPNILBUONQPSH-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@@H]1C1CCC1	2022316124	ORDXGUCLXRNGNT-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](O)[C@H]1C[C@@H]1C1CCCCCC1	2022345753	GECLKVKAEURPKZ-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CSc1cccc(NC[C@@H]2C[C@@H]2C(C)(C)C)c1	2022477215	JBQLWNUJYARSHE-FZMZJTMJSA-N	249.423	4.503	0	10	BJAE	
CCC(CC)C[C@@H](CCCCC(C)(F)F)NC	2023294220	GUIRXUDWFYGCOW-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC(C)Cc1oc2ccc(C(C)(C)C)cc2c1O	2028132594	VFIWYDZHPOQNJW-UHFFFAOYSA-N	246.350	4.634	0	10	BJAE	
CCC[C@@H](C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CC2)C(C)C	2028258009	OACJFIQJFPRDNI-YHUYYLMFSA-N	248.410	4.620	0	10	BJAE	
Cc1ccc([C@H](N)CCCCCC2CC2)c(C)c1	2028631703	RHQJKGHCDTYADS-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CN(CCCCCC1CC1)[C@H]1CCCC2(CC2)C1	2028645004	PLIYDGDAOKPDTE-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C[C@@H](C)C1CC1	2032159413	PHTSRLKCPAPBRS-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)Cc1cccc([C@@H](N)C(C)(C)C(C)C)c1	2032344420	QZFFPCGIYWDPMI-MRXNPFEDSA-N	247.426	4.567	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)c1ccccc1C1CCC1	2033558570	PILPLCHFWPRWNR-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H]2CCCC[C@H]21	2035405815	YJVBXPXXGLUISF-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](C[C@@H]2C=CCCC2)NC)C1	2035599819	JWRSKGBJMOZKRP-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@@H]3CC[C@@H]3C2)CCCC1	2035886557	MOXGHHWZLKQDBI-QLPKVWCKSA-N	249.442	4.658	0	10	BJAE	
CCCCC1CCC([C@@H](N)C2CC3(CC3)C2)CC1	2036182874	SBRVVLRWYYEYHB-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@H](C)[C@H](C)CC(C)C	2036385179	UHSRRQWFLCVQPO-OAGGEKHMSA-N	247.426	4.716	0	10	BJAE	
C[C@@H]1C[C@H]([C@H]2CCC(C)(C)C2)Nc2ccccc21	2037694716	OJHUQPVMQODXNB-DVOMOZLQSA-N	243.394	4.801	0	10	BJAE	
C[C@@H](c1ccc(N)cc1)[C@H]1CCC2(CCCC2)C1	2037695105	QEMMLIFMQKTBHC-ZFWWWQNUSA-N	243.394	4.733	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@@H]1CC12CCCCC2	2038996454	KYWIRCGVNNQESI-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc([C@H](O)[C@H]2CCC[C@H](C)CC2)c(C)c1	2039359984	ORKTULBUWCIWDQ-YLQAJVPDSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCC[C@@H](C)CC2)cc1C	2039373950	JRKDCZHMMKBPER-DOMZBBRYSA-N	244.378	4.703	0	10	BJAE	
CC1(CC(=O)CC23CCC(CC2)C3)CCCCC1	2039422717	WZLNGKCCQXPQMV-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCC3(CCC3)C2)CC1	2041289836	LONRMXZLCSITLQ-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@]1(C)CC=CCC1	2042018062	AXXHFCVSNDEJAI-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)C1(C)CC=CC1	2042020117	UTBIFBCJEKUXOM-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)(CNC[C@]1(C)CC=CCC1)C1CCCC1	2042073238	XWNKFRDXNWCBGJ-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@@H]2CCC=CCCC2)C[C@H]1C	2045316873	HPVYXMLBMLVLTD-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1[C@H]2CCCCC[C@H]21	2048366824	UGYICPBCWMDDNZ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)C[C@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048436454	RUZMYKAXAHMHCH-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@H](C)[C@H]1CCCC(C)(C)C1)c1ccco1	2049528957	MVGLCMVQLITSSQ-MCIONIFRSA-N	249.398	4.535	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2CCCC3(CC3)C2)C1	2049853522	HGNFKQZNZQQIDK-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCCC2(CC2)C1)C1CCC1	2049867391	UUMCMXJSCZGYNF-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC1CCC(C)CC1)[C@@]1(C)C=CCCC1	2049997763	PZXRVLOOBNUDCJ-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CC[C@@]1(C)CCCN(C[C@H]2C=CCCCC2)CC1	2051605092	UVLMVJQHHSVGJL-IRXDYDNUSA-N	249.442	4.635	0	10	BJAE	
CC(C)(C)NC[C@@]1(C2CCC2)CCCCC12CC2	2053358262	KBCJNJLTFDWSRK-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](Nc1cnccc1C(C)C)C1CCC1	2053856255	KSXOAHZGGHUGCL-HNNXBMFYSA-N	246.398	4.586	0	10	BJAE	
Cc1cc(C(F)(F)F)cc(C(F)F)c1Cl	2054886990	FUEHJULKPHXSNB-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C1CC(C)(C)C1	2056883409	NYVYUIVIZOXLPT-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@]1(C)C=CCCC1	2059181529	UIHNGGOQBXOQEG-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC=CCCCC(=O)c1ccccc1C1CCC1	2059196900	DRWAUVCNESWKCE-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
CCCCCC1CC(Nc2ccc(F)c(C)c2)C1	2059398040	PVWIGDQAEJTMSG-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(C(C)(C)C)CCCN2)CC1	2061090169	YRRKTQYRMYHMIO-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
C=C=CCCC1(CNCC(C)C)CCC(C)CC1	2061565331	CUXOITUOGMTGSU-UHFFFAOYSA-N	249.442	4.550	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC[C@]23CCC[C@H]2C3)C1	2061606630	MRDDGVKZYCPGCV-QEWYBTABSA-N	246.394	4.518	0	10	BJAE	
CCC1CCC(O)(CC2CC(=C3CCC3)C2)CC1	2061682091	HMUXJMKMKILSDF-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCCCCC1)CC1CC(=C2CC2)C1	2061695641	GFEGFLXGNATJLL-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CC[C@](N)(CC1C[C@H]2CCC[C@@H]2C1)C1CCCC1	2063497478	QZQMSFDMCOVPOZ-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(N[C@H](C)C2CC3(CC3)C2)cc1	2064496597	BVLKHSNXYOWPBV-CYBMUJFWSA-N	243.394	4.801	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cccc(C(C)C)n1	2066359961	VASAOTSCIUBLHV-DZGCQCFKSA-N	246.398	4.586	0	10	BJAE	
C[C@H](NC1CC(CC(C)(C)C)C1)c1ccccc1	2067983292	QZQDOMBCXFRFDN-HLIUYOAVSA-N	245.410	4.552	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@H]2CC=CCC2)CCC1	2069334418	DCAODYJGDPHYOG-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CC2(N)CC(C3CCCC3)C2)CCC1	2069341057	AWRILUAYYMUCKM-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@H](N)c2c(C)coc2CC)CCC1	2069344940	PMYUTOFPQMEMGO-ZDUSSCGKSA-N	249.398	4.511	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C1(CC2CCC2)CC1	2069586893	JVZWMFFKCNYGHC-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@H](C)C2CC=CC2)CC1	2070798322	ZXJUVLNSDUAPQP-LXTOLFJKSA-N	249.442	4.536	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](NC)[C@@H]2C=CCCC2)CC1	2072793800	NVHHJVOFTHGRER-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(N)C[C@@H]3CC[C@H]3C2)CC1	2072805653	DSTKCBGIIKFGTG-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@@]12CCCC[C@H]1C2	2074028570	ICAKFYFAXVUFIM-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C1CCC2(CC1)C[C@H](CCC1CCCC1)CCN2	2074133503	MLAHUBIBTGDFBY-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCC1(C[C@@H](C[C@H]2CCC23CCC3)NC)CC1	2074648063	FADKCARKXAHZHC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(CC)c2cccc(C)c2)C1	2074893583	VQUNCUDTMODWPE-NVXWUHKLSA-N	245.410	4.790	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@@H]2C2CCC2)CCCC1	2079424865	QINLVPAELYFSHV-IAGOWNOFSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)C[C@@H]1C[C@H]1C1CCCCC1	2079833886	YVEKDPYLCSSXKK-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
FC1(CCNc2cccc(C3CCC3)c2)CCC1	2084767141	MEZCKDLQZSFRDV-UHFFFAOYSA-N	247.357	4.648	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]2CCC[C@H]1C2)C1CCCCCC1	2086155344	CAWIVPWURYPMET-YQFWSFKMSA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCCc1ccc(CC(C)C)cc1	2210479139	ABOYHGDTHAVRLX-SNAWJCMRSA-N	216.368	4.784	0	10	BJAE	
CCCC[C@](CC)(CN[C@@H](C)CC)C(C)C	2212577037	SGFIMQDDLTYDQP-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)CC(CC)(CC)CN[C@@H](C)CC	2212588479	OIPQZOXRGPSMIT-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](O)CC1C[C@H]2CCC[C@H](C1)C2	2213275620	PRMLGOPHXKXVOP-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CN(CCCCCC1CC1)CCCC(C)(C)C	2213529904	BSUNJIZLBSQQBX-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC(C)C1([C@H](O)CCCCCCC2CC2)CC1	2213578532	NFWJFZWYDDHLGM-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)CCCCCCC1CC1	2213578785	PXNGVJBBXZDJIF-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC(C)(C[C@H](O)C2CCCCCC2)C1	2215384666	LFUQYOUXUHPSDA-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC1(C)CC(C)(C)C1	2215397372	CBOXIEJVWHLOLI-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@]1(CC(C)(C)CC)CC=C(C)CC1	2215834157	MSNSUDTWNSOIGD-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](C)C1(CN[C@@H](C)CC)CC(CC)C1	2217154756	WURRUCYEINNZHN-FXQLRMTLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218382866	OFJNQXOMTZCKCE-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
NC[C@H]1CCCC2(CCC2)[C@H]1CCCCC1CC1	2220046552	OFCMEIAFHFKYQU-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)CC1(C)CC2(CCC2)C1	2221027174	DEXXALSNFVVXSB-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1C)[C@@]1(C)CC=C(C)CC1	2221628344	CULQLBDTCVWVMW-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC[C@H]2CC=C(C)CC2)C1	2221665116	DTRQDIAVQKMLFU-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C(CCCC1CC1)CCCN1CCCC12CCC2	2223117965	LORYGKRIRHJIMR-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CC(C)C)c1ccc(C)cc1	2223598554	PSDAYGPGXKBACT-NVXWUHKLSA-N	247.426	4.513	0	10	BJAE	
CCC(CC)(CC)C(=O)c1csc(C)c1C	2242614602	FJLKOENOZUCZMM-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCOc1ccccc1Cl	2243041093	XBNNTVGXBQQVST-RYUDHWBXSA-N	238.758	4.545	0	10	BJAE	
CCCCN(C)CC[C@@H](C)CCCC(C)C	2244841294	OLOWGOXJQREDAK-HNNXBMFYSA-N	227.436	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CC[C@@H]1CCC[C@H](C)C1	2246664462	IIXMHZIQJCCMDF-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](O)(CC[C@@H]1CCC[C@@H](C)C1)C1CC1	2246689143	GBGWYKWUNGGCMQ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CCC1)NC(C(C)(C)C)C(C)(C)C	2247722930	PXDUOWOGRBNKHS-LBPRGKRZSA-N	239.447	4.616	0	10	BJAE	
Fc1ccc(Cl)c2[nH]c([C@H]3CC34CCC4)cc12	2248305390	AOHKWYXDQNRROU-SECBINFHSA-N	249.716	4.618	0	10	BJAE	
CCN[C@@H](c1cc(C)c2sccc2c1)C(C)C	2248568477	ZAVGOJREYSRRON-CQSZACIVSA-N	247.407	4.516	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CCCCC[C@H]1C[C@@H]1C	2248809253	RAKSLKZTVDOMHE-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)N(C)CCCCC[C@@H]1C[C@@H]1C	2248837790	GQSCVVQDJGOUKF-XHSDSOJGSA-N	239.447	4.713	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@@H](CC)CCC	2250365864	JOWUCAPHMNHQQR-JKSUJKDBSA-N	237.431	4.703	0	10	BJAE	
CCC[C@@H](CC)[C@H](C[C@H]1CC[C@H](C)CC1)NC	2250369149	FRNBGVXKDSDYET-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CC[C@@H](C)NC1	2250478127	FLIZCXSZRFPNFR-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(CN)C1CC1	2250491474	PKETUCCTGJIXIE-ZBFHGGJFSA-N	239.447	4.604	0	10	BJAE	
CC(C)=CC[C@H](N)CC1CC(CC(C)(C)C)C1	2251492972	OJHXLMTXDRKFFW-NRXISQOPSA-N	237.431	4.523	0	10	BJAE	
CC1(C)C(C(=O)C[C@@H]2CCCCC23CC3)C1(C)C	2253802521	UQPAIQKDCWOBTD-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)(NCC[C@H]2CCC[C@@H](C)C2)CC1	2253950778	GGMXIUZDNTVRKO-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](C)c2ccc(N)cc2)C1	2253967239	FTWGJOZEUADDLR-KFWWJZLASA-N	245.410	4.979	0	10	BJAE	
CCCC1([C@H](N)CC2CC3(CCCC3)C2)CCC1	2254052537	BCHAYLAETXBDOK-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](NC1CC2(CC(C)C2)C1)C1CCCC1	2254154470	OWBWAIMBCPVQAO-LYOOIAODSA-N	249.442	4.514	0	10	BJAE	
CC1CC2(C1)CC(Nc1cccc(C3CC3)c1)C2	2254217845	OJCGYNUMHANPCR-UHFFFAOYSA-N	241.378	4.555	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CC(C1CC1)C1CC1	2254590863	XKSYFEBAJLUQFI-DOMZBBRYSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc([C@H](N)CCCC[C@H]2C[C@@H]2C)c1C	2254591215	LUZYBPMJUHIZGU-JLJPHGGASA-N	245.410	4.520	0	10	BJAE	
CC1(C)CC[C@@H]1CN1CCCC12CCCCCC2	2254974452	QKMQWFQLTWQFMO-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	2255020500	ZQDOYZJOEIVUGM-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@H]2CCC23CCC3)C1	2255026239	PYKIDLSZEPYVTE-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCn1ccc2ccccc21	2257310589	HPOUTEGUWGRKCA-HOCLYGCPSA-N	241.378	4.858	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)CC1(C)CCCC1)C2	2259580088	FJLWNLJMPKWDMO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1CC2(CC(C)C2)C1	2259591228	FUYXTYOJVURSDA-PYCMUAIMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@@]12CCCC[C@H]1CC2	2260549950	QSNZSETYTJWOCO-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@]12CCC[C@@H]1CC2	2260598849	COJPBVJFXQPMAH-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC([C@H](N)C[C@@]23CCCC[C@H]2CC3)C1	2260604654	NKIMSQPVJMXPHP-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@]23CCCC[C@H]2CC3)CCCC1	2260672184	OFDDMEBDWKQCNR-BHYGNILZSA-N	249.442	4.645	0	10	BJAE	
CCC1(CC)CC(N)(C[C@@]23CCCC[C@H]2CC3)C1	2260677003	CBXITNXROFRMGE-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C[C@@H](O)[C@H](C)CC1CCC1)CC(C)(C)C	2298916478	NMHBEGUKNZDRIO-UMVBOHGHSA-N	240.431	4.636	0	10	BJAE	
CCCCCCC(=O)c1ccc(C)c(CC)c1	2299663970	ZALYBVRFBQKYJO-UHFFFAOYSA-N	232.367	4.711	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)CC1CCC1	2300684045	PVNDZMOQEJJTOO-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1(C2CC2)CCCC1	2300703699	JFPYREJCZWIVLY-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCC[C@H](CC)C1	2300705707	HERVTJLYGWSCAF-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
CCC(C)=CC[C@H]1CCC(C)(C)CC[C@@H]1NC	2300900199	VUKFULOVWRZIFJ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC([C@@](C)(O)CC2CCCCCC2)C1	2301134854	CXWYEUHCYHYOQR-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H](N)C1(C)CCCCCC1	2301863319	CCFPYUYSMSKGIM-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
C1=C(CCCNC2CCCCCC2)CCCC1	2301938849	PKQCBGSGWJRLAX-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
CC(C)=CC[C@H](N)c1cccc(SC(C)C)c1	2307556321	HOTZYTAUKNHJPW-HNNXBMFYSA-N	249.423	4.543	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@]12CCCC[C@@H]1CC2	2307891457	CIAGTOKVSDMPMR-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCC[C@H]1C(C)C	2307903416	PEUBWZNKJZFZJM-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(C[C@H](CC)CCC)C1	2307906781	IKSQVRPVODFRNP-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(C(C)(C)C)CCC1	2307910387	NPTRRLKOYZVLHY-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2310377609	JKPOXKKABIFPGE-JYYAWHABSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@@H](C)CC1CCC1	2313586011	BNQALSPVKKIIEI-WMLDXEAASA-N	246.394	4.501	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@H](C)CC1CCC1	2313600846	UIUFQOXMQORDAY-VBQJREDUSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](CC1CCC1)n1ccnc1C1CCCCC1	2313613270	UFLBNANBVGXHHB-ZDUSSCGKSA-N	246.398	4.682	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H](C)CC1CCC1	2313623516	VJYDENISMKLESR-ZDUSSCGKSA-N	244.378	4.648	0	10	BJAE	
CN[C@@H](CC=C(C)CCCC(C)C)c1ccco1	2316546979	JECVSRJIJXANKB-HNNXBMFYSA-N	249.398	4.703	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)[C@@H](C)[C@H](C)C(C)C	2317827055	IZLCPBVLBVQRIX-VYDXJSESSA-N	247.426	4.574	0	10	BJAE	
C[C@H]1C[C@@H]([C@@H](N)CCC2=CCCCC2)CC[C@H]1C	2317908643	BBYWHFBVMQNUHI-OHFALNGGSA-N	249.442	4.667	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@@H](C)[C@H](C)C(C)C	2317998864	VPYVTJFSVNJUGS-HLLBOEOZSA-N	248.410	4.603	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CCCC1=CCCCC1	2318546683	VIBVAPCXGUCSBN-IRXDYDNUSA-N	249.442	4.955	0	10	BJAE	
Cc1ccc(F)c(NCCCC2=CCCCC2)c1	2318551483	PYGQQGUDWFSMAV-UHFFFAOYSA-N	247.357	4.827	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@H]1CCC[C@@H]1C	2318576128	MEWLAKQAHIEOBP-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CC1CC(=C2CCC2)C1	2318927755	KSJHTMHQDJZELN-SWLSCSKDSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC[C@H](C[C@](C)(N)[C@@]23CCCC[C@H]2C3)C1	2319027079	POPQDVFJHLAVRA-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
CN(CCCC1(C)CC1)C[C@@H]1CCC=CCCC1	2319900601	BHJYUNJURQYEQP-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CC[C@H]2CC(C)C)CC1	2320333138	DQAHZROCMFUTAC-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)[C@@]2(C)CC=CCC2)C1	2321612280	ZLXZOLSXWKYSRF-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc2cc(C3CCCCC3)[nH]c12	1518963	ONRKSMACTHIGJS-UHFFFAOYSA-N	213.324	4.524	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccc(C)c(C)c2)cc1	20016309	XLGJRUPEJADMKL-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CCC1CCC(Nc2cc(C)ccc2F)CC1	20471838	CCAQVWAYMDHZEL-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCCCC[C@H](C)Nc1cc(F)ccc1C	21010446	GZMWQKJTKRNSQI-LBPRGKRZSA-N	223.335	4.515	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccccc1C	21505642	FBVJEYICUOFDDG-TZMCWYRMSA-N	219.372	4.622	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)c2ccc(C)s2)c1	21508804	GRGRJMNLDLSQJG-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
Cc1ccc(C)c2c(Cl)cc(C(C)C)nc12	36913014	WBKBJPMOLYZTRW-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
C[C@H](NC(C)(C)CC(C)(C)C)c1cccs1	37100811	QUISKFHUTLHZFP-NSHDSACASA-N	239.428	4.614	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@@H](C)CCCC(C)C)c1	37231760	JILYSQXOMDBURT-JKSUJKDBSA-N	247.426	4.860	0	10	BJAE	
CCC(=O)c1ccc(-c2cccc(Cl)c2C)o1	54106810	QVUWSWRYOKVMPX-UHFFFAOYSA-N	248.709	4.501	0	10	BJAE	
CCC1CCC(O)([C@@H]2CCC[C@H](CC)C2)CC1	71153191	ULYJKGOPYOJMTM-PWUWZPNHSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(CNc2c(C)cccc2C)cc1C	83367351	PAWZTGQCPMLWQD-UHFFFAOYSA-N	239.362	4.532	0	10	BJAE	
Cc1ccc(-c2c(C)cccc2Cl)cc1F	85389100	ZOITZWSTVPQMQW-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
CCCC1CCC([C@H](N)c2cccc(C)c2)CC1	87962456	IEMUWWHHGGNZSH-DQPZFDDXSA-N	245.410	4.601	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCCC2(C)C)CC1	94321701	INNFHBAPLBXDKO-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC(Oc2cc(C)ccc2C)CC1	130390219	SHPMQLXJRAJHBM-UHFFFAOYSA-N	232.367	4.651	0	10	BJAE	
CC[C@H](Nc1cscc1C)c1ccccc1	134324611	FCJCSZTUSRPQBP-ZDUSSCGKSA-N	231.364	4.620	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1cc(C)cc(C)c1	164139155	KGWNAHOYYKCOCT-AWEZNQCLSA-N	232.367	4.703	0	10	BJAE	
CCCCCC(=O)c1ccc(C(C)(C)C)s1	165337048	FBOOOXCVFFVPMH-UHFFFAOYSA-N	238.396	4.809	0	10	BJAE	
CCCNC[C@H](CC(C)C)CC1CCCCC1	203376958	UDLNAPQYIOACAC-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CN)CC[C@@H](CC)C1	227436257	OAMXPYUEQYAMJH-XHSDSOJGSA-N	239.447	4.748	0	10	BJAE	
C[C@@H]1C[C@H]([C@@H]2CNc3ccccc32)CC(C)(C)C1	235368904	OCVUOFOTROYWLS-IPYPFGDCSA-N	243.394	4.658	0	10	BJAE	
Cc1ccc([C@H](N)C2=CCCCCC2)c(Cl)c1	235910311	SWTMLCHUEIFKTL-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CC[C@H](C)CC2)c(C)c1	253145275	ZNDXGAPKCRGSCW-RCBQFDQVSA-N	245.410	4.533	0	10	BJAE	
CCC(F)(F)c1ccc(C(C)(C)C)cc1C	258949675	DUIVMDMAGBJCCY-UHFFFAOYSA-N	226.310	4.794	0	10	BJAE	
CCN[C@H](CCCCCC(C)(C)C)C(C)C	300861606	MCXYXLSPOHUHEW-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CCCC(C)(C)C	302280579	JEJICGROITUASH-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1ccc(C(C)C)cc1	302487954	ZKSCPYITTUFSNK-XJKSGUPXSA-N	233.399	4.636	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(O)CC1(C)CCCC1	310415731	PNNZCUKGTIERGM-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C1(CNC(C)C)CCC(C)(C)CC1	317914091	KYYYNVGESMPNGL-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)[C@@H](C)[C@@H](C)CC	318870717	LANMELQHNDUKAY-ZOBUZTSGSA-N	247.426	4.718	0	10	BJAE	
CCCNC[C@]1(CC2CCCCC2)CC=CCC1	318899785	JUJSUUPLCKUODZ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)CCC1CCCCC1	319853890	NSDPDYFYIPYKKE-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H]1C[C@H](C)c2ccccc2N1	320118798	ITRLYNNKFJNKLD-WFGGJUAMSA-N	231.383	4.657	0	10	BJAE	
CC1CCC(CC(=O)C[C@H](C)C(C)(C)C)CC1	383596222	PDKGGLMNNXLBIK-MOKVOYLWSA-N	238.415	4.844	0	10	BJAE	
CNC[C@@H]1CC[C@@H](C)C[C@@H]1CCC1=CCCCC1	384901791	AQPQZJAGGOOMMP-PVAVHDDUSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC([C@@H](N)CCC2=CCCCC2)CC1	385113785	DNUFXNGBSLSTOH-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C=C(C)C)c1cccc2ccsc12	386442870	PEFNMNUXNPJPNZ-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC(C)(C)C(C)(C)C)C1	394571086	OXQHPBHNRIJSMH-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC23CCC3)c1	394757524	BUDRBEBZHYHHIZ-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H](C)c1ccccc1	394875915	WOKIANLVUMCLTJ-NVXWUHKLSA-N	247.426	4.724	0	10	BJAE	
CCc1cc2scc(S)c2cc1C(F)F	396238109	IZJTYQOQCJBKDB-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CC=CCC2)CC[C@@H](C)C1	402260935	RVMDNFKBWBLKID-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2CC[C@H]3C[C@@H]3C2)cc1	403819076	KJORXAKUNBDVAD-KBMXLJTQSA-N	243.394	4.658	0	10	BJAE	
CCC[C@@H]1CCC/C(=C\Br)CC1	606288448	QGQRGLFGTFQQOL-OYVNLZQHSA-N	231.177	4.646	0	10	BJAE	
CC(C)C1(CNCC(C)(C)C2=CCCC2)CCC1	687271266	JYRQKQYEBIZRJQ-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C[C@H](C[C@@H](N)CCCC1CCC1)CC(C)(C)C	688367545	GHPDGNXNWWJLIT-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CCCC1CCC1)C1(C)CCCCC1	688418707	UJPBTNICOJSMGX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCc1nc2ccc(C3CC3)cc2c(Cl)c1C	690296772	XNXXEPWZXNNNEM-UHFFFAOYSA-N	245.753	4.636	0	10	BJAE	
C/C=C\[C@@H](NCC)C1CCC(CCCC)CC1	704655639	INQNKKPSVRMDSE-YGMIWGJLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CC3CCC2CC3)CC1	704885464	KPQDPYXBJSWEFV-PUJMQQBBSA-N	249.442	4.501	0	10	BJAE	
CCCC(N)(CCC)c1cccc(CC(C)C)c1	704942062	WIZSPDWCTKDYOY-UHFFFAOYSA-N	247.426	4.639	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@H]1CCC[C@H](C)C1	704957521	OVNRCDMNTBFYHH-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)c1ccccc1C1CCC1	705335153	JUVRJPGLCDMVPO-KRWDZBQOSA-N	242.362	4.573	0	10	BJAE	
CC(=O)c1ccccc1-c1ccc(Cl)cc1C	708461187	JGIKQEZXUIGAFN-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(O)CCCC12CCC2	709133147	YIPIZUKFLPPXQL-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]([C@H](C)CC(C)C)[C@H](C)[C@@H](C)CC	709273914	PLQSEAZMGGFRNR-ZJIFWQFVSA-N	241.463	4.719	0	10	BJAE	
CCc1cc(C(F)(F)F)ccc1C(C)(C)C	709860900	HSUQNROGVQBCPI-UHFFFAOYSA-N	230.273	4.565	0	10	BJAE	
CCC(C)(C)C1CCC(C(=O)CC(C)C)CC1	710110667	VFCZHQGZKAUFDM-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CC[C@H](C)C(C)(C)C)C(C)(C)C	710757685	AGGMBVRMEMYLMB-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@](C)(C[C@@H](C)C(C)(C)C)C(C)C	711176694	SNGZKUVLWQCYCS-ZBFHGGJFSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C[C@@H]2CCCC[C@H]21	712524599	OBAVLZYHIYTHKP-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CN[C@H](CC(C)(C)C(C)C)C(C(C)C)C(C)C	713270607	CYNNZDLCRNQCPS-CQSZACIVSA-N	241.463	4.575	0	10	BJAE	
C=C/C=C\CCc1cc2cccc(Cl)c2o1	713635170	SFQDCMDVBPNQHS-ARJAWSKDSA-N	232.710	4.761	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)C(CCC)CCC	713680250	AXSWYMDZKIZBAD-SCOAYWHSSA-N	237.431	4.703	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1CC(C2CC2)C1	714418401	GVXDQTZEZKKADT-GRTSSRMGSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC(=O)c1cscc1C(F)F	717198933	REGVHWXNPBNPIR-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CC1(C)CC[C@H]([C@H]2C=CCCCCC2)C(=O)C1	717536902	XVKYZTOSHDYGFD-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](C2CC3(CCC3)C2)C1	717564102	QFSPAXYPNUUXEQ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1CCC[C@H]1C	718540307	PCEKOENPPCCGAO-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCc1c(C)ccc(C(C)C)c1O	718628355	IDPXPCZNLPUKRU-UHFFFAOYSA-N	232.367	4.723	0	10	BJAE	
Clc1ccc2c(c1)Oc1ccccc1C=C2	1307297557	PAQSPBRMOMLZFA-UHFFFAOYSA-N	228.678	4.616	0	10	BJAE	
CCSCc1ccc(N[C@@H]2CC[C@@H]2CC)cc1	1659811994	BWUGTUQKHOPTQF-DZGCQCFKSA-N	249.423	4.540	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CC[C@H](CC)C1	1900693095	KLQIAQRPSRTNCS-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@@H](C)C(C)C)c(Cl)c1	1901708760	KOYQSCXGANEWKI-RYUDHWBXSA-N	239.790	4.741	0	10	BJAE	
CCC[C@H](CC)COc1ccc(C)c(C)c1	1905446370	UJULBNDEBYYMPJ-AWEZNQCLSA-N	220.356	4.509	0	10	BJAE	
CC(C)NC[C@H](C)CCCC=Cc1ccccc1	1911844789	RFLRSFVQWKHAJS-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
CC1(C)CCC[C@@H]1CNC1CC2(CCCCC2)C1	1912698094	ZTKPVNJUMFZXAX-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
N[C@@]1(CCCC2CCC2)CCC2(CCCCC2)C1	1915904530	GBFRXFNKCHBIPU-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCC(C)(C)CC[C@](C)(CNC)C1CCCC1	1924083378	KHKDJMPEXYOEAE-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)C[C@H]1CC1(C)C	1925757619	OBZADKOCBGQFLM-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@H](C[C@H]2C[C@H]3CC[C@H]2C3)CCCC1	1925819391	JZMSTBVPNRZQFN-AJNGGQMLSA-N	204.357	4.559	0	10	BJAE	
CCC(CC)CCN[C@@H](C)c1cc(C)cc(C)c1	1926179487	YGFXCPUYBNRGAA-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CCCC(=O)CC1CCC(C(C)(C)C)CC1	1936132877	MOEYUPXIGVBPLF-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)CC[C@@H]1CC1(C)C	1940852984	KDBRKBXVFZZJLT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCN[C@]12CCCC[C@H]1CCC2	1944188542	DNABNCLVOGHDDS-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@@H]1CCC[C@H]1C)C(C)(C)C	1944851001	ZFNNHBPOMLXHOA-LXTVHRRPSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1CCC(C)(C)C1	1945591819	KUMZEGYIQAHNHO-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)CC(C)(C)F	1947080459	DQSHNYQJLNHKSX-AWEZNQCLSA-N	245.426	4.709	0	10	BJAE	
CCC[C@@](N)(CC1(CC)CCC1)C1CCCC1	1948979518	PIVITFMDFGOGPV-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)[C@@H]1CCC(C)(C)C1	1949500897	IANCHYAQWZGSQV-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCC=CC[C@@H](C)c1c(C)cc(OC)cc1C	1951308149	AOCMOQKVXUPLMT-GFCCVEGCSA-N	232.367	4.772	0	10	BJAE	
CCCc1ccccc1CN(CC)C(CC)CC	1966205361	AIMBULUUDAYJQH-UHFFFAOYSA-N	247.426	4.650	0	10	BJAE	
CCCC[C@H](CC)CN1CC[C@@H]1CC(C)(C)C	1966537394	UTZIEODBNWFYBV-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCC1(C)CC(N[C@@H]2CCCC23CCCCC3)C1	1967858048	MXDXKPYRELESQN-HWOWSKLDSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(NC[C@H]2CCC(C)(C)C2)cc1C	1968255001	PUQFLVAGCGMXOU-AWEZNQCLSA-N	231.383	4.542	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](C)c1ccccc1	1968436532	NLAPROVKYUMWRZ-HOTGVXAUSA-N	247.426	4.896	0	10	BJAE	
CC1(C)CCC[C@@H]1NC1C[C@H]2CCCCC[C@@H]2C1	1969962346	XGUKGXDBLDFZAM-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CCCCN(C[C@H](C)CCC)C1CCCCC1	1970381775	ZJUVLRKZGCVUNX-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CC[C@H]2CC[C@H]1C2	1971816276	SWMYIZSMZZDHQS-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)[C@]23CCCC[C@H]2C3)C1	1973100886	WKGHGUIGKAOQPU-JKIFEVAISA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)CN[C@@H](C)c1ccc(C)c(C)c1	1973316029	PKHXXUMBJNKHCH-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
C/C=C/CCC[C@@H](CC(C)(C)CC)NCC	1984635383	OTPCBAKJVWCUFM-MRZGDXHCSA-N	225.420	4.537	0	10	BJAE	
CC(C)(CCC1CC(=C2CC2)C1)CC(F)F	1985533335	UUAKPSJKCHVLEO-UHFFFAOYSA-N	228.326	4.948	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@@H](CC)N1	1987090111	KYYVLKHHYMAHFA-ZNMIVQPWSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC1(CCC)CC1	1990618111	JZNVBRXAVKPLPG-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](O)C[C@H]1CCCC(C)(C)C1	1994034234	PCPKFDKJIRIZFT-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCC1(C)CC1	1995265429	ZAGYKRMJTASQCL-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](NC)[C@@H]1CCC[C@@H](CC)C1	1996612391	YCTDYVMZAPRHRP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@H]1C=CCCC1	1998377058	IXPBLAYFMKAAOO-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CC[C@H]1CC(C)C	1998759727	PLBJLQVPSJNNFC-VGWMRTNUSA-N	239.447	4.616	0	10	BJAE	
O=C(CC1CCCC1)C[C@@H]1CCC=CCCC1	1999978941	KJZDQHLECSCPON-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCN[C@@H](C(CC)CC)C1(C)CCCCCC1	2000372102	KVHCREXYZCGCDL-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC1CC=CC1)C(CC)(CC)CC	2000375701	FXLBLMKTBYVYFD-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC)c1ccc(C=C(C)C)cc1	2001500205	XYNJGSXYPZDENP-MRXNPFEDSA-N	231.383	4.561	0	10	BJAE	
CSc1ccc(NC[C@@]2(C)CC=CCC2)cc1	2001700432	SDUUDGVZIYMRIG-HNNXBMFYSA-N	247.407	4.567	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)C1CC(CC)C1	2002310108	ZREUSZZPZQNPNN-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@@H]1CCCC2(CC2)C1	2003218220	PNRULVDLQVXYMC-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC1CCC2(CC1)CC2	2003222718	YPKGFGPOWBJFLH-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@]1(C)C=CCCC1	2003319941	DLDKYEVVTCPQSN-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2004198142	QELUJFHWOVKBGE-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NC1CCC(C)(CC)CC1	2004340768	DFQGINBHWHLZPG-WXLSXGNJSA-N	239.447	4.760	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCC2(CCC2)C1	2004712119	QFAKMNWBOXRIOZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CCCCC1(C)C	2005585050	BNWZLPRFPTXPRJ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1CCCCC12CCC2	2005593049	XZEPUPVTKCWPER-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
C/C=C/CCCC(=O)[C@]12CCCC[C@H]1CCC2	2009567086	MEQATSJVXMPKNN-JCSQBOLZSA-N	234.383	4.662	0	10	BJAE	
C/C=C/CCCNCC1(C)CCC(C)(C)CC1	2009597767	HHCGWNWKQKRLIC-AATRIKPKSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCCN(C)C1CC(CCCCC)C1	2009781148	HSFWGRNBDOEDGP-GQCTYLIASA-N	237.431	4.633	0	10	BJAE	
Cc1ccc(Cl)cc1NCC1CC(=C2CC2)C1	2011083990	XDCLRWSJQQNKGD-UHFFFAOYSA-N	247.769	4.561	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@H]1C=CCCCC1	2013270280	HFAVSQYALABJSO-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CC(C(C)C)C(C)C	2015283707	GZFGMNHTQFEAIM-HOCLYGCPSA-N	241.463	4.704	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H](C)C(C)C)CC1	2015383937	PXJQCPMXYQMWOQ-NFOMZHRRSA-N	238.415	4.844	0	10	BJAE	
CCCC1(C[C@]2(O)CCC[C@H]2C(C)C)CCC1	2015630643	BCRFOXFHACYNFG-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C[C@@]2(N)CCCCC[C@H]2C)CCC1	2017141172	AZFLKMDRAOYNSK-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](O)(CC)CC1CCC(CC)CC1	2017651196	QNDDHUIUHKRHEM-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)[C@H]1CC[C@H](CCC)CC1	2017655317	LZWZRDQHBBIHGM-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCCC(=O)[C@@H]2C)CC1	2017776971	XAFVEZBCGPELLB-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C1CC1)C(C)(C)C	2018127889	PWKMTPKKYWCXDC-CABCVRRESA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)C1CC(C)(C)C1	2018137869	ZODNDQIDLVVION-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
Cc1cccc(NC[C@]23CCCC[C@H]2C3)c1Cl	2018586554	FIEVVGPZDCRPCZ-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)CC1(CC)CC1	2018989388	FDFWEDMRLQANRU-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCCN(C(C)C)C1CCC(CC)CC1	2019162060	AMAQAHMNNHWYAU-UHFFFAOYSA-N	239.447	4.856	0	10	BJAE	
CC(C)C[C@@H](C)N(C)[C@H](C)C1CCC(C)CC1	2019297442	LFPJPYPZQQHJHI-LVDPKSTMSA-N	239.447	4.568	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N1CCCC12CCCCCC2	2019384019	BNYVUSNHBIPQPT-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2C=CCCCC2)C1=O	2020392950	NEKMYYDQJFKHMV-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H]1C[C@H]1CCC	2022567667	IHNCKLWRZZXPHM-OAGGEKHMSA-N	239.447	4.713	0	10	BJAE	
CC(F)(F)CCCCCC(=O)CC1CCCC1	2023354104	VZLJZMAFKJEAOQ-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@@H]1CCCC(C)(C)C1	2024126055	VREPIEANLCIKHU-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccccc1C[C@H]1CCCCCC1=O	2027498412	FUKLYZPPBBTJMJ-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CC1(CCCN[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	2027838084	WNUUTNXVEQEIKB-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CNC[C@@]1(CCC2CCCCC2)CC=CC[C@@H]1C	2027919192	DJBCENWEEZDJKT-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
C(CCN[C@H]1CCCC[C@H]1C1CC1)CCC1CC1	2028630091	YGSAGDQWGGHHGB-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C=C(CN)C2CCCCC2)C[C@H](C)C1	2030237596	PCEASQOZHIVQRP-ZIAGYGMSSA-N	249.442	4.524	0	10	BJAE	
CC(C)=C(C)CCN1CC[C@@H]1C1CCCCCC1	2031755345	UIDMNQAVTMFWBQ-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
CC1(CN2CC[C@H]2C2CCCCCC2)CCCC1	2031759832	JMUYLRODWDIOOU-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(F)cc(NCC(C)(C)C2CCCC2)c1	2034015277	BJBYXHBEHWILJY-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CC(C)(CN[C@]1(C)CC=CCC1)C1CCCCC1	2034018962	PGHSZKXOMFXCSN-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC([C@@]2(N)C[C@@H]3CCCC[C@@H]3C2)CC1	2034161728	RBSNWDYNDJAUEL-IKIPUTRUSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1cccc(C2CC2)c1	2036358384	OFRBDXLXDNZXNB-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C[C@@H](C)c1ccccc1	2037139113	XFUWZZPXDPENAK-ZBFHGGJFSA-N	247.426	4.724	0	10	BJAE	
C[C@@H]1CC(=O)[C@H]([C@@H]2CCC3(CCCC3)C2)[C@H](C)C1	2037681227	DOEXQSRKQVYNFC-NHIYQJMISA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@H]2CCCC[C@@]23CCNC3)CCCCC1	2038649050	JQXSEVMIQKRMRD-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CC1CC2(CCC2)C1)C1(CC)CCC1	2039720505	SQTZDINJWASODS-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H]2CCCC23CCC3)CC1	2041378923	HRAKWWZEZFUJDR-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)C1(C)CC(C)C1	2045320443	MVZSGUMXKBSUBG-JCCCHCCOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CC[C@H]3CCCC[C@@H]32)C1	2045386022	UTFNMCCSNQNIRK-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](NC)c2cc(C)cc(C)c2)CCC1	2045729605	GOFOUUHIRIIJSH-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@@H]1CCC12CCC2	2047938897	JMSPPTAITLWIHN-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@]1(C2CCCCCC2)CCC12CCC2	2047942793	MTRGBMQVJQKMKI-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
NC1(C[C@@H]2C=CCCCC2)CCCCCCCC1	2049668526	APUYGRBRRAJTFT-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@H]1CCC2(CC2)C1	2049861632	DPARZUXKLZHQAQ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CCC2(CC1)CC2)C1(CC)CC1	2049862680	YIXHKLDEQXOFGA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@]1(C)C=CCCC1	2049992402	NZOBZKPDRMTHIP-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@@]1(C)C=CCCC1	2050006445	NDQDMYXJNQRFQA-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@@H](O)CC=C(C)C	2051399540	HXVQDDNUFZFFSX-XIRDDKMYSA-N	246.394	4.534	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CCCC[C@H]1F	2055260284	CZNXLQSJVRPXBV-HUUCEWRRSA-N	248.341	4.521	0	10	BJAE	
C/C=C/C[C@@]1(CNC2CC2)CCCC(C)(C)CC1	2057060302	OWUBFGBIJMHXEZ-LAQIPUCWSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCCC1(N)CC2(CCC(C)(C)CC2)C1	2059208197	VGNAIYWAFZXCHT-SNAWJCMRSA-N	249.442	4.811	0	10	BJAE	
CC1(NCC2CC(=C3CCC3)C2)CCCCCC1	2061721975	CYOUROOXHAQYTL-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC=CCCC[C@H](NCC)C1CC(=C2CCC2)C1	2061730519	JAANALQXCFMROD-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
O=C(CCC1=CCCCC1)C12CCCC1CCC2	2063861082	MRQSLSYBDKJSRR-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CC(C)CCCCCC(=O)C1CC2(C1)CC21CC1	2064127939	ULXUPBALLMBGRB-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2CCCC3(CC3)C2)CCCC1	2067531253	YFYJNNDGVQUDLQ-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
CC(C)C(Cn1ccc2cc(F)ccc21)C(C)C	2068980963	HKGRALJKQBFKPC-UHFFFAOYSA-N	247.357	4.709	0	10	BJAE	
CCCC1(CC[C@H](O)c2cccc(C)c2)CCC1	2069330286	GAXKMYBEOJTYLH-INIZCTEOSA-N	246.394	4.779	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1cccc(CC(C)C)c1	2071491386	XCJWGVVALYRSEQ-GOEBONIOSA-N	244.378	4.504	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H]2CCCC23CC3)CC1	2072682390	UVOCKFPWZXDMAZ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](O)CC[C@H]2CC[C@H](C)CC2)cc1	2072778770	VFBHOIMEVAUYAK-FRFSOERESA-N	246.394	4.635	0	10	BJAE	
CCC1CCC(C[C@]2(N)C[C@@H]3CCCC[C@@H]32)CC1	2072806408	LQUNWBIJDQUPEX-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@H]2CCNC3(CCC3)C2)CC1	2072818825	AGQDEXLBRQNXPI-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@](N)(C[C@@]12CCCC[C@H]1C2)C1CC1	2074023512	CSLJOGWJAXVBOU-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@@]1([C@H]2C=CCCCC2)CC[C@@H](C)C1	2075362881	NIXBEHRRUDEZHI-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCCCN(CC1CCC=CCC1)C1CCCC1	2076591803	SBVQEHBRNANHIE-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
C[C@H](C=C[C@]1(C)CNC(C)(C)C1)C1CCCCC1	2078848343	SSYBHOKGZICRCQ-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1C[C@H]1C1CCC1	2079282403	MFSIZFWDZHVBLA-HOCLYGCPSA-N	243.394	4.658	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@H]2C[C@@H]2C2CCC2)CCC1	2079325818	WFDIYYKHAAETPQ-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2079852111	OQSWWQAUPFIZAO-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C)C(=O)Cc1cc(C)cc(C)c1C	2082949402	VUTHIUHBSVRPEG-ZDUSSCGKSA-N	246.394	4.550	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@H]2CCC23CCC3)C1	2082978373	GPCLNUZVOCCNTD-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@@H](N[C@@H]2CCC3(CCCC3)C2)C1(C)C	2084354512	CAVUCTDANBLSQE-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@]1(O)CCC[C@H](C(C)(C)C)C1	2212101817	XPQWNRAMBLIXMQ-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](O)CCC1C[C@H]2CCC[C@H](C1)C2	2213294415	MDCIHYQXZQMXDC-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)CCCCC1CC1	2214569051	MCESFEWXWLHSFN-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1CC([C@@H](O)CCCCCCCC2CC2)C1	2216860588	BMLBVQKNTQWEAL-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
C[C@H]1NCCC[C@@H]1CCCCCCCC1CC1	2216878694	DUXZSWONKYNZDR-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC(=O)[C@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218334487	RSMMGYJTCJRUDG-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@@H]1C[C@@H]1C1CCCCC1	2220043659	BAKBIPOEBCVKAQ-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CN(CCCCCC1CC1)C[C@@]1(C)CC=CCC1	2221602476	RMAGDXFYIGIMPH-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CN(CCC1CCCCC1)C[C@]1(C)CC=CCC1	2221604583	ZCGYDECZHKYBQL-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CCC1CCC([C@H](N)[C@]2(C)CC=C(C)CC2)CC1	2221631135	LZIQXCYZLSVBHH-SJJHQCBESA-N	249.442	4.667	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(CNC2CCC2)C=CCC1	2223576071	FIAXYYOHAMKPKX-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@H]2CCc3cc(C)ccc3N2)CCC1	2224123684	ICCAXXJRANHDNZ-OAHLLOKOSA-N	243.394	4.692	0	10	BJAE	
CCC[C@@H](CC)CNc1cc(C)ccc1Cl	2244798863	CQDKELUGURYEHQ-GFCCVEGCSA-N	239.790	4.887	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@H](C)CC(C)(C)C	2244800932	PDZYBGGEUOYKFL-BFHYXJOUSA-N	227.436	4.602	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)CC1(C)CCCC1	2247175139	YWRYKOKMCWKFBY-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CN[C@H](CCCCCC[C@H]1C[C@@H]1C)C(C)(C)C	2248813546	FZFSJACWGVTHLX-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)CC[C@@H]1C[C@H]1C	2248842949	SIUJPAVEQXJVAG-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)Nc1cc(C)c(C)c(C)c1	2249497073	PZWTVJYLXMCNHH-OAHLLOKOSA-N	233.399	4.993	0	10	BJAE	
CCC[C@H](CC)[C@H](CCCC(C)(F)F)NCC	2250356422	FCTKSPVVCSTBHM-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)CNCC[C@@H](C)CCCC(C)C	2250477154	UVROMGCAMVJFKQ-HNNXBMFYSA-N	239.447	4.785	0	10	BJAE	
CC[C@@H]1CCCN1CC[C@@H](C)CCCC(C)C	2250515480	ZFCYYEARTFUKAT-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@@]1(O)CC(C)(C)CCC1(C)C	2251679314	RXDTXMPIFHBWDJ-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H]1CCc2cccc(C)c2N1	2253869522	DPUBRXFZLMUUKS-OWCLPIDISA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2254569118	NNWSSGHTMLSSKV-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2CCC23CCC3)C1	2255027767	USOBAFWKTHGRCP-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C(C)(C)C1CCC1	2255050606	LKIRJPMPHZPZCV-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](NCC[C@@H]2CCCC23CC3)C1	2255220896	BLYYUVDWQKBJCD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N)(CC[C@H]2CCCC23CC3)CC1	2255331474	QBFNJGJJHIFNCF-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CC(=CCCCC[C@@H]1C[C@H]1C)c1cccc(N)c1	2257240920	MEPMTFKRHRBPDR-HUUCEWRRSA-N	243.394	4.889	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1(N)CC2(CCCC2)C1	2257246400	FWIZTUNGZNZRJM-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@@H]1CCC12CCCC2	2257318665	FIPRGGYIJHMTFL-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNCCC1=CCCCC1	2257337372	FIAXJMKHEBYGNR-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CCC[C@H](CC)[C@H](O)Cc1ccc(C(C)C)cc1	2259438038	VTBFAKFXKJSJKD-DOTOQJQBSA-N	248.410	4.540	0	10	BJAE	
O[C@H](c1cccc(C2CCCC2)c1)C1CCCC1	2260729605	FHSPOSXHFYEVFS-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@@H]1C[C@@H]1CC	2300685120	BDSHDAUHLOMQTI-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@]1(CNC)CCC[C@H](CC)C1	2300860268	FOWCTUANJFCJKP-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(C)c(OCC2CCCCCC2)c1	2301138046	PWDVJOFPOYGAPU-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
C[C@@H](CC1CCCCCC1)[C@H]1CC[C@@H](N)CC1	2301188434	LCWYAXZVKRGJPP-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CCCCCC1)c1cccc(N)c1	2301238009	BWVILJIASILTHR-CYBMUJFWSA-N	231.383	4.733	0	10	BJAE	
CCCNC[C@@H](CC1CCCCCC1)C(C)C	2301243609	DJYXBAWCTJOCOK-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCc1ccsc1-c1ccnc2ccccc12	2301457293	DZIRYKUJWDUSLF-UHFFFAOYSA-N	239.343	4.526	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)[C@@H](C)C1CCCCC1	2301837960	CPYGZYVTOPQELU-MJBXVCDLSA-N	238.415	4.700	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)[C@H](C)C(C)C)c(C)c1	2301927786	DQJDZRDXFOACEW-HUUCEWRRSA-N	233.399	4.704	0	10	BJAE	
CC(C)[C@@H](C)[C@@](C)(N)CCCCCCC1CC1	2301945729	OJSYGZUTFHYVPV-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCC[C@H]1c1nc([C@@H]2CC2(C)C)cs1	2302256611	FFANJXUEJRJZOA-UTUOFQBUSA-N	249.423	4.950	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)C[C@H]1CCC(C)=C(C)C1	2303520365	DEGFPCISYJBLKP-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CC[C@@](O)(CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304361655	XEERPKWCXXMHFH-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](CC)C[C@H](NC)C1	2307906559	GIITVDBDYWNBHQ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](c1cccc(C(C)C)c1)[C@@H]1C[C@@H]1C	2309816225	ROEWTQSXIDNQPQ-XKQJLSEDSA-N	245.410	4.507	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@@H]1C)[C@@]1(C)CC=C(C)CC1	2312521340	SLMIQYZETFQMPK-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1C[C@@H]2CC[C@H]1C2	2312899068	IIVCULOTYVZEHI-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2313345198	FOPFODZVSLUXSG-UTSKFRMZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N1CC[C@@]12CCCC(C)(C)C2	2313612171	KWEJEWXKKMLPGM-RHSMWYFYSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC(=N)C1CCCC1	2315873508	WKZCRUWOYXKABQ-UHFFFAOYSA-N	244.382	4.698	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@@H]2C[C@@H]2C1)CCCC(C)C	2316491905	RAAMOOLEFOJSRY-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN[C@@H]1C=CCC[C@@H]1C)CCCC(C)C	2316498551	CWPONOYTLGWYLW-DLBZAZTESA-N	249.442	4.703	0	10	BJAE	
CC(=CCN[C@H]1CC=C(C)CC1)CCCC(C)C	2316498791	GLPURJBSEADTJD-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CCC(C)=CC[C@H](NC)c1c(C)cc(C)cc1C	2316507845	FWMYVFXSIIHMEY-INIZCTEOSA-N	245.410	4.619	0	10	BJAE	
C[C@@](F)(CC1CCCCCC1)c1cccc(N)c1	2316873508	NFNCHYREXSTQBL-MRXNPFEDSA-N	249.373	4.814	0	10	BJAE	
CC(=C1CCC[C@@H]1[C@H]1CCCCN1)[C@@H](C)C(C)C	2317818870	CPDJHHGIABHHJK-RRQGHBQHSA-N	249.442	4.537	0	10	BJAE	
CC1C[C@@H](C)N(CCCC2=CCCCC2)[C@H](C)C1	2318593152	QQUGFIBTQFXCOO-HZPDHXFCSA-N	249.442	4.776	0	10	BJAE	
O=C(CCCCC1CC1)C[C@H]1CC2CCC1CC2	2318888730	PVMXPAGBYNMKGF-UYSNPLJNSA-N	248.410	4.742	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CCC(C)(C)C2)C=CCCC1	2319288974	NVSTUFWBDGXAPA-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc([C@H](N)CC[C@@H]2CCC(C)(C)C2)c1	2319317210	JHJQTTCOYQYDLY-GDBMZVCRSA-N	245.410	4.601	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1CC[C@H](C)C1	2320401794	MBFJVSKLPHFVQX-WBQNTZJQSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@H]2C[C@H]2C(C)C)c1	2320570235	JNBUVNHZJGLRHT-HOTGVXAUSA-N	244.378	4.675	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1cccc(C2CCC2)c1	2320657743	XHJMSARIDSLQBP-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1cc(C)ccc1C(C)C	2327679844	GUUDSUVAWYVLKK-INIZCTEOSA-N	247.426	4.815	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CNC)c1cccc(C)c1	2328195817	HFIKBZJZLNEGTI-RDJZCZTQSA-N	247.426	4.514	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)c1cccs1	20520339	URVMHODLZDVZBY-OLZOCXBDSA-N	239.428	4.758	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@@H](C)CCC(C)C	20566227	WPSZBVYMJPTQTQ-ILXRZTDVSA-N	227.436	4.616	0	10	BJAE	
Cc1cnccc1/C=C\c1cccc2ccccc12	33324062	UOZOSRILENAGRW-KTKRTIGZSA-N	245.325	4.714	0	10	BJAE	
CN[C@@H](CCC(C)C)c1ccc(C(C)C)cc1	36819971	SPZFYYRBWXKWJY-INIZCTEOSA-N	233.399	4.507	0	10	BJAE	
CCCC(CCC)N[C@@H](c1ccccc1)C(C)C	36967509	DCPSXDGDBSGJQM-QGZVFWFLSA-N	247.426	4.942	0	10	BJAE	
CC(C)[C@@H](Nc1cccc(F)c1)c1ccccc1	37202744	LFGHJCPGFFVRKS-MRXNPFEDSA-N	243.325	4.635	0	10	BJAE	
CC[C@H](C)c1cccc2c(C)c([C@@H](C)NC)oc12	40996203	GXKPORGPSQNMSE-CMPLNLGQSA-N	245.366	4.535	0	10	BJAE	
CCCc1ccccc1N[C@H](C)c1ccsc1	50341339	QACHEGVLBPWZHE-GFCCVEGCSA-N	245.391	4.874	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1cccc2ccccc12	54438762	SHSHXYBKOHOUCQ-INIZCTEOSA-N	242.362	4.700	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccc(C)cc2Cl)C1	70760425	CZPQTCNSVVFDSN-NWDGAFQWSA-N	237.774	4.639	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCCC(C)(C)CC1	83435513	SATQPRXVSWQJCU-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCCC(C)(C)CC2)o1	86899635	QIHHDASFJFLYRZ-KBPBESRZSA-N	249.398	4.598	0	10	BJAE	
CCCCC[C@@H](C)NCc1ccc(C2CC2)cc1	94518357	MMXAIKXFCLHNFV-CQSZACIVSA-N	245.410	4.622	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](C)c1ccc(C)cc1C	111666052	IGDAGERQCDUFDI-HUUCEWRRSA-N	247.426	4.779	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1cccc(CCC)c1	131500530	FQGBETPGLYAACT-WBVHZDCISA-N	247.426	4.855	0	10	BJAE	
CCCc1cccc([C@@H](N)C[C@@H](C)C(C)(C)C)c1	131590952	QEAXZDWZMVYHMR-CJNGLKHVSA-N	247.426	4.711	0	10	BJAE	
CCc1ccc([C@H](C)NCCCCC(C)C)cc1	134296211	NHNLACXIUBYSKX-HNNXBMFYSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](CCC1CCCCCC1)C1CC1	149446350	YVEFEKXANRRHOS-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCCc1ccccc1	165188356	JPWGQSBKJDWHMV-MRXNPFEDSA-N	246.394	4.795	0	10	BJAE	
CCC[C@](N)(c1ccccc1)C1CCCCCC1	167681089	PVAGYEGJCHEZQG-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
CCCC1CCC(CC(=O)C(C)(C)C)CC1	205832981	CANWWQDCYQHOAW-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)CCC(C)(C)C)[C@@H](O)C1	222625338	GHUKOCYSZNREMK-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCC1(C)C	226007701	ZSHMEQVCZKSIOZ-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1(C)CCCC1	228725961	YLZSUEXPTZUUKW-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CC1CCCC1	228739392	OGVIDNDBUUMRCU-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCC12CCCCC2	230168127	HYDQRSLKOIAHQT-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CCN[C@H](CC(C)(C)C)C1=CCCCCCC1	233584516	NHJVBEYWEURSHI-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1[C@@H](C)CCC[C@H]1C	250441951	QNBSLHBAXHHHDP-VIKVFOODSA-N	245.410	4.794	0	10	BJAE	
C[C@@H]1CC[C@@H](N[C@H](c2ccccc2)C(C)(C)C)C1	252147276	OCCUONZXDWQSHM-FVQBIDKESA-N	245.410	4.552	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC(C)(C)C[C@H]1C	300141221	RHCPGONZMDANLL-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(C(=O)CCC2CCCCC2)c(F)c1	302270354	RBUUGPLJRSCNBP-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccc(C2CCC2)cc1	305903281	CXJUBPQSHXVMRK-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CSc1c(Cl)cc(S)c2sccc12	306601222	CCNROWMFLZAKTK-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CSc1cc(Cl)cc2scc(S)c12	306620108	UNLFVBKQHYSITM-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCOc1cc(Cl)cc2sc(Cl)cc12	307076477	CWCXDYNMGCOWAS-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1CCC[C@@H](C)C1	309430557	JKALCQNCUNSNGX-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCC1(CNc2cccc(C)c2Cl)CCC1	309734973	GFCOYBMXLGXTBU-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H]2CCC[C@H](C)C2)c(C)c1	310821818	BSROVSVLLAFMGG-YLQAJVPDSA-N	245.410	4.520	0	10	BJAE	
Cc1cc(C)c([C@](C)(O)CCC(C)(C)C)cc1C	310880621	UXILWAMNGROSCU-QGZVFWFLSA-N	248.410	4.646	0	10	BJAE	
CC(C)(C)c1csc(C2(C)CCCCC2)n1	312933058	LWHKKJBFOREBFI-UHFFFAOYSA-N	237.412	4.662	0	10	BJAE	
CCCCCC[C@@]1(CNC)CCC[C@H](CC)C1	317635876	YZGSAYCFHPGBBL-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H]1CCC[C@@](CC=C(C)C)(CNC2CC2)C1	317724791	KELKHCBQGMYXMN-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@@](C)(CCC1=CCCCC1)CNC(C)C	319111102	GSMLFLRZAIHMMK-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)CC1=CCCCC1	381175938	NZGHDYQLYHGIOO-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
C[C@H](CC(=O)CCC1=CCCCC1)C(C)(C)C	385859563	ZHAKCPYIBZSCGY-CYBMUJFWSA-N	236.399	4.908	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1cccc(C(F)F)c1	386170350	MQZFQZQMZFJQKJ-JTQLQIEISA-N	239.309	4.615	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)c1ccccc1C(C)C	386470532	GKZSRFPBDKJZKX-PBHICJAKSA-N	245.410	4.564	0	10	BJAE	
CCC(CC)(CC)NCCCCCC(C)C	394727359	FIPYGNLSKBMFJA-UHFFFAOYSA-N	227.436	4.761	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](CCC)C(C)(C)C	395324798	ORTQYQWNWXFHOC-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCc1c(C)sc2cccc(C(F)F)c12	396231836	AYVGLEVOAPLNTN-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
COc1cc2cc(Cl)sc2cc1C(F)F	396290530	QIBXPZQOKUVHBO-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCNCC1(CC2=CCCC2)CCC(C)(C)CC1	401062131	FMTIWEJYBLHHSF-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC1(C(=O)c2coc3ccccc23)CCCCC1	404263429	CAVUCYQNQJCWCZ-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@H]2CCCC[C@@H]2C)c1	688897188	AJXUVKKNHFOBBG-XKQJLSEDSA-N	246.394	4.670	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)CC2CCCC2)c(C)c1	689717363	LEMHXTYZHOBHFJ-OAHLLOKOSA-N	245.410	4.993	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)CC1CCCC1	689768750	RCRPUCICLLGIPN-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@@H]2CC3CCC2CC3)CC1	691727121	GZJCJSYRLKLWGF-WXGPCXSOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@]12CCC[C@@H]1C2	693141250	AOFOFARVHQJUIS-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CN[C@H]1CCC12CCCC2)C1CCCCC1	693797462	SNJYNRMSJDJGBJ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](c1ccccc1)C(C)C	695097822	IBBHQAGCRZTXRN-GDBMZVCRSA-N	247.426	4.798	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2CCCC3(CC3)C2)C1	695916915	MENJHPBISNMWLA-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)c1csc(C)c1	696209799	XTMHJAYGGHRNAL-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@@H]1CC[C@H](C)C1	696803867	SSSLWZGNWUTPRE-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)c1cccc(CC(C)C)c1	697199165	RGFSKQIWWWKNBL-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CCCCc1ccc([C@@H](O)CC(C)(C)CC)cc1	697292781	RKQACYURPLEATD-INIZCTEOSA-N	248.410	4.889	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@]12CCCC[C@H]1C2	697832762	UYRANIXCYZACIW-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@H]1CCOC2(CCCCC2)C1	698003796	MSOIPBQMGZELRL-HNNXBMFYSA-N	236.399	4.862	0	10	BJAE	
CCCNC[C@]1(CCC=C(C)C)C[C@H]2CC[C@H]1C2	698040107	JBCIZDIDMVRSHH-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H]2C[C@@H]2C(C)(C)C)cc1	699797926	ILGAJPYPPUWOSP-CABCVRRESA-N	244.378	4.504	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Oc1cccc2sccc12	704931424	BZIYYWSSDNZSIS-DGCLKSJQSA-N	246.375	4.859	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCCCC[C@H]1C	704941962	OAKDGFOUNOFUAA-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
c1cc(N[C@@H]2CCCC23CC3)c2sccc2c1	706556889	ILGLYDBGWSBZSR-CYBMUJFWSA-N	243.375	4.646	0	10	BJAE	
CCC1(C[C@H](NC)[C@@H](C)CC(C)(C)C)CCC1	708297669	SEIRBJGDKVJNHA-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C[C@H](CC)C(C)(C)C	711181640	VTPIKYRDYPQOJI-MELADBBJSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](C[C@H](O)c1ccc(C)c(C)c1)C(C)(C)C	711213344	YIEUFQGVOCAGCY-CVEARBPZSA-N	248.410	4.799	0	10	BJAE	
CCc1cccc(N[C@@H]2CC(C)(C)CC[C@H]2C)c1	713061103	PMUJLCAFGVLAJB-CZUORRHYSA-N	245.410	4.876	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)CC(C)(C)C(C)C	713222243	OJRSBILEQIFWJO-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
CC(C)=C(C)CCC[C@@H]1CCC(F)(F)C1	718774560	SXWPLNXXRROBRC-GFCCVEGCSA-N	216.315	4.948	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1CCCC(F)(F)C1	721699412	VOAPGKYEKLHXGE-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC(C)(CC)[C@H](C[C@H](C)c1ccccc1)NC	721700510	ZTZVPOBRIXSZTE-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
Cc1ccc(Cl)cc1-c1ccsc1C	722410944	YBHWKXUKCHDNLJ-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CC1(C)C[C@H]1CC1(CNC2CC2)CCCCCC1	722844154	ORODDSCIRVETAB-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1ccc(C(C)(C)C)cc1	723128086	KULMVDRRYWGVBY-GXTWGEPZSA-N	244.378	4.603	0	10	BJAE	
CC[C@@H](NC1CCC2(CCC2)CC1)C1CCCC1	1621334818	XHZCGIXBHCFSTJ-MRXNPFEDSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)CN(CC)[C@H]1C=CCCCCC1	1652278231	PKSBUEZSVQVQFY-INIZCTEOSA-N	237.431	4.633	0	10	BJAE	
CCC[C@@H](C)CCNCC[C@@H](C)c1ccccc1	1659927409	CDDMZSGKFTXLOQ-HZPDHXFCSA-N	247.426	4.596	0	10	BJAE	
CC=CCCCCc1cccc(Cl)c1	1885360069	ZSAKUVKJVLKYJW-UHFFFAOYSA-N	208.732	4.629	0	10	BJAE	
CCC(CC)CCC1(O)CCCCCCC1	1900695236	CAIHSNDEJOVTOG-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CC)c1cccs1	1905380030	DAIKLVBHPPTUSE-JSGCOSHPSA-N	240.412	4.562	0	10	BJAE	
CN[C@H](CCCCCC(C)C)CC[C@@H]1C[C@H]1C	1910147362	LLOVYTZYNFRDOB-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC=CC[C@H](CC)c1ccc(F)cc1	1911878229	GTKAIXSZCYPJPE-LBPRGKRZSA-N	206.304	4.676	0	10	BJAE	
CC1(C=C(CNC(C)(C)C)C2CCCCC2)CC1	1911935549	IMVADGOFEVUZDC-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1CCC1)C1CC2(CCCCC2)C1	1912634370	LMJAXKFZIKIVHC-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
O[C@H]1CCCCCCCC[C@H]1CCC1CCC1	1913431856	YVZFEIHMDFFETB-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CC(C)NC[C@]1(CCCC(C)(C)C)C=CCC1	1916386978	UEDJQKONQDWOMV-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@](O)(C[C@@H](C)C(C)(C)C)c1ccccc1	1919934236	KMGQSGMRWVSHKV-RHSMWYFYSA-N	248.410	4.603	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1CCC[C@H]1C	1919987738	OCNJXXGYCHIMSS-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CCC(C)(C)CC	1920197478	OGBKDULPGQYKOK-HIFRSBDPSA-N	227.436	4.747	0	10	BJAE	
Cc1ccc([C@@](C)(N)CC(C)(C)C(C)C)c(C)c1	1920484999	UQKSXOZWTXBHHU-KRWDZBQOSA-N	247.426	4.550	0	10	BJAE	
C[C@H](CN[C@H]1CCCC12CCC2)C1CCCCC1	1921499738	RYYXWRFUBRVWNK-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H](N)CC1CCCCCC1	1921567020	GYEHTNRHKPACTP-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC(=O)[C@@H](C)C1CCCCC1	1924086925	QGFFOEMMHQXUIX-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](C[C@@H]1C=CCCCC1)C(=O)c1ccccc1	1925763790	RQQFJVULNVQFFF-LSDHHAIUSA-N	242.362	4.642	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)C[C@H]1C=CCCCC1	1925883850	FZSHPDOEQYIIEO-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)[C@H]1CC[C@H](C)C1	1925944444	DWUFQAIXUCJGMP-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC1=C1CCC(C)(C)C[C@@H]1CN	1927147479	LYMIVYCAAQUYEJ-ZIAGYGMSSA-N	249.442	4.668	0	10	BJAE	
CC(C)C[C@H](C(=O)CCC(C)(C)C)C(C)C	1936206318	FUMIDJLTZHLWIV-ZDUSSCGKSA-N	226.404	4.700	0	10	BJAE	
CC[C@H](NCC(C)(CC)CC)c1cccs1	1936270044	BFPKBEVZLZNQMQ-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
CC[C@H](C[C@@H](O)c1cscc1C)C(C)(C)C	1938843529	QEPIGMVIHKMZMX-DGCLKSJQSA-N	240.412	4.552	0	10	BJAE	
CC[C@H](C)c1csc(CC(C2CC2)C2CC2)n1	1944586028	NWWXYHOZEXXTKP-JTQLQIEISA-N	249.423	4.635	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)C(C)(C)C1CCCC1	1944621986	ITUDYDXETQMMGT-ZFWWWQNUSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(C)n1C1(C2CCCCC2)CCC1	1945307917	RLCCSSZNURWNQN-UHFFFAOYSA-N	231.383	4.564	0	10	BJAE	
CC(C)=CCCCc1ccc2c(c1)CCCC2	1947357922	CKXZPSVRAABVFX-UHFFFAOYSA-N	228.379	4.854	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@@H]1C=CCCC1	1947587682	LUWGSBSLJVKPMI-BZUAXINKSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CN)CC12CCCC2	1948073005	JAMVNLKHVZIKLC-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)CCCCCC1CC1	1948321391	JHBYUGILZLUJGY-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(N)[C@H](C)CC(C)C	1948324486	ADUDBAMCLLTGGP-LVQVYYBASA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)[C@H](C)CC(C)C)c1	1948325080	DYDUPAIRSFGQIR-CABCVRRESA-N	233.399	4.786	0	10	BJAE	
CCCCCC[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948595018	DBWYUYZNKGMJPB-XHSDSOJGSA-N	237.431	4.645	0	10	BJAE	
C[C@@](N)(CCC1=CCCCC1)CC1CCCC1	1949041967	WCIOGESUTPGUID-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
Cc1cc(C)c([C@H](N)CC2CCC=CCC2)s1	1949080228	LHRYRJOVYJNFHB-CQSZACIVSA-N	249.423	4.501	0	10	BJAE	
CC(C)(C)[C@H](O)CC[C@@H]1CCC2(CCCC2)C1	1949400376	VHQMMNATDJPRGD-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
Cc1cc([C@H](C)N[C@@H]2C=CCCCC2)c(C)s1	1950618394	HXEDBEVTTSSOFI-GXTWGEPZSA-N	249.423	4.514	0	10	BJAE	
Cc1cc(C(=O)CC23CCC(CC2)C3)c(C)s1	1950913366	GXJYCFFSRLLCQJ-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)[C@@H]1CCCC(C)(C)CC1	1950924084	XNOXFENOZBFAMP-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(OCC)cc1C	1951308940	QVAVOVHYFAFBAI-ZDUSSCGKSA-N	232.367	4.854	0	10	BJAE	
CCC=C[C@@H](C)Cc1c(C)cc(OC)c(C)c1C	1951308978	RQENRWDKKVQJNB-GFCCVEGCSA-N	246.394	4.765	0	10	BJAE	
CCC[C@@H](C)CN(C)Cc1cccc(C(C)C)c1	1964260422	ZQEWWJUQQVUOMJ-OAHLLOKOSA-N	247.426	4.678	0	10	BJAE	
C[C@@H]1CC[C@H](CNc2ccccc2C2CCC2)C1	1973432270	YYJSVQMCXZLZJG-KGLIPLIRSA-N	243.394	4.802	0	10	BJAE	
c1ccn(C2CCC3(CCCCC3)CC2)c1	1978497020	JTBQLEKJOFPHQD-UHFFFAOYSA-N	217.356	4.554	0	10	BJAE	
CCC(C)(C)C[C@H](NC)C(CC)(CC)CC	1978527788	SJVIVOCKTYGXPS-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCC(CCC)CNCC(C)(C)CCC	1981288045	DTXPMEMJVNCBNC-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H](C)CCCC	1984619627	WFCKYOPUOIIKRH-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCCC1(CC(=O)[C@H](CC)C(C)C)CCC1	1988432369	DUOJAMGZUJZDNJ-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](c2nc(CC(C)C)cs2)C1	1995443877	DXCDPPYCWXJAHJ-NEPJUHHUSA-N	237.412	4.635	0	10	BJAE	
CC(C)C[C@H](C)Nc1ccccc1SC1CC1	1996548870	MWDRGSUROADOQV-LBPRGKRZSA-N	249.423	4.788	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CCCC2CC2)CC1	1997118773	ZSXWGDIQTPAEOK-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CCC(C)(C)CC	2000193297	JKIIORADCYSHQE-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](c1ccccc1)C(CC)(CC)CC	2000374190	UZABSHBJCQCOBA-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@@H]1CC12CCCCC2	2001265940	PXYMQBUMICOIGG-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](N)[C@H]1CCCCC12CCCCC2	2001579045	RVFQUMLVVPQSDO-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC([C@](C)(O)C2CCCC2)CC1	2002924594	JQBVNUIIQZUFAX-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@](C)(N)C1CCC(C(C)C)CC1	2002924750	LAAKULRGAQHULL-GPANFISMSA-N	239.447	4.602	0	10	BJAE	
Cc1ccccc1N[C@H](C)[C@H]1CCC[C@@H](C)C1	2002998411	KYVKNWKLXPAITG-YUELXQCFSA-N	231.383	4.622	0	10	BJAE	
CCCCCCN[C@@H](C)[C@H]1CCCC(C)(C)C1	2003007330	PSVOXASBQHBLPS-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCCN[C@H](C)[C@H]1CCCC(C)(C)C1	2003014113	KSWXSIIOXWVIDG-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2003023450	XMGOPKDWSJKQBB-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@H]1CC[C@H](CC)CC1	2004225007	AUVUKUQYNTYPQH-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)[C@H](NC)C1(C)CCCCCCC1	2004924226	ZDMFRIDTNXLRTE-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC[C@H](NCC2(C)CCCCCCC2)C1	2004936544	AXBUQCROQRJOSN-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccc(CF)cc1	2007025551	KRYYXYSTEBUISH-HIFRSBDPSA-N	235.346	4.537	0	10	BJAE	
CC(C)=CCC[C@@H](O)C1(C)CCC(C)(C)CC1	2007697939	QXKBPICHUOYWIQ-CQSZACIVSA-N	238.415	4.700	0	10	BJAE	
CCNCC1(CCC2(C)CC2)CCCCCC1	2009548612	PCHSLDDFLIQRMY-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C/C=C/CCC[C@]1(CNCC)CCC[C@H](C)C1	2009630421	WRDRRTUAWNPNTR-IRJXADNDSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@@H]1CCCC(C)(C)C1	2009634673	IIWAHOIVJXPXLA-XEVLESSRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@]1(CC2(C)CC(C)(C)C2)CCCN1	2009768793	KCLKQLAPEJXGDM-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@](C)(N)C1=CC[C@@H](C(C)C)CC1	2010739600	REWWQBNNAOZFDH-GDBMZVCRSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(CC)CN(C)CC1(C)CCCCC1	2011177319	DQRTZHAJDCZJNU-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC[C@@](CCC(C)(C)C)(CNC(C)C)C(C)C	2012412674	OEMWCWNKBDPCHR-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
CC[C@](N)(CCC(C(C)C)C(C)C)C(C)(C)C	2015358657	ARAWICLZNDVIBK-INIZCTEOSA-N	241.463	4.848	0	10	BJAE	
CC(C)C(C[C@@]1(N)CCC=CCCC1)C(C)C	2015403197	YWZINLNNLLUISM-MRXNPFEDSA-N	237.431	4.523	0	10	BJAE	
CCCC1(C[C@]2(O)CCCCC2(C)C)CCC1	2015639932	MMGKILMKLMEUQN-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@H]2CCC[C@H](C(C)C)N2)CCC1	2015647038	DDLWNWNVCUPOJK-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)C1(C[C@](C)(N)C2(C)CCC2)CCC1	2017138320	ITAKREDBDRETJA-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCC(C)=C(C)C)CC1	2017468954	OWCQCOCICFJIEF-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@H]1CC[C@H](C)CC1	2017650872	MUNJQOCKJVZXBT-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)CC(CC)CC)CC1	2017656091	TXAGYTOVXUTSRE-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(C[C@@]2(C)CC[C@H](O)C2)CC1	2017714457	GPPRABLBLZOUBR-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2018129325	BRBZXCAJIZPNCY-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@]12CCCC[C@H]1C2	2018576325	ZOLIIQBVFJRBDP-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@@]12CCCC[C@H]1C2	2018587474	MLMLVTQSDOXMCU-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@@H](CC)C1CCC1	2019188554	FGBKLMHHEGTZLS-ZBFHGGJFSA-N	239.447	4.713	0	10	BJAE	
CC(C)C[C@H](C)N(C)[C@H](C)[C@H]1CCC[C@H](C)C1	2019297080	GTCWESSWYXSCHQ-JONQDZQNSA-N	239.447	4.568	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@H](C)C1CCC(C)CC1	2019383694	DKVWBJZKVDRYOB-KEPFICHZSA-N	239.447	4.568	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H](CC)CCCC	2020972942	YFGUMAOMJIATOR-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CC(C)C(C(=O)C[C@H]1C[C@H]1C(C)(C)C)C(C)C	2022555667	ZFLPXHAUHLXULG-CHWSQXEVSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](C=C1CCC1)C[C@@H](CC)C(C)(C)C	2022685255	CDVALPPGHANZAY-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(C)c1OCCCCC(C)(F)F	2023345451	GSKJGISVZANIAU-UHFFFAOYSA-N	242.309	4.508	0	10	BJAE	
Cc1cnc(-c2ccc(C3CC3)cc2)cc1Cl	2023464369	JSRALSGAFSIHKS-UHFFFAOYSA-N	243.737	4.588	0	10	BJAE	
CC1(C)CCC[C@H](CSc2ccc(N)cc2)C1	2024102443	SLNNEVUSHKIIMD-LBPRGKRZSA-N	249.423	4.577	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1[C@H](C)CCC[C@H]1NC	2024517987	LGTWOZQHGPTJGU-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CC[C@](N)(CC2(C)CCCCC2)C1	2025631736	LHEWHRPCEPHKEE-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NCC)C1CC=CC1	2026059494	JBINMPWUZDCAGP-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1cccc(C2(N)CCCCCCC2)c1	2026925280	LDAUYKJEWIJOOJ-UHFFFAOYSA-N	245.410	4.708	0	10	BJAE	
CN[C@H](c1cccc(C2CC2)c1)[C@H](C)C(C)(C)C	2028557587	OSRLBYZTWQVQMW-LRDDRELGSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC1(C2CCCC2)CC1	2029738597	UCXSXIIJWDEXHL-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1coc2ccccc12	2029836092	JDZQEHWWDAITBX-BLLLJJGKSA-N	246.350	4.539	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@]23CCCC[C@H]2CCC3)C1	2031797309	CQQSYTWSDANZOM-NNXHMXCWSA-N	249.442	4.514	0	10	BJAE	
CCCC1(Nc2cc(C(C)(C)C)ccn2)CCC1	2033049294	WIIQTHRDUYPQGD-UHFFFAOYSA-N	246.398	4.514	0	10	BJAE	
Cc1ccc([C@H](C)NCCC2(C)CCCCC2)o1	2033214236	HVZGPUKZLOVWKE-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H](NC1CC(C2CCCC2)C1)C1CCCC1	2033766940	KJZBBIZHLFVWTR-OFLPRAFFSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@H](Cc2cccc(OC3CCC3)c2)CCC1	2035559616	AKWBCFBGFYMZAU-AWEZNQCLSA-N	242.362	4.517	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C1(N)C[C@@H]2CCCCC[C@H]2C1	2035865570	UQHSSIQHZFPUQO-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)c1cccc(C(C)C)c1	2036381636	GYMNZFWWTZNLCO-YOEHRIQHSA-N	247.426	4.666	0	10	BJAE	
CCC/C=C/CN[C@H]1CC[C@H](C)c2ccccc21	2036763236	NAPLUTWKMGMISS-LTATYCHUSA-N	243.394	4.571	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@@H](N)C2=CCCCCCC2)C1	2037074646	VNDWSLATORLJCE-XKQJLSEDSA-N	247.426	4.587	0	10	BJAE	
CC1(C)CC[C@@H]([C@]2(N)CCCC23CCCCC3)C1	2037584448	ONEQXIBNADLICL-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CCCCN1[C@H]1CCC2(CCCC2)C1	2037674653	GUHSVHRRXULAQJ-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
CCNC[C@H](C1=CCCCC1)[C@H]1CCC(C)(C)C1	2037686440	MBUQCGMJKFPTDP-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CCC1CCCC1)CC1CC2(CCC2)C1	2037973879	DXYTVMMCAJIPAN-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2[nH]c(CC3CCCCC3)nc21	2038008537	ZWVVHYFDWNBVJB-VXGBXAGGSA-N	246.398	4.533	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1C[C@@H]2CCC[C@H]2C1	2038550368	UDJUSGOOQXWWIR-AESZEHBQSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC(C[C@]2(N)CC23CCCCC3)C[C@H](C)C1	2039009730	SIPOMRJREFIDEX-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](NC[C@H]1CC12CCCCC2)C1CCC1	2039091495	JDSFWKZKAWBNJP-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCC2CCC2)CCCC2(CCCCC2)C1	2040764717	HDHDOCXRRWGXIK-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)C1[C@H](C)[C@H]1C	2043291230	ABJGVTIAZAJKEG-CKEIUWERSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC=CCCC1)[C@@H]1CC1(C)C	2045305815	SQFIGXSTDBJHOK-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CCC(C)(C)C1CC1	2045680936	QTMIEUNYPBBLAQ-XJKSGUPXSA-N	248.410	4.764	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]3CCCCCC[C@H]32)CCCC1	2047437504	MBBXXQQSHQZSSW-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@]1(C)C[C@@H]1N[C@H]1CCCCC12CCCCC2	2047586551	KVSBGNVDSUEXGI-HRCADAONSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@@]1(C)CC=CCC1	2047727302	WBGOFVNGUHONSU-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048468859	OHDXJOHTMHOVMY-LISQQWEMSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H]([C@@H]1CC[C@@H](C)C1)[C@@]1(C)C=CCCC1	2050008019	GSPWYVOSITYTFE-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)[C@@]1(C)C=CCCC1	2050011197	ZSJQZTQNMAFNJM-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
C[C@@]1(Nc2ccc3ccccc3c2)C=CCCC1	2050024150	RPEFBDSCNAXISS-QGZVFWFLSA-N	237.346	4.751	0	10	BJAE	
CC[C@@H](N[C@H](C)C1(C)CCC1)c1ccc(C)cc1	2052350461	ZDGOOUDDRNVBDT-GDBMZVCRSA-N	245.410	4.614	0	10	BJAE	
CC1(C)CC(C[C@H](N)[C@H]2CCCCC23CCC3)C1	2053416268	QBSWDNVNESRJJT-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C1CC=CC1)C(C)(C)C1CCCCC1	2053662074	KYDCFEQKXBWEBA-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCCCC23CCCC3)CCC1	2055549670	NHAKPLBIHJQMSP-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@H](N)CCC1=CCCCC1	2056446501	GIISTUSMXDKDFI-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC2CC(C3CCC3)C2)C1	2056667353	DTYKHSRAUNYYSZ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H](C(=O)CCC1(C)CC1)c1ccccc1	2059242631	DSLJGJQAORWFOB-INIZCTEOSA-N	244.378	4.576	0	10	BJAE	
CCCCCC1CC(NCC[C@@H]2CC=CCC2)C1	2059390714	RQSXSHXUQHPJPW-KLAILNCOSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(C)c(C(F)(F)F)c(C(F)F)c1	2060352004	ZENWCSSFWILEJN-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC[C@H]1CC=C([C@]2(O)CCC3(CCCC3)C2)CC1	2061089230	RPEDWNQBGNBYMC-YOEHRIQHSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@@H](N)C2=CC[C@H](CC)CC2)CC1	2061097160	ACWPNZHTEFHTNH-DXCHVLGVSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCC	2061563105	LNAUEDNUUXQUNA-GVDBMIGSSA-N	249.442	4.550	0	10	BJAE	
CCCCC1CC(O)(CC2CC(=C3CCC3)C2)C1	2061690723	IXKMDHMSVLAHOD-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(CN[C@H]2CCCCCC23CC3)CC1	2062016665	IWTNOIYYELEEDS-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@]1(N)CC1CC2(C1)CC(C)(C)C2	2063202817	CJAWSTHSPCPQJQ-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(C[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2063487542	QDNHIHCVWJHCNN-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H](N)C2CC3(C2)CC3(C)C)CCCCC1	2064002696	PFRVPMGIDAYEGT-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC23CCC(CC2)CC3)[C@H](C)C1	2065337591	BFYVTTIJEVRATG-AKNDPVLGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cc(O)c(C)cc1C	2065986847	DUSBFXWJXNFHKD-CQSZACIVSA-N	249.398	4.636	0	10	BJAE	
C[C@@H](Nc1ccc(C2CC2)cc1)C1(C)CCCC1	2067519431	GBMKMNSETABNMB-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CCCc1ccccc1[C@H](C[C@H](C)C(C)C)NC	2068842306	PETQZQYLKIYJMZ-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
Cc1coc(C)c1C(=O)CC1(C(C)(C)C)CCC1	2071921733	KMDMRFWHPWZLAJ-UHFFFAOYSA-N	248.366	4.686	0	10	BJAE	
C[C@H](C[C@@H]1CNC12CCCCC2)C1CCCCC1	2072190210	UDGQGPXPOFRWRU-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@@]1(C)CCCC(C)(C)C1)c1ccccc1	2072617251	NBIHUDAKRXBZOP-PBHICJAKSA-N	245.410	4.696	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CC[C@@H]3CCC[C@H]3N2)CC1	2072813988	XZYNFXYXRAPVOP-QUSNUVHPSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(COc2ccc(C)cc2)CC1	2072876545	BJIJXXVVUAFLOZ-UHFFFAOYSA-N	246.394	4.980	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@@]12CCCC[C@H]1C2	2074029655	OSYMOUDQFIFVRU-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@]2(N)C[C@H](C)CCC2=C(C)C)CC1	2074557989	KHVZIJLLDTXPDT-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
C1=C[C@@H](N2CCC[C@H]2C2CCCC2)CCCCC1	2074797758	UCKYBWQTCKYEQO-SJORKVTESA-N	247.426	4.530	0	10	BJAE	
CC1CCC(N(C)[C@H]2CCCC3(CCC3)C2)CC1	2075119809	QLDLNGMOHRKUER-GPANFISMSA-N	249.442	4.610	0	10	BJAE	
CC1CCC2(CC1)CCN2CCC1=CCCCC1	2075149253	WSGOYBWRCMYCHU-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C[C@@H]2CC=CCC2)CC1	2075167603	KBQORWPOGHRTSF-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
Cc1cccc(F)c1C(=O)C[C@H]1CCC[C@H](C)C1	2075976879	NEDJZWMLHLPRKC-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](C[C@@H]1CCC=CCCC1)NC	2079441270	WJESRHVBFUPMFL-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCCCC1CC1)[C@H]1C[C@@H]1C1CCCC1	2079484641	IKFASFOFECPPBV-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
CCNCC1(CC=C2CCC2)CCC(CC)CC1	2081683714	LWZIRISYRZETRK-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](C)C1CCCCC1	2081946438	HMKSPNGFVBUVBE-GFCCVEGCSA-N	249.373	4.769	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCCC2(CC2)C1	2081954248	CZCPIXCSCQNATM-AWEZNQCLSA-N	247.357	4.523	0	10	BJAE	
Cc1cc(-c2ccccc2C(C)C)c(C)cc1N	2083395871	UDPVNOPEPUGYKL-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)CC1CC(CC)C1	2084998635	ROAPVDAWJXRIGI-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@H](CC)O[C@@H](C)c1ccc(N)cc1	2086295891	QGKXSJYVWDJBFE-BBRMVZONSA-N	249.398	4.705	0	10	BJAE	
CCCC[C@@H](N)CCCCCCCC1CC1	2210526041	YQWMFZNPUSMIAG-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCCCC[C@](O)(CC)CC[C@H]1C[C@H]1CC	2211553460	UGDPUKNBUVMWHI-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CCCCCCC(=O)[C@@]1(C)CC=C(C)CC1	2211855374	BQVDORFIBSDDKS-HNNXBMFYSA-N	222.372	4.662	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](CC(C)C)C(F)F	2213850376	DSQAPUCSEFRRFD-QWHCGFSZSA-N	249.389	4.615	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CC1(C)CC(C)(C)C1	2215386823	QLAWUTWDQQTECW-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCCCC(F)F)C1	2216521672	JUNQHGYHLHFNHF-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCN[C@H](C)[C@H](C)CCCCCCCC1CC1	2216878464	CQVACUMOUYYODA-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@](N)(CCCCCCCC1CC1)C(C)C	2216884272	UCBGJGRNCYHTEI-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218349270	FWIAJQIQVCMSCW-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)c1ccccc1	2218727534	RANPHXPZOXWKOV-KRWDZBQOSA-N	245.410	4.827	0	10	BJAE	
CC[C@](O)(CC=Cc1ccccc1)CCC(C)C	2219046440	AAGLOWSVGVNELP-KRWDZBQOSA-N	246.394	4.667	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)c1ccccc1C1CC1	2220956743	BHVVPDBIGXTPDF-JSGCOSHPSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@@H](CC1CC1)CC1(C)CC2(CCC2)C1	2221013045	GXRWCLSTSULXAM-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NC[C@@]1(C)CC=C(C)CC1)[C@H]1CC1(C)C	2221643082	LYYNMEBPRMLQPB-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCCC1	2222948208	GKTLZTQMZJUTPG-FMKPAKJESA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CNC[C@H](C)C1=CCCCCCCC1CC1	2223108683	FRUXFEWIDDTQTR-GASCZTMLSA-N	249.442	4.539	0	10	BJAE	
C[C@@]1([C@@H](N)CCCCCCCC2CC2)C=CCC1	2223110221	NEQVZEUTOHALSN-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
C[C@@H](C[C@H](O)c1cccc2ccoc12)C(C)(C)C	2224195400	CQCHKULKOWESRD-FZMZJTMJSA-N	246.350	4.539	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1CCC1(C)C	2243198758	LMDCXUJGWPLNFW-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)CNC(C)(C)CC(C)(C)C	2244796255	LROIOJMAWXBKFF-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(Cl)cc1C	2244804650	WGWCXHVKTQZCEZ-GFCCVEGCSA-N	239.790	4.887	0	10	BJAE	
CCC(C)(CC)CNCC[C@H]1CCC[C@@H](C)C1	2246683976	JEULPPFVTWHVDJ-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)CC[C@@H]1CC1(C)C	2247162685	HVZMZCLDGLXMPR-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](N)CCCCC[C@@H]1C[C@H]1C	2248808356	RBTXOHDLQSNVPH-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CC(C)C(C)(C)C(=O)CCCCC[C@@H]1C[C@H]1C	2248860149	ZKEIMXGEPWRSER-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(N[C@H](C)CCC2CC2)cc(C)c1C	2249497778	AVCSIXUZYYIUSB-CYBMUJFWSA-N	231.383	4.602	0	10	BJAE	
CC[C@H](C)CCNc1cc(C2CC2)ccc1F	2250111925	FJCKKKYUYPEKNF-NSHDSACASA-N	235.346	4.551	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)C1=CCCCCC1	2250356572	RHIKHYJSPQYBPH-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](F)C(C)(C)CN	2250481313	LKPMVKMAJXHQMI-KGLIPLIRSA-N	245.426	4.552	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@@]12CCCC[C@H]1CC2	2251220194	XCTIPPZEADKNIM-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H]1CCC(C)(C)C1=O	2251708325	QLNAWZMJXQLZRR-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H]1[C@H](CCCC(C)(C)C)CCC1(C)C	2251711763	KCPRLHGNSKPLLP-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H](CCC1CC(C)C1)NCC	2251758029	VVJPMWYECVNXHX-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
N[C@H]1CCCCCC1=CC[C@H]1CCCCC12CC2	2253824431	QBLHYVVZHYDIIQ-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H]1CNCCC1=CC[C@@H]1CCC[C@H](C)C1	2253999288	WXOJKMNRYCMAFI-YQQAZPJKSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(N)CCCC[C@H]1C1CC1	2254599259	UKJOVWVNKVSHNO-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CC2=CCCCC2)[C@@H]1C	2255097185	QAQJFZGLGJSBOR-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@H]1CCCC12CC2)C1CCCCCC1	2255245396	LDDPKJRVRBNIJJ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)CC[C@H]1CCCC12CC2	2255256645	AGHZONFPKPSKBJ-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CC1([C@@H](N)CC[C@@H]2CCCC23CC3)CCCCC1	2255267462	FGNIDKZRTKMRCN-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
Cc1coc(C)c1[C@H](N)CCCCC[C@H]1C[C@@H]1C	2257244713	DLFPQDHXEIOVJI-TUKIKUTGSA-N	249.398	4.503	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1C[C@H]2C[C@H]1C[C@H]2N	2259614730	OPWDQKOKOUIEHL-BSWAZPDLSA-N	249.442	4.523	0	10	BJAE	
O=C(CCC1CCCC1)C[C@]12CCCC[C@H]1CC2	2260579862	UFMUNGRUHZHJTP-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@H](N)[C@@H]2CC=CCC2)C1	2261263776	JVVYUEILLIFVCK-QDIHITRGSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1CC)[C@@H](C)CCC	2298127027	MXWPBZINVTYZHU-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@@H]1C[C@H]1CCC)NCC	2298645983	FPTWAKOXQWPELZ-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCC[C@@H](C)CC1	2300684854	YQFBEFJLVRHOEW-UKRRQHHQSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)CCCC(=O)c1ccc(C)cc1	2300686140	NBWWZVRHVWWWRN-UHFFFAOYSA-N	232.367	4.784	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1ccc(C(C)C)cc1	2300869368	HUOXRVMFGSHLDR-MRXNPFEDSA-N	232.367	4.590	0	10	BJAE	
CC(=CCC(=O)CC1CCC1)CCCC(C)C	2300909540	PCNDRHVGQYSUAL-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CCN[C@H](CC=C(C)CCCC(C)C)C1CC1	2300911300	IPCZDPVJLWXYIT-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@@](C)(N)CC1CCC(C)(C)CC1	2301942792	SOLDBUBLPYQKJO-CJNGLKHVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@@H](C)[C@@H](C)C(C)C	2301956761	VMZNDTAQKHUZQV-YHUYYLMFSA-N	241.463	4.719	0	10	BJAE	
CN[C@H](C)[C@H](CCCC1=CCCCC1)C(C)C	2302327348	YCMLCSOGCDSAPK-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](CCCC1=CCCCC1)NC	2302361386	MNDHTEMGQYHRFL-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@H]1CCC(C)(C)C1)NCC	2302674382	ACZSKOJZZPRERW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)CCC1CCCC1	2303441928	CJBRSDIUHVMBRI-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303460899	FFISZMKJQLCZDM-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1C[C@@H]2CCC[C@@H]21	2308106862	WVWNPNHTSHRNKQ-XEZPLFJOSA-N	243.394	4.585	0	10	BJAE	
N[C@@H](CC1CCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309182565	SHLJOILEJVZJDG-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2311608861	BMYGLGAMMPPYHA-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc2c(c1)N[C@@](C)(CCCC(C)C)O2	2315890343	AIHAYGJFRKWITG-MRXNPFEDSA-N	247.382	4.596	0	10	BJAE	
CC(=CC[C@@H]1CCC=C(C)[C@@H]1N)CCCC(C)C	2316567616	JNYRFXVBTNRANX-IRXDYDNUSA-N	249.442	4.833	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CC1CCCCCC1	2316883109	GFCAIMVXAHCVHW-BHYGNILZSA-N	249.442	4.667	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@H](C)C1CCC1	2317557980	FYUFQUBVGKGJLI-NSHDSACASA-N	245.341	4.525	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C[C@@H]1CCC1(C)C	2317903189	CISTZOSLZNYXPV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(F)c2c1NC[C@H](C(C)(C)C)C2	2317947966	ZUIATLHBHNJACG-LLVKDONJSA-N	249.373	4.579	0	10	BJAE	
O=C(CCCC1=CCCCC1)C[C@@H]1CC[C@H]2C[C@H]12	2318504028	UIJQVSWWXIGRBD-YQQAZPJKSA-N	246.394	4.662	0	10	BJAE	
CC(C)(C)[C@H]1CCN(CCCC2=CCCCC2)C1	2318575609	HCKYYUVCAKGDRN-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CCC(C)(C)C2)CC=CCC1	2319064533	ILJVKRSHJIZFPD-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CCC[C@H](N)c2ccccc2)C1	2319123941	NUCWABVMJAPJFA-ZBFHGGJFSA-N	245.410	4.683	0	10	BJAE	
CC[C@@H](C)C(=O)[C@@H](c1ccccc1)C1CCCC1	2319603518	QVKVZCCVABYJOU-CJNGLKHVSA-N	244.378	4.576	0	10	BJAE	
Cc1ccc(C)c(OCC[C@H]2CC[C@@H]2C2CC2)c1	2319747426	FSOGIAUUIZFNEB-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(N)CC(C)(C)C2(C)C)CC1	2320349390	YVEDTAWHQNICBU-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@@H]2CCCC[C@H]2C)CC1	2320410890	BLILOCWIXRUOFE-DJIMGWMZSA-N	249.442	4.633	0	10	BJAE	
CN[C@@H](CC[C@@H]1C[C@@H]1C)c1cccc(C(C)C)c1	2320516828	KTVKQLSRBJHWQP-LXZKKBNFSA-N	245.410	4.507	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cccc(C2CCC2)c1	2320657264	NKMSLASJHYRVLG-QWHCGFSZSA-N	244.378	4.819	0	10	BJAE	
CC1([C@@](C)(N)[C@H](CC2CC2)C2CC2)CCCCC1	2320784115	MGUVQVIHWUZOFN-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC)c1ccc(C2CC(C)(C)C2)cc1	2321031248	YDSBMCHMUPUFLV-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@@H]2CC[C@H](C)C2)c1	2327672415	DTYWAVSCICZDBP-DXCKQFNASA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1cc(C)ccc1C(C)C	2327674519	ALYXAEYVQKAWOY-WMLDXEAASA-N	247.426	4.815	0	10	BJAE	
CCCCCCc1ccc(C(=O)[C@@H]2C[C@H]2C)cc1	2327895321	ATBZOFBKRVHUMA-CZUORRHYSA-N	244.378	4.648	0	10	BJAE	
C=C=CC[C@H](O)c1ccc(CCCCCC)cc1	2327904837	FKMMPQMRZKPXBR-KRWDZBQOSA-N	244.378	4.574	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCc2cccc(C)c2N1	2328184068	SRCWUXMYOVBRDT-HOCLYGCPSA-N	245.410	4.938	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)c1cc(C)cc(C)c1	2328194818	ZHBPKGPOUAHZBW-WBVHZDCISA-N	248.410	4.727	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1c(F)cccc1F	20476081	PFNAZBSJSCPYBA-MNOVXSKESA-N	241.325	4.592	0	10	BJAE	
Cc1ccccc1/C=C\c1ccc2ccccc2n1	33415468	RAMWHOYQAGCFRN-BENRWUELSA-N	245.325	4.714	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)c1ccsc1	50343179	YZURWOZYLBYZTJ-CHWSQXEVSA-N	239.428	4.758	0	10	BJAE	
CCCC(CCC)NCC[C@@H]1CCC[C@H](C)C1	70537404	IURNCEQTSPJNOY-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)CC(CC)(CC)CNC(C)(C)C	71128064	UKYKCLKENZPWCD-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCC1CCC(N[C@@H]2CC[C@@H](CC)C2)CC1	80459999	IEXJVBQZJLIMLF-PRLABOORSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@](CC)(CCCC)CNCC	82441825	HWMLKZSWHLXCPX-HNNXBMFYSA-N	227.436	4.763	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCC[C@H](CC)C1	82847441	BWOZHWSEAHCSDC-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@@H](CCC(C)C)c1csc(C)c1	83451592	UMXKWYUKMUNKHS-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)[C@@H]1CCCC[C@@H]1CC	84399903	LIKUGBCDHYUHSV-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1C	85085463	CXWUPGRLXVIMMY-OSAQELSMSA-N	231.383	4.540	0	10	BJAE	
C[C@H]1CC[C@H](Oc2cccc(Cl)c2)C[C@@H]1C	85150632	KFQATFYKUBJJBY-MJVIPROJSA-N	238.758	4.544	0	10	BJAE	
CC(C)(C)c1ccccc1OCc1cccs1	85151986	ZHAGUWLXIBEPBA-UHFFFAOYSA-N	246.375	4.625	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Sc1ccc(N)c(C)c1	91938746	WICUCNOYJBTWFU-DOMZBBRYSA-N	249.423	4.638	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C)C1(C)CCCC1	94900349	HOFDTLJKLPSDHZ-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H](CCCN)c1ccc(C)c(C(C)(C)C)c1	107635945	QVIBEEGOEVKKKZ-AWEZNQCLSA-N	247.426	4.525	0	10	BJAE	
Cc1ccccc1[C@H](C)NCCC1CCCCC1	109898049	VPXWONRAZCZOMV-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
CCCCC1CCC(CC)(CNCCC)CC1	110449466	LNQCWMDUIVIBDO-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1NC	111235573	YOEYHHBPNOUCCV-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1cc(C)oc1C	124918292	SUCFUQHOTZKXIB-ZFWWWQNUSA-N	237.387	4.503	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1coc2ccccc12	126733986	LCRUTKHSDGTQIE-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CC(C)=CCC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C	139494506	HJLNJJIMYWZBND-MELADBBJSA-N	206.373	4.805	0	10	BJAE	
CCCCC[C@@H](C)/C=C/c1ccccc1O	209938798	NVNCCSQBEUDTOZ-XZHRJIJLSA-N	218.340	4.622	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)C1CCCCCC1	216154395	ONDHKVMVQKRJQJ-UVTDQMKNSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@@H](C)NC1C[C@H](C)C[C@@H](C)C1	219587165	RITHOBUTXYLORR-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCC[C@@H](CC)C1	227378899	FNJPDEAAPRGPQD-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CCC[C@@H](CC)C1	227392953	NMRYVCBQIZZEOT-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C[C@@H](C)CC)NC	228733231	IEXPNGDKRQANMQ-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CC1CCCC1	229175936	PWYNRENPAJKSRU-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](NCC)c1cc(C)cc(C)c1	229476942	HDQOHSJQXGLGOA-INIZCTEOSA-N	233.399	4.534	0	10	BJAE	
O=C1CCCCC[C@@H]1c1cccc(C2CCC2)c1	229625670	WXWZASXTKQSJFZ-MRXNPFEDSA-N	242.362	4.571	0	10	BJAE	
CCC(CC)[C@H](C)Nc1ccc(C(C)(C)C)cn1	232897016	RVGDHCVHVMYIDI-LBPRGKRZSA-N	248.414	4.616	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)[C@H]1CCC[C@H](CC)C1	250555673	URIMAEKJXLQSJC-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCC[C@H]1CC	251254165	BINWUADENAJRTR-ARFHVFGLSA-N	240.431	4.924	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@@H](C)C2)c1Cl	300838500	DTKFWVXJZXRZAU-PWSUYJOCSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCCC(C)(C)C	300856312	LOORSGSBWSPICP-CYBMUJFWSA-N	226.404	4.988	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@H](C)CCCC	300936672	NGQJQOLEFXBYMN-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)c1ccsc1	300989390	VPUUBIIFNNBEJQ-JSGCOSHPSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cccc(CC(C)C)c1	302437808	SZNLONMGQZSXRV-RHSMWYFYSA-N	247.426	4.711	0	10	BJAE	
Cc1ccc(NC[C@H](C)C(C)(C)C)c(Cl)c1	304364859	ZDXMOSOCDJYDCV-NSHDSACASA-N	239.790	4.743	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)C1CCC(C)(C)CC1	305994037	UBNJTEIUMQLXMI-DZGCQCFKSA-N	240.431	4.636	0	10	BJAE	
CCc1csc2cc(Cl)cc(CC)c12	306590885	YHJLOACVLUTIAD-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
Fc1cc2ccsc2c(C(F)F)c1Cl	306624473	CDQZZZAFPOENRA-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCc1cc(SC)cc2c(Cl)csc12	307174254	SQWHUFFLEKANPP-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@@H](CC(C)C)c1nc2cc(F)ccc2[nH]1	308060056	XQBVSAFVRJQUST-NSHDSACASA-N	248.345	4.632	0	10	BJAE	
CCN[C@H]([C@@H](C)CC(C)C)[C@@H](CC)CC(C)C	308090735	GNEZVPKLHOYBAW-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)C1(CC)CC1	310167963	SQETXEUPYIHBKO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](CCC(C)C)C1CC1	310220936	LFUBRSPZCIEVJD-XJKSGUPXSA-N	239.447	4.616	0	10	BJAE	
CCC1(C[C@@H](CCC2CCCC2)NC)CCC1	310273481	UDRWQUBFQIDCON-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCC(C)C)CC1CCC(C)CC1	310428319	POOJEKISJDRICX-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)c1cccc(CC)c1	310581739	ZSRZARNNASQDCT-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CC1CCC(CCCC(=O)c2ccccc2)CC1	311063739	ZOYVJXPJJVQFEB-UHFFFAOYSA-N	244.378	4.866	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@H](C)[C@@H]2C[C@@H]2C)cc1	321988513	DTPSQBMQWRGGSG-SZOQZIPDSA-N	245.410	4.505	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H](C2CCC2)C2CC2)CC1	324887735	FSPBBJCWKWEXDR-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@H]1CCCC12CCCC2	328096262	JXLRUQHQIHAEOP-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@]2(N)CCCC(C)(C)C2)CC1	380150515	IJRFMLAIYZZTME-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](N)CCC[C@@H](C)C1CCCCC1	380163333	VIYGGCUAEABODV-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H](C)C2CCCCC2)cc1	380998327	HDKPDIKGIGCDPQ-WMLDXEAASA-N	245.410	4.601	0	10	BJAE	
CC(C)CCCCCC[C@@H](CN)c1ccccc1	383148964	HARIGOWKJMXIQO-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1CCCC[C@H]1C	384585064	YBJQLNOODDUKMY-UGUYLWEFSA-N	239.447	4.747	0	10	BJAE	
CCCc1ccccc1[C@H](N)CCC1CCCC1	384619326	IGIKGFNVGBKZOL-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
N[C@H](CCCCC1=CCCCC1)c1ccccc1	384878597	SZXQTWZKVVLLHD-QGZVFWFLSA-N	243.394	4.747	0	10	BJAE	
CCC1(NCC2CCC(C)CC2)CCCCC1	389623954	IOUZGPDGCOVFRB-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(C)(C)CNCCCC1CCCCC1	395212353	KUGIDYNAXXQCJQ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@](O)(c1ccc(C(C)(C)C)cc1)C(C)(C)C	395446668	VAHLWQCPZCWLHK-KRWDZBQOSA-N	248.410	4.628	0	10	BJAE	
CCc1c(C(F)(F)F)sc2cc(C)ccc12	396313183	ZZPVUFXRRQDXIX-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCC[C@H](CC)C[C@](O)(CC)[C@@H]1CC1(C)C	397632420	VXKUVKYWQGTPQM-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1=CCCC1)NCCC	401089721	UGIBRMOVJUONQH-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1/C=C(\CN)C1CCCCC1	401757310	QLJWPYAGHQIAJG-IIFMFPPTSA-N	249.442	4.668	0	10	BJAE	
CCN[C@H](CCC(C)(C)C1CC1)C[C@@H](C)CC	405826184	REZAWYIEPNEOBJ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)NCC1(CCC)CC1	687550901	UVKHNTDBORQKAP-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@H]2CCC[C@@H](C)C2)c1	688937393	HKTBCXWIRRLKDD-KMFMINBZSA-N	246.394	4.670	0	10	BJAE	
CCC(CC)[C@H](NC)c1cccc(C(C)C)c1	688939001	NIAKVQQADRJAMK-INIZCTEOSA-N	233.399	4.507	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCCCC1CCCC1	691091057	UFTVJNUJZDYRCX-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1ccc(F)c(C)c1	691133599	FCTPAGIAURCAJV-BBRMVZONSA-N	249.373	4.905	0	10	BJAE	
CCCCCC[C@H](C)NC[C@]12CCCC[C@@H]1C2	693630386	MYUOMSFGAPMZAU-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
Clc1sccc1N[C@H]1CCC12CCCC2	694420141	SOFCTEYJNFYFLA-JTQLQIEISA-N	241.787	4.536	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C(C)(C)CC	701163336	VIJFMVMBSBZWHC-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCC[C@H](O)c1ccccc1C(C)C	703959826	JUNOUBCBGHVHOS-INIZCTEOSA-N	234.383	4.670	0	10	BJAE	
CC(C)CCC[C@]1(N)CCCCC12CCCC2	704475632	PBIYPUDFTBOSSV-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1NCC[C@H]1CC=CCC1	706867300	GWDBKWPXPWXNMI-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C)[C@H](C[C@H](C)CC(C)(C)C)C(C)C	709105752	MZGNKJLDWTXSST-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC[C@](O)(C[C@@H](C)CC(C)(C)C)C(C)(C)C	709125876	AYEXXRHTUORGJQ-WFASDCNBSA-N	228.420	4.636	0	10	BJAE	
CN[C@@H]1CCCC[C@H](C[C@@H](C)CC(C)(C)C)C1	709182479	CBEPYHSMPFGRGY-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)CCC(C)(C)C1CC1	709230715	YMEUNDRZRPUKGJ-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1(C(=O)c2cscc2Cl)CCCCC1	710355237	MZUJRSGJHAAONY-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)C[C@H](C)C(C)(C)C	710706181	IUVSHQQVFDAMBW-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CC[C@](O)(C[C@@H](C)C(C)(C)C)c1cccc(C)c1	710803138	LXESKZVTVSCOSM-PBHICJAKSA-N	248.410	4.665	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)CC(C)(C)CC	711182509	JMCNRFNUGRWHIU-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CC(C)(C)C(C)C	713143560	WSMIFDGOCKVIQR-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](N)C1CCC(C(C)C)CC1	713174392	LBVGIZVIIIYBAR-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC(C)(C)C(C)C)NC	713226582	FJPAKMVQDHTWOE-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCCCCC1(C)C	713244250	PMUUKTHEJPZDHN-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
C=C/C=C\CCCC(C)(C)CC(F)F	713670274	GRLSORUFFHIUKE-WAYWQWQTSA-N	202.288	4.580	0	10	BJAE	
C=C/C=C\CC[C@H](NC)[C@]1(C)CC[C@H](C)C1(C)C	713728097	LJQAVSLIKIZMEB-OEHNUYTISA-N	249.442	4.559	0	10	BJAE	
CCCN[C@@H](C1CC2(CCC2)C1)C1(C)CCCC1	717615769	CEGXNPFRFRMHIX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCCCCC1(C)C	719262727	VVOOQRRYMQAHPS-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CC2)C1(CC)CCCC1	723181713	GWESKNMMBHWIDF-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Clc1sccc1N[C@H]1CCCC2(CC2)C1	723567205	BWXBWKRTMLCJAJ-VIFPVBQESA-N	241.787	4.536	0	10	BJAE	
CC(C)(C)CCC[C@@H](CO)C1CCCCCC1	829254912	VOCFKYBGMSCQDL-HNNXBMFYSA-N	240.431	4.782	0	10	BJAE	
CCC[C@@H](CC)SCc1cc(F)ccc1F	1166122451	CGRJCQSFPOZPTB-GFCCVEGCSA-N	244.350	4.777	0	10	BJAE	
CCC[C@@H](CC)SCCc1ccccc1F	1307338742	HWXKEFZEDFSHHX-CYBMUJFWSA-N	240.387	4.680	0	10	BJAE	
Cc1cc(Cl)ccc1SC(C)(C)C	1775954243	AOTGXFHDLVHZBF-UHFFFAOYSA-N	214.761	4.539	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H](CC)CCCC	1900883671	RSECMPNYZKKRKI-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CC(=CCC(=O)CC(C)C)CCCC(C)C	1900899599	CIKFIAIFBWQHLE-UHFFFAOYSA-N	224.388	4.764	0	10	BJAE	
CCC(C)=CCc1nc(C)cc2sccc12	1900903694	QJMRJYHYZDLVBY-UHFFFAOYSA-N	231.364	4.504	0	10	BJAE	
CCC[C@@H](CCCC1CCCCCC1)NC	1901061746	VWSBSEKLWDNNDJ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1cccc(SCC)c1	1910737370	VLUKXVDBIHKYGE-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
C=CC=CCC[C@H](NCC)c1ccccc1Cl	1912125739	NIQIVKWWTFILSF-HNNXBMFYSA-N	249.785	4.513	0	10	BJAE	
CCCC[C@@H]1CCCCCCCC[C@@H]1NCC	1913426252	MMDBVGYAUKXWLA-CVEARBPZSA-N	239.447	4.905	0	10	BJAE	
C[C@@H](C[C@@H]1CC[C@@H](C)CC1=O)C1CCCCC1	1916065562	CWQKJBPDGGCKJW-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H](C)C1CCCCC1	1919539365	SBTNJCMKCAAREF-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)CC1(C)CCCCC1	1924089614	QGADWKYQGCQDNH-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)CCCC(C)C)c1	1925540690	WWFCACARWSPAHU-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C[C@H]1CC=CCC1	1926158974	DJPSWRPZZGSDQQ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CCC[C@H]1CC1(C)C	1940873868	CRHJHXGSASVKOF-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@H](C)CC(C)C	1940879303	WRKZZSMFMDOYJA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CCCC2(C)CC2)C1	1940884677	ZBTBDPZJRWTBJX-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](N)(CCCCCC1CC1)C(C)(C)C	1941582636	YRKWRYACICMBKC-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)CCCCCC1CC1	1941587104	PILXJONXHSLEPU-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)CCCCCC1CC1	1941591888	PAHJUQUPPAWQGW-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(NCC2CCC=CCC2)c(Cl)c1	1941820601	BULRISUHBUCOQX-UHFFFAOYSA-N	249.785	4.807	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@H](C)CCC(C)C	1942656330	AWAUWMMQDJXMBY-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)C1CCCCCCC1	1942656358	CZCBLLRTPMKZCW-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](C(C(C)C)C(C)C)[C@@H](C)CCC(C)C	1942665624	ZJXGRAYHJBGQJD-HOCLYGCPSA-N	241.463	4.575	0	10	BJAE	
CCCC(N)(CCC)CC1C[C@@H](C)C[C@H](C)C1	1944206245	XDIOWCJRPUBUKL-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)c1cccc2ccsc12	1944660425	IDDVUHPHQFQXIV-AWEZNQCLSA-N	247.407	4.583	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CCCCCC1(C)C	1944843784	UMCSVBUFWDKVAG-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCNC[C@H]1CCC	1944891209	NSQARKNOFOOJIM-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC(C)(C)NCCCC1CCCCC1	1946972678	RGTBXYDCWKOOSQ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCC1)CC(C)(C)C	1947594770	ZWEITNRAEOJXGL-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](C)NCC1CC(C)(CC)C1	1948406257	XXWPSPHLYNGIHH-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCCCC(C)(F)F)CC(C)C	1948849862	OUCQQYQNNCZRSF-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2C[C@@H]2CC)CC1	1949026544	LCEBIDHTWFGKPM-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)CC1CC2(CCC2)C1)C(C)(C)C	1949733394	JTFMZGRVJGCFOL-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCCC(F)(F)CC)C(C)(C)C	1949824958	HFZQMBKAWXRWHO-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@]1(CNC(C)(C)C)CC12CCCCC2	1950602750	UNXFOTHETCREQR-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CN(Cc1ccccc1)CC(C)C	1953230630	IHAYRQQUIUGSRO-UHFFFAOYSA-N	247.426	4.581	0	10	BJAE	
F[C@@H]1CCCC[C@H]1C[C@H]1C=CCCCC1	1962586923	XHVHRIAXZPGIMO-MELADBBJSA-N	210.336	4.651	0	10	BJAE	
c1ccc(CNc2ccccc2C2CCC2)cc1	1966032682	SGUXVXJSONCISG-UHFFFAOYSA-N	237.346	4.566	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1Nc1cccc(Cl)c1	1968259028	FKDPRGIYVKSORU-FZMZJTMJSA-N	237.774	4.577	0	10	BJAE	
Cc1cc(NCC2CCC3(CC2)CC3)ccc1F	1968592205	TWQWOHOFQPYBEL-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CCC1CCC(NC2CC3(C2)CC(C)(C)C3)CC1	1968674500	VTICVHHENGWPQZ-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1N[C@H]1CCCC2(CCC2)C1	1971811386	AABCKVFLLQDEQA-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(N[C@H](C)C(C)(C)CC)ccc1F	1971992733	TZSFNUDGNMVOQX-LLVKDONJSA-N	237.362	4.625	0	10	BJAE	
C[C@]12CCC[C@H]1N(CCC1CCCCC1)CCC2	1973676904	ADXCJMVHAZMQLT-IAGOWNOFSA-N	249.442	4.611	0	10	BJAE	
CC=CCCC[C@H](N)C[C@@H](CC)C(C)(C)C	1984650017	STCNGONGLRDZCF-KGLIPLIRSA-N	225.420	4.523	0	10	BJAE	
C1=C[C@H](CCC2C[C@@H]3CCC[C@H]3C2)CCC1	1986157702	VPLRGPOMQSWHOA-BPUTZDHNSA-N	218.384	4.949	0	10	BJAE	
CCCCC[C@@H](N)C[C@H]1CC[C@H](CC)CC1	1989811841	JIDQZGDZZKSNHN-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCC1CCC(CC(=O)c2ccsc2)CC1	1989837039	NUOKHYNNBQPCGN-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
CCCC[C@@H](CC)c1nc([C@H](C)OC)cs1	1990974067	VZJUQVGNIRUFTR-WDEREUQCSA-N	241.400	4.534	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H](C)CCCC	1992048464	DOIUQEJKOXOYIN-DZGCQCFKSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCC(C)(C)C	1995213421	BZTGFFHKYOKAJN-ZDUSSCGKSA-N	226.404	4.988	0	10	BJAE	
CC=C[C@@H](C)N[C@H](CC)C1CCC(C)(C)CC1	1996589930	SDPCVGVTYFEZFN-UKRRQHHQSA-N	237.431	4.536	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCCC(C)(C)C1)C(C)(C)C	2000103709	AENVXIPZWGDPII-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC(C)C1(C(=O)CCC[C@H]2CC2(C)C)CCC1	2000196932	PPDDIQVTFOTLID-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C1(C)CCCCCC1	2000212047	RLXXOCREIIHPAU-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](CC)(CCCC1CCC1)CNC	2000505382	QJDZSCFYDXNDPN-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)CN(CC)CCC[C@@H]1CC1(C)C	2000900239	LSFFZKGVLLDQGC-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](C[C@@H]1CC12CCCCC2)NCC	2001218796	YBIYWKLFLGPACZ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1CC12CCCC2	2001249539	FAJYJKRDKDLPOZ-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](O)[C@H]1CCCCC12CCCCC2	2001561486	NHCQUTOMVMWZRQ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C1CC(C(C)(C)C)C1	2002308018	SEYUXRTUEIYFGI-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@H](O)C1(C)CCCCCCC1	2004923856	VJPVACHLLOQFDE-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CO)CCCC12CCC2	2005573607	RIRIXHGLFXFQQX-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCCCC[C@@H]1C[C@H](CC)C[C@H](NCCC)C1	2006625475	XRDQZWWVZDPLCK-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@H]2CCC[C@@H](C)C2)C1	2006675008	XEXFOMVHALDXES-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1CC(C[C@](C)(N)CCC(C)(C)C)C1	2007746883	NSCCCIXHMYSLAM-ZBCRRDGASA-N	239.447	4.602	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H]1CCC[C@@H](CC)C1	2007863611	UDTAWHGWENXORA-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H]1CCC(C)(C)CC[C@H]1CCC(C)C	2009411050	NAZIZYATPUWABP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC=CCCCC(=O)[C@@]12CCCC[C@@H]1CCC2	2009572362	MEQATSJVXMPKNN-GDBMZVCRSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C1=CC[C@@H](C)CC1	2010623888	JOLJFSRULCOQKO-BMFZPTHFSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)C[C@@H](C)C(C)(C)C)CC1	2010763666	LUAGIMYOMVBLRM-NFAWXSAZSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C[C@]12CCC[C@H]1C2	2011023741	GUKFDPSWIMMMJJ-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C1=CCCCCCC1	2013264419	MXEOAUGMNDVIMR-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC(C)c1ccccc1-c1cscc1[C@H](C)N	2013599964	ILMUWUXNEIBODM-NSHDSACASA-N	245.391	4.558	0	10	BJAE	
CC(C)C(C[C@H](N)CC1=CCCCC1)C(C)C	2015283263	CGHUMBAJQJPHLL-OAHLLOKOSA-N	237.431	4.523	0	10	BJAE	
CCCCCC1CC(N(C)C[C@@H](C)C(C)C)C1	2015334938	QOAGODDIXPMGAA-QQFBHYJXSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(CC[C@H](N)[C@H](C)C(C)(C)C)C(C)C	2015357742	MVRXUJOMEUXOCO-ZFWWWQNUSA-N	241.463	4.704	0	10	BJAE	
CCCC1(CC(=O)C2(C)CCCCC2)CCC1	2015585094	XVQNFZFLDQVYOQ-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC1(C[C@@H](CC2(C)CC2)NCC)CCC1	2015643407	BMRBKLZJRDYOFN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1csc(C)c1C(=O)C1(CC2CCC2)CC1	2015789111	SDFPLBHKACSRIY-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCC1(C[C@@]2(O)CCCC[C@@H]2C(C)C)CC1	2018980025	LXUCBLNCZSGATQ-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC2(CC)CC2)CC1	2018983469	XAMMTKBOPFOFBI-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC1(C[C@@H](CCC2CCCCC2)NC)CC1	2018990988	RBXIWBPLHOUWMH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)N(C)[C@@H](C)[C@@H]1CCCC(C)(C)C1	2019296960	FCOOWGXKIZMBGZ-UONOGXRCSA-N	239.447	4.712	0	10	BJAE	
CCCC[C@H](CC)CNCCCCC(C)(F)F	2023299214	IURBUKDMAVNUIK-ZDUSSCGKSA-N	249.389	4.618	0	10	BJAE	
CC(C)CCCCC[C@H](N)CCCC(C)(F)F	2023304262	LWXZMDYPDFXUDV-ZDUSSCGKSA-N	249.389	4.746	0	10	BJAE	
CCCc1ccccc1-c1cc(Cl)c(C)cn1	2023461065	IBMNIORIDYYKKX-UHFFFAOYSA-N	245.753	4.663	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@](C)(N)CC2CCC2)C1	2024095196	PVTNCROWTVGXDK-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H](C)c1ccc(F)cc1	2027023368	FIZVAHJTSHWVQN-CQSZACIVSA-N	249.373	4.565	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)c1ccccc1C1CC1	2028560747	SZVHYASNAOKYNW-BLLLJJGKSA-N	246.394	4.670	0	10	BJAE	
C[C@H]1CCC[C@H]1CNc1cccc(C2CCC2)c1	2032512435	AXPKFPMHCOWMSC-BBRMVZONSA-N	243.394	4.802	0	10	BJAE	
NC1(CCC2CCCC2)C[C@H]2CCCCC[C@@H]2C1	2035862165	QUCBHUJBDJJCMG-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1(CNC[C@H]2CC23CCCC3)CCCCCC1	2036130834	XPZBOWPRTFSWJG-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCC1(C)CC([C@H](CC2CCC=CCC2)NC)C1	2036486514	FJEHTELBUVFSPK-CGZBRXJRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)CC1CC2(CC2)C1	2036732894	VVQODHCHKWNNOH-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C2=CCCCCCC2)CC1	2037074390	MZIMWEGBPFGONY-DOTOQJQBSA-N	249.442	4.955	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@]1(N)C1CC2(CCC2)C1	2037135346	IFKRGVOACQMFJM-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c([C@H](N)CCCC2(C)CC2)cc1C	2037178139	MDAYVGVMPLQOHA-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@@H]1CCC[C@H]1C	2037191014	REALTGRGDBAKCV-IVSAIRAKSA-N	249.442	4.667	0	10	BJAE	
CC(C)CC[C@](N)(CC1CCC=CCC1)C1CC1	2037208069	ODYWLXGEDKEWNX-KRWDZBQOSA-N	249.442	4.667	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H]1C=CCCC1	2037306816	YDBIUTYYWMVCSC-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N([C@H]2CCC3(CCCC3)C2)C1	2037673934	AHXYFAHNFJHQEC-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)[C@H]2CCC3(CCCC3)C2)C1	2037684260	YPRBWSKQZSUQID-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CC([C@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037687340	ROTXVVKDOSLFMW-JWMHWRSXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@H]2CCC3(CCCC3)C2)C[C@H]1N	2037867064	VMYXLGXXZPDDBQ-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CC(C)(C)C1)C[C@H]1C=CCCC1	2037973283	WTHPTCUQSMRUDH-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCCC1CC2(CCC2)C1	2038097385	VSRYLXMLVHYPNK-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CNC[C@]1(C[C@H]2C=CCC2)CCCC(C)(C)CC1	2039384975	KRPPTZQNALAGCB-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](CC12CCC(CC1)C2)C1CCCCCC1	2039416346	UEYKLGTVXHFXQK-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCCCC[C@H]1C	2039452566	KLIOOMVXNCDNJD-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](N[C@H](C)C12CCC(CC1)C2)C1CCC1	2039866310	XIIAEFKCGBPLBD-CGBMDKKTSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)CC[C@@H]3CCCC[C@@H]3C2)C1	2040166583	QJJNYMNGUCWIAV-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@@]1(C)CC=CCC1	2042026983	JFYGQXDMBTYXGJ-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC1C[C@@H]2CC=CC[C@H]2C1	2042347921	OWUSPIBVNBDEDZ-VGWMRTNUSA-N	249.442	4.536	0	10	BJAE	
C[C@@H](CC1CC(C(C)(C)C)C1)c1cccc(N)c1	2043003619	DTCHLIQVSXQQHI-OPFPJEHXSA-N	245.410	4.835	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N(C)CC1CCC=CCC1	2045312980	SVBZXSVDIFMNQD-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(C[C@H]2CCC=CCCC2)C1	2045318715	XUQAABBWBKWEOK-YVSFHVDLSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H]1CC[C@H](C[C@@H]2CCC=CCCC2)[C@H]1C	2045326691	PPWOCEHHDVOVPK-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)CN(C[C@@H]1C=CCCCC1)C1CCCC1	2046576189	ZCFISMWXCNNCMJ-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@H]2CC23CCCC3)C1	2047009245	QCKHPQBOHJMPLK-OWCLPIDISA-N	249.442	4.502	0	10	BJAE	
CN[C@@H](C[C@@H]1CC12CCCC2)C1CCCCCC1	2047024287	SVIHSTLASZQHPK-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@H]1CC(C)=C[C@H](C)C1	2048875527	XIDAMZXQZMTULS-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2CCC3(CC2)CC3)C1	2049853450	DYMAYNRQLSFAKZ-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@@H]2CCCC3(CC3)C2)C1	2049938842	VKCFAJSQTFKEMC-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCCC1CCCCC1	2050460853	NJWBIDHHBPRBHT-KRWDZBQOSA-N	245.410	4.745	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@H]2CC[C@@H]21)C1CCCC1	2052307105	FUUWHYSLGDWKPA-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCCCC23CC3)c(C)c1	2053307890	QAMCIPIPNZPBIV-HNNXBMFYSA-N	243.394	4.747	0	10	BJAE	
CC(C)(C)NC[C@@]1(C2CCCC2)CCCC12CC2	2053354405	FSDZGMQGXPIPCK-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1NCC(C)(C)C1CCCCC1	2055562614	DTZDUWJJDLQJCX-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C=C1CCCC1)C1CCC(C(C)C)CC1	2056877836	DJTCCFBBPMZNFE-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@]2(CCN2C2CCCCCC2)C1	2058153857	AEGYWIXGXXBRPE-QGZVFWFLSA-N	249.442	4.754	0	10	BJAE	
C/C=C/CCCC[C@@H](NCC)c1ccccc1C	2059247780	VEJXVTMPOULJED-UKINESCASA-N	245.410	4.782	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1CC[C@H]2C[C@@H]2CC1	2059251883	COQHTACPZXHUAS-GGACTWEQSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H]2CCCCCC2=O)CC1	2061192543	QBOZXXKRJGXTKN-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
C=C=CCC[C@]1(CNCC(C)C)CC[C@H](CC)C1	2061565793	GHKJRMRTLZZVST-IRXDYDNUSA-N	249.442	4.550	0	10	BJAE	
CC(C)(C)NCC1(CC[C@@]23CCC[C@H]2C3)CCC1	2061613887	BMZLZGWLVSBYKU-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063486741	LIWRUMOGFVVQTL-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NCCC=CCC1C[C@@H]2CCC[C@H]2C1	2063488716	CSFLPIQUIOZJFL-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063500013	FGOGSAWATIHLOZ-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1=CCCCC1)CC1C[C@H]2CCC[C@@H]2C1	2063534927	DDIBSEFQNBWPDQ-HZPDHXFCSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC(C[C@@H](N)CC23CCC(CC2)CC3)C1	2065306427	VRFFLKSLKIVQJG-GNHJJJEISA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc([C@H]2CCC[C@H](C(C)C)N2)c1	2066380154	FOTSIXVYSLHJKQ-IAGOWNOFSA-N	245.410	4.649	0	10	BJAE	
C[C@@H](CCC1CCCCC1)c1ccc(CN)cc1	2067356849	TUUMTSIZYCVNBG-AWEZNQCLSA-N	245.410	4.609	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068762793	CECGSPMSAYJNTG-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)c1cc(C)cc(C)c1	2068821330	GZQSJVSPLFAUBJ-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1(CC2CC2)CCC1	2069517233	JWIMOJRTNJCSIT-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCCN(C)C1CC(C2CCCCC2)C1	2069612003	YIYADDYMTXEPLC-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
C1CCCC(CN[C@@H]2CC[C@H]2C2CCC2)CCC1	2071828851	CKNMAPXKOYRQOY-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](N)CC2(C(C)C)CCC2)c1C	2071950010	QHVCJFNUHBJXSA-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)C[C@H]1CC[C@H](C)CC1	2072793363	JMSFORJJQLKGBD-DWBZUHSKSA-N	249.442	4.523	0	10	BJAE	
CCC1CCC(C[C@]2(N)CC3CCC2CC3)CC1	2072805523	CTHACMWGHJSXSM-HWBDBZLXSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@@]2(C)CC=CCC2)CC1	2072809013	KRLZQBXSSQFUHZ-BACDZXNISA-N	249.442	4.667	0	10	BJAE	
CCC1(C[C@@](O)(CC(C)C)c2ccccc2)CC1	2074619114	NBDVSZDYSRXZJT-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CN(C1CC(C)(C)C(C)(C)C1)[C@@H]1C=CCCCC1	2075406484	CLXNFGDMTWRDEH-CQSZACIVSA-N	249.442	4.632	0	10	BJAE	
CCCN(C1CCCCC1)[C@@H]1C=CCCCCC1	2076583857	FYWHFVQRCBYLQE-MRXNPFEDSA-N	249.442	4.920	0	10	BJAE	
CC=C(CC)[C@H](C[C@@H]1CCC[C@H]2C[C@H]12)NCCC	2077197634	SKRQBQCLKIBXPL-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN[C@@H]1CCC2(CCCCC2)C1	2079451458	QOJUXELAACXDIW-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@H]1C[C@H]1C1CCCC1	2079473134	JRKIAGALSSWPQP-HOTGVXAUSA-N	246.394	4.662	0	10	BJAE	
CC(C)=CCC[C@@H](N)[C@H]1C[C@H]1C1CCCCCC1	2079786014	LQMRMHZYGSNOQW-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
O[C@]1(C2=CCCCCC2)CCC[C@H]2CCCC[C@@H]21	2081119945	ZPJYBDXNEMVUQM-PVAVHDDUSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1[C@@H](C)NCCCCC(C)C	2081209628	RVQHXJACMFSGET-OAHLLOKOSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1C[C@@H]2CC[C@@H]2C1	2081779025	LKJNYBUBHRCUPD-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@@H](N)[C@@H](CC2CC(C)(C)CC(C)(C)C2)C1	2082988964	XXBITKVUYBJREC-HUUCEWRRSA-N	249.442	4.523	0	10	BJAE	
CCC1CC(CCNC[C@@H]2CCC=CCCC2)C1	2084913811	BXSGZTZQPPHSAZ-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(C[C@@H]2CCCC3(CC3)C2)C1	2085304224	ZAINAVHKAJHYBK-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(N[C@H]2C[C@H]3CCC[C@H]2C3)ccc1C	2086154497	UVBVMGBACPOFRJ-QRTARXTBSA-N	243.394	4.548	0	10	BJAE	
Nc1ccccc1CCCCCCCC1CC1	2213574808	YNACBTMVJFAKDD-UHFFFAOYSA-N	231.383	4.562	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)CCCCCCC1CC1	2213581335	VHYMOSAYUNNAHN-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)CCCCC1CC1	2214551674	HPLJJUUVRDDQJR-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC1(C)CC2(CCC2)C1	2215463447	BBLODZCYZYRZQU-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)c2ccc(Cl)cc2)CC1	2215822839	BTEPNYXNQHIVDI-OAHLLOKOSA-N	248.753	4.659	0	10	BJAE	
C[C@@H](CC(=O)CCCCC(F)F)CC(C)(C)C	2216521110	FDVGAMOJCHLZRS-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
C[C@H]1CC[C@H](NCCCCCCCC2CC2)C1	2216871485	LIFOONFORJVXJK-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC1CC(CN[C@@H](C)CC)(C[C@@H](C)CC)C1	2217127675	DXSGLSWEXQGMBD-FXQLRMTLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@]1(CN[C@H](C)CC)CCC[C@@H]1C	2217153911	PGVTVGRVQFMAPR-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C1C[C@H]2CCC[C@H](C1)C2	2218333644	RQCAEPZVPPNQAE-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1CC[C@@H]1C	2220519539	IPZHMDICJKQAOC-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cc(N[C@@]2(C)CCC(C)(C)C2)ccn1	2220887361	HSABJBVVOLLUBN-INIZCTEOSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1ccc(C2(C)CC2)cc1	2220925661	RCWNJMUHACBVNU-ZIAGYGMSSA-N	243.394	4.586	0	10	BJAE	
CC1=CC[C@@](C)(NC[C@H]2CCC=CCCC2)CC1	2221598356	AUOPRNGVZDIJIX-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)C[C@]1(C)CC=CCC1	2221602547	QZXPFSIAKFALJN-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CN(CCC1=CCCCC1)C[C@]1(C)CC=CCC1	2221602972	FZEZBTBCRBZUIS-QGZVFWFLSA-N	247.426	4.555	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CCCC1CCC1)N2	2224124219	LJFJLXDJRPICJT-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
CCCCc1ccc([C@@H](CCC)NCC)s1	2242599071	PMZHTEPFDMXNQM-CYBMUJFWSA-N	239.428	4.541	0	10	BJAE	
CCC[C@H](CC[C@H](C)CCCC(C)C)NC	2244848344	ZGJSVDVTWRYDIY-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC(=O)[C@@H](C)CC[C@@H](C)CCCC(C)C	2244850664	GQGFHVAWQVMZDQ-KBPBESRZSA-N	226.404	4.844	0	10	BJAE	
CCC[C@](C)(CN)CC[C@@H]1CCCCC12CC2	2246629407	GDRATRYFNOMMNS-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC[C@@H]1CCC[C@H](C)C1	2246690734	BJUCENKZPVDALZ-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CCCC[C@H]1C[C@@H]1C	2247157543	DHGYFGCRQNJFOL-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1csc(C2CC2)c1	2248043976	FTDDGUKFWJMPFN-AWEZNQCLSA-N	249.423	4.762	0	10	BJAE	
CCC[C@](N)(CCCCC[C@H]1C[C@H]1C)C1CC1	2248879083	LHOIVFZIQODASM-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Nc1cccc(C(C)(C)C)c1	2249256981	AIRQRLFFLUGYAS-DOMZBBRYSA-N	231.383	4.585	0	10	BJAE	
CC(C)c1cccc(NC2CCC(F)CC2)c1	2250170521	OKDPOBGQFLIGKL-UHFFFAOYSA-N	235.346	4.503	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H](C)c1ccccc1	2250353495	VLWCXZJHARIZQN-KGLIPLIRSA-N	232.367	4.576	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)C1=CCCCCCC1	2250358159	KKUZBJFGDSXNHN-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC[C@H]1CCC[C@@H](C)C1	2250389715	LQUSECMYQPHIRN-WCVJEAGWSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@H]1CCCCN1	2250468490	DRODNMPEEQJFJH-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC)C[C@]12CCCC[C@@H]1CC2	2251217745	SDUJQHFZYMVAON-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H]1CCC(C)(C)[C@H]1NCCC	2251714729	YVJLVSFTTYVWGO-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(-c2nc(C3CC(C)C3)cs2)cc1	2252755078	UHWXBBFPRSDJJT-UHFFFAOYSA-N	243.375	4.632	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CCCCC23CC3)c1	2253785747	XKNACDKVRYJMGY-HNNXBMFYSA-N	242.362	4.538	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(N)C[C@H]3CC[C@@H](C3)C2)C1	2253997864	SDIPJJUFXWGRAL-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@H](C)C1)[C@H]1CC[C@@H](N)CC1	2254000054	BBDYLWRAFONTJC-QSPRXWTASA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@]1(CN)CCCC12CCC2	2254586735	PFDVAHPSCZJXQI-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H]3CC[C@H](C3)C2)cc(C)c1C	2258233216	KZRCKUKRSROUMK-QLPKVWCKSA-N	243.394	4.602	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)c1ccc(C)cc1C	2259455122	QXKMZVLEXNCXAS-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CC1(C)CCC(CN[C@@]23CCCC[C@H]2CC3)CC1	2260548068	CNRYVXIUUOQXCK-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@]23CCC[C@H]2CC3)C1	2260607122	MCGPUJANQGNIDX-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCC1)c1cccc(C2CCCC2)c1	2260676117	VMUOUVBRFDDJQV-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3C[C@H]32)cc(C2CCCC2)c1	2260736080	SAEOAPZPOGGTMZ-USXIJHARSA-N	241.378	4.555	0	10	BJAE	
C[C@H](C[C@H]1CCNc2ccc(F)cc21)C1CCC1	2261340565	WZGBOPQYEDXBGH-DGCLKSJQSA-N	247.357	4.551	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CC[C@@H]2C[C@@H]2C)CC1	2298125646	QKGYSQUASCRCMY-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1c(F)cccc1F	2300500043	CRJSCACCBUTMFO-LLVKDONJSA-N	241.325	4.592	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC(C)(C)CC[C@@H]1O	2300687460	CLPIOSHUKYSXJK-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCC(C)=CC[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C	2300864186	YCHDEAFGYXHCNN-ZIAGYGMSSA-N	238.415	4.556	0	10	BJAE	
CC(=CCNc1ccccc1)CCCC(C)C	2300866363	ZZJRSFNTJULDNM-UHFFFAOYSA-N	231.383	4.871	0	10	BJAE	
CN[C@H]1CC[C@H](CC=C(C)CCCC(C)C)C1	2300886779	ALOJZXMSLHRPQB-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCC1CC([C@@H](O)CC2CCCCCC2)C1	2301204265	JZVXUQBZHIUMLX-GPANFISMSA-N	238.415	4.534	0	10	BJAE	
CN[C@H]([C@H](C)[C@@H](C)C(C)C)C(C)(C)C(C)(C)C	2301952710	KMDMGHIJNCPPMW-BFHYXJOUSA-N	241.463	4.575	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)CCCCC1CC1	2302574675	PGAOWIFEEQTZEK-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CCC(C)(C)C1)C(C)(C)C	2302878567	QJVWUNFQKIEJJI-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)CC2(C)CCCC2)C1	2302883254	UFDGGBSUEYVZQH-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@@]2(C(C)C)C[C@H]12	2302886202	FXYNWVNTMUWJFI-NFAWXSAZSA-N	249.423	4.547	0	10	BJAE	
FC(F)CC12CC(CC3CC(=C4CC4)C3)(C1)C2	2304429158	UKPOHVZLYGXBIV-UHFFFAOYSA-N	238.321	4.702	0	10	BJAE	
CCCCCC(CCCCC)N[C@H]1C[C@H](F)C1	2307385797	PJJIMKGEMLPFCS-CTYIDZIISA-N	243.410	4.606	0	10	BJAE	
CCc1ccc(OC)c(CCC(C)=C(C)C)c1	2307577792	QLJLGTRYRQQKRA-UHFFFAOYSA-N	232.367	4.547	0	10	BJAE	
CCC[C@H](CC)CN1CCC[C@@H](C(C)(C)C)C1	2307750637	XGHBFSCCHNPWGB-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)CN(C)C1CCC(C)(C)CC1	2307752044	NIGYLIDONRZSNO-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)[C@@H]1CC12CCCCC2	2307893906	PASQYBGODXNRCV-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cc(C)ccc1C	2307895977	SLBIBXZIUXEPHH-GDBMZVCRSA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](CC)CN(C)C[C@H]1CCC(C)(C)C1	2307901943	HYFCZBHQPMWURE-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313346455	KHALMFPPIBGEAZ-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C(CC1CC1)CC1CC1	2313596156	GKSHZORZAFSQNJ-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@@H](N)C[C@@H](C)C(C)(C)C)ccc1C	2314701618	DRSKHVGFVAMNCZ-CJNGLKHVSA-N	247.426	4.630	0	10	BJAE	
CC(=CC=C[C@H]1CNC(C)(C)C1)CCCC(C)C	2316556442	FRBZWGLYPOBWPP-MRXNPFEDSA-N	249.442	4.703	0	10	BJAE	
CC1(CC(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316793569	XSWLGVLAKSCOFT-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C1(C)CC=CC1	2316887350	XEZCSYMQFOGJCJ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)N1	2316940225	OPCPVQIZJGXGEO-FIDHJVLJSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C(C(=O)CCCC2=CCCCC2)C1(C)C	2318572688	IPQJJNCSELGTKT-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@@H]2CCC(C)(C)C2)C1	2319129263	PCKBTPKROBZSSL-QEJZJMRPSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@H]1CC[C@H]1C1CC1	2319587706	IACFENNPILZCKG-JWDQPFGJSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@H]2CCC(C)(C)C2)CC1	2320334385	OQJFSGCLABKDDH-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)[C@@H]1CCCCC12CCC2	2320403798	PJMSNVJAILXOEX-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C)(C(=O)[C@H](CC2CC2)C2CC2)CC1	2320815509	HTBDXPWKZXWVJH-YAJUMTOWSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)C2(C)CC(C)C2)c1	2327785922	CDUBGRZPPHLEGG-UHFFFAOYSA-N	244.378	4.737	0	10	BJAE	
CC(C)C[C@@H](C)Nc1ccc(Cl)c(Cl)c1	19983386	OJAZNWUKEYCKBE-SECBINFHSA-N	246.181	4.840	0	10	BJAE	
CCc1ccc([C@H](C)N[C@@H](C)CCC(C)C)cc1	21041905	QXYIYXQUOILOMW-GJZGRUSLSA-N	247.426	4.724	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc(C)c(F)c1	21809772	SVVMFLVTGHARSE-YPMHNXCESA-N	237.362	4.761	0	10	BJAE	
CCCCc1ccc([C@H](NC)C(CC)CC)cc1	35493310	JYKUDUBOBUZBDK-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H](C)CN[C@@H](C)c1ccc(C(C)C)cc1	37044388	YAXVAELRWNCTKV-KGLIPLIRSA-N	233.399	4.507	0	10	BJAE	
Cc1ccccc1N[C@H]1CC[C@H]2CCCC[C@@H]2C1	37216391	QOHKANFHZFATRQ-OAGGEKHMSA-N	243.394	4.766	0	10	BJAE	
COc1ccc(Cl)cc1[C@@H](C)c1ccccc1	38302858	HYYRWCIIGUKIQC-NSHDSACASA-N	246.737	4.500	0	10	BJAE	
Cc1cc(N[C@@H](C)c2ccccc2C)ccc1F	61117548	FPKDHYVRKOGSNO-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCCC[C@H](O)c1cc(C)c(Cl)cc1C	70023802	UYEYRPDOMZWBSH-AWEZNQCLSA-N	240.774	4.571	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccc(C)c(C)c1	70977611	NVEDIRRRWTYPLM-GDBMZVCRSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CC[C@H](N)c1ccccc1	80391107	FJSBTJZTHZCYGT-VYDXJSESSA-N	245.410	4.683	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CCC(C)C)CC1	83437363	QUJCLOGKVBAIIL-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1-c1cccc(N)c1	84054033	MUFXWBKZDGNWTR-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
C[C-]1C=C(c2ccccc2)OC(c2ccccc2)=C1	96300961	NLSZBMIGKLNLHK-UHFFFAOYSA-N	247.317	4.693	0	10	BJAE	
CCCC[C@@H](CC)CNc1c(F)cccc1F	110159862	XPCOMULKDWJFAW-LLVKDONJSA-N	241.325	4.593	0	10	BJAE	
CCC(CC)[C@@H](C)NCC[C@@H](C)c1ccccc1	111666731	RWFLGFSUHUCASV-HUUCEWRRSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@@H](CC)CC(C)(C)CCNC1CC1	133962571	WRJQBPHTOINNNA-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](NCC)C1(CC(C)C)CCCC1	158237648	ICZNXYINVHELCX-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CCC[C@@H](C)C2)c(C)c1	166266849	DGSZBLSKGRKHFT-ABAIWWIYSA-N	244.378	4.621	0	10	BJAE	
CCCNC[C@H]1CCCC[C@H]1CCCC(C)C	166350167	YLUWPJWFIZGDFB-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
Cc1ccccc1/C=C\c1ccccc1Cl	169619065	BYUKSFLZJPPSRM-KHPPLWFESA-N	228.722	4.819	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CCCC2(C)C)cc1C	226788376	FDTCCKRMNVLUEZ-HNNXBMFYSA-N	244.378	4.621	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1CCC[C@@H](C)C1	227574887	UEZSYUWNLXRKMT-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCSc1ccc(C(=O)CC2CCCC2)cc1	233828406	ZTWZSQLKYMYLFO-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC[C@](O)(C1=CCCCCCC1)c1ccccc1	234089375	YRTPIOCILCGIMT-KRWDZBQOSA-N	244.378	4.565	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@H](C)NC(C)C	251265891	CHHYLUGQKVWJDK-ILXRZTDVSA-N	227.436	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCCC[C@H]1CC	251417369	YCVSPGQWOCZAQZ-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CCC(c2ccccc2C(C)(C)N)CC1	258230487	BXBUFIKNOJDDJL-UHFFFAOYSA-N	245.410	4.564	0	10	BJAE	
C[C@](F)(c1ccc(O)cc1)C1CCCCCC1	258294175	DFRVUSKZJULYEL-OAHLLOKOSA-N	236.330	4.547	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC2(C)C)c1Cl	300873296	LHHUAHGSISFCRV-GFCCVEGCSA-N	237.774	4.639	0	10	BJAE	
O[C@@H](CCC1CCCC1)CC1CCCCCC1	302276219	SPHTWVZNYNIZOR-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)C1=CCCCCC1	302318434	GSHFGBVUWNDCKB-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1C[C@H](C)CC(O)(CCC2CCCCC2)C1	305895637	GVMSVCVQKZCORH-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCNCC(CC)(CC)CCC1CCCCC1	305915204	GPHUOYUCYHMTRG-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CSc1c(C)cc(Cl)c2sccc12	307001996	CISPKZFGUGASRW-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](C[C@@H](C)CC)NCC	308040234	AKRDJANDDIAKEA-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)C)[C@@H](C)C(C)C	309993918	OXAOPKXWYWRGEQ-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2C=CCCCCC2)cc1	310655656	PNNHHTQMESFHRD-NVXWUHKLSA-N	243.394	4.535	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CCCC12CCCCC2	313057480	YGBVNJGYNMZIAF-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@@H](CCC)C1CCCC1	313455407	XHYFKIKFIBPAKR-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@]1(CCCC(C)(C)C)CC[C@H](C)C1	317252808	LKFINZWIQAWCHX-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC(C)NC[C@@]1(CCC(C)(C)C)CCC[C@H]1C	317524503	GFKPIQHOYMVPGF-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1(CC=C(C)C)CCC[C@@H](C)C1	317707506	IAGNZUVZBGETIA-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC1CCC(CNC2CC2)(CC2(C)CCC2)CC1	317931119	PUVZBQPRZQNURG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@@H](C)[C@H](C)CC	319132663	JBWOOPMUJNTPTO-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC(C)(C)CC1)C1CCC1	324675303	PJYQKELWKUSTNL-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccc2c(c1)CCCC2	380656224	PWCXKWSXMDUOBJ-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)c1csc(C)c1	381360081	HAPDQKAIJOTRKN-BXUZGUMPSA-N	239.428	4.533	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@H](C)C(C)(C)C	383256151	WZZXKXXYQWLVPG-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
CC(C)CCCCC[C@@]1(C(C)(C)C)CCCN1	383312051	WAXFWKPJROTOFJ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@H](CO)CCCCCC(C)C)cc1	383479342	DNYLSCFYWYWCKX-KRWDZBQOSA-N	248.410	4.677	0	10	BJAE	
CCCC1([C@@H](O)CCCCCC(C)C)CC1	383544471	PFBBGMHKDBRCMN-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@]2(O)CCCCC2(C)C)C1	383641693	ZZZMVCPAGSCJCF-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@H](N)c1ccc2ccccc2c1C	384677507	FLVYFIOKNCYQIB-SJCJKPOMSA-N	241.378	4.584	0	10	BJAE	
CC1([C@@H](N)CCC2=CCCCC2)CCCCC1	385813671	QNYNTHOFFWXLGM-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H](C)C2CCCCC2)c1	386539955	RACYSBJEJDTISH-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1ccc2sccc2c1	386643887	OWBPPRDDBMTLEB-ABAIWWIYSA-N	248.391	4.617	0	10	BJAE	
Cc1ccc(F)c(C(=O)C[C@H]2CCC[C@H](C)C2)c1	394148001	FOVHDAJNMADYBN-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NCCCCCC(C)C	394765547	PRSLNOWYIHLXLB-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
C[C@@H](C[C@H](N)C[C@@H](C)c1ccccc1)C(C)(C)C	395033352	LHMLHYMKKGGSIW-IJEWVQPXSA-N	247.426	4.580	0	10	BJAE	
CCc1cc(C(F)(F)F)cc2c(F)csc12	396298437	MOOIBKTUWDFVSZ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@@H]2CC=CCC2)cc1	402411895	SMPILHASTOQHDT-PBHICJAKSA-N	244.378	4.590	0	10	BJAE	
CC(C)CC1([C@@H](N)CCCC2CC2)CCCC1	405766994	YHXLJDHOQDVZTP-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
c1cc2cc(NCCCC3CCC3)ccc2s1	688393135	BJOBBZWFYCQLMK-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
CCc1ccc(CC)c(NCCCC2CCC2)c1	688418995	VVHVRMXRKUJTOF-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CC(C)(C)CCC(=O)c1cccc(C(C)(C)C)c1	691715838	ZSMDUPYPTPDREI-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@H]2CCCC3(CC3)C2)C1	695687399	CEUAHPCSEGUDSK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NC1CCC(C2CCC2)CC1)C1CC1	696012576	INFDMHWLIKVVIR-PREGVCBESA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@H](C[C@H](C)C(C)(C)C)NC	696549696	IDDNEDADHGBEHF-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C[C@@H](C)c1ccccc1	696682586	JPHYKTHKNRTCKS-GDBMZVCRSA-N	248.410	4.758	0	10	BJAE	
CCC(C)(C)CCNc1ccc(Cl)c(F)c1	696756443	HOBXQMNEPPGDJR-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCCC(CCC)[C@H](N)CC(C)(C)C(C)(F)F	697096864	LEEJMRLSMYMIKU-GFCCVEGCSA-N	249.389	4.602	0	10	BJAE	
CCCN[C@@H](CCC)CCCCC=C(C)C	697766412	GDZOBMHESBSKEJ-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CC(C)CCC[C@H](N)[C@]1(C)CC[C@@H](C)C1(C)C	699048819	FGFNFTZLNLIXLN-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)C1(C(C)C)CC1	700005808	LZQONIPAZKEDDI-MRXNPFEDSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@]1(C)CC1(C)C	702151571	XIFMSCOGGMSGQN-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(N)C1CCCCC1	704458814	HLOZFABKQLQDRE-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@]1(N)CCCCC12CCCC2	704509985	UEMIFRQHMWOORU-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)[C@H](C)CC(C)C)c1C	704735237	MYGKOEZQYANWTA-DYVFJYSZSA-N	247.426	4.602	0	10	BJAE	
CC(C)c1ccccc1O[C@@H]1CCCC[C@@H]1C	704921865	HPCLFFQSOVXVMA-DZGCQCFKSA-N	232.367	4.768	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC1(C)CCCC1	704959679	VSWJJONXCHQZTK-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCc1ccc(C(=O)[C@@H](C)CC(C)(C)C)s1	709256535	ZLXCLSZCZKVMDV-JTQLQIEISA-N	238.396	4.566	0	10	BJAE	
CCCC1CCC(NCCCC2CCC2)CC1	711138956	WWHJRPJYCKQLTF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(N)CC(C)(C)C(C)C)c1	713161100	UNVNREFTAOUMNE-KRWDZBQOSA-N	247.426	4.550	0	10	BJAE	
C/C=C/[C@@H](C)Cc1ccc(CCCC)cc1	714539147	BSOWFZVFACSGGL-HZRUHFOJSA-N	216.368	4.784	0	10	BJAE	
N[C@@H](CCC1CCCC1)c1ccc(C2CC2)s1	716532980	MMVIPQDGNVAOKD-ZDUSSCGKSA-N	249.423	4.596	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@]12CCCC[C@@H]1C2	718540711	PGSZKDFNDBYISL-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)C[C@H](C)CC	718590223	SPKVNURDNZQGAV-ZBFHGGJFSA-N	239.447	4.927	0	10	BJAE	
CCCCCC[C@H](NCCC)C1(C)CCC1	720769455	ZTMFJTGIFTZBIZ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1cccc2ccsc12	723148168	BYELGXXFHVAIFT-CMPLNLGQSA-N	244.359	4.520	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1CC(C)(C)C1	723532372	JBAOBIZRTPRFNU-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
CCC1(CC)CCC(NCCC2CCC2)CC1	1203553544	HVPWACVWSJAHSR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)N(C)[C@H](C)c1ccc(Cl)cc1	1257323562	AEZIAPJPODTOHC-VXGBXAGGSA-N	239.790	4.521	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C[C@H]2C2CCC2)CC1	1461593027	LAVIMOGHIFXXTM-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CC1(CSc2ccccc2Cl)CCC1	1652438607	DLRYCZFTDLQXKQ-UHFFFAOYSA-N	226.772	4.622	0	10	BJAE	
CCC(CC)CCC(C)(C)CN[C@H](C)CC	1900703742	SZDKWAKURUDDEO-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCC(C)=CCC[C@@H](O)c1cccc(Cl)c1	1900841598	ZWOWPCQWSMCZPY-CQSZACIVSA-N	238.758	4.510	0	10	BJAE	
CC=CCC[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F	1900898250	MVAKVSLTSDEWHN-XYYAHUGASA-N	228.326	4.804	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1sccc1CC	1905380338	DUHAINAOKTYRNZ-AAEUAGOBSA-N	240.412	4.560	0	10	BJAE	
CCCC1(CNC(C)C)CC2(CCCCC2)C1	1912578908	NVHHSBOLXPZRDR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C1CC2(CCCCC2)C1	1912613357	GFTVENFKQNMUQN-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccnc(C2CC2)c1	1913019644	AVRPTJITJLNYNY-CYBMUJFWSA-N	246.398	4.730	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCCCCCC[C@@H]1N	1913403629	JZKDCKYOSTZOBS-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
N[C@@H]1CCCCCCCC[C@@H]1CC1CCCC1	1913404093	MHZNLVTZDBXUTL-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)C[C@H]1CCCCCCCC[C@@H]1N	1913405802	VIFAYFPNJOFBJG-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CCCC1CCC1	1919972507	CZOGHZVHEQWBAW-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCCCC(=O)CC1CC(C)C1	1925113858	NDOAFWKWTPBATI-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cc(C)ccc1Cl	1925509986	JLAHGVGHRHSWGH-GHMZBOCLSA-N	238.758	4.513	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@H]1C=CCCCC1	1925909703	HMOYOMUPOHPORM-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@@H]1C=CCCCC1	1925928476	UUCZKOSOFJDLSY-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)C[C@H](C)CC	1940857733	ZMZFGGNKJZILFO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)[C@H]1CCCC[C@H]1CC	1941249919	CMAIABMLKBYMMH-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](CCCCCC1CC1)C[C@H]1CCCCN1	1941591401	KULBBBTWYOHUCU-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](CCCCCC1CC1)NC	1941591778	NYDYVJJCJQKKED-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCCCC1(F)F	1947289902	PLEAYLYGXLNSBW-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc(F)c(C)c1	1947466325	TULIQKNWHWKNND-SWLSCSKDSA-N	235.346	4.515	0	10	BJAE	
CCC1CCC(C2(O)CCCCCCC2)CC1	1947547193	PMHMHBPOBSUZGA-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(N)CCCCC12CCC2	1947900126	LKLBFSLHYUNDTA-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948595421	HBRZSYCLQSMIDT-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(CCC(C)(C)C1CC1)C1CCC1	1949033524	HUYNIFJDUSMFDZ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C=C1CCC[C@H](CCN)C1)CC(C)(C)C	1950512245	FSOVGJYQUBUDEZ-ZIAGYGMSSA-N	237.431	4.524	0	10	BJAE	
CC(C)CCC1(O)CC2(CCC(C)(C)CC2)C1	1950544010	LLUSVCUIWSDSQR-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CCC[C@H](C)CC1	1950922109	LQQFVFGBLAJQCV-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](NC)c1cc(Cl)cs1	1958192656	MFFNVXSEODANTI-NSHDSACASA-N	245.819	4.632	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCCC(C)(C)C2)C1	1963183314	UTVZTSOYQZXAFB-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](C1CCCCC1)N(C)CC1CCC=CCC1	1966381668	WNIXOTPWFZSMDK-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CC[C@H](Nc1cc(F)ccc1C)C1CCCCC1	1968313255	ZHKPFQCSQOELFX-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
Cc1cccc(OC[C@H]2CCC(C)(C)C2)c1C	1968364453	KHGIZXKSPVKPQG-AWEZNQCLSA-N	232.367	4.509	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC3(CCC3)C2)c1	1968407890	JWRWOTZEYRXKMH-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]2C1)C1CCCC1	1970682003	YUPIPUJOWIHCLZ-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)N(CC[C@H]1CC1(C)C)CC(C)C	1971358737	HARCNGFQAJCGAJ-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CC[C@H](CNc2cccc(C3(C)CC3)c2)C1	1973398761	UFCKYVCNPCCOQE-KGLIPLIRSA-N	243.394	4.586	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@@H]1CCC2(CCCC2)C1	1973447399	ROOIATMLKOTRDD-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CC)[C@@H](CCC(C)(C)C)NC	1978528118	UDVBKVRZMJTPSK-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H](CCCC(C)C)NCC	1978531522	PBAQOHQUXUNFOA-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CCC=C(C)C	1995260608	XFMHEPMOXKHIRD-HUUCEWRRSA-N	226.404	4.700	0	10	BJAE	
CC[C@H]1CC[C@@H]1NC1CCCCCCCCC1	1998738813	NQXJZSNZMVSPRJ-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CC[C@@H]1CC(C)C	1998759726	PLBJLQVPSJNNFC-FZKCQIBNSA-N	239.447	4.616	0	10	BJAE	
CCCC1([C@@H](N)[C@@H]2CCCC(C)(C)C2)CCC1	2000177758	CFSKNLGJFVRMHX-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
O=C(CCCC1CC1)C[C@H]1CCC=CCCC1	2000212712	YFRLINDQCJENFZ-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@](C)(CCCCF)CNCC(C)C	2000524347	XWDYKLPQCOOYRU-OAHLLOKOSA-N	245.426	4.568	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@H]1CC12CCCC2	2001256912	SQWXXQGUVOZXEM-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@H](CC)C(C)C)CC1	2002928763	ZQHZDRFXZJGZKR-PRLABOORSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C2CCCCCC2)C1	2002997428	CNAKESSDODUCTL-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C[C@H]1CCC2(CC2)C1	2003189439	BZMCGLKOYZRIJS-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@@H]1CCC2(CC2)C1	2003189440	BZMCGLKOYZRIJS-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCCC3(CC3)C2)cs1	2003288877	WMOMDKUGNDQEAM-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
C[C@]1(C(=O)CCCCCC2CC2)C=CCCC1	2003336205	ZRMXJYBJRWMGDL-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@@H]1CCC[C@@H]1C	2006758772	LYFKTURURVDKKS-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)Nc1ccc(CF)cc1	2007022089	FNTQWSZBNBLUMG-CHWSQXEVSA-N	237.362	4.639	0	10	BJAE	
CCC1CC(CC2(CN)CCCCCCC2)C1	2007753155	BNCFUQGJSJTUTM-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
N[C@H](CC=C1CCCCC1)c1ccccc1Cl	2007934714	MXWFZFOGAMGCRP-OAHLLOKOSA-N	249.785	4.620	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2CC=CCC2)CC1	2009411191	OFCBYCLRLUISOF-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CC[C@H](CC)C1	2009594899	HWGKKGKMGFLHOW-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)C(CC)CC	2010620196	BTZZOCUJLJXYKR-CJNGLKHVSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC(=O)CC12CCC(CC1)CC2	2012804728	WHSKFGVGFJPDPF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCc1ccccc1N[C@@H](CC)CCC(C)C	2013262433	BIKVSQAENQDXQT-HNNXBMFYSA-N	233.399	4.876	0	10	BJAE	
CC(C)C(C[C@@]1(N)CCCCC[C@@H]1C)C(C)C	2015396770	GCYBBRJIUHGDEL-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@@H](C)C(C)C	2015399227	MINBGEWDJZPUOF-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCC1(CC[C@H](CC2CCCC2)NC)CCC1	2015593455	DKEVTHLQXZYTJE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@]1(C)C[C@H]1C	2016459342	DDTCMGPJMDDJSP-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@@](C)(O)C2(C)CCC2)CCC1	2017116207	HDNSBIHXBPIWSZ-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(CC(=O)C2(C(C)C)CCC2)CCC1	2017129935	VXAKQLNUOIAWKN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCCN1CCC[C@@H]1C1CCCCCC1	2017151696	BHJASFXKYBAILJ-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@H](C)CC(C)C)CC1	2017722265	FCBUSRBISVBEBP-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)C(C)(C)C(F)F	2017803112	RGLBSXKLARXOTG-CQSZACIVSA-N	249.389	4.602	0	10	BJAE	
CCC[C@](O)(C[C@]12CCCC[C@@H]1C2)C(C)(C)C	2018571820	DILWHPIANDJEFH-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](O)C(C)(C)C2CCCC2)CC1	2018962786	OGLYMRHLWKVZSB-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@]2(O)CCCC(C)(C)CC2)CC1	2018971544	AEOFOFRGFKQUNO-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC1(CC2(N)CC(CC(C)(C)C)C2)CC1	2018972237	BZESZUJFTDLLFO-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@@]2(O)CCCCC[C@H]2C(C)C)CC1	2018975058	RECOVLUTVFVNRM-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC)CCCN1[C@@H]1C=CCCCCC1	2019121088	DYLSIWBMEOHUTL-OAHLLOKOSA-N	235.415	4.530	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@H]1CCC[C@H](CC)C1	2019181337	JLOSLYHLIMVBPY-XHSDSOJGSA-N	237.431	4.610	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCC(C)(C)[C@H]1NC	2020363044	FWTXWTZNRBFLDH-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(N)C[C@H]1C[C@@H]1C1CCCCC1	2022502847	TYICBVJVNIOTFG-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC(F)(F)CCCC[C@H](O)C1CCCCCC1	2023309588	AGHUMLFEKSMTEA-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC(F)(F)CCCCC(=O)CC[C@@H]1CC1(C)C	2023323718	WLJUJMAXRSOCOZ-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCCCC[C@H]1CC(C)(C)C[C@@H]1NCCC	2023611727	LDIVXJFLUXSAHY-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@]2(N)CC(C)(C)C2(C)C)CCCCC1	2025004063	OFPKYNUGWSNTAU-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CC1CC(C)C1)NC	2026170319	OSCHELSQSWDNRN-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@](CCCC2(C)CC2)(CNC2CC2)C1	2027820057	GEAHZIVFXGDMQL-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](N)c2cccc(C3CC3)c2)CCCCC1	2028561424	AFHYYEFKJIEHCF-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)[C@@]1(C)CC1(C)C	2028897247	KHEYNKZJJIWGSE-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(CCC2CCCC2)(CNC2CC2)C1	2029107850	JKXJLMWCYLJUCG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NC[C@]1([C@@H]2CCC2(C)C)CC=CCC1	2033573662	WJWJNLSQVVWKFT-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H]1NC1CC(C2CCCCC2)C1	2033830807	RCHKPEVGPUYRQZ-YJNKEBTESA-N	249.442	4.514	0	10	BJAE	
CCC1CC(N[C@@H](c2ccccc2)C(C)(C)C)C1	2034903964	OMEPZBQDNZGMJL-BCLQGDPASA-N	245.410	4.552	0	10	BJAE	
CC1CCC([C@]2(N)C[C@H]3CCCC[C@]3(C)C2)CC1	2036660221	IPYIMLLNWCDOGB-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	2036667970	UMMNRVUUOQCRFH-QSJFSLAZSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H](CC2CC3(CC3)C2)c2ccccc2N1	2036723892	HEPOMHKKKVPZQT-JSGCOSHPSA-N	241.378	4.555	0	10	BJAE	
Cc1oc2ccccc2c1[C@H](N)CCC(C)(C)C	2037093332	BQCKPHAWSLPEFH-CYBMUJFWSA-N	245.366	4.567	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2037165751	HWLUUGAQIDWSGP-VGWMRTNUSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCCC[C@]1(N)[C@@H]1CCC2(CCCC2)C1	2037572730	BMWCNGNDJZWCPJ-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@]1([C@H]2CCC3(CCCC3)C2)CCCN1	2037591406	JAAGKIKHSVPUKD-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](N2CC[C@H]2C2CCCCCC2)C1	2037680017	WCGBYUFTLHXHHV-CVEARBPZSA-N	249.442	4.610	0	10	BJAE	
O=C(CCCCCC1CC1)CC1CC2(CCC2)C1	2037974563	MUUMEHTYYIZSRQ-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC(C)c1cccc([C@H](O)CC2CC(C)(C)C2)c1	2037977193	SZZRHGSUNWWLIL-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)CC1CC2(CCC2)C1	2038078194	IDWDJCPZAAXGPU-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CNC(C)C)(CC2CCC=CCC2)C1	2038879454	HLQPHLJDDWLFSC-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2C=CCCCC2)CC1	2039033296	UWJRXCLQHSXPPD-BRWVUGGUSA-N	249.442	4.824	0	10	BJAE	
C1=C[C@@H](N[C@H]2CCCC23CCCCC3)CCCC1	2039042745	XPWKDOBGPHDHBW-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
Cc1ccc(C)c([C@H](N)[C@@H]2CCC[C@@H](C)CC2)c1	2039364086	VAZATFLLJKGUGM-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
CCC1(C(=O)c2ccc(C3(C)CC3)cc2)CCC1	2039725220	UZPMRLIXTCDMAE-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CN[C@H](CCC[C@H]1CC[C@H](C)C1)c1ccccc1	2040165193	GDEBTYLCJJETAN-YQQAZPJKSA-N	245.410	4.554	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)Cc1ccc(C)cc1	2041821781	XGRXJVAXJFGMMT-QGZVFWFLSA-N	248.410	4.505	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@@H]1CC=CCC1	2042015771	DAUNFAHDUBFWOP-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCCC[C@@](C)(CNC)C[C@H](C)c1ccccc1	2045987728	OMHOMHWXCIHETC-DOTOQJQBSA-N	247.426	4.596	0	10	BJAE	
CC[C@@H](NC1CC2(CCCCCC2)C1)C1CCC1	2046233495	OPGWCVBKKUQHLT-MRXNPFEDSA-N	249.442	4.658	0	10	BJAE	
CCCC1CC([C@H](N)C[C@@H]2CC23CCCCC3)C1	2047009182	PSNLXLNAPARCSO-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@H]2CC23CCCC3)C1	2047022111	BHQQNQINNXEVFS-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C[C@H](N)[C@]2(C)CC=CCC2)C[C@H](C)C1	2047679428	SPXGHULXQNTYRU-TXCZRRACSA-N	249.442	4.523	0	10	BJAE	
CCc1cccc(C2(N)CCCCCCCC2)c1	2049679235	TYYGXTLUYREEQU-UHFFFAOYSA-N	245.410	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1CCC2(CC2)C1)C1(C)CCCC1	2049855413	LZGNOWHUQXRUNW-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCC(NC2C[C@@H]3CC[C@H]3C2)CC1	2051593456	PESJIQVCISNKKX-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2051595949	PESJIQVCISNKKX-MIFYACCESA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CN1CCCC[C@H]1c1ccc(C)o1	2051736421	KIXAWBILIXGMAL-AWEZNQCLSA-N	249.398	4.551	0	10	BJAE	
Cc1cc(C(=O)C2(C)CCCCCCC2)c(C)[nH]1	2052469723	UPUWUPVGYIOLMH-UHFFFAOYSA-N	247.382	4.565	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC2CC2)CCCC12CC2	2053352357	BHEQDJMRTACHGZ-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCCCC12CCC2)C1CCC1	2053360443	QJRPUKFDGJGLNB-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)[C@H]1C=CCCCCC1	2053400366	KJOUBJYDSAOGED-DOTOQJQBSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1CCC[C@H]1N(C)[C@@H]1CCC2(CCCCC2)C1	2055252921	DVJCFYPEYQDBPV-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CC1=C(C)[C@H](N)[C@@H](C[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2055537558	VQWKFVFIGBMYQH-FXSNYSBCSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)[C@@](N)(C[C@H](C)C2CCCCC2)CCC1	2055606477	CQVOAGPPRIDXJE-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2ccc(CF)cc2)C1	2055678340	OQECUKRIYNVVHZ-SWLSCSKDSA-N	247.357	4.560	0	10	BJAE	
CCCC1(NCC2CC(C3CCC3)C2)CCCC1	2056731175	PHJITFBQXNLNKE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)[C@@H](C)C1CCC1	2060920822	HHWBOZYPMCTTFQ-KEYYUXOJSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C1=CC[C@@H](C)CC1	2060921760	NKGLBFQQAQDPBA-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@](N)(C1=CC[C@@H](C(C)C)CC1)C1CCCC1	2061110093	AXZBQWFFMYIDBL-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(N)[C@@H]2CCC[C@@H](C)C2)CC1	2061117490	ZFGOHFXTHRXIOP-SRABZTEZSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)C2C[C@@H](C)C[C@H](C)C2)CC1	2061118955	LEMXGYAZNYZNPL-SZOQZIPDSA-N	249.442	4.523	0	10	BJAE	
CC[C@@](N)(CC1CC(=C2CC2)C1)C1CCCCC1	2061665213	OKTDPIZSLHXNSH-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H](CC12CCC(CC1)CC2)C1(C)CC1	2065308475	QJMISRBYKLNFFU-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CC23CCC(CC2)C3)C1	2065335055	LBNBZZLNFWRLQR-MYBQVCMBSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2CC3CCC2CC3)CCCC1	2067523015	YENBMORUKIQXHV-BOXZVXIZSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CC(C)=C[C@H](C)C2)CCC1	2069268920	XQUWVEJLNNTSQI-ZFWWWQNUSA-N	248.410	4.908	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CC3CCC2CC3)CCC1	2069284318	IMYKXTIEWKIWBQ-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H](N)C1(CC2CC2)CC1)C1CCCCC1	2069515863	SMSBUYOHGPUIQW-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@@H]2C[C@H]3CCCC[C@@H]3C2=O)CCC1	2071926584	QYJJZZNTBDAOMM-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1CC2(C1)CC21CC1	2072235137	WCHUJWLZRAWCDZ-GULBITTBSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@H]2CCCCC23CCC3)CC1	2072658791	KDTJOGIFCJNHRB-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CNC2(CC3CC3)CCC2)CC1	2072796143	LWZMONLKKORHMP-KOMQPUFPSA-N	249.442	4.515	0	10	BJAE	
c1cc(C2CC2)ccc1NC[C@@]12CCCC[C@@H]1C2	2074046083	IPRKGTWPGVEPGP-WBVHZDCISA-N	241.378	4.556	0	10	BJAE	
Cc1cc2ccccc2n1C[C@]12CCCC[C@@H]1C2	2074092608	YSFCLZCYRZTICX-NVXWUHKLSA-N	239.362	4.530	0	10	BJAE	
CC(C)c1cccc([C@@H]2CCCC(C)(C)C2=O)c1	2076451054	RBGJLZOBQDOVOG-HNNXBMFYSA-N	244.378	4.673	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H]1CC[C@H]2C[C@H]2CC1	2077197214	YDMFRMJGVBQGCB-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc([C@H](C)[C@H](C)NC(C)C)cc1	2078005606	NTENOLHFDKDTOR-CABCVRRESA-N	247.426	4.519	0	10	BJAE	
CCCc1ccc(NC[C@H]2C[C@@H]2C(C)(C)C)cc1	2079618650	GVXGUCSFBDBJSK-ZBFHGGJFSA-N	245.410	4.733	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@@H]2C2CCCCC2)CCCC1	2079852561	RFSBYKQXWHTBHF-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CC(=CC1CCC(C)(C)CC1)[C@H]1CC[C@@H](N)CC1	2082135514	DIKYYMDOXTWNQL-IYBDPMFKSA-N	249.442	4.667	0	10	BJAE	
CC(=C[C@@H](C)C1CCCCC1)[C@H]1CC[C@@H](N)CC1	2082137259	RNGMTWRYWWKEHW-XYPHTWIQSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC(C[C@@H](N)c2ccoc2)CC(C)(C)C1	2082977452	ZIOWKSXTXCXMFQ-CQSZACIVSA-N	249.398	4.522	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2C(=O)C[C@H]3CC[C@H]2C3)C1	2082981157	BAJGQNOFTNMPPA-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)Cc1ccc(C)cc1	2085941836	VPDHEAJISUXUHO-AWEZNQCLSA-N	246.394	4.713	0	10	BJAE	
CCCc1coc2c(C(C)(C)C)cc(OC)cc12	2086603450	XEVQQBMARAFCBV-UHFFFAOYSA-N	246.350	4.691	0	10	BJAE	
CCCCCC[C@@H](N)c1sc(C)c(C)c1C	2211703188	CRUCXWPTZJJNSO-CYBMUJFWSA-N	239.428	4.644	0	10	BJAE	
CCC[C@](O)(CC)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213273896	WVKGZXSFPLNBTR-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](CCCCC2CC2)C1	2214578136	DPMQSHXFNIWTEC-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(CC)(CC)CNC(C)C	2215265965	NFGNIAPZIBGSDI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@H]1CC)C(CC)CC	2215266826	SKFTWWOQTXMGEF-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(CC1(C)CC(C)(C)C1)C1CCC1	2215393268	KXZOABBEDOVAJM-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
Cc1sc([C@@H](N)C=C2CCCCC2)c(C)c1C	2215535205	JQKDTTMYNPJBPZ-AWEZNQCLSA-N	249.423	4.564	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@H]1CC=C(C)CC1	2215811051	ZHQCVTQEQLAVET-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NCC(C)(C)CCCCC(C)(F)F	2217140924	KTOWFAZEQHTHCU-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCCCC1(CN[C@@H](C)CC)CCCCC1	2217153494	MKAIVPDSVUGFQK-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@@H](CN[C@H](C)CC)C1CCCCC1	2217154202	RNMBAKSFCWVGFC-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C1CCC(CCCNC2CC(CC3CC3)C2)CC1	2218493635	JZVQJZZJZRBLDS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1C[C@@H]2CCC[C@H]2C1)C1CCCCC1	2220287973	CJYYZGLQFJSOKK-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@H]1C[C@@H]1C1CCCCCC1	2220631276	OYVUZZQCFAJRNB-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cc(N[C@@H]2CCCC(C)(C)C2)ccn1	2220885375	LWMMCGHBSVCQGL-CQSZACIVSA-N	246.398	4.586	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2CC(C3CC3)C2)CC1	2221641154	SIKLVDVEXOGYDN-PGEKIEPBSA-N	246.394	4.518	0	10	BJAE	
O=C(CCC1CC1)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222954901	OFSMZNZINQHHNX-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC2CCC2)C=CCCC1	2223543360	YJMRXJQJVWXOHE-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)C)c1ccc(C)cc1	2223598557	PSDAYGPGXKBACT-RDJZCZTQSA-N	247.426	4.513	0	10	BJAE	
CCCC1(CC(=O)c2cccc3ccoc23)CC1	2224180145	IMIZCCPPQCLIFR-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CC(C)=CCc1cc(Cl)c(Cl)cc1C	2241617267	PCRJDFLFDZXZOT-UHFFFAOYSA-N	229.150	4.811	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1CCCCC12CC2	2246617875	PNAGUMMKAMDISP-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)CC1CCCC1	2247112087	JLVKVYFEPPWFEF-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC1(C(=O)CCCC[C@H]2C[C@H]2C)CC1	2247160784	WZJJGAVYPGUGKQ-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(CC[C@@H]2C=CCCCC2)c(F)c1	2247684991	NLHANYQLGBMZFU-CQSZACIVSA-N	232.342	4.813	0	10	BJAE	
CC[C@H](C)CN(CC)CCCCC[C@H]1C[C@@H]1C	2248838417	AOWVEZRYEYJIQE-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
Cc1c(N)cccc1-c1ccc(C2CCC2)s1	2250255672	GQYBIBMVSUIDJJ-UHFFFAOYSA-N	243.375	4.573	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC(C)(C)C(C)C)NCC	2250355810	NAJRJHNZDUGMOC-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCC1=CCCCC1)NC	2250356238	DIUSMIBKGDGYCM-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1CCC=CCCC1	2250360665	YMMAOKWUNJXLMR-GJZGRUSLSA-N	236.399	4.908	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)[C@@H](C)C(C)C	2250495412	IAEBPKNMDMCKFZ-JYJNAYRXSA-N	242.447	4.882	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@]12CCC[C@@H]1CC2	2251165510	DDQOWAVTDWCVFD-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
Clc1cccc(NC[C@]23CCCC[C@@H]2CC3)c1	2251172876	WLIDDHGAGAYOIX-IUODEOHRSA-N	249.785	4.722	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@H]1CCCC[C@@H]1C	2252640434	VJRJSJKPSKVULL-HOTGVXAUSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC[C@@](C)(O)c1ccc2ccsc2c1	2253052793	BLZCTNQWRKTNCZ-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CN[C@H](CC=C(C)C)CC[C@@H]1CCCCC12CC2	2253800350	AAZFHXRLBCBDSA-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C1CCC(CC[C@@H]2CN[C@H]3CCCC[C@@H]3C2)CC1	2253812564	GXCCGDNTWLFVAC-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@H]1CCCCC12CC2	2253818446	RXFXCCYSOSETJQ-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC[C@H]2CCCCC23CC3)C1	2253880065	HPEVWFMLJGOEHE-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@H]2C[C@@H]2C)cc1F	2254605130	BBRXUDQUOATPSZ-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
C1=C(CCc2ccc3ccccc3n2)CCCC1	2255115778	CUWDBUMMTBHVAR-UHFFFAOYSA-N	237.346	4.668	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C[C@H]1CCCC12CC2	2255222967	LFVPWQKBXGFRBW-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C1CCC(CCNCC[C@@H]2CCCC23CC3)CC1	2255231525	BSFKIPPPTOPQRC-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CCC[C@@H](Nc1c(F)cccc1CC)C1CCC1	2256141484	HTVVJKNBOAHXEG-OAHLLOKOSA-N	249.373	4.769	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C)[C@@H]2CC23CCC3)cc1	2256452404	RTJGKLDTXJUJSU-BBRMVZONSA-N	243.394	4.801	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@@H]1C)[C@@]1(C)C=CCC1	2257240864	MNLFLJGADOUUBW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H]1CNc1cccc(C2CCCC2)c1	2260665678	XMIAMJIFHGDZAG-BBRMVZONSA-N	243.394	4.802	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccnc(C(C)(C)C)c1	2260746500	LHZNSNYAPDVDST-GFCCVEGCSA-N	248.414	4.616	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](O)C1CCCCCCC1	2298917802	WYUUVVIWQOYHJO-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1C(C)=CCC[C@@H]1C	2300699037	CUXPCBVUJXISPV-XJKSGUPXSA-N	236.399	4.764	0	10	BJAE	
CC(=CC[C@H](N)[C@@]1(C)C[C@H]1C)CCCC(C)C	2300876224	DGHYOYTWYYAFAO-PMPSAXMXSA-N	237.431	4.523	0	10	BJAE	
CCC(C)=CCN(C)[C@@H]1CCC[C@H](CC)CC1	2300881417	SBOSPLVKKISLIK-JKSUJKDBSA-N	237.431	4.633	0	10	BJAE	
CCC(C)=CCC1(O)CCC(CC)(CC)CC1	2300902316	SRYJZPUHVWZLNL-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(O)CC1CCCCCC1	2301138333	UHQZGOOLMHCTNN-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCN(C1CCCCCC1)[C@H](C)[C@@H](C)C(C)C	2301968300	PXNKZWPZXRQPLO-LSDHHAIUSA-N	239.447	4.712	0	10	BJAE	
C[C@H]1[C@H](C(=O)C2CCCCCCC2)CC1(C)C	2302137010	WRQLCYBFJFBGFS-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(F)ccc1CCCC1=CCCCC1	2302345772	WVSYCPDMVWSSMN-UHFFFAOYSA-N	232.342	4.957	0	10	BJAE	
CCCCCCC(=O)O[C@@H](C)CCC=C(C)C	2302761721	VFZJJTYNLAOLJW-AWEZNQCLSA-N	240.387	4.635	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)C2(C)CCCCC2)C1	2302898826	JVUJLPQDXXUIGU-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H]1CC(C)(C)[C@H]1C	2303250007	QCMMDEFLWWAFKJ-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1CC[C@H]1CCC(C)(C)C1	2304425823	PEDWNQAVTVNACC-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CC(C1CC1)C1CC1	2307761646	UXPMYLHUMWEIFZ-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CCC[C@H](C)CC1	2307892821	JYUYUUIGAVSNIP-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)c1ccco1	2307899457	BSSHRVGOIUNVCI-ZIAGYGMSSA-N	237.387	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccc(C)cc1C	2307905746	ZBGUZMTYIFOJEF-GOEBONIOSA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](CC)CCC[C@@H](N)c1ccccc1	2307907008	JLZGLPNXOIOMTL-GOEBONIOSA-N	233.399	4.683	0	10	BJAE	
CC[C@H]1CC[C@]1(N)C[C@@H]1C[C@H]1C1CCCCCC1	2311607906	LWOCJDRPMVMTDZ-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@H](C[C@H](C)c1ccccc1)NC	2316510402	UTPJFLDJXXQYGG-DOTOQJQBSA-N	245.410	4.515	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@]12CCCC[C@@H]1CC2	2316510596	VRQOTAZDFACBBU-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@H]2C[C@@H]2C2CCCC2)C1	2319285996	FFRIFEQFGFKBTD-YUELXQCFSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)[C@@H]2C[C@H]2C(C)(C)C)CC1	2320340033	IRHJFFYKZLQVNC-JJXSEGSLSA-N	249.442	4.523	0	10	BJAE	
CCc1cc(F)cc(NCCCC[C@@H]2C[C@@H]2C)c1	2321074213	KDYDZZIMRNLFQI-GXTWGEPZSA-N	249.373	4.626	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCC[C@@H](CC)C2)c1	2321078236	CPUDBAMTLHFCTN-IUODEOHRSA-N	249.373	4.769	0	10	BJAE	
CCCC1CCC(C=C2CCN[C@H](C)[C@H]2C)CC1	2321303235	APXVJLBWKJXYKE-WXLSXGNJSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)C[C@@H]2CC2(C)C)c1	2327680525	FWVMZORMOHNPGS-CYBMUJFWSA-N	244.378	4.737	0	10	BJAE	
Cc1ccc(C(C)C)c([C@](C)(O)C2CCCC2)c1	2327696699	HQFXCUXRTXJFNO-QGZVFWFLSA-N	246.394	4.516	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccc(C)cc2C)cc1	21038171	JVYQVHLUSVOLDM-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CC[C@H](Nc1ccccc1Cl)c1ccccc1	21509728	KCWVLDKTBGGPDN-AWEZNQCLSA-N	245.753	4.903	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(C)c(OC)c1C	37125631	WWFDALDMLGKCBQ-CYBMUJFWSA-N	249.398	4.693	0	10	BJAE	
CC(C)c1cnc2ccc(C(C)(C)C)cc2c1	49820946	OZAKEUVXBHFFRR-UHFFFAOYSA-N	227.351	4.656	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCC[C@H](C2CC2)C1	81629179	UZGLPSOTPBUNNL-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](C)Nc1cccc(Cl)n1	82461263	RTDRHUYFKRKONO-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CC(C)C[C@@H]1CN[C@@H](C(C)(C)C)c2ccccc21	84230522	LGEWKZKFRVVAIE-CZUORRHYSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)c1ccc(CCC)cc1	84400397	NOVXSGOASQPKEG-HUUCEWRRSA-N	247.426	4.521	0	10	BJAE	
C[C@H]1CC(Oc2ccc(Cl)cc2)C[C@H](C)C1	85150269	QHMLNEBPXYKBDH-GHMZBOCLSA-N	238.758	4.544	0	10	BJAE	
CCCCC[C@]1(O)CCC[C@H](C(C)(C)C)CC1	87187804	ZPUSKACSORGJFL-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CC(C)C)CCCN1	91446510	WFOPKFBTOFOGLK-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1[C@@H](CNC(C)(C)C)CC(C)C	93106333	KTSMJODBFUOBRW-OAHLLOKOSA-N	247.426	4.513	0	10	BJAE	
CCCNC[C@@H](CCC(C)C)c1cccc(C)c1	93127159	RYZVSFPCJONGLV-QGZVFWFLSA-N	247.426	4.514	0	10	BJAE	
C[C@H](Nc1ccccc1C(C)(C)C)c1ccoc1	94868014	SBIPOXVKBUTBJQ-LBPRGKRZSA-N	243.350	4.750	0	10	BJAE	
Cc1c(C)c(C)c([C@H](O)CCC(C)C)c(C)c1C	104039202	QROWZMSSERYTSB-MRXNPFEDSA-N	248.410	4.698	0	10	BJAE	
CCCCC[C@H](NCCC)C1CCC(C)CC1	109737916	WUMWHSZCVWEYJF-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CC(C)NC[C@H]1CCCC[C@@H]1CCC(C)(C)C	155621978	HVYRKJSULKALEI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@@H](C)NC[C@H](C)C(C)(C)C)c(C)c1	162636374	FSSLOTQRDFQZJM-LSDHHAIUSA-N	247.426	4.636	0	10	BJAE	
CC(C)CCCC(=O)c1ccc(C(C)C)cc1	165695608	AGYREYFYXNMVNJ-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1cc(C)ccc1F	165793245	IBOHIJCWCJYPCH-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCC[C@H](C(C)C)C2)c1	230986406	COADMUYRAQJSMQ-HOTGVXAUSA-N	245.410	4.930	0	10	BJAE	
CCC[C@H](C)C(=O)C(CC)(CC)c1ccccc1	233322393	LKAWTCUVOBAXLF-AWEZNQCLSA-N	246.394	4.750	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)[C@@H]1CC1(C)C	233592355	SOQXHNNVJNPUFH-HOTGVXAUSA-N	245.410	4.507	0	10	BJAE	
Fc1cccc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1	252426362	USOYKPJACUMZOM-DVOMOZLQSA-N	247.357	4.597	0	10	BJAE	
C[C@](F)(c1cccc(O)c1)C1CCCCCC1	258784841	JKNJOSJJKPZMMA-OAHLLOKOSA-N	236.330	4.547	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)C)c1ccc(C)c(C)c1	302257342	BDMSDJGGDWRTNK-DYVFJYSZSA-N	247.426	4.636	0	10	BJAE	
CCCC1CCC(N)(CCCC(C)(C)C)CC1	302290087	LAPQUMLAVBOWCI-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc(N[C@@H]2/C=C/CCCCC2)c(Cl)c1	305968685	JNHGJSUPJGKMBZ-VUDGCMKMSA-N	249.785	4.949	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1Cl)c1ccco1	306065040	YIHKYWXVJNNJEQ-NSHDSACASA-N	249.741	4.805	0	10	BJAE	
CCCc1ccccc1[C@@H](N)[C@@H](CC)CC(C)C	308069034	PSXUJKXHVYWDJO-YOEHRIQHSA-N	247.426	4.711	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H]1CCC[C@@H](C)C1	310043547	VYJIVSBYJKLCHT-TZMCWYRMSA-N	227.351	4.701	0	10	BJAE	
CCc1ccccc1NCC(C(C)C)C(C)C	310524787	WGZBFXSTFKFLOV-UHFFFAOYSA-N	233.399	4.589	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@H]1CCC[C@@H](C)C1	310811473	ZSJNZHLDKBMLPE-UKRRQHHQSA-N	241.378	4.776	0	10	BJAE	
CCC1(C[C@H]2C[C@H](C)c3ccccc3N2)CCC1	310900059	AYXKENZYELOEIB-UONOGXRCSA-N	243.394	4.945	0	10	BJAE	
CNCC1(CCC2=CCCCC2)CCCCCC1	316708842	JVOPIKHCBFYYIY-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)CC)CC[C@@H](CC)C1	318508446	XVJHONLAHACMJJ-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)n1ccc2cc(C)ccc21	319526182	GLFRYWDQOZMYKK-QWHCGFSZSA-N	215.340	4.557	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC12CCCC2	327999048	NJZMNCIKOVPOCN-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)C(C)(C)C(C)(C)C	379943121	YFUMUSMOLXRTQT-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@@H](C)C1CCCCC1	383749247	DOLJCKADBDIBRO-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC(C)(C)C(C)(C)C)CC1	383934389	CKVZKFVXNHTBCX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H]2C[C@@H](C)c3ccccc3N2)C1	385139614	MAOFJRXWEXVOFR-WVZRYYJFSA-N	243.394	4.801	0	10	BJAE	
CCCC1([C@H](CCC2=CCCCC2)NCC)CC1	385942302	WHDAJQWKJZOUBK-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H]1C[C@@H]1CC(C)C	388009187	NGDVVMHOESPYNQ-JYJNAYRXSA-N	240.431	4.636	0	10	BJAE	
CCCc1ccc(N[C@H]2CCCC23CCC3)cc1	394768510	KKKSWIDKNOLTEX-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
Cc1cc(C)cc(OCCC2=CCCCC2)c1	395346459	GWSAWHAYVBPNBO-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1C)[C@H]1CC1(C)C	397672171	QOHYUCBGPNJIHB-ZIAGYGMSSA-N	231.383	4.540	0	10	BJAE	
C[C@@H](CC(=O)CC1CCCCCC1)C1CCC1	398820575	NFJVKUZWLXMHIT-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)NC[C@]1(CC2=CCCC2)CCC[C@H](C)C1	401067207	HVZWFDWDIGXKFD-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(C)CNC[C@]1(CC2=CCCC2)CC[C@@H](C)C1	401084577	QJZAAAWZSLAICB-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
NCC1(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCCCC1	403574470	YKFOOLUEEMXWJO-OAGGEKHMSA-N	249.442	4.502	0	10	BJAE	
C[C@H](C[C@H](N)c1coc2ccccc12)C(C)(C)C	404309294	UVBULGIOLUMLNE-RISCZKNCSA-N	245.366	4.505	0	10	BJAE	
CCN[C@@H](CCCC1CC1)c1ccc(C)cc1C	405892982	YKIQWEMYOLSYLK-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCC[C@@](O)(CCC(C)(C)C1CC1)C(C)(C)C	406072055	OOQDODCXHABILM-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H]1CCC/C(=C/Br)C1	606288168	MQFRIABZHVWWKP-UBYNWHESSA-N	231.177	4.502	0	10	BJAE	
CCCC1(CNc2ccc3[nH]ccc3c2)CCC1	687521240	BGDQIDCLEDTGBI-UHFFFAOYSA-N	242.366	4.550	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CCCC2CCC2)C1	688356886	PMGFJQSMLJTUAU-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CCN[C@H](CCCC1CCC1)c1ccc(C)cc1	688404064	GZFHSCQFAMNPTD-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)c1cc(C)oc1C	688413624	KGLZVWFIKUHQGN-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCCCC[C@H]2C)cc1	691133462	DQWMIJCHMIBFBK-INMHGKMJSA-N	245.410	4.614	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)C1=CCCCCCC1	696251489	YNOPHZBQYQOFNW-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CC[C@H](C)[C@@H](NC)c1ccccc1	696801161	DZESVQGTHDAHNO-GOEBONIOSA-N	247.426	4.800	0	10	BJAE	
CCC(C)(CC)[C@H](O)CCC1CCCCC1	701116618	RNPSGGAKJLGRTK-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)C(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1N	701153480	GOBSJSPETFZESS-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cc2cc(C)ccc2o1	701201194	SAJUFQAEPIONHX-HNNXBMFYSA-N	245.366	4.567	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CNCC)CC1(C)C	702161320	CZZHRCABVGQPTB-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(O)([C@@H]2CCCC[C@H]2C)CC1	704797450	GDDYHGNGAAOEEZ-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@@H]1CCCC12CC2	706219211	YDXWIXQBHTYPHN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H](N)[C@H]1CCCC12CC2)C1CCCCC1	706286858	UPPAYFHSDHURRR-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@](C)(N)C2CCCCC2)C1	707540770	KOJAAJMHMOHXJO-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@@H](C)CC(C)(C)C	708307519	WWYOQGGBVMNQHK-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@H](C)CC(C)(C)C	708307541	WWYOQGGBVMNQHK-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC[C@H](O)C(C)(C)C)CC(C)(C)C	709097415	NKOMORHRFDDKBO-OLZOCXBDSA-N	228.420	4.636	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)[C@@]12CCCC[C@@H]1C2	709135587	VLCHYPISQGHQEW-IOASZLSFSA-N	247.357	4.515	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CC[C@H](CC)C2)c1	709712607	PRLLUWJPJOPLPM-XJKSGUPXSA-N	245.410	4.802	0	10	BJAE	
CCC1(C(=O)c2cscc2Cl)CCCC1	710433583	RDNOITQFSGXFMM-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@H]1CC12CCCCC2	713040044	WUJDZOOVJPCOPI-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)C(=O)CC[C@@H]1C[C@@H]1C1CC1	714864039	DHNLQSOSMMMHLB-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC1(CNC2CC2)CCC=CCC1	718039523	KKGHNNRGBPZZAN-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCOc1ccccc1C(C)C	718597234	ZOMAWBRIMGKSND-UHFFFAOYSA-N	232.367	4.935	0	10	BJAE	
CSc1ccccc1[C@@H](N)CCC(C)=C(C)C	718598985	DALZHMMJJDXLTJ-AWEZNQCLSA-N	249.423	4.545	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](O)CCC(C)=C(C)C	718606153	QPQFYEHSYGIWPH-DLBZAZTESA-N	246.394	4.678	0	10	BJAE	
CC(C)=C(C)CCCc1ccnc2ccccc12	718665141	ATIIVJHXOBEKMG-UHFFFAOYSA-N	239.362	4.914	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1ccc(Cl)cc1	718684942	BBQOONZMWXSDDE-CQSZACIVSA-N	238.758	4.510	0	10	BJAE	
CCNC[C@@]1(CCC(C)=C(C)C)CC[C@H](C)C1	718749661	UIMRXKUAVLLMAY-GOEBONIOSA-N	237.431	4.539	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(CO)CCC=CCCC1	719062373	CHJMSQQKJRAHMN-JKSUJKDBSA-N	238.415	4.558	0	10	BJAE	
CC1(C[C@@]2(O)CCCCCC2(C)C)CCCC1	719274636	SYZMQRZOGMCGSJ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(N[C@H]1CCCCCC1(C)C)(C1CC1)C1CC1	719301561	WNPVEUWHRPLMLC-HNNXBMFYSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@](N)(CC)CC1CCCCC1	720402549	RRGZKSKOMINWKP-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
C1CCCC(C[C@H]2CCNC23CCCCC3)CC1	721032995	ILOIIFVLVBHISE-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CNC2(CCCCC2)[C@H]1C1(C)CCCCC1	721041221	KDMXFWGYTYFJOY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2CC(C)(C)C2)C1	723568956	LVZCKEJHAMQOQQ-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC(=CCCNC(C)(C)C)C1CCCCCC1	1877930515	ONDHKVMVQKRJQJ-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CCCC(C)(C)C(C)(F)F	1888066678	YIUDMGLCYPUQMW-UHFFFAOYSA-N	204.304	4.804	0	10	BJAE	
CCCC(N)(CCC)CC1CCCCCC1	1901062115	ZMLKBIJHWXBAGF-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CCC[C@H](CC)CC(=O)CC1CC(C)(C)C1	1905442536	DPIZVLOXCDUBRJ-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CC[C@@H]1C[C@H]1C	1910147089	IPXKDKALDPBWHU-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(F)cc(NC2CC3(CCCCC3)C2)c1	1912711422	WLKDPQOYNXFFAB-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CC1(C[C@H]2CCCCCCCC[C@H]2O)CCC1	1913397393	FXDRZGPULVNNLC-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(O)c1ccc(C)cc1C	1919876741	NRHAMKVQWMWTLJ-QGZVFWFLSA-N	246.394	4.647	0	10	BJAE	
CCCC[C@](N)(CC)c1csc2ccccc12	1920149984	YIGAEKKMEIHMOV-OAHLLOKOSA-N	247.407	4.656	0	10	BJAE	
CCCCCC[C@@](C)(N)c1ccsc1Cl	1920198708	SXUXPMCPIUOZEB-GFCCVEGCSA-N	245.819	4.546	0	10	BJAE	
CC1(C)CCC(C(=O)CC[C@H]2CC2(C)C)CC1	1921417663	DIUPMAFAIGLFNT-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CNC[C@@]1(C2CCCCCC2)CCCC12CCC2	1921631819	BPBCLTIENARTET-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1C[C@@H](CC[C@@H]2C=CCCCC2)C[C@@H](C)O1	1925875753	YDTHERGLEIYIKH-QXSJWSMHSA-N	236.399	4.717	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccc(C2(C)CC2)cc1	1926393238	LZXBGZSCVXISAE-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CC(C)(CC[C@H]1C=CCCC1)C(F)(F)F	1932607524	SORZNAFIHUWOEB-JTQLQIEISA-N	220.278	4.711	0	10	BJAE	
CCCCCC[C@@](C)(N)C(C)(CC)CC	1933883336	IFYOOKDRENGEBT-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)c1sccc1C	1937270414	WLGCVKBNPVFAMQ-WCQYABFASA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)c1cc(C)cs1	1939458475	MCNDJIXNXCJCIJ-OCCSQVGLSA-N	239.428	4.519	0	10	BJAE	
CNCC1(CC2(C)CCCCC2)CCCCC1	1940406371	LZDFXXUWSWNWPJ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)[C@@H](C)CCC	1940864500	PWEXICRATFXEJO-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H](CC(C)C)C(C)C	1941266286	CVRQCVGCEOUKMH-HOTGVXAUSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)CC(C)C	1941590665	DBCIFOFFLYDXJO-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(CCC2CC2)CC1	1941597354	QPZGJUZUIKSHSV-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
C1=CCC(Cc2ccc(C3CCCC3)cc2)C1	1944138479	ZEIPRIBDMVAVIL-UHFFFAOYSA-N	226.363	4.853	0	10	BJAE	
CC(C)=CCC[C@H](O)C(C)(C)C1CCCCC1	1944619333	WPIULTUNMPXIFR-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)C1CCCCC1	1947462424	NLYVALPRSDTHPM-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(O)CCCCC12CCC2	1947914457	TVJGMGDNOACZJD-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)NCCC1(C)CCCC1	1948327526	PRAXUMRCZKTXFR-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](N)CC1CCC(C(C)(C)C)CC1	1948425058	IZJGJWDDQNEKKO-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CCCC1CCCCC1)NCC	1948426016	SZXYPVVSVNFFJU-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCC2=CCCCC2)CC1	1949042540	FFQUNAGOBHTHHK-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@@H](N)CC1(C)CCCCC1	1949066701	MRIMXFZIODGVHM-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H]2CC[C@H](C)C2)cc1	1949502427	VFKXLHSEVDNCFC-HEHGZKQESA-N	232.367	4.768	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC[C@H](C)C1)C(C)(C)C	1949534557	FAIQEBFKRZORDY-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
O=C(CCCC1CCCCC1)CC1CCCC1	1949860887	ABSKKMMOEKPXLC-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC1(C)CCC[C@@](CO)(C2CCCCC2)CC1	1950910586	HYFVGCVCECPQKI-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](O)CC2(C)CCCC2)CC1	1950911530	PGEVYUGJVWCOOB-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@@H]1CCC[C@H](C)CC1	1950925446	TVFQHXBPBXTLBT-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CC(Nc2cccc(CC)c2)C1	1968339771	NXPLJRCYBDUEMI-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CC1(C)CCCC[C@H]1CN[C@H]1CCC2(CCC2)C1	1970085910	KZMOTJLYMAKELI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CN[C@H]1CCCCC12CC2)C1CCCCC1	1972744679	OCJBAGSHOGGPNM-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@@]1(C)C[C@@H]1NC(C1CCCC1)C1CCCC1	1973341386	GSBQVIKBQDJHRH-RDJZCZTQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](CNc2cccc(C3(C)CC3)c2)C1	1973398763	UFCKYVCNPCCOQE-ZIAGYGMSSA-N	243.394	4.586	0	10	BJAE	
C[C@H](CC1CCCC1)NCCC1CC2(CCC2)C1	1973743451	KJZFNKJKHFNJIA-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC)C(CC)(CC)CC	1978587836	WMAWBUZMKQMGAB-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1ccc(Cl)cc1	1980681859	PVURCXBTQDVXBT-CQSZACIVSA-N	240.774	4.590	0	10	BJAE	
CCC(C)(CC)CC(=O)c1ccccc1Cl	1980683971	AKTQHYCVYADZLC-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC(=O)c2cccs2)C1	1980688504	WRTXRGNFKZEWFM-NEPJUHHUSA-N	236.380	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC(CC)CC	1981009347	BRMFRBOYZWRDKF-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1cc(C(F)F)cs1	1983699650	UKNBTCGOWORCCR-PSASIEDQSA-N	247.354	4.512	0	10	BJAE	
C/C=C/CCCC(=O)c1cc(C(F)F)cs1	1984589206	NBKJFDBADZRUGF-NSCUHMNNSA-N	244.306	4.615	0	10	BJAE	
CCCC[C@](O)(CC)CC(C(C)C)C(C)C	1988237831	GYGVCWSDMVKRQH-OAHLLOKOSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H](CNc1cccc(C)c1Cl)C(C)C	1988769055	XXXISXHLPDKTDY-LBPRGKRZSA-N	239.790	4.743	0	10	BJAE	
CCCCCC(=O)c1cc(Cl)c(F)cc1C	1993689065	PRCGRHQBBRPHMA-UHFFFAOYSA-N	242.721	4.551	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)C1CC(C)(C)C1	1998645380	JRDIHJMDFLWHOO-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC)CCC[C@@H]1CCC=CCCC1	1999991620	BMIIDMOIEKFZAM-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@](O)([C@H]2CCCC(C)(C)C2)CC1	2000029615	ZKBGKAFODQXVON-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@@H]1C=CCC1	2000379902	QKCVKIKZZQYRAR-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C[C@H]1CCC12CCC2	2001851088	KWULEDPIQAAUIW-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(O)C2CCCCCC2)C1	2002999266	RSXAPYTVYYYMOW-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CNC1CCCCCCCC1)C(C)(C)C	2003092840	LVTGMSNMJMBPFR-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC1CCC2(CC1)CC2	2003222719	YPKGFGPOWBJFLH-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@]1(C)CCCN(C[C@H](C)CC(C)C)CC1	2004338365	CRUKFZYQZTURFU-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
CCCC(CCC)CNC1(CC)CCCCC1	2004718159	KKMAFEZZOSCDJN-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@H]1C[C@H](CC=C(C)C)C[C@@H](CC)C1	2006630991	YPAKSNNPGKPOIC-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)CC2(C)CCC2)CC1	2007699544	YDWJRYUZVSDJKW-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1CC(C(C)C)C1	2007768735	FFRIJAYNWOJKDH-SHARSMKWSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@H](O)C(C)(C)C1CCCCC1	2009590315	GJHTYNDIZHXXNB-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@H](CCC)CC(C)C	2009628035	LUQCKNBIPVJPDM-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCCC1CC(N[C@@H](C)CC2CCCC2)C1	2009718188	UPTGYHXYBRBJNV-JEYLPNPQSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@H](N)C1=CC[C@H](CC)CC1	2010737760	KPAQZGUYYBWYLW-BBRMVZONSA-N	237.431	4.667	0	10	BJAE	
CCNC[C@@](CC)(CC1(C)CCCC1)C(C)C	2012425340	IKLFYPWHIZWPHF-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCCC(=O)O[C@](C)(CC)CCC=C(C)C	2014036897	XEASFTXZJPSDOQ-OAHLLOKOSA-N	240.387	4.635	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H]1CCC1(C)C	2014845367	FBPONTVMHCSKJO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)C1(C)CCCCCCC1	2015275182	OBCQDDPQUGAXME-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(CCOc1ccc(F)cc1)C(C)C	2015389016	SDVYPXCDTLAWPZ-UHFFFAOYSA-N	238.346	4.523	0	10	BJAE	
CCCC1([C@@H](N)[C@H]2CCC[C@H](CC)C2)CCC1	2015593665	FCOHDSVXNDOEPJ-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cccc(C)c1C	2016144903	MGLHWMUQWFOFSP-AWEZNQCLSA-N	231.383	4.850	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C[C@H]1C[C@H]1CC	2016851551	IZUHXPYRHBRRJE-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2CCCC[C@@H]2C)CCC1	2017129088	KWAVTLCEIZMEOU-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC1(C(C)(C)C)CCC1)[C@H](C)CC	2017138257	IBHQBORLOKKINF-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](CC[C@@H]1C[C@@H]1C)NCCC	2017238755	QOSIVOJYNKHPML-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(F)CN(C)[C@H](C)C1(C)CCCCC1	2017467336	VTENOWXOBJLAEI-CYBMUJFWSA-N	241.394	4.541	0	10	BJAE	
CC[C@H]1CCC[C@H](N(C)CC(C)=C(C)C)CC1	2017468851	OBWKIHOCHRIQPW-HOTGVXAUSA-N	237.431	4.633	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1CC[C@H](CC)CC1	2017728812	PGBWCFUFXRKPIL-SHTZXODSSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H]1CC[C@@H](C)C1	2018182963	KOLFHZNOOYLLEJ-PMPSAXMXSA-N	239.447	4.713	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CCCC(C)(F)F	2018187137	CSVKGKVWJZBIBP-CYBMUJFWSA-N	249.389	4.713	0	10	BJAE	
CCCC1(C[C@@](C)(O)C2(C)CCCCC2)CC1	2018965051	NOAPQXYESZJJMH-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CC1(CCC)CC1)NC	2018995500	PHEVSNLOFRYQPM-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1(CCC)CC1)NCC	2018999896	NJISVPNOGFAWGK-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCCCN(C(C)C)[C@@H]1CCCC[C@H]1CC	2019202206	WIZTZBOUSLEHOP-HZPDHXFCSA-N	239.447	4.856	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCCCC[C@H]1CC	2019204552	XLVVDLGMNIUWCB-OAGGEKHMSA-N	237.431	4.610	0	10	BJAE	
CCN(CC(C)(C)C(C)C)C1CCCCCC1	2020502544	URTXNASRWDGMRV-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
C=CC=CCCN(CCC)C1CCCCCC1	2020502725	VHSJFLGDWXTHCJ-UHFFFAOYSA-N	235.415	4.554	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(O)CCCCC[C@@H]1CC	2022455101	SRILFQUZPNCREH-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CCC)C(CC)CC	2022487792	WFYJDCLRXNJLEQ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1C[C@@H]1C1CCCC1	2022497867	DMYVSDXDHWVHBW-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1C[C@@H]1C(C)(C)C	2022558921	AGDVLDCRLFFSDQ-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CC=C[C@](C)(N)CC1CC(C)(C)CC(C)(C)C1	2024100383	CCJUSOKVEDQWID-INIZCTEOSA-N	237.431	4.523	0	10	BJAE	
N[C@]1(CCC2CC2)CCCC[C@H]1C1CCCCC1	2026896332	JJMFAEAQPLGRTE-IRXDYDNUSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)c1cc(C)oc1C	2027736384	NKXGINLESBDING-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CC1(C)C[C@@H]1CCCn1ccc2cc(F)ccc21	2027831671	IGIPPSIOXIAOFT-ZDUSSCGKSA-N	245.341	4.607	0	10	BJAE	
C[C@@](N)(CCCC1CCC1)[C@@H]1CC2CCC1CC2	2028485616	PGVATAHLGDZBIW-BHUNQDJPSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@H]1CCC[C@@H]1CC1CCC=CCC1	2028876307	YRVHXFMAZBCNIE-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
O=C(C1CCCCCC1)[C@@]12CCCC[C@H]1CCC2	2031848112	CWDITNKFIZHTME-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)C(C)(C)C(C)C	2032346696	PNZUFMXUSROLMY-MRXNPFEDSA-N	247.426	4.753	0	10	BJAE	
C1CCC(C2(NCCC3CCCC3)CCC2)CC1	2033058402	HORQOPXZDLZSCE-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H](NC1CC(C2CCCC2)C1)C1CCCCC1	2033769345	YKGOKEMVPLTEAS-IGEOTXOUSA-N	249.442	4.514	0	10	BJAE	
O=C1[C@H]2CCCC[C@@H]2C[C@H]1CCC1CCCCC1	2034264573	QWTKHKNOLXYOPL-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@@H]1C[C@H]1C=CCCC1	2035586072	AJMUVQZDADFKJN-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2C[C@H]3CCCC[C@]3(C)C2)C1	2036659287	BCGKUMNRLCUXMU-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@H](N)c1ccc(CC(C)C)cc1	2037093747	PSZYNDUMGJVGKH-KRWDZBQOSA-N	247.426	4.711	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C[C@H]2CC23CC3)CC1	2037120173	PLDZVTNILQNROQ-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1ccccc1C1CC1	2037138263	GPLUHPDXTZBLIV-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CN[C@@H]1CCCC[C@H]([C@@H]2CCC3(CCCC3)C2)C1	2037698419	NNZHLTKHBFEKRC-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H](N)CC2CC3(CCC3)C2)CCCCC1	2037978783	CUKKXPZNSNGRPS-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC[C@H]1CC=CCC1)CC1CCCCC1	2038168911	WPXYCLJJCYEFKL-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](NC[C@@H]1CC12CCCC2)C1(C)CCCCC1	2039864310	ZAYJFMDIWKMLCQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@]2(N)CCCC3(CCC3)C2)C1	2041291485	ZLRXPDCCKWGXAG-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C=CC=CCC[C@]1(CNC(C)(C)C)CC=CCC1	2042093780	KMARJPUJAMKPKB-KRWDZBQOSA-N	247.426	4.623	0	10	BJAE	
C1=CCC[C@@H](CN2CCC23CCCCC3)CCC1	2045305106	MEEWFVZKQQSEDA-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2CCC=CCCC2)CC=CCC1	2045309941	LMKISGNUOQLQIF-RDJZCZTQSA-N	246.394	4.829	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1CCC=CCCC1	2045315928	YZTZCFKIJWPVPZ-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2CCC=CCCC2)CCCC1	2045316286	CJBJDWXGQRMEDY-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1NC1CCC2(CCCCC2)CC1	2045670155	DTFBFTFCBSETQX-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CN2CCCC23CCCCCC3)CC1	2046561096	AUYSQZLOZNKDEY-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCCCN(CC[C@@H]1CC1(C)C)c1ccccc1	2046579218	NONQEIYWTDMLIX-OAHLLOKOSA-N	245.410	4.729	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1[C@H]2CCCC[C@H]21	2048449696	KGCGSZCMPSARFD-MUJYYYPQSA-N	243.394	4.658	0	10	BJAE	
CC[C@H]1CCC[C@](CNC2CC2)(CC2(C)CC2)C1	2048882343	KGCVMTBRAAVQPM-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)c1	2049536843	OGAATYWTGGYENH-IIAWOOMASA-N	245.410	4.876	0	10	BJAE	
C[C@@H]1CC=C[C@@](N)(C2CCC(C(C)(C)C)CC2)C1	2054983198	LOHXGDUGKAAHGH-VXTDNTOSSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1CCC=C[C@H]1NCC(C)(C)C1CCCCC1	2055562612	DTZDUWJJDLQJCX-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1(CC2(C)CC2)CCC2(CC2)CC1	2056562001	FNURNHDCISKELL-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
O=C(C[C@@H]1CCC[C@@H]2C[C@H]12)C[C@@H]1C=CCCCC1	2057358240	QZXZIMQGFMNJKM-JYYAWHABSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C)CC1)C1(CCC)CC1	2060928287	DIESWZYOZSJPFQ-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC1(CC[C@@H](N)C2=CC[C@H](C(C)(C)C)CC2)CC1	2061079834	CJMUUTDFLFHTCR-LSDHHAIUSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)C1=CC[C@@H](C(C)(C)C)CC1	2061111973	AWFVVXJZQBJQRC-CPUCHLNUSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@](C)(F)c2ccc(N)cc2)CC1	2061138597	YFCAZXPDRDVHOW-MRXNPFEDSA-N	247.357	4.590	0	10	BJAE	
CCC1(CC)CCC(NC2CC(=C3CC3)C2)CC1	2061257325	AFDCMSHHUXFAKA-UHFFFAOYSA-N	247.426	4.578	0	10	BJAE	
CCN[C@H](CC[C@@]12CCC[C@H]1C2)C1CCCCC1	2061575167	PHMDXXOEEHMIMP-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)CC[C@@]12CCC[C@H]1C2)C1CCCC1	2061604915	CMGJRZNNIXZDHX-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
C[C@@](N)(CC1CCCC1)CC1CC(=C2CCC2)C1	2061656836	LOICNCKCDDKTNX-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](C)[C@H](CC1CC(=C2CCC2)C1)C(C)C	2061738024	XYGMIXLWPGPGNI-CXAGYDPISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@]12CCCC[C@H]1CCC2	2062624563	KELONUROYRJTIT-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CN[C@H]1C[C@H](CCC2=CCCCC2)CC(C)(C)C1	2063640395	SRVDQSVICQCTBN-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@H](N)CC23CCC(CC2)CC3)C1	2065281839	KMYZNBDMHYFNDE-JPLDOALUSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@](N)(C[C@H](C)C(C)C)c1ccccc1	2069018852	LKHZTBKYJMGEDJ-RDJZCZTQSA-N	247.426	4.569	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(CN)CCCC23CCC3)CC1	2072796411	OCWMMAUZRJWYLS-ZOBUZTSGSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCC[C@@H](CN)C2)CC1	2072821616	NDUZJIZZLAUNPU-BFYDXBDKSA-N	249.442	4.668	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H]2C=CCCC2)CC1	2072873321	NBBSQUMUHPBITO-GPANFISMSA-N	248.410	4.908	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@]23CCCC[C@H]2C3)CC1	2074113444	MHSOUKRZZDSGTJ-UMAGBFNSSA-N	248.410	4.742	0	10	BJAE	
CCCC1(CN(C)[C@@H]2CCCCCC23CC3)CC1	2074592303	BLENVCYFVOPCRL-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)[C@H]1CCCC12CCC2	2074633902	JMHFEHFVMRKKHR-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCCN([C@@H]2C=CCCCC2)CC1	2075401510	NPMXZIPBJCOGJL-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@@H]1[C@H](C=C2CCCC2)CCCC1(C)C	2076403442	YJPFCZOCKKEMJS-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1C[C@H]1C1CCCC1	2079491865	MLLMNRQMRSETMD-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@@H]1C1CCCC1)C1CCCC1	2079886938	RVAXHSVYUPWCIE-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)ccc1NC1[C@H](C)CCC[C@H]1C	2081946262	FSQZMDFXWNBMBO-VXGBXAGGSA-N	249.373	4.625	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@H]1C[C@H]1C=CCCC1	2082221752	QQDNUFPDJONNIP-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@](C)(CCC)CNC1CCC1	2212588151	NCTBKEMTNAJBFK-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213277882	OVYSRIOHRZKXIB-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2213284671	KBTJICYGRPJATM-QDMKHBRRSA-N	234.383	4.518	0	10	BJAE	
CC[C@H]1CCC[C@@]1(N)CCCCCCC1CC1	2213571112	DKJHICLRDNHXIW-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CCC1(C)CC(C)(C)C1)C(C)(C)C	2215395064	JMPUGHVWGDQSQA-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCCCC(F)F)CC1	2216522484	QBZUUYKVEOINKB-AWEZNQCLSA-N	244.325	4.518	0	10	BJAE	
CC1CC(O)(CCCCCCCCC2CC2)C1	2216880238	SANGOLSXGSZHDK-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC1(CN[C@@H](C)CC)CC2(CCCC2)C1	2217127028	GNJQUNIGJLQBGG-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CCCC(C)C)CC1(C)C	2217138044	LVKUBEFHGVYCCZ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@]1(CN[C@H](C)CC)C=CCCC1	2217154379	TZCLSMFROORCKF-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](NC[C@]2(C)CC=CCC2)C1	2218041718	ZDBRZNGTCGPGNI-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCCC1	2218323836	ZPPIOOMIYXDYFF-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218330129	FDQRJJXFCVKKOQ-YXWQFLTLSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(CC1CCC1)CC1C[C@H]2CCC[C@H](C1)C2	2218355538	DDUZCOLMGRKFSY-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CC1	2218356005	ILUSFJQDPKXBPV-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(NC2CC(CC3CC3)C2)CC1	2218494746	ZQHDSLBNQXCSFN-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(O)ccc1-c1ccc(CC(C)C)cc1	2218643392	ZWTLPRZWXQPMKE-UHFFFAOYSA-N	240.346	4.566	0	10	BJAE	
CC[C@](N)(C/C=C/c1ccccc1)CCC(C)C	2219091666	ROCLQHXIORKHRV-YRYLYKBFSA-N	245.410	4.634	0	10	BJAE	
CC1CCC(CN)(CC2(C)CC3(CCC3)C2)CC1	2221028125	MZCOBQZHEMRNCY-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCCC1(CN(C)C[C@@]2(C)CC=C(C)CC2)CC1	2221606002	ZKXBGFPZMZMMOA-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1ccc(C2CCC2)cc1	2223681078	LGQMNRBCIDIASC-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
CC1(CCCC(=O)c2cccc3ccoc23)CC1	2224153101	LEGZIUCKRIXRMH-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCCC[C@H](O)CCCCCC[C@@H]1C[C@H]1C	2243901675	GAHCJZOTONWKOS-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C(=O)[C@@H]1CCCC[C@H]1CC	2244775893	SGDRIWNCWVWFPV-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CCCCC12CC2	2246615587	WFQGJJTVCGUEPT-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)(CC)NCC[C@H]1CCCC12CC2	2247654233	ITZMUYGNHSERQP-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1CC(C)(C(=O)CCCCC[C@H]2C[C@@H]2C)C1	2248856302	IKMQAQBHWXUJCK-WJEHIRDRSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(N)C(C)(F)F	2250469878	UFPPCZZSBJAOOO-QWHCGFSZSA-N	249.389	4.602	0	10	BJAE	
Cc1cc(C)n(CC[C@@H](C)CCCC(C)C)c1	2250489133	VPKGALGRFZZMJX-AWEZNQCLSA-N	235.415	4.957	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](O)CC1(C)CC1	2250494793	DFGQTLJZHLXREV-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C1CC(CC(C)(C)C)C1	2251532673	ZTVOYBKNIPDJBQ-VXGQWTEUSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@H]1[C@H](N)C(C)(C)CCC1(C)C	2251712261	MBJPOOCXYXOEQG-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H]1[C@@H](CCC(C)(C)C)CCC1(C)C	2251713093	QNHYQONHGCCLEG-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)CC[C@@H]1CCCCC12CC2	2253790200	GPBHARBDJXEYBT-BBRMVZONSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H]1CCc2cccc(C)c2N1	2253869521	DPUBRXFZLMUUKS-OAGGEKHMSA-N	243.394	4.548	0	10	BJAE	
Cc1cc([C@H](N)CC[C@@H]2CCC[C@H](C)C2)c(C)o1	2253925384	VHBYEEJUJNOIDJ-HZUKXOBISA-N	249.398	4.503	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NCC1CC2(CCCC2)C1	2254084409	OWBURKFMWRYCQM-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@H]2C[C@@H]2C)c(C)c1	2254592698	NXOWZIRIKOGWBV-JLJPHGGASA-N	245.410	4.520	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC12CCC2)C1(C)CCCCC1	2254835302	BIMFZLUWWXGLES-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](C)(N)C1CC2(CC2)C1	2257313823	DVIOJAWKIZWGTQ-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](Nc1cc(C2CC2)ccc1F)[C@H]1CC1(C)C	2259125325	FJPHLTHUUGINAQ-ZWNOBZJWSA-N	247.357	4.550	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)c1cc(C)cc(C)c1	2259452754	IGCHYFIPZUDYQD-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@]12CCCC[C@@H]1CC2	2260532629	DHKUDNXBIVMZGW-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@]12CCC[C@H]1CC2)C1(C)CCCC1	2260616345	ZLDCEJWTFUKRMM-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H]2CCNc3ccc(F)cc32)C1	2261340849	YBKAQVCDXBCIAL-JHJVBQTASA-N	247.357	4.551	0	10	BJAE	
C[C@H]1CC=C([C@@]2(N)CC(C)(C)CCC2(C)C)CC1	2261381003	KPRPFOQYQMFCIU-GUYCJALGSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H]1C[C@@H]2CC[C@H]1C2	2298395968	TWUFPZNHIQVVCG-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@](C)(CC)C(F)F	2299837711	GHEHVZGDZNQSFM-SCRDCRAPSA-N	249.389	4.602	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)C1CC2(CCC2)C1	2300676317	NGHDIFZODYFVCU-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC(=O)c1cccc(F)c1C	2300700425	LLPPNDSWENDRLJ-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H](C)C1CCCCC1	2300880865	NDSIXOBCVFWEGN-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@H](O)CC=C(C)CCCC(C)C	2300930441	ZLVCEJQQMIGODR-OAHLLOKOSA-N	240.431	4.946	0	10	BJAE	
CCCC[C@](CC)(CO)CC1CCCCCC1	2301244546	NFTPKJBGVUCVHM-INIZCTEOSA-N	240.431	4.926	0	10	BJAE	
C[C@H]1CCCC(=O)[C@@H]1CCCC1=CCCCC1	2302331610	NPULCBNGIFMCSI-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)c2csc(C)c2)CC1	2303523461	HUCOOJKBHRSXJX-ZFWWWQNUSA-N	249.423	4.583	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](CC1CC1)C1CC1	2303664060	ZTEOKZGUMGTLAO-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)N(C)CC[C@@H]1CCC(C)(C)C1	2304393182	DHLCURTXMSYZKU-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CC[C@@](N)(CC[C@@H]1CCC(C)(C)C1)CC1CC1	2304435246	HPSGIWQXZLRACR-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(CNC(C)C)C(C)C	2307831225	IYGZQGYBTQAQMK-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC[C@H](CC)CC1	2307841262	GCBOYAQOOKIXEG-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CCCCC1(C)C	2307892403	HSMWKRMGPODGDC-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CC1CCCCCC1)c1c(C)coc1C	2316880684	KYNXAWDVJKTAAN-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1[C@]1(N)CCCC2(CCCCC2)C1	2317083900	PUDWCQMHJWMZQA-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)CCC1=CCCCC1	2317981191	XILBWFYVZAVNBU-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1[C@@H]([C@]2(N)CCC3(CCCCC3)C2)CC1(C)C	2318247154	GGPFQJNMOGYNKU-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C)Cc1ccc(C(CC)CC)cc1	2318404616	GOMAFZXMHWIVLO-AWEZNQCLSA-N	247.426	4.521	0	10	BJAE	
C[C@@](N)(CCCC1=CCCCC1)CC1CCCC1	2318549412	WGXAASAPLVKGOR-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)C[C@H]1C[C@H]1C	2318569701	SGHCVDFZTMOBHM-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
NC1(CC[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCCC1	2318866162	CIMMPEKNGRCDNW-ZSHCYNCHSA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)C[C@H](CNC[C@H]2CCC[C@H](C)C2)CC1	2320267211	CIUHRPKPQNGABV-RRQGHBQHSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(F)c(NC[C@@H]2CC[C@@H]2C(C)(C)C)c1	2320320381	NPMLVEIGVYLMFD-STQMWFEESA-N	249.373	4.618	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C2=CC[C@@H](C)CC2)c1	2320517379	QFKVQYQTJVHRRP-DYVFJYSZSA-N	244.378	4.590	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](O)c1cccc(C(C)C)c1	2320577821	JPDOVVHPZCMTKD-FRFSOERESA-N	246.394	4.670	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)[C@@H](CC1CC1)C1CC1	2320770099	CTIXXLIBYVPZMO-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@]23CCC[C@H]2C3)C1	2321628336	QTEUBTNGAWYBLC-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)CCC23CCCC3)C1	2321643079	UKZNGMQTXUIBTL-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CCc2cc(C)ccc2N1	2328279354	VDPLQHIOWQLSDF-GDBMZVCRSA-N	245.410	4.938	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1C[C@@H](C)CC(C)(C)C1	20018898	BIQCUALRBLRZRA-RISCZKNCSA-N	249.373	4.761	0	10	BJAE	
CCC[C@H](C)Nc1ccc(Cl)cc1Cl	20019333	YRUHRUWFFXNIND-QMMMGPOBSA-N	232.154	4.594	0	10	BJAE	
C1=CC[C@H](CNc2ccc3sccc3c2)CC1	36975658	NZDMEPGBDRROSM-LBPRGKRZSA-N	243.375	4.670	0	10	BJAE	
CCCC[C@H](CC)Nc1ccccc1Cl	68985510	MLKMROLPPTXDIX-NSHDSACASA-N	225.763	4.721	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1cccc(Cl)c1	70558318	CPGGPRAAJXSKLN-BXUZGUMPSA-N	237.774	4.721	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2ccc(F)c(C)c2)C1	71154604	YSKCUMOZZILWNQ-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCCC(C)(C)C1	79972278	IOOGBMOVHOVEGH-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
Clc1cccc(Nc2ccc3[nH]ccc3c2)c1	82715164	ZAEQMBMPSPLKBD-UHFFFAOYSA-N	242.709	4.565	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCCCC1(C)C	94279850	ILSQEMKGCJDHEG-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	94322015	SXFZQGUKZGGTMP-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc2c(c1)CCCC2	97470363	LYFUGWPDSOUZQS-QGZVFWFLSA-N	246.394	4.569	0	10	BJAE	
CC(C)(C)C1CCC([C@@H](N)c2ccccc2)CC1	104010592	SAZKLIQGTBQCQA-GPANFISMSA-N	245.410	4.539	0	10	BJAE	
CCCCC[C@H](C)Nc1ccnc2ccccc12	104177454	GQZHDNIALUGFGG-ZDUSSCGKSA-N	242.366	4.616	0	10	BJAE	
CC(=O)CC[C@H](C)c1cc(C(C)(C)C)ccc1C	107599517	XWPNOGXQLVQYGU-LBPRGKRZSA-N	246.394	4.765	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)c1ccc(C(C)C)cc1	109718238	DMJRNRMPRQMJJU-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
CCCN[C@@H](CCC1CCCCC1)C1=CCCC1	110230488	NTCCZFAYDAVTEC-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Fc1ccc(-c2cc(F)c3ccccc3c2)cc1	112733547	SQOJENJTHCWQJG-UHFFFAOYSA-N	240.252	4.785	0	10	BJAE	
CCC[C@@H](C)CC1(N)CC(C)(C)CC(C)(C)C1	125003713	FIVZHGHELCOHFD-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C2CCCCCC2)C1	149433668	DIBGGSAVANPZJO-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H]1CCCC[C@@H]1CNCCC	155610763	ZZUAEGMTZGYEQY-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H](C)[C@H](CNC(C)(C)C)C1=CCCCC1	161464106	PPLYIGRYKSLPBS-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCC(O)(CCC)c1cccc(C2CCC2)c1	165434815	IQEBQKQJOARWRT-UHFFFAOYSA-N	246.394	4.742	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@H]1CCCC[C@@H]1CC	166911361	YKHOAFVEWKQEBM-CWRNSKLLSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](O)c1cccc(C2CCC2)c1	168762126	VEUDPGMQRRKNIZ-INIZCTEOSA-N	232.367	4.568	0	10	BJAE	
C[C@@H](Nc1ccsc1Cl)c1cccs1	188757225	WXKDAEFWQHOVLW-SSDOTTSWSA-N	243.784	4.636	0	10	BJAE	
Cc1cccc(OCc2cccc(C(C)C)c2)c1	205437483	HCGBCVFXGXJMOH-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCC[C@@H](C)[C@H]2C)c1	227003614	ADTNTLUDPWQUCA-YUELXQCFSA-N	231.383	4.540	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1cccc2ccsc12	228960501	LKZBQHNZRRDHSW-FZMZJTMJSA-N	247.407	4.598	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1cccc2ccsc12	228967275	VTMGAIYOEKOZPP-RISCZKNCSA-N	247.407	4.598	0	10	BJAE	
CCCC1(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	232951349	OVXIOAFGCVXFNH-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CC[C@@H](C)[C@H](C)C1	250353971	DMAMDLOEJLRFLJ-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2C[C@H]3CC[C@H]2C3)CC1	251275607	DLNIIBRQVTUGAX-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
N[C@H](C1CCCCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	253193719	PAQBDFZTWDZOHP-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(Cl)c(NCCCC(C)(C)C)c1	300947268	WURPMVFCQISCCY-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
F[C@H](CCC1CCCC1)c1cccc2c1NCC2	302286293	WAQRBPKBEURWQP-OAHLLOKOSA-N	247.357	4.636	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NCC1CCCCCCC1	302351499	WOGJIWDWIYUUHT-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCc1c(Cl)cc2sccc2c1SC	306899305	ZWPRUYDNJYYLIJ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1ccc(NC2CCC(C)CC2)cc1C	310069970	ZRICNRZPEALWJW-UHFFFAOYSA-N	231.383	4.548	0	10	BJAE	
CC(C)(C)CC[C@@]1(O)CCCCC12CCCC2	310281913	PSJRZMBKZAQNEK-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@H](C)CCC	310565849	XKSGIZOUNLJXRN-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)c1cccc(C2CC2)c1	310577420	GSMBIZVSTPRAOY-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@H](CCC)[C@H](CC)c1cccc(C)c1	310838859	ARQUFDQIDFNRFM-IAGOWNOFSA-N	247.426	4.657	0	10	BJAE	
Cc1ccc(Cl)c([C@@H](N)CC2=CCCCC2)c1	313417001	MOKDFOJVVKJMKH-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1	315243571	YOFKTAXPZVXRFG-QBYUYEEZSA-N	243.394	4.540	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CNC)CCC[C@H]1C	317430502	QFSJOHYLEWNBHU-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)C1(CNC(C)(C)C)CCCCCC1	318243128	AFMUADMFKYBLMI-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCC/C=C\c1ccccc1)C(C)C	324170990	QVEBITILTDTJFS-CGICMKJESA-N	245.410	4.504	0	10	BJAE	
C[C@@H]1[C@@H]2CCCC(C)(C)[C@H]2CCC1(C)C	379695808	GXKYYOMGGFWFAS-AGIUHOORSA-N	208.389	4.885	0	10	BJAE	
CC1CCC(C[C@@H](O)C[C@H](C)C(C)(C)C)CC1	380158481	KKOQMMUDSCBAKB-SHWKFHJASA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C(=O)C[C@H](C)CC(C)C)c1ccccc1	380654467	ORZQOSGRXLSVAS-ZBFHGGJFSA-N	246.394	4.822	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1C=CCCCCC1	383235036	UGSPPDFMJDFEKJ-HOTGVXAUSA-N	237.431	4.824	0	10	BJAE	
CC(C)CCCCCNCCC1=CCCCC1	383304374	UNWUMAKOMMRKMU-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC(C)CCCCC[C@H](N)CC1CCCCC1	383319806	XLVFNFCHNKIEPM-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)Cc1ccccc1	384155251	PDUBURXTCUUIKE-RDJZCZTQSA-N	248.410	4.587	0	10	BJAE	
CN[C@H](c1ccccc1)[C@H](C)CC1(C)CCCC1	386099707	JQHPLCNTHPEVNI-ZBFHGGJFSA-N	245.410	4.554	0	10	BJAE	
CCCC1(CN[C@H]2CCC23CCCCC3)CCC1	391894779	GOASVYUHLQLLKK-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(C)NCCCCCC1CCCCCC1	394560527	FTVFXLFKRQWAIT-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC1(CNc2cccc(F)c2)CCCCCC1	394588356	KQJBLAHHXSSDJQ-UHFFFAOYSA-N	235.346	4.598	0	10	BJAE	
CC1CCC([C@H](O)C2(C)CCCCCC2)CC1	394612103	SPGQZHOZHJDIQX-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCOc1cc(C)cc2sc(C(F)F)cc12	396245891	OOEOYGMACUGKEV-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1cc(C(F)(F)F)c2ccsc2c1F	396300775	PLNRVUCXIUBYGZ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H](C)C(C)(C)C	401144615	ZUULGBQSSSHIMI-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)CC1(C)CC1	401348050	VVXKFPXZRMWGEI-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)C[C@@H]1CC[C@@H]2C[C@@H]2C1	403370189	MKWSPKGVNDXBAJ-ZGRNTEGGSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC/C(=C/Br)CC1	606288518	ZPCIPGABGKWBDI-HIJJYWJESA-N	231.177	4.502	0	10	BJAE	
c1cc(N[C@H]2CCc3ccccc32)cc(C2CC2)c1	690096395	SFBMLKMGCOEYFC-SFHVURJKSA-N	249.357	4.663	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1Nc1ccccc1F	691098686	JECCRRPZTHFSEL-ZFWWWQNUSA-N	249.373	4.843	0	10	BJAE	
CCCCCCNc1ccc(CC)c(Cl)c1	691252808	UJZNBPYEKJUABK-UHFFFAOYSA-N	239.790	4.895	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)C1CCC(CC)CC1	692059797	NLWKLYLDAUSOKA-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@H]1CCC12CCCCC2)[C@@H]1CC1(C)C	693813663	JRYHFWXLCRQJAV-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)c1ccc(C)c(C)c1	695096947	FFFLKNSMUHQBQK-HUUCEWRRSA-N	247.426	4.779	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)c1ccc(C)s1	695097944	IWBLJQFLGRJJHP-NEPJUHHUSA-N	239.428	4.532	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CCC=C(C)C	697598578	JZLJAAHYVJKUNM-CABCVRRESA-N	226.404	4.556	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H](C)CC(C)C	704954162	DNPUHMUYORRAHN-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(N)(C1CCC1)C1CCC1	705335993	RFOBXBALPXNFRY-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(CCC(=O)C[C@@H](C)C(C)(C)C)c1	711142906	DKJOIGMMCVTVTQ-CQSZACIVSA-N	246.394	4.569	0	10	BJAE	
CC/C=C/[C@H](C)Cc1ccc(SCC)cc1	714533531	RADMYWVYHNARKS-YBJDMEARSA-N	234.408	4.943	0	10	BJAE	
C/C=C/C[C@@H](C)c1ccc(Cl)c(C)c1	714547041	PEGHLUSIGDGKBT-ORAHPGNNSA-N	208.732	4.718	0	10	BJAE	
CCCCCCC1(CNCC)CCC=CCC1	718061962	SYUFMFATMILUMC-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@]2(O)CCCCCC2(C)C)C1	719275458	XGPBTKJYRXNJRH-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCCC1(C)C)C1CCCC1	719283509	DKGYRLGPQGWSIR-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H](CC)CC1CCCCC1	720941853	XZCIJWOQXGODOV-OFQRWUPVSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@]23CCCC[C@@H]2C3)CC1	822062075	AMMCBIRWRPHIJB-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCC(N[C@H](C)C(C)(C)C)CC1	1652754439	TZRDJTQCIYOZQR-CYBMUJFWSA-N	239.447	4.760	0	10	BJAE	
c1ccc2c(c1)CC[C@H]2Nc1ccccc1C1CC1	1893216536	XCYVZWBZEOIHJM-GOSISDBHSA-N	249.357	4.663	0	10	BJAE	
CCC(CC)CCOc1ccc(C)c(C)c1	1900691270	PUMRAVDSZCJNRT-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
CCC(CC)CC[C@H](CCC(C)(C)C)NC	1900702143	JNUOIJXPCGBING-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(C)=CC[C@@H](O)C[C@H](CC)C(C)(C)C	1900872336	WOWJXCBXSBVSNS-UONOGXRCSA-N	226.404	4.556	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)c2ccsc2)C1	1903427611	HUOWPZOOXIDVCG-NSHDSACASA-N	236.380	4.537	0	10	BJAE	
CCC[C@H](CC)COc1cccc(C)c1C	1905295046	UXVIUQLFONWHJY-AWEZNQCLSA-N	220.356	4.509	0	10	BJAE	
CC=CC[C@@H](CC)c1cc(C)ccc1C	1912055738	IIIJEMBXODCDGU-CQSZACIVSA-N	202.341	4.763	0	10	BJAE	
N[C@H](C1=CCCCCC1)C1CC2(CCCCC2)C1	1912592534	JOLBQHWQQPXRLQ-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
C[C@@H](C[C@H]1CCCCCCCCC1=O)C1CC1	1913384023	ISFBUDMWRPXXOK-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC(C[C@H]2C(=O)C[C@H]3CC[C@H]2C3)CC1	1916096989	STTIXFAHWCOWIE-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@@H]1CCC2(CCCC2)C1)C1CCCCC1	1916439552	AIXQRBZZOKTALI-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](C)CC1(CNC(C)C)CC(CC)C1	1921106651	FKOPJZGBBHFIQQ-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](c1ccccc1)[C@@H](O)CCC(C)(C)C	1921320882	RQJDIRFUCBOFNW-HOTGVXAUSA-N	248.410	4.613	0	10	BJAE	
CCc1cccc2ccn(CC[C@H]3CC3(C)C)c12	1921443716	CJUFHKREVZLRIR-HNNXBMFYSA-N	241.378	4.640	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC[C@@H]1CC1(C)C	1921561236	GDQKEGWFAJUZII-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
Cc1c(F)cccc1NC1C[C@H]2CCC[C@H](C1)C2	1923469895	DDRVCMINIFWCJS-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@H](C)C1CCCC1	1924097280	JHWZZUVOSKYBCU-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2C=CCCCC2)CC1	1925764588	BFKFNELEDBHNMR-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CC(CC[C@H]2C=CCCCC2)C[C@@H](C)O1	1925875751	YDTHERGLEIYIKH-KFWWJZLASA-N	236.399	4.717	0	10	BJAE	
CNC[C@@H]1CCCCC[C@@H]1C[C@@H]1C=CCCCC1	1925890208	DMEMRIFAXPQVPN-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C[C@H]1C=CCCCC1	1925898846	RPYTWYSKAKQWNT-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cccc2sccc12	1926355604	QZTRPVXQQHQHBT-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CCc1cscc1CCC(C)=C(C)C	1932992052	FJUBKURDDKDOAW-UHFFFAOYSA-N	208.370	4.599	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC2(C)CCCCC2)[C@H](C)C1	1940409090	WHJXSRFXZYQPSD-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1(C)CCCCC1	1940411596	XDWLYRWMKSEOOM-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CCC(C(=O)CCCC2(C)CC2)CC1	1940882204	PHEVJMPXMRFEPF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CC1(C)CCCCC1	1941271246	COFQMFDVGVXIFC-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@H](CC)C(C)C	1941273199	QAHXXQDSJISORL-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C1(C)CC(C)(C)C1	1941985633	LZKYKAHHYNMOFW-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCC12CCCCC2	1942813946	ZCQWUIOCFGWFLT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCCNc1ccccc1C1(C)CC1	1944600130	MHXJDQHLWUTBLH-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CCC[C@H]2C)C1	1944800196	WWOHFNHQPHOCFU-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C[C@@H]1CCC[C@H]1C	1944850264	STNKMBKOENKCKZ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CNC[C@@H]1CCC(C)(C)C1	1945590924	HXOGSVMMQQVTHO-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@@H]3CC[C@@H]3C2)cc1Cl	1946657421	HFGFFHJKPJXQMZ-IMRBUKKESA-N	249.785	4.503	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCC[C@@H](F)C1	1946965026	SLBHSIIMAVXBLV-MELADBBJSA-N	242.378	4.690	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NC1CCCCCCC1	1947454277	RBDVWKGGQISXHO-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
CCc1occ(C)c1C(=O)CCCC(C)(C)C	1947527807	WZKNMESOGUOFRO-UHFFFAOYSA-N	236.355	4.550	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H]1C=CCCCC1	1949139169	JWSHDAFUHAGFGS-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)CC[C@H](O)[C@H]1CCC2(CCCC2)C1	1949398449	GJGMNHORZHWYRY-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)CN[C@H]1CCCC2(CCCCC2)C1	1969980817	JRUAFSVGJQKHAB-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC1(CC)CCC(N[C@@H](C)c2ccoc2)CC1	1970459655	CFMUJQXFUASVLI-ZDUSSCGKSA-N	249.398	4.679	0	10	BJAE	
CCCC[C@@H](CC)CN1CC(C)(C)CC[C@@H]1C	1970777202	CWQCNANNKFWQIQ-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
C[C@H]1CCC[C@H](CCNC2(C3CC3)CCCC2)C1	1970876504	HOHFMXIITZJSTI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1ccc(C)c(Cl)c1	1976003709	PQCCEBQBGQGFDD-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CC1(C)CCC[C@@H](Oc2ccc(Cl)cc2)C1	1978373831	FSLFMLJPARIVQJ-CYBMUJFWSA-N	238.758	4.688	0	10	BJAE	
CC=CCCCCC(=O)c1cccc(Cl)c1	1984590880	HWXWFNLHJQJDNZ-UHFFFAOYSA-N	236.742	4.659	0	10	BJAE	
CC=CCCCC(C)(C)C[C@H](C)NCCC	1984633234	UVPIDYIUDYHDRI-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H](C)C1CCC1	1991141179	XEFSOKWWRZDDMG-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCCCc1ccc([C@@H](N)[C@@H](C)CC)s1	1991771772	LWCNBXNGLUIHSJ-FZMZJTMJSA-N	239.428	4.527	0	10	BJAE	
CCC/C=C/CN[C@@H]1CCC[C@H](CCC)CC1	1995875942	ZUJQLLGJOQXVKV-BUWFCSEKSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)CCC2CCCCC2)C1	1996237473	LFILVAVETWIKNR-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H]1C=CCCCC1)NC	1996618760	XGJHKMGPVRMHBP-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C[C@H]1CC12CCCCC2	2001212855	CAMIEMWITHVPJU-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1[C@H]2CCCCC[C@H]21	2002202540	PRGKXJURHRIJKG-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC[C@H]1CC=CCC1)c1cccs1	2003689159	YMBHKFNNQZGXHN-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
C[C@@H](NCC1(C)CCCCCC1)C1(C)CCC1	2004823986	XJYCWSIJXQWXIT-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@H](CC(C)(C)CC)C1	2006622045	COSOVMRJJODZHE-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)[C@H](O)[C@H](C[C@@H](C)CC(C)(C)C)CC1	2006903081	XHXYBVOZTIAEEU-UGFHNGPFSA-N	238.415	4.556	0	10	BJAE	
CCN[C@@H](CC1CC(CC)C1)CC(C)(C)CC	2007755619	ZXXFXGSPADROAI-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc2sncc2c1	2008089816	SIELOBVFJZDKQG-LBPRGKRZSA-N	248.395	4.677	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H](F)C1CCCCC1	2008755699	YXUVSQRPWWZPAK-HUUCEWRRSA-N	243.410	4.593	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2CC=CCC2)CC1	2009411192	OFCBYCLRLUISOF-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C[C@@H](N)C1=CC[C@H](C)CC1)C(C)(C)C	2010627101	ZNVHSELEOZRNRP-NWANDNLSSA-N	237.431	4.523	0	10	BJAE	
Cc1cc([C@@H](N)C2=CCC(C)(C)CC2)c(C)s1	2010751395	ZQPDAGFDCDLFEK-AWEZNQCLSA-N	249.423	4.501	0	10	BJAE	
CCCC1(C[C@@H]2CCCCCC[C@@H]2O)CCC1	2015635006	UXUCOPYPQMEGIJ-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1(C(C)(F)F)CC1	2016686272	QWAYYCKMGXPEGB-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CC1(C(C)(C)C)CCC1	2017111948	HUZQRPSMIBRUSN-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC1(C(C)(C)C)CCC1	2017112747	REERGFVKPBSLRD-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@](C)(O)CC1CCC(CCC)CC1	2017653379	RWCLLRCWWZHNHO-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C)[C@H](CC)NC)CC1	2017720882	ISXCLUZDCLCPND-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CC[C@H](N)CC(C)C)CC1	2017732157	YTDKCZCQERIDGJ-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H](C)C2CC2)CC1	2017774481	PEZOGWJUYQATML-IYXRBSQSSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)C(C)(C)C(F)F	2017797035	QDCQUWZPOIBBHC-NEPJUHHUSA-N	249.389	4.615	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)[C@H]1C=CCCCC1	2019506251	UJFCROWVMJKTIN-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCC(C)(C)[C@H]1NC	2020363045	FWTXWTZNRBFLDH-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H](C)[C@H](C)CC	2020537227	KISWIKDZNAMMPS-CABCVRRESA-N	239.447	4.856	0	10	BJAE	
CC[C@H](C)[C@H](N)CC1CC(C)(C)CC(C)(C)C1	2024097915	YVPHGDYUXNZWLW-GXTWGEPZSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(C[C@H]2CCCC(C)(C)C2)C1	2024129502	VYBILVNPKLKOPL-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CN(CC1CCC=CCC1)c1cccc(Cl)c1	2024672955	YNHGLKRLGWYHDU-UHFFFAOYSA-N	249.785	4.523	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)c1occc1C	2027301473	JANPMNHCXOOEKG-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@](C)(F)c2ccc(N)cc2)C1	2027936341	OLNIUOZRDUPDOP-TWJWRFFLSA-N	249.373	4.526	0	10	BJAE	
Cc1cccc([C@@H](N)[C@H](CC(C)C)C(C)C)c1C	2028255724	SLJYMNZSHJKCTR-IAGOWNOFSA-N	247.426	4.622	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)c1ccccc1C1CC1	2028561000	WHINOBUGUKVVHH-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
C(CCN[C@@H]1CC[C@H]2CCCC[C@@H]21)CCC1CC1	2028646280	NHFAPDTYKNWJEB-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C[C@H]2CC2(C)C)cc1	2032421082	MJDUFKLKHVXNNK-WFASDCNBSA-N	244.378	4.819	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC[C@H]1C)c1ccccc1	2032512391	AODMDPQVSAWZBI-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
CC[C@H]1CNCCC1=C1CCC(C(C)(C)C)CC1	2032560300	FOTCAKNCYIMZOM-CFMCSPIPSA-N	249.442	4.539	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)c1ccccc1C1CC1	2037106302	CUPLABBHTKGJSE-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CN([C@@H]1CCC2(CCCC2)C1)C1(C)CCCCC1	2037678006	HVQZSICCQIOBDI-OAHLLOKOSA-N	249.442	4.754	0	10	BJAE	
CC1(C)CCC(C(=O)CC2CC3(CCC3)C2)CC1	2038081573	UHJXEQAENCALDP-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@@H](N)[C@@H]2C(C)=CCC[C@H]2C)CC1	2039436970	QWFYEJDZBOQESP-PYVGIJRLSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC1[C@H]2CCC[C@H]1CC2	2042046348	AIESOINMDCYTCQ-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H]([C@@H]1C=CCCC1)[C@@H]1CCCC[C@H]1C	2043187409	LIHKVOXSNKGIFD-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)[C@@H]1C=CCCC1	2043187655	NMRCODSCOOZZMY-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CCC=CCCC2)CCCCC1	2045316376	CZKBHMHAOGNCJX-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)[C@@H]2CCCC3(CC3)C2)C1	2045391881	QHJWINVFGLDMQR-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCCCN1C[C@@H]1CC12CCCCC2	2047027971	WHGMQHZFGLIJPD-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
C1CCCCC(NC[C@H]2CCC23CCC3)CCC1	2049677655	FPCSGPCJZGNHGP-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H]1CCC[C@@H]1CC1CCC2(CC1)CC2	2049847323	APVPCHSGDOYZGP-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@H]1CCC2(CC2)C1)C1CCCCC1	2049860622	BSGCISUPXNHTGB-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2CCCC3(CC3)C2)CCC1	2049864713	KDNBIMHOALAIRK-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCN(C[C@@H]1CCCC2(CC2)C1)C1CCCCC1	2049932542	JTDADCMXCDAZRK-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@]2(C)C=CCCC2)c1	2050010242	RNSFJYARVJAHSP-QGZVFWFLSA-N	242.362	4.739	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1cc(C)ccc1F	2051400862	KMSIAJRLFMNROS-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC1([C@H](N)C2CC3(CCC3)C2)CCCCCCC1	2052481137	WUWWOXGWDIFMLK-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CCNC[C@]1(CC=C(C)C)CCCCC12CCC2	2053360921	RTOITQVNHWFKCZ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@H]1CCC[C@H](C)CC1	2053668124	SQPVKPWZUOJEOH-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCC1(C2CC2)CCCC1	2057604351	QIJKRHKAEFAKET-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@@H](N)C2=CC[C@@H](CC)CC2)CC1	2061097161	ACWPNZHTEFHTNH-LYSZQXJVSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC[C@@]23CCC[C@H]2C3)CC1	2061575200	PSCFFPMISYWRJY-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CC[C@]12CCC[C@H]1C2	2061618167	SYISIVPAAQIVEK-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)C1CC(=C2CC2)C1	2061651497	YMDOQZVGTZYAFG-DYVFJYSZSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCCN[C@@H](CC(C)C)c1ccccc1	2062372418	RQNJZJZTLZJHQE-BDUNBXCCSA-N	245.410	4.720	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CCC[C@@H]1C[C@H]1C	2062620176	MFDGSCKPTRPSQS-CKEIUWERSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063427460	NGVXCRCXPZHGOG-XFIYOXNOSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@@H]1CCCC(C)(C)CC1)C1CC2(CC2)C1	2064499179	ZQDJLTXIEAWGAI-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CC1CCCCCC1)CC12CCC(CC1)C2	2065305470	LCKFMRKZWUMFML-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cccc(C2CC2)n1	2066085010	RHTWGLVISRAZFN-CQSZACIVSA-N	246.398	4.586	0	10	BJAE	
C[C@@H](NC1CC2(C1)CC(C)(C)C2)C1(C)CCCC1	2067509453	RGZGYURPYZHKFX-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@H]2CCC2(C)C)cc1C	2068286190	DHMGRLNTDHHFDV-CZUORRHYSA-N	245.410	4.794	0	10	BJAE	
CC(C)c1ccccc1OCC1C[C@@H]2CC[C@H]2C1	2068699704	SWYYPMNFJGCPET-GJZGRUSLSA-N	244.378	4.625	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)c1cc(C)c(C)o1	2068912441	NWCQOQIMRUHCHU-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccc(C)c(O)c1C	2070396616	BPVTVYKVWVNDER-ZDUSSCGKSA-N	247.382	4.556	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]1C1CCC1)C1(C)CCCCC1	2071795440	SZWMBGIPMJEPFH-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1(CNC[C@@H]2CCC=CCCC2)CCC1	2071927436	ADXPKKGXNHKRAI-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1[C@H]2CCCCC[C@H]21	2072422016	BIBAAWAFSWWWNZ-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@]2(N)CC23CCCCC3)CC1	2072798955	OGGQLJMGFHNCPE-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@]23CCCC[C@H]2C3)CCC1	2074092904	AMTVMDHVGAXOFD-XJKSGUPXSA-N	248.410	4.742	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	2074645062	XLNJLXUTPVEQEL-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)[C@@H]2C=CCCCCC2)CC1	2074802611	RADBHYBQKODYAR-BRWVUGGUSA-N	249.442	4.776	0	10	BJAE	
CC(C)CC[C@H](C)N1CCCC[C@@H]1c1ccco1	2075233574	OECFBNIWHFQWMB-LSDHHAIUSA-N	249.398	4.631	0	10	BJAE	
CC[C@@](N)(CCC=Cc1ccccc1)C(C)(C)C	2075830023	QDGGWBHCLURSEW-QGZVFWFLSA-N	245.410	4.634	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	2079326788	BZCRECIKEVVKOE-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H]1C[C@@H]1C1CCCCC1	2079426371	AMMVAQVPKKBADO-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@H]1C[C@@H]1C(C)C	2079430750	GOHNANLATQMWFG-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@@H]1C[C@H]1C1CCCCCC1	2079481019	AVMYWTNCJWQDIW-VNQPRFMTSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](O)c1ccc(C(C)C)cc1	2079555326	UUOZWYALICMBMP-IKGGRYGDSA-N	246.394	4.670	0	10	BJAE	
O[C@@]1(C=C2CCC2)CCCC[C@@H]1C1CCCCC1	2080097486	FMKXEUCVFKCFPM-IAGOWNOFSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1	2081142078	VKHAPGFHIPYRMJ-HYVNUMGLSA-N	243.394	4.766	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC[C@@H]1C[C@H]1C1CC1	2081791072	BRDLMWUGJPYQFQ-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC(=CC1(C(C)(C)C)CCC1)[C@H]1CC[C@H](N)CC1	2082133325	LCBWBEIGHYHKPK-SHTZXODSSA-N	249.442	4.667	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)c1cc(C)cc(C)c1C	2082921832	JNMPNILSZMQZFC-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C2CCCCCC2)c1	2082959767	UGYLJSLWZOZSTI-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2CCCC3(CC3)C2)C1	2083039262	SONODVWVQYRJAR-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(CCN[C@@H]2CCC23CCCCC3)C1	2084915726	ZYKZNJRIBSHZGV-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1scc(C)c1C	2210579199	VODFZYMHACYXSH-CYBMUJFWSA-N	238.396	4.535	0	10	BJAE	
CCCCCC[C@@](C)(CC)CN[C@@H](C)CC	2212583012	BGUDHTDJVIDMHU-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@@H](CCCCC2CC2)C1	2214568664	KFLVMWZCLCSXMC-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CCCCC1CC1	2214570817	UYDDGFORYQTBJY-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CCCCC2(C)C)C1	2215388925	UIEVCMIPXITKAC-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)[C@@](C)(N)CCCCCCCC1CC1	2216860173	MLYOLZQGUPTRMI-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@](CC)(CN[C@H](C)CC)CC(F)F	2217125210	NMZQSYHODXOJHW-OCCSQVGLSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)NCC1(CCC(C)C)CC(C)(C)C1	2217156211	JLSPGDBIXQWYSU-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@H]1C=CCCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218333976	LRBNGINHDIVCGU-CAOSSQGBSA-N	246.394	4.518	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@H]1C[C@@H]1C1CCC1	2218722388	ADIUQASWDKTPSV-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1C(=O)CC1(C)CC(C)(C)C1	2221086428	QQIXQKGTECDBEO-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC1=CC[C@H](CN[C@H]2C[C@@H](C)CC(C)(C)C2)CC1	2221665885	GNJTYKVJDFKHHA-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCC1([C@H](NC)c2c(C)cccc2C)CCCC1	2221991758	ANIPTZBKMMKVRQ-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)(C)C(=C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)CN	2222947578	BCNBSKRVHUIAAH-QLFBSQMISA-N	249.442	4.524	0	10	BJAE	
CCC(CC)[C@H](CN[C@H](C)CC)c1ccccc1	2223598638	TUOAASBCWZAMLZ-PBHICJAKSA-N	247.426	4.595	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)CC(C)(C)C(C)C)cc1	2223964645	WYFUSUKMGFIMAE-AWEZNQCLSA-N	246.394	4.740	0	10	BJAE	
CCC[C@@H](CC)CNCC(CC)(CC)CC	2244779459	XMCLWKBSVDIOKY-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CC1CC(C)(C[C@H]2CCCCCCC[C@H]2O)C1	2246443761	OADVEOCXMCWKNM-LVDPKSTMSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C(=O)CCCC[C@@H]1C[C@H]1C)C1CCCC1	2247160510	VFOCWEBNAUPALD-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](CCCC[C@H]1C[C@H]1C)NC	2247170850	JOQIQSGIMRUYMN-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@@H]1CCC12CCC2	2247308819	SQVNRSMCECAIEY-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
N[C@@H](CC1=CCCCC1)CC1CCCCCC1	2247534838	MGLXQTMCGGHPPQ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
Clc1cccc(NCC[C@@H]2CCCC23CC3)c1	2247618474	FKXBSQBEVKMQQR-LBPRGKRZSA-N	249.785	4.722	0	10	BJAE	
C[C@@H]1CCC[C@H](NC(C(C)(C)C)C(C)(C)C)C1	2247718091	MRRDASBSFDRMPK-OLZOCXBDSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCC[C@@H]1CC1(C)C)NC	2250355027	IZNOQMWPNKPBNU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@]1(O)CC(C)(C)CCC1(C)C	2251679324	SBAKSIMKGOOYLX-CZUORRHYSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CC(C)(C)CCC1(C)C	2251680788	GDRUESUYHPSGJI-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)CC[C@@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251702677	SRRWOOGXQWWAKO-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C[C@H]1CCCCC12CC2	2253782838	PNDHQXMUCSLVLQ-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)CC[C@@H]1CCCCC12CC2	2253808518	PHXWTMZUEGMDPU-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC1(CCC(=O)CC[C@H]2CCCCC23CC3)CC1	2253837781	HEWWKHJFMOXBOW-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](CC1CC2(CCCC2)C1)C1CCC1	2254123719	ZZCXCGYEGPUPNM-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(N)(C1CCC1)C1CCC1	2254609418	MGMXHIVVMRLBSG-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@@H]1CCC12CCC2	2255019923	WETRBYPGSQRVPP-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
O[C@@H](CC1=CCCCC1)C[C@@H]1CCCCC12CC2	2255095030	QHSPUJJEMRYFMC-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CNC[C@]1(CC2=CCCCC2)CCCC(C)(C)C1	2255095689	UOVVDIDWHKEIOH-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@H](CC1CCCC1)NCC[C@@H]1CCCC12CC2	2255229162	VZTJPHLEJXBDFC-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@H]1CCCC12CC2)CC1(C)CCCC1	2255250719	YWNXHSXKEZYCJS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC[C@@H]2CCCC23CC3)[C@H](C)C1	2255269027	KSRQNFIXKVSYLA-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C(=O)CCCCC[C@H]2C[C@H]2C)oc1C	2257302800	XFTPYCMMPHJXPD-OCCSQVGLSA-N	248.366	4.686	0	10	BJAE	
Cc1ccc(NCCCCC[C@H]2C[C@@H]2C)c(C)c1	2257332469	WLHOCFBPJOMMEX-HOCLYGCPSA-N	245.410	4.932	0	10	BJAE	
CCC[C@H](CC)CNCc1ccc(C(C)C)cc1	2259479424	YRUUFPXECJCCQK-HNNXBMFYSA-N	247.426	4.726	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@]12CCC[C@H]1CC2	2260578787	NJCVAMXXIZCIRE-YOEHRIQHSA-N	239.362	4.530	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CCC[C@]2(C)CN)C1	2261295229	GFYXGHCCZFVGSS-MQBCKMQZSA-N	249.442	4.524	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@@]12CCCC[C@@H]1CC2	2298726053	XCTIPPZEADKNIM-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1CCC(CC)CC1	2300683307	IDQSMZZTNDWLJS-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1CCCCCC1)NC	2301236285	LJJOATHVMNLNGS-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCC=C(C)C)CCC1=CCCCC1	2301900060	PFCVLCJTJIKXGX-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)CCCC1=CCCCC1	2302340205	HKHUCSUWSXXBOG-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1C(=O)CC[C@H]1CCCC1=CCCCC1	2302344379	FKTYFZSBKMROOB-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CCc1cscc1NC[C@@]12CCCC[C@@H]1CC2	2302885374	AQZQKXSAGAMBSA-HIFRSBDPSA-N	249.423	4.693	0	10	BJAE	
CCCC[C@](N)(CC)CC[C@@H]1CC[C@H]1C1CC1	2303160582	VWHHUXSVKCKMIH-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@@H](C)C(C)(C)C)CC1	2303526526	SIPNGTHEWHATTO-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
CC1=C(C)C[C@@H](COc2cccc(C)c2)CC1	2303574835	DCWQZMJITJKGAB-HNNXBMFYSA-N	230.351	4.510	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@H]1CCC(C)=C(C)C1	2303603902	XXEGHEMVBQVKJL-BPUTZDHNSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)C1CCC(C)CC1	2307818043	WOEZXKWVQCXWCE-KNIAUWFNSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(F)c1ccc(N)cc1	2307909159	JPNXJXONKFSYHN-DOMZBBRYSA-N	237.362	4.670	0	10	BJAE	
CCCC[C@@]1(C[C@@H]2C[C@H]2C2CCCC2)CCCN1	2311581782	IRCADCQUHFULON-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@]1(C)C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2311609986	XMCULIDBSHLTAC-NZUILWFCSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@@H]1C[C@H]1C1CCCCC1	2312466707	SPFILKBHFLVYHM-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@@H]1C[C@H]1CC(C)C	2312837380	PMJJOKQCDUFEIP-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1C[C@@]12CCCC[C@@H]1CC2	2313347490	SIKMJYSWDCTJIR-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CCC1)[C@]1(C)C=CCC1	2313589786	GXQARPHZBLFRFJ-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CC1)C(N)(C1CCCC1)C1CCCC1	2313611155	AYQQWTIYAPBCSM-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(C(=O)CCC2CCCC2)ccc1C	2314701695	FHRGEWNXPVUEBD-UHFFFAOYSA-N	244.378	4.711	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1(C)CC(C)C1	2315871772	STVAKMCEEGPCDA-UHFFFAOYSA-N	245.410	4.967	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@]2(C)C[C@@H]12	2315883684	QQTPBSFNANJIPF-ZMSDIMECSA-N	243.394	4.719	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)c1cccc(C)c1	2316508128	ATRHAZICHXSTDO-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CCN[C@H](CCC=C(C)CC)c1ccc(C)cc1	2316538343	WGZOLRWDJATXNZ-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@H]1C[C@H]2CCC[C@H]1CC2	2316696809	DHJDWWQRCYNDHS-QSPRXWTASA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316753162	VMGUKXMOYKOCIU-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C)c1nc2ccc(C3CC3)cc2[nH]1	2317128014	XCEXUMMPMCRWRX-NSHDSACASA-N	242.366	4.734	0	10	BJAE	
CN(CCCC1=CCCCC1)CCC1CCCC1	2318570932	ZGUYQTPQUXZIIH-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CC1(C)CC[C@H](CC2(N)CC3(CC(C)(C)C3)C2)C1	2319033429	BLYAJINCYHBUJC-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(CN)CC23CCCCC3)C1	2319071225	HUVNVTKCRAQBMK-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCCC[C@@H]2C[C@H]12	2319329829	SNCNTKQRZNIWCN-PMPSAXMXSA-N	243.394	4.548	0	10	BJAE	
CC1=C(C)C[C@H](CNc2cccc(F)c2C)CC1	2320419739	KKAVGTICBVCNNF-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCC[C@H]2C)c1	21011235	IMFKVWVVPAZCNS-CJNGLKHVSA-N	231.383	4.801	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2C[C@H](C)CC(C)(C)C2)c1	21816867	IXIKOEKEXXVTGE-DZGCQCFKSA-N	245.410	4.930	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccc(F)c(C)c2)cc1	61117585	FDCVBKWWJZVMOP-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CC1=C[C@@H]2[C@H](C(C)C)CC=C(C)[C@@H]2CC1	70454244	QMAYBMKBYCGXDH-SOUVJXGZSA-N	204.357	4.581	0	10	BJAE	biogenic,in-vitro
CCc1ccccc1-c1nc2ccccc2s1	73168975	IRVWRFFPFCHOFF-UHFFFAOYSA-N	239.343	4.526	0	10	BJAE	
Cc1ccc(Cl)c([C@@H](C)c2ccccc2)c1F	75841665	MTWLKEBCLHPCDE-NSHDSACASA-N	248.728	4.939	0	10	BJAE	
CCC[C@H](C)[C@H](N)c1ccc(C)c2ccccc12	79904593	ONUOSVMRFLWBTB-GUYCJALGSA-N	241.378	4.584	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@H](CC)C2)cc1	80428004	VQEDUHICBRJQMZ-XJKSGUPXSA-N	231.383	4.630	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCC[C@H](C2CC2)C1	81629171	UZGLPSOTPBUNNL-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(C(C)C)c1NCCC(C)(C)C	83360397	UAESJRCWHWHSBK-UHFFFAOYSA-N	233.399	4.967	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNc2ccc(Cl)cc2)C1	84340465	UUCJPEIOBWQYJJ-VXGBXAGGSA-N	237.774	4.578	0	10	BJAE	
CSc1ccccc1N[C@@H]1C[C@H](C)CC[C@H]1C	85097262	NLEFBWQSHPWEBR-YRGRVCCFSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@H](C)CC[C@@H]1C)c1ccccc1	85099768	MPJVGXCPNPSNIQ-YALNPMBYSA-N	245.410	4.552	0	10	BJAE	
CCC1CCC([C@@H](CCC(C)(C)C)NC)CC1	87937339	VJTATWPEDJIAHL-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)Nc1nc2ccc(C)cc2s1	91938301	VMCFQGZDMHUIEI-NSHDSACASA-N	248.395	4.595	0	10	BJAE	
CC1([C@H](N)c2ccc(C3CCC3)cc2)CCCC1	128704215	SVMSKKJUBKTOFJ-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@@H](C)CCC(C)C)c1	132433398	ALZBDKGLWVHMKM-JKSUJKDBSA-N	247.426	4.779	0	10	BJAE	
CCc1ccc([C@H](N)CC2CCCCCC2)cc1	161903994	KQCDZNMDTYZDKC-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1(CC)CCCC1	165771963	ZGDCCEHCNQGACA-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1cc(C)c(C)cc1C	168698842	MDKZMBKTTOHDCI-QGZVFWFLSA-N	247.426	4.828	0	10	BJAE	
Cc1c(C(C)(C)C)[nH]c2c(C)cc(Cl)cc12	201427283	RJDCZXKXYQPGAH-UHFFFAOYSA-N	235.758	4.736	0	10	BJAE	
CCC[C@H](NCC)[C@@H]1CCC[C@@H](CCC)CC1	219277697	QBAQXVPITODUAQ-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](N[C@H]1CC[C@@H](C)[C@@H]1C)c1ccccc1	225067782	UIKQWHSGHVLMLP-YQFWSFKMSA-N	245.410	4.552	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCC[C@@H](C)CC1	226495674	WSNHXFFBHFDDHD-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
Cc1cc([C@H](C)N[C@H]2CCC[C@@H](C)CC2)c(C)o1	226501311	XBUPEJYHFUYOEI-ZLDLUXBVSA-N	249.398	4.516	0	10	BJAE	
C[C@H](C(=O)c1ccccc1)C1C[C@H](C)C[C@@H](C)C1	229070015	WYCTYZQCGROBQE-MCIONIFRSA-N	244.378	4.578	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@H](Nc2cccc(F)c2)C1	230765462	JTSOUKYTOCDLGI-UKRRQHHQSA-N	249.373	4.843	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](O)CC2CCC2)cc1	232167415	DBSSTVCORDULJT-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CCC[C@@H](C)C2)c1	232230659	IHPBSOUNSRVZLG-PWSUYJOCSA-N	237.774	4.639	0	10	BJAE	
CC[C@H](C)c1ccc2oc(C(=O)C3CC3)cc2c1	232359318	WXDZTGDGTRJYKX-JTQLQIEISA-N	242.318	4.539	0	10	BJAE	
CC1([C@@H]2CNc3c(Cl)cccc32)CCCCC1	232911170	JWSZIBUBAVWWTQ-GFCCVEGCSA-N	249.785	4.820	0	10	BJAE	
CCCCC[C@@H](C)NCC1(CC)CCCC1	232956502	DUTBIAZDJFGKGI-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](C)C1(CNCC(C)C)CCCCC1	233327429	GZPGIUVOCHTRML-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2cccc3c2CCCN3)C1	233964647	RAUDYQNPONNSSR-KGLIPLIRSA-N	243.394	4.729	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)[C@H]1CCCC[C@@H]1CC	250418390	LIKUGBCDHYUHSV-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1NC1CCCCCCC1	252086071	CVBCSYZRBRFIBP-FOLVSLTJSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@H]1C(C)(C)C)C(C)C	252427176	XTCBMOMMTCNURE-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CCC2CCCC2)C1	305907276	DGQPUNJEFUQKDP-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC(C)CCCCNCC1CCCCCCC1	305962895	XFJBUPJUJDPZEZ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)C1CCC(C)CC1	308014969	FCGNHSXGBQZODE-CKUJCDMFSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CNC(C)(C)C)CC1CCC(C)CC1	310103543	CFOWQMZMYLNSTK-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC)c1ccc(C2=CCCCC2)cc1	310613771	DAZBVSFYSWOIBY-QGZVFWFLSA-N	243.394	4.705	0	10	BJAE	
CC(C)(C)CCC[C@]1(CNC2CC2)CC=CCC1	318938538	PYPBLLPPBGCNPO-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)C1(CC(C)C)CCCC1	320110126	RDZVWZAPAMCATN-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1)[C@H](C)[C@H](C)CC	320160711	XVRZQJHVVXXDSV-INMHGKMJSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H]1CC[C@H](O)[C@H](CCCCCC(C)C)C1	383185787	VRWNKTDBAZKVMA-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCCNCC/C=C/CCCCCC(C)C	383388205	OCWDODOHNPOBFB-VQHVLOKHSA-N	225.420	4.539	0	10	BJAE	
CC[C@H](N[C@@H](C)CC(C)(C)C)c1cccc(C)c1	384446057	HXBYRAUYNJRACQ-HOCLYGCPSA-N	247.426	4.860	0	10	BJAE	
Cc1ccc2c(ccn2C[C@@H](C)c2ccccc2)c1	384671233	XZNNFSZQNCNHTL-OAHLLOKOSA-N	249.357	4.753	0	10	BJAE	
CCCCC[C@@H](C[C@@H](C)c1ccccc1)NCC	385229803	UFGORBUOFVGAEI-WBVHZDCISA-N	247.426	4.739	0	10	BJAE	
CC(C)(C)CCCNc1ccc(C(F)F)cc1	386346450	TVNSOENSPUCDFE-UHFFFAOYSA-N	241.325	4.862	0	10	BJAE	
CC(C)C(C)(C)CN[C@H]1C[C@@H](C)c2ccccc21	386396150	WBZWAOYXUBUIPE-CJNGLKHVSA-N	245.410	4.507	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@@H](C)C(C)(C)C	386585728	IISSGSSHYCUTCU-CZUORRHYSA-N	247.426	4.882	0	10	BJAE	
Clc1sccc1NCCC1=CCCCC1	387551557	UGWJSYYWPZGJGJ-UHFFFAOYSA-N	241.787	4.704	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@H]1CC[C@H](CC)CC1	392971358	VGRPWJKNWQCPJZ-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
C1CCCC(NCC[C@H]2C[C@H]3CC[C@H]2C3)CCC1	394226067	WBQKEDVOWJSZEE-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCOc1c(CC)c(Cl)cc2ccsc12	396186561	GNZLMZICXAGUJO-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1cc(CC)c2scc(Cl)c2c1	396194777	VGMQPRXBUYSKFY-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@H]1CC12CCCCC2	401543637	OEFSAQRVXXYIOQ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@](C)(CCC(C)(C)C1CC1)CNC(C)C	406022990	HYULWRSMVAQHAM-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc([C@@H](N)CC(C)(C)C2CC2)c1	688951496	QXAAQKZBWFHLAQ-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
Cc1cc([C@@H](C)N[C@@H](C)CC2CCCC2)c(C)o1	689757922	GNLASEJSDZBJRL-WCQYABFASA-N	249.398	4.516	0	10	BJAE	
C[C@@H](CC1CCCC1)Nc1ccsc1Cl	689791985	QQJKUKNHFKUQPH-VIFPVBQESA-N	243.803	4.782	0	10	BJAE	
CC1(C)CC[C@@H](Nc2ccc(C3CC3)cc2)C1	690078500	HRVNYPSAMIXJMO-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
CCc1cc(N[C@H](CC)c2ccco2)ccc1F	690101454	ALOZTAMDZCHCQG-CQSZACIVSA-N	247.313	4.544	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCCCCC(C)C	691099946	LFFIQHNNTSDZHL-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(N[C@H]2CCCCC[C@@H]2C)cc1C	691139595	OZXLKNIDWGHZGP-GUYCJALGSA-N	245.410	4.938	0	10	BJAE	
C[C@@H](C(=O)c1ccc2sccc2c1)C(C)(C)C	691864462	ICLDVZJQNYVLGT-JTQLQIEISA-N	246.375	4.766	0	10	BJAE	
CC1CCC(CCN[C@H]2CCC23CCCC3)CC1	694330816	MRYYKSVBRHQQPM-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](N[C@H](C)CC1CCCCC1)c1ccco1	694623949	ZKCOZCSIJTVQIF-UKRRQHHQSA-N	249.398	4.679	0	10	BJAE	
CCC(C)(C)[C@H](N)C(CC)(CC)c1ccccc1	701155855	XCNOYRRPVXDVGK-HNNXBMFYSA-N	247.426	4.508	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@@H](C)CC(C)(C)C)cc1	704727125	FKZFQJLFHBNCOO-XJKSGUPXSA-N	247.426	4.882	0	10	BJAE	
CCC[C@@H](C)C[C@](N)(CCC)C1CCCC1	704952420	RCBJYNUVBWGKLG-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)[C@@]12CCCC[C@@H]1C2	709132556	PZXVNQHRUNVWDP-IOASZLSFSA-N	247.357	4.515	0	10	BJAE	
CCCNC([C@H](C)CC(C)C)[C@H](C)CC(C)C	709178369	ROQLIHHSBFUTEI-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC/C=C\c1ccccc1	710242076	CLVDVLXUPBHRJP-IYCSXQJISA-N	245.410	4.634	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)CCC(C)(C)CC	711281200	YLKPPKWEIKMWFV-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC(C)(C)C(C)C)C(C)C	713143812	WVIZJVFKRSQMNB-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCC(CC)(c1ccccc1)[C@@H](O)CC(C)(C)C	713171012	UMIHIRHKMUJOST-HNNXBMFYSA-N	248.410	4.542	0	10	BJAE	
CCC(C)(C)C[C@](C)(N)CC1CCCCC1	713266005	RXEAUWPALDUVML-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)C(C)(C)C1CCC1	713666213	FPCWTSDJLZZZMQ-KXPUMZMLSA-N	249.442	4.703	0	10	BJAE	
C=C/C=C\CCc1c(C)ccc(C(C)(C)C)c1O	713689426	ZVZNGPMSZIRLKW-FPLPWBNLSA-N	244.378	4.673	0	10	BJAE	
C=C/C=C\CC[C@@H](NCC)C1CCC(C)(C)CC1	713740087	NRDQTHZYWBZMBU-XITLMJRVSA-N	249.442	4.703	0	10	BJAE	
C/C=C/C[C@@H](C)c1cccc(Br)c1	714532795	BMTRADOWNADJNR-HMDXOVGESA-N	239.156	4.519	0	10	BJAE	
CC(C)CNCC1(C2CCCC2)CCC=CCC1	718050357	FBTCDHHKTMCEDQ-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCCCCC1(C)C	719262725	VVOOQRRYMQAHPS-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CCCC[C@H](C)C(=O)c1c(C)sc(C)c1C	722492293	KYNZCGBPCSAEJV-VIFPVBQESA-N	238.396	4.682	0	10	BJAE	
Cc1sccc1-c1cccc(OC2CCC2)c1	1240502327	TZIUENWNSVOAGP-UHFFFAOYSA-N	244.359	4.655	0	10	BJAE	
CC(C)[C@@H](C)S[C@H](C)c1cccs1	1307306798	DAYRHAGYECQVSB-NXEZZACHSA-N	214.399	4.587	0	10	BJAE	
C[C@@H](CC1CCC1)NCC1(C)CCC2(CC1)CC2	1875732411	UEQSMEGXZDODER-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCCC[C@@H]1CCCC[C@H]1N	1902107862	CMYBTFGNFJXCEH-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCc1cscc1N[C@@H]1CCC[C@H](CC)C1	1902380607	DQSMLKXZIHBKRZ-WCQYABFASA-N	237.412	4.691	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)CCCCC1CC1	1905394194	WQIPGZOXPPRZRB-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1ccccc1C(C)C	1910736263	QIXQHTPBSRUCLZ-KGLIPLIRSA-N	231.383	4.658	0	10	BJAE	
CC(C)(C)NC[C@H]1C[C@]12CCC1(CCCCC1)C2	1915904732	IAPXNNNBZNADAV-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc([C@](O)(CC)[C@@H](C)CC(C)C)cc1	1919609993	BKLCIAQQHMLIJX-YOEHRIQHSA-N	248.410	4.529	0	10	BJAE	
CCc1ccc([C@](O)(CC)CCCC(C)C)cc1	1919610256	FMNYXWJLTDHGPB-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@@H]1CC[C@H](C)[C@H](C)C1	1919960453	OLKQAPBKPDCCBN-AALSBFMBSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@](C)(O)CC(C)(C)CC	1919972874	FHOYXYUDIUBEEB-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
Clc1ccccc1NC1C[C@H]2CCC[C@H](C1)C2	1923467976	YSTDVFOVIJKQEN-RYUDHWBXSA-N	249.785	4.721	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)[C@@H](C)C1CCCC1	1924077663	GLFRICSMZCZGGX-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@H](N)[C@@H](C)C2CCCCC2)c(C)c1	1924135240	JAXPYZSUFFCFOM-WMLDXEAASA-N	245.410	4.520	0	10	BJAE	
CCCC[C@H](CC)CNC[C@H]1C=CCCCC1	1925920949	MCIACESJSSIKKE-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC1(C[C@]2(C(C)(C)C)CCCN2)CCCCC1	1940407027	HRMDNAZYOWPRTI-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC1(CCCC2(CNC(C)(C)C)CCC2)CC1	1940870636	VQTBYVAYZSIGIG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)CCCCCC1CC1	1941598656	YVXQJNGISRXOBM-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCCCC(C)C)C(C)(C)C(C)C	1944670973	GMWYPEBOEGUAOC-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)CC1CCCC1	1947465512	VPSCBQAOFQBEPL-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(N[C@H]2CCCC23CC3)c(C)cc1Cl	1948809432	MASNBFYZPQQOAU-AWEZNQCLSA-N	249.785	4.701	0	10	BJAE	
CC1([C@@H](N)CCC2CCCC2)CCCCCC1	1948983709	GMCBFXMIMJJOLU-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@@H](N)CC1CCCC1	1949861105	BXEDJYCDYXYFQP-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCC1(N)C[C@H]2CCC[C@@H]2C1	1950312238	ZFNVJZLEHFASPX-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H](C)C2CCC2)CC1	1950925001	PMAPTNLMGPXAIX-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CC[C@H](C(C)C)C1	1963153418	HNYSGFUMVDCUKB-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CN[C@H]2CCCC23CCCC3)C1	1967717023	RCOUTFLOQKZXRJ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCC(Nc2ccccc2)CC1	1968246028	OWTHCWPIUPMWDI-UHFFFAOYSA-N	231.383	4.848	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCC(C)C	1968598395	XNLPWQKGGAHEGD-UHFFFAOYSA-N	219.372	4.576	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1CC2(CCCCC2)C1	1968859476	OLCLUOLAHANXAD-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](NC1CC2(CCCCC2)C1)C1CCCC1	1970931497	HNQUGWSHURRTAE-MRXNPFEDSA-N	249.442	4.658	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)c1ccc(CC)cc1	1973168070	CIFGGEGKGFGRDI-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
CCC/C=C/CNc1cc(C)c(F)cc1Cl	1975485763	SIZSDFFYJYPORG-AATRIKPKSA-N	241.737	4.556	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1C=CCCC1	1977152500	FZBPKPZANCQCON-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
CCC1(C)CC(Nc2cc(C)ccc2Cl)C1	1984403172	ITRZPADGYLVYQW-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CCCC(=O)CC[C@H]1CC[C@H](CCC)CC1	1989837208	PVOKCLLZLDOCBC-HDJSIYSDSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@@H](N)C[C@H]1CCCC(C)(C)C1	1994026839	UOFFIKPIPYFKIG-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](Nc2ccc(Cl)cc2)C1	1994914595	OCIKLFGAQPIGEA-BXUZGUMPSA-N	237.774	4.577	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CCCC(C)C	1995254300	QFHHQKQAOISSMR-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
Cc1ccc2occ(C3CCCCC3)c2c1	1995498503	PKLRYXWMHHONDD-UHFFFAOYSA-N	214.308	4.789	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H]1CCC[C@H](C)CC1	1997209329	VYTCFEHRUNSFCJ-GOEBONIOSA-N	237.431	4.633	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)C1CC=CC1	1997549505	BCDKVSLMBSEGCN-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(NC2[C@H]3CCC[C@H]2CC3)c1Cl	1997558303	LVNGZFLDKGWRKV-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)[C@]2(C)CC=CCC2)c1	1997604948	SOZLDMGMRRJYNK-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
CC(C)=C(C)CCC1(N)CC(C)(C)C(C)(C)C1	1997768335	VEYMVLWDNDCVJY-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)C[C@H]1CCC=CCCC1	1999995822	JDUUWDYFUKTOAA-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(C)CC[C@]1(CN)CCCC(C)(C)C1	2002985895	RWHWLHQSBWCLQA-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)[C@@H]1CCC[C@H](C)C1	2003026899	JBKHRIPRGXJYTD-JJXSEGSLSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@H](C)CNC1CCCCCCCC1	2003076130	ZKWUWZSEGLWAKX-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H]1CC[C@H](CNC(C)(C)C)CC1	2003108472	MLXSEAXDGKZXPE-SHTZXODSSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H]1CCCCCCC[C@@H]1O	2003112331	SYLAVQDBSHLBBQ-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
O=C1CCCCCC[C@H]1[C@H]1C=CCCCCC1	2003116879	LRUGWDRWRGDRAE-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)CCC[C@H](N)c1ccccc1C	2003643115	OTQWWHKTLQXDAB-HNNXBMFYSA-N	233.399	4.601	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCC(C)=C1C	2006973487	WTOVGXHKIBHSJT-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)C1(C)CCC(C)(C)CC1	2007697951	QYPAPRNHRYKQSS-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H]1CCC[C@@H](C)CC1	2007865175	YIBHQAOGNRNPEZ-BMFZPTHFSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](N)c1ccccc1C(C)C	2009566528	FNWSZICBFCAQNG-INIZCTEOSA-N	231.383	4.556	0	10	BJAE	
CC=CCCC[C@]1(N)CCCC12CCCCC2	2009575552	FNHDZLBYOBBNMZ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@](CC)(CN)CC[C@]12CCC[C@H]1C2	2011022529	CXSGEQKRJHDRRO-JYJNAYRXSA-N	237.431	4.502	0	10	BJAE	
CCC(C)(C)CCC(=O)C1C[C@@H]2CCC[C@H]2C1	2011994884	FVVAPVJCPRELRD-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC12CCC(CC1)CC2	2012809688	HLNYNZAMHLBGER-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(CCCCCC1CC1)CCC(C)C	2013271830	WBMQLHYJAGWZKB-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCCC(C)(C)N[C@H](C)[C@@]12CCCC[C@@H]1C2	2013529338	WECGRLZQQOHPME-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CCC1(C)C	2014851406	CSQSUNSUBVQORD-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H](C)CC1(O)CCC(C(C)(C)C)CC1	2015284487	OBJDHQUQUNTHGA-HLIUYOAVSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCC(C(C)C)C(C)C)[C@H](C)CC	2015359168	VQBWKDGXKYEVQG-GDBMZVCRSA-N	241.463	4.719	0	10	BJAE	
CCCN(CCC(C(C)C)C(C)C)C(C)(C)C	2015390222	IZMWDCQXUJETPG-UHFFFAOYSA-N	241.463	4.815	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(N)CCC[C@@H](C(C)C)CC1	2015394273	MLSNEMCZTGBHHY-OAGGEKHMSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC([C@@](C)(N)C[C@@H](C)C(C)C)CC1	2015395740	AYZGOUKDRQPCQO-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CC(C)CNC[C@@H](CC(C)C)C[C@H](C)C(C)C	2015403129	XPMFKVSQWLHSGB-HOTGVXAUSA-N	241.463	4.577	0	10	BJAE	
CCCC1(C[C@]2(O)CCC[C@@H](C)[C@H]2C)CCC1	2015640921	YEOJQXSLPRDIKP-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CC[C@H](CC)C2)CCC1	2015643527	CWXPMCBNKDGGDL-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CCC(N)(CC(C)=C(C)C)CC1	2017460901	BVVDOQUJUSBXJE-UHFFFAOYSA-N	237.431	4.811	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(O)CCC[C@@H](C)C2)CC1	2017653556	UVRXUAWLXDPZJP-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](NC)[C@H]1CC[C@H](CCC)CC1	2017655063	JXDZVTXNPXCAAX-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC1CC(C(C)(C)C)C1	2017702221	LNHLBUVUQZMYER-SEEARECTSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCC(C)(C)C2)CC1	2017731401	RASQMMWNYRGTCF-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC[C@H](C)N2)CC1	2017732891	FYSATZDPVDZOMN-LBDPXKHJSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@]2(C)C[C@H]2C)CC1	2017777630	HGHFBOIHADNGLT-KQTLUZQSSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1CCC(F)(F)C1	2018131786	QCIFJHBTNWAKKD-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CCC(F)(F)C1	2018131788	QCIFJHBTNWAKKD-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@H](CC)N(C)CC1(F)CCCCC1	2018183957	DBYLPNZKICBDKO-AWEZNQCLSA-N	243.410	4.559	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@]12CCCC[C@H]1C2	2018576307	ZJMZSDONEGGBHX-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@H](CC)C(C)C	2018989839	INYYKURLPCDFEC-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)N(C)C1CCC(C(C)(C)C)CC1	2019403173	LONDAVDPTWYBCN-WLYUNCDWSA-N	239.447	4.568	0	10	BJAE	
CC(C)c1ccc(O[C@@H]2C=CCCCC2)cc1	2019540083	AQOKGPRNIDHIQD-OAHLLOKOSA-N	230.351	4.688	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1(C(C)C)CCC1	2020973411	FGTZYVFFOXCKJE-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1ccccc1C1CCC1	2021027048	NRQBBAYNJDIYND-SWLSCSKDSA-N	229.367	4.555	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)C(C)(C)C(C)(C)C	2022557165	MBBHZMFLQBPDQF-VXGBXAGGSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](CC)N(C)C[C@H]1CCCC(C)(C)C1	2024104720	XEJNEGXVSCIXAD-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCCC1(C[C@]2(N)CC(C)(C)C2(C)C)CCC1	2025003751	LFCFFGAFZOOILM-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC1(CC(=O)CCc2ccccc2)CCCCC1	2027275122	HREPAOFHODZBNU-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@H]1CCCC1(C)CC1	2027835876	FPIUICJBEUJUAX-HIFRSBDPSA-N	243.394	4.630	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)c1cccc(C(C)C)c1	2028256723	BTFOZVUUMKZKNQ-SJORKVTESA-N	247.426	4.882	0	10	BJAE	
CCN[C@H](CC(C)(C)C)c1cccc(C2CC2)c1	2028548714	GHXGRMXXNBYFMH-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC(C)Cc1ccccc1[C@@H](O)[C@H](C)CC(C)C	2028919018	PDYZWIJICARJAJ-PBHICJAKSA-N	248.410	4.601	0	10	BJAE	
CCN[C@@H](c1ccccc1)C(C)(C)C1CCCC1	2032345646	FWQLYKZGKYGLAI-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1CCC[C@H]1C	2032477458	BYNZVNONUWUBCB-CZUORRHYSA-N	246.394	4.933	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@@H]2CC[C@H](C)C2)cc1	2033401336	IQHUIMDEIVIVOM-HEHGZKQESA-N	244.378	4.819	0	10	BJAE	
CC1(CCN[C@H]2C[C@@H]3CCCC[C@@H]3C2)CCCC1	2034145801	MICJOBBVHSEEAR-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@H]2C=CCCC2)CCCC1	2035575220	FWAKJQIRNGAXSL-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
C1CCC(CCCNC[C@@H]2CC23CCCC3)CC1	2036128908	OCBDIPXDZBNQDQ-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@H](CC[C@H](C)c1ccccc1)NCC	2036497812	UWGKTGIRDWPQMG-DOTOQJQBSA-N	247.426	4.739	0	10	BJAE	
N[C@@]1(C[C@@H]2C=CCCC2)CCCCC12CCCC2	2037304658	GUGLXCUOBWRTHE-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
C[C@H](c1ccc(N)cc1)[C@@H]1CCC2(CCCC2)C1	2037695104	QEMMLIFMQKTBHC-UKRRQHHQSA-N	243.394	4.733	0	10	BJAE	
CCCN[C@H]1C[C@H](CC2CC=CC2)CCC1(C)C	2037873001	YQVAYMLEKJLOHD-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc2c1ccn2CC1CC2(CCC2)C1	2038079217	SOLPSIMMNYQJGN-UHFFFAOYSA-N	239.362	4.530	0	10	BJAE	
CC1(C)C[C@H]1CCCC[C@@](C)(O)c1ccccc1	2038171965	VUUGSHGASLTQME-NVXWUHKLSA-N	246.394	4.501	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC2(CC2)C1)C1CCCCC1	2038571210	INSRTNQGQFIIOL-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC1(N)CC2(CCC(C)(C)CC2)C1	2038895113	LUISRTAYMGWBAJ-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](N)[C@H]2CCCC(C)(C)CC2)c1	2039378883	WWXLVHUVKYBAAO-GOEBONIOSA-N	245.410	4.601	0	10	BJAE	
C=CC=CCCN[C@@H]1CCCC2(CCCCC2)C1	2040767504	SJBVQOUUWPOSEJ-MRXNPFEDSA-N	247.426	4.601	0	10	BJAE	
CCCN[C@H]([C@@H]1C=CCCC1)[C@H]1CCCC[C@H]1C	2043187411	LIHKVOXSNKGIFD-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)CC1=CCCCC1	2043188122	RCHSCMWOIBMNQS-USXIJHARSA-N	249.442	4.824	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C[C@@H]1CC[C@H]2C[C@H]12	2045314814	NRINHVLMZDARRT-WBTNSWJXSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2CC3CCC2CC3)C1	2045459952	JQCRKXQCUGAOMN-PFSRBDOWSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)[C@@H]1CCCC(C)(C)C1	2045537698	CPMIPGUJLXCUFH-ZJIFWQFVSA-N	249.442	4.523	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@H]1C[C@H]2C[C@H]2C1	2045846431	VEIMCFWHMXHXCU-FPCVCCKLSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(N)(CC2[C@@H]3CCCCC[C@@H]23)CC1	2048445881	DHFRQPLUJKQWIV-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)C[C@H]2CC3CCC2CC3)CCCC1	2049788351	JYEUDUFCAQIGEG-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049867869	XYSSAVTYLOOYNM-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)([C@H](N)C[C@H]2CCCC3(CC3)C2)C1	2049867872	XYSSAVTYLOOYNM-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@]1(CNC2CC2)CCCCC12CC2	2053355802	JUTMTDWLEKJRNW-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(CC2(N)CCC(C3CCC3)CC2)C1	2056644986	HWEGIBYLWBLTRX-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C[C@H](N)C2(C3CC3)CCCC2)CC1	2057607916	AVHUKBVPEAYZFZ-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CC(NC[C@@H]2CC(C)=C[C@@H](C)C2)C1	2058865271	KPNCBWHCDMCFSJ-HIFRSBDPSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](C)CC[C@@H]1CNC1CC1	2059247816	VOCHWSQOSBRZKY-ZZFUDSBHSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCC	2059253273	PFWGTOKWHZPHIJ-HZZZJLPRSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H]1NCc2cc(C(C)C)ccc2[C@H]1C	2059469356	IVLBRKGWURYVEK-CXAGYDPISA-N	245.410	4.576	0	10	BJAE	
N[C@H](CC1CCCCC1)CC1CC(=C2CCC2)C1	2061728282	IJOZQXKPTLQBFI-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
N[C@@]1(C2=CCCCCCC2)CCCCCC12CC2	2062022234	BUWSNTZIEKASGX-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1F)c1occc1C	2063670845	GSIKRFWYVBJHIN-LBPRGKRZSA-N	247.313	4.599	0	10	BJAE	
C1CCCC(CNC23CCCC2CCC3)CCC1	2063902785	JOKRRTMKMNRHEX-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(N)(C1CCCC1)C1CCCC1	2065935030	PAMMRPKHFZXZCW-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
NC(C1=CCCCC1)(C1CCCC1)C1CCCC1	2065937431	MIWVJJDGMJUNCY-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC1([C@H](N)C[C@H]2CC23CCC3)CCCCCCC1	2069201235	FEMCJTJKVXUBLF-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC1(C(=O)CC2CC(=C3CCC3)C2)CC1	2069508456	AJHPWONAXKEZJH-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCCC1(CNCC2(CC3CCC3)CC2)CCC1	2069564593	VBSVVLAFLASWLX-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@@H](C)C2CC=CC2)CC1	2070798319	ZXJUVLNSDUAPQP-FSOQPWQOSA-N	249.442	4.536	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](C[C@H]1CCC=CCCC1)NC	2071509447	BQSMSANXZRWBMV-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1(CC2(C(C)C)CCC2)CC=CC1	2071941007	OSLCYAAFPMHJDA-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNC(C)C)CCCC12CC2	2072411884	VMBHQKUCRSHACU-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](NC)C2(C)CC=CC2)CC1	2072790534	HEBDDDAHQQZLMD-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2ccc(F)cc2C)CC1	2072794279	SBZCDRVOODXKEN-HDJSIYSDSA-N	249.373	4.762	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)[C@@]23CCC[C@H]2C3)CC1	2072799147	PNTMAHJZZVBKDA-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2072878218	JYQVBFJTRAAQLQ-JHJNDJDLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)[C@@H]1CCCC2(CC2)C1	2073796493	ZBWSKDRCZYFBQP-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCN(C[C@@H]1CCC[C@@H](C)C1)c1ccc(C)cc1	2074855731	CBMOCOYVKGEJSF-HZPDHXFCSA-N	245.410	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCC23CCC(C)CC3)C1	2074893266	SOKFMERGAHJUDR-JCCCHCCOSA-N	249.442	4.610	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCCC[C@@H]1c1ccco1	2075233573	OECFBNIWHFQWMB-HUUCEWRRSA-N	249.398	4.631	0	10	BJAE	
CCN[C@H](CC[C@H](C)C1CCC1)c1ccccc1	2075817704	NJTFWSYNFNEDNS-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCC[C@H](CC2CCC3(CC2)CC3)[C@@H]1N	2076396400	UDQQBSCWOBJTQK-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@](C)(CCC2CCC3(CC2)CC3)CN1	2078857666	NWDXIOHXVIIOMX-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1NC1CCC2(CCCC2)CC1	2079529543	MCPYNHAUHADFFC-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@@H]1C[C@H]1C1CCCC1	2079861884	HHZJIPDVGOGHCG-WBVHZDCISA-N	246.394	4.662	0	10	BJAE	
CCN(C[C@@H]1C[C@H]1C(C)(C)C)c1ccccc1C	2080083815	SGLZFECHOZHLCO-LSDHHAIUSA-N	245.410	4.504	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)[C@H](C)c2ccccc2)[C@@H]1C	2081137411	PJJDSINTRWOKDV-ANQUJSFKSA-N	245.410	4.504	0	10	BJAE	
CC(=C[C@@H]1CCCC(C)(C)C1)C[C@@H]1CCCCN1	2082979892	RBNXFSBECUXKJM-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H]1C[C@H]2CCC[C@H]1C2	2086160429	UTTBPZQXUYKNCS-NUTKFTJISA-N	241.378	4.555	0	10	BJAE	
CCC[C@@H](C)C(=O)CCCCCCC1CC1	2210528407	DWBNYKFHVRLOIW-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CCCCC1CC1	2211122429	VSFSLHNOGNNWDM-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CCn1ccc2cccc(F)c21	2214769337	NMYCTBWXQGZGQR-UHFFFAOYSA-N	233.330	4.607	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CC1(C)CC(C)(C)C1	2215382757	HCHDEGBDHQYPAV-XJKSGUPXSA-N	240.431	4.636	0	10	BJAE	
CC1=CC[C@@H](CN[C@@H](C)CCC(C)(C)C)CC1	2215834648	PHQUOSQTYZDOPT-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](O)(CCCCC(F)F)C1CCCCC1	2216458397	RUAFUSFUANPZFH-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CC(C)(C(=O)CCCCC(F)F)C1CCCC1	2216501384	IRWITWRSOZSQFB-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](N)CCCCCCCC1CC1	2216880011	PQWRHQMPDGPHCT-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC[C@](C)(CCCCCCCC1CC1)C(=O)O	2216880072	QHZVQLCLFQJHBA-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CC(C)(C)C[C@@H](O)CCCCCCCC1CC1	2216907709	ZTSLXKDCVDQWLO-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)NC[C@H]([C@@H](C)CC(C)C)C(C)(C)C	2217158579	DCFBTJOJONBYRL-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H](C)C1CC=CC1	2217243275	WSIHGTTVGFJZDG-NSHDSACASA-N	249.785	4.669	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@H]1CC[C@H]1C	2220525501	GNQJAKCNEXVOMY-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)C(C1CCC1)C1CCC1	2220964020	VVCUJLQQSJUQPK-WFASDCNBSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2(C)CC3(CCC3)C2)C1	2221002196	KBFXXZOQMPQAOT-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C2(C)CC3(CCC3)C2)C1	2221006208	KJAJHHPRZAIWIF-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1OCC1(C)CC(C)(C)C1	2221075282	DKCCVABEHQNIIZ-UHFFFAOYSA-N	246.394	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@]2(C)CC=C(C)CC2)C1	2221632273	PVTBLHCXCVIJHD-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
CC1=CC[C@](CNC(C)(C)C)([C@@H]2CC2(C)C)CC1	2221656255	XSVDTJVFUGGPIC-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](CN)(C[C@H]2CCCC(C)(C)C2)CC1	2221665147	FAIDKYMHSDXJAW-DOTOQJQBSA-N	249.442	4.668	0	10	BJAE	
N[C@H]1CCCCCC1=CCCCCCCC1CC1	2223127732	VTFRQRTYKZZJOE-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC2CCC2)CC12CCCC2	2223605132	VCRMLHGBUHRLKO-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC=C(CC)[C@H](NC)c1ccc(C2CCC2)cc1	2223705360	XNNNJTRNTTXRDT-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)CCCC2CCC2)cc1	2223963773	MIBOEXHQEJFIHV-AWEZNQCLSA-N	244.378	4.638	0	10	BJAE	
CCC[C@](O)(CC)CC[C@@H]1CCC[C@@H](C)C1	2242790276	IRKGJVSIVCCHLE-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1csc(C(F)F)c1	2244767833	PTMUWBVHEVNPIA-LDYMZIIASA-N	247.354	4.512	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CCCCCC(C)C	2244775299	MLWXYVFGZFGJPV-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
CC(=O)[C@H](CC[C@H]1CCCCC12CC2)C(C)C	2246636096	CQNSYOORJGNOEL-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CC(C)NCC(C)(C)CC[C@@H]1CCC[C@H](C)C1	2246663993	HHCBQCHUVNCDQX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CC1CC2(CCCC2)C1	2246815448	QGVVVIYJHVQWAE-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](C)NC1CC2(CC(C)C2)C1	2246849185	BNILRWYUIYBQJX-PYEOEOCKSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CCCCC[C@H]1C[C@@H]1C)C(C)(C)C	2247112355	LBZAPQDPUOTONG-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC[C@H]1CCCC12CC2	2247618556	GCXRKVXLVLUHJT-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC[C@H]1CCCC12CC2	2247636477	LWWSWWSDTRHTRR-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2250351756	GIEBADNUAWCSAB-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C1CC(C)(C)C1)[C@H](CC)CCC	2250356880	GHXSNEPJUIOXBB-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1CC2(CCCC2)C1	2250358933	BHVYHWGRRRNZGD-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@]12CCC[C@H]1CC2	2251118422	NDVXPNSIHSGZPP-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)Nc1cccc(C2CCCC2)c1	2251243019	KKQKIBOXCNSLQV-UHFFFAOYSA-N	231.383	4.945	0	10	BJAE	
FCc1ccc(NCC2CC3(CCCC3)C2)cc1	2254077250	AWKQKBVKEDHMAQ-UHFFFAOYSA-N	247.357	4.538	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@]1(C2CC2)CCCCCN1	2254512287	OBGPUHRJTWJOCY-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCN(CCCC[C@H]1C[C@@H]1C)c1ccc(C)cc1	2254588968	UFERRPVYGOSNEM-HOTGVXAUSA-N	245.410	4.648	0	10	BJAE	
CC(C)NC[C@@]1(C[C@@H]2CCC2(C)C)CC=CCC1	2254829965	GKNKBMPPYOHAQV-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](C[C@H]2CCC23CCC3)NC)CCC1	2254836604	XHBZMYJHQQPOHL-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@H](CC2=CCCCC2)C1	2255140354	LCIBSGJYKFGZRQ-OIISXLGYSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@H]2CCCC23CC3)[C@H]1N	2255263953	MUNHMXCXOGORPO-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC(C)(C[C@@H](N)CC[C@H]1CCCC12CC2)C1CC1	2255291788	RVYAEYMSHPEHTA-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@@H](O)CCC(C)(C)CC)cc1	2256318106	QBAXANDWOKOWNJ-INIZCTEOSA-N	248.410	4.889	0	10	BJAE	
CC(C)=C(C)CCOc1cccc2c1CCCC2	2257479308	XADKSTWFJASFFC-UHFFFAOYSA-N	244.378	4.691	0	10	BJAE	
FC1CCC(Nc2ccc(C3CCC3)cc2)CC1	2259204575	KDVOIUNBOVDDSJ-UHFFFAOYSA-N	247.357	4.647	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@@]12CCCC[C@H]1CC2	2260495798	ZQMUQIGNCFXPQL-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C[C@H](N)C[C@@]12CCCC[C@H]1CC2)C1CC1	2260583236	NRZHQLNOHBBLEU-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)C[C@@]12CCCC[C@H]1CC2	2260601422	IGNKUOFZBMBRMD-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C(=O)C[C@@]12CCCC[C@@H]1CC2)C(C)(C)C	2298720602	GWBFYVZSFZRZRY-ZENOOKHLSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCCCCC2(C)C)C1	2298882365	VHHFNTRXJCKPFZ-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CC[C@H](C(C)C)C1	2300689600	ZTPILJGZXQGAOL-JKSUJKDBSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H]2CCCC[C@H]2C1=O	2300702085	VUJTZSOCWUXCAV-RRFJBIMHSA-N	236.399	4.598	0	10	BJAE	
CC=CC[C@H](C[C@@H](CC)C(C)(C)C)NCCC	2300876708	JDULCPRDSFDNBI-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CC(=CCC1(N)CCCCC1)CCCC(C)C	2300887482	DBBQYTHRVNCPEL-UHFFFAOYSA-N	237.431	4.811	0	10	BJAE	
CC(=CCCCNCC(C)C)CCCC(C)C	2300917161	WGZRTYKNJMEWDZ-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CC(=CC[C@H](O)CCC(C)C)CCCC(C)C	2300933980	IAQQUWZTBUBSEZ-MRXNPFEDSA-N	240.431	4.946	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(O)[C@@H](C)C[C@H]1C	2300974074	JKRCKTUTBZEJQW-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H](C)[C@H](C)C(C)C)c1	2301831122	BPUGNRUWAGOQNU-KGLIPLIRSA-N	229.367	4.803	0	10	BJAE	
CCc1ccc(N[C@@H](C)[C@H](C)C(C)C)cc1C	2301963006	XYPBTVBVOYMXHR-KGLIPLIRSA-N	233.399	4.650	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CCCC1=CCCCC1	2302330512	CHFIWPGCUGJHBP-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)CC2CCCC2)C1	2302749543	YUGPZFUCPGIZMK-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@H]1CC[C@H]1C(C)(C)C	2303505761	KJBAUNRFGKNYRQ-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
CCC1(C(=O)C[C@@H]2CC[C@@H]2C(C)(C)C)CCC1	2303505902	LVTYLNDILWEEPY-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(CN)CC[C@@H]1CCC(C)(C)C1	2304411936	NEJILPYJRNXFQG-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCCC2(CC2)C1	2307760473	IFVMRZQZLAYDPL-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC)CC[C@@H](CC)C1	2307764427	XCZYFBGQAZBSKH-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1(C)CCCCCC1	2307830466	CGIBVFSQJUTUAF-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC1CC(C)(C)C1)NC	2307895936	XQZNBRDDRDQFFZ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CC[C@@]3(C)C[C@H]32)CC1	2311021977	DYSYVWQBMPKZSK-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
N[C@H](C[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCCCCC1	2313170429	LLFPQGGXRLORPU-PQEBFOHHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(N)(CC2CC2)CC2CC2)C1	2315447928	UDZJBVXRPKFOQR-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC1C[C@H]2CC[C@@H]2C1	2315888647	RXMHXXRSPTYCSD-HUUCEWRRSA-N	243.394	4.719	0	10	BJAE	
Cc1ccc(C(C)C)c2c3c([nH]c12)C[C@H]1CC[C@H]31	2316224214	CQXAUYYSZWUKIT-YPMHNXCESA-N	239.362	4.649	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1CC[C@H]2C[C@@H]21)CCCC(C)C	2316551708	VDVUQCQJOWZPKP-YVSFHVDLSA-N	249.442	4.523	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H](c1ccccc1)C(C)C	2316575036	BPVKLJCVPOLLQZ-QGZVFWFLSA-N	244.378	4.742	0	10	BJAE	
CC1(C)CCC(N[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316880408	JDEFTCWXXZFEOF-OFQRWUPVSA-N	249.442	4.514	0	10	BJAE	
CCC1(C(=O)C[C@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316881496	QKYAHQAPUOWOTD-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C[C@@H]1CC12CCCC2	2317964325	GLNWUJQTARRXHW-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1C(C)(C)C[C@@]1(N)C1=CC[C@H](C(C)(C)C)CC1	2318266777	RWNAFLFNKYTKHP-IGCXYCKISA-N	249.442	4.523	0	10	BJAE	
CCCC(CCC)CNc1cc(C)c(O)c(C)c1	2318432094	DGBKUNZKVYAGER-UHFFFAOYSA-N	249.398	4.637	0	10	BJAE	
CC[C@](O)(CCCC1=CCCCC1)c1ccco1	2318593065	PMPGXVDKAMVXHX-INIZCTEOSA-N	248.366	4.548	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CCCNC23CCCC3)C1	2319138928	PPSKDEKDCMCNHG-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
NC1(CC[C@H]2CC[C@H]2C2CC2)CCCCCCC1	2319742353	WDZIKMSVCLTPGL-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H]1CC[C@@H]1C(C)(C)C	2320103510	JNTCAKJMAFBVDA-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC1(N)CCC2(CC1)CC2	2320255773	AJBYTNBCTVXHRN-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@]12CCCC[C@@H]1C2	2320324868	NTMGVPAIMVUNRG-CFAJVAMVSA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC(C)=C(C)C1)[C@@H]1CC1(C)C	2320336239	FREOHUGQVNCXFP-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2C(=O)C[C@H](C)C[C@H]2C)CC1	2320347944	MGMQEQHTTRRWJH-MPESAESLSA-N	248.410	4.764	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)c1cccc(C(C)C)c1	2320515847	HHNJXUFMDHRGHK-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](N)(CC2CC2)C2CC2)CC1	2320756483	YMTKSOUIYQBFNB-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@H](C)C2CCC2)c1	2327709337	YLKYEWGQFFNKAV-DYVFJYSZSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CC[C@H](C)C2)c1F	2327775209	AUZPLEVHMJCSHP-STQMWFEESA-N	249.373	4.797	0	10	BJAE	
CC1=C(C)[C@]2(C)CC(c3ccccc3)=C[C@]12C	1510433	MJUZIFPYYXUABG-SJORKVTESA-N	224.347	4.836	0	10	BJAE	
CCCCc1ccc(C(=O)CCC(C)C)cc1	36940899	FWOJQQOLBJIORF-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2ccc(Cl)cc2)C1	70682610	ZLPSNUUXKHXRCI-CYBMUJFWSA-N	237.774	4.721	0	10	BJAE	
CCCCC[C@@H](NCCC)c1sccc1C	71128400	WQACYHOLOCZFJG-CYBMUJFWSA-N	239.428	4.678	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](C)C(F)(F)F)cc1	75840431	FSGLWHYAVXBHIG-NXEZZACHSA-N	230.273	4.866	0	10	BJAE	
CC(C)c1cccc(-c2cccs2)c1	78624681	FIFBYVHTZJVBMI-UHFFFAOYSA-N	202.322	4.539	0	10	BJAE	
CSc1ccc([C@@H](C)Nc2ccsc2)cc1	85528950	QHIWSBIOOBBMBL-SNVBAGLBSA-N	249.404	4.643	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Sc1ccc(N)c(C)c1	91938748	WICUCNOYJBTWFU-IUODEOHRSA-N	249.423	4.638	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Sc1cccc(C)c1N	91945417	UTPXFDMQOYYLPL-QWHCGFSZSA-N	249.423	4.638	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCC1	111619818	JQYUYRDXPXJUTK-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(Cl)cc1Cl	143299293	MFFNTVZJESFBLD-SSDOTTSWSA-N	203.112	4.507	0	10	BJAE	
CCC(CC)C[C@]1(N)CCCC[C@H]1C(C)(C)C	147964357	VVSZLCOFEXHTHW-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CCC1CCCC1	158677114	GDCRVOBAROSVIV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)c2cccc3ccsc23)C1	163214514	NYLVGUHYDLZQKL-PWSUYJOCSA-N	244.359	4.520	0	10	BJAE	
CCc1ccccc1C(=O)[C@H]1CCCC[C@H]1CC	165745791	AIKDKGCNKBGOLF-ZBFHGGJFSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H](C)C[C@H](O)c1ccc(C)c2ccccc12	167651076	IHMOGGVDXSTQSP-PXAZEXFGSA-N	242.362	4.618	0	10	BJAE	
CC(C)c1nc2ccc(C(C)(C)C)cc2s1	201173684	SARRCCYPUZCNMH-UHFFFAOYSA-N	233.380	4.717	0	10	BJAE	
CCCC[C@@H](CC)CNC1C[C@H](C)C[C@@H](C)C1	219304939	DBCICFULODLVHI-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@H]1CCCC1(C)C	226911328	YSBKJHWPBMKNQL-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@H](N)C2CCCCCCC2)C1	227038927	ANYVACXMCDTGLT-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)[C@@H](CC1CCCCCC1)NCC	233345916	KUPQTHISUMSIKQ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)c1c(C)cccc1C	233608195	HEGYHISXFLQHKV-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
C[C@H]([C@@H]1CNc2c(Cl)cccc21)C(C)(C)C	235571463	QMCDIPWJLSHIHU-KOLCDFICSA-N	237.774	4.531	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCCC)C1CCCCC1	305988175	IXBFAHAQTJYFCR-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](NC)c1ccccc1C	308047594	IKLNNEIFODJGEC-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CCc1ccc([C@H](NC)[C@@H](CC)CC(C)C)cc1	308087379	YETJGONIENBZAN-DOTOQJQBSA-N	247.426	4.582	0	10	BJAE	
CCCCC[C@H](C)NCC1CCCCCCC1	309995668	UJIWRIMXBXEBRF-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCC[C@H](N[C@H](C)C1CCCCCC1)C1CC1	310239929	SQAORCJGBNVJIW-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C[C@]1(N)CCC(C)(C)C1)C1CCCCC1	310339666	NSLGXMKXDHNBQC-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(C3CC3)CCCCCN2)C1	310985133	KIFLCDPUDBGZBC-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](N[C@@H](C)c1ccccc1)C1CCCC1	313456770	BTWNUHOLWNEFGV-WMLDXEAASA-N	245.410	4.696	0	10	BJAE	
CCN[C@H]([C@H](C)[C@H](C)CC)C1(CC)CCCC1	319943358	BQOIPZJTGXNEMV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1ccc(C)c(Cl)c1	320165752	LRLLTEDAOBSAJN-GXSJLCMTSA-N	238.758	4.513	0	10	BJAE	
CC[C@H](N[C@@H](C)c1cc(C)cc(C)c1)C1CCC1	324945052	RUSGYOZEBZATLF-YOEHRIQHSA-N	245.410	4.533	0	10	BJAE	
CCNC[C@H]1CCC[C@H]1CCCCCC(C)C	383262188	XVKOOHAORAEZSS-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCCC[C@H](N)C1CCCC1	383395740	QFSVYGZVYWNLAX-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)C1(C)CCCC1	383607190	RTEKYSRYFQCSTR-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1CCCC[C@H]1C	384554107	QOYMGCLAGFFYJC-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](CCC2=CCCCC2)C1	385260255	YHYBQWPRWRIEND-HOTGVXAUSA-N	248.410	4.908	0	10	BJAE	
CC[C@@](O)(CCCCCC(C)C)C1CCCC1	387495476	DVAUASMWBZYMMH-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@H]1CC)c1cccc(C)c1	388589424	KQJUSYSOFFJIJY-PVAVHDDUSA-N	245.410	4.614	0	10	BJAE	
CC(C)CC(C)(C)CN[C@@H](C)C1CCCCC1	391222666	WVZMOAGSYXLBLI-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](O)C1(C)CCCCCC1	394615230	VLINWZNRPDREEX-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCNC/C(=C\C1(C)CCCC1)C1CCCCC1	394695156	SGSMKTCWJZBKOD-DTQAZKPQSA-N	249.442	4.683	0	10	BJAE	
CCCc1ccccc1C(=O)CCC(C)(C)C	395044509	UMVYZDZBGQHYLK-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCC1(C[C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCC1	395167701	PLPCPGYUURYAGD-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CSc1c(C)cc(C(F)F)c2ccsc12	396402846	HISNRTSYVCIANV-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@H](N[C@@H](C)CCC1CC1)c1ccccc1	398031270	JYAJPIIQVNCLPE-YOEHRIQHSA-N	245.410	4.696	0	10	BJAE	
Cc1scc([C@@H](O)CCCC(C)(C)C)c1C	399889995	WGVVWTMRNWFIIG-ZDUSSCGKSA-N	240.412	4.615	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@H]1CC=CCC1)CC(C)(C)C	402127580	DRWIPLAPSGCCAG-QLFBSQMISA-N	238.415	4.556	0	10	BJAE	
CSc1ccc(N[C@H]2CCCCC[C@H]2C)cc1	691101832	JXVLSVXNFFZKDQ-DOMZBBRYSA-N	249.423	4.789	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@@H]1CCCCC1(C)C	692104559	FXCYVXNMGBKVJQ-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC2(CC2)C1)[C@H]1CC1(C)C	695724174	ONTOKKAYKOMMMC-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H]2CCCC3(CC3)C2)C1	695916913	MENJHPBISNMWLA-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](O)CCC(C)(C)CC	696598667	MSWWPEGAHPPXEH-HOTGVXAUSA-N	248.410	4.758	0	10	BJAE	
CCC(C)(C)CC(=O)c1c(C)c(C)cc(C)c1C	696608332	FHJMELPFHZTMMG-UHFFFAOYSA-N	246.394	4.929	0	10	BJAE	
CCC[C@@H](C)[C@@H](CCC(C)(C)CC)NCC	696648335	XWPQIVQILQZAIU-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NC2CC3(CCC3)C2)CC1	697672719	AKLIOMPFBYEWGJ-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCCCc1ccn(C2CCCCC2)n1	698002781	AOFILSIRVNZZCV-UHFFFAOYSA-N	246.398	4.677	0	10	BJAE	
CC(C)=CCC[C@@H]1CCOC2(CCCCC2)C1	698003798	MSOIPBQMGZELRL-OAHLLOKOSA-N	236.399	4.862	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@H]1CC1(C)C	700634219	OGBKKZAIXUGSAZ-OAHLLOKOSA-N	245.410	4.578	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@H](N)C(C)(C)CC	701135696	GXULJSZCUWBHOK-BPUTZDHNSA-N	247.426	4.580	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H](C1CCC1)C1CC1	705301323	DXIAAHJXXQEALL-HNNXBMFYSA-N	249.785	4.639	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)c1coc(C)c1	706389012	JRXDVQMLHPCMNJ-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCCCC[C@@H]1C	707548249	WSFLWKKRQGLGIG-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@H]2CCC[C@H]21)C1CCCCCC1	707730950	GDOAEWRIJTZCMY-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CCN[C@@H]2CC[C@@H]3CCC[C@@H]32)CC1	707782202	ZQJKVWXFJGEGFO-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC(=O)c1cccc(C(C)(C)C)c1	709475455	HEPXKFCFROBATJ-UHFFFAOYSA-N	232.367	4.603	0	10	BJAE	
C[C@@H](CC(C)(C)CCNC(C)(C)C)C(C)(C)C	711131814	YELPNQYYZCSFOC-ZDUSSCGKSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@@H](CCC(C)(F)F)NCCC	714028511	PIMPOGITIOVMNM-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)c1cc(C)co1	716149111	SQCHPHMOADSXHL-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CC[C@@H](CN)[C@@H](CCC(C)=C(C)C)C1	718497584	ULYVZEWOHWHCFT-PMPSAXMXSA-N	237.431	4.524	0	10	BJAE	
CCCC[C@@](CC)(CN)[C@@H]1C[C@@H](C)C[C@@H](C)C1	719378287	UGXPAAQVBSHFFD-JJXSEGSLSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)C1CCC(N[C@H]2CC23CCC3)CC1	721178199	SFQXRGIMBYVMKV-NRXISQOPSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@H](C)NC1CCCCCCC1	1205890949	ZUEDEOZNMGYSPO-HNNXBMFYSA-N	237.431	4.824	0	10	BJAE	
C=C/C=C\CCSc1cc(C)ccc1Cl	1307392634	HNVOJGPOAPBFGM-PLNGDYQASA-N	238.783	4.873	0	10	BJAE	
C[C@H](CN1C[C@@H](C)c2ccccc21)CC(C)(C)C	1473570305	RGTGBEGRNXMFGQ-UONOGXRCSA-N	245.410	4.682	0	10	BJAE	
CC(C)=CCC/C(C)=C(/C)CC/C(C)=C/CO	1615651363	KSCZUNTYFHOHMT-ILGRFDKMSA-N	236.399	4.788	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CN[C@H]1CCCC(C)(C)C1	1652221452	YRMXECZUFGKUIH-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)N(Cc1ccccc1)[C@@H](C)C(C)C	1880408917	FKDHCPMNYDFTKV-HNNXBMFYSA-N	247.426	4.722	0	10	BJAE	
CCC(C)=CCc1cccc(Cl)c1Cl	1887881924	KLBMZIHTAYTZFS-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)[C@H](C)CC	1900704012	OMQDAMCSZWOYJS-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CCCCCCc1ccc(CC2CC2)cc1	1901885134	RBSDQEDUNKRTAM-UHFFFAOYSA-N	216.368	4.762	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(C)cc1F	1911850819	MZFDKAANCPRRGX-LBPRGKRZSA-N	206.304	4.594	0	10	BJAE	
CCCNCC(=C[C@@]1(C)C[C@@H]1C)C1CCCCC1	1911929706	WROLKBFNBQKQBM-WMLDXEAASA-N	249.442	4.539	0	10	BJAE	
C=CC=CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NC	1912050317	ZFSVSKQXQOMZPB-ARFHVFGLSA-N	249.442	4.559	0	10	BJAE	
CCCCC1(CNC2CC2)CC2(CCCCC2)C1	1912563351	GOHYEQIDONYGRE-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(CCCC(=O)C2CC3(CCCCC3)C2)CC1	1912628540	MLJXMUYPSHWABT-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCCC=CCNc1cccc(Cl)c1Cl	1914666386	JVMQAZDFDOAESI-UHFFFAOYSA-N	244.165	4.762	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CCC2CCCCC2)[C@H](C)C1	1916103344	FDCMCJSVQPZKEP-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)C)C1CC(CCC)C1	1921275050	AARKGXWGRPQNCL-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(CC)c(NCC[C@@H]2CC2(C)C)c1	1921559580	XQPBHEKMADSDQN-OAHLLOKOSA-N	245.410	4.660	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2C[C@H]3CCC[C@H](C2)C3)C1	1923479665	HZXFOLVAVBOUBW-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C[C@H]1C=CCCCC1)NCCC	1925914387	BUBAEHNTVYYMSZ-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
N[C@H](CCC[C@H]1C=CCCCC1)c1ccccc1	1925946044	PXCXFDKXBIIFFG-DOTOQJQBSA-N	243.394	4.603	0	10	BJAE	
Cc1ccc(Sc2cc(Cl)ccn2)c(C)c1	1935594981	SCKPWZJFWTYCMW-UHFFFAOYSA-N	249.766	4.503	0	10	BJAE	
CCC[C@H](C(=O)c1csc(CC)c1)C(C)C	1936762114	WVAQAWNBFBIMNW-ZDUSSCGKSA-N	238.396	4.566	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1ccccc1C(C)C	1940616687	QPBBSMWNHOXNCD-ZENOOKHLSA-N	234.383	4.526	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)C1=CCCCCC1	1941271425	DKRXEGQWFBANFK-HZPDHXFCSA-N	237.431	4.523	0	10	BJAE	
CCSc1ccccc1NCC1CC(C)(C)C1	1941825413	HRSFITMMLZMANG-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CCCC1(NC[C@H]2CCCC[C@@H]2CC)CCC1	1945277433	UCTYVYBLLHPZAX-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H]1CCCCC12CCC2	1947878848	MGIUFONFSOYEKZ-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CCC=C(C)C)CC1	1949025503	WIVDCLQZOQSPFI-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
CCCC[C@@](N)(CC)[C@H]1CCC2(CCCC2)C1	1949429975	VYVQBBFTVKKAIE-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCCCCC[C@H](O)CC1CCCC1	1949864589	OXRHQDKOPXKKCJ-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1CCCC(F)(F)CC1	1950015210	PMHZKIAURQQQSZ-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
CCCN[C@H]([C@@H](C)[C@H](C)CC)C1(CC)CCC1	1951239461	REXKTWZZALWVHG-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CCCN([C@@H](C)CCC(C)C)C1	1963182535	UJIAOSXHPFQINU-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC1(C)CC[C@@H](Nc2cccc(C3(C)CC3)c2)C1	1967832332	MFASPSAFRRBAMQ-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
Cc1ccc(N[C@H](C)CCCC(C)C)c(C)c1	1968254379	GEJZKRDDZPEXQT-OAHLLOKOSA-N	233.399	4.930	0	10	BJAE	
CCC1CCC(CN(C2CCC2)C2CCC2)CC1	1970996273	KVBQEMAGFLWUET-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H](C)CNc1ccccc1C1CCC1	1973429245	IUPOJTBSCIHVJH-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCCCCC[C@@H]1N	1980340274	VCYBGIQJLOQJBW-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CC(C)[C@@H](C)C(=O)C1(C)CCCCCCC1	1981428460	RASPVPBUJATBNW-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C(=O)c1cc(C)c(C)s1)C(C)C	1989977465	VCZFNTHINMUIDL-LBPRGKRZSA-N	238.396	4.620	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)CCC(C)C	1990093550	MFKNTCKDQOHNNB-LSDHHAIUSA-N	227.436	4.760	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1(CC)CC1	1995213823	GZOUQFQEJOFDIH-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(N)C1(C)CCCCC1	1995985765	AJZFHIZOGAPVOT-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H](C(=O)CC[C@@H](C)C(F)F)C(C)C	1996094101	KHHHAYFHQWSAGW-VXGBXAGGSA-N	248.357	4.555	0	10	BJAE	
CC[C@H](C)CN[C@H](CC)C1CCC(C)(C)CC1	1996595289	UTMIVVLEWPKGCF-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@@H](C)C(C)(C)C)NCC	1996609821	AQNIMJOKOBDHTN-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCC[C@@H](CC)CC1	1996614721	BLKCABVWTJKDQQ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@H](NC)[C@@H]1CCC[C@H](CC)CC1	1997117572	RXRJOAPSZWSQJH-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@](C)(CC)C[C@H]1CCC=CCCC1	1999989827	DWQHKZBOFDZXNE-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC[C@](C)(CNCC)C1CCC(CC)CC1	2000519989	GJWAWNZJLOBUIR-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC([C@](C)(N)CCC2CC2)CC1	2002924058	DYUNHRININGKRS-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC([C@](C)(N)C[C@@H](C)CC)CC1	2002924281	HKNQNAWRRIWOPY-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003024019	ZNTWRBLGLWDARV-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(F)(F)CC[C@H]1CCCCCCCC1=O	2003069623	AIJWRZPCJQPBKX-GFCCVEGCSA-N	246.341	4.742	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C1CCCCCC1	2003071255	WVDFAEKMPUZLMK-OAHLLOKOSA-N	236.399	4.886	0	10	BJAE	
OC1(CCC2CCCC2)CCCCCCCC1	2003111330	KRGSEYHSQXEFPF-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H](C)CC(C)(C)C	2004225627	JUHAMBYCLGMLHK-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CCCC(CCC)CNC1C[C@@H](C)C[C@H](C)C1	2004711029	FSWFWAFVPIMNNQ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CC(CC)CC	2007939203	FQXLUPMBQCQQBI-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC1(C)CC(Nc2cccc(C(F)F)c2)C1	2009304235	LZXPEERWMSNIRE-UHFFFAOYSA-N	239.309	4.615	0	10	BJAE	
C/C=C/CCCC(=O)c1ccc(C(F)F)cc1	2009572185	LDJSAYHJLYKUDL-NSCUHMNNSA-N	238.277	4.553	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H](C)C1CC1)NCCC	2009636693	ZAITXXVPAZZODL-UKWDMRDTSA-N	237.431	4.537	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CC[C@H]1C1CCC1	2017045870	WBPYSPPKZRRMEM-WFASDCNBSA-N	249.785	4.639	0	10	BJAE	
CCCCC[C@](C)(O)CC1(C(C)(C)C)CCC1	2017114069	HZFBDRVDFIAKBR-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H](CC(C)C)C(C)C	2017474387	CRZSCDICIHWPPW-HZPDHXFCSA-N	239.447	4.639	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)C[C@H]1CC[C@H](C)CC1	2017716390	RRHYWUWRZZFWAA-AJNGGQMLSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H](C)C(C)C)CC1	2017773520	BUIGFPZNYHSLDV-NFOMZHRRSA-N	238.415	4.844	0	10	BJAE	
CCCC1CCC(CC(=O)C[C@@H]2C[C@@H]2C)CC1	2017775686	FIZBJNXLHWVIRI-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2018185296	WXOYFUUKBPHNIR-XUWVNRHRSA-N	239.447	4.712	0	10	BJAE	
CCCC1(C[C@@H]2C[C@H](C(C)C)CCC2=O)CC1	2018926048	XPLMYABFKUDPBM-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@]2(N)CCCC[C@H]2C(C)C)CC1	2018974264	KPKMSGBMEMENPR-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(N2CCCCC[C@@H]2CC)CC1	2019162517	CREAJGNTBZDRTE-PCKAHOCUSA-N	237.431	4.610	0	10	BJAE	
CCC(C)(CC)CN(C)C[C@@H]1CCC[C@@H](C)C1	2019163802	LMGATLWBJKDONM-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CCN(c1cccc(C)c1)[C@H](C)CCC(C)C	2019407177	PKNVTZHSIUVBGQ-OAHLLOKOSA-N	233.399	4.646	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2C[C@@H]2CC)cc1	2022277221	CJILOUQRJPVTPD-YDHLFZDLSA-N	231.383	4.658	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1C[C@@H]1C1CCCC1	2022556052	CCAMYIWQJUTEFF-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CC(=O)CCC1CCCCC1	2022562205	YVCMYTHLNIRHKM-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCCCN(CCCCC(C)(F)F)[C@H](C)CC	2023437122	KJJGPTGBYXBLOS-CYBMUJFWSA-N	249.389	4.713	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CCC[C@@H]1CCC(C)(C)C	2024001282	QCFJWNOIUPXMLN-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(CC1CC1)C[C@@H]1CCCC(C)(C)C1	2024123576	MEJVHVFNJPGOOG-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(Cc1ccccc1C(C)C)C(C)(C)C	2027464508	AGQRSGXVGNJSRX-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
CC1(CCC[C@H](O)c2ccccc2C2CC2)CC1	2027830483	CIHFEBGAHIBSGD-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NC)c1ccc(C)cc1C	2028262871	KWZIEBIPXXGKOD-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@H](C[C@H]1CC1(C)C)C1=CCCCCC1	2032366620	UTQOBOWCHQLMAA-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@H]1CC1(CNC2CC2)CCCCC1	2032515199	QRGDBMADHRLALC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC1C[C@@H]2CCCC[C@H]2C1	2035403537	KHUDCCDACZSXRO-AESZEHBQSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@H]1C[C@@H]1C=CCCC1	2035590622	KUQGZANCOGQOLR-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@]1(N)CC1CCC=CCC1	2037206765	DTIZAXZBQGLCEZ-OIISXLGYSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2C=CCCCC2)CC1	2037272678	CPABZRDIFAGDQH-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CCCCCN1[C@H]1CCC2(CCCC2)C1	2037673951	AQAMBPLWUZFNBX-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
CCN[C@@H]1CCC[C@@H]([C@H]2CCC3(CCCC3)C2)C1	2037697004	DFIMZDZODNWFSL-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCNCC1(CCC2=CCCCC2)CC(C)C1	2038887222	QXXCWFIFHITDBF-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C[C@@H](NC1CC2(C1)CC(C)(C)C2)C1CCCCC1	2039460127	LXQQPANLYUWEGI-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)C1(CC)CCC1	2039726852	PDZKNASEFGPBBR-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@]1(C)CC=CCC1	2042025941	ZNPIEBNKMINPSO-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
O=C(CCC1CCC1)c1cccc(C2CCC2)c1	2042743837	APDQHSURTFGLRJ-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC1(C)CCC=C[C@]1(N)C[C@@H]1CCC=CCCC1	2045311388	JEGXYEYYFVQYCU-WBVHZDCISA-N	247.426	4.587	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@@H]2CC23CCCC3)C1	2047060175	VQRUXQHUCKQICC-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048467024	IOAJQLROJVHXMY-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H]1CC[C@H](C)CC1	2049634557	KALGHDYASNMMRG-CTYIDZIISA-N	244.378	4.648	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)C2(C3CCC3)CC2)C1	2051905652	NKAJOMDQXCESTD-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@@H]3CC[C@@H]32)ccc1C	2052287313	XGBDPNWNESZUEA-HYVNUMGLSA-N	243.394	4.548	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCCC23CC3)cc1C	2053304846	JFTOTSBLLMQBOS-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C1(C2CC2)CCCC1	2057604522	SFPVQROEXOBNJS-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1CC2(CCCC2)C1	2059247122	MDBNFHDFZBWSDZ-LLCTXKFZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C(C)(C)C)CC1)C1CC1	2061096551	VVNKAJLRRVJOMO-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(NC2CC(=C3CCC3)C2)CCC1	2061260005	HOFPPEOMABSCMR-UHFFFAOYSA-N	247.426	4.722	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)CC[C@@]12CCC[C@H]1C2	2061621173	DKGLPFPJWWWLOM-YALNPMBYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCC1CC(=C2CCC2)C1	2061639753	JIYXXFXWFHCSSM-CYBMUJFWSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)CC1CC(=C2CCC2)C1	2061696099	MCRKJXAXZYBTNX-CVEARBPZSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1CC(=C2CCC2)C1	2061739457	NSNBEDKLMTUBOC-DYVFJYSZSA-N	249.442	4.811	0	10	BJAE	
CN(C1CCCCCC1)[C@@H]1CCCCCC12CC2	2062192736	FIQXNDMVCJSQRE-MRXNPFEDSA-N	249.442	4.754	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCC1	2063417561	DEQYMRHGPBRVHU-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@@H]1CC(=O)CC(C)(C)C1)c1ccccc1	2063717005	YIRQBMGHHMLONV-ZIAGYGMSSA-N	244.378	4.576	0	10	BJAE	
CCCCC[C@H](C)NCC1CC2(C1)CC21CCC1	2064083202	OMFCSFTZNJHVKZ-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(NCC23CCC(CC2)CC3)C1	2065257803	MIQKDWMVGAXOOP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CNC23CCC(CC2)CC3)CCC1	2065259832	ONQOCRMNBPGCLZ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H](NCC12CCC(CC1)CC2)C1CCCC1	2065267872	OCIBOLYSABBAEV-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC[C@@H]1CCCCC12CC2)C1(C)CCCC1	2067521727	UDQGJCIIJUJRGD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@H]1CCC1(C)C	2068229796	KAQBFSFAPXARME-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H]1C[C@@H]2CC[C@@H]2C1	2068799385	IGDKAVJCEQTAPM-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@]2(C)C=CCCC2)CCC1	2069341911	JUQYUVNXYKAOLG-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1cc(F)ccc1C	2072416519	GNLIJSLNKWBEDM-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CCC=Cc1ccccc1	2072769417	CUGLGHOJOVMSCV-KRWDZBQOSA-N	246.394	4.667	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@@H]2CC23CCC3)CC1	2072798718	MAACDQXNINFHOR-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CNC[C@]2(C)C=CCC2)CC1	2072801870	RQPCQTCVVXWYAF-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@](C)(NC[C@@H]2CCC=CCCC2)C1	2073064106	OKBATZSVXCBTDZ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@H]2CCCC23CC3)CC1	2074643970	LSZWLWZYTASFTD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](N)[C@]23CCCC[C@@H]2CCC3)CC1	2074647420	XEZJKPAHXZZCFL-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](c1ccccc1)N1CCCCC12CCCC2	2074794713	MTFWQPBJMPZIRP-HNNXBMFYSA-N	243.394	4.546	0	10	BJAE	
CC1(C)CCC(C)(CN[C@@H]2C=CCCCC2)CC1	2075364380	HALOQIOFFOGSNG-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCN(CC1CCC=CCC1)[C@H]1CCCC1(C)C	2078716665	KRFVWKBTKBCYSZ-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1C[C@@H]1C1CCC1	2079314686	FAXAJYBPJHPURW-FVQBIDKESA-N	246.394	4.518	0	10	BJAE	
C1CCCC(NC[C@H]2C[C@@H]2C2CCCCC2)CC1	2079444883	VYJUNOXZSGCZJJ-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC1CCC1)C[C@H]1C[C@@H]1C1CCCCC1	2079832235	MJYDHYHBHHGFLG-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)CCCC23CCC3)C1	2082980926	ZGBGGAMFNZXEEJ-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C(C)(C)CCC	2212112714	BKKKZGPMOGAYCD-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC(C)CN(CCCCCCC1CC1)C(C)C	2213583383	RFYVTGOEILAKIU-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
FC1(F)CC12CC(CC=Cc1ccccc1)C2	2213822957	NJNGMNSTCIJQHN-UHFFFAOYSA-N	234.289	4.525	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC[C@@H]1C[C@H]1CC	2215236386	JIZIMIPBUKKOCZ-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](Nc1ccccc1)c1cc(F)cc(Cl)c1	2216169629	OLEQPGMBMNKJJF-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CC[C@H](N)CCC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216748305	UUCRILVCBREXOQ-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
C[C@]1(O)CCC[C@H]1CCCCCCCC1CC1	2216877159	JBXWTQIETWCZDZ-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218331187	CZJDXOLOVMGEFU-FSDCSDTHSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)[C@H](N)C/C=C/c1ccccc1	2219086359	DAXJGYNNTFVHNY-MSGBMKDASA-N	245.410	4.634	0	10	BJAE	
O=C(CCCCC1CC1)[C@@]12CCCC[C@H]1CCC2	2220012962	KKHXRGRUUBHNAN-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2CCNC3(CCCC3)C2)C1	2221037373	DDBHCCBPMXBFKG-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@](N)(CC2(C)CC3(CCC3)C2)C1	2221040620	PFVVUCXIVRKTOP-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@]2(C)CC=C(C)CC2)C1	2221643510	NTROUOBVUGRSLW-INMHGKMJSA-N	248.410	4.908	0	10	BJAE	
CC1=CC[C@H](CN[C@H](C)CC2CCCCC2)CC1	2221668565	PNDYVTFOKJXBBI-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C[C@@]12CC[C@H]1CCN2CCCCCCCC1CC1	2223123073	MIKPEPWMLVZSQZ-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
CCCC[C@H](C)C(=O)Cc1ccc(C2CC2)cc1	2223635461	XOJJCFXPAFTWKK-ZDUSSCGKSA-N	244.378	4.502	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)c1cccc2ccoc12	2224181850	IXHOUEFKUXMZEV-CQSZACIVSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@H](N)CC[C@H](C)CCCC(C)C	2244838298	UFFWDKCWUQKFNB-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CCCCC12CC2)NC	2246600321	YJCPYOKEHYRUBN-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C1CCCCCC1	2247176265	NWFYPTBTYJMVSV-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCC1CCC(N)(CCCC[C@H]2C[C@H]2C)CC1	2247176535	PYTGCVGGMBWTEY-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCSc1ccccc1NC[C@H]1CCC1(C)C	2247389916	CMCLHQJNUITLOK-GFCCVEGCSA-N	249.423	4.647	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@H]1CCC12CCC2	2247395969	BRVLOKSTJSQYSV-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)CC1=CCCCC1	2247460471	BXZOPAWSMQVYCD-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C(=O)C[C@]12CCCC[C@H]1CC2)C(C)C	2251159514	UMASTFCBHPIGBD-OFQRWUPVSA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(C[C@]2(N)CC[C@@H]3CCCC[C@H]3C2)C1	2253656193	QZJSZFVINUSJML-QDZBGDLPSA-N	249.442	4.501	0	10	BJAE	
CC1CC(C)(CC(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2253752578	NJKJUFAYJNPJFE-ZTPJQAPRSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCCCN1CC[C@@H]1CCCCC12CC2	2253847847	BRJUSXAMMBZHQA-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC2CC3(CCCC3)C2)CC1	2254104999	DAVNENHOAGQNTH-CTYIDZIISA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCC[C@@H](C)[C@@H]1C	2256145252	VTRPQGRXSWPRKY-TYNCELHUSA-N	249.373	4.625	0	10	BJAE	
CCc1cccc(OCCCCC[C@@H]2C[C@H]2C)c1	2257250271	XLYMLSXUAOFUHM-GDBMZVCRSA-N	246.394	4.844	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@]23CCC[C@H]2CC3)CC1	2260504394	DTPZGYVECRSWMV-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCC[C@]1(C[C@@]23CCC[C@@H]2CC3)CCCCCN1	2260578198	KHEVBDXRRXQBEN-IXDOHACOSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC[C@](C)(NC[C@@]23CCCC[C@H]2CC3)C1	2260581359	DFQRNGRVRIAKSG-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@H](C[C@]23CCC[C@H]2CC3)NCC)CC1	2260589445	YGRGRBMCHBJJKY-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NC[C@]12CCCC[C@@H]1CC2)C1CCC1	2260625954	SSENWRBVPMXLLF-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NC[C@]12CCCC[C@H]1CC2)C1CCC1	2260625959	SSENWRBVPMXLLF-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
NCC1(C[C@]23CCCC[C@@H]2CC3)CCCCCC1	2260650101	BCNMWRLETKAIRX-NVXWUHKLSA-N	249.442	4.646	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C)CC1CCC1	2298880105	ZJWNTQQXFMSAJC-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H]1CCCCCCCC1=O	2298936378	PNYBHNSVOPFNRA-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC1CCC1)C(C)(C)C	2298937513	YZWAJXOXVXREDJ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCCCC12CC2	2300684373	TYDVQNNLSKYTSU-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC=CC[C@@H](O)C1CCC(CCCCC)CC1	2300904876	STQOVEUEAPDZCA-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
CC(=CCC(=O)[C@@]12CC[C@H]1C2)CCCC(C)C	2300923839	MWVUVQGTLJBDEJ-GOEBONIOSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@@H]1CC=C(C)CC	2300926894	PUJZVIMJHLZLQB-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H]1CCCC[C@@H]1CC1CCCCCC1	2301245034	RPSLXLBWTLEXFR-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@H](C)[C@H](C)C(C)C	2301686551	WBDSRXIJBYZGDU-HUUCEWRRSA-N	241.463	4.717	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)[C@H](C)C(C)C)c1	2301962434	SYLHQBKQGXFOKA-KGLIPLIRSA-N	233.399	4.903	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@@H]2C[C@@H]3CCC[C@H]32)n1	2302261881	GGLRIMKIEJTENY-IRCOFANPSA-N	247.407	4.560	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC1(C)CC(C)(C)C1	2302612110	VHZICUDOWFCYDL-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@H](N)[C@@H]1CCC(C)(C)C1)CC(C)(C)C	2302659805	CJKCDGZFDIEURI-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@@H]1CCC(C)(C)C1	2302712938	KJUHIXCDANJRAJ-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(C[C@H]2CCC(C)(C)C2)CC1	2302893464	VORROSPFZLGPRF-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CC[C@@H]1C(C)(C)C	2303415868	HZHOJHBSZAQHCI-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@](C)(O)CCC(C)C)CC1	2303520830	HXOPIQLFBLYJRW-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)CCC(C)(C)C)CC1	2303577527	NJSYCVAJYSAWOH-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)c2sccc2C)CC1	2303594049	BUSABQNVIPPUNU-ZIAGYGMSSA-N	249.423	4.596	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCC[C@@H](O)C2)C1	2304396262	JRINAICMOYOTHW-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@H](CC)CCC	2307896470	UVXVHSAWJNXDLW-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@@H](C)C[C@@H]1NCC	2307898597	LFSODVJEOJOKDA-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@@H]2CC[C@H]12)C1(C)CCCCC1	2309517094	AJOQTFGSYFTLLM-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H]2CC[C@@H]2C2CCC2)CC1	2310981754	SUHXDOHUPQLZIY-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311610347	NKVAXMBFXAFOBD-ZQIUZPCESA-N	248.410	4.598	0	10	BJAE	
N[C@@H]1CCCCCCC[C@@H]1C[C@@H]1C[C@@H]2CC[C@H]1C2	2312879783	KBQHQFXJPIVWID-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@H]1C[C@@H]2CC[C@H]1C2	2312914565	FLOWCAOMFQZGHV-FZKCQIBNSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312936221	KNTPIVMCNJZZGN-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CCC1	2312941814	IGPFTBZELBRBPK-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C(CC2CC2)CC2CC2)C1	2313626350	GZHJSYJEBOACRU-WFASDCNBSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(C(=O)C(C)(C)C2CCC2)ccc1C	2314703678	ZECGAWMDQGTPFC-UHFFFAOYSA-N	244.378	4.566	0	10	BJAE	
CCC(CC)CC[C@H](O)c1ccccc1C1CC1	2316235682	MVEMWZSDSCWQJK-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Cc1cccc2c1NCCC2	2317834451	JRLDMYIYCDKHAU-ZIAGYGMSSA-N	245.410	4.515	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCCC[C@H]3C[C@H]32)CC1	2319230465	CXTJLFLWXWQRRG-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@@H]1C1CC1)C(C)=C(C)C	2319548121	AHUCHUKIZZLJNO-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1N[C@@H]1CCCC2(CCC2)C1	2320145492	ZOHQFYYQDNVQBT-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC1=CC[C@@](C)(NC[C@@H]2CC[C@H]2C(C)(C)C)CC1	2320319300	FIIFDPRCXLRNHR-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)CC2(C)CCCC2)CC1	2320416712	MWUJEEHPPFXKPL-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@@H]2CCC[C@H](C)C2)CC1	2320417963	ZWBMPGIJMYHWAH-IAOVAPTHSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](CC1=CCCC1)c1cccc(C(C)C)c1	2320518207	ZTVSPTWWRPXEMG-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC1(C)CC[C@@H](CCNC2CC3(CCCC3)C2)C1	2321625704	PSBSQKXVTSVDIA-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)Nc1ccc2oc(C)nc2c1	21813286	STLHKKPRXMVUDO-UHFFFAOYSA-N	246.354	4.517	0	10	BJAE	
c1ccc(-c2ccc(-c3ccco3)cc2)cc1	34613037	PUYVVMABQFYDIU-UHFFFAOYSA-N	220.271	4.614	0	10	BJAE	
CC[C@@H](C)c1ccc(NCc2ccccc2)cc1	35040858	CSLHUILQRZYCGO-CQSZACIVSA-N	239.362	4.812	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(C)c2ncccc12	37312705	QUUSHGXVXWGLJD-ZDUSSCGKSA-N	242.366	4.534	0	10	BJAE	
CC1=C2C=C(C(C)C)CC[C@@]2(C)CCC1	59588801	VEGYMPQCXPVQJY-OAHLLOKOSA-N	204.357	4.869	0	10	BJAE	biogenic,in-vitro
CC[C@H](Nc1c(Cl)cccc1Cl)C1CC1	83847758	UWYPERVVAOMZLW-NSHDSACASA-N	244.165	4.594	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2c(C)cccc2Cl)C1	85387978	AAJIKSLYLQGQCB-NEPJUHHUSA-N	237.774	4.639	0	10	BJAE	
CC1=CCC[C@]2(C)CC[C@H]3C(C)(C)C[C@@]132	86035237	WHXUZXDWQKUIJL-NWANDNLSSA-N	204.357	4.559	0	10	BJAE	endogenous,in-man
CCC(CC)(CC)NCC[C@H](C)c1ccccc1	86642250	OYOKYRJDJNASLF-HNNXBMFYSA-N	247.426	4.739	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H](C)CC1)C1CCCCC1	86889880	HTLVSKJPKOQODG-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CC1=C[C@H](N)CC(C)(C)C1	87322952	ZTAWMAOBBVCTPF-ZFWWWQNUSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@H](N)C1CCC(CCC)CC1	87962664	MNIXNFBXZUHCFZ-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](CCC)C1CCC(C(C)C)CC1	87966812	AOXPFIXUPONCIG-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC1(CNC(C)(C)C)CC1	97148020	WJBBHUAROCWPBT-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(CC)cc1	110158895	SLWSDXAGXQJUOS-OAHLLOKOSA-N	233.399	4.877	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(O)C2CCCCC2)C1	122021496	CNOFYOYVXOICOS-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)c1nc2ccc(CC)cc2[nH]1	124908828	OWHXCPUXHITNCB-CYBMUJFWSA-N	244.382	4.809	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCC(C)(C)C2)c(C)c1	129462288	PYEHWXJVGPVCQP-AWEZNQCLSA-N	231.383	4.602	0	10	BJAE	
CCCCC[C@H](N)c1ccccc1C1CCC1	132662776	FFHLONVKCZZCOF-INIZCTEOSA-N	231.383	4.534	0	10	BJAE	
CC[C@@H](NCCCCC(C)C)c1cccs1	147365331	ISLZRWHVCJWURU-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(O)CC1CCCCC1	156151808	SPRKJWPQSDVWBR-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@@H](N)c1c(C)ccc2ccccc12	160835806	ZUWPYMCVZZHEQL-SUMWQHHRSA-N	241.378	4.584	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)c1cc(C)cc(C)c1	162250360	NJMBPBJLUIQLIK-SUMWQHHRSA-N	247.426	4.780	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C1(CC)CCCC1	163386879	IVNAIWJLENYUBV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCCC(C)C)C1	165712887	ARYRRCLXWADMBV-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CC[C@](C)(CNCC(C)C)CC1CCCCC1	203436468	YNKATUGJTPCOIZ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)/C(=C/C1CCCCC1)CNC(C)(C)C	212086782	XEQWISRFBMGPOV-RVDMUPIBSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	218177324	VGUAGRAPIZFOJS-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CSc1ccc(N[C@H]2C[C@H](C)CC[C@@H]2C)cc1	221618745	SLLHRWKWPVXCMD-XUJVJEKNSA-N	249.423	4.645	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)c(C)c1	229191929	QSMGEJOYPXGSBC-KCQAQPDRSA-N	244.378	4.558	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CC[C@@H](C)[C@@H](C)C1	229413032	ZCXFLQQVXMPHJE-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)NCC1(CC)CCCC1	232980319	DUTBIAZDJFGKGI-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCCCC(C)(C)CNc1ccccc1	238252867	YXWBKRACYAMVLC-UHFFFAOYSA-N	219.372	4.705	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)CCCC(C)(C)C	302369027	YWYPKKFGSBCVIS-SDNWHVSQSA-N	239.447	4.927	0	10	BJAE	
C[C@H](NCC1CCCCCCC1)c1ccccc1	305900723	BFFPGCBMUCZSGC-HNNXBMFYSA-N	245.410	4.698	0	10	BJAE	
Cc1ccc2scc(C(F)F)c2c1Cl	307315301	XMUWYLIXMMBFGF-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@@H](CC)CC(C)C	308105919	VMYWXYFVFFNHMC-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CC2(C)CCCC2)C1	310478661	CJUGIGHQVVNKGN-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C1CCCCCCC1)[C@@H](C)C(C)C	318983739	FOTHHFUBIOKQQB-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)CCC)CC[C@@H](C)C1	319288278	NEMXAKJDRRRRQS-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(N)CC(C)(C)CC(C)(C)C1	319627083	NKQCDXKHJMJWMC-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
CCCC1(CN[C@H]2CCCCC23CCCC3)CC1	380911434	VXQPXYOZYRFLOD-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC[C@](O)(C[C@H]1CCC[C@@H](C)C1)c1ccccc1	380955449	RFJSDDRQNAIWQV-VYDXJSESSA-N	246.394	4.501	0	10	BJAE	
C[C@@H](N[C@@H]1CC2CCC1CC2)C1CCCCCC1	381978333	ANOHRCVOWKVJHY-RKHAHWSXSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCCCCCC(C)C)c1ccccc1	383404395	UMCWHBRUOMVCRU-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
CC1(C[C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CCCC1	386054533	WBFOQYGBHZBXGI-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cc(C)cc(C)c1	388594635	NLLFFWKZAUFODF-UXLLHSPISA-N	245.410	4.533	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCCC12CCC2	394752442	VNIMKPIGUBTCOK-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
CSc1cc2c(F)ccc(C(F)F)c2s1	396252570	SBUBTRILBVBVKE-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
COc1ccc2sc(C(F)F)cc2c1Cl	396291888	SUSRBZUENUAMHI-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCN[C@H](CCC1CCC1)c1cc(C)ccc1C	398796285	MIOZYAAXSQXWAV-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1	403392948	NMAYHXRMNAEYMF-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CCC1(CNc2ccc3c(c2)CCCC3)CCC1	404754433	KRNPWZXHMGOVBT-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@H](C)CC(F)F	688814918	ZBELKZIYAJHBKV-RYUDHWBXSA-N	248.357	4.699	0	10	BJAE	
Cc1sccc1CNc1cccc(C2CC2)c1	690164560	NTJKNTFMGCKZQD-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1Nc1ccc2[nH]ccc2c1	691139513	OQSJWSJYXYMCHM-WFASDCNBSA-N	242.366	4.549	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NC1CCCCCC1	691181706	BEQTVDXUJSMLJB-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@@]12CCC[C@H]1C2	693146175	JSKIGVZYUBEUNX-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@@H](C)C(C)(C)CC)[C@@H]1CC1(C)C	695154967	YXASYOCGWRPJTE-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)c1ccccc1	696595368	UXQMUISPRLDEKM-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cccc(C(C)C)c1	701545340	FMZJVMGVYMQEQK-CZUORRHYSA-N	234.383	4.670	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CNC(C)(C)C)C[C@@H]1C	703339370	COQBIVVGNXGSTQ-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC=C(C)C)NCC	704906558	JAAFAZLMAYJJHQ-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CCCCC[C@H]1C(C)C	709216980	JRMNWKPEUZZJSO-VGWMRTNUSA-N	239.447	4.616	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC1CCCCC1	709239066	VTNBWSKCWJRWGI-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)c1cccc(CC)c1	710242652	DQKZVNAIRJLACH-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C(C)(C)C1CCC1	713232264	HJVGCRKCOBJTKE-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@H]1CC[C@H](CC)CC1	713254888	HNGAUKYJBKFHAW-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](CNCC(C)C)CC(C)C	713268512	QAYNUCPKMQBWSZ-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccccc1C(C)(C)C	713339221	OPIBJMRKPRPCAU-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
C=C/C=C\CCC(=O)C[C@H](C)CC(C)(C)C	713655510	IXTMBILUDDMBCD-WSROAFLRSA-N	222.372	4.540	0	10	BJAE	
CC/C=C/[C@@H](C)Cc1c(C)cc(C)cc1C	714565433	CRFFMANKUDLJBE-ABZNLYFFSA-N	216.368	4.757	0	10	BJAE	
CC(C)CCC[C@H](N)c1cscc1C(F)F	717195368	XFVZAKAZHMYGOO-NSHDSACASA-N	247.354	4.512	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@H]1CCCC(C)C	717531544	JNMSQOLPOSTZLN-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(F)(F)CCCC(=O)CCC1CCCCC1	718660581	OZPMYAZUPZBUCA-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1ccc(C2CC2)cc1	718750292	VNWCUSYETHFMMG-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
C[C@@H](C[C@]1(O)CCCCCC1(C)C)C(C)(C)C	719283019	BPARFOMAPBTZIV-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCC1([C@@H]2[C@H](C)CNC23CCCCC3)CCC1	721043670	DVJFZTVOCYRKJQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@]12CCCC[C@@H]1C2	822080320	HANQPAYRYJVKFQ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C(CCC1CCCC1)CNC1CCC2(CC1)CC2	1461257975	ZPRGBGVCKYEPAK-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@@]1(C)CCCN(C[C@H](C)CC(C)(C)C)C1	1641870093	IXVSZECVHPZWHC-ZBFHGGJFSA-N	239.447	4.571	0	10	BJAE	
Cc1cc(-c2c(F)cccc2Cl)cs1	1889510840	XFBYFCMEWBVSRP-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCCC[C@@H]1C	1900711744	FNSZVFLTBBCUNY-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CSc1ccc(N[C@H](C)[C@@H](C)C(C)C)cc1	1901627801	VBVSVQZFQAZNCZ-NWDGAFQWSA-N	237.412	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCCC1(C)C	1905309138	UOSQPOAVAVXHPS-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(CC)CCCC1	1905430698	DGKVBGYOTAXLRM-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)[C@H](C)CCC	1908546289	BZDKNZMIYQCTDT-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C[C@@H]1C[C@H]1CC	1909597615	IZUHXPYRHBRRJE-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H]1C[C@H]1C(C)(C)C	1910739095	DOWHKBSFFBPFPL-BYNSBNAKSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc([C@](C)(O)C[C@@H](C)CC(C)C)c(C)c1	1919912965	CDURELFQODKTAV-WMLDXEAASA-N	248.410	4.583	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)c1ccccc1C(C)C	1919971389	ZLQWCDXQPHJDAG-WMLDXEAASA-N	248.410	4.844	0	10	BJAE	
CC(C)C[C@@](O)(CCC1CCC1)c1ccccc1	1920027143	IOZJOMWESRCWGV-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CCCCCC[C@@H](NCC)C1CC(CCC)C1	1921273005	PPWZOEWMNLRWEJ-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1N[C@@H]1CCCC12CCC2	1921494147	DGGLEDMCAMJVJW-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
Cc1sc(Cl)cc1[C@H](N)CCCC(C)C	1933696551	OGOFNKATHMNTOT-LLVKDONJSA-N	245.819	4.536	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@H](CCC)C(C)C	1941262726	ILCITUUKYJKAGV-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)C1=CCCCCCC1	1941265723	XAZJRYAIKFTZHC-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1[C@@H](C)CCC(C)C	1942659124	QRHBWIHANDFGFR-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@]1(O)CCCCCCC1(F)F	1947290877	YEAJAFKWVYHZBN-CYBMUJFWSA-N	248.357	4.677	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H]1CCC[C@@H]1CCC	1947467899	MLUDMKYXXVOQBT-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
Cc1c(Cl)cccc1C(=O)C[C@@H]1C=CCCC1	1947553618	ZUTJIOIMGDDMJT-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
C1CCCCC(NC2CCCCC2)CCCC1	1947880466	GOSSRVXNJOQQFH-UHFFFAOYSA-N	237.431	4.802	0	10	BJAE	
CCCCCC[C@](C)(N)CCC[C@@H]1CC1(C)C	1949050392	DGGWYHPXHZTCPH-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCCCCC[C@@H](O)CC1CCCC1	1949864590	OXRHQDKOPXKKCJ-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCCN(CCCC)C[C@H]1CCC(C)(C)C1	1963218950	IDNXAAALCZTVFZ-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CC[C@H]3C[C@H]3CC2)CC1	1966012231	PXCWOYYYIDCMFU-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCCC12CCC2	1967797821	PKSMQLYRTKPEHT-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1967860643	PKZFQAUNJDXCPP-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCCCC23CCC3)c1	1968230634	SWQIODMKGHBUST-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
Cc1cc(N[C@H]2CCCCC23CCC3)ccc1F	1968591619	LKGBQJBSFZADAM-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
C[C@H](CC1CCCC1)NC1CC2(C1)CC(C)(C)C2	1973746590	ASIGUYMHCLFXHC-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@H]1CCCC2(CCCCC2)C1)C1(C)CC1	1973862780	FZCOATLZFFMVEL-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@H]1CCCCCCC[C@H]1O	1980351182	MAEOLRKMTXMMOF-LSDHHAIUSA-N	226.404	4.678	0	10	BJAE	
CC(C)CCC[C@@H]1CCCCCCC[C@@H]1N	1980353021	WYODZUSBLGODIQ-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC1(CC)CC1	1995263278	RACHXCKXWHCDMS-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)NC[C@H]1CCC[C@@H](CC)CC1	1997101255	XXSUDLUNMQHWRF-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCC(C)=C(C)C)CC1	1997190684	HWRBIACILDHTLT-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1CC(C(C)(C)C)C1	1998234279	GLBNKMOYAOKNOX-HSBZDZAISA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CCNC(C)(C)C)[C@H]1CCCC(C)(C)C1	2000161992	JIELYCYDCPJWOH-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC1(N)CCC2(CCCCC2)CC1	2000281894	IDLSTHDKBMJFOM-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)C1(CCC)CCC1	2000388891	YFAZINKVFCWRIJ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCCCCC1(F)F	2000758286	UTBNKYPTNKVHDA-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@H]1CCC12CCC2	2001845953	YQGYALQOWYKGCZ-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(CN)CCCC(C)(C)C1	2002975218	XDETXSYIGZAMJL-ZBFHGGJFSA-N	239.447	4.604	0	10	BJAE	
CCCCCC1CCC([C@@H](C)NCCC)CC1	2003069326	WNJURZPLXQNJII-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@H]1CCCC2(CC2)C1	2003220241	GKVZKCMYPSAVKG-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCC[C@H](C)CC1	2004711793	NKUPPBUELDSEAJ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@H]1CCC[C@H]1C	2006755705	SBIXPWQXBIFMPW-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](N)C1(C)CCC(C)(C)CC1	2007691049	BTQJQUINHWBMRD-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCCCCC1(F)F	2009569542	PYBCJVHUTGQBSS-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
CC=CCCCN[C@@H](C)[C@@H]1CCCC(C)(C)C1	2009596468	QZPWPVOUKHWART-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCC[C@H](C)C2)C1	2009716595	WBIWQCXUOUKFKV-UIDBIOKJSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(O)C2(C)CCCC2)C1	2014325900	MZZCAPBFMTUZQY-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)CC(C(C)(C)C)C1	2014655064	IGSRFTSNXCWQLQ-VQCLRJIVSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C[C@H]1CC(=O)CC(C)(C)C1)C(C)C	2015379869	QOMXMHKGAYNGIQ-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
c1cc2cc(N[C@@H]3CC[C@H]4C[C@@H]3C4)ccc2s1	2015549064	UVFRJSASNCMUEE-SCDSUCTJSA-N	243.375	4.502	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](C)CCC=C(C)C)[C@H]1C	2016149979	OPJAMCPLVRBQOH-JONQDZQNSA-N	237.431	4.536	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)C(C)(C)CCF	2016768243	NRASDFYHMAINJE-AWEZNQCLSA-N	245.426	4.567	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NCC1(C(C)(C)C)CCC1	2017143831	RDAOVIJYDZWJHS-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](O)C1(C(C)(C)C)CCC1)C(C)(C)C	2017154702	MJDVYNCVMOVLMG-CHWSQXEVSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@](C)(NCCCCC2CC2)C1	2017621017	YSDBXWZYXUYCJV-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)C(CC)CC)CC1	2017650212	DSBGDNZIRUSVNP-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCCNC[C@H](C)CC1CCC(CCC)CC1	2017729511	XJARCYAGZQJJRR-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(C(F)F)cc1	2017744496	ZBMDQULCQIBNOG-JTQLQIEISA-N	241.325	4.861	0	10	BJAE	
C[C@@H]1CCC[C@@]1(C)NCC1CCCCCCC1	2017868801	OLMOSQDNGCXEJV-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](NC)C2(C)CCCCC2)CC1	2018989370	FBNWGVCIWBBQMQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC(=O)[C@H](C[C@@H]2CCC=CCCC2)C1	2023625839	YBFRVYPNPYRIQL-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C)[C@@H](N)CC1CC(C)(C)CC(C)(C)C1	2024093143	YVPHGDYUXNZWLW-JSGCOSHPSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@@H](c2nc(CC3CC3)cs2)C1	2026539587	FCJGRSIOGYMJOL-GFCCVEGCSA-N	249.423	4.779	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](NC)c1ccccc1C(C)C	2027518755	VOWXICNIJUGLNM-VBQJREDUSA-N	247.426	4.753	0	10	BJAE	
CCCC[C@H](C)NCc1cccc(C2CCC2)c1	2031914686	JTCDAARPTVDDEH-AWEZNQCLSA-N	245.410	4.622	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)CCCCC12CCCC2	2032505601	JCZKAAMETIOLPV-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCNC[C@@]1([C@@H]2CC2(C)C)CCC=CCCC1	2033628692	FLLSVADBEBKSEC-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
O=C1[C@H](CCC2=CCCCC2)C[C@H]2CCCC[C@@H]12	2034267326	HONCDXSDEJMTSA-BZUAXINKSA-N	246.394	4.662	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1c(C)cc(C)cc1C	2035428701	ZCOCMEFMTBXMJX-HOTGVXAUSA-N	245.410	4.993	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	2035865567	UQHSSIQHZFPUQO-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC(=O)c2cccc(C3CC3)c2)CCC1	2036352895	UWSAJADOOITJNZ-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCC1(C)CC([C@@H](N)c2ccccc2C(C)C)C1	2036476891	KUPLGEKMZLAXJK-BLDCVEFLSA-N	245.410	4.636	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CCC2=CCCCC2)C1	2037173067	XUQWQLVMFGUCMX-BHYGNILZSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCC[C@](N)([C@@H]2CCC3(CCCC3)C2)[C@@H]1C	2037580240	KGBXLGJPIKQISD-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CC1CCC(CC[C@@](C)(O)c2ccccc2)CC1	2038165656	MKUCQCARXTXXMO-VMBOVVBDSA-N	246.394	4.501	0	10	BJAE	
CC1(C)CCC2(CC1)CC(NCCC1CCC1)C2	2038934834	WFDMSIGRHMJJEQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](CNC2CC2)(C2CCC2)CC1	2039374913	IMJRKNFEKRBHGD-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](O)[C@H]2CCCC(C)(C)CC2)cc1	2039387153	VKAHCVBXFZGTSC-HOCLYGCPSA-N	246.394	4.635	0	10	BJAE	
CCc1cccc(CC)c1NC[C@H]1CC[C@H](C)C1	2040168077	DKZSRJPPEIQUJE-KBPBESRZSA-N	245.410	4.660	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H](C)C1)[C@@H]1C=CCCC1	2043185993	AYPIHBDVJBBKSN-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)[C@@H]1CCCC(C)(C)C1	2045392768	XMRDETJDLWDZCD-GDBMZVCRSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)C2CC3(CCC3)C2)C1	2045401036	PHDZMPYKKYALOZ-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(F)c(C(=O)[C@@H]2CCCC(C)(C)C2)c1	2045450454	OZNHAQSBXRDAFB-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)[C@@H]1CCCC(C)(C)C1	2045537696	CPMIPGUJLXCUFH-XUWVNRHRSA-N	249.442	4.523	0	10	BJAE	
CCC(CC)(CC)C(=O)c1c[nH]c2ccccc12	2045608528	MQRUIFHFNXHJKX-UHFFFAOYSA-N	243.350	4.567	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@@H]2CC23CCCC3)C1	2047063339	VQMQABJDOLRLKF-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@@H]1CCC12CCC2	2047941539	CZZJJDKTYCTCHM-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CC(C(=O)[C@@]23CCCC[C@@H]2CCC3)C1	2048625055	WKCDPQXCVRZGFW-OCUYMYNFSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@]1(C)C=CCC1	2050006084	KUCVBDDOLLBYPD-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Oc1cccc2c1CCC2	2050414045	NNRRZVMHLYCNGJ-XJKSGUPXSA-N	244.378	4.523	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CCCCC2)C1(C)CCC1	2052350282	XXHGOLGXTALOOE-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCCCC23CC3)cc1	2053309324	UDHIBLUAVQGDGP-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CN(CC1CCCCC1)[C@H]1CCCCC12CCC2	2053433015	BWLNBVGHTBKLNF-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H]2C=CCCC2(C)C)C1	2055536107	MIYQVUKVXLDAMA-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](O)C2(C)CCC(C)(C)CC2)cc1	2056559440	SSADLDQKMBTNNY-OAHLLOKOSA-N	246.394	4.635	0	10	BJAE	
CC=CCCC[C@H](NCC)c1cccc(C)c1F	2059225024	IOWJOBUSTOYIRJ-HNNXBMFYSA-N	249.373	4.531	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1ccc(C)c(C)c1	2059226317	YBBDIKCSEYWBJR-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CCN[C@H](CCC1CCC1)C1=CC[C@H](CC)CC1	2061084002	HEDYWDKNONGSOV-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C1=CCC(C)(C)CC1	2061112885	JXKLKRFSUJMAPM-CXAGYDPISA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@H]1C[C@H]1CC	2061147282	NCAVJBDQDHIZDW-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC1CC(=C2CCC2)C1	2061252091	HBYQKVHKYPPNKB-ZDUSSCGKSA-N	247.426	4.578	0	10	BJAE	
CCC[C@]1(CC[C@@]23CCC[C@H]2C3)CCCCCN1	2061574497	IJQZCHLNKQIRAM-GVDBMIGSSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC(C[C@H](N)C[C@]23CCC[C@@H]2C3)CC1	2061620689	ABLFNCPHPVHOCT-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCN[C@H](C)c1ccc(C(C)C)cc1	2062371935	KPFWQFWASQCTAY-LLYBFZRZSA-N	245.410	4.817	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1=O	2063427476	NJGNKJNZEMCPKL-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CCCCC1CC(N)(CC2C[C@H]3CCC[C@@H]3C2)C1	2063495520	CIBKYIOTWJDDLO-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@]1(N)CC12CCC(CC1)CC2	2065337594	BFYVTTIJEVRATG-RNONSGAXSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCC(N)(C1CCCC1)C1CCCC1	2065934963	KGTQTWUPQHDHGE-NSCUHMNNSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](CCC(C)C)NCc1ccc(C)cc1C	2066077541	DWEKYQPJVZYATB-QGZVFWFLSA-N	247.426	4.608	0	10	BJAE	
CC(C)c1cccc(N[C@@]2(C)CCCC2(C)C)n1	2066353444	CSXUEPPHTIZHCD-INIZCTEOSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)CC12CCC(CC1)CC2	2068274350	UWPRIASHGMTZBW-OGOZQZCJSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](NCCC)c1cc(C)c(C)o1	2068907867	ARJCLVRURHMZRR-HNNXBMFYSA-N	249.398	4.684	0	10	BJAE	
C[C@H](N[C@@H](C)C1CCC(C)(C)CC1)C1CC=CC1	2070809825	DEFFHQILMPVCFV-KBPBESRZSA-N	249.442	4.536	0	10	BJAE	
CCN(CC1(C(C)C)CCC1)c1ccccc1C	2071919227	YWUQLXXBVFIWQB-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CC[C@@H]1CC[C@](CNC2CC2)(CC(C)=C(C)C)C1	2072407257	FUKNROAXRTUHIM-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@@H]2C=CCCCC2)C1	2072607693	JRRFQCXCTPMDNS-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@@H]2CCCC23CC3)CC1	2072796592	PVHJBFIBHJBYBC-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CNCC1(C[C@H]2CC[C@H](C)CC2)CCC=CCC1	2072797246	XRJLTGVCGQSNCU-WKILWMFISA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)[C@H]2CCCC3(CC3)C2)CC1	2072798110	GOBKATDKNBWDAK-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC23CC(N)C3)CC1	2072815962	QRMKANUSJMYIIF-WALXCBACSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)c1ccc(C2CCC2)cc1	2072913671	VRYCIARSVOBVIW-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)C1(CC2CC2)CCC1	2074641366	IVTOMLXZNCPBHZ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(CC)c2cccc(C)c2)C1	2074893582	VQUNCUDTMODWPE-DOTOQJQBSA-N	245.410	4.790	0	10	BJAE	
CCCC1CCC(CN(C)[C@H]2C=CCCC2)CC1	2075084043	IDUASCLWAQLRKB-JCYILVPMSA-N	249.442	4.633	0	10	BJAE	
CC1(CC(=O)[C@H]2C[C@H]2C2CCCCCC2)CCC1	2079490476	BTERZSOVFVNYTD-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@]12CCCC[C@@H]1CCC2	2079840678	DKIDRYAXSUTEEP-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CCc1ccccc1[C@](C)(O)C[C@H](C)CC(C)C	2081206277	KMIGYLXTMPPDFC-RHSMWYFYSA-N	248.410	4.529	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)CC2C[C@H]3C[C@@H]3C2)C1	2082982615	MAKOSYMNQCXJAY-SNPRPXQTSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C1(CC)CC1	2214569129	LKRVPSCPWJRPLC-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1CC[C@@H]1C	2215119806	ZJTFTDDYPZPSCI-WFASDCNBSA-N	232.367	4.543	0	10	BJAE	
CC1(C)CC(C)(CC[C@@H](O)CC2CCCC2)C1	2215380741	XTSBHULONCXUSZ-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CN[C@]1(C)CC=C(C)CC1	2215794942	ASJLVZWZUXLZQR-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CN)CC=C(C)CC1	2215827270	UTZWWCSBDFHGHI-HOTGVXAUSA-N	237.431	4.668	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CCC[C@@H](C(C)(C)C)C1	2216255716	FCJQAQGOIDJBLC-QNQFUXMYSA-N	238.415	4.700	0	10	BJAE	
CCC(=O)[C@H](C)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216736022	FVUNTISEJLVPES-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CCCCCCCC1CC1)[C@H]1CCCN1	2216878966	GOTLHFYTKRHEDW-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)[C@H](C)CCC(C)C	2217146999	FPANHCZSBZTJGX-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H]1C[C@H]2CCC[C@H](C2)C1	2218330704	BFLRGKIJDLALTO-WCXIOVBPSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CCC2)CCCC12CCC2	2223588384	HCRGNWWLHMWEGS-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](O)(CC)CC[C@H]1CCC[C@H](C)C1	2242790278	IRKGJVSIVCCHLE-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCCC(=O)c1csc(C2CC2)c1	2243499879	BRJUTIAGTLFOTM-UHFFFAOYSA-N	234.364	4.555	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1(CCC)CCC1	2244783749	RIGDHYHMUIDSDG-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)CC(C)C	2244837954	RXXVPIBFSQBPML-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
CCCCCC(=O)CC[C@H]1CCCCC12CC2	2246628152	WJRIOQFTCRWJEI-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
CCC1([C@H](O)CC[C@H]2CCC[C@@H](C)C2)CCC1	2246696542	RTCVYUAVHKDXOJ-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC[C@@H]1CCCC12CC2	2247636475	LWWSWWSDTRHTRR-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC1(C[C@@H](N)c2csc(C3CC3)c2)CCC1	2248060629	HMGOIYKPBJLMMK-CYBMUJFWSA-N	249.423	4.596	0	10	BJAE	
Cc1cc(C(=O)CC2CCC2)cc2ccsc12	2248570816	CLLDQPGNSJFUAM-UHFFFAOYSA-N	244.359	4.583	0	10	BJAE	
CCCCCC[C@H](O)CCCCC[C@@H]1C[C@H]1C	2248846953	WYDUUIWFUPSBLO-OAGGEKHMSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC(C)(C)C(C)(C)C	2248873224	URWZRYLCDSZUCB-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC(=O)CCCCC[C@@H]1C[C@@H]1C	2248879665	NYFATMRRGZZXFF-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)CCC1CC1	2250473194	DGJLJMHCAQNRIP-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@]12CCCC[C@@H]1CC2	2251162374	KOCJRFWJSSEFEG-CJNGLKHVSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@@H](O)C1CC(CC(C)(C)C)C1	2251530577	AVPZETZMKQUCCF-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CC1CC(C[C@](C)(O)C(C)(C)C)C1	2251583237	UDWJGEAFOUZDAH-ZUEPYMLJSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(-c2nc(C(C)(C)C)c(C)s2)cc1	2252759705	ULWHYLFSXPAGIO-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
Cc1cc([C@H](N)CC[C@@H]2CCC[C@@H](C)C2)c(C)o1	2253925382	VHBYEEJUJNOIDJ-DIOULYMOSA-N	249.398	4.503	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2CC23CCCC3)C1	2253925760	WHJDHPBXAJWIIC-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)[C@](N)(CC2CC3(CCCC3)C2)CCC1	2254110611	VBWREJYKGVXMPJ-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CCCC[C@@H]1C[C@H]1C	2254576392	GUSBZIOQPBHMPS-JZAWBGDQSA-N	249.442	4.523	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@H]1CCC1(C)C)N2	2254858227	WHPKVMYDQRTXAQ-HUUCEWRRSA-N	243.394	4.548	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC2=CCCCC2)CC[C@@H]1C	2255136796	KJIDHKUBPCYKFP-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)C[C@@H]2CCCC23CC3)CC1	2255228286	RYXFOJWHSUGVFP-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)[C@@H]1CC12CCC2	2256410198	KJBXACMHXRAVHF-ZFWWWQNUSA-N	243.394	4.548	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CNC12CCCC2	2259611849	CBMGIFQCYPVKMP-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@H](N)[C@@]23CCCC[C@H]2CC3)CCCCC1	2260509190	UFSIHSFLSVFVIC-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@](N)(C[C@]23CCCC[C@H]2CC3)C1(C)C	2260678571	LWYRJUZCZJVDHS-XKQJLSEDSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccnc(C(C)(C)C)c1	2260747105	XHJYPRMIEOAXDE-CYBMUJFWSA-N	248.414	4.760	0	10	BJAE	
CCCN[C@H](CCC1CC(C)C1)C1=CCCCC1	2261498579	ZDHOXKQZOATAFV-VMBOVVBDSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)CCNc1cc(C(C)C)ccc1C	2300465151	FMVCDZGYUCIJDG-CYBMUJFWSA-N	233.399	4.967	0	10	BJAE	
O[C@@H]1CCCCC[C@H]1CCCC1=CCCCC1	2302351566	JYPNIUXNOMCWAE-JKSUJKDBSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](O)CCCCC2CC2)C1	2302719284	AZZFXEYWKGKRID-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C[C@@H]1CCC(C)(C)C1	2302752242	BWHIBTHURXNZQI-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C[C@H]1CCC(C)(C)C1	2302902216	NPHCWWKCQUITSG-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1CC[C@@H]1C(C)(C)C	2303393175	NTILMZUTRSSNPG-RDBSUJKOSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)CN1CC(C)(C)CC1(C)C	2303708038	DNXAGDKYDZNJOA-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
Clc1cc(C2=CCCCC2)nc2ccccc12	2304031359	XFQMRORLGIIWBY-UHFFFAOYSA-N	243.737	4.846	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CC[C@H]1CCC(C)(C)C1	2304432480	VUNCSJHHXJHDTH-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@](C)(N)C2CCCC2)C1	2304437032	VJAYECATKMBNHH-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)C(C)(C)C1CCC1	2307908729	IEQPPNPEASQOSZ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C[C@H]1CC[C@@H]2C[C@H]12	2308937107	NRINHVLMZDARRT-KCYZZUKISA-N	246.394	4.518	0	10	BJAE	
CN[C@@H](CCC1CCCC1)CC[C@@]12CCC[C@@H]1C2	2310374836	GQPMBGCGOUREJG-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CCC1)[C@@]12CC[C@@H]1C2	2310752386	NIDYHDBKGTYVNU-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C[C@@]23CCC[C@@H]2C3)C1	2312670490	OZHSGHJNXWCQJB-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCC1	2312906443	YNQASAPKIVFZCI-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@]1(N)C[C@H]2C=C[C@@H]1C2	2313232463	CINJZJBGPUVNSA-YYIAUSFCSA-N	249.442	4.523	0	10	BJAE	
C[C@@H](CC1CCC1)N1CC[C@]12CCCC(C)(C)C2	2313612173	KWEJEWXKKMLPGM-YOEHRIQHSA-N	249.442	4.610	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@]1(C)C[C@@H]1C	2317904792	RPORXDMRXSKRIS-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@H](O)CCC[C@@H]2C[C@@H]2C)c1	2318927569	JAERIYJCIAJIHI-YSVLISHTSA-N	246.394	4.670	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)CC1CCC2(CC1)CC2	2318932617	WWNUUFAAFMEGSJ-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC2CC3(CCC(N)CC3)C2)C1	2319138390	KWTQNDKKMMJWNL-DPGVGJJJSA-N	249.442	4.501	0	10	BJAE	
C[C@]1(C(=O)CC[C@@H]2CC[C@H]2C2CC2)C=CCCC1	2319697599	AATLCSJAIQAFKJ-ZOBUZTSGSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CNc1ccc(CF)cc1	2320318685	VCYVFMKSVRQGRK-DZGCQCFKSA-N	249.373	4.640	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@H](CC1CC1)C1CC1	2320701608	ZFGSNNUMDUKCPC-DLBZAZTESA-N	249.442	4.501	0	10	BJAE	
CCC[C@]1([C@H](CC2CC2)C2CC2)CCCCCN1	2320779858	RZXAFDGSVJRBPQ-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)[C@H](CC1CC1)C1CC1	2320817674	XWMBJJPPLPJFKE-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](CC)[C@@H]2CC2(C)C)c1	2321089373	MJRWZOTZNGTCIR-GJZGRUSLSA-N	249.373	4.625	0	10	BJAE	
CCCC1CCC(CC[C@H]2CC3(CC3)CN2)CC1	2321250444	RQUFFQHIBOJNAG-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)[C@H]2CCCC23CC3)C1	2321602556	IWMORUMLAQVUAH-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)CN1C[C@@H](C)[C@@H]1c1ccccc1	2328083609	NYQSWKYTJNPYPB-HLLBOEOZSA-N	245.410	4.506	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccccc1C1CC1	2328273506	CLCIFUGVAOZHLO-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CCC[C@H](C)N[C@@H](C)c1ccc(C(C)C)cc1	20545017	ZUZRVTDJPRDRGP-KBPBESRZSA-N	233.399	4.649	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC[C@H]2C)c1	21011233	IMFKVWVVPAZCNS-CZUORRHYSA-N	231.383	4.801	0	10	BJAE	
CCCc1ccc([C@H](N)CCC2CCCC2)cc1	21512902	PUIHDPVVTRNDRT-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCc1ccccc1N[C@@H]1C[C@H](C)CC(C)(C)C1	21520572	ZYDYOWNQTMNOJA-DZGCQCFKSA-N	245.410	4.876	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1C)[C@H](C)CCC	35579522	FQIAHWCWQSVCFD-PBHICJAKSA-N	247.426	4.780	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1ccccc1F	36664965	IXWCUXWJSGNYJU-XJKCOSOUSA-N	249.373	4.698	0	10	BJAE	
Cc1cc(C(=O)CCC2CCCC2)c(C)s1	36943931	DAYIWEAVCYOIOR-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CC[C@H](C)CN[C@@H](C)c1ccc(CC(C)C)cc1	36954605	CIYJCKURORQCFK-GJZGRUSLSA-N	247.426	4.582	0	10	BJAE	
CC(C)c1ccc(-c2cccc(Cl)c2)cc1N	41296789	FOEXKNPYQFNJAK-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)c1ccc(CC)cc1	69372604	VTIJQUNMJLGSMX-YOEHRIQHSA-N	247.426	4.868	0	10	BJAE	
Cc1ccc(N)cc1-c1ccc(C)c2ccccc12	79905344	DCJJNTPULPIDFK-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CC(C)(C)CCNc1cccc(C(F)(F)F)c1	83373914	FHXZVDOVQRERLP-UHFFFAOYSA-N	245.288	4.554	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CC2CCCC2)CC1	86940708	BRBAQJYRKYLYIT-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(F)cc(NC2CCC(C(C)C)CC2)c1	91510167	BNNSNCNSFPWMGP-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@H](C)Nc1nc2c(C)cccc2s1	91945858	FPPCIHHJJVQCPN-NSHDSACASA-N	248.395	4.595	0	10	BJAE	
CCC[C@H](NC)c1ccc(Cl)c2ccccc12	93655989	WVHZXJXRYQQRQM-HNNXBMFYSA-N	247.769	4.554	0	10	BJAE	
CC(C)c1ccc(C[C@@H]2CC2(Cl)Cl)cc1	105443200	IDJAWTMJIIMJFS-GFCCVEGCSA-N	243.177	4.546	0	10	BJAE	
Cc1cc(C)c(-c2c(N)sc(C)c2C)c(C)c1	105555199	UVBXTPMDEFDSLV-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCN[C@@H](c1ccc(C)o1)C1CCCCCC1	110226824	PQAGRPZGEVIKJG-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H]1CCCC[C@@H]1CC	111746833	RPZNGHLVJQYOKJ-BHYGNILZSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CC(Nc2ccc(F)cc2)CC(C)(C)C1	124726885	QWXQNSBFWDHISX-UHFFFAOYSA-N	249.373	4.843	0	10	BJAE	
CCc1ccc([C@@H](NC)C(C)(C)CC)cc1CC	127996408	JTQVELHZDYQOBY-MRXNPFEDSA-N	247.426	4.508	0	10	BJAE	
CCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CN	132239098	VVPWEZDEAWWSKZ-RBSFLKMASA-N	239.447	4.604	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)NC2CCC(C)CC2)c1	132414088	ZJDGLRGSGWOHQR-YAJUMTOWSA-N	245.410	4.533	0	10	BJAE	
CC(C)=Cc1ccc(Br)cc1Cl	143432668	JGGJREZVCMZGOL-UHFFFAOYSA-N	245.547	4.526	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@H]1C(CC)CC	155814520	XIHLEDQOQDWCNN-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(C(=O)C2C[C@H](C)C[C@@H](C)C2)c(C)c1	166022242	DBGNDGPFPJEBSK-CHWSQXEVSA-N	244.378	4.558	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCCC[C@H]1C(C)C	214575687	OPBGRTMMNQZFED-XJKSGUPXSA-N	249.373	4.761	0	10	BJAE	
C[C@H]1CC[C@H](NC(C)(C)CC(C)(C)C)[C@@H](C)C1	221913300	XBUDBFVYJLYVGT-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)CNc1c(C)cccc1F	225004844	QHNXZWCMCZLXBF-ZDUSSCGKSA-N	237.362	4.762	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCCCC1(C)C	226783274	NZBDIIDAJHEZTC-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](CC(CC)CC)CC1CCCCC1	229157200	XLSICLCXDFEGLJ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](N[C@@H](C)CC1CCC1)c1ccccc1	229683059	UTBBSDURXVOXAS-WMLDXEAASA-N	245.410	4.696	0	10	BJAE	
c1ccc2c(C3CCCCCC3)c[nH]c2c1	232452760	MELKBOYSAYNOOO-UHFFFAOYSA-N	213.324	4.606	0	10	BJAE	
CC1CCC(c2ccc3c(c2)CC[C@@H](C)N3)CC1	232823647	SKEJLJSXKGUFNW-ROKHWSDSSA-N	243.394	4.727	0	10	BJAE	
CCCCCC[C@@H](NC)C1(C)CCCCC1	232963743	NXYZIBBWVDFAEC-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1c(C)cccc1C	232977038	FROKYYKJAYQLHX-CVEARBPZSA-N	247.426	4.910	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H]1CCC[C@@H](C)C1	233131433	FNITXVMMWCVRPD-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)[C@H](CNC(C)C)c1ccccc1C	233346091	WXDXFWVDLGSMLC-YOEHRIQHSA-N	247.426	4.513	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1ccc(C)s1	238221318	RWMWIHGYZQFOCE-NNNHXZLVSA-N	208.370	4.906	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@H]2CCCC[C@H]2C1	252216449	XUXVYOVPLUKOSX-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CCSc1ccc(-c2ccc(NC)cc2)cc1	259283429	PKKCGPQCMMNAOY-UHFFFAOYSA-N	243.375	4.507	0	10	BJAE	
C1=C/[C@@H](n2ccc3ccccc32)CCCCC/1	305942642	GENBPXOXQGACNZ-BCFOUKGLSA-N	225.335	4.703	0	10	BJAE	
CSc1cc(C)c2scc(Cl)c2c1	307107541	LAIRAVLAJAZKIB-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1cc(CC)c2sccc2c1Cl	307647247	DPKPJUSMAMSWSA-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C[C@H](C)CC(C)C	308062997	UMYPYJDMIYBMJY-OAGGEKHMSA-N	241.463	4.848	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1ccsc1C	308103896	HXULQFUESZDESP-GFCCVEGCSA-N	238.396	4.702	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCC(C)(C)C2)CC1	310137362	MIDBBQCJBHHBMG-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC1CCC(C)(C)CC1)NC	310397473	JZEODYPZOJRKHH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](N)c1ccccc1C(C)C	310430577	NBDCXILGYWHOJG-MRXNPFEDSA-N	233.399	4.780	0	10	BJAE	
CCN[C@H](CC1CCCCC1)CC1(C)CCC1	310553211	XEOKSWSTLTUJDH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(F)cc1C(=O)C[C@@H]1CCC[C@@H](C)C1	310963139	HBCCJPGTPPUVLF-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
CCNCC1(CCC2=CCCCC2)CCCCC1	317297140	LZLYRSDVVZJKJV-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](CNCC(C)C)CC(C)C	319097959	DLWDLTDXBHNSEC-XHSDSOJGSA-N	241.463	4.577	0	10	BJAE	
CC[C@H](NCCCCCCC(C)C)[C@H]1C[C@H]1C	321123017	SGHPIBYZWWFNIO-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H](N[C@H]1CCC12CCCCC2)C1CC1	324467537	ZEWMERMJUSRLEL-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCCC)C(C)(F)F	328307090	ZBXTZOYRZMNITQ-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@H](C)CCCC(C)(C)C	379626237	GQMMUMQYUCXEFV-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)C[C@@H](C)CC(C)C	382678431	CYJPMNSDMKUZRE-HNRFISLBSA-N	239.447	4.783	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)[C@@H](C)C1CCCCC1	384007291	NWTVAONISHHQBW-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
Cc1cc([C@@H](N)C[C@@H](C)C2CCCCC2)c(C)o1	386197827	KUYDKGJEPAGJKB-BZNIZROVSA-N	249.398	4.503	0	10	BJAE	
CC[C@H]1CCC[C@H]1NC1CCC2(CCCC2)CC1	388621109	FMOLEXHDYHCAQL-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H](/C=C(/CNC2CC2)C(C)C)C1	394530622	XLNYTBQOISWSGX-RKUWFUAISA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c2c(C(F)(F)F)csc2c1	396206239	ZVDNFZOIEIYSKP-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CC(C)(C)c1ccccc1NCCC1CCC1	398648490	AIBDFWCEBIOWSR-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CC(C)(C)c1ccccc1OCCC1CCC1	398932054	REDSIVTVQWBIQL-UHFFFAOYSA-N	232.367	4.553	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](O)CC2(C)CC2)cc1	401374231	XFVJBLOVSGPNJJ-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1CC2CCC1CC2	691153102	QMSOJSHFQFOPML-AEFXTWNNSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1N[C@H]1CCCC2(CC2)C1	695718946	XOUGMOKOHGRVDH-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NC2C(C)(C)CCC2(C)C)c(F)c1	699620920	KMDGPMTWLPVAMB-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCC(C)(C)c1csc([C@@]2(C)CC2(C)C)n1	702139112	KTFNNMZSVPOUKF-CQSZACIVSA-N	237.412	4.518	0	10	BJAE	
CC1(C)C[C@]1(CCC1CCCCC1)CNC1CC1	702202482	BEVSEFKUTAPQSG-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CCCC(C)(C)C	704902594	JEYXSDNGSATAOS-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(C(=O)C2CC(C)(C)CC(C)(C)C2)co1	706353226	IOOFSHGJQAHPDW-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
Cc1cc(C(=O)C2CCC(C(C)(C)C)CC2)co1	706357011	UQAOXYAPFCYPML-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
CCSc1ccccc1N[C@H]1CCCC12CC2	706543029	GRLKKSCOBYTADP-AWEZNQCLSA-N	247.407	4.543	0	10	BJAE	
CCC1([C@H](O)C[C@@H](C)CC(C)(C)C)CCCC1	709121667	DVSAOPKRZRWSCW-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCC12CC2)CC(C)(C)C	709126593	JRCJQKGBWCERTA-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C[C@@H](N)CC1(C)CCCC1)C(C)(C)C	711113243	NEQKHVVAXCBTHV-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H]1CC[C@H](CC)C1	713175551	RHIXQQDUAAALSD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CCC)CC(C)(C)C(C)C	713221833	MCXNQFOPKNQPFI-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)C1(C)CCCCC1	713708248	FEFRPJYHEFZMBC-FYCOFBDGSA-N	249.442	4.847	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1ccc([C@H]2C[C@H]2C)o1	718683732	DIRMFESLUKOLNO-RDBSUJKOSA-N	248.366	4.573	0	10	BJAE	
CC(C)C[C@]1(CNC(C)C)CCC=CCCC1	719078962	RMVORIAICXSJEB-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2CCCCCC2(C)C)C1	719290638	XMSBSXPRPTVLEP-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CC)CC(C)(C)CC	723112686	HHAKEBNXACQWBF-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C1CCCCC1)C1CC1	724012068	VKVRUCMOTJSRIR-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CCC[C@H]3C[C@@H]32)n1	821965106	KBGOQBMOXKMMHR-YFKTTZPYSA-N	235.396	4.560	0	10	BJAE	
C[C@H]1CCCC[C@H]1CSc1ccc(F)cc1	1164453306	DHNVIQDSSRGVAY-RYUDHWBXSA-N	238.371	4.744	0	10	BJAE	
C1=C(CCN[C@H]2CCCC23CCC3)CCCCC1	1205276574	KKWICYJMEOPZEA-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CC(C)CCC[C@@H](C)N(CCF)CCC(C)C	1307506092	AZMBGDAXMHMYOX-OAHLLOKOSA-N	245.426	4.519	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCC(CC)CC	1900700752	BMOQFGNDOVBCBP-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H](C)[C@H](C)C(C)C	1901624908	KLYCKLWEUKXZQR-OLZOCXBDSA-N	226.404	4.700	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1cccc(F)c1Cl	1901719964	IDTWDOJGUSIFAP-NXEZZACHSA-N	243.753	4.572	0	10	BJAE	
CCCCCCc1cscc1[C@H](C)NCC	1901876205	WLODRJQKTMUYQP-LBPRGKRZSA-N	239.428	4.541	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@@H]2CC[C@@H]21	1909757743	JNGXCTVWDUAOQN-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
C=CC=CCC[C@@H](NCC)C(C)(C)C(C)(C)C	1911859557	FFEFDNHILGSVGM-CQSZACIVSA-N	237.431	4.559	0	10	BJAE	
CC(C)C[C@@H](C)N[C@@H]1CCC2(CCCCC2)C1	1915856265	YHODIIUFRDLHFK-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@@H]1CC(CC)CC	1916013615	HOCCAGWYNUTBIY-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H]1CCC2(CCCC2)C1	1916416237	XSXWJHMZCOPSEN-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H](C)c1ccccc1	1920206141	YPNPTQYDBAYZLB-YQQAZPJKSA-N	247.426	4.724	0	10	BJAE	
CC[C@](C)(CC[C@H]1CC1(C)C)CNC(C)(C)C	1921423126	BGUWOWUATHKMGI-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)CCC1CCCC1	1924125788	OHUAJEOWAFAPPV-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCO[C@@H]1C[C@@H](C[C@H]2C=CCCCC2)C1(C)C	1925823049	COWVBBCMOKFMDO-RRFJBIMHSA-N	236.399	4.574	0	10	BJAE	
CC(C)(C)[C@H]1CCCC(=C(F)F)CC1	1927562494	XILIFKRKMNFINQ-JTQLQIEISA-N	202.288	4.763	0	10	BJAE	
CCCc1csc([C@H]2CCCC3(CC3)C2)n1	1936184849	YMWFIJSCYDFJEQ-NSHDSACASA-N	235.396	4.533	0	10	BJAE	
CCCCCC[C@H](N)[C@@H](CC(C)C)C(C)C	1936209294	NBPPFNXDGNAPQW-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](CC)CC1CC1	1939406740	MVDPAPCJNPPEKA-CABCVRRESA-N	225.420	4.514	0	10	BJAE	
Cc1ccc(OCc2ccc(Cl)cc2C)cc1	1940676845	UVGPMUISKCXFFN-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)[C@@H](C)CCC	1940855065	CIGDPHXNPRYDCP-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)CCCCCC1CC1	1941579581	PRENNQAGUCHUJD-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC([C@@H](O)[C@H](C)CCC(C)C)CC1	1942656715	DRZANJISEYHSMJ-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@H](C)C(O)(CC(C)C)CC(C)C	1942662502	OAUFXBJFEDSTJO-HNNXBMFYSA-N	242.447	4.882	0	10	BJAE	
CC[C@H](NC[C@@]1(C)C=CCCC1)c1cccs1	1943134872	GMHPMNQEZLIWGW-ZFWWWQNUSA-N	249.423	4.535	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@@]12CCCC[C@@H]1CCC2	1944155364	DNMXWAQJTTWLQN-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(C)(C)CCNC(C)(C)C	1944843650	SXGHVXOYVKJWGF-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CNC(C)(C)C1CCCC1)CC(C)(C)C	1945381383	DEOLVLZGPSTZMT-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](C(=O)c2sccc2C2CC2)C1	1945601900	YIPBJELFVTZJEJ-NSHDSACASA-N	248.391	4.635	0	10	BJAE	
CC(C)CC(C)(C)NCC1CCC(C)(C)CC1	1947013289	ATBJTIRZEMEGBH-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)C[C@@H]2CCCCC[C@@H]2C1	1947844122	ZZRPSYMBNWXDGO-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(O)(CCC(F)(F)CC)CC1	1947890553	NJUQMNUGLVMTLW-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CC(F)(F)CCC(=O)C(C)(C)C1CCCCC1	1948044529	KFEODBLROQITPE-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(CC)[C@@](N)(CC)CC1CCCCC1	1949085431	DSWRYFIBAADDPU-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@H]1CCC(C)(C)C1	1949553656	ZZXUHNIBWHFKEY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)NCCC1CC2(CCC2)C1	1949859780	OBAYQIPDDBNCJZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)CC1CCCC1	1949866700	NAADCBNBVRDHFX-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
O[C@H](CC1=CCCCCCC1)CC1CCCC1	1949871718	ZCTXJERJMZMWPC-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCCC[C@@H](N)CC1CCCCC1	1949913302	AEOHGEUOROHVFZ-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(CC2(C)CCCC2)CC1	1950928849	BHBAUYUNNBYVJG-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CC[C@@H](CC[C@H]2C=CCCCC2)C1	1957986640	MCRBBFXAOGNDDR-ILXRZTDVSA-N	206.373	4.949	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@H]2CCCC[C@H]21	1967700408	XSNQKCGECFBQSC-YLFCFFPRSA-N	249.442	4.680	0	10	BJAE	
CSc1ccc(N[C@H]2CC[C@H]2CC(C)C)cc1	1968457436	ZSROJQFVILRWIE-WFASDCNBSA-N	249.423	4.645	0	10	BJAE	
C[C@H](N(C)CC[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	1969040059	MXRXZXQHIGWVFH-ILXRZTDVSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)CN1CCCCCC[C@H]1C	1970723968	UBHMWGSBPMOVFS-CVEARBPZSA-N	239.447	4.857	0	10	BJAE	
CCC/C=C/CNc1c(Cl)cccc1Cl	1974576101	PHJNYXRYONIHON-SNAWJCMRSA-N	244.165	4.762	0	10	BJAE	
CC1([C@H](O)c2cccs2)CCCCCCC1	1981417021	WIACRPGNCRCDES-CYBMUJFWSA-N	238.396	4.532	0	10	BJAE	
CCC(O)(CC)CCC1(C(C)(C)C)CCC1	1989446653	FPFJLPZPBSTQRL-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](O)CC1CCC(CC)CC1	1989776984	IQMGEDGAKPVFSR-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@H](C)[C@H](C)CC	1995262208	LOPHUWPIODIYDI-YJNKXOJESA-N	227.436	4.602	0	10	BJAE	
CC[C@@H](C)Cc1coc2cc(C)c(C)cc12	1995463558	LNZNGDBWCIHXTN-SNVBAGLBSA-N	216.324	4.638	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NCCC1CCCC1	1997426428	NDDKZRHDJIBTKJ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC(O)(CCCC2CCC2)CC1(C)C	1997805562	VZTCDKKUTIEKGH-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](NC)C1(C)CCCCCC1	2000337103	YMYHZQGEDMPRPF-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@@H](C)[C@@H](N)CC(C)C)CC1	2002921987	TZIMPZFRHVAXBO-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](O)C(C)(C)C)CC1	2003101508	XDZSWUXWYJXOON-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H](C)C1CCCCC1	2004227749	AAZDCWXDUUIJJH-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@@H]3CC[C@H]32)c1Cl	2004797489	OEUYSOGFCRUDCF-JHJVBQTASA-N	249.785	4.639	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H](CC)CCCC	2009599059	VKXXWRSNANACMT-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@@H](C)[C@H](NCCC)C1	2009615778	BWDHQQIKTJRJRG-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C=C=CCC[C@@H](NCCC)c1cc(C)sc1C	2010975033	HWHLSQLHGIZUPF-OAHLLOKOSA-N	249.423	4.527	0	10	BJAE	
C=C=CCC[C@@](CC)(CCCC)CNC(C)C	2010984150	BBFBJSVKFBWHRU-MRXNPFEDSA-N	237.431	4.692	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC1CC(=C2CC2)C1	2011069727	YZUWFCCUHRHNFZ-NSHDSACASA-N	234.383	4.518	0	10	BJAE	
C/C=C/CCCN[C@@H]1CCC[C@@H](CC(C)C)C1	2011438913	VIWFHIHOYLGPOZ-CGFBPQRUSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(CC[C@@H](C)CNC(C)(C)C)C(C)C	2015408543	KFQCPCUSADVEAM-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@@H]2C[C@H](CC)CC[C@H]2O)CCC1	2015632182	JPKSPRCINOVYGL-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1(CC2CC2)CC1	2015749982	HMZOBDMZCCPLGK-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)[C@H](C)CC(C)C	2016144520	KBFBMXPEHYKANU-OWCLPIDISA-N	239.447	4.782	0	10	BJAE	
CCC1CCC(CC[C@@H](CC(C)C)NC)CC1	2017721809	LSSNWTIVBMCAED-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)Nc1cc(F)ccc1F	2018127783	NVACYJMPUIHZCO-LBPRGKRZSA-N	241.325	4.736	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H]2CC[C@H]1C2	2018131169	MZVLETXEOLAIHW-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@](C)(O)CC2CCCCC2)CC1	2018965376	QLFMOEITLLAKBX-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)[C@@H](CC)CC(C)C	2018990638	NYLJWYNDLDNLQZ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@@H]1C[C@@H](C)CC(C)(C)C1	2019386481	QJYOFUMHJVYWNQ-CBBWQLFWSA-N	239.447	4.568	0	10	BJAE	
CCC(C)(C)CN(CC(C)C)C1CCCCC1	2020537999	VTFHYQVMKBKXFM-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCCCC1CC(O)(C[C@H]2C[C@H]2CCC)C1	2022452863	ANVNNBZXGAYMMR-LVDPKSTMSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1C[C@H]1CCC)NCC	2022485815	UOVSODPHMZKDBL-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)C1CCCCCC1	2022553905	KHFJCEJWOLXGKC-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(CC[C@@H]1C(=O)CCC[C@H]1C)C(C)C	2024612073	BQMCDRYPOBJWNU-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@H](C)NCCC1CC(CC)C1	2025375333	VGHZMUJSJOUFQS-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1CC(C)(F)C1	2026071919	BNGFSMXWXGQTGQ-OPFPJEHXSA-N	242.378	4.690	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C1=CCCCCC1	2026141857	GUNSUGZKKNFMCV-GOEBONIOSA-N	238.415	4.844	0	10	BJAE	
CC1(C[C@@H](N)C23CCC(CC2)CC3)CCCCC1	2027313726	INJGALUPJOHAFR-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CC1(CCC[C@H](N)C(C2CCC2)C2CCC2)CC1	2027820679	IWASDQQPAZMYJB-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC(C)(C)C)c1ccc(C2CC2)cc1	2028590381	JENHOQJMVPDZOP-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CN[C@H](CC1(C)CCC1)[C@]12CCCC[C@@H]1CCC2	2031754105	GZLBHLZWPBKWDV-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC2(CN)CCC=CCC2)C1	2031827408	MIUNUNRARONYJH-ZSHCYNCHSA-N	249.442	4.524	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1N[C@H](C)c1ccccc1C	2035418523	BCVKGLKAVGKFDX-VYDXJSESSA-N	245.410	4.614	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCC1)C1CCC(CC)CC1	2035589743	HVJIVPXIPVFXRD-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@](N)(CCCC1CCC1)C2	2036661458	PVOJVRKNAHCBNF-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@](C)(N)c1ccc(C(C)C)cc1	2037146718	KKBITHFCZUGUAA-KRWDZBQOSA-N	245.410	4.730	0	10	BJAE	
N[C@@]1(C[C@H]2C=CCCC2)CCC2(CCCCC2)C1	2037306417	OOEWHIHAPBGPHP-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@H](N)[C@@H]([C@H]2CCC3(CCCC3)C2)C1	2037685592	HIBDBSLDBDBFCA-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C=C2CCC[C@@H](CCN)C2)CC1	2038861151	DKKKNXUYQRKBNM-AWEZNQCLSA-N	249.442	4.668	0	10	BJAE	
CCCc1ccc(NC[C@H]2CC23CCCC3)cc1	2039090364	BEUYFYCZBMSTKO-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
CCCC1(CN[C@H](C)C23CCC(CC2)C3)CCC1	2039858904	GCBOQBQNNFGLNE-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CC2)C1)C1(C)CCCCC1	2039861782	ILLYMHUXVBWVPF-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](NCC)[C@@H](c1ccccc1)C(C)C	2045762607	BABIINDGVGRTQI-DLBZAZTESA-N	247.426	4.595	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1)C(CC)(CC)CC	2045798789	FSIBDYLMQWWBIY-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCCCN(CC1(C)CCCC1)c1ccccc1	2046576286	AELVNQBOTVKZAI-UHFFFAOYSA-N	245.410	4.873	0	10	BJAE	
CC1(CNc2cccc(C3CCC3)c2)CC=CC1	2047721379	MMFYDAZNTYCEBZ-UHFFFAOYSA-N	241.378	4.722	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)C1	2048467222	MFGDMTMNMKDTKU-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@H]2CCC23CCC3)C1	2048610218	HGKDFKHXUVZWFI-ROKHWSDSSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)[C@@H](C(=O)CC1(C)CC1)c1ccccc1	2048875418	WCTKHMUFTJHJIK-CZUORRHYSA-N	244.378	4.576	0	10	BJAE	
CCCC1CCC([C@](C)(N)C[C@H]2CC23CC3)CC1	2049486015	YEBCUBOAETZLLB-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)[C@H]1CC[C@H](C)CC1	2049636617	MFBFFUSGXXUIMO-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC1CCC2(CC1)CC2	2049846055	PFLALRMCGCAHKG-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C[C@@H]1CCCC2(CC2)C1)C1CCCCC1	2049852613	CHIBCDSZEIFHJV-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCCC3(CC3)C2)C(=O)C1	2049949315	YCRGVYCEBKTPKL-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@]2(C)C=CCCC2)cc1C	2050010829	WUFCQMBNZHAEQB-KRWDZBQOSA-N	242.362	4.541	0	10	BJAE	
CCN[C@@H](CC=C(C)C)c1ccc(C2CC2)cc1	2051403126	LAGRNSJCDVLHML-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCC[C@H]2CC[C@H]21	2052279446	ITRNQFGPIGHJHT-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(CN)CCCCC12CC2	2053410162	IZJRHOLBUHPHKE-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(CN)CCCCC12CC2	2053419905	WFCQJGORGVWCIX-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@@H](C)C1CCCCC1	2053661547	GFQXYDNFSIATKP-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@@H](N)[C@@H](CC2CCC(C)(C)CC2)CC1	2055526115	LCZMCVAPFREECA-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](N[C@@H]1C=C(C)CC1)C1CCC(C)(C)CC1	2055846924	XNMJOWSKCNVRNR-JKSUJKDBSA-N	249.442	4.680	0	10	BJAE	
CC1CCC(C)(CN[C@@H]2C=CCCCCC2)CC1	2056536893	SGAHJGOOIUBXLZ-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CNCC1(CCC(C)=C(C)C)CCC2(CC2)CC1	2056558357	FGAKGWDVYBPSRP-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC1CC(C2CC2)C1	2056671548	MQQJJQZKUMHWHJ-FQSHHYAASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@]1(C)CC=CCC1	2056869652	CYBRZBIDEFVKOT-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)C1=CCC(C)(C)CC1	2061111921	AIZWLLMVEQJJNW-NUEKZKHPSA-N	249.442	4.667	0	10	BJAE	
CCC[C@](N)(C1=CC[C@H](CC)CC1)[C@@H]1CC1(C)C	2061113059	LHPXVZYGIULJOA-LXZKKBNFSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C[C@@]12CCC[C@H]1C2	2061610585	AUKXBNACNJQLSJ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NCC1(CC[C@]23CCC[C@H]2C3)CCC1	2061613888	BMZLZGWLVSBYKU-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCCCC12CC2	2062017037	LUTOARJPUNCLGW-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC2(CC(C[C@@](C)(N)CC3CCC3)C2)C1	2063203626	HZKPOXXHJNFEOT-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC(C[C@H]3CCCCC[C@H]3N)C2)C1	2063207127	CEYFBFIKBDKEJF-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CC(N)(C2CC3(C2)CC(C)(C)C3)C1	2063813312	PVZPZZQVWDVFKX-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@]12CC[C@@H](Nc3ccc(C4CCC4)cc3)[C@H]1C2	2065657392	MRZBBNPARHRVNJ-BRWVUGGUSA-N	241.378	4.555	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@@H]1C1CC1)C1(C)CCCC1	2067510697	XAAHGIJLMNKMTP-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068778136	YGNRSMDRHLFRFA-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C[C@H]1CC12CCC2	2069188352	CFWRNWPEDFEPBV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@H]2C2CCC2)c1	2071786025	LHIUQDAXFQDAKE-DLBZAZTESA-N	243.394	4.801	0	10	BJAE	
Cc1ccc(C(=O)C2(C(C)(C)C)CCC2)c(C)c1	2071925713	IBMLFRVBKHMEHV-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](CC2CC=CC2)NC)CC1	2072704711	QOIGZHPIJHICDS-XIRDDKMYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CCCC=C2C)CC1	2072876340	ZEGZWFAPGMSPRV-ULQDDVLXSA-N	249.442	4.811	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H]1C[C@H]1c1ccccc1	2073340798	HRFDRNKIKIGUFW-YESZJQIVSA-N	246.394	4.512	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@@]12CCCC[C@H]1C2	2074031338	YHHMZSLLLKBNKE-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
Cc1ccc2ccn(C[C@@]34CCCC[C@@H]3C4)c2c1	2074091092	NPOKJXVMKNVZHF-WBVHZDCISA-N	239.362	4.530	0	10	BJAE	
CN(C[C@@]1(C)C=CCCC1)[C@H]1C=CCCCCC1	2074808364	FDPDMCDHUNPEJA-IRXDYDNUSA-N	247.426	4.554	0	10	BJAE	
CN(CCC1CCCCC1)[C@@H]1CCCC2(CC2)C1	2074893834	XFMMNBVCDBDJCX-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C[C@@H]1C1CCC1)C1CCCCC1	2079334610	XALUZTLJUYWHCL-APHBMKBZSA-N	248.410	4.598	0	10	BJAE	
CCC1(NC[C@H]2C[C@H]2C2CCCCCC2)CCC1	2079651241	PAASOJZBXIGXBO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C)C=C[C@@H]1C[C@H]1C1CCCCCC1	2079703847	XFPJRTNLQNHANV-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCc1ccccc1[C@@H](C)N[C@@H](C)CCC(C)C	2081208664	HYLYEJLRLRPVHD-LSDHHAIUSA-N	247.426	4.724	0	10	BJAE	
CC(C)=CC[C@H](N)c1ccc2ccccc2c1C	2081780376	KAKDOZVRTZQFEM-KRWDZBQOSA-N	239.362	4.504	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@](C)(N)C2CC3(CC3)C2)C1	2082978836	JTWSVUJRZAEHKK-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(N[C@@H]2CC(C)(C)C2(C)C)ccc1F	2084360399	CSHMASGWDAHDLK-CQSZACIVSA-N	249.373	4.625	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@@H]2CC23CCCCC3)C1	2084997614	JTAAEJLUFITWFG-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CC(CC)C1)C[C@H]1CC=CCC1	2084997802	LEIHUHAWUKYNGN-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
F[C@@H]1CCCC[C@@H]1CC=Cc1ccccc1	2210661936	HLHBNKHEWQIERQ-HUUCEWRRSA-N	218.315	4.618	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC/C=C/c1ccccc1	2210662467	OVZCTRWUARSEOY-KRMKBSRCSA-N	214.352	4.916	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)c1scc(C)c1C	2213674188	CATJVIAFRCLAEU-GWCFXTLKSA-N	248.391	4.540	0	10	BJAE	
Fc1ccc(C/C=C/c2ccccc2)c(Cl)c1	2213825246	QYZZSKCYSCNSFB-QPJJXVBHSA-N	246.712	4.735	0	10	BJAE	
CC1(C)CC[C@H](O)[C@H](CCCCC2CC2)CC1	2214569091	MJZWXWKPFPDUPL-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)NCC1(CCCCC2CC2)CCC1	2214587009	YQDNHNSWOKTWDT-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCCCC(F)F)CC1	2216522485	QBZUUYKVEOINKB-CQSZACIVSA-N	244.325	4.518	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC(C)C)C1CCCC1	2217154292	SLOCQMHGBUGNTQ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218349041	JQRFAFQUCWAGAB-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCCC1(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218351774	ZEEGBKZTPQVZNJ-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1CCCC12CC2	2218722530	BMTBWMBIZMWRCF-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)c1ccccc1C(C)(C)C	2220642650	LPRLMHWXWQRWAT-CHWSQXEVSA-N	244.378	4.603	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC1(N)CCC(C2CCC2)CC1	2220880267	RKGXUYNFYQZNSE-PXZKZTPFSA-N	249.442	4.501	0	10	BJAE	
CC1(CN[C@@H]2CCCCC2(C)C)CC2(CCC2)C1	2220934961	GSKLSORICXDFGC-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1([C@H](N)CCCCCCCC2CC2)C=CCC1	2223110222	NEQVZEUTOHALSN-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](C)NCC1(C2CCCCC2)CC2(CC2)C1	2223553342	DMKFJQJINVXFLC-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CCC2)CCCCC12CC2	2223590706	ZIUBDHQLVWCGFH-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](C)(O)CC2CCC2)C1	2246696438	XMJZJUQQMHXWBB-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)CC1CC(C)(C)C1	2247173388	RUVWSODLIFUEFB-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cc(C=O)cc(C2=CCCCC2)c1	2247254630	JKMWCVSNTPXHAL-UHFFFAOYSA-N	228.335	4.580	0	10	BJAE	
CCC(C)(C)CC(=O)CCCCC[C@H]1C[C@@H]1C	2248865104	GUNPNXHCUMIJPT-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@H]1CCC[C@H]1C	2250487512	BKAAEQSDBVWNBT-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1(C)CC(C)C1)[C@@]1(C)C=CCCC1	2253770068	GDOGCNWVWDSQCM-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C[C@@H]1CCCCC12CC2	2253782837	PNDHQXMUCSLVLQ-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
O=C(C[C@@H]1CCCCC12CC2)C1CCCCCC1	2253783232	MJCKLQHZRQRRQS-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C2[C@H]3CCCC[C@H]23)C1	2253936900	GAJYYFDQYYKBEE-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C(C(=O)CC2CC3(CCCC3)C2)C1(C)C	2254113631	KCLSBXAGHAVTTL-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)[C@H]1CCCC2(CC2)C1	2254599063	SZCYYRTXOJAUME-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](C[C@@H]2CCC23CCC3)NCC)CC1	2255029069	YTCVIFVKTNPXIV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@]23CCC[C@H]2CC3)CC1	2260517065	QCXBURRBMVCNEM-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)C[C@@]12CCCC[C@H]1CC2	2260579441	REBAJMUSPCBVAJ-ZJOBFFGXSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@]23CCCC[C@@H]2CC3)C1	2260625741	SUIAPRHNISGINZ-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@@]23CCC[C@H]2CC3)CCCCC1	2260659782	ZCRBMOUDOVFJFB-XIRDDKMYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@@]12CCC[C@H]1CC2	2260678876	NTBGVXUGMMUUPT-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](O)C[C@@H]1C[C@H]1C	2298648404	IFSRYULAWHCFNI-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@@H](C)CC1CCC1	2298857995	LBKAYMMRPDWYKY-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)C(C)(F)F	2300463103	JIPBAVFFIGQMEY-LLVKDONJSA-N	241.325	4.574	0	10	BJAE	
CC(=CC[C@@H]1CC[C@H](C)[C@H]1O)CCCC(C)C	2300869575	KCMHHDFIZOISSS-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
CCC(C)=CCc1cccc(C(C)C)c1OC	2300929169	MRNDHKSKLLNBKF-UHFFFAOYSA-N	232.367	4.717	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C1(CC)CC1	2301146644	AMICMZRNTIVVEC-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)NCCC1(C)CCCCC1	2301834760	ASUFFXXNZUXWQP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
O[C@@H](C=C1CCCCC1)CCC1=CCCCC1	2301936085	SIGRCMQXJDPXNZ-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(N)C[C@H]1CCC=CCCC1	2301937322	DBKKOJHNFQJZQZ-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@@H]1CCC(C)(C)C1)NCC	2302674383	ACZSKOJZZPRERW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CCC(=O)C1CCCC1	2303506089	NPZSVPISRREZKT-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@H]1CCC[C@@H]2C[C@H]12	2307907622	MOEUVIALVUBRSQ-DSJMHWKBSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@]23CCC[C@@H]2C3)CCC1	2310752047	BAQNZFLNEVHNSC-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C[C@@]12CC[C@](N)(CCCCCCCC3CC3)[C@@H]1C2	2312600918	LXEKTZKFCZBEGI-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1C[C@@H]2C[C@H]1C[C@H]2N	2313233935	OPWDQKOKOUIEHL-QMCVQRASSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](c1ccc(C)c(CC)c1)[C@H](C)CC	2314703265	VFYUXCRMUUIVMH-CXAGYDPISA-N	247.426	4.644	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)c1ccc(C)c(CC)c1	2314714277	YOBLTDIRQAGFDT-PBHICJAKSA-N	247.426	4.644	0	10	BJAE	
CC(=CC[C@H](N)[C@H]1C[C@H]2C[C@@H]1C2)CCCC(C)C	2316558206	WMAIJJAZUBZRKO-YVSFHVDLSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)CCC[C@]1(CN)C[C@H]2C=C[C@H]1CCC2	2316733943	LWGPOOZUOBPEME-BFYDXBDKSA-N	249.442	4.524	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316738824	LMQCCEJZOCSAEK-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCCCCC1)c1ccc(CN)cc1	2316936930	HSBCSNLXOZQYGD-CQSZACIVSA-N	245.410	4.609	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1cccc2c1CCCC2	2317995953	VMMPMAUADUIYCW-UONOGXRCSA-N	245.410	4.658	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@@H](N)[C@H]1CCCC1=CCCCC1	2318537659	FXNMAIDHVHJRAX-YQFWSFKMSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@H]1CCC(C)=C(C)C1	2320269121	XJWCMKYDIHYBCQ-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(N)CCCCC23CC3)CC1	2320389329	ZEBAKLVAONDCGC-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
C=C=CC[C@@H](C[C@H]1CCC(C)=C(C)C1)NCCC	2320415013	WOTGBWWRHSCHMU-IRXDYDNUSA-N	247.426	4.612	0	10	BJAE	
CCCC1CC(CNC[C@H]2CCC(C)=C(C)C2)C1	2320422335	GXPAPCBFRPQTNX-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C)C[C@H](C)c1cc(C)ccc1C(C)C	2327706837	CWLAEXZIXZDPJT-LSDHHAIUSA-N	247.426	4.610	0	10	BJAE	
Cc1ccc(C(C)C)c(C2(O)CCCCCC2)c1	2327708008	KQFCBBCHMPBDDK-UHFFFAOYSA-N	246.394	4.660	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@](C)(O)CCC(C)C)c1	2327709184	XADOPTHOUMEKSW-KRWDZBQOSA-N	248.410	4.762	0	10	BJAE	
CCCc1ccc([C@H](N)CC2CCCCC2)cc1	19231610	NAHMNQZUEPFWON-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCCc1ccc(N[C@@H](C)c2ccc(C)o2)cc1	19232355	WXSVTQWUSYYROK-ZDUSSCGKSA-N	243.350	4.714	0	10	BJAE	
CCC[C@H](C)CNCCCCCCC(C)C	21016513	GNBVAJKVQCPHID-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CC(C)CCN[C@H](C)c1ccc2ccccc2c1	21025570	VROGEWDKISAJNB-CQSZACIVSA-N	241.378	4.537	0	10	BJAE	
CCC[C@H](C)N[C@@H](C)c1ccc2ccccc2c1	21792656	WSLASGMVPWJEQK-KBPBESRZSA-N	241.378	4.679	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1ccc(C(C)(C)C)cc1	35493634	PCMQJCYISMVHRT-HNNXBMFYSA-N	247.426	4.681	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)c1ccc(Cl)cc1	50400162	XIFSYOUWZMHXGO-BXUZGUMPSA-N	239.790	4.569	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@@H]1CCCC(C)(C)C1	79974994	VXQZZPZSDRCHJG-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@](C)(CCC)CNCCC	82441806	AJUBKZCECLLCBG-HNNXBMFYSA-N	227.436	4.763	0	10	BJAE	
Cc1ccc(Nc2ccc(F)c(Cl)c2)cc1C	82715947	JQYOGUDEJZFFJO-UHFFFAOYSA-N	249.716	4.840	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2C[C@@H](C)CC[C@@H]2C)c1	85085492	UEHTUPVYUCDLGJ-DUVNUKRYSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1CCCCCC1	87946983	ABYNSDLKLOLNLR-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](O)c1cccc2ccsc12	88038134	ILNJRRBPBRHFPU-ZDUSSCGKSA-N	234.364	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCC[C@@H](C)c1ccccc1	88294185	UORABNOTPOGQJL-ARFHVFGLSA-N	247.426	4.595	0	10	BJAE	
CC[C@H](C)n1c2ccccc2c2ccccc21	90414416	ZUJCVBCKDAFTBW-LBPRGKRZSA-N	223.319	4.766	0	10	BJAE	
CCCCC(=O)c1cc(Cl)c(Cl)cc1F	107997701	HFWBNBGPCUBAKM-UHFFFAOYSA-N	249.112	4.505	0	10	BJAE	
CCc1ccc([C@H](O)C[C@H](C)CC(C)(C)C)cc1	109788085	IADMJCWDQHNBPA-XJKSGUPXSA-N	248.410	4.745	0	10	BJAE	
CCN[C@@H](c1ccc2ccccc2c1)[C@@H](C)CC	111274935	URVFVQFHVUERIE-SUMWQHHRSA-N	241.378	4.537	0	10	BJAE	
CCCCC[C@H]1C[C@@H](C(C)C)CC[C@@H]1NCC	112872323	YTCMPJXQUVGGKD-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)c1ccc(C)s1	126807698	GFEAZIJKROZNHH-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@@H](F)c1cccc2c1NCC2	132489824	DJEATVFABQGQOP-CQSZACIVSA-N	235.346	4.636	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1ccccc1C1CCC1	132543167	PERFZYVHGVVGEH-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc(C2CCC2)cc1	132879204	YOVKPYHFOXRCJZ-QGZVFWFLSA-N	246.394	4.958	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1cccc(C2CCC2)c1	133578423	CTKFGVBLALQBJF-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
C[C@@H]1CCC(=O)c2cc(C3CCCCC3)ccc21	136908959	QEFQZMITIFJWLR-GFCCVEGCSA-N	242.362	4.814	0	10	BJAE	
c1ccc2c3c([nH]c2c1)C1(CCCCC1)CCC3	143550672	UFEREYWPHXNHPE-UHFFFAOYSA-N	239.362	4.706	0	10	BJAE	
C/C=C/CCN[C@@H](CCCCC)c1ccccc1	161699954	HEPSHLJJGIQYLD-YXMMZVCTSA-N	245.410	4.864	0	10	BJAE	
CCN[C@@H](CC(C)C)c1cccc2ccsc12	163253463	RZLFGLPDKHJJER-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
O=C(CC1CCCCCC1)CC1CCCCC1	164860837	WRBAHMQYCMVHOA-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@@H]2CCC[C@H]2C)c1	226800639	YEYHPJDHMJBYGW-CZUORRHYSA-N	244.378	4.504	0	10	BJAE	
CCC[C@H]1CCC[C@H](Nc2cncc(C)c2)CC1	232074070	VQHGZANVDBOSNV-GJZGRUSLSA-N	246.398	4.551	0	10	BJAE	
CC[C@@H](C)c1ccc2oc([C@@H](CC)NC)cc2c1	232359572	VKNVJALHKBRPNA-BXUZGUMPSA-N	245.366	4.617	0	10	BJAE	
C[C@@H](c1c[nH]c2c(F)cccc12)C1CCCCC1	235398671	YCANZPJUZIDTRG-LLVKDONJSA-N	245.341	4.991	0	10	BJAE	
CC(C)=Cc1cc(C)c(O)c(C=C(C)C)c1	238173694	DCBIJNFKUDBHRS-UHFFFAOYSA-N	216.324	4.547	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C[C@H](C)CCC	251339177	OPIREXOCSKDLTD-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CCC[C@@H](C)CC(C)C)NCC	300877957	ILJWVGROUZMPNM-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCCC(C)C)NCC	300952073	PCZCOOGWBLMRGD-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@H](CCC)CCCC(C)(C)C	300958921	YESOZOHSBJDIOQ-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CN[C@H]1CCCCC[C@H]1CCC1CCCCC1	302243301	GOELOFJCJDZCGC-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C[C@@H](C)CC(C)C	302373645	OWFACMHCKNLNAY-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc([C@](C)(O)C[C@@H](C)CC(C)C)cc1C	305904358	CEVKMHAAZHPKSA-SUMWQHHRSA-N	248.410	4.583	0	10	BJAE	
Fc1cc(Cl)cc2scc(C(F)F)c12	306679491	HUSSGCYYJRJZOD-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1ccc2cc(C)sc2c1Cl	306862528	HNGJGHJEBZJKCN-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1ccc(Cl)c2cc(SC)sc12	307277682	SCBHBPMVNNQADU-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H](CC)CC(C)C	308053534	JCBBKUZKDTWRMT-AWEZNQCLSA-N	246.394	4.894	0	10	BJAE	
CC(C)c1ccccc1-c1cc(=S)cc[nH]1	309331601	SYHRHANVRCSSGT-UHFFFAOYSA-N	229.348	4.535	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H](CC)C2)cc1C	310068017	IRRQBRHLSDGDOV-CZUORRHYSA-N	231.383	4.548	0	10	BJAE	
CCC(CC)[C@H](N[C@@H]1CC[C@@H]1C)c1ccccc1	310947952	QDMWHSHVJQEVSO-XKQJLSEDSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H]2CCCCC23CCCC3)C1	311110347	MKUDUSJALNBWFF-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CCC[C@@]1(CNC1CC1)C1CCCCCC1	318258035	BYGRJVZUVWYQOD-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](CCC2CC2)(CNC2CC2)C1	319030802	IPUNOHKWJXHLET-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(CC)(CC)CNCC(C)C	319090983	CKDPPICKPPXINF-LSDHHAIUSA-N	241.463	4.721	0	10	BJAE	
CCC[C@H](N[C@H]1CCC[C@@H](C)CC1)C1CCC1	322483759	UZGONTKHKYYGRC-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)[C@H](N[C@@H]1CCCC12CCCC2)C1CC1	324236763	IDUMNSCVEKJORN-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCCC23CCCC3)C1	328118676	QDXXHFFXQYJTPR-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC(CC(=O)C2[C@H]3CCCC[C@H]23)CC1	380924070	DXAYKDLUNBXWLI-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(NC[C@@H](C)C(C)C)cc1	381810050	HGULXOOBXLEFTC-CYBMUJFWSA-N	219.372	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](N)c1ccc2ccccc2c1C	384737334	QGXOQLFNSHALHE-SJCJKPOMSA-N	241.378	4.584	0	10	BJAE	
CC1(CC(=O)C(C)(C)c2ccccc2)CCCC1	386029771	YDGOQEUWDPJXNM-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC(C)CC(C)(C)CN[C@@H](C)CCC(C)(C)C	391255027	RCQCNCBXQQTSQK-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CCC1=CCCCC1	395385243	SMDZNYUSZLGUNO-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CCc1cc(CC)c2sccc2c1CC	396206814	NZGSYWCTENGMPY-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CCc1cc(S)c2ccsc2c1C(F)F	396258744	XEQPKWLJEVJAMU-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)[C@@H](C)C(C)(C)C	399190714	YBHKUZLPDDJMBK-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)CC1(C)CC1	401259347	PXBMECPIWPFBCL-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H]1CC=CCC1)NCC	402322626	LFHBJSQOSYHBBY-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H]1CC=CCC1)NC	402342836	OUFLFYBSSPKGND-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)CC(C)(C)C2CC2)C1	405750499	COCJFWFHXNLQCS-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H](C)C(=O)C1CC(C)(C)CC(C)(C)C1	688310554	YUJRCXPNGHNXKA-GFCCVEGCSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)CC1CCC1	688355553	HOJCGZINGAZQKD-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCCC(F)F)NCC	689059678	VRLCHKDCSCSBJT-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCN[C@H](c1cccc(C(C)(C)C)c1)[C@@H](C)CC	691650161	FZTNUMTUVSCBLD-BBRMVZONSA-N	247.426	4.681	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CC2CCC1CC2)C1CCC1	691697469	IRHXVZQRICHCFM-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@]12CCCC[C@@H]1C2	693217481	PUGJIRNIYNSIDB-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC(C)C)[C@H]1CCCCC[C@H]1CC	695101155	MXBHPMVEPCMCKA-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)(CCC(C)(C)CC)c1ccccc1	696677627	KDYGSPPIVKPOOX-KRWDZBQOSA-N	247.426	4.857	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(CC)CNCC(C)C	696688855	VBKOWOTXNIENQK-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)C[C@H](O)[C@]1(C)CC[C@H](C)C1(C)C	699089379	MAXPRXMTFPEXOV-NOLJZWGESA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)[C@H]1CCCC[C@@H]1CNC(C)(C)C	701144972	DXSMFLRWAJSLSN-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@@]2(C)CC2(C)C)cc1	702170736	ILIAEFQPUUZKEQ-YLQAJVPDSA-N	245.410	4.636	0	10	BJAE	
CCC[C@](N)([C@@H]1CCCC[C@H]1CC)C(C)(C)C	704910323	CPWLUTLQNXORFY-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)([C@H]1CCCC[C@H]1CC)C(C)(C)C	704910331	CPWLUTLQNXORFY-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@](N)(CC)CC1CCC(C)(C)CC1	704971394	ICFOZZQBDVPGCD-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CCC12CCCCC2	705250753	FWXLHPZLWUVGGP-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
C1CCC(CC[C@@H]2CCN[C@@H]3CCCC[C@@H]23)CC1	709026258	ZNBFPNFAYWIFDQ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(=O)C1(C)CCCCC1)CC(C)(C)C	709213702	RHSVUZUMUZVERQ-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@@H](C)CC(C)C	709272635	LZHXDLGEPUEUNH-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](CCC(C)C)C1CC1	710023778	IQHUMQVGBBALJN-ZFWWWQNUSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@@]12CCCC[C@H]1C2	711224955	RTOIWSBOGDEEOW-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)CC(C)(C)C(C)C	713223733	WSHWXHHWGIXUIN-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C\CC[C@H](O)c1ccccc1C(C)(C)C	713668455	XBIVKNPTFOLROA-WLMCBFPDSA-N	244.378	4.540	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)c1cscc1C	713709304	IMMBIVXINDEKHG-XHPSBEMXSA-N	249.423	4.620	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@@H]2CCCC[C@H]21)C1CC1	714301979	BRTZXECWTPWQLU-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cscc1C(F)F	717255627	AAYNEDORXZDWSG-SFYZADRCSA-N	246.322	4.551	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H](C)CC(C)(C)C	718498809	ZBWJVOBSQWIWFC-KBPBESRZSA-N	225.420	4.523	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)c1cccc(F)c1	1258076828	QVPAAKAWURRDKH-ZIAGYGMSSA-N	249.373	4.611	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H](C)CC1CCC1	1899348876	ALXZZIQGEKBDTN-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](CC1CC1)n1ccc2cccc(Cl)c21	1899430762	DBQWNLWLDMWNSX-JTQLQIEISA-N	233.742	4.656	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1c(F)cccc1Cl	1901627224	SJHONGMBQRIGCX-VHSXEESVSA-N	243.753	4.572	0	10	BJAE	
Cc1sccc1-c1cccc(CC(C)C)c1	1901900281	ZNHSCBNLQOSFJZ-UHFFFAOYSA-N	230.376	4.922	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCCC1(C)C	1905309144	UOSQPOAVAVXHPS-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)c1csc(C)c1	1905448458	YOTVZNYKSMSGBX-JSGCOSHPSA-N	239.428	4.533	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCC2(CCCC2)C1	1916434909	CFYAGMUKCFMOQY-ZDUSSCGKSA-N	247.357	4.659	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](O)(c1ccccc1)C(C)C	1919933616	HLSAUIKFXMVBEK-WBVHZDCISA-N	248.410	4.603	0	10	BJAE	
CCCC1CC(c2nc3cccc(Cl)c3[nH]2)C1	1921281061	RBVOKMNMQAWDOT-UHFFFAOYSA-N	248.757	4.510	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@@H]1CCCC12CCC2	1921586590	OTVGPPPMIZRLJS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@H]1CCCC12CCC2	1921629630	JSOCNIXAXWTVKH-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1C(=O)[C@H](C)C1CCCCC1	1924096950	HCZBGDVNCBSNPS-CYBMUJFWSA-N	244.378	4.648	0	10	BJAE	
C1=C[C@@H](CNCC2CCCCCCC2)CCCC1	1925818975	FZUHUHBZJJNKPP-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC(CC)C[C@H](NC)C1=CCCCCCC1	1926382062	NOVRHPILZPDQMR-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)CC[C@@](C)(N)CC1(C)CCCCC1	1935623304	PMVJPHUIRRBJJE-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)(CCC[C@H]1CC1(C)C)CNC(C)(C)C	1940872169	KDKAYQMJKHHDFB-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C(C)(C)C1CC1	1941129437	SRWIQSJYQRYTIM-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(O)CCCC1CCC1	1941469814	IKPHCSWKGGQUCF-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCCC2CCC2)CC1	1941469900	JPLGXMCBIWAXMX-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC1CCC=CCC1	1941796162	YJJUPGQMBBNQKE-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@](CC)(C(=O)O)[C@H](C)CCC(C)C	1942550209	JKRFGHISDGBASN-UKRRQHHQSA-N	242.403	4.730	0	10	BJAE	
CC[C@](C)(CNCC(C)C)[C@@H](C)CCC(C)C	1942656212	LUGDDXJDHLEYNA-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
C[C@H]1CC(C(=O)CCCC2CCC2)C[C@H](C)C1	1943041006	FPNKZZMUDXTRCX-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC)[C@@]12CCCC[C@@H]1CCC2	1944136830	OEKSVORXBMLHCZ-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C(C)(C)C(C)C	1944664197	AXNUVZIGTCVDQC-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC1(CCNCC2CCCCC2)CCCCC1	1945432469	OMLFHXORNQRRHG-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)c1cccc2sccc12	1945955025	CHLPKUIEGHTFOS-QWRGUYRKSA-N	244.359	4.520	0	10	BJAE	
Cc1ccc(C)n1C1CC(C2CCCCC2)C1	1945984386	HXNPDZIHUPOKNT-UHFFFAOYSA-N	231.383	4.636	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc(C)cc1F	1947454442	BCKODDWKPIIRGN-GXTWGEPZSA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CCC(C)(C)CC	1949012941	DLBTXKKRTMZNJH-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@H](N)CC2(C)CCCCC2)C1	1949069776	JFTLCUZGGNXAMD-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H]1c2ccccc2NC[C@H]1C	1949095456	YYSLGTUTVFIGQX-OCCSQVGLSA-N	231.383	4.658	0	10	BJAE	
CC1(C)CCC[C@@](N)([C@@H]2CCC(C)(C)C2)CC1	1949450012	CCIGJFNNHVEBCX-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CCC(C)(C)C1)C(C)C	1949551233	JAFNADQXUYFFMU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1C[C@H](CC(CC)CC)CCC1(C)C	1949663884	ZZBPGQVSHXNNRQ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1C[C@@H]2CCC[C@@H]2C1	1950291346	CABSHUSBAKMUHE-DABQJJPHSA-N	249.785	4.639	0	10	BJAE	
CCCCN(CCCC)C[C@@H]1CCC(C)(C)C1	1963218951	IDNXAAALCZTVFZ-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@H]1C(C)C)c1ccccc1	1964200242	UYFDAZYLUDTXSC-ULQDDVLXSA-N	245.410	4.552	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1N[C@@H]1CCCCC12CCC2	1967761947	FPZOQBOBKUFVGJ-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)CN(Cc1ccccc1)[C@H](C)CC	1968431713	FFCVXKKZLWKIRA-HZPDHXFCSA-N	247.426	4.723	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)C1(C)CCC1	1981368782	GGUOYNGSOGCQMF-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCCCCC1(N)CC(CCCCC)C1	1984746880	OJSVMRZOKIBFHF-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CCC(C)=C(C)C	1988781489	VTROKPYHSRWXSW-HNNXBMFYSA-N	223.404	4.587	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CC(C)(C)C(C)C	1988795571	VFJKVMNTNGQMCF-HNNXBMFYSA-N	226.404	4.556	0	10	BJAE	
CC(C)=C(C)C[C@@H]1CCCCCCCC1=O	1989651505	IRDNRJCHUMVXTH-AWEZNQCLSA-N	222.372	4.662	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@@H]1CC[C@@H](C)C1	1996251001	VMUUSFRIQZHAKK-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCCCCN[C@@H]1CCCC2(CCCCC2)C1	1996646700	FSEIMFWYGFHYNK-OAHLLOKOSA-N	237.431	4.659	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@]1(C)CCCCC1(C)C	1997428242	DXWXHZVRDYCUKO-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H]2CCC=CCCC2)s1	1999992785	WZFXMYWHXOIUSN-KBPBESRZSA-N	249.423	4.583	0	10	BJAE	
CC[C@](O)(C[C@H]1CCC=CCCC1)C(C)(C)C	2000011779	PTNPVUZGTZRDMY-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC(C)C1(C(=O)CCC2=CCCCC2)CCC1	2000192330	RQRVOZKAHDKHNQ-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCN[C@H]([C@@H]1CCC1(C)C)C(CC)(CC)CC	2000381616	GPEVWMKIOQDIDH-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CO)CC1(F)CCCCC1	2001377335	VAAXUHZTZWBWAR-AWEZNQCLSA-N	244.394	4.628	0	10	BJAE	
CC(C)CCCC(=O)CC1[C@H]2CCCCC[C@H]12	2002218065	CCHXDAVZCJSWIG-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(O)CCC2CCC2)C1	2002998713	NPDRFZJQEHEGKK-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(N)[C@@H]1CCC[C@H](C)C1	2003014103	KSJXPEXOHDKVIS-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](N)CC1CCC2(CC1)CC2	2003218458	RBQJAGYKBSCPII-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1(C(C)C)CCC1	2004225824	KSIVXCJPCZJLQZ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCC[C@H]2CC[C@@H]21	2004797016	HMSXQIJLYRSISB-SGMGOOAPSA-N	249.785	4.639	0	10	BJAE	
CN[C@H](CCC1CC1)C1(C)CCCCCCC1	2004923130	NQTHIWSGUXGCJP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCC=C(C)C)[C@H]1CC	2009250389	WYYCJVXNSZLEFF-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](O)C1(C)CCC(C)(C)CC1	2009590581	QNFNGFMSSFXELH-GJBLVYBDSA-N	238.415	4.700	0	10	BJAE	
Clc1ccccc1NC[C@H]1C[C@@H]2CCC[C@@H]2C1	2011968439	BVJBPHNRUZYGCU-XYYAHUGASA-N	249.785	4.578	0	10	BJAE	
CC[C@@](CCC=C(C)C)(CNC(C)C)C(C)C	2012426059	LGLJNWFEBNIOTD-MRXNPFEDSA-N	239.447	4.783	0	10	BJAE	
CC[C@](N)(CC1CC1)CC1(C(C)(C)C)CCC1	2017144998	GHWQOLUPPWROPQ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@H]1CC[C@H](C)CC1	2017728850	PQLODEHEWCUEKS-BZUAXINKSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C)CCCNC)CC1	2017737312	KDIHNIWYVCIEGK-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C(C)(C)CC)C1(CC)CC	2017797502	KBNNXFUJYNGTPT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCN(C)C[C@H]1CC[C@@H](C)C1	2019343117	WBBRRESBNRJANK-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
CCN(CCCCCC(C)C)[C@H](C)C1CCC1	2019343622	BVHVILNFYAXNPW-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC1(CNc2ccccc2C2CC2)CCCC1	2021026072	JYXVCLZDTCBYPU-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(O)CCCCC[C@H]1CC	2022455099	SRILFQUZPNCREH-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CCC[C@H](CC)CC1	2022563401	QNLSNQZUIMKCCE-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)c1nc2c(s1)CC[C@H]1CCCC[C@H]21	2022993775	RNQAMVCSKVJOTO-MNOVXSKESA-N	249.423	4.661	0	10	BJAE	
Cc1cscc1N[C@@H]1CCC[C@@H]2CCCC[C@H]21	2023000161	ZOEWCMQCXKDZTO-BFHYXJOUSA-N	249.423	4.827	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@H](C(C)C)C2)c(C)c1	2025571625	DGQJEZDNAWBJIB-GJZGRUSLSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CCCC1CCC1	2026165874	FOUSDACRTHKPCA-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
Cc1cc(F)cc(C(=O)CC2(C)CCCCC2)c1	2027276339	QQABTFWZPAVHLQ-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1ccc(C2(C)CC2)cc1	2028596004	CGRWJBGAYKXVPH-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1ccccc1C1CCC1	2029079562	XYBFHUAHFKSTNJ-OGHNNQOOSA-N	246.394	4.670	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CC(=O)C1CCCCC1	2029168726	ICLFTRMRDIOEHB-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](NC[C@]12CCCC[C@@H]1CCC2)C1CCC1	2031787256	BKIXUDXFVJDKLH-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(N2CCCC23CCCCC3)C[C@@H](C)C1	2033535218	PDMKBUOOUUHJKM-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CC1(C)C(C(=O)[C@@]23CCCC[C@H]2CCC3)C1(C)C	2034057666	OIGYDPNKCFSPMD-YVEFUNNKSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](c1c(C)coc1C)C1CCCCCC1	2035534812	UFYMWEIJJREKHR-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
NC1(C2CCCCCC2)C[C@@H]2CCCCC[C@H]2C1	2035864274	XZUIHHIGUYQLAT-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC[C@@]1(CNC2CC2)CC12CCCC2	2036106097	MVNKZKXZYSKFHW-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CCC(C(=O)CC2CC3(CC3)C2)CC1	2036727562	CNQKDYNPNCIKJJ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@@H]1CCC[C@H](C)C1	2037051351	XZPITBVTPJLBPC-VBQJREDUSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)C[C@@H]1C=CCCCC1	2037272941	IZZUOACTNWPARU-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@@H]1CC12CCCCC2	2039084809	JDPSMPKHHFBUCL-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CCCC1)CC12CCC(CC1)C2	2039418411	SPMDQXUSUHWCIB-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@H]1C(C)=CCC[C@@H]1C	2039451574	ANJBDHUDJJGVLB-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)C[C@@H]1CCC=CCCC1	2045305130	MIDYEASZSQXBBT-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@H]2CCC=CCCC2)C1	2045309759	JKAARFHFNJTNPB-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@H]2CCC=CCCC2)CC1	2045318596	WTXXCSSOSZZIDU-IKGGRYGDSA-N	249.442	4.811	0	10	BJAE	
NC1([C@@H]2CC[C@H]3C[C@@H]3C2)CCCCCCCCC1	2047353170	JLJPPSVJEHVGPV-ARFHVFGLSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047423928	FXHGRCLMFSLMIE-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047435941	ARXUHQVYVMPVOC-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC(C[C@H](N)[C@@]2(C)CC=CCC2)C[C@H](C)C1	2047679427	SPXGHULXQNTYRU-JHNDHUHGSA-N	249.442	4.523	0	10	BJAE	
CCC1CCC([C@H](C)NC2CC3(CCC3)C2)CC1	2049412937	TUQKXVUDECICQC-NFOMZHRRSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC([C@@H](C)NC[C@H]2C=CCC2)CC1	2049424684	JVXPDUXOTCKPQH-GYXIZQIFSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@H]1[C@H]2CCCCC[C@H]21	2049704315	MFEZKDXQJVDXAL-JONQDZQNSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CC1=CCCCC1)CC1CCC2(CC1)CC2	2049851625	BWFTWQJCHDNMGR-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
Cc1cccc([C@@H](O)CC[C@H]2C=CCCCC2)c1	2050428689	GAHFJHCQHVMCTL-RDJZCZTQSA-N	244.378	4.555	0	10	BJAE	
CCCC(CCC)CNC1C[C@H]2CC=CC[C@@H]2C1	2052167240	FMABCXLWNVNUIQ-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@]2(CN)CCCCC23CCC3)CCCC1	2053419065	CJVPLYGESBAUNN-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@H]1CCCCC12CC2	2053419455	FPQQDEJLHXTRGU-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)c1ccc(C)o1	2056872991	JFOHSHOIXQASJK-HNNXBMFYSA-N	247.382	4.519	0	10	BJAE	
C/C=C/C[C@@]1(CNC(C)(C)C)CCCC12CCC2	2057059878	HXICVRNLPLSBML-RTRPANQVSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCCC)c1ccc(C)cc1	2059225022	IODDCTJBJRYJFO-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C1=CC[C@@H](C)CC1	2060914117	PRWNJRMVJQNVSU-KEYYUXOJSA-N	247.426	4.587	0	10	BJAE	
CC[C@H]1CC=C([C@](C)(N)C2CCC(C)CC2)CC1	2061121644	IBHDFPPLBLPFGB-KXJMLMMSSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)CC(C)(C)C2CC2)CC1	2061148565	WDHIPVIGYLZBHT-CZUORRHYSA-N	249.442	4.523	0	10	BJAE	
Cc1cccc(C)c1OCC1CC(=C2CCC2)C1	2061708094	YZOBFVBWZNRUII-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1N[C@@H]1CCCCCC12CC2	2062017454	OSRIWOIMAQTJAE-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC=C([C@@]2(O)CCCCCC23CC3)CC1	2062029757	ACCSOGDHSJGVDV-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](CCC(C)C)NCc1c(C)cccc1C	2065995806	QYIJRXPEVSXXME-INIZCTEOSA-N	247.426	4.608	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@@H](C)C2(C)CCCC2)c1	2067508162	JINVHTAUGAOAFP-CABCVRRESA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068704557	RARAVRHXIDFMNV-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]2CC[C@@H]2C1	2068807160	IGDKAVJCEQTAPM-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@@H]2C2CCC2)c(C)c1	2071782989	OCMURYJGANXAHE-HZPDHXFCSA-N	243.394	4.602	0	10	BJAE	
CC(C)C1(CC[C@](C)(O)c2ccccc2)CCC1	2071909175	WJIPXOFBAFSJDH-INIZCTEOSA-N	246.394	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2CC23CCC3)CC1	2072681887	OCMOKGCENQXDFD-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCC1CCC(C[C@H](N)c2cc(C)co2)CC1	2072795311	CKNBNLIPAMQOPO-NRXISQOPSA-N	249.398	4.584	0	10	BJAE	
CC1(C)CC2(C1)CC(N)(C[C@H]1CC[C@H](C)CC1)C2	2072803610	JXELJVGTAYMJDX-HDJSIYSDSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@]2(CNC)CCCCC23CCC3)CC1	2074624362	QQICHAXBIPTXLM-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCc1ccc(N(C)C[C@H]2CCC[C@H](C)C2)cc1	2074857584	SZNSRLZQPWHTBM-HOCLYGCPSA-N	245.410	4.512	0	10	BJAE	
CCc1ccc(N(C)CCC2CCCCC2)cc1	2074887551	DGKRHXNRRUBJGR-UHFFFAOYSA-N	245.410	4.656	0	10	BJAE	
CC1CCC(N[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079527873	JIHZRGJBDUKPKL-BNICSPFPSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NC[C@H]2C[C@@H]2C2CCCC2)c(C)c1	2079641176	OXMRZNBNSSVLJZ-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
CCCC[C@](CC)(CC=C1CCC1)CNC1CC1	2081682990	DUVVKKAEIKKKHK-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CC[C@H]1CC(C)C	2081956104	VXBRNYWLXVHMQM-XJKSGUPXSA-N	249.373	4.625	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCCC(C)(C)C2)CC=CCC1	2082981392	CSWFWEVUQVLRTB-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NC1CC2(C1)CC1(CCC1)C2	2083644999	RORKFKTVNXDAHQ-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@H](N[C@@H]2CCCC23CCCC3)C1(C)C	2084441673	KTWMVIQMGVFZTH-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@H](O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213273383	PRMLGOPHXKXVOP-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](CC[C@@H]1C[C@H]1CC)NCC	2215250830	KVLFJCQTKZQHQR-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCSc1cccc(NCC[C@@H]2C[C@H]2CC)c1	2215310306	CRFMDTLSLOOSDY-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@@]1(C)CC=C(C)CC1	2215811869	FXTQJTYWVADCBZ-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC1=CC[C@](N)(CCCCCCC2CC2)CC1	2215834196	ISDOHZQBJWHCRE-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCCC[C@]1(CNCCC)CC=C(C)CC1	2215836247	AYPXUXDLESQQQG-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218321784	GVBQXLRDMOKSJE-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)[C@]1(C)CC=CCC1	2220931788	GEURCFSHANWVOW-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(CN(C)[C@H]2CCCC[C@H]2C)CC1	2221603887	IUCGWFKHFRNJSL-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@]1(C)CC=C(C)CC1	2221634182	XWHVTVBEOOAPPS-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)[C@@H]1CCCCC1(C)C	2221992484	FKQFBUFTTAEMIX-HOCLYGCPSA-N	246.394	4.553	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H]1CCC1(C)C	2243198759	LMDCXUJGWPLNFW-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC[C@](CN)(CC[C@@H]1CCC[C@@H](C)C1)C(C)C	2246659635	JUTVXGIATAQGFV-OWCLPIDISA-N	239.447	4.604	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@](C)(N)C2CCCC2)C1	2246669664	UFOVIWFEHSUGEF-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H]1CCC1(C)C	2247445771	RXSRCSFYRGMONH-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1CC2(CCCC2)C1	2250362339	UIIDCANVIWJLHJ-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)[C@H](N)CC[C@H](C)CCCC(C)C	2250523988	NESQPDGLXKIJJA-OWCLPIDISA-N	241.463	4.993	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1(C2CC2)CCCC1	2254505820	NXXDDWHSPAVAMF-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@@H](N)C[C@H]2CCCC23CC3)CCCCC1	2255227760	PKNZJZUAXSCLIT-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](C)(N)[C@@H]2CC23CCC3)C1	2256489722	PVAXLIPFEZDQPT-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@H]1C)[C@]1(C)C=CCC1	2257240865	MNLFLJGADOUUBW-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C1CCCCN(C[C@]23CCC[C@H]2CC3)CCCC1	2260565460	AXKJMFDNROPKNT-DLBZAZTESA-N	249.442	4.613	0	10	BJAE	
CCCC1([C@H](C[C@]23CCC[C@@H]2CC3)NC)CCC1	2260573996	KRKQXKMDJMFPHM-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)C[C@@]23CCC[C@@H]2CC3)CCCCCC1	2260611672	WLXNHHLKIVAJTP-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@]12CCCC[C@H]1CC2	2260654615	AAPZFOKSVHVHCD-HLLBOEOZSA-N	248.410	4.886	0	10	BJAE	
CC[C@H](C)C[C@H](C)Nc1ccnc(C(C)(C)C)c1	2260747608	ZPZBROQARAPWTA-STQMWFEESA-N	248.414	4.616	0	10	BJAE	
CCN[C@@H](CCC1CC(C)C1)C[C@@H]1CC=CCC1	2261494097	WSBLNOUCJOPXOA-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
C(=Cc1cc2ccccc2o1)c1ccccc1	2297466026	UCPJIRJQIFKUFP-UHFFFAOYSA-N	220.271	4.603	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CC[C@@H](CC)C1	2300922143	WOIMIGCOYQGCPP-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1C1(O)CCCCCCCCC1	2301291197	NVFLZOAUVWOXAQ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)[C@H](C)N(C)CCCC1=CCCCC1	2302347648	TTWYRMVEEVSPDB-CABCVRRESA-N	237.431	4.633	0	10	BJAE	
CC[C@@H](N[C@H]1CCC(C)=C(C)C1)c1ccsc1	2303456065	GUNBCQQMCDRSLD-LSDHHAIUSA-N	249.423	4.678	0	10	BJAE	
CC1(C)CC[C@@H](CCCC2(O)CC(C)(C)C2)C1	2304395397	BDHGEWIKSRRFCT-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCCC12CCC2	2307749632	MIKKYMHGDUEQEK-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)Cn1c(C)cc2ccccc21	2307900988	HEIFVRRAUVCXGU-AWEZNQCLSA-N	229.367	4.776	0	10	BJAE	
C[C@H]1C[C@@H](C[C@@H]2CCC[C@H]2C)Nc2ccccc21	2308259956	MKYAVKPPAAZYNM-QPSCCSFWSA-N	243.394	4.801	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C[C@@]12CCC[C@@H]1C2	2313030576	KJSHBQCEOOGENS-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
CC(=CCN1CC(C)=C[C@H](C)C1)CCCC(C)C	2316513291	PSTRQYVPBQTFKL-INIZCTEOSA-N	249.442	4.657	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CC1CC2(CCC2)C1	2316533345	YICWISWJTMIAOI-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@@H]1CCC2(CC2)C1	2317967826	AYWKVAULMTZTNB-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1[C@H](Nc2ccc(C3CCC3)cc2)CC1(C)C	2318184156	RMYOMYHGYFCVMF-MLGOLLRUSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1[C@H](C(=O)[C@]23CCCC[C@@H]2CCC3)CC1(C)C	2318284410	HIKNYALIXGHDBE-WBOJAVRRSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1[C@@H](N)CCCC1=CCCCC1	2318566239	VPJYNBXFWGQFDK-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
CN(CCCC1=CCCCC1)[C@@H]1CCCC12CC2	2318599691	YMMFSMNFLLKFAN-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C2CC(=C3CCC3)C2)C1	2319298416	YUKYHIHCJFUBQS-LBPRGKRZSA-N	246.394	4.662	0	10	BJAE	
CCC1(C(=O)CC[C@H]2CC[C@H]2C2CC2)CCCC1	2319692629	KGBGFQDKVZVOLB-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC[C@@H]1CC[C@@H]1C1CC1	2319740644	LVLWZWIWCYAKLM-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@H](N)[C@@]1(C)C=CCCC1	2320241883	XULDDIBYXKAZRE-IVSAIRAKSA-N	249.442	4.523	0	10	BJAE	
O=C1CCCCCCC[C@@H]1[C@H](CC1CC1)C1CC1	2320695406	HWFBJGRHOIIQIE-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CCCCCCc1ccc(C(=O)[C@@H]2C[C@H]2C)cc1	2327892941	ATBZOFBKRVHUMA-CZUORRHYSA-N	244.378	4.648	0	10	BJAE	
CC(=Cc1ccccc1C1CC1)c1ccc(N)cc1	2341761764	AFNYRXJJDOXGLO-UHFFFAOYSA-N	249.357	4.707	0	10	BJAE	
N[C@@H](c1ccc(C2CCCCC2)cc1)C1CCC1	20558949	ZQAYXGUCMGRIRS-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	34995609	XUXVYOVPLUKOSX-JJTUDDRGSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)(C)C)c1ccc(C)cc1	35466122	YLJJQEHKDFUFFH-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
Cc1ccccc1N[C@H]1CC[C@@H]2CCCC[C@@H]2C1	37216389	QOHKANFHZFATRQ-XHSDSOJGSA-N	243.394	4.766	0	10	BJAE	
CCCN[C@H]([C@H]1CCC[C@H](CC)C1)C(C)(C)C	71155807	GFYIFFIHSYIHPV-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCc1ccc(-c2cccc(F)c2)cc1	79974289	KBDLWLCFJHKKGW-UHFFFAOYSA-N	228.310	4.835	0	10	BJAE	
CC[C@H]1CC[C@@H](NCCCCCCC(C)C)C1	80429005	BBOZGJWJMYFBFL-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CC1(CO)CCCCC1	85037669	AJZVEYYIVIPWEC-AWEZNQCLSA-N	226.404	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccsc2)CC1	85529066	MFUAQCMLLDSCJK-VXGBXAGGSA-N	223.385	4.519	0	10	BJAE	
c1ccc2c(c1)C[C@@H](c1cccc3ccccc13)N2	86649721	BKOQDRQKBVTAPS-SFHVURJKSA-N	245.325	4.549	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(CC2CCCC2)CC1	87187746	DAPKZXKTZDTPPJ-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@H]1CCCC1(C)C	94321459	BXDNTUAWCXDPBB-HNNXBMFYSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)CC1(CNC(C)(C)C)CC1	97148019	WJBBHUAROCWPBT-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@@H]2CCC[C@H](C)C2)cc1	109733644	HKFQOKNQCMBIIS-IAOVAPTHSA-N	245.410	4.636	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1c(C)cc(C)cc1C	109786897	FUJZLINWJBMNRE-NVXWUHKLSA-N	248.410	4.862	0	10	BJAE	
CC[C@@H](NC1CCC(C(C)(C)C)CC1)C(C)C	109929382	ROLZSUVEBMQJHT-YMAMQOFZSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCCn1ccc2c(Cl)cccc21	129808077	SAFASZYIYXVILH-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
CCCCC[C@@](C)(O)Cc1ccc(C(C)C)cc1	132850740	PHVBUCPDQLCMLM-QGZVFWFLSA-N	248.410	4.684	0	10	BJAE	
C/C(=C/CCNCC(C)C)C1CCCCCC1	150000864	HBJBLOYNZWOCLD-DHDCSXOGSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H](CCCC(C)C)C1	166178777	YXDPBVLIVMVVSN-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](O)(CC2CCCCC2)C1	203677486	SLVOYCHHDCGWIH-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@@H]2CCC[C@@H]2C)cc1	226525018	ICULXUSJLUYSCO-XJKSGUPXSA-N	244.378	4.504	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H]1CCC[C@@H](C)C1	227086455	DOSUIGZIMIWXCI-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@H](N)CC2CCCCCC2)C1	229468150	IRINJTVBHDCUBA-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2C1CCCCCC1	232452542	MBQJEACVZUEQHS-CQSZACIVSA-N	229.367	4.556	0	10	BJAE	
CCCCC1CCC([C@H](O)[C@H](C)CCC)CC1	232929285	IRTQGHONFDLYIP-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](C1CCCCC1)C1(C)CCCCC1	233584810	DBBCPRHBOCSBSW-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
FC(F)(F)c1cccc2cc(Cl)ccc12	238574303	OFVZIWSWOVFUMJ-UHFFFAOYSA-N	230.616	4.512	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1Nc1cccc(Cl)c1	252178940	PPMNYCZYYPDEAA-YABSGUDNSA-N	237.774	4.577	0	10	BJAE	
CC[C@H](C)C[C@@H](N)c1ccc([C@H](C)CC)cc1	253269630	ZRDUJIHXVIBQRL-WOSRLPQWSA-N	233.399	4.636	0	10	BJAE	
C=C(C)c1cc(Cl)cc(C2(C#N)CCCC2)c1	260769446	YKJDFBNNQDODID-UHFFFAOYSA-N	245.753	4.708	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(O)CCC1CCCC1	305897516	QFGBMFZZNSYNBC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCc1sc2c(Cl)cccc2c1CC	306583943	RJTAZRNGTYDIRK-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCc1c(Cl)sc2c(SC)cccc12	306608456	JHFPUCXNPQWDOB-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1sc2ccc(Cl)cc2c1SC	306870368	VFXGNODVADSJKB-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Cc1cc(C(F)F)c2sccc2c1Cl	307529000	NOSFFWNYEVTBNR-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)c1sccc1C	307998749	NFYFVUFOYSEGJT-OLZOCXBDSA-N	240.412	4.552	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CCC1CCCCC1	308108041	XALUJDSKXAYTCN-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(N)(C[C@@H]2CCC[C@H](C)C2)CC1	310186087	XOCIIKLDDKNZBT-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@]1(C)CCCCCN1)C1CCCCC1	310425456	PSBWXCSRLJOTTD-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC1CCC1)CC1(C)CCCC1	310453031	YKWZAHRKOFIXLW-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)C(C)(C)C(C)(C)C)C1	310521610	WXDDCWZAUXJTGK-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)CCCc1ccccc1	310579380	MWZJUELLHOAWQT-HNNXBMFYSA-N	246.394	4.651	0	10	BJAE	
CCCc1ccc([C@H](N)C(C)(C)C(C)(C)C)cc1	311108497	VYULMMHKRSYUOC-HNNXBMFYSA-N	247.426	4.711	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H](C(C)C)C1CCC1	324924878	SPTXKXGAFDDLBZ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC1(CCN[C@@H]2CCC[C@@H](C3CC3)C2)CCCC1	381265824	QIXPMNBBUNOYJM-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](C)[C@@H](C)CNC(C)C	383220455	RMWPZRVKUKKZAL-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCc1ccccc1C(=O)C[C@H](C)C(C)(C)C	384006813	IDPCCRIAOCUWLO-LBPRGKRZSA-N	232.367	4.504	0	10	BJAE	
CCCc1ccccc1[C@H](N)CC1CCCCC1	384438650	FMMOMVJCQOMKLC-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)c1ccc(C2CCC2)cc1	384675128	YWTSVAFEWNBRMZ-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCCCC[C@@H](N)c1ccc2ccccc2c1C	384693727	IWMLSYRABRPZKO-QGZVFWFLSA-N	241.378	4.728	0	10	BJAE	
CCC[C@H](NCC)c1ccc2ccccc2c1C	384709637	LXMNJAFFPZDRTJ-KRWDZBQOSA-N	241.378	4.599	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CCCCCC(C)C	394855128	HZVQENVLNXFFEZ-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccsc1Cl	395638692	JCEMKCPDAQRIIX-UWVGGRQHSA-N	243.803	4.782	0	10	BJAE	
CCOc1c(CC)sc2cccc(Cl)c12	396185476	DMULSHYRUPXILC-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc(F)c2scc(C(F)F)c2c1	396201254	RICPPPMECQBVBC-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC(C)(CCOc1ccccc1Cl)C1CC1	405954989	JPQIMNZDXGJDLQ-UHFFFAOYSA-N	238.758	4.545	0	10	BJAE	
CC(C)(CNCCC(C)(C)C1CC1)C1=CCCC1	406099457	HLCMWTJAYJROSS-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)c1ccc(NCC2(CC)CC2)cc1	687535738	ASQZWQRYODGVEO-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
Cc1cnc(C2CC(C)(C)CC(C)(C)C2)s1	688330011	HDGOCSIZWIYXLQ-UHFFFAOYSA-N	237.412	4.771	0	10	BJAE	
CCCCCC(C)(C)CNCCCC1CCC1	688393507	FFXGBYOHEXVZCI-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
c1ccc2c(OCCCC3CCC3)cccc2c1	688869393	XSADJPLZESDYRN-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
CC[C@H](NCCCC1CCC1)c1ccc(C)cc1	689012605	NWIBPAZNEOHKCC-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)C1(CC)CCCC1	692104896	ICKPLXPKUZXBKP-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CCC([C@H](N)CC2CC=CC2)CC1	692105652	LTZAXWDAHHYRAN-BDVYOWHSSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@H]2CCC23CCCC3)C1	694330954	OOJYVAIMIABMQK-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@@H](C)C(C)(C)CC)C1CCCC1	695144931	FEMYTBFLWMLHBB-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCC1CCC2(CC1)CC2	695737743	KPXFWHPUBFGLRH-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCC[C@@H]1C1CC1	696050458	ORSALSHMTDHRGV-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCCC[C@H]2C2CC2)c1	696108071	YCYAPFOCTKLZSJ-DZGCQCFKSA-N	247.357	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@@H]1C[C@@H]1CC	696552145	XTOXTKFDPICWCR-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Clc1ccc(CCCC2CC=CC2)cc1	700906649	VDUNEJIGMLUWQV-UHFFFAOYSA-N	220.743	4.629	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@@]1(C)CC1(C)C	702169719	DBAALMBKDITVPR-NVXWUHKLSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CC1CCC(C)(C)CC1	704889674	LRHBZXZUYPXNLJ-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H](C)CC(C)C	709079990	NNMNQUBWRFGBCA-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@H](C)CC(C)(C)C	709081385	BIDVPISZEJOADZ-STQMWFEESA-N	227.436	4.602	0	10	BJAE	
C[C@@H](CNCC1(C)CCCCC1)CC(C)(C)C	709121500	FTKQZSNHXGWJLG-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(O)(C[C@H](C)CC(C)(C)C)CC1	709258530	JODOJNABUGSBOJ-VQCLRJIVSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CCCCC1(C)C	709761488	ZORMDMGMAZZWJU-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C[C@@H](CCC(C)(C)C)NC)C(C)(C)C	711100434	YXAQCXALVKLXSX-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCC[C@@H](C)CC1	711281955	YWKVQAGPMBGQEI-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)c1cc(C)cs1	713167401	IHFYXNNVOXOGIV-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](C)C(=O)c1ccccc1	713304119	HOOMUMWAHHFAEE-CYBMUJFWSA-N	232.367	4.578	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@H]1NC1CCCCCC1	717531892	YPFUCQOXRGCWOE-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@H](NC2CCC=CCC2)C1	718052722	MEAQTKAELSTHTN-NVXWUHKLSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H]1C[C@H]1C1CC1	718561392	VZRCTRJWCROECC-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](C)(CCCC(C)(F)F)CNC(C)(C)C	718688238	SJRGOJLQOAFRLZ-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)CCc1cc(F)ccc1Cl	718774651	AMYIULDLNLLCFO-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC[C@H]1CC=CCC1	720957559	VHMQZYYHPJKUGX-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1cc2cc(F)ccc2nc1Cl	722208502	NFBDQLXEYIVQEH-QMMMGPOBSA-N	237.705	4.541	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(O)CCCC2(CC2)C1	723553404	ICLJGJNYVHHBFU-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCCC2(CC2)C1	723569201	OYEKCONYIHGEPX-AWEZNQCLSA-N	243.394	4.945	0	10	BJAE	
CCC1(NC[C@@H]2C(C)=CCC[C@H]2C)CCCCC1	1560843435	ZICSDDBIFUTWFX-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CCSc1ccc(F)cc1	1613128801	CYZBWJYESGDAOI-UHFFFAOYSA-N	226.360	4.744	0	10	BJAE	
CCC[C@@H](CC)SCc1ccc(C)c(F)c1	1641105486	DUUFJNRWKSKNHV-CYBMUJFWSA-N	240.387	4.946	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCC[C@@H](C(C)C)C1	1651487311	YNGJHTMNDIGHML-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CN1CC(C)(C)Cc2ccccc21	1875654566	NMHCMAZPQNYCRS-UHFFFAOYSA-N	245.410	4.512	0	10	BJAE	
CC(C)[C@H](C)N(Cc1ccccc1)[C@H](C)C(C)C	1880412789	CLCFZKZYLSMFOT-IYBDPMFKSA-N	247.426	4.578	0	10	BJAE	
C/C=C/CCCc1ccc(CCC)s1	1887749893	CGJZYTRVANULGL-HWKANZROSA-N	208.370	4.599	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1csc(C)c1C	1900704169	QBIPYQLWJZFYSV-CQSZACIVSA-N	239.428	4.581	0	10	BJAE	
CC=CCC(=O)c1cc(-c2cccs2)cs1	1900837809	HLEQMVMIXXHEEZ-UHFFFAOYSA-N	248.372	4.626	0	10	BJAE	
CCC(C)=CCC1CC(c2ccccc2)C1	1900904732	XQSALYBBODDILK-UHFFFAOYSA-N	214.352	4.927	0	10	BJAE	
Cc1sccc1OCCCC1=CCCCC1	1904942844	PBVHZUDZZOVERE-UHFFFAOYSA-N	236.380	4.716	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2CCCCC[C@H]2O)C1	1911278506	IFNHKYJNMKWAHS-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCNCC(=CC1(C)CCCC1)C1CCCCC1	1911934513	SGSMKTCWJZBKOD-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC=CCCN[C@@H](CCCCC)c1ccccc1	1911939747	HEPSHLJJGIQYLD-KRWDZBQOSA-N	245.410	4.864	0	10	BJAE	
C1CCC2(CC1)CC(NCCCC1CCCC1)C2	1912710476	HVGMQDCQIYCPEV-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCC1CC([C@@H](C[C@H]2CC=CCC2)NCC)C1	1921320608	OHHWTZSUGVTCBB-ZGRYLRDCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](N)(CC[C@H]2CC2(C)C)C1	1921548405	GHJQHWMROGKWAW-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CCCC12CCC2	1921630595	RVSCOPDEIPEYGZ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](O)CCCCCC1CC1	1923887826	ARNBBDOKHZIZOU-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(NCCCC2(C)CC2)CC1	1940872684	OEVUBFHVOQSYPY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](C)(N)C1CCC(C(C)(C)C)CC1	1941159228	RUUWFSAXHJNMIN-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)CCCCCC1CC1	1941573790	STSVJNYMXBWDCN-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CC(C)(CC(=O)CCCCCC1CC1)C1CC1	1941585362	FMEYSNXPWQDFEA-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
Cc1cccc(C)c1OCCCCCC1CC1	1941592469	UPLGXCUQFFRPGP-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
Cc1ccc(OCc2ccc(Cl)c(C)c2)cc1	1941823646	NONDTGAANFKWAE-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC[C@@H](CNCC1CCCCCCC1)C(C)C	1941935346	RICJXVHGQYWGBW-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CCC(C)(C)C[C@H]1C	1942665662	ZOWAEOUYWMTTRH-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C[C@H](C)C1CC1	1944497836	POQWABLGMWTBJV-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@H](N)C[C@@H]1CCC[C@H]1C)C(C)(C)C	1944831388	KPVRJFKOZMYWOZ-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@@H](NCCC2(C)CCCCC2)C1	1945432557	PIQSMHFYEUJPHG-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC)c1cccc2sccc12	1945971281	YNUAEWFIVCPOPJ-AWEZNQCLSA-N	247.407	4.742	0	10	BJAE	
CC[C@@H](C)CCN[C@H]1CCCC2(CCCC2)C1	1946449311	JMGWQUKDAPHBOI-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)C1CCC(CC)CC1	1947517163	YTADUAMHIDOYMT-BHDPWAOGSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H]1C=CCCC1)NCC	1947590637	YAWFYNRIIOCYRB-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CC(CO)(CC2(C)CCCCC2)C1	1948406229	XNGLNMQUCCMTBX-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC[C@@H](C)C1)C(C)(C)C	1949534554	FAIQEBFKRZORDY-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](CC(=O)CC2CCCC2)C1	1949861860	KDIAHDMUIRSWFP-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CC1(O)CC2(CCC(C)CC2)C1	1950545393	LHNCBGWXIIAVBA-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@H]1CC12CCCCC2	1950604754	MXUWAQLTLPHHAA-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@]1(CN)CCC[C@@H](C)CC1)C(C)(C)C	1950925107	QFRBLEGERUKRGZ-YCPHGPKFSA-N	239.447	4.604	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@@H]1CCC[C@@H](C)CC1	1950931486	XEVDDPAIGMGKLQ-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC(C)c1nc([C@@H]2CCC[C@@H](C)C2)cs1	1961018393	JLGSOQVOCCWQJE-GHMZBOCLSA-N	223.385	4.560	0	10	BJAE	
Cc1cccc(NCC[C@@H]2CCC[C@H](C)C2)c1C	1968250725	SBLKBIHUHNDWCE-BBRMVZONSA-N	245.410	4.932	0	10	BJAE	
Clc1ccccc1NCC1[C@@H]2CCCCC[C@@H]12	1968257585	YLAZKMDNUNUKEJ-VXGBXAGGSA-N	249.785	4.578	0	10	BJAE	
C[C@@H](COc1cccc2c1CCCC2)C(C)(C)C	1968651338	IBSMQHWLQGCFNY-ZDUSSCGKSA-N	246.394	4.626	0	10	BJAE	
CCCN[C@H](CC)C1(C)CCCCCCC1	1981416421	OVQNANDIJAFPOK-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCc1ccsc1[C@@H](N)C(CC)(CC)CC	1985604761	BZTBFUUMCOLTAC-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
CCC(CC)C(=O)C[C@H]1CC[C@H](CC)CC1	1989839754	RZVOGECQKDRJGU-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CC[C@H](C)CC1	1990090582	DHUNZFGCIZJDFZ-RBSFLKMASA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H](C)C1CCC1	1991161569	ZVUZNFVHLDGDKE-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCCC(C)(C)C1=O	1991634366	PFQYTVSXLPIWSY-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@](C)(O)C1(C)CCCCC1	1995985421	JIBFUSUYQNFQGM-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)CNC[C@H]1CCCC[C@@H]1CC	1996607379	CRVVWILZZNDGCK-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1CCCCC1(F)F	1996612116	HFAQKNPIMSHURV-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC[C@H]1CCC[C@H](CNCCC(C)(C)C)CC1	1997100116	LVUGCZFBIFXICL-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)CC1=CCCCC1	1998381385	WCGOTALOYBURTJ-HOCLYGCPSA-N	237.431	4.824	0	10	BJAE	
CCC[C@@H](C)CCNC[C@H]1CCC=CCCC1	1999997526	YZTSHMBQGAIDPB-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)C1(C(=O)CCCCCC2CC2)CCC1	2000196705	LYZBOCZYKSMZFK-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)(CC)[C@@H](C[C@H]1C=CCCC1)NC	2000323786	ZFMOGVKDXJPVON-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H](C)[C@H](C)CC	2000380547	WCYAHHAACODUOH-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CCCCN(CCC[C@@H]1CC1(C)C)[C@H](C)CC	2000907323	OGCSVMCYHTTZCE-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2001490293	LEEAVZJEDCKGGO-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2003016583	HDMYHTCTYQESHD-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](C)NC1C2CCCC1CCC2	2003369079	ZSGMMPWEBIFEPD-JYLOXXHMSA-N	237.431	4.514	0	10	BJAE	
CN[C@@H](CC1=CCCCCCC1)c1cccs1	2003680759	OENVNSYRMDTFRG-AWEZNQCLSA-N	249.423	4.679	0	10	BJAE	
CC1(C)CCC[C@]1(CO)CCC1CCCCC1	2005576967	PKCMWBCLIOIGIG-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CC1CCC(C)(CNCCCC(C)(C)C)CC1	2007681730	PJNRSGCJZCQZJK-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC1CC(CC(=O)C2CCCCCCC2)C1	2007770020	XNNXYQHKPLIWLV-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H]1CCC[C@H](C)CC1	2007865176	YIBHQAOGNRNPEZ-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@H](CC)C(C)C	2009551066	DQFVWDGFHORZMJ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@]1(O)CCC[C@@H](C(C)C)CC1	2009588687	ANUWXEQVIFHGBM-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C1=CC[C@@H](CC)CC1	2010716076	LXRXQBHWHOXZRN-IJEWVQPXSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@@](C)(N)C1=CCC(C)(C)CC1	2010742095	GDYDRPFYEUQMLY-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC1CCC(C)(C(=O)CCC[C@H]2C[C@@H]2C)CC1	2011576316	JVYZTDKOGULFIA-WJEHIRDRSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](CCC1CCCCC1)(CNC)C(C)C	2012417738	WEBXTVIMEFKNNB-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)[C@H]1CCC1(C)C	2014941186	CHQIHGUVOQEPTG-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)CC(C(C)C)C(C)C	2015379173	XVXCSQYULVSXJP-ZFWWWQNUSA-N	238.415	4.556	0	10	BJAE	
CC(C)C(CCC(=O)C[C@@H](C)C1CC1)C(C)C	2015387820	LDFQAFVSPNXONL-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H]1CC12CCC2	2015508480	HKJPZYQKGWBRIX-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CN2CCCC2(CC)CC)CCC1	2015589297	RIZPIEBCIXLKAA-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CC(C)(C)C(C)(F)F	2016145965	RRUWTJGOHKIDDP-CYBMUJFWSA-N	248.357	4.555	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C(C)(C)CCF	2016764258	PTCSRCPISKJDGS-ZDUSSCGKSA-N	245.426	4.567	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CC2(C(C)(C)C)CCC2)C1	2017125697	QTXLGIIAVPAMOS-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CCC1(C(C)(C)C)CCC1)NC	2017146840	WUWXYTOTDJKOOY-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCCCCNC[C@H]1CC[C@H](CCC)CC1	2017663459	TUIGGERJSLAMQF-WKILWMFISA-N	239.447	4.763	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC[C@H]1CC[C@H](CC)CC1	2017722960	RTNHMFOALLDZMY-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](CC)CC1)[C@@H](C)CC	2017727706	CNCCCMUBAYYCPY-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC)NCC1(CC(C)C)CC1	2018131335	NQLUQTCYVIWUJA-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](O)(CC)[C@H]1[C@H]2CCCCC[C@H]21	2018136512	MANKSKPYJHGXEF-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@H]1CCC[C@@H](C)C1	2018179216	FJNIMDYVKILEFG-PMPSAXMXSA-N	239.447	4.856	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@@H]1CCCC[C@@H]1CC	2019204246	VDFUHOGHYAUYGT-ARFHVFGLSA-N	237.431	4.610	0	10	BJAE	
CCCCC[C@](O)(CC)CC[C@H]1C[C@H]1C1CC1	2019691212	SJZBUSNBTUDFTR-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](O)(CCC1=CCCCC1)C1CCC1	2019767628	LKDJPUXOSRTKFN-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CC[C@H](C)CC2)C1=O	2020390982	HNPPMCDCZOSEQC-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@](O)(CCC)C1CCCC1	2022451620	PMTYMDPMRONJLI-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
O=C(C[C@H]1C[C@H]1C1CCCCC1)c1ccsc1	2022553772	IUUWJZRHSNPFGA-KGLIPLIRSA-N	248.391	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C=C1CCC1)NCCC	2022686354	GLOWSKHZWFKMOP-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
O=C(CCC1CCCCC1)CCC1(F)CCC1	2025236454	HWDJEUMZGXLQFA-UHFFFAOYSA-N	240.362	4.588	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C1C(C)(C)C1(C)C	2026167155	PJVYXPVPDIAKBK-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)[C@H]1CCC12CCCCC2	2027006272	LOUHTHMJRDJGQF-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC1(C)C[C@H]1CCCN[C@H]1CCC12CCCCC2	2027839876	MDIHXLUEXFYQIV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C(C)(C)C1CC1	2028097372	DYXYVBCSAAYYIY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cccc(C2(C)CC2)c1	2032244884	FYRLGUINCGLLEW-XJKSGUPXSA-N	243.394	4.729	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2[C@H]3CCCC[C@H]23)CC1	2032814454	BJLJPWCNUKMKSD-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@H]1CCC(C)(C)C1	2033396736	YCFXLIGHQRRHDV-JKSUJKDBSA-N	249.442	4.703	0	10	BJAE	
CC(C)(C)c1ccccc1C(=O)[C@@H]1CCC1(C)C	2033553585	AVFDLIYZSWJBCG-AWEZNQCLSA-N	244.378	4.603	0	10	BJAE	
CC(C)(C)c1ccc(OC2C(C)(C)C2(C)C)cc1	2034043711	SDNUFBVYROSEIJ-UHFFFAOYSA-N	246.394	4.798	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)C[C@H]2C=CCCC2)C1(C)C	2035561708	GGTMVNLRWCVHNY-JKIFEVAISA-N	248.410	4.764	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C[C@@H]1C=CCC1	2035575943	LNDJDMOMEJHWRZ-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@H](C)[C@H](C)CC(C)C)c1	2036385786	WGGBAAGOHORGAL-BZUAXINKSA-N	247.426	4.716	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CC2CC3(CC3)C2)CC1	2036723200	AGHPHCDIRAQSDB-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@](N)([C@H]2CCC3(CCCC3)C2)C1	2037587275	BAJRNEJSQTVFIZ-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)[C@H]1CCC2(CCCC2)C1	2037690661	NKKYPUGDBMODBS-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC1C[C@H]2CCC[C@@H]2C1)C1CCCCCC1	2038623130	RFTRDFCVPNLEEM-FVQBIDKESA-N	249.442	4.514	0	10	BJAE	
CCCNCC1([C@H]2C=CCCCCC2)CC(C)C1	2038888350	VLKBPZRCNFEFOF-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
NC[C@@]1(CCC2CCCCC2)CC12CCCCC2	2038999570	LQEUZQHRJYIQTC-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CCC[C@@H](C)CC2)cc1	2039374548	LNLKKGCTLFRTMH-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1CCC[C@H](NCCC23CCC(CC2)C3)CC1	2039419083	BEZPUVJKLQUKPE-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC([C@@H](N)CC3(C)CCCC3)C2)C1	2039461578	HLAIORHMJAEDPY-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@H]1C[C@@]12CCCC1(CCCCC1)C2	2040765843	WJMQPAIXDQMUKO-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C2=CCCCCC2)CC1	2041374798	DFEUONQALYVWNG-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@]12C[C@H]1[C@H](C)C2	2042992668	NRSXKYCMDUVKKY-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CNC[C@@H]1CCC=CCCC1)C1CCC1	2045316144	AZBAKHRQQRXGCT-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)[C@H]2CC23CCCCC3)C1	2045508987	XYDMILBTIUEZAK-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1c1ccc(C(=O)C[C@@H](C)C(C)(C)C)o1	2045557831	VPBXMRZYJZEEPB-UTUOFQBUSA-N	248.366	4.658	0	10	BJAE	
CN[C@@H](C1CC2(CCC2)C1)C1(C)CCCCCC1	2045734931	HHVLOGPMXDQTLY-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC=C1CC[C@@H]2CCCN[C@@H]2C1	2048081368	LANLCOAKNWJVMT-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1[C@H]2CCCCC[C@H]12	2048368730	BPQXEWULXRDIDO-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@](N)(C[C@H]1[C@H]2CCCCC[C@H]21)C1CCC1	2048447186	RLZNSIACTUXTJF-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2CC23CCCC3)C1	2049509114	QIRZYMFNNRBMNH-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)[C@@H]1CCC[C@@H](C)C1	2049539426	GQZFSGZFCSTWLN-MRVWCRGKSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(C[C@H]2CCCC3(CC3)C2)C1	2049845118	HDIXOWJYFXDJFD-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CCC1(CC)CCC(O)(c2ccc(C)cc2)CC1	2051609940	RGQLUEZEBBIUED-UHFFFAOYSA-N	246.394	4.563	0	10	BJAE	
CC1(C)CC[C@H](N2CCCC[C@@H]2C2CCCC2)C1	2051674475	KFQUAUXGNQAGPX-JKSUJKDBSA-N	249.442	4.610	0	10	BJAE	
CCCC(CCC)CNCc1ccc(C)c(C)c1	2052164315	GVSVRVUCBXNLNP-UHFFFAOYSA-N	247.426	4.609	0	10	BJAE	
N[C@@H](C1CCCCCC1)[C@@H]1CCCCC12CCC2	2053409753	BDYGGDOUDJXFSO-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@H](N)[C@H]2CCCCC23CCC3)CCCC1	2053410242	DPUAAZGENCDFFI-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC1CC1)C1(C)CCC2(CC2)CC1	2056559281	QVJBWMKOGNJODS-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(CNc2ccc(C3CCC3)cc2)C1	2056726036	RVUHLINDXILPAM-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H]1C[C@@H]1CC(C)C	2056876703	SOUYJGPFYCQHLT-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H]1C[C@@H]1C(C)(C)C	2056883634	PKCINJALAKPWLZ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H](NC)c1ccccc1CCC	2059249033	DLDRWHBBDPRMSW-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC[C@@H]1CC=C([C@](N)(CC)C2CCCCC2)CC1	2061111419	ULRIHJKNDHPYMB-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCC[C@H](C(C)C)C2)CC1	2061114536	YZUPIPGWRPHUSE-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)C(C)(C)C1CC1	2061141088	SBDZDUJEHPCRQK-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@H]1CCC(C)(C)CC[C@@H]1NCCC	2061563800	SLGNMGJRKJQLBE-HOTGVXAUSA-N	249.442	4.692	0	10	BJAE	
COCC1(CCC2CC(=C3CC3)C2)CCCCC1	2061726198	NGGPZWWUMWDPFP-UHFFFAOYSA-N	248.410	4.864	0	10	BJAE	
CCCC[C@@H](NC[C@H](C)CCC)c1ccccc1	2066314507	TTWXGBPWIZMEJY-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
C[C@@H](NC1C[C@H]2CCC[C@H](C1)C2)C1(C)CCCC1	2067522157	VSCSNXSODKMABM-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)[C@H]1CCC1(C)C	2068284850	AMQXOWNLORUUEF-UKRRQHHQSA-N	245.410	4.794	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068703812	NPZFCNZKGLUMJO-XMQYKBBCSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CC[C@H]3C[C@H]3CC2)CCC1	2069336456	ACJOGOLSQMUWIT-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CCOc1cccc(N[C@@H](C)CCC=C(C)C)c1	2070397521	IEYMXCTVWVDXSG-AWEZNQCLSA-N	247.382	4.632	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1CCC2(CC1)CC2	2070408202	NNKQUWMYGMABQF-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(Cn2ccc3ccc(F)cc32)CCC1	2071927166	XNQHEJCDSQOKAG-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
CCCC1CCC(C[C@@H](N)c2ccccc2)CC1	2072800518	FFVSORDSBYJGKD-VMBOVVBDSA-N	245.410	4.683	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)c2cccc(F)c2)CC1	2072869545	RJDZXMRVDYMACB-JOCQHMNTSA-N	248.341	4.615	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CC=C(C(C)(C)C)CC2)C1	2074892825	PTPIPTRNSVBTAD-GOEBONIOSA-N	249.442	4.633	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1N[C@@H]1CCCC12CCCCC2	2079532750	VDHKRADHUZDNNA-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2079851275	KHMQOHHXCJCFSC-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](C[C@H]2CCCC(C)(C)C2)CC1	2082984191	YTRFAOPKVKQDSC-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2C[C@@H]3CCC[C@H]3C2)C1	2083019163	ZWKAMWBPTPNKDK-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1ccc(C)cc1C	2086054595	TWHHADCBVORPKS-GUYCJALGSA-N	247.426	4.910	0	10	BJAE	
CC(C)c1ccc(N[C@H]2C[C@H]3CCC[C@H]2C3)cc1	2086154902	YJDSSKQIJAKJAC-QRTARXTBSA-N	243.394	4.801	0	10	BJAE	
Cc1ccccc1OCCCCCCC1CC1	2213577474	BYJYFEOAVSJGAJ-UHFFFAOYSA-N	232.367	4.734	0	10	BJAE	
CC1CCC(CC[C@H](N)C2CCCCC2)CC1	2214769474	ZGRUURPQAHVEMJ-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
C[C@H](Nc1ccccc1)c1cc(F)cc(Cl)c1	2216169627	OLEQPGMBMNKJJF-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(CCCC2CC2)C1	2216259117	SHISFGOGZLFFBZ-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc2c(c1)SCC2	2216716605	DZAQFMMORAVLKD-NSHDSACASA-N	249.423	4.571	0	10	BJAE	
CCC(O)(CC)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216744325	JTGFJYQUTKNNFQ-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC[C@@](C)(CCCCCCCC1CC1)CNC	2216877579	NUYLGPDTRDZQLN-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CCC(C)C)CC=CCC1	2217143016	TZJFSRIPDLYMCX-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC(=O)[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218334490	RSMMGYJTCJRUDG-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccnc(C(C)C)c2)C1	2220885827	QKXBILVYXRUBLS-KGLIPLIRSA-N	246.398	4.586	0	10	BJAE	
CC1CCC(C[C@@H](N)C2(C)CC3(CCC3)C2)CC1	2221006581	MHPOLWTWUAGMEA-YMAMQOFZSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2(C)CC(C)(C)C2)CC1	2221641889	ZMPPKJKCRXIDDV-KRWDZBQOSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CCC[C@]1(N)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222979151	DQRWWLRXQNDFAT-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](N)CC[C@@H](C)CCCC(C)C	2244844972	JLORRYAUMRUISO-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CCCCC[C@H](N)CC[C@H]1CCCCC12CC2	2246629514	HBWVNAGNVNKREE-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@](C)(N)CC(C)(C)C)C1	2246663739	NFDJUNJXZJXUBN-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CCCC[C@H]1C[C@H]1C	2247119064	JKKAQFIXNQGHPT-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)[C@@H](CC)CCC	2250360357	WUAFGCQBWGAYGJ-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CCCCCCC1CC1	2250371753	NDFVBHWJZGKKJY-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@H](C)C1CCCCC1	2250372345	PFJHTVDXEFWCBC-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC[C@H](O)C1CC1	2250484760	HEJBGPIVHPXCCH-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(O)C[C@@H](C)[C@@H]1C	2250494457	AYZSRBRKSVFWRR-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)[C@H](C)C(C)C	2250495413	IAEBPKNMDMCKFZ-XHSDSOJGSA-N	242.447	4.882	0	10	BJAE	
CC(C)=CC[C@H](O)CC1CC(CC(C)(C)C)C1	2251542972	QDZDJMNGSQJYET-NRXISQOPSA-N	238.415	4.556	0	10	BJAE	
C/C=C/CCCc1ccc2cccc(Cl)c2n1	2252686783	YAJRSCWHNHHTLQ-NSCUHMNNSA-N	245.753	4.787	0	10	BJAE	
CC1(C)C(C)(C)C1(N)CC[C@H]1CCCCC12CC2	2253819408	JIAKWZQCJXVVLQ-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CC2CC3(CCCC3)C2)C1	2254063856	VGPHZFIHOWEPDU-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@@H]1CCC12CCC2	2255018014	NRMKDCDGTBCESZ-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CCNC(CC1=CCCCC1)CC1=CCCCC1	2255063784	NHHKFKFUZIDBLV-UHFFFAOYSA-N	247.426	4.746	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H]1C[C@H]1C(C)(C)C	2255135721	CWFAJQUEHVFZPI-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
COc1ccc2cc(CC3=CCCC3)ccc2c1	2256951194	YKVAANNRRGZTDY-UHFFFAOYSA-N	238.330	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cccc(C(C)(C)C)c1	2257908068	NNHRQLFWDSFCDC-CZUORRHYSA-N	245.410	4.975	0	10	BJAE	
C[C@H](Nc1cc(C2CC2)ccc1F)[C@H]1CC1(C)C	2259125323	FJPHLTHUUGINAQ-GXFFZTMASA-N	247.357	4.550	0	10	BJAE	
CCCN[C@H](c1ccccc1C)[C@@H](CC)CCC	2259443348	LHBFRLXHPFFGQD-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CC(C)(CN[C@]12CCC[C@H]1CC2)C1CCCCC1	2260538591	TUWJBNWSPZHSOZ-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@]23CCC[C@H]2CC3)CC1	2260635616	WWODNOLMNVWQFG-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC[C@]12CCCC[C@H]1CC2	2260635832	XYJANWLSJAJUDD-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CCC(=O)C[C@@H]1CCC12CCC2	2300688469	NPSDNWZWDUBWDC-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CCC(=O)[C@@]1(C)CC=C(C)CC1	2300701325	QLCJUFHLPXSJKR-INIZCTEOSA-N	236.399	4.908	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCCCCC2)C[C@@H]1O	2301239113	MVYDMAOQJLUHTM-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H]([C@H](C)[C@@H](C)C(C)C)C(C)(C)C(C)C	2301865935	BSGSBJUVGRWVHY-RRFJBIMHSA-N	241.463	4.575	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)CCC1=CCCCC1	2301925297	CPIKZTIZAQRVGE-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCC[C@H]2C[C@@H]21	2302824217	HHYPPIBRRJXWCD-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CCC(C)(C)C1)C(C)(C)C	2302878566	QJVWUNFQKIEJJI-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@H]1CC[C@@H]1C1CC1	2303061285	XPJGVQAQQNCFQP-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(CC)CNC1CCC1	2307847525	XJRONZUXKRMEIR-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCCCC12CC2	2307898741	MLEHJIPXUPJNPD-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@@H]1CCC[C@H]2C[C@@H]12	2307926200	MOEUVIALVUBRSQ-YXWQFLTLSA-N	236.399	4.598	0	10	BJAE	
CCC1(CN[C@H]2C[C@@H]3CCCCCC[C@@H]32)CCC1	2309180507	DPQFQAGYAGXLRZ-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC[C@@]12CCC[C@@H]1C2)C1(C)CCCCC1	2310374974	LMSGXOJGJGYQOM-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H]1C[C@H]1C1CCCC1	2311512556	BQMYOCCODOUNIW-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@@]12CCC[C@@H]1CC2	2313330851	RSLCQVRNCWVLIF-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
O=C(CC1=CCCCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316752411	NZXDUXHKWHGCMY-HRCADAONSA-N	246.394	4.662	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@@H]1CCCC12CCC2	2316882890	DJBXPQQEFZXDHA-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C1C[C@H]2CC[C@H](C1)C2	2316884461	LLUVORUIRFNREJ-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
NC1CCC2(CC1)CC(CC1CCCCCC1)C2	2317003413	VDWHKPPUFMGYBC-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC1(N)CCC(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2317005800	ZLJPCZNPBYYBFE-LQWAEYHHSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1C[C@H]1C1CCCC1	2317016894	WECKBZXCKADUPD-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c([C@H](N)[C@@H](C)[C@@H](C)C(C)C)cc1C	2317823359	IUJXFWYKEDXEQA-YQQAZPJKSA-N	247.426	4.540	0	10	BJAE	
C[C@@H]1[C@H](N[C@H]2CCCC23CCCCC3)CC1(C)C	2318174843	IEUYBVAEFLXSOT-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CC(C)(C)[C@@H]2C)cc1	2318259192	PYPMJFWYKAXXES-DOMZBBRYSA-N	244.378	4.675	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CCCC1=CCCCC1	2318549781	ZZZOQBBHSUFFGI-RDJZCZTQSA-N	249.442	4.955	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@]12CCC[C@@H]1CC2	2318570742	XZJJUKYKNOCPQV-WBVHZDCISA-N	246.394	4.807	0	10	BJAE	
C1=C(CCCc2ncccc2C2CC2)CCCC1	2318573720	VRTGTSJIDSFEDT-UHFFFAOYSA-N	241.378	4.782	0	10	BJAE	
NC[C@H]1CCCCC[C@@H]1CCCC1=CCCCC1	2318583152	MBZODESGNOAXIO-IAGOWNOFSA-N	249.442	4.812	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C[C@@H]2CCC(C)(C)C2)c1	2319023448	DWYIDQZAHZVAPK-GOEBONIOSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2319296591	MNPNYOLZYJXYRE-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC[C@H]1CC[C@H]1C1CC1)c1cccc(N)c1	2319737686	MQDGCMATSHASLX-IIYDPXPESA-N	243.394	4.589	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC[C@H](O)c1ccccc1	2320244769	VBFMPXBKRXVBNZ-KBMXLJTQSA-N	246.394	4.573	0	10	BJAE	
CC(=C[C@@H]1CC[C@H]1C(C)(C)C)[C@H]1CC[C@H](N)CC1	2320311495	MRSWEAMWFGNSRA-YHUYYLMFSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC[C@H](C)C[C@H]2C)CC1	2320325908	AMJIRKFUAUWDDU-WBQNTZJQSA-N	249.442	4.667	0	10	BJAE	
CCC1(CC)CCCN1C[C@H]1CCC(C)=C(C)C1	2320387216	FDIKIYKFSPKSFN-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC[C@H](N[C@H]1CCC(C)=C(C)C1)C1CCCCC1	2320406939	UZYPCNDOYQVKDT-IRXDYDNUSA-N	249.442	4.824	0	10	BJAE	
CC(C)C[C@H](C)N[C@H]1CCCC[C@@H]1C(C)(C)C	37118166	JZPVFSABQIUKGT-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](N[C@@H](C)CCC)c1ccccc1	37189510	BACDXOGEYADEMY-GOEBONIOSA-N	233.399	4.696	0	10	BJAE	
CC(C)c1ccc2oc(C3CCCC3)nc2c1	62529695	LMGPUUAZVUAFBG-UHFFFAOYSA-N	229.323	4.609	0	10	BJAE	
CC[C@H](NCCC1CCC(C)CC1)c1ccco1	70538339	FWESVFPIILSVKI-NRXISQOPSA-N	249.398	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC[C@H](N)C1	70742187	QYJOZEQEXMCUDJ-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@@H]1CCCC[C@@H]1NCCC	71084060	MHJUTLPQROYOQO-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1cc(C)sc1C	71085913	WVYGHJVDDWBUPT-TZMCWYRMSA-N	240.412	4.615	0	10	BJAE	
C(=C/c1ccccc1)\CCCNc1ccccc1	76286125	JVJWAAFBINRCGX-WUXMJOGZSA-N	237.346	4.592	0	10	BJAE	
CC(C)(C)c1cc2cc(Cl)cc(Cl)c2[nH]1	83728574	HEVHHXRZKNXVIX-UHFFFAOYSA-N	242.149	4.772	0	10	BJAE	
CCCCC[C@H](NCC)C1CCC(CC)CC1	87937743	VQLSCCBZPOILHE-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CC(C)C)CCCN1	91446509	WFOPKFBTOFOGLK-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCCS[C@H]2C)cc1	94475457	DXHWTYJRPRNNJA-WFASDCNBSA-N	249.423	4.506	0	10	BJAE	
CCCCC[C@@H](NCC)C1(CC)CCCC1	125391039	HXXBWWWWWKHQJP-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
Cc1cccc2c(Cl)cc(C3CCCC3)nc12	133597029	XOXDFLDUWXKEHM-UHFFFAOYSA-N	245.753	4.854	0	10	BJAE	
CCCNC[C@H]1CCCC[C@@H]1C[C@@H](C)CCC	155597459	ZWIFAEZXIVFJTD-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C2CCCCCCC2)C1	158964727	ANYVACXMCDTGLT-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@H](C)CC(C)(C)C	162763700	AKUFKZIUJHJRMQ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(=O)CC1CCCCC1)c1ccccc1	164859988	TUZAPZUZWBFJNO-INIZCTEOSA-N	244.378	4.720	0	10	BJAE	
CCCCCCc1ccccc1OCCC	196871745	LIZXREBYQCZMGP-UHFFFAOYSA-N	220.356	4.598	0	10	BJAE	
CC(C)c1ccc(OCCCC(C)(F)F)cc1	224558683	QIYOYEPHIFKNCQ-UHFFFAOYSA-N	242.309	4.624	0	10	BJAE	
CCN[C@@H](C=C(C)C)c1ccc(C(C)(C)C)cc1	229746935	HTRXFYXHTBDHPZ-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC(C)(C)CCn1ccc2cccc(Cl)c21	232498219	KPKAIJBSXJTVFN-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
CC[C@H]1CCC[C@H](c2ccc3c(c2)CCCN3)C1	234102259	XSNCEBIWBIWLDK-KBPBESRZSA-N	243.394	4.729	0	10	BJAE	
Fc1ccccc1-c1cc2cc(Cl)ccc2[nH]1	247523578	MFIQPSFRQQBDPV-UHFFFAOYSA-N	245.684	4.627	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C[C@H](C)CC(C)(C)C	253054138	XTMADIKJWKJMSZ-MELADBBJSA-N	227.436	4.602	0	10	BJAE	
CC(C)(C)CCCC(=O)CC1=CCCCC1	300828559	HZEMGUAFWLWQJV-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)CCCC(C)(C)C	300915477	SNRQNZLRAKDBEO-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CCC1CCCCC1	302244382	HFKYDLLMOOMLRK-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1ccccc1C1CC1	302425825	USLBYFOEYPBKPI-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CCC1CCC([C@](C)(O)CCC(C)(C)C)CC1	302462776	DZRSFWUSLCAYGJ-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](CC)(C[C@@H](C)CC(C)C)C(=O)O	304174425	MUEXIBRLCJRDBP-ZFWWWQNUSA-N	242.403	4.730	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CCC2CCCC2)C1	305896550	LISBYWBHLBYYHM-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@@H](C)c1ccccc1	308057171	QZNHRKHZCLDORS-CABCVRRESA-N	246.394	4.822	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@H](C)CC(C)C	308062996	UMYPYJDMIYBMJY-BZUAXINKSA-N	241.463	4.848	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC12CCCC2)C(C)(C)C	310254102	KYACHCUVTQBEBG-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2CC[C@H]2C)cc1	310339780	CMDHJJVDNGWKQQ-CZUORRHYSA-N	231.383	4.630	0	10	BJAE	
C[C@@H]1CC(n2ccc3c(F)cccc32)C[C@@H](C)C1	310559967	DVSIQFDCORJTNK-RYUDHWBXSA-N	245.341	4.778	0	10	BJAE	
C/C=C\CCN[C@@H]1CCCC[C@H]1C1CCCCC1	310597487	NCBBJNYRWHELEJ-FMQLDFCNSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](N[C@@H](c1ccccc1)C(C)C)C1CC1	310739879	DKTWMHGDAFRDMY-IAGOWNOFSA-N	245.410	4.552	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC(C)C)CCC[C@H](C)C1	317706176	HQEWEJSYEQJNTF-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
C/C(=C/c1ccc(F)c(Cl)c1)[C@@H](C)Cl	379527253	RZDRAURISRXHRR-GRKOMRHMSA-N	233.113	4.510	0	10	BJAE	
C[C@@H](CC[C@H](N)C1CCCC1)C1CCCCC1	380044797	SXEVHNPIHFIRDV-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)C1(CC)CC1	380764215	QLAFOXVVGZAZKI-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](O)(CCC2CCCC2)C1	383133282	WKCVVZQBAPNCDG-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H](C)c3ccccc32)cc1	386606861	MCFSTZSBQZSPFU-CXAGYDPISA-N	237.346	4.655	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CNc1ccccc1Cl	394859562	OJSLOHRPJGRULN-NWDGAFQWSA-N	237.774	4.578	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@H]1CCC[C@H](C)C1	395130138	QVSHYDAKGFUKSG-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H](C)C1CCC1)CC(C)(C)C	398865080	XHORFHMLNQZGBQ-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
Cc1nn([C@H](C)C(C)(C)C)c(Cl)c1C(C)C	400103779	HLFQUFDAPSOUAH-SNVBAGLBSA-N	242.794	4.575	0	10	BJAE	
CC(C)(CCOc1ccc(Cl)cc1)C1CC1	405966432	RVSQPDLNLCRHNY-UHFFFAOYSA-N	238.758	4.545	0	10	BJAE	
CCCC1([C@@H](O)C[C@@H](C)CC(C)(C)C)CCC1	686925264	BIZOBVMTHCZCBR-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
c1cc2c(c(NCCCC3CCC3)c1)CCCC2	688404719	KXJXDKDJTGVQOI-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
Cc1cccc(N[C@H]2CCCCC[C@@H]2C)c1F	691079890	MWIFFXAQUPJXQP-AAEUAGOBSA-N	235.346	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@]23CCCC[C@H]2C3)CC1	693548697	OYWOKBFSZVVGHS-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
C[C@H](Nc1cccc(C2CCC2)c1)C1(Cl)CC1	695706089	WXPCIWIPISSJGR-NSHDSACASA-N	249.785	4.526	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CCC(C)(C)CC	696562628	XDYMCXBZKRUEDF-GJZGRUSLSA-N	241.463	4.993	0	10	BJAE	
CCCC[C@](CC)(CN)CC(C)(C)C(C)(F)F	697123919	NNLXHRYCJPMXDO-AWEZNQCLSA-N	249.389	4.603	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C[C@H](C)C(C)(C)C	697760104	XULXIOZHIGWBQQ-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CC(C)CCCCCC(=O)C1CC(C)(C)C1	701447056	WUIWPXBEAMMIHZ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
N[C@@]1(CCC2CCCCC2)CCCC12CCCC2	704448109	WIHXESMWKTWETM-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCCC(N)(CCC)c1ccc2sccc2c1	704833415	MPVWAJKMKRVRJS-UHFFFAOYSA-N	247.407	4.656	0	10	BJAE	
C[C@H]1CC([C@](C)(N)CCC(C)(C)C)C[C@H](C)C1	704855110	OQJANBPCMJCTRH-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCc2cc([C@H]3CCCC[C@H]3C)ccc2N1	704878391	DXEVFGDQWJMDBL-IOASZLSFSA-N	243.394	4.727	0	10	BJAE	
CCN[C@H](c1cccc(CC)c1)[C@H](C)CC(C)C	708311519	DZAKIAHAAVJNSP-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CCNCC1(C[C@@H](C)CC(C)(C)C)CCCC1	709104909	MHYRWJQYVYXTJG-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@H](CC)C(C)(C)C)NCC	711071977	PPIHKSNTQHXHAK-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCCCCCC(=O)C[C@@H](CC)C(C)(C)C	711175500	FKSWZEQTEIBPPA-CYBMUJFWSA-N	226.404	4.988	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CC[C@H]2CCCC[C@@H]2N1	712335519	RHIWUOJHYXWPRE-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2C[C@@H]3CCCC[C@H]32)c(C)c1	712414873	AIBWUAKNELVKMR-ARFHVFGLSA-N	243.394	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)C[C@@H]2CCCC[C@@H]21	712484489	WMQOTSLBUJCZJP-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC(C)(C)C(C)C)[C@@H](C)CC(C)C	713143592	NJTMCLQFPZTIBN-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](CC(C)(C)CC)C1	713181580	DPNYRZYEWZLDNN-QLFBSQMISA-N	239.447	4.604	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](CC(C)(C)C(C)C)C1	713303803	FICHDIHHLQGMJG-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
C=C/C=C/CC[C@H](CC(C)(C)CC)NCCC	713725805	MXJGPOVTBHGFFB-BOLDSZDNSA-N	237.431	4.703	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H](C)C1CC1	718592027	FYGVCKJEODMJPB-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)CN[C@@H]1CCCCCC1(C)C	718990949	YLCDIGVSWFABKY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](SCC(C)(C)C)c1cc(F)ccc1F	1459074919	FCSWMCAZNUNBDO-VIFPVBQESA-N	244.350	4.805	0	10	BJAE	
C=C/C=C/CCSc1ccc(C)c(C)c1	1559328778	MWNQHSRLBVOPHV-AATRIKPKSA-N	218.365	4.528	0	10	BJAE	
C1CCC(CSCC2CCC3(CC2)CC3)C1	1653129060	LZLQYFTVVDXAJF-UHFFFAOYSA-N	238.440	4.880	0	10	BJAE	
CCCSc1nc(-c2ccc(C)cc2)cs1	1860795866	OGCOMJQXCORDAP-UHFFFAOYSA-N	249.404	4.621	0	10	BJAE	
CCCC[C@H](C)NCC1(C)CCC2(CC1)CC2	1875708278	DZRPEEMHMJGGDS-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccc([C@H](N)[C@H](CC)CCC)s1	1900668156	LSLLFNUVBQUGEF-BXUZGUMPSA-N	239.428	4.527	0	10	BJAE	
CCCNCC(CC)(CC)CC=C(C)CC	1900822272	DGDXLVAWGWDTTI-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CCCc1ccc(CCC=C(C)CC)cc1	1900897034	GHVFBOSXACETLZ-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H](C)[C@H](C)C(C)C	1901628755	XSHKDDWFPJZHLJ-ILXRZTDVSA-N	227.436	4.602	0	10	BJAE	
CCCCCCc1cc2cc(C)ccc2o1	1901885038	PSADEUIBANKZQG-UHFFFAOYSA-N	216.324	4.864	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC[C@@H](C)CC1	1905367611	ZBJIQODERGUFSG-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1scc(C)c1C	1905380067	CREAXEINSGUPKH-CHWSQXEVSA-N	240.412	4.615	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1ccc(CC)s1	1905450781	QQUAWTULRPXCOM-DGCLKSJQSA-N	239.428	4.527	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@@H]1C[C@H]1CCC	1910747306	IMRSERYHEWCYTM-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC=CC[C@]1(CNC(C)(C)C)CCCC[C@@H]1C	1912085015	GRPNGGQMVBKEHF-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](N)C1CC2(CCCCC2)C1	1912644925	IFKWHOPNJDWAJT-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@]1(N)CCC2(CCCCC2)C1	1915923399	KMKATIGWWKCTRE-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc([C@H](O)C2CC(C(C)C)C2)cc1	1921164789	ZBHSTHQPNJMHHE-JCYILVPMSA-N	246.394	4.526	0	10	BJAE	
C[C@H](CC1CCCC1)NC[C@@H]1CCCC12CCC2	1921636566	PBZYRQWDWTXBEB-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)C[C@@H]1C[C@H]1C=CCCCC1	1925887171	BESQYLBGNGYYQK-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCNc1ccc(F)c(Cl)c1	1926156361	DFOOJEAOKAZNGJ-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
C[C@@H]1CCC[C@H](C=C2CCC(C)(C)C[C@H]2CN)C1	1927147500	MKEHAIKILIBWGE-YCPHGPKFSA-N	249.442	4.524	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@H]2C=CCCC2)C1	1932603930	JMSMITRRBQUJKH-BARDWOONSA-N	206.373	4.805	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)CC1(C)CCCCC1	1940409093	WHJXSRFXZYQPSD-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
c1cc(N[C@H]2C[C@H]3CCC[C@@H]23)c2sccc2c1	1940425280	XQTYWSOAYGXSJU-BZPMIXESSA-N	243.375	4.502	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC(C)(CC)CC	1941355410	MFMWIHZBEQQJAH-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H](O)CCCCCC1CC1	1941572981	ICXCGNVUWVYKMU-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CCCCCC1(C)C	1942655265	HOQPBWSGMCFTHL-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CNC[C@@](F)(CCCCCC(C)C)C(C)(C)C	1944396983	CLIWYEJKIXTQQW-HNNXBMFYSA-N	245.426	4.567	0	10	BJAE	
CNC[C@]1(CCC(C)=C(C)C)CCCC1(C)C	1944475910	QXTZROUCOXLHCM-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C(C)(C)C(C)C	1944661104	OZFRJZIQUNVVRZ-OAHLLOKOSA-N	237.431	4.559	0	10	BJAE	
CC1(C[C@H](N)C(C)(C)C2CCCCC2)CCC1	1944665499	GMSCZDNIPJAARN-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1Cn1ccc2cccc(Cl)c21	1944799720	RCYDRIIATDTWAX-YPMHNXCESA-N	247.769	4.731	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CC[C@@H](C)[C@@H]1C(C)C	1947515606	NESSZQBUBLRKTQ-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948585588	JMOSHOLLZUEWGQ-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)cs1	1948594102	WSLCFMUPNUNQBW-KCQAQPDRSA-N	249.423	4.827	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)C(C(C)C)C(C)C	1949046927	KFZUKVBFOSWCCT-MRXNPFEDSA-N	239.447	4.769	0	10	BJAE	
Cc1cccc2c1ccn2[C@H]1CCC(C)(C)C1	1949494610	YRUOZRYWPFUDEK-ZDUSSCGKSA-N	227.351	4.701	0	10	BJAE	
C[C@H](C(=O)[C@@H]1CCC(C)(C)C1)C1CCCCC1	1949499530	UWQOUIDIQNJIMI-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCCC[C@H]1CC1(C)C)C(C)C	1949826947	XVHNLCQUKAPRFC-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H](N)CC2CCCC2)C1	1949863017	XSIAJRSKZHBDRA-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C1CCCC(CN[C@@H]2CC[C@H]3C[C@H]3CC2)CCC1	1966012646	VVJZSHSCVIHQKL-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(NC[C@@H]2CCCCC23CCC3)CC1	1966064517	HQWHLCYMPLTTMA-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@@H]2CCCC[C@@H]2C1)C1CCCC1	1967859348	CNIANBZXSVWNBH-HZMVEIRTSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CC(Nc2cc(C)ccc2C)C1	1968229132	CJMVLJTYVNVLEO-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
CCC[C@@H](C)N(C)Cc1cc2ccccc2s1	1968853835	IULFCXRFBBDLQN-GFCCVEGCSA-N	247.407	4.522	0	10	BJAE	
CC1CCC(CCN[C@@H]2CCCCC23CC3)CC1	1972742403	HMIDZSROEBMVSM-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)CCC1CC1	1975841335	DSMQXUVKKHBADC-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)C1(CC(=O)c2ccsc2)CCC1	1989444431	KSRQZNDMGLUBQS-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC[Si](C)(C)C	1990877615	RGRVGNVOZCPIDH-CQSZACIVSA-N	243.511	4.615	0	10	BJAE	
CC=CCCC[C@@H](O)CC[C@@H](C)CCCC	1995258437	DOBHZBPPFVABTL-LSDHHAIUSA-N	226.404	4.700	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CCCC)NCC	1995261173	BLTHJIGLIFOJMG-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC(C)C(C)(C)CN[C@@H](C)C1(C)CCCCC1	1995992290	WRYWZUQPZAQVLM-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)CCC2(CCC2)C1	1998692589	DZZVZZIHYVDIHV-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@]2(O)CCCCC2(C)C)C1	2000029196	WVBKLGBMOCDWKF-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(CO)CCCCCC1	2000657731	ADVPEVIISJJZFA-CQSZACIVSA-N	240.431	4.782	0	10	BJAE	
CC[C@@H](C)C[C@@](C)(N)C1CCC(C(C)C)CC1	2002926833	WBNZTEDAEHNBLV-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCCC(C)(C)C1	2002990027	FIGGJHFQMVHWDJ-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCNC[C@]1(CC(C)(C)C)CCCC(C)(C)C1	2002993104	IGSSUBDEYBXPTR-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)(CCC(=O)[C@H]1CC[C@H](C)CC1)C1CC1	2003068954	QDTYCRQVAYSNAK-JOCQHMNTSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC1CCC2(CC1)CC2)NC	2003210989	JVCQZOOKVQDIIA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C(=O)C[C@H]1CCC2(CC2)C1)C(C)C	2003273117	OLBUZWXOZYVSIE-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
Clc1ccc(NC2C3CCCC2CCC3)cc1	2003356328	QQWCPPHPLDXYDI-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
CN[C@H](CC[C@H]1C=CCCCC1)c1cccs1	2003679148	HIWYIFPHYPCWBG-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
CC(C)=CC[C@]1(N)CCC[C@H](C(C)(C)C)CC1	2004227235	RQBKOOUZMBGBIN-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC1=C[C@H](N[C@@H](c2cccs2)C(C)C)CCC1	2006908481	WXMYHEDTKHYRAD-UKRRQHHQSA-N	249.423	4.534	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCC[C@H]1C(C)C	2007623538	VBWJSKXZAZRPNJ-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
CCC1CC(CC(=O)C[C@H](CC)C(C)(C)C)C1	2007774309	GRYLPZGSFZCXJB-RUXDESIVSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CCC2=CCCCC2)CC1	2009405541	ZZCIHHRLELHEAQ-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
C/C=C/CCCN[C@@H](CC)CC1CCCCC1	2011433609	HRUHBUMIYYYFPE-WMHVBEDNSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011972327	XMBKKLGTOLNLKP-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](N[C@H](CC)CCC(C)C)C1CCC1	2013266402	GMOKAKYZEBRCAL-HZPDHXFCSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCCCC[C@@H]1C(C)C	2013482232	BIARYLRWNYWMPO-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)C1(C)CCCC1	2014337807	FKNJDROXXLFIGN-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C)[C@@H]1CCC1(C)C	2014940501	WVYGSNOLYHOAGR-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CNC(C)(C)C1CCCCC1)C(C)C	2016112649	PZSCXXCYEXDSAX-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)CCC=C(C)C	2016150299	SDXMHTTWFJGZHD-HZPDHXFCSA-N	239.447	4.926	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC1(O)CCCCCCCCC1	2016303307	ZUUUBJPSTUXVRO-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCCNCC(C)(C)CC1(C(C)(C)C)CCC1	2017140387	GPNSKYMLHGOPBJ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@](N)(CC1CC1)CC1(C(C)(C)C)CCC1	2017144999	GHWQOLUPPWROPQ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC1(NC[C@H]2CC[C@H](C)CC2)CCCC1	2017723878	VWNGRUZDUXVDBJ-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(C[C@H](NC)[C@@H](C)CC)CC1	2017724167	MHGRRYDZMNWIFT-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCCCCCN(C)[C@H]1CCCCCC12CC2	2019289979	FVEREGNCADDITF-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CC(C)CCCN(C)[C@@H](C)C1(C)CCCCC1	2019298617	BITAGFBMNLBYDR-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCN(CC1CCC(CC)CC1)C(C)(C)C	2019453036	IZUYFKACOMIBAQ-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](O)C[C@H]1C[C@H]1C1CCCCCC1	2022453156	CVNHRTGRIVAVFL-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1C[C@@H]1C[C@@H]1C[C@H](CCC)CCC1=O	2022559138	BYRKEVMZZJIEAK-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC(=O)c1cc(C)cc(C)c1C	2024075363	CECRCBPYJVRDDP-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CCC(C)(C)C1	2026081131	JHGAZCMQDIRQDT-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CC1(C)C)C1=CCCCCC1	2027815451	NRJMKTZZPQATTE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(=C1CCC(C(C)(C)C)CC1)[C@H]1CCCNC1	2028116526	ZQMUVNIQAGIFPJ-VYRBHSGPSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)c1cc(C)c(C)cc1C	2028251698	IQLYLSVPNVFPQY-WBVHZDCISA-N	247.426	4.684	0	10	BJAE	
O=C(CCCCCC1CC1)CCc1ccccc1	2028631861	SUXGNJBKRQYWIC-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCC1CCC=CCC1	2028873360	XYVCVLLDKQMDEC-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C(=O)CC2CCC=CCC2)c1C	2028875294	GZASMAPWQZYYHL-UHFFFAOYSA-N	242.362	4.623	0	10	BJAE	
C1CCCC(NCC2(C3CCCCC3)CC2)CC1	2029743270	NTTGPQWCHFXPNP-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CN[C@H](c1ccc(C)cc1C)[C@H](C)CCC(C)C	2029824940	OGGWMFRZDKZSDI-PBHICJAKSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)[C@@H]1CC12CCC2	2032131179	GLFWQGDQEZSGLM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@]1(CCC2CCCCC2)CC12CCC2	2032132384	PRGNNWMUPGOFTD-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC(C2CC2)C2CC2)C1	2032150097	BVIYIEWLPRANAA-DOMZBBRYSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CCC[C@@H]2C)CC=CCC1	2032502904	NIUIDRZYALXITJ-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H]1CCCC2(CCCC2)C1	2034369917	BDGINMAEZCPFJP-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
N[C@]1(CCCCCC2CC2)CCCCC12CCC2	2035921411	SSAFWBXSOPANHL-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CC2CC3(CC3)C2)CC1	2036725814	VWEFOGWBMUSDTO-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@H](N)C(CC)(CC)CC)cc1	2037054427	SDWJWWMTDVWDBA-INIZCTEOSA-N	247.426	4.855	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1CC[C@H]1CC1(C)C	2037220455	JUNACRFHKRDNDK-RDBSUJKOSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@H]1CCC2(CC2)C1	2038584125	TWUXTOQAWYZEGS-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N)(CCC1CCC1)C2	2038898312	SSMGZZGSWKTXBL-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CNCC[C@@]12CCCC1(CCCCC1)C2	2040766054	YNZOPZXVAPBYFT-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
Cc1cc(C)c(NCC23CCC(CC2)C3)c(C)c1	2041246900	FNXQEPSMEPDPJL-UHFFFAOYSA-N	243.394	4.604	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCCC3(CCC3)C2)C1	2041289130	GAFQZWLIUMNGCY-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC(CC(=O)[C@@]2(C)CC=CCC2)C[C@H](C)C1	2042086674	ITDKTCGQNJUZTG-CPUCHLNUSA-N	248.410	4.764	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CCC2(CCC2)C1	2043603229	DOFZRRQMOQMIFY-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCC1(CC)CCN(C[C@@H]2CCC=CCCC2)C1	2045310473	DFCASDLYIWOUBE-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2CCC=CCCC2)C1	2045318308	UJVSUAKOQWYPIT-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1C[C@H]1CCC=CCCC1	2045328834	IPHJTQLALFKSQB-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1NC[C@H]1CCC=CCCC1	2045329319	MYZXHRGCBJJGAR-INIZCTEOSA-N	243.394	4.852	0	10	BJAE	
CC1(C)CCC[C@@H](CC[C@@H](N)c2ccccc2)C1	2045515568	CKAHPCGPFJLYJQ-GOEBONIOSA-N	245.410	4.683	0	10	BJAE	
C[C@@H](CC(=O)CCCC(C)(C)C)c1ccccc1	2045559593	ALHKEBIHLXISFA-AWEZNQCLSA-N	246.394	4.966	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@H]1C(C)=CCC[C@H]1C	2045750626	WNEJLOKEHCLYTK-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H]1CCCC[C@@H]1CC	2045822405	IASCLICMDYVCMK-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@H]1CC12CCCCC2	2049699810	CZAPEGSELZXAOZ-CABCVRRESA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCCC1)CC1(C)CCCC1	2049790279	HAOBLLBODDMJKP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H]([C@@H]1CC[C@H](C)C1)[C@@]1(C)C=CCCC1	2050008017	GSPWYVOSITYTFE-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(CN[C@]23CCCC[C@H]2CCC3)C1	2050109370	ZOIZRQXBKKVGQU-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](N)CCCC(C)(C)C2CC2)c1	2050461603	XFVXWBCRTBYUTD-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@@H]1C[C@H]2CCCCCC[C@H]21	2051406241	VFOORELLXJODHV-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2CCCCC23CC3)CC1	2053358168	OJACOBJWAIAWHN-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CC(C)NC[C@@]1(CC2CCCC2)CCCC12CC2	2053360713	VSABWLUEPAYWJS-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC=C([C@]2(N)CCCC(C)(C)CC2)CC1	2061113247	NHOPSIJDKBHSCS-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](CC)CC1)C1CC(CC)C1	2061138320	VITIYKVKGRAOEQ-DXCHVLGVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)C1(C)CC(C)C1	2061138841	AOCPOJPGAZYFDS-OGOZQZCJSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1NCC[C@]12CCCCC21CCCCC1	2061513071	PAVTWCPQSFMQNQ-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CC[C@@]23CCC[C@@H]2C3)C1	2061606241	KIJPDOFGBOXNLR-KCYZZUKISA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC1CC(=C2CCC2)C1	2061656481	IPJOVJCGEORRRO-DYVFJYSZSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(C)c(OCC2CC(=C3CCC3)C2)c1	2061707683	UNGIBUSZMXNNJU-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC(C)(CCN[C@@H]1CCCCCC12CC2)C1CC1	2062015952	CGVXECZXAAVJGG-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N[C@H]2CCCCCC23CC3)CC1	2062020117	YEPKJPJGHVQERG-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccc([C@H](O)CCC[C@@H]2C[C@@H]2C)cc1	2062602489	JAVIYSXVIDBVEA-IAOVAPTHSA-N	246.394	4.670	0	10	BJAE	
CC=C=CCCN[C@H]1CCC[C@H](C(C)(C)C)CC1	2067326097	UNUBEBQMFOZJPE-ZEFWMMSOSA-N	249.442	4.692	0	10	BJAE	
CC(C)(C)CC1CC(N[C@H]2C=CCCCCC2)C1	2067968424	PCTITOIUORLEJM-PCKAHOCUSA-N	249.442	4.680	0	10	BJAE	
CCCC1(C[C@@](C)(O)c2cccc(C)c2)CCC1	2069338763	AYBHSXAODZGKHR-MRXNPFEDSA-N	246.394	4.563	0	10	BJAE	
C1CCC(CCNCC2(CC3CC3)CCC2)CC1	2069505195	KIONJHDOGHBVOW-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)CCC1	2071927689	CPTQGVUTXJYVNX-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1C)C1=CCCCCCC1	2072077311	RWPBNRSXLCCFQM-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)c2ccccc2C)CC1	2072700383	KKYHPWIZUAQYGU-ZOBUZTSGSA-N	246.394	4.635	0	10	BJAE	
CCCC1CCC(C=C2CC[C@@H](CC)NC2)CC1	2072819164	RMPSSFZFMFEYED-VMBOVVBDSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H]2CC(=O)CC3(CCC3)C2)CC1	2072880545	XTGWACOKJDZABX-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)C(=O)c1oc2ccc(C)cc2c1C	2072905903	UMEPOPXMLNXAEH-UHFFFAOYSA-N	244.334	4.669	0	10	BJAE	
CCCCC[C@@](O)(CC)c1ccc(C(C)C)cc1	2073341435	KLTIXKRIAAQBSV-KRWDZBQOSA-N	248.410	4.988	0	10	BJAE	
CCCCC[C@](C)(N)c1ccc(CCCC)cc1	2077927541	JEODYQXKULZOFQ-KRWDZBQOSA-N	247.426	4.783	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@@H]1C1CCC1)C1CCCCC1	2079441681	XKOGHSLIUPHDGA-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CNC[C@@H]1C[C@H]1C1CCCCCC1	2079465649	NAMAJZDBCWKUSC-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
C[C@H](CC1CCC1)N[C@H]1C[C@@H]1C1CCCCCC1	2079530850	RSZYLBOESWKJTO-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1OC[C@H]1C[C@@H]1C(C)(C)C	2079810806	CODYZSZFLMSYFB-CABCVRRESA-N	246.394	4.700	0	10	BJAE	
CC[C@](N)(CC1CC1)C[C@@H]1C[C@H]1C1CCCCC1	2079839656	VUBLSMDDBLGODF-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@](N)(CC2CC(C)(C)CC(C)(C)C2)CC1	2082975451	IYFDGRJVYRHIRT-KRWDZBQOSA-N	249.442	4.667	0	10	BJAE	
CCCCCC[C@](C)(N)c1scc(C)c1C	2210555447	KOGNKFFIWFCCEE-AWEZNQCLSA-N	239.428	4.509	0	10	BJAE	
CC(C)CCCCCNCCCCCC1CC1	2213595282	JYEOUYKROXYKTG-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C[C@@H](C[C@H](N)CCCCC1CC1)CC(C)(C)C	2214573650	OQGTXRUZDKZUCB-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](N)C1CCCCC1	2214769449	YUQBWNZSUBPVBA-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H]1CCCCCCC[C@H]1O	2215237907	SJULVXBNPUQVOI-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(N)(CC[C@H]2C[C@@H]2CC)CC1	2215259180	WDYYWCDDVHTYJF-PYBGIAKNSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@H]2C[C@H]2C)CC1	2215326300	XRKFAUUEQYRMMN-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@H](C(C)(C)C)C1)C(C)(C)C	2216257872	NMPIDWIDTMIICS-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](CNC1CCC1)CC1CCCCC1	2217123859	BYTWDJIQKGNBRV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NCC1(C2CCCCCC2)CCC1	2217147484	JUYLKRNVEGUDBN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CCC12CCCC2	2218730572	FUADFLQLDYFGEF-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C1CC2(C1)CC(C)(C)C2	2220962873	QYCKMJXHKHGTMR-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2(C3CC3)CCCC2)C1	2221090038	ICHKWTBIBADBCP-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2C=CCCCC2)CC1	2221638231	ORYFPZYJPYTMOW-WBVHZDCISA-N	246.394	4.829	0	10	BJAE	
CCCCC[C@H](N)CCCCC[C@H]1C[C@@H]1C	2243903675	VQZLLGCFUOSFRY-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@]1(N)CC(C)(C)CCC1(C)C	2245436389	RDWCCFCMGYAPLK-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)c2csc(C)c2C)CC1	2246415616	HBZYJYMANSEDGR-HNNXBMFYSA-N	248.391	4.684	0	10	BJAE	
CCC1([C@@H](O)c2cc3ccccc3s2)CCC1	2246943624	CUGNTYVMIPHFFM-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)C[C@H]1CCC1(C)C	2247311083	BCQHKKPCNQKBFB-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CCC2(C)C)C1	2247429973	AUCLZYWJCHIHMO-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C[C@@H]1CCCC12CC2	2247667644	XNTWSLUNZBDIJS-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)Nc1cc(C2CC2)ccc1F	2250122185	YBHPEGGFJBWVAK-ZDUSSCGKSA-N	235.346	4.694	0	10	BJAE	
CCC[C@H](CC)[C@H](CCCC[C@H]1C[C@@H]1C)NC	2250352806	OWJITWIGFLIMNY-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC(=O)C[C@@]12CCCC[C@H]1CC2	2251163465	QPJKKGSDTZNAKY-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
Cc1cccc2c1N[C@@H](CCCC(C)(C)C)CC2	2253852422	GSNMJQFVMKBBDU-HNNXBMFYSA-N	245.410	4.938	0	10	BJAE	
CCC[C@@H]1CNCCC1=CC[C@H]1CCC[C@@H](C)C1	2253999286	WXOJKMNRYCMAFI-BFYDXBDKSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC[C@@H]2C[C@H]2C)cc1C	2254596335	VGHGMFKYSDSSRK-INMHGKMJSA-N	245.410	4.520	0	10	BJAE	
CCC1CCC(CN)(C[C@@H]2CCC23CCC3)CC1	2254820910	FQQXQVOFEXENOK-PCKAHOCUSA-N	249.442	4.502	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@]1(C)CC=C(C)CC1	2255065212	VDGBPCRYANIPNI-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CN[C@H]1CCC(C)(C)CC[C@H]1CC1=CCCCC1	2255093233	XZNQHEPCBHAIAE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccccc1NCC1=CCCCC1	2255094612	BMKQWVJUMSOJNG-UHFFFAOYSA-N	243.394	4.896	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C[C@@H]1CCCC12CC2	2255222758	BGZZXKLHFYJQFK-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC(N)(CC[C@H]2CCCC23CC3)C1	2255247543	RHKDYAORTCZVAD-TUBUQKNSSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)[C@@]12C=C[C@@H](CC1)C2	2257290113	LXQYTBODVUVZLO-JKQORVJESA-N	246.394	4.518	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@H](C(C)C)C2)cc(C)c1C	2258233747	RIQDWDJMCYILAH-HOTGVXAUSA-N	245.410	4.848	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]23CCCC[C@H]2CC3)C1=O	2260563944	CIAUQLLAZYPNMO-JKIFEVAISA-N	248.410	4.742	0	10	BJAE	
C[C@H](NC[C@]12CCC[C@@H]1CC2)C1CCCCCC1	2260595553	KFYCNFSGHUDWIM-USXIJHARSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(-c2ccc(C(C)=O)cc2)s1	2300614317	ADYNMRPXSXWVAH-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCCCC12CC2	2300679215	QYADPYQQXSSPDP-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1CCC(C)(C)CC1	2300687205	ZRGOIMJSFSVCTE-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC2CCCCCC2)C1	2301137196	GAJDRWQAWIZIEV-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CCc2sc(-c3ccccc3C)nc21	2301281847	UXZAYOHTYHRRJH-NSHDSACASA-N	243.375	4.558	0	10	BJAE	
CCN[C@@H]([C@@H](C)[C@H](C)C(C)C)[C@H](C)CC(C)C	2301836536	NFFWXTDODYZODE-LVQVYYBASA-N	241.463	4.575	0	10	BJAE	
CC[C@H](CC(=O)[C@@H](C)[C@H](C)C(C)C)C(C)(C)C	2301907392	JCXWAKJZJRBONS-HZSPNIEDSA-N	240.431	4.946	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)C1(C(C)(C)C)CCC1	2301954711	CHDCSANUUSJXHV-STQMWFEESA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@H](C)[C@@H](C)C(C)C	2301959276	RLGWPHVVYVEOEC-QKPAOTATSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CCC(C)C)C[C@H]1CCC(C)(C)C1	2302902595	RBLMMXQHXFFHHI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC(O)(CCC)CC[C@@H]1CC[C@H]1C1CC1	2303067195	MXRICOOIKTZZBO-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)Cn1ccc2cc(F)ccc21	2307806766	RJKXSDZTTJKPKQ-LBPRGKRZSA-N	233.330	4.607	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1CCCCCCC1	2307903766	PTHBYROBJFDOAL-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)[C@@H](C)C1CC1	2307905737	YZIHXXJBVFWDFG-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2C[C@@H]3CC[C@H]2C3)cc1	2312877497	LINRNMVYHFGVQL-KBMXLJTQSA-N	244.378	4.625	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313323291	YZAANHDPPMVKJW-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCCN1C[C@H]1CCC=CCCC1	2313614739	VDRQZGQOJVCGHC-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@H]1[C@H]2CCCCC[C@H]21	2316501233	FZQCSYUPARAEPP-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN1CCC2(CC1)CC2)CCCC(C)C	2316516500	HLOCTEGLYWSHLX-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC[C@@H]1CC[C@](N)(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316874055	POXKHURBVMQHNB-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(CC2(CNC3CC3)CCCC2)CC1	2317009256	IRIXZZBJJBMPKC-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@H]1CCC2(CC2)C1	2318567419	FEFFYJFAFVHZKN-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CCCC1=CCCCC1	2318575812	IZSOOYHOTCMEGX-QGZVFWFLSA-N	249.442	4.992	0	10	BJAE	
NC[C@@H]1CCCCC[C@H]1CCCC1=CCCCC1	2318583153	MBZODESGNOAXIO-IRXDYDNUSA-N	249.442	4.812	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C[C@@H]1C=CCC1	2318872029	KLYYIEXWGFFAQN-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC(C(=O)CC[C@@H]2CC[C@H]2C2CC2)C1	2319694895	ACXCZCUBYOJQNU-BOLLXYOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@]1(N)CCC2(CCC2)C1	2320243075	IHNURHLVYWOKFI-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2(C)CC(C)(C)C2)CC1	2320408098	HLBPADZGCOQNTI-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)C=CCCC2(C)C)C1	2321605327	KTLXYNQMFGKYHN-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@]2(C)CC=CCC2)C1	2321639563	LYIHOWZKXPEDBP-YOEHRIQHSA-N	248.410	4.908	0	10	BJAE	
C=COC[C@H](C)CCC[C@@H](C)CC(C)C	2023942	SSOZLSNWPFIHKP-ZIAGYGMSSA-N	212.377	4.635	0	10	BJAE	
CCc1ccc([C@@H](C)Nc2cccc(C)c2)cc1	21012415	NKFZWCXHUMVWIH-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
CCC(CC)[C@H](NC)c1ccc([C@H](C)CC)cc1	35469294	VWLAXSCFCHQSGS-DYVFJYSZSA-N	247.426	4.897	0	10	BJAE	
CSc1cccc(N[C@H](C)C2CCCCC2)c1	37188322	CKXSGSUIFICOCZ-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CCCCCC(=O)c1ccc2ccccc2c1	54439801	SSYVOIOUTSJIRY-UHFFFAOYSA-N	226.319	4.603	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccc(C)c(Cl)c2)C1	70747677	VSOYCXSVWZKADC-NEPJUHHUSA-N	237.774	4.639	0	10	BJAE	
CSc1cccc(NC[C@H]2CCC[C@@H](C)C2)c1	89586145	SEJIVXSMEHQYHB-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(C2CC2)cc1	94523355	BKMHCHLBWHEARA-INIZCTEOSA-N	232.367	4.568	0	10	BJAE	
C=C=C(c1ccccc1C(F)(F)F)C(C)C	106488853	WYHWPHGIRHAWIR-UHFFFAOYSA-N	226.241	4.530	0	10	BJAE	
Cc1cc(C)c2nc(C3CCCCCC3)[nH]c2c1	122366003	BHQAOVYLXZFXHU-UHFFFAOYSA-N	242.366	4.618	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@@H](C)C1CC1	124711416	SPOUXEIMEGNXEW-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)C)c1coc2ccccc12	126734195	LCRUTKHSDGTQIE-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CC[C@H](C)C[C@@](C)(O)c1cc2ccccc2s1	127025357	ZDHVUHOUGZZXRI-XHDPSFHLSA-N	248.391	4.545	0	10	BJAE	
Cc1c(N)cccc1-c1ccc(C(C)(C)C)s1	132086500	VKMRFGMWUIUUMT-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
FC(F)(F)c1cccc2cccc(Cl)c12	149565767	WPBMFZHOGBZLIK-UHFFFAOYSA-N	230.616	4.512	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C1(CC)CCCC1	163386969	IVNAIWJLENYUBV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@H](N)CCC2CCCCC2)C1	168977800	TXTIYAJGLQRAJE-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)[C@H]2CCCCC2(C)C)c1	226910656	NYVCADOSDIDQQU-HZPDHXFCSA-N	246.394	4.553	0	10	BJAE	
CCCCC[C@]1(N)CCC[C@H](CC(C)C)C1	230790051	ZJHXYAVCDPGQLV-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CN[C@H](C)c1ccc(C(C)C)cc1	232993004	GYBAQRXRBILAIY-CQSZACIVSA-N	247.426	4.897	0	10	BJAE	
CCCCCSc1cc(Cl)c(N)cc1C	233085818	RASMDWPXVMPXOH-UHFFFAOYSA-N	243.803	4.513	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2ccc(C)cc2F)C1	235403753	AVBZTCGXERBKPC-GXTWGEPZSA-N	247.357	4.538	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1/C=C/CCCCC1	302525092	WWAULALBQXHGCC-HZRUHFOJSA-N	249.785	4.949	0	10	BJAE	
CC(C)CC[C@@](O)(C1CCCCCC1)C1CC1	302561914	YPADRFUVZYXNGB-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](n2ccc3ccccc32)C1	304973588	YWJVBIHSLDIZIB-HIFRSBDPSA-N	227.351	4.783	0	10	BJAE	
CCC(CC)(CCC1CCCC1)CNC(C)C	305902631	BNTVEHSOFFNRNW-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CC1CC1)NCC1CCCCCCC1	305919543	LNCHUQVADPOCEM-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](N[C@@H](C)CCC(C)(C)C)c1ccccc1	306030563	LDWVFDMIMUSCPS-HOCLYGCPSA-N	247.426	4.942	0	10	BJAE	
CCC[C@@H](CNC1CCCCCC1)CC(C)C	308087335	XZFJWGHKWISGOY-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1(C)CCC1	308115926	VHKSGJZSYVXMSO-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
O=Cc1ccc(Cl)cc1C1=CCCCCC1	309152046	JIDBZKBHPGWQEO-UHFFFAOYSA-N	234.726	4.500	0	10	BJAE	
Cc1cc(C(=O)[C@@H](C)CC(C)C)ccc1Cl	309152238	SYVWBDOXBYHKJR-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@H](CC2(C)CCCC2)C1	310325176	AIXCUJDZEYEAQY-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCC(C)(C)C1)C1CCCCC1	310339663	NSLGXMKXDHNBQC-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(Nc1ccc2sccc2c1)C(C)C	310480970	DHMSVTFLLKNANU-UHFFFAOYSA-N	247.407	4.994	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)c1cccc(C)c1C	310674787	MDJNCFNOFFDHSN-RHSMWYFYSA-N	247.426	4.780	0	10	BJAE	
CC1(C)CCC(C[C@H]2Cc3ccccc3N2)CC1	311003862	NSKRHDXICLYCQG-HNNXBMFYSA-N	243.394	4.630	0	10	BJAE	
CC(C)c1ccccc1[C@@]1(N)CCCC(C)(C)C1	311071223	LSVMMAHXLPSENS-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H]1CCCC12CCCCC2	313005521	BYHQLSSUSSQWLO-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC12CCCCC2)C1CCC1	313057141	XSOMIFHHNVXBGK-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CCNC[C@@]1(CC2CCC(C)CC2)CC=CCC1	316800770	IWOTYUBHVOYPJG-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
C/C=C/CC1(CNCCC)CCC(CC)CC1	318795322	QNKNTFWUKPOTSF-QPJJXVBHSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](N[C@H](CC)C1CCC1)c1ccc(C)cc1	322460781	LGFOOBJVXOHBIP-SJORKVTESA-N	245.410	4.614	0	10	BJAE	
Cc1cccc(O[C@H]2C=CCCCCC2)c1C	379758421	BGDNBXUORDLLHC-HNNXBMFYSA-N	230.351	4.571	0	10	BJAE	
Cc1cc(COc2ccc(C(C)C)cc2)cs1	379775254	UDWRVHXMTXKXFC-UHFFFAOYSA-N	246.375	4.759	0	10	BJAE	
CCCN[C@H](CC1CCC1)C(C)(C)C(C)(C)C	379878835	AHXGEWUTODIXIR-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@H]1CC[C@H](CC)CC1	383076769	RUQNMQBTLPZIQX-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H](N[C@H](C)CC(C)(C)C)c2ccccc21	384453309	JXNIHNXZMVHDQE-ZENOOKHLSA-N	245.410	4.649	0	10	BJAE	
c1cc(N[C@H]2CCC[C@H]3C[C@H]32)c2sccc2c1	386269256	YSPYWSJROCMCQP-XQQFMLRXSA-N	243.375	4.502	0	10	BJAE	
CC[C@H](NCC(C)(C)CC(C)C)c1ccccc1	391193462	XCMCQJMUBZNEPU-INIZCTEOSA-N	247.426	4.800	0	10	BJAE	
C[C@@H](Nc1cccc(Cl)c1Cl)C1CCC1	393638483	ODXLTNLUBDZYIW-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
CC/C(=C/C1(C)CCCCC1)CNC(C)(C)C	394781793	MAVCIHIJASDTNG-OWBHPGMISA-N	237.431	4.681	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@H]1Nc1ccsc1Cl	395636787	HYWPNHQQGGVRPJ-WPRPVWTQSA-N	243.803	4.638	0	10	BJAE	
CCc1cc2scc(C(F)F)c2cc1CC	396164663	BUEWOOSWYORJJZ-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1cc(C)c2sccc2c1C(F)(F)F	396309975	VBQIZGXACMOJMM-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H](C)C(C)(C)C	399304938	KEOPZUIHUPGBSW-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(Cl)ccc1OC1CCC(C)CC1	400840890	DMRDNCNBPXVNAK-UHFFFAOYSA-N	238.758	4.606	0	10	BJAE	
CCCC1CCC([C@H](N)C[C@@H]2CC=CCC2)CC1	402149720	LXJDHPUTJGEJJC-MNAZLIDISA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2CC=CCC2)CC1	402194262	FKIFFCBXJJPKAX-HWOWSKLDSA-N	248.410	4.908	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CCC(C)(C)C2CC2)c1	405770908	ZTVXKKZFXSWHQV-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
C[C@H](C(=O)CCC(C)(C)C1CC1)c1ccccc1	405811437	LXXWOLXPFHMXEX-ZDUSSCGKSA-N	244.378	4.576	0	10	BJAE	
CCCC1(/C=C(\CNC(C)C)C(C)C)CCC1	686132868	MUDQUGKOQGUKAF-RVDMUPIBSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCC(C)(C)CC)CC1	686307514	OLNALFKOHJXAGT-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CCNCc1c(C)cc(C)cc1C	686310650	IUXUHVFCLFKLQO-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
C[C@H](N[C@H](c1ccccc1)C(C)(C)C)C(C)(C)C	687693382	SWGWPBVUVKLDAI-DZGCQCFKSA-N	247.426	4.798	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)CC1CCCCC1	689839293	QZEHTOAUTPYEFF-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
CC1(C)CCC[C@H](Nc2cccc(C3CC3)c2)C1	690075990	NBNDYZVZBQVLAV-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CCSc1cccc(NC[C@H](C)C2CCC2)c1	690129816	JRXPGGOQTQJIMF-LBPRGKRZSA-N	249.423	4.647	0	10	BJAE	
Clc1ccc(OC2CCCCC2)cc1Cl	694959099	HPLUPGGGXFBLGT-UHFFFAOYSA-N	245.149	4.705	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CCC(F)(F)CC1	696547694	VWZILXAFNSLJCY-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC2CC3(CCC3)C2)CC1	697674509	VXTCJZWDGPCHNE-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](c1c(C)cccc1C)C(C)(CC)CC	701203467	AOPXUMAJFBRRKK-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CC1(C)CC(C(=O)c2cccc3ccsc23)C1	701496127	ZCDHIBCQDXUNMS-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CC(C)CCC[C@@H](O)Cc1ccc(C(C)C)cc1	703970920	YOUCCSBYVPHORK-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
CCc1ccc([C@@H](O)[C@@H](C)CC(C)C)cc1CC	704721163	BZPAFPFKYQUFDJ-GUYCJALGSA-N	248.410	4.527	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H](C)CC(C)(C)C	704728052	KCCHUVHSHNFECX-HOCLYGCPSA-N	247.426	4.800	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)C1CCC(C)CC1	709202193	WIJKEGGICQZWPO-KNIAUWFNSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](O)C[C@H](C)CC(C)(C)C)C1	709244801	PWQNJUYBFVKBDU-LJISPDSOSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H](C)CC(C)(C)C	709263006	VCQQDYWLXFMAHA-UKRRQHHQSA-N	228.420	4.780	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@H](C)CC(C)C	709271432	IOFUWORZMABGRC-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](Nc1cccc(F)c1Cl)c1ccccc1	709698632	JCVFWEMVVHZQJX-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@H](C)C(C)(C)C	710744419	JJIYXRUOSKIBCG-GXTWGEPZSA-N	228.420	4.636	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H]3CC[C@H](C3)C2)c(Cl)c1	710924274	JYYSMSZAHVODQB-ITGUQSILSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C12CCC(CC1)C2	711117398	ADBZLWIXJBJUHQ-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H](C)C(C)(C)C	711194076	AAPDDAFREUMKNX-OLZOCXBDSA-N	226.404	4.844	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CC(C)(C)C)CC1	713182088	IQYRINOADIBQQR-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
c1ccc2cc(NCCCCC3CC3)ccc2c1	716400918	NWMVLCUQPPDHLU-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
CC[C@](C)(CCC(C)=C(C)C)CNC(C)(C)C	718778345	ICLMPVZBTQEZBC-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCCCC(C)C	720941673	VRNSVBUNWMBCIG-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](c1cccc(CC)c1)C(C)(CC)CC	721748845	OGWPIYVIODTSID-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2CC(C)(C)C2)C1	723532533	LBIYXZMHTFQSKK-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](NCCC)c1c(C)csc1C	724978671	LFDAKRPJLNBRFM-ZDUSSCGKSA-N	239.428	4.596	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@H]2CCC=CCCC2)CC1	1308547544	MKTFTCYHCHJVHA-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCCc1cc(C)ccc1Cl	1885359245	RAMOWRNHPYTXMJ-ONEGZZNKSA-N	208.732	4.547	0	10	BJAE	
CC(=CC[C@](C)(O)C(C)C)CCCC(C)C	1900874226	IVSAXJFZKTXOLN-HNNXBMFYSA-N	226.404	4.556	0	10	BJAE	
CC(C)=CCCC(=O)CCC1=CCCCC1	1901688337	GTYINGUDROKJGA-UHFFFAOYSA-N	220.356	4.583	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(CC(C)C)CC1	1905301433	LEBXUCXIEFJLKN-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
C[C@H](C[C@H](N)CCC[C@@H]1C[C@H]1C)CC(C)(C)C	1908554354	IQBZYWCBHYAPKB-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CC(=CC1(C)CCCCCC1)CNC(C)(C)C	1911848745	RYJSVGSBKSSOSP-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](C)C1(CNC2CC2)CC2(CCCC2)C1	1912565625	PPEUCGCRZYTGLN-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
Cc1cscc1N[C@H]1CCC2(CCCCC2)C1	1915913238	FHUSVLWBUJOSHX-ZDUSSCGKSA-N	249.423	4.971	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCC2(CCCC2)C1	1916407174	ZMYZLUOQRKIIRE-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H](CC(=O)CC[C@@H]1CC1(C)C)C(C)(C)C	1921412366	GMTYAOTVKVZBBX-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H](C)C1CCCCC1	1924076532	VUFTWFXHFCIAPM-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC1(C)CCCCC1)NC	1935624198	ZSHOSFIJNCWRQY-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC1([C@@H](O)CCC[C@H]2CC2(C)C)CCC1	1940876016	KTRYINDZVJAMGY-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](N)CCCC1CCC1	1941263395	OGADGTKKHLXFNI-HOTGVXAUSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@@H](CC)C(C)C	1941270971	ABFKCNRIMWVUBJ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(CC(=O)C(C)(C)C2CCCC2)C1	1944635179	OMHIIARUHAYNRG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NCCC1(C)CCCCC1	1945432092	JYRMLSFKQMHURN-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1cccc2sccc12	1945956282	FPDTWPGDEUTWRK-ABAIWWIYSA-N	247.407	4.583	0	10	BJAE	
Clc1cccc2c3c([nH]c12)C[C@H]1CCCC[C@H]31	1946274656	LMACMMYPBKMRNM-ZJUUUORDSA-N	245.753	4.651	0	10	BJAE	
C[C@H](C[C@]1(N)CCCC(C)(C)CC1)C1CCC1	1949040791	WGHMRYFNDQBELM-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)CCCC1(C)CC1	1949054517	MKTBEHYNKPUFBB-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCCC(C)(C)CC1	1950914864	UJSZMFQPGZVXLU-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](CC)C[C@@H](C)CC	1963228749	KYCIXEGCVTXPQG-KKUMJFAQSA-N	227.436	4.760	0	10	BJAE	
CCCN(CCC)Cc1ccccc1C(C)(C)C	1964537528	ZRATXSOKMMBULH-UHFFFAOYSA-N	247.426	4.606	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2CC3(CCCCC3)C2)[C@@H]1C	1968346973	UPUVQYMXBPGISC-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CC(C)(CCNc1ccccc1C1CC1)C1CC1	1969417235	WKZUHXGZZQZAMP-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CC(C)CC[C@@H](NC1CC2(CCCC2)C1)C1CC1	1972913761	GSPKFRWZHFUMLR-MRXNPFEDSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H]1CC[C@H](c2cnco2)CC1	1980314643	MVNTUWFGBNBHHQ-JOCQHMNTSA-N	221.344	4.529	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC(=O)[C@@H]1C	1982803319	UQGCQODLSMVRPG-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CCCC1(C[C@](C)(O)CC(C)(C)C)CCC1	1988464838	UHOBIFVDHHNSDD-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@H](C)CCC(C)C	1990903847	ONEBPZJKQDJQHB-CABCVRRESA-N	227.436	4.712	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1sccc1C	1995261711	HBNACCYSKQYSHC-AAEUAGOBSA-N	239.428	4.663	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC(C)(C)CC	1995264487	VVFMLJPPICDRJS-KGLIPLIRSA-N	227.436	4.747	0	10	BJAE	
CCC1CCC(N[C@@]2(C)CCCC[C@@H]2C)CC1	1995644355	CYUFZGFKKONQEN-LBDPXKHJSA-N	237.431	4.514	0	10	BJAE	
CCCc1cccc(C(=O)CCCC(C)C)c1	2000192690	YWARXUQAFNOTNR-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCCN[C@H](CCC1CC1)C1(CCC)CCC1	2000390217	LHDMYCOLWPQVAU-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CCC(C)=C(C)C)CNC(C)C	2000499126	HHMNNSSBSYIQFY-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)CC1=CCCC1	2000499797	NSBDQPNSSWWTTJ-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H]1CC12CCCC2	2001210600	LGVGZQZOXGKQSL-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CC2(C)CCCC2)C1	2002997855	GWEAJWNMMMQRMY-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1C[C@H](N)C1(C)CCCCCCC1	2004922769	KIOJHDBRKYBDQV-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](N)C1(C)CCCCCCC1	2004924008	XBCRDXVUPLKXHZ-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC)CCCCC1(C)C	2005581646	AFGFXJPHBKYRHY-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)Nc1ccc(CF)cc1	2007022097	FNTQWSZBNBLUMG-STQMWFEESA-N	237.362	4.639	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H](C)C(C)(C)C	2009630895	YHQDPLUWUKDFPM-LADOHOGBSA-N	239.447	4.783	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](CCC2CCCCC2)N1	2013526491	OIJDXIMREZSDNI-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1C(C)=CCC[C@@H]1C	2013536039	TWILAYULFRHGMX-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(CC[C@@](C)(N)C1CCCC1)C(C)C	2015359235	CHGWBOLSVJTBMS-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@H](CC)C(C)C)CCC1	2015641273	BXSBOIHSHBVDPP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC1(CCC)CCC1	2015643509	CUPAYWCBFDNKCG-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1(CC(C)C)CC1	2015755403	QZJJIWHCOZSRSX-ZKKXHLJNSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2(C(C)(C)C)CCC2)C1	2017098939	ZVGATYIUEMHLTD-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CCC[C@@H](C)C1	2017485504	FQTZLHPPAAWXMY-VNQPRFMTSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C[C@@H](O)[C@@H](C)CCC)CC1	2017650185	DMEMOOYNUOUNRV-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(O)[C@@H](C)CC)CC1	2017651379	SNPZOKQMDWWDFE-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(O)C2(C)CCC2)CC1	2017652293	FGNVNHNWKAVDQI-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC)C[C@H]1CC[C@H](C)CC1	2017725683	UEDDDZZAZYSGGQ-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](N)(CC)CCC[C@@H]1CC1(C)C	2018136283	JMYTYBZKJGEEKY-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CCC)NC[C@]12CCCC[C@H]1C2	2018588071	QZJWHHUOFGXHFY-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CC2(CC)CC2)CC1	2018968839	YLKUSKFQOWHSDG-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC[C@H](C(C)C)C2)CC1	2019003135	WVXJBGVZADARRK-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(F)(F)CCCC[C@@H]1CCCCCC[C@H]1O	2023304733	AZGNALUEQPHOQB-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
Cc1ccc(C)c2[nH]c([C@H]3CCC3(C)C)cc12	2024286284	JNSAZZNLIMZFJX-CYBMUJFWSA-N	227.351	4.688	0	10	BJAE	
Cc1ccc2nc3c(c(Cl)c2c1)[C@@H](C)CCC3	2024608057	GXKOUKVJCNLSNQ-JTQLQIEISA-N	245.753	4.636	0	10	BJAE	
c1sc([C@@H]2CC[C@H]3C[C@@H]32)nc1C1CCCCC1	2026605095	MAUUAGDVFVDYER-XQQFMLRXSA-N	247.407	4.704	0	10	BJAE	
CCc1cccc(CC)c1NCCCC1(C)CC1	2027843166	OKDJVKJXXCEZSX-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1cccc(CC(C)C)c1	2028264041	NWHKNDWTABXPQA-IAGOWNOFSA-N	247.426	4.567	0	10	BJAE	
CC1CCC(NCC2(C3CCCCC3)CC2)CC1	2029740153	DGRNMUHQWDGEKJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C(=O)[C@@]23CCCC[C@@H]2CCC3)CC1	2031853920	ZSMIXEULLFNUHC-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
C1=C[C@@H](CC[C@H]2CCOc3ccccc32)CCC1	2035555024	JZVMWPCOHLHQNW-CABCVRRESA-N	242.362	4.689	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)C(C)(C)C1CCC1	2035586878	CJLXPTLPHTYBCC-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
NC1(C2=CCCCCCC2)CC(C2CCCC2)C1	2037078642	TTYLGKLQWAROQB-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@H](N)CC2(C)CCCCC2)C1	2037198566	HFJRKHPNVRGKGX-NUEKZKHPSA-N	249.442	4.667	0	10	BJAE	
N[C@@]1(C[C@@H]2C=CCCCC2)CCCCC12CCC2	2037272468	XXSWQTWQZHICJK-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C[C@@H]2C=CCC2)CC1	2037305447	CURAWAOIMVFWLM-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CC1CCCCC1)C2	2038942053	YYYXVBCIXMEZOM-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C=C(C)C)C1CC2(C1)CC(C)(C)C2	2039461451	FQNOKTYMRGXICZ-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC1CCC([C@H](C)NC2CCC3(CC2)CC3)CC1	2040636316	QBWXMDTXYABPAS-SLTAFYQDSA-N	249.442	4.514	0	10	BJAE	
O[C@]1(C[C@H]2C=CCCCC2)CCCC2(CCC2)C1	2041290633	RYIGYKQWTWWGMM-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)c2ccc(C)cc2)CC1	2041374329	ZRXGBLNUWWXFNG-VYDXJSESSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C[C@H]2C=CCCC2)CC1	2041524963	NELOUFUUMYPXAQ-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1C[C@]1(N)CCCC2(CCCCC2)C1	2043453418	JGYLSVFHHQGFFC-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@H](C)CC1=CCCCC1	2043683763	QUJQNTWLQOUNRH-HYVNUMGLSA-N	249.442	4.680	0	10	BJAE	
CC[C@@](C)(CNC1CC1)C[C@H]1CCC=CCCC1	2045323255	KYHJAMFVDMEULG-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2C[C@H]3CC[C@H](C2)C3)C1	2045449822	LZQZRNXESRVAOR-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1CC12CCCCC2	2047054701	GIGCSLAFOYJVMH-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047425768	YNLYNFKGBXJHNP-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](C1CC1)[C@H]1CCCC12CCCCC2	2048120257	JWDMPEKRLOFYIJ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CNC[C@]1(C)C=CCC1)C1CCCCC1	2049979008	KKVBPONHIGIHHB-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@]2(C)C=CCCC2)CC1	2050008864	KJMZHMURRIUIBF-KRWDZBQOSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CC)c1cccc(C)c1	2050431917	SWJJTVZPGKLPDN-RHSMWYFYSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](N)c1ccccc1C	2050459826	AVOYMBLCMQOQPZ-WBVHZDCISA-N	247.426	4.991	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2C[C@H]3CC[C@H](C3)C2)CC1	2051659047	FKSHMWZSXICOPL-BDYLLLIDSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1CC(C[C@@]2(N)CCCCC23CC3)C1	2053307582	POCDCLCLNQHUOR-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H]2CCCCC23CC3)C1	2053353644	ASZVKEHAAPCJQD-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCCC12CCC2)C1CCC1	2053360442	QJRPUKFDGJGLNB-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CC(=Cc1ccccc1C(C)C)CNC(C)(C)C	2053920752	FABNTHYKWJZLEA-UHFFFAOYSA-N	245.410	4.601	0	10	BJAE	
CC(C)C1CC(C(=O)C2(C)CCC3(CC3)CC2)C1	2056537372	WFTWIKFYDHQBHP-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C1CCCC1)CC1CCCC1	2056872703	GKGQJHASIGIVJS-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C/C=C/C[C@]1(CNCCC)CCCCC12CCC2	2057060521	SSGAVJNLUOCGDD-NJELEJDNSA-N	249.442	4.683	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CCCC12CCC2	2059253500	RADPCYHBVQCZOO-TVKHYIBRSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC=C([C@H](N)C2(C)CCCCCCC2)CC1	2060922269	QPQYJGPBWGELGR-HOCLYGCPSA-N	249.442	4.811	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H]1CCC[C@H](CC)C1	2061566064	IYQNDMHGLIGMDX-ULQDDVLXSA-N	249.442	4.692	0	10	BJAE	
CC(C)CC[C@](N)(CC[C@]12CCC[C@H]1C2)C1CC1	2061617454	PILSSXKDUVDTLZ-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CNC(C)(C)C)CC1CC(=C2CCC2)C1	2061741027	GHVKDJSRTLVIBT-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H]2CCCCCC23CC3)CCC1	2062020565	NYFLVYLXKDRTAR-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CC(C)NC[C@]1(CCC[C@H]2C[C@H]2C)CC=CCC1	2062645003	BVXVAEDSGUBMKF-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C[C@](C)(N)C2CC3(CC3)C2)CC1	2064487885	DAFLBEOIDFHCFC-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@H](N)CC23CCC(CC2)CC3)C1	2065281840	KMYZNBDMHYFNDE-LQWAEYHHSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068774360	YGNRSMDRHLFRFA-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)c1ccccc1C(C)(C)C	2068822731	LZUMHUWAXQKNNQ-BBRMVZONSA-N	247.426	4.666	0	10	BJAE	
CC(C)C(C=C1CCC2(CCCN2)CC1)C(C)C	2069005508	XSJPYUYMINZBIZ-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@@]23CCCC[C@@H]2C3)CCC1	2069339589	KXDLLCXCGBAURA-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@](C)(N)c2ccccc2C)CCC1	2069341925	JXNUVCGFUVPFFK-MRXNPFEDSA-N	245.410	4.529	0	10	BJAE	
CCC(C)(C)[C@](C)(O)Cc1ccc(C(C)C)cc1	2072769024	YTMGCZUWKRVDPM-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
CCc1ccc(NC[C@]23CCCC[C@@H]2C3)cc1C	2074048643	YGJCVFCESZOCPY-NVXWUHKLSA-N	243.394	4.550	0	10	BJAE	
C1=C[C@H](N2CCC[C@H]2C2CCCCCC2)CCC1	2075085427	ZYTWDWRJJUTCFI-IRXDYDNUSA-N	247.426	4.530	0	10	BJAE	
CC(C)(C)C1CCC(N)([C@@H]2C=CCCCC2)CC1	2075372265	FLTKQAGLNMYNLO-ISXOHVOVSA-N	249.442	4.667	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1cccc(F)c1C	2077183924	DJFMOGAUAVFPGL-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
c1ccc(C2CC2)c(NCC[C@@]23CCC[C@H]2C3)c1	2077265491	UVOYDVCVEDEECM-WMLDXEAASA-N	241.378	4.556	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2C[C@@H]2C2CCC2)CC1	2079330427	YJNNGNGSYNBQAN-AHNOJICISA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1C=C(CNCC)C1CCCCC1	2079670059	KNGNYVNTKACKKA-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)C1(CC2CC2)CCC1	2079840448	CAUXFWXABJJNEN-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@H]1C[C@H]1C(C)(C)C	2079849955	BULSEEHKSCWJKB-UKRRQHHQSA-N	244.378	4.640	0	10	BJAE	
Cc1cc(C)c(NC[C@@H]2C[C@@H]2C(C)(C)C)c(C)c1	2080018988	JPQBRFOMBFTSNP-GJZGRUSLSA-N	245.410	4.706	0	10	BJAE	
Cc1cc(NCCC(C)(C)C)c(F)cc1Cl	2210736397	DMDISMWLOKVVME-UHFFFAOYSA-N	243.753	4.636	0	10	BJAE	
CCCC(C)(C)CNCCCCCCC1CC1	2213578132	IZFNOYFNQFWOLE-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](O)(CCCCC2CC2)C1	2214562805	LDXNUCWCNJDMSC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)C[C@@H](CC)C(C)(C)C	2215258554	VICLSCFOQWNAIL-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C(=O)CCCCCCCC1CC1)C1CC1	2216877452	MKBQPAPPXIVFEK-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)NC[C@@H]([C@H](C)CC(C)C)C(C)(C)C	2217158576	DCFBTJOJONBYRL-ILXRZTDVSA-N	241.463	4.719	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218331048	IXMRWMKEUMBINY-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CNC[C@@]1(CCCCC2CC2)CCCC12CCC2	2220027953	NKKWAEVHBXZYIX-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1cc(NCC2CCCCCC2)ccn1	2220861684	AOXAYQWSPFFHCF-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CC(C)c1cc(N[C@@H](C)CC2CCCC2)ccn1	2220892200	FWSGLIPGKDQIOC-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2(C)CC3(CCC3)C2)[C@@H]1C	2221041595	TUTWBCMHGGJCFN-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1	2221075350	FJLOUJMZOABCQI-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ncccc1C1CC1	2221418343	FXXJXUUSAQRFOA-AWEZNQCLSA-N	246.398	4.586	0	10	BJAE	
N[C@@H]1CCC[C@H](C[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2222933905	POABGWREDHOIDG-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
NC1(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCCC1	2222934094	QWUUVOQLOAUHTF-BZUAXINKSA-N	249.442	4.645	0	10	BJAE	
C(CCCN[C@H]1CC[C@@H]1C1CC1)CCCC1CC1	2223115015	DLRQDZUVGMCFEA-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
Cc1coc([C@H](N)CCCCCCCC2CC2)c1	2223116693	IJIOADGGPAIFCN-OAHLLOKOSA-N	249.398	4.729	0	10	BJAE	
CCC(CC)[C@]1(CNC2CCC2)CC=CC[C@@H]1C	2223597465	RBTZXUKJOPLEQA-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)C(=O)CC[C@H]1CCC[C@@H](C)C1	2246667050	XQHWURCGRMPYLM-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)CCC(C)(C)C)C1	2246671448	XUIZKBWPDXNLCY-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CCCCC[C@@H]1C[C@@H]1C)C(C)C	2247111912	IDLUCPCNAZZMOH-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CCCC[C@@H]1C[C@H]1C	2247115356	VMKIBCLPYAYAQH-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CC(N)(CCCC[C@@H]2C[C@@H]2C)C1	2247174950	YJDPPMWNENUSKM-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCCNCC(CC)(CC)CC1=CCCCC1	2247526498	WXQMZJNMZIJVGA-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCC(CC)[C@@H](O)c1cc(C)c2sccc2c1	2248567341	JYMBRGCVLUSABT-CQSZACIVSA-N	248.391	4.679	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1(CN)CCCCC1	2248844332	NECHYQUDYCALNQ-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](O)CC1(C)CC1	2250494795	DFGQTLJZHLXREV-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC1CC(CCC(=O)CCC2=CCCCC2)C1	2251773704	WSQJXHGAKKHZDR-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCN[C@H](CC1(C)CC(C)C1)[C@@]1(C)CC=CCC1	2253660134	BINKCCRSSBSHTP-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)C[C@H]3CCC[C@H]2C3)C1	2253995076	INBQWLMTOVXWCA-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCC[C@@H]3CC[C@@H]32)C1	2254004028	QXTLZSUBPPEPIC-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CNCCCC[C@H]2C[C@@H]2C)CC1	2254506281	RFSBFIVGQJTCJL-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CC[C@@H]2CCCC[C@H]21	2254603762	DLHVQTHLRIGKAG-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)C(C1CCC1)C1CCC1	2255017186	LNUWKOYIDSMXHA-CQSZACIVSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@@H]1CCC1(C)C	2255027147	SBXZLNWPRVYTSA-ZQIUZPCESA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@@H]1CCCC12CC2	2255245004	HHUCUWPEGZZXSM-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@H]1CC12CCC2)C1CCCC1	2256495890	SVQYTWFDUBOPCN-BMFZPTHFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](NC)[C@H]2CC2(C)C)cc1	2257127484	WBCXHEZJERQEKY-DAXOMENPSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](C[C@@]12CCC[C@@H]1CC2)C1CCCCCC1	2260586404	HEVWYRZQRKIYMH-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@](N)(c1ccccc1)C1CCCC1	2263786287	LWURXMOEPZYNQM-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)CC[C@@H]1C[C@@H]1C	2298128577	KRHAZBZAEVYSRA-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
C(=Cc1ccccc1)CC[C@H]1C[C@@H]2CC[C@H]1C2	2298437555	QNNQZLRTKXNSEA-ULQDDVLXSA-N	226.363	4.916	0	10	BJAE	
CCC(CC)CC[C@H](N)C1CC(C(C)(C)C)C1	2300680103	AAEWBDNYVSWQJS-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@@]1(O)C[C@@H]2CCCC[C@@H]2C1	2300688105	KFOQFHMIRNHSGA-ZSHCYNCHSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(O)(CCC(CC)CC)CC1	2300691343	SLVIDQSOTZCUSU-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCC(C)=CCN[C@H](C)[C@H]1CCCC(C)(C)C1	2300862967	JNSMTKQFONKVEH-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@H](CCC1CCCCC1)NC	2300877592	SCLPYIVSFQBPOQ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H](C)[C@H](C)C(C)C	2301839909	KEJHYGOOHFMTOI-IIAWOOMASA-N	241.463	4.719	0	10	BJAE	
Cc1ccc(C(=O)CCCC2=CCCCC2)s1	2302353132	BTLGGGAYYMKBAZ-UHFFFAOYSA-N	248.391	4.910	0	10	BJAE	
O=C(CCCCC1CC1)C[C@H]1C=CCCCC1	2302570671	BNPUVURHXMUMOF-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H]1CCC(C)(C)C1	2302684298	BJBSHJSSPYOBIK-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CC1=C(C)C[C@@](CO)(C[C@@H](C)C(C)(C)C)CC1	2303584841	UNGAZVSNEWKKNH-GDBMZVCRSA-N	238.415	4.558	0	10	BJAE	
Clc1cc(CC2CCCC2)nc2ccccc12	2304046056	MAEJFFMTLIFJSD-UHFFFAOYSA-N	245.753	4.621	0	10	BJAE	
CCCC[C@@](C)(CN)CC[C@@H]1CCC(C)(C)C1	2304411934	NEJILPYJRNXFQG-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(C)(C)[C@@H]1NCC	2307899253	BGTRTDKSZSLEGL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C1CCCCC(N[C@H]2C[C@H]3CCC[C@@H]23)CCCC1	2308363322	APRQINSYVUTVTM-OIISXLGYSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](C)c1ccc(O[C@H]2CC[C@@H]3C[C@@H]3C2)cc1	2309130235	OHMDXJBSFSNTSO-MMTVNHQJSA-N	244.378	4.768	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309171823	SYDOSQVMHHCRSZ-OTJKEOIZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(C(=O)CC[C@@]23CCC[C@@H]2C3)C[C@@H](C)C1	2310379532	AIQHNQGBKFTRER-YOKBYHGQSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)C[C@@H]3CCCC[C@@H]32)C1	2311892567	KUMBQFCAZVUQHY-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313187153	RYLVUFWWOUXZFY-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1(CC2CC2)CC1	2316500519	ABMHLEFCFIIBKY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@@H](N)[C@@H]1C[C@@H]2C[C@@H]2C1)CCCC(C)C	2316502083	IVIAIVGWGJLMQH-LTIDMASMSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C[C@@H]1C[C@H]2C[C@H]2C1	2316504285	UGSIETLHKWFRNW-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@H](N)c1ccc2ccccc2c1	2316508169	IMANKUWFZJHRBI-KRWDZBQOSA-N	239.362	4.586	0	10	BJAE	
NCC1(CC2CCCCCC2)CC2(CCCC2)C1	2316997936	FGUDXTDJPLENMO-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)CCC1=CCCCC1	2317906633	JAATURNZEWFROQ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)c1ccoc1C	2318575453	FLKPHNNUFYTZIX-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@@]1(C)CC1(C)C	2318587537	UIWFDJAECFSYNO-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1cc(F)ccc1C1CC1	2319168623	GRRBMNROCNSZQN-OAHLLOKOSA-N	249.373	4.529	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(O)CCCC(C)=C2C)CC1	2320336581	HBSNNJPZCDSBIM-IRXDYDNUSA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2(C)CC(C)(C)C2)CC1	2320408097	HLBPADZGCOQNTI-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
CC(C)CCC[C@@H](N)Cc1cccc(C(C)C)c1	2320665880	MGDUVKZOMIDEDK-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
CCc1cc(F)cc(NC[C@@H]2CCC[C@H](C)C2)c1	2321084960	MJVKHMMHIAHXQX-GXTWGEPZSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2[C@H]3CCCC[C@H]32)C1	2321614119	RRGAYQBRBLLACT-AYDFFVQHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC2(CNC3CC3)CCC2)C1	2321618000	ZZPIWZCEGQSUPQ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2CNC3(CCCC3)C2)C1	2321651250	XLPPMNARIHLQED-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)CN(C)Cc1cccc(C)c1C	2328084544	IOPNHIJERHOUNH-INIZCTEOSA-N	247.426	4.562	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cccnc1C(C)C	2328212928	LHAMSOHFHXRJBR-ZDUSSCGKSA-N	247.382	4.604	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1ccccc1C1CC1	2328214576	YDQGDJHTOPHHJE-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CC(C)CCN[C@@H](C)c1ccc(C(C)C)cc1	19230680	CSECDBFBULPNTO-AWEZNQCLSA-N	233.399	4.507	0	10	BJAE	
CCCC1CCC(Nc2ccc(F)cc2)CC1	20014841	XUXATBZGDDEAFP-UHFFFAOYSA-N	235.346	4.597	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H](C)c2ccccc2)c1	21801867	SRPKWUZKTXLSTB-OAHLLOKOSA-N	239.362	4.519	0	10	BJAE	
CCCN[C@H](c1cc(C)ccc1C)[C@H](C)CCC	35581595	XKOYXLXSSQXGQC-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
CCC(CC)CNc1ccccc1C(C)(C)C	36956498	JUBFYFRDIRFRMU-UHFFFAOYSA-N	233.399	4.832	0	10	BJAE	
C[C@H](c1ccccc1Br)C(C)(C)C	60297258	DNZXAKPPCWWGEZ-SECBINFHSA-N	241.172	4.599	0	10	BJAE	
Cc1cc(C(=O)CC(C)(C)C)c(C)cc1Cl	70023510	RZAVFNCSYDMROZ-UHFFFAOYSA-N	238.758	4.576	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CCC(C)(C)C)C1	71083865	BPLCJPHWFNSGPN-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCc1ccc2c(ccn2[C@@H](C)c2ccccc2)c1	75233148	DPHNBMPBPLRWNX-AWEZNQCLSA-N	249.357	4.813	0	10	BJAE	
C[C@@H]1CC(Nc2cccc(Cl)c2)C[C@@H](C)C1	82829395	PTRTVUWBMSVLKZ-QWRGUYRKSA-N	237.774	4.577	0	10	BJAE	
CCCC1CCC(C(=O)CCC(C)C)CC1	83780155	TZIVHULKISFGSO-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCc1ccc(COc2ccc(C)cc2C)s1	85154985	TXXFEQOSZUJJHW-UHFFFAOYSA-N	246.375	4.506	0	10	BJAE	
Cc1ccc([C@H](N)C2CCCCCCC2)cc1C	86578861	NRWOWTNEAGXEQB-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CCCC[C@](CC)(CNCC)C(CC)CC	87172811	DFTDWUHCAGDWQJ-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H](C)C[C@@H](CNC(C)(C)C)c1ccccc1	88098977	MWNHXSRWCJSEQN-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](N[C@H]2CC=CCC2)CC1	88747970	VLDABCXIRHKXBM-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
CCC(CC)[C@H](O)C1CCC(C(C)(C)C)CC1	94676307	MRZFLHVHOMGRJZ-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)c1ccc(/C=C/CCC(C)(C)O)cc1	98128289	VCAYCXADMGTGSD-IZPAUZPXSA-N	246.394	4.764	0	10	BJAE	
CC[C@@H](C)c1ccc2c(c1)C(=O)CC(C)(C)CC2	110268229	SPVOTHBSEZDIRO-GFCCVEGCSA-N	244.378	4.745	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1cccc(C)c1	111817367	NUJDNPOJRPRJDF-GOEBONIOSA-N	234.383	4.635	0	10	BJAE	
CC(C)Cc1ccc(-c2cccc(F)c2)cc1	112732725	CKJJPBQESMKZJM-UHFFFAOYSA-N	228.310	4.691	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@@H]1C(C)(C)C)C(C)(C)C	122546946	OIZOEIMASGIBTL-MELADBBJSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@@H](NCC)c1cc(C)c(C)s1	125362127	RVDOSABLZBPJGY-CYBMUJFWSA-N	239.428	4.596	0	10	BJAE	
CCCc1cccc(C(=O)C2(CC)CCCC2)c1	127548270	HGABRDBBZFNLHQ-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@H](O)c1ccccc1	128952476	HNNNJOGOZGWFST-ZOBUZTSGSA-N	248.410	4.963	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@@H](N)CC[C@@H]2C	136910808	REBWOPMSCJCNBZ-LRDDRELGSA-N	245.410	4.831	0	10	BJAE	
CC1CC(N[C@@H](CC(C)(C)C)c2ccccc2)C1	163665935	UKIVFOHYIVKBES-BCLQGDPASA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCCc1ccccc1	165188480	JPWGQSBKJDWHMV-INIZCTEOSA-N	246.394	4.795	0	10	BJAE	
CC(C)CCC[C@H](CNC(C)(C)C)CC(C)C	166061081	YLSJUTJXDXCLFX-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCCCC1CCC([C@@H](CC)NCCC)CC1	166810663	FBKVWVXGUMBLOT-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCNCC1(C2CCCCCC2)CCCCC1	168014666	KVOCKKZTHRQZHK-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCCCC[C@H](O)c1cc(Cl)ccc1C	168250713	OJGGXWJFTDTYQM-AWEZNQCLSA-N	240.774	4.652	0	10	BJAE	
CCC1CCC([C@@H](N)CC2CCCCC2)CC1	203532807	SFJFYNRTJJBFEM-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)[C@@]2(c3ccccc3)CC=CC[C@]12C	206581066	JYNDXLAKZXPIKZ-IAGOWNOFSA-N	224.347	4.631	0	10	BJAE	
CCCCCC[C@@H](C)[C@@H](CCC)NCCC	212755527	WBHXPZLOGNNDFG-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
Cc1ccccc1N[C@H]1CCCC[C@H]1C(C)C	214434571	SKBHMKKNGLPKJY-HOCLYGCPSA-N	231.383	4.622	0	10	BJAE	
CCC(=O)c1ccc(SC2CCCCC2)cc1	232923239	RDVZOUYPBJMDKS-UHFFFAOYSA-N	248.391	4.704	0	10	BJAE	
Cc1ccc([C@H](C)NCC2(C)CCCCC2)cc1	235526047	CCYPBMQSBZLEOW-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@H](C)CNC(C)(C)C	251561980	BNTBIQGPLFBDPP-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1/C=C\CCNC(C)(C)C	252657778	HTGWTDSEBNUWOP-DHDOUQCBSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc2cc(CSC(C)C)sc2c1	257914654	QHLPVNJRPPPRHU-UHFFFAOYSA-N	236.405	4.851	0	10	BJAE	
CC(C)(C)[C@@H](N)CCCCC1CCCCC1	300812303	XPUPMPWIHLHYTL-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@H](C)CC(C)C	301010060	YPRYRFAKGAFFQE-DZGCQCFKSA-N	228.420	4.636	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)C1CCCCCCC1	305905972	CTOUWDGKCJZYSA-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CSc1csc2c(Cl)ccc(Cl)c12	306593032	IRLQIRUZGXRPGG-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCc1ccccc1C(=O)[C@H](CC)CC(C)C	308053280	ISOUZGKHVWUBMH-CQSZACIVSA-N	232.367	4.504	0	10	BJAE	
CC[C@](C)(CNC(C)C)C[C@@H]1CCC[C@@H](C)C1	310162649	RNUIUANYSNRCBB-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(N)CCCCCCC1	310210407	GIBXVOHRGHZNGI-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1n1ccc2c(F)cccc21	310560760	YLYZXOBQHWTVKS-WFASDCNBSA-N	245.341	4.922	0	10	BJAE	
Cc1ccc(NC(C2CCC2)C2CCC2)cc1C	310739728	QNYHGVNUBGJYDL-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CCC[C@@H](NCCCCC(C)C)C1CCCC1	313417334	WNEIWZJAEOUKEM-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@H](C)Oc1ccccc1C(C)C	319598943	LQGXWKHMKMNDSU-STQMWFEESA-N	220.356	4.623	0	10	BJAE	
CC[C@@H](NCCC1=CCCC1)c1cccc(C)c1	380745839	MDDICXNCWCXQOS-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CC(C)CCCCC[C@H](O)c1ccc(Cl)o1	383582915	WIJXYTVJRNPBAH-NSHDSACASA-N	244.762	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CCCC[C@H]2C)C1	384976526	IZUMNHOKZGVTIM-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(NCCC2=CCCCC2)c(C)c1	385039438	NEVKRYVVRDEDHQ-UHFFFAOYSA-N	229.367	4.606	0	10	BJAE	
C[C@H](CN[C@@H]1C[C@@H](C)c2ccccc21)C(C)(C)C	385771073	VTKXZONHSKPMHK-XJKCOSOUSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@H](C)/C(C)=C/C1(C)CCCCCC1	394808630	YOYRLNDPTVKBRW-SZGUKTLCSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)Cc1ccccc1	394853229	GRVAPRHUSVPJDB-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
Cc1cccc2c1ccn2C[C@H](C)c1ccccc1	395150590	WUWXOXCCIGNXJK-HNNXBMFYSA-N	249.357	4.753	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CCCCC2)[C@@H]1CC1(C)C	397813212	OVBOLZYHRKPSHP-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C)/C(C)=C/[C@@H]1CCCC[C@@H]1CC	401635607	BTCWVLYPSUBQQE-XORASFEYSA-N	237.431	4.537	0	10	BJAE	
CCC1(CNc2c(C)cc(C)cc2C)CCC1	687526323	IUAKDLZYYLZRIB-UHFFFAOYSA-N	231.383	4.604	0	10	BJAE	
CCCC1(CNCCCCCCC(C)C)CC1	687545205	DLXYDPNYYRMDJD-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)CCCC2CCC2)CC1	688425842	XGYWPFWBZWFIOT-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1cccc(C(C)(C)C)c1	691710787	LNCKDBZEINPJDR-CYBMUJFWSA-N	246.394	4.849	0	10	BJAE	
N[C@H](C1=CCCCCCC1)[C@@H]1CCCC2(CC2)C1	695987456	XYCKVLDZWFSDNQ-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CC(C)=CCCC1(N)CC(C)(C)CC(C)(C)C1	697769885	SWXBHBPNGWRBNR-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C(C)(CC)CC	701154021	VCDSIHZPICALAM-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C1CC(C)(C)C1	701430351	DRRFBGWVRLXBPG-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@H]1C[C@@H](C)c2ccccc2N1	704879423	QDMMMKONQGKQKL-ZOMKSWQUSA-N	243.394	4.801	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC[C@@H](C)C1)C1CCCC1	704914864	PXUZRSARPZYFSA-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CCC[C@H]32)cc1Cl	707856387	FNTZXVRTTVCHLO-UXIGCNINSA-N	249.785	4.639	0	10	BJAE	
CCCCC[C@H](NCCC)C12CCC(CC1)C2	710900623	BAUNDCBMFZYITA-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CCNC[C@H](C[C@H](C)CC)C1CCCCCC1	711290972	AMNZKWJKSPRFKU-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CCC(C)(C)CC	711293273	JVPDBZCJTFANSB-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@H]2CCCC[C@H]21	712530295	FBYATXQUJJWEOU-ZJIFWQFVSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(N[C@@H]2CC(C)(C)CC[C@@H]2C)ccc1F	713068519	VXLUXWOPALKVSB-XHDPSFHLSA-N	249.373	4.761	0	10	BJAE	
CCCC1CCC(O)(CC(C)(C)CC)CC1	713139014	SYZZXFUJYDVUNB-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](CC(C)(C)C(C)C)[C@@H](C)C(C)(C)C	713145313	YPYWBHQHALNFQJ-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC(C)(C)C(C)C	713189445	IMPHJQKQSZPEMM-UONOGXRCSA-N	227.436	4.602	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)c1cc(C)cs1	713225655	BGZIJMCSEGRGNS-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C[C@H](C)C(C)(C)C	718601516	QLNUXJXXIQDCSM-KBPBESRZSA-N	226.404	4.556	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCCc2cccnc21	718643997	AIMQBSBVAUFMGW-HNNXBMFYSA-N	229.367	4.638	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CC[C@@H]2CCC[C@H]21	722043931	IIPKUNGVUUAMQI-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CC(C)(CC1CCCCCC1)NCC1CCC1	1559756556	CAAFVGHVZQXLBR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc([C@@H](C)S[C@H](C)C(C)C)c1	1640954492	ASAATYLICRBTGY-CHWSQXEVSA-N	222.397	4.834	0	10	BJAE	
CCN(C1CC1)[C@H]1CCCC[C@@H]1C1CCCCC1	1652619796	DMMNBOLEABLFCD-SJORKVTESA-N	249.442	4.610	0	10	BJAE	
C[C@@H](C=Cc1ccccc1)c1ccccc1	1857790834	GNQWHYWLSGTMSL-AWEZNQCLSA-N	208.304	4.504	0	10	BJAE	
CC1CCC(NCC2(C)CCC3(CC2)CC3)CC1	1875708452	HQSWMHYIKNOPSV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CCc1c(Cl)cccc1Cl	1887855552	URNJWSSRADOBTH-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
Cc1cc2c(C(C)C)ccc(C)c2nc1Cl	1900569453	PRNNQTRAHVVGCS-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
CCC(CC)NCC=C(C)CCCC(C)C	1900826603	LXOSMLVIIZUVKD-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@H](C)CC	1900838603	BOTJMPNUXWNMKZ-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](C[C@@H]1C[C@H]1C1CCCCCC1)C(C)=O	1910794924	PWHBEIVWUWLJLQ-BMFZPTHFSA-N	236.399	4.598	0	10	BJAE	
CCC(=C[C@H]1CCCC[C@H]1C)CNC(C)(C)C	1911979009	BAKIYZMSEDXGAN-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC1CC(C)(CN[C@H]2CCC3(CCCCC3)C2)C1	1915882323	WXUNXJFTOPCYIO-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCC2(CCCCC2)C1	1915901022	BROMRTPSXXZYKW-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC(C)c1ccc([C@](C)(N)CCCC2CC2)cc1	1920440092	IBSGFVOWIZGRMB-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC(C)=CCC[C@@H](O)[C@@H](c1ccccc1)C(C)C	1921292101	LFEBVRIIBXIPON-IAGOWNOFSA-N	246.394	4.534	0	10	BJAE	
Cc1ccc(NC2C[C@H]3CCC[C@H](C2)C3)c(F)c1	1923469726	ARBVJAQUVQZVDF-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H](C)C2CCCCC2)c1	1924101176	PYNSBUOFHTZBDZ-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CC1(C)C(C[C@H]2C=CCCCC2)C1(C)C	1925814260	JKFFKSFAGMJSAR-LBPRGKRZSA-N	206.373	4.805	0	10	BJAE	
CC(C)CC[C@@H](NC[C@@H]1C=CCCCC1)C1CC1	1925819975	NPENOHDROMJBOY-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1C=CCCCC1)NC	1925900137	CXHPKIQNLKJNBP-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCCC1)C(C)(C)C	1925915131	LPBCMQNDJPUZTC-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C(=O)c1cc(C)c(Cl)s1)C(C)C	1927986063	KZLAXDGGDCNUHX-SECBINFHSA-N	244.787	4.575	0	10	BJAE	
Cc1sc(Cl)cc1[C@@H](O)CCC(C)(C)C	1933589058	PVLILIUDCKDIHS-JTQLQIEISA-N	246.803	4.570	0	10	BJAE	
Cc1sc(Cl)cc1[C@@H](N)CCCC(C)C	1933696552	OGOFNKATHMNTOT-NSHDSACASA-N	245.819	4.536	0	10	BJAE	
CC[C@H](C(=O)c1cscc1C(F)F)C(C)C	1936211330	SJCBWKLGMVCCEJ-QMMMGPOBSA-N	246.322	4.551	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)CC1CCCCC1	1940242664	FNJXMLOMTBTPJM-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)CC1(C)CCCCC1	1940377700	HBVGHLJXAMAIOU-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)NC[C@H](C)[C@@H](C)CC1(C)CCCCC1	1940411615	XLBCGEIMNJVFEY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC1CC(C)C1	1940685899	ASGDBMHMXLCPMJ-UHFFFAOYSA-N	232.367	4.543	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CCCC1(C)CC1	1940868784	IIXWEVPIDJPIAV-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)C(=O)CCC[C@@H]1CC1(C)C	1940877537	RHQLCNXUTUFQMK-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)CC1(C)CC1	1941595969	KOBOGKSXAPPBIT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCNC1CC2(CCCCC2)C1	1941799691	GLMHQZGPWBZXMD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](C)C(=O)c1ccccc1	1942663620	UDNLFGXYUFDZQG-UONOGXRCSA-N	232.367	4.578	0	10	BJAE	
CC(C)(C)CC[C@H](O)[C@]12CCCC[C@@H]1CCC2	1944148915	VOGFQAGLZUZOEA-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)C)CCCC1(C)C	1944481300	RNRFAFXFOZRCGY-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](CC(=O)C[C@H]1CC[C@@H](F)C1)C(C)(C)C	1945205057	CMBSHVLNSCCLKS-YNEHKIRRSA-N	242.378	4.546	0	10	BJAE	
CC[C@H](C)c1csc(C2C[C@H]3CC[C@H](C2)C3)n1	1945330590	UCNBJYVYJIKGCB-SRVKXCTJSA-N	249.423	4.950	0	10	BJAE	
CCCC1CCC(C(=O)CCC(C)(F)F)CC1	1948001839	VQOAHTGOPBYKPD-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](CC)N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	1948597441	XQPACONUCCFYLG-ZJIFWQFVSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc2ccn([C@H]3CCC(C)(C)C3)c2c1	1949493115	JWTIBPRFXIBNNM-AWEZNQCLSA-N	227.351	4.701	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@H](C)CCC(C)C	1949864028	IQTZFMWRAIPCJW-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C1CCCCN(C[C@@H]2CCC3(CC3)C2)CCCC1	1970134084	HCHUOWAYNWDIDR-MRXNPFEDSA-N	249.442	4.613	0	10	BJAE	
CCCCCC(=O)C[C@@H]1CCC=CCCC1	1978274997	UTPKOZPBTGLWMF-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
C[C@H]1CCC[C@H]1n1ccc2ccc(Cl)cc21	1982615616	IAZDNKAEEKANTB-GXFFZTMASA-N	233.742	4.656	0	10	BJAE	
C/C=C/CCC[C@H](O)C[C@@H](CC)C(C)(C)C	1984608913	YTSWLAPCFCBRTD-RNUUNTDPSA-N	226.404	4.556	0	10	BJAE	
CC=CCCC[C@H](N)[C@H](CCC)CC(C)C	1984637191	ABWGTAHHOWZODH-CABCVRRESA-N	225.420	4.523	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)CCC=C(C)C	1988793585	AHSMMBAUMYZKHJ-KGLIPLIRSA-N	225.420	4.536	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)[C@H](C)CC(C)C	1995261201	BWSYHRLJILXTOF-RRFJBIMHSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](C1CCC(C)(C)CC1)[C@@H](N)CC(C)C	1996593892	IHDBDNAOKVVKNH-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CCC(CC)[C@@](N)(CC)C1CCC(C)(C)CC1	1996595881	ZCWLEFMAZKFVJI-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@@H]1CCCC[C@@H]1C	1996612304	XIGUMLNCVPFRFK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC1CC(C(C)(C)C)C1	1998262822	MMAVWFNZTYQJOY-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@H]1CCCC(C)(C)C1	2000039788	ZKSGABZKKSHDCA-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@H]1CCCC(C)(C)C1	2000044343	IIEXLXIJSOILQO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@@H]1CC=CCC1)NC	2000321943	RYPPDHVQPBBYBZ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H](C)[C@H](C)CC	2000380545	WCYAHHAACODUOH-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CC[C@H](CNC2CCCCCCCC2)C1	2003098087	DDVVHLKVJGQTTO-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C[C@@H](O)[C@H]1CC[C@H](C)CC1)CC(C)(C)C	2003098583	GXQMPSDJZRIYMD-ZQDZILKHSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CCC(F)F)NC1CCCCCCCC1	2003102112	WJRZAEKLXTYYCL-GFCCVEGCSA-N	247.373	4.513	0	10	BJAE	
OC1(C[C@@H]2C=CCCC2)CCCCCCCC1	2003110395	CVNNCALYXIOGJR-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@@H]1CCCC2(CC2)C1	2003275538	OGOAGPDGJHCJMJ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
Cc1scc(C(=O)C[C@@H]2CCC3(CC3)C2)c1C	2003282331	NBJPXIJSQHTQQH-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCC(C)(C)CCC1(N)C2CCCC1CCC2	2003323106	IOLVQBXGYUCSJS-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(N)([C@@H]2CCCC[C@H]2C)CC1	2004342127	PPTNRCRIZSDWKB-WXLSXGNJSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(Nc2ccc(F)cc2)CC1	2004342558	TXXUUUAGERTSSW-UHFFFAOYSA-N	235.346	4.597	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1CCCCC12CCC2	2005563410	KGVYPHWJBKUXDD-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CO)CC1(C)CCCCC1	2005584179	UQPWJZSFYQZSPA-HOCLYGCPSA-N	238.415	4.536	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@@H]1CCC[C@@H]2C[C@@H]12	2008271127	CZVQZCOQOGQFQE-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@H](C[C@H](C)C(C)(C)C)NCC	2009619057	ICRBIKRNUMHWLS-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CC[C@H]1CC=C([C@@H](CC(C)(C)CC)NC)CC1	2010767376	GFDGKJJQTIOIFO-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(N)CCCCCC12CC2	2011274323	JOZSNOBOUBHCKC-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)C1CC2(CC2)C1	2012414441	VYHDBGIEGRPRGA-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](N)(CCC(C(C)C)C(C)C)C1CC1	2015360572	JMHMGQGIFIUZDO-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC1(CC)CCC1	2015600140	YDXNAXJANNIOAX-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](CC(F)F)C[C@@](C)(O)CCC=C(C)C	2016142844	BSHTVGBBGBIEIZ-JSGCOSHPSA-N	248.357	4.555	0	10	BJAE	
CCCCC[C@H](C)NCC1(C(C)(C)C)CCC1	2017136717	NAJLMJXUFUUBDI-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](N)(CC1(C(C)(C)C)CCC1)C1CCC1	2017147508	DTGBULJHWBNJAH-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CN[C@H]1CCC[C@@H](C(C)C)CC1	2017469622	TULLXJNJDOOXPI-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](CC(C)(C)C)NC)CC1	2017658478	MYPVLCIOABJEFP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@]1(C)NCC1(C)CCCCCC1	2017868666	NMYVWYHIAHFMIO-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@]2(C)CCC(C)(C)C2)C1	2017911681	GMKSDEIHWJDFLW-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@H](C)CC(C)(C)C	2018181954	CXOFDFUQGZBLAN-CABCVRRESA-N	241.463	4.959	0	10	BJAE	
CCCCC[C@@H](CC)N(C)[C@@H]1CCC(C)(C)C1	2018186672	GAGBBKYWWWNELI-HUUCEWRRSA-N	239.447	4.856	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)[C@@H](C)CC(C)(C)C	2019000894	SXFGBIOHUYEWNJ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCCCN1[C@@H]1CCCC[C@H]1CC	2019204553	XLVVDLGMNIUWCB-OWCLPIDISA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@H](NC)C(C)(C)C1CCCCC1	2020966577	OXCUYLCELPPXIZ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@H]1C[C@@H]1CCC	2022456666	HZSXQKFWAUKVTH-HRCADAONSA-N	239.447	4.571	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC(F)=C1CCC1	2023352387	YFRQHLGWDFAWSF-CQSZACIVSA-N	241.394	4.685	0	10	BJAE	
CN[C@H]1CC(C)(C)C[C@H]1CCCCCC(C)C	2023616862	OXNKOQJBEOEVIY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@]2(N)CC(C)(C)C2(C)C)CCC1	2025003750	LFCFFGAFZOOILM-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@H]1CCCC[C@H]1C	2026166741	MCTMSKVSOZIUJE-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1[C@H](C)CC[C@@H](C)[C@H]1C	2027792961	JBAOEWHWUAIJPQ-BPGGGUHBSA-N	249.373	4.617	0	10	BJAE	
CC(C)c1cccc(C(=O)CC[C@@H]2CC2(C)C)c1	2027814749	ISSAVIMGBQYNRS-OAHLLOKOSA-N	244.378	4.819	0	10	BJAE	
CC1(CCCN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	2027838081	WNUUTNXVEQEIKB-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](c1cccc(C2CC2)c1)[C@H](C)CC	2028549470	NCWATIRAXZRBER-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
COc1ccc2c(ccn2[C@H](C)CCC(C)C)c1	2029834748	ABHSYZOWTNDUKB-CYBMUJFWSA-N	245.366	4.647	0	10	BJAE	
COc1cccc2c1ccn2[C@H](C)CCC(C)C	2029836454	KSMTVLOKUNWUBA-CYBMUJFWSA-N	245.366	4.647	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H]1CCNC12CCCCC2	2034113727	VOCZCYQRYXUSPL-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@]1(N)CC[C@H]2CC[C@H]1C2)C1CCCCC1	2035043177	HPUHJAFVXLOYRP-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)C1(CC)CCCC1	2035599915	NXBDABJKGDEOSK-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](NC1CCCCCCCCC1)c1ccoc1	2035881559	SVGXDJAKAHYJQP-CQSZACIVSA-N	249.398	4.823	0	10	BJAE	
N[C@]1(C2=CCCCCCC2)CCCC[C@@H]1C1CC1	2037074279	ISKOXZNVHZCBPF-SJORKVTESA-N	247.426	4.565	0	10	BJAE	
CCCCC[C@@](C)(N)Cc1ccc(C(C)C)cc1	2037087358	NUIRINIAZREVGL-QGZVFWFLSA-N	247.426	4.650	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(C2CC3(CCC3)C2)CC1	2037136444	ZZUKYACMQFKNOL-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@H]1C=CCCCC1	2037271470	DPBOHTYHFYTPEX-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)NCC1([C@@H]2CCC3(CCCC3)C2)CC1	2037700514	GMUHDLUHDZLIPL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)CC1CC(C)(C)C1	2037978896	FGNPGMKVRMXBSF-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](NC2CC3(CCC(C)CC3)C2)C1	2038912706	KSJPIKCBUPJRCS-YTVKCJQUSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](NC1CC2(CCC(C)(C)CC2)C1)C1CC1	2038939811	FZRVRZFHLYDAJD-HNNXBMFYSA-N	249.442	4.514	0	10	BJAE	
CCCC1(NC[C@H]2CC23CCCCC3)CCCC1	2039088398	KTDJMHQICCNJGP-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@@](N)(CCC1CCCCC1)C12CCC(CC1)C2	2039872517	NNDNBUGGNYKULJ-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](N[C@@H]1CC12CCCCC2)C1CCCCC1	2040681812	WQXJXUJZVMGBRN-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccc(CC2CC2)cc1	2040733063	NUNDDFNVVXHTBN-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC2CC3(CC3)C2)CC1	2041379763	NHLGIHKVDCTPSR-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC([C@H](N)CC2CCC=CCC2)C1	2043008011	YGVINZFFNDBHLT-UYSNPLJNSA-N	249.442	4.523	0	10	BJAE	
N[C@]1(C[C@H]2CCC=CCCC2)CCC12CCCC2	2045306739	BUDSHIWZXHPWMO-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
O=C1C[C@H]2CC[C@@H](C2)[C@@H]1C[C@@H]1CCC=CCCC1	2045311040	PYELALYQIYUAFU-UGUYLWEFSA-N	246.394	4.518	0	10	BJAE	
Cc1cc(C)c(C(=O)CCCC2(C)CC2)cc1C	2045559821	FDNLDFDFVILGAB-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@H]1CC(C)=C[C@@H](C)C1	2045690411	NLGKNXDIKOOPNV-KBRIMQKVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)c1cc(C)c(C)cc1C	2045747618	ICUVZPIOYKVLEY-SJKOYZFVSA-N	247.426	4.699	0	10	BJAE	
CCCC[C@H](NCCC)c1ccc([C@@H]2C[C@H]2C)o1	2045773019	CPCHEYHBPHYIAV-MCIONIFRSA-N	249.398	4.634	0	10	BJAE	
CCN[C@@H](CC1CCC1)C[C@H]1CC12CCCCC2	2047015256	HPLIVYUSINCABB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H]1CC12CCCCC2)C1CCC(N)CC1	2047020506	QCSZMCMCSRYQCU-JWMHWRSXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@H]1CC12CCCC2	2047021736	YSVHKYIFLAQLCD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@H]1CC12CCCC2	2047058725	LJLILIHTWABKHL-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCC1(CN[C@@H]2C[C@@H]3CCCCCC[C@H]32)CCC1	2047433756	DPQFQAGYAGXLRZ-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@@H]2CCC23CCC3)C1	2047935116	HABRWCXZZOQTAN-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CC[C@@H]2CCCN[C@@H]2C1	2048076559	FNOWOXFPGSVGDD-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(CC2(C)CC2)CCCC12CCC2	2048876683	ITEVXWDFJUISOC-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCC[C@](N)(C1CCCC1)C1[C@H]2CCCCC[C@H]12	2049215000	OTNWDIWZPUTQLF-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)C2=CCCCCCC2)C1	2049530674	YAIGFVFSGCWMOC-USXIJHARSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc2ccn(C[C@H]3CCC4(CC4)C3)c2c1	2049955358	UDWXUJRLWQPXNA-AWEZNQCLSA-N	239.362	4.530	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@@]12C=C[C@@H](CC1)C2	2049993493	XHFQUEFUCLLQKO-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@@]1(C)C=CCCC1	2050000056	JPEPMMYHDDCQKB-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCc1cccc(C(=O)[C@]2(C)C=CCCC2)c1	2050010846	WVHPJQIVPMUAKG-QGZVFWFLSA-N	242.362	4.568	0	10	BJAE	
CCN[C@H](CC=C(C)C)c1ccccc1C1CC1	2051405603	FAKAMTICNHMPBK-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2051406242	VFOORELLXJODHV-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@H]1Nc1ccc(CF)cc1	2055671933	NIKMGSPVORHWHU-WFASDCNBSA-N	249.373	4.783	0	10	BJAE	
O[C@@H](C=C1CCCCC1)[C@@H]1CCCCC12CCC2	2056862091	FLXKHTDWXIBIAE-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@H]1CC[C@H](C)C1	2056876193	OBWPIXRUAVANAN-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1(CCC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1	2059246191	ZROHSCVILLUPLA-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](C1=CC[C@H](C(C)(C)C)CC1)C1(C)CCC1	2061081184	MVNVGMHWOWPMKT-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)CC2CCCCC2)CC1	2061087507	GIPAMLXYDKDZMA-RDJZCZTQSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](C1=CCC(C)(C)CC1)C1(C)CCCCC1	2061092342	PLBOJUDIFMFLHK-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(N)C2CCC(C)CC2)CC1	2061121642	IBHDFPPLBLPFGB-CLKYRPBMSA-N	249.442	4.667	0	10	BJAE	
CCCCCC1CC(NCC[C@]23CCC[C@@H]2C3)C1	2061572459	QUDWYDPRKGDMLE-MYBQVCMBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NCC[C@@]12CCC[C@@H]1C2	2061575123	OURYVMNYXARCCF-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@@]23CCC[C@@H]2C3)CC1	2061607646	RVCJPFSIMCKJMB-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)CC1CC(=C2CCC2)C1	2061736629	JAVRSJIUXRDQKX-HNNXBMFYSA-N	249.442	4.667	0	10	BJAE	
C[C@H](C(=O)CC1C[C@H]2CCC[C@@H]2C1)C1CCCC1	2063417560	DEQYMRHGPBRVHU-APHBMKBZSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@H](N)CC2C[C@@H]3CCC[C@H]3C2)CCC1	2063496439	JRQCHXDKFPTVLP-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063534385	AGDDYTNSWYYMAJ-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](NC1CCCCCCCC1)C1CC2(CC2)C1	2064494039	NMXZBAIQSITAIR-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CCC1(CNCCC23CCC(CC2)CC3)CCC1	2065257926	GKVXUWATPBXVKX-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)C)c1ccc(C(C)C)cc1	2068816559	HZHPONSABNVXQW-YOEHRIQHSA-N	247.426	4.753	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCCCCC12CC2	2070398985	OSIBJWHOSLPWMY-HOTGVXAUSA-N	249.442	4.824	0	10	BJAE	
CCCN[C@H](CC[C@]1(C)C[C@@H]1C)c1ccccc1	2070967036	LWALISVRDOXHDE-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@@]23CCC[C@@H]2C3)CC1	2070968030	RMWMPHDKXLFSKG-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@H]2C2CCC2)cc1	2071785830	KBYWPTYIGALVRU-DLBZAZTESA-N	243.394	4.630	0	10	BJAE	
CC(C)Cc1cccc(C(=O)CC[C@H]2C[C@@H]2C)c1	2072097162	YEVDVMIIDOLZOA-ZFWWWQNUSA-N	244.378	4.504	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)c2cc(C)oc2C)CC1	2072701185	VUMWCFVFNMUMHL-IIAWOOMASA-N	249.398	4.503	0	10	BJAE	
CCC[C@@H]1CCCN([C@@H](C)c2ccccc2)CC1	2074791756	XLGRMKLTLQMYQO-JKSUJKDBSA-N	245.410	4.650	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2CCC3(CCC3)C2)c1	2077264684	YKWGUEVTBVFROM-AWEZNQCLSA-N	241.378	4.699	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1cccc(C2CCC2)c1	2079639287	HTFKITFNRDGAKM-HOCLYGCPSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@@H](CC=C1CCC1)c1cccc(C)c1	2080245935	ZCVPMWAZNKCPQW-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CCC[C@@H]1CCCC[C@@H]12	2081117568	FJXOBDAHEHCKFF-QAETUUGQSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(OC)c2occ(C[C@@H](C)CC)c2c1	2086605729	LOTOWMVLFMRLPC-NSHDSACASA-N	246.350	4.592	0	10	BJAE	
CCc1cc(Cl)ccc1NCCCC(C)C	2212631522	PZGXZDJQXVKQRG-UHFFFAOYSA-N	239.790	4.751	0	10	BJAE	
CC(C)[C@](O)(CCCCCCC1CC1)C1CC1	2213579612	UKXFTNSRTFDFHI-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1C[C@H]1[C@@H](N)CCCCCCC1CC1	2213581856	BCTFYLRVHNPUJU-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
C(=Cc1ccccc1)CC[C@@H]1C[C@H]2CC[C@H]1C2	2213825221	QNNQZLRTKXNSEA-ZACQAIPSSA-N	226.363	4.916	0	10	BJAE	
CC[C@H]1C[C@H]1CCC1(N)CCC(C)(CC)CC1	2215250933	NXIVUJPJOHFVGL-QRNKSROTSA-N	237.431	4.501	0	10	BJAE	
CC1(CNc2ccc(Cl)cc2)CC2(CCC2)C1	2215393958	OTIQVDUHRMEXCV-UHFFFAOYSA-N	249.785	4.722	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(O)CCC[C@@H](C(C)(C)C)C1	2216256831	JIXRCZMDVNHASE-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)C[C@@H](CN[C@@H](C)CC)C(C)(C)C	2217124647	JGFIQMMBZBIPDP-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@H](CC1CCCC1)C(C)(C)C	2217125090	MMMLTPADMRUKDV-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1(C)CCC(C(C)(C)C)CC1	2217139926	UQFWAULUUYUISP-HLIUYOAVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)C[C@@H](C)C(C)(C)C	2217150660	NRJUHUGWHSCQBC-YCPHGPKFSA-N	241.463	4.863	0	10	BJAE	
NC1(CCCCCCC2CC2)CC(C2CCC2)C1	2218720181	GKAZPICFFJJZGL-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1[C@H]2CCCC[C@H]21	2218724044	FHONAKCDGBOBHX-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
C1=CCC[C@@H](CNCCCCCC2CC2)CCC1	2218753807	HTXZMPOPSGETMQ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@@H]1CC[C@@H]1C	2220525502	GNQJAKCNEXVOMY-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2(C)CC3(CCC3)C2)C1	2221002198	KBFXXZOQMPQAOT-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@@H]1CCC(C)(C)C1)N2	2224118608	ADYPQPUNYYWEGO-GDBMZVCRSA-N	243.394	4.548	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)c1ccc2occc2c1	2224197240	BIYALJBLDDJLCN-NSHDSACASA-N	244.334	4.688	0	10	BJAE	
CCCCCC[C@H](CC1(C)CC(C)C1)NCC	2246454663	QJLXXAUFUFJTJL-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
CCCCCCN(C)CC[C@@H]1CCC[C@H](C)C1	2246671433	XRCJXTGPLQXQRX-HOTGVXAUSA-N	239.447	4.715	0	10	BJAE	
O=C1CCCCC[C@H]1c1cc2ccccc2s1	2246908373	OSEFJRXUNWMOHJ-GFCCVEGCSA-N	244.359	4.518	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@H]1CCC1(C)C	2247310392	ZILVIKPTPATEJR-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@@H]1CCC1(C)C	2247315645	VMDUGDMOIGPPTA-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C(=O)CC1=CCCCC1)C1CCCCC1	2247500678	IGLZMUMUIJQARA-ZDUSSCGKSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)CCCC1CC1	2248845838	QZWNKHVNERQQAZ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CCCCC[C@H]1C[C@@H]1C	2250371473	LLEQVKBFPJZEHL-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
C/C=C/CCC[C@H](N)C1CC(CC(C)(C)C)C1	2251540147	YMVDHXOJNURTOV-BFXNBRJNSA-N	237.431	4.523	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H]1CC(C)(C)CCC1(C)C	2251682693	XTAVZGQDJQFORZ-UONOGXRCSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1ccc2ccsc2c1	2253058714	DLCVMKRYSGQEAJ-DZGCQCFKSA-N	247.407	4.583	0	10	BJAE	
C[C@@H](CC(=O)CC[C@@H]1CCCCC12CC2)C1CC1	2253798103	WWJWTUSTCMGCPC-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC1(CCC[C@@H](N)C[C@@H]2CCCCC23CC3)CC1	2253805208	FWFDEQWQYKHDCB-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@H](CC[C@H]2CCCCC23CC3)CN1	2253885567	CTXZNIIBLYTVGZ-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@H]1CCCC12CC2	2255246402	MRSDLRABQMFHNJ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(OCC2CC3(CC(C)C3)C2)c1C	2259557546	ZXNQVPKWCFPNGA-UHFFFAOYSA-N	244.378	4.509	0	10	BJAE	
C[C@](N)(C[C@]12CCCC[C@H]1CC2)C1CCCCC1	2260681824	DURSRXRYGXSVOY-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CCCC(C)(C)C1	2300682226	WXUSVBFWMDSOML-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C(CNc2cc(C3CC3)ccc2Cl)[C@H]1C	2300694349	FGLGULIKGXTIQG-UWVGGRQHSA-N	249.785	4.531	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](O)CC1CCCCCC1	2301135436	KIHUTTYGVKEGFO-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C(=O)CCCC2=CCCCC2)CC=CC1	2302358441	GWQLIPUEPSMPAY-UHFFFAOYSA-N	232.367	4.583	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@H]2CCC(C)(C)C2)C1	2302760670	KQRQWEVMDXOQOK-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@@H]1CC[C@@H]1C(C)(C)C	2303475661	NBZGIJLCSVHHHT-HEHGZKQESA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)CC[C@@H]1CCC(C)(C)C1	2304399687	OXMOQXRBDOKEGS-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H]1c1nc([C@H]2CC23CCC3)cs1	2304488376	ZZFDZDRVSDEQEH-GRYCIOLGSA-N	247.407	4.704	0	10	BJAE	
CCC[C@@H](CC)CC1(CO)CCC(C)(C)CC1	2307879754	SQHDSDVTHCOVIQ-CQSZACIVSA-N	240.431	4.782	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)C(C)(C)C1CC1	2307905069	VOZBLYZVIDMRSB-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CC[C@@]12CCC[C@@H]1C2	2310386847	ITMTWSJZKVTYOM-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@@H]1C[C@H]1C(C)(C)C	2311512471	AEWQSNDZHJXEIJ-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)CC[C@H]2CCCC[C@H]2C1	2311614850	IGHIRTYZKCQKAR-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC=Cc1ccccc1	2315949098	DKDINCOCXIFAFI-KRWDZBQOSA-N	245.410	4.634	0	10	BJAE	
CCN[C@@H](CCC=C(C)CC)c1ccc(C)cc1	2316538340	WGZOLRWDJATXNZ-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1C[C@@H]2CCC[C@H]2C1	2316883965	FDGGTASDLSLSMT-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1C[C@H]2C[C@H]1CC21CC1	2317041467	ZVQXPXOZEMIBFB-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@H](N)CC(C)(C)Cc1ccccc1	2317251732	MPEFMDHQUBCYKX-MRXNPFEDSA-N	247.426	4.553	0	10	BJAE	
CC(C)c1ccccc1CN[C@H](C)[C@H](C)C(C)C	2317657459	COZUCLWWNOMCNC-HUUCEWRRSA-N	247.426	4.580	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)CCC2=CCCCC2)CC1	2317905737	YIIYBBNCMOSGOE-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
O=C(CCC1=CCCCC1)CC[C@@H]1C[C@H]1C1CC1	2317938463	JDLLWZHLDIEKCL-WBVHZDCISA-N	246.394	4.662	0	10	BJAE	
CCCCc1ccc(N[C@H]2CC(C)(C)[C@@H]2C)cc1	2318176294	OBANKGFZEPAHBD-CJNGLKHVSA-N	245.410	4.876	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CC(C)(C)[C@@H]1C	2318270021	JOOSZXRZTWFGHB-DOMZBBRYSA-N	244.378	4.675	0	10	BJAE	
CCCCCCc1cccc([C@H](CC)NCC)c1	2318365252	VDXVYSHPYVQYSG-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
N[C@H](CCC[C@H]1CC[C@H]1C1CC1)CC1CCCC1	2319736746	HKUCWQMFCOTDDU-USXIJHARSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@H]1CC[C@@H]1C(C)(C)C	2320100166	AFEKNKJNEOICPZ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CCCN1C[C@@H]1CCC(C)=C(C)C1	2320387217	FDIKIYKFSPKSFN-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)c2c(C)coc2C)CC1	2320413091	MHAXGBVRGSMQEW-CQSZACIVSA-N	246.350	4.606	0	10	BJAE	
CC[C@@H](N[C@H](CC1CC1)C1CC1)C1CCCCC1	2320520593	JDERLTRRBTUODT-IAGOWNOFSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@](C)(N)CC(C)(C)C)c1	2327658952	BWDYVFBSVJNZGC-KRWDZBQOSA-N	247.426	4.729	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1cc(C)ccc1C(C)C	2327675610	NVELBNFDBGOCMY-YOEHRIQHSA-N	247.426	4.800	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1cc(C)c(C)cc1C	2328212083	DMOMEVLZKZTXSW-DOTOQJQBSA-N	248.410	4.862	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@H]1NC1CCCCC1	20546141	HJQOBIXGEVVBTG-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C)c([C@H](C)NC2CCCCCC2)c1	21509199	VMORHULCQSHLEH-HNNXBMFYSA-N	245.410	4.677	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1Cl)C1(C)CC1	36984256	IWPFQCOIBOUYET-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)C1CCCCC1	37212659	MCJWSCGTFNNGKJ-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)C1CCCCC1	37535734	SFBRMGGKIKWXRJ-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CC(=O)c1cc(Cl)cc(C2CCCCC2)c1	75841262	LQQPXFAMKLHUGP-UHFFFAOYSA-N	236.742	4.590	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCCC(C)(C)C2)c1	79971117	LMRQWDPCYDHVLK-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
CCc1cccc(N[C@@H]2CCCC(C)(C)C2)c1	79971188	YJMAVLHIPWIUIR-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
Cc1cc(Cl)cc2c(Cl)cc(Cl)nc12	82788818	HSYOLRROGUQEOH-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CCC)CCCCCN1	85876262	XLWJQTVWIIWLPR-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CCCC1CCC([C@H](CCC(C)C)NC)CC1	87963240	MPICBIJQLFSBBZ-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cc(C)cc(F)c2)cc1	91509640	LRCYGXPDWHMPPB-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCN[C@H](C(C)C)[C@H]1CCC[C@H](CC)CC1	92599938	NWVASWGLPKCJKW-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](O)c1ccc(Cl)c2ccccc12	93656946	PCPMOSSGTIFAGF-OAHLLOKOSA-N	248.753	4.573	0	10	BJAE	
CCC1CCC([C@@]2(N)CCCCC2(C)C)CC1	94279579	CTHHYYHOYKKCNF-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCCC2(C)C)c(C)c1	94307384	ZOABZEDUPYBZQR-GOEBONIOSA-N	245.410	4.533	0	10	BJAE	
Cc1cc(OC(C)C)ccc1N[C@@H](C)CC(C)C	109912326	UDBPKKRPCUNKKK-AWEZNQCLSA-N	249.398	4.629	0	10	BJAE	
CCC[C@H](N[C@H]1CCC(C)(C)C1)c1ccccc1	124983239	KMIRWVFCTPSQCP-HOTGVXAUSA-N	245.410	4.696	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)CCC1CCCCC1	126009570	WZZBLDQRZQPQMZ-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCc1cccc([C@@H](NCC)[C@@H](C)C(C)C)c1	131700398	WHYRXENVLDAODN-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H](C)c1cc(C)cc(C)c1	132618267	RIIQTJSSKBHJSC-RHSMWYFYSA-N	245.410	4.533	0	10	BJAE	
CCC1CCC([C@H](CC(CC)CC)NC)CC1	148402341	VGJKQQMQMHRBQG-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@@H](N)CC2CCCCCC2)cc1C	161912917	AAKQCEHSXASFTO-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
CC1(C)C(=O)[C@@H]2CCCCCCCCCC[C@H]21	162334495	CDUINYALFUACRR-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc2[nH]cc([C@@H]3CCC[C@@H](C)C3)c2c1	200603396	HKZKESCATUTGQE-DGCLKSJQSA-N	227.351	4.770	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC[C@@H]2C(C)C)ccc1F	214596791	KAQIKDFXEDARMR-GDBMZVCRSA-N	249.373	4.761	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C)CC2CCC2)cc1	229669111	FEHXQHGFAQMJDS-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
CCCC1(CN[C@H](C)c2cc(C)cc(C)c2)CC1	233038296	STTVNNJLORAMMS-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1Nc1cccc(Cl)c1	235320895	WRFYMPBCIHEDJH-ZWNOBZJWSA-N	237.774	4.577	0	10	BJAE	
CCC(CC)C[C@]1(O)C[C@H](C)CC[C@H]1C(C)C	250739804	NQMBKEHKDXJISP-VNQPRFMTSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)c1ccc(C(C)C)cc1	302272592	DEVOVMPVFKLYRN-YOEHRIQHSA-N	247.426	4.882	0	10	BJAE	
CCCNC/C(=C\C1CCCCCCC1)CC	302278070	IPRVPDVUQDZCTH-SQFISAMPSA-N	237.431	4.683	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1cccc(C)c1C	308054073	KFGJJJIQCQCPBD-AWEZNQCLSA-N	232.367	4.558	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCC)C1(CC)CC1	310176342	MKMNWUFKVXWSAT-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CCC[C@H](C)C1CCCCC1)NC	310396554	HSQUFXZYMPSBQQ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2	314533539	ALGLDOIQRVPJLU-JUFZMCDQSA-N	249.785	4.577	0	10	BJAE	
CCCCC[C@H](NCCC)c1sccc1F	381046239	HBUOPBHITCFMNO-LBPRGKRZSA-N	243.391	4.508	0	10	BJAE	
CC[C@H](CCCCCC(C)C)CNCC(C)C	383213929	CQZGWTKGIDIKJU-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCNC[C@@H](CCCCCC(C)C)C(C)(C)C	383281280	PCVQWUQNPAHRRJ-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2(C)CCCC2)CC1	383694889	UOFODZTVUGRMRT-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2CCCC23CCCC3)CC1	385689246	DMFPJTGDGAPSIS-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCCC12CCCC2	385830050	QIGSINVQGISQJS-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CC[C@@H](N[C@H](C)CCC(C)(C)C)c1ccco1	386322710	YOLZCEGOZMZRAK-CHWSQXEVSA-N	237.387	4.535	0	10	BJAE	
CC[C@H](C)Oc1cccc(NC[C@@H](C)C(C)C)c1	386781101	JTPDXDAPSVAZTH-KGLIPLIRSA-N	249.398	4.568	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1CCCC1(C)C	389000574	QOZHJDKPRJAGGX-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](Nc1ccccc1SC)C1CCCC1	395676939	KGGYOWWLDLZZJL-CYBMUJFWSA-N	249.423	4.789	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)CCCC1CCC1	688423453	SMSMHBGMXQHWMH-SJORKVTESA-N	246.394	4.512	0	10	BJAE	
CCC[C@H](Nc1cccc(C2CC2)c1)C1CC1	690161187	VPUWHRYUEQQQFU-INIZCTEOSA-N	229.367	4.555	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1cc(F)ccc1C	691142220	VFAKJBZFEDOUTL-ZFWWWQNUSA-N	249.373	4.905	0	10	BJAE	
CCCNCC/C=C(\C)C[C@H]1CC2CCC1CC2	691700876	LCPGQZOOBOZGIR-DYAXVRLASA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)C(C)(C)C(C)(C)C	696551160	PPTKDYTZDGLVLP-ZDUSSCGKSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@H](N)CCC1CCCCC1	696560930	LPVOCXMUNSGZSG-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CC(C)c1ccc(NC2C[C@H]3CC[C@H](C2)C3)cc1	697723439	GOVUEUKYQBXFMD-KBPBESRZSA-N	243.394	4.801	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(C(C)(C)CC)CC1	700914868	SRAYEGUTWHWIRV-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](C[C@]1(N)CC2CCC1CC2)C1CCCCC1	704886667	PJEGAGSHUZJNES-DXCHVLGVSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](C)(N)CC1CCCCC1	704893091	YNOPDSMHITVLKQ-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(N)CC2CCCC2)C1	704913950	MIDXZXCFVYUDIT-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCC[C@H]1C)CC(C)(C)C	704993298	FDMSQZPWMIRAPJ-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)[C@@]23CCCC[C@H]2C3)c1	709122876	DXTNSVYAUBUKIG-WWGRRREGSA-N	247.357	4.515	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C1CCCCCC1	713044611	RAMSHOZPOGCXCF-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C(C(C)C)C(C)C	713174376	LAEXCVFMIGMJBS-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CN[C@@H](CC(C)(C)C(C)C)c1cc(C)ccc1C	713239426	IWXBNSBOOIBJFE-INIZCTEOSA-N	247.426	4.636	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@H](C)CC(C)(C)C	713304689	PMBIUMDLKBDJGA-GFCCVEGCSA-N	226.404	4.700	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714423397	KOIAWGQRZJKQDV-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C(=O)c2ccc(C3CC3)s2)CC1	716563721	OPRVHMSJZOAMNZ-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCCNCC1([C@H](C)CCC)CCC=CCC1	718132562	CGHZFMCCLWQPSJ-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CCCC(C)(F)F)C[C@H](C)CC	718686196	MYRAZCAJPCOUMY-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCCCC(C)(C)CNCCCCC1CC1	720171134	JBGWNUFPVXRFIF-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)SC[C@H]1CCCC[C@H]1C	1652640498	DGSJYVPZPRZGBG-VXGBXAGGSA-N	214.418	4.735	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](CCC)[C@H]1CC1(C)C	1658815592	JFPQIBDNFWEBSY-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)N(Cc1ccccc1)C1CCCC1	1880409987	WSRTYLYELZHKCY-OAHLLOKOSA-N	245.410	4.620	0	10	BJAE	
CCC(CC)CCC1(CO)CCCCCC1	1900703138	QYECVJSCTSKDJT-UHFFFAOYSA-N	226.404	4.536	0	10	BJAE	
CCC[C@H](CC)CC(=O)CCC[C@H]1C[C@@H]1C	1905391573	QHDRMJIAFGJJEW-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCC1(C[C@@H]2CCCC(C)(C)[C@H]2O)CCC1	1910199585	NTSNIAOCJYWHIA-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](O)C1(C)CCCCCC1	1910697324	XHKFPKIYGMIKCB-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)C1CCC(C)CC1	1919958449	IDRGYQDIVSNTKL-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H](C)CCC	1920201207	GITOTAWHBVUPIM-ZIAGYGMSSA-N	213.409	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@H]1CCCC12CCC2	1921586085	LFEMTKQMOTWXMY-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CCCC23CCC3)C1	1921610980	QPFZRXOGGGBRII-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C(=O)CCC[C@@H]1CC1(C)C)C1CCCC1	1924131131	RUWMGBXFJHDVRE-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
C1=C[C@@H](CNCCCC2CCCCC2)CCCC1	1925902196	OPQWYBHZNKKMPT-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC(CC)C[C@H](N)CCCCCC1CC1	1926372780	VNNQJYLQIAIECV-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](C(=O)CC1(C)CCCCC1)C(C)(C)C	1935605176	YUYKVQHIOBEHRH-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@H](CC)C(C)C	1936194698	FHJOHKSYHLYNDI-RRFJBIMHSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)c1csc(C)c1	1937275748	BBXBRJQYRHSTFL-AAEUAGOBSA-N	239.428	4.533	0	10	BJAE	
CCN[C@@H](CCCC1(C)CCCCC1)C(C)C	1940405669	CWRBVSBTPIYMNO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@H](CO)C2CCCCC2)CCCCC1	1940406915	ODUDSGRWMAWCJD-OAHLLOKOSA-N	238.415	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCC[C@@H]2CC2(C)C)C1	1940881977	OBUFJCKKWRBZOP-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C(=O)c1cccc(C(C)C)c1)C(C)C	1941265499	VLFGVOUNFAFTFJ-OAHLLOKOSA-N	232.367	4.675	0	10	BJAE	
CC(C)CC[C@H](C)C(C)(C)CCNCC(C)C	1942662867	OKDPJKKATCMGCR-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@@H](C)C(C)(C)C)C1	1944205978	WFCMGBCPEBFXGG-RQJABVFESA-N	238.415	4.700	0	10	BJAE	
CC(C)CCCCC[C@]1(CN)CCCC1(C)C	1944476607	ZCVRUWODRGRQSU-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)C(C)(C)C1CCCC1	1944635175	OKUNRPVJDTVAGZ-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H]1Cn1ccc2c(Cl)cccc21	1944799315	MPKAUZFFFCBALT-NEPJUHHUSA-N	247.769	4.731	0	10	BJAE	
O[C@H](CC1CCCC1)c1cccc2sccc12	1945962084	RNVFBQCRWVEKAM-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)c1cccc2sccc12	1945969912	JACRHDDUNNPPRK-HNNXBMFYSA-N	244.359	4.520	0	10	BJAE	
CCC1(NCC(C)(C)C2CCCC2)CCCC1	1946169965	GTWZTAZBZJMDJT-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C2CC(C)(C)C2)CC1	1948155296	KNCWDNSXLHTZDN-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@H](CC)CC(F)F	1948851194	YIGXUIDVRITWFU-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C(CC)(CC)CC)C1	1948929524	JUJIDXLCZNUNIE-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C(C)(C)C2CCCCC2)C1	1949493540	OFCJSHILKAGYOU-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
Cc1cc(Cl)cc2c3c([nH]c12)C[C@H]1CCC[C@H]31	1950249768	QDRGWFVZTJELHG-KOLCDFICSA-N	245.753	4.570	0	10	BJAE	
NCC[C@@H]1CCC[C@H](CCC2CCCCC2)C1	1950493122	FGLHALPFPGXLGB-CVEARBPZSA-N	237.431	4.502	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H]3CCCC[C@H]32)c1F	1965896909	WJVYEBOOUNXWPI-MGPQQGTHSA-N	247.357	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@@H]2CCCC[C@@H]21	1967700405	XSNQKCGECFBQSC-LUKYLMHMSA-N	249.442	4.680	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H]2CC(C)C)c1C	1968249615	DMTVDYOBQLQUAA-GDBMZVCRSA-N	231.383	4.540	0	10	BJAE	
CCC(CC)N[C@@H]1CCCC2(CCCCC2)C1	1968318650	LQCQGBDWCPYCPG-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@@H](C)C1	1968597651	NYVCZTGNDROAHC-IUODEOHRSA-N	231.383	4.719	0	10	BJAE	
C[C@@H](CN[C@@H]1CCCC2(CCCCC2)C1)C1CC1	1969013361	HWRVSZXPOHTNRH-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NC[C@@H]1CCCC12CC2)C1CCCCC1	1973088212	XDQSSCBTAUZAIR-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)c1sccc1C	1973168744	FTCQCARXLIWZGA-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CNC1(C2CC2)CCCCC1	1973782594	YKIZUZMFWXMKHH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)NC1(C)CCCCCC1	1975471792	WFZGZBDXFQFQLV-AWEZNQCLSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(NC2CCCCCCCC2)cs1	1980335455	AFTHBSGNMRSGAE-UHFFFAOYSA-N	237.412	4.971	0	10	BJAE	
CC1(C(=O)c2cccs2)CCCCCCC1	1981428936	XXRFJKRGMFNIPU-UHFFFAOYSA-N	236.380	4.681	0	10	BJAE	
F[C@H]1CCCC[C@@H]1CC1CC(=C2CCC2)C1	1985530729	LTSCYBXNZQIOAP-HIFRSBDPSA-N	222.347	4.795	0	10	BJAE	
CC(C)CCCCCC(=O)CC[C@@H]1C[C@@H]1C	1989510672	RFOMFEBTHPXMGE-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1CC[C@H](C)CC1	1989771345	ZRAQWQHUQMVSTK-HDJSIYSDSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H](C)C1CCC1	1990094032	RAMQNICEFUCTDL-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCC)C(C)(C)C	1995261983	JNLDMQBRQSGBIA-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@@H]1CC[C@H](C)C1	1996259950	LIANBEOOFYGRLI-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H](N[C@@H](C)C(C)(C)C)C1CCC(C)(C)CC1	1996553373	PDHOEXAVHJFPQE-STQMWFEESA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](C)[C@]1(N)CCCC2(CCCCC2)C1	1996647807	RHWHRRPMIQAHQX-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
C[C@H](C[C@]1(N)CCCC2(CCC2)C1)C(C)(C)C	1997044137	WRZBMPVBXMQOHA-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)CC1=CCCCC1	1998381384	WCGOTALOYBURTJ-GOEBONIOSA-N	237.431	4.824	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@H]1CCC=CCCC1	1999998647	LACLVCMJUUNVMC-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CCCC1CCC1	2000315189	JUONTGORAGOKGP-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCC1CCC1)C(CC)(CC)CC	2000376443	MZJXBPWUVJJFER-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CN)C1CCC(C(C)(C)C)CC1	2000494689	GRYNVGYDPIEEMP-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](C)[C@@H]1NCC	2002889506	VJCNFMJGLDOYAL-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CCC(Nc2cccc(F)c2)CC1	2004340645	BXUOXOPCFKNYDT-UHFFFAOYSA-N	235.346	4.597	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CCCCC12CC2	2005609619	JVTHSBDXHKALCJ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(C)([C@@H](O)C2CCCCCC2)CC1	2007696768	NAHGRARUPYSOMJ-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](O)[C@@H](CCCC2CCC2)CC1	2009420239	NWPMXFVOCVBUEW-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H]1NCC[C@@]1(C)CC1CCCCC1	2009766834	BPZLMVXWHNEMMB-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H]2CCCCC2=O)CC1	2010784841	QZIYXLYZSXMDTN-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC(=O)CC(C)(C)C1	2012083010	GAVNOCDSURELQV-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@](C)(O)C1CC2(C1)CC(C)(C)C2	2012117026	XVWQPDAXJAOKHF-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC12CCC(CC1)C2	2012806993	ZABUOZLWOYRMKR-VEAWUBTESA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(O)C1(C)CCCC1	2014324289	NYHIFOOIFYCGQW-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCCC1(CN[C@@H](C)C2(C)CCCC2)CCC1	2014335833	YMRXZRRZSMTPNY-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C[C@H](C)C(C)C)CC1	2015285202	UOEWITIFBZETBD-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(CC[C@@H]1CCCC(=O)[C@@H]1C)C(C)C	2015391431	ZYZTXXQPJRCNHU-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CCCC1(CC(=O)[C@@H](C)CC(C)(C)C)CCC1	2015584062	BYISQADQOFLTFK-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
Cc1cc(NC[C@]23CCC[C@H]2C3)cc(C)c1Cl	2016322840	CUZGLKUYQOHYHD-SWLSCSKDSA-N	249.785	4.559	0	10	BJAE	
CC(C)(C)C1(C[C@](C)(O)C2CCCC2)CCC1	2017114093	IHYIUHKVNZNUGY-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C(C)=C(C)C	2017484958	BUEVFSOTGONRBU-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](C)[C@H](CC)C[C@H]1CC[C@H](CC)CC1	2017731235	PCIVFCVNCDHIPN-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1CC(C2CC2)C1	2018130940	LXFUZGYPMUARDX-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@](N)(CC)CC(C)(C)CC(F)F	2018133823	IJXFKFPQLFZTCN-AWEZNQCLSA-N	249.389	4.746	0	10	BJAE	
CCCCC[C@](O)(CC)CCC[C@@H]1CC1(C)C	2018136441	LDUNEPJOKSTXFW-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@]12CCCC[C@H]1C2	2018138358	GDKMUVXAAGFPOQ-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](CC)NC1CCC(CC)CC1	2018139711	URUYGBMLFDXIJX-HWOWSKLDSA-N	239.447	4.904	0	10	BJAE	
CCC1(C[C@@](C)(O)C2CCC(C)(C)CC2)CC1	2018968882	YXDSGUFSBPFTFA-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H]2CCNc3ccccc32)CC1	2018996942	HUOCRBJBOVRDPO-ZDUSSCGKSA-N	229.367	4.556	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)C1CCCCCCCC1	2019383773	FJPFSFHTYLLEKV-LSDHHAIUSA-N	239.447	4.856	0	10	BJAE	
C[C@H](CN(C)[C@@H]1CCCC1(C)C)CC(C)(C)C	2021079375	KAOBBZKXRBCUTD-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](C)C(=O)[C@H]1C[C@H]1C1CCCCCC1	2022418306	VLCARMWFYREBGW-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@H]1C[C@@H]1C(C)(C)C	2022448041	KPAHEPZIFMKIHQ-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC(F)(F)CCCC[C@]1(O)CCCC(C)(C)C1	2023310342	FPFIVBUOXPSDHP-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@]2(C)C=CCC2)C1	2024091187	GCHZLSDXOPPIPL-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](CC)CCC[C@H]1CCCC(C)(C)C1	2024091873	MDLYHSSSLLDPEZ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(O)C[C@@H]1CCCC(C)(C)C1	2024129742	XPPGHJCWEUTFEV-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)CCC2(C)CC2)cc1	2027725957	MRICAAKHHOUTAV-XJKSGUPXSA-N	246.394	4.814	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CC[C@@H]1CC1(C)C	2027811374	BHURBLLYDAZYGE-CJNGLKHVSA-N	245.410	4.636	0	10	BJAE	
CC1(CC(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)CCCCC1	2028967107	HJLCWTCZUYKEQX-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](c1ccc(C)cc1C)[C@H](C)CCC(C)C	2029824941	OGGWMFRZDKZSDI-RHSMWYFYSA-N	247.426	4.636	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@]1(C)C=CCCC1	2030355295	WYEVXNGKXYKMTP-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@H](N)[C@]12CCCC[C@H]1CCC2)C1CCC1	2031757743	IKFSIJFJMGDNAH-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCCC1)CC(C1CC1)C1CC1	2032156865	BLARMWDKMHMHER-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCNC1C[C@H]2CCCCC[C@@H]2C1	2035863717	VNLSKWBGYPVZMM-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1(N)CCC2(CCCC2)CC1)C1CCC1	2037158519	ZTVNDZSBHUUSLV-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C[C@@H](C)c1ccccc1	2037169949	ZFMDRPMXOAFOKA-NVXWUHKLSA-N	245.410	4.644	0	10	BJAE	
C[C@@H]1CC([C@H](N)CC2CCC=CCC2)C[C@@H](C)C1	2037205692	WURBDQDHQOMISU-GRDNDAEWSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC1(C)C)c1ccccc1	2038139884	YXQJAJUUTIEVRZ-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@@H]1CCC12CCCCC2	2043682485	HJJAKTDQAYBKHN-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(C(=O)CC(C)(C)C(C)C)cc1C	2045558101	ZUXNUSNHUYFVQC-UHFFFAOYSA-N	246.394	4.867	0	10	BJAE	
CC(C)C1(CNC2CC3(CCCCCC3)C2)CC1	2046229711	GSXOQJRESJKCHH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2CC23CCCC3)CC1	2047016236	NMXZIEUHDUGNJO-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@]1(C[C@H]2CC23CCCCC3)CCCN1	2047016402	OPQILSQQYXSXED-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1CC12CCCC2	2047056984	XLEJNPHDPFWVDN-AWEZNQCLSA-N	244.378	4.769	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C[C@@H]1CC12CCCC2	2047061712	HWVOQZDLAXKMDX-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(N[C@H]2[C@H]3CCCC[C@H]32)CCCC1	2048391338	AFIFMFLZPRCZNJ-BJWYYQGGSA-N	249.442	4.658	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@H]1[C@H]2CCCCC[C@H]21	2048445625	STRBRDCXUHMPDK-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@H]1[C@H]2CCCCC[C@H]21	2048447392	VKSNPRSFRBEEBJ-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(C2[C@@H]3CCCCC[C@@H]23)CC1	2049211829	NLMFNKXNYVHHFT-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CCCC(C)(C)C1	2049490257	NGCZASVDXIQDJA-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(N[C@@H]2CCC23CCCC3)CCC1	2049676503	USHCDPFAUXYBGD-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CN[C@H](CC1CCC(C)(C)CC1)[C@]1(C)C=CCC1	2050007766	FVWUZZBHDIRRAF-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)CC[C@@H](NCC)c1cccc(C)c1	2050456532	RNDGQBCOQJGDCM-RHSMWYFYSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCC[C@@H]1C)c1ccco1	2050525618	PWNDRWAYLLUSAS-SOUVJXGZSA-N	249.398	4.537	0	10	BJAE	
CCC1(C)CCC(N)(CC[C@H]2C[C@@H]2C2CC2)CC1	2051613057	NYCJEGCPWZIPSL-NJINODPHSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@]1(CC2CC=CC2)CCCCC1(C)C	2053385898	CYSUAWFHUZULTG-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CCCCCC2(C)C)CCC1	2055548084	YCUUFYDNSIPIES-CVEARBPZSA-N	249.442	4.824	0	10	BJAE	
CC=CCCC[C@@H](NCCC)c1ccc(CC)o1	2059258681	IUDLIBDMDCZWBK-OAHLLOKOSA-N	249.398	4.629	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CCCC1(C)C	2060923580	YXMKFGFRGXRQBU-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1CCC1)CC[C@]12CCC[C@@H]1C2	2061571721	MISGSDMISAHXKT-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
N[C@H]1CCCCCC[C@@H]1CC1CC(=C2CCC2)C1	2061738633	FHAMQGRLXHRGRE-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CCCC1CCC1)C12CCCC1CCC2	2063831644	XPEGHLRHTJDKBR-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)CN[C@@H](CC)c1ccc(CC)cc1	2066311783	BCNOTMJQBUOLQQ-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCC1	2068704145	OZTLHXQWRLKMAA-QKDCVEJESA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1=CCCCC1)C1(CC2CC2)CCC1	2069506763	HHHZUHIDDMSMQF-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CC(C)CC1([C@H](N)[C@H]2CCC3(CCCC3)C2)CC1	2069515927	TYTRIYUIEOKRKV-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1(CC2CCC2)CC1	2069565899	DYRBZLQHODNLHG-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1=CCCCCC1)C1(C(C)(C)C)CCC1	2071927973	GKYFONFYUCEJRE-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1C[C@@H]2CCCC[C@H]21	2072423687	HZKZEWMRFSVNNC-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(CC2(N)CC(C3CC3)C2)CC1	2072806485	MIMLUPIMDKVORS-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCC(CN)CC2)CC1	2072822893	YOTMHTRJRLTXQK-SWHGDLNTSA-N	249.442	4.668	0	10	BJAE	
N[C@H](CC[C@]12CCCC[C@H]1C2)CC1CCCCC1	2074027408	AOPWURKUQOBPBO-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(N(C)[C@H](C)c2ccccc2)CC1	2074791694	WUBKOUJFWXQUPB-HPUBIQBYSA-N	245.410	4.648	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@H]1CCC[C@@H](C)CC1	2074794519	KSDBZNSCCKCQIB-VYDXJSESSA-N	245.410	4.648	0	10	BJAE	
CC(C)NC[C@]1([C@H]2C=CCCCC2)CCC[C@H]1C	2075363779	SUHPHVYTFBBLDO-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2C[C@@H]2C2CCCCC2)CCC1	2079709204	DTZWMRJHILLPCB-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
Cc1cn(C[C@@H]2C[C@H]2C2CCCCCC2)cc1C	2079815824	UWARADNWIBKJCC-IRXDYDNUSA-N	245.410	4.711	0	10	BJAE	
CCC[C@@H]1C[C@@H]1Cn1ccc2cccc(CC)c21	2079821759	WJAGFDHLQYTCFC-HZPDHXFCSA-N	241.378	4.640	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CC[C@H](C)C[C@H]1C	2081947410	SBUWAGGSUBLDSX-YWPYICTPSA-N	249.373	4.625	0	10	BJAE	
CC(C)Cc1ccc(CC2=CCCC2)cc1	2210479897	KWZYPUVPNHUPAK-UHFFFAOYSA-N	214.352	4.538	0	10	BJAE	
CCCC(O)(CCC)CC1(C)CC(C)(C)C1	2211618258	VZKOYHRMPFJCKE-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1sc(C)c(C)c1C	2211699102	GMNNDAARLRCRSP-ZANVPECISA-N	240.412	4.533	0	10	BJAE	
CCCCCC[C@@H](O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2213288349	UTKUKUDLUHNBGH-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCC1=CCC[C@@]1(O)CCCCCCC1CC1	2213576706	TXECSQZVUWGZDN-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H]1C[C@H]1C(=O)CCCCCCC1CC1	2213578405	LWCSBDDBJVXVBC-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
Fc1ccc(OCCCCCCC2CC2)cc1	2213578717	OWSVNVONOJKXTD-UHFFFAOYSA-N	236.330	4.565	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@H]1CC[C@@H]1C	2214953086	XZVHBSGBKUYUQE-QWHCGFSZSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H](C[C@H](N)CC[C@H]1C[C@H]1CC)C(C)(C)C	2215258553	VICLSCFOQWNAIL-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCC[C@@H](C(C)(C)C)C1	2216253523	SKXWCFXBTNCPKW-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@H](C)[C@@H](O)CCCCCCCC1CC1	2216891963	CEJJWHCWEKVIDV-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)NCC1(CC(C)(C)CC)CC=CC1	2217125481	PWZGNYADNFSDFS-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(N)CCC(C3CC3)CC2)C1	2218896915	OGBMPNNCRDJVDN-VBJONLRCSA-N	249.442	4.501	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1(C)CC2(CCC2)C1	2221000304	KNPCRVIAMPHPSM-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1([C@@H](N)C2=CCCCCCC2)CC2(CCC2)C1	2221007559	SCAFFHPCYWRCRB-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)c1c(C)cccc1C	2222010607	CTXXQWQIZHSXRC-NVXWUHKLSA-N	248.410	4.799	0	10	BJAE	
Cc1ccoc1C(=O)CCCCCCCC1CC1	2223112208	AUPUSPQJXRBIMF-UHFFFAOYSA-N	248.366	4.911	0	10	BJAE	
CCCCC[C@H](N)CC[C@H]1CCC[C@H](C)C1	2242816195	MZSZRLCNEMRSHE-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCCCCCSc1ccccc1C(C)=O	2246112363	KSICCGSMOAAXPE-UHFFFAOYSA-N	236.380	4.562	0	10	BJAE	
CC[C@H](CC[C@H]1CCC[C@@H](C)C1)CNC(C)C	2246663805	GQOHESMWPNLOAE-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)C(=O)CCCC[C@H]1C[C@@H]1C	2247168857	BAHMKXYNAFFTPX-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)[C@@H]1CC12CCC2	2248264022	ZUMPWFYGTXOXSZ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1CCC=CCC1)NC	2250352088	JHRGFIZLJKVBDS-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC1CCC(CC)CC1	2250358989	PNJFYBJGCZIKTP-SSHXOBKSSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@]12CCCC[C@@H]1CC2	2251128177	PSXKQWNIYOMUEX-SQWLQELKSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)CC[C@@H]1CCCCC12CC2	2253790218	GPBHARBDJXEYBT-XJKSGUPXSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CNC3(CCCC3)C2)C1	2253972852	RIKVYUKTDIPMHT-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)CCC3(CCC3)C2)C1	2254002955	NPGGUCBJDUCVFV-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CN)CC1CC2(CCCC2)C1	2254052262	ATFMIECVMXABDO-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)c1cccc(F)c1	2254516560	LIVCLWSRJQSSEC-OLZOCXBDSA-N	248.341	4.615	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C1CCC2(CC1)CC2	2254583036	SQZNWHZILAPUIE-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@H]1CCCC12CC2)CC1(CC)CC1	2255227817	PVYWGINIKQQLBX-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1CC2(CC(C)C2)C1	2259591226	FUYXTYOJVURSDA-ONNPGMOUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CC1CC([C@@H](N)C2=CCCCCC2)C1	2261203876	SVECOWHIZUXKEI-BCLQGDPASA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)C[C@@H]1C[C@H]1CCC	2297876302	LRQQAKNQLQXRSW-WCVJEAGWSA-N	239.447	4.747	0	10	BJAE	
CCN(C1CCCCCC1)[C@H](C)CC1CCC1	2298880168	ZQKSJQNQGZCUNG-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CC(C)CCC[C@](C)(O)C1C[C@@H](C)C[C@H](C)C1	2300506535	AAQFAHHUJYHGIP-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CC(C)=C[C@@H](C)C1	2300702771	YOQSJNSWIZALDP-DOMZBBRYSA-N	236.399	4.764	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CCCC12CCC2	2300704348	QGUMLITWFLNWLL-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCC(=O)c1cc(C)c(C)cc1C	2300933296	BNMLAZGVCIMRHU-UHFFFAOYSA-N	230.351	4.541	0	10	BJAE	
CCC(C)(C)c1cnc(-c2ccccc2C)s1	2301188654	NBHANOVGFHDIGK-UHFFFAOYSA-N	245.391	4.806	0	10	BJAE	
CC(C)(C)CC1CC(CCC2(N)CCCC2)C1	2302555450	CFNSIFXGZYWUAL-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1CCC(C)(C)C1)NCC	2302676085	RHMBNDRWSBWYLC-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC1(CC)CC(N)(C[C@@H]2CCC(C)(C)C2)C1	2302688042	RVNWRZXDOIBQPV-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2CCC(C)(C)C2)CC1	2302764332	WTZSIEYHRFUJCK-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC[C@H]1CCC(C)(C)C1	2304352259	PSILCKFWPHGMRO-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)Cn1ccc2cccc(F)c21	2307806158	LLMUZSGAZSLYLR-LBPRGKRZSA-N	233.330	4.607	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1C[C@H]2CC[C@@H]1C2	2313168716	NXEOFULVQATUPL-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC(CC(=O)[C@@]23CCC[C@@H]2CC3)C[C@@H](C)C1	2313309162	YEOJJNZVDAZXLI-YOKBYHGQSA-N	248.410	4.598	0	10	BJAE	
CC(=CC[C@@H](N)[C@H]1CC=CCC1)CCCC(C)C	2316500924	AXQKVJMCCFFYRQ-DLBZAZTESA-N	249.442	4.833	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H]1C[C@@H]1C1CCCCC1	2316508939	FTWZZTFJJXMLBW-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC1CCCCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316697076	JSGFXEWHXDWXFW-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@@H]1CCCC2(CC2)C1	2316879667	GMVSPUUMPBEGJT-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@@H]1CCCC12CC2	2316885766	NVBUADBCJKPITO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317210558	CRLGQGKBPLSIOQ-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)c1ccc(C2CC2)cc1	2317831282	NBECUHUEECFPHY-CHWSQXEVSA-N	244.378	4.675	0	10	BJAE	
CC(C)[C@H]1CC[C@](N)(CCCC2=CCCCC2)C1	2318539586	PFDODGDYCSINLM-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CN[C@H]1[C@H](CCCC2=CCCCC2)CCC1(C)C	2318540757	QTUNFGZVHBQAIA-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2318937866	DPPUFTRFMZUFNT-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCC(C)(C)C2)cc1F	2319115483	LBLVZSBQESJCFA-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CC1=C(C)C[C@](CN)(C[C@@H]2CCC(C)(C)C2)CC1	2320260181	BLXCXBHUHVKYFX-WBVHZDCISA-N	249.442	4.668	0	10	BJAE	
CC1=C(C)C[C@H](NC[C@H]2CC[C@H]2C(C)(C)C)CC1	2320372967	MHFMUPDLMDXMAC-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CC1	2320409696	XKORXTRHLWGTAX-DLTWYDFYSA-N	246.394	4.518	0	10	BJAE	
CC1CC(C)(CC(=O)c2cccc(C(C)C)c2)C1	2320567525	LJHGDAUYWARTJU-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cc(N)cc(F)c2)c1	2327794725	MEDNLAQXJBUSCT-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H](C)c1ccccc1	20547029	NCBUBINXFVJJNU-HUUCEWRRSA-N	233.399	4.552	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccccc1CC	20565638	LRZMNPOYYSCURF-CYBMUJFWSA-N	219.372	4.630	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1	20566075	QTFCAJWHONIFHZ-HIFRSBDPSA-N	231.383	4.622	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H](C)CCC(C)C	21792118	ZOIATFXANVSSAC-GFCCVEGCSA-N	239.790	4.885	0	10	BJAE	
CCC(=O)c1ccc(-c2ccc(C)c(C)c2)s1	36927452	NZFPRZJDRZAMQK-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
O[C@@H](CC1CCCC1)c1csc2ccccc12	40258654	RGCLVDQBYVFXGS-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CC[C@@H](C)n1c(C2CC2)nc2ccc(Cl)cc21	40407684	AQXNLURSIUCTAU-SECBINFHSA-N	248.757	4.538	0	10	BJAE	
Cc1ccsc1-c1ccc(C(F)(F)F)cc1	60261054	MXDDTQOCBWZGSK-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)c2sccc2C)c1	70089750	LKONHLSHGTZJQJ-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)[C@H](C)C(C)C)cc1	70122563	GUUSPWAIFNEYPO-CHWSQXEVSA-N	232.367	4.675	0	10	BJAE	
CC(=O)c1cccc(-c2cccc(Cl)c2C)c1	82708992	IBEWKGCGUOVYDJ-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CC(C)(C)CCC(C)(C)CCNC(C)(C)C	87957540	PVZWJSIZFQKPGF-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(C)c(NC[C@H]2CCC[C@H](C)C2)c(C)c1	89607906	BGNYSEKVCGSAEW-LRDDRELGSA-N	245.410	4.850	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](NCCC)C1CC1	103949328	DQQLTZDMEABSCK-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C/C=C\C[C@@H](CC)c1ccc(C)cc1C	107530574	RTDXYPNGVFQKBU-BRLPQQTGSA-N	202.341	4.763	0	10	BJAE	
CCCCCC[C@@H](NCC)c1ccc(CC)cc1	112891054	ZAELMJRLUVVUJF-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CCCCC[C@H](CCCC(C)C)NCCC	133517210	COHILSZYQFKOCL-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
Cc1cccc(C#Cc2ccc(C(C)(C)C)cc2)c1	143382983	QVYVXERTTXETFH-UHFFFAOYSA-N	248.369	4.692	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1C1CCCCCC1	149209029	AWOLVXBDFSISBP-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H]1C[C@H](C)CC[C@@H]1CNC(C)(C)C	155996329	CNZWYKHBZHTMQU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)[C@H](N)c1c(C)ccc2ccccc12	160835445	ZUWPYMCVZZHEQL-DYVFJYSZSA-N	241.378	4.584	0	10	BJAE	
CCCc1cccc([C@H](N)CC2=CCCCC2)c1	161191289	NKSKUOAIQUIVPZ-QGZVFWFLSA-N	243.394	4.529	0	10	BJAE	
CCCN[C@H](CC1CCC1)c1cccc(C)c1C	167079216	RVOIJZOUOCUJDI-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCC(=O)[C@@H]1CCC[C@@H](C(C)(C)C)CC1	211708761	VUNPUXYVVGZCFH-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCCCCNC(C)(C)CCc1ccccc1	229280033	CGBJKPDVAILOOH-UHFFFAOYSA-N	247.426	4.568	0	10	BJAE	
C[C@H](CC(=O)C1CCCCCC1)CC(C)(C)C	229434737	BNFMQCLIMDZGCL-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCCCCN[C@H]1CCC[C@H](CC(C)C)C1	230766328	JYKHJXPUPGXZQE-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](O)c1cc2cc([C@H](C)CC)ccc2o1	232359376	HWHUKXJIVBWTKH-RISCZKNCSA-N	246.350	4.780	0	10	BJAE	
Cc1ccc(F)c(-c2nc(C(C)(C)C)cs2)c1	235902051	QVIXVOVWEADROH-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C(C)(C)C)C[C@H]1CCC	251184819	SDXBKZUVEFLNCS-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@H]2CCCCC[C@H]2C)C1	300079534	VHCFVOJGGFAYIZ-ORQFMDKSSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CCC[C@H](CC(C)C)C1	300309999	QRBSRICCJUVARJ-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](CCCC(C)(C)C)C1	304139831	GWCUUUJKBVVIIU-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCc1nc(-c2cc3ccccc3s2)cs1	304343552	PGWAWCZOWSKROI-UHFFFAOYSA-N	245.372	4.587	0	10	BJAE	
CC(C)C(Nc1cc(F)ccc1Cl)C(C)C	304403645	BRSXUNYVBYSSOE-UHFFFAOYSA-N	243.753	4.572	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)C)c1ccccc1	305950151	MWVSWDOKQPWWON-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
Cc1ccc([C@@H](C)NC(C(C)C)C(C)C)c(C)c1	306085257	JRHDEHBDOLUMKZ-OAHLLOKOSA-N	247.426	4.635	0	10	BJAE	
CCc1ccc([C@H](C)NC(C(C)C)C(C)C)cc1	306107960	SGNUYFFSULVCQY-AWEZNQCLSA-N	247.426	4.580	0	10	BJAE	
Cc1ccc2cc(C(F)F)sc2c1Cl	307311493	RBHKLBOKPGHKCP-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)C(C)(C)C(C)(C)C	310573500	OTIQSBWOYOBIKR-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)(C[C@H](C)C1CCCCC1)C1CC1	310590068	YSIALRLIKRFJHG-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](N[C@H](C)c1ccc(C)cc1C)C1CC1	310639541	ASIQBCBBXZEZBI-RHSMWYFYSA-N	245.410	4.533	0	10	BJAE	
CCC1CCC(CNC(C)C)([C@@H](C)CC)CC1	318139453	YHZDIFSLYISPKZ-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@H](C)[C@@H](C)CC	319580745	SNBLABIYCRBZLZ-SQWLQELKSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@@H](C)NCC/C=C\c1ccccc1	322940042	PGXPXGGMBZLRCN-MRDWYFFCSA-N	245.410	4.504	0	10	BJAE	
CC(C)NC[C@](C)(CC1(C)CCCC1)C(C)C	380059577	XTURSUHUHDQJQA-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1ccccc1C(C)(C)C	381068897	AVFVUWKONUJDSW-ZDUSSCGKSA-N	246.394	4.849	0	10	BJAE	
CC1(C)CCC(CN)([C@H]2C=CCCCCC2)CC1	381094092	NTHGRTBSLSOZRO-HNNXBMFYSA-N	249.442	4.668	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)c1csc(C)c1	381360084	HAPDQKAIJOTRKN-RISCZKNCSA-N	239.428	4.533	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H](C)CCC(C)(C)C	384149587	PMTFNQHSRHKAIH-LBPRGKRZSA-N	237.362	4.761	0	10	BJAE	
CC(C)CC[C@H](N[C@H]1CC12CCCCC2)C1CC1	387285459	NLMRXYSQPJZLHY-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(OCCC2=CCCCC2)cc1	395327924	DQRVXSSDZRCIJK-UHFFFAOYSA-N	230.351	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CC23CCCCC3)CC1	395677422	QRPUKOXZSNDRBI-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCc1c(S)sc2cccc(C(F)F)c12	396241853	LXIJWQIIXJSMAM-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CSc1cc2cc(C(F)F)c(F)cc2s1	396258918	XNVGQAKZAGJHEJ-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC(C)c1ccccc1-c1ccc([C@@H](C)O)cc1	404880983	BKJJZGOBNQZVNC-CYBMUJFWSA-N	240.346	4.530	0	10	BJAE	
CCSc1cccc(NCC2(C(C)C)CC2)c1	687531931	GUEXSBZANMYWQX-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H](C)C(C)(C)CC)C1	695107663	OMBGTSYFRJZWIO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C1(O)CCC(C(C)(C)C)CC1	701048133	QAMKSHHJWVDZJA-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1cc2ccccc2s1	701133032	XCMFODRFDSTGQW-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CCC(C)(CC)[C@@H]1CCCC[C@H]1CNC(C)C	701150755	WBELHLFUQZBDPZ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C1(CNC(C)(C)C)CC=CC1	704854495	KEHOEBADIIGJRL-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](NCC1CC(C)(C)C1)c1ccccc1	706222538	KAZVWFVTHCRVRG-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@@H](C)CCC	710249629	WXBKFJZCAQOSGV-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)CC[C@@](N)(C[C@@H](C)C(C)(C)C)C1CC1	710719286	IEDGHZGAPWTTME-CZUORRHYSA-N	239.447	4.602	0	10	BJAE	
CCc1ccc(N[C@H]2C[C@H]3CC[C@H](C3)C2)cc1C	711045016	DSZSOGCBVLCYCV-XOIINTDNSA-N	243.394	4.548	0	10	BJAE	
CC[C@H](C[C@H](NC)c1ccccc1C)C(C)(C)C	711097412	SJBRLTMEAPSUHC-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
C[C@@H](C[C@@]1(CNC2CC2)CC=CCC1)C(C)(C)C	711197761	GDODSCDGEVLBOT-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](CC(C)(C)C(C)C)NC	713144958	VNSXYZPKSAZZCM-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCC1CCC([C@H](O)CC(C)(C)C(C)C)CC1	713245988	JBEOMJUGPPTGSL-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C/CC[C@H](NC)[C@]1(C)CC[C@H](C)C1(C)C	713728098	LJQAVSLIKIZMEB-SVAZJHIJSA-N	249.442	4.559	0	10	BJAE	
C=C/C=C/CC[C@@H](NCC)C1CCC(C)(C)CC1	713740080	NRDQTHZYWBZMBU-KXPUMZMLSA-N	249.442	4.703	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H](C)C1CCC1	718564464	HZXDYWGDRDICJO-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H]1CCCCCC1(C)C	719224589	UPZRGJBVRACZGL-HUUCEWRRSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1CC1(C)C)NCC	723179518	RTYGLIAIPLZSGX-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1cccc(C(C)(C)C)c1	821962689	DLRNCLMILWYQKZ-BBRMVZONSA-N	247.426	4.681	0	10	BJAE	
CC[C@H](C)CSC[C@H]1CCCCC1(F)F	1307317232	DTMWYCVJMHOPCO-WDEREUQCSA-N	236.371	4.591	0	10	BJAE	
CCCCCCSc1nc(C(C)C)cs1	1652936730	BVADOBIOGBSUOL-UHFFFAOYSA-N	243.441	4.939	0	10	BJAE	
CCN(C[C@H](C)CC(C)(C)C)C1CCCCC1	1653148221	JENXFSLKNBSQBV-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCC(C)=CCC(=O)C[C@@H](CC)C(C)(C)C	1900857746	JLMJRDLERSEGMV-CYBMUJFWSA-N	224.388	4.764	0	10	BJAE	
Cc1cc2sccc2c(-c2ccsc2C)n1	1901899573	RTKCJUAVMWHTQH-UHFFFAOYSA-N	245.372	4.642	0	10	BJAE	
C=CC=CCC[C@H]1C[C@@H](C(C)(C)C)CCC1=O	1911778376	NPEBWOYBZZLTHX-KBPBESRZSA-N	234.383	4.540	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C1CC2(CCCC2)C1	1912705015	WEGNFJZWTVEGSN-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H]1CCCCCCCC[C@@H]1NC	1913391265	JHTJCZYUEVEGCV-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@H]1CCNC1(C2CCCCC2)CCC1	1921566139	YUTAWXMQEPHRFL-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@@H](C)C1CCCCC1	1924129395	FGLASQABRQBZLS-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)NC[C@@H]1CCC[C@@H]1C[C@@H]1C=CCCCC1	1925893061	RCGHDLIDNQKIPC-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)C1CCCCC1	1925925664	CEYQOCRBAMCBSZ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](C=C(C)c1cccc(N)c1)CC	1940980121	PKWQDMUQESCYBQ-AWEZNQCLSA-N	231.383	4.889	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](O)CCCC1(C)CC1	1941248898	RZWSSLSCUOWCKB-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)CC1CCCCCC1	1942651796	ALQQKRGRXPLHSB-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1CCC(F)CC1	1944536133	QJJKYKJHBZRPDL-ROKHWSDSSA-N	242.378	4.690	0	10	BJAE	
CCC[C@](O)(C[C@H]1CCC[C@H]1C)C1CCCC1	1944854250	XFZHDSODNWPRPV-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
Cc1c(C[C@H]2C=CCC2)ccc2ccccc12	1947551207	CWLUUABACGTDLW-AWEZNQCLSA-N	222.331	4.657	0	10	BJAE	
CCN[C@@H](C1CC(C)(CC)C1)C(C)(CC)CC	1948406262	XZJXGTKQCKGFGM-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@H](C)C1CCCCC1	1948925465	GAZPFRNQQMBVLE-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCC1(N)CC2(CCC(C)(C)CC2)C1	1950558552	DIHYECKLVTXHLR-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CCC[C@@H](C)CC1	1950923477	ULLFWAZDFOUHIL-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(=O)CC12CCC(CC1)C2)C(C)(C)C	1950956802	BYISVALSSODSIW-VEAWUBTESA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(NCC[C@H]2CCC[C@H](C)C2)c1	1968253197	YOQZPWYJBFWVHF-DZGCQCFKSA-N	231.383	4.623	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCC[C@@H](C)C2)cc1C	1968254265	DMTUJOCCEIKKBS-CZUORRHYSA-N	245.410	4.932	0	10	BJAE	
CC(C)c1ccc(OCC2CC3(CCC3)C2)cc1	1968402233	YGSCIQXKIBTISP-UHFFFAOYSA-N	244.378	4.769	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1C[C@H]2CCCC[C@@H]2C1	1968859675	QLAOEKQSORDZGZ-ANQUJSFKSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H](C)CN[C@]1(C)CCCCC1(C)C	1973518214	DMADVYXOYXYSOC-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCc1cscc1C(=O)C(CC)(CC)CC	1978450594	SEDBDUSVEVBUNR-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
Cc1cccc(Sc2cc(C)cc(Cl)n2)c1	1980321008	PTWBHZQRQJJZJO-UHFFFAOYSA-N	249.766	4.503	0	10	BJAE	
CC(C)[C@H](C)C(=O)C1(C)CCCCCCC1	1981428461	RASPVPBUJATBNW-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@H](CCC)CC(C)C	1984631218	ABWGTAHHOWZODH-ZWXLGZMVSA-N	225.420	4.523	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCC)C(C)=C(C)C	1989664994	MAZLZVACZDFHOK-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@H]1CC[C@H](CC)CC1	1989836522	GWRWYYBXHVIFLU-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](N)CC[C@@H]1CCCC(C)(C)C1	1994028259	BXYROBBAFTZTNB-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@]1(C)C[C@H]1C	1995202892	HXZOJEGNVWBDNN-GUTXKFCHSA-N	224.388	4.598	0	10	BJAE	
C[C@H](CCC1CC1)N[C@H](C)C1(C)CCCCC1	1995991357	ORPMPCXBWVMQIG-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC[C@H](C)C1)CC(C)C	1996262672	FYMZBCLMMWZSJV-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)[C@@H]1CCCC(C)(C)C1	2000161801	LDQYSGMPGJTWID-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@@H]1C=CCCC1	2000508692	LJZQZIUGMWONFE-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCCCN(C[C@H](C)CC(C)(C)C)C(C)C	2000900364	MRBXHCJVGGLMLK-OAHLLOKOSA-N	241.463	4.959	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C1CC(C(C)(C)C)C1	2002310805	RQWADJZYQFHSJO-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)[C@H]1CCCC(C)(C)C1	2002987488	XQJHUDFANZBFDO-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
CCCC1(CNC2CCCCCCCC2)CC1	2003100636	RVMLVTGUHWMNAH-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@@H]1CCCC2(CC2)C1	2003198342	QPVLRFGIWWXVFC-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@H](O)[C@@]1(C)C=CCCC1)CC(C)(C)C	2003333799	GYWYYYJGGVIOCI-FMKPAKJESA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@H]1CCCCC12CC2	2005598226	BTDLYUICMFBKNT-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)C1CC=CC1	2005782992	MLYDLQBGCKWLBU-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)C1(C)CCC(C)(C)CC1	2007690206	AFLRLWZJDUTGTI-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@]2(N)CCC[C@H](CC)CC2)C1	2007747835	XLJQSHDALPCRJU-LBDPXKHJSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1CCC(C)(C)CC[C@H]1O	2009420584	PXTZLRSVZSTZDO-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CCC1(C)CC1)NC	2009536077	QAYBWKOIKPRZSQ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@]1(O)C[C@@H](C)CC[C@H]1C(C)C	2009594764	SWTJQELSFGIMTG-YLGZPNTESA-N	238.415	4.556	0	10	BJAE	
CC=CCCCNc1cc(CC)ccc1CC	2009597316	CERSGAVQMRHNQA-UHFFFAOYSA-N	231.383	4.580	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C(C)(CC)CC	2009598982	UPRJMAOQQRCERY-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CCCC(C)(C)[C@H](NC)C1=CC[C@H](CC)CC1	2010704849	AAHKNZZYWIDENH-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
Fc1cccc(CCC2CC(=C3CCC3)C2)c1	2011089220	ZFXJCWNNUFSFTO-UHFFFAOYSA-N	230.326	4.649	0	10	BJAE	
C/C=C/CCCN[C@H]1CCCCC[C@H]1C(C)C	2011438770	TUXLGOBOCMANRT-SWJNODNISA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC(=O)CC1C[C@H]2CCC[C@@H]2C1	2011952879	FAMZIDZLRAMLBD-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@@H](C)CC(C)(C)C	2013319045	JZAIBDXEHMITHA-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCCN[C@@H](C)[C@H]1CCC1(C)C	2014938036	LUEIPKBLEQPRQS-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C)[C@@H](CCC(C(C)C)C(C)C)C(C)C	2015339390	OJHLTEPRYRCHJG-HOCLYGCPSA-N	241.463	4.575	0	10	BJAE	
CCC(C)(C)[C@@H](CCC(C(C)C)C(C)C)NC	2015343366	DGZNFLGJFPKLER-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
Cc1ccccc1NCCC(C(C)C)C(C)C	2015346366	DSPVBBONXOPNFP-UHFFFAOYSA-N	233.399	4.725	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1(C(C)C)CCC1)NC	2017140987	LWOZAZHYIMBDAV-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](O)CC1CCC(CC)CC1	2017648097	KIPLTSDBJOSQHW-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
CCCC1CCC(C[C@@H](N)C2(C)CCC2)CC1	2017727832	FAPWTIMJPPOFHR-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1C=CCCCC1	2018137893	ZTGOUUJKAABIBI-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC1(CCC)CC1	2019192332	JLYPERDFGWTCOQ-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCC(C)(C)CCN1CCCC[C@H](C(C)C)C1	2019380977	ZILPNIZLDGKALO-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CCC[C@](O)(CCC2=CCCCC2)C1	2019765952	GLBFAZQPTKMLMR-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@H]1CCCC(C)(C)[C@H]1N)CC(C)(C)C	2020360936	KZWGSGLUCBIRHY-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccccc1C1CC1	2021025750	BBXSHWCIQXXEHW-CQSZACIVSA-N	231.383	4.945	0	10	BJAE	
C[C@H](CC[C@]1(C)CNC(C)(C)C1)CC(C)(C)C	2022140936	JCHCSPDIGCTLAO-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](N)[C@H]1C[C@H]1C1CCCCCC1	2022388499	RBIXWZLHDUTWEU-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](CCC(C)(C)C)NCC	2022484963	QHMAJSYGYRLPNW-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CN)CCC1CC(C)(C)CC(C)(C)C1	2024100259	AZEKHPDBONCWNR-ZDUSSCGKSA-N	239.447	4.604	0	10	BJAE	
CC(C)=CCCc1ccc(C)c(C(F)(F)F)c1	2026349991	UCRKFWONBVYYSA-UHFFFAOYSA-N	242.284	4.913	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)CCC=Cc1ccccc1	2026895539	OLNHQEDTODVDDH-JKSUJKDBSA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)[C@@]12CCC[C@@H]1C2	2027313090	BVAVLGARYAPFBD-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1coc2ccccc12	2028231753	HZFROODQQRJPGF-BLLLJJGKSA-N	246.350	4.539	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1ccccc1C(C)C	2028239735	HVJWMRNJPQOGAG-NVXWUHKLSA-N	248.410	4.916	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](NC)c1c(C)cc(C)cc1C	2028251121	CVDYDJAWLBEQSY-DOTOQJQBSA-N	247.426	4.555	0	10	BJAE	
CC1([C@@H](O)c2cccc(C3CC3)c2)CCCCC1	2028551483	GPZCGHRHNOYUAI-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccc(C2CC2)cc1	2029074049	IECKKDVUYSCZKH-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H]1CCc2ccccc2C1=O	2029839056	WTKLCNOKRWWNDW-ZFWWWQNUSA-N	244.378	4.504	0	10	BJAE	
CCC1(CC(=O)[C@]23CCCC[C@@H]2CCC3)CCC1	2031853182	UYANBLLNEHTILA-PBHICJAKSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNc1cccc(C2(C)CC2)c1	2032509556	JNWMLQMWLPBSGA-ZIAGYGMSSA-N	243.394	4.586	0	10	BJAE	
CC(C)(C(=O)CC1[C@H]2CCCC[C@H]12)C1CCCC1	2032779767	SUOXZSPZGCMIIX-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1CC(C2CCCC2)C1	2033763818	DTBUENJVVWBXEJ-LHUBUQBQSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc([C@H](C)N[C@H](C)[C@@H](C)CC(C)C)c1	2036377730	WGGBAAGOHORGAL-XHSDSOJGSA-N	247.426	4.716	0	10	BJAE	
CC(C)CCC[C@@H](N)CCC=Cc1ccccc1	2037116949	VCFCPSRIVOAMNU-KRWDZBQOSA-N	245.410	4.634	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1CCCC1CCC1	2037222788	CESZSGMYMGPDOF-UKRRQHHQSA-N	243.394	4.802	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)C[C@H]1C=CCCC1	2037307696	UVEZUYGXKJSRNJ-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2cccc(C(C)(C)C)c2)C1	2037672202	LIFAUTAPRLNMFZ-JSGCOSHPSA-N	244.378	4.603	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](N)[C@@H]1CCC2(CCCC2)C1	2037684835	CANSOFFZIVHEQC-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]([C@@]2(CNC(C)(C)C)C=CCC2)C1	2037694732	OKSQAYVEAJRNIZ-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](Cc1nc2c([nH]1)[C@H](C)CC[C@H]2C)C(C)(C)C	2038006766	IALHXULFXOSTRT-UTUOFQBUSA-N	248.414	4.635	0	10	BJAE	
CCC[C@@H](NC[C@H]1CCC2(CC2)C1)C1CCCC1	2038584089	SURAHOTUZDTCGN-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC1(C(=O)c2ccc(CC(C)C)cc2)CCC1	2039735609	VEFJOUGKGNZOQQ-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
C[C@](N)(CCC1=CCCCC1)C12CCC(CC1)C2	2039845832	GIAQQYAIEHRRMG-CGZBRXJRSA-N	247.426	4.565	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)C1(C)CCCCC1	2039862294	MVPCAVHILDYHLA-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCc2cc(C)ccc21	2045293107	AUWKVFVSRWWWMV-RHSMWYFYSA-N	245.410	4.541	0	10	BJAE	
CCN[C@@H](CCCC1CC1)CC1CCC=CCC1	2045798072	XSWIBSKEUYUUKL-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC1CC1)CCC1=CCCCC1	2045804039	FQOITNPPORUPOS-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@@](N)(C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2048443434	OARIKSMAESCTLM-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048466415	XNRHXLBOFQABQN-ZSHCYNCHSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1CCC2(CCCN2)CC1	2048950969	RRYHECCLMDTZRU-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](C[C@H]1CCCC2(CC2)C1)C1CCCCCC1	2049855224	IYWHWYJYDVTEQF-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](N[C@H](C1CCCC1)C1CCC1)C1(C)CCC1	2052345395	OZFLLHXXOCAZAO-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)[C@H]2CCCCC23CCC3)C1	2053437595	XCWPDOVORIBHLD-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CCC[C@@H]2C(C)C)cc1	2056449508	IXEAHOUZZZFWLA-HZPDHXFCSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@@]1(C)C=CCCC1	2056876347	PMWHWKNFQBMATA-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCN[C@H](CC=C1CCCCC1)CC1CCCC1	2056880423	BXHWYODHWWXOKB-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC=CCCCN(C)C1CCC(C2CCC2)CC1	2059203059	GJCPPVPNULFXCO-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1[C@@H]2CCCC[C@@H]12	2059259885	TWSDQROMZFHXBA-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2C[C@H]3CC[C@H]2C3)C1	2059490391	RQNLFSRMMNLRTQ-VPABYTGTSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C1=CC[C@@H](C(C)C)CC1)C1(C)CCCC1	2061091679	KTPRLNVQZYSCFF-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
C=C=CCCC(=O)[C@H](c1ccccc1)[C@@H](C)CC	2061558187	SCTUKPXYARHPNN-YOEHRIQHSA-N	242.362	4.507	0	10	BJAE	
CCC1CCC([C@@H](N)CC[C@]23CCC[C@H]2C3)CC1	2061601509	HXXDTDCSFMPZBM-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc2ccn(CC[C@@]34CCC[C@@H]3C4)c2c1	2061602979	QPZICNBJODPGFC-NVXWUHKLSA-N	239.362	4.530	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1c(C)cc(C)cc1C	2061878171	DWUOSLDXQYECDJ-MRXNPFEDSA-N	247.426	4.828	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCC1	2063417563	DEQYMRHGPBRVHU-XOUADPBQSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)CNc1cccc(C(C)C)n1	2066348498	CCANRVLPBJOOOT-AWEZNQCLSA-N	248.414	4.833	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@@H]2CC23CCC3)CC1	2069172680	SRAWABKWXARBNH-ZBFHGGJFSA-N	249.442	4.502	0	10	BJAE	
CCCC1(CC[C@@H](N)c2ccccc2C)CCC1	2069342028	LBXZFKMRIMNLHG-MRXNPFEDSA-N	245.410	4.745	0	10	BJAE	
CCCC1(C[C@](N)(CC)c2ccccc2)CCC1	2069343007	VJCXKDXHPPVOIG-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
CC(C)CC1([C@H](O)c2ccc(C(C)C)cc2)CC1	2069513205	KFUHXJSXPMELSC-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
C[C@H](Nc1ccccc1C(C)(C)C)C1CC=CC1	2070793193	DCXBEZNZQKSJBW-ZDUSSCGKSA-N	243.394	4.751	0	10	BJAE	
Cc1cccc(C(=O)CC2(C(C)(C)C)CCC2)c1	2071920745	ZJXFWQSFTVFMEA-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@]12CCCC[C@H]1CCC2	2072419615	NNIMAHLBESFTJJ-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](CNC2CCC3(CC2)CC3)CC1	2072682603	WKAKPZMGAPYSGI-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2072704200	JTMPDJJZDSMFTA-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@@]12CCCC[C@@H]1C2	2074030226	RXDRCSMFURKEKX-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@H]2CC23CCCC3)CC1	2074641801	MXZSHZDIINMEGJ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CN([C@H]1C=CCCCCC1)[C@@H]1CCCCC1(C)C	2074804374	KNMSPVDFPRORAR-JKSUJKDBSA-N	249.442	4.776	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CC=CC12CCCCC2	2074906211	OMTHZANJCIIUJC-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCCCC23CCCC3)C1	2074906911	UWSYOMBAXGWFDT-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
CC=C(CC)[C@H](O)[C@@H](c1ccccc1)[C@H](C)CC	2077191176	ZUGPYUARIKZDSZ-XYPHTWIQSA-N	246.394	4.534	0	10	BJAE	
NCC1(C[C@@H]2C[C@H]2C2CCCCCC2)CCCC1	2079662997	YPOVDFZMQGLGSO-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
N[C@@H](CCCC1CCC1)[C@@H]1C[C@H]1C1CCCCC1	2079839364	SNYSYNJXPFPIBG-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)[C@]2(C)CC=CCC2)C1	2082977821	BOXYSYDWIPAUCP-YQQAZPJKSA-N	249.442	4.667	0	10	BJAE	
CCC(C)(C)CC(=O)CC1C2(CCC2)C12CCC2	2083533953	SBKWAOQCRWCZTJ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC(CCC)[C@H](O)CCCCC1CC1	2211113733	UPIFLMYJIMLSKS-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC=CCNc1ccc(Cl)cc1CC	2212636004	GCOJYIOOVLUVQE-UHFFFAOYSA-N	237.774	4.671	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@H](O)CCCCCCC1CC1	2213583579	UBOJACJQFHWOIS-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(CC=Cc2ccccc2)c(C)c1	2213825753	XZFFTEBTUIBXNS-UHFFFAOYSA-N	222.331	4.559	0	10	BJAE	
CC(C)[C@@H](CCCCCCCC1CC1)[C@@H](C)O	2216861666	WLAVQSMFPFVEQQ-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)[C@@]1(CN[C@@H](C)CC)CCC[C@H]1C	2217125392	PEAZELJMBSSELE-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](C)(CNC1CCC1)CC(C)(C)C(C)C	2217127143	VVVSJBIKZOVJET-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(N[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218333112	PTEMDGSHCKEKHL-FOLVSLTJSA-N	249.442	4.514	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1CCC[C@H]1C1CC1	2218731751	LXJOXHBVGQHNPW-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNCCCCCC1CC1	2218749780	LNASMBNTVPQZDO-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC[C@H]1CN[C@H]1CCCCC12CCCCC2	2220605251	HSJLEHJVEIIOMC-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2(C)CC3(CCC3)C2)C1	2221006200	KJAJHHPRZAIWIF-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CC2(C)CC3(CCC3)C2)CC1	2221085881	KTEDVVGYLPEZHK-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@]1(C)CC=C(C)CC1	2221634217	YAWALXHQDNYDRZ-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1=CCCC[C@H]1NCCCCCCCC1CC1	2223153830	FBKSGWISEAXANY-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)c1ccc2occc2c1	2224168890	XKLSEKFSTZTHCV-WBMJQRKESA-N	245.366	4.520	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H](CC)CCC	2244782393	MMXKBSSMFZQREJ-BKILABGBSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CCC1CCCCC1	2244787006	YOFDUMYTOKCQKD-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC1(C)CC(C)C1	2246524919	NHVNVGABHQOMOE-GRAKBVBRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C[C@H](N)CC1(C)CC(C)C1)C(C)(C)C	2246584474	JHQUCTCVTCOLNB-WJEHIRDRSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CCCC(C)(C)C1=O	2247096723	IGVRBKKAUORTII-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)C1(C)CCC1	2250469304	NJBICNYVVCBRFM-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)CC1(C)CC1	2250494794	DFGQTLJZHLXREV-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CCCCC(C)(C)NC[C@]12CCCC[C@H]1CC2	2251158717	PHYHLOSXXMPDKH-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C(=O)CC1(C)CC(C)C1)c1ccccc1	2253754099	RXGQXTQORAPNMZ-GULBITTBSA-N	244.378	4.576	0	10	BJAE	
CC(C)[C@@](N)(CC[C@@H]1CCCCC12CC2)C1CC1	2253843192	HTUKTNQEOXEHEL-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NCC[C@H]1CCCCC12CC2)C1CCC1	2253888895	IQWSZYNBZADXGE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)[C@H]1CC12CCCCC2	2254591836	MLHMRCCHNPJNHT-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)cc(C(=O)CCCC[C@H]2C[C@@H]2C)c1	2254606238	FHELUHKBSWRADR-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
N[C@]1(CC2=CCCCC2)CCCCC12CCCC2	2255091643	MKLHJAJEYWFLAL-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC1=C(C)[C@@](O)(CC[C@@H]2CCCC23CC3)CCC1	2255319295	CPUGXKWKGNCGRJ-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)O[C@H]1CCNc2ccccc21	2258835351	KRLTVVOVKYSIBM-CJNGLKHVSA-N	247.382	4.529	0	10	BJAE	
CCCC[C@H](CC)Oc1ccc(C(=O)CC)cc1	2258892566	UYYBROOXOZEPEH-AWEZNQCLSA-N	248.366	4.627	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@@]12CCC[C@H]1CC2	2260505706	ZITMEMBQRLQAHK-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@](C)(CC[C@@]23CCCC[C@H]2CC3)CN1	2260586751	JFXSVVYOVCPJHQ-UAGQMJEPSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@]12CCC[C@@H]1CC2)C1CCCCC1	2260610286	VCRWXRLONFOMKV-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1=CCCCC1)C[C@@]12CCCC[C@@H]1CC2	2260679452	REQBAPSFNHMFNV-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
C[C@H](CC1CCC1)[C@@](C)(N)CC1CCCCC1	2298927789	WMOKCGXOMZUWML-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@@H]1C=CCCCC1	2300468518	KLLZNDSMLUCOKO-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC(=CC[C@H]1CCCC[C@H]1N)CCCC(C)C	2300901598	LCBUIZPJLNDIBN-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)C(C)(C)C1CCCC1	2301827282	AEZUTOSBVQFJDJ-STQMWFEESA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)CCC1=CCCCC1	2301929240	TWWNZDXFGAESHG-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CC[C@@H]1C(C)(C)C	2303419171	ZUSSBPFNMSTUGN-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H]1CC[C@H]1C(C)(C)C	2303502426	APOMKGOBFBGKKS-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)N(C)C[C@H]1CCC(C)=C(C)C1	2303523971	LOGRSQAJZMSPSK-HOTGVXAUSA-N	237.431	4.633	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1CCC(CC)CC1	2307749831	ODEVKTQXKAWQBH-SHARSMKWSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)C1CC2(CCC2)C1	2307818015	WINPEFCAQHDWIL-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CCC)[C@H]1CC1(C)C	2307832565	UOHIGBORQUURSM-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CC(C(C)(C)C)C1	2307924000	MVZSAUXYBZGTOP-HSBZDZAISA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)C[C@@]12CCC[C@@H]1CC2	2313330287	HAVKNQQCXVFUAV-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(C[C@@]23CCC[C@@H]2CC3)C1	2313348879	OAYCGBYKGXODLR-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H]1CCNC2(CCCCC2)C1	2313595555	AGNUDDVFSJCHAO-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C(CC1CC1)CC1CC1	2313660973	UASLAQMGXVTFLC-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1C[C@H]2CC[C@H](C2)C1	2314421099	DKMBSXZDBOKAPL-ZHCJQAHYSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC[C@H](NC)c1ccc(C)cc1C	2316239567	RRTNSACEBUWARD-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1CCC[C@@H]2C[C@H]12	2316887230	VVBTWUKPZWAGRD-ZMSDIMECSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](CCC1=CCCCC1)NC	2317903897	JHUWQGACEVUCRQ-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(CCCC2=CCCCC2)C1	2318572439	FJOKPOOMGAHEAY-NVXWUHKLSA-N	247.426	4.731	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2[C@@H]3CCCCC[C@@H]23)C1	2319132446	ZMJCBSJDOQZAOT-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CNC[C@@H]2CCC[C@H](C)C2)CC1	2320267209	CIUHRPKPQNGABV-IAOVAPTHSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CCNC23CCCC2CCC3)C1	2321597946	CAXOOAUMMABJEA-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)C2(C)CC=CC2)c1	2327678641	XSKJVENCQUHESV-INIZCTEOSA-N	244.378	4.508	0	10	BJAE	
CCCC[C@H](CC)CCC[C@@H](N)C(C)(C)C	70743278	KCKFZUSSXAGNHU-UONOGXRCSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@H](C)NC1CCC(CCC)CC1	71105535	UVHLFBLSCXHKFR-NFOMZHRRSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CCCCCC2)CC1	86894429	BKGLKLULMKXLGP-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
CCCC1CCC(C(=O)CC2CCCC2)CC1	87959228	QVAVKVZPZZJQAQ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C)C(=O)c1ccc(C(C)(C)CC)cc1	90482223	GESSLZXFTOIZQT-GFCCVEGCSA-N	232.367	4.603	0	10	BJAE	
CCN[C@@H]1CC(C)(C)c2ccc([C@H](C)CC)cc21	94270527	LGQNMHOYLVWXIP-MLGOLLRUSA-N	245.410	4.532	0	10	BJAE	
CCCNCC1(C[C@@H](C)CCC)CCCCC1	104002333	XWJLWTXZYIHFMD-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CC/C=C\[C@H](C)Cc1ccc(C(C)C)cc1	107635392	AQECTWBFOBBLQD-AFNCTOJWSA-N	216.368	4.955	0	10	BJAE	
Cc1c(F)cccc1NC1CCCCCCC1	109939412	NVVPDINLMNYICK-UHFFFAOYSA-N	235.346	4.659	0	10	BJAE	
CCCC[C@@H](N[C@@H](C)C(C)(C)C)c1ccccc1	122580963	KUJAYTPWZXQVSS-GOEBONIOSA-N	247.426	4.942	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](O)C1CCCCCC1	157257190	HVPZSZNVRKHILD-IRXDYDNUSA-N	246.394	4.512	0	10	BJAE	
CCCCCCc1ccccc1SC	196541287	WJSPSFOZXGCFMB-UHFFFAOYSA-N	208.370	4.531	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](CCC)c1ccccc1	212686301	QMOHCHJLNJXMFC-DLBZAZTESA-N	247.426	4.739	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNCCCC2CCCC2)C1	225103525	VEOKIADTBIVOGF-RHSMWYFYSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@@H]2CCCC2(C)C)cc1	226560484	FPXLUJJQIGWLSO-JKSUJKDBSA-N	245.410	4.636	0	10	BJAE	
Cc1cc(F)c(-c2ccc(C(C)C)cc2)cc1N	232106235	IQDKUQYRUDLGFY-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CCCC[C@@H](CC)[C@H]1CNc2c(F)cccc21	232996338	GVDFMCLAHRTGEW-DGCLKSJQSA-N	235.346	4.551	0	10	BJAE	
CCC[C@H](C)C[C@H]1CNc2ccc(Cl)cc21	233332249	LVZKMAGNWMADRH-QWRGUYRKSA-N	237.774	4.675	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)C(CC)CC	233518407	XKFVBMVHQNFTFI-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@H]1CCC[C@H](CC)C1	253050465	UHYQKGLHGJIJAA-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)[C@H](CC1CCCCCC1)NCC	300464780	KUPQTHISUMSIKQ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)[C@H](CCC1CCCCC1)NCC	300471196	WOCJSHLFTNPFHH-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](O)CCC1CCCCC1	302252410	LFTQQFAOYMIKFC-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccc2ccccc2c1	302466952	XAMYYLRNYXFZPH-DYVFJYSZSA-N	242.362	4.700	0	10	BJAE	
Fc1ccc2sc(Cl)c(C(F)F)c2c1	306631875	DSPWNNCAHJFIAZ-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCOc1cc(Cl)c(Cl)c2sccc12	306907316	NHGQEOZTSNHXIR-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2CCC[C@H](C)C2)c1	310151934	PHVNETHGSPKZJP-SWLSCSKDSA-N	232.367	4.509	0	10	BJAE	
CCc1ccc([C@H](C[C@@H](C)CC(C)C)NC)cc1	310576163	BGOJDUYCLZGUGF-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
O[C@H](CCC1CCCC1)c1ccc(C2CC2)cc1	310612987	FDOHHCRSQPFLFJ-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCC[C@@H](N[C@H](C)c1cc(C)ccc1C)C1CC1	310681010	RUGMGKMLVUCBOS-RHSMWYFYSA-N	245.410	4.533	0	10	BJAE	
CCCC1([C@@H](NCC)C2=CCCCCCC2)CC1	310734611	DGRIFHPWTYHWNR-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCCC23CCCCC3)C1	313088721	XNSYPKPYKPDEIH-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](C)CC1(CNCC)CCCCCC1	317060530	IDWZSPLGBUTNQD-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)c1cccc2ccccc12	319084657	BJIRXIYDAIKCHZ-AHIWAGSCSA-N	241.378	4.522	0	10	BJAE	
CCCN[C@H](C(CC)CC)C(C)(C)C1CCC1	322636636	ULAHPLLMJLFNGW-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)CNc1ccc2sccc2c1	381867883	XVAHAVQIAABYAJ-NSHDSACASA-N	233.380	4.605	0	10	BJAE	
Cc1cccc(NCCCCCC(C)C)c1C	383133846	LCLIEJXSKVWYLA-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CCN[C@H](C)CC(C)(C)C[C@@H]1CCC[C@@H](C)C1	383869010	HNNTYMCPVUPMMI-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@@H](N)c1ccc2ccccc2c1C	384677509	FLVYFIOKNCYQIB-YVEFUNNKSA-N	241.378	4.584	0	10	BJAE	
Cc1c(-c2cccc(C=O)c2)ccc2ccccc12	384807268	ZQIBPAJOPVOSGN-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@H]1C[C@H]1CC(C)C	387815099	KYGWHMBGTAHOCL-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
Cc1cscc1NCCC1CCCCCC1	394598509	ZAOCENNTNNJRCS-UHFFFAOYSA-N	237.412	4.829	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CNc1ccsc1Cl	394824468	JKGMPTAIYNICCI-NXEZZACHSA-N	243.803	4.640	0	10	BJAE	
Cc1cc2c(C)csc2cc1C(F)(F)F	396197371	MJNUABQQKJDACC-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCc1cc(C(F)(F)F)c(C)c2ccsc12	396302406	KXRKIAGMCUDBPC-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
C[C@H](CNc1ccccc1C(C)(C)C)C1CCC1	398618186	DDPUMOVPSSGZSY-CYBMUJFWSA-N	245.410	4.832	0	10	BJAE	
Cc1cccc(-c2ncc(C(C)C)s2)c1C	405179436	FJXGFNBMFHBNAU-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CC12CC2)NCCC	687497963	YBFBNHCVPLWSHJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@@H](C)C(C)C	688367064	DHTVZYLYLCUWJF-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(F)(F)C(C)(C)CC(=O)C1CCCCC1	691001605	UNKAAPLCEHTXQA-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCCC[C@@H]1C	691097259	GLRZCMPLISXKHU-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CCCNC[C@@H](C[C@@H](C)CC)C1CCCCC1	696836480	JFIYZFPVFZWIMF-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCNc1cccc(C2CC2)c1	703997027	YSHAMHANVZILRO-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](CCC=C(C)C)NC	704863718	HLTPPDWLGYTWCB-DLBZAZTESA-N	245.410	4.515	0	10	BJAE	
C[C@@H](C[C@@](C)(N)C1CCCC1)C1CCCCC1	704899300	OESWRCAIMSENEB-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C(CC)CC	704941547	NZMOTFUYXBSLPG-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC1(CNC[C@@H]2CCCC23CC3)CCCCCC1	706291567	ACMSOKCJIOIAOM-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCSc1cccc(N[C@H]2CCCC23CC3)c1	706616703	UFCLNHYQMRPWIU-AWEZNQCLSA-N	247.407	4.543	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCC[C@H]1CC=CCC1	706959507	KELVBGJYVKJRFM-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@@H](C)CC(C)(C)C	709120904	ATYHUWJPAWDIAY-RDBSUJKOSA-N	228.420	4.636	0	10	BJAE	
CCCCCCN[C@@H]1CCCCC[C@@H]1C(C)C	709215764	HDHNSGZOPPTUAD-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@@H](C)CC(C)(C)C)C1	709258423	JHIAZUORIINMNW-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]3C[C@@H]32)CC1	710606794	HPAKKLYNXBJSLJ-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C[C@@H](O)c1csc(Cl)c1)C(C)(C)C	710773531	OQDCARWZVLDPDE-WCBMZHEXSA-N	246.803	4.507	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(O)C[C@H](C)CC(C)(C)C1	713148194	YVSPXZNLHNUHND-CJNGLKHVSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CCC[C@@H](CC(C)C)C1	713246881	YECMXVGSLDVHBN-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)C1CCCCCCC1	713264231	NCOGWDUVAUYMEG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)c1ccc(Cl)cc1	713702519	AUELBAVSODOFQC-YVACAVLKSA-N	249.785	4.513	0	10	BJAE	
C/C=C/C[C@H](CC)c1ccc(SC)cc1	714532292	MOVANKMZJYBJLC-FUEXJSSKSA-N	220.381	4.868	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC(C)(C)CC1=O	717436799	GUFXNWSSNGSJGF-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC[C@]1(CCCC(C)(F)F)CCCCCN1	718721160	FFHORPQGZNLJEO-CQSZACIVSA-N	247.373	4.514	0	10	BJAE	
CC(C)=C(C)CCC1(CN)CCCCCCC1	718733673	YRXCDRDGCPKOSZ-UHFFFAOYSA-N	237.431	4.812	0	10	BJAE	
CC1(C)CCCCC[C@H]1NCC1CCCCC1	719294934	VGGQVZKOSYQFKI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](c1cc(C)ccc1C)C1(C)CCC1	720711079	YCTZYENTPFEACN-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C1(CC(C)C)CCCC1	723129876	ZLDMGRJAJXCELI-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(CN(C)C[C@@H](C)C(C)(C)C)C(C)C	1653075189	ABECZLLMYSDSAF-CQSZACIVSA-N	241.463	4.529	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@@H]1CCC[C@H](C)C1	1876996700	ZRZBKSAEFVWRMJ-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC[C@](C)(O)C1(C)CCCC1	1900697396	PGTFLDRYSVGEJU-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1ccc(Cl)cc1F	1901710803	TUJRUJVXEZSOBX-UWVGGRQHSA-N	243.753	4.572	0	10	BJAE	
CCC(CC)c1ccc(F)cc1C(F)(F)F	1901881430	OWQSLRMOQGFZSS-UHFFFAOYSA-N	234.236	4.748	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@H](C)C(C)(C)CC	1905445142	JBAFWMMOBBQYEN-ZIAGYGMSSA-N	227.436	4.569	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC[C@@]12CCC[C@@H]1C2	1908414999	SJVCOCYBPGQJCG-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNC1CCCCCCCC1	1908528663	XCEBPVZEIQVQTN-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C=C(CNC)C2CCCCC2)CCC1	1911962652	SRQSCDIYUBEBBJ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@@H](NCCC)C1CC2(CCCC2)C1	1912614208	PLRBCVDKFOYTNH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1CC(N)(C[C@H](C)C2CCCCC2)C1	1921261709	LWVHRUPGOKHAGI-HLIUYOAVSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@@H]1CCCC12CCC2	1921587953	ZYDIYASBTASMFH-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@H](CC)NC1C[C@H]2CCC[C@H](C1)C2	1923475248	QKOGURKUTSFBQZ-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](NC[C@@H]1C=CCCCC1)C1CCCC1	1925813815	DOLSOUACIYRZDY-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@H](C[C@H]2C[C@H]2c2ccccc2)CCCC1	1925832239	FQBCDFIGRVTPFN-XIRDDKMYSA-N	226.363	4.927	0	10	BJAE	
CC[C@H](C(=O)CCC1=CCCCC1)C(C)C	1936211415	VJLPOWBLFYASLZ-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)CC2(C)CCCCC2)C1	1940411683	XZVGXBIGINCDNC-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)CC1(C)CCCCC1	1940790433	NJTMQABILPMUSW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC(C)(C)NCCC[C@H]1CC1(C)C	1940878148	UPHKASBEVRRTPR-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](N)CC(C)(C)C1CCC(C(C)(C)C)CC1	1941144332	LRUCKNVOPFINKK-IYXRBSQSSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C(=O)c1cc(C)cc(C)c1)C(C)C	1941264517	RWBGDRIQGNTNGP-OAHLLOKOSA-N	232.367	4.558	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1CCC2(CC1)CC2	1942652508	IFPCNGZULPKFMZ-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](N)CCC1CCCCC1	1944820191	PMRLKHJBQPMYIQ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)CC(C)(C)F	1947080460	DQSHNYQJLNHKSX-CQSZACIVSA-N	245.426	4.709	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@H]1C=CCCC1	1947576787	QJNIXZAGZCSYCS-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C[C@@H]1C=CCCCC1	1949140544	VNCNYVOZAAFCAM-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](CCC)NCC1CC2(CCC2)C1	1949845116	FROQIASUMDWOTA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccccc1N[C@H](CC)CC1CC1	1950100318	MKOKDJUEBYVMKS-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
CC(C)NCc1ccc(C2=CCCCCC2)s1	1950823675	MMHUCWHACCWGHP-UHFFFAOYSA-N	249.423	4.594	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)[C@@H]1CCCC(C)(C)CC1	1950915315	ZIBUYKDBOMVADL-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)[C@H](NC)[C@@H]1CCCC(C)(C)CC1	1950920006	RBJLTLPKTJSJHS-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)c1cc(Cl)cs1	1955275624	YLNSTEMBZCEOJV-UHFFFAOYSA-N	230.760	4.555	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCC3(CCCC3)C2)C1	1967782047	DVMDDTJJPYRPCY-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(C)c(NCC[C@H]2CCC[C@@H](C)C2)c1	1968230616	SNRXVTPSZFSFIW-CZUORRHYSA-N	245.410	4.932	0	10	BJAE	
Cc1cccc(N[C@H](C)c2ccc(F)c(C)c2)c1	1968251560	HGCDONOEDFBSFJ-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCC1(CC)CC(Nc2ccc(F)c(C)c2)C1	1968592637	XHRDQKPSXSLDKY-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCC1CCC(CN[C@@H](C)C(CC)CC)CC1	1969176662	IWJYEOMVKGSVGP-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@@H]1CCCC12CCCC2	1969958312	FXDUTEDQGMSRIY-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1CCC(N[C@H]2CCC3(CCC3)C2)CC1	1970999143	UNLHPTKBQKZJLU-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H]1CCCCCCCC1=O	1980317993	ULKJINRWNKWXHM-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
C=C=CCCc1ccc(C2CCCC2)cc1	1985446817	ILAOQMPVXNYKCG-UHFFFAOYSA-N	212.336	4.618	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)C(C)=C(C)C	1989664997	MAZLZVACZDFHOK-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](Nc1cc(Cl)c(F)cc1C)C(C)C	1995047054	DAFYLLUZYAFQJD-LBPRGKRZSA-N	243.753	4.634	0	10	BJAE	
c1sc(CCC2CC2)nc1C1CCCCC1	1995496439	LTCJFTSCHNAOBS-UHFFFAOYSA-N	235.396	4.533	0	10	BJAE	
CCC/C=C/CNc1ccc(C2(C)CC2)cc1	1995872100	FQOFENNJVNHLPY-AATRIKPKSA-N	229.367	4.506	0	10	BJAE	
CCCC1(CN[C@@]2(C)CCCC2(C)C)CCC1	1997342000	QTCMUPQYSYJOMK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@]1(C)CC=CCC1	1997606250	HYGOPFIBQLWQBR-GDBMZVCRSA-N	236.399	4.908	0	10	BJAE	
CC1CC([C@@H](C)Nc2cccc3ccsc23)C1	1998658253	QEEQMPKCQBPYSQ-QWKFWESOSA-N	245.391	4.748	0	10	BJAE	
CC(C)NCC[C@H](C)C[C@@H]1CCC=CCCC1	1999997135	VPKOGFGQVZCXGF-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H](C)C1(O)CCC2(CCCCC2)CC1	2000283648	UBLLKRZPBXLHRM-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)C[C@@H]1CC=CCC1	2000515953	ULMBIXNDVQGTDD-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@H]1C=CCC1	2000520606	MIDYDPCSLFFUBD-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CCC23CCC3)s1	2001852146	SAJKQEKAUWDKHZ-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CN)CCCC(C)(C)C1	2002981653	CZGVDARHFCGBLA-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCCCCCCC2=O)C1	2003074486	MUHNGDYTUJBNHG-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](O)CCCCCC2CC2)CC1	2003104311	SUHAJKDMQIIVLU-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCC[C@H]1C1(O)CCCCCCCC1	2003117445	CDTAFINDZVRMKM-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1CCCC2(CC2)C1	2003284602	IOLCDQKGLVJVNX-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)CN[C@H]1CC[C@@H]1CC(C)C	2004713021	WAXRTVNWERUERI-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@@H](C)CC(C)(C)C)C1	2006671933	ZGBZNCGMCDDRFO-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)C1(C)CCC(C)CC1	2007697412	PEDZBMUOMTUSGK-PYBGIAKNSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc([C@@H](N)C=C2CCCCC2)c1Cl	2007937973	SQYVWMPITFGJGY-AWEZNQCLSA-N	249.785	4.539	0	10	BJAE	
CCC1(C[C@H]2CCC(C)(C)CC[C@@H]2O)CCC1	2009406187	FKFLMHCOPSGFBX-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)CCC2(C)CC2)CC1	2009551032	DHSXLWVDLLOZFC-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H](CCC)C(C)C	2009615772	BSVIJRXWJRYXDS-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@@H](CC1CCCC1)NCCC	2009616800	MDKZWHPROQZRGF-WMHVBEDNSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCCCC[C@@H](NCCC)C(C)(C)C	2009618804	FPBNRLBDIORJNH-PMGBHYCQSA-N	239.447	4.927	0	10	BJAE	
CCCC1CC(NCCCC2CCCCC2)C1	2009716689	XRYBYTZJAJUOBF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C=C=CCC[C@@H](C[C@@H](C)C(C)(C)C)NCCC	2010977521	QPQPKFKSHYJQCA-CABCVRRESA-N	237.431	4.548	0	10	BJAE	
CCSc1cccc(NCCC[C@H]2C[C@@H]2C)c1	2011580963	MGDHGKXXSHEFQV-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C12CCCC1CCC2	2012136831	SPMSOKONSHWAFA-HLIUYOAVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C[C@@H](C)CC(C)(C)C	2013305001	YFCQLJJYMFBWMS-GJZGRUSLSA-N	241.463	4.815	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCC1(C)C)C1CCCCC1	2014850129	SRQDVGCFXCSPKY-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@H](C[C@@H](C)C(C)C)NCC)CCC1	2015403203	YAJVNJFZOLHKSG-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@H](CC(C)(C)CC)NC)CCC1	2015642243	OHAZIFIWAWJGCD-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC1([C@H](N)CCCCCC2CC2)CC1	2015749697	PERLVVQTSAZLHL-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1(C(C)(C)C)CCC1	2017098607	VJFQUPLCPWUITO-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC(C)C1(C[C@@H](O)[C@@H](C)CC(C)(C)C)CCC1	2017118495	HVIWACWQQSYOJP-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)N(C)[C@@H]1CCCCC12CCCCC2	2019306940	DSQKDQPMDLMHLO-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
CC(C)CCN(CCCCCF)CCC(C)C	2019320174	WPKYMKVRNKMWNA-UHFFFAOYSA-N	245.426	4.520	0	10	BJAE	
C/C=C/CCCNc1ccccc1C1CCC1	2021026176	MQNQIRHGMUDTBI-NSCUHMNNSA-N	229.367	4.722	0	10	BJAE	
Cc1ccc(C)n1[C@H]1C[C@@H]1C1CCCCCC1	2022442968	MXZNTVLOSREUFX-CVEARBPZSA-N	231.383	4.636	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CCC[C@@H](C)[C@H]1C	2022999902	XWHPHOSVJMCATD-QKPAOTATSA-N	239.447	4.568	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@H]1CCCCCC(C)C	2023609966	XDJCZOMVQRMHKA-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CC(C)(C)C1(C)C	2025019404	QDGTYOHFVPGZRL-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC1(CC[C@@H](O)c2cccc(C3CCC3)c2)CC1	2027736982	PTLXTNSUQSWYQB-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3CC[C@@H]32)cc(C2CCC2)c1	2027993328	FLIVQAZYDYJZKN-XOKHGSTOSA-N	241.378	4.555	0	10	BJAE	
N[C@H](c1cccc(C2CC2)c1)C1CCCCCC1	2028550227	UQQZUYNVCCIKAR-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CCCN[C@@H](CCC1CC1)CC1CCC=CCC1	2028907823	MYWYDUZSQIKWAP-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C1=C(CCN[C@]23CCCC[C@H]2CCC3)CCCC1	2031798267	KVGSJHYYSVWTDZ-IRXDYDNUSA-N	247.426	4.579	0	10	BJAE	
CCC[C@H](Nc1cccc(C2(C)CC2)c1)C1CC1	2032246296	MOIMSEZNZGTRAG-INIZCTEOSA-N	243.394	4.729	0	10	BJAE	
CC(C)(C)c1ccccc1C(=O)[C@H]1CCC1(C)C	2033553588	AVFDLIYZSWJBCG-CQSZACIVSA-N	244.378	4.603	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)CC[C@@H]2CCCC[C@H]21	2034258945	IYCROWFDDCZORD-UAGQMJEPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1c(C)cccc1CC	2035425897	TZLPVNXTCNSEEY-HOTGVXAUSA-N	245.410	4.938	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)[C@H]1CCC(C)(C)C1	2035575186	FINIMRBEYRFHNU-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@H](CNc2cccc3ccccc23)CCC1	2035598508	JZGMLTRKUFSJAV-AWEZNQCLSA-N	237.346	4.608	0	10	BJAE	
C[C@@H](CC[C@@H](O)CC1CCCC1)c1ccccc1	2038107204	DYGDNCKEQVDYOS-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](C)(O)c2ccccc2)C1	2038164518	JLBBXKLEGUQSDU-INMHGKMJSA-N	246.394	4.501	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)[C@H]1CC12CCCCC2	2038998755	FHRXYTYFSKMVSG-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](N)CC23CCC(CC2)C3)CC1	2039353527	HMUHLWIIAYSWTQ-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CN(CCCC1CCC1)[C@@H]1CCCC2(CCC2)C1	2041297615	VVHPNLBDVHSVNE-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)C1CC(C[C@]2(N)CCCC23CCC3)C1	2043006232	DJAYAFSGSZIABA-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC1CC([C@@H](C)Nc2cccc(C3(C)CC3)c2)C1	2043544782	UMQUDQCSURCCHT-ROKHWSDSSA-N	243.394	4.585	0	10	BJAE	
Cc1cccc(F)c1N[C@@H](C)C1CC2(CCC2)C1	2043546840	LEAQXVVNKCXZJA-LBPRGKRZSA-N	247.357	4.515	0	10	BJAE	
CCCNCC1(C[C@@H]2CCC=CCCC2)CCC1	2045319756	GZTHXISNHLBWIS-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCC1(NC[C@@H]2CCC=CCCC2)CCCCC1	2045320733	OYOXMIJEGRYWOI-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2CC[C@@H]3C[C@H]3CC2)C1	2045459760	HEBJUVHRVQRHBD-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1c1ccc(C(=O)CC2CCCCC2)o1	2045562051	NJBZAIQYEGZIPI-DGCLKSJQSA-N	246.350	4.556	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)C1	2048467223	MFGDMTMNMKDTKU-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(NC[C@H]2[C@H]3CCCC[C@H]32)CCC1	2049677371	BQEKTOFSCSCDKR-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@H](C)C(C)(C)C)c1cccc(C)c1	2050455915	LBLMQRABOSZQNI-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)[C@H]2CCCCC23CCC3)C1	2053437597	XCWPDOVORIBHLD-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@@H]([C@H]2CCC3(CCCC3)C2)C1	2055038885	LEKHPPFYMMSSQN-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@H]2CC=CCC2)[C@@H]1C	2055622452	DHSOGSFXLUHWJU-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](NC2CCC3(CCCCC3)CC2)CC1	2055848137	FVTJKRIQJXRXLI-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
CCCN[C@H](C=C(C)C)C1(C)CCC2(CC2)CC1	2056557814	YDSPJELIJLFSMU-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C=C1CCCC1)c1ccccc1C(C)C	2056872280	BILNIABBFZCVKV-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CN[C@H](C=C1CCCC1)C1CCC(C(C)C)CC1	2056877837	DJTCCFBBPMZNFE-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
C/C=C/C[C@]1(CNC2CC2)CCCC(C)(C)CC1	2057060301	OWUBFGBIJMHXEZ-BDUNBXCCSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CNCC1CC(=C2CCC2)C1)CC(C)(C)C	2061634353	FTOIPUFFAAPQRG-ZDUSSCGKSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC1CC(=C2CCC2)C1	2061722557	KXDDLBWOZNQUBQ-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC(C)CC(C)(C)CNCC1CC(=C2CCC2)C1	2061727987	DVQJHTMZZGCJNR-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC=C([C@]2(O)CCCCCC23CC3)CC1	2062030415	DSKXXQULTZYCGR-WMLDXEAASA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC23CCC(CC2)CC3)C1	2065279129	GRHMMXNHTOUPHH-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC12CCC2)C1(C)CCCC1	2067518105	ULLIDJKRKBHKEB-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC2(CC3CC3)CCC2)CC1	2069505182	KCYOBJSZXORFGT-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNC1(CC2CCC2)CC1	2069561696	LQCJAAWOMGHSOS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2070310369	SKJJEAPPRVYPMO-YYIAUSFCSA-N	249.442	4.667	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1C[C@@H]2CCC[C@@H]2C1	2070400938	ZRXOESWANLWNNC-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC(C)(C)C1=CCCC1	2070414350	SAEYNUVTCQKCEY-OAHLLOKOSA-N	249.442	4.847	0	10	BJAE	
CC(C)(C)C1([C@@H](N)C[C@H]2C=CCCCC2)CCC1	2071933755	NRABDSPWMZLPBI-GJZGRUSLSA-N	249.442	4.667	0	10	BJAE	
CNC[C@@]1(CC2(C(C)(C)C)CCC2)CC=CCC1	2071940233	IQFGVAJHRBAPHV-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CC1(C[C@@H]2CCNC3(CCCCC3)C2)CCCC1	2074133830	NKPIFELPOIHCHO-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCCC1(C[C@@H](N)c2ccc(C(C)C)cc2)CC1	2074569253	PUFBEFLJQKKXHO-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CN(C1CCC2(CCCC2)CC1)[C@H]1C=CCCC1	2075081941	JSVSWLKEGVAPML-HNNXBMFYSA-N	247.426	4.530	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)C1CCC1)c1ccco1	2075809772	BIDUXFCMFZVDBT-ZFWWWQNUSA-N	249.398	4.537	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@H]1C[C@H]1C1CCCCC1	2079426518	BLVYLQPQOHBRDP-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(CN[C@H]2C[C@@H]2C2CCCCC2)CC1	2079525409	AMXYZADPFXTFOE-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
C1CCCC([C@H]2C[C@H]2NCCCC2CCC2)CC1	2079529863	MSUOSDONIUQIET-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(NC[C@@H]2C[C@H]2C(C)(C)C)ccc1C	2079617777	BIQCXYBPBGXDCI-GOEBONIOSA-N	245.410	4.652	0	10	BJAE	
N[C@@H](CCC1CCC1)[C@H]1C[C@@H]1C1CCCCCC1	2079817273	CSSAXJYDNZZPSM-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@@H]1C[C@@H]1C1CCCC1	2079865290	OUVNTXDKAWDPLH-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)[C@@]2(C)CC=CCC2)C1	2082977819	BOXYSYDWIPAUCP-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
C1=C[C@H](CC[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2210344726	QAPRZSZXJHHYJH-CAOSSQGBSA-N	218.384	4.949	0	10	BJAE	
CCCC[C@H](NCC)c1sc(C)c(C)c1C	2211701695	NLBYMXXBDBQXLE-ZDUSSCGKSA-N	239.428	4.514	0	10	BJAE	
CCC[C@](C)(O)CCCCCCCC1CC1	2212445411	AMNMWEANQRVLOM-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CCCCC1CC1	2214570818	UYDDGFORYQTBJY-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCCCC2CC2)CC1	2214577221	BKWRRGLIGHECQO-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCNCc1sc(C)cc1C1=CCCCCC1	2215909447	OKBCRMLQYMXHBH-UHFFFAOYSA-N	249.423	4.514	0	10	BJAE	
CCCN[C@H]([C@H]1CCC1(C)C)C(C)(C)CCC	2216283653	UQUQBXHSNTYLMZ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1=CCC[C@]1(O)CCCCCCCC1CC1	2216880623	XIHXJVNAAHHXJL-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCCC(C)(C)CNC1CCC1	2217137277	KNZQHGGXHPXPDK-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2218331772	FOJLYQLRGHHMBO-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](CC=Cc1ccccc1)NC	2219096882	ZWIDBHPHTKKBBK-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
CN(C[C@]1(C)CC=CCC1)[C@H]1C=CCCCCC1	2221600318	JSWHECQTSVNZMZ-DLBZAZTESA-N	247.426	4.554	0	10	BJAE	
NC1(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1	2222934096	QWUUVOQLOAUHTF-OWCLPIDISA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(N2CCC[C@]2(C)C2CCC2)CC1	2223856256	BJPOWGRMVCVBFG-BDVYOWHSSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)[C@@H](C)CCC(C)C)cc1	2223969934	ZNKHPGAVBMMADY-LSDHHAIUSA-N	246.394	4.740	0	10	BJAE	
Cc1ccc(Cl)cc1OCC1=CCCCC1	2243271268	NLOKXHHLKXLQBT-UHFFFAOYSA-N	236.742	4.528	0	10	BJAE	
CCCCC[C@H](O)c1ccc(C2CCC2)s1	2244695211	SHTAAHNTAGXOSR-LBPRGKRZSA-N	238.396	4.629	0	10	BJAE	
CCC(C)(C)C(=O)c1ccc2ccsc2c1	2246139403	SYZUZWKPEQMGIJ-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CN[C@H](CCC=C(C)C)c1csc(C2CC2)c1	2248043674	BIHUGHLXOWYAFD-CQSZACIVSA-N	249.423	4.632	0	10	BJAE	
CCN[C@H](CC=C(C)C)c1csc(C2CC2)c1	2248050600	ZMWRUAIOICISKJ-CQSZACIVSA-N	249.423	4.632	0	10	BJAE	
COc1cc(C)c(CCC(C)=C(C)C)c(C)c1	2248944890	CQBKUUOJVVIGBR-UHFFFAOYSA-N	232.367	4.601	0	10	BJAE	
CC(C)c1ccccc1NC1CCC(F)CC1	2250124022	LYRLBLPOTZDBQZ-UHFFFAOYSA-N	235.346	4.503	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)c1ccc(C2CCC2)s1	2250277517	VBWPXCYXYUSDAS-LLVKDONJSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)C1CCCCCC1	2250353318	TXOJHSWMQBKZFJ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc(C2CC2)cc1	2250354446	DEWABOVEFUUJCR-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
C(CCC[C@@H]1CCCCNCC1)CCC1CC1	2250499819	CTZHTUICFMCVCF-OAHLLOKOSA-N	237.431	4.517	0	10	BJAE	
CC[C@H](C)C[C@H](N)CC1CC(CC(C)(C)C)C1	2251491695	IFYBJLZSFXJNQM-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
CC1CC(C)(CC(=O)[C@@]23CCCC[C@@H]2CCC3)C1	2253762200	DOGYKNYRRODTKE-VVBDHPJYSA-N	248.410	4.742	0	10	BJAE	
O[C@H](C=C1CCCCC1)C[C@H]1CCCCC12CC2	2253783413	MXRJHLLGXHUGHC-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CC1CC(C)(C[C@H](N)C[C@@H]2CCCCC23CC3)C1	2253806516	HNENZDSCMXDNOT-PWUWZPNHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)c1occc1C	2255061782	FJJVPROUMKJWRF-OAHLLOKOSA-N	247.382	4.519	0	10	BJAE	
N[C@@H](C[C@H]1CCCC12CC2)C1=CCCCCCC1	2255240760	ZOQLHOSCHZLNMN-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
O[C@H](CC[C@H]1CCCC12CC2)CC1=CCCCC1	2255277005	WZVRNQUXYJNENV-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@](O)(CC)Cc1ccc(CCC)cc1	2256251890	JOHRKIDCJWVYPT-QGZVFWFLSA-N	248.410	4.513	0	10	BJAE	
CCCc1ccc([C@@H](O)C2=CCCCCC2)cc1	2256319214	YWOUNFBKSJQVMK-KRWDZBQOSA-N	244.378	4.563	0	10	BJAE	
CC(C)c1ccccc1NC1C[C@H]2C=C[C@H](C1)C2	2257936967	LFRCWCVSJLLNIN-KBPBESRZSA-N	241.378	4.577	0	10	BJAE	
CCc1ccc(CC)c(NC2CCC=CCC2)c1	2257938554	JFWRXVSDBYIFMO-UHFFFAOYSA-N	243.394	4.722	0	10	BJAE	
Cc1cc(NC[C@@H]2CCC[C@@H](C)C2)cc(C)c1C	2258234770	DSEHKPJTYHBIOR-MLGOLLRUSA-N	245.410	4.850	0	10	BJAE	
Cc1cc(NC2C[C@H]3CCC[C@@H]3C2)cc(C)c1C	2258237043	MIAREEVPYLTNTG-HUUCEWRRSA-N	243.394	4.602	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cc2cc(C)ccc2o1	2259434303	AINQIXYLSWPSMV-BLLLJJGKSA-N	246.350	4.601	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@@]12CCC[C@H]1CC2	2260587395	MQEIONXSDPIMPF-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@]12CCCC[C@H]1CC2)C1CCC1	2260644929	DWFNJZAOHFDXDA-UAGQMJEPSA-N	249.442	4.645	0	10	BJAE	
CC(=O)CC(C)(C)c1cccc(C2CCCC2)c1	2260729249	CUGQPXPJKLRHSA-UHFFFAOYSA-N	244.378	4.601	0	10	BJAE	
CC(C)(C)CCCNc1ccnc(C(C)(C)C)c1	2260742458	LVQATZCGUNGWNU-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
CCCCC[C@@](N)(c1ccccc1)C1CCCC1	2263786288	LWURXMOEPZYNQM-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)CCCC(C)C	2298841191	AEFGKFSLSCCNIQ-CYBMUJFWSA-N	237.362	4.761	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@](C)(CC)C(F)F	2299825378	LSMUCOUGCTWYSS-GXTWGEPZSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCCC12CCC2	2300681532	PQJKZENDVAXDMI-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CC[C@H]1CCC(CC)CC	2300686530	RUZYPJOBZSKHBZ-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CC(=CCN[C@@H](C)CC(C)C)CCCC(C)C	2300864562	CBADVYVADOZCCU-INIZCTEOSA-N	239.447	4.783	0	10	BJAE	
CC(=CCC(C)(C)C[C@@H](C)N)CCCC(C)C	2300886767	AGLSMSJKJRWVAX-OAHLLOKOSA-N	239.447	4.913	0	10	BJAE	
CCC(C)=CC[C@H](O)c1cccc2ccsc12	2300909560	PJMMVCDCLFVJPO-AWEZNQCLSA-N	246.375	4.681	0	10	BJAE	
CC(C)NCCC(C)(C)CC1CCCCCC1	2301186694	UQQLKOMDXPUHKS-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C[C@H](C)[C@@H](C)C(C)C)NCCC	2301833812	ULMUFSLCUOLOPK-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)CNCCCC1=CCCCC1	2302310045	SXMXSGXYRSMHQK-HNNXBMFYSA-N	237.431	4.683	0	10	BJAE	
O=C(CCCCC1CC1)c1sccc1C1CC1	2302570752	CKDFPBKFMCCTNH-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@H]1C)C(C)=C(C)C	2302607673	APUCYIVGTVBVAK-VNQPRFMTSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CN[C@H](C)CC)C[C@@H]1CCC(C)(C)C1	2302715249	DQOKSZNWAZFJFO-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CC[C@H]1C(C)(C)C	2303375943	NMKZXTVNSPCDKG-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303509039	VBZVGNKDZMHWIR-MELADBBJSA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCCCC(=O)C2)CC1	2303603051	ZGKXFVSRMNEWFW-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC[C@@H]1C[C@H]1CC	2303608992	AGLADPDPWASSIA-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@](C)(O)CCC2CC2)C1	2304384856	QOINGRPKVITWHJ-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(CNC)C1CCCC1	2307841195	INKPDANUHRSODI-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	2308262551	XGRWCDJMHRGXLR-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCC[C@@H]2CC[C@H]12	2309525843	ZYWPKSNCQBXPQO-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H](CC)c1ccccc1	2316247140	AXFXNXKSELPRJX-IRXDYDNUSA-N	248.410	4.758	0	10	BJAE	
CCC(CC)CC=C1[C@@H](CN)CCCC12CCC2	2316250555	JMBBHFBQEJOBBR-OAHLLOKOSA-N	249.442	4.668	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@]1(C)C=CCCC1	2316501651	HUEZKOSGAKABRB-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1C[C@H]2CCC[C@@H]2C1	2316883962	FDGGTASDLSLSMT-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@H]1C)CC1=CCCC1	2318944437	QDDLYYGDYOPNKD-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H]2CC[C@H]2C(C)(C)C)CC1	2320209797	VRYRYEXNPNDCOK-MIGQKNRLSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@@H]1CCC2(CC2)C1	2320234023	FBDBVVRGFNEHKO-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@@H](N)[C@@]1(C)C=CCCC1	2320255948	XULDDIBYXKAZRE-ANQUJSFKSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](CC2(N)C[C@H](C)C[C@@H](C)C2)CC1	2320329773	VDWVRKFMQRPMJM-XJKCOSOUSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(O)CCCC(C)=C2C)CC1	2320336580	HBSNNJPZCDSBIM-IAGOWNOFSA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@@H](CNCC(C)(C)C2CCC2)CC1	2320415423	AFUIJAVOIRWLFV-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](C=C1CCCC1)c1cccc(C(C)C)c1	2320518388	PZPCUAYEZDYWSY-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC(C)CCCC(=O)Cc1cccc(C(C)C)c1	2320664306	KURLIELATKWXLF-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
CN(CC[C@H]1CCC(C)(C)C1)CC1=CCCCC1	2321607075	BYUSYUPKCFPSKV-OAHLLOKOSA-N	249.442	4.635	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](N)c1cc(C)ccc1C(C)C	2327706652	BVFNPLLYNPTTEC-KMFMINBZSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cc(C)ccc1OC	19232542	ZSOYMVQGHGCCKT-TZMCWYRMSA-N	249.398	4.630	0	10	BJAE	
CC[C@H](Nc1cc(F)ccc1C)c1cccs1	20024226	WSVNYNRSXZDBEK-LBPRGKRZSA-N	249.354	4.759	0	10	BJAE	
CCCCCN[C@H](C)c1cccc2ccccc12	21504822	RPRQOGHHHLRUBK-CQSZACIVSA-N	241.378	4.681	0	10	BJAE	
CCC[C@H](C)CN[C@@H](C)c1cc2ccccc2o1	37070830	BIKVPBSXZFXNQV-STQMWFEESA-N	245.366	4.520	0	10	BJAE	
CCc1ccc([C@@H](C)Nc2cccc(C)c2)s1	41202197	KRBCOZDBPIWXFA-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CCC(CC)[C@@H](C)NC1CCCCCCC1	84733533	FOAOYPMLSHMWNW-CYBMUJFWSA-N	225.420	4.514	0	10	BJAE	
c1ccc2c(c1)C[C@H](c1ccc3ccccc3c1)N2	86666162	XCWORQGWTXSNSQ-GOSISDBHSA-N	245.325	4.549	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](Nc2ccc(O)cc2)CC1	86943109	CVFYDBADTIVAGU-ZIAGYGMSSA-N	247.382	4.553	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H](CC)C(C)C)CC1	86945215	FFZMKNLTUPURAZ-PMPSAXMXSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@@H](O)c1ccccc1C1CC1	94528531	BVIFMZSWGUCTRR-MRXNPFEDSA-N	232.367	4.568	0	10	BJAE	
O=C(CCCCCc1ccccc1)C1CCCC1	122117995	PDVYINQTQKVXNF-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CCC1([C@H](NC)c2cccc(C)c2C)CCCC1	163510211	VUVQOEJXLCLCBD-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1cccc(C)c1C	165757920	DVWXLACWUXHWAY-ZBFHGGJFSA-N	244.378	4.703	0	10	BJAE	
CCCCCCc1ccc([C@H]2CCC(=O)C2)cc1	214799333	BBTKKBPZGQVUJW-INIZCTEOSA-N	244.378	4.646	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	216562160	QMADIGPCDWCJNR-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCC[C@@H](CC)C2)C1	221505212	XLGNEUAVUMGGKN-KLHDSHLOSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@](C)(O)[C@@H]1CCC[C@@H](CC)C1	226855163	WTJOVFBTNINUET-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC1CCCCC1	229229058	GKDQAQPESVUWKQ-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccc(Cl)cc1C	233328377	YZLIUQHUUJKTHY-JTQLQIEISA-N	238.758	4.657	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@H]1C(C)(C)C)c1ccoc1	251227051	AHZGPYOVCHDRCD-CFVMTHIKSA-N	249.398	4.535	0	10	BJAE	
C[C@H](CC[C@H]1CCc2ccccc2N1)C(C)(C)C	302515240	ZTDZKDACIBQBMP-HIFRSBDPSA-N	245.410	4.876	0	10	BJAE	
CC(C)[C@@H](CCC1CCCC1)CNC(C)(C)C	305905673	CQNACJZXFUHRSN-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCc1sc2c(SC)cccc2c1Cl	306937898	MASYEUPHPMCUJK-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1c(Cl)c(Cl)cc2sccc12	307036868	ZIKAIIXWBSKSQA-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CSc1cc2cc(S)cc(Cl)c2s1	307039026	GVKBBYHPEFOQSP-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Cc1ccc(C(F)F)c2c(Cl)csc12	307112321	PLQSYZJRUIMAQP-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)c1ccccc1CC	308008459	GUMMTMBROWPRNR-RDJZCZTQSA-N	248.410	4.745	0	10	BJAE	
CCCCCCC(=O)[C@H](CC)CC(C)C	308055182	MMFMLJNEJQRSLU-CYBMUJFWSA-N	212.377	4.598	0	10	BJAE	
CCCCc1ccc(NC/C(C)=C\Cl)cc1	309129598	NFUMJYHVLWWQSI-BENRWUELSA-N	237.774	4.584	0	10	BJAE	
C[C@H]1C[C@@H](C2CCCCC2)Nc2ccccc21	310214098	VORZUOYFKMNOMC-LRDDRELGSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@H](C)C(C)C)cc1	310462836	FSTBOSDHVJOFLC-KGLIPLIRSA-N	233.399	4.904	0	10	BJAE	
Cc1cc(C)c([C@H](N)C(C)(C)C(C)(C)C)c(C)c1	310782805	FTLGMKZSXLBFGP-HNNXBMFYSA-N	247.426	4.684	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)c1ccccc1C(C)C	310809619	GBHOKAUUQWLLDW-GJZGRUSLSA-N	247.426	4.692	0	10	BJAE	
CC(C)/C(=C\C1CCC(C)(C)CC1)CNC1CC1	311053149	XOQHTFHVAGGLSZ-PTNGSMBKSA-N	249.442	4.537	0	10	BJAE	
CCCCCCN[C@H]1CCCC12CCCCC2	313041116	PZEDJZWLTMODLP-HNNXBMFYSA-N	237.431	4.659	0	10	BJAE	
Cc1ccc([C@H](C)NCCCC(C)(C)C)c(C)c1	313261897	KFNVAGDGZHGLIQ-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(O)CCCC12CCCCC2	319613396	XQIVTASKGBRKOY-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)CCCC[C@H]1C(C)(C)C	319750456	XJIBUVCVUHUBLA-RZLSGREXSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC)C(C)(C)C1CCC1	322621861	PGYXGPGKOHZNII-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](CCC(C)(C)C)NC)CC1	328368506	VJTATWPEDJIAHL-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(N[C@H]2C=CCCCCC2)cc1C	380632772	QAYJGQSCVCIYFD-INIZCTEOSA-N	243.394	4.858	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)CC1(C)CCCC1	383624062	VWUVLVFVBHWVRD-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N[C@@H](C)CC(C)(C)C)cc1C	384794071	RNKAXAVXVRHNGY-ZDUSSCGKSA-N	219.372	4.540	0	10	BJAE	
Cc1cscc1N[C@H]1C[C@H](C)CC(C)(C)C1	387312150	LJDQFLWNYHOLPG-JQWIXIFHSA-N	237.412	4.683	0	10	BJAE	
Cc1cscc1NCc1ccc(C(C)C)cc1	387375669	XKYLHPAYFTVHCJ-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CNC/C(=C\[C@@H]1CCCC[C@H]1C)C1CCCCC1	394786623	JSTCBDATMGWGSX-QBGPEFOPSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1ccccc1CCC	394988084	CXHRVLOECMQKAQ-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCc1ccc2c(CC)csc2c1C(F)F	396169449	QMXJOPDUVOKBNP-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCOc1c(C(F)F)ccc2sc(C)cc12	396235290	GCDBTSDYASPIDI-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
C[C@H](C(=O)c1ccc(C2CCC2)cc1)C(C)(C)C	399113062	BGJFJJINYUSJIY-GFCCVEGCSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CCC[C@H]1Nc1ccc2c(c1)CCCC2	404631544	HAIIFSOLHDAIMJ-MRXNPFEDSA-N	243.394	4.556	0	10	BJAE	
CC(C)C1(CNc2ccc3sccc3c2)CC1	687534306	JZTFYONCJKDCRL-UHFFFAOYSA-N	245.391	4.749	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1C[C@H]1c1ccccc1	688963618	IOSKOHVJNKQVII-GJZGRUSLSA-N	244.378	4.576	0	10	BJAE	
C[C@@H](CC1CCCC1)Nc1ccc(C2CC2)cc1	690136565	ZUSNXHFSEABMEZ-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
Cc1cc(N[C@H](C)C2(C)CC2)cc(C)c1Cl	690259287	RHTSYNDINQXICK-LLVKDONJSA-N	237.774	4.557	0	10	BJAE	
CCNCC1(CC2CCC(C)(C)CC2)CC=CC1	690503197	WGCPBYYPQSGTNT-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCCCC[C@H]2C)c1	691068974	COSGDOUHSGARQD-GDBMZVCRSA-N	231.383	4.684	0	10	BJAE	
CCC1CCC([C@@]2(O)CCCCC[C@H]2C)CC1	691183047	FWVBWOZPLITEIM-PRLABOORSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)CC1CC=CC1	692060847	QETDCKNIINDCGR-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@@]12CCC[C@@H]1C2	693142201	BVAQUQCNLZFAII-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](NCCCC2CCCCC2)C1	694053684	PFTYWYHKZJRJFU-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCC1([C@H](CCC(C)(C)CC)NCC)CC1	696552009	VTSWBIHSWXTJIR-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N	701150706	YPYIPGXLSJFGBG-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1cccc(-c2ccc(Cl)c(N)c2)c1	701545324	FCIVCQBHZJMODI-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NCC2=CCCC2)cc1	702323216	HJWGRGWGLBULOP-CQSZACIVSA-N	243.394	4.571	0	10	BJAE	
CC(=O)c1ccc(S[C@@H]2CCCC[C@H]2C)cc1	704910750	VYPRUZLTMUVYCB-IAQYHMDHSA-N	248.391	4.560	0	10	BJAE	
CCCCCC[C@]1(N)CCCCC[C@H]1CC	704951944	OKQUDCUEBVRHQU-CABCVRRESA-N	225.420	4.645	0	10	BJAE	
CC(C)(C)CCC[C@@]1(N)CCC12CCCCC2	705250729	FQUYIZRHPGOXGT-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H](C)[C@]1(N)CCCCC12CCCC2	707758317	VXTZWWAVGJWKDW-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c([C@H](N)[C@@H](C)CC(C)(C)C)cc1C	708255482	AUUJCLCNNAGLGW-GOEBONIOSA-N	247.426	4.684	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C(C)C)[C@H](C)CC(C)(C)C	708318988	QVUWLIJNIIVSKB-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
Cc1ccccc1[C@H](C)NC[C@@H](C)CC(C)(C)C	709186849	JGLMYKAFLGTFFS-ZFWWWQNUSA-N	247.426	4.718	0	10	BJAE	
CCC1CCC([C@H](N)C2CCC3(CC2)CC3)CC1	709977947	POUCAUJQIHGXOE-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1csc(C)c1	710753966	CHZMUAYMMSLDMP-QWHCGFSZSA-N	237.412	4.685	0	10	BJAE	
CC[C@@H](C[C@H](O)c1ccsc1C)C(C)(C)C	711182512	XUXGNANQLRIVKI-AAEUAGOBSA-N	240.412	4.552	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]2CCCC[C@@H]21)C1CCCCCC1	712459233	XDTJGDRCUPMNEI-HJWJTTGWSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](CCC(C)(C)C2CC2)C(=O)C1	717452802	DNEQEBGKDITLRD-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)N[C@@H]1CC(C)(C)CC[C@@H]1C	717531521	INRUTHNMKSTVEX-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
CNCC1(C[C@@H]2CCC[C@@H](C)C2)CCC=CCC1	718119663	OJYHVNPYHIKVPL-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C(C)CCCc1ccccc1F	718773363	NNBJTUCBZXHHBD-UHFFFAOYSA-N	206.304	4.505	0	10	BJAE	
CCC1(CC)NCC[C@H]1CC1CCCCCC1	721782469	WBIUIMQIESHCNN-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCC1(NCC[C@@H]2CCC[C@H](C)C2)CC1	1308141924	FFQXWPUYHGYVOB-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](NC[C@@H]1C(C)=CCC[C@@H]1C)C1CCC1	1462342291	LSLVFNHRONZOFU-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1cc(F)cc(Cl)c1	1901713146	ZSGNQVMSVCJXNG-ZJUUUORDSA-N	243.753	4.572	0	10	BJAE	
FC(F)CCc1ccc(C2CCCC2)cc1	1901916421	ZMQSFUSFORMVEC-UHFFFAOYSA-N	224.294	4.542	0	10	BJAE	
CCC(C)(C)C(=O)CCCC1=CCCCC1	1901969624	BCOAWBAAZPOTDR-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@H]1CCCC(C)(C)C1	1911268472	LQDLHGXPAKEAHG-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC=CCN[C@@H](CCCCC)c1ccccc1	1911864489	JQTLKFNSTQSTGK-KRWDZBQOSA-N	245.410	4.864	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)C1CC2(CCCCC2)C1	1912725563	CTJYNFJRHHZOPW-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(N)CCCC(C)C	1920201172	GCCVCVJEOAHXDS-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
CCC(C)(C)CCC1(N)C[C@H]2CCC[C@@H](C2)C1	1923453827	CAOAVBAYYMCIFV-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@](C)(CC(C)C)C1CCCCC1	1924112459	XOABQPNZVCLQQL-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)C(C)(C)C1CC1	1941135687	JVVXQFXDCKIDCC-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@H](CC)C(C)C	1941273591	SNXHWFCDTRVECL-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)NC1CC2(CCCCC2)C1	1941794971	DOEPGJSFRWDEOU-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](NC)C(C)(C)C1CCCC1	1944642971	ZNHQBZSRNCPDID-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C[C@@H]1CC1(C)C	1944748346	ZEFYRJWPCLKXBA-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@@H]1CCC[C@H]1C)C(C)C	1944783797	JEPKOKLKYJJEAB-ILXRZTDVSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCC[C@@H]1CCC	1947465136	UHCORJLYULTMPA-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CC[C@@H](C)[C@@H]1C(C)C	1947525117	OGDXFPJXYFDXPR-PMPSAXMXSA-N	238.415	4.556	0	10	BJAE	
CCCCCC[C@H](C[C@H]1C=CCCC1)NCC	1947590827	ZGVZUYYBGMEQEP-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(N[C@H](C)c2ccco2)c(C)cc1Cl	1948810561	ZARVRAHHXLGIIT-LLVKDONJSA-N	249.741	4.723	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)C1=CCCCCCC1	1948949179	FGGYIZLPHBFGFY-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
CCC1(C[C@]2(N)CCCC(C)(C)CC2)CCC1	1948981301	PGVDOLFZSJOAEN-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC[C@](C)(N)[C@@H]1CCC2(CCCC2)C1	1949402807	MROHWWBOGREBKR-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](O)CC2CCCCC2)C1	1949915803	IYLVVPYPWQBDFA-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CC[C@H]3CCCC[C@H]32)C1	1965989197	UYBXEMONNGORLX-FVQBIDKESA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCC[C@H](C)C2)cc1	1968259455	INKRUKMQJRQPBQ-GJZGRUSLSA-N	231.383	4.623	0	10	BJAE	
CCc1ccc(OC[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1	1968345880	GHKPBAZQPQUGFU-FOLVSLTJSA-N	246.394	4.700	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1CCCC(C)(C)C1	1968351902	OWQNUDYNRBVVFM-OAHLLOKOSA-N	245.410	4.932	0	10	BJAE	
C[C@H]1CC[C@H](CNc2cccc(C3(C)CC3)c2)C1	1973398760	UFCKYVCNPCCOQE-KBPBESRZSA-N	243.394	4.586	0	10	BJAE	
C[C@H](Nc1ccsc1)C1CCC(C)(C)CC1	1975980298	UFIDLWBUQWOCIE-NSHDSACASA-N	237.412	4.765	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1C=CCCC1	1977151537	BUHZWPCFDPJULQ-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)C1(C)CCCC1	1987597790	BXVRWCUBHIRKAC-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@H](O)CC)CC1	1989811013	YYUACBPEJKHOPD-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](CC(C)(C)CC(C)=O)CC1	1989838359	FATUGNDPTCBHQS-HDJSIYSDSA-N	224.388	4.598	0	10	BJAE	
CCCCN(CCCC)[C@@H](C)CCC(C)C	1990893573	LZDBLXRLCIVIAH-HNNXBMFYSA-N	227.436	4.713	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCC(C)(C)C1=O	1991640303	DFVXQXFHTPBMEQ-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1C[C@H]1CCC	1993000253	RTXKDLZFIYPXAN-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)c2cc(C)c(C)s2)CC1	1995709712	GOOHLPUHBIGFEB-SWLSCSKDSA-N	249.423	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)C1(C)CCCCC1	1995986044	MIIOSNHBOQTHQX-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@H]1CC=CCC1	1997555082	XJKLCIYFJNXYMR-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1CCCC(C)(C)C1)C(C)C	2000175392	CAKRTGRNPUWFAI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)C)C1(C)CCCCCC1	2000371979	KBZVDMCIKWGPEY-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@H]1C=CCC1	2000379903	QKCVKIKZZQYRAR-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCNCC(CC)(CC)CC1CC(C)(C)C1	2000500086	QNHINLOGCVWGJC-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CNCC(C)C)[C@@H](C)CCC	2000523080	LRPQCKGVMGTZIY-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCCCCN(CC1CCC=CCC1)C(C)C	2000906420	IPMIJCVJHYEXGB-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@]1(C)CCCC1(F)F	2002584076	WUWVNMKJNSAPSY-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@@]1(C)CCCCC1(F)F	2002596772	UFEQHVXSZUIOPQ-DGCLKSJQSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](C)C[C@](C)(N)C1CCC(C(C)C)CC1	2002926828	WBNZTEDAEHNBLV-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)CC(C)C)CC1	2003067301	QLZGXCKLKKCRDO-SHTZXODSSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1(C)CCCCC1	2004232772	HFQZZAWVSDMROG-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H]2CC2(C)C)CC1	2004346170	JQUDZIWISMWZPK-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC[C@@]1(C)CCc2[nH]c3c(Cl)cccc3c2C1	2004347336	TYQXPMCUELFBCI-HNNXBMFYSA-N	247.769	4.726	0	10	BJAE	
CC(C)CCC[C@@H](O)[C@@H]1CCCCC12CCC2	2005600856	OTBYDIWAZPGGRL-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)C1(C)CCC(C)(C)CC1	2007696764	NAGWUGUCSGFPQS-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C[C@@H]1CCC(C)(C)CCC1=O)C(C)(C)C	2009404902	SHLBSUPAJTXBFZ-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC=CCCCC(=O)C1(C)CCC2(CC2)CC1	2009569161	MBZMLEWJGSAHST-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
C/C=C/CCCCc1cccc(C(F)(F)F)c1	2009591022	ICXYGPKTUTZRTN-NSCUHMNNSA-N	242.284	4.994	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H](CCC)CC(C)C	2009619481	LUQCKNBIPVJPDM-OHOWAWRESA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC[C@@]12CCC[C@H]1C2	2010983111	SJVCOCYBPGQJCG-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)CCC[C@H]1C[C@H]1C)CC(C)(C)C	2011572138	PCTUOYIKYIQSQW-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)(CC)NCC12CCC(CC1)CC2	2012810016	LFUYJDXBFWRNBW-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC1(C(=O)c2sccc2C2CC2)CC1	2015742495	MJPXHZRCEWWPCG-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCCC1CCC(CCC[C@H](O)C(C)C)CC1	2017717361	YSDYQLNGPBZHEM-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(CC[C@H](CCC)NC)CC1	2017731820	VZTNGKUUHPTJPX-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccc(N[C@@H](C)C(C)(C)CC)cc1	2017745754	DSZGLEAKVNDRCN-ZDUSSCGKSA-N	233.399	4.876	0	10	BJAE	
CCCC[C@@](CC)(CC1(CCC)CC1)C(=O)O	2018962258	HUBIRLQBQUZTRB-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CCCC1(C[C@]2(N)C[C@@H](C)CC(C)(C)C2)CC1	2019003484	YOXAAEUHWHEYKW-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)CN(C)CC1CCC(C)CC1	2019162274	VFGZIASBSSWDAQ-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN(C)CCCC(C)(C)C)C1	2019325545	LYCAKKQYAOEFSC-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@@H]1CC=CCC1	2019359579	KHHWZIUVJMFMPS-HZPDHXFCSA-N	237.431	4.633	0	10	BJAE	
CC[C@H](C)CN(CC(C)C)C1CCCCCC1	2020500547	DJYQTGALTIQFRA-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCCN(C1CCCC1)[C@H]1C=CCCCC1	2020534531	SAIDQGJIFQJNIY-HNNXBMFYSA-N	235.415	4.530	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H](CC(C)C)C(C)C	2020975031	WYAVAILROVNBCY-HOTGVXAUSA-N	239.447	4.639	0	10	BJAE	
CCC1CC(CC(=O)CCC(C)(C)C2CC2)C1	2025433901	VQDIIVYMDCYDOD-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C)C[C@@H](C)CCC=Cc1ccccc1	2026895537	OLNHQEDTODVDDH-HOTGVXAUSA-N	245.410	4.504	0	10	BJAE	
CC1(C[C@]2(N)CCC[C@@H](C3CC3)C2)CCCCC1	2027306472	LDUUFFTXCJEKGR-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C1=CCCC1)c1ccccc1C(C)C	2027517343	GDEJYKJYZMULKN-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC1(CCCN[C@H](C2CCCCC2)C2CC2)CC1	2027843918	UZQFPAKSKQFAIA-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)CC(C1CC1)C1CC1	2027855664	QKUFURSSQIYXPL-CQSZACIVSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C(=O)[C@@H](CC(C)C)C(C)C)c1C	2028254991	MAWIIOOJFYKMJX-INIZCTEOSA-N	246.394	4.804	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1cccc(C2CC2)c1	2028553402	YZAYHHDTVIPNBE-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)c1ccc(C2CC2)cc1	2029070800	QGYKGJZGSKWEDX-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
Cc1cccc(CCC(=O)[C@@H](C)CCC(C)C)c1	2029835495	GWSUOFWXMKOGTL-HNNXBMFYSA-N	246.394	4.569	0	10	BJAE	
C[C@H]1CC(C[C@@H](C)c2ccc(N)cc2)C[C@H](C)C1	2031800892	IUAKVYXMGIJMOY-MGPQQGTHSA-N	245.410	4.835	0	10	BJAE	
C[C@H](NC[C@]12CCCC[C@@H]1CCC2)C1CCCC1	2031809036	OSNPJSUOLTVIFN-USXIJHARSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@]1(CC2=CCCC2)CCCC1(C)C	2032107823	ANKDZZZPNWVTEE-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CCC(C)(C)C1	2033393761	JFTHTXYLIGOBHL-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@@H]1CCC(C)(C)C1	2033402474	PXWIAJIWPGNTGR-CJNGLKHVSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CCc2cc(C3C(C)(C)C3(C)C)ccc2N1	2034040574	XLFSKSAUSFQQKC-LLVKDONJSA-N	243.394	4.583	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CC[C@H]2CCCC[C@@H]21	2034264612	RGBHDTOGLADWDI-IVMMDQJWSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCC12CCC2)C1CCCC1	2035889175	CSMSJSKCTRRGIS-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N(C)C[C@H]1C=CCCCC1	2036778105	CDJMFKPSXNHWFZ-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)CC1CC2(CCC2)C1	2037969996	MYXOFOHXZYQXGU-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@]1(CC2CC3(CCC3)C2)CCCCCN1	2038077630	ATXGUYHNKGYMIE-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@]2(CN)CC23CCCCC3)C1	2039000430	SBPFVUVXELTIGR-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CCc1ccc(N[C@H](C)C2CC(C)(C)C2)cc1C	2043544921	UUXXBERLVVZGIQ-CYBMUJFWSA-N	245.410	4.794	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1CCC2(CCC2)C1	2043605922	FRCALSFJJUTFGZ-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N(C[C@H]2CCC=CCCC2)C1	2045314104	GWKOYVPTHGUWPW-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@@H]1C1(N)CCC2(CCCCC2)CC1	2045672933	ZHDRSOBZBDQKPY-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](C=Cc1ccccc1)NC	2045729090	ARRHWDJCAWXFTR-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCCCCC[C@@H]21)C1CCCC1	2047438265	RMSREHKIWDCUTR-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H]1CCC12CCC2	2047929895	UKNJNLJVYGZJAE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C(=O)CC2[C@H]3CCCCC[C@H]23)CC1	2048465792	OHDXJOHTMHOVMY-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CC1CCC2(CC1)CC2	2049857252	MTMOLMHHEQPIEQ-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@]2(C)C=CCCC2)c1	2050010139	QQVQAYOEZRHDKB-IAGOWNOFSA-N	243.394	4.556	0	10	BJAE	
Cc1ccc([C@@H](O)CC[C@H](C)CC(C)(C)C)cc1	2050426080	MNJYARJCGCUUKT-HOCLYGCPSA-N	248.410	4.881	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H](N)c2ccc(C)cc2)C1	2050427810	TUDWITQPNMTKOJ-INMHGKMJSA-N	245.410	4.601	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cnccc1C(C)C	2053853430	IRTCBAYJATVNRW-CQSZACIVSA-N	248.414	4.976	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@H]1CCCC(C)=C1C	2055551030	WAQKZUTYEBBZQI-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@@](N)(CC2CCC3(CC2)CC3)CCC1	2055608106	PKRQHXHQOJERAO-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCNCC1(CCC2CCC2)CCC2(CC2)CC1	2056557161	QPURXMBSRVOQIF-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC1CC(C2CCC2)C1	2056650973	MBSDDJVIXFKNNX-BNICSPFPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H]1CC[C@H](CC)C1	2056875323	FUJQNHMJRNLNPF-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@](N)(C=C1CCCCC1)c1ccccc1	2056917655	UBHKHGAPIMVRNO-KRWDZBQOSA-N	243.394	4.531	0	10	BJAE	
CCC1(C)CC(Nc2cccc3ccccc23)C1	2058829519	KEPPLNMBJJKWBG-UHFFFAOYSA-N	239.362	4.830	0	10	BJAE	
CC=CCCC[C@H](N)c1ccccc1C1CCC1	2059225617	PAAQGFCLBHWHIO-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CC[C@@H]1CC=C(C[C@@H](O)c2cccc(C)c2)CC1	2061099379	OUGVOFXXZDNJFW-RHSMWYFYSA-N	244.378	4.555	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCCC(C)(C)CC2)CC1	2061112276	DTFMPIDARYSTTC-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
C[C@](N)(CC1CCCCC1)CC1CC(=C2CC2)C1	2061671612	IKDZDLQKDSLSNR-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCc1ccc(N[C@H](CC)c2occc2C)cc1	2063671441	KOMZFUPOPPIOMI-OAHLLOKOSA-N	243.350	4.714	0	10	BJAE	
CCCC[C@@H](CC)CNC1CC2(C1)CC21CCC1	2064122092	KLZTZIPJGHAHQR-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)[C@H]1CCC2(CCCC2)C1	2068268523	WEOXETGXQPVBMQ-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068711729	WNTSXVOYFQNMTG-ZTPJQAPRSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2C[C@@H]3CC[C@@H]3C2)c1	2068757807	KWXSDCLSWTZGFZ-MKZZRHPPSA-N	243.394	4.658	0	10	BJAE	
CCN[C@H](CCC[C@H](C)C(C)C)c1ccccc1	2069009241	IZEPQOMZZHCUIV-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
CCCC1(C[C@H](N)C2CC(=C3CCC3)C2)CCC1	2069342369	NXVJQXJQXWXBAY-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CCCC1(C[C@H](C[C@]23CCC[C@H]2C3)NC)CCC1	2069343401	ZJEYCDGIRBPDJW-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1([C@@H](N)[C@@H]2CCC3(CCCC3)C2)CC1	2069515924	TYTRIYUIEOKRKV-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC1CCC(C(C)(C)C)CC1)C1CC=CC1	2070822483	WSRIPJSMGCVXPV-JEYLPNPQSA-N	249.442	4.536	0	10	BJAE	
CC(C)(C(=O)C[C@@]12CCC[C@@H]1C2)C1CCCCC1	2070959682	RDOJJJQVQIKSFB-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2CC[C@@H]3C[C@@H]23)cc1	2071223773	IMLHDYXOFZAIQH-PWXKEOIMSA-N	244.378	4.625	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@]2(C)CC=CCC2)CCC1	2071922624	UCYZSPCFASUIJH-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1C[C@H]2CCCC[C@@H]21	2072423688	HZKZEWMRFSVNNC-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(CC2=C[C@H](N)C[C@@H](C)C2)CC1	2072813671	VSTYBQDAJXSUQU-PBMMVSLJSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(CC(=O)c2cc(C)c(C)o2)CC1	2072882425	WMSKNKLWGZCOIJ-UHFFFAOYSA-N	248.366	4.686	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C[C@@]2(C)C=CCCC2)C1	2074890762	CDJBFWJORARAIR-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)C1CCC1)c1ccco1	2075809771	BIDUXFCMFZVDBT-UKRRQHHQSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2CC3CCC2CC3)C1=O	2076448706	ADLGDXITOBLVOZ-PFSRBDOWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](C[C@H]1CCC=CCCC1)NC	2079441269	WJESRHVBFUPMFL-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
C1CCC(NC[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079447036	NFQIKVYHORRVQA-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@H]1C[C@@H]1C(C)(C)C	2079849956	BULSEEHKSCWJKB-ZFWWWQNUSA-N	244.378	4.640	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)[C@@]2(C)CC=CCC2)C1	2082977818	BOXYSYDWIPAUCP-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CCCNC23CCCC3)CC1	2083810576	LUOZTTOQZPBQJY-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CN[C@H](C)CC)CC(C)(C)CC	2212591113	ZEHAVFMGLHRWFP-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CCCCCCC1CC1	2213572965	BXPOKJRWQANMEC-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
C[C@H](CCCCCCC1CC1)[C@@H]1CC[C@@H](N)C1	2213576739	UFJTYDKPWXCXSL-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCC[C@@H](N)C1CCCCC1	2214768855	VLFNGKXBNXZRRY-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@H]1CNC1CCCCCCCCC1	2215033800	OCDIBCXKLXGCFW-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC1(CN)CCCCCCC1	2215254231	SFOXVAZTIYGLIG-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1C[C@H]1CCOc1ccc(C(C)C)cc1	2215346255	OYWJMUKZOXOROS-UKRRQHHQSA-N	232.367	4.625	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@]1(C)CC=C(C)CC1	2215821144	LKMWVPPJYPMCDO-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@]1(N)CCC[C@H](C(C)(C)C)C1	2216251269	DPJUYPXURGGMNZ-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H]([C@@H](C)[C@@H](C)CC)C(C)(C)CCC	2216280033	UVGMGPUBZTVWSL-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CC[C@](C)(O)CC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216765107	KVSRINGMZMHUSH-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](C)(CCCC(F)F)CN[C@H](C)CC	2217127882	IRETWDXCGMGSGV-OCCSQVGLSA-N	249.389	4.616	0	10	BJAE	
N[C@@H](CCC1C[C@H]2CCC[C@H](C1)C2)C1CCCC1	2218360508	CTLROLVIEFFMSG-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](N)(CCCCC2CC2)C1	2220040317	MBNHAQTYZCZGNW-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2220962615	QHKZQBTWZCGUCS-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CC2(C)CC3(CCC3)C2)C1	2221013414	JTNRRZKBDLLFFP-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@](C)(N)[C@@H]2CCC2(C)C)CC2(CCC2)C1	2221021805	AKQIUXNMYLOGMA-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CC=C(C)CC2)CC1	2221669216	VRDMWAGFGRBUSQ-OFLPRAFFSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CCCCC2)CC=CCC1	2223599499	WLWPXGTUTFFDAB-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H](C)c1ccc(C)cc1	2223968692	MIQZGGGBFZJFHG-NVXWUHKLSA-N	247.426	4.657	0	10	BJAE	
CCCC1(CN2[C@H]3CCCC[C@H]3C[C@H]2C)CCC1	2224085876	IBKARZRGCOVIKS-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)C(C)(C)C	2244838349	UVAASPCKOBQXRJ-CQSZACIVSA-N	227.436	4.569	0	10	BJAE	
CC1CC(C)(C[C@]2(O)CCCCCC2(C)C)C1	2246446992	HEZCLKCAYYVCDM-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@]1(C)CC=CCC1	2247174670	GYXBARFGEHVMEF-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CCCC[C@H]1C[C@@H]1C	2247176079	NAAVAIJXVZURIZ-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CC1(C[C@H](N)c2csc(C3CC3)c2)CCCC1	2248055818	NXGLFLAJLYPBKV-ZDUSSCGKSA-N	249.423	4.596	0	10	BJAE	
CCCC[C@H](CC[C@]12CCC[C@H]1CC2)NCC	2251191039	ZARZRBFFPXLKOQ-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)C[C@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251709769	ZGCLTGPJZCVDEY-UONOGXRCSA-N	238.415	4.556	0	10	BJAE	
FCCCCCCCCCCCNC1CCC1	2253275122	WJTUTTMKXLFNSP-UHFFFAOYSA-N	243.410	4.609	0	10	BJAE	
CC1CC(C)(C[C@@H](N)[C@H]2CCCCC23CCC3)C1	2253772618	PGQWJODIPWBJBR-LVDPKSTMSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1CCCC[C@H]1CC[C@@H]1CCCCC12CC2	2253821840	MCBSJJSWWHCOIA-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC=C(CC)[C@@H](C[C@@H]1CCCCC12CC2)NCC	2253823787	SAHMJUDELJRUPP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CCC12CCC2)C1CCCC1	2254959515	JAJJECJBBQLJEL-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1CCCC12CC2	2255339964	YDEPERDJCLGWJE-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](C)CCC=C(C)C	2256144277	LTWINNTVSWMKRF-ZDUSSCGKSA-N	249.373	4.935	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@]23CCC[C@H]2CC3)CC1	2260499999	HXZICYSSSVKOLM-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1(CNC[C@]23CCCC[C@H]2CC3)CCCCC1	2260528029	QGUQPGZXQQHNRW-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@]23CCC[C@H]2CC3)CC1	2260619219	IZPMKSBGJMUZKD-QBYUYEEZSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(NC[C@]23CCCC[C@@H]2CC3)cc1	2260629162	UNVOHFSOGLZFED-NVXWUHKLSA-N	243.394	4.631	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@@]12CCCC[C@@H]1CC2	2298709947	WFRAPBMJZLRSGB-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCC(CC)CC)c1ccco1	2300673690	LJDLRZLHVGDKDB-CQSZACIVSA-N	237.387	4.537	0	10	BJAE	
CCC(C)=CCC(=O)c1scc2c1CCCC2	2300872608	RATCRXVWTLQWHM-UHFFFAOYSA-N	248.391	4.556	0	10	BJAE	
CC=CC[C@@H](NCC)c1ccc2sccc2c1	2300882714	WZPFSOFZDTXESP-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
CC(C)C(C(C)C)[C@H](N)CC1CCCCCC1	2301134069	UEOLHKQAYYAPCI-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)CC1CCCCCC1	2301134155	VAGKYVYDMCHJCL-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@@](O)(CC2CCCCCC2)CC[C@H]1C	2301138790	ZZUSDFGQVZJACM-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
N[C@H]1CCCCCC[C@H]1CC1CCCCCC1	2301140198	MXZCSJREIVKJTH-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
CCCc1ccccc1N[C@H](C)[C@@H](C)C(C)C	2301961320	JPLRNECTDIBWPD-UONOGXRCSA-N	233.399	4.732	0	10	BJAE	
CCC(CC)c1ccc2c(c1)CCC(C)(C)O2	2302228982	NGENPVPRRICTFG-UHFFFAOYSA-N	232.367	4.694	0	10	BJAE	
CC[C@@](O)(CCCC1=CCCCC1)CC1CC1	2302362086	VEXMNTONZHXBCX-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](C[C@@](C)(N)C2CCCCC2)C1	2302751486	TZDXCLOSZQUWFZ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CCCC(C)(C)C2=O)C1	2302879043	WLISODKSPOYBDL-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C)CCC[C@H]1CCC(C)=C(C)C1	2303527756	VZTKAPLXXUVEFS-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)C(=O)CC[C@@H]1CCC(C)(C)C1	2304415067	FPSUWYINWMETKM-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(CO)C1CCCCC1	2307877436	LWKSIEUPXLIKRU-GOEBONIOSA-N	240.431	4.782	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309167443	YBCDFGILHMRCCG-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@H]2CC[C@@H]3C[C@H]23)cc1	2310923226	IMLHDYXOFZAIQH-MMTVNHQJSA-N	244.378	4.625	0	10	BJAE	
CCN[C@@H](C=C(C)C)[C@@H]1C[C@H]1C1CCCCCC1	2311536302	KQBXUHNJCDCSIU-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@]23CCCC[C@@H]2CC3)C1	2313353845	WFOTYXKCMWEYAI-NCOADZHNSA-N	249.442	4.645	0	10	BJAE	
CCC[C@](N)(C1CCC1)C(CC1CC1)CC1CC1	2313659600	GGQRZTJNPAKUAR-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@H](N)c1ccc(CC(C)C)cc1	2316501869	HYYFRDFVMSJLDJ-KRWDZBQOSA-N	245.410	4.631	0	10	BJAE	
CC(=CC[C@]1(N)CCC[C@@H]2C[C@@H]21)CCCC(C)C	2316539341	JASUFPVNYCTSRO-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
C[C@@]1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCCCCN1	2316873715	OIBCYKBHOBHODK-NXOAAHMSSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317118993	OGCQVFSYFVLYGY-QBPKDAKJSA-N	249.442	4.523	0	10	BJAE	
COc1cccc(CCCCC2=CCCCC2)c1	2318568964	NUCBCPICANNRKS-UHFFFAOYSA-N	244.378	4.908	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C[C@]2(C)CCCCN2)CC1	2318818087	UIKKRTBYMAPELQ-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CCCc1cccc(C(=O)CCC[C@H]2C[C@H]2C)c1	2318930590	ARPWRMOODMPHGG-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2CC[C@@H]2C2CC2)CC1	2319553317	LPZLEBWUFGTXNC-AHNOJICISA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H]2Cc3ccccc3N2)CC1	2320411717	LFZZCIKAAJCZKR-GOEBONIOSA-N	241.378	4.550	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C12CC(CC(C)C)(C1)C2	2321585082	UHHGPUVKJRPIBD-RDHHWEPZSA-N	249.442	4.501	0	10	BJAE	
CCNCC1([C@H]2CCC[C@@H](C)C2)CCC=CCC1	2326702736	UJCCJNCHWHZCBR-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](CNC)c1ccccc1	2328189324	IISNFMNXXHNMMS-NVXWUHKLSA-N	247.426	4.596	0	10	BJAE	
CCCCC[C@H](C)Nc1cccc(Cl)c1	20560118	IDQNSUAJKBVCJF-NSHDSACASA-N	225.763	4.721	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC[C@@H]1C)c1ccc(C)cc1	20561794	CUWOMBAHGBXTBK-USXIJHARSA-N	245.410	4.614	0	10	BJAE	
CCCCC/C=C\CCCCCCC(=O)OC	34268131	SFZAMCGKHIDFDI-FPLPWBNLSA-N	240.387	4.637	0	10	BJAE	
CCCN[C@@H](c1csc2ccccc12)C(C)C	35583996	OVNAIPFDVWUEMU-OAHLLOKOSA-N	247.407	4.598	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccc2ccccc2c1	36951846	WLZKXZSDCZWGJM-OLZOCXBDSA-N	227.351	4.686	0	10	BJAE	
c1csc(CNc2ccc3sccc3c2)c1	36975886	HBOAHUYFDLGFHL-UHFFFAOYSA-N	245.372	4.575	0	10	BJAE	
CC[C@H](Nc1cccc(F)c1F)c1ccccc1	40230070	HUAURXZYASGSFD-ZDUSSCGKSA-N	247.288	4.528	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)C[C@@H]2C)c(C)c1	68610942	JBSUEXFDJKSSNX-DUVNUKRYSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccc2c(c1)CCC2	70977570	WSUHSIWVBHYCHH-CXAGYDPISA-N	243.394	4.556	0	10	BJAE	
CCC[C@H](C)CNc1c(C)cc(Cl)cc1C	83367710	JLDSUQDGMYQBQA-JTQLQIEISA-N	239.790	4.805	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](C)CNCC(C)C	84141121	JFXZPHJDXHMQJX-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1cscc1C	87288013	LFGWNTMWPNRGQE-GFCCVEGCSA-N	238.396	4.846	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCC(C)(C)C1	87770868	HLJLOSXIUYSXQC-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](NC(C)C)[C@@H]1CCC[C@H](CC)C1	93074358	HDFMWFXNSGBJIB-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCC[C@@H]1Nc1cccc2ccccc12	94302958	NDTUMWYCSHTFPT-INIZCTEOSA-N	239.362	4.830	0	10	BJAE	
CCCCC(=O)c1cc(C(C)C)ccc1Cl	107998571	ZTOBHSSVAATGFM-UHFFFAOYSA-N	238.758	4.836	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)CC2CCCC2)cc1	109785482	YUMKXCWBLIVKPS-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CCCC[C@H](C)Nc1nc2cc(C)ccc2s1	110425107	OPBPMIKCNMBADX-NSHDSACASA-N	248.395	4.595	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)c1ccccc1	128646328	MPVIGFYWAPHDBF-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1sc(C)cc1C	132983138	VQJBLDLXROOHFU-CYBMUJFWSA-N	240.412	4.615	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CC1CCCCC1	148210823	FFPFBXXXDBYNMU-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNC(C)C	156071392	UFOSPVSBJPAEOE-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@H](C)C(C)(C)C	161070535	AZWFLDRAPHCKOY-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1ccccc1C1CCC1)[C@@H](C)CC	169085374	KKSPGTROXQECHT-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CC2CCCCC2)C1	227381467	BTZMXTRESLTFPL-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](NCCC2=CCCC2)CC1	228573837	IJMXHSOKOBQYHE-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C)[C@@H]1CCC[C@@H](C(C)(C)C)CC1	229945833	KLTFIFGUQJUOBQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](Nc2ccccc2)C1	230764585	KPICKMSZQADLHI-GOEBONIOSA-N	231.383	4.703	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)[C@H](C(C)(C)C)CN2	232512627	MSARXRCJBAPUQI-CYBMUJFWSA-N	231.383	4.539	0	10	BJAE	
CC(C)c1c[nH]c2c(Cl)cc(Cl)cc12	232767543	WREGETYHKGAFAL-UHFFFAOYSA-N	228.122	4.598	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C1=CCCCCCC1	234461039	CQOOHXGWAIPYMZ-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CN[C@@H](C)C2CCCCC2)C1	235672233	DQQITTCKAJQWPC-KBMXLJTQSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@](O)(CCC2CCCC2)CC1	302269348	QXGHBXNRKSGCRA-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(OCCCC(C)(C)C)c(C)c1	304133068	AMIVBEODHIEVEF-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
CC1(C)CCC[C@@H]1NCC1CCCCCCC1	305967577	YDAUPDYSOFIONP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CNC[C@H]([C@@H](C)CC(C)C)C(C)(C)C	306105576	SDDGLHNHAGUBJP-LSDHHAIUSA-N	241.463	4.577	0	10	BJAE	
CSc1cc(Cl)c(C)c2ccsc12	307564628	ZAYJCXFOCCFUMA-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CCCC(C)C	308041252	AMFYZMQRDSOLEK-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
CCCNC/C(=C\[C@@H](C)C1CCCCC1)CC	310541514	CJICJOBGLBKSGM-QAALXFNPSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CC[C@H]1N[C@H](CC(C)(C)C)c1ccccc1	310634072	PAZQYNHICNEPFU-FVQBIDKESA-N	245.410	4.552	0	10	BJAE	
CC[C@H](C)[C@H](C)c1ccc2c(c1)CC[C@@H](C)N2	320277354	ZKSRGPOPUSMLOC-XQQFMLRXSA-N	231.383	4.583	0	10	BJAE	
CCC[C@@H](C)C(=O)c1ccc2sccc2c1	386411682	JTJJDYHUELXOLZ-SNVBAGLBSA-N	232.348	4.520	0	10	BJAE	
CN[C@H](C[C@H](C)C1CCCCC1)c1ccccc1	386766080	HRVNPALSHBGDPW-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
CC(C)CC1(CN[C@H]2CCC23CCCCC3)CC1	391901574	KDYIDNLLQHJROR-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCc1c(C(F)F)sc2c(S)cccc12	396253989	VVKRRPFDLSAXSB-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCC[C@H](N[C@@H](C)C(CC)CC)[C@@H]1CC1(C)C	397599302	MSDNIEDSHXFNCZ-QEJZJMRPSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](COc1cccc2ccccc12)C1CCC1	398623773	GYKQJDNJBHMTLH-ZDUSSCGKSA-N	240.346	4.655	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2CC=CCC2)C1	402275692	JFJRDRTVIBQYQJ-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CCNCC1(CC2(C)CCCC2)CC2(CCC2)C1	691430667	RRCICMRXLFQXAB-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)CC1CC=CC1	692065011	MYMCDRLBUCRFRE-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H](C)C2CCC2)cc1	692694966	RECIFLJHQWBPNB-CYBMUJFWSA-N	244.378	4.648	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCC12CCCCC2	694451375	MIHOJYOTVVEOGR-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H](C)CC(C)C	696186795	OPTBOSIYYKYFOA-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H](N)[C@]1(C)CC[C@@H](C)C1(C)C	699051409	LYNYOYDMAWKERR-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@]1(C)CC[C@H](C)C1(C)C	699089531	YXJXQFNAGVWALJ-XEZPLFJOSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccc(Cl)c(C)c1	701095996	PCPPWPHMCIZSSM-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@]1(C)CC[C@H](C)C1(C)C	701225307	AIRNSNGLIKNCFV-XEZPLFJOSA-N	239.447	4.602	0	10	BJAE	
N[C@]1(CCC2CCCC2)CCCCC12CCCC2	704486546	KRLQMKPARXNNEL-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CCCC(C)(C)C	704902591	JEYXSDNGSATAOS-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1CCCC12CC2	706293752	ILNCIQHVLVYYEW-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCc1cccc([C@H](NC)[C@H](C)CC(C)C)c1	708299635	ZXOGISKAOKIOJG-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
C[C@H](CNC1CCC(C)(C)CC1)CC(C)(C)C	709124121	LQNXKYXAJJCGPR-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)CCCCC[C@H]1C	709218002	VZKALRDVLGUIJM-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C[C@@H](O)CCC1CCCC1)C(C)(C)C	711182681	UGDMJBWJOIVUIA-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)C[C@H]3CCCC[C@@H]32)CC1	712416374	NJLIMDRGZBWEMY-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C(C)(C)C(C)(C)C	713126750	QYJYGAQBPFHZTN-CYBMUJFWSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CC[C@](CNC(C)(C)C)(CC(C)(C)C)C1	713320554	XKVTXRRWPBSGLE-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCN[C@@H](CCCC)c1ccccc1	713494892	DRCILBFYSRVUHA-UABRLCRWSA-N	243.394	4.640	0	10	BJAE	
CC(C)c1cccc(NC[C@@]2(C)CC2(C)C)c1	717127301	MADDSTCLSPYZMM-MRXNPFEDSA-N	231.383	4.658	0	10	BJAE	
CC(C)=C(C)CCc1c(Cl)ccc(C)c1O	718568272	MJZZCRMKBPBOPR-UHFFFAOYSA-N	238.758	4.643	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@H]1CC2CCC1CC2	718631715	FXEJRCMOVYWQHN-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)CCC=CCCC1	719019300	LESNTESVIWMZSG-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC(C)=C(C)CCC(=O)Cc1cc(C)cc(C)c1	719176450	WANKDJDPLFSHFE-UHFFFAOYSA-N	244.378	4.552	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCCC1(C)C)C1CCC1	719307896	LWZQUXUQCVXGDJ-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@](O)(CC)CC1CCCCC1	720988954	IAXLZJLQNXUCRV-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CC[C@@H]2CCCC[C@H]2C1	723645239	HIEJAOYMZJVTTB-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H](C2CCCC2)C2CC2)C1	723958744	CEZORUQJCOVKNZ-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
C=C/C=C/CCN(CCCC)[C@@H]1CCC[C@@H](C)C1	1460178904	SMAXWUBWSJMJDB-WPLBAPSMSA-N	249.442	4.800	0	10	BJAE	
Cc1ccc(N(C)C[C@@H]2CCC[C@H](C)C2)c(C)c1	1621237091	DCSMTVKLAMLCLI-XJKSGUPXSA-N	245.410	4.566	0	10	BJAE	
CCc1ccc(NC[C@H]2C(C)=CCC[C@@H]2C)cc1	1656859656	OVCDCOBZABQTDG-YOEHRIQHSA-N	243.394	4.653	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC=C(C)CC)NCC	1900884593	WUXDTVZQNGVIFJ-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1c(F)cccc1Cl	1901627222	SJHONGMBQRIGCX-NXEZZACHSA-N	243.753	4.572	0	10	BJAE	
CCc1cscc1N[C@H]1CCCC[C@H]1CC	1902377505	VDZQAJPBBZQMIJ-YPMHNXCESA-N	237.412	4.691	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@@H](C(C)C)C1	1902382407	WGRNLRAFXFEMKR-CHWSQXEVSA-N	237.412	4.547	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C[C@@H]1C[C@H]1CC)NC	1909598350	SHXZJJBGBMQSJB-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@H]2CCCCC[C@H]2O)CC1	1909705460	PKJNPHQEGSNPRC-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@]12CCCC[C@@H]1C2	1909892446	KSSKMRZRPXPHDM-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
C=CC=CCC[C@H](NCC)C1CCC(CC)CC1	1912078552	VMJWWZDJXYGWPS-JCYILVPMSA-N	249.442	4.703	0	10	BJAE	
CCCCCC1(CNC)CC2(CCCCC2)C1	1912554706	JOERMPVJRJIASH-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCCCC1(CNC2CC2)CC2(CCCC2)C1	1912566514	YZHLQAHMFPSWBN-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CCCCC2)C1)[C@H]1CC1(C)C	1915854251	GTNHTLJYIPFVPJ-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(CNC2CC2)C=CCC1	1916342419	NQBWJHNDYGHWRU-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2CCCC[C@H]2C)C=CCCC1	1916568097	HDGXCOYOMURCCL-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@H]2CC2(C)C)CC1	1921541866	UFJUVODNZAUZBS-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@H]1CCCC12CCC2	1921642459	GEFJUGQCUSFWRX-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCc1cccc(C(=O)[C@H](C)C2CCCCC2)c1	1924099516	RWMNXHQWZAQNFM-CYBMUJFWSA-N	244.378	4.648	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)[C@H](C)C1CCCCC1	1924122171	QHZSZDRPPOPBLK-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@H]1C=CCCCC1	1925891898	QHZGPWHQLMXQIW-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCNc1ccc(Cl)c(F)c1	1926130578	AIXZPHPKCHAZEZ-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CC[C@H](C[C@H](O)c1cc(C)cs1)C(C)(C)C	1939445153	WWRAAZGHEJLQOE-NEPJUHHUSA-N	240.412	4.552	0	10	BJAE	
CC=Cc1ccccc1Oc1cc(Cl)ccn1	1940367503	SFECNXBMUYATMT-UHFFFAOYSA-N	245.709	4.560	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@@H](C)C2CC2)cc1	1940722999	NKMABWZNBJUOQJ-CHWSQXEVSA-N	232.367	4.625	0	10	BJAE	
CC(C)CCCCC[C@H](N)CC[C@H]1CC1(C)C	1940859114	MYSMSJXOJMQAOH-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
C[C@](N)(CCCCCC1CC1)CC1CCCC1	1941596240	LJSICVWIBUYVBX-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CC(C)C)CC1CCC=CCC1	1941819074	RLQNTYMBCWTVGE-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](NC[C@]1(C)C=CCCC1)c1ccsc1	1943134421	QXCCZGAAQYZKIS-HUUCEWRRSA-N	249.423	4.535	0	10	BJAE	
CC(C)CC(=O)c1ccc(C2CCCC2)cc1	1944122516	NPEVJOXUFVLQQV-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC(C)(C)CCC(=O)[C@]12CCCC[C@@H]1CCC2	1944223654	UFWHIPIMNMYASY-CJNGLKHVSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]1Cn1ccc2ccc(Cl)cc21	1944797847	TXFGUEKMYGPPPN-YPMHNXCESA-N	247.769	4.731	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@@H]1CCC	1947465134	UHCORJLYULTMPA-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CCCN[C@@H](CCC)CCC[C@H]1C=CCCC1	1947588999	VNGUHQQWEUWSEC-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C[C@@H]1C=CCCC1	1947593263	PHUMKVLFQUTKGR-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC1(CN[C@@H](C)[C@@H](C)CC(C)C)CCC1	1948325861	GAWYBTAAOBATOS-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCCC2(C)CC2)CC1	1949055146	PNECOYIWNOICLH-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@]1(CNC(C)C)CCC[C@H](C)CC1	1950922564	BIABAUVTKUOBRM-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(C[C@@]2(N)CC2(C)C)CC1	1951610722	YIPWXGZTJCKNAL-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
BrC=C1CCCC2(CCCCC2)C1	1954370505	KDOYOGKLZSXPJI-UHFFFAOYSA-N	243.188	4.790	0	10	BJAE	
C=CC=CCCC[C@@]1(C)CCCC1(F)F	1960758471	ZZRIKZXUVFYANO-LBPRGKRZSA-N	214.299	4.724	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCCC1(C)CC1	1968349482	DGJZVZNKQWDAKC-UHFFFAOYSA-N	232.367	4.687	0	10	BJAE	
CCCc1ccc(N[C@@H](C)CCC2CC2)cc1	1968408841	ZJLMBJUBRPTYHJ-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCC23CCC(CC2)C3)C1	1973948707	LHMZJTCMVLODDE-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)CNc1cccc(C)c1	1981291583	HIVMLCBFIFIOSK-UHFFFAOYSA-N	219.372	4.623	0	10	BJAE	
CC=CCCCCCCCC1CCOCC1	1984609841	GOJOLXNOGCWRIA-UHFFFAOYSA-N	224.388	4.720	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H]1CC[C@H](C)CC1	1989812743	UGKADLWQUOXSGC-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCCC1(C[C@H](N)C(CC)(CC)CC)CC1	1990649272	KUYAYYVXHQIXOV-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@](C)(N)C1(C)CCCCC1	1995985401	JGSAFOAROJWXCL-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](CCCC1CCC1)NCC	1996609939	BWQHUZQSAPPRAH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(Cl)ccc1NCC12CCC(CC1)C2	1997005779	IZHIVJCOSXCLLC-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNCCC(C)(C)C)CC1	1997100115	LVUGCZFBIFXICL-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC1CC(C(C)(C)C)C1)NCC	1998241833	VDRVVDIWBBKGJD-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1CCC=CCCC1	1999985707	MBSCCAFUDSZGMG-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)C1(C)CCCCCC1	2000213356	HRUKJJNKNZHQJM-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
C=CC=CCC[C@@](C)(CCCC)CNC(C)C	2000504065	DMVWLNGNPPMTGN-MRXNPFEDSA-N	237.431	4.703	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)[C@@H]1CCCC(C)(C)C1	2003025275	UUZOBKHAVZRHSU-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@H]1CCC2(CC2)C1	2003282832	RXBQXSGVOZTPBB-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@@]1(C)C=CCC1	2003319985	DPABGYKPCAFRKI-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)c1ccco1	2003686842	YXHDXZBSVRAEQQ-AWEZNQCLSA-N	237.387	4.537	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)C1(C)CCC1	2004833097	IIKKGRYOTNVDNV-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CC2(C)C)CCCCCCC1	2004922768	KIOJHDBRKYBDQV-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@]1(CNC)CCCCC1(C)C	2005578975	FSKQLNMRJAABKP-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC1=CCCC[C@@H]1NC1CCCCCCCC1	2007024798	HNPOMZQAQVHGCV-INIZCTEOSA-N	235.415	4.578	0	10	BJAE	
CCCCC[C@H](NCC)C1(C2CC2)CCCC1	2008481484	CNWARBXCAUTLEY-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CCC[C@H](C)C1	2009596920	XGALJQHINXKTRC-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CCCC[C@H]1C	2009616941	NMFQLZGLELDQLA-ZGWFHWIISA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(O)(CC[C@@H]2CC2(C)C)C1	2009718686	BGDMCSSQURCMKJ-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)C[C@](C)(O)C1CCC(C)(C)CC1	2015279884	ASHRCCGPYZBHKT-CJNGLKHVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@@]1(C)C[C@@H]1C	2016466514	HTLHQGOFWACUDI-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)C1(C(C)(C)C)CCC1	2017132714	IOOWEPKLUYYVCF-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCCCC2=O)CC1	2017773299	YTBZGGKLXWWVIJ-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)CN[C@]1(C)CCC(C)(C)C1	2017912631	LXNTXOMDFUXIRU-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H]1C=CCCCC1	2018131530	OROMJXWNHBBFMJ-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@H](CC)NCC1CC(CCC)C1	2018132059	WSHFJTHTBIPXEW-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H](C)C2CCCCC2)CC1	2018919547	ZUVVRTKEELSJMD-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@]2(O)CCCC[C@H]2C(C)(C)C)CC1	2018968472	UYAUUHTWCHFWSK-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCCCCCCC1	2019197749	CXKCBJKJGRPMFK-HZPDHXFCSA-N	237.431	4.611	0	10	BJAE	
CCCN(C1CCCCC1)[C@@H]1CCC[C@@H](C)C1	2020535194	CPPKFXXURYODCI-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1ccc2sccc2c1	2022491936	GCKRCEFXJCCSOL-DGCLKSJQSA-N	245.391	4.749	0	10	BJAE	
CCC(N)(CC)C[C@H]1C[C@@H]1C1CCCCCC1	2022495391	IUFAFURKQFZDKO-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCCc1cccc2c1CC(C)(C)C2	2024788253	NREDSEWWIGBIQK-UHFFFAOYSA-N	228.379	4.710	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CCCC[C@@H]1F	2026058370	DEKVOVNSXIHWLO-MJBXVCDLSA-N	242.378	4.690	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CCC[C@H]1C1CCCCC1	2027006193	JRYPDCPRLHJTKQ-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CC(C)NCC1(CC2(C)CCCCC2)CC=CC1	2027306249	JJLGERCANIQAOA-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)c1	2027792500	FMJPYLNQFIENFW-KLZNWCGWSA-N	245.410	4.786	0	10	BJAE	
CC(C)C(C(=O)c1ccccc1C1CC1)C(C)C	2028570324	XJNFEWZRZXVQIU-UHFFFAOYSA-N	244.378	4.675	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)c1ccc(C2CC2)cc1	2028598128	NRQMNDOSPHDAPJ-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)C1CCCCCC1	2028898563	VEMASOXQWGRRKA-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@](N)(c1ccc(C2CCCC2)cc1)C(C)C	2031750213	PTNVYPMOCZUUCB-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC1(CN[C@@]23CCCC[C@H]2CCC3)CCCCC1	2031806316	XADXEXYKXUHCTE-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CC(CC(=O)C2CC3(CCC3)C2)C[C@H](C)C1	2031827918	PQFPMYLHOOOGGU-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@H](N)CC2=CCCCC2)C1	2031829454	UKAVBHKYJIXRJI-YQFWSFKMSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)c(F)c1	2035407639	HMTSOFDUMRGECI-WQVCFCJDSA-N	249.373	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc2[nH]ccc2c1	2035424917	RGYWDZRDTMQZOF-LRDDRELGSA-N	242.366	4.549	0	10	BJAE	
CCc1occ(C)c1C(=O)CCC1CCCCC1	2035538753	UZEFEFARVQUFOO-UHFFFAOYSA-N	248.366	4.694	0	10	BJAE	
CCCN[C@H](CC1CCC1)CC1CC2(CCC2)C1	2037979811	QMVMONHYFLDJAB-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2CC1CC2(CCC2)C1	2038091000	XRXCYXGKPCSYGJ-AWEZNQCLSA-N	241.378	4.556	0	10	BJAE	
C1CCC2(CC1)C[C@H]2CNCCCC1CCCC1	2039057259	DHZNHPZJAURXFD-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
Cc1cc([C@H](N)[C@H]2CCCC(C)(C)CC2)oc1C	2039357278	QUXBAIAOTLLJDO-DZGCQCFKSA-N	249.398	4.503	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)[C@]12CC[C@H]1C2	2039752647	QVUTUISSESBRHG-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCC2CCCCC2)CCCC2(CCC2)C1	2041289061	FOQLVCRVFDBXCM-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
C[C@H](Nc1cccc(C2CC2)c1)C1CC(C)(C)C1	2043554928	XBJKWULXNCNFNY-LBPRGKRZSA-N	243.394	4.801	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@@H]1CCC=CCCC1	2045317971	QOQFDJQXCPGKCU-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC=CCCC1)C1CCC1	2045324289	UCVKXSUTRJHOLE-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@@H]1CCCC(C)(C)C1	2045392566	VWPLJCHAYBPRLX-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
CN[C@H](C[C@H]1CCCC2(CC2)C1)C1CCCCC1	2049852609	CHIBCDSZEIFHJV-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC2(CC2)C1)C1(C)CCCC1	2049855411	LZGNOWHUQXRUNW-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@H]1CCC2(CC2)C1	2049962903	KIEIYTNCNSDRSA-HUUCEWRRSA-N	248.410	4.886	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC[C@@]2(C)C=CCC2)CC1	2049980292	XOKMIUHSDKPOSQ-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@H](C)C1)[C@]1(C)C=CCC1	2050009686	ZDQNVUVLTNAXHV-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](Oc2cccc3c2CCC3)C1	2050415669	NLXWDENHGPVGFY-AWEZNQCLSA-N	244.378	4.523	0	10	BJAE	
CCN[C@@H](C1=CCCC1)C1(C)CCCCCCC1	2052478440	FWHREJNATQCJTK-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@H]2C=CCCC2(C)C)C1	2055534738	CRHFLWONIDPHRT-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](NCC(C)(C)C2CCCC2)CCC1	2055550237	RXHCGFMUHPZIPX-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)CO[C@H](C)c1ccccc1N	2056115541	HWCIGNORAZBIMG-ZIAGYGMSSA-N	249.398	4.563	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CC1CC2(CCC2)C1	2056448745	GTFXKKJUHKDSKX-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(C)(CN[C@@H]2CCCCC23CC3)CC1	2056536994	TXGLLLNDOZBYHY-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)C1(C)CCC(C)CC1	2056557567	VTWKBSZDSNTWAG-WIHSUSGWSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)C2(C3CC3)CCCC2)CCCCC1	2057608229	DWHGEMVHSPTUQY-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C1=CC[C@H](C)CC1	2060931098	XPLFJNNNVMDNTK-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
C=C=CCCC1(CNC)CCC(C(C)(C)C)CC1	2061563684	RBQSAGLOEQXELC-UHFFFAOYSA-N	249.442	4.550	0	10	BJAE	
CCC[C@](N)(CC[C@]12CCC[C@H]1C2)C1CCCC1	2061617554	PXLGHDUPPRYIGC-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063496346	IZXUFGASROCJJN-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CC(=O)CC3(CCC3)C2)C1	2063720760	LCIHVFTZYGENMS-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC2(CC([C@@]3(N)CCCC(C)(C)C3)C2)C1	2063798949	PRBVFOJGDXDGBC-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1OCC12CCC(CC1)CC2	2065286234	OOXBEJUIESPZFL-UHFFFAOYSA-N	244.378	4.598	0	10	BJAE	
CCCN[C@H]1CCC[C@@H](CC23CCC(CC2)C3)C1	2065338705	HUIBGRJJQUJEAB-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)c1cc(C)ccc1C	2068823807	UIMQTRIGBLJABC-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)c1ccccc1OC[C@@H]1CC12CCC2	2069182284	LHXUQDWRQJHHLL-ZDUSSCGKSA-N	244.378	4.553	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2C[C@@H]3CCCC[C@@H]32)CCC1	2069335135	LDABBSUKOSEXEF-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@@H]1C)[C@@]1(C)CC=CCC1	2070961840	FZKHHGUBGWDOER-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCC[C@H](C3CC3)C2)CCC1	2071945170	DGIOUHYFLZKMFL-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@H]2CCCC23CC3)CCC1	2071951058	RRGBSTNCQORIOE-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC2=C[C@@H](N)CC(C)(C)C2)CC1	2072819482	DJNCOOHBSWNEES-ZBCRRDGASA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCCCC[C@H]2N)CC1	2072822193	SBDDVZUZVLXURX-BFYDXBDKSA-N	249.442	4.811	0	10	BJAE	
CCCC1(C[C@](O)(CC)c2ccc(C)cc2)CC1	2074610842	CFACQTZXLXVMCV-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CCCC1(C[C@@]2(CN)CCCCC23CCC3)CC1	2074622840	AYCJXYTVITVKEO-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@@]1(C)C=CCC1	2074653739	RILHRTLEBWOYAR-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](N2CCCCC23CCCC3)C[C@H]1C	2074800120	RZKSXAUVGYIJJN-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@@H]1CCC2(CCC2)C1	2074896503	PZIHPMHDLQNRSC-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1C[C@H]1C1CCC1	2079282404	MFSIZFWDZHVBLA-ZBFHGGJFSA-N	243.394	4.658	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	2079336672	JZGCVXBDBVOQES-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
Clc1sc(C2CC2)c(Cl)c1Cl	2080447251	IQIDILZJGLVDPL-UHFFFAOYSA-N	227.543	4.586	0	10	BJAE	
CCN[C@H](CC)c1ccc([C@@H]2C[C@@H]2C(C)C)cc1	2082715488	QBGRSIGTNHSREE-IXDOHACOSA-N	245.410	4.507	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cc(C)c(Cl)cc1F	2210736965	LHRDFYULXWFCPD-WPRPVWTQSA-N	243.753	4.634	0	10	BJAE	
CCCCCC[C@H](CCCCC1CC1)NC	2211125611	LFDALWUNEBFCKJ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC(C)NCCCCCCCCCC1CC1	2212442685	LTZANKOLPHGHCD-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
C[C@H](O)C[C@@H](C)CCCCCCCC1CC1	2212446938	VBHUZBAXACHZKY-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@@H](N)CCCCCCC2CC2)C1	2213573848	MIDWLMVKQPOXOG-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC(C)N[C@@H](C)[C@@H](C)CCCCCCC1CC1	2213576441	PTVKBJKBZXZSLG-GJZGRUSLSA-N	239.447	4.760	0	10	BJAE	
CC1(C)C[C@H](O)[C@H](CCCCCCC2CC2)C1	2213579367	FAFVBPUMEYJWNK-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
N[C@H](CCCCC1CC1)CC1CCCCCC1	2214574476	UKVATFSXBWSVSX-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCNCC(CC)(CC)CC[C@@H]1C[C@H]1CC	2215267808	ZNQDDGIZOVDSNB-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@](N)(CC2(C)CC(C)(C)C2)CC1	2215389784	XEBDPZXHZVUGSQ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc2c(c1)SCC2	2216719742	DZFZGRHSUZKWCG-ZDUSSCGKSA-N	249.423	4.716	0	10	BJAE	
C[C@@H]1C[C@H]1C[C@H](O)CCCCCCCC1CC1	2216861418	GIHKSJYEWAIZIU-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CNC1CCC1)C1CCCCCC1	2217157292	RSPAWEOMDDKGJW-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218325842	SWMQRXQHQZRRPE-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218348894	DCLIHYGXTMFJJA-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218349056	DTXOBUKSQJGRKL-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C[C@@H]1C[C@H]2C[C@H]2C1	2218728629	VJBJPKNRTWBMTL-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCC1CC1)C(C1CCC1)C1CCC1	2220038500	GRTRTZGNROADJA-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC[C@@H]1CC2CCC1CC2)C1CCCCC1	2220290986	OBKUPVFPIPEYKY-GMGZGELVSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC[C@H]2CC[C@@H]2C)cc1	2220601116	VIQFKZPRDONPMY-GRDNDAEWSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(N)CCCCCC23CC3)C1	2221027919	KYUBSSUVJQQAFX-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@H]2CCC[C@H](C)C2)CC1	2221631872	ORMOXPQOPGDKCN-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@H]2CCC3(CC3)C2)C1	2222257644	KZAQOFVDAMWTJX-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H]([C@H](C)CCC)[C@H](C)c1ccccc1	2224169801	JRMOVVOTNWXOHC-INMHGKMJSA-N	247.426	4.595	0	10	BJAE	
CC(C)=C(C)CCc1cc2cccnc2s1	2242924503	QFDLKRHURJVROO-UHFFFAOYSA-N	231.364	4.585	0	10	BJAE	
CCC[C@H](CN)CC[C@@H](C)CCCC(C)C	2244843406	OTQCTEOIQVGZQY-GJZGRUSLSA-N	227.436	4.604	0	10	BJAE	
CC(C)CCC(=O)c1ccc2ccsc2c1	2246126253	ALPJIAJJIZVLFW-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CC[C@@H](C)CC(=O)CC[C@H]1CCCCC12CC2	2246605342	DIAZMKYMKYKWBS-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCCC1(CO)CCCC1	2248819077	HOKBXTOIUQKWOL-GJZGRUSLSA-N	238.415	4.536	0	10	BJAE	
CCC1([C@H](N)CCCCC[C@H]2C[C@H]2C)CCC1	2248855242	RSBPOLHBHJFPMW-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CCCCC[C@@H]1C[C@@H]1C)C1CCC1	2248877455	GBAKGEXVBLBIRR-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCCC(C)(F)F)NCC	2250356421	FCTKSPVVCSTBHM-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](CC)CN[C@H](CC)c1ccccc1	2250378765	QBACRUSJVGBAAD-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)CC1CCC1	2250487578	CGEMFPOQLXLFAY-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)NC[C@]12CCCC[C@@H]1CC2	2251199943	COLUNHOADKCUGF-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)CC1CC(CC(C)(C)C)C1	2251491698	IFYBJLZSFXJNQM-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
CCC1(CN(CCC(C)C)CC(C)C)CCC1	2252640314	SZMQEPXHZOMWAO-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
C=CC=CCCc1ccc2ccc(Cl)cc2n1	2252699524	FODBECHFDFMAAX-UHFFFAOYSA-N	243.737	4.563	0	10	BJAE	
CCC1(C[C@@H]2CCc3cccc(C)c3N2)CCC1	2253864772	OFNVWQXOCHVITM-HNNXBMFYSA-N	243.394	4.692	0	10	BJAE	
CCN[C@H](CC)c1ccc(CCC=C(C)C)cc1	2254228746	HHQUQJWAKSIFLG-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)CC12CCC(CC1)C2	2254528996	GTLSYAQLXHWVTC-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC[C@@H]2C[C@@H]2C)cc1C	2254596336	VGHGMFKYSDSSRK-UXLLHSPISA-N	245.410	4.520	0	10	BJAE	
Cc1cccc(C(=O)CC[C@H]2CCC23CCC3)c1	2255010730	SYLJDZVZPIMMFV-HNNXBMFYSA-N	242.362	4.538	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)C[C@H]1CCC12CCC2	2255019920	WETRBYPGSQRVPP-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](CC[C@H]2CCCC23CC3)NC)CC1	2255290924	KRGXPXLCQBHPNK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NC)c1ccc(CCC)cc1	2256291223	AQRUWLSILWJVEN-UKINESCASA-N	245.410	4.646	0	10	BJAE	
Cc1cc(NCC(C(C)C)C(C)C)cc(C)c1C	2258239335	RRESOBTWMYTVAA-UHFFFAOYSA-N	247.426	4.952	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](c1ccccc1)C(C)C	2259477138	GPTLUKSVBNZVEW-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@@]12CCCC[C@@H]1CC2	2260579567	RYQNTVJUSDNTQZ-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
N[C@H](C[C@@]12CCC[C@@H]1CC2)C1CCCCCCC1	2260587902	PKWRGLSQOSCXIH-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@]12CCC[C@H]1CC2	2260602640	KTRGZCQVYCXYGL-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1cc(C(C)C)ccc1C	2300462366	AWRMWTRDAWQQFU-UKRRQHHQSA-N	231.383	4.719	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@H]1C[C@H]1C(C)(C)C	2300501134	JZYLTRHMTQQSPO-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCC[C@@H](C)CC1	2300684853	YQFBEFJLVRHOEW-HIFRSBDPSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H]2CCCC[C@H]2C1=O	2300702084	VUJTZSOCWUXCAV-RBSFLKMASA-N	236.399	4.598	0	10	BJAE	
CCC(F)(F)[C@H](N)CC=C(C)CCCC(C)C	2300931990	OOEQNCCGFDATMX-CYBMUJFWSA-N	247.373	4.522	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(O)CC1CCCCCC1	2301138583	XJQHYDFSIGBEDF-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(O)([C@@H](C)[C@H](C)C(C)C)C1	2301862561	VOTBCBNSHBKZEP-QVOMUQBLSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1[C@@H](NC2CCCCCCCC2)CC1(C)C	2302134446	FREXZDIDRUSAGH-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)CCCC1=CCCCC1	2302342438	IPXICCNFBFUEQC-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
C[C@H](C(=O)CCCC1=CCCCC1)C1CCC1	2302346601	IQQLPFPBRKHQBG-ZDUSSCGKSA-N	234.383	4.662	0	10	BJAE	
CC(C)CCCCC[C@H](O)CCCCC1CC1	2302579965	ONGCOHDJBODRBV-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(O)(C[C@@H]2CCC(C)(C)C2)CC1	2302723685	VPEAIPILAAEZGE-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc(C)c(F)c1	2307763504	MUUZIDIXVDXRJV-LBPRGKRZSA-N	236.330	4.533	0	10	BJAE	
CCC[C@@H](CC)CC1(CN)CCC(CC)CC1	2307820910	DCZADSOTJKWFFO-HWOWSKLDSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CNC(C)C)CC(C)C	2307830912	GRGNWEOYYSRKBW-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1CC(C(C)(C)C)C1	2307833988	GENNHTIJRQCYFU-PPWQZUPISA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CC)C1CCCCC1	2307836655	ARXKBFOTZWDBLT-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1(CC2CC2)CCC1	2307907512	CQWDNZWKXPWQFN-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)CC1CC2(CCC2)C1	2307911416	VLRCQBZKICXWJY-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)C[C@@]12CCC[C@@H]1C2	2310385295	DUOVDGVIPHZHTD-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](C[C@@H]1CCC=CCCC1)NC	2310970634	BQSMSANXZRWBMV-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@@H]1C[C@H]1CCC	2311515826	ULTWRWMXRVAYIO-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@]23CCCC[C@@H]2CC3)C1	2313304722	AXAMQVQZEHMZNP-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CCc1cc([C@H](N)C2CCCCCC2)ccc1C	2314636879	RODMJWGDLQCCHD-QGZVFWFLSA-N	245.410	4.528	0	10	BJAE	
CC1(CC[C@@H](N)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316884135	KRKRHBNXIIABSL-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H](C)c1ccoc1	2317916466	ZMRCVJJAIYEJAN-NSHDSACASA-N	247.313	4.715	0	10	BJAE	
COc1ccc2ccn([C@H](C)[C@@H](C)C(C)C)c2c1	2317987513	ZBVUCCBHOGXIQS-QWHCGFSZSA-N	245.366	4.503	0	10	BJAE	
CCc1ccc(NCCCC2=CCCCC2)cc1	2318552272	WULMWFAOQJGCIR-UHFFFAOYSA-N	243.394	4.942	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)CC2CC3(CCC3)C2)C1	2319119666	WQUHQBSRSVBYBK-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CC)C1(C)CC=CC1	2320383398	ZQEHHTWWJFVIGL-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2[C@@H]3CCCC[C@@H]23)CC1	2320423643	NQPCUIYESLXTQB-RBSFLKMASA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCN[C@@H](c2cc(C)ccc2C(C)C)C1	2327672776	ITUHWSZNPFALGF-RHSMWYFYSA-N	245.410	4.569	0	10	BJAE	
CCC(CC)NC1CCC(C(C)(C)CC)CC1	19233264	CKCOXOJAIPZGSQ-UHFFFAOYSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](N[C@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1	20008816	ZOWUNQPLHQWAKV-WTTBNOFXSA-N	245.410	4.552	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1C[C@H](C)CC(C)(C)C1	35135636	QJVAEGMISDDVGF-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CC(=O)c1oc2c(C)cc(C(C)(C)C)cc2c1C	36970023	RKCIVXLYSCJTHE-UHFFFAOYSA-N	244.334	4.550	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(C)cc1Cl	37245141	FCIYFOJSOOETJD-LLVKDONJSA-N	225.763	4.639	0	10	BJAE	
CCCC[C@H](C)N[C@H](c1ccccc1)C(C)(C)C	37292276	XWQNJVQGSWPBMW-GOEBONIOSA-N	247.426	4.942	0	10	BJAE	
CC(C)(C)c1ccc(OC2CCCCC2)cc1	38918365	JRONYRFSAZKHFX-UHFFFAOYSA-N	232.367	4.696	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CCC(C)CC1	71084869	JWHXAKMCKPRIHA-SHARSMKWSA-N	225.420	4.501	0	10	BJAE	
CCCCN[C@@H](C)Cc1ccc([C@@H](C)CC)cc1	71444639	GPLHLMLGNRFNCT-GJZGRUSLSA-N	247.426	4.521	0	10	BJAE	
CCCCCC[C@@H](CCCC)NCCC	86315484	GNZUMLBPLIMGST-CQSZACIVSA-N	213.409	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1CCCCCC1	87946669	HUDNQALWYICWAX-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)Nc1snc2ccccc12	90869241	DFDPQMMCCWRWLY-GHMZBOCLSA-N	248.395	4.533	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCS[C@@H]1C	94475398	PHBZOBDPTUGEMR-TZMCWYRMSA-N	249.423	4.506	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)Cc1ccc(C)cc1	109713861	AYRDMKLIOSLPQJ-WBVHZDCISA-N	248.410	4.505	0	10	BJAE	
CC[C@H](C)c1csc(-c2ccc(C)c(F)c2)n1	132276610	YQEBWOMLOQLKFG-VIFPVBQESA-N	249.354	4.771	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCC(C)(C)C[C@@H]1C	155829109	UJORLORRFSADAS-WFASDCNBSA-N	249.373	4.761	0	10	BJAE	
CCCCCC[C@@H](NCCC)c1coc(C)c1	158454700	ICFWPEMKCMEKBF-OAHLLOKOSA-N	237.387	4.599	0	10	BJAE	
C[C@@H](Sc1ccc(Cl)cn1)c1ccccc1	219732794	BIEWLUMKMLZDPK-SNVBAGLBSA-N	249.766	4.588	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)CCC(C)(C)C)[C@@H](N)C1	222570629	OWHRGWGGDUMWSQ-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CCCCC2(C)C)c1C	226784086	UEYLZAMOVCAYMG-HNNXBMFYSA-N	244.378	4.703	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cc(C)cc(Cl)c1	229271909	JQYYGGCUSYWETG-IINYFYTJSA-N	240.774	4.508	0	10	BJAE	
Cc1cccc([C@H](N)C2(CC(C)C)CCCC2)c1	229298428	PNOQSJRQVSSEGN-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CCC[C@@H](C)C[C@H]1CNc2c(C)cc(C)cc21	233272920	HADOUGBRFHYEPW-RISCZKNCSA-N	231.383	4.639	0	10	BJAE	
CC[C@@H](C)c1c[nH]c2c(C(F)(F)F)cccc12	233861315	VRWAKHUCFPOVGQ-MRVPVSSYSA-N	241.256	4.700	0	10	BJAE	
C[C@@H]1CCC[C@](O)(C2=CCCCCCC2)CC1	300138854	WVARHDFJGAMXFB-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CCc1ccc(N[C@@H]2/C=C/CCCCC2)cc1C	302321915	QAYJGQSCVCIYFD-MNDMWVCDSA-N	243.394	4.858	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC1C[C@H](C)C[C@@H](C)C1	302456838	DHYACXKZLCHDKS-MCIONIFRSA-N	239.447	4.616	0	10	BJAE	
CC(C)C(C(=O)CCC1CCCCC1)C(C)C	304405608	OVAWKKLDSIBWCZ-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](C(C(C)C)C(C)C)[C@H](C)CC(C)C	310100005	KFOBGQZMULHGPZ-ZBFHGGJFSA-N	241.463	4.575	0	10	BJAE	
C[C@@H]1C[C@H](CC2(C)CCC2)c2ccccc2N1	310125073	IXMMOPIPQCBEPJ-CHWSQXEVSA-N	229.367	4.555	0	10	BJAE	
CCN[C@H](CC1CCC(C)CC1)C(C)(C)CC	310500664	JDOXIZXJEOQOTD-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCC[C@H](C)C2)cc1F	310775235	QEVWRYKMBWKOAV-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CC1(c2nc(-c3ccccc3)cs2)CCCC1	312953363	BHXYDEFWSAIJMK-UHFFFAOYSA-N	243.375	4.642	0	10	BJAE	
C[C@@H]1CCC[C@@](CNC2CC2)(CC2CCCC2)C1	317831561	WFENDNURRMEOPH-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)[C@H](C)C(C)C	319271502	FFNGBJXEEUJCPS-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CC(C)CC[C@@H](C)NC[C@@H](C)C1CCCCC1	379928177	TUPVUMHFADEQSS-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](c1cc(C)c(C)o1)C1(CCC)CC1	380655342	BZYZJCCRNHCQJL-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1csc(C)c1	381236973	UNBRUSQKHWXWLT-TZMCWYRMSA-N	239.428	4.663	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](CCCC(C)(C)C)NC)C1	382667338	PMCSZVHWJXXUBU-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)cc1NCCCCCC(C)C	383160187	PZFPRPFWEVZBNE-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
Cc1cccc(OCCCCCC(C)C)c1	383225930	GMFLXQKRIDUBHF-UHFFFAOYSA-N	220.356	4.590	0	10	BJAE	
CC(C)NC[C@H](C)CC[C@H](C)C1CCCCC1	384051079	RTDNBKPIAQCCJY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCc1cccc2ccn([C@H]3C[C@H]4CC[C@H]3C4)c12	384931481	AHMOBZDWWDJNGD-RCBQFDQVSA-N	239.362	4.565	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccsc2Cl)CC1	387177170	CPIHLPYFHYZABZ-UWVGGRQHSA-N	243.803	4.782	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CCC2CCCC2)C1	393833158	LPFDWAAPIKBNJV-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)CCN[C@@H](c1ccccc1)C(C)(C)C	394455948	JOEXBULZFCLWQL-HOCLYGCPSA-N	247.426	4.800	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)Cc1ccccc1	394853230	GRVAPRHUSVPJDB-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
CCC[C@](C)(CCCCCC(C)C)CNC	394854466	HIQDYBKIRVPLGA-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCNC/C(=C/C(CC)(CC)CC)C(C)C	395127247	PBFKJPKRSHFAPO-QINSGFPZSA-N	239.447	4.785	0	10	BJAE	
CCc1c(C(F)F)ccc2c(C)csc12	396200641	OKJIWCGAFMNOLJ-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@@H](C)c1ccccc1	401593491	TWMYBYJWFZCYMT-ZMSDIMECSA-N	245.410	4.554	0	10	BJAE	
CCN[C@H](CCC(C)C)CCC(C)(C)C1CC1	405828547	RVVCSTJEVZUTDU-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CCCC2CCC2)C1	688356889	PMGFJQSMLJTUAU-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H](C)c1ccccc1	689870426	RICGYJNNRWSQSU-HUUCEWRRSA-N	245.410	4.696	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](c1ccccc1)C1CC1	695097968	JPIRGUUWLQLTEV-BBRMVZONSA-N	245.410	4.552	0	10	BJAE	
CCCC1(CN[C@@H]2CCCC[C@H]2C2CC2)CCC1	696065239	VQWIDBGWFOUTID-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]1CCCC[C@@H](CCC(C)(C)CC)C1	696704590	REZIPNQHKOMKSI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CC(C)(C)CC	697259338	OYZLPGRMSXGVHY-CYBMUJFWSA-N	226.404	4.988	0	10	BJAE	
CC(C)C1(C(=O)CC2CCC(C)(C)CC2)CC1	697572343	IWEZCOHWHAFMHS-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	697835259	KLFBVLWEYTXJTR-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
CCCCC[C@H](C)NC1C(C)(C)CCC1(C)C	699593778	SFJRZVXWDPOZMH-ZDUSSCGKSA-N	239.447	4.760	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H]1C[C@H]1C(C)(C)C	700011305	GKXSHPUMNNNPKB-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@]1(C)CC1(C)C	702179280	BFXASCDOCNYVTB-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CCCC(C)C	703962351	YHOFTFSQMIGMHG-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
CCC[C@H](C)CC1(N)CCC(C2CCC2)CC1	704459007	GCBPJKIQPPMKMS-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
C[C@@](N)(CCC1CCCC1)[C@H]1CC2CCC1CC2	704504648	BOBNMLVWFLUVIT-SJJHQCBESA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc(N[C@@H](C(C)C)C2CC2)cc1	705311700	UHDRZLVYGXBTRC-KRWDZBQOSA-N	245.410	4.876	0	10	BJAE	
Cc1csc([C@@H](N)C[C@H](C)CC(C)(C)C)c1	709092804	ZXXIEFNNTJKRJE-JQWIXIFHSA-N	239.428	4.519	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@H](C)CC(C)(C)C	709127316	QCGBDMHWAQLTBU-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CNC[C@@H](C)CC(C)(C)C)C(C)C	709142696	JYRZOYDBCNUKSU-AWEZNQCLSA-N	241.463	4.577	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@]12CCCC[C@H]1C2	710482494	FLEBPOGTQNUZPH-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@@H](C)C(C)(C)C	710721989	YTFNBDQBQRLPFP-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](CNC(C)(C)C)C[C@@H](C)C(C)(C)C	711176733	SVMAAIVCNCWOTD-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@H](C)CC(C)C)C(C)(C)C	711183232	VLQHFCHNHFSPMC-RBSFLKMASA-N	242.447	4.882	0	10	BJAE	
CNC[C@@H](CCCC(C)C)C1CCCCCC1	711313319	PVHBWXPOZYCUOW-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@@H]1CC(C)(C)CC	713186152	UVOBWIOQBBKKOH-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)C(=O)CCC1=CCCCC1	721731645	MMJQRLPIGOCGEU-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
Clc1ccc2c(c1)Cc1cccc(Cl)c1-2	888085262	WTXULXXKHFTNFD-UHFFFAOYSA-N	235.113	4.565	0	10	BJAE	in-vitro
C/C(=C\Cl)CSC[C@@H]1CCC[C@H](C)C1	1189197117	ACQIRKSEWQXFDY-SGVWJNLRSA-N	232.820	4.689	0	10	BJAE	
C[C@H](SCC1CCCC1)c1ccccc1	1189911957	CSQCBGQVFOXTRM-LBPRGKRZSA-N	220.381	4.671	0	10	BJAE	
CCC1(C)CCC(N[C@H](C)C(C)(C)CC)CC1	1462431686	YXTZAAIQMDYWAR-VQCLRJIVSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@H](C)CSc1ccc(F)cc1	1655984004	CRRZMSLDMXMMQF-NSHDSACASA-N	226.360	4.600	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CC(C)(C)CC[C@H]1C	1659927771	FTAUGGQAJYPQDX-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@](C)(N)[C@H](C)CCC(C)C	1900597246	RPQMRUZVPJZCOW-HUUCEWRRSA-N	227.436	4.602	0	10	BJAE	
CCc1cscc1N[C@H]1CCC[C@@H](CC)C1	1902380608	DQSMLKXZIHBKRZ-YPMHNXCESA-N	237.412	4.691	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CCCCCC1	1905449202	KDBYWWOKXDQDHJ-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC[C@H](C)C1(CNC2CC2)CC2(CCCCC2)C1	1912563039	BIBPDMOOSBNNCQ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](O)(CC)c1cccc(C2CCC2)c1	1919480659	PXYWDYFVEVTJEC-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
CCCCCC[C@](O)(CC)C[C@@H](C)CC	1919945180	VNTCMGQUABNLRZ-UONOGXRCSA-N	214.393	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)C1C[C@H](C)C[C@@H](C)C1	1919969638	KVVWULOZJUOQLB-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CCCCCC1CC1	1919977086	TUVKAPMVVKTDHC-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H]2C=CCCCC2)C1	1925804672	GBVXOQVLRMYDGA-HLIUYOAVSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C[C@@H]1C=CCCCC1	1925883848	FZSHPDOEQYIIEO-BZUAXINKSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)C[C@H](C[C@H]1CCC[C@H](C)C1)NC	1926373057	YTKCXKVOIBXAAL-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCCCC(=O)CCCCCCC(C)C	1933343081	SZVXNNXFGRVNTM-UHFFFAOYSA-N	212.377	4.742	0	10	BJAE	
CCC1(C[C@H](O)[C@@H](CC(C)C)C(C)C)CCC1	1941243222	KAMJIIKBOKILNL-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)CCCCCC1CC1	1941586985	OGWNPCYPWAUPCC-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](CNC(C)C)C(C)(C)C	1942655077	GEBBHDDVLHEIBF-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)c1ccc2sccc2c1	1944666460	QWFHLPLQJQEXAC-CQSZACIVSA-N	247.407	4.583	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(C)(C)CCNC(C)(C)C	1944843649	SXGHVXOYVKJWGF-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H]1CC[C@@H](F)C1	1945209842	UPRGYGXTASXDFE-MGPQQGTHSA-N	242.378	4.546	0	10	BJAE	
CCC[C@@H](CC)N[C@@H]1CCCC2(CCCC2)C1	1946455165	LVYODVVQDQEWEG-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCC1(C[C@]2(N)CC(C)(C)CC[C@H]2C)CCC1	1948980848	CTXMNVUNOPRIAA-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CNC[C@H]1CCCC(C)(C)CC1	1950918085	IJPIENZGYFFLGT-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC=C[C@@H](C)Cc1ccc(OCC)cc1CC	1951305521	NIWRLRNQLGLBCE-CQSZACIVSA-N	246.394	4.793	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)CCCC(C)C)C1	1963181786	FSBCHGLQFAEXKH-CQSZACIVSA-N	239.447	4.760	0	10	BJAE	
C1=C(CCN[C@@H]2CCCCC23CCC3)CCCC1	1966435012	SRDAGMYLAQEVSU-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)c1C	1968250783	SWIVDCIGRFLWKD-MUJYYYPQSA-N	243.394	4.684	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCCC23CCCC3)C1	1969958893	VJKRYVKIVMFXSI-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)Nc1ccccc1SC(C)C	1970344452	TZDKOGYZRYLADV-UHFFFAOYSA-N	237.412	4.788	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@@H]2CCCCC23CC3)C1	1972729150	PXUSOPUHNOHXEE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H](C)C12CCC(CC1)C2)C1CCCCC1	1973849704	RZKGMPPLMZLFGA-FSOQPWQOSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1CCC[C@H](CC)CC1	1976343209	TVJRHBBJNAOITE-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCCC(CCC)CNCCC(CC)CC	1981286526	FDPQSPJCTBTVOX-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCCCSC	1981567644	DYQGTKYGZYCIAJ-ZDUSSCGKSA-N	244.444	4.551	0	10	BJAE	
CC(C)=C(C)CCc1ccc(F)c(F)c1C	1982929417	HTZRUEZQZNAYCQ-UHFFFAOYSA-N	224.294	4.562	0	10	BJAE	
CCCC[C@H](CCC1(CCC)CCC1)NC	1988465698	BKRPXDCVVQSZGX-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](N)CCC1CCC(CC)CC1	1989813203	ZFVAIOSNPRMBAZ-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CCN(C)CCCC(C)(C)C	1990840032	ALBFFJTWJOTNBY-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H](C)CCC(C)C	1990901856	YALYQYGSELCQFB-GASCZTMLSA-N	227.436	4.568	0	10	BJAE	
CCC[C@@H](N)CCC[C@@H]1CCCC(C)(C)C1	1994025560	IHAMSIXYFPPCRT-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](Nc2ccc(Cl)cc2)C1	1994914597	OCIKLFGAQPIGEA-RISCZKNCSA-N	237.774	4.577	0	10	BJAE	
CC[C@H](C)Cc1csc([C@H]2CCC[C@@H]2C)n1	1995465763	NXCACPGXOQMLQO-GVXVVHGQSA-N	237.412	4.635	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CC[C@H](C)C2)c1	1996219693	QQEUSTMGMGWSRB-KBPBESRZSA-N	231.383	4.658	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccccc1SC1CC1	1996551024	ZDHQEKKSJWZJKG-NWDGAFQWSA-N	249.423	4.788	0	10	BJAE	
CCCC=CCNC[C@@H]1CCC[C@H](CC)CC1	1997215831	RBWIVUCAIGUEKE-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)c1csc([C@@]2(C)CC=CCC2)n1	1997604467	NWFTWCBHZAWPKC-HNNXBMFYSA-N	249.423	4.829	0	10	BJAE	
CCCCCC(CCCCC)NC1[C@H](C)[C@H]1C	1998460966	BYZCLHQGECVUEZ-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@@H](C)C1CC1	2000505573	SGGYXXGSALWNMJ-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](CC)(CC[C@@H]1CC1(C)C)CNC	2000506057	XPNVVEUVFUKIOA-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CNCCC)[C@@H]1C=CCCC1	2000508690	LJZQZIUGMWONFE-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)C[C@H](C)CC(C)(C)C	2000909834	RWWVPDHXNDMGAE-KGLIPLIRSA-N	241.463	4.815	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H]1CC12CCCCC2	2001210315	JEKOMECCNASGAA-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@@H](C)[C@]1(O)CCCCC12CCCCC2	2001597921	YMDRMWCYLAOJDP-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@]1(CC(C)C)CCCC(C)(C)C1	2002993792	NUBRRYZHWRAWFG-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
O=C1CCCCCC[C@H]1[C@@H]1C=CCCCCC1	2003116878	LRUGWDRWRGDRAE-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCC3(CC3)C2)sc1C	2003277914	PLLHRWAOGWBFDL-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCCN[C@H](CCC1CC=CC1)c1cccs1	2003686173	SGVSMJVCUWECLI-CQSZACIVSA-N	249.423	4.535	0	10	BJAE	
CC(C)(C)CC[C@@H](O)[C@@H]1CCCCC12CCC2	2005602542	YACFZXXZJZHQRE-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@H](C)C(C)(C)C	2007948246	TYKGERRABLSQCT-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1(C2CC2)CCCC1	2008472902	JRUWHDSFJIQXIX-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC=CCCCOc1ccccc1C(C)(C)C	2009574970	DBXMHQHDIHTGHS-UHFFFAOYSA-N	232.367	4.719	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1(C)CCCC1	2009599447	ZLZNJFOHRZVUEZ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1CCC[C@@H]1C	2009617482	SPBGHRDLBOZPRZ-QPSJONLNSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@H](NCCC)[C@@H]1CC	2009620452	VQXWVNKZWHCDFG-GUJPZIPKSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC)C1=CC[C@@H](C(C)(C)C)CC1	2010715590	UIGNBTDZYAJECN-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C1=CC[C@@H](C(C)C)CC1	2010768682	KNKVKXFHXMGFPG-UKRRQHHQSA-N	237.431	4.523	0	10	BJAE	
CCCC(CCC)[C@H](CCC[C@H]1C[C@@H]1C)NC	2011584967	XJAMVKPKWOGEBT-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CC[C@](CCCCCF)(CNC(C)C)C(C)C	2012410834	JVPKGCRVBNUXBV-HNNXBMFYSA-N	245.426	4.567	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC(C)(C)CC(F)F	2013294568	AXQLBZHRNZCMMB-AWEZNQCLSA-N	249.389	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)[C@@H]1CCC1(C)C	2014904121	VLVFQWOTHVDQAW-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@H](CCC2CC2)NCC)CCC1	2015642964	WQBCMSXFBSESDE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@H](NCC)C2(CC)CC2)CCC1	2015646771	AQNAZAMMIIVHCA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@]2(C)CC2(C)C)CCC1	2017122705	DEZHWIOBLSQNCN-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC1(C(C)C)CCC1	2017141060	MKOUCRFCAYPOIG-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CC[C@](CNC1CC1)(CC(C)=C(C)C)C(C)C	2017462469	AORVJUDOOMXEFW-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)CCC2(C)CC2)CC1	2017659708	WSONHHLJRAXHQY-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@@H](N)CC2(C)CC2)CC1	2017723870	LQIKGOXIPHBHRM-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(CC(=O)CC[C@@H]2C[C@@H]2C)CC1	2017777715	KRIOVNAOPQLUTO-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@H](CC)C(C)C)CC1	2018994524	BWMUUYBRSXSUKR-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC1(CCC)CC1)NCCC	2019001628	XXMLVAGLJXZFDW-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CC1(CC)CC1)NCC	2019008567	PCDQOLVVCHVQJY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCN(C)CC(CC)(CC)CC	2019380702	WTZCVDPPWPZKNP-UHFFFAOYSA-N	241.463	4.961	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCNC12CCC2	2020576800	ABUGHJFTEFCMTK-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H]1CCCC1(C)C	2021078777	DUXDDIRAVWQHOC-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H]1C[C@@H]1C(C)(C)C	2022593136	UVWGNSPLEVFNBM-ZQDZILKHSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C(C)(C)C(C)(C)C	2022683666	OOASNSKXYVMNIE-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)NCCCCC(C)(F)F	2023290551	RQAGMRWDVXIEKG-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
C[C@H](CC1(C)CCCCC1)[C@H]1CC[C@@H](N)CC1	2023550891	RJTFNJYFLATHCV-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
Cc1ccc2nc3c(c(Cl)c2c1)CCC[C@@H]3C	2024000056	WBZBEDWCANKFAV-JTQLQIEISA-N	245.753	4.636	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@](C)(N)C2(C)CCC2)C1	2024095874	SQZJSMIWQXDWCO-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCCC(=O)c1ccc(-c2ccccc2)s1	2025596610	KTNBAEBRABOXRD-UHFFFAOYSA-N	244.359	4.788	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NC)c1ccccc1	2026162283	AXIKWMOUZPPBTC-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CN[C@H](CC[C@H]1CC1(C)C)C1=CCCCCCC1	2027815818	QJRRVBPCTOBUJX-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc([C@@H](O)[C@H](CC)C(C)C)cc1CC	2028230914	ZFEZWJDWYLDOCV-IAGOWNOFSA-N	248.410	4.527	0	10	BJAE	
N[C@H](CC1CCC=CCC1)CC1CCCCCC1	2028873025	QQFJAFPWBRNQQT-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
C1CCC(CNCC2(C3CCCCC3)CC2)CC1	2029741057	HHQBWRYNJOEFMI-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)[C@@H](C)[C@H](N)c1ccc(C2CCCC2)cc1	2031745293	KVAFJVZYGZTBHU-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
C[C@H](Nc1cccc(C2(C)CC2)c1)[C@@H]1CC1(C)C	2032248394	YCWWGINFJGQKBI-WFASDCNBSA-N	243.394	4.585	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2(C3CCCCC3)CCC2)C1	2033056522	FWWXWVALFLKFQR-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](CC(=O)C12CCC(CC1)C2(C)C)C1CCC1	2033436787	IGXITCYHSCCULY-MKQDKFQKSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@H]1CCCC[C@@H]1C	2035575960	LQLLXBQPNONOBH-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
N[C@@H]1[C@@H]2CCCCCCCC[C@@H]2C12CCCCC2	2035892453	RRSLUWFMXIRZJM-OWCLPIDISA-N	249.442	4.645	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)C[C@H]2CCC[C@@H](C)C2)C1	2037044583	BNGDWSJAKLNZLC-NOYHWAJDSA-N	249.442	4.523	0	10	BJAE	
CC(C)=CCC[C@H](N)c1ccc(CC(C)C)cc1	2037150159	UOVNASDJKNGHEL-KRWDZBQOSA-N	245.410	4.631	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N([C@H]2CCC3(CCCC3)C2)C1	2037673935	AHXYFAHNFJHQEC-XHSDSOJGSA-N	249.442	4.610	0	10	BJAE	
CN[C@@H](CC1CCCC1)[C@H]1CCC2(CCCC2)C1	2037752316	NVDGTSPKKBQNQK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H]2CCC3(CCCC3)C2)CC1=O	2037856903	SHDNUNXCFHXIRW-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1(CCNC2C[C@@H]3CCC[C@H]3C2)CCCCC1	2038621319	FZLVKJALHIVYRH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NCC1CCCCCC1)C12CCC(CC1)C2	2039860876	ZJFFXPUISIGCOO-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C(C2CCC2)C2CCC2)C1	2040142033	MCCKEUHXILIXHC-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC(C)C(=CC1CC2(CCC2)C1)CNC(C)(C)C	2040972630	GUUUYZFJJYOVDV-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](NC2[C@H]3CCC[C@H]2CC3)CC1	2042053487	HWGUVJHHUQAXPU-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)[C@@H]2CC23CCCCC3)C1	2045508988	XYDMILBTIUEZAK-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CC23CCCCC3)C(=O)C1	2047063315	VGGDTHCMTPIDCF-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)C[C@@H]1CC12CCCCC2	2047064344	DJJXSAQTBADXRX-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)C[C@H]1CCC12CCC2	2047930874	BMMKWGOWSMFQQG-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2[C@H]3CCCCC[C@H]23)C1	2048366807	UBRGHZBYGMZPRN-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CC1(C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2049167327	CECPOOUAOBXFTG-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049200929	ONONEGLGHAUZSD-QLPKVWCKSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049210842	FUBYFQUZUGEDKX-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2nc([C@H]3CCCC(C)(C)C3)[nH]c12	2049573252	GUDMBRBZDVNAKU-LBPRGKRZSA-N	242.366	4.555	0	10	BJAE	
CC(C)CC[C@@](N)(C[C@H]1CCC2(CC2)C1)C1CC1	2049861752	VHBPBOQKEYYQHU-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CCC(CN[C@]2(C)C=CCCC2)CC1	2049971969	YXFZXKQOAHETDW-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC=CCC2)CCCCCCC1	2052475155	IAEQCYHFQCHBQF-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CCCNC[C@]1(CCC2CCC2)CCCC12CC2	2053353372	BITGMCMFPHIPDI-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@H]1CCCCC12CC2	2053417714	FTZMXYBGDMQVLY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
F[C@@H]1CCCC[C@H]1C[C@@H]1CCNc2ccccc21	2055176399	YWJBGEVLSGHDHR-KCQAQPDRSA-N	247.357	4.504	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC=C1C)c1cccc(C)c1	2055668348	CKLADAMGBQYZLS-IAGOWNOFSA-N	243.394	4.535	0	10	BJAE	
CC=C(C)[C@H](NCCC)c1ccc(C(C)C)cc1	2056778177	XDYQNXFENMQGNF-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
C[C@@H]1CC[C@@](C)([C@@H](N)C=C2CCCCC2)C1(C)C	2056880583	CPDPSGAROLTOSV-KMFMINBZSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C1(C2CC2)CCCC1	2057608829	KAGOGSMUMPUWSY-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CCCCC12CC2	2059220643	CYLYJKKQXWFLHZ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(N[C@@H]2C[C@@H]3CCCC[C@@H]32)C1	2059390229	LSOUTGBMPPZXGG-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC=C(C2(N)CC3(CCCCCC3)C2)CC1	2060908070	BVZZPQDJBNZMAB-CQSZACIVSA-N	247.426	4.565	0	10	BJAE	
CCC1CC([C@@H](N)C2=CC[C@H](C(C)(C)C)CC2)C1	2061099983	SXJZTXZPRFJKQN-UAOKOLBASA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C1CC(=C2CC2)C1	2061647230	OHGNVWSKFJDJBH-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CCNC(C)(C)C)CC1CC(=C2CCC2)C1	2061669253	UWWVXOQUQGAMND-CYBMUJFWSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C(C1CCC1)C1CCC1	2062625551	PZEBVGCSXNYXNT-SWLSCSKDSA-N	248.410	4.598	0	10	BJAE	
N[C@@]1(CC23CCC(CC2)CC3)CCC=CCCC1	2065337438	ASDNAZWSBYPCAZ-JCYILVPMSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)Cc1ccc(C)cc1	2066052679	JKMAQMIIHVSIDB-QGZVFWFLSA-N	247.426	4.642	0	10	BJAE	
CC[C@H](N[C@@H](C)C1(C)CCCC1)c1occc1C	2067563015	SPARIGNPUACORR-KBPBESRZSA-N	249.398	4.598	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)[C@@H]2CCC2(C)C)c(C)c1	2068288829	SPAJVGYCYOXSSG-GJZGRUSLSA-N	245.410	4.848	0	10	BJAE	
O=C(CC[C@H]1C[C@@H]2CC[C@@H]2C1)CC1CCCCC1	2068697343	AWVZYCUFKJPNLH-PHZGNYQRSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@H]2CCCC23CC3)CCC1	2069344069	GVRAZTUSVZZVED-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CC2(CCC2)C1)C(C)=C(C)C	2072425440	NPUKYPZIAMHXJN-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cccc(C2(C)CC2)c1	2072825914	ZMNOLUKTWZGCMZ-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CCC23CCC3)CC1	2072870415	BUKHGMNULRBBQG-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCC2(CCCC2)CC1	2074898403	CITRSNBVUUQRCO-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@H](CC)N(C)Cc1cc(C)cc(C)c1	2074920816	GTZIBFDXJHCWQQ-KRWDZBQOSA-N	247.426	4.704	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CNc1cccc2ccccc12	2079620778	RDWAPFRLBHUJJF-GOEBONIOSA-N	239.362	4.544	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2C[C@@H]2C(C)(C)C)cc1	2079621875	XWVMVYODLSNIGN-HOCLYGCPSA-N	245.410	4.904	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2C[C@H]2C2CCCC2)CCC1	2079864562	MSZBIUQOIHCZEX-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CCC2CCCC2)CCC[C@@H]2CCCC[C@H]21	2081130790	AHJRMLLRNMAFJY-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCCCC1(C)C	2081946320	GIIINIFUONSOJV-HNNXBMFYSA-N	249.373	4.769	0	10	BJAE	
CC(=CC1CC(C(C)(C)C)C1)[C@H]1CC[C@@H](N)CC1	2082132173	CHIAMPXMFOEAJZ-CCNIWWLTSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)c1cc(C)cc(C)c1C	2082921827	JNIYSCZQEZFADP-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
Cc1scc(C(=O)CCCCC2CC2)c1C	2211102994	OYXWJMZVOVSWOO-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CC1(N)CCC(=CCCCCCC2CC2)CC1	2213577427	BLWINCOXPMDMKG-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)CCCCCCC1CC1	2213577437	BOOQGIHAKQNYGK-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@@H](C[C@@H](N)C2CCCCC2)C1	2214777977	RDSOGZVUEYCDFW-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCN1CCCCCCCC1CC1	2216862736	ZTAUEWYCVNYDCK-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CC[C@@H](C)CC1(CN[C@H](C)CC)CCCCC1	2217140397	QEKAGARXBMAONH-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)C2C[C@H]3CCC[C@H](C2)C3)C1	2218336251	BEBWGIZAMBPAIM-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@@H]1CCC12CCC2	2220043573	APPUEYFFGGWTEQ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCOc1cc(C(C)C)ccc1C	2220957300	CYSCJEIOJSMGNI-ZBFHGGJFSA-N	246.394	4.933	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)[C@H]2CCC(C)(C)C2)CC1	2221602163	PIZNVSYQQKJZIJ-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
CC1=CC[C@@H](CN(C)[C@@H]2CCCC(C)(C)C2)CC1	2221611509	DJBJIPNQHQQMHH-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CC1=CC[C@](C)(C(=O)c2cccc(C)c2C)CC1	2221644784	VCHIKRXXIFZHDZ-KRWDZBQOSA-N	242.362	4.623	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@@H]2CC=C(C)CC2)CC1	2221665856	GLEMKZVLVLNOJW-RDHHWEPZSA-N	249.442	4.680	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)[C@@H](C)c2ccccc2)C1	2224177793	YKFSDDXWXUDZKX-SOUVJXGZSA-N	244.378	4.576	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1cccc2ccoc12	2224200802	FIJRTDQMYRPGNJ-LBPRGKRZSA-N	244.334	4.832	0	10	BJAE	
CC(C)C(=O)CCCC[C@@H]1CCC[C@@H](C)C1	2242769149	CBNMZIMAKPSCNU-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCCc1ccc(CC[C@@H]2C=CCC2)cc1	2243549616	PHWFYEYTUIKNIA-OAHLLOKOSA-N	214.352	4.538	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1(CCC)CCC1	2244778250	RIGDHYHMUIDSDG-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)NCC[C@@H]1CCCCC12CC2	2246641825	HVUUGDMAVILYEZ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCNCCC(C)(C)CC[C@H]1CCC[C@@H](C)C1	2246687642	PUEKRKXLGULKRR-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc(C)c1OCCCC[C@@H]1C[C@H]1C	2247174964	YLFWRWGZDHZVGY-HUUCEWRRSA-N	232.367	4.509	0	10	BJAE	
CCCC[C@](CC)(CN)CCCC[C@@H]1C[C@H]1C	2247177936	ZRDBBPUVWISNCW-OAGGEKHMSA-N	239.447	4.748	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CC[C@@H]1CCCC12CC2	2247666711	UJLHCENZUFXBNW-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C(=O)CCC2CC2)cc2ccsc12	2248566812	ITRJVPJCCOTVQG-UHFFFAOYSA-N	244.359	4.583	0	10	BJAE	
CN[C@@H]1CCC[C@@H]1CC[C@@H](C)CCCC(C)C	2250479825	YYNJTSNULSDORQ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C(=O)c2ccc3ccsc3c2)C1	2253085155	ONPGSQZYTAGYIY-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CCCC3(CC3)C2)C1	2253998115	SZCOIGLTBUMIGJ-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC1(C)C)[C@H]1C=CCCC1	2254972533	KWCUVWPKVVAHLL-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC1(C)C)[C@@H]1C=CCCC1	2254972536	KWCUVWPKVVAHLL-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC[C@@H]1CCCC12CC2)C1CCC(N)CC1	2255236936	XKOWNTJIUFRRPP-UIDBIOKJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)CC[C@H]1CCCC12CC2	2255285424	XBWMOHRFZMJNKB-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2CCCC23CC3)C1	2255335954	CSFJNLXJINRMFI-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CC2(CCNC2)C1	2259615264	QITIGZJBUPQYLB-MYJWUSKBSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@]23CCC[C@H]2CC3)CCC1	2260494832	WLLCULCFICHVQV-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NC[C@]12CCCC[C@H]1CC2	2260585851	DOJRZYKGPUEGKG-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@](O)(C[C@]23CCCC[C@H]2CC3)CCC1	2260615584	JEANCYGBTQIDLD-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@@H]2CCCC[C@@]2(C)O)C1	2298259011	HRTAQOMMUBAIFG-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C(=O)C[C@@]12CCC[C@@H]1CC2)C(C)C	2298707216	PEERVKKZGGGKLB-FMKPAKJESA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@H]1CCC2(CC2)C1	2300471170	GYIGIPLLDGRDAI-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@H](CNC1CC1)CC(C)C	2300676786	SBMMBHYMZYWKSX-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H]1C[C@H](C(C)C)CCC1=O	2300699278	FQAGDEPCUDHNFL-CABCVRRESA-N	238.415	4.844	0	10	BJAE	
CC(=CCC(=O)CC(C)(C)F)CCCC(C)C	2300881281	OVYFTAVPUWBART-UHFFFAOYSA-N	242.378	4.856	0	10	BJAE	
CC[C@H](C)CN(C)CC=C(C)CCCC(C)C	2300884135	ONVPXIASKOMCAM-HNNXBMFYSA-N	239.447	4.737	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CC=C(C)CC)NC	2300904724	RPAPYAACLXHVRL-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
OC[C@H](CC1CCCCCC1)C1CCCCC1	2301238980	LRWDOIFBHWHYQA-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CC(C)CN(C1CCCC1)[C@H](C)[C@H](C)C(C)C	2301966745	FBKZFTNRKGUFMC-HUUCEWRRSA-N	239.447	4.568	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)CCCC1=CCCCC1	2302331942	QKVORJHSMSBWFO-CVEARBPZSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CCCC1=CCCCC1	2302356198	KQMWWROVTSFSRA-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC(F)(F)CCCC[C@@H](O)CCCCC1CC1	2302572332	TVVHOCGBUCHSAJ-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCCC[C@@H]1C[C@@H]1C	2302635586	LAANPYGGWQTILQ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CNC(C)(C)C)C[C@H]1CCC(C)(C)C1	2302709936	MGLBWIXFPLCSRV-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1CCC(C)(C)C1	2302875290	GYKRFSFNEVHIBW-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@@H]1CC[C@H]1C(C)(C)C	2303442748	NCMBWNCLIOXYIU-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCCCCCN(C)C[C@H]1CCC(C)=C(C)C1	2303593008	RDHATRZQLNNKFD-INIZCTEOSA-N	237.431	4.635	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)CC[C@@H]1CCC(C)(C)C1	2304360014	PHQZHZFMIVWTKG-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC2(C)C)c1F	2307573835	LJIPYNANQUSIQL-ZDUSSCGKSA-N	235.346	4.550	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](O)c1ccccc1C	2307823864	PYZGGZFIDMRGKC-GOEBONIOSA-N	234.383	4.635	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC(C)(C)C[C@@H]1C	2307840951	DVDUAQSGGGXFOZ-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CC)c1ccccc1	2307847496	XFLXMFMNXZRYKB-HOCLYGCPSA-N	234.383	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)[C@@H]2C[C@H]2C2CCCC2)C1	2311526280	ZSVWUOQJGSZDPD-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2311609988	XMCULIDBSHLTAC-VWNJHIHFSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@@]12CCC[C@@H]1CC2	2313294492	GRPSTSXXYHFICO-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@]12CCCC[C@H]1CCC2	2313653692	BWDALFMXAZOHDV-KMFMINBZSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(OC(CC2CC2)CC2CC2)cc1	2313668161	LHTFJQLXGVGGMI-UHFFFAOYSA-N	244.378	4.597	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CCC2CC1C2	2315883923	SSYJEHAEZPESSN-BCLQGDPASA-N	243.394	4.719	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CCC[C@H]2C[C@@H]21	2315885291	CDWBGZYYGYTVHV-HRCADAONSA-N	243.394	4.719	0	10	BJAE	
CC(=CCN(C)C[C@@H]1C=CCC1)CCCC(C)C	2316516942	NLSVHTJLTDWTEY-QGZVFWFLSA-N	249.442	4.657	0	10	BJAE	
C=C=CC[C@@H](CC=C(C)CCCC(C)C)NCC	2316579613	PYNSZZRRMSVEBR-KRWDZBQOSA-N	249.442	4.858	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316753113	UYMVAMDQPMVQMR-QMHWVQJVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@]1(CNC1CC1)CC1CCCCCC1	2317015083	FOMBVDOLWRLSTM-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@@H]1CCC[C@@H]1C	2318576131	MEWLAKQAHIEOBP-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](C)CN(CCCC2=CCCCC2)[C@H]1C	2318583742	SNUPWXSBGDOZND-PMPSAXMXSA-N	249.442	4.633	0	10	BJAE	
CCCc1cccc(C(=O)CCC[C@@H]2C[C@@H]2C)c1	2318930589	ARPWRMOODMPHGG-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)C[C@@H]1C=CCC1	2318943552	HMZXVBBXHYTEOC-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC(C)(C)C1)c1ccco1	2319117595	BWGCPXMPEGEGRZ-UONOGXRCSA-N	249.398	4.537	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2CC[C@H]2C(C)(C)C)c1	2320239735	HCRZLXHKTCHXPO-LSDHHAIUSA-N	245.410	4.788	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@@]12CCCC[C@H]1C2	2320320393	NTMGVPAIMVUNRG-UMPJEAMMSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1CC)[C@]1(C)C=CCCC1	2320392626	QIHTVNWTULVOGC-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCCN(CC)Cc1cccc(C2CCC2)c1	2320629872	YRYZJAMJQKAXFY-UHFFFAOYSA-N	245.410	4.576	0	10	BJAE	
CCc1cc(F)cc(NC2CCC(C)(C)CC2)c1	2321084594	YODGYFDFYLZWJQ-UHFFFAOYSA-N	249.373	4.769	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccc(O)cc2F)c1	2327673637	RRSAZZXNCLHMHJ-UHFFFAOYSA-N	244.309	4.630	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1ccc(C)c(C)c1	20587054	QLIQREATWXXEEG-ZBFHGGJFSA-N	233.399	4.520	0	10	BJAE	
CC(C)CCC[C@@H](C)CCOc1ccccc1	33962134	MKXPLUCMXAMDBY-OAHLLOKOSA-N	234.383	4.918	0	10	BJAE	
CCCC1CCC(N[C@@H](C)c2ccc(C)o2)CC1	35013406	FJFLMDZLVXLFPX-NFOMZHRRSA-N	249.398	4.598	0	10	BJAE	
CCCC[C@@H](C)Nc1c(C)cc(C)cc1C	71104423	VVMGLNRESKRSKM-CQSZACIVSA-N	219.372	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CCC(C)C)CC1	83437362	QUJCLOGKVBAIIL-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)CCC(C)(C)C)[C@H](O)C1	85157709	GHUKOCYSZNREMK-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(F)c(C)c2)CC1	86908478	DYAUAWOMPFLHNX-KBPBESRZSA-N	249.373	4.905	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H](C)c2ccco2)CC1	86939325	SHXOAGWOUCSOAA-RRFJBIMHSA-N	249.398	4.535	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)C1CCC(CC)CC1	87937557	XUTJPFXPSYPULT-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
C/C=C\C[C@H](CC)c1ccc(SC)cc1	107605748	MOVANKMZJYBJLC-RNZFLTOJSA-N	220.381	4.868	0	10	BJAE	
Cc1ccc([C@@H](O)CCC2CCCCC2)c(C)c1	109784830	WRFXQEJQMCMHJX-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CCCCCCC1(CNCC(C)C)CCCC1	110202190	UIPGYHQYEPBHHQ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)c1csc(CSCC(C)C)n1	132233556	LJCAWALGIYVKIS-JTQLQIEISA-N	243.441	4.546	0	10	BJAE	
CCCCCC[C@H](NCCC)C1(C)CCCC1	158510033	KTVIKDSPCHTWAR-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCc1ccccc1N[C@H]1CCCC[C@H]1C(C)C	214418115	RPDGOXNIBRELEH-RDJZCZTQSA-N	245.410	4.876	0	10	BJAE	
CSc1ccccc1N[C@H]1CC[C@H](C)C[C@@H]1C	221824165	ZYZGFIZQFWIEAB-AVGNSLFASA-N	249.423	4.645	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1CC[C@@H](CC)C1	227466972	LXBRCYNTJBMPHS-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C1(CC)CCCC1	229175333	LQEORJADPUJOFU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C/C(=C/Cl)CNc1ccc(C(C)(C)C)cc1	231997196	IGIBQXSMKCLYPO-LUAWRHEFSA-N	237.774	4.539	0	10	BJAE	
CCC[C@@H](C)C(=O)C1CCC(C(C)(C)C)CC1	233268416	UUVHTTRJEUADLS-IYXRBSQSSA-N	238.415	4.844	0	10	BJAE	
Fc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1	252426363	USOYKPJACUMZOM-HEHGZKQESA-N	247.357	4.597	0	10	BJAE	
Cc1cccc(CCC(=O)C[C@@H](C)CC(C)C)c1	302308847	IBQZGSBDASAEDD-HNNXBMFYSA-N	246.394	4.569	0	10	BJAE	
CCN[C@@H](CCC[C@H](C)CC(C)C)C(C)(C)C	302364544	OBORKXHLGSENIU-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCc1cc(NCc2ccc(C)s2)ccc1C	302372817	ZYZFFJZIYKACCO-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)c1ccccc1C	302435197	SRMFTBAKECXBMW-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1coc2ccccc12	305900794	AQLRMBBLNZRGPV-IUODEOHRSA-N	246.350	4.539	0	10	BJAE	
Fc1c(C(F)F)ccc2c(Cl)csc12	307110514	NRRHZDYLGMQLKT-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@@H](CC(C)C)c1nc2ccc(C)cc2[nH]1	308056329	PLMWHJQKEZZXAF-ZDUSSCGKSA-N	244.382	4.801	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(CC)CNC(C)C)C1	317529480	UIECZUBTDVKSRR-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCCC2)CCC[C@H](C)C1	318590931	LXNWDMNMVNXDAG-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@H](C)C1(CNC(C)(C)C)CCCCC1	319042118	SQOCGWHYUBQSPI-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)n1ccc2cc(Cl)ccc21	319627811	PABKTTAFRRRTCK-JTQLQIEISA-N	221.731	4.512	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cccc(C)c1Cl	320259825	ZCXHYDGTDSPOKS-ONGXEEELSA-N	238.758	4.513	0	10	BJAE	
CCCCCc1ccc(N[C@H](C)[C@H]2C[C@@H]2C)cc1	321906150	OQFKGSCDMMNCAE-VBQJREDUSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC/C=C/c1ccccc1	324353991	ZTCRAQOSAJBYQT-ZJTAJZJASA-N	246.394	4.667	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCC(C)(C)CC1)C1CC1	324513433	IWUFAOMKCIZKCY-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCN[C@@H](C(C)C)C1CCC1	324743046	OGRRIGZTSDSJMF-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1N[C@H](CCC(C)C)C1CC1	380172096	XAOKZXIWQJTVQW-MRXNPFEDSA-N	231.383	4.622	0	10	BJAE	
CC(C)C[C@@H](C)COc1ccc(C(C)C)cc1	382667844	WTODNAMGDZUQEH-CQSZACIVSA-N	234.383	4.871	0	10	BJAE	
Cc1cc(C)c(NCc2csc(C)c2)c(C)c1	383171858	NYGBRIUHSGRMTP-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CC(C)CCCCCNC[C@H]1CCCC[C@H]1C	383222484	FUCCFWCZMTWKFY-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCC[C@H](C)CNC(C)(C)C	383284170	PQNSZMKZYNDCDG-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CC1CCCC1	383309458	VMNOWCDISYVDMI-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCc1ccccc1[C@@H](C[C@@H](C)CC)NCC	384624925	JDIUHJDRUJEIBD-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC23CCCC3)c1C	385869690	YNMFRULFXDIAEZ-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
CC[C@@H](C)Oc1cccc(NCC(C)(C)CC)c1	394593124	MKRNTQYAVIQFOI-CYBMUJFWSA-N	249.398	4.712	0	10	BJAE	
Cc1sc2ccc(C(F)(F)F)cc2c1C	396199566	OXLYIRGODJWQBX-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
COc1cc(Cl)cc2sc(C(F)F)cc12	396289515	LBCHHSYCHHYPBZ-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCC[C@@H](Nc1ccccc1CC)[C@H]1CC1(C)C	397637555	WONWTKIEHWOKSV-GDBMZVCRSA-N	245.410	4.876	0	10	BJAE	
CCC[C@@H](NC1CCCCCC1)[C@@H]1CC1(C)C	397831697	RXRJGUKUVRVVIB-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CCCC1CCC1	688413790	SWIBUIIVCXTRNV-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCc1ccc(CC)c(NCC[C@@H](C)CC)c1	689505632	ODPDOUIFGSLESU-ZDUSSCGKSA-N	233.399	4.660	0	10	BJAE	
CCCCCCNc1cccc(C2CCC2)c1	690112540	FJQOLSYXDBEBJA-UHFFFAOYSA-N	231.383	4.946	0	10	BJAE	
Cc1cccc(-c2ccccc2C2CCC2)c1N	690420371	KXLTUACRSZQTGN-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1N[C@H](C)C1CCCC1	691168638	BOOBDBLLSMCNCT-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2CC3CCC2CC3)C1	691727181	IPVFENBMFFFFJH-WXGPCXSOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@]23CCCC[C@@H]2C3)CC1	693548695	OYWOKBFSZVVGHS-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@H](C)C(C)(C)C	696582992	UQJGPIPGWIUSIN-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H]([C@H]1CCCCC1(C)C)C(C)(C)CC	701183031	JZCYSJHITPKWOY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(O)([C@H]2CCCC[C@H]2C)CC1	704797439	GDDYHGNGAAOEEZ-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H](C)CC(C)C	709179552	WEHQHVYJRNZBTJ-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCC1(CN[C@@H]2CCCC[C@@H]2C2CC2)CCCC1	710138719	MFNIEYOZLIKEGJ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]21	712359746	ILJKRAIJHBARLM-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@@H]1CC12CCCCC2	713040047	WUJDZOOVJPCOPI-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCCCC[C@H]1C(C)C	713213067	YNESDIJEFRESJD-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@](CC)(CNC)CC(C)(C)CC	713246779	WNNOXHRKTQBYJW-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
C=C/C=C/CC[C@@H](O)c1ccc(C(C)(C)C)cc1	713762092	ZGTICHOBOBENBH-FYCOFBDGSA-N	244.378	4.540	0	10	BJAE	
CC/C=C/C[C@H](CCC)c1ccsc1	714552046	QARRQGDTQVFPGL-FYJFLYSWSA-N	208.370	4.988	0	10	BJAE	
C/C=C/[C@@H](C)Cc1ccc(SCCC)cc1	714559565	CJOWKMRZWCKHNU-DIECRNLCSA-N	234.408	4.943	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1csc(C)c1C	718527897	NBLQHFOCFZPNTQ-AWEZNQCLSA-N	237.412	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@@]1(CNC2CC2)CCC=CCCC1	719048416	ODPGLSAAJXLEFI-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1=CCN([C@H]2C=CCCCCC2)CC1	1473351558	OQZZGDWZGYEZJC-INIZCTEOSA-N	247.426	4.554	0	10	BJAE	
CCC[C@@H](NCc1c(C)cccc1C)C(C)(C)C	1617986612	AMCVPMCABQPIOH-MRXNPFEDSA-N	247.426	4.608	0	10	BJAE	
CCC(CC)CN(CC)[C@@H]1C=CCCCCC1	1652278232	PKSBUEZSVQVQFY-MRXNPFEDSA-N	237.431	4.633	0	10	BJAE	
CCC(CC)c1cscc1C(F)F	1889469896	DPZXIURVVLULLW-UHFFFAOYSA-N	204.285	4.589	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1C[C@H]1CCC	1897549142	ZYMZTCQBSHBYOH-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)CC1CCCCC1	1905389186	LFSMSKOFAXZYIF-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H](CC)CCC	1905434656	LMAMFLLUSGLDBS-SOUVJXGZSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C[C@@H](C)C(C)(C)C	1905448766	ZBFBZEPGYKNBML-RDBSUJKOSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)C1(C)CCCC1	1905449103	ZUJNAUUKRVCGQM-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
O[C@H]1CCCCCCCC[C@@H]1CCC1CCC1	1913431855	YVZFEIHMDFFETB-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
N[C@]1(CCCCCC2CC2)CCC2(CCCC2)C1	1916416950	FRRMUINXFISZHI-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCC1CCC([C@H](N)[C@@H]2CCCC23CCC3)CC1	1921586339	NBNYCLFFUUNRPQ-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
FC(F)c1cscc1C[C@@H]1C=CCCCC1	1925875337	UBNJQLVRSLFCQE-SNVBAGLBSA-N	242.334	4.975	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H]1C=CCCCC1	1925904683	XWOZNHIWVCMSFV-OWCLPIDISA-N	237.431	4.667	0	10	BJAE	
CC(C)CCCCCCNCC[Si](C)(C)C	1936244843	BZDMCHFKSRNXMZ-UHFFFAOYSA-N	243.511	4.521	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CC2(C)CCCCC2)C[C@H]1C	1940407180	OVZKGNHOEMKZGY-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCCNCC(C)(C)C1CCCCC1	1940772913	KHVBVRQSBSILSB-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)CCC1(C)CC1	1940789284	AKQAIWDPRKHQLO-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)CCC1(C)CC1	1940868328	GDZVPLRAJGHZGM-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](C)(CCCC1(C)CC1)CNCC(C)C	1940868560	HEZLGKDBLLYFGW-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(O)CCCC1(C)CC1	1940875833	JTBYNVQJCKONGC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC1(CCCn2ccc3cccc(Cl)c32)CC1	1940881171	DDGKYXYVWXIZNE-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@@H](CCC)C(C)C	1941264584	SHKJXKVUTYGYPJ-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@H](CC)C(C)C	1941269276	OFTMQMGEKPHOIM-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)[C@H](C)C(C)C	1941585143	DMFXTVUXUOIFMY-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CC1CCC=CCC1	1941794399	UMRQFIDQMIYLNJ-JKSUJKDBSA-N	237.431	4.523	0	10	BJAE	
CCCNCCC(C)(C)CC1CCC=CCC1	1941794654	XLDXOZVLGIYGHJ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(C(C)C)CCCCCN1	1942659743	JKHIHQRJKMGHFI-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@H](C)CCC(C)C	1942662980	YPOZRPSCZRGHHW-BZUAXINKSA-N	242.447	4.882	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)C[C@@H]1CCC[C@H]1C	1944890089	GDKSLLFJWWEORQ-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@H]2CC[C@H]1C2	1947123613	LTQJSQRVCYPAPB-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C2=CCCCCCC2)CC1	1948952105	SIOQYROKTCRLAH-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)[C@@H]2C=CCCC2)cc1	1962721902	HURBGRLCZWVLMV-CYBMUJFWSA-N	242.362	4.523	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NC1CCC2(CCC2)CC1	1967794352	WGWWNJKBYRPSBU-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC(N[C@@H]2CCCCC23CC3)CC1(C)C	1972741384	CWJMGEXWSFXYFG-CQSZACIVSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC)c1cc(C(F)F)cs1	1977078127	HMXBXQNTGGSNHE-JTQLQIEISA-N	247.354	4.527	0	10	BJAE	
CCC(C)(C)[C@H](O)C1(C)CCCCCCC1	1981417033	WNVBLVGYAXFGFF-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
C/C=C/CCCC(CC)(CC)CNC(C)C	1984640665	TVYCXQAKYILUEB-RMKNXTFCSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@](N)(CC)CC1(CCC)CCC1	1988467290	SWGCPXPSFBXFAO-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CC(C)=C(C)Cn1ccc2ccc(Cl)cc21	1989652140	RJBXGSCQYJIZBY-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H](C)C1(C)CCCCC1	1995990409	HDXLVKKYHZAWSZ-LSDHHAIUSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@@H](C)C1)C(C)(C)CC	1996273149	SLQGYBGIYARBSL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)c1cccc(C(C)C)c1	1996612497	YQKJBQRIEVORKT-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
CC1(C)CC(O)(C2CCCCCC2)CC1(C)C	1997807241	BYVZLOREFOIZED-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C(=O)CC2CC(C(C)(C)C)C2)CC1	1998234764	MVBSNFJSKAOFGO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)N(CC)C[C@H]1CCC=CCCC1	1999980797	GWVDHWJHOQCNSU-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2000055907	FFBYUGTTXXLKHE-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CCCC1CC1)CNCC(C)C	2000499972	PMWVDTNVOXHFQS-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@H]1CC12CCCCC2	2001254201	LYPUIMZRSDGXAH-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(CN[C@@H](C)C[C@H](C)CC)CC1	2002884352	UIWMBPVRXBSCIR-QVOMUQBLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@]1(CNC(C)C)CCCC(C)(C)C1	2002978518	IXZUSHMYXKDRLU-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@H]1CC[C@H](C)CC1	2003066692	HAHOLLGPCARJFF-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1CCCCCCC1=O	2003116593	JVERXMKCNCSPJG-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC(C)=C(C)CCC[C@@H](N)c1ccccc1C	2003648350	WWTKNDWXQJGOFV-MRXNPFEDSA-N	231.383	4.521	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@@H](CCC(C)=C(C)C)C1	2006625573	YEXSGNLBXSAFRG-NUEKZKHPSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC1CC(C(C)C)C1	2007739416	YBTHMFUVELRLDY-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CC=CCCCN(CCCC)c1ccccc1	2009574925	VFKRHKRAXJNUAP-UHFFFAOYSA-N	231.383	4.649	0	10	BJAE	
CC=CCCC[C@]1(O)CCC[C@H](CC(C)C)C1	2009593236	MSZHUBFNLRMQJC-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C1CC(C)(C)C1	2009597985	JGXGSPRSPYXSKC-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCCC2(C)C)C1	2009715413	FCFMVXGMXKESAV-NRXISQOPSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2010723158	SVUAUUGQHVDSTQ-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
C[C@H](CC(=O)CC[C@]12CCC[C@@H]1C2)C(C)(C)C	2011010103	DCOMRFLNQPPGCM-IOASZLSFSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)CN(C)CCCCCC1CC1	2011177293	DGYQSUGQZIRKNU-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCC(F)(F)CCC(=O)C1(C(C)(C)C)CCC1	2017133885	YSWNYQGVUSKAES-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCNC[C@@]1(CC(C)=C(C)C)CC[C@@H](C)C1	2017467397	WKPOHMQYTVQYQE-ZBFHGGJFSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)[C@@H](C)CC(C)C)CC1	2017656214	VIBXODDXSAUSHD-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)[C@H](C)NCCC1CCC(C)CC1	2017746381	KVJJSEQTUKVYTH-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@H](C)C2CC2)CC1	2017773231	XSBDJYJQNOEGSZ-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC[C@](C)(NCCC2CCCCCC2)C1	2017867296	DPNSWGZRYHUWQH-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@](N)(CC)CC(C1CC1)C1CC1	2018136592	MVEVZRPTPCPTMF-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCC[C@@H](CC)C2)CC1	2018915249	FDMSMBAEDZZGMP-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@@]2(O)CCCCC[C@@H]2C(C)C)CC1	2018975061	RECOVLUTVFVNRM-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1(CC)CC1)NCCC	2018999901	NPMZNLGTVBCYFO-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CCN(C)CC1CCC(C)CC1	2019180939	GQKBRAMVDPKOKQ-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccccc1C1CC1	2021025919	GAOYRTBTRWTRLH-CYBMUJFWSA-N	231.383	4.945	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC(C)(C)C(C)C	2023334976	CPRNFORJNZIFMW-OAHLLOKOSA-N	239.447	4.783	0	10	BJAE	
Cc1ccc(-c2cc(C)c(N)cc2C)c(Cl)c1	2024331378	WYTPCNIIERJECV-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
Cc1cc(F)c(F)c(C[C@@H]2C=CCCCC2)c1	2024716367	VDLROXTTXOVKEV-GFCCVEGCSA-N	236.305	4.562	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CCC1(F)CCC1	2025240660	OQURGFKPYRBJMA-CQSZACIVSA-N	243.410	4.559	0	10	BJAE	
CC1(Cc2csc([C@@H]3CCC34CCC4)n2)CC1	2026542677	PYJVHADDBYLYQI-LBPRGKRZSA-N	247.407	4.533	0	10	BJAE	
CCCc1cccc([C@H](O)[C@H](CCC)C(C)C)c1	2028242003	WYTCCMZPQCAJRT-SJORKVTESA-N	248.410	4.745	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1ccc(C2CCC2)cc1	2028264393	PDRXGUGBAPOIBP-SJORKVTESA-N	245.410	4.636	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@@H](CCC)C(C)C	2028265353	RPHFQVLHDZLWLS-IRXDYDNUSA-N	247.426	4.800	0	10	BJAE	
CCN[C@H](c1cccc(C2CC2)c1)[C@@H](C)C(C)C	2028551105	CBCGXDOYUCAJDP-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(CNC2CC2)CC=CCC1	2029835892	IFNMYKNDGMDJOC-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC1(CN2CC[C@@H]2C2CCCCCC2)CCCC1	2031759833	JMUYLRODWDIOOU-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H](NC[C@@]12CCCC[C@@H]1CCC2)C1CC1	2031809094	PBMRUGBIJDDKMO-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@H]1N1CC=CCC12CCCCC2	2032662539	ZCQGLUJBCSMRBI-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@H]1CCCC2(CCCC2)C1	2034370677	KRNYSPPOJKQROH-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@H]1CC12CCCC2	2036130615	WQPMLOVYPXBVQS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)NCC1(C2CC(C)(C)C2)CCC=CCC1	2036175028	GKICWFZBWQVXGL-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@](N)(C1CCCCCC1)C2	2036660868	MGDWEZKZCSBRLW-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
N[C@@]1(C2=CCCCCCC2)CCC[C@H](C2CC2)C1	2037074229	GRZPFYNDFCZSBO-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@]1(N)C[C@@H]1C=CCCCC1	2037272227	SJCBZKSVEQSENJ-VQHPVUNQSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)C[C@H]1C=CCCC1	2037306228	ZKJTXJLQEPWJIA-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C[C@@H](C)CCC(C)C)c1ccccc1	2038128722	PNEQKSVEYKUNFH-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@H]1CCC2(CC2)C1	2038584132	TXSRCWQKAYCCIZ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)NCC1(CCC(C)(C)C2CC2)CC=CC1	2042091177	JIIRHWBSXGACRY-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc2oc(C(=O)[C@@H](C)CC(C)C)cc12	2042600207	WWVCFURWPGAYGT-LBPRGKRZSA-N	244.334	4.606	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCC=CCCC1)C1CCCC1	2045308327	SZEWIVSQZMSVDB-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H]2CCC=CCCC2)c1	2045313784	CKWKSNKVIMGZAK-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C[C@H]2CCC=CCCC2)C1	2045318902	ZLTBTICTNVCMFK-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H]2CNC3(CCCCC3)C2)C1	2045514937	XSZFMGCSWNYBFM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2048364651	AKQHYYCXFTZGFC-MPTYRVRUSA-N	246.394	4.518	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@H]1[C@H]2CCCC[C@H]21	2048446105	GTGFSNJCECDBJT-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2CCCC3(CC3)C2)CC=CCC1	2049949284	XXOOEZBTITWQFG-HOCLYGCPSA-N	246.394	4.662	0	10	BJAE	
CN[C@@H](CCC(C)(C)C(C)C)c1cccc(C)c1	2050455136	BLMCWXTVOCAFPA-INIZCTEOSA-N	247.426	4.718	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)c2ccccc2F)C1	2050495421	UAGJYSDGDUSJKF-LBPRGKRZSA-N	248.341	4.615	0	10	BJAE	
CC(C)(C)C1CCC(C[C@@H](N)c2ccco2)CC1	2050523480	UHTPAENOKBXXLD-JXQTWKCFSA-N	249.398	4.522	0	10	BJAE	
CCCN(C1CCCC1)[C@@H]1CCC2(CCCC2)C1	2050740389	FKJHHIJUDIBYGK-MRXNPFEDSA-N	249.442	4.754	0	10	BJAE	
CCCNC[C@]1(C2CCCCC2)CCCC12CC2	2053356732	LDPDMLQVEQMXAL-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCC1CC(CN[C@@H]2CCCC3(CCCC3)C2)C1	2056731259	QAQSSZLRVWGONV-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC(C)C)CCCC12CC2	2059258600	ICQSKSRJXUJSIQ-BDUNBXCCSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](C[C@H](C)c1ccccc1)NC	2059258913	KNSUYLLFPHQEME-DOTOQJQBSA-N	245.410	4.515	0	10	BJAE	
C=C=CC[C@H](CC1C[C@H](C)C[C@@H](C)C1)NCCC	2059444675	PSKBNXHEBWCULI-BFYDXBDKSA-N	249.442	4.548	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)CC2CCCC2)CC1	2061092649	RHNSGZMXRRPTIO-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccc(NCC[C@]23CCC[C@@H]2C3)cc1	2061573061	VMVFCJPUEVNAKH-WBVHZDCISA-N	243.394	4.802	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CC2CC(=C3CC3)C2)C1	2061708171	ZUJBXBHHCRHTFJ-ATCWAGBWSA-N	246.394	4.518	0	10	BJAE	
CN(CC1CCCCC1)[C@H]1CCCCCC12CC2	2062198557	SFGIYSDGLKPLNN-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063481854	XOYXPNQXWOHZTG-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1F)c1occc1C	2063670801	GLMHVFWPESHSSK-CYBMUJFWSA-N	247.313	4.599	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@H]1CC)c1occc1C	2063677052	FBYYXADQXOBVTD-QLFBSQMISA-N	249.398	4.598	0	10	BJAE	
C[C@@H](C[C@@](C)(N)C1CC2(CC2)C1)C1CCCCC1	2064490115	WUCLTQAYEIHBRB-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1CC12CCC(CC1)CC2	2065334339	CLMJZZGXWQUUSK-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068766985	GAIFRGUKQXGDIA-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2C[C@H]3CC[C@@H]3C2)CC1	2068767579	GAIFRGUKQXGDIA-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(CC(=O)C2CC(C3CC3)C2)CCC1	2071918007	QLYVBUXVXLKZNG-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(F)c(C(=O)CC2(C(C)C)CCC2)c1	2071919273	ZMGCKBIWSFQKFV-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@H]2C[C@H]3CC[C@H]2C3)CCC1	2071920660	YNQASAPKIVFZCI-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@](C)(NCC23CCC(CC2)C3)C1	2072609433	WRBRLRNYNIOYHC-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2ccc(F)c(C)c2)CC1	2072793775	NOSHGZAVBAMJDV-HDJSIYSDSA-N	249.373	4.762	0	10	BJAE	
C[C@H]1CC[C@H](CNC2(C3CCCCC3)CC2)CC1	2072804871	XCSMJCUGGDGGNS-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CC(=O)C[C@@H]2C[C@H]2C2CC2)CC1	2072870282	AIDWNZDVHCXQHZ-SGALNCENSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1OC[C@]12CCCC[C@H]1C2	2074092177	VMAPGIHSLRTBGT-WMLDXEAASA-N	244.378	4.769	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@]12CCCC[C@@H]1C2	2074101577	ONSQSRQSSWICBN-WBTNSWJXSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H](NC)C2(CC3CC3)CCC2)CC1	2074652034	DHFQZPVMAOUWLU-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCCN1CCC[C@@H]1c1ccco1	2075153658	IRKTWZUVLUYMRN-OAHLLOKOSA-N	249.398	4.633	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@H]2C2CCC2)CCCCCC1	2079312444	QAOAKWFUAJEHQC-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1C[C@@H]1C1CCCCCC1	2079528869	KMFJIXCKLOJPNA-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(=C[C@H]1C[C@H]1C1CCCCCC1)CCCCN	2079699505	DFSHJARUGJZMBH-IRXDYDNUSA-N	249.442	4.668	0	10	BJAE	
C[C@H](C[C@H]1C[C@@H]1C1CCCC1)c1ccc(N)cc1	2079708460	ZLCHKPJLMWETGY-ISTRZQFTSA-N	243.394	4.589	0	10	BJAE	
Cc1ccc(OC[C@H]2C[C@H]2C2CCCCC2)cc1	2079803044	LZPDEVSKOXUXQQ-WBVHZDCISA-N	244.378	4.590	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@H]2C[C@@H]2C2CCCCC2)C1	2079843604	RMZMALPGMMTKMQ-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@H](CC)Oc1cc(C)ccc1C=O	2086297748	IFAKRBRYUPKLIZ-OAHLLOKOSA-N	248.366	4.545	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1CC)CC(C)C	2215248865	LQHCMQQJOFPKJJ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC[C@@H]1C[C@H]1CC)NC	2215253680	OVHNMPFHSISWCS-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)NCC1(C)CC2(CCC2)C1	2215318823	MSYIVDLCMIFONY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)CCC1CCCCC1	2215340879	KLWDTLQHSLASAF-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC(N[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218333113	PTEMDGSHCKEKHL-MIFYACCESA-N	249.442	4.514	0	10	BJAE	
CC1(C(=O)CC=Cc2ccccc2)CCCCC1	2219096878	ZUMXPXBKFPAWIZ-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
C[C@H]1C[C@@H](CCCCC2CC2)Nc2ccccc21	2220043719	DUFRUKXVFKFVBR-DZGCQCFKSA-N	243.394	4.945	0	10	BJAE	
CC1=CC[C@@](C)(NCCCC2CCCCC2)CC1	2221600559	KFZKPYZFHKAAQK-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@]1(C)CC=C(C)CC1	2221642572	HFBNOZDJCPVYBL-VYDXJSESSA-N	248.410	4.908	0	10	BJAE	
Cc1cc(C2CCCCC2)ccc1CNC(C)C	2221799928	BOZQRJNBEJBWPV-UHFFFAOYSA-N	245.410	4.541	0	10	BJAE	
Cc1cc([C@@H](C)Nc2ccccc2C)ccc1F	2223919827	CYWXTPKJMHUXDH-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CC=CCCCc1cc(F)cc(C(F)F)c1	2244647915	IBMPSHUZOBLTHI-UHFFFAOYSA-N	228.257	4.662	0	10	BJAE	
CC[C@H](CC[C@@H](C)CCCC(C)C)[C@H](C)N	2244845924	WCGCMHITLJFSEC-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
CCCCC[C@](N)(CC)CCCC[C@@H]1C[C@H]1C	2247161173	YZWVZJAMXPMHDK-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@](C)(N)C1(C)CCCC1	2247176897	SJWNPJWGNDOVEY-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)Cc1cccc(CC2=CCCCC2)c1	2247516411	XCHAIGHPBBXWQU-UHFFFAOYSA-N	228.379	4.928	0	10	BJAE	
CCC(CC)C[C@H](O)CC[C@H]1CCCC12CC2	2247608150	HJTOOVFTYDYOFQ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CCCCC[C@@H]2C[C@H]2C)C1	2248879240	LSDYJHNEISLRJJ-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@@]12CCCC[C@H]1CC2	2251182700	WFRAPBMJZLRSGB-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(CCC2=CCCCC2)c(F)c1F	2251386025	GXNQONMWFUIXSB-UHFFFAOYSA-N	236.305	4.706	0	10	BJAE	
CCC1([C@@H](O)c2ccc3ccsc3c2)CCC1	2253055786	GDLMBDGFUMUJDW-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CC1CC(C)(CC2(N)CC3(CCCCCC3)C2)C1	2253658575	QIXLQPSBIYBFNR-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@H](N)CC[C@@H]2CCCCC23CC3)C1	2253861622	FSBALEGDZHLIQY-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC(C)C1([C@@H](N)CC[C@@H]2CCCCC23CC3)CC1	2253865193	OQKQYDICZIWXFL-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]1NCC[C@@H]1CCCCC12CC2	2253885097	YXZFCLXORKORKH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@@H](C)C1)[C@@H]1C=CCCC1	2253917506	IZPRXNNPVPUWJS-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](CCNC23CCCC2CCC3)C1	2253943447	GEQJWDWUPHYEGO-NJINODPHSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(NCC2CC3(CCCC3)C2)CCC1	2254072749	QABVFVFVRZBXJY-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1(CNC2CC2)CCCC1	2254586949	YTXGPPYQOMCWHN-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CCCCCC12CC2	2254589250	IWOPRZGORVLIPY-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1CCC12CCC2	2255014611	CDTAIEOLDTZIII-AWEZNQCLSA-N	244.378	4.769	0	10	BJAE	
O=C(CC1=CCCCC1)[C@@]12CCCC[C@H]1CCC2	2255060948	BEGJGDGAGXQVHZ-DOTOQJQBSA-N	246.394	4.807	0	10	BJAE	
N[C@@H](CC1=CCCCC1)C1CC2(CCCCC2)C1	2255062426	HQFXLRWVEBFAFK-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)CC2=CCCCC2)CC1	2255206471	YXZVPUWTLANTJC-NVXWUHKLSA-N	249.442	4.778	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@H]1CCCC12CC2	2255232160	FBNXIOPVUNRYKB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C[C@H]1CCCC12CC2	2255330341	MNNGXVPUIKMPMA-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
OC1(CC[C@@H]2CCCCC23CC3)CCC=CCC1	2257918983	SHRVVTSGCWRKIB-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)CNCC[C@H](C)c1ccccc1	2259464712	RXZYSTHFMGLMLZ-JKSUJKDBSA-N	247.426	4.596	0	10	BJAE	
C[C@@H](CC1CCC1)C1(CN)CCCCCCC1	2298845808	WDRPAYOWVAVBGI-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCCCCC[C@H]1N	2300687007	XEKSRSRERNDSFH-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@H](CNC1CCC1)C(C)C	2300687614	DTOUVAHIPHMOPF-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(=CCNC1(C)CCCC1)CCCC(C)C	2300867637	OEIHHFFADHUSRT-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC(=CC[C@@H](C(C)C)[C@H](C)N)CCCC(C)C	2300902516	VJYRLJFNUJKWIC-HOTGVXAUSA-N	239.447	4.769	0	10	BJAE	
CC[C@H](C)[C@](C)(O)CC=C(C)CCCC(C)C	2300913335	DWNRIOQBHQCGGD-JKSUJKDBSA-N	240.431	4.946	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CCC[C@@H]1CC=C(C)CC	2300926028	IIJKZJKHANWCGA-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(=CCc1cccc(C)n1)CCCC(C)C	2300928734	IOQMJTATODONRE-UHFFFAOYSA-N	231.383	4.705	0	10	BJAE	
CCc1ccc(OCC2CCCCCC2)cc1	2301138064	QBCMKRHSFNJEQS-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CC[C@](CNC)(CC1CCCCCC1)C(C)C	2301187703	DABFDBIZMZNSGN-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C[C@](CO)(CC1CCCCCC1)C1CCCC1	2301242652	UTWQKRJIHSHEML-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)[C@H]1CCCCC1(C)C	2301985042	XFFRBWRWCKZZBC-ZNMIVQPWSA-N	239.447	4.568	0	10	BJAE	
CC(C)CCCc1ccc(F)c(C(F)(F)F)c1	2302230135	DBVJIOIIDCLDJQ-UHFFFAOYSA-N	248.263	4.823	0	10	BJAE	
CCCC1([C@H](O)CCCC2=CCCCC2)CC1	2302337519	YIAFYFPLSRMNAT-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
Cc1ccsc1[C@@H](N)CCCC1=CCCCC1	2302343253	SMMVRTXMTLVRLE-AWEZNQCLSA-N	249.423	4.727	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC[C@@H]1CCC(C)(C)C1	2304446310	HHOXVDKEKVRGHL-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H]1CC[C@@H]1CC(C)C	2307752307	PWMXYTSEHUEBLS-XHSDSOJGSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)[C@H]1CC1(C)C	2307892704	FQDONOBSSVHVJV-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H](N)C[C@H]2CCC[C@@H]3C[C@@H]32)CCC1	2310752970	UJPCTHNAQUBMMC-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1C[C@H]1C1CCC1)C1CCCCC1	2311475685	ZSGSDNVRLMZMKG-VBNZEHGJSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H]1[C@@H]2CCCCCCCC[C@@H]2C12CCC2	2311921439	YIMGGHBQCUYSTH-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)[C@]12CCCC[C@H]1CC2	2313310296	YUVSQAHFUXLVGB-ZJOBFFGXSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NC(CC1CC1)CC1CC1	2313584837	SIDXTFNIWYSLBI-DOTOQJQBSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(N)(CC2CC2)CC2CC2)C1	2315440547	URVIIVNVJDYERY-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CC[C@@H]2C[C@@H]2C1	2316511150	RAUOOCAYOLBCOR-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(=CC=C1CCNCC[C@@H]1C)CCCC(C)C	2316536209	LAKMVUXTWDHBCP-INIZCTEOSA-N	249.442	4.705	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]21	2316880287	IZWUBSHEPWMDBD-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]21	2316884265	KUUXAEBZLORFPB-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(C[C@@H]2CCCC[C@]23CCNC3)CC1	2317001793	NJPXHQNKAPAOMA-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@H]1CCCC12CC2	2317015065	FJPMJSFITUDHAB-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@H](CN(C)CCCC2=CCCCC2)C1	2318579475	SQQFZXAKSYZFBM-RDJZCZTQSA-N	249.442	4.635	0	10	BJAE	
COc1cc(F)cc(CCCC2=CCCCC2)c1	2318581730	ZUMCYCMBZWYGAS-UHFFFAOYSA-N	248.341	4.657	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2	2318588477	ZWXBCMMQRKXYST-HRCADAONSA-N	246.394	4.662	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)C1)[C@@H](N)c1ccccc1	2319314108	SLTAQGBKHIBPEI-IIAWOOMASA-N	245.410	4.539	0	10	BJAE	
CC[C@H](C1CCC1)N(C)C[C@@H]1CCC(C)=C(C)C1	2320335173	ASXJESVZWZFRPI-NVXWUHKLSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CCCCCCCC2)CC1	2320390528	KXFDYNVVENGZTJ-KRWDZBQOSA-N	249.442	4.779	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1cc(C)ccc1C(C)C	2327681106	IXAFBDDZLQTVBG-ZIAGYGMSSA-N	244.378	4.737	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC23CCC3)c1F	2327804482	QJYZROUHZVQZHI-AWEZNQCLSA-N	247.357	4.694	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@@H](C)c1ccccc1	19230333	ZKWGQOQYGBPQTI-HZPDHXFCSA-N	247.426	4.596	0	10	BJAE	
CCC[C@H](C)N[C@@H](CC(C)C)c1ccccc1	19232815	GRGMIPGNHFEOCR-HOCLYGCPSA-N	233.399	4.552	0	10	BJAE	
CCc1ccc(N[C@@H](C)c2ccc(C)cc2)cc1	21800138	LFPNZLFOCWLDSG-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
CCCC[C@H](O)c1ccc(C2CCCCC2)cc1	36171587	PGZOELZRZDLJFH-KRWDZBQOSA-N	246.394	4.958	0	10	BJAE	
CCCc1ccc(C(=O)CC2CCCCC2)cc1	37356970	HAUFTTBUIQJVQE-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CC(C)n1c(-c2ccccc2)cc2ccccc21	38875560	IKHCGFKCBKWMQG-UHFFFAOYSA-N	235.330	4.889	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@@H](C)C(C)C)cc1	70126069	BHZQVZFNYYYPTL-HEHGZKQESA-N	234.383	4.526	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](CC)NCCC	71083959	UNKCCVMIVWYDBI-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)c1cccs1	71085135	IWPCCRZVDDYQHY-CHWSQXEVSA-N	239.428	4.615	0	10	BJAE	
CCC(=O)c1c(C)c(Cl)c(C)c(Cl)c1C	83161632	NAVPLHOCBLPVQZ-UHFFFAOYSA-N	245.149	4.511	0	10	BJAE	
CCC[C@H](C)CNc1c(Cl)cccc1Cl	83374706	VYRYWNLRQBJKFV-VIFPVBQESA-N	246.181	4.842	0	10	BJAE	
CC(C)[C@H](C)N[C@@H]1CCC[C@H](C(C)(C)C)CC1	86955247	ULCUCNUUXCBBHC-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](C)CC1(CN)CCCCCCC1	87690086	MLURNVKESROXRA-CQSZACIVSA-N	225.420	4.502	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CC[C@H](CC)C1	88011351	LUVWPGGZLRQMRP-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
Cc1cc(C)c(C(=O)C2CCCCCC2)s1	88047274	ZFRITMZMUNEYPH-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCC[C@H](N[C@H](CC)CCC)c1ccccc1	103987309	BBCVMAKYGGTCDM-CVEARBPZSA-N	233.399	4.696	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O	109996727	BKZMEICOPWJNTE-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)(C)C)c1cc(C)ccc1C	111647745	YLEJPWANGXGGHF-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
Fc1ccc(-c2ccc(F)c3ccccc23)cc1	112733514	FMYLMQSUEXPMEL-UHFFFAOYSA-N	240.252	4.785	0	10	BJAE	
CCCN[C@@H](CCC(C)C)c1cc(C)cc(C)c1	112894634	HTXSWPYJTUNUKA-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCCc1ccc([C@@H](C)NCCC(C)(C)C)cc1	123880988	WGHOVASNEAWJER-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](CC(CC)CC)c1cccs1	128037052	IEFCUTAHAOSYFU-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](NC)C1CCCC1	133068383	RSTGWZBWIXCGEQ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](NCC)C1C(C)(C)C1(C)C	158528921	YQQWZLHKQXGFCU-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC1CCCC1)c1cccc(C)c1C	163496528	IICHBNRGIIMMNZ-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)C1CCCC1	168034704	YJFVHVUEPVSMND-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](CC2CCCCC2)C1	203295378	KEBLRMJIJYBTOC-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](CCC)c1ccccc1	212686445	QMOHCHJLNJXMFC-IRXDYDNUSA-N	247.426	4.739	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](CCC)CCCC	225982731	NPXBHODVSOODFN-GJZGRUSLSA-N	227.436	4.904	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)[C@@H]2CCCCC2(C)C)c1	226543738	NLBBJUDWLSEUIF-JKSUJKDBSA-N	245.410	4.520	0	10	BJAE	
CCCCC[C@H](NCCC)C1(C)CCCCC1	232961961	HCPFNWQWZHAPMI-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@@H](CC)Cc1ccc2c(c1)NCCC2	233000600	TVQVJXIQFIWIBL-CQSZACIVSA-N	245.410	4.804	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@@H]1[C@@H](C)CCC	233075648	GPSUQEXTIMKXSD-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCC1(CN[C@@H](C)c2cc(C)oc2C)CCCC1	233082822	JIMSKIHTCBGXFL-ZDUSSCGKSA-N	249.398	4.517	0	10	BJAE	
Clc1cccc2c1NC[C@H]2C1CCCCCC1	236068965	KQQBOZOTRGRPDC-ZDUSSCGKSA-N	249.785	4.820	0	10	BJAE	
CC(C)(C)[C@@H]1c2cc(Cl)ccc2CC[C@@H]1C#N	260586661	MGLRFFVJXONXBF-RISCZKNCSA-N	247.769	4.556	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@H](C)CCC)CC1	300344293	CPQUAVVAFAHUNK-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
Cc1cc(C)c([C@H](O)CCCC(C)(C)C)c(C)c1	302322157	QRQHDJYYWBHCSF-OAHLLOKOSA-N	248.410	4.862	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)c1cc(C)c(C)o1	302393242	NYTBFHGQHNCMSR-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
Cc1oc(C)c([C@@H](N)CCC2CCCCC2)c1C	305921390	HYJRMWDEOVERBB-HNNXBMFYSA-N	249.398	4.565	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(O)CCC[C@H](C(C)C)CC1	306101998	PYEQNVCPXOMJEX-JYJNAYRXSA-N	240.431	4.636	0	10	BJAE	
CCc1csc2c(Cl)c(SC)ccc12	307174341	UCQPFCBMLVJRCI-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)c1csc(C)c1	308020697	JODHWKOKROSTTD-GXTWGEPZSA-N	240.412	4.552	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@@H](C)CC(C)C	308059323	VXIOWGUILCJRJE-KBPBESRZSA-N	226.404	4.700	0	10	BJAE	
CCCc1ccccc1[C@@H](N)[C@H](CC)CC(C)C	308069026	PSXUJKXHVYWDJO-PBHICJAKSA-N	247.426	4.711	0	10	BJAE	
CCCN[C@H](CC1CCCC1)CC1(C)CCC1	310135587	LWVOJGIOYKSNCA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCc1nc(-c2cc(C)c(C)cc2C)cs1	310246985	WFFRUUMFSWMZMY-UHFFFAOYSA-N	245.391	4.688	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC2CC2)(CC2CCC2)C1	317563865	CPRQYITWJJUOMF-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@]1(CNC(C)C)CCC[C@H]1C	317662104	VUWSTOAKMZVHIQ-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](Nc1ccc2[nH]ccc2c1)C1CCC1	322293831	RVCYMEQHIJJWTO-MRXNPFEDSA-N	242.366	4.549	0	10	BJAE	
CC[C@@H](N[C@H](C)c1cc(C)ccc1C)C1CCC1	322468339	NRIDJJLMXNWZPN-RHSMWYFYSA-N	245.410	4.533	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C(C)(C)C2CCC2)cc1	322772230	JMEGKCBAIBUEHY-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
C/C(=C/c1cc(F)cc(Cl)c1)[C@H](C)Cl	379532830	ZYTHAMZBZRDXMT-PFPYCLJUSA-N	233.113	4.510	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC1CCC(C)(C)CC1	379731907	WKUNXHOXNNXPCU-ZDUSSCGKSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1C[C@H](C)c2ccccc21	381411790	YVCJSFSIUTWJSM-DCGLDWPTSA-N	245.410	4.649	0	10	BJAE	
Cc1ccc([C@@H](O)CCCCCC(C)C)s1	383135070	LJDRVLAQLJCPST-ZDUSSCGKSA-N	240.412	4.696	0	10	BJAE	
CC(C)CCCCC[C@@H]1C[C@@H](C)CC[C@H]1CN	383214264	QKAGOBUPPDXQKI-XHSDSOJGSA-N	239.447	4.604	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C1(C)CCCCC1	383234049	UJLYFAXOQSTKRN-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
Cc1ccc(C2(C)CCCCC2)cc1C	383407756	CBUXGBOTQMASBO-UHFFFAOYSA-N	202.341	4.525	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](O)CC1CCCCC1	383892664	VCDBSQVMLREUCK-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](c1cocc1C)C1CCCCCC1	385326553	PBTNCNHCBOQGLB-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCCC12CCCC2	392787246	JUAPYNWCENBZIL-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCc1cccc(C)c1NCC1(C)CCCCC1	394544313	CXWCDFOLMIUUBJ-UHFFFAOYSA-N	245.410	4.940	0	10	BJAE	
Cc1cccc(NCCCC2CCCCC2)c1F	395150480	IEWRNNSZYUBDMU-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
Cc1cccc(NCCCC2CCCCC2)c1	395275417	WXIPNZAHQXFUQH-UHFFFAOYSA-N	231.383	4.767	0	10	BJAE	
CCC[C@H](NCCCCC(C)C)[C@H]1CC1(C)C	397724201	YCULTZXVOUPPDE-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)(CC[C@H]1CCc2cc(N)ccc21)C1CC1	406049218	ZXTREXWLJRQOPO-GFCCVEGCSA-N	243.394	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCC(C)(C)C1=CCCC1	691074063	SBGFDBJAVDBFCQ-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1CC2CCC1CC2)C1CCCCCC1	691705320	UBIPHEYHSUMCPD-XUJLQICISA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)[C@@H](C)C2CCC2)cc1	692675358	UOAFXBQRSJQZPO-DCGLDWPTSA-N	245.410	4.636	0	10	BJAE	
C1CCCC(CCNC[C@]23CCCC[C@H]2C3)CC1	693552806	ZZTBXZYMQYOQHG-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
C[C@H]1C[C@@](N)(CCCC(C)(C)C)c2ccccc21	707763140	RYEQBXJGQOTVCC-GUYCJALGSA-N	245.410	4.564	0	10	BJAE	
C[C@@H](CC[C@H](O)c1ccccc1)CC(C)(C)C	709077571	SNDHHEZQFUMQDS-ZFWWWQNUSA-N	234.383	4.573	0	10	BJAE	
C/C(=C\CCNC(C)C)C[C@@H](C)CC(C)(C)C	709084744	MVDVHJXLACEDQX-AAWPKVBNSA-N	239.447	4.783	0	10	BJAE	
CCN[C@H](CC[C@@H](C)CC(C)(C)C)C(C)(C)C	709101670	BVWRBRWTUNGLKD-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)C[C@H](C)CC[C@@H]1C	709138482	ALYVOXVDKIHRLD-HOSILWTGSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)CC[C@@H](C)[C@H](C)C1	709142089	JBGQWVBOXDFXFT-IXYNUQLISA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCC[C@](C)(O)[C@@]12CCCC[C@H]1C2	709171901	YUAOETJEBBFYKJ-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@]1(C[C@H](C)C(C)(C)C)CCCCCN1	710765567	MLKYTMXJEMZZRE-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C[C@@H](CC)C(C)(C)C	711073762	RKAXPUYOSFBEPA-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@@H](CC)C(C)(C)C	711101574	CCPMVDWPZIPSQO-ZIAGYGMSSA-N	227.436	4.602	0	10	BJAE	
C[C@@H](C[C@H](F)c1cccc2c1NCC2)C(C)(C)C	711131399	WYTJGNGFVGQMDW-FZMZJTMJSA-N	249.373	4.738	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCC[C@@H](C)CC1	711281954	YWKVQAGPMBGQEI-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
C1CCC(CN[C@H](C2CCCC2)C2CCC2)CC1	711830962	HKMFXDORNBKIEW-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2C[C@@H]3CCCC[C@H]32)cc1	712414870	AHROJUKROWHOBP-USXIJHARSA-N	243.394	4.801	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC(C)(C)C(C)C	713142204	HSZNTNVGQDYKTE-CABCVRRESA-N	241.463	4.848	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CC(C)(C)CC)NC	713240716	DHDLOLYDYMPQAJ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCC(CCC)[C@H](CCC(C)=C(C)C)NC	718604259	UTEKKUDWRGMQOQ-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CN[C@@H](CCCCC(C)=C(C)C)c1ccccc1	718654614	UHYPCYYAYZRXPM-KRWDZBQOSA-N	245.410	4.864	0	10	BJAE	
CCC[C@H](C)[C@](O)(CC)CC1CCCCC1	720977149	MABZFNVRBSWEJB-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](CC1CCCCC1)Nc1cncc(C)c1	720982940	CMVKTHFXXVBDRK-OAHLLOKOSA-N	246.398	4.551	0	10	BJAE	
CCC[C@H](NCc1cc(C)cc(C)c1)C(C)(C)C	1194425252	BXJNSWBAQDGFGG-INIZCTEOSA-N	247.426	4.608	0	10	BJAE	
C1CCC(N[C@H]2CCCCC23CCCCC3)CC1	1875413432	BGDWBLGSKRCILK-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)CCC1=CCCCC1	1901688863	LXLFTYIDGSYFGC-OLZOCXBDSA-N	222.372	4.518	0	10	BJAE	
C=CC=CCCc1cc(C)ccc1C(C)C	1905153353	OQFZGLNEEOMGDQ-UHFFFAOYSA-N	214.352	4.793	0	10	BJAE	
CCCCCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906539727	TYJQMJGJBDWKJG-SOUVJXGZSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C=C1[C@@H]2CCCN[C@H]2C1(C)C)CC	1911824372	VJQFGQNHKFOWGX-IJEWVQPXSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@](O)(CC)CC1C[C@H](C)C[C@@H](C)C1	1919486547	VKWYEIJGXQRHIB-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CC(C)Cc1ccc([C@@](C)(O)CC(C)(C)C)cc1	1919649421	OUARQZGJRVGKMF-KRWDZBQOSA-N	248.410	4.529	0	10	BJAE	
CCC(CC)CC1(CNC(C)C)CC(CC)C1	1921211807	HBOBVMKCRITYJV-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC1CC(CN[C@H]2CCC23CCCCC3)C1	1921225262	MCYKZFQBFDUQTP-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCCc1cccc(C(=O)C2CC(CCC)C2)c1	1921276957	GYDQNBDPNNTDGV-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC1(C)C[C@H]1CCN[C@@H]1CCCC2(CCCC2)C1	1921580929	SOYJYGQPNGXCEZ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@@H](N)CC1(C)CCCCC1	1926388231	VJROJUKABPDFNU-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CC1(C)CCCCC1	1940418047	ZBURAJJXBQEUHT-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCCCNCCCC1(C)CC1	1940872620	NQNAOSVYFJKJRZ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C(=O)c1cccc2ccsc12)C1CC1	1941141331	JRUOLWSRPREBEU-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CC[C@H](CNCC1(C)CCCCCC1)C(C)C	1941935585	TWSNECARYYXJOI-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)C[C@@H](C)CC(C)(C)C1	1942665181	WDBYUOBVZOVFBO-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@@H]1NC1CCCCCCCCC1	1947880408	GAAAKRBMOXPSBQ-HNNXBMFYSA-N	237.431	4.658	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CCC(F)(F)CC	1947999022	YOUIMYCETJIOPW-OLZOCXBDSA-N	249.389	4.602	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)C1CC(C)C1	1948145788	BHCGTFKVNLFQND-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)CCCC1(C)CC1	1949055680	RVQPRFAJHQCBPZ-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@@H](C)[C@@H](C)CC	1949862864	VXXXBPALCCIEGM-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1CCC[C@@H](C)CC1	1950922106	LQQFVFGBLAJQCV-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(OCCC)cc1	1951309072	UEPYWXJHSGNMRV-CQSZACIVSA-N	232.367	4.935	0	10	BJAE	
CC(C)(C)CCCCC(=O)c1cccs1	1961238236	WGMQBXXPOWMKIU-UHFFFAOYSA-N	224.369	4.537	0	10	BJAE	
Cc1ccc(C)c(OCC2C[C@@H](C)C[C@H](C)C2)c1	1968307557	LUADOUGRXJUVCT-KBPBESRZSA-N	246.394	4.755	0	10	BJAE	
Cc1ccc(-c2nc(CC(C)C)cs2)c(C)c1	1968436442	RTBXKBPCKRFKFV-UHFFFAOYSA-N	245.391	4.625	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@@H]1CC(C)C	1968528371	QFUYNDQSNFNHBF-NVXWUHKLSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)C1(C)CCC1	1981368780	GGUOYNGSOGCQMF-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)C1(C)CCC1	1981368781	GGUOYNGSOGCQMF-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@](C)(O)C=C1CCCCC1	1983487896	NNFNWYPYNLWPQS-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CCCC1CCC(CC[C@@](C)(O)CC)CC1	1989809427	GGEHTLJODLZOBO-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CCCC1CCC(CCCC(=O)CC)CC1	1989839199	OIWPAQRCPADNEC-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cc(Cl)ccn1	1990128354	YMTGCTMWTROCIA-GFCCVEGCSA-N	240.778	4.506	0	10	BJAE	
CCCCCc1ccc([C@@H](CCC)NC)s1	1991770950	FOVGKBZJPOUSID-CYBMUJFWSA-N	239.428	4.541	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CC[C@@H](C)C1	1995210455	IRLGWMAYDVOENB-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CCCCc1nc(C2CCCCCC2)cs1	1995498918	VSBLEPATFGUCOK-UHFFFAOYSA-N	237.412	4.924	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@@H]1CC[C@@H](C)C1	1996260815	RDJUNBLUYKEKEZ-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@]2(O)CCCC(C)(C)CC2)C1	1996263588	AZYDSEVGRBZGJP-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@H]1CCC[C@H](C)C1	1996548607	RSRKDEHSOWIAPM-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C1CCC(C)(C)CC1	1996560607	GABBZKYTTYVYLP-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)N[C@@H](CC)C1CCC(C)(C)CC1	1996594190	KDLUTUGLZMKROH-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CCC[C@@H](C)CC1	1997115722	IEBNMBAMYYMBPX-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)c1sc(C)cc1C	2000381322	CXWZMBPPMXVAFO-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CCCC[C@@](CC)(CC=C(C)C)CNCCC	2000498665	BMEGHYGBKUGHJY-INIZCTEOSA-N	239.447	4.929	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCCCCC1(F)F	2000763380	HCLLOUMCEGAGIE-GFCCVEGCSA-N	246.341	4.742	0	10	BJAE	
CC(C)(C)C[C@@]1(N)CCCCC12CCCCC2	2001569854	ZJDOXBIUTXYCEX-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2CCC[C@@H](CC)CC2)C1	2002319652	HLQJFWZLGDPVMU-FEWQNLEASA-N	236.399	4.598	0	10	BJAE	
CCCCC1CCC(C(=O)CC2(C)CC2)CC1	2002510201	WPTOJGCHLFDYCU-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](C)C(C)=CC1CCC(CC)CC1	2002889959	XXPXPGXTLWEAKD-FHERZECASA-N	237.431	4.537	0	10	BJAE	
N[C@@H](CC[C@@H]1CCC=CCCC1)c1cccs1	2003686827	YTXRYXLQLRIBGY-KGLIPLIRSA-N	249.423	4.665	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2CCC[C@@H]2C)CC1	2004343174	ZJMDICOJMSJDTB-FXQLRMTLSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CNc1cc(C)ccc1C	2004705165	FRGCLVUHFKDUFE-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CC1=C[C@H](N[C@@H](C)c2cc(C)sc2C)CCC1	2006903541	AIJVSSARKZNTPH-GXTWGEPZSA-N	249.423	4.514	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC)C1(C)CCC(C)CC1	2007691028	LUTFGRYZEQYAPE-FYRZTWFESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](O)C1(C)CCC2(CC2)CC1	2007693536	QXXFSLSYEMKFFV-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1(C)CCC(C)CC1	2007698594	UGFVRYZONJGLQC-NPCAHTBFSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1CC(C2CC2)C1	2007750054	SKGQLRMNADKXBJ-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CCC2(C)CC2)CC1	2009553178	XNOATNZWPUKONS-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCCN(C)[C@H](C)C1(C)CCCCC1	2009579553	UPTHXIHGLQSMNJ-LLYBFZRZSA-N	237.431	4.633	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC(C)(C)[C@@H](NCC)C1	2009619617	NEVLEFLJZOHQMO-ZWXLGZMVSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(O)(C[C@@H](C)C(C)(C)C)C1	2009714366	OVJBWUCSPGNJNG-VQCLRJIVSA-N	240.431	4.780	0	10	BJAE	
CC[C@](O)(C1=CC[C@H](C(C)C)CC1)C(C)(C)C	2010714580	IOTMQZFMNVCJCX-BBRMVZONSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@](C)(N)C1=CC[C@H](C(C)(C)C)CC1	2010729620	PXZMVLPZQJIFQJ-XJKSGUPXSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@@H](N)C1=CC[C@H](C(C)C)CC1	2010760377	AXGGRHDEZCLOMQ-GOEBONIOSA-N	237.431	4.523	0	10	BJAE	
c1ccc2c(CC3CC(=C4CC4)C3)csc2c1	2011088028	CZWGUGKTUUWANY-UHFFFAOYSA-N	240.371	4.944	0	10	BJAE	
CCCCC[C@@](C)(O)C1CC2(C1)CC(C)(C)C2	2012117027	XVWQPDAXJAOKHF-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@](CC)(CNC(C)(C)C)C(C)C	2012439834	KPQKDSZCVMFQEI-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@@H](O)CC12CCC(CC1)CC2	2012816830	ATPYTMCFRUAVAS-HWOWSKLDSA-N	238.415	4.678	0	10	BJAE	
CC(=O)c1cscc1-c1cccc(C(C)C)c1	2013669273	ZPJHVGGJWHNQFV-UHFFFAOYSA-N	244.359	4.741	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)C)C1(C)CCCCCC1	2015275928	ULULOLIMYMJKNA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CC(C(C)C)C(C)C	2015282499	WAKBAZGDXOFAJO-GOEBONIOSA-N	242.447	4.738	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@]1(C)C[C@@H]1C	2016466513	HTLHQGOFWACUDI-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)CC1(C(C)(C)C)CCC1	2017121024	KCAHTDCENDYDCX-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@H](NC)[C@H]1CC[C@H](CCC)CC1	2017655062	JXDZVTXNPXCAAX-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@H]2CC)CC1	2017722491	QCJXKLCZQWPFLJ-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@H]1CC[C@H](CC)CC1	2017796523	GJCNVJFOOYJFRM-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CCCC1CCC1	2018188667	OKKOOHQVTKVOIX-MRXNPFEDSA-N	239.447	4.857	0	10	BJAE	
CCCCCCN(C)[C@@H]1CCC[C@@H](CC)CC1	2019290531	KEFFHGBRZSTBKV-HZPDHXFCSA-N	239.447	4.857	0	10	BJAE	
CCC(CC)CN(CC)CCCCCC(C)C	2019340743	RQVJUEIEUCKQRL-UHFFFAOYSA-N	241.463	4.961	0	10	BJAE	
CCCN(CC(F)=C(C)C)C1CCCCCC1	2020500910	FKOCZTQIULTREB-UHFFFAOYSA-N	241.394	4.685	0	10	BJAE	
CC(C)=CCC(=O)C[C@]1(C)CCCCC1(F)F	2023336003	LJPRHISFXNIALC-ZDUSSCGKSA-N	244.325	4.518	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2024092105	OCQLFMVJXUGHHZ-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(C)c2[nH]c(C3CC(C)(C)C3)cc2c1	2024288907	FHZCPPINOLWXOW-UHFFFAOYSA-N	227.351	4.688	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCNC12CCCCC2	2024621677	APATZMRCPHBFTR-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](CCC1(F)CCC1)NCC	2025277280	LCJMQNVXIGNVCD-CQSZACIVSA-N	243.410	4.607	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1cc(C)oc1C	2026075576	XKRVPCANMKDZHH-IAQYHMDHSA-N	237.387	4.503	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CCCCF)NCC	2026164560	UOWHMKUQXSRUPG-LSDHHAIUSA-N	245.426	4.711	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@]12CCC[C@@H]1C2	2026170643	REKMBHUNRZAKFT-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CC1(CC[C@@H](O)c2ccc(C3CCC3)cc2)CC1	2027734326	CPIITARZOBUHMD-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)c1cccc(C2CC2)c1	2028561843	DPDYWOPLSHYCDT-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)c1ccc(C2CC2)cc1	2028594366	WKQYKXANFUCBEG-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1CC[C@H](NCC2(C3CCCCC3)CC2)C1	2029741833	JZBNSBFGOHWHAI-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)c1cc2ccccc2o1	2029838442	SEQVATGDWYQBRD-MLGOLLRUSA-N	245.366	4.505	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)c1ccc(C)cc1C	2029965626	AIHICRQOMNVJQM-XJKSGUPXSA-N	247.426	4.780	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)C(C)(C)C1CCCC1	2032302388	WXMNXIRRCPBEJM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](c1ccc(C)c(C)c1)C(C)(C)C(C)C	2032347295	VZSMXPKYDGUIPL-MRXNPFEDSA-N	247.426	4.636	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@@H]2CC[C@@H](C)C2)cc1	2033404321	SNVMGBWSGRBSTJ-CZUORRHYSA-N	244.378	4.504	0	10	BJAE	
CC(C)c1ccccc1C1(N)CCCCCCC1	2035547627	RBEAEILTVCYGHL-UHFFFAOYSA-N	245.410	4.708	0	10	BJAE	
CC(C)CC[C@](N)(C1=CCCCCCC1)C1CC1	2037074089	ASHKZVYRIVHEEY-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)[C@H]1CCC2(CCCC2)C1	2037678963	ODQBWAUEEYGZDW-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)CC1CC2(CCC2)C1	2037980576	ZWEWIEJCEYQTSE-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)c1ccccc1)C(C)C	2038071522	IYCSLLOOXNQIDJ-WBVHZDCISA-N	247.426	4.595	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CC1CC2(CCC2)C1	2038086032	RARPUULAGIHCDW-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CNC2CC3(CCC(C)CC3)C2)CC1	2038932326	CAROOPRSTBJOKF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CNC[C@]1(C[C@@H]2C=CCC2)CCCC(C)(C)CC1	2039384976	KRPPTZQNALAGCB-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)C1CC2(C1)CC1(CCC1)C2	2039462631	VLOCYXHLNUWGMK-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCCC[C@H]21)C1(C)CCCCC1	2039859738	OOHFMBWDMMDAKU-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2(C)CCCCC2)c(F)c1	2039861980	JXMNTPMOKZRBLT-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
C=CC=CCC[C@]1(N)CCCC2(CCCCC2)C1	2040764521	DHRVETXECMXWHB-KRWDZBQOSA-N	247.426	4.731	0	10	BJAE	
CCC1CCC([C@@]2(N)CCCC3(CCC3)C2)CC1	2041289118	FZDGUSWRBNSOPJ-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(NC[C@]2(C)CC=CCC2)CC1(C)C	2042335988	AZSMTVHZXFXGTG-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C(C[C@]2(N)CCCC3(CCCCC3)C2)[C@@H]1C	2043454150	JGYLSVFHHQGFFC-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC=CCCC2)CC[C@H](C)C1	2045319876	HXFCLXREVXXBKU-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC1(C)C(C)(C)C1(C)NC[C@H]1CCC=CCCC1	2045324760	YPSIVEBPCWOMAE-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CN([C@H]1CCCC(C)(C)C1)[C@@H]1CCCC2(CC2)C1	2045523362	XRQKYJODGZWQPX-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@@H]1C(C)=CCC[C@@H]1C	2045748589	LVKUGNBFOOJKHF-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CCC(=O)C1[C@H]2CCCCC[C@H]12)C1CC1	2048364769	BNDCKVBXUGHNFV-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1O[C@H]1[C@H]2CCCCC[C@H]21	2049200640	KOEJIVVZQNXWRV-SCAQPMJSSA-N	244.378	4.768	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC2CCC=CCC2)C1	2049515352	QIBLMBVKIWAMNL-OAHLLOKOSA-N	248.410	4.908	0	10	BJAE	
CC1(CC(=O)[C@@H]2CCC3(CCCC3)C2)CCCC1	2049803683	DGSAHUYGCPEEMN-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)[C@]1(C)C=CCC1	2050008012	RZMSDUSQMYIAIM-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCN1CCCC[C@H]1C1CCCC1	2051672114	QXYDSFLMLDKDLP-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@H]2CCCCC23CC3)CC1	2053309212	NYVBKVVBLPPVSC-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
O[C@H](C1=CCCCCCC1)[C@@H]1CCCCC12CC2	2053367962	QNPSDENNYXWPBF-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C1CCC1)[C@H]1CCCCC12CCC2	2053413460	XJPUBCVWAPUSFH-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC(C)=C1C)c1ccccc1	2055538267	APKYAUSUXRKAOT-DLBZAZTESA-N	243.394	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H]2CCCC(C)=C2C)C1	2055550919	VODVWNGRKVNRII-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
FCc1ccc(N[C@@H]2CC[C@H]3CCCC[C@H]32)cc1	2055666964	GUKJISOHGHEIFM-FVQBIDKESA-N	247.357	4.537	0	10	BJAE	
CC(C)c1ccccc1NCC1CC(C2CC2)C1	2056727582	KDIMMHCOMDOFHB-UHFFFAOYSA-N	243.394	4.658	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H]2CC3CCC2CC3)CC1	2058991079	GTXNTTLULYRHTR-VLSVSDDBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H]([C@@H]2CCC3(CCCC3)C2)CC1	2059003646	PRYGBNQJJDEKIK-ZNMIVQPWSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@@H]1CCC12CCC2	2059179062	YAQTZLNELWCEKB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCC(=O)C1CC2(C1)CC1(CCC1)C2	2059205488	GYPHPWHANMJORO-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCCCCC1CC(NC2[C@H]3CCCCC[C@H]23)C1	2059394294	SRDJVIRKZLZAAO-CKUJCDMFSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCN(C)C1CC2(C1)CC(C)(C)C2	2061106067	OAKZUJIUAYXHAJ-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)[C@H]2CC[C@H](C)CC2)CC1	2061139677	HTQRAFPOKNZPQC-ANQUJSFKSA-N	249.442	4.523	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1CC(=C2CCC2)C1	2061699873	QSYIMAGEYXUEPK-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C(=O)CCC[C@@H]1C[C@H]1C)c1ccccc1	2062636750	DZVAAJMNDWTSQL-BMFZPTHFSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cc(O)c(C)cc1C	2065468427	JFVMACJFKFDNGY-BXUZGUMPSA-N	249.398	4.636	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]21)C1(C)CCCC1	2067515982	BIDRLZLTBGRXTQ-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C[C@]23CCC[C@@H]2C3)CC1	2072704704	QJDVKNRRHBBIND-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C[C@@H]2CCC23CCC3)CC1	2072875567	PKFPLZQVVIVDBL-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CC[C@]12CCCC[C@H]1C2)CC1CCCC1	2074031248	XSJJKKCNNYJGHC-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=C2CCNC3(CCCCC3)C2)C1	2074136351	SKIUGVZRIHIIMW-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCCC1(C[C@H](NCC)c2ccccc2C)CC1	2074643296	CZMXGYAVEXXYMY-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCc1cccc2ccn([C@@H]3C=CCCCC3)c12	2075406706	CIFADOXVHOOCKC-MRXNPFEDSA-N	239.362	4.875	0	10	BJAE	
C[C@H]1CC(Nc2ccccc2C2CC2)C[C@H](C)C1	2077262868	ZBENYHJGMADPJI-CHWSQXEVSA-N	243.394	4.801	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1C[C@@H]1C1CCCC1	2079434516	HVDITBDTYYCCCW-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CCC)[C@@]1(C)C=CCC1	2079645152	PKZIJODBOKZGEE-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(OC[C@@H]2C[C@H]2C2CCCCC2)c1	2079803000	LUNOZHHVINBKLY-RDJZCZTQSA-N	244.378	4.590	0	10	BJAE	
CCCCN(C[C@H]1C[C@H]1CCC)c1ccccc1	2079892177	YIYBNVKAQAXZKG-HZPDHXFCSA-N	245.410	4.729	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@@H](C)CCC(C)C	2081208662	HYLYEJLRLRPVHD-GJZGRUSLSA-N	247.426	4.724	0	10	BJAE	
CC(C)CCCC(=O)CC1C2(CCC2)C12CCC2	2083538743	CMUSHNBHDLKWAX-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
F[C@@H](CNc1ccc(C2CCC2)cc1)C1CCC1	2083779302	ZZMNCUIXJNODBZ-INIZCTEOSA-N	247.357	4.504	0	10	BJAE	
FC(F)CCCCC[C@@H]1C=CCCC1	2209996340	GJLMFXUZXMOEQX-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C(C)(C)CCC	2212119964	QJRWGPKOJFBZGU-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC1(C)C[C@H](CCCCCCCC2CC2)CN1	2213575813	JLZUNPDRGGPVDO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@H](O)CCCCCCC1CC1	2213582677	KILBMJBRPHUIHU-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CCCCC1CC1	2214552189	KNUBGYDIFQIJLC-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)[C@@H](CCCCC1CC1)NC	2214573634	OKONODJNODQOOW-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(n2ccc3cccc(F)c32)CC1	2214768411	FWMCIJIJVZPZQO-UHFFFAOYSA-N	231.314	4.532	0	10	BJAE	
CCCC1CCC(N)(CC[C@H]2C[C@H]2CC)CC1	2215259176	WDYYWCDDVHTYJF-FYRZTWFESA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCC1(O)CCCCCCCCC1	2215305491	YADOGEYCHNPQBA-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1cccc2ccsc12	2215308764	YVJWKXAPKMYBNH-WCQYABFASA-N	245.391	4.749	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC[C@H]1C[C@@H]1CC	2215346399	PVHHUNNVSJBTIA-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@@H](C)c2ccsc2)CC1	2215824466	TXCMVOQCWAFLNN-DZGCQCFKSA-N	249.423	4.535	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](O)(CCC2CCC2)C1	2216253938	WDNJIMVZGXOMRE-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CC(CC)(CC)CNC1CCC1	2217153789	OLVDHKAPLJNHBF-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@](N)(CC2C[C@H]3CCC[C@H](C2)C3)C1	2218356021	IOVTTWQJSXMVJP-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1NCC1C[C@H]2CCC[C@H](C1)C2	2218358117	UXBDRDBNNZPHBC-GJZGRUSLSA-N	243.394	4.623	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1[C@H]2CCCC[C@H]21	2218730417	FHONAKCDGBOBHX-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=Cc1ccccc1)C[C@@H](C)CC	2219089247	ZFIKLCBENJHSAS-RDJZCZTQSA-N	245.410	4.504	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CCCCC1CC1)C2	2220045718	PBLXKRLJQNGLDE-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@H]1CC[C@@H]1C	2220516529	BOCFKFZBMOPINZ-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(CC)c1NCC[C@@H]1C[C@@H]1CC	2220930372	VGSPFQUGOAXBJB-JKSUJKDBSA-N	245.410	4.660	0	10	BJAE	
CN[C@@H](CCCCC1CC1)[C@@]1(C)CC=C(C)CC1	2221631146	MAJBCDUMKRXEQF-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)[C@@H]1CCC[C@@H](C)CC1	2221997633	UYMVFPROHHUPKR-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1	2222954561	LMQBLEUMHIGZQW-LQKXBSAESA-N	248.410	4.598	0	10	BJAE	
C(CCCN[C@@H]1CC[C@H]2C[C@@H]1C2)CCCC1CC1	2223175545	YZWVLHCXPKRYGR-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCOc1ccc(Cl)cc1	2243065630	GCQAWPDXWBVBHS-VXGBXAGGSA-N	238.758	4.545	0	10	BJAE	
Cc1cc(F)ccc1CCC1=CCCCC1	2243237994	OYFWIRCBQXQXDR-UHFFFAOYSA-N	218.315	4.567	0	10	BJAE	
Cc1cc(O)ccc1-c1cc2sccc2s1	2246029091	RTHBZWIQDPVOJV-UHFFFAOYSA-N	246.356	4.644	0	10	BJAE	
CCC[C@H](CC[C@H]1CCC[C@@H](C)C1)CNCC	2246671370	XITDAOFZSHWTEI-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC1CC2(CCCC2)C1	2246813551	TUUOMUIZSOSKRM-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](O)(C[C@H]1CCC1(C)C)C1CCCC1	2247417565	LYEWRHHGFVZNGY-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H](NC(C(C)(C)C)C(C)(C)C)C1	2247718092	MRRDASBSFDRMPK-QWHCGFSZSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CCCCC[C@@H]1O	2248805512	HKDHXKUCSBVBHN-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](O)(CC)CCCCC[C@H]1C[C@@H]1C	2248860152	ZKXQOMPAFQKOOP-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@@H]1C[C@H](C)CCC1=O	2248878617	JTSWLXNQALZAEF-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCN(CC[C@H](C)CCCC(C)C)C1	2250466083	AAZFPNLQWACCTQ-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)[C@H]1CC1(C)C	2250468662	GKZZIUZYBBUTMJ-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CC1=CCC[C@]1(N)CC[C@@H](C)CCCC(C)C	2250482652	VJSXITVCBLHOKR-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC(C)=C(C)CCc1ccnc(C(C)(C)C)c1	2251229511	NCWRIMYITYXLLF-UHFFFAOYSA-N	231.383	4.668	0	10	BJAE	
CCCCCC[C@@H]1[C@H](O)C(C)(C)CCC1(C)C	2251707149	KXZDWLAVMVEIIE-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@@H]2C[C@H]2C)cc1C	2254612139	URMLHFKSKQSLCM-HUUCEWRRSA-N	244.378	4.703	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@@H]2CCC2(C)C)cc1	2254822789	TYGBFELLYQJSEI-HOTGVXAUSA-N	245.410	4.636	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@@H](C)c1cccc(N)c1	2257323125	MOLPYUNBVZWCIM-QLFBSQMISA-N	245.410	4.979	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1CCC2(CCC2)NC1	2257329022	RYIMCCSHUUOEHP-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)c1ccccc1C(C)C	2259430891	KPOKAWCJMZVYEE-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cc2cccc(F)c2o1	2259437341	KRFVNFPCUHQVAH-SNVBAGLBSA-N	248.297	4.581	0	10	BJAE	
CCCc1ccc(CC(=O)[C@@H](CC)CCC)cc1	2259440277	DIEPKPQRAACQPM-INIZCTEOSA-N	246.394	4.577	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1ccc(C2CCC2)cc1	2259445916	XRHLEAAMBZRCQE-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CC[C@H](NC[C@]12CCCC[C@@H]1CC2)C1CCCC1	2260630944	ZIKCFGBTAWIGDD-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@]12CCCC[C@@H]1CC2)C1CCC(N)CC1	2260659572	XGPSMYBQAUQOOK-OHYMQKJLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@](C)(O)C1(C)CCCCC1	2298848582	JACWYBNMSOHHCE-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@]1(O)CC[C@@H]2CCCC[C@H]21	2300683168	GVYLXFVHKHJVLH-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1CC[C@](N)(CC2CCCCCC2)C1	2301141386	YLPASGKYJUSLMS-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(CN(C)[C@H](C)[C@H](C)C(C)C)C(C)C	2301702752	ZYQBKSCGQTWYDP-HUUCEWRRSA-N	241.463	4.527	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N[C@H](C)C1(C)CCCCC1	2301708560	VQSPEXRILGQZHC-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CCC[C@@H](C)N1CCCC1=CCCCC1	2302351303	HIYZNIVBZPLZQK-GASCZTMLSA-N	235.415	4.530	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCCC[C@@H]1C[C@H]1C	2302644111	OCRZGLJGSLFZBQ-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@H](C[C@](C)(O)CC(C)(C)C)CC1	2303528270	ZSSYELCCZLUMGD-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(C)CCC(C)CC1	2307763912	RCSPBLHRRMFTFV-NPCAHTBFSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CCCCC12CC2	2307816676	HKFGWSZNFJFYRA-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C)[C@H](O)c1ccccc1	2307906753	IELKMAKERRUKGG-YCPHGPKFSA-N	234.383	4.573	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)C[C@@]23CCC[C@@H]2C3)C1	2311892802	OLUDVUHSUTYEMU-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(NC[C@@H]2C[C@@H]3CC[C@H]2C3)CCC1	2312926010	IUXCLWJHQMLREW-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312950839	JDPTTYQPEXKPCN-ILZRDFNYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)[C@@H]1C[C@H]1C1CCC1	2313034316	QPQFAMGWFSHIHC-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](NC(CC2CC2)CC2CC2)CC1	2313592875	FTKFJOZRRNHQDG-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCCCN1C(CC1CC1)CC1CC1	2313614444	NYPDIMNYQQATQU-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@H]1CC[C@H]2C[C@H]2CC1	2316502707	MBWKVROHLDZXLW-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@H]1C(=O)[C@H]2CC[C@H]1C2)CCCC(C)C	2316537397	RQQKNIRBYFITCC-HRCADAONSA-N	248.410	4.764	0	10	BJAE	
CC(=CC=C1C[C@@H](C)NC[C@@H]1C)CCCC(C)C	2316537827	ULEUSFZTOAJGHP-JKSUJKDBSA-N	249.442	4.703	0	10	BJAE	
CC(=CC[C@@H](N)[C@H]1CC12CCC2)CCCC(C)C	2316570616	LAVREHSQRDLQLC-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316871701	DDSBPSPJSMBZEF-QRJUGERDSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@]1(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCN1	2316875605	XCXLQISXMVVHTH-QAETUUGQSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1[C@]1(N)CCCC2(CCCCC2)C1	2317083899	PUDWCQMHJWMZQA-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)CCC12CCCC2	2318547707	FIEXIXBHRXLIEG-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CCc1ccc(OCCCC2=CCCCC2)cc1	2318597190	IEZNYPCPNRKAMM-UHFFFAOYSA-N	244.378	4.908	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@](C)(O)c2ccccc2)C1	2319030596	NXYNJBAEHWFCPM-WMLDXEAASA-N	246.394	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)(C)C1)[C@]1(C)C=CCC1	2319124881	XRSRMDXTPRUTSN-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CCC[C@@H](C(C)C)C2)CC1	2320236978	FLDXBHXAWOAMRD-IXDOHACOSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](C=C(C)C)c1cccc(C(C)C)c1	2320524125	VFBXJWMMGIWRFS-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CC(C)CC[C@](C)(O)Cc1cccc(C(C)C)c1	2320631216	RUWWUGBMVJSIDN-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
Cc1cn(Cc2cccc(C(C)C)c2)c(C)c1C	2320661411	ISPMUUFRMAVTJX-UHFFFAOYSA-N	241.378	4.585	0	10	BJAE	
CC(C)[C@H]1CC(=C2CCC(C(C)(C)C)CC2)CN1	2321264572	GVPMDTZMIDHMON-OEMAIJDKSA-N	249.442	4.537	0	10	BJAE	
C[C@@]1(N)C[C@H]2CC[C@H]1C[C@@H]2CC1CCCCCC1	2327756430	SNNYCGWKRDMRBN-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NCCCCC2CC2)c1F	2327765694	TZSHJNKWWRRMMU-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
CCCc1ccc([C@@H](O)C[C@@H](CC)CCC)cc1	2328196352	KYVPTEYUFBLAAU-YOEHRIQHSA-N	248.410	4.889	0	10	BJAE	
CCc1cccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)c1	21519854	FSXNHVJPSDVGQZ-CJNGLKHVSA-N	245.410	4.876	0	10	BJAE	
CC[C@@H](Nc1ccc2ccccc2c1)C(C)C	37276987	ANYOXLHEZMLGRM-MRXNPFEDSA-N	227.351	4.686	0	10	BJAE	
c1ccc2c(C3SCCCS3)cccc2c1	39215750	ZKKDVLOFLUTRAC-UHFFFAOYSA-N	246.400	4.709	0	10	BJAE	
CCN[C@@H](CC(C)C)c1cccc2ccccc12	54439267	QOGNPJGSUZGPCL-KRWDZBQOSA-N	241.378	4.537	0	10	BJAE	
Cc1ccsc1[C@H](C)N[C@@H](C)CCC(C)C	69635990	HXZJTQPCEAMSIU-STQMWFEESA-N	239.428	4.532	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccc2ccccc2c1	70103225	XBLDBXPWECYBOZ-MRXNPFEDSA-N	239.362	4.830	0	10	BJAE	
CCOC(=O)Nc1ccc(C(C)C)cc1C(C)C	70254587	GJHDYIKCSVCLHC-UHFFFAOYSA-N	249.354	4.502	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccc3sccc3c2)C1	70761061	IPNYZHXGVZYUAG-ZYHUDNBSSA-N	231.364	4.502	0	10	BJAE	
CCCCCC[C@H]1CCCC[C@H]1NCCC	71084063	MHJUTLPQROYOQO-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC(C)C)NCC	71085241	GTDKWUDUJREWES-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](CCC)CNC(C)(C)C	71127014	CZDLBUJJZMDHAO-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1CCC(C)(C)CC1	79624916	NVJSKRRTVJRUCJ-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccc(C(C)C)cc2)C1	80426535	LBWVQFYFRSQUEN-XJKSGUPXSA-N	231.383	4.801	0	10	BJAE	
C[C@H]1CC[C@H](Nc2ccccc2Cl)C[C@@H]1C	82835909	RTQURESBDDXKOK-SRVKXCTJSA-N	237.774	4.577	0	10	BJAE	
CCCC[C@H](CC)CNC/C=C/c1ccccc1	83374564	RSSOEGZMMQKSID-WQMJKPAKSA-N	245.410	4.506	0	10	BJAE	
C[C@@H]1CCC[C@H]1Nc1c(Cl)cccc1Cl	83847765	MCLJGJLFDFXESW-LDYMZIIASA-N	244.165	4.594	0	10	BJAE	
CCCN[C@H]1C[C@@H](C)CC[C@@H]1C(C)(C)CCC	85157333	LYHMOKZOPARMJG-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)N[C@@H](c1ccc(C)cc1)C1CC1	109944366	FKKRSMDWJFCQQN-IRXDYDNUSA-N	245.410	4.614	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H]1CCCC[C@@H]1CC	111746822	JHBNTESBHLVVCH-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H]1C[C@H](CC)CC[C@@H]1CNC	131823657	NAESBDRKIKBXNM-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)c1csc(-c2ccc(C)cc2F)n1	132196220	WDMRCCQVJSJOTN-JTQLQIEISA-N	249.354	4.771	0	10	BJAE	
CCN[C@@H](c1ccc(C2CCC2)cc1)C(C)(C)C	133141700	NQGHESISSYNZPA-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H]1C[C@H](CC)CC[C@@H]1CNC(C)(C)C	156092183	SOJXFTWWUPOWAH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](CC1CCCCC1)NCC	158438660	PVSABORQVOHILY-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
C[C@@H](C[C@@H](O)c1cc2ccccc2o1)C(C)(C)C	159228354	UBLAPCWWGQMULM-WCQYABFASA-N	246.350	4.539	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)c1c(C)cc(C)cc1C	163349363	WONWTZLNIMORGO-HNNXBMFYSA-N	247.426	4.699	0	10	BJAE	
CC[C@H](Nc1ccccc1F)c1cccc(F)c1	166407693	YYHUGMBEDAPJLS-AWEZNQCLSA-N	247.288	4.528	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCC[C@@H]1C(C)C	214953773	VYUVYRXNMDVHFD-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)[C@H]2CCCCC2(C)C)c1	226543749	NLBBJUDWLSEUIF-HZPDHXFCSA-N	245.410	4.520	0	10	BJAE	
CCC(CC)C[C@@H](N)c1csc2ccccc12	229155764	CIAWSOATOCHGPZ-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](CC1=CCCCC1)NC	253178685	RSEBZPBDJIDKQR-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)[C@H](N)c1ccc([C@H](C)CC)cc1	253624365	URWHRMUQYGIBLM-WWGRRREGSA-N	233.399	4.636	0	10	BJAE	
CC(C)(C)[C@H](F)c1ccccc1Br	258977494	SEVAIDUDQBCLGX-SNVBAGLBSA-N	245.135	4.506	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H]1CCC[C@H](C)C1	300143069	VURGWTQFVPFNDI-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H]1CCC[C@H]1C	300285417	SFYXEOBAUYCAMC-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCNc1ccc(Cl)c(F)c1	300891183	PTHNWUWLJZOELM-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CC(C)(C)CCCC1(CNC2CC2)CCCC1	302344280	VKOJLGOHZWKLSD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cccc2ccccc12	302490905	ZYGWHMRRORSXGU-DYVFJYSZSA-N	241.378	4.666	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CCC(F)(F)C2)n1	304152443	HWPRANWUBXZJNQ-DTWKUNHWSA-N	245.338	4.559	0	10	BJAE	
CSc1cccc(NC(C(C)C)C(C)C)c1	304631849	ZIZZCJCYSIMYGX-UHFFFAOYSA-N	237.412	4.501	0	10	BJAE	
NC1(CCC2CCCCC2)CCCCCCC1	305998518	USPDQZLWJNHECK-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC2(C)C)cc1C	306007248	LTRJFDHWRYGKJW-HNNXBMFYSA-N	231.383	4.548	0	10	BJAE	
CSc1cccc2c(Cl)c(C)sc12	306955818	QSPLCYUJBFEFIW-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CC1(CC)CCC1	308035720	SUGZVECJGIJCTM-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CCC[C@@]1(N)CCCC(C)(C)CC1	309984834	DTNRBAONRMMEOZ-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC(C)=CCC1(CN)CCC(C(C)(C)C)CC1	310207181	CVGQKCHHCVLZAQ-UHFFFAOYSA-N	237.431	4.524	0	10	BJAE	
CC(C)C[C@H](C)C1(CNC(C)(C)C)CCCC1	310224186	HWUQTISREDTHAW-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](O)CC2CCCCC2)C1	310387734	ICRQESQRIGJQGW-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@H](N)C1CCCCC1)C1CCCCC1	310486948	NDJGCXVAZNJZCW-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@@]1(CC(CC)CC)CC[C@@H](CC)C1	317395230	GDRCTQJGOWWKHA-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC(C)NC[C@@]1(CCC(C)(C)C)CC[C@@H](C)C1	318122761	VWKKCYHERMKFIY-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)C)CCCC[C@H]1C	318356936	XKHATGPSBDONOY-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1ccc(CCC)cc1	380640492	SRSRYNCDOCGYOF-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CCC2=CCCCC2)C1	385256790	XUQWQLVMFGUCMX-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
C1=C(CCN[C@H]2CCCC23CCCC3)CCCC1	385683736	CWXWDRUAVCVTOA-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCCC12CCCC2	385866922	XYVVVECATCTBCV-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)CCC(C)(C)C	386040859	ARMSCGHFYXPUIU-UONOGXRCSA-N	227.436	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H]1CCCC(C)(C)CC1	388924650	SHSKDCMWAUBPTD-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)c1ccc(NC2CC(C)(C)C2)cc1	395300413	QSVWYPDDNWKZFE-GFCCVEGCSA-N	231.383	4.801	0	10	BJAE	
CCc1cccc2c(C)c(C(F)F)sc12	396228384	VJUUNJHZIDCVJD-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
C[C@H](CC(=O)CCC1CCC1)CC(C)(C)C	398656637	CLGOTMNDQFTPCG-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@@H](C)C1CCC1)CC(C)(C)C	398727380	RQHHINIHBRIRBP-UMVBOHGHSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1=CCCC1)NCC	401092757	WDJNONHBICKDDU-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(Cl)c(C(F)F)cc1C(F)F	575675058	DJSIBZPPYGPADW-UHFFFAOYSA-N	226.600	4.524	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H](CC)CC(F)F	688708480	JOGBPPZITLECAF-JSGCOSHPSA-N	249.389	4.603	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1cccc(C(C)(C)C)c1	691699088	MYKIRSAXGHZAET-XJKSGUPXSA-N	248.410	4.700	0	10	BJAE	
CC[C@H](N[C@H]1CCC12CCCC2)c1ccsc1	693888189	PFHNVOVXKYECTQ-KBPBESRZSA-N	249.423	4.512	0	10	BJAE	
CCCC1CCC([C@H](N)C(C)(CC)CC)CC1	701130455	HFOBSYAPBTXGGA-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](C(C(C)C)C(C)C)C(C)(CC)CC	701183113	JSISGMGNQRNTHQ-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@@H]2CCCC[C@H]2C)C1	704946420	WEJNXEFAEDZMJE-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@H](CO)C1CCCCC1)CC(C)(C)C	709118455	OUVGJYVLQGGOQH-UKRRQHHQSA-N	240.431	4.638	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@H](C)CC(C)C	709175176	HEMNPLJIXAMTLP-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)CC1CCCC1	709756850	NGCRUDPMDCEGAG-CQSZACIVSA-N	245.410	4.938	0	10	BJAE	
Cc1cc(N[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)cs1	710730324	ZQHCHMLIIAFBPW-WHOFXGATSA-N	249.423	4.683	0	10	BJAE	
Cc1cc(NC[C@@H](C)C2CCCCC2)cs1	710761927	YFYWNOMDWQZMPR-LLVKDONJSA-N	237.412	4.685	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@@H](C)C(C)(C)C	711154778	NHPCBUNHKLKBOW-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C12CCC(CC1)C2	711166932	LAHKHVDMZCVYDO-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C1(CC)CCCC1	713134710	QFHJHDVNZBDNIG-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]2C[C@@H]2C1	718561184	URYNALWPKATWIW-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)[C@]1(CNC(C)C)CCC=CCCC1	719076482	JRNHYUFCHFKIHI-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](O)(CCC(C)(C)C)CC1CCCCC1	720978742	VCYXSPLLWPWHMN-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](NC)C(C)(CC)CC	721663751	OREPJDOXEPHJFW-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(N)(C[C@H]2C[C@@H]2CC)CC1	723131543	RBHDBVWLAOPWRX-PWUWZPNHSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)CCCC3(CC3)C2)CC1	723603432	XDNKATIBNQQLNF-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
C1CCC(CN2CCCC[C@H]2CC2CCC2)CC1	1560017429	JLKBGBUVFZHUPO-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
C1=C[C@@H](N2CCCC3(CCCCC3)CC2)CCC1	1653302432	SSDGZHAYLRNRLA-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CCCCCCc1cc(C)ccc1Cl	1889470236	MSEBSKZUBUALOV-UHFFFAOYSA-N	210.748	4.771	0	10	BJAE	
CCCC1(C[C@](C)(N)CCCC(C)C)CC1	1900595469	YYVTZFQNJTYLJC-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CCC1(CO)CCCCC1	1905366535	OIQDKCRQSIGOSS-AWEZNQCLSA-N	226.404	4.536	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1sc(C)cc1C	1905374320	NIPSKYZNUQABMC-OLZOCXBDSA-N	240.412	4.615	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1scc(C)c1C	1905441848	AYXBENMGAGJNIX-STQMWFEESA-N	239.428	4.581	0	10	BJAE	
CCC[C@H](CC)CCC[C@@H](CCC)NCC	1905449123	ZVGWEWZRYJXERE-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@H](C)C(C)(C)C)CC1	1909703086	KBUYFQMVBARUQM-AJNGGQMLSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@]12CCCC[C@@H]1C2	1909871246	FWFVJGABZYVXFL-PMPSAXMXSA-N	238.415	4.678	0	10	BJAE	
CCC1(C[C@@H](N)C2CC3(CCCCC3)C2)CCC1	1912643671	BKFKGZISOVPUDE-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CSc1ccccc1NC1CC2(CCCC2)C1	1912720232	DBLCQNJEDMRZTN-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
CC[C@H](C)C[C@H]1CCCCCCCC[C@@H]1N	1913404748	PJKXZHDZANNVCX-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@H]1C[C@H]1C=CCCC1	1916016278	WKTTXJQERCXSMD-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@@H]1CCC[C@H](CC)C1	1919963965	ZYVZWSYMYRMSGB-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1921540802	IOLQSKYGYFWGBB-YALNPMBYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)CCCC(C)(F)F)C1CCCCC1	1924085587	FVHZVBIGMGDNNJ-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCC1CC([C@@H](C[C@H]2C=CCCCC2)NC)C1	1925772631	NPWTZNGAMAWIBO-ZGRYLRDCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C[C@@H]1C=CCCCC1	1925868913	DAUUQAYKGWYBNA-RBSFLKMASA-N	206.373	4.949	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCCC1)C[C@H](C)CC	1925887713	LUIUCYHQKHRLQO-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1CC1(C)C	1925928861	ZJWPUJRCQRSFIK-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@H](C)CCC(C)C	1926189703	QZZUBBNFGIXSKX-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)C[C@H](O)CC1CCC(C)(C)CC1	1926368013	ORJVGKJSIPLHKZ-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)C[C@@H](CCC[C@@H]1CC1(C)C)NC	1926381808	LQQADGAUFZPCHM-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(=C(F)F)c1ccc(Cl)c(Cl)c1	1927561854	IORPCAOLVBPEAK-UHFFFAOYSA-N	223.049	4.621	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C(C)(C)C1CC1	1936123707	AESMDKMYKDHYFD-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H](C)C(C(C)C)C(C)C	1940245470	KFDWAVJYKMCJFO-HUUCEWRRSA-N	241.463	4.717	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)CC1(C)CCCCC1	1940400806	DFTOHFHGPFVKQL-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC1(C[C@@H](N)C(C)(C)C(C)(C)C)CCCCC1	1940414807	LHFSCONPFDPZGJ-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCC[C@H](N)c1ccccc1C(C)C	1940616898	TVKXCWTVVWANKC-INIZCTEOSA-N	231.383	4.556	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@@H]1CCCC[C@H]1C)C(C)C	1941268553	HJBCKAKHPDXHNV-KFWWJZLASA-N	238.415	4.700	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H](CC)C(C)C	1941268740	JCNUUUCZUHWJOV-CQSZACIVSA-N	232.367	4.504	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(CCCC2CCC2)C1	1941461608	HUNYZDYXRPMSTL-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CCCCCC1CC1)[C@@H]1CC1(C)C	1941578487	AYIMOECOEMJEKX-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](c2nc3ccc(Cl)cc3[nH]2)C1	1945587524	YYYJHBVNBVLQDA-VIFPVBQESA-N	248.757	4.510	0	10	BJAE	
CC(C)CC(C)(C)NC[C@H](C)C1CCCCC1	1947017890	SSQIVVRJMONXEX-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H]1CCCC1(O)CCCCCCC1	1947544105	SKOBTVWGVQIAAT-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](NCC)C1CCCCCCCCC1	1947878011	DBBMRSYTAMHFHU-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCC(F)(F)CC[C@H](N)C[C@@H](C)CC(C)(C)C	1947993065	KKLDCCWMLJSSAU-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)C1=CCCCCCC1	1948952279	WQLMWJHJWTXXKZ-ZBFHGGJFSA-N	237.431	4.811	0	10	BJAE	
CC[C@](N)([C@H]1CCC2(CCCC2)C1)C(C)(C)C	1949401139	AQWOGXBCJYLJRP-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)([C@H]2CCC(C)(C)C2)CC1	1949453077	NOBWKJSHOHBJQP-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)CC1CCCC1	1949864663	PYVMBNNWGMTLCX-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCC2(CC2)C1)CC(C)(C)C	1950261985	GPDFVTQHKFDFOZ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC1(N)C[C@H]2CCC[C@@H]2C1	1950295444	WSTUYZMPHBARCT-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@]1(CN)CCC[C@@H](C)CC1	1950924917	OSXAHLWGWIIPCV-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(OC)c(C)c1C	1951309205	WXDDHOPUWRXAED-LBPRGKRZSA-N	232.367	4.772	0	10	BJAE	
CC(C)CC(C)(C)NC[C@H]1CCCC(C)(C)C1	1962900405	IVBPMEZEDRWVOI-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(NCC2CC3(CCC3)C2)cc1	1968293042	JAFIEXGFCCTATH-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CCc1cccc(NC2CC(C)(C)C(C)(C)C2)c1	1968338847	BTPKSWAIEWHVQI-UHFFFAOYSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@H](CC)NCC1CC(C(C)(C)C)C1	1971517695	CXDLVBGMEIQYIC-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(c2csc(CC)n2)CC1	1980256639	VADQMZFVCMOAJU-UHFFFAOYSA-N	237.412	4.779	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@]1(C)C=CCC1	1980475206	HBOKOVDNNPCGFW-HIFRSBDPSA-N	222.372	4.518	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)C[C@H](C)CC(C)(C)C	1988300686	SEAXZLYZYVWDCX-STQMWFEESA-N	226.404	4.700	0	10	BJAE	
CC[C@H](C)CCN[C@@H](C)C1CCC(C)(C)CC1	1996550196	XXBYRQSCHKZINI-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@]1(O)CCCC2(CCCCC2)C1	1996648109	VWGIARABPMWQKM-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CCCC2CC2)CC1	1997118772	ZSXWGDIQTPAEOK-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H]1CCC=CCCC1	2000002350	WJFJWVYEHBINND-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)C[C@H]2C=CCC2)s1	2000208848	NXICQXPQFFXQJF-NSHDSACASA-N	248.391	4.585	0	10	BJAE	
CCCC[C@](C)(CNC)[C@H]1CCC[C@@H](CC)C1	2000513441	UGOBGYHUJMMSGL-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@H](C)C1CCC1	2000518018	JVARYDANIBOVEY-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCC12CCC2)CC(C)(C)C	2001867217	XSUYEPCZICHUKW-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@@]2(N)CCC[C@@H](C(C)(C)C)CC2)CC1	2002513778	DSPHJKOAWMZDNV-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@]1(C)CCCC1(F)F	2002581237	WJLSZQXZZWVBHE-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCC[C@H](C2(N)CCCCCCCC2)C1	2003102989	ZVISANWWRKBTDA-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
O[C@H]1CCCCCCC[C@@H]1C1CCCCCC1	2003118471	RUCPDNWSJVCFEJ-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)CC1(C)CCCC1	2003174612	FIZPTTKKNQRLQX-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
Cc1cccc(C(=O)CCC(C)(C)C(C)C)c1	2003630807	XYOMRXXKXYYZIA-UHFFFAOYSA-N	232.367	4.640	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CC=C(C)C)NCC	2004230635	YLLZCNLDOCXYNZ-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCC[C@H](N[C@H](C)C1(C)CCC1)C1CCCC1	2004822415	NTPOBZCYRALXKA-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCCCC12CC2	2005558032	IXNHJWVFWOIIBO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1=C(C)[C@@H](N)[C@@H](CCCCCC(C)C)CC1	2006903362	YZABVDFVLLPXHP-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC1=C(C)[C@](O)(C[C@@H](C)CC(C)(C)C)CCC1	2006973080	TYYKXZJPVIEMIT-BLLLJJGKSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CC(C)C)C1(C)CCC(C)CC1	2007692244	OUTNNLXQORBHQT-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CCC2(C)CC2)CC1	2009545372	ZAJPNLVIZRBZEV-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H](C)C2CCC2)C1	2009791357	KZCNRQIBHPLZCH-VQCLRJIVSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCC(C)C)C1=CCC(C)(C)CC1	2010767799	HDCLQHFAMCUHHR-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CSCc1cccc(CC2CC(=C3CC3)C2)c1	2011090066	OIXIJCPCGZXPPV-UHFFFAOYSA-N	244.403	4.593	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2CC(=O)CC(C)(C)C2)C1	2012080617	FWZQMOGNZMJYBA-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CCC1=CCCCC1)CCC(C)C	2013296338	KFKHTBZFXASMGN-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCC[C@H](C)[C@H](CC(C(C)C)C(C)C)NCC	2015279268	VVRBREFUFPUNDX-HOCLYGCPSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C(C)C)[C@H](CC(C(C)C)C(C)C)NC	2015285572	XRQZVTOHHAEEFC-ZBFHGGJFSA-N	241.463	4.575	0	10	BJAE	
CCN[C@@H](C)[C@@H](CC)CCC(C(C)C)C(C)C	2015338709	KYATWEMKHLDAIH-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCC1(CC[C@@H](CC2CCCC2)NC)CCC1	2015593453	DKEVTHLQXZYTJE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CCC1)[C@H](C)CC	2015642646	SLNWAKCPANZMQW-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1(CC2CC2)CCC1	2015759737	AJZBEKJDCSOHJL-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)C(C)(C)C1CCCC1	2017486600	LHMAANSDMFRAGV-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)C(C)(CC)CC)CC1	2017661359	BOYPCDAHCUGFIE-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(O)(CC2(CCC)CC2)CC1	2018972282	FZLFVOOJGFHALQ-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CC2(CC)CC2)CC1	2018995104	NNMLXVURSZPXKX-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)N(C)[C@@H](C)c1ccccc1	2019109545	DCXBVAAPAPUIJQ-GOEBONIOSA-N	233.399	4.648	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](C)[C@H]1CC1(C)C	2019192975	VMFWXOXGNBRRGU-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C2(C)CCCCC2)C1	2019203828	RNCQWODSGZIJKW-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)[C@H](C)CCC(C)C	2019409047	MARPZENQDGMSCH-GDBMZVCRSA-N	239.447	4.712	0	10	BJAE	
CCCN(C1CCCCCC1)[C@@H](C)CC(C)C	2020501181	JVAOZOAXLSPIQJ-HNNXBMFYSA-N	239.447	4.856	0	10	BJAE	
CCCN(CC1CCCC1)C1CCCCCC1	2020505921	KDOKGIPWJSBAAE-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCC2(CC2)C1	2021787502	IJXUECZYYYLMSS-CYBMUJFWSA-N	229.367	4.555	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1C[C@H]1C1CCCC1	2022554460	OLPPOZNDGMWCHC-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)C1(C)CCCCCC1	2022556300	DXZYWPIPMMNOCH-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@H]1C[C@@H]1C(C)(C)C	2022621335	UVMYWXMGTRZDIF-ILXRZTDVSA-N	239.447	4.569	0	10	BJAE	
CC(F)(F)CCCC(=O)CCC[C@@H]1CC1(C)C	2023303850	ICCOFUIFIJLJRG-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C[C@H]1CCCC(C)(C)C1	2024093539	CHQMMHKFXSDFDE-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCCNCC[C@@H](C)C[C@@H]1CCCC(C)(C)C1	2024096894	WNUJSQURCKFJFX-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1CC[C@@H](F)C1	2026079767	ONCGGRKVNJXURS-MELADBBJSA-N	242.378	4.690	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C[C@H]1CC1(C)C)NC	2026168522	AORGVDDQYKAXDI-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C=C1CCCC1)NC	2026170604	QWCOOPMFBNKITE-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1C[C@H]2CCC[C@H]1C2	2026239223	RPBOSSWKFXPKFY-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CC1(Cc2ccc3c(c2)NCCC3)CCCCC1	2027308087	CFEVJZWFPHXYHV-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC1(C)C[C@H]1CCCN[C@H]1CCCC12CCCC2	2027805739	UUIHIMWKWNXMKG-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1cccc2ccccc12	2028229795	NRGMHAGFJPWANT-RHSMWYFYSA-N	242.362	4.555	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H](CCC)C(C)C)c1	2028253853	AEDZIUIYNGXERU-INIZCTEOSA-N	246.394	4.894	0	10	BJAE	
Cc1ccc([C@](C)(O)[C@@H](C)CCC(C)C)cc1C	2029837730	PVHCOUGWCCAELS-DOTOQJQBSA-N	248.410	4.583	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H]1CCc2ccccc2C1=O	2029839055	WTKLCNOKRWWNDW-UKRRQHHQSA-N	244.378	4.504	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@@]12CCCC[C@@H]1CCC2	2031763026	ZWKPFYIIUIEUOF-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc([C@H](O)C(C)(C)C2CCCCC2)c1	2032276163	MEUKPUDZZRHYNU-INIZCTEOSA-N	246.394	4.635	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@H]1CCC[C@@H]1C	2032483594	KMQXUWCTBUGHTB-UONOGXRCSA-N	244.378	4.819	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC1(N)CCC(C2CCC2)CC1	2032504395	ATELYWLZIHUQKB-MHABSNSOSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CC[C@H]2CC[C@H]1C2	2035047844	WNWFBMWXFMAWHZ-YCPHGPKFSA-N	243.394	4.801	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C[C@@H]1C=CCCC1	2035575337	GTSIVKFRZSJTTP-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)C2=CCCCCCC2)C1	2037074644	VNDWSLATORLJCE-JQFCIGGWSA-N	247.426	4.587	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CCCc1ccccc1	2037084516	SGHFVXCTLGYXIP-MRXNPFEDSA-N	247.426	4.553	0	10	BJAE	
CC(C)=C(C)CCC1(N)CCC(C2CCC2)CC1	2037173453	JNIWIPNFRLQTQI-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CCC23CCC3)cc1	2037479158	VTIDLNFXUKFQPN-BBRMVZONSA-N	243.394	4.945	0	10	BJAE	
CC1(C)C(C(=O)[C@@H]2CCC3(CCCC3)C2)C1(C)C	2037673105	SPXYYQIPVLVDDI-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CCCNCC1(CC2CC3(CCC3)C2)CCCC1	2038080959	MWPWDVJVXVMEDX-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC2CC3(CCC(C)CC3)C2)C1	2038912704	KSJPIKCBUPJRCS-FVROTGDOSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNC2CC2)CC12CCCCC2	2039004498	AKHMYETZVHMNKU-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](O)[C@H]2CCCC(C)(C)CC2)c1	2039385031	KWVRSYGUPFTYGA-GOEBONIOSA-N	246.394	4.635	0	10	BJAE	
CCC1(CN[C@H](C)C23CCC(CC2)C3)CCCC1	2039865769	RWSQTEZIXGHVCA-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CCCCCc1ccc(N[C@H]2C=CCCC2)cc1	2042331410	RVAVMKUXYJGPKQ-INIZCTEOSA-N	243.394	4.940	0	10	BJAE	
CN[C@@H](CC1CCC(C)(C)CC1)[C@@H]1C=CCCC1	2043189362	ALDAIVWENOLUGK-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@@H]1CCCC12CC2	2045308377	UBNUFYJWKJTYJA-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
Cc1cc(NC[C@@H]2CCC=CCCC2)ccc1F	2045329382	NNYWHZVEKYGGDR-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@@H]1CC12CCCC2	2047011571	XZVCEZCEISRJAH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CC12CCCCC2)C1CCC1	2047058163	GZSFUJDDGGGKAR-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(C[C@H]2CC23CCCCC3)C1	2047060199	VTBDIPSQRHCVNX-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
Cc1cc2ccccc2n1CC1(F)CCCCC1	2047242082	JAPCJDFVDOSTOB-UHFFFAOYSA-N	245.341	4.622	0	10	BJAE	
CCC1CCC([C@H]2NCC23CCCCCC3)CC1	2049347057	YDTLSZDGOWQKCO-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2CCCC3(CC3)C2)CC=CCC1	2049949282	XXOOEZBTITWQFG-GDBMZVCRSA-N	246.394	4.662	0	10	BJAE	
Cc1ccccc1[C@H](O)CCCC[C@@H]1CC1(C)C	2050439913	DJSCHIVBVGRUFF-GDBMZVCRSA-N	246.394	4.635	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@H]2CC23CCCC3)cc1	2050459046	SMNNQVTYZGVBRS-OAHLLOKOSA-N	242.362	4.538	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@H](O)CC=C(C)C	2051399534	HXVQDDNUFZFFSX-UAGQMJEPSA-N	246.394	4.534	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H](C)c1ccccc1	2051403424	LMJLBDSENRGBLZ-NVXWUHKLSA-N	245.410	4.515	0	10	BJAE	
CCN[C@H](CC=C(C)C)c1ccccc1C(C)C	2051404388	RCPFWBSOIHRWIY-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1C=C(C)CCC1	2055547698	VSNIFZZFTDSQPZ-IRXDYDNUSA-N	249.442	4.824	0	10	BJAE	
C[C@H]1CC(C(=O)C2(C3CC3)CCCC2)C[C@H](C)C1	2057599162	SYMIAGIMOPACFN-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@H]2CC3CCC2CC3)CC1	2058991077	GTXNTTLULYRHTR-CHQKBHSXSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1CCCC12CC2	2059225263	LKPVBYDJAOCLNB-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)[C@@H](C)C1CCC1	2061143775	MIYZZUJVXJRBTB-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)C2(C(C)C)CCC2)CC1	2061145956	CQACITOWYWRCDS-GOEBONIOSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CC2CC(=C3CCC3)C2)C1	2061702891	XFPWUNSSCJJYQT-SWLSCSKDSA-N	246.394	4.662	0	10	BJAE	
CC(C)c1ccc(NCC2CC(=C3CC3)C2)cc1	2061720138	GVSORYVCABSRPQ-UHFFFAOYSA-N	241.378	4.722	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCCCCC12CC2	2062019724	WSFHXSPAKZDHCL-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(N)CC2(C1)CC21CCC1	2064009632	AKYBNSDSZORNSO-NVPAJSRCSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CCC3CC2C3)CC1	2069355138	ZBJAOWMYSVDCON-WXGPCXSOSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@]1(C)CC1(CNC2CC2)CCCCCC1	2070962422	JMJYJKXNRRPUCC-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@]2(CN)CC23CCCC3)CC1	2072804028	OCFNGBHKLIASDR-VMBOVVBDSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C2CC3(CC3)C2)CC1	2072877515	HVJBDJSUPWSYOT-HDJSIYSDSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@H](CC)N(C)Cc1ccc(C)cc1	2073410567	HORSZLQWJHGYQQ-KRWDZBQOSA-N	247.426	4.786	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CCNC3(CCCC3)C2)C1	2074137977	GAQXDAQAGVBSOZ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](NC)[C@@]23CCCC[C@H]2CCC3)CC1	2074640034	AWLBTTCKGZLYHC-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1CN(C)[C@H](CC)CCC	2075232065	VISWEMDJQHPIQM-QGZVFWFLSA-N	247.426	4.650	0	10	BJAE	
CCCCN(C[C@]12CCCC[C@H]1C2)C1CCCC1	2076584734	IOXRYRNBSVTORO-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](CC)CC1)[C@@H]1C[C@H]1CC	2079221325	CQJNMTQMTUWOLH-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1=CCCC1)[C@@H]1C[C@@H]1C1CCCCCC1	2079478412	WMWLYSJODOPTKI-HZPDHXFCSA-N	246.394	4.662	0	10	BJAE	
CNCCCC(C)=C[C@@H]1C[C@H]1C1CCCCCC1	2079707715	VESSSPMIYJKSST-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@]1(C)C(=O)C[C@H]1C[C@H]1C1CCCCCC1	2079854724	XMCULIDBSHLTAC-UTXMOHQDSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1[C@@H](C)N[C@H](C)C(C)(C)CC	2081207543	VYEYYHDBYXRXMR-ZIAGYGMSSA-N	247.426	4.724	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC(F)=C1CCC1	2081598205	XKSAKUXGMDDZIJ-UHFFFAOYSA-N	248.341	4.905	0	10	BJAE	
CCCCCc1ccc(NCC=C2CCC2)cc1	2081678170	LHFMQCBXZOSTNB-UHFFFAOYSA-N	243.394	4.942	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCC2)CCCC(C)(C)C1	2081681673	CARWGKZYJVQZLQ-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CC2)CC1(CC)CCC1	2086346162	JPLKSLOBRJTALP-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](O)CCC1C[C@H]2CCC[C@H](C1)C2	2213294412	MDCIHYQXZQMXDC-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)C1CCCCC1	2214781661	YQYICNNFRVQKDX-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
NCCC1CC(CCCCCCCC2CC2)C1	2216879593	KXWYLARCIOWADK-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCC1CC(CN[C@@H](C)CC)(C[C@H](C)CC)C1	2217127677	DXSGLSWEXQGMBD-QVOMUQBLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC(C)(C)CC)C1CC1	2217146018	VLVXBZBFMFGIQC-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@H]1C[C@H]2CCCC[C@]2(C)C1	2218019250	UMMNRVUUOQCRFH-JYYAWHABSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)cc1	2218359863	VWUBKLLDNITOTD-ZSHCYNCHSA-N	243.394	4.623	0	10	BJAE	
O=C1CCCC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218375067	SHBAPPCXHGIGJS-QXSJWSMHSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1C[C@H]1CCC1(N)CC2(CCC(C)CC2)C1	2220875787	FVFWVNTXOCQELV-CHTYNLMKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)c1ccccc1C(C)C	2220962177	PFEPGTDGPYMEFX-UONOGXRCSA-N	244.378	4.819	0	10	BJAE	
C1CC[C@@H](CC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)NC1	2222918805	NXCFTZFUKDTKJD-NXOAAHMSSA-N	249.442	4.515	0	10	BJAE	
CC1CC(C(=O)C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2222953737	DUCVPICPPLSUJM-KEYQJZJPSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)Nc1cc(Cl)c(Cl)cc1C	2241458433	WEUIOAMFBJDGRX-QMMMGPOBSA-N	232.154	4.512	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@@H](CC)CCC	2244783998	MDOYBNNSZBAJGP-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H](CC)CCC	2244800673	HROSREYUOMRNTR-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](C)C(C)(C)N	2244866897	ITANATWMWQHISV-ZIAGYGMSSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC1CC2(CCCC2)C1	2246810255	YIKIRMWOHXCOHY-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCC[C@H]1C[C@H]1C)C(CC)CC	2247163171	FNGIJXRTTVBQOH-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)CCCC[C@H]1C[C@H]1C	2247168141	ZJUCTOMODJGJIW-ILXRZTDVSA-N	239.447	4.569	0	10	BJAE	
Cc1cccc(NCc2csc(C3CC3)c2)c1	2248073815	IXVKOXOPCHCACG-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)C1=CCCCCCC1	2250355305	KKUZBJFGDSXNHN-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cccc2ccsc12	2250362274	TYQVZFUDISTSTO-FZMZJTMJSA-N	247.407	4.727	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(N)CC[C@H](C)C1	2250513762	JRGQKJYQSTWRST-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](F)(CN)CC[C@H](C)CCCC(C)C	2250527701	JUKPAEKKVGIZNE-HUUCEWRRSA-N	245.426	4.696	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC[C@@H]1CN	2250531067	WPJRWKASHHKCIM-HRCADAONSA-N	239.447	4.604	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@]12CCCC[C@H]1CC2	2251125029	KDQFCCAJALLKID-XJKSGUPXSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@](C)(N)CC1CC(CC(C)(C)C)C1	2251501348	JLRHWQIKYLZYNN-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)C(C2CC2)C2CC2)C1	2253939040	PQZJIXZMBICGSI-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(F)c(NCC[C@@H]2CCC[C@@H](C)C2)c1	2253967186	FEMHICUNKSHEDA-OCCSQVGLSA-N	249.373	4.762	0	10	BJAE	
CCCN[C@H](CC1CC1)CC1CC2(CCCC2)C1	2254113531	ORRBBOCHSMWLCO-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(N[C@@H]1CCCCCC1(C)C)C2	2254151679	VAIYNRCAOBTZLH-UKEPKTAJSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@H]1CC1=CCCCC1	2255091674	MREHTQPARMAYQK-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CC(C)(C)C1CC(N)(CC[C@@H]2CCCC23CC3)C1	2255247542	RHKDYAORTCZVAD-CBCUQQMYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC[C@@H]1CCCC12CC2	2255279085	UUIMRYXGJDUVJF-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc(C(=O)CCCCC2CC2)cc1	2256240660	XDHJAMKXPPCSNS-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCCc1ccc(N[C@H](C)[C@H]2CC23CCC3)cc1	2256453270	WCPKOFXIEGODHQ-CZUORRHYSA-N	243.394	4.630	0	10	BJAE	
CC(C)CCCCC=C1[C@H]2CCC[C@H]1CC(N)C2	2257989439	APPPUJMOOHSNDY-KSCSMHSMSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)Cc1ccccc1C(C)C	2259445496	BJWTXHYOJQVQFI-RHSMWYFYSA-N	247.426	4.506	0	10	BJAE	
Cc1ccc(NC[C@@]23CCCC[C@@H]2CC3)c(C)c1	2260613316	DQWVTYXPKMSMRX-WBVHZDCISA-N	243.394	4.686	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCC[C@@H]1C[C@@H]1C	2297867444	HTQRFRLDSALKKS-QLFBSQMISA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@]12CCC[C@@H]1CC2	2298705782	KEHPHUBKKYPUCS-FMKPAKJESA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CCCC(C)(C)C1	2300675551	GIJVVQRLISNTNM-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@]1(C)CC=CCC1	2300698071	WMMCIEOUJFQMIV-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@@H](O)CCC1CC1)CCCC(C)C	2300865810	RVTUSEQZFRYTSE-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1cccc2ccsc12	2301827492	BRVVNKYYGSNAEN-VXGBXAGGSA-N	247.407	4.994	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@H](C)[C@H](C)C(C)C	2301964681	MKLKCZCCYUTLRY-RBSFLKMASA-N	240.431	4.946	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2nc(CCC3CC3)cs2)C1	2302264212	ACDNZHIUGMNJID-DGCLKSJQSA-N	249.423	4.779	0	10	BJAE	
CC1CCC(CC(=O)CCC[C@H]2C[C@H]2C)CC1	2302609233	DNPZSLCKAUBOOK-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C)CC(C)(C)C[C@@H]1CCC(C)(C)C1	2302750763	LQNFUZXWLBWVRK-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC(O)(CCC)CC[C@@H]1CC[C@@H]1C1CC1	2303067198	MXRICOOIKTZZBO-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC1(CCCC(=O)[C@@H]2CC[C@H]2C(C)(C)C)CC1	2303396931	CZANJERUXIUJNR-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303514056	WCTYBKMBSMWTTO-FRRDWIJNSA-N	238.415	4.700	0	10	BJAE	
CC1(Cc2cc(Cl)c3ccccc3n2)CCC1	2304033417	RUMIYZMVRMAMPH-UHFFFAOYSA-N	245.753	4.621	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC(C)(C)C1)[C@@H](C)CC	2304413474	ZOTIHGMIZXPZFA-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC[C@H]1CCC(C)(C)C1	2304431830	OROSZCUMMAECLT-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C(=O)CC[C@@H]1CCC(C)(C)C1)C(C)C	2304437086	VRQDVBPOGDQMBR-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C)CN(CC)CC[C@@H]1CCC(C)(C)C1	2304439113	GVRGTPJBQLBVON-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CCC(C)(C)[C@@H](O)c1cc(C)ccc1C(C)C	2307502984	IVLGWRYBUVCWNL-HNNXBMFYSA-N	234.383	4.588	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H]1CCCC2(CC2)C1	2307829772	WYOGPJLYNZPURZ-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(F)c1ccc(N)cc1	2307909161	JPNXJXONKFSYHN-SWLSCSKDSA-N	237.362	4.670	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@@H]1CCC[C@H]1C	2308259303	CQANVFNXKLKEGY-KEYYUXOJSA-N	246.394	4.670	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@H](NCCCCC1CC1)C2	2308401494	WUPFUTCBUYCVDM-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC[C@@]23CCC[C@@H]2C3)CC1	2310388397	XIKMNPONUMKXHJ-YLFCFFPRSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)CCC[C@@H]3CC[C@@H]32)C1	2311893018	RVEBWBNYLHXWQV-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313187152	RYLVUFWWOUXZFY-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC(CC1CC1)CC1CC1	2313594042	OIGJETHFPXYKRV-CXAGYDPISA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)CCCC(C)C)cc1O	2315954027	MCSSSSKQAAPESA-AWEZNQCLSA-N	249.398	4.636	0	10	BJAE	
CC(=CCN[C@@H]1C=CCC[C@H]1C)CCCC(C)C	2316498552	CWPONOYTLGWYLW-IAGOWNOFSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@]1(C)CC=CCC1	2316504790	WFYLVMFSWXKZQK-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CCCC[C@]1(CNCCC)C[C@H]2C=C[C@H]1CCC2	2316665574	JTOXZHMRYDSKAG-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CC1	2317004452	NMJSVFMAWWQZAY-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H]1CC(C)(C)[C@H]1C	2318259877	VKDJEJHBGNFZJS-WFASDCNBSA-N	244.378	4.504	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)CC23CCC(CC2)C3)C1	2319122008	RPSZRELYMHIMNO-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc([C@@H](N)CC[C@H]2CCC(C)(C)C2)c1	2319317212	JHJQTTCOYQYDLY-HOCLYGCPSA-N	245.410	4.601	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@H](N)[C@]1(C)CC=CCC1	2320256337	QNZNANAHAPWGEP-KLZNWCGWSA-N	249.442	4.523	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC2CC2)CCC(C)=C(C)C1	2320396890	KHHOWZTUFBKQOU-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)[C@@]12CCCC[C@@H]1CCC2	2320403858	REDDJYVDLUSVLT-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCC(C)(C)C2)c(C)c1	2321597942	CAPKQLSEGUVHKC-HNNXBMFYSA-N	245.410	4.932	0	10	BJAE	
CC1(C)CC[C@@H](CCn2ccc3ccccc32)C1	2321632730	HFZVOSJNFNMIBS-AWEZNQCLSA-N	241.378	4.858	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)CC2=CCCCC2)C1	2321639184	IPALAALUZACWDP-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H]2C(=O)C[C@H]3CC[C@H]2C3)C1	2321649047	NFDLMLGDHMOFCJ-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@](O)(c1cc(C)ccc1C(C)C)C1CC1	2327700549	BXXJDZUNZOBGDD-KRWDZBQOSA-N	246.394	4.516	0	10	BJAE	
CC(C)c1cccc(NC[C@@]23CCC[C@@H]2C3)c1F	2327781272	QDXFCBKQNRYUPL-WBMJQRKESA-N	247.357	4.551	0	10	BJAE	
CCC[C@H](C=C1CCC[C@H]1[C@@H]1CCCCN1)CC	2328086273	QYZAOWCLSLRDHQ-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc2c(c1)CCC2	19994289	YQPWYDLHVGNMQS-BBRMVZONSA-N	245.410	4.802	0	10	BJAE	
CCCCc1ccc(N[C@H](C)c2ccco2)cc1	20564156	FRHRAGULEQSXBE-CYBMUJFWSA-N	243.350	4.795	0	10	BJAE	
CCCCCCN[C@@H](c1ccccc1)C(C)C	35046576	PJSAEADEZVDCCW-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C(C)C)cc1C(C)C	35582322	SWJUGWVODFIPDY-AWEZNQCLSA-N	247.426	4.994	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CC(C)(C)C)cc1	36940785	LXYKXMXZVPBNOS-LBPRGKRZSA-N	232.367	4.819	0	10	BJAE	
CCCCCN[C@H](CC(C)(C)C)c1ccccc1	37128413	SRKHIZMUZAHXHV-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
Cc1cccc(-c2cccc(C(=O)C(C)C)c2)c1	49829363	KFRSVXREYSEPOE-UHFFFAOYSA-N	238.330	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCCC(=O)C1	70740367	SPUFDHJDSNTGFL-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCC[C@H](C2CC2)C1	81624163	MNCLISXGMULYOR-ZFWWWQNUSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)C[C@@H](C)NCC	82810581	WRYCZDVAGKIJKR-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1Nc1ccc2sccc2c1	83390364	NVDGNTFWIZFALU-ZWNOBZJWSA-N	231.364	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Nc1c(Cl)cccc1Cl	83847761	MCLJGJLFDFXESW-KCJUWKMLSA-N	244.165	4.594	0	10	BJAE	
CCCNC[C@H](c1cccc(C)c1)C(CC)CC	94675631	KDROUEGIRWLAPB-KRWDZBQOSA-N	247.426	4.514	0	10	BJAE	
CCC[C@@H](C)c1ccc([C@H](C)CCC)c(N)c1N	95930835	MIZDJFUBTLMGHJ-VXGBXAGGSA-N	248.414	4.658	0	10	BJAE	
CCCC[C@H]1C[C@H](C(C)C)CC[C@@H]1NCCC	103939014	RLILLXAIOGSKCK-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C)c1ccc(CCC)cc1	103976724	KLJIUKLSAKYZLH-HUUCEWRRSA-N	247.426	4.868	0	10	BJAE	
CCCOc1cc(C)ccc1NC[C@H](C)CCC	109909774	BOJDCNNMXASJLW-CQSZACIVSA-N	249.398	4.632	0	10	BJAE	
CCc1cccc([C@H](O)C[C@@H](C)CC(C)(C)C)c1	132897553	IPJBCMREJWCDLJ-CZUORRHYSA-N	248.410	4.745	0	10	BJAE	
CCCCCC[C@H](NCC)c1sccc1C	133712386	DBMPYFSYNGPZFQ-ZDUSSCGKSA-N	239.428	4.678	0	10	BJAE	
Cc1ccc(C)c2c1[nH]c1ccc(Cl)cc12	136527341	WGALHADPZRFJQC-UHFFFAOYSA-N	229.710	4.591	0	10	BJAE	
CC(C)CCCc1ccc(Cl)c(Cl)c1	148215846	DCCAGHWYMXYZSP-UHFFFAOYSA-N	231.166	4.972	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@H](C)C(C)C	160990719	CEUVHBBFFQDWMM-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CN[C@@H]1CCCC(C)(C)CC1)C(C)(C)C	162622155	UIWIEUDIZPZBTO-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@H](N)[C@@H]2CCCCC2(C)C)c(C)c1	226543664	SICRMGRECUVSRM-HOTGVXAUSA-N	245.410	4.520	0	10	BJAE	
CC1(C)[C@H](O)[C@H]2CCCCCCCCCC[C@H]21	227346464	HPYZGZBIZRWWQQ-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@]1(O)CCC[C@@H](CCC)CC1	233340717	CPQUAVVAFAHUNK-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@@H](CC)c1ccccc1	233350789	ZJQKSAKRDABKLP-BHYGNILZSA-N	247.426	4.595	0	10	BJAE	
Cc1nc(-c2ccc(C(C)(C)C)cc2C)cs1	259316443	PKAQQYLEHXLYSX-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
CCN[C@H](CC)CCCCC1CCCCC1	300747908	JZGOGWMZHPFIIZ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)c1ccoc1C	302242270	FRGPQOOEYGBCBW-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
Cc1ccc([C@@](C)(O)CCC2CCCCC2)cc1	302242977	GGWMUEHGPQLDBN-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
Cc1cccc(CCC(=O)C[C@H](C)CC(C)C)c1	302308849	IBQZGSBDASAEDD-OAHLLOKOSA-N	246.394	4.569	0	10	BJAE	
Cc1csc2ccc(Cl)c(Cl)c12	306592958	INXGUWGKBIEZFE-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
Fc1cc(Cl)c2sc(C(F)F)cc2c1	307073503	ABDWLBQRQRRTLL-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CC1(CC)CCC1	308056624	OWIAGSQVVBNRRW-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1NCC(C)(C)C1=CCCC1	308760626	XLFURLZAQXUJSC-FOLVSLTJSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCC[C@H]1CNCC(C)(C)C1=CCCC1	308771754	WFCCZOIMYZTZHR-GJZGRUSLSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)C1(CC)CC1	310112062	ASBMFCUVGMFMDH-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](c1ccccc1C)[C@@H](C)[C@@H](C)CC	318861482	JPYUESLHDDMNSX-QRTARXTBSA-N	247.426	4.718	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)CC1CCC(C)CC1	380133274	DYRWMBVOGGKBTP-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H]([C@H]2C=CCCCCC2)C1	380738284	KEUDYEAISOGOLA-XHSDSOJGSA-N	248.410	4.764	0	10	BJAE	
CC[C@H](NCCCCCC(C)C)c1ccccc1	383186003	NVTQYWOWGZTMQC-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
CC(C)CCCCCNCC1CCC(C)CC1	383242293	IWYKAPAJXMMKRU-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)C[C@@H](C)c1ccccc1	384728773	JMMHZAOSGPWZQO-CABCVRRESA-N	247.426	4.595	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H](C)c1ccccc1)C(C)(C)C	384854320	GGJUVVAHWFNWLN-KGLIPLIRSA-N	246.394	4.822	0	10	BJAE	
CNC[C@@H]1CC[C@H](C)C[C@H]1CCC1=CCCCC1	384901792	AQPQZJAGGOOMMP-UAGQMJEPSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@H](N)c1ccc2sccc2c1	386216846	IVXYNWNTQAGBNX-AWEZNQCLSA-N	247.407	4.872	0	10	BJAE	
CCc1ccccc1[C@H](C[C@@H](C)C(C)(C)C)NC	386679274	XYRHYOSHYVOONS-CJNGLKHVSA-N	247.426	4.582	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@H]2CC23CCCCC3)CC(C)(C)C1	387266081	LOZNBLRHOPXCKD-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCCC1CCCCCC1	394570728	LQBQCDHTQHFBSF-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)CNc1ccccc1C	395164448	VVCMIPUNKYFWSR-UHFFFAOYSA-N	219.372	4.623	0	10	BJAE	
C[C@H]1CCC[C@H](NCCCC2CCCCC2)C1	395276492	XSBBTVGVBPULBD-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)CCC1CCCCC1	395616375	GQGCXLAFYUYADK-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@H](C)C2CCC2)Nc2ccccc21	398680032	XKZKANRYOVNBIB-NFAWXSAZSA-N	243.394	4.801	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@@H](C)C(C)(C)C	399181453	OWBAOSCDSNULNH-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1cc(C)cc(F)c1	401851806	VEWPUNOPQVPVHE-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@@H]2CCC[C@@H](C)C2)c1	688937395	HKTBCXWIRRLKDD-UNEWFSDZSA-N	246.394	4.670	0	10	BJAE	
CC(C)C[C@@H](C)CNc1ccc(C2CC2)cc1	690088706	NBBOPFZVNAQBHA-CYBMUJFWSA-N	231.383	4.658	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccc(C3CC3)cc2)CC1	690101524	CWFIDVLPHOCNQD-BBRMVZONSA-N	243.394	4.945	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCCCC[C@H]1C(C)C	691127770	MPZOLHVOKWIHBO-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCC12CCCC2	693899151	MWCUMMKNRSYXFE-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CNc1c(Cl)cccc1CC1CCCCC1	694961191	XYYOXMXJHTVTOS-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CCC[C@@H](NC1CCC2(CC1)CC2)[C@@H]1CC1(C)C	695697113	INRSAGVKPMRKIF-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(C(C)(C)CC)CC1	700914874	SRAYEGUTWHWIRV-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC[C@](O)(c1cccc(C(C)C)c1)C1CCCC1	701548587	JCCKZUDSERSURX-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C1CCCCCC1	704473019	NCXGFKGQUNTCAG-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)C(=O)[C@H]1CCCC[C@H]1C	704962608	QKALNLRZPKWNFK-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CCCCC1(C)C	704993780	NAXOYWWHMOVJEN-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)Oc1cccc2sccc12	705065728	JVTYVRPCWFIDIM-NSHDSACASA-N	234.364	4.715	0	10	BJAE	
CC(C)CCCCC[C@@](O)(C1CCC1)C1CC1	705388010	VYXPZPWSTFAGAI-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@@H]2CCC[C@@H]21	707808825	IBNMFLWDSDJRLT-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(N)[C@]12CCCC[C@@H]1C2	709278416	PGMZZQKOXVJORK-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C23CCC(CC2)CC3)C1	710323645	KPXDBCIBDIQCBD-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)C[C@H]3CC[C@H](C3)C2)CC1	711189687	AHSUPCNGPKCPRX-SCAQPMJSSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](CC(C)(C)C(C)C)NC	713188798	GBIVXCLYJSDHLU-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
O=C(c1cccs1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714476707	SEZWMCUPAYXXIC-FRRDWIJNSA-N	248.391	4.537	0	10	BJAE	
CCC[C@@](O)(CCC(C)=C(C)C)C(C)(C)C	718753125	HPUOSQFEECIAHF-OAHLLOKOSA-N	226.404	4.700	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CC2)C1(C)CCCCC1	722629767	CTTNZAAJLLVOET-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](NCCC2CC=CC2)C1	724204923	JXKXQEPNFRLLFY-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(OC2CCCCC2)c1C(C)C	725427223	XVOPBXZFOAIGHH-UHFFFAOYSA-N	232.367	4.830	0	10	BJAE	
CCC[C@H](C)CCN[C@H](CC)C[C@H](C)CC	1653035493	SRIJNLNWRBLVSH-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](CC)CN[C@@H](C)CC	1900701292	LHUCTRXMHIPHBH-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)CCCCC1CC1	1902155195	DYSGDULYOIAEPC-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCc1cscc1N[C@@H](CC)C[C@@H](C)CC	1902390746	NFLFVEWGURYHNO-AAEUAGOBSA-N	239.428	4.937	0	10	BJAE	
CCCC[C@H](CC)c1nc([C@H]2C[C@H]2C)cs1	1905259237	MFHIHYCBTWQXQS-WOPDTQHZSA-N	237.412	4.950	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](N)C1CCCCC1	1905359722	FJDOHXQEZVEKGX-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H](C)C(C)(C)C	1911869792	JBJXTZBGWVRHPT-GJZGRUSLSA-N	237.431	4.559	0	10	BJAE	
CCC=C[C@@H](C)Cc1ccc(C(C)C)cc1	1912104863	AQECTWBFOBBLQD-CQSZACIVSA-N	216.368	4.955	0	10	BJAE	
CC(C)(C)CC[C@H](N)C1CC2(CCCCC2)C1	1912631008	QUDGOHVSGUSHNV-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCC1CC(CNC(C)(C)C)([C@@H](C)CC)C1	1921259671	PJQYKPZZRVRMEB-HLIUYOAVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC1C[C@H]2CCC[C@H](C1)C2	1923480267	LOGIHHXNWZPANQ-AESZEHBQSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)[C@@H](C)C1CCCCC1	1924136032	PQYRDZCSDIRGBB-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC)(C[C@@H]2C=CCCCC2)C1	1925802545	LWFSBGSVXHEBCW-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C[C@@H]1C=CCCCC1	1925915669	QQYJOYSSGUSAEL-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)C[C@@H](C)C1CC1	1925916125	SDDFEZYXJQFYAW-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@@H](C)CC	1925917632	ZQIVEHYFTKJLQF-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC1(CCCC(=O)C(C)(C)C(C)(C)C)CC1	1935939955	MJXXCQGDJKAPCN-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1CC(C)C1)NCC	1940680961	BGZNRQFXSVQGIN-SSHXOBKSSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H](C)[C@@H](C)CC	1940935103	JLTJPELTNBLSMD-STQMWFEESA-N	232.367	4.504	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](C)c1ccc(N)cc1	1940964522	BQEDSDHIEBBBML-IOASZLSFSA-N	231.383	4.589	0	10	BJAE	
CC1CCC(C[C@@H](C)c2ccc(N)cc2)CC1	1940965345	GJVNCZPOMNAXOU-ROKHWSDSSA-N	231.383	4.589	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)C(C)(C)C1CC1	1941135690	JVVXQFXDCKIDCC-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@@H](CC(C)C)C(C)C	1941267561	UDRZSCBUDRZOBR-JKSUJKDBSA-N	241.463	4.719	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H](O)CCCCCC1CC1	1941574464	BASGJCGHNPCAGE-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@@H](NCC)[C@@H](C)CCC(C)C)CC1	1942653848	VGNRGOUCMBXTOL-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H]([C@H](C)CCC(C)C)C1	1942657475	FTAQRDMGDMGIKL-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@@H](C)CCC(C)C	1942663147	OYONIUVDTROOAW-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C[C@@H](C)C1CC1	1944524575	LAURFNSPWHRIIV-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C(C)(C)C(C)C	1944668119	KHCFGWYAPFWSEX-HNNXBMFYSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@@H]1CCC[C@H]1C)NC	1944846060	MGIQXXMTGFGJPC-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC(C)(NC1CCCCCC1)C1CCCCC1	1945381892	JNIRHWMWFCMROU-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](CC)C[C@H](F)[C@@H](CN)CC(C)C	1945814442	KSXNIKZFTVTNHQ-ZNMIVQPWSA-N	245.426	4.552	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cc(C)cc(C)c1	1947460826	LJSNJHNVSZQURG-GOEBONIOSA-N	231.383	4.684	0	10	BJAE	
CCC1CCC(C[C@H](O)CC2CCCC2)CC1	1949868278	FZRBZFAPDHLMFV-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@]1(CNCC)CCC[C@H](C)CC1	1950929969	LOBKWTWJIQCYNB-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](NCC1(C)CC(C)C1)c1ccccc1	1966139366	AGOVZPFRJUVRES-WIHSUSGWSA-N	245.410	4.554	0	10	BJAE	
CCCc1ccccc1CN(CC)CC(C)(C)C	1966263165	QGSCZXWVOVHQTH-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
CC1(C)CC[C@@H](Nc2ccc(C3(C)CC3)cc2)C1	1967851375	XADBPZWDNIFKRI-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
Cc1ccc(C)c(OCC[C@H]2CCC[C@@H](C)C2)c1	1968307348	INUDUHJUETZMCF-CZUORRHYSA-N	246.394	4.899	0	10	BJAE	
CC[C@H](Nc1cc(C)ccc1F)C1CCCCC1	1968341731	PNJUMRPBPSLCGB-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CCC1CCC(CNc2c(C)cccc2C)CC1	1968352305	VFNNWNMMPPRDBX-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
CCC(CC)[C@H](C)NC1CC(C)(C)C(C)(C)C1	1969176985	MKCXPEASDLMCTQ-LBPRGKRZSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)N(CC)Cc1ccc(C(C)C)cc1	1969518320	OIPQNPRRNGZCRH-UHFFFAOYSA-N	247.426	4.821	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCCCCCCCC1	1970125081	GNWQFXOIGLLGSY-MRXNPFEDSA-N	239.447	4.857	0	10	BJAE	
C[C@@H](CC1CC1)N[C@@H]1CCCC2(CCCCC2)C1	1970520264	INBVFQVZWAUMAR-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
C[C@H](N[C@@H](C)C12CCC(CC1)C2)C1CCCCC1	1973849706	RZKGMPPLMZLFGA-JPQBHMHHSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC(=O)c1csc(C(F)F)c1	1978583474	VZODNHAKRQOCKY-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CC(C)=C(C)CNc1cccc(C(C)C)c1	1989620379	YBDIPMPHIBEGBQ-UHFFFAOYSA-N	217.356	4.578	0	10	BJAE	
CCCCC[C@@](O)(CC)CCCC(C)(C)C	1990091059	JQLKCTBALUGVJL-HNNXBMFYSA-N	228.420	4.924	0	10	BJAE	
CCC(CC)N(C)C1CCCCCCCC1	1990814010	MXNOBMAQHYULNQ-UHFFFAOYSA-N	225.420	4.610	0	10	BJAE	
CCc1cscc1-c1nc(C2CCC2)cs1	1995472656	ZXKSRXRBDOCUEA-UHFFFAOYSA-N	249.404	4.702	0	10	BJAE	
CC(C)(C)CCC[C@](C)(N)C12CCC(CC1)C2	1995989269	VZBXBIYHVYQCSV-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@]1(O)CCCC2(CCC2)C1)C(C)(C)C	1997041336	AMZHYMHUELAVGF-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@H]([C@@H](N)C[C@@H]1CCC=CCCC1)C(C)(C)C	1999988543	RHHAEMGTYYKVEY-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCC=CCCC1)NCC	1999991005	OCJRCYCLUPZZIX-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H]1CCC=CCCC1	2000002558	YWZVUACSOCJZDM-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@H]1C=CCC1	2000506168	YTKHFRGZHBBHIK-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@H]1CC1(C)C	2000516450	WRDRGQFLYRIZKT-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H]1CCCCCC1(F)F	2000764445	MEGCAHWVXHQNFA-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@@]1(C)CC=CCC1	2001702452	YRVUJKQJWDNYOG-HNNXBMFYSA-N	249.785	4.807	0	10	BJAE	
CCCCCCN[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003007335	PSVOXASBQHBLPS-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CN[C@@H](C)[C@H]1CCCC(C)(C)C1	2003021022	PTLFZTLEAHKWME-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](CC=C(C)C)NC)CC1	2004227361	RWXSQEBBIFQYGS-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CC[C@@H]1CCCCC[C@H]1CNC(C)C	2004229379	ZRPAQZGBHLRIRG-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]1C[C@@H](CCCC(C)C)C[C@@H](C)C1	2006623045	GZZKDYQBXMMHJM-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1C[C@H](C(C)(CC)CC)CC[C@H]1C	2006945125	JFNLVBBOHQNFPL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC1CC(COc2cccc3sccc23)C1	2007766557	XXAVSBUUYDEOBA-UHFFFAOYSA-N	246.375	4.716	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC(CC)CC)[C@@H]1CC	2009250602	XYQINHYWRSBGOC-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)C1=CCC(C)(C)CC1	2010727711	YWWGJTQVZAHWSZ-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC1=CC[C@@H](CC)CC1)C(C)(C)C	2010770293	XNPQUGXHXKMBKT-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C1CC1)C(CC)(CC)CC	2011186119	HPPIEVHZPMUYGV-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC1([C@@](C)(O)CCC2CCCCC2)CCCC1	2014326895	SSXIRMXTEPBALG-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H](C)C1(C)CCCC1	2014370099	OXULDPXLGKNITR-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)C1CCCCCC1	2015268655	FHHMJZACRLYVBP-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)C)[C@H](CC(C)C)C(C)C	2015292028	XGYPMYGWCBVOAB-BZUAXINKSA-N	241.463	4.575	0	10	BJAE	
CCCC1(C[C@H](O)CC(C)(C)C2CC2)CCC1	2015634871	UAKCTVFWGWJWAW-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CN(C)CC1(C(C)(C)C)CCC1	2017128731	GLULBSMZNHYCBF-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@@H](C)C2)CC1	2017727896	FOGJRXOCIFASKX-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(CC(=O)C2(C)CC(C)C2)CC1	2017774765	SOSNUVLNQMZIEP-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)C2(CC)CC2)CC1	2017776038	KEGVKEHODZLMRW-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](CCC(=O)C2CCCC2)CC1	2017776521	PWQKMOKXFJRCBZ-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)c1ccc2sccc2c1	2017795338	AAQRJRFNCWFOHM-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1[C@@H](C)[C@H](C)CC[C@H]1C	2018074284	HMTWFMPYWLTIIB-RBGFHDKUSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1C[C@H]2CC[C@H]1C2	2018132443	TWUFPZNHIQVVCG-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@](C)(N)[C@H]2CCC[C@@H](C)C2)CC1	2018922595	AKCVVXVIPKSYOQ-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H]2C[C@H](C(C)C)CCC2=O)CC1	2018926050	XPLMYABFKUDPBM-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCN(C1CCCCCC1)[C@H]1CC[C@@H](C)C1	2020506557	SQUSXYMHRQZTFO-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CCCCN(C[C@@H]1C[C@@H]1C(C)(C)C)[C@H](C)CC	2022619543	GDXLYSSTPLRACV-ILXRZTDVSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCCCC(C)(F)F	2023297891	UOIKJIBXQCIUEM-QWHCGFSZSA-N	249.389	4.746	0	10	BJAE	
CC(C)C(O)(C[C@H]1CCCC(C)(C)C1)C(C)C	2024128928	QPIBQYNGZAEXEF-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](O)C2CCCCC2)C1	2024129950	ZHTYLZDUVFAHEZ-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@](N)(CCC2CCCCC2)C1(C)C	2025003051	FOKPCQWEBSFEND-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCC)C(C)=C(C)C	2026058188	CJHDVYRKKOEJBM-HOCLYGCPSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC1(CC)CCC1	2026148846	XJQYTCOIZSASKI-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CC(C)CC[C@@](C)(N)Cc1ccccc1C(C)C	2027466276	OPDDHRVEXLKIQC-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
C[C@H]1CCc2cc(CCCC3(C)CC3)ccc2N1	2027838342	YLYBXPGWWYFISQ-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@@H]2C[C@H]2C(C)C)cc1	2028465970	PTINUOXXAZVDHP-RRQGHBQHSA-N	245.410	4.505	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1)[C@@H](C)CCC(C)C	2029838110	REUMMUVVBHQUHM-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CN[C@H](CC1(C)CCC1)[C@]12CCCC[C@H]1CCC2	2031754106	GZLBHLZWPBKWDV-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](NC[C@@]23CCCC[C@@H]2CCC3)C1	2031809300	QUGDFKRPEPAGAV-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CC1(CCCC(=O)[C@@]23CCCC[C@@H]2CCC3)CC1	2031847312	KPFIYXSYENSBFZ-RHSMWYFYSA-N	248.410	4.886	0	10	BJAE	
Cc1cc(F)ccc1NCC(C)(C)C1CCCC1	2034018165	FALDKHXFYWLWCC-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@@H]1CCCC2(CCCC2)C1	2034371451	QCOGCVBROPNMFG-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1Nc1ccc(C2CC2)cc1	2035415707	ONVAUDHSFREQLO-SJORKVTESA-N	243.394	4.801	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)c1c(C)coc1C	2035532721	HMIAPOLEEFZIOG-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2C=CCC2)CCCC1(C)C	2035590680	UATWHMMICPHKEK-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C1CCC(C)CC1	2037105916	VGBWJDZEQLLJLI-INTUILBWSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1c1ccc([C@H](N)CCCC(C)(C)C)o1	2037106125	ZEHVNMCVMBZWPQ-FRRDWIJNSA-N	249.398	4.619	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)CCC1=CCCCC1	2037174784	OLHGJZHNUPTKHH-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCCNCCC=C(C)[C@H]1CCC2(CCCC2)C1	2037692382	FEIYSMPTGXWUCD-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H]1CCCC2(CCCC2)C1	2038354852	QJBCZKXDGZOJKX-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCC1(CC(=O)C2CC3(C2)CC(C)(C)C3)CCC1	2039418725	XKZFQJHARZFDOR-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1CCC([C@H](C)N[C@@H]2CCCC23CCC3)CC1	2040641635	OMJTXALNGZSNSX-BHDPWAOGSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](NCC=CC1CC1)C1CCC(C)(C)CC1	2040681530	URCTVKWTIWQAJD-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)c1ccc(CC)cc1	2040725361	FZJAELKGYAMOGT-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CC)[C@]1(C)CC=CCC1	2042018421	FGOMDOMZDSVLKQ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1CCC([C@H](C)NC[C@@]2(C)CC=CCC2)CC1	2042068234	UDIGLQJVRXDFNL-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
C1=CCC[C@@H](CNCCC2=CCCCC2)CCC1	2045328475	FNXPJVDXDPSTIH-QGZVFWFLSA-N	247.426	4.603	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C[C@H]1CCC=CCCC1	2045328832	IPHJTQLALFKSQB-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2[C@H]3CCCCC[C@H]32)CC1	2048386285	YNIVXSFJTRGKTD-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(N)(CC2[C@@H]3CCCCC[C@@H]23)CC1	2048445539	BKLYXDMALQWVJJ-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(OC[C@H]2[C@H]3CCCCC[C@H]32)cc1C	2048479347	ZBRSBTRQDFYQRY-BJWYYQGGSA-N	244.378	4.509	0	10	BJAE	
C[C@H](N[C@@H](C)[C@@H]1CCCC(C)(C)C1)c1ccco1	2049528958	MVGLCMVQLITSSQ-MELADBBJSA-N	249.398	4.535	0	10	BJAE	
N[C@H](CC[C@H]1CCC2(CC2)C1)CC1CCCCC1	2049844418	AKQHEMZXHOSMSZ-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1CCC2(CC1)CC2)c1ccc(N)cc1	2049848759	LNOBPCSACXASEX-CYBMUJFWSA-N	243.394	4.733	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2C[C@H]1CCC2(CC2)C1	2049859186	QDCGYEJXCRDYEQ-ZIAGYGMSSA-N	241.378	4.556	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@]2(C)C=CCCC2)C1	2050001250	WJSWAGNVGLOFLP-WBTNSWJXSA-N	248.410	4.764	0	10	BJAE	
Cc1ccc([C@@H](O)CCCC(C)(C)C2CC2)cc1	2050432565	WPYLQFJXAWEIFN-INIZCTEOSA-N	246.394	4.635	0	10	BJAE	
Cc1cccc(C(=O)CCCC2CCCCC2)c1	2050455256	CUHDWQLOVQMHLW-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CCCC23CCCC3)CCC1	2055539274	HZJOBLJLDIADGT-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC1=C(C)[C@@H](NCC2(C)CCCCCC2)CCC1	2055551470	YPPJWLVECUYMBC-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC(C)(CCC1(CN)CCC2(CC1)CC2)C1CC1	2056524798	ZWBZSICOKGBJOS-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C1(C2CC2)CCCC1	2057599931	YDVQHPJSMWAYLU-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@]12CC[C@@H](NC3CCCCCCC3)[C@@H]1C2	2058567027	TYWSMBXSUBNMPC-GVDBMIGSSA-N	249.442	4.514	0	10	BJAE	
CC=CCCC[C@H](CC1C[C@@H]2C[C@H]2C1)NCCC	2059251243	YIZOIUYRTGEFAN-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1CC[C@H]2C[C@@H]2C1	2059255452	HXJPBWJOSZFTEW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC=C([C@](C)(N)C2CCC(C)(C)CC2)CC1	2060908109	CFWAXSVGUQTXAL-GUYCJALGSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCC3(CCCC3)C2)CC1	2061122915	SPUUQEJCHDCEKS-RHSMWYFYSA-N	247.426	4.565	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC[C@@]23CCC[C@H]2C3)C1	2061606629	MRDDGVKZYCPGCV-NZUILWFCSA-N	246.394	4.518	0	10	BJAE	
CC(C)CNCC(C)(C)CC1CC(=C2CCC2)C1	2061741260	JEAQJULNICXXFN-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)c1ccccc1C1CC1	2062630132	KEOKRNACEMZABD-OCCSQVGLSA-N	242.362	4.573	0	10	BJAE	
CCC[C@@](N)(CC1CC2(C1)CC(C)(C)C2)C1CC1	2063205339	ZCNZKAQHDRUWJS-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)CC2C[C@H]3CCC[C@@H]3C2)CCCCC1	2063524941	QADHFLSMZXXPQM-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](NCC12CCCC1CCC2)C1CCC1	2063904940	DFBWAYYXCSAFAW-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CCCC1)CC12CCC(CC1)CC2	2065303195	PDMFPNNUXSCILT-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CC1CCCC1)CC12CCC(CC1)CC2	2065305093	HHNHFIPZCHTHLH-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(N)CC12CCC(CC1)CC2	2065337054	JIRGVYCTAVZMRB-DXCHVLGVSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)(CC)CNc1cc(O)c(C)cc1C	2065473516	ZIOAUMMBKUPIJV-UHFFFAOYSA-N	249.398	4.637	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C)c1ccc(C)cc1	2065990775	QVCKSBGFDWMWBU-WBVHZDCISA-N	247.426	4.860	0	10	BJAE	
CCN[C@@H](CCC[C@H](C)C(C)C)c1ccccc1	2069009243	IZEPQOMZZHCUIV-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
CCCC1(C[C@@H](NCC)c2occc2C)CCC1	2069345238	SBMSJGAYRNHNLB-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CC1(CC(=O)C2(CC3CCC3)CC2)CCCCC1	2069570666	NDCXXAQQGZPSLO-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C1CCCCC(NC[C@H]2CC3CC2C3)CCCC1	2072031538	CJCPCZSSPGTVFD-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CNC1CCC2(CCCCC2)CC1	2072410161	WTTWQVAYIGSEKP-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1ccccc1CC	2072416555	GXMZRNKYOKIIPN-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
Cc1cccc(C(=O)CC[C@]23CCCC[C@@H]2C3)c1	2074050700	LHVZHSKSAMXXKZ-WBVHZDCISA-N	242.362	4.538	0	10	BJAE	
CCCC1(C[C@](N)(CC)c2ccc(C)cc2)CC1	2074629989	VAVAKKUJIGFFHU-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CCC1(C[C@@H](NC)[C@@H]2CCCCC23CCC3)CC1	2074649067	PPYHBYDAPJULLZ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N2CCC[C@]3(C)CCC[C@@H]23)CC1	2074863172	DAPZUDHSULLMGW-BACDZXNISA-N	249.442	4.610	0	10	BJAE	
CCc1ccc(CN(C)CCC(CC)CC)cc1	2074916866	PVVVNKWDEJVJHA-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1CC12CCCCC2	2077184049	FKXSXNBMGBCNDZ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC=C(CC)[C@@H](CC12CCC(CC1)C2)NCCC	2077188057	SMHJEKSDXMESRG-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cc(C(F)F)n([C@@H](C)C(C)(C)C)n1	2079124955	NKQGSXSYWRNUNY-VIFPVBQESA-N	244.329	4.551	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2C[C@@H]2C2CCC2)CC1	2079329518	SDVFWZBVSHTKNW-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2C[C@H]2C2CCCC2)CCC1	2079488135	TYBOVPNXWMSOGT-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](N)c1ccc(C(C)C)cc1	2079632451	HOTSUOHOKLYZPD-IXDOHACOSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@]1(CNC(C)C)CC=CCC1	2079670044	KKGGAROBPIWLLU-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC1(CC[C@H](N)C[C@@H]2C[C@H]2C2CCCCC2)CC1	2079726239	RNBXRUTZOGQAAK-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079820936	STFQGSKTAAGFNJ-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C(C2CC2)C2CC2)C1	2082977855	BRXARUQDVFWZMY-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@H]1CCCC(C)(C)C1)c1ccoc1	2082980391	VBHBBUPSBNYDEL-HIFRSBDPSA-N	249.398	4.537	0	10	BJAE	
CCCC(C)(C)CNC1CC2(C1)CC1(CCC1)C2	2083641973	PGNOFNSDTOSRFT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213285595	RSASOPHUKDGRKX-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@]1(C)CC=C(C)CC1	2215811498	CEJHWRJZEQFJMI-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@]1(O)CCCCCCCC1CC1	2216865176	WFMZSWGCVUXVMD-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC1(CNCCCCCCCC2CC2)CC1	2216883445	KTYVKTVCIQUPPN-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H]1CC[C@@H]1NCCCCCCCC1CC1	2216899227	UDLXSZHQZKPHAY-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C1(CN[C@@H](C)CC)CC(C)(C)C1	2217158198	ZCPDHAXZGSEUPN-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@H]2CC[C@@H]21	2217283084	ODLQXNVJSAYXCU-OSAQELSMSA-N	249.785	4.503	0	10	BJAE	
C[C@H]1CC[C@](CCCCC2CC2)(CNC2CC2)C1	2220044647	JLVDIWYGDKNJRC-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCCCc1ccc(NC[C@H]2CC[C@H]2C)cc1	2220549163	IDLACUQLNFDIBF-GDBMZVCRSA-N	245.410	4.877	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)CC1(C)CC2(CCC2)C1	2221018395	ZVNHQMALBMVNDN-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCCCC1(CNC2CCC2)CC2(C1)CC2(C)C	2223557215	KERLRPLFKRAFFL-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1(CNC2CCC2)CC2(CCC2)C1	2223568384	GGMPBJNIBMJDIP-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCC(CCC)[C@H](N)c1cccc2ccoc12	2224167034	XDHKHDUGTCQBGT-HNNXBMFYSA-N	245.366	4.649	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H](CC)CCC	2244774074	FGHQYAIUFJCSQJ-UONOGXRCSA-N	226.404	4.988	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@H](O)C(C)C	2244846830	HZETYYBZSGIDBQ-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNC1CCCCCCC1	2247124606	SRLLYGJGIKVYCT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1NC(C(C)(C)C)C(C)(C)C	2247754141	CAKBDHODAPLSGH-STQMWFEESA-N	239.447	4.616	0	10	BJAE	
O[C@@H](CC1=CCCCC1)c1csc(C2CC2)c1	2248063293	JZBWOSWIXKVWNH-AWEZNQCLSA-N	248.391	4.549	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)CCCCC[C@@H]1C[C@H]1C	2248819300	IYTOYOXVCIYHFG-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@](C)(O)OCCCCCC(C)C	2248827949	NTTXGFFAQKRRTQ-HNNXBMFYSA-N	244.419	4.508	0	10	BJAE	
CCC[C@H](CC)C(=O)CC[C@H]1CCCC12CC2	2250366968	NQOMSRQAPHXSSX-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCCC[C@@H]1N	2250518348	IFJWGJJLAGCETG-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CC)CC1CC(CC(C)(C)C)C1	2251501003	HIMGQUUZJOOTKT-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@]1(O)CC(C)(C)CCC1(C)C	2251676838	DANCNYSUNXJRLU-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCC=CCCC2)C1=O	2251716082	CZAZFJOCRRKJRO-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CN[C@H](C[C@@H]1CCCCC12CC2)C1CCCCC1	2253791026	GXVYQIHAUWTVIG-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CC2CC3(CCCC3)C2)C1	2254110178	WENMADAWMCRNJL-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@H]1CCCC2(CC2)C1	2254583368	JTWYKFMILSFVHP-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@]1(C)CC=CCC1	2255142058	RUEYXVHEIILAAK-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2C[C@H]3CCC[C@@H]32)c1	2257883860	BRMUIKVFUPXVHV-UHOFOFEASA-N	243.394	4.585	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccc(C2(C)CC2)cc1	2259477164	GUOZPNQQKYVTMA-BBRMVZONSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@]12CCCC[C@@H]1CC2	2260523809	GWGZZKBVVNSBQL-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@]12CCCC[C@H]1CC2	2260540438	NZDCOPVPLZWEFH-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)C[C@]12CCCC[C@H]1CC2	2260646550	MKCQHLSVZYAVBK-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H](O)c2cccc(C3CCCC3)c2)CC1	2260717508	XNENYQDZDIVOEO-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](Nc2ccc(F)cc2)C1	2261393896	ABMPTDRKENWMJO-CQSZACIVSA-N	249.373	4.843	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CCC1CC(C)C1	2261491727	SLJFOPZCMYLQHQ-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCCC(F)F	2300454941	AGEZOXHRGRFMNH-UHFFFAOYSA-N	241.325	4.576	0	10	BJAE	
CCC(CC)CCC[C@H](N)c1ccccc1C	2300673148	DNEJCFXTXXOMCS-INIZCTEOSA-N	233.399	4.601	0	10	BJAE	
CCN[C@H]1C[C@H](CC=C(C)CC)CC(C)(C)C1	2300897461	SPSVIILURBBNHW-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@H](C[C@@H](CC)C(C)(C)C)NC	2300904900	TVPBIQNGMOJCDF-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC=C(C)CC)[C@@H]1CC	2300927552	WLLSEPTVKTZWPY-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CN[C@@H](C)CC)CC1CCCCCC1	2301239344	OWJZNPOJKQVACJ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@H](N)CCC[C@@H]1C[C@@H]1C	2302608893	NDIXVWFEXCCQFM-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@@H]1CCC(C)=C(C)C1	2303522150	KRUYOOFYQFPFMH-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CC1=C(C)C[C@](CN)(C[C@@H](C)CC(C)C)CC1	2303574875	DLIBRSMDCXGKLE-XJKSGUPXSA-N	237.431	4.524	0	10	BJAE	
CCNC[C@](C)(CC)CC[C@H]1CCC(C)(C)C1	2304428021	IYLRNQJMIDVBAO-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(CC[C@H]2CCC(C)(C)C2)C1	2304436146	REGMNUKFIRQCDO-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC1(CNC)CCCCCC1	2307763380	LMMMVNWTCMQUSS-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CC[C@H](CC)CC1	2307898437	KCPKTKLMXXZHRK-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)CCC1CCCCC1	2307903917	QOUPGVHTSINXRM-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@H]1C)C1(C)CC=CC1	2308749948	PEFFMUKAEJNNAN-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309168106	PKZFEDBZXWXNPG-NNXHMXCWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1C[C@@H]1C[C@H]1C1CCCCC1	2311948189	IZLYNSYZXZXLJA-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
N[C@@H]1CCCCCCC[C@H]1C[C@H]1C[C@@H]2CC[C@H]1C2	2312879784	KBQHQFXJPIVWID-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC=C(C)CCCC(C)C)c1ccoc1	2316579324	NOZIHQDKMDBXNZ-MRXNPFEDSA-N	249.398	4.703	0	10	BJAE	
NC1(CCCC2=CCCCC2)CC2(CCCC2)C1	2318549798	ABYYNDIZMBJCLH-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
Cc1cccc(C)c1OCCCC1=CCCCC1	2318586530	KQRILDIAKWVZKW-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
Cc1ccccc1[C@H](N)CC[C@H]1CCC(C)(C)C1	2319119783	XMQVYLGEDQJYNN-GOEBONIOSA-N	245.410	4.601	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2CCCCC23CC3)C1	2319123854	MXNRMONUHQJBKI-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](CC2(CNC3CCC3)CCC2)C1	2319291202	PDBVXCJNDVHKOX-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CC[C@]12CCC[C@H]1C2	2320217735	PDYSCASDKWJAJP-CFAJVAMVSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CC[C@H](C(C)C)C2)CC1	2320237075	GKJLUQOXHDVXAY-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@](CCC(C)C)(CNC2CC2)CC1	2320267532	GBYDQIVJKALWIS-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@@H]2C[C@H]2CC(C)C)CC1	2320393359	DYXGCSIGYGMZJV-QBPKDAKJSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](NC)c1cccc(C(C)C)c1	2320517279	WWYJZSPZGHJTPW-ZQIUZPCESA-N	247.426	4.753	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@H](C)CC2CCC2)c1	2320525657	PRDPMCUUAFNPHB-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CC(C)(N[C@H](CC1CC1)C1CC1)C1CCCCC1	2320616152	GICQGRRWFJUNFN-MRXNPFEDSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc2c(c1F)NC[C@@H](C(C)(C)C)C2	2327672601	GMJYVFZDJQWDPM-LBPRGKRZSA-N	249.373	4.579	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)CCC2CCC2)c1	2327677972	OZXXIPYXYJOADK-QGZVFWFLSA-N	246.394	4.732	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cc(C)ccc1C(C)C	2327701615	OTSTYVYOINXLPI-WMLDXEAASA-N	248.410	4.978	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccc(F)c(N)c2)c1	2327785219	XOTUMXMQIBYFGN-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CC(C)c1cccc(N[C@H]2C[C@@H]3CC[C@@H]3C2)c1F	2327804236	NEGHJGRUJSKKIS-CLLJXQQHSA-N	247.357	4.550	0	10	BJAE	
CC(C)[C@H](C)N[C@@H](C)c1ccc2ccccc2c1	20523220	IHFRFVBPNGCYIO-KBPBESRZSA-N	241.378	4.535	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccc2c(c1)CCC2	70977571	WSUHSIWVBHYCHH-SUMWQHHRSA-N	243.394	4.556	0	10	BJAE	
C[C@@H]1CC(Nc2ccccc2Cl)C[C@H](C)C1	82829417	DGWWHWKJXIIXPF-FOSCPWQOSA-N	237.774	4.577	0	10	BJAE	
CCC(CC)(CC)n1c(C(C)C)c[nH]c1=S	83388226	JPRNXFXHIUZIIK-UHFFFAOYSA-N	240.416	4.594	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@@H](C)C[C@@H]2C)cc1C	85084998	JGHVZEBTJQPLDT-WPGHFRTFSA-N	231.383	4.540	0	10	BJAE	
CCCC1(CCC)CC(N)(c2ccc(C)cc2)C1	86541631	BKYYWIVOKJZZEX-UHFFFAOYSA-N	245.410	4.529	0	10	BJAE	
CC1(C)CCC[C@H](Nc2ccccc2F)CC1	86893889	KHHYOUBNNQJZFB-LBPRGKRZSA-N	235.346	4.597	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1csc2ccccc12	87179394	OGXNELXJLRCHPK-SMDDNHRTSA-N	248.391	4.761	0	10	BJAE	
CC(C)(C)CCC(=O)C1CCCCCCC1	87690004	PNXIYBPWPVPGFV-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC[C@@H](C)C1	87990725	HBIFLPSZZPAULP-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
Cc1cc([C@@H](C)NCC2CCCCCC2)c(C)o1	89560092	CTCWCSYALITIKC-CYBMUJFWSA-N	249.398	4.517	0	10	BJAE	
CCCC1CCC(NC(CCC)CCC)CC1	103974755	XQJVWVKILAWDMC-UHFFFAOYSA-N	239.447	4.904	0	10	BJAE	
CNc1cc(C(C)C)nc2c(C(C)C)cccc12	110114014	QEHUTNRPIBREIW-UHFFFAOYSA-N	242.366	4.523	0	10	BJAE	
CC(C)C[C@@H](N[C@@H](C)C(C)(C)C)c1ccccc1	122558893	JJEVYIJODMJBLN-GOEBONIOSA-N	247.426	4.798	0	10	BJAE	
CC[C@H]1CCCC/C1=C1\CCc2cc(N)ccc21	124758713	MWTGITXAGYYHNL-JTFSYWPOSA-N	241.378	4.569	0	10	BJAE	
Cc1cccc2c3c([nH]c12)CC(C)(C)CC3(C)C	125062140	IMQMQWATMFKACV-UHFFFAOYSA-N	241.378	4.726	0	10	BJAE	
CCc1ccc([C@@H](CC(C)(C)C)NC)cc1CC	127977737	NEOQJUWKUAPAIX-MRXNPFEDSA-N	247.426	4.508	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C(C)(C)CC	161084383	KYJNSNBFAFAXIV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@](C)(CCC(C)(C)C)CNC(C)(C)C	164421995	UOALZYNFDGQJBT-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
Cc1c(Cl)cccc1[C@@H](O)CCC(C)(C)C	220552569	LXJVBNMYMQVWGK-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)C[C@@H](C)CC[C@@H]1C	222354977	FCPDBJIULLPERS-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)[C@H](N)[C@@H](c1ccccc1)[C@@H](C)CC	233348387	YHZZSCPQQBUDFP-DIECFANBSA-N	247.426	4.580	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](NC)C2=CCCCCC2)C1	233918421	GIZYNELIDZCKTO-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1Nc1ccccc1Cl	235245988	KMZLRWGDBGNJGZ-MFKMUULPSA-N	237.774	4.577	0	10	BJAE	
C[C@@H]1C[C@@H](CCC(C)(C)C)c2ccccc2N1	235378242	IAQWWTMEBHLJNH-CHWSQXEVSA-N	231.383	4.801	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	252898189	FLKFZAOCHAIQOX-QLFBSQMISA-N	236.399	4.598	0	10	BJAE	
Clc1ccccc1N[C@@H]1/C=C/CCCCC1	301012436	OKTNXWXIMNFSCT-WNPFHQFXSA-N	235.758	4.641	0	10	BJAE	
Cc1cc(C)cc(-c2csc(C(C)(C)C)n2)c1	305962799	AMZQKUGDGXWJNR-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1csc2ccccc12	305978459	HQRAEZPEWDTOEM-XHDPSFHLSA-N	248.391	4.761	0	10	BJAE	
CC1(c2c(Cl)cccc2Cl)CCCC1	307183353	XOIUCWTXTXKKJL-UHFFFAOYSA-N	229.150	4.825	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC1CCCCC1	308038708	XSBSNGFBSSZGMT-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CCCCF)NCC	308045384	GEDCLYYQDAMMBQ-HUUCEWRRSA-N	245.426	4.567	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)c1cccc(C)c1C	308068741	ZSPSFCCKANGKSC-DOTOQJQBSA-N	247.426	4.766	0	10	BJAE	
C/C=C(/C)[C@H](CCCC)Nc1ccccc1	309049033	ZVYBDPMKGLATIN-XNISGLLXSA-N	217.356	4.624	0	10	BJAE	
CCC(C)(C)C(=O)CC1CCC(C)(C)CC1	309485266	XVWTZXLUVMTEBO-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)CC1(CC)CCC1	310113516	GHCYJONYFCFBLG-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CSC1(CNc2cccc(C(C)C)c2)CCC1	310132132	AVKQODWRVYGYKN-UHFFFAOYSA-N	249.423	4.508	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](O)CCC1CCCC1	310184297	UYUSDLQCOXVYCE-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C1CCC(CC[C@@H]2CCC[C@H]2CNC2CC2)CC1	310629994	IIVLQFPMLSUKBH-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](O)C[C@@H]2CCC[C@H](C)C2)cc1C	311081018	FXBRRMQBYYNDII-XGWLTEMNSA-N	246.394	4.553	0	10	BJAE	
C[C@H](CC(=O)c1cccc(F)c1)C1CCCCC1	311126054	AVXWQLHYOYSSFA-GFCCVEGCSA-N	248.341	4.615	0	10	BJAE	
CCNC[C@@]1(CCCC(C)(C)C)CCC[C@H]1C	317270968	BUEVREOYCFCXMS-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](CC/C=C\c1ccccc1)CCC(C)C	324354978	ZYRCTDNEWJWEET-GJBHZFNWSA-N	245.410	4.504	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC[C@H](C)C[C@@H]1C	383213328	CNWXSADBTLRUKY-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CNCCCC1CCCC1	395174437	FJNYVSCSDPBYGQ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCc1cc(C(F)F)c2sc(C)cc2c1	396230120	VPEYQPQOFXELKC-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
Cc1ccc2sc(S)c(C(F)(F)F)c2c1	396300256	JYERFUUTOCPCAK-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CSc1c(C(F)F)cc2ccsc2c1C	396408508	PLRYBJCNWPSWSZ-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC[C@H](N[C@@H](C)CCC(C)(C)C)[C@@H]1CC1(C)C	397609998	OZTAXWVMTVIPCI-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](Nc1cccc(F)c1C)[C@@H]1CC1(C)C	397619061	DDRJZBRCEJNHBZ-WFASDCNBSA-N	249.373	4.761	0	10	BJAE	
CC[C@H](N[C@@H](CC)[C@H]1CC1(C)C)c1ccccc1	397622323	LPNRFKCLMFZEFL-PMPSAXMXSA-N	245.410	4.552	0	10	BJAE	
CNCC1(CCC2CCC2)CCCCCCC1	398759735	HWYRCJUMQQYEDN-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCNC[C@]1(CC2=CCCC2)CCC[C@@H](CC)C1	401070130	JDFSWXNIKAPGRI-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CC=CCC1)CC(C)(C)C	402113328	BVKBBHKPYPIHFC-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
CCC[C@]1(C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCCN1	403854664	UNXFDZBDMQSHMD-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCCCC[C@@H]1C(C)C	691171959	WXJITFHASVHHQN-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(O)CCCC1CC1	691175663	PCBQARQTAJMSIU-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCCC[C@H]1C	691187459	PJHFBWVJPSCDHR-OWCLPIDISA-N	240.431	4.924	0	10	BJAE	
Clc1ccccc1NC[C@H]1CC2CCC1CC2	691698742	CEAQKJBLNMNJSM-WXRRBKDZSA-N	249.785	4.578	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCC12CCCC2	694467329	ADANEZKFZGLNJL-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)c1sccc1C	695096730	CTSKLPBWGHWWLR-RYUDHWBXSA-N	239.428	4.532	0	10	BJAE	
CC(C)=CCC[C@H](O)C[C@H](C)CC(C)(C)C	697561643	BTBFCPWYKGGVDI-KBPBESRZSA-N	226.404	4.556	0	10	BJAE	
N[C@@H]1[C@H]2CCCCCCCCCC[C@@H]2C12CCC2	700895373	YOTYFDFRPDZQLO-HRCADAONSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)(C)C)C(C)(C)CC	701132507	POFDOSXAJGQXMP-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)/C(C)=C\CCNC(C)(C)C	701181420	UCWSTYKPLIVFQG-QBFSEMIESA-N	225.420	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@]1(C)CC1(C)C	702187889	SRDORTGWXLFLFI-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1O[C@H]1CCCC[C@H]1C	704931543	FTKJLHUZPASIPA-HIFRSBDPSA-N	232.367	4.597	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C1CCC1)C1CC1	705286321	AQRJKMOZKFTGPD-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](N[C@H](C1CCC1)C1CC1)C1CCCCC1	705355861	QTCMSOXQTLUYMM-IAGOWNOFSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H](N[C@H]2CC23CCCCC3)CC(C)(C)C1	708788116	LOZNBLRHOPXCKD-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)C[C@H](C)CC(C)(C)C	709188916	OVBUGGKAENTDLU-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1N	711294158	NAEFHTGWISAUBH-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@@H]1C[C@@H]1C1CC1	712920773	WPEJCCZEUWRYGS-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CNC(C)(C)C)CC(C)(C)CC	713247184	ZLBPHTKTZRETDG-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
Cc1ccccc1CCC(=O)CC(C)(C)C(C)C	713371788	SFHYQDYFTRLPPX-UHFFFAOYSA-N	246.394	4.569	0	10	BJAE	
CC(C)=C(C)CCN[C@@H](C1CCCC1)C1CCC1	718587611	IOFULWXHCZGQCX-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CCC(C)=C(C)C	718637168	KHTPHSICTDSPOS-HUUCEWRRSA-N	226.404	4.556	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cc2cccc(C)c2o1	721693684	WSZFZZCYWXFLER-HNNXBMFYSA-N	246.350	4.601	0	10	BJAE	
C[C@@H](CN1CCCC(C)(C)CC1)CC(C)(C)C	1559572180	OVDCIJFTUULDEJ-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
C/C(=C\c1ccccc1)CNCCCCC(C)C	1656565964	FPCLNJHUUWNDHF-DTQAZKPQSA-N	245.410	4.506	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCCC1(C)C	1900700118	GZRGQJRJFAJQMI-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
Cc1cccc(CCCC2=CCCCC2)c1	1901962708	QGIPTAVPHMHKOZ-UHFFFAOYSA-N	214.352	4.818	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C(CC)(CC)CC	1905374960	SEOLMLODITZULK-KGLIPLIRSA-N	228.420	4.780	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)[C@@H](C)CCC	1908567392	BZDKNZMIYQCTDT-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCC=CCN[C@@H]1CCCC[C@H]1C1CCCCC1	1911836984	ZUIMIKJVLLQDTA-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2CCC3(CCCCC3)C2)C1	1915872478	TWEVRESGDNOHHN-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC1(C[C@@]2(N)CCC3(CCCC3)C2)CCCCC1	1916410052	NQSSJCMZPFBNEK-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCCCC[C@](C)(O)c1cc(C)c(C)cc1C	1919974848	RCJGICCPIJEDGC-KRWDZBQOSA-N	248.410	4.790	0	10	BJAE	
Cc1ccc([C@@](C)(N)[C@H](C)CCC(C)C)c(C)c1	1920494519	UEBLLZBHJOTDNJ-WBVHZDCISA-N	247.426	4.550	0	10	BJAE	
CC(C)(C)c1ccc(NCC[C@H]2CC2(C)C)cc1	1921564898	TYHCTGLTMASVIC-AWEZNQCLSA-N	245.410	4.832	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)C[C@H]1C=CCCCC1	1925796226	DYANWWPNXBTZOQ-ILXRZTDVSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)CCNCCC1(C)CCCCC1	1926116444	YWVZYZVXXDEEDC-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)CCNCC1(C)CCCCCC1	1926176410	NNUAMMMWMQJPBN-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CCCCCC1CC1	1936421515	UJZMJPSWEZCOQB-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
Clc1cccc(OCCCCCC2CC2)c1	1936425939	DVMVPZISFDDVSC-UHFFFAOYSA-N	238.758	4.689	0	10	BJAE	
Cc1cccc(N[C@H](C)C(C(C)C)C(C)C)c1	1940247475	BEAUAOKGROJIAI-CQSZACIVSA-N	233.399	4.724	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](O)CCCC1(C)CC1	1940870284	SBHFHWNXVRYWRC-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C(=O)C[C@@H](C)C1CCCCC1)C(C)C	1941267271	PVSNWZVHIMTSSJ-UKRRQHHQSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@H](CC)C(C)C	1941267281	PWZIIVKTUCLTHQ-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)C)CC1CCC=CCC1	1941818052	OUEHQOZMCCJRDP-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@@H](C)CCC(C)C	1942651763	ABLFYAHFMRNXPO-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C(C)(C)C1CCCCC1	1944666747	VGTXEUFONQCNFC-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CCCC(O)(CCC)c1csc2ccccc12	1945614302	OMAVXNPGEWVUAF-UHFFFAOYSA-N	248.391	4.689	0	10	BJAE	
CC(C)c1ccccc1Oc1ccc(Cl)nc1	1947811866	GGSXFKHEVZAAAP-UHFFFAOYSA-N	247.725	4.651	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1CC(C)(CC)C1	1948405884	SNTYSUUKKGDLAQ-JWMHWRSXSA-N	240.431	4.780	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H]1CC1(C)C	1948987992	GFMZMPMONFZPEM-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC1CC2(CCC2)C1	1949839524	AUOMTGOZQVNWIN-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC[C@@H](N)CC1CCCC1)CC(C)(C)C	1949871657	YITLMGZNUNNUFS-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
Clc1ccc(NC[C@@H]2CC23CCCCC3)cc1	1950640839	KPKKSEVCWBIGGA-LBPRGKRZSA-N	249.785	4.722	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CCCC2CCC2)CC1	1950925129	QOEYPSUUKOAUKD-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(CN)CCC[C@H](C)CC1	1950925406	SWEOZTFNVPZCMT-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)C1(CC)CCC1	1951243328	GIGAUDNXGWPIGG-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC)NCC=Cc1ccccc1	1951318333	QLWFXIZHQCLRQB-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
C[C@@H](CN1CCCc2ccccc21)CC(C)(C)C	1968233622	RLRUXOIISRWDDY-CQSZACIVSA-N	245.410	4.512	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H]2CC[C@H]1C2)C1CCCC1	1970932930	NIKCBSNEDVVGFX-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@H]1CCCC2(CC2)C1	1972153109	AZLVBUMGHIIWMI-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC(=O)CC1(C(C)C)CCC1	1989452340	WWDRGPIVCHLCMH-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H](C)C(C)(C)C	1990094442	VZNKGKQQLOBJPN-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCCN(CC=CCl)C1CCCCCC1	1991731020	KZSZDPMURPTFQJ-UHFFFAOYSA-N	243.822	4.564	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CC(C)(C)C)NC	1995263025	QEALIMIOHCHOHH-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)C2CCC(C)(C)CC2)C1	1996231785	MILOATGCZUFCKU-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H](C)C(C)(C)C)CC1	1997100973	UTNPTTXGNGHGNO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CCCC2CCC2)C1	2000189915	FMWMVJHUXQHNHI-SWLSCSKDSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCCC(=O)CC1C[C@H](C)C[C@@H](C)C1	2000196107	CNFYEMZTKPMIGB-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@H]1CCC1(C)C	2000378796	IMUAFYJCDCTDJO-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)C[C@H]1C[C@H]1C	2000520480	LGQUAXDYRDHRTL-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H]1CCCCC1(C)C	2000770751	JJKCCMHOGSAAAH-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNCC)CCCC(C)(C)C1	2002991018	OIHBWTOOHCHVES-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC1(C)C[C@H]1CCC1(N)CCCCCCCC1	2003102545	YEQAAXBBZXYWPL-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc([C@H](O)CCCCC(C)(C)C)cc1	2003624439	GQLADMQBFBHMRR-OAHLLOKOSA-N	234.383	4.635	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)[C@H]1CCC[C@H]1C	2006779473	YJRVGRLXXUETLY-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](O)(C=C1CCCCC1)C1CCCC1	2007919134	CARRFEXHSRFSSO-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](C=C1CCCCC1)NC	2007940844	VZZFZYXGQFEGFB-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)CC1([C@H](O)CCC2(C)CC2)CCCC1	2009533107	AOXKHWMBJXYEMM-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@H](C)C(C)(C)C	2009545161	XCMSPJDRXSNAEQ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CCCC(F)(F)CC1	2009574821	FPNQPMYAWLDGRI-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
CCCc1ccccc1NC1CC(CCC)C1	2009715991	MEIGITOOQSXDIK-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)C(C)(CC)CC)CC1	2010713551	DYHBXOSQEYIGST-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010715608	UJYHWAXRBVVHMG-HUUCEWRRSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(O)CCC(C)(C)C)CC1	2010727204	VLGBEVZNHADDQT-CZUORRHYSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C1=CCC(C)(C)CC1	2010745068	WWGDFIPWHIJJBD-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C1CCC(C)(C)CC1	2011569980	MCJHGBLVQQICAH-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H]1C[C@H](O)CC2(CCC2)C1	2012059723	WPCXMGNPRXDKRM-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1cc(C)c(C)o1	2015326656	OJEZWAJPGNVTNT-CYBMUJFWSA-N	236.355	4.686	0	10	BJAE	
CC(C)CNC[C@](C)(C[C@@H](C)C(C)C)C(C)C	2015403032	XISDWBVHWNJKSV-CVEARBPZSA-N	241.463	4.577	0	10	BJAE	
CCCC(CCC)CNC1(CC2CC2)CCC1	2015736180	SSWXGAXNKCYNAG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC=C(C)[C@H](NCCC)C1(C(C)(C)C)CCC1	2017136624	LWEQUABSLHBIQL-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CNC[C@]1(CC(C)=C(C)C)CCCC(C)(C)C1	2017463540	KSDMJZNDHLMDPO-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)c1csc2ccccc12	2017698552	ADHVVRJLDXAAGX-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCCC1CCC(CCC[C@@H](O)CCC)CC1	2017714555	HCOCWXGOCKOQQW-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@@H](CC)CC(F)F	2018183809	ZRQZHBBPEAVOMD-QWHCGFSZSA-N	249.389	4.568	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCCC(C)(C)C2)CC1	2018926285	ZBTYSIZPKFUAJM-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](O)[C@@H]2CCCC(C)(C)C2)CC1	2018970195	NHENYCMZCWYPAA-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@](C)(CC)CNCC(C)C)CC1	2018985867	UEVBVHNFAWVHAI-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(N(CC)C2CCCCC2)CC1	2019162276	BSQDOLLHMBJBJB-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CC[C@H]1CC[C@@H](C)N(CCCCCC(C)C)C1	2019341489	AYWNAAOPYVKPAC-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H](Nc1ccccc1C1CCC1)C(C)C	2021026675	AXMCOZBZEXDRJO-OAHLLOKOSA-N	231.383	4.801	0	10	BJAE	
CCN[C@H](CCCCC(C)(F)F)C[C@@H](C)CC	2023298198	XRWIPKVEXNTEOA-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CC(C)(C)CCC2=O)C1	2024126864	YXELFJUVUUZUPX-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC(C)(C)CC[C@@H]1O	2024150564	XOKAYZOPORCORL-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C(=O)c1ccc(CC(C)C)cc1)C(C)C	2028253431	WQJLRJLCIBJNPQ-INIZCTEOSA-N	246.394	4.750	0	10	BJAE	
c1ccc2c(c1)CC[C@@H](CCCCCC1CC1)N2	2028631526	PLFOITLSDILIBC-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CC1(CCN[C@@H]2CC[C@@H]3CCC[C@H]32)CCCCC1	2033212837	QBHUMVOOWDAPJE-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@H]2CCCC[C@H]21)C1CCCCC1	2034260040	CSWROQVQSZSEBF-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
CC=C[C@H](C)N[C@@H](CCCC)c1ccc(F)cc1	2034977247	ILMKZNPAAZAJSJ-BBRMVZONSA-N	249.373	4.611	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2[nH]c([C@@H]3CCC(C)(C)C3)nc21	2037999722	ITTSRDOHXYHBOU-IJLUTSLNSA-N	246.398	4.704	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C2=CCCCCCC2)CC1	2039373947	JQQHHPJXQUZRFR-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@H](N)CCC1CCCCC1	2039436498	PXRQNSQTWJMYQO-OIISXLGYSA-N	249.442	4.667	0	10	BJAE	
CCc1cccc(N[C@@H](C)C23CCC(CC2)C3)c1	2039859760	ORVJPHNAWSVZHG-KTAKPFMOSA-N	243.394	4.630	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@H]2CC[C@@H](C)C2)cc1	2040138629	PPWAPLQIDQVCQN-ZIAGYGMSSA-N	244.378	4.819	0	10	BJAE	
CC[C@](N)(C[C@H]1C=CCC1)C1CCC(C)(C)CC1	2040650280	IAPNJKGQJNNJIQ-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C2=CCCCCC2)CC1	2041374796	DFEUONQALYVWNG-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@@]1(C)N[C@H]1CCC12CCCCC2	2041737032	RGCGZPXAZAZEOE-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCC[C@H](C)NC1C[C@@H]2CC=CC[C@H]2C1	2042344856	LEXZMNXTDFIWKG-JYJNAYRXSA-N	249.442	4.536	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H](C)C1)[C@H]1C=CCCC1	2043185992	AYPIHBDVJBBKSN-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@@H](C)CC1=CCCCC1	2043683762	QUJQNTWLQOUNRH-BHYGNILZSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)[C@H]2CCCC3(CCC3)C2)C1	2045519855	LCJGSIYKJKVNCR-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@@H]1CC12CCCC2	2047021735	YSVHKYIFLAQLCD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CC12CCCCC2)C1CCC1	2047054331	CQAVINJJAUZEBY-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C(=O)[C@@H]2C[C@H]3CCCCCC[C@H]32)C1	2047423894	FTUSBTQZNOQKEE-BPLDGKMQSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@]1(C2CCCCC2)CCC12CCC2	2047935926	MRYOSXHOQFJSES-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(CNC2CC2)(CC2(C)CC2)CC1	2048882719	NNFQLNCNJZFGRM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC1CC2(CCC2)C1	2049642621	XXDDDCXLYPQUGN-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N(C)C1CCC2(CCC2)CC1	2051646624	UKQUWLKWFUUIDJ-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
C1CCCC(N2CCCC[C@@H]2C2CCCC2)CC1	2051678267	PFKOSMVDGKEEQV-QGZVFWFLSA-N	249.442	4.754	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@]2(CN)CCCCC23CC3)C1	2053418310	MBWZFUKDZFZYNI-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](CCC1CC1)[C@@H]1CCCCC12CCC2	2053421459	UWHBUKHDSDLENF-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H]1N1CCCC2(CCCCC2)CC1	2055267602	ADKZQZHDSPAYPL-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@H]2CCC[C@@H]2C(C)C)c1	2056447566	CMNJZVGWHSOLJV-CVEARBPZSA-N	244.378	4.558	0	10	BJAE	
CCC1([C@@H](N)CC2CC(C3CCC3)C2)CCCC1	2056654420	ZKNZAMYBXYQOOG-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](NCC)c1ccc(CC)cc1	2059224745	FJNLWETWLWHNNE-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CCN[C@@H](CC1=CC[C@H](C)CC1)CC1CCCC1	2060929116	JWBHYSZPRUHRQB-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@](N)(CC[C@@]23CCC[C@H]2C3)CC1	2061614252	DCZZUFJYIFUPAQ-USXIJHARSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C[C@@]12CCC[C@@H]1C2	2061615953	HXISEHWCTSFKHY-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
NC1(CC2CC(=C3CC3)C2)CCCCCCCC1	2061664032	DUNHOQJDOHMMMK-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
C[C@H]1C[C@H](CCC2CC(=C3CCC3)C2)C[C@@H](C)O1	2061723415	REMIDDAKUJVLHS-BTTYYORXSA-N	248.410	4.861	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NCCC12CCC(CC1)CC2	2065257928	GLABIPLUINGKCF-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2068704991	SHIZQZOJMCJMEA-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC(C)Cc1ccc([C@H](N)C[C@H](C)C(C)C)cc1	2069004021	PZFHLSPPWYYLMI-WMLDXEAASA-N	247.426	4.567	0	10	BJAE	
CC(C)Cc1ccc([C@@H](N)C[C@H](C)C(C)C)cc1	2069004023	PZFHLSPPWYYLMI-YOEHRIQHSA-N	247.426	4.567	0	10	BJAE	
CCCC1(CN(C)c2cc(C)cc(C)c2)CCC1	2069268735	WQJNBRTZSXSCDJ-UHFFFAOYSA-N	245.410	4.710	0	10	BJAE	
CCCC1([C@H](NCC)c2cc(C)c(C)o2)CCC1	2069336739	CYMHMEKXDXVKNG-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CCCN[C@@H](C1CCCC1)C1(CC2CCC2)CC1	2069564570	USDLUNYDMSIVBD-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1CC[C@@H]2C[C@H]2CC1	2070397991	JVYJTVIDMSPRAI-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)c2cccc(F)c2)CC1	2072703165	WJCXWVXXNGWWND-JOCQHMNTSA-N	248.341	4.615	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@H]2CC=CCC2)CC1	2072793699	MPRYVJHUQOOOJN-SJJHQCBESA-N	249.442	4.667	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)C1CCC(C)(C)CC1	2074795011	QKQTWWVOVQMADM-AWEZNQCLSA-N	245.410	4.648	0	10	BJAE	
C[C@H](N(C)CCC1=CCCCC1)C1(C)CCCC1	2075145729	KUCHVKPCHLVYIG-HNNXBMFYSA-N	249.442	4.778	0	10	BJAE	
CC(C)CCCCCN1CC[C@@H]1c1ccccc1	2075154074	NEHDTBSAZBXONS-QGZVFWFLSA-N	245.410	4.650	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1CC(=C2CCC2)C1	2077197220	YEUSLALPAFODJD-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CCCNCC(=C[C@@H]1C[C@H]1CC)C1CCCCC1	2079265985	XENWJKUNHZQJLD-ZBFHGGJFSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2079488775	VTTSQBSZIJWFSY-HZPDHXFCSA-N	248.410	4.908	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@H]2C2CCCCC2)CCCC1	2079631754	CVVJFVNUHVQSDY-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@@H]1C[C@@H]1C(C)(C)C	2079864931	NKWQCXYGVHYNHV-KBPBESRZSA-N	244.378	4.558	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@]1(N)CCCCC12CCCC2	2079870871	ONRLMRYWTPNMTI-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
FC1(CCNc2ccc(C3CCC3)cc2)CCC1	2084766752	IQIFXQURXIGJJL-UHFFFAOYSA-N	247.357	4.648	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC1CC(=C2CC2)C1	2086055802	CUQUQHZWEQNCFF-DYVFJYSZSA-N	249.442	4.811	0	10	BJAE	
CC1([C@@H](N)CCCCCCC2CC2)CCCC1	2213577003	WYOPFIQNVBWRKV-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCc1ccc(NCc2scc(C)c2C)cc1	2213638655	WNCQSTHWURVMCG-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CNCC1(CCCCC2CC2)CCCCCC1	2214574102	RUDZBEFMXXVRNI-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C[C@H](N)C1CCCCC1	2214777681	PRMRLBPKHMMBIO-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](O)CCC1CCCCC1	2215251862	OMRYXLLKKHVPLN-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@]1(C)CC=C(C)CC1	2215819851	ZIFQEVATSIMMLF-FVQBIDKESA-N	237.431	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2CCC[C@H]2C)CC1	2215824547	UKCKSGSHDQAMQK-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
CCC1(N(C)CCCCCCCC2CC2)CC1	2216861445	VIIUEHYDNXUFGS-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCCC[C@@]1(CNC2CCC2)CCC1(C)C	2217159174	KXUSNIVDHQSDMN-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CCC12CCC2	2217242658	WZCPUTPHSXQPDL-AWEZNQCLSA-N	249.785	4.647	0	10	BJAE	
Cc1ccc(OC[C@@H]2C[C@H]3CCC[C@H](C3)C2)cc1	2218328440	TVSUDQIPPMZLJS-ZSHCYNCHSA-N	244.378	4.590	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1C[C@H]2CCC[C@H](C2)C1	2218330337	HPSUEYDIQMMTKB-JJTUDDRGSA-N	249.442	4.514	0	10	BJAE	
C(CCCC1CC2(CCNCC2)C1)CCC1CC1	2218718928	SVELCNFCBDXGGJ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)[C@@]1(C)CC=C(C)CC1	2221633274	UEPMGFDOBMNGJS-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@](O)(CCC(C)C)c1c(C)cc(C)cc1C	2222006122	ZXPJGQGTXCMEOE-KRWDZBQOSA-N	248.410	4.646	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	2222932386	DYMWEDDEWZLLAS-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@H](C)C1(CNC2CCC2)CC=CC1	2223588941	KOHCXLDXWLBKIW-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](C)[C@H](O)C[C@@H](C)CC(C)C)cc1	2223969129	UPLURTSQMAQZNL-YQQAZPJKSA-N	248.410	4.532	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1cccc2ccoc12	2224164548	QGMUCYLLTNBCLE-GFCCVEGCSA-N	244.334	4.688	0	10	BJAE	
CCCCc1ccc([C@@H](N)[C@H](C)CCC)s1	2242599646	ZRYMNYNEJUHSEG-RISCZKNCSA-N	239.428	4.527	0	10	BJAE	
CC[C@H](C(F)F)n1ccc2cccc(Cl)c21	2246147362	UJTJOWXRYABVGR-SNVBAGLBSA-N	243.684	4.511	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C[C@H]1CCCCC12CC2	2246614944	PNQKVDZCAQGAOG-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@H]1CCCCC12CC2	2246614962	PSVVKTSQMPXHPT-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(CNC[C@H](C)C(C)(C)C)C(C)C	2248382431	HSJHIROANIMALF-AWEZNQCLSA-N	241.463	4.577	0	10	BJAE	
CCC1(C)CC(O)(CCCCC[C@H]2C[C@H]2C)C1	2248864837	FIDJHSJWPJSVJY-QVOMUQBLSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCN[C@H](C)C1	2250478058	DXEDRKDXSPOROG-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC[C@@H](C)CCCC(C)C)C(=O)O	2250495696	KXKMJAAZEBZEIF-KBPBESRZSA-N	242.403	4.730	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@]12CCCC[C@@H]1CC2	2251163772	SEZCYNZEVPGJGY-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCN[C@H]1CC(C)(C)CCC1(C)C	2251668413	ZLINTLRTWWGWNY-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)CCC1CC(C)C1	2251753790	UNZGQMVCZGFQIY-BCLQGDPASA-N	237.431	4.537	0	10	BJAE	
CC1CC([C@](C)(N)CC[C@@H]2CCCCC23CC3)C1	2253854257	MMONFYGJEFOFRS-BHDPWAOGSA-N	249.442	4.501	0	10	BJAE	
C(CNCC[C@H]1CCCCC12CC2)CC1CCC1	2253892403	VXUHYAARQPCOJB-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC[C@@H](C)C(=O)c1ccccc1	2254508384	MCOMYTFIYJAMAC-YCPHGPKFSA-N	244.378	4.722	0	10	BJAE	
CC1(C)CC[C@H]1CNc1cccc2ccccc12	2254953409	BMWLVWCBNJQPAL-AWEZNQCLSA-N	239.362	4.688	0	10	BJAE	
CC1(C)CC[C@H](Oc2cccc3c2CCCC3)C1	2257477309	DABLIQMVCWISRR-AWEZNQCLSA-N	244.378	4.523	0	10	BJAE	
C[C@H](Nc1cccc(C(C)(C)C)c1)[C@H]1CC1(C)C	2257961368	MALADCOQVLKDAJ-SWLSCSKDSA-N	245.410	4.831	0	10	BJAE	
C[C@]1(C(=O)C[C@@]23CCCC[C@H]2CC3)CC=CCC1	2260568655	LCYRPJQJZDEMLN-XIRDDKMYSA-N	246.394	4.662	0	10	BJAE	
CCCC(C)(C)CNc1ccnc(C(C)(C)C)c1	2260742545	MVBLZMCDYGTNNS-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](Nc2ccccc2F)C1	2261386643	QJTIFQXREMUWRY-CQSZACIVSA-N	249.373	4.843	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCCCCC1(C)C	2298882464	YZMMQSIMFTZLHV-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CC(C)c1ccc(O[C@@H](C)CC2CCC2)cc1	2298907764	JTBMFPWLMCJWIC-ZDUSSCGKSA-N	232.367	4.768	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@@H]1CCC2(CC2)C1	2300496888	PBCUJBPBENWMRB-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c2c(C)c(C(F)F)[nH]c12	2300670582	XQOAFMMNSUTPBP-UHFFFAOYSA-N	237.293	4.846	0	10	BJAE	
CCC(CC)CCN1CCC12CCCCCC2	2300687008	XERYGQZXYGWAAE-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC(CC)CC[C@H]1C[C@@H](NC)CC(C)(C)C1	2300688231	LHZRCZXHLOCPIU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C(C)(C)CCF	2300691121	PVDASCZLSQSKAN-CQSZACIVSA-N	245.426	4.567	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CCC[C@H](CC(C)C)C1	2300882469	VNTCFHOLWNMPDZ-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CC=C(C)CC)NC	2300904722	RPAPYAACLXHVRL-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CC(=CC[C@@H]1C[C@@H](C)C[C@H]1N)CCCC(C)C	2300905241	WYAVFXKIDHFUQO-BZUAXINKSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CC[C@H](CC2CCCCCC2)CC1=O	2301139426	GJPKHRLUMIIMAN-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CC1CCCCCC1	2301146535	ZTVGDEILUHIWTC-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)[C@H](C)[C@H](C)C(C)C	2301845202	WKPLSZFPBCNUQL-KLHDSHLOSA-N	242.447	4.594	0	10	BJAE	
CC(C)C(CC[C@@](C)(N)[C@H](C)C(C)C)C(C)C	2301934591	FXPNBPSSPZIKAW-GDBMZVCRSA-N	241.463	4.704	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](O)CC1CCCCCC1	2301963618	CWGSZHDOOXCYDI-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@H](CCC2(CO)CCCCC2)C1	2302683285	RFWDAMGONJMFFS-CQSZACIVSA-N	238.415	4.536	0	10	BJAE	
CCC[C@@H](CNC(C)C)C[C@@H]1CCC(C)(C)C1	2302710946	UWQPSKIDNXQWJI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)C[C@H]1CCC(C)(C)C1	2302720209	FIMRTGLCNONBNG-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCCCN(C[C@H]1CCC(C)(C)C1)[C@H](C)CC	2302875053	DDNPWAWUOVFEFH-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@H]1CCC(C)(C)C1	2302883013	QIKDOWPNYSKNMN-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CN[C@@H](CCC[C@@H]1CCC(C)=C(C)C1)C(C)C	2303574569	AHUOUHBUGQMAJJ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H](C)C(C)(C)C)CC1	2303591572	BHHXWZFWHPKNPJ-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H](C)CC(C)(C)C)CC1	2303597783	UQPMEZCYWDASDX-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CCC[C@@H](O)C2CCCC2)C1	2304447921	SOAJEKWGAXKWKB-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CN(C)c1ccc(C)cc1C	2307761666	VCFKKKHXRWJHAU-HNNXBMFYSA-N	233.399	4.566	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CC(C)(C)CC[C@H]1C	2307836392	YRPRLWQOGOTDHJ-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)C1(C(C)C)CC1	2307891356	BYHNLQFYPLLEED-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1c(C)cccc1C	2307900066	FCLPUKUUZKSNMD-GJZGRUSLSA-N	233.399	4.520	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@H]1C[C@@H]1C1CCCCC1	2311526188	WMMKUHWLVXENIH-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@H]1C1CCCC1)C1CCCCC1	2311539246	YFOIPOZMPCXZJD-GVDBMIGSSA-N	249.442	4.514	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2312523412	GFPDASWPJIVLHM-PNBKFKSVSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC(CC1CC1)CC1CC1	2313584840	SIDXTFNIWYSLBI-WBVHZDCISA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@](C)(N)c1ccc(C)c(CC)c1	2314711238	KAWYCZSMUBPRSX-KRWDZBQOSA-N	247.426	4.702	0	10	BJAE	
CC(=CCN1CCC12CCCC2)CCCC(C)C	2316516584	IQCLTQNSXVKXJR-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
C=C=CC[C@H](CC=C(C)CCCC(C)C)NCC	2316579614	PYNSZZRRMSVEBR-QGZVFWFLSA-N	249.442	4.858	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)CC1(C)CC(C)C1	2317905028	UJUMDOAGLFIGNR-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1C[C@@H]2CCC[C@@H]21	2317919383	DRCWTZCGFCAWMZ-TUKIKUTGSA-N	247.357	4.550	0	10	BJAE	
CCC1(CNc2cc(F)ccc2C(C)C)CCC1	2317924436	DKLXGMYNGPTZHK-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N1CCCCc2ccccc21	2318002337	WVGFPOBNUVWADX-GJZGRUSLSA-N	245.410	4.510	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1[C@H](N)CCCC1=CCCCC1	2318577159	VPJYNBXFWGQFDK-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CN(CCCC1=CCCCC1)CC1CCCCC1	2318581625	YTFZFEBKCNBWAD-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CC1(C)C[C@@H]1CCCNCCCC1=CCCCC1	2318587153	QPNCLOWYRKAEDB-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)[C@H]2CC23CCCCC3)C1	2319121059	JMJYDVSGUQOJQX-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC2(N)CC3(CCCCC3)C2)C1	2319309477	VBSWCAFGNRIICI-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
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CN[C@@H](C[C@H]1CCC(C)=C(C)C1)C1(C)CCCC1	2320387369	GMZBAOCJGLWILH-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
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CC(C)(C)CC(C)(C)NC1CCCCCC1	35257345	DVSMTZGXDQJSPR-UHFFFAOYSA-N	225.420	4.514	0	10	BJAE	
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CCc1ccccc1NC1CCC(C)(C)CC1	75168179	JUHSKAWEECYJIZ-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@@]1(N)CCC[C@@H](C(C)(C)C)CC1	83438579	WSWQOFFHXOUSAE-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCc1ccccc1-c1c(C)cccc1Cl	85389085	SRTCCDRLOMTSLW-UHFFFAOYSA-N	230.738	4.878	0	10	BJAE	
CCC[C@H]1CCC[C@H](Nc2ccccc2F)CC1	86922639	SNSRVKMROGZKMN-KBPBESRZSA-N	249.373	4.987	0	10	BJAE	
CC[C@@H](C(C)C)n1c(=S)[nH]c2ccc(C)cc21	94660055	XNDXQEFLPDFCAB-LBPRGKRZSA-N	248.395	4.614	0	10	BJAE	
Cc1cc(C)c(NC2[C@@H](C)CCC[C@H]2C)c(C)c1	103980202	MCWNHLNZGSONOX-OCZCAGDBSA-N	245.410	4.848	0	10	BJAE	
CC[C@H](CCC(C)=O)c1c(C)c(C)cc(C)c1C	107657543	JIYZSUBEHJWCFS-MRXNPFEDSA-N	246.394	4.783	0	10	BJAE	
CCCC(CCC)N[C@@H](CC)C1CCCCC1	109953421	NUYFQRHMSVVDKW-INIZCTEOSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CCC)CNC1CC1	110184728	CZMDPAUMBNUSSI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CNCCC)C(C)C	110185390	NXAOWHPULQYSJV-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CC1(C)CC(C)(C)CC(O)(CC2CCCC2)C1	124970665	UWFVGNWMWPZPOX-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCc1csc(C2CCC(C)(C)CC2)n1	132044483	WLZCWSWBPRMSSL-UHFFFAOYSA-N	237.412	4.779	0	10	BJAE	
CC(C)c1cnc(CSc2ccccc2)s1	132146185	NQRZZQJIEISPLO-UHFFFAOYSA-N	249.404	4.559	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H](CC)c1ccccc1	158286672	YUNLFKAVOJHHSY-IRXDYDNUSA-N	247.426	4.739	0	10	BJAE	
Cc1cccc([C@@H](N)CCC2CCCCC2)c1C	163463226	COJOVRGOLITLKZ-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
CC[C@@H](C)[C@H](C(=O)CCC(C)C)c1ccccc1	164733567	ZATOZYZHCYZSJZ-PBHICJAKSA-N	246.394	4.822	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2c(C)cccc2F)cc1	224948831	AHYQIJWUSBZEPE-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)CC1CCC1	229690017	PQWMOGPNWXXBRI-CYBMUJFWSA-N	231.383	4.548	0	10	BJAE	
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CCCCC[C@H](C)[C@@H]1CNc2c(F)cccc21	232977832	HMDWWZKFVLRQTJ-AAEUAGOBSA-N	235.346	4.551	0	10	BJAE	
CCCC[C@@H](CC)C[C@](O)(CC)CCC	232998732	QVQVRSWLOPPQPP-KGLIPLIRSA-N	214.393	4.534	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)C(C)(C)CC	233617179	ZFGRNQZGBNIQGA-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CSCc1cc(Cl)c(Cl)c(Cl)c1	238377033	YSAOAJNTIYETBB-UHFFFAOYSA-N	241.570	4.510	0	10	BJAE	
CCCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NC	250828100	OXECGFKRUDXGCJ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
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CC[C@@H]1CCCC[C@H]1[C@H](C)CCNC(C)(C)C	251781491	NDCNTVDVWYIWPT-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](c2ccccc2C(C)(C)O)C1	258395965	TZXBHDLRCWWNGI-ZDUSSCGKSA-N	246.394	4.598	0	10	BJAE	
CCC[C@@H](F)c1ccc(SCC)cc1	260314742	ADCWVZROAAMIGK-GFCCVEGCSA-N	212.333	4.609	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCCC(C)(C)C1	300910911	RYOJTZSQQRIJJD-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCc1cc(N[C@H]2CCC[C@H](C)C2)ccc1C	302245771	ABGIIWFMTLLARZ-WFASDCNBSA-N	231.383	4.548	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H]1CCc2cc(N)ccc21	302647419	VCQYGROLPPJYHZ-VMGRFDJRSA-N	243.394	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCC2CCCCC2)C1	305897954	SJFYUCLLNSPGME-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)c1ccc(C)cc1C	307990981	JBXLKMXAWLOXLN-DOTOQJQBSA-N	248.410	4.799	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H](CC)CC(C)C	308095877	MJFSPTQLCDKTNK-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1CCC[C@@H](C)C1	309436562	KNSWVLRQXOXPDN-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
CCN[C@H](CCC[C@H]1CCC[C@H](C)C1)C(C)C	310471878	BOGAKWPIRRSMCW-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(NC(C2CCC2)C2CCC2)cc1	310671239	IAXXZNIWNDQFIO-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)c1ccccc1C	310993655	SXJIGTLDYFXROM-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC(C)(C)CCCN[C@@H]1CCC12CCCCC2	313458543	IFPPAUDRMXPLCW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)Oc1cc(C)c(N)cc1C(C)C	318835042	CNKKITYJWAPNFW-AAEUAGOBSA-N	249.398	4.514	0	10	BJAE	
Cc1ccccc1NCC/C=C\c1ccccc1	323543339	FCNOPWUHZRLTKC-GHXNOFRVSA-N	237.346	4.510	0	10	BJAE	
Cc1ccccc1NCC/C=C/c1ccccc1	323543340	FCNOPWUHZRLTKC-KPKJPENVSA-N	237.346	4.510	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1	378904549	YJVRBTWFXMBLJT-QIJZBDPFSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](C)CC(C)C)c(Cl)c1	382606930	UOUCLVLTCQWLJU-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
CCCc1nc(-c2ccc(CC)cc2)c(C)s1	383314025	NWNYCMKHQIURSW-UHFFFAOYSA-N	245.391	4.633	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCCC[C@@H]1N	383415681	YIUIHDQZKPZSOA-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CCC1([C@H](CC2(C)CCCC2)NC)CCCC1	383684850	RPQHRNSIMNFVHZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCCC[C@H]1C	384766366	BEXGKUKYZIDMLF-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)c1csc([C@H]2CCC[C@H]2C)n1	384969149	IEWAEBBRPCLTBQ-MNOVXSKESA-N	237.412	4.734	0	10	BJAE	
FC(F)c1cccc(NCCC2CCCC2)c1	386291889	IBOAYHHNDFNFBL-UHFFFAOYSA-N	239.309	4.616	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)c1ccccc1C(C)C	388016476	OCWQJRMCRAMUMA-CJNGLKHVSA-N	244.378	4.675	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CCC[C@@H]3C[C@H]32)cc1	394143477	XRWRMUFDMCZFCB-DAXOMENPSA-N	243.394	4.585	0	10	BJAE	
Cc1cccc([C@@H](O)C2(C)CCCCCC2)c1C	394682280	YUDCYMDVGNQHCC-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CCCc1cccc([C@](O)(CCC)C(C)(C)C)c1	395263840	HMDWQFOKCMTUAT-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CCc1cc2cc(C(F)F)c(CC)cc2s1	396165655	FGHHCAVGDQPIMK-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CC[C@H]2C[C@H]2C1	403697913	SVNUQACQDFLZLX-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)c1coc2ccccc12	404312452	XLUXGDUVBTXPRY-MLGOLLRUSA-N	245.366	4.505	0	10	BJAE	
FC(F)c1ccc2cccc(C(F)(F)F)c2c1	514256353	QDYKJJADOBJRBT-UHFFFAOYSA-N	246.178	4.796	0	10	BJAE	
Cc1c(C(F)F)ccc(Cl)c1C(F)F	575676026	IPBIFBTVQKPMJB-UHFFFAOYSA-N	226.600	4.524	0	10	BJAE	
CCC1=Nc2ccccc2NC(CC)(CC)C1	675045935	PGWKHUZUEYDOEL-UHFFFAOYSA-N	230.355	4.544	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCCC2CCC2)C1	688841194	YEFQDPLZAPSIBX-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1cccc(C(C)C)c1	688900603	QHRDBKYJLIFHFX-BBRMVZONSA-N	233.399	4.507	0	10	BJAE	
CC(C)c1cccc(C(=O)C2CCCCCC2)c1	688934804	DNWDSVOCYGSUGC-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(C2CC2)cc1	690087602	IAALYHUQTILYQI-HNNXBMFYSA-N	231.383	4.945	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCC1(C2CC2)CCC1	691187932	QTJZMJFZZKYYAQ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@]12CCCC[C@@H]1C2	693209680	ACFZNFNGCHHUQE-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@H](O)[C@@]1(C)CC[C@H](C)C1(C)C	699088830	JJHLMUZAHPYOSS-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)c1ccsc1CNC(C)(C)C	703183343	SZBHXALINQZQKF-NSHDSACASA-N	239.428	4.540	0	10	BJAE	
CCCCCCC(=O)CC1(c2ccccc2)CC1	703939242	IHYPSESGMWOQIC-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
C[C@](N)(CC1CCCCC1)[C@H]1CC2CCC1CC2	704508700	PGTNUUVCCJDBSD-KMZOKZLKSA-N	249.442	4.501	0	10	BJAE	
CCCC(=O)c1cc2ccc3sccc3c2o1	705100291	ORKIKOPBFGGVEN-UHFFFAOYSA-N	244.315	4.630	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCC[C@@H]1CC=CCC1	706959512	KELVBGJYVKJRFM-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC1(CN[C@@H]2CC[C@@H]3CCC[C@@H]32)CCCCCC1	707781728	YFXWNXUMWFRCLM-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H](C)CC(C)(C)C	708252619	AOJYMBHHGGZTCN-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@@H](C)CC(C)(C)C	708299241	VAJIWXHZMJPMAJ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC(C)(C)C(C)(F)F	709136899	VSXXNNOTOXPIQK-JTQLQIEISA-N	248.357	4.699	0	10	BJAE	
CC[C@@](N)(C[C@H](C)CC(C)(C)C)C1CCCC1	709158627	CQZDZGOJXFEJEN-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
C1=C(CCNc2ccc(C3CC3)cc2)CCCC1	709665831	WRMWWYUHJCCAHR-UHFFFAOYSA-N	241.378	4.866	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)c1cc(C)ccc1C	710227165	ZLHHVKLKJJVZKJ-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
C[C@H](C[C@@H](O)c1cccc(C2CC2)c1)C(C)(C)C	710788085	QORCLCHTVHBWGT-MLGOLLRUSA-N	246.394	4.670	0	10	BJAE	
Cc1cc2nc(C)c(C(C)C)c(Cl)c2s1	710821301	IGNTZRGKLPMQAD-UHFFFAOYSA-N	239.771	4.690	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CC(C)(C)C(C)C)C1	713150219	PLDRGVWKTWSRRZ-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@]1(CC(C)(C)CC)CC[C@H](C)C1	713338909	JBUBFXUXQHVMIJ-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC(=O)c1cccc(C(C)(C)C)c1	713351441	ZPDDDBZOUUOEJR-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
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CC(C)CSCc1ccc(C(C)(C)C)cc1	1458768041	GHAQKVCEHSNMKF-UHFFFAOYSA-N	236.424	4.873	0	10	BJAE	
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CC(C)CC[C@@H](C)[C@@]1(O)CCCCCC1(C)C	1942651820	ATDGUXBMHWHLGB-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(NC2CCC3(CCC3)CC2)cc1	1944602421	PUOCYDNEDZFXEF-UHFFFAOYSA-N	229.367	4.520	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H]1C)C(C)(C)CC	1944819930	KPGSTQNMHNPZFI-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](O)[C@@H]1CCC(C)(C)C1)CC(C)(C)C	1945589253	WVHNDDUZDSBJCK-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCCC2(CCCC2)C1	1946455164	LVYODVVQDQEWEG-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCCCCCC1(F)F	1947290374	UEOHXUBUYQBQKU-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCN[C@H](CCC[C@H]1C=CCCC1)C(C)(C)C	1947584305	FRGLSMOIJUENFP-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CCC(F)(F)CC	1947882284	AVBAWWZKXMVYRF-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)C[C@]1(O)C[C@H]2CCCC[C@@]2(C)C1	1948596391	PCFRHPCOMRWPJP-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@H](C)C(C)(C)C)C1	1949046287	ZZUULIJJYXRGMW-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
CCCC[C@]1(CNC2CC2)CCC[C@H](C)CC1	1950929032	DAGWRDVOGGAVJV-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(NCC[C@@H]2CCC[C@H](C)C2)c1	1968253200	YOQZPWYJBFWVHF-ZFWWWQNUSA-N	231.383	4.623	0	10	BJAE	
Cc1cc(F)cc(N[C@@H](C)C2CC3(CCC3)C2)c1	1968588921	LXHGMXYDFSCJNN-LBPRGKRZSA-N	247.357	4.515	0	10	BJAE	
CCCC1(CNC(CC2CC2)CC2CC2)CCC1	1971568836	WCQKNSBWXZWNLY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@@H]2CCCCC23CC3)C1	1972741593	FDLBZIZXBCPXIQ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](CNc2ccc(C3(C)CC3)cc2)C1	1973403365	IETOABFBMFYXOS-KBPBESRZSA-N	243.394	4.586	0	10	BJAE	
C1=C[C@@H](C[C@@H]2[C@H]3CCCCC[C@H]32)CCCC1	1980111179	ZZLXPAKKQJOFEF-WCVJEAGWSA-N	218.384	4.949	0	10	BJAE	
C[C@@H](CC[C@@H](O)c1cccs1)CC(C)(C)C	1980700301	WPOZRRDMCSKYCV-NWDGAFQWSA-N	240.412	4.634	0	10	BJAE	
CC(C)=CCC[C@@H]1CCCc2ccccc21	1980979246	BRDJOZYLBUNGRT-OAHLLOKOSA-N	214.352	4.853	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)C[C@H](C)C(C)C)c1	1988303055	QJQGWGRNZXRQBJ-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
CCCC[C@](C)(N)C[C@H]1CC[C@H](CC)CC1	1989815405	ZRPGPJQGKWMQPP-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCC/C=C/CN[C@@H]1CCCCC[C@@H]1C(C)C	1995875452	SUJRRCXDPOHGLK-SNWBSQOPSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@@H]1CC[C@H](C)C1	1996251002	VMUUSFRIQZHAKK-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CC1(CCC(=O)C[C@@H]2CCC=CCCC2)CC1	1999989121	XDAGRSYZXUMLCD-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCNC[C@@](C)(CC)C[C@H]1CCC=CCCC1	1999989825	DWQHKZBOFDZXNE-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC1CCC(C(=O)[C@@H]2CCCC(C)(C)C2)CC1	2000099547	MYXVMOHYZIFCLG-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@H]1CCCC(C)(C)C1	2000164335	XJADNPWVXAUJMT-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1(C)CCCCCC1	2000215080	NKOGICMBFSTGEL-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](C(CC)CC)C1(CCC)CCC1	2000388127	QMVSPLJYBZRLMM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)NCC1(CC2(C)CC2)CCCCCC1	2002515980	NNEYUEOKSHFRBQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1[C@H]2CCCCC[C@H]21	2002761524	BZKUXIRVTGADSP-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](NC)C(C)C)CC1	2003069510	YZUOCDDXFUWYRS-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(F)F)CC1(O)CCCCCCCC1	2003108284	KZMFDZJTJZQVAE-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CCCCCCC2=O)C1	2003112573	WEJMAHYORICDDP-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CC1(C)CCCC1	2003185440	SEWGWWGNYVLIHF-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)CCCC(=O)c1ccc(F)cc1	2003676871	DKQQFFROLYTJLI-UHFFFAOYSA-N	236.330	4.615	0	10	BJAE	
CC(C)=CC[C@H]1CCCCC[C@@H]1CNC(C)C	2004229380	ZRPAQZGBHLRIRG-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H](C)C1(C)CCC1	2004840015	MBHGFGGHOOOZNT-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)CC[C@H](O)C1(C)CCCCCCC1	2004920587	LIUONSWFJBUECR-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)C1(C)CCC(C)CC1	2007697398	PEDZBMUOMTUSGK-LVDPKSTMSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@H](C)C[C@H](C)CCO)CC1	2008725780	CYYNXDGBNJXCEP-WXLSXGNJSA-N	240.431	4.638	0	10	BJAE	
C/C=C/CCCc1cccc(OC2CCC2)c1	2009595467	YMUMKSXVEOPDEW-NSCUHMNNSA-N	230.351	4.517	0	10	BJAE	
CCCCCC1CC(N[C@H](CC)CCCC)C1	2009790729	BHDNWNBVPXOLNH-HWOWSKLDSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)C1=CC[C@@H](C)CC1	2010620736	DSTUWEIHJRLHNR-IJEWVQPXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](O)(C1=CCC(C)(C)CC1)C(C)(C)C	2010713186	LUMAUAYMUROVPR-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@](O)(CC)C1=CC[C@H](C(C)(C)C)CC1	2010723234	UALKJWLITPMGTF-BBRMVZONSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C1=CC[C@@H](CC)CC1	2010729977	UAPZTXLJHJVVOA-LZWOXQAQSA-N	237.431	4.667	0	10	BJAE	
CCNC[C@](CC)(C[C@@H](C)C(C)(C)C)C(C)C	2012421003	HMCPINGZHMVYEG-ZBFHGGJFSA-N	241.463	4.721	0	10	BJAE	
CC[C@](CCC1CCC1)(CNC(C)C)C(C)C	2012426916	PTLIQJWVOZLZKQ-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C(N)(C1CCCC1)C1CCCC1	2013224049	ULGKGZQHAIRPGY-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC([C@@](C)(N)C2(C)CCCC2)CC1	2014337639	DVMKEJSCCUUUEQ-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC(C(C)C)C(C)C)C(CC)CC	2015290449	KFCXRTKNHQRLRG-MRXNPFEDSA-N	241.463	4.719	0	10	BJAE	
CC[C@@](N)(CCC(C(C)C)C(C)C)CC1CC1	2015347035	MCBXIPJKOLTBBS-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCC[C@](O)(CC1(CC)CCC1)[C@@H]1CC1(C)C	2015600230	ZHDUZZYCJVAOIP-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccccc1NC[C@H](CC)C(C)C	2016107870	ZPVOQBWJYDBSAM-AWEZNQCLSA-N	233.399	4.733	0	10	BJAE	
CCC[C@@]1(CC2(C(C)(C)C)CCC2)CCCN1	2017139266	SUGPWDXMWHBPMP-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC1(CCC[C@@H](O)C2(C(C)(C)C)CCC2)CC1	2017158632	MKPYRCJCJYBOJS-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCCC[C@@H]2N)CC1	2017729191	UFVNITQLMFHLLA-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)CCCC1CCC(CC)CC1	2017738649	VQCCPZQRSOWIIL-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](N)(CC)CC(C)(C)CC(F)F	2018133824	IJXFKFPQLFZTCN-CQSZACIVSA-N	249.389	4.746	0	10	BJAE	
C[C@H]1CCCCCCN1CCC1=CCCCC1	2019340903	UDXOHOIJMDMOPC-HNNXBMFYSA-N	235.415	4.532	0	10	BJAE	
CCCN(CC1=CCCC1)C1CCCCCC1	2020501183	JWAJRNHJXVFZQE-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CC1(CC[C@]2(C)CNC(C)(C)C2)CCCCC1	2022140097	BZKFXAWCUJSNDJ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)C(=O)CCCCC(C)(F)F	2023344818	XQRHMASTOVSGAH-UHFFFAOYSA-N	248.357	4.988	0	10	BJAE	
CC1CC(CC(=O)C[C@@H]2CCCC(C)(C)C2)C1	2024092806	VBRQTSZTAIMXSM-MOKVOYLWSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@@H]1CCCC(C)(C)C1	2024124625	QKKRLOWYYFAUQZ-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(F)cc2cc([C@H]3CCC3(C)C)[nH]c12	2024284485	BLCFMUMQTZDPMN-GFCCVEGCSA-N	231.314	4.519	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1CCCC[C@H]1F	2026058369	DEKVOVNSXIHWLO-MELADBBJSA-N	242.378	4.690	0	10	BJAE	
CC(C)c1ccccc1C(=O)CC1CC(C)(C)C1	2027519643	FMSRPJPGNKPSLU-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1CC[C@H]2C[C@H]2CC1	2028963323	BMGFMPCAGRFHEO-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C1CCCC([C@H]2CCN2CCC2CCCC2)CC1	2031762591	SXRUJNNXAOIZDW-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCCNC[C@@]1(CC2CC=CC2)CCCC1(C)C	2032104991	HFJIUNZEDPWEGQ-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C(=O)CC1CCC=CCC1)C1CCCC1	2032298465	ZJPITLFHOZSMMQ-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@@H]1CCC(C)(C)C1	2033387945	PIPVQLXIEJMECI-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@H](N)C23CCC(CC2)C3(C)C)CCCC1	2033434211	BBOJHPFDRYJPHS-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc2cccnc2c1	2034179676	BLLMXAATPRAHGG-AWEZNQCLSA-N	242.366	4.616	0	10	BJAE	
C[C@@H](C[C@]1(N)CC[C@H]2CC[C@H]1C2)C1CCCCC1	2035043175	HPUHJAFVXLOYRP-HDEZJCGLSA-N	249.442	4.501	0	10	BJAE	
C1=C[C@H](C[C@H]2CCOC3(CCCCC3)C2)CCC1	2035552978	AGODVMRVENLHCC-JKSUJKDBSA-N	248.410	4.862	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCCC2)CCCC1(C)C	2035591727	WOODADBXTVBLLA-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
C(CCN[C@@H]1C[C@@H]2CCCC[C@@H]2C1)CCC1CC1	2035862577	RWBNAETUYAJTCP-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
O[C@@]1(C2=CCCCCCC2)CCCCC12CCC2	2035927209	SOEIXMFWHGQIOC-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CC([C@H](O)c2ccc(C(C)C)cc2)C1	2036478736	YRHUHYDVHZRFHR-AQFXKWCLSA-N	246.394	4.670	0	10	BJAE	
CCC/C=C/CN[C@@H](C)c1c(C)cc(C)cc1C	2036763896	YDYJTLPEPRCTAT-FDMDGMSGSA-N	245.410	4.619	0	10	BJAE	
CCC1(C[C@@H](N)c2ccccc2C2CC2)CCC1	2037104175	XTZHIXJURIIEBR-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)CCCC1CCC1	2037144267	WMERUWLZNPUSEG-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](C1CCC1)N(C)[C@@H]1CCC2(CCCC2)C1	2037681480	GJHKCFVDKCMDPW-CVEARBPZSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CCc3ccccc3N2)C1	2037699958	TYRGGSNFAZWXQE-ZFWWWQNUSA-N	243.394	4.630	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)[C@H]1CC12CCCCC2	2039085473	NUVDPSDJCRFVHK-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C2=CCCCCCC2)CC1	2039373945	JQQHHPJXQUZRFR-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CN[C@H](C)C1CCCCC1	2039445808	AMANWRBLDJJHCE-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C2(CC)CCC2)cc1	2039734085	IYFNIZBNEQSGMR-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@@]1(C)CC=CCC1	2042031961	XSWVUZGLOIGWOK-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@@]23CCCC[C@H]2C3)C1	2043001666	TXRVTAJMLVNZRJ-ICEJCHNJSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C1CCC1)N(C)C[C@H]1CCC=CCCC1	2045311309	IXPAQFHLPUQLSE-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
CC(C)(C)C1CCC(=CCC2CCNCC2)CC1	2045595058	AWAIDERHIXGZRK-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)[C@@H]1CCCC(C)(C)C1	2045682126	IJEWWRYLEVXXNH-RRFJBIMHSA-N	248.410	4.764	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CC[C@@H]4C[C@H]4C3)c12	2047346161	MGHMWAPOIQGCAG-OWCLPIDISA-N	239.362	4.565	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C[C@@H]1CCC12CCC2	2047931118	CNVJHRRFTXTOFX-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2CCC23CCC3)C1	2047937155	VTDDJECCSPLDNL-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@H]1CCC12CCC2	2047940454	VJMLYWZMUKAOEU-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@H]1C[C@H]2C=C[C@H]1CC2	2049704773	PBVKVMFTJIIOKR-CAOSSQGBSA-N	246.394	4.518	0	10	BJAE	
C[C@@]1(C(=O)[C@@H]2CCC3(CCCC3)C2)C=CCCC1	2050007841	GFLMAGMBDFLSJF-GDBMZVCRSA-N	246.394	4.662	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@]1(C)C=CCCC1	2050010557	VAUGVOFHABHQLV-KRWDZBQOSA-N	242.362	4.568	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C1(C)CCC1)c1ccccc1	2052348278	JDTIKXILPOBQRC-GOEBONIOSA-N	245.410	4.696	0	10	BJAE	
CC[C@H]1CC=C[C@@](N)(CC2CCC(C)(C)CC2)C1	2054986769	HPMYWVRWQSTHAW-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)[C@H](N)[C@@H](CC2CCC(C)(C)CC2)CC1	2055526113	LCZMCVAPFREECA-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)Nc2ccc(CF)cc2)C1	2055678044	LZZSTTWXGVEPRK-NFAWXSAZSA-N	249.373	4.783	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)CCC1(C)CC1	2056872250	BAVDZWFAZSEJCA-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
O=C(C[C@@H]1CCC[C@H]2C[C@H]12)C[C@@H]1C=CCCCC1	2057358241	QZXZIMQGFMNJKM-WBTNSWJXSA-N	246.394	4.518	0	10	BJAE	
CC=CCCC[C@H](O)c1ccccc1CC(C)C	2059221447	NERUMBKUBJUISJ-KRWDZBQOSA-N	246.394	4.665	0	10	BJAE	
CC=CCCCN[C@@H]1CCCCC12CCCCC2	2059226400	YXZMXHQOLJJISY-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC1([C@@H](NC)C2=CC[C@@H](C(C)(C)C)CC2)CC1	2061095432	MYCTVQBPWIPXAW-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@]2(N)C=CCCCC2)CC1	2061112934	KFLUNAYUZNOVAX-YOEHRIQHSA-N	247.426	4.587	0	10	BJAE	
CC[C@](N)(C1=CC[C@H](C(C)(C)C)CC1)[C@H]1C[C@@H]1C	2061115759	KDHLVZXFSAEIEB-HPZZRFSDSA-N	249.442	4.523	0	10	BJAE	
Cc1cccc(F)c1NC1CC2(C1)CC(C)(C)C2	2061133058	ONEOKAXMLRYIJT-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
C=C=CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1NCC	2061561959	XZSPHEJVEWHJKB-OWCLPIDISA-N	249.442	4.548	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H]1CCC[C@@H](C)CC1	2061565916	HRIQICCNGXMHNP-IKGGRYGDSA-N	249.442	4.692	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)CC1CC(=C2CC2)C1	2061664462	IWMHUDQQDROXTB-KRWDZBQOSA-N	249.442	4.523	0	10	BJAE	
CC1(C[C@@H](O)CC2CC(=C3CCC3)C2)CCCC1	2061688217	MOTBBSXTSSNCRR-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
c1ccc2c(c1)ccn2CC1CC(=C2CCC2)C1	2061702002	PDTYHWBLOZLZQU-UHFFFAOYSA-N	237.346	4.532	0	10	BJAE	
CCC[C@H]1CCCCN1CC1CC(=C2CCC2)C1	2061708077	YXEBOEUQADLIKN-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCCCCC23CC3)CC1	2062008958	JRQQZWPDFNZSAH-PBHICJAKSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNC1CCC2(CCCC2)CC1	2062602795	KYJOKDYKFAORJF-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC1(N)CC2(CCCCCC2)C1	2062642520	QGWOLUHMOHDZOV-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](N[C@@H](CC)C1CCCC1)c1occc1C	2063679846	CXFBUBYDMNPVRG-GJZGRUSLSA-N	249.398	4.598	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C12CCCC1CCC2	2063831197	TUPNZDNMMBWNHX-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1C(=O)CC1CC(C)(F)C1	2065829554	LRMGBKSLTCJCKK-UHFFFAOYSA-N	248.341	4.521	0	10	BJAE	
C[C@@H](NC[C@H]1CCCC2(CC2)C1)C1(C)CCCC1	2067509288	QIKYAFAKJPQVCV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C[C@@H](C)[C@H](O)c1ccccc1)C(C)C	2068817597	MNYHQFFYOQDDBN-PBHICJAKSA-N	248.410	4.674	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C1(CC2CC2)CCC1	2069510611	DPYWKNQHBDNNIA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@H]2CCC=CCCC2)CC1	2069517117	ILJJVAJWJZTMIU-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)C2(CC3CCC3)CC2)C1	2069566551	LFRGFAKKCPABCF-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NCC1(CC2CCC2)CC1)C1CCCC1	2069580035	FTYNEPXYOBQHKH-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCN[C@@H]1CCC2(CCCCC2)C1	2071465019	IBEAKSPRYNGZPI-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)C2(C(C)(C)C)CCC2)c1C	2071925724	IDCVJNLDBAIXAV-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@@H]2C[C@H]2C2CC2)CC1	2072880825	AIDWNZDVHCXQHZ-SMKXDYDZSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@](N)(CC)c1cccc(C2CC2)c1	2073342093	URMKOBNVASVKHI-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@@]23CCCC[C@H]2C3)C1	2074033079	IXQONTORYLQIQX-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H]2CCNC3(CCCCC3)C2)CCCC1	2074133831	NKPIFELPOIHCHO-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H]2CCNC3(CCCC3)C2)CC1	2074136037	XGYJBMXKJNPBQT-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(-c2ccc(O)c(F)c2)cc1	2077926975	HNGVGERMTKDWAQ-UHFFFAOYSA-N	244.309	4.541	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1C[C@@H]1C1CCC1	2079351195	XOSAGRNUOKBLSN-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN[C@H]1CCCC12CCCCC2	2079452131	VVUHLYBCUIVJKD-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1C[C@@H]1C1CCCC1)C1CC1	2079471983	CJPVWIQITANEKO-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C[C@H]2C2CCCCC2)C1	2079531171	QLZDTYYQJOZXGO-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CNc1cccc(C2CCC2)c1	2079623730	IOMYXOXPIXCSHA-WBVHZDCISA-N	243.394	4.658	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CCC[C@H]2CCCC[C@H]21	2081117304	CEJMYTSLBSNEGK-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@](N)(CC)Cc1cccc(C)c1C	2082925997	QDBLDZONEREVDI-KRWDZBQOSA-N	247.426	4.534	0	10	BJAE	
CCc1ccccc1Cn1ccc2c(C)cccc21	2087766953	VACJLMVADUKLKI-UHFFFAOYSA-N	249.357	4.560	0	10	BJAE	
C1=C[C@@H](CNc2ccc(-c3ccccc3)cc2)CC1	2096808209	XRVCULDKOLEMMB-OAHLLOKOSA-N	249.357	4.732	0	10	BJAE	
CCCCCCc1ccc([C@@H](CC)NC)s1	2210513840	MOSQLLUCXPFQTD-CYBMUJFWSA-N	239.428	4.541	0	10	BJAE	
CC(C)CC[C@@H](N)CCCCCCC1CC1	2210525511	RDNNGYVKQRSOHN-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@](O)(CC)CCCCCCC1CC1	2210526932	LKTBGPYMZABVKL-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCCCCC[C@@H](O)CC1(C)CC(C)(C)C1	2211617752	NRZSPKNTZDJTFZ-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(-c2cc(C)c(Cl)c(C)c2)cc1N	2212871423	OLTZHXNAWUVJTM-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC(C)(C1CC1)[C@H](N)CCCCCCC1CC1	2213581285	UWPJBDKLYBZJDP-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCN(CCCCC1CC1)C1CCCCC1	2214552751	NSKPGYOAXSFRHT-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)CC1(C)CC(C)(C)C1	2215393179	KTMJBLBFVCOYRJ-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC2(C)CC(C)(C)C2)C1	2215430112	CPZMSFRUYDBDNB-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@](C)(N)CC1(C)CC2(CCC2)C1	2215438639	XFKJQCZNGCRPQL-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@H](C)[C@@H](N)CCCCCCCC1CC1	2216877759	PQWRHQMPDGPHCT-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@](C)(CCC(C)(C)C)CNC1CCC1	2217125293	OCCPWFITNFOXFJ-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CN[C@@H](C)CC)C1CCCCCC1	2217151096	RPYYSEUVWWXHDY-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](N[C@H]1C[C@H]2CCC[C@H](C2)C1)C1(C)CCCC1	2218341171	VSCSNXSODKMABM-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCCC1(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218360169	ZEEGBKZTPQVZNJ-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218375390	VEHNMWMHFFJRFL-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
O[C@H](CCCCC1CC1)c1ccc(C2CC2)cc1	2220028361	RILZJCZMRVFBPN-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(N)(C1CCCC1)C1CCCC1	2220677760	XPBBXRBDYWBUMI-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC1(CC2(C)CC(C)(C)C2)CC=CC1	2221029160	XJZKCXRCZSQQGH-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](NC)[C@@]1(C)CC=C(C)CC1	2221632391	QMFZHJFYUNLPFT-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CN(CC1=CCCC1)[C@H]1CCC[C@H](C(C)(C)C)C1	2222267366	PLGGGIXPQZGIHE-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
C(CCCN[C@@H]1CCC[C@@H]2C[C@H]21)CCCC1CC1	2223107486	YNSCXCDOCWLENE-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(CNC2CCC2)C=CCCC1	2223546552	KPKATNUEKRSEFS-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](CN)CCC[C@@H](C)CCCC(C)C	2244841185	DDEXUQDFKPFUTA-LSDHHAIUSA-N	227.436	4.604	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)CC(C)C	2244847708	RXXVPIBFSQBPML-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)[C@@H](O)CC[C@H]1CCCCC12CC2	2246628827	AQQZBYGQAJAENL-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)CCCC2CC2)C1	2246695079	OCSVAIAUWMWOPY-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@H](O)CC[C@@H]1CCC[C@H](C)C1	2246724691	FRIPXWLNSNHPEZ-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CC2(CC(C)C2)C1	2246844461	CLNZTHNZQBMKBU-KXVRIMHRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CCCC[C@@H]1C[C@@H]1C	2247175104	YRDPLFLYVOSNHA-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@](C)(N)CC[C@H]1CCCC12CC2	2247583819	NJTDLUUHCBYLET-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)[C@H](C)NCCCCC[C@H]1C[C@@H]1C	2248866774	RNRQIBHXSDSVTL-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](CC(C)(C)C(C)C)NCC	2250355808	NAJRJHNZDUGMOC-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1CC12CCCCC2	2250360327	WKHMMVJKYGERRO-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccc(C(C)C)cc1	2250380536	ZABCAQZWSQNYAM-CJNGLKHVSA-N	233.399	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@H]1CCCCN1	2250472498	DRODNMPEEQJFJH-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)CCC2(C)CC2)C1	2251535897	PIBSQSQIUJFSOF-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CC1(C)CC(C)C1)N2	2253754400	SSQXFQVRRXIWMC-GNHJJJEISA-N	243.394	4.548	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CCCCC23CC3)CCCC1	2253782707	KKOWCMUPRALORE-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(CNC3CC3)CCC2)C1	2253929828	KXMVFHXGUBCASJ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](C)(CNC1CC1)CC1CC2(CCCC2)C1	2254060882	MGMXWGBUEFCBPD-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)CCCC[C@H]1C[C@@H]1C)c1ccccc1	2254575681	FELJZFUNQVFFLZ-DZKIICNBSA-N	244.378	4.576	0	10	BJAE	
CC(C)c1cc(C=O)cc(C2[C@H]3CCCC[C@H]23)c1	2254747552	DIOVHRWCJARSIV-HOTGVXAUSA-N	242.362	4.526	0	10	BJAE	
C[C@H]1CCC[C@@H](CCN(C)CC2=CCCCC2)C1	2255135995	IZZIUZDGMUKBSV-HOTGVXAUSA-N	249.442	4.635	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(CC[C@@H]2CCCC23CC3)C1	2255256616	ACXAIQNPMHPTOW-PMPSAXMXSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC[C@@H]2CCCC23CC3)C1	2255271732	XKEKMSXPERIDCV-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
O=C(CCCCCC1CC1)C[C@@H]1CCCC12CC2	2255338293	QLWKSPYJPQGDJU-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCN[C@@H](CC[C@H]2CCCCC23CC3)C1	2257741908	MNUBRFQVOPWYLV-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](Nc1cccc(C(C)(C)C)c1)c1ccoc1	2257966864	GWHJFBSUSSVOOB-GFCCVEGCSA-N	243.350	4.750	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@@H](C)c1ccccc1)NC	2259451015	BLHLWDNMCZQGKW-HLLBOEOZSA-N	247.426	4.595	0	10	BJAE	
CC[C@](N)(C[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2260658500	PPCYKCSDQJKRIT-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1CCC(N)(C[C@@]23CCC[C@H]2CC3)CC1	2260667313	CDXGUKQGNQAATB-YZUHTNEWSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C=Cc2cccc3ccccc23)cn1	2297616513	FLRJERDWTATWNQ-UHFFFAOYSA-N	245.325	4.714	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@]12CCC[C@H]1CC2	2300495936	DJLGVOXOTWDATH-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC1(CCNc2cc(C3CC3)ccc2Cl)CC1	2300671419	IGOABIHJJOBOPA-UHFFFAOYSA-N	249.785	4.820	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCCCC12CC2	2300699565	GQCLVMLFNNUUCE-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC(C)=CCC(C)(C)[C@H]1CC[C@@H](C)CC1=O	2300867466	MKBLTWSNRYBGAN-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@H]1CC=C(C)CC	2300926893	PUJZVIMJHLZLQB-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CCNCCCC1=CCCCC1	2302327737	BPVPYNUBKCCSAH-HNNXBMFYSA-N	237.431	4.683	0	10	BJAE	
CC[C@@H](C(=O)CCCC1=CCCCC1)C(C)C	2302356391	MQGUKLJGKUMSNY-OAHLLOKOSA-N	236.399	4.908	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@H]2CCC(C)(C)C2)C1	2302766662	YBPDQWMSUUQESO-FUJMWEONSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)C[C@@H]1CCC(C)(C)C1	2302900377	DFIUYTBZCUMYLV-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CCCCCCC(=O)C[C@H]1CC[C@@H]1C(C)(C)C	2303474589	GVGJNXCXYLCYKQ-HIFRSBDPSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C[C@@H]1CC[C@H]1C(C)(C)C)NCC	2303487800	QGDCVHACLXIZSF-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)CCCC[C@@H]1CCC(C)(C)C1	2304417143	AAXIDDUSBYZHOG-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@@H]1COc1ccc2ccccc2c1Cl	2307639247	WVLHPTJNZNZFBS-CMPLNLGQSA-N	246.737	4.528	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCCC2(CC2)C1	2307760475	IFVMRZQZLAYDPL-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](O)c1cccc(C)c1	2307818907	GRTPRDHSTSFRKK-GOEBONIOSA-N	234.383	4.635	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)[C@@H]1CCCC2(CC2)C1	2307901183	XSIMEHCRUYMOJC-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1C[C@@H]1CCC[C@H]1C	2308414127	VIFBLBAXZWULCF-HGTKMLMNSA-N	243.394	4.658	0	10	BJAE	
CC(C)C1(CC(=O)C[C@H]2CCC[C@@H]3C[C@H]23)CCC1	2310986648	WSMOVENKYQNUST-IIAWOOMASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)[C@@H]1C[C@H]1C1CCCCC1	2311525224	HSFPJMDKDPNGAA-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)C1	2312958521	RYLVUFWWOUXZFY-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2	2313179684	PQSZXNUTYXEFJT-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)C[C@@]12CCC[C@@H]1CC2	2313337441	MYVGVBKTQWKYGJ-BIVLZKPYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)C1(N)CCC(C2CCC2)CC1	2313607983	HLFLTTNRLNZMBT-NVPAJSRCSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2c1N[C@@H]([C@@H](C)CC1CCC1)CC2	2313646548	ZOKUFBUPWDTHKS-XJKSGUPXSA-N	243.394	4.548	0	10	BJAE	
CC(=CC[C@@]1(N)CC[C@@H]2CC[C@@H]21)CCCC(C)C	2316537444	QQOBGCHYQPETMV-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
N[C@@H]1[C@H](CC2CCCCCC2)C[C@H]2CCCC[C@H]21	2316871239	YYOYMPKYGXECPF-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)CC1CCCCCC1)c1ccccc1	2316999502	TWQDWCMQHTXICA-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
C[C@@H]1CC=CC[C@@]1(CO)CCCC1=CCCCC1	2318538790	MZEBUIIIMNDNKN-WBVHZDCISA-N	248.410	4.622	0	10	BJAE	
CC(C)(C)c1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@@H]1C3	2318849791	WIOUHCWUTJYXCB-ZYHUDNBSSA-N	239.362	4.515	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@@H]2CCC(C)(C)C2)CC1	2319120812	HRWMXEVLRXYDGQ-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@](N)(CC[C@H]2CCCC23CC3)CC1	2320267642	HIGZNIOWYOZIGI-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H]2CCC(C)(C)CC2=O)CC1	2320336198	FLRJEQYVIOPQRP-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CCCN(Cc1cccc(C(C)C)c1)C(C)(C)C	2320633670	KPOVVDHCHHHYJO-UHFFFAOYSA-N	247.426	4.821	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@H](CC2CC2)C2CC2)CC1	2320766500	VABVJBUYXOIRKN-DAXOMENPSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)cc(NC[C@@H]2CCC[C@@H](C)C2)c1	2321084963	MJVKHMMHIAHXQX-TZMCWYRMSA-N	249.373	4.626	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cc(C)ccc1C(C)C	2327676517	YEHXBHBRLXKWER-RHSMWYFYSA-N	247.426	4.945	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)CCCC(C)C)c1	2327699920	VCSKHWFKIFXKER-KRWDZBQOSA-N	248.410	4.978	0	10	BJAE	
Oc1ccc(-c2cccc(-c3ccccc3)c2)cc1	12353740	RTGOUTDTQCZVID-UHFFFAOYSA-N	246.309	4.726	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1ccccc1F	19980281	NEPDZTPBDBYPOE-OCCSQVGLSA-N	249.373	4.843	0	10	BJAE	
CC(C)C[C@@H](C)Nc1ccccc1C(F)(F)F	19996564	RTRSYLZQRFTUJP-SNVBAGLBSA-N	245.288	4.552	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCC[C@H]1C	20553670	BIGOQFJFFTWHDP-UKRRQHHQSA-N	231.383	4.801	0	10	BJAE	
CCCCCNc1ccc(Cl)cc1Cl	21805774	ZYWMPBQGYCLLPY-UHFFFAOYSA-N	232.154	4.596	0	10	BJAE	
CCCCCCN[C@H](CC)c1ccc(CC)cc1	37224082	ZZUYOJUPDCVTHR-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
Cc1ccc2c(c1)sc1cc(C)ccc12	39260078	ONJGEBKWOANHSB-UHFFFAOYSA-N	212.317	4.671	0	10	BJAE	
CCCC[C@@](CC)(CCC)CNCC(C)C	71127992	LDBIJWXFUSIBIT-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCc1ccc(N[C@H]2CC[C@H](CC)C2)cc1	80428008	VQEDUHICBRJQMZ-BBRMVZONSA-N	231.383	4.630	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@H]1CCC[C@H](C)C1	84417681	CCAWDWGGIWRUML-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCC[C@H](C)CC2)cc1	86887964	RQVXTGKKXARLCY-YSVLISHTSA-N	245.410	4.614	0	10	BJAE	
Cc1cccc(NC[C@@H]2CCC[C@@H](C)C2)c1C	89604459	DDNILVCIYVZSLT-IUODEOHRSA-N	231.383	4.542	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCC[C@H](C)C1	103929396	OJAPSDHFFJTJJB-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CC/C=C\C[C@H](C)c1ccc(C)cc1F	107509338	MZFDKAANCPRRGX-FJOGCWAESA-N	206.304	4.594	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@H](C)C(C)(C)C)cc1	111649098	PAJNXUXGRMEUDR-XJKSGUPXSA-N	247.426	4.882	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@@H]1CC	164022491	HRHQRXRNGMQYRH-DZGCQCFKSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCCC)C1CCCC1	167440488	MNTCKLQGFLYVRU-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](CC)(CNC)C1CCCCCC1	168031773	AQDJDSPCNSAGOV-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
C[C@@H](C[C@H](N)C1=CCCCCC1)CC(C)(C)C	203419707	QKPHUEJMHFSZIX-ZFWWWQNUSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]([C@@H](O)c1cccc2ccccc12)C(C)(C)C	204583272	GHBXXWDPXAIRIR-BLLLJJGKSA-N	242.362	4.555	0	10	BJAE	
CCCCCCN(C)C[C@@H](CC)CCCC	218278288	UTTXDPNKDGIQRV-HNNXBMFYSA-N	227.436	4.715	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC1CCCCC1	229228230	ZIDWWAWDXONSJC-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)c1c(C)cccc1C	233919181	YYYNBXWHXCGTSP-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
CSc1cccc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1	251957605	XILNQYPBDNWIKB-YRGRVCCFSA-N	249.423	4.645	0	10	BJAE	
CCc1ccc([C@H](O)C2=CCCCCCC2)cc1	300127705	FEBNCFRZOTWKTO-QGZVFWFLSA-N	244.378	4.563	0	10	BJAE	
CCC[C@](O)(CCC1CCCC1)c1ccccc1	302263405	PGYNZDHUUWXEMA-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CCC2CCCC2)C1	304123828	DKOAZPVMMAPEGY-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
c1ccc(-c2nc(-c3ccsc3)cs2)cc1	304355226	RDVVSBNFDZYXDF-UHFFFAOYSA-N	243.356	4.539	0	10	BJAE	
CCCCCC[C@H](C)NC(C(C)C)C(C)C	304527182	LHCDQZSJQPMFMW-AWEZNQCLSA-N	227.436	4.616	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	304580134	YHDRFSKSFZHQKQ-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
Cc1cc(C)cc([C@](C)(O)C[C@H](C)CC(C)C)c1	305994774	UEIAHEDBYFHGMY-NVXWUHKLSA-N	248.410	4.583	0	10	BJAE	
CSc1cc(Cl)c2cc(Cl)sc2c1	307490135	FWLUJCBNHYBKKF-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCc1ccc2c(Cl)csc2c1CC	307649152	HYYDFDJMBZZTSY-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CCCC(C)C	308024141	MCLFIWQEUFNOFM-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@@H](C1CCC1)[C@@H](CCC)CC(C)C	308058291	SAPBCRXLUNQRKC-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CC)C[C@H]1CCC[C@@H](C)C1	310125112	IXXJKGLWUWHKGT-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCc1cccc([C@H](O)C(C)(C)C(C)(C)C)c1	311128559	BPUOBPDZOCRUGB-HNNXBMFYSA-N	248.410	4.745	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CCCC12CCCCC2	313123387	SMLLRKKDNBEATN-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCC[C@](O)(C1CCC1)[C@H]1CCC[C@@H](CC)C1	322368600	IVZSVOMIWACZGV-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C(=O)CCC1=CCCCC1)C1CCC1	322652395	YJFWRYNTUBAOIH-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@@H](C)CCCC/C=C\c1ccccc1	324180170	SEARBBDERMDEOQ-LJEUOOAZSA-N	245.410	4.648	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC/C=C\c1ccccc1	324353990	ZTCRAQOSAJBYQT-RLSVRPBNSA-N	246.394	4.667	0	10	BJAE	
CCCCC[C@@H](O)C[C@@H](C)C1CCCCC1	380169485	WORQELPXLHYZIK-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](CC(CC)CC)c1csc(C)c1	381368949	IRQMMXHBTXYKFJ-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CC[C@H](Nc1ccccc1C)c1ccsc1	382060238	ALVABHOKRJGGEV-ZDUSSCGKSA-N	231.364	4.620	0	10	BJAE	
CCCN[C@H]1CCC[C@H]1CCCCCC(C)C	383409553	WKGOXVAKKBBJEO-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)[C@H](C)CC(C)C	383772139	HXJDZLDFDJSKBS-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc([C@H](O)CC2CCC(C)CC2)c1C	386866103	VFPCDRLQQDMCGJ-MWHAMWOXSA-N	246.394	4.553	0	10	BJAE	
C1CCCC(CN[C@H]2CCCC23CCCC3)CC1	389491498	SMMWNBNWIMCFFO-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H](NCC[C@H](C)CC)c1ccccc1	394466921	YGZDHRJJEYATFQ-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CCCC1(CNCC2(C)CCCCC2)CCC1	394645875	NCROKMXPEPBSBQ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CCCCCC(C)C	394876470	XDUKRXVIGAUFFU-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
CCc1cc2sccc2c(C(F)F)c1S	396258288	ZHKXFANVJHAARZ-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1c(C(F)(F)F)cc2sccc2c1F	396296309	KDSJGGLMMDZLPN-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)[C@@H]1CC1(C)C	397809234	HUXSJMFICOTAIX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@H](C)C2CCC2)cc1	398902820	ILTKUFSIFGLRNI-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CCCC[C@@H]1CC	401964546	RWIRRWMVYJMXPY-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)c1ccc(OC[C@H]2CC=CCC2)cc1	402318810	KPAKVMNOYOLGHD-AWEZNQCLSA-N	244.378	4.719	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CC[C@@H]3C[C@H]3C2)c1	403823818	LNJLXFPMIKEGKN-FVQBIDKESA-N	243.394	4.658	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC(C)(C)c1ccccc1	686714360	SARROLPIHATUPS-HNNXBMFYSA-N	247.426	4.508	0	10	BJAE	
CCC1([C@@H](O)C[C@H](C)C2CCCCC2)CCC1	687586734	RTNJHDQVEFXSDD-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](c1cccc(C(C)C)c1)C(C)(C)C	688951317	WZIKCIOOPXCZLW-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H]1CC[C@@H](C)C1	690189918	UXFAYSCYHZBNMX-WBMJQRKESA-N	245.410	4.720	0	10	BJAE	
CC(C)C1CCC(N[C@H]2CCC23CCCC3)CC1	693799439	ZRGHQHKFGCQWJU-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)(C)C)CC(F)F	694057892	FTPIBAJINWTQDE-CQSZACIVSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCCC2(CC2)C1	695721266	BLUXFCSNRZRQGA-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC(C)=CCCc1ccc(C(C)C)cc1	698083244	IZTLRNQQQXREET-UHFFFAOYSA-N	202.341	4.709	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C(C)(CC)CC	701118258	KFGFXOXJHCDNCC-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](C[C@](N)(C1CCC1)C1CC1)C1CCCCC1	705391403	UAHABNZJFZRRTJ-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@H]1CCCCC[C@@H]1CN)CC(C)(C)C	709076996	IEIGTVQKBXKNTM-QLFBSQMISA-N	239.447	4.604	0	10	BJAE	
C[C@H](C[C@H](O)C(C)(C)C1CCC1)CC(C)(C)C	709170761	XESRVMJDZIVLIG-OCCSQVGLSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(O)CCCCCC1	709247561	LGEHJZQEQMNYFK-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
C[C@H](CCC[C@@H](O)c1ccccc1)C(C)(C)C	710718677	MGHNYDHIDXISNY-UKRRQHHQSA-N	234.383	4.573	0	10	BJAE	
Cc1ccc([C@](C)(O)C[C@H](C)C(C)(C)C)cc1C	710799276	LVFCVXKRRUTBNO-WMLDXEAASA-N	248.410	4.583	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C[C@H]2CC[C@H](C2)C1	711008909	NKDKOCVDPBNMIL-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C(C)C)[C@@H](C)CCC	713216079	KVDUPBIUZYHUEZ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(Cl)c(OCC(C)(C)C(C)C)c1	713238664	CKNKFFBHZKZNBJ-UHFFFAOYSA-N	240.774	4.709	0	10	BJAE	
C=C/C=C\CCCc1ccc(F)cc1Cl	713745355	MAOWPKIRPYPUOO-ARJAWSKDSA-N	224.706	4.544	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CCC[C@H]2CCCC[C@H]21	714296524	AQQYKHZMHOPILR-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC[C@@H]2C[C@H]2C2CC2)C1	714836021	LGLIGJNGSSOHGO-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CC[C@H]2C[C@H]12)C1CCCCC1	716836793	VBARQZGBRNHGMC-VWNJHIHFSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC1(CNC2CC2)CCC=CCC1	718041349	ZTMDDSDNFWIXGG-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
c1ccc(N(CCCC2CCC2)C2CCC2)cc1	1175293114	ZAHSTNBLWCCZJF-UHFFFAOYSA-N	243.394	4.626	0	10	BJAE	
CCCCC1(NC[C@@H]2CCCC(C)(C)C2)CC1	1461810285	JRBHSKOPAOKCFP-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CSc1ccc2c(c1)C=Cc1ccccc1O2	1615094646	UNOSQYTUFLFZPJ-UHFFFAOYSA-N	240.327	4.685	0	10	BJAE	
Cc1ccc(SCc2c(C)cccc2C)cc1	1643506655	FVQGMXFSRZHVIQ-UHFFFAOYSA-N	242.387	4.904	0	10	BJAE	
CCc1ccc(NC[C@H]2C(C)=CCC[C@H]2C)cc1	1656859653	OVCDCOBZABQTDG-PBHICJAKSA-N	243.394	4.653	0	10	BJAE	
CC=CCCCc1ccc(Cl)cc1C	1885373753	PJTDEETWBFZRPY-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CCCc1ccc(CCC=C(C)C)s1	1887749948	DLJWBDVXWYDSGJ-UHFFFAOYSA-N	208.370	4.599	0	10	BJAE	
Cc1ccc(C(C)C)c2cc(C(F)F)[nH]c12	1900674599	AWCIDBCFLQWSSJ-UHFFFAOYSA-N	223.266	4.537	0	10	BJAE	
CCc1ccsc1[C@H](N)CCC(CC)CC	1900695539	GZWRCKVANODVET-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
CC(C)(C)C(=O)CCCC1CCCCCC1	1901133237	OPZRPDLRCGRZRU-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1cc(F)cc(Cl)c1	1901713143	ZSGNQVMSVCJXNG-NXEZZACHSA-N	243.753	4.572	0	10	BJAE	
CCCC=CCN[C@@H]1CCC[C@@H](CCC)CC1	1914681107	ZUJQLLGJOQXVKV-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(N)CCC3(CCCC3)C2)C1	1916440338	VVWJOYVNVGSZMP-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1CCCC(F)(F)C1	1919538937	QMKWQVWWGWQUSZ-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@@](C)(O)C(C)(CC)CC	1919958508	IMXOJBLSHLOLQO-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)C1CC(C(C)C)C1	1921108660	YOUXYTSATQDGCZ-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]1CCC1(N)CCC(C2CCC2)CC1	1921581947	ZBOWAYQVNFBKGH-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)[C@H](C)C1CCC1	1925785383	IFRUHNSCQKINCI-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)C1=CCCCCC1	1927000527	QVLWCMDKVPISPE-VMBOVVBDSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCCC[C@H]1O	1936810221	XAGGYXCMJJRJIF-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](CC)CC1CC1	1939406747	MVDPAPCJNPPEKA-HUUCEWRRSA-N	225.420	4.514	0	10	BJAE	
CC(C)CCCCC[C@]1(CN)CC=CC[C@@H]1C	1940954699	WWGWTGNBMUAECO-JKSUJKDBSA-N	237.431	4.524	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]3CC[C@H]32)c2sccc2c1	1941024541	JVNRYMVQDLNMTJ-CYZMBNFOSA-N	243.375	4.502	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C(C)(C)C1CC1	1941139971	OCCAICLZNQLMQD-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC1(CNCCCCCC2CC2)CCCC1	1941581912	PVAGAIVYEIAYHA-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC(C)c1ccccc1NCC(C)(C)C(F)F	1941608999	ZQAJDXHBRGEWGQ-UHFFFAOYSA-N	241.325	4.513	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1C[C@H]2CCCC[C@@H]21	1941719414	YTEGVGJRTSHQOT-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CC(C)CC[C@H](C)NC1CC2(CCCCC2)C1	1941799610	FMCHWUAJEGSJLV-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@@H]1CCC[C@H]1C	1944850586	VXGXZBYHYVFVKK-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)N[C@@H]1CC[C@H](C)[C@H]1C(C)C	1947510751	QOKOIKJFRUOVPB-NUEKZKHPSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H]1C=CCCC1)C(C)(C)C	1947558793	MPNGIRDZRREEFT-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
Clc1cccc2ccn(C[C@@H]3C=CCCC3)c12	1947568356	BXJQRBPOUXEJDP-GFCCVEGCSA-N	245.753	4.651	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CCC2)c1cccs1	1947881169	LLWVPFKBYADIEO-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
CC(C)(C)C1CCC(C[C@@H](N)C(C)(C)C)CC1	1948914201	KOPGBVMYCOWOER-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCCC2(C)CC2)CC1	1949055149	PNECOYIWNOICLH-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC1CC2(CCC2)C1	1949840033	LRSSORGRLXHWAZ-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCC[C@@H](O)CC1CCCCC1	1949907428	NPWPFBLRSZQOOT-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
C[C@@H](C[C@]1(CO)CCC[C@@H](C)CC1)C(C)(C)C	1950910510	HHFZUKODKCGGCP-YCPHGPKFSA-N	240.431	4.638	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CCC2CCC2)CC1	1950916778	BUOTYYXHFMWIAL-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCCC23CCCC3)C1	1963182470	LVOAUPRQBKMWPZ-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1CCCC1	1968597615	NHRJARVDLDJVBD-UHFFFAOYSA-N	231.383	4.721	0	10	BJAE	
C[C@H](CN1CCCCCC[C@H]1C)CC(C)(C)C	1970728656	WSFDFKYEJSTRMF-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](NC1CC2(CCCC2)C1)[C@H]1CC1(C)C	1972924693	NTDMLGOWLSSCIS-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CCN[C@H]1CCCC12CCCCC2	1973005020	ZPPUIXWNSJKDML-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC(C)(C)C1)C12CCC(CC1)C2	1973850573	YTELBWCRFXNRBL-HCEZTOJASA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCC(=O)[C@H]1CCCC(C)(C)C1	1978424958	NWZVYONIGJEWMK-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](NCC)C1CCCCCCCC1	1980333604	FMSCRHFKLXNRCI-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](C)CC[C@H](O)c1ccccc1Cl	1980681795	PQKUWPPGAXYFES-RISCZKNCSA-N	240.774	4.590	0	10	BJAE	
CC(C)c1csc([C@@H]2CCCCC23CC3)n1	1981840599	KWGWRRVQJPXZEP-NSHDSACASA-N	235.396	4.704	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1sc(C)cc1C	1985604354	IUGXLDXVODTLDY-ZDUSSCGKSA-N	240.412	4.615	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CCC(C)(C)C	1986966957	JPLOHAGGKYXGQQ-CQSZACIVSA-N	227.436	4.569	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@H]1CC[C@H](C)C1)C(C)(C)C	1996273017	XMJWIKWDZMVFDQ-BYNSBNAKSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)CN(C)C1CCC(C)(C)CC1	1998424479	OUSXARRXCYNEEU-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)[C@@H]1CCCC(C)(C)C1	2000052448	VTZBXKFFONEDJV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCCN1[C@H]1CCCC(C)(C)C1	2000153212	AOBWOKVMQMURDR-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CCC(CC)(CC[C@@H]1CC1(C)C)CNC(C)C	2000500082	QMOVEZPLWPODHO-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)CN(C)[C@H](C)[C@@H]1CCCC(C)(C)C1	2002976951	RSANQLRSWULKAS-RRFJBIMHSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](CCC)NC)CC1	2003069507	YYTRMJBNRIGQNF-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H](N(C)C2CCCCCCC2)C1	2003167858	POMMRFJRWYMKQG-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCCC2(CC2)C1)NCC	2003213176	CDHQICBPYVZXKT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
O=C(CC1=CCCCCC1)c1ccccc1Cl	2003672397	UJUXHXBUPJKSJH-UHFFFAOYSA-N	248.753	4.803	0	10	BJAE	
CCC(CC)[C@@H](C)NC1CCC(C)(CC)CC1	2004341131	HKIGLKLVIZOPCC-IUDNXUCKSA-N	239.447	4.760	0	10	BJAE	
C[C@@H](CCC(C)(C)C)Nc1ccc(CF)cc1	2007026612	NDLYUOMDLTYFNM-LBPRGKRZSA-N	237.362	4.783	0	10	BJAE	
CCCCC[C@@H]1CC[C@@H](C)CC[C@H]1NCCC	2009407096	KXFDCIZQQKHAQJ-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC=CCCC[C@@]1(N)C[C@@H](C)CCC1=C(C)C	2009570210	YFZZNQKEUBRRPM-GOEBONIOSA-N	235.415	4.587	0	10	BJAE	
CC=CCCC[C@@](O)(CC)CC1CCCCC1	2009596485	RKIUDYNCAUSRSU-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H](CC)CC(C)C	2009628570	NSMBTMPMIVKDST-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@H](NC)C1CCC(C)(C)CC1	2009633811	BYGDVPQUECWSTP-NFAHFFEMSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C(=O)CC12CCC(CC1)CC2)C(C)(C)C	2012805231	CTFUPPWPSWRHTQ-FUJMWEONSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)N(CC)CCC(C(C)C)C(C)C	2015389292	UEHNFJVKOWESEC-UHFFFAOYSA-N	241.463	4.815	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C[C@H](N)C1(C)CCCCCCC1	2016459549	FKRUHMGYBOEMLB-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC(=O)CC1(C(C)(F)F)CCC1	2016685296	DQKNIRKDISPHQN-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)C2(C(C)(C)C)CCC2)C1	2017132116	ZCEUORUDVVJCNQ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)C[C@H]1C[C@@H](C(C)(C)C)CCC1=O	2017461290	IGEOHFBQMXMCSB-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
CCCC1CCC(C[C@H](O)CCC(C)C)CC1	2017650967	NYJYFBKBJXPFNH-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(O)C2(C)CCC2)CC1	2017652292	FGNVNHNWKAVDQI-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@H](C)CC(C)C)CC1	2017730187	FCBUSRBISVBEBP-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC(CC(=O)CCC(C)(F)F)CC1	2017770566	IPUKCNGWSBZOQX-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2CC[C@H](C)CC2)CC=CCC1	2017772742	SKHMRAVGUCRTQP-DZKIICNBSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)C[C@@H](C)CC)CC1	2017774942	VMMQJEPONPAZMC-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(CC(=O)[C@]2(C)C[C@@H]2C)CC1	2017775819	HGHFBOIHADNGLT-WLIAPVHPSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@]1(C)NCCCC1CCCCC1	2017867019	BTMSMOVPFPMTQX-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)CC(C)(CC)CC	2019180655	DOBJFHBLCRETNP-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC1(N)CCCCCCCC1	2022562789	LOYSBUULOUYLET-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H]2CCCC(C)(C)C2)N1	2024102914	WYCWLANTDWTTFH-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CC(C)Cc1csc(C2(CC3CC3)CCC2)n1	2026529805	UIEFNYADJGBGBS-UHFFFAOYSA-N	249.423	4.563	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1cccc(C2CCC2)c1	2028227237	BBQRKODTOBFDGF-IAGOWNOFSA-N	246.394	4.670	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)[C@@H](CC(C)C)C(C)C)c1	2028235552	QPLYKEVUVZBJAX-DLBZAZTESA-N	248.410	4.655	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)c2cccc(C3CC3)c2)C1	2028557711	PUXMCYZPXKFNMK-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC=CCC1)C1(C)CC(C)(C)C1	2029110701	WWLFVWYHMDPMBZ-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N1CCCCC12CCCCC2	2032661813	OYMLRRLZUWEGIX-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2032815595	IOAOWOJVROGQMA-LJEMCRLJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CN[C@H](C=C2CCC(C(C)(C)C)CC2)C1	2033723749	QYGQSEDCZNXCGS-YSSOQSIOSA-N	249.442	4.537	0	10	BJAE	
NC1(CC2CCCCC2)CC(C2CCCCC2)C1	2033784558	QZCNPJSQJQAWFE-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)C1(C)CC(C)C1	2035586387	ABJLPUNYZZMYIX-JCCCHCCOSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC([C@@H](C[C@H]2C=CCC2)NC)CC1	2035594780	VCZASGFKBVEOPI-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)c1cccc(C2CC2)c1	2036358526	PYZPYCQCMRYOBD-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCC1([C@@H](N)c2ccc(C3CCC3)cc2)CCC1	2037087640	RMRYBHSEDHUFKF-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC(C)CCC[C@H](N)c1ccc(C2(C)CC2)cc1	2037208324	VFJVFSMMWPXMQW-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1C[C@@H](C)C1CCC1	2037226469	NKUOLXJJKKKEHA-XJKCOSOUSA-N	243.394	4.658	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@@H]1C=CCCCC1	2037271338	ARYRMMYEFYOTQN-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
N[C@@]1(C[C@@H]2C=CCCC2)CCCC12CCCCC2	2037305285	BGBKZBQIFBDSLX-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CC[C@@H]1CC=CCC1)CC1CCCCC1	2038168912	WPXYCLJJCYEFKL-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@@H]1CCC2(CC2)C1	2038568274	PDWQECKZWBTBJY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NC[C@H]1CC12CCCCC2)C1CCCC1	2039090657	DIWDXBPICYHNOK-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@@H]1CCCCC1(C)C	2039451813	COFYRKPYVNOXFL-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)CC[C@@H]3CCCC[C@H]3C2)C1	2040166584	QJJNYMNGUCWIAV-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CNCC2CCC=CCC2)CC1	2041533342	PMGMFDUJHPXRQW-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H]2CCCC23CC3)CC1	2041542638	YBVUCBIUCIQLRM-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H]2CCC=CCCC2)C1	2045308996	XRXSSVZODPEGGI-QQFBHYJXSA-N	248.410	4.908	0	10	BJAE	
CC1(C)C[C@H]1CCCNC[C@@H]1CCC=CCCC1	2045322687	GTGDOSIBFWUZFV-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H]([C@@H]1CC=CCC1)[C@@H]1CCCC(C)(C)C1	2045391734	PCBAUXLKCNZGJP-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@@H]1CCCC(C)(C)C1	2045392572	VXEMLMMBNXKSCZ-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)[C@H]1CCCC(C)(C)C1	2045537697	CPMIPGUJLXCUFH-YHUYYLMFSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCC1)C1(C)CCCCCC1	2045733777	VMASONZAVPZUBS-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@H]3C[C@H]3C2)CC1	2045844321	HGOZUSABZBBHRC-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(NCC[C@@H]2CC[C@H]3C[C@@H]23)CCC1	2049668763	CZYSRHVTRAQVOW-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC[C@@]1(C[C@H]2CCCC3(CC3)C2)CCCCCN1	2049854587	HJQJUSQWCIAVEC-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CC[C@@](N)(CC1CCC2(CC1)CC2)[C@@H]1CC1(C)C	2049859139	SOMQAXSPUMTZOL-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@H]1CC[C@]1(N)CC1CCC2(CC1)CC2	2049863591	ZWBNJUHLENHQEX-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C(=O)CC2CCC3(CC2)CC3)CCC1	2049952837	ZYTSHCRHAIYNTG-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CN(CCC1CCCC1)C1CCC2(CCC2)CC1	2051645491	MCWQCWASXVIRIY-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)=CC[C@@]1(CNCC(C)C)CCCC12CC2	2053354465	FCXHEWNUEOOMMG-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
C1CCC(CCNC[C@H]2CCCCC23CCC3)C1	2053429180	ITSCUOGYZDXYPL-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC1=C(C)[C@](O)(c2cccc(C(C)C)c2)CCC1	2055606534	DAQZGXZPTZBWJQ-KRWDZBQOSA-N	244.378	4.518	0	10	BJAE	
CCC[C@H]1NCCC12CCC1(CCCCC1)CC2	2058474532	CGXJEGDMIBJMLF-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CC[C@](CCC2(C)CC2)(CNC2CC2)C1	2059179827	FPCQPFCTCUWJRJ-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](NC)C2=CCC(C)(C)CC2)C1	2061087575	GUGCEQPIZJOMES-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@]2(N)CCC3(CCCC3)C2)CC1	2061122917	SPUUQEJCHDCEKS-YOEHRIQHSA-N	247.426	4.565	0	10	BJAE	
CCCCCC1CC(N)(CC[C@@]23CCC[C@@H]2C3)C1	2061616011	IDYCYKJOKLGWJM-JCCCHCCOSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1CC(=C2CCC2)C1	2061696073	LPSUYLYZBPYZND-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@H](C(CC)CC)C1CC(=C2CCC2)C1	2061732864	ADWIHQOSVZFKMH-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
O[C@@]1(C[C@H]2C=CCCCC2)CCCCCC12CC2	2062032698	VSFHCSNBPWWEJL-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)CC23CCC(CC2)C3)C1	2065274904	NPNHFMQHXFBEAR-JPLDOALUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2ccc(C3CCC3)cc2)N1	2066376374	SYCGNZXSSZDOQC-IRXDYDNUSA-N	243.394	4.547	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)CC12CCC(CC1)CC2	2068281347	UWPRIASHGMTZBW-HTUOJYHCSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)CC23CCC(CC2)C3)CCC1	2069280830	OZAFDQOPEFYAAW-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C1(CC2CC2)CC1	2069517109	IINPFSOZMVUZIG-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1(CC2CCC2)CC1	2070407279	FIUOPUXSAZJQRH-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(CC2(N)C[C@@H]3CCCC[C@H]3C2)CCC1	2071941316	SBDZVEKSVDZABM-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)CCC23CCCC3)CCC1	2071941459	UCLVZCDBBSQJKM-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CC[C@@H]3CCC[C@@H]3N2)CCC1	2071949118	IEYYHTRKKOUDQN-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC[C@H]1C[C@H]1C)c1ccccc1C(C)C	2072075372	GUNSSIHWDSOTMF-JKIFEVAISA-N	245.410	4.507	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)c1ccccc1C(C)(C)C	2072418506	TUANGGDYODIRFJ-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(CN)CCC23CCC3)CC1	2072803955	NJYFIACQVUEVSA-ZOBUZTSGSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCC[C@H](CN)C2)CC1	2072821617	NDUZJIZZLAUNPU-ZOBUZTSGSA-N	249.442	4.668	0	10	BJAE	
C1=C[C@@H](N2CCCC3(CCCCC3)C2)CCCC1	2075408101	MPJOKNAHANJGFS-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@@H]1C[C@@H]1C1CC1	2079339149	YVERIQDRDVEQSS-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(CC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1	2079479683	YWNXFSDFIJPCOV-BCAXMMLOSA-N	248.410	4.598	0	10	BJAE	
C1CCCC([C@H]2C[C@H]2CC[C@H]2CCCCN2)CC1	2079695934	NYCPNIRKXOVHKX-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
NC1CCC(C[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079705815	JPHMBMQJCAIOSO-LRSKPHEKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)c1ccccc1C(C)C	2079840617	DANIDDKSDPDJQC-KGLIPLIRSA-N	244.378	4.819	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)CC1CC2(CCC2)C1	2079842553	ONKRRBFZCSKRMP-HIFRSBDPSA-N	248.410	4.598	0	10	BJAE	
CCCNCC1([C@@H]2C=CCC2)CCCCCCC1	2081681703	DFAPIMSJGWOABT-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCC(CC)CNc1cc(C)c(Cl)cc1F	2210737301	NRDNRGCKGPXALI-UHFFFAOYSA-N	243.753	4.636	0	10	BJAE	
CCCC[C@H](CC)CC1(O)CC(CC2CC2)C1	2213388216	OFSISDSKXWXUQX-JEYLPNPQSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCCN(C)CCCCCCC1CC1	2213531472	LKIKLUSLCJRZIZ-ONEGZZNKSA-N	237.431	4.635	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@H](O)CCCCCCC1CC1	2213575352	FGRHQPWLFNNPKJ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCC1CC(F)C1	2215040996	QSRQXYRAETYRPW-MOKVOYLWSA-N	242.378	4.546	0	10	BJAE	
CC1=CC[C@](C)([C@@H](O)CC(C)(C)C(C)C)CC1	2215811776	FHNUVBODNBACCV-HOCLYGCPSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](C)C[C@]1(CN[C@@H](C)CC)CC1(C)C	2217134639	DEJTWQMUMSBFHA-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CN[C@@H](C)CC)CC1(C)CCCC1	2217149853	KRXUQIJNWYEQHV-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CCCC(C)C)C=CCC1	2217154797	XJAZIKFUBJAIQD-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1CC[C@H]2CCCC[C@H]2C1	2218019219	SXFZQGUKZGGTMP-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218336257	BEBWGIZAMBPAIM-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)C[C@H]2CCCC[C@@H]21	2218729318	YUIGIBKJGWDONM-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C/C=C/c1ccccc1	2219060856	AXSWJTYXNFXXTD-FMUPAYBXSA-N	246.394	4.667	0	10	BJAE	
C(=Cc1ccccc1)C[C@@H]1C[C@@H]1c1ccccc1	2219078340	MJWRBWFRGPUEES-QZTJIDSGSA-N	234.342	4.894	0	10	BJAE	
CCCCCC[C@@](C)(N)C/C=C/c1ccccc1	2219088181	OJLFUQDYRFIGOQ-JIIJFUIFSA-N	245.410	4.778	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@H]1CCCC12CCC2	2220030171	JONFBBCETLCOJN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)c1ccc(C(C)C)cc1	2220879549	VMIPEWLXEMCZDN-XYPHTWIQSA-N	245.410	4.636	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CC[C@H](C)C2)C=CCCC1	2223555000	ZAWYUMQMOZXGJB-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(Cl)ccc1-c1cc(=S)cc[nH]1	2243672272	MBZUSCLTZPRABK-UHFFFAOYSA-N	249.766	4.627	0	10	BJAE	
CCCC(=O)CCC[C@H](C)CCCC(C)C	2244844400	ZSVFWBWJRGBNEE-CQSZACIVSA-N	226.404	4.988	0	10	BJAE	
CCC[C@H](CCC[C@@H]1CCCCC12CC2)NC	2246628292	XEIRNKULVFRRDY-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC[C@](O)(CC[C@@H]2CCC[C@@H](C)C2)C1	2246690810	FQEIYCDVSBTYEY-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](O)C2(C)CCCC2)C1	2246723848	BUAIBFLVBPQEKV-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](CCCC[C@H]1C[C@@H]1C)NC	2247174008	UYIDYDQIJNLUOC-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C[C@@H](O)C[C@@H]1CCC1(C)C)C(C)(C)C	2247418751	VQZNFCWIDSXGAN-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CCCCC(C)(C)NCCCCC[C@H]1C[C@@H]1C	2248865930	MMRYSSBOCMPKOS-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1(C(C)(C)C)CCC1	2250359560	SJXBGKXFIVBIPJ-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cccc2sccc12	2250368724	DJOHLEFKJPUIJO-ABAIWWIYSA-N	248.391	4.761	0	10	BJAE	
CCC[C@@H](CC)CNC(C(C)(C)C)C(C)(C)C	2250391750	XUOKWFFJSVTRPL-CYBMUJFWSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(N)[C@H]1C[C@H]1C	2250474728	ILUFUIULDISOLG-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC(=O)[C@H]1C	2250484787	HSASKQDSXSVXAC-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(C)(C)CC(=O)O	2250494610	CKWCFDJVRJAWPL-CYBMUJFWSA-N	242.403	4.730	0	10	BJAE	
CC[C@H](C)CCNCC[C@@H](C)CCCC(C)C	2250528818	OFAMGGADQWNNPW-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC(C)(C)[C@H]1NCCC	2251702466	RSAMEGIMJMKTCM-ZWXLGZMVSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](O)(CC)c1ccc2ccsc2c1	2253084289	ZJOVAGOITZKWEK-OAHLLOKOSA-N	248.391	4.689	0	10	BJAE	
CCC[C@@]1(CC[C@@H]2CCCCC23CC3)CCCN1	2253879920	HESZFWYZIVYKFJ-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@H](N)CCC12CC3CC(CC(C3)C1)C2	2254020404	KXKQPFXRLRARAL-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@](N)(C[C@@H]1CCC12CCC2)C1CC1	2255020156	XKQBYJNPMFDFDK-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CC1(N)C[C@H]2CCCCC[C@@H]2C1	2255022683	FXZUMLMLMDEDLP-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)CC1=CCCCC1	2255093607	ZSLNMDLPEHWPGD-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC(C)(C)c1ccccc1OCC1=CCCCC1	2255184688	KYHNIEJGHSYPKO-UHFFFAOYSA-N	244.378	4.863	0	10	BJAE	
CCCc1ccc([C@@H](O)CC(C)(C)C(C)C)cc1	2256316538	CWUXWXCWSMFNMR-INIZCTEOSA-N	248.410	4.745	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)C[C@H]2CCC[C@H]1C2	2257316545	RSEJTSZGRCQRSC-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cccc(C(C)(C)C)c1	2257908069	NNHRQLFWDSFCDC-XJKSGUPXSA-N	245.410	4.975	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H]2C(C)C)cc(C)c1C	2258235195	GKEUKMNULUVIJA-IAGOWNOFSA-N	245.410	4.848	0	10	BJAE	
Cc1cc(N[C@H](C2CCC2)C2CC2)cc(C)c1C	2258240641	SROKGHWZBQRDPK-QGZVFWFLSA-N	243.394	4.602	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@@]12CCCC[C@H]1CC2	2260578008	JFMNDOKJHQIKAJ-RDJZCZTQSA-N	246.394	4.807	0	10	BJAE	
CCCC1(NC[C@]23CCCC[C@@H]2CC3)CCCC1	2260587293	MERIPSFIKGAMFJ-HZPDHXFCSA-N	249.442	4.659	0	10	BJAE	
CCNCC1(C[C@]23CCC[C@H]2CC3)CCCCC1	2260651676	MNSAMGFKLUNVFJ-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@@]12CCC[C@@H]1CC2	2298708110	JCARLUDOJOTEFB-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](O)C(CC1CC1)CC1CC1	2298922910	MXCADKCSULMQRQ-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@H]1CCC2(CC2)C1	2300471169	GYIGIPLLDGRDAI-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCCCC[C@@H]1NC	2300687046	XLGGFILYFQAWNP-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC(C)=CCC1(CNC)CCCCCCC1	2300870342	STQAEPDGYVOMJM-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCC[C@H](C)C[C@H](CCC[C@@H]1C[C@@H]1C)NCC	2302620378	POZXEXJNCOUEOH-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC[C@H]1CCC(C)=C(C)C1)C(C)C	2303574572	AHUOUHBUGQMAJJ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](O)CCC(C)(C)C)CC1	2303595971	ZOMCXYIGZFMITN-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc([C@H]3C[C@H]3C)cs2)CC1	2307684864	VORBCXYPAAZYCT-NDBYEHHHSA-N	249.423	4.950	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2nc([C@@H]3C[C@H]3C)cs2)C1	2307687642	KHODJYKZLHQOKW-FVCCEPFGSA-N	249.423	4.950	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@](N)(C1=CCCCCC1)C2	2308414059	SBUACSHUVLPSHS-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H](N[C@H]1CCC[C@@H]2CC[C@H]12)C1CCCC1	2309524486	FUUWHYSLGDWKPA-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)[C@@H]2C[C@H]2C2CCC2)C1	2312670246	MKVRMXICENXAJA-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@]23CCC[C@@H]2CC3)CC1	2313316695	KYMVZQLAOXIIEW-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)C1(N)CCC(C2CCC2)CC1	2313607982	HLFLTTNRLNZMBT-IGEOTXOUSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)c1ccc(C2CC2)cc1	2313612644	OXXSYKYUPXGJDK-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CC(=CCNC1CCC=CCC1)CCCC(C)C	2316498847	HFPFMHMPVLBWRW-UHFFFAOYSA-N	249.442	4.847	0	10	BJAE	
CC(=CC[C@H]1CCC(C)=C[C@@H]1N)CCCC(C)C	2316536766	OBTQMJYIBGUVMV-IRXDYDNUSA-N	249.442	4.833	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)c1c(C)coc1C	2316880683	KYNXAWDVJKTAAN-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
Cc1cccc(C(=O)CCC2CCCCCC2)c1	2316882567	AHEDLLRLSGNBGC-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)C[C@H]2CCCC[C@@H]21	2318557829	OSWIQTLFHKXSPC-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
CNC[C@H]1CCCC[C@@H]1CCCC1=CCCCC1	2318591857	CMTKJYAFRCLFKJ-IAGOWNOFSA-N	249.442	4.683	0	10	BJAE	
CC1=C(C)C[C@@H](CNCCCC2CCCC2)CC1	2320411048	HVLMPYJBVNHYHH-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)C(C)(C)C2CCC2)CC1	2320422852	JEEFXCHZHAUBNR-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
C1CCCC(CN[C@@H](CC2CC2)C2CC2)CCC1	2320513482	JNJBLAXPSZWRSS-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(C[C@@H]2CCCCCC2=O)c1	2320664192	JQTCKIWOZZGFTA-INIZCTEOSA-N	244.378	4.502	0	10	BJAE	
CC1(C)CC[C@@H](CCN[C@H]2CCC23CCCC3)C1	2321612422	AYHOZLQWUASDRD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN(CC[C@H]1CCC(C)(C)C1)C1CCC=CCC1	2321634187	PITVHULHAVEKSH-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C[C@]12C[C@H](CCN1)C2	2326630994	RCYYUOJGRSZGQU-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(NC[C@]23CCC[C@@H]2C3)c1F	2327781269	QDXFCBKQNRYUPL-MLGOLLRUSA-N	247.357	4.551	0	10	BJAE	
CCCCCCc1ccc([C@H](N)C(C)(C)C)cc1	2327896141	LSVVZCRHDQMWTP-INIZCTEOSA-N	247.426	4.855	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)C[C@H](C)c2ccccc21	2328210063	OBOSKNMGGFFCMH-GRDNDAEWSA-N	246.394	4.598	0	10	BJAE	
CCCCC[C@@H](N)c1c(C)c(C)cc(C)c1C	20481312	QOUYLGKBBBVXDR-OAHLLOKOSA-N	233.399	4.500	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCCC[C@H]1C	20553672	BIGOQFJFFTWHDP-HIFRSBDPSA-N	231.383	4.801	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c1	21813041	LSRYAAWAMYNPIV-OIISXLGYSA-N	245.410	4.868	0	10	BJAE	
CCCN[C@@H](c1cc(C)ccc1C)C1CCCC1	35581692	BWUDTLIJBAWWBU-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)c1ccccc1	37763723	SVXQFTJNGMJGGS-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
CCCC[C@H](CC)Nc1cc(F)ccc1C	68985590	WLCOKUYNEYVZFD-ZDUSSCGKSA-N	223.335	4.515	0	10	BJAE	
CCCCC[C@H](C)NCCC1CCCCC1	71104310	SOJOMYBRMQTDPT-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)c2cc(C)ccc2C)C1	71153839	IXIRJNRFGGUPDP-VYDXJSESSA-N	246.394	4.553	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H]1CCCC(C)(C)CC1	86909381	WVNJVFXFXPMVBM-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCC(C)(C)C1	87773232	MXESKFUKEWYSJU-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC(C)C1CCC(C(=O)CC2CCCC2)CC1	87959832	ROGZVSRVDDWWBE-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCCCC2(C)C)c1	94274146	ILNXAARTADPFTC-OAHLLOKOSA-N	231.383	4.684	0	10	BJAE	
CC1=CCC[C@]2(C)CC[C@@H]3C(C)(C)C[C@@]132	95914189	WHXUZXDWQKUIJL-BPLDGKMQSA-N	204.357	4.559	0	10	BJAE	endogenous,in-man
CCCCCC[C@H](Cc1ccccc1)NCCC	109721539	GAMMBSFHOBKOIQ-QGZVFWFLSA-N	247.426	4.568	0	10	BJAE	
CCCC[C@H](C)NCc1ccc2ccccc2c1	109946770	WNVBINUHDOBQEZ-AWEZNQCLSA-N	241.378	4.508	0	10	BJAE	
CCCC[C@H](CC)CNc1c(C)cccc1C	110168185	IASJRQDWZUUIGD-HNNXBMFYSA-N	233.399	4.932	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](c1ccccc1)C1CC1	111663948	ZVGWWSAUGPDZAE-GUYCJALGSA-N	245.410	4.552	0	10	BJAE	
C=CCCCCCCCc1ccccc1	115371437	DLRNIVQAHIKOPD-UHFFFAOYSA-N	202.341	4.756	0	10	BJAE	
CCCCCC[C@H](NC)c1ccc(CC)s1	133704885	NNYQEKFMSDNLHP-ZDUSSCGKSA-N	239.428	4.541	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)C(C)(C)C	166181448	XUUTZIGMVLBKKK-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](C1CCCCC1)C1(CC)CCCC1	167104079	MYSZVUHFPPBJQK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](C)CC[C@@H]1NC	217630893	DSKQHDUBSYPXCJ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC(C)C)[C@@H](CCC)C1	219505793	KIMNGODFWPSMKI-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)c(C)c1	220562045	YLPIEAPVABRACJ-KCQAQPDRSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)CCC(C)C	225981052	LOKSYEMLBFIXPD-HUUCEWRRSA-N	227.436	4.760	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@@H](C)C2)cc1	227190526	FSLFBYVWGAFACH-DVOMOZLQSA-N	231.383	4.801	0	10	BJAE	
CCCCCC(=O)c1ccc(SCC)cc1	232931515	TZYHUFOJARKGLF-UHFFFAOYSA-N	236.380	4.562	0	10	BJAE	
Cc1cc([C@H](C)NCC2(C)CCCCC2)c(C)o1	235525657	UZYBDJJCKDOZQG-ZDUSSCGKSA-N	249.398	4.517	0	10	BJAE	
CC(C)c1nc2c(Cl)ccc(Cl)c2s1	238166476	SNZPWUSMXWLPDI-UHFFFAOYSA-N	246.162	4.727	0	10	BJAE	
Fc1ccc(Sc2ccccc2)c(Cl)c1	238587093	XKVJJKVDCOEEIB-UHFFFAOYSA-N	238.714	4.630	0	10	BJAE	
CCCCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O	250810351	HFTHQCIQBWJGFB-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@H](C)CNC(C)(C)C	251561990	BNTBIQGPLFBDPP-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
c1cc(NCC2CCCCCCC2)cs1	300832052	HTIPQABKPKCFQD-UHFFFAOYSA-N	223.385	4.521	0	10	BJAE	
CC(C)C[C@H](C)CNc1ccc(F)c(Cl)c1	300871773	HRSOEZKXPBIGKF-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1CCC1CCCCC1	302282403	VCUWMNHWRANRGI-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)Cc1ccc(C(C)C)cc1	302296236	DJZSXBZOCQUUCU-RHSMWYFYSA-N	248.410	4.540	0	10	BJAE	
CC(C)CCCCN[C@@H](CCC(C)C)C1CC1	302485103	IAIYGQMNMWVDAG-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1cccc2ccccc12	305926153	IVIIQFKOIZXGFV-CXAGYDPISA-N	242.362	4.555	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@H]1C[C@H]2CC[C@H]1C2	306059905	WQVBQVPRBGVRGD-QRTARXTBSA-N	244.378	4.686	0	10	BJAE	
CC1(CC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1	310822983	KCSCGTPQAAFMRO-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@H](O)[C@H](C)C2CCCCC2)c(C)c1	311236711	WPMONDATTNZXGE-RHSMWYFYSA-N	246.394	4.553	0	10	BJAE	
C[C@H](C[C@]1(C)CCC[C@@]1(C)O)C1CCCCC1	313103855	HZVJJPHJBTUQMP-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)C)CC[C@@H](CC)C1	317091760	AJOVGBUQYDTTBZ-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC[C@H](C)[C@H](C)CC)C(C)(C)C	319418700	BFOAVPHPUXFVEX-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@H](C)[C@H](C)CC	319612912	MKCQYBLETRFFER-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)CNC[C@H](C)C(C)(C)C	380155833	SYKGIIKHTGIWEW-AWEZNQCLSA-N	241.463	4.865	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC2CCC1CC2	381993150	KUDKWGGPMJHHOV-AVVWSFFYSA-N	243.394	4.548	0	10	BJAE	
CCC(C)(C)c1csc(-c2ccccc2C)n1	384036482	UJTRDOVZKKTYIF-UHFFFAOYSA-N	245.391	4.806	0	10	BJAE	
CC(C)CNC[C@H]1CC[C@@H]1CCC1=CCCCC1	385019596	ZNXNIWHGXHDPFV-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(F)cc1NC(C1CCC1)C1CCC1	385040902	KHEACWQIUNICGN-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCC[C@@H](Nc1cccc2ccsc12)C1CC1	386201915	FFTMEJOUKHRQQE-CYBMUJFWSA-N	245.391	4.892	0	10	BJAE	
C[C@@H](CC[C@@H](O)c1ccccc1)C1CCCCC1	386447247	DDZJWMIZWPIDOK-WMLDXEAASA-N	246.394	4.717	0	10	BJAE	
CCC[C@@](O)(CC1CCCCC1)C(C)(C)C	395404037	BESJXCUMVPZOER-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)c1ccc(C(C)C)cc1	395573058	ODBJRLDEOCICET-JKSUJKDBSA-N	244.378	4.675	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)c1cccc(C)c1	398654675	MGLXXIPAIVMPJJ-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCC1CCC([C@@H](O)CCC2CCC2)CC1	398746410	UVSXRHTYHQQZMF-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC(C)Cc1ccc([C@H](O)[C@@H](C)C(C)(C)C)cc1	399115687	DFARLKARELUDCE-CZUORRHYSA-N	248.410	4.601	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1ccc(C)cc1F	401860777	YZXDNCKQOOHCDM-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CCNCC1(C[C@H]2CC=CCC2)CCC(C)CC1	402184215	FDCPLRVLQYYSOY-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CCCC1CCC1	688361565	UWWSOTSHKFHSLM-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)CNc1c(CC)cc(C)cc1CC	690189384	PJQOVRXKGMWKIB-ZDUSSCGKSA-N	247.426	4.968	0	10	BJAE	
CC(C)(C)c1cccc([C@@H](O)CC2=CCCC2)c1	691724119	PGOYCJZXIHAIGP-INIZCTEOSA-N	244.378	4.518	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@H](C)C1CCC1	692814021	SIGNUUNAOOUFEC-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(N[C@H]2CCC23CCCC3)cc1C	694350463	LNPYAISTLGASKO-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
C[C@H](NC[C@H]1CCCC2(CC2)C1)C1CCCCC1	695692381	VUSZSDKRHQXRRA-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@@H]1CCCC2(CC2)C1	695984808	NHXPGUHPWHUNSD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H]1C[C@@H](C(C)C)CCC1=O	696741144	STRGJUFYVSBUNY-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCCc1ccccc1NC1C[C@H]2CC[C@H](C1)C2	697726467	YOCNDFALQJWQSY-KBPBESRZSA-N	243.394	4.630	0	10	BJAE	
CCCCCC[C@H](NCCC)C(C)(C)C(F)F	698493907	IQZMOROSCVBZHW-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)C[C@H](N)[C@@]1(C)CC[C@H](C)C1(C)C	699049909	JQBRWMHUOMRFNJ-DUVNUKRYSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)C(=O)c1cc2cc(C)ccc2o1	701342913	DNJWSQXIZJIBMF-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
CCCCCC[C@@](N)(CCC)C1CCCC1	704951703	NZNXRRXYJQJITQ-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H](CC)C(C)(C)C	711182694	ZIUQBWAXZHREMU-UONOGXRCSA-N	228.420	4.780	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)CC[C@H]2C)cc1C	713056479	DUKQMZOKOMFLLL-CZUORRHYSA-N	245.410	4.930	0	10	BJAE	
CCC(C)(C)C[C@H]1C[C@@H](C)Nc2ccccc21	713131107	FMHNCIPPDQPZON-CHWSQXEVSA-N	231.383	4.801	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CC(C)(C)C(C)C)C1	713150222	PLDRGVWKTWSRRZ-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)CCc1cccc2c1NCCC2	713175663	SBQJKZWTLHPTGR-UHFFFAOYSA-N	245.410	4.660	0	10	BJAE	
CCCC1CCC([C@@H](O)CC(C)(C)CC)CC1	713190399	WWJORGQVIIIAGX-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cc(Cl)ccc1C	713200270	OQZLKFCMAXPXSD-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cccc(C(C)(C)C)c1	713215479	AHNJCCQFPUYOAZ-HNNXBMFYSA-N	248.410	4.844	0	10	BJAE	
CCC(C)(C)CC(N)(CC(C)C)CC(C)C	713249590	RTSRSNSAXYQMEN-UHFFFAOYSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)CC(C)(C)C	713267317	ZNOSXUFBSXUVNO-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C=C/C=C/CC[C@]1(CNCC(C)C)CCC[C@H]1C	713745100	JXYZJXCKZFOWOZ-KGVXHEBISA-N	249.442	4.561	0	10	BJAE	
C=C/C=C/CC[C@]1(CNCC(C)C)CC[C@@H](C)C1	713748947	SSEKKQITWHZBHK-NGHLMZTLSA-N	249.442	4.561	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CC[C@@H]2CCCC[C@@H]21	714304934	QZGLKXCJOZVUMT-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@](N)(CC)CC1CCCCC1	720357234	GGQLTEBXKXJRPZ-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC1CCCCC1	720976184	CUSBGQAGOBOFNX-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCCNC(C1CCCC1)C1CCCC1	1654865995	DTWYDUWXLXJZPQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)c1csc(C(F)(F)F)c1	1889470766	ZLFVMROWPOGFTJ-UHFFFAOYSA-N	222.275	4.671	0	10	BJAE	
CCCc1ccc([C@@H](O)[C@@H](CC)CCC)s1	1900675280	FGKKVYMLAJWKDZ-FZMZJTMJSA-N	240.412	4.560	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1cccc(F)c1Cl	1901719965	IDTWDOJGUSIFAP-UWVGGRQHSA-N	243.753	4.572	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)c1cc(C)cs1	1905441658	AFUAVXSNNBGEOM-STQMWFEESA-N	239.428	4.533	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@H]1CCCC(C)(C)C1	1908545531	SYQJZNNAFPAULF-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CCC[C@@H]1C[C@H]1C)CNC(C)C	1908552652	RFYQUPXZAIZMSN-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCF)[C@H](CCC)CC(C)C	1913286041	DJNHKJIDAHEQIJ-HUUCEWRRSA-N	245.426	4.567	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CCC2(CCCC2)C1	1916426111	GUUUDJDKLAVAFH-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)NC[C@@]1(CCC(C)(C)C)C=CCCC1	1916582151	ZGQLOACQQSTTMR-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)[C@H]1CCCC12CCC2	1921595093	LQVKGPQKZLXUTP-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)Cn1ccnc1C1CCCCC1	1923599964	WHCXWMSHXHXJPK-UHFFFAOYSA-N	248.414	4.613	0	10	BJAE	
CCC(C)(C)C[C@](C)(CNC)C1CCCCC1	1924147877	HDGSWYATGNUVMF-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](C)[C@H](CC1(C)CCCCC1)C(C)C	1940416209	QAISKVVDDTZPQK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)CC1(C)CCCCC1	1940417646	XUMPQGYXRDMYML-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@H](C[C@@H](C)C1CC1)NCCC	1940720802	IUIIKTNYAOXPGQ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CCCCCC2CC2)C1	1941582563	XTIGYONBDRKLFS-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)[C@@H](C)CCC(C)C	1942653966	WIGPKPKYYYSDAO-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@]1(O)CC(C)(C)CC2(CC2)C1	1943082841	YCKWPCUGAVYBEE-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)C(=O)CC1[C@@H]2CCCC[C@@H]12	1945052544	HXIXHCPTKIDWGD-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)c1csc(C2C[C@H]3CC[C@H](C2)C3)n1	1945331439	XYNCQXLMCYEUFR-QWRGUYRKSA-N	249.423	4.734	0	10	BJAE	
CCCC[C@@H](C)NC1CC(C2CCCCC2)C1	1945993607	AIRMJCMUIPPYHL-IUDNXUCKSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCS[C@@H](C)C1	1946365988	ZQEIWVNMMYWSCF-STQMWFEESA-N	249.423	4.506	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(O)CCCCCCC1	1947547745	SHEVPBDYPSRAPG-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCCCCC(C)(C)CNC[C@H]1C=CCCC1	1947581402	LUEUGEAFFOODCX-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CC(C)CC[C@](C)(O)[C@H]1CCC2(CCCC2)C1	1949454774	ZLTHYVQSWKXUMO-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@H]1CC[C@H](C)C1	1949502036	RPCTXFKOBZIPQP-WFASDCNBSA-N	232.367	4.686	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC1CC2(CCC2)C1	1949841093	ALPUBKQRAVFBRA-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(F)(F)CCCC[C@H](O)CC1CCCCC1	1949915258	ZDBHQRZZFSFFKD-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC(C)(C)NCCCC[C@H]1CC12CCCCC2	1950663625	ANVFWBOBEPCVEX-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CCC[C@H](C)CC1	1950925114	QIYPLOGFBUQJNI-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)[C@H]2CCC[C@@H](C)CC2)C1	1950929630	INSREPNGICQLDU-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
C1CCC2(CC1)CCN(CCCCC1CC1)CC2	1962785901	MUPWIJVHECWTLP-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
C[C@@H]1C[C@H](NC2CCC3(CCCCC3)CC2)[C@@H]1C	1964581982	YNPNBOYIHJOACN-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CN1CCC12CCCCC2)C1CCCCC1	1969770309	YXGOKJZMQWSNFM-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CCCC2(CCC2)C1	1970505642	SSDKPHKEWIPNAP-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC1(C)C[C@@H]1CCN[C@H]1CCCCC12CCCC2	1970801234	GWUMGHZIXJCJAT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](n2cccc2)CC1	1976403854	YBDGOCJCAHPEFV-KGLIPLIRSA-N	219.372	4.656	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cc(C(F)F)cs1	1977079870	YXEUVVGTVZHQIA-KWQFWETISA-N	247.354	4.512	0	10	BJAE	
CC(C)CCC[C@H]1CCCCCCC[C@@H]1O	1980352944	WSLYTVYQEZGYAM-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC[C@H](CC)N1	1987090110	KYYVLKHHYMAHFA-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@H](N)CC1CCC(CCC)CC1	1989814896	SVLGOYPRAAOFOR-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCC[C@@H]1C	1990093088	HJLJMXVYUYTKTD-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@@H](C)CCC	1995260377	VPICHRXLZLCFMK-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H]1CCCCN(C[C@@H](C)C(C)(C)C)C1	1995748630	QOGCTEUONRGGHN-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CC1(N[C@@H]2C=CCCCCC2)CCCCCC1	1995827474	VBXSGWOIBZMZCJ-OAHLLOKOSA-N	235.415	4.578	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(N)C1(C)CCCCC1	1995985213	HNEPKNYYCGPYLJ-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@](C)(N)C1(C)CCCCC1	1995986424	FFGDNVMJIVRCPM-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2CC[C@H](C)C2)CC1	1996236046	DOUIXYFVMARRDX-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2CC[C@@H](C)C2)CC1	1996236048	DOUIXYFVMARRDX-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCC=CCN[C@@H](C)C1CCC(C)(C)CC1	1996546489	KRLKSDHHXUINLT-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)N[C@H](C)C1CCC(C)(C)CC1	1996552289	LANSNZYPGBYKEN-UONOGXRCSA-N	239.447	4.616	0	10	BJAE	
CCCC(C)(C)[C@H](NC)C1=CCCCCCC1	1996610760	MBOIKPDIWYZKIQ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)C(C)(CC)CC)CC1	1997104207	JJIDSKDKVKZTME-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CC(C)C1(C(=O)CC2CCC=CCC2)CCC1	2000194872	JJBXDCNJQOLING-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@](CC)(CNCC(C)C)CC1CC1	2000498566	AKSBAZPWVVDUCJ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)CC1(C)CCC1	2000505367	QFUOSCGBSDMFRP-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CNC)C[C@H](C)CC(C)(C)C	2000510326	OKNSZOMDVPUWQJ-GDBMZVCRSA-N	241.463	4.865	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CC23CCCCC3)s1	2001256556	XHTXDMJVLPYNDI-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
Clc1cccc(NC[C@H]2[C@H]3CCCCC[C@H]32)c1	2002205045	IXFYFSPBOOPNQF-QDMKHBRRSA-N	249.785	4.578	0	10	BJAE	
CCCCC[C@@](C)(N)C1CCC(CCC)CC1	2002924162	FUPPUNMMFVTMEF-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
CN[C@@H]1CCCCCC[C@@H]1CC(C)(C)C(C)C	2003096713	ZNJBPCAMLLNHDR-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@H](C)CC(C)C)c1	2003645064	FZHBVNJGCRFUNX-CQSZACIVSA-N	232.367	4.640	0	10	BJAE	
CC(C)(C)CCCCC(=O)c1cccc(F)c1	2003676813	DGCRPXIAFVLRIH-UHFFFAOYSA-N	236.330	4.615	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1C[C@@H](NC)C[C@H](C)C1	2006621555	UIFDUXXBUNAOPG-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@@H]1CCCC[C@@H]1F	2006739862	CJDAWLYLPACNGO-MCIONIFRSA-N	242.378	4.546	0	10	BJAE	
CC[C@H](N[C@H]1C=CCCC1(C)C)c1ccsc1	2006915872	YGOQUOIKOPDCDC-KBPBESRZSA-N	249.423	4.534	0	10	BJAE	
CCC1CC(CC(=O)C(C)(C)C2CCCC2)C1	2007765377	IEAOFFCEJPSZSQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)C[C@@H](C)C(F)F	2008583774	VOWWQWPGTADMMI-DYEKYZERSA-N	249.389	4.602	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CCCC(C)(C)C)[C@H]1CC	2009228242	JLERLQOUWCSGGW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(Nc2cccc3ccsc23)C1	2009303383	GRUAXHZSTIXNPD-UHFFFAOYSA-N	245.391	4.892	0	10	BJAE	
CC1(C)CC[C@@H](O)[C@@H](CC2CCCCC2)CC1	2009408593	VFVZWZGEHHJYLX-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCCCC[C@H]1C(C)C	2009571147	GYSGMGVEOMWCEI-SWJNODNISA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCC[C@H](CC(C)C)C1	2009572182	LDHLRWFNPILMKG-FZZYSBJUSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC)CCC[C@@H](CC)C1	2009630253	VESFWJOHHDPELS-RKIWFNSJSA-N	237.431	4.539	0	10	BJAE	
CCCCCC1CC(O)(C[C@H]2CC[C@H](C)C2)C1	2009718773	CDKZFFYJKQYFGK-FXQLRMTLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C1=CC[C@@H](C)CC1	2010623889	JOLJFSRULCOQKO-FVQBIDKESA-N	237.431	4.523	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@H](CC)CCCC	2010995580	RBDDBSZTKGQECD-HZPDHXFCSA-N	237.431	4.692	0	10	BJAE	
CC(C)c1ccccc1OCCC[C@H]1C[C@H]1C	2011567382	BHOOIUKDWCBZKR-KGLIPLIRSA-N	232.367	4.625	0	10	BJAE	
CC[C@](CC=C(C)C)(CNC(C)(C)C)C(C)C	2012440000	MDUXBIJTWIBSHJ-INIZCTEOSA-N	239.447	4.783	0	10	BJAE	
CCC1CC(CN(C)[C@H](CC)CCC(C)C)C1	2013304371	RXJXSLOFBQROJB-UYSNPLJNSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)C1(C)CCCC1	2014326914	SYPJVIRATQEXSF-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
C[C@H](NCCC1CCCCC1)C1(C)CCCC1	2014336848	AVNLSJZOQVNUKU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C[C@@]1(C)C[C@H]1C	2016311040	BZEGSEVXJDJGLQ-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(CC[C@@H](O)CC2CCCC2)CCC1	2017120270	ATLHKWOBGBADHS-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC(C)C)CC1(C(C)(C)C)CCC1	2017139006	QHMDXTWUACVTCD-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H]1CC[C@H](C)CC1	2017723067	IPKJTCNTJQYZBZ-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@H](C)CNC(C)C)CC1	2017730812	LDPWIJHINUCPCI-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@H]2CCCCCC2=O)CC1	2017775844	HPSIFZMFNQTFKO-YMAMQOFZSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC1(CCC)CC1	2018941209	PNXZOYCISWTCMR-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCCCCN(C(C)C)[C@H]1C=CCCCCC1	2019117389	IVODAFCAAZUWMX-INIZCTEOSA-N	237.431	4.776	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@H]1CCC[C@H](C)C1	2019174351	MNRSMKQMIMQSNJ-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCCN(C)[C@H]1CCC(C)(C)C1	2019342049	HXCKWATWTIAFJQ-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCC1CCC(CN(C)[C@H](C)[C@H](C)CC)CC1	2019387592	WDQVKNDZFMEHPK-WXLSXGNJSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(CC[C@H]1CCC[C@@H](C)C1=O)C(C)C	2024004977	UOFIRKWKCOQDNR-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@@H](O)c1ccccc1C1(C)CC1	2028554402	JOOFDRXVGCEOGL-MRXNPFEDSA-N	246.394	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)c1ccccc1C1CC1	2028576672	QWKOZAWFNPWYQK-OCCSQVGLSA-N	242.362	4.573	0	10	BJAE	
C[C@H](C[C@H](N)[C@]12CCCC[C@@H]1CCC2)C1CCC1	2031757745	IKFSIJFJMGDNAH-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@@H]1C[C@H]1C=CCCC1	2035599312	MOELPKOZQCKBDO-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC[C@H](N[C@H](C)[C@H](C)CC(C)C)c1ccccc1	2036383963	QEGMRLABDSZBFQ-INMHGKMJSA-N	247.426	4.798	0	10	BJAE	
CC(C)(CCC1(N)C[C@@H]2CCCC[C@H]2C1)C1CC1	2037157752	MOWGLVCUIMUBLQ-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](CC2CC3(CCC3)C2)NCC)CC1	2038090139	OBFHXDOBKVOKMM-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(F)c1NC[C@H]1CC12CCCCC2	2039050583	JBPOMAOVRXBYNC-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
C[C@H](NC[C@@H]1CCCC(C)(C)CC1)c1ccoc1	2039374355	GULQKBDDSYOPFD-UONOGXRCSA-N	249.398	4.537	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)C2(CC)CCC2)cc1	2039719612	JGGUQXLILVWDTN-CJNGLKHVSA-N	245.410	4.780	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)C1(CC)CCC1	2039726853	PDZKNASEFGPBBR-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC12CC2)C1CCC(C)(C)CC1	2040647290	LITFKZPSLUHJAY-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]([C@@H]1CC=CCC1)[C@H]1CCCC[C@@H]1C	2042015552	BDLUVZZGUUNSBX-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
O[C@H](CCC1CCC1)c1ccc(C2CCC2)cc1	2042747692	PZLXAWQOYFBUQT-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C[C@@H]1C=CCCC1	2042748637	YWLHTWNNLSICCJ-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CC[C@@H]2C[C@H]2C1	2045571319	SYDOSQVMHHCRSZ-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](NCC)c1ccc([C@H]2C[C@@H]2C)o1	2045763013	FLBAOMMZTOJMLZ-IHRRRGAJSA-N	249.398	4.634	0	10	BJAE	
CCC1(CNC2CC3(CCCCCC3)C2)CCC1	2046229945	KFACLIKCUBYRKI-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@@](N)(C[C@H]1CC12CCCC2)C1CCCCC1	2047055345	JZZZOSDWWUVDMI-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@H]1CCC12CCC2	2047931906	IZASHPYGEVUCPL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(C)CC1)[C@]12CCCC[C@H]1CCC2	2048876816	JRYQNRSPMYJVOA-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
NC1(CC2CCC3(CC2)CC3)CCCCCCC1	2049846146	QHFHJZSTYITLGQ-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CN[C@@H](CC1CCC(C)CC1)[C@@]1(C)C=CCCC1	2049997765	PZXRVLOOBNUDCJ-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC(C)(CC)CC)c1cccc(C)c1	2050451731	XIZYRLSIFIRZOY-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@@H](CC)c1ccccc1	2051409705	TXTSZOOQABKXMT-IRXDYDNUSA-N	245.410	4.515	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H]2CCCC3(CCC3)C2)CCC1	2055541891	UBRDJUWDPXNSCB-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC(C)C1CC(C[C@H]2CCNc3ccccc32)C1	2056645473	MDRUVNJLFYBLOY-SHARSMKWSA-N	243.394	4.658	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H]1C[C@H]1CC(C)C	2056875114	CVWPSWWGPKTAMC-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)C1(C)CC(C)(C)C1	2056875936	LRVIQBGSEVPAGU-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC(NC[C@]23CCCC[C@H]2CCC3)C1	2058828088	PIFLHGVCJQOTJU-ZGRYLRDCSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@H](O)c2ccccc2C(C)(C)C)CC1	2059177021	GHPRWKPQAWEFSE-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCCCC1CC(N[C@@H]2CC[C@@H]3CCCC[C@H]32)C1	2059391476	CMFDFTBTMCUPCS-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC[C@@]23CCC[C@@H]2C3)C1	2061603022	QWUYWRGUQGMCGS-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CC[C@@]12CCC[C@H]1C2	2061615864	XVUQYDCBIZSUBC-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CC1(CN[C@H]2CCCCCC23CC3)CCCCC1	2062020181	YSKJBHIBBBXJEG-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CN(CC1(C)CCCC1)[C@H]1CCCCCC12CC2	2062196269	KZGSATSKHPMJFE-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCc1ccc([C@H]2CC(=O)CC(C)(C)C2)cc1	2063727772	YUAXXMCXQMIYLC-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
C[C@H](N[C@H](C)[C@]12CCCC[C@H]1C2)C1(C)CCCC1	2067519328	FFLICXCJHYGPSY-QSJFSLAZSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@](C)(N)[C@@H]2CCC2(C)C)CC1	2068269264	JVYHCDQNODBFDV-FRFSOERESA-N	249.442	4.523	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCCC23CCC3)CCC1	2069343444	ZWKDHEQWKQDKEE-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC1CCC(C[C@@H](N)C2(CC3CCC3)CC2)CC1	2069567429	QVLXTDASMXRAPQ-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCCCC23CC3)CC1	2072795038	ZYGGQGQQSOJGBJ-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@H]2CCN[C@H](C3CCC3)C2)CCC1	2073783438	VWUJXSLBELTEBF-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@H]1CCCC2(CC2)C1	2074894693	DHEKAHHRYPZCBY-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC=CCCC1)[C@H]1C[C@@H]1C	2079225941	ZCLBQTAMTLBGFX-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2C[C@H]2C2CCC2)cc1	2079339115	YQOPVIMAWFCIKL-RDJZCZTQSA-N	244.378	4.625	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H]2C[C@H]2C(C)C)cc1	2079486891	PEKZHAYFCHCLDL-HOTGVXAUSA-N	244.378	4.504	0	10	BJAE	
CCc1ccc(NC[C@H]2C[C@H]2C(C)(C)C)cc1C	2079619825	NIHJZXMOJAOOFA-GDBMZVCRSA-N	245.410	4.652	0	10	BJAE	
CCCc1ccccc1NC[C@H]1C[C@H]1C(C)(C)C	2079622161	ZPVIPOHPRYHVNJ-HUUCEWRRSA-N	245.410	4.733	0	10	BJAE	
CCC[C@H]1C[C@H]1CC1(N)CC2(CCCCCC2)C1	2079864470	MTMINOYDAALJDD-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@@]1(N)CCCCC12CCCC2	2079870872	ONRLMRYWTPNMTI-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CC[C@H]3CCC[C@H]32)C1	2082981795	GMGICLOCOLGVMZ-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@H]1CCCC(C)(C)C1)[C@H]1CC[C@H](N)CC1	2082986659	NEJKLIFLMWTZAZ-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc(NC2CC3(C2)CC2(CCC2)C3)c1	2083632792	JBQALMVZFYXWGY-UHFFFAOYSA-N	241.378	4.520	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC[C@@H](C(C)C)C1	2085239902	KRRNMYGSIBKBQY-CVEARBPZSA-N	245.410	4.876	0	10	BJAE	
CC[C@H](CCC(C)(C)CC)CN[C@H](C)CC	2212588690	NAVQZVMRTSKMSX-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@](C)(O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213276943	FRSOJMYXVMVQHW-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(CCCCC1CC1)C1CCCCC1	2214585715	VGJAGDPMWPYNNW-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CCC[C@H](C[C@@H](N)C2CCCCC2)C1	2214777975	RDSOGZVUEYCDFW-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC1(O)CCCCCCCCC1	2215305492	YADOGEYCHNPQBA-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CC2(C)CC(C)(C)C2)CC1	2215434856	UJMYTRUTGHJUNY-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](O)CC1(C)CC2(CCC2)C1	2215467359	RJZUSXZKULKDKT-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@@]1(C)CC=C(C)CC1	2215821712	QQZLFYBDKBJNMP-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
CC(C)=CCC[C@]1(O)CCC[C@H](C(C)(C)C)C1	2216255682	DXSSEJXBSWWTLP-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CCCC(F)F)NC	2216408200	NVQHJZOLKIXIRD-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@](CC)(CCCF)CN[C@@H](C)CC	2217123897	CFCYFIVCEIRJJI-LSDHHAIUSA-N	245.426	4.711	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CCC(C)C)CCC[C@@H]1C	2217125809	RQLYCKJXBPFSIF-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC)CC(C)(C)C(C)C	2217150445	NEASACJFEHOQHM-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCCC(CCC)[C@@H](O)C/C=C/c1ccccc1	2219062015	IMTCSQIUQAUVRZ-YJJOXIQCSA-N	246.394	4.667	0	10	BJAE	
CC(C)c1ccc([C@H](N)CCCCC2CC2)cc1	2220031560	WIWSRLCADWBHIR-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@H]1CC[C@@H]1C	2220526824	LKQYRXPZKKTQIC-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
CC1(C(=O)C[C@@H]2C=CCCCC2)CC2(CCC2)C1	2221005912	UGGBEVYYVYYODW-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CN[C@H](C[C@@H](C)C1CCC1)[C@]1(C)CC=C(C)CC1	2221616828	VZSDCIOOUAZTMA-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](C)(CNCC2(C)CC(C)(C)C2)CC1	2221645407	XUDNHOXXJMWHPL-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CCC1CC([C@@]2(CNC(C)C)CC=C(C)CC2)C1	2221662806	PQSPWZZBOOOVKJ-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@H]1CC12CCC2	2223131880	CRTOYJXKKPIDOT-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](CC)C(=O)CCCC[C@@H]1C[C@H]1C	2244784606	VAYVZEJXDPDOIF-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](O)CC[C@@H]1CCCCC12CC2	2246630202	MHBXJBAFZXCCNU-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@](C)(O)CC[C@H]1CCCCC12CC2	2246638017	MFXVRHXYWUBKFG-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](CN)CCC[C@@H]1CCC[C@@H](C)C1	2246690159	ZTRCOIXMSCWDLO-OWCLPIDISA-N	239.447	4.604	0	10	BJAE	
CC[C@H](C(=O)c1cc2ccccc2s1)C(C)C	2246904574	DXUGXKAERNCNJV-LBPRGKRZSA-N	246.375	4.766	0	10	BJAE	
CCC(CC)C[C@H](CCCC[C@H]1C[C@@H]1C)NC	2247162421	GOWSARXXSXDCGB-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)C[C@H]1CCC1(C)C	2247372993	DMJFRAVOXJBJQD-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C(C)(C)C(C)(C)C	2247501338	JCFWROFEKVZVFT-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)[C@H](CCCCC[C@H]1C[C@@H]1C)NC	2248822897	UHBRHYZJNRNHSG-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](O)C1(C)CCC1	2250496685	UOTFMXOWJWRPDL-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CN[C@@H](CC1CCCC1)C[C@@H]1CCCCC12CC2	2253797596	YHXOANRHIMGXRU-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CCCCC12CC2)C1CCC1	2253800052	OKYALBBPGILCDU-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)C2(CC3CC3)CC2)C1	2253994337	DNLGIFNJAVGWRC-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(CC2CC3(CCCC3)C2)C1	2254053819	GHIDCRWTFUKIJN-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CCCC[C@@H]1C[C@@H]1C	2254576396	GUSBZIOQPBHMPS-ZOFXXKQRSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1C[C@H]1CCCC[C@H](N)C1CCC2(CC1)CC2	2254595185	SQZNWHZILAPUIE-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCCC[C@H]2C[C@@H]2C)c1	2254603961	FXALIPXGHKOBMA-YQQAZPJKSA-N	245.410	4.520	0	10	BJAE	
CC(C)CC[C@@](N)(C[C@@H]1CCC12CCC2)C1CC1	2255020054	XKQBYJNPMFDFDK-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)CC[C@@H]1CCCC12CC2	2255280629	CAODVHDTOICJLW-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)CC12CCCCC2	2257246179	FAKVXUAJCQIJTG-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@@H]1CCCC12CCC2	2257311642	NHJQZULIOVTZSP-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(NCCC2CCCC2)c1	2257944430	GKFFITLGSJVNMK-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CC1(C)CCC[C@]1(C)NC[C@@]12CCCC[C@H]1CC2	2260624744	OYTACVBDUVQPDY-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@@]23CCC[C@H]2CC3)C1	2260652524	RYMOJCXWJABODT-TWMKSMIVSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](Nc1cccc(C2CCCC2)c1)C1(C)CC1	2260734745	BYEUWTMGSNNBDJ-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CCC(CC)CC[C@H](CNC(C)C)C(C)(C)C	2300675354	DQLZEVOJPRQQFR-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@@H](CC)C(C)C	2300676353	NPNJPLOVOUWOQL-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@@H]1CC[C@@H](C)C1	2300682330	XWKBBLNHFGWYOJ-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CCc1cc(C)ccc1C(F)(F)F	2300866766	CULIAGCKVIXLRV-UHFFFAOYSA-N	242.284	4.913	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@]1(C)CC1(C)C	2300869651	LFKCUBJCUHCIRE-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC1CCCCCC1)C1CCC(N)CC1	2301238908	LCWYAXZVKRGJPP-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@H](N)CCC[C@H]1C[C@H]1C	2302608892	NDIXVWFEXCCQFM-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CCC1([C@H](O)C[C@@H]2CCC(C)(C)C2)CCCC1	2302897294	YRVSCMQPGVWBGT-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCc1cscc1NC[C@@H]1CCC(C)=C(C)C1	2303603071	ZLRCPDGJBBHNOR-CYBMUJFWSA-N	249.423	4.859	0	10	BJAE	
CCCC[C@@](O)(CC)CC[C@H]1CCC(C)(C)C1	2304351902	MLEGUFUTKZWCLI-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc(C(C)C)c1F	2307573223	AYRJEXAIRIXKDY-GFCCVEGCSA-N	237.362	4.940	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CCC[C@H](CC)C1	2307831418	KFPJXVXXRVGAIJ-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1cc(C)cc(C)c1	2307879479	RLZFAVGCYXXCRE-GOEBONIOSA-N	234.383	4.553	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@H]1CCC[C@H]1C	2307901053	HJNXEUBJHCCJBK-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(C)CC2(CCC2)C1	2307904446	UIOOWGJTVTXNBT-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)C1(CCC)CCC1	2307907440	LOZQVAGLYGSALW-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NC[C@@]23CCC[C@@H]2C3)CC1	2308103805	JGUIMVKYIXJAGZ-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCC1	2309167939	NEXMXWVHELUUOX-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@](O)(C=C1CCCCC1)C2	2309907876	BFHJCZLWCVTBJQ-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c2c3c([nH]c12)C(F)(F)CC3	2316177050	YJMXNENFDAQTNM-UHFFFAOYSA-N	249.304	4.638	0	10	BJAE	
CC[C@H](C(=O)[C@@H](C)[C@@H](C)C(C)C)c1ccccc1	2317911206	JUNQZRDEVHVYJP-DZKIICNBSA-N	246.394	4.678	0	10	BJAE	
C1=C[C@@H](CNCCCC2=CCCCC2)CCCC1	2318588532	HDDCODDKWVFQAS-QGZVFWFLSA-N	247.426	4.603	0	10	BJAE	
N[C@@H](CCCCC1=CCCCC1)C1CCCCC1	2318593861	ZBNMMDVNJHMMAT-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
Cc1cc(C)c(NCCCCCC2CC2)c(C)c1	2318933908	RFLXBFNUTKGNQL-UHFFFAOYSA-N	245.410	4.994	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)CC12CCC(CC1)CC2	2318943878	KSPXHGXVFSOPBA-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](N)c1cc(F)ccc1C1CC1	2319176635	SJYVERLPZJHHJF-MRXNPFEDSA-N	249.373	4.673	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H]1CC[C@H]1C(C)(C)C	2320215059	GWAZKEXGJXAHHM-ZIAGYGMSSA-N	244.378	4.558	0	10	BJAE	
CC1=C(C)C[C@H](NCCCCC[C@H]2C[C@@H]2C)CC1	2320368528	IFFURAGLXGFRKP-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CCCC1)c1cccc(C(C)C)c1	2320513147	HRNBFJSPKHSHPM-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@H]1CCCC[C@H]1C	19981904	CPMITLLIVYAICZ-ZBFHGGJFSA-N	239.447	4.616	0	10	BJAE	
CC(C)C(=O)CCCc1ccc(C(C)(C)C)cc1	41298234	CURGMLVQYCWFOL-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CCCC[C@H](NCC)c1cc(CC)ccc1CC	70440837	CJSPULDNHKACCY-KRWDZBQOSA-N	247.426	4.652	0	10	BJAE	
CCCC[C@H](CC)CCCC(=O)CCC	70739381	JKLXGILMQUNAPL-ZDUSSCGKSA-N	212.377	4.742	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](CC)CCC	71106248	VYEXPWBTHHGZLO-KGLIPLIRSA-N	213.409	4.514	0	10	BJAE	
CCCCCC[C@@H](C)NC1CCC(C)(C)CC1	79626783	SINZMNCMSOQETL-CQSZACIVSA-N	239.447	4.904	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)CCC(C)(C)C)C(=O)C1	85155161	FHBDIAYRAVCEBN-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
Cc1cccc(-c2c(C)cccc2Cl)c1C	85389092	UZLPJUVUZJOKAZ-UHFFFAOYSA-N	230.738	4.932	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1ccsc1	85527718	GADBPGOMIRAUBP-MRVWCRGKSA-N	237.412	4.621	0	10	BJAE	
CC[C@H]1CC[C@H](NC2CCCCCCC2)[C@@H]1C	86091011	KKWBYHLWHNEBCF-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C)CC2)cc1C	86878997	AUABAHZTWMAAHH-WFASDCNBSA-N	231.383	4.684	0	10	BJAE	
CC(C)c1ccc([C@@]2(O)CCC[C@H](C)CC2)cc1	86892860	PHSVCUZHVYEWRS-WMLDXEAASA-N	246.394	4.598	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCCC(C)(C)CC1	86893942	AZSYSJZSGMMJLI-AWEZNQCLSA-N	249.373	4.905	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CC2CCCC2)CC1	86940706	BRBAQJYRKYLYIT-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)c1cscc1C	87288873	GQDAZBYTWJNUPD-FZMZJTMJSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)C2(C)CCCC2)cc1	94899634	GFCFXDUBZWLILT-CJNGLKHVSA-N	245.410	4.780	0	10	BJAE	
C/C=C\C[C@H](CC)c1ccc(Cl)s1	107596014	MDNHDWRHHQOJMM-LVCFMKKZSA-N	214.761	4.861	0	10	BJAE	
CCCC[C@H]1CC(C)(C)CC[C@@H]1CNCCC	156288306	ALBZJFXHLXDHBT-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CC1CCC1)C1CCCCCCC1	159102006	IFOBASQUYUSLMT-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)cc(C(=O)C2C[C@H](C)C[C@@H](C)C2)c1	165982264	PBIJFYMKHLAGDP-ZIAGYGMSSA-N	244.378	4.558	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)c1cccc(C)c1	203336492	NJENMLXECOSHNQ-WBVHZDCISA-N	247.426	4.775	0	10	BJAE	
CCC(CC)Nc1cc(C(C)C)ccc1C	205174910	VWORTXKJZJUAAR-UHFFFAOYSA-N	219.372	4.719	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCC[C@H](CC)CC1	212524021	BUCAOJSJNLMIRQ-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@H]1CCCCC1(C)C	226827777	JCCBLOIGRGKRJC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@H](CC)c1ccccc1	229158733	OFKGPBOCDMAKQN-SJORKVTESA-N	247.426	4.595	0	10	BJAE	
CC(C)CC1([C@@H](O)CCC(C)(C)C)CCCC1	229341032	UOIXOYQFHAWLGT-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1cccc(C)c1C	229346508	RODBTXJLRPKABT-HOCLYGCPSA-N	234.383	4.553	0	10	BJAE	
CCCCCC[C@@H]1CNc2c(Cl)cccc21	232944253	UTQNIJNNLJDWTQ-LLVKDONJSA-N	237.774	4.820	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@@H](C)CC[C@H]1C)c1ccccc1	251249875	MPJVGXCPNPSNIQ-HDEZJCGLSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)C[C@@H](C)C[C@@H](C)C1	251308526	IOVLNIKWSMFHQK-QKPAOTATSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@H](N)CCC1CCCC1)CC(C)(C)C	302249641	KFJZCRFNFWMMJU-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CC(C)CNC[C@@H](CC(C)C)[C@@H](C)CC(C)C	302559436	LZMMKDYLUTVFGC-JKSUJKDBSA-N	241.463	4.577	0	10	BJAE	
CC(C)CC[C@@H](N[C@H](C)c1ccccc1)C1CC1	306075414	YXOUKNWQMBHJRZ-RHSMWYFYSA-N	245.410	4.552	0	10	BJAE	
Cc1c(Cl)sc2cc(Cl)ccc12	307134131	ZUPFCSZTXJUFAX-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@@H](CC)CC(C)C	308098868	QDGCVQBJDVSHIZ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC(C)(C)C2=CCCC2)CC1	308757999	QUCROLRZCROQIG-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(OC[C@H]2CCC[C@H](C)C2)c(C)c1	310175898	VCQXUBGBWVHHOL-WFASDCNBSA-N	232.367	4.509	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C[C@H]1CCC[C@@H](C)C1	310549420	VXLBSOMBPPFACT-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](NCC)C2=CCCCCCC2)CC1	310734612	DGRIFHPWTYHWNR-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](Nc1ccsc1)C1CCCC1	313417454	COYBLEQQGXMBHL-CYBMUJFWSA-N	223.385	4.519	0	10	BJAE	
CCNC[C@]1(CC=C(C)C)CCC[C@H](CC)C1	317239451	JTVCSNRAFONZLN-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)C[C@H](CC/C=C\c1ccccc1)NC	324249833	HZFGAIPHLVKTSY-VVETXBEESA-N	245.410	4.504	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC/C=C/c1ccccc1	324286613	OCYRQJNULLIVJW-ZJTAJZJASA-N	245.410	4.634	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1CCC(C)CC1)NC	379758870	ANJWJPXBVASDFH-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H]1Nc1cc(Cl)ccc1Cl	379776300	ABGRLQFOQWPJEC-LLVKDONJSA-N	244.165	4.594	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@H](C)C1CCCCC1	379945613	YVVUJAMUJKZMAM-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](n2ccc3cc(F)ccc32)C[C@H]1C	379970329	MCZFDZIPRYBHEX-LALPHHSUSA-N	245.341	4.778	0	10	BJAE	
CCC1CCC(CN[C@@H]2C=CCCCCC2)CC1	380819317	WYRAOUVKKATFFQ-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCCCCCC(C)C)C(C)C	383223573	SFLJIBXBABSIOP-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C=CCCCCC1	383235044	UGSPPDFMJDFEKJ-JKSUJKDBSA-N	237.431	4.824	0	10	BJAE	
CC1(CC(=O)C2CCCCCCC2)CCCC1	384026979	SADNAWOUZOHGIN-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CSc1ccccc1NCCC1=CCCCC1	385131703	HDBZTLRQJXHRDF-UHFFFAOYSA-N	247.407	4.711	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)c1cocc1C	385272094	AMYHWIZDWPYLNO-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CN[C@@H](CCC(C)C)c1ccc2sccc2c1	386244625	BIEUBZILGJAUOH-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CCC(CC)(CC)CNC1CCCCCCC1	391186545	STMUKWXYAAOWCO-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCCNCC1(C[C@@H](C)CC(C)C)CCCC1	393911779	PTFBLLLSYHDKJY-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)CCN[C@@H]1CCCC[C@@H]1C(C)(C)C	394405262	KRCAQSPAFBFHNU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(C)cc2cc(C(F)(F)F)sc12	396311223	WUXKNNZDRLKILB-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)CCC2CC2)cc1C	398033977	LTGLXZWIZFYLAH-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H](C)C(C)(C)C)c1	399176691	PXBZWEAOLYUIMA-GFCCVEGCSA-N	232.367	4.504	0	10	BJAE	
Cc1scc(C(=O)CC2(C)CCCC2)c1C	399904487	CADQKORLRRAIIV-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCNC[C@@]1(CC2=CCCC2)CCC[C@@H](C)C1	401080805	OFBWYPUWRDWZFK-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)C[C@@H]1CC=CCC1	402174182	YLPSGAUUJKVZQB-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2CC=CCC2)CCC[C@@H]1C	402400765	OMYGSPUEORQXEO-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CCC(C)(C)C1CC1	405962146	NQHWIAMYUNJPLV-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(CC2(C)CCC2)C1	688329099	LURLLUFPZMLMBF-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)CCc1ccc(C)cc1	688963280	GQFUTEMXRRDMPJ-UHFFFAOYSA-N	246.394	4.713	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CCCC2(CC2)C1	695678058	GDIBWSUEBHXNEV-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H]([C@H]1CC[C@H](CC)C1)C(C)(C)CC	701100046	UJRLEBYFDAQSFC-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCC12CCCCC2	705265427	JIFDNYBWFKDHIU-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCC[C@](N)(C1CCC1)[C@@H]1CCC[C@H](CC)C1	705365017	SIIRMXKSZXFDCI-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@](C)(O)C1CCCCC1	709070774	IBASJQMVVJEINL-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(F)ccc1OC[C@@H](C)CC(C)(C)C	709108720	JIAWQTRVEACWKE-NSHDSACASA-N	238.346	4.585	0	10	BJAE	
C[C@H](CNc1ccc(C2CC2)cc1)C(C)(C)C	709692026	SCAKPJZMDOVMNG-GFCCVEGCSA-N	231.383	4.658	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cc(C)ccc1C	711297150	OXEFWXXVTUNDQM-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CCNC[C@H]1CCCCC[C@H]1CC(C)(C)CC	713186156	UVOBWIOQBBKKOH-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C\CC[C@@H](CCC(C)(C)C)NCCC	713707395	ZFOBJFJXYYTOBM-CDNLZTBQSA-N	237.431	4.703	0	10	BJAE	
CC/C=C/C[C@@H](C)c1ccc(SC)cc1	714532444	XKTYQNSRJSVJSA-BTDICHCPSA-N	220.381	4.868	0	10	BJAE	
CCCCc1ccc(NC[C@]2(C)CC2(C)C)cc1	717033773	LERWUDMFVONILL-KRWDZBQOSA-N	245.410	4.877	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@H]1C1CC1	718561383	VZRCTRJWCROECC-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCC1(CN)CCC(C)(C)CC1	718726673	CBUVVQHLDHNRKZ-UHFFFAOYSA-N	237.431	4.668	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccc(Cl)s1	719151378	GWULUYUGDFEMEF-UHFFFAOYSA-N	242.771	4.721	0	10	BJAE	
c1cc2cc(NCCCCC3CC3)ccc2s1	720180634	DPUJEKQTDVURAB-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)c1ccc(C)cc1	720351288	VIOKRQUQONDDSE-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CC1(C)CC(CNc2ccc(C3CCC3)cc2)C1	723535425	QTGQKAKGIOGRSE-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CCC[C@](N)(CC1CC(C)(C)C1)C1CCCC1	723578712	JMVLZSIWHBFSSO-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)Sc1ccc(C)cc1C	1307259946	HGFDLTVUQGERGK-UHFFFAOYSA-N	208.370	4.584	0	10	BJAE	
c1ccc(CCCCSCCC2CC2)cc1	1473018862	WALZVACLEVAYTQ-UHFFFAOYSA-N	234.408	4.543	0	10	BJAE	
C=C/C=C/CCOc1ccc(Cl)cc1Cl	1559327384	BALLZAXUDHHEBH-ONEGZZNKSA-N	243.133	4.505	0	10	BJAE	
CC(C)C[C@@H](C)SCC1CCCCC1	1651780322	GIXCKAQOLIDBGL-GFCCVEGCSA-N	214.418	4.735	0	10	BJAE	
CCCC[C@@H](CC)CC=CCCNC(C)(C)C	1880414596	PAKGYSABQPWSAM-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
Cc1ccc(NCC[C@@]23CCC[C@@H]2C3)c(Cl)c1	1908416719	IRGYUIHVCAEYBP-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC[C@@]12CCC[C@@H]1C2	1908431609	LGAHALYTKQQBSF-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCCC[C@@H]2O)CC1	1909704429	DASPIYJYEVXHPX-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@@H](O)c1ccc(C(C)(C)C)cc1	1911794478	ZGTICHOBOBENBH-MRXNPFEDSA-N	244.378	4.540	0	10	BJAE	
CCCC[C@@H](CC)CNCC=Cc1ccccc1	1911809453	RSSOEGZMMQKSID-MRXNPFEDSA-N	245.410	4.506	0	10	BJAE	
CCC=CCN[C@H](CCCC)c1ccc(F)cc1	1911974520	BMSSICHSORUPGA-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCCC[C@](O)(CC)CCC(C)(C)C1CC1	1919498021	PKANNCSOKSGATG-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC1CC([C@@H](C[C@@H](C)CCC)NCC)C1	1921271046	ICLAMIASJWCGQP-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(F)c(C[C@H]2C=CCCCC2)c(F)c1	1925855092	SQPCBAQHFOGUBV-LBPRGKRZSA-N	236.305	4.562	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@@H]1CC=CCC1	1926158975	DJPSWRPZZGSDQQ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN[C@H]1CCC(C)(C)C[C@H]1C	1926159229	IANTYBHXQXQZRU-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1ccc(Cl)cc1	1937161828	NZIVIPRNORDAPD-NSHDSACASA-N	238.758	4.595	0	10	BJAE	
CCc1cscc1[C@H](N)CCCC(C)(C)C	1938820652	UYHZOKVHZYUVQP-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
CCCC1CCC(O)(C[C@@H]2CCC[C@H]2C)CC1	1940168151	SUXSUAKMEXRUOS-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C(C)C)[C@@H](C)C(C(C)C)C(C)C	1940253751	RBKADVPJGPBGPB-GOEBONIOSA-N	241.463	4.575	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1csc2ccccc12	1941242843	GZFKTSFVLXGQBW-ABAIWWIYSA-N	248.391	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)CCCCCC1CC1	1941595913	KHUSUFGNSRWMCZ-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1CCC1CCC1	1941690332	PNDPGOULGFASQI-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](NCC)C1(C)CC(C)(C)C1	1941987457	BPRNGMFUMFHNAT-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC(C)(C)C2CCCC2)C1	1945382739	QDBIYZRXBLXLJM-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC(C)(C)C1CCCC1	1946164834	NLBYVFOHONTFSL-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)N[C@H]1CCCCCCC1(F)F	1947297727	LCQSPOCOMMMXKF-OLZOCXBDSA-N	247.373	4.513	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCCCCCC1(F)F	1947298644	VFJNHWSTIWINAW-QWHCGFSZSA-N	247.373	4.513	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2C=CCCC2)C1	1947551487	GKZHJRHHJXLYSZ-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
C[C@H](CNC1CCCCCCCCC1)C1CC1	1947879806	CWYXKPUBFWXBRT-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)c1cscc1C	1948018471	IFFXLISHNSZGKJ-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@H]1CCCCC1(C)C	1948324574	AZXYBVNNVVKMQO-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCCC1([C@H](N)[C@H]2CCCC[C@H]2CC)CCC1	1948926647	DYBOWOYGXUAFPF-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)C1=CCCCCCC1	1948952276	WQLMWJHJWTXXKZ-GDBMZVCRSA-N	237.431	4.811	0	10	BJAE	
CCC[C@@](N)(CCCC1(C)CC1)[C@H]1CC1(C)C	1949053839	HZYXYLCTPLFEIB-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
Oc1ccc(S[C@@H]2CCC3(CCCC3)C2)cc1	1949453629	RISNHBIBNRIQHU-CQSZACIVSA-N	248.391	4.597	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CNC)CCCC(C)(C)CC1	1950912952	CJBXHWLDBDEAGC-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)C1CC(C[C@@H]2C=CCCC2)C1	1960638526	ZGQSJRNIUYIWIU-IYXRBSQSSA-N	206.373	4.805	0	10	BJAE	
CC1(C)CC[C@@H](COc2ccc(Cl)cc2)C1	1962979464	ADVIOLYINTUYJM-LLVKDONJSA-N	238.758	4.545	0	10	BJAE	
CCc1ccc(NC[C@H]2CCCC3(CC3)C2)cc1	1968313853	LKBDXHQXXSQEQQ-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC1CC(C(C)(C)C)C1	1970302822	OADWKWPHYRWUGR-IYXRBSQSSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)C1CC2(CCC2)C1	1970819584	HPZUHMOMFARCCA-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CN[C@H](C)c1cc(C)ccc1C)C(C)C	1973386017	NWZRBABXPMMIFT-CVEARBPZSA-N	247.426	4.636	0	10	BJAE	
CCCCCCC(=O)[C@H]1CC(C)=C[C@H](C)C1	1978420112	DHMMGEXVBZKLEC-GXTWGEPZSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H](C)[C@@H](C)NC1CCCCCCCC1	1980336454	JZDZSNWKORMETJ-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CC(C)CCC[C@H]1CCCCCCC[C@H]1O	1980352946	WSLYTVYQEZGYAM-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC=CCCC[C@H]1CCC(C)(C)CCC1=O	1984588525	CXIHDFZSKRRNLD-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cc(Cl)ccc1C	1989819739	VNLKSBVJQIYZRW-NSHDSACASA-N	239.790	4.885	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cc(F)ccc1Cl	1989823156	CATYKNLOAMJCGQ-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1ccsc1C	1995253294	FTPXCVMUQBEDPZ-RISCZKNCSA-N	240.412	4.696	0	10	BJAE	
CC[C@H](C)Cc1csc([C@H]2CC=CCC2)n1	1995444832	PNISNCYSKHVORQ-RYUDHWBXSA-N	235.396	4.555	0	10	BJAE	
CCC1(CC)CCCN(C2CCCCCC2)C1	1995716374	UJCIAQQFWITGSF-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC[C@@H]1CCCCN(C[C@H](C)C(C)(C)C)C1	1995748633	QOGCTEUONRGGHN-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CC[C@@](O)(C1CCCCCC1)C1CCCCC1	1996547317	NMVSKCBMNZTZBH-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@H](NC[C@H]1CCC=CCCC1)c1cccs1	1999995935	KIHRLMYHIXFTDA-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
CC1CCC(CC(=O)C2(C(C)C)CCC2)CC1	2000197181	UMBSVAIOSKAPMB-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H]([C@H](C)CC(C)C)C(CC)(CC)CC	2000375235	AEYVCQOCCYXDRR-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
Cc1scc(C(=O)C[C@H]2CC23CCCC3)c1C	2001253302	DVPLXWFOURJJFN-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)CC2(C)CCCC2)C1	2003013357	GWEAJWNMMMQRMY-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCC/C=C/CN[C@H](C)[C@H]1CCCC(C)(C)C1	2003016638	HHOFOYADWVKMQR-PEGRTIRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CN)CCCCC12CCC2	2005600847	JWTXQLNFEQBCII-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CN[C@@H]1C[C@H](C)C[C@@H](CCCCCC(C)C)C1	2006621475	BALQDWGCDHXDBA-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@H](CCC2CCCCC2)C[C@H](N)C1	2006630399	WNELIZGMJVDYQN-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H]([C@H]2CCC[C@@H](CC)C2)C1	2006673658	MWYCKBYYJXGZSU-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCC3(CC3)CC2)s1	2007682754	FNDUIDWBVJFITB-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](C=C1CCCCC1)NC	2007939131	DYUFXPHFBMXFKB-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CCO)C[C@@H]1CCCC2(CCCCC2)C1	2008716746	RGLXVPUQDWECAV-CABCVRRESA-N	238.415	4.536	0	10	BJAE	
CCN[C@H]1CCC(C)(C)CC[C@@H]1CC(C)(C)C	2009404620	PITWEEKOYUBCNP-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1CC(N[C@H](C)C2(C)CCC2)C1	2009715854	KNHFNCCGFLCQKF-WLYUNCDWSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](C)NCC12CCCC1CCC2	2012151233	DUAIAVIYNRBZSR-QQFBHYJXSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@](CC)(CC(C)(C)CC)C(C)C	2012417815	WYFSDWAAKQXUEP-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC(C(C)C)C(C)C	2015276827	BECXPVQAQNIYKG-ZBFHGGJFSA-N	241.463	4.848	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)C)CC(C)(C)CC	2015282339	UXBPHPQWRUFBOE-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CN[C@@H](CC(C(C)C)C(C)C)[C@@H](C)C(C)(C)C	2015284102	KKGYXTSGSIOFGE-HIFRSBDPSA-N	241.463	4.575	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NCCC(C(C)C)C(C)C	2015361745	YOIMNRRRFZUADN-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC1(CCC)CCC1)C1CCC1	2015641509	GCHFXDSBFCPRAB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CC1CC(C(C)C)C1	2016146442	WTEUZJSJCVRPJY-GPANFISMSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)C1(C[C@](C)(O)CC2CCC2)CCC1	2017113933	GPZBTOUPYSLJNP-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C1([C@H](N)CCCC2CCC2)CCC1	2017139566	WUXWWVZZDQRZJL-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C1([C@@H](O)CC2CCCCC2)CCC1	2017158718	NEMNCLJZJVJJFB-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)[C@@]1(O)CCCCC12CCCCC2	2017489405	HETZKFRPNZVSDA-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](N)(C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017722218	OMKSOZAPJBDWKC-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(C[C@@H](CN)CC(C)C)CC1	2017728880	QBNROBUYOZYQIY-GPANFISMSA-N	239.447	4.604	0	10	BJAE	
CCCCC[C@](N)(CC)CC1C[C@@H]2CC[C@H]2C1	2018133544	FSMRMCYNUOFTSL-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](C)C1(C)CCC1	2019194736	RSBSDSYKACHBEJ-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@@H](CC[C@H]1CC1(C)C)NCCC	2020973596	HCOYIZZIUBHXPC-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(CCC(=O)[C@H]1C[C@H]1C(C)C)C(C)C	2022414920	OEYIEIMRMYHPGB-GJZGRUSLSA-N	238.415	4.556	0	10	BJAE	
Cc1c[nH]c(-c2ccccc2C(C)C)cc1=S	2023460439	SZNSTNHWWKEQEI-UHFFFAOYSA-N	243.375	4.843	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C2=CCCCCCC2)C1	2026917293	CNJIBAXKRATAKK-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@](N)(CC)Cc1ccccc1C(C)C	2027516719	YVPKPHQKYAQWGR-QGZVFWFLSA-N	247.426	4.650	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C1=CCCCCC1	2027737964	UXMOGLSPXBKNEQ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)c1c(C)cc(C)cc1C	2028261102	GHNFUAIEPNNRST-RDJZCZTQSA-N	247.426	4.684	0	10	BJAE	
CCC[C@@](N)(c1ccccc1C1CC1)C(C)(C)C	2028556089	ZPWOJHKGCSFSBE-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
Cc1cc(C)c(C(=O)C2(C)CC(C)(C)C2)cc1C	2029112351	QOANJPJSOSRGGO-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccccc2C2(C)CC2)C1	2032243097	QPJRYRABXYSKBT-UONOGXRCSA-N	243.394	4.729	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CC=CCC1)C1CCCCC1	2032301844	RQCUELTTZQSYJG-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@@H]1[C@H]2CCCC[C@H]21	2032819390	GTGFSNJCECDBJT-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C[C@@]2(N)C[C@@H]3CCCC[C@@H]3C2)CC1	2034162291	SOWAGOZTBPJMML-NDQLQDMOSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(N[C@@H]2CC[C@@H](C)[C@H]2C(C)C)c1	2035408051	IXPCBMIWJVYONX-KBRIMQKVSA-N	245.410	4.732	0	10	BJAE	
CC[C@@](N)(CCCC1CCC1)c1cccc(C)c1	2037143045	QRZHUXVGERODHR-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CC1CCC=CCC1	2037207379	VBKRXLWJUBISKU-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)CC[C@@H]3CCCC[C@H]3C2)C1	2037581381	RGRYJALTERIAEE-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]([C@@H]1CCC2(CCCC2)C1)C1(C)CCC1	2037766275	IMTXDQOADWSKNH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)C(=C[C@@H]1CC12CCCC2)CNC(C)(C)C	2039081116	GZWUQLWRAMRYMX-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NC[C@H]1CC12CCCC2)C1(C)CCCCC1	2039864313	ZAYJFMDIWKMLCQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CC(C)(C)C1)[C@@]1(C)CC=CCC1	2042023793	FNVXRNTZBAIGMA-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
Cc1cccc2oc(C(=O)C3CCCCC3)cc12	2042607634	LDPUGUBXEPTEGF-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@H]2CCC3(CC3)C2)C1	2043007798	WEIPSUDNXHBNTP-MOKVOYLWSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(OC[C@@H]2CCC=CCCC2)cc1C	2045315488	UWQKUAHJOIBMEI-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
CC(C)(C)[C@@H](NC[C@@H]1CCC=CCCC1)C1CC1	2045318803	YROJMPCZQDGCJY-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C[C@H]2CCC=CCCC2)C1	2045327749	XZNYGBVIEULKNH-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(N(C)CCC[C@@H]2CC2(C)C)cc1	2046571323	RYQPUBZCUIMSBV-OAHLLOKOSA-N	245.410	4.512	0	10	BJAE	
N[C@H](CC1=CCCCC1)C[C@H]1CC12CCCCC2	2047012339	NQMWTHJIHJBOAC-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC(C)([C@H](N)C[C@H]2CC23CCCCC3)C1	2047013252	UJZQBXNRRUAFIQ-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CC23CCCCC3)C1	2047017202	UHQHIBGJGWZTNW-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048471271	GEHAXBNMDMNMDN-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2	2049639531	GBMHUSNCQUZGFG-CAOSSQGBSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)C[C@@H]1CCC2(CC2)C1	2049857110	SBUHZZHGCOCIRI-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1CC2(CCCC2)C1	2051398644	FHAGNQLRSIVCDY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]([C@H]2CCCC[C@H]2F)c2ccccc2N1	2055186382	PSJYNPDWDVUUDA-QHSBEEBCSA-N	247.357	4.503	0	10	BJAE	
CCCNCC1([C@H]2CCC[C@@H]2C)CCC=CCC1	2055274565	HDEGBAOONIPRSG-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CCC[C@H](C)CC1	2060922231	QFXUCNMWFYBFSX-MPTYRVRUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@]1(C2=CCC(C)(C)CC2)CCCCCN1	2061087708	HPLPCSODZDSTHM-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](O)CC2=CCCCC2)CC1	2061092830	SPUKVAXBBCAFFK-WBVHZDCISA-N	248.410	4.620	0	10	BJAE	
CC1(C)CC[C@H](CC2CC(=C3CCC3)C2)CC1=O	2061703034	YXOYLVNQUWRPHB-GFCCVEGCSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@H]1CCCCCC12CC2	2062016316	FXOFUERTGVEAQT-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(C(N)(C2CCCC2)C2CCCC2)C1	2065935078	SBVYVCJCZSEQGH-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(N[C@@H]2CCCC23CCC3)C1	2067986901	OVPAVOVXSFVCJG-YMAMQOFZSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@@]12CCC[C@H]1C2)C1(C)CCCC1	2070960486	WVHZNIQAGJOPGV-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(C[C@@](C)(N)C23CCC(CC2)C3)CCC1	2071945867	KNCGTTZGFSPYJW-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(CN)CC23CCCC3)CC1	2072798914	OCFNGBHKLIASDR-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H]1CC[C@H](CCc2cccc(N)c2)CC1	2072821102	YXNIRLSSUZPPAD-SHTZXODSSA-N	245.410	4.808	0	10	BJAE	
CC(C)(C)CC1CC(N)(C[C@]23CCCC[C@@H]2C3)C1	2074026335	TUXJHHUKJOXDLW-OGOZQZCJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2CCNC3(CCCCC3)C2)C1	2074142576	UHLDTEUIMZZXQH-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@@H]1CCCCC1(C)C	2074795061	RAOGNBLFXUNIOA-GOEBONIOSA-N	245.410	4.648	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2C[C@@H]2C2CCC2)CC1	2079318686	CSPDTGXKZOWTAJ-GMEATFMZSA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@@H]1C1CCC1)C1CCCCC1	2079441679	XKOGHSLIUPHDGA-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)CC1CC2(C1)CC(C)(C)C2	2079487507	RALLFMDVWPSBIX-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CC1(CC(=O)[C@H]2C[C@@H]2C2CCCCCC2)CCC1	2079490475	BTERZSOVFVNYTD-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@]1(N)C[C@@H]1C[C@H]1C1CCCCCC1	2079658688	BOKRYKGNELCCHZ-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H]1C[C@H]1C1CCCC1)c1ccc(N)cc1	2079708461	ZLCHKPJLMWETGY-PVUWLOKVSA-N	243.394	4.589	0	10	BJAE	
CC(=CC1(C(C)(C)C)CCC1)[C@H]1CC[C@@H](N)CC1	2082139735	LCBWBEIGHYHKPK-GASCZTMLSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)c1cc(C)cc(C)c1C	2082929593	HIXUEXFEFBVNFI-SJKOYZFVSA-N	247.426	4.699	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N(C)[C@@H]2C=CCCCCC2)C1	2085291120	NSARPPKXMKEMDV-ZACQAIPSSA-N	249.442	4.632	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CC)CC(C)(C)CC	2212598195	TZZLFXONFBRUOL-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
C/C=C/CCCc1cccc(C(C)C)c1OC	2213177570	QWQQIVBNLYNZAC-AATRIKPKSA-N	232.367	4.717	0	10	BJAE	
CCCC[C@@H](N)CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213297333	OKPCPDQLHWMLJX-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@H](N)CCCCCCC1CC1	2213574831	YSFNMXUTNPEDHW-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@H]1CC[C@@H]1C	2215103204	YJFRYNZEBMBDRW-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC1=CC[C@](CCC(C)C)(CNC(C)C)CC1	2215826071	JTDFEAOHNKIIGL-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](NC[C@@H]1CC=C(C)CC1)c1ccsc1	2215838985	JEWCKXWWJBDBQS-HIFRSBDPSA-N	249.423	4.535	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C(C)(C)CCC	2216277236	GDLWMKQZXJQCHD-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](N)CCC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216748306	UUCRILVCBREXOQ-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](N)CCCCCCCCC1CC1	2216877667	OYKIYZFEZUTCBJ-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CCC(C)C)C=CCCC1	2217123734	ATPHKGCRYIEOFG-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1=O	2218374174	NHEUBWVQNRLYMM-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1C[C@H]2CCC[C@H]21	2218732393	RAVOEOONMNHIEZ-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)CCCCCCC1CC1	2218733900	YNLRXCPZHFVHAL-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@]1(CC[C@@H]2C[C@@H]2CC)CC=CCC1	2220854801	YJBGQIGLVUOAHP-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@H](CC)Nc1ncccc1C1CC1	2221402020	HRWRTTFOIYCBKM-AWEZNQCLSA-N	246.398	4.730	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CCCCC2)CC=CCC1	2223599501	WLWPXGTUTFFDAB-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
c1ccc2c(c1)C[C@@H](CC1CCCCCC1)CN2	2223661828	LRDXIXSPBLBXMG-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1ccc(C2CCC2)cc1	2223687519	GGBZAJNGNQTKLF-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CCC1(CC(=O)[C@H](C)c2ccc(C)cc2)CCC1	2223965316	HTFURJPJYGOVRX-CQSZACIVSA-N	244.378	4.638	0	10	BJAE	
C(=Cc1ccccc1)Cc1ccc2c(c1)CCCC2	2226203916	QMWPTPFCNMHXNW-UHFFFAOYSA-N	248.369	4.821	0	10	BJAE	
CCCCc1ccc([C@H](N)C[C@@H](C)CC)s1	2242599420	VRIUZDIQTVAQIT-WCQYABFASA-N	239.428	4.527	0	10	BJAE	
Fc1ccc(CCC2=CCCCC2)c(Cl)c1	2243245081	IANFBJJFCFRTTC-UHFFFAOYSA-N	238.733	4.912	0	10	BJAE	
CCCCC[C@H](N)c1ccc(C2CCC2)s1	2244720028	DRWSXXBNSZCQIX-LBPRGKRZSA-N	237.412	4.596	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC(=O)C1CC1	2244848170	YLRFBPSJNXOHHA-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@H](C)C(=O)CC[C@@H]1CCCCC12CC2	2246630614	PYJILSMYNLINDN-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@H]1CCc2cccc(C)c2N1	2246647435	QLVHOGDGJHDMRJ-IUODEOHRSA-N	231.383	4.548	0	10	BJAE	
CCCCCC[C@](C)(N)C1CC2(CC(C)C2)C1	2247055909	BDONKXXFVQODTK-UFFJXHMVSA-N	237.431	4.501	0	10	BJAE	
Cc1csc(C(=O)CC[C@@H]2CCCC23CC3)c1	2247642735	GUQLSVJRDSKMIL-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)c1cc(C)c2sccc2c1	2248569777	TYGYBQCFHCBXJE-QMTHXVAHSA-N	248.391	4.679	0	10	BJAE	
Cc1cc2sccc2c(C[C@H]2C=CCCC2)n1	2249496014	WJNSKLSWPBFFKO-LBPRGKRZSA-N	243.375	4.504	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)CCCC(C)C)C1CC1	2250469631	QPLHRCIBAYBCNJ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C=CC[C@@H](C)CCCC(C)C)CN	2250514492	PUZOEGMGKYDIFF-HOTGVXAUSA-N	239.447	4.770	0	10	BJAE	
CCC/C=C/CNCC[C@H](C)CCCC(C)C	2250523923	MXTMPZJLTRAFLW-KXPUMZMLSA-N	239.447	4.785	0	10	BJAE	
CC=CCCCc1ccc2ccc(Cl)cc2n1	2252685233	DMEURLOEKMTLCQ-UHFFFAOYSA-N	245.753	4.787	0	10	BJAE	
CCCCC[C@@](C)(N)c1ccc2ccsc2c1	2253128288	AAOHTVSINSABBH-OAHLLOKOSA-N	247.407	4.656	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)N1CC[C@@H]1CCCCC12CC2	2253856610	QNQASSAHSAUHHU-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@@H](N)CC1CC2(CCCC2)C1	2254104965	CPJWNTTXTMUSRH-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C1CC2(CC(C)C2)C1	2254455765	VXVBUFGNJVCDFK-NNSQQDGLSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CCC23CCC3)c1	2254971807	ZFBHJLXQGXWHJI-HNNXBMFYSA-N	243.394	4.802	0	10	BJAE	
Cc1ccncc1OCC[C@H](C)CCCC(C)C	2259681448	MSOCLMNLPMUDMD-CQSZACIVSA-N	249.398	4.621	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)[C@]23CCCC[C@H]2CC3)C1	2260507777	MRTQEQUDTSVGLT-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@@]23CCC[C@H]2CC3)C1	2260509079	SYPJUYGOOVNKEG-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(C=C2CCCCC2)C1	2261381783	MKKNRWJOWUZLDF-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@@H](C)C1CC1	2300676323	NHSCMKZWMHCZJX-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC(=CC[C@H](O)[C@@H]1CC1(C)C)CCCC(C)C	2300935543	WYDZNKFRJMKEBV-GJZGRUSLSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](O)C1CCCCCCC1	2301834019	VYIIKBLHVAAXOQ-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)C[C@@H](O)CCCC1=CCCCC1	2302328015	FLCXOJQVLMDUPQ-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC1CCC(CC(=O)CCCCC2CC2)CC1	2302571413	KEWVZHVSEITAFN-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1CC[C@@H]1CCC(C)(C)C1	2304420996	SHPSBIPUOJALFS-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCCN(C[C@@H](CC)CCC)C1CCCC1	2307752047	NJPKYKIXKCCAHK-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CCC1CCC1)NCC	2307818194	YCWUOONXSOOZLE-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)[C@H]1CC[C@H](CC)CC1	2307898435	KCPKTKLMXXZHRK-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CC[C@@]12CCC[C@@H]1C2	2310381905	KGCQASXTMIHLTA-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C)C(C)=C[C@@H]1C[C@H]1C1CCCCCC1	2311576820	JPLZSVQYFKGYFD-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2	2313179683	PQSZXNUTYXEFJT-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]([C@@H]1CC=CCC1)[C@H](C)CC1CCC1	2313584589	QZPDRZOFMZBIKD-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@H](NCCC)c1ccc(CCC)cc1	2316510571	NJWOIJSFRYNOCR-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1ccc2ccccc2c1	2317663312	GOBAZLSSSSRFFT-ZIAGYGMSSA-N	241.378	4.932	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C1=CCCCCCC1	2317965546	KQOSFEXZPKYSAE-KRWDZBQOSA-N	247.426	4.875	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](N)CCCC1=CCCCC1	2318592183	GKGWRRXSZDYLJM-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CCC[C@H]1CC[C@@H]1C1CC1)C1CCCCC1	2319747602	GNGYHWRSVDWEAC-JQFCIGGWSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@@H]1CC[C@@H]1C(C)(C)C)C[C@H]1CCCCN1	2320239162	BNEAMQCRKBPOQS-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](C[C@@H]2CCC(C)=C(C)C2)C1	2320334145	MKBCBPSLKKSADV-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC[C@H](O)c2ccccc2)CC1	2320400976	DRTIEFSISNDGKY-RDJZCZTQSA-N	244.378	4.637	0	10	BJAE	
CCCN(CCC)Cc1cccc(C2CCC2)c1	2320621746	XXLUNXUSXCKHRY-UHFFFAOYSA-N	245.410	4.576	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)c1cccc(C2CCC2)c1	2320657132	KNQOHGVKUZWYLR-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CCC[C@H](C2(CNC3CCC3)CCCC2)C1	2326708050	CZDJQGBRQRFALE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@H](O)c1cc(C)ccc1C(C)C	2327691691	HPXJDNAYRAHCJJ-KRWDZBQOSA-N	248.410	4.978	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)CCc1cccc(C)c1	2328282540	PXMRYMSAMPQDLZ-WBVHZDCISA-N	248.410	4.505	0	10	BJAE	
CCc1ccccc1N[C@H](C)c1ccccc1C	20557883	QONWFASPOVMDBC-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
CCCN[C@@H](c1ccc(C)c(C)c1)[C@@H](C)CCC	35572799	GSQQBTKMJBKZQB-WMLDXEAASA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](C)n1c(-c2ccccc2)c[nH]c1=S	36903907	XTDJEZIKQUMPBD-LLVKDONJSA-N	246.379	4.574	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H](C)c2ccco2)cc1	36953614	YFBNQWKASRGODT-OLZOCXBDSA-N	243.350	4.966	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)c1ccsc1	53823089	IIGCHMUCTDXOKB-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CCCc1ccccc1N[C@@H](CC)c1ccco1	54084718	VRMROHQDDQWEJO-AWEZNQCLSA-N	243.350	4.795	0	10	BJAE	
CCCC[C@H](CC)Nc1cc(C)ccc1C	68985695	KSNIWPSEMQYGKB-AWEZNQCLSA-N	219.372	4.684	0	10	BJAE	
C[C@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F	75839641	QYMDXWZNMBBUEN-SECBINFHSA-N	230.273	4.650	0	10	BJAE	
COc1cccc(Nc2cccc3ccccc23)c1	82715886	DQSHZBUZKDCUCB-UHFFFAOYSA-N	249.313	4.592	0	10	BJAE	
CC(C)c1cc2cc(C(C)(C)C)ccc2[nH]1	83990563	FXIAUZJJXDJKRQ-UHFFFAOYSA-N	215.340	4.589	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C2CCC(C)CC2)CC1	86895430	MFJPFLBFMCAWCT-GYTBAZASSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H](C)c1ccccc1	87181209	VALUZHUEZNFDRK-GDBMZVCRSA-N	234.383	4.512	0	10	BJAE	
CCC(C)(C)c1ccc2c(c1)C(=O)C[C@@H](C)CC2	90486329	SVKWXTHRWAJIPO-LBPRGKRZSA-N	244.378	4.529	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1cc2cc(C)ccc2o1	97063405	LTHRFRFPGFRVMY-SMDDNHRTSA-N	245.366	4.567	0	10	BJAE	
Clc1ccc2c(Cl)c(Cl)ccc2c1	111354909	AAUJSCRITBXDJH-UHFFFAOYSA-N	231.509	4.800	0	10	BJAE	
CCN[C@@H](c1coc2ccccc12)C(CC)CC	122996795	ZLUXAQGBVUEJTA-MRXNPFEDSA-N	245.366	4.520	0	10	BJAE	
CC(C)c1cccc(CSc2cccs2)n1	123082432	YFGILZXELDPEMK-UHFFFAOYSA-N	249.404	4.559	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)c1cc2ccccc2o1	128220456	YGDLUJUGSXZRHS-LRDDRELGSA-N	245.366	4.520	0	10	BJAE	
CC(C)CNCC[C@@H](C)c1ccc(C(C)C)cc1	132761336	RIACCGXDZQNURT-OAHLLOKOSA-N	247.426	4.549	0	10	BJAE	
CC1CCC(C(=O)C[C@@H](C)CC(C)(C)C)CC1	165967062	JLRTZZIGERIAKQ-ROKHWSDSSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2c(C)oc(C)c2C)C1	166315779	MYGXCQZOZDHKHW-KBPBESRZSA-N	248.366	4.604	0	10	BJAE	
CC[C@@H](C)c1ccc([C@]2(C)CCS2)cc1	221508930	KRQXGGPIPOZOKJ-RISCZKNCSA-N	220.381	4.552	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1c(C)cccc1F	224936808	XKBGLPLGSSKYSU-DGCLKSJQSA-N	237.362	4.761	0	10	BJAE	
CC(C)c1ccc(-c2cc(Cl)ccn2)cc1	227693688	DXGMNFMNFUBPSB-UHFFFAOYSA-N	231.726	4.525	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@H](C)C(C)(C)C	229169419	MOQVYZQDHDYODN-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H]1CCC[C@H](Nc2ccsc2)C1	230772944	LLSURUWLMRLLKQ-OLZOCXBDSA-N	237.412	4.765	0	10	BJAE	
CCCCC[C@@]1(O)CCC[C@@H](CC(C)C)C1	230784852	XILWMFPSLLUUCE-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)C[C@H]1CNc2c(Cl)cccc21	233332213	FXYHOMKAPZUSOM-QWRGUYRKSA-N	237.774	4.675	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCC1(C)CCCCC1	234045512	JQYVPWKFEOJICX-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc2c1NC[C@H]2CCC1CCCCC1	235917291	QFMAPYFIMRTYLY-OAHLLOKOSA-N	243.394	4.865	0	10	BJAE	
Clc1cccc2ccn([C@@H]3C=CCCC3)c12	236073765	JDSOVTUZUYOWSI-GFCCVEGCSA-N	231.726	4.576	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC(C)C)NCCC	300965444	RDTBUGVIWQJXHO-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCc1cccc(N[C@H](CCC(C)C)C2CC2)c1	302501481	LHXGRNAKCRZARF-QGZVFWFLSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccc(CC(C)C)cc1	305996749	KDTTUZGIVNRJFZ-RHSMWYFYSA-N	248.410	4.745	0	10	BJAE	
Cc1ccc(S[C@H]2/C=C/CCCCC2)c(N)c1	306035511	SIRJSZBZCAUZII-IYNGYCSASA-N	247.407	4.558	0	10	BJAE	
CSc1c(C)cc2ccsc2c1Cl	306884158	LKFSPVGOTMLBFX-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CSc1csc2cc(Cl)c(C)cc12	307162938	HUPCDLSNBIRKKH-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NC)[C@@H](C)CC(C)C	308053134	OEANJJKWOBDDEW-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@H](CC)CC(C)C	308093170	JHBARYYWCVEUOD-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@@](O)(CC2CCC(C)(C)CC2)C1	310185973	XMRCPOCILTWOQE-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C(=O)CC2CCC(C)(C)CC2)cc1	311039974	UZYRQOXVMDTEJN-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@H](C)[C@H](C)CC	319580738	SNBLABIYCRBZLZ-IIAWOOMASA-N	241.463	4.863	0	10	BJAE	
CC[C@H](N[C@H](C)c1cc(C)cc(C)c1)C1CCC1	324945049	RUSGYOZEBZATLF-PBHICJAKSA-N	245.410	4.533	0	10	BJAE	
CCN[C@@H](c1ccc(CC)cc1)[C@@H](C)CC(C)C	381066852	YYMZKAQMCCPFMP-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
Cc1cc([C@@H](C)Nc2ccc(C)c(C)c2)cs1	381332895	BXUVUMSJMHYNTG-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CCCC1(C(=O)C[C@@H](C)C2CCCCC2)CC1	383879504	RGOZAIBZQLQIKY-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C1CCCCCC1	384884726	VYYGRHJPNYKOJU-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@@H](C)c1ccccc1)NCC	385153194	NHWVXIRUFFJGIZ-ZMSDIMECSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CCC2=CCCCC2)C1	385256792	XUQWQLVMFGUCMX-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@@H](NCCC)C(C)(C)C(C)(C)C	390752570	DPLIONWEXKMVIP-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC1([C@@H](O)C2CCCCCC2)CCCCCC1	394587980	HDEUWENXCZKZLX-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCc1cc2c(C(F)F)c(C)ccc2s1	396213263	CTRSEGREFNKCOB-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
Cc1c(C(F)(F)F)sc2c(S)cccc12	396294738	FZYBIBLKUVOFSE-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
C[C@H](C[C@@H](N)CCC1CCCCC1)C1CCC1	398724077	QTWSDGLCGOCMJA-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC1CCC1)c1cc(C)cc(C)c1	398808527	QKEPUEHRNYZVEX-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)CC2=CCCC2)CC1	401138409	FUWRTCMYNIDVRH-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](C[C@@H]2CC=CCC2)NC)C1	402114194	AMEWNPVNCKDHOH-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1OCC=C(Cl)Cl	403340282	IRXAEGDCXWKRNH-UHFFFAOYSA-N	245.149	4.508	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2CC[C@@H]3C[C@H]3C2)C1	403619018	KLWJUFBJDHNZBT-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CC(C)(CC[C@H]1CCc2ccccc2N1)C1CC1	406012396	WMOVZGKFTFDQRV-OAHLLOKOSA-N	243.394	4.630	0	10	BJAE	
CCCCC[C@H](N)C1CC(C)(C)CC(C)(C)C1	688345168	JBRLXSOGZPGWLB-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1ccc(OCCCC2CCC2)cc1	688869283	UTSRZMFFGMSDAQ-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
CC(C)C[C@H](C)CNc1ccc(C2CC2)cc1	690088707	NBBOPFZVNAQBHA-ZDUSSCGKSA-N	231.383	4.658	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](C)c1ccccc1	691134584	KNQGTSUGQFAAMI-UXLLHSPISA-N	245.410	4.696	0	10	BJAE	
CN[C@H](CCC=C(C)C)C1CCCCCCC1	697759228	KVIXZQLBXRCILY-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)=CCCCc1nc(C(C)(C)C)cs1	697993199	QVIPCRSUVAJIND-UHFFFAOYSA-N	237.412	4.730	0	10	BJAE	
C[C@](N)(C1CCCCCC1)[C@@H]1CC2CCC1CC2	704504885	CEFFIMCRIHMQOA-MMADZMRASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](N)(CC)C2CCCC2)C1	704916452	XACLMINEIYGPMK-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	710206011	QADWSFIPYOJZRB-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@H](CC)C(C)(C)C	711174615	CPNZCCRDICNOQU-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](C[C@@H](O)CC1(CC)CCC1)C(C)(C)C	711179001	KDDUKOBKMHNVNR-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)C[C@@H]2CCCC[C@@H]21	712513065	WJVBAZPEXPVREK-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H]2CCCC[C@H]21)C1CCCCC1	712519326	FEWAOKHKMOWLFF-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1NCC[C@H]1CC=CCC1	713027661	XVZVNSKNFUJSSO-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC(C)(C)C(C)C)C1(C)CCCC1	713175717	SHQUXVXIGJRHGE-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC(C)(C)C(C)C)NCC	713216509	LMBSZWZYNKUTBC-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C)(C)CC1(CN)CCC(C)(C)CC1	713227788	KWLHYPCYLCOWFJ-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)C[C@@H](CNC(C)(C)C)CC(C)C	713263539	BSFPEHFEURUOOR-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CC(F)(F)CCCC(=O)CC1CCCCCC1	718658569	HSGRDTNNJFSZAC-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CC1([C@@H]2CCNC23CCCCC3)CCCCCC1	721036431	MYIBXLKKDHHACS-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CNC2(CCCCC2)[C@@H]1C1(C)CCCCC1	721041216	KDMXFWGYTYFJOY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)C(C)(C)CC	723536250	XAIGXDHZMXUIGU-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)CCCC2(CC2)C1	723573070	YLCYXXLPTWGRQR-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)CSCc1cc(F)ccc1Cl	1165831962	BUUHDFFLGDTFJA-VIFPVBQESA-N	246.778	4.758	0	10	BJAE	
C=C/C=C\CCSCCCCc1ccccc1	1473018738	QIZQEFCHTMAGKG-ARJAWSKDSA-N	246.419	4.875	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCC1CCC=CCC1	1621535548	XVUBQXDGFHYRSC-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(CS[C@@H](C)CC(C)C)cc1C	1643791088	HPYRXPHFXJAACP-AWEZNQCLSA-N	236.424	4.971	0	10	BJAE	
CC(C)CCCc1cc(Cl)ccc1Cl	1889480557	ATHPPCRKAJIYGA-UHFFFAOYSA-N	231.166	4.972	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)CCCC(C)C	1900594620	OLJPWYHOPQKZFA-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CCCCN(CCC(CC)CC)[C@@H](C)CC	1900702015	OBDQDXLGWYKJEW-AWEZNQCLSA-N	227.436	4.713	0	10	BJAE	
C[C@@H]1[C@H](C/C=C/c2ccccc2)CC1(C)C	1901826427	PIQJDFZZWIBABR-VINFDWDVSA-N	214.352	4.772	0	10	BJAE	
CCC[C@](O)(CC)CCCC1=CCCCC1	1901950418	UKBGDALKJOZIPS-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CCc1cscc1N[C@H]1CC[C@H](C(C)C)C1	1902382410	WGRNLRAFXFEMKR-STQMWFEESA-N	237.412	4.547	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(CC)CNC(C)C	1905434479	ZBFZZUNKNUBCAA-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1(CCC)CCC1	1905445520	QKUITHDTGWBHSS-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@](C)(N)C1(C)CCCCC1	1908553622	CIIPUTLUOBNVGJ-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CCC[C@@H]1C[C@@H]1C	1908812569	VSLPJOHLMGECDW-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](CCC(C)(C)CC)NCC	1910617502	ICHFVXGKIYIUDS-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H]1C[C@H]1C(C)(C)C	1910819109	AZTFXGYTVQPTQN-LZWOXQAQSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1[C@H](C)C[C@H](C)C[C@H]1N	1916018332	BYSVRYXIZMVDMC-ZVDSWSACSA-N	239.447	4.602	0	10	BJAE	
CC[C@](O)(CCC(C)=C(C)C)c1ccc(C)cc1	1919884741	AIUXNLUBTFSFHP-KRWDZBQOSA-N	246.394	4.729	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C1=CCCCCCC1	1919963498	YSXMUYMBFWVATN-GOEBONIOSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1919969640	KVVWULOZJUOQLB-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CC1CCC=CCC1	1919972446	CSOWCNDWSRUBNT-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCC1CC(C(=O)c2ccc([C@@H](C)CC)cc2)C1	1921305273	LDDHXDVJETWDET-FUJMWEONSA-N	244.378	4.819	0	10	BJAE	
CC(C)(C)c1ccccc1OCC[C@H]1CC1(C)C	1921468569	FLWJFBUISULPPF-ZDUSSCGKSA-N	246.394	4.799	0	10	BJAE	
CC(C)NC[C@]1(CC2CCC2)CCCC12CCC2	1921608846	ZMAHPPFFRMWTGV-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CC1CC(C)C1	1925150061	XOCPJOHTDGKERT-AVVWSFFYSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC(=O)CC[C@@H]1CCCC1(F)F	1926173638	CDGZIRPNHSHPST-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CCN[C@H](CC(CC)CC)CC(C)(C)C(C)C	1926178741	UXIKKFKCKWXCHV-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CC(=C(F)F)c1cc2ccccc2s1	1927566114	SALSZIRXCMFSLI-UHFFFAOYSA-N	210.248	4.529	0	10	BJAE	
CCC[C@H](C)Nc1cc(C)c(Cl)cc1C	1933590732	MMZLVUQDGBWBLJ-NSHDSACASA-N	225.763	4.557	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)[C@@H](C)CCC(C)C	1937160870	AFQUXZWSGWVEGI-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
C[C@H]1CC(c2nc(C3CC3)cs2)C[C@H](C)C1	1937456934	GXVCIPHVRAUEKW-NXEZZACHSA-N	235.396	4.560	0	10	BJAE	
Nc1cc(-c2sccc2C2CC2)ccc1Cl	1938182965	AYZGMACUGZAKGI-UHFFFAOYSA-N	249.766	4.528	0	10	BJAE	
CCC[C@H](C(=O)c1sccc1CC)C(C)C	1938200526	BWVKZLZXJPOYAA-LBPRGKRZSA-N	238.396	4.566	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC2(C)CCCCC2)C1	1940405487	BZZVZZWMTZPMDT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CCCC2(C)CC2)C1	1940878293	VKHSBVPLINEOGI-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C(C)(C)C1CC1	1941138530	AZCUOMDXWNSHPS-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@H](CCC)C(C)C	1941263128	MQQCWEKMONTJEV-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C(=O)c1ccccc1CC)C(C)C	1941265267	VDWMCRSBDXTKMW-AWEZNQCLSA-N	232.367	4.504	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)CCCC1CCC1	1941470851	WLVXYKCSKYOVKI-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCCC(=O)CCC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C	1942042780	ACSZQHBSMOSCPR-KCQAQPDRSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)NCC1C[C@H](C)C[C@@H](C)C1	1943042031	UKDXDKJFPFMTHG-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](NCCC1(C)CCCCC1)C1CCC1	1945419484	DGXNGDSHIUECBV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc(C)c(F)c1	1947465499	RXJVTCARBGIZPY-WFASDCNBSA-N	235.346	4.515	0	10	BJAE	
OC1(CC2CC=CC2)CCCCCCCCC1	1947878793	LTKRIBWHABETEN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@]1(CNC(C)C)CC12CCCC2	1948070619	RUOXGMIYTMTHCH-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)CCC1CCCCC1	1948325664	HNFXRSKYFNBVOM-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CC2(C)CCC2)CC1	1948972804	KVXQINMHGNZHBD-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CCCC(C)(C)C	1948984004	PQYYDBHXSSVKDG-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCC(C)(C)C2CC2)CC1	1949032168	KCFXPAVZDUKCLO-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCCCCC1CC1)C(C)C	1949822814	AVRAOZSFAKVIKM-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
O=C(CCCC1CCCC1)CC1CCCCC1	1949906856	IIMSCUBJNOXYSH-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
C[C@@H](CCC1(CO)CC(C)(C)C1)CC(C)(C)C	1950371019	AVKDHKYJTPHLQB-ZDUSSCGKSA-N	240.431	4.638	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(CN)CCC[C@@H](C)CC1	1950931717	YRFUUPUOKMTWPB-PMPSAXMXSA-N	239.447	4.604	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1cc(Cl)cc(Cl)c1	1959209028	MXKOVLRNWRHTLR-PELKAZGASA-N	244.165	4.594	0	10	BJAE	
C[C@]1(CCC2CC=CC2)CCCC1(F)F	1960756322	GMCMZXWAGLLOIP-GFCCVEGCSA-N	214.299	4.558	0	10	BJAE	
C1=C(CCN2CCCCC3(CCC3)C2)CCCC1	1966436049	FEFCIFWWIWXBSG-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
CC[C@@H](NC1CCC(CC)(CC)CC1)C(C)C	1969023949	XEKMUECEMBLNMX-OAHLLOKOSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1971304992	LVGVWMLZDPKDFV-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
c1cc(N[C@@H]2CCC3(CCC3)C2)cc(C2CC2)c1	1972458418	BDXISMMUEQQDLK-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
Fc1cccc(Cl)c1CC1CC(=C2CC2)C1	1985537105	QLCKWOSNNIJNRT-UHFFFAOYSA-N	236.717	4.522	0	10	BJAE	
CCCCC[C@H](CC)NCc1csc(C)c1	1990100651	UHIVSQZQODTLTP-AWEZNQCLSA-N	239.428	4.505	0	10	BJAE	
Cc1ccc(Cl)cc1C[C@@H]1C=CCCCC1	1993486960	OSLOPGCHTJJHNL-CYBMUJFWSA-N	234.770	4.937	0	10	BJAE	
CC[C@H]1CC[C@@H](c2nc(CC(C)C)cs2)C1	1995443878	DXCDPPYCWXJAHJ-NWDGAFQWSA-N	237.412	4.635	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CC1(C)C)C1CCCCC1	1996592938	DUAHFPFKJLETOB-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCC1CCC1)CC1(C)CCCCC1	1998047023	FVXRCQYKEIKQQS-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C[C@H]1CCC=CCCC1	2000006732	NRPRMELPLGNNTQ-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCC1CCC(N)([C@H]2CCCC(C)(C)C2)CC1	2000061636	GLFHPVKIDVBYAH-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C(=O)C2CCC(CC)CC2)CCC1	2000194964	KXNVHFIGYHMDRL-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C=CC=CCC[C@@H](NCC)c1cc(C)sc1C	2000383891	BWPWJYBIYOMCSF-OAHLLOKOSA-N	249.423	4.538	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@H]1CC=CCC1	2000518740	ROEIDJWNCUYZJD-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2001494823	OFCTYYJAWHPMKR-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@](C)(O)C(CC)CC)CC1	2002923973	DMEUDMKSIYULSL-AVVWSFFYSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2CCCCCCC2=O)C1	2003112576	WEJMAHYORICDDP-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@H]1CCCCCC[C@@H]1NCCC	2003115845	DWXHGAFPCKBZBT-CVEARBPZSA-N	239.447	4.905	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CCC2(CC2)C1)NC	2003221022	MEGBPRQXRORFMR-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)CNc1cccc(C)c1F	2004707362	WOAWVKOQZFLZPM-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccc(CF)cc2)s1	2007030593	FULLGIJPDKQRSK-LLVKDONJSA-N	249.354	4.699	0	10	BJAE	
CC1(C)CCC(C)([C@@H](O)CC2CCCC2)CC1	2007697305	OTYLCURKCQETSN-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC=C(C)[C@H](C[C@H](CC)C(C)(C)C)NCCC	2007857412	CAOQLMWUAJRHAI-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CC(F)(F)CCC[C@@H]1CCC(C)(C)CCC1=O	2009403940	IUPCTKNVSXLAJI-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@]12CCC[C@@H]1C2	2011018323	ZPHWKVYDDFZCGU-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC[C@@H]1C[C@H](O)CC2(CCC2)C1	2012058211	GLBIEYHMYKRSBT-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](CC=C(C)C)(CNCC(C)C)C(C)C	2012416730	MZWXZIBWWBVQHU-MRXNPFEDSA-N	239.447	4.641	0	10	BJAE	
CCCC[C@@](N)(CC)CC12CCC(CC1)CC2	2012836512	NCJHABUROUZPLG-GPANFISMSA-N	237.431	4.645	0	10	BJAE	
CC(C)C(C[C@H](O)C(C)(C)C(C)(C)C)C(C)C	2015275878	UBYGHRNCJLJLGY-AWEZNQCLSA-N	242.447	4.738	0	10	BJAE	
CC(C)C(CC[C@@H]1CC[C@H](C)C(=O)C1)C(C)C	2015390362	KSSJCYCAXKTZHU-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)C1(CC(C)C)CC1	2015755023	MIWIHTCMKQCWKS-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@H]1C1CCC1	2017041815	DMMNQIITLPPJEP-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(O)(CC1(C(C)(C)C)CCC1)C(C)C	2017113680	COVUENLROUWMKS-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@@H](N)CC1(C(C)(C)C)CCC1	2017140364	GKEQLAGFXOXOGY-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CC1(C)C)C(C)=C(C)C	2017476647	ZGZGPWJFLDTIQH-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)CC1CCCC1	2018127790	NWCALHJRUXDFLG-HOCLYGCPSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCC12CCCC2	2018141154	LGIJIXLZQNLEMH-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CC[C@H]1CCCCCN1[C@@H]1CCC[C@@H](CC)C1	2019181146	IGACSUOLEYLGHT-OWCLPIDISA-N	237.431	4.610	0	10	BJAE	
CCCCCCN(C)C1CC2(CCCCC2)C1	2019291171	NLNCDPJJWDABCR-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CN[C@H]1[C@H](CCCC(C)(C)C)CCCC1(C)C	2020361436	PRMJZDJYNKSBJT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1cccc2ccsc12	2022412975	UXYRYQORFUILPM-WCQYABFASA-N	244.359	4.520	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1cccc(C(C)C)c1	2022492068	GUIPNPMWBWTRFE-LSDHHAIUSA-N	231.383	4.658	0	10	BJAE	
CCC1CCC(C[C@H]2CCC[C@H](C)C2=O)CC1	2024002781	BPFQJKCESQBIGX-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)CCCC2CC2)C1	2024093427	BMUCHNJIRAKVKF-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@H](CC)C[C@@H]1CCCC(C)(C)C1	2024094874	NEWXUYWIWZXTCS-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
C=C=CCC(=O)CC1CC(C)(C)CC(C)(C)C1	2024102779	VWCYGBXRBLQARQ-UHFFFAOYSA-N	234.383	4.529	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@H]1CC(C)(C)C1(C)C	2025066796	GPVFKXWGNUGFNE-KGLIPLIRSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)C[C@H]2CCC[C@H]1C2	2026245380	UFHBDZAIYFNDHT-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](c2nc(CC3(C)CC3)cs2)C1	2026544979	RRLVAMHIYKSNHM-NEPJUHHUSA-N	249.423	4.779	0	10	BJAE	
CC1(C[C@@]2(N)CCCC23CCCC3)CCCCC1	2027309149	NBXCRGGXJXDBDF-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC(C)c1ccccc1C(=O)CCCC1CCC1	2027521129	UWEUBHMGXXGOAL-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCc1ccc2c(c1)N[C@](CC)(C[C@H](C)CC)O2	2027996576	CXJNOZVUWTVMST-WBMJQRKESA-N	247.382	4.596	0	10	BJAE	
CC(C)C(C(=O)c1ccc(C2CC2)cc1)C(C)C	2028591126	QCDBNZQZKMHCLK-UHFFFAOYSA-N	244.378	4.675	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCC1CCC=CCC1	2028873358	XYVCVLLDKQMDEC-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CN)[C@@H](CC2CCC=CCC2)C1	2028875901	RONRIYFWKNKLIW-CVEARBPZSA-N	249.442	4.524	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)C1	2028965460	SOGAKUXTFUGBOM-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](NCC2(C3CCCCC3)CC2)C1	2029739349	AABYSPOIFBSWGU-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](NC2CCC3(CCC3)CC2)[C@@H]1C	2032254323	BPRNDMKUKHMDFX-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)c2ccccc2C2CC2)C1	2033393775	JHVUABAMNDNKHP-CYBMUJFWSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCc2ccc([C@H](C)CC)cc2[C@H](N)C1	2034172977	QOMNYOUFYGGYRV-PBFPGSCMSA-N	245.410	4.562	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cccc(C)c1	2035400171	LYRVFEZAEWHRHW-UXLLHSPISA-N	245.410	4.614	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H](C)[C@@H]2C(C)C)c1C	2035409537	MKLFXHFIMHNEQE-XKQJLSEDSA-N	245.410	4.786	0	10	BJAE	
CCc1occ(C)c1C(=O)[C@@H]1CCCC[C@@H]1CC	2035538138	MIDLDMFKRKROFO-QWHCGFSZSA-N	248.366	4.550	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)C1(C)CC(C)(C)C1	2035598205	DYQXFZHIZSMMQH-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
NC1(C2[C@H]3CCCC[C@H]23)CCCCCCCCC1	2035888668	BBDMXAPOKHFFLG-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@@](C)(N)c1ccc(C2CCC2)cc1	2037089756	XYSYCXHWPQYXAZ-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
CN[C@H](CC[C@@H]1C=CCCCC1)CC1CCCC1	2038111371	ABZIZMZAAULMRA-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(CN[C@H]1C=CCCCC1)C1CCCCC1	2039042982	ZKVFWKRDOYNWCP-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@](N)(C[C@@H]1C=CCCCC1)C1CCCCC1	2040655013	YZFRSADZNBYZQG-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC(N[C@@H]2CCC23CCCC3)CC1(C)C	2042386412	ULAHCVTYWLQUFV-CQSZACIVSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(N)(C[C@@H]2CC23CCCCC3)CC1	2047015518	JLEWDEQPPPIHAE-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2047339930	IDHAQTOPTJBLHI-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048363496	PYGWBNVVMMMZJA-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@H]1CC[C@H](C)[C@H](C)C1	2050449874	KSAZZPIMCGJWPS-NWANDNLSSA-N	244.378	4.640	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(CN)CCCCC23CCC3)C1	2053419127	DEKDWERVWSLRDK-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H]2C=CCCC2(C)C)C1	2055530967	DJXFXHKEEBTEFX-OWCLPIDISA-N	249.442	4.536	0	10	BJAE	
CC1=C[C@H](N[C@@H](C)[C@@H]2CCCC(C)(C)C2)CCC1	2055551638	IHHWPCYICMOYNX-ARFHVFGLSA-N	249.442	4.680	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@@H]2CC23CCCC3)CC1	2056559158	PMVPAPJCADURPP-LVDPKSTMSA-N	249.442	4.501	0	10	BJAE	
CC=C(C)[C@H](NCC)c1ccccc1CC(C)C	2056773705	FTDXXBNKGCNWJI-KRWDZBQOSA-N	245.410	4.502	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1C[C@H]2CCCCCC[C@H]21	2056781455	GUKDNZDIIMPDTB-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H]1CCC(C)(C)C1	2056879321	RWNATEFYTMWTCM-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC=C1CCCCC1)CC1CCCCC1	2056882663	KXOSSACHZMWZMQ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC(C)C[C@@](O)(CCC1(C)CC1)c1ccccc1	2059178788	VSSLUKYZMKVWLY-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1[C@H]2CCCCC[C@H]21	2059250082	NGAYHSQVLLMXPW-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(N[C@@H](c2ccccc2)C(C)C)C1	2059391844	IHVMCQAXYTYKLF-BDVYOWHSSA-N	245.410	4.552	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCC23CCCC3)C1	2059397362	JTOQCGWTYNMISP-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
C=C=CC[C@H](CC1C[C@@H](C)C[C@H](C)C1)NCCC	2059444678	PSKBNXHEBWCULI-YQQAZPJKSA-N	249.442	4.548	0	10	BJAE	
CCCCCC1CC(N)(CC2CCC=CCC2)C1	2059490195	ONQWYWGFVYZOKO-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C1=CC[C@H](C)CC1	2060922457	RTZKPYFCNVJSJJ-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)CCC2CCCCC2)CC1	2061151695	UPYRXSNLXGHLAV-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
NCC1(CC2CC(=C3CCC3)C2)CCCCCC1	2061740984	FXOJZYUDFQQKFD-UHFFFAOYSA-N	247.426	4.566	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCC12CCCC1CCC2	2063900961	SUYJUGKCYBOHPF-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
CCNCC1(CC23CCC(CC2)C3)CCCCC1	2065335189	MIZWSAMSLUZXNX-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC23CCC(CC2)CC3)C1	2065340240	UDPBOJCMZYYMJW-ZGRYLRDCSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](O)c1ccc(C(C)(C)C)cc1	2068845210	RYKJIPXHQSMRRU-BBRMVZONSA-N	248.410	4.700	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](O)c1cccc2ccccc12	2068846411	YMCCYYYBNRNINJ-SUMWQHHRSA-N	242.362	4.555	0	10	BJAE	
CC(C)NCC1(C[C@@H]2CC23CCC3)CCCCC1	2069168468	QHPZOXOFWNAMBZ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C1(CC(C)C)CC1	2069511594	RDCSMCMBDPASEM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC1C2CCCC1CCC2	2070397483	HYMJJFWQHXXUBN-UKBSLWIUSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CCC1	2071915664	QLQMTMFJRPEKFC-MJBXVCDLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CC12CCCCC2	2072422675	FCJCEEZAGSSFCQ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](C=C2CCCC2)NC)CC1	2072701179	VSWQDBKFGPDYGC-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](NCC)c2ccc(C)cc2)CC1	2074643566	HBXFUKMSXQPQFC-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)[C@@H]1C=CCCCC1	2075364784	IYIXVNZFDZOTBQ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)CCN(C1CCCC1)[C@H]1C=CCCCC1	2075402189	UVMZPFUETWTYCC-INIZCTEOSA-N	249.442	4.776	0	10	BJAE	
Cc1cccc(F)c1C(=O)CC1CCC(C)CC1	2075977805	ZNOITIDGNKRPSR-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN(CC(C)C)c1ccccc1	2079891817	WEJGOYMBQPWWPK-CVEARBPZSA-N	245.410	4.585	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CC(C)(C)C[C@@H]1C	2081946905	MWDXAYRREKKQSY-NHYWBVRUSA-N	249.373	4.625	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@]23CCCC[C@@H]2C3)C1	2082973269	PVVLWYRDLGKQSJ-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CN)CCC1CC2(C1)CC1(CCC1)C2	2083606399	SRRARMBCKAYCPQ-CQSZACIVSA-N	249.442	4.502	0	10	BJAE	
CC(C)CCCCC=C1CCCNC12CCCC2	2083818589	YPUAQGMVGCBDPE-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1ccccc1CC	2086053610	MHUNVHMDQAYZJC-PBHICJAKSA-N	247.426	4.855	0	10	BJAE	
CC[C@](N)(CCCCCCC1CC1)C(C)C	2210527357	QOBYHOWLTPSQOV-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
Clc1cc2ccccc2c(C2CCCC2)n1	2212518095	PBFFCJQALDCPNC-UHFFFAOYSA-N	231.726	4.546	0	10	BJAE	
CCCN[C@H](CC)c1cccc([C@@H](C)CC)c1	2214058621	ZXPDALCMCWHAQG-XJKSGUPXSA-N	233.399	4.651	0	10	BJAE	
CC1CCC(CC[C@@H](N)C2CCCCC2)CC1	2214779707	ZGRUURPQAHVEMJ-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)c2cc(C)c(C)s2)CC1	2215818816	SQJZGRPRUNVLBP-LSDHHAIUSA-N	249.423	4.501	0	10	BJAE	
CC[C@H](C)NCC(C)(C)C[C@H]1CCC[C@H](C)C1	2217146015	VLBUYIKUWHFNOJ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1(CN[C@@H](C)CC)CC2(CC2)C1	2217153841	OVHGIMDDANJMJP-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Fc1ccc(F)c(CC/C=C/c2ccccc2)c1	2219075266	AIYXHMZUCLLMNH-XBXARRHUSA-N	244.284	4.611	0	10	BJAE	
C[C@H]1CCC[C@@H](Cn2ccc3cccc(F)c32)C1	2220311391	VQKSPHZUPWBSQS-QWHCGFSZSA-N	245.341	4.607	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1(C)CC2(CCC2)C1	2221005435	SJLNWEJOCATNOG-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@H]1CC)[C@]1(C)CC=C(C)CC1	2221633651	VKERFXMGWPVLJN-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CCCCC2)CC12CCC2	2223593754	JHWFRLZWXZSCBT-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC2(C)CC(C)C2)C1	2246524048	KOMISYWSVBPOSM-IOSBVQAASA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@H](N)CC[C@@H]1CCCCC12CC2	2246620375	MHBSQENKIXTION-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](C)(N)C2CCCC2)C1	2246681025	UFOVIWFEHSUGEF-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@](C)(O)CCC2CC2)C1	2246695905	VSJFEFZVMGPPDC-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
Cc1sc(C(=O)[C@]2(C)CC=CCC2)c(C)c1C	2246805305	UEINXZMIJVBCBC-OAHLLOKOSA-N	248.391	4.602	0	10	BJAE	
Cc1ccc(C)c(OCCCC[C@@H]2C[C@@H]2C)c1	2247121592	QUBCHQCGNUEHPO-LSDHHAIUSA-N	232.367	4.509	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCCC[C@@H]2C[C@@H]2C)C1	2247124247	ZQUNFQLSEVTAHB-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2CCC2(C)C)CC1	2247447332	MBUGYWOVEWMPBR-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](C)c1ccsc1	2248101985	JDPAEIRHMGTSDG-JTQLQIEISA-N	249.354	4.623	0	10	BJAE	
Cc1ccc(NC2CC(C[Si](C)(C)C)C2)cc1	2249656179	WTMRFGXIDIECRN-UHFFFAOYSA-N	247.458	4.524	0	10	BJAE	
CCC[C@H](CC)CNC[C@H]1CCC[C@@H](C)CC1	2250381127	LCVOBSKWMXHKSJ-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@@H](C)CC(C)C	2250493163	ZFPOKTDXMPYPSC-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@@]12CCC[C@H]1CC2	2251213647	ZMTYMNDDHOMHSQ-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](CCCCCCC2CC2)[C@H]1O	2251708545	RQXDWFWURODFOZ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](NCC)c1ccc2ccsc2c1	2253056343	HREPVIPGJYSOSN-AWEZNQCLSA-N	247.407	4.742	0	10	BJAE	
Cc1cn(CC[C@@H]2CCCCC23CC3)c(C)c1C	2253880253	IDGLXFODDUYSJV-INIZCTEOSA-N	245.410	4.774	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)CC[C@@H]1CCCC12CC2	2255224835	JTIRMBNRVREZFW-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C12CCC(CC1)C2	2257244972	GMODEKVWXNUOEJ-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
CCc1ccnc(NC(C(C)(C)C)C(C)(C)C)c1	2257685746	DDWDZEIKNOQIEZ-UHFFFAOYSA-N	248.414	4.517	0	10	BJAE	
CC(C)(C)c1cccc(NC2CC(C3CC3)C2)c1	2257905730	IQQSXJAHPBUDNV-UHFFFAOYSA-N	243.394	4.585	0	10	BJAE	
Cc1cc(NCC2CC(=C3CC3)C2)cc(C)c1C	2258239146	PWLOMCWCXQIZMI-UHFFFAOYSA-N	241.378	4.524	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)c1cccc(C)c1C	2259456750	ZLHGDWBEPPTEJQ-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)[C@]12CCCC[C@@H]1CC2	2260505256	GXNNEGVAKHFXSX-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(NC[C@]23CCC[C@H]2CC3)CCC1	2260547786	XELILEYLBMZCQO-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CC1(CCNC[C@@]23CCCC[C@H]2CC3)CCCC1	2260627790	SICCZSHVUXQPOW-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCC[C@]1([C@@H](C)CC2CCC2)CCCCCN1	2298858813	ROAOGLVPHNNAQU-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)[C@H](C)CC1CCC1	2298929959	FQVQCFOIHYTSIC-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@@H](C)C(C)(C)C	2300687565	DHCWNHWCQANHPO-HIFRSBDPSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC[C@](O)(CC)c1ccccc1	2300687637	DYVNNGVOIPXRJE-MRXNPFEDSA-N	234.383	4.501	0	10	BJAE	
CC(=CC[C@@H](C(C)C)[C@@H](C)N)CCCC(C)C	2300902515	VJYRLJFNUJKWIC-CVEARBPZSA-N	239.447	4.769	0	10	BJAE	
CC(=CC[C@H](C(C)C)[C@H](C)N)CCCC(C)C	2300902518	VJYRLJFNUJKWIC-JKSUJKDBSA-N	239.447	4.769	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1C[C@H]2CCC[C@H]1CC2	2301144443	DORFPRPYFHEYIO-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](CNC(C)C)[C@@H](C)[C@@H](C)C(C)C	2301830524	XVAKHPMWOFZZPT-HRCADAONSA-N	241.463	4.575	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@@H](C)[C@@H](C)C(C)C	2301962003	PMQKNSISJLOWPB-LSDHHAIUSA-N	239.447	4.639	0	10	BJAE	
CCCC1CCC(N)([C@H](C)[C@@H](C)C(C)C)CC1	2301963872	GBTULOWMUAVKER-QRNKSROTSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCc1cc(C=O)cc(C(C)C)c1	2302228560	HCVNYASAPNDESU-UHFFFAOYSA-N	232.367	4.601	0	10	BJAE	
CCC[C@](N)(CCCC1=CCCCC1)C1CC1	2302329425	SJZBZFCZSHWMFK-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
N[C@@H](CCCCC1=CCCCC1)C1CCCC1	2302346126	BRNQSPNXJKDBKY-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(N)CCCC(C)(C)C2)C1	2302691569	RYRZZPMPVLCLOM-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CCC1(N)CCCCC1	2303463346	ZCJKQYWSNQNXAM-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](C[C@H]1CCC(C)=C(C)C1)NC	2303595365	SCQLCFVSFKWZOA-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC=CCNc1cccc(C(C)C)c1F	2307572193	TVAZWRQHGKWCMM-UHFFFAOYSA-N	235.346	4.717	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CCC[C@@H]1C(C)C	2307894399	MKWPVNOBQBERJG-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](N)c1ccccc1C	2307900267	UQTXTJKFVCVKMZ-ZBFHGGJFSA-N	233.399	4.601	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)CC[C@@]12CCC[C@@H]1C2	2310389666	GPFGSBBMFJVRMG-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@@]12CCC[C@@H]1C2)C1(C)CCCCC1	2310894824	LOTSWBDCZDLRJT-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1C[C@@H]1CC)c1ccccc1	2312457678	IZACRDKKWYYJDS-UAGQMJEPSA-N	245.410	4.554	0	10	BJAE	
C(CCCN[C@@H]1C[C@@H]2CC[C@H]1C2)CCCC1CC1	2312601206	UIQYHJFEDYRWPN-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@@]12CCCC[C@@H]1CC2	2313315713	NZDCOPVPLZWEFH-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)C[C@]12CCCC[C@H]1CC2	2313342746	REBAJMUSPCBVAJ-ZOMKSWQUSA-N	248.410	4.598	0	10	BJAE	
CC(=CCc1cnc(C2CC2)o1)CCCC(C)C	2316489152	DIOPPNJILUYISS-UHFFFAOYSA-N	247.382	4.867	0	10	BJAE	
CC(=CCN1CC=CCC1(C)C)CCCC(C)C	2316506050	IYACUMAFGPSPSU-UHFFFAOYSA-N	249.442	4.800	0	10	BJAE	
CC(=CC[C@@]1(N)CC=CC[C@@H]1C)CCCC(C)C	2316523408	UECYZIYGRBGMKV-IRXDYDNUSA-N	249.442	4.833	0	10	BJAE	
Cc1cccc([C@](C)(O)CC2CCCCCC2)c1	2316857816	BYCRTLZDZYJPKS-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1C[C@H]1C[C@H]2CCC[C@H]1CC2	2316871422	APZZTCAQAZWXKS-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2317013690	RWUDMFWLXYXJIR-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
OC1(CCCC2=CCCCC2)C[C@H]2CC[C@@H](C2)C1	2318582513	DLPZZJSHVJNJJP-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(C(=O)CCC[C@H]2C[C@@H]2C)c1	2318930486	NOFDWVDOIKKRSH-ZFWWWQNUSA-N	244.378	4.819	0	10	BJAE	
N[C@H]1CCCC[C@@H]1CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2319001770	WCSNUUNMGXXFCL-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](O)CC[C@H]2CCC(C)(C)C2)cc1	2319029884	KWUFHJQWSYSGRQ-GOEBONIOSA-N	246.394	4.635	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)C[C@H]2CCC(C)(C)C2)C1	2319115255	KETPCQDTCSYHBG-DRPJVOAASA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@H](CC2(N)CCC3(CCC3)CC2)C1	2319324944	AZRUZRLXLNPUDB-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCC[C@H]3C[C@@H]32)CC1	2319338650	BXMLPQREKVPYNU-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@H]1CCC(C)=C(C)C1	2320388510	QRALJLLHFSHEGG-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H](C)c2ccc(C)cc2)CC1	2320411695	FXKYFFOIGIOLNQ-DOTOQJQBSA-N	243.394	4.535	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CC[C@H]3CCC[C@H]32)C1	2321646050	UCGWUANKYKZGAF-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](O)c1cc(C)ccc1C(C)C	2327676686	BDKJZUVDDKLVJS-CPUCHLNUSA-N	246.394	4.588	0	10	BJAE	
C=C=CC[C@H](N)c1ccc(CCCCCC)cc1	2327905334	KWESMMKDBALCDW-KRWDZBQOSA-N	243.394	4.540	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCCC[C@@H]1C	20553668	BIGOQFJFFTWHDP-ZFWWWQNUSA-N	231.383	4.801	0	10	BJAE	
CCCCCC[C@@H](C)NC1[C@@H](C)CCC[C@@H]1C	34995406	XVQKMAGDYWOSMJ-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)Nc1ccccc1OC(C)C	69375759	IKUXRQACXHAJIG-AWEZNQCLSA-N	249.398	4.855	0	10	BJAE	
CC1=CC[C@H](C(C)C)c2cc(C)ccc21	70455184	CUUMXRBKJIDIAY-CYBMUJFWSA-N	200.325	4.542	0	10	BJAE	endogenous,in-man
CC[C@](C)(CCC(C)(C)C)CNC(C)(C)C	71128197	VUXDQEXYHNHDCF-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)c2ccc(C)cc2C)C1	71153837	UIXICQGBCYGSKQ-INMHGKMJSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCCC[C@@H]1CC	71160898	YCVSPGQWOCZAQZ-OWCLPIDISA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccc(C(C)(C)C)cc2)C1	80425974	FKPCKXREXARYFA-BBRMVZONSA-N	245.410	4.975	0	10	BJAE	
CC(C)c1ccc(O[C@@H]2CCC[C@@H](C)C2)cc1	85151402	ULVCEJOMQSJCIA-CZUORRHYSA-N	232.367	4.768	0	10	BJAE	
CC(C)CCCN[C@H]1CCC[C@@H](C(C)C)CC1	86944733	OVSUQEDSFJAUOI-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCS[C@H]2C)cc1	94475455	DXHWTYJRPRNNJA-SWLSCSKDSA-N	249.423	4.506	0	10	BJAE	
CCCC1CCC(N[C@H](C)C(CC)CC)CC1	104438400	FWEUXQLQEJYZGP-VQCLRJIVSA-N	239.447	4.760	0	10	BJAE	
C/C=C\C[C@@H](C)c1cc(C)c(C)cc1F	107566887	SQDNQHQFVQEKBY-WWQCOOJYSA-N	206.304	4.512	0	10	BJAE	
CCC[C@H](CC)NC1CC(C)(C)CC(C)(C)C1	124795102	SQMOJHOCFMIEBZ-ZDUSSCGKSA-N	239.447	4.760	0	10	BJAE	
CC(C)c1cnc([C@H]2CCC[C@H](C)C2)s1	132187768	KOOKNCOYOSTHPZ-QWRGUYRKSA-N	223.385	4.560	0	10	BJAE	
Cc1ccc(O)c(-c2ccc(C3CCC3)cc2)c1	133625854	DUDWGGXYTUDUKL-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
CC[C@H](C)c1ccc(OCc2ccccc2)cc1	142117725	MHSKBTHCFREGAJ-AWEZNQCLSA-N	240.346	4.779	0	10	BJAE	
CCC(CC)C[C@H](N)c1ccc(C(C)C)cc1	148207537	KICNJZGMKXUHAJ-INIZCTEOSA-N	233.399	4.636	0	10	BJAE	
Cc1ccc(N[C@H]2CCC(C)(C)C[C@H]2C)cc1C	155817518	AQEOZGDCJYZSLJ-ZBFHGGJFSA-N	245.410	4.930	0	10	BJAE	
CC[C@H](C)C[C@@H](N)c1c(C)ccc2ccccc12	167364485	LZRQAUMFCKWLFN-BLLLJJGKSA-N	241.378	4.584	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@H]1CCCC1(C)C	226819918	LWESWRZIKXUWMJ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1CCCC1(C)C	226819922	LWESWRZIKXUWMJ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)[C@@H]1CCCCC1(C)C	226827760	JCCBLOIGRGKRJC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)CCC1CCCC1	228681289	YUKMICWOELBLPZ-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)c1ccc(C)cc1C	229330057	YNMRQUFMFQQURQ-UAGQMJEPSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@H](c1cc(C)cc(C)c1)C(C)(C)CC	229499825	NSJWGERSQIEUMF-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CCC[C@@H](CC(C)C)C1	230793971	HFWFJRKOLIXUMK-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)Nc1ccccc1C(C)C	233284642	ZMMABGUQIXHODE-CYBMUJFWSA-N	219.372	4.801	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)C1(C)CCCCC1	233336208	DUEMYSVMSNNGLH-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C1=CCCCC1)C1CCC(CC)CC1	233565608	FWWLNBOPYBFSSR-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c2[nH]cc(CC3CCCC3)c2c1	235984042	LQLOCRTYTDDNHR-UHFFFAOYSA-N	227.351	4.517	0	10	BJAE	
CCCCCC[C@@H](C[C@H](C)CC(C)C)NC	300871129	HORGIONLLXCFGX-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CCCNc1cc(Cl)ccc1F	300919858	TUAOGNUWFNCAEZ-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
C[C@H](CCNCCCC(C)(C)C)c1ccccc1	302278094	IQFHMBWKKKVWPS-OAHLLOKOSA-N	247.426	4.596	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1C[C@H](C(C)(C)C)CCC1=O	304580132	YHDRFSKSFZHQKQ-BFHYXJOUSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@H](C)CCC[C@@H](N)c1ccccc1	305902316	BMKRMLJJDDYYOO-GDBMZVCRSA-N	233.399	4.539	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1CCCC(F)(F)C1	305997289	MZNGATPIGHWGAM-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1(CC)CCC1	308103346	HLSUYDQDWKHORP-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1ccsc1Cl	308351348	DOVPNDUNINPVGP-GXSJLCMTSA-N	246.803	4.651	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1NCC(C)(C)C1=CCCC1	308761100	ZKERYRYMSWRPCS-YCPHGPKFSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CC2CCC(C)CC2)C1	310310953	DTYPJRCLEJKNCC-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
CCCNCC[C@@H](C)CC1CCC(C)(C)CC1	310535083	QYHOGKDUNBVYNT-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@]1(CC=C(C)C)CCC[C@H](C)C1	317707507	IAGNZUVZBGETIA-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@H]1CCC[C@@H](C)C1	318303458	NCTHVZKXKXHGBQ-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)C[C@H]1CCNc2ccccc21	319549373	GMVUTAFEVDYJCV-MELADBBJSA-N	231.383	4.658	0	10	BJAE	
N[C@@H](CC1CCCCC1)C(C1CCC1)C1CCC1	380675076	NNJNRGYETZLUJR-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
C/C=C\CCN[C@H](c1cccs1)C1CCCC1	382982212	GHLGNONXSVYHPI-GWQWAINWSA-N	249.423	4.535	0	10	BJAE	
Cc1ccc([C@@](C)(N)CCCCCC(C)C)cc1	383151297	HPNCOTMHNUTAQJ-KRWDZBQOSA-N	247.426	4.775	0	10	BJAE	
CCc1ccccc1OCCCCCC(C)C	383233780	HSFUPWOKRIAGBT-UHFFFAOYSA-N	234.383	4.844	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@H]2CCC[C@@H](C)C2)CC1	383345994	SYUZYWMMZDFRKC-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)NCC1CCC(C)(C)CC1	383930170	SMDIXYZNCULUGD-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](NC)c1ccc2ccccc2c1C	384749348	RYHAFOCVEGYXCB-KRWDZBQOSA-N	241.378	4.599	0	10	BJAE	
CC1(C)CC[C@H](CN)[C@@H](CCC2=CCCCC2)C1	384942758	KFDHFYPSNHAWLY-JKSUJKDBSA-N	249.442	4.668	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CCCC[C@H]2C)cc1C	385024597	OXDUOLDVQFYODG-IAQYHMDHSA-N	244.378	4.621	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCC)[C@@H]1C[C@H]1CC	387831987	YGPZHIIMICYYLX-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC(=O)CC1CCC(C)(C)CC1	390277613	UGDAVBRQXMMEID-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](NCC1(C)CCCCCC1)C1CC1	394584936	FTGYIDAQUFDIAP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C1(C)CCCCCC1	394617848	VZAXNVICZGBDDD-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](Nc1c(C)cccc1F)C1CCCC1	395538461	KYGTYDFNXPLNMA-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CCc1ccc2c(C)c(C(F)F)sc2c1	396218293	IYRCIUBSSWYKTI-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CSc1cc(F)c2sccc2c1C(F)F	396232769	CUFYDBGMCXBQMB-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1ccc(C(F)F)c2c(S)csc12	396239069	KBLDIRAYMIQJRO-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CSc1sc2c(C)cccc2c1C(F)F	396400936	DNLFWTXVLYEVMK-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCc1cccc2ccn(C[C@@H]3CC=CCC3)c12	402331014	ORLGCJGMRYBOOZ-CQSZACIVSA-N	239.362	4.560	0	10	BJAE	
CCCc1ccccc1-c1cc(C)cc(O)c1C	686550588	AEYWARKCCUHVKK-UHFFFAOYSA-N	240.346	4.629	0	10	BJAE	
CCCCC[C@H](C)Nc1cccc(F)c1Cl	690268786	UQXKUZYQEUFJNI-JTQLQIEISA-N	243.753	4.860	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@@]12CCCC[C@H]1C2	693247026	TXAGMORUQLPHKQ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCNc1cc(Cl)ccc1F	696755837	GHGJSOBVTVVVLK-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCCC[C@H]1CNC	696807504	SCQQSLJUPAPADD-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccc(C)cc1Cl	704532436	WPCKDQWWWQYIPH-FZMZJTMJSA-N	240.774	4.508	0	10	BJAE	
CC(C)C[C@@H](C)Oc1cccc2sccc12	705065727	JVTYVRPCWFIDIM-LLVKDONJSA-N	234.364	4.715	0	10	BJAE	
CCCCc1ccc(N[C@H](C(C)C)C2CC2)cc1	705311701	UHDRZLVYGXBTRC-QGZVFWFLSA-N	245.410	4.876	0	10	BJAE	
CC1(C)CC(CN[C@H]2CCCCC23CCCC3)C1	706511382	JJYDJCVKZZSOIN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC[C@H]1CC=CCC1	706891624	XGWSNWLGASTNOZ-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCCC[C@H]1C(C)C	707577756	RKLBMKXOIJWAJQ-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1C[C@@H](C)CC(C)(C)C1	708251492	ALNBJQQUPRFBLI-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CCC1=CCCCC1	709118471	OZOBYZYTBJZRSD-CYBMUJFWSA-N	236.399	4.908	0	10	BJAE	
Cc1cc(N[C@H]2CCC(C)(C)C[C@H]2C)cs1	710757418	FMDQOMJKDVVXFR-MFKMUULPSA-N	237.412	4.683	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@H](CC)C(C)(C)C)NCC	711071965	PPIHKSNTQHXHAK-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](C[C@H](C)C(C)(C)C)C(=O)c1ccccc1	711208386	OKAHDJQRZINGGB-STQMWFEESA-N	232.367	4.578	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1C[C@H]2CCCC[C@H]21	712389069	NAEBNPXEDKMIOK-LALPHHSUSA-N	249.785	4.639	0	10	BJAE	
C[C@H](CN[C@@H](C)CC1CCCC1)CC(C)(C)C	712596824	KKUWRGNMIGIEHE-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCC(=O)C1CCC(CCC)CC1	713727216	XIANAROFULWWLI-AATRIKPKSA-N	234.383	4.684	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1ccc(F)c(C)c1	718526280	LAAHHUIYMZURPB-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1[C@H]2CCCC[C@H]21	718637294	ZPNJGBBEKDNTOJ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H](CCCC(C)(F)F)NCCC	718721969	KQZSLTPSPJXIHN-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
CC(C)[C@@H](C)[C@@]1(CNC2CC2)CCC=CCCC1	719048420	ODPGLSAAJXLEFI-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](CCCC)O[C@H]1CCCCO1	888084899	LVTOCUCQTUTNHU-CABCVRRESA-N	242.403	4.669	0	10	BJAE	
CCN(C[C@@H]1CCCC[C@H]1C)c1cccc(C)c1	1615919638	CSUNKWBPPOUFSK-CVEARBPZSA-N	245.410	4.648	0	10	BJAE	
CCCC[C@@H](C)N(C)Cc1ccc(C2CC2)cc1	1652598865	WVODSGNXRXMPBY-CQSZACIVSA-N	245.410	4.575	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)CC1CCCC1	1900695726	HVKZYMLESRPSGH-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Oc1ccc(Cl)c(F)c1	1901681775	HRHBDLTUPMZCTI-VHSXEESVSA-N	244.737	4.539	0	10	BJAE	
CCc1cscc1NCCCCC(C)(F)F	1902381305	LVHWLRPJMGWQAJ-UHFFFAOYSA-N	247.354	4.548	0	10	BJAE	
CCCNC[C@H](CCC)C[C@@H](CC)CCC	1905368011	DCFSPCLQUZHOCQ-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CCC=CCN[C@H](C)c1ccc(C(C)(C)C)cc1	1911824128	OHELQJVTTVYSEF-CQSZACIVSA-N	245.410	4.601	0	10	BJAE	
C=CC=CCC[C@@H](NC)C1(CC(C)C)CCCC1	1911885716	UEUBTBDPNUNHLU-MRXNPFEDSA-N	249.442	4.703	0	10	BJAE	
C=CC=CCC[C@@]1(CNCC(C)C)CC[C@H](C)C1	1912070382	SSEKKQITWHZBHK-DLBZAZTESA-N	249.442	4.561	0	10	BJAE	
CCCNCC(=C[C@@H]1CCCC[C@@H]1CC)CC	1912094857	MQNUTDBDVJCIPL-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
C1CCCC(NCC2CC3(CCCCC3)C2)CC1	1912563744	MCTDTCAPHLFITE-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@@](N)(CCC1CCCC1)c1ccc(C)cc1	1919459942	WXOJYLSWPBTEOR-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CCCC1CC([C@H](N)CCCCCC2CC2)C1	1921286289	IVJPAZRVBBKVHT-UYSNPLJNSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)NC[C@@H]1CC[C@@H]1C[C@H]1C=CCCCC1	1925889342	ARUDSBSTJWXAFC-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1CC(=O)CC(CC)CC	1926178482	SZNVQCRHFDQPIK-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C[C@H](C)C(C)(C)C	1940864579	QHQGJHXXAIGMAV-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1CC1(C)C)CC(C)C	1940872654	NYEPZZDLIAXFIP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)cc2c3c([nH]c12)CCCCCC3	1941017052	SQQVFPZOJOXXDA-UHFFFAOYSA-N	247.769	4.789	0	10	BJAE	
CC(C)(C)C1CCC([C@@]2(C)CCC(=O)C2)CC1	1941160943	VHJRWCHUDZWIMI-ZUEPYMLJSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)C1=CCCCCCC1	1941265721	XAZJRYAIKFTZHC-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C(=O)C[C@@H](C)C1CCCCC1)C(C)C	1941267270	PVSNWZVHIMTSSJ-HIFRSBDPSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@](O)(CCCCCC1CC1)C(C)(C)C	1941574235	YHRMLIPCYCBTHJ-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(F)c1ccc(N)cc1	1942657663	FSOAWPAJNDKMRD-WFASDCNBSA-N	237.362	4.526	0	10	BJAE	
CCN[C@H]([C@H](C)CCC(C)C)C1(C)CCCC1	1942660406	LSDHRZSDKDUUOV-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@@H]1CCC[C@H]1C	1944850911	YQBXZKNNOIBRCE-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H]1CCC(C)(C)C1	1945592028	LMALEYWZNKQZDU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CNCCC12CCCCCCCCC2	1947879823	DELLXXBIXILATE-HNNXBMFYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@@H]1C1(O)CCCCCCCCC1	1947881915	UOGGAEBJIZUFOF-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)NCCC1(C)CCCC1	1948327525	PRAXUMRCZKTXFR-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@]2(N)CCCC[C@@H]2C(C)(C)C)CCC1	1948973729	YLSBDFMPRPYMON-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@](C)(N)CC1CCCCC1)C1CCC1	1949037366	LACAOTZSVAPICZ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@@H](O)CC1CCCC1	1949870296	OIYZTHPFSMQDAY-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CCC2CCC2)CC1	1950912749	AJRSDDWOIIAXMP-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@H]1CCCC(C)(C)CC1	1950915314	ZIBUYKDBOMVADL-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CCCC(C)(C)C	1950968260	IAXMOMVREKMFIS-ZNMIVQPWSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CC[C@H]3C[C@H]3CC2)CC1	1966012230	PXCWOYYYIDCMFU-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCCCC1CC1	1966209111	IGVLYFWHSISGMH-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC[C@@H]1CC12CCC2	1967757738	ZDELTXDRBBPCIZ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC2(CCC2)C1)C1CCC1	1969867780	ZKOAUINWVGGEQA-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@@H](CNC2(C3CCCC3)CC2)C1	1970495641	DEJFBZNZYHNXML-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)CNC[C@@H]1CCC[C@@H](CC)C1	1973163734	IXEDXGRHCUWSIF-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H](n2c(C)ccc2C)CC1	1976403533	VUMALARHXRIDGW-CABCVRRESA-N	219.372	4.636	0	10	BJAE	
CCCCC(C)(CCCC)CNC(C)(C)C	1978651093	CAXXQPLEGUTOKW-UHFFFAOYSA-N	227.436	4.761	0	10	BJAE	
CCCC1CC(Nc2ccc(C)c(Cl)c2)C1	1984692269	LXIHEMMAMYDQHT-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(Cl)cc1	1986948330	NLFGBVZVDJBDBO-ZDUSSCGKSA-N	239.790	4.967	0	10	BJAE	
CCCCC[C@H](CC)NCCCCC1CC1	1990090447	BQXQNYKQIZLUEN-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC=C(CC)[C@H](CCCC(C)C)NCCC	1992048335	CADFHWXUQZZZMB-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1C[C@@H]1CCC	1992976219	FGXHUQNLYJRDCR-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)C[C@H]1CCC=CCCC1	1999995821	JDUUWDYFUKTOAA-HRCADAONSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2(C(C)C)CCC2)C1	2000194966	KXOQLJVGMNRHAK-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCN(C1CCCCC1)[C@@H]1CCCC(C)(C)C1	2000899539	BTSOSUABOWCVFF-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)C1CC(C(C)(C)C)C1	2002327918	LOPOFIZYSCRZJB-UWLZSVRSSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC([C@@](C)(O)CCC2CC2)CC1	2002926245	YZONUZVSELMZDZ-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@@H](C)C(C)(C)C)C1	2003016726	QFVYLDHEJREJCK-NYTXWWLZSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)[C@@H]1CCCC(C)(C)C1	2003018820	LEGRQAGXRDQBAK-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC1(C[C@@H](N)CC2(C)CCCC2)CCCCC1	2003178844	IFGKQQSYHKNZIH-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCCC)C(C)(C)F	2003241091	SHYBPLSNCXKZGI-ZIAGYGMSSA-N	245.426	4.709	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CCC[C@@H]1C(C)C	2007658509	BDJOKIVCCHUMOM-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@H](C)C[C@@H](C)CCO)CC1	2008725778	CYYNXDGBNJXCEP-QRNKSROTSA-N	240.431	4.638	0	10	BJAE	
CCC[C@@H]1CCC[C@@]2(CCN[C@@H]2CCC)CC1	2009061190	YSNCFHJCIXXCQP-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCC1(CC)CC(O)(C[C@H]2CCC[C@@H](C)C2)C1	2009298239	GTYFCHPBLSBLGX-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@H](N)C1CCC(C(C)C)CC1	2009576893	LCYDULZOSPGBTB-MKHQPZQGSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C)CC1)C(C)(C)CC	2010628193	ZHLJFLZNTPLEAJ-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)C1=CCC(C)(C)CC1	2010716357	FDIGEVQUGITWNB-CJNGLKHVSA-N	238.415	4.556	0	10	BJAE	
CSc1cccc(CC2CC(=C3CCC3)C2)c1	2011084939	JNLKLRJGJHLMTA-UHFFFAOYSA-N	244.403	4.842	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011976734	PWXBNNIZFNRQSC-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(O)C=CCC(C)(C)C1	2012055413	BKQUKMXQOUCFPV-XJKSGUPXSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](CC)CCC(C)C	2013262923	DUIVOCIPNBDTHS-OAGGEKHMSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCCCC[C@@H]1C	2013265404	WGIVZWZVEXNFQW-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@H](C)C1(C)CCCC1	2014336132	BFYJFXHGGTZYKF-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](C=C1CCN[C@H]1C(C)(C)C)CC	2014550595	UBJSRLQWNSDEBE-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC(C)(C)C)CCC1(C)C	2014848148	CDCINAZXENCHQE-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(N)[C@@H]1CCC1(C)C	2014876083	FVHVFMNETATYFD-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(O)CCC1CCCCC1	2014903610	UBHMZJGJNXMUFD-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(CCC(N)(C(C)C)C(C)C)C(C)C	2015359855	GARKGDDSDQICHZ-UHFFFAOYSA-N	241.463	4.704	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(N)CCCC[C@H]1C(C)(C)C	2015393242	BMRJHILOAPBINL-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@H](N)C2(CCC)CCC2)CCC1	2015598273	SCUYZPNKGQLJPM-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCNCC1(CC2(CCC)CCC2)CCC1	2015641959	KSDNFZKEGOWSHZ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C)CCC=C(C)C	2016150095	PUSSXQNPASMUDY-XHSDSOJGSA-N	237.431	4.680	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1(C(C)(C)C)CCC1	2017098606	VJFQUPLCPWUITO-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCCC1CC(O)(CC2(C(C)C)CCC2)C1	2017116730	MXRDTLLOLKSYCT-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@H]2C=CCCC2)CCC1	2017128630	FJDGDCSAJNXVNV-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CCCCC1CC(N)(CC2(C(C)C)CCC2)C1	2017143763	QPNQBBCNSMIHQO-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@H]1CC[C@H](C)CC1	2017650066	COHRQZZEURISRU-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@H](C)NC[C@H]1CC[C@H](CC)CC1	2017730598	IWJYEOMVKGSVGP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@]12CCCC[C@H]1C2	2018631729	DMBBQXWUSRYNCH-DZKIICNBSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CC1(CCC)CC1	2018993694	HBIGDFOZOLVIKB-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CC1(CC)CC1)NCC	2019008566	PCDQOLVVCHVQJY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCCCN(C)[C@@H](C)C1(C)CCCCC1	2019289338	AHSDGCLJSANGPZ-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCCCCCN(C)CC(C)(C)C(F)(F)CC	2019941312	NJWFGHPCPZGQMK-UHFFFAOYSA-N	249.389	4.570	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](O)C[C@H](C)CC(C)(C)C	2022467666	CRDBZQVAQGOCBJ-GBJTYRQASA-N	240.431	4.636	0	10	BJAE	
CCCCN(CCCC)C[C@@H]1C[C@@H]1C(C)(C)C	2022621680	XULFREJTAOSYIT-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CC[C@](N)(CCCCC(C)(F)F)CCC(C)C	2023344909	YXDSFLSCYXEJFR-AWEZNQCLSA-N	249.389	4.746	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@@H]1C[C@@H](C)CCC	2023609046	DROFOQOILFTQNY-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CC(C)(C)CC2=O)CC1	2023633133	SIGWKBUIXVLBQV-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@]2(C)CC2(C)C)C1	2024101315	JRMOZVCZVIPVNC-LRDDRELGSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(CCN[C@@H](CC)C[C@H](C)CC)C1	2025375434	WUOLKJHUVCTUIQ-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CC(C)Cc1csc(C2(C3CC3)CCCC2)n1	2026526971	NFGFYOKIUYYYJG-UHFFFAOYSA-N	249.423	4.563	0	10	BJAE	
Fc1cc(F)c2c(C3CCCCC3)coc2c1	2026603187	MMPNAUMIODKGBU-UHFFFAOYSA-N	236.261	4.759	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](C)N[C@@H](C)c1ccccc1	2027109772	ODMUZKLZCGSZKC-LSDHHAIUSA-N	247.426	4.654	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1coc2ccccc12	2028231756	HZFROODQQRJPGF-WBMJQRKESA-N	246.350	4.539	0	10	BJAE	
CC[C@@H](C(=O)c1ccc(C2CCC2)cc1)C(C)C	2028257247	HVRNNZSTWHXXQD-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
CC[C@H](C(C)C)[C@H](NC)c1ccccc1C(C)C	2028264341	OYIVHFMYUATFOV-PBHICJAKSA-N	247.426	4.753	0	10	BJAE	
CC1(c2cccc(C(=O)C3CCCCC3)c2)CC1	2028551312	DWBCCIXXYNHNJB-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1ccccc1C1CC1	2028562964	PTSVUYQXJNFWPA-RHSMWYFYSA-N	246.394	4.670	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)C1CCC(C)CC1	2028899583	ZONDXBUBYUTOTM-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1ccc(C2CC2)cc1	2029835220	DOMLQEBZOQGNRW-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](N)(CC2CCCCC2)C1	2030280065	SWWVEDIUEDQDLO-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCCC1CCC1)[C@]12CCCC[C@@H]1CCC2	2031758052	JEKXOVAWSRTDRD-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(N[C@]23CCCC[C@H]2CCC3)CC1	2031797878	HLHUKPJMAXAMOB-XGHPGWEVSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc2cc(C(=O)C(C)(C)C(C)C)oc12	2032307277	VEGAQPIBAKZEJM-UHFFFAOYSA-N	244.334	4.606	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@H]32)cc1F	2034265388	UHBKDJCZZJZHEE-XNRPHZJLSA-N	247.357	4.515	0	10	BJAE	
CCOc1ccccc1N[C@@H](C)[C@@H](C)CC(C)C	2036382431	LTOUXBCMTZJYIF-KBPBESRZSA-N	249.398	4.568	0	10	BJAE	
C1=C[C@@H](CN2CCCC23CCCCC3)CCCC1	2036782122	XTWIPCSHDOGJPU-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CCc1ccccc1[C@@H](N)C1(C)CCCCCC1	2037073238	WGASTEZMFRRCLG-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@@H]1CCC[C@H](C)C1	2037105349	ZSKUTJQNZYGAPF-MPTYRVRUSA-N	249.442	4.667	0	10	BJAE	
N[C@@H](C[C@@H]1CC[C@@H]2C[C@H]2C1)C1CCCCCCC1	2037131769	HGYKPUOUFDYNTJ-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]([C@H]1CCC2(CCCC2)C1)C1(C)CCC1	2037766277	IMTXDQOADWSKNH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN(C1CCCCCC1)[C@@H]1CCCC2(CCC2)C1	2041294518	XKAPYXNGQQWLFL-MRXNPFEDSA-N	249.442	4.754	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@]1(C)CC=CCC1	2042023696	DSFKBRBIIAHWDJ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@H]1CCC[C@@H](C)C1)[C@]1(C)CC=CCC1	2042028313	VTMUZMBMUUFJLJ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CNC[C@]1(C)CC=CCC1)C1CCCCC1	2042071738	JJFCVXPERRXYLU-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC(C)(CC(=O)CCC1CCC1)c1ccccc1	2042745624	XBWKSEXRHJYCAI-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(F)c2cccc(N)c2)C1	2045505176	FTXIPKNJCVPFJB-BBRMVZONSA-N	249.373	4.670	0	10	BJAE	
C1CCCCC2(CCC1)CCNC[C@H]2C1CCC1	2049669233	IBMYMNQOROICKX-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@H]1CC[C@H](C)CC1	2049680536	GKRJWDJQVGXKAS-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@@H]1CCC2(CC2)C1	2049855482	JLIYYEYIJKIQPZ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)C1CCCCCCC1	2053669005	YHNOFNFQKWRXFU-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC(C)(C)C)(C2CC=CC2)C1	2053695041	RKRKKMLNAVFMFJ-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@@H](N[C@H](C)c2ccc(C(C)C)cc2)CC1	2055841108	KBNYYIAJRBHIIR-PBHICJAKSA-N	243.394	4.569	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCC(C)(C)CC2)cc1	2056539995	SKVILWIFHSGMML-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CC=C(C)[C@@H](NCCC)C12CCC(CC1)C2(C)C	2056777054	OQQBQAGGQMGOHN-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1CC[C@H](C[C@H]2C=CCCCC2)[C@@H]1CC	2058731638	QDMJZMPUCDUMHZ-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCC23CCCCC3)C1	2058831262	JDWUTUHQIFBHRF-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CCc1cc(C(F)(F)F)cc(Cl)c1Cl	2060078389	BRAJHWMIQVDGJP-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C2=CC[C@@H](C(C)C)CC2)C1	2061089619	VAYNYOKXROBLRD-TXCZRRACSA-N	249.442	4.523	0	10	BJAE	
CCC1(C)CC(N)(C2=CC[C@H](C(C)(C)C)CC2)C1	2061121585	HNCAZIKYFJOFCD-IGEOTXOUSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNc1cccc(C2CCC2)c1	2062645717	HNXAXMRXWHHJDX-UKRRQHHQSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CC2(CC(C[C@@]3(N)CCC(C)(C)C3)C2)C1	2063204744	SUEQWBBXODPEQL-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063410255	QSBCXSKFQJENKK-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC1C[C@H]2CCC[C@@H]2C1	2063491626	SODVXMVHFPOPFF-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCC1)CC12CCC(CC1)CC2	2065309252	ZINNFEFARAHJAY-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)C2CCCCC2)n1	2066347751	UQNQMTAOYNPYRN-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)[C@H]1CCC1(C)C	2068230762	SEHQYNIIKUVWPO-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@@H](O)CCC(C(C)C)C(C)C)c1	2068822717	LYFXNSQCHMQKNH-KRWDZBQOSA-N	248.410	4.737	0	10	BJAE	
CN(C[C@H]1CC12CCC2)C1CCCCCCCC1	2069137266	XNGBCMYTEJLYOD-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1CC2(C1)CC21CC1	2072229965	VVBJKWHWWLTQFL-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)c1ccccc1C(C)C	2072422757	DJSCWANLXLTUAR-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H](C)c2ccco2)CC1	2072682370	ULNNOKNBGMWZOS-KKUMJFAQSA-N	249.398	4.537	0	10	BJAE	
CCCC1CCC(C=C(C)[C@H]2CCCCN2)CC1	2072816404	UYRPZDZBULMRRG-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)NCCC=Cc1ccccc1	2073284945	HKFFRUZYNKNQTH-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
CC1(C)CC2(CC([C@@H]3CCCC(C)(C)C3=O)C2)C1	2076441375	LRDCJWNWJZXVMM-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CCCCN(C[C@@H]1CC12CCCCC2)C1CCC1	2076758896	XDMZAKKJHJOOPO-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@@H]2C[C@H]2C(C)C)cc1	2079387599	XUOZIRFPRUWNPJ-SJWGOKEGSA-N	246.394	4.526	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](C[C@H]1C=CCCCC1)NCC	2079437927	DSNZPUBRKUVEQV-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1cccc(C2CCC2)c1	2079477445	UAPFBTQYDIEEBU-GDBMZVCRSA-N	242.362	4.573	0	10	BJAE	
C1CCCC([C@@H]2C[C@@H]2NCCC2CCCC2)CC1	2079529516	MALCRMUXZLYZAL-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
NC1(C[C@H]2C[C@H]2C2CCCCC2)CCCCCC1	2079672349	VYTNQKRDUHKVNQ-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCCCC1CC(N)(C[C@H]2C[C@H]2C2CCCC2)C1	2079830827	GRKYOQZIXSSTHB-YTWPKEEVSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)C2CCCCCC2)c1	2082941080	BZCJLPGCGSXUFC-QGZVFWFLSA-N	246.394	4.616	0	10	BJAE	
CCN[C@H](CC1CC(CC)C1)C[C@H]1C=CCCC1	2084996315	VFUUSZQVZSRVCF-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
F[C@H]1CCCC[C@H]1CC=Cc1ccccc1	2210661935	HLHBNKHEWQIERQ-GJZGRUSLSA-N	218.315	4.618	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CC1(C)CC(C)(C)C1	2215395212	WWHLMDBCSQKQQN-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CCCCC(F)F	2216466830	ARQKTJJEFAXSMI-TZMCWYRMSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H](C)NCC1(CC(C)(C)C(C)C)CCC1	2217150114	WSNRHSBQGTXBIN-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H]1N1CCCC12CCC(C)(C)CC2	2218015225	PZLPRMMDDRMEJO-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CC[C@@](N)(CC1CC1)CC1C[C@H]2CCC[C@H](C1)C2	2218362206	VBTOUPVRNRRRFM-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC1CC(CC2CC2)C1	2218560396	FCSDGAYBWWDHDF-MNAZLIDISA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCCCCCC1CC1)CC1=CCCCC1	2218719357	XXKRQMRGEHVDCB-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1ccccc1C(C)(C)C	2220925249	BZIPBYKEWZSDNR-KBPBESRZSA-N	245.410	4.832	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)C2(C)CC3(CCC3)C2)C1	2221017514	UZVFYKKSUUDZBB-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@H](CN[C@@H](C)C2(C)CCCCC2)CC1	2221619441	QMCPYSRAUGKBSS-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)(CNC2CCCCCCC2)CC1	2221644983	VTQMICLJSPCPPT-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)CC1	2221645404	XUADPHWPYNBNOW-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C)c1ccc(F)cc1C1CCCCC1	2221803637	XOGHVOOIBHCTEA-GFCCVEGCSA-N	249.373	4.544	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC2CCC2)CC=CC[C@@H]1C	2223538440	AZNOYJFZOUSAFH-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1cccc2ccoc12	2224159228	SANRRJBVURLMSY-AWEZNQCLSA-N	245.366	4.649	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@]2(C)C=CCC2)C1	2246672483	ZPUKSPXCPFXYIP-IJEWVQPXSA-N	234.383	4.518	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCC[C@H](C)C1)CC1CC1	2246732710	NBSDSQILNGXIPH-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H]1CC[C@@H](C)C1)NCC	2250355628	MAEGEXKAHFIWEW-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCC1=CCCCC1)NC	2250356240	DIUSMIBKGDGYCM-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cccc(C(C)C)c1	2250370946	JVQQBJJFRMVYOZ-CYBMUJFWSA-N	232.367	4.819	0	10	BJAE	
CC(C)CCC[C@H](C)CCCCCNC1CC1	2250469356	NTXRGCZRHXCTFT-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(C)CC[C@H](N)C1	2250486867	UVKIFOSWCQXUQD-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1	2253934110	GAJYYFDQYYKBEE-NBFUAULTSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CC23CCCCC3)C1	2253972733	XLNGCGFVFORVEQ-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)c1ccc(F)cc1	2254540524	XTNSHZYKNJNLNI-JSGCOSHPSA-N	248.341	4.615	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCCC[C@H]2C[C@H]2C)c1	2254592682	NWRLYAOPBILMLE-HLLBOEOZSA-N	245.410	4.520	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@@H](CC2=CCCCC2)C1	2255140352	LCIBSGJYKFGZRQ-DJIMGWMZSA-N	249.442	4.668	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)CC[C@@H]1CCCC12CC2	2255278309	MSYPCQOAEWVZAN-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
C[C@]1(C(=O)CC[C@H]2CCCC23CC3)CC=CCC1	2255310085	DWWCURLSHDWUMR-ZBFHGGJFSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CCCC23CC3)C1	2255335953	CSFJNLXJINRMFI-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1CC([C@@H](C)Nc2cccc(C(C)(C)C)c2)C1	2257903513	DADWARCMKKWEHZ-ROKHWSDSSA-N	245.410	4.831	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1cc(C2CC2)ccc1F	2259126234	MBEAVTIJSUCPNV-ABAIWWIYSA-N	247.357	4.694	0	10	BJAE	
CC[C@@](N)(CC1CC2(CC(C)C2)C1)C1CCCC1	2259574904	YZWJCNCLFBPZPS-UJCFSERGSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)C[C@@]23CCCC[C@@H]2CC3)CCCCC1	2260580968	YDVXMDMIALMSTL-PBHICJAKSA-N	248.410	4.886	0	10	BJAE	
CCN[C@@H]1CC(C)(C)C[C@H]1CCC(CC)CC	2300685197	BZZPVURCWXBOIG-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CC(C)(C)C[C@@H]1CCC(CC)CC	2300685198	BZZPVURCWXBOIG-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1(CNc2cc(C3CC3)ccc2Cl)CCC1	2300692828	LJDVGMDJGKXPOQ-UHFFFAOYSA-N	249.785	4.820	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCCC[C@@H]1CC	2300705505	FDYVWKBJYACDIP-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](C)CCNCC=C(C)CCCC(C)C	2300861132	OHKMALTXXDVLKN-OAHLLOKOSA-N	239.447	4.785	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H](N)CCC1CCCCC1	2301954228	XZMWZUBDLJGMGP-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CCCCCCc1cc(C=O)cc(C(C)C)c1	2302224298	DKUQBIGEHBPJDB-UHFFFAOYSA-N	232.367	4.745	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@@H]1CC[C@H]1C(C)(C)C	2303402636	UDTKRFPMAWKKCQ-LXTVHRRPSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](O)CCCC2CC2)C1	2304387710	PVPAORLWKNSUTE-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C(=O)CC[C@H]1CCC(C)(C)C1)C1CCC1	2304434781	LCRNBFJCNOHQPR-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC/C=C/CNc1cccc(C(C)C)c1F	2307571997	TVAZWRQHGKWCMM-VOTSOKGWSA-N	235.346	4.717	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C[C@H]1CCC12CCC2	2307908783	QZOFHQQGNQBTLJ-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCC[C@@]12CCC[C@@H]1C2)CC1CCCC1	2310388282	WEAWZKZFOQPAFN-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1C)C1=CC[C@@H](CC)CC1	2310972083	ZZKAVSVEVWXFDE-JHNDHUHGSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H]1C1CCCCCC1	2311538934	OIELQVCRQCJINF-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@H](C)CCCC(C)C)c(C)c1O	2315948679	AUMCLCZWLBIKCD-CYBMUJFWSA-N	249.398	4.636	0	10	BJAE	
CCC(CC)CC[C@H](N)c1ccccc1C1CC1	2316234945	FRZGYWJKEMPRNK-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CC(=CC[C@H](N)C1C[C@H]2C[C@@H]2C1)CCCC(C)C	2316509567	IVIAIVGWGJLMQH-INMHGKMJSA-N	249.442	4.523	0	10	BJAE	
CC(=CCc1ccnn1C1CC1)CCCC(C)C	2316572169	AGBMYUSPFXZNDW-UHFFFAOYSA-N	246.398	4.533	0	10	BJAE	
CC1(CCCC(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316739449	ROKSJHNUOZSOBK-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CCNCCC=C(C)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316938858	IUPGGOZOKRSYKK-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@H](C)C(C)C)c1ccc(C)cc1	2317629215	GMLPZLZHGCAXKT-VYDXJSESSA-N	247.426	4.716	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cc(F)ccc1C(C)C	2317914733	FVGTUHTUIQYZRC-WFASDCNBSA-N	249.373	4.940	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@@H]1CC=CCC1	2317973973	GKKHFIYNGOVPTQ-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C[C@H]1CCC(C)(C)C1	2319028153	AMUWQIIVTPBOPW-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(=CC=C[C@@H]1CCCC[C@H]1N)CCCC(C)C	2319205554	XGVCYSSPGZJISL-DLBZAZTESA-N	249.442	4.833	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCCC[C@@H]3C[C@@H]32)CC1	2319344147	BRDICFWFUBRINB-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC[C@@H]2CC[C@H]2C2CC2)CC1	2319731430	UEZKUOLBZAAMMD-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CC[C@H](N)CC2CCCC2)CC1	2320335793	CXMGNNFWVQNNJG-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C(=O)Cc1cccc(C(C)C)c1)C(C)C	2320654178	UJJHCCILXOUHJU-INIZCTEOSA-N	246.394	4.604	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c1F	2327765638	SMSFHPXKIPCDSV-JHJVBQTASA-N	247.357	4.550	0	10	BJAE	
CC(C)c1cccc(NC2CC(C(C)C)C2)c1F	2327811260	HONXZRRZAXUARF-UHFFFAOYSA-N	249.373	4.796	0	10	BJAE	
CCCCc1ccc([C@H](C)N[C@H](C)C(C)C)cc1	20522502	XZVNWCAZQLCZFD-CABCVRRESA-N	247.426	4.724	0	10	BJAE	
Fc1ccc(NC2CCCCCC2)c(Cl)c1	20595247	AEKHKBISIKIGJF-UHFFFAOYSA-N	241.737	4.614	0	10	BJAE	
CCN[C@H](CC1CCCCC1)c1ccc(C)cc1	35541005	GQQHDEJADWUNHC-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCCCCC[C@H](C)Nc1cccnc1Cl	36982789	YYOLKIQXXUOKNR-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)C2CCCCC2)c1	37245530	MFPCFLGCLBKFGW-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@@H](C)N[C@H](CCC)c1ccccc1	37300063	LBACNHKZRMDSSE-GDBMZVCRSA-N	233.399	4.696	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@]1(O)C1CCCCC1	37375838	WCECNQGRKDDDOY-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](Nc1cc(Cl)ccc1Cl)C1(C)CC1	37467572	QTEZZRSUVRGJCE-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CC2CCCC2)cc1	38137895	DTCCCTMORHUUFY-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CCCc1ccc([C@H](NCC)[C@@H](C)C(C)C)cc1	70123351	QZSKKGKKNNHOKL-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cc(Cl)ccc2C)C1	70747519	KTVLBYXBLLCQFC-YPMHNXCESA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)C1CCCC1	71104159	CFJXDOTYEBDZEH-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CCC)CNCC	71126875	JYQODBJYGYWYQW-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CC(C)C[C@@H](C)Nc1c(Cl)cccc1Cl	83847656	OKXIITVZAOZWPR-SECBINFHSA-N	246.181	4.840	0	10	BJAE	
CC(C)(C)CC(C)(C)N[C@@H]1CCCCC1(C)C	94277260	HVIPTUASXXHRNL-CYBMUJFWSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc([C@H](N)C2(CC(C)C)CCCC2)cc1	94899528	PNORQEJZMAYGGX-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC(C)CC1([C@@H](N)C2=CCCCCC2)CCCC1	94900982	GHLKOCHVCXLHDO-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CCC(=O)[C@H](c1ccc(C(C)(C)C)cc1)C(C)C	107537735	ULOODCFNGZVUEB-INIZCTEOSA-N	246.394	4.703	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1ccc(C)cc1	111817212	WMEWJAIWAOCCLP-ZBFHGGJFSA-N	234.383	4.635	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)[C@@H](C)CNC(C)C	133063553	ZUUSXQFKVLTNGM-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC(=O)c1ccc([C@@H](C)C2CCCCC2)cc1	169264099	ITZGDQAFKWHBND-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccc(C)c(Cl)c1	229616768	CYDMWZUAWJMSHG-BXUZGUMPSA-N	237.774	4.639	0	10	BJAE	
CCCc1ccc(N[C@@H](C)CC2CCC2)cc1	229671508	WVEKJOUDIHVJRF-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
CCN[C@H](C=C(C)C)c1ccccc1C(C)(C)C	229744246	CPIYFJIWFQJTPM-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CC1CCC([C@H]2C[C@@H](C)Nc3ccccc32)CC1	232821583	XYBFJCFOOZDMOI-YWIABWOTSA-N	243.394	4.801	0	10	BJAE	
CCC(CC)C[C@@H](O)c1scc(C)c1Cl	232863781	HGCBYPQGZQJIRA-SNVBAGLBSA-N	246.803	4.570	0	10	BJAE	
CCN[C@H](c1ccc([C@H](C)CC)cc1)[C@H]1C[C@@H]1C	251396402	YAICRLFAOSIYCQ-OSRSDYAFSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](Oc2ccc(Cl)cc2)C1	252164601	QHMLNEBPXYKBDH-YABSGUDNSA-N	238.758	4.544	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@H](C)C(C)(C)C)C1	253196187	SMYDACACDXCHEX-RFQIPJPRSA-N	238.415	4.700	0	10	BJAE	
CC[C@]1(C)Nc2c(Cl)cccc2[C@@H](C)[C@@H]1C	258217461	PALATFPEBGQPDQ-BHDSKKPTSA-N	237.774	4.674	0	10	BJAE	
C[C@H]1CCc2cc([C@H]3CCC[C@@H](C)C3)ccc2N1	300116309	MXCRLBWHVJHHBM-RDBSUJKOSA-N	243.394	4.727	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@H]1CCC[C@H]1C	300280787	XMDXCVSNUXCYFU-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CCC(C)(C)C)NCC	300812899	GALWTMPAUADANZ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc2c(Cl)c(Cl)cnc2c1Cl	300880805	MTLJLISFHYYICA-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CC(C)(C)CCCC1(N)CCCCCCC1	300965488	YZKQWNLLUVJMEX-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
Cc1ccc([C@@H](O)CCCC(C)(C)C)cc1C	302248588	BJIBOXRGHJNZFD-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
C1CCC(CC[C@@H]2CCCC[C@H]2CNC2CC2)C1	302261517	OOTYHYQUIVFFFC-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H](C)CCC(C)(C)C)C1	302523102	PNABLLQHXYTXRD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cccc(CCC)c1	304226261	ZJNQPNQFIHJFRY-ZDUSSCGKSA-N	232.367	4.648	0	10	BJAE	
CN[C@H](CCC[C@@H](C)CC(C)C)c1ccccc1	305901655	BFPOWGQZDNSBGU-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1ccc(C(C)(C)C)cc1	305968337	PLWMZUJPFGCBIH-CJNGLKHVSA-N	248.410	4.700	0	10	BJAE	
Cc1cc2cc(Cl)c(C(F)F)cc2s1	306898162	WFBWFARFHLFBOT-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCN[C@H](CC1CCC(C)(C)CC1)[C@@H](C)CC	310110386	FHMKJPRKRXOUAK-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@H](NC)c2cc(C)ccc2C)CCC1	381415075	ZLMSXJMKTAFSLX-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@@](N)(CCCCCC(C)C)c1ccccc1	383187474	OFLZRGODZGEYIJ-QGZVFWFLSA-N	247.426	4.857	0	10	BJAE	
Cc1ccc(N[C@H]2C=CCCCCC2)cc1C	383231349	RCSKAMOTFXNIHS-HNNXBMFYSA-N	229.367	4.604	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCCCC[C@H]1C	383257337	LFPGFOATYOMLJN-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(C)c1OCCCCCC(C)C	383291639	RAAFFABLEYLYCC-UHFFFAOYSA-N	234.383	4.899	0	10	BJAE	
C[C@H]1CCC[C@H](CC(C)(C)CNC(C)(C)C)C1	383506639	KKIRMHRAMBFMPE-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(=O)c1ccc(C2=CCCCC2)cc1Cl	390099902	OVERHDBKDFWPIN-UHFFFAOYSA-N	234.726	4.500	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](CC)C1CCCC1	395722660	OBBBBSLSTXSWDK-HZPDHXFCSA-N	239.447	4.904	0	10	BJAE	
CSc1cccc2sc(C)c(C(F)F)c12	396402293	GGJCSNGXCNVUHN-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@@H](N[C@H](C)CCC1CC1)c1ccccc1	398031266	JYAJPIIQVNCLPE-RHSMWYFYSA-N	245.410	4.696	0	10	BJAE	
Cc1c(F)cccc1C(=O)C[C@@H]1CCC[C@@H](C)C1	398989218	GUXVLMQHQFAZLQ-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccc3c(c2)CCCC3)C1	404627014	DKRWBLBLMMKKNT-CJNGLKHVSA-N	243.394	4.556	0	10	BJAE	
CCCNC[C@@](C)(CC)CCC(C)(C)C1CC1	405997810	OJQKOJWDYAFIGX-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC(C)(C)c1ccccc1	686655304	RXHVZYIAHCNXDI-OAHLLOKOSA-N	248.410	4.542	0	10	BJAE	
CCc1cc(N[C@@H](C)c2ccsc2)ccc1F	690093351	JYNLMUHFKIRBDC-JTQLQIEISA-N	249.354	4.623	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1ccc2sccc2c1	691832566	COPOOPWRSWOFTR-CYBMUJFWSA-N	247.407	4.598	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](CCC)C(C)(C)C	695063268	TXXAHDGSWGZGCZ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CCC1(O)CCC(C)(C)CC1	696801187	FJRFKESSJGKPBD-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCCC[C@@H]1C1CC1	704491498	MVEVZKDQRDBMBG-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@]1(CCC=C(C)C)CCC[C@@H]1C	704569878	HPPGBKLRJXYKQX-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](Cn1ccc2cccc(Cl)c21)C(C)(C)C	711146021	JLLMJAVJJFONMZ-NSHDSACASA-N	249.785	4.977	0	10	BJAE	
CC[C@H](CC(=O)CCC1CCCC1)C(C)(C)C	711187319	SBCIHURYBMMCBC-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
C[C@H](CC(=O)CC1CCCCCC1)C(C)(C)C	711220731	URUQEWBNUYEADQ-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
C1CCC(CC[C@@H]2CC[C@H]3CCCC[C@H]3N2)CC1	712299345	LFIVAPZXHLJQCN-BRWVUGGUSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C[C@H]2CCCC[C@H]21	712446629	WMQOTSLBUJCZJP-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H]1CCCC12CCCC2	712533256	GFVNGHMVRFLGQT-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
O=C(c1ccsc1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714433403	KLGGPBHFKMNLFC-IACUBPJLSA-N	248.391	4.537	0	10	BJAE	
CC(C)=C(C)CCCC[C@H](O)c1ccccc1	718554530	WWFNDYSMJDDQGZ-INIZCTEOSA-N	232.367	4.637	0	10	BJAE	
CC(C)CNC[C@]1(C2CCC2)CCC=CCCC1	718978957	MDZZMKIXWLNXDP-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CC[C@H]2CCCC[C@H]2C1	723616511	WRVMFUCEVIMGFM-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
Cc1ccccc1N[C@H](C)c1ccc(F)cc1C	815601322	SNKAGPVZJNGVBN-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCN[C@H](CCC)c1cccc(C(C)(C)C)c1	821963950	UHQWZTRLAAMVEE-MRXNPFEDSA-N	247.426	4.825	0	10	BJAE	
C1=CCCC(CNCCCC2CCCCC2)CC1	1660054894	AODKCKNPKHYBHI-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)CCCC(C)C	1660268037	MFNITLFZNHOLDC-UONOGXRCSA-N	227.436	4.616	0	10	BJAE	
Cc1cc(Cl)c(C2CC=CC2)c(Cl)c1	1893729145	GHZREGKHQIEVKJ-UHFFFAOYSA-N	227.134	4.735	0	10	BJAE	
CCC[C@@H](CC)CN(Cc1ccccc1)C(C)C	1893831532	MIZFZJGCDSLTOF-MRXNPFEDSA-N	247.426	4.723	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCCC1(C)CC1	1900582071	AOADRDPSUUYOOZ-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC(=CC[C@](C)(N)C(C)C)CCCC(C)C	1900879251	YADRISVWEOFALL-HNNXBMFYSA-N	225.420	4.523	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1CCC(C)(C)C1	1902297502	ZSPSBXCRBJUWSM-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCc1cscc1N[C@H](C)C1CCCCC1	1902390239	ITCKTNGWLXVEBI-LLVKDONJSA-N	237.412	4.691	0	10	BJAE	
CCCCC[C@](C)(O)S[C@@H]1CCC[C@@H](C)C1	1904836401	FCPDVCDBVHHGQR-MGPQQGTHSA-N	244.444	4.587	0	10	BJAE	
Cc1cccc(NCCC=Cc2ccccc2)c1	1911828879	FXGVOJDQKLMCCY-UHFFFAOYSA-N	237.346	4.510	0	10	BJAE	
CC=CCCN[C@H](CCCC)c1ccc(F)cc1	1912042562	UEKQJFQGSAJYHR-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCCNCC(=CC1(CCC)CCC1)C(C)C	1912056599	SMRQCJIMSQJILD-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@@H]1CC1=CCCC1	1913430752	OJJOEQNNKCDYLC-HZPDHXFCSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)N[C@H]1CCC2(CCCCC2)C1	1915856264	YHODIIUFRDLHFK-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCC[C@]1(N)CCC2(CCCCC2)C1	1915903713	YWELHOFQICHZQR-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@@H]1CC[C@@H](C)[C@H](C)C1	1920197881	PQMLNZRCKSFZGG-UYJHQMFVSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@](C)(N)c1ccc(C(C)C)cc1	1920458598	APQQFEUWHQQCJX-ZQIUZPCESA-N	247.426	4.666	0	10	BJAE	
CCC[C@H](C)[C@@](C)(N)c1ccc(C(C)(C)C)cc1	1920460365	IQFODDNHFOJBBC-SUMWQHHRSA-N	247.426	4.594	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C1CC(CC)C1	1921257671	OWZZLRPSEWUGKI-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)c1cscc1C	1938842690	LWFVWIZCNMSABC-OCCSQVGLSA-N	240.412	4.552	0	10	BJAE	
CCCCC[C@@](C)(O)CC[C@@H]1CCCC1(F)F	1940707434	XEWRRVDTPWXKNY-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CCCCNC(C)(C)C)C1	1943036588	LMXHEGHXVGICAJ-FICVDOATSA-N	239.447	4.617	0	10	BJAE	
C[C@H]([C@H](O)c1cccc2sccc12)C(C)(C)C	1945956904	GOEMBQIXFGTDNA-YGRLFVJLSA-N	248.391	4.617	0	10	BJAE	
CCCCc1ccc(NC2CC(CC)C2)cc1	1946978829	NHNLAGUPZCYQCN-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)[C@@H](C)CC(C)C	1948325064	DVBSJYIJXJTKES-HRCADAONSA-N	241.463	4.993	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)[C@@H](C)CC(C)C)c1	1948329370	ZJZURRIRUPXEGS-LSDHHAIUSA-N	233.399	4.786	0	10	BJAE	
CCCCCCNC1CC2(CCC(C)CC2)C1	1950545687	QRCAQIVIWAVUND-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC1(C)CC(N[C@H]2CCCCC23CCCC3)C1	1967857746	JKDURAHOLGFQIC-PCKAHOCUSA-N	249.442	4.658	0	10	BJAE	
CCC1(CC)CC(Nc2cccc(C)c2C)C1	1968249710	FDFVBOGQZOUPNN-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
CCC[C@H](C)CN(C)Cc1ccc(C(C)C)cc1	1968377699	ROCKNTVJVOBTLT-HNNXBMFYSA-N	247.426	4.678	0	10	BJAE	
CCC1CCC(CN(C)[C@@H](C)C(C)(C)C)CC1	1969046227	HMVVYSSJUOZJPL-NFOMZHRRSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCc2c(C)cccc21	1969351997	ZFBDRNLSNQSJBG-RHSMWYFYSA-N	245.410	4.541	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC1CC(C)(C)C(C)(C)C1	1969919991	ZJBQITZYNNCRPD-STQMWFEESA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC2(C3CC3)CCCC2)C1	1970876284	GKDQBQUJGGEVGY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCCCC(=O)[C@@H]1CCC[C@H](CC)CC1	1976343010	RXOFBQHQSHYSLT-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
FC1(F)CC=C(C[C@@H]2C=CCCCC2)CC1	1978194890	CKFRXBJVOHHQKY-GFCCVEGCSA-N	226.310	4.869	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC=C(C)C)NCC	1981002792	UISYYIYVCFRIMP-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CC=CCCC[C@@](C)(CCC)CNC(C)C	1984631861	GXSBLVOSRUDZKN-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](CC)CCC(C)C	1986946567	BSZTXSSXXCKSMY-SOUVJXGZSA-N	227.436	4.616	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@@H](C)C(C)(C)C	1988794941	ODXRTYWWJLCQOJ-HIFRSBDPSA-N	226.404	4.556	0	10	BJAE	
CC(C)C(c1nc(C2CCC2)cs1)C(C)C	1995468014	RJAVPQNCGXIZPT-UHFFFAOYSA-N	237.412	4.806	0	10	BJAE	
CCC(CC)N[C@H](CC)C1CCC(C)(C)CC1	1996592878	DNPJAYZBTZTPHU-OAHLLOKOSA-N	239.447	4.760	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1ccc(C(C)C)cc1	1996610940	NWZUETLFLMVJQW-OAHLLOKOSA-N	234.383	4.670	0	10	BJAE	
CCCC[C@@H](C[C@H]1CCC=CCCC1)NCC	1999991004	OCJRCYCLUPZZIX-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CC[C@@H]([C@H]2CCCC(C)(C)C2)C(=O)C1	2000098002	YAKGROWPFLYAMM-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CN(C)[C@@H]1CCCC(C)(C)CC1	2000896547	LSSLIBIHMDDSMY-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C1CCC(C(C)C)CC1	2002926794	RBQXBQAQMOMXDE-XUJLQICISA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC[C@H]1CCC2(CC2)C1)NCC	2003222134	UZWLFANVOJDDHJ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H](C)CNCC1(C)CCCCCCC1	2004938085	ZJMDEVRZEOVTMY-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(CN)CCCCC1(C)C	2005588729	HERJTLXRWKKEFV-ZBFHGGJFSA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H]1N[C@H](C)C[C@H]1C1(C)CCCCCC1	2009056812	OJIKVIFQUDRUAR-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCC(C)(C)CC[C@@H]1N	2009405075	UZWQTXCFKMNJNG-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC=CCCC[C@@H](O)c1ccc(C(C)C)cc1	2009592780	NXMDHOKKDOCIPQ-MRXNPFEDSA-N	232.367	4.590	0	10	BJAE	
CC[C@](CC=C(C)C)(CNCC(C)C)C(C)C	2012416729	MZWXZIBWWBVQHU-INIZCTEOSA-N	239.447	4.641	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(N)[C@H]1CCC1(C)C	2014879692	FVHVFMNETATYFD-WWGRRREGSA-N	239.447	4.602	0	10	BJAE	
CC=CCCC[C@H](C[C@H]1C[C@@H]1CC)NCCC	2016846237	BAZDKYGERNQHGH-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
S=c1cc[nH]cc1-c1ccc(C2CCC2)cc1	2017186070	VVMKWMZLJXZYTF-UHFFFAOYSA-N	241.359	4.679	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H](C)c1ccccc1	2019108758	RNEDSCOAZDCTCZ-LSDHHAIUSA-N	233.399	4.504	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@@H]1C=CCCCC1	2019534240	XZFXKUPJRKJWDF-HZPDHXFCSA-N	237.431	4.632	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1C[C@@H]1CCC	2022381598	FFHQZPGLZAPGQG-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H]1CCCC(C)(C)C1	2024102147	QCDYHKLPKUWBOH-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@@H](C(C)C)C1	2025586535	BLEYVBQORWOAQE-XUWVNRHRSA-N	239.447	4.616	0	10	BJAE	
Cc1oc(C)c([C@H](N)CC2(C)CCCCC2)c1C	2027311513	LJCQSDYONGKOOF-CQSZACIVSA-N	249.398	4.565	0	10	BJAE	
CC(C)[C@@H](NCCCC1(C)CC1)c1ccccc1	2027807091	BFTLXIGPQYTZQS-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CC=CC[C@]1(CCC(C)(C)C)CNC1CC1	2027927416	XDGBNDVVTZLNRP-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
NC1(CCCC2CCC2)CCC2(CCCC2)CC1	2028486635	VUEPAGMBYMXWAR-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CC(C)(C)CCCC(=O)c1ccc(C2CC2)cc1	2029077665	IWJMTFJGDODKAS-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCN[C@H](CC1=CCCC1)C1C[C@@H](C)C[C@H](C)C1	2030228507	BBINEUHFZHSFCF-GRDNDAEWSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1CCCCC1)[C@@]12CCCC[C@@H]1CCC2	2031754091	GXBQKZIJAMHKOV-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(CN[C@]23CCCC[C@@H]2CCC3)CC1	2031797112	BBOCXMJQTDHLMH-BACDZXNISA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C[C@@H]1CC1(C)C)c1cccc(C(C)C)c1	2032424254	OMIDNLGQMNNXRP-CVEARBPZSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C23CCC(CC2)C3(C)C)C1	2033434229	BLVUWPUTPQSAPM-YRFCHQJDSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)c1c(C)coc1C	2035533464	KXXJOTSKNIXHRL-OAHLLOKOSA-N	249.398	4.684	0	10	BJAE	
CCc1occ(C)c1C(=O)[C@@H]1CCC[C@H](CC)C1	2035538062	LJCHUGZMXWESDK-QWHCGFSZSA-N	248.366	4.550	0	10	BJAE	
OC1(C2=CCCCCC2)C[C@@H]2CCCCC[C@H]2C1	2035852891	OCPVAULASCLRAN-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C[C@H]3CC[C@H]2C3)CCCCCC1	2037076292	VJSFCCNYJCUMLZ-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCC1	2037132687	NEXMXWVHELUUOX-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@@H]1CCC[C@H](C)CC1	2039376049	QLUWMZZDKROFAD-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCCNCC(=C[C@H]1C(C)=CCC[C@H]1C)C(C)C	2039434645	KTGPNYRDYSTBCL-WBVHZDCISA-N	249.442	4.561	0	10	BJAE	
C=CC=CCC[C@@](N)(CC)C1CCC(C)(C)CC1	2040649177	ZLUKDQKQDFUHMO-KRWDZBQOSA-N	249.442	4.833	0	10	BJAE	
C[C@@H](N[C@H]1CCCC12CCCC2)C1CC(C)(C)C1	2043536395	ZQFALPISDAGZKY-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](C2(N)CC3(CCCCC3)C2)C1	2045383113	CXXODYVPNDYAPP-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048441864	RJUTVRXGJANKFN-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCC2CCC3(CCCN3)CC2)CC1	2048950377	JLRRXELUAXCIAC-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
N[C@@H]1CCCCCC[C@@H]1C[C@@H]1CC2CCC1CC2	2049677588	DXAOXVSEHJTUCB-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
O[C@H](CC1=CCCCC1)C[C@H]1CCCC2(CC2)C1	2049818532	FIZZUVRFNGYJKF-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@H]1CCC2(CC2)C1	2049845519	KUEKRZPVEBIFJI-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCC1CCC=CCC1	2050457084	YMCUPDSOOTVZAQ-KRWDZBQOSA-N	243.394	4.521	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)c2cccc(F)c2)C1	2050495581	VNPYSJDNODJQDC-LBPRGKRZSA-N	248.341	4.615	0	10	BJAE	
CC1([C@@H](N)C2=CCCCCC2)CCCCCCC1	2052475416	KSJJYOKVSOVOTK-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
CCC1(CC(=O)C2(C)CCC3(CC3)CC2)CCC1	2056540124	VQOPLNWGURQUFW-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](C[C@H]1CC=CCC1)C1(C)CCC(C)CC1	2056555927	BTZPULGMIHXEMN-YZUHTNEWSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1(CC[C@@]23CCC[C@@H]2C3)CCCC1	2061614441	VDNRQPUONLTTFV-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CN(CC[C@@]12CCC[C@H]1C2)C1CCCCCCC1	2061625337	DHAHMMOWTGLSAM-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)[C@]3(C)C=CCC3)C2)C1	2063210687	HUFJSWFZRPZQPE-MRXNPFEDSA-N	246.394	4.518	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C12CCCC1CCC2	2063822983	YOBHPVCSHRZJLA-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CC[C@@H](NC3CCCCCCCCC3)[C@H]1C2	2065665735	XBGWPTOQXBUXPK-BRWVUGGUSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](NC[C@@H](C)CCC)c1ccccc1	2066314506	TTWXGBPWIZMEJY-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@@H]2CC23CCC3)cc1	2069192030	CKYICQZCWOJXPT-AWEZNQCLSA-N	243.394	4.586	0	10	BJAE	
CC1(C)CCC[C@@H](CNC2(CC3CCC3)CC2)C1	2069585428	RAJDVYDRACBRDC-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@]1(C)Nc2cc(C)cc(C)c2O1	2070413435	LEEVGRYQGSKTKJ-MRXNPFEDSA-N	245.366	4.570	0	10	BJAE	
NC1(C[C@]23CCC[C@H]2C3)CCCCCCCCC1	2070959487	POHAQHSBFQMCOH-JKSUJKDBSA-N	249.442	4.789	0	10	BJAE	
CC[C@H](NCC1(C(C)(C)C)CCC1)c1ccco1	2071936272	LKWDSXPWMPVGMT-ZDUSSCGKSA-N	249.398	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2CC[C@H]3C[C@@H]3CC2)CC1	2072879363	TVAZBEQDMIXYCO-SDADXPQNSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C[C@]12CCCC[C@@H]1C2)C1(C)CCCCC1	2074021892	SVCCUCXPMHOKCE-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@]2(CNC(C)(C)C)CC=CCC2)CC1	2074626987	PZQZREHGJHMLEZ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC[C@H]2CCCC[C@H]21	2074896715	RCPHQJIKFOXTBH-WCXIOVBPSA-N	249.442	4.610	0	10	BJAE	
CC(C)c1ccc(CN2CCCCC[C@@H]2C)cc1	2074994485	WWABKPYNJIRNRN-HNNXBMFYSA-N	245.410	4.575	0	10	BJAE	
CN(CCC1=CCCCC1)[C@H]1CCC2(CCC2)C1	2075147672	WVKBGQPACVCJKH-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CC=C(CC)[C@H](C[C@H]1CCC12CCC2)NCCC	2077197133	PJCYLHPUISGJQS-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H]2C[C@H]2C2CC2)cc1	2079253872	AYWJNBRPYKTBIU-MJEQTWJJSA-N	243.394	4.658	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@@H]1C[C@@H]1C1CCCCC1	2079429419	WRLCGMFLUYAPCA-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)[C@@H]1C[C@@H]1C1CCCCC1	2079488240	UGOWFDDUKBUOCB-FVQBIDKESA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](C)C(C)=C[C@H]1C[C@H]1C1CCCCCC1	2079700472	JPLZSVQYFKGYFD-PVAVHDDUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C[C@H](C)c1ccccc1	2079867605	VJZYNCUPPGVILM-IMJJTQAJSA-N	244.378	4.576	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC1(N)CC(C2CCCCC2)C1	2079885109	KBWRPAXPUQMEJI-XNIRIUNOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1[C@@H](N(C)[C@@H](C)c2ccccc2)CCC[C@H]1C	2081137409	PJJDSINTRWOKDV-AESZEHBQSA-N	245.410	4.504	0	10	BJAE	
C(CC1(CNC2CC2)CCCCCC1)=C1CCC1	2081678601	YLPQPAQETGDYIL-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H]1CCCC2(CC2)C1	2081784788	GWNSKZGEVCQZTH-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@H](F)C2CCC2)cc1	2083781113	SLFSVPLZMRHIFA-HNNXBMFYSA-N	249.373	4.534	0	10	BJAE	
CC(C)c1ccccc1C(=O)CCC1(F)CCC1	2084728418	RDPGQADLSQVNSH-UHFFFAOYSA-N	248.341	4.665	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N(C)CCC2=CCCCC2)C1	2085284531	PDEBJULRVXGNCI-SJORKVTESA-N	249.442	4.633	0	10	BJAE	
CCCc1ccc(N[C@@H]2C[C@H]3CCC[C@H]2C3)cc1	2086152883	FWYHWYKWNDTQOH-YQQAZPJKSA-N	243.394	4.630	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCCCC1CC1	2211116959	CBUGSWOXMVFDEV-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1C[C@H](CC(C)(C)C)C1	2213118852	ONQLBASWKAQBQQ-SHTZXODSSA-N	237.431	4.537	0	10	BJAE	
O=C(CCCCC(F)F)C1CCCCCCC1	2216522078	MSHGYKBUTOMSOM-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCC(F)(F)[C@H](O)CCCCCCCC1CC1	2216861725	IEGLRCNZLBCBBN-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC[C@]1(C)C[C@@H]1NCCCCCCCC1CC1	2216861782	WOCVPVPEXYGFIF-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@](C)(O)CCCCCCCCC1CC1	2216876354	CQRQIQSJCJPVCS-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC(C)[C@@H](N)[C@H](C)CCCCCCCC1CC1	2216879863	NZOOGVXATQYQEC-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCCCC1(CN[C@H](C)CC)CCCCCC1	2217135860	HJHZYWOUESSFCB-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC1CC(CN[C@@H](C)CC)(CC(C)(C)C)C1	2217149217	HNHYQEJFZZFLCW-HLIUYOAVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CC1(CN[C@H](C)CC)CC(C)C1	2217154215	RRXXOLCDXODAFN-YHNBSYBMSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(F)ccc1CC/C=C/c1ccccc1	2219075776	HRVNCNZDLYWYSB-WEVVVXLNSA-N	240.321	4.780	0	10	BJAE	
CCc1cccc(CC)c1NCCCCC1CC1	2220031304	UAOKSQOSQGQXFH-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C[C@@H](C)c1ccccc1	2220965511	ZWBZEQTXGLRSRQ-FMKPAKJESA-N	244.378	4.576	0	10	BJAE	
CC1(C)CC(C)(C[C@H]2CCCNC23CCCC3)C1	2221037295	CNEFTFHCGHIYJN-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@H]2CCCC23CCC3)C1	2221086036	MKJYUOZTSIWKOL-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1	2222950493	XLJPRIGCCCAWAA-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	2222969141	ZGGOHVPFFGVHLT-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=CCCCCCCC2CC2)CN1	2223107715	AMWKWNHGJHDWBM-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC(C)CC[C@H](C)C[C@H]1CNc2ccccc2C1	2223666346	LIEAYFPQBCZXIU-LSDHHAIUSA-N	245.410	4.733	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1csc(C)c1C	2242645613	XGTFUJOHAMTEEV-GFCCVEGCSA-N	238.396	4.620	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CC[C@H]1CCC[C@H](C)C1	2246664591	PREBKPOFBSMTNJ-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
Cc1sc(C(=O)[C@@]2(C)CC=CCC2)c(C)c1C	2246805304	UEINXZMIJVBCBC-HNNXBMFYSA-N	248.391	4.602	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cc2ccccc2s1	2246859683	XZIWHOPYPNLQJE-NHYWBVRUSA-N	248.391	4.761	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1cccc(C(C)(C)C)c1	2249232021	DAEMOSDCWQVNKW-WFASDCNBSA-N	231.383	4.585	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](CO)C1CCC1	2250517699	FCTFUQITPAKHJV-HOCLYGCPSA-N	240.431	4.638	0	10	BJAE	
CC=CCCC[C@H]1CCC(C)(C)[C@H]1NCCC	2251702461	RSAMEGIMJMKTCM-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1CC(C)(CC2(CNC(C)(C)C)CC=CC2)C1	2253662288	JXFPKSYVTYUDNY-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC1(NCC[C@@H]2CCCCC23CC3)CC1	2253884808	WOEIKJPCIJJSMI-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC([C@@H](N)CC2CC3(CCCC3)C2)C1	2254115126	OGCSMDXXDWAPHQ-PCKAHOCUSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNc1ccc(C2CC2)cc1	2254506896	XKWAGBFPBVXUMI-XJKSGUPXSA-N	243.394	4.802	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNC1(C2CCCCC2)CC1	2254534120	ZFCMQDVLSFRNHM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1C[C@H]1CCNC2(CCCCC2)C1	2254968926	ORVMQYHIJUNHQB-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@@H]2CCC23CCC3)CC1	2254981180	UUCBNULXEQQFCQ-PWUWZPNHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C[C@H]2CCCC23CC3)C1	2255230751	ZEZUGSYDXAZFDY-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC=Cc1ccccc1)NC	2259451789	FJOLEWGFZBBROW-SJORKVTESA-N	245.410	4.504	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@@]12CCC[C@@H]1CC2	2260508761	REYFLAUQNUUQIF-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@@]12CCCC[C@@H]1CC2	2260509580	WHWJGIXCSYPGIT-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CCN[C@]23CCCC[C@H]2CC3)CC1	2260546513	ODXABHOPIHDDCU-IRXDYDNUSA-N	249.442	4.659	0	10	BJAE	
O=C(CC[C@]12CCCC[C@H]1CC2)CC1CCCC1	2260569746	XPKNKGMQMRUMFN-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CCc1ccc(NC[C@]23CCC[C@@H]2CC3)cc1C	2260592469	QNDWVRHVVZUPNI-NVXWUHKLSA-N	243.394	4.550	0	10	BJAE	
CC(C)(C)CC1CC(C[C@H](N)[C@H]2C=CCCC2)C1	2261128765	RPSBJXYWERMIKJ-CKUJCDMFSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@H](N)[C@H]2CC=CCC2)C1	2261262056	JVVYUEILLIFVCK-SSHXOBKSSA-N	249.442	4.523	0	10	BJAE	
C=CC=CCCN(C)[C@@H]1CC(C)(C)CCC1(C)C	2261438702	NTJXSGWBRKINKM-OAHLLOKOSA-N	249.442	4.655	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc(C)c(CC)c1	2299660845	QSSUEOGNKAQGBE-MRXNPFEDSA-N	234.383	4.561	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CC12CCCCC2	2300698195	XPCZMAZKZYDMBE-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCC[C@H]1C1CC1	2300698611	ACHOAIIRLIMGEM-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC(C)=CCCNCC(C)C	2300702406	WWXXBXDWBGJLST-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CCC(CC)CC[C@]1(CN)CCC=CCCC1	2300703647	IVDCZHGQVKQTRL-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CC(=CC[C@H](N)C[C@@H]1C[C@@H]1C)CCCC(C)C	2300914243	PDFVWPWXVBHPEJ-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCCCCC2)[C@@H](N)C1	2301137143	FIGAKTZLGRMODD-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)[C@@H](C)C(C)C)C(C)C	2301844803	SVNUXUGMVKFFCZ-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](CC)N(C)CCCC1=CCCCC1	2302357330	XGFYKHJLFWJFRB-MRXNPFEDSA-N	237.431	4.778	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](O)CCCCC2CC2)C1	2302580649	UJYMTXIJJMCCED-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)CC1(C)CCCCC1	2302616247	VEFQGMGIMLNMFV-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@@H]1CC[C@H]1C(C)(C)C	2303507759	GWWIEBDULMPCDC-WOSRLPQWSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@](C)(F)C(C)(C)F	2307674574	PRSFPTICOSUIOM-FZMZJTMJSA-N	248.357	4.638	0	10	BJAE	
CCC[C@H](CC)CCC(=O)c1cccc(F)c1	2307748054	VNROIICBHHEXTB-LBPRGKRZSA-N	236.330	4.615	0	10	BJAE	
CCC[C@H](CC)CC[C@H](N)c1ccc(C)cc1	2307907520	CRGQQEWZTFUPQU-HOCLYGCPSA-N	233.399	4.601	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313177161	DVZTWPPUGCMLRW-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2313320752	ZQQHAXVJJLVICS-MPTYRVRUSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C(=O)C(CC1CC1)CC1CC1)C1CCC1	2313632044	AQMCPOLPQOQPCX-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@](N)(C(CC2CC2)CC2CC2)CC1	2313660220	IYIWKMUXLYARKG-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@](C)(O)c1ccc(C)c(CC)c1	2314644144	RMHLBRXSJJAMMN-KRWDZBQOSA-N	248.410	4.735	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@@H]1CCC[C@@H]2C[C@H]12	2316880488	JYUYZXFNPBGECZ-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)[C@@]1(C)C=CCC1	2317000366	BTLHJWIJWHTGRO-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)c1cccc(C2CC2)c1	2317825776	ZYEHGXFYNNDQLH-QWHCGFSZSA-N	244.378	4.675	0	10	BJAE	
C[C@H]1C[C@@H](NCCCC2=CCCCC2)CC[C@H]1C	2318532036	SVDBQHXCRLZNRA-VYDXJSESSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CCCCN1CCCC1=CCCCC1	2318596201	XDIPZQDZJMAHAV-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCCC[C@H]3C[C@@H]32)c(C)c1	2319350146	SAHPVRVCNGDWRB-HRCADAONSA-N	243.394	4.602	0	10	BJAE	
N[C@@H](CC[C@@H]1CC[C@H]1C1CC1)C1CCCCCC1	2319752348	XOHPVBZGRNJQCC-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1CCC(C)=C(C)C1	2320238658	XCERCMQYIXFXBP-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
CNC[C@@H]1CCCC[C@@H]1C[C@H]1CCC(C)=C(C)C1	2320332844	AXZKGBXHMCAXOV-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
C[C@@H](N[C@H](CC1CC1)C1CC1)C1(C)CCCCC1	2320521582	RJMMTQNBVDAMSU-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
C1=C(CC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)COCC1	2328287453	QBZMSWZABZKATL-HYVNUMGLSA-N	248.410	4.720	0	10	BJAE	
CCCCC1CCC(C(=O)c2ccccc2)CC1	2022858	DNSDRYPHMOSGOC-UHFFFAOYSA-N	244.378	4.866	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCCC[C@@H]1CC	37031250	BCDIGLNIKSTYLZ-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@H](C)Nc1ccccc1C(F)(F)F	37196397	ZEYLEFBHVKFYDI-SNVBAGLBSA-N	245.288	4.696	0	10	BJAE	
CCC(=O)c1cccc(-c2cc(C)cc(C)c2)c1	38069551	WKXCRIDNNVAKCS-UHFFFAOYSA-N	238.330	4.563	0	10	BJAE	
Cc1ccc(N[C@@H](c2cccs2)C2CC2)cc1	42328657	XUWDKUXIYFZEAE-OAHLLOKOSA-N	243.375	4.620	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1ccsc1	43456191	GYJMKYIRWZWMRQ-LLVKDONJSA-N	224.369	4.537	0	10	BJAE	
CCCC(CCC)N[C@H](C)c1cc(C)oc1C	44729471	IDAYWBUJMPBIBD-GFCCVEGCSA-N	237.387	4.516	0	10	BJAE	
CCCCC[C@H]1CCCCC[C@H]1NCCC	71084119	BJMSTGNZQYAYJO-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@@H](CC)NCCCc1ccccc1	75437762	NSSOHXHUZAYPAL-QGZVFWFLSA-N	247.426	4.568	0	10	BJAE	
CC(C)(C)c1ccc(C2CCCC2)cc1	75840586	LXXBRMJLVPKZBL-UHFFFAOYSA-N	202.341	4.642	0	10	BJAE	
CCC(CC)[C@H](NC)c1cccc2ccccc12	79904322	VZVDJFSJSMXHPW-KRWDZBQOSA-N	241.378	4.537	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H](C[C@@H](C)CCC)C1	80416191	ZQWGECMKNQKXMU-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H](C)C(CC)CC	82632467	MPQCVOCXTQKBRA-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC1CCC(C[C@H]2CCc3ccccc3N2)CC1	86317668	VBINUFSLDPVASQ-ZBCRRDGASA-N	243.394	4.630	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@@H]1CCCC(C)(C)CC1	92599642	TZRGULNZRQKCGD-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@H]1Nc1ccc2[nH]ccc2c1	94274755	VGPWBGHYJWRLAF-OAHLLOKOSA-N	242.366	4.549	0	10	BJAE	
CCC(CC)[C@]1(O)CCC[C@@H](C(C)(C)C)CC1	94676193	LCXWWAQAFWTQTP-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCCCC(C)(C)CNCC1CCCCC1	94985202	XCTCHKICNMPKGK-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC1=CC[C@@H]2C(C)=CC[C@H](C(C)C)[C@H]2C1	105054083	USDOQCCMRDNVAH-RBSFLKMASA-N	204.357	4.581	0	10	BJAE	endogenous,in-man
CCCC[C@H](CC)CC(=O)c1cccc(F)c1	109708215	JDCQPIBIDVAFNR-LBPRGKRZSA-N	236.330	4.615	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2C[C@H]3CC[C@@H]2C3)cc1	109751782	LZMKXLHGERIFRU-ZENOOKHLSA-N	243.394	4.585	0	10	BJAE	
CCCC(N)(CCC)c1ccc(C(C)(C)C)cc1	110437786	LAPVTBRVAAPXSA-UHFFFAOYSA-N	247.426	4.738	0	10	BJAE	
Cc1cc(C)c(C(=O)C2CCC(C)CC2)c(C)c1	125677514	UCICDQJSAWAINH-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)c1cc(C)cc(C)c1	132592673	LHNCOUZVMUUDGJ-GDBMZVCRSA-N	233.399	4.533	0	10	BJAE	
CCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNC(C)(C)C	156092434	SOJXFTWWUPOWAH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@H]1CC	164022712	HRHQRXRNGMQYRH-UKRRQHHQSA-N	231.383	4.548	0	10	BJAE	
CC[C@H](C)C[C@H](O)c1ccc([C@@H](C)CC)cc1	167631689	ULODOUBQGREEQL-XEZPLFJOSA-N	234.383	4.670	0	10	BJAE	
CCCC[C@@H](CC)C/C(C)=C\CCNCCC	211730841	ZEEPYDBBUBTEEG-DDITZMBXSA-N	239.447	4.929	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CC[C@@H](C)[C@@H](C)C1	220606393	JIGSDVVJPWHTAZ-QXSJWSMHSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@H]1CCCC1(C)C	226818941	RQHIBRCHEASOKI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)c2ccc(C)c(C)c2)C1	226984090	IDMDVOYUMUOARC-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
CCCC(CCC)C(=O)Cc1c(C)cccc1C	229370660	OEFXFVJWYSWGLE-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CCC[C@@H](CC)N[C@H](CCC)c1cccs1	233288446	NFVWOXSJVBXMGM-CHWSQXEVSA-N	239.428	4.758	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC1(C)C	233572662	SOQXHNNVJNPUFH-JKSUJKDBSA-N	245.410	4.507	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CC(C)(C)C[C@@H]2C)c1	235544507	QNZOSFZHSUVBFR-ZFWWWQNUSA-N	231.383	4.540	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNC2CCCCCCC2)C1	235663858	SKVLBUNXMOPBMP-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)C[C@@H]1C[C@H]2CC[C@H]1C2	250514233	FBPRRWUUUCIXBP-KEXHUZLDSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1c(C)cccc1C	300463695	FROKYYKJAYQLHX-JKSUJKDBSA-N	247.426	4.910	0	10	BJAE	
CC(C)(C)c1ccc(OCCC2CCCC2)cc1	302248861	JWLGEXRWJJRYRW-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCC2CCCC2)C1	304126602	MQBXPUAAUUETQJ-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CCCNC[C@@H](CCC1CCCC1)CC(C)C	305907487	DGWMSPUUGXUBKU-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(N[C@H](C)CCC(C)(C)C)c(F)c1	306005114	HHFRYWVFCNFCID-GFCCVEGCSA-N	237.362	4.761	0	10	BJAE	
CC1(CC(=O)c2sccc2Cl)CCCC1	306737779	RQEBVSNGVUWJTN-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
Cc1cc2ccc(C(F)F)c(Cl)c2s1	307524973	GZDAIGZBDKOWKU-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2C=CCCCCC2)c1	310073768	QFYUXNUNUVAJCH-ZDUSSCGKSA-N	249.785	4.949	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)CC1(CC)CCC1	310113511	GHCYJONYFCFBLG-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@@H](O)CC2CCCCCC2)CCCC1	310280492	PKOIDADDAWMPML-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC(C)NCC/C=C\C[C@@H](C)C1CCCCC1	310379634	BYGIMLRRLXDYAT-IYKSTZQJSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](N[C@H]1C=CCCCCC1)C1CCCCC1	310663290	XFTBFBAVSXUVQQ-DLBZAZTESA-N	249.442	4.824	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)[C@H](C)[C@H](C)CC	319450395	SPFZGTMOLCQOPO-BZUAXINKSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1ccc(C)cc1Cl	320212191	RYAZFFDYRXUUMV-QWRGUYRKSA-N	238.758	4.513	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@@H](C)CC1)C1CCC1	322483756	UZGONTKHKYYGRC-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CC/C=C\c1ccccc1)[C@H](C)CC	324246601	HMJQJAGFFMYFLF-ZMRGCFQXSA-N	245.410	4.504	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCCC12CCCC2	328029769	VCCNIOIVMPMHIE-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](C)[C@H](CC)C[C@H](C)C1CCCCC1	379967577	GDITVFQHFRSADF-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@@H](CC2CCCCC2)C1	382442880	BIHORUNQPKPFGV-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@H]1CC1(C)C	383320501	XOZGTXKBQFSEFI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1c([C@H](N)CCC(C)C)ccc2ccccc12	384331219	ADWHGFXGUFMEEV-QGZVFWFLSA-N	241.378	4.584	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@@H](C)CC(C)(C)C)c1	384441562	GJAGPJQKOVBZKB-LSDHHAIUSA-N	247.426	4.779	0	10	BJAE	
C[C@@H](C/C=C\CCNC(C)(C)C)c1ccccc1	384850039	FOYVFCHWFSOHPS-XHPSBEMXSA-N	245.410	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC(CC)(CC)CC	391165439	IUQLVKDQVNQQAP-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CCc1ccccc1	394877026	XOZNCLBVSNQETJ-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H](C)CC(C)(C)C	395060758	PAWKYTAWHVGOBS-LLVKDONJSA-N	239.790	4.885	0	10	BJAE	
CCc1sc2c(C)cccc2c1C(F)(F)F	396311255	WZNAOEUCXLHGAA-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
C[C@H](C(=O)c1ccc2ccccc2c1)C(C)(C)C	399218575	TVSZXQSWOJJZAI-GFCCVEGCSA-N	240.346	4.705	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@H](C)C(C)(C)C	399237174	CRZBFGKFKMRAER-ILXRZTDVSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)c1ccccc1OC[C@@H]1CC=CCC1	402356946	UNOAKQHJFMRZKO-CQSZACIVSA-N	244.378	4.719	0	10	BJAE	
CCCCCC(=O)C[C@@H](CC)CC(F)(F)F	402480785	PHTIKCYJFZVYQY-SNVBAGLBSA-N	238.293	4.505	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2cccc(C3CC3)c2)[C@@H]1C	690073256	AKQUYQMIWFRSBY-PBFPGSCMSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@](N)(CC)[C@H]1CCC[C@H](CC)C1	690430167	MLRAOTZPTWAJRC-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCCCC[C@H]1N[C@H]1CCCCC[C@H]1C	691092597	YKQMQNGWNFCEOB-SYMSYNOKSA-N	237.431	4.514	0	10	BJAE	
CSc1ccc(N[C@@H]2CCCCC[C@@H]2C)cc1	691101840	JXVLSVXNFFZKDQ-SWLSCSKDSA-N	249.423	4.789	0	10	BJAE	
CC(C)CC(=O)[C@H]1CCC[C@@H](C(C)(C)C)CC1	695058805	BHQFBMOVPHFESX-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCCC[C@@H]1C1CC1	696103874	JLKUPUWOTQQSTL-UKRRQHHQSA-N	247.357	4.515	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H]1CCC[C@@H](C)C1	696251509	YYYRTPNKYYCSBD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1c(C)cccc1C	697775818	VQVYYWLNHMOHHE-MRXNPFEDSA-N	245.410	4.700	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC1C[C@H]2CC[C@H](C1)C2	697961711	DKMBSXZDBOKAPL-LJIGWXMPSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)CCCC2CC2)C1(C)C	699028621	YTDNUDDSUNPAJU-WBMJQRKESA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C(C)(CC)CC	701166183	JNYPTGMWVYFXJS-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1C[C@H]1C(C)(C)C	704170288	KVKJFLZDUFZBDF-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)CCCC(C)(C)C	704960520	QMUBGKNLPFXRJY-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCC23CCCCC3)C1	705265490	JZPSPVLWFYFCQG-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCCC[C@@H]2C)c1C	709164846	CRGSAUYZELFESS-DZGCQCFKSA-N	231.383	4.684	0	10	BJAE	
c1cc(N[C@@H]2CCC[C@@H]3C[C@H]32)cc(C2CCC2)c1	709688820	YJLBDWMIDMQOEV-DJIMGWMZSA-N	241.378	4.555	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC1CCC2(CC1)CC2	709990573	RPMPCSRJNUTRQA-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@@H](C)C(C)(C)C	710734104	AJFUGODRGRAPIW-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C[C@@H](NC)c1ccccc1C)C(C)(C)C	711097410	SJBRLTMEAPSUHC-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
CC[C@@H](C[C@H](NC)C(C)(CC)CC)C(C)(C)C	711213660	OQFYFZMGYRDIKB-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCc1ccccc1N[C@@H]1CC(C)(C)CC[C@@H]1C	713057006	GATZXZOCHIYNEZ-XJKSGUPXSA-N	245.410	4.876	0	10	BJAE	
CC[C@@H](C[C@H](N)CC(C)(C)C(C)C)C(C)(C)C	713134348	TYQHKDNVMVUXLO-KBPBESRZSA-N	241.463	4.848	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](O)CC(C)(C)C(C)C	713260215	XZNOXKJIPFNADJ-JKSUJKDBSA-N	248.410	4.613	0	10	BJAE	
C=C/C=C/CCCC[C@@H](NCC)c1ccccc1	713726624	HZHXLVZQXQTAID-FUTAKVPZSA-N	243.394	4.640	0	10	BJAE	
CCC[C@H](NCCCCC1CC1)C1CCCC1	716370349	HKACZHGTVQPTAF-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CCCC(C)(F)F)CNC(C)(C)C	718689268	XJXMJVKRPOAGJA-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCC(C)=C(C)C	718697407	XGMWAFKJTYPEGN-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC1CCCCC1	720940521	MSZZGEVGQCIHEU-HNNXBMFYSA-N	237.431	4.658	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H]1C[C@H]1CC)NCC	723068815	FGSNXCKIQOBWRE-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)c1ccccc1F	1258079639	SDIHSUNYYLOZQU-ZIAGYGMSSA-N	249.373	4.611	0	10	BJAE	
C[C@@H]1CC[C@H](SCc2ccccc2Cl)C1	1656451585	DZPOVXQCGMFQFN-PWSUYJOCSA-N	240.799	4.762	0	10	BJAE	
CCC1(C)CCC(Nc2cccc(C)c2F)CC1	1657532963	DNBUEZSTUGHETB-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CC(C)CCC[C@H](C)NCC=Cc1ccccc1	1876555188	BIYVDESZNXGARS-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
CCc1cscc1NCC1CCC(C)CC1	1902376231	FSPIWYHGCAWXNB-UHFFFAOYSA-N	237.412	4.549	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@](C)(N)CC1CCCCC1	1908553506	BBOMKIAHJAUYNQ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC(=O)[C@@H]1C[C@H]1C1CCCCCC1	1910658909	ATRUMGJGELCOPF-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@@H](C)C1CCCCC1	1911839707	BBORONQMOBGMLV-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
Cc1cscc1N[C@@H]1CCC2(CCCC2)C1	1916446697	ZXFFSJNMDOFUQL-GFCCVEGCSA-N	235.396	4.581	0	10	BJAE	
CCC(CC)CC(=O)c1ccc(CC(C)C)cc1	1926206091	ZXBMBMJVMMTDBS-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1ccc(Cl)s1	1928720872	IGVVKJNFUKRPQD-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1cscc1Cl	1928721745	QFXQMBREBJSCKW-CABZTGNLSA-N	246.803	4.507	0	10	BJAE	
CC(C)=C(C)CCc1cccc(F)c1Cl	1933542375	BDIJNNHJUNJPCY-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
CC(C)=C(C)CCc1ccc(Cl)c(F)c1	1934129681	VKWDTHJFUNUIFL-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
Cc1ccc(OC[C@@H](C)C(C)(C)C)c(Cl)c1	1936612748	JTXMPQJTQXHFSX-LLVKDONJSA-N	240.774	4.709	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CCCC1(C)CC1	1940868786	IIXWEVPIDJPIAV-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(O)CCCC1(C)CC1	1940870506	UJJXQZBCWKWXAO-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@H](CCCC2(C)CC2)C1	1940877294	PRZKZNFDQKPYER-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@]1(CNC(C)(C)C)CC=CC[C@@H]1C	1940953941	RRMRWFQPCGFXRF-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@](C)(N)C1CCC(C(C)(C)C)CC1	1941155511	IIEJDCFIWRMXBA-XUJLQICISA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)CNc1snc2ccccc12	1941357625	NVWKYYBCENYOMV-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCCCC[C@H](NC)[C@@]12CCCC[C@@H]1CCC2	1944136304	MZNNMNSKCILLHD-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCC=C(C)C)C(C)(C)C1CCCC1	1944639669	HMTGIHUWSGJPDN-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@@H]1CCC[C@H]1C	1944836332	JXTHERSMDCVBSO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
Clc1ccc(N[C@H]2CCCCC23CCC3)cc1	1947878370	HMRDPHIFPZNYFI-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
CCCC[C@H](CCC1(C)CCCC1)NCCC	1948434678	FIYDMIAFACSHAT-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CCCC2(C)CC2)C1	1949052299	VKHSBVPLINEOGI-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@H]1CCC(C)(C)C1	1949517598	KCOCZSOAUAYMAI-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CC1CC(C)(C)C1	1949735398	CMKCWNJHHMNGAQ-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(S[C@@H]2C=CCCCCC2)ccc1O	1949783091	KPTJUFXNPIOWKF-CYBMUJFWSA-N	248.391	4.682	0	10	BJAE	
CC(C)CCCNC[C@@H]1CCCC(C)(C)CC1	1950920556	WNSGDSZYWJTESK-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CNCc1ccccc1C(C)(C)C	1964047990	IYXNZYVFVQCQAD-UHFFFAOYSA-N	247.426	4.510	0	10	BJAE	
CC[C@@H](C)CN[C@@H]1CCCC2(CCCCC2)C1	1969980819	JRUAFSVGJQKHAB-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)C1CCC(N[C@@H]2CCC3(CCC3)C2)CC1	1970999144	UNLHPTKBQKZJLU-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC2(CCC2)C1)[C@H]1CC1(C)C	1972536474	VUMPINHQYRDWTO-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)c1ccc(C)s1	1973169881	JIDBATSDGKBDGM-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)c1csc(C)c1	1976010156	HTXJOBJJJWKZHP-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1csc(C(F)F)c1	1978579921	UIDZSPRNVGVYAX-VIFPVBQESA-N	248.338	4.545	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC(C)(C)C(C)C	1986938016	LRSMGPDEPYCLEP-HNNXBMFYSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C)c1cccs1	1986949261	WITNSPDPNJVESD-STQMWFEESA-N	239.428	4.614	0	10	BJAE	
CCSc1ccccc1NCC(C)=C(C)C	1989654639	CRBMXMNMLJQGCQ-UHFFFAOYSA-N	235.396	4.567	0	10	BJAE	
CCC[C@@H](C)CN(C)[C@H](CC)CCC(C)C	1990818650	XBRVIPOIRYSCDS-HUUCEWRRSA-N	227.436	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CC[C@@H](C)C2)C1	1996232574	QAIHWDLWFDOVRD-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2CC[C@H](C)C2)CC1	1996266653	CNGVPAGQOQDZSK-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](NC)[C@H]1CCCC2(CCCCC2)C1	1996647324	KZGGNAMUUDNBSR-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCC1(CO)CC(C(C)(C)C)C1	1998261806	YZPLZYIIAGSOBI-UHFFFAOYSA-N	240.431	4.638	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCC2(CCC2)C1	1998696800	RTHBQFPQRVWXEG-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
Cc1sccc1C(=O)C[C@H]1CC12CCCCC2	2001254051	LHRPRAUYDJMGLO-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CC(C)c1ccccc1NCC1(F)CCCC1	2001386948	ABEOPKTYLBVDDR-UHFFFAOYSA-N	235.346	4.504	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C[C@H](C(F)F)C(C)(C)C	2002439295	ZBLWVIULDSTDGF-GARJFASQSA-N	248.357	4.555	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1(C)CC1)NCCC	2002507323	MXGURZNCIBRRIG-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H]1[C@H]2CCCCC[C@H]21	2002771714	JDBOTXQLLHEFDG-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)[C@H]1CCC[C@@H](C)C1	2003016813	QQSPGYGWAMYIBR-VNQPRFMTSA-N	237.431	4.667	0	10	BJAE	
CC(C)=C(C)CCNC1CCCCCCCC1	2003074053	KYLSMWAURBYWRF-UHFFFAOYSA-N	237.431	4.825	0	10	BJAE	
CCC(C)(C)C[C@H](O)C1(C)CCC(C)(C)CC1	2007686762	BAOLEANDAXKRAI-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CCC1CC(CC[C@@H](O)CC2CCCCC2)C1	2007808439	RLUUMDQYNRXQFG-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(N)CC(CC)(CC)C1	2009303957	KHBQVNDXLNWTCB-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@@](CC)(CCCC)CNCC	2009625481	BARKHRYEQGQXSE-DXWDOBMASA-N	239.447	4.929	0	10	BJAE	
Cc1c(Cl)cccc1NCC[C@]12CCC[C@H]1C2	2010994863	KCJGWPUPIUKDNN-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCCCCCc1nc(-c2ccccc2)cs1	2011582889	JTZHPLOZMZMNQD-UHFFFAOYSA-N	245.391	4.933	0	10	BJAE	
CC(C)c1ccccc1NCCC[C@H]1C[C@@H]1C	2011583208	GYLCYGLDTDLVPW-KBPBESRZSA-N	231.383	4.658	0	10	BJAE	
CCC(CC)[C@](CC)(CNC(C)(C)C)C(C)C	2012440375	PXTULIKFNXYSLB-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C(C)(C)CC(F)F	2016019671	SVHAOSBCRJSZJS-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
C[C@@H](CC(C)(C)C)NCC1(C(C)(C)C)CCC1	2017134966	NVBADMNFPVJWSW-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)C[C@H]1CC[C@H](C)CC1	2017649932	BBKULHBXKDLUEB-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC1CCC(CC)CC1	2017776323	NLWYNGCIDSVQIA-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CC12CCCCC2	2018128115	VHYMVXGFRJYSCO-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCC(C)=C1C	2018129749	FHPCLASIUUUQSN-HOTGVXAUSA-N	237.431	4.824	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1C=CCCCC1	2018131527	OROMJXWNHBBFMJ-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCC1(C[C@@H](O)[C@H]2CCCC(C)(C)C2)CC1	2018970194	NHENYCMZCWYPAA-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)N(C)[C@H](C)[C@H]1CCCC(C)(C)C1	2019305106	FHOLIEZTIYTGHU-ZNMIVQPWSA-N	239.447	4.712	0	10	BJAE	
CC(C)CCCCCN1C2CCCC1CCC2	2019339587	CLNCHKFEWWJFBG-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C1CCC(C)(C)CC1	2019424241	ZQVVJXBZVINCEX-AWEZNQCLSA-N	239.447	4.712	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CCC=CCC2)C1=O	2020393244	SFNDUEWJJYUBAW-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
CCN(C[C@@H](C)C(C)(C)C)C1CCCCCC1	2020501966	PJKNNPOCXBRXEV-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCNC12CCC2	2020579134	HTTUYLPYWKQDQP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC=C(CC)[C@@H](NC)c1cc2ccccc2s1	2020966161	DXJHRNCKXGEXRC-OAHLLOKOSA-N	245.391	4.518	0	10	BJAE	
CCCCCC(=O)[C@H]1C[C@@H]1C1CCCCCC1	2022417428	MPRKSGKNHVZKOB-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2022418023	SGOUZZKKUJBBLV-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)CCCCC(C)(F)F	2023303474	DGIUJMYBEZHVKP-GXTWGEPZSA-N	248.357	4.533	0	10	BJAE	
CC(F)(F)CCCC(=O)CC1(C)CCCCC1	2023306388	IJHBTLFIVNWTIC-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CC1CC1)NCCC	2026072821	FSIBHVGUCOBWIQ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC1CC2(CC2)C1	2026166900	NDPCFLDPKYKPCV-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@](C)(N)[C@@H]2C[C@H]3CC[C@H]2C3)CCCCC1	2027309846	UVLONKJHNCBWSG-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@](C)(O)CC2(C)CCCCC2)c1	2027311325	JLTOGYQUKJDSFA-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@@H]1CC=CCC1	2027517512	HTZUYOOJCMKSQF-RHSMWYFYSA-N	243.394	4.556	0	10	BJAE	
Cc1ccc(N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)c(C)c1	2027794802	ZTHJBAUQLJMRMV-TZDHZFECSA-N	245.410	4.786	0	10	BJAE	
CC(C)C[C@]1(C)Nc2cc(C(C)(C)C)ccc2O1	2027875778	RJAULNCJEAQWHW-MRXNPFEDSA-N	247.382	4.551	0	10	BJAE	
CCNC[C@@]1(CCC2CCCC2)CC=CC[C@@H]1C	2027927242	VRGAAGBZHSKCIV-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)C(C)(C)C1CC1	2028102042	WGCNQOLXSNBBMX-INIZCTEOSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1CC=CC[C@@]1(N)C1CCC(C(C)(C)C)CC1	2028114449	HCPJENJCTOUGDJ-GIOUXUJVSA-N	249.442	4.523	0	10	BJAE	
Cc1cccc([C@@H](N)[C@@H](CC(C)C)C(C)C)c1C	2028255723	SLJYMNZSHJKCTR-DLBZAZTESA-N	247.426	4.622	0	10	BJAE	
CCCC[C@H](NCC)c1ccccc1C1(C)CC1	2028561768	DCMLMDURAZCGOG-INIZCTEOSA-N	245.410	4.579	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)c1ccc(C2CC2)cc1	2028603757	AHPJBXLVIUROOV-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
Cc1cc2ccccc2n1CCCCCC1CC1	2028634104	ODODXDZCVZJSID-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)CC1CCC=CCC1	2028872416	FPSQQKIGEUSTEJ-HNNXBMFYSA-N	248.410	4.908	0	10	BJAE	
CC1(C)C[C@@H]1CCNC1CCC2(CCCC2)CC1	2032432413	KFEMONBOHITUAC-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H]1COc1ccccc1C(C)(C)C	2032477309	ASOSBUCHSVQCNH-UONOGXRCSA-N	246.394	4.799	0	10	BJAE	
CC1(C)C2CCC1([C@@H](N)CCC1CCCC1)CC2	2033435695	VGKQARWYKRWYNZ-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@@H]1CCC1(C)C	2033570897	MKQSEIGRAKIBQF-JKSUJKDBSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(N)C[C@@H]3CCCC[C@H]3C2)C1	2034160691	OGLNEYDDXYSBCA-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H]1C=CCCC1	2035567241	QGNFUUAZRHXLPR-AWEZNQCLSA-N	242.362	4.568	0	10	BJAE	
CC(C)(C)[C@@H](N[C@@H]1CCCCC12CCC2)C1CC1	2035883897	AATKDFPLHIYYTH-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCCCC23CCC3)[C@@H]1C	2035885082	DTEYGQNDGLOZEI-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CCNC[C@@H]2CC23CCCC3)CC1	2036127770	JSGFQHQUZMIEIJ-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC1CC2(CCC2)C1	2037977373	VWEZKWITUCZHQJ-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CCC1(c2nc3c([nH]2)[C@@H](C)CC[C@H]3C)CCCC1	2038007291	NHWJIYVACIBSQJ-TXEJJXNPSA-N	246.398	4.632	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@@H]1C(C)=CCC[C@@H]1C	2039451571	ANJBDHUDJJGVLB-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C1CC2(C1)CC(C)(C)C2	2039461450	FQNOKTYMRGXICZ-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C1CC2(C1)CC1(CCC1)C2	2039462706	WKFYKOGRWSZPBB-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@H](C)N[C@H]2CCCC23CCC3)CC1	2040641636	OMJTXALNGZSNSX-GRAKBVBRSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C[C@H]1CCC=CCCC1)[C@@H]1CC1(C)C	2045322065	BBMOIMZFQPYBAX-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@H]1CC12CCC1(CCCCC1)CC2	2045659629	DTSQJIGHKPONJX-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@@H](c1ccco1)C1(C)CCCCCC1	2045818872	RHGJBMDDDZJIOJ-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
CC(C)[C@]1(C)C[C@@H]1NC1CC2(CCCCCC2)C1	2046234857	GRJOZGRICVGVNT-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H](N2CCC3(CCCCC3)CC2)C1	2046576765	GWSJRPRIYRKNFK-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@@H](CC2(CF)CCC2)Nc2ccccc21	2046907857	GSXPUJLEVBTHAP-OLZOCXBDSA-N	247.357	4.504	0	10	BJAE	
NCC[C@@H]1CCC[C@H](C[C@@H]2CC23CCCCC3)C1	2047005546	UQROGHKWCDUDSO-HRCADAONSA-N	249.442	4.502	0	10	BJAE	
CC(C)(C[C@@H](N)C[C@H]1CC12CCCCC2)C1CC1	2047015443	IWJWESWIEGKIAH-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048468439	GEHAXBNMDMNMDN-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1O[C@@H]1[C@H]2CCCCC[C@H]21	2049191370	KOEJIVVZQNXWRV-QLPKVWCKSA-N	244.378	4.768	0	10	BJAE	
C[C@@H](C1CCCCC1)N(C)C[C@@H]1C=CCCCC1	2049426920	GVNDBACZZBQMTD-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)[C@H]2CCC[C@@H](C)C2)c1	2049535223	CWKNRJXWSGDVGD-WQVCFCJDSA-N	245.410	4.930	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)C[C@H]2CC=CCC2)C1	2049539829	JPUSXRZMPUDTAR-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCC[C@H]1C)c1ccco1	2050525616	PWNDRWAYLLUSAS-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC)C[C@H](CC2=CCCC2)C1	2055026119	FQPYIFPFIVCRSA-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](c2ccc(C(C)C)cc2)C1	2055140244	VZPCBUWLMFSLNA-CZUORRHYSA-N	244.378	4.673	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCCC(C)=C1C	2055553602	AMNWIRRPXJDXQI-IKGGRYGDSA-N	249.442	4.824	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)CCC1=CCCCC1	2056447090	BFAVHKKZQJJHFJ-CVEARBPZSA-N	248.410	4.908	0	10	BJAE	
CC1(CC(=O)C2(C)CCC3(CC3)CC2)CCCC1	2056539911	RKGOEQZBQCMFDR-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C=C2CCCCC2)CC1	2056869930	GIKVVQDAZIAVKE-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C2CC(C3CCC3)C2)CC1	2057487700	AJBYZXBQPOZKOL-YJNKEBTESA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@]12CC[C@@](N)(CC3(C)CCCCC3)[C@@H]1C2	2058569510	KWUYXAVASKPHAO-DJIMGWMZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@@H](C)C1CC1	2061084928	NKKURAJWOVCTQC-ZQIUZPCESA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C(C)C)CC1)C1CCCC1	2061088082	KKTJTHSKWJXWSM-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CC1(C)C)C1=CCC(C)(C)CC1	2061143965	NUEWIJUXJDLBOF-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C1=CCC(C)(C)CC1	2061148798	XUDWPCLZVUOVLJ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCCN[C@@H](C)c1ccc(CCC)cc1	2062371884	KDZNMWSNOXHWDR-DRDHIDPGSA-N	245.410	4.646	0	10	BJAE	
CC[C@@H](N[C@@H](C)CC1CCCC1)c1occc1C	2063686415	FXAHLFAOOWVBFH-DZGCQCFKSA-N	249.398	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](CC23CCC(CC2)C3)C1	2065276788	HSLCFKXKILCPEZ-GYMHETDLSA-N	248.410	4.598	0	10	BJAE	
CCCCC(C)(C)NCC[C@@H](C)c1ccccc1	2066384116	YWRDYKLGGZUDHS-OAHLLOKOSA-N	247.426	4.739	0	10	BJAE	
O=C(CC1C[C@H]2CC[C@@H]2C1)C1CCCCCCC1	2068702415	IFHAYUISCRNTFE-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@H]3C[C@@H]2C3)cc1	2069220816	NNYIGRUJHLRUHE-YOKBYHGQSA-N	243.394	4.801	0	10	BJAE	
CCC1(CC)CC(NCC2(CC3CC3)CCC2)C1	2069507478	RBCVFWSFORZHTR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCC1)C1(CC(C)C)CC1	2069513219	KIYZJBOOUXDPBN-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(CN)(C[C@]23CCC[C@@H]2C3)CC1	2070968192	SICJWWPKVSQJCV-MNAZLIDISA-N	249.442	4.502	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C[C@@]12CCC[C@H]1C2	2070969779	CPVCBTDWMFNYSZ-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCN[C@H]1CCC2(CCCCC2)C1	2071465020	IBEAKSPRYNGZPI-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C[C@H]2CCC23CCC3)CC1	2072875568	PKFPLZQVVIVDBL-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(CC(=O)C2[C@@H]3CCCC[C@@H]23)CC1	2072882060	QZRXYOAZFJHRLQ-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@](C)(N[C@H]2CCC3(CCCC3)C2)C1	2073063391	GESBLAITUNMVSF-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@@]12CCCC[C@H]1C2	2074029716	PBQTUDRIJMCBSB-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)C[C@]23CCCC[C@H]2C3)CCCCCC1	2074030799	VPNYNFQVBBWJNJ-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@]12CCCC[C@H]1C2	2074092371	XAZWMSCCRYQMTN-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CN([C@@H]1C=CCCCC1)[C@H]1CCC12CCCCC2	2075408556	QXNSUOIAFHMAQQ-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](NCC)C1=CCCCCCC1	2079445682	ZAUQBCFVNKCGPD-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079516992	YGLOLBYFRAKMCM-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](N[C@H]2C[C@@H]2C2CCCCCC2)C1	2079527322	HPMLJZZZBQXQAU-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2C[C@H]2C2CCCCC2)CC1	2079533412	WTDPSUSYXKTLKW-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2C[C@@H]2C2CCCC2)CCCC1	2079732386	KRBAQTSPCJHRHT-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(N)CCCC12CCCCC2	2079860835	CPRZWDUBZQUKKX-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC=C1CCC1)c1cccc(C)c1	2080245936	ZCVPMWAZNKCPQW-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
C(CN[C@@H]1CCCCC12CCCCC2)=C1CCC1	2081675379	UDQYTVQTQWFYQJ-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CCC(CC)C[C@H](N)CC1C2(CCC2)C12CCC2	2083578767	MUWREPHQDBFQTK-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H](N)CCC1CC2(C1)CC1(CCC1)C2	2083615817	QFPZJVAFCJGNDN-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc2cc(C(=O)C3CCCCC3)oc2c1	2084093322	OFLFCSIBDOYQOA-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CCCC[C@H](C)C(=O)c1sc(C)c(C)c1C	2211700877	VMNCAHONHIRBHA-VIFPVBQESA-N	238.396	4.682	0	10	BJAE	
CC(C)(C(=O)CCCCCCC1CC1)C1CC1	2213582703	KNCFNHHDHXOJQC-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C(CC)CC	2214567206	CRNLBPGARPVPQX-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@@]2(N)CCC[C@H](C(C)(C)C)C2)CCC1	2216257478	LQBWLHOOEUZWSV-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1[C@H](C)C[C@@]1(N)CCCCCCCC1CC1	2216861367	UYNZWXOEGADLQC-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)CN(C)CCCCCCCC1CC1	2216877235	JSGKABQJMAVNON-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)C1CC(C)(C)C1	2217126179	SWKKNDKAILMVME-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1NC[C@@]12CCC[C@H]1C2	2217240234	HLYWTBYFYYFBIU-WFASDCNBSA-N	249.785	4.505	0	10	BJAE	
C[C@]1(C(=O)CC2C[C@H]3CCC[C@H](C2)C3)C=CCC1	2218374919	RVCOJFBALLWTEA-ZQIUZPCESA-N	246.394	4.518	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)[C@@H]1C=CCCC1	2218731280	MLFXQEWEXNSZLG-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H]1c2ccccc2NC[C@H]1C	2220921680	ZSLBMOLXCPEQOB-APIJFGDWSA-N	243.394	4.658	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@]2(C)C=CCCC2)c(C)c1	2221921294	IMRAAWODKGTQBE-QGZVFWFLSA-N	242.362	4.541	0	10	BJAE	
C(CCCNC1CC(=C2CC2)C1)CCCC1CC1	2223158753	LEUZVHKWAQSCRY-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCCC(CCC)[C@H](N)c1ccc2occc2c1	2224139803	OUEPSBYSLMROCG-INIZCTEOSA-N	245.366	4.649	0	10	BJAE	
CCCC[C@@H](C)Nc1c(F)cc(Cl)cc1F	2243355769	WRVTZIFCTWYADV-MRVPVSSYSA-N	247.716	4.609	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)CC[C@H]1CCC[C@@H](C)C1	2246724279	DGGLWRKVHWLZQL-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CCCCC[C@H]1C[C@@H]1C	2248809341	RINGLTQKMCUWTI-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)CCN(C)CCCCC[C@@H]1C[C@H]1C	2248846164	YTYUSTYLJQKFFH-ARFHVFGLSA-N	239.447	4.571	0	10	BJAE	
C[C@H](Nc1cccc(C(C)(C)C)c1)C1(C)CC1	2249257200	DEFXVJREKFXZDS-LBPRGKRZSA-N	231.383	4.585	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1CCC(CC)CC1	2250351918	HXBWXQSNANZMBN-YMAMQOFZSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCCCC(F)F)NCC	2250353279	SXVXZVQJBIJUNJ-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1CC(CC)C1)NCC	2250367924	BEZJAAUMRITVFE-QDIHITRGSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@]12CCC[C@H]1CC2	2251177092	VYOKEPROQXZVHW-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CC1CC(C)(CC2(N)C[C@@H]3CCCCC[C@H]3C2)C1	2253682783	INAQZTQTXHOZGL-PYBGIAKNSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCNCC2CC3(CCCC3)C2)CC1	2254085052	XXOMAERJMOTGKX-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@@]1(C)CC=CCC1	2255142060	RUEYXVHEIILAAK-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
Cc1ccc(NCCCCC[C@@H]2C[C@H]2C)c(C)c1	2257332467	WLHOCFBPJOMMEX-GDBMZVCRSA-N	245.410	4.932	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@]23CCC[C@H]2CC3)C1	2260657868	LFXPKGDWSYDYKO-NZUILWFCSA-N	246.394	4.518	0	10	BJAE	
CCC(CC)CCC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	2300683054	FSKPWSOAGPEFCW-KKUMJFAQSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCC(CC)CC)[C@H]1C	2300688609	OUTHVUURNIRJQG-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CCC(CC)CC)C1	2300701349	QRFADUYMACJPFM-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CC(=CC[C@@H]1CCCCC1=O)CCCC(C)C	2300893958	ZKEZTKOZIZLHQB-HNNXBMFYSA-N	236.399	4.908	0	10	BJAE	
CCCCCCC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2301099533	VLAMMTGBEZTZHK-KKUMJFAQSA-N	236.399	4.742	0	10	BJAE	
CCC(=O)c1cccc(C2CCC(C)CC2)c1	2301288540	HCIQRYYZAFDYNI-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CN(C[C@@H]1C=CCCCC1)c1ccc(Cl)cc1	2301350154	HMBAAJAALJXUDL-CYBMUJFWSA-N	249.785	4.523	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@@H](C)[C@@H](C)C(C)C	2301912889	MUARPGLVZKNAEF-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CC1(C)CC[C@](N)(CCCC2=CCCCC2)C1	2302328085	GAOPCRKUVZOOCL-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CCCC1=CCCCC1	2302348088	ZEMXFLHYZGCFBW-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@](N)(CC)CCCC1=CCCCC1	2302357963	AZQNHRHFEMRLRW-MRXNPFEDSA-N	237.431	4.955	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CCCC1=CCCCC1	2302359254	OZTIQAKPOLNATJ-GOEBONIOSA-N	238.415	4.844	0	10	BJAE	
CCC1CCC(CC[C@@H]2CCCC[C@H]2N)CC1	2302659533	AMFWHZWOSVBRET-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCC(C)=C(C)C1	2303461737	MBOLUBLSIJWWGT-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CC12CCCCC2	2307899262	BIGNEWCLWZGYMH-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C12CCCC1CCC2	2307907698	DHHCISMUUHICSM-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc(C(F)F)o1	2307927376	YSDIUMURGGETJO-VIFPVBQESA-N	244.281	4.616	0	10	BJAE	
C[C@H]1C[C@H](C[C@@H]2CCC[C@H]2C)Nc2ccccc21	2308259954	MKYAVKPPAAZYNM-CBBWQLFWSA-N	243.394	4.801	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1	2309170698	AGPINBKLDMOWET-XOUADPBQSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)C1[C@@H](C)[C@@H]1C	2310135718	ABJGVTIAZAJKEG-ZQIUZPCESA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@](C)(N)c1ccc(C)c(CC)c1	2314711239	KAWYCZSMUBPRSX-QGZVFWFLSA-N	247.426	4.702	0	10	BJAE	
N[C@@H](CCCC1CCCCCC1)c1ccccc1	2316880713	YNQKHHMLZVMDKE-KRWDZBQOSA-N	245.410	4.827	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C[C@@H]1CCc2ccccc2N1	2317998631	SYHBHPSXPHLBAK-DZKIICNBSA-N	245.410	4.732	0	10	BJAE	
CCCCc1ccc2occ(C(C)(C)OC)c2c1	2318307374	GPPPUKUOVHSNBN-UHFFFAOYSA-N	246.350	4.657	0	10	BJAE	
CCCC1CC(CNCCCC2=CCCCC2)C1	2318547403	BDQJSTAUCXFJFH-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)[C@@H]1CCCCN1CCCC1=CCCCC1	2318596200	XDIPZQDZJMAHAV-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CC(C)c1cccc([C@H](N)CCC[C@H]2C[C@H]2C)c1	2318939009	PCCIDMHYJVNMEQ-UKPHBRMFSA-N	245.410	4.636	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)C2(CC3CC3)CCC2)C1	2319035775	ZMZHZOOKFQLIDL-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C(CCC[C@@H]1C[C@H]2CCC[C@@H]2CN1)CCC1CC1	2319120590	FJSZCVXHXUKYHL-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C=C[C@H]2CCCC[C@@H]2N)CC1	2319203956	MJYRUWAFXXSBGX-BACDZXNISA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC[C@@H]2CC[C@@H]2C2CC2)CC1	2319731427	UEZKUOLBZAAMMD-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC=C([C@H](N)[C@@H]2CC[C@H]2C(C)(C)C)CC1	2320211674	QPIYCAIQCXCDIL-KFWWJZLASA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCC(C)=C(C)[C@@H]2O)CC1	2320349419	ZAYRHPIAQWXYGH-ZACQAIPSSA-N	248.410	4.620	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@@H]1CCC1(C)C	2320402976	XKAFVXZWDQDHGC-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)c1cccc(C2CCC2)c1	2320649856	GTOWKDJBVTXTBK-GDZNZVCISA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cccc(C=O)c2)c1	2327672634	GYHCYNIDPYDPSS-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CCC[C@H](CC)CN1c2ccccc2CC[C@H]1C	2328101338	IHVGCACGMKVKPE-CABCVRRESA-N	245.410	4.654	0	10	BJAE	
CC[C@@H](C)[C@@H](N)c1ccc(C2CCCCC2)cc1	21815693	OBDIGBYQOIFCEV-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CSc1ccc(C/C=C/c2ccccc2)cc1	34456208	TVLMWDBESBYGBJ-VMPITWQZSA-N	240.371	4.664	0	10	BJAE	
Cc1cccc(C(C)C)c1NCC1CCCC1	41258024	WUFFBBWVQOCAQE-UHFFFAOYSA-N	231.383	4.721	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)c1ccccc1Cl	50399688	ZZDLDLBVVJWMMI-NEPJUHHUSA-N	239.790	4.569	0	10	BJAE	
C[C@H](CNc1ccccc1)SC1CCCCC1	53623546	KVCTVZYXKBNDNR-CYBMUJFWSA-N	249.423	4.553	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)c1)c1ccco1	54083365	AAZSEIHNNKGBBL-HNNXBMFYSA-N	243.350	4.966	0	10	BJAE	
Cc1nc2c(C(C)(C)C)cccc2c(Cl)c1C	71174897	WCAZPTYTKTWALM-UHFFFAOYSA-N	247.769	4.803	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](CCN)C(C)(C)C)cc1	76633225	BQTYJOFJLJULHG-XJKSGUPXSA-N	247.426	4.679	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccc(Cl)cc2)[C@@H]1C	82857310	HFAFOFWOVPRZFS-JTNHKYCSSA-N	237.774	4.577	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CCC(C)C)CC1	83520687	FUEOQRFGUSSZTL-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]1Nc1ccc(C(C)(C)C)cc1	86669667	NWVVVQHFLBYHFL-IUODEOHRSA-N	231.383	4.585	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCC2CCCC2)CC1	86904611	NLEYSSUQBFMMFA-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCCCCC1(C(=O)O)CCC(C)(C)CC1	87940576	DPOZIRWRLMMTFQ-UHFFFAOYSA-N	240.387	4.628	0	10	BJAE	
CC1(C)CC(=O)c2cc(C3CCCCC3)ccc21	94270275	SBSYVDBAGDCAPH-UHFFFAOYSA-N	242.362	4.598	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)C2CCCC2)c1	109761337	BIAUZOMQYYEMEU-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
Cc1cc(OC(C)C)ccc1NC1CCCCC1	109912440	WLWVGCHIZAPIGN-UHFFFAOYSA-N	247.382	4.527	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)c1ccc(C)cc1C	109944658	RVVOWZGXRVGLFB-GJZGRUSLSA-N	233.399	4.533	0	10	BJAE	
CCC1CCC(O)([C@@H]2CCCC[C@@H]2CC)CC1	111745431	URXRSAHNNLCJDG-PWUWZPNHSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1CCC(C)CC1	111746077	KOKFYORTMWHRBL-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@@H](C)C(C)(C)C)cc1	122587349	XTZBHFTXDZVDAE-KBPBESRZSA-N	247.426	4.895	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@H](C)CCC	126810997	SGUYUBGRTPFRFL-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)c1cc(C)cc(C)c1	132470457	JUEOOZWMBLVQGO-HOTGVXAUSA-N	247.426	4.923	0	10	BJAE	
CCC[C@@H](C)C[C@H](CC1CCCCC1)NCC	162109678	ZWEGPQAKSQRCPD-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
c1cc2c(c(-c3ccc(C4CCC4)cc3)c1)CCN2	168941541	IWUBFODVBJTWGQ-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@H](C)CCC	203425640	JVROYZIZPLFSFN-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
C1CC[C@H](CNC2CC2)[C@@H](CC2CCCC2)CC1	211977284	CTQUKNKFZWHQPL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](S[C@H](C)c2cccc(N)c2)C1	226536224	AIZOLRUIBLYWSX-LALPHHSUSA-N	249.423	4.642	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@@H]1CCC[C@@H](C)C1	227173234	HUMXLWVZOVGHHM-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC1CC1)c1cc(C)ccc1C	229553028	SMRCHKFHWSLKRU-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCC(C)(CC)NCc1ccc(C(C)(C)C)cc1	230954765	IETGQCALYVHVCH-UHFFFAOYSA-N	247.426	4.652	0	10	BJAE	
CC(C)=CCNc1cc(Cl)c(F)c(Cl)c1	232637103	QALQYLUPXVQZKA-UHFFFAOYSA-N	248.128	4.511	0	10	BJAE	
CCCC(CCC)[C@H](O)C1=CCCCCCC1	232916263	SGVXHDKVFRFNPN-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)C1(C)CCCCC1	234428946	AXUOFJZFDANCIR-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](C[C@H](C)CC)C1	251186457	SLCYMTGEAAKGMB-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@H](C)c1cc(C)c(C)cc1C	251960038	VOOINQDREJEUIQ-IUIKQTSFSA-N	247.426	4.697	0	10	BJAE	
CCC(CC)c1cccc(C2(N)CCCCC2)c1	258365178	PJSCJPYQJGYYHV-UHFFFAOYSA-N	245.410	4.708	0	10	BJAE	
CCC[C@H](C)[C@@]1(O)CCCC[C@H]1c1ccccc1	300460718	BNXOZBKABFYCCT-XIRDDKMYSA-N	246.394	4.512	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(C)c(CC)c1	300936551	XABPOBGPSXCECL-CYBMUJFWSA-N	219.372	4.548	0	10	BJAE	
Cc1cc(S[C@H]2/C=C/CCCCC2)ccc1N	302542779	YVTAAPAYBSUQIS-IYNGYCSASA-N	247.407	4.558	0	10	BJAE	
CCCC[C@H](CC)C[C@@](O)(CCC)C1CC1	304333257	NUPXTLKFSDFZIZ-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](CCC1CCCCC1)[C@H](N)c1ccccc1	305895185	DPIHVHCEVJNRBY-YOEHRIQHSA-N	245.410	4.683	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cccc(C2CCC2)c1	305953015	DCXJSVYHXUVTQB-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
Cc1cc2c(Cl)csc2cc1C(F)F	306770712	AWIGOXQWZQXUPO-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCc1cc2ccsc2c(Cl)c1Cl	306941043	QJRMWTUMTYEEQY-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CSc1ccc(Cl)c2scc(Cl)c12	307218470	VRRRRSFUFMPPPV-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
FC(F)(F)Sc1csc2ccccc12	307299926	ZNOQBLLUDZLGRE-UHFFFAOYSA-N	234.267	4.513	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C1CCCCCC1	308103930	ICFRTFTYNYSFAB-OAHLLOKOSA-N	238.415	4.988	0	10	BJAE	
CCCC(CCC)NCCC1(C)CCCC1	309388383	RUTPERFPJCTDAK-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](CC1CCC(C)(C)CC1)NC	310128769	KCUCUBVOKMVHOK-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@@H](C)C1)C(CC)CC	310294751	AJXXLHLUORZEMF-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2(CC)CCC2)C1	310311540	DWSLGDPLVTUGAQ-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1ccc2sccc2c1	318711543	FXBWUAPWCKYJLW-RWSFTLGLSA-N	248.391	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1ccc2sccc2c1	318711545	FXBWUAPWCKYJLW-ZIBATOQPSA-N	248.391	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](O)C(C)(C)C(C)(C)C)C1	379841517	GUIVOXYKJPEXRJ-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CCC1(CNCCCCCC(C)C)CCCC1	383211651	CGEWLPXPTMFOPM-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C[C@@H](C)c1ccccc1	384893133	LWWVVNYODZQMBC-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H](C)c1ccccc1)NC	385187693	PQQFMHXDOAZFNM-UXLLHSPISA-N	247.426	4.595	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1CCCCC1)C1CCCC1	387550630	TXWMKWJLTSHXOB-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc([C@@H](O)C2(C)CCCCCC2)c(C)c1	394660630	KMQCOHSYJFOKIB-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CCc1c(F)ccc2cc(C(F)(F)F)sc12	396300292	OTOVQEFDFIHSQB-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1ccc(N[C@H](CC)[C@@H]2CC2(C)C)cc1C	397631897	OMKRKUJWBBWHDG-JKSUJKDBSA-N	245.410	4.794	0	10	BJAE	
CC(C)=CCCN[C@@H]1CCCC[C@H]1C(C)(C)C	397743359	LXLXTJHYOGEROC-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@@H]1CC1=CCCC1	400629545	KPEDWPRNYSQRRL-SJORKVTESA-N	249.442	4.683	0	10	BJAE	
CCCC1CCC(CN)(CCCC2CC2)CC1	406005080	PAXLEDBLTJXMAW-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC(C)c1cccc([C@]2(O)CCC[C@@H](C)CC2)c1	688939707	PTKIFZBQIQVSEG-PBHICJAKSA-N	246.394	4.598	0	10	BJAE	
C1CCC(CCCNCCCC2CCC2)CC1	689067252	PGYDJKCSVYYUHW-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC(C)NCC1(C[C@H]2CCC[C@@H](C)C2)CC=CC1	690486126	SEDFZYDZVRULQN-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H]2CC3CCC2CC3)c1	691722466	MUNNGLZPCBEDHQ-GPANFISMSA-N	243.394	4.542	0	10	BJAE	
C1CCC(CCCN[C@H]2CCCC23CCC3)CC1	694047894	XQSQQBAYNAQXRU-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)C(C)(C)CC	695106533	KMUOSXMEEBVZHI-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@H]1CCCC[C@H]1C	704798203	UHNNZJSZWUPUQT-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)CCCC(C)(C)CC1	704832091	ILAMSVULRLGCRE-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC([C@](N)(CC)C2CCCC2)CC1	704914891	QLEGXBAZHAGRAW-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CCCC[C@H]2C)c(C)c1	704920467	BLHCZNVORIHPSC-IUODEOHRSA-N	244.378	4.621	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC[C@@H]1CC=CCC1	706891627	XGWSNWLGASTNOZ-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)c1ccc(C2CCC2)cc1	708265257	QEBPFKAQKOCNAZ-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H]1C[C@H](C)CC(C)(C)C1	708803367	HSZPMQGPKFPHNL-XQLPTFJDSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](C[C@H](N)CC(C)(C)C1CC1)CC(C)(C)C	709090933	QMLRTFKEESSPBO-JSGCOSHPSA-N	239.447	4.602	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)[C@]12CCCC[C@@H]1C2	709132564	PZXVNQHRUNVWDP-XJKCOSOUSA-N	247.357	4.515	0	10	BJAE	
CCC1(CC(=O)[C@@H](C)CC(C)(C)C)CCC1	709240236	ZXOZLNDLIHGOQN-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](CCC(=O)c1ccccc1)CC(C)(C)C	709270970	HDKWGDUXWZHEPA-ZDUSSCGKSA-N	232.367	4.722	0	10	BJAE	
c1cc(N[C@@H]2CC3CCC2CC3)cc(C2CC2)c1	709660750	CDKCPTKLXYTZOO-MKTAYPAQSA-N	241.378	4.555	0	10	BJAE	
CC(C)(CC(=O)CC1=CCCCC1)CC(F)F	710438947	ZWZKXTKMYCHPDK-UHFFFAOYSA-N	244.325	4.518	0	10	BJAE	
C[C@H](N[C@H]1C[C@H]2CC[C@H](C2)C1)C1CCCCCC1	711140712	CXJWKPBQMOINKD-MPTYRVRUSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1C[C@@H]2CCCC[C@@H]21	712486408	FBYATXQUJJWEOU-VGWMRTNUSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CC(C)(C)CC[C@@H]1C	713040383	AWCCUDYQVDFBOA-KCQAQPDRSA-N	239.447	4.616	0	10	BJAE	
CC(C)CC(O)(CC(C)C)CC(C)(C)C(C)C	713147373	VUMYSDPOJIXNHM-UHFFFAOYSA-N	242.447	4.882	0	10	BJAE	
CCC(C)(C)CC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	713368975	RMZVYLXGGFUBNQ-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CCC(C)(F)F	714025238	GGKFUBVUDYMKAJ-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714427089	XQNGCSJDZKMLBS-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CCCC[C@@H]1C(C)C	718691774	NUABBRLXPUQGPZ-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)CC(=O)CCC(C)=C(C)C	718779605	XLYKTQQEZWQGIC-UHFFFAOYSA-N	210.361	4.518	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCCCCC1(C)C	719196989	POEOAFPSCXKKCD-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H]3CCC[C@H]32)cc1C	722082095	UXYSIMOZMNCBHC-USXIJHARSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@H]2CCCC3(CC3)C2)C1	723559586	JHDFBLVGEYWZLD-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C[C@](C)(N)CC2CCCCC2)C1	723578501	HHCABPCYZALQTQ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCc1ccc(NCc2csc(C)c2C)cc1	1199498901	VGOLERQAUZRASY-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCC[C@@H](N[C@@H](C)CC(C)(C)C)C1CCC1	1205702315	CHMJMASOFVIKRE-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C)CCN[C@H](CCC)C1CCCC1	1207358559	WNVGYXXBHFXGNK-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCCC1(NC[C@H]2CCCC(C)(C)C2)CC1	1461810282	JRBHSKOPAOKCFP-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@H](CNCC[C@@H]2CC=CCC2)C1	1658437644	ZEORTVBAIALEOB-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CCC(C)=CCc1cccc(C)c1Cl	1888061239	QJKOOCQDQIYAFR-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CCC(CC)CCOc1cccc(Cl)c1C	1900692110	ZZVNEJDHXASUEX-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
CCC(CC)CC[C@H](N)CC1(C)CCCC1	1900694580	AIEIRADEHFHIEK-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CC[C@@H]1CC(C)(C)CCC1=O	1900713967	SQIZHAAOPUFHSE-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@@H](C)[C@@H](C)C(C)C	1901681896	IYZREVOQIBTGII-RYUDHWBXSA-N	240.774	4.708	0	10	BJAE	
Cc1sccc1-c1cccc(C2(C)CC2)c1	1901898848	SQUDRFTYRITDRV-UHFFFAOYSA-N	228.360	4.775	0	10	BJAE	
CCCC[C@](C)(O)CCCC1=CCCCC1	1901960160	OIEZWYIUNZLKTP-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CCC)C1CCC1	1905398383	NCIPSOGELZPOER-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](CC=CCCNC(C)(C)C)c1ccccc1	1911991630	FOYVFCHWFSOHPS-HNNXBMFYSA-N	245.410	4.515	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@@H]1C[C@@H]1C=CCCC1	1916016280	WKTTXJQERCXSMD-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@@H](C)CC1=O	1916085387	KHNIJRCNBRTYBR-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	1917416593	RTNAXGXXYJGYBQ-WRQOLXDDSA-N	249.442	4.514	0	10	BJAE	
CCCC1CC([C@H](O)c2cccc(C(C)C)c2)C1	1921180731	MXDJWHDIEQNNBF-QWFMPGPPSA-N	246.394	4.670	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)[C@H]1CCCC12CCC2	1921603817	OJAVVPQVRPBPJS-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H](C)C1CCCC1	1924101625	SVRUYRCIRDBJNN-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
C1=C[C@H](C[C@@H]2C[C@H]3CC[C@H]2C3)CCCC1	1925819394	JZMSTBVPNRZQFN-ZQDZILKHSA-N	204.357	4.559	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)C(C)(C)C1CCC1	1925949594	SPVJBENEZLEDAS-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCN[C@H]1CCC[C@@H](CC)CC1	1926160010	RXBUEWUWGPBFQL-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cccc(Cl)c1C	1939407816	QPVHRIXMZARGKW-LBPRGKRZSA-N	237.774	4.639	0	10	BJAE	
CCCC(CCC)[C@H](O)CCC[C@H]1CC1(C)C	1940881904	HSNHQFWWHXERSL-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](O)C[C@@H](C)C(C)(C)C	1941243904	QAUCFSVRJBBOKB-KFWWJZLASA-N	242.447	4.738	0	10	BJAE	
Cc1cc(N)c(SCC2CCCCC2)cc1C	1941747816	HDFCKRLEAGJZSZ-UHFFFAOYSA-N	249.423	4.558	0	10	BJAE	
CCN[C@@H](CCCC1CCC=CCC1)C(C)C	1941792234	CBRFYZKJQMKUDM-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)CC1CCC=CCC1	1941826878	TYHMVSVGLPMITD-AWEZNQCLSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H](C)CC1(CNC(C)(C)C)CC(C)(C)C1	1941982132	OIBGIEKWVOQKNB-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)(CC(=O)c1sccc1C1CC1)C1CC1	1942503469	KOLFWSPRHWNZFG-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1C[C@@H](C)C[C@H](C)C1	1943047007	OISMFDSMWXLVPP-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	1945312032	VGMNBJVBSZCAEE-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CCCCC(=O)CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C	1948427264	GMUZFYNBXKFBFJ-KCQAQPDRSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C)NC1CC2(CCCC2)C1	1948474136	LBXXNFUFZCTFOH-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CCCCCC[C@@](N)(CC)c1cccc(C)c1	1948965215	ZAZSPXOZIZVZON-INIZCTEOSA-N	233.399	4.529	0	10	BJAE	
CCC(C)(CC)[C@]1(N)C[C@@H](C)CC[C@H]1C(C)C	1949088511	WSVRJGSKTCANGR-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)CCCC2CCC2)CC1	1950907593	FVJFJNUNXIKOFS-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CCC[C@H](C)CC1	1950923476	ULLFWAZDFOUHIL-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1C(C)=CCC[C@H]1C	1950968568	LRWCGGLYBMYEGY-QLFBSQMISA-N	237.431	4.523	0	10	BJAE	
CCc1cc(NC[C@@H]2CCC(C)(C)C2)ccc1C	1969681744	XILZOAAIRJNUFH-CQSZACIVSA-N	245.410	4.796	0	10	BJAE	
CC1(C)CC[C@H](CN2CCCCC23CCCC3)C1	1969787710	AJVFPFLRYPSLRR-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H](Nc1ccc(CCF)cc1)C1CCCC1	1970091913	AXLKWPYIKTVLQE-MRXNPFEDSA-N	249.373	4.579	0	10	BJAE	
CC(C)(C)C1CC(NC2CC3(CCCCC3)C2)C1	1972427928	BJSVMZSEMNVGAR-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](NC[C@@H]1CCCC12CC2)C1CCCCC1	1973088210	XDQSSCBTAUZAIR-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@@H]1CCC2(CCCC2)C1	1973447402	ROOIATMLKOTRDD-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
C[C@]1(CCC2CC=CC2)CCCCC1(F)F	1979998056	VAMXVBQXVNSTEY-CYBMUJFWSA-N	228.326	4.948	0	10	BJAE	
CC=CCCCNc1cc(C)c(Cl)c(C)c1	1984614902	AHVXUBAIZGTXGT-UHFFFAOYSA-N	237.774	4.725	0	10	BJAE	
CCCC(C)(C)CN[C@H](CC)CCC(C)C	1986948115	LVUMQMRGMCBGJY-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](CC)Nc1ncccc1Cl	1990048660	GSAOUUBJMZVNET-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CCC1(C[C@@](N)(CC)C2CCCCC2)CCC1	1996567671	CMIYTTGRRPOAMG-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](C[C@H](N)CCC1CCC1)C1CCCCC1	1998030624	SNWFCIFXKFQKRZ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](C[C@@H]1CCC=CCCC1)NC	1999994922	ZQLXSUHLUBGJQL-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H](C)CC(C)C	2000189620	ZZHMVEROLSJUSQ-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@H]1CC12CCCC2	2001250153	JZCBUECFXXRCKZ-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CC12CCCCC2	2001272529	DOPJYALYERURPM-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CCCC2(C)CC2)C1	2002974999	VQBKBMRKXUQCCY-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C[C@H]1CCCC2(CC2)C1)NC	2003217007	HECAABGYLSWNIS-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@@]1(C)C=CCC1	2003326323	YHYRANLSXCVGJS-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CC=C(C)C)c1csc2ccccc12	2004235335	YHZHDMKKWYKRKQ-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
CCCCCC[C@@H](N)[C@@H]1CCCCC12CCC2	2005593052	XZEPUPVTKCWPER-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
C[C@H](C[C@@H](O)C=C1CCCCC1)CC(C)(C)C	2007924121	XUFBBQBZOAJJQU-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCCC[C@H]1NCCC	2009616096	FZXJWNQNBXFEHP-BYQDXSGLSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@@H](CC1CC(C)(C)C1)NCC	2009616903	NHKQBGQWOVHQRB-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C1=CC[C@H](CC)CC1	2010712557	AKPBXIPCABYCSL-NUEKZKHPSA-N	238.415	4.556	0	10	BJAE	
Cc1ccc(Cl)cc1NCC[C@@]12CCC[C@H]1C2	2010994590	HQAIVTZPCQTGIG-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CCCCCC12CC2	2011287979	KBNLTCRFUBEPQX-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccc(NCCC[C@H]2C[C@@H]2C)cc1	2011584493	SPJHTFDRXALBFC-ZFWWWQNUSA-N	231.383	4.658	0	10	BJAE	
CC[C@@H](C)C1(N)CCC2(CCCCCC2)CC1	2013211278	IOJFFTSCQDBBGI-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)C[C@@H](N)c1sc2ccccc2c1C	2014292413	OUGOJAGVYPREEA-GXFFZTMASA-N	247.407	4.646	0	10	BJAE	
CCCNC[C@@]1(CC(CC)CC)CCC1(C)C	2014849906	RFWJCZBXBCYBMF-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CC1(C(C)C)CCC1	2017114663	ODHUPHBGRBLVTB-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)N(C)CC1(C(C)(C)C)CCC1	2017129838	UBOUYTVWQVRCOO-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C(C)=C(C)C	2017488005	URHNAVXWEJUVBW-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)CC2CCCC2)CC1	2017731411	RCYCQXDDVUFRCJ-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](N(CC)C2CCCCC2)C1	2019203254	OCRBFXNKRMTXCL-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@@H](C)N(C)C[C@H]1CC[C@H](CC)CC1	2019480809	OTUIPUODRHCNGK-BZUAXINKSA-N	239.447	4.713	0	10	BJAE	
CCN[C@@H]1[C@@H](CCCC(C)C)CCCC1(C)C	2020361874	TZAMAIZAMIBUTA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CCCC(C)(C)C2=O)C1	2020394909	YCCYQBMOXNNUON-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H]1CCCC[C@H]1CC	2020973279	DLERHSAMXUVTDG-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC1(CC[C@@]2(C)CNC(C)(C)C2)CCCCC1	2022140098	BZKFXAWCUJSNDJ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)CC1CCC(CC)CC1	2022416434	CNOXVNYATUYTDI-PFSRBDOWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](C)(CC=C1CCC1)CNC(C)(C)C	2023261021	YHVIWGUCQDQCRD-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC1CCC(C[C@H](N)CC=C(C)C)CC1	2023326572	ZUONEXVZYKVFHH-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CCC[C@H]1C1CCCCC1	2027006192	JRYPDCPRLHJTKQ-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CCCC[C@H](N[C@H]1C[C@H]1C(C)C)c1ccccc1	2028463735	AKJCWRJKESBZKN-ULQDDVLXSA-N	245.410	4.552	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)c1ccoc1C	2028643323	IJGKRAJCFAAISM-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C1(C)CC(C)(C)C1	2029104621	KRAWFPJOOAHRKJ-HNNXBMFYSA-N	246.394	4.670	0	10	BJAE	
CCCc1ccccc1C(=O)C1(C)CC(C)(C)C1	2029104980	MFVFTCCYFAHKSZ-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccccc1C1(C)CC1	2032242466	HWTCQRITAJWBFZ-DZGCQCFKSA-N	243.394	4.729	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNC2(C)CCCCCC2)C1	2033411044	ZSKCAOFYXWNFSR-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)NC[C@@]1([C@H]2CCC2(C)C)CC=CCC1	2033573664	WJWJNLSQVVWKFT-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](NC2CC(C3CCCCC3)C2)C1	2033788021	RHEOKBVFKNYWRG-PXZKZTPFSA-N	249.442	4.514	0	10	BJAE	
N[C@H]1[C@H]2CCCC[C@H]2C[C@H]1CCC1CCCCC1	2034269074	OITVLYLFJRLQAG-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C[C@H]1C=CCCC1	2035601349	SEQWLWRTGZRRLO-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CNCCCCCCCc1ccc(C(C)C)cc1	2036111217	BKKFPSDHFJNUGP-UHFFFAOYSA-N	247.426	4.522	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1ccccc1C1CC1	2037136813	GPLUHPDXTZBLIV-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC1CCC(CC(=O)CC2CC3(CCC3)C2)CC1	2037977339	VPLSBZOMCSPRAM-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C=CC=CCCC[C@@H](CC1CCCCC1)NCC	2038165301	LZFQZNPTBDUACW-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
C[C@H]1C[C@H](C(=O)CC23CCC(CC2)C3)CC[C@H]1C	2039422887	YEIUOIJPXHDDSD-SFKIEKTPSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)C1(C)CC=CC1	2042015683	CJXNIDXDYHWABA-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CC)[C@@]1(C)CC=CCC1	2042018420	FGOMDOMZDSVLKQ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)cc(C(=O)[C@H]2CCCC(C)(C)C2)c1	2045450271	OHGCQJIOYMRLHW-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CCCC1([C@@H](CC2CC3(CC3)C2)NCC)CCC1	2045795905	CJYXHARROUPNCH-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)C1(C(C)C)CCC1	2045799993	QUULNDVTZCTYPK-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@@H](N)C2[C@@H]3CCCCC[C@@H]23)CCCCC1	2048530855	OPWVIDKYJULNDO-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C12CCC(CC1)CC2	2048883547	VITFVWPUAOILOD-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(O[C@H]2[C@H]3CCCCC[C@H]32)cc1	2049201297	TUVJUGIKJFNUAQ-BJWYYQGGSA-N	244.378	4.768	0	10	BJAE	
CCC1CCC([C@@H](C)NCC2(C)CC=CC2)CC1	2049411648	KBHYEOSRSHZERF-QQFBHYJXSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@H]1CCCCCC[C@H]1O)c1ccccc1	2049680992	JRXVBJFURFQLKO-DJIMGWMZSA-N	246.394	4.512	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@@H]2CCC3(CC3)C2)C1	2049848802	LTLHYCYBRMPIEE-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2CCC3(CC2)CC3)C1	2049853452	DYMAYNRQLSFAKZ-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]3C[C@H]3C2)CCCCCCC1	2052500495	JKMOMDQHNAKMAF-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@]1(CNC2CC2)CCCC12CC2	2053352953	XFESVBAIBPEPGK-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](CNC(C)C)(C2CC=CC2)C1	2053693926	IFUZFVDSMDHPKA-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
FCc1ccc(N[C@H]2CCCCC23CCC3)cc1	2055667213	JSTVUZVLMDIDER-HNNXBMFYSA-N	247.357	4.681	0	10	BJAE	
FCc1ccc(NC(C2CCC2)C2CCC2)cc1	2055678169	MWMZMNWDVXEBIH-UHFFFAOYSA-N	247.357	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@H](N)C[C@H]1C=CCCCC1	2056447532	JTVHBDYWACRYST-LUKYLMHMSA-N	249.442	4.523	0	10	BJAE	
CC[C@](N)(CC1CC(C2CCC2)C1)C1CCCC1	2056640588	QVQNSIHIJSUKHZ-PGEKIEPBSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H]1CC[C@@H](CC)C1	2056877672	BTHLMBOFPMTKPC-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@]1(N)C=C1CCCCC1	2056918693	BYNONKDYFWBYLS-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCCCC1CC(N[C@H]2CCCC[C@H]2C2CC2)C1	2059394400	VGBGQQVLTBHFGW-KMZOKZLKSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC[C@]23CCC[C@@H]2C3)C1	2061606368	LCTAELAXLMQVSQ-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1N[C@@H]1CCCCCC12CC2	2062015894	BYGFYVKULPLTPA-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H](N[C@@H]1CCCCCC12CC2)C1CCC1	2062017627	ALWJSWTWEOZYDB-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(N)(CC23CCC(CC2)CC3)CC1	2065340339	VNSMNTATZZNJBK-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@@H](C2CC2)C1)C1(C)CCCC1	2067569837	HHGKTXNVBVPHCI-IMJJTQAJSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CC1CC(N)(C2=CCCCCCC2)C1	2067985667	DUICWGWTSRAFRF-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1CC[C@H]2C[C@@H]1C2	2069264622	CXXKJQIWWYGTBC-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2C(C)=CCC[C@H]2C)CCC1	2069289674	MIOFZRGHXGIZAI-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1ccc(C)c(C)c1	2072418688	UXMKQBOXRCVKLQ-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1cc(C)cc(C)c1	2072419722	ZWACZUYVZNPHSH-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
Cc1cccc([C@H](O)CC[C@H]2CC[C@H](C)CC2)c1	2072779196	ZGECKPWPICTBDJ-FRFSOERESA-N	246.394	4.635	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@]2(C)CC=CCC2)CC1	2072821202	KRLZQBXSSQFUHZ-BHUNQDJPSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccccc1N(C)C	2073344649	DIFHVKYXYKROFC-AWEZNQCLSA-N	248.414	4.523	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@@]23CCCC[C@@H]2C3)CC1	2074091886	SQPORCTZGPEWDP-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
C1CCCC([C@@H]2CCNC3(CCCCC3)C2)CC1	2074134283	PMTUDHUUOMTPGZ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC1CCC(N2CC=CCC23CCCCC3)CC1	2075113760	DYELBXJJGWOGTC-UHFFFAOYSA-N	247.426	4.530	0	10	BJAE	
C[C@H]([C@H]1CCCC(C)(C)C1)N(C)CC1=CCCC1	2075173038	PPXZATHDKOADEJ-ZBFHGGJFSA-N	249.442	4.633	0	10	BJAE	
C1=C[C@@H](N2CCC3(CCCCCC3)C2)CCCC1	2075403321	JSZSPUGHXFJODN-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC(C)(C)C1CCC(=C2CN[C@@H]2C(C)(C)C)CC1	2076156130	RFONYGAZIPFZFX-WUJWULDRSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(-c2cccc(O)c2F)cc1	2077931487	YXLHDVCRFQBTER-UHFFFAOYSA-N	244.309	4.541	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)C[C@H]2CC[C@H]1C21CC1	2078341358	YHMVDHKHZGMENU-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1cccc(CC(C)C)c1	2079473269	KALMYAGGTMYPKK-ZBFHGGJFSA-N	244.378	4.504	0	10	BJAE	
C1CCC(CCN[C@H]2C[C@@H]2C2CCCCC2)CC1	2079528529	KAXOKOJORTZQLQ-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]1C1CCCCC1	2079531502	RKRIPDIFLUIPCB-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C(=O)C[C@H]2C[C@H]2C2CCCCC2)C1	2079862394	IIGLLKLYUJVNOQ-HIFRSBDPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC1(N)CCC(C2CCC2)CC1	2079870994	PUVSQETZSCRGCS-JCCCHCCOSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1sc(Cl)c(Cl)c1Cl	2080446915	ANGAUGLYMNVWHL-UHFFFAOYSA-N	229.559	4.832	0	10	BJAE	
CCCCCC[C@H](NCCC)C1=C[C@H]2CC[C@H]1C2	2081677005	GKBGOQPXUGVZEJ-ZOBUZTSGSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)CCCC2(C)CC2)c1	2082943570	BVGVVTOYBFDUDX-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
Cc1cc(C)c(CC2CC(=C3CCC3)C2)s1	2210558528	GYUBYIPDXRKWQO-UHFFFAOYSA-N	232.392	4.798	0	10	BJAE	
CCC[C@H]1C[C@@H]1[C@H](N)CCCCCCC1CC1	2213581851	BCTFYLRVHNPUJU-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCCN1CCCCCCC1CC1	2213583382	RFWYJWJNNIUCAR-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N1CCCCCCC1CC1	2213583976	YBRBUWZNKPTKMG-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)CCCCC1CC1	2214572577	FKULEXJAAQNBER-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CCCCCCCC1CC1)C(=O)O	2216903451	YZLUHMCMZBRRHU-AWEZNQCLSA-N	240.387	4.628	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CC(C)(C)CC)CC1(C)C	2217127543	HSBXZLMAPWDKSH-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1([C@H](C)CC)CCCCCC1	2217136145	HYYBOBVZDCYPSI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@](C)(CNC1CCC1)C1CCCCCC1	2217142447	WJCZXWNSLYMAPG-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C1(CC2CC2)CC1	2218724602	GWJOUSJLXIZYIS-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCCCCN(C/C=C/c1ccccc1)C(C)C	2219078867	RWGOPTXSRCGDQC-JLHYYAGUSA-N	245.410	4.600	0	10	BJAE	
CCCC(CCC)C(=O)C/C=C/c1ccccc1	2219085671	OKXDPICUDUSZHE-MDWZMJQESA-N	244.378	4.875	0	10	BJAE	
CCN[C@H](C/C=C/c1ccccc1)C[C@H](C)CC	2219089242	ZFIKLCBENJHSAS-BZYXRLQRSA-N	245.410	4.504	0	10	BJAE	
CCCC[C@@H](CC)Cn1ccc2cccc(F)c21	2220310112	BMDQVCNELYLCJM-CYBMUJFWSA-N	247.357	4.997	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	2220853664	SAYKRGHNZZVAPW-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CC2(C)CC(C)(C)C2)c1	2221016542	PGQMQKXPLSDYBD-HNNXBMFYSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](NC)[C@@]1(C)CC=C(C)CC1	2221628497	XMQSVZRJHHBGDC-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1C(=O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222950502	XNSVDKCSGYGOFY-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)C[C@H]2CC[C@H]1C2	2223165803	YPYCNZZNXXRZON-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@](C)(N)c1ccc2occc2c1	2224167977	HSVPVNXHYXNNQT-INIZCTEOSA-N	245.366	4.577	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@H](CC)CCC	2244782858	JABPEYZZGOACBW-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC(C)(C)CC)NC	2244786610	VPQYRUZSMPACAK-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@@]1(C(=O)c2cc3sccc3s2)C=CCC1	2246031524	YFZJBPXYJOXGHU-CYBMUJFWSA-N	248.372	4.502	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CCCCC12CC2	2246627371	QKOBYIPEQDVIBN-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC)[C@H](C)CC[C@H]1CCC[C@@H](C)C1	2246656140	JKRZGMZAAFZPQM-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)N(C)CC[C@@H]1CCC[C@H](C)C1	2246659359	HZZBSRZFFRFRLO-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CCC[C@H]1CCC[C@H](C)C1)NC	2246667230	PCVABJYHFJCBKD-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@H](O)CC[C@H]1CCC[C@@H](C)C1	2246683884	IQFUVLLGZZSUOU-FVQBIDKESA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)CC1CCCC1	2247112089	JLVKVYFEPPWFEF-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H]1CCC12CCC2	2247426009	UCLKMIJAKQMFQL-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)CCC(C)(C)C1	2248877783	HJJLWIHVGGXRIM-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@@H](C)c2cccs2)cc(C)c1C	2249497473	VSWBPCSRYCHOKQ-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CCC[C@H](CC)CN[C@@H]1C[C@H](C)CC(C)(C)C1	2250379195	SAFFZOWVDZHHOE-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC=C[C@H]1O	2250479065	PMUAOIOEXQMCBX-HRCADAONSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@]12CCCC[C@H]1CC2	2251158950	QPZHWNCCFBOJHN-OFQRWUPVSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](O)c1cccc(C2CCCC2)c1	2251229330	ZQEAYHNCSQGREM-INIZCTEOSA-N	232.367	4.568	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251713117	QTZQMOQSNRIDSP-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)C[C@@H]1[C@H](O)C(C)(C)CCC1(C)C	2251718980	NILUDCFFLLYULF-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
CC1CC(C)(C[C@H]2C[C@@H](C)c3ccccc3N2)C1	2253752211	LSDNNNIPNCAKCF-YXXKGXSTSA-N	243.394	4.801	0	10	BJAE	
CC1([C@H](N)CC[C@@H]2CCCCC23CC3)CCCC1	2253848195	BXBYLSJXUNRWLL-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC=CCCCN(C)CC[C@@H]1CCCCC12CC2	2253855338	MYPWWTBZLZOCJF-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CCc1occc1C(=O)CC[C@H]1CCC[C@H](C)C1	2253939872	WHAUBTCGSUQPDO-QWHCGFSZSA-N	248.366	4.631	0	10	BJAE	
Cc1ccc(C)c(NCC2CC3(CCCC3)C2)c1	2254082595	QZECJNPJHUXPCQ-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
C[C@H]1C[C@@](N)(CC2CC3(CCCC3)C2)CC[C@H]1C	2254116736	VWYLWFBDCIOYBQ-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@H]2CCC23CCC3)C1	2255023809	BCWAZDZQSRYGHW-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC[C@@H]1CCC12CCC2)CC1CCCCC1	2255029812	UUBXJSHDLYRCEK-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@H](CC2=CCCCC2)C1	2255140355	LCIBSGJYKFGZRQ-PVAVHDDUSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)C[C@H]2CCCC23CC3)C1	2255230750	ZEZUGSYDXAZFDY-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC[C@@H]1CCCC12CC2)CC1CCCC1	2255257209	CLJPVWAVTOBJEZ-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
O[C@@H](CC[C@@H]1CCCC12CC2)CC1=CCCCC1	2255277004	WZVRNQUXYJNENV-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(NCCCCC[C@H]2C[C@@H]2C)cc1	2257326883	PQZQCRPDSVKCQH-HOCLYGCPSA-N	245.410	4.877	0	10	BJAE	
C1=CCC(Cc2cccc(-c3ccccc3)c2)C1	2257582126	DTMIAGHXIWFVQZ-UHFFFAOYSA-N	234.342	4.862	0	10	BJAE	
CC(C)c1cccc(NC[C@]23CCC[C@@H]2CC3)c1	2260593050	UNKRFORCWFPFIY-NVXWUHKLSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@]12CCC[C@H]1CC2	2260620047	MYVGVBKTQWKYGJ-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC1CC(C(=O)c2cccc(C3CCCC3)c2)C1	2260734037	SUPKCVADKSYAFR-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
Fc1ccc2c(c1)[C@@H](CCCCC1CC1)CCN2	2261348746	PCCBPCSSIUPDHI-ZDUSSCGKSA-N	247.357	4.695	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](N[C@H]2CC23CCCC3)C1	2261386516	OXWKPWLKDBQEMR-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CCC(=O)C[C@H]1CCC[C@@H]2C[C@H]12	2300687998	IXBLVCUEUNTTCD-IIAWOOMASA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCCCC1(F)F	2300702891	ZZVIBNCQTFJXFT-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CCCCN(CC=C(C)CC)c1ccccc1	2300887414	CUOPSTFXUXDEMO-UHFFFAOYSA-N	231.383	4.649	0	10	BJAE	
CC(=CC[C@@]1(O)CCC[C@@H]1C)CCCC(C)C	2300914230	OWFMPIUGHRNBHO-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1C[C@H](C)C1C1(N)CCCCCCCCC1	2301299425	WQWVNMAVLAQOPA-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCNCC(CC)(CC)[C@H](C)[C@H](C)C(C)C	2301839176	HABVFHSRRABYIG-HUUCEWRRSA-N	241.463	4.721	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)[C@H](C)C(C)C	2301923469	JWYCHPTUMOLOET-KGLIPLIRSA-N	233.399	4.650	0	10	BJAE	
CC=CCCC[C@H](CCC[C@@H]1C[C@@H]1C)NCC	2302611174	BLDCBDOJYNVTMD-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC1(CC(=O)[C@@H]2CC[C@@H]2C(C)(C)C)CCCC1	2303398140	ZOXNQSCPFDIGRB-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCN(C[C@H]1CC[C@@H]1C(C)(C)C)C(C)(C)C	2303510921	LADSYRXSISZWRC-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C(C)C)CCC(C)=C(C)C1	2303585878	YFWFJPIVNGFWEA-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC[C@@H]1C[C@H]1CC	2303609075	CHLRTNPRIBUJQM-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@]2(C)CCCCN2)C1	2304432521	WDLMKKXEZRUVGG-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C)[C@H](C)CC[C@H]1CCC(C)(C)C1	2304439427	JVIWMBICCSYYCH-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCCC12CCC2	2307756100	KRHPFOBFNJVLLW-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)CC1(CN[C@@H](C)CC)CCC1	2307837094	FBQXHAVYVVGLHN-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](C=C1CCCC1)[C@@]1(C)CC[C@@H](C)C1(C)C	2309910888	ZPEVBQKSYKQLAW-UKPHBRMFSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2C[C@@H]3CC[C@H](C2)N3)CC1	2311020673	GFDYRXNBOTWCNT-YQLLOFTFSA-N	249.442	4.514	0	10	BJAE	
CC=C(CC)[C@H](C[C@H]1CCC[C@@H]2C[C@H]12)NCCC	2311328744	SKRQBQCLKIBXPL-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@H]1C[C@H](C)c2ccccc2N1	2311571055	DIOFBSCQSNKDGF-NHIYQJMISA-N	243.394	4.657	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)C1	2312960924	ZMTVHAYHQRYVQJ-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CC1)N(C)C1CCC2(CCCC2)CC1	2313640478	AQFRDEGPCAQTSR-CQSZACIVSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)c1ccc(C)c(CC)c1	2314698051	VMTYMMNSQVAWSC-IAGOWNOFSA-N	247.426	4.630	0	10	BJAE	
CCc1cc([C@@H](O)[C@@H](CC)CC(C)C)ccc1C	2314698534	ZWXZZYKJJIDWDX-RDJZCZTQSA-N	248.410	4.663	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H]1C[C@@H]2CC[C@H]1C2	2316541506	GXTUADJAKKHYAJ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@]12CCCC[C@H]1CC2	2316543000	VRQOTAZDFACBBU-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316697075	JSGFXEWHXDWXFW-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316792264	RQZYUUJSHBUEOC-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C1(C2CC2)CC1	2316872226	HXOXBHBJVHARDN-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CC2CCCCCC2)C=CCC2(CCC2)C1	2316874182	KDHGXQZBZCWACT-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317207181	RZFGZJPLFGNKIQ-RBSFLKMASA-N	248.410	4.764	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)[C@H](C)[C@@H](C)C(C)C)cc1	2317906644	JBJMKBRJCQITLL-ZNMIVQPWSA-N	246.394	4.596	0	10	BJAE	
CN[C@@H](CCC[C@@H]1C[C@H]1C)CCC1=CCCCC1	2317973145	CNVJUHNZIDFUIF-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1[C@H](NC2CCC3(CCCC3)CC2)CC1(C)C	2318250990	IOBDJQJZKJFVCR-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1C(=O)CCCC1=CCCCC1	2318501435	AGSYNARCAVBWAV-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
CC[C@@H](NCCCC1=CCCCC1)[C@H]1CC1(C)C	2318523984	JJWBXZMWOGTBQF-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
N[C@](CCCC1=CCCCC1)(C1CCC1)C1CC1	2318542081	VWWYKZRJCIUWKC-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CC(=O)CC3(CCC3)C2)C1	2319134160	GWLJVOKBJWWCGV-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC[C@H]1CC[C@H]1C1CC1	2319738377	PPGZLMUMRCBEQA-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC(=O)C1(CC2CC2)CC1	2320247514	BTJRCKPSTJLFKG-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC(=O)C1(C2CCC2)CC1	2320259211	RVZWFCUDMNZLBZ-OCCSQVGLSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CNC2(C)CCCCCC2)CC1	2320422254	GMGLAZCKBMMKEN-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](N[C@H](CC1CC1)C1CC1)C1CCCC1	2320518011	ZDNXLFIFYJEIFD-IAGOWNOFSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](N)(CC)c1cc(C)ccc1C(C)C	2327683231	XLOXOQMUHRHVHT-KRWDZBQOSA-N	247.426	4.873	0	10	BJAE	
CCC[C@@H](C=C1CCNC2(CCCCC2)C1)CC	2328082216	ABBILAUWGMVMIP-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
CCCCCCNc1ccc(Cl)cc1C	20359106	SDJQGDOJZWCKGM-UHFFFAOYSA-N	225.763	4.641	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccccc1OCC	20519932	OWFLWIWXOSQSEM-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cccc(C)c1C	21515485	AAVMABISOKRKEF-SWLSCSKDSA-N	233.399	4.930	0	10	BJAE	
CCCC[C@@H](NCC)c1c(C)c(C)cc(C)c1C	35547051	TXSGKYCEFJPNEP-MRXNPFEDSA-N	247.426	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)C2CCCCC2)C(=O)C1	69405913	UTINABBQZYQQAJ-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CCC[C@H](N)C(C)(C)C	70743276	KCKFZUSSXAGNHU-KBPBESRZSA-N	227.436	4.747	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@@H]1CCC[C@H](C)CC1	86879737	XGCXITSNLIZRRX-NUEKZKHPSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(C)cc2F)CC1	86896504	HWYCKEZWCDTSQP-ZIAGYGMSSA-N	249.373	4.905	0	10	BJAE	
CCCCCC[C@@H](NC)C1CCC(CC)CC1	87937389	DWZYOEMYPACSJQ-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CC[C@H](C)[C@H](C)C1	93073944	DBHNUAYMHJACHV-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](CNC(C)C)c1cccc(C)c1	93126866	NGHZRWIDXZQGOP-YOEHRIQHSA-N	247.426	4.513	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCS[C@@H]2C)c1	94475764	OIEBITXAEODHDQ-IUODEOHRSA-N	249.423	4.506	0	10	BJAE	
CC[C@H](CCC(C)=O)c1ccc(Cl)c(C)c1	107618451	GZWGPPITFVKQEY-GFCCVEGCSA-N	238.758	4.511	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1ccc(C)cc1C	109784788	CYGMLHSPPTZEMI-ZBFHGGJFSA-N	234.383	4.553	0	10	BJAE	
CCc1ccc([C@@H](C)N[C@H](C)C(CC)CC)cc1	111665717	AQQNQYYPTHNJRC-ZIAGYGMSSA-N	247.426	4.724	0	10	BJAE	
CCCCC[C@@H](N)C1(CC(C)C)CCCC1	125359222	BLYJBXIEZBENNZ-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@H](CNCC(C)C)C(C)(C)C	166102461	PASWAWQCCUCKHQ-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
CCC(CC)C[C@]1(O)CCC[C@H](C(C)C)CC1	167645475	VTHRCBWZSXHFHI-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc2c(ccn2[C@H]2CCC[C@H](C)C2)c1	221311462	HTEVZRXMZRVTBE-WFASDCNBSA-N	227.351	4.701	0	10	BJAE	
CC[C@@H](N[C@H](C)CC1CCC1)c1ccc(C)cc1	229681495	QDDNMDSSBSLGFZ-RHSMWYFYSA-N	245.410	4.614	0	10	BJAE	
CCc1cccc(N[C@@H]2CCC[C@@H](C(C)C)C2)c1	230986319	VKBGXGQKYRBQHC-NVXWUHKLSA-N	245.410	4.876	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2C=CCCC2)cc1	232519969	ANDGZTHDFZZBHR-AWEZNQCLSA-N	229.367	4.505	0	10	BJAE	
Cl/C=C/CNc1ccccc1-c1ccccc1	236016292	DXSZCUOTEQNWHU-IZZDOVSWSA-N	243.737	4.518	0	10	BJAE	
CCN[C@H](c1ccc([C@H](C)CC)cc1)[C@H]1C[C@H]1C	251396406	YAICRLFAOSIYCQ-UTJXIGIESA-N	245.410	4.507	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CCCC[C@H]1CC	252606535	QQXFYOJGQSDFLL-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)C(=O)[C@@H]1CCCC[C@@H]1CC	300952955	PGSJVJYSZNORCI-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(CNC(C)C)C(C)C	302379778	PMEMTJHWLOVPKZ-HOTGVXAUSA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)CC1CCCCCC1	305969251	PPXOGEUHFKLSBJ-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
Cc1c(Cl)cc(C(F)F)c2ccsc12	307669225	MZYAQCXTBAZPOZ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CCCC(C)(C)C	308036172	YSZUZZIHEKUSOX-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CCC1CCCC1	308061547	SIRRDGLBTXAKBG-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1cc(C)oc1C	308114866	SUSSUKAGIIHRQR-CYBMUJFWSA-N	236.355	4.542	0	10	BJAE	
CC1(C)CCC(NCC(C)(C)C2=CCCC2)CC1	308761029	YXBTUHVDIUGOTB-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1(C)CCCC1	309381041	QVSHHABHPVPHOV-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)C(C)(C)C(C)(C)C	310540474	CBCZBULLFAIHRX-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCC[C@@H](C)C2)c(F)c1	310754546	KZSQZQLTUJVDSD-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
C[C@H]1CCCC[C@]1(CNC1CC1)C1CCCCC1	318114401	VHYPWEYFEPJTGO-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C1(CNC(C)C)CCCCCC1	319082182	BQKGLXMRNGVKJJ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](N[C@H](c1ccccc1)C(C)C)C1CCC1	322482816	USWNRPMJOYQGIT-SJORKVTESA-N	245.410	4.552	0	10	BJAE	
CCC[C@@H](Nc1ccc(CC)cc1)C1CCC1	322582265	UUEXJQWZGDMWJN-MRXNPFEDSA-N	231.383	4.630	0	10	BJAE	
CC[C@H](N[C@H](C)c1ccc(C)cc1C)C1CCC1	322613145	CVSDMVPVCCKFCN-PBHICJAKSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1cc(C)cs1	379049146	KQBNSGYNGMITDW-OLZOCXBDSA-N	239.428	4.663	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CCC[C@H](C3CC3)C2)C1	380954237	QUECXFUWTTZTSW-YQFWSFKMSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@]1(CC2(C)CCCC2)CCCCCN1	383492666	CPKSRLARQUNSJX-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC1CCC(C)(C)CC1)NCC	383888982	LKOICUHRKHJNFF-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N[C@H](CCC(C)C)C2CC2)cc1	383906006	XHDQRSCTYQIHOO-MRXNPFEDSA-N	231.383	4.622	0	10	BJAE	
CCC1CCC(c2nc3c([nH]2)[C@@H](C)CCC3)CC1	385500373	KGMVJIVUCOXAFF-HIFPTAJRSA-N	246.398	4.533	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)c2ccc(C)c(C)c2)CC1	385607004	MUTJWLXISCIJDT-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1ccc2sccc2c1	386308292	LLOWJUQGBLUKRG-FZMZJTMJSA-N	247.407	4.598	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)C1(CCCC1)CC3	392782304	FXRVFNNEJDIVPL-UHFFFAOYSA-N	239.362	4.543	0	10	BJAE	
CC(C)[C@H](C)CNc1ccc(Cl)c(Cl)c1	393630941	NNHYEXVGRXDODV-SECBINFHSA-N	246.181	4.697	0	10	BJAE	
CC[C@H](C)CCN[C@H]1CCCC[C@H]1C(C)(C)C	394405265	KRCAQSPAFBFHNU-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(O)CC1CCC(C)(C)CC1	394546373	XUJFZDIXWHNAFY-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCc1cccc2ccn(C[C@H](C)C3CCC3)c12	398787983	QXCYEJBYJPUSLC-ZDUSSCGKSA-N	241.378	4.640	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCC1CCC1)NCC	398932612	RGPBZIHZUUNQKW-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)CCC(C)(C)C2CC2)c1	406094919	FFMKGOXOTXSOMB-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
FC(F)c1cc(Cl)cc(C(F)F)c1Cl	575677448	OZXRWURNEZDZOI-UHFFFAOYSA-N	247.018	4.869	0	10	BJAE	
CCCN[C@@H](CC1CC1)c1cccc(C(C)C)c1	688941066	VUDCKFPIFPADLT-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](c1ccccc1)C1CC1	695097975	JPIRGUUWLQLTEV-XJKSGUPXSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](CC(C)(C)CC)NC	696248676	KOMOVJFGDFYMJJ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCNCC(C)(C)C1=CCCC1	696689808	YPKPOSQRRVOEEX-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCc2ccccc2C1=O	696742737	ZRQFMMHYVMYECT-CQSZACIVSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC[C@@]1(C)O	699694544	ARLMDTZURFHMAX-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1CCCc2ccccc21	701336498	KBLYVPGKPRUIAM-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@H](C)CC(C)(C)C	708298614	YWCDHVRRGVYBMH-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@@H](C)CC(C)C	709147437	YRVJHSXUZVOQAZ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)NC[C@H](C)CC(C)(C)C	709148588	UITBDJUVTUVYQB-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC(C)C)[C@H](C)CC(C)C	709178370	ROQLIHHSBFUTEI-ZSHCYNCHSA-N	241.463	4.719	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C[C@H](C)CC(C)(C)C)C1	709191899	UTEWSBHVOFUKKU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C1CCCCCC1	709240246	ZYHMJZYSMZWOOM-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@@H](C)CC2CCCC2)c1	709754728	CTJMCLXXXVKHFV-LSDHHAIUSA-N	245.410	4.614	0	10	BJAE	
CCc1ccc(N[C@@H](C)CC2CCCC2)cc1C	709759364	XVBAILOKYQBAOI-AWEZNQCLSA-N	245.410	4.938	0	10	BJAE	
CC[C@@H](Nc1csc(C)c1)c1ccccc1	710709009	FFJQNHCQWNJCGL-CQSZACIVSA-N	231.364	4.620	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H](CC)C(C)(C)C)cc1	711096471	QGDQFFAUCONRHL-OAHLLOKOSA-N	246.394	4.894	0	10	BJAE	
CCC(C)(C)CCNCC1CCC(C)(C)CC1	711295844	UURGQLKQYVLASJ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)CC)CCC[C@H]1C	711297718	BZXYWEFKGQZURV-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](CC(C)(C)C(C)C)C1	713186248	BBPRDJYNSMIIDN-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)CC1(CN)CCCCCCC1	713227947	MIOWAGYLYOLFPB-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@@H]1CC(C)(C)CC	713263631	LJZXKTLIFPYZRI-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H]1C[C@@H](C(C)(C)C)CCC1=O	713306644	PKVUAXGLSMDAJS-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC1CCC(N[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1	714303029	HUPDZISWWMVDCL-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCCNC1(C2CCC2)CCC1	717876277	ZQBPGHNIZRWFTL-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCCCC(C)=C(C)C)C(C)(C)C	718641974	AMXCILPIPJVGKP-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CC1(C)CC(C[C@]2(N)CCCCCC2(C)C)C1	723568819	QRBALDXRSFZTBB-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](NC(C)C)c1c(C)csc1C	724979795	QSXHUJONUYQAHH-ZDUSSCGKSA-N	239.428	4.594	0	10	BJAE	
C=C/C=C/CCN(CCCC)C1CCCCC1	1170638425	HXPVXJLJIDTVCH-FNORWQNLSA-N	235.415	4.554	0	10	BJAE	
C1=C[C@@H](N2CCC[C@H]2CCC2CCCC2)CCC1	1657809630	DKGYCOPLNMKNAG-SJORKVTESA-N	247.426	4.530	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCC[C@H](C2CC2)C1	1660066807	AXTFNZMWEQBDLM-ARFHVFGLSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)c1ccc(F)c(C(F)(F)F)c1	1901881424	OUZXTKZKDOUVGH-UHFFFAOYSA-N	234.236	4.748	0	10	BJAE	
CCCC[C@@H](N)CCCCC1=CCCCC1	1901966532	KSXPQAIWWPYDCP-OAHLLOKOSA-N	223.404	4.565	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1(CCC)CCC1	1905445515	QKUITHDTGWBHSS-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCC1CCC(C(=O)C2CC3(CCCC3)C2)CC1	1912616706	LUSIRRFYVHEPDZ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(O)CCC2(CCCCC2)C1	1915851851	KBXJOEBUEWPOCP-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@H](C)CC(C)(C)C)[C@@H](C)C1	1916086058	LBSFOCGNJSGTNL-RFQIPJPRSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C(=O)C[C@@H](C)C[C@@H]1C	1916086690	PLRYVUOSNCKWFN-AJNGGQMLSA-N	238.415	4.844	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)CCC1=CCCCC1	1924086209	KWERKLPZNVBSKO-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
C1=C[C@H](CC[C@@H]2C[C@H]3CC[C@H]2C3)CCCC1	1925815469	WTMXHJCZQFAMCI-JJXSEGSLSA-N	218.384	4.949	0	10	BJAE	
C1=C[C@H](Cc2cccc3cccnc23)CCCC1	1925830096	NDZJLHUVIHSOHH-AWEZNQCLSA-N	237.346	4.524	0	10	BJAE	
CCC[C@H](NCCC(CC)CC)[C@@H]1CC1(C)C	1926181386	ASFUOTOEYYPWHH-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
FC1(F)CCC[C@H](CC[C@@H]2C=CCC2)C1	1932597081	ZFPSDRIHVFWBNG-VXGBXAGGSA-N	214.299	4.558	0	10	BJAE	
Cc1cc(Cl)ccc1NCCCC1(C)CC1	1935931286	OISVOPAQAMJSQR-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1(C)C(C)(C)C1(C)C	1940278810	FCYQFQVWVUCMBX-LBPRGKRZSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCC[C@H](N)CC[C@@H]1CC1(C)C	1940859113	MYSMSJXOJMQAOH-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC1(C)C)C(CC)CC	1940873505	RBPHASDBVHVFFX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CC1(C)CCCC1)NC	1941266008	YVUOSDYDAROVBZ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@](O)(CCCC1CCC1)C1CC1	1941470555	RRHLKOAQJYQMJK-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1C[C@@H]2CCC[C@H]21	1941712904	SVTULQBNAZFPCJ-RRFJBIMHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCCC[C@H]1C(C)C	1942800213	YNQCATDAFKRPAY-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCN[C@]12CCCC[C@H]1CCC2	1944190740	YDYXBHXHTZLXCN-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC1C[C@@H](C)C[C@H](C)C1	1944204755	RTXCTYUEHZBGOW-RZLSGREXSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)C[C@H](C)CC	1944835256	ALDJUMRCBORHSZ-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cc(C)ccc1C	1947468036	XVRHJSWAGHLNIV-HUUCEWRRSA-N	231.383	4.684	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCC[C@@H]1C(C)C	1947522885	HSWCRLFFUZUUPS-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCC(F)(F)CC)CC1	1947890934	SHCTWEJXRSMVPA-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@@H]1CCC[C@H](C)CC1	1948325551	HKXZUJTVSVJPQF-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
CCCCCCN[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1	1948597201	WNVXIXFYPLSUNL-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(F)F)C[C@@H](N)C(CC)(CC)CC	1949022819	OLJRIAXHYOCADE-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)CCC1=CCCCC1	1949051538	OXFIFYSCQRPPOS-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC(C)C(C)(C)CC[C@@H](N)CC1CCCCC1	1949917480	PCKZSQOLXMLSOO-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CC(=O)c1ccc(-c2cc(C)cc(Cl)c2)cc1	1950608973	BDUJFBBGGVQZSF-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CCCC[C@@H](CC)CN1CCCCC12CCC2	1966232899	BRBMOLWYWDJRIT-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
C[C@@H]1CC[C@@H](NC2CCC3(CCC3)CC2)[C@H](C)C1	1967791420	MPYRTIRKTJSLRI-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(NC2C[C@@H]3CCCCC[C@H]3C2)c1	1968251795	JHBPEZVWCKTNAQ-GJZGRUSLSA-N	243.394	4.766	0	10	BJAE	
Cc1cc(F)ccc1NC1C[C@H]2CCCC[C@@H]2C1	1968360957	BLFZJCDAAVSUQK-CHWSQXEVSA-N	247.357	4.515	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2CCC3(CC3)C2)cc1	1968401625	NPYSVHYKSOSVRC-AWEZNQCLSA-N	244.378	4.769	0	10	BJAE	
Cc1cc(F)cc(NC2C[C@@H]3CCCC[C@H]3C2)c1	1968596724	UZRSXSNGZZBZJV-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
Cc1cccc(F)c1NC[C@@H]1CCCC(C)(C)C1	1969467826	KZSZBNFPWNCTMY-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC1(C)C)C1CC2(CCC2)C1	1969956447	ZSLMMTCMGGLMDR-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC(N[C@@H]2CCCC3(CCC3)C2)C[C@H](C)C1	1969988711	IOXKHCOIPIACHV-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)CCC1CC1	1971390454	WTPYLRHSZWVTCW-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
C[C@@H](Nc1cccc2ccsc12)C1(C)CCC1	1971685963	OKYOJUQISWZHDP-LLVKDONJSA-N	245.391	4.892	0	10	BJAE	
CCC1CCC(N[C@@H](C)C23CCC(CC2)C3)CC1	1973850172	VFZXSUXRDUHEAA-SIGVMEELSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C[C@@H](O)C1(C)CCCCCCC1	1981417207	XXKGEHIGUMNTSR-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)cc1)C1(C)CCCC1	1987599639	SZNVQCVINRPTPN-LLVKDONJSA-N	237.774	4.721	0	10	BJAE	
CC(C)CCCC(=O)C1(C(C)(C)C)CCC1	1989453844	SYJWGBPBYBUEHK-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@](C)(O)C[C@H]1CC[C@H](CCC)CC1	1989773026	XACNYPLDAKDIJZ-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cc(C)ccc1Cl	1989819766	VXJKUZRMQDLTKF-NSHDSACASA-N	239.790	4.885	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@H]1CC[C@H](CC)CC1	1989838536	HPCHVCXCKIZGGW-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@](O)(CC)CC[C@H]1CC1(C)C	1990091261	LWDHJMGIPFZOSB-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@@H]2CC[C@H](C)C2)CC1	1996273174	SMTHRYUQHKTCHU-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(O)(C[C@@H]2CC[C@@H](C)C2)CC1	1996273184	SMTKVJYIVNPWOR-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(C1CCCCC1)[C@H]1CCC(C)(C)C1	1996593408	GRLSOCNNAOEFRM-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@@H](C)CCC(C)C	1996614318	BNVUFPDGEMJIAN-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CCCC2(CCC2)C1	1997040083	PZFRCWRTASYKAJ-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](NC)C1CC(C(C)(C)C)C1	1998235817	BLVAATSRIOYLAE-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@@H]1CCC=CCCC1	1999988962	VMIATCVQLGSOJC-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
CCCC[C@@](C)(CNCC)C[C@H](C)C1CCC1	2000503993	CVNRKZQHXGWMLT-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@@H]1CC12CCCCC2	2001267012	ZGRBELSRUHOWGP-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC)c1cccc(C=C(C)C)c1	2001498021	JTHMHUPCQGGUTE-MRXNPFEDSA-N	231.383	4.561	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C1(CC)CCCC1	2002504953	RRTPVCHYAZOOMT-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H]1CCCCCCC[C@@H]1CCC(C)C	2003120067	XVNQCUBMAYHYOI-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CCCC(=O)c1ccc(C)cc1	2003647195	PUWSIINXCPTEOD-UHFFFAOYSA-N	230.351	4.704	0	10	BJAE	
CCN[C@H]1CCCCCCC[C@H]1CC=C(C)C	2004227510	MEELMZFLKIGYPI-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CC)CCCCC1(C)C	2005593253	AAKVZQYVFYQZFI-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)NC[C@@H]1CCCCC12CC2	2005609880	MHESMIIHMRXXSU-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@](C)(CCC)CC1CC(CC)C1	2007754310	NJTZDMAPBUIDPU-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
C/C=C/CCC[C@@](C)(O)C1CCC(CC)CC1	2009595675	XPWIRCDDRHIIML-GUYZCGGBSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@@](C)(CCCC)CNC(C)C	2009626254	DWZVOZOGLLGBLZ-IQIBNGDESA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H]1CCCC[C@@H]1CC	2009635831	QYLNSKGOYAKIBC-VTTDZUNHSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)C1=CCC(C)(C)CC1	2010714746	JFQDZAOJGIFVAI-GXTWGEPZSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1CCCCCC12CC2	2011273554	CDKHHZXBHHKMNM-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CC2(C1)CC2(C)C	2012239954	PVWMULQQNGMLCQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)[C@H]2CCC2(C)C)c1	2014904209	VHBXHUPZJLIYTE-DZGCQCFKSA-N	231.383	4.540	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](N)c1csc2ccccc12	2015277304	GFJOYMNOYWHUSP-SMDDNHRTSA-N	247.407	4.583	0	10	BJAE	
CC(C)[C@@H](C)CC1(O)CCCCCCCCC1	2015283298	CNPPKQLGRAOBNJ-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)CN(CC)CCC(C(C)C)C(C)C	2015392739	UFCRPIPJIHHLLD-HNNXBMFYSA-N	241.463	4.673	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@]2(C)CC2(C)C)CCC1	2017122704	DEZHWIOBLSQNCN-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)C1(C(C)(C)C)CCC1	2017132713	IOOWEPKLUYYVCF-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNC(C)C)CC[C@H](C)C1	2017466342	LHDFKNSWYPITBI-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(N)C=C(C)C)CC1	2017770520	HVUCZXDJAQEZDE-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CC1(C)C[C@](C)(CCCC2CCCCC2)CN1	2022140639	HCHUYGBYTOGONV-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCC)C1CC=CC1	2026059493	JBINMPWUZDCAGP-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CC1=CCCC1)NC	2026166610	LBDALOGBGZHYSI-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc(CC3CC3)cs2)CC1	2026537599	GLYAQIRKZFSBKC-YPMHNXCESA-N	249.423	4.779	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)c1cc(C)oc1C	2027824119	YYQCIXUGCINWOT-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CCCc1ccccc1[C@@H](N)[C@H](CCC)C(C)C	2028255558	RATQIOUEWHEBEX-WBVHZDCISA-N	247.426	4.711	0	10	BJAE	
N[C@@H](CC1CCCCC1)c1cccc(C2CC2)c1	2028560795	UKIBKXVKWMNAKB-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CCN[C@H](C=Cc1ccccc1)CC(C)(C)CC	2028571462	IHWQSHWAPPZQAQ-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
CCN[C@@H](c1ccc(C2CC2)cc1)C(CC)CC	2028590377	JDUZMLVTPKIXMX-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1ccccc1CC(C)C	2028928481	XBTIYQUONXTIMO-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C1(C)CC(C)(C)C1	2029109571	YTVQZFKHCDKCGH-OAHLLOKOSA-N	245.410	4.636	0	10	BJAE	
COc1ccc2ccn([C@H](C)CCC(C)C)c2c1	2029835154	DEEMHBOFBZWORS-CYBMUJFWSA-N	245.366	4.647	0	10	BJAE	
CC1(CCCNC[C@@]23CCCC[C@@H]2CCC3)CC1	2031788488	JBCCPXGTELUTQG-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC(C)[C@H](Nc1cccc(C2(C)CC2)c1)C1CC1	2032243490	VYHDIXQNMNYKNI-INIZCTEOSA-N	243.394	4.585	0	10	BJAE	
CC(C)(C(=O)CC[C@H]1C[C@@H]1C1CC1)C1CCCC1	2032305139	DOWDCDJKSOTQMU-DZGCQCFKSA-N	248.410	4.598	0	10	BJAE	
CCCCc1ccc(C(=O)C[C@@H]2CC2(C)C)cc1	2032421328	OURNEKMSCQAHEZ-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)C[C@H]1CC1(C)C	2032425692	AFMYYHLCOUKEBO-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1(CCNC2CC(C3CCC3)C2)CCCCC1	2033212261	IPSUWCRFMIBKMF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C1(N)CC(C2CCCCC2)C1	2033788196	TYWLZJAUDXYJSH-AKBUMOGYSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@]2(N)CC[C@H]3CCCC[C@@H]32)CC1	2034255919	GIPIAMOUHQUBBB-QTPCEWDRSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CC[C@H]2CC[C@H]1C2	2035047843	WNWFBMWXFMAWHZ-IJEWVQPXSA-N	243.394	4.801	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@@H](C)[C@H]2C(C)C)c1	2035409922	NIQFXLGZJZGAOZ-DJIMGWMZSA-N	245.410	4.786	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc(C)c(CC)c1	2035427222	WJDWZBNHPFRQTN-DOTOQJQBSA-N	245.410	4.938	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCC1)[C@H]1CC[C@H](CC)CC1	2035589740	HVJIVPXIPVFXRD-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C[C@H]1C=CCC1	2035597830	HUCVGKSPYPXEEV-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC([C@@H](N)c2cccc(C(C)C)c2)C1	2036489325	PTGIKGBUUHJSPZ-CGZBRXJRSA-N	245.410	4.636	0	10	BJAE	
CC[C@@](N)(CCCC1(C)CC1)c1ccc(C)cc1	2037175496	ZDOMENMACGSYPF-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)CC[C@H]3CCCC[C@@H]3C2)C1	2037581375	RGRYJALTERIAEE-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)[C@H]1CCC2(CCCC2)C1	2037706950	ZJFVWTQIMRMZPW-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NCC1CCC=CCC1)C1(C)CCCCC1	2039867957	LXAQUCQDBHLKLD-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@@]2(C)CC=CCC2)CC1	2042020026	TZQPVCOPOMUVKU-RDJZCZTQSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC(CC(=O)[C@]2(C)CC=CCC2)C[C@H](C)C1	2042086673	ITDKTCGQNJUZTG-CKEIUWERSA-N	248.410	4.764	0	10	BJAE	
NCC[C@@H]1CCCC(=C[C@H]2CCC=CCCC2)C1	2045321365	VFAXNHGOOXJNRO-HOTGVXAUSA-N	247.426	4.588	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@]1(C)C[C@@H]1C	2045329478	OJSNYPNEFDVUEE-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](c1ccco1)[C@H]1CCCC(C)(C)C1	2045402224	XFPYCDBGJPIREB-DZGCQCFKSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)[C@@H]2CC23CCCCC3)C1	2045508986	XYDMILBTIUEZAK-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CCCCCC1	2045597224	XJFXWPYRAQBVAF-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCCNC[C@H]1CC12CCC1(CCCCC1)CC2	2045659630	DTSQJIGHKPONJX-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)CC1=CCCC1	2045980139	HHOKGJYKZASRDF-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CN([C@H]2CCCC(C)(C)C2)c2ccccc21	2046566249	RBZZMPCJCNQKKI-KGLIPLIRSA-N	243.394	4.579	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@H]1[C@H]2CCCCC[C@H]21	2048439656	NUDCUOCMUGNETA-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CC=CCC1	2048465400	IZPKSFRWKRSTBF-WBTNSWJXSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H]1CCCCCC[C@H]1C[C@@H]1C=CCC1	2049702766	AAEIKWZPQWBZMC-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)C[C@@H]1CCC2(CC2)C1	2049867834	XTNVNJUVZZSZDP-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCC1(C(=O)CC2CCC3(CC2)CC3)CCCC1	2049940841	PTWFUZXNQAAOFO-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)C2(C)CCC2)cc1C	2052330917	HKFNGCZGNWSHON-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
C[C@@H](Nc1cccc(C2(C)CC2)c1)C1(C)CCC1	2052349578	RZBPFMPZNCYHKR-CYBMUJFWSA-N	243.394	4.729	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@H]3C[C@H]3C2)CCCCCCC1	2052479734	PGIWUXGVWJSBBX-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CC2)C1(C)CCCCC1	2053324626	FIYGTAMHGYKEHW-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H]1CCCCC12CCC2	2053413872	ZHARKOSYQVLFPP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2C=CCCCC2)CC1	2056538598	YDZBQJSWDWSLJU-ISXOHVOVSA-N	248.410	4.908	0	10	BJAE	
CC1CCC(C)(C(=O)CC2[C@H]3CCCC[C@H]23)CC1	2056540358	ZAEKDSXMGBILMO-CWVKQELPSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](C[C@H]1CCC12CCC2)NCC	2059246509	DGQSBZKIIMMPPS-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC(N[C@@H]2C[C@H]3CCCCCC[C@@H]32)C1	2059396105	VIGLHVYYKQBVDE-QTPCEWDRSA-N	249.442	4.514	0	10	BJAE	
CSc1c(Cl)ccc(C(F)F)c1Cl	2060065499	GOPQWIOODGAVHF-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)[C@@H]1CCC[C@@H]1C	2061080355	HFRJVGRWJMDYQM-XJNFMUPTSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC1CC1)C1=CC[C@@H](C(C)(C)C)CC1	2061095775	PKEPBVJIQDLASN-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N)(CC[C@]23CCC[C@H]2C3)C1	2061616013	IDYCYKJOKLGWJM-YZUHTNEWSA-N	249.442	4.645	0	10	BJAE	
CC1([C@@H](N)CC2CC(=C3CCC3)C2)CCCCC1	2061704162	NSLPWFMOOMPGEM-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC2(CC(C[C@H](N)C3(C)CCCC3)C2)C1	2063209889	YRSMTACIBCKYNM-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1CCCC[C@H](CC23CCC(CC2)CC3)C1	2065340462	WKIJJMHYUZSDSH-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@H](CC)CCC(C)C)c1ccccc1	2065990771	QUUDPFDWOVWPIE-SJORKVTESA-N	247.426	4.942	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1ccc2ccccc2c1	2068984012	KCDPIIKUVWJMPF-CYBMUJFWSA-N	240.346	4.705	0	10	BJAE	
CCCC1(C[C@H](O)c2ccccc2CC)CCC1	2069338820	BNCWWASEKRPFJU-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCC1(CC2CC2)CCC1	2069508005	YZHBRSXTQUERFM-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C(=O)CC[C@@]23CCC[C@@H]2C3)CCC1	2071931117	VNPIKUNATSPFLJ-CZUORRHYSA-N	248.410	4.742	0	10	BJAE	
CCC1(CN(C)C2CC3(CCCCCC3)C2)CC1	2074594655	NUMTVRRERLBXBF-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H]2CCCC(C)(C)[C@@H]2N)CC1	2076394693	CZLFUXNSVQMLBF-FVQBIDKESA-N	249.442	4.523	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2081117104	AXCFYSFGMIUHNO-YESZJQIVSA-N	249.442	4.811	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)c1ccccc1CC	2081220442	WUKSNLZBDZCVKE-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CC[C@@H]3CCC[C@@H]32)C1	2082981797	GMGICLOCOLGVMZ-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C=C2CCN[C@H]2C(C)(C)C)C1	2082982348	KGJXMUSCNHLOLW-DZGCQCFKSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)[C@H](N)CC1CC2(C1)CC1(CCC1)C2	2083613654	PCYZTANPVLHOAO-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC(C)(C)C1(C)C	2084370747	JUAAFISHTGJJSZ-OAHLLOKOSA-N	245.410	4.876	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](N)CCCCCCC1CC1	2213578910	BCTFYLRVHNPUJU-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)CCCCC1CC1)CC(C)(C)C	2214561588	YUHHCJLOETUWQS-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2CC[C@H]2C)CC1	2215097494	HIPAEUJRNHKAGZ-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1(C(=O)CC2(C)CC(C)(C)C2)CCC1	2215439395	GTCCMMPJNCRWJV-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C1CC(CC)C1)C(C)(C)CCC	2216285291	KCZMCRMCQOYHNJ-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)N1	2218362619	ZPBIIOQSTZUPFV-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@H]1CC1(N)CC2(CCC(C)(C)CC2)C1	2220662340	GPJJKULIDWFLOF-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H](N)CC[C@H]2CC2(C)C)CC2(CCC2)C1	2221028068	MNEFKKHLTMOFOV-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@H]2CCc3cc(N)ccc32)C1	2221028167	NGXMEMOZWBVCBU-CYBMUJFWSA-N	243.394	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(CC2CC3(CC3)C2)C1	2222271737	ZBSQGBWDCRJDHB-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(CNC2CCC2)CC=CCC1	2223546455	BPAHSBVPGKYIEV-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CNC1CCC1)CC12CCC(CC1)C2	2223554183	DGIXTCFJZRIWGP-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1ccc2occc2c1	2224156116	IMRGMAZWVIZDNJ-LBPRGKRZSA-N	244.334	4.688	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC1(C)CCCCC1	2244779266	CWCKIWVYGVQWAH-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C)C(=O)CC[C@@H](C)CCCC(C)C	2244838796	WDXDMWKLQZFHHJ-UONOGXRCSA-N	226.404	4.844	0	10	BJAE	
CC1(C(=O)c2cc3sccc3s2)CC=CC1	2246042225	WGXOUCPMQGEBFD-UHFFFAOYSA-N	248.372	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)[C@H](C)C(C)(C)C)C1	2246659841	LFYACRMUXXEJOU-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)C2(C)CCCC2)C1	2246665240	RLKYTJLERAQCNY-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](N)CC1=CCCCC1	2247460574	CWXFGRJGMVBBCV-JKSUJKDBSA-N	237.431	4.523	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C[C@@H]1CCCC12CC2	2247664993	LJOVOMJVLRTMPZ-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H](O)CCCCC[C@@H]1C[C@H]1C	2248838544	IAMKZROVMVPTNJ-FVQBIDKESA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cc2ccccc2s1	2250384509	BREXMZOVSLGRRW-ABAIWWIYSA-N	247.407	4.727	0	10	BJAE	
CCC[C@@H](CC)CN[C@H]1CCCCCC12CC2	2250384632	NPNZDXNUACLFDH-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CCC[C@H](C)CCCC(C)C)C(C)C	2250479103	PVVUKGYCUYIRMR-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@]12CCCC[C@@H]1CC2	2251122445	DCHWBFDXVKYSFQ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](O)C1CC(CC(C)(C)C)C1	2251536281	RHIJLYOKBGXSFJ-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@@H]2CCCCC23CC3)C1	2253800523	PZUQXFGDCDZKCP-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CC3CCC2CC3)C1	2253994414	DYOIHGWIJMIWRB-AXRJEEMOSA-N	249.442	4.501	0	10	BJAE	
CC(=CCCCC[C@@H]1C[C@@H]1C)C1CCC(N)CC1	2257238053	BIZWORWXMHWRIX-ORBLRFAASA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cc2cccc(C)c2o1	2259445905	XODHKFTXFJOVLY-SWLSCSKDSA-N	246.350	4.601	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1CC2(CC(C)C2)C1	2259588355	WLPLESWYYVUHCO-YSURMTKTSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@]23CCCC[C@H]2CC3)CC1	2260491592	PRRUBVFECXNMLC-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCCCC1)C[C@@]12CCCC[C@H]1CC2	2260569721	NHOOPCTZZNFEDB-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)C[C@@]12CCCC[C@H]1CC2	2260677912	IAORXKGJSXURES-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC[C@]12CCC[C@@H]1C2	2300501934	TYTMVAQTOLVOEJ-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CC[C@H](CC1CCCCCC1)NC	2300876155	CRCFHFMRCQNVSK-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CC1CCCCCC1	2301139274	FDRWJZSXRHMIDB-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)CCC(=O)c1ccccc1	2301906561	AUROXGUHBYXCHC-KGLIPLIRSA-N	232.367	4.578	0	10	BJAE	
CCCCCC[C@H](O)CCCC1=CCCCC1	2302325448	HSKIXJNYBSCFDW-INIZCTEOSA-N	238.415	4.988	0	10	BJAE	
CC(C)C1(C(=O)CC[C@H]2CCC(C)(C)C2)CC1	2304417898	JRUFUHCADVVJBK-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@@H](C)CC[C@@H]1NC	2307902120	JWAPFLXCNDSOBL-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(C)(C)CC[C@@H]1N	2307905767	ZEVVWKXKTXRVDQ-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H]1CC[C@@H]2C[C@@H]2C1	2308125335	DUWCHCQZYSDJAC-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@H]2C[C@@H]3CC[C@H]2C3)C1	2312938945	DRZKUDQRCGSBCC-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@H]1CCC[C@@H]2C[C@H]12	2312996063	SHEDVLRLOIGFDA-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@H](N)c2ccc(C)c(CC)c2)CCC1	2314632615	NSERXLWECPGXBF-MRXNPFEDSA-N	245.410	4.528	0	10	BJAE	
CCC(CC)CCN(C1CC1)[C@@H](C)c1ccco1	2316240445	MZUSVXZWSAIURR-ZDUSSCGKSA-N	249.398	4.631	0	10	BJAE	
CCC1=CC[C@@H](CC=C(C)CCCC(C)C)[C@@H]1N	2316535579	ICSOINAITWGHML-IAGOWNOFSA-N	249.442	4.833	0	10	BJAE	
CCN[C@@H](CCC=C(C)CC)c1ccc(F)cc1	2316557741	RERJLWPIKVNTDI-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CCC[C@](N)(C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CC1	2316880546	XXVAYHRMQDZWIE-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1CCCCC[C@H]1C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316992579	BATURBGBKVEQRO-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
C1=C(CCCN[C@]23CCCC[C@@H]2CC3)CCCC1	2318547724	FKXALPMSGXEAEO-SJORKVTESA-N	247.426	4.579	0	10	BJAE	
NC1(CCCC2=CCCCC2)[C@H]2CCC[C@H]1CC2	2318580111	KKPMCGNXROUJCV-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC(C)c1cccc(C(=O)CCC[C@H]2C[C@H]2C)c1	2318930483	NOFDWVDOIKKRSH-HIFRSBDPSA-N	244.378	4.819	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CC[C@@H]2C2CC2)CCCCC1	2319581803	RUWAFHJORGBBHP-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
NC1(CC[C@@H]2CC[C@H]2C2CC2)CCCCCCC1	2319742354	WDZIKMSVCLTPGL-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CCCC[C@H]2C(C)C)CC1	2320238376	UJUVROOGPRFXKR-IKGGRYGDSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)[C@@H](C)C2(C)CCC2)CC1	2320345496	AJJWQEOFWZBVTR-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CC23CCCC3)CC1	2320410203	BPRVZTIEAQCQHN-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CCC(C)(C)C[C@@H]2C)CC1	2320411171	IBDFOFKFLRHSJL-XHSDSOJGSA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)=C(C)C1)C1(CC)CC1	2320411579	FGPKIXUFDOCPPD-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CC[C@H](C)[C@H](C)C2)c1	2321084668	JODAXAVTXJBGNN-YWPYICTPSA-N	249.373	4.625	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCC[C@H](C)[C@@H]2C)c1	2321092637	CDWXDQZXTNOAGV-MQIPJXDCSA-N	249.373	4.625	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CC[C@H](C)C(=O)C2)c1	2327780136	AMUGTKJDQAGXCH-UONOGXRCSA-N	244.378	4.591	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)c1	19985183	UDKSZFJWUKXNQS-DZGCQCFKSA-N	231.383	4.622	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC[C@@H]1C)c1ccc(C)cc1	20561798	CUWOMBAHGBXTBK-UAGQMJEPSA-N	245.410	4.614	0	10	BJAE	
CCc1ccc([C@H](C)Nc2ccccc2C)cc1	20564702	FJPVTIFODRFWBF-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
Cc1ccc(-c2ccc(C(C)C)c(N)c2)cc1C	41282566	IIVHMTZEDFWOSE-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C	64624168	CVRSZZJUWRLRDE-PWNZVWSESA-N	208.389	4.885	0	10	BJAE	in-vitro
C[C@@H]1CC[C@H](Nc2cccc(Cl)c2Cl)C1	70760344	ZTPGLJUVPDXSGK-BDAKNGLRSA-N	244.165	4.594	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)c1csc(C)c1	83452280	BQNXWHRJDSURTM-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@](C)(O)c1ccccc1Cl	83503098	QHXZHJREOJCJBG-AWEZNQCLSA-N	240.774	4.518	0	10	BJAE	
CCc1ccccc1CN[C@H](CC)C[C@@H](C)CC	84200788	WXZUFBOZOUXNKP-WMLDXEAASA-N	247.426	4.553	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC(C)(C)C2)c(Cl)c1	87769756	QDOOGBRCIOPZRW-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C1CCC(C(C)C)CC1	87962126	BBHLFMHDOJIHHT-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCCC2(C)C)c(C)c1	94307383	ZOABZEDUPYBZQR-GDBMZVCRSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](NC)c1ccccc1	103944109	IIQZYBRFZVDXFI-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
CCCC1(CNCC)CCC(C(C)(C)C)CC1	104012525	SIVXHXUYSOJGCY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](O)C2=CCCCC2)cc1	109791553	PCAPECOWPDEPNX-INIZCTEOSA-N	244.378	4.518	0	10	BJAE	
CN[C@H](c1ccc(C)c(C)c1)C1CCCCCC1	110199790	HUVMMDZLNYKDGU-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@H](C)CCCC(C)C	128600609	ZUXAANIFZIXNKT-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
CCCC1CCC(c2nc(CC)cs2)CC1	132038419	YSPXWMUQWUBDHW-UHFFFAOYSA-N	237.412	4.779	0	10	BJAE	
CCCC[C@H](NCCC)C1CCCCCCC1	159109334	WHANINOBRNHDQP-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
Cc1cccc(C(=O)CCC2CCCCC2)c1	164081707	SGENOYSRJYYFDZ-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCCN[C@H](CC1CCC1)c1cc(C)cc(C)c1	167101701	HUTZOFPRHBIYBL-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCCC[C@H]2C(C)C)c1	214447039	ZHTCDZGBSRZTKJ-IRXDYDNUSA-N	245.410	4.930	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CCC[C@@H](CC)C1	221506145	MEQSPTJDYFLSKJ-ZJIFWQFVSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCCC[C@@H](O)C1	227232664	ANSUJYVMNXLDFB-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
Cc1cc([C@H](O)C[C@@H](C)CC(C)(C)C)cs1	228754422	XHNFNZSMOSYXPC-ZWNOBZJWSA-N	240.412	4.552	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@@H](O)c1ccccc1	229085260	HNNNJOGOZGWFST-HLLBOEOZSA-N	248.410	4.963	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1cccc(C)c1C	229346467	RODBTXJLRPKABT-GDBMZVCRSA-N	234.383	4.553	0	10	BJAE	
CCC(CC)CC(=O)C[C@H](C)CC(C)(C)C	229446058	XXENQDQKMZWMAY-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H](C)CC2CC2)cc1	229676445	FPNWACFQXACFBS-STQMWFEESA-N	231.383	4.801	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCC23CCCCC3)c1	230162081	YSKZIUHOHVVHND-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
CCC1(CNc2ccc3ccccc3c2)CCC1	233042798	CBMISLIKAQICGW-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@H]1C)C1CCCCC1	251297438	AXQSWKSZUNIBQV-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)c1ccccc1C1(N)CCCCC1	258345473	NJUDHBUATLSASQ-UHFFFAOYSA-N	245.410	4.708	0	10	BJAE	
C[C@@H]1CC[C@H](c2cccc3c2NCCC3)C[C@H]1C	300117501	UVXFNWLPSRPJLZ-NFAWXSAZSA-N	243.394	4.584	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@H](C)CC(C)C	300836383	CPYOHACWDPTEJM-QLFBSQMISA-N	228.420	4.636	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(CCC2CCCCC2)C1	305939364	LETYNYZJSMWNFO-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cc(CC)ccc1CC	306053806	USINWOUXAIIWAP-CYBMUJFWSA-N	246.394	4.820	0	10	BJAE	
CC(C)CC[C@H](N[C@@H](C)c1ccccc1)C1CC1	306075416	YXOUKNWQMBHJRZ-YOEHRIQHSA-N	245.410	4.552	0	10	BJAE	
CCCN[C@H](CCC)[C@H](CCC)CC(C)C	308044373	FJPUGJMWIJMPDB-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](C[C@H](N)CCC(C)(C)C)C1CCCCC1	310340929	NZBWLRDSPSUETK-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H](C)[C@]1(O)CCCC12CCCCC2	313036302	GZUCHCIQEQMFNJ-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CNCC1(C2CCCCCC2)CCCCCC1	317686198	IOUSEOUOGPBIBY-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCCC[C@@]1(CNC(C)C)CC[C@@H](CC)C1	317839300	FNLWGCMSFPQOAF-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H]([C@H](C)[C@@H](C)CC)C(C)(C)C(C)(C)C	319500697	GIGWFKIEKTXGRA-BFHYXJOUSA-N	241.463	4.719	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@@H]1CCC[C@@H](C)C1	382678461	DBTYFOWTUQAALT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC1=C[C@@H](N)CC(C)(C)C1	383122150	BSKLPTFOPKTOOK-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](CCCCCCC(C)C)NCC	383355427	FLCCVGLROBIVBJ-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(C)cc(C)c1	388594636	NLLFFWKZAUFODF-ZMSDIMECSA-N	245.410	4.533	0	10	BJAE	
CCCCC[C@H](C)NCC1(CCC)CCC1	391856647	MJTIOONCBJEXCN-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC(CC)C[C@@H](O)C1(C)CCCCCC1	394554681	DFVBZKSGVLQIJO-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC23CCC3)cc1C	394805881	HQXQEAVLBYMVEF-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
CCC(/C=C(/C)CNC(C)(C)C)(CC)CC	395118162	IBKLSETVFHFGEH-QBFSEMIESA-N	225.420	4.537	0	10	BJAE	
CCC(CC)(CC)CNc1cccc(F)c1F	395144758	BBGWZIWDOSOZSC-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
CCc1c(F)cc2sccc2c1C(F)F	396259443	YEWOQTDWKZTAKY-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1)[C@H](C)C(C)(C)C	399190712	YBHKUZLPDDJMBK-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1(C(C)C)CCC1	686928572	FXQWLFKWPWFUFE-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)C1CC(C)(C)CC(C)(C)C1	688347969	ZKULMSKGNYCQQC-TZMCWYRMSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C[C@@H](C)C(C)(C)C)c1	688914242	LOYKKPJZOHWEDI-CJNGLKHVSA-N	247.426	4.882	0	10	BJAE	
CC(C)CCNc1cccc(-c2ccccc2)c1	689639935	MNZFOQLLCPBNSD-UHFFFAOYSA-N	239.362	4.812	0	10	BJAE	
C[C@@H](C[C@H](N)C1CC2(CCC2)C1)C1CCCCC1	691880091	UCXSTQNSNPMYMV-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](c1ccccc1)[C@@H](CC(C)C)NCC	695080355	WLCBLNVINKHHCX-IAGOWNOFSA-N	247.426	4.595	0	10	BJAE	
Cc1ccccc1NC1CCC(C2CCC2)CC1	695976510	PZEJJHRQVYULML-UHFFFAOYSA-N	243.394	4.766	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCC[C@@H]2C2CC2)C1	696111770	RJKUVWHHUDBZDX-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C(C)(CC)CC	701089639	GEHOVGANPRIWET-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C(C)(CC)CC	701148512	PPFDISFBCVKBFH-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](C)(N)CCC(C)(C)C	704839924	AOENTXDXIMEMGB-HIFRSBDPSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H]1C[C@H]2CC[C@H]1C2	704970661	FYEIATGONDVVPG-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(CC2(N)CCC3(CC2)CC3)CC1	707578697	JORHGIJWMHNHKW-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@H](C)CC(C)C	708266144	VLXOQNNNSNBKTQ-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CCCC(CCC)N[C@H](C)[C@@]12CCCC[C@@H]1C2	708874526	JFDILHSQKAQAPU-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@H](C)C1CCCCC1	709224017	YUSZIHLVKYSQHO-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H]2CC3CCC2CC3)C1	709451668	ZLIGFAUBBIQVJN-WCMAUXFHSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccccc1NCCCC1CCC1	711148765	PNYIMVBXERJBSO-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CC[C@H](C[C@H](O)[C@@H]1CCCC[C@@H]1C)C(C)(C)C	711187829	CBJXENOJDHRTEX-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H](C)C(C)(C)C)C(C)(C)C	711201314	PDSZCXSKLKXODS-TXEJJXNPSA-N	226.404	4.700	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](C[C@@H](C)C(C)(C)C)NC	711225508	SXSXLXCDBBXWRA-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCCc1ccccc1N[C@@H]1C[C@H]2CCCC[C@@H]21	712427771	ZUJSUFDRDZIRHY-HLLBOEOZSA-N	243.394	4.630	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C[C@H]2CCCC[C@@H]21	712446628	WMQOTSLBUJCZJP-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CC(C)(C)CC[C@H]2C)c1	713063312	FBPWKPXJVITUSD-DOMZBBRYSA-N	249.373	4.761	0	10	BJAE	
CCC1([C@H](CC(C)(C)C(C)C)NC)CCCC1	713209483	AVAWCOCEVLUSFV-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]21)C1CCCCC1	714313803	CSWROQVQSZSEBF-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC=CCCC1	719016031	XWTUPJFGIANTAL-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCC1(CN[C@@H]2CCCCCC2(C)C)CCC1	719289017	COUHKVWRBYFJCS-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C(CCC1CC1)CN[C@H](C1CCCC1)C1CCC1	720215544	DEXSNKVBQJSELL-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@](O)(CCCC(C)C)CC1CCCCC1	720985619	BVCUIIHJSKBRMH-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1C[C@@H](CC2CC(C)(C)C2)c2ccccc2N1	723542445	KHGVVUSLVQBWIE-JSGCOSHPSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H](SCC1CC1)c1ccc(F)cc1F	1166246421	GTHACWJOTUJJEX-CYBMUJFWSA-N	242.334	4.559	0	10	BJAE	
CC[C@H](C)CSC[C@@H]1CCCc2ccccc21	1559386836	FGBKZXZAQHWBIR-ZFWWWQNUSA-N	248.435	4.886	0	10	BJAE	
CC(C)(C)C[C@@H]1CCN([C@@H]2C=CCCCCC2)C1	1559915174	HEXOTXRIAAJRIZ-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
Cc1ccc(N(C)C[C@@H]2CCC[C@@H](C)C2)c(C)c1	1621237090	DCSMTVKLAMLCLI-CZUORRHYSA-N	245.410	4.566	0	10	BJAE	
CC(C)CSCc1ccc(C(C)C)cc1	1656252551	GSMMFQHZAIALNH-UHFFFAOYSA-N	222.397	4.699	0	10	BJAE	
CC(C)=CCCc1cc(Cl)cc(Cl)c1	1894891374	HIFSJAFLCPWLPL-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
CCC(CC)CC[C@@H](NC)C(C)(CC)CC	1900709588	MDCFKRCONXUGSJ-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
Cc1sccc1OCC[C@@H]1CCC[C@H](C)C1	1904924699	GNVAHFVHYUHOGD-AAEUAGOBSA-N	238.396	4.652	0	10	BJAE	
CCCNC[C@@](C)(CC)C[C@H](CC)CCC	1905432211	PQQDOXVASONGKD-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CCCCC[C@H](C[C@@]12CCC[C@@H]1C2)NCCC	1908430851	HNFCWJZOUUIIHL-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCCCCCC[C@H]1N	1913403527	JZKDCKYOSTZOBS-ARFHVFGLSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1N[C@H]1CCCC12CCC2	1921494145	DGGLEDMCAMJVJW-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCCCCC(C)(C)CNCC[C@@H]1CC1(C)C	1921559993	ZZIWWLZPEKWIBS-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](C)(CO)C1CCCCC1	1923913868	XXYITRNQPGYJCW-GDBMZVCRSA-N	240.431	4.638	0	10	BJAE	
CCN[C@H]([C@@H](C)C1CCCCC1)C(C)(C)CC	1924079244	UBBZENXYYHWYSK-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC=CCC1)C1CCCCC1	1924136268	RCZVHFSPMHTUDS-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1CC[C@H](NC)[C@H](C[C@@H]2C=CCCCC2)C1	1925892446	SHHSAPPDGMFWIY-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
O[C@H](CCC[C@H]1C=CCCCC1)c1ccccc1	1925929218	DEJDNLUOVZSUPJ-DOTOQJQBSA-N	244.378	4.637	0	10	BJAE	
C[C@H](CC[C@H]1C=CCCC1)CC(F)(F)F	1932599362	UAFIJDJKODIGIK-MNOVXSKESA-N	220.278	4.711	0	10	BJAE	
CCCC[C@H](O)CC[C@H](CC)CCCC	1933360862	JGDHAZOKXQKVOC-KGLIPLIRSA-N	214.393	4.534	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)c1csc(Cl)c1	1933599478	ICKPYPVTOWHACR-SNVBAGLBSA-N	246.803	4.507	0	10	BJAE	
CCC(O)(CC)CCCCCCC(C)C	1934414070	GBMBAANHHWVPLP-UHFFFAOYSA-N	214.393	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1cscc1CC	1938825821	KHOQPCOCUXLHOB-FZMZJTMJSA-N	239.428	4.527	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](C)Nc1cccc(F)c1	1940248752	NKXCOCGTXQFVEM-GFCCVEGCSA-N	237.362	4.554	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](C)(F)c1ccc(N)cc1	1940968404	XOJNQRACFXNPCO-IUODEOHRSA-N	237.362	4.526	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C(C)(C)C1CC1	1941139764	MATPKTBDTYRHIT-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CCCCC1(F)F	1946988084	FZYOEEDEWANRDS-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(O)CCC1CCCCC1	1947514692	HIAUZYFIIBXDCL-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(NC2CCCCCCCCC2)C1	1947880702	ZTNGSYNRUANPCR-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CN)CC12CCCC2	1948073006	JAMVNLKHVZIKLC-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCC(C)(C)CC(=O)C1CC2(C1)CC(C)(C)C2	1950955604	QXICNZOIMOLLEZ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@H]1C(C)=CCC[C@@H]1C	1950968570	LRWCGGLYBMYEGY-RRFJBIMHSA-N	237.431	4.523	0	10	BJAE	
CCCC1(C(=O)c2ccsc2Cl)CCC1	1959878339	IQFQJYXJMFMEJZ-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NC[C@H]1CCCCC12CCC2	1967864607	GRUGNUYVNFEVNV-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CC3(CCC3)C2)cc1F	1968320348	LLDUDCVIRIBGAH-LBPRGKRZSA-N	247.357	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC1CC2(CCC2)C1	1968602430	KRJKIBGRIXVGBX-UHFFFAOYSA-N	243.394	4.863	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C)C1CC2(CCC2)C1	1968860317	XRBFUXZJAQLOAS-LZWOXQAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@@H]1CC[C@@H]1CC(C)C)c1ccccc1	1969296672	XSCAYSCAZNQXLQ-BRWVUGGUSA-N	245.410	4.552	0	10	BJAE	
C[C@@H](Nc1ccc(C2CCC2)cc1)C1(C)CCC1	1969958533	KQDDUKVERKTSOE-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CC[C@H]1CC(C)C	1971389334	LJKPTXJALBWZTH-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)CCCC(C)C	1973172405	RKMQOIJDFDDXDR-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H](C)CCC(C)C)s1	1978449760	DNZMLQWZHKRVIV-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1sc(C)cc1C	1978451639	MUIFWDCEZNCGHU-UHFFFAOYSA-N	236.380	4.684	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[Si](C)(C)C	1978639670	ROHXUHZUXGCCSK-CQSZACIVSA-N	243.511	4.519	0	10	BJAE	
CCc1cscc1CC1CC(=C2CCC2)C1	1985536402	HOGADAFOTNRAGX-UHFFFAOYSA-N	232.392	4.744	0	10	BJAE	
CCCC[C@](C)(O)CCC(C(C)C)C(C)C	1988261312	BCRBQVDVGLJMRE-HNNXBMFYSA-N	228.420	4.636	0	10	BJAE	
CCCCC[C@H](CC)NC1CCC(C)CC1	1990092753	DHUNZFGCIZJDFZ-SLTAFYQDSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC(CC)CC	1995261739	HHZYWKIIERXANG-DZGCQCFKSA-N	227.436	4.747	0	10	BJAE	
C[C@@H]1CC[C@@H](Cn2ccc3c(Cl)cccc32)C1	1996229296	FDBRZSAJFQOCLX-VXGBXAGGSA-N	247.769	4.731	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)C(C)(C)C2CCCC2)C1	1996230419	UAHKEDYUFAJNSQ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC[C@@H](C)C1)C(C)(C)C	1996258992	CVHZLBWNZCDYNF-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCCC2(CCC2)C1	1997039588	MCDHXTNKYLVWCW-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1ccc(C(C)(C)C)cc1	1998753348	UZCQXWAJQRZGCI-WFASDCNBSA-N	231.383	4.585	0	10	BJAE	
Cc1cc([C@H](N)C[C@H]2CCC=CCCC2)cs1	1999987955	LFSGZSQZHLWAMZ-DZGCQCFKSA-N	249.423	4.583	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)C[C@H]1CCC=CCCC1	2000007116	RAQYNRMBVZRISX-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CCC2CCCC2)C1	2000144597	YKUJKPPQDBKKDB-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CC12CCCCC2)NC	2001214854	GCGMYLXZKDBJDS-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(C(=O)C2CC(CC)C2)CC1	2002327923	LPBMKZMVZLCRGU-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H](C(F)F)C(C)(C)C	2002435230	NAQNAOOCOFSVME-LBPRGKRZSA-N	248.357	4.699	0	10	BJAE	
CC[C@](O)(CC1(C)CC1)C1CCC(C)(C)CC1	2002508043	WODBCOBTVHHVQB-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
OC1(C[C@H]2C=CCCC2)CCCCCCCC1	2003110394	CVNNCALYXIOGJR-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC1CCC2(CC1)CC2	2003275166	KLQBDYLZYUKRLS-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(F)(F)CCC1(O)CCC(C)(CC)CC1	2004350491	CFIDPUBMKOZGEC-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H]1C[C@H](CCC(C)=C(C)C)C[C@H](NC)C1	2006626209	CQKNXTSDQMGPNM-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CCC(C)=C(C)C)[C@@H]1C	2006980267	OHPCXUIECMCLEZ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](C=C1CCCCC1)NCC	2007937628	PSVIBDHEYNIAEJ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC1(CC)CC(O)(C[C@@H](C)CC(C)(C)C)C1	2009308823	RTQOXXOTNRPMMM-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CC=CCCCC[C@@H](CC1CCCC1)NCC	2009615746	BNVGKWYTJGFDMR-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1CC(C)(C)C1	2009616454	JGXGSPRSPYXSKC-ZKKXHLJNSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)C1=CCC(C)(C)CC1	2010763525	LMIUNBKVGMUASI-TZMCWYRMSA-N	237.431	4.523	0	10	BJAE	
CCCCCC[C@H](C[C@]12CCC[C@H]1C2)NCC	2011019343	KLDJPAFXZOUOJO-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCC1(CN[C@H](C)C2(C)CCCC2)CCCC1	2014339348	LSBKJFPOWVACHN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](NCC(C)(C)C(C)(C)C)C1(C)CCCC1	2014339819	NSPOTEURZJEFAH-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@H](C)C2(C)CCCC2)ccc1F	2014340133	PMZQZTOJPHFBBJ-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
C[C@H](CC1(O)CC(CC(C)(C)C)C1)C(C)(C)C	2014658486	ZQMDTDFJQJRECG-VEAWUBTESA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@H](O)C1CCCCC1)C(C)C	2015334933	IUDIIMABDMEAGY-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CCC(C(C)C)C(C)C	2015345152	OGIMJVKXLJLCHP-GOEBONIOSA-N	241.463	4.848	0	10	BJAE	
CCCC1(CC(=O)C2CC(C)(CC)C2)CCC1	2015593429	DALOEBLUTTWMGK-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCCC2(C)C)CCC1	2015639779	KHFGNMDXPLXFDA-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](Nc1ccc(C(C)C)cc1)C(F)F	2015821711	YFGKDLXQVRMDGU-ZDUSSCGKSA-N	241.325	4.656	0	10	BJAE	
CC(C)(C)C1(CC2(O)CCCCCC2)CCC1	2017114120	IMFAANYMXPIHRC-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC1CCC(C[C@@H](O)[C@H](C)CCC)CC1	2017650184	DMEMOOYNUOUNRV-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(C[C@@](C)(N)[C@H](C)CC)CC1	2017719773	CWMPPXRJKIWKNT-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CC[C@@H](C)C(=O)C2)CC1	2017775606	DRWAECSTDMZNCO-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)CCC1=CCCCC1	2019774220	SZRVHUVFCLBEON-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CCCCN(C1CCCCCC1)[C@H](C)CCC	2020506801	WZRBJACUCISKFO-OAHLLOKOSA-N	239.447	5.000	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCC(C)(C)CC	2023337166	VIBSDMKOSMLROL-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CC(C)(C)CC2=O)C1	2024101907	NYVJPMQBJXZVBT-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CC(C)(C)CCC2=O)C1	2024118451	NKUTVLQPLYUAHI-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C=C(C)C)NCCC	2026074868	PXHJLFRKRRSOSA-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@@H]3CC[C@H]32)cc1	2027993501	XWWVSZSMFGJHIG-GUDXXQAFSA-N	243.394	4.801	0	10	BJAE	
CCN[C@@H](c1ccc(C2CC2)cc1)C(C)(C)CC	2028611757	YNMFBZHAHJIHJW-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC(C)(C)CCCNc1cccc(C2(C)CC2)c1	2032246293	PHSOPKALDSZAGS-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)c1ccc(C(C)(C)C)cc1	2032270019	ZOAMCQSWPGJFKX-HNNXBMFYSA-N	248.410	4.700	0	10	BJAE	
CCCN[C@@H](c1ccoc1)C(C)(C)C1CCCC1	2032307899	YQXFDSFDLFWNDP-HNNXBMFYSA-N	249.398	4.537	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@H]2CCC[C@H]2C)cc1	2032557293	KPPJCNSMNCVRIG-KBRIMQKVSA-N	246.394	4.670	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3CC[C@H]2C3)cc(C2CC2)c1	2035049784	LZFVWBLHVLMXEL-ISTRZQFTSA-N	241.378	4.555	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C1CCCC1)C1CC1	2035403174	IAZRMOHWLFXGRF-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)c1ccccc1C1CC1	2037104805	CUPLABBHTKGJSE-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)C[C@@H](C)c1ccccc1	2037106601	KBYOOROBZJNLCO-ZMSDIMECSA-N	247.426	4.580	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)[C@H]1CCC2(CCCC2)C1	2037677587	FIOASFBZSBZHQT-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](NC1CC2(CCC(C)CC2)C1)C1CCC1	2038940440	KYJYWKIHASNGNM-LYOOIAODSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1N[C@@H]1C=CCCCC1	2039033310	UYUSGINJOJHZQM-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCC[C@@H](C)CC2)c(F)c1	2039368389	BPZMNBCLLRIFKQ-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
Cc1cc(C)cc([C@H](N)[C@@H]2CCC[C@H](C)CC2)c1	2039370764	RXNBZRWXGMOWKE-XGWLTEMNSA-N	245.410	4.520	0	10	BJAE	
CC(C)(C)[C@H](N[C@@H]1CCCC2(CCC2)C1)C1CC1	2041288935	DPKVWBUSRJRRHN-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CC1(CCCC2(CNC(C)(C)C)CC=CC2)CC1	2042088881	JXXMFXYFSAHZNY-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@]12CCCC[C@@H]1C2	2045314205	HVVVILRNJMRKAW-BFYDXBDKSA-N	246.394	4.662	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC=CCCC1)C1CCC1	2045315709	XBACZJZFNYDHHP-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
O[C@@]1(C[C@@H]2CCC=CCCC2)CCC12CCCC2	2045331777	IXTOOUGIBDIFAE-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](N2CCCCC23CCCCC3)C1	2045523087	UZSWBNXOJYMJFE-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)C1(C(C)C)CCC1	2045817661	FZGGLQWRRQGFNH-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
NC1(C[C@@H]2CCCC3(CC3)C2)CCCCCCC1	2049847481	BIPSYUFFEPSYER-OAHLLOKOSA-N	249.442	4.789	0	10	BJAE	
CC(C)NCC1(C[C@@H]2CCCC3(CC3)C2)CCC1	2049847602	CIUSXVBKAWFLAA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@@H]1CCCC2(CC2)C1	2049851641	BYMSGUZKQMQSSS-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@H]2CCC3(CC3)C2)C1	2049858872	PXLNYOJMOZIJKA-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](N)C[C@H]2CCC3(CC3)C2)CC1	2049867240	TVKAHZPQGPBBQS-GYTBAZASSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)C[C@H]1CCCC2(CC2)C1	2049932191	IAPNIDRDQOIJOT-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC=C(C)C)c1cc(C)c(C)cc1C	2051404366	MVUXLCMNZBIKBW-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
Cc1cc(C(F)(F)F)c(C(F)F)cc1Cl	2054887160	JLZRWZNCOMXCIS-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1C[C@H](C)CC[C@H]1C(C)C	2055671289	GTPYTEYIMKIHQZ-BSWAZPDLSA-N	249.442	4.536	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)CCC1CCCCC1	2056876491	QYKJPVLDYINOEN-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@@](N)(C=C1CCCCC1)CC1CCCCC1	2056912496	FIWDVILDCARQFI-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H]1C[C@H]2CC[C@H]1C2	2059225507	NXEOFULVQATUPL-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC=CCCCC[C@H](NCCC)c1ccccc1	2059250941	VLTZYVOEDFGSEC-KRWDZBQOSA-N	245.410	4.864	0	10	BJAE	
CCCC1CC(N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)C1	2059393502	GZCOPYGAOMEROR-QZRVTLOJSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)C1(C)CC(C)(C)C1	2060922415	RLONRLJFLRQIHJ-DZGCQCFKSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)C1=CCC(C)(C)CC1	2061111917	AIZWLLMVEQJJNW-CWRNSKLLSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CCCCC[C@H]2C)CC1	2061113102	LQVYFEPCGLEKFF-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCCCC[C@@H]2CC)CC1	2061116353	PKLMXRIKTALDHT-HLLBOEOZSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](CC1=CCC(C)(C)CC1)CC1CCCC1	2061148758	XNOHAQKZWMGKHQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
O=C(CC[C@@]12CCC[C@H]1C2)C1CCCCCCC1	2061605827	IFZHVLYNLMUELT-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CC(N)(CC[C@@]23CCC[C@@H]2C3)CC1(C)C	2061617262	OFYIIIOAPIOFMW-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CCC[C@@H]2C[C@H]2C)cc1	2062618973	HHJOUJNDUYBEFU-XYPHTWIQSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2cccc(C3CCC3)c2)N1	2066376805	ZARVYAZOLNVGNP-IAGOWNOFSA-N	243.394	4.547	0	10	BJAE	
CC(C)C(CC(=O)[C@H](C)c1ccccc1)C(C)C	2068986244	GXUNUJAXVMHDCV-CQSZACIVSA-N	246.394	4.678	0	10	BJAE	
CCN[C@H](C[C@H]1CC12CCC2)C1(C)CCCCC1	2069214234	KCDXSWFCPWNFOS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2CC3CCC2CC3)CC1	2069507113	MAEWSQXYQQZPIB-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(N[C@H]2CC[C@H]2C2CCC2)C1	2071794386	NATXGEJOUKTAHD-KMZOKZLKSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(CN)CCC23CCC3)CCC1	2071946122	MUZOGEZZYAWMQI-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H]2C=CCCC2)CC1	2072702360	KXWZFUBZUJSLOE-JYJNAYRXSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@]23CCCC[C@H]2C3)C1	2074031232	XPJNYWSRGMZTPE-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCCN(CCC2=CCCCC2)CC1	2075147466	JDOACKRZKCVBNE-MRXNPFEDSA-N	249.442	4.779	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]2C2CCC2)C1	2079330409	YHWJPQFNYPXALP-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2079482798	DYGLVJBLYJSCJO-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CC1(CCC(=O)[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079493113	VSWOEWPGTVCHBA-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCC1(CN[C@H]2C[C@H]2C2CCCCCC2)CCC1	2079526355	FAOPBNDLFPAPPU-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1ccccc1C1CCC1	2079639342	IAVDSWJWJRQTRP-GJZGRUSLSA-N	243.394	4.802	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@H]1C1CCCCC1)C1CCC1	2079838529	JZDLGAHQPJJFJP-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](C[C@@H]2CC23CC3)NCC)CCC1	2086359872	WBZUZHXZGFNSGU-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](CCC=Cc2ccccc2)C1	2210663075	XGXRKZNWLFCTHD-HOCLYGCPSA-N	214.352	4.916	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1C[C@H](CC(C)(C)C)C1	2213119925	SGULWEVWOUDCJY-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2CC[C@@H]2C)CC1	2214947403	BJPOGKKAFPNVEI-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)C[C@H](C)CC(C)(C)C	2215254925	QIYYWEUFSAKRDS-LJISPDSOSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@]1(C)CC=C(C)CC1	2215807741	BHFFUZQLBSITPD-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C2CCCCCC2)CC1	2215822877	CCGKTIHRUWKDHO-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C(=O)CCCCCCCC1CC1	2216879750	MUMXBKABVBKRGD-CZUORRHYSA-N	236.399	4.742	0	10	BJAE	
Cc1cc([C@@H](N)CCCCCCC2CC2)oc1C	2218726997	QKBVVQVQFHEAJL-HNNXBMFYSA-N	249.398	4.647	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C1(C)CC2(CCC2)C1	2220999356	HSHZUWPFDSNORW-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2(C)CC3(CCC3)C2)C1	2221073433	URKIJNBOJZTJPQ-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C(CCCC1CC1)CCCN1[C@H]2CCC[C@H]1CC2	2223110911	VHLZGKVKXYBOAM-IRXDYDNUSA-N	249.442	4.754	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CCC2)CCCCC12CC2	2223590708	ZIUBDHQLVWCGFH-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
C1=C(C[C@@H]2C[C@@H]2c2ccccc2)CCCC1	2243237397	LQZLTLSHNKMHOS-HZPDHXFCSA-N	212.336	4.681	0	10	BJAE	
CCCCCC[C@H](O)c1csc(C2CC2)c1	2243492641	MVYQQDMEVWEURW-ZDUSSCGKSA-N	238.396	4.629	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@H]1CCCCC12CC2	2246614285	JFPZHCSREUSREE-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CCCC[C@H]1CCC[C@@H](C)C1)NC	2246659441	IMGULIMTSJYZFF-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC)CC1CC2(CCCC2)C1	2246811441	APOKHQMLEMSGNX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@@]1(C)CC=CCC1	2247174667	GYXBARFGEHVMEF-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CCCCCC[C@H]1C[C@H]1C)NC	2248809436	RTSGVTYRPJMUKI-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(=O)c1ccc(C2CCC2)s1)C1CC1	2250279484	KPXFFYPQIZRWDW-SNVBAGLBSA-N	248.391	4.635	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cc2ccccc2s1	2250369840	GZKODXORQYUZEF-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](CO)C(C)(C)C	2250517164	BDCDKGPCQHWDQZ-GJZGRUSLSA-N	242.447	4.884	0	10	BJAE	
CC[C@H](CN)[C@H](F)CC[C@@H](C)CCCC(C)C	2250530427	UIZMGWQHUZVOMU-RRFJBIMHSA-N	245.426	4.552	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@]12CCCC[C@@H]1CC2	2251128175	PSXKQWNIYOMUEX-LZWOXQAQSA-N	236.399	4.598	0	10	BJAE	
O[C@H](CC1=CCCCC1)C[C@@H]1CCCCC12CC2	2255095032	QHSPUJJEMRYFMC-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)CC[C@H]1CCCC12CC2	2255225803	LSXOLSZQXJMBGQ-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCc1ccc(OCCCCC[C@@H]2C[C@H]2C)cc1	2257248949	VBBXTKOICBFLCY-GDBMZVCRSA-N	246.394	4.844	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC1(C2CCCC2)CC1	2257337179	DUGIJXIAIQVRSU-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC=C1[C@H]2CCC[C@@H]1C[C@@H](N)C2	2258021137	APPPUJMOOHSNDY-MUJYYYPQSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](Nc1cc(C)c(C)c(C)c1)c1ccco1	2258234485	CNGJMWQOSZJURD-OAHLLOKOSA-N	243.350	4.768	0	10	BJAE	
CCCC1(NC[C@@]23CCCC[C@@H]2CC3)CCCC1	2260587291	MERIPSFIKGAMFJ-CVEARBPZSA-N	249.442	4.659	0	10	BJAE	
CC(C)[C@]1(C[C@]23CCC[C@H]2CC3)CCCCCN1	2260658328	OMDIOGKLIIEZNA-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
c1cc(NCc2ccco2)cc(C2CCCC2)c1	2260670473	VVDHZOLWWRWWPE-UHFFFAOYSA-N	241.334	4.549	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1N[C@@H]1CC(C)(C)CCC1(C)C	2261395849	RXBKNOHEVYLPQJ-QLFBSQMISA-N	249.442	4.536	0	10	BJAE	
CC1CC(CCC(=O)CC2C[C@H]3CCC[C@@H]3C2)C1	2261512690	JMVNDHBRDZTSMC-BCAXMMLOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1C)C(C)(C)CCC	2298182979	DGDGFFMDRAPNKU-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C(=O)[C@@H](C)CC1CCC1)C(C)C	2298906296	XXTCGKRKACHZRT-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
C[C@H](CC1CCC1)[C@](C)(N)CC1CCCCC1	2298927790	WMOKCGXOMZUWML-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@H](CCC(CC)CC)C1	2300686478	RDTCARRQQXKCDZ-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCNC[C@@]1(CC=C(C)CC)CCCC[C@H]1C	2300868999	DYNAIYTVECEUCJ-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H]1CCCC(C)(C)C1	2300871663	HVAAIISKZXXPPX-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]1[C@@H](CC=C(C)CC)CCC1(C)C	2300899490	OSIRKUVMCORNOG-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CCCCC(F)(F)C1	2300927061	RIGBSHGIQFXCRU-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1CC(C)(C)[C@H]1C	2302127898	NBCYECSRUABOMQ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@@H]1CCC(C)(C)C1	2302757883	HCDYRIOZKZNPIO-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C2(C)CC(C)(C)C2)C1	2302882704	MSJUBZRFEMXGNX-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@@H](C[C@@H]1CCC(C)=C(C)C1)NC	2303595106	OUBQPFGZSQVHEO-MAZHCROVSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@@H]1CCC(C)=C(C)C1	2303601485	PWEKSMOCCBORRX-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1(C2CC2)CCCC1	2307817467	PPBYOZRYWRGPDR-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC(C)(C)C[C@H]1C	2307840954	DVDUAQSGGGXFOZ-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CNCC)CCC1(C)C	2307899941	SKUQHPAYBACVTE-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@H](C)C(C)(C)C	2307907413	LGPBSCHIILYUBA-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](C[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1)C1CCC1	2308415190	YWQSPMFRMVWIKK-LLLHUVSDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309129646	IDHAQTOPTJBLHI-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@@]12CCCC[C@@H]1C2	2311127024	ZCMGIOQCITUTKQ-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC1CCCC1)C[C@@H]1C[C@H]1C1CCCCC1	2311565196	BDFRDWRFOAZHBR-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CCC1)C[C@@H]1C[C@H]1C1CCCCC1	2311608511	MJYDHYHBHHGFLG-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](O)c2ccc(C)c(CC)c2)CCC1	2314693365	AUTPDDLDABFVCT-MRXNPFEDSA-N	246.394	4.561	0	10	BJAE	
CCC(CC)CCC(=O)c1cccc2c1CCC2	2316271490	QTNILUAPPUIXLG-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC(=CCN[C@@H]1C[C@@H]2CCC[C@@H]21)CCCC(C)C	2316490972	PFOOFVVLBKVTAY-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H]2CCC[C@H]1CC2	2316883270	GYAAKSABWDFLFW-QEOTZNIISA-N	249.442	4.514	0	10	BJAE	
O=C1CCCC[C@@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2317006013	BBEXSNZESPSQND-VGWMRTNUSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1[C@H](NC2CC3(CCCCCC3)C2)CC1(C)C	2318182128	JSVCIXGHGKOEJC-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C)c1ccc(C)c(C(CC)CC)c1	2318387789	SEXGZSBZKJKSFK-CQSZACIVSA-N	247.426	4.959	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)CCCC[C@@H]2C[C@@H]21	2319450784	WBQFAOGMXIFULK-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H]2C[C@H]3CCCC[C@H]3CN2)CCC1	2319875418	LQHBCVIPFITLDW-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC[C@@H](O)c1ccccc1	2320244771	VBFMPXBKRXVBNZ-VNQPRFMTSA-N	246.394	4.573	0	10	BJAE	
CC[C@@H]1CC[C@H](NC[C@H]2CCC(C)=C(C)C2)[C@H]1C	2320407357	ZVGMZHMHSPTMJW-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2320409697	XKORXTRHLWGTAX-JYYAWHABSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@H]2C=CCCC2)c1	2320571926	NYNZSNUMNGURTR-AWEZNQCLSA-N	242.362	4.739	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](N)(CC2CC2)C2CC2)CC1	2320756482	YMTKSOUIYQBFNB-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(N)([C@H](CC2CC2)C2CC2)CC1	2320775580	JEZZOSJDPOPPLI-KLAILNCOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@]23CCCC[C@@H]2C3)C1	2321628163	PPNHSCWMGJQYQE-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@@]23CCCC[C@H]2C3)C1	2321634785	VFTUJTPXLYKIMB-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)CN(CC(C)C)c1ccccc1	2328103191	WXCGHHFOEZUYJH-INIZCTEOSA-N	247.426	4.975	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)c2cc(C)oc2C)c1	20438313	FAALPOOHUXBTQK-CYBMUJFWSA-N	243.350	4.686	0	10	BJAE	
CCC(CC)N[C@H](C)c1ccc(CC(C)C)cc1	21512658	IESDNZXARUMCBQ-CQSZACIVSA-N	247.426	4.724	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)(C)C)cc1)C(C)C	37196535	CIOGJTIJEVXGJL-HNNXBMFYSA-N	233.399	4.831	0	10	BJAE	
CC(C)c1ccc(-c2cccnc2Cl)cc1	41258379	NKLMFWFZHUBUPU-UHFFFAOYSA-N	231.726	4.525	0	10	BJAE	
CC[C@H](O)c1ccc(-c2ccccc2C(C)C)o1	54107410	WIJWCTVLQXKDEL-AWEZNQCLSA-N	244.334	4.513	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@@H]1CCC[C@H](CC)C1	71156473	XYJVHHJNUIZHPM-LZWOXQAQSA-N	249.398	4.537	0	10	BJAE	
CC1=C2CC[C@H](C)[C@@H]2C[C@H](C(C)C)CC1	85827239	AAPYGFMEZRXPJI-GUTXKFCHSA-N	206.373	4.805	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cccc(C)c2)CC1	86893316	GMVWOYOWBYLJBL-LSDHHAIUSA-N	231.383	4.766	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H](C)c1ccccc1	87181213	VALUZHUEZNFDRK-GOEBONIOSA-N	234.383	4.512	0	10	BJAE	
CCC(=O)c1cc2cc(C(C)(C)CC)ccc2o1	88071710	JGXVRNUYJUBVIR-UHFFFAOYSA-N	244.334	4.713	0	10	BJAE	
CCCC[C@@H](CNC(C)(C)C)c1ccc(C)cc1	93138407	LTDAODLVOBJZOW-INIZCTEOSA-N	247.426	4.657	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@@H]1C)C1CCCCC1	103990848	AXQSWKSZUNIBQV-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CN[C@H](CCC(C)(C)C)c1ccc(C(C)C)cc1	109718173	ICQZYASQVZTFEE-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
Clc1cccc(-c2cccs2)c1Cl	115745949	UNSUTCXTIRCJRY-UHFFFAOYSA-N	229.131	4.722	0	10	BJAE	
CCCCC[C@@H](C[C@@H](C)CCC)NCCC	126093045	DOFAMCYJSGUNTN-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCCCC[C@H](N)c1ccc(C2CCC2)cc1	128830418	YSYRQPTVVBYHHL-INIZCTEOSA-N	231.383	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)NC1CCC2(CCCC2)CC1	129350184	BALAKHICBRXCTN-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)c1csc(Cc2cccc(C)c2)n1	132221600	UAHWCUIUPLIVJE-LBPRGKRZSA-N	245.391	4.556	0	10	BJAE	
CCCCC[C@@H](N)c1ccccc1C1CCC1	132662984	FFHLONVKCZZCOF-MRXNPFEDSA-N	231.383	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)CCNCC(C)C	132764870	XWLKUEFGWPPOER-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCCCCC[C@H](NC)c1sccc1Cl	133723538	XNFVEAGBKHUDLP-NSHDSACASA-N	245.819	4.632	0	10	BJAE	
CCCN[C@H]1CC[C@@H](C)c2ccc(CCC)cc21	136927981	TWAQEWONPYNYMG-DYVFJYSZSA-N	245.410	4.577	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)c1cc(C)ccc1C	162224371	FJBGGYLSVNMFIB-SUMWQHHRSA-N	247.426	4.780	0	10	BJAE	
Cc1cccc(C(=O)[C@H]2CCCCC2(C)C)c1C	226784088	UEYLZAMOVCAYMG-OAHLLOKOSA-N	244.378	4.703	0	10	BJAE	
CCC(CC)CC(=O)[C@@H](CC)c1ccccc1	229445046	FOBLBOAVLNOWSW-HNNXBMFYSA-N	232.367	4.576	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H](C)c2ccccc2)c1	232229930	FXARABWYBOZYGG-GFCCVEGCSA-N	245.753	4.822	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CNc2c(Cl)cccc21	233334448	FXYHOMKAPZUSOM-WDEREUQCSA-N	237.774	4.675	0	10	BJAE	
C[C@H](c1c[nH]c2ccccc12)C1CCCCC1	235084698	ZTHSJUYMPRGOJR-LBPRGKRZSA-N	227.351	4.852	0	10	BJAE	
C[C@](O)(C1=CCCCCCC1)C1CCCCC1	235416603	NGMOFXBBSKQONU-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2ccc(F)cc2C)C1	235680656	RXRIEZSWHLYRBW-RISCZKNCSA-N	247.357	4.538	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC[C@H]1C)c1ccccc1	251290802	RNBMOHIKQCIAMU-HYVNUMGLSA-N	245.410	4.696	0	10	BJAE	
CC[C@]1(C)Nc2cc(Cl)ccc2[C@H](C)[C@@H]1C	258080421	HIPOMCBDXBVEAE-BFVZDQMLSA-N	237.774	4.674	0	10	BJAE	
Cc1cc(C(=O)CCC2CCCC2)sc1C	300748985	KILFPCIBYJBWLT-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C(CC)CC	300872540	NLELXCDRGZVGPV-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CCCC(=O)c1cccc(Cl)c1	300953893	XQNDNPHXBVOELE-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CCC(C)(C)C	300963114	YSGGMUJPVZVNJL-ZIAGYGMSSA-N	228.420	4.780	0	10	BJAE	
CC1(C)CCC(N)(CCC2CCCCC2)CC1	302237052	ATAHNTQPLMAGIR-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@](CC)(CNCC)[C@H](C)CC(C)C	306087594	HKWCBEDQKRIZNI-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCCc1ccc([C@H](N)C(C(C)C)C(C)C)cc1	306116247	YYSVXPHUPVZCNP-KRWDZBQOSA-N	247.426	4.567	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CCC(C)(C)C	308047751	IBUJGXUEQFXAJB-KGLIPLIRSA-N	227.436	4.602	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CCC(C)(C)C[C@@H]1C	309991384	BIXRSLMAZJQTGJ-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CCCCCCN[C@@H](CC)c1cccc(C)c1	310299147	MYYDTTJNKLOEEH-INIZCTEOSA-N	233.399	4.616	0	10	BJAE	
CCCOc1cccc2c1ccn2C(CC)CC	310581605	WOASMNXOOUTCQK-UHFFFAOYSA-N	245.366	4.791	0	10	BJAE	
CC[C@@H](N[C@@H]1C=CCCCCC1)C1CCCCC1	310663291	XFTBFBAVSXUVQQ-IAGOWNOFSA-N	249.442	4.824	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCC23CCCCC3)C1	313017104	PIDXUMITJABNSL-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC[C@](C)(CNC(C)C)C[C@H](C)c1ccccc1	317679362	XKXJTMBALWRZCJ-RDJZCZTQSA-N	247.426	4.595	0	10	BJAE	
CCCCC1(CNCCC)CCC(C)(C)CC1	318799497	RFPKFXRVMJKUIU-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)[C@H](C)C[C@H]1C[C@@H](C)Nc2ccccc21	320056376	VPAHZUGBEXPBSP-MCIONIFRSA-N	231.383	4.657	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C[C@H](C)CC(C)C	379630526	KJVAFKRRLFBJJR-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CC1(C)CC[C@H]1Nc1ccc(Cl)c(Cl)c1	379947314	DPYOCTNGDMRYMI-LLVKDONJSA-N	244.165	4.594	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)C[C@H](C)CC(C)C	382681929	UTFNBWYTVNVEBC-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCC[C@@H](C[C@@]2(N)CCC[C@@H](C)CC2)C1	383617013	UOEMYPYEHWSKJR-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1	385165552	DVZTWPPUGCMLRW-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCCCCC(=O)c1ccc(Cl)o1	394842773	ZWGHZWJIXFGKNJ-UHFFFAOYSA-N	242.746	4.722	0	10	BJAE	
CC(C)C[C@@H](C)Nc1cccc2ccsc12	395386290	VNZDONCWSRTBHA-LLVKDONJSA-N	233.380	4.748	0	10	BJAE	
CCOc1c(C(F)F)c(C)cc2sccc12	396250336	SRUBDHXAAHSNAC-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCC[C@H](N[C@H](C)CCC(C)C)[C@H]1CC1(C)C	397713044	VHYKBVUODPIIDM-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](Nc1ccc(F)cc1C)[C@H]1CC1(C)C	397796683	QXMWAXIQZFFOJG-UKRRQHHQSA-N	249.373	4.761	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)CCC2CC2)c(C)c1	398026870	HQSSJEQQVUWLAV-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
CN[C@@H](CCC1CCC1)C1CCCCCCC1	398849119	MQTKKEJGYZEGHL-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc([C@@H](O)CCC(C)(C)C2CC2)cc1C	406130769	WVIPJMXBUUQZRZ-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
CCC(C)(C)CCN[C@@H](c1ccccc1)C1CC1	686309104	TVYOPJCKGUMMJQ-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](CCCC(C)(C)c1ccccc1)NC	686728561	LVGKHMDQJNGHPF-MRXNPFEDSA-N	247.426	4.523	0	10	BJAE	
CCN[C@@H](CC)CCCC(C)(C)c1ccccc1	686728631	MTYSHIDQOUSYJS-INIZCTEOSA-N	247.426	4.523	0	10	BJAE	
CCN[C@H](CCC1CC1)c1cccc(C(C)C)c1	688941078	VVHJPKBQUSYXKK-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCC(CC)C[C@](C)(O)CC1CCCCC1	689717631	RWLGHRBBGCNKNA-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCCC[C@@H]1C	691187458	PJHFBWVJPSCDHR-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@]12CCCC[C@@H]1C2	693169504	FQMMDOSKCVUSMZ-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCC1CCC2(CC1)CC2	695698415	FFNPPVJPCDBBKF-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC(C)(C)CC	696164194	PXIDRZBJZIXLML-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)CCC(C)(C)CC	696637107	XIVGOADHVLLFTP-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](C)C[C@@H](CNCC)C1CCCCC1	696857900	UOJZAQIMDNHCQI-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(=O)c1cccc(-c2ccc(C)cc2Cl)c1	704552642	AYSMGKCJRJSNSD-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CC1CCC(C[C@]2(N)CCCCC[C@@H]2C)CC1	704926267	GCKSDDAOFVDRIA-BHDPWAOGSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@H](CCC)C[C@@H](C)CC(C)(C)C	709121952	HIOILGIRIJAWNT-HUUCEWRRSA-N	241.463	4.865	0	10	BJAE	
C[C@H](C[C@H](O)C1CCCCCCC1)C(C)(C)C	710734947	HEBXNGWDKYPOMS-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](CC)(CO)C[C@H](C)C(C)(C)C	710745234	LURNAUKFXWOVGB-DZGCQCFKSA-N	228.420	4.638	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)C1(C)CCCCC1	710825408	UNYVJENYFDKGRC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC[C@@H](C)C(C)(C)C)C(C)C	711225626	MLNZYIHZDPKWLQ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1C[C@@H]2CCCC[C@@H]21	712410214	QWVHSYWILGHXNI-QRTARXTBSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1C[C@@H]2CCCC[C@@H]21	712411709	ZCORMPNMEJBPBU-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1C[C@@H]2CCCC[C@H]21	712423881	MEZASVLJXOGRDD-ARFHVFGLSA-N	243.394	4.548	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)c1cccc(Cl)c1	713713219	YUSWRZPMTZMRSO-NFAHFFEMSA-N	249.785	4.513	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCC(C)=C(C)C)C1	719151723	PGSBBSMDPUNSPF-HUUCEWRRSA-N	236.399	4.908	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	723130688	JBZPOYGEVFYMJJ-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CCC2CCCC2)CC[C@@H]2CCCC[C@H]2C1	723613897	RZUOITDSQWIVCS-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CN(CCC1CCCCCC1)c1ccsc1	1473596127	AENULUZERXEVDT-UHFFFAOYSA-N	237.412	4.545	0	10	BJAE	
C[C@H]1CCC[C@@H](CSc2cccc(F)c2)C1	1613589783	HPUXIGHQQQLJED-NWDGAFQWSA-N	238.371	4.744	0	10	BJAE	
Cc1ccc(SC[C@@H]2CCC[C@H](C)C2)s1	1644009385	GNKYNEVYQQSCBZ-CMPLNLGQSA-N	240.437	4.975	0	10	BJAE	
CC[C@@H]1CCC[C@H](C=CCCNC(C)(C)C)C1	1876996621	UJJCEVWXKVSYRE-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CO)CC=C(C)CCCC(C)C	1900903488	OPXQHIXKNDTLRO-HNNXBMFYSA-N	226.404	4.558	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC1CCCCCC1	1901135730	KFELWEGNIPDKQT-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@](C)(O)SCCCCC1CC1	1904892279	YLEMOYMJQDDKBH-AWEZNQCLSA-N	244.444	4.589	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@@H]1C[C@H]1CC	1906232316	MNSMBJMHVTZUQR-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
Cc1c(Cl)ccc2c(C(C)C)coc12	1907195049	YLFFXVDHZRTUBU-UHFFFAOYSA-N	208.688	4.518	0	10	BJAE	
CCCC(CCC)C(=O)CC[C@@]12CCC[C@@H]1C2	1908424154	JDSHJFKLKIRACH-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CC)C[C@H](C)CCC	1909597407	GKZAZGKUIMPNDV-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)c1cscc1C	1911962374	IMMBIVXINDEKHG-OAHLLOKOSA-N	249.423	4.620	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1CCC[C@@H](C)C1	1919959033	KOLJPEKJKLMETG-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)CC(CC)CC	1919964701	RLJJCXOAYGHJLX-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)[C@H](C)C1CCCC1	1924077661	GLFRICSMZCZGGX-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC[C@H]1C=CCCCC1)C(C)C	1925888437	GNNDAKGTPPIMHW-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1cscc1Cl	1927981352	YVFFUCAIKCATGT-CABZTGNLSA-N	246.803	4.507	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC1(C)CCCCC1	1935623260	PCHSIDVNNAUWHK-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@H](C)C1(N)CCCCCCCCC1	1938719538	VKBQHIFNEHCZBR-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](C)NCCCC(C)(C)C	1940243349	MIBBAPOXFILDHL-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CC1(C)CC[C@@H](CC2(C)CCCCC2)[C@@H](N)C1	1940400787	DBZKKMMOQNMZPK-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CC1(C)CCCCC1	1940407814	JPCQVABLXNTRRD-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)CC1(C)CCCCC1	1940414183	HYYLUYXLPWLJLB-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@@H](NCCCC2(C)CC2)CC1	1940882615	QZNIGLNVSKZOFR-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccccc1C1CC1	1941553744	SCVYRILTZKQZII-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1C(=O)CCCCCC1CC1	1941590547	CHOWREXAZBSKEO-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
C[C@H](Nc1ccccc1C1(C)CC1)C(C)(C)C	1944596697	QQMQZEISPQGYDJ-LBPRGKRZSA-N	231.383	4.585	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](N)CCC1CCCCC1	1944820190	PMRLKHJBQPMYIQ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CCCCC1(F)F	1947306703	UYTIVJPEALKOFJ-CHWSQXEVSA-N	247.373	4.513	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CCC1CCCCC1	1947517167	YTLRBBSMSKKILU-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CCC(C)C)CCC(F)(F)CC	1947882283	AVBAWWZKXMVYRF-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1(C)CCCCCC1	1948983978	OYYGZIFGSXDGHY-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CC1CC2(CCC2)C1	1949850358	LJXUXKAAILYZSJ-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1C[C@@H](C)[C@@H]1C	1968602153	GSUWTNJCHAQOJS-DVOMOZLQSA-N	231.383	4.575	0	10	BJAE	
Cc1cccc(F)c1NC[C@H]1CCCC(C)(C)C1	1969467828	KZSZBNFPWNCTMY-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
CCCC(CCC)CN[C@H](CCC)C1CCC1	1969867596	WZHMLAQSEDWEOS-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC1(C)CC(N[C@H](C)c2cc(C)cc(C)c2)C1	1973589222	GDPDYAUKECUTGP-ODIFPOPNSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C(C)(C)CCC	1976003025	IDRVIVCSCFEFAF-UONOGXRCSA-N	228.420	4.780	0	10	BJAE	
CSC(C)(C)CC(=O)C[C@@H](C)CC(C)(C)C	1978455858	OYPJFNRIWDUZAK-LLVKDONJSA-N	244.444	4.550	0	10	BJAE	
CC(C)=CCCCC(=O)c1ccccc1Cl	1980685940	XMWRDHVEEZWVMR-UHFFFAOYSA-N	236.742	4.659	0	10	BJAE	
CCN[C@@H](CCCC=C(C)C)c1cccs1	1980688152	UMCFQPACRDZJFS-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
CCC(CC)CN(C)CC(CC)(CC)CC	1985600103	WNVOHFOHHGLHAS-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C)C(C)(C)CC	1986938044	LVQGVWSVURUYSL-KBPBESRZSA-N	227.436	4.616	0	10	BJAE	
C[C@@H]1CC[C@H](CCC(=O)CC2CCCCC2)C1	1996238395	QTULFNNOUQDEDT-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H](O)C2CCCCCCC2)C1	1996274100	YTQWBHOAFJELJJ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)CNCC1CCCCCCC1	1996618223	YUBCGHCZQMTZAJ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C[C@H]1CCC[C@@H](N(C)C2CCCCCC2)CC1	1997205196	LLBBKFHIABZHEK-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H]1CC=CCC1	1997545913	HILYZSBZVAGGHM-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1CC(C(C)(C)C)C1	1998239266	HXFVVEZMKVSSFU-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@H]1C=CCCC1	1998377990	PZJJCJRUBROEKE-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CC[C@H]1CCCC(C)(C)C1)C(C)(C)C	2000164212	WVEPHRYHGPHBOW-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)C2CCCCCC2)C1	2000181239	FPAPRAFNEWLLHI-DOMZBBRYSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@H]1CCC(C)(C)C1	2000324814	WRYKAUXFRWXREU-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C1CCCCC1)C1(C)CCCCCC1	2000336158	ONSIYUHAYNUBEH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CC12CCCC2)NCC	2001211607	SRPYDNFFYYSJLM-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H]1CCCC(C)(C)C1	2002993789	NRWYXZCCRQXRAQ-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H]1CCCCCC[C@@H]1CC(C)(C)CC	2003119837	WWEXJWYBYBPXNJ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@@H]1CCCC2(CC2)C1	2003212830	ZUQGMBOMGYXWOZ-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CC(C)=CCC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2004192851	AYFWLSZGWKVRCZ-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H]1CC[C@H](CC)CC1	2004225005	AUVUKUQYNTYPQH-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@]1(CNCC)CCCCC12CC2	2005566852	YKGYEGVSILKMSW-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CCCCC12CC2	2005591612	HUQYPLVLRNSSMR-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C=CC[C@@H](CC)C1	2006613148	HADDBUTUSRTYJU-ARFHVFGLSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](CCC2CCCCC2)C1	2006673429	KXHLYASEIVBIJR-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
F[C@H]1CCCC[C@@H]1Nc1ccc2sccc2c1	2006685336	XLNGOJYTVGEHJZ-STQMWFEESA-N	249.354	4.594	0	10	BJAE	
CC[C@H](N[C@H]1CCCC(C)=C1C)c1cccs1	2006911778	DBYGQHZGDDSVOX-KBPBESRZSA-N	249.423	4.678	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@@H](C)CC[C@@H]1N	2009419085	HOQMSWQPAALPHT-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CC=CCCC[C@@](N)(CC)CC1CCCCC1	2009580145	XLSCSZVUZQMPMP-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
Cc1ccc(CCC2CC(=C3CC3)C2)cc1C	2011090657	SGRKWWKJDAULOG-UHFFFAOYSA-N	226.363	4.736	0	10	BJAE	
CCCCC[C@H](CCC[C@H]1C[C@H]1C)NCCC	2011580262	APOZBSIMDACROU-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(C(C)(F)F)cc1	2012747770	DJCKDIAOCQTCIJ-LBPRGKRZSA-N	241.325	4.789	0	10	BJAE	
CCCC1([C@H](O)CC(C(C)C)C(C)C)CCC1	2015280330	DZMJQRHERFBVRT-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H](CNC(C)(C)C)C[C@H](C)C(C)C	2015399578	OFTXCLWBWZNFDB-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](C=C(CNC(C)(C)C)C(C)C)C(C)C	2016113586	YLAAMWUIXGGERV-AWEZNQCLSA-N	239.447	4.639	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CCC[C@H]1CC1(C)C	2016146446	WUJAEYWTKLETQE-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)CC1(C(C)(C)C)CCC1	2017144868	WZWQAZAAFRWHCM-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CC(C)C1(C[C@H](N)CCC2CCCC2)CCC1	2017147810	HREQFFULPVGRHK-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@]2(O)CC[C@@H](CC)C2)CC1	2017649476	WIBVBKZQSGFJAZ-KNIAUWFNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@H](C)C2)CC1	2017727898	FOGJRXOCIFASKX-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)c2cccc(SC)c2)CC1	2018957017	ORQVDNMVDSAVAW-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCC1(C[C@@H](N)[C@H]2CCCC(C)(C)CC2)CC1	2018991369	JTWJBYISOPHJFE-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCC2=CCCCC2)C1	2019769409	QWHNMDXQOTZKCP-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC[C@@H](N)CC1CCCCC1)C1CCC1	2019853254	RNRPPKYRXKDYHF-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCCN[C@@H]1CCC2(CC2)C1	2021787831	LQOFIEUKBIUYFS-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C=C[C@@]1(C)CNC(C)(C)C1)CC	2022134395	KYJJMGUWTDRGRQ-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC(O)(CC)CC[C@H]1C[C@@H]1C1CCCCC1	2022524561	ACJWGROYNQEGGW-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)c1cc(C)c(C)s1	2023980462	RJKVILNNYDTJAD-YGRLFVJLSA-N	248.391	4.540	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CC1(C)C)c1ccccc1	2027816761	XXXFEBVZWWHHHJ-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]3CC[C@@H]32)cc(C2CCC2)c1	2027993327	FLIVQAZYDYJZKN-RRQGHBQHSA-N	241.378	4.555	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1cccc(C2CC2)c1	2028554325	IWYKAIWBOAKJOO-SJORKVTESA-N	246.394	4.670	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2ccccc2C2CC2)C1	2028570626	YZWPGONKQUZCNE-JSGCOSHPSA-N	242.362	4.573	0	10	BJAE	
CCCC[C@@H](C)[C@H](C=Cc1ccccc1)NCC	2028583367	JQWOQXWJLQFPOE-WBVHZDCISA-N	245.410	4.504	0	10	BJAE	
C1CCC([C@H]2CCN2CCCCCC2CC2)CC1	2029047491	SUHVGFZVGSZAEY-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)C(C)(C)C(C)C)c1C	2032345299	BIRSXCNJDTZRHD-MRXNPFEDSA-N	247.426	4.602	0	10	BJAE	
C[C@@H]1C[C@@H](C2C(C)(C)C2(C)C)Nc2ccccc21	2034039266	HWUKZEAGSDXOSC-RISCZKNCSA-N	243.394	4.657	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@H](C)[C@H]2C(C)C)c1	2035409925	NIQFXLGZJZGAOZ-USXIJHARSA-N	245.410	4.786	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H](C)[C@@H]2C(C)C)c1F	2035413111	UVYWOVRFMMXZSH-LNSITVRQSA-N	249.373	4.617	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1NC[C@@H]1C=CCCC1	2035557893	BPVVTLSALFWTOU-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
N[C@@]1(C[C@H]2CC=CCC2)CCCC12CCCCC2	2037160239	XDNWJALVJWWNEK-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CC[C@@H](C)c2ccccc21	2037217020	WOABOQMRILJLMB-DYVFJYSZSA-N	245.410	4.564	0	10	BJAE	
Cc1cc([C@@H](N)[C@H]2CCCC(C)(C)CC2)oc1C	2039357281	QUXBAIAOTLLJDO-ZFWWWQNUSA-N	249.398	4.503	0	10	BJAE	
O=C(CCC1=CCCCC1)CC12CCC(CC1)C2	2039412213	ILNXFDUSYPMTNI-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CCC1CCC([C@H](N)[C@@H]2C(C)=CCC[C@H]2C)CC1	2039442136	QWFYEJDZBOQESP-LKRQVQDUSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1NC[C@@]1(C)CC=CCC1	2042069565	LAGLFFAEUUWTCO-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H]1CCCC2(CC2)C1	2043190422	JECRWRCGXMFGFM-GOEBONIOSA-N	247.426	4.578	0	10	BJAE	
CC(C)(C)C1CC(N)(C[C@H]2CCC=CCCC2)C1	2045317576	MVQQHRPBZLUFSA-UQPPLGOBSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(N)(C[C@@H]2CCC=CCCC2)CC1	2045320397	MMFOFNGWHIJWIN-AQFXKWCLSA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CC[C@@H]1CCC=CCCC1)CC1CCCC1	2045331220	CUPHVCBPTLXTTP-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1ccc(CC(C)C)cc1	2045585251	RMLIXRQUYAHAEU-UONOGXRCSA-N	246.394	4.750	0	10	BJAE	
NC1(C[C@@H]2C=CCC2)CCC2(CCCCC2)CC1	2045657026	GXTNBKYETFXGPA-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CCC1=CCCCC1	2045680020	CUIBIEYRXOUYLO-RHSMWYFYSA-N	246.394	4.829	0	10	BJAE	
CN[C@@H](C[C@H]1CC=CCC1)C1(C)CCCCCC1	2045736546	WNCUHXLCIHLSHI-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)[C@H]1C=CCCC1	2045981572	NXIHKJGWLQEYTK-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@]1(N)CCCCC12CCCCC2	2047562825	WFOULWYVBXGPST-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC([C@]2(N)CCCCC23CCCCC3)C1	2047563033	XIJADZRROBUYOF-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
N[C@@]1(C[C@H]2CCCC3(CC3)C2)CCC=CCCC1	2049847929	FPPHZZUAVZDVLI-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@]1(C)C=CCCC1	2050008766	VQDCDWYKVZAVTL-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(F)c(NC2C3CCCC2CCC3)c1	2050043054	SBAMLICUXMCARH-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC[C@H](C)CC(C)(C)C	2050459314	VUORHSNGLQLPSU-BBRMVZONSA-N	247.426	4.847	0	10	BJAE	
CC(C)NC[C@@]1(CC2(C)CCC2)CCCC12CC2	2053360361	VBKRQDYXEIWIIE-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@H]2CCCCC23CC3)C1	2053434124	OGCWYZPFVALPMB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1CC=CC1)C(C)(C)C1CCCCC1	2053662075	KYDCFEQKXBWEBA-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NC[C@H]1CCCCC[C@@H]1C1CC=CC1	2053706884	LVHTYXQQJCWRIO-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@]1(CNC(C)(C)C)C=CCCC1	2055279364	GIFJRCLSWIJDOU-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C2(C)CCC3(CC3)CC2)C1	2056539580	MUTILEGFZIFKOK-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@H](O)c1ccc(CC(C)C)cc1	2059222466	ZWBZGKKYHMUTFT-KRWDZBQOSA-N	246.394	4.665	0	10	BJAE	
CCCC1([C@H](NCC)C2=CC[C@H](CC)CC2)CC1	2061087514	GJNFTSZTARBFBL-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C1=CC[C@@H](CC)CC1	2061097306	BBAGBZKIPDMGCY-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](NCCC12CCC(CC1)CC2)C1CC1	2065257555	DIVNVCLBKXOMMN-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(=O)C[C@H](CC23CCC(CC2)CC3)C1	2065285893	KQRCSWANTQFEDP-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
CC1(C(=O)CC23CCC(CC2)CC3)CCCCC1	2065286304	PRLFKMYLIXHSDF-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCC1(C)CC([C@@H](N)CC23CCC(CC2)CC3)C1	2065301630	YAIVZGDICKNDPX-AYXGTZKJSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC1CC2(CCCCC2)C1)[C@@H]1CCC1(C)C	2068347946	GZDKTBVUHMQDTB-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](NCC1(CC2CC2)CCC1)C1CCC1	2069504376	AACBVLXBLRVYOB-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C[C@]1(N)CCCCC12CCCCC2	2070960639	XQVQQIUVWUBVKM-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCN[C@@H]1CCCC2(CCCCC2)C1	2071464845	HGUQHQWWKILGFD-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)c1ccc(C2CCC2)cc1	2072094118	HPDWKWJQFTUIKN-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2CC[C@H]3C[C@H]32)CC1	2072876190	XBPRAYQTKNKMKY-UIEKQHFFSA-N	248.410	4.598	0	10	BJAE	
CN([C@H]1C=CCCCCC1)[C@@H]1CCCC12CCC2	2074797084	MWFOKNQNPBREIU-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
CCCN(C1CCCCCC1)[C@H]1C=CCCCC1	2076553458	VWURCMLMAZHDOA-INIZCTEOSA-N	249.442	4.920	0	10	BJAE	
F[C@H]1CCCC[C@H]1Nc1ccccc1C1CCC1	2077261633	BCTPOCNGNUOULH-GOEBONIOSA-N	247.357	4.647	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNC1CCC2(CCCC2)CC1	2079451968	UNXKDXRECXJARE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC(=O)[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079472450	GWRPDHXIIDEYKT-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C)c1ccccc1[C@@H]1C[C@H]1C(C)C	2082714378	CUGVSDBIVJHHEA-COXVUDFISA-N	245.410	4.507	0	10	BJAE	
C1CCC2(CC1)NCCC[C@H]2CCC1CCCC1	2083812391	OCNCNEMYSTUDKS-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)CC1CCCCCC1	2215252120	MSBJUGMMKUAOOH-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC1(CN)CCCCCCC1	2215254232	SFOXVAZTIYGLIG-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCCC2(C)CC2)CC1	2215824741	WVRANGBIBWSDAG-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H](C)NCC1(CC(C)C)CCC=CCC1	2217126217	SZCXPEQMDTWAED-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(CCC)CNC1CCC1	2217136419	IMZRWOQDSAEROP-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CNC1CCC1)C1CCCC1	2217159076	JVLJCDJANQSIPJ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@@]1([C@@H](N)CCCCCCC2CC2)CC=CCC1	2218718867	SGJFFXYOODNLCD-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CC1(CNC2CCCCCCC2)CC2(CCC2)C1	2220934508	BXYFWWBQRWMVFO-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2CC[C@@H]3CCCC[C@@H]3N2)C1	2221026209	SXHQTEUEGWDVFT-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC1(C)CC2(CCC2)C1	2221035741	RXRJNRPLCPSOJJ-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC1(C)CC(C)(C)C1)C(=O)c1ccccc1	2221077028	VGDVFDUSDWOJTK-ZDUSSCGKSA-N	244.378	4.722	0	10	BJAE	
CC1=CC[C@@](C)([C@H](O)C2=CCCCCCC2)CC1	2221612810	APXYYHMNZREBPF-IAGOWNOFSA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@H]2CC23CCCC3)C1	2222255062	FAKJKTLCIXMSDQ-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC[C@H]2CCC[C@@H](C)C2)C1	2246666068	MRGVEVZYUQJDBR-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CCCC[C@@H]1C[C@H]1C)c1cccc(N)c1	2247091639	JUHMMBLLWJMTHP-MGPQQGTHSA-N	231.383	4.589	0	10	BJAE	
C1=C(CCc2ccc3c(c2)CCC3)CCCC1	2247516459	XRFFFEGAFBZUDW-UHFFFAOYSA-N	226.363	4.608	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)CC1=CCCCC1	2247525225	MNTPZHSUCZGHIZ-INIZCTEOSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC1CCCC1)NCC	2250351222	AYOINRRXXRNIIZ-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1csc2ccccc12	2250354002	ZPLKPAVCWMFVGV-ABAIWWIYSA-N	247.407	4.727	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2250364898	GJBASZBUNSROIA-CQJMVSDSSA-N	239.447	4.602	0	10	BJAE	
CCC1(N)CC(CC[C@@H](C)CCCC(C)C)C1	2250469714	RWEKBZDDWRRAGA-FHERZECASA-N	239.447	4.747	0	10	BJAE	
CNCC(C)(C)CCC[C@@H](C)CCCC(C)C	2250475884	UDGBEWKHDQUICF-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)CC[C@@H](C)CCCC(C)C	2250482055	QZHHGBPTGNBVCT-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@H]2CCCCC23CC3)[C@@H](C)N1	2253853628	KWDZFUDPBWJOOD-KLHDSHLOSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@H](O)CCCC[C@H]2C[C@H]2C)c(C)c1	2254582013	HIRQQASSMHTRAY-UKPHBRMFSA-N	246.394	4.553	0	10	BJAE	
CC=C(C)c1cc(CNCCC)cc(C(C)C)c1	2254715251	OPDUGLLABIGJCM-UHFFFAOYSA-N	245.410	4.733	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@H]1CCC12CCC2	2255018012	NRMKDCDGTBCESZ-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@H](C)N(C)CC2=CCCCC2)CC1	2255058100	LNLJCPWWZHUXGX-CKDBGZEDSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@H]1CCCCC1(C)C	2255062475	IAKHBBQCNCYDNQ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)C[C@@H]2CCCC23CC3)CC1	2255228285	RYXFOJWHSUGVFP-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC[C@H]2CCCC23CC3)C1	2255231461	BHCHSPWNHZTLMD-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@]12CCC[C@H]1C2	2257307040	KJSHBQCEOOGENS-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)c1cccc(NCC2=CCCCC2)c1	2257964512	VJFBXNRSDPPWDI-UHFFFAOYSA-N	243.394	4.896	0	10	BJAE	
C1CCCCN(C[C@@]23CCCC[C@H]2CC3)CCC1	2260566714	ODNBPKIELIHHPW-IRXDYDNUSA-N	249.442	4.613	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@]23CCC[C@H]2CC3)CC1	2260580801	BXVJXEUEAAAIBH-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]([C@H](C)CC1CC1)C(C)(CC)CC	2298850276	LXSPEESBULLAMT-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CN1CCCCCC1(C)C	2298883391	ZKMXPHWQGPTOMV-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(C)c(CC)c1	2299662973	OIKKIESUBAKOFC-ZDUSSCGKSA-N	232.367	4.566	0	10	BJAE	
CCC(CC)CC[C@]1(CNC(C)C)CC1(C)C	2300681691	RPPMHIIBIZZAON-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](N)c1c(C)cccc1C	2300681744	SAKFCDSTFVCUTR-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
CC(=CC[C@@H](O)C1CC(C)C1)CCCC(C)C	2300863810	UENZXZQVVBJIJZ-UYSNPLJNSA-N	238.415	4.556	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@]1(C)O)CCCC(C)C	2300892223	ARFRGJFJEDUMFU-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C(C)(C)CCC	2300927235	SXJFNIOZOIENLA-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](C)N[C@@H](C)[C@@H](C)C(C)C	2301688571	LBLAUBDTRQGBPK-SOUVJXGZSA-N	241.463	4.573	0	10	BJAE	
CC(C)c1ccc(O[C@@H](C)[C@H](C)C(C)C)cc1	2301840842	QPTBJXKOYWGZBH-KGLIPLIRSA-N	234.383	4.869	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@@H](C)[C@@H](C)C(C)C	2301984187	PEFBRTDWZGLTFO-JYJNAYRXSA-N	241.463	4.958	0	10	BJAE	
CC[C@H](CN[C@H](C)CC)C[C@H]1CCC(C)(C)C1	2302715251	DQOKSZNWAZFJFO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCC[C@H]2C[C@H]21	2302911231	TVQUBTZBFZQWKZ-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CC1=C(C)C[C@](CN)(C[C@H](C)C(C)(C)C)CC1	2303477720	ZULLCCKZXIQLLX-HOCLYGCPSA-N	237.431	4.524	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(CC[C@@H]2CCC(C)(C)C2)C1	2304436147	REGMNUKFIRQCDO-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2sccc2C=O)c1	2307517482	WCICVBHFUZZZBV-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CCC[C@@H](CC)CN(C)CC1(C(C)C)CCC1	2307750018	QDIHPXRPVOWIEO-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCNC12CCCC2	2307828061	FBCGASLFSTXTCK-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	2308400763	PHNYRNBFAPNXCJ-ZHCJQAHYSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CN[C@H]2CCC[C@@H]3CC[C@H]23)CCC1	2309524794	JPIBCSZLFAXGIU-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CC[C@@]23CCC[C@@H]2C3)C1	2310373592	CNBDJHCOAOWOTI-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@@]12CCC[C@@H]1CC2	2313296412	ZDLDHEMSAQJLAP-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C[C@@H]1CCCCC12CC2	2313644834	LGQDWHFAHOCISM-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)c1ccc(C)c(CC)c1	2314698053	VMTYMMNSQVAWSC-SJORKVTESA-N	247.426	4.630	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316869995	MLMYCVOGWAWSIH-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@@H]1CCC[C@H]1C	2317908152	WEVRAFBPOOUFBL-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCCOc1ccc(N[C@@H](C)[C@@H](C)C(C)C)cc1	2317994684	KMJLRYBZCZCTON-KBPBESRZSA-N	249.398	4.568	0	10	BJAE	
C[C@@]1(CNCCCC2=CCCCC2)C=CCCC1	2318533083	DTFUABZBXDYICK-QGZVFWFLSA-N	247.426	4.603	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)C[C@@H]2CCC[C@@H]2C1	2318534807	RUVIZZFGRSVLHN-FVQHAEBGSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@]1(C)C[C@H]1C	2318583927	VGLFIZQQQUSWOX-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]2CCC[C@H]2N1CCCC1=CCCCC1	2318592554	KHIZGQOVZVSENL-HYVNUMGLSA-N	247.426	4.530	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C[C@@H]2CCC(C)(C)C2)c1	2319024956	SWSNYTRGMFOTIZ-HOCLYGCPSA-N	245.410	4.520	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CCC(C)(C)C2)c1C	2319119007	PJFRHSZKDUIKGC-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
CCCC1CCC(C=C[C@@H]2CCCC[C@@H]2N)CC1	2319203958	MJYRUWAFXXSBGX-GQGLESIBSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](N[C@H]1CCCC[C@@H]2C[C@H]12)C1(C)CCCCC1	2319450657	KBQZVGODZPXJEA-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC1=CC[C@@](CN)(CC[C@@H]2CCC(C)(C)C2)CC1	2321618113	ARRIGWSZMLKXRA-RDJZCZTQSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CC[C@@H](CCC2(CN)CCC=CCC2)C1	2321619164	JNXVERPOKBZXQK-HNNXBMFYSA-N	249.442	4.668	0	10	BJAE	
CC(C)c1cccc(NC[C@]23CCC[C@H]2C3)c1F	2327781265	QDXFCBKQNRYUPL-BLLLJJGKSA-N	247.357	4.551	0	10	BJAE	
CCOc1ccc(N[C@@H](CC)C[C@H](C)CC)cc1	20551424	MKHOOMIAYKVTQC-KGLIPLIRSA-N	249.398	4.712	0	10	BJAE	
CC[C@H](C)Nc1ccccc1Oc1ccccc1	20557363	GCGHIPLZQQEGOV-ZDUSSCGKSA-N	241.334	4.689	0	10	BJAE	
c1csc(-c2cc3ccccc3s2)c1	34493692	ZNPHICPFIHYTRP-UHFFFAOYSA-N	216.330	4.630	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)c1ccc(C(C)C)cc1	36820127	AUSUVBACXIBVNF-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
Cc1ccccc1N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	36866026	NNHFFAKNLHWZMW-FRFSOERESA-N	245.410	4.868	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)c1ccc(Cl)s1	37284601	IFDYEBBIPAABGH-ZJUUUORDSA-N	245.819	4.631	0	10	BJAE	
Cc1cccc(N[C@@H](c2cccs2)C2CC2)c1	42328096	NNZCUAYBKANHPO-OAHLLOKOSA-N	243.375	4.620	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CCCSC2)cc1	61574555	LUDOJAGBNBCWFN-SWLSCSKDSA-N	249.423	4.508	0	10	BJAE	
CCCC[C@H](CC)Nc1c(C)cc(C)cc1C	69376979	IIMYHJATKDDKMV-HNNXBMFYSA-N	233.399	4.993	0	10	BJAE	
CCC(CC)C(=O)c1cc(C)c(Cl)cc1C	70023508	HNEMLDSYLBIUBM-UHFFFAOYSA-N	238.758	4.576	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccc(C)c(F)c1	70977649	RGRQXKFGSBOAJR-IUODEOHRSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H](C)CC(CC)(CC)CNC(C)(C)C	71128062	UKYKCLKENZPWCD-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@]1(C)CC(C)(C)c2ccc(C)cc21	71787087	BNTAYAAILUZALI-INIZCTEOSA-N	216.368	4.734	0	10	BJAE	
CCCN[C@@H](CCCCC(C)C)c1ccccc1	80425293	KTVUSVBOXNTMHG-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
CCCCC[C@@H](O)c1cc(Cl)cc(Cl)c1	83505411	VUOWTJQLWXALIZ-GFCCVEGCSA-N	247.165	4.607	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)C[C@@H]2C)cc1C	85084992	JGHVZEBTJQPLDT-HZUKXOBISA-N	231.383	4.540	0	10	BJAE	
C[C@@H]1CC(Oc2ccccc2Cl)C[C@@H](C)C1	85149891	GVSXJFSFOQYKJD-QWRGUYRKSA-N	238.758	4.544	0	10	BJAE	
CC1=C2C=C(C(C)C)CC[C@@H](C)[C@H]2CC1	85826915	HLXDFKWNOTZIEI-BXUZGUMPSA-N	204.357	4.725	0	10	BJAE	in-vitro
Cc1cccc(COc2cc(Cl)ccc2C)c1	88764904	MVMNPMYOGAHYTG-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCCNC[C@@H](C[C@H](C)CC)c1ccccc1C	93106740	SZSRKUKAMXFRAA-GDBMZVCRSA-N	247.426	4.514	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)c1ccc([C@@H](C)CC)cc1	104044274	BKUHSENXJWDQAH-WOSRLPQWSA-N	234.383	4.670	0	10	BJAE	
CCCC[C@@](CC)(CNC)CC(CC)CC	128410834	BYXYDCPNARFBDI-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(C)(C)CCNC(C)C	133933219	HCEQNZUFJFNAJD-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(=O)c1cccc(SC2CCCCCC2)c1	149353024	ZNOPDOBOWKVRJZ-UHFFFAOYSA-N	248.391	4.704	0	10	BJAE	
CCC(CC)C[C@@H](O)C1(CC(C)C)CCCC1	157346273	VMZUQJFFXWWABI-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CC1(C(=O)c2ccc3ccccc3c2)CCCC1	165266623	WWNOOWNLVFXXSK-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1cc(C)cc(C)c1	166802599	OAJVBWCTTDJLOX-MRXNPFEDSA-N	234.383	4.553	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC(C)C)NCCC	168023156	XEFRNKKUZSMLMC-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](NCC)[C@H](CC)c1ccc(CC)cc1	212614959	SKCKBUGQVVRSJO-SJORKVTESA-N	247.426	4.521	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(O)CCC[C@@H](CC)C2)C1	226986220	LOBUMBXDPNEIPR-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@]2(N)CCCC[C@@H]2CC)C1	227020975	SJTFPBZOOJYGDG-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CC1(CN[C@H]2CCCC[C@@H]2C2CCCCC2)CC1	232930329	LCAQITXDLKRMOR-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@@H](C)c1ccccc1	233168398	VHZBYFWASWDNLT-YQQAZPJKSA-N	247.426	4.595	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)C1CCCCCC1	233288276	QFXVUXMNKWCXIW-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](CC)CC[C@H]1O	251336723	LXMHGAIXMGVXMP-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC)[C@@H](c1ccccc1)[C@H](C)CC	253196769	TYCBKIGSUQOWCQ-DJIMGWMZSA-N	247.426	4.595	0	10	BJAE	
Cc1nc(-c2cccc3ccccc23)sc1C	259343980	PSQQLPFTOLHUIR-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@@H](C)CC(C)C	302588874	TZPPEQWDMBNRJB-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(Cl)c(NC(C(C)C)C(C)C)c1	304414417	CZSJTGYXGRFAIB-UHFFFAOYSA-N	239.790	4.741	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)c1cccc(C)c1	305940670	REALHRIXTAKBQU-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1ccc(C(C)(C)C)cc1	305968335	PLWMZUJPFGCBIH-BBRMVZONSA-N	248.410	4.700	0	10	BJAE	
CCOc1c(Cl)c(Cl)cc2ccsc12	306538233	JKDAYRVMBFEZDD-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)c1ccccc1CC	308053716	NFVFSRLDKBNGAK-NVXWUHKLSA-N	247.426	4.711	0	10	BJAE	
C[C@@H]([C@@H](O)c1ccc2ccccc2c1)C(C)(C)C	310697396	BIXBQJAZVDUPJH-BLLLJJGKSA-N	242.362	4.555	0	10	BJAE	
CCCC[C@]1(CNCCC)CCC[C@H](CC)C1	319275239	LXJDIVHIYYEEJQ-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H](C)[C@H](C)CC	319534790	BJFHCFXVCHPSHD-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)C(C)(C)C1CCC1	322327392	TZAPREXLYMSBFI-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(N[C@@H]2C=CCCCCC2)cc1C	380632779	QAYJGQSCVCIYFD-MRXNPFEDSA-N	243.394	4.858	0	10	BJAE	
CC(C)CCCCCCC[C@@H](N)C(C)(C)C	383140722	FJTOIUDCGDJAQG-CQSZACIVSA-N	227.436	4.747	0	10	BJAE	
CCCN[C@@H](C)CCCCCCCC(C)C	383177206	MEYMIYYOLHGMKN-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCCC1CCC([C@H](N)CC2(C)CCC2)CC1	383725510	WBPNSDLEMFFIGO-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CSc1ccc(C(=O)CC2(C)CCCC2)cc1	383930251	FHTLFNMXDGMUCC-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C1CCCCCC1	385206461	PTTDLOKBODCVAW-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCc1cc(NCCC2=CCCCC2)ccc1C	385237194	UYWOPTZHBHBJQP-UHFFFAOYSA-N	243.394	4.860	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2CCCC23CCCC3)CC1	385689250	DMFPJTGDGAPSIS-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cccc3ccsc23)C1	386195810	CWJAOULFEFZOBZ-WCQYABFASA-N	245.391	4.892	0	10	BJAE	
CCCN[C@H](c1cc(C)cs1)[C@@H](C)CCC	393929786	MAJMXIPDOBZGRW-JSGCOSHPSA-N	239.428	4.533	0	10	BJAE	
CSc1ccc(N[C@@H]2CCCC23CCC3)cc1	394756397	YFSGHTOLAIACBW-CQSZACIVSA-N	247.407	4.543	0	10	BJAE	
CCC[C@](O)(C1CCCCCC1)C(C)(C)C	395510971	WLTKXQNRXFJPNB-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](N[C@H](C)c1cc(C)oc1C)C1CCCC1	395647361	WBOOSTTZCCBWNR-WBMJQRKESA-N	249.398	4.516	0	10	BJAE	
CSc1ccc(C(F)F)c2scc(C)c12	396401349	FANGKIBDKOYFEF-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@H](Nc1cccc2ccccc12)[C@H]1CC1(C)C	397599783	LKHXRIYLODDILL-SWLSCSKDSA-N	239.362	4.686	0	10	BJAE	
CC[C@@H]1CC[C@](CCC2CCC2)(CNC2CC2)C1	398666912	QLSRKCLWNFHFEN-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CCNc1ccsc1Cl)C1CC1	406021949	FCRHNISOPMKIAN-UHFFFAOYSA-N	243.803	4.640	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](CCCC2CC2)C1	406135301	ZNDXLIMDJJZKPR-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@H](C)CC	688921741	QVOVZVKIYOXAHN-CJNGLKHVSA-N	233.399	4.507	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCCCC1CCC1	689071487	WAVYVGANLGIULV-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)CC1CCCC1	689831485	MTUHUAYFUPBDTN-GOEBONIOSA-N	239.447	4.904	0	10	BJAE	
CSc1cccc(N[C@H]2CCCCC[C@H]2C)c1	691104191	OMUIJXAIDTXEQN-DOMZBBRYSA-N	249.423	4.789	0	10	BJAE	
CCC1CCC([C@@H](N)[C@H]2CCCC3(CC3)C2)CC1	695984555	LEJUDRWRWDUOSQ-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCCC[C@H]1C1CC1	696103869	JLKUPUWOTQQSTL-DZGCQCFKSA-N	247.357	4.515	0	10	BJAE	
CCC(C)(C)CCOc1ccc(Cl)cc1	696782973	BOLIHKRKMNLIHY-UHFFFAOYSA-N	226.747	4.545	0	10	BJAE	
CC(C)=CCCC[C@@H]1CCCCC1(F)F	698052892	BGMRFIFCKNCXGV-GFCCVEGCSA-N	216.315	4.948	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CCCC23CC3)c1	706226760	HFRYVLNWCSGQCB-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)c1cc2ccccc2o1	708250870	JGUPTRBNYUEJAC-XHDPSFHLSA-N	245.366	4.505	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1C[C@H](C)CC(C)(C)C	709099052	ATTMRPNKCFEMRL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC(C)(C)CC(F)F	709136905	VYINAAVFIFULJC-JTQLQIEISA-N	248.357	4.699	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)C1CCC(C)(C)CC1	713740085	NRDQTHZYWBZMBU-WAVCKPEOSA-N	249.442	4.703	0	10	BJAE	
O=C(c1ccsc1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714433407	KLGGPBHFKMNLFC-KWCYVHTRSA-N	248.391	4.537	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)CCC(C)C	718570560	BUXOJIXIEHCVBB-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CCOc1cc(Cl)ccc1C	718596803	VXECFTTZLMHNQM-UHFFFAOYSA-N	238.758	4.774	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H](C1CCCCC1)C1CC1	723979339	BUBRZUUUXWLZFS-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)N[C@H]1CCCCC12CCCCC2	1875414261	KQAOMSJLFJNOMG-HNNXBMFYSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H](C)N(Cc1ccccc1)[C@@H](C)CC(C)C	1880408944	FUNQCCRFQDHRDE-CVEARBPZSA-N	247.426	4.722	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@@H](C)CC	1900838604	BOTJMPNUXWNMKZ-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCC(C)=CCC(=O)c1cscc1C(F)F	1900901526	VIHWRASHOYLNSR-UHFFFAOYSA-N	244.306	4.615	0	10	BJAE	
CCCC[C@@H](O)CC=C(C)CCCC(C)C	1900904042	AQQCGVLPNFUSJT-OAHLLOKOSA-N	226.404	4.700	0	10	BJAE	
Cc1ccc(O[C@@H](C)[C@@H](C)C(C)C)c(Cl)c1	1901681977	JPZREGJXGOXMTP-RYUDHWBXSA-N	240.774	4.708	0	10	BJAE	
C[C@@H]1CC[C@H](c2nc([C@H]3CC3(C)C)cs2)C1	1901906273	CWKPMOVZLHJJNA-OUAUKWLOSA-N	235.396	4.560	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@@H](C)c1cccs1	1905304929	MPQWALRBJOAAHT-QWHCGFSZSA-N	239.428	4.567	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@]1(C)CC=CCC1	1905313020	WTGMLRSOAMGMCL-UKRRQHHQSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C)c1ccc(N)cc1	1905357484	BWIUIXPYZCSGBU-OLZOCXBDSA-N	219.372	4.589	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1sccc1CC	1905433094	FOJZCTVTAJKVBL-WCQYABFASA-N	239.428	4.527	0	10	BJAE	
CC(=CC1CCC(C)(C)CC1)C[C@H]1CCCCN1	1911535094	HDALBKOALSGXRT-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC=CCCN[C@H](C)c1cc2ccccc2s1	1912022456	KDPLZMPRVIICIG-GFCCVEGCSA-N	245.391	4.518	0	10	BJAE	
C[C@@H]([C@H](O)CCC=Cc1ccccc1)C(C)(C)C	1912123106	XHGCTBRXSISFLN-GOEBONIOSA-N	246.394	4.523	0	10	BJAE	
CC(C)CCCCC[C@H]1[C@@H](O)C[C@@H](C)C[C@H]1C	1916002497	UARYDCSWTIESRS-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@]1([C@H]2CCCC[C@@H]2C)C=CCCC1	1916570313	ZEVSNFZLRARNAH-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCCC1CC(C(=O)CCC[C@H]2CC2(C)C)C1	1921280238	OPWJHNCBJJWZDV-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C1CCCCC1	1924078019	JMEXSONITBMSFR-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](NC[C@@H]1C=CCCCC1)c1cccs1	1925917562	MYZZXBYLIGJPKH-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
CC(=Cc1sccc1Cl)c1cccc(N)c1	1936002005	IOKKCGDRXBLBBV-UHFFFAOYSA-N	249.766	4.544	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(CC2(C)CCCCC2)C1	1940408151	SDLRICWHUGLXAB-MIFYACCESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C(C)(CC)CC	1940790441	NLLCMEAXJBDXIR-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](N)CC(C)(C)C(C)C	1941262314	CHNCFGBNDSFWCS-LSDHHAIUSA-N	241.463	4.704	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCCC2CCC2)CC1	1941460848	DEXAEGWTNWCBAG-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC1CCC=CCC1	1941824725	BTCUJDJNVRMXQO-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CC(=O)c1ccc(C2CC2)cc1	1941956653	FSQPGQKTPGFTLP-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCNC[C@@H](CC(C)C)[C@@H](C)CCC(C)C	1942656962	NDAOXAFHDFQNCD-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CCC(C)(C)C2)CC1	1945580724	AIVFAPHTCWLQHF-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCCC(=O)C12CCC(CC1)C2(C)C	1945634837	PAPWZYMUVKHLTP-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](C)CC1(O)CC(C2CCCCC2)C1	1945953510	SXAYKBOPXASYJU-JEYLPNPQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC(C)(C)F)NCC	1947085190	WXCGPTOPEFLNDH-KBPBESRZSA-N	245.426	4.709	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CC1CCC(C)CC1	1947514792	ILPRUWQLQHPQTC-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC(F)(F)CC)C[C@H](C)CC	1947893024	UYDUDMJFYGMAAA-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)[C@@H](C)CC(C)C	1948327339	OIMSSCLZGBFQJM-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1CCCC[C@@H]1CC	1948864666	PLAKMOCXULUHCE-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](N)CC1C[C@H](C)C[C@@H](C)C1	1949064081	RGVNHXSQJCHLNP-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC[C@H]([C@H]2CCCCCCCC[C@H]2O)C1	1949400213	UCRLIXZZEHXSOU-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](CNC2CCCCC2)CC1	1950921292	DPVAMRMQCODUON-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@H]1CCC[C@@H](C)CC1	1950931374	WLSCFSZCGQNQLK-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
Clc1ccc2oc(C3CC=CC3)cc2c1	1962072158	FIKFQFBDXUWGSA-UHFFFAOYSA-N	218.683	4.520	0	10	BJAE	
Cc1ccc2[nH]c3c(c2c1)CCCCCCCC3	1962723882	ZIMJIYRCYUARAF-UHFFFAOYSA-N	241.378	4.916	0	10	BJAE	
CCCc1ccccc1CN[C@H](C)C(C)(C)CC	1966379110	LBZKOQOKJQWNOY-CQSZACIVSA-N	247.426	4.553	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1)C1CCCCC1	1968252084	MRSCFEDRWDEOGN-MRXNPFEDSA-N	231.383	4.766	0	10	BJAE	
CC(C)c1ccc(CN(C)C[C@@H](C)C(C)C)cc1	1968377065	KHDOGISGPNWXJK-OAHLLOKOSA-N	247.426	4.534	0	10	BJAE	
CCC1CCC(CN(C)c2ccccc2C)CC1	1968566653	OLKMBOOSUGOEOV-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CC[C@H](C)C1	1968597653	NYVCZTGNDROAHC-WFASDCNBSA-N	231.383	4.719	0	10	BJAE	
C1CCC2(CC1)CCC[C@H](NCC1CCCC1)C2	1968827540	JEKLRVBCDHLMKG-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC(C)Sc1ccccc1NC1CCCC1	1970344485	UGUZEPBWYWXSPC-UHFFFAOYSA-N	235.396	4.542	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1N[C@H]1CCCC2(CCC2)C1	1970484928	AIMSYNBDAOKPON-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](CNc2cccc(C3CCC3)c2)C1	1971535783	XCIRMBVBVMAWBA-ZIAGYGMSSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CC3(CCCCC3)C2)C1	1972428470	LCIKAKNZZPRBRW-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
C[C@H](N[C@H](C)C1CCCCC1)C12CCC(CC1)C2	1973849705	RZKGMPPLMZLFGA-JFBXJRRNSA-N	249.442	4.514	0	10	BJAE	
CCc1csc([C@@H]2CCC[C@@H](CC)CC2)n1	1976348278	AXZOCIQXMQALSW-VXGBXAGGSA-N	237.412	4.779	0	10	BJAE	
CC(C)CCC[C@H]1CCC(C)(C)CCC1=O	1984462564	PUNDCYKGINBNKT-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCCC(C)(C)C1	1984575694	PZIQDNODQYHILP-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1ccc(C)s1	1995215676	XXYBEVAZAPPFBH-LLVKDONJSA-N	238.396	4.846	0	10	BJAE	
CCC(C)(C)CCN(C)CCCCCC1CC1	1995781856	DJODFPNRESMPCO-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
C[C@@H](C[C@@](C)(N)C1(C)CCCCC1)C1CCC1	1995976088	UBXGOBODDYWSPO-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@@H](C)C1(C)CCCCC1	1995985660	LDMYIOUZPNMQAS-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CC[C@@H](N[C@]2(C)CCCCC2(C)C)C1	1997430292	WKIHGPXDIQUCBR-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)CC(C)(C)C	1999991815	SFAAALWXXUGTAW-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@@H]1CCC=CCCC1	2000006729	NRPRMELPLGNNTQ-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CN[C@H](CCCC(C)C)CCC1=CCCCC1	2000249792	PJVVPVVJGWBKCP-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1[C@H]2CCCCC[C@H]21	2002208157	CYULOFARUVRFLF-QDMKHBRRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]1[C@@H](CCCCCC(C)C)CC[C@H]1C	2002877154	OXWRJFBTZPQZDH-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1CC[C@H](C)CC1	2003067629	WUMWHSZCVWEYJF-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC2(CC2)C1)C(C)(C)C	2003213422	FHQYUZAJZVCYOJ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@@H]1CCCC2(CC2)C1	2003220290	GTFQMWBCUWFYSP-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@H]2CC[C@@H]21	2004806079	IYKBBHASTKVQSI-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C1CCC1)C1(C)CCCCCCC1	2004922123	DJXQDYMLMQPOLL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@]1(CNC(C)(C)C)CCCC12CC2	2005561533	PMVBKEAOWYDKMX-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C=CC=CCCC(=O)C1(C)CCC(C)(C)CC1	2007683712	UGOPZQJKXUAMQW-UHFFFAOYSA-N	234.383	4.684	0	10	BJAE	
Cc1csc(C)c1C(=O)C1(C2CC2)CCCC1	2008483907	UVHUZGUMKUXWLY-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCCCC2)[C@H](N)CC1	2009404477	NUUOTZCJNQCXRR-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H]1CC[C@H](C)CC[C@H]1CCCC(C)(C)C	2009409204	ZMHMWCMNRFAPIM-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H](NCC)C1CCC(C)CC1	2009596766	VGRFOUBZYBXQKY-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H]1CCC(C)(C)[C@@H](NCC)C1	2009619614	NEVLEFLJZOHQMO-CJKAQPIMSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCC(C)(C)C2)C1	2009715286	CCIZIUAVDSZLGF-SHARSMKWSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCC[C@@H](O)C1=CC[C@@H](C(C)C)CC1	2010716008	CXWITUCYDWPDPU-GDBMZVCRSA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](NCC)CC2(CCC2)C1	2012067028	ZMFAKPPECXKUDP-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@@](CC)(CNC1CC1)C(C)C	2012409227	GSNDLKDHNZLHHQ-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC1CCC=CCC1	2013296679	NEWPCVQDWJWDPG-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC(C)C(CC1(N)CCC(C)(C)CC1)C(C)C	2015396788	GEEIKVICMJRQMJ-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C)cc(OCC2(C(C)C)CCC2)c1	2017124222	FNLNQSPPRSHSNV-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)C1(C(C)(C)C)CCC1	2017133444	RRUUHPVIWMKSMZ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@H](C)C2)CC1	2017720118	FOGJRXOCIFASKX-LBDPXKHJSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@@](C)(CC)CC1CCC(CC)CC1	2017722307	FHBLTDFLSUJSRD-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(C[C@H](C(C)C)[C@@H](C)N)CC1	2017730307	GLKKBOJJYCVERT-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CC[C@H]1CCNC2(CCCCC2)C1	2018646642	YDNHTKBFLSCPEA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CN(C)[C@H](C)[C@H]1CCC[C@@H](C)C1	2019285691	NVJPBWZJSURHIO-QXSJWSMHSA-N	239.447	4.569	0	10	BJAE	
CCCC1CCC(N(C)[C@H](C)CC(C)C)CC1	2019296719	AMSLLPHSBQVCBT-QQFBHYJXSA-N	239.447	4.712	0	10	BJAE	
CC[C@H](C)CN(CC)C[C@H]1CC[C@H](CC)CC1	2019479514	CHMOROJLBICDNR-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccccc1C1CC1	2021025889	FILRMWLOKRUKFS-LBPRGKRZSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@H]1C[C@@H]1CCC	2022390660	KZOPNNAMXGMSOU-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CCCC(C)(C)C1)C1CC1	2024100590	DMTXFCWDVPTFMP-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@H]1CC(C)(C)CC[C@@H]1NCC	2024115481	FNMPZLMHPKJSOD-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@H]1CCCC(C)(C)C1	2024124680	OFNKHWLBONUWNL-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CC=CCCCc1cccc2c1CC(C)(C)C2	2024790775	YUIIBEDGHZRMQJ-UHFFFAOYSA-N	228.379	4.710	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CCCCF)NCC	2026164558	UOWHMKUQXSRUPG-GJZGRUSLSA-N	245.426	4.711	0	10	BJAE	
CCc1coc2c(-c3ccccc3)cccc12	2026526769	LBEWTPKTMOJSDJ-UHFFFAOYSA-N	222.287	4.662	0	10	BJAE	
c1sc([C@@H]2CC23CC3)nc1C1CCCCCC1	2026607233	NLCLMPDFWQCKKZ-LBPRGKRZSA-N	247.407	4.848	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CC[C@H]1CC1(C)C	2027811373	BHURBLLYDAZYGE-BBRMVZONSA-N	245.410	4.636	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)c1cccc(C)c1C	2027837550	RUBZKSVAEBGVEM-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CCC[C@@H]1CC1(C)C	2027844429	ZPBKWPSTDWFYJZ-HUUCEWRRSA-N	246.394	4.553	0	10	BJAE	
N[C@@H](CC1CCCCC1)c1ccc(C2CC2)cc1	2028611743	YKQCOQNGMVOIAT-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)C1CCCCCC1	2028898564	VEMASOXQWGRRKA-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CNCC2(C3CCCCC3)CC2)CC1	2029736586	SQHSWTOJYYRHBW-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](c1ccccc1)C(C)C	2029966680	LHUMFTRBNLYQQZ-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2C[C@@H](C)C[C@@H](C)C2)c(C)o1	2031799775	BZDAPYRTASTGAE-YABSGUDNSA-N	248.366	4.542	0	10	BJAE	
CCN[C@H](c1ccco1)C(C)(C)C1CCCCC1	2032341258	JFFNTRRJXNDKJL-OAHLLOKOSA-N	249.398	4.537	0	10	BJAE	
CC(C)(C(=O)CC1[C@H]2CCC[C@H]12)C1CCCCC1	2032797102	ZSBYYVDNSOVPLW-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@@H]1C=CCC1	2035587273	BLCRUFQJCSYEBL-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@H]3CCC[C@H]32)CCCC1	2035884450	APRQINSYVUTVTM-DJIMGWMZSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)C1CC(C)(CC)C1	2036475965	OYXYTJPFLBCQMV-KZYLPZIUSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@H](N[C@H]1CC[C@H](C)CC1)C2	2036664575	LDANCKQLINLHMA-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CC[C@](N)(c1cccc(C)c1)C1CCCCCC1	2037101283	XOYLFRUYEDTZRF-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CCN[C@@H](C1CCCC1)[C@H]1CCC2(CCCC2)C1	2037589559	GBICYSFVQPOFKI-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](N2CCC[C@@H]2C2CCCCC2)C1	2037671201	BVJZABBJUUQNMV-HZPDHXFCSA-N	249.442	4.610	0	10	BJAE	
CCCNC[C@]1([C@H]2CCC(C)(C)C2)CC=CCC1	2037683179	QRWRSVFGLSIYQD-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](N)[C@@H]1CCC2(CCCC2)C1	2037684836	CANSOFFZIVHEQC-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
c1cc(NC2C[C@H]3CCC[C@@H]3C2)cc(C2CC2)c1	2038612122	XIZZNHVGZDHGKM-HUUCEWRRSA-N	241.378	4.555	0	10	BJAE	
CC(C)[C@@H](N[C@@H]1CCCC2(CCC2)C1)C1CCC1	2041288633	AXVKYQOBJWNALV-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)[C@]1(C)CC=CCC1	2042019780	QZLHNAUQOZWJQK-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
NC1(C[C@@H]2CCC=CCCC2)CCC2(CC1)CC2	2045308512	UVCFDXQRPUVKPV-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCC=CCCC2)c(C)o1	2045310168	MZKPGNRSKIKUDA-AWEZNQCLSA-N	246.350	4.606	0	10	BJAE	
CN[C@@H](C[C@H]1CCC=CCCC1)C1CCCCC1	2045324735	YJUYGZAYHWBINX-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](c2cccc3c2CCCN3)C1	2045509589	ZWRKSRPTMDKYMG-ZDUSSCGKSA-N	243.394	4.729	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CC2)C1(CCC)CCC1	2045817028	YPFPRKQEPDUTFS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@H]1CC12CCCC2	2047031672	ZHZPMRXDIFVPTJ-OFQRWUPVSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@H]1[C@H]2CCCCC[C@H]21	2048444605	GJOJAKRQHCEUEZ-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCC1)[C@@H]1CCCC(C)(C)C1	2049490749	SDMVUGXIADOCOY-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)CC1CCC2(CC1)CC2	2049851596	AGJJWJBBKOUSLK-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CC(=O)c1cccc(C)c1	2050455695	IJSIKHHBWAZASI-GJZGRUSLSA-N	244.378	4.784	0	10	BJAE	
C1CCCCC(N[C@@H]2CCC[C@H]3CC[C@@H]32)CCC1	2052281898	UYZIIXHSNPCDAS-BHYGNILZSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@H]1[C@@H](Nc2ccc(CF)cc2)CC[C@H]1C	2055668259	TZZGTKCGYRSMBU-UHOFOFEASA-N	249.373	4.639	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@@H]2CCCC=C2C)CC1	2055670506	WYWMPWHNALAYTN-RDHHWEPZSA-N	249.442	4.680	0	10	BJAE	
CC1(CC[C@]2(CNC(C)(C)C)CC=CCC2)CC1	2059174146	VKJIZZMRBZZORR-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CC(C)(C)C1)C1=CC[C@@H](C)CC1	2060927495	YFRLTAQKAKXIPR-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)[C@H]2CCCC[C@H]2C)CC1	2061116545	QWGAOZYZIHSHIJ-TXCZRRACSA-N	249.442	4.523	0	10	BJAE	
CCC1(C)CCC(NCC[C@]23CCC[C@@H]2C3)CC1	2061575149	PBZDXKPOQTWIGY-VXLLPVPCSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC2CC(=C3CCC3)C2)CC1	2061700681	CNXSVDLERUPMFU-NNUKFRKNSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063490167	IUFLUCCLXVAJPT-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063514701	CLTKWRKQLCUABB-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CNC12CCCC1CCC2)C1CCCCC1	2063903504	UXBMFXIVFQOKDG-ODIFPOPNSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)NCc1cccc(C)c1C	2066079026	QRNZZMVZMFGNIZ-QGZVFWFLSA-N	247.426	4.608	0	10	BJAE	
CCCC1(CC(=O)CC(C2CC2)C2CC2)CCC1	2069278500	JOMMGQPPEWIHMX-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC1(CC(=O)c2c(C)oc(C)c2C)CCC1	2069282591	LYNTYHYIAPOSAF-UHFFFAOYSA-N	248.366	4.748	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@]2(C)C=CCCC2)CC1	2072875087	KEKGDEBAPPPPSQ-ZOBUZTSGSA-N	248.410	4.908	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC12CCC2)CC1(CC)CC1	2074653133	KXWALXNHGIGAKE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(CC)c1NC[C@@H]1C[C@@H]1C(C)C	2079619752	NAJUCMNHNQILDN-JKSUJKDBSA-N	245.410	4.515	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@H]1C[C@@H]1C(C)(C)C	2079820536	RHZMTOPLVNYTBP-GJZGRUSLSA-N	241.378	4.632	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@H]2C2CCCC2)C1	2079864329	MGGFKYYIEPRVEV-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)C[C@@H](C)C(C)(C)C)c1	2082926178	RPGDIDJABOEUFD-CJNGLKHVSA-N	247.426	4.684	0	10	BJAE	
CC1(C)CC(CN[C@@]2(C)C=CCC2)CC(C)(C)C1	2082980483	VUBJAYNXAHIONG-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](CC=Cc2ccccc2)C1	2210661545	AQRAQJNWWMQUEG-GDBMZVCRSA-N	214.352	4.916	0	10	BJAE	
C[C@@H]1CC[C@H](CCC=Cc2ccccc2)C1	2210663079	XGXRKZNWLFCTHD-ZBFHGGJFSA-N	214.352	4.916	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@H](N)C1CCCCC1	2214777679	PRMRLBPKHMMBIO-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@@H](N)C1(C)CCCCCCC1	2214961877	SEQHKFKWUDLGDQ-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@]1(CN[C@H](C)CC)C=CCCC1	2217125112	MTVYSGRAHAVTEY-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)C[C@H](CN[C@@H](C)CC)CC(C)C	2217127803	XTHJUFOYFWXVTE-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CC(=O)c1ccc(SC2CCCCC2)c(C)c1	2217345391	HHXMIEYNWWPSBO-UHFFFAOYSA-N	248.391	4.622	0	10	BJAE	
C[C@]1([C@H](N)CCCCCCC2CC2)C=CCCC1	2218735892	SKOQYGHWSQIJOB-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)C1(C)CCC2(CC2)CC1	2220882092	WBONULUJVIGFNL-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@]1(C)CC=C(C)CC1	2221630546	JMECNJXAFISJKC-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CCC1(N)CC(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2222969733	FOAGOVARAIOIAH-TXOGFHGLSA-N	249.442	4.501	0	10	BJAE	
C(CCCN[C@H]1[C@H]2CCCC[C@H]21)CCCC1CC1	2223123829	XNNWONTUWFQTRH-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CCNC2(CC2)C1	2223130183	KBSHQECWHXMOER-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@H](C)c1ccc(C)cc1	2223968424	PYISVZHSFUUKDD-ZBFHGGJFSA-N	247.426	4.513	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCc2cc(C)ccc2N1	2224120199	JRVCVBMMQMSANK-OAHLLOKOSA-N	245.410	4.938	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCCC[C@H]1C[C@@H]1C	2247117936	UIDVBXVQYPCXPD-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C(C)(C)C(C)(C)C	2247118061	UURGGAHFMOWRFU-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2=CCCCC2)CC1	2247455029	IEKVWYNLQXJGQL-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
C[C@H]1CCC[C@H](NC(C(C)(C)C)C(C)(C)C)C1	2247718093	MRRDASBSFDRMPK-STQMWFEESA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@@H](C)Nc1cc(C2CC2)ccc1F	2250104278	KKKGIYLPDBIDBW-LLVKDONJSA-N	235.346	4.550	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC1(C)CC2(CCC2)C1	2250371258	KQUXOHWSDAESGX-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@@H](O)CC[C@@H](C)CCCC(C)C	2250477998	DKFAVFLCQUZFAU-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)[C@H]1CCCN1	2250528844	OKPONNZKXVNWDZ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC1CC(CC[C@@H](N)C(C)(C)C)C1	2251502675	OGKMBHMKKGTZCZ-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CC1(C)CC(C)C1)[C@@]1(C)CC=C(C)CC1	2253769888	FQXQNFSJESIATI-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CCCC(C)(C)Nc1ccc2cccc(C)c2n1	2253779958	CDMOTZBXPAWABM-UHFFFAOYSA-N	242.366	4.534	0	10	BJAE	
O=C(CCC[C@@H]1CCCCC12CC2)c1ccco1	2253806765	JODUGQRYIVUVJE-ZDUSSCGKSA-N	246.350	4.603	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2CC3(CCCC3)C2)C1	2254081525	CILSCIHRCJUDGK-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21	2254586938	YSKZPSUYRFSBJC-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CC[C@@H]2CCCC[C@@H]2N1	2254605499	MYPXATFWOUFIPA-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
O=C(C[C@@H]1CCC12CCC2)C1CCCCCCC1	2255017226	LVSIYTVAUMSTGM-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCCC1([C@H](CC2=CCCCC2)NCC)CCC1	2255144630	XBAXAJROTBVEMQ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC[C@H]2CCCC23CC3)CC1	2255256294	NYFWEIXQLDNBPT-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
CCC1([C@@H](CC[C@@H]2CCCC23CC3)NC)CCC1	2255279667	BEHAIFWCDVUTLL-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCC[C@@H](CC)C1	2256116334	YAIYUJVGZSQBLE-OCCSQVGLSA-N	249.373	4.769	0	10	BJAE	
CCC[C@H](Nc1cc(C)c(C)c(C)c1)C1CCC1	2258237132	KZLSJARNJFTFAV-KRWDZBQOSA-N	245.410	4.993	0	10	BJAE	
Cc1ccc(NCC2CC3(CC(C)C3)C2)cc1C	2259574231	QERCRELJLCHOGG-UHFFFAOYSA-N	243.394	4.542	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)c1ccccc1	2259622791	AKVOECNTWHYNBS-DOTOQJQBSA-N	247.426	4.929	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@]23CCC[C@@H]2CC3)CC1	2260537760	KYMVZQLAOXIIEW-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C(=O)C[C@@]23CCCC[C@H]2CC3)CCC1	2260585306	ADKMRVYESRRVQC-YOEHRIQHSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)C[C@]12CCCC[C@@H]1CC2	2260646552	MKCQHLSVZYAVBK-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(N)(C[C@@]23CCC[C@H]2CC3)CC1(C)C	2260648590	SKPLHXZIHSZYNU-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)c1cccc(C2CCCC2)c1	2260725086	KOCYCIRDKKNOAU-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CC1CC(CCC(=O)c2cccc(C(C)C)c2)C1	2261504082	RJDAXCYQFXLNLR-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCC(CC)CC[C@H](O)C1C[C@@H](C)C[C@H](C)C1	2300687111	YOOPESWOICSJCN-XEZPLFJOSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H](CC)CC[C@H]1CN	2300702178	VSJCIEGCOKYGHF-XHSDSOJGSA-N	239.447	4.604	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC(C)(C)C)CC1(C)C	2300860269	FPCSQSRXRKTQFY-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCNCC[C@H](C)CC=C(C)CCCC(C)C	2300885692	LCUGVGIVLOHIEO-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CCC(C)=CCC1(O)CCC(C(C)(C)C)CC1	2300898427	DLSYZYTUYVEUGF-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CCC1CCCC1	2300908431	DDKYYMMDONUBFM-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@@H](C)C(C)(C)C	2301141197	WUKRZUNLJBOGND-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301143845	XRTMPWKMWHGKJR-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(N)([C@@H](C)[C@@H](C)C(C)C)CC1	2301963871	GBTULOWMUAVKER-FXQLRMTLSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)c1ccc(OC)c2ccccc12	2302225141	QAKFISRNDXVGIG-UHFFFAOYSA-N	228.335	4.752	0	10	BJAE	
CC(C)CCCCCNCCCC[C@@H]1C[C@@H]1C	2302488686	CROFYKZXJLHNFN-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C[C@H](C)C2CC2)CC1	2303577171	GAEOEKIESCIXKL-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@@H](CCCC2(O)CCCCC2)C1	2304431521	LXLVIQBMWORKSX-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC)CCCC[C@@H]1C	2307894302	QWKCVPGEQGNREW-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC(C[C@@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2308401151	SEYMWKVHVUILCZ-USXIJHARSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1	2309163313	CYUDZTKWHVEYEA-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H]1N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309184141	ARXUHQVYVMPVOC-SMLCLMEVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC[C@@H]1C[C@H]1C1CC1	2311256021	BUTLRNGZVRSZLC-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@](N)(C[C@@]23CCCC[C@@H]2CC3)[C@H](C)C1	2313346331	JUUGGJVLJFNAQC-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CC1)N1CCCC[C@H]1C1CCCCC1	2313601164	WVRSASLRZAPMCK-PBHICJAKSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCNCC1=CC=C(C)CCCC(C)C	2316534689	CDHSGURAVNPEOM-MRXNPFEDSA-N	249.442	4.705	0	10	BJAE	
CC(=CC[C@@H](N)[C@@H]1CC12CCC2)CCCC(C)C	2316570617	LAVREHSQRDLQLC-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
CCNC[C@@]1(CC2CCCCCC2)CC12CCC2	2316936232	AJYXGRTUAACAKI-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)[C@@H]1CC12CCCC2	2318575223	CHTLERGIQODXOS-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC(C)(C)C1)C1CC=CC1	2319031745	ULGWZXDPEVJCQK-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CCC3(CCCC3)C2)C1	2319032348	XKDUJNHODNDIAG-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2319131200	MNPNYOLZYJXYRE-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@@H]1CCC12CCC2	2320173372	MZHVEXKBSKTIOG-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](NC[C@@H](C)C2CCCCC2)CC1	2320238678	XGCROCKYECNIRU-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@@H]2CCCC[C@H]2C)CC1	2320336984	JMJLDIJMANRENN-MWQQHZPXSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2C(=O)C[C@H](C)C[C@@H]2C)CC1	2320347942	MGMQEQHTTRRWJH-CAPXZKIUSA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCC23CCC3)CC1	2320407028	WKGGEVBFKMFFNV-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)C1(CC)CC1	2320411584	FGPKIXUFDOCPPD-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2320415254	YUQYIHWETIJRBU-GFOFROLCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ncccc1C(C)C	2328100999	GKOFCHQYBSWFKF-CYBMUJFWSA-N	247.382	4.604	0	10	BJAE	
CCC[C@@H](CC)C[C@](N)(CC)c1ccc(C)cc1	2328193062	IYXWHZUCEITCLK-NVXWUHKLSA-N	247.426	4.775	0	10	BJAE	
CC[C@@H](C)CN[C@@H](C)c1ccc(C(C)(C)C)cc1	36921603	HBZYBHNKBKUBGN-KGLIPLIRSA-N	247.426	4.681	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)c2ccc(C)o2)c(C)c1	37763593	XRESBPFSLIUVHB-AWEZNQCLSA-N	243.350	4.686	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)C[C@H](C)CCC	71126986	GMGHOBUIKUDXQC-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H]1CCC[C@@H](CC)C1	71155694	GFFUIFSXEZGXAG-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCC[C@H](NC)C1	80412386	YJWRVSUZFIADHA-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](Nc1ccsc1)c1ccccc1	85528691	YLVWZUHFVLUUTQ-CQSZACIVSA-N	231.364	4.701	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H]1CCC[C@@H](CC)CC1	86909365	OHTITQHZKSEITL-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@](O)(CCC)c1ccccc1	87165714	POZZGQSEDPNKSB-MRXNPFEDSA-N	234.383	4.645	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1CCCCCCC1	87689969	AYPPAZGWSBCZSX-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cc(C)cc(F)c2)cc1	91509641	LRCYGXPDWHMPPB-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCC[C@@H]1CCC[C@H]([C@H](NCC)C(C)C)CC1	92599544	BCJYSEXNRCVZCS-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](NCCC)C1CC1	103949337	DQQLTZDMEABSCK-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H]2CCC[C@@H](C)C2)cc1	109710071	LRCFNIFBHGKTNW-CZUORRHYSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](CCC)Cc1ccc(C(C)C)cc1	109726925	BLBKXJAQUMEBRP-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CCCCC[C@H](C)Nc1c(C)cccc1CC	109899965	HMEQAIKVOSNHSE-AWEZNQCLSA-N	233.399	4.938	0	10	BJAE	
CCCC(CCC)N[C@@H](C)c1ccc(C)cc1C	109902629	QKANPEHDMJOZKU-HNNXBMFYSA-N	247.426	4.923	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Oc2cc(C)ccc2C)C1	130389839	LBDVFFNFFIPWHX-HUUCEWRRSA-N	232.367	4.651	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@H](C)CCC(C)C)c1	132433950	ALZBDKGLWVHMKM-CVEARBPZSA-N	247.426	4.779	0	10	BJAE	
CCC[C@@H]1CC[C@H](CNC(C)(C)C)[C@H](CC)C1	132549956	GANSOGJSCAIANL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)CCNCC(C)C	132765245	XWLKUEFGWPPOER-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H](C)C1CCCCC1	149407164	YFRFOKLXVIEVLU-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCC(CC)C[C@H](NC)c1c(C)cc(C)cc1C	229155477	GZGQGBGKWRGSCA-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC23CCCCC3)C1	230171747	UVAFBHVMBZBTQW-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCC(C)(CC)Nc1ccccc1C(F)(F)F	230962491	IAHNKAHHXNKQMP-UHFFFAOYSA-N	245.288	4.696	0	10	BJAE	
CC[C@@H](C)c1ccc2oc([C@@H](O)C(C)C)cc2c1	232359355	WMHJXMQUVBWJMI-BZNIZROVSA-N	246.350	4.636	0	10	BJAE	
CCCN[C@H](c1cscc1C)[C@@H](C)CCC	233132378	FFAMSYRRUBGPIX-FZMZJTMJSA-N	239.428	4.533	0	10	BJAE	
CCCc1ccc([C@H](C)NCC(C)(C)CC)cc1	233370303	DUKIDGLHJJWYMW-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
Cc1cccc2c([C@H]3CCC[C@H](C)C3)c[nH]c12	235729983	QDYBZLJSAMQHLL-AAEUAGOBSA-N	227.351	4.770	0	10	BJAE	
Clc1ccc2c(c1)Nc1ccsc1S2	238513945	ZUNIWDZZTBFAHV-UHFFFAOYSA-N	239.752	4.610	0	10	BJAE	
CCCCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1O	250810355	HFTHQCIQBWJGFB-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@H]2CCC[C@@H]2C)cc1	300285248	KNGQAGIEHYXFNX-PYTWLRIVSA-N	246.394	4.670	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CCC1CCCC1	300729972	FISRHTPPWLVGPR-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](C)CC1(CN)CCCCCCC1	302416743	TXYGUBONIJHPFG-HNNXBMFYSA-N	239.447	4.748	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)CC1CCCCCC1	304192631	VQYIDLNQXHAZHJ-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
Cc1cccc(N[C@H]2CCC23CCCCC3)c1F	306025107	UYFXMOPOGSXJPM-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
Cc1sc2cccc(Cl)c2c1C(F)F	306919013	JNVBGBMDHCTDQY-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CSc1ccc(C)c2cc(Cl)sc12	307421250	MMBDHJDPMHCIEU-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H](CC)CC(C)C	308106482	VWTRQHWUCQEHEN-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)C(C)(C)CN[C@H]1C=CCCCCC1	310360970	UFXDPKZYRYLQEU-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](N[C@@H]1CC2CCC1CC2)C1CCCC1	313450216	VDUVOMUUWJOQCA-OKEQZYBDSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@]1(C[C@H](C)CC)CCC[C@@H](CC)C1	317068891	GGIYKEIWUUEEBP-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H](C)[C@H](C)CC	319652108	RPGZKHFEWJZQCU-KFWWJZLASA-N	227.436	4.617	0	10	BJAE	
CC[C@H](Nc1cccc2ccsc12)[C@H]1C[C@H]1C	322076763	UCQGLKRBCXCKMN-WXHSDQCUSA-N	245.391	4.748	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](CC)C1CCC1	322578749	UHZALDJIRGOUFQ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CC/C=C\c1ccccc1)CC(C)(C)C	324299316	QDTXKVAAVITFCA-IYCSXQJISA-N	245.410	4.504	0	10	BJAE	
CC(C)[C@@H](N[C@H]1CCCC12CCCC2)C1CCC1	324909388	JGGOWKWFEWLCOG-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1[C@@H](N)C(C(C)C)C(C)C	384636763	KXIHEWKHVMAHCH-QGZVFWFLSA-N	247.426	4.567	0	10	BJAE	
CCN[C@@H](C)c1ccc(C2=CC[C@H](C)CC2)cc1	384987732	PDSYNAXALTUMMB-KBPBESRZSA-N	243.394	4.561	0	10	BJAE	
CCc1ccccc1OCC1CCC(C)(C)CC1	385283827	MBZGVSRLXKCJPZ-UHFFFAOYSA-N	246.394	4.844	0	10	BJAE	
CCC[C@@H](NCC1(C)CCCCCC1)C1CC1	394584937	FTGYIDAQUFDIAP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CCCC[C@H]1C	395131610	GCTHIBICCQKFFO-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CSc1c(C(F)F)ccc2scc(C)c12	396410779	SDCRZKPSMYLXFI-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC(C)(C)c1ccccc1[C@@H](O)CCC1CCC1	398567190	GTVIFRWNBHFTKO-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CCCC1CCC(N)(C[C@H](C)C2CCC2)CC1	398888810	DBYNWPVHRUVVQI-HLIUYOAVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC)CC(C)(C)C(F)(F)CC	691040780	PLXGRXCZUFNXFN-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCCCC[C@H](N)c1cccc(C(C)(C)C)c1	691649830	GGTXFHKUGSJXHP-INIZCTEOSA-N	247.426	4.954	0	10	BJAE	
CCCNCC1(CC2CC=CC2)CCC(C)CC1	692154267	HVEOCVJRMBMALI-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@]23CCCC[C@@H]2C3)cc1	693275437	UNQXYSTUSLLMMK-WBVHZDCISA-N	242.362	4.573	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)c1ccc(C)s1	695097947	IWBLJQFLGRJJHP-RYUDHWBXSA-N	239.428	4.532	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)CC1CCCCC1	695146020	HYFUYQKWUYEPDC-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
Cc1cccc(NC2CCC3(CC2)CC3)c1Cl	696008731	FMGYUNUQAKVZAX-UHFFFAOYSA-N	249.785	4.783	0	10	BJAE	
CCC(C)(C)CC[C@@H](C)[C@H](O)c1ccccc1	696779119	CUSOLBFMRHHYMM-HIFRSBDPSA-N	234.383	4.573	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CCC1CCCC1	697755630	KLAWMZJYQKAJSV-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1csc2ccccc12	701060711	RRSIHXZKPDGUGR-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CNC(C)C)C[C@@H]1C	703334667	YSOHUGDWTJMVLG-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCNc1ccc2ncsc2c1	703951741	AYXDKJJFQMLPNT-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)c1ccsc1	704852037	PRNBJHFCBRVZAJ-GXTWGEPZSA-N	239.428	4.529	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](O)CC1CCCCCC1	704855901	DWTJDOVAJUBNMO-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
Cc1cscc1NC[C@@H](C)CC(C)(C)C	709085373	SWVDUMFTPAHLNT-JTQLQIEISA-N	225.401	4.541	0	10	BJAE	
CCC1([C@@H](O)C[C@H](C)CC(C)(C)C)CCCC1	709121658	DVSAOPKRZRWSCW-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
C[C@H](NCCCC1CCCC1)[C@]12CCCC[C@@H]1C2	709151669	NDEXUPHSISESNT-USXIJHARSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(O)CCCCC[C@H]1C(C)C	709209266	CHLUUHYNACYPRL-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CC(=O)C1CC2(CCC2)C1)CC(C)(C)C	709213829	SKKONDQOLJOQSO-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](N)(C[C@H](C)C(C)(C)C)C1CCCC1	710718185	DXWPXTJNYGEKSH-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC1(CNC(C)(C)C)CCC1)C(C)(C)C	711160991	XAFYMFGREFPOCA-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)CC(C)(C)C(C)C)c(C)c1	713366704	UXRDZQKFNALJBT-UHFFFAOYSA-N	232.367	4.558	0	10	BJAE	
C=C/C=C/CC[C@@H](CC(C)(C)C1CC1)NCCC	713698207	WSDRWHXSMMPJHX-WAVCKPEOSA-N	249.442	4.703	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCCC(C)(F)F	718691604	QLQKGAFEPIKOAT-LBPRGKRZSA-N	248.357	4.843	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1ccc(C2CCC2)cc1	721701182	DADNAMPFKUNALF-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CC(C)c1ccc(C(C)(C)C)cc1OCC1CC1	725385927	WCOIUTKVUOGOAD-UHFFFAOYSA-N	246.394	4.896	0	10	BJAE	
C1CCC([C@@H](CNC2CC2)CC2CCCC2)CC1	829254451	JDZZKJKOBIBHHV-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1CS[C@H](C)CC(C)C	1613181496	IFDINDWIEIBNSB-CYBMUJFWSA-N	222.397	4.663	0	10	BJAE	
Cc1ccccc1S[C@@H](C)c1ccccc1	1640873143	BVPXSFFGKGQPLH-ZDUSSCGKSA-N	228.360	4.848	0	10	BJAE	
C/C(=C\Cl)CSCCCc1ccsc1	1641086902	LPHDYOQDVDMTDM-JXMROGBWSA-N	246.828	4.557	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCC[C@H](C(C)C)C1	1651487312	YNGJHTMNDIGHML-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)CCC(C)C	1659253712	ICIYDCGMFGHCCP-CABCVRRESA-N	225.420	4.536	0	10	BJAE	
CCC[C@H](NC[C@@H]1CCC=CCCC1)C1CCC1	1665881243	SSFKMVHFYZOIOI-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)CC(C)=CCCNCC	1884963627	GTDKZZMPCMRJRC-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
Cc1cc(-c2sccc2C2CC2)cs1	1889510488	RZDJSCZJVIHYSH-UHFFFAOYSA-N	220.362	4.662	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1CCC(C)(C)C1	1902272676	WMSCQSIJKJTAAR-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1C[C@H]1C1CCC1	1910581476	FYMZVQFTBAGSOA-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCCCC(C)(C)CC(F)(F)F	1911778628	QEMTVFQVIHERQI-UHFFFAOYSA-N	220.278	4.878	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)C1CC(CCC)C1	1921273327	ROEJRWVUNVVGLQ-ZGRYLRDCSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(C(=O)c2c(C)cc(C)cc2C)C1	1921296567	DFGPCCVZLYIWBP-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CC[C@H](NC[C@@H]1CCCC12CCC2)C1CCCC1	1921625869	WNNVXEZENZCDIE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)[C@H]1CCC[C@@H](C)C1	1925947096	YIXQVIIJZXDVIE-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC(CC)CC)c1cccc(CC)c1	1926385436	WOPVBAXRMSRAJS-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCCC(=O)CC[C@@H](CC)CCCC	1933336528	SHCNODNGBHLBMT-ZDUSSCGKSA-N	212.377	4.742	0	10	BJAE	
Cc1sc(Cl)cc1C(=O)[C@H](C)C(C)(C)C	1933566492	WNOQCZYIFMAPGG-ZETCQYMHSA-N	244.787	4.575	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@@H](C)CCC(C)C	1937163053	JGMRRZLTMUSLFE-ZFWWWQNUSA-N	227.436	4.602	0	10	BJAE	
CCc1cscc1[C@@H](N)CCCC(C)(C)C	1938820653	UYHZOKVHZYUVQP-ZDUSSCGKSA-N	239.428	4.527	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@@H]3CCC[C@H]32)cc1Cl	1940414677	USELTVZBVDWFCM-NJZAAPMLSA-N	249.785	4.503	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@H](C)C1CC1)NCC	1940722953	NFTZKTSEBPOMCM-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC[C@H]1CC1(C)C	1940853423	NZLPOZPIMYOCLU-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)[C@H]1CCCC[C@@H]1CC	1941249916	CMAIABMLKBYMMH-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H](CC)C(C)C	1941262604	HLTVUTHSEWWKQC-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1CCC[C@H]1C	1944842341	JFAIFOMTYPUPAF-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CC[C@H]2CC[C@H]1C2	1947123864	NRGVHLZYGLICNG-DYEKYZERSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](CC)C1CCCC1	1947460279	KDOKNHRVKUOHKD-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](N[C@H]1CCC[C@H]1CCC)C1CCC1	1947461998	MZHPNDXNEKHCEL-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
C1=C[C@@H](CC[C@H]2CCCc3ccccc32)CC1	1947553385	XPZZQMAWYDZJAT-GDBMZVCRSA-N	226.363	4.853	0	10	BJAE	
CC[C@H](C)[C@H](C)NC1CCCCCCCCC1	1947881621	QWLYDJAPAXUKDE-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)NCCC1=CCCCC1	1948326699	MMZPCONBIITYBO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC[C@]1(N)C[C@@H](C)CC[C@H]1C(C)C	1949024433	KQABSUAYUSQFND-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)CC[C@@H](O)[C@@H]1CCC2(CCCC2)C1	1949398452	GJGMNHORZHWYRY-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]([C@@](C)(N)CC2CCCCC2)C1	1949436664	XTGABIUSQXHWLV-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@@H]2CCC(C)(C)C2)CC1	1949453075	NOBWKJSHOHBJQP-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)C[C@H](CC1CCCCC1)NC	1949920235	YNTCBPMZDSADBG-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC(=O)[C@H]1CCCC(F)(F)CC1	1950011736	LJAOSJMOBNWEJY-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC=C[C@@H](C)Cc1ccc(OCCC)c(C)c1C	1951305254	BJXFZZIOOMZQKH-CYBMUJFWSA-N	246.394	4.847	0	10	BJAE	
CCC[C@H](C)CN(C)C[C@H]1CCCC(C)(C)C1	1964614689	LZNSAXLSUIQGSZ-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@@H](CC)CN1c2ccccc2C[C@H]1C	1968232584	KGUAWOQILUEHHG-HUUCEWRRSA-N	245.410	4.654	0	10	BJAE	
C[C@H]1CC[C@@H](COc2ccc(C(C)(C)C)cc2)C1	1968299573	WIABWKPSVSFKIR-UONOGXRCSA-N	246.394	4.799	0	10	BJAE	
CCCC[C@@H](CC)CN(C)Cc1ccccc1C	1968376532	BDGNBFMXVAEAPY-MRXNPFEDSA-N	247.426	4.643	0	10	BJAE	
CC[C@@H](Nc1ccc(F)c(C)c1)C1CCCCC1	1968591992	QGCPYFQMQMRTDK-MRXNPFEDSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC(CC1CC1)CC1CC1	1968858764	GBTONCJJCGDYAR-NVXWUHKLSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CN(C)[C@H]1CCCCC1(C)C)C(C)(C)C	1970181992	VBLSREHCXIYVTE-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCC2CC3(CCC3)C2)C1	1973745272	UXZGWRMVSXGLMB-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCCC12CCC(CC1)C2	1973945382	IFEMLXWVDCOGMY-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](CCC(=O)C(C)(C)C)C1	1978381805	FWKJLYBLYOULRC-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
Cc1cscc1NC1CCCCCCCC1	1980337285	SJDKKKXVOZQMMY-UHFFFAOYSA-N	237.412	4.971	0	10	BJAE	
CCCCCCC1(O)CCCCCCCC1	1980350552	HNYQTEOWBNWWLG-UHFFFAOYSA-N	226.404	4.822	0	10	BJAE	
CCC(CC)C[C@H]1CCCCCCC[C@H]1N	1980351305	MXKLTPICTSRDJB-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)C1(C)CCCCCCC1	1981415219	BFEAREZPVFTGKE-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
FC(F)(F)c1c(Cl)cccc1C1CC=CC1	1981969799	MOLSGVWCGRANRW-UHFFFAOYSA-N	246.659	4.792	0	10	BJAE	
CCC[C@H](O)CCCCC(C(C)C)C(C)C	1988264566	LJVRFSMLGVHSPB-AWEZNQCLSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](C)C(=O)CC1(C(C)(C)C)CCC1	1989449275	XCMXBXBJQGCKLM-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1(CCC)CC1	1990613316	MCKWTMNGNDKKAR-CQSZACIVSA-N	226.404	4.678	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](CC)C1CCCCC1	1996592702	CTPMAGGZNBYPTG-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)[C@H]1CCC[C@@H](CC)CC1	1997102118	CLXOIKNRJAGHHV-ARKGTOAJSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2C=CCCCC2)s1	2000210569	BCWNJAFIQOONGK-CYBMUJFWSA-N	248.391	4.684	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CC23CCCCC3)cs1	2001256605	XNDLLYKEACJGOE-CYBMUJFWSA-N	248.391	4.600	0	10	BJAE	
CCC(C)(CC)C(=O)CC1[C@H]2CCCCC[C@H]12	2002219192	MKPFKHLPDRGYLD-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C1CC(C(C)(C)C)C1	2002300509	ULYAPUIFFKAONQ-USPMSXPRSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](C1CC(CC)C1)C(CC)(CC)CC	2002307602	RYEIUJJIBGCFKB-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H]2CCCCCCCC2=O)C1	2003070304	KVNCAFIGCZASPS-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@H]1C=CCCCC1	2003105706	JKUKDKPCDOXEDA-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
CC(C)C1CC(C2(O)CCCCCCCC2)C1	2003122273	TVFPTMYYVVUHQC-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CC=C(C)C)C1(CC(C)C)CCCC1	2004232303	FNGRNNOSHLICIF-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C(C)(CC)CC)[C@H]1C	2006983601	LVECXWUHYDBYJG-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)C1(C)CCC(C)(C)CC1	2007696760	NAGWUGUCSGFPQS-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CC1(CC[C@@H]2CCCCCCCC[C@H]2O)CC1	2009543606	HYBXFALMQPEECO-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCCC(C)(C)CC1	2009569387	OKBJUIMTMYZTGG-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
C/C=C/CCCC(C)(C)[C@H]1CC[C@@H](C)CC1=O	2009576194	JDLFJJVLHFXFPZ-IHDARNGBSA-N	236.399	4.764	0	10	BJAE	
CC=CCCC[C@@H]1CCC[C@@H](NCCC)[C@H]1C	2009618173	ZSHSGLOSQKSSJI-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C(C)(C)C(C)C	2009630355	WBBVSRJHCHTJTN-HEWZJLJBSA-N	239.447	4.783	0	10	BJAE	
CCC(CC)(CC)C(=O)CC[C@H]1C[C@@H]1C1CC1	2011190469	NBMQRKUNBCYQJN-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)C[C@@](CC)(CNCC(C)C)C(C)C	2012415778	DZGLYARAYGIUCD-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CC[C@@](CCCC1CC1)(CNC(C)C)C(C)C	2012427725	XDJFWIVIQBLLOG-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCCCC[C@@H]1C(C)C	2013482235	BIARYLRWNYWMPO-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
Cc1c([C@H](O)[C@H](C)C(C)C)sc2ccccc12	2014291156	GMRCTBKQVBJXBN-QMTHXVAHSA-N	248.391	4.535	0	10	BJAE	
CCC[C@@](O)(CCC(C(C)C)C(C)C)C1CC1	2015335498	LSPLMKCRBLBSEP-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C1(C(=O)C2CCCCCC2)CCC1	2017132450	DUSURMDDBGPVNO-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC(C[C@@H](O)CC2CCC2)CC1	2017652266	FAFMAHSIAFUJOA-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C)[C@@H](CC)CC1CCC(CC)CC1	2017722278	PCIVFCVNCDHIPN-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CC=CCCNC(C)C)CC1	2017736569	YIXLJVQZYWXLPO-WKILWMFISA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H]1CC12CCCC2	2018134074	KWIUVKFYHSERIS-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)N(C)[C@H]1CCCCC12CCCCC2	2019306937	DSQKDQPMDLMHLO-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CCC[C@](O)(CCC1=CCCCC1)C(C)(C)C	2019768285	NCSNAZPUJMOHOM-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC=C(CC)[C@H](N)C1CCC(C(C)(C)C)CC1	2020917233	HRVUKVNAYRYJAP-NRXISQOPSA-N	237.431	4.523	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H](CC)CC(C)C	2020967475	SFYWNXSFOUJOAK-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@@](C)(CNCC)CC(F)=C1CCC1	2023196327	NOJAGNKVQPWQPD-OAHLLOKOSA-N	241.394	4.590	0	10	BJAE	
CCCNC[C@@H](CC)C[C@H]1CCCC(C)(C)C1	2024094876	NEWXUYWIWZXTCS-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CN(CC1(C)CCCCC1)C1CCC2(CC1)CC2	2027296320	LLLPZHQLRTXVAN-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC1(C[C@@]2(CNC3CC3)CC2(C)C)CCCCC1	2027306097	HSKHESXTPKMKCT-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC=C(C)C)c1ccccc1C(C)C	2027518683	UREGPNOGFGPSIQ-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1ccc(CC(C)C)cc1	2028231169	CAEPUEVUQKHNCN-DLBZAZTESA-N	248.410	4.601	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)[C@H](CC)C(C)C	2028253208	VBGJXAUWRLQZGD-IAGOWNOFSA-N	247.426	4.718	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)c1cccc(C2CC2)c1	2028550509	WPFOVJPJBBSFID-HNNXBMFYSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@]1(C)C[C@H]1C	2028873213	VHSKXIBVAZEVFX-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)c1ccc(C)cc1C	2029965624	AIHICRQOMNVJQM-CJNGLKHVSA-N	247.426	4.780	0	10	BJAE	
CC(C)C1(CN[C@]23CCCC[C@@H]2CCC3)CCC1	2031805870	UFPDUISDVHSBIF-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@@H](N)C(C)(C)C2CCCCC2)c1	2032339139	MVQATPMWWUSODH-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@H]2CC3CCC2CC3)C1	2033382043	BRPYBOGQQWDVEB-PFSRBDOWSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H](C)[C@@H]2C(C)C)cc1	2035412152	RVAAVVCUXIQILU-XKQJLSEDSA-N	245.410	4.732	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)C1(CC)CCCC1	2035599916	NXBDABJKGDEOSK-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C2(N)CCCCCCCCC2)cc1	2035888991	UHHPNZQWGLVKQR-UHFFFAOYSA-N	245.410	4.674	0	10	BJAE	
CCNC[C@]1(C2CCCCCC2)CC12CCCC2	2036109023	VGPUCXYQKRKTJN-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)c1ccc(C(C)C)cc1	2036374939	LXMSZOJRFCEJAD-WMLDXEAASA-N	248.410	4.700	0	10	BJAE	
CCC1(CN[C@@H]2C[C@@H]3CCCC[C@@]3(C)C2)CCC1	2036664509	KSGUMCXMZWCFRP-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C1=CCCCCC1	2037094135	CFKXURUWRSUJTD-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC1(C)CCC[C@](N)(CC[C@@H]2C[C@H]2C2CC2)CC1	2037128960	ZBVAVOPQWQVPOR-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2037134767	ZYBLRVSKBQZYSJ-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@@H](C)C(C)(C)C)c1cccc(C)c1	2037173347	GVMCCIOSGJRWBX-PBHICJAKSA-N	247.426	4.631	0	10	BJAE	
CCC[C@@](O)(c1ccccc1)[C@@H]1CCC(C)(C)C1	2037571902	MAMWXZIBEQZKIL-NVXWUHKLSA-N	246.394	4.501	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@H]1CCC2(CC2)C1	2038568409	PYOOXSUEQUGREO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC[C@]1(C)CC=CCC1	2042074548	OIUDFEXKZZYHRU-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC(N)(CC2CC3(CCC3)C2)CC1(C)C	2042332161	GMHIFMAYROZTSM-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)[C@@H]1C=CCCC1	2043188943	XCZOJMODMCJWSX-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H]1C)[C@H]1C=CCCC1	2043189501	BLBZFBGSHSLHJI-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC1CCCCCCC1	2043191181	NWKWPIDUSLPVHH-OAHLLOKOSA-N	249.442	4.968	0	10	BJAE	
C[C@H]([C@H]1CCCC(C)(C)C1)[C@H](O)c1ccccc1	2045370746	KWAUQLBTTYWNNR-KBMXLJTQSA-N	246.394	4.573	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@@H]1C(C)=CCC[C@H]1C	2045746241	IGFSVOLUYLWPJR-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2CC3(CCCCCC3)C2)C1	2046229829	INMKPXZQSFMQLP-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@H]1CC12CCCCC2	2047052172	KVTMRKHDXGNRLP-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
CCCNC[C@@]1(CCC2CCC2)CCC12CCC2	2047964278	FMGATLZRNYQUSQ-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C[C@@H]1[C@H]2CCCC[C@H]21	2048439710	OLVANGWVSOVSRO-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2[C@H]3CCCCC[C@H]32)c1	2048447714	ADXVFQORADYHPI-MUJYYYPQSA-N	243.394	4.542	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2	2049639534	GBMHUSNCQUZGFG-YHUYYLMFSA-N	248.410	4.742	0	10	BJAE	
C1CCCCC(N[C@@H]2CCC[C@@H]2C2CC2)CCC1	2049681782	PLVBGHVEPYCIEB-IAGOWNOFSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)C[C@@H]1CCC2(CC2)C1	2049848297	IHXNSHXFUVWFJW-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H]2CCCC3(CC3)C2)C1	2049947933	KUXLBPQXPMYDSC-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C2(N)C3CCCC2CCC3)C1	2050013667	JGUQAFJNJHHCPG-LETWWHAPSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@H]2CCC3(CC3)C2)cc1	2050458649	OTRGEVJMAHOCOP-CQSZACIVSA-N	242.362	4.538	0	10	BJAE	
CN[C@H](C1=CCCCC1)C1(C)CCCCCCC1	2052481617	ZKFDUQNVLWAQTR-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(C[C@H](C)C2CCCCC2)C1	2054987067	JLJOTDGPOBVMLB-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H](C)[C@H]1CCCC(C)(C)C1	2055669934	QLNPMFWDNFMELD-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
CC1=CCCC[C@H]1N[C@H](C)C1CCC(C)(C)CC1	2055677349	HZGKIRLWLUASFL-GDBMZVCRSA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H]1CCCC1(C)C	2056878867	NYAZIODEPLIRBA-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC(N[C@H]2CCCC3(CCCC3)C2)C1	2058829807	OEDNKTDLMFZSTQ-FHERZECASA-N	249.442	4.658	0	10	BJAE	
CCc1ccc(C(F)(F)F)c(Cl)c1Cl	2060074846	XVRYVBYUIQIQAE-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@@]1(N)C1=CCC(C)(C)CC1	2061120200	VTRPJCOOIIMQBN-YSVLISHTSA-N	249.442	4.523	0	10	BJAE	
Cc1ccc2ccn(CC[C@]34CCC[C@H]3C4)c2c1	2061602980	QPZICNBJODPGFC-RDJZCZTQSA-N	239.362	4.530	0	10	BJAE	
CC(C)C[C@@H](C(=O)CC1CC(=C2CC2)C1)C(C)C	2061696436	PKDAYARCWMLJJO-MRXNPFEDSA-N	248.410	4.764	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(N)CCCCCC12CC2	2062008517	FGLHYYBVJQUZGN-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCC1(CN[C@@H]2CCCCCC23CC3)CCCC1	2062017190	MZWIHYWXEONRSO-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@](O)(CCC[C@H]1C[C@H]1C)c1ccccc1	2062604176	VFWYUSXAPPJLPX-VYDXJSESSA-N	246.394	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2CC3(C2)CC(C)(C)C3)C1	2063209083	RYHYQVDZTRRWPK-OCCSQVGLSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063490471	LIWRUMOGFVVQTL-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063514774	CYUDLESDPWIWSY-ZSHCYNCHSA-N	246.394	4.662	0	10	BJAE	
Cc1cccc(OC[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1C	2063536686	VCZIWTBWUKYBJK-MUJYYYPQSA-N	244.378	4.509	0	10	BJAE	
C[C@H]1C[C@@H]([C@@H]2CC(=O)CC3(CCC3)C2)CC[C@H]1C	2063719048	BQWJKZRWISROHH-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@@H](NC)C1CC2(C1)CC21CCC1	2064005777	UNWFKLJCISRSKC-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](Nc1ccc2[nH]ccc2c1)C1(C)CCCC1	2067510162	UZQJFJMQXHWXNM-GFCCVEGCSA-N	242.366	4.549	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2067530207	ONUSDRGCUKPCBO-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)C)c1cc(C)c(C)cc1C	2069012509	ZGFKWOZIKKEFGH-SJKOYZFVSA-N	247.426	4.555	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@]23CCCC[C@H]2C3)CCC1	2069337284	JLZKJSBWYKIZKJ-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H]2CC[C@@H]3CCCC[C@@H]3N2)CCC1	2069343658	BNIJYHNPQNWSHO-JYJNAYRXSA-N	249.442	4.658	0	10	BJAE	
CC(C)CC1(C(=O)CC23CCC(CC2)CC3)CC1	2069508577	BYNHHNMFPPKISW-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C1(CC2CC2)CCC1	2069523630	NDPPWBMVWVQRHF-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@]23CCC[C@@H]2C3)CC1	2070913388	VNAATJMNGUULCJ-CXAGYDPISA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(F)cc1NCC1(C(C)(C)C)CCC1	2071952206	ARTJFOPAQYXIHO-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@H](CC)c1ccccc1	2072418535	UDLZSOORLKJLDL-SJORKVTESA-N	245.410	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CN(C)[C@H]2C=CCCCCC2)C1	2074811204	UFCIBMKAKOBSLD-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2C[C@H]2C2CCCCCC2)CCC1	2079784196	AJEOKLBNPROFSN-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C1CC2(C1)CC(C)(C)C2	2079851161	JUFSKRWCWXWKNM-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCCCC12CCC2	2079852137	OUWZWXMUEWGPGD-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)=CC[C@@H](O)c1ccc2ccccc2c1C	2081782489	RQWKRKRSOKTWSM-QGZVFWFLSA-N	240.346	4.538	0	10	BJAE	
CCCc1ccc([C@H](CC=C(C)C)NCC)cc1	2081789174	MXBOJWVUBNTEHZ-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CCCN[C@@H](CC)c1cccc(CCC(C)C)c1	2082702171	FAOYDYRIXYDRDQ-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCC1(CC)[C@H]2[C@H](CCCC23CCCCC3)[C@H]1N	2083274291	YIQAIFMMDISGEL-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C)[C@@H]1C[C@H]1C=CCCCC1	2083658317	ZHEVJVGZWAJRSI-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1cc(C)ccc1C	2086054238	QXDOSDCWLLTPQN-GUYCJALGSA-N	247.426	4.910	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CC1(C)CC(C)(C)C1	2215461459	RVVJIOAUEYFVLX-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)[C@]1(CNC(C)C)CC=C(C)CC1	2215827359	VLUSREUCWZQOPO-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(O)CCC[C@H](C(C)(C)C)C1	2216256833	JIXRCZMDVNHASE-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CC(C)=CC[C@H](N)CCCCCCCC1CC1	2216878821	WYPFGFHFYRFNTJ-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC(C)(C)CC)C=CCC1	2217149103	HLJVVEUSLWPYKJ-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC1(NCC2C[C@H]3CCC[C@H](C2)C3)CCCCC1	2218356933	PFKRQLDTDKSFKO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(CCC=Cc2ccccc2)cc1C	2219077432	CDWBCNHIOMYZQQ-UHFFFAOYSA-N	236.358	4.949	0	10	BJAE	
C(CCN1CCCC[C@@H]1C1CCCC1)CC1CC1	2220014166	QELQMWQCAXENRY-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NCC1(C)CC2(CCC2)C1	2221015127	GPJQNYSPMODYDE-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H]1CCC[C@H]1C)[C@]1(C)CC=C(C)CC1	2221620338	YNDDTZSPENQSHL-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](CCCC(C)C)(CNC2CC2)CC1	2221669652	YYKMEIDBNQMEPX-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CCC2)CCC=CCCC1	2223602267	ZBBLGJREQHOAFF-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@@H]1CCCC[C@H]1C)N2	2224127343	ILRNZMRFQYSIOC-FRFSOERESA-N	243.394	4.548	0	10	BJAE	
C(=C/c1ccccc1)\Cc1ccc2c(c1)CCCC2	2226211026	QMWPTPFCNMHXNW-RMKNXTFCSA-N	248.369	4.821	0	10	BJAE	
C(=C/c1ccccc1)\C[C@@H]1CCc2ccccc2N1	2226216968	LKTITRFEEFVDMD-RCMYXZNBSA-N	249.357	4.517	0	10	BJAE	
CCCc1cccc(CC2=CCCCC2)c1	2243239937	YWVBLDPJFGDRBL-UHFFFAOYSA-N	214.352	4.682	0	10	BJAE	
CCC(C)(CC)NCC[C@H]1CCCCC12CC2	2246643247	PJGRUYSIECHVQI-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCNCCC(C)(C)CC[C@@H]1CCC[C@H](C)C1	2246687641	PUEKRKXLGULKRR-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C)CCCC[C@@H]1CCC[C@H](C)C1	2246723921	BCYXFUKEWHHUDA-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@](C)(N)CCC2CC2)C1	2246727478	NHQGRLVSXORQOR-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC[C@]1(CC2=CCCCC2)CCCCCN1	2247501918	SXFOWIPTRWUOKE-MRXNPFEDSA-N	235.415	4.579	0	10	BJAE	
CC(C)CN(CCCCC[C@H]1C[C@H]1C)C(C)C	2248837339	FBYDSSQQADIYGM-CVEARBPZSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC1(CO)CCC1	2250473600	FNUQPHQYYMWOAZ-OAHLLOKOSA-N	240.431	4.782	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C(C)C)[C@@H](C)O	2250484145	BVNWBGCXCHDPNH-XHSDSOJGSA-N	242.447	4.882	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)CC2CCCC2)C1	2251532255	USTUILWKPOWTSY-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)C1=O)C1CCCCC1	2251714381	WUYIGPMMNVVJCB-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
O=C(CCCCC1CC1)C[C@@H]1CCCCC12CC2	2253831815	KNZPMDVSBPWILT-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@@H]1CCCC[C@H]1C)CC2	2253852852	HPZPDIXXAGBYBS-WQVCFCJDSA-N	243.394	4.548	0	10	BJAE	
CN[C@@H](CC[C@H]1CCCCC12CC2)C1CCCC1	2253853382	LFMCSAFWWJKDBW-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@H](CC[C@H]2CCCCC23CC3)NC)CC1	2253856794	QXDWDRYFRKHXHI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@@H]2CCC3(CC3)C2)C1	2253931074	PLOZIMQSCMASKP-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)CC[C@H]3CC[C@H]2C3)C1	2253937540	IZBBJCTYAAFITN-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CCC1(C)C)c1ccccc1	2254957629	GBRFKIJZHMXTLM-DZGCQCFKSA-N	244.378	4.576	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2CCC23CCC3)cc1	2254969717	VEELBYBSAQYFLM-HNNXBMFYSA-N	243.394	4.802	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H]1CCCCC1(C)C	2255062476	IAKHBBQCNCYDNQ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCC[C@H]1CCCC12CC2	2255221619	BEDMMWQEHFFMGM-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@H]1CCCC12CC2	2255231282	AXUQILJFMSEKLA-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CCCC[C@H](C=C1[C@H]2CCC[C@H]1CC(N)C2)CC	2257998465	QMJKVLKHBXMRFH-WTPYQEHOSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cccc(C2CCC2)c1	2259445018	SNDDESWEKVHCRY-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@]23CCC[C@H]2CC3)C1	2260645738	JRHCYZLIXMEJNO-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(=O)CC1CCCCC1)CC1CCC1	2298885975	WLBBDUAOBLNBGB-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CCC[C@H](CC)C1	2300678530	LGAOFFMMMFZCRZ-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1C(C)=CCC[C@H]1C	2300684681	WVRTVHYMEIWUID-FVQBIDKESA-N	237.431	4.523	0	10	BJAE	
C[C@@H](CC1CC1)Nc1cc(C2CC2)ccc1Cl	2300694826	KRYIWASKNGEDFE-JTQLQIEISA-N	249.785	4.818	0	10	BJAE	
CCC(C)=CC[C@@H]1CCCC[C@@H]1CNC(C)C	2300901338	IKHNGBXBIQOSLD-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
N[C@H]1CCCCCC[C@@H]1CC1CCCCCC1	2301140197	MXZCSJREIVKJTH-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CC[C@](N)(CCCC2=CCCCC2)C1	2302360144	ZATQJTDZXUPDDE-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)CCCCC1CC1	2302576374	FLSISSOKTNUNHB-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1NC[C@H](C)c1ccccc1	2302887176	ZKZRKALDZCEQLP-LBPRGKRZSA-N	245.391	4.526	0	10	BJAE	
FC1CC2(C1)CC(CC1CC(=C3CCC3)C1)C2	2304412891	WJWXPIJAPSLHOP-UHFFFAOYSA-N	234.358	4.795	0	10	BJAE	
C[C@@H]1CC[C@@H](c2nc([C@H]3CC34CCC4)cs2)C1	2304509938	HVTPRHUYYYWIHO-IJLUTSLNSA-N	247.407	4.704	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCCC[C@H]1CC	2307847549	XLNGAORMIHQJMI-RRFJBIMHSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CO)CCCCC12CC2	2307899610	RBQCZXKSGSVZGS-GOEBONIOSA-N	238.415	4.536	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)[C@@]12CCC[C@@H]1C2	2312407900	AVYMOCUVMIXXDA-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
N[C@@H]1CCCCCCC[C@H]1C[C@@H]1C[C@H]2CC[C@@H]1C2	2313184699	KBQHQFXJPIVWID-BQJWPVKWSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCN(C)C(CC1CC1)CC1CC1	2315422229	MRPXOCHXZQUJMG-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCC(CC)CCN1CCCc2cc(C)ccc21	2316246046	PPZOGQHPKYORHL-UHFFFAOYSA-N	245.410	4.574	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1c(C)cccc1C	2316502692	LXSPCHHBBHJYFY-MRXNPFEDSA-N	245.410	4.700	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1CC(=C2CCC2)C1	2316539737	NOOADDVAOLBZFT-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CCCC[C@@](C)(N)CC(C)(C)Cc1ccccc1	2317288512	WQSFLYIFJDXDGV-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
CC(C)c1ccc(F)cc1NCC1(C)CCCC1	2317934077	NKMMZCPBPZNQAL-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N1CC=CCC12CCCCC2	2318010498	FZBXDIWRDKLSSY-JKSUJKDBSA-N	249.442	4.632	0	10	BJAE	
CC1(C)CC[C@@H](Cn2ccc3cc(F)ccc32)C1	2319326169	LYNKPFGXTWYWOE-GFCCVEGCSA-N	245.341	4.607	0	10	BJAE	
NCC1(CC[C@@H]2CC[C@H]2C2CC2)CCCCCC1	2319731390	TWBVWJJOIMWNSA-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
CCCCC1CC(N)(CC[C@@H]2CC[C@@H]2C2CC2)C1	2319751942	VPGMHHJMWUIUEH-CBUUIXETSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@]12CCC[C@H]1CC2	2320218109	UCSROYZPZBUKFM-ZOMKSWQUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CN([C@H]2CCC23CCCCC3)C(C)(C)C1	2320571232	HHDZPRGTVWFMKD-AWEZNQCLSA-N	249.442	4.610	0	10	BJAE	
CC1=C(C)[C@](N)(CC[C@@H]2CCC(C)(C)C2)CCC1	2321610386	GTOLUJMVXHCZPL-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C=O)sc1-c1ccccc1C(C)C	42731504	GHNQYPSSGVFDJE-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)c1cccs1	71085133	IWPCCRZVDDYQHY-OLZOCXBDSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC)CNC(C)C	71127253	IEOVTMXYPCTOTH-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
Cc1c(Cl)cccc1C1CCCCC1	75841181	JSJRKCAWJNQFTD-UHFFFAOYSA-N	208.732	4.696	0	10	BJAE	
CCCC[C@H](CC)CSc1cccc(N)c1	85927837	RZKGGRGSDNGKSU-LBPRGKRZSA-N	237.412	4.577	0	10	BJAE	
CC(C)CC[C@@]1(O)CCC[C@H](C(C)(C)C)CC1	87187945	FVNULPWUKGVBFB-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(C(C)C)c2cc([C@@H](O)C(C)C)oc12	88072647	YSIBUDYNYKIDFW-HNNXBMFYSA-N	246.350	4.554	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2c(C)cccc2Cl)o1	90525701	DCEDXRVLFFLMBR-LLVKDONJSA-N	249.741	4.723	0	10	BJAE	
CCCC1CCC([C@H](C=C(C)C)NCC)CC1	92116888	WXQNLNWZRDMYNF-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](NCCC)C1=CCCCCC1	104007839	FJSLNODGDURHPL-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CC(C)C[C@H](N[C@@H]1CCC[C@H]1C)c1ccccc1	109964017	OIFLEBZDVFQJDM-OIISXLGYSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@@H](CC)CC(C)(C)CNCC(C)C	110194542	MNLSGUPMGJYDDI-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CCCC(CCC)[C@H](N)c1cc2ccccc2o1	128216059	DSUBDEJIOPXEJS-INIZCTEOSA-N	245.366	4.649	0	10	BJAE	
Cc1ccc2oc(-c3nc(Cl)cs3)cc2c1	132045266	VJYCVCWWWZADOY-UHFFFAOYSA-N	249.722	4.518	0	10	BJAE	
Cc1ccc(N[C@H](C)c2cc(C)cc(C)c2)cc1	132427748	SUQWNNZTFQHUIM-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CC(C)NC[C@@H](CC1CCCCC1)C(C)(C)C	162349648	JEKMRLLVPIDCKF-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)c1ccccc1	203416171	FVUPGOASMHPFKR-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)c1cccc(CC)c1	228851791	IHQWLPXGHAVGBX-NVXWUHKLSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](CC)Nc1cccc(C(C)C)c1	233349101	GOYRMJGCYYEGAS-AWEZNQCLSA-N	219.372	4.801	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC2(C)CCCCC2)CC1	235302474	RZDTWCUOGLGOFO-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1ccccc1N[C@@H]1C[C@H](C)CC[C@H]1C(C)C	250989070	NNHFFAKNLHWZMW-UKPHBRMFSA-N	245.410	4.868	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H]2C[C@H]3CC[C@H]2C3)C1	251102622	DRZKUDQRCGSBCC-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccc([C@H]2CCC(F)(F)C2)cc1	258921318	WNNALAMFRANNEN-LBPRGKRZSA-N	238.321	4.887	0	10	BJAE	
CC[C@H]1CCC[C@](O)(C2=CCCCCCC2)C1	300128287	FYPBFUCZYAZHTQ-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCCCC1CCCC1)C1CC1	302246634	IQJFGVJLQUGEQU-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(NC[C@@H](C)C(C)(C)C)c(Cl)c1	304364858	ZDXMOSOCDJYDCV-LLVKDONJSA-N	239.790	4.743	0	10	BJAE	
CSc1ccc(S)c2c(Cl)csc12	306914342	RIZCCIDOFHLUGZ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
C/C(=C\[C@H](C)C1CCCCC1)CNC(C)(C)C	310390520	GAFUQSNJPQXWBG-CMPYXILNSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC2CCC(C)(C)CC2)C1	310438396	RUBMUKWTIJFNKL-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](O)(C[C@@H](C)C1CCCCC1)C1CC1	310590067	YSIALRLIKRFJHG-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCOc1ccc2c(ccn2[C@H](C)CC(C)C)c1	310705553	CKVNMRAGAHCKPE-CYBMUJFWSA-N	245.366	4.647	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCCC2)CCC[C@H](C)C1	318590929	LXNWDMNMVNXDAG-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(CNC)CCCCCCC1	319796479	NSQVAAODTUHWDJ-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)C(C)(C)C1CCC1	322327399	TZAPREXLYMSBFI-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@@H](C)CCC(C)(C)C)C1CCC1	322517811	IJXFFZHGZLDLHL-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1cc(C)cs1	379049148	KQBNSGYNGMITDW-STQMWFEESA-N	239.428	4.663	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](O)C(C)(C)C(C)(C)C)C1	379841519	GUIVOXYKJPEXRJ-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
Cc1cscc1[C@@H](N)CCCCCC(C)C	383214563	CVFXOZDGGPQWBU-AWEZNQCLSA-N	239.428	4.663	0	10	BJAE	
CCC[C@@](O)(CC)c1ccc2ccccc2c1C	384357053	FOWWUGPMNJZGMS-KRWDZBQOSA-N	242.362	4.546	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H]1CC[C@H](CC)CC1	393346212	FWWLNBOPYBFSSR-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCOc1c(CC)sc2cc(Cl)ccc12	396185974	FIPCVKBLZRJEND-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CSc1c(F)ccc2sc(C(F)F)cc12	396256323	VOZLUARMSQTEGQ-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCC[C@@](O)(C1CCCCCC1)[C@H]1CC1(C)C	397586337	AOQKWHMPHQIOOE-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCCN[C@@H]1CCC[C@@H](CC(C)C)C1	397678162	RMNNYRORYMUOIL-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1coc2ccccc12	404708268	YXHFQCJBSPXTBV-MLGOLLRUSA-N	246.350	4.539	0	10	BJAE	
CCCN[C@H](CCCC1CC1)CCC(C)(C)C	405715433	GDHUDLSYYPNYGT-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CCC(C)(C)C1CC1	405723333	OXFFWOYTVFVFNX-UKRRQHHQSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)[C@@H]1CCN(C(C)(C)C)c2ccccc21	616587040	NJYRNIOSNAIBRI-CQSZACIVSA-N	245.410	4.825	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)CC1CCCCC1	689713042	APTWCQOOIAGPIF-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cccc(C3CC3)c2)o1	690171953	SLVJZLVPBYSZNK-GFCCVEGCSA-N	241.334	4.639	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc(F)c1Cl	690268787	UQXKUZYQEUFJNI-SNVBAGLBSA-N	243.753	4.860	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@H]1CCC[C@@H](C)C1	691190899	XPDYVXVPQUGNTP-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C(=O)CC2CC=CC2)CC1	692122385	HWXGZZMCMFCTGI-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC1(CNC[C@]23CCCC[C@@H]2C3)CCCCCC1	693552220	XVZREGBOXGTPLU-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)CCCC(=O)C1CCC2(CC1)CC2	695670019	GTOJISHBGNAPJC-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC([C@@H](O)CCC=C(C)C)CC1	697559433	CDUVFBONTKZYQA-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2C[C@H]3CC[C@H](C2)C3)CC1	697983460	VDSBNMLZTMUFDE-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C(C)(CC)CC	701131825	BXEDXOCCDMPTSN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H]([C@@H]1CCCCC1(C)C)C(C)(C)CC	701183036	JZCYSJHITPKWOY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@@H](C)CC(C)(C)C	704684986	MJHBQLKXAWXKIH-BBRMVZONSA-N	248.410	4.916	0	10	BJAE	
CC(C)c1ccc([C@@](C)(N)CC2CCCC2)cc1	704925341	HXVWOVDKAJSJLB-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CCc1cccc2ccn([C@H]3CCCC[C@H]3C)c12	704974811	DQPPOCGEUKEXOR-CJNGLKHVSA-N	241.378	4.955	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@@H]1CCCC12CC2	706219533	ZYOXALMKTVWJNM-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@@H](C)CC(C)(C)C	708297497	OHEDSKUQNLTGEI-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@]1(C)CC[C@@H](C)C1(C)C	710765507	MGUVHOCJJWTVSF-FQLMCAECSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCC(C)(C)CC)CC1	711276559	FKWJEMSCXSUSKP-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCc1ccc(NCC(C)(C)C(C)C)cc1	713147435	HWLVEWJXAWNWJL-UHFFFAOYSA-N	233.399	4.733	0	10	BJAE	
CCCCCC[C@H]1CCC(C)(C)C[C@@H]1NCC	717529426	AAKLQCTUASRRMT-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C(C)(CC)CC	721692205	LENPTQJYWVKWPF-KGLIPLIRSA-N	227.436	4.747	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1c(C)csc1C	724969656	ARURXQLPPVMJNQ-CQSZACIVSA-N	240.412	4.615	0	10	BJAE	
C[C@H](CN(C)C[C@@H](C)C(C)(C)C)CC(C)(C)C	1460746313	WXGOKAGXNQETGX-UONOGXRCSA-N	241.463	4.673	0	10	BJAE	
CC1(C)CCC(C)(CN[C@@H]2CCCC23CC3)CC1	1462351221	RAURQTGIDUAEGL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](S[C@H]2CCCc3ccccc32)CCC1	1613498630	RWJOPJFHOVDXMY-ZBFHGGJFSA-N	244.403	4.906	0	10	BJAE	
CC1(CSc2cccc(Cl)c2)CCC1	1613519950	BEPMEHAFMQCBFV-UHFFFAOYSA-N	226.772	4.622	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@H](C)C2)c2ccccc2c1	1659246624	FWNXOZOIEGQYJP-WFASDCNBSA-N	239.362	4.749	0	10	BJAE	
C/C=C/CCCCc1ccccc1Cl	1885373355	MOEUKQSSECGVMW-NSCUHMNNSA-N	208.732	4.629	0	10	BJAE	
CCC(CC)c1ccsc1C(F)(F)F	1889480950	KPZMIWBKJYLCSR-UHFFFAOYSA-N	222.275	4.671	0	10	BJAE	
CC(=CCl)CNc1cc(F)ccc1C(C)C	1901666149	LTIDJJNJGLAQCT-UHFFFAOYSA-N	241.737	4.504	0	10	BJAE	
CCc1cscc1N[C@@H](CC)C1CCCC1	1902391883	YKPBRYGBNGWFAY-ZDUSSCGKSA-N	237.412	4.691	0	10	BJAE	
CCc1cscc1NCC(C(C)C)C(C)C	1902391959	YZMAKARJQCXOTD-UHFFFAOYSA-N	239.428	4.651	0	10	BJAE	
CCCCC[C@@](C)(O)SCC1CCCCC1	1904796811	WXRMQSPNAWZGNO-AWEZNQCLSA-N	244.444	4.589	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)CCC)C(C)(C)C	1905445484	QIJGPBCLWVNGCB-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1	1906519669	MDSNMVGFXKGCJG-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCCCC(C)(C)CNCCC[C@@H]1C[C@H]1C	1908547589	UMZFDIYULAQSBB-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@H](C)C(C)(C)C	1911869794	JBJXTZBGWVRHPT-LSDHHAIUSA-N	237.431	4.559	0	10	BJAE	
CC=CCCc1cc(Cl)c(OC)c(Cl)c1	1911898330	VNKVDMGTBJEWBJ-UHFFFAOYSA-N	245.149	4.511	0	10	BJAE	
C=CC=CCC[C@H](NC)[C@]1(C)CC[C@H](C)C1(C)C	1912110853	LJQAVSLIKIZMEB-ZOBUZTSGSA-N	249.442	4.559	0	10	BJAE	
CCC(C)(C)CCC(C)=CCCNCC(C)C	1912121229	QUCGPNBLCHVZAE-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
O[C@@]1(C2=CCCCCCC2)CCC2(CCCC2)C1	1916446504	YHOVDUZEFYWXHB-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CC[C@@](N)(C[C@H](C)CC(C)C)c1ccc(C)cc1	1919458206	KMUBPXUNIRIHCW-NVXWUHKLSA-N	247.426	4.631	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@H](c1ccccc1)C(C)C	1921320716	PLORIMDCYODOAU-XIRDDKMYSA-N	248.410	4.613	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC2CC2)CCCC12CCC2	1921614905	JBHRWGNAKYXZSX-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(CC[C@@H]2C=CCCCC2)cc1	1925814314	KCBAHTARLIDDQP-OAHLLOKOSA-N	214.352	4.674	0	10	BJAE	
CCNC[C@@H]1CCCC[C@@H]1C[C@@H]1C=CCCCC1	1925890359	DWZDLWPZSVJGDI-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
O[C@]1(C[C@H]2C=CCCCC2)CCCC12CCCC2	1925905372	WFTYLCICBPDDKU-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CCC(N)(C[C@H]2C=CCCCC2)CC1	1925942473	JMJBYZROTBPPOV-GTPINHCMSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(C[C@@H]2C=CCCCC2)C1	1925946695	VRMKERCNRHUMGH-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC(C)(CC)CC)NCCC	1939112237	PSQNSLXANPIYRW-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
Cc1cc(Cl)cc2c3c([nH]c12)C[C@@H](C)C[C@H]3C	1941015982	LGQYLAKSLFIUCJ-DTWKUNHWSA-N	247.769	4.816	0	10	BJAE	
CCCN[C@@H]([C@@H](CC(C)C)C(C)C)[C@H](C)CC	1941266320	DEEOYWOAMRLSIJ-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)[C@@H](CC(C)C)C(C)C	1941267376	QZMWVTBRJPSJFF-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
c1cc2cc(NC3C[C@H]4CC[C@@H]4C3)ccc2s1	1941961581	SJUKOAWTKPDDMG-GHMZBOCLSA-N	243.375	4.502	0	10	BJAE	
CC(C)CC[C@H](C)CC[C@H](O)c1ccccc1	1942654331	ZMWRCPZFHRYMNI-HOCLYGCPSA-N	234.383	4.573	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)C[C@H](C)C1CCCCC1	1944618775	QKFVCXDYCHSYSV-DZGCQCFKSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H]1C)C(C)(CC)CC	1944836992	PMNIDDWGNCGJJW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCNC(C)(C)C1CCCC1	1945374612	NLBUBGLDBYTNQK-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CCCCC1(F)F	1947306704	UYTIVJPEALKOFJ-OLZOCXBDSA-N	247.373	4.513	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C[C@H](C)CC(C)(C)C	1948322298	XQENXPXPOCEKMA-IJEWVQPXSA-N	241.463	4.848	0	10	BJAE	
Cc1cc(NC2C[C@H]3CC[C@@H]3C2)c(C)cc1Cl	1948824362	XMFLSCAYWFKRQT-VXGBXAGGSA-N	249.785	4.557	0	10	BJAE	
CC1CCC([C@H](N)C2(C)CCCCCC2)CC1	1948978998	BWKLQGLPQRRRRM-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H](N)CC[C@@H]1CCC2(CCCC2)C1	1949551824	NBLRZAKFHZKHNP-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(NC[C@H]2C(C)=CCC[C@@H]2C)CC1	1963220388	NCXSBJFWWWGCPR-OTBWCIGPSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)NC1CC(CC)(CC)C1	1963228192	CXGHBNDJTSRIGL-CYBMUJFWSA-N	225.420	4.514	0	10	BJAE	
CCC(C)(CC)CNCc1ccc(C(C)C)cc1	1964072550	FBNXPPVRGLLMIT-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
Cc1cccc(C)c1NCC1C[C@H](C)C[C@@H](C)C1	1968352281	VBIOGHNAONTPKB-CHWSQXEVSA-N	245.410	4.788	0	10	BJAE	
C[C@H]1CCCCCCN1CC1(C)CCCCC1	1970728869	YYVCOZPGWDABOX-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCCCC1CC(N[C@H](CCC)CCCC)C1	1971389681	OQGAJUFQDZKFIK-HWOWSKLDSA-N	239.447	4.904	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@@H]1CCCCC12CC2	1972744893	PVRZZSLVVKZWJS-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](C)(CNCCC)[C@H](C)CCC	1978664903	SRUZCXFRWZHOJB-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(O)CCCCCCCC1	1980350713	IRAUXJDRLHHICV-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CC=CCCCC(=O)C1CCC(CC)CC1	1984574759	DPAGASMDBNZDJN-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CC(C)[C@H](C)C[C@H]1CCCCCCCC1=O	1988302833	OLEVOKQQFALXAO-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC[C@H](C)C(C)C)NCCC	1988309941	OPTWEVUZINSCSE-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccc(Cl)c(C)c1	1993201445	VIHFVPAEIDCYBS-HZMBPMFUSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H](C)[C@H](C)CC	1995204576	QJMLNTGFCNVSIY-BFHYXJOUSA-N	226.404	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@]2(C)CCCC[C@H]2C)C1	1995645688	TWYLLXOBUABTTI-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CCN(C)C[C@@H](C)CC(C)(C)C	1995660928	NVFZMEUORQBJBH-AWEZNQCLSA-N	241.463	4.817	0	10	BJAE	
CCC[C@H]1CCCCN1CCCCCC1CC1	1995784849	ZXBUZZRLGZCASR-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
C[C@@H](CC1CC1)Nc1ccccc1SC1CC1	1996547536	GIPONSQNZFWJMC-NSHDSACASA-N	247.407	4.542	0	10	BJAE	
CC1(C)CCC([C@@](C)(O)CC2CCCC2)CC1	1996554344	RYYYUAXFOGCGPS-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)Sc1ccccc1NCC1(C)CCC1	1996564260	OOJJEWJQKAQETA-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC(C)(F)F)CC1	1997106589	WAJMVASPQOVANT-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CC([C@](C)(O)CCC2CCCCC2)C1	1998647100	ZNGQIQQQKSRZTJ-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1ccccc1SC(C)C	1998745024	WVICVSMSHAZCAB-QWHCGFSZSA-N	249.423	4.788	0	10	BJAE	
Clc1ccc2c(ccn2[C@@H]2CC[C@@H]3C[C@H]3C2)c1	2001464646	RGQYGIRQMNBUII-SCDSUCTJSA-N	245.753	4.656	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)[C@H]1CC[C@H](C)CC1	2003066689	HAHOLLGPCARJFF-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](N)CC1(C)CCCC1	2003174444	DPSBVHYDCATYTP-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CC(C)=CC[C@H](N)C1CCC(C(C)(C)C)CC1	2004224668	DLUMCLYSIANBKF-NRXISQOPSA-N	237.431	4.523	0	10	BJAE	
CCN[C@H](CC=C(C)C)C1CCC(CC)CC1	2004231653	AUVUKUQYNTYPQH-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](Nc1ccc(C2CC2)cc1)C1(C)CCC1	2004840740	RBGLLDZUTOKARB-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
C[C@H]1CCC[C@@H]1N(C)C1CCCCCCCC1	2006743461	PPNKTLRRDAOZQF-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@@H]1CCC[C@@H]1C	2006753105	APRWEMUHEBDONM-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCN[C@@H](C)[C@@H]1CCCC(C)(C)C1	2009590242	QZPWPVOUKHWART-ICWYTKJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](O)C1=CC[C@H](C(C)(C)C)CC1	2010724773	DJLMDXJCLPIHLW-GJZGRUSLSA-N	238.415	4.556	0	10	BJAE	
C[C@@H](N[C@H](C)C1(C)CCCC1)C1CCCCC1	2014339148	KQGUAOMKOPMKGE-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC([C@@H](O)C[C@@H](C)C(C)C)CC1	2015269350	HEDZQYBSOQWXKC-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@@H](C)C(C)C	2015270698	KZMFYCGJFGSOKC-CZUORRHYSA-N	234.383	4.526	0	10	BJAE	
CC1=CCCC[C@]1(O)CCC(C(C)C)C(C)C	2015334981	JCWUYPPUYWAYFV-INIZCTEOSA-N	238.415	4.556	0	10	BJAE	
CCN[C@@H](C)[C@H](CC(C(C)C)C(C)C)C(C)C	2015413311	UKJFHSWCYDXRRF-GOEBONIOSA-N	241.463	4.575	0	10	BJAE	
CCC1(CC(O)(CC(C)C)CC(C)C)CCC1	2015593358	CFXAPDDGJAMBNY-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CC1(CC)CCC1	2015595576	MZQIATBHKQPXOQ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](NC)C(C)(C)CCC)CCC1	2015634693	KZRBWRPNFFLTTG-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@]2(O)CCCCC[C@@H]2C)CCC1	2015636519	YWSKDGIMCHLNDG-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC1CC(CC(=O)CC2(C(C)(C)C)CCC2)C1	2017129397	OCMFIIVLCAVQKU-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)CC1(C(C)(C)C)CCC1	2017129512	PKPHZMUAJNMEPN-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC1(C[C@@H](O)C2(C(C)(C)C)CCC2)CCC1	2017159624	ZBAPNFMQNTXAOY-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC(F)=C(C)C)CC1	2017462481	AULDFEAJXNSDOC-KGLIPLIRSA-N	241.394	4.588	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC1CCC(CC)CC1	2017776326	NLWYNGCIDSVQIA-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1[C@@H](C)[C@@H](C)CC[C@H]1C	2018074285	HMTWFMPYWLTIIB-XFIYOXNOSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCC2(CCC2)C1	2018136168	IGEVFRIYUXVZTM-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@@H]1CCCCC1(C)C	2020974955	WDCYHUXCNIEHKN-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1Nc1ccc(Cl)cc1	2021076388	MPPGWNNYKGKUQT-MJVIPROJSA-N	249.785	4.577	0	10	BJAE	
O=C(c1ccsc1)[C@@H]1C[C@@H]1C1CCCCCC1	2022417458	MWXFRPFVTXSBSQ-ZIAGYGMSSA-N	248.391	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@](O)(CC)C1CCCCC1	2022447746	IGHZJNIVPXIHLY-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CCCC(C)(F)F	2023306469	IXHGBKRHSQVKEQ-CHWSQXEVSA-N	249.389	4.746	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1ccccc1C	2026143465	KOQBSZHGQAGCPR-XJKSGUPXSA-N	234.383	4.635	0	10	BJAE	
CC1(C[C@@H]2CCN[C@@H]3CCCC[C@@H]23)CCCCC1	2027309546	QYKGBNHGZAEDPN-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CC[C@@H]2CC2(C)C)cc1	2027830653	JINLNFPMTAIBOI-CVEARBPZSA-N	246.394	4.670	0	10	BJAE	
CCc1ccc([C@@H](O)[C@@H](CC(C)C)C(C)C)cc1	2028241642	SUWDRIMQLLIFAL-DLBZAZTESA-N	248.410	4.601	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1ccccc1C1(C)CC1	2028555900	XUTZSNGWGQEDLX-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CCCC[C@H](C)[C@H](C=Cc1ccccc1)NCC	2028583366	JQWOQXWJLQFPOE-RDJZCZTQSA-N	245.410	4.504	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CC[C@@H]2CCCC[C@@H]2N1	2028633606	KHBORQKNYDZDJY-BBWFWOEESA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@@H]2CCCC[C@H]21	2028788134	XLIUMDNHQWSVRV-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@H]3CCCC[C@H]32)CCCCC1	2028788370	YQFGDTZQIFOPBT-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CC2CCC=CCC2)C1	2028873742	FQGUELLCQWUNFY-WBVHZDCISA-N	249.442	4.668	0	10	BJAE	
C(CCNCC1(C2CCCC2)CC1)CCC1CC1	2029737313	CGTHKOMUCGJMSC-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)CCC1=CCCCC1	2032305457	ICTVSGCHHPXBLP-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C[C@H]2CC2(C)C)cc1	2032421079	MJDUFKLKHVXNNK-DOMZBBRYSA-N	244.378	4.819	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cccc(C2CC2)c1	2035427488	WYTPFDKXIHSMAX-PBHICJAKSA-N	243.394	4.945	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)C1(CC)CCCC1	2035577405	YQJUYVQLBBJRFQ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@@H]1CC12CCCC2	2036088027	BIVDHQOZNCSKQH-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@@H](N)c1ccc(C(C)(C)C)cc1	2037126297	ZCEZQJYNPPXDGA-XJKCOSOUSA-N	247.426	4.666	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CC[C@H]2C[C@@H]2C1)C1CCCC1	2037132686	NEXMXWVHELUUOX-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)CC1C[C@H]2C[C@@H]2C1	2037146457	XWGRFFFZBFIKCH-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H]1CCC2(CC2)C1	2038572445	QBTAZRSNMBBBJK-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(CC2(N)C[C@H]3CCC[C@@H]3C2)CC1	2038627515	XTTIRXXTWTZZOP-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](CNC2(C3CCCCC3)CCC2)C1	2040130663	JTSNIRJFIIZFQQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)CCCC23CCCCC3)C1	2040165749	KHPLWVZAJFUTBT-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H]1C)[C@@]1(C)CC=CCC1	2042028678	YZRJXPWVCXWWAF-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@@]1(CC[C@H]2CC2(C)C)CC=CCC1	2042093506	HYHYGDYQQDOFFP-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCC2(CCC2)C1	2043605919	FRCALSFJJUTFGZ-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)[C@H]1CCCC(C)(C)C1	2045537694	CPMIPGUJLXCUFH-JONQDZQNSA-N	249.442	4.523	0	10	BJAE	
CCC(C)(C)CC(=O)c1c(C)oc2ccccc12	2045586873	JNYUZHTWBLDFCY-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
CCC1CC(NC2CCC3(CCCCC3)CC2)C1	2045670684	MGSGTBYXWMDOEF-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC1(CN2CCCC23CCCCCC3)CCCC1	2046562015	MUROYDFLHBVPQF-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCN(CCC[C@@H]1CC1(C)C)c1ccc(C)cc1	2046568923	QSKFFNYUNKNULL-OAHLLOKOSA-N	245.410	4.648	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1CC12CCCC2	2047009315	QGXBRFWLXAYOKO-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
FC1(CNc2ccc3ccccc3c2)CCCC1	2047238032	AHIPXAVBAAXYAW-UHFFFAOYSA-N	243.325	4.534	0	10	BJAE	
CC(C)C1CCC([C@H](C)N[C@H]2CC=CCC2)CC1	2049419172	XIPGYQJEXGZZGT-OTBWCIGPSA-N	249.442	4.536	0	10	BJAE	
CCCC(CCC)CNc1ccc(C)c(O)c1C	2052171936	DHHYGTDSDMMZNL-UHFFFAOYSA-N	249.398	4.637	0	10	BJAE	
CC1(C)CCC=C[C@H]1N[C@@H]1CCCCCC1(C)C	2055529827	YOSYDXSWYHGUST-HUUCEWRRSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](CC2C[C@@H](C)C[C@H](C)C2)CC1	2055537559	VQWKFVFIGBMYQH-SYWGBEHUSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1CNCCC1=CCCCC1	2056490523	LHSJTGVZGJURMV-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CCC1CC(C[C@H](N)[C@]23CCCC[C@@H]2CCC3)C1	2056654187	XATYWKZCLHJJJR-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)C1(C2CC2)CCCC1	2057608650	IJEDECOBOBOSNY-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C1(C2CC2)CCCC1	2057609092	MTQMJSRQFBOMHM-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
C/C=C/CCC[C@]1(O)CC[C@@H](C)c2ccccc21	2059223605	PLYHRESNOHZMAN-FHPLJQIUSA-N	244.378	4.518	0	10	BJAE	
CCCC1CC(Nc2cccc(C3CCC3)c2)C1	2059392645	UIBUVMFXSQWHAW-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CCCC1CC(N[C@@H]2CCCCC23CCCC3)C1	2059392811	WQVXXLWUCAWRGR-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)C1=CC[C@H](C(C)(C)C)CC1	2061112137	CJUDJFACCCAJPT-JKIFEVAISA-N	249.442	4.667	0	10	BJAE	
CCC1(CC)CC(N)(C2=CC[C@H](C(C)C)CC2)C1	2061120641	ZEDBHLMLENPFJP-AWEZNQCLSA-N	249.442	4.667	0	10	BJAE	
CCCC1([C@@H](O)CC2CC(=C3CCC3)C2)CCC1	2061687778	INNFCDILAMJSDO-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CCC[C@H]1C[C@@H]1C	2062600294	YTYPIXOKFLUXGN-GRDNDAEWSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H](NCCC[C@@H]1C[C@H]1C)c1ccccc1	2062604740	WWZXBGVSZHRJKN-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
CCCC1(NCC2C[C@@H]3CCC[C@H]3C2)CCCC1	2063470873	GVJGQSNGPCQCRB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(CC1C[C@H]2CCC[C@@H]2C1)C1CCC1	2063496265	IOFYPDAGVCNONG-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063499728	CLTKWRKQLCUABB-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC12CCC(CC1)C2	2065340431	WEELDGZASHEGLA-MNAZLIDISA-N	249.442	4.645	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)n1)C1CCCC1	2066345676	YYXOKQFVJQKMFQ-AWEZNQCLSA-N	246.398	4.586	0	10	BJAE	
C[C@@H](N[C@H](C1CCCC1)C1CC1)C1(C)CCCC1	2067518349	WKFCBBNBDIVGTP-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)C)c1ccc(C2CC2)cc1	2068816229	GWGFMMXFQRLBIO-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H]2CCC23CCC3)CCC1	2069338009	RNSBSROEXHSLCQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CC(=O)C2(CC3CCC3)CC2)CCC1	2069567884	XRYRFELRWGRVBU-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCCc1ccc(N[C@H]2CC[C@@H]2C2CCC2)cc1	2071785833	KBYWPTYIGALVRU-SJORKVTESA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@]23CCCC[C@@H]2C3)C1	2074027290	ZTBUFDDOUDYQLE-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@]12CCCC[C@H]1C2	2074115367	XLNFXEHMGZKISM-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@]12CCCC[C@H]1C2	2074115744	ZQVLXDJDAANGNK-VYDXJSESSA-N	248.410	4.886	0	10	BJAE	
CCC1(CC2(N)CCC3(CCCCC3)CC2)CC1	2074630237	XDBNFHRWNGVTOC-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
C1=CC[C@@H](CN2CCCCC23CCCCC3)CC1	2075168724	UZWVVHMSYFYXPH-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
C1=C[C@H](n2ccnc2C2CCCCC2)CCCC1	2075406974	FJMZDYLBPOPZEL-HNNXBMFYSA-N	244.382	4.602	0	10	BJAE	
Fc1ccccc1N[C@@H]1CCC[C@H]2CCCC[C@@H]21	2081139421	CILGMIFZFGCNLK-VNHYZAJKSA-N	247.357	4.597	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NCC=C2CCC2)CC1	2081673897	ARQZMUVPYFLATP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)[C@H]2[C@@H](CCCC23CCCCC3)[C@H]1N	2083274288	YIQAIFMMDISGEL-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C[C@H]2CCCNC23CCCC3)CC1	2083814136	LUOZTTOQZPBQJY-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)N1CCCC12CCC(C)(C)CC2	2213110869	MEYPVIPKFSXMEV-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
C[C@H](CCCCCCC1CC1)[C@@H]1CC[C@H](N)C1	2213576738	UFJTYDKPWXCXSL-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CCCCC2CC2)CC1	2214572512	DVHPQTDSKMYCEZ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCSc1ccccc1NC[C@H]1CC[C@H]1C	2214951950	QORWLNYDBNNGMY-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
CCCCCC[C@@H](NC)C1(C)CC2(CCC2)C1	2215387698	SOETYNOIBOYBCO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CC(=O)[C@]2(C)CC=C(C)CC2)CC1	2215823202	FYFLBPOTDLNNAE-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@H]([C@H]1CC[C@@H](C)C1)C(C)(C)CCC	2216286230	SIDGJQCUKDLJSK-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CCCCC(F)F)NCCC	2216461423	ZIBLWSPJCIOXGN-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
CCCCCCC1(CN[C@H](C)CC)CCCC1	2217149228	HOLAQJBSJIRHSM-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218332084	GNLHXXZATSQADA-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCCCCC2CC2)o1	2218718652	PXKZFBVOIRKNMC-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CC1(C)C[C@@H]1CCCC1(N)CCC(C2CC2)CC1	2218888026	WQUJIKTXWMHZJJ-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
N[C@H](C[C@H]1CCC2(CCCC2)C1)C1CCCCC1	2220300801	GTAUYUJSOGEZEG-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2C[C@H](C)CN[C@@H]2C)CC1	2220374082	CHXZZALLABCTGT-FZKCQIBNSA-N	249.442	4.537	0	10	BJAE	
CC1(CN[C@]2(C)CCCC2(C)C)CC2(CCC2)C1	2221016448	OEDLJZSLINAPLS-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC[C@H]1CC=C(C)CC1	2221668072	NVBHRPIWJCHWRJ-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@H]2CCCC23CC3)C1	2222254203	AWTZSCXSLKCKQS-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
N[C@@H](C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCCC1	2222954974	OYCWRIAUWGZREC-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CCCC(=O)CCCC[C@@H]1CCC[C@H](C)C1	2242770501	PPXHCIJHVHHWBF-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](C)C(=O)CC[C@@H]1CCC[C@@H](C)C1	2242773859	YOVZMDNCUPZDSA-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(NCC[C@H]2CCC[C@H](C)C2)cs1	2242777672	QQTVHZSLLVEADM-WCQYABFASA-N	237.412	4.685	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H]1CCC1(C)C	2243144750	TUMDSEDZHVAYCA-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@](C)(N)CC1=CCCCC1	2243234217	IYUGLGLZUSQRLV-HNNXBMFYSA-N	223.404	4.565	0	10	BJAE	
CC1([C@@H](O)c2cc3ccccc3s2)CCCC1	2246853992	JTRNONDYWCQKLE-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CC1(C[C@@H](N)c2csc(C3CC3)c2)CCCC1	2248044725	NXGLFLAJLYPBKV-CYBMUJFWSA-N	249.423	4.596	0	10	BJAE	
CN[C@H](CCCCC[C@H]1C[C@H]1C)CCC(C)C	2248805853	CSDAZYIELOWJIG-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H]1CCCCC[C@@H]1O	2248819051	HKDHXKUCSBVBHN-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(CO)CC(C)C1	2250488089	ISOZMKLONVDIGE-FHERZECASA-N	240.431	4.638	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(CC2CC3(CCCC3)C2)C1	2254106133	IBBRHFOJPSLXBE-XOIINTDNSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNC12CCCC1CCC2	2257363660	ZQSVEXIQKTWSTO-JUVOFCAFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](Nc2cc(C3CC3)ccc2F)C1	2259125196	DZJQRQFWVORCHA-CYBMUJFWSA-N	247.357	4.694	0	10	BJAE	
CC1CC2(C1)CC(CC[C@H](N)C1CCCCC1)C2	2259551804	MVLGDMFFGDOQNZ-XRFBTWBJSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC(=O)C[C@]12CCCC[C@H]1CC2)C1CC1	2260582090	HSXVZPWPDAKQDB-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CCCN(CCC(CC)CC)CC1	2300688964	SLMYINHOWLCPQL-INIZCTEOSA-N	239.447	4.715	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1(C)CC(C)(C)C1	2300877731	UKQWMTIETQUNDB-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](O)CCC[C@H]1C[C@H]2CCC[C@H]1CC2	2301238334	GCQOCPXVDXRDIZ-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H](C)[C@@H](C)C(C)C	2301827430	BFIZQSIMMSMVGN-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](CC(=O)[C@H](C)[C@H](C)C(C)C)C(C)(C)C	2301907394	JCXWAKJZJRBONS-MGPQQGTHSA-N	240.431	4.946	0	10	BJAE	
CCc1cscc1N[C@H](CC)c1ccccc1	2302886660	ILODBGIJLFRJGY-CQSZACIVSA-N	245.391	4.874	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CC[C@H]1C(C)(C)C	2303395058	NLUFHCYSJREZFG-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)C[C@H]1CC[C@@H]1C(C)(C)C	2303465939	RAIWHRFYIUVFAJ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC[C@H]1CC[C@@H]1C(C)(C)C)NC	2303472355	PQXDWQFNRGOXJB-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC[C@@H]1C[C@H]1CC	2303587590	IWDVMOXGPPMQLT-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
c1sc(CCC2CCC2)nc1C1CC2(CC2)C1	2304394530	RQHMUMVEOANNHO-UHFFFAOYSA-N	247.407	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1c(C)cccc1C	2307892537	FCLPUKUUZKSNMD-LSDHHAIUSA-N	233.399	4.520	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2C[C@@H]2C1	2308125337	DUWCHCQZYSDJAC-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@@H](C)CC1CCC1	2313600847	UIUFQOXMQORDAY-ZQIUZPCESA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC(C(=O)C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316877898	JJDCWUDIYLJDLU-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCCCC1	2316880213	IHMBHVCVGYTPPC-XGBSXSJOSA-N	249.442	4.610	0	10	BJAE	
O=C(CCC1=CCCCC1)CC[C@H]1C[C@H]1C1CC1	2317938462	JDLLWZHLDIEKCL-RDJZCZTQSA-N	246.394	4.662	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@]12CCCC[C@@H]1C2	2317967137	WBLOVELDMUCMED-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C)c1ccc(CCCC(C)C)cc1	2318388915	HQSPWMNLDUIYBJ-OAHLLOKOSA-N	247.426	4.726	0	10	BJAE	
COc1ccc(CCCC2=CCCCC2)cc1C	2318570024	UCKINIBBRQLIFL-UHFFFAOYSA-N	244.378	4.827	0	10	BJAE	
C[C@]1(C(=O)CC[C@H]2CC[C@@H]2C2CC2)CC=CCC1	2319742161	UTTZQLLXZDWEND-INMHGKMJSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)C2CCCCCC2)CC1	2320401674	KZYPJOLMFZUVJZ-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CCCC1CC([C@@H](N)C[C@H]2CCC(C)=C(C)C2)C1	2320424217	QLYBLONVBYQQKX-XGHPGWEVSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](C=C1C[C@H]2CC[C@H]1C[C@@]2(C)N)CC(C)(C)C	2327763040	XSEPBOHKFDARBC-YOKBYHGQSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(C)cc1F	20371404	ZEJBVTYRXFQJDG-AAEUAGOBSA-N	237.362	4.761	0	10	BJAE	
CCc1cccc(NC2CCC(CC)CC2)c1	21040298	ILGVZKIKFOGKEE-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CN[C@H](CC(C)C)c1c(C)c(C)c(C)c(C)c1C	35467691	LNPPGYRGJMAWLC-MRXNPFEDSA-N	247.426	4.535	0	10	BJAE	
CCCN[C@@H](c1ccc(C(C)C)cc1)C(C)(C)C	37506491	GWXGTSOOMDYFEM-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
CCC[C@H](N[C@H](C)c1ccco1)c1cccs1	49541057	XKENULSTLHZSIZ-NEPJUHHUSA-N	249.379	4.533	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)c1cccc(C)c1C	68848771	ZJYDPSQRRJNCCJ-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(SC)cc2)C1	71104975	NURONCWVRLQIIW-GXTWGEPZSA-N	249.423	4.789	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@@H](NCC)C1CC1	80419934	MCGOAAXJKMBKAJ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@H](C)[C@H](C)C2)c1	84981995	VQQRKFQFTMHNCG-NWANDNLSSA-N	231.383	4.540	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCC[C@H](C(C)C)CC1	87187784	YEUFXTROBTZOMB-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C)c([C@H](O)C[C@@H](C)C(C)(C)C)c(C)c1	111653793	IFEPDCXDNOTUTL-HUUCEWRRSA-N	248.410	4.718	0	10	BJAE	
CCCCCCc1ccc([C@@H]2CCC(=O)C2)cc1	148597647	BBTKKBPZGQVUJW-MRXNPFEDSA-N	244.378	4.646	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@@H](C)C1CCCCCC1	150056885	FHWALONHWKNCOX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@@H](O)CC2CCCCCC2)c(C)c1	162135460	RVBDGOGHUNDCKZ-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
Cc1ccc([C@H](N)C2=CCCCCC2)cc1Cl	203414927	BIENMHMRBXLSKD-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CC(C)c1cccc2c1NC[C@H](C(C)(C)C)S2	214913180	FJYAEQCFPBDGAZ-CYBMUJFWSA-N	249.423	4.742	0	10	BJAE	
C=C/C=C/c1ccc(-c2ccc(C)s2)s1	222838891	UDVRUDAOZHNOLY-SNAWJCMRSA-N	232.373	4.984	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(CO)CCCC1	225338307	YLBSGOYTMPYRCG-HNNXBMFYSA-N	240.431	4.782	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCC[C@@H](CC)C1	226985551	IUDFFHHFMRTTOG-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCC[C@@H](C(C)C)C1	230986427	XHRGVIUFRSHULK-HUUCEWRRSA-N	231.383	4.622	0	10	BJAE	
CCCC[C@@H](CC)[C@H]1CNc2ccc(F)cc21	232996724	CBCJSTDIPDKXJV-BXUZGUMPSA-N	235.346	4.551	0	10	BJAE	
CCC[C@H](C)[C@H](O)[C@@H](c1ccccc1)[C@@H](C)CC	233352597	LSAMKZNYMKTEFP-DIECFANBSA-N	248.410	4.613	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC1(C)CCCCC1	233903949	JQYVPWKFEOJICX-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(C[C@@H](C)CCC=C(C)C)[nH]1	238273252	SFOPMVKLEHMZFZ-ZDUSSCGKSA-N	219.372	4.502	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1CC[C@@H](CC)C1	251243843	AHCJJURSRIDMRC-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2C)CC1	251267295	CMXHKRUEXITLNJ-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@H]1CCC[C@@H](CC)C1	251358514	RWVWVDDPNCJRPQ-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	251855709	SFLAVUBTWUWBFV-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C)(C)CNCC1CCCCCCC1	302281463	JICZEAFGOCKXMK-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)CCC1CCCCC1	302473203	ZOYKYHPXVSEUNS-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
Cc1c(Cl)cccc1C(=O)[C@H](C)CC(C)C	309143234	BSGJYKTUWURICT-SNVBAGLBSA-N	238.758	4.513	0	10	BJAE	
C[C@@H](C[C@H](O)C1CCCCC1)C1CCCCC1	310362610	UWRJJMPCAIVTOQ-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(OC[C@H](C)C2CCCCC2)cc1C	311085801	PNPFGORWFKHINQ-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
CC(C)NC[C@@]1(C2CCCCCC2)CC=CCC1	317326220	POHJSRLYGWVDRS-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)NC[C@@]1([C@@H]2C=CCCC2)CCC[C@@H](C)C1	317366875	JJSRTWWLWCYESO-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CNC)CC=CCC1	317585098	NUCCVUUAAMLRPN-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCOc1cccc2c1ccn2[C@H](C)[C@@H](C)CC	319758975	DGPKRENFXIASOF-QWHCGFSZSA-N	245.366	4.647	0	10	BJAE	
C[C@H]1CCC[C@](O)(CC2CCC(C)(C)CC2)C1	379960207	KQACWSJUBBQUEY-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)C1(C)CCCC1	379995419	VTLOHSVEJAEMBS-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCCC1(C)C	383091173	CCXSNMUSLWLNFK-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1CCCCCC(C)C	383409556	WKGOXVAKKBBJEO-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC([C@H](O)C(C)(C)C(C)(C)C)CC1	383731299	AUEOMYYBPPQGEV-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CC(C)NC[C@@H](C)CC[C@H](C)C1CCCCC1	384051086	RTDNBKPIAQCCJY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@]1(O)CCCCC1(C)C)c1ccccc1	384340807	XLFWLJATTNKVID-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1c(F)cccc1Cl	384660186	VVHVOYCSVSFRCP-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
CC[C@H](Nc1ccc(F)cc1)c1cccc(C)c1	385176657	ZTPAPUBUBXQYOE-INIZCTEOSA-N	243.325	4.697	0	10	BJAE	
Cc1cccc([C@H](N)C[C@@H](C)C2CCCCC2)c1	386210124	MSLPXKRQGSYIES-RHSMWYFYSA-N	245.410	4.601	0	10	BJAE	
CC(F)(F)CCCNc1ccc2ccccc2c1	390014742	RBYJQHWVYDOALW-UHFFFAOYSA-N	249.304	4.687	0	10	BJAE	
C[C@@H]1[C@@H](N[C@H]2CCCC23CCCC3)CCC[C@H]1C	392748933	BNUYRNQYTGWEFO-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC1([C@@H]2NC[C@H]2C2CCCCC2)CCCCCC1	394654033	AQPJGMTWEAMTOO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC/C(=C\C(CC)(CC)CC)CNCC(C)C	395134640	UHBGSNYGNFLFLR-RVDMUPIBSA-N	239.447	4.785	0	10	BJAE	
Cc1cc2c(C)c(C(F)(F)F)ccc2s1	396199830	PMCXBSOSZUIWSD-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCOc1cc(C)c(C(F)F)c2sccc12	396255949	XJYOOONYTCGDJD-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1ccc(C)c2cc(C(F)F)sc12	396403759	IWUFBQRBJWRRSA-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H]1CCCC1(C)C	401012930	CCPBEBQDSVRKHF-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC1(/C=C(\CNC(C)(C)C)C(C)C)CCC1	686136839	JLMPHMMNSVVDLY-SDNWHVSQSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cccc(C(C)C)c1	688899694	MQIRDESSNSRJSX-CJNGLKHVSA-N	233.399	4.636	0	10	BJAE	
CC(C)CC(C)(C)CN[C@@H]1CCCCC[C@@H]1C	691048428	RQWKSIGLWPFPJS-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCCCC1CCCC1	691091060	UFTVJNUJZDYRCX-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CCC)NC1CCC2(CC1)CC2	695997411	KGOFMUKCBSAOFI-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@@H](C)C(C)(C)C	696582987	UQJGPIPGWIUSIN-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCc1ccccc1C(=O)CCC(C)(C)CC	696671449	HZDFMQJDURPEJO-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCCCC[C@@H](N[C@H]1C=CCC1)c1ccccc1	698235891	DRHPPKYGYXXQIN-DLBZAZTESA-N	243.394	4.616	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@H]1C[C@H]1C(C)(C)C	699993105	BPTSMEDOLBVHHB-OAGGEKHMSA-N	246.394	4.526	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C(C)(CC)CC	701164310	AHRSMBXCYPUKCD-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc2cc([C@H](O)CCCC(C)C)oc12	703970158	SPIHOEOQFIBGLG-CQSZACIVSA-N	246.350	4.601	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC(CC)(C1CC1)C1CC1	704655676	JOWWWSZZHDPTEN-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
CCC(NCC1(C)CCCCC1)(C1CC1)C1CC1	704694077	QEDUHAJBNOQBHA-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC[C@H](C)C1)C1CCCC1	704914865	PXUZRSARPZYFSA-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC23CC3)cc1Cl	706599774	BFNMJSDQCULCEB-CQSZACIVSA-N	249.785	4.647	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CC[C@@H]2CCC[C@H]21	707862578	UQGNYGSMVCSVQN-IACUBPJLSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)[C@@]12CCCC[C@H]1C2	709101117	YORDCUAANPRHDP-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(CNC(C)(C)C)CC1	709105828	OCEVTZFVZUWZBB-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)(C)C)C1(CC)CC1	709127019	KLDAGGWDFBHDOX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(O)CCCC12CCC2	709133151	YIPIZUKFLPPXQL-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)C[C@H](C)CC(C)(C)C	709190720	SHBMJPNCJXNELF-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@@]12CCCC[C@H]1C2)C1CCC1	709249249	ROLHLTSFPRBCLC-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
c1cc(C2CCC2)ccc1NCCCC1CC1	709653721	XWXVHKJECUPXOT-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC[C@H](CC(=O)c1cc(C)ccc1C)C(C)(C)C	711093088	IOAGXKXJJDBFTB-CQSZACIVSA-N	246.394	4.949	0	10	BJAE	
CC[C@@H](C)C[C@H](O)C1CC(C)(C)CC(C)(C)C1	711146699	CEVYARZHWMAOTN-OCCSQVGLSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C[C@H](O)CC1(CC)CCC1)C(C)(C)C	711178991	KDDUKOBKMHNVNR-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCCCCC(C)(C)CNCC(C)(C)C(C)C	713165637	QPSZSAMRCQBWIX-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CC(C)(C)C(C)C)C1	713228364	PGVOBWMULDUFJJ-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
CC(C)(C)CC(=O)C1CC(C)(C)CC(C)(C)C1	713341182	BONBIGRICGRAKV-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@H]1CCCCC1(C)C	713368982	RTFLNBVKHHONFH-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
C1CCC(CCN[C@@H]2CC[C@H]3CCCC[C@@H]32)CC1	714317373	XCZSLFGBGZIUMP-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C/C=C/C[C@@H](C)c1ccc2c(c1)CCCC2	714539324	GNAMXQVOBULZOO-ITDFMYJTSA-N	214.352	4.635	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1ccc(F)c(C)c1	714540213	ORXKWYOVEWIQQR-KTRBRXNASA-N	220.331	4.984	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCC(C)(C)C[C@@H]1NC	717468317	IKBWUKLLHVSWKY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CC(C)(C)C1)C(C)(CC)CC	723553693	VIQJCUUMHXZQOI-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
O=C1CCC2(CCCCC2)c2cc(Cl)ccc21	757190740	ZNKSPQLSAGUNKZ-UHFFFAOYSA-N	248.753	4.518	0	10	BJAE	
CCC(CC)(CC)SC1CCCC1	1613708055	GQCQFCXHVNMNCB-UHFFFAOYSA-N	200.391	4.631	0	10	BJAE	
Cc1cc(C)cc(N(C)CCC2=CCCCC2)c1	1652322457	ZAMPRMSWTHUBID-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1CCC(C)(C)C1	1902292607	IIJNHISQZKPJBK-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1(C)CCCCC1	1905373068	CCWILPHMAUNPSE-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1cc(C)c(C)s1	1905380656	HCIOCJDGFLFJNO-OLZOCXBDSA-N	240.412	4.615	0	10	BJAE	
CNCC(=C[C@@H]1CCC[C@H](C)C1)C1CCCCC1	1907324670	SKUQORXFEMYKHN-LSDHHAIUSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H]1CCCCCCCC1=O	1908594745	HRBACHZVNTWDHN-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC1(O)CCCCCCC1	1910697293	XALGSTXIIKINRZ-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CCC)C[C@H](C)CC	1910742514	IIQIVRZCEGGDMJ-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(CC2(N)CC3(CCCC3)C2)C[C@H](C)C1	1912708790	RSTNEFJBFWMCDH-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
C1CCC2(CC1)CC[C@H](NCCC1CCCC1)C2	1915863984	BKYBGMXWTDOFRQ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC3(CCCC3)C2)cc1C	1916425089	BILZAXYBYBUILM-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
Cc1cc(N[C@@H]2CCC3(CCCC3)C2)ccc1F	1916437451	LPALDXXGECAMHG-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
CCNCC(C)(C)CCCC=Cc1ccccc1	1916457900	FKYBIVCVHSTGBJ-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CC1(C[C@H](N)[C@H]2CCCC23CCC3)CCCCC1	1921579182	QQIPFXPOBOFPAY-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@@H]1CCCC12CCC2	1921587554	XACMFSWJJPAROX-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@H](C)C1CCCC1	1924077662	GLFRICSMZCZGGX-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN[C@@H](CC)c1cccs1	1926146830	YLMCZEKZPDCBEZ-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
C[C@@H](CC[C@H]1C=CCC1)COCc1ccccc1	1932592946	NQSXKBQMMILTTJ-HOTGVXAUSA-N	244.378	4.586	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)c1cc(C)cs1	1939458592	NIDWQNBHUGFIKH-TZMCWYRMSA-N	240.412	4.552	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@]1(O)CC1(C)CCCCC1	1940408268	LFOVLVFCISKLHV-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](O)(CCC[C@H]1CC1(C)C)C1CCC1	1940874295	FWLQZJUMLZYYTE-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CCC[C@@H]1CC1(C)C)NCC	1940877014	OGJRYHPGJMPUTF-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1csc2ccccc12	1941263211	NJSNJHZFAPSQEU-IAQYHMDHSA-N	247.407	4.583	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@H]1CCCC[C@@H]1C)C(C)C	1941268554	HJBCKAKHPDXHNV-KKUMJFAQSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@H](CC)C(C)C	1941273061	PLYPTLZSHJBMLQ-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)CNCC1CCCCCCC1	1941357444	KSHGVZITWSOKOU-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C1CCCCCC1	1941585465	GHRABUOXBFHMJT-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](CC(=O)C(C)(C)C1CCCCC1)C1CC1	1944643427	YQEMMCYFGSFGJM-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC1(C)C)C(C)(CC)CC	1945742099	JYKUUFJEEQWZRX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C1CC(C)(CC)C1	1948412146	CYLKNBKLWBMPGI-JWMHWRSXSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@]2(N)CCC(C)(C)C[C@@H]2C)CCC1	1948981348	QBPOENPBHALMPE-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(CO)(C[C@H](C)CC(C)(C)C)CC1	1950912587	YUSXXZASAFURDU-NPCAHTBFSA-N	240.431	4.638	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@H]2CCC[C@@H](C)C2)CC1	1950929631	INSREPNGICQLDU-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
C1CCCC(CCNC2CC[C@H]3C[C@@H]3CC2)CC1	1967833634	DKDJPDKCQCPWMP-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Fc1ccccc1-c1nc(C2CCCC2)cs1	1968736266	KUANPXHXTUAYJI-UHFFFAOYSA-N	247.338	4.607	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H](C)c2ccccc2)C1	1969249937	KJJAYLHUHVCKSX-OIISXLGYSA-N	245.410	4.552	0	10	BJAE	
CCCCCCC1(N)CC(C)(C)C(C)(C)C1	1976762989	HBEPAWRPPIFDET-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](N)CCC)CC1	1980313565	ADPBPGNKPQCFDS-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)CC(=O)C1(C)CCC(C)(C)CC1	1983315075	WPVBREJWZNOGFY-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCCCC1(COC)CCCCC1	1984613967	GCBMVQGXOCJHED-ONEGZZNKSA-N	224.388	4.720	0	10	BJAE	
CCCC1(CC[C@@H](O)c2cccs2)CCC1	1988457665	PPZOPNGIWMNXMP-GFCCVEGCSA-N	238.396	4.532	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1CC[C@H](C)CC1	1989839202	OJWHKXOJBKYITQ-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H](CC)C(C)C	1990092071	UZDQZKJWNFDKHZ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC[C@@H](C)C(F)F	1996095660	WKPRGHAJFRPAPR-NEPJUHHUSA-N	248.357	4.699	0	10	BJAE	
CCCSc1ccccc1N[C@H](C)[C@@H]1C[C@@H]1C	1996564643	SKRXBOUZHJGALP-YNEHKIRRSA-N	249.423	4.645	0	10	BJAE	
CCC(C)(C)[C@H](C)NC1CC(C)(C)C(C)(C)C1	1997808493	QYKFNAWMEVYYHU-LBPRGKRZSA-N	239.447	4.616	0	10	BJAE	
CCCNC(CCC1CCC1)CCC1CCC1	1998032701	SKOYQVIOAXQJTD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@]2(N)CCCC(C)(C)C2)C1	2000063944	WTDVXKDDYPTANG-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC1(C(=O)CC2CCCCC2)CCCCCC1	2000218404	KIZVOVIEMQDLAZ-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H]1CCC1(C)C	2000378799	IMUAFYJCDCTDJO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CCC1=CCCCC1)CNC	2000509098	LIEBGSUXVUDBKH-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)C[C@@H](C)C1CCC1	2000515873	UARVGUCZOGWYEZ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@H]1[C@H]2CCCCC[C@H]21	2002753592	RXMKPVWDHDHVJP-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC([C@](C)(N)CCCC2CC2)CC1	2002927629	UKOGHZZOXSKMFC-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)[C@@H]1CCCC(C)(C)C1	2003025778	ZUPYVFCEOUVOQN-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@H]1CC[C@H](C)CC1	2003067826	YDTOWMUTDYFMBC-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2CCCCCCC[C@@H]2O)C1	2003119465	VNUUVCFQEHMDMT-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(CC(=O)CC2(C)CCCC2)CC1	2003180298	ZJVAPXPMJNHLNP-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H]1CCC2(CC2)C1	2003200625	YWBDSURSFAAWLR-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CC1CCC2(CC1)CC2	2003217439	JXVWSQBWZUOCLR-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@](C)(N)CC1CCC2(CC1)CC2	2003274901	HPPLIHPITPYGJR-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CC[C@H]1C=CCCC1)c1cccs1	2003683825	AXFUDKQYBIFVPU-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)C1(C)CCCCCCC1	2004937625	RNKKLHVZJCTJSH-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(CN)CCCCC1(C)C	2005588727	HERJTLXRWKKEFV-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
N[C@H](C=C1CCCCC1)CCC1CCCCC1	2007936498	FUAJCJDIFVXXCO-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)CC1(O)CC(CC)(CC)C1	2009298308	HQAZTHSOAJLODE-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@@H](C)C[C@@H]1NCCC	2009618596	DGVFPTPUHOZOFZ-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@H](N)CC[C@]12CCC[C@@H]1C2	2011012793	ZIESDDLLAUKQIH-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCC[C@H]2C[C@@H]2C)CC1	2011571451	FOFGHERJOQWZLC-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccccc1NCCC[C@H]1C[C@H]1C	2011583209	GYLCYGLDTDLVPW-KGLIPLIRSA-N	231.383	4.658	0	10	BJAE	
CCNC[C@](CC)(CCCC1CCC1)C(C)C	2012426262	MCISPAFDIBWTOM-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CN)CC12CCC(CC1)CC2	2012835624	YQVNVOXHHKUYPP-HWOWSKLDSA-N	237.431	4.502	0	10	BJAE	
C[C@]12CC[C@H](Nc3ccc4sccc4c3)[C@@H]1C2	2013042499	OKHQZTMXJDZKDK-KCQAQPDRSA-N	243.375	4.502	0	10	BJAE	
CCCCC1(N)CCC2(CCCCCC2)CC1	2013211749	OJGLYRDOYYMBRW-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)C(C)(C)C1CCCCC1	2015385104	BAOYFMFBDNPSGV-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCCC1(C[C@H](CCC2CCC2)NC)CCC1	2015640955	YMPBSHOYTPUSKN-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H]2C2CCC2)c1Cl	2017041907	FBTQSHMIJCUSOP-QWHCGFSZSA-N	249.785	4.639	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2(C(C)C)CCC2)C1	2017140378	GNVQTTCEIRDEHM-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CNC12CCCCC2	2017314768	AOBJHGSAAOORCI-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)[C@H](C)CC(C)C)CC1	2017663365	SAUOKXQTZRALHP-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CC)[C@H](C)CC1CCC(CC)CC1	2017722561	QLQHNBZIIXQCEU-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCC[C@@H](C)C2)CC1	2017730958	MODNMZQAYHZOLC-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CC[C@H](C)CC2=O)CC1	2017771877	YXRRBUKYUJJPCH-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@]2(C)CCC(C)(C)C2)C1	2017914391	UFRZMLUXFSJBHU-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@](C)(O)[C@@H]2CCC[C@@H](C)C2)CC1	2018970542	QMUCYLANHICQNE-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC1(C(C)C)CC1	2019190634	MTFYABGRSDGYKH-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CCCCCN(C(C)C)[C@H]1CCCC[C@H]1CC	2019202204	WIZTZBOUSLEHOP-CVEARBPZSA-N	239.447	4.856	0	10	BJAE	
CC(C)CCCCCN1CCCC[C@H]1C(C)C	2019345064	WVDLZPIUNNACHH-INIZCTEOSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@@H]1C=CCCCC1	2019504473	AGFRRAWUQCDDFA-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1C[C@@H]1C1CCCCC1	2022376162	KHXCBRLHRDWTCC-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)C1(C)CCCCCC1	2022484535	FVEVVFPTMFOENM-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
O=C(CC[C@H]1C[C@H]1C1CCCC1)c1cccs1	2022556319	FBEUJHNMYXLKFK-STQMWFEESA-N	248.391	4.537	0	10	BJAE	
CCC[C@@H](CN)CC1CC(C)(C)CC(C)(C)C1	2024089488	QJGARVNHSJZBRV-CYBMUJFWSA-N	239.447	4.604	0	10	BJAE	
FC1(CCNc2cccc3ccsc23)CCC1	2025259041	CTYVJPOVRNJSSW-UHFFFAOYSA-N	249.354	4.596	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)c1ccccc1	2027313928	KQNTXQSWQOEFSG-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CC[C@@H](C(=O)c1cccc(C2CCC2)c1)C(C)C	2028258849	VXJFDSOCKBGJRV-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
O=C(c1ccc(C2CCCC2)cc1)C1CCCC1	2031752503	OSKZSFURGCBWIM-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
C[C@H](CC1(O)CCCCCCC1)c1ccccc1	2035548741	JJNXVINYJKQEAW-OAHLLOKOSA-N	246.394	4.656	0	10	BJAE	
N[C@]1(CCC2CCCCC2)CCCCC12CCC2	2035921715	DNFIXWAJVPBCRQ-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC(C)(C)NCC1(C2CC3(CC3)C2)CCCCC1	2036177991	PTUQFTHRQOOLOK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C1CCC(N)(C[C@@H]2CC23CC3)CC1	2037120639	TVPWLVYMPYKUQU-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@H]1CC12CCCCC2	2039078881	MCNSBJTZDQQZFP-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@H]1CCC[C@H](C)CC1	2039363788	RZESBBXUGTXNFL-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(N[C@H](C)C2(C)CCCCC2)cc1F	2039861966	JTPZGWTVBFUSHP-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CC(C)NC[C@@H]1C[C@]12CCCC1(CCCCC1)C2	2040764493	CYKPLUJDEMDKLF-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC[C@@H]2C=CCCC2)CC1	2041541754	SOOUKDZYWJXTAG-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@]2(C)CC=CCC2)CC1	2042071756	JMYBZHBIBRYOIO-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](N[C@H](C)CC1=CCCCC1)C1CCC1	2043187986	PVFWVAWVRXDBNN-RHSMWYFYSA-N	249.442	4.824	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@H]1N[C@H](C)CC1=CCCCC1	2043195121	RMZMICDMVXRPGQ-LZWOXQAQSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2CCC=CCCC2)[C@@H]1C	2045318200	SNYJWNJYOCRMDU-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)C[C@H]1CC12CC2	2045982527	TZINTRSOGBURRU-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@H]1CC12CCCCC2)CC1(C)CC1	2047015877	LPDLZFXSXRYJLO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N)(CC2[C@H]3CCCCC[C@H]23)CC1	2048445538	BKLYXDMALQWVJJ-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@H]2CC23CCCC3)C1	2049527444	BZUPADZOMADAQQ-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CC2)[C@H]1CCCC(C)(C)C1	2049542405	DGEJIDXEVFASKF-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@]1(CC2CCC3(CC2)CC3)CCCN1	2049853516	HFTXNFHWCZFEKW-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@H]2CCCC3(CC3)C2)C1	2049947935	KUXLBPQXPMYDSC-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@H]1C)[C@@]1(C)C=CCCC1	2049996811	JJEWYQHGYDAAMO-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1[C@@H](O)CCC1CCC(C)CC1	2050442679	XUJIXDHIULAVAA-PGEKIEPBSA-N	246.394	4.635	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CCC12CCC2	2051404529	RTTVUEKZLATVPY-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@](CNC(C)(C)C)(C2CC=CC2)C1	2053695043	RKRKKMLNAVFMFJ-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H]1CCC[C@@H]1C(C)C	2056446888	ARFNBYULVMTTHO-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@@H](N)C1=CCCCCCC1	2056451758	PKIMMUIAHRXSIE-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@H]1CCC2(CC2)C1	2056457663	QPRWIYXMKDPWEU-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
O[C@]1(C=C2CCCC2)CCCC2(CCCCC2)C1	2056853717	RAXRVLYPWYWVJX-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C1(C)CC(C)(C)C1	2056875389	GKQBQIGZJDFZND-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=C1CCCC1)c1cccc(C)c1	2056877520	AKDWDEPGEJKQMP-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1CCC[C@H]2C[C@@H]12	2057355978	ABQXTXNNEILTHF-ZOBUZTSGSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCCCCNCC=Cc1ccccc1	2059111085	HGWHWAXTHIXSAP-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C12CCC(CC1)C2	2059180787	NOOFCTCPQWUSIZ-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1cccc2ccccc12	2059207036	LBDDNQZGFPNXBW-RCAFFNEUSA-N	239.362	4.586	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12C[C@@H]1CCCC[C@@]1(C)C2	2059468757	CNFWAOJOKVDUFK-LUKYLMHMSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)[C@@]1(C)CC1(C)C	2061091559	JZVMTZASQZOKPO-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC([C@H](N)C2=CCC(C)(C)CC2)C[C@H](C)C1	2061095120	KZCVVIBCJIQERH-XJKCOSOUSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2CC(=C3CCC3)C2)C1	2061701665	MOMWMTQAAGVFCG-WFASDCNBSA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CC2)C1)[C@H](CC)C(C)C	2061731986	ZEBRWKCISVIXPH-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
O[C@]1(C[C@@H]2C=CCCCC2)CCCCCC12CC2	2062032701	VSFHCSNBPWWEJL-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1C)c1occc1C	2063671255	JILNEMFLYBZMJE-AWEZNQCLSA-N	243.350	4.768	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068719201	MQPUUXPHUSBPCC-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)c1ccccc1C1CCC1	2068815485	AGJRKXQCXHKJSX-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CC(C(C)C)C(C)C	2068841523	GNCATQARUZXRLR-MRXNPFEDSA-N	248.410	4.655	0	10	BJAE	
Cc1cccc2c1ccn2CC(C(C)C)C(C)C	2068981008	HTXPYWIOXZYBOO-UHFFFAOYSA-N	243.394	4.878	0	10	BJAE	
CC(C)C(C[C@@H](C)C(=O)c1ccccc1)C(C)C	2068990689	HCHRKFJSHLXPMP-CQSZACIVSA-N	246.394	4.824	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C1(CC2CCC2)CC1	2069584340	BCHCWDWTAVSBQY-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(N)(C1CCCC1)C1CCCC1	2070964139	UBPQLIUYGUQQAP-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@@]23CCC[C@@H]2C3)CC1	2070969237	ZFLVMQWTLUSPTH-OIISXLGYSA-N	249.442	4.502	0	10	BJAE	
CCCCC[C@@H](CC1CC2(C1)CC21CC1)NCC	2072235582	ALTLDEZBVKPHGH-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNC2CC2)CCCC[C@H]1C	2072407105	CXHMUBCFOHKPLD-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNC(C)C)CCCC12CC2	2072411885	VMBHQKUCRSHACU-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@@H]2CC23CCCCC3)CC1	2072803594	JUTCILIRTGXGGQ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@@]2(CN)CC=CCC2)CC1	2072808710	IAHIWNHGSOXRDJ-OFLPRAFFSA-N	249.442	4.668	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@H]2CC[C@H]3C[C@@H]2C3)c1	2077262540	AZEBKWPWHSDDKF-BJJXKVORSA-N	241.378	4.555	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1C[C@H]1C1CCCCC1	2079531501	RKRIPDIFLUIPCB-QZWWFDLISA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H]2C[C@@H]2C2CCCC2)c1	2079640143	LLMCCUVEQWBORX-DOTOQJQBSA-N	243.394	4.542	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2C[C@H]2CCC)CC=CCC1	2079669647	ICKUXYQGIXFMBV-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)c1ccccc1C1CC1	2079853006	TXZTULYPVVWMJM-KBPBESRZSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)C[C@@]23CCC[C@@H]2C3)C1	2082976124	OLUDVUHSUTYEMU-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CNC[C@@]1(C[C@@H]2CCCC(C)(C)C2)C=CCCC1	2082986243	LHWYMUYHBGJPQW-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC1CCC([C@H]2CCCNC23CCCCC3)CC1	2083812753	SOICPOOKYCMFGI-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@H](C)CCCCCC(C)C	2212583217	DGYZAMJEWZWGNP-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CCCCCCC1CC1	2213577373	ZTSMYKXIZQXIPB-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
O[C@H]1CCCCCCC[C@@H]1CCCCC1CC1	2214570067	QLTKBAWCUAGYAE-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CC(C)c1ccc(NCC(F)F)c(C(C)C)c1	2214911294	VDKUHHFIYPEAPP-UHFFFAOYSA-N	241.325	4.610	0	10	BJAE	
Cc1ccsc1C(=O)CC1(C)CC2(CCC2)C1	2215433266	OHYFRBQDELSIBC-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CC(C)C[C@@](C)(N)CCCCCCCC1CC1	2216883079	GSWOBFQTZSSUTF-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CCN[C@@H]1CCCCCCCCC1CC1	2216890431	GDYXTVJATDMECW-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)C)[C@H](C)[C@@H](C)CC	2217126757	BNRJPJFFFWGDQQ-JONQDZQNSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@](C)(CN[C@H](C)CC)C1CC(CC)C1	2217154241	RZCGUDKFMNUJLT-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@](C)(CNC1CCC1)C(C)C	2217157790	VWBDUTPAUOIXKA-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@](N)(CC2C[C@H]3CCC[C@H](C2)C3)C1	2218357260	QDVMTHBQTUEONN-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@]1(N)CC1C[C@H]2CCC[C@H](C1)C2	2218357290	QKLFDLQRESUBTR-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
C(CCC[C@@H]1CCC[C@]12CCNC2)CCC1CC1	2218719193	WMSIANQTEJJJLG-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CCCCC1CC(NC[C@]2(C)CC=C(C)CC2)C1	2221637978	MAVLJNLFMKRKOL-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H]1CCC[C@@H](C)CC1	2221932806	QLSDKJMQIHMXTJ-IUODEOHRSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CCCC1CCC1)N2	2224124220	LJFJLXDJRPICJT-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)c1ccsc1C	2244779504	DGMHOPAROXBOEF-JSGCOSHPSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(F)cc1Cl	2244799628	BZFWLDSOPRIASA-SNVBAGLBSA-N	243.753	4.717	0	10	BJAE	
CC[C@H](C[C@H](O)CC1(C)CC(C)C1)C(C)(C)C	2246528509	ZUTDOLXXFIBBQE-IQXANGCESA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](CC)(CN)CCCC[C@H]1C[C@@H]1C	2247177935	ZRDBBPUVWISNCW-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
CC1([C@H](O)CC2=CCCCC2)CCCCCC1	2247490771	SJPYQUOEXJFOOI-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@]1(C)CCN1CC[C@H](C)CCCC(C)C	2250466580	GKZLZMHZWRKOSE-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@@H]1CC[C@H](C)C1	2250488235	KPRVDWIBWDPKIK-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@]12CCCC[C@H]1CC2	2251220195	XCTIPPZEADKNIM-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](NCC)[C@H]1CC(C)(C)CCC1(C)C	2251679968	YYCYSZAUCCVGTC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1[C@H](CC(C)(C)CC)CCC1(C)C	2251698012	QIQNXMOOQUZECA-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCC1CC(C)C1	2251773703	WREDDSDCNSNEBS-SLTAFYQDSA-N	238.415	4.988	0	10	BJAE	
C[C@@]1(C(=O)CC[C@H]2CCCCC23CC3)C=CCC1	2253856759	RLHAYZHKMYQSCW-GDBMZVCRSA-N	246.394	4.662	0	10	BJAE	
CC(C)C1([C@H](N)CC[C@@H]2CCCCC23CC3)CC1	2253865195	OQKQYDICZIWXFL-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2254936227	RRRPPOFCBMOKBP-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1CCC1(C)C	2255018597	PJXQEESDFUBRHV-OAHLLOKOSA-N	246.394	4.933	0	10	BJAE	
CC1CCC2(CC1)CC(N)(C[C@@H]1CCC1(C)C)C2	2255019955	WKNPOISAZHYWLB-ZFBLFJJNSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@H]1CCC12CCC2)CC1CCCC1	2255030415	ZDRDJIPGPTWTPL-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@@H]1CCCC1(C)C	2255143521	YRASECQXSGDBJY-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)cc(NCCCCC[C@@H]2C[C@@H]2C)c1	2257299920	PCZHFNCDMLLLAY-JKSUJKDBSA-N	245.410	4.932	0	10	BJAE	
CC(C)(C)c1cccc(NCC2(CCF)CC2)c1	2257887130	NSPICXDRULXFQK-UHFFFAOYSA-N	249.373	4.536	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cccc(C(C)(C)C)c2)C1	2257907436	JWDDLIHZXPNPQR-CJNGLKHVSA-N	245.410	4.975	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@@]12CCCC[C@@H]1CC2	2260491863	XBTFVTQYKFAWRZ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C(CCNC[C@@]12CCCC[C@H]1CC2)CCC1CC1	2260544920	SUGYNADMFZBQMZ-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CCC[C@](N)(C[C@]12CCC[C@@H]1CC2)C1CCCC1	2260651863	NTRUQCLGHYSPAC-OIISXLGYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@@]23CCC[C@@H]2CC3)C1	2260669191	HIZHDTKVZQAKMU-OIISXLGYSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](C[C@@H]2C=CCCC2)[C@@H]1N	2261442353	GKHJNVUUALIWNW-KFWWJZLASA-N	249.442	4.523	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@]12CCC[C@@H]1CC2	2298701553	MQYTVBLSHWZEBQ-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@H](O)CC=C(C)CCCC(C)C	2300892885	KAIIYZLITPQMGJ-OWCLPIDISA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](CC2CCCCCC2)N1	2301246891	KRJXTLYXYXSBRE-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CCc1cscc1NC1CCC(C2CC2)CC1	2302886590	VUOCSWJHNZGPMG-UHFFFAOYSA-N	249.423	4.691	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](CC1CC1)C1CC1	2303666976	AMXKIRHGDAACOK-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(C)CCC[C@]2(C)O)C1	2304395752	FBHYYHHTWFNAMR-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCNCCC=C(C)CC[C@@H]1CCC(C)(C)C1	2304411600	MAMVKHHPGPVQLP-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CCC[C@H]1c1nc(C2CC3(CC3)C2)cs1	2304457618	HWKTXTNKBCKNIJ-CMPLNLGQSA-N	247.407	4.704	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cc(C)cc(F)c1	2307750113	QXZKTOBCGLUVDP-GFCCVEGCSA-N	236.330	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1CCC(CC)CC1	2307832087	QGNOPRHQYGEMBA-BHDPWAOGSA-N	240.431	4.780	0	10	BJAE	
CCCCC1CCC(N)([C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309142042	BIOJBBGAWIWLSH-IZTSSTLKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CC[C@@]12CCC[C@@H]1C2	2310381906	KGCQASXTMIHLTA-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H]2C[C@H]2C2CCCCCC2)C1	2311538568	CVAJNQWWBAZBQM-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312915735	OOXAEMGXVNMIOO-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@]23CCCC[C@@H]2CC3)CCC1	2313292095	IKYHSBHPSZJHSP-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CCC(=O)Cc1cc(C)cc(C)c1	2316271463	QJBHNPXKWVDPJG-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CCNC[C@@]1(CC=C(C)CC)CCCCC12CC2	2316493625	YXKSGMKMNMDNCL-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC(=CCC(=O)C[C@H]1CC12CC2)CCCC(C)C	2316565021	NRXVULSZHUGYPK-HNNXBMFYSA-N	248.410	4.908	0	10	BJAE	
CC(=CC[C@@]1(N)CC[C@@]2(C)C[C@H]21)CCCC(C)C	2316566446	YCLRUJXMZXLUPQ-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@H]1CNCCC1=CC1CCCCCC1	2316868813	BCNHWEQEWXIFFG-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
N[C@@]1(CC2CCCCCC2)CCCCC12CCC2	2316884245	GYNPXQOILOGXGW-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
O=C1CCCCC[C@H]1C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317148763	PHQFFTACUOCUFU-WCVJEAGWSA-N	246.394	4.518	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@@H](C)[C@H](C)C(C)C)cc1C	2317830628	IUJXFWYKEDXEQA-VYDXJSESSA-N	247.426	4.540	0	10	BJAE	
O=C(CCC1=CCCCC1)CC[C@@]12CCC[C@H]1C2	2317936086	JSXQQLCONRFBKX-DOTOQJQBSA-N	246.394	4.807	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1[C@H]2CCCC[C@H]21	2317936686	POJKDLZTJWQOIK-BJWYYQGGSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1[C@@H](NCCCC2=CCCCC2)CCC[C@H]1C	2318530611	CENCXWYVETXHBR-VYDXJSESSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCCCC1CC1)CC[C@@H]1CCCC12CC2	2318876104	NMSHLZGNHRYZJU-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCC[C@@H](N)c1cc(F)ccc1C1CC1	2319176355	POVIMMKUNFBIET-MRXNPFEDSA-N	249.373	4.529	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CC[C@@H]2C(C)(C)C)c(C)c1	2320150980	BDLDLYKVALWOFN-GJZGRUSLSA-N	244.378	4.558	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CCC23CCCCC3)CC1	2320237650	MDWCRJSLHAQOAE-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)c2cccc(C)c2)CC1	2320337990	RHQQEOXSRVGNCL-DOTOQJQBSA-N	243.394	4.521	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1C[C@@H]1CCC(C)=C(C)C1	2320397592	MWMDCGSALYHKGB-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C[C@@H]2CC=CCC2)c1	2320513488	BCBUXCQWSNOSEK-PBHICJAKSA-N	243.394	4.556	0	10	BJAE	
CN[C@H](C1=CCCCC1)c1cccc(C(C)C)c1	2320525718	QIIBJLSKXWRTOO-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCCc1ccc(N[C@H](CC2CC2)C2CC2)cc1	2320616120	FXOWIGZKMKWOHY-QGZVFWFLSA-N	243.394	4.630	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1cccc(C2CCC2)c1	2320655042	HQYBXWKUYBIFCP-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(CN)CCC23CCC3)C1	2321603802	VWZMSTUFILRYCG-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CC(C)c1ccc2[nH]c(-c3ccccc3)cc2c1	1518246	KIFKIAJDWBCPSP-UHFFFAOYSA-N	235.330	4.958	0	10	BJAE	
CC[C@H](Nc1ccccc1)c1cccc(Cl)c1	20552420	MSFIHSQVWPDJHG-HNNXBMFYSA-N	245.753	4.903	0	10	BJAE	
CCC[C@H](N[C@@H](C)CC)c1ccc(Cl)cc1	21041925	AJERIJYGHNCBEU-FZMZJTMJSA-N	239.790	4.569	0	10	BJAE	
CSc1ccccc1Sc1ccccc1	36405714	QCTULQYOCWULBD-UHFFFAOYSA-N	232.373	4.560	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@H]1CC)c1ccccc1	37032183	VVDUOJVLNSOSFL-PVAVHDDUSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H](Nc1ccccc1C(F)(F)F)C(C)C	37196400	JBWJYMAUWJEAFI-LLVKDONJSA-N	245.288	4.552	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H](C)c1ccc(C)c(C)c1	70105575	YYIPWANLGHUNKP-WMLDXEAASA-N	245.410	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](O)(CC)c2ccccc2)C1	71153395	KNPZAURHSGFICJ-HYVNUMGLSA-N	246.394	4.501	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCCC(C)(C)CC2)c1	86896617	ORUWNSXYSMANNR-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CC(C)[C@H]1CCc2[nH]c3c(Cl)cccc3c2C1	87818868	UJCSUNUARYRDRT-JTQLQIEISA-N	247.769	4.582	0	10	BJAE	
CC[C@@H]1CCC[C@H](Sc2cccc(N)c2C)C1	91941372	IRHSBRYIHIXUAC-OLZOCXBDSA-N	249.423	4.638	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CCC(CC)CC1	103935079	LYFRCEHQUOUXJE-PCKAHOCUSA-N	239.447	4.891	0	10	BJAE	
CCCCCC[C@H](NCC)C1CCC(C)CC1	109737760	CPIDENIRPKXNBG-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](Nc1cccc2ccccc12)C1CCCC1	109749756	BSTSLMGXIKSUKN-CYBMUJFWSA-N	239.362	4.830	0	10	BJAE	
CCCNCCC(C)(C)[C@H]1CCC[C@H](CC)C1	133907843	TWVLXOXNXIQGNZ-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](/C=C(/C)C[C@@H]1CCCCN1)CC	157320557	UGIXZNDJKCWWJE-OPZRYQFUSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)[C@H](N)c1c(C)ccc2ccccc12	160859124	JMWAANTXRHXFCQ-MRXNPFEDSA-N	241.378	4.584	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(O)CCCCC1	164635555	PYZROHXGLFYBFJ-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1cc(C)ccc1C	165764606	ZCUSOOJHVGJATE-GJZGRUSLSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C1CCC(C)CC1	167790994	PEKCOIJGXWFLFT-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CCC2CCCC2)C1	169184671	GYHQNRMGQNMKCJ-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1C[C@@H](C)CC(C)(C)C1	216295160	QJVAEGMISDDVGF-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(Cl)cc1[C@H](O)CCC(C)(C)C	229341811	BHMOEHCOUVSLCF-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCC(CC)Cn1ccc2cccc(Cl)c21	232900057	UYWWHZJDWRHFJP-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
CCc1cccc(NC[C@H]2CC(C)=C[C@@H](C)C2)c1	234176311	PYMFTKHGPBZETP-CZUORRHYSA-N	243.394	4.653	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1C	250989984	AITIFIGRCIAVLD-JYAVWHMHSA-N	231.383	4.540	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)[C@H]1C[C@H]2C=C[C@H]1C2	252425002	KRWNTAPAEYSNFI-QUSNUVHPSA-N	249.442	4.536	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@H]2CC[C@H](C)CC2)CC1	253142483	XTDKGWSPEVYBPG-VGWMRTNUSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cccc(NC)c2)cc1	259417357	YABZMFPQCAPCDT-ZDUSSCGKSA-N	239.362	4.909	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCC23CCCCC3)C1	299958333	UVAFBHVMBZBTQW-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCC[C@H](CC(C)C)C1	300308994	LYGPHDBIGAYVMO-PMPSAXMXSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)CCCNc1cccc(Cl)c1	300821567	FZUIBBYFVQHAKI-UHFFFAOYSA-N	225.763	4.578	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@H](C)CC(C)C	300995823	WHSUYYGJBPFOHJ-LLVKDONJSA-N	239.790	4.743	0	10	BJAE	
CC(C)CNCC1(CCCC(C)(C)C)CCC1	302282781	JQOWMJOHJBYMEI-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C(C(C)C)C(C)C	304330362	DGBAPRJGVZQLDW-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CC1CCCCC1	304378084	KHEYLJVCIVXFIS-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(=O)c1ccc(C2=CCCCCC2)cc1	304578161	QFLHZWIKNAXAMB-UHFFFAOYSA-N	228.335	4.627	0	10	BJAE	
CCOc1sc2cccc(Cl)c2c1Cl	306705867	PLDQGICBEOFYIT-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CSc1c(Cl)sc2c(S)cccc12	307578184	RJDIBQDBVSMDGG-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
C[C@@H]1CC[C@H](n2ccc3c(F)cccc32)C[C@H]1C	310557620	SRIHSIWFNLCGLL-UPJWGTAASA-N	245.341	4.778	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cc(C)ccc1Cl	313395376	OQZOYHHMYCJNLC-RISCZKNCSA-N	240.774	4.508	0	10	BJAE	
CCC[C@H](N[C@@H](C)c1ccc(C)o1)C1CCCC1	313416811	VRPCHONYFWFUPO-ZFWWWQNUSA-N	249.398	4.598	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1	315243562	YOFKTAXPZVXRFG-AESZEHBQSA-N	243.394	4.540	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNCC)CCCC[C@H]1C	317496931	KZVGJKKIUIHSHX-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@]1(CNCCC)CCCC[C@H]1C	319097252	DKQRXNICRSNZJK-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H](NC(CC(C)C)CC(C)C)C1CCC1	324842738	XCPJSUFWDMHDLZ-MRXNPFEDSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CC[C@@H]3CCC[C@@H]3N2)CC1	381503714	IQXOHDYCTNVNNZ-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1CCCCC1(F)F	381734245	SZAJAVHUXPDEKB-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCN[C@H](CC)[C@H](C)CCCCCC(C)C	383391919	PAWLRWXIYMUKCF-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@@H](O)c1ccccc1CCC	385258233	WTZIRIAFGDCHFX-MRXNPFEDSA-N	234.383	4.643	0	10	BJAE	
CCCC1(CN[C@H](CC)C[C@H](C)CC)CCC1	391885264	ZIUSFAXQXMFXSO-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)CCNc1ccccc1OCC(C)C	394415209	SXRUGCMRAXZGGB-CQSZACIVSA-N	249.398	4.570	0	10	BJAE	
C[C@@H](CC(=O)C(C)(C)C(C)(C)C)c1ccccc1	395136168	HJMOZFLQEPQENH-ZDUSSCGKSA-N	246.394	4.822	0	10	BJAE	
CCOc1cc(C(F)F)c2scc(C)c2c1	396254844	WEOYEEMJUNHLCS-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCC[C@H](Nc1ccc(F)cc1C)[C@H]1CC1(C)C	397796677	QXMWAXIQZFFOJG-HIFRSBDPSA-N	249.373	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1cscc1C	401924803	YQSSUYFOZFDYRU-QWHCGFSZSA-N	237.412	4.685	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2CC=CCC2)CCC[C@H]1C	402400762	OMYGSPUEORQXEO-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(Cn1ccc2ccccc21)c1ccccc1	686729546	MPRDXUYPGBZSPT-UHFFFAOYSA-N	249.357	4.619	0	10	BJAE	
CC1(CNc2ccccc2-c2ccccc2)CC1	687301923	VQFVJNVCAAYOHO-UHFFFAOYSA-N	237.346	4.566	0	10	BJAE	
CCC(CC)[C@H](N)C1CC(C)(C)CC(C)(C)C1	688345635	LVMLCWXENHJSSS-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC([C@@H](N)CCCC2CCC2)CC1	688358143	XGYWPFWBZWFIOT-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC(C)C(Nc1cccc(C2CC2)c1)C(C)C	690158262	HEPDVCQBFUTIBO-UHFFFAOYSA-N	231.383	4.657	0	10	BJAE	
CC1(CC2(CNC(C)(C)C)CC=CC2)CCCC1	690472014	HKPPRZNDUXMERY-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC1(CN[C@@H]2CCCCC[C@@H]2C)CCCC1	691088189	JWMQUOVEPRYCKB-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)C(=O)CC(C)(C)CC(F)F	694656719	NTGMWYCNBBIYQP-UHFFFAOYSA-N	248.357	4.843	0	10	BJAE	
CN[C@H](C1=CCCCC1)[C@@]1(C)CC[C@H](C)C1(C)C	699009986	FNRVSGLNZQFBDB-YSVLISHTSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1O[C@H]1CCCC[C@H]1CC	699505897	HVFWNMKQJXIGMD-ZBFHGGJFSA-N	246.394	4.987	0	10	BJAE	
CCC(C)(C)CC[C@H]1C[C@@H](C(C)(C)C)CCN1	699562137	SUDXYURXZXWTGX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C(C)(C)CC)C(C)(CC)CC	701243421	LNJIBSNPCYSAKJ-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)CC(N)(CC(C)C)CC(C)C	704895747	MKUSFMQHNCJSIZ-CQSZACIVSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCCCC[C@@H]1C	704930779	SUZITZAJURSDPF-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](CC)C[C@](N)(CC)C1CCC1	705300745	YKMNMWHKTTYDRE-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)C1CC(C)(C)C1	706193696	DEWKYKUOQADHQV-INIZCTEOSA-N	245.410	4.507	0	10	BJAE	
CCC[C@H](NCC[C@H]1CC=CCC1)[C@@H]1CC1(C)C	706891638	XNCDTILJPWMPKK-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H](C)CC(C)(C)C)C1	709271628	JUUXBFVWSHFZJX-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CCc1ccccc1N[C@H]1CCCC[C@H]1C1CC1	710136130	JQNZCUHBMCSYCI-RDJZCZTQSA-N	243.394	4.630	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(N)C[C@H](C)C(C)(C)C)c1	710751605	GCHKHULNBOOSMP-YOEHRIQHSA-N	247.426	4.550	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)[C@@H](C)C1CCCCC1	713144463	CICTYNUFTSRVNY-DZGCQCFKSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC(C)(C)C(C)C)[C@@H](C)CCC	713216085	KVDUPBIUZYHUEZ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)=CCC/C=C\COCc1ccccc1	888086667	YKGUPQVXXUSBBJ-WTKPLQERSA-N	230.351	4.506	0	10	BJAE	
Cc1ccccc1[C@@H](C)Sc1ccccc1	1164575259	AEEPSLDUGWTBKH-CYBMUJFWSA-N	228.360	4.848	0	10	BJAE	
Cc1cccc(S[C@H](C)c2ccccc2)c1	1188682825	ASKZAKPRVNELPQ-CYBMUJFWSA-N	228.360	4.848	0	10	BJAE	
Cc1ccc(S[C@H]2CCCC[C@H]2C)s1	1559426148	GEQFLCIJNJDPJM-KOLCDFICSA-N	226.410	4.727	0	10	BJAE	
C(CSC[C@@H]1CC[C@H]2C[C@H]2C1)CC1CCC1	1559447200	ZHVUAHNZVRIPBA-QLFBSQMISA-N	238.440	4.736	0	10	BJAE	
CC[C@H](C)CN[C@@H]1CCCCC12CCCCC2	1875413537	BXUKQPRYRJRLAZ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H]1CCC[C@H]1C(C)C	1907592909	GKLOKCFPBBEZGP-SOUVJXGZSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC[C@@H]2C[C@@H]2C)C1	1908591313	GVHPNSUDHCJPDK-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@]1(CNC(C)C)CCCC[C@@H]1C	1911904117	KVJNKAPYQHXAIZ-DLBZAZTESA-N	249.442	4.703	0	10	BJAE	
C=CC=CCC[C@H](CC1=CCCCC1)NCCC	1912104760	SPBULSBKSGSCIB-QGZVFWFLSA-N	247.426	4.768	0	10	BJAE	
CC1(CC(=O)C2CC3(CCCC3)C2)CCCCC1	1912602584	RWHCSSZYVWOEIK-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCC(C)(C)C[C@H]1CCCCCCCC[C@@H]1O	1913387652	BTMUJKFZFNDYCR-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@H]1CCC2(CCCC2)C1	1916434320	JKUGWQJWIAKLMB-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@H](C)C(C)(C)C	1920186503	OMAIQRHUGJOZST-GZBFAFLISA-N	227.436	4.602	0	10	BJAE	
CCC1CCC([C@](N)(CC)C[C@@H](C)CC)CC1	1920196621	KVSMDNLCOZADSW-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@](C)(N)c1cccc2ccccc12	1920478477	SFZRPOQYCPAOTH-KRWDZBQOSA-N	241.378	4.594	0	10	BJAE	
CC1(C)C[C@H]1CCC1(N)CC(C2CCCCC2)C1	1921546278	MMQAWUNUOLPBKD-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H](C)C2(F)CC2)cc1	1922867392	DUZVRAASWHFIOW-VXGBXAGGSA-N	235.346	4.503	0	10	BJAE	
C[C@@H](CC(=O)[C@@H](C)C1CCCCC1)C1CCC1	1924131931	WJEAPSJEIWVMQD-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCC(C)(C)C[C@@H]1CN	1927160976	KPXKZNBVDBCTJU-ZIAGYGMSSA-N	239.447	4.604	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CCCC2(C)CC2)C1	1940884176	XSTWFTNXUMANDP-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
Cc1ccsc1[C@@H](C)N[C@@H]1C=CCCCCC1	1946324783	JEPZSNBEXKTSDP-ZIAGYGMSSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc(F)cc1C	1947455870	CUTJDPWDXXEIJO-WFASDCNBSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@H](C)CCC(C)C	1948846638	GBOMKSZTUXHDEH-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCCC1([C@@H](N)CCCCCC(C)C)CCC1	1948988220	JVSUCXCNUOGPOU-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCC[C@H](CC(C)C)C1	1949088464	VJXWXMXLSRLPKH-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C1(CC)CCC1	1951235445	UVOBSPZKMWEICK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)cc(N(C)C[C@@H]2CCC(C)(C)C2)c1	1963023872	XBZYPDILXXHENJ-OAHLLOKOSA-N	245.410	4.566	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)cc1C	1968255053	QHOUMRUCIJASBR-SCAQPMJSSA-N	243.394	4.684	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H]2CCCC(C)(C)C2)c1	1968307147	FBBFBKUSRWUJSX-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCC[C@H](C(C)C)C1	1973163581	GSTHWQJWKPJAPO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1C[C@H](C)c2ccccc21	1973315676	LBZMOXYNDRVKPP-XJKSGUPXSA-N	245.410	4.651	0	10	BJAE	
CCCCC[C@H](NC)c1cc(C(F)F)cs1	1977078877	OMOSUHKRYYEUEP-JTQLQIEISA-N	247.354	4.527	0	10	BJAE	
CCC(C)(C)CNC1CCCCCCCC1	1980336387	JHSFXXSCGNMTAJ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](C)CC1(O)CCCCCCCC1	1980349845	BFBQUYFEXLSCOU-CQSZACIVSA-N	226.404	4.678	0	10	BJAE	
CC[C@@H](C)CC1(O)CCC(CC)(CC)CC1	1981066275	STBJAQYDQBUYSJ-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCCC(=O)C1(C)CCC(C)CC1	1983312778	SGOLCWOUKCXPHT-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)CCC=C(C)C	1988795584	VIMGXQWWOIKRHN-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCCC1(C[C@@](N)(CC)CCC(C)C)CC1	1990627811	JAUOMXUVPXOXJM-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CC[C@@H](N[C@@]2(C)CCCCC2(C)C)C1	1997430291	WKIHGPXDIQUCBR-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC1CC(C(C)(C)C)C1	1998255327	JDWNOASMTOZQTR-SEEARECTSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CCC[C@](C)(N)C1CC2(CCC2)C1	1998646417	SRZULIWPSDMFGL-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(O)CCC1CCCCC1	1998739438	AYFQLSLAEUMWCZ-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1C(C)=CCC[C@H]1C	2000345410	ZLJZWALIYDKXMP-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](CC)(CN)[C@H]1CCCC(C)(C)C1	2000483128	KAXXWRNGDJHHRS-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@H]1C=CCCC1	2000502091	KDWRFORSVZWQAB-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@]1(CNC)CCCC(C)(C)C1	2002992419	BOGVDPBSOCZUOD-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
C[C@@H](Nc1ccccc1)[C@H]1CCCC(C)(C)C1	2003015124	DAAVEPMIXPZGPU-KGLIPLIRSA-N	231.383	4.703	0	10	BJAE	
CCCC=CCN[C@H](C)[C@@H]1CCCC(C)(C)C1	2003016631	HHOFOYADWVKMQR-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](N)CC2CC2)CC1	2003067785	XZOFCJKHKZEMBX-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCCCCC[C@@H]1N	2003118636	SHKUTOIYPVEHES-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)C[C@]1(CN)CCCCC12CCC2	2005603690	GXLVRWWKVGNHIH-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@H]1CCC[C@H]1C	2006757914	GRVPZGWWQHABJK-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc(CF)cc1	2007024935	MCRWXJHFWAQCJQ-DZGCQCFKSA-N	235.346	4.537	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CCC[C@H]1C(C)C	2007658511	BDJOKIVCCHUMOM-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)c1sccc1C	2007948054	SBFMXFYAKLKPFX-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
CC=CCCCNC1CC(C)(C)CC(C)(C)C1	2009594457	RRUBVFMZSRZUMI-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)c1cccs1	2010724972	FPGFUJHWRBHQKN-SWLSCSKDSA-N	249.423	4.535	0	10	BJAE	
Cc1cc([C@@H](N)C2=CCC(C)(C)CC2)c(C)s1	2010745375	ZQPDAGFDCDLFEK-AWEZNQCLSA-N	249.423	4.501	0	10	BJAE	
CCN[C@@H](CC)CC1=CC[C@H](C(C)(C)C)CC1	2010768499	ZPYCVCLLHXMWTC-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC1=CC[C@H](CC)CC1)NCC	2010769774	TZWOUJFBXGFYTR-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)C(=O)CCCC1CC(=C2CCC2)C1	2011076683	ZKSIORXAJVZEER-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@H](C)[C@H](C)C1	2013264706	PCIRKIADGZVTJC-ZJIFWQFVSA-N	239.447	4.616	0	10	BJAE	
CC(C)(CC[C@@](C)(O)C1(C)CCCC1)C1CC1	2014328921	LXTRHUVXKJMNAS-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCC1(C(C)C)CCC1	2017131466	QBSMNGIARAOJFV-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@H](O)C2(C)CCC2)CC1	2017642471	HZCSCHZNCAIBHA-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CCCC(C)C)CC1	2017654589	FPVOZUMPSVUNNO-SHTZXODSSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)CCC2CCC2)CC1	2017724744	ZDSRZBUTJBOWMF-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H](C)C(C)(C)C)CC1	2017775055	XAIFWKKKXONRTO-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C1CC1)C(C)(C)C	2018127892	PWKMTPKKYWCXDC-LSDHHAIUSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC[C@@H]1CC1(C)C	2018184356	GYZHZJPWWJOVFT-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
Cc1cccc(N(C)CCCCCC(C)C)c1	2019341046	VSZXJZHRJNXZDI-UHFFFAOYSA-N	233.399	4.648	0	10	BJAE	
CC(C)CCCCCN(C)[C@H]1CCC[C@@H](C)C1	2019344033	IKDIKPHQUSAZKX-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)C[C@H](C)C1CCC1	2019354603	XFGZQMCSWJLEDA-HOCLYGCPSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)[C@H]1C[C@@H]1CC	2022260158	YGPZHIIMICYYLX-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1cccc2ccsc12	2022495655	KTGFFKZBSQAMHB-STQMWFEESA-N	245.391	4.749	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C[C@H](C)C(C)(C)C	2022684254	TXWLKBZGMASCSB-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc2[nH]c(C3CC4(CCC4)C3)cc2c1	2024286147	IOQWHXCONHGZDP-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CC(C)(F)CNc1ccccc1-c1ccccc1	2027729845	XYPLKYBFZGNRIN-UHFFFAOYSA-N	243.325	4.514	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](NC)c1cccc(C2CC2)c1	2028555473	UJLNDIQNNYRPAR-SJORKVTESA-N	245.410	4.507	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C1(C)CC(C)(C)C1	2029105325	NBGRCRXUENGJRZ-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NC[C@@]12CCCC[C@@H]1CCC2	2031808212	JYLQXIYVEJEAED-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CC[C@@H]3CCCC[C@H]32)c1	2034267113	YWIZNHZLXRRYAW-GZBFAFLISA-N	247.357	4.515	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2C=CCC2)CCC[C@@H](C)C1	2035595610	YWPHGASQJYKUAF-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC/C=C/CN[C@@H](C)c1ccc(CCC)cc1	2036762684	DZJLBNUSJLNAED-KIUWMYQTSA-N	245.410	4.646	0	10	BJAE	
NC[C@@H]1CCCCC[C@H]1[C@H]1CCC2(CCCC2)C1	2037694613	NQPVYBGZYFBEEZ-JYJNAYRXSA-N	249.442	4.502	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)C2CCC(C)CC2)c1	2040633172	MDRYHFRSNFUFPV-DSSZZKGTSA-N	245.410	4.930	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)C1(C)CC=CC1	2042015781	DCNGUVKGRIRBJY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](NCC1CCCCCC1)C1CC2(CCC2)C1	2043554738	VUNHGFPIVBKISZ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@H]1CCC=CCCC1	2045317430	LVGGUDLOECCGBE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(=C[C@H]1CCC=CCCC1)C[C@H]1CCCCN1	2045318952	ZRQYSSHLZZFOQY-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)[C@H]1CCCC(C)(C)C1	2045364970	HKUQNGQWJUOWDF-HOCLYGCPSA-N	246.394	4.553	0	10	BJAE	
C[C@@H]1C[C@H]1c1ccc(C(=O)CCCC2CCC2)o1	2045562069	NNQYGIJPRCBCEI-DGCLKSJQSA-N	246.350	4.556	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)C[C@H]1CC12CCCCC2	2047059906	UAXIAGDFLNJNJO-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2048468334	FDLUPBSELOCZSY-ARLBYUKCSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC([C@@H]2C[C@@H](C)Nc3ccccc32)C1	2048634861	SZHQCSZXDXONRP-WOICTCIZSA-N	243.394	4.657	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049846373	SDHDEKOLFVBWRT-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC[C@](C)(CNC1CC1)CC1CCC2(CC1)CC2	2049859161	QASQECDPMKUDPK-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2CCCC3(CC3)C2)CCCC1	2049860495	VHZPHGPXTXOZQW-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@@]1(C)C=CCCC1	2049997524	OESDRUXUYUZQST-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CC)[C@]1(C)C=CCCC1	2049999071	YXGFYQALRURPKE-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CCC1(N)C2CCCC1CCC2)C1CC1	2050012140	MLNIMFRIQWAWAC-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](CC(=O)c2ccc(F)cc2)C1	2050494989	OPATVVNMEYYPTD-QWHCGFSZSA-N	248.341	4.615	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)c1ccco1	2050522253	HAIYZDZTGJLDFM-OAHLLOKOSA-N	247.382	4.601	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@]2(CN)CCCCC23CCC3)C1	2053412424	SKPXCXFIOIHCGN-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CCc1cccc(CC)c1N[C@@H]1CCCC[C@@H]1F	2055159828	OBCBAHGQYCYKEI-LSDHHAIUSA-N	249.373	4.504	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H]2C[C@H](C)CC(C)(C)C2)CCC1	2055544731	IVQXGKMTSFMRDJ-MAZHCROVSA-N	249.442	4.680	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CCC[C@H]2C(C)C)cc1	2056449507	IXEAHOUZZZFWLA-HOTGVXAUSA-N	244.378	4.504	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)C1(C)CCC2(CC2)CC1	2056553555	RQTGRQSAACFVLV-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(NC2CC(C3CCC3)C2)C1	2059392272	OJXGHNHTZLOSFZ-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCCC23CCC3)C1	2059398502	VLYBGVVYKCAMLE-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CC(C)C1CCC([C@H](N)C2=CC[C@@H](C)CC2)CC1	2060914713	USHHHJIRYNEHBC-RKHAHWSXSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](CC)CC1)C1(CC)CCC1	2061147863	QOQIFNMOEZGJGF-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
O=C(CC[C@]12CCC[C@H]1C2)CC1CCCCCC1	2061604843	CECWJKWMCQXKEK-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CCN[C@@H](C1CC(=C2CC2)C1)[C@@H](C)CCC(C)C	2061647265	OOOHTDRLNFVRGB-SUMWQHHRSA-N	249.442	4.537	0	10	BJAE	
C[C@@](O)(CC1CCCCC1)CC1CC(=C2CC2)C1	2061685096	NLVMQELCWAEVMY-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCN1CCCC12CCCCCC2	2062630082	JVJVOGOLDHLSEC-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2062652368	OCTMUXSXWQYHEA-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(CC2(N)CC3(C2)CC3(C)C)CC1	2064010488	NZHRUKCPYHHQHV-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
NC1(CC23CCC(CC2)CC3)CCCCCCC1	2065334598	GLWBOONBJWDVEG-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CC23CCC(CC2)CC3)CC1	2065339689	OHQFSFWRQBLREH-OTBWCIGPSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](N[C@@H]2CCC23CCCCC3)C1	2066628433	YCDYSHKNQSMCOM-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068771905	SZKQUOJKKQYNNI-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)c1cc(C)c(C)o1	2068906812	CDROBMCJBVRFDV-HNNXBMFYSA-N	249.398	4.684	0	10	BJAE	
CCCCc1ccc(NC[C@@]23CCC[C@@H]2C3)cc1	2070790189	OXYPXYMHYSIZKU-WBVHZDCISA-N	243.394	4.631	0	10	BJAE	
CC(C)C1(CC(=O)C2CC3(CCCC3)C2)CCC1	2071916403	YZYBWMYWDSNXJH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)c2cccc(C)c2)CC1	2072700145	HHKVBNQBSFVLPR-ZOBUZTSGSA-N	246.394	4.635	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCCC(C)=C2C)CC1	2072816573	WJFMEIZLEZOMGE-JCYILVPMSA-N	249.442	4.811	0	10	BJAE	
CCC1CCC([C@H](N)C[C@@]23CCCC[C@@H]2C3)CC1	2074030358	SQPORCTZGPEWDP-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
CC1(CCNC[C@]23CCCC[C@H]2C3)CCCCC1	2074046088	IQVOUKHWSXBSDG-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CCC(C)(C)CC=C1CCNC2(CCCCC2)C1	2074138578	LAQZDVAHBZSBHK-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCCC1(C[C@@H]2CCNC3(CCCCC3)C2)CC1	2074631268	HFTZHBIQFFSZGY-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCCC1(C[C@@H]2C[C@@H](C)c3ccccc3N2)CC1	2074637290	UFRGFOXLYZPYJX-KGLIPLIRSA-N	243.394	4.945	0	10	BJAE	
C[C@H]1C[C@@H](N(C)[C@@H](C)c2ccccc2)CC[C@H]1C	2074797657	SHYNZNVEMLZHHJ-AESZEHBQSA-N	245.410	4.504	0	10	BJAE	
C1=C[C@@H](Nc2ccc(C3CCC3)cc2)CCCC1	2075370357	NFLHBFDXUKTSIN-MRXNPFEDSA-N	241.378	4.865	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@H]2CCC23CCC3)c1	2077262256	PRXRZTGKCGVAGB-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)[C@H]1CCCCC12CCC2	2079633982	QQTHBHIQQIYMNK-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
Cc1cn(C[C@@H]2C[C@@H]2C2CCCCC2)c(C)c1C	2079818269	IJGBBZNUXAKJEI-DLBZAZTESA-N	245.410	4.630	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@H]1C1CCCCCC1)C1CC1	2079821462	VNSHTMCOZPEPDL-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCC2)CCCCC1(C)C	2081681852	HQRRNOLEFWXPGA-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)CCCC(C)(C)C)c1	2082930301	PIJXKFPEDMKJDM-MRXNPFEDSA-N	247.426	4.828	0	10	BJAE	
CCNC[C@@]1(C[C@@H]2CCCC(C)(C)C2)C=CCC1	2082985987	JXUOCJYUPGPZSD-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1C[C@H]1C[C@@H]1C1CCCCC1	2083799121	IZLYNSYZXZXLJA-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccc(NCCC2(F)CCC2)cc1	2084759090	FHVBQYGQMZPDMF-UHFFFAOYSA-N	249.373	4.678	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N[C@H](C)CC2=CCCCC2)C1	2085246006	ZWCJSDDRYVLUTR-OIISXLGYSA-N	249.442	4.680	0	10	BJAE	
CCCCC[C@@](N)(CC)c1sc(C)cc1C	2210570390	SMQKZIBWVJJSDS-AWEZNQCLSA-N	239.428	4.509	0	10	BJAE	
CC[C@](C)(O)CCCCCCCCC1CC1	2212446036	JBKXGPPFUSGTBK-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CC1(C)C[C@]1(C)[C@H](O)CCCCCCC1CC1	2213581486	XBOPCVFJIDAHJM-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CCCCC1CC1	2214574297	SNLRAICNWJZJMR-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC1CCC(C(=O)CC[C@@H]2C[C@H]2CC)CC1	2215331525	LACFYKZOODZOAH-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H](C)CCC(C)C)CC1	2215824714	WOLAWPSARPRHLN-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@]1(CN[C@H](C)CC)CC=CCC1	2217127913	IYLOJCYOFNGAJQ-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)C[C@H](CNC1CCC1)C(C)(C)C	2217153366	LIWMCQSBIKKXQW-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218361783	QKLFDLQRESUBTR-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)CNc1ccnc(C(C)C)c1	2220885289	KZGQRQGRKJDWQE-AWEZNQCLSA-N	248.414	4.833	0	10	BJAE	
CCCc1ccccc1C(=O)CC[C@H]1C[C@@H]1CC	2220958744	ITANICWBYZKOMV-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(CNC2CC2)CC=C(C)CC1	2221668045	NRIQPKTVXZQYAU-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCC1(C(=O)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	2222955445	SZBOYDDWUPXSME-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@@]1(CNC1CCC1)C1CCCCC1	2223540605	ALVCJARLFOPPNK-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CCCC2)CC=CC[C@@H]1C	2223563714	VZOUWZPZHWMVKV-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)CNc1cccc(C)c1Cl	2244802436	PWIQUKOYACLZBW-LBPRGKRZSA-N	239.790	4.887	0	10	BJAE	
CCCCN(CCCC[C@@H]1C[C@@H]1C)[C@H](C)CC	2247159737	PBNQVPFAIJWCAE-ARFHVFGLSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)C1CCCCCC1	2247175604	KAEXJOQZQIQDME-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@H](N)CC1CCCCCC1	2247310118	LAUVHUCWUSOROD-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CCC12CCC2)NCC	2247441447	OPAKPFLOBMEADX-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1CCC1(C)C)NCC	2247447554	MYOCVLDAWBOOQY-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CC[C@H]1CCCC12CC2)C(C)(C)C	2247598398	CEYXZPYPPIIZLP-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C(=O)CCCCC[C@H]1C[C@@H]1C	2250363761	BOXUJSVUJRNPHY-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@H](C)CCCCC(=O)C1CC1	2250519216	MLDTUUNWRIMVLD-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCCCCNCC1CC(CC(C)(C)C)C1	2251538023	YQLBOSKYRIVGPD-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC1CC(CNc2ccccc2)C1	2251540605	JGXAXVATHFRAQY-UHFFFAOYSA-N	231.383	4.561	0	10	BJAE	
CC[C@@H](C)CN(C)[C@@H]1CC(C)(C)CCC1(C)C	2251711239	HPSANVZXODYUOA-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)C1	2253931591	RJBHORXXFKEBTQ-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC[C@H](NCCCC[C@@H]1C[C@@H]1C)c1ccccc1	2254503479	PVIADVXKNWKCIU-UAGQMJEPSA-N	245.410	4.554	0	10	BJAE	
CCN[C@@H]1[C@@H](CC2=CCCCC2)CCCC1(C)C	2255046691	ABXRHVTZNSELJW-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H]1C[C@@H](CC2=CCCCC2)CCC1(C)C	2255135291	ADMJZSHHYNVAQK-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@@H](N)CCCCC[C@@H]2C[C@@H]2C)c1	2257294630	XDTVBVYDGBYDLR-UXLLHSPISA-N	245.410	4.601	0	10	BJAE	
Cc1cc(N[C@H](C)C2CC(C)(C)C2)cc(C)c1C	2258232045	XAMTTZHBFUVSRY-CQSZACIVSA-N	245.410	4.848	0	10	BJAE	
Cc1cc(NCC2(C)CCCCC2)cc(C)c1C	2258249935	WVTSJHPJCMFCLQ-UHFFFAOYSA-N	245.410	4.994	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@]12CCC[C@H]1CC2	2260516382	MMLNIFMOTRNPLV-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@]23CCCC[C@@H]2CC3)C1	2260577839	IBJUPRWAJTWPKN-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CCC[C@]1(C[C@]23CCC[C@H]2CC3)CCCCCN1	2260578197	KHEVBDXRRXQBEN-GVDBMIGSSA-N	249.442	4.659	0	10	BJAE	
CCC[C@](N)(C[C@]12CCC[C@H]1CC2)C1CCCC1	2260651865	NTRUQCLGHYSPAC-UAGQMJEPSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@]12CCCC[C@@H]1CC2	2298700504	DOSXDGRPFNJTHU-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H]1CC[C@@](O)(CC2CCCCCC2)C1	2301208435	SOOWGXUDHKGWFI-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1C(=O)CC[C@@H]1CCCC1=CCCCC1	2302344380	FKTYFZSBKMROOB-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
CSc1ccncc1CCCC1=CCCCC1	2302344666	ISSGXRUTNMRNHT-UHFFFAOYSA-N	247.407	4.627	0	10	BJAE	
C[C@@H]1CC[C@@H](CCCC2=CCCCC2)CC1=O	2302344968	MGCDWKRQJJCZMD-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CCCC1(C(=O)C[C@H]2CC[C@@H]2C(C)(C)C)CC1	2303477421	XWRPUXBOTORSFZ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)[C@H](C)C(C)(C)C)CC1	2303526529	SIPNGTHEWHATTO-SOUVJXGZSA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H](CC[C@@H]1CCC(C)=C(C)C1)NCC	2303583009	IZWXIKPCQYXGRA-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC[C@@H]1CCC(C)(C)C1	2304435309	IAVULZFAMWOINT-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC[C@@H](CC[C@@H]2CCC(C)(C)C2)C(=O)C1	2304448011	UCDRDWRUXBCSGZ-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CN(C)C1C[C@@H](C)C[C@H](C)C1	2307746309	CSZGRMKHXCPCNB-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](CC)CN(CC)[C@@H]1CCCC1(C)C	2307753196	ZSQVCCLJJFWXTM-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@H]1C)[C@@H]1CC=CCC1	2308749921	OATRKBHVEXCKRK-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CCC1)C1(C)CC=CC1	2313579751	FHQVFCBTWWSGAM-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN1CCCCC12CC2)CCCC(C)C	2316516435	GNIABQOTMUEYMW-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC(=CC[C@@H](N)[C@@H]1CC2CC1C2)CCCC(C)C	2316584244	WMAIJJAZUBZRKO-BHUNQDJPSA-N	249.442	4.523	0	10	BJAE	
Cc1cccc([C@@H](N)CCC2CCCCCC2)c1	2317017214	ZBZLQKKUJGNZPO-KRWDZBQOSA-N	245.410	4.745	0	10	BJAE	
C[C@@H]1[C@@H](C(=O)C2CC3(CCCCC3)C2)CC1(C)C	2318284643	IYASGSQCWUXCJO-OCCSQVGLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)CCCC1=CCCCC1	2318572903	LHCIFPBAGYVHEX-NVXWUHKLSA-N	249.442	4.778	0	10	BJAE	
FCc1ccc(NCCCC2=CCCCC2)cc1	2318579755	UWVZXCVPCNEZTR-UHFFFAOYSA-N	247.357	4.849	0	10	BJAE	
C[C@H](N(C)CCCC1=CCCCC1)C1(C)CCC1	2318594454	GGKVVVSIXXDZJX-HNNXBMFYSA-N	249.442	4.778	0	10	BJAE	
O=C(CCCCC1CC1)CC1[C@@H]2CCCCC[C@@H]12	2318879284	QCQSMDNVPLSIKC-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@](O)(CC[C@@H]1C[C@H]1CC)c1ccccc1	2320376809	MQELRUBKCNAATI-BFYDXBDKSA-N	246.394	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)CC1(C)CC1	2320393551	GSXKCEMRGFLNKQ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2320415090	XKORXTRHLWGTAX-JYYAWHABSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CC(C)(C)CC2(C)C)CC1	2320567128	DCVVSBCRLGLYTK-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CC(C)c1ccc(N[C@@H](CC2CC2)C2CC2)cc1	2320616861	OZUCRHIIERZJIF-KRWDZBQOSA-N	243.394	4.801	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cc(C)ccc1C(C)C	2327701614	OTSTYVYOINXLPI-RHSMWYFYSA-N	248.410	4.978	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@H](C)CC(C)C)c1	2327708707	RKYPWIBTGWNHOA-RHSMWYFYSA-N	248.410	4.834	0	10	BJAE	
CCC[C@H](CC)CC(=O)Cc1cc(C)ccc1C	2328268823	KMXGDANLOMPDFH-HNNXBMFYSA-N	246.394	4.631	0	10	BJAE	
COc1ccc(-c2cccc3sccc23)cc1	34111742	AGFAPCMMDPGWSG-UHFFFAOYSA-N	240.327	4.577	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(N(C)C)cc1	36335344	SYESKUSMQRGZGF-AWEZNQCLSA-N	248.414	4.523	0	10	BJAE	
Cc1ccsc1-c1cccc(C(F)(F)F)c1	60261048	UDUKWPASRZVSPJ-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCCC1CCCCC1	70977915	FSQIYGUSNRGNRN-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(-c2ccc(C)c3ccccc23)ccc1N	79905370	ZOIZYOFGLHQZPP-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CCCCCC[C@H](CNCCC)CC(C)C	82441747	FFJBUOGBMCLLIS-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCc1cccc(CC)c1NCC(CC)CC	83360394	QAUCRTKEDVLSQW-UHFFFAOYSA-N	233.399	4.660	0	10	BJAE	
CCCCCC[C@@]1(N)CCC[C@H](CC)CC1	83435199	WOINOZYPBHWJCD-LSDHHAIUSA-N	225.420	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccsc2)CC1	85529063	MFUAQCMLLDSCJK-NEPJUHHUSA-N	223.385	4.519	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C(CC)CC)CC1	87158871	BRGOFBQDMDLCKS-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCc1ccc([C@H](C)N[C@H](C)C[C@@H](C)CC)cc1	88293853	WYGFXKWROQNHSS-ZNMIVQPWSA-N	247.426	4.724	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1	91510798	WEAWCPLIGPHKED-IUODEOHRSA-N	249.373	4.761	0	10	BJAE	
CCSc1ccccc1N[C@H](C)C1CCCC1	103992030	NJALXHUOSISWLG-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H](CCC(C)=O)c1ccc(C(C)C)cc1	107634883	VDGBYSRMBCGLMN-AWEZNQCLSA-N	232.367	4.673	0	10	BJAE	
CCCc1ccc([C@@H](C)N[C@@H](C)[C@@H](C)CC)cc1	109927861	XXEPLBFDEMINAI-SOUVJXGZSA-N	247.426	4.724	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C(C)C)c(C(C)C)c1	110463232	BPXIAVDYIUKWCF-INIZCTEOSA-N	234.383	4.623	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)C1CCCCC1	121997199	RHDFQGBQIHGRSE-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CC1(N)CC(C)(C)CC(C)(C)C1	125002838	DYGMLRPGLOPCAU-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@]1(O)CC[C@@H](C)c2ccccc21	137030631	KWZSRXRQFOGHFG-PBHICJAKSA-N	246.394	4.742	0	10	BJAE	
Cc1cc(C)c([C@H](O)CC2CCCCC2)cc1C	148177968	SGGNKRYTFWPJNR-QGZVFWFLSA-N	246.394	4.616	0	10	BJAE	
CCCCC[C@@](C)(O)c1cccc2ccsc12	163188250	VIFKMWMBHZLART-OAHLLOKOSA-N	248.391	4.689	0	10	BJAE	
CCC[C@H](C)[C@@H](O)c1ccc(C(C)(C)C)s1	165598049	YNPVXNWVJUCDNC-GXFFZTMASA-N	240.412	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1(C)CCCC1	167827210	VHZMLDNAXSPRGT-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@H](NCC)C1C[C@@H](C)C[C@H](C)C1	168026497	OUKZQTPKAFOKPY-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCCCc1oc(C)cc1-c1ccccc1	205226675	ADAQIDORZWADQH-UHFFFAOYSA-N	214.308	4.598	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](C)c1ccc(C)cc1C	212639165	IVIUFAQUVVEGKB-DOTOQJQBSA-N	247.426	4.575	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1C[C@@H](C)CC(C)(C)C1	224956077	LCMHQBLGJWRHOV-YPMHNXCESA-N	249.373	4.761	0	10	BJAE	
CC(C)=CCN[C@H]1CCC[C@@H](C(C)(C)C)CC1	228873299	WSAGRHMTXMGVKY-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)Nc1nc2cc(C)ccc2s1	230965565	DSVVFLGQBOOGCN-UHFFFAOYSA-N	248.395	4.595	0	10	BJAE	
CCC[C@@H](CC)Nc1ccccc1C(C)(C)C	233284640	SQBGSVNTXFZCMK-CYBMUJFWSA-N	233.399	4.975	0	10	BJAE	
Cc1ccc2[nH]cc(CCC3CCCC3)c2c1	235989097	PNQMFPNOUVHFAJ-UHFFFAOYSA-N	227.351	4.599	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@H](C)C1CC1	252905782	SPOUXEIMEGNXEW-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
Cc1nc(C2CC2)sc1-c1ccc(Cl)cc1	304357243	ROHPSHQEFOJZED-UHFFFAOYSA-N	249.766	4.649	0	10	BJAE	
C[C@@H](C[C@@H](N)CCC1CCCCC1)C(C)(C)C	305951574	NCLIOZPQXANIOP-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](C)Nc1cc(OC)ccc1C	306031705	WJDYMJFJNQRQBX-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
O=C(CC1CCCCC1)c1ccsc1Cl	306312096	DOJFJZQIJYYQPX-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CSc1cccc2sc(C)c(Cl)c12	306805408	AHOIGHKKRASJND-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CSc1c(Cl)sc2cccc(C)c12	306959706	YHCJJUKFXLVJID-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1cc2c(Cl)csc2cc1Cl	307308777	OWAQSKOAQVBWIT-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCCN[C@H](CCCCF)[C@@H](CC)CC(C)C	308055113	BQZVKVLTZQMCBU-LSDHHAIUSA-N	245.426	4.567	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)CCC(C)(C)C	310240453	CUVXXDAWHYJTBQ-HNNXBMFYSA-N	234.383	4.670	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)C1(CCC)CC1	310298993	PRYXTCLTTCHFQU-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCCN[C@H](c1ccccc1)C1CC1	313286063	UJHFMZBFQXDGQP-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](N[C@H](C)C[C@@H](C)CC)C1CCCC1	313408253	LWRYMAPJPKQHIS-LZWOXQAQSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@@]1(CNC(C)(C)C)CCC[C@@H]1C	318111428	AHZUQZBGUHBXNA-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H]1C[C@H](C)Nc2ccccc21	320255381	WWYVWYGEDRIVHO-PWNZVWSESA-N	231.383	4.657	0	10	BJAE	
CCC[C@](O)(C1CCC1)[C@@H]1CCC[C@H](CC)C1	322368599	IVZSVOMIWACZGV-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@@H](C)C1CCCCC1	379945612	YVVUJAMUJKZMAM-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCC/C=C\CCNCC(C)C	383396327	QJOGCNOBFJUHIN-CLFYSBASSA-N	239.447	4.785	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CC2=CCCCC2)C1	383463589	JVELEDQYXNUOHP-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
CCCC1(C(=O)c2ccc(C(C)C)cc2)CC1	383552147	XJXHCCQQDNQPNA-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1ccccc1CCC	384663987	PCVDFESRCNKLJJ-RHSMWYFYSA-N	247.426	4.855	0	10	BJAE	
CCCN[C@H](c1ccc(C)c(C)c1)C1(CC)CC1	384995063	RHKOBLGCYZWIDI-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCc1c(S)sc2ccc(C(F)F)cc12	396239964	KMQBJPAHALDGAN-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1csc2c(S)ccc(C(F)F)c12	396249131	RKLWHLAJKYLCIZ-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H](C)C1CCC1)NC	398695814	IDTYZAXFJFRTIV-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@@H](C)C2CCC2)cc1	398747157	OZTLUPLPHBTPSK-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(C(=O)[C@H](C)C(C)(C)C)cc1Cl	399095312	BSEMGMLZTKRDGZ-JTQLQIEISA-N	238.758	4.513	0	10	BJAE	
C[C@@H](CC(=O)[C@H](C)C(C)(C)C)C1CCCCC1	399145284	HKBUJYNIJIVPGR-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@H](C)C(C)(C)C)cc1	399189402	VIJIMYRIDJSOPG-HEHGZKQESA-N	248.410	4.916	0	10	BJAE	
CCCc1ccccc1NCC1(C(C)C)CCC1	687271613	LZWOTPKXZBUCDN-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
C[C@H](Nc1ccc2sccc2c1)C(C)(C)C	687710726	XIYGVGKYGABNST-JTQLQIEISA-N	233.380	4.748	0	10	BJAE	
CCC1([C@@H](N)c2cccc(C(C)C)c2)CCCC1	688914852	NLCRDBKYSGCGMC-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@@H](C)C(C)(C)C)c1	688972591	ZKHZBAARWLYBNS-CZUORRHYSA-N	248.410	4.916	0	10	BJAE	
CCCC[C@](N)(CC)CC(C)(C)C(F)(F)CC	691032451	FNCSXIMXUUJQMW-CYBMUJFWSA-N	249.389	4.746	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1ccc(C)c(F)c1	691143825	ZITAWLQZRNRRBW-BBRMVZONSA-N	249.373	4.905	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)C(C)(C)CC	695101645	WEJYDKRRTXOYDC-KGLIPLIRSA-N	227.436	4.760	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1snc2ccccc12	695157755	VRVHERZYUAYMMO-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1N[C@@H]1CCCC2(CC2)C1	695718947	XOUGMOKOHGRVDH-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1ccc(C)cc1C	696661626	USHRFDUICAMUIZ-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCC[C@H]1C(C)C	696678292	NEZYLCCBURGWOC-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCCCc1cccc(F)c1Cl	698103701	IOBVPDDWQAZMMQ-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@]1(C)C[C@@H]1C	704390921	VAWRIJLETPNZJA-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@H](N)[C@@H](C)CC(C)(C)C)c(C)c1	704726651	CABUCPKZFGDXOH-GOEBONIOSA-N	247.426	4.684	0	10	BJAE	
CCCC1CCC(N)([C@@H]2CCCC[C@@H]2C)CC1	704833450	RJXUFYAXTNGTPK-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCCNCC/C=C(/C)C[C@@H](C)CC(C)(C)C	709089374	SUUPOIFIGYFTKW-KQGZCTBQSA-N	239.447	4.785	0	10	BJAE	
CCc1cc(Cl)c2c(CC)ccc(CC)c2n1	709742229	FYUJUOVVONQARW-UHFFFAOYSA-N	247.769	4.575	0	10	BJAE	
CC(C)CCCCN[C@@H](C)CC1CCCCC1	709769688	FXWQIQTZRHDXIZ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@H](NC)c1ccc(C(C)C)cc1	710206559	XIESNBALPUBUEZ-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
C[C@H](C[C@@](C)(N)CC1CCCCC1)C(C)(C)C	710720569	PGTNIIMIWODVOO-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@@H](C)C(C)(C)C	710752481	UFOVUBPQQIYERZ-OLZOCXBDSA-N	228.420	4.636	0	10	BJAE	
CN[C@H](c1ccccc1)[C@H](C)C[C@H](C)C(C)(C)C	710759160	DVUDANFZVHRQJD-YCPHGPKFSA-N	247.426	4.656	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(N)C[C@@H](C)CC(C)(C)C1	713147239	GNSIXOZRUDGXRW-BBRMVZONSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)CC[C@H]1C[C@H](C)CC	717466316	QSIYNTDPKGGWCN-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CN)[C@@H]1C[C@@H](C)C[C@@H](C)C1	719378280	UGXPAAQVBSHFFD-FXUDXRNXSA-N	239.447	4.604	0	10	BJAE	
CC1(C[C@]2(N)CC[C@@H]3CCCC[C@@H]3C2)CCCC1	723614230	VLSQHAVOWXFMOQ-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
C1CCC([C@@H](NCCCC2CCC2)C2CC2)CC1	723992217	GXLMBTIFLQNNEV-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(-c2cc(F)c3occc3c2)c1	725380225	SZZTVDSLJOPGPF-UHFFFAOYSA-N	240.277	4.856	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)CCCC(C)C	1183573102	QPEZFPFPXNRHCQ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
C=C/C=C\CCN[C@@H]1CCC[C@@H]1CCCCCC	1659932216	WBPQSRHXLOHYPK-YSNMCSLZSA-N	249.442	4.847	0	10	BJAE	
C=CC=CCCN1CCCC2(CCCCC2)CC1	1877241997	ZXBWPMCKBZLXRV-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1CCC(C)(C)C1	1902293594	NDMKAIHWFISZKK-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCc1cscc1N[C@@H]1C[C@@H](C)C[C@@H](C)C1	1902377814	YLNHCRSIIKBZDO-PJXYFTJBSA-N	237.412	4.547	0	10	BJAE	
CCCCC[C@H](O)CC[C@H]1CCC(C)(C)C1	1903370963	WLFSCHPPEDQIDW-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CCCCCCC1=O	1905443597	ILAPDQJFFLTMJS-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
C=CC=CCCC(=O)c1csc2ccccc12	1911779009	VHVQFUQKUHUQOS-UHFFFAOYSA-N	242.343	4.606	0	10	BJAE	
CC1(C[C@H]2CCCCCCCC[C@@H]2O)CCC1	1913397391	FXDRZGPULVNNLC-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCCC=CCN[C@@H]1CCC[C@H](CCC)CC1	1914681108	ZUJQLLGJOQXVKV-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H]2CCC3(CCCCC3)C2)C1	1915886362	RENYSHYCDJBJCR-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)[C@H](C)C1CCCCC1	1924111391	OJYMQYXXBGJFMJ-UKRRQHHQSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H](C)C1CCCCC1	1924137970	FXQRMJKPQFVHHL-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(NC[C@H]2C=CCCCC2)c(Cl)c1	1925934513	NFVBMTUQOSOEQN-ZDUSSCGKSA-N	249.785	4.807	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@H]2C=CCCCC2)[C@H]1C	1925946622	VFNBSHNAHBOCDW-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@H](C[C@H]1C=CCCCC1)NC	1926387294	OQMPMZYKOFVDKE-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CCC1(C)CC1	1935876153	KZCSQNXMBWDTHD-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C(=O)c1cc(C)sc1C)C(C)C	1936209182	MSYZISJIZNBCKX-LBPRGKRZSA-N	238.396	4.620	0	10	BJAE	
CC[C@@H](C(=O)CCCCCC1CC1)C(C)C	1936414027	AJXSDMWNHVTTJA-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1(C)CC(C)C1	1936669944	HSEVAPVRFRQADR-OWYJLGKBSA-N	224.388	4.598	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@H](C)CCC(C)C	1937161271	FTNALJOESXKBTH-UKRRQHHQSA-N	228.420	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@]1(O)CCCC(C)(C)CC1	1940168307	XYURSITUYPXOBC-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1ccccc1C(C)C	1940616899	TVKXCWTVVWANKC-MRXNPFEDSA-N	231.383	4.556	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)C1(CC)CC1	1940878179	UXTASSRBZLMPCO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]3CC[C@@H]32)c2sccc2c1	1941024547	JVNRYMVQDLNMTJ-WCFLWFBJSA-N	243.375	4.502	0	10	BJAE	
CC1([C@H](O)CCCCCC2CC2)CCCCC1	1941572702	DOVBVCRCXGCZLX-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC1CCC([C@H](N)CCCCCC2CC2)CC1	1941586225	JMSBXCXMXCBWHK-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CNCC1(C)CCCCCC1)C(C)C	1941935584	TWSNECARYYXJOI-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(NC2C[C@H]3CC[C@@H]3C2)cc(C)c1Cl	1941958150	KUGRZVTUERAPTM-VXGBXAGGSA-N	249.785	4.557	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](CNC(C)C)C(C)(C)C	1942655080	GEBBHDDVLHEIBF-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H]1CCNc2ccccc21	1942664113	WBOBQLTYCBMUCX-KBPBESRZSA-N	231.383	4.658	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@H](C)CCC(C)C)c1	1942664302	WSGJZXVQFFLOQX-CQSZACIVSA-N	232.367	4.558	0	10	BJAE	
C[C@H](CC(=O)C(C)(C)C1CCCC1)C(C)(C)C	1944647375	VVEYTSXBADBLBJ-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H]1CCC[C@@H]1C)C(C)(C)C	1944796790	IFJADCXDGHAGKL-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
Cc1ccsc1[C@H](C)N[C@H]1C=CCCCCC1	1946324780	JEPZSNBEXKTSDP-KBPBESRZSA-N	249.423	4.596	0	10	BJAE	
CCC1(C)CC(NC(CC(C)C)CC(C)C)C1	1948393667	VUNVQLAUQCXQSO-UHFFFAOYSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(C)c([C@H](N)CCC2=CCCCC2)s1	1949048061	FNYRDAYQWFBZFL-CQSZACIVSA-N	249.423	4.645	0	10	BJAE	
CC(C)CCC[C@H]1c2ccccc2NC[C@@H]1C	1949113157	VNSDXKDEPZPRAH-UONOGXRCSA-N	231.383	4.658	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)CC2CCCC2)C1	1949861920	KSEVAOIXMDUGGA-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC=CCCc1ccc(OCC)c(C(C)C)c1	1951309365	YHQXZYZWFJXTDD-UHFFFAOYSA-N	232.367	4.717	0	10	BJAE	
CCCCN(Cc1ccccc1)[C@H](C)C(C)(C)C	1953351596	SYDHHRMXBWKSFH-OAHLLOKOSA-N	247.426	4.723	0	10	BJAE	
CC(=C(F)F)C1CCC(C(C)C)CC1	1956622611	LYKCKSGTZKHCDB-UHFFFAOYSA-N	202.288	4.619	0	10	BJAE	
CCCC1(CNC2C[C@H]3CCCC[C@@H]3C2)CCC1	1965938507	QOMISUAQMLKAJR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NCC2[C@@H]3CCCCC[C@@H]23)cc1C	1968254116	BKXMRKWEPQLTKC-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
Cc1cccc(NCC2[C@H]3CCCCC[C@H]23)c1C	1968254381	GFYLNADXUSHBML-GJZGRUSLSA-N	243.394	4.542	0	10	BJAE	
C[C@H]1C[C@H](C)N(C[C@@H](C)CC(C)(C)C)[C@H](C)C1	1970138911	PFBASYAIUOTXGF-ZQDZILKHSA-N	239.447	4.568	0	10	BJAE	
CCCCC1CC(N[C@@H](CCC)CCCC)C1	1971389682	OQGAJUFQDZKFIK-PCKAHOCUSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CC=CCC1	1976654626	NNRXBSLGEHENLI-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
Cc1cc(C(=O)CCCC2(C)CC2)c(C)s1	1978417224	SQPHZSQPGUBQRP-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCC(N)(CCC)C1=CCCCCCC1	1978588536	NJFMSITVUMKRQI-UHFFFAOYSA-N	223.404	4.565	0	10	BJAE	
C=C=CCCCc1cccc2ccccc12	1985443200	IHGGTBNMRXYGHW-UHFFFAOYSA-N	208.304	4.504	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@H](C)C(C)(C)C	1986938960	QKLYGNVITVKRMA-DZGCQCFKSA-N	228.420	4.636	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(F)cc1	1990093142	ICPUJELHXWTDFQ-CYBMUJFWSA-N	223.335	4.597	0	10	BJAE	
CCCc1coc2ccc(C(C)(C)C)cc12	1995443969	FWZCXSJMYAMICM-UHFFFAOYSA-N	216.324	4.683	0	10	BJAE	
CC(C)CCCCN[C@@H](C)C1(C)CCCCC1	1995991336	OLKSXFQFGJJYSM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC/C=C/CNC[C@@H]1CCC[C@H](CC)CC1	1997215827	RBWIVUCAIGUEKE-BUWFCSEKSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](C(C)(CC)CC)[C@]1(C)CC=CCC1	1997551441	LNEMGTUNEJYZLP-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@]2(C)CC=CCC2)C1	1997607408	UOGBYJKPBKOLPI-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](CC(=O)CCC1CCC1)C1CCCCC1	1998038634	UEIJVFVBSANQBX-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)C1(C(=O)CCC(C)(C)C2CC2)CCC1	2000197436	YSYKYHBHAIMRFY-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CC(=O)C(CC)(CC)CC)CC(F)F	2000214705	HGKCIWGFMHYKOG-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
CC(C)C[C@H](N)C1CCC2(CCCCC2)CC1	2000275614	SVKFFRUCIRJKEC-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@@H]1CCCC[C@H]1C	2000505865	VSAXDVHGLHMREJ-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1CC12CCCC2	2001272225	RWPXZTUEUDZDQG-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H]1CCCC(C)(C)C1	2002980255	XHORWGGIZYULBL-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(O)CCCC2CCC2)C1	2002999577	VNQYHQJWGBNYSG-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@@H]1CCCC2(CC2)C1	2003191933	QTMDESCCCOLMGF-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1(C)CC(C)(C)C1	2004229851	VBZNCRWPLMMGOP-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](N[C@H]1C=CCCC1(C)C)c1cccs1	2006903098	XJVDHVSCIICBHK-OCCSQVGLSA-N	249.423	4.534	0	10	BJAE	
CCCC(CCC)CN[C@@H]1C=CCCC1(C)C	2006912942	ONRNQRUQSBNLNE-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)[C@@H](NC[C@H](C)CC(C)(C)C)CCC1	2006924877	HHHWCYXXAUYEJW-DOMZBBRYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@@H](C)CCC)CC[C@H]1C	2006956577	HYTDUZAYDULMKB-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H]1CCC(C)(C)CC[C@H]1CCCC(C)C	2009406827	JIRYPBVRHOJJHI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H](O)C1CCC(C(C)C)CC1	2009593664	OVPMWLQXRLXHFD-GPANFISMSA-N	238.415	4.556	0	10	BJAE	
CCCCC(C)(C)NCC1CCC(CC)CC1	2013527733	FFWVKHQFVSOGMX-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CNC[C@@H](C[C@@H](C)C(C)C)C(C)(C)C	2015398498	LTHVUECMWZYAGI-HUUCEWRRSA-N	241.463	4.577	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CC12CCC2)NCCC	2015532049	XGKLLLLLKZIEAZ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](O)(CC1(CC)CCC1)C1CCCC1	2015600099	XKWZJSYLDJOWOO-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@H](O)C[C@@H](C)C(C)(C)C)CCC1	2015632946	FJZCZLIGQMAMNX-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCc1ccc(NC[C@@]23CCC[C@H]2C3)cc1Cl	2016322456	BGNKKXPNIRCFPT-WFASDCNBSA-N	249.785	4.505	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)[C@@H]1CCC2(CCCC2)C1	2017703221	RMYWOFBBBWIFBW-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C)CC[C@H]1CC[C@H](CCC)CC1	2017732252	ZNZGASHSQQPBSN-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)C[C@@H](C)CC(C)(C)C	2017787779	LAXIWLKNBJGLDG-UONOGXRCSA-N	241.463	4.815	0	10	BJAE	
CCCC1(Cn2ccc3ccc(Cl)cc32)CC1	2018920494	CWRVCSJISPZBLK-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCCCN(CC=C(C)C)C1CCCCCC1	2020505035	WLSZYNPHQCRMID-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H]1C[C@@H]1C(C)(C)C	2022501273	GUEQXFPDAZFNRF-YCPHGPKFSA-N	239.447	4.604	0	10	BJAE	
CC[C@](C)(O)CC[C@H]1C[C@H]1C1CCCCCC1	2022528629	JSOLXYOGXWMKMH-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1C[C@@H]1C1CCCC1	2022558988	ATKQLLLVPBORIJ-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CC(=O)C[C@@H](C)CC(C)(C)C	2022562073	YOWMYYURDDUNDC-UMVBOHGHSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1ccc(C)cc1	2026168389	ZTBBNRNVMYMOFZ-CJNGLKHVSA-N	233.399	4.601	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)c1ccc(C)cc1	2027313782	JEZKTIUNYLQKHQ-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCN[C@@H](CC)CCCc1ccccc1C(C)C	2027498535	HARNPFYQCJOIIB-INIZCTEOSA-N	247.426	4.521	0	10	BJAE	
CN[C@H](CCC[C@@H]1CC1(C)C)CC1=CCCCC1	2027855090	LVGPMAHZGXRMCF-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1[C@@H](N)CCCC1(C)CC1	2027902735	CIAFOIFNTXTRRV-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
C[C@@H](CCCCCC1CC1)C(=O)c1ccccc1	2028627769	GSVYDMZKAWQGCB-AWEZNQCLSA-N	244.378	4.866	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@@H](C)C1CC1	2028908835	VJYWHIDDPCAJQD-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCC1CC(Nc2ccc3c(c2)CCCCC3)C1	2034905213	WMVXUBLLYRIGRX-UHFFFAOYSA-N	243.394	4.556	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCC12CCCC2	2035402237	CAIKMVICLQGKGL-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCNCC1(C[C@@H]2C=CCC2)CCC(C)CC1	2035593700	SURVIIWSSYIDLZ-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CC1(CC(=O)c2cccc(C3CC3)c2)CCCC1	2036352310	MWDQJOAUKPTPAL-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC[C@@](N)(CCCC(C)(C)C)c1cccc(C)c1	2037105445	KNPCHVLFCHXNDT-QGZVFWFLSA-N	247.426	4.775	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1ccc([C@@H]2C[C@H]2C)o1	2037169481	VRFLSMMGNXGBSP-MCIONIFRSA-N	247.382	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@@H]2CCC3(CCCC3)C2)C1	2037673689	YOIFIYMTMYQKBI-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCc1cc(NC2C[C@@H]3CCC[C@H]3C2)ccc1C	2038621258	FOFJUCUOFOBPRO-GJZGRUSLSA-N	243.394	4.548	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)CC23CCC(CC2)C3)C1	2039420848	NZLQSLWXCYRHSY-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCC1CCCCC1	2039441996	PXRQNSQTWJMYQO-USXIJHARSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@]2(CNC(C)(C)C)C=CCC2)C1	2040182307	PDSBIUFSHGFPKN-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)c1cccc(CC)c1	2040725685	JUHQRGHCTLCLGW-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CN[C@H](CC1CCC(C)CC1)[C@@]1(C)CC=CCC1	2042027162	KQKSTLMHDGGXIX-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)C[C@H]1CCC=CCCC1	2045318226	SUDAWISIOZWELC-IXDOHACOSA-N	249.442	4.668	0	10	BJAE	
CC(C)(C)[C@@H](NC[C@H]1CCC=CCCC1)C1CC1	2045318802	YROJMPCZQDGCJY-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](C[C@@H]2CCC=CCCC2)NC)CC1	2045323059	JMFGTACXCPRFDR-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
O[C@]1(C[C@H]2CCC=CCCC2)CCC12CCCC2	2045331778	IXTOOUGIBDIFAE-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)[C@H]2CCCC(C)(C)C2)C1	2045532522	QDZKBOHPEWPJJD-TUUVXOQKSA-N	249.442	4.523	0	10	BJAE	
CNCC1(C[C@H]2CC23CCCCC3)CCCCC1	2047006740	DAMHIQHMULSJMT-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC[C@]1(C[C@@H]2CC23CCCCC3)CCCCCN1	2047017042	SNLWDAOOYCCBNO-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)C[C@H]1CC12CCCC2	2047060314	WRMQMIFMUFLCMZ-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2048445162	OARIKSMAESCTLM-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCC(=CC1[C@@H]2CCCCC[C@@H]12)CNC(C)(C)C	2048557994	XEKVAKVNCGWCRZ-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1CC(C)(C)C1)[C@@]1(C)C=CCCC1	2050002644	JMOUBHDWTQNKHY-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CN(CCCCCC1CC1)[C@@H]1CCCC12CCC2	2053431923	ZGRCGHVWGMADSX-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CCCC[C@@H]2F)cc1	2055157895	CIJSMUMLMNHJPN-JKSUJKDBSA-N	249.373	4.722	0	10	BJAE	
C[C@@H]1C[C@H]([C@@H]2CCCC[C@H]2F)c2ccccc2N1	2055186378	PSJYNPDWDVUUDA-AYRXBEOTSA-N	247.357	4.503	0	10	BJAE	
Cc1cc([C@@H](C)Nc2ccc(CF)cc2)c(C)o1	2055678955	XBOSSXYQBPOHQF-LLVKDONJSA-N	247.313	4.539	0	10	BJAE	
C[C@H](C[C@@H](N)C1(C)CCC2(CC2)CC1)C1CCC1	2056556879	NMCNWOAHSMVGFY-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c([C@H](O)C2(C)CCC(C)CC2)c1	2056558908	MIUMBDOAQWBRLF-PDOTXMHQSA-N	246.394	4.553	0	10	BJAE	
CCC1CC(CNC2(C3CCCCC3)CCC2)C1	2056728841	XRMZFXBPOLNCCF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)CNCC=Cc1ccccc1	2059106967	OOJAQUAXXVEZDH-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CC(C)c1cccc(NCC[C@]23CCC[C@@H]2C3)c1	2061571008	HKKJXJQXYDUKAU-WBVHZDCISA-N	243.394	4.802	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC[C@]23CCC[C@@H]2C3)C1	2061606627	MRDDGVKZYCPGCV-FAYQHZLMSA-N	246.394	4.518	0	10	BJAE	
N[C@H](CC1CC(=C2CC2)C1)C1CCCCCCC1	2061668248	NQGMMNBEKBXMIX-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC1(C[C@H]2C[C@H](N)CC3(CCC3)C2)CCCCC1	2063638574	HAINPELTRLLQTI-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC1CCC(C[C@@H]2C[C@H](N)CC3(CCC3)C2)CC1	2063641451	NOEASVUZWTULBF-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CC12CCC(CC1)C2	2065276394	CWFSVRUKMMDUNV-IEKCDTDMSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@](N)(CC)CCC(C)C)cc1	2065991747	AMGSBLDQJMBEJU-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC(C)c1cccc(NCC(C(C)C)C(C)C)n1	2066348841	GVWXTDSYAHJQDI-UHFFFAOYSA-N	248.414	4.545	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1CCC2CC1C2	2069264619	CXXKJQIWWYGTBC-SJJHQCBESA-N	249.442	4.514	0	10	BJAE	
CC(C)C1(C[C@H](C)[C@H](O)c2ccccc2)CCC1	2071908473	NTPRMODSVOQRDA-HOCLYGCPSA-N	246.394	4.573	0	10	BJAE	
C[C@H]1CC[C@H](CC2(N)C3CCCC2CCC3)CC1	2072793923	OXXCSFNNJDJXJH-PMBQJETBSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)C2(C3CC3)CCCC2)CC1	2072797615	AVHUKBVPEAYZFZ-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@H](NC)C2(C)CC=CC2)CC1	2072808560	HEBDDDAHQQZLMD-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCC3(CCC3)NC2)CC1	2072811362	DEIUPFDZQHHCAN-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C=CCC2CCNCC2)CC1	2072818508	NCXUGXZWXIMCLE-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@@]12CCCC[C@@H]1C2	2074092372	XAZWMSCCRYQMTN-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCCCC3(CCC3)C2)C1	2074888414	KJGFMSGXXCAUGS-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H](C1CCC1)N(C)[C@@H]1CCC12CCCCC2	2075011067	RAQXOKIPQRCKFI-JKSUJKDBSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC2(C1)CC(O)(CCC1=CCCCC1)C2	2075708236	AHOSRKQZPYKLLW-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)CN(C[C@@H]1C=CCCC1)C1CCCCC1	2076588931	CJYHMINYTAHZQK-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
CC=C(CC)[C@@H](NCC)c1ccccc1C1CC1	2077197890	VZZYQTKFQDTDLZ-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2CCCCC23CC3)c1	2077265487	UUERRYOEONROCK-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H]1C[C@@H]1C1CCCC1	2079491679	KTYCDGOJZUROIN-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccccc1NC[C@@H]1C[C@@H]1C(C)(C)C	2079622160	ZPVIPOHPRYHVNJ-GJZGRUSLSA-N	245.410	4.733	0	10	BJAE	
CCc1ccc(CC)c(NC[C@@H]2C[C@H]2C(C)C)c1	2079623874	JGDULRZQWPPZLX-HOTGVXAUSA-N	245.410	4.515	0	10	BJAE	
NCC1(C[C@H]2C[C@H]2C2CCCC2)CCCCCC1	2079660924	NQOJUISQICBKRB-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](C)C=C[C@@H]1C[C@@H]1C1CCCCCC1	2079703845	XFPJRTNLQNHANV-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCc1c(C(C)C)nn(C(CC)CC)c1Cl	2079823957	NIAJZNKHQWXOEG-UHFFFAOYSA-N	242.794	4.583	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)C1(CC2CC2)CCC1	2079840451	CAUXFWXABJJNEN-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(C[C@@H]1C[C@H]1C1CCCC1)C1CCCCC1	2079882853	AXRZYRJSJUAKPP-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC(C)(C)C)([C@H]2C=CCC2)C1	2081681822	HGVGXFYPSRXVOI-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCC[C@@H]1C(C)C	2081944119	FLEURQGXMQOFLL-ZBFHGGJFSA-N	249.373	4.625	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@@H]2CCC=CCCC2)C1	2084999554	XMVQFHQOXYMGKR-MNAZLIDISA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1cc(C)cc(C)c1	2086054952	XAWFPNGJGARABQ-CXAGYDPISA-N	247.426	4.910	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CCCCCCC1CC1	2213572966	BXPOKJRWQANMEC-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(N)c(SCCCCC2CC2)cc1C	2214558201	XYJCIZHOXREPDP-UHFFFAOYSA-N	249.423	4.558	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CCCCC1CC1	2214566089	SLDYULOSLYRETL-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)(CC)[C@H](CCCCC1CC1)NC	2214582668	NBEOKKYUMXCKFL-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
N[C@H](CC1=CCCCCCC1)C1CCCCC1	2214778444	UCWJGJCKGFNCPK-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)CC(=O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216747146	KYKGIVAZPVPYSJ-QLFBSQMISA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC(C)C)C[C@@H](C)C(C)C	2217138070	LYMIQDHOZMCTAQ-PMPSAXMXSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218339926	OIRMNDKEAPFOKE-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CC12CCCCC2	2218717770	HKYBSRRNCNNEPT-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)c1ccc(C)o1	2218733371	WVTJXIGAEBVNAB-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NC1CCC(C2CC2)CC1	2218896996	PFVSIZREKJHRRO-LYAPFXNSSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)CC=Cc1ccccc1	2219071346	NCMBWNSIZJWTLL-RDJZCZTQSA-N	246.394	4.523	0	10	BJAE	
C[C@@H](CC1(C)CC2(CCC2)C1)[C@H]1CC[C@H](N)CC1	2221031491	HDEGQHIDDIDTDZ-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](NC)[C@]1(C)CC=C(C)CC1	2221632393	QMFZHJFYUNLPFT-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1	2222955875	XLJPRIGCCCAWAA-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1CC[C@H]2C[C@H]21	2223106291	AEJNQSMLAZDURF-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)c2ccsc2)C1	2242764098	UVHBMRQNNDQKAT-VXGBXAGGSA-N	236.380	4.537	0	10	BJAE	
CC(=O)CC(C)(C)CC[C@H]1CCC[C@@H](C)C1	2242770440	PBVFBHCCNRXTOT-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](O)[C@H](C)CC[C@H](C)CCCC(C)C	2244846205	ZPQUMNPAUDCLLM-KFWWJZLASA-N	228.420	4.636	0	10	BJAE	
CCC(CC)[C@@H](O)CC[C@H]1CCCCC12CC2	2246626844	MTXMCDLXXYKHEL-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](C)(N)c1cc(C)c2sccc2c1	2248579484	VMCMTBKFYVNYRH-OAHLLOKOSA-N	247.407	4.574	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCCC1(O)CC(C)(C)C1	2248824079	WRQSIBMYEKBIFC-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@H]1CCCC(C)(C)C1	2250354365	CMQGXABMDFJIDI-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)[C@H](CC)CCC	2250357193	USKRLHQDCYFBHP-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@@H](C)[C@H]1O	2250477839	BTOFXELSUQOILU-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCN[C@@H](C)C1	2250478056	DXEDRKDXSPOROG-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCC[C@H](N)C1	2250479802	YRLZVNXHOWVCCC-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC1=C[C@@H](NCC[C@@H](C)CCCC(C)C)CC1	2250490344	IDZOSNLSDFSUBI-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1(CN)CC=CC1	2250515868	CWOGMEUATFOUCQ-OAHLLOKOSA-N	237.431	4.524	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@]12CCC[C@H]1CC2	2251221069	NNGNWXUXTKJOBF-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(F)C[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251724346	NMGNIJWTLPVYCS-LLVKDONJSA-N	240.362	4.671	0	10	BJAE	
N[C@@H]1CCCCC[C@H]1CC[C@H]1CCCCC12CC2	2253820448	KWFGFIGBQRYJNZ-ARFHVFGLSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@H]1CCC[C@@H]1C)CC2	2253869673	JNOUYBPMLHIQIY-MAZHCROVSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@H]2CC23CCCC3)C1	2253939933	WQQNWWNFVJNVPY-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](CC2CC3(CCCC3)C2)NC)CC1	2254122921	HSQYCKNEHIMUOU-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H](N(C)CC2=CCCCC2)CC(C)(C)C1	2255059702	XVEPSYHKZRFBAR-ZBFHGGJFSA-N	249.442	4.633	0	10	BJAE	
CCNC[C@@]1(CC2=CCCCC2)CCC[C@@H](C)C1	2255104829	XSKSIGUAFDRYIL-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(CC[C@H]2CCCC23CC3)C1	2255256614	ACXAIQNPMHPTOW-OAGGEKHMSA-N	249.442	4.502	0	10	BJAE	
CCC[C@](N)(CC[C@@H]1CCCC12CC2)C1CCC1	2255333580	STRRTDCCINSNNY-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)[C@H]1CC12CCC2	2256412920	VLCWIYYKEXUJPR-UKRRQHHQSA-N	243.394	4.801	0	10	BJAE	
CC1=CC[C@](C)(NCCCCC[C@@H]2C[C@@H]2C)CC1	2257313961	XKLCPRYVVZGURS-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@]12CCCC[C@H]1CC2	2260487185	LKBASNCPLUYBLB-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@]12CCCC[C@@H]1CC2	2260488372	IIZHWGBWDYRMRO-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(NC[C@@]23CCC[C@@H]2CC3)CC1	2260537068	KGWMFDISPBHRPM-MYBQVCMBSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](C)(O)c1cccc(C2CCCC2)c1	2260660815	BLBTYZVKDNHQOC-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)C[C@@H]1C[C@H]1CCC	2297876901	RMEAJYPLOKEQOG-WCVJEAGWSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)C12CCC(CC1)C2	2300673284	GFYJALXNPJSFCF-HWOWSKLDSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H]1CCNc1cc(C2CC2)ccc1Cl	2300674013	PCHOQORUUSZBFS-JQWIXIFHSA-N	249.785	4.675	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CCCCC12CC2	2300689053	UEXVLVWHLWAWIN-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC1CC1)Nc1cc(C2CC2)ccc1Cl	2300694827	KRYIWASKNGEDFE-SNVBAGLBSA-N	249.785	4.818	0	10	BJAE	
CCC(C)=CCNc1cccc(C2(C)CC2)c1	2300863069	KZIMWYQLAOSJKJ-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@@H](O)C1)CCCC(C)C	2300864650	CZXUJHYSGNCDSU-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301143271	SCSRWDMERAKUSL-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N[C@]1(C)CCCC(C)(C)C1	2301965365	SMIPEUMSULZBJP-OFQRWUPVSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)[C@@H](O)C[C@@H](C)CC(C)(C)C	2301965505	UMKXRCRQINVBEK-KBXIAJHMSA-N	242.447	4.738	0	10	BJAE	
CCC(CC)CC[C@@]1(CN)CCC(C)=C(C)C1	2303474876	IAGLZLQJNFJAOM-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1CC[C@H]1C(C)(C)C	2303476930	UTJVILQMFMKJBX-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1cccc(C(C)C)c1	2303716861	CZCCINXNGFQMOQ-DWTRPJMMSA-N	232.367	4.590	0	10	BJAE	
CCC1(C(=O)CC[C@@H]2CCC(C)(C)C2)CCC1	2304419006	WGWUGFSQSZBXFN-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCCCC1(F)F	2307761533	SZKDDFSTWZIWJO-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CCC)CNC1CCC1	2307844555	OCGFEKHNAJBUFO-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@@H]1CC1(C)C	2307900333	FQDONOBSSVHVJV-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C)[C@@H](O)c1ccccc1	2307906751	IELKMAKERRUKGG-IJEWVQPXSA-N	234.383	4.573	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@H](NCCC1CCCC1)C2	2308399669	CTSQGPKJGZEFJA-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1N[C@@H]1CC[C@@H]1C1CCC1	2310980423	BAODAYAJLBUOFA-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCC1	2312817051	QYEXCWHVNHPYOY-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312868858	JDPTTYQPEXKPCN-NMSBFTQNSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)[C@@]12CCCC[C@@H]1CC2	2313290015	RKRZWKNRNROFEU-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)[C@@]12CCCC[C@@H]1CC2	2313307702	OWFKPSMZYHHNLM-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
CCC(C)=CCNC[C@@H]1C[C@H]2CCCCCC[C@H]21	2316488592	BYTUSMJJWSYRDL-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC(=CC[C@]1(N)C[C@@H]2CCC[C@H]21)CCCC(C)C	2316537477	QVQRRPFVVKZQKT-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1N[C@H]1CCCCC12CCCCC2	2316594596	LATIKBZBOZDGPE-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@@]1(C)C=CCCC1	2317003922	XWSHQYXDGIHKPM-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CCNc1cc(C)c(OC)c(C)c1	2317370555	XQGGGWQVUOXLAX-UHFFFAOYSA-N	249.398	4.550	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H](O)c1ccccc1C1CC1	2317821465	VVCXWGVPENIJRB-AHIWAGSCSA-N	246.394	4.526	0	10	BJAE	
CCCc1ccc([C@H](N)[C@@H](C)[C@H](C)C(C)C)cc1	2317821574	WIVYEPPORIQOQB-JKIFEVAISA-N	247.426	4.567	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@H](C)[C@@H](C)C(C)C)cc1C	2317857453	CWSCJWWTUDFBQF-ZMSDIMECSA-N	248.410	4.573	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H]1C[C@@H](C)Nc2ccccc21	2317951667	WVHHMNXFMDKXKS-HLPPOEQASA-N	245.410	4.903	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)CCCC1=CCCCC1	2318569036	OTNPXQMAEZSVHQ-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CC1CC([C@H](C)N(C)CCCC2=CCCCC2)C1	2318588724	JFEKNNLUYUIAQN-CKDBGZEDSA-N	249.442	4.633	0	10	BJAE	
C1CCCC(C[C@@H]2C[C@H]3CCCC[C@H]3CN2)CC1	2319879701	ZSKZKISOCYERAK-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC[C@H](N)c1ccccc1	2320256833	SFQIHMVWAHMXNG-IMJJTQAJSA-N	245.410	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CC2(CNC(C)(C)C)CC2)CC1	2320326759	HUQBTWDVJNBAAR-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)C[C@H]1C[C@@H]1C	2320329799	VGSNGPBLALGSCS-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2cc(C)ccc2C)CC1	2320412364	OCHVLCPIIGLJCW-INIZCTEOSA-N	243.394	4.852	0	10	BJAE	
CC1=C(C)C[C@H](CNC2C[C@@H](C)C[C@H](C)C2)CC1	2320415255	YUQYIHWETIJRBU-HEHGZKQESA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCNCc1cccc(C(C)C)c1	2320609366	JDOXDDCNYWOUQE-UHFFFAOYSA-N	245.410	4.646	0	10	BJAE	
Cc1cccc(-c2cc3ccccc3s2)c1	6815966	ZJIIZXAMPVZSOL-UHFFFAOYSA-N	224.328	4.877	0	10	BJAE	
CC(C)CC(CC(C)C)Nc1ccccc1F	20559121	NFGBUYNYWXIXLV-UHFFFAOYSA-N	237.362	4.698	0	10	BJAE	
CCC[C@H](C)CN[C@H](c1ccccc1)C(C)(C)C	36994497	RMGMBRDWJSEPDB-GOEBONIOSA-N	247.426	4.800	0	10	BJAE	
C[C@H](Nc1ccccc1)c1ccc(F)cc1Cl	37186115	GBGYMYXMNZACTA-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@H](C)C1CCCC1	70305255	JYDJSRBFZAHWJV-CQSZACIVSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCCC[C@@H]1C	71084930	YIZHXKVRUVZTPZ-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](NC[C@@H](C)C(C)C)c1ccccc1	81046515	DYZSBBGRFKEZLV-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CCC[C@H](C)C/C(C)=C/CCNC(C)(C)C	86572972	PEAIISRFLXANCE-LFGHMXSPSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](CC)CC1(CN)CCC(C)CC1	87932513	ZNVUWTLKGRMDDS-PCKAHOCUSA-N	239.447	4.748	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Sc1cccc(C)c1N	91945414	UTPXFDMQOYYLPL-OLZOCXBDSA-N	249.423	4.638	0	10	BJAE	
CCCN[C@H](C(C)C)[C@@H](CC)c1ccc(C)cc1	92599810	SUBQENJJWYOINJ-DLBZAZTESA-N	247.426	4.513	0	10	BJAE	
CC[C@H](C)[C@@H](CNC(C)(C)C)c1ccc(C)cc1	93190206	VKJHXFHKCOALLP-GOEBONIOSA-N	247.426	4.513	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C1CCC(C)CC1	94676454	TVTSODOCYBOPHL-BCLQGDPASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@H](CCC(C)(C)C)C1	109664277	DFIWHHKWAZVIOS-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C[C@@H](NCC(C)(C)C)c1ccc(C(C)(C)C)cc1	109778723	ABUCDDZMXRXRIT-CYBMUJFWSA-N	247.426	4.681	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)c1ccc(C)o1	110226890	UKZCOWSTROFPHR-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](CN)c1ccccc1	131842776	BJMRQVMWHNCMDI-NVXWUHKLSA-N	247.426	4.726	0	10	BJAE	
CCC1(CC)C(=O)C[C@@H]1c1ccc(C(C)C)cc1	161729430	HNAZBQQSZMBEGJ-OAHLLOKOSA-N	244.378	4.673	0	10	BJAE	
CC[C@@H](C)CC(=O)c1c(C)c(C)c(C)c(C)c1C	167176226	CTTWLOBNXJVLJH-SNVBAGLBSA-N	246.394	4.848	0	10	BJAE	
CCCN[C@@H](CCCC1CCCCC1)C1CC1	203530631	VRGNQBBAHNFGDR-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](NCC)[C@H](C)c1ccc(C(C)C)cc1	212841738	ODGHGCKKILQUPO-RHSMWYFYSA-N	247.426	4.692	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1CCC[C@@H](C)C1	227173246	HUMXLWVZOVGHHM-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCCC[C@@H]1CC)C(C)C	227179615	IWVLQUJFUMRPAV-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCC12CCCCC2	230166686	DNPHIDJLQVLTFY-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
Cc1ccc(C)c([C@H](C)NCC(C)(C)C(C)C)c1	232763458	AIDZUGQQSQPZCN-HNNXBMFYSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@@H](c1c(C)cccc1C)C(CC)CC	233153990	IBCOIJKZTZHVBU-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@@H]1c2cc(C(C)C)ccc2[C@@H](C)[C@H]1C	250909064	YUELGPPLGSVAET-AHIWAGSCSA-N	245.410	4.604	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	253045216	OUKZQTPKAFOKPY-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H]1CCC12CCCCC2	299961046	ZVNZEULVGOFSEQ-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CC[C@](C)(CCCC(C)(C)C)CNC(C)C	300851191	KXWPAKAFJJXYDM-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H](C)CCCC	300873520	FDHSNMZNDMPSRM-KGLIPLIRSA-N	226.404	4.988	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1ccc(Cl)cc1	301000027	WZGOMIRCSJZYLA-LLVKDONJSA-N	238.758	4.595	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](CNC(C)(C)C)C(C)(C)C	302559337	LVSKGVVORUHINE-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)[C@H](C)C[C@@H](C)C3	307983607	IPRHSGVCDREAPX-VXGBXAGGSA-N	241.378	4.977	0	10	BJAE	
CC(C)c1ccccc1-c1cc(Cl)ccc1N	310112320	RSOAZENZUFDKHL-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CCCC1([C@@H](O)c2cccc3ccsc23)CC1	310298485	POSVDIXUUJNVBO-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
C[C@H](CCC[C@H](O)C(C)(C)C)C1CCCCC1	310355079	RQSWDHQZZMCEKA-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC2(C)CCCC2)CC1	310542449	RJEWYKKEOPITBM-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1cccc(C2CC2)c1	310577417	GSMBIZVSTPRAOY-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](O)CC1(CC)CCC1	311036023	DMCWWOFVANTQDI-HOTGVXAUSA-N	246.394	4.512	0	10	BJAE	
CC(C)[C@@H](N[C@@H]1CCCC12CCCCC2)C1CC1	313011186	QBDWGOVZCXZRCE-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cc(C)cc(Cl)c1	320230712	VDZSHOONBNRTFL-MNOVXSKESA-N	238.758	4.513	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](CC)C1CCC1	322518827	IQZKWSGXMSWTQF-LSDHHAIUSA-N	225.420	4.514	0	10	BJAE	
CCC[C@H](Nc1cccc(SC)c1)C1CCC1	322724956	UPZRXUOLKRWDIY-HNNXBMFYSA-N	249.423	4.789	0	10	BJAE	
C[C@@H](N[C@H]1CCCC12CCCC2)c1cccs1	328229034	CJCDCTSJJOVOJK-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)CC1CCC(C)CC1	380203705	RTBNEHCSFQSYEW-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)C1C(C)(C)C1(C)C	383166801	RKBXDDIDEZOXOK-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCCCNCC1(C)CCCCC1	383319283	XJMABQHDNFKFAP-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C[C@@H](C[C@]1(O)CCCC1(C)C)C1CCCCC1	383955150	HBCBNMWWICCNFG-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)CC1CCCCC1)c1ccccc1	385045289	ZSMYNEKDCWJTNJ-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CCCC12CCCC2	392833144	HCQGLMSFTICFRH-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCCC12CCC2	394776258	ONCKDECWLSCEPM-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(F)c(C(=O)C2CCCCCC2)cc1C	395937039	ZRIMJVVUVMTLEC-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCc1sc2c(CC)cccc2c1CC	396201147	DKAFEMBHPLMWKI-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CCCCC2)[C@H]1CC1(C)C	397813208	OVBOLZYHRKPSHP-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1c(C)cccc1F	401795611	IGQRCFNUUIHJLO-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C[C@H]1CC=CCC1	402209841	MHBKZGYXMNYRHL-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@H](O)CCC(C)(C)C1CC1	405956265	KRSOCYMDFANEIZ-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](O)(CCCC2CC2)C1	406030087	MFOJUSVZHJCESU-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CN[C@]2(C)CCCC[C@H]2C)CCC1	687280076	ZVEGZOAMRSRUIL-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)C1(CNc2cccc(C3CCC3)c2)CC1	687531213	ZHVAKLWVWDOOCD-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CC(C(=O)CCC2CC2)CC(C)(C)C1	688310067	WYBXIWWJPHXUPN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCC[C@@H](C(C)C)C1	688450159	LQCYIGWIQJRVPC-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2cccc(C3CC3)c2)C[C@H]1C	690076812	QQARWWVYNSXOAW-PBFPGSCMSA-N	243.394	4.801	0	10	BJAE	
CCc1ccc([C@@H](CCC(C)(C)CC)NC)cc1	696591387	DMPOTJDKQCSAMC-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CC(C)(C)CC	697825710	BRXHZTNVHOUCEK-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CN[C@H](C1=CCCCC1)[C@]1(C)CC[C@H](C)C1(C)C	699009977	FNRVSGLNZQFBDB-LXZKKBNFSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2C[C@H]2C(C)(C)C)c1	699838836	WCCRAGTZBMIQRW-LSDHHAIUSA-N	244.378	4.675	0	10	BJAE	
CCC(C)(C)C[C@H](CNC(C)C)c1ccccc1	701147533	JERNWTKGYQYYQV-MRXNPFEDSA-N	247.426	4.595	0	10	BJAE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@@]1(N)CCC1CCCC1	704466084	PQOIBXCRTVLQAG-USXIJHARSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@](C)(N)CCC(C)(C)C)C1	704857728	YHXSSEXWXGKHHN-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](O)C1(C)CCCCCC1	704859875	ODFPEKYGNWFLQM-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(CC(CC)CC)C1CCCC1	704951971	OZIPOVZAGNEPMI-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2CCCC23CC3)CC1	706290413	RCWJAPMYBVQPKF-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCSc1ccccc1N[C@@H]1CCCC12CC2	706543032	GRLKKSCOBYTADP-CQSZACIVSA-N	247.407	4.543	0	10	BJAE	
Cc1cccc(F)c1NC[C@H](C)CC(C)(C)C	709099083	BBPYTBSASSKZNL-LLVKDONJSA-N	237.362	4.618	0	10	BJAE	
CC(C)c1ccccc1-c1cccc(N)c1Cl	709233732	ZMHTTZRWRLDNCI-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)C12CCC(CC1)C2	710978666	KZCSTLUIYAXSMC-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC(=O)C[C@H](CC)C(C)(C)C	711181594	VLLGZHVLAHFVKF-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
CCC(C)(C)CC1(CNC)CCCCCCC1	713336748	QVXINSHEWKNAQV-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C=C/C=C/CCNc1cc(Cl)cc(Cl)c1	713723534	YIPHKFGOBVCNGN-ONEGZZNKSA-N	242.149	4.538	0	10	BJAE	
CC/C=C/C[C@@H](C)c1ccc(C)c(C)c1	714532872	WIZYGVWEJNNALI-KTRBRXNASA-N	202.341	4.763	0	10	BJAE	
CC(C)=CCCC(=O)c1cscc1C(F)F	717202369	GPJMEBIZARDRQY-UHFFFAOYSA-N	244.306	4.615	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@@H]1CC(CC)CC	717535718	VKNBQKGZWDMWSF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCc2ccccc2N1	718649160	UIVXYGCXCVRAPQ-OAHLLOKOSA-N	229.367	4.550	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@H]1C[C@H]2CC[C@H]1C2	719203755	KNKOWSYOKDEQEN-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCC1(C)CCC1	720985718	CVFOVLRWAOCHNH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC1CC(C)(C)C1	723561977	HIIFVDFJMUSDGV-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@@H](C)C1CCCCC1	1182469253	AMANWRBLDJJHCE-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(NC[C@@H]2CCCC23CC3)CC1	1308891805	UCMDBTMURRVYAQ-FHERZECASA-N	249.442	4.515	0	10	BJAE	
C(=C/c1ccccc1)\CCSCc1ccco1	1472926349	ATMOXABTXOHRMO-RUDMXATFSA-N	244.359	4.616	0	10	BJAE	
Cc1ccc(N(C)C[C@H]2CCC[C@@H](C)C2)c(C)c1	1621237089	DCSMTVKLAMLCLI-CJNGLKHVSA-N	245.410	4.566	0	10	BJAE	
CC[C@@H](C)CS[C@@H](C)c1ccc(F)cc1F	1643784861	ASDUGSNOPZUMPR-ZJUUUORDSA-N	244.350	4.805	0	10	BJAE	
CC(C)(C)Cc1cc(F)c(Cl)c(Cl)c1	1893699791	WJMZWVKUGONMJP-UHFFFAOYSA-N	235.129	4.721	0	10	BJAE	
CCC(C)=CCC(=O)c1ccc(Cl)c(C)c1	1900848015	IHIOZFVFEBYDBP-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Oc1ccc(Cl)cc1F	1901619237	RXEXDZOQJBXSDH-NXEZZACHSA-N	244.737	4.539	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)C1(Cl)CCCC1	1901864180	KILMORVKGGRJGU-CYBMUJFWSA-N	246.822	4.505	0	10	BJAE	
CCCN[C@H](CCCC[C@@H]1C[C@@H]1C)CC(C)C	1908576209	BEPQKLCPDVPVEH-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CNC(C)(C)C)(CC(C)(C)C)C1	1921179340	TWSPHVXKMADTOY-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)(CC[C@H]1CC1(C)C)c1ccccc1	1921547520	YJMAUCRVCYWPDS-DOTOQJQBSA-N	246.394	4.501	0	10	BJAE	
FC1(F)CCC[C@@H]1CC[C@@H]1C=CCCCC1	1925848550	IKHLYQHUCBDQRL-CHWSQXEVSA-N	228.326	4.948	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)[C@H]1CCC[C@H](C)C1	1925947095	YIXQVIIJZXDVIE-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CCCCC(C)C)NCCC	1939114457	YRCDCSWJPAIDIV-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)C(C)(C)C(C)C)c1	1939708742	QWOSEMSOPODYHY-UHFFFAOYSA-N	238.758	4.513	0	10	BJAE	
c1cc2cc(N[C@H]3C[C@H]4CCC[C@@H]34)ccc2s1	1940414671	UQEVPKMLNWNUTG-HONMWMINSA-N	243.375	4.502	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CC[C@H]1CC1(C)C	1940854675	ZSFSZJOFIZRUGA-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
O[C@H](CCCCCC1CC1)CCC1CCCC1	1941574347	ZWINPSXWIKJWEH-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CCCC1CCC1	1941689642	IXNOUIQETWKCGP-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1(C)CC(C)(C)C1	1941985457	JRAQHBULOAAOON-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](NCC)C(C)(C)C1CCCC1	1944647505	XCSFOPHFJOTTPO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2CCC[C@@H]2C)CC1	1944797382	OLHQIONKVDRRLH-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@@H]1CCC[C@@H]1C	1944841910	FXRKBZAVIXUODI-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CNCCC1=CCCCCC(C)C	1944861082	NDIVXSKIHZXKBO-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@@H]1CCC(C)(C)C1	1945593381	QFWYERFXEQEKRC-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(O)[C@H](C)CC(C)C)C1	1948334399	YMQOUWCCZQABFB-LVQVYYBASA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1C[C@@H]1CC1(N)CCCCCCCCC1	1949022197	FKRUJYDIFKIVGD-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@H]2CC[C@H](C)C2)cc1	1949502429	VFKXLHSEVDNCFC-XEZPLFJOSA-N	232.367	4.768	0	10	BJAE	
CC1(C[C@@H]2CCC(C)(C)[C@@H](O)C2)CCCCC1	1949675808	DADUTGSZQPHVRB-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCCc1ccc(-c2csc(C=O)c2)cc1	1950205923	QRJNMFBVXSVCFC-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CC1CCC(CO)(CCC2CCCCC2)CC1	1950915378	AAIFXTSDAQSAFD-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CC(C)=CCC[C@H](C)C[C@@H](CCN)C1CCC1	1952129623	KOMMITYIZCENJY-GOEBONIOSA-N	237.431	4.524	0	10	BJAE	
C[C@@H](CN1CC[C@@H]1CC(C)(C)C)CC(C)(C)C	1966541031	ULUJEUFELSDKKY-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
Cc1ccc(OC[C@@H]2CCCC(C)(C)C2)c(C)c1	1968395784	ANTYVMSTEZMSIP-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H](C)c1ccccc1	1968437831	ZIXIUEYZNARFQO-CQSZACIVSA-N	233.399	4.506	0	10	BJAE	
CCC1(CC)CCCN(C[C@@H](C)C(C)C)CC1	1972283960	UFXAQJRANRULPE-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1cccc(C2CC2)c1	1972461233	QUNUTSDCWQYZNL-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CC(C)CC[C@H](NC1CC2(CCCC2)C1)C1CC1	1972913760	GSPKFRWZHFUMLR-INIZCTEOSA-N	249.442	4.514	0	10	BJAE	
FC(F)c1cc(C[C@@H]2C=CCCCC2)cs1	1978578012	MXXABVRCILBVRJ-SNVBAGLBSA-N	242.334	4.975	0	10	BJAE	
CC[C@H](C)C[C@@H](N)C1(C)CCCCCCC1	1981416395	OLVGEXKXRDLGRK-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)NCC[C@H](C)CCC	1990091865	RZRSGYSIUNBGNQ-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
Cc1ccc(C[C@@H]2C=CCCC2)c(Cl)c1F	1993688574	MIHGISFLPIRBPL-LLVKDONJSA-N	238.733	4.686	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1CC[C@@H](C)C1	1996249415	FMTCULNNCJLOQL-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)N[C@@H](CC)C1CCC(C)(C)CC1	1996594192	KDLUTUGLZMKROH-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@@H]1CC=CCC1	1997547388	WRVYKQJBPIWXII-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1CCCC(F)(F)C1	2000019643	GASXMPDMOCASFA-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CN[C@@H](CCCC(C)C)[C@@H]1CCCC(C)(C)C1	2000255223	NCZNSPHISVBPAA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CC12CCCCC2	2001219914	RFVQYWQAFJJNGF-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(N)C1CCC(CC)CC1	2002927636	ZNGMRTMXTSTKOF-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CN[C@H]1CCCCCC[C@H]1CC1(C)CCCC1	2003099007	MASKDTOATMTTHO-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](O)[C@H](C)CC)CC1	2003100552	RHADXBDSXYLFMS-KLHDSHLOSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H](C)CC1(O)CCCCCCCC1	2003110641	FTDNOWIDZVINBK-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@H]1CCCC2(CC2)C1	2003209117	UBVWDLFXLWLDLP-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC([C@@](C)(O)CC=C(C)C)CC1	2004231866	BXBGVTIDBBFKJI-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
CCCC(CCC)CNCC(C)(C)C1CCC1	2004718704	NAZVVSXCJGGYOV-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@@H]1CCCCC12CCC2	2005563764	MSFSXSQIMZCQNH-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCCC(C)(C)C)CC[C@@H]1C	2006955528	BGWQDGCOKRTFOH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Clc1cccc(NCC2CC(C3CCC3)C2)c1	2007810197	KLDHBHXGIDHCLR-UHFFFAOYSA-N	249.785	4.578	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCC(C)(C)CC[C@@H]1O	2009407662	OPOXBWCFQQNKKG-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CC=CCCC[C@]1(N)CCC[C@H](CCC)CC1	2009569382	OJNSYTXVAOCCHO-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
C/C=C/CCCNCC(C)(C)C1CCCCC1	2009597907	ILZHFNNYJNPKPT-SNAWJCMRSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)[C@H](O)C1=CC[C@@H](C(C)(C)C)CC1	2010724712	CXLMBQNSMFSLBT-ZIAGYGMSSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(CC)[C@H](O)C1=CC[C@H](C(C)C)CC1	2010727617	YKUZKJQHIKQCJI-DZGCQCFKSA-N	238.415	4.556	0	10	BJAE	
C[C@@H]1CC[C@H](CCCC2CC(=C3CCC3)C2)O1	2011083347	NINZCHLVCRHGEG-WBMJQRKESA-N	234.383	4.615	0	10	BJAE	
CC(C)CC[C@H](C)C1(O)CC(CC(C)(C)C)C1	2014652122	KKLGTJSPPXRDDQ-HLIUYOAVSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)C[C@]1(CNC(C)C)CCC1(C)C	2014848157	CGSGEAJGCANXRS-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)C1(CCC)CC1	2015290695	MJXZPQJEMJRSPK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1cccc(-c2c[nH]ccc2=S)c1	2017187218	LFYWRSAZWZLSJE-UHFFFAOYSA-N	243.375	4.709	0	10	BJAE	
CCN[C@@H](C[C@@H](CC)C(C)(C)C)C(C)=C(C)C	2017472413	JUXVTVJIEYCZRV-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)(C)C)C(C)=C(C)C	2017485541	FVCZIGLCIGJYCN-HIFRSBDPSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)(C)C)C(C)=C(C)C	2017485978	IDCUCQLRDRXXKY-DZGCQCFKSA-N	239.447	4.783	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CC(=O)C[C@@H](C)C2)CC1	2017775543	CXFIJHMLWDIJDO-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CC[C@@]1(C)CCCN(CCCCCC(C)C)C1	2019340602	PZPNROFGPOEACY-INIZCTEOSA-N	239.447	4.715	0	10	BJAE	
C1=C[C@H](Nc2cccc3ccsc23)CCCC1	2019506397	VPPPQWQNZZUGAE-ZDUSSCGKSA-N	243.375	4.812	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CC1(N)CCCCCCCC1	2022562790	LOYSBUULOUYLET-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(N)CCCCC[C@@H]1CC	2022564988	YWDWEMKFDJXWFF-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](O)CCC2CCC2)C1	2024115535	FPTMAMKJJFWYMW-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCCC[C@H]2O)C1	2024116536	IFNHKYJNMKWAHS-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCC1CC(CCN[C@@H](CC)C[C@@H](C)CC)C1	2025375433	WUOLKJHUVCTUIQ-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1cccc(F)c1	2026081221	JUVZWPAYSLOOIP-LBPRGKRZSA-N	236.330	4.615	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@@H](C)C1CCC1	2026166004	GNYCQSHRAVUBEN-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)c(C)c1	2027794801	ZTHJBAUQLJMRMV-LNCBFAARSA-N	245.410	4.786	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)c1ccc(C)o1	2027819649	DRTSFNYVCPGDEE-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)c1ccccc1	2027829323	ALYWHQHWAJMQAP-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CC[C@H](C)[C@]1(C)Nc2cc(C(C)(C)C)ccc2O1	2027876390	WTBZPLGNHGLZDP-MEDUHNTESA-N	247.382	4.551	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1c(C)cc(C)cc1C	2028235822	TXEVQEISYLTDDG-DOTOQJQBSA-N	248.410	4.718	0	10	BJAE	
CCN[C@@H](c1ccccc1CC)[C@H](CC)C(C)C	2028260642	DTUKNZPEUYJAIR-NVXWUHKLSA-N	247.426	4.582	0	10	BJAE	
CC1([C@@H](O)c2ccccc2C2CC2)CCCCC1	2028559309	FOPXLSMFWNSEDD-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCN[C@@H](c1ccc(C2CC2)cc1)[C@@H](C)C(C)C	2028591408	SNZWYPCHLYZROA-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccc(C2(C)CC2)cc1	2028609593	FZZJNZTZCYZJIA-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
O[C@]1(C[C@H]2CC=CCC2)CCCC12CCCCC2	2028875135	CYSRGZLRSUJCLC-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)c1ccc(C)c(C)c1	2029967684	VAGMARRFSFHAKT-CZUORRHYSA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@@]23CCCC[C@@H]2CCC3)C1	2031807904	IFVGHBMZTQGCJG-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](N)C(C)(C)C2CCCCC2)cc1	2032341757	NSWXPHVNSDWNNI-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
Cc1cc([C@H](N)C(C)(C)C2CCCCC2)c(C)o1	2032341775	NVZYVCCXJSVIEV-HNNXBMFYSA-N	249.398	4.503	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC2(CCCC2)C1)C1CCC1	2034365088	UFGIDAAVZKDBIM-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@H]1CCCC[C@H]1C	2035577474	ZMIYFBWTBMRXEZ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2C=CCC2)CCCC1(C)C	2035585059	BQQBLEMBEZGNAL-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCC1)C1CCC(C)CC1	2035602672	SPQZAPVTAMJDEQ-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1	2036668750	VPZKTSBSDOHEGK-ALYAQQCSSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H]([C@H]2CCC3(CCCC3)C2)C1	2037678141	ITIBHOPHCFYGRU-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
O[C@H](C1=CCCCCCC1)[C@@H]1CC12CCCCC2	2039056560	YBOKSZVKRRBHBK-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](NC[C@@H]1CC12CCCCC2)C1CCCCC1	2039059200	RYRBCGGFHHZSTB-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(CCC1=CCCCC1)C1CCCCC1	2040650738	LTPOZEPLJDTBCT-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
O[C@@]1(C2=CCCCC2)CCCC2(CCCCC2)C1	2040769270	PVFOLDREBUXCOC-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)c2ccc(C)cc2)CC1	2041383065	LFVUTLGTNBVMSP-HLLBOEOZSA-N	246.394	4.635	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)[C@H]2CC=CCC2)CC1	2042089810	UHBRALMHHJYPOQ-NFOMZHRRSA-N	248.410	4.764	0	10	BJAE	
CCC1(CC2(CNC(C)(C)C)CC=CC2)CCC1	2042099213	RHFATQCCDXICKL-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@H](NCC)c1ccc([C@@H]2C[C@H]2C)o1	2045763014	FLBAOMMZTOJMLZ-MCIONIFRSA-N	249.398	4.634	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)C[C@H]1CC=CCC1	2046001308	ZNDBISDEZSZRBW-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](N[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCC1	2046485723	GJHATSWGCSEVIF-LTIDMASMSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CC1CCCC1)C[C@@H]1CC12CCCCC2	2047007124	GCXAPJZUONVFGY-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@@H](N)C[C@H]2CC23CCCCC3)CC1	2047016742	QSZVBFJWFXJLAT-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@H]1[C@H]2CCCCC[C@H]21	2048364565	ZNFICSRVMVRFLJ-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)[C@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048366230	OPWVIDKYJULNDO-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)CC2CC3(CCC3)C2)C1	2049536040	JEUPYRPPYPJWIP-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NCC1(C[C@H]2CCCC3(CC3)C2)CC1	2049849712	SKHROIVCMWZKJS-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(C[C@@H](N)[C@]2(C)C=CCCC2)C1	2050009319	MHXSAXRYCHEQKV-OCUYMYNFSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CC)c1ccccc1C	2050457127	YXLIOWMOEPFYFA-PBHICJAKSA-N	247.426	4.862	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@H]1CCCC(C)(C)C1	2050459660	ZNGSIVVWGJOGLK-AWEZNQCLSA-N	244.378	4.784	0	10	BJAE	
C1CCCC(CN[C@@H]2CCC[C@H]3CC[C@@H]32)CCC1	2052307817	JPIBCSZLFAXGIU-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC=C1C)c1ccccc1	2055670219	TWMZWOZTCCIAJB-IRXDYDNUSA-N	243.394	4.616	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCC[C@@H]2C(C)C)c(C)c1	2056447614	COUOWCNUPYKYCD-ZBFHGGJFSA-N	244.378	4.558	0	10	BJAE	
CCC1CC(C[C@]2(N)CCCC23CCCCC3)C1	2056646894	XPTPUARQESQNQD-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
O=C(CC1CC(C2CCC2)C1)C1CCCCCC1	2056668783	AAHLQZCAUGXKDD-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc([C@H](N)C=C2CCCCC2)cc1	2056872291	BKFBLXBYYXQOJP-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C1(CC)CCCC1	2056878838	NTLRVVFHLIUYLV-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C[C@@H]1CC1(C)C	2056880978	GBJZRORFYNJWMS-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H]2CCC[C@@H]2C(C)C)CC1	2061144100	OSLIHKZCOFKZHR-SIXLDLHFSA-N	249.442	4.523	0	10	BJAE	
N[C@H](CCC1CC(=C2CCC2)C1)CC1CCCC1	2061742583	ZXVWTSDUHCUCNE-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](Nc1cccc(F)c1C)c1occc1C	2063672356	RNHHJTIAIXVCDS-ZDUSSCGKSA-N	247.313	4.599	0	10	BJAE	
O[C@H](C1=CCCCCCC1)C12CCCC1CCC2	2063822088	OAXWEXLJIGGKLO-AQFXKWCLSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC12CCC(CC1)CC2)C1CCCC1	2065336402	AKSQTDVXTZHKSN-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC[C@@H]1CCCC12CCC2)C1(C)CCCC1	2067520747	OYGNDAYLUDKRFU-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)C1CC(=C2CCC2)C1	2068836036	GXKZJTBOQRTYIA-SUMWQHHRSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)c1cc(C)c(C)o1	2068917226	OKUNUJGFNKFMDA-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
CC(C)C1(CN2CCCC23CCCCC3)CCC1	2071914466	DARZYNJJFAQANY-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)C=CCCC2(C)C)CCC1	2071917698	MUSVBPOEXYUDGA-QGZVFWFLSA-N	249.442	4.667	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCCC23CCCC3)CCC1	2071953716	OQQZSTKPHBNLGM-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@]12CCCC[C@@H]1C2	2074025182	MSSCLZMODIVCDV-NCOADZHNSA-N	249.442	4.645	0	10	BJAE	
CCC1(CC(=O)[C@@H]2C[C@@H]3CCCCCC[C@H]32)CC1	2074591445	QHNVYKWHGJAWNZ-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@]2(CNC(C)C)CC=CCC2)CC1	2074625606	CJXWIMHVLNMGNP-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CCC2=C(CCCC2)C1	2074900801	SVHOWPQPENZEQH-YOEHRIQHSA-N	247.426	4.532	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1CC(C)=C[C@@H](C)C1	2077189765	LHHIOSZPMXBQJO-XYPHTWIQSA-N	249.442	4.703	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](C[C@H]1C=CCCCC1)NCC	2079437925	DSNZPUBRKUVEQV-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCC1(NC[C@H]2C[C@@H]2C2CCCCCC2)CCC1	2079651243	PAASOJZBXIGXBO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@@H]1CCNc2ccccc21	2079664006	CNJWBUADTRKZGQ-GZBFAFLISA-N	243.394	4.658	0	10	BJAE	
CC1CCC([C@]2(N)CCC[C@H]3CCCC[C@H]32)CC1	2081132723	LXYSUGUSQPJINJ-GLUHHBOGSA-N	249.442	4.501	0	10	BJAE	
CCCc1cccc(C(=O)CC2CC(CC)C2)c1	2085000248	FRQOBDRHKPIUCR-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
Cc1cc(N[C@@H](C)C(C)(C)C)c(F)cc1Cl	2210737257	NGFCRVHDSCVILV-VIFPVBQESA-N	243.753	4.634	0	10	BJAE	
CCCCC[C@@](C)(CN[C@H](C)CC)C(C)C	2212584515	AIXBRIZEOVFARR-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H]1CC[C@H]1CCCCCCC1CC1	2213576710	TYGINHNFLOWTAO-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CCCCCCC1CC1)[C@H]1CC[C@H](N)C1	2213576740	UFJTYDKPWXCXSL-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@H]1CC[C@@H]1C	2215088193	ZPHOEKQJIMQJCK-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCCCC(F)F)C(C)(C)C	2216445145	RDUYFEXWRDLOQH-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC(C)C[C@@](C)(O)CCCCCCCC1CC1	2216896485	IQTSROSASRRBTK-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)NCC1(CCCC(C)(C)C)CCC1	2217138328	QBGVHZFLMGYPTC-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC1(N)CCC(C[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218332881	NOWNZFBMKDBNJW-JSGMBBGDSA-N	249.442	4.501	0	10	BJAE	
NC1(C2=CCCCCCC2)CCC(C2CC2)CC1	2218886499	BPSSAIPMSJPRTQ-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](C/C=C/c1ccccc1)CC(C)(C)C	2219084170	YAYPUJJTKVQYLC-ONOODXEBSA-N	245.410	4.504	0	10	BJAE	
CC1(C[C@@](C)(N)CC2CCCC2)CC2(CCC2)C1	2221014257	BEVCJXWSKYDODM-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCCCN1CC1(C)CC2(CCC2)C1	2221068596	PNYQYBYLCPDOQP-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H]2CCC3(CC3)C2)CC1	2221640099	IWUGUYGHFHSUNZ-GDBMZVCRSA-N	246.394	4.662	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NC[C@H]2C=CCCC2)C1	2222266113	KQGLMYOMJANPKK-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CCC/C=C/CNC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222949876	SOGRAMHMVYFZNG-ZTJBWQLXSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222955884	XNSVDKCSGYGOFY-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CN[C@@H](C=CCCCCCCC2CC2)C1	2223111678	WFGJPALVXRBSIL-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCC[C@@]1(C)C1CCC1	2223857766	RIOKOQYTEHDNCA-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1cccc2ccoc12	2224164549	QGMUCYLLTNBCLE-LBPRGKRZSA-N	244.334	4.688	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1=CCCCC1	2243204772	WNONWJVPQFIIQF-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
CCc1ccsc1CC1CC(=C2CCC2)C1	2243453580	FLPYHYLJATVWMH-UHFFFAOYSA-N	232.392	4.744	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)CC1CC1	2244835613	FXZYNFKKVJJIEA-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)CC[C@@H]1CCC[C@@H](C)C1	2246728285	QBTLAYGBOQWXFL-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CCCC[C@@H]1C[C@@H]1C	2247162121	ATABXUJMSGMHEX-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](N)(CC1=CCCCC1)C1CCCC1	2247514418	UZOMVRGFUYVMCK-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)[C@H](CCCCC[C@@H]1C[C@H]1C)NC	2248823350	UTSHOPHTXLDESP-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CCCCC[C@@H]1C[C@H]1C	2248842388	RINGLTQKMCUWTI-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
N[C@H](CC1CCCC1)c1ccc(C2CCC2)s1	2250295167	ONTGVUVMCZJWOV-CYBMUJFWSA-N	249.423	4.596	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)[C@H](C)C1CC1	2250479489	VLHCBPANRYHUQG-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](F)CC(C)(C)N	2250481948	PZOIUXZDHIRYDK-KGLIPLIRSA-N	245.426	4.695	0	10	BJAE	
CCNCC1(CC[C@H](C)CCCC(C)C)CC1	2250492643	WNFDUHZUFQOFAS-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(C)(C)CC(=O)O	2250494611	CKWCFDJVRJAWPL-ZDUSSCGKSA-N	242.403	4.730	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@@H]1CC=CCC1	2250526623	FUHMNJNLPUHVFJ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)CC2=CCCCC2)C1	2253994026	BUMAZLKBDCLCLT-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
CC(=CC[C@H]1CCC[C@H](C)C1)c1ccc(N)cc1	2253994061	BZRRHGYLUOZHRJ-DZGCQCFKSA-N	243.394	4.889	0	10	BJAE	
Cc1ccccc1[C@H](O)CCCCC[C@H]1C[C@H]1C	2254532743	LWLHSZXRWPPFJQ-HLLBOEOZSA-N	246.394	4.635	0	10	BJAE	
CCC[C@@](O)(C[C@@H]1CCC1(C)C)c1ccccc1	2254823697	ASEDIJRXJKZZCM-DOTOQJQBSA-N	246.394	4.501	0	10	BJAE	
CC1(C)CCC[C@@]2(CCN2CC2=CCCCC2)C1	2255209647	KBDIXEFFLPOZGX-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
Cc1coc(C)c1C(=O)CCCCC[C@H]1C[C@@H]1C	2257305431	USGXDLADCDLOKZ-FZMZJTMJSA-N	248.366	4.686	0	10	BJAE	
CC1CCC(CC(=O)[C@]23CCCC[C@H]2CC3)CC1	2260524362	LYGXGGXPAFXGRY-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(NC[C@@]23CCCC[C@@H]2CC3)cc1F	2260631699	ZJALKIPJJUTXLK-CJNGLKHVSA-N	247.357	4.516	0	10	BJAE	
CC(C)(C)[C@](C)(O)c1cccc(C2CCCC2)c1	2260664463	WJRAMWLJZSHIEB-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCCC12CCC2	2300682996	FHVZKTIFONZYIU-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCNC[C@]1(CCC(CC)CC)CC[C@H](C)C1	2300703393	FPUGWDHGGPLWOU-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(=CCCCCNC1CC1)CCCC(C)C	2300888814	QWNZMNGMMNVEOR-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC2CCCCCC2)C[C@H]1O	2301239114	MVYDMAOQJLUHTM-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)n1ccc2ccc(F)cc21	2301834485	ZCVOPVIXOUXMPF-VXGBXAGGSA-N	233.330	4.634	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(O)[C@@H](C)C(C)C)CC1	2301919251	MUGIKRZAKHETBE-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)[C@H](C)C(C)C	2301962404	SSPGNRYYBKVJRD-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@@H]1CCC(C)(C)C1	2302688838	AQFHSNHTAXOZFY-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@](CN)(CCCC(C)(C)C)CC1	2303470924	KTZMCPGAKUTUSI-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CC1=C(C)C[C@@](CN)(CC(C)(C)C(C)C)CC1	2303471758	AEASTGNNHHLBCJ-MRXNPFEDSA-N	237.431	4.524	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@@H]1CC[C@@H]1C(C)(C)C	2303493974	DJFODNZIBAIHRU-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)c2cscc2C)CC1	2303517347	WGDPYIXNLWMFNU-UKRRQHHQSA-N	249.423	4.583	0	10	BJAE	
CC(C)[C@@H](C)Oc1ccc2ccccc2c1Cl	2307638055	DTWOGJOFNZPHGC-LLVKDONJSA-N	248.753	4.917	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CCC1	2313168140	IGPFTBZELBRBPK-MJBXVCDLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(C(=O)C[C@@]23CCC[C@@H]2CC3)C[C@@H](C)C1	2313320614	WWAQOZYYICVUMZ-LBEHMCEESA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC(C(=O)C[C@@]23CCC[C@@H]2CC3)C[C@H](C)C1	2313320615	WWAQOZYYICVUMZ-SMKXDYDZSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1cnccc1C(C)C	2313561998	KNZSBUHHNIAGCT-CQSZACIVSA-N	248.414	4.832	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC1CCC1)c1ccccc1	2313691733	IEFLDLNZJPLPEQ-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
CCc1cc([C@H](N)C2(C)CCCCC2)ccc1C	2314657688	LHGWKQXDOLSWIO-INIZCTEOSA-N	245.410	4.528	0	10	BJAE	
CC(C)CCC[C@@](C)(N)c1cccc(C2CC2)c1	2315944782	ZOHXQCRAPNUXIH-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1C(C)=CCC[C@@H]1C	2316502542	LPZCTZMHOSVSJH-GVDBMIGSSA-N	249.442	4.703	0	10	BJAE	
N[C@@H](CCC1CCCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316697279	KVLNHGUIAKUETP-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@H]1CCCC2(CC2)C1	2316879670	GMVSPUUMPBEGJT-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
O=C(CC1CCCCCC1)[C@H]1CC12CCCCC2	2317008487	SJIMMLXPZVEMHB-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC[C@H]1CC[C@@H](C)N(CCCC2=CCCCC2)C1	2318582283	BCZQDFNAUMUHOJ-CVEARBPZSA-N	249.442	4.778	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@@H]1C[C@H]1C1CCCC1	2318931422	CQZLPCQKFOYBSB-JWDQPFGJSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(=O)CC[C@H]2CCC(C)(C)C2)cc1	2319290806	KXPBYSBXGXAWAE-AWEZNQCLSA-N	244.378	4.784	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CC[C@H]2C2CC2)cc1C	2319748430	JVJALLLSJZIPDG-RDJZCZTQSA-N	244.378	4.509	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)C2(CC(C)C)CC2)CC1	2320408664	MPVKMNAGYQFFLS-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)c1cccc(C(C)C)c1	2320520878	LLVMNHRNCVWSJT-WMLDXEAASA-N	247.426	4.882	0	10	BJAE	
CCCN[C@H](C)CCCc1cccc(C(C)C)c1	2320635018	ZIILPHLDBSFWOZ-OAHLLOKOSA-N	247.426	4.521	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)[C@@H]2CC23CCCC3)C1	2321650217	JKLJLTQQBQPSGF-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CCC[C@@H](C)C2)C=CCC1	2326709464	QBAOBKOCBAZDQO-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)c1ccccc1C	2328283662	ZHQUITHEVXKPCU-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
CCCCCC[C@H]1CC[C@H](CCCCC)N1	13437542	YDPNIEQSKNIPHC-GJZGRUSLSA-N	225.420	4.658	0	10	BJAE	biogenic
Cc1ccccc1N[C@@H]1C[C@H](C)CC(C)(C)C1	20551060	BKDFQZCALKGWMV-GXTWGEPZSA-N	231.383	4.622	0	10	BJAE	
CCc1ccc([C@@H](C)Nc2ccccc2C)cc1	20564700	FJPVTIFODRFWBF-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
CC[C@@H](Nc1ccc(F)cc1C)c1cccs1	21007829	VLRVTMGHBIXIRY-GFCCVEGCSA-N	249.354	4.759	0	10	BJAE	
CCCN[C@@H](c1ccc([C@H](C)CC)cc1)C1CC1	35580677	SDYLGGWTZFZQJX-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCc1ccc2nc(C(C)C)cc(Cl)c2c1	36912846	PCCWTULRQDFZTF-UHFFFAOYSA-N	233.742	4.574	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@H]1CCC[C@@H](C)C1	37253759	ICHHHXVAICPMHB-CABCVRRESA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)c1ccc(C)cc1C	68860286	ZTFDOTVXWSXUPI-DJIMGWMZSA-N	246.394	4.553	0	10	BJAE	
CCCCCC[C@H](C)NCc1cccc(C)c1C	70136886	OBWUAXKXXLNDBT-HNNXBMFYSA-N	247.426	4.752	0	10	BJAE	
CCCCCC[C@H]1CCC[C@H](NCCC)C1	70745322	ASXLIXJADBJGTH-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CCC(=O)c2ccccc2)C1	80385220	LZIWDEUYPMPMGN-CABCVRRESA-N	244.378	4.866	0	10	BJAE	
CCCN[C@H](C1=CCCC1)C1CCCCCCC1	86579500	DQZSMBWHFURBHW-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccc3[nH]ccc3c2)CC1	86879954	DTIQIRNOFCBHHB-GXTWGEPZSA-N	242.366	4.549	0	10	BJAE	
CC(=O)c1ccc(-c2ccc(Cl)c(C)c2)cc1	90756364	HCJGHUOWBDKJAQ-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CC[C@H](Nc1cc(C)cc(F)c1)c1ccccc1	91510526	QADCKIJOFBVENW-INIZCTEOSA-N	243.325	4.697	0	10	BJAE	
CC1(C)CCC[C@H]1Nc1cccc2c1CCCC2	94303009	CESNEHKVFSNWDL-MRXNPFEDSA-N	243.394	4.556	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCCc2ccccc2C1=O	109654164	SNEJAGMFVVWMDT-AWEZNQCLSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C(C)C)[C@@H](C)NCC	109669265	SPPXZFKXYNIKJN-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(C)c([C@@H](C)NCCCC(C)C)c(C)c1	109921009	NQXYNWNKEYIHGQ-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CCCCCC1(N)CCC(C(C)(C)CC)CC1	112881681	SYVOCRQSSXWFDF-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CCCCCC[C@H](N)C12CC3CC(CC(C3)C1)C2	112897986	CKCZNRPQCMHGKN-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(Nc2cccc(F)c2)CC(C)(C)C1	124725198	JSYSVDMIWYYNDH-UHFFFAOYSA-N	249.373	4.843	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)C1(C)CCCC1	125254795	JBNMNGGYHNXECM-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1cc(C)c(C)cc1C	125323102	NMONOHPLXNKEJX-DOTOQJQBSA-N	248.410	4.862	0	10	BJAE	
CC(C)c1ccc2nc(C(C)(C)C)sc2c1	145602374	BAJAUQIUJYHDCO-UHFFFAOYSA-N	233.380	4.717	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H]1CC[C@H](CC)C1	148421129	OKXUDYIPTBJASE-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(N[C@H](C)C2CCCCCC2)CC1	150009687	CKOHTPHPXGJPJH-NPCAHTBFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)C1CCCCCCC1	159024294	UEVONGAGDVWNLN-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@H]1CCCc2ccccc21	164352036	LBJOVCUXMROPSE-UKRRQHHQSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1CCCC[C@@H]1CC	165743058	HUGCIIPRKUXQPI-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H](C)C(C)(C)C	165769869	AVZGPFXEAGUUEW-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1c(C)c(C)cc(C)c1C	167242179	JTPJFOWLTZASGH-BDJLRTHQSA-N	247.426	4.617	0	10	BJAE	
CCCCC[C@@](C)(O)c1ccccc1C1CCC1	168802643	KHXGDRXHJDJGIJ-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
CCCNC/C(=C/C1CCCCCC1)C(C)C	212074693	ROLZGRAWCUFITE-VBKFSLOCSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	228734087	JVGVUFFCCJOBFK-CWVYHPPDSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)CC1CCCCCC1	229272869	JKOZUZDVZAGBCM-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCC(=O)CCC1CCCCC1	229449996	MEXNXHBTFOZNBO-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
Cc1cccc(C)c1C(=O)C1C[C@@H](C)C[C@H](C)C1	235319558	CTBQLBSLSYTVND-RYUDHWBXSA-N	244.378	4.558	0	10	BJAE	
Cc1ccc(C=Nc2cc(Cl)ccc2C)cc1	254498745	QJCZKSYRIAOKBX-UHFFFAOYSA-N	243.737	4.707	0	10	BJAE	
CC(C)c1c(C#N)csc1-c1ccc(F)cc1	259381824	FNONQPFECPGZLZ-UHFFFAOYSA-N	245.322	4.549	0	10	BJAE	
Cc1cccc2c(C3CCCC3)c(C#N)ccc12	260489833	GRZFCRCVFGWXNK-UHFFFAOYSA-N	235.330	4.678	0	10	BJAE	
Cc1cccc(NCCCC(C)(C)C)c1Cl	300868630	KHZPSYZJENZEEV-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)c1ccc(C)s1	300969408	RRAXOEPHZBMWRX-FZMZJTMJSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H](C)CC(C)C)C1	304187134	SIGMPFRJLJCXPT-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
C[C@H](N)c1ccc(C2=CCCCCC2)cc1Cl	306116626	ZXODMNVDADRKHC-NSHDSACASA-N	249.785	4.707	0	10	BJAE	
CSc1ccc(Cl)c2sc(C)cc12	306895313	MMPSNAJSRHXUTL-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H](CC)CC(C)C	308056162	BRUHJFOXOBOTDN-JYJNAYRXSA-N	241.463	4.993	0	10	BJAE	
CC1CCC(C[C@@H](N)C2(C)CCCCC2)CC1	310123531	IORASLWCDHZXBX-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(C[C@@H](C)C2CCCCC2)C1	310332945	MACPYWUVDXOYCE-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC)CCCC1CCC(C)CC1	310488433	GPDQPXDANYKPSU-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCCC12CCCCC2	313005510	BWORSQUQGATUPW-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H](C)n1ccc2ccc(Cl)cc21	319615910	NYKMLTPRRAPNPO-JTQLQIEISA-N	221.731	4.512	0	10	BJAE	
CC/C(C#N)=C(\Cl)c1ccc(C)cc1Cl	379776024	XEAGDKPTRNAMMD-FMIVXFBMSA-N	240.133	4.532	0	10	BJAE	
CN[C@@H](CCC(C)C)C[C@H](C)C1CCCCC1	380080674	DUCMNQUZCKGRGD-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H]1CCCC[C@H]1C	384499952	CAXOWIDKUOOTSD-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(SCCC2=CCCCC2)ccc1N	385249145	WSZXDJDUVBPRHT-UHFFFAOYSA-N	247.407	4.560	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cccc3ccsc23)C1	386195808	CWJAOULFEFZOBZ-AAEUAGOBSA-N	245.391	4.892	0	10	BJAE	
Cc1ccc(NCC2(C)CCCCC2)c(C)c1	394609727	ALQXROGMXCFUKF-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C1(C)CCCCCC1	394617849	VZAXNVICZGBDDD-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCCCCC[C@H](C)CNCC(C)C	394834516	WBJGGQIOBBILQB-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCOc1ccc(C)c2c(C(F)F)csc12	396237182	IARLRRIGIITPCD-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1ccc(C)c2sc(C(F)F)cc12	396403658	IQOOVYLGFZCLAG-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC(C)NC[C@@H]1CCCC[C@H]1C[C@H]1CC=CCC1	402371157	SKZIMVHANHVHGH-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C(=O)c1coc2ccccc12)C(C)C	404281926	QAQHOJSLXPUZCL-UHFFFAOYSA-N	244.334	4.544	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CCC(C)(C)C1CC1	406090211	YBCBEURILSZQDV-HIFRSBDPSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@H]1Nc1cccc(C2CC2)c1	690078044	UJAHATBIZDDBNR-BLLLJJGKSA-N	243.394	4.801	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCC(C)(C)C1=CCCC1	691074065	SBGFDBJAVDBFCQ-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(NC2CCC3(CC2)CC3)ccc1C	695963917	MWFAIAIFMPSHNP-UHFFFAOYSA-N	243.394	4.692	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)c1cc(C)cc(C)c1	696256000	FZNPGVJSAGFAHE-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1CCCC[C@@H]1C(C)C	696799304	KDHBFHHVZYLUEX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(CCC=C(C)C)CC[C@@H](C)C1	698042123	YYMJMUHWHOWSPZ-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@]1(N)CCCC12CCCC2	704446231	ICZCAGSLMARKJA-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)CC1CCCCCC1	704843870	HJFXMJQFYVJSCO-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@](C)(N)CC1CCC1)C1CCCCC1	704850569	YNDPFBHPCPBZOK-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(N)CCC(C)(C)C	704857300	WCAHWQPAGRJVIL-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1ccc(O[C@@H]2CCCC[C@@H]2C)cc1	704921327	BHDLOYQSRPERKD-XJKSGUPXSA-N	232.367	4.768	0	10	BJAE	
CCCN[C@@H]([C@@H](C)[C@H](C)CC)[C@H](C)CC(C)C	709273912	PLQSEAZMGGFRNR-LVQVYYBASA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](C[C@@H](NC)C1CCCCC1)C(C)(C)C	711093982	LFMZPNVPQWVNLI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@H]1C[C@@H]1C1CC1	712984424	TYNRNIGHKXBGBX-DUVNUKRYSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@]1(O)C[C@H](C)CC[C@H]1C(C)C	713171517	XHBGVGGPWKVWKU-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C1CCC(O)(CC(C)(C)C)CC1	713191654	XTYQDBRMYQYYKB-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]21)C1CCCCC1	714313805	CSWROQVQSZSEBF-RKTXRCNFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CC(=O)C1CC2(CCC2)C1)C(C)(C)C	717534967	TXBHBDIQPMMMFX-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1cccc(F)c1C	718531368	XJCBMGHXLVRVCB-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCNC[C@]1(CCC(C)=C(C)C)CCC[C@H]1C	718747817	MKMZBVDYUJZIIF-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC)CCC=CCCC1	718996340	HKIKZKAVJBKXQW-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1C[C@H]1CC)NCCC	723068520	DIAJPZFHKQCREK-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
C1CCCCN(CC2CCC3(CC2)CC3)CCC1	1194400184	DTMRAEGKKFEHJZ-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CC[C@@H](NC1CCC2(CCC2)CC1)[C@H]1CC1(C)C	1308823147	BGQAJCWRVLPYIJ-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)CS[C@H](C)c1c(F)cccc1F	1613626927	DDVHYOMTZXJCRY-VHSXEESVSA-N	244.350	4.805	0	10	BJAE	
CCCNCC(=Cc1ccc(C(C)C)cc1)CC	1880337983	SOTDIYLTQNYKEB-UHFFFAOYSA-N	245.410	4.603	0	10	BJAE	
CCC(CC)CC[C@H](O)CC1(C)CCCC1	1900703583	NSVFKDXJCGXNHH-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCC1([C@H](O)CCC(CC)CC)CCC1	1900705375	UZWQOAKFHLTAII-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CC)CCCCCN1	1905361770	JGJOWJPTZSQMBS-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](CC)CC1(CN)CCCCCC1	1905365628	IGBWRSAYOLGPHB-AWEZNQCLSA-N	225.420	4.502	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1C[C@H]1CCC	1910643487	FAVSUQDBXNDDPC-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
Clc1cc(Cl)c(C2=CCCC2)nc1Cl	1911593387	OQTKZOUFBOPBDR-UHFFFAOYSA-N	248.540	4.609	0	10	BJAE	
NC1(CCC2=CCCCC2)CC2(CCCCC2)C1	1912606354	GVOVQNMVSBCQFQ-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
C[C@H](CCC1CC1)N[C@H]1CCC2(CCCCC2)C1	1915857907	NOSBZWCYYPPCOY-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1[C@H](C)C[C@H](C)C[C@H]1O	1915996332	XWOVZVHDQHNBMK-ZVDSWSACSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@](N)(CC)c1ccc(CC)cc1	1920447467	FLMJUXJPTAWGEO-QGZVFWFLSA-N	247.426	4.783	0	10	BJAE	
CCCC1CC(CN)(CC2(C)CCCCC2)C1	1921274255	CBNVEPBEPORCKR-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC1(c2ccc(NCC[C@H]3CC3(C)C)cc2)CC1	1921560043	ASYSMLSLTBXZRN-AWEZNQCLSA-N	243.394	4.586	0	10	BJAE	
CC(C)CC[C@H](NC[C@H]1C=CCCCC1)C1CC1	1925819977	NPENOHDROMJBOY-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@@H]1C=CCCCC1	1925890878	HOQWAAFSPFMBKP-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@H](CN)[C@@H](C[C@H]2C=CCCCC2)C1	1925894237	YBFSTSRYKWGWTG-YYIAUSFCSA-N	249.442	4.524	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1ccsc1Cl	1933728774	QSPFLMDVSNVGEU-JTQLQIEISA-N	245.819	4.618	0	10	BJAE	
CCC(C)(C)CCC(=O)CC[C@@H]1CC1(C)C	1935912088	BAUUSOYYMTVCRT-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)CC1(C)CCCCC1	1940416159	PPMSHPRFCLAOEC-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C)C1(CC2(C)CCCCC2)CC1	1940418224	ZZOZRSXFYNJCPW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(NCCC[C@H]2CC2(C)C)c1C	1940871990	ISSKRCZHZFUMTG-AWEZNQCLSA-N	231.383	4.542	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)C1(C)CCCCC1	1940883449	ODUPHVYQKCNDJU-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC1CCC=CCC1	1941796163	YJJUPGQMBBNQKE-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCCC[C@@H]1C(C)C	1942800211	YNQCATDAFKRPAY-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)NC1CCC2(CCC2)CC1	1944599278	AAGYYNGMMDALNS-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CC1(C[C@H](O)C(C)(C)C2CCCCC2)CCC1	1944617908	HLVHSEUJEQVCKS-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@](C)(O)CC1CCCCC1	1944854225	XBWKOEBRZLXNGG-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCCN[C@@H]1CCCCC12CCC2	1947880058	VAAIXCBEFSZWNV-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)[C@H](C)CC(C)C	1948327080	NSAJVOWTFPOQMP-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CCC2CCCC2)CC1	1950929889	KUTBDCDPOAGYLR-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC=CC[C@@H](CC)c1cc(CC)ccc1OC	1951308996	RXMFLZOYSDTUME-CQSZACIVSA-N	232.367	4.717	0	10	BJAE	
CCC[C@H](C)c1nc([C@H](C)CC)cs1	1956204498	TZAYOGXOEBOMFM-ZJUUUORDSA-N	211.374	4.560	0	10	BJAE	
Cc1cccc(OCC[C@@H]2CCC[C@@H](C)C2)c1	1968270725	NOSOKZBYMDCVRT-HIFRSBDPSA-N	232.367	4.590	0	10	BJAE	
Cc1cc(C)cc(NCC2[C@H]3CCCCC[C@H]23)c1	1968307761	PSMTVJLXVIIXHL-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCC[C@@H](C)C2)cc1F	1968321297	YNSJVMXWFLUWIF-TZMCWYRMSA-N	249.373	4.762	0	10	BJAE	
Cc1ccc(F)c(NCC2CC(C(C)(C)C)C2)c1	1968341257	JSQOCCUWNIYORT-UHFFFAOYSA-N	249.373	4.618	0	10	BJAE	
CCc1ccccc1NCC1CCC2(CC1)CC2	1968360144	MKPOBBKOCYGRCD-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)CCC2CC2)c1	1968407964	KWGDQQXDUYGAOA-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
CCC(C)(C)CCN1CCC[C@H]1c1ccccc1	1968482549	FGKUUIMQYAEYCT-INIZCTEOSA-N	245.410	4.650	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CCC[C@@H]1C	1968598409	XTCMGIDVKIEVLN-WFASDCNBSA-N	231.383	4.719	0	10	BJAE	
CC1(C)CC(N[C@@H]2CCCC3(CCCCC3)C2)C1	1972020041	FSBJRUUHFDTFKF-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](C)CC[C@H](N)c1ccccc1Cl	1980684037	BDEPBZISOCEZHJ-RISCZKNCSA-N	239.790	4.556	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cc(C(F)F)cs1	1983698542	DFURTAVXJISOQK-HTQZYQBOSA-N	246.322	4.551	0	10	BJAE	
CC=CCCC[C@@](C)(CCC)CNCCC	1984632578	NONUBFROPYFSDD-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)CCC=C(C)C	1988794710	LQXZUFRWUWAWCD-UONOGXRCSA-N	225.420	4.536	0	10	BJAE	
CCC[C@@](C)(O)C[C@H]1CC[C@H](CCC)CC1	1989773028	XACNYPLDAKDIJZ-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCC/C=C/CN[C@H](CC)CC1CCCCC1	1995873134	IZXAXGFBDLPEMG-VGZDNEPHSA-N	237.431	4.681	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@](C)(O)C1(C)CCCCC1	1995985424	JIBFUSUYQNFQGM-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](CC[C@H](C)C(F)F)NCC	1996088929	HJQPILWMBRIIMR-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCC(C)(C)[C@@H](CCC(C)(C)C1CC1)NC	1996603277	QRKAUMNPADPQMH-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCCC(F)F)CC1	1997103868	IBFWQEMCHFKIHN-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@]1(C)CC=CCC1	1997582692	FVJBDQVLCVHBDR-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CC2CCCCC2)C1	2000190035	HMYQHKJIPXPVFX-DOMZBBRYSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@](C)(CNC)[C@H]1C=CCCCCC1	2000507768	HDQHREOFJHSKKF-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC1CCC([C@H](C)NCC(CC)CC)CC1	2002923357	GHLYCAIPIUPRPU-JEYLPNPQSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@](C)(O)[C@@H](C)C(C)C)CC1	2002926296	ZUZFDHINEDILOD-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H]([C@H]1CC[C@H](C)CC1)C(C)(C)CC	2003067374	RKAGLQXMECTKMK-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@H]2CCCCCCCC2=O)CCCC1	2003070793	RSXLLFJTFNKSOM-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
C[C@@H](CC(F)F)C[C@@H]1CCCCCCCC1=O	2003074794	NBUPTVQHUFQYFQ-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@]1(C)C=CCCC1	2003324206	VETLKZPOHBYILN-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C(C)C)C1CCC(C)(CC)CC1	2004336629	HXHHBRXRDANAII-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CC[C@@]1(C)CCCN(CCC(C)=C(C)C)CC1	2004338857	IRQZLJLUQSDHAM-INIZCTEOSA-N	237.431	4.635	0	10	BJAE	
CCC1(C)CCC(NCCCC2(C)CC2)CC1	2004350765	QUVKASMYQMXORV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1CCC(C)(C)CC[C@H]1O	2009408072	QWNOYXSQWCAWEG-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCCN[C@H]1CCC[C@@H](CCC)CC1	2009598805	RZRWQQYUHRHVJS-CFSAUIFESA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCCN[C@@H]1CCCCC[C@@H]1C(C)C	2011438768	TUXLGOBOCMANRT-FZZYSBJUSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)C=CCC(C)(C)C1	2012050826	FXKGVSXQYRKUBT-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@@H]1C=CCCCC1	2013296602	MCTQNSHFGLJZHP-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC(C)[C@H](C)CC1(O)CCC(C(C)(C)C)CC1	2015284488	OBJDHQUQUNTHGA-VQCLRJIVSA-N	240.431	4.636	0	10	BJAE	
CCc1cc(NC[C@@H](CC)C(C)C)ccc1C	2016107905	ZWZGIJREQHUGEI-OAHLLOKOSA-N	233.399	4.652	0	10	BJAE	
C[C@H]([C@@H](O)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017113717	DEBHVIVNCVIFLV-OLZOCXBDSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC2(O)CCCC2)CC1	2017712829	SDTSJJYNDLVJNE-SHTZXODSSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)c1ccc(C)o1	2018139115	OHXNCLVMONYVIK-KBPBESRZSA-N	237.387	4.598	0	10	BJAE	
Cc1ccc(NC[C@@]23CCCC[C@H]2C3)cc1Cl	2018587876	PGHCRIUMWIOOCB-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CC[C@H](CC)CC2)CC1	2018968028	QHGUJXJTJMCNPE-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)CC1(CC)CC1	2018995614	PMGBFGIGWKAPJX-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@@H]1C=CCCCCC1	2019121542	JWSVPPAIALLMKO-JKSUJKDBSA-N	237.431	4.776	0	10	BJAE	
C[C@@H](C[C@](C)(O)CC1CCCCC1)C1CCC1	2019767536	LTWMGUGNGLVXII-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@@](C)(O)CC1CCCCC1)C1CCC1	2019767539	LTWMGUGNGLVXII-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCC(F)=C(C)C	2020340749	QUFDPGJJQSWCST-CQSZACIVSA-N	241.394	4.588	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@H](C)CCC)o1	2021518263	HJDHUDARLVBPEW-GFCCVEGCSA-N	236.355	4.631	0	10	BJAE	
CC1(CC(=O)C[C@H]2C[C@H]2C(C)(C)C)CCCC1	2022557730	QKJKZADBOMTZEL-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1CCCC(C)(C)C1	2024102146	QCDYHKLPKUWBOH-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CCC1CCCC1	2026147971	VVPBQLOGEDNHCO-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CC(C)c1ccc(C=Cc2ccc(N)cc2)cc1	2026923158	HHCJUYASOCHISL-UHFFFAOYSA-N	237.346	4.563	0	10	BJAE	
CC(C)(C)C1CCC(NC2(C3(C)CC3)CC2)CC1	2026948863	FEGBXVQAENZCCK-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCC1(C[C@H](O)c2ccccc2C(C)C)CCC1	2027518375	QMPKYZUANWRLSG-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)C1CCC2(CC1)CC2	2027823269	VTSWSROSTVUWRA-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC1(CCCNC2CCC(C3CCC3)CC2)CC1	2027838697	BDFYIFIPPPDLPV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)CCC1=CCCCC1	2027877490	DWUVHSQVYXWJCZ-OJLVUWQFSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1cccc(C2CC2)c1	2028548331	CNWZXIVWDHWOCX-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)c1cccc(C2CC2)c1	2028558067	SVSZKUFKAZJDQO-MLGOLLRUSA-N	245.410	4.636	0	10	BJAE	
CCNC[C@]1(CCC2CCCCC2)CC12CCC2	2032132383	PRGNNWMUPGOFTD-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc([C@H](O)C(C)(C)C2CCCC2)cc1C	2032274023	WQUUKPNJHGMTFZ-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNc1cccc2ccccc12	2032513289	GRPWIWMSGVWPCY-UKRRQHHQSA-N	239.362	4.688	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNc1ccc(C2CCC2)cc1	2032514405	MMFUWYBQSAGWRB-CJNGLKHVSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(N)CC(C3CCCC3)C2)C1	2033780838	DCOBFBHPJYJNMU-QBBMROGASA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(NC2CC(C3CCCCC3)C2)c1	2033832889	WFEWQLMBBYFQEK-UHFFFAOYSA-N	243.394	4.766	0	10	BJAE	
CC(C)(CNCC1=CCCCC1)C1CCCCC1	2034027574	JYEBOBUIDVEQHL-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)cc1F	2034265383	UHBKDJCZZJZHEE-DUVNUKRYSA-N	247.357	4.515	0	10	BJAE	
CCC(C)(C)C[C@](C)(N)c1c(C)cc(C)cc1C	2037134874	ZFYGLVPTBHZZNN-KRWDZBQOSA-N	247.426	4.612	0	10	BJAE	
CCCC1([C@@H](NC)[C@@H]2CCC3(CCCC3)C2)CC1	2037689801	IAQHGEBAYGXKMY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC23CCCCC3)cc1F	2039052146	UEUZPJBKFSSXKP-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CCCC1(CNC(C)C)CC2(CC3(CCC3)C2)C1	2039461403	DZRNDNBTTILFTF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC1(C(=O)c2cccc(CC(C)C)c2)CCC1	2039728792	LUPVMCUBHSUXSH-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCc1ccccc1N[C@@H](C)C1CCC(C)CC1	2040633327	NSNSTOZIZMLGDR-BBBYJDLNSA-N	245.410	4.876	0	10	BJAE	
CC[C@](N)(C[C@@H]1C=CCC1)C1CCC(C)(C)CC1	2040650277	IAPNJKGQJNNJIQ-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)C2CC(C)(C)C2)c(C)c1	2043544920	UUSRACCAUAPYOS-CQSZACIVSA-N	245.410	4.848	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1[C@H](N)C[C@H]1CCC=CCCC1	2045327757	YBLWZEDLQKXHJL-CAOSSQGBSA-N	249.442	4.523	0	10	BJAE	
CCNC[C@@H]1CCC[C@H]1C[C@@H]1CCC=CCCC1	2045328336	DLFHWYMCVIVRJG-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CCN(CCCC2(C)CC2)c2ccccc21	2046578944	JVLZROWTYABRSQ-AWEZNQCLSA-N	243.394	4.581	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)C[C@H]1CC12CCCCC2	2047057664	CECLYEPNDAAPBO-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)C[C@@H]1CCC12CCC2	2047930875	BMMKWGOWSMFQQG-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)CC2CCC3(CC2)CC3)CC1	2049858808	PSQQJIPQGQHVHX-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC2(CC2)C1)CC1(C)CC1	2049862670	WNBKEYYVBNUUHC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@]1(C)C=CCCC1	2049998496	VYCZDLOLFRMDFI-DLBZAZTESA-N	243.394	4.556	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@]1(C)C=CCCC1	2050006396	MTSOVQBQTQTONV-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC1(C)CCCC1)c1ccco1	2050524180	BJNRCHRJRSJJEC-CQSZACIVSA-N	249.398	4.681	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@@H](C)CC=C(C)C	2051402584	JUHBJALNSRBZIG-DOTOQJQBSA-N	245.410	4.720	0	10	BJAE	
C[C@H](NC1CC(C2CCCCC2)C1)C1(C)CCC1	2052350803	BXIRDOXSUBKBOS-JEYLPNPQSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](c1cc(C)co1)C1(C)CCCCCCC1	2052481680	SOTQLNGJEKZKCD-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CNC[C@]1(CC2(C)CCCC2)CCCCC12CC2	2053360061	UNXZXOLENPPPRJ-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCC[C@@H](CC(C)C)C2)CCC1	2055549994	QLHPIIUHHNWWMR-BBWFWOEESA-N	249.442	4.680	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)CCC1=CCCCC1	2056447092	BFAVHKKZQJJHFJ-HZPDHXFCSA-N	248.410	4.908	0	10	BJAE	
O=C1CCCCCCC[C@H]1CC1CC(C2CC2)C1	2056665536	DUZWJCYLJXIUSN-SIWZUTFBSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1CC(C2CCC2)C1	2056676564	BAVZSPQMFADODF-MFNGEMCRSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCC1)C1CCC(C)(C)CC1	2056879542	UFLIBYGKAWSYMJ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
N[C@]1(C=C2CCCCC2)CC[C@H]2CCCC[C@@H]2C1	2056908921	YNTUCDGTHKSKTM-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCCCCCN1C[C@H]1CCC=CCCC1	2057104090	WVMIANHNNNMZIL-SJORKVTESA-N	249.442	4.778	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1CCC[C@H]2C[C@@H]12)NCC	2059261938	ILBICBJZIKFBRN-YSBOKNOISA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CC(=C3CCC3)C2)CC1	2061259222	ZWBKNVDNFGRZHN-XJKSGUPXSA-N	247.426	4.578	0	10	BJAE	
CCC1CCC(CN)(CC[C@@]23CCC[C@H]2C3)CC1	2061622455	LWCODIMGIXGMRG-ODZFXCKXSA-N	249.442	4.502	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)CC1CC(=C2CCC2)C1	2061699140	IUVMPOWMYGPVLG-HUUCEWRRSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1cccc(NCC2CC(=C3CC3)C2)c1	2061720968	QBPFFQWGOFOGSI-UHFFFAOYSA-N	241.378	4.722	0	10	BJAE	
Cc1c(CC2CC(=C3CCC3)C2)ccc(F)c1F	2061721531	XSICAGKBXCABTR-UHFFFAOYSA-N	248.316	4.706	0	10	BJAE	
CN[C@@H]1C[C@H](C[C@H]2C=CCCCC2)CC(C)(C)C1	2063642162	PFKYHWZELYKFHQ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@](CNC1CC1)(C[C@H]1C=CCCC1)C(C)C	2064501816	NNNWSBNXTDTFFZ-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
C[C@H](Nc1cccc(C2CC2)c1)[C@@H]1CCC1(C)C	2068288747	SBMBUIICJWUZCF-LRDDRELGSA-N	243.394	4.801	0	10	BJAE	
C[C@@H](NC1CCC2(CCC2)CC1)[C@H]1CCC1(C)C	2068346164	OVIDZTVYBZLEIX-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(C(=O)CC2C[C@@H]3CC[C@H]3C2)CC1	2068703805	NPZFCNZKGLUMJO-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1CC[C@H]2C[C@@H]1C2	2069264621	CXXKJQIWWYGTBC-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@H]1NCC1(CC2CCC2)CC1	2069582299	ZSRNZAOHSADHOV-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@H]2CCC3(CC3)C2)CC1	2072796885	TTZRRPAYKNGRCQ-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@]2(C)CC=CCC2)CC1	2072797124	WIGZEXXPBIOSHM-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@@]1(C[C@H]2CC[C@H](C)CC2)CC=CCC1	2072803517	IWOTYUBHVOYPJG-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@]12CCCC[C@H]1C2	2074025604	PNFWJDDTOVZJCF-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CCNCC1(C[C@]23CCCC[C@H]2C3)CCCCC1	2074032954	IHFOQBZKUQPORL-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
Cc1cccc(F)c1C(=O)CCC(C)(C)C1CC1	2075977435	VGLNQBYOKZPNAT-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@H]2CC[C@H]1C21CC1	2078335683	XHLHLAQEBJMALN-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
C[C@](N)(CC1CCC1)C[C@@H]1C[C@@H]1C1CCCCC1	2079832232	MJYDHYHBHHGFLG-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@H]2C[C@H]2C2CCCC2)C1	2079851386	KVRWCWAIMNDYCE-HOCLYGCPSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](CC)c1ccco1	2081945237	SHIDFDUVYWHLJT-ZDUSSCGKSA-N	247.313	4.544	0	10	BJAE	
CCC(C)(C)CC(=O)Cc1cc(C)cc(C)c1C	2082959147	KSHILYFCTSEZGR-UHFFFAOYSA-N	246.394	4.550	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2CCC=CCCC2)C1	2083041437	NWYNNLQWAHEGBL-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
COc1ccc2c(C3CCCCCC3)coc2c1	2086722565	LCXXZFIOOKIKKJ-UHFFFAOYSA-N	244.334	4.879	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@](C)(N)C1(C)CCCCC1	2215253019	OAQFTNCKDUXOCW-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)c2c(C)csc2C)CC1	2215817326	RCNFHJOYGVOPAM-CABCVRRESA-N	249.423	4.501	0	10	BJAE	
CCCC[C@](CC)(CNC1CCC1)CC(C)C	2217155520	CUVOWTJVQQALEW-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218331001	INMVGERDTJYXQF-HOSILWTGSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2218331766	FOJLYQLRGHHMBO-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)C[C@]12CCC[C@H]1C2	2218736499	ZJCHKRMQZZBVGM-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
C[C@H](C[C@@H](O)C/C=C/c1ccccc1)C(C)(C)C	2219062514	NGEQXCMYFLKYHY-BGVIPNPZSA-N	246.394	4.523	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCC1(C2CC2)CC=CC1	2219251820	YWZBZUHOYAXQRP-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccnc(C(C)C)c1	2220885290	KZGQRQGRKJDWQE-CQSZACIVSA-N	248.414	4.833	0	10	BJAE	
CC1(C)CCC(NCC2(C)CC3(CCC3)C2)CC1	2220934280	ABIOFOWNMCRJEV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC2CCC(C)CC2)CC1	2221643002	LEYBIOHZNXPJHO-PUJMQQBBSA-N	248.410	4.908	0	10	BJAE	
N[C@H](CCC[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC1	2222932898	IOIZPKBALFWCMA-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC2CCCC2)C=CCCC1	2223596662	QGSFBYJRKNBWQJ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CC)N(C)Cc1ccc(C2CC2)cc1	2223635995	DUIHFUFPVUJFLP-QGZVFWFLSA-N	245.410	4.575	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)c1ccc(C2CCC2)cc1	2223683223	GXVWCSHDKVIQFP-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](c1ccc2occc2c1)C(CC)CC	2224128293	SJWPEGHIIXYIBG-INIZCTEOSA-N	245.366	4.520	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNC2(C)CCCCC2)C1	2246688575	UZASNRITJJSLHZ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@](C)(O)C1CC2(CC(C)C2)C1	2247057699	MBHVZAYGJBDCME-MYLOQMAZSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCCC[C@@H]1C[C@@H]1C	2247166997	RGKAUZRFICPNDF-IMJJTQAJSA-N	239.447	4.747	0	10	BJAE	
CC1(CCC(=O)c2ccc(C3CCC3)s2)CC1	2250277100	IQKBLQSBGCTLGZ-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1(C)CC(C)C1)NCC	2250351874	HNQIBBUOAFAION-PWUWZPNHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1(CC)CCC1)NCC	2250359641	DWFSLLTWVBXEEP-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)[C@@H](C)C1CC1	2250479493	VLHCBPANRYHUQG-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(CN)C1CC1	2250491471	PKETUCCTGJIXIE-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
CC=CCCC[C@H](CCC1CC(C)C1)NCC	2251758032	VVJPMWYECVNXHX-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC(C)C)c1ccc2ccsc2c1	2253056335	HNHAZGURKKKQNL-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC=C[C@@]2(C)CNC(C)(C)C2)C1	2253933567	DKFAWJXGYWFROQ-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)[C@H]1CCCC2(CC2)C1	2254569863	SZCYYRTXOJAUME-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
N[C@H](C[C@@H]1CCCC12CC2)C1=CCCCCCC1	2255240819	ZOQLHOSCHZLNMN-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@H]1CCCC12CC2	2255313424	PTKLRYGJUXUKJQ-CQSZACIVSA-N	242.362	4.538	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C[C@@H]2CCCC23CC3)C1	2255327106	POPONOZATRVORX-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(CC[C@H]2CCCC23CC3)C1	2255330889	OQROBTAKOCDIES-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)[C@@]23CCCC[C@@H]2CC3)CC1	2260504195	DJMCCHVXLRYKID-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@@]12CCCC[C@H]1CC2	2260529191	ZLMQJENCRWJVTK-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(C[C@@]12CCCC[C@H]1CC2)C1CCCCC1	2260681823	DURSRXRYGXSVOY-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@@H]1CC)C(C)(C)C	2298126883	IXOJRENDXIZPQV-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)O[C@](C)(O)CCCC(C)C	2300473666	ARSSXTOGTANQGB-CABCVRRESA-N	244.419	4.507	0	10	BJAE	
CCC(CC)CC[C@]1(CN[C@H](C)CC)C[C@@H]1C	2300687887	HMEPCBGWVUJCDM-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@]1(CN)CCCC12CCC2	2300701276	QLAZSBXEYZAWAP-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC[C@@]1(C)C[C@@H]1NCC=C(C)CCCC(C)C	2300860516	IIENCHJOQAGRTA-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCNCC1(CC(C)C)CCCC1	2300863230	MUCAUZCWZMBYQX-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC(C)=CCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O	2300907673	VNVZUBQLTVCEHO-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CC(=CC[C@@]1(O)C=CCCC1)CCCC(C)C	2300915921	IBYMMWLMVUJUCK-MRXNPFEDSA-N	236.399	4.620	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@]1(O)CCCCCCCC1CC1	2301037189	NMYBXPWSRUSDIX-MIFYACCESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CC1CCCCCC1	2301236176	KDZULBOOHDUAFR-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
Cc1cccc(SCC2CCCCCC2)c1N	2301246406	GKEVJOKFYAVTNL-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C[C@@H](C)C(C)C	2301898963	DTZWXCONRRVSAY-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@H](C)[C@H](C)C(C)C	2301973062	XXMNHFLDJBLHEK-HZPDHXFCSA-N	241.463	4.671	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@@H]2CCC23CCC3)n1	2302269911	XSCZKIJZWDMVMR-WDEREUQCSA-N	247.407	4.704	0	10	BJAE	
C[C@H]1CCO[C@@H]1CCCCCC1=CCCCC1	2302350282	ZOUQEGPKJFAWDH-GOEBONIOSA-N	236.399	4.862	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC(C)(C)C1)C1CCCC1	2302692654	YYHIWSXMXWWXAI-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CC(=O)CC(C)(C)C2)C1	2302874077	ROEUIDGKXLKXAN-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1N[C@H](C)c1ccccc1F	2302892966	QSXYFBZOOWJCIC-SNVBAGLBSA-N	249.354	4.623	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@H]1CCC(C)=C(C)C1	2303577943	WDQZOBKTMIXASS-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](O)c1cccc(C(C)C)c1	2303716863	CZCCINXNGFQMOQ-MRXNPFEDSA-N	232.367	4.590	0	10	BJAE	
CCCCCC[C@@H](O)C12CC(CC(C)C)(C1)C2	2304395795	FJPMWUZPTLJUIZ-QQFBHYJXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)CCC)C1CC=CC1	2307816583	GMPPIYUPNMBSQR-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CCC[C@@H](C)CC1	2307892823	JYUYUUIGAVSNIP-UGUYLWEFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1CC2CCC1CC2	2307895045	OWSXXDLXSOPIRE-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](N[C@@H]1C[C@H]1CC)c1ccccc1	2308184397	DBBISHDEJXWULZ-DJIMGWMZSA-N	245.410	4.696	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1C)C[C@@H]1C=CCCCC1	2310971547	JMFQZLSJVRDSOM-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)C[C@@]23CCCC[C@@H]2C3)C1	2311160184	XPJNYWSRGMZTPE-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
CCC1([C@@H](C[C@@]23CCC[C@@H]2CC3)NC)CCCC1	2313321971	XUXQUTBLUOOPHG-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@]12CCCC[C@@H]1CC2)C1CCC1	2313323445	BSTIQUMSDCSNBT-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@]1(C[C@@]23CCC[C@@H]2CC3)CCCCCN1	2313353475	OMDIOGKLIIEZNA-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CCNC[C@H]1C[C@@H]1C1CCCCCC1	2316488354	HRMUJSAVXKYGQW-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
C[C@](N)(C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2316869334	GQCQMEGIEYAJSM-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317121399	LDAPSIZPKBANBB-QXSJWSMHSA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)CCC1=CCCCC1	2317948150	KHKLJMKDYQSHFF-GDBMZVCRSA-N	248.410	4.908	0	10	BJAE	
CC(C)(NCCCC1=CCCCC1)C1CCCC1	2318569562	RUIMUDYLBBBDKW-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
N[C@@H]1CCCC[C@H]1CC[C@@H]1C[C@H]2CCC[C@H]1CC2	2318799986	HRHWOGCYHXZUFN-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C[C@H]1CCC(C)(C)C1	2319025049	UIWVUTGGICPVLC-CABCVRRESA-N	245.410	4.520	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(CN)CCC=CCCC2)C1	2319073647	PATKQNGILATHJJ-NVXWUHKLSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CC[C@H](Cn2ccc3c(F)cccc32)C1	2319140040	CCKOCWPTZNIBFU-LBPRGKRZSA-N	245.341	4.607	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(N)CCC2(CCC2)C1	2320248980	IHNURHLVYWOKFI-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@@]23CCCC[C@@H]2CC3)CC1	2320266562	VRMQFHMETPIAIS-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC(C)=C(C)C1)C1CCC1	2320415033	WSJOBRAMZKCCQJ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(CCC[C@H](N)C(C)(C)C)c1	2320632673	LNJAWIRCVSORLX-INIZCTEOSA-N	247.426	4.506	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@@H](CC1CC1)C1CC1	2320701609	ZFGSNNUMDUKCPC-IAGOWNOFSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccc(O)cc2C)c1	2327682037	UKSGJWBLKFMXID-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C[C@H](C)c1ccccc1	2328271671	BQFPPDFMKJQEJN-YQQAZPJKSA-N	247.426	4.724	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2cccc3c2CCCC3)C1	19990894	TXZUBZCAZTXXBJ-UKRRQHHQSA-N	243.394	4.556	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@H]1Nc1ccc(F)cc1	20006340	ZHMDGRSRFFWBJC-LSDHHAIUSA-N	249.373	4.843	0	10	BJAE	
Sc1cc(Cl)c(Cl)c(Cl)c1Cl	33505804	RQRZJGHZAPYDCZ-UHFFFAOYSA-N	247.961	4.589	0	10	BJAE	
CCCCC[C@H](NCC)c1ccc(Cl)s1	35553030	NXCOCDOBGNWFMT-JTQLQIEISA-N	245.819	4.632	0	10	BJAE	
CCc1ccc(N[C@@H](C)C2CCCCC2)cc1	37212990	RUYLMBBJMDPAQF-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
Cc1ccccc1-c1cccc(C(=O)C(C)C)c1	49829362	LMLQGLQLFSDWRR-UHFFFAOYSA-N	238.330	4.501	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1Cl)c1ccco1	54083732	YMXJJLOIGLOPIG-GFCCVEGCSA-N	249.741	4.805	0	10	BJAE	
CCCN[C@@H](c1ccc2ccccc2c1)C(C)C	54441201	VRPCORTWBMHZQM-QGZVFWFLSA-N	241.378	4.537	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCC[C@H](CC)C1	70562436	NERYFJSDAOTHBB-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](Sc2ccc(C)cc2N)C1	71150143	OPKGCJINJZVECK-OLZOCXBDSA-N	249.423	4.638	0	10	BJAE	
CCCCC[C@H](NCCC)C1CCCCC1	82434278	RPUAGBSYPWFXKW-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2ccc(C=O)cc2)cc1	84051784	SFXRSGQIOYMQIH-CYBMUJFWSA-N	238.330	4.680	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CC2CCCC2)CC1	86939187	FYKACYKXPSBULS-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](NCC)C1CCC(C(C)(C)C)CC1	87988008	OYHPPMSXCGDOLX-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CC1CCCCC1)C(=O)O	103940291	WHRXGKPKERUCAX-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CC[C@H](N[C@H](C)C1CCCC1)C1CCCCC1	103982430	VMAFOOAKVMBDEP-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1cc(C)ccc1O	107486725	JSSFXYQISMEZGE-FMFIFOJESA-N	218.340	4.551	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CNC(C)(C)C)CC(C)C	110183734	OIHJGKPJFYMEAQ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CCC1CCCCC1)c1ccco1	110226657	HBMSPLIENOOCKK-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
CC(C)(C)c1ccc(-c2ccc(F)cc2)cc1	112732872	SQJUFYHBKACHCY-UHFFFAOYSA-N	228.310	4.790	0	10	BJAE	
CCC(CC)C(=O)c1cc(C)c(C)cc1Cl	122199123	UKVBFGPIHCBCRN-UHFFFAOYSA-N	238.758	4.576	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@@H](C)CNC1CC1	133149907	QUGXNCULNGBWNB-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@H](N)CCC(C)C	158715043	ZEPVTPJXEFGSNB-USXIJHARSA-N	247.426	4.580	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C[C@H](C)CC	162416935	RNBAKKCWJKHNOF-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2CCCCC2)CC1	203537800	ZYSXVDDXDVCUKM-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CSc1ccc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc1	221618466	CEVCLCOFCBNBCA-TYNCELHUSA-N	249.423	4.645	0	10	BJAE	
C1=C(CCN[C@@H]2CCC23CCCCC3)CCCC1	230169381	QRXLXBGLMMDICW-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)C1(C)CCCC1	233617319	QXZLKNICMIUILO-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
Fc1ccc2c(c1)[C@@H](C1CCCCCC1)CCN2	257850594	AZLINMNRBFGIMU-CQSZACIVSA-N	247.357	4.695	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)c1ccc(Cl)s1	300940982	ORMHBJZTFFVGDJ-ZJUUUORDSA-N	246.803	4.507	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CCC2CCCCC2)[C@@H]1C	302250864	KTTLVOPAQWHNPF-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)C[C@@H](C)CC(C)(C)C	305956158	NUBDIERCXCTFEZ-RRFJBIMHSA-N	241.463	4.848	0	10	BJAE	
CCCC[C@H](CC1(C)CCCC1)NC(C)C	309253045	ANTOCPAZULJXAR-CQSZACIVSA-N	225.420	4.514	0	10	BJAE	
CC1CCC(C/C=C\CCNC(C)(C)C)CC1	310135881	LXWQPVQZDRLXEZ-WAYWQWQTSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC1(C)CCCC1	310351212	HFMKCZSYWXZQAL-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](C)Nc1nccc2ccsc12	310393200	DYXFBKHNMKAVGN-NSHDSACASA-N	248.395	4.677	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)C2(CC)CC2)cc1	310617190	FKSPGNUNJWTHMD-XJKSGUPXSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)[C@@H](C)C2CCCCC2)c1	310783546	FZHAHDDAISPLDU-YOEHRIQHSA-N	246.394	4.553	0	10	BJAE	
CC[C@H]1CCC[C@H](CNCCCC(C)(C)C)C1	313281654	LLAHYBQHTUKTHR-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC(C)NC[C@]1(CCC(C)(C)C)CC[C@H](C)C1	318122763	VWKKCYHERMKFIY-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@](CNC2CC2)(CC2(C)CCC2)C1	318416226	MRMSWRMDERLINC-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(O)CCC[C@@H](CC(C)C)C1	318938307	YNEXJHVBFRUQEB-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)c1ccc2sccc2c1	319682492	JSTKALFVGHQION-RWSFTLGLSA-N	247.407	4.583	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](CC)C1CCC1	322518824	IQZKWSGXMSWTQF-GJZGRUSLSA-N	225.420	4.514	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)c2cc(C)cc(C)c2)CC1	328342230	MQDHMNOGOCNVNC-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C1CCC(C)CC1	383283561	PMUXXWIYRNGLBL-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC)CCC[C@@H]1CCC[C@H](C)C1	383647577	GTCLHBUZUKOHON-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)CC(C)(C)C)CC1	384400429	CKFJCSISWYGLLV-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C1CCC(C)CC1	385126465	GKRJWDJQVGXKAS-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H]2CC23CCCCC3)C1	387095870	DVKZUFGKGXFRAO-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CNCC1(CC(C)C)CCCC1	394608157	SCEQQEKMSOGBGB-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCc1cc2ccsc2c(C(F)(F)F)c1C	396303790	MHEZSOMZJBLKLM-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CSc1ccc2c(C)c(C(F)F)sc2c1	396408423	PCOBCFZLVBOWAH-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCN[C@H](CCC1CCC1)c1cccc(C)c1	398654676	MGLXXIPAIVMPJJ-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)[C@H](C)C(C)(C)C)c1C	399162293	MDUBXYIFVZLOBH-GOEBONIOSA-N	248.410	4.636	0	10	BJAE	
CCCC[C@H](NCC(C)C)[C@@H](C)c1ccccc1	405573823	XFNGSMFVKLINKZ-RDJZCZTQSA-N	247.426	4.595	0	10	BJAE	
Cc1ccc(C)c(NCC2(C(C)C)CCC2)c1	687280222	RRARDPJNCSALQV-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
Cc1ccc(Cl)c(NCCCC2CCC2)c1	688373175	ZBUXHPTXSDCGPQ-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](CCCC2CCC2)C1	688400356	DYDIQXVJRCTCMG-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H]1Nc1cccc(-c2ccccc2)c1	689639981	OOODFTNVFRGQAX-CXAGYDPISA-N	237.346	4.564	0	10	BJAE	
c1ccc(-c2cccc(N[C@@H]3CC[C@@H]4C[C@@H]43)c2)cc1	689642741	KIMVDLGHZJPMIK-BPQIPLTHSA-N	249.357	4.564	0	10	BJAE	
CC1(CNc2ccc(C3CCC3)cc2)CCCC1	690085556	OXQBHKQBDDPGAG-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC[C@@H]2C[C@H]21)C1CCCCC1	691753192	FEFHAHMQMNCDKL-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCC)C1CC(C)C1	691941831	OUWDJWNIORJYOI-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)CC1CCCCC1	695146019	HYFUYQKWUYEPDC-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1CCC2(CC1)CC2	695624456	YUKKUXHJOQJFSC-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCCC1(C)C	696663253	LGSPEOPVQJUVHI-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@](O)(CCC(C)(C)CC)[C@@H]1CC1(C)C	696726917	IWSLBERXYPRVSY-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1ccc(F)c(C)c1	697771581	LYBWCBONVYVVDX-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@H]1CCCC12CC2	706216608	QEQOTDRVBINHDE-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]21)C1CCCC1	707800989	SRKYBBZPCVOOLI-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H]([C@@H](C)[C@H](C)CC)[C@H](C)CC(C)(C)C	708284099	QRTDMRKJKQQTIO-APIJFGDWSA-N	241.463	4.719	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCC1(C)C)CC(C)(C)C	709106899	WIXGYJOLHDBXND-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H](C)CC(C)(C)C	709129979	NVRRCNJFCPCPIF-QLFBSQMISA-N	241.463	4.993	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@](C)(N)C1CCCCC1	709213594	NDNDSDMSOQFVTE-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(N[C@H]2CCCc3sccc32)cs1	710768702	XSLRMZAFYFPLHT-LBPRGKRZSA-N	249.404	4.608	0	10	BJAE	
C[C@H](C[C@@](C)(O)CCC(C)(C)C)C(C)(C)C	710795185	APPJNRUOZCLPPX-DOMZBBRYSA-N	228.420	4.636	0	10	BJAE	
C[C@H]1CCC(C)(C)c2sc(C(C)(C)C)nc21	713092935	CQMYGJCXLQZHTJ-VIFPVBQESA-N	237.412	4.616	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@@H]1CCCCC1(C)C	713132789	KNGRCBKMJARUCF-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCC[C@H]1CCCCC1(F)F	713701602	NYEOBKAZORKDPX-PCAWENJQSA-N	214.299	4.724	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)CCC(C)=C(C)C	718653308	QBNKSQQYSMWGPZ-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CCCC(CCC)C(=O)CC1CC(C)(C)C1	723574155	PVMUXCHXEKVHCO-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CC[C@H]2CCCC[C@H]2C1	723648552	VNAZDMLVHIEAQZ-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CNc1cc(CC2CCCCC2)cc(C(C)C)c1	725389048	TVWZZPGOOZIWDO-UHFFFAOYSA-N	245.410	4.975	0	10	BJAE	
Cc1ccc(S[C@@H]2CCC[C@@H](C)C2)c(C)c1	1164595734	GNACTNVHNJVLMH-BXUZGUMPSA-N	234.408	4.974	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCCC1(C)C	1900714107	UBUBWRHGYDMIHX-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CCCC(C)C)NC	1905398693	PLNWPLNMQFVVNO-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC=C[C@@H](NCCC)c1cc2ccccc2s1	1911976476	ISVHUXFMKMSJEY-CYBMUJFWSA-N	245.391	4.518	0	10	BJAE	
CC=CC[C@@H](C)c1cc(Cl)c(C)cc1OC	1911994295	YCDQTJCYUYCDST-SNVBAGLBSA-N	238.758	4.727	0	10	BJAE	
CC(C)CCC[C@@H]1CCCCCCCC[C@@H]1N	1913405393	SRCQEQUPSUXOPA-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc(O[C@@H]2CCCC[C@H]2C)c(Cl)c1	1936612105	DLDQYBDCTUKUFG-DGCLKSJQSA-N	238.758	4.606	0	10	BJAE	
CCC(CC)(CC)CNCCC[C@H]1CC1(C)C	1940880790	CAZZJVQHQPUOLZ-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C[C@@H](C)C1CCC(N)CC1)CC(C)(C)C	1940967838	UVYUXEIEOGDEEV-LMRVLLHPSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CCC12CCCCC2	1941352582	AESPNGCCDCXQFS-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(=O)CC(C)(C)C(F)F)CC(C)(C)C	1941602793	RKSKHMVTKXKLBM-SNVBAGLBSA-N	248.357	4.699	0	10	BJAE	
CCC[C@@H](C)C1(CNC(C)(C)C)CC(C)(C)C1	1941982325	QYAMEMSKVSIUMR-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CCC[C@H](C(C)C)C1	1942658963	IETLNZSIWSESEE-JYJNAYRXSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC[C@@]1(C)C=CCCC1	1943135398	JXSUKHIZIZDGNS-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C(C)(C)C(C)C	1944669428	ZIAGLJCCKDFJKG-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
Fc1cccc(F)c1CCC[C@H]1C=CCCC1	1947559013	ODOCODPDFKSDRS-LBPRGKRZSA-N	236.305	4.644	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)[C@@H](C)CC(C)C	1948325310	GDFUQVSUCQKZFL-QWHCGFSZSA-N	237.362	4.617	0	10	BJAE	
C[C@H](CC(=O)CC1CC2(CC2)C1)CC(C)(C)C	1948674360	FLLZBZIBQUDMMM-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H]3C[C@@H]32)c(C)cc1Cl	1948808415	AXEXBRFDOGVXSH-SGMGOOAPSA-N	249.785	4.557	0	10	BJAE	
CCC1(C[C@@](C)(N)C(C(C)C)C(C)C)CCC1	1948980903	FGEXYFFPBXHMLU-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1CCC=CCC1	1949081049	DFDXKYTVUNXHDK-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC(C)(C)[C@@H](N)C1	1949651376	ATSKKDCWEWUSTR-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)[C@H](N)C1)CC(C)(C)C	1949659654	FKMTVIDGEHHPQJ-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@H](CC)C1)C(C)(C)C	1949824785	DPALJKBUUGTSCU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CCC[C@@H](C)CC1	1950925113	QIYPLOGFBUQJNI-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
C1=C[C@@H](C[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	1960867470	AOYVWHVXKOTLMM-KBXIAJHMSA-N	204.357	4.559	0	10	BJAE	
C1CCC(CCCN[C@@H]2CC[C@H]3CC[C@H]2C3)CC1	1966364560	SVIAZFIKYSHQQV-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CN[C@@H]2CCCC3(CCC3)C2)C1	1973675233	OQQXNXFVSPQLPO-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](C)(CN)CCC1CCCCC1	1978628313	UFDOGNPLFPCVKL-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H](C)CCCC	1984636095	WFCKYOPUOIIKRH-VZLFFANISA-N	225.420	4.537	0	10	BJAE	
FC1(F)CCC[C@H](CC2CC(=C3CC3)C2)C1	1985530144	CUOZPZVTZKBSOP-SNVBAGLBSA-N	226.310	4.702	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)C1(C)CCCC1	1987597791	BXVRWCUBHIRKAC-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@](O)(CC)CC(C(C)C)C(C)C	1988237830	GYGVCWSDMVKRQH-HNNXBMFYSA-N	228.420	4.636	0	10	BJAE	
Cc1cc(O[C@H]2CCC[C@@H]2C)c(C)cc1Cl	1989922790	PNFVFDJVKAZPSG-ZANVPECISA-N	238.758	4.524	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@@H](C)CCC(C)C	1990903848	ONEBPZJKQDJQHB-GJZGRUSLSA-N	227.436	4.712	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@@H](C)CCC(C)C	1998030394	QCQKOYFILGXQGN-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)c1ccsc1	1999992023	TVTDLICYHFPMLS-DZGCQCFKSA-N	249.423	4.535	0	10	BJAE	
CC1(C)CCC[C@H](C(C)(C)CNC(C)(C)C)C1	2000162017	JMXQKSYTEJDBAB-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2002220667	GLLNREUMQYSMCU-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC1CC(CC)C1)C(C)(C)C	2002351249	NVVBBWQBNVLWIX-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
C[C@@]1(C(=O)CCCCCC2CC2)C=CCCC1	2003336206	ZRMXJYBJRWMGDL-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H](C)C(C)(C)C)CC1	2004342516	SVPCTMOVBWSSIK-JEYLPNPQSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC([C@@H](N)C2(C)CCCCCCC2)C1	2004922993	MFDZGSUSHKIULA-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@H](NC)[C@@H]1C	2006987309	XSXGFRAGIZDFHL-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(CF)cc1	2007017694	MROWSIDARHUBLH-CYBMUJFWSA-N	237.362	4.784	0	10	BJAE	
CC1(C)CCC[C@H](Nc2ccc(CF)cc2)C1	2007025497	KEVCOSWEBGIZME-AWEZNQCLSA-N	235.346	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H]2CCC(C)(C)CCC2=O)C1	2009405244	WSMNKVLLDMIWRK-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCCCC1CC(NC2CCCCCC2)C1	2009715306	CMQAPGFQSBHKAY-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
CC[C@H]1CC=C([C@@H](CCCC(C)C)NC)CC1	2010770462	YTMSRROSYQFSTP-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C(=O)CC[C@]23CCC[C@@H]2C3)c(C)s1	2011015727	IRKAPXPUNLWNSE-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(C)c(C)c1	2013264545	NWJBOCNOSGZOCO-OAHLLOKOSA-N	233.399	4.930	0	10	BJAE	
CC(C)(C)CCC(=O)[C@]1(C)CCCC(F)(F)C1	2014955218	UFIKWXYHXDSVPQ-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CCCC1(C[C@H](CC2(C)CC2)NCC)CCC1	2015643406	BMRBKLZJRDYOFN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@H](N)CC2(C)CCCC2)CCC1	2015643457	CDXJILHIGWHDCG-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCSc1cccc(N[C@@H](C)C2CC=CC2)c1	2016331305	OZFDVCSXEKEDBG-LBPRGKRZSA-N	247.407	4.565	0	10	BJAE	
CC(C)C1(C[C@@](C)(O)CCC(C)(C)C)CCC1	2017113296	YARTXFRQPFAYNA-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCC[C@](O)(CC2(C(C)(C)C)CCC2)C1	2017114064	HYQCAIITINNWHO-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)CC(F)=C(C)C	2017463409	KHVJBUXHLPPJJB-OAHLLOKOSA-N	243.410	4.834	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@]1(C)C=CCCC1	2018130301	NULZEVPWHYGLAS-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCC1(C[C@@H](O)C[C@H](CC)C(C)(C)C)CC1	2018975088	IQJCDEGIBSZOHQ-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC=C([C@H]2CCCC(C)(C)C2=O)CC1	2020387650	BIYYCHDBQRRMSV-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](O)C[C@H](CC)C(C)(C)C	2022459200	GCGZYBJUTCTLGJ-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
CCCCN(C[C@@H]1C[C@@H]1C(C)(C)C)[C@@H](C)CC	2022619544	GDXLYSSTPLRACV-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@@H](C)[C@@H]1NC	2024004622	QQQBBLGGPNJXTI-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1N[C@H](C)C(C(C)C)C(C)C	2027110726	YMQZAZRABISSAC-CQSZACIVSA-N	247.426	4.978	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)c1cocc1C	2027302587	WKDJSUPSJVNGAS-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC(C)c1cccc(C(=O)CC[C@H]2CC2(C)C)c1	2027814748	ISSAVIMGBQYNRS-HNNXBMFYSA-N	244.378	4.819	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC2CC2)CC=CC[C@@H]1C	2027925566	GAIMAEXWLGVRMI-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)CCCCCC1CC1	2028626220	RCMAXQHAXNOCEA-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cccc2c1CCCC2	2029729603	YAPLUPQVSXKZKE-ZDUSSCGKSA-N	244.378	4.574	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(N)C[C@H]2CCCC[C@@H]2C1	2034162202	RTLIJLGKAPZBKW-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1C[C@@H]2CCCC[C@H]2C1=O	2034259327	RLWSUQGOMBBJMY-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)C1CCC(CC)CC1	2035589741	HVJIVPXIPVFXRD-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CC12CCCC2)C1CCCCC1	2036105416	LBIXNPAKVRMFBD-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC1CC2(CCC2)C1)CC1(C)CC1	2038087668	KYUARVBMALXJLM-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC[C@@H]1C=CCCC1)CC1CCCCC1	2038164265	GAPBNWZBQATBRC-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C[C@](O)(CCCCCCC1CC1)c1ccccc1	2038175271	UKKWYWIXLKRMSZ-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CCC2(CC2)C1	2038572515	QPUNTZXWXJDXOC-ZDUSSCGKSA-N	242.362	4.573	0	10	BJAE	
CNC[C@@]1(CC2CCCCC2)CC12CCCCC2	2039002411	ITEFYRWKIFSVTQ-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@@H](CCC[C@H]1CC1(C)C)C1CC=CC1	2042024897	QEWBVVBTYBOKAL-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC(C)NCC1(CCC[C@H]2CC2(C)C)CC=CC1	2042095286	ZFJIMLFWDPVXKF-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)[C@@]1(C)CC1(C)C	2045326989	RWHVICJPSKDCRG-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)C[C@H]1C=CCC1	2045985359	XCRPMPPYBBKOHV-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCC1CCC1)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047405332	BBKDAYXWGHBJJO-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(N)([C@@H]2[C@H]3CCCCC[C@H]32)CC1	2049225045	KVZSRPIYFCKJCD-LJEMCRLJSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@H]2C2CCCC2)CCC1	2049672258	KNPFYHXMBCOISY-DLBZAZTESA-N	249.442	4.658	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@@H](C)C1)[C@]1(C)C=CCCC1	2050008633	VJKOVOULUSONSQ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC[C@H]1CC)c1ccco1	2050528780	WWPLIJQAJKGGIZ-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1cccc(F)c1C	2051408956	ZRZPYBSKKPMZRH-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCCC12CC2)C1CCCC1	2053347017	RQWBHFGRBZVPLK-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@H]2CCCCC23CC3)C1	2053434123	OGCWYZPFVALPMB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cnccc2C(C)C)C1	2053852868	BTTKHGUSWSVFNX-KGLIPLIRSA-N	246.398	4.586	0	10	BJAE	
CCCN[C@H]1C[C@H](C[C@H]2C=CCC2)C[C@@H](CC)C1	2055039526	PGCBPAXRPBYOMH-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@H]1CCCC=C1C)c1cccc(C)c1	2055668349	CKLADAMGBQYZLS-IRXDYDNUSA-N	243.394	4.535	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(C=C2CCCCC2)CC1	2056920002	NJXSVUJTYQYPTD-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CC1(CC[C@H](N)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	2059180368	JZOGWMLIFDHAIT-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C=C=CC[C@@H](C[C@H]1CCC=CCCC1)NCCC	2059446582	JLGFIAMSTPJLCA-IRXDYDNUSA-N	247.426	4.612	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)[C@@]1(C)CC1(C)C	2061081437	ONZRAZBABNVRBD-FRFSOERESA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(N)CC(C)(C)C[C@H]2C)CC1	2061121344	FLYJFTGKAKXZLY-CKEIUWERSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1ccccc1NCC[C@@]12CCC[C@H]1C2	2061571505	KYHCQHQJAHICMO-WMLDXEAASA-N	243.394	4.802	0	10	BJAE	
CC[C@@](N)(C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCC1	2063491356	QZQMSFDMCOVPOZ-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)CC12CCC(CC1)CC2	2065302278	GBBGUXHMWJKGTF-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CNc1ccc(OC(C)C)cc1)C(C)C	2070268262	BQZFWEFWWKWSPX-AWEZNQCLSA-N	249.398	4.568	0	10	BJAE	
Cc1ccccc1[C@H](N)CC1(C(C)(C)C)CCC1	2071944442	XFJVPWKDFZISHF-OAHLLOKOSA-N	245.410	4.601	0	10	BJAE	
Cc1ccc([C@H](N)CC[C@H]2CC[C@H](C)CC2)cc1	2072800540	FKWZQYDOOYHXNN-FRFSOERESA-N	245.410	4.601	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H](C)c1ccccc1	2073340063	JVNUFFKWFCLIBG-DOTOQJQBSA-N	247.426	4.868	0	10	BJAE	
CCCC1(CC(=O)C2(C)CCC3(CC3)CC2)CC1	2074570502	DBHGHJAEHNCEDH-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H](C1CCC1)N(C)[C@H]1CCC12CCCCC2	2075011065	RAQXOKIPQRCKFI-HOTGVXAUSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]([C@H]1CCC[C@@H](C)C1)N(C)[C@@H]1C=CCCCC1	2075404696	CJIAKKYLBZWVBT-LTIDMASMSA-N	249.442	4.632	0	10	BJAE	
CN([C@H]1CCCC1(C)C)[C@@H]1CCC2(CCCC2)C1	2077359687	GNBBIDHWUPHJNF-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CCCCc1ccc([C@@H]2CC[C@@H](C)C(=O)C2)cc1	2077923309	KWHRLDIYCPMSKJ-CZUORRHYSA-N	244.378	4.502	0	10	BJAE	
CCCCc1ccc(-c2ccc(O)cc2F)cc1	2077926751	DSQSONUPNBBRQE-UHFFFAOYSA-N	244.309	4.541	0	10	BJAE	
CC1(C)C[C@@](C)(CC[C@H]2CCCC3(CC3)C2)CN1	2078855623	GEPVZIKEVDIHEX-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
c1ccc(NC[C@@H]2C[C@@H]2C2CCCCCC2)cc1	2079446049	HMWBKXSLKKLLRE-DOTOQJQBSA-N	243.394	4.705	0	10	BJAE	
O=C(CCC1CCCC1)[C@@H]1C[C@@H]1C1CCCCC1	2079493002	UZXMEMCVXPJZNW-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2C[C@@H]2C2CCCCC2)CCC1	2079837981	DTZWMRJHILLPCB-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C=C1CCC1)C1(C)CCC(C)(C)CC1	2080233443	KSGDLIVFNJUODM-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCc1ccccc1[C@@H](C)N[C@H](C)CCC(C)C	2081208663	HYLYEJLRLRPVHD-HUUCEWRRSA-N	247.426	4.724	0	10	BJAE	
CN[C@H](CC=C(C)C)C[C@@H]1C[C@@H]1C1CCCCC1	2081781139	SCMNOYOZGAXKLO-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C(=O)CCc1cccc(C(C)(C)C)c1	2083550421	NOAVNECTHCKQLC-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CCC1C[C@@H]2CC[C@H](C1)N2[C@H]1CCCC(C)(C)C1	2084427883	VYPJULNAOJFJJZ-UYTSQGDYSA-N	249.442	4.608	0	10	BJAE	
CC(C)(C)CCCC[C@H](N)C1CCCCC1	2211235208	WMVDXXNTHARTPA-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](O)CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213294413	MDCIHYQXZQMXDC-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CN[C@H](CCCCCCCC2CC2)C1	2213573923	MVQWDMJAALOACN-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
NC[C@@H]1CCCC[C@@H]1CCCCCCC1CC1	2213574169	QFGLEGUQUVIYRP-HOTGVXAUSA-N	237.431	4.502	0	10	BJAE	
Cc1ccc(C/C=C/c2ccccc2)cc1Cl	2213824077	BGDGZTLUSQCWOM-VMPITWQZSA-N	242.749	4.904	0	10	BJAE	
CC(C)(C)C1([C@@H](O)CCCCC2CC2)CCC1	2214577134	FZBYHPNDWYCMDL-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@H]1CCCCCCCC[C@H]1O	2214970904	QYSYEZYBOFZWGL-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@](C)(O)CC1CCCCC1	2215249045	ILRCEAQYECHCIU-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@@](O)(CC2(C)CC(C)(C)C2)CC1	2215381476	BCLMODMYFCUEAS-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CC1(C)CC(C)(C)C1	2215442732	UKPDYHHESBORTM-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1c(C)cccc1C	2216059489	BNWPUCYZQHVJBW-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCC[C@@H](C(C)(C)C)C1	2216254379	ZJSMYIGWJSXATO-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC(NCCCCCCCC2CC2)C1	2216891275	HQYGJLVMGQWVCS-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C(CCCC1CC1)CCNC[C@H]1CCCC12CC2	2218715372	UJVZYJVZXNACBK-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)C/C=C/c1ccccc1	2219062021	IOAPAYLWVAUXKL-SAAWKEMMSA-N	246.394	4.523	0	10	BJAE	
CC[C@@](N)(CCCCC1CC1)c1cccc(C)c1	2220030017	HXUXWHONQLPMIF-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)Nc1ccnc(C(C)C)c1	2220863060	FRTUZBQKUPIBEA-UONOGXRCSA-N	248.414	4.688	0	10	BJAE	
CCN[C@H](CCC[C@H]1C[C@@H]1CC)c1ccccc1	2220874925	IZACRDKKWYYJDS-BHYGNILZSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1cccc2ccccc12	2220930404	VLPGNHUQBCJNGY-UKRRQHHQSA-N	239.362	4.688	0	10	BJAE	
CN[C@@H](CC1(C)CC(C)(C)C1)[C@@]1(C)C=CCCC1	2221028671	RTRYYXBGYJOOOG-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@]1(C)C(=O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222982344	SJLJAFIHISTSGT-KDEOKCCVSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@]1(CNC1CCC1)C1CCCCC1	2223540604	ALVCJARLFOPPNK-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C(F)F)n1ccc2cccc(Cl)c21	2246147361	UJTJOWXRYABVGR-JTQLQIEISA-N	243.684	4.511	0	10	BJAE	
CCC[C@@H](C)C(=O)CC[C@H]1CCCCC12CC2	2246605241	CTQRCRPCJCBSOR-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C)[C@H](C)CC[C@H]1CCC[C@H](C)C1	2246731117	WSVIBCTWHKJTSU-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@](C)(O)CC1CCCC1	2247129996	RTVNWQWDOQLMSA-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(NCC2=CCCCC2)cc(C)c1Cl	2247494611	NKUUPIMCVRZPBG-UHFFFAOYSA-N	249.785	4.869	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CC1=CCCCC1)NC	2247531917	PYSVGIYYBBZARJ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CC[C@H]1CCCC12CC2	2247646283	WCYIVDIKNZMHQY-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)[C@H]1CC12CCC2	2248291800	OORNMKPOWKGQGV-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1(N)CCCCCC1	2248805233	FSOFGIKAVVPIAO-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@]12CCCC[C@@H]1CC2	2251119743	VRPRPDVGNGHAEF-LZWOXQAQSA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(CC(=O)c2ccc(C(C)C)cc2)C1	2253683627	YUNPEHABFKWMDX-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCC1(CC)CC(N)(CC2CC3(CCCC3)C2)C1	2254112676	GHMAMECOXSWOON-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNC1CCC2(CCC2)CC1	2254504577	JJCINOKYMFKIQK-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)CCCC[C@@H]1C[C@H]1C	2254584825	MANTWYMZCUOWLC-HLLBOEOZSA-N	245.410	4.506	0	10	BJAE	
CCNCC1(C[C@@H]2CCC23CCC3)CCCCC1	2254817647	NCKPMBDEMMWWPK-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC(C)NC[C@@H]1CCCC[C@H]1CC1=CCCCC1	2255141969	VNRPEUFAWKXTOG-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCC[C@H](C)[C@H]1C	2256145253	VTRPQGRXSWPRKY-YWPYICTPSA-N	249.373	4.625	0	10	BJAE	
N[C@H]1C[C@@H]2CC[C@H](C1)[C@H]2CCCCCCC1CC1	2258026649	JSDALDURFRWKRQ-DSPLQEQRSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cccc(C2(C)CC2)c1	2259434617	DEHXATLTINXNJJ-XJKSGUPXSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2CC3(CC(C)C3)C2)C1	2259554742	RYCWRYMFWAQHCI-LBFCRXEYSA-N	248.410	4.598	0	10	BJAE	
CCC1(NCC2CC3(CC(C)C3)C2)CCCCC1	2259556322	LVJGJYAYKMWTKE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1OC[C@@]12CCCC[C@H]1CC2	2260577480	FVZUFYZSXMIYTC-RDJZCZTQSA-N	244.378	4.598	0	10	BJAE	
CCN[C@H](C[C@@]12CCCC[C@@H]1CC2)C1(C)CCC1	2260675918	ZSUNJOBUFGZAHS-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@H](N)c1cccc(C2CCCC2)c1	2260728120	YLFCJHBJYLVARX-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1C[C@@H]2CC[C@H]1C2	2298416449	PPVURHUPEXQAFY-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCCCN1CCCCCC1CC1	2298876754	NWLOWZSORNFKMZ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC[C@](C)(C(=O)CCCCCC(C)C)C(F)F	2299833586	JLUARYVGMDHNTB-CQSZACIVSA-N	248.357	4.843	0	10	BJAE	
CCC(CC)CC[C@H]1C[C@@H](C(C)C)CCC1=O	2300699279	FQAGDEPCUDHNFL-GJZGRUSLSA-N	238.415	4.844	0	10	BJAE	
CC(=CC[C@]1(CN)CC1(C)C)CCCC(C)C	2300861337	QUBAODSHDCFTGA-MRXNPFEDSA-N	237.431	4.524	0	10	BJAE	
CC(=CC[C@@H](N)[C@H]1CC1(C)C)CCCC(C)C	2300877315	PNXUXKSOSKSFIF-HUUCEWRRSA-N	237.431	4.523	0	10	BJAE	
CC(=CC[C@@H]1CC[C@@H](C)[C@@H]1N)CCCC(C)C	2300904178	MDTJRMRPANAMBE-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC1CCCCCC1	2301136005	RQAUIOZDGMMQPM-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC2CCCCCC2)[C@H](C)C1	2301142142	GUPMVFTUINGNQG-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H](O)C[C@H](CC2CCCCCC2)C1	2301240404	ZCUKWJMYZSZUQU-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](C)(CNC)C[C@@H]1CCC(C)(C)C1	2302720088	KLAZZGCJWDAFBK-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1CCC(C)=C(C)C1	2303515646	JFCCNHXDAPZNKW-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CCCCCCN(C)C[C@@H]1CCC(C)=C(C)C1	2303593009	RDHATRZQLNNKFD-MRXNPFEDSA-N	237.431	4.635	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](C)C(C)(C)CC)c1	2304018807	HVPPAHNPTHOOKA-NSHDSACASA-N	237.362	4.625	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(C)(C)CCC1=O	2307801641	ONXYNRDUDDCMAO-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC[C@@H](CC)CC1	2307841267	GCBOYAQOOKIXEG-PMPSAXMXSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](CC)CC1(CNC2CCC2)CCC1	2307842249	IGMIHMZBICHKOL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC[C@@H]2C[C@H]2C2CC2)CC1	2308415202	ZBVAVOPQWQVPOR-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@H](N)C[C@H]1C=CCCCC1	2309889983	JTVHBDYWACRYST-MWDXBVQZSA-N	249.442	4.523	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2311152452	PNEKMNODCKEHBU-JHNDHUHGSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](C[C@H]1CCC=CCCC1)NC	2311505264	WJESRHVBFUPMFL-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCc1cc([C@](O)(CC)CCC(C)C)ccc1C	2314637916	XMSXBJUOCKEDAM-KRWDZBQOSA-N	248.410	4.591	0	10	BJAE	
CCC(CC)CC[C@@H](C)[C@@H](NC)c1ccccc1	2316244842	CIEOZEDJSCFWRC-RHSMWYFYSA-N	247.426	4.800	0	10	BJAE	
CC(=CCNCCC1=CCCC1)CCCC(C)C	2316499782	RMLCIBYSFZPUCS-UHFFFAOYSA-N	249.442	4.849	0	10	BJAE	
CCC(C)=CC[C@H](NC)c1ccc(C(C)C)cc1	2316503836	RKKDUNMOJWTIKI-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CCC(C)=CC[C@H](NC)c1cc(C)cc(C)c1C	2316538954	ZANYSXMIWUTIJV-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
Cc1ccc(OC[C@H]2C[C@H]3CCC[C@H]2CC3)cc1	2316874199	KGSOTFPXEOUGKX-HRCADAONSA-N	244.378	4.590	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@H](C)[C@H](C)C(C)C)cc1C	2317830626	IUJXFWYKEDXEQA-INMHGKMJSA-N	247.426	4.540	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CCC[C@H](C)C1	2317915110	JNUMAPLPIHELGJ-JSGCOSHPSA-N	249.373	4.940	0	10	BJAE	
CC1(C(=O)CC[C@H]2CC[C@@H]2C2CC2)CCCCC1	2319736418	DUMSJGPALFWHQX-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)cc(OCC[C@H]2CC[C@H]2C2CC2)c1	2319750134	QQGLQJKVVWUVEW-WBVHZDCISA-N	244.378	4.509	0	10	BJAE	
CNC[C@]1([C@H]2CCCC[C@@H]2C)CCC(C)=C(C)C1	2320267001	ZDVFVMLWWVHZJW-XIRDDKMYSA-N	249.442	4.539	0	10	BJAE	
CCCCN(C[C@H]1CCC(C)=C(C)C1)C1CCC1	2320336784	INEIFCDBOVCSAV-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC1=C(C)C[C@H](NCCCCC[C@H]2C[C@H]2C)CC1	2320368527	IFFURAGLXGFRKP-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@](CN)(C2C[C@H](C)C[C@@H](C)C2)CC1	2320397507	IYYVFTIOLMPFPH-PBFPGSCMSA-N	249.442	4.524	0	10	BJAE	
CCC[C@@H](Nc1cc(F)cc(CC)c1)C1CCC1	2321083296	QFIQEJVVQIDVJT-MRXNPFEDSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)C1	2321626579	GYLVQZGVERXPGV-AYDFFVQHSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)C2CCCCC2)c1	2327672328	CKQVLVXCCJPTIJ-UHFFFAOYSA-N	244.378	4.881	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H](C)c1ccc(C)cc1	2328265057	HQVZJMSGJBOZFP-CABCVRRESA-N	246.394	4.884	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1C[C@@H](C)CC(C)(C)C1	19230558	JGPJPGITHDMVJO-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(C)cc1F	20371201	BTXOZFXRFQFRFL-LBPRGKRZSA-N	223.335	4.515	0	10	BJAE	
CCCN[C@H](c1ccc(C)c(C)c1)C1CCCC1	35572903	XOWYLEPBHQGEMH-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CCCCC2)cc1F	37213196	XSWHWZXRIFIOCP-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CCc1ccc(CC)c(C(=O)CC2CCCC2)c1	70440019	OKNDNVZFDYFZNQ-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@H](C)C1)C(C)(C)C	80422168	KGZFTQNMWDMEHT-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccc(C(C)(C)C)cc2)C1	80425966	FKPCKXREXARYFA-CJNGLKHVSA-N	245.410	4.975	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CCCC[C@H]1C(C)(C)C	87164184	JWYLVNXZCLVMJL-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C1CCC(C)CC1	103929753	QMKJRTDBLYVJJU-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC(=O)CC[C@H](CC)c1ccc(CC)cc1	107484567	ZNFWUUILPDWWDT-AWEZNQCLSA-N	232.367	4.502	0	10	BJAE	
CCCCCC[C@]1(N)CCCC[C@@H]1C(C)(C)C	109704394	RQOYBRKBJCRWSU-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)C2CCCCC2)cc1	109901820	GKSUPJKUOBQNAY-CABCVRRESA-N	245.410	4.614	0	10	BJAE	
CCC(=O)c1ccccc1SC1CCCCC1	122756651	FKDHTJZEGDCFDQ-UHFFFAOYSA-N	248.391	4.704	0	10	BJAE	
CCCC[C@H](NCCC)C1(CC)CCCC1	124726518	IASFVCCDNZIIPG-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@H](c1ccc(C2CCC2)cc1)C(C)C	133135263	GGIWSGLQBVEMKX-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc(N[C@H]2CCC(C)(C)C[C@@H]2C)c(C)c1	155797634	MBMULGCWHKZBKB-HOCLYGCPSA-N	245.410	4.930	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1cccc(C)c1C	163523381	ITIVOVVUYMALEA-MRXNPFEDSA-N	233.399	4.520	0	10	BJAE	
Cc1ccc(C=O)c(-c2ccc3ccccc3c2)c1	164180420	PTRSIFOPMUGYGU-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C1CCCCC1	165814189	OMTBKEDPEHOSEM-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
N[C@H](C1CCCCCCC1)C1CCCCCC1	167827493	CWBNZKNQANVSPV-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)C1=CCCCCC1	203425421	MFOPFJVYMBMSJV-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1c(C)cccc1C	215913854	CGGWRSUDRGMEOA-CVEARBPZSA-N	248.410	4.943	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1C	220568958	WIXBAGNIWRYZIA-DUVNUKRYSA-N	231.383	4.540	0	10	BJAE	
Cc1cccc(-c2cccc(-c3ccccc3)n2)c1	222157547	GHVQPIVUGCQFNW-UHFFFAOYSA-N	245.325	4.724	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@@H]3CC=C[C@@H]32)cc1	224394144	MZJFTGGZGNKDEF-ZFZWDLNGSA-N	241.378	4.577	0	10	BJAE	
Cc1ccc(C)c([C@H](N)[C@H]2CCCCC2(C)C)c1	226543754	NLBBJUDWLSEUIF-CVEARBPZSA-N	245.410	4.520	0	10	BJAE	
Clc1ccsc1[C@H]1CCc2ccccc2N1	229948324	XCPQLASGNJNWKA-GFCCVEGCSA-N	249.766	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2ccc(F)cc2N)cc1	232217185	XRLFVDKHTDEJKG-LLVKDONJSA-N	243.325	4.588	0	10	BJAE	
CCC/C=C/[C@H](CCC)Nc1ccccc1	238217406	JRZFBQIKQDTVAO-OIOXUXFSSA-N	217.356	4.624	0	10	BJAE	
CCCNCC/C=C(\C)[C@@H]1CCCC[C@H]1CC	249678242	ODALLTKJLNHZTQ-MMJTVPDGSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1ccc(Cl)cc1	300909051	RQWHYOOYKFJTTN-CYBMUJFWSA-N	240.774	4.590	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](O)(CCCC(C)(C)C)C1	305915962	KFDIMHXWFMPFLJ-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C)cc([C@](C)(O)C[C@@H](C)CC(C)C)c1	305994771	UEIAHEDBYFHGMY-DOTOQJQBSA-N	248.410	4.583	0	10	BJAE	
CCc1c(Cl)sc2cc(Cl)ccc12	306531822	AVISKZPABYDIEF-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CSc1cc(Cl)c(C)c2sccc12	307129176	FMJHGGLQWJTNPI-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NC)c1cccc(C)c1	308042141	CAGYZASTAIZZGZ-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)c1ccsc1C	308060133	ROYFXVVRVYMDKY-JSGCOSHPSA-N	239.428	4.519	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1cc(C)ccc1C	308100334	DJBABMNILKVHNF-AWEZNQCLSA-N	232.367	4.558	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1CCC[C@H](C)C1	309486400	YDXYLKYKBDYZKT-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC1CCC(C)(C)CC1)C(C)C	310141121	NBWOFQYJNZLXJS-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CC2CCC1CC2	310354470	RLUOVSYLZOVJLF-LMPOIIKSSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCC(C)C)CC1CCC(C)CC1	310428317	POOJEKISJDRICX-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](N[C@H]1CCC(C)(C)C1)c1cccc(C)c1	310613983	ADPHHIQIAUXNHF-JKSUJKDBSA-N	245.410	4.614	0	10	BJAE	
CCCNC[C@]1(CC(C)C)CCC[C@@H](CC)C1	319137244	FLYLYXPSAZHFAZ-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]([C@H](C)[C@@H](C)CC)C1	319933158	NWWHZRFGVSMWIB-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C/C=C\CCNC(C)(C)C)C1	379899806	HFHSBQLPENIERE-JGUVHBTRSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C(=O)C(C)(C)C(C)(C)C)cc1C	379975158	HRLOVZFKQLVJOJ-UHFFFAOYSA-N	232.367	4.558	0	10	BJAE	
CCN[C@H](C)C[C@H](C)C[C@H](C)C1CCCCC1	380036278	QNXUVADRRIKJPN-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
Cc1cc(OCCCCCC(C)C)ccc1F	383332931	ZVTVCEVPICNLKM-UHFFFAOYSA-N	238.346	4.729	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)CC1(C)CCCC1	383624061	VWUVLVFVBHWVRD-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CCCCC1(C)C	384110605	DIQWVCFDUYVYOL-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@@H](C)CC(C)(C)C)CC(C)(C)C1	384500144	OYIZPRCEPNVTTH-HZSPNIEDSA-N	239.447	4.616	0	10	BJAE	
CCCc1ccccc1N[C@H](C)CC(C)(C)C	384868011	IBSAKPQUJGQJQO-CYBMUJFWSA-N	233.399	4.876	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@H](C)C(C)C	385824598	SDGUJDVTBXMKGT-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](N[C@@H](C)c1ccccc1C)C1CCCC1	387596543	UWSWCKQPTYLIHY-WMLDXEAASA-N	245.410	4.614	0	10	BJAE	
Cc1cccc(F)c1NCC1(C)CCCCC1	394562659	MSNJLXGQIJUVCX-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CC1(C)CC(Nc2ccc(Cl)cc2Cl)C1	395300978	QWKIPAYEIBPBDI-UHFFFAOYSA-N	244.165	4.594	0	10	BJAE	
COc1c(C(F)F)sc2cccc(Cl)c12	396179493	CTNGDVRKMSJQJS-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCOc1c(Cl)sc2cccc(CC)c12	396195224	VQPUBHFEVIZUFD-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1ccc2c(F)c(C(F)F)sc2c1	396202779	TVPALQLIBOHCOK-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCOc1csc2cc(C(F)F)c(C)cc12	396235209	FSTITNGOUAYTFY-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1csc2cc(C(F)F)cc(C)c12	396405402	LAOVUAVRIFRVSI-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC[C@H](NC(C)(C)CC(C)(C)C)[C@@H]1CC1(C)C	397671425	JERLNLQBCQWLDH-STQMWFEESA-N	239.447	4.616	0	10	BJAE	
C[C@]1(Nc2ccc3ccccc3c2)CC=CCC1	398366269	NSYOWNWKUJYEFE-KRWDZBQOSA-N	237.346	4.751	0	10	BJAE	
O[C@H](CCC1CCC1)c1cccc2ccsc12	398810177	WIZVJAFRYXPIIY-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(OCCC2CCC2)cc1	398893917	FQEOQCVDHMEXMO-ZDUSSCGKSA-N	232.367	4.769	0	10	BJAE	
CCCc1ccc(NCCC(C)(C)C2CC2)cc1	406111441	NBWKPVHUDUOTEW-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
Cc1ccc(Cl)c2nc(Cl)cc(Cl)c12	606291685	PRKPDIZYBGBTJT-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCC[C@H](N[C@H](C)CC1CCCCC1)C1CC1	689775668	APOKZFVIYPJZEQ-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CCCC2(CC2)C1	695682020	XZIHOHYWTAGKSJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@@H]1CCCC2(CC2)C1	695955120	HZUPOSGTRQVAHX-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](C[C@H](C)C(C)(C)C)NC	696549698	IDDNEDADHGBEHF-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H](C)C1CCC1	703041758	YQVHCFDRCLJPOB-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@](N)(CCC(C)(C)CC)C1CCC1	705382585	KUBFTUBBLZFBRZ-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CN[C@@H](CC[C@@H](C)CC(C)(C)C)c1ccccc1	709101762	CVQFYTIYFKWDCG-ZBFHGGJFSA-N	247.426	4.800	0	10	BJAE	
Cc1cc(NC[C@H](C)CC(C)(C)C)ccc1F	709103022	ONZXRBXZIOGJBJ-LLVKDONJSA-N	237.362	4.618	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@H](C)CC2CCCC2)c1	709754726	CTJMCLXXXVKHFV-HUUCEWRRSA-N	245.410	4.614	0	10	BJAE	
CCCc1ccccc1N[C@@H]1C[C@H]2CC[C@H](C2)C1	711074289	YOCNDFALQJWQSY-FOLVSLTJSA-N	243.394	4.630	0	10	BJAE	
CC(C)CNC[C@H](C)[C@H](C)C[C@@H](C)C(C)(C)C	711125490	HYUIIHIHGQQFSF-QLFBSQMISA-N	241.463	4.577	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@@H](C)C1CCC1)C(C)(C)C	711193410	HNAVJMYFWARURD-BPLDGKMQSA-N	239.447	4.602	0	10	BJAE	
CCC[C@](O)(CC(C)(C)C(C)C)C(C)(C)C	713230605	SUVMFDUJGFSFEF-HNNXBMFYSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@@H]1c2ccccc2[C@H](C(C)C)[C@@H]1CC	714354498	AVKBBZSIFOLRPD-XKQJLSEDSA-N	245.410	4.507	0	10	BJAE	
CC(C)CCCCCCNCCCC(C)(F)F	718272119	RNKFMUYOMQXHNQ-UHFFFAOYSA-N	249.389	4.618	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](CCC(C)=C(C)C)NC	718509606	WMTKSEHGCKTCPU-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CC[C@@H]2CCC[C@@H]21	722074359	HUJXQICPYWWKGQ-JLJPHGGASA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	723109037	MMLBQOIYPSUXHB-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(OC2CCCCC2)c(Cl)c1	829086240	PNFLIGDWWQVDEJ-UHFFFAOYSA-N	238.758	4.614	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1NCC(C)(C)C1=CCCC1	1462307925	BSHHJYVGQDDKMV-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CCNC1CCCCCC1	1474004215	FGRKNEABEQFSGY-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C1=C[C@H](SCC2C[C@@H]3C[C@H]3C2)CCCCC1	1559446180	YHNACASKGMVZIA-KFWWJZLASA-N	236.424	4.655	0	10	BJAE	
CCN(C[C@H]1CCCC[C@H]1C)c1cccc(C)c1	1615919640	CSUNKWBPPOUFSK-HZPDHXFCSA-N	245.410	4.648	0	10	BJAE	
C1CCC(CCCSC2CCCC2)C1	1652424511	BYGNGAMHVFJLPU-UHFFFAOYSA-N	212.402	4.633	0	10	BJAE	
CCCCCCc1nc2c(s1)CCCCC2	1901881556	RHVNASWSSUQFLF-UHFFFAOYSA-N	237.412	4.535	0	10	BJAE	
C[C@@H]1CCC[C@@H]1c1nc([C@@H]2CC2(C)C)cs1	1901913143	WOURTBLTPNHPID-VWYCJHECSA-N	235.396	4.560	0	10	BJAE	
CC=CCCCc1c(Cl)cccc1Cl	1905217251	FWFFECCLOWMZAG-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CC)CCC(C)C	1905384669	XVFRBGRAVVTQPM-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1sccc1CC	1905442781	FOJZCTVTAJKVBL-YPMHNXCESA-N	239.428	4.527	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1C)C(CC)(CC)CC	1909554571	JAUSAONPXNOYDC-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCNCC(=C[C@]1(C)C[C@H]1C)C1CCCCC1	1911929704	WROLKBFNBQKQBM-PBHICJAKSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1CC2(CCCC2)C1	1912604015	IOWBNZKFSQHFLA-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@@H](C)CC1(N)CC2(CCCCC2)C1	1912720111	BNNRNKYMVPAWJB-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](Cn1ccnc1C1CCCC1)CC(C)(C)C	1923582343	FNGZGIBLENUKBU-CYBMUJFWSA-N	248.414	4.613	0	10	BJAE	
CC(C)NC[C@@](C)(CC(C)(C)C)C1CCCC1	1924119025	NAELSVHTUYTELH-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@@H]2C=CCCCC2)[C@@H]1C	1925946621	VFNBSHNAHBOCDW-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@@H](C)C1CCCCC1	1926368671	WGKSUAVTMBTLHK-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1csc(Cl)c1	1928725741	YVCPBLGXMCRFLN-BXKDBHETSA-N	246.803	4.507	0	10	BJAE	
CC(C)CCC[C@H](O)CC1(C)CCCCC1	1935622054	CFUCCGMKMPXZSE-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C(=O)CCCCCC(C)C)C(C)C	1936212533	NVFZRJAGVOPWOM-CQSZACIVSA-N	226.404	4.844	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@H](CC(C)C)C(C)C	1936212608	OTBCMSKFEFNLNP-MELADBBJSA-N	226.404	4.556	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H](C)CCC(C)C	1937162827	FDJAZQQOGULRML-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCCC1(CN)CCCCCC1	1940872689	OHOMWIQWIDNYNY-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
CCCc1ccc(NCCCC2(C)CC2)cc1	1940881911	HUWBZGQYNKVCLB-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C(C)(C)C1CC1	1941138697	CKDMPZPVBWBLBW-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(Cl)c(NCC2CCC=CCC2)c1	1941822406	XTZRVCPIAAUEEI-UHFFFAOYSA-N	249.785	4.807	0	10	BJAE	
CCC(C)(C)CC[C@H](CNC(C)C)C1CCC1	1942094209	BBANOGLWMPZOJU-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)CC1CCCCC1	1942800592	DWIIMQYQJDFOQN-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)C(C)(C)C1CCCCC1	1944661730	VSQHIFRWQMMDMY-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@H]1CCC(C)(C)C1	1945591823	KUMZEGYIQAHNHO-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CC[C@H]2CC[C@H]1C2	1947124721	VHULXLVCBQMXIB-XUJVJEKNSA-N	249.785	4.639	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(O)CCCCCC1CC1	1947525931	PSWKGVLQNBKPOW-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC(=O)c1cccc(C2CC2)c1	1948285411	JSQHHJMYEGQFBD-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCC1CCC(N[C@@H](C)[C@@H](C)CC(C)C)CC1	1948328677	VQXAGXQJFKGSQK-FXQLRMTLSA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C1=CCCCCCC1	1948331340	GFSYWHZFRNCURY-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H](N)C1(C)CCCCCC1	1949061129	WFGSTHKGSXVQFT-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CC1CC(C)(C)C1	1949737776	HVAOCPVUOOBRMY-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]([C@@H](C)[C@@H](C)CC)C1(CC)CCC1	1951239464	REXKTWZZALWVHG-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NC[C@H]2CCCC3(CC3)C2)c(C)c1	1968254729	LRKWWHHXZDBPRW-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
Cc1ccc(OCC2CC3(C2)CC(C)(C)C3)cc1	1968269609	CRMNTQJVIURXLB-UHFFFAOYSA-N	244.378	4.590	0	10	BJAE	
CC[C@H](Nc1cc(C)cc(F)c1)C1CCCCC1	1968596811	VVHNHDAMAKAXEJ-INIZCTEOSA-N	249.373	4.905	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1C[C@H]2CC[C@H]1C2	1968598502	YYYAFYCXWNIUMD-QRTARXTBSA-N	243.394	4.719	0	10	BJAE	
CC(C)Sc1ccccc1N[C@H](C)CC1CC1	1970341342	AVLDBPSKAGEKQG-GFCCVEGCSA-N	249.423	4.788	0	10	BJAE	
C[C@@H](NC1CCC(C2CCC2)CC1)C1(C)CCC1	1973037591	DBPHSVSFZOCFOL-IUDNXUCKSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C1(C)CCCCC1	1975572364	BIIAJVFEAQUZDI-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@@H](NCC)C(C)(C)CCC	1976011759	ZAXXLFJRAOIAFU-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C)CC(C)(C)C	1986940719	ZLYZSCUCHCULAP-KBPBESRZSA-N	227.436	4.616	0	10	BJAE	
CCC[C@](C)(N)C[C@H]1CC[C@H](CCC)CC1	1989813414	BODXFABXKGZCHE-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1CC1(C)C	1995214643	NPKUSVBCRSFTKS-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1csc(C)c1	1995262042	KBNOIXFEJUENKQ-BXUZGUMPSA-N	239.428	4.663	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)C[C@@H]1CCC=CCCC1	1999984700	BIDNZMXLVLTJLZ-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)C[C@@H](C)C1CC1	2000511531	QKMJRGOMWJEJOT-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNC)C[C@H]1C=CCCCC1	2000519687	YLVWFQKVVTWMCQ-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1CC12CCCCC2	2001260137	SRYLRLLXLPSYKR-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
N[C@@H](CC[C@H]1CCC=CCCC1)c1cccs1	2003686826	YTXRYXLQLRIBGY-KBPBESRZSA-N	249.423	4.665	0	10	BJAE	
CCCC(CCC)[C@@H]1NCC12CCCCCC2	2004724588	CJSTXKSWJXWUHM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H]1CCCCC12CCC2	2005599539	ICEGTXVINOUVPD-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC(C)=C1C)c1cccs1	2006911779	DBYGQHZGDDSVOX-KGLIPLIRSA-N	249.423	4.678	0	10	BJAE	
CCC1CC(C[C@H]2CCCCCCC[C@H]2O)C1	2007811247	YGTDHWYSDKZTQD-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H]1CCC[C@@H](CC)C1	2009593477	BHNQITJVWRTNNW-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H]1NCC[C@@H]1C1(C)CCCCCC1	2009773122	VUERDLXRASYJEN-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC)C1=CC[C@H](C(C)(C)C)CC1	2010715593	UIGNBTDZYAJECN-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@@H](CC)CCCC	2010995581	RBDDBSZTKGQECD-JKSUJKDBSA-N	237.431	4.692	0	10	BJAE	
Cc1cccc(C)c1CCC1CC(=C2CC2)C1	2011088008	CVCLTSAJPJZSIH-UHFFFAOYSA-N	226.363	4.736	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@@H](C)C1CCC1)NC	2011186590	LCHLHFMOTIOXQM-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CC(C)(C)C[C@@H]1C	2013323191	UQCZIMJKQMIBRQ-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC(C(C)C)C(C)C	2015277919	KNAIGSCYIGKELX-GOEBONIOSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(CCC1=C[C@H](O)CCCC1)C(C)C	2015359267	CLVHSPZODJUAOS-OAHLLOKOSA-N	238.415	4.556	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCC[C@H]2CC)CCC1	2015642592	RWBQZDPUOLINEG-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)CCC=C(C)C	2016150094	PUSSXQNPASMUDY-OAGGEKHMSA-N	237.431	4.680	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1CC[C@H](CC)CC1	2017771081	JZUCMADKFFQKHO-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](C)CN(C)C1CC(CC(C)(C)C)C1	2019302403	JVUQCMRGJWCFAV-WLYUNCDWSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC[C@H](C)N1C[C@@H](C(C)C)CC[C@H]1C	2019409719	UDRYAMZJPOMOJJ-XHSDSOJGSA-N	239.447	4.568	0	10	BJAE	
CC[C@@H]1CC=C([C@H]2CCCC(C)(C)C2=O)CC1	2020389870	ZVLQDHKYKDBICM-TZMCWYRMSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CCC=CCCC2)C1=O	2023994828	WOSXKAGXLALOIL-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@H]1C[C@H]1C(C)C	2026170687	ROJRDZFJMCBDHA-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CC1(CC[C@@H](N)c2cccc(C3CCC3)c2)CC1	2027734813	GEOHRYMVVILMFC-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC(C)(CC(=O)c1cccc(C2CC2)c1)C1CC1	2028558771	ZTFMXOMVOXXYJM-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
C[C@H](CC1CCC1)NC[C@]12CCCC[C@@H]1CCC2	2031810063	WDOBQKVAMCRHAY-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@@H]1CC12CCCC2	2036093702	ATRWHHYVVOUGTQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](N)c1ccc(C2CCC2)cc1	2037093258	ZMNLXRREGKVYRD-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1cc(C)c(C)cc1C	2037139099	WNIGFXAZHXFRBW-MRXNPFEDSA-N	247.426	4.828	0	10	BJAE	
CCC[C@@](N)(CC1CC2(CCC2)C1)[C@@H]1CC1(C)C	2038079383	VBFXJORBQSUDQE-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@@H]1CC12CCCCC2	2039078882	MCNSBJTZDQQZFP-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CCC1=CCCCC1	2039431458	DPRFUWDAKPMOFZ-XIRDDKMYSA-N	247.426	4.587	0	10	BJAE	
CCC1(C[C@@]2(CNC(C)C)CC=CCC2)CCC1	2042089423	PARMTFJFLCCNRL-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CCCCC23CCCCC3)C1	2045523088	UZSWBNXOJYMJFE-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
Cc1ccccc1N(C)C[C@@H]1CCC=CCCC1	2046558237	MIFUABZJKIJIKC-MRXNPFEDSA-N	243.394	4.568	0	10	BJAE	
CCCCN(C[C@H]1C=CCCC1)c1ccccc1	2046579440	PWFDLCRCDFTHGR-INIZCTEOSA-N	243.394	4.649	0	10	BJAE	
N[C@@]1(CC2=CCCC2)CCCCC12CCCCC2	2047562180	SPFKLDZGAXTNIZ-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@H]1CCC12CCC2	2047934042	YKXQHKDSKUEBLC-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC([C@H](C)NC2CCC=CCC2)CC1	2049419293	YEZQJPAKCPIPNO-FHERZECASA-N	249.442	4.680	0	10	BJAE	
C[C@H](N[C@@H](C)[C@H]1CCCC(C)(C)C1)c1ccoc1	2049539481	HCQRHCYPTAECKO-IHRRRGAJSA-N	249.398	4.535	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@H]3C[C@H]3CC2)CCC1	2049675612	NFPLXPIHZIOLEI-QLPKVWCKSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC(C)(C)C1)[C@@]1(C)C=CCC1	2049999169	BCDIUKVCZCJSJW-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C(=O)CC=C(C)C)c1ccccc1	2051381648	VXHXOWFDFPQGKM-YOEHRIQHSA-N	244.378	4.742	0	10	BJAE	
C1CCCC(CCN[C@@H]2CCCCC23CC3)CC1	2053312725	YHQDFZNXDFBJPM-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CCCCC23CC3)C1	2053353641	ASZVKEHAAPCJQD-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](c2ccc(C(C)C)cc2)C1	2055140242	VZPCBUWLMFSLNA-BBRMVZONSA-N	244.378	4.673	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H](C)c2ccccc2C)CCC1	2055538288	AUKOOXJQAOOPGA-DOTOQJQBSA-N	243.394	4.535	0	10	BJAE	
CC[C@H](C)CC1(CNC2CC2)CCC2(CC2)CC1	2056524312	UGLISSWJCDIXQE-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@@H](O)C2(C)CCC(C)CC2)c1C	2056558765	KGBQGWGPGUJFQJ-PTXATLKXSA-N	246.394	4.553	0	10	BJAE	
CCC1CC(CN(CC(C)C)c2ccccc2)C1	2056758094	CGXUABCKIIUGCQ-UHFFFAOYSA-N	245.410	4.585	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C[C@@H](C)C2CC2)cc1	2057364857	MXXUNWMIPPREMH-OGHNNQOOSA-N	245.410	4.636	0	10	BJAE	
CCCC1CC(N[C@@H]2C[C@H]3CCCC[C@@]3(C)C2)C1	2059394587	YCJQOVOMLASANH-AEFXTWNNSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)[C@](O)(C2=CC[C@@H](C(C)C)CC2)CCC1	2061083758	FJYVSWIZMSWSMU-WBVHZDCISA-N	248.410	4.620	0	10	BJAE	
CN[C@@H](CC1CCC1)C1=CC[C@@H](C(C)(C)C)CC1	2061093976	BVFVDJVOFYRJKN-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@@H](CC2CC(C)(C)C2)NC)CC1	2061138817	AJGCVPGQJXBMQP-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@H]1CC1(C)C)C1=CCC(C)(C)CC1	2061143964	NUEWIJUXJDLBOF-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)C2(C(C)C)CCC2)CC1	2061145958	CQACITOWYWRCDS-ZBFHGGJFSA-N	249.442	4.523	0	10	BJAE	
C[C@@H](NCC[C@@]12CCC[C@H]1C2)C1CCCCCC1	2061572953	UUENVNRWMPCYBR-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C(=O)CC1CC(=C2CC2)C1)C(C)C	2061696435	PKDAYARCWMLJJO-INIZCTEOSA-N	248.410	4.764	0	10	BJAE	
CN(CCC1CCCC1)[C@H]1CCCCCC12CC2	2062198485	RQNFITWGEFBKGR-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CCCCCCN1CC12CCC(CC1)CC2	2065299254	ZAZFLQZQZRYVPW-GTPINHCMSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@@]3(C)C[C@H]23)CC1	2065664114	LVPCPXMYVKKVMV-JJTUDDRGSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@H](C)c1ccccc1	2065987572	LNYOEJZKKJMWKU-DOTOQJQBSA-N	248.410	4.758	0	10	BJAE	
CC(C)[C@H]1CC=C([C@](C)(N)C2(C)CCCC2)CC1	2067507029	YDOIGDAEFMHJLP-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C[C@H]1CC12CCC2	2069183545	TYDLPCUVXWHSTG-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@@H]2CC23CCC3)CCCC1	2069196466	HXGWYLGMERBNOL-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CC[C@H]3C[C@H]3CC2)CCC1	2069336459	ACJOGOLSQMUWIT-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C1(CC2CC2)CC1	2069512785	FXWKBHSLNATFFG-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C1(CC2CCC2)CC1	2069564512	TUENOOTUMLAWIY-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@@H]1CCCC12CCC2	2070412895	GWDUFWQPCJOLKR-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(CN[C@@H]2CCC23CCCC3)CCC1	2071933078	JMOLIOXKDJJKAS-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](O)C[C@H]2CC[C@H](C)CC2)c1C	2072670074	VFPCDRLQQDMCGJ-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
CCCC1CCC(CNC[C@@H]2C=CCCC2)CC1	2072681318	HOFHQIGFEPVECI-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@]23CCCC[C@@H]2C3)CC1	2074023428	CJLJGQMOEHQDFA-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@]2(C)CC=CCC2)CC1	2074644085	NAPONSDJZLIRKV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@H]1C[C@@H]1C1CCCCCC1	2079481026	AWXTTWJDOWNZCH-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@@H]1C1CCCC1	2079491866	MLLMNRQMRSETMD-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](O)c1ccccc1C(C)C	2079560176	BKUPRFVBRNDYQE-KEYYUXOJSA-N	246.394	4.670	0	10	BJAE	
C[C@](N)(C[C@H]1C[C@@H]1C1CCCC1)C1CCCCC1	2079868985	AXRZYRJSJUAKPP-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H]2CCC[C@H](C)C2)c1	2082959019	IPHHWJSHSCVEHO-XHDPSFHLSA-N	244.378	4.621	0	10	BJAE	
CCC[C@](C)(CN)CC1CC2(C1)CC1(CCC1)C2	2083617347	LJVJQYGTAYRQHC-HNNXBMFYSA-N	249.442	4.502	0	10	BJAE	
c1cc(-c2ccc3c(c2)CCCN3)cc(C2CC2)c1	2088947315	HEEOZOGVRPLHBR-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CC1(C)CC([C@@H](O)CCCCCCC2CC2)C1	2213580714	NWAUFBINSJBUQH-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCCCCCC1CC1	2213595451	LWXKSIGHLPDQOY-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
Clc1cccc(CCC=Cc2ccccc2)c1	2213825548	VJKPEOZUNHUZMY-UHFFFAOYSA-N	242.749	4.986	0	10	BJAE	
CCN(CCCCC1CC1)C1CCCCCC1	2214552576	MSXWTANHSHFKLM-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
C[C@@H](SCCCCC1CC1)c1ccc(N)cc1	2214561579	YPPTWOYWJNKAFG-GFCCVEGCSA-N	249.423	4.643	0	10	BJAE	
CC(C)=CC[C@@H](N)CCCCCCCC1CC1	2216878820	WYPFGFHFYRFNTJ-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CC[C@H](C)NCC1([C@H](C)CC)CC(C)(CC)C1	2217141265	SFDOUSAQUCIDNX-QVOMUQBLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN(CC2(C)CCCC2)C1	2218144682	UHWRTLCKDMXLRA-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C1[C@H]2CCCC[C@H]12	2218724041	FHONAKCDGBOBHX-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
Cc1cc([C@H](N)CCCCCCC2CC2)oc1C	2218726998	QKBVVQVQFHEAJL-OAHLLOKOSA-N	249.398	4.647	0	10	BJAE	
C[C@@H]1CC[C@@H]1C(=O)C[C@H]1C[C@H]1C1CCCCCC1	2220539109	ITAIVQUNVRTZCN-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@@H]1CC)CC1=CCCCC1	2220881949	ZYXCYXSHYXKJJN-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@H]1C[C@@H]1C1CCCCCC1	2220961193	PAKTWPBSQUCGQU-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)CC1	2221643077	LYQMTHLZNXJNHL-HWMZRRJGSA-N	248.410	4.764	0	10	BJAE	
CC1=C[C@@H](C)CN(CCCCCCCC2CC2)C1	2223112324	CISDDOPYHVHRNC-OAHLLOKOSA-N	249.442	4.635	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CC[C@@H]2C[C@@H]2C1	2223154313	ITZVOEUATWHEHS-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@H](C)c1ccc(C)cc1	2223963070	DATXSZGWGDFLQJ-FRFSOERESA-N	247.426	4.513	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1ccc2occc2c1	2224191413	SJXZMOAETRZJEB-MLGOLLRUSA-N	246.350	4.539	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)C1)[C@@H](C)CCC	2246454141	LIYMKYWZAKEHDY-PYBGIAKNSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@H](N)CC[C@@H]2CCC[C@@H](C)C2)CCC1	2246663950	NXUBABCGSUUBMC-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC1(C)C)C(CC)CC	2247308628	SCYSILUIEUIRGJ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2CCC2(C)C)cc1	2247446342	IFCSVNYAWJAETK-CQSZACIVSA-N	232.367	4.625	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cc(C)c(C)c(C)c1	2249491513	SAEUZYKGROWBLW-GDBMZVCRSA-N	231.383	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C(=O)O)C(C)C	2250496503	SGPPRMFWNBJOLI-UONOGXRCSA-N	242.403	4.586	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(F)C(C)(C)N	2250521314	AOSCVDAOIWTJIO-ZFWWWQNUSA-N	245.426	4.695	0	10	BJAE	
C[C@H](CC(=O)[C@]12CCCC[C@H]1CC2)C(C)(C)C	2251130422	ZVHFUVLQAYORPD-WWGRRREGSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@]12CCCC[C@H]1CC2	2251217197	FWMJRYDYPJDVNV-HRCADAONSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](CCC1CC1)C[C@@H]1CCCCC12CC2	2253826541	YFVKYVSUZROQES-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc2c1N[C@H](CCC[C@@H]1C[C@H]1C)CC2	2253873856	LUHRJSQXUHRQCW-FVQBIDKESA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)C2CC3(CCC3)C2)C1	2253939065	PTRKOQJVOHBUJY-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)CC1CC2(CCCC2)C1	2254112366	DZLAEIJDCWCDLE-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@@]12CCCC[C@@H]1CCC2	2254508480	BBUQDNJZYOCOEG-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H]1CCc2ccccc2N1	2254580495	PFGZEBWIRLOPMU-KBMXLJTQSA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1C[C@@H]2CCCC[C@H]21	2254586937	YSKZPSUYRFSBJC-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC12CCC2)C1CCCC1	2255029095	QJDWFDWQVBHVEV-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC1([C@@H](N)CC2=CCCCC2)CCCC1	2255063595	LUWBMBGGGWQOLI-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CCC1CCC(NCC[C@@H]2CCCC23CC3)CC1	2255239482	VGTWPHDBJQQQRM-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1[C@H]2CCCC[C@H]21	2257315669	MVJAUNWQAGSFGJ-NMNMXBMNSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@]12CCC[C@H]1CC2	2260653098	WVSOMRPPBKTJSQ-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@]12CCC[C@@H]1CC2	2260671770	MYVGVBKTQWKYGJ-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CCC=CC[C@H](C)c1cccc(Cl)c1	2296091123	OABMNFGOOAAHBF-NSHDSACASA-N	208.732	4.800	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCC[C@@H](CC)C1	2300705704	HERVTJLYGWSCAF-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCCCC12CCC2	2300908025	YTPLQXAYQDZIPZ-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCNC[C@H](C)[C@@H](C)CC1CCCCCC1	2301237133	TUUBMMOUSUGDAT-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@@H](CC2CCCCCC2)C1	2301247894	UWXBXJKPTIYTAG-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](N)CCCC1=CCCCC1	2302354793	WBASRDLCRPOPJN-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H]1CCC(C)(C)C1	2302679378	LOTIDXGOVIXLDI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](N)CC[C@@H]1CC[C@H]1C1CC1	2303130339	XBBNDWHXJVHECT-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)NC[C@H]1CC[C@H]1C(C)(C)C	2303462171	PJLOWDRFGAHDQJ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303478591	RVBZGNUGZUKILK-MELADBBJSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@H](C)C(C)(C)C)CC1	2303526527	SIPNGTHEWHATTO-RRFJBIMHSA-N	237.431	4.523	0	10	BJAE	
CCCC1(C[C@]2(N)CCC(C)=C(C)C2)CCC1	2303581047	ZLXANRFNVYGPSE-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCCC(=O)CCc1cccc(C(C)C)c1	2303746810	USEWOUFWXSPITN-UHFFFAOYSA-N	232.367	4.502	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2C=CCCC2)C1	2304434107	HMPMOTZLUKTCDF-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CC(C)c1cccc(NCCCC2CC2)c1F	2307552768	YDJQMYLUCFJCRK-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNCC)CC=CCC1	2307746224	CAXADPWQEGFQCL-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1ccc(C)cc1C	2307905748	ZBGUZMTYIFOJEF-ZBFHGGJFSA-N	233.399	4.520	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	2308397650	UWJHTSVDEYLACT-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	2308399538	BPNNPFBXWCIGMY-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309180690	HZBQYDFVJPRMJH-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@H]1C)[C@@]1(C)C=CCC1	2310430954	FLOKEISFHVDGQB-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CC1)[C@]1(C)C=CCCC1	2313607946	HESZFJSXGINRGX-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](NC)c1ccccc1C1CC1	2316502164	JTYBPOBAWLDFSL-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC=CC[C@@H](NCCC)C1CC2(C1)CC(C)(C)C2	2316511094	YVCVZYCFNLUJNW-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1CCC2(CC2)C1	2316511995	YKNOPXAHONNBCE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316875385	VZAFGRWDHJACQC-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CN(CC1CCCCCC1)[C@@H]1CCCC12CCC2	2316887083	ZQPYIOAKRRYMJX-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@H]1CC2	2316946028	PEADJAPURIACMR-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C)c(C[C@H](C)CC)c1	2317099840	PXPPJLUPCPWCRN-HIFRSBDPSA-N	247.426	4.644	0	10	BJAE	
CCCC[C@](C)(CN)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317115704	YFWNTNHOIQKCNA-NCOADZHNSA-N	249.442	4.524	0	10	BJAE	
CCCCC[C@H](CC)Nc1cccc(OC)c1C	2318394730	CMBYRYNPAAIDJE-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CC(C)(CNCCCC1=CCCCC1)C1CCC1	2318579594	ICKDXEMALSYTBR-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCCC2=CCCCC2)C1	2318584040	WEHLGWABBGISEF-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CC(=CC=C[C@]1(C)CCCCN1)CCCC(C)C	2318819876	LTUJOEJSQSCYQT-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2C[C@H]2C2CCCC2)C1	2319127930	FFRIFEQFGFKBTD-VHDGCEQUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN(C)[C@@H]1C=CCCCCC1	2320019192	KOJAITPYAOVNHP-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@@H](CNCCC2=CCCCC2)CC1	2320372084	AUSSPVWTTZWMKF-KRWDZBQOSA-N	247.426	4.603	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@H]2CCC[C@H]2C)c1	2320572306	UBYVVAFUUKMBOQ-UKRRQHHQSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2321626982	IUCPSCGGAVEYMI-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)C[C@H]3CCCC[C@H]32)C1	2321646215	VJIRMBSOYGAWAJ-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1C[C@H]2CC[C@H]1NC2	2322464106	YBCDDGJGSPKNQC-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@](C)(O)Nc1ccc(C(C)C)cc1	2323924449	PBFJTEYEEMCMAX-INIZCTEOSA-N	249.398	4.511	0	10	BJAE	
CCCCCCc1ccc([C@@H](O)CC2CC2)cc1	2327898400	HWXGXXIPDBUVTH-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@H](C)CC(C)(C)C2)c1	19985191	UDKSZFJWUKXNQS-ZFWWWQNUSA-N	231.383	4.622	0	10	BJAE	
CCCCCCN[C@@H](CC(C)C)c1ccccc1	20554869	XVPHFMVCYRECNV-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC1CCCCCCC1	21801089	MTGYURQHTXXIFV-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CCC[C@@H](C)Nc1cc(C(C)(C)C)ccc1OC	36953817	WKURFBNTKXUIKO-GFCCVEGCSA-N	249.398	4.593	0	10	BJAE	
CSc1ccccc1NC1[C@H](C)CCC[C@H]1C	36957233	WUTJHFZQOLXMJC-VXGBXAGGSA-N	249.423	4.645	0	10	BJAE	
CCCCC[C@H](N[C@@H](C)C(C)C)c1ccccc1	37249762	XJIHASUNOVTELG-RDJZCZTQSA-N	247.426	4.942	0	10	BJAE	
CCC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1	54106787	GNNJGPCXDCHTHX-UHFFFAOYSA-N	248.709	4.501	0	10	BJAE	
CC1=C[C@@H]2C(=C(C)CCCC2(C)C)CC1	59778558	LCOSCMLXPAQCLQ-CQSZACIVSA-N	204.357	4.869	0	10	BJAE	in-vitro
Clc1ccc2cc(-c3ccccc3)ccc2n1	70494146	GFIIUZVEPURIJI-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
Cc1ccc(C(C)C)cc1[C@@H](CCN)CC(C)C	76633251	AEHWWCXTAFWUHM-INIZCTEOSA-N	247.426	4.597	0	10	BJAE	
CCC1CCC([C@@]2(N)CCCC[C@H]2CC)CC1	85078590	MKIPIIKSYXFQSQ-GYTBAZASSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](N[C@@H](C)C2CCCCC2)CC1	86889882	HTLVSKJPKOQODG-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC(C)(C)CC1	86893895	NCEIZANGRWPOFL-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)[C@@H](C)CC	87399033	USXINQUXBJRAIE-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccc(Cl)c(Cl)c1Cl	90159937	GIEXQJPBBBSMBO-UHFFFAOYSA-N	223.530	4.770	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(C)cc1F	104015516	ALXXEFNWGMNYKE-ZDUSSCGKSA-N	237.362	4.762	0	10	BJAE	
Cc1ccc(C)c(NC2CCC(C(C)C)CC2)c1	109757932	MHOZKEWQVUEUNH-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
CCCc1ccc([C@H](C)NCCC(C)(C)C)cc1	123881111	WGHOVASNEAWJER-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCCCC(C)C	128147017	SFWGNECCLXCZGL-UHFFFAOYSA-N	234.383	4.933	0	10	BJAE	
CC(C)CCCCCCN[C@@H]1CCC(C)(C)C1	129253462	PPCHLIVTMSYWRS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CC1CCCCC1	148210446	FFPFBXXXDBYNMU-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2=CCCCC2)C1	161017742	BTTSKJZMQJQOSI-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1cc2ccccc2s1	162150832	WNNFJVWZLATBBV-WCQYABFASA-N	247.407	4.727	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@@H](C)CC(C)(C)C)c1	164142073	YGSAWIITRGDRCV-CQSZACIVSA-N	246.394	4.949	0	10	BJAE	
CCN[C@@H](C(CC)CC)[C@@H]1CCCCC1(C)C	226866554	NNDIBCVJVZDMHA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)c1cccc(C)c1	229299970	YGJQQBISQAJQBS-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CSc1ccccc1N[C@H]1CC(C)(C)C[C@H]1C	235072149	UKSKOHUPRPOPSE-YPMHNXCESA-N	249.423	4.645	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@@H]2CCC[C@@H](C)CC2)C1	235315504	OPIHICSIYNSUCN-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NC1CCCCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2	251701998	XLCJGOZXECBQNM-AESZEHBQSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc2ccc(C#N)c(-c3ccccc3)c2c1	260629441	PABZYSNDCWQOEZ-UHFFFAOYSA-N	243.309	4.687	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@H]2CCCCC2(C)C)C1	300287940	QCEPDPKJECNZMK-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C1=CCCCCCC1	302252842	CIVMLQYTBVQLMR-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](F)c1cccc2c1NCC2	302459890	YIYSJSUUVLGOLA-IUODEOHRSA-N	249.373	4.738	0	10	BJAE	
CC(C)c1cnc([C@@H]2CCCC(F)(F)C2)s1	304182024	WTSQVYJODWEQCE-SECBINFHSA-N	245.338	4.559	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)CCC1CCCCC1	305898072	SSZQDWPSOMIPSM-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCc1ccccc1N[C@@H]1/C=C/CCCCC1	306005615	OBSOVCQARWEBIL-KDHUCADRSA-N	229.367	4.550	0	10	BJAE	
CSc1cc(Cl)c(Cl)c2ccsc12	306878708	DENBJJCNQIQRLQ-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
Cc1ccc2scc(Cl)c2c1C(F)F	306897133	SBNFMTAPVBSHCO-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@H](CCC)CC(C)C	308049947	LDDZAYGRWOHQHN-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](C[C@@H](O)c1ccsc1Cl)C(C)(C)C	308355236	MAEGAXIJASGUFI-WCBMZHEXSA-N	246.803	4.507	0	10	BJAE	
CC[C@@H](CCC1CCCCC1)CNCC(C)C	310057976	BMBJVAYLJRTAEY-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(N[C@H](C)c2ccsc2)cc1C	310066714	SLZKGLZSUYMVJL-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CN[C@H](CC[C@@H](C)C1CCCCC1)CC(C)C	310378446	AMOAIXZLAYZKDN-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(CN)CCCCCC2)C1	310465350	ZGQLABZJPYORHD-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1ccc(C2CCC2)cc1	310614557	FIJIDDFRJUEHGS-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CC(C)C[C@@]1(CNC(C)(C)C)CCCC[C@H]1C	318715693	KDELNMBRTCYRGI-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@H](C)Oc1ccc(C(C)C)cc1	319638120	QAVHAGJQOMHMJK-OLZOCXBDSA-N	220.356	4.623	0	10	BJAE	
CCCCC1CCC([C@H](N)[C@H](C)C(C)C)CC1	319691165	WLYARABCDUMREA-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H]1C[C@@H](C)Nc2ccccc21	320056375	VPAHZUGBEXPBSP-BFHYXJOUSA-N	231.383	4.657	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](O)(CCC)C1CCC1	322372393	JRPBHPLCPYHYNO-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CC(C)CC[C@@H](C)NCC/C=C/c1ccccc1	322940040	PGXPXGGMBZLRCN-AYAUWGRQSA-N	245.410	4.504	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC/C=C\c1ccccc1	324286610	OCYRQJNULLIVJW-LOSYYMKXSA-N	245.410	4.634	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCCCCC(C)C)C1	383290417	QUTCFPJBSIAZHP-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H]1CCCC[C@H]1C	384499926	CAUOGBCORQGORI-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC(=O)CCC1=CCCCC1	385192160	ORLVTVJMHSBGFF-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CC1CCC(C[C@@H](C)[C@@H](O)c2ccccc2)CC1	386849407	SNSLSSJFNSPHPZ-CLKYRPBMSA-N	246.394	4.573	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)[C@@H]2C[C@H]2CC)cc1	387683290	RREOXJKAQRCXHH-NSNWQYSKSA-N	245.410	4.507	0	10	BJAE	
CC1=CCCC=CCCC=CCCC=C1	389516057	SCAORZLGXWXKRT-UHFFFAOYSA-N	202.341	4.956	0	10	BJAE	
C/C=C\Cn1ccc2c(Cl)cc(Cl)cc21	389667771	QPWJJARWULMBOU-IHWYPQMZSA-N	240.133	4.524	0	10	BJAE	
Cc1ccc(Cl)c(-c2cccc(F)c2F)c1	390108620	VIJYSIVPCLPXDD-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
Cc1cc(-c2ccc3ccccc3c2C)ccc1N	395051293	RBMGPXZBKGWZGX-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CSc1c(C)ccc2scc(C(F)F)c12	396400900	DHFKFSYGTHSHPS-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H](C)C(C)(C)C	399311335	MDDSZZFFJXHHJF-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)C(C)(C)C)c1	687711748	ZTXMNJGOBYWJPJ-GFCCVEGCSA-N	219.372	4.657	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)CC1=CCCCC1	688418703	UEYKWORSIDAREU-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
c1cc(N[C@@H]2CCC[C@H]3C[C@H]32)cc(C2CCC2)c1	690115154	YJLBDWMIDMQOEV-USXIJHARSA-N	241.378	4.555	0	10	BJAE	
CC(C)(C)NC[C@H]1CCCC[C@@H]1CC1CC=CC1	692011134	QUKKMZLVIDODLV-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CCC1(CNCC(C)C)CCC1	696677710	KVKGGXNWKOZMGN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CCCCC(C)(C)CC)NCC	696706509	ZTGCLVARHXNTQC-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](NC2CC3(CCC3)C2)CC1	697672722	AKLIOMPFBYEWGJ-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC)CCC(C)(CC)CC	701153406	BEMXHZACFXTMHD-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
C/C=C\[C@H](NCCC)C1CCC(CCC)CC1	704584750	ZFWRYHWCUWGVMB-ZCKRDXENSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](O)CC1CCCCCC1	704855748	DWTJDOVAJUBNMO-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C1=CC[C@H](CCNCC2CCCCCCC2)CC1	706870144	RHUIELMQFMEFHG-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
Cc1cc(C)c2[nH]c([C@@H](C)CC(C)(C)C)nc2c1	709125838	AXCQNADRGOYMEW-LBPRGKRZSA-N	244.382	4.719	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@]1(C)CC[C@H](C)C1(C)C	710765545	MGUVHOCJJWTVSF-YXWQFLTLSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@@]1(N)C[C@H]2CC[C@H](C2)C1)C1CCCCC1	711195312	QYOMNRKBXAKCCR-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1C[C@@H]1C1CC1)C1CCCCC1	712900849	YLSIUJJBGTZZIH-ISTRZQFTSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC(C)(C)C(C)C)[C@@H](C)CC(C)(C)C	713131875	MACSSGYQUMRBRQ-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1CCc2ccccc2C1=O	713304953	QYKNNJRTVVCZNU-CQSZACIVSA-N	244.378	4.504	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@@H](C)CC(C)C	713684134	MRKSKJGUPJGUMP-ALLYREJPSA-N	237.431	4.559	0	10	BJAE	
C(CCC1CC1)CN[C@@H]1CCC[C@H]2CCCC[C@@H]21	714256672	MWVXCJZMYOWMEC-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)C[C@@H]1N)CC(C)(C)C	717530071	UQZVUAKUQCXZRT-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C1CCC(C)(C)CC1	718655410	XSJWHUCTXSUKEE-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
Cc1c(Cl)cccc1NCCCCC1CC1	720116772	IXEPOYRDGZYYGW-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@H]3CCC[C@H]32)c(C)c1	722078836	OTFQMRMMRYYIJF-BZUAXINKSA-N	243.394	4.602	0	10	BJAE	
C=C/C=C/CCSc1cccc(Cl)c1	1188718568	OKMXVIWWDHFJSG-ONEGZZNKSA-N	224.756	4.564	0	10	BJAE	
C/C(=C/Cl)CSC1C[C@@H](C)C[C@@H](C)C1	1473021820	PXMOLAMYBXOIHS-CAUSZXIVSA-N	232.820	4.687	0	10	BJAE	
CCCCCN(C)[C@H](C)c1ccc(Cl)cc1	1473778256	XAKIGGBSIYHVOR-GFCCVEGCSA-N	239.790	4.523	0	10	BJAE	
CC[C@H](C)CS[C@@H](C)c1ccccc1C	1656373631	ATRGXFPMMGFQSW-AAEUAGOBSA-N	222.397	4.835	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1CCC(C)(C)C1	1902253009	WVMKEYOBVQPXLF-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCCCC[C@@H]1O	1905443117	GONHRQVTUXSMTG-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc(Cl)cc1	1905454700	UQPFHPIZQACNLQ-FZMZJTMJSA-N	239.790	4.556	0	10	BJAE	
C=CC=CCC[C@H](NC)C1CCC(CCC)CC1	1912075658	SQDNYXRCFYSRTQ-JCYILVPMSA-N	249.442	4.703	0	10	BJAE	
CN[C@@H]1CCCCCCCC[C@H]1C[C@H]1C=CCC1	1913410198	ILGHMFHJEXMUPA-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1N[C@H]1CCC2(CCCCC2)C1	1915861225	BHWOIUUUYPQOAH-HNNXBMFYSA-N	243.394	4.910	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCC2(CCCC2)C1	1916434705	BXPRDRZMVCYJSO-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
Cc1ccc([C@](C)(N)[C@@H](C)CCC(C)C)c(C)c1	1920494516	UEBLLZBHJOTDNJ-DOTOQJQBSA-N	247.426	4.550	0	10	BJAE	
C[C@H]1C[C@@H](N[C@H]2CCCC23CCC3)CC(C)(C)C1	1921512201	ATVAKRBMYXIVJB-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCCC12CCC2	1921604339	JRRYTXJCSOBBPY-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCc1ccccc1C(=O)C[C@@H]1C=CCCCC1	1925764726	CRYNMMJPYQRJAB-CQSZACIVSA-N	242.362	4.568	0	10	BJAE	
C1=C[C@H](Cc2ccccc2C2CC2)CCCC1	1925878952	GUBRAZVBHKOSDL-AWEZNQCLSA-N	226.363	4.853	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1csc(Cl)c1	1933586504	JQMAFGPHDFFYDZ-JQWIXIFHSA-N	246.803	4.507	0	10	BJAE	
CCCCCC(=O)[C@@H]1CCCC(C)(C)CC1	1939900793	QWOCXGHCJOPKQP-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@@H]2CCC[C@H]2C)CC1	1940168046	PYFYJUQJZJZUJW-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H](O)[C@H](CC2(C)CCCCC2)C1	1940412596	HPGPLWRTGVELHN-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC1(C)C)C[C@@H](C)CC	1940880882	KANFTDBUYTXUGL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)CC1=CCCCC1	1940884854	ZTRFHCRGNYDMGW-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C(C)(C)C1CC1	1941140015	OLJVDJZRJTVPCH-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C(=O)c1csc2ccccc12)C1CC1	1941141970	YMCYLIBTBXOGNG-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CC[C@@](O)(C(C)C)C1CCC(C(C)(C)C)CC1	1941144532	ODFGYLPEVFFQBN-ZBCRRDGASA-N	240.431	4.636	0	10	BJAE	
CCCc1oc2ccc([C@@H](C)CC)cc2c1O	1941146038	FVUACUQZVVAXRL-JTQLQIEISA-N	232.323	4.604	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H](CCC)C(C)C	1941264591	SHKJXKVUTYGYPJ-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC1([C@H](N)CCCCCC2CC2)CCCCC1	1941585231	SGHZAECKHUXMIG-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)CC1CCC=CCC1	1941792257	CHYBLANRAFUWHO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C[C@@H](N)C1(C)CC(C)(C)C1)CC(C)(C)C	1941980465	RLNXHUAVQFUAFG-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H](C)CCC(C)C	1942664314	WUFGWAJYUREADA-ZDUSSCGKSA-N	232.367	4.504	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@@]12CCCC[C@H]1CCC2	1944141750	JNZQQNASKZDLPE-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@@H]1C=CCC1	1947589213	WFBKFWMAJQPENP-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC[C@H]1CCC[C@@H](C)C1)NCC	1948434097	WUBZFJKDVRZKJS-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@](C)(N)C1CCCCC1	1949056547	XOSNHCXENRRZTK-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](O)(CC)[C@@H]1CCC2(CCCC2)C1	1949453050	NKDMLVARDRERMA-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@@H]2CCC(C)(C)C2)C1	1949498869	YFLRHVBROJOXPC-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CNC2(CCCC2)C1	1949543277	KOEGCJBUUFETHE-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CCC2CCCCC2)C[C@@H]1N	1949659103	CUQVUVRNFAICQO-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCCC1(CO)CCCCC1	1950364244	LMLUCARQZJAGBK-UHFFFAOYSA-N	240.431	4.926	0	10	BJAE	
C[C@@H]1CCC[C@@](CO)(CC2CCCCC2)CC1	1950909495	XSESRWDELPLHSR-ZBFHGGJFSA-N	238.415	4.536	0	10	BJAE	
CCSc1ccccc1NC[C@@H]1C=CCCC1	1950968562	LRIJGEDSEROKCP-CYBMUJFWSA-N	247.407	4.567	0	10	BJAE	
CCCC[C@H](CC)CN1CCCC12CCCC2	1963229831	UVRKPXXXHFWBGF-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1967861501	YKPBKTYMQKYBEK-SIRPWMCASA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)CCCC(C)C)c1	1968307643	NHJJFQLFXDHNOH-OAHLLOKOSA-N	233.399	4.930	0	10	BJAE	
CCCc1ccccc1N[C@H](C)CCC1CC1	1968528839	YZIZUVFJTHVRED-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@@H]2CC(C)C)ccc1F	1971991759	OLHDEWSHUPOKKL-CZUORRHYSA-N	249.373	4.625	0	10	BJAE	
CC[C@](N)(CCC(C)(C)C)C1CCCCC1	1975998278	MRENHEFCQDFIKO-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CCC1CCCCC1	1976004083	UJDYSHVGIZUEMN-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CCCC(C)(C)C)CC1	1984462839	TWPYGTPEJOQBDJ-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](CCC)CCC1=O	1984589153	MNPHJVUOTFSIGC-KBUVRSHFSA-N	222.372	4.518	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(Cl)cc1C	1989819507	SKKFNWKXQVTMCN-NSHDSACASA-N	239.790	4.885	0	10	BJAE	
CC1CCC([C@](C)(O)CCCC2(C)CC2)CC1	1996545602	ACHVUZVZFQVIKD-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](CCCC(C)C)NC	2000255812	OUGCPXSFKDOVBO-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C1=CCCCC1	2000366561	ATBYVVWKSJHJII-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CCC1CC1)C1(C)CCCCCC1	2000377589	YEESVPOLZVWKDM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCNCC(CC)(CC)C[C@@H]1C=CCCCC1	2000504069	DNLUUAPAZAEFGH-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](C)(C[C@H](C)CC(C)(C)C)C(=O)O	2000504441	IGENAEXOIHROFD-IUODEOHRSA-N	242.403	4.730	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@H]1CCCC[C@@H]1C	2000505866	VSAXDVHGLHMREJ-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1C[C@H]1CC(CC)(CC)CNC(C)(C)C	2000507702	HCWBGXDMTRNMIK-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@@](C)(O)C(C)(C)CC)CC1	2002925804	UISSLIIFGGEWGG-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCC3(CC3)C2)sc1C	2003277913	PLLHRWAOGWBFDL-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CSc1ccc(NCC2(C)CC(C)(C)C2)cc1	2003410840	VPQXUWYQIXCTFV-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CCC[C@H](C)CNC1CCC(CC)(CC)CC1	2004369582	POZMFBTVKJGGHP-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)C1CC(C)(C)C1	2004711421	JMZDDQQITOUKGF-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1C[C@H](CC(CC)CC)C[C@@H](C)C1	2006622702	GAEPYDKFQLECFO-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C=C1CCCCC1)NCC	2007936658	HCEIFWWVBHURPA-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C=C1CCCCC1	2007942890	LGZWEUAQJLGQRP-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@@H]1CCC[C@@H]2C[C@@H]12	2008276575	VIQNCKHJAAOKPP-LZWOXQAQSA-N	234.383	4.518	0	10	BJAE	
C/C=C/CCCC(=O)C(C1CCC1)C1CCC1	2009567319	OYASXTXNXCYQRL-NSCUHMNNSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H]1NCC[C@@]12CCCC(C)(C)CC2	2009772100	NZVNDZFOYAULLW-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](NCC)C1=CC[C@@H](C(C)(C)C)CC1	2010711564	BOYYHYFHNSDJMS-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)C=CCC(C)(C)C1	2012065636	WRCYPQTXOXZLAS-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC[C@@](CN)(C[C@H](C)C1CCCCC1)C(C)C	2012434903	SIJWMQNIHJIBKB-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC[C@@H](C(C)C)N1	2013525840	KTWRILWOMFRHKZ-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(N)C1(C)CCCC1	2014341014	VHPSTVPZMCZQFZ-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC(=O)[C@@]1(C)CCCC(F)(F)C1	2014954491	MLYIYNRNNOLEQJ-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(N)CCCC12CCCCC2	2015402859	XZRSILZZUADAEE-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H](C)C2CCCC2)CCC1	2015640540	TULQLEPFNFQOQT-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](N[C@H](C)C1CC=CC1)c1cccs1	2016325992	BMUWFPCJFQXQJB-TZMCWYRMSA-N	249.423	4.534	0	10	BJAE	
CC(C)C1(C[C@@H](O)C[C@@H](C)C(C)(C)C)CCC1	2017121573	QFKCWYMYGKZMOM-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C(=O)CC1(C(C)(C)C)CCC1)C1CCC1	2017126176	XPXPANULLFQQIC-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)C1(C(C)(C)C)CCC1	2017132715	IOOWEPKLUYYVCF-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@](C)(O)C(C(C)C)C(C)C)CC1	2018962837	OXAAXYHUIRUKLH-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@@]2(O)CCC[C@@H](C(C)C)C2)CC1	2018980644	RXDHXXSKBIPISY-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CC1(CCC)CC1	2018988630	WQUQNUJCTVAJNL-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC[C@H](C)C1CCC1)NCCC	2019850159	QTILBWKEPOGAPU-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCN(C1CCCCC1)[C@H]1CCC[C@H](C)C1	2020535196	CPPKFXXURYODCI-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1C[C@@H]1C1CCC1	2022334965	QIPPWXCLZSIWKS-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@]12CCC[C@H]1C2	2026075756	YXOKHHMRXGLXET-OFQRWUPVSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@]1(C)C[C@@H]1C)NC	2026170629	RCMKSRDADMHGPB-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C1=CCCCCCC1	2027724534	ZGKOHLTXZMPFDJ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@@H]1CCCC12CC2	2027855020	LAAPECUTWWCOQF-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C(=O)c1ccc(C2CCC2)cc1)C(C)C	2028257246	HVRNNZSTWHXXQD-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1cccc(C2CC2)c1	2028557947	RVUZDTUNLITKHY-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)[C@@H]1CC[C@H](C)C1	2028896954	HZASKOQPRSHALT-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccccc1CC(C)C	2028930991	QUMLOAALDLMLSV-AWEZNQCLSA-N	246.394	4.894	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccccc1C1CCC1	2029074510	KXKWWJZKWQESHG-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
Cc1ccc([C@@H](N)C(C)(C)C2CCCCC2)cc1	2032341758	NSWXPHVNSDWNNI-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C[C@@H]2CC2(C)C)cc1	2032421080	MJDUFKLKHVXNNK-IUODEOHRSA-N	244.378	4.819	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@H]1C[C@@H]1C=CCCC1	2035599313	MOELPKOZQCKBDO-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)CC[C@]1(CNC2CC2)CC12CCCC2	2036106098	MVNKZKXZYSKFHW-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(CC2CCC=CCC2)C1	2037208332	VGROZWPVDZZFOE-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@H]1C=CCCCC1	2037271471	DPBOHTYHFYTPEX-YVSFHVDLSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)[C@@H]1CCC2(CCCC2)C1	2037694476	MSPBRDDMLNSMEE-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC[C@@H](O)CC1CCCC1)c1ccccc1	2038107203	DYGDNCKEQVDYOS-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@H]2CCC3(CC3)C2)CC1	2038581332	ZSVXITWWJWGPFC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NC2CC3(CCC(C)CC3)C2)c1	2038940462	LGZGCPYIDZTRCC-UHFFFAOYSA-N	243.394	4.766	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)[C@@H]2CC23CCCCC3)C1	2039079007	NESKMFHMUCVSGB-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](CN)(CC2CC3(CC3)C2)CC1	2039386350	SLBJMQQDJCXLTH-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(CC2CC2)cc1	2040708433	VMRDPISJXBBDPK-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CN[C@H](C1=CCCCCC1)C1CC(C(C)(C)C)C1	2043002287	MZZRWXVVDMWTFP-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1Nc1ccc(C2CC2)cc1	2043671703	CSEAZUSIMBYCLP-DOTOQJQBSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC=C[C@@]1(N)C[C@@H]1CCC=CCCC1	2045311382	JEGXYEYYFVQYCU-NVXWUHKLSA-N	247.426	4.587	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC=CCCC2)CC[C@@H](C)C1	2045319877	HXFCLXREVXXBKU-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCC1(NC[C@H]2CCC=CCCC2)CCCCC1	2045320732	OYOXMIJEGRYWOI-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CNC3(CCCCC3)C2)C1	2045514940	XSZFMGCSWNYBFM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)C1	2045561125	VPWIQDAYJQEMRW-HSZNGYFJSA-N	248.410	4.620	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)C1(C)CCCCCC1	2045820212	YVBMRKWTNLMSMX-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C[C@H](NC1CC2(CCCCCC2)C1)[C@@H]1CC1(C)C	2046235508	MAJTXCLWXHDBEQ-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC([C@@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049858604	PKUAUDFOUSNSLP-UIDBIOKJSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@H](O)CC[C@@H]1CCC[C@H](C)C1	2050440639	HYLORRUSGDAMOP-JLJPHGGASA-N	246.394	4.635	0	10	BJAE	
CC[C@H]1CCC[C@@H](CC(=O)c2ccccc2C)C1	2050451135	SMZORDGQAIFNGU-LSDHHAIUSA-N	244.378	4.784	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CCCC12CCC2	2051405624	FDLSAIJSCSLCBW-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)[C@H]1CCCCC12CC2	2053410769	GUASUZCGWJWJIR-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
FCc1ccc(N[C@@H]2CCC[C@H](C3CC3)C2)cc1	2055677747	KIFUDDKDFWRPOM-GOEBONIOSA-N	247.357	4.537	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H]1CCC[C@H]1C(C)C	2056451834	WSUNIBKUAOGBNN-BBWFWOEESA-N	249.442	4.559	0	10	BJAE	
CCN[C@H](c1ccoc1)C1(C)CCC(C)(C)CC1	2056557972	AEAXUFZSXNBWNM-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CC2CC(C(C)C)C2)C1	2056665391	CGHSMKWZYVLLCR-KKOFPSKJSA-N	248.410	4.620	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C2(C3CC3)CCCC2)C1	2057608867	KLDYGRCQCRVCGK-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](O)c1ccccc1C1CCC1	2059221914	TWZWVULANIFANS-YATRRXNKSA-N	244.378	4.734	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1C[C@H]2CC[C@H](C1)C2	2059225922	SXXGJHFMDNFREZ-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@]1(CNC(C)C)C[C@H]2CC[C@H]1C2	2059250827	UMFREWRWXBVVGR-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(C)c(C(F)F)c(C(F)(F)F)c1	2060360392	NWAFBBAXCNTZJO-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CC(=C3CCC3)C2)CC1	2061259219	ZWBKNVDNFGRZHN-BBRMVZONSA-N	247.426	4.578	0	10	BJAE	
CC(C)CCCCCCNCC1CC(=C2CC2)C1	2061718126	HNFHUXHUGDHHJJ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC2(CC(C[C@@H](N)C3(C)CCCC3)C2)C1	2063212225	YRSMTACIBCKYNM-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063417857	IFVVKQKBPBZGCP-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(N)(CC23CCC(CC2)C3)C1	2065340464	WKLWCTMNRUNDLJ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@@H]2C1	2068800930	MJCNZJSKMOJSLB-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C1(CC2CC2)CCC1	2069521745	PBJXYJVWDMZKEL-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C[C@H]1C[C@H]1CC	2071511518	OTCPNFWSZSKCBK-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H](C)c2ccccc2)CCC1	2071922978	XPBCTGWDSTYEPM-AWEZNQCLSA-N	244.378	4.576	0	10	BJAE	
CC=CCCCc1c2c(cc3c1CCC3)CCC2	2072886059	GDIHYMNONIXDME-UHFFFAOYSA-N	240.390	4.563	0	10	BJAE	
CCCC1(C[C@H](O)c2cc(C)c(C)cc2C)CC1	2074619987	XSVRLACGAYITAM-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@H]1C(C)=CCC[C@H]1C	2074630156	WMFLBEMXSUOSQT-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCCC[C@@H]2C2CCC2)C1	2074895454	IPCIJYRYFCLQMY-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1C[C@@H]2CCC[C@@H]2C1	2077198262	ZKYZZJIYZNNSNZ-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@H]1C1CC1)C1CCCCC1	2079331128	BVPMQDBFYDORQR-ZFWWWQNUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2C[C@H]2C2CCCC2)C1=O	2079866384	RIKNRZNGOQVSNH-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C1(C(C)(C)C)CCC1	2080239645	HAMRZZMVDXTUPI-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CC(C)(C)C[C@H]1C[C@@H]1C=CCCCC1	2082225106	MHPMSTNXUVEAHT-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)[C@H](N)CC1CC2(C1)CC1(CCC1)C2	2083617895	SHKTVFSRGHHSLY-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](C)c2ccc(C)c(C)c2)C1	2085252227	MMOKRQVEGWLQCU-UXLLHSPISA-N	245.410	4.533	0	10	BJAE	
CC1CC(C)([C@@H](O)CCCCCCC2CC2)C1	2213577496	CFWFPSRBQXDCQD-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](CC1(F)CCC1)NCCC	2215085617	UVFMIHAZXVAXQR-CQSZACIVSA-N	243.410	4.607	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)C1(C)CCC(C)(C)CC1	2215326659	ZWYDSRAERQWACH-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](NCCC)C1(C)CC2(CCC2)C1	2215375951	WVHWWVHNFLEUBM-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(O)(CC2(C)CC(C)(C)C2)CC1	2215387193	RIZDXJIHPDUUKK-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(O)CCC[C@@H](C(C)(C)C)C1	2216260743	ZXSNUYXRCXBWSG-AYDFFVQHSA-N	240.431	4.636	0	10	BJAE	
CCC(=O)[C@H](C)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216736023	FVUNTISEJLVPES-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)NC[C@@H](C1CCCCC1)C(C)(C)C	2217125599	QPLYGIKAIAFEKU-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1c(F)cccc1NCCCCCCC1CC1	2218717348	CLBKCWDDCUPNGD-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
C(CCC[C@@H]1CN[C@H]2CCCC[C@H]12)CCC1CC1	2218727954	STKWNWYZOAEUIJ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCCCC2CC2)CCC2(CCCCC2)C1	2220040670	NQIDHJDTECQUBF-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CN(C[C@@]1(C)CC=CCC1)[C@@H]1C=CCCCCC1	2221600321	JSWHECQTSVNZMZ-SJORKVTESA-N	247.426	4.554	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@]1(C)CC=C(C)CC1	2221615010	XLFZOIHXUNLAEQ-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)c1c(C)cccc1C	2222012828	BLVLHBCLFJIZAC-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H](C(C)(C)C)C1)c1ccoc1	2222269519	SAWRZQFDUMKVBL-NWANDNLSSA-N	249.398	4.535	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC1	2222933570	MQNAGWLULXMDSZ-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@@H]1C[C@H]2C[C@@H]1C2	2223115640	YOQKFEKCNQXOCH-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@]1(CNC2CCC2)CC12CCC2	2223577000	MOCUNQLDAXZHNN-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CCC(C)(C)C(=O)CCCCC[C@H]1C[C@@H]1C	2243877241	KYUCQDZTRZOFAB-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)N(C)CC[C@H](C)CCCC(C)C	2244837051	MZTQTMPIWUVIHD-HUUCEWRRSA-N	227.436	4.569	0	10	BJAE	
C1=C[C@H](Cc2ccc3ccsc3c2)CCC1	2246133916	NWJFITGZJHEJAX-LBPRGKRZSA-N	228.360	4.800	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCc2cccc(C)c2N1	2246647437	QLVHOGDGJHDMRJ-WFASDCNBSA-N	231.383	4.548	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC1CC2(CCCC2)C1	2246787677	NYKAFVFAHJPFCV-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)C1(C)CCCC1	2248856416	VUKRWPKMEXSBKQ-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@H]1CC12CCCCC2	2250365779	IVHFRLHORSUCSY-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CNC1CC(C)(C)C(C)(C)C1	2250387027	NBHXZXANTSLAAI-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(C)CC[C@@H](N)C1	2250486865	UVKIFOSWCQXUQD-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCCC[C@@H]1N	2250518349	IFJWGJJLAGCETG-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCc1cccc2ccn(CC3(C)CC(C)C3)c12	2253692065	VPUJPWJCIMVXCJ-UHFFFAOYSA-N	241.378	4.640	0	10	BJAE	
N[C@@H]1CCCCCC1=CC[C@@H]1CCCCC12CC2	2253824434	QBLHYVVZHYDIIQ-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
Cc1coc(C(=O)CC[C@H]2CCCCC23CC3)c1	2253839923	PYETZXIUNHRIDX-CYBMUJFWSA-N	246.350	4.521	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNCC(C)(C)C1=CCCC1	2254505464	MXVOABXTNDFQJH-HUUCEWRRSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)C12CCCC1CCC2	2254527347	CSVBJJRBXOTTAD-UWEUSHKOSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1OCCCC[C@@H]1C[C@H]1C	2254543812	NBAGKMBSGSCGEW-GDBMZVCRSA-N	246.394	4.844	0	10	BJAE	
CCCN[C@H](CCCC[C@H]1C[C@H]1C)C1CC=CC1	2254569171	NYHQPGAAUALHAI-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1CCC12CCC2)C1(CC)CCC1	2255022876	GTFMUVWGHJNITP-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](C[C@@H]1CCCC12CC2)C1=CCCCCCC1	2255240761	ZOQLHOSCHZLNMN-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CCc1cccc(F)c1NCC1(C(C)C)CCC1	2256144477	NPGZOLPQZJABJN-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
CCC[C@H](N[C@@H](C)[C@@H]1CC12CCC2)C1CCCC1	2256495891	SVQYTWFDUBOPCN-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C1CC(=C2CC2)C1	2257305505	FPBGCIXSRKDHCU-GXTWGEPZSA-N	246.394	4.662	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H](C)[C@H]2C)cc(C)c1C	2258240028	SWEBOCJPNIGFKW-RGYTYGDFSA-N	245.410	4.848	0	10	BJAE	
CCCc1cccc([C@H](NC)[C@H](CC)CCC)c1	2259444715	QOCNMBKFRLDUST-NVXWUHKLSA-N	247.426	4.726	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cc2cc(C)ccc2o1	2259477754	KYWYZVJTFXWUAD-MLGOLLRUSA-N	245.366	4.567	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@]12CCC[C@H]1CC2	2260602642	KTRGZCQVYCXYGL-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC[C@@H](O)c1cccc(C2CCCC2)c1	2260661637	KGYMGQHXLBRWAR-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CCC1([C@@H](N)c2cccc(C3CCCC3)c2)CC1	2260728067	XWABDOCHBQGLTB-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCN[C@@H](CCC1CC(C)C1)C1=CC[C@H](C)CC1	2261497572	NLTWIPVOWJGBKR-GIOUXUJVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)[C@@H](C)CC1CCC1	2298869439	KMWIZWWRFJJCIU-HOCLYGCPSA-N	239.447	4.712	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CC(C)=C[C@@H](C)C1	2300681540	PRJKOFMNMLVENL-KCXAZCMYSA-N	237.431	4.523	0	10	BJAE	
CCC(C)=CCC(=O)c1csc2c1CCCC2	2300882939	ZCCJSWRRQOGCFK-UHFFFAOYSA-N	248.391	4.556	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@](C)(N)C1(C)CCCCC1	2301829825	SLHKTJADQSPFLG-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1cccc(C2CC2)c1	2301832714	MRTBEZDHKHEQRL-OLZOCXBDSA-N	231.383	4.657	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)CCCC1=CCCCC1	2302357186	VRUNWJKQMBAIHK-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@@H]2CCCC[C@H]2N)C1	2302512788	JMQLNSKWLFIKEP-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)C[C@@H]1CCC(C)(C)C1	2302720207	FIMRTGLCNONBNG-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@H]1CCC(C)(C)C1	2302747719	GRGSTDIXQNJMMO-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CCNCC[C@H]1CCC(C)(C)C1	2304406742	DQAPPDUWLCAHIY-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C)[C@@H](C[C@H](CC)CCC)C(C)C	2307904341	SFEVMZUTTTZQEJ-OAGGEKHMSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)C[C@@H](C)CC(C)(C)C1	2307907295	BSBCYHZVTFECMU-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1C[C@@H]2CC[C@H]1C2	2308576620	DQBRSSGFMJGNFE-ISTRZQFTSA-N	241.378	4.555	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2311164651	ONSQSRQSSWICBN-AIANPOQGSA-N	248.410	4.598	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@H]2C[C@@H]1C2)CCCC(C)C	2316531130	BIIVNECUXLPHHD-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)C[C@H]2CCCC[C@@H]21	2318573678	VDLXOWYJHKFLDS-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)C2(CC3CCC3)CC2)C1	2319033919	GZDJJZHORBTBKG-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@H]1CC[C@@H]1C1CC1)CC1CCCCC1	2319738088	OHBRFZUHNPGAQP-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CC[C@]1(CC[C@H]2CC[C@H]2C2CC2)CCCCCN1	2319752481	YHFNUODZQPHAFY-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@@]12CCCC[C@H]1C2	2320212906	GFXQPVTXRKIWGW-ZJOBFFGXSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@]12CCC[C@H]1CC2	2320220104	UCSROYZPZBUKFM-SZOQZIPDSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@@]1(C)CC=CCC1	2320254473	KFUTVXOHEWRSNB-VBQJREDUSA-N	248.410	4.764	0	10	BJAE	
Cc1cccc(N(C)C[C@H]2CC[C@@H]2C(C)(C)C)c1	2320310538	IWWBYPRGXOQTCA-ZBFHGGJFSA-N	245.410	4.504	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H](CC1CC1)C1CC1	2320810852	KAANXHWEMWACLY-DLBZAZTESA-N	249.442	4.501	0	10	BJAE	
Clc1ccc(/C=C\C=N/c2ccccc2)cc1	15772254	LZPOSQZJCMSNLO-POKODVPMSA-N	241.721	4.756	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(C)c(C)c1	21520654	RMLPLIVNLMDNAD-CQSZACIVSA-N	219.372	4.684	0	10	BJAE	
CC(C)[C@@H](NC1CCCCCC1)c1ccccc1	35015830	VARWXIGATYDSCT-QGZVFWFLSA-N	245.410	4.696	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1ccc([C@@H](C)CC)cc1	35469062	AJHIWQZGWSPVGS-JJRVBVJISA-N	247.426	4.897	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1C(C)C)C(C)C	35493922	UHATWGNQERTVDP-QGZVFWFLSA-N	247.426	4.850	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)c1ccc(C)s1	36792278	CGLCLLAKAZQPRW-DGCLKSJQSA-N	239.428	4.676	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)CC(C)(C)C)cc1	36940783	LXYKXMXZVPBNOS-GFCCVEGCSA-N	232.367	4.819	0	10	BJAE	
CSc1ccccc1N[C@H](C)CCC(C)C	36957316	IPHQUPBXCSYCSL-GFCCVEGCSA-N	237.412	4.645	0	10	BJAE	
CC[C@H](Nc1ccccc1C(F)(F)F)C(C)C	37196399	JBWJYMAUWJEAFI-NSHDSACASA-N	245.288	4.552	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@@H]1CCC[C@@H](C)C1	37253763	ICHHHXVAICPMHB-HUUCEWRRSA-N	239.447	4.616	0	10	BJAE	
N[C@@]1(C2CCCC2)CCCC[C@H]1C1CCCCC1	37376825	MTKHPANXIMKENI-DLBZAZTESA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCCCC(C)(C)C)C(C)(C)C	70747408	BVZBPCRLTHJECM-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
Cc1nc2c(C)cccc2c(Cl)c1C(C)C	71084757	PMZFUVMTDQSOFA-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(F)cc2C)C1	71105915	NMULYVMYQFZYTG-JSGCOSHPSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(c2ccc(C(C)C)cc2)C1	71109701	ZVVQHGIXKKCJKA-RHSMWYFYSA-N	245.410	4.564	0	10	BJAE	
CCCC[C@H](CC)CC(C)(C)C[C@@H](C)NC	82816739	DIGMSMKSHOLUIJ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CC[C@@H](N[C@@H](C)c2cc(C)ccc2C)C1	83829009	BBIDOZQACDGVIK-HRCADAONSA-N	245.410	4.533	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1C[C@@H](C)CC[C@@H]1C	85098728	OHLYJIPSPIDBRZ-HEHGZKQESA-N	245.410	4.794	0	10	BJAE	
CSc1ccc(N[C@H]2CCC[C@@H](C)CC2)cc1	86878431	DUOGXCCKEHMTSQ-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C)CC2)cc1C	86878999	AUABAHZTWMAAHH-IUODEOHRSA-N	231.383	4.684	0	10	BJAE	
CCN[C@H](C1=CCCCC1)c1cc(C)c(C)s1	87566896	BECRBRFUVKEJHI-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CCCN[C@@H](CC)C1CCC(C(C)(C)C)CC1	87988043	ACZRMBHVJLTJAZ-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NCc1c(C)cc(C)cc1C	88292729	JTRHIEMYJJUVKW-WBMJQRKESA-N	247.426	4.526	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCS[C@H]1C	94475399	PHBZOBDPTUGEMR-GXTWGEPZSA-N	249.423	4.506	0	10	BJAE	
CC(C)COc1cccc(N[C@H](C)CC(C)C)c1	109905575	YJGAPRALXNYYCS-CQSZACIVSA-N	249.398	4.568	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)c1ccc(C)c(C)c1	111647497	VZTLJBNBZCYTGW-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
CCCc1ccc([C@@H](O)C[C@H](C)C(C)(C)C)cc1	111653849	DQXKNFFMJMDVDH-BBRMVZONSA-N	248.410	4.745	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CCC2CCCC2)C1	126088616	SJNXBIKPRZZYFC-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](CC1CCC1)NCCC	128484620	IQLXKNSLGBFOKI-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@H](NC)c1cccc(C2CCC2)c1	133636488	JFWOAMOTUSPWTG-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
C[C@@H]1CC[C@](N)(CCC(C)(C)C)c2ccccc21	137048847	IFBGYTGVZZAFKF-DYVFJYSZSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@H](C)c1cccc(C)c1	160159094	HSNJSOITKHCJKG-UNEWFSDZSA-N	247.426	4.860	0	10	BJAE	
CCC[C@@](N)(c1ccccc1)C1CCCCCC1	167680974	PVAGYEGJCHEZQG-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
Cc1c(Cl)cc(Cl)c2sccc12	196122375	HYGFFOFQBHMAFH-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1CCC(C)(C)C	217668603	DLXDANFFKYQWNW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CSc1cccc(N[C@H]2C[C@H](C)CC[C@@H]2C)c1	221607341	GTSBTUAGISWQPN-XUJVJEKNSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@H](CCC)NC1CCC(C)CC1	225998562	WBDGUMPZZZKGOQ-SLTAFYQDSA-N	225.420	4.514	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)c1ccccc1C1CCC1	226800961	YDONSHREBWMZBI-GXTWGEPZSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H]([C@H]1CCC[C@@H](C)C1)C(C)(C)CC	229470236	KVGOLQQKNJCXSE-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H](C)c1ccccc1	232962695	FWKNOJNOWZKDPJ-WBVHZDCISA-N	247.426	4.739	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C1(C)CCCCC1	233089654	PAYIGANWJBFJQD-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCC2(C3CC3)CC2)CC1	233379692	LJFNTRUFDFRDPA-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NCC(C)(C)C(C)C)c1ccc(C)cc1	234025511	CSAKPGWURASMLL-INIZCTEOSA-N	247.426	4.718	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CCCC[C@@H]1C(C)(C)C	252388239	DACHQBPENIDFSJ-AJNGGQMLSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CCNc3ccccc32)C1	300117337	SWJHNGYPLHMMCZ-QLFBSQMISA-N	243.394	4.802	0	10	BJAE	
C1CCC(CC[C@@H](CNC2CC2)C2CCCC2)C1	302242017	FLBJPFLESPPZBV-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@@H](C)CC(C)C	302550744	JXTFYTZIZLGQTI-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)CC(C)(C)C	305898718	WYZIWIRRVAJYQA-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCOc1c(Cl)sc2ccc(Cl)cc12	307535487	JZJGKHLMZABUNQ-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)[C@@H](CC)CC(C)C	308049634	FUVDAJHHQNVFRS-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CCC(CC)[C@@H](C)NC[C@@H](C)C1CCCCC1	310203046	BEXMZKXMBCJSPN-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)C[C@H](C)C1CCCCC1	310552371	GUPZYEYDZSIMBZ-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
CC1CCC(CCC[C@@H](O)c2ccccc2)CC1	310800286	XBERUEXULDMNCU-VMBOVVBDSA-N	246.394	4.717	0	10	BJAE	
CCC1(COc2cccc3ccccc23)CCC1	310884580	XHCWAGHFQXEOKN-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
CCCCC[C@]1(CNC(C)(C)C)CC=CCC1	317208240	JHBAUKQNXFFXJH-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](Nc1c(C)cc(C)cc1C)C1CCC1	322576393	UAWWYUVUQXIKLS-HNNXBMFYSA-N	231.383	4.602	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H](C1CC1)C(C)(C)C	324316120	XJZVXEWGEQXDQV-OCCSQVGLSA-N	239.447	4.616	0	10	BJAE	
C1CCCC(CN[C@H](C2CCC2)C2CC2)CCC1	324973142	QGADAQZBWMWKBF-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](C)CC(C)(C)C)c1F	385121876	KFYQVTNQZBKBPZ-JTQLQIEISA-N	241.325	4.510	0	10	BJAE	
C[C@@H]([C@@H](O)c1ccc(C(C)(C)C)cc1)C(C)(C)C	385372072	CJTGHLKAUJIOFF-SWLSCSKDSA-N	248.410	4.700	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)[C@H]1CCCCC1(C)C	393920632	GFZHHAKDRANTDJ-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CCCNCC/C=C(/C)CCCCCC(C)C	394758808	AAQVOLNUYFAVAI-VBKFSLOCSA-N	239.447	4.929	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC12CCC2)C1CCCCC1	394869586	RKUWIZIAXLDDRG-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCCC1(CNCC(CC)(CC)CC)CCC1	395169017	YRYUCZYAYWRGMM-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC1(C)CCCC[C@H]1Nc1ccsc1Cl	395633762	FJJFFJCYRHPNRD-SNVBAGLBSA-N	243.803	4.782	0	10	BJAE	
CCOc1cc2c(C)cc(C(F)F)cc2s1	396242861	NGHPKGVZTJFEEZ-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CC(C)c1ccc(C(=O)CCC2CCC2)cc1	398626819	MPOFJIFVABUTSJ-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]3C=C[C@H]2CC3)CCCCC1	402169661	UBTWMVXVMKKTGD-KKUMJFAQSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1coc2ccccc12	404707217	YIMLENCNBDRXMO-OAHLLOKOSA-N	245.366	4.662	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1CCCC1(C)C)C1CC1	405889975	OFRMHMZCGAUIBR-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)c(-c2cc(C)cc(O)c2C)c(C)c1	686553886	VSICBHRAWUCSCV-UHFFFAOYSA-N	240.346	4.601	0	10	BJAE	
CCCNCC1(C[C@H]2CCC[C@H](C)C2)CC=CC1	690534459	RDUTZBCRGWTZMD-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2CC3CCC2CC3)C1	691738998	BJDRXOGOGDLFEB-OCUYMYNFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(CC(=O)C2CC3(CCC3)C2)CC1	691918424	GBWHSWAUYKYKOG-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@H](O)c1cc2cscc2s1	694425031	KIHQVDLMRBVGJW-JTQLQIEISA-N	240.393	4.577	0	10	BJAE	
CCC(C)(C)CC[C@@H](F)c1cccc2c1NCC2	696700638	GBZSWXZFOMXXCU-CQSZACIVSA-N	249.373	4.882	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C(C)(CC)CC	701133809	QMBCAOHFVDNIDA-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@]1(C)CN[C@@H]1CCCC12CCCCC2	702009030	YFEFYPADNAFBEW-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(CCC2=CCCCC2)CC1(C)C	702228144	RXVBPBNCPOLEJU-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@H](CC(C)(C)C)CC(C)(C)CCNC1CC1	709081590	QMIGEHKOEYCPRN-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(O)CCCC(C)(C)C1	709255845	CDSOHNQAONJQTC-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C[C@@H](CC)C(C)(C)C	711105501	NLPXCOUPTIDKRM-YNEHKIRRSA-N	226.404	4.700	0	10	BJAE	
CC[C@@H](CC(=O)C[C@H]1CC=CCC1)C(C)(C)C	711115193	ZAGBWZVNNXZKOK-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
CCCN[C@@H](CCCC(C)(F)F)C(CC)CC	718656051	FOEWERPCPBGEFD-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC(C)c1csc(S[C@H]2CC[C@@H](C)C2)n1	1166457871	DPIFNPBHRRFSMZ-ZJUUUORDSA-N	241.425	4.547	0	10	BJAE	
C[C@H](c1ccco1)N(C)CCC1CCCCCC1	1473128072	GOXWYQHLCRXHIP-CQSZACIVSA-N	249.398	4.633	0	10	BJAE	
CC1(c2ccccc2C(F)(F)F)CCCCC1	1614659851	AJEOTURBCJSLLN-UHFFFAOYSA-N	242.284	4.927	0	10	BJAE	
C1=C(CCN2CCCC23CCCCC3)CCCC1	1653808466	SLEYNISANGDGBV-UHFFFAOYSA-N	247.426	4.676	0	10	BJAE	
C[C@@H](CSc1cc(F)ccc1F)C(C)(C)C	1656144670	DOHKJTWYQYEYQF-VIFPVBQESA-N	244.350	4.739	0	10	BJAE	
CC(C)[C@H](C)N(Cc1ccccc1)[C@@H](C)C(C)C	1880412787	CLCFZKZYLSMFOT-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CCC(C)=CC[C@H]1CCCCCCCC1=O	1900865252	BHAMIJUWFFEDBD-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Oc1cc(F)cc(Cl)c1	1901681611	FZPZJOIZEWYXHI-ZJUUUORDSA-N	244.737	4.539	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)C(C)(C)C(C)(C)C	1901700916	IFJMIQUTWVPVAA-NWDGAFQWSA-N	226.404	4.556	0	10	BJAE	
CC[C@@H](c1nc([C@@H]2CC2(C)C)cs1)C(C)C	1901913216	XGVZTSBCCXEUKL-MNOVXSKESA-N	237.412	4.806	0	10	BJAE	
CC(=O)CC(C)(C)CCCC1=CCCCC1	1901963240	XHOKAUUAOIEPRO-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
Cc1cc(NCC[C@H]2CCC(C)(C)C2)cs1	1903402391	HWKXWAHWUXDRMA-GFCCVEGCSA-N	237.412	4.685	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC[C@H](CC)C1	1905395030	YLOGVLDQGRWDEO-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC[C@@H]1C[C@H]1C)NC	1910137945	MKANPXPCWLQQTR-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H]1CCCC[C@@H]1C	1911794550	NZBUVOBPIKIDDU-ULQDDVLXSA-N	249.442	4.703	0	10	BJAE	
CCC=CC[C@H](C)c1cc(Cl)ccc1OC	1912119243	BQAFMIJLVXFPMJ-NSHDSACASA-N	238.758	4.808	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1(C)CCCC1	1919958319	HLJVGNUGVUYYEC-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCCC1CC(C(=O)CCCCCC2CC2)C1	1921270634	FAXYYYZANANLSB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC=C1[C@H](CN)CCC12CCC2	1924922482	UQXPJGOBLYJWCC-HNNXBMFYSA-N	249.442	4.668	0	10	BJAE	
Cc1ccc(Cl)c(C[C@@H]2C=CCCC2)c1	1932597517	CXQNLDCSSNYJLY-GFCCVEGCSA-N	220.743	4.547	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CCCC(C)(C)C	1936200087	YBLUGFKLGXPQKM-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
CCCCCC[C@@H](CCCC1(C)CC1)NCC	1940863076	KQFRPVUNRMBFHO-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC[C@H]1CC1(C)C)NC	1940880008	ZUXXCKBEYPRUBX-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](O)(CCC(C)C)C1CC1	1942657866	GLKVIYWUOPCFEI-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)c1ccsc1C	1944454191	VIVIUPNIOPXPHP-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C(C)(C)C(C)C	1944669427	ZIAGLJCCKDFJKG-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1[C@H]2CCCC[C@H]21	1945052856	JWXPQOSQOJOQGE-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCCC12CCC2	1947879247	BINWVNDGLGKPPN-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CC=CCC1)NCCC	1948429271	PPKIXBLCEYWSLT-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@@H](N)[C@@H]1CCC2(CCCC2)C1	1949531316	OZZNAHXEJKOXBH-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC[C@H]1CC)C(C)(C)C	1949825439	MIWOYULFWOAGES-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC[C@H](CCN)C1	1950515365	LCEQLTRLRBKAHB-JKSUJKDBSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC)CCCC(C)(C)CC1	1950913287	GCIATIJVWWBHMD-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](C1CCCCCC1)C1(CC)CCC1	1951234290	DZZRMONEGCPMKC-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC=CC[C@@H](C)c1cc(CC)ccc1OCC	1951308386	FXLYNVMRNHEJOE-CYBMUJFWSA-N	232.367	4.717	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2ncc(C)s2)CC1	1958425307	PXTFZAVAJZNDTN-NEPJUHHUSA-N	223.385	4.525	0	10	BJAE	
CCC1(CC)CC(NCC2CCCCCC2)C1	1963182572	LYYFTEHWSCGUGR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CN[C@H]2C[C@@H]3CCCCC[C@@H]3C2)CC1	1965946096	ROGCWKRVEBGAPD-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1CC(CC)(CC)C1	1968859243	MAVFAPUMCQULOH-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)CN[C@@H]1CCCC2(CCCCC2)C1	1969980820	JRUAFSVGJQKHAB-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)CC[C@@H](O)c1cccc(Cl)c1	1980679489	ASASZOKVQYJVIC-BXUZGUMPSA-N	240.774	4.590	0	10	BJAE	
CC(C)=CCc1ccc(C(F)(F)F)cc1C	1980983708	SYGBVLCAAZFSJP-UHFFFAOYSA-N	228.257	4.523	0	10	BJAE	
CCCCCC[C@@H](CC=C(C)C)NCCC	1981010768	PNEFBUGDMBWSEL-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CC(C)CCCCC[C@H]1CC[C@@H](C)C(=O)C1	1982770325	PJWFHSUWHOOBGB-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCCCC(F)(F)c1ccccc1	1984603078	IECCSVUUEWKZJE-NSCUHMNNSA-N	224.294	4.915	0	10	BJAE	
CC=CCCC[C@@H](N)[C@H](CCC)CC(C)C	1984637193	ABWGTAHHOWZODH-HUUCEWRRSA-N	225.420	4.523	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1cc(C)c(C)s1	1989984719	QKYYSWSVBGPLHA-OCCSQVGLSA-N	239.428	4.581	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cccc(C)c1Cl	1994204886	SVVOVXNYLIDFLF-BXUZGUMPSA-N	240.774	4.508	0	10	BJAE	
CCC1(N[C@H]2CCCC(C)(C)C2)CCCCC1	1995690658	GYWZAUBRAMLCQV-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CCCC1(CN(C)C[C@@H](C)CC(C)(C)C)CC1	1995799318	PTNPKGCJBZPPSJ-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CC[C@H]1CCC[C@@H](Cn2c(C)ccc2C)CC1	1997195554	KPXUJAPWCGTABX-JKSUJKDBSA-N	233.399	4.711	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@]2(C)CCCCC2(C)C)C1	1997429892	SCPUFDRKKMTHKU-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC(N)(C2CCCCCC2)CC1(C)C	1997766095	MGGMPMWBKQMTAM-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
O=C1CCCCC[C@H]1C[C@H]1CCC=CCCC1	1999984301	WVXSLBQUFFNGGB-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
O=C1CCCCC[C@@H]1C[C@@H]1CCC=CCCC1	1999984302	WVXSLBQUFFNGGB-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@@H]1CCC=CCCC1	1999987579	HKWUVWAYGUBLMW-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)C[C@H]1CCC=CCCC1	1999990735	MEQAFEASFRKLLW-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CCCCCN1[C@@H]1CCCC(C)(C)C1	2000153214	AOBWOKVMQMURDR-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
C[C@H](CCNC(C)(C)C)[C@@H]1CCCC(C)(C)C1	2000161995	JIELYCYDCPJWOH-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)C)C1(CCC)CCC1	2000387572	LQJUGVAAMQNYOB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@](C)(CCCC)CNC1CC1	2000509397	OSLQWODRIGRLQC-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
Cc1cc(NC2CC3(CCCCCC3)C2)cs1	2000670147	LOWQSIWWSLLSQQ-UHFFFAOYSA-N	249.423	4.971	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1CC12CCCCC2	2001259378	NDXMKLBJIJLHON-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)CC1(C)CC1	2002516781	UBQHMDKUYXXYTL-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1[C@@H](C)[C@H]1C(=O)C1(C)CCCCCCC1	2004936534	ASGLXXDLBDXNTA-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCCCC12CCC2	2005565877	UXUKXALQNAEBHX-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CO)CCCCC12CC2	2005578550	BJMKPQZGDLRPHR-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)c1sc(C)cc1C	2007951949	QIFUNLZJZOHZSI-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CN[C@@H]1CC[C@@H](C)CC[C@H]1CCCC(C)(C)C	2009409205	ZMHMWCMNRFAPIM-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@](N)(CC)CC1CCCCC1	2009580146	XLSCSZVUZQMPMP-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1CCCC(C)(C)CC1	2009619905	PKUCDKMGSAMSRM-YJQVQVLHSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)C1=CC[C@H](C)CC1	2010620737	DSTUWEIHJRLHNR-OFQRWUPVSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2012009244	OAFWQILMJKOBTN-ZSOGYDGISA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@]1(CC(C)(C)CC)CCC1(C)C	2014850638	XKJGZRZULSHPIM-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC1=CCCC[C@@]1(N)CCC(C(C)C)C(C)C	2015395109	VWOYAPJGOAQHLZ-MRXNPFEDSA-N	237.431	4.523	0	10	BJAE	
CCCC1(C[C@@](C)(O)C2CC(C)(C)C2)CCC1	2015633296	NKFOFSJRFJRHIN-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1CCC(C)CC1	2017485572	GBVOCQWOQRIQOQ-AVVWSFFYSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CCC([C@@H](O)C(C)=C(C)C)CC1	2017489135	GDKRGJLOCPKBKW-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@H]1CC[C@H](C)CC1	2017765404	IHCZHOXIXDNZOD-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CC[C@H](C)CC2=O)CC1	2017771882	YXRRBUKYUJJPCH-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)C1[C@H]2CCCCC[C@H]12	2018136515	MANKSKPYJHGXEF-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@@H](N)C(C)(C)C2CCCCC2)CC1	2018994837	MIUQWPLNRCARSM-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCCCCC[C@H]1C	2019201584	SMSRAXQEDRCFBB-BZUAXINKSA-N	237.431	4.610	0	10	BJAE	
CCCCCCN(C)[C@H]1CCC2(CCCC2)C1	2019290494	JSAVGAIVQRHFQI-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C[C@H]1CC[C@H](C)CC1	2019420194	BVYMCGZIBVTFBH-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CC1(O)CCCCCCCC1	2022451262	MQJDXHWCFUXWMC-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2022554310	NGQQIBNVEJJUGB-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CC(C)(C)C1(C)C	2025017357	AUOXEFSKCIGUJW-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCC1CC(C[C@@H](CCCC(C)(C)C)NC)C1	2025428956	YFAMYMSCAYETPQ-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@H]32)CC1	2027339167	ACFHPVLNJRYLAQ-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@H]1CC2CCC1CC2	2027815638	OTDNVEOHMQYVQO-CVSAEHQPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C=Cc1ccccc1	2028587998	JTNFQPHWQYIUOT-SJORKVTESA-N	246.394	4.523	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccc(C2CCCC2)cc1	2031747296	VPIMGANZNDYNHY-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@]23CCCC[C@@H]2CCC3)C1	2031807906	IFVGHBMZTQGCJG-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCNc1ccccc1C1(C)CC1	2032246905	OUCJVVZCWWVCIJ-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)c1ccc2ccccc2c1	2032343050	BKESJHFDRRLLOZ-MRXNPFEDSA-N	241.378	4.522	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(N)CC(C2CCCC2)C1	2033782336	IPYBGZUFYJPZSX-PXZKZTPFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@@H](C[C@H]2C=CCCC2)C1	2035593964	UKUOVMHFWKECCC-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H]1CCCCC12CCC2	2035891122	JCXUZRLGTBSQFN-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@@H](C)[C@@H](C)CC(C)C)c1	2036385787	WGGBAAGOHORGAL-HRCADAONSA-N	247.426	4.716	0	10	BJAE	
CCC1(CNC(C)(C)C)CC2(CC3(CCC3)C2)C1	2039460448	QDWZMHKVFXUBTQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)C[C@H]3CCCC[C@]3(C)C2)C1	2040168123	DTXAUTIBSFWJHC-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(NCC23CCC(CC2)C3)cc1	2041247208	JVBHCUXBNKLAGT-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
C[C@@H]1CNCCC(=C2CCC(C(C)(C)C)CC2)C1	2041548540	HFWSKMIROIDVND-KNVGNIICSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@]1(C)CC=CCC1	2042074632	PLSHFQZWQXYGOK-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C1=CCCCCC1	2042743139	RUNARXHPXDUMJT-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CC[C@@H]1N[C@H](c1ccccc1)C(C)(C)C	2043675034	CQJYHATXGHJLJX-VNQPRFMTSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@@](C)(CN)CCCCc1ccccc1	2045977079	WKZGTCZOPJENJU-QGZVFWFLSA-N	247.426	4.555	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2C[C@H]3CCCCCC[C@H]32)C1	2047437948	PNCUDLUZPVXLNM-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CCC1(C[C@H](C[C@H]2CCC23CCC3)NC)CCC1	2047928480	KKXDUECKWSOGKO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C[C@H]1CCC12CCC2	2047930444	ANNRVHZJSWZQCK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2048470327	NOPNKICRSPAOCE-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@H](C[C@H]2CCC3(CC3)C2)NC)CCC1	2049852579	CFVJDNDLIUMVFC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC2(CC2)C1)C1(CC)CCC1	2049858790	PPWGHLFQFKTLBC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC2(CC2)C1)C1CCCCC1	2049860627	BSGCISUPXNHTGB-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCC1)C[C@H]1CCCC2(CC2)C1	2049941427	WTBOSXIQHFIBAF-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@]1(C)C=CCCC1	2049995606	AOLHZNLESQLTKI-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CN[C@@H](CCCCC(C)(C)C)c1ccc(C)cc1	2050432740	XTOCKBBBPWYLMT-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](N)c1cccc(C)c1	2050464682	OWWSAQWBXMILRY-RDJZCZTQSA-N	247.426	4.991	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCC[C@@H]2CC[C@@H]21	2052287339	XPOZDGZQUJXWEM-UKPHBRMFSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@@H](CCC)Nc1ccc(C2CC2)cn1	2052657596	MVNSWINVNPWVHU-OAHLLOKOSA-N	246.398	4.730	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@@H]1CCCCC12CCC2	2053410524	FUXAALXDHWSLOZ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@H]1CCCCC12CC2	2053412749	QPLCSWFNYRSUCD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H]1CCC[C@H](C[C@@H]2CCC=CCCC2)[C@H]1C	2055622303	CNRUAPBCQKZXBN-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC1CC(C2CC2)C1	2056650993	MGVOZZUCEZLXCZ-OKEQZYBDSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C=C1CCCCC1	2056863021	NVGYJCXWZMYFCB-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@H]1CC[C@H](C)CC1	2056876545	RFLGHRYLHJOGEM-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)CC(NC[C@@H]2CCC=CCCC2)C1	2058863459	LVHNNHLIEHVSJC-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@H](O)c1c(C)oc2ccccc12	2059221071	INCPDSZZEBVTGF-CQSZACIVSA-N	244.334	4.521	0	10	BJAE	
CCCC1CC(N(C)C[C@@H]2CCC=CCCC2)C1	2059481557	OUPCJEJJCIVGTJ-KLAILNCOSA-N	249.442	4.633	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)[C@@H](C)C2CCCC2)CC1	2061140581	ONMWSSZQCRVRIG-VBQJREDUSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](C1=CCC(C)(C)CC1)C(C)(C)C1CCC1	2061146672	JAWDDQOBHYKZLT-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](CC[C@]23CCC[C@H]2C3)NCC)CC1	2061571842	MZXLAWSPFPSIJI-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](N[C@@H]2CCCCCC23CC3)CCCCC1	2062017671	AXGWXEKFLIVGOT-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CCC[C@H](N[C@H](C)C1CC2(CC2)C1)C1CCCC1	2064597858	XHVZXHVLPZHCHB-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1([C@@H](N)CC23CCC(CC2)CC3)CCC1	2065300752	PQFHIFMAIXUNGD-PCKAHOCUSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@](O)(CC)CCC(C)C)cc1	2066000849	UBIUEWVSMYHMRW-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CC(C)c1cccc(NC2CCCCCCC2)n1	2066347455	RASCGQJONFTFJX-UHFFFAOYSA-N	246.398	4.730	0	10	BJAE	
CC(C)(C)CC1CC(NCCC2=CCCCC2)C1	2067983865	ZPUYYZZZCYETJO-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](N)C[C@@H]2CCC23CCC3)CCC1	2069340832	ZDFKCGCEUMHOFN-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C(CCNCC1(CC2CC2)CCC1)CCC1CC1	2069501733	WLRIXVDDHORNFL-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H]1CC[C@H]2C[C@@H]21	2071063798	VXBWLDMBNQLWPE-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@@](C)(N)C2CC3(CC3)C2)CCC1	2071942002	ZOBRRVJABNFVJJ-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CC[C@H](CC)NC2)CC1	2072809918	RMPSSFZFMFEYED-ZOBUZTSGSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)C=CCCCC2)CC1	2072872951	JAIUPEZVTDDXAQ-ULQDDVLXSA-N	249.442	4.811	0	10	BJAE	
CCCCC[C@@](N)(CC)Cc1ccc(C)c(C)c1	2073340532	MRARVZWEIDRECK-KRWDZBQOSA-N	247.426	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@H](C)c2ccccc2)C1	2074892626	OPMOVYIBZUAKLH-INMHGKMJSA-N	245.410	4.648	0	10	BJAE	
CC=C(CC)[C@H](C[C@@H]1CCC[C@@H]2C[C@@H]12)NCCC	2077197636	SKRQBQCLKIBXPL-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2C[C@H]3CC[C@H](C3)C2)c1	2077264998	HAGMKLIDVYWJQO-AGGWBTHJSA-N	241.378	4.555	0	10	BJAE	
Cc1ccc(OC[C@@H]2C[C@H]2C2CCCC2)c(C)c1	2079801880	IORLQYOUFZBCJX-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
CCc1ccccc1[C@@](C)(O)CCCC(C)(C)C	2081207327	SWUSYRVPXIUXSC-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CC(C)(C)C[C@H]1C	2081946904	MWDXAYRREKKQSY-IAQYHMDHSA-N	249.373	4.625	0	10	BJAE	
CC1(C)CC(CC(=O)c2ccco2)CC(C)(C)C1	2082989422	ZVMOEYUWWWOFDG-UHFFFAOYSA-N	248.366	4.705	0	10	BJAE	
C[C@H]([C@@H](N)c1cccc(C(C)(C)C)c1)C(C)(C)C	2083543103	DMQPMRCUONOAHH-IUODEOHRSA-N	247.426	4.666	0	10	BJAE	
C1CCCC([C@H]2CCCNC23CCCCC3)CC1	2083812278	LWTRSSGANGARER-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N(C)[C@H]2C=CCCCCC2)C1	2085291118	NSARPPKXMKEMDV-IKGGRYGDSA-N	249.442	4.632	0	10	BJAE	
CC[C@@H](C)[C@H](N)CCCCCCCC1CC1	2210525059	LKCGPNBTKTXMIZ-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@H](CN[C@H](C)CC)C(C)(C)C	2212576964	REDQWSSWUYTANR-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H]1CC[C@H]1C)NCC	2214955936	PNRDLDXHVGGYQL-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)C1(C)CCCCCC1	2215257475	WBYNNMVFLGHSKX-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CC(N)(CC[C@@H]2C[C@@H]2CC)C1	2215257960	XCSJXDAKYBSRQP-PWUWZPNHSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC[C@@H]1C[C@@H]1CC	2215362420	AJXUQQRQGHDSDO-XHSDSOJGSA-N	239.447	4.713	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(O)CCCC(C)(C)C2)C1	2215382977	HJBIYZLNSUEBCU-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CN(C)[C@H]1CCC[C@H](C(C)(C)C)C1	2216258618	QLODHHSPRHNVOS-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
CC1(C(=O)CCCCC(F)F)CCCCCC1	2216504460	VNZRYKUKHPJDTL-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CC(C)c1cc(NCCCCCC2CC2)ccn1	2220888310	QDSXXEXMLMVPOA-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(N)CC1(C)CC2(CCC2)C1	2221041597	TUTWBCMHGGJCFN-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1cccc2ccoc12	2224150692	JKGAAIOZGGQNSY-LBPRGKRZSA-N	244.334	4.688	0	10	BJAE	
CCN(CCCCC[C@@H]1C[C@@H]1C)[C@H](C)C(C)C	2248836666	AHUMRJDOWBMKAU-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)[C@@H](N)CC[C@H](C)CCCC(C)C	2250479902	ZMLBZAANIZQDQQ-ZBFHGGJFSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(CO)C1CC1	2250517604	DIPCSVBYNJXDHO-HOCLYGCPSA-N	240.431	4.638	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@]12CCC[C@H]1CC2	2251142569	VDWYIUCZTAQIEJ-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1[C@@H](CCCC(C)C)CCC1(C)C	2251711282	HWYUGMMHJVJGQC-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
Cc1sc(-c2ccc(F)cc2)nc1C1CCC1	2252704774	JGXWRGPKVGHGIC-UHFFFAOYSA-N	247.338	4.525	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CC[C@H]2CCC[C@@H](C)C2)C1	2253913403	FYAFCPAYQTWUHZ-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)C[C@H]3CCC[C@H]2C3)C1	2253995074	INBQWLMTOVXWCA-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@]12CCCC[C@@H]1CC2	2260529192	ZLMQJENCRWJVTK-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@]12CCCC[C@H]1CC2	2260532628	DHKUDNXBIVMZGW-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@@H](N)C[C@]23CCCC[C@H]2CC3)CC1	2260608512	CNEFLIIRSRKGCN-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@@]12CCC[C@@H]1CC2	2260625735	PYYKDOCWTKFVKV-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@H](N)[C@@H]2CC=CCC2)C1	2261262055	JVVYUEILLIFVCK-QDIHITRGSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CC[C@H](CCN)C2)C1	2261293050	CIULNRYBYDHFKT-IUDNXUCKSA-N	249.442	4.524	0	10	BJAE	
CCN[C@H](CCC1CC(C)C1)C[C@@H]1CC=CCC1	2261494096	WSBLNOUCJOPXOA-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@H]1CC(C)(C)CC[C@@H]1CN	2300699339	FPKDJWNSMSJTLG-LSDHHAIUSA-N	239.447	4.604	0	10	BJAE	
CCC(CC)CCC(=O)C1(C2CC2)CCCC1	2300702034	VGJHIYBHKZLVIC-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(F)ccc1C(F)F	2300826671	PXFXLOXBPYGQEQ-SNVBAGLBSA-N	245.288	4.754	0	10	BJAE	
CCC(C)=CCNC[C@H]1CCCC(C)(C)CC1	2300868270	WVEVUXYIQBSUDQ-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@@H](C)C(C)(C)C	2300871113	BUNUBOAFNSJQIV-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CC(=CC[C@@H](N)[C@H](C)C(C)C)CCCC(C)C	2300874862	OVVPZNIIAOAHHS-HZPDHXFCSA-N	239.447	4.769	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H]1CCC[C@H](C)CC1	2300895922	CFLBTLIUBSYTJM-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C(C)(C)C1CC1	2300907850	XAHANWFHXPNRFV-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](N)C1CCCCCCC1	2301895691	AZBBQVITIKSOMW-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CCCCC1=CCCCC1)NC	2302357254	WKUWHZYRKYQRSV-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)c2ccsc2C)CC1	2303526615	YYBIVUBYRJGQMQ-DZGCQCFKSA-N	249.423	4.583	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC[C@@H]1CCC(C)(C)C1	2304400488	WRQFWJCEKNUDEG-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@](C)(N)C2CCCC2)C1	2304418921	VJAYECATKMBNHH-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CNC(C)C)C(C)(C)C	2307831231	IZATZARNQLSLNK-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC[C@@H]2CC[C@@H]21)C1CCCCC1	2309518028	OKJSHLQUNBKADG-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CCC)[C@H]1CC=CCC1	2311564639	GMEHQDLTOUUCIG-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@]2([C@@H](N)CCCCCCCC3CC3)C[C@@H]12	2312595745	QHMCQNGRVSNNAH-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C[C@@]23CCC[C@@H]2CC3)CC1	2313349762	DHBGRIXTGSIBNF-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCN(CC(C)C)c1ccccc1	2316248512	PWNSTVQCLYIBQP-UHFFFAOYSA-N	247.426	4.975	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H](C)[C@@H]1CC1(C)C	2317935060	YKAFEJYNYYAFQR-FZMZJTMJSA-N	249.373	4.796	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)C[C@@H]2CCC[C@@H]2C1	2318543192	ZPICMJHVYBGOLY-BJWYYQGGSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@@H]1C[C@@H]1C(C)C	2318593914	ZOPUBXWZGUFLOK-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(O)CC[C@H](c1ccccc1)C1CCCC1	2319667982	BYKOCSCBMHQISA-MRXNPFEDSA-N	246.394	4.512	0	10	BJAE	
CC1=C(C)C[C@@H](CC2(CNC(C)C)CCC2)CC1	2320326925	IVILHVPCSAOFEN-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](N[C@H]1CCC(C)=C(C)C1)C1CCCCC1	2320406937	UZYPCNDOYQVKDT-DLBZAZTESA-N	249.442	4.824	0	10	BJAE	
C[C@H](NCC[C@@H]1CCC(C)(C)C1)c1ccccc1	2321524759	AYUYCXDYZKDNNM-GJZGRUSLSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@H]2CCC[C@H]2C)c1	2327676801	BGUFPRCPYQSVIU-UKPHBRMFSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@@H]2CC=CCC2)c1	2327708752	RTDAHIKPAGVMKD-RHSMWYFYSA-N	244.378	4.508	0	10	BJAE	
CCc1ccc(-c2ccc(C(C)C)c(N)c2)cc1	41282549	VKONCYHJFMEDIW-UHFFFAOYSA-N	239.362	4.622	0	10	BJAE	
CCCCCC[C@H](NC)C1CCCCCC1	83779575	WUFATTLTLXNRPY-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCC2=CCCCC2)CC1	86894177	CTRKEQHEPPZTMV-NVXWUHKLSA-N	249.442	4.825	0	10	BJAE	
CCCCCC[C@@H](O)c1c(C)cc(C)cc1C	87177778	BGQMIILGWZXKOP-OAHLLOKOSA-N	234.383	4.616	0	10	BJAE	
C1CCC([C@H]2CCCC[C@H]2NCCC2CC2)CC1	88454950	YKRPGWYRSPDHLJ-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
C/C=C\[C@H](C)Cc1cc(CC)ccc1CC	107473397	RZXRMFXFHYEWGD-UJZCVKTISA-N	216.368	4.566	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(C)cc1OCC	109909230	HKARASOTZVPFMW-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CCCNc1ccnc2ccc([C@H](C)CC)cc12	110103810	ZDPUBTJNAGCGQG-GFCCVEGCSA-N	242.366	4.570	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCCc2ccccc21	112884836	CNZYDTXCFGGDHP-INIZCTEOSA-N	244.378	4.646	0	10	BJAE	
CCCN[C@H](c1ccc(CC)c(CC)c1)C(C)C	128021468	VKEXAZMCDURYQP-KRWDZBQOSA-N	247.426	4.508	0	10	BJAE	
CCCCCCN[C@H](C)c1cc(C)cc(C)c1	132444080	JADNKDHVRCXPEH-OAHLLOKOSA-N	233.399	4.534	0	10	BJAE	
O[C@@H](CC1CCCC1)c1cccc2ccsc12	133693367	ACRGQIMRECOARK-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@H]1CCCC[C@@H]1CNC(C)C	155625535	XAWFVCFNXFQDMR-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)CC1CCCC1	161412600	IPEKZZWXZIQWJR-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCCC[C@H](Cc1ccc(C(C)C)cc1)NC	161745599	IQFQMVICQVCAIH-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)c1ccccc1CC	162192764	PAHUACSVWSKMNL-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1cc(C)cc(C)c1	164139052	KGWNAHOYYKCOCT-CQSZACIVSA-N	232.367	4.703	0	10	BJAE	
CC(C)CCC[C@@H]1CCCc2ccccc2C1=O	165471956	TZMBDBKDURUKPD-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CC(C)CSc1ccc2ccccc2c1	167937317	GRXJEHRYCDTHSQ-UHFFFAOYSA-N	216.349	4.588	0	10	BJAE	
CCCCC1CCC([C@@H](CC(C)C)NC)CC1	168105998	QURVMJCTVYZPNA-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)c1cccc(C)c1	203328321	KJLAYDUNABQVKT-DOTOQJQBSA-N	248.410	4.809	0	10	BJAE	
CCCN[C@@H]([C@H]1CCCCC1(C)C)C(C)(C)C	226832641	QKRRWHLADHYDCI-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CC[C@@H](N)c1ccccc1	227161456	FJSBTJZTHZCYGT-YQQAZPJKSA-N	245.410	4.683	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CCC1CCCC1	229338982	QIHVNTGLNXNLOL-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1N[C@@H](CC(C)(C)C)c1ccccc1	233910523	VEJIWYIFLMLBRD-BMFZPTHFSA-N	245.410	4.552	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1	251065327	LSRYAAWAMYNPIV-HYVNUMGLSA-N	245.410	4.868	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](CNC(C)C)C(C)(C)C	302334273	LGIBESPEOGNJAL-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CSc1cccc(N[C@@H]2/C=C/CCCCC2)c1	302466667	PRLGWPZMAZOXMG-OQHXTRMZSA-N	247.407	4.709	0	10	BJAE	
C[C@@H](CNc1ccc(Cl)c(F)c1)C(C)(C)C	304368741	ZVPFXKPJSMBAGC-VIFPVBQESA-N	243.753	4.573	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCNc2ccccc21	305901485	BQYBGPSCVTVGAS-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1cc2ccccc2o1	308034730	RVSDJRLETWUYTP-WBMJQRKESA-N	246.350	4.539	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@H](CC)CC(C)C	308111113	ZWPDFTUGHMKVQI-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CCC(C)(C)C	310240456	CUVXXDAWHYJTBQ-OAHLLOKOSA-N	234.383	4.670	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CCCCC1(C)C	311062742	KFUBFSQXNFWHFX-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1CCC[C@H](Cn2ccc3c(F)cccc32)C1	311161303	YODYAHXIRRYCFQ-OLZOCXBDSA-N	245.341	4.607	0	10	BJAE	
CCC[C@H](CC)N[C@H](CCC)C1CCCC1	313461789	HYIQDEAELRQVQE-LSDHHAIUSA-N	225.420	4.514	0	10	BJAE	
CCC[C@H](Nc1cccc(CC)c1)C1CCC1	322552633	QCVGJUDTFZPPJD-INIZCTEOSA-N	231.383	4.630	0	10	BJAE	
CCN[C@H](CC/C=C/c1ccccc1)C(C)(C)C	324331729	WLMVVBTUTYYXRV-LRFDDAOPSA-N	245.410	4.504	0	10	BJAE	
CCC[C@@H](N[C@@H](C(C)C)C1CC1)c1ccccc1	324478826	BMNMSEIXRODKDW-SJORKVTESA-N	245.410	4.552	0	10	BJAE	
CC(C)CCCCCC1(CNC(C)(C)C)CC1	383207495	BHPOXELIZBEZEJ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
C/C(=C\CCNC(C)C)C[C@@H]1CCC[C@H](C)C1	383508346	KRSZADLAZYHWQO-VLYJJQRNSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@H](C)c1ccccc1	384332528	UXNSJXJBIFMBPE-WMLDXEAASA-N	248.410	4.758	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H]1CCCC[C@H]1C	384858160	NLEOPZNQNOVQJU-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(Nc2cccc3ccsc23)CC1	386190312	BSGODJAKFOJMLU-UHFFFAOYSA-N	245.391	4.892	0	10	BJAE	
Cc1cscc1N[C@H]1CCCC[C@H]1C(C)C	387359384	UKRSAEDGISKLFS-STQMWFEESA-N	237.412	4.683	0	10	BJAE	
CC[C@@H](Nc1ccc(SC)cc1)C1CCCC1	387444347	LIYYGAZJHVOBKS-OAHLLOKOSA-N	249.423	4.789	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@@H]1C[C@H]1CC(C)C	387784381	DYZCABSRGDPRIM-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)[C@H]1CC1(C)C	394061996	ANSXUABQKCYJMF-CVEARBPZSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CC2CCC1CC2	394353001	IELDXARCTLOOTI-LMPOIIKSSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CCNc1ccccc1C(F)(F)F	394401409	LQSKNPXPYIICFJ-JTQLQIEISA-N	245.288	4.554	0	10	BJAE	
CCCC[C@@](C)(O)CCCCCC(C)C	394527471	GTIIHZDLYMFFGH-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCC[C@H](C)CC1	394859453	KOCYLRNNNATOJZ-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
CCCc1ccccc1-c1ccc(Cl)c(N)c1	395086856	WAJYGFUGRQEKEL-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCCCC[C@@H]1C	395240960	UKNIGSFTXHSCQE-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCOc1csc2cc(Cl)cc(CC)c12	396185214	DFQXWWFWMQZEFP-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1csc2ccc(C(F)F)c(CC)c12	396217828	GRZADMYPTUTCND-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H](CC)CC(C)C	401119766	NTFYRXWKMIPHHW-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C1CC1)[C@H](C)CCC	405729457	LJAJSITYMVKMCP-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](Nc2ccc(C3CC3)cc2)C1	690103363	VAMXDIBCQYAQEA-LAQFHYBYSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](CC)C[C@H](C)CC	695061883	PGRXWZJHBDSNEX-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cccc(F)c1C	696596307	BAHFFJMDNSQURN-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)C1CCCCC1	696807285	IHOCIWPDEATAJB-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CCC(C)(C)CC	696809125	UAICSDZPODSAJH-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@](N)(C[C@H]1C[C@H]2CC[C@H]1C2)C1CCCC1	704977125	YQIUHYVPMIIJTG-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CC(C)CNCC[C@H](C)C[C@H](C)CC(C)(C)C	709080530	OMNMCQAUGKSJHP-GJZGRUSLSA-N	241.463	4.721	0	10	BJAE	
CCCNC[C@@H](CCC)C[C@@H](C)CC(C)(C)C	709121949	HIOILGIRIJAWNT-CABCVRRESA-N	241.463	4.865	0	10	BJAE	
CCC(CC)C[C@@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	710764762	JQBRWMHUOMRFNJ-XNRPHZJLSA-N	239.447	4.602	0	10	BJAE	
CCc1cc(N[C@@H]2C[C@H]3CC[C@H](C3)C2)ccc1C	711122240	PPZGHZLZLNHEBP-HALDLXJZSA-N	243.394	4.548	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)(C)C)C1(CC)CC1	711148407	GQVLPVXKGNMFOX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CNCC(C)C)C[C@@H](C)C(C)(C)C	711172427	JZIDXFWLZCAPAE-HUUCEWRRSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](CC(=O)CC1CCCC1)C(C)(C)C	711176627	IDPCLWNJRUJZPL-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
C[C@H](CC(=O)C1(C)CCCCC1)C(C)(C)C	711210512	YNMORVLBFBPBMI-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(C[C@@H](C)C(C)(C)C)C1	711223487	GFTYPEDSTZYKIH-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@H](C)C(C)(C)C	711228962	IEXNAQPCCIPGSC-QWHCGFSZSA-N	226.404	4.700	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC[C@@H]2CCCC[C@@H]2N1	712351708	IFBPSZNWVJCGOP-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC(C)(C)CC)NC	713136615	UNBIFZGNECVZMU-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC(C)(C)C(C)C	713189441	IMPHJQKQSZPEMM-KGLIPLIRSA-N	227.436	4.602	0	10	BJAE	
C=C/C=C/CCC1(CNCCC)CCC(C)CC1	713719507	ODKIGLRBWDNGJT-VOTSOKGWSA-N	249.442	4.705	0	10	BJAE	
C=C/C=C/CCc1ccc(C2CCC2)cc1	713753977	TUAMMEYSCASOPU-ONEGZZNKSA-N	212.336	4.629	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CCC(C)(F)F)NC	713927034	WNHZRFWECABOGF-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CC[C@H]2CCCC[C@@H]21	714279761	CPPMMHHEUPPBRM-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC/C=C/C[C@H](CC)c1c(F)cccc1F	714551350	CAHAGAIEIZECDJ-QRGHLMKCSA-N	224.294	4.815	0	10	BJAE	
CC(C)CCC[C@@H](N)c1cscc1C(F)F	717195361	XFVZAKAZHMYGOO-LLVKDONJSA-N	247.354	4.512	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CC[C@@H]3CCC[C@H]32)cc1	722074585	IYAGQOAPGAPQIE-USXIJHARSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC1(C)C)CC(C)(C)CC	723153581	NQTGTJFUFKTOSX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1Nc1ccc(C2CC2)cc1	821906176	ODBRIONNKMAFNI-IIYDPXPESA-N	243.394	4.801	0	10	BJAE	
CCC(CC)CCC(=O)[C@H](CC)CC(C)C	1900696443	JVXGDURZPSYTIR-CQSZACIVSA-N	226.404	4.844	0	10	BJAE	
CSc1ccc(N[C@@H](C)[C@@H](C)C(C)C)cc1	1901627803	VBVSVQZFQAZNCZ-RYUDHWBXSA-N	237.412	4.501	0	10	BJAE	
CCCCCCc1nc(C)cc2sccc12	1901883993	APXHRWAQGIIXAP-UHFFFAOYSA-N	233.380	4.728	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1CCC(C)(C)C1	1902280341	QFMHCNKQHZHJGK-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCCC[C@@H]1C	1905373527	HEXBIVBJQHWOBM-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)CC(C)(C)CN[C@@H](C)CC	1905381290	IEVLNVTWIRXFMX-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)CC1CCCCC1	1908544793	JTQVPOWMVMNZIR-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
C(=Cc1ccccc1)CNc1cccc(C2CC2)c1	1911921750	LMSWZPLUDHUDGO-UHFFFAOYSA-N	249.357	4.689	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@H](C)CC(C)C	1911923830	MRKSKJGUPJGUMP-HZPDHXFCSA-N	237.431	4.559	0	10	BJAE	
CCC=CC[C@@H](CC)c1ccc(C)s1	1912036683	RWMWIHGYZQFOCE-GFCCVEGCSA-N	208.370	4.906	0	10	BJAE	
CC=CC[C@@]1(CNCCC)CCC[C@@H](CC)C1	1912128947	AIYALHXJJRZPCQ-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC1CCC(CC(=O)C2CC3(CCCC3)C2)CC1	1912619562	ZGLFLYQJLSQKJJ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2CCC[C@@H](C)C2)C=CCC1	1916338483	XIFVZSGPSXMZLM-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(N)CCC2(CCCC2)C1	1916415531	PQKNRMYYVGELFV-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H]1CCCC(F)(F)C1	1919538938	QMKWQVWWGWQUSZ-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CC(C)[C@](O)(CC1CCCCC1)c1ccccc1	1919934002	JDIBPWKZQPWWDT-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CCc1ccc([C@@](O)(CC)CCC=C(C)C)cc1	1920053495	ZVZADATYCXPEBN-QGZVFWFLSA-N	246.394	4.593	0	10	BJAE	
CC(C)[C@](N)(C[C@H](C)C(C)(C)C)c1ccccc1	1920486172	HCQLPSQIVFLGII-WMLDXEAASA-N	247.426	4.569	0	10	BJAE	
CCCC1CC(C(=O)c2ccccc2C2CC2)C1	1921270365	CDGVCCJADZRPKZ-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CCCC12CCC2	1921489218	IZZQRBNMOOKEJA-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)C=C1[C@@H](CN)CCCC12CCC2	1924833666	IGFPHZMQZUTMRO-LSDHHAIUSA-N	249.442	4.524	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1CCC[C@@H](C)C1	1926213325	SKRDJKSNPUWPID-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
CCC1CC(Nc2c(Cl)cccc2Cl)C1	1932138380	BLOGNGKLNNHBCN-UHFFFAOYSA-N	244.165	4.594	0	10	BJAE	
C[C@@H](CC[C@@H]1C=CCC1)c1ccccc1	1932593130	PHAMKDRLBGGWOZ-UONOGXRCSA-N	200.325	4.537	0	10	BJAE	
CCCCCC[C@H](N)c1sccc1C1CC1	1937051260	TUYVDFBLYWIFHO-ZDUSSCGKSA-N	237.412	4.596	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1(C)CCCCC1	1940405365	HSGAXGBGEXWODX-MRXNPFEDSA-N	239.447	4.892	0	10	BJAE	
CC(C)(CC(=O)CCC[C@@H]1CC1(C)C)C1CC1	1940876702	MPPUKMVHVLJQKS-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNCC(C)(CC)CC	1941358945	VFHZBWRNRRODJF-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCCCCN[C@H]1CC(C)(C)CC2(CC2)C1	1943081833	DZAGTRZZDICGTM-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)NC[C@@]1(CC(C)(C)C)CCCC1(C)C	1944476077	SVVPKLCAZCTPKV-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)C)CCCC1(C)C	1944481299	RNRFAFXFOZRCGY-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](O)C(C)(C)C1CCCCC1	1944619842	ZLJZTJVZRSJNFD-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)CC1CCCCCC1	1944791442	UQJOEPPBPKJEJK-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CSc1ccccc1N[C@H]1CCC[C@H]1C(C)C	1947470946	WHAXKLZGOCZMAV-STQMWFEESA-N	249.423	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)[C@H]1CCC[C@H](CC)C1	1947515280	LJZLCXPSAAPBRJ-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CCCCCC1CC1	1947516889	WVBIVPMDJKWQQC-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C1=CCCCCCC1	1948951476	DULGPZBABFNVKW-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCCCC[C@](C)(N)CC1C[C@@H](C)C[C@H](C)C1	1949059900	IGJMHOSVKJVSPL-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CCCCC1CC1)CC1CCCCC1	1949908281	WPWUQHZDUCVHKZ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1CC12CCCCC2	1950641127	LGFIGRNQFHVHRJ-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@]1(CO)CCCC(C)(C)CC1	1950907837	ICTUGFPFDIWMKZ-INIZCTEOSA-N	238.415	4.702	0	10	BJAE	
CCN(C[C@@H]1CCC(C)(C)C1)c1ccccc1C	1963273034	WSDGHUXHGCUQIL-OAHLLOKOSA-N	245.410	4.648	0	10	BJAE	
Cc1ccc([C@H]2CCCN2[C@@H](C)CCC(C)C)o1	1964148776	ROAXRMLOCMCBRD-DZGCQCFKSA-N	249.398	4.550	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@H]1NC1CCC2(CCC2)CC1	1965978510	KBFLPANQGPMROT-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](NC[C@H]1CCCCC12CCC2)C1CCC1	1967865390	RTOCKDWSGPNSFR-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@@H]1CCC2(CC2)C1	1968277701	XRVIXWCZUQIPTK-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2CCC(C)(C)C2)c1	1968307487	KUDYWLJERLYCJD-CQSZACIVSA-N	232.367	4.509	0	10	BJAE	
Cc1ccc(F)cc1NCC[C@H]1CCC[C@H](C)C1	1968312879	RTFJIRPHXZUJCB-GXTWGEPZSA-N	249.373	4.762	0	10	BJAE	
Cc1ccc(OC[C@H]2CCCC3(CC3)C2)c(C)c1	1968395882	CLOCFXWDHQCJQW-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCC12CCC2	1968673751	MVRHTRKUFWGJMW-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC3(CCC3)C2)c1Cl	1969847380	YQRXOKDLKDBGME-GFCCVEGCSA-N	249.785	4.783	0	10	BJAE	
CC[C@H](Nc1ccccc1SC(C)C)C1CC1	1970343893	QUVAEHLAILMQAM-ZDUSSCGKSA-N	249.423	4.788	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCC(C)(C)C[C@H]1C	1971489451	NZPJFDAEOWENDO-QLFBSQMISA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@H]1CCC2(CCCC2)C1	1973447400	ROOIATMLKOTRDD-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCCCCCC(=O)c1csc(C(F)F)c1	1978583766	ZBKYYEQLTIXHDU-UHFFFAOYSA-N	246.322	4.839	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@H](C)CC)NCCC	1984637999	CWMFSXKEIKTILF-ZRJDUIELSA-N	225.420	4.537	0	10	BJAE	
Cc1cc(N[C@H]2CCCCCC23CC3)cs1	1985664507	IWIAQMVWHQFAKX-ZDUSSCGKSA-N	235.396	4.581	0	10	BJAE	
CCC1(CC(=O)c2sc(C)cc2C)CCC1	1988436274	JDZXQFXUYLLINP-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
C[C@H]1CC[C@@H](Cn2ccc3ccc(Cl)cc32)C1	1996230635	IMOTUCRZRLPLBC-NWDGAFQWSA-N	247.769	4.731	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)C1CC2(CCC2)C1	1998648061	AXPVSRSRWHUYFN-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)[C@H]1CCCC(C)(C)C1	2000036376	ZJOSQSIPOYLYJH-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@H]1CCC[C@H](C)C1	2000324449	SVOCNAIHNAGKJS-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNC)[C@H]1CCCC[C@@H]1CC	2000507403	FZZFEBNDGZKWGY-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@H]1C=CCCC1	2000523715	RNRDZPRHUMAGFF-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCNC1CC2(CCCCCC2)C1	2000673314	UBSUSXRWAAXWIK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@H]1CC12CCCCC2	2001265939	PXYMQBUMICOIGG-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1CC(C(=O)C2(C)CCCCCC2)C1	2002322656	ALHFTJBFZRRQMR-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CCC2CCCC2)C1	2002997166	APVQYKFNATYONA-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CCC([C@H](C)NCCC)CC1	2003069324	WNJURZPLXQNJII-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CN(C)C1CCCCCCCC1	2003165990	BWVZBPDBYQQLIO-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C1(C)CCCCCCC1	2004920382	JODRCGMPHCHZQC-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C1(C)CCCCCCC1	2004937188	LJRBEMVTAKQWRG-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCC1CCC(C(=O)[C@H]2CCC[C@H]2C)CC1	2006728300	TXTCOKZOJJDHSK-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(NC2CC[Si](C)(C)CC2)cc1C	2006996857	BCMIPIAATHWCCE-UHFFFAOYSA-N	247.458	4.586	0	10	BJAE	
CCC(CC)C[C@@H]1CCC(C)(C)CC[C@@H]1NC	2009405617	ALEVSFCOAYJTNW-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@]1(C)CC1(C)C	2009628898	PBIOJXBJUCICES-BIYNOUFRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCC(C)C)C1=CC[C@H](CC)CC1	2010711898	DXWOABVFPIAMDO-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C1=CC[C@@H](CC)CC1	2010716078	LXRXQBHWHOXZRN-YCPHGPKFSA-N	237.431	4.667	0	10	BJAE	
CC(C)[C@H]1CC=C([C@](C)(O)CC(C)(C)C)CC1	2010719441	FKUGTBAKFZGWDF-XJKSGUPXSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H](C)C[C@@H](CCC(C(C)C)C(C)C)NC	2015358156	OSLZSPPBQWIJDZ-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@](N)(CC(C(C)C)C(C)C)C1CCC1	2015399838	OCHRJPIKNZAXMS-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CC[C@H](CC)C2)CCC1	2015643528	CWXPMCBNKDGGDL-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1(CC(C)C)CC1	2015741449	AZGAGBZYDWWIMZ-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)CCC=C(C)C	2016143380	FDIWEYLHWUPBNV-OAGGEKHMSA-N	237.431	4.680	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)C[C@H]1CC[C@H](C)CC1	2017652538	ILPRUWQLQHPQTC-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCNCC1CCC(CCC)CC1	2017655245	KZFJBQDHYZSGRW-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC[C@H]1CC[C@H](CC)CC1	2017723514	UIWMBPVRXBSCIR-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1[C@@H](C)CCC[C@H]1C	2018074070	FIFQMZIZJYADBP-QXSJWSMHSA-N	239.447	4.760	0	10	BJAE	
CCC1(C[C@@]2(O)CCC[C@H](C(C)C)CC2)CC1	2018967288	KALZJYRHBIIPKZ-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](CCCCCC(C)C)NC	2022381367	AVOJLCHXAQIKSK-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1ccccc1C(C)C	2022493308	QIXQHTPBSRUCLZ-UONOGXRCSA-N	231.383	4.658	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1C[C@@H]1C1CCCC1	2022554461	OLPPOZNDGMWCHC-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)CCC1CCCC1	2022556883	JJAUNRYNXNOIPO-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)NCCCCC(C)(F)F	2023295572	GDYVZJRERCTVBD-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCCC(=O)C2)C1	2024091953	MNSBHSCCZUTKNI-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC(C)NCC(C)(C)C[C@@H]1CCCC(C)(C)C1	2024095645	RUXKNYLFABKGCQ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)N(C)CC1CC(C)(C)CC(C)(C)C1	2024099862	WRGQOAXBKNHEID-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CC(C)(C)CCC1=O	2024124768	OSAFFJVAVALDCL-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
Clc1ccc2[nH]c([C@]34CCCC[C@H]3C4)cc2c1	2024286480	KZUKJZCPGZNHIX-NHYWBVRUSA-N	245.753	4.653	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCC1CCCC1	2026167344	QOAUETIESUEVCR-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)c1cccc(C2CC2)c1	2028553096	VQXPBOYRORRIAK-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](NC)c1ccc(C2CC2)cc1	2028594605	YQLZVGLPUAPVGF-DLBZAZTESA-N	245.410	4.507	0	10	BJAE	
CC1(C)[C@H]2CC[C@](N)(CCCCCC3CC3)[C@H]1C2	2028642780	DLTPVNLMFLCURB-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)CCCC1	2029600619	NQVPTSCVEGGSJD-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H]1CC(C)(C)CC2(CC2)C1	2030279712	NGMQYAYVTIFETJ-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC(C)CC[C@H](NC[C@]1(C)C=CCCC1)C1CC1	2030351489	KROQIPGFJIHKCI-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
CC(C)(CCN[C@]12CCCC[C@@H]1CCC2)C1CC1	2031789247	PRFBYTUCYSPNCV-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
C(CNC[C@]12CCCC[C@@H]1CCC2)CC1CCC1	2031809171	PQKWKJRJPOODCJ-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
C1CCCCC(NC[C@H]2C[C@@H]3C[C@@H]3C2)CCCC1	2035892215	OYWCVBOGZDXUIK-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@](C)(N)[C@H]2CC3CCC2CC3)CCC1	2037101736	IYPQNFCNXNNQQU-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CCCC2CCC2)cc1C	2037143875	WBIHJDJUHBSGLD-KRWDZBQOSA-N	245.410	4.582	0	10	BJAE	
CC1(C)CC[C@@H](N2CC=CCC23CCCCC3)C1	2037677600	FJGWBVBTJCQKOM-OAHLLOKOSA-N	247.426	4.530	0	10	BJAE	
CC(C)NCC(=C[C@H]1CC12CCCCC2)C(C)C	2039079807	VDMFLZOLRNIXJJ-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC=C(C)C)C1CC2(C1)CC(C)(C)C2	2039462402	SBBGKBFJKSQWNJ-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N[C@H](C)C23CCC(CC2)C3)c(C)c1	2039860908	ZTNXFHYOTRFBLF-HPUBIQBYSA-N	243.394	4.684	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](CC2CC=CC2)NC)CC1	2041379312	KEXSTGPGHDNRPQ-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@@H](C)C1CCCCC1)C1(C)CC=CC1	2042020180	VHDNOTNAVGNEEP-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H](C)c2ccoc2)CC1	2043059423	KAGSTRUQEIDEOR-IIAWOOMASA-N	249.398	4.535	0	10	BJAE	
CCc1cc(N[C@H](C)C2CC(C)(C)C2)ccc1C	2043546837	LDCGRNQVERQXFS-CYBMUJFWSA-N	245.410	4.794	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2CCC=CCCC2)C1	2045321399	VKJWMSNFCCSIQJ-IKGGRYGDSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)C[C@@H]1CCC=CCCC1	2045330862	ZPARWEJVEAGWPB-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
N[C@@]1(C[C@H]2CC23CCCCC3)CCC=CCCC1	2047005995	XKTGHVUMYRHVRW-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@@H]1CCC12CCC2	2047930667	AVZQZGNZEOKSEM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](N[C@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2048381826	IMAJLNKPQOUKTM-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2048386166	XCQSMLUOQKAXGN-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
CC1([C@@](C)(N)[C@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2049224166	BQVOMXCCMWJDBW-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@H]2C=CCCCCC2)C1	2049562346	XGVYRWANZODFHZ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc2c3c([nH]c12)CCCCCCC3	2049676629	VRKAOTHVBFJBMZ-UHFFFAOYSA-N	241.378	4.779	0	10	BJAE	
CN[C@H](CC[C@H]1CCC2(CC2)C1)CC1CCCC1	2049852393	HGWUNDIXCOZWPX-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](CC1=CCCCCCC1)c1ccc(F)cc1	2050450476	QVZFHGDGKMNTQL-INIZCTEOSA-N	248.341	4.530	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)c1ccccc1C	2050451568	WMIGLRZQIOKNCI-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCC1CC([C@H](C=C2CCCCC2)NCC)C1	2056873110	KNCNAZSXTCKZJJ-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CCC[C@H]3C[C@H]23)CCCCC1	2057361425	QBVZAYFMVYJYGC-OFQRWUPVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2CC23CCCC3)CC1	2059003546	OWMBZURGXNOJQP-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C1=CC[C@H](C)CC1	2060925635	MDRGEFOVXYVWBP-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CC1(CNCC[C@@]23CCC[C@H]2C3)CCCCCC1	2061575962	YMDJMOLNJGIDES-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)CC[C@]12CCC[C@@H]1C2	2061603182	RQOGIGVOZYBUAA-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2C[C@H]3CCC[C@@H]3C2)C1	2063490166	IUFLUCCLXVAJPT-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NCC12CCCC1CCC2)C1CCCCC1	2063903853	ZMXJUZGQZOTVMY-OOHWJJMZSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)C2CC3(CC3)C2)C1	2064494964	VQWNUEXASHHALU-HLIUYOAVSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC12CCC(CC1)C2)C1(C)CCCC1	2065299993	HPTIRBUVVWYJSG-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CC[C@@H](Nc3ccc(C4CCC4)cc3)[C@@H]1C2	2065657393	MRZBBNPARHRVNJ-GVDBMIGSSA-N	241.378	4.555	0	10	BJAE	
CC(C)C[C@@](N)(C[C@H](C)C(C)C)c1ccccc1	2069018850	LKHZTBKYJMGEDJ-DOTOQJQBSA-N	247.426	4.569	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC1(CC2CCC2)CC1	2069582070	XZSILEWZNFNXBF-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN(C[C@@]12CCC[C@@H]1C2)C1CCCCCCCC1	2070946233	FHUNYDZLRLXYTK-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCC3(CCC3)C2)CC1	2072796956	UNHNRDZHANOAST-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2C[C@@H]3CCCC[C@H]3C2=O)CC1	2072879374	TZVQOFOESMOBQX-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
C1CCC(CC[C@H]2CCNC3(CCCC3)C2)CC1	2074140323	ZVYQKBUIQJSYPQ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC[C@H]([C@@H]2CCNC3(CCCCC3)C2)C1	2074142652	UZRYYLDRDONWNQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CC(=O)c2coc3ccccc23)CC1	2074568711	JPWVSXNYYUJZCV-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CC=CCC12CCCC2	2074898048	ACSMPAUPVSJBEP-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
CN(C[C@@H]1CC=CCC1)[C@@H]1CCCC(C)(C)CC1	2075168274	PUZMUTPKUMKACY-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CC(C)(C)C1CCC(N2[C@H]3CCC[C@H]2CC3)CC1	2075228859	YXJNMSLXGDTNED-PYBGIAKNSA-N	249.442	4.608	0	10	BJAE	
C[C@@](O)(CCC1=CCCCC1)C12CCC(CC1)C2	2075715841	IDZCUQSSWXDSTD-AQFXKWCLSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1cccc(C)c1F	2077189429	HWZZLQUFXFNZBH-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
C1=C(CCNc2ccccc2C2CC2)CCCC1	2077265277	ODEDAJOPDQVANP-UHFFFAOYSA-N	241.378	4.866	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1C[C@@H]1C1CCC1	2079282402	MFSIZFWDZHVBLA-GOEBONIOSA-N	243.394	4.658	0	10	BJAE	
N[C@H](CCC1CC1)C[C@H]1C[C@H]1C1CCCCCC1	2079644635	MLCJHJUUDFLEFM-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1OC[C@@H]1C[C@@H]1C1CCCCC1	2079801834	IJEMFVAOPFSJOR-JKSUJKDBSA-N	244.378	4.590	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1C[C@@H]1c1ccccc1	2079841972	LTOYBJIKBDUYIY-GDBMZVCRSA-N	244.378	4.576	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)C1CC2(C1)CC(C)(C)C2	2079851163	JUFSKRWCWXWKNM-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)C1	2082983904	WTHCUFGVZIBMFF-HLPPOEQASA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c2cc([C@]34CCCC[C@@H]3C4)[nH]c2c1	2083309989	SZCSJRCUFZIUFV-DYVFJYSZSA-N	239.362	4.616	0	10	BJAE	
O[C@@H](CCCCCCC1CC1)C1CCCCC1	2213579295	DKMCJFLRQAUSQG-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
Cc1cccc(CC/C=C/c2ccccc2)c1	2213824964	NBBWUMGHDVNLCO-VZUCSPMQSA-N	222.331	4.641	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCCCC1CC1)NC	2214585145	TZTWEPADEPRJQS-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC[C@H]1C[C@H]1CC	2215362419	AJXUQQRQGHDSDO-PMPSAXMXSA-N	239.447	4.713	0	10	BJAE	
C[C@H](C(=O)CC1(C)CC(C)(C)C1)C1CCCC1	2215441294	GSYWHXWCLAWCEH-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](C)(N)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216746125	BVCFHEABIKCYQI-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
NC1CCC(=CCCCCCCC2CC2)CC1	2216862211	JOILTUFGJRDIIQ-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CC[C@H](C)NCC1(CC(C)(C)CC)CCCC1	2217145552	QTPXPWBNQJBSEZ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H]2CCC[C@H](C2)C1	2218333877	RWYCWWVVVTVWNF-JJTUDDRGSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C(=O)CCC[C@@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218376098	YLQARZTXPASVPN-ORIJERBGSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@H]1C=CCCC1	2223107348	YHOWLWCVXLWZFB-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CC1=CCCC[C@@H]1NCCCCCCCC1CC1	2223153829	FBKSGWISEAXANY-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1ccc2occc2c1	2224177107	SFKUVBJYWKHQRG-MLGOLLRUSA-N	245.366	4.649	0	10	BJAE	
CCCCC(=O)c1cc(C)c2sccc2c1	2243756689	WILAAOMYCXIBLI-UHFFFAOYSA-N	232.348	4.583	0	10	BJAE	
CN[C@H](C)CC(C)(C)CC[C@H]1CCC[C@H](C)C1	2246728292	QCRZGXXINXQJAA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@H](N)C1CCCCC1	2247159284	MGEQNOBYNRXBRF-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC1(C)C)C1CCCCC1	2247446917	KQHYRTXDGMXWQN-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CCCC12CC2)C(C)(C)C	2247666485	SLTYPDJLHMNBJG-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C(=O)CCCCC[C@H]1C[C@H]1C)C(C)C	2248807240	NNZCRVHNKPONIS-ILXRZTDVSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)CCC1(C)CC1	2248822376	SUTMWEIBWOFOOU-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCCCCC[C@@H]1C[C@@H]1C	2248875377	ZMNNRBJZHJEVPH-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C[C@](C)(N)CC[C@@H](C)CCCC(C)C	2250482341	TXYRGTSIRRMHCI-JKSUJKDBSA-N	239.447	4.913	0	10	BJAE	
CC1=CCC[C@@]1(N)CC[C@H](C)CCCC(C)C	2250482650	VJSXITVCBLHOKR-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)CC[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251709564	YEUWLBCRXUKYQQ-CHWSQXEVSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1ccc2ccsc2c1	2253053436	IPQYWLGTXTVPML-IAQYHMDHSA-N	247.407	4.727	0	10	BJAE	
CC[C@@H](C)c1ccc(O[C@@H](C)C(F)(F)F)cc1	2253062160	WYYIYULCESOSDN-ZJUUUORDSA-N	246.272	4.530	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@H]2CCCCC23CC3)C(=O)C1	2253880258	IDJSDNXDDKZHSJ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H](N)[C@@H]1CCCCC12CCC2	2255009613	BEETYHQHNJQGFX-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1CC1=CCCCC1	2255137205	NFWMYVUNIGQFGQ-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CCCC1CC([C@H](N)CC[C@@H]2CCCC23CC3)C1	2255274978	DTOGQSZGLUGWIH-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
Cc1coc(C)c1C(=O)CCCCC[C@@H]1C[C@H]1C	2257305430	USGXDLADCDLOKZ-BXUZGUMPSA-N	248.366	4.686	0	10	BJAE	
Cc1ccc(OCC2CC3(CC(C)C3)C2)c(C)c1	2259549108	JMVVDQLGSXRTHP-UHFFFAOYSA-N	244.378	4.509	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@]23CCCC[C@@H]2CC3)CC1	2260491587	PRRUBVFECXNMLC-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@]23CCC[C@H]2CC3)C1	2260652526	RYMOJCXWJABODT-YYIAUSFCSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](C)c1ccc(O[C@@H](C)CC2CC2)cc1	2298908636	QZDMSLDOPQGDAA-OLZOCXBDSA-N	232.367	4.768	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@@H]1CC[C@H]1C	2300679843	XONTWEJULAMSRW-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CC12CCCCC2	2300682704	BHENVLYBFLXNRJ-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](N)C1(C(C)(C)C)CCC1	2300690031	DVVWYISLSZWVNK-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCCSc1ccccc1NC1[C@H](C)C[C@H]1C	2300943156	UCIQUHIVQXCMDT-VXGBXAGGSA-N	249.423	4.645	0	10	BJAE	
CCCNC[C@H]([C@@H](C)[C@@H](C)C(C)C)C(C)(C)C	2301827615	CUDDZNAYBJYXNW-SOUVJXGZSA-N	241.463	4.577	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1ccccc1C1CC1	2301834486	ZEGVFSMUHHYNHL-CHWSQXEVSA-N	231.383	4.657	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)C1CCCCCCC1	2301840511	OSXWEYIMIMJUBB-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC[C@](O)(CCCC1=CCCCC1)C(C)(C)C	2302332618	WSOUXXBRWIJRTQ-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CCCC1=CCCCC1	2302350197	YRXZQTCJKILOFR-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303495138	HZXUVPIDWAPZFJ-BFHYXJOUSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](N)c1cc(C)ccc1C(C)C	2307505882	NLKQDXPYDRXCHY-INIZCTEOSA-N	233.399	4.699	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(C2CC2)CCCC1	2307762747	FJHZGMDSRHMNKE-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C12CCC(CC1)CC2	2307901748	ZIJYMAHTXXCJNW-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@H](C[C@@H]2CCC[C@H]2C)c2ccccc2N1	2308260704	XYJBIALGXWHPEI-CBBWQLFWSA-N	243.394	4.801	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@](N)(CC1CCCCC1)C2	2308397894	ZFXLXMCUYGWKGM-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H]1c2ccccc2NC[C@@H]1C	2308414134	VIFBLBAXZWULCF-HOSILWTGSA-N	243.394	4.658	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2311275127	YZWFUWJEMGNRMV-OJLVUWQFSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1C[C@H]1CC(=O)C[C@H]1C[C@H]1C1CCCCCC1	2311610237	IYZVOCMCBOGCHY-DYWXZXKOSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@@]12CCCC[C@@H]1CC2)C1CCCC1	2313345984	LJBBVVOLOKNKJB-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313353038	HKNFZVGUPGQGKO-VVLHAWIVSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1CCC1)[C@@]1(N)CCCC12CCCCC2	2313674027	VWWMFIHERKWMRS-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CC[C@H]2C[C@H]21	2315876731	AURPKBMPTOBIFS-HRCADAONSA-N	243.394	4.576	0	10	BJAE	
CCC[C@](O)(CCC(CC)CC)c1ccccc1	2316236636	XCDBSXQSHGZMAJ-KRWDZBQOSA-N	248.410	4.891	0	10	BJAE	
CCC(CC)CC[C@]1(O)C[C@@H](C)c2ccccc21	2316241022	ZTSSYAMGXHCFOF-DYVFJYSZSA-N	246.394	4.598	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2316501970	IUILPUYUEJDTAP-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
CC(=CC[C@H](N)[C@]12C[C@@H](C)[C@H]1C2)CCCC(C)C	2316571305	RRZJMGALDIFSOJ-NCOADZHNSA-N	249.442	4.523	0	10	BJAE	
CC1CCC(N)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316868829	BHTXKSPULGIQRV-IEKCDTDMSA-N	249.442	4.501	0	10	BJAE	
NC1(CC2CCCCCC2)CCC(C2CC2)CC1	2316873270	LWKPTNZUANYWGN-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Cc1ccc2c(c1)CCCN2	2317835915	SCETZKZYQZXDNJ-UONOGXRCSA-N	245.410	4.515	0	10	BJAE	
O=C(CCCC1=CCCCC1)C1C[C@@H]2CC[C@H]2C1	2318593778	YIDYJPUWWSNSRU-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@@H]1CC[C@@H]1C1CC1	2319582017	STTNJYDCPOQOOP-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)C12CCC(CC1)C2	2320257752	IRTYBXLLWWLLHY-YRTQGLMCSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CCC2)CCC(C)=C(C)C1	2320264981	DJZAREWNBCLSCV-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C=C(C)[C@H]2CC[C@@H](N)CC2)CC1	2320333586	IBRQOTUSNKBMFW-ZACQAIPSSA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@]2(C)C=CCCC2)CC1	2320389678	CLQUMTQZUVRROD-IXDOHACOSA-N	247.426	4.587	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC(C)=C(C)C1)[C@@H]1C[C@@H]1C	2320397660	JVSHGAKTBKSHFX-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@@H]2C[C@H]2C2CC2)CC1	2320408127	HPPDBZGICBYGJY-UNEWFSDZSA-N	246.394	4.518	0	10	BJAE	
CCCCCCc1ccc(C(=O)[C@H]2C[C@H]2C)cc1	2327892940	ATBZOFBKRVHUMA-CJNGLKHVSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H](N[C@H](C)CCC(C)C)c1cccs1	19991966	ASJNPGSSFPAMIF-CHWSQXEVSA-N	239.428	4.614	0	10	BJAE	
CCN[C@@H](c1ccc(CC(C)C)cc1)[C@H](C)CC	35510595	DGBHRDFIBZGCIZ-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)c1ccc(C)s1	36792276	CGLCLLAKAZQPRW-YPMHNXCESA-N	239.428	4.676	0	10	BJAE	
CC(C)C[C@H](C)N[C@H](C)c1ccc(C(C)C)cc1	37118038	CPQPRGNHCKDUAX-LSDHHAIUSA-N	247.426	4.895	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)C2CCCC2)cc1C	70305705	MDQDEPXOYNJNFJ-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cccc3c2CCCC3)C1	80426105	FAROOZKDOWDEFB-ZFWWWQNUSA-N	243.394	4.556	0	10	BJAE	
C[C@H]1CC[C@H](Nc2cccc(Cl)c2)C[C@@H]1C	82835874	PRZNNDNOEVCLKI-MJVIPROJSA-N	237.774	4.577	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](Nc2cccc(F)c2)CC1	86922546	OQJOFKGDUMXZFQ-HIFRSBDPSA-N	249.373	4.843	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](CCC(C)(C)C)NC)C1	87989071	LUQSGGQRAGKAMP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccoc1	94867848	AHZGPYOVCHDRCD-AEGPPILISA-N	249.398	4.535	0	10	BJAE	
CCCCCC[C@H](NC)c1cc2ccccc2o1	103951793	AZKFOLVWGMOYAJ-AWEZNQCLSA-N	245.366	4.664	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCC[C@@H]1NCC	109657919	QSHWGFGVZJVTHI-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](N[C@H](CC)C1CCCCC1)c1ccco1	109951494	PLPGOLIGAWFUKQ-CABCVRRESA-N	249.398	4.679	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)C1(CC)CCCC1	122896805	VRRMKJLYPYBQBO-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CCC2CCCC2)C1	126088161	SJNXBIKPRZZYFC-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@H](CCCC(C)C)C1CCCC1	128255691	KYQHJBKOFCTFLM-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H](NCC)c1csc(C)c1	129404323	YOBPPNPQJOCRHL-CQSZACIVSA-N	239.428	4.678	0	10	BJAE	
C/C=C/CCN[C@H](C)c1ccc(C(C)(C)C)cc1	161685468	RZTZLZCBVGQCHD-PSKZRQQASA-N	245.410	4.601	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)c1cccc(C)c1C	162369326	JBNCNRDJVXFUTD-SUMWQHHRSA-N	247.426	4.780	0	10	BJAE	
CC(C)CCC[C@]1(N)CCC[C@@H](C(C)C)CC1	165690539	HRWXUVKJHUIAKK-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@H](O)[C@H](CC)c1ccccc1	168239454	UNVXRTFJJKKAOV-HZPDHXFCSA-N	234.383	4.512	0	10	BJAE	
Cc1cccc(C2([C@@H](C)F)CCCCC2)c1	220340464	YTQVVVQEJWZBDT-CYBMUJFWSA-N	220.331	4.555	0	10	BJAE	
CCCCC1CCC([C@H](N)CCC2CC2)CC1	229553107	BRMAQYVMVCMXKV-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CCC[C@H](CC(C)C)C1	300308071	HFWFJRKOLIXUMK-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CCCC(C)(C)C	302281299	JEJICGROITUASH-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
N[C@@H](C1CCCCCC1)C(C1CCC1)C1CCC1	302663236	YOJSOBFGDPZLDK-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C)[C@H](CCC1CCCC1)C(C)C	305899304	ZXHHOEYHQMACDU-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)[C@@H]1CCCC[C@H]1CC	308055755	BZMWGEVJMXWLMQ-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@H](C)NCc1csc(C)c1	309227630	SDMFDVMDAGPOFW-GFCCVEGCSA-N	239.428	4.505	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)C1(CC)CC1	310176345	MKMNWUFKVXWSAT-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC1([C@@H](NCC)C2CCCCCC2)CC1	310408132	WCKQAPDIYGKZPB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](c1ccccc1C(C)C)[C@@H](C)CC	310795373	CFBGFUQEJNLKKC-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1C)C1(CC)CC1	310976320	WXULFYOBDNNCFO-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
c1ccc(-c2ccccc2N[C@@H]2CC[C@H]3C[C@@H]32)cc1	311901979	YGCQVMMXOCHLSA-QILLFSRXSA-N	249.357	4.564	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](CCC)C1CCC1	322839970	LBGOCBUCMKRYSN-HZPDHXFCSA-N	239.447	4.904	0	10	BJAE	
CC(C)[C@H](N[C@H]1CCC12CCCCC2)C1CCC1	324786304	JZCHUDYTOPSFLO-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)C1CCC(C)CC1	382667434	PSMFYKKITIHVIB-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CCCCCC(C)C)C1	383152830	HVVSIFIYNBAWCZ-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H](C)CC(C)(C)C	384599290	NLTVZKZBVXLMQC-NSHDSACASA-N	239.790	4.885	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)CC(C)(C)C	384763843	OJXLMCFMNZBONR-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CC1(C)CCC([C@@H](N)CCC2=CCCCC2)CC1	385105577	BUKUCEOVPKIFFE-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C1C(C)(C)C1(C)C	386314990	KBTTYVZKFOUSGQ-CQSZACIVSA-N	246.394	4.526	0	10	BJAE	
C/C(=C/c1ccc(Cl)cc1F)[C@H](C)Cl	388954723	BILLNFSFUUBBCM-TVSKSKRASA-N	233.113	4.510	0	10	BJAE	
CC/C(=C/[C@@H](C)C1CCCCC1)CNC(C)C	393847331	RIRGFFKUNSJENR-ADVGAGMGSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(NCCCCCC(C)C)c1F	394762153	NDNYFJMAPXLABC-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H](C)c1ccccc1	394875916	WOKIANLVUMCLTJ-RDJZCZTQSA-N	247.426	4.724	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H]1CCCC[C@H]1C	395029555	KESRJRNONQFWKE-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCOc1sc2cccc(C(F)F)c2c1C	396233320	BMLAIUPERUNHNO-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C1CCCCC1	398850459	NIZONUQEHMSDLM-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@H](C)C(C)(C)C	399163275	JGSLWBMOGLXGOG-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1C[C@H]2C=C[C@H]1CC2)C(C)(C)C	402117440	BKWGKRCBJJSJDL-AJNGGQMLSA-N	248.410	4.620	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)c1cccs1	402227139	XDLYCHPFTSNJHM-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2CC=CCC2)cc1	402339408	NXKDSTJCOZIQRY-GJZGRUSLSA-N	244.378	4.935	0	10	BJAE	
CC(C)(C)c1ccccc1C(=O)CCCC1CC1	405722454	IPRYNSOCHODBRG-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H](C)[C@@H](C)CC	690188694	HUXBEXBACLPKCQ-UONOGXRCSA-N	247.426	4.966	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC12CCCC2	694472115	GEQSFPJLZCMTSK-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@H]1CCCC2(CC2)C1	695939518	ZCJMVZZDYPXWCQ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)CCC(C)(C)CC	696598662	MSWWPEGAHPPXEH-CVEARBPZSA-N	248.410	4.758	0	10	BJAE	
CCCC1CCC(C(=O)CC2C[C@H]3C[C@@H]3C2)CC1	698038887	YPVQKPHSBCFIFB-UAOKOLBASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H]1C[C@@H]1C(C)(C)C	700009658	AEWQSNDZHJXEIJ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C1(C)CCCCCC1	701099846	ZGKSKJFCEXQBRW-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cccc(C(C)C)c1	701545337	FMZJVMGVYMQEQK-BBRMVZONSA-N	234.383	4.670	0	10	BJAE	
CC(C)CCC[C@H](O)Cc1ccc(C(C)C)cc1	703970918	YOUCCSBYVPHORK-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)CCC1CCCCC1	704615222	UUGDHWZLHWLULV-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)CC(F)(F)CC	704718938	NXTHSADSEPDPID-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CN[C@@H](c1ccc(C)cc1C)[C@@H](C)CC(C)(C)C	704729853	PWPVVUCBYCJORJ-GOEBONIOSA-N	247.426	4.636	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)[C@@H](C)CC(C)C)cc1	704742238	RBFLXDJEMSTWAW-ZQIUZPCESA-N	248.410	4.916	0	10	BJAE	
CCNC[C@H](C1=CCCCC1)[C@H]1CCCC[C@H]1C	704808638	QYDXYUUZIMDNGZ-HYVNUMGLSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)c1cccs1	704888296	DVKQLGROKLDQNY-TZMCWYRMSA-N	239.428	4.529	0	10	BJAE	
CC(C)(C)CCCC(N)(C1CCC1)C1CCC1	705325912	RSCOXGRUDUOQFB-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@](C)(CC)C[C@@H](C)CC(C)(C)C	709105741	MVSLZOPONDJXNX-GOEBONIOSA-N	241.463	4.865	0	10	BJAE	
C[C@@H](COc1ccccc1Cl)CC(C)(C)C	709112353	OOKCVIQLFAWJHS-LLVKDONJSA-N	240.774	4.791	0	10	BJAE	
CCC[C@](N)(C[C@@H](C)CC(C)(C)C)C1CCC1	709243767	NMULCYSUIBFSOO-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CC(=O)c1[nH]c(C)c(C)c1C)C(C)(C)C	711094856	NZPBIRKFCYIJOO-CYBMUJFWSA-N	249.398	4.585	0	10	BJAE	
C/C(=C\CCNCC(C)C)C[C@@H](C)C(C)(C)C	711179847	AHFZNUSPCUYIAE-AAWPKVBNSA-N	239.447	4.641	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cccc(C)c1Cl	713189666	UUKCXDXNTCRCRI-GFCCVEGCSA-N	240.774	4.508	0	10	BJAE	
CC(C)NC[C@@](C)(CC(C)(C)C(C)C)C(C)C	713210799	HXFHDZZHEOVJSP-MRXNPFEDSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CC(C)(C)CC	713236354	VNIPBQPIDZJWSV-KBPBESRZSA-N	227.436	4.602	0	10	BJAE	
C=C/C=C\CCCCCOCc1ccccc1	713642313	CVUDQMCRNHCPQG-ARJAWSKDSA-N	230.351	4.506	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC[C@@H]1C[C@H]1C1CC1	714863036	ALBCCLBFAVDUJR-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CCC(C)(C)CC2=O)C1	717529564	CHPPGJBSYZDCIJ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1(C)CCCCC1	718567895	UIQFFLPSCPLCKE-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)c1cccs1	718599762	IOPRQQSVMZKKLR-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCC(C)=C(C)C	718773349	MVLLLLAWNKWJMP-CQSZACIVSA-N	224.388	4.764	0	10	BJAE	
C[C@@H]1C[C@@H](CC2CC(C)(C)C2)Nc2ccccc21	723545191	YUFWGSGBZNEIKM-OCCSQVGLSA-N	243.394	4.801	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CC[C@H]2CCCC[C@@H]2C1	723604525	DYGJNYOAHZHBHE-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1c(C)csc1C	724947395	YYTQHCDNAQDSFO-GFCCVEGCSA-N	238.396	4.764	0	10	BJAE	
CC1(C)CCC(C)(CNC2CCCCC2)CC1	1178962152	DBOYXOHLEGPDNC-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)cc(N(C)C[C@H](C)CC(C)(C)C)c1	1190457411	LLJHODNKOBWMFU-OAHLLOKOSA-N	247.426	4.812	0	10	BJAE	
C=C/C=C/CCSCCCCc1ccccc1	1473018739	QIZQEFCHTMAGKG-ONEGZZNKSA-N	246.419	4.875	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](C)N[C@H](C)CCC1CC1	1664419000	DBLZFPAWSPCHPL-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC(CC)CC)NC	1900695182	FLZDJVPPHZFVQS-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CC(=CCc1cc(C)co1)CCCC(C)C	1900823517	SBSVTUWMYRTQBW-UHFFFAOYSA-N	220.356	4.903	0	10	BJAE	
CCC1(CC(=O)[C@@]2(C)CC[C@@H](C)C2(C)C)CC1	1909968924	ZNXFWHILFIVGTI-IUODEOHRSA-N	236.399	4.598	0	10	BJAE	
NC1(CCC=Cc2ccccc2)CCCCCC1	1912118056	BHMLAONWAQQKJM-UHFFFAOYSA-N	243.394	4.532	0	10	BJAE	
CC(C)[C@H]1CC[C@H](NC2CC3(CCCC3)C2)CC1	1912732674	REJBIIPTPHONTA-SHTZXODSSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@](C)(O)CCCC(C)(F)F	1919978478	ZBGXDRXXXGFDMI-LBPRGKRZSA-N	236.346	4.533	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)C1CCCCCC1	1920188209	MGOGTVOFSFGUCT-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCC1CC(C(=O)[C@@H]2CCCC[C@@H]2CC)C1	1921274909	KEZSSWXVVOZHOS-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCC[C@H]1C)C1CCCCC1	1924096363	CDPYKESHCXKJTL-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@@H](C)C1CCCCC1	1924101207	QEUANJDVRSUQBY-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1CCCCC1(F)F	1926151927	HVMPZPUARMDPGQ-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)CC(=O)CC1C[C@@H](C)C[C@H](C)C1	1926186393	RZZFRIAHTHEALM-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCC(CC)CCNc1ccc(C)cc1C	1926200724	GSOPHRNRNLFJKK-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CC(C)=CCCc1ccccc1C1(C)CC1	1936385552	USOVMTIRMGQOQF-UHFFFAOYSA-N	214.352	4.637	0	10	BJAE	
CC(C)CC1(C(=O)CC2CC(C)C2)CCCC1	1940677593	FPZCYVLWAKBRIW-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1(CC(=O)CC[C@@H]2CC2(C)C)CCCCC1	1940852268	DFCAORLMRIJPFJ-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@H](CCC)C(C)C	1941263129	MQQCWEKMONTJEV-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
c1ccc2c(c1)ccn2CCCCCC1CC1	1941591782	OBURWKNREIFWIO-UHFFFAOYSA-N	227.351	4.612	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)CC1CCC=CCC1	1941791436	FRBSOPOTSVZLRN-CQSZACIVSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@]12CCCC[C@@H]1CCC2	1944138871	CUSAIBWZXIEWRO-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)CC1(N)CCC2(CCC2)CC1	1944599643	GGKXTXDCDIXYMH-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@H]1CCC[C@@H]1C	1944843828	VAUXMZSQIIRHLG-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1(C)CCCCCC1	1948983979	OYYGZIFGSXDGHY-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CCCC2(C)CC2)C1	1949052294	VKHSBVPLINEOGI-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]1C[C@H](CC(CC)CC)CCC1(C)C	1949663882	ZZBPGQVSHXNNRQ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC[C@@H](N)CC1CCCCC1	1949907022	JWVOZWZNXYGSEV-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(CCC2(O)CCCCC2)CC1	1949930174	CACHBHMYKRIKNV-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC(=O)c1ccc(-c2c(C)cc(C)cc2C)s1	1950543984	LBGFLBFHHYZQEY-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CO)CCCC(C)(C)CC1	1950909805	AEODGDGLKFEMAR-GOEBONIOSA-N	240.431	4.782	0	10	BJAE	
CC(C)(C)CCCC1(CO)CCC(C)(C)CC1	1950916081	GLLCXXIALCJYPR-UHFFFAOYSA-N	240.431	4.782	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)[C@@H]1CCC[C@H](C)CC1	1950929731	JEXDACGRZPZBFG-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)c1	1968408035	LXNCAJFOMAOKHD-MUJYYYPQSA-N	243.394	4.657	0	10	BJAE	
Cc1cc(N[C@@H](C)C2CC3(CCC3)C2)ccc1F	1968590901	ACYOQXIQFMXNIW-LBPRGKRZSA-N	247.357	4.515	0	10	BJAE	
CCCC(C)(C)CN[C@H]1C[C@@H](C)c2ccccc21	1973170842	LZGOFQRWAYDJFC-CJNGLKHVSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](CN[C@H]1C[C@@H](C)c2ccccc21)C(C)C	1973383932	IDWZLQBWLCSQPM-CPUCHLNUSA-N	245.410	4.507	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1ccc(C)c(Cl)c1	1976003708	PQCCEBQBGQGFDD-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
Cc1cc(C)c(C(=O)CCCC2(C)CC2)s1	1978457850	BKOFEGYYSRQBDT-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1CCC(C)(C)CCC1=O	1984463294	YJJFPKBJFMMQRN-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCCC[C@@H](O)c1ccc(Cl)cc1	1984605410	BHHYLFVWYLLLJH-BAABZTOOSA-N	238.758	4.510	0	10	BJAE	
C1CC(=C2CC(C[C@H]3[C@H]4CCCC[C@H]43)C2)C1	1985531058	PZAVAAPMHGCRMY-MUJYYYPQSA-N	216.368	4.703	0	10	BJAE	
C[C@H](CCC1CC(=C2CCC2)C1)CC(F)F	1985533382	VIDQOFIFPLQWQV-SNVBAGLBSA-N	228.326	4.948	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)CCC(C)C	1986948752	RFEKSNUGKWVLAG-LSDHHAIUSA-N	227.436	4.616	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@@H](C)[C@@H](C)CC	1995262205	LOPHUWPIODIYDI-AJNGGQMLSA-N	227.436	4.602	0	10	BJAE	
CCCCCCc1nc(CC2(C)CC2)cs1	1995470565	ZDVDQDCQAZBCQZ-UHFFFAOYSA-N	237.412	4.609	0	10	BJAE	
CCCCC[C@@](O)(CC)C1CCC(F)(F)CC1	1996554653	TYZNJDIBCQOMBM-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@@H]1CCC=CCCC1	1999983267	KSJJBRSRJYBJFY-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H]1CC=CCC1	2000192966	DBDHYIRJLBZMCK-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
CN[C@H](C1=CCCCCC1)c1cc(C)sc1C	2000306315	CFBKHVNJOOMPHZ-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CCC[C@@](C)(CN)C1CCC(C(C)(C)C)CC1	2000483344	LTWJNRSUKXOOTM-XUJLQICISA-N	239.447	4.604	0	10	BJAE	
CCC[C@](C)(CCC1=CCCCC1)CNCC	2000521433	UYHRYRHRAWHLOX-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CCC[C@](C)(CC[C@H]1CC1(C)C)CNC(C)C	2000522703	ICPLJBHNINLTQJ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCCN(C[C@H]1C=CCCCC1)[C@H](C)CC	2000906255	HWEMYBUTOZWRCW-CVEARBPZSA-N	237.431	4.633	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@H]1CC12CCCCC2	2001260112	SMSLNAIOPXYLJB-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@](C)(O)[C@@H]1CCCC(C)(C)C1	2003018823	LEGRQAGXRDQBAK-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCCC(F)(F)C1	2003199097	HGMNTYMQXVLMKC-STQMWFEESA-N	247.373	4.513	0	10	BJAE	
CCCN[C@H](CCCCCC(C)C)C(C)(C)F	2003231961	MIKJYPVCABPLRK-CQSZACIVSA-N	245.426	4.709	0	10	BJAE	
CC[C@H](NC1CCCCCCCC1)C(C)(F)F	2004513043	IGKINHQLBIVNGE-ZDUSSCGKSA-N	247.373	4.513	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC[C@H]2CC[C@H]21	2004796460	WIDSDVAHRHIRNS-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H]([C@H]2CCCC(C)(C)C2)C1	2006663344	INZDMQWNHFLWHO-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H](CCC)C(C)C	2009615771	BSVIJRXWJRYXDS-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1CC[C@@H](C)C1	2009634077	DITRGGHWZDHHJL-ZGWFHWIISA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C1=CC[C@H](C)CC1	2010623890	JOLJFSRULCOQKO-IMJJTQAJSA-N	237.431	4.523	0	10	BJAE	
C/C=C/CCCN[C@@H]1CCCC[C@H]1C(C)(C)C	2011437940	KSPLJLNHNPRNGW-XEVLESSRSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011983364	PWXBNNIZFNRQSC-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](N)(CC)CC1C[C@@H]2CCC[C@H]2C1	2011986044	KPPCYEWKGCBAJA-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC12CCC(CC1)CC2	2012819736	AJDWMLZPJMNSJA-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C(C)C)C1CCC1	2013268106	WYIMGTDMMZDRSB-CVEARBPZSA-N	239.447	4.616	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC1CCC(C)CC1	2013274892	VDSWORNDCJESFA-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](N[C@H](CC)CCC(C)C)[C@@H]1CC1(C)C	2013323430	WMVVZJXFCZNJFK-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](N[C@H]1CCCC(C)(C)C1)C1(C)CCCC1	2014341022	VIWYBBPKXQMOTF-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC(C(C)C)C(C)C	2015279574	YCPWLZXUQFKQIB-INIZCTEOSA-N	242.447	4.882	0	10	BJAE	
CC(C)[C@H](C)CC(=O)C1(C)CCC2(CC2)CC1	2015389116	SPTOOZLNJLFDKV-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@H](CC(C(C)C)C(C)C)C(C)C	2015413189	SVOWIACSZZLZOW-OAHLLOKOSA-N	241.463	4.577	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C1(CC(C)C)CC1	2015748240	ABXAHNCZKCHPHL-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(CC(=O)CC2CCCCC2)CCC1	2017130103	YAWBHBUBOJGSRX-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](NC)C(C)(C)C)CC1	2017722170	DQWVQSQXWCNFTH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@](C)(N)CC(C)(C)C)CC1	2017728741	OPAJGRYHVTWLRZ-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(N)CCC2CC2)CC1	2017731337	QHHBINWMIQATMJ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CCC(=O)CC(C)C)CC1	2017763793	CSQFHJGNYOTVFH-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC1CCC(CC(=O)C[C@H]2C[C@H]2CC)CC1	2017768321	CDRAMZKHFLNRHC-NEXFUWMNSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CSc2ccc(C(C)=O)cc2)CC1	2018920911	ICKBDOCNGHBLLA-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC1(C[C@H](O)C2(C)CCC(C)CC2)CC1	2018970424	PEJPIOANKUYVMU-SLTAFYQDSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@@H](CC)C(C)(C)C)CC1	2019005632	HMFHGIDVWBREAS-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@@H](C)c1ccccc1	2019109546	DCXBVAAPAPUIJQ-HOCLYGCPSA-N	233.399	4.648	0	10	BJAE	
CCCC[C@@H](CC[C@H](C)C1CCC1)NCCC	2019850160	QTILBWKEPOGAPU-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCN(C[C@H](C)CC(C)C)C1CCCCC1	2020534326	PHZZZAUEFFFRNA-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCCN(CC1(CCC)CC1)C1CCCCC1	2020539585	QJWMSAJHDTWARL-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC[C@H](C[C@H]1C[C@@H]1C1CCCCCC1)C(C)=O	2022554618	PWHBEIVWUWLJLQ-VNQPRFMTSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCCCCC(C)(F)F)C(C)(C)C	2023280742	YANFLFGGJMZBKY-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
C[C@H](C[C@@H](C)[C@H]1CC[C@@H](N)CC1)CC(C)(C)C	2023551717	UVYUXEIEOGDEEV-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
Cc1c(N)ccc(C2[C@@H]3CCCCC[C@@H]23)c1Cl	2023976182	QAHLTHVVBHOUMO-GHMZBOCLSA-N	249.785	4.524	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1CCCC(C)(C)C1	2024091412	IHEGZFZMYUQATH-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2CCCC(C)(C)C2)CCC1	2024093548	CLDCUTKMDAFFBF-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc2c(Cl)c3c(nc12)CCC[C@H]3C	2024608124	HOYCLSVLIYGOAV-SECBINFHSA-N	245.753	4.636	0	10	BJAE	
CC1(Cc2nc(C3CCCCCC3)cs2)CC1	2026595865	CWZSTQLEOCVDRI-UHFFFAOYSA-N	249.423	4.924	0	10	BJAE	
C[C@@H]1C[C@@H]1Cc1nc(C2CCCCCC2)cs1	2026596447	GWUSUSMKDDBNTE-DGCLKSJQSA-N	249.423	4.779	0	10	BJAE	
CC(C)c1ccccc1CC(=O)CC1CCCC1	2027499281	OYACCRFKYGZQSB-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCCNC[C@]1(C2CCCCC2)CC=CC[C@@H]1C	2027924445	VJJSPUJMSGAXDC-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)c1ccccc1C1CC1	2028560905	VSZIIYOTJUOCSN-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
Cc1oc(C)c(C(=O)CC2CCC=CCC2)c1C	2028872742	LPRZFSPCGNZTJF-UHFFFAOYSA-N	246.350	4.524	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC1CCC=CCC1	2028873244	WCSVHNNLGZPFSR-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H](NCC2(C3CCCC3)CC2)C1	2029738090	MQUFKIUOQBLIIZ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](c1ccccc1C)[C@H](C)CCC(C)C	2029836198	JPPHWDHMGRNCPT-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
C[C@H](C[C@H](N)[C@@]12CCCC[C@@H]1CCC2)C1CCC1	2031757744	IKFSIJFJMGDNAH-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
C1=C[C@H](N[C@]23CCCC[C@@H]2CCC3)CCCCC1	2031807164	CFXMPKGUEJLDQB-IKGGRYGDSA-N	247.426	4.578	0	10	BJAE	
CC(C)c1ccccc1CC(=O)C(C)(C)C(C)C	2032302598	YWDGTEDQNKGZJV-UHFFFAOYSA-N	246.394	4.604	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)C[C@@H](C)C1CC1	2035594630	UUMJHHFQJFMHID-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CCC(C)(C)c1ccccc1)NC	2036505008	HGQCBYFGBRNJHC-INIZCTEOSA-N	247.426	4.523	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CC1CCC=CCC1	2037210245	VBKRXLWJUBISKU-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CCCc1ccccc1CNCC(C)(C)CCC	2040722999	DWKNNLKIYUBVSO-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@H]1CC=CCC1	2042019982	SVICMHNERMZLBF-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CCC2)C1)C1CC(C)(C)C1	2043541516	SVNMQFKQDXLAJG-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CC(C)=C[C@@H](C)C2)CC1	2045560423	NSTQNMHNRXSZOE-TWRYWWQQSA-N	248.410	4.764	0	10	BJAE	
CN[C@@H](CCCC(C)C)c1cc(C)c(C)cc1C	2045640440	DTKRFCPCRFEOBX-KRWDZBQOSA-N	247.426	4.699	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C[C@H](C)c1ccccc1	2045778672	GJUYNHHIOLWLBM-RDJZCZTQSA-N	245.410	4.515	0	10	BJAE	
CCN(CCC(C)(C)C1CC1)c1ccc(C)cc1	2046575345	OLZDOGOCPNLAJH-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@H]2CC23CCCC3)CC1	2047022256	CDQHDDNEUBEZQS-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CC[C@@H]2CC[C@@H]3CCCN[C@@H]3C2)CC1	2048094697	JHPCVCNXTUSHLM-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](N[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2048381819	IMAJLNKPQOUKTM-TWMKSMIVSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CCC(C(=O)[C@H]2[C@H]3CCC[C@H]32)CC1	2049187925	CKIAFIMIDLENMX-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CC[C@@]1(CNC2CC2)CCCC(C)(C)C1	2049501817	RFGJEQLPZWHCPP-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC[C@H]1C[C@@H]1C1CC1	2049645924	STSNBICGKPGDES-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
Cc1cccc([C@H](N)CC2=CCCCCCC2)c1	2050459575	YLFMSGMWEGXCJJ-QGZVFWFLSA-N	243.394	4.666	0	10	BJAE	
Cc1ccccc1C(=O)CCCC[C@@H]1CC1(C)C	2050459874	BNOPLVOVUGOHGS-CQSZACIVSA-N	244.378	4.784	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CN)CCCCC12CCC2	2053420810	MWOKCQSBZRENJJ-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
CCC1CCC(NC[C@@H]2CCCCC23CC3)CC1	2053433690	JOSQEZNSPFTCGD-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@H]1CCCC(C)=C1C	2055551034	WAQKZUTYEBBZQI-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(Nc2c(C)cccc2CC)C1	2059394409	VIEWUOKILVAMBU-UHFFFAOYSA-N	245.410	4.938	0	10	BJAE	
C=C=CC[C@@H](C[C@@H]1C[C@@H](C)C[C@@H](C)C1)NCCC	2059444676	PSKBNXHEBWCULI-HZMVEIRTSA-N	249.442	4.548	0	10	BJAE	
CCc1cc(SC)c(C(F)F)cc1Cl	2060053884	KITWLUMPPXWRHY-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)C2=CCC(C)(C)CC2)C1	2061114636	AFUYKVNHSOWCNK-IMJJTQAJSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@@H](N)CC2CCCCCC2)CC1	2061141863	YQEFVAHGURNXIA-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
C[C@@H](NCC[C@]12CCC[C@@H]1C2)C1CCCCCC1	2061572954	UUENVNRWMPCYBR-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC23CCC(CC2)CC3)C[C@H]1N	2065339343	LJEOPGLWNHQCET-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)C[C@H]1CC12CCCCC2	2068270803	COULSKOTKPCQNU-LZWOXQAQSA-N	249.442	4.501	0	10	BJAE	
NC1(C[C@@H]2C[C@@H]3CC[C@@H]3C2)CCCCCCCC1	2068772547	QOCJPALMESDSKI-MUJYYYPQSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2CC23CCC3)CC1	2069194001	QDIFZVBHCIQXRQ-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](N)C2[C@@H]3CCCCC[C@@H]23)CCC1	2069267963	JFCULKODQSQKKA-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC[C@@H](N)c2cccc(F)c2)CCC1	2069341358	DVIXIGLRZQTQHV-OAHLLOKOSA-N	249.373	4.576	0	10	BJAE	
CCCc1ccccc1[C@@](C)(N)CCC=C(C)C	2070303119	FOZLPAYFFRGNAF-KRWDZBQOSA-N	245.410	4.559	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)C2CC3(CCC3)C2)CC1	2072802816	BLVSTPURDNHSSU-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@@](C)(N)C2CC=CC2)CC1	2072880245	ZMLWCXDDLGIELA-VMBOVVBDSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1C[C@@H](C)c2ccccc21	2073293180	CODBSHQDQZLHPG-JKIFEVAISA-N	245.410	4.793	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@]12CCCC[C@H]1C2	2074025161	MMBIWZKWTAEBJJ-XIRDDKMYSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccccc1NC[C@]12CCCC[C@H]1C2	2074048367	WOPPSSCFWDVXGP-DOTOQJQBSA-N	243.394	4.631	0	10	BJAE	
C[C@H](N(C)[C@H](C)c1ccccc1)C1(C)CCCC1	2074779596	FRLUELFLKOCNQW-CABCVRRESA-N	245.410	4.648	0	10	BJAE	
CCC[C@H]1CCCCN([C@H](C)c2ccccc2)C1	2074793103	PXIHOQPSBJOLCF-CVEARBPZSA-N	245.410	4.650	0	10	BJAE	
CC(C)[C@@H]1CCCCN([C@H]2C=CCCCCC2)C1	2074795846	AMXDRRXARQBHBB-SJORKVTESA-N	249.442	4.633	0	10	BJAE	
CC[C@H]1CCC[C@H](N(CC)c2cccc(C)c2)C1	2074893584	VQUNCUDTMODWPE-RDJZCZTQSA-N	245.410	4.790	0	10	BJAE	
CCc1ccccc1CN(C)CCC(C)(C)CC	2075207856	NSPCFJHQDXZCBM-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@H]1C[C@H]1C(C)(C)C	2079843606	ROBVXZDDOMJTTL-DSJMHWKBSA-N	248.410	4.620	0	10	BJAE	
CC1(C)CCC(=O)[C@@H]([C@H]2CCC3(CCCC3)C2)C1	2083031109	AXILIYSOOTUMIQ-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2CCCC3(CC3)C2)C1	2083039263	SONODVWVQYRJAR-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC(=O)CC1C2(CC2)C12CC2)CC(C)(C)C	2083535121	BBAOBFXFCIIMLR-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CC[C@H](C(C)C)C1	2085313872	MAMZSPCVDUIPCU-DZGCQCFKSA-N	249.373	4.625	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213284522	IVFVEOWQHLZWEJ-FICVDOATSA-N	234.383	4.518	0	10	BJAE	
Fc1ccccc1NCCCCCCC1CC1	2213582639	KABNDWBACVKZMC-UHFFFAOYSA-N	235.346	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)c1cc(C)sc1C	2215459884	XJLNNTUPLYPAOU-IINYFYTJSA-N	248.391	4.540	0	10	BJAE	
CC1(C)C[C@H]1[C@@H](N)CCCCCCCC1CC1	2216864603	UTWSQVQIJZGFDZ-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CCCCCCCCC1CC1	2216875907	ABUFSJRRKLYKNT-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)[C@@](C)(O)CCCCCCCC1CC1	2216902341	QTZMJNMEKBTLBR-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@@H](C)[C@@H](C)CC	2217127935	JCETYIMPAWGEIX-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
CC1(C)CC(CC(=O)C2C[C@H]3CCC[C@H](C2)C3)C1	2218334428	UPYLCHIOMNWXBO-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
O[C@H](CCCCCCC1CC1)C1CC(=C2CC2)C1	2218717585	FRXVRCWISQYERK-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1[C@H]2CCCC[C@H]21	2218729889	FHONAKCDGBOBHX-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(=O)CC=Cc1ccccc1)C(C)(C)C	2219085116	WTXVPJFXACXMLN-AWEZNQCLSA-N	244.378	4.731	0	10	BJAE	
N[C@H](CC[C@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2220298654	JZXRTOWYKSIJDB-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CC1(C)CC(C)(C)C1	2221024331	AGRMQUXYONZWNJ-ZNMIVQPWSA-N	249.442	4.523	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@]1(C)CC=C(C)CC1	2221615012	XLFZOIHXUNLAEQ-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@@]1(C)CC=C(C)CC1	2221615692	MHPAZLBZYORZDP-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CC(C)(C)C2(C)C)CC1	2221647102	ZMCSAEAEACCEQV-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](c1c(C)cccc1C)C(C)(C)C(C)(C)C	2221995789	QOBFJZLUTXICCB-HNNXBMFYSA-N	247.426	4.636	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1	2222935203	XLJPRIGCCCAWAA-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCCCCCCCC1CC1)c1ccoc1	2223114685	DFGVVKYWEUWTNI-CQSZACIVSA-N	249.398	4.681	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1sc(C)c(C)c1C	2244786260	ZHPMGSNUIFVANF-OLZOCXBDSA-N	240.412	4.533	0	10	BJAE	
CC[C@H](C)[C@H](O)CC[C@@H](C)CCCC(C)C	2244852444	UMNQSWMRVAGZRK-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCCC[C@@H]1C[C@H]1C	2247176768	RNPQKAZIDRZZFZ-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@H]1C[C@H](N)CCC1CCCCC1	2247312182	SOLKWGXSTPDRMN-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(O)c(CC2=CCCCC2)c1	2247560553	YTBPJYJOVZYXEU-UHFFFAOYSA-N	230.351	4.559	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CCCCC[C@@H]2C[C@H]2C)C1	2248878616	JTSWLXNQALZAEF-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1CCCC(C)(C)C1	2250360435	WZCOCGRJNWBCGF-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@@]12CCCC[C@@H]1CC2	2251220066	LGYNTGFZNQHAEU-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](N[C@H]1CC(C)(C)CCC1(C)C)C(C)(C)C	2251666831	SEGWECWJMILGJT-STQMWFEESA-N	239.447	4.616	0	10	BJAE	
CC(C)CCN(CCCC(C)(C)C)CC(C)C	2252639519	HODMVKSPYPUCKC-UHFFFAOYSA-N	241.463	4.817	0	10	BJAE	
CN(CC[C@@H]1CCCCC12CC2)C1CCCCC1	2253858863	WPACFAHPCOZKNB-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CCC=CCCC2)C1	2253968743	KRYAYDDFXMCVNW-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C2CC3(CC(C)C3)C2)CC1	2254452881	GOZCDUNGWAZSJW-WERHSETGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@]1(C[C@H]2CCC23CCC3)CCCCCN1	2254960125	JTPHJUGMZJMXNK-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CCCCN(C[C@H]1CCC1(C)C)c1ccccc1	2254972438	COPZVUPWUJYFHH-OAHLLOKOSA-N	245.410	4.729	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)CCCCC12CC2	2257249944	XRKHXRYGTAAGQT-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)[C@@H]1CCCC12CC2	2257255884	KYMRIIQGVFETEG-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](CNc2cccc(C(C)(C)C)c2)C1	2257956576	MZCJXBNDNXDNKE-UONOGXRCSA-N	245.410	4.832	0	10	BJAE	
CC1(C)CCC[C@]1(CN)C[C@]12CCCC[C@@H]1CC2	2260678452	LKDXPVBRSGRLGB-DJIMGWMZSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](CC1CCC1)[C@](C)(O)C1(C)CCCCC1	2298848581	JACWYBNMSOHHCE-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CCC1)C1(N)CCCCCCCC1	2298869721	LLTWUDORKVQZQG-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)CC[C@](C)(O)CC1CCCCC1	2300682840	CQKVUBNUJRLIMA-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H](C)C1CCCCC1	2300686879	VYKRPMBJLHUQRG-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CCC(=O)C1CCC(CC)CC1	2300701968	USKDBVZWHRWJGS-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC=CC[C@@H](NCCC)C1(C)CCC(C)CC1	2300921175	NLXLLKWKWIIRJI-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
CC[C@](O)(CC1CCCCCC1)C1CCCC1	2301138475	WJMIMTQLDJEQTL-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CCCCCC2)[C@@H]1N	2301247048	MHRWRRQYNAWWKF-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1cccc(C2CC2)c1	2301832716	MRTBEZDHKHEQRL-STQMWFEESA-N	231.383	4.657	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CCCCCC1CC1	2302611727	DVRSYCYAMWMOQU-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303509038	VBZVGNKDZMHWIR-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCCC[C@H]2O)C1	2304397052	RBAWOEUAJMWOQU-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C)[C@@H](CC)CC[C@@H]1CCC(C)(C)C1	2304411723	MEZWLRKUYBFIPR-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC[C@@H]2C)c1F	2307559663	RIIOKGPAHGRDNK-AAEUAGOBSA-N	235.346	4.550	0	10	BJAE	
CCC[C@H](CC)CN1CCCC[C@@H](CCC)C1	2307749171	HPQVHHAAKMFMCX-JKSUJKDBSA-N	239.447	4.715	0	10	BJAE	
CCCCN(C[C@H](CC)CCC)C1CCCC1	2307752048	NJPKYKIXKCCAHK-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCC[C@@H](CC)CC1(CN)CCCCCCC1	2307821137	FMIDYVDSVLMSJA-OAHLLOKOSA-N	239.447	4.892	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@@]12CCCC[C@@H]1C2	2311131890	TXAGMORUQLPHKQ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CC[C@@](C)(N)c1c(C)cc(C)cc1C	2316508343	BWMRYNXJMALUKA-QGZVFWFLSA-N	245.410	4.532	0	10	BJAE	
CC(=CC[C@@H](N)[C@]12C[C@H]1[C@H](C)C2)CCCC(C)C	2316551101	RRZJMGALDIFSOJ-YYIAUSFCSA-N	249.442	4.523	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccc(F)cc1C1CC1	2317108484	AOIRSDILZONZGP-LLVKDONJSA-N	248.341	4.712	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](O)c1cccc(C2CC2)c1	2317839955	UQDAFJSTKGOVJA-OGHNNQOOSA-N	246.394	4.526	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CC[C@@H]1C1CC1	2317933755	JVGMZRRZHRJVKL-CABCVRRESA-N	247.357	4.550	0	10	BJAE	
C[C@@H]1C(C)(C)C[C@]1(N)C1=CC[C@@H](C(C)(C)C)CC1	2318266779	RWNAFLFNKYTKHP-PBFPGSCMSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1CCC[C@](N)(CCCC2=CCCCC2)CC1	2318546454	SKJXYHAQHRHQNS-RDJZCZTQSA-N	249.442	4.955	0	10	BJAE	
CC1(C)CC2(CC(CCC3(N)CCCCC3)C2)C1	2318863706	BMHPDXQOMDSZSQ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC1CCC2(CC1)CC2	2318938524	KVOQDIGJDNQTKF-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)C[C@H]2CCCC3(CC3)C2)C1	2318994420	SDHDEKOLFVBWRT-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCCCC2(C)C)CC1	2320388234	OBLVPFACSYAITK-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2320405901	HBOIGFNVJUBUNO-WCVJEAGWSA-N	246.394	4.518	0	10	BJAE	
CC=CCCC[C@H](NC)c1cccc(C(C)C)c1	2320513107	HFGMTRJYHRABFZ-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccccc1C1CC1	2328290065	CLCIFUGVAOZHLO-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
Cc1ccc2sc3cccc(C)c3c2c1	2003727	KMPJENUWHPZRGZ-UHFFFAOYSA-N	212.317	4.671	0	10	BJAE	
CC(C)(C)C1CCC(Nc2ccccc2)CC1	6857316	RGBRFMMGDDDZSI-UHFFFAOYSA-N	231.383	4.703	0	10	BJAE	
Cc1cccc(NC2CCCCCCC2)c1C	19994736	OFRUXHJJOSXXPU-UHFFFAOYSA-N	231.383	4.828	0	10	BJAE	
CC[C@H](C)c1ccc(NCCC(C)C)cc1	35023400	HYOULSPAATXXRI-ZDUSSCGKSA-N	219.372	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C)C1CCCCC1	37294630	YFRFOKLXVIEVLU-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](O)c1ccc(-c2ccc(C(C)C)cc2)o1	54107430	GHXYQYWWSXLHQN-AWEZNQCLSA-N	244.334	4.513	0	10	BJAE	
CCCC[C@@H](CC)Nc1c(C)cc(C)cc1C	69376972	IIMYHJATKDDKMV-OAHLLOKOSA-N	233.399	4.993	0	10	BJAE	
CCCCCC[C@H](CCC)CNCC(C)C	71127055	DDCAYHXDMRGDOR-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCc1ccccc1N[C@H]1CCC[C@@H](C)CC1	86879166	XABZSWMPMWFPIK-HIFRSBDPSA-N	231.383	4.630	0	10	BJAE	
CCCCC1CCC(N)(C(CC)CC)CC1	87175769	VBPYZKBQMBIOIR-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCCCCCOc1cc(Cl)ccc1C	88764815	BERNOGFFQJICKV-UHFFFAOYSA-N	226.747	4.608	0	10	BJAE	
CC(C)(C)NC[C@H]1CCC[C@@H](C(C)(C)C)CC1	89556676	HXTCHGQYPHXBCN-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H]1C=Cc2ccccc21	90434389	OBFIVFTYPBYCHU-ZDUSSCGKSA-N	200.325	4.767	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)CCC2CCCCC2)c1	104048152	ILJHGBFYVPWZRU-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)CC2CCCC2)c1C	109786250	GNRILXZQNKJSTJ-MRXNPFEDSA-N	246.394	4.534	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CCC1CCCCC1	126741645	RYTGIFRESKPTSM-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@H](CCC(C)(C)C)NCCC	126785943	RDOBYBVHKKHHLJ-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1ccc(F)cc1C	132601473	DKSYBBLLPVQVDS-WFASDCNBSA-N	248.341	4.533	0	10	BJAE	
CCCCCCCCC[C@@H](CC)C(=O)OCC	147517085	UDEZGTDHQDQCRV-CQSZACIVSA-N	242.403	4.716	0	10	BJAE	
CCc1cc(-c2ccc(C(C)C)cc2)ccc1N	148375159	VJCCTNMXJGCECU-UHFFFAOYSA-N	239.362	4.622	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@H](C)c2ccccc2)CC1	159806648	DTYJUUNDKXAHJX-HLLBOEOZSA-N	245.410	4.696	0	10	BJAE	
CC(C)Cc1cccc([C@@H]2CCCCCC2=O)c1	166128133	CWUCWDMKUBJRCH-INIZCTEOSA-N	244.378	4.502	0	10	BJAE	
CCc1ccc(CC)c([C@@H](C[C@H](C)CC)NC)c1	167333865	MMNFZQKMOHGVLK-CXAGYDPISA-N	247.426	4.508	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)C(CC)CC	203416130	BGXKGWNGAAJPOW-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
Cc1c(Cl)cccc1[C@@H](O)CCCC(C)C	220578804	BILCZGHQKAJTHQ-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@@H](C)[C@@H](C)C1	220757402	GZGQNWHBKSBZIT-UGUYLWEFSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@H]1Nc1cccc(Cl)c1	221641577	XHZNOSSNHVUORR-UHIISALHSA-N	237.774	4.577	0	10	BJAE	
CCCN[C@H](CCC1CC1)C(CCC)CCC	229551536	KGSIAKXAHSRTHL-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H]1CCNc2ccccc21	232943226	HLMOEICSSDDJKC-CYBMUJFWSA-N	217.356	4.556	0	10	BJAE	
CCC(C)(C)CN[C@@H](C)c1cc2ccccc2o1	232975346	RLKBOICRBAMGEK-LBPRGKRZSA-N	245.366	4.520	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@@H]1C[C@H](C)CCC	251350349	QKXCINBMYCIOTE-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H]1C[C@H](CC)CC[C@H]1CNC(C)C	251391690	UFOSPVSBJPAEOE-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@H](C)[C@@H](C)C1	251665746	CDFNDGLIHJBWCS-UVPYHEFZSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](O)(CC)c1ccccc1	251869778	UHBNQAIQOBSSFT-OIISXLGYSA-N	246.394	4.501	0	10	BJAE	
CC(C)c1ccc(C(C)C)c([C@H]2CCCCN2)c1	258304547	JNELNKLZCJXNQD-QGZVFWFLSA-N	245.410	4.748	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](N)C1=CCCCCCC1	300280944	AQIQJLUTLKHMJD-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H]1CCC[C@H]1C	300281327	BZDQCMYDZXOTQX-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(n2ccc3ccccc32)CC1	301387556	BIAGNSMKSHLDDG-UHFFFAOYSA-N	227.351	4.783	0	10	BJAE	
CCN[C@H]([C@H](C)CC(C)C)C1(CC)CCCC1	302520207	DNIIKKKGRSZPDG-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CCC2CCCCC2)C1	304128374	QELBTAJLHZUJHO-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](N[C@@H]1C=CCCCCC1)c1cccs1	310066623	GHOMYZJWMJMHAH-KGLIPLIRSA-N	249.423	4.678	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)c1cc(C)cc(C)c1	311013674	KIUJBZBCBQFLFM-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCC23CCCCC3)C1	313017102	PIDXUMITJABNSL-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@](CCC(C)(C)C)(CNC)C1	317130588	GLMIKEKPDPJAPM-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](CNCC(C)C)CC(C)C	319097956	DLWDLTDXBHNSEC-ARFHVFGLSA-N	241.463	4.577	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](C)CCNC(C)(C)C)C1	379758928	CNILKSLSERYCLO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCC[C@H](O)C1	383181305	UYLIOJIVDPKFRU-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1CCCCCC(C)C	383394671	PWXROJDCRKWILI-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCC1(C)CCCC1)C(C)(C)C	383855585	BTKWYLJSKBZXDL-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCNCC(CC)(CC)C[C@@H]1CCC[C@H](C)C1	383875281	IKLZASNXFNPPEL-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](NC(C)(C)CC(C)(C)C)C1CCCC1	387529212	LWOCZWLWMYIBDR-CQSZACIVSA-N	239.447	4.760	0	10	BJAE	
CC/C(=C/C1CCCCCCC1)CNC(C)C	393895290	SZJJNXSHALPUSC-QINSGFPZSA-N	237.431	4.681	0	10	BJAE	
CCc1csc2c(C(F)(F)F)c(F)ccc12	396304893	WCTGSLSVRSCTIA-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
C[C@@H]([C@H](N)c1ccccc1C1CCC1)C(C)(C)C	399079136	RKUNZLQDNNXGLW-LRDDRELGSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CNCC12CCCCCCCCCCC2	399626373	VDCRBWGGGHRAIW-OAHLLOKOSA-N	237.431	4.517	0	10	BJAE	
CC(C)NC[C@@H]1CC[C@@H](C)C[C@@H]1CC1=CCCC1	400622034	JAIWGBGAVZMOSB-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1CCC(CN)(C[C@H]2CC=CCC2)CC1	402353226	SMPDSGQIAJPYST-GTPINHCMSA-N	249.442	4.524	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2CC[C@@H]3C[C@H]3C2)cc1	403819073	KJORXAKUNBDVAD-FVQBIDKESA-N	243.394	4.658	0	10	BJAE	
CSc1cccc(C(=O)CC2CCCCC2)c1	687006138	ZWUOUEIWTZCBSZ-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCc1cccc(N[C@@H]2CCCCC[C@H]2C)c1	691070098	HTCBLNRUBVIWPT-CZUORRHYSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCCC[C@@H]1C	691097260	GLRZCMPLISXKHU-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
C[C@H]([C@@H](O)c1ccc2sccc2c1)C(C)(C)C	691822007	JNIDRHPZSJBUGE-QMTHXVAHSA-N	248.391	4.617	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1N[C@H]1CCC12CCCCC2	693808541	WKBVDGZSUFOBBM-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C1CCC2(CC1)CC2	695627945	XIDFHZJMAIWRGQ-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C(C)(C)c1ccccc1	696594935	SMWAURKEKPROHP-OAHLLOKOSA-N	247.426	4.508	0	10	BJAE	
CC(C)=CCC[C@]1(CNC(C)C)CCC[C@@H]1C	698055359	RQPSZTMPYDFBPG-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@H]1CCCC[C@H]1CNC(C)(C)C	701144967	DXSMFLRWAJSLSN-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](N[C@H]1CCC12CCCC2)C1CCCCCC1	703778246	WCWVRDDEEYFFRA-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC1(C[C@](C)(N)[C@H]2CC3CCC2CC3)CCCC1	704506500	GKVAVSPTMZFCAX-NDTCATRNSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@@H]2CCCC[C@@H]2C)C1	704946426	WEJNXEFAEDZMJE-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@@H](C)[C@H](N)c1ccccc1)CC(C)(C)C	709100946	APFXGMVNAGLNPT-FMKPAKJESA-N	247.426	4.785	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@H](C)CC(C)(C)C	709198261	FQSGMIUOGMNPCN-UKRRQHHQSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)N[C@H](C)[C@@]12CCCC[C@H]1C2	709277245	OHNRRLAVTAINCA-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CCC(C)(C)CC)C(C)C	711294619	QFPIEHMHTADBEG-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc([C@@](C)(N)CC(C)(C)C(C)C)cc1C	713157614	ICCIXMDRWCBQDR-KRWDZBQOSA-N	247.426	4.550	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1scc(C)c1Cl	713190673	YSOKGXXJWSTTAX-VIFPVBQESA-N	246.803	4.570	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(O)CC1CCCCC1	713244729	DFKVRRLYHGNBBG-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)c1ccc(C2CC2)s1	716656670	GGQNNQSSFLSHLR-NSHDSACASA-N	248.391	4.635	0	10	BJAE	
CCCNC[C@]1(CCC(C)=C(C)C)CC1(C)C	718647443	JJFRSPKAFBDEBV-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCNC[C@]1(CC2CCCC2)CCC=CCCC1	719089987	PFFGCOLJDYEVDR-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C1CCCCC1	720976695	HZCNKCRBSHHKTR-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@H]1CC1(C)C	722664454	JRYVJVHAMPCOQG-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c(SCCC2CCCC2)c1	1307259784	DBKVHXBDIUCCCN-UHFFFAOYSA-N	234.408	4.976	0	10	BJAE	
C1=C[C@H](Sc2ccc3c(c2)CCCC3)CCC1	1307357843	DWVXFAMODWCOEW-HNNXBMFYSA-N	244.403	4.766	0	10	BJAE	
CCC(CC)(CC)CNc1cccc2cc[nH]c12	1462124606	CJPLMYNIEGUGND-UHFFFAOYSA-N	244.382	4.796	0	10	BJAE	
CCCCCCN(C)C[C@@H](C)C1CCCCC1	1644109021	GTVZVFLQHKIDFJ-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC1CCCCCC1	1901102080	KHGQNSIUCSFQND-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC1=C(C)C[C@H](CNc2cscc2C)CC1	1902848884	RTCUMKPMNCPSEL-CYBMUJFWSA-N	235.396	4.605	0	10	BJAE	
CCCCCC(=O)CC[C@@H]1CCC(C)(C)C1	1903430466	XZVJNXLUPPYSCV-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)c1ccsc1	1905436022	WIXWAVNTHGXFRQ-JSGCOSHPSA-N	239.428	4.615	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](CC(C)C)NCC	1905455110	XTZVKDQQHDNVJT-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@](C)(N)C1(C)CCCCC1	1908570391	CIIPUTLUOBNVGJ-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC=CC[C@]1(CNC(C)C)CCC[C@@H](CC)C1	1911940713	BFFSWQXLKJKVON-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)NCC(=C[C@@]1(C)C[C@H]1C)C1CCCCC1	1912084375	DLNAVHIDVFQTBC-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NC1CC2(CCCCC2)C1)c1cccs1	1912700839	JLJFMCPRHIKVMU-GFCCVEGCSA-N	249.423	4.512	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCCCCCC[C@H]1O	1913406203	XPPVPSLAHLGGLP-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
OC1(CCCF)CCCCCCCCCCC1	1919617999	JMIDKQODLWCHSM-UHFFFAOYSA-N	244.394	4.772	0	10	BJAE	
CCC(C)(C)[C@](C)(O)c1ccc(C(C)(C)C)cc1	1919647351	GDQTUPWBGWXBPF-QGZVFWFLSA-N	248.410	4.628	0	10	BJAE	
CCC1CC([C@@H](NC)c2ccccc2C(C)C)C1	1921275822	CANIHILXXGBBSJ-MQBCKMQZSA-N	245.410	4.507	0	10	BJAE	
CC(C)[C@H](c1ccccc1)[C@H](O)CCC(C)(C)C	1921320883	RQJDIRFUCBOFNW-HZPDHXFCSA-N	248.410	4.613	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@H]1CCCC12CCC2	1921586084	LFEMTKQMOTWXMY-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1(C2CCCC2)CCCC12CCC2	1921656703	ISSFEEGFGVISOJ-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
C1=C[C@H](Cc2cccc3cnccc23)CCCC1	1925830443	QBJPNLJUQVDOSI-AWEZNQCLSA-N	237.346	4.524	0	10	BJAE	
CCc1cccc(C)c1NCCC(CC)CC	1926161887	MOYTVHPTOQKOOG-UHFFFAOYSA-N	233.399	4.796	0	10	BJAE	
C[C@H]1C[C@@H](C[C@H]2C=CCCC2)CC[C@H]1C	1932605595	XRWNLHKQULMYSC-QPSCCSFWSA-N	206.373	4.805	0	10	BJAE	
CCC(C)(C)CC[C@@H](C)c1ccc(N)cc1	1935995987	SVRSUYQTBPMIPV-GFCCVEGCSA-N	219.372	4.589	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1CCCC(C)(C)CC1	1939899330	KLODYTGACCFPPW-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)CCC1(C)CC1	1940789285	AKQAIWDPRKHQLO-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCC[C@H]1CC1(C)C	1940877272	PMTJLMYBJIVGNE-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@H](C)c1ccc(N)cc1	1940969733	CVOVHRKSXLUUDB-AWEZNQCLSA-N	233.399	4.979	0	10	BJAE	
CCCNCC1(CCC(C)(C)C)CC(C)(C)C1	1941976339	HJLNFOIHIZKBMV-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H]([C@@H](C)CC(C)(C)C)[C@H](C)CCC(C)C	1942654735	CUXQXRNLEFVESZ-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
Cc1cc(C(=O)[C@]23CCCC[C@@H]2CCC3)cs1	1944223942	VDSVEAFCNJYJRR-HIFRSBDPSA-N	248.391	4.600	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C[C@@H]2CCC[C@H]2C)CC1	1944821181	VZTXHYMGGPGBIQ-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CCC(C)(C)C1	1945582213	LFBAPPTZABXIJE-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)C1(O)CC(C2CCCCC2)C1	1945938157	OFJPJWMNOOFLLM-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCC(C)C)C1CC(C)(CC)C1	1948406738	DWEDBJJPQCCHHS-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
NC1(C2CCC2)CCCCCCCCCCC1	1948984743	LQAHUEDMUZFWCG-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H]1CCCC[C@H]1C	1948993838	JKGASNLECXVAGQ-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)[C@H](O)CC[C@H]1CCC2(CCCC2)C1	1949400375	VHQMMNATDJPRGD-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC(C)(CC)CC)c1ccccc1	1949906048	ZHCSWTRTEHKSHO-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](O)CCC2CCCC2)CC1	1950911379	ODUKYSXGWZPCHR-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@@H]1CCCC(C)(C)CC1	1950915317	ZIBUYKDBOMVADL-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)[C@H]1CCC[C@@H](C)CC1	1950924198	KMKAAIXALWSPRS-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CCNC[C@]1([C@@H](C)CC)CCCC(C)(C)CC1	1950924444	YRGQYJACTWSBPF-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CN(CCCCCC2CC2)c2ccccc21	1966266395	OHPPEUOEHSZOHG-AWEZNQCLSA-N	243.394	4.581	0	10	BJAE	
C[C@@H]1CC[C@@H](COc2cccc3ccccc23)C1	1968275459	KYOYELMBRJYUKU-ZIAGYGMSSA-N	240.346	4.655	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC1CCCCC1	1968597350	LRWUKDOXAFLMNT-UHFFFAOYSA-N	231.383	4.863	0	10	BJAE	
CC1(C)CCCC[C@@H]1CN[C@@H]1CCCC2(CC2)C1	1970086555	QYDDTWFDULRTNI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@@H]2CCC23CCC3)C1	1972259308	KXMJNBQIJBIRLW-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1NC1CC2(CCCCC2)C1	1972430252	ORADRZIFWORASA-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)CNc1cccc(Cl)c1	1981289490	LTUWLQKPCOIRON-UHFFFAOYSA-N	239.790	4.968	0	10	BJAE	
CC=CCCCCC(F)(F)c1ccccc1	1984612070	IECCSVUUEWKZJE-UHFFFAOYSA-N	224.294	4.915	0	10	BJAE	
CC(C)(C)CCCC(=O)CCCC(F)(F)F	1993166213	QLPPBBWEYYADIA-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H](C)CCC	1993593145	HOUUYYCPXFISGO-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2CCCC2)CC1	1997118339	XCGXBPOOGNHMPE-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CN[C@H](C)CC(C)(C)C[C@@H]1CCC=CCCC1	1999991662	BXJTXHXXKSKZCH-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)CNC[C@@H]1CCC=CCCC1	1999994371	UMIJBCYOQJBECS-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](CC)(CN)[C@H]1CCC[C@@H](CC)C1	2000503228	VEOMUYBKFFXRAU-OWCLPIDISA-N	239.447	4.748	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H]1CC12CCCC2	2001211830	VCNZCKPERRDRHY-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002218750	CCHXDAVZCJSWIG-ZSHCYNCHSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@@](C)(O)C[C@@H](C)CC)CC1	2002925787	UHECYFLYHHXHOS-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)[C@@]1(CNC(C)C)CCCC(C)(C)C1	2002979361	QHMMQRBPDHCPGE-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
O=C(CC[C@H]1CC=CCC1)c1ccc(Cl)cc1	2003673804	ZEHHSWOHCAWGRI-LBPRGKRZSA-N	248.753	4.659	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H](CC)C(C)(F)F	2004475639	GPZJRMAMIITRNF-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC1CC(C[C@@H](O)C2(C)CCCCCCC2)C1	2004921342	UVNBXIAXYJDTIK-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](CC2CCC(C)(C)CC2)C1	2006660075	CVUBQWSOCDLLNF-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC(C)(C)CC)[C@@H]1CC	2009248132	GITXCLAQRIJBJD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(CC[C@H]2CCCCCCCC[C@H]2O)CC1	2009543605	HYBXFALMQPEECO-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CC=CCCCC(=O)c1ccccc1CCC	2009570413	AVJLPDCDSHOWPA-UHFFFAOYSA-N	230.351	4.568	0	10	BJAE	
CC=CCCC[C@](C)(N)C1CCC(C)(C)CC1	2009571956	JLYUOJYNIYZARF-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@@H](NC)C(C)(C)C1CCCC1	2009628236	MUEMJFFRGLUXJW-LLYBFZRZSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1(C(C)C)CC1	2009628279	NJCHCZZKJSVYEW-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC(C)C)CCC[C@H]1C	2009629757	USWQBXICJAJKEO-QDNWOOLPSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(N)([C@H]2CCC[C@@H](CC)C2)C1	2009788839	FJWPVJDJCQDTRS-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
C1=C(CC2CC(=C3CC3)C2)Cc2ccccc21	2011053679	QJCGBLVGLLZJFH-UHFFFAOYSA-N	222.331	4.517	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CCC[C@H]1C[C@H]1C	2011581021	NBQMWWDUBQGUFO-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCNC1CC(CC(C)(C)C)C1	2014656405	OOCJSMWEBRICBJ-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)C1C[C@@H]2CC[C@H]2C1	2015206272	MQHJJKMZRPCFET-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCCN(CC(C(C)C)C(C)C)[C@H](C)CC	2015336284	XHHFWOOLFKYDCM-OAHLLOKOSA-N	241.463	4.815	0	10	BJAE	
CCCNC[C@H](CCC)CC(C(C)C)C(C)C	2015411583	GPYIDJZTVWBARQ-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1(CC(C)C)CC1	2015753876	XOGPECPOYFCPME-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(=O)c1cc2ccccc2s1	2016441778	IQKQPOIFRSDWCE-BONVTDFDSA-N	244.359	4.520	0	10	BJAE	
CCCCCC[C@@H](O)CC1(C(C)(F)F)CCC1	2016717641	DTZXYHFDWYUKJA-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CC(C)C1(C[C@H]2CC[C@H](C)CCC2=O)CCC1	2017130000	WRGOUWCZOGNEBN-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1(C(C)C)CCC1)NC	2017140983	LWOZAZHYIMBDAV-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CC1CCC2(CC1)CC2	2017710137	OEDAOIPKJIBWCA-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2CC[C@H](C)CC2)CCCC1	2017722324	PKHSXCJSNRNZMM-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@H](C)CC1	2018139260	PRKVDCZDFNPKTE-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CCC1(C[C@H](O)c2cc3ccccc3s2)CC1	2018964208	FTHLOOPQLNEGDD-LBPRGKRZSA-N	246.375	4.515	0	10	BJAE	
C[C@@H](c1cccs1)N(C)[C@@H]1C=CCCCCC1	2019124995	WDLOBCXGKDERBV-UONOGXRCSA-N	249.423	4.630	0	10	BJAE	
CC(C)CCCCCN1CC[C@H](CC(C)C)C1	2019344508	NZYYYDARHUTEJS-MRXNPFEDSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CCC[C@H](CCC2CCCCC2)[C@H]1O	2020407752	KCYOSODDPMGNDQ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC=C(CC)[C@H](CC1(C)CCCC1)NCCC	2020974745	TZFNAHABUMBPFK-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@@H]1C[C@@H]1C(C)(C)C	2022560044	LHGZIBUYDVIIGK-XEZPLFJOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](C)(CNC)C[C@@H]1CCCC(C)(C)C1	2024095230	PYWXNHPTZXCLGS-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC1CC(C)(C)CC(C)(C)C1)C(C)(C)N	2024102819	WFSWJJFXWLUCPC-LBPRGKRZSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CC12CCC2	2026073915	JTPJOCPKZNZTID-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)=C(C)CCN1C[C@@]2(C)CC[C@@H](C2)C1(C)C	2027023804	QMFMKZQJRJCMPM-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
CC1(Cn2ccc3ccc(F)cc32)CCCCC1	2027275180	IQTHIMPAFCGKPG-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)CC1	2028786401	KIXSXNBWJYSYIC-SVXVCFNTSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1C[C@@H]2CC[C@@H]2C1	2028988651	VCTMKTSBHXKGLT-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@H]1CC1(N)CCC(C2CCC2)CC1	2032504396	ATELYWLZIHUQKB-PXZKZTPFSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC[C@@H]1CCC[C@H]1C)c1ccccc1	2032512332	AFZHWHOHLSURST-HLLBOEOZSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccccc1C	2035398855	BCVKGLKAVGKFDX-INMHGKMJSA-N	245.410	4.614	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)C[C@H]2C=CCCC2)C1(C)C	2035561709	GGTMVNLRWCVHNY-KEYYUXOJSA-N	248.410	4.764	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@@H]2C=CCCC2)CC1	2037305595	TWQPDOZRKKWJGJ-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1cc(C)ccc1C	2039448412	TVVTXCLMYJEREP-ZBFHGGJFSA-N	243.394	4.708	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C1CC2(C1)CC(C)(C)C2	2039462104	ONUYSWYOTKHVLF-HNNXBMFYSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CNCC[C@@]12CCCC1(CCCCC1)C2	2040766053	YNZOPZXVAPBYFT-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@@H]1C=CCCC1	2043185880	AIUYOCVGFLBVDD-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)C1[C@@H](C)[C@@H]1C	2043291231	ABJGVTIAZAJKEG-GRDNDAEWSA-N	249.442	4.537	0	10	BJAE	
CCN(C[C@@H]1CCC=CCCC1)C1CCCCC1	2046568377	MLLBRLIWLPVVQE-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCCN[C@@H](CC1CC1)C[C@@H]1CC12CCCCC2	2047016806	QZUGOTCSZAJZFD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC1[C@H]2CCCCC[C@H]12	2049704314	MFEZKDXQJVDXAL-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@H]2CCCC3(CC3)C2)[C@H](C)C1	2049947059	CNAAIQDDUOCJAH-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@H](O)CCC2CCC(C)CC2)cc1	2050442350	VFBHOIMEVAUYAK-PUJMQQBBSA-N	246.394	4.635	0	10	BJAE	
CC[C@@H](N[C@H](C)[C@@H](C)CC(C)C)c1ccccc1	2053266913	QEGMRLABDSZBFQ-ZMSDIMECSA-N	247.426	4.798	0	10	BJAE	
CCNC[C@]1(CCCC2(C)CC2)CCCC12CC2	2053357798	OOYLPRYOCZDOPJ-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1=C[C@@H](NCC2CCC(C(C)(C)C)CC2)CC1	2055846189	RZEKYVORBMUTNR-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC1(CNC(C)C)CCC2(CC2)CC1	2056556844	MZYJECNCPQJRDN-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)CC(N)(C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2058834991	JJJCIMBUXJDOMI-FICVDOATSA-N	249.442	4.501	0	10	BJAE	
CCCC1CC(NC[C@]23CCCC[C@H]2CCC3)C1	2059395419	KVAFOOYDICVDEL-ODZFXCKXSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(N[C@H]2CCC[C@@H](C3CC3)C2)C1	2059489539	FCHPPSAMABYKPM-YTWPKEEVSA-N	249.442	4.514	0	10	BJAE	
CCc1c(SC)ccc(Cl)c1C(F)F	2060055626	ZFSQWOGNTHEAEB-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
C[C@H](CC(=O)CCC[C@@H]1C[C@H]1C)c1ccccc1	2062629469	FQOSBXXYADFGMS-IIAWOOMASA-N	244.378	4.576	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1C[C@@H]2CCC[C@H]2C1	2063520376	NIZYZXOKVDEMJB-KADBJKQNSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC12CCC(CC1)CC2	2065262150	GTPGDJDIXSEJQN-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C(NC2CCC3(CCCCCC3)CC2)[C@H]1C	2065897391	OLNSPJPPUJUMMF-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CCC)Nc1cccc(C(C)C)n1	2066348599	DGFALYDUYBTMFW-CQSZACIVSA-N	248.414	4.976	0	10	BJAE	
C[C@@H](NCC12CCC(CC1)CC2)C1(C)CCCC1	2067528819	ASGZZVUCEGQMGZ-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CN[C@H](C)C1(C)CCCC1	2067572217	YAGVMKFJBYJNRC-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068778166	HZBAQINBFVGOJP-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(O)c1ccc(C2CC2)cc1	2070413127	IUYJSMMXVYSFQB-KRWDZBQOSA-N	244.378	4.518	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)c1ccc(C(C)C)cc1	2072417263	NDLMGJKIDNFOCA-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H]2CC23CCCC3)CC1	2072793268	ITCCTJQLRQIOEL-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@H](N)C23CCC(CC2)C3)CC1	2072810537	WXCPGWYTSLIJPH-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C=C(C)C[C@H]2CCCCN2)CC1	2072822368	UAZQDRYXLJNNIW-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)CC1	2072878594	OOLWSRMCBJLWRX-LISQQWEMSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc2[nH]ccc2c1	2073342011	NZUDGOHTSKVMGP-CQSZACIVSA-N	244.382	4.939	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@]12CCCC[C@H]1C2	2074092609	YSFCLZCYRZTICX-RDJZCZTQSA-N	239.362	4.530	0	10	BJAE	
CCCC1(C[C@@H](NC)c2cc(C)cc(C)c2)CC1	2074642055	PJXQIOSMLHNWMG-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)C1(CC2CCC2)CC1	2074642383	UGYHISWFXZJRFD-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NC)C23CCCC2CCC3)CC1	2074651379	AEXHUVWZXUVGAE-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1CN(C)CC(C)(C)CC	2075232342	YXBDXNWUFZGRKL-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
C[C@](O)(CCC1=CCCCC1)[C@]12CCCC[C@H]1C2	2075711315	XONGDHHKGMVWAM-ULQDDVLXSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1ccc(C)cc1C	2077185675	UNHWSJXPLDPCLB-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccccc1C1CC1	2077262633	WTYMHTFVRYRGSZ-HOCLYGCPSA-N	243.394	4.945	0	10	BJAE	
CC1(C)CC(CC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1	2079483702	GFVDYAJKTLTEPE-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CCC(=C[C@H]1C[C@@H]1C1CCCCC1)CNC(C)C	2079660990	OAZVEQLABAVTJH-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2C[C@@H]2C2CCCCCC2)CCC1	2079784195	AJEOKLBNPROFSN-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1CCCC1)[C@@H]1C[C@H]1C1CCCCC1	2079830388	ARVFZRXTTUSNIB-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1C[C@H]1C1CCCCC1)C1CCCCC1	2079842077	MJXCKVFBKZRNSD-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(F)c1-c1cc(Cl)cs1	2080277827	NVMXRTYEUBTWIS-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1	2082980700	XJVQURIVORDKCZ-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@](C)(CN)CCCCCCC1CC1	2210525741	UTNQORVBLFFULQ-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CCCCC[C@](C)(CCC)CN[C@@H](C)CC	2212593925	XPMBAQNCJMIDDA-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
Cc1csc(C(=O)CC[C@@]23CCC[C@@H]2C3)c1C	2213649468	FJDXDNMFPQZLGM-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(O)CCCC(C)(C)CC1	2215236273	IKXRUSWJVKPKAS-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@]1(CNC(C)C)CC=C(C)CC1	2215825893	IDEMXNUDHWHKMW-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC1(CC[C@]2(O)CCC[C@@H](C(C)(C)C)C2)CC1	2216254980	BDMYTHWLHVJMLE-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)CCCC(F)F)C1CCCCC1	2216408767	TXSRPIDCRUOJOB-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](CNC1CCC1)CC1(C)CCCC1	2217124618	JBHTWQLELIKMFO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](CN[C@@H](C)CC)CC(C)C	2217137285	BCQQUURTVQXWOB-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)CCCC1(CNC2CCC2)CCC1	2217156827	OBJZHRLMDUBDSG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218348094	DTXOBUKSQJGRKL-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)CC=Cc1ccccc1	2219071347	NCMBWNSIZJWTLL-WBVHZDCISA-N	246.394	4.523	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@H]1CC[C@H]1C	2220519538	IPZHMDICJKQAOC-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@@H]1C(=O)c1ccc(C2CCCC2)cc1	2220540770	OIBPXGXIJHJLIF-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
NCC1(CC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1	2222922348	UTHCORBJNHLWOW-JYJNAYRXSA-N	249.442	4.502	0	10	BJAE	
CCCCc1ccc([C@@H](O)C[C@@H](C)CC)s1	2242605035	NTKJJYIQBDFENF-AAEUAGOBSA-N	240.412	4.560	0	10	BJAE	
CCC[C@H](CC)C(=O)CCC1CCCCC1	2244776420	XWGQZCYZVHJZLT-AWEZNQCLSA-N	224.388	4.742	0	10	BJAE	
CC[C@H](N)[C@@H](C)CC[C@H](C)CCCC(C)C	2244846088	YEQNGBQDNTUIGZ-ILXRZTDVSA-N	227.436	4.602	0	10	BJAE	
CC(C)(C)[C@H](O)CCC[C@@H]1CCCCC12CC2	2246627657	SJQMGJDCLRLHQK-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H]1CCCC(C)(C)C1=O	2247096722	IGVRBKKAUORTII-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@@H]1CCC1(C)C	2247443727	KMBTUTUANZKLNH-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CC1=CCCCC1	2247491184	WTAOYJVSJSYNFA-HOTGVXAUSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C(C)(C)CCF	2248854301	OIFPQRDGZJVCFJ-STQMWFEESA-N	242.378	4.548	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1cccc(C(C)(C)C)c1	2249232019	DAEMOSDCWQVNKW-IUODEOHRSA-N	231.383	4.585	0	10	BJAE	
Cc1cc2sccc2c(CC2=CCCCC2)n1	2249501712	FLZLUXFRQOEUEL-UHFFFAOYSA-N	243.375	4.648	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@]1(CN)CC1(C)C	2250467267	OZLZZPNITDIDQK-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(O)CC(C)(C)C1	2250494895	YGSWTRGZHWTKPG-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)CN[C@]12CCCC[C@H]1CC2	2251133325	GMOVEMVAHAXYRX-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H](C)Nc1cccc(C2CCCC2)c1	2251219228	FISPYAYTUDVFFK-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NCC[C@@H]1CCCCC12CC2	2253877439	FCFSYFMEQWZLLM-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Nc1ccccc1CCC[C@@H]1CCCCC12CC2	2253887730	ZBEZLCHVMYQUKH-HNNXBMFYSA-N	243.394	4.562	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2Cc3ccccc3N2)C1	2253970701	MINIJXPSUJTPPC-IJEWVQPXSA-N	243.394	4.630	0	10	BJAE	
CC(C)c1ccccc1NC1CC2(CC(F)C2)C1	2254512883	NUOOCASCHPKYIS-UHFFFAOYSA-N	247.357	4.503	0	10	BJAE	
C[C@@H](CCCC[C@H]1C[C@H]1C)[C@H](O)c1ccccc1	2254590715	DLVQAQYDRVYHGD-FSDCSDTHSA-N	246.394	4.573	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(N)CCCC12CCCC2	2254605926	DOXCBRKSLNJLOU-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@@H]2CCC23CCC3)CC1	2255015189	RLUDUYBXYJNWPB-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccccc1OC[C@@H]1CCC1(C)C	2255016758	KLPOMPILDCIWGM-ZDUSSCGKSA-N	246.394	4.799	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC[C@@H]1CCCC12CC2	2255230673	YNJPMVSVNVAACU-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NCCCCC[C@H]1C[C@H]1C)c1ccccc1	2257320164	HZCDNAOPXBORAL-VYDXJSESSA-N	245.410	4.554	0	10	BJAE	
Cc1cc(NCCCC[C@H]2C[C@H]2C)cc(C)c1C	2258233540	OXBMOJKUUDJVGW-ZBFHGGJFSA-N	245.410	4.850	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cc2cc(C)ccc2o1	2259434305	AINQIXYLSWPSMV-MLGOLLRUSA-N	246.350	4.601	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)c1cccc(C2CC2)c1	2259435206	AMZMMDVFHJFDFH-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1CC2(CC(C)C2)C1	2259513532	AYNHUBHFIDQMSR-LYOOIAODSA-N	249.442	4.537	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@H]1CCC[C@@H](C)C1)C2	2259569755	OCEYVNGUXFRACY-BJOWLINFSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(C[C@H](N)[C@@]23CCCC[C@@H]2CC3)CC1	2260499296	DJMCCHVXLRYKID-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@](C)(O)[C@H]1CCC[C@@H](C)C1	2300676499	PJICKMGPOHDGBR-KBMXLJTQSA-N	240.431	4.780	0	10	BJAE	
CCC(C)=CCc1c(C)ccc(C(C)C)c1O	2300900299	WTJIAHDYVQZZNK-UHFFFAOYSA-N	232.367	4.723	0	10	BJAE	
CCCCC1CC(N(C)[C@H](C)[C@@H](C)C(C)C)C1	2301978863	ROMBMZCHJPEZNS-QRNKSROTSA-N	239.447	4.568	0	10	BJAE	
CC1([C@@](C)(N)CCCC2=CCCCC2)CCC1	2302323554	PNOZAGZKLLISMI-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)CCCC1=CCCCC1	2302347651	TTWYRMVEEVSPDB-LSDHHAIUSA-N	237.431	4.633	0	10	BJAE	
O[C@@H](CCCCC1CC1)C1=CCCCCCC1	2302573793	IGPVXDCYWFROIB-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)CC[C@@H]1CC[C@H]1C1CC1	2303147415	OAULIMYQXQMDGJ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2304447981	TUBPZCYAXQEKFJ-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CCC)[C@@H]1CC1(C)C	2307832566	UOHIGBORQUURSM-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1c(C)cccc1C	2307877780	MNBZQOHIEDHFGE-GJZGRUSLSA-N	234.383	4.553	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(O)CCCC(C)(C)CC1	2307880161	VGIGMJVQZBVLJI-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2CCC[C@@H]3C[C@H]23)CC1	2308437673	HPAKKLYNXBJSLJ-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)C[C@@]12CCC[C@@H]1C2	2310387313	WCSHSXAIEXXONB-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@@H](N)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2311200047	HDZDTDPCIUGQJP-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1C[C@@]12CCCC[C@@H]1CC2	2313333269	HNGRWKRZIGGBGI-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(C[C@@]12CCCC[C@@H]1CC2)[C@H]1CC1(C)C	2313347620	ZALHDUHSEQHZMG-YQFWSFKMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2C[C@H]2C2CCCCC2)C1=O	2313407393	RCSVFXRQSIBMLW-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CC(=CCN[C@@]1(C)CC=CCC1)CCCC(C)C	2316491216	OVJAXWWHEDBKTH-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1C[C@@H]2CC[C@H]2C1	2316509033	NGYYACZWEVDLIC-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316696736	CXXDDBQTIJBLLS-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2316868800	BADBFRYNMJDMNS-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CC1CCC2(CC1)CCN2CC1CCCCCC1	2316887613	ZPTZRGZKBPWTLX-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H](NC)c1cccc(C2CCC(C)CC2)c1	2317105323	JJIXARRWEITPFT-MQBCKMQZSA-N	245.410	4.651	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H](C)CCC1CC1	2317927642	LBZONFUBLLDABW-LBPRGKRZSA-N	249.373	4.940	0	10	BJAE	
CCc1ccc([C@H](O)CCCC2=CCCCC2)o1	2318537372	FBSVVEDLHHVISI-OAHLLOKOSA-N	248.366	4.546	0	10	BJAE	
N[C@@H]1CCC[C@@H]1CC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2318793098	BZSCFAFWHFCIQY-JZAWBGDQSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC(C)(C)C2)CC=C(C)CC1	2319073601	OWMKIDMBPLCPIC-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC(C)(CCC(=O)C[C@@H]1CC[C@@H]1C1CC1)C1CC1	2319583542	MBRWRVSLUFGJMV-XJKSGUPXSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc(OCC[C@H]2CC[C@@H]2C2CC2)c1	2319750132	QQGLQJKVVWUVEW-NVXWUHKLSA-N	244.378	4.509	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](O)c2cccc(C)c2)CC1	2320327893	BYHKXSWYESQAFR-WBVHZDCISA-N	244.378	4.555	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@@H]2CC[C@@H](C)C2)c1	2320514623	BHEYXZYDDXKUIM-CKEIUWERSA-N	246.394	4.670	0	10	BJAE	
CCCCC[C@](C)(O)Cc1cccc(C(C)C)c1	2320631275	SRMPNEGVGLYQFN-KRWDZBQOSA-N	248.410	4.684	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)[C@@H](CC1CC1)C1CC1	2320771442	JEWLXVXWODUDRQ-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(N)([C@@H](CC2CC2)C2CC2)CC1	2320775579	JEZZOSJDPOPPLI-GTPINHCMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C2C[C@H]3CC[C@@H]3C2)C1	2321610584	IUCPSCGGAVEYMI-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H]2C[C@H]3CC[C@H]2C[C@@]3(C)N)CCCCC1	2327773556	LOHDPULOULJDEE-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cc2ccccc2o1	2328282362	OMZVSVVZBPZKLS-TZMCWYRMSA-N	245.366	4.649	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(N(CC)CC)cc1	57785036	NPJBPSWSYQLQRO-AWEZNQCLSA-N	248.414	4.523	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](C)c1sccc1C	69637098	UQXWLMXYBAHVGZ-NEPJUHHUSA-N	239.428	4.532	0	10	BJAE	
CCCCCC[C@H](C)NCc1cc(C)ccc1C	70136882	HPLZBSUDXBRSPX-INIZCTEOSA-N	247.426	4.752	0	10	BJAE	
CCCCCCSc1cc(Cl)ccc1N	86480310	LHCPSZDSPNEPAL-UHFFFAOYSA-N	243.803	4.595	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(C)cc2)CC1	86894047	WBTUNYRTBFEWSX-CABCVRRESA-N	231.383	4.766	0	10	BJAE	
Cc1ccc(NC[C@H]2CCC[C@@H](C)C2)cc1C	89604327	AFEFZJXISOKNEF-DOMZBBRYSA-N	231.383	4.542	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](NC)C(C)(C)C)cc1	90483359	KXQSKEWMSFBHFC-HNNXBMFYSA-N	247.426	4.681	0	10	BJAE	
CC[C@H](C)[C@H](O)c1ccc(Cl)c2ccccc12	93656849	DPIBPVNIRRRQKZ-BONVTDFDSA-N	248.753	4.573	0	10	BJAE	
C/C=C\[C@H](C)Cc1ccc(SCC)cc1	107604551	LQIIDJMASIXKCR-RNZFLTOJSA-N	220.381	4.553	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)c1ccc(C(C)C)cc1	109718148	NFFLYNYGOHLZOB-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CCOc1cccc(N[C@@H](CC)C[C@@H](C)CC)c1	109912029	HPRXELBXSMDWCO-KBPBESRZSA-N	249.398	4.712	0	10	BJAE	
CC[C@@H](Nc1ccccc1F)c1ccccc1F	122461265	VXAUFGFQFSFVLT-CQSZACIVSA-N	247.288	4.528	0	10	BJAE	
C[C@H](N[C@H](C)C(C)(C)C)c1cc2ccccc2o1	122465931	CWALSANZHNGJEL-NWDGAFQWSA-N	245.366	4.518	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@@H](C)C2CCC2)cc1	137719214	JWJYWXKQFKUQKI-KBPBESRZSA-N	245.410	4.649	0	10	BJAE	
CC(C)(C)Cc1ccccc1CC(C)(C)C	138140621	WJMYQTWSUBOGMD-UHFFFAOYSA-N	218.384	4.864	0	10	BJAE	
CCCCC[C@@H](N)c1ccccc1C(C)(C)C	159715072	LDRCHRCSFVGLCY-OAHLLOKOSA-N	233.399	4.564	0	10	BJAE	
Cc1ccc(C)c(-c2c(F)cccc2Cl)c1	160402997	SENQVQGAZYIACF-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(CC2CCCCC2)C1	203332411	RQDMEGHBGACEKH-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(O)CC1CCCCC1	214799488	NZHFGMNOVPDAKO-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](N)C1=CCCCCCC1	226906570	AQIQJLUTLKHMJD-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CCCC(CCC)[C@H](O)C1C[C@H](C)C[C@@H](C)C1	228730139	LKBKKQFYHJUQEL-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)[C@H](NCC)c1cccc(C)c1	229309555	QOENROOUIHATIK-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CC[C@H](N[C@H](C)CC1CCC1)C1CCCCC1	229694835	OLDMANLMJZSYEK-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)C1=CCCCCCC1	232981103	GHZACKHAHZYBMO-GDBMZVCRSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C)[C@@H](CNC)c1ccc(C(C)C)cc1	233347068	XZZJGHCVYTYVDN-WMLDXEAASA-N	247.426	4.549	0	10	BJAE	
CCCCc1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)cc1	250017777	MLOPDIVLFLUONH-ZOBUZTSGSA-N	243.394	4.630	0	10	BJAE	
CCC[C@H](NCC)[C@H]1CCCC[C@H]1C(C)(C)C	251311518	KKXYGHBEWYZDFF-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC(=O)Cc1ccccc1[C@H]1CCCC(C)(C)C1	258343540	NEMNTWKADBXGQN-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(CCC2CCCCC2)C1	302274301	SCHGHNIPOIFMJR-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)[C@@H](CCC1CCCC1)C(C)C	305899307	ZXHHOEYHQMACDU-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CSc1c(S)c(Cl)cc2ccsc12	306875694	CEUCJEYJQKRRSG-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](O)[C@H](CC)CC(C)C	308034246	RLPVMODUTVKTBX-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)C[C@H](C)c1ccccc1	308091541	HVWLHMICTYCYDJ-ZMSDIMECSA-N	247.426	4.580	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1CCC[C@H](C)C1	310510994	LNDZFAWVUUGSOA-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@]1(CNCCC)CCC[C@H](C)C1	317186084	NPFJAKWGMVICLQ-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
CC(C)[C@H](C)[C@]1(N)CCC[C@@H](C(C)(C)C)CC1	319537779	FQNBDWLVYRQZBY-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CCCc1ccccc1C(=O)C(C)(C)C1CCC1	322555770	DLOOVCFGBCIXPK-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](O)CC1(C)CCCC1	381427620	FLOFSOGYSLUNRL-JKSUJKDBSA-N	246.394	4.512	0	10	BJAE	
CCN[C@@H](CC(C)C)CC1CCC(C)(C)CC1	383690419	QKCHFHNPUBJTOD-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)CC2CCCCC2)C1	383959027	XDNUZZHCNSWJBJ-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC/C=C/CN[C@@H](C)c1cc2ccccc2s1	384731202	JPJABISSTAOTAN-NTYUQYKDSA-N	245.391	4.518	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(C(F)F)cc1	386277076	CZXRVDZVADEDND-NSHDSACASA-N	227.298	4.615	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1C[C@@H]1CC(C)C	387965350	DYZCABSRGDPRIM-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCC[C@H](C)[C@H]1C	391206905	SNHCQFICMBDBSW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1ccc2sccc2c1)[C@@H](C)CC	395330819	RDBWDQJRCBTVQE-NHYWBVRUSA-N	247.407	4.598	0	10	BJAE	
CCc1cc(C(F)F)c(CC)c2sccc12	396170457	VGTIZVDTMDNTJM-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
Cc1sc2c(C(F)(F)F)cccc2c1C	396204936	XRPDZVYCGAFZEV-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CC(C)=CCCN[C@@H](C)c1c(C)cc(C)cc1C	397780266	VQJFQIWFBGFVLE-INIZCTEOSA-N	245.410	4.619	0	10	BJAE	
C[C@H](C[C@H](N)C1CCCCCCC1)C1CCC1	398653726	LXPNEHQAVUNSCR-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]([C@H](O)c1csc2ccccc12)C(C)(C)C	399156592	KXYXBVMGXNLMKV-HZMBPMFUSA-N	248.391	4.617	0	10	BJAE	
O=C(C[C@@H]1CC[C@H]2C[C@@H]2C1)C1CCCCCCC1	403652277	RJGYIIIRCALOJO-KBMXLJTQSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccc(C2CC2)cc1	690077582	COPAGEJPVJPUME-WBMJQRKESA-N	229.367	4.555	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCC12CCCCC2	693816187	TYLRWEFOMUVIOY-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCc1ccc([C@@](C)(O)CCC(C)(C)CC)cc1	696684552	QMXBLZDJMHHWQJ-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCC(C)(C)CCN[C@@H](C)CCC(C)(C)C	696803128	OMRWYLTVBSZDAG-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CCCC(C)(C)CC1	697603546	JSHPWLYNUVWGLE-CQSZACIVSA-N	219.372	4.636	0	10	BJAE	
C1=CCC(CC[C@@H]2CC3CCC2CC3)C1	700884063	VOUOJAQEWJTOQN-YMAMQOFZSA-N	204.357	4.559	0	10	BJAE	
C[C@@H](CC(=O)C1CC2(CCC2)C1)C1CCCCC1	700943387	VBPLHPRKYLSLBC-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@]1(C)CN[C@@H]1CCCCC12CCCC2	701992098	FUPHPSZCNBATRB-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](O)c1cccc(C(C)C)c1	703991006	JLNFAKGDCVIBMC-MRXNPFEDSA-N	234.383	4.670	0	10	BJAE	
C[C@](N)(CCC1CCCCC1)[C@H]1C[C@H]2CC[C@H]1C2	704443881	UPQPMRYUUCYGNG-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@H](C)CC(C)C)[C@H]1CC1(C)C	704477644	YLJXKFVFUHRMEL-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)CCC(C)C	704855200	YULGHAWSKVSRPN-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC[C@@H](C)C1)C1CCCC1	704914866	PXUZRSARPZYFSA-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
c1cc(OCCC2CCCC2)c2ccsc2c1	705073673	CMAOMDPSJBNJAZ-UHFFFAOYSA-N	246.375	4.860	0	10	BJAE	
N[C@@]1(CC2CCCCC2)CCCCC12CCCC2	707766735	ODEYYOYBWVSGTI-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)(C)C)CC1(C)CC1	709089334	NLMZHROGQMMKFZ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CNc1ccc2c(c1)CCC2)CC(C)(C)C	709188610	NYPQAHZELKPQGP-CYBMUJFWSA-N	245.410	4.660	0	10	BJAE	
C[C@H](CCC[C@@H](N)c1ccccc1)CC(C)(C)C	709189502	PFDIMVWYLFAADH-GDBMZVCRSA-N	247.426	4.929	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)CC2CCC2)CC1	710273993	CJWXGYXAQXNFJC-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CC(=O)C[C@@H](C)CC(F)F)C(C)(C)C	711118125	IDEFYUMNNCCNMG-MNOVXSKESA-N	248.357	4.699	0	10	BJAE	
CCCC1([C@@H](C[C@H](C)C(C)(C)C)NCC)CC1	711154462	XXOSDTANTQICJB-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC(C)(C)C(C)C	713127416	HOCGOUVTANWKLA-CABCVRRESA-N	242.447	4.882	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCCC[C@@H]1CNC(C)C	713182538	GTSKRYNOLXVUEM-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCCCCC1(C)C	713186656	DNEWPGIJCWBZRM-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
C=C/C=C/CCC(=O)[C@H](CCC)CC(C)C	713685358	PCWQGAKQFFNEDO-HSBSLETESA-N	222.372	4.540	0	10	BJAE	
C[C@H]1CNC2(CCCCC2)[C@H]1C1(C)CCCCC1	721041223	KDMXFWGYTYFJOY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CNc1ccc(-c2cccc(C3CCC3)c2)cc1	723886322	KAFMVRGQGVETQH-UHFFFAOYSA-N	237.346	4.663	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](CO)C1CCCCCC1	829249833	CEODLYCGVJZEKM-HOCLYGCPSA-N	240.431	4.638	0	10	BJAE	
CC[C@H](C)c1nnc(C=C2CCC(C)(C)CC2)o1	1329051977	NZKBBNVTZQDVRY-NSHDSACASA-N	248.370	4.567	0	10	BJAE	
c1ccc2c(c1)CC[C@@H]2CCSC1CCCC1	1652424528	CXBOFQFQIQNTTE-CQSZACIVSA-N	246.419	4.782	0	10	BJAE	
Cc1cc(N[C@H](C)C2CCC2)c2ccccc2c1	1658139792	DEPQAEWPRVSNIW-CYBMUJFWSA-N	239.362	4.749	0	10	BJAE	
CCC(CC)CCOc1cc(C)ccc1C	1900704134	PJJJCPAKBCSJEV-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
CCC(C)=CCNc1cc(Cl)c(F)cc1C	1900822170	BZLGBQHQEVRANG-UHFFFAOYSA-N	241.737	4.556	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CC(C)(C)C	1900858513	PCQGIVGKOUGKHN-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC=CCC(=O)c1ccc(-c2cccs2)s1	1900902911	JDNVRNCDCRVFOG-UHFFFAOYSA-N	248.372	4.626	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@@H]2CCC(C)(C)C2)n1	1905266878	GLRMATYAMWDQPD-MXWKQRLJSA-N	235.396	4.560	0	10	BJAE	
Cc1ccc(Cl)c2c(C(C)C)coc12	1907244825	WHTMXMKFDOVNBC-UHFFFAOYSA-N	208.688	4.518	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@H](N)[C@@H](C)CC)CC1	1909704163	ZWRTXFZMEMBUQB-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1C[C@H]1C1CCCC1	1910808844	CCAMYIWQJUTEFF-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCCCC=Cc1ccccc1)C(C)C	1911897302	QVEBITILTDTJFS-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@@H](C)C(C)=CC1(C)CCCCCC1	1912029001	YOYRLNDPTVKBRW-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](NC1CC2(CCCC2)C1)C1CCCCC1	1912728252	BTKSNTUXNXFRGE-INIZCTEOSA-N	249.442	4.658	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1CC1C[C@@H]2C[C@H]2C1	1913424593	VEIMCFWHMXHXCU-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1CCC2(CCCCC2)C1	1915863698	AQBGRPOEENKBMX-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@](C)(N)Cc1ccc(C)c(C)c1	1920189189	WJYYTEQWZPOQMS-KRWDZBQOSA-N	247.426	4.534	0	10	BJAE	
CCC1CC([C@@H](N)c2ccc([C@@H](C)CC)cc2)C1	1921203922	PCOSYMIPJRMYAQ-KLBWVBMESA-N	245.410	4.636	0	10	BJAE	
CC(C)c1cnc([C@H]2CCCC23CCC3)s1	1921614008	CJSPFTBFPTWCNG-LLVKDONJSA-N	235.396	4.704	0	10	BJAE	
CCCC[C@@](CC)(CO)C[C@H]1C=CCCCC1	1925947212	ZAMZSAJWBVBPAU-JKSUJKDBSA-N	238.415	4.702	0	10	BJAE	
C=CC=CCCCC1C[C@@H](C)C[C@H](C)C1	1929817277	DMAQIZNKMPJQCV-KBPBESRZSA-N	206.373	4.971	0	10	BJAE	
Cc1sc(Cl)cc1C[C@H]1C=CCCCC1	1933565694	MPNHWBPSWVWZRS-NSHDSACASA-N	240.799	4.999	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)CC1(C)CC1	1940414388	IULFXEZQQUFZSN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)C(=O)CCC[C@H]1CC1(C)C	1940877536	RHQLCNXUTUFQMK-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)[C@@H](CC(C)C)C(C)C	1941243969	REDVGNLMOIFVQF-HRCADAONSA-N	242.447	4.738	0	10	BJAE	
CCC[C@H](C(=O)c1cc(C)ccc1C)C(C)C	1941265626	XJJUYHWUKJURHR-AWEZNQCLSA-N	232.367	4.558	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C1CCC(CC)CC1	1941266021	YZSZPYGRXGSGCT-QDIHITRGSA-N	239.447	4.602	0	10	BJAE	
CCCC(CCC)[C@@H](NC)[C@H](C)CCC(C)C	1942653985	WPESMVBWEDLVEA-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@H](C)CCC(C)C	1942661995	MZYHLXXXBVWLHD-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)C(C)(C)C1CCCCC1	1944665604	HNZFPSSRWFOYPH-ZFWWWQNUSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](CNC2CCCCCCC2)C1	1945590426	FANWJCAKEKHAEG-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CC[C@H]2CC[C@H]1C2	1947123611	LTQJSQRVCYPAPB-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@H]1CCC[C@@H](C)C1	1948933025	SCJBDZKPFIFQFG-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC2(C)CCC2)CC1	1948972799	KVXQINMHGNZHBD-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC1(C[C@@](N)(CCC(C)C)C2CC2)CCC1	1948981571	VNQRNRLZYZWDMV-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@@H](C)C1CCC1	1949040965	ZDHBHZXLBIWYRZ-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CCCC1([C@@H](N)CCC2=CCCCC2)CCC1	1949051401	NOUMPJBNHVGTIL-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@@H]1CCC(C)(C)C1	1949517600	KCOCZSOAUAYMAI-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC(C)(C)[C@@H](O)C1	1949683450	SMLFDGMHUACZGV-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC1=CC[C@@H](N[C@H](c2cccs2)C(C)C)CC1	1964536666	CKPCKPVUYSZNMW-HIFRSBDPSA-N	249.423	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)NC[C@H]1CCCCC1(C)C	1970082773	SVOPUTHIYXZBSY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](N[C@@H]2CCCC3(CCCCC3)C2)C1	1971670935	SDQRUQZNDOIJNS-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC(C)(CN[C@@H]1CCCC2(CCC2)C1)C1CCC1	1972662960	RZOLHDOYJCOULQ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)CNC[C@@H](C)C1CCCCC1	1973163646	HTELGPCXLXCKEL-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC/C=C/CN[C@@H](CCC)c1cccs1	1975485165	OJXOEXRMPNWGPU-YBJDMEARSA-N	237.412	4.535	0	10	BJAE	
CCC(C)(C)C[C@](C)(N)C1(C)CCCCC1	1975576692	YFHDCGGHMGZOSC-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@](C)(CC=CCl)CNCC(C)C	1978649389	UTAVBCNQULKNCU-CQSZACIVSA-N	245.838	4.571	0	10	BJAE	
CCCC1CC(Nc2cccc(Cl)c2C)C1	1984692699	SDBGLQKWIQVFQL-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CC)CCCCC	1990094636	XMPIPDWNYVVQCO-GJZGRUSLSA-N	227.436	4.904	0	10	BJAE	
CC1CCC([C@@](C)(N)CCC2CCCC2)CC1	1996593307	GIKSAYCOLQLRRO-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@]1(C)CC=CCC1	1997544447	RNZRMDDDKFJIMB-ARFHVFGLSA-N	237.431	4.667	0	10	BJAE	
Cc1ccc(Cl)cc1NC1[C@H]2CCC[C@H]1CC2	1997558446	NIKAVTUMYDSMIM-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)[C@@H]1CCCC(C)(C)C1	2000149819	MCERJDILLRDNMU-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@H]1CCC1(C)C	2000483485	MZWKTJITSMDHGS-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCNCC(CC)(CC)CCCC1(C)CC1	2000499229	IFKDOOPBRKGFIQ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H]1CCCN(C[C@@H](C)C(C)(C)C)CC1	2000906132	GZADTCDOZBCQRF-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CCC1(C)CCC(O)(CC[C@H]2CC2(C)C)CC1	2004350294	BMMJPRCBXPEPAQ-JEYLPNPQSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@](C)(O)C1(C)CCC1)C1CCCCC1	2004839691	JZSALDOPQKHOOL-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(C)([C@@H](O)CCC2CCCC2)CC1	2007695930	KTOHEWSOETYQJZ-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CC=C(C)[C@@H](NCC)C(C)(C)C1CCCCC1	2007852941	IUDSJIGWEXREOP-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1CCCC(C)(C)CC1	2007857344	MNWSQRLQMGWCRM-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC=CCCCC1(N)CCC(C(C)(C)C)CC1	2009628313	MXMDIEUHVDDRRS-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)C[C@H](O)C1=CC[C@H](C(C)C)CC1	2010727013	UELKZAXFKIYHPA-ZFWWWQNUSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@H]1C=CCCCC1	2013270278	HFAVSQYALABJSO-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)C(C(C)C)C(C)C	2015273982	IFSOSYMZQIVOIX-GJZGRUSLSA-N	241.463	4.575	0	10	BJAE	
CC[C@H](C)C[C@H](CCC(C(C)C)C(C)C)NC	2015358154	OSLZSPPBQWIJDZ-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1CCC(C(C)C)C(C)C	2015389886	CKKZTXFEEJGBKL-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@@H](CC2CCC2)NCC)CCC1	2015641216	BFMNEITYJUMDRL-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)CNC1(CC2CCC2)CC1	2015795855	FNBJCRRWCHOIKZ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CNC12CCCCC2	2017314764	AOBJHGSAAOORCI-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(C[C@@](C)(CO)C(C)C)CC1	2017713571	YOAXZAZAJMRBQV-GPANFISMSA-N	240.431	4.638	0	10	BJAE	
C[C@H]1CC[C@H](CC[C@H](O)CC2CCCC2)CC1	2017716598	MSPAJBWWPRFQAC-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)C[C@H]1CC[C@H](C)CC1	2017725427	RTBNEHCSFQSYEW-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CC2CCC(N)CC2)CC1	2017733161	HXQVIPWTIWSHEL-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](O)(CC)CC1C[C@H]2CC[C@@H]2C1	2018129316	BRBZXCAJIZPNCY-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](C)CC(C)(C)C	2019190714	NDGHUJZUZWDBBT-GJZGRUSLSA-N	241.463	4.959	0	10	BJAE	
CCCCCC1CC(N(C)CCCC(C)C)C1	2019296913	DHKOCKQJYORDBM-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1C=CCCCC1	2019495871	FVZKEHTWIADIMO-CQSZACIVSA-N	229.367	4.721	0	10	BJAE	
CCCC(=O)CC[C@H]1C[C@@H]1C1CCCCCC1	2022555427	XPKAEAMHIXXNPI-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CC[C@@](C)(O)CCC1CC(C)(C)CC(C)(C)C1	2024122501	IBLLQDOPSSORHI-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](CC)NCCC1CC(CC)C1	2025371665	RGNVJYQBCJESBJ-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
C1CCCC(CCNC2(C3CCCC3)CC2)CC1	2027374032	MZFAEJFXNFWOPS-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)NC[C@]1(CC2CCCC2)CC=CC[C@H]1C	2027921723	XRHXDXBWXMGRIP-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1C=Cc1cccc(N)c1	2031667874	UIJCMRWPYWONAM-UHFFFAOYSA-N	237.346	4.563	0	10	BJAE	
CC(C)Cc1cccc(C(=O)C[C@@H]2CC2(C)C)c1	2032427800	SUZFDOCXSRCHTH-OAHLLOKOSA-N	244.378	4.504	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2CCC[C@@H]2C)CC=CCC1	2032500611	GDPBLXBBDFYIDV-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NC2CC(C3CCCC3)C2)cc1C	2033778263	AOAIMJDPKXBSRG-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CC(C)(C)c1ccccc1NC1CC2(CCC2)C1	2034554987	RUYSPDGXGDFTLX-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1CCCCC12CCC2	2035888768	BNMOOKRRBDESEE-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@@H](C)[C@@H](C)CC(C)C	2036385178	UHSRRQWFLCVQPO-JYJNAYRXSA-N	247.426	4.716	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1)C1CCCC1	2036664311	JOBXYLIUTDTUKW-SVGFKBNWSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)[C@H]1CCC2(CCCC2)C1	2036770617	GDEOYGHGGKHZOW-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CCCCC[C@](C)(N)c1ccccc1C1CCC1	2037091706	IYHCHTLCELOJRU-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(C2=CCCCCC2)CC1	2037094845	UWKHEBFUSXRAMU-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)c1ccc(C)c(C)c1	2040726212	QJOAGXCBXFOJCR-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1NC[C@]1(C)CC=CCC1	2042070133	QSTHVOQSXAYEDD-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(C(=O)C2CC(C(C)(C)C)C2)cc1	2043001027	PFXBAJTYKDSBTR-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)[C@H]1C=CCCC1	2043188942	XCZOJMODMCJWSX-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C[C@@H]1CCN1C[C@H]1CCC=CCCC1	2045310462	DBHMWEHYTAOWJE-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(C[C@@H]2CCC=CCCC2)C1	2045318716	XUQAABBWBKWEOK-YYIAUSFCSA-N	249.442	4.667	0	10	BJAE	
CCCC1([C@H](C[C@H]2CC=CCC2)NCC)CCC1	2045800242	TWUBOHWWCKSGGD-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@H]1CCC12CCC2	2047929498	RGDIGRGCPXWUIN-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@H]1CCC12CCC2	2047961710	KLTHOYFIHOUZFI-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(NCC2[C@@H]3CCCCC[C@@H]23)CCCCCC1	2048453709	IHZXBVCOCFAXKY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](C)NC[C@H]2C=CCCC2)CC1	2049412974	UCAHGUQTAAOMBD-SOEBMCCKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C[C@@H]2C=CCCCC2)C1	2049565535	ZASAPMUTQYDYSJ-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
C1CCCCC(N[C@H]2C[C@H]3CC[C@H](C3)C2)CCC1	2049644933	FCGIHNPNJOVCKR-SCAQPMJSSA-N	249.442	4.658	0	10	BJAE	
CN[C@@H](C[C@H](C)CCC(C)C)c1ccc(C)cc1	2050441438	MZVUDNMGAONNMG-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1CCCC2(CC2)C1	2051401306	MYJQJQZRUCEBFQ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](N2CCCC3(CCCC3)CC2)C1	2051605304	XNMFQHHCHUSYJD-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CCCC[C@@H]2C2CCCC2)C1	2051678080	NOZWZWGLQUTXOT-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2CCCCC23CCC3)CCC1	2053411245	IYVAUHZUCCHAFG-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
FCCc1ccc(NCCC2=CCCCC2)cc1	2055638012	USIXZXWFOLNTKM-UHFFFAOYSA-N	247.357	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](C)Nc2ccc(CF)cc2)C1	2055678045	LZZSTTWXGVEPRK-UMVBOHGHSA-N	249.373	4.783	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C1(C)CC(C)C1	2056876268	OVZLPNBOWLMHIJ-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
N[C@H](C=C1CCCCC1)[C@]12CCCC[C@H]1CCC2	2056877693	BYAZEOYIGYEYQR-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
CC1(CC[C@@]2(N)CCCCC23CCCCC3)CC1	2059184113	QADXOWVCEAUFMD-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC=CCCC[C@@H](C)[C@@H](NCC)c1ccccc1	2059252022	DOYZADAKYUQFFI-NVXWUHKLSA-N	245.410	4.720	0	10	BJAE	
C=C=CCC[C@@H]1CCC(C)(C)CC[C@H]1NCCC	2061563801	SLGNMGJRKJQLBE-HZPDHXFCSA-N	249.442	4.692	0	10	BJAE	
C=C=CCC[C@@H](NCCC)C(C)(C)C1CCCC1	2061572533	RGLMQRCALWNBFM-MRXNPFEDSA-N	249.442	4.692	0	10	BJAE	
CC(C)CC(N)(CC(C)C)CC1CC(=C2CC2)C1	2061666084	WOZUJDQGCKRSFI-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CC[C@](O)(CC1CC(=C2CCC2)C1)C1CCCC1	2061685370	QFYCYYSBPNTZFU-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1CC(=C2CCC2)C1)C(C)(C)C	2061726326	ORXRWKPDWMHAKW-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1CC2(C1)CC21CC1	2063998846	DCNJAXDBCKMNNR-BOLLXYOYSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1CC12CCC(CC1)CC2	2065335524	QHFJZKWLOYMTSU-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1(C)CCCC1)c1ccccc1	2067507325	ANEVYRSCJWAHMP-GOEBONIOSA-N	245.410	4.696	0	10	BJAE	
CCCC1(C[C@H](O)C2CC(=C3CCC3)C2)CCC1	2069332172	CFCDJDMNKXNWBW-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H](NC)c2cc(C)c(C)o2)CCC1	2069338038	RWBZHWDLHYVWDN-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
CCOc1cccc(N[C@H](C)CCC=C(C)C)c1	2070397522	IEYMXCTVWVDXSG-CQSZACIVSA-N	247.382	4.632	0	10	BJAE	
CC(C)(C)C1(NCC2CCC3(CC2)CC3)CCC1	2071891033	WNMYYYMRQSWVRZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H]1CC[C@@H]1N(C)CCC1=CCCCC1	2075147790	XHRDSVLMBYVEHI-SJORKVTESA-N	249.442	4.633	0	10	BJAE	
CC[C@](O)(CCC1=CCCCC1)c1ccccc1	2075714085	AYCYMPYTXQSLSQ-KRWDZBQOSA-N	244.378	4.565	0	10	BJAE	
CC=C(CC)C[C@@H](NCCC)c1ccccc1C	2077197494	RDSDSQBKVJKSCS-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CCCCC[C@](C)(O)c1ccc(CCCC)cc1	2078004090	UYPYBKSBQSCZKF-KRWDZBQOSA-N	248.410	4.817	0	10	BJAE	
NC1(C[C@H]2C[C@H]2C2CCC2)CCCCCCCC1	2079444836	DBXAOLZUOFRTJZ-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(NC[C@H]2C[C@H]2C2CCCCC2)cc1	2079638339	BXGYMYKSBUWHSP-WBVHZDCISA-N	243.394	4.623	0	10	BJAE	
N[C@H](C[C@@H]1C[C@H]1C1CCCCC1)C1CCCCC1	2079645206	PQONQDSCBUFGHC-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCC1)[C@H]1C[C@@H]1C1CCCCC1	2079833682	WRLCGMFLUYAPCA-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@]1(N)CCCCC12CCCC2	2079869684	GOFPPYBVWHFKOF-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](C)c1ccccc1CC	2081210549	YWNJLBXDLFPNAL-PBHICJAKSA-N	247.426	4.521	0	10	BJAE	
CC(C)(C)c1ccc(NCC(F)=C2CCC2)cc1	2081671140	VNOSURBYQXHXSA-UHFFFAOYSA-N	247.357	4.804	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)c1cc(C)cc(C)c1C	2082929167	AVYZGNYXVYNTRG-DYVFJYSZSA-N	247.426	4.699	0	10	BJAE	
CN[C@H](CCC=C(C)C)c1cc(C)cc(C)c1C	2082930314	PKTGHBYZPLMJOE-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2082982656	MMNIOIPMTJJNIP-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)c1cccc(C(C)(C)C)c1	2083553475	BJENNBVPDMUYET-OAHLLOKOSA-N	248.410	4.700	0	10	BJAE	
F[C@@H]1CC[C@@H](CC/C=C/c2ccccc2)C1	2210661944	HMKWDYBPAXOZGN-GMLRFVCHSA-N	218.315	4.618	0	10	BJAE	
CCCCCC[C@](C)(N)CC[C@H]1C[C@H]1CC	2211568154	YLYVDMYCWYZMTO-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CC(C)[C@](C)(N)CCCCCCCC1CC1	2212448131	KFYRZQJEUAISOP-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC1=CCC[C@]1(N)CCCCCCC1CC1	2213580377	YZYHRPOWNWVTAE-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(CCCCC2CC2)C1	2214563151	OQIMLQNWUPJFOS-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC[C@H](N)C1CCCCC1)CC(C)(C)C	2214765247	HPJYXMXMLQKFLV-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)[C@H](N)c1c(C)cccc1C	2215996392	IFEFAKILKAWWHS-INIZCTEOSA-N	233.399	4.520	0	10	BJAE	
CCCC[C@@H](CCCCCC(F)F)NCCC	2216424833	PLXHNLQQZZPUIT-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
NCC1(CCCCCCCC2CC2)CCCC1	2216861174	UEMMGVOKADLLAY-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CC1=CCC[C@]1(N)CCCCCCCC1CC1	2216878017	SFJOJBOHXGLZQE-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CCCCCCCC2CC2)C1	2216896521	IUQLMYSJWBTVNB-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)C[C@]1(CN[C@@H](C)CC)CCC[C@H]1C	2217153237	KOQHPSDFIMPTAI-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN(CC2CCCCC2)C1	2218143494	IIDZPOKYXUYGEF-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C1(C2CCC2)CC1	2218718047	JYEXGKNBOHWSHF-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCC1CC(=C2CCC2)C1)C1CCCCC1	2220303882	WBCPLETZZCDYNW-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC1(CNCCCC2CCCC2)CC2(CCC2)C1	2221028442	PYGYAOYWHKNSKC-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1	2221628812	DIRXFMKYUBKBRA-HHARLNAUSA-N	249.442	4.523	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@H]2CCCC(C)(C)C2)CC1	2221640407	LZCWURGWJGHSTO-YOEHRIQHSA-N	248.410	4.908	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CCN[C@H]1C1CC1	2223132869	OZQWKNLSRTXQMB-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC2CCC2)CCCC12CCC2	2223541495	IYNNZOQWSZMSNS-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@]1(CNC1CCC1)C1CCC1	2223564553	IHGWIBAPCNIRHU-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@@H](CC)CCC	2244785706	XITHPDWLZBWEIW-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC[C@H]1CCC[C@@H](C)C1	2246729679	CIQHSESUAPAJJT-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H]1Cn1ccc2c(Cl)cccc21	2247400750	WKYZUSZZOXLQMP-NSHDSACASA-N	247.769	4.731	0	10	BJAE	
Cc1ccccc1OCCCCC[C@H]1C[C@@H]1C	2248813849	IVFWBKIHWMWWKM-GJZGRUSLSA-N	232.367	4.590	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@H]1CCCC(C)(C)C1	2250354367	CMQGXABMDFJIDI-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)[C@@](C)(N)CC[C@H](C)CCCC(C)C	2250473554	FCBQECLBACBXIQ-PMPSAXMXSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](CN)CC(C)C	2250530128	STIKQLMWFOCABF-HZPDHXFCSA-N	241.463	4.850	0	10	BJAE	
CC(C)CCCCCC(=O)[C@]12CCC[C@H]1CC2	2251118652	OJTHPNUNRZCNPT-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
Cc1csc(C(=O)C[C@]23CCC[C@H]2CC3)c1C	2251192316	AQCHDPHQBPAAMP-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
CCC[C@](O)(C[C@]12CCC[C@H]1CC2)C(C)(C)C	2251214962	IAARZYMYJMLJJP-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@]12CCCC[C@@H]1CC2	2251217448	GRXCVCQNQTYTMG-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)C[C@@H]3CCCC[C@@H]32)C1	2253932585	UYONACZTPVZHJA-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1	2253936902	GAJYYFDQYYKBEE-NPCUJANDSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C)c1cccc(CCC=C(C)C)c1	2254223689	JDURHKHTMRSGDH-HNNXBMFYSA-N	245.410	4.646	0	10	BJAE	
CCCNCC1(CCCC[C@@H]2C[C@@H]2C)CC=CC1	2254593753	IUVBCFPPWZAVHY-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C)c(C(=O)CCCC[C@H]2C[C@@H]2C)c1	2254609362	MAOZCWLACQRZSB-GJZGRUSLSA-N	244.378	4.703	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)C[C@@H]1CCC12CCC2	2254974730	QYEVXBYQTKWBBM-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H](N)C1CC2(CCCCC2)C1	2255027894	MTHKDPUCWLVXLL-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@]1(C)C=CCC1	2255063717	MPSFMGRQKGIPLC-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCCC1(CNCC[C@@H]2CCCC23CC3)CCC1	2255226321	VTKZVULFJBIYGB-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCCc1ccc([C@@H](O)CC2(CC)CCC2)cc1	2256316835	GOQYBZOWZSACQI-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CC[C@H]2CCC[C@H]21	2257318045	AZTRYLHRCYWXEM-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2C[C@H]3CCC[C@H]32)c1	2257883858	BRMUIKVFUPXVHV-DAXOMENPSA-N	243.394	4.585	0	10	BJAE	
Cc1cc(NC(=N)C2CCCCC2)cc(C)c1C	2258242546	HRJIJTGBPFKFBM-UHFFFAOYSA-N	244.382	4.581	0	10	BJAE	
C1CCC(CCCNC[C@]23CCC[C@H]2CC3)CC1	2260534255	HAOOZWHGMKVMFI-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)C[C@@]12CCCC[C@@H]1CC2	2260668256	FDPVINGHNBIASK-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)[C@@](C)(O)c1cccc(C2CCCC2)c1	2260732053	UREIFQYEJVGESA-SUMWQHHRSA-N	246.394	4.598	0	10	BJAE	
CC1CC(CCC(=O)C[C@@H]2CC3CCC2CC3)C1	2261504042	RBBVEGGHFOMPKJ-AXJCJWBSSA-N	248.410	4.598	0	10	BJAE	
Clc1ccc(C2CC2)cc1NCC1CC=CC1	2300669497	KAQSCQTVIBVLJI-UHFFFAOYSA-N	247.769	4.596	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCC[C@H]1C(C)C	2300688794	QLTVXYXHZDVNBB-GJZGRUSLSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](CC=C(C)CC)C1	2300896484	IVTAGPBIDOQWDT-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CCCCC[C@H]1C(C)C	2300902155	QWKLNQLFJGOXQF-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CC1CCCCCC1	2301144793	HSJLJIFCRFEVFM-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(F)ccc1C(C)C	2301909062	YZOAZZNBRRBMGK-CYBMUJFWSA-N	237.362	4.940	0	10	BJAE	
CCSc1cccc(N[C@@H]2CC(C)(C)[C@H]2C)c1	2302088230	WFOLIVITQNGYGP-SMDDNHRTSA-N	249.423	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)CCCCC2CC2)C1	2302570543	ZVKGWOVBQMMNQV-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC[C@@H]1CCC(C)(C)C1)CNC(C)(C)C	2302760641	KGUMKVCWGUKGHB-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCc1cscc1NC[C@H]1CC(C)=C[C@@H](C)C1	2302893708	XTZNXKLQGVYTNQ-DGCLKSJQSA-N	249.423	4.715	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCCCC12CC2	2307760008	CTFAALUPAFYGQP-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@@H]1C)C[C@H](CC)CCC	2307897030	ZGEPNHPZDHQYQD-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CC[C@@H]1C(C)(C)C	2307904652	UEVZJQOCQCZUOZ-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@H]1CCC[C@@H]2C[C@H]12	2308937923	ZANDEOCMPXESJB-WCVJEAGWSA-N	246.394	4.518	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)C[C@@H]3CCC[C@@H]3C2)CC1	2311022107	HMXGYTAUQQHAQR-RDSHKEJNSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2312465125	KJPBFZLNAODXON-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](N)CC[C@@H]1CCCCC12CC2	2312667632	NPAAZMUTTFMFBE-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H](N)C1(C)CCC2(CC2)CC1	2313581496	SCSKYNSKQXQPOH-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N1CC[C@@H]1C1CCCCCC1	2313654086	GBORJPQHSYPGGV-RHSMWYFYSA-N	249.442	4.610	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@@H](C)[C@H](C)C(C)C)cc1	2317859984	WBOTZYVGODDDJI-JKIFEVAISA-N	247.426	4.738	0	10	BJAE	
CCC1(C)CC([C@@H](N)CCCC2=CCCCC2)C1	2318595601	RGOKPLUARYAIQR-CGZBRXJRSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)CCCC1=CCCCC1	2318942798	AGOICDBCVAQZNZ-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc([C@H](N)C[C@@H]2CCC(C)(C)C2)cc1C	2319023832	ISURSYVOEXKARP-GOEBONIOSA-N	245.410	4.520	0	10	BJAE	
CC(C)c1ncccc1C(=O)CCCC(C)(C)C	2319470458	URDROCBNZNQVTQ-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
Cc1cc(C)cc(NCC[C@H]2CC[C@H]2C2CC2)c1	2319738849	RDJGDBJSAWIEOM-WBVHZDCISA-N	243.394	4.542	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)c2ccccc2C)CC1	2320412160	NDLCDAWJAWTCNV-HZPDHXFCSA-N	243.394	4.535	0	10	BJAE	
CC(C)CC12CC([C@@]3(N)CCC[C@@H](C)CC3)(C1)C2	2321588072	CZLVDBOUXKXONR-RDHHWEPZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@](N)(CC2CC2)C2CC2)C1	2321601885	BVZCWDDYIZLDHA-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cc(C)ccc1C(C)C	2327677028	DLZHRVZXFYFYNU-WMLDXEAASA-N	248.410	4.978	0	10	BJAE	
CC(C)=CCC[C@@H](C)c1ccc(C)cc1	968471	VMYXUZSZMNBRCN-CQSZACIVSA-N	202.341	4.845	0	10	BJAE	biogenic,in-man
Fc1c(Cl)cccc1NC1CCCCCC1	20472466	DNOJTNNHTSXDIF-UHFFFAOYSA-N	241.737	4.614	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1ccc(C(C)C)cc1	36820155	DRAJVRQYRFJWGA-KRWDZBQOSA-N	247.426	4.897	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@@H]1CCC[C@H](C)C1	37253765	ICHHHXVAICPMHB-LSDHHAIUSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](NC(C)(C)CC(C)(C)C)c1ccsc1	50342593	PLFCXBTZIHPACJ-LLVKDONJSA-N	239.428	4.614	0	10	BJAE	
CCCCCC[C@@H](CCC)CNC(C)(C)C	71127011	CZDLBUJJZMDHAO-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
Cc1cc([C@H](C)N[C@H]2CCCC(C)(C)C2)c(C)o1	79978940	PNPCIDGYFCWSLJ-JSGCOSHPSA-N	249.398	4.516	0	10	BJAE	
CC[C@H](C)c1cccc2cc([C@H](CC)NC)oc12	88074920	CLQABSFKBOACBU-FZMZJTMJSA-N	245.366	4.617	0	10	BJAE	
CC(C)(C)C(=O)c1ccc(Cl)c2ccccc12	93655816	WZOLDGLJDJLECA-UHFFFAOYSA-N	246.737	4.722	0	10	BJAE	
CC[C@H](CCCN)c1ccc(C)c(C(C)(C)C)c1	107635948	QVIBEEGOEVKKKZ-CQSZACIVSA-N	247.426	4.525	0	10	BJAE	
CC(C)(C)NC[C@@H]1CC12CCC1(CCCC1)CC2	130178060	YYSNYJPBKIDUQH-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C(CCC)CCC)[C@@H](C)CC	132849375	YFBRZESQYRKTJX-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CCCCC/C=C/C=C/C=C\Br	143647560	VDIWLRCSQFHHQJ-ZUGARUELSA-N	229.161	4.588	0	10	BJAE	
C[C@@H](N[C@H]1CCCC1(C)C)C1CCCCCC1	150028652	UCKZUCQLVQCBTJ-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1ccc(-c2nc(Cl)cs2)cc1	165408321	QQNKUFGSROYXHZ-UHFFFAOYSA-N	237.755	4.587	0	10	BJAE	
CCCC1CCC([C@@H](O)CCCC(C)C)CC1	165752156	VXHFTEDJBFDDBU-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)N[C@@H](CCC)CCCC	225995097	QTLKLJMZNWRANJ-KBPBESRZSA-N	213.409	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCC[C@@H](C(C)C)CC1	226703029	YEUFXTROBTZOMB-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@@H](N[C@H](C)CC1CCC1)c1ccccc1	229677870	KHTKIVZTLVNLQK-RHSMWYFYSA-N	245.410	4.552	0	10	BJAE	
CCN[C@H](C=C(C)C)c1cc2ccccc2s1	229744736	ALIGSTLGOANFGF-CYBMUJFWSA-N	245.391	4.518	0	10	BJAE	
CC[C@@H](C)c1ccc2oc(CN)c(C(C)C)c2c1	232354928	DRPLAGSYXOKGGJ-LLVKDONJSA-N	245.366	4.528	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](C)CC[C@H]1CN	251388227	STIXOPYIBGEAOE-VGWMRTNUSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@H](c1ccc(C(C)C)cc1)[C@H]1C[C@H]1C	252371557	BIZRLGRHKWNEJK-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1ccccc1Cl	300848281	KQODENJHROPHFI-CYBMUJFWSA-N	239.790	4.556	0	10	BJAE	
CC(C)C[C@@H](C)CNCc1ccc(C(C)C)cc1	302305390	HSQBASMVMFWYLP-OAHLLOKOSA-N	247.426	4.582	0	10	BJAE	
CCc1cccc2ccn(C[C@H](C)CC(C)C)c12	302448520	XCWRLNWEKCGBGD-CQSZACIVSA-N	243.394	4.886	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1ccc(CC)c(CC)c1	305948676	CLNLWCSGSUOENW-CXAGYDPISA-N	247.426	4.638	0	10	BJAE	
CCc1cc2sc(Cl)cc2cc1Cl	307354798	RZSKMBJOMYDULP-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)C(C(C)C)C(C)C	310160513	LDPXEHVHGFOCHO-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
Cc1cccc([C@@H]2C[C@H](C)c3ccccc3N2)c1	310754158	IZDVPKASRFHBCS-GUYCJALGSA-N	237.346	4.655	0	10	BJAE	
CC1(C)CCC(CC(=O)c2ccccc2F)CC1	311031186	SQXQEICDAIRPKW-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1C	315238476	XRHQBEOGOXASKU-WBTNSWJXSA-N	243.394	4.540	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CC)CCC[C@H](CC)C1	318455251	QDSFTZCHDAMENX-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](Nc1ccsc1Cl)C1CCC1	322564754	RPVMGMWUWDQJBB-JTQLQIEISA-N	243.803	4.782	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](C)c1csc(C)c1	381638014	WOLLOBNDZSDVGK-VXGBXAGGSA-N	239.428	4.532	0	10	BJAE	
CC(C)C[C@H](CCCC(C)(C)C)CNC1CC1	382667932	XTYXWBJFACHDMM-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CCCCCC(C)C)CNCC	383212119	CKLLDXAWTIEQPJ-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@H]2C=CCCCCC2)C1	385053835	DHBRVBUNEDENRY-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cccc(C(F)F)c2)C1	386151127	IVKGOVKYNASNQZ-GXFFZTMASA-N	239.309	4.615	0	10	BJAE	
Cc1cscc1N[C@@H]1CCCC[C@@H]1C(C)C	387359374	UKRSAEDGISKLFS-CHWSQXEVSA-N	237.412	4.683	0	10	BJAE	
CC(C)CC[C@H](C)NCCC1CCCCCC1	394569546	KTRFPBVKKRDGKY-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)c1cccc(C)c1C	401276369	PRPPZBYJJKGEGY-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
N[C@H](C[C@@H]1CC[C@H]2C[C@@H]2C1)C1CCCCCCC1	403808211	HGYKPUOUFDYNTJ-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)c1coc2ccccc12	404298942	PGHXMTBVGJUROI-AWEZNQCLSA-N	245.366	4.505	0	10	BJAE	
CCC1(CNc2cccc(Cl)c2Cl)CC1	687537070	IICHTHFRLHGKRC-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](CCCC1CCC1)NC	688399103	REBNFRNWSSEPRJ-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H](C)CC(C)C	690188490	FVBFGFXHPNSAGY-CQSZACIVSA-N	247.426	4.966	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCCC[C@@H]2C)cc1	691068935	CJKGXKNAMHCROC-XJKSGUPXSA-N	231.383	4.630	0	10	BJAE	
c1ccc2cc(N[C@]34CCCC[C@@H]3C4)ccc2c1	693160294	GALQJAUNEGIHNB-WBVHZDCISA-N	237.346	4.584	0	10	BJAE	
CCCC[C@H](/C=C1/[C@@H]2CCCN[C@H]2C1(C)C)CC	693764831	VJQFGQNHKFOWGX-KDVVFZKISA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@H]1CCCC2(CC2)C1)c1ccsc1	695710321	SHZSUESQMYEURY-KBPBESRZSA-N	249.423	4.512	0	10	BJAE	
CC[C@H](C)CCN[C@@H]1CCCCC[C@H]1C(C)C	696216603	SNSIFFVTXOZDCV-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CC2CCC1CC2	696546115	NZJYHZGPJXDHBM-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](O)(CCC(C)(C)CC)C1CCCC1	696708628	CEOAYOMTSPTSIV-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC(C)=CCCCc1c(C)cc(C)cc1C	697988461	WEZMPQQLAYOBNN-UHFFFAOYSA-N	216.368	4.901	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@H](N)C[C@H]2CC=CCC2)C1(C)C	698988944	OYJREONWIUATPB-JYYAWHABSA-N	249.442	4.523	0	10	BJAE	
CC(C)NC[C@@]1([C@@H]2C=CCCCCC2)CC1(C)C	702215111	MRSCJDNYOAMHFH-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@]1(CCC2=CCCCC2)CC1(C)C	702228145	RXVBPBNCPOLEJU-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@]1(C)C[C@H]1C	704333566	FXNUOLKMRRWJQQ-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
C1CCCC(CCNC[C@@H]2CCCC23CC3)CC1	707136105	SAVYQLSAPQNQRS-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@@H]2CCC[C@@H]21	707736284	IGXTUVYIWPVQNH-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CC[C@@H]3CCC[C@@H]32)c1	707855621	DHIZVPSRIJBPRJ-SGMGOOAPSA-N	249.785	4.639	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC(C)(C)CCNC1CC1	709081595	QMIGEHKOEYCPRN-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)[C@H](C)CC(C)(C)C)C[C@@H]1C	709262366	OGIADNOCUGCIOR-IGQOVBAYSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@H](C)Nc1csc(C)c1	710699569	YJJZVDZOAXFSEV-NSHDSACASA-N	225.401	4.827	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@@H](CC)C(C)(C)C)NCC	711071972	PPIHKSNTQHXHAK-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CC(=O)[C@@H]1CCCC[C@@H]1C)C(C)(C)C	711093051	IGEMMIYYOULMOD-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](N[C@H]1C[C@H]2CC[C@H](C2)C1)C1CCCCC1	711165482	DECPWQSWAHCMJM-FSDCSDTHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC(=O)C1CCCCCCC1)C(C)(C)C	711189999	GWBLWYCENOTBNM-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
C[C@@H](C[C@@H](CN)C1CCCCCC1)C(C)(C)C	711211245	WEPJBYKPNHIOAI-ZFWWWQNUSA-N	239.447	4.604	0	10	BJAE	
CC[C@H](C[C@H](N)c1sccc1C)C(C)(C)C	711212902	XARMOXCBBWUACW-NEPJUHHUSA-N	239.428	4.519	0	10	BJAE	
Cc1ccc(Cl)cc1OC[C@@H](C)C(C)(C)C	711230911	LIGIRUGILWXNSL-LLVKDONJSA-N	240.774	4.709	0	10	BJAE	
CC(C)C(C)(C)CNc1ccc2c(c1)CCCC2	713153663	YVQDRXPSPOPGQJ-UHFFFAOYSA-N	245.410	4.660	0	10	BJAE	
CCc1cccc2ccn(CC(C)(C)CC)c12	713242391	YHTNINBQZBGQJE-UHFFFAOYSA-N	229.367	4.640	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@H]1CC[C@H](CC)CC1	713252851	WXMPSBDUYZJVRL-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1(CN)CCC=CCC1)C1CCCCC1	718044698	HUZAROARGFWDPI-OAHLLOKOSA-N	249.442	4.668	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)C(C)(C)C(C)(C)C	718602359	TUQGOMGTZUHEMC-CYBMUJFWSA-N	226.404	4.556	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1ccc(C)c(C)c1	718623221	GRVIIJSEIGERBJ-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(CN)CCC=CCCC1	718971103	OJOXMCLUNKLYTK-CVEARBPZSA-N	237.431	4.524	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCCC[C@H]1C	719151909	WMBOEEUWQYKXQC-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CC12CCCCC2	719297355	KIYKYVAQACESBI-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CN[C@H](CCC(C)C)c1cccc(C(C)(C)C)c1	821963907	TVRHASQXPBLHCG-MRXNPFEDSA-N	247.426	4.681	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@H](C1CCCC1)C1CCC1	1560900704	GYVQACHMGUWSSM-SUMWQHHRSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)CCNC[C@H]1CCCC(C)(C)C1	1663165264	OQGMVHIOZKKJDZ-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@](O)(CC)C1CCCC1	1900693951	TTWQOJATYROQFQ-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@@H]1C[C@H]1CC	1906211733	UTOSWDOVYFOVST-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
c1cc(NC[C@@]23CCC[C@@H]2C3)c2sccc2c1	1909372484	ZRCCRQKPZILFJX-DOMZBBRYSA-N	243.375	4.503	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H]1C[C@H]1C(C)(C)C	1910649972	XTNFHEUNKBHHSO-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)C1(C)CCCCCC1	1910739346	FVEVVFPTMFOENM-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCCC1(CNC)CCC(C(C)C)CC1	1911963755	BBFNXZYOEIRHPP-UHFFFAOYSA-N	249.442	4.561	0	10	BJAE	
CC[C@](O)(CCC=Cc1ccccc1)C(C)(C)C	1912123737	CKENMQUQFBHXBG-KRWDZBQOSA-N	246.394	4.667	0	10	BJAE	
CCCC=CCNc1ccc(CC)c(Cl)c1	1914677244	XRGHTFMZDJQRBB-UHFFFAOYSA-N	237.774	4.671	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC1CCC(C)CC1	1920201794	IPKJTCNTJQYZBZ-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
CC1CCC(C[C@H](N)[C@@H]2CCCC23CCC3)CC1	1921587284	VJBICDYCRBRUST-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
Fc1cccc(Cl)c1C[C@@H]1C=CCCCC1	1925817841	VBQGFYPPNJTAIQ-LLVKDONJSA-N	238.733	4.768	0	10	BJAE	
C1=C[C@H](Cc2cccc3cnsc23)CCCC1	1925855054	SDIMBPXSTAGHKO-LBPRGKRZSA-N	243.375	4.585	0	10	BJAE	
CCN[C@H](CC[C@H]1C=CCCCC1)C1CCCC1	1925886431	DPVYOUMZIAFNGH-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCCC1)C1CCCCC1	1925925665	CEYQOCRBAMCBSZ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1C=CCCCC1)C(C)C	1925944389	DKVQSNDMVZRIJK-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCCC[C@@H]1CC	1926211099	AUUNERHIKMSFSL-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1CC1(C)CCCCC1	1940417191	VOXYYJLRSRMCBL-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CNC(C)C)C1CC1	1942089710	RJTYPDGKDPVGHE-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)NCC1(C2CCCCC2)CC1	1942578254	UTEGBTIREFMKOE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@]12CCCC[C@@H]1CCC2	1944140981	HMFFAPVEPVCUTL-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C(=O)[C@@]23CCCC[C@@H]2CCC3)cs1	1944223943	VDSVEAFCNJYJRR-UKRRQHHQSA-N	248.391	4.600	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccccc1C1(C)CC1	1944596020	JVRJBQXJSQAAKH-CHWSQXEVSA-N	231.383	4.585	0	10	BJAE	
CCCC[C@H](C)Nc1cccc(C2(C)CC2)c1	1944600991	YVXDCWHZAHWZPG-ZDUSSCGKSA-N	231.383	4.729	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1c(C)coc1C	1947529893	RCPLKTDJILYLQA-UONOGXRCSA-N	237.387	4.503	0	10	BJAE	
CCCC[C@H](CC[C@H]1CCC[C@@H]1C)NCCC	1948424907	HQUZVVGMIYLYJH-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC1=CCCCCC1)CC(C)C	1948838534	QVZJXPUYLORLRT-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CC12CCCCC2	1950603100	XRADMKQFIDSZNG-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(CN)CCC[C@@H](C)CC1	1950925407	SWEOZTFNVPZCMT-ZBFHGGJFSA-N	239.447	4.604	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@@H]1CCC[C@H](C)CC1	1950930914	SIBRZHVESIETMH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CN(C)CC[C@@H]1CCC[C@@H](C)C1	1964262656	STFDNHWWUNPZDB-PMPSAXMXSA-N	239.447	4.571	0	10	BJAE	
Cc1cccc(NC2CC(C)(C)C(C)(C)C2)c1	1968252108	NCMVRSOTLIKINJ-UHFFFAOYSA-N	231.383	4.622	0	10	BJAE	
C[C@@H](Nc1cccc(Cl)c1)C1CC2(CCC2)C1	1968262251	ICKKGPWBODANPK-LLVKDONJSA-N	249.785	4.721	0	10	BJAE	
CC[C@H](C)[C@H](C)NC1CCCCCCCC1	1980336451	JZDZSNWKORMETJ-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCC(=O)[C@@H]1C	1982806952	ASJUPTAVLUQMQN-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCCC1(C[C@H](N)CCCC(C)C)CCC1	1988462299	SREWUQMZFYTUMY-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)CCC[C@H]1C[C@@H]1C	1990091386	MWZZUQOZGQKIMX-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc(CC[C@H]2C=CCCC2)c1C	1994008720	HCIFLNABOVJFPR-HNNXBMFYSA-N	214.352	4.592	0	10	BJAE	
CC1(C)CC(c2cc3cc(Cl)ccc3[nH]2)C1	1994130713	NMEALCRZWLCWPL-UHFFFAOYSA-N	233.742	4.725	0	10	BJAE	
FC(F)(F)c1nc(C2CCCCCC2)cs1	1995497799	FYTMTWARHCSZNZ-UHFFFAOYSA-N	249.301	4.600	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)CCC1CC1	1996359962	HNKFDRZNGFWHBR-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](C)(O)C1CCC(C)CC1	1996547262	NIULFWKHKYWPML-KNIAUWFNSA-N	240.431	4.636	0	10	BJAE	
CC[C@@](N)(C1CCCCCC1)C1CCCCC1	1996594964	RECUFVWOAYYCSH-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CC=CCC1)C1CCCCC1	1997603779	IAGCZGFSEZCBJA-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](C)CCC[C@@H]1CCC=CCCC1	1999994646	WXXWIQCZNLDBKW-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)[C@@H]2CCCC(C)(C)C2)C1	2000100048	SJWAKAVRDLXPRK-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)C1(C(C)C)CCC1	2000371974	KABYLTQWTGBPDF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CN)[C@@H]1CCC2(CCCC2)C1	2000501906	JALUMVVZHPMZKT-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@@H]1CC12CCCCC2	2001252791	FMKCEMKHDZVUKD-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2002771713	JDBOTXQLLHEFDG-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1CCC2(CC2)C1)NCC	2003211137	KYYTVVOHQICKQA-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H](C)CC(C)(C)C	2004225628	JUHAMBYCLGMLHK-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CNC[C@]1(CCC(C)(C)C)CCCCC1(C)C	2005584571	XOGNVTGZBVCTSK-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CO)CCC1CCCCC1	2005587608	YEPXZIXXLIQAFA-ZBFHGGJFSA-N	238.415	4.536	0	10	BJAE	
CCN[C@@H](C(CC)CC)C1(C)CCC(C)CC1	2007694047	GPJHHOMSAIYZDD-SIWZUTFBSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC(C)(C)C)C1=CC[C@H](CC)CC1	2010711904	DYBVRTNHOJEPCO-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C1=CCC(C)(C)CC1	2010726152	NVUXFCDMWVOKEM-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@](CC)(CO)CC12CCC(CC1)C2	2012821377	XRJGUZWTXBBHTG-PCKAHOCUSA-N	238.415	4.536	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1CCCC12CCC2	2013266566	IAOVNLQJXCCRPT-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CN[C@H](CCC(C(C)C)C(C)C)[C@@H](C)C(C)C	2015359006	BZRCNFIGSTXODJ-GOEBONIOSA-N	241.463	4.575	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CCC[C@H](C)C2)CC1	2015741406	AKDFMPMVVPKDMR-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CC1(C(C)(C)C)CCC1	2017112746	REERGFVKPBSLRD-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2(C(C)(C)C)CCC2)C1	2017132117	ZCEUORUDVVJCNQ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC1(C(C)C)CCC1)NCCC	2017140935	LPKUBFNCOHFSMG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNC(C)C)CCC[C@H]1C	2017467301	VJYLOQFPMOAVRE-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@H]1CC[C@H](C)CC1	2017651437	UBUKKGVVLUHQPO-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H](CCC(C)C)C[C@H]1CC[C@H](C)CC1	2017722348	POOJEKISJDRICX-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CC[C@@H](N)[C@H](C)CC)CC1	2017737140	ZWRTXFZMEMBUQB-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](CC)NCC[C@@H]1CC=CCC1	2018127784	NVMXRXQKEOTBQC-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@]1(C)C=CCCC1	2018130299	NULZEVPWHYGLAS-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCC2=CCCCC2)C1	2019769420	QWHNMDXQOTZKCP-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H]1CCC(C)(C)C1	2020970325	BDXIZJPTUWMCDA-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCCN(C[C@H]1C[C@H]1C(C)(C)C)C(C)C	2022620509	NOAPDUSGMGBTGF-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](C)CCC(C)C	2023448588	QHWZHAMMAPBQAZ-GFCCVEGCSA-N	237.362	4.625	0	10	BJAE	
O=C(CCCC1(F)CCC1)CC1CCCCC1	2025249249	YCFCWMNPVJWTTE-UHFFFAOYSA-N	240.362	4.588	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H](C)CC(F)F	2026075200	SXDGGUOFNMNWJS-VXGBXAGGSA-N	248.357	4.843	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H]1C[C@](C)(F)C1	2026078261	BNGFSMXWXGQTGQ-UMVBOHGHSA-N	242.378	4.690	0	10	BJAE	
CC(C)CC[C@](C)(N)Cc1ccccc1C(C)C	2027466275	OPDDHRVEXLKIQC-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@H](C)C1CCC1	2027517200	DUGVGVMBXYAZGD-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)CCC1=CCCCC1	2027877488	DWUVHSQVYXWJCZ-DTZQCDIJSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc([C@H](N)CCCCCC2CC2)cc1C	2028630873	KBWBWEKCHXETCD-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@@H]1CCC(C)(C)C1	2033400181	IOXRWHHNIATQBU-CJNGLKHVSA-N	246.394	4.670	0	10	BJAE	
CC1(C[C@@H]2C[C@@H]3CCCC[C@H]3C2=O)CCCCC1	2034257778	NGMWPSQGUXOLGS-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CCCc1cccc([C@@](C)(O)[C@H](C)CC(C)C)c1	2036375531	PYNCNOABHWDIGL-PBHICJAKSA-N	248.410	4.529	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)[C@H]1CCC2(CCCC2)C1	2036770618	GDEOYGHGGKHZOW-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)c1cc(C)ccc1C	2037168446	HWZNJVHDTADPKL-KRWDZBQOSA-N	245.410	4.614	0	10	BJAE	
NC1(C[C@@H]2C=CCCC2)CCC2(CCCC2)CC1	2037305605	TZBLDDQRPMHUTD-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
CCC(C)(C)C1CCC(N)(C[C@@H]2C=CCC2)CC1	2037305664	FSGKJWIPWDHCMJ-HPUBIQBYSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)[C@H]1CCC2(CCCC2)C1	2037680139	WUOPQRLMKYZHCG-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC2(CCCC2)C1)C1CC1	2037696736	BIZFEZXGCMZEAU-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc([C@@H]3CCCC[C@H]3C)[nH]c21	2038010169	QGIVPUGPMIQPEY-FVCCEPFGSA-N	246.398	4.704	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1C[C@H]2CCC[C@@H]2C1	2038550369	UDJUSGOOQXWWIR-ANQUJSFKSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@H]2CC23CCCCC3)C1	2039059583	VPWLEBKTZIVECD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc3c([nH]2)[C@H](C)CCC3)CC1	2039371532	XHUCVIMVGIJSNF-UPJWGTAASA-N	246.398	4.533	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)C1CC2(C1)CC(C)(C)C2	2039420954	IUESUPCTMPJPSG-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)NCC1CC2(C1)CC1(CCC1)C2	2039457515	IGIPKIOHJJTPCY-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2CC[C@H]3C[C@@H]3C2)CCCCC1	2039847919	FBTRRMUGQUHKIH-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@]1(C)N[C@H]1CCC2(CCCC2)C1	2041736908	QGPNSSGUJRYYGQ-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)C[C@@H]1CCN1C[C@@H]1CCC=CCCC1	2045310461	DBHMWEHYTAOWJE-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC(=C[C@@H]1CCC=CCCC1)c1ccc(N)cc1	2045316828	HITRPZOIXLBOGT-OAHLLOKOSA-N	241.378	4.809	0	10	BJAE	
C[C@@H](CC(=O)CC1(C)CCCC1)c1ccccc1	2045560350	MWBICIDEHRWCHN-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	2048466317	WFFVGNKPKPQCEU-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1[C@H]2CCCCC[C@H]12)C1CCCCCC1	2048466430	XQOQLWBSJJPIIL-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC2[C@H]3CCCCC[C@H]23)C1	2048468438	GEHAXBNMDMNMDN-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC[C@]1(C)CCCN(C[C@H]2C=CCCCC2)CC1	2051605090	UVLMVJQHHSVGJL-DLBZAZTESA-N	249.442	4.635	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@H]2CC[C@H]21	2052287265	WMRJAAJNIZJQSO-ARFHVFGLSA-N	243.394	4.548	0	10	BJAE	
C1CCC(CCNC[C@@H]2CCCCC23CCC3)C1	2053429178	ITSCUOGYZDXYPL-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)C[C@](C)(F)CC3	2053856653	ORQJBSTTYTUENJ-MRXNPFEDSA-N	245.341	4.508	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H](C)C1CCC(C)(C)CC1	2055677352	HZGKIRLWLUASFL-ZBFHGGJFSA-N	249.442	4.680	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC2CC(C3CC3)C2)C1	2056666002	LCACCIWTVZHAMG-QTISTPMNSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C)CC1)C1CC(CC)C1	2060924396	DVCPWCYZFIKZRR-LYSZQXJVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)C2CCC(C)(C)CC2)CC1	2061098535	JOSCWDIJQZPDJI-CJNGLKHVSA-N	249.442	4.667	0	10	BJAE	
C=C=CCCC1(CNCC)CCC(C(C)C)CC1	2061563742	RUNCYHYMYGGRBN-UHFFFAOYSA-N	249.442	4.550	0	10	BJAE	
CC(C)C1CCC(N)(CC[C@]23CCC[C@H]2C3)CC1	2061614083	CIVDPVXDFQFRQR-YZUHTNEWSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1=CCCCC1)CC1CC(=C2CCC2)C1	2061701323	JBZOVEGCEZIQFC-UHFFFAOYSA-N	244.378	4.727	0	10	BJAE	
CCC1(NC[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063470924	HDQBFXOPDMJJRL-PHZGNYQRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNC12CCCC1CCC2	2063908676	JKHZTIZMKUPPDT-NJINODPHSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)NCC=Cc1ccccc1	2065999198	GIUDZVOFUYYSKY-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)C2(C)CCCC2)cc1	2067507400	BGOULBULFIFDMS-GJZGRUSLSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068769844	OITIGYKUVFUQQK-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(CCC)CCC1)C1CC=CC1	2069335935	ULTHXYXZMANPLX-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1[C@H]2CC[C@@H](C2)C1(C)C	2070400898	ZJXYWIMFPSDCIG-VGWMRTNUSA-N	249.442	4.536	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC[C@@H]1C[C@H]2CC[C@H]1C2	2070412251	AQUJQIXNHMFYBF-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CC[C@H]3CCC[C@H]3N2)CCC1	2071949119	IEYYHTRKKOUDQN-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1	2072869374	PTECORFHPBQWCF-QXKUPLGCSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCCCN1[C@@H]1CCC12CCCCC2	2075009890	CVLFCSPZLPELMG-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
CC(C)CCCCCN1CCCc2ccccc21	2075145524	IJYWRJQGNSOHNE-UHFFFAOYSA-N	245.410	4.656	0	10	BJAE	
C1=CC[C@H](CN2CCCCC23CCCCC3)CC1	2075168723	UZWVVHMSYFYXPH-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CCC[C@H](CC)N(C)Cc1ccccc1C(C)C	2075210659	SSEZWGIYJQVQAJ-INIZCTEOSA-N	247.426	4.821	0	10	BJAE	
CCC1CCC(CNC)([C@@H]2C=CCCCC2)CC1	2075365479	OTAJGBRDHNMNQL-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CC(C)CN(C[C@@H]1CC=CCC1)C1CCCCC1	2076585043	HNXSAIQUMANMLU-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1ccc2ccccc2c1	2079458873	QCASSDACPBTISN-GDBMZVCRSA-N	239.362	4.688	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1ccc(CC(C)C)cc1	2079476301	QJRGMBYJUUQDOD-JKSUJKDBSA-N	244.378	4.504	0	10	BJAE	
CC1(CCC(=O)[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079493114	VSWOEWPGTVCHBA-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
Cc1c(C(C)C)nn([C@H](C)C(C)(C)C)c1Cl	2079771634	OJSIFFCPBUJCPN-SNVBAGLBSA-N	242.794	4.575	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H]1CCC[C@H](C)CC1	2080261801	VUKOIGNVZUZPSP-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)C1=C[C@H]2CC[C@H]1C2	2081678489	YGVXSHRGVASMIO-JLJPHGGASA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](N)(CC)CC1CC2(C1)CC1(CCC1)C2	2083617493	NFGKGWVDGFUVMA-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@](N)(CCCCCCC2CC2)C1	2213577024	XCPXSSQUIAKWFW-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CO[C@@H](C)c1ccc(CCC(C)=C(C)C)cc1	2214076962	PSRXLFRMHBRCFE-AWEZNQCLSA-N	232.367	4.683	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CCCCC1CC1	2214570822	UYDDGFORYQTBJY-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)c2ccc(Cl)cc2)CC1	2215822838	BTEPNYXNQHIVDI-HNNXBMFYSA-N	248.753	4.659	0	10	BJAE	
CC[C@H](C[C@@H](N)CCCCC(F)F)C(C)(C)C	2216426867	DKHJQPYADQIVLO-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CCCCCCCC2CC2)C1	2216896514	IUQLMYSJWBTVNB-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)C[C@@H](C)C(C)C	2217124685	JNYXUGHYKFRDCZ-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NCC1(CCCCCC(C)C)CC1	2217138693	FSCKSMAJCCANBY-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C(C)C)CCC=CCCC1	2217155759	FMXKDEYAAZFVRD-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218333473	PERYHTYDYOBHLN-WMHQRMGPSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@@]1(CCCCC2CC2)CCCC12CC2	2220038780	HIAAWMOLDVWOSQ-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1CC)[C@@]1(C)C=CCCC1	2220878122	QIHTVNWTULVOGC-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@H](NC2CCC(C(C)(C)C)CC2)CC1	2221660990	KWWJDQDRVKITNP-HWOWSKLDSA-N	249.442	4.680	0	10	BJAE	
CC=CCCC[C@@H](N)c1ccc(C2CCC2)cc1	2223703839	SIYQEEOMHKVVSG-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CCCN[C@@H](c1cccc2ccoc12)[C@H](C)CC	2224181222	OUUHPTGWHNYTSQ-IUODEOHRSA-N	245.366	4.520	0	10	BJAE	
CCCC(N)(CCC)CCCC[C@@H]1C[C@@H]1C	2243047826	IAXSCVYSEGGBQN-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@@H](CC)CCC	2244801779	MRWRYJKJMHFCTF-ILXRZTDVSA-N	227.436	4.747	0	10	BJAE	
CCSCC(=O)CC[C@H](C)CCCC(C)C	2244838630	VSBKRXXLSROTEI-CYBMUJFWSA-N	244.444	4.551	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC(C)(C)CO	2244846257	AKQBFIFHUJDEAR-AWEZNQCLSA-N	228.420	4.638	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CC[C@H]2CCC[C@H](C)C2)C1	2246726309	JNWWYZDGLCXCFK-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
O=C(CCC1CC2(CCCC2)C1)c1cccs1	2246788905	FROXVXGSPSVVNC-UHFFFAOYSA-N	248.391	4.681	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1CCC12CCC2	2247443791	LCYVWWORVPPJEW-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H]1CCC12CCC2	2247445042	CFBYFHRNVBDIAY-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC1CCC(C)(C(=O)CC2=CCCCC2)CC1	2247554980	JSWZOAXFWBNNJB-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H](C)[C@@H]1CC12CCC2	2248291347	KVCSNBYYXXYARH-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CCCCC1(NCCCCC[C@@H]2C[C@H]2C)CC1	2248880015	PRYHMYQXCLKYQE-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1CCC(C)CC1)NC	2250354669	FRNBGVXKDSDYET-CKUJCDMFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)[C@H](CC)CCC	2250357192	USKRLHQDCYFBHP-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@H]1C=CCCC1)NCC	2250373304	UAYNIEZKIQGRNX-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@]12CCC[C@H]1CC2	2251118651	OJTHPNUNRZCNPT-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CN[C@H](C[C@@H]1CCCCC12CC2)CC1(C)CCC1	2253782807	LGNDRZKMTUQHES-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCCC12CC2)C1CCCC1	2253816101	JMBJGDAGIVIBNM-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCC1)CC[C@H]1CCCCC12CC2	2253825034	RLYQVVWQGIIVDP-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@@H](C)C1)[C@H]1CC[C@@H](N)CC1	2254000055	BBDYLWRAFONTJC-XBVQOTNRSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)CC1CC2(CCC2)C1	2254600318	XKGPMOFYUNUJEA-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC[C@@H]2C[C@@H]2C)c(C)c1	2254610083	NXOWZIRIKOGWBV-LXZKKBNFSA-N	245.410	4.520	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@@H]1CCCC12CC2	2255221300	ABLKFFZGPJJNBH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@@H]1CCCC12CC2	2255234510	KIXOYZPASJRBBZ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H]2CC=CCC2)cc1	2256238952	RQHGVCHCNFDSDH-HNNXBMFYSA-N	242.362	4.568	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(C2(C)CC2)cc1	2259471270	KXSZHKUKXXRJRG-CQSZACIVSA-N	245.410	4.976	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CC2CC3(CC(C)C3)C2)C1	2259554743	RYCWRYMFWAQHCI-QIBWPRNXSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@@]12CCCC[C@H]1CC2	2260484943	AUIFYQXVNSJEIV-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@]23CCC[C@H]2CC3)CC1	2260537759	KYMVZQLAOXIIEW-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](C[C@@]23CCCC[C@H]2CC3)N1	2260626602	WXJWZTRRHIOVJG-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@]23CCC[C@H]2CC3)C1	2260650189	BQYGWSVDRPHNQR-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@](C)(N)c1cccc(C2CCCC2)c1	2260665977	AALGWWQIFGRVPJ-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](NC2CC3(CCC3)C2)C1	2261397644	KGLKDQXBLCPXNP-AWEZNQCLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCC[C@@H]1C[C@@H]1C)NCC	2298645912	CLWZLJVPZAMXLE-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1O	2300675426	FCHBJVVLOSUALX-OAGGEKHMSA-N	240.431	4.636	0	10	BJAE	
CCN(CC=C(C)CCCC(C)C)CC(C)C	2300886259	SVUGGCSNAWJLIL-UHFFFAOYSA-N	239.447	4.737	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)n1ccc2cccc(F)c21	2301839243	XYDNGFQDSRZTDE-NWDGAFQWSA-N	233.330	4.634	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@]1(N)CCCC(C)(C)CC1	2301844055	NNUKPKQJIBYJQL-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CCC1=CCCCC1	2301923753	NBNNUTDAHYFXOX-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@](O)(CC)CCCC1=CCCCC1	2302361978	UBBYBHJBRGMDTB-MRXNPFEDSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](O)CC1(C)CCCCC1	2302618759	AXPCCADXNOIYMK-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@@H](C)CC	2303578080	WQGXGRIECWWHQQ-VBNZEHGJSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@@H](O)CC[C@@H]2CCC(C)(C)C2)CC1	2304357618	ARSKGOSSPCPHEV-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(-c2nc([C@H]3C[C@H]3C)cs2)cc1C	2307682712	GVZWJYMINJNJDX-YPMHNXCESA-N	243.375	4.550	0	10	BJAE	
CCC[C@H](CC)CN(C)C1CCCCCCC1	2307748847	DRAKZSJLBIIOIB-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCCNC[C@@H]1CCC[C@@H]1C[C@H](CC)CCC	2307826493	MXTLMGPOCBQCCU-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@H]1CCC[C@@H]1C[C@@H](CC)CCC	2307826495	MXTLMGPOCBQCCU-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(N)CCC2(CCCC2)C1	2307828216	GZAFVJVCJVEEQB-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)[C@]12CCCC[C@H]1C2	2307834595	KGXXFKQQEIMBMZ-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC)CC=C(C)CC1	2307839845	ADWYLANLXPFVOL-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)[C@H]1CCC[C@@H](C)C1	2307893725	JINFZVBGLWWAHP-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)[C@@]23CCCC[C@@H]2C3)CC1	2311129975	AMMCBIRWRPHIJB-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@](N)(C[C@@H]2C[C@H]2C2CCCCC2)C1	2311570115	CPWXRYZSXVDPLM-HJWJTTGWSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312871052	SFLAVUBTWUWBFV-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@]12CCC[C@@H]1CC2	2313293868	BQDZVFLJNZFWGY-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)C[C@@]12CCC[C@@H]1CC2	2313346217	NTBGVXUGMMUUPT-FSDCSDTHSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@@H]1C[C@H]1C1CCCCC1	2316511442	SPBHJJYCQPQFIA-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
N[C@@H]1CCCC[C@@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316878261	MJUVYCXSOIWVDU-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(CC2CCCCCC2)CCC[C@@H](C2CC2)C1	2316880959	MBDJFMZYLVOKEJ-IAGOWNOFSA-N	249.442	4.645	0	10	BJAE	
O=C(CCCC1CC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2317011453	YDWIVOWNWFHJKI-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1C[C@H]2C=C[C@H]1CCC2)NC	2317153979	DBWLXJXXOSCNKH-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@@H](C)[C@H](C)C(C)C)cc1	2317821575	WIVYEPPORIQOQB-KEYYUXOJSA-N	247.426	4.567	0	10	BJAE	
CCC1(CNCCCC2=CCCCC2)CCCC1	2318572564	GPKCOKSFCKPCSH-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CC(C)(C)C(=O)[C@@H](c1ccccc1)C1CCCC1	2319602120	DXVDRFDSWBAJBL-HNNXBMFYSA-N	244.378	4.576	0	10	BJAE	
CC1=C(C)C[C@H](CC2(CN)CCC(C)CC2)CC1	2320328869	GKEIVVYLXQUWLC-BLDCVEFLSA-N	249.442	4.668	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)c1cccc(C(C)C)c1	2320568342	ZJIUWBOCQJVVLO-DZGCQCFKSA-N	244.378	4.819	0	10	BJAE	
CCCCCC1CC(N)([C@@H](CC2CC2)C2CC2)C1	2320778594	HCNBZSWFGUELJO-WIHSUSGWSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CC(=C2CCC(C(C)(C)C)CC2)CN1	2321264571	GVPMDTZMIDHMON-LYKKTTPLSA-N	249.442	4.537	0	10	BJAE	
CC1CC([C@@H](C)Nc2cccc(C(C)C)c2F)C1	2327802859	SUIYQUMOGZZFLD-OTTFEQOBSA-N	249.373	4.796	0	10	BJAE	
CC(C)C[C@H](O)c1ccc(C2CCCCC2)cc1	36171583	UNFQZQQSPNMFCX-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1ccc2sccc2c1	36975843	FISDKIDPEHQHKU-FZMZJTMJSA-N	245.391	4.892	0	10	BJAE	
CCC[C@@H](N[C@H](C)[C@@H](C)CC)c1ccccc1	37062381	JQYGMMBIJJNTSC-SQWLQELKSA-N	233.399	4.552	0	10	BJAE	
CC(C)C[C@H](C)N[C@H](CC(C)C)c1ccccc1	37118110	KWJNPLZTWKLZJJ-DOTOQJQBSA-N	247.426	4.798	0	10	BJAE	
CCCCc1ccc([C@@H](NC)[C@H](C)C(C)C)cc1	70123078	SQLGNEMIQHXFHL-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
Cc1ccc(NC2C[C@@H](C)C[C@@H](C)C2)c(C)c1	84461841	KSOLHRANZLPUAS-NNQSOWQGSA-N	231.383	4.540	0	10	BJAE	
CC[C@H](C)C[C@@]1(N)CCC[C@H](C(C)(C)C)CC1	86955944	DJGHGJOZOQYSMD-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)c2cc(C)c(C)cc2C)C1	88010716	GOGMZYQEIYWUMD-LSDHHAIUSA-N	244.378	4.621	0	10	BJAE	
CCCCCC(C)(C)CNc1ccc(C)c(N)c1	94983616	XAKGAUBIOXUARZ-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(OCC)cc1C	103978495	OECKQDDOBDKKIE-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CCc1cc(-c2ccc(C(C)C)cc2)c(N)s1	105555357	CDHWKBDHGVHEJY-UHFFFAOYSA-N	245.391	4.683	0	10	BJAE	
CCCN[C@H]1CC[C@H](CC)C[C@@H]1CCC(C)C	109663294	VCLPWVJABDFWEA-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NC[C@@H]1CCCC[C@@H]1C	109937685	VXDJJGDSZBLHEK-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1CCCC[C@@H]1CC	128361680	LRMXQALYMJVECD-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)c1cc(C)cc(C)c1	132594344	FTPISUZCPPCZBT-CABCVRRESA-N	233.399	4.533	0	10	BJAE	
CCN[C@H](CC(CC)CC)c1ccc(CC)cc1	148225699	VFKHDEWJDLIZMC-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@@H](CC(C)C)C1CCCCCCC1	159106748	AUBXBGKOEMCGQY-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](c1cccc2ccsc12)C(C)(C)C	163256246	JSCNOERDVXWHDJ-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)c1ccc(C)cc1C	163423576	PFJGLSZKYYUVLO-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
Cc1cccc(C(=O)C[C@H](C)C(C)(C)C)c1C	165225599	BBWGLFBQGCTGCO-LBPRGKRZSA-N	232.367	4.558	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCC[C@H](C2CC2)C1	227175053	KTAXNCWTQNNXGN-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@@H]1CCC[C@@H](CC)C1	227508457	PQDIOOQSVDZWBE-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc([C@H](O)CC2CCCCCC2)c1C	229349263	HKXHHQWXOCBCMP-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@H](C)CC(C)(C)C	229557002	OIJSBAFSKBZJKU-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC1(CN[C@@H]2CCCC[C@H]2C2CCCCC2)CC1	232914737	LCAQITXDLKRMOR-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NCC1(CC)CCCC1)c1ccccc1	233901667	PAAWQDOHDPZFOC-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)cc1	251392090	WSWPPJOZVFRJDP-HPZZRFSDSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)c1cc(C)cc(C)c1	302412012	PYXCXHVCCXAAHO-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
CCc1cc(N[C@@H](C)CCC(C)C)ccc1C	305987316	ISKWNILOGIQCDW-AWEZNQCLSA-N	233.399	4.794	0	10	BJAE	
Clc1sc2c(Cl)cccc2c1Cl	306853246	TYCOCDVHLILECX-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
CCCCCC[C@@H](O)[C@H](CCC)CC(C)C	308037896	WODBXWZKOMWKRC-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1sccc1F	309196152	ALDPDVHKSWUIOD-ZYHUDNBSSA-N	244.375	4.527	0	10	BJAE	
CC(C)c1ccccc1-c1ccc(O)c(Cl)c1	310465833	XFXDHCIQZXQDDV-UHFFFAOYSA-N	246.737	4.836	0	10	BJAE	
CC(C)c1ccccc1NCC1(C)CCCC1	310545443	SDFODGGHHFQATI-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
C[C@H]1CC[C@@H]1Nc1ccccc1-c1ccccc1	310627525	DIMFXJRQIUYXEW-BBRMVZONSA-N	237.346	4.564	0	10	BJAE	
CCC[C@H](Nc1cc(C)cc(F)c1)C1CCCC1	313416744	VMERUTJHMBUOFR-INIZCTEOSA-N	249.373	4.905	0	10	BJAE	
CCC[C@@H](Nc1ccc(F)cc1C)C1CCCC1	313418074	WTEFVROYXAZOMH-MRXNPFEDSA-N	249.373	4.905	0	10	BJAE	
CCCNC[C@](C)(CC)[C@@H]1CCC[C@H](CC)C1	317797653	WBFCDENCDWLVKL-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC)CC/C=C\c1ccccc1	324274679	LULJLZXAKSMMPR-KMGMULKOSA-N	245.410	4.648	0	10	BJAE	
Clc1ccccc1N[C@H]1CCCC12CCCC2	328182676	NRDUMJRBVMJSEM-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
CC(C)C[C@H]1CCC[C@H](NCC2=CCCCC2)C1	379585680	ZCKIJNNEGRJODY-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(C)CCCCCC1=C[C@H](N)CC(C)(C)C1	383122148	BSKLPTFOPKTOOK-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C(C(C)C)C(C)C	383552142	XJUCDUKZSLDANC-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CC[C@@H](CN)[C@H](CCC2=CCCCC2)C1	384913755	DWTRUBHDHFBJHC-OIISXLGYSA-N	249.442	4.668	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CCCCCC(C)C	394861285	MCCDTCDVIOXHIB-INIZCTEOSA-N	247.426	4.910	0	10	BJAE	
CCCN[C@H](CCC1CC1)CC1(C)CCCC1	395477322	AUBKYCFICJGTDU-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CSc1csc2cc(F)c(C(F)F)cc12	396245594	OIWPBIIVWDKDSX-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H](C)C1CCC1	398901900	IDAOISXAXXJSFE-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1cscc1C	401924786	YQSSUYFOZFDYRU-CHWSQXEVSA-N	237.412	4.685	0	10	BJAE	
CCc1ccc(CC)c(NC[C@@H](C)C(C)(C)C)c1	689620729	OWPVDOMFYAOWPT-CYBMUJFWSA-N	247.426	4.906	0	10	BJAE	
CC[C@@H](Nc1cccc(C2CCC2)c1)C(C)C	690113271	JKDNZFRESUNFKZ-MRXNPFEDSA-N	231.383	4.801	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H](C)CC(C)C	690188484	FVBFGFXHPNSAGY-AWEZNQCLSA-N	247.426	4.966	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCCC[C@H]2C)c1F	691079892	MWIFFXAQUPJXQP-DGCLKSJQSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@](CC)(CN)CC(C)(C)CC(F)F	694061967	AVFJEBZFTQBPKI-AWEZNQCLSA-N	249.389	4.603	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1nccc2ccsc12	695155340	IOBMLYCPQDLEIF-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1NC1CCC2(CC1)CC2	695687468	DEMNBUXHMTZCLZ-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCCC3(CC3)C2)CC1	695716674	MVXGKCCWIHCUMX-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
C1CCCC(N[C@H]2CCCC[C@H]2C2CC2)CCC1	696113664	WGNKEIBKFGRGNY-IRXDYDNUSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)CC(C)(C)CC	696250855	WPJSLTAIDDWNKQ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CCC(C)(C)CC	696568799	UZDFYEGAYMSGPD-KBPBESRZSA-N	228.420	4.780	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCC[C@@H](CC(C)C)C1	701047319	FPAQWSGMRLSCLQ-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2CCCC23CC3)CC1	706301108	LNMDUZHOYIGDLH-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](C1CCCCCC1)[C@H](C)CC(C)(C)C	708298615	YWCDHVRRGVYBMH-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccc(Cl)cc1C	708394609	LAGOANPJUTZLPE-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1C[C@@H]2CCCC[C@H]21	712389082	NAEBNPXEDKMIOK-YWPYICTPSA-N	249.785	4.639	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CN[C@H](C)CC2CCCC2)C1	712532697	DJBQVWJEKWESRK-YSVLISHTSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@H](CC(C)(C)CC)c1cccc(C)c1	713269099	RPCPUCMHDXVWAU-INIZCTEOSA-N	247.426	4.514	0	10	BJAE	
C/C=C/C[C@H](C)c1cc(CC)ccc1CC	714556846	DDZVOPFAKHNXBT-LJLILKBBSA-N	216.368	4.881	0	10	BJAE	
CCCCCC[C@@]1(N)CCCCCC1(C)C	719188186	AISVMEDBUNXHLF-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CC(C)=CCCC[C@@H](C)COCc1ccccc1	719592926	QQDGAFOJAQHGAT-MRXNPFEDSA-N	246.394	4.976	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCSC2CCCC2)C1	1307252565	GVCHDNCJDGURJW-OLZOCXBDSA-N	226.429	4.879	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)c1cccs1	1905433513	HBHGHNQXLJTYET-CHWSQXEVSA-N	239.428	4.615	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(O)CCCCCC1(C)C	1910705980	IMABALFQNSTLMO-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H]1CC[C@@H](CC)C1	1911962316	GPMYPHIXXRTZAZ-IKGGRYGDSA-N	249.442	4.703	0	10	BJAE	
CC(C)C(C)(C)CC1(N)CC2(CCCCC2)C1	1912707088	BOCRNXKXHDECPR-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2CCC3(CCCC3)C2)cs1	1916402176	MNXAXEXHMFREHA-GFCCVEGCSA-N	235.396	4.581	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@](N)(CC(C)C)c1ccccc1	1920475766	CXVYIPAQGHLMKK-ZMSDIMECSA-N	247.426	4.569	0	10	BJAE	
CCCC1CC([C@@H](C[C@@H]2C=CCCC2)NCC)C1	1921288246	UDMDDSRJZYAMCO-RDHHWEPZSA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H]1C=CCCCC1	1925899945	ARGUUWSILAUHGG-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
FC1(F)CCC[C@@H](CC[C@H]2C=CCC2)C1	1932597080	ZFPSDRIHVFWBNG-RYUDHWBXSA-N	214.299	4.558	0	10	BJAE	
Cc1cscc1C(=O)CC1(C)CCCCC1	1935604093	NGEUPZCVDUOHMU-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CC(C)C(C(C)C)[C@H](C)Nc1ccc(F)cc1	1940248878	OIMZJPHVLKUVMQ-LBPRGKRZSA-N	237.362	4.554	0	10	BJAE	
CC(C)C(C(C)C)[C@H](N)CC1(C)CCCCC1	1940407770	JLJGLSDFZYVMOE-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@H](C)CC(O)(CC2(C)CCCCC2)C1	1940410235	QYRIKZBVWWXHGP-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CCC[C@H]1CC1(C)C)NCC	1940877015	OGJRYHPGJMPUTF-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](O)CCCC1CCC1	1941246919	YRRCSQUILCKDNW-HOTGVXAUSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H](CC)C(C)C	1941267866	XXRTUWYVCMFWAS-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
Cc1scc([C@H](N)CC2CCC=CCC2)c1C	1941793221	HXUUZRVLUJJVET-OAHLLOKOSA-N	249.423	4.501	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@H]1CCC[C@H]1C)C(C)(C)C	1944834803	ZFNNHBPOMLXHOA-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)[C@H]1CCC[C@@H](CC)C1	1947469129	PVVLDGUTHXNOES-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2C=CCCC2)ccc1Cl	1947553555	ZGPPGZCUJSIMCV-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
CCCCC1CCC(N)([C@H]2CC[C@H](C)C2)CC1	1949550428	CYAHAEYIWNWVPB-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H](N)CC2CCCC2)C1	1949863018	XSIAJRSKZHBDRA-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H](N)CC2CCCC2)C1	1949863020	XSIAJRSKZHBDRA-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CNC[C@]1(CCC(C)C)CCCC(C)(C)CC1	1950914608	RHKBWPBAJSRAGK-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@H](NC)[C@H]1CCCC(C)(C)CC1	1950916274	AAYGXCMYJLTHQB-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@H]1CCC[C@H](C)CC1	1950930760	REFDAPVMQWGFMR-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CC=C[C@@H](C)Cc1ccc(OC)c(C(C)C)c1	1951308145	AMCHIYIEUJLVQR-CYBMUJFWSA-N	232.367	4.573	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CCC[C@H]3C[C@@H]32)CC1	1967708425	PISLHDIWXPDHGT-CWRNSKLLSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(OCC2C[C@@H](C)C[C@H](C)C2)c1	1968358838	PWLFFNFTOGHRRY-KBPBESRZSA-N	246.394	4.700	0	10	BJAE	
Cc1cccc(F)c1NCC[C@@H]1CCC[C@H](C)C1	1969466833	DPDYSKMNGHCCLG-JSGCOSHPSA-N	249.373	4.762	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@@H]2CCCC3(CC3)C2)CC1	1969973777	NJHOOPYWRGWBNM-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCC3(CCCC3)C2)C1	1973447538	SPYVAJKOEGJUTJ-HWOWSKLDSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CCC1CCC1	1976930053	ZNHGEEUFUFJECX-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC(C)CC1(c2nc(C(C)(C)C)cs2)CC1	1988523539	NXBADBIUKMVHRL-UHFFFAOYSA-N	237.412	4.518	0	10	BJAE	
CCCC1(C[C@@](O)(CC)C[C@H](C)CC)CC1	1990615095	VDTRSVJKEABBTL-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC(CC)CC	1995254042	NGVWBQNVHSWOHM-DZGCQCFKSA-N	228.420	4.780	0	10	BJAE	
CC[C@H](C)Cc1csc([C@H]2CCC[C@H]2C)n1	1995465764	NXCACPGXOQMLQO-LOWVWBTDSA-N	237.412	4.635	0	10	BJAE	
CCC(F)(F)CC[C@@](C)(O)C1(C)CCCCC1	1995985058	GCIMXISXNUHAKM-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC[C@@](N)(CCCC1CCC1)C1CCCCC1	1996590447	VZQXFBCILDGBFD-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)C1CCC(C)(C)CC1	1996594001	IZMAYKZBYWIYEY-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CCCCCC(C)C)CCC1CCC1	1998031787	HCUGCOBSLBZOLV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCN[C@H](C)CC1=CCCCC1	1998377404	LPBMVPOPYSHNJJ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC[C@H](C)C(C)(C)C	1998381430	WLCMWMBVCCCCIC-UONOGXRCSA-N	237.431	4.537	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CC2CCCCC2)C1	2000190037	HMYQHKJIPXPVFX-SWLSCSKDSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H]([C@@H]1CC1(C)C)C(CC)(CC)CC	2000388881	YDWFYAARQUAPRT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1[C@H]2CCCCC[C@H]21	2002202021	IHFHLTXTNVYAJZ-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](O)CCC[C@]1(C)CCCCC1(F)F	2002577456	UPQLJZGDMGMBJH-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCCC1CCC([C@](C)(N)C(CC)CC)CC1	2002926307	ZZTCBZQHXDLJPP-AVVWSFFYSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C1CCC(C)(C)CC1)N(C)CC(C)(C)C	2002969018	VAETUSWITRKBFA-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)[C@@H]1CCCC(C)(C)C1	2002981493	BZOGRPJXXVJMPT-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CCCCCC1CCC([C@@H](N)C2CCC2)CC1	2003067964	ZGVZMXKYIYMGJA-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@@H]1CCCC[C@H]1CC	2004726118	YKHOAFVEWKQEBM-FVQBIDKESA-N	239.447	4.747	0	10	BJAE	
CCC1CCC([C@@H]2CC(=O)C[C@H](CC)C2)CC1	2006674880	WEYYHMMABJCWRJ-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(N)CC(CC)(CC)C2)C1	2009304007	KRHXQEZRHXEAML-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCCNc1ccccc1C(C)(C)C	2009591592	WHYNJTMSIPLCNF-AATRIKPKSA-N	231.383	4.752	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CC[C@@H](CC)C2)C1	2009790986	FVUFDYPAWSNOPF-YHNBSYBMSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC=C([C@H](CCCC(C)C)NC)CC1	2010770463	YTMSRROSYQFSTP-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](O)CC1C[C@@H]2CCC[C@H]2C1	2011984382	XWKJNXNGMPYDJM-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@H](O)CCCC12CCC(CC1)CC2	2012820147	UCPRYIUQUOEHEY-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCC(C)C)CC(C(C)C)C(C)C	2015396472	FFOWJBHBWXRLHQ-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@]2(N)C[C@H](C)CC[C@@H]2C)CCC1	2015641286	CARBIHXTXMUMPB-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](NC)C2CCCCC2)CCC1	2015642731	UDVUGWOOVMCOKM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CC[C@H]1C1CCC1	2017043457	PPPJHSSPLAVJJC-JSGCOSHPSA-N	249.785	4.639	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@H](O)C2CCCC2)CC1	2017713674	BBASRMSSJXRYJF-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@H]2CCCC[C@H](O)C2)CC1	2017714096	DKAWWOZUAMXGEU-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@H](CC(C)C)NC)CC1	2017728433	LSSNWTIVBMCAED-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1CC[C@H](CC)CC1	2017739573	UKSUKWQJWQFRJP-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1CC(C(C)C)C1	2018130174	HXFGJBGCOVZSKM-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CC1(c2csc(C3(C)CCCCCC3)n2)CC1	2018310955	WWOLUEXVDZTKDQ-UHFFFAOYSA-N	249.423	4.807	0	10	BJAE	
CCCC1(C[C@@](C)(O)C2CCC(C)CC2)CC1	2018964606	JDRWVZJAFKRZMR-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CC=C(CC)[C@H]1CCCC(C)(C)[C@H]1NCCC	2020978736	WOCYXGDHXLDXQH-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCC1=CCCCC1	2023337629	YTTTZNZVLNYMCN-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
C[C@H](CCCCCC1CC1)[C@H]1CC[C@@H](N)CC1	2023552626	XHEQJNLJODRTLI-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(CCNC(C)(C)C)CC(C)(C)C1	2024091183	GAYGJRBLUSFLGR-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H]1[C@H](C)CCC[C@H]1NCCC	2024517424	RMAMAEYMGCHWIE-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCC[C@H]1C[C@H]1C	2026170490	QADKLPBXIALFRR-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
c1sc([C@@H]2CCC[C@@H]3C[C@H]32)nc1C1CCCC1	2026607841	WCKWAHLKWOFWQY-JHJVBQTASA-N	247.407	4.704	0	10	BJAE	
CCc1cccc(CC)c1N[C@H]1CCCC[C@H]1C	2027005554	SNIDPHPPJZTWSS-CJNGLKHVSA-N	245.410	4.802	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CCCC1(C)CC1	2027822258	PNRKNBYDZGOFFO-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)c1ccc(C)c(C)c1	2027823307	WBCDKXMXEBRFPP-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1ccccc1C1CC1	2028556310	BSHFZVAYKJOYAM-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CC(C)Cc1cccc(C(=O)C[C@H](C)C2CC2)c1	2032228252	GHGMOMPKDYVMPB-ZDUSSCGKSA-N	244.378	4.504	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)c1ccc(C(C)(C)C)cc1	2032345348	BYKQUEOYGCNBBP-OAHLLOKOSA-N	247.426	4.666	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC[C@@H]1C)c1ccccc1	2032512394	AODMDPQVSAWZBI-ZMSDIMECSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@H]2CC23CCCC3)C1	2036098870	BCAIPXZFQXJQBJ-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C1CC(C)(C)C1	2036177038	FLKFJTZWFVDBTG-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1cccc(C2CC2)c1	2036352257	MAFDQVXNKSWWFI-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(C2=CCCCCC2)CC1	2037094850	UWKHEBFUSXRAMU-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C2CC3(CC3)C2)CC1	2037306086	YBINLXNJENTDFL-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CCC2=CCCCC2)CC1	2039372336	CDVNRBNBMRGNAR-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C1CC2(C1)CC1(CCC1)C2	2039462633	VLOCYXHLNUWGMK-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](NCC)C1CC2(C1)CC1(CCC1)C2	2039464833	YCENWIQTAFMHHK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@H](C)NCC[C@H]2CC=CCC2)CC1	2040637848	GBUSNWNNKCKNHP-YZUHTNEWSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CCC(C)(C)CC1)C1(C)CC=CC1	2042020267	VYXBWSQPIZGTKU-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC1(C)C)[C@]1(C)CC=CCC1	2042022000	NGNKIWONGDWQCZ-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NCC1(C)CC=CC1)C1CCC(C)(C)CC1	2042080623	LWDYKHRJONGUKA-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@@H]2CCCC23CC3)C1	2043004812	OIFCBZORQIIYRO-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H]1N[C@@H]1CCCC2(CCCCC2)C1	2043670858	WLLQKIHYVZABQD-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)C[C@H]1CCC=CCCC1	2045316088	AMZYFZXUVQIDKX-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)C1(C)CCCC1	2045320940	QVENGMHKVDDESY-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C(=O)[C@@H]1CCCC(C)(C)C1)c1ccccc1	2045449076	HSAHCIUKQYXFMH-UKRRQHHQSA-N	244.378	4.576	0	10	BJAE	
Cc1ccc(F)c(C(=O)[C@H]2CCCC(C)(C)C2)c1	2045450455	OZNHAQSBXRDAFB-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCCC(C)(C)C2)cc1C	2045453399	ZEFIHEBZDHXNNR-HNNXBMFYSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC12CCCC2)C1CCCC1	2047020437	POLFOKIJSPGLGZ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H]2CC23CCCCC3)c1	2047054840	HIQMKRMYABGZSX-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
CC(C)C1CC(C(=O)C[C@H]2CCCC3(CC3)C2)C1	2049937937	LNNKTCMINZLTGJ-WLYUNCDWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@@]1(C)C=CCC1	2050005967	JVXQXFCUPUHMET-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCC1CCC(C[C@@H](N)c2ccc(C)cc2)CC1	2050426791	QHFYQDCJGZJQMW-VMBOVVBDSA-N	245.410	4.601	0	10	BJAE	
CC(C)=C(C)CCN1CCCC[C@@H]1C1CCCC1	2051672115	QXYDSFLMLDKDLP-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CCCC2)C1)C1(C)CCC1	2052357422	XORYAEFQDVARDL-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)[C@@H]2CCCCC23CCC3)C1	2053411516	KKRVCBSECLQQDE-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC=C[C@@](O)(C[C@@H]2CCC=CCCC2)C1	2055085566	KPGCPUJQEBWORM-ZACQAIPSSA-N	248.410	4.620	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCCC[C@H]2C(C)(C)C)CCC1	2055551036	WAUZUCQXWZSYQS-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
CN[C@H](CC1=CCCCC1)CC1CC(C(C)C)C1	2056643773	WMGCPGNTHIBFFR-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C(=O)CC1CC(C2CCC2)C1)C1CCCC1	2056670028	RZXUEVQIGSIVAP-VEAWUBTESA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@@H](C)C1CCCC1	2056874741	ZUXXLDAEGOCTIJ-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@H]1CCC[C@H]1C(C)C	2056884240	SRIXNMLWQVSUIT-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCCC(=O)c1ccccc1CC(C)C	2059204975	BYMJMDNEOHQDGQ-SNAWJCMRSA-N	244.378	4.814	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)C1(CC)CCC1	2060928546	FUOIYGFXILULGF-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@H](N)C1=CCC(C)(C)CC1	2061151047	PKLWYQSJZHTOEH-HRCADAONSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC[C@@]23CCC[C@H]2C3)C1	2061603023	QWUYWRGUQGMCGS-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CN[C@H]1C[C@@H](CCC(C)=C(C)C)CC2(CCC2)C1	2063627015	DJMASNXNTKMKIH-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(NCC23CCC(CC2)CC3)cc1C	2065301311	VNVUTCFYMBQQGW-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC12CCC(CC1)C2	2065340432	WEELDGZASHEGLA-MYBQVCMBSA-N	249.442	4.645	0	10	BJAE	
CCc1cc(N[C@@H](C)C2(C)CCCC2)ccc1C	2067510467	WIEMYPIUWCUDLH-AWEZNQCLSA-N	245.410	4.938	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@@H]2CC23CCC3)CC1	2069172675	SRAWABKWXARBNH-GDBMZVCRSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C2(CC3CCC3)CC2)C[C@H]1C	2069582004	XCMCMRRBHOMIGG-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(C[C@@H](N)[C@@H]2CCCC23CCC3)CCC1	2071941631	VUDKYPKEDIJWHW-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(C(C)C)CCC1)[C@H]1CC=CCC1	2071942542	FQUVTXQURQIOGT-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(N)[C@H]3CCC[C@H]2CC3)CC1	2072795866	JDIZWAVAYMAMLD-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2C[C@@]12CCCC[C@H]1C2	2074004102	QJYGKEKGBRGKKA-JKIFEVAISA-N	241.378	4.556	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CCc1ccccc1	2074794949	PRAYPGLCAFPTIZ-QGZVFWFLSA-N	247.426	4.520	0	10	BJAE	
CC1(c2ccc(N[C@@H]3C=CCCCC3)cc2)CC1	2075363131	PJGMDGSDORIGEV-OAHLLOKOSA-N	241.378	4.649	0	10	BJAE	
CCCNCC(=C[C@H]1C[C@H]1CC)C1CCCCC1	2079265982	XENWJKUNHZQJLD-GDBMZVCRSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@H]2C[C@@H]2C(C)C)cc1	2079551741	ACDVGUYNRMLYMU-BRWVUGGUSA-N	246.394	4.526	0	10	BJAE	
CCc1ccc(NC[C@H]2C[C@@H]2C(C)(C)C)cc1C	2079619828	NIHJZXMOJAOOFA-ZBFHGGJFSA-N	245.410	4.652	0	10	BJAE	
CCC[C@H](C)[C@@H](N)CC1CC2(C1)CC1(CCC1)C2	2083617896	SHKTVFSRGHHSLY-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)C=Cc1ccccc1	2086060980	RRZTVZHTTUFTCN-NVXWUHKLSA-N	246.394	4.667	0	10	BJAE	
CCc1cscc1C/C=C/c1ccccc1	2210661780	FJUAHHLMNKHZPG-RMKNXTFCSA-N	228.360	4.566	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)c2cc(C)sc2C)CC1	2215819492	WEAXFRPZOBGPPY-CABCVRRESA-N	249.423	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2(C)CCCC2)CC1	2215822785	BHIDWKVQGHGDCW-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
O[C@@H](CCCCC(F)F)CCC1CCCCC1	2216458649	SRPVXXDOUXHGDG-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCC[C@](C)(O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216743942	GNSNOTFIZVLUBG-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
C(CCCN1CC[C@@H]1CC1CCC1)CCC1CC1	2218733439	VMPXOJACWGPDIC-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@]1(C)C=CCCC1	2220027774	LKISCBMYCXRXFX-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC=C(C[C@H](N)C2CCCCC2)CC1	2220296059	GNJGREXTVVJROY-WBVHZDCISA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1C[C@@H]1CCOc1cccc2ccccc12	2220964046	VBGFVHPSBKYPHB-ZFWWWQNUSA-N	240.346	4.655	0	10	BJAE	
Cc1cccc(C)c1C(=O)C1CCC(C)(C)CC1	2221925887	WHBZWOJENPEMFP-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)[C@@H](CC(C)C)C(C)C	2222013785	LJKQANMOTMSAMX-DOTOQJQBSA-N	248.410	4.655	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@H](C(C)(C)C)C1)C1CC=CC1	2222265962	LTEZQDRKLDQZRK-BPUTZDHNSA-N	249.442	4.536	0	10	BJAE	
C1CCC(CC[C@H](CNC2CCC2)C2CCC2)C1	2223545670	IDVRQJFSEHWVNC-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)c1ccc(C2CCC2)cc1	2223699280	WHNCXFUIGSSETG-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
C[C@@H](C[C@@H](O)c1ccc2occc2c1)C(C)(C)C	2224132998	RNBDNXCQWGLVRU-SMDDNHRTSA-N	246.350	4.539	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cc(C)cc(Cl)c1	2244782559	IDFYJRMQJQTFPF-LLVKDONJSA-N	238.758	4.657	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC1(C)CC(C)C1	2246540504	RYXALNDALSTLOR-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(O)CC[C@H]1CCCCC12CC2	2246638015	MFXVRHXYWUBKFG-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)CCCC2CC2)C1	2246660190	OACWCXSXUBJZGQ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](O)(C[C@@H]1CCC1(C)C)C1CCCCC1	2247344466	BNONEBXQUQOKJC-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
N[C@@H](c1csc(C2CC2)c1)C1CCCCCC1	2248061271	NYBILVSBQNWBSI-OAHLLOKOSA-N	249.423	4.596	0	10	BJAE	
CC(C)C(C)(C)C(=O)CCCCC[C@H]1C[C@@H]1C	2248860146	ZKEIMXGEPWRSER-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(NCCCCC[C@H]2C[C@@H]2C)cc1	2248866770	RMYAZBLRQWXFFI-GJZGRUSLSA-N	231.383	4.623	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H](C)c1ccccc1	2250353494	VLWCXZJHARIZQN-KBPBESRZSA-N	232.367	4.576	0	10	BJAE	
CCC[C@@H](CC)CNCC1(C)CCC(C)CC1	2250381685	AFGXGHYKVXYYHW-HWOWSKLDSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@H]1CCCNC1	2250476185	VPCQVLUXDVDGBS-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(F)CCCN	2250480004	AQXCKGOFJPBMOS-LSDHHAIUSA-N	245.426	4.696	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)[C@@H]1CC[C@@H]1C	2250516324	HOTVKJDTDZXTEC-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
Cc1csc(C)c1C(=O)[C@@]12CCCC[C@H]1CC2	2251108141	SOHZNRRUADOMSA-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@H](N)CC[C@H]2CCCCC23CC3)C1	2253861621	FSBALEGDZHLIQY-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1CCC2(CCCN2)CC1	2254523224	RMOLTKKERPQCPA-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@]1(CC2=CCCCC2)CC[C@H](C)C1	2255098224	ALLFHNJLQHMDJS-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(F)cc1NCCCCC[C@H]1C[C@@H]1C	2257343043	VHISORGMQKNFTH-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
CC1CCC(C(=O)CC2CC3(CC(C)C3)C2)CC1	2259573380	FSYSFCZWXKGASG-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@]12CCC[C@H]1CC2	2260544244	MGOPGTPLZKFYMZ-VYDXJSESSA-N	246.394	4.662	0	10	BJAE	
CCC1([C@H](C[C@]23CCCC[C@H]2CC3)NC)CCC1	2260600000	DXDXMKYATSQCST-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC([C@H](N)C[C@@H]2CC=CCC2)C1	2261191042	OPRAIPDTQWKBJK-PRLABOORSA-N	249.442	4.523	0	10	BJAE	
CCC(CC)CC[C@@H](CN)C1CCCCCC1	2300682339	XYJQBUYMGQNXHR-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
CCC(CC)CCC1CCC2(CCCN2)CC1	2300702259	WOKIFNSNHWURJL-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CCC(=O)C1(C)CCC(C)CC1	2300702646	YTJPDAJQFUFMMY-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](Nc1cc(F)ccc1C(F)F)C(C)C	2300825880	GGVOYAHHKXKJLC-LLVKDONJSA-N	245.288	4.610	0	10	BJAE	
CC1(C)CCC[C@@](O)(CC2CCCCCC2)C1	2301136895	BSRWWGFZVANQMY-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
NC[C@H]1CCCCC[C@@H]1CC1CCCCCC1	2301184494	ASHQGSHFKQZSOG-HZPDHXFCSA-N	237.431	4.502	0	10	BJAE	
CCCC1CCC(N[C@@H](C)[C@@H](C)C(C)C)CC1	2301712149	XTSPOCXITFIXKO-FXQLRMTLSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@@H](C)[C@H](C)C(C)C	2301824559	DVRBRLGGYBOREW-LVQVYYBASA-N	241.463	4.719	0	10	BJAE	
CC(C)N[C@@H](C)[C@@H](C)CCCC1=CCCCC1	2302360402	AMSPMPOZGJODBW-GJZGRUSLSA-N	237.431	4.680	0	10	BJAE	
CC1(C)CC[C@@](O)(CCCC2=CCCCC2)C1	2302360447	ASOWVUIVSPUBGE-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CC[C@@H]1CCC(C)(C)C1)CNC(C)C	2304428926	RMGXUIOBNUUJPY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNCC)CC[C@H](C)C1	2307764398	WQSDOBWXKPDNES-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)[C@@]12CCC[C@@H]1C2	2308102480	BVAVLGARYAPFBD-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313183454	SFLAVUBTWUWBFV-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C(CC2CC2)CC2CC2)CC1	2313605953	JWJDBWBLDPCFFV-BLLLJJGKSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CCC[C@@H]2C[C@H]12	2315880375	CDWBGZYYGYTVHV-PMPSAXMXSA-N	243.394	4.719	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@@]2(C)C[C@@H]12	2315888348	QQTPBSFNANJIPF-UXLLHSPISA-N	243.394	4.719	0	10	BJAE	
N[C@@H]1CCCCC[C@H]1C[C@H]1C[C@H]2CCC[C@H]1CC2	2316992580	BATURBGBKVEQRO-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C[C@H]3C=C[C@H]2CCC3)CCC1	2317201475	PEAHPWCDXCORFK-KFWWJZLASA-N	246.394	4.518	0	10	BJAE	
CN[C@H](CCCCC1CC1)CCC1=CCCCC1	2317904698	QPBHZXABOWIUCC-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCC[C@@H]2C[C@@H]21	2317914280	ALGYCFXNUZZGER-BYCMXARLSA-N	247.357	4.550	0	10	BJAE	
C[C@H]1[C@H](Nc2ccccc2C2CCC2)CC1(C)C	2318252515	QEIXOZHHQKKCGE-BLLLJJGKSA-N	243.394	4.801	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)CC1CC(C)C1	2318593578	WIQZLEKQNGAZIG-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H](C)C2CCC(C)CC2)CC1	2320241393	UEBKCJAVAYHHMB-FPLFOGFYSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@@](CNC(C)(C)C)(C2CCC2)CC1	2320269611	CJYLRVKOTICTQN-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC(C)=C(C)C2)CCC1(C)C	2320328487	PUQTZRMEEAWFJX-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H]1CC[C@@](C)(C[C@H]2CCC(C)=C(C)C2)C1	2320388490	QNWNKAGSIRTPGG-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2320406064	JTKYEJUQOPSZCF-CAOSSQGBSA-N	246.394	4.518	0	10	BJAE	
c1ccc(OCc2cccc(C3CCC3)c2)cc1	2320620210	DWQHUVCLZLQQIC-UHFFFAOYSA-N	238.330	4.533	0	10	BJAE	
CC[C@@H](C(=O)Cc1cccc(C(C)C)c1)C(C)C	2320654179	UJJHCCILXOUHJU-MRXNPFEDSA-N	246.394	4.604	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)[C@@]2(C)C=CCCC2)C1	2321603972	XLVIVJXGLRPLSY-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CCc1ccccc1OCC[C@H]1CCC(C)(C)C1	2321610928	LTBSGPJTRAWLEB-CQSZACIVSA-N	246.394	4.844	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CCCC[C@H]1C	21501368	SLBIYSCSTCQDOH-MFKMUULPSA-N	237.774	4.639	0	10	BJAE	
C[C@H](CCNc1ccccc1)CC(C)(C)C	34597632	MKAJXIDZNJVEMK-CYBMUJFWSA-N	219.372	4.561	0	10	BJAE	
CCCCc1ccc([C@H](NCC)[C@H](C)CC)cc1	35548110	MAFVEYCSUAPNPI-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](c1ccc(C(C)(C)C)cc1)[C@@H](C)CC	35548316	SDKKOTKVNQANPO-BBRMVZONSA-N	247.426	4.681	0	10	BJAE	
Fc1cccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1	37202671	USOYKPJACUMZOM-XJKCOSOUSA-N	247.357	4.597	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)c(Cl)c1)C1(C)CC1	37467798	RTNAPBUYLCNQSJ-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](c2ccccc2)CCC1=O	44469013	CDXYAOODBUXPKX-JKSUJKDBSA-N	244.378	4.720	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1cc(F)ccc1C	70977639	JKDYPCPBKCSMGH-TZMCWYRMSA-N	235.346	4.515	0	10	BJAE	
CC(C)(C)CCNc1ccccc1C(C)(C)C	83360401	NGDBJEWPXRZRMF-UHFFFAOYSA-N	233.399	4.832	0	10	BJAE	
CCN[C@H](CCC1CCC(CC)CC1)C(C)C	85082955	OFBPKTCUIDOCBW-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Oc1cccc(Cl)c1	85150577	CAGVCXJCHZPDCJ-BXUZGUMPSA-N	238.758	4.688	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCC[C@@H](C)CC1	86879183	DEAJOVYEDHJPLB-RISCZKNCSA-N	235.346	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1csc2ccccc12	87179391	OGXNELXJLRCHPK-FZMZJTMJSA-N	248.391	4.761	0	10	BJAE	
CCC[C@@H](C)CC(C)(C)CCNC(C)(C)C	87957546	QMTNRPSWTGAWSO-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)c2ccc(C(C)C)cc2)C1	88011582	FQZKVZZEVNFSQV-XJKSGUPXSA-N	244.378	4.819	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@@H]1C)C1CCCCC1	103990841	AXQSWKSZUNIBQV-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
CCOc1cc(C)ccc1N[C@@H](C)CCC(C)C	109909201	QASCVJMHJIXVBG-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
CC[C@H](C)Nc1cccc(Oc2ccccc2)c1	109925974	LPTWNRYMOIWFOP-ZDUSSCGKSA-N	241.334	4.689	0	10	BJAE	
CCCN[C@H]([C@@H]1CCCC[C@@H]1CC)C(C)(C)C	111746910	GREAVMQNTFIBJA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@H](C)CCC)NC	126008497	WPETXDKQPHOMGA-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](C[C@H](C)CCC)NCC	126016050	NRMCIJRIDRTOCF-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
Clc1ccc2c(c1)CC[C@@H]2Nc1ccsc1	127520406	SUJGRIXFNANOGU-ZDUSSCGKSA-N	249.766	4.501	0	10	BJAE	
CCCCCC[C@H]1CCC[C@H]1CNC(C)(C)C	129803977	IWNKAAADKSCQOS-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CC2CCCCCC2)C1	169070697	IRINJTVBHDCUBA-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCCCc1c(C)[nH]c2ccc(C)cc12	222819996	WDXBYKUUEVMHMN-UHFFFAOYSA-N	215.340	4.517	0	10	BJAE	
Cc1ccc([C@H](C)NCCCC2CCCC2)cc1	225087230	XKHKAEGGIACDPS-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@@H](C)CC1	226506967	BGNMKZWBEAMBKW-PMPSAXMXSA-N	240.431	4.924	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H]2CCCCC2(C)C)c1	226779507	NDSGIDFTRGRAFX-HNNXBMFYSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@@H]([C@@H](CC)c1ccccc1)[C@H](C)CC	228810852	LEMARJSEDHANEM-HYVNUMGLSA-N	247.426	4.595	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)[C@@H](C1CCCC1)CN2	232512006	GQUYVZLAIUTDAS-OAHLLOKOSA-N	243.394	4.683	0	10	BJAE	
C[C@@H](C[C@@H](N)C1=CCCCCCC1)C(C)(C)C	235143765	KPBIMYGNKBDCNX-DZGCQCFKSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	252904362	QCIACDIYOZDHSC-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@H]1CC[C@H](C)C1	300138370	NFZBPJALYDTSEO-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CCCC(C)(C)CC1	302464864	YWKMZFAHUPOSCO-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
Cc1nc(C(C)(C)C)sc1-c1cccc(F)c1	302511242	NDOYEHHSOFHUNC-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CCN[C@@H](c1c(C)cccc1C)[C@@H](C)CC(C)C	302564538	NIZOLPOSLJSDPC-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
Cc1csc2ccc(C(F)F)c(Cl)c12	306894990	LSOGJGJBOBBVAX-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CSc1ccc(C)c2c(Cl)csc12	306958295	VHVKQCRWWQDZSG-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1ccc(Cl)s1	308006343	DERMZYYKLGISPW-BXKDBHETSA-N	246.803	4.507	0	10	BJAE	
C/C(=C\CCNC(C)C)CCCC(C)(C)C	309075889	HQPCICQTZVZMPB-GXDHUFHOSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@@H](C[C@@H](C)C1CCCCC1)NC	310537651	BDOGXQOZRQTGTF-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@H](n2ccc3c(F)cccc32)CC[C@H]1C	310557618	SRIHSIWFNLCGLL-FRRDWIJNSA-N	245.341	4.778	0	10	BJAE	
CCCCCC[C@@]1(CNCC)CCCC[C@H]1C	317280778	PIVHIHGJYAYTDB-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CCNC[C@]1(CCCC(C)C)CC[C@H](CC)C1	317402208	GWSJMGQKCHRALS-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](Nc1ccccc1C(C)C)[C@@H]1C[C@@H]1C	321083621	MEUOJYAMDQJXML-CFVMTHIKSA-N	231.383	4.657	0	10	BJAE	
CC[C@H](Nc1ccc2ccccc2c1)C1CCC1	322484981	VQLRUVWOGZDGJN-KRWDZBQOSA-N	239.362	4.830	0	10	BJAE	
CCc1cc(N[C@H](CC)C2CCC2)ccc1C	322521626	JOQHBNXCCYXPBC-MRXNPFEDSA-N	231.383	4.548	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1	378902557	XRWRMUFDMCZFCB-UHOFOFEASA-N	243.394	4.585	0	10	BJAE	
CCN[C@@H](CC)CCCCCCCC(C)C	383183236	NINKMIBVQYLIOV-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
Cc1ccc(OC2C[C@H](C)C[C@@H](C)C2)cc1C	383484666	TZVIYUIKNHBKRG-VXGBXAGGSA-N	232.367	4.507	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)CC(C)(C)C)c1	384786136	QOUYWNKMABCFMC-ZDUSSCGKSA-N	219.372	4.540	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)CCC1CCCC1	386271282	MFQAVIDGTSBYRC-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NCC1CCCCCCC1	388923778	SFUSNHDMSBYGCE-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1[C@@H](N[C@@H]2CCCC23CCCC3)CCC[C@H]1C	392748931	BNUYRNQYTGWEFO-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CSc1c(F)c(C(F)F)cc2ccsc12	396237346	JBVYDBQODJOMHK-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
Cc1c(C(F)(F)F)sc2cccc(S)c12	396312794	XLEJFLCVLPVPEL-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CSc1cc(C)cc2scc(C(F)F)c12	396413874	YRIUQTDJXRHFEB-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCC[C@H](N[C@H]1C[C@@]1(C)CC)c1ccccc1	397300013	KENAJNOBGUGTFB-YESZJQIVSA-N	245.410	4.696	0	10	BJAE	
C[C@H](C(=O)c1ccc(C(C)(C)C)cc1)C(C)(C)C	399013874	DADYBCMNVGUKGA-GFCCVEGCSA-N	246.394	4.849	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC=CCC1)C1(C)CCCC1	402185955	XUCTYNDPFFFHRA-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CC=CCC2)CC[C@H](C)C1	402260927	RVMDNFKBWBLKID-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC(C)(CC(=O)CCC1=CCCCC1)C1CC1	405806070	LJCWMTANFFGLNB-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](c1nc2c(C)ccc(C)c2[nH]1)C(C)C	587954910	HRWDWNRCDVIGKV-ZDUSSCGKSA-N	244.382	4.719	0	10	BJAE	
CCC1(CN[C@@H](C)CC2CCCCC2)CCC1	689756859	TXDIXSAOEXBSSW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)CC1CCCC1	689831756	MTUHUAYFUPBDTN-ZBFHGGJFSA-N	239.447	4.904	0	10	BJAE	
C(=C\c1ccccc1)\CNc1cccc(C2CC2)c1	690126651	LMSWZPLUDHUDGO-YVMONPNESA-N	249.357	4.689	0	10	BJAE	
CCC[C@@H](C)Nc1ccc(CC)c(Cl)c1	691248496	MFYMKWIYJIKBSV-SNVBAGLBSA-N	225.763	4.503	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@@H](C)C1CCC1	692669839	HVRZPIWJMWJJSE-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@H](C)C1CCC1	692773296	FZGSGXUAZGKFTI-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1CCC12CCCC2	694467351	ADANEZKFZGLNJL-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)CCC(C)(C)C	695101006	UGGXUVIJZQUKJF-STQMWFEESA-N	227.436	4.616	0	10	BJAE	
CCC1CCC(N[C@@H]2CCCC[C@@H]2C2CC2)CC1	696103827	JFPDZLABMCQAKU-OKEQZYBDSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@H](C)c1ccccc1	697771378	TUZJJSUNNAIWOC-WBVHZDCISA-N	245.410	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H]1C[C@H]1C(C)(C)C	700004395	ZTUGDSWMXBLKBX-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccc(C)cc1Cl	701069519	UXCAIBZJAJEFCJ-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)C(C)(CC)CC	701197107	DWZGKKGPOUQNAB-UONOGXRCSA-N	227.436	4.602	0	10	BJAE	
Cc1ccc2ccn(CCCC3CCC3)c2c1	701529967	DSCBNGJVGIOHRY-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CC(C)CCCCNC(C)(C)CC(C)(C)C	703980232	UAPOIWCNTJEBTG-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)C[C@](C)(N)c1ccc2sccc2c1	704823050	JXRFVQJAUCRUKJ-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
C[C@H]1CC([C@@](C)(N)CCC(C)(C)C)C[C@H](C)C1	704855107	OQJANBPCMJCTRH-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@](N)(CC)C(C)(C)C	704930081	BIPCKJORQCYXMS-DZGCQCFKSA-N	227.436	4.747	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CCCC(C)(C)C	704960525	QMUBGKNLPFXRJY-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(N)CCCCC12CCCC2	707758319	VXTZWWAVGJWKDW-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc2cc(C(=O)[C@H](C)CC(C)C)oc12	709234793	LCPQJUUOWSOIGU-GFCCVEGCSA-N	244.334	4.606	0	10	BJAE	
CC[C@H](C)SCC(=O)C[C@@H](C)CC(C)(C)C	709275668	SGRWUJMUMFVYTK-NEPJUHHUSA-N	244.444	4.550	0	10	BJAE	
CCC1CCC(C(=O)C23CCC(CC2)CC3)CC1	710323022	BXRURKWXUKAYDC-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1scc(C)c1Cl	713125436	MOTXLDRLRFRXKU-VIFPVBQESA-N	245.819	4.536	0	10	BJAE	
CCCC[C@H](C)[C@H](CC(C)(C)CC)NCC	713134184	PFPHJHGFACNAGL-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)CC(C)(C)C(C)C	713210804	HXYKURTZSPYFLO-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCNCC(CC)(CC)CC(C)(C)CC	713247228	ZTTHZNSYGOVDPZ-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
C[C@H](N[C@H]1CC(C)(C)CC[C@@H]1C)c1ccccc1	717540931	PCUYZKGRVFRORE-DZKIICNBSA-N	245.410	4.552	0	10	BJAE	
CC(C)=C(C)CC[C@H]1C[C@H](C(C)C)CCC1=O	719176071	HJKAAAKNGJBHTA-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCCCC2(C)C)c(F)c1	721211190	IKEVUKWFGDQFOQ-ZDUSSCGKSA-N	248.341	4.533	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC/C=C\c1ccccc1	721727531	VIUPECOPZIHUCC-OVHOFWQVSA-N	245.410	4.634	0	10	BJAE	
CCCN[C@H]([C@@H](C)[C@H](C)CC)C(C)(CC)CC	721756842	FVSYHUSMRZHKCE-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CCCC(CCC)SCC(=O)C(C)(C)CC	1165583576	ADKWRTSVDXEFLP-UHFFFAOYSA-N	244.444	4.694	0	10	BJAE	
c1ccc(CS[C@H]2CCc3ccccc32)cc1	1188540088	ULOUGKXXKFFZCZ-INIZCTEOSA-N	240.371	4.607	0	10	BJAE	
CC[C@@H](C)[C@H](C)Sc1ccc(C)s1	1613868912	IAGZUSTZNMEQSI-SCZZXKLOSA-N	214.399	4.583	0	10	BJAE	
CC[C@@H](CC1CC1)NCC1(C)CCC2(CC1)CC2	1875731183	CJEUCLAAWNKWBZ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@H]1C[C@@H](CC)CCC1=O	1900712226	HZNSZARKKKVVTA-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CC[C@H]1CC[C@H](C)CCC1=O	1900715037	ZAKCLZTYZVTZMU-GXTWGEPZSA-N	224.388	4.598	0	10	BJAE	
c1sc(C2CCCCC2)nc1CCC1CC1	1901903231	GPFPMMYBIJLCKB-UHFFFAOYSA-N	235.396	4.533	0	10	BJAE	
CCC(F)(F)C(C)(C)COc1ccsc1C	1904933550	QAIOFMWPLITMSJ-UHFFFAOYSA-N	248.338	4.507	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(OC)cc1Cl	1912072859	WSUQXWHTWZFNIX-LLVKDONJSA-N	238.758	4.808	0	10	BJAE	
CC(C)CC1(CNC2CC2)CC2(CCCCC2)C1	1912565230	VPGFGUAQXUBJEQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C)c1cccc(C2C(C)(C)C2(C)C)c1	1917174240	LHHGHZGVCZEKMB-GFCCVEGCSA-N	245.410	4.507	0	10	BJAE	
CC(C)[C@@](O)(CCCC(C)(C)C)c1ccccc1	1919936282	YTIKDZQTOYLZLL-KRWDZBQOSA-N	248.410	4.747	0	10	BJAE	
CCCCCC[C@](C)(N)Cc1c(C)cccc1C	1920186902	PONSJMFZZNGSSK-KRWDZBQOSA-N	247.426	4.534	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC(C)(C)C(C)C	1920192251	YSISVZFNTJXNIQ-ZFWWWQNUSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1CC(C(C)C)C1	1921105362	OJUWKNNVUKWESB-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CNC[C@@]1(CCC(C)=C(C)C)CCCC12CCC2	1921605150	NJTAJLIWKUCOSI-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCCCC[C@@](C)(CN)C1CCCCC1	1924084079	QTCCEMOHXXYARL-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)[C@H](C)C1CCCCC1	1924132237	XSVOOMFNKCPRDP-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC=C1[C@@H](CN)CCCC12CCC2	1924889458	DNAIJYCBZYWCKA-CQSZACIVSA-N	249.442	4.668	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2C=CCCCC2)sc1C	1925765343	OBAWNOPPCNGINX-ZDUSSCGKSA-N	248.391	4.684	0	10	BJAE	
CCCC[C@](CC)(CO)C[C@H]1C=CCCCC1	1925947210	ZAMZSAJWBVBPAU-HOTGVXAUSA-N	238.415	4.702	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCC(C)(C)C[C@@H]1CN	1927166325	QWAJPKKWRJASTR-ZIAGYGMSSA-N	239.447	4.604	0	10	BJAE	
C1=C[C@@H](CC[C@H]2C[C@H]3CC[C@H]2C3)CCC1	1932605693	YKGHATVVRYZNLD-KBXIAJHMSA-N	204.357	4.559	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)[C@H](C)CC(C)C	1939034247	SDMNCJLEEFIGAE-KFWWJZLASA-N	227.436	4.616	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cc(Cl)ccc1C	1939405700	JOFHHBJQNITEGF-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)C(CC)CC	1940410014	QLCOFBKZELPIJE-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CCCC2(C)CC2)C1	1940878295	VKHSBVPLINEOGI-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H](C)CCC	1940936099	SAJBXYXZIBERAX-ZDUSSCGKSA-N	232.367	4.648	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(F)c1ccc(N)cc1	1940968406	XOJNQRACFXNPCO-WFASDCNBSA-N	237.362	4.526	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CCC(C)(C)C)NCC	1941265562	WMWGXPAQMYMUSX-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CN[C@H](CCCCCC1CC1)C1CCCCC1	1941587496	SXJQSUBCWJXIKE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CCCCCCCCCC[C@@H]1F	1942039179	OAJMQXAMRGSURA-LSDHHAIUSA-N	243.410	4.607	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@H](C)CCC(C)C	1942655782	BFFOLCPIXOINBI-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](O)C(C)(C)C1CCCCC1	1944617960	HYUWWCXOXQLTAP-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1cccc2sccc12	1945970230	MBVILSGIIKZRKP-CYBMUJFWSA-N	247.407	4.727	0	10	BJAE	
CC(C)CC(C)(C)NCCC1CCCCCC1	1946973066	UJPLBWCYEBQPLU-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)NCCC1CCCCC1	1948327406	PARWKBPWHREKDC-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CCCC(C)(C)C	1948979533	PQYYDBHXSSVKDG-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@@H](N)c1csc2ccccc12	1949000195	YXIMMLXXDADVHC-UEKVPHQBSA-N	247.407	4.583	0	10	BJAE	
CCCN[C@H](CCCC1=CCCCC1)C(C)C	1949828142	OTBUIENNYKRCTA-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CN1CCCC[C@@H]1c1ccc(C)o1	1964147989	BOOCIMSIDOKWIT-OAHLLOKOSA-N	249.398	4.551	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CCCC(C)C	1978423076	KOBACMLBMXIYEL-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C)[C@H](O)C1(C)CCCCCCC1	1981415217	BFEAREZPVFTGKE-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)(CC)C(=O)CCC[C@H]1C[C@@H]1C	1985899942	NYNJKNWINSTOFN-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC[C@](N)(CC)CC(C(C)C)C(C)C	1988313348	QMOGHVOFJOPQHO-OAHLLOKOSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)[C@@H]2CCCCC2(C)C)C1	1996238074	OKHQATBEMSXXSU-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CCC1CC1)NCCC1(C)CCCCC1	1996370848	AWKFHIXDBAMVIA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]1NC1CCCCCCCCC1	1998738811	NQXJZSNZMVSPRJ-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CC[C@@H](C)C1	2000188801	LZEXJZGVUXRLRJ-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CCCCF)CNC(C)C	2000499916	OXMVQYSVSNWDJU-OAHLLOKOSA-N	245.426	4.711	0	10	BJAE	
CCCC[C@](C)(CN)[C@H]1CCC2(CCCC2)C1	2000501909	JALUMVVZHPMZKT-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@](CC)(CNC)CC1(CC)CCC1	2000505914	WDAVMVXVPVQTMP-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](C)[C@]1(N)CCCCC12CCCCC2	2001571457	HIIPRAHOADZBEX-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNCC)CCCC(C)(C)C1	2002991021	OIHBWTOOHCHVES-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H]1CCC2(CC2)C1	2003200623	YWBDSURSFAAWLR-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@@H](C)CNCC1(C)CCCCCCC1	2004938084	ZJMDEVRZEOVTMY-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)[C@H]1CCCCC12CC2	2005602279	WYDAQXVQKAIRQJ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc2sncc2c1	2008089815	SIELOBVFJZDKQG-GFCCVEGCSA-N	248.395	4.677	0	10	BJAE	
C[C@H](CCO)C[C@@H]1CCC[C@H](C(C)(C)C)CC1	2008714867	BCMWVGHFEXKMNM-KFWWJZLASA-N	240.431	4.638	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CCC(C)(C)CCC2=O)C1	2009410702	LDQHITZLCYBUMN-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCN[C@@H]1CCC[C@H](CCC)CC1	2009594539	RZRWQQYUHRHVJS-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C1=CC[C@@H](CC)CC1	2010747792	MDJTZWTYOYVWFZ-FVQBIDKESA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC[C@]12CCC[C@@H]1C2	2011019434	LGAHALYTKQQBSF-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCC[C@H]2C[C@@H]2C)CC1	2011564344	RIKWQAWMKMOGLJ-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
Clc1cccc(NC[C@H]2C[C@@H]3CCC[C@@H]3C2)c1	2011970909	RBZBYHYPVGDBTA-XYYAHUGASA-N	249.785	4.578	0	10	BJAE	
CCCC[C@](O)(CC)C1CC2(C1)CC(C)(C)C2	2012112128	CHLZGLNDEZNPST-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@](CCCC(C)C)(CNC(C)C)C(C)C	2012413154	RIGJIXFZOUWTRM-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cccc(C)c1F	2013262908	DSVMCRMUFYMBQR-ZDUSSCGKSA-N	237.362	4.761	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CCCC2(CC2)C1	2013267562	RNKAYZIWAGYDHU-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CC[C@](N)(CCC(C)C)C1CC(C(C)(C)C)C1	2013295892	IHLCEZQQSKQCIU-XUJLQICISA-N	239.447	4.602	0	10	BJAE	
CC1(C[C@@](C)(O)[C@@H]2CCC2(C)C)CCCCC1	2014899345	OEJYMJOCFHMKAM-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CC12CCC2)CC(C)(C)C	2015517440	DHNLLAFQXBWHMJ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](CC(C)(C)C)NCC)CCC1	2015641805	JAXVBZWNMNEMKG-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)CCC=C(C)C	2016143379	FDIWEYLHWUPBNV-BZUAXINKSA-N	237.431	4.680	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)C(C)(C)CCF	2016759640	MBPWITWNZUKBPN-KGLIPLIRSA-N	245.426	4.567	0	10	BJAE	
C[C@@H]([C@@H](O)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017113719	DEBHVIVNCVIFLV-STQMWFEESA-N	240.431	4.636	0	10	BJAE	
CCCC1([C@@H](N)CC2(C(C)C)CCC2)CCC1	2017149375	ZMQVJJAYUKCDNN-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)CC1(C(C)(C)C)CCC1	2017236575	KBRUDWCSVDGQFE-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)c1csc2ccccc12	2017237569	MYBZRACZHULBGG-MNOVXSKESA-N	244.359	4.520	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)C[C@H]1CC[C@H](C)CC1	2017651015	ONHLAJHXEXVXCW-FPCVCCKLSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@H]2CC[C@@H](C)C2)CC1	2017655039	JOKRHLNVCZHAGY-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@H](CC)NCC)CC1	2017731823	VZVPEXSWINXFIZ-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](N)CCC[C@H]1CC[C@H](CCC)CC1	2017733042	HAILVCUXDATFPQ-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CCCC1(CN(C)[C@H](C)C(C)(C)CC)CCC1	2017787246	GVPYXYQMKHLUFN-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCCC(CCC)C(=O)C[C@]12CCCC[C@H]1C2	2018618652	GVYGPNHVTQOIQS-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CCCCN(CCCC)[C@@H]1CC[C@H](C)[C@H](C)C1	2019123804	JPBJMTIILRABBA-ARFHVFGLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@@H]1C=CCCCCC1	2019125077	XARUQYQQQCDTFT-HZPDHXFCSA-N	235.415	4.530	0	10	BJAE	
CCC[C@](O)(C[C@@H]1C[C@@H]1C(C)(C)C)C(C)(C)C	2022455571	XMGBVHKMWVTRIG-XEZPLFJOSA-N	240.431	4.636	0	10	BJAE	
CC(C)=CCC(=O)c1cc2cccc(Cl)c2o1	2023318923	KNVBWOMRSBALQJ-UHFFFAOYSA-N	248.709	4.625	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CC1CC(C)(C)CC(C)(C)C1	2024093144	YVPHGDYUXNZWLW-OCCSQVGLSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H]1CCCC(C)(C)C1	2024127939	IKVPDVCRFXVLLP-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CCC1CCCC1	2026147963	VVPBQLOGEDNHCO-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCC)C1=CCCC1	2026164351	RZEYPLXKFNWHQE-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@H]1CC=CCC1	2026165549	CIFKRTOMSBCDBO-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)C1CCC(n2ccnc2C2CC2)CC1	2028124261	JLAVVJXBFLLASW-UHFFFAOYSA-N	246.398	4.538	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)c1coc2ccccc12	2028256575	AUYUQVSODVPBRM-BLLLJJGKSA-N	245.366	4.505	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)c1ccc(C2CC2)cc1	2028612902	UCSCQGTYYUMNLS-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@H]1CC[C@H]2C[C@H]2CC1	2028968105	PFAMDUGYEPFLGA-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)C1(C)CC(C)(C)C1	2029107581	HQZHKPKFJXEZAL-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc([C@H](N)C2(C)CC(C)(C)C2)cc1	2029111373	FNFJFWIQUUXABE-HNNXBMFYSA-N	245.410	4.636	0	10	BJAE	
CC1(C)CC[C@H](Nc2ccccc2C2(C)CC2)C1	2032242294	FVWJBZUWZJCJCU-ZDUSSCGKSA-N	243.394	4.729	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)[C@@]1(C)CC1(C)C	2035595750	YNRONDIXCAFTDT-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@]2(N)CCCCC23CCC3)C1	2035924653	KYGJMFYNIGXNPB-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
N[C@]1(CCC2=CCCCC2)CCCC[C@@H]1C1CC1	2037171475	IZMRNWCSZBFHQJ-SJORKVTESA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC(C2CC2)C2CC2)CC1	2037189493	RHWQITFJUQXHGF-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC1CC2(CCC2)C1	2037977370	VWEZKWITUCZHQJ-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC2CC2)CC12CCCCC2	2039004501	AKHMYETZVHMNKU-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@H]2CC23CCCCC3)c(F)c1	2039049935	DEJSIDVOUHOWOA-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)CC23CCC(CC2)C3)C1	2039355334	ZGNYTNUPZVBMSV-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CCC(C)(C)C1CC1	2039432043	LATPOVAPNRDURN-IMJJTQAJSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)C1(CC)CCC1	2039719646	JNVUBHYYVCXGCS-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@]1(C)CC=CCC1	2042018676	HWXIOXVBFCRFPY-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@]1(CNCC2CCCCCCC2)CC=CCC1	2042072974	VCGATHLRPZNZPE-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCCCc1ccc(NCC2CC(C)C2)cc1	2042331137	PUVPNSMBJANFHU-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@H]1C(C)=CCC[C@@H]1C	2045811095	TYXRJHBZSKHPAF-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@H]1CCC12CCC2	2047927860	GNKQJAVBWGAPJF-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@H]1CCC12CCC2	2047938326	FRSUMDKXXZLRGN-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](C)NC2CCC3(CC2)CC3)C1	2049541740	YFZDQYKURXDXTC-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C1=CCCCCCC1	2049787687	AXQIOEOUBAFZTP-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C[C@@](N)(CC1CCC2(CC1)CC2)C1CCCCC1	2049851929	CSTDTFUKUNIMKB-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@@H]1CCC2(CC2)C1	2049857108	SBUHZZHGCOCIRI-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2CCCC3(CC3)C2)C1	2049862495	WKZRMVGODVAZQJ-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2CCC3(CC3)C2)CC1	2049947487	GYJTXJHDCHIABR-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@]1(C)C=CCCC1	2049995607	AOLHZNLESQLTKI-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
C[C@H](C[C@H](N)[C@@]1(C)C=CCCC1)C1CCCCC1	2049997503	NZPFYHMXMPFHIG-PVAVHDDUSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(NC2C3CCCC2CCC3)CC1	2050042828	RDIBNCGOPQAUMP-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC(C)(CC)CC)c1ccc(C)cc1	2050427479	BQPLWUJKFZGMNR-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2051406244	VFOORELLXJODHV-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2CC(C3CC3)C2)CC1	2056675390	LVVNAVCFRDHMGQ-UPNFEZNFSA-N	248.410	4.598	0	10	BJAE	
N[C@@]1(C=C2CCCCC2)CCC2(CCCCC2)C1	2056909470	CHANQAZMPRQOQK-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C1=CC[C@@H](C)CC1	2060922012	OXAKGCFXKSNENQ-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)C2(C)CC(C)(C)C2)CC1	2061140583	OOEKNYYZJHQGPC-HIFRSBDPSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC[C@]12CCC[C@H]1C2	2061607396	QNHIPLGXSCXEKN-VYDXJSESSA-N	248.410	4.886	0	10	BJAE	
c1cc2c(cc1CCC1CC(=C3CC3)C1)CCC2	2061718605	NPTJMFPOOZMVQN-UHFFFAOYSA-N	238.374	4.608	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CC2)C1)[C@H](C)CC(C)C	2061729231	UHFBWJZJQLCINE-DYVFJYSZSA-N	249.442	4.537	0	10	BJAE	
CN(CC12CCCC1CCC2)C1CCCCCC1	2063884347	KZPYLKJIBNOMET-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
Cc1cccc(OCC23CCC(CC2)CC3)c1C	2065285698	IMDUEJGWCYDJKG-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
NC(CC1=CCCC1)(C1CCCC1)C1CCCC1	2065935424	FJJBSIQILKRCIA-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C[C@H](NC[C@@H]1CC12CCCCC2)C1(C)CCCC1	2067507613	DBDHEMNAAGTMSA-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC(C(C)C)C(C)C)c1ccccc1	2069008967	QHZFHVBCFSLWTB-KRWDZBQOSA-N	247.426	4.656	0	10	BJAE	
CN[C@@H](C[C@H]1CC12CCC2)C1CCCCCCC1	2069200515	IQAHNFOYLONRQG-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN(C)[C@@H]2CCCCC23CC3)CCC1	2069281570	YVGKAAGEVCPHPL-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
COCc1ccccc1CC[C@H]1C=CCCCC1	2071400070	SELDXNKLQYOAEJ-HNNXBMFYSA-N	244.378	4.512	0	10	BJAE	
CC(C)(C)C1(C(=O)CC[C@]23CCC[C@H]2C3)CCC1	2071931115	VNPIKUNATSPFLJ-BBRMVZONSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@H]2CCC3(CC3)C2)C1	2072601959	DOLAVLWVGDRROU-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)C2(C3CC3)CC2)CC1	2072794679	WYTKSKAOPKJCPO-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@@H](N)c2ccc(C)o2)CC1	2072795074	AEHHCBJAOVOOCM-YMAMQOFZSA-N	249.398	4.584	0	10	BJAE	
CCCC1CCC(C[C@]2(C3CC3)CCCN2)CC1	2072802651	ZYRIVUDINOWPPA-DQPZFDDXSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@](O)(CC)c1cc(C)c(C)cc1C	2073343661	YBFWXDNBDJHGAQ-KRWDZBQOSA-N	248.410	4.790	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCCC2(CCCC2)C1	2074899352	KBUBDGKNTYYJGH-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
OC1(CCC2=CCCCC2)CC2(CCCCC2)C1	2075721094	MSVMWKOWRVTRAP-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H](Nc1ccccc1C1CCC1)c1ccoc1	2077264111	KCJJAQOZTNYAOH-LBPRGKRZSA-N	241.334	4.720	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1N[C@H]1CCCCC12CCCC2	2079530339	NTPFDCLRTFTFLK-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(NC[C@H]2C[C@H]2C(C)(C)C)ccc1C	2079617776	BIQCXYBPBGXDCI-GDBMZVCRSA-N	245.410	4.652	0	10	BJAE	
F[C@H](CNc1ccc(C2CCC2)cc1)C1CCC1	2083779303	ZZMNCUIXJNODBZ-MRXNPFEDSA-N	247.357	4.504	0	10	BJAE	
CCC1CC(C[C@@H](N)CC2CCC3(CC2)CC3)C1	2084995854	CTDCGWHXNBNELG-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
CCc1cc(N[C@H]2CC[C@@H](C(C)C)C2)ccc1C	2085240597	ZPMTYTQPEOICQO-WBVHZDCISA-N	245.410	4.794	0	10	BJAE	
CC(C)C1(C(=O)CCCCCCC2CC2)CC1	2213581559	YBEKYAWHYUDANF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC1CCC(C(=O)CCCCC2CC2)CC1	2214569302	LYIODUKOBSCHKQ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](O)CC1CCCCCC1	2215255450	WCGCHHSALLLGFS-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@H](N)C1CCCCCCC1	2215331193	KCPGFENALGTCEQ-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@]1(C)CC=C(C)CC1	2215817757	SMAUZGDAOCWPSZ-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCC[C@@H](C(C)(C)C)C1	2216253674	TVZFKAZBWMQWBW-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@@H]1CC(=O)CCCCCCCC1CC1	2216860638	BROJFNSVGVCNNM-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)NC[C@H](C[C@H](C)C(C)(C)C)C(C)C	2217145026	LGXIUXRZGRAYLM-KKUMJFAQSA-N	241.463	4.719	0	10	BJAE	
O=C(CCCCCCC1CC1)Cc1ccccc1	2218733634	YSDVFGGMWYKZJZ-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)C/C=C/c1ccccc1	2219047918	NCMBWNSIZJWTLL-RBGUKISJSA-N	246.394	4.523	0	10	BJAE	
NC1(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCCC1	2222934095	QWUUVOQLOAUHTF-OAGGEKHMSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CC1CCCCC1)N2	2224120520	LTLYUWFZVWNHBA-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
Cc1ccc(F)cc1CCC1=CCCCC1	2243237946	OOFUJRXBGKVVMY-UHFFFAOYSA-N	218.315	4.567	0	10	BJAE	
CCCN[C@H](c1cccs1)[C@H](CC)CCC	2244776175	VRULIMUQXYVMTK-OCCSQVGLSA-N	239.428	4.615	0	10	BJAE	
CC1CC(C)(CC(=O)[C@@H]2CCCCC2(C)C)C1	2246519627	NSNGFTAVIKZLCJ-UYJPIKCFSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1CCCCC12CC2	2246600589	BCSFVYVCQOENAN-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CC=CCC2)C1	2246660398	PNEADTTUSIKMSM-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
C[C@H]1CCC[C@H](CCCC2(O)CCCCC2)C1	2246729448	BVXHBRWJRQNENE-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
O[C@H](CC1=CCCCC1)CC1CCCCCC1	2247460750	FUOKXERPOYNKQZ-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCCC(=O)C1CCCC1	2248868115	ZKACHPLRCVBKNF-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC1(C(=O)c2ccc(C3CCC3)s2)CCCC1	2250279787	WHDHWTDJFCMZCE-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1C[C@@H](N)C1(C)C	2250479339	TUGQAZMPIWIIQP-UKRRQHHQSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@H](C)C1CCC1	2250489489	ZIKWDVJNVODUKO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@@H]1CC=CCC1	2250526622	FUHMNJNLPUHVFJ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC1(C[C@@H]2C(=O)C(C)(C)CCC2(C)C)CCC1	2251710321	BAOJQXBFHIBQRE-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C=CC[C@H]1CCCCC12CC2)CN	2253816832	UXKBLCVAECCJAH-JKSUJKDBSA-N	249.442	4.524	0	10	BJAE	
N[C@@H]1CCCCCC1=CC[C@H]1CCCCC12CC2	2253824433	QBLHYVVZHYDIIQ-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@]23C=C[C@@H](CC2)C3)C1	2253916986	IBULWZQCIGLQPH-AIANPOQGSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2CC3(CCCC3)C2)[C@@H]1C	2254112996	HZBUNXRTBVFQIY-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@@H](C[C@H]2CCC23CCC3)NC)CCCC1	2255026407	IJFLXYFYOQEDKL-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@H]1CC[C@@H](C)C[C@H]1CC1=CCCCC1	2255095760	HITFPRKMVZORMU-PVAVHDDUSA-N	249.442	4.539	0	10	BJAE	
CCc1cccc(F)c1NC[C@@H]1CCC[C@H](C)C1	2256114168	GULVJTFNGGKZDA-QWHCGFSZSA-N	249.373	4.626	0	10	BJAE	
Cc1cccc(C)c1OCCCCC[C@H]1C[C@H]1C	2257245887	CNPOUFIGFSOZSU-CVEARBPZSA-N	246.394	4.899	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNC12CCCC1CCC2	2257363661	ZQSVEXIQKTWSTO-NJINODPHSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(NCC2CC3(CC3)C2)c1	2257957974	RXRDQUMTOFKSSW-UHFFFAOYSA-N	243.394	4.586	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1ccc(C2(C)CC2)cc1	2259446932	IVOGGGYJSMSJHS-CJNGLKHVSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2CC3(CC(C)C3)C2)C1	2259583451	UHMVPWWFLIXALZ-LBFCRXEYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)C[C@]12CCC[C@@H]1CC2	2260576750	ATXAKUZUMRMIEF-SJKOYZFVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@@]12CCC[C@@H]1CC2	2260586819	JQJSOJZSGBFAKY-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC(CN[C@H](C)CCCC(C)C)C1	2298839835	DFSVRELYICKKLH-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](C)(O)C(CC1CC1)CC1CC1	2298845417	PPCBMJUALWTBKJ-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@]1(N)CC[C@H](C)[C@@H]1C(C)C	2300705764	HYGIRCURHOXAKH-CWRNSKLLSA-N	239.447	4.602	0	10	BJAE	
CC(=CCNCC1(C)CCC1)CCCC(C)C	2300867750	PWBXBEHRDROJRB-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H]1CCC[C@H](C)CC1	2300900260	WHVJDHOBKUUNMF-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CC1CCCCCC1	2301140391	OQCJYYMOOBVWPD-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1C[C@H]2CCC[C@H]1CC2	2301144446	DORFPRPYFHEYIO-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N(C)C[C@@H](C)CC(C)(C)C	2301702232	VMLACJVVTORDAR-RRFJBIMHSA-N	241.463	4.671	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)CC[C@H]1CCC[C@@H](C)C1	2301941861	LZHAXBOTJHOFLM-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@H](C)[C@H](C)C(C)C	2301954035	VXYOHCYOYBBAIV-JJXSEGSLSA-N	242.447	4.882	0	10	BJAE	
CCCNCC[C@H](C)C[C@H]1CCC(C)=C(C)C1	2303520455	AVQOAYWPQKWEIU-XJKSGUPXSA-N	237.431	4.539	0	10	BJAE	
CC(C)=CCC[C@H](N)c1cccc(C(C)C)c1	2303662966	NYTKAZQMMFASFW-INIZCTEOSA-N	231.383	4.556	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC[C@@H]1CCC(C)(C)C1	2304388885	WWMUCHRCXRNVER-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)N(C)CC[C@@H]1CCC(C)(C)C1	2304439783	MENLNYFXCCLZFH-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)CN1CCCC[C@@H](C(C)C)C1	2307749609	MCZXIOVORLMQKI-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCC[C@@H](CC)C1	2307750803	YYBMWYNBYLHIME-RRFJBIMHSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C(C)(C)C1CCCC1	2307843282	OFOJJKHNJZETIM-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)CC1(CN)CC(C(C)(C)C)C1	2307847381	ZYEATSVEBPKSGO-VQCLRJIVSA-N	239.447	4.604	0	10	BJAE	
CC1([C@@H](N)CC[C@@H]2C[C@H]2C2CC2)CCCCCC1	2308415023	UEZAHSLYZZFMOX-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H]1CC[C@@H]2C[C@@H]21	2308621585	FSPMKJZOJFQXFX-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2CC[C@@H]3C[C@H]23)CC1	2310924330	COUWTTPSKXFBAG-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](NCC)C1=CC[C@H](CC)CC1	2311513154	SUXNAELUZAKYLI-RKTXRCNFSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@H]1C[C@H]1C1CCCCC1	2311610508	UAKFQYQOMOFREV-UGUYLWEFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C[C@H]2CC[C@@H]3C[C@H]23)C1	2311893230	WTHCUFGVZIBMFF-DSJMHWKBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@@]12CCCC[C@@H]1CC2	2313315782	PMVZTHXQHOQXSJ-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC[C@@](N)(C[C@@]12CCC[C@@H]1CC2)C1CC1	2313343399	DBQOHYXQULAIJS-HYVNUMGLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@@]1(N)CCCCC12CCCC2	2313669594	USINZWNXENGDGG-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC(=CCN[C@H]1CCC[C@@H](CC(C)C)C1)C1CC1	2315267169	WXVCARYUMANJOG-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN1CC(C)=C[C@@H](C)C1)CCCC(C)C	2316513292	PSTRQYVPBQTFKL-MRXNPFEDSA-N	249.442	4.657	0	10	BJAE	
CC1CCC(C(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316752964	TTZDGAWFBHRQEW-BEBHXBEKSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(CN2CC[C@H]2C2CCCCC2)CC1	2316875789	QVPXCKSNPOFMRV-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@H]1CC12CCCC2	2317004850	QTDLXMFFXGWGJH-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1C[C@H]2C[C@H]1CC21CC1	2317041469	ZVQXPXOZEMIBFB-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(c2cc(CN)cc(C(C)C)c2)CC1	2317101220	IFCBLWPFAGKMNI-UHFFFAOYSA-N	245.410	4.562	0	10	BJAE	
C[C@@H]1[C@H](N[C@@H]2CCCCC23CCCC3)CC1(C)C	2318184097	RJKHIIVHAFSEMV-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CN[C@@H]1[C@H](CCCC2=CCCCC2)CCC1(C)C	2318540759	QTUNFGZVHBQAIA-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)C[C@@]12CCC[C@@H]1C2	2318581619	YPMFLNRFQCTZSA-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@H](N)C[C@@H]2CCC(C)(C)C2)c(C)c1	2319313236	PEIPZVHDUMYSNJ-GOEBONIOSA-N	245.410	4.520	0	10	BJAE	
CC(C)(CC(=O)CC[C@H]1CC[C@H]1C1CC1)C1CC1	2319693242	OFUBVDONFATCKQ-BBRMVZONSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@](CO)(C[C@H]2C=CCCCC2)CC1	2320265894	OFCPOZAJKSDENR-IRXDYDNUSA-N	248.410	4.622	0	10	BJAE	
C=CC=CCC[C@@H](NC)c1cccc(C(C)C)c1	2320513428	JFRCKKROWYKYGM-QGZVFWFLSA-N	243.394	4.593	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@H](C)C2CCC2)c1	2320568183	XPKXYQXPYIHVKC-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCCCCCc1ccc([C@H](O)[C@H](C)CC)cc1	2327898681	INIAERNIMGLTKB-RHSMWYFYSA-N	248.410	4.889	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)CCC(C)C	20520184	CFMNCQDRDNUZBW-GJZGRUSLSA-N	227.436	4.760	0	10	BJAE	
CCC[C@H](C)Nc1ccc(C(C)(C)C)cc1	22149509	WZZHKSGYINALFR-LBPRGKRZSA-N	219.372	4.585	0	10	BJAE	
c1cc2c3c(cccc3c1)-c1cscc1-2	34346520	ZAINIBDTQXROAL-UHFFFAOYSA-N	208.285	4.549	0	10	BJAE	
CCC(=O)c1ccc(-c2ccc(CC)cc2)s1	34974655	PXIIHWUPNGHOLT-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CCCCCN[C@@H](c1ccccc1)C(C)(C)C	36994504	HGYORPPXTVWDLS-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CC(C)CCNc1ccccc1-c1cccs1	37075661	XLDPDSXHQDGAQU-UHFFFAOYSA-N	245.391	4.873	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@H]2CCC[C@H](C)C2)c1	37248926	IEGZFDXNQUYHAG-RCBQFDQVSA-N	245.410	4.533	0	10	BJAE	
Cc1ccc([C@H](C)NCC2CCCCC2)c(C)c1	37259486	CUCZPGATVFTYEW-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCCCCCC(C)(C)[C@H]1CC[C@H](C)C[C@@H]1N	69406192	XRVOHLIJNMRZAQ-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
C[C@H](N[C@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCCC1	70305893	ZOXJDKDFAQXUTQ-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCC(C)(C)C)CC1	83520404	JKBIYEXWYJIQQV-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](C[C@H](O)c1sccc1Cl)C(C)(C)C	87623257	BFJNAGVFNGVWCU-WPRPVWTQSA-N	246.803	4.507	0	10	BJAE	
CCN[C@H](CC)[C@@H]1CCC[C@H](C(C)(C)C)CC1	92595996	HQKDRMAIXWUQGO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](NC)c1ccc(C)cc1C	97468168	QNJPVCZZJNDDLS-MRXNPFEDSA-N	233.399	4.534	0	10	BJAE	
CCC[C@H](CC)Nc1nc2ccccc2cc1C	104181158	HZRVSSQLVDMVIL-AWEZNQCLSA-N	242.366	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1c2cocc2[C@H]1C(C)(C)C	104832886	VEBUVGHKNICLNH-VXGBXAGGSA-N	206.329	4.553	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cccc(F)c1C	109939537	WMWLZKOGYAYIBS-YPMHNXCESA-N	237.362	4.761	0	10	BJAE	
CCCC[C@H](N[C@@H]1CCC[C@@H]1C)c1ccccc1	109963762	FGTGFQRFCGCLIG-UAGQMJEPSA-N	245.410	4.696	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)c1ccc(C)cc1	111648192	LCIBODOLFFGIGK-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
CCCCCC[C@H]1CCCCC[C@@H]1NCCC	112869773	RSOBTPUHYTZIBB-HOTGVXAUSA-N	239.447	4.905	0	10	BJAE	
CC(C)c1ccc2nc(C(C)C)sc2c1	114613295	GYQVKPWFSZGVPF-UHFFFAOYSA-N	219.353	4.543	0	10	BJAE	
Clc1cc(-c2ccccc2)cc2ccoc12	131550411	ZPNDQKLRRAYKHW-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CCC)C1CCCC1	133202907	GTWGDWYTTPSPGE-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](Cl)c1ccccc1Br	143293146	JZOSYEGRVHPYQJ-JTQLQIEISA-N	247.563	4.529	0	10	BJAE	
CC(C)(C)Cc1ccccc1-c1ccccc1	148866854	QDRJHIDESBKUKW-UHFFFAOYSA-N	224.347	4.942	0	10	BJAE	
CCCc1cccc([C@@H](N)CC2=CCCCC2)c1	161191409	NKSKUOAIQUIVPZ-KRWDZBQOSA-N	243.394	4.529	0	10	BJAE	
Cc1ccccc1C(=O)C1(CC(C)C)CCCC1	164128384	OMQSXCQVWMWWRX-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
C[C@H]1C[C@H](C(=O)CC2CCCCC2)CC[C@H]1C	166087270	TWOBJSFORKEEFP-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)C(=O)CC1CCCCC1	168007152	TWHPAYLNMBLVIZ-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
C[Si](C)(C)C(c1ccccc1)[Si](C)(C)C	195754994	NISUIYZIODIZTR-UHFFFAOYSA-N	236.507	4.525	0	10	BJAE	
Cc1ccc(C2(C(C)(C)F)CCCC2)cc1	220340134	UBCAZRROVQWMCS-UHFFFAOYSA-N	220.331	4.555	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1	220576788	OUCAYQOPJZTKOZ-JKIFEVAISA-N	245.410	4.876	0	10	BJAE	
CSc1cccc(N[C@@H]2CCC[C@H](C)[C@@H]2C)c1	221606959	ZJFNQKYVMCSBAC-SLEUVZQESA-N	249.423	4.645	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCC[C@@H](C)C2)cc1C	222510822	KACNOWDZYKIZFR-SRCQZFHVSA-N	245.410	4.533	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCCCC2(C)C)cc1C	226527478	PRLZHGXURGWDBJ-OAHLLOKOSA-N	244.378	4.703	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCC[C@@H]1C	226780021	OZBFFZLHSFCDRG-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@@H]1CCCC1(C)C	226825833	PHSHGDJNXGBZBF-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)c1cccc(C)c1C	229340020	RMOYEUIGHWKABL-PVAVHDDUSA-N	245.410	4.520	0	10	BJAE	
Clc1cccc(-c2cccc(C3CCC3)c2)n1	229643929	ZLNXYOPUIUAMGM-UHFFFAOYSA-N	243.737	4.670	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)CC1CCC1	229688968	JOCJJOUUDUFOIV-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc(Cl)c2ncc(Cl)c(Cl)c12	232219501	FGFHDJWJPLNFQJ-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
Cc1cccc(Oc2ccc3ccccc3c2)c1N	235989338	WFUBVKWAMNGLDX-UHFFFAOYSA-N	249.313	4.523	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O	250797677	BKZMEICOPWJNTE-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CCCC[C@H]1CC	253040463	KKPOQQIHRCUZHW-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(c2ccc(C#N)cc2Cl)CC1	258438748	UFXANDKMFZNRLN-UHFFFAOYSA-N	247.769	4.895	0	10	BJAE	
CCCC[C@H](N[C@H]1C[C@@H]1CCC)c1ccccc1	300593752	ZJACKNJSUBFQKR-ULQDDVLXSA-N	245.410	4.696	0	10	BJAE	
CCc1ccc(C(=O)CCC(C)(C)C)cc1CC	302292502	LLRFEWMHUYVJDG-UHFFFAOYSA-N	246.394	4.820	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)C)c1cc(C)cc(C)c1	302317303	JENQHJHAHZEVJU-DYVFJYSZSA-N	247.426	4.636	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)C1CCC(C)(C)CC1	305938588	LBKBXOKHCNAACZ-ZFWWWQNUSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1ccc(C(C)C)cc1	305950009	CQTJCBKPTDVRND-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
CCc1ccc(SC)c2c(Cl)csc12	306856176	XOBSMFNIFQULBK-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC1(CC2(N)CCC(C(C)(C)C)CC2)CCC1	310128327	JXBIMTRAZMJIGI-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@@H](O)C[C@H]1CCC[C@@H](C)C1)C(C)(C)C	310420699	NZVGTYDPLZWASU-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
Cc1ccccc1[C@@H](C)NCCC1(C)CCCC1	311227376	PZUAUKWAHVBQGP-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
CCC[C@H](C)C1(CNCC)CCC(C)(C)CC1	317141467	OOYOLFUDLHWUIG-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC(C)C)C(C)(C)C1CCC1	322600664	MSPZDZZGLICFBN-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@](C)(CC)C[C@@H](C)C1CCCCC1	379919795	QBVSOHJQTMNAMO-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C)c1ccccc1C1=CCCCC1	380664435	IQFABNGHGRZWBB-CQSZACIVSA-N	243.394	4.705	0	10	BJAE	
CN[C@H](C)CC(C)(C)CCCCCC(C)C	383170299	KWUQOMFOKRIJAG-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@@H]1CCCCC12CCCC2	383499123	DUGULLFANDZIAY-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CCC)CC1CCC(C)(C)CC1	383546392	VWUHHGQUCHFEQV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1OC[C@H](C)C1CCCCC1	383680782	QSDONYBOIBFFQC-AWEZNQCLSA-N	232.367	4.590	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)(C)C)[C@@H](C)CC(C)C	383753817	COWSGCPBPLBTNW-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](C)c1csc(-c2ccc(C)s2)n1	384228169	FRMGAUMIPXTLTL-MRVPVSSYSA-N	237.393	4.694	0	10	BJAE	
CC(C)Cc1cccc([C@H](O)[C@@H](C)CC(C)C)c1	384468471	RGFWXQBALZOVQA-WMLDXEAASA-N	248.410	4.601	0	10	BJAE	
CCCC[C@H](CC)CNC/C=C\c1ccccc1	385279906	RSSOEGZMMQKSID-OVHOFWQVSA-N	245.410	4.506	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCCC23CCCC3)C1	385586407	GZUGAZINMVZGGV-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](NC)[C@@H]2C[C@H]2CC)cc1	387683284	RREOXJKAQRCXHH-BQGCOEIASA-N	245.410	4.507	0	10	BJAE	
CCCCCCNCC1(C)CCCCCC1	394606768	GFLQZSBQFGPPIM-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
CC1(/C=C(\CN)C2CCCCC2)CCCCCC1	394668655	KRJRQMJYGCGYTE-DTQAZKPQSA-N	249.442	4.812	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC12CCC2)c1cccs1	394754117	WSWAZQAHKXBLEV-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
CCOc1csc2ccc(C(F)F)c(C)c12	396238056	ITLZDAIMHJFGHW-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
C[C@H](C[C@H](N)C[C@H](C)C1CCC1)CC(C)(C)C	398727377	RQHHINIHBRIRBP-IPYPFGDCSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1coc2ccccc12	404639373	KVCOJYLZFCUOSJ-WBMJQRKESA-N	246.350	4.683	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(O)CCCC1CC1	406024006	INJDSVDNAUFKOY-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(CNc2ccc(Cl)cc2)CCC1	687271945	TYBMQUFXOQICIR-UHFFFAOYSA-N	237.774	4.578	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCCCC[C@@H]2C)c1	691078434	IZFSBOSPXVAZHK-GXTWGEPZSA-N	235.346	4.515	0	10	BJAE	
CSc1cccc(N[C@@H]2CCCCC[C@@H]2C)c1	691104198	OMUIJXAIDTXEQN-SWLSCSKDSA-N	249.423	4.789	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)C1CCC(C)CC1	692059338	LMWDCTLBYSELIJ-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1(CC2CC=CC2)CCCCCC1	692153067	CMKKUWBFDXIDED-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C[C@H](CC1CCCC1)NC[C@@H]1CCCC2(CC2)C1	695728153	DLEHETJUJBYYIY-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](O)CCc1ccc(C)cc1	696597826	JLWRQMJLNUZFBM-MRXNPFEDSA-N	248.410	4.505	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCC[C@H](C2CC2)C1	696678975	QDSBGQWMOJTBDC-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1CC[C@H](C)C1	697759657	RRKMDUOJDWVILA-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCc1cccc(NC2C(C)(C)CCC2(C)C)c1	699618786	XIBGXIFIJRLALA-UHFFFAOYSA-N	245.410	4.876	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CCCC(F)F)CC1	699922494	IEEWWQRCGFKOBJ-GXTWGEPZSA-N	248.357	4.533	0	10	BJAE	
CCC[C@](N)(CCCC(C)(C)C)[C@H]1CC1(C)C	704473347	JPQOPERLXUYHES-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H]1CCCC[C@H]1C	704841456	GBAGYZBGOIXWAB-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)c1cccc2ccsc12	704888374	GFHBPEWSVKTTII-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)(C)C)C1(C)CC1	709183171	DQVUURVFQOBMDD-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC[C@@H](C)CC(C)(C)C)C1CC1	709193498	WJVOTPIBAZFPJQ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@H](CC)C(C)(C)C	711101565	CCPMVDWPZIPSQO-KBPBESRZSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](CCC[C@H](C)C(C)(C)C)NCC	711220211	VTLMKHOYUUMIRN-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)C[C@H](C)CC(C)(C)C	713218542	WMJJGIUMOCUWDU-KBPBESRZSA-N	241.463	4.848	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@@H](C)CC(C)(C)C	713233285	MMQWMYBRTVCOOL-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCC[C@]1(CC(C)(C)C(C)C)CCCCCN1	713268323	OZRBNALWDMDYCB-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)C1CCCCCCC1	713270978	ZOTZNISGFHZMQE-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
C=C/C=C\CC[C@@H]1C[C@H](C)CC[C@@H]1CNCCC	713713214	YUADCCLXBBZOOY-SKACODALSA-N	249.442	4.561	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCCC2CC2)cc1C	716399162	REUIABDJJXTSGP-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](C)N[C@H]1CCCCCC1(C)C	719241165	VHHPPNFRYLEQJD-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@@H]1CCCCCC1(C)C	719273372	ATECJMQPQOQJSN-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@]1(O)CCCCCC1(C)C	719290546	HZHWVNKTYNXOQQ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@@](O)(CC)CC1CCCCC1	720977146	MABZFNVRBSWEJB-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@H]1CCCN([C@@H]2C=CCCCCC2)CC1	1559545929	JVQWICWBSVTQDL-DLBZAZTESA-N	249.442	4.633	0	10	BJAE	
C=COc1ccc(NCCC2CCCCC2)cc1	1664970614	UKHDFOZABOCVQD-UHFFFAOYSA-N	245.366	4.591	0	10	BJAE	
C/C=C/CCCc1cccc(Cl)c1Cl	1885374402	SXWBYPZGSPGCAX-NSCUHMNNSA-N	229.150	4.892	0	10	BJAE	
CCC(CC)c1cc(Br)ccc1C	1889493526	FHMURDPHKSUQHP-UHFFFAOYSA-N	241.172	4.661	0	10	BJAE	
CCC(C)=CCc1cc2cccc(C)c2o1	1900905718	LAJKAKBQNUHCDY-UHFFFAOYSA-N	214.308	4.640	0	10	BJAE	
CCC[C@H](CC)CSc1ccc(O)c(C)c1	1905369984	VYPXKFCMUGWBEJ-LBPRGKRZSA-N	238.396	4.619	0	10	BJAE	
CCC(=C[C@H]1CCC[C@@H](C)C1)CNC(C)(C)C	1905427795	VFDLSAZQCXUAIE-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)c1ccc(C)s1	1905442468	DHOBDZOYTQJHSI-OLZOCXBDSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@H](CC)CCC	1905448120	XVFSFBWNPFZWPF-ILXRZTDVSA-N	228.420	4.780	0	10	BJAE	
CCCCCC[C@](C)(N)CC[C@@]12CCC[C@@H]1C2	1908447844	LQHCWXYRGOXYIQ-OWCLPIDISA-N	237.431	4.645	0	10	BJAE	
C=CC=CCCC(=O)[C@]1(C)CC[C@H](C)C1(C)C	1911781831	PSHZOJWPVIEDBS-BBRMVZONSA-N	234.383	4.540	0	10	BJAE	
CCCC[C@](N)(CC)CCC=Cc1ccccc1	1911917709	JRVXQCROXQCMKR-QGZVFWFLSA-N	245.410	4.778	0	10	BJAE	
CC(C)CC[C@@](C)(O)CCC=Cc1ccccc1	1912006613	AIGYXULUEPYZEA-KRWDZBQOSA-N	246.394	4.667	0	10	BJAE	
CCCC[C@H](CCC)Nc1ccnc(C2CC2)c1	1913023853	YVNVWSXTKJCXOK-AWEZNQCLSA-N	246.398	4.730	0	10	BJAE	
CCCCC[C@@H]1CCCCCCCC[C@H]1N	1913403698	KPQOCABKVQZAQT-HUUCEWRRSA-N	225.420	4.645	0	10	BJAE	
CC(C)[C@H](N[C@@H]1CCC2(CCCCC2)C1)C1CC1	1915921536	DBKLSCVLRYMIPI-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@@H]1CC[C@@H](C)C[C@@H]1NCCC	1916012861	BZEGZNPIQWGGIW-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@]1(N)CCC2(CCCC2)C1	1916439204	RRGJFXIDQOJIJC-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1CCC2(CCCC2)C1	1916443589	YXXILEOMKZGCLF-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@](N)(c1cccs1)C(C)C	1919516487	VNXGMKCOBWPTFC-CQSZACIVSA-N	239.428	4.529	0	10	BJAE	
CCCCCC[C@](C)(N)c1cccc(C2CC2)c1	1920186295	GMRZOUJUSFGNRY-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
CC(C)(C)NC[C@]1(CC2CC2)CCCC12CCC2	1921606220	QTGIDSBHMVRCHS-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@]1(CN)CCCC12CCC2	1921632553	ICWCJHPHOBZXNX-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
OC1(C2=CCCCCCC2)C[C@H]2CCC[C@@H](C2)C1	1923481363	ZKVOUSJJMKCHEQ-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)c1ccccc1Cl	1925767913	DRDGTDVODWMWND-GFCCVEGCSA-N	248.753	4.659	0	10	BJAE	
CCC(CC)CCN[C@]12CCCC[C@@H]1CCC2	1926209867	OREYOQGKJUVACY-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
C1=C(C[C@@H]2CCC3(CCCC3)C2)CCC1	1934208213	AEQDXHRACNTBDE-AWEZNQCLSA-N	204.357	4.847	0	10	BJAE	
CCC[C@@H](C(=O)c1cc(C)sc1C)C(C)C	1936209181	MSYZISJIZNBCKX-GFCCVEGCSA-N	238.396	4.620	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1cscc1C	1938805444	WUQNMQMOBBQHEF-GFCCVEGCSA-N	238.396	4.702	0	10	BJAE	
CC1(CC(=O)C2(C)CCCCC2)CCCCC1	1940384362	CHZSFKXIUVBENG-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(CC2(C)CCCCC2)C1	1940400972	GSNVJDQPNDHNAY-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCN[C@@H](CCC(C)C)CC1(C)CCCCC1	1940411419	WJRONVCAQSATID-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(N)(CCCC2(C)CC2)CC1	1940880069	FSNWKIZDFIWEOT-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
c1cc2cc(N[C@@H]3CC[C@H]4CC[C@H]43)ccc2s1	1941027070	HFAKFIRWWASMEW-LERXQTSPSA-N	243.375	4.502	0	10	BJAE	
Cc1ccc(NC2CC(C3CCC3)C2)cc1Cl	1942146165	QFXIRVTYYJJDEM-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CCC(C)(C)C[C@@H]1C	1942657936	GOVFXJCLFRPRDX-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@H](C)n1ccc2ccc(F)cc21	1942661500	NHUQSOIDMRAUBI-LBPRGKRZSA-N	233.330	4.778	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)CC2CCCC2)C1	1944198329	GBLQXDDYDOAPLH-NHAGDIPZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)CNC(C)(C)C(F)(F)CC	1944575699	DEXVHVJFSMANSC-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](O)C1CCCCCC1	1944624554	ZXQHEPFOQHTRBI-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@](C)(N)CC1CCCCC1	1944830273	GHQJVRFWYGDJPA-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)c1cccc2sccc12	1945956967	GWRDIAYVWZPVHZ-AWEZNQCLSA-N	248.391	4.905	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)CCCCCC(C)C	1947527983	XSFXIXAALYTAHT-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CC12CCCC2)CC(C)(C)C	1948079088	BQFVYXNRMYWGMB-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)NCC1(C)CCCCC1	1948324775	CJTSYAGIVZMZIV-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCCC1CCCC1)NCCC	1948435629	NLJFLJGCJZWXEA-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCC(CC)C[C@]1(N)C[C@H](C)CCC1=C(C)C	1948965333	YLZAATVPGZSCRX-CZUORRHYSA-N	237.431	4.667	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CC[C@H](C)[C@@H]1C(C)C	1949045785	VOGSUPSUZPVURN-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCCC12CCCC2	1949046161	BKLNIXRNLWSSJH-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@@H](C)CCC(C)C	1949082080	ZYOIUVYINASLHP-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](N)(C1CCCC1)[C@@H]1CCC(C)(C)C1	1949433780	OUAFSBNCXBROCJ-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@H]2CC[C@@H](C)C2)CC1	1949436496	XEBOVZUJCUIOAC-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CN[C@H]1C[C@H](CCCC(C)(C)C)CCC1(C)C	1949654298	SLMHBXFYJMPPBC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C1CCCC(CCN[C@@H]2CCC[C@@H]2C2CC2)CC1	1967852974	ORGVRIQWJZKTQC-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC(CC2CC2)CC2CC2)c(C)c1	1968254299	DUJHECAPOGGLKN-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
Cc1ccccc1OCC[C@H]1CCC[C@H](C)C1	1968271881	YMYDWKZQCNSSCF-DZGCQCFKSA-N	232.367	4.590	0	10	BJAE	
Cc1cccc(C)c1NC[C@H]1CCCC(C)(C)C1	1968351901	OWQNUDYNRBVVFM-HNNXBMFYSA-N	245.410	4.932	0	10	BJAE	
CC1(CN[C@H]2C[C@@H]3CCCCC[C@@H]3C2)CCCC1	1969395448	LTRQZSFTRNDFKV-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCCCCCCC1=O	1980318999	KDJNUZTWCOIBRC-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC=CCCCC(=O)C[C@H](CC)C(C)(C)C	1984575302	LEYLSFSFRCMKNJ-ZDUSSCGKSA-N	224.388	4.764	0	10	BJAE	
CCCCC(C)(C)NCC(CC)(CC)CC	1987102454	SLOJWYCWUAHALS-UHFFFAOYSA-N	227.436	4.761	0	10	BJAE	
CCCC(=O)CCCC1CCC(CC)CC1	1989839442	QDMRMWPXSROXCH-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCCCN(C)[C@@H](CC)CCCCC	1990805572	KGEXYRSJIMXOKA-HNNXBMFYSA-N	227.436	4.857	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCC(C)(F)F)CC1	1997106591	WAJMVASPQOVANT-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)C1CC=CC1	1997543849	MBGJYLPYWHURLY-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CC1CC(C(C)(C)C)C1	1998259808	VWRMRHQTRWGYSM-XSCHDIRWSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)CCCC(F)F	2000378712	HXTZECYRKXEWLQ-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C[C@@H]1CCC12CCC2	2001851957	QUKNGQRXUPCHEB-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccc(C(F)F)o1	2002071332	IDLNUVPYPWTDQF-UHFFFAOYSA-N	242.265	4.536	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)[C@@H]1CCC[C@@H](C)C1	2003013662	IPEBNAKNFXLGDS-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2CCCCCCCC2=O)C1	2003070280	KOUZPNIHWMPEDZ-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@H]1CC[C@H](C)CC1	2003103901	OQJGNLBWOBTPGL-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
C[C@H](NCC1CCCCCCC1)C1(C)CCC1	2004822775	PDDAZFCKXGOUJM-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCC1CCC(N)([C@H]2CCC[C@@H]2C)CC1	2006767389	YNUZRAULUSEIBA-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1CC(CCC(=O)CC2CCCC2)C1	2007774832	MMILPRPGTXKOHI-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H]1CCC[C@@H](NCCC)[C@@H]1C	2009618174	ZSHSGLOSQKSSJI-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(O)(C[C@H]2CCC[C@@H](C)C2)C1	2009715213	ZRDISZVBSJPTCB-QVOMUQBLSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)CCC(C)C)C1	2009717893	POBBGXMHDKWXMK-FHERZECASA-N	239.447	4.760	0	10	BJAE	
CC(C)CC[C@@H](O)C1=CC[C@H](C(C)(C)C)CC1	2010724775	DJLMDXJCLPIHLW-LSDHHAIUSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@@H](C)CC1=CC[C@H](C(C)(C)C)CC1	2010767962	XPEDOZQZWAUSJV-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011976029	XWKJNXNGMPYDJM-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC(C(C)C)C(C)C)[C@H](C)C(C)C	2015285258	UZTAYXHSJKXVCV-GDBMZVCRSA-N	241.463	4.575	0	10	BJAE	
CC(C)C(CN(C)[C@@H](C)CC(C)(C)C)C(C)C	2015335529	TVKWEHHSJLLMQJ-AWEZNQCLSA-N	241.463	4.671	0	10	BJAE	
CCN[C@H](CCCC(C(C)C)C(C)C)C(C)C	2015407822	DVSAWNJSOQXXNY-MRXNPFEDSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)CC(C(C)C)C(C)C	2015412070	KKPKTISTRVIUTR-GDBMZVCRSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CC(=O)[C@]2(C)CC=CCC2)CCC1	2015595152	LAUCWKXRTKOYAS-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CCCC1(C[C@@H]2CC[C@H](C)CCC2=O)CCC1	2015595302	LRMFYFBHWYJDIV-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](CN[C@H](C)C1CCCCCC1)C(C)C	2016106414	NAVIIYXBJNPHRF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC1(C(C)C)CCC1	2017116842	NWKJTLBAWIJLIK-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCC1([C@H](N)CC2(C(C)(C)C)CCC2)CC1	2017146626	VBQUYQBRVCENGL-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@@]2(O)CC[C@@H](C)C2)CC1	2017648550	NUYNPEWIFBYYNH-PRLABOORSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CN[C@@]2(C)CCC(C)(C)C2)CCC1	2017907269	GTTZCEAFZPBZGQ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H]1C[C@@H]2CC[C@@H]2C1	2018129322	BRBZXCAJIZPNCY-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC12CCCC2	2018141155	LGIJIXLZQNLEMH-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCC1(C[C@H](O)[C@H]2CCCC(C)(C)CC2)CC1	2018967386	KPUPNMITMIOJQC-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)[C@@H](C)C(C)C	2019008873	SDBAXQIAZACVII-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CN(CC(C)C)C(C)C)CC1	2019479635	DRDRSFGQRVHBOQ-WKILWMFISA-N	239.447	4.569	0	10	BJAE	
CC=C(CC)[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1	2020973861	KBTKQDPEHCRCEU-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1cccc2sccc12	2022410828	CCPRENWPGXRXFO-MFKMUULPSA-N	244.359	4.520	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1C[C@H]1C1CCCCC1	2022418024	SGOUZZKKUJBBLV-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1cccc2ccsc12	2022495653	KTGFFKZBSQAMHB-CHWSQXEVSA-N	245.391	4.749	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1C[C@@H]1C1CCCC1	2022556634	HSKJQMQZVLQNPM-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@H]1C[C@H]1C(C)(C)C	2022621337	UVMYWXMGTRZDIF-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
CCN[C@@H](C=C1CCC1)C[C@H](C)CC(C)(C)C	2022684205	SWPZCAFBDIBKIQ-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1cccc([C@@H](N)CC[C@@H]2CC2(C)C)c1	2027828026	XXFHEBNCAWYBOG-CVEARBPZSA-N	245.410	4.636	0	10	BJAE	
CCCC(CCC)[C@H](O)c1cccc(C2CC2)c1	2028549101	KARAXEIDFZVZMR-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)c1ccccc1C1CC1	2028558777	ZTUUNPMVEUNTIO-OAHLLOKOSA-N	246.394	4.670	0	10	BJAE	
CC(C)c1ccccc1OCC1CCC=CCC1	2028869061	CUEJKACRRZLJNH-UHFFFAOYSA-N	244.378	4.935	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)CC2CCC=CCC2)CC1	2028872375	FFDXWQSOELMVME-XIRDDKMYSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)[C@H](C)C1CCC1	2028872824	NDMMBTISGFXVKP-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(N)[C@H](C)CCC(C)C)c1	2029822324	AZKVETWVJXGHBR-WBVHZDCISA-N	247.426	4.550	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)[C@]12CCCC[C@H]1CCC2	2031856085	VFVPGIPJPOMSNH-VYDXJSESSA-N	246.394	4.662	0	10	BJAE	
CCC[C@@H](NC1CC(C2CCCC2)C1)C1CCC1	2033765376	VZFPFRQZAGFFCL-OFLPRAFFSA-N	249.442	4.514	0	10	BJAE	
O[C@@]1(C2=CCCC2)CCCC[C@@H]1C1CCCCC1	2033826235	PPYRRHWWZSBJIM-IAGOWNOFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(C[C@@H]2C=CCCC2)C1	2035587732	MIKWQGVZYAIVGB-CQSZACIVSA-N	249.442	4.667	0	10	BJAE	
C1CCCCC(NC[C@@H]2CC[C@@H]3C[C@H]23)CCCC1	2035888266	SATMCOXGPSNDPF-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](NC)c1cccc(C2CC2)c1	2036356038	OSLFMSMJYLAMGD-DCGLDWPTSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1	2037134700	ZFQRNWWOUDYQRF-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@H]2CC(=O)C23CCCCCC3)CCCCC1	2039849444	LLLOAMPBAMXIQH-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C1CCC1)C1(C)CC=CC1	2042027473	NILKGOAMFRBRSL-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C1=CCCCCC1	2042743140	RUNARXHPXDUMJT-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
O[C@@H](CCC1CCC1)c1cccc(C2CCC2)c1	2042746344	DJFPQFQBVFTPSA-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CCCN[C@H](C)c1ccc(C)c([C@@H]2CC2(C)C)c1	2043819660	AKIPGALREFZMCE-CJNGLKHVSA-N	245.410	4.569	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC=CCCC1)CC1(C)CC1	2045324710	YGKLOBYBRLHAJP-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C(=O)c2ccc(C3CC3)cc2)CCC1	2045567533	HGPKPZQBFZBSCW-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCN[C@H](CCCC1CC1)CC1CCC=CCC1	2045798073	XSWIBSKEUYUUKL-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
NC1(C[C@@H]2CC23CCCCC3)CCCCCCC1	2047016078	MOYWFFOCCPXADF-HNNXBMFYSA-N	249.442	4.789	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CCCC2)C1(CC)CC1	2047024260	SPTXOXVAHJZHRL-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CCC(C(=O)c2ccoc2)CC1	2049635644	ZGILXTYWOLWLEU-UHFFFAOYSA-N	248.366	4.849	0	10	BJAE	
C1CCCCC(N[C@H]2CCC23CCCC3)CCC1	2049676502	USHCDPFAUXYBGD-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CC1(C)CCC(N)(CC2CCC3(CC2)CC3)CC1	2049860621	SJGKRWFSABWUJC-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@]1(C)C=CCCC1	2049998822	XYYDPPNEAYTINR-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@](CNC(C)(C)C)(C2CC=CC2)C1	2053692910	AMCFRMKZRAKJQQ-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@@](O)(C[C@H]2CCC=CCCC2)CCC1	2055606764	FTHZEFNWLCGYQU-IRXDYDNUSA-N	248.410	4.764	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C=C2CCCCC2)cc1	2056863788	VDONLBWXNAOWSH-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C1(C2CC2)CCCC1	2057600647	DTDIEMBPIGKHJI-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CC12CCCCC2	2059254067	WWEJCQQPEVLMBF-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@]1(CNC(C)C)CCCC12CC2	2059258601	ICQSKSRJXUJSIQ-LAQIPUCWSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(Cl)c(SC)c(C(F)F)c1	2060055904	GOUHPKXLIGKCMK-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C)CC1)C1CCCCCC1	2060926724	SRVLCFZDHKAKSY-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H](N)C(C)(C)C2CC2)CC1	2061088409	MRAWBIDUFIYZHM-UKRRQHHQSA-N	249.442	4.523	0	10	BJAE	
CC1CC(C[C@H](N)C2=CC[C@@H](C(C)(C)C)CC2)C1	2061099220	NRYBPHVMNISOEP-GMEATFMZSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)C1(C(C)C)CC1	2061142694	FHGSEILQNMOHQJ-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CC(=C2CC2)C1)C(C)(CC)CC	2061650431	JQJCVBKSHUOEAM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
O[C@H](CC1CC(=C2CCC2)C1)C1CCCCCC1	2061683376	XAAJNJFZIROTBR-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1N[C@H]1CCCCCC12CC2	2062015722	ADXKITLGEDSBGH-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC=CCCCN[C@H](CCCC)c1ccccc1	2062371368	CWKZALAMFWRKRA-QGZVFWFLSA-N	245.410	4.864	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2C[C@@H]3CCC[C@H]3C2)C1	2063490164	IUFLUCCLXVAJPT-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC1CC2(C1)CC2(C)C	2064117951	LTOMBVGJPAHYET-KTAKPFMOSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(N[C@H](C)C2(C)CCCC2)ccc1C	2067510469	WIEMYPIUWCUDLH-CQSZACIVSA-N	245.410	4.938	0	10	BJAE	
CC1([C@@](C)(N)CC2[C@H]3CCCCC[C@H]23)CCCC1	2067531015	VZAXTGOGRSFWRL-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C[C@@H]1CC12CCC2	2069207728	LHBWQSXQRBJUCG-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)C1(CC2CC2)CC1	2069511979	XCJPUZBJQCKZNU-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](NCC[C@H]1C[C@@H]1C)c1ccccc1	2071479917	RZRYCLHMAUBOLT-XIRDDKMYSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CC)C1=CC[C@@H](C)CC1	2071509028	ZXNLJSGTIHZELU-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
CC1(CN[C@@H]2CC[C@@H]2C2CC2)CCCCCCC1	2071792865	DCKNNBRLNKJKEK-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)C(C)=C(C)C	2072421296	GCXZYPJCESCMDD-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(N)CCC[C@H](C3CC3)C2)CC1	2072794614	WHGOZMAHZNFPJT-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@]1(C)CCC(C)(C)C1)[C@@]12CCCC[C@@H]1C2	2073067571	IJNHBXNQRJFPNX-ABFRBSLYSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](N)(C[C@@]12CCCC[C@@H]1C2)C1CCCC1	2074026067	RVJHCAVLWSPMIW-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@@H]1CCC12CCCC2	2074794165	FZNXYVZMRYSFEZ-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
CCCC[C@@H](CC)N(C)CC=Cc1ccccc1	2074920096	BNZPPYFDKKCGSN-QGZVFWFLSA-N	245.410	4.600	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2C[C@H]2C2CCCCC2)C1	2079532054	SXQOQDFJZRCQTQ-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@@H]2CC=CCC2)c1	2082954799	WCENQWWZAGGAFF-OAHLLOKOSA-N	242.362	4.541	0	10	BJAE	
CC1(C)CC(C=C2C[C@H](N)C2(C)C)CC(C)(C)C1	2082988310	UXPGTIMZJFFOOS-AWEZNQCLSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1ccc(CC)cc1	2086045215	UUHKTNVCQBMXKR-RHSMWYFYSA-N	248.410	4.889	0	10	BJAE	
CC(C)(CC/C=C/c1ccccc1)C(F)F	2210661517	AIYORLBHFDRPSG-UXBLZVDNSA-N	224.294	4.771	0	10	BJAE	
CCC[C@H](C)CC(=O)c1sc(C)c(C)c1C	2211704714	MRDDGSSVGGZMKW-VIFPVBQESA-N	238.396	4.682	0	10	BJAE	
Cc1cn(CCCCCCC2CC2)c(C)c1C	2213575262	DKDYAVWMMDVRJZ-UHFFFAOYSA-N	233.399	4.774	0	10	BJAE	
CN[C@@H](CCCCC1CC1)[C@@H](C)CC(C)(C)C	2214565543	NRERQIMKVCTOCI-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218304201	MVVWORTYYGVKIW-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
C(CCCC1CC1)CCN[C@H](C1CCC1)C1CC1	2218718749	QUVLKRGFVKDCEH-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C[C@H]1CC12CC2	2220032018	ZZUZJOMCJNTHDC-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](CNC(C)C)(C2CC(C)(C)C2)CC1	2221660809	JZKLPUUVSIIBRA-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	2222908952	FAPGIEJIPRLDGY-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1	2222935202	XLJPRIGCCCAWAA-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC1(CC2(CNC3CCC3)CCCC2)CCCC1	2223567428	XOVBKNQQGBMJHV-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCCCC[C@](C)(O)c1ccc2occc2c1	2224128959	AKAAPAOCMWXHDB-INIZCTEOSA-N	246.350	4.611	0	10	BJAE	
CCCC[C@](C)(O)CCCCC[C@@H]1C[C@H]1C	2243908844	SFBZSZTVRSNCLB-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
C=CC=CCCC1C2CC3CC(C2)CC1C3	2245912479	ALCKALUSDILTMQ-UHFFFAOYSA-N	216.368	4.581	0	10	BJAE	
CC1CC(C)(CC(=O)[C@H]2CCC[C@@H](C)CC2)C1	2246527925	SLHSCNJXSXTDHW-RXFTYZNJSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)CCC2(C)CC2)C1	2246656131	JJRXSNZWNLNJDQ-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CCC1(C)C)NCCC	2247430002	BANVRMOADVCADG-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccc2sccc2c1	2250368765	DWPWTQGGQQLNBU-XHDPSFHLSA-N	247.407	4.727	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)[C@H]1CC1(C)C	2250475904	MOYPETJTGYTGSP-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@]1(C)C[C@@H]1C	2250485021	JFCHGJUNAAARGQ-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@@]12CCCC[C@H]1CC2	2251153615	KWMNYYQAEMBWTM-BBRMVZONSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@]12CCC[C@@H]1CC2	2251175780	ODHOWKGCGTZFGN-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](CC2CCCC2)C1=O	2251713037	QDVRNWQJYKTQEE-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(CC(=O)C[C@H]2CCCCC23CC3)C1	2253831292	IEGZZKYVWWYLIR-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)[C@](N)(CC[C@H]2CCC[C@@H](C)C2)CCC1	2253918146	OVXINORUXRPUMZ-KBRIMQKVSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1C[C@H]1CCCCn1ccc2cc(F)ccc21	2254520642	IRGZXBSPDMJKLJ-QWHCGFSZSA-N	245.341	4.607	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CC[C@@H]1CCCC12CC2	2255279083	UUIMRYXGJDUVJF-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)[C@@H]1CCC2(CC2)C1	2257299862	COZYCMAHZGNXOP-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)cc(NCCCCC[C@@H]2C[C@H]2C)c1	2257322099	LIWIVXUPYQEDKE-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
Cc1ccc(F)cc1NCCCCC[C@H]1C[C@H]1C	2257343044	VHISORGMQKNFTH-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c1	2257879830	OHFMKYDHOXNKES-XJKCOSOUSA-N	243.394	4.585	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC(C)(C)c1ccccc1	2259438595	QMBBRNJHUZCEIU-CQSZACIVSA-N	246.394	4.750	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCN[C@H]1C1CC1	2259611541	BGAOHNGFUMDZJF-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N)(C[C@]23CCC[C@H]2CC3)C1	2260667344	CPDOJKWZHBIKOL-VUROTCPHSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@@H](CN[C@H](C)CCCC(C)C)CC1	2298841769	LJFZJMSQYYYQOT-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CC(C)(C)CC[C@@H]1C	2300684289	SEHIJOMXNADEQI-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)C1(CC)CC1	2300684577	WCSYQDRWTGNZTA-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@@H](C)C1CCCCC1	2300878832	CAQQNGVUZSVZNS-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@H](CCC1=CCCCC1)NC	2301942714	RZJXLMNDHMWMLL-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)CCCC1=CCCCC1	2302346476	HKHUCSUWSXXBOG-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCN[C@H](CCCCC1CC1)CC1(C)CCC1	2302571707	MXHJDMSHAXRWST-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C[C@H]1CCC(C)(C)C1	2302715126	CSOQGIYCQJEXHD-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCCCCCC2=O)C1	2302762612	DULBSBKOICIGRQ-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H](C)c2ccsc2)CC1	2303474104	ZNFHPAXSXGRQCZ-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@@H]2C[C@@H]3CCCC[C@H]32)n1	2307694112	MXILQCXEVFOLHJ-RXGFPQBGSA-N	247.407	4.560	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1ccc(C)c(C)c1	2307844573	OEHWPBOQYRDXHW-ZBFHGGJFSA-N	234.383	4.553	0	10	BJAE	
CCC[C@@](N)(CC[C@@]12CCC[C@@H]1C2)[C@H]1CC1(C)C	2310383980	ZINXORGYTMCECH-YALNPMBYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1([C@@H](N)CC[C@@]23CCC[C@@H]2C3)CCC1	2310986619	WHCYHSZXCJDNGX-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@@]12CCC[C@@H]1CC2	2313343784	IWFZPIRLHOXGKN-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@@]12CCC[C@@H]1CC2	2313345115	DEEZRPNBWIQXDU-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H]1CCNc2ccc(F)cc21	2313621620	AFBPEHKUWBFTSS-FZMZJTMJSA-N	247.357	4.551	0	10	BJAE	
CCC(C)=CCN(C)C1CC2(CCCCCC2)C1	2316513252	PJUPCTNEVAHNGL-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317190661	VIEBGMMBVVIPKX-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@]12CCC[C@H]1C2	2317934713	UZHPUFPYLOZJDW-BLLLJJGKSA-N	247.357	4.551	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)[C@@H](C)[C@H](C)C(C)C	2317987249	WVECAPLUBLGWBQ-VYDXJSESSA-N	247.426	4.574	0	10	BJAE	
C[C@@]1([C@H](N)CCCC2=CCCCC2)CC=CCC1	2318573995	XMRXJOXVPQSYKB-IAGOWNOFSA-N	247.426	4.731	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)C[C@@]12CCC[C@@H]1C2	2318580389	YPMFLNRFQCTZSA-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1N[C@H]1CCCC2(CCC2)C1	2320140384	ZOHQFYYQDNVQBT-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@@](N)(CC2CCC3(CC2)CC3)CC1	2320266286	RVHMZBLIARXLPZ-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@@]1(N)CC12CCCCC2	2320323693	ZUOQNHDRCRBBQG-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2C[C@@H](C)CC[C@H]2CN)CC1	2320389563	BEZFJDVQXNWJRW-IEAZIUSSSA-N	249.442	4.524	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)CC(C)(C)C2CC2)CC1	2320395151	UYEAMMYWFJSZND-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CCCC(C)=C2C)CC1	2320414023	PYTPNVJUGOSBOX-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@@H]2CC23CCCCC3)C1	2321605105	IZGNVTDMLXGJOL-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@@H]2CC[C@@H](C)C2)c1	2327681874	SUUHBNGVPSCYPX-TZMCWYRMSA-N	244.378	4.737	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](C)CCNC(C)C)c1	2327789442	KBTTUVQRNRVYQZ-OAHLLOKOSA-N	247.426	4.610	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cc(C)cc(C)c2)cc1	20551172	YFCXLUNTWAEKFL-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
C[C@H](NC1CCCC1)c1ccc(C(C)(C)C)cc1	21795111	NBLSNLHIJWJYTG-ZDUSSCGKSA-N	245.410	4.577	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)c1ccc(C(C)C)cc1	36820128	AUSUVBACXIBVNF-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1cccc(Cl)c1	70558319	CPGGPRAAJXSKLN-SMDDNHRTSA-N	237.774	4.721	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2CCC(C)CC2)C1	71154694	MBSCDKJLPMBYDO-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCCC(C)(C)C2)cc1	79977666	AEMIOKVDVDURGN-ZBFHGGJFSA-N	245.410	4.614	0	10	BJAE	
Cc1c(Cl)ccc2c(Cl)cc(Cl)nc12	82788820	XDDAAIDZZRUCSY-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCCC[C@@H](C)n1c(=S)[nH]c2ccc(C)cc21	94660240	DIJNLVOBPYRHKI-LLVKDONJSA-N	248.395	4.759	0	10	BJAE	
CCCCc1ccc([C@H](N)C2(C)CCCC2)cc1	94899672	FYMDDHGACKTHIR-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CC1=CC[C@H]2C[C@H]1[C@H](c1ccccc1)OC2(C)C	100648944	HYCLRIZMLWDFJW-XHSDSOJGSA-N	242.362	4.509	0	10	BJAE	
Cc1ccc(C(=O)C[C@H](C)C(C)(C)C)cc1C	111646455	QMQRTDUIIYUABK-ZDUSSCGKSA-N	232.367	4.558	0	10	BJAE	
CC1(C)CC[C@H](NC2CCC3(CCCC3)CC2)C1	129501480	VJUPYDANCGGWHG-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)[C@H](NC)c1cccc(CC(C)C)c1	131814163	UOLXPILLYXNVHN-KRWDZBQOSA-N	247.426	4.582	0	10	BJAE	
CCc1ccc(C/C=C/c2ccccc2)cc1	142107057	SRQYSRDGAYCLHT-RMKNXTFCSA-N	222.331	4.505	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(O)CC1CCCCC1	156151687	SPRKJWPQSDVWBR-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCc1ccccc1C(=O)[C@H]1CCCC[C@@H]1CC	165745572	AIKDKGCNKBGOLF-HOCLYGCPSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CCC(CN)(CC2CCCCC2)CC1	203529723	VGCYGYOBDMBOEX-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCCCC[C@H](C)NC/C=C\c1ccccc1	214934088	QBTDRKKELANOLK-DNXIFWLFSA-N	245.410	4.648	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@H]1CCCCC1(C)C	226859104	SXSDCDOFPVHCJR-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C(CC)CC	228692966	MGYDHZTVLCNVMS-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@H]1CNc2ccc(C(C)(C)C)cc21	232927488	RUPVMGLOMRBDGX-OAHLLOKOSA-N	245.410	4.929	0	10	BJAE	
C[C@@H]1CCC[C@@H]1c1c[nH]c2c(Cl)cccc12	235257894	GXCSIDYDTQZNBO-ZJUUUORDSA-N	233.742	4.725	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)c1ccccc1Cl	236306281	AXVCDQDAITZHEH-HNNXBMFYSA-N	249.785	4.620	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2	252897097	CRNCLFQUKQASJN-AEGPPILISA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@H](C[C@H](C)C(C)(C)C)NCC	253034125	HMCCQAWTOBILSF-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](C[C@@H](O)CCCC(C)(C)C)C(C)(C)C	300797880	DIOUPBMUSUYTCZ-STQMWFEESA-N	228.420	4.636	0	10	BJAE	
CCc1ccsc1[C@H](O)CCCC(C)(C)C	300848203	KPJRONANCIRNAH-GFCCVEGCSA-N	240.412	4.560	0	10	BJAE	
CN[C@H](c1ccccc1)[C@H](C)CCC1CCCC1	302247616	JHEJMGAKDACLQP-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
CCC(CC)(CC)NCC1CCCCCCC1	302340915	UXIWALKSUVKVCT-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@H](Nc1cccc(C)c1Cl)C1CC1	304362890	SNVPQRJLYGCUFQ-GFCCVEGCSA-N	237.774	4.639	0	10	BJAE	
CCC[C@H](CCCC(C)(C)C)CNCC(C)C	305900129	AQVYGOCWDMQMER-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](O)CCC1CCCC1	305905374	CNLJSYZHLUHNSQ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
NC[C@@H]1CCCCC[C@H]1CCC1CCCCC1	305937101	KWEVRQNOGKXUOX-HOTGVXAUSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CC(C)C)C(C)(C)C	309991618	RCPDUNBGSPKILB-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CN[C@@H](CC1CCC(C)(C)CC1)CC(C)(C)C	310146312	NZMURAZSGMWOQA-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@]1(CC2CCC(C)CC2)CCCCCN1	310382895	HFESAFLCYQBXAW-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
CC(C)(F)C(=O)c1ccc(C2CCCCC2)cc1	310946640	XSXHBVMYPWITNO-UHFFFAOYSA-N	248.341	4.665	0	10	BJAE	
CCNC[C@]1(CCC2=CCCCC2)CCC[C@@H]1C	317791975	VARKQZGUSSVMLY-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CC(C)CC[C@@]1(CNC(C)C)CCCC[C@H]1C	318012610	DUJQNJIQSYWHOF-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCCNCC1(CCC2=CCCCC2)CCCC1	318626945	PXZBTNBGMICAJY-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CCCNC[C@]1(CCC(C)C)CCCC[C@H]1C	319208933	RNIIEGVYNCTLPR-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@](O)(CC1CCC(C)CC1)C1CCC1	322336777	AMFROSDIJSAQDB-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CC[C@H](NCCCCCCC(C)C)C1CCC1	322514957	HNMRFFBOVDDZJF-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCC/C=C\c1ccccc1	323790627	DKRABCMGBLKELB-VGQMVEDTSA-N	245.410	4.504	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)CC1(C)CCCC1	381427617	FLOFSOGYSLUNRL-CVEARBPZSA-N	246.394	4.512	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2CCC(C)CC2)C1	383604664	RDRGVANJXIEQEF-GRAKBVBRSA-N	237.431	4.501	0	10	BJAE	
CCc1cc(C(F)F)c2sc(F)cc2c1	396225526	WWCPOAVKCJHCLI-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cc2c(C(F)F)cc(S)cc2s1	396235243	FVHGQMIQFADIHA-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1cc2sc(C(F)F)cc2cc1S	396256811	YGUHOSIOLVTQFZ-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1c(C(F)(F)F)c(F)cc2sccc12	396303245	SZNROWLLSHCNOP-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)CCC2CC2)cc1C	398033975	LTGLXZWIZFYLAH-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	403454756	GVYQJWDIFZCWQO-IZTSSTLKSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(OCCC(C)(C)C2CC2)cc1C	405948989	DSLUHUBIDXPJFS-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CC(C)(C[C@@H]1CCCCCC1=O)c1ccccc1	686741845	GXUFHZBZVKWHCA-AWEZNQCLSA-N	244.378	4.504	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccc(C3CC3)cc2)CC1	690101526	CWFIDVLPHOCNQD-CJNGLKHVSA-N	243.394	4.945	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1Nc1cccc(C2CC2)c1	691089987	OSLCIGYAODYQTJ-CXAGYDPISA-N	243.394	4.945	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@@H](C)C2CCC2)c1	692796592	QWGAEPIVLYBZCL-ZDUSSCGKSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCC(C)(C)CC)CC1	696678949	PLWZNMJNIXHHLK-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC1(Nc2cc(C(C)(C)C)ccn2)CCCC1	699610275	RWBMYMYVFVJPNA-UHFFFAOYSA-N	246.398	4.514	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCCC[C@@H]1C(C)(C)C	701046278	BXGYBZPRCNQZLE-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)(C)C)C(C)(C)CC	701132508	POFDOSXAJGQXMP-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCNC[C@H]1CCCCC[C@H]1C(C)(CC)CC	701144963	JLUZOVPYOFPNCY-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C[C@@H](CC)CC(F)F)NCCC	701561609	NQOBCGGQPXEETB-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)C1CCCCCCC1	704800375	YJHBGCSAVIMQAB-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C)NCC[C@H]1CC=CCC1	706961160	QBBMPRFHGUVTHU-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@H](C)CC(C)C	709147440	YRVJHSXUZVOQAZ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)(C)C)CC(C)(C)C	710791364	AUQZAZUQXPIIFH-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC(C)NC[C@@H](CC(C)(C)C)C1CCCCC1	713173487	HYXDIWMBHACEBR-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@@H]1C[C@H]1CC(C)C	713667937	IRPCVOJKMILIFV-BIAFVLJASA-N	249.442	4.559	0	10	BJAE	
CC(C)CCC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	714425895	UNWBDSWHEAQQIK-RBSFLKMASA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](NCCCCC1CC1)c1ccccc1	716399157	RAZYLZWHWJQLND-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CSc1ccc(CCC(C)=C(C)C)cc1	718722411	MRNVRTVRHRHXKX-UHFFFAOYSA-N	220.381	4.697	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCCCCC2(C)C)o1	719260892	OAKHAUQWEMQJKB-HIFRSBDPSA-N	249.398	4.598	0	10	BJAE	
CC[C@](O)(CCC(C)(C)C)CC1CCCCC1	720978741	VCYXSPLLWPWHMN-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)c1cc2cccc(F)c2nc1Cl	722210267	SVAPJJRSMPYCQE-QMMMGPOBSA-N	237.705	4.541	0	10	BJAE	
CC(C)CCC[C@]1(O)CC[C@@H]2CCCC[C@@H]2C1	723644130	BNSRKCHKDLGNCN-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1NCCC1CC=CC1	724190713	AMBIVSVTSIIOJY-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(NC2CCCCCCC2)C1	1659312985	OISUODBZKXRGJE-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CCN(C)[C@@H](C)CC(C)(C)C	1900710669	YLHXDDJJPKILAL-ZDUSSCGKSA-N	227.436	4.569	0	10	BJAE	
CCC(C)=CCNc1ccc(Cl)cc1CC	1900834101	VVNJRPISJYAQPQ-UHFFFAOYSA-N	237.774	4.671	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC=C(C)CC)NCC	1900884594	WUXDTVZQNGVIFJ-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1CCCC1(C)C	1905301320	KKVYZJSEOGBGIL-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C1CC2(CCCCC2)C1	1912604955	QSFSIHMFJWQPHU-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CNC2CC3(CCCCC3)C2)C1	1912707355	CVBAWGYWSVBWJS-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCCCC[C@H]1CCCC(F)F	1913423987	OWCMTXRPTBROPC-LBPRGKRZSA-N	246.341	4.742	0	10	BJAE	
C[C@H](C[C@@]1(CNC2CC2)C=CCCC1)C(C)(C)C	1916564302	OFONSGHARYXGTR-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@](O)(CC)CCCC	1919522261	HORTXMZBVJWJAF-CABCVRRESA-N	228.420	4.924	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)[C@]12CCCC[C@H]1CCC2	1921418990	JQYASCKQIZKYFU-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H]2CCCC23CCC3)C1	1921497081	LWUFKFWBOMNIIG-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CNC[C@]1(CC2CCCCC2)CCCC12CCC2	1921611082	RAVLWCUEKMTIDX-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@H](C)C1CCCC1	1924129922	JQZQWCDHGPJSQP-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCC[C@H]1C=CCCCC1)c1ccccc1	1925946046	PXCXFDKXBIIFFG-RDJZCZTQSA-N	243.394	4.603	0	10	BJAE	
CC[C@@](N)(CCCCCC1CC1)C(C)(C)C	1936430992	YHSQSXRTLIBACH-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CCOc1ccc(C)cc1Cl	1936612381	GPRHOQVBCPMZGU-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
CC1CC(CC(=O)c2csc3ccccc23)C1	1940678996	VZCYRRSYWHQMIO-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CCC[C@H]1CC1(C)C	1940881057	KQBMJSHRZHEZIM-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NCC)C1CCCCC1	1941264678	SOTDJENXLZBCFP-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(N)(CCCCCC2CC2)CC1	1941592488	UUYTZVWWJFRSCA-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
Cc1cccc(Cl)c1NC1CC(C2CCC2)C1	1942146281	RYFUGFWFHPQIPK-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(O)C(C(C)C)C(C)C	1942659668	OGXNQJZYGIEZAN-GOEBONIOSA-N	242.447	4.738	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@H](C)CCC(C)C	1942661836	WYUPEUDKBGDZSD-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
Cc1cccc(NC2CCC3(CCC3)CC2)c1	1944602977	XQUGTKHJNVFNDF-UHFFFAOYSA-N	229.367	4.520	0	10	BJAE	
CCN[C@H](CC(C)C)C(C)(C)C1CCCCC1	1944630556	DVFPPNWSVCDQPY-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2CCC[C@@H]2C)cc1	1944783492	FZHKUQAPCAGDSY-DZGCQCFKSA-N	232.367	4.625	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CCC[C@@H](C(C)C)CC1	1949088682	ZRLRAWJSGLVHLU-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
Cc1cc([C@H](N)C[C@@H]2C=CCCCC2)c(C)s1	1949125328	VQYCAVOBRIZUOJ-UKRRQHHQSA-N	249.423	4.501	0	10	BJAE	
CC(=CBr)[C@@H]1CCCC(C)(C)C1	1953420605	SZOSXHFBLLVDNR-SNVBAGLBSA-N	231.177	4.502	0	10	BJAE	
CC(C)CC[C@@H](C)N1CC[C@@H](CC(C)(C)C)C1	1962912744	KFVXWMVKMCXVIV-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCCC1CCC(N(C)C[C@H]2C=CCCC2)CC1	1966319445	SJTGJOZRKPANQC-CGZBRXJRSA-N	249.442	4.633	0	10	BJAE	
CCc1cccc(NC2CC(CC)(CC)C2)c1	1968331495	HIFMTPYPKZUNFX-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CCC1CCC(CNc2ccc(F)cc2C)CC1	1968361844	SBZCDRVOODXKEN-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCC2(CCC2)C1)C1CCC1	1969867781	ZKOAUINWVGGEQA-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCCCN(C[C@@H](C)C(C)C)C1CCCCC1	1970379213	LJDQYQQQNFNWCS-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC[C@H](N[C@H](C)C1CC2(CCC2)C1)C1CCCC1	1970935237	VMYOOWVZRCFTCU-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
CC(C)(CCNC1CC2(CCCCC2)C1)C1CC1	1972636294	BYUXJNSUEHXPBS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(CC(=O)C(CC)(CC)CC)C1	1983361175	LKIDLKWHLYAUIY-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C1CCCCCC1	1986938566	OKXGCHZQGWXEEL-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)c2cccs2)CC1	1989840194	XCIPDUGALOBELP-HAQNSBGRSA-N	236.380	4.537	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@H](C)CC(C)(C)C	1990128132	VUHFMFBSJLKWES-KGLIPLIRSA-N	227.436	4.569	0	10	BJAE	
CCCCC[C@@](C)(O)CCC1=CCCCC1	1991142965	JZTVNUKNWWZFDO-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)Cc1coc2ccc(SC)cc12	1995463094	FUFDHEWNVUEGBE-SNVBAGLBSA-N	234.364	4.743	0	10	BJAE	
CCCSc1ccccc1NCCC1CCC1	1996573416	LRKHTEVOQXPLEX-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CC(C)CC(=O)[C@@H]1CCCC2(CCCCC2)C1	1996648206	WVWUGTKSWKGEMP-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)NC[C@@H](C)CC[C@H]1CCC=CCCC1	1999994839	YRZSBTISEWRIOK-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@@H](N(C)CCC(C)(C)C)CC(C)(C)C1	2000896452	KREZFHPEIGSLHM-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCC1CCC(CNC(C)(C)C(C)(C)C)CC1	2002880572	AOVOZDNSFLAYRU-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1CCC([C@@H](CCC)NC)CC1	2003067884	YYTRMJBNRIGQNF-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](O)[C@@H](C)CC)CC1	2003100554	RHADXBDSXYLFMS-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CCCCCCC2=O)C1	2003115751	DACANWJUTKBYEG-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC1CCCCCC1	2004227130	KUVXKUBIBRFDAT-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)=C(C)[C@H]1N	2006896821	GOAAVBGHUIYZLS-ARFHVFGLSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C(C)(CC)CC)CC[C@@H]1C	2006945127	JFNLVBBOHQNFPL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CC(O)(C2=CCCCCCC2)C1	2009306671	PJOVLFADYPAGSU-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H]1CCC[C@@H](C)CC1	2009628120	LZNKWCDVQXLGAK-IDHNRJPVSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)CC(C)(C)C)C1	2009713525	BMXGNFKGVZLKBQ-NFOMZHRRSA-N	239.447	4.760	0	10	BJAE	
C1=C[C@H](Cc2cnc3sccc3c2)CCCC1	2010653700	DPRSEZFNAXLUAM-LBPRGKRZSA-N	243.375	4.585	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)C1=CCC(C)(C)CC1	2010727486	XPBFCJCEWAHQKL-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
C=C=CCC[C@H](C[C@@H](C)C(C)(C)C)NCCC	2010977526	QPQPKFKSHYJQCA-HUUCEWRRSA-N	237.431	4.548	0	10	BJAE	
Cc1cc(C)cc(CCC2CC(=C3CC3)C2)c1	2011088402	FGKYZJDJFUVXAU-UHFFFAOYSA-N	226.363	4.736	0	10	BJAE	
CC1(C)C[C@H](O)C[C@@H](CC2(C)CCCCC2)C1	2012059209	HZRWPDUWRFGMKQ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)NCC12CCCC1CCC2	2012150757	ABIYXGZEOASYCJ-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@@H]1CCCC[C@@H]1C	2013308596	HWQFOGWGISDTHA-ARFHVFGLSA-N	239.447	4.712	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@H](C)C1(C)CCCC1	2014387749	POEPCEORQBEADI-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2015235752	FDCFRAIZVDQAAA-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCCCN(CC(C(C)C)C(C)C)[C@@H](C)CC	2015336283	XHHFWOOLFKYDCM-HNNXBMFYSA-N	241.463	4.815	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2CCC[C@H](C)C2)CCC1	2015597123	ZZTIQYNIJBPVCB-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1(CC(C)C)CC1	2015753396	QYDZFGZFRPQYHC-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)C1(CC(C)C)CC1	2015760507	LHXOPLGVVRXDTI-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(C[C@H](O)CC2(C)CCCC2)CCC1	2017122302	ZDGATEGUBSRBBW-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC1(C(C)(C)C)CCC1)C(C)C	2017141032	MCKGHTQSRIULKQ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@H]1CCCC(C)(C)C1	2017478824	WBPDUGNTUJOOQH-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@H]1CC[C@H](C)CC1	2017649999	BVDLKURWHZRNPI-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(C[C@@H](C[C@@H](C)CC)NC)CC1	2017720567	HODVPCBCPMHLRH-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@H]2CCCCC2=O)CC1	2017771855	YTBZGGKLXWWVIJ-YMAMQOFZSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H]1CCC12CCC2	2018129538	DBCWQJYGGVUKRG-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)C(C)(C)C(F)F	2018132582	ZSOJDWBHTQCDPR-NEPJUHHUSA-N	249.389	4.615	0	10	BJAE	
CCCC1(C[C@]2(O)C[C@@H](C)CC(C)(C)C2)CC1	2018977147	YRJJNBHGOXHMFM-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](CC2CCCC2)NCC)CC1	2019007221	YTFHFQBFBCFPID-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H]1CCC[C@@H](CC)C1	2020964263	GHOTZQOMJWGDKT-BMFZPTHFSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)[C@H]1C[C@@H]1CC	2022260927	XTOXTKFDPICWCR-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(F)ccc1NCCC(CC)CC	2023446343	LVWXVXGHFOFBDW-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)C2CCCCC2)C1	2024093303	AIDBCOITVCDAFH-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CC(C)(C)C1(C)C	2025017355	AUOXEFSKCIGUJW-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@H]1CCCC1(C)CC1	2027835878	FPIUICJBEUJUAX-ZFWWWQNUSA-N	243.394	4.630	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)c1cccc(C2CC2)c1	2028554125	HBXPLRIYKFNKJQ-DLBZAZTESA-N	245.410	4.636	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)c1ccoc1	2028645958	UJYVTTXWGGSRQM-MRXNPFEDSA-N	249.398	4.681	0	10	BJAE	
CC(C)CC[C@H](NC[C@@]1(C)C=CCCC1)C1CC1	2030351491	KROQIPGFJIHKCI-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CC1)[C@@]12CCCC[C@@H]1CCC2	2031755589	WZZISEBKJBWROL-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(CCC[C@H](N)[C@]23CCCC[C@@H]2CCC3)CC1	2031755931	ABZFUTKYPGSNQL-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCC1(C[C@H](N)C23CCC(CC2)C3(C)C)CCC1	2033435840	WPWYGXBOGQWHAH-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC1(N)CC(C2CCCCC2)C1	2033782759	NVFOZUNSEFPOKA-DFULUXCASA-N	249.442	4.501	0	10	BJAE	
CC1(C)C([C@@]2(N)CCCCC23CCCC3)C1(C)C	2034039646	MAWOWKLWNXTQKN-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C[C@@H]1C=CCCC1	2035589358	IFOVWZMBYMMSJC-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1NC1CCCCCCCCC1	2035887064	STOKYYLPINWJTK-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)c1cccc(C2CC2)c1	2036358525	PYZPYCQCMRYOBD-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@@H]2C[C@H]2C2CC2)CC1	2037128842	WLXJMBRAJQYMMN-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(N)CCCC[C@@H]1C1CC1	2037179369	LHVMAPWSXQKXJR-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(CC2CC3(CCC3)C2)C1	2038089843	LAIQWJJWGYVDMQ-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(CC2CC3(CCC3)C2)C1	2038089844	LAIQWJJWGYVDMQ-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
NCC[C@@H]1CCC[C@H]([C@H]2CCC3(CCCC3)C2)C1	2038879552	IAXGQVKMTBHQGM-JYJNAYRXSA-N	249.442	4.502	0	10	BJAE	
CC1(CN[C@@H]2CCCC3(CCCCC3)C2)CCC1	2040762332	BQCBEGYSHOSJMS-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](NC)C2=CCCCC2)CC1	2041379845	NWCRHFCUKZVVFS-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@H](N[C@@H]1[C@@H](C)[C@H]1C)c1ccccc1	2043300148	FXVSXSRTMWDKPK-WTTBNOFXSA-N	245.410	4.552	0	10	BJAE	
N[C@]1(C[C@@H]2CCC=CCCC2)CC12CCCCC2	2045317037	IRYIMWNAXKYFGD-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CCCC1(C(=O)C[C@@H](C)c2ccccc2)CCC1	2045565234	RYJFGPDKXAGVPL-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
CC1(C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)CCCCCC1	2045605616	IFZNUGMJLSOMBM-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)C1(C(C)C)CCC1	2045817998	JGLWGEMPCMJBCZ-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(N(C)C2C[C@@H](C)C[C@H](C)C2)cc1	2046567654	GCFBPZKZSJUAPF-KBPBESRZSA-N	245.410	4.510	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@H]1CCCC2(CC2)C1	2049951150	MHJRBESWMPXCSG-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C[C@H](C)C1CCCCC1)[C@]1(C)C=CCC1	2050006681	ARYGIKYXOPIWMU-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@]1(C)C=CCC1	2050009248	XRVWWZNVIYDEMX-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CCCC1CCC(C=CBr)CC1	2052390018	UBZWTPZJGSQWHY-UHFFFAOYSA-N	231.177	4.502	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)[C@H]2CCCCC23CCC3)C1	2053359365	MZIQAGWLUSLSAG-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CNC[C@@]1(CC2(C)CCCC2)CCCCC12CC2	2053360060	UNXZXOLENPPPRJ-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)[C@H]1CCCCC12CC2	2053367959	QNPSDENNYXWPBF-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CC1(CC[C@@H](N)c2cccc(C(C)(C)C)c2)CC1	2059177439	JMNCPBJFMFXHLS-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1ccccc1C1CCC1	2059221913	TWZWVULANIFANS-RCAFFNEUSA-N	244.378	4.734	0	10	BJAE	
CCCN[C@H](C[C@H]1CC1(C)C)C1=CC[C@@H](C)CC1	2060925282	JXYXKOKNPCQPOJ-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)[C@@]1(C)CC1(C)C	2061081440	ONZRAZBABNVRBD-YSVLISHTSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](N)(C1=CC[C@@H](CC)CC1)[C@@H]1CC1(C)C	2061113061	LHPXVZYGIULJOA-UNEWFSDZSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C(C[C@@H](N)c2cccc(C)c2)CC1	2061142281	BOHNGAVDWCVNRZ-RHSMWYFYSA-N	243.394	4.521	0	10	BJAE	
CC(C)[C@@H]1NCCC12CCC1(CCCCC1)CC2	2061513079	PBVVISNLPRJWNY-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC(CCC(=O)C3CCCC3)C2)C1	2063209445	UIWGJPWOQJGKRR-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)C=CCC2(CCC2)C1	2063635800	MFZIKFNYAQQXBZ-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H]1CCC[C@@H]1CC12CCC(CC1)CC2	2065336032	WKGFPCGCYSOFFY-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc2c(c1)CCC2	2065990427	NODVLBMILKKNQC-INIZCTEOSA-N	245.410	4.802	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cc(C)c(N)cc1C	2066082826	XYNDEHZIGNEMCI-AWEZNQCLSA-N	248.414	4.512	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]([C@H]2CCC3(CCCC3)C2)N1	2066374679	BUSYKICYLZUEOK-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@H]1CC12CCC2	2069172175	QPWQOIRABNVXAV-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)C2(CC(C)C)CC2)CC1	2069520183	UZRVASTXJGZIJK-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
COCc1cccc(CC[C@@H]2C=CCCCC2)c1	2071399315	HQHZPLGBYWOIFL-OAHLLOKOSA-N	244.378	4.512	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CC1(C(C)C)CCC1	2071918380	CNXIJQXVVAYFHK-GDBMZVCRSA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)C1([C@H](N)CCC2=CCCCC2)CCC1	2071937259	YWGNDACZEKDULY-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CC[C@@H]3CCC[C@@H]32)CCC1	2071942058	ZYFPOKZWDDVGFY-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@@]2(CN)CCCCC23CC3)CCC1	2071946526	QSLVFSZGYFAMGP-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCC[C@@H]3CC[C@H]32)CC1	2072801660	PTIHNAJTWOESTM-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@@]2(C)CCC(C)(C)C2)n1	2073071096	BYLFIDNHRGVXPN-INIZCTEOSA-N	246.398	4.586	0	10	BJAE	
CC[C@](N)(C[C@]12CCCC[C@H]1C2)C1CCCCC1	2074023250	BHDUEDGWXAYEEQ-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@@]12CCCC[C@H]1C2	2074038720	QERVFZWXHIUISD-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCCCN([C@H]2C=CCCCCC2)C1	2074795845	AMXDRRXARQBHBB-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
CN(CCC1CCCCC1)[C@H]1CCCC12CCC2	2074896942	SFZBFIDXUXESEM-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H]2CCCC(C)(C)[C@H]2N)CC1	2076394694	CZLFUXNSVQMLBF-KBMXLJTQSA-N	249.442	4.523	0	10	BJAE	
CCCN(CC1CC(=C2CC2)C1)C1CCCCC1	2076590503	ZQJGOWVSRORLHI-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1C[C@H]1C1CCC1	2079443442	OPLHUOCZIZBLNW-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1C[C@@H]1c1ccccc1	2079551768	AHLRSZIPJIMQOL-ZACQAIPSSA-N	246.394	4.512	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@@H]1CCCCC12CCC2	2079852136	OUWZWXMUEWGPGD-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@H]1CC[C@H](CC)CC1	2080252516	PCMFHDNHLHZHPP-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(-c2cc(Cl)cs2)cc1C	2080277577	ZDDFAQPKXYTBPD-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CCC[C@@H](CC)N(C)Cc1cc(C)cc(C)c1C	2082948335	GJXXUPMKTRFLHC-QGZVFWFLSA-N	247.426	4.622	0	10	BJAE	
CC1(C)CC(C=C[C@H]2CCCCN2)CC(C)(C)C1	2082977048	WABBZOWBLNWGCH-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H]1CC(C)(C)C1(C)C	2084359173	SCIDBSQLJRZFBN-HIFRSBDPSA-N	249.442	4.680	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@@H](C(C)C)C1	2085239617	DYIFUGOORABQFO-HZPDHXFCSA-N	245.410	4.794	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1scc(C)c1C	2210578838	QQZZXVUNDRYEEQ-CYBMUJFWSA-N	239.428	4.581	0	10	BJAE	
CCC(CC)C[C@](C)(CC)CN[C@@H](C)CC	2212584054	LSYWEGTVSITZIV-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CC[C@](N)(CCCCCCC1CC1)[C@H]1C[C@@H]1C	2213573232	FNEDROPKOIBRKO-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H](C)N[C@H](CCCCCCC2CC2)C1	2213575756	IVYUIMXUZRZEMW-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C/C=C/c2ccccc2)ccc1Cl	2213822840	LYBWGILUZSDNIU-VMPITWQZSA-N	242.749	4.904	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](O)CC1CCCCCC1	2215255449	WCGCHHSALLLGFS-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C(C)(C)C1CCCC1	2215341624	MGVMWURDZQYCCU-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@@H](CC1(C)CC(C)(C)C1)NC	2215403316	YTLFFKZSEWZZCC-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C(CC)CC)[C@@]1(C)CC=C(C)CC1	2215819500	WFASWWFBSNKVFI-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@H]1CC(=O)CCCCCCCC1CC1	2216860641	BROJFNSVGVCNNM-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CNCCCC(C)=CCCCCCCC1CC1	2216878346	BXCHQEDCTNHUIE-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC[C@@](C)(CCCCCCCC1CC1)C(=O)O	2216880071	QHZVQLCLFQJHBA-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN(CCCC2(C)CC2)C1	2218145099	YLCSOQDROVADAR-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC[C@H]1CCC[C@]1(N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218361778	QKLFDLQRESUBTR-BIVLZKPYSA-N	249.442	4.501	0	10	BJAE	
C1=CC[C@@H](CCNCCCCCCC2CC2)CC1	2218714293	IGABKNTWAKYYKC-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC[C@](N)(CCCCC1CC1)c1cccc(C)c1	2220030016	HXUXWHONQLPMIF-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CC(C)CNCC1(CCCCC2CC2)CC=CC1	2220031581	WNLMHZBUXPVJQH-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@H]1CCCCC12CC2	2220046301	SFUJDFQKVGBZPM-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)CC2(C)CC(C)(C)C2)c1C	2221075622	IGNRBCIMXIBUNK-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC1(CCC(=O)CC2CCCC2)CC2(CCC2)C1	2221084902	ZFAYIBNDPAKBMB-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](c1c(C)cccc1C)[C@H](C)CC(C)(C)C	2222009559	SEVVSDDKYNPMIX-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C2=CCCCCC2)C1	2222255846	HGFKSIJZHQOLLB-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1c(C)cc(O)cc1C	2223336861	YSSTYBQCZGLFIO-SMDDNHRTSA-N	249.398	4.636	0	10	BJAE	
C=CC=CCCc1cc2sccc2s1	2242443230	ISKWAIXNAZIXGJ-UHFFFAOYSA-N	220.362	4.638	0	10	BJAE	
CCC[C@H](CC)CN[C@H](C)c1ccc(C)s1	2244800328	LWIBJUOVRHODNU-OLZOCXBDSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@H](C)CC(C)(C)C	2244800933	PDZYBGGEUOYKFL-HZSPNIEDSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC1(C)CC(C)C1	2246572299	KEOPZKJUWVQHFK-VQCLRJIVSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCCC[C@H]1C[C@H]1C	2247157137	BQAAHRJYGQBOJB-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)C1(C(C)(C)C)CCC1	2247384695	JAOZNORWYSRRIC-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)c1ccc(C2CCC2)s1	2250279354	RORDOKFVMFHKNX-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CC1(C)CC2(CCC2)C1	2250370980	KDIASDWWKGZSJQ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CNC[C@H]1CCCC(C)(C)C1	2250379637	DFAHVMPGBKCZFX-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCCC[C@@H]1O	2250467366	PVMDECUYHXJKRH-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C(C)C)[C@@H](C)N	2250526273	BRTCOFFGPPKFOO-ARFHVFGLSA-N	241.463	4.848	0	10	BJAE	
CCC[C@](N)(C[C@]12CCC[C@H]1CC2)C(C)(C)C	2251212916	UWPZPTHQGCKBFI-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CC[C@@H]2CCCCC23CC3)C1	2253839116	LWYLDIWNNADBII-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCC[C@]1(CC[C@@H]2CCCCC23CC3)CCCN1	2253879918	HESZFWYZIVYKFJ-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](CC[C@@H]2CCC[C@H](C)C2)CC1	2253993909	BCPXHNKMJVHBMK-STECZYCISA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC1(CC2CCC2)CC1	2257317590	YKBYLORNEOOUQJ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCCCN1C[C@@]12CCCC[C@H]1CC2	2260612211	GLWFDJRCSCYQAJ-IKGGRYGDSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(C[C@@]23CCCC[C@H]2CC3)C1	2260652835	URUBDAHIZHOJGE-TWMKSMIVSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@]12CCC[C@H]1CC2	2260674540	VNKZZIKLLXEXNM-QZWWFDLISA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)[C@@H](O)c1cccc(C2CCCC2)c1	2260733610	NZDBSCLQNVUFDF-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCNc2ccc(F)cc21	2261339512	QWAFWPRCSFXYFU-LBPRGKRZSA-N	249.373	4.941	0	10	BJAE	
CC(C)c1ccc(O[C@H](C)CC2CCC2)cc1	2298907763	JTBMFPWLMCJWIC-CYBMUJFWSA-N	232.367	4.768	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CCC[C@H](CC)C1	2300675758	HVDFIPNIOFBMQS-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](C)[C@@H]1CCC(CC)CC	2300682324	XVZOVWCIBLAVLL-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@]1(C)CC=CCC1	2300698070	WMMCIEOUJFQMIV-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC[C@H](C)[C@@H](C)CNCC(C)C	2300700383	LIBSRWZRYSZSRM-GJZGRUSLSA-N	241.463	4.721	0	10	BJAE	
CC(=CC[C@@H]1CCC(=O)[C@H]1C)CCCC(C)C	2300865885	SUBDJZVWWLMCBM-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H]1CCCC[C@H]1CC	2300876615	IDYVBTGDZVKRNM-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CCC(C)(C)C1	2300882951	ZDSRIGORTXYNAC-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]1CC[C@@H](CC2CCCCCC2)C1	2301142581	KMVJCXIDQUJUJR-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@](O)(CC2CCCCCC2)C1(C)C	2301207562	LJDWKZXPOATAGS-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCN(C)[C@H](C)[C@@H](C)C(C)C	2301703958	JFIJSZBYGJAXQT-JKSUJKDBSA-N	241.463	4.815	0	10	BJAE	
Oc1ccccc1SCCCC1=CCCCC1	2302354498	RRTVGLPEXVDIPL-UHFFFAOYSA-N	248.391	4.765	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C[C@H](C)C(C)C	2302577602	QOPDIDFHOQJFNW-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCCC[C@@H]2C[C@H]21	2302836699	OISWWGYUXMWWGI-UXIGCNINSA-N	249.785	4.639	0	10	BJAE	
CC1(CCC(=O)C[C@@H]2CC[C@@H]2C(C)(C)C)CC1	2303508215	LOXBLERRHQHOBS-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
Clc1cc2ccccc2c([C@@H]2CC23CCC3)n1	2304011792	RWHLPPDMNWOXPR-LBPRGKRZSA-N	243.737	4.546	0	10	BJAE	
CCC[C@H](CC)CCC(=O)c1cccc(C)c1	2307747314	NTQUVZXNXFZMJF-AWEZNQCLSA-N	232.367	4.784	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CO)CCCC12CCC2	2307873669	FVULWAMYALATJM-GOEBONIOSA-N	238.415	4.536	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCCC[C@@H]1NCC	2307893828	JTUKVAGBCWXGOI-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C[C@@]12CCC[C@@H]1C2	2310385125	AUKXBNACNJQLSJ-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2310893284	PQBKRNXSIQFOPG-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1C)[C@]1(C)CC=CCC1	2312460465	GEURCFSHANWVOW-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CC1)N1CCC[C@@H]1C1CCCCCC1	2313605214	WSKSXMUNNYLEGY-RHSMWYFYSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCCCCN1C[C@@]12CCCC[C@@H]1CC2	2313614540	QQDWISSANSYTSG-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1C(C)=CCC[C@H]1C	2316502543	LPZCTZMHOSVSJH-ZACQAIPSSA-N	249.442	4.703	0	10	BJAE	
CC(=CCn1cc(C(C)C)cn1)CCCC(C)C	2316518208	GIRVVQRZZYVIGT-UHFFFAOYSA-N	248.414	4.779	0	10	BJAE	
CCc1cccc([C@@H](N)CCC2=CCCCC2)c1	2317961316	DRMIMIMFMNYBCN-KRWDZBQOSA-N	243.394	4.529	0	10	BJAE	
CC[C@@H]1CC[C@@H](N)[C@H](CCCC2=CCCCC2)C1	2318539643	NEDNCMILTRCQOE-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)c1coc(C)c1	2318587679	BSVYXZHVJJJDRB-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@]1(C)C=CCC1	2318589959	WAXGQJITYRCNNL-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)CC12CCC(CC1)CC2	2318943876	KSPXHGXVFSOPBA-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](NC[C@H]1CCC(C)=C(C)C1)[C@H]1CC1(C)C	2320230416	HCRAESHQNBPGAA-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CCC[C@@H]2C(C)C)CC1	2320230875	KAIOWPBPLZVPAL-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)C[C@H]1C[C@H]1C	2320329795	VGSNGPBLALGSCS-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CCC(C)=C(C)C1)C1CCCC1	2320338930	ZNTRZRFFNDSDJI-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)[C@H](C)CC2CCC2)CC1	2320401754	LSTJULMZNARFFB-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C[C@H]2CC[C@@H]3C[C@H]23)CC1	2320415092	XKORXTRHLWGTAX-KLZNWCGWSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1ccccc1N[C@H](CC1CC1)C1CC1	2320698514	WFOJWTKSIAJMKH-QGZVFWFLSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CC[C@@H](CCNC[C@@H]2C=CCCCC2)C1	2321614760	YSWGLZVGHOJKLO-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C)[C@H](NC)c1ccccc1	2328278189	WQTQEXPRVXNFCG-VYDXJSESSA-N	247.426	4.800	0	10	BJAE	
C[C@H](Nc1ccccc1)c1ccc(F)c(Cl)c1	20078350	BWVPYBRZJLMPIN-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
C[C@@H](Nc1cccc(Cl)c1F)c1ccccc1	20303395	KGFIGRKQASCDRM-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CCN[C@H](c1c(C)c(C)cc(C)c1C)C(C)(C)C	35547075	LQIZUJCYODJUGJ-MRXNPFEDSA-N	247.426	4.617	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CC2CCCCC2)cc1	36819779	FRFPERDJLUAYNU-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc2cnccc12	36953862	DOLGSJPKYFJIKH-CYBMUJFWSA-N	242.366	4.616	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)c1cc2ccccc2o1	62797773	SXIRGMGEOFKCLO-TZMCWYRMSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC)CNC(C)C	71127260	IEOVTMXYPCTOTH-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
Fc1ccccc1-c1ccc(C(F)(F)F)cc1	82050678	SJDXJPBQSUROHM-UHFFFAOYSA-N	240.199	4.512	0	10	BJAE	
CCCCC[C@@H](O)c1c(Cl)cccc1Cl	83504697	YRJNTBSTSCZWLW-LLVKDONJSA-N	247.165	4.607	0	10	BJAE	
CCCN[C@@H](c1ccco1)C1CCCCCCC1	86579457	HULNNQLIUBCCOA-MRXNPFEDSA-N	249.398	4.681	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCCC[C@@H]1C(C)(C)C	87164291	DZUICHXAAPARDJ-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCCC[C@H]1NC1CCCCCCC1	94273793	RXVKXUUPUYYQLH-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
CCCCCC1(N)CCC(c2ccccc2)CC1	104150688	ABFUESJJDXFIPR-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
CCCCC[C@H](C)NCC(C)(C)c1ccccc1	109918776	HMSJVUIZBZNZIP-HNNXBMFYSA-N	247.426	4.523	0	10	BJAE	
Fc1ccccc1NC1CCC2(CCCC2)CC1	129209168	FKDIRFXPIOAYBA-UHFFFAOYSA-N	247.357	4.741	0	10	BJAE	
CCCCCCC1(N)CC(C)(C)CC(C)(C)C1	129877536	DTDNRTNXUOSACZ-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(C)cc([C@H](C)Nc2ccccc2C)c1	132428845	CIALAOJFQCHAQD-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCCC(CCC)[C@H](CC(CC)CC)NC	133365791	WNFSBDZPGYOIAM-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@@H](N[C@@H](C)C2CCC2)CC1	137727843	UORFTWCFUYTUQI-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](NCCC)C1C(C)(C)C1(C)C	159656326	IBJUMKKMHBCIBQ-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC(O)(CCC)c1cc2cccc(C)c2o1	165412981	XCGVCTDOISIJHZ-UHFFFAOYSA-N	246.350	4.529	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CCC2CCCCC2)C1	166240341	LNICAGROAJLEJC-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCc1ccc(Cn2ccc3ccc(C)cc32)cc1	166366661	XLOSEQWWQVKMJM-UHFFFAOYSA-N	249.357	4.560	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@]1(CC)CCCCCN1	218177727	JGAVETOQMZXJJF-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1[C@@H]2CCCCCCCCCC[C@H]2[C@@H]1O	225153900	RRZWBPBDTAGFHB-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](N)[C@@H]1CCCCC1(C)C	226818952	FMSHYZIXSFDWBT-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2CC[C@@H](C)C2)n1	228577929	AEWZMFNVHUKXTP-VWYCJHECSA-N	223.385	4.560	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)CC1CCC1	229739187	BTSSCIJEFAKDQA-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(NCCCCCCC(C)C)c(N)c1	232541967	AYXCUSVSDUJTDN-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)C1CCC(C)(C)CC1	233350374	WOCICVCXCOWWDE-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@H](N)C2(C)CCCCC2)cc1C	235888721	JZMJRYUXNHIOTA-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC[C@H](C)[C@H]1C	249721968	JHXYYRWYJZNLOU-SQWLQELKSA-N	245.410	4.876	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1	250520545	POPVQBADQADDGQ-VIKVFOODSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@@H]1C[C@H](CCC)CC[C@H]1NCCC	251275656	DMBRTXQAPZLCSU-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@H]1C[C@H]2CC[C@H]1C2	253040448	KKAPOOXVKSADGQ-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCC1CCCCC1	302244383	HFKYDLLMOOMLRK-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CCc1cc(NC2[C@@H](C)CCC[C@@H]2C)ccc1C	302318891	PONKEAUYIXZABW-KBPBESRZSA-N	245.410	4.794	0	10	BJAE	
CC(C)NCC1(CCCC(C)(C)C)CCCC1	302339039	UNYQKOSMCTYZDJ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)c1cc2ccccc2o1	305903345	BUZXPZYCCOFSAV-TZMCWYRMSA-N	245.366	4.505	0	10	BJAE	
CC(C)C[C@@H](C)CNc1ccc2sccc2c1	305939340	LENRYXGDKWPBLB-GFCCVEGCSA-N	247.407	4.995	0	10	BJAE	
CSc1cc(S)c(Cl)c2sccc12	307188097	QUBWZTACVNOZMP-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](CC1(C)CCCC1)NC	308071960	SDYPPKLOOCCFDO-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H](CC)CC(C)C	308088980	ZZJZVUMXJRUJBK-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1(CC)CCC1	309378683	RFSYAAHQYRPUBE-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC2(CC)CCC2)C1	310113577	GIGVIXYWRKQEBX-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC2CCC(C)CC2)C1	310479791	DLHLBSMAOSMVGK-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@H](C)CC1)c1cccc(C)c1	310659679	FNPPOGWLKJUJNF-JQFCIGGWSA-N	245.410	4.614	0	10	BJAE	
Cc1ccc2[nH]c(C3CCCCCC3)nc2c1C	310680746	KVMGKKCEKXDRBE-UHFFFAOYSA-N	242.366	4.618	0	10	BJAE	
CCC[C@@H](N[C@@H](C)c1cc(C)ccc1C)C1CC1	310681012	RUGMGKMLVUCBOS-WMLDXEAASA-N	245.410	4.533	0	10	BJAE	
CCCCC[C@]1(CNCCC)CCC[C@@H](C)C1	317186082	NPFJAKWGMVICLQ-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@H](C)[C@H](C)CC	319435239	QOVBQBYPYKMNDU-IIAWOOMASA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]([C@@H](C)[C@H](C)CC)C1	319933155	NWWHZRFGVSMWIB-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
O=C1CCCC[C@@H](CC/C=C/c2ccccc2)C1	324122603	INIYZHWDADDTSU-IGKXFLDPSA-N	242.362	4.629	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)CC1CCC1	383137638	DVPXWODMAVPQKC-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC1CCC(N)(CCCCCC(C)C)CC1	383211217	PWNAHSMHJRGERU-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H]2CCCC2(C)C)C1	383426962	BAXIMRHIPZGXPC-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)(C)C)[C@H](C)CC(C)C	383753801	COWSGCPBPLBTNW-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCCNCC(C)(C)C[C@@H](C)C1CCCCC1	384165868	VEQNNSZIBJPFKW-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C[C@@H]1CC[C@H]2CCC[C@@H]2N1)C1CCCCC1	386151169	CPPPQUBRWXWVEN-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CC1)Nc1cccc2ccsc12	386200349	DWWFAWZCUROIPG-JTQLQIEISA-N	231.364	4.502	0	10	BJAE	
CCC1([C@@H](O)c2ccccc2C(C)C)CCCC1	386598167	KPYKSRFFLYCNAR-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CC[C@@H]1CCC[C@@H](/C=C(/CNC2CC2)C(C)C)C1	394530620	XLNYTBQOISWSGX-MSNOVFOGSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(S)c2scc(C(F)F)c2c1	396233361	BVEPRDFDLYXEQT-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
Cc1cc(S)c2sc(C(F)(F)F)cc2c1	396300568	KSNMZXASCHSLOV-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCc1cc(C(F)(F)F)c2cc(C)sc2c1	396313005	YWGCLHHJRIFPAM-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1nn([C@@H](C)C(C)(C)C)c(Cl)c1C(C)C	400103777	HLFQUFDAPSOUAH-JTQLQIEISA-N	242.794	4.575	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC1(C)CCCCC1	401385136	IMAYMSJHHIUPKK-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(CN)c1ccccc1	405128098	FJOIFKMSJYUSFH-RDJZCZTQSA-N	247.426	4.510	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C1CC1)c1ccccc1	405701940	BDHIDVCDHMFPDL-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCC(C)(C)CCNc1nsc2ccccc12	686312677	GTCZUUZHJOWDJR-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCCC1(CNc2ccc(C)c(Cl)c2)CC1	687546529	SWLOOWLSHFJPBS-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CC(C)c1cccc([C@H](O)C2(C)CCCCC2)c1	688898950	KPWOJLFXQXITAC-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C(C(C)C)C(C)C)c1	688941424	YYEPZBKBYFBNFW-QGZVFWFLSA-N	248.410	4.772	0	10	BJAE	
CC[C@H](Nc1cccc(C2CCC2)c1)C(C)C	690113269	JKDNZFRESUNFKZ-INIZCTEOSA-N	231.383	4.801	0	10	BJAE	
CCNCC1(CCC2CCCC2)CC2(CCC2)C1	691427785	BHSKIVFHDSAARX-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@@H](NCC)c1cccc(C(C)(C)C)c1	691652355	NELGDEWRJGUPGY-MRXNPFEDSA-N	247.426	4.825	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)CC1CCCCC1	695146017	HYFUYQKWUYEPDC-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H]1CCCC2(CC2)C1	695972782	UOKJADODEMYZDT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)c1ccc(C)cc1	696218374	AKZRLQJVOVFFSH-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)CCc1ccc(C)cc1	696597819	JLWRQMJLNUZFBM-INIZCTEOSA-N	248.410	4.505	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)c1ccc(C)s1	696648421	YPBGESYRCAMKCA-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CC(C)=CCC[C@@]1(CNC(C)C)C[C@H]2CC[C@H]1C2	698041258	UAVXKYCEYCDILZ-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cccc(Cl)c1C	701096279	SLQHYQRQXBQHSD-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCCN[C@H]([C@@H]1CC[C@@H](CC)C1)C(C)(C)CC	701100042	UJRLEBYFDAQSFC-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C(C)(CC)CC)C1(CC)CCCC1	701262669	ZIUHTKUTVLLQDI-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](c1ccc(C)c(C)c1)[C@@H](C)CC(C)(C)C	704728047	KBRGZFYUNQGHSN-GOEBONIOSA-N	247.426	4.636	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C[C@H]1CCNc2ccccc21	704797720	RPFZITFLXAOJJC-RBSFLKMASA-N	243.394	4.802	0	10	BJAE	
CC[C@](N)(CCC1CCCCC1)C1CCCC1	704915255	RXBFAEGBYLTZGK-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)c1cc(C)oc1C	704926127	KHCXHIXPVNZAPU-MRXNPFEDSA-N	249.398	4.684	0	10	BJAE	
c1cc(N[C@H](C2CCC2)C2CC2)cc(C2CC2)c1	705298698	GGOSPOHDDGQRCU-QGZVFWFLSA-N	241.378	4.555	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1CCCC12CC2	706266967	HKSTZPYXTXRQDM-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H](C)CC(C)C	708298464	SQBASWSTCBOPDN-HUUCEWRRSA-N	227.436	4.602	0	10	BJAE	
CC[C@](C)(CNC1CC1)C[C@H](C)CC(C)(C)C	709109731	XIISWNRUZSQWAN-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@](C)(O)CC1CCCC1	709162769	IEGVSYIIXCIDEM-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)[C@H](C)CC(C)(C)C)C[C@H]1C	709262369	OGIADNOCUGCIOR-REWJHTLYSA-N	238.415	4.700	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C12CCC(CC1)CC2	710171875	HQJIRHXJDRGEIW-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C12CCC(CC1)C2	710956376	ZXSIBZGEGDBVFY-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)C[C@H]2CC[C@H](C2)C1	711008912	NKDKOCVDPBNMIL-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CC(C)(C)CC[C@@H]1C	713064024	GPVXIBGOOWMEFJ-FZMZJTMJSA-N	249.373	4.761	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)CC1CCCCC1	718535175	XCOATXFXMRHUOV-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCc1ccc(C(=O)CCC(C)=C(C)C)s1	718712401	UYQOBEGWLVIMGS-UHFFFAOYSA-N	236.380	4.630	0	10	BJAE	
C1CCC(CCN2CCCC[C@@H]2C2CCC2)CC1	1206552409	KOCZZTZDKFBCBD-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@H](NCC2(CC3CC3)CC2)CC1	1308504839	OJBWMYSFIJHXRB-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)CSC[C@H]1CCC[C@@H](C)C1	1643785081	FUGDETXDKXISGG-XQQFMLRXSA-N	214.418	4.592	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@@H]1CCCC(C)(C)C1	1652221450	YRMXECZUFGKUIH-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)NCC1(C)CCC2(CC1)CC2	1875709320	UPXBRVBWWWGBOE-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCC[C@H]1CCCC(F)(F)C1	1885364121	ISSCZOPNHIKSET-VUDBWIFFSA-N	202.288	4.558	0	10	BJAE	
CCCCCCc1cc(F)ccc1Cl	1889493303	ADWRIVNAGDWVKA-UHFFFAOYSA-N	214.711	4.602	0	10	BJAE	
CCCC[C@H](C)c1nc(CC2CCC2)cs1	1901908575	NZLUGUNFFSKJLT-NSHDSACASA-N	237.412	4.779	0	10	BJAE	
CC(C)CCC(=O)CC[C@H]1CCC(C)(C)C1	1903418126	RKRZMMDXQFXBJD-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@@H](C)CC(C)(C)C	1905318985	GZJDNAOJTXLBPW-UONOGXRCSA-N	227.436	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)C(C)(C)CCC	1905355073	WDDIROKNYNKOSI-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)CC[C@H](CC(C)C)NCC	1905455113	XTZVKDQQHDNVJT-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](CC1[C@@H](C)[C@@H]1C)NCCC	1908005157	LSHKZAGCFPDCOM-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC=C[C@@H](C)Cc1ccc(SCC)cc1	1911895371	RADMYWVYHNARKS-CYBMUJFWSA-N	234.408	4.943	0	10	BJAE	
CNCC(=CC1(C)CCCCC1)C1CCCCC1	1912034809	LTIXZYLPSHHNGL-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1CC2(CCCC2)C1	1912606755	KPZGJWYGPQOSLB-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](O)C1CC2(CCCCC2)C1	1912727227	KPUZSEPOXLAARZ-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)C1CC(CC)C1	1921279653	GVPGMQXFAAGBBP-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@@H]1CCCC12CCC2	1921586083	LFEMTKQMOTWXMY-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@H](C)C1CCC1	1926153314	SKDIZZIIILYBJJ-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1csc(Cl)c1	1933586509	JQMAFGPHDFFYDZ-ZYHUDNBSSA-N	246.803	4.507	0	10	BJAE	
CC1(C[C@](C)(O)CC2CCCC2)CCCCC1	1940408376	KWZOPRQWAZXWKF-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)NC[C@@H](C)[C@@H](C)CC1(C)CCCCC1	1940411617	XLBCGEIMNJVFEY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](CC[C@@H]1CC1(C)C)NC	1940866083	XXKQRRJFYOFTMD-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)CCC1(C)CC1	1940868327	GDZVPLRAJGHZGM-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CCC[C@@H]1CC1(C)C)c1ccc(N)cc1	1940972475	BJAFWOCZGAPKEO-TZMCWYRMSA-N	231.383	4.589	0	10	BJAE	
CC(C)CCCCC[C@H](C)c1cccc(N)c1	1940980108	PJMJDOBBZTZLAK-AWEZNQCLSA-N	233.399	4.979	0	10	BJAE	
CC(C)(C)C1CCC([C@@H]2CCCCC2=O)CC1	1941154728	ISWMFKRWSSDRED-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C1CCC([C@@H]2CCCC(=O)C2)CC1	1941158284	PRMNSDXWIAZOJO-ROKHWSDSSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)[C@@H](CC(C)C)C(C)C	1941266190	AXZFJRVUZVEQDP-JYJNAYRXSA-N	241.463	4.704	0	10	BJAE	
C[C@@](O)(CCCC1CCC1)CC1CCCCC1	1941469482	DLWTZYHTPZKIGY-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)CCCCCC1CC1	1941578733	FAVQGXKSGTYUJC-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1CCCCCC1	1941585466	GHRABUOXBFHMJT-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@H]2CCC[C@H]21	1941707391	GRZXUNAXEPQTOF-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C(C)(CC)CC)C(C)(C)C(C)C	1944679121	FVBFGVGSILDQKD-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(C)(C)CCNC(C)(C)C	1944843652	SXGHVXOYVKJWGF-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)C[C@H](C)CC	1947578453	XJWRHSFYRLGWPC-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CNC1CCCCCCCCC1	1947867288	TWQAXOCZJRNNNA-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CCCCC12CCC2	1947880821	HTWDFGBUSKZTLP-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CC1CCC=CCC1	1948334080	WQZJPSVLNOUHCQ-GOEBONIOSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CCCC2(C)CC2)C1	1949054784	NMPBGPGPRHJRCW-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H](O)[C@@H]1CCC2(CCCC2)C1	1949400261	UKTHNZAKDRWXDD-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](C2(CN)CCCCCCC2)C1	1949527987	DHMIPWSIJVHWRZ-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC(C)(C)C(=O)C1	1949657659	DNITXTQXKHGSSF-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)c1nc2c([nH]1)[C@@H](C)CC[C@@H]2C	1949762059	KXHZHNFXEXXWMI-SRVKXCTJSA-N	234.387	4.704	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC[C@H](N)CC1CCCCC1	1949907019	JWVOZWZNXYGSEV-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CNC2CCCCCC2)CC1	1950911328	NRKCIVDQMPWDRQ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](CC12CCC(CC1)C2)NC	1950961509	PWBFLISDGSDFPV-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CCc1cccc(OC[C@@H]2CCCC3(CC3)C2)c1	1968356885	ATJCXNBIZCEPNX-OAHLLOKOSA-N	244.378	4.598	0	10	BJAE	
CCC[C@H](C)N[C@@H](c1ccccc1)C1CCCC1	1969086020	FJXVYCMVLKMFAJ-YOEHRIQHSA-N	245.410	4.696	0	10	BJAE	
C[C@H]1CC[C@@H](CNc2ccc(C3CCC3)cc2)C1	1969958343	GTRRAHFLDPYZPY-UONOGXRCSA-N	243.394	4.802	0	10	BJAE	
CCC1(CN[C@H]2CCCCC23CCC3)CCCC1	1971015958	ULHJAIPNDRKVCN-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
C/C=C/CCCNCCCCCCC(C)C	1984609753	FGHFPZJCISEBBE-SNAWJCMRSA-N	225.420	4.539	0	10	BJAE	
C1CC[C@@H]2[C@H](CC3CC(=C4CC4)C3)[C@@H]2CC1	1985531647	YRFRFBUFSBCURS-MUJYYYPQSA-N	216.368	4.703	0	10	BJAE	
CC[C@@](CC=CCl)(CNC(C)(C)C)C(C)C	1986421478	KSUAWLMSLDWBBZ-CQSZACIVSA-N	245.838	4.570	0	10	BJAE	
CCC[C@H](N)CCCCC(C(C)C)C(C)C	1988261468	YCZRJJNBFKHMNU-AWEZNQCLSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C1(C)CC=CC1	1997544559	SWRZMKVAJWXQGJ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H]1C=CCCC1	1998376633	FBYUGCAJHYLEFF-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cc(C)c(C)cc1C	2000190306	LQGPLPSPYNLNKM-LLVKDONJSA-N	232.367	4.621	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CC(C)(C)C(C)C	2000294347	RQIHVGPCAFIRRR-ZFWWWQNUSA-N	236.399	4.620	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)[C@@H]1C=CCCC1	2000509310	LUQLPQIORNFYPV-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1[C@H]2CCCCC[C@H]21	2002210585	CYULOFARUVRFLF-FICVDOATSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](N)(CC)CC1CCC2(CC1)CC2	2003213884	JDQFZPMSDRNVCP-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)C1CC=CC1	2005782766	LJMQVQDNDYSMHO-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@@H](CC(CC)CC)C1	2006631614	MVEJJCOJVKLDRJ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2CC[C@H](C)C2)CC1	2007681316	JCJBCGYQDYQUOO-WJEHIRDRSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@@H](CC1CCCCCC1)NCCC	2007865312	ZKYNTNPYLDNGCA-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@H](C)NCC1(C2CC2)CCCC1	2008470368	JEYQVVWZUIDTQS-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C1=CC[C@@H](C)CC1	2010620258	BYNKLAJMIZHCQY-FVQBIDKESA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C)C[C@H](O)C1=CC[C@H](C(C)(C)C)CC1	2010727847	ZQEKLOTVXRKXOV-QEJZJMRPSA-N	238.415	4.556	0	10	BJAE	
CCCCCC[C@H](NC)C1=CCC(C)(C)CC1	2010767725	WSOFSBGVZCEJQO-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)C1CC2(CC2)C1	2012414443	VYHDBGIEGRPRGA-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@@](CC)(CCCC1CCC1)C(C)C	2012426263	MCISPAFDIBWTOM-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C[C@]12CC[C@@H](Nc3cccc4ccsc34)[C@H]1C2	2013056971	HNDJRYOGBKCRPA-LALPHHSUSA-N	243.375	4.502	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)C1CCCCC1	2013262596	CBUXONZISFWGRM-GOEBONIOSA-N	239.447	4.760	0	10	BJAE	
Cc1c([C@@H](O)CCC(C)C)sc2ccccc12	2014295106	XVMAIKBDKPBGNE-ZDUSSCGKSA-N	248.391	4.679	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@](C)(N)C1(C)CCCC1	2014323721	LBDOUYBOWISMRZ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(O)CCCCC[C@@H]1C(C)C	2015268834	FTKLYCUUUMAYQH-BZUAXINKSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@]2(O)CC[C@@H](C)C[C@H]2C)CCC1	2015640097	OFZHNKKOZVIFAO-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](N)C(CC)(CC)CC)CCC1	2015644361	MHBBSHJHMHECAK-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC1CCC=CCC1	2016119858	OECDQASLFMYCFM-MRXNPFEDSA-N	235.415	4.587	0	10	BJAE	
CCC[C@@](O)(CC1(C(C)C)CCC1)C(C)(C)C	2017115448	YFPAHLMXEZMAKN-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)C[C@H]1CC[C@H](C)CC1	2017724176	XBTRRVJGRABIOB-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC[C@H](N)C2)CC1	2017736446	YCFWEMXISTUYKS-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@](C)(O)[C@H]2CCC[C@H](C)C2)CC1	2018970543	QMUCYLANHICQNE-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CSC(C)(C)CCNc1ccccc1C1CC1	2021026478	VCOLFWVFZMFEMN-UHFFFAOYSA-N	249.423	4.508	0	10	BJAE	
CC(F)(F)CCC(=O)C[C@@H]1CCCC(C)(C)C1	2024092045	NMPOBQZFSUDBMG-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C(C)(C)C)CC(C)(C)C1	2024093765	DTNLCDCPDQTYKI-CYBMUJFWSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCC(F)(F)CC	2026168396	ZULCKVVHKOQFDE-CHWSQXEVSA-N	249.389	4.746	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)C1=CCCCC1	2027815195	MEFIPZSOBJPQIP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@@]1(CC2(C)CCCC2)CC=CC[C@@H]1C	2027925234	DDLYAAMZGJDFAT-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1cccc(C2CCC2)c1	2028227236	BBQRKODTOBFDGF-DLBZAZTESA-N	246.394	4.670	0	10	BJAE	
CN[C@@H](c1cccc(C2CC2)c1)[C@@H](C)CC(C)C	2028558588	YBLRVXNGNSNSDA-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
N[C@@]1(CCCCCC2CC2)CCC[C@H](C2CC2)C1	2028637172	OHVCLKFZVGESNY-IRXDYDNUSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1CC[C@@H]2C[C@H]2CC1	2028974675	FWGBTBLJSMVEAO-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)C[C@@H]1CCc2ccccc2N1	2029820643	LQUNTMOYWKEOMH-ZBFHGGJFSA-N	245.410	4.876	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CCC[C@H]2C)CC=CCC1	2032502899	NIUIDRZYALXITJ-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC12CCC2)C1CCCC1	2035889179	CSMSJSKCTRRGIS-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C1CC2(CC2)C1	2036191787	URMBKQYSUYXWNB-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC1CC2(CCCC2)C1	2036544476	WRTBDVQCNABPFX-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H](C)c1ccccc1	2036948464	BIRRRJVGTKOXGG-DOTOQJQBSA-N	247.426	4.739	0	10	BJAE	
CC1([C@@H](N)CC(C2CC2)C2CC2)CCCCCC1	2037189655	JPHDOSPPJCLUHK-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@H]1C=CCCC1	2037306815	YDBIUTYYWMVCSC-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC(C)C1CCC(N)(CC2CC3(CCC3)C2)CC1	2038088759	ADVWGLCFLDPNQV-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(F)cc1C(=O)[C@@H]1CCC[C@@H](C)CC1	2039378611	YCFNSKCTIDIRIG-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1cc(C)ccc1C	2039448411	TVVTXCLMYJEREP-HOCLYGCPSA-N	243.394	4.708	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@H]2CC[C@H](C)C2)cc1	2040138628	PPWAPLQIDQVCQN-UONOGXRCSA-N	244.378	4.819	0	10	BJAE	
CC1(C[C@]2(N)CCCC3(CCCCC3)C2)CCC1	2040765088	LXCJJDTVHHWPEZ-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H]2C=CCCCCC2)CC1	2041532120	FUJLWTCISLDTLQ-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H](C)C1)C1CC=CC1	2042025953	ZQOVIOQALDGDTR-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@]1(C)CC=CCC1	2042098280	GHCZYEFBUWOGAC-KRWDZBQOSA-N	242.362	4.739	0	10	BJAE	
CCCCc1ccc(N[C@@H](C)C2CC(C)C2)cc1	2043545353	WQRPZDMSSJUYKD-BBBYJDLNSA-N	245.410	4.876	0	10	BJAE	
CCc1ccc(C(=O)C[C@H]2CCC=CCCC2)o1	2045309443	GHBBXBDGSBGVKI-ZDUSSCGKSA-N	246.350	4.551	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2CCC=CCCC2)CCC1	2045314317	IUGJSDZKPSQEMG-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
C[C@]1([C@H](N)C[C@H]2CCC=CCCC2)CC=CCC1	2045322421	FBYBXUPVTCDIDB-BBWFWOEESA-N	247.426	4.587	0	10	BJAE	
CC(C)NC[C@@H]1CC[C@@H]1C[C@@H]1CCC=CCCC1	2045328479	FOEMOTFZQAUCHS-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(NC[C@@H]2CCC=CCCC2)cc1	2045330073	SYGAGHANMWTDPV-MRXNPFEDSA-N	243.394	4.797	0	10	BJAE	
CC(C)(NC[C@@H]1CCC=CCCC1)C1CCCC1	2045330772	YTNMDDDNGNGTGV-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCC1CC1)[C@@H]1CCC2(CCCC2)C1	2045730717	QZEGMJCZHLECRS-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CC(C)=C[C@H](C)C1	2045765310	ZPSHALGQGFHFHR-USXIJHARSA-N	249.442	4.703	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@@H]1CCC12CCC2	2047938739	IHFICGPWTRDDHK-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@@H]1CCC12CCC2	2047961711	KLTHOYFIHOUZFI-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(N[C@@H](C2CCC2)C2CC2)CCC1	2049676556	VCRBHDVIWKWFFN-KRWDZBQOSA-N	249.442	4.658	0	10	BJAE	
CC1CCC([C@H](N)CC2CCC3(CC2)CC3)CC1	2049857403	PSQQJIPQGQHVHX-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](C)NC[C@]2(C)C=CCC2)CC1	2049978156	BPWSWAQTKJIAFS-RDHHWEPZSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1=CCCCCC1)c1ccc(C)cc1	2050439195	SGXKGZVWUJNYJX-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCCc1ccccc1[C@@H](CC=C(C)C)NCC	2051398257	DTHDFJBGOQCVIV-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2051593457	PESJIQVCISNKKX-MIFYACCESA-N	249.442	4.514	0	10	BJAE	
Cc1cc([C@H](N)C2(C)CCCCCCC2)oc1C	2052468714	HRRXKBRTRHKRGP-HNNXBMFYSA-N	249.398	4.647	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@@H]2CCCCC23CC3)C1	2053325367	IGCPIYINIATLPH-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@H](C[C@@H]2CC=CCC2)C1	2055016323	MBKZWVCXVQVLMO-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(C)([C@@H](N)C[C@@H]2C=CCCCC2)CC1	2056557368	SWILCDYZDAUSKJ-GMRIPVOYSA-N	249.442	4.667	0	10	BJAE	
CCC1CC(C[C@H](N)[C@]23CCCC[C@H]2CCC3)C1	2056654189	XATYWKZCLHJJJR-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)C1(C)CC(C)(C)C1	2056875390	GKQBQIGZJDFZND-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
O=C(C1CCCCCCC1)C1CC(C2CCC2)C1	2057490665	IYAGOZDEFIQYKI-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2C[C@H]3CC[C@H]2C3)CC1	2058991523	KNTPIVMCNJZZGN-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CCCCC1CC(NCC2(C3CC3)CCCC2)C1	2059395526	MBZDTGAGCPNNQA-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C)CC1)C1(CC)CCC1	2060928548	FUOIYGFXILULGF-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(CN)(CC[C@@]23CCC[C@H]2C3)CC1	2061623845	UWMVGMUUNRFVOB-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](C2CC3(C2)CC(C)(C)C3)C1	2063817118	IOFBMYJSLZEDPZ-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC23CCCC2CCC3)C1	2063902773	JLFFWDAEWUEGEG-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC12CC(C(=O)CCC1CCCCC1)C2	2064132780	NXRIBJKATDEDCA-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H]1CC[C@@H](CC23CCC(CC2)CC3)C1	2065339098	KASNVVPWXRTRRM-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc([C@H](C)NC[C@@H](C)CCC)cc1	2066315308	YIBVCPPFACWWQC-GJZGRUSLSA-N	247.426	4.726	0	10	BJAE	
CC(C)(C)NC[C@@]1(C[C@H]2C=CCC2)CCC1(C)C	2068235335	DRZZPADJTLIKSI-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@H]2CC23CCC3)c2ccccc2N1	2069171404	MPEQJKBKYJQMKK-MGPQQGTHSA-N	241.378	4.555	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCC3(CCC3)C2)CCC1	2069339632	LKJYCHXYFSUTRN-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCC1(CC[C@H](N)c2ccccc2C)CCC1	2069342027	LBXZFKMRIMNLHG-INIZCTEOSA-N	245.410	4.745	0	10	BJAE	
c1ccc2cc(NC3(CC4CC4)CC3)ccc2c1	2069519914	RBWXACYNULOLKI-UHFFFAOYSA-N	237.346	4.584	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2(CC3CCC3)CC2)C1	2069581420	RJTPHAXCRWRXRL-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@H]1CC)C1=CC[C@@H](CC)CC1	2071509611	CVHGSHCWFNDKET-TXCZRRACSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)c1ccccc1C1CCC1	2072426546	RHDPWAGZBRTEHE-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
C[C@](N)(C[C@H]1CC[C@H](C)CC1)[C@@]12CCCC[C@@H]1C2	2072799048	OWIMBYUGWDSUIE-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(CN)C=CCCC2)CC1	2072799990	ZEUCKWLDEBVEQS-BRWVUGGUSA-N	249.442	4.668	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)[C@H]2C=CCCC2)CC1	2072802846	BQBDTMBILOPFSF-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@]2(C)C=CCCC2)CC1	2072875086	KEKGDEBAPPPPSQ-BFYDXBDKSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CC=CC23CCCCC3)C1	2074894870	FFQQAPRXARPAAL-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@@H](C)c1ccccc1	2075143608	IBLMULLPNAMUAM-NVXWUHKLSA-N	247.426	4.691	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC1(CNC(C)(C)C)CC=CC1	2079671248	PFMMQMBGAQHLQG-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@H]1C1CCCC1)C1CCCC1	2079886937	RVAXHSVYUPWCIE-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CNC(C)(C)C)[C@@H]1C=CCC1	2081682142	OBQVPPFDKYBBNV-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC1C2(CC2)C12CC2	2086061221	UJLNDJIMOBYRPF-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC(=O)c1ccc(CCC(C)(C)C)cc1Cl	2210440652	WFMILNDFTXHZBZ-UHFFFAOYSA-N	238.758	4.521	0	10	BJAE	
C[C@H](C1CCC1)[C@@H](O)CCCCCCC1CC1	2213583995	YGTBXWHPNWESIP-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC(N)(CCCCC1CC1)CC(C)C	2214566072	SIBYWRAOSSJHCN-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@H]1CC[C@@H]1C	2214951806	PTEBLLONBQYJML-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2CCCCCC[C@H]2O)C1	2215397385	CGLHYFHXCSTZED-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@@H]1CC=C(C)CC1	2215811052	ZHQCVTQEQLAVET-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCN[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216258674	QMXLHKCHILRHDG-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
O[C@H]1CCCCCCC[C@H]1CCCCC(F)F	2216446810	IWVLGPWGZGUGJK-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CC[C@H](CCCCCCCC2CC2)C1=O	2216879558	KIKGIUBCXDGYKW-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CN[C@@H](C)CC)[C@H](C)CCC(C)C	2217140949	KWHQGGVOGDRMMS-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
O=C(CC[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218326993	FQKWONZFUTWESY-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc(NC2CC(CC3CC3)C2)c1	2218480250	OMSVXNZSJAGPSG-UHFFFAOYSA-N	243.394	4.801	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CC2CCC1CC2	2218719111	VONCKGQUFYDVAN-OFLPRAFFSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H]1CC(=O)c1ccccc1C1CCC1	2220717678	WZTVJFUXGBKSOC-JSGCOSHPSA-N	242.362	4.573	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@]1(C)CC=C(C)CC1	2221640367	LJZNYAARNKKNRA-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC2CC(=C3CC3)C2)CC1	2221646854	XJDXWJNVYBHZSC-QGZVFWFLSA-N	244.378	4.583	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H](C(C)(C)C)C1)C1CC=CC1	2222265965	LTEZQDRKLDQZRK-NUEKZKHPSA-N	249.442	4.536	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	2222982927	VGSZLBTUGWAHCV-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@H](C)C[C@@H]1CNc2ccccc2C1	2223666344	LIEAYFPQBCZXIU-GJZGRUSLSA-N	245.410	4.733	0	10	BJAE	
Cc1sccc1C(=O)C[C@H]1CCCCC12CC2	2246617487	MCHBCQDXQJJECI-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC[C@H]1CCC[C@H](C)C1	2246666956	WVSFUPVTUOSLPF-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)(CC[C@H]1CCC[C@@H](C)C1)C1CC1	2246732894	OMOWGTXBGJCUFB-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2CCC2(C)C)CC1	2247401720	WHVYVXRUBAEYQI-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
N[C@@H]1CCCCCCC[C@H]1CC1=CCCCC1	2247491094	VWHMPHFICSXUIP-JKSUJKDBSA-N	235.415	4.565	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H](C)[C@H]1CC12CCC2	2248291346	KVCSNBYYXXYARH-NWDGAFQWSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@@H]2CC23CCC3)cc1Cl	2248292093	QQKFDMJKVYIFLW-AAEUAGOBSA-N	249.785	4.639	0	10	BJAE	
FC(F)[C@H]1CCC[C@@H]1CCC1CC(=C2CC2)C1	2249193783	NRIYUWQKBUQKNB-OCCSQVGLSA-N	240.337	4.948	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@@H]1C)[C@@H](CC)CCC	2250356116	PHDSRAQZCAZIJF-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cccc2ccsc12	2250359318	RJYLVAIMZLAAKN-RISCZKNCSA-N	248.391	4.761	0	10	BJAE	
CCC[C@H](CC)CN[C@@H]1CCCC(C)(C)CC1	2250384739	COBDUEOJFHAWOD-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1csc(C(=O)[C@@]23CCCC[C@@H]2CC3)c1C	2251110213	GERAALYBADFIIQ-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)c1ccc2ccsc2c1	2253093744	UYOGDNXUXUONQO-HNNXBMFYSA-N	244.359	4.520	0	10	BJAE	
Cc1cccc2c1N[C@@H](CC1CC(C)(C)C1)CC2	2253868938	NOUHUQUOZQTILJ-OAHLLOKOSA-N	243.394	4.548	0	10	BJAE	
Cc1ccc([C@@H](N)CC[C@H]2CCC[C@H](C)C2)cc1	2253932251	AWLLHXDLFKCWCM-UXLLHSPISA-N	245.410	4.601	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@]1(CN)CCCCC12CCC2	2254838763	PFVBRXCIIVRDQJ-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
C1=C(CN2CCC3(CCCCC3)CC2)CCCC1	2255208512	WNGYTDUETIZEOC-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
CC1=C(C)[C@](N)(CCCCC[C@H]2C[C@H]2C)CCC1	2257307399	MTGXKEDJMSBGNL-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H](C)c1ccccc1)NC	2259451023	BLHLWDNMCZQGKW-ZOBUZTSGSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cccc(C(C)(C)C)c1	2259467364	XSDUAVQTXOKMAG-BBRMVZONSA-N	247.426	4.810	0	10	BJAE	
CC1CC2(C1)CC(C(=O)C[C@@H]1CCC[C@@H](C)C1)C2	2259584710	YJDZBTUTTQPKBN-KUTSYARCSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CN[C@@H]2CCC[C@@H]12	2259679815	XOVCJINBWVQZKW-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@]23CCCC[C@H]2CC3)C1	2260527039	ITKXBWCDTHSWKZ-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)C[C@@]23CCC[C@@H]2C3)C1	2261197435	ZANLYYVREBFLTP-GROLMSMHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)Cc2ccc(CC3=CCCCC3)cc2C1	2261333335	XQMCPICWFPUALM-UHFFFAOYSA-N	240.390	4.854	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(C[C@H]2CC23CCC3)C1	2261377227	CVPKKNFUAMRUEP-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1[C@H](C[C@H]2C=CCCCC2)CCC1(C)C	2261446446	QEWWLRDOMFPOAN-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC=C(C)n1c2ccccc2c2ccccc21	2297638920	JGLAFFHWKBXNNT-UHFFFAOYSA-N	221.303	4.675	0	10	BJAE	
CCC[C@@](C)(CC[C@@H]1C[C@@H]1CC)CNC(C)C	2298127911	MXTPYSQQNWYQGU-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2298715025	SEZCYNZEVPGJGY-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@](C)(CCC)[C@H](C)CC1CCC1	2298872432	ZSEKJUGTNGLPPE-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H](C)CC1CC1	2298919693	GZRSQNQOOVYXLI-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](N)C1(C)CC2(CCC2)C1	2300677526	ARVLWTOGLZNZJY-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC(CC)CC)CCC(C)(F)F	2300691186	QSFSZXKVCIWPBM-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCC(C)=CCN[C@@H]1CCC[C@H](C(C)C)CC1	2300867312	KGJUUKBMPRYETM-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(N)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301143290	SICWYFXBFPUJFD-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
NC[C@@H]1CCCCC[C@@H]1CC1CCCCCC1	2301184492	ASHQGSHFKQZSOG-CVEARBPZSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@@H](N)CC[C@H]1C[C@H]2CCC[C@H]1CC2	2301237261	UWPRDAKBAAZDLW-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H](C)[C@@H](C)C(C)C	2301838934	GCGSDCPZBPIKBD-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C[C@@H](C)C(C)C	2302577601	QOPDIDFHOQJFNW-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)CC2CCCC2)C1	2302743491	SOLOPYWTUXVAQQ-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC[C@H]1CCC(C)(C)C1)CNC(C)(C)C	2302760640	KGUMKVCWGUKGHB-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)CC1CCCCCC1	2307832328	SBFREYYDFGGZKY-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CNC(C)C)C=CCC1	2307843809	PIYPGVDEKSNEJU-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CC[C@@H]1C[C@@H](CC)CCC	2307901379	HYAXAPGXFNSWDW-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)[C@]12CCCC[C@@H]1CCC2	2311609728	NDWHUUBGXAEPNU-IVSAIRAKSA-N	248.410	4.598	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)C[C@@H]2CC[C@H]1C2	2312597098	YPYCNZZNXXRZON-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C[C@@]12CCC[C@@H]1CC2	2313326660	MYVGVBKTQWKYGJ-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@@H](O)C2CCCCCC2)ccc1C	2314694240	JDGKQCURRPZBPF-KRWDZBQOSA-N	246.394	4.561	0	10	BJAE	
CCC(CC)CCC(=O)CCCc1ccccc1	2316242706	HKAMJXRCULIVCR-UHFFFAOYSA-N	246.394	4.795	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317159508	ZDQPFQKUYNBKLQ-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Cc1ccc2c(c1)CCCN2	2317835913	SCETZKZYQZXDNJ-KBPBESRZSA-N	245.410	4.515	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@]12CCCC[C@@H]1C2	2318586983	OTDQZIHQHMPADX-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
CCCC1CCC(C=C[C@]2(C)CCCCN2)CC1	2318947405	UIKKRTBYMAPELQ-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)[C@H]2CCC3(CCCC3)C2)C1	2319307698	CNVXVBQXTGOXNQ-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1c(C)c(C)cc(C)c1C	2320345297	KVKHLXWMQFEHCC-CABCVRRESA-N	244.378	4.539	0	10	BJAE	
CCCNC[C@@H]1CC[C@@H]1C[C@@H]1CCC(C)=C(C)C1	2320390691	MEQOMXFMNOVWBO-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)c2cccc(C)c2)CC1	2320394599	RJUZHIZUOCTGPM-HNNXBMFYSA-N	242.362	4.704	0	10	BJAE	
CCc1cc(F)cc(N[C@H](C)c2ccccc2)c1	2321076378	DSAZAQYIJJRYJK-GFCCVEGCSA-N	243.325	4.561	0	10	BJAE	
C[C@@H]1NCCC(=CCCCCCCC2CC2)[C@@H]1C	2321292376	HXOHYRFUESTGBW-CABCVRRESA-N	249.442	4.681	0	10	BJAE	
CCNCC1(CC[C@H]2CCC(C)(C)C2)CC=CC1	2321618119	AUGIBVMQAVCEKL-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](Nc1ccccc1)c1cccc(Cl)c1	19879602	KIXBUVXVGZOEBP-LLVKDONJSA-N	231.726	4.513	0	10	BJAE	
CC(=O)c1cc(C)c(-c2ccc(C)c(C)c2)s1	42732136	IBRUACKYFLTLII-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CCCCCCCCCC[C@@H]1CC=CC1=O	59075720	FYCVHHUJRTYZNJ-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
CCc1cccc(N[C@H]2CCCC[C@@H]2CC)c1	70977671	LUJDTJKDJHXTSX-HOCLYGCPSA-N	231.383	4.630	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@H]1CCCC(C)(C)C1	79971646	FWIRZFBHLFSSBF-GJZGRUSLSA-N	245.410	4.614	0	10	BJAE	
Cc1cccc(C)c1Nc1cccc(Cl)c1	82715158	RQAGKGSVFKQESD-UHFFFAOYSA-N	231.726	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCC(C)(C)C)CC1	83435300	LAZVRTKSTYOESZ-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H]1NC[C@@H](C)c2ccc(C(C)(C)C)cc21	84228720	YISHQLFBQHQRJG-WBMJQRKESA-N	245.410	4.532	0	10	BJAE	
CSc1ccc(N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1	85084074	BWXYBYHJXPFUPD-LALPHHSUSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](N[C@@H](c1ccccc1)C(C)(C)C)C1CC1	86117372	OWASSROBDNGDHI-HOTGVXAUSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)c2ccccc2)CC1	86893333	DTYJUUNDKXAHJX-ZMSDIMECSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1sccc1Cl	87621322	KSXWNGDQUYNBJM-GXSJLCMTSA-N	245.819	4.618	0	10	BJAE	
CCC(CC)[C@@H](O)C1CCC(C(C)(C)C)CC1	94676308	MRZFLHVHOMGRJZ-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](NCCC)c1ccc(C)o1	97468732	QZPCJXBQRPXUSO-AWEZNQCLSA-N	237.387	4.599	0	10	BJAE	
CCC[C@@H](N[C@H](C)C(CC)CC)c1ccccc1	104444460	VPZHLSNHEIPYST-RHSMWYFYSA-N	247.426	4.942	0	10	BJAE	
Cc1ccc(C(F)(F)F)c(-c2ccccc2)c1	112734725	XQVQTNLDHTYJSD-UHFFFAOYSA-N	236.236	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@H](Sc2ccc(C=O)cc2)C1	123648292	IRGRKUYMULKZSX-SWLSCSKDSA-N	248.391	4.560	0	10	BJAE	
CCN[C@H](CCCC(CC)CC)C(C)(C)C	128645682	LEZVIBADIFVKNY-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H](C)c2ccccc21)C(C)C	136962913	SPVFMDXRSRIRIX-RRQGHBQHSA-N	245.410	4.649	0	10	BJAE	
CCCN[C@@H](C1CCCCCCC1)[C@@H](C)CC	159113613	ZHOXCNBABCFXKY-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc([C@]2(C)CCS2)cc1	221508984	KRQXGGPIPOZOKJ-FZMZJTMJSA-N	220.381	4.552	0	10	BJAE	
CC[C@@H](Nc1c(C)cccc1F)c1cccs1	224942501	IAWUDCGWMUEFGP-GFCCVEGCSA-N	249.354	4.759	0	10	BJAE	
CCCC[C@@H](CCC)NC1CCCCCC1	225976221	YBZMSZHKHCEYNE-CQSZACIVSA-N	225.420	4.658	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC1CCCCC1	226782609	LFFHLESCUXBLCI-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCC1CCC(NC[C@H]2CC(C)=C[C@@H](C)C2)CC1	232910500	AZEBFAZFIVMAOY-CRYBEJKASA-N	249.442	4.537	0	10	BJAE	
CCCCCCC(=O)c1ccc(C)cc1Cl	232916416	AMVIUFPMFFKCDY-UHFFFAOYSA-N	238.758	4.802	0	10	BJAE	
CCCCCC[C@H](C)[C@@H]1CNc2ccc(F)cc21	232980284	PYINBWNMWBSTGB-WFASDCNBSA-N	249.373	4.941	0	10	BJAE	
CCCC[C@H](CC)c1nc2c([nH]1)C[C@H](C)C[C@H]2C	251261931	BYZITFSINLZKDK-UPJWGTAASA-N	248.414	4.779	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CCCC[C@H]1CC	253046594	QADFKZBEWYKHQS-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@H]1CCCCC1(C)C	300287519	YKHQCNRZXUBUTQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H](C)c1ccccc1	300472899	TWQIKPHVRATRDY-VYDXJSESSA-N	247.426	4.724	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)CCC1CCCC1	302242640	GEWWCKGJCYGKTG-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCC2CCCCC2)C1	305897957	SJFYUCLLNSPGME-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1cc2ccccc2s1	306105802	SGECLFONUMQQJC-NHYWBVRUSA-N	248.391	4.617	0	10	BJAE	
CCCC[C@@H](NCCC)[C@H](CC)CC(C)C	308093194	JINVQSFWSQPEST-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C[C@@H]1CCC[C@@H](C)C1	310549418	VXLBSOMBPPFACT-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)c1cccc(C)c1C	310674789	MDJNCFNOFFDHSN-YOEHRIQHSA-N	247.426	4.780	0	10	BJAE	
CC(C)CNCC[C@H](C)c1ccccc1C(C)C	310933510	JIMGTJNPZYXLGD-HNNXBMFYSA-N	247.426	4.549	0	10	BJAE	
CCC1(CC2(CNC(C)C)CCCC2)CCC1	317480833	DPBIFUAICYUWNP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@]1(CCCC(C)C)CCC[C@H]1C	319121879	IGFCFOATSCVKMF-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CC/C=C/c1ccccc1	323979476	DYYAYTJRESXGHN-GOZKOOQGSA-N	246.394	4.523	0	10	BJAE	
CCCC[C@](CC)(CC1(C)CCCC1)C(=O)O	380050747	VKMNNQAMZSMBJE-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CCN[C@H]([C@H](C)CC(C)C)C(C)(C)C(C)(C)C	380079469	DQVDGUYWXPYNPT-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C[C@H]2CCC[C@@H](C)C2)c1	381013614	MSZYCODVAHUYTM-ISTRZQFTSA-N	246.394	4.553	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)c1ccc2ccccc2c1	381074553	FCVYMACPBWSINM-CXAGYDPISA-N	241.378	4.522	0	10	BJAE	
CCC1(Cc2ccc3c(c2)CC[C@@H](C)N3)CCC1	381293877	YDPBHUXQFCFTMD-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@@H]1CCC[C@H](C)C1	382678462	DBTYFOWTUQAALT-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC1(O)CCC(C)CC1	383204516	OOMAMJDJPIDFQD-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCN[C@@H](CC)c1cccc(C2=CCCCC2)c1	385015313	YFSZDSFJZRCCAN-KRWDZBQOSA-N	243.394	4.705	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H]1C[C@@H]1CC(C)C	387963988	DSGCTGKNZMGGRI-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
Cc1cc2sc(S)cc2cc1C(F)(F)F	396304326	NPHVDFWLQMSAES-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@](O)(C[C@H](C)CC(C)C)[C@@H]1CC1(C)C	397625622	MQNYXYVZZAMYIN-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@@H](C)C(C)(C)C	399123509	PMVGHPABLAEMQS-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNC(CC)(CC)CC	401964919	SJWXEIBYIRGLCA-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC1(/C=C(/CC)CNCC(C)C)CCC1	686132219	ZQXGIPXUPGOVHJ-PTNGSMBKSA-N	237.431	4.539	0	10	BJAE	
C[C@H](C[C@@]1(O)CCCCC[C@H]1C)c1ccccc1	691127855	NFKYSMGCQMNRNY-INMHGKMJSA-N	246.394	4.512	0	10	BJAE	
CC(C)(CCC1CC=CC1)CC(F)(F)F	692137990	SUKRTOUHUDWUMK-UHFFFAOYSA-N	220.278	4.711	0	10	BJAE	
CCCC(CCC)[C@@H](O)CCC(C)(C)CC	696568278	REFUQLNENMEARL-AWEZNQCLSA-N	228.420	4.780	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)CCC(C)(C)CC	696799917	OZGJFZQHAXEUOR-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)NC1C(C)(C)CCC1(C)C	699625828	NXUCBBSIHGAVNY-LBPRGKRZSA-N	239.447	4.616	0	10	BJAE	
CN[C@@H]1[C@@H]2CCCCCC[C@H]2C12CCCCCC2	701805883	VLHUPQURDUJCQC-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@@]1(CCCC(C)(C)C)CC1(C)C	702203589	DRRSTZFHFXFDCV-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
N[C@@]1(CCC2CCCC2)CCCCC12CCCC2	704486548	KRLQMKPARXNNEL-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@H]1CCCC[C@@H]1C	704854703	NVOXJZWNMWYARX-XIRDDKMYSA-N	246.394	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](N)(CC)C2CCCC2)C1	704916449	XACLMINEIYGPMK-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1cccc(Cl)c1	711325660	FDWYNGIHNDUKFH-ZDUSSCGKSA-N	240.774	4.590	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1C[C@@H]2CCCC[C@@H]21	712471542	ILJKRAIJHBARLM-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C[C@H]2CCCC[C@H]21	712499921	ATBVVPPEGCPTRP-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)c1c(C)cccc1C	713160127	NAXNKHRQSYSAPH-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
C=C/C=C/CCC[C@@H](C)c1ccccc1	713653184	BEINWSKJGUBKSU-ISZGNANSSA-N	200.325	4.703	0	10	BJAE	
C=C/C=C\CC[C@H](C[C@H](C)CC(C)(C)C)NC	713684202	NGVFJPXBNKTOSC-STUIXMSNSA-N	237.431	4.559	0	10	BJAE	
CCC1(CN[C@@H]2CCC[C@H]3CCCC[C@H]32)CCC1	714260923	YOURCEWEFLNUJH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C/C=C/C[C@@H](C)c1cc(Cl)ccc1OCC	714567519	ASNMLDRTBAJRAJ-DUMNWFOQSA-N	238.758	4.808	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	719123679	IOQPGCWLOLDAIY-SOUVJXGZSA-N	234.383	4.518	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H]1CCNC12CCCCC2	721087032	LLWRHDTXGSVNKK-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](C)Nc1cccc(OC)c1C	1462425771	HZAASDDJDUWNHT-ZDUSSCGKSA-N	249.398	4.774	0	10	BJAE	
Cc1cc(CSc2ccccc2C)cs1	1651774033	AHENQBNXSPSRBL-UHFFFAOYSA-N	234.389	4.657	0	10	BJAE	
C1CCCC(CSCC2C[C@H]3C[C@@H]3C2)CC1	1656763075	RAFIWCMGNUNNQU-GJZGRUSLSA-N	238.440	4.736	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2C[C@@H]3CCCC[C@@H]32)CC1	1659922241	YBIKJDMLYOYKDR-VPABYTGTSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)N[C@@H]1CCCCC12CCCCC2	1875414262	KQAOMSJLFJNOMG-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
C[C@@H](NCC1(C)CCC2(CC1)CC2)C1CCCC1	1875709585	YEMVQUKGRMFSIC-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC=C(C)CCCC(C)C)NC	1900877774	ZQIOUYDRVSEOGH-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCC(C)=CCCc1cc(C)cc(C)c1C	1900902476	DTKIHCPVKWEWFZ-UHFFFAOYSA-N	216.368	4.901	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H](C)[C@H](C)C(C)C	1901626137	OCQFEIYWMJJSRB-NEPJUHHUSA-N	239.790	4.741	0	10	BJAE	
CCC[C@@H](CC)CN(C)CCC(C)(C)CC	1905291270	CKTRZTOKDIESNS-CQSZACIVSA-N	227.436	4.571	0	10	BJAE	
CCC[C@@H](CC)CC1(N)CCC(CC)CC1	1905301427	FTKHLEFTVKODCA-SHARSMKWSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@]1(C)C=CCCC1	1905430705	DINIJNNXRBCULN-DZGCQCFKSA-N	222.372	4.518	0	10	BJAE	
CC(C)[C@@H](C)C=C(CNC1CC1)C1CCCCC1	1911789209	LEKBQBORGDCNBG-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCCc1ccc(F)c(C(F)(F)F)c1	1912090509	LDYPQPFJEPYMKU-UHFFFAOYSA-N	244.231	4.519	0	10	BJAE	
CCc1ccc([C@](O)(CC)CCC(C)(C)C)cc1	1919611353	PWRHBOONILMNCD-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CC[C@@H](C)C[C@](C)(O)c1ccc(C(C)(C)C)cc1	1919631942	UKPDVUVTXNOOOC-DYVFJYSZSA-N	248.410	4.628	0	10	BJAE	
CCCCCC[C@@](C)(N)C1CCCCCC1	1920193895	NIVOEXGLMRHXQA-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCCc1ccc([C@@](N)(CC)C[C@H](C)CC)cc1	1920196322	ICYMHNCRLMLCCV-RHSMWYFYSA-N	247.426	4.639	0	10	BJAE	
CCCCCC[C@](C)(N)CC[C@H]1CC1(C)C	1921564467	SCXUCHZDCMMKDS-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
Cc1csc(C)c1C(=O)[C@H]1CCCC12CCC2	1921633934	UHPQOUIIKNKLLA-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CC(C)C(C(=O)C[C@@H]1C=CCCCC1)C(C)C	1925769899	VVXHIBJLAWHJGA-CQSZACIVSA-N	236.399	4.620	0	10	BJAE	
CC(C)(CC(=O)C[C@H]1C=CCCCC1)C1CC1	1925778971	XHQGUQFWZKCQQS-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)CC1CC=CC1	1926158971	DJDMXKGFPWVUHZ-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)C(=O)CCC[C@@H]1CC1(C)C	1935938199	WGZBMTFBLIPMTH-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC1(C)C[C@@H](Nc2ccsc2)CC2(CC2)C1	1937466453	OYEJCSVUTBZHOE-GFCCVEGCSA-N	235.396	4.519	0	10	BJAE	
CCCC[C@@H](CC)CC1(CN)C(C)(C)C1(C)C	1940299781	LXHIAXXUKMGDAY-CYBMUJFWSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1ccccc1C(C)C	1940616327	MICMUWNFERFHLX-BBRMVZONSA-N	233.399	4.636	0	10	BJAE	
CCc1ccc(CC)c(NCC[Si](C)(C)C)c1	1941332518	FEDLMHDJEVMAAI-UHFFFAOYSA-N	249.474	4.562	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)CCCC1CCC1	1941466701	VKWPJEVAMHOPKR-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CCc1ccc(N[C@H]2C[C@@H]3CC[C@@H]3C2)cc1Cl	1941957024	HFGFFHJKPJXQMZ-DABQJJPHSA-N	249.785	4.503	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(N)CC1CCCCC1	1942655780	KJBLHXRDMWKBFG-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)C[C@]1(N)CC(C)(C)CC2(CC2)C1	1943082470	PVGZKPVNVMHKGC-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H](C)C1CCCCC1)C1CC1	1944594578	VBAIPNAQHWMUNH-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CCC[C@H]2C)c1	1944848553	GDODIEZHYGDEMI-UKRRQHHQSA-N	231.383	4.658	0	10	BJAE	
CC[C@@H](C)c1csc(C2C[C@H]3CC[C@H](C2)C3)n1	1945330591	UCNBJYVYJIKGCB-WOPDTQHZSA-N	249.423	4.950	0	10	BJAE	
CCCC1(CNCCC2(C)CCCCC2)CC1	1945424704	LZJJYUKHBOVDCT-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)[C@H]1CCC1(C)C	1945750002	PENVBVSJKXFBER-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@H]1CCC	1947464374	QEQUKNLNZDUNQZ-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2C=CCC2)CCCC1	1947569497	LITYNANHGDPRSJ-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CCC1(CC)[C@H]2CCCCCCCC[C@@H]2[C@H]1O	1947879061	ASUPDCDEJSHZOU-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](NCCC)C1CC(C)(CC)C1	1948413246	NWUUTWQHWDMJJG-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CC1(CC)CCC1	1948981287	PDRBJTFBADSYSO-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CC1(C)CCCC1	1948982159	KRFCNBCFAPBNPU-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CC1=CCCC1)CC1CCCCC1	1949038425	FVJSLIAMOWCARD-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C[C@H]1CCC[C@](CO)(CCC2CCCC2)CC1	1950907559	FOWXZYCJWFGIDE-GOEBONIOSA-N	238.415	4.536	0	10	BJAE	
CCC1CCC(CNc2cc(C)ccc2C)CC1	1968230576	RVLAPDLVRHOQPT-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@@H]1CCCC12CCCC2	1969958311	FXDUTEDQGMSRIY-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@@H]2CCCC3(CCC3)C2)C1	1969988710	IOXKHCOIPIACHV-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCN([C@@H]2CCC3(CCCC3)C2)CC1	1970296649	OGBZDFYMNZGBQH-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H](N[C@@H]1CC[C@H]2CC[C@H]1C2)C1CCCC1	1970932933	NIKCBSNEDVVGFX-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC[C@H](O)c1cccc(Cl)c1	1980680767	JVFKGPMTSIZCLB-AWEZNQCLSA-N	240.774	4.590	0	10	BJAE	
CC=CCCCC(=O)c1cccc(Cl)c1C	1984579133	KUQADFLMJDWEFR-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CC[C@H](C)C1)C1CCCC1	1996249543	GLNQYKFFEJEDJO-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@@H]1CC1(C)C	1996565062	XDQDTLRTKDYXBU-LBPRGKRZSA-N	249.423	4.645	0	10	BJAE	
CCC(CC)[C@@]1(O)CCCC2(CCCCC2)C1	1996645076	FOWZEUJAQRZOIE-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H]1CC[C@@]1(O)CCC1CCCCC1	1998739435	AYFQLSLAEUMWCZ-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)[C@@H]1CCCC(C)(C)C1	2000036374	ZJOSQSIPOYLYJH-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](O)[C@@]1(C)CCCCC1(F)F	2002580618	CJHYUVJNNSDNBO-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCCC1CCC([C@](C)(O)CCC2CC2)CC1	2002926244	YZONUZVSELMZDZ-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(O)CCC2CCC2)C1	2002998714	NPDRFZJQEHEGKK-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H](C)[C@H]1CCC[C@@H](C)C1	2003020705	ZTFJUBATHKXUNP-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
CN[C@H]1CCCCCCC[C@H]1CCCC(C)C	2003116256	HTGMTKDXZTTWLJ-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC1(CC)CC(Nc2ccc(CF)cc2)C1	2009300460	XIGQOWFLMITESL-UHFFFAOYSA-N	235.346	4.537	0	10	BJAE	
C/C=C/CCCC(=O)c1ccc(SCC)cc1	2009567229	OAUGIXZHJQCMHZ-HWKANZROSA-N	248.391	4.728	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@H](NCCC)[C@H]1CC	2009617704	VQXWVNKZWHCDFG-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NC)C1(C)CCCCCC1	2009634761	IUXHYJKNAXTWBO-RGDDUWESSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1ccccc1-c1cscc1[C@@H](C)N	2013606821	ILMUWUXNEIBODM-LLVKDONJSA-N	245.391	4.558	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CC(C(C)C)C(C)C	2015285627	YJBOOGVUHDBJLS-MRXNPFEDSA-N	242.447	4.882	0	10	BJAE	
CCCN[C@@H](C)CCCCC(C(C)C)C(C)C	2015345366	RDRNRWBDDFATHS-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@H](C)C(C)C)CC1	2015394448	ODMPAEMWMRVSEU-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCC1(CC(=O)[C@H]2CC(C)=C[C@@H](C)C2)CCC1	2015599105	GPOKZFDDLZBQIK-TZMCWYRMSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](CC(=O)C1(CC2CC2)CCC1)C(C)(C)C	2015740283	JWFDWRSMUJOPDH-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@H](N)CC(C)C)CC1	2017732156	YTDKCZCQERIDGJ-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCCCCC2=O)CC1	2017775843	HPSIFZMFNQTFKO-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCCC(=O)[C@H]2C)CC1	2017776972	XAFVEZBCGPELLB-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CC(=O)C2C[C@@H](C)C[C@H](C)C2)CC1	2018921316	MWAQSQPCVMLBGK-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@@H](C)C1CCC(C)CC1	2019383695	DKVWBJZKVDRYOB-OEMZWJQQSA-N	239.447	4.568	0	10	BJAE	
CCC1(CNc2ccccc2C2CC2)CCC1	2021027324	WPLZFVJNVUIUGN-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1cccc(C(C)C)c1	2022492066	GUIPNPMWBWTRFE-GJZGRUSLSA-N	231.383	4.658	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2C[C@@H](C)CC2=O)CC1	2023634513	YPGOFALSHWUQPP-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](C)CC(C)(C)C[C@H]1CCCC(C)(C)C1	2024091359	HRMYYYUSHBSIQQ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2CCC=CCC2)C1	2024125177	QSTJLLYSTQEUOO-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CN[C@H](CCC1(C)CC1)c1cccc(C(C)C)c1	2027724761	BBDOWBTUHIDVSP-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@](C)(F)c2cccc(N)c2)C1	2027938596	FFHAPUYSGZKRNI-TWJWRFFLSA-N	249.373	4.526	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1ccccc1C1CC1	2028559801	KCIKUGFIMCMQKP-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)c1cc(C)cc(C)c1	2029965966	DWNGHUAKFFZRII-CZUORRHYSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H](Nc1ccccc1C1(C)CC1)C1CCC1	2032243032	PWQCTRTYJFCLEJ-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@H](C)[C@H]2C(C)C)c1	2035407069	FZJRWVFKRCVLPG-ZMSDIMECSA-N	245.410	4.786	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@@H](N)c1ccc2ccccc2c1	2037124477	JTXZAHZSHUUHNI-PBFPGSCMSA-N	241.378	4.522	0	10	BJAE	
CC(C)C1CCC(CN[C@@H]2C=CCCCC2)CC1	2039033389	VWUSMUGRYXCZNZ-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)[C@]12CC[C@H]1C2	2039752073	MNLDGTIIXMNDFQ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C1=C(CCN[C@H]2CCCC3(CCC3)C2)CCCC1	2041300358	OVJNXZJMPJCYIZ-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)CCC2CCC2)cc1	2042742858	NYKFXLBBECVQIH-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)[C@H]1C=CCCC1	2043190310	IKEZTXYZRVQOBX-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(C(=O)[C@H]2CCCC[C@H]2CC)c1	2045563010	CVFRJUUPWDVYOH-ZBFHGGJFSA-N	244.378	4.648	0	10	BJAE	
NC1(CC2=CCCC2)CCC2(CCCCC2)CC1	2045667116	ZEYJHWSVALHARZ-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
CCCC[C@](CC)(CN)CC=Cc1ccccc1	2045981189	VZPQKLXWSXOGSR-KRWDZBQOSA-N	245.410	4.635	0	10	BJAE	
NC1(CCC2CCCC2)CC2(CCCCCC2)C1	2046234057	XGOPJUSXWRVABV-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@H]1CC12CCCC2	2047014875	FAGAGGHWTGXVIT-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc2c1ccn2CC1(F)CCCCC1	2047242478	LFVUOPXSAFEWFF-UHFFFAOYSA-N	245.341	4.622	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@]1(N)CCCCC12CCCCC2	2047563053	XMMFPBNRIPOKEK-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)[C@H]1CC[C@H](C)CC1	2049636556	LMWDCTLBYSELIJ-XIRDDKMYSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1[C@@H](O)CCC1(C)CCCCC1	2050427769	CKYOJXJQUPGUPB-INIZCTEOSA-N	246.394	4.779	0	10	BJAE	
CCN[C@H](CCCC=C(C)C)c1ccccc1C	2050460332	HTYSQXLJXJVJMB-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CN(C1CCCC1)C1CCC2(CCCCC2)CC1	2051646922	WRKRBDILDOIPHZ-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
CC1([C@@H](N)C[C@H]2[C@H]3CCC[C@H]32)CCCCCCC1	2052479950	QHMYYTKILDNGMC-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)CC[C@@H]2C[C@@H]2C2CC2)CCCCCC1	2052499937	AWIIZJLGUAOHST-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@H]2CCCCC23CCC3)C1	2053356343	DWLJKZHXDMRIAG-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
O[C@@H](C1=CCCCCC1)[C@H]1CCCCC12CCC2	2053364893	FFVIDOFBQKRSTK-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](c2cccc(C(C)C)c2)C1	2055127942	IYICOQPSTXMRPO-CZUORRHYSA-N	244.378	4.673	0	10	BJAE	
C[C@@H]1CCC=C[C@H]1NC1CC(C)(C)CC(C)(C)C1	2055562261	DAAOMFHWYTYGCB-UKRRQHHQSA-N	249.442	4.536	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1CNCCC1=CCCCC1	2056490521	LHSJTGVZGJURMV-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)CCC1CCCC1	2056878335	JLPLJFVGDGXSIL-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC=CCCCC(=O)c1ccc(CC(C)C)cc1	2059207558	RHZCUPINBAUGTM-UHFFFAOYSA-N	244.378	4.814	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CC1)C1=CCC(C)(C)CC1	2061093206	WCHKBGFFSRBJRQ-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)C2=CCC(C)(C)CC2)C1	2061114637	AFUYKVNHSOWCNK-NUEKZKHPSA-N	249.442	4.667	0	10	BJAE	
C[C@H](NCC[C@@]12CCC[C@H]1C2)C1(C)CCCCC1	2061574036	CPEWJVOFHQLAAX-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
NC(CC1CCCC1)(C1CCCC1)C1CCCC1	2065937652	RVDLQUMGGGRZAV-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC1CC(N[C@@H]2CCCC3(CC3)C2)C1	2067989333	WHLDAPXTIWVFDR-SHARSMKWSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCC1C[C@H]2CC[C@@H]2C1)CC1CCCCC1	2068772031	TXOHMWDCTIZFRS-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](O)c1ccccc1C1CCC1	2068815488	AGJRKXQCXHKJSX-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)C[C@H]2CC23CCC3)C1	2069175504	BQHXLMKCZQTNSR-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN(C)C[C@]2(C)C=CCCC2)CCC1	2069279430	WVWSACMRGNBNAC-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CCCC1(CN2CCC3=C(CCCC3)C2)CCC1	2069281564	YSZLMSYTEVELPO-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
CCC1(CN2CCCCC23CCCCC3)CCC1	2069326256	JXHHCRHSLBACLX-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccc(CCF)cc1	2070396580	BJPVXAKFKVMRJZ-CQSZACIVSA-N	249.373	4.745	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CCCC1	2071186461	LPFDGXXBMWWSLT-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
C1CCC(CCCN[C@@H]2CC[C@H]2C2CCC2)CC1	2071788280	UDKUYQXGLHLMMY-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1cc(C)ccc1F	2072416524	GQOWOQHRWYVDLS-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC(C)CC[C@](N)(C[C@]12CCCC[C@H]1C2)C1CC1	2074023510	CSLJOGWJAXVBOU-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC[C@]2(C)CCC[C@@H]12	2074896103	NETQRXKIJHUZSR-TWMKSMIVSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc2ccn(C[C@H]3C[C@@H]3C(C)(C)C)c2c1	2079818751	KJMUDZFHOPYYJI-CABCVRRESA-N	241.378	4.632	0	10	BJAE	
CC1(C)CC(C(=O)C[C@@H]2C[C@@H]2C2CCCCC2)C1	2079862392	IIGLLKLYUJVNOQ-DZGCQCFKSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CC12CCC(CC1)CC2	2081787098	DLMKUWHJEYJAKY-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1=CCCCCCC1	2081787219	UTFWMBUOWWTDRJ-QGZVFWFLSA-N	249.442	4.992	0	10	BJAE	
Cc1csc([C@H](O)CCCC(C)(C)C)c1C	2210578250	WYSLTZCHHXNTCJ-GFCCVEGCSA-N	240.412	4.615	0	10	BJAE	
F[C@@H]1CCCC[C@@H]1C/C=C/c1ccccc1	2210666676	HLHBNKHEWQIERQ-VOTDVEDPSA-N	218.315	4.618	0	10	BJAE	
CCCC[C@@H](N)CCC1C[C@H]2CCC[C@H](C1)C2	2213297336	OKPCPDQLHWMLJX-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]([C@@H](O)CCCCCCC1CC1)C(C)(C)C	2213578835	AKNJGMUCYFTDDG-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@H]1NCCCCCCC1CC1	2213582196	FRGYLFLEKXPYBL-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)CCCCC2CC2)CC1	2214572756	HAGYSPGSVBNPPF-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C1CC(C)(C)C1)C(C)(C)CCC	2216285186	JHEFMAQORRSVRN-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC1CCC1)[C@H](C)CC(C)C	2217142626	XBKRAQLPHYQBQX-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1	2218359713	UIRWUMZLBZAAMD-ZSHCYNCHSA-N	243.394	4.623	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CCCCC1CC1	2220027514	JBTZUDGBFYDBNR-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccnc(C(C)C)c1	2220865771	NNKFICBXTONOAT-CQSZACIVSA-N	248.414	4.832	0	10	BJAE	
CCCC1(C(=O)CC2(C)CC3(CCC3)C2)CCC1	2221074863	AOUILDGPWWEUQA-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CC2(C)CCCCC2)CC1	2221636490	VTLQJPLENRCGNM-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C=C2CCCCC2)C1	2222261083	RXJPEDXPXDPXND-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1CCC1(C)C	2243196610	CISVJBSLXWARCM-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CNC(C)(C)CCC[C@H](C)CCCC(C)C	2244843293	OOQORTAUICEYLC-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC1(C)CC(O)(CC[C@@H]2CCC[C@@H](C)C2)C1	2246687671	QAYTYGISFXWSOT-QVOMUQBLSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(CCCC[C@H]1C[C@@H]1C)C1CCCC1	2247175744	KTOGRWHQSPKJDU-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)CC[C@H]1CCCC12CC2	2247646936	CPBSKLHUCKUMNK-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
Clc1ccc(NCC[C@H]2CCCC23CC3)cc1	2247656481	RBZCACHDPXDXEM-GFCCVEGCSA-N	249.785	4.722	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCCC[C@@H]2C[C@H]2C)C1=O	2248880911	VHWHWODTUPSGCC-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CCC(C(C)C)C(C)C	2250353577	WECDDOHVDGKLEE-GDBMZVCRSA-N	241.463	4.848	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1CCCCC1)NCC	2250358278	LJUWJVJDLWWSMP-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CNC1(C2CCCCC2)CC1	2250382227	CVMGSIZOTXVZRG-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(O)CC[C@@H](C)C1	2250495360	HNVDLKCSIPWMRZ-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCCC23CC3)C1=O	2253882801	ZXNOKUPATBKEGT-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@@H]2C[C@H]2C)c(C)c1	2254592697	NXOWZIRIKOGWBV-FRFSOERESA-N	245.410	4.520	0	10	BJAE	
c1cc(NC[C@H]2CCC23CCC3)cc(C2CC2)c1	2254982742	XYOIDKMKIMWUAV-OAHLLOKOSA-N	241.378	4.556	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C[C@H]2CCC23CCC3)C1	2255013489	NAQXAFRKMQRYKV-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CCC[C@H]1CC1=CCCCC1	2255090554	AUEGMYHJISJADM-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC1CCC1)CC[C@H]1CCCC12CC2	2255241555	PFJYAMWTXMOYMA-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CC(CC(=O)C[C@H]2CCCC23CC3)C1	2255332079	IVIXGSQBRJEWKN-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
Cc1cnc(NC(C(C)(C)C)C(C)(C)C)c(C)c1	2255422033	WZJSNFQJMJTKPE-UHFFFAOYSA-N	248.414	4.571	0	10	BJAE	
CCCc1ccc([C@@H](N)C2=CCCCCC2)cc1	2256295403	DTNNWDWKOUZBQS-KRWDZBQOSA-N	243.394	4.529	0	10	BJAE	
C[C@H](NCCCC1CCCCC1)[C@@H]1CC12CCC2	2256423303	CZBGTKKETGGUOX-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1(CNC[C@]23CCCC[C@@H]2CC3)CCCCC1	2260528030	QGUQPGZXQQHNRW-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC1CC(CC[C@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2261490409	KPJUZZNFNAUDGD-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC[C@@H]1C[C@@H]1C)NCCC	2298128708	OJDSMESJLHWCNT-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCC1)C[C@H](O)CC1CCCCC1	2298940966	ZNOJFFCYAUWOFZ-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1CC2(CCCC2)C1	2300676061	KVCYAFAPAGMCRF-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H]1CC(C)(C)CC[C@@H]1NC	2300685380	DVKANWNCOBWRSD-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(=CC1CCCCCC1)c1ccc(N)cc1	2301145000	JXBMEWOTBJWAAT-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)[C@@H](C)C(C)C	2301923470	JWYCHPTUMOLOET-UONOGXRCSA-N	233.399	4.650	0	10	BJAE	
C[C@H]1C[C@H]1c1cc2cc(C(C)(C)C)ccc2[nH]1	2302549811	XARBUEQVSPWCBO-GXFFZTMASA-N	227.351	4.589	0	10	BJAE	
N[C@H](CCCCCC1CC1)CCCCC1CC1	2302569258	ILXLFUUOWOENEO-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@H](O)CCC[C@@H]2C[C@@H]2C)CCC1	2302613104	MSBOXHDAGAGCKO-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@@H]1CC[C@@H]1C1CC1	2303055310	RBVKPXDUUPCORH-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CC[C@H]1CCC(C)=C(C)C1)C(C)(C)C	2303583069	JMQGSJJFBFFPBD-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC[C@H]1CCC(C)(C)C1	2304388884	WWMUCHRCXRNVER-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCCNc1cccc(C(C)C)c1F	2307551592	PTDYZFAYODNJRX-UHFFFAOYSA-N	235.346	4.717	0	10	BJAE	
CC=CCCCc1cccc(CC(F)(F)F)c1	2307677534	MMXYWVXKJZFQNC-UHFFFAOYSA-N	242.284	4.690	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@H]1CC[C@@H]1C	2307891473	CKYFYOIHTWPROA-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C[C@@H]1CC1(C)C)NCC	2307898763	MOSQFXKHAMBTFH-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC=C[C@@H](NCCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309181500	BIPJFFBATNSBFH-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@]12CCCC[C@@H]1CCC2	2310425886	KELONUROYRJTIT-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1C[C@@]12CCCC[C@@H]1C2	2311146323	PMEIVPPNXAKYQE-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
C[C@@](N)(CCC1CC1)C[C@@H]1C[C@H]1C1CCCCC1	2311607573	TWXSFNUDFGRXFI-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C[C@@H]1C[C@H]1C(C)C	2311611269	RRDXYPFITFHNSY-QBYUYEEZSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@H]2CCC[C@@H]3C[C@H]23)C1	2311892876	PJTDIVFFRGPNSI-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2313292049	HPFLYQRVCZIVLF-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](N)[C@@]12CCCC[C@H]1CCC2	2313687316	WDSOQJBVHPRKST-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC2CC2)CCC[C@@H](C)C1	2316489127	DDJCTJNLXUHYTE-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CCC2CC1C2	2317932841	YLVYTAUIRPXSHG-QOZQQMKHSA-N	247.357	4.550	0	10	BJAE	
C[C@@H]1[C@H](C(=O)C[C@@H]2CCCCC23CC3)CC1(C)C	2318249224	VUPAUCWZNQWDTA-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)CC2CCC1CC2	2318567544	FUPYAPPVBMKQQL-JCYILVPMSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)C[C@@H]1CC1(C)C	2318589549	RKUDBLNOHATDCJ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@@H]1CCC(C)(C)C1	2319028156	AMUWQIIVTPBOPW-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(F)c(C(=O)C[C@@H]2CCC(C)(C)C2)c1	2319286801	OFRDFCMOOFXIAI-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@H]1C)C[C@@H]1CCC(C)=C(C)C1	2320329794	VGSNGPBLALGSCS-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@]23CCC[C@H]2CC3)CC1	2320425455	XAIILVIGGPLTBR-VYDXJSESSA-N	246.394	4.662	0	10	BJAE	
CC=C(CC)[C@@H](NC)c1cccc(C2CCC2)c1	2320659121	XTZAZFHUSQEENG-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC(=CC[C@@H]1CCC(C)(C)C1)C[C@H]1CCCCN1	2321604638	DQUFGAGHEGDDME-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@H]2[C@H]3CCCC[C@H]32)C1	2321614121	RRGAYQBRBLLACT-HGTKMLMNSA-N	248.410	4.598	0	10	BJAE	
CSc1ccc([C@@H](C)Nc2ccccc2)cc1	19879695	WQCJBSLNYXXNAK-GFCCVEGCSA-N	243.375	4.582	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C)C2)c(Cl)c1	20471326	YLIODZVUFAXYBL-JQWIXIFHSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@H](C)CC(C)(C)C2)c(C)c1	21009433	YKLCSJLLLIKIIM-ZFWWWQNUSA-N	245.410	4.930	0	10	BJAE	
CCCCC[C@H](C)NC1CCCCCCC1	21520987	FUCKWEFWMLXJKH-AWEZNQCLSA-N	225.420	4.658	0	10	BJAE	
CCN[C@@H](CC(C)C)c1ccc(CC(C)C)cc1	35510616	NONKVUODSOZUPM-KRWDZBQOSA-N	247.426	4.582	0	10	BJAE	
Cc1ccc([C@H](N)C[C@@H](C)CC(C)(C)C)c(C)c1	36889561	QSPNHLQUXZBDEO-CZUORRHYSA-N	247.426	4.766	0	10	BJAE	
CC[C@@H](C)Nc1ccccc1SC(F)(F)F	36934422	ILCYVVHGTIQHKD-MRVPVSSYSA-N	249.301	4.509	0	10	BJAE	
CCCCC[C@H](N[C@@H](C)C1CC1)c1ccccc1	37259463	NSQLQELGHBYZBI-YOEHRIQHSA-N	245.410	4.696	0	10	BJAE	
CCCN[C@H](CCCCC(C)C)C(C)(C)C	80423085	VRCZWJCHKJQFPX-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCCCC1(C)C	86843072	JQQDEOVJMHOVIB-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CCC1CCC([C@]2(N)CCC[C@H](C)CC2)CC1	86883581	GMSHOHRUHFCNBV-LBDPXKHJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(c2ccc(C)cc2)CC1	86950870	SNNBFKMSPKKABZ-DOTOQJQBSA-N	246.394	4.563	0	10	BJAE	
Oc1ccccc1-c1cccc(-c2ccccc2)c1	100684656	UHLRTBXWNXTFHQ-UHFFFAOYSA-N	246.309	4.726	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1cccc(C)c1	103930742	KLRNIMFTFOWJQH-AWEZNQCLSA-N	232.367	4.784	0	10	BJAE	
CCCc1ccc(C(=O)[C@H]2CCC[C@@H](C)C2)cc1	109710075	LRCFNIFBHGKTNW-CJNGLKHVSA-N	244.378	4.648	0	10	BJAE	
CCC[C@H](CC)N[C@H](CC)c1ccc(C)cc1	109944743	HRAUJDJSXWUQRQ-JKSUJKDBSA-N	233.399	4.614	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1CCC(C)CC1	112886708	WKXVIEWWENKMKA-BHDPWAOGSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccc2sccc2c1	163860062	YESNBODTKPHXHK-BXUZGUMPSA-N	245.391	4.892	0	10	BJAE	
CCCNCC(CC)(CC)CCCC(C)C	166080178	SWPZRPSBUSLVLY-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)c1ccc(C)c(C)c1	166779307	IBIYPSGRMSRCSY-HYVNUMGLSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCC)C1CCCCC1	167074177	QQZIRIPJCZJDLG-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
c1ccc(NC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1	167848469	YIVYCYVFMKBGGE-OWCLPIDISA-N	243.394	4.705	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)C1CCCC1	168033800	CITMMAOXZVUMSR-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](Nc1c(C)cccc1F)c1ccccc1	224955982	DJFYCIAOUUKJLB-HNNXBMFYSA-N	243.325	4.697	0	10	BJAE	
CCC[C@H](C)[C@]1(N)CCC[C@@H](CCC)CC1	233340582	BQRPTNPPSLPPNG-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@@H](C)C[C@H]2C)c1	251011952	HRAUNXJMAZGGAT-KCPJHIHWSA-N	231.383	4.540	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@@H](C)C[C@H]2C)c(C)c1	251024125	SGCAJSPDOVGMAX-AXAPSJFSSA-N	245.410	4.848	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H]1CCC[C@H](CC)C1	300145212	ZKBWGDALQHXAPV-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@H]1CCCC1(C)C	300284740	PHSHGDJNXGBZBF-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)C1CCC(CC)CC1	302359342	KUHANJFFXRBWBZ-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCC2CCCCC2)C1	305895444	FXDBDLUNTZKJEZ-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc([C@@](C)(O)C[C@H](C)CC(C)C)cc1C	305904355	CEVKMHAAZHPKSA-DYVFJYSZSA-N	248.410	4.583	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1cc2ccccc2o1	305998305	KJXIZDHQYXWOBH-MLGOLLRUSA-N	245.366	4.520	0	10	BJAE	
CSc1cccc2c(Cl)c(S)sc12	307273106	OFOYQAIISBIPTG-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CSc1cc2cc(Cl)c(Cl)cc2s1	307578553	RXCINHSFIQQYEK-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CC[C@H]1CCC[C@](N)(c2ccccc2C(C)C)C1	311031289	DZNUHOBZCJYEDC-WMLDXEAASA-N	245.410	4.564	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](NCCCC(C)(C)C)C1	313273743	SPKBHWPAJHBZJY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(CNC(C)(C)C)CCCC1	319500911	BMMIGVGEJHHLDM-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C)CC(C)(C)CC/C=C\c1ccccc1	323923673	OMDARNHJSWTVSK-LDCOFTPGSA-N	245.410	4.504	0	10	BJAE	
CC1CCC(C2(CN)CCCCCCC2)CC1	379723385	NPEFEZZPRGXDGO-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
Cc1ccccc1[C@](C)(N)CCCCCC(C)C	383133590	DITFLSSJYVZLMJ-QGZVFWFLSA-N	247.426	4.775	0	10	BJAE	
CCCC1CCC(C(=O)CC2(C)CCC2)CC1	383918450	QJRIASOSLBTGDQ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCc1ccccc1-c1ccc(Cl)cc1N	384470212	RCSAIBMOZCXZNT-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
CCCc1ccccc1[C@@H](NCC)[C@@H](C)CCC	384703869	ZVBGWHKQSATGHF-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CN[C@@H](C[C@@H](C)C1CCCCC1)c1ccccc1	386766077	HRVNPALSHBGDPW-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CC12CCCCC2	387125251	LCAMJNMPMXVAGL-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CC1(CNc2cc(Cl)cc(Cl)c2)CCC1	389681276	FAHQHJYLNZWBKQ-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CCCc1ccccc1[C@H](C)CCNC(C)(C)C	395043497	ODNGGBJCYXQTBA-CQSZACIVSA-N	247.426	4.521	0	10	BJAE	
CC(C)(CN[C@@H]1CCC12CCCCC2)C1CCC1	395419942	BHRAUCWMWIQSIO-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCOc1ccc2cc(C(F)F)sc2c1C	396243439	NJOTUKBCOVMAAD-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1ccc2cc(C)sc2c1C(F)(F)F	396306158	PMHDENFUHBXZBK-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNCCCC(C)(C)C	401608574	HOOSZKWCKFIMEO-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](C(=O)CCC(C)(C)C1CC1)c1ccccc1	405811433	LXXWOLXPFHMXEX-CYBMUJFWSA-N	244.378	4.576	0	10	BJAE	
Clc1ccc(Cl)c(CC2CC=CC2)c1	606287372	PEROLTFNDYWTEY-UHFFFAOYSA-N	227.134	4.502	0	10	BJAE	
NCC1(CCCC2CCC2)CCCCCCC1	688356459	NSNVRIGBBVVKPC-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CC(C)C1(C(=O)c2ccc3sccc3c2)CC1	691865247	FQSRMVCMIBEJPZ-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@@H]1CCCC2(CC2)C1	695939521	ZCJMVZZDYPXWCQ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@@H]2C2CC2)c(F)c1	696102264	CMTAFWPAALEVAX-HIFRSBDPSA-N	247.357	4.515	0	10	BJAE	
CCCCC[C@H](NC)[C@]1(C)CC[C@H](C)C1(C)C	699021423	GZICVIPBBIXJMO-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCCCC[C@H]1C	704930782	SUZITZAJURSDPF-PMPSAXMXSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@H]1CCCC12CC2	706246141	FYCFYDCTVVVTLI-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](c1cc(C)c(C)cc1C)[C@H](C)CC(C)C	708297794	PGKFDPBMDQOLOQ-WBVHZDCISA-N	247.426	4.555	0	10	BJAE	
CCCc1ccccc1[C@H](NC)[C@H](C)CC(C)C	708300418	CNCQMCIIMVBUMH-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
C[C@H](C[C@@H]1CCc2ccccc2N1)CC(C)(C)C	709100278	GUSLYPASTMJZLI-HIFRSBDPSA-N	245.410	4.876	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H](C)c1ccccc1	713129737	MFKGGBUSKITUMI-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC(C)(C)C)cc1	713239515	JVTHZIHFPGQXOS-GFCCVEGCSA-N	220.356	4.625	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1cc(C)c(C)s1	718599084	HMSZHYCYWZSUNR-CYBMUJFWSA-N	238.396	4.535	0	10	BJAE	
CCC(C)(CC)C(=O)Cc1c(C)cc(C)cc1C	721704871	LPYMBLIGSQQGEX-UHFFFAOYSA-N	246.394	4.550	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H](C1CCCC1)C1CC1	723958944	FBPOVMMBKVKXPZ-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
C=C/C=C/CCS[C@H]1CCCc2ccccc21	1307293686	PVTRLUVTVMPPED-CWDCEQMOSA-N	244.403	4.930	0	10	BJAE	
C1CCC(CN2CCCC[C@@H]2CC2CCC2)CC1	1560017430	JLKBGBUVFZHUPO-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@@H](NCCC1CCCC1)C1CCC1	1658184671	HNKSWFRQFCVUTQ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC(C)=CCC[C@@H]1CCC(F)(F)C1	1888066350	SRSXHPXESUNXEJ-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
CCC(CC)CC[C@@H](N)C(C)(C)C(C)(C)C	1900690430	GRXGIQJBGKFMME-CYBMUJFWSA-N	227.436	4.602	0	10	BJAE	
CCC(CC)CC[C@H](O)c1cc(C)c(C)s1	1900695454	DSGXPZDGNFNRKK-ZDUSSCGKSA-N	240.412	4.615	0	10	BJAE	
CCC[C@](N)(CCC(CC)CC)C(C)(C)C	1900714278	UTCLGLSQSOOUTA-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)CCC1=CCCCC1	1901688865	LXLFTYIDGSYFGC-STQMWFEESA-N	222.372	4.518	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C[C@H](CC)CCC	1905435722	UCFZWFBAMGNERE-RBSFLKMASA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1(CC)CCCC1	1905436322	YYGCVPWZDWTHDY-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@H]1CCC[C@@H](CC)C1	1911940749	ZDMOKRNNBNFVFG-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](C)CC(C)(C)CCC=Cc1ccccc1	1912123391	OMDARNHJSWTVSK-OAHLLOKOSA-N	245.410	4.504	0	10	BJAE	
C1CCCC(CN[C@@H]2CCC3(CCCC3)C2)CC1	1916399797	JNMUNLMNQIWXRI-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3C[C@@H]3C2)cc(C2CCC2)c1	1917359325	SJGHPFLNHWXBOJ-ZMSDIMECSA-N	241.378	4.555	0	10	BJAE	
CCCC[C@@](O)(CC)c1ccc(C2(C)CC2)cc1	1919476149	PJLBCXOZMQULDZ-KRWDZBQOSA-N	246.394	4.526	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@H]1CCCC12CCC2	1921612435	HYZBRAUNBPBMOV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H](O)[C@@H](C)C1CCCC1)CC(C)(C)C	1923890791	UXAYVQCHAMCWAG-IPYPFGDCSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H](C)C1CCCC1	1924123647	DQQPDUZJUWHYAR-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CC(=O)c1cc(Cl)sc1C	1933565141	GJMVXRDMAFFMGM-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
CCCCCC[C@@H](N)CCC[C@@H]1CC1(C)C	1935922218	WRDDHONCCYKYSR-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C(=O)c1cscc1CC)C(C)C	1938804662	REBMAVKWTJPQIU-GFCCVEGCSA-N	238.396	4.566	0	10	BJAE	
CC[C@@H](C)CC(=O)[C@H]1CCCC(C)(C)CC1	1939901387	UAWVYZWLSJMKPW-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@](C)(CNCC)CC1(C)CCCCC1	1940404643	AELWOJLZSKNJON-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)CC1(C)CCCCC1	1940405228	FXXKQTZIDSILFS-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(C[C@H](C)c2cccc(N)c2)CC1	1940975137	AVNVJKSZFLTCPI-MOKVOYLWSA-N	231.383	4.589	0	10	BJAE	
C[C@](O)(CCCCCC1CC1)C1CCCCC1	1941574453	AXEWXEWGAPPPTM-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCC1CCC=CCC1	1941815291	GPONSLSWIXGRSM-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)CC)CCCC1(C)C	1944486043	MYHKITLDGTXLDL-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C(C)(C)C(C)C	1944665827	KBQYYJWHIDYDPH-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCC(C)(C)C1	1945581900	IWMUUCMBTKGIOE-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)CCC2CCCCC2)C1	1945582722	NVFBUWQZJYOXGS-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@](C)(N)c1cccc2sccc12	1945955753	DLXOXFZBCFWWQI-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CCC[C@@H](CC)N[C@H]1CCCCCCC1(F)F	1947298643	VFJNHWSTIWINAW-OLZOCXBDSA-N	247.373	4.513	0	10	BJAE	
CSc1ccc(N[C@@H]2CCC[C@@H]2C(C)C)cc1	1947468719	OFTRAFOHEFXYAB-HUUCEWRRSA-N	249.423	4.645	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)C[C@H](C)CC(C)(C)C	1948324070	VNXMRYDRNPUKAJ-YCPHGPKFSA-N	242.447	4.882	0	10	BJAE	
CCCC[C@H](CC[C@H](C)CC(F)F)NCCC	1948429201	KSDNJOLFBRYEHR-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
Oc1ccccc1S[C@H]1CCC2(CCCC2)C1	1949452259	KOCLHAKHQXOHNF-LBPRGKRZSA-N	248.391	4.597	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@H]2CCC(C)(C)C2)CC1	1949494651	AIVFAPHTCWLQHF-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)[C@@H]1CCCC(C)(C)CC1	1950913123	DULNSFMTWLWXMT-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC(CO)(C2CCCCCC2)CC1	1950919586	XZDDKOZWWPJDQF-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CC[C@H](C)[C@H](C)NC[C@H]1CCCC(C)(C)CC1	1950923688	VKPFEQHXRJNRGD-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCCC(C)(C)C)CC1	1950930823	RPYGEBYTEXBQQA-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCc1ccccc1CN(CC)C[C@@H](C)CC	1966318124	BPKZFNAJCRXDAC-HNNXBMFYSA-N	247.426	4.507	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCCCC23CCC3)c1	1968341229	JHUZOIWNOOPENM-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CC[C@@H](N[C@@H](C)CCC1CC1)C1CCCCC1	1969167370	REXBMUVXGVUHSY-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)c1nc(C2(C)CCCCC2)cs1	1975567410	BTPZVYWEOHRYHK-UHFFFAOYSA-N	237.412	4.662	0	10	BJAE	
CCCC[C@@H](NCC)c1csc(C(F)F)c1	1978579707	SPPQOBTXAWZDDR-SNVBAGLBSA-N	247.354	4.527	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@]1(C)C=CCCC1	1980485899	XSQXWAQNXKUUGC-OAHLLOKOSA-N	222.372	4.518	0	10	BJAE	
CN[C@H](CCCCC(C)(C)C)c1cccs1	1980687277	LKPCMJASJVSVKB-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H](C)C1(C)CCC1	1981373034	YPVSYHYPOWBMIK-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CC[C@@H](C)C[C@H](O)C1(C)CCCCCCC1	1981416788	SRFSQQZOCRJDFP-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CC(C)=C(C)CNc1cccc2ccsc12	1989628012	RNBCUAKDGANILR-UHFFFAOYSA-N	231.364	4.670	0	10	BJAE	
C[C@H](N[C@H](C)C1(C)CCCCC1)C1CCCC1	1995991855	SJTYHEQGGNXQRK-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1CC[C@H](C)C1)NC	1996248038	PTVSOOWPIBUJEP-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)Nc1ccccc1SC1CC1	1996547466	FQHVXXGJSDMARU-GFCCVEGCSA-N	249.423	4.932	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](CC(C)(C)C)NC)CC1	1997117779	SWRZTCHBZAUMDJ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCSc1ccccc1NCC1[C@H](C)[C@H]1C	1998552188	RCTMPYLLYKPIJK-VXGBXAGGSA-N	249.423	4.503	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CC(C)(C)C(C)C)C1	2000171307	YEHUTGNEAFDZCK-GXTWGEPZSA-N	236.399	4.620	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CCC[C@@H]1C	2000196552	KEVMQTFGIMSDGZ-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)c1cc(C)sc1C	2000364082	DNSPOEBJDCRPSL-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)[C@@H]1CCC[C@H](C)C1	2003017312	IPEBNAKNFXLGDS-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)C2CCC2)CC1	2003066526	DFUUJMVQBVYOLU-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H]1CCCCCCC[C@@H]1CC(C)C	2003110551	FCTKTCVPXXYDPJ-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC1(CC)CCC(O)([C@@H]2CCC2(C)C)CC1	2004350499	CFZFEOGCVIJBGX-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@]2(CO)CCCCC2(C)C)CCCC1	2005586489	OHONECRAOKKFGM-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CC[C@H](C[C@@H](O)C=C1CCCCC1)C(C)(C)C	2007920743	LQHSPHHVWGHLDZ-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)C(C)(C)C(C)C	2007949167	ZSRKOHMADNWUFN-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C[C@@H](C)CCO)C1CCC(C)(C)CC1	2008715998	LEHLKWHRRHRSBY-UONOGXRCSA-N	240.431	4.638	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CCC(C)(C)CC)[C@@H]1CC	2009248838	LKKLBYORKPMHHO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H](C)CC(C)C	2009635929	SAIGULKYIGKXQY-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCCCC1CC(O)(C[C@@H](CC)CCCC)C1	2009713680	DNJGTJFHZKDQGJ-FHERZECASA-N	240.431	4.924	0	10	BJAE	
CCCC1CC(NC(CC(C)C)CC(C)C)C1	2009784868	BVSGYHYJQBLIAU-UHFFFAOYSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)c2csc(C)c2C)CC1	2010769156	NZNXSTNGYKEQFP-WFASDCNBSA-N	249.423	4.501	0	10	BJAE	
C/C=C/CCCN[C@@H]1CCC[C@H](CC(C)C)C1	2011438914	VIWFHIHOYLGPOZ-FZZYSBJUSA-N	237.431	4.537	0	10	BJAE	
CNC[C@@]1(CCCCCC(C)C)CCC1(C)C	2014857252	ANMNZAJTPHKAEY-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(C[C@@H](O)C1(C)CCCCC1)C(C)C	2015279069	UEIZZEDJGLUFGI-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C[C@H](N)[C@@H](C)CC(C)(C)C)C(C)C	2015280318	DXXFVMYDMZBSNR-ZFWWWQNUSA-N	241.463	4.704	0	10	BJAE	
CC(C)C(CC[C@]1(C)CCC[C@@]1(C)O)C(C)C	2015346179	BMLULVYDWGTTGK-JKSUJKDBSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)[C@@](N)(CC(C(C)C)C(C)C)CCC1	2015408203	HUTZDGPVRGEXNE-INIZCTEOSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)c1csc(C2(CC3CC3)CCC2)n1	2015746568	BIJMJUCFJDHPNH-UHFFFAOYSA-N	249.423	4.662	0	10	BJAE	
CCCCCC[C@H](C[C@@]1(C)C[C@H]1C)NCCC	2016462401	ZIQYJAUKDIYPNB-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)C[C@@H](C)C1CCCCC1	2017246356	RQEOFWABMGTLAK-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H]1CCCC[C@H]1CC	2017472547	LHOZUAVWFCNXCY-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1(CCC)CCC1	2017486889	MYCNLMNJYJIMNP-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC1CCC(CC(=O)C2(C)CC=CC2)CC1	2017769810	SZOLHKWBEVDDGR-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CC[C@H](C)CC2)CC1=O	2017775113	XNMFHHXHIYDEMZ-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCCC(C)(C)C1	2018139452	RVZNHUYPNIIKMS-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](C[C@@]12CCCC[C@H]1C2)NCCC	2018572827	YCYFJPLKIRRNMO-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CCC(=O)CC2CCCCC2)CC1	2018939591	UBYKICXTDMKZGO-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(C)c1ccccc1O[C@H]1C=CCCCC1	2019540044	ADBWPERIWWVXKI-AWEZNQCLSA-N	230.351	4.688	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCC(C)(C)[C@@H]1NCC	2020361735	SADLZYDOSLKDNX-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)[C@@]1(O)CCCC2(CCCCC2)C1	2020971028	GIACDUQJXMXHEK-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1Nc1ccccc1C1CCC1	2021027335	XAUGXBKVGCPJCK-IUODEOHRSA-N	229.367	4.555	0	10	BJAE	
CCCC[C@@H](CC)[C@H](C=C1CCC1)NCCC	2022686351	GLOWSKHZWFKMOP-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CCCCC(C)(F)F)CCC(C)C	2023297512	ZGYFDFAYHZHXII-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
Cc1cccc2c(Cl)c3c(nc12)CCC[C@@H]3C	2024608125	HOYCLSVLIYGOAV-VIFPVBQESA-N	245.753	4.636	0	10	BJAE	
CCC[C@](N)(c1ccccc1)[C@H](C)CCC(C)C	2029825561	QNWQZFGFJXKYLL-NVXWUHKLSA-N	247.426	4.713	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1CC(C)(C)CC2(CC2)C1	2030287717	JVLSSGYWAFCJPF-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)[C@H](NC)c1ccc(C2CCCC2)cc1	2031750216	PTUWGQHBTMALLJ-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@H]1CCC(C)(C)C1	2033398671	AOFUGWZVDTWNKF-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
CC1(C)C2CCC1([C@@H](N)C1CCCCCC1)CC2	2033434384	DLFYCHFVCAQRDR-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccc(OC2[C@@H]3CCCC[C@@H]23)cc1	2033478881	MVDOGVJDCRFQDV-HUUCEWRRSA-N	244.378	4.552	0	10	BJAE	
CC1(C)CCC[C@@H](NC2CC(C3CCCC3)C2)C1	2033767256	MTHKSTKXRYJYGX-HWOWSKLDSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1C[C@H]2CCCC[C@@H]2C1=O	2034259326	RLWSUQGOMBBJMY-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1NC[C@@H]1C=CCCC1	2035557892	BPVVTLSALFWTOU-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC[C@H]1C=CCCC1	2035569740	UJJNJKAFEUHWOZ-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CCCCC1(C)C	2035603253	YWNHCRFVYMDHFX-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCC1([C@H](N)[C@H]2CCC3(CCCC3)C2)CCCC1	2037693298	WZNYJOMQFYMAOI-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CNCC1([C@H]2CCC3(CCCC3)C2)CCCCC1	2037703387	NXUSHLWDAAKPCW-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCC1CCC(C[C@H](NC)c2ccccc2)CC1	2038137295	BOLAJJSXFVZUGN-DQPZFDDXSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)C1CC2(C1)CC(C)(C)C2	2039420953	IUESUPCTMPJPSG-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(F)cc2cc(C3(C)CCCCC3)[nH]c12	2039846571	NAHBMRCIGOBEKU-UHFFFAOYSA-N	245.341	4.837	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@H]2C=CCCCC2)CC1	2040650752	LWKDSJBLSSNOPS-XGHPGWEVSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@@H](C)C1)C1(C)CC=CC1	2042025731	YBCFRECXNMOLCO-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCNC[C@]1([C@H]2CCC[C@H](CC)C2)CC=CCC1	2042088869	JTUOJJGWYVHAGL-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@@H](C)c1ccoc1	2042326425	RDXGGTMZAQWJOB-BPUTZDHNSA-N	249.398	4.535	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H]1CC[C@@H](C)C[C@@H]1C	2043194846	PKOWDQWZVBXYRM-AESZEHBQSA-N	249.442	4.680	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CCC(C)(C)C1CC1	2045680935	QTMIEUNYPBBLAQ-CZUORRHYSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CC(CNC2CC3(CCCCCC3)C2)C1	2046232156	SSGBFMVHHHCMRH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@@H]2CC23CCCCC3)CC1	2047005759	VXTMHHPFKYSXLO-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C1[C@H]2CCCCC[C@H]12	2049215621	UAEDJULAKWZCCG-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)[C@@H]1[C@H]2CCCCC[C@H]21	2049217931	LHBLAPYBZCOENY-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)C2=CCCCCCC2)C1	2049530668	YAIGFVFSGCWMOC-BHYGNILZSA-N	249.442	4.811	0	10	BJAE	
OC1(C=Cc2ccccc2)CCCCCCCC1	2049699477	ANWFLYJGPUVMOM-UHFFFAOYSA-N	244.378	4.565	0	10	BJAE	
N[C@@H](C[C@@H]1CCC2(CC2)C1)C1CCCCCCC1	2049867879	YATFBPTXORZKGU-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCC1(C)CCCC1)c1cccc(C)c1	2050439934	DLHHDIRTRQWWAP-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
C[C@H](NCC1(C)CCCCCCC1)c1ccoc1	2052504084	CEGQLQBVQHCDBT-AWEZNQCLSA-N	249.398	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC[C@@H]2CCCCC23CC3)CC1	2053435006	ZHAQGPVJWPQUGS-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H]1C1(N)CC2(CCC(C)(C)CC2)C1	2055281503	AIXAFQXPBPOKPI-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@@H](NC2CC(C)(C)CC(C)(C)C2)CCC1	2055550501	TVDGMJSNJTYIDP-AWEZNQCLSA-N	249.442	4.680	0	10	BJAE	
CCC1CC(C[C@]2(CN)CCCCC23CCC3)C1	2056648834	RQUUIQQJNJWKFZ-DQPZFDDXSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@]1(C)CC=CCC1	2059183561	LRIGDNIENWKJLR-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)c1ccc(F)cc1	2059249701	JYRUMGREWNGHQJ-WMHVBEDNSA-N	249.373	4.613	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1cccc(C(C)(C)C)c1	2059256695	RKOFLCRMCBIUPK-SQRWCISFSA-N	245.410	4.730	0	10	BJAE	
CCCC1CC(N[C@@H](C)c2ccc(C)c(C)c2)C1	2059493255	NNAOTMFEFFAUNG-UQPPLGOBSA-N	245.410	4.533	0	10	BJAE	
CCc1c(Cl)cc(Cl)cc1C(F)(F)F	2060080328	SEUNMAXBENVIIG-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
CCCC1CC([C@@H](NC)C2=CCC(C)(C)CC2)C1	2061138873	ASLUTALTEACLAD-BCLQGDPASA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@@H]2CCCCCC23CC3)C1	2062020385	ZQNLCONMTGGCKS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)C3(C)CCCC3)C2)C1	2063207842	LHQLYLCLQWPYPS-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H](CC2CC(C)(F)C2)Nc2ccccc21	2065816968	IWRPFJOKOGCUTF-ISGSLZAZSA-N	247.357	4.503	0	10	BJAE	
C[C@H](NCC1(C2CC2)CCCC1)C1(C)CCCC1	2067508572	MYHOQWAQQGCEGM-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
NCC1(C[C@@H]2C[C@@H]3CC[C@@H]3C2)CCCCCCC1	2068775593	PDBHLBWYGRLJIR-MUJYYYPQSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@@H]2CC23CCC3)Nc2ccccc21	2069170001	CSAKJYBHTJXRDH-MCIONIFRSA-N	241.378	4.555	0	10	BJAE	
CCCC1(CN(C)[C@H]2CCCC23CCC3)CCC1	2069279985	DXJOGPOJWNWEAO-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCCC3(CC3)C2)CCC1	2069335888	UAQAQRSNOQDIAL-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@H](NC)C2(CC3CC3)CC2)CCC1	2069511982	XCPKRGBZTWKSGD-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@@H]1C)C1=CCCCCCC1	2072092157	RWPBNRSXLCCFQM-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@]1(C[C@]23CCCC[C@H]2C3)CCCCCN1	2074028963	KRQJCPYCOQCPGR-GVDBMIGSSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)C1CCC2(CC1)CC2	2074648451	IYDCUQDOHORWCK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(N(C)[C@@H]2CCCCCC23CC3)CC1	2075113880	GENXHVLKEZOPPK-UYSNPLJNSA-N	249.442	4.610	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccccc1C1CCC1	2077262259	PRZKACWPERNONH-OAHLLOKOSA-N	243.394	4.945	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@@H]2C2CC2)CC1	2079336200	HMMHNCGITSLYQI-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@H]1C[C@@H]1C1CCCC1	2079428894	SJTFPZCBFDPPFX-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CC1CC(=C2CCC2)C1	2081784479	DYPZSENSEKJDFG-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CCc1cc(F)ccc1NCCC[C@H]1CC1(C)C	2081951713	QPTYQSOROPNHRQ-ZDUSSCGKSA-N	249.373	4.626	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CC[C@H]1CC(C)C	2081956101	VXBRNYWLXVHMQM-BBRMVZONSA-N	249.373	4.625	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CCC1(C)C	2212630774	GGNBDHASVRPKPK-CYBMUJFWSA-N	237.774	4.503	0	10	BJAE	
CCC[C@@H](O)CCCC1C[C@H]2CCC[C@@H](C1)C2	2213297494	ARGWTCJPEDYKGY-VFSICIBPSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)CC(C)(C)C	2213572984	CDJDAVXPWQPCEK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
N[C@@H]1CCCCC[C@@H]1CCCCCCC1CC1	2213576263	OGNMNCMMVGYXRU-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CC1(CNCCCCCCC2CC2)CCCC1	2213583380	RFUZNLAGDZPXJG-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](O)C[C@@H](CC)C(C)(C)C	2215233480	OEJJQRLEAUCJMM-BARDWOONSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@]1(O)CCC[C@@H](C(C)(C)C)C1	2216252552	KUYHNMYVBQDXBV-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C(C)(C)CCC	2216278132	KYKBBYRAAJKKNG-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
O[C@H](CCCCCC(F)F)CC1CCCCC1	2216452703	DIDWEQLZMQWKHT-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC(C)[C@H](C)N(C)CCCCCCCC1CC1	2216878021	SFVKVPNJEZOJAT-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)C1CCCC1	2216880301	TVKOFNLIBJKZPV-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(F)(F)[C@@](C)(O)CCCCCCCC1CC1	2216901266	WIFKOCVKYASBQO-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H](C)CC1(CN[C@H](C)CC)CC(C)(C)C1	2217124744	KATZTCXFASDXLS-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC1(CN[C@@H](C)CC)CC=CC1	2217154913	YEARQLSUCBIXGF-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1CC2CCC1CC2	2218719110	VONCKGQUFYDVAN-JCYILVPMSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CCC2(CCC2)C1	2218726189	MDXMDXFIQREWJQ-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
O=C1CCCCCC[C@H]1C/C=C/c1ccccc1	2219089249	ZFIUYPHEMPVAEL-KXKDPZRNSA-N	242.362	4.629	0	10	BJAE	
C[C@H](C(=O)CC1(C)CC(C)(C)C1)c1ccccc1	2221076997	UYAYBQXNKFJIPZ-ZDUSSCGKSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@H]2C[C@H]3CCCC[C@H]32)C1	2221083382	IQLWRBIQPTUKQK-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@H](CN(C)CCC2CCCCC2)CC1	2221611089	ZIQKUHCPYKSOES-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CCC1CC([C@]2(CNC(C)C)CC=C(C)CC2)C1	2221662807	PQSPWZZBOOOVKJ-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2C[C@H]2C)CCC=CCCC1	2223547824	OFLSOADFKSGKCM-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)NCC1(C2CCCC2)CC2(CCC2)C1	2223556544	IYHQSQJIKPLZSD-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(=Cc1ccc(C2CC2)cc1)c1ccc(N)cc1	2231691344	AXOOOXBTSLUTPJ-UHFFFAOYSA-N	249.357	4.707	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc(Cl)cc1C	2244785079	VXSCIGDGZGELOF-LLVKDONJSA-N	238.758	4.657	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CC[C@@H]2CCC[C@H](C)C2)C1	2246726308	JNWWYZDGLCXCFK-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@](C)(O)CCCC[C@@H]1C[C@H]1C	2247115642	LVPXZWDCUYLDSR-OAGGEKHMSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCCC[C@@H]1C[C@H]1C	2247159549	NTBFJDJEOVKMKO-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)CC(C)(C)C1CC1	2247164210	NCFDPJMEGGTHAL-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CCC2(C)C)C1	2247429972	AUCLZYWJCHIHMO-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC1=CCCCC1	2247460395	BBRRIHUFEKYEDW-GOEBONIOSA-N	237.431	4.811	0	10	BJAE	
CC(C)Oc1ccc(CC2=CCCCC2)cc1	2247500266	OHEBUQMRSAGNOZ-UHFFFAOYSA-N	230.351	4.517	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN1CCCC1(C)C	2250469862	UDSCDRIORDIYFM-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC[C@](N)(CC[C@@H](C)CCCC(C)C)C1CC1	2250477433	XNJPSBQPFMYTCY-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CCNCCC1CCC1	2250487561	CAKIGFGCTLMLQF-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CCC1CC(CC(C)(C)C)C1)NC	2251608120	MMDKITYBDIBGQK-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
Fc1cccc(OCC[C@H]2CCCCC23CC3)c1	2253801031	BDMVADQQEYDNGZ-CYBMUJFWSA-N	248.341	4.565	0	10	BJAE	
CN[C@H](CCC[C@@H]1CCC[C@@H](C)C1)c1ccco1	2253929087	HNTJZGCJPMPBPE-QLFBSQMISA-N	249.398	4.537	0	10	BJAE	
CCCC1CC([C@H](CC2=CCCCC2)NCC)C1	2255062213	GNDCDHVBETXGSD-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)c(O)c1CC1=CCCCC1	2255175422	HSGGQFYUBAMDHO-UHFFFAOYSA-N	244.378	4.867	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)CC[C@H]1CCCC12CC2	2255262406	WFWCGEXSYSPVRL-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccccc1C1CCC1	2259438726	YAIODKKGSPPWME-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1ccccc1C1CCC1	2259441040	BRZUPVBRLPDFKP-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cccc(C2(C)CC2)c1	2259451709	FBOLSRQHZBYYIW-XJKSGUPXSA-N	246.394	4.598	0	10	BJAE	
CCC1([C@H](C[C@@]23CCC[C@H]2CC3)NC)CCCC1	2260613845	XUXQUTBLUOOPHG-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(NC[C@]23CCCC[C@H]2CC3)cc1	2260629157	UNVOHFSOGLZFED-DOTOQJQBSA-N	243.394	4.631	0	10	BJAE	
CC1(C[C@H](N)c2cccc(C3CCCC3)c2)CC1	2260728096	YCOTTZRTDHDFPD-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H]1CCNc2ccc(F)cc21	2261348533	MUTNOIDAXBZERZ-AGIUHOORSA-N	247.357	4.551	0	10	BJAE	
C[C@H](C[C@H](O)[C@@H](C)CC1CCC1)CC(C)(C)C	2298916474	NMHBEGUKNZDRIO-IPYPFGDCSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@H]1NCC1(C)C	2299220758	JJKSTSFSVNJKBK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@@H]1CC12CCCC2	2300472008	NCKSNMLKTYGSHC-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](CNC(C)(C)C)C1CC1	2300675012	AKFHMWKOWYKYGG-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H](CC(C)C)C(C)C	2300676541	PUFNXIIOLWOPRE-JKSUJKDBSA-N	241.463	4.848	0	10	BJAE	
CC(=CCC(=O)CCC1CC1)CCCC(C)C	2300898960	JNPFGVZZSKPLDD-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CCC(C)=CCC(=O)C1CCC(C(C)C)CC1	2300923365	IEIQFIIWNABIOF-UHFFFAOYSA-N	236.399	4.764	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@@H]1CCC[C@@H]1C(C)C	2301954170	XKIONVRBSCNTTA-BYNSBNAKSA-N	238.415	4.556	0	10	BJAE	
CC1(C)C[C@H]1c1csc([C@@H]2C[C@H]3CC[C@H]2C3)n1	2302258116	LRVMBSLXAQHDDC-YFKTTZPYSA-N	247.407	4.560	0	10	BJAE	
O=C1CCCCC[C@@H]1CCCC1=CCCCC1	2302362125	VTFSLDCTUWFBAL-OAHLLOKOSA-N	234.383	4.807	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)[C@@H]1CC[C@H]1C(C)(C)C	2303445656	SGQLQSMYRKHNQM-REWJHTLYSA-N	238.415	4.556	0	10	BJAE	
CC1(C(=O)C[C@H]2CC[C@H]2C(C)(C)C)CCCC1	2303478985	VRRCTGPQZPFUEE-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)N(CC)C[C@@H]1CCC(C)=C(C)C1	2303516734	RFFBNVBRTKJGIQ-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CC1=C(C)C[C@H](CNc2ccccc2Cl)CC1	2303598098	YFMOQZRMEBDLDZ-CYBMUJFWSA-N	249.785	4.888	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@H](C)C(C)C)c1	2303711250	QICQQTCGTXVQLH-CYBMUJFWSA-N	232.367	4.675	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCC1CCC1)NCC	2307818196	YCWUOONXSOOZLE-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)c1ccco1	2307899455	BSSHRVGOIUNVCI-UONOGXRCSA-N	237.387	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1CCCC2(CC2)C1	2307901187	XSIMEHCRUYMOJC-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@]23CCCC[C@@H]2C3)CC1	2311126521	IMHPFZUMTCHFOX-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@]12CCCC[C@@H]1CC2	2313291704	BGJHCTIEPKRDHX-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)[C@@]12CCCC[C@H]1CC2	2313310295	YUVSQAHFUXLVGB-SZOQZIPDSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCCc1ccccc1	2315895782	GDEVJAMPCZSBTL-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@H]1CCCC2(CC2)C1	2316503565	QGPPJFKHTDGKBP-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1cc(F)ccc1C	2316504209	USHVZDFCTBSTBS-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316696807	DHJDWWQRCYNDHS-LLLHUVSDSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317121859	PDGVMUNYWUTGGC-BZUAXINKSA-N	248.410	4.764	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CC1(C)CC(C)C1	2317523916	ASSSXAJWBBVUAZ-UHFFFAOYSA-N	245.341	4.525	0	10	BJAE	
CCCOc1cccc(N[C@H](C)[C@@H](C)C(C)C)c1	2317945597	SOENNSWZWZCSRI-UONOGXRCSA-N	249.398	4.568	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)CCC[C@@H]2CC[C@@H]21	2318575716	IIRYRDDNWYVFCB-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@@H]1C)C[C@H]1C=CCCCC1	2318933148	ZCSZEJQRWBLFCI-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)CC[C@H]2CC[C@H]2C2CC2)CCCCC1	2319691079	XGGNLYURFSWQAB-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC[C@@H]1CC[C@H]1C1CC1	2319694586	YYLUYXWZFWCDTD-YCPHGPKFSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CNCCC[C@@H]2CC2(C)C)CC1	2320375777	XASLBNIEQJKCEY-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](O)CC2=CCCCC2)CC1	2320408881	OVCMZJSMIAWADH-DLBZAZTESA-N	248.410	4.764	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H](C)[C@H](C)C(C)C)c1	2320570589	OLLQTRXUXDERQC-ZIAGYGMSSA-N	246.394	4.921	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2321610583	IUCPSCGGAVEYMI-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H]2CNC3(CCCC3)C2)C1	2321651252	XLPPMNARIHLQED-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC[C@@H](C)C2)c1F	2327777588	HEBQHODGFBYWOY-OLZOCXBDSA-N	249.373	4.940	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccc(C2CC2)cc1	2328087445	YBABUKKGVQJBCL-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CCC[C@@H](CC)CC(=O)Cc1ccc(C)c(C)c1	2328098192	SULANUZYNAPRMP-OAHLLOKOSA-N	246.394	4.631	0	10	BJAE	
CCC[C@@H](CC)CC(=O)Cc1cc(C)cc(C)c1	2328104704	LCOBHSSDVKJJLM-OAHLLOKOSA-N	246.394	4.631	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1cccc(C2CC2)c1	2328275757	PNTWMEVDPWPDTD-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
C[C@H](Nc1ccccc1)c1cccc(Cl)c1	19879603	KIXBUVXVGZOEBP-NSHDSACASA-N	231.726	4.513	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@@H]2CCCC[C@@H]2C)c1	21505474	FSMHKHJMVWMIPA-YQQAZPJKSA-N	245.410	4.533	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C)cc1C	21793013	IICZCCGWBLYHJF-JLJPHGGASA-N	245.410	4.533	0	10	BJAE	
CCCCCCN[C@H](C)c1ccc(CCC)cc1	21817846	AXYLFQJFMLLMIZ-OAHLLOKOSA-N	247.426	4.870	0	10	BJAE	
C[C@@H](N)c1cccc(-c2ccc3ccccc3c2)c1	38071111	KBXAPJGKEICMNP-CYBMUJFWSA-N	247.341	4.527	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)c1ccoc1	70414431	UEMIKHOIMROXDP-ZFWWWQNUSA-N	237.387	4.537	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cccc(Cl)c2C)C1	70747786	IPNPEIRPYUOXBL-NWDGAFQWSA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@@](C)(CCC)CNC1CC1	71127802	JYBSAFCPBQFZNN-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCCC(CC)(CCCC)CNC1CC1	71127982	ZNRRLVCIFPRBDU-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCNCC(CC)(CC)C[C@@H](C)CCC	71128027	DLBZQCKUGXTPOO-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CCCc1ccccc1N[C@H]1C[C@@H](C)CC[C@@H]1C	85097359	LNAWMSLLIDSRKV-ZQIUZPCESA-N	245.410	4.876	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@@H](C)NC(C)C	87146776	CHHYLUGQKVWJDK-KFWWJZLASA-N	227.436	4.616	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C1CCCCCCC1	87690264	RIFFVHBBRLHHOV-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)N[C@H](CCC)c1ccccc1	103987319	BBCVMAKYGGTCDM-JKSUJKDBSA-N	233.399	4.696	0	10	BJAE	
CCC[C@@H](CNCC(C)C)CC1CCCCC1	104007358	OIRSHSOCNCSAQT-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)c1csc(C)c1	129449107	ZGZSNYARVJBWTQ-SMDDNHRTSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H](C)c1csc([C@@H]2CCCCS2)n1	132273472	QUTGMQGCQZTUNP-KOLCDFICSA-N	241.425	4.615	0	10	BJAE	
CCCc1ccc(-c2ccc(CC)cc2)cc1	139823796	JCGYPDKCUMNOCT-UHFFFAOYSA-N	224.347	4.869	0	10	BJAE	
FC(F)c1cc2ccccc2cc1C(F)F	143876518	MFEPBCQSEQOIGP-UHFFFAOYSA-N	228.188	4.715	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@H](C)C1CCCCC1	149406942	YFRFOKLXVIEVLU-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C1CCCCCCC1	159104907	WMELKAPMINVEEW-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1CCCCC1)NC	161015828	NLZZTUWVDRTCNK-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H]1N[C@@H](C)C1CCCCCC1	164126868	SKPBTPJBRJNGLI-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1	166041716	IIPFFXFKYLFGJR-GZBFAFLISA-N	244.378	4.504	0	10	BJAE	
CN[C@@H](CCCC(C)C)c1c(C)cc(C)cc1C	229171010	YEGYAJVBAFHDAW-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CCC1(CNC[C@H]2CC(C)=C[C@@H](C)C2)CCCC1	233039993	SYEBCQNJGYWWTP-GDBMZVCRSA-N	249.442	4.539	0	10	BJAE	
Clc1ccc2[nH]cc(C3CCCCC3)c2c1	236075137	CXPLISGZBKWOGX-UHFFFAOYSA-N	233.742	4.869	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)C[C@H]1CCC(C)(C)C	250766111	GPNSSFNANYWDOB-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1	252424646	IOLSWYNNNIHYQO-YQQAZPJKSA-N	243.394	4.766	0	10	BJAE	
CSc1cccc(NC[C@@H](C)CC(C)C)c1	300939202	OOWCRUUTASIXFF-LBPRGKRZSA-N	237.412	4.503	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H](C)CCCC	300978711	TWGDRTPREVEMPK-KKUMJFAQSA-N	227.436	4.747	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](F)c1cccc2c1NCC2	302459894	YIYSJSUUVLGOLA-WFASDCNBSA-N	249.373	4.738	0	10	BJAE	
C[C@@H](CCC(C)(C)C)Nc1cccc(F)c1F	302488121	IOCUAWGKINKEKT-JTQLQIEISA-N	241.325	4.592	0	10	BJAE	
Cc1cc(N)c(S[C@H]2CCC[C@H](C)C2)cc1C	302566220	NTHAHXVSOPDHRQ-GWCFXTLKSA-N	249.423	4.556	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@H](C)CC(C)C	302588875	TZPPEQWDMBNRJB-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(O)C[C@H](C)CC(C)C)c1	305994779	UEIAHEDBYFHGMY-WBVHZDCISA-N	248.410	4.583	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)CCC(C)(C)C)C1	309488852	ZAABPMBKILSPCZ-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC1(C[C@@H](O)C2CCCCCCC2)CCCC1	310438835	VHGYAUBHBQUVMB-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC1CCC(CC[C@H](C)CNC(C)(C)C)CC1	310507882	KYQWCYLSNILMEQ-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](Nc1ccc(C(C)C)cc1)C1CCC1	322261183	HFBZGFLNUJKOQR-MRXNPFEDSA-N	231.383	4.801	0	10	BJAE	
CC(C)c1ccc(NC[C@@]2(C)CCCS2)cc1	327618556	MESNWVZDLCYYJS-OAHLLOKOSA-N	249.423	4.508	0	10	BJAE	
CCCCC[C@H](NC)c1ccccc1C(C)C	379789177	JNOBQRGKGAZMFC-INIZCTEOSA-N	233.399	4.651	0	10	BJAE	
CCCc1ccccc1[C@@H](N)C1CCCCCC1	384641485	LQJOPISQIOPXDY-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1cccc2ccsc12	386287714	GZOXWZGBWUJHCG-SMDDNHRTSA-N	247.407	4.727	0	10	BJAE	
Cc1cscc1N[C@@H]1CCC[C@@H](C(C)C)C1	387294440	IQHBDDPYIUMBQB-CHWSQXEVSA-N	237.412	4.683	0	10	BJAE	
CC[C@H](C)CCNc1ccc(C(C)(C)C)cc1	394462470	SITUIZHMHQBBCY-ZDUSSCGKSA-N	233.399	4.832	0	10	BJAE	
CCC(C)(CC)NCC1(C)CCCCCC1	394639871	UMGZEMUVTYNXMT-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
Cc1ccc([C@](C)(O)CCCCCC(C)C)cc1	394851697	FVUMSHQEZVKZMP-QGZVFWFLSA-N	248.410	4.809	0	10	BJAE	
CCCCCC[C@@H](O)C(CC)(CC)CC	395176969	GKAWELPUZZNWRP-CYBMUJFWSA-N	214.393	4.534	0	10	BJAE	
CCc1sc2c(CC)cccc2c1SC	396176557	GAVQCDJDYMUABM-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCOc1ccc(Cl)c2scc(CC)c12	396188311	KHHADTJOLBXQJO-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc(C(F)F)cc2c(F)csc12	396227469	ZDBZYYLORMZCSV-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)C)[C@H](C)C(C)(C)C	399134739	VTAKXYFMQOASCQ-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)c1cccc(C)c1	400438970	ACWGKRPQWFBUMD-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CC(C)(C)C1CCC([C@@H](N)CC2=CCCC2)CC1	400467227	ORBUPZUWLJDOST-GPANFISMSA-N	249.442	4.667	0	10	BJAE	
CCC(C)(C)CCN[C@@H](CCC(C)C)C1CC1	686307815	XZBZYYGIMKMJJZ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](NCCC(C)(C)CC)c1cccc(C)c1	686312157	HIKAQXMWMFVESD-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCCCCC(=O)c1cccc(C(C)C)c1	688982981	HGXYPIONYFTNLJ-UHFFFAOYSA-N	218.340	4.573	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)[C@@H](C)CC)c1	689593733	BPEWHIKXKJQKCQ-QWHCGFSZSA-N	233.399	4.658	0	10	BJAE	
CCc1cccc(N[C@H](C)CC2CCCC2)c1	689778676	DGROIJVFDFCTSN-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
C[C@H](CC1CCCC1)NC1CCCCCCC1	689804433	DFGVPBIMOOHTLO-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
Cc1c(Cl)cc(N[C@@H]2CC[C@H]2C)cc1Cl	690293590	BEEQBRCCEHRSFS-JMCQJSRRSA-N	244.165	4.512	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCCCC[C@@H]1CC	691096515	AXMQWKQLGLXYDX-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CC1(C)CCCC1	691185889	LYDFVQCPVUYAKU-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1	691761773	UHVCSGHAFIPPFC-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC(C)(C)CC(F)F	694087650	NLDSFMLKWHKNGR-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1CCC12CCCC2	694405670	WRVCTVZVATYYHG-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)CC1CCCC1	696563100	VRKSEBJGNQIEPV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H]2C[C@H]2C(C)(C)C)c1	699766675	GKOHPSHPLDCUIE-HUUCEWRRSA-N	244.378	4.504	0	10	BJAE	
CCCNC[C@]1(CC2CC=CC2)CC[C@@H](CC)C1	700921129	IVNUOMYSPLOBME-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CCC(C)(CC)CC)C(C)(C)C	701153464	FVWDAMYPPHAGOE-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)C1=CCCCCCC1	704593404	XGKOICNCKSXXIZ-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
CCC1CCC([C@H](O)[C@H](C)CC(C)(C)C)CC1	704612478	MUJMZZIIAOBCAF-XSCHDIRWSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(N)CC1CCCCC1	704892519	YNOPDSMHITVLKQ-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
c1cc2cc(N[C@H]3CCCC34CC4)ccc2s1	706547697	ZQKDYNAJDDXNPW-AWEZNQCLSA-N	243.375	4.646	0	10	BJAE	
CCCCCC[C@]1(O)CCCCC[C@@H]1CC	709201339	UJENIFSESFDBEL-GJZGRUSLSA-N	226.404	4.678	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H](C)CC(C)(C)C)c1	709248995	PJCQLEGUYDVZQS-ZDUSSCGKSA-N	232.367	4.558	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H]1CCCC2(CC2)C1	710019868	UIDWQLXUQFTITH-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H](C1CCCC1)C1CCC1	711831084	IJCRMUBGQHZUMZ-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)c1coc2ccccc12	713133412	YCVJVUUQESZTBI-AWEZNQCLSA-N	245.366	4.505	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](CC(C)(C)CC)NC	713174951	LFXSSIAVMBFOIE-HZPDHXFCSA-N	247.426	4.595	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)CC(C)(C)C(C)C	713260212	XZNOXKJIPFNADJ-CVEARBPZSA-N	248.410	4.613	0	10	BJAE	
CCc1ccc(CC)c(NC[C@]2(C)CC2(C)C)c1	717150203	YOQUFHQWIHTCDL-KRWDZBQOSA-N	245.410	4.660	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@@H](C)C1CCCCC1	718685009	BJLRCTHVWPBOGD-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@H](N)c1cscc1C(F)F	720232844	ZAORFGFYZHSOSA-NSHDSACASA-N	247.354	4.656	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)c1ccc(C)cc1	720986508	FLUCSDHYQNFWEA-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@@H]3CCC[C@H]32)c1	722082805	VRFSXIMPDZQEDP-IAOVAPTHSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H](C)CS[C@H](C)c1c(F)cccc1F	1613626925	DDVHYOMTZXJCRY-NXEZZACHSA-N	244.350	4.805	0	10	BJAE	
Cc1ccc(CSc2ccccc2)c(C)c1	1656053228	AFIOEQRTYHHSJE-UHFFFAOYSA-N	228.360	4.596	0	10	BJAE	
Cc1cc(SC(C)(C)C)cc(C)c1Cl	1775954468	KJMRMYWCKASICF-UHFFFAOYSA-N	228.788	4.847	0	10	BJAE	
CC(=CCl)CNc1cccc(C(C)C)c1F	1905168636	CADGVQUVJZUXRN-UHFFFAOYSA-N	241.737	4.504	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC[C@@]12CCC[C@@H]1C2	1908435708	ZIESDDLLAUKQIH-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(OCCC[C@@H]2C[C@H]2C)cc1	1908540388	PPBMPBPRWAMINJ-UKRRQHHQSA-N	232.367	4.625	0	10	BJAE	
CCC1CCC(C[C@@H]2CCCC[C@@]2(C)O)CC1	1909705511	PZOZKXVEMSTVCW-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CC=CC[C@@H](C)c1ccc(C(C)C)cc1	1911888272	VYMSLROOPDSOKH-CYBMUJFWSA-N	202.341	4.880	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C=C(CNC2CC2)C(C)C)C1	1912079941	XLNYTBQOISWSGX-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1[C@@H]1C[C@H]2CC[C@H]1C2	1913385516	AZIQLNUHQDPNCJ-CAOSSQGBSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@]2(N)CCC3(CCCC3)C2)C1	1916436808	JEOHHAJMTZFKHJ-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@@](O)(CC)C[C@@H](C)CC	1919945178	VNTCMGQUABNLRZ-KBPBESRZSA-N	214.393	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1CCC[C@@H](C)C1	1919973800	JLIWUICVCWKKRM-PMPSAXMXSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@](C)(N)c1sccc1Cl	1920193678	LVCNHGZMFAZWCI-LBPRGKRZSA-N	245.819	4.546	0	10	BJAE	
CCC1CC(C(=O)c2ccc([C@H](C)CC)cc2)C1	1921305274	LDDHXDVJETWDET-VEAWUBTESA-N	244.378	4.819	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@@H]1CCCC12CCC2	1921603814	OJAVVPQVRPBPJS-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@@H]1C=CCCCC1	1925738261	TXJDHBDKZKPTQY-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CC(C)NCC1(C[C@H]2C=CCCCC2)CCCC1	1925810565	VSXLXWSEMBJPDS-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](C[C@@H]2C=CCCCC2)NC)C1	1925944720	GFNOJFYMNDEMOY-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CCCC1(C)CC1	1940868785	IIXWEVPIDJPIAV-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](O)(CCCC2CCC2)C1	1941470010	KOAAPBHAUCMZHG-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1CCNc2ccccc21	1942664115	WBOBQLTYCBMUCX-UONOGXRCSA-N	231.383	4.658	0	10	BJAE	
CCC[C@H](CCC[C@@H]1C[C@@H](C)C[C@@H](C)C1)NC	1944203770	OPEAAPJURCMCQL-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC=C[C@H](NCCC)C(C)(C)C1CCCCC1	1944640142	CLXZVILEZMETOS-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
FC(F)(F)c1ccccc1C[C@@H]1C=CCCC1	1947551586	HJPMLCYNDOLHQJ-LLVKDONJSA-N	240.268	4.604	0	10	BJAE	
C1=C[C@H](CCc2nc3ccccc3s2)CCC1	1947562264	OJXGPXHTUQZNJX-LBPRGKRZSA-N	243.375	4.585	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CCCCC12CCC2	1947881724	RQPYVBWXPRWKII-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(F)cc(N[C@@H](C)[C@H](C)CC(C)C)c1	1948326924	NGFRYGXGGNXWDU-OLZOCXBDSA-N	237.362	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1cc(C)ccc1C	1948945940	MALLYDHNXCAGCC-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CC1(C)CCC[C@@](N)(CCC[C@H]2CC2(C)C)C1	1949050474	FHBFKUSWFWIAME-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CCC1=CCCCC1	1949051534	OXFIFYSCQRPPOS-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)CC12CCC(CC1)C2	1950893848	AOUCQZIYUZYWEP-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H]([C@@H](C)CCC(C)C)C1(CC)CCC1	1951243813	LXTJNPRAFARJQU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(C)(C)NCc1ccc(C(C)C)cc1	1962899880	BOELODFUPBQDBI-UHFFFAOYSA-N	247.426	4.724	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@]2(C)C=CCCC2)CC1	1966037439	ILOMHCFYETXSKH-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1CN(CC)[C@@H](C)C(C)C	1966168966	IWBFRBQXLONSFC-HNNXBMFYSA-N	247.426	4.506	0	10	BJAE	
CC(C)[C@@H](C)N[C@H]1CCCC2(CCCCC2)C1	1968369564	WPFHVERQXUARSB-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
C[C@@H](N[C@H]1CCCC2(CCC2)C1)c1cccs1	1968431187	XIXNZDDCUOLXOH-OLZOCXBDSA-N	249.423	4.512	0	10	BJAE	
CC[C@@H](C)N(CC)Cc1cc2ccccc2s1	1969518923	RTEOPVMRKJITOQ-GFCCVEGCSA-N	247.407	4.522	0	10	BJAE	
CC[C@@H](N[C@H](C)C1CC2(CCC2)C1)C1CCCC1	1970935238	VMYOOWVZRCFTCU-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)C12CCC(CC1)C2	1973846878	DGZAGCJNUNRXAU-UIDBIOKJSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCCC12CCC(CC1)C2	1973948339	GPUYIWJTTLQRNH-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cc(C(F)F)cs1	1977079871	YXEUVVGTVZHQIA-LDYMZIIASA-N	247.354	4.512	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC(C)(C)CC	1981006814	FGTVPORRQCJTMJ-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@H](C)[C@@H](C)CC	1990888357	QRQHCGSOWCDAJI-ZNMIVQPWSA-N	227.436	4.712	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1ccc(C)s1	1995263898	SSSDZPGJKMDLND-YPMHNXCESA-N	239.428	4.663	0	10	BJAE	
CC1(C)CC[C@@H]([C@@](C)(O)C2(C)CCCCC2)C1	1995986626	PIBHHPPBFRPPCR-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(CC1CC(C)(C)C1)C1CCCCC1	1996546130	HAHHMRTWPBUWAQ-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)N[C@H](CC)C1CCC(C)(C)CC1	1996594189	KDLUTUGLZMKROH-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@H]1CCC=CCCC1	2000010715	GXTMGDHNCFHGDE-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CC[C@H](C)C1	2000188802	LZEXJZGVUXRLRJ-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@H]1CC12CCCC2	2001272478	TVVAOKPCHVWMAC-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CCC([C@@H](N)CC2(C)CC2)CC1	2002502874	AUBUCTJDRHMWRP-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CCCC(C)(C)C)C1	2003012857	CNYZPTJNWKFQRJ-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H]2CCCCCCC[C@@H]2O)C1	2003116849	LNOHTTCNXIGFKE-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
N[C@@H](CC1=CCCCCC1)c1ccccc1Cl	2003683151	LJPPYBDQBQDJTN-HNNXBMFYSA-N	249.785	4.620	0	10	BJAE	
CC1([C@H](N)CCCC2CC2)CCCCCCC1	2004922702	JYCOIDQGZUKUNV-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CC[C@H](N)[C@H]1CCCCC12CCC2	2005592906	WRJRJRWETGTWMY-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCC[C@H]2F)c1	2006676278	GOZKYSVVFBGQQR-CABCVRRESA-N	235.346	4.503	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1CC(C(C)C)C1	2007753980	KMABWRZNTWAQGW-UYSNPLJNSA-N	239.447	4.604	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CCC[C@H](CC)CC1	2009568279	AWVYVUWZRJRGQD-GJZGRUSLSA-N	236.399	4.908	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H]1CCCCCC12CC2	2011271788	MXTINIYJXNHPNV-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)C(=O)CC12CCC(CC1)CC2	2012804365	RDLLQBZPGCKCSP-HLIUYOAVSA-N	236.399	4.742	0	10	BJAE	
CC(C)C(CC[C@]1(N)CCC[C@H](C)C1)C(C)C	2015348434	WEVWUKVWRIYRFS-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](CNC(C)(C)C)C[C@@H](C)C(C)C	2015399576	OFTXCLWBWZNFDB-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CC(=O)C2C(C)(C)C2(C)C)CCC1	2015597738	KJVYCJIWBHFBTO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](N[C@H](C)CCC=C(C)C)C1CCCC1	2016144891	MEXPLFUGWNBEJC-ZBFHGGJFSA-N	237.431	4.680	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CC[C@H](CC)C1	2017486580	LEULIGFHJDECAN-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(CC2(N)CC(CC)C2)CC1	2017731333	QGGMTKHWRJOQOW-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)C[C@H]1CC[C@H](C)CC1	2017739927	XYMAWCHBIFUVEW-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(F)cc1F	2018128133	VSPVFJHOPMLETI-GFCCVEGCSA-N	241.325	4.736	0	10	BJAE	
CCCC1CCC([C@@H](O)CC2(CC)CC2)CC1	2018967808	OFTNKCYWIZFPNA-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H]1C=CCCCCC1	2019126252	JNFNCLYJWZPPOC-HOTGVXAUSA-N	237.431	4.632	0	10	BJAE	
CCC(CC)N(C)[C@@H]1CCC2(CCCCC2)C1	2019297123	HMPKVRZGSQTXAE-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
C1=C[C@@H](N2CCCCCCCCC2)CCCC1	2019531142	ANMMJTOQWNOKFN-MRXNPFEDSA-N	235.415	4.532	0	10	BJAE	
CCC[C@](N)(CCC1=CCCCC1)C(C)(C)C	2019864670	AVSNCMCIRDXZEV-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@@H]1C[C@@H]1C(C)(C)C	2022452616	YKWKXCDFJXCVBF-DZKIICNBSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(F)c1ccc(N)cc1	2027937234	XQUABCFRDFJNJZ-WQVCFCJDSA-N	249.373	4.670	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1C[C@@H]1C1CCCC1	2028461433	IVNIHSCJENVHCX-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
O[C@H](CCCC1CCC1)c1ccc(C2CC2)cc1	2028494596	AOJQFZINVXMGJG-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC1CC2(CCCCC2)C1	2028876529	BSQIWVOMMPJIMU-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CN[C@@H](c1cccc(C)c1C)[C@H](C)CCC(C)C	2029821172	RLXRWLKJLGAGPL-RHSMWYFYSA-N	247.426	4.636	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](N)[C@@H](C)CCC(C)C	2029823779	JHAPCZDUPLGNAN-USXIJHARSA-N	247.426	4.580	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc(C2CC2)cc1	2035422987	LYNZHWIALOGYRW-WBVHZDCISA-N	243.394	4.945	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@H]1CCC[C@H](C)C1	2035597995	DMTHEILNOAGPQU-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1CCC1)[C@@H]1CCC2(CCCC2)C1	2037579547	JOEXHCUEIDXVGD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@@H]1CC[C@@H]2C[C@H]2C1)CC1CCCCC1	2038168394	YWUWKDOCYGRRJS-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1(N)CC2(C1)CC1(CCC1)C2)C(C)(C)C	2039462688	WEZFUMFZVGEONX-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C)C1(CC)CCC1	2039720375	RGFMZGWXTJMOMJ-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC[C@H]2CC=CCC2)CC1	2041385455	BQBNIRYKHQZMIP-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CCC[C@H](Nc2cc(C)ccn2)CC1	2041499866	QURFRMVJNFXTRK-GJZGRUSLSA-N	246.398	4.551	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H](C)C1)C1(C)CC=CC1	2042019394	NSTNNZIOGBUISH-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@@]1(C)CC=CCC1	2042019835	RQBIHMHIGRMTEN-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@]2(C)CC=CCC2)C1	2042086676	ITDKTCGQNJUZTG-WBTNSWJXSA-N	248.410	4.764	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)CC1=CCCCC1	2043188119	RCHSCMWOIBMNQS-DJIMGWMZSA-N	249.442	4.824	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H](C)CC2=CCCCC2)CC1	2043192253	UFVXEUCYKOEPHJ-INMHGKMJSA-N	249.442	4.824	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@H]1C1(N)CCC2(CCCCC2)CC1	2045672932	ZHDRSOBZBDQKPY-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CCNC2CC3(CCCCCC3)C2)C1	2046232980	GOPRKCKWQRRNEF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CC(NC2CC3(CCCCCC3)C2)C1	2046236107	RBGRMXGFCZQYGG-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C(=O)[C@@H]2C[C@@H]3CCCCCC[C@H]32)C1	2047423895	FTUSBTQZNOQKEE-NWANDNLSSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CN[C@@H]2C[C@H]3CCCCCC[C@@H]32)CC1	2047435477	WPXYQVLEMOYGSY-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)C[C@H]1CCCC2(CC2)C1	2049866591	PSSXNPRCZOGTPH-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCC1CCCCC1)c1cccc(F)c1	2050494897	NNYVPOLBFWWUBS-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1c(C)oc(C)c1C	2051409275	POHFMUSFMAFMIL-OAHLLOKOSA-N	249.398	4.602	0	10	BJAE	
CCC1(C)CCC(NCC2(C3CCC3)CC2)CC1	2051918965	UYYHUOHXQLOJHP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1(C)CCC1)[C@@H]1CCCCC12CCC2	2053413053	SAAKUQCVXIGKLI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](NCC)c1ccc(C)c(C)c1	2059226316	YBBDIKCSEYWBJR-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
C=C=CC[C@H](C[C@@H]1CCC=CCCC1)NCCC	2059446581	JLGFIAMSTPJLCA-IAGOWNOFSA-N	247.426	4.612	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCCCCC12CC2	2062016128	DMDHOPWNSZEGGA-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CC1(C)CC2(CC(C(=O)C3(C)CCCCC3)C2)C1	2063807675	KKXKMTVSGGHING-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CC1=CCCCC1)CC12CCC(CC1)CC2	2065307433	HAKCRNKXKXVEGA-WIHSUSGWSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CCCC1CC1)CC12CCC(CC1)CC2	2065332092	CAJGNHGMFWBYIR-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CCC=CCNC1CCC2(CCCCCC2)CC1	2065897274	NVHPJEOWWSSGSX-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC(C)Cc1ccc([C@H](N)C[C@@H](C)C(C)C)cc1	2069008869	PZFHLSPPWYYLMI-RHSMWYFYSA-N	247.426	4.567	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2069343134	WLIWKBSEUHPCSG-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2cccc(C)c2F)CC1	2072793367	JMSNQZQCWKIZHJ-HDJSIYSDSA-N	249.373	4.762	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2C[C@H](N)C23CCC3)CC1	2072816441	VJWACTLHZWFKQL-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC[C@@]12CCCC[C@@H]1C2)CC1CCCCC1	2074027409	AOPWURKUQOBPBO-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CCCC3(CCCC3)C2)C1	2074888351	KAYKNSJWLRKING-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CN(CCC1=CCCCC1)[C@H]1CCCC2(CC2)C1	2075154944	WRDASKNJAPJTDC-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
Nc1cccc(C=Cc2ccc3ccccc3c2)c1	2112033380	AKVOBEYVNQNUHD-UHFFFAOYSA-N	245.325	4.592	0	10	BJAE	
Cc1sc([C@@H](O)CCCC(C)C)c(C)c1C	2211703043	WEPJXQVREUHLHU-ZDUSSCGKSA-N	240.412	4.533	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)c1scc(C)c1C	2213674192	CATJVIAFRCLAEU-GXFFZTMASA-N	248.391	4.540	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CC)[C@@H](C)CCC	2215252158	MXWPBZINVTYZHU-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCC1CC(CN[C@@H](C)CC)([C@@H](C)CC)C1	2217155411	CDEAMGYNPWUWBC-FXQLRMTLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218377686	JCAXDMUOWSOZPF-OTJKEOIZSA-N	248.410	4.598	0	10	BJAE	
NC1(CCCCCCC2CC2)CC2(CCCC2)C1	2218722220	ZFKMHLHFOJUKNW-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCCC1(CNc2ccnc(C(C)C)c2)CCC1	2220882789	LRXTXHIZJMVHMG-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2220962610	QHKZQBTWZCGUCS-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)c2c(C)cccc2C)CC1	2221925815	VNGNJNXDIAEOOR-QGZVFWFLSA-N	242.362	4.623	0	10	BJAE	
CCC1(C(=O)C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	2222955442	SZBOYDDWUPXSME-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
NC[C@@]1(CCCCCCCC2CC2)CC=CCC1	2223106153	QZOBJUHDTIOBTG-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
C[C@H]1CNCCCC1=CCCCCCCC1CC1	2223111616	VQPUGBAFRAPNRW-HNNXBMFYSA-N	249.442	4.683	0	10	BJAE	
C(CCCNC[C@@]12CCC[C@@H]1C2)CCCC1CC1	2223151657	DJNUUGZONUFWMK-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cccc2ccoc12	2224192635	UDTVHDAZRAGRPL-UHFFFAOYSA-N	242.318	4.752	0	10	BJAE	
CCCC(=O)CCCC[C@H]1CCC[C@H](C)C1	2242770499	PPXHCIJHVHHWBF-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cccc(C)c1Cl	2244775109	KSSNHMBSPUGYHC-SMDDNHRTSA-N	240.774	4.508	0	10	BJAE	
CCC[C@H](C)[C@H](CC[C@H]1CCC[C@@H](C)C1)NC	2246723582	AJSMVENXAUFJSH-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C1(C)CCCCC1	2247174481	GMLPXRUMJODUDY-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CCC12CCC2)C(C)(C)C	2247398938	OCKHMLHNGJTKPD-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)c1csc(C2CC2)c1	2248045125	RZADHPPHZKPPPT-OAHLLOKOSA-N	249.423	4.632	0	10	BJAE	
CCCN[C@H](C1CC(CC)C1)[C@@H](CC)CCC	2250372296	OXTZCAFNRMLJNZ-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@H](N)CC[C@@H](C)CCCC(C)C	2250479176	QSDYSEWJZDRCQT-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CC[C@H](O)CC[C@@H](C)CCCC(C)C	2250484039	BVKFFXQAHCYFAI-HOTGVXAUSA-N	240.431	4.946	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@]12CCC[C@@H]1CC2	2251118425	NDVXPNSIHSGZPP-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCC(C)(C)C2=O)C1	2251712116	LTSVXTAGKHTHRJ-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H]2CN[C@H]3CCCC[C@H]3C2)CCC1	2253815454	IZDWJHHQUIUSFI-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CCCC23CCC3)C1	2253933801	ZBFVOPWJTPAZTP-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1(NCC2CC3(CCCC3)C2)CCCCCC1	2254074624	ZHCNXTLUKRFKNZ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@H]1CCC12CCC2	2254843642	IIICRKJHIVNLCN-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@H]1CCC12CCC2	2254968345	KDJSKBQPNSBAEA-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
O[C@]1(CC2=CCCCC2)CC[C@@H]2CCCC[C@@H]2C1	2255057492	JZUFXPRHMVXPMW-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNCC2=CCCCC2)CC1	2255099889	MDTMMBSIUYOMLL-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@H]1CC1=CCCCC1	2255137195	NDMXFCJHSCGIQV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(=CCCCC[C@H]1C[C@H]1C)C1CCC(N)CC1	2257238051	BIZWORWXMHWRIX-GYXIZQIFSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(N[C@@H]2CCC3(CCC3)C2)cc(C)c1C	2258231727	RKPHXCXJYUMHDT-OAHLLOKOSA-N	243.394	4.747	0	10	BJAE	
Cc1cc(NCC[C@@]23CCC[C@H]2C3)cc(C)c1C	2258244567	JLHOFCFYOKDXHM-DOTOQJQBSA-N	243.394	4.604	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@@]12CCCC[C@H]1CC2	2260491443	WAYWLHHHHGMORQ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@@]12CCC[C@H]1CC2	2260581321	DEEZRPNBWIQXDU-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1CCC(CN)(C[C@]23CCCC[C@@H]2CC3)CC1	2260679019	OWGUSTJBYCKWMJ-MNAZLIDISA-N	249.442	4.502	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CCC[C@H]1C(C)C	2300680009	YYQJVXGLESNHOT-JYJNAYRXSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@@H](CCC(CC)CC)C1	2300686480	RDTCARRQQXKCDZ-OWCLPIDISA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@H]1CC[C@H]2CCCC[C@H]2N1	2300697736	RZIYULLKOPSJCC-BZUAXINKSA-N	237.431	4.514	0	10	BJAE	
CCC(C)=CCC(=O)C1(C)CCC(C)(C)CC1	2300907877	XINLDMKOTRNGCC-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC1CCCCCC1	2301144353	CPTMTTFMZNBXCU-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
Cc1cccc(C)c1OCC1CCCCCC1	2301146863	CZGTWAQLUIEMKR-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H](C)[C@@H](C)C(C)C	2301836781	OWEGLSDKYUCKLR-QKPAOTATSA-N	241.463	4.719	0	10	BJAE	
C[C@@H](N(C)CCCC1=CCCCC1)C(C)(C)C	2302354297	PIEFCLFZDAELAN-CQSZACIVSA-N	237.431	4.633	0	10	BJAE	
CCCC(CCC)CNCCCC[C@H]1C[C@@H]1C	2302636417	RXHMVJMTOKEJGF-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
Clc1ccc(NCC[C@H]2CC[C@H]2C2CC2)cc1	2303163123	YTQKGVOUXMVVDD-DOMZBBRYSA-N	249.785	4.578	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2C(=O)CCC[C@@H]2C)CC1	2303519994	FZRNNKAUZJEXKJ-NWANDNLSSA-N	234.383	4.518	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)CCC(C)(C)C)CC1	2303577526	NJSYCVAJYSAWOH-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CCCCC1(NCC[C@@H]2CCC(C)(C)C2)CC1	2304359841	HYPFLGZNMUFQBN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc(C2(C)CCCCCC2)n1	2307694764	OMYXUIFCWNJXFQ-NEPJUHHUSA-N	249.423	4.878	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	2307764128	UDMUNWDUEQBMFT-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC[C@H]1C[C@H]1C)NCC	2307907201	KFYSXRRRLQOCKQ-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)n1C[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309186525	RIQZLKJJIPISKS-BBWFWOEESA-N	245.410	4.711	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@]12CCCC[C@H]1CCC2	2310425885	KELONUROYRJTIT-AIANPOQGSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2C[C@H]2C2CCCCC2)C1	2311537490	QLZDTYYQJOZXGO-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	2311615528	RLOAVUSYJUSIET-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@@]12CCCC[C@@H]1CC2	2313335237	VOADEPLLLDRFCQ-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
CCc1cc([C@H](CC(C)(C)CC)NC)ccc1C	2314690092	PFFDWJUSKYWHOC-INIZCTEOSA-N	247.426	4.644	0	10	BJAE	
CCc1cc(C(=O)C2(C)CCCCC2)ccc1C	2314697612	QFCPVCSKYZDJKO-UHFFFAOYSA-N	244.378	4.711	0	10	BJAE	
CCc1cc([C@@H](O)CCC2CCCC2)ccc1C	2314703367	WFFZVRRFEORFFF-KRWDZBQOSA-N	246.394	4.561	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCC[C@@H]1C[C@H]1C	2315871738	JGAZTLGQNOIFFX-GDBMZVCRSA-N	245.410	4.967	0	10	BJAE	
CCN[C@H](C[C@@H](C)[C@H](C)C(C)C)c1ccccc1	2317827917	OOHIKGLUTOQNAV-BFYDXBDKSA-N	247.426	4.656	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C[C@H]1CC12CCCC2	2317965618	ZNSJBXWYSLQFSH-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](N)CCCC2=CCCCC2)C1	2318543671	RHFABXLUYFXMRU-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
C[C@@]1([C@@H](N)CCCC2=CCCCC2)CC=CCC1	2318570362	XMRXJOXVPQSYKB-DLBZAZTESA-N	247.426	4.731	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)[C@H]1CCCC12CC2	2318588414	ZHRRRKSOGWJZAO-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)CC1=CCCCC1	2318588568	HQKBVAHPXBYDGU-QGZVFWFLSA-N	248.410	4.909	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)C1CC=CC1	2318597530	MACCOCBGNPSDMM-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1C(=O)CC1CCC=CCC1	2320152653	NEVNTNSCTIXGGG-GJZGRUSLSA-N	248.410	4.764	0	10	BJAE	
CCc1cccc(C(=O)[C@H]2CC[C@H]2C(C)(C)C)c1	2320153446	HPIHYRWHDYANIS-LSDHHAIUSA-N	244.378	4.504	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@H](C)C2CCCCC2)CC1	2320263161	KALUACGJGFVPPQ-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CCC[C@@H]2C[C@@H]2C)CC1	2320415143	XVTQUXQDLVSYHD-YLFCFFPRSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)c1cccc(C2CCC2)c1	2320656019	YABVAXONKJYHOT-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C2CC(C3CC3)C2)C1	2321619107	JASMXYAGPRVUEF-GRTSSRMGSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(CN)CC23CCCC3)C1	2321623086	VFMJCZTVLBJDRH-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2C[C@@H]2C(C)C)c1F	2327778327	OAMMWLWBZQLBRI-GXTWGEPZSA-N	249.373	4.653	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCC[C@@H]1C	20553666	BIGOQFJFFTWHDP-DZGCQCFKSA-N	231.383	4.801	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(C)cc1C	20560291	DBKQWPOGHVWGCP-AWEZNQCLSA-N	219.372	4.684	0	10	BJAE	
CCCCc1ccc(-c2ccc(C=O)s2)cc1	36984554	MLYMKSSWDLRZCO-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CCCC[C@H](C)N[C@@H](c1ccccc1)C(C)C	37281121	LUDQLTITKFANJF-GOEBONIOSA-N	233.399	4.552	0	10	BJAE	
Cc1ccc2nccc(Nc3ccccc3C)c2c1	41054753	OBWLACBAKAFGQF-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc2[nH]ccc2c1	69371040	OFTANBMVSQMCCZ-ZDUSSCGKSA-N	230.355	4.549	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)CCc1ccccc1	69371124	WJAZFWSVGUNEQR-NVXWUHKLSA-N	247.426	4.566	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)Cc1ccccc1	70941652	OLXHESIWZQELPK-HOTGVXAUSA-N	247.426	4.566	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(SC)cc2)C1	71104967	NURONCWVRLQIIW-JSGCOSHPSA-N	249.423	4.789	0	10	BJAE	
Cc1ccc([C@@H](C)NC2CCC(C)(C)CC2)cc1	79627102	OAAPKWAXQIWYPS-CQSZACIVSA-N	245.410	4.614	0	10	BJAE	
CNc1cccc(-c2ccc(C(C)(C)C)cc2)c1	84054041	XORRLGWVDNQGOB-UHFFFAOYSA-N	239.362	4.693	0	10	BJAE	
CCCC[C@H](CC)CC1(CNCCC)CCC1	87411439	VBQPRAXFYCSDDQ-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCCCCC(C)(C)Cn1c(C)ccc1C	94991942	QXAWSUOHTHFWLG-UHFFFAOYSA-N	221.388	4.711	0	10	BJAE	
CCCCCC[C@]1(N)C[C@H](C)CC[C@@H]1C(C)C	103933631	NIDOXEUCKIIKQZ-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCC(=O)c1cccc2ccccc12	103944569	LHWWTCDMZVPHSM-UHFFFAOYSA-N	240.346	4.849	0	10	BJAE	
CCCCCC[C@](CC)(CNC)c1ccccc1	104020198	SSVREGPYSCTDIK-QGZVFWFLSA-N	247.426	4.524	0	10	BJAE	
CCCCCC1(CNC(C)(C)C)CCCCC1	110465044	FHCOOHZIBDSBRH-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
Cc1cc(C)c(OCc2ccccc2)c(Cl)c1	113869782	GRTIRVMXTNURJB-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@H](C)CC)NCC	126298025	VIDMQALLQVTUOU-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccccc1C1CCC1	128273530	ZKCNYXXJAANBEQ-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CCCCC[C@H](NC)c1ccccc1C1CCC1	132662343	OLCUKFUWLVWLKF-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CCCN[C@H](CCC(C)C)C1(CC)CCCC1	158744945	XIDQGSUAHLMYRB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc2ccccc2c1C(=O)[C@H](C)C(C)C	160830989	OQOXKMVNTVYWHG-CYBMUJFWSA-N	240.346	4.623	0	10	BJAE	
Cc1cccc([C@H](N)CCC2CCCCC2)c1C	163463108	COJOVRGOLITLKZ-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cccc2ccccc12	163727811	PNGTURMDQXNBJZ-BBRMVZONSA-N	239.362	4.830	0	10	BJAE	
CSc1ccc(C2(C)CCCCC2)cc1	204996793	BMEHSNOQLCMDEN-UHFFFAOYSA-N	220.381	4.630	0	10	BJAE	
CCC[C@]1([C@H]2CCC[C@@H](C)C2)CCCCCN1	218180924	PASISBQAJZZFPB-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C(=O)[C@@H]2CCCCCCCCCC[C@@H]12	225147875	CTIBTCIYJOHPPQ-SOUVJXGZSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@@H]1CCCCC1(C)C	226819199	VBUHRMGQONQLRF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)Nc1cc(F)ccc1Cl	231813853	KWSAZUQMMXCKMT-JTQLQIEISA-N	243.753	4.860	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccc(C(C)(C)C)cn1	232566004	IPUUJARSIBSRGK-CYBMUJFWSA-N	248.414	4.616	0	10	BJAE	
CCC1(CNC[C@@H]2CC(C)=C[C@H](C)C2)CCCC1	233050153	SYEBCQNJGYWWTP-HOCLYGCPSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)C[C@H](C)Nc1ccc(C(C)(C)C)cn1	233835998	UKJJOBITJWDKKC-OLZOCXBDSA-N	248.414	4.616	0	10	BJAE	
C[C@@H]([C@H]1CNc2ccc(Cl)cc21)C(C)(C)C	235314426	UFLLJYJZFWTBPT-JOYOIKCWSA-N	237.774	4.531	0	10	BJAE	
Fc1cc(F)c2[nH]cc(CC3CCCCC3)c2c1	236203280	HGSVAOBLWRSESY-UHFFFAOYSA-N	249.304	4.569	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](C)c2cc(C)ccc2C)C1	251466539	BBIDOZQACDGVIK-OAGGEKHMSA-N	245.410	4.533	0	10	BJAE	
N#Cc1ccc2ccccc2c1C1CCCCC1	260408520	BRILVAMTLZGGIY-UHFFFAOYSA-N	235.330	4.759	0	10	BJAE	
CC[C@@]1(CCCC(C)(C)C)CCCCCN1	300793301	CTSBFVAZLYFQIK-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@@H](C)C2)c1Cl	300838501	DTKFWVXJZXRZAU-ZYHUDNBSSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cc(C)c(Cl)s1	300912293	KCSBMJNKMYOFLU-GZMMTYOYSA-N	245.819	4.536	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCCC(C)(C)C)C1	300914068	SJMNHVDZRGZTDO-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C)[C@H](CCCC(C)(C)C)NCC	300964629	YWRCSVDHUSVGFC-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC1([C@@H](O)CCC2CCCCC2)CCCCC1	302244858	HTMRGKHETOVAOV-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1cccc2ccccc12	305926156	IVIIQFKOIZXGFV-SUMWQHHRSA-N	242.362	4.555	0	10	BJAE	
Fc1ccc2c(ccn2CCC2CCCCC2)c1	305980137	REBHILIRVYWUAZ-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
Cc1cc(Cl)c(C(F)F)c2ccsc12	306929898	CVEFJVDWTWZEMG-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@@H](CC)CC(C)C	308053339	ADSFKHXMTPGARR-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCC1(COc2cc(Cl)ccc2C)CCC1	309340117	KXNFBEXJOBKRSF-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H](C)C1)CC(C)(C)C	310109526	DXOIKIYTKHNUNQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NCCCCCCC(C)C)C1CC1	310207515	FIMCKPYTGUZLDG-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@@H](n2ccc3c(F)cccc32)CC[C@H]1C	310557617	SRIHSIWFNLCGLL-AGIUHOORSA-N	245.341	4.778	0	10	BJAE	
C[C@@H](C[C@H](N)CC1=CCCCC1)C1CCCCC1	311209039	KMBZSJCFWVYHEV-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@H](C)C1CC1	311241091	WOZLPSYWQBGDCS-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(C)CCC[C@@]1(C)O	313179079	RTXSSRRRDFBULP-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@@]1(N)CCC[C@H](C(C)(C)C)CC1	319537781	FQNBDWLVYRQZBY-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C)[C@H](C)n1ccc2ccc(C)cc21	319737336	XJBPYSHFISUARN-OLZOCXBDSA-N	215.340	4.557	0	10	BJAE	
CC(C)(C)[C@H](N[C@H]1CCCC12CCCC2)C1CC1	324236765	IDUMNSCVEKJORN-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H](C)CC(C)C)CC1	328376562	XVOKGLMGJKAISU-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H](C)CC(C)C)CC1	328376563	XVOKGLMGJKAISU-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
C[C@H](CNc1ccc2sccc2c1)C(C)(C)C	383092136	XLAMIYSPCYCJQF-LLVKDONJSA-N	247.407	4.995	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCCCC1=O	383347590	CUMGXGRWEOUHDH-CQSZACIVSA-N	224.388	4.742	0	10	BJAE	
CC(C)(C)[C@H](N[C@@H]1CCC1(C)C)c1ccccc1	385112755	ATUYRGUGBZVIBW-HUUCEWRRSA-N	245.410	4.552	0	10	BJAE	
O[C@H](c1ccc2sccc2c1)C1CCCCC1	386522524	FCXGOLLHTSJQLK-HNNXBMFYSA-N	246.375	4.515	0	10	BJAE	
C[C@@H]1C[C@H](N[C@H]2CC23CCCCC3)CC(C)(C)C1	387266077	LOZNBLRHOPXCKD-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
Clc1cc(Cl)cc(NCCCC2CC2)c1	394501547	QQBOWEQUBGQPNK-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CCc1cc(C)c2sc(C(F)F)cc2c1	396216524	HBRMWLOTDXWYGB-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
Cc1cc(S)c2cc(C(F)(F)F)sc2c1	396312808	XMKYMYOVICHYNN-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CN[C@@H](C[C@@H]1CC=CCC1)C1CCCCCCC1	402129680	FJKYOEIDHLDVKM-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
c1ccc2c(c1)CC[C@@H](c1coc3ccccc13)N2	404325977	VAARTYBKVHRJJV-INIZCTEOSA-N	249.313	4.532	0	10	BJAE	
Fc1ccc(-c2cccc(CC3CCC3)c2)cc1	584880892	QQIBJFDOJFUGGK-UHFFFAOYSA-N	240.321	4.835	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CCC[C@H](C)C2)c1	689615898	WEGIQBLLLMMIBG-XJKSGUPXSA-N	245.410	4.802	0	10	BJAE	
CC1CCC(C(=O)C[C@H]2CC3CCC2CC3)CC1	691705310	TZWRSUOARISSTP-QIWHZVNUSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1cccc(C(C)(C)C)c1	691712465	OUKUTIFBZMPTLH-HEHGZKQESA-N	248.410	4.700	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@H](C)C1CCC1	692692589	JGHBQHPOCWNZEY-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CCC(C)(C)CC(=O)Cc1c(C)cc(C)cc1C	697198398	MZRJWZICMFDENP-UHFFFAOYSA-N	246.394	4.550	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)(C)C)C(C)(CC)CC	701231838	NOMARCLSBCLLBP-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CC(C)(C)C1CC1)C(C)(CC)CC	701252268	PPFAETUFNVNXBQ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@@]1(C)CC1(C)C	702162669	WJQGDJVMKPWUQM-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)c1ccc(C2CCC2)cc1	702218483	IFXPZKXAWMTJDI-KRWDZBQOSA-N	242.362	4.573	0	10	BJAE	
CCC[C@H](NCC[C@@H]1CC=CCC1)[C@H]1CC1(C)C	706891639	XNCDTILJPWMPKK-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CC(C)(C)C)C1CC1	709107855	ZEVJKYWVZCBIQH-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@H](C)C(C)(C)C)CC(C)(C)C	709132366	RDQPFQXYYDOKCS-NEPJUHHUSA-N	226.404	4.700	0	10	BJAE	
C[C@H](NC1CCC(C)(C)CC1)[C@]12CCCC[C@@H]1C2	709155611	SYWBDNMMFYOVAE-JJRVBVJISA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@H](C)C(C)(C)C	710744430	JJIYXRUOSKIBCG-TZMCWYRMSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H](C[C@H](O)CCCC1CCC1)C(C)(C)C	711050149	HANGDRQYPDUAKK-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CCNc1ccccc1Cl	711271167	JCVJKLVUMUFRQY-UHFFFAOYSA-N	225.763	4.578	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CC(C)(C)C(C)C	713127430	HOCGOUVTANWKLA-LSDHHAIUSA-N	242.447	4.882	0	10	BJAE	
CC(C)(C)C[C@H](N)C1CCC(C(C)(C)C)CC1	713262692	FZLZEQMRBONZRR-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C)cc(C(=O)CC(C)(C)C(C)C)c1	713364760	DWQZAIJWAVSVBF-UHFFFAOYSA-N	232.367	4.558	0	10	BJAE	
C=C/C=C/CCOc1ccc([C@@H](C)CC)cc1	713739970	SJJDQWNXFWUGKL-UZYOAWRESA-N	230.351	4.711	0	10	BJAE	
C=C/C=C\CCc1ccc(Cl)cc1Cl	713741708	ZOMXGLQPKDJEIG-ARJAWSKDSA-N	227.134	4.668	0	10	BJAE	
N[C@@H](CC1=CCCCC1)c1ccc(C2CC2)s1	716554468	DNBMMTQYDLFZHG-ZDUSSCGKSA-N	247.407	4.516	0	10	BJAE	
CC(C)=C(C)CCNc1cc(Cl)ccc1F	718643940	OILBSEDKJVHKEU-UHFFFAOYSA-N	241.737	4.637	0	10	BJAE	
CNC[C@]1(CCC(C)=C(C)C)CCCC[C@@H]1C	718739747	OGQXFKCLIGSFSG-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CCC(C)(C)CC1	719151698	NTEMKZQAQLGIPR-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@H](C)N[C@@H](CC)CC1CCCCC1	720941245	VOQQVWWHLJQFTC-HOCLYGCPSA-N	239.447	4.904	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C(C)(CC)CC	721773456	QTLFWRKFWIPQKR-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)[C@H](CC1CC(C)(C)C1)NC	723568345	ORDDTPBRNDKTKX-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CC2CC(C)(C)C2)cc1	723597001	HJHKZULRRQNCQW-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](C)CCNCC(CC)(CC)CC	1462549438	UVBXYPYGMCWOGL-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
C/C(=C\Cl)CSCc1ccc(F)cc1C	1652796875	HJXVMFDIJMOIMW-RMKNXTFCSA-N	244.762	4.510	0	10	BJAE	
CC(=CCC[C@@H]1CCOC1)CCCC(C)C	1900897236	HMWPHETXLXTKAZ-OAHLLOKOSA-N	224.388	4.576	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCC[C@@H](C)C1	1905303241	JHPJKTVAMYSXRQ-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)C(=O)C[C@@H]1C[C@H]1C1CCCCC1	1910807404	HJKWOLAFOOZVRR-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1C=C(CNC(C)(C)C)C1CCCCC1	1912054861	FCIJJFDIRSVNSI-DZGCQCFKSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)CC1(O)CC2(CCCCC2)C1	1912712064	HPXIITNKBPYQIN-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3C[C@@H]3C2)cc(C)c1Cl	1917353676	DKDVIETWVZIYPB-YNEHKIRRSA-N	249.785	4.557	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H](C)C1CCCCC1	1919539368	SBTNJCMKCAAREF-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)CCc1ccccc1	1920461609	OJSBFKKDLUZNCY-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
CCC[C@@H](C)C[C@](N)(CC(C)C)c1ccccc1	1920483130	AKMHMYWXGAQKBE-NVXWUHKLSA-N	247.426	4.713	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@H]1C=CCCCC1	1925890877	HOQWAAFSPFMBKP-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)C[C@H](CC1(C)CCCCC1)NC	1940414052	HRHCMIXZMSXMST-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CC[C@@H]1CC1(C)C	1940854990	BUPGKAJKSYGAHF-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(O)CCCC1(C)CC1	1940875831	JTBYNVQJCKONGC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@]1(CNCCC)CC=CC[C@@H]1C	1940954928	YGDHNZUTIDRWIO-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
c1cc2cc(N[C@@H]3CC[C@@H]4CC[C@H]43)ccc2s1	1941027072	HFAKFIRWWASMEW-ZLKJLUDKSA-N	243.375	4.502	0	10	BJAE	
CCCN[C@H]([C@H](CC(C)C)C(C)C)C(C)(C)C	1941266495	GIMHBCNSBXFYBF-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@@H](C)n1ccc2ccc(F)cc21	1942661498	NHUQSOIDMRAUBI-GFCCVEGCSA-N	233.330	4.778	0	10	BJAE	
CCC[C@@H](CC)N[C@@H]1CC(C)(C)CC2(CC2)C1	1943081639	AMRULMOMCDAISD-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](N)c1cccc2sccc12	1945962392	SXBJRWBUODSBFN-AWEZNQCLSA-N	247.407	4.872	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C=CCCC1)CC(C)C	1947594331	XDJSCMZHRFJVCG-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C1=CC[C@H](NC2CCCCCCCCC2)CC1	1947880556	GXGVJLLGSQSCEG-INIZCTEOSA-N	235.415	4.578	0	10	BJAE	
CC1(C)CC(C(=O)C(C)(C)C2CCCCC2)C1	1948270352	SZCVLPCESHGVSL-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H]1CCC[C@@H](C)C1	1948992879	BHJBBOOBTDTYMP-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CC1CCC=CCC1	1949081875	WQCSZWVDTABLQK-GOEBONIOSA-N	237.431	4.523	0	10	BJAE	
CC[C@](O)([C@@H]1CCC2(CCCC2)C1)C(C)(C)C	1949431149	AWEMYEXONNLIHZ-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@@H]2CCC(C)(C)C(=O)C2)CC1	1949655558	GITISJHJWYXSOE-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
Cc1ccccc1N[C@H](C)CCCC(C)C	1968252929	VVYZJJADRDGNCS-CQSZACIVSA-N	219.372	4.622	0	10	BJAE	
C[C@H](NC1CCC(C)(C)CC1)C1CC2(CCC2)C1	1969737982	DOEWRMMTZCPXCY-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)N(CCCC1(C)CC1)CC(C)C	1971358695	GOMGIABXGQJUMH-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CCCC2(CCC2)C1	1973315749	MFVNVZRJQREUTE-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)NCC1(C)CC(C)(C)C1	1973670075	FUUUDARVTKLKNQ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)NC[C@H]1CCCCC12CCC2	1973671468	CTFGPXTUCKYWFS-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)c1ccc(C)s1	1978537181	BPLBZUBMJHKZLR-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)CC(C)=CCl	1978639223	TWNUPYRRVWXTDP-UHFFFAOYSA-N	245.838	4.714	0	10	BJAE	
C/C=C/CCCCC(=O)c1ccc(Cl)cc1	1984592890	IYBGFKDHECRFOE-NSCUHMNNSA-N	236.742	4.659	0	10	BJAE	
C/C=C/CCC[C@H](CC(C)(C)C)NCCC	1984640339	QGVWJQPCSNBRGA-IZPAUZPXSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)CN(C)[C@@H](CC)CCC(C)C	1986966517	FKVDHSZQTKPFRX-HNNXBMFYSA-N	227.436	4.569	0	10	BJAE	
CCCCC[C@H](CC)NCC(C)(CC)CC	1990091235	LQBAVIPXFMGUMH-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H](C)C1(C)CCCCC1	1995992054	UXKYBIPPMRVPOK-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCCC2CC2)CC1	1997101903	CAXIKLLUHVIKMK-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@@H]2CCCC(C)(C)C2)C1	2000099955	RPAXNZWNONLORM-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)C[C@@H](C)C1CC1	2000516007	UPJOBGQHVVFPTB-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(CC2(C)CCC2)CC1	2001136051	BRUNWDQWRLFHKQ-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC1CC(C2(O)CCCCCCCCC2)C1	2002298525	AVDXUTYFOKMGKT-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
C[C@H](CN(C)[C@@H](C)C1CCCC1)CC(C)(C)C	2002932105	JPZOMAICSSGWEA-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1CCCCCCCC1=O	2003075409	RKSWIZLQKRCTDI-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NC1CCCCCCCC1	2003099224	KGGQDEIUXVRGOJ-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@H]1C[C@@H](C(C)(CC)CC)C[C@@H](C)C1	2006624355	PRXNMBXQEGZWDH-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)c1cc2ccccc2s1	2006723426	UTAAAKFIDJYWSR-ZYHUDNBSSA-N	244.359	4.520	0	10	BJAE	
CC=C(C)[C@@H](C[C@H](CC)C(C)(C)C)NCCC	2007857414	CAOQLMWUAJRHAI-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1CCC(C)(C)CC[C@@H]1O	2009407592	OAXYYIYHVGWKBF-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CC=CCCC[C@H](O)[C@@]1(C)CC[C@H](C)C1(C)C	2009595330	WHPOEFKLUDWCSA-OFQRWUPVSA-N	238.415	4.556	0	10	BJAE	
C/C=C/CCCNC[C@H]1CCC[C@H](CC)CC1	2009597925	IRGRSHHOVZRMHP-TVKHYIBRSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@]1(C)CC1(C)C	2009628899	PBIOJXBJUCICES-UVMHCMFPSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)C[C@H](C)CC)C1	2009718039	RWJVSMYOKAHXMA-QVOMUQBLSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)[C@H]1CCC1(C)C	2014904118	VLVFQWOTHVDQAW-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H](C)C(C)C)NCCC	2015269762	IFSRBSULPSORIM-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CC(C(C)C)C(C)C	2015282500	WAKBAZGDXOFAJO-HOCLYGCPSA-N	242.447	4.738	0	10	BJAE	
CCCC1(C[C@]2(O)CCC[C@H](C)[C@H]2C)CCC1	2015640924	YEOJQXSLPRDIKP-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](CC)(CN)CC1(CCC)CCC1	2015645967	WDPFEPYHYXCBOC-HNNXBMFYSA-N	239.447	4.892	0	10	BJAE	
CCCN[C@H](C(C)(C)CC)C1(CC(C)C)CC1	2015753860	XJBNXLVFEBMUHV-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC(O)(CCC)CC1(C(C)(F)F)CCC1	2016719796	LYSLGXKXAIWLNK-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
C/C=C/CCCNCC1CCC(CCC)CC1	2017655244	KZFJBQDHYZSGRW-HWKANZROSA-N	237.431	4.539	0	10	BJAE	
CCCC1CCC(CCC[C@H](O)C2CC2)CC1	2017714618	HKVRCNBJPYMGQS-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H]1CC[C@H](CC)CC1	2017722566	QMJUKZFUAMDJNQ-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCC[C@]1(C)NCC1CCCCCCC1	2017868804	OLMOSQDNGCXEJV-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC[C@H]1C(C)C	2018133066	ZSWSHAFNHOUGEU-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)[C@@H]1C=CCCCCC1	2019120826	BGJCNAMZIYNTEH-HUUCEWRRSA-N	237.431	4.632	0	10	BJAE	
CC(C)CCCCCN1CCCC(C)(C)CC1	2019340524	OXAHXGKAPPBKTJ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
C[C@H](C[C@](C)(O)CC1CCCCC1)C1CCC1	2019767537	LTWMGUGNGLVXII-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)C2(C)C)c(C)c1	2025019790	SABCXLLHBRZWAB-CQSZACIVSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H]1CCC[C@@H]1C	2026167617	SOMHMVOWOWDFJB-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(C2=CCCCCCC2)C1	2026917295	CNJIBAXKRATAKK-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CC1(C[C@@]2(N)CCC[C@H](C3CC3)C2)CCCCC1	2027306469	LDUUFFTXCJEKGR-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
CC1(CCC(=O)c2ccc3ccccc3c2)CC1	2027732938	SXNQWFFHASXHPZ-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
CCCc1ccccc1[C@H](O)[C@H](CCC)C(C)C	2028232732	PNADYADNDIFJLV-NVXWUHKLSA-N	248.410	4.745	0	10	BJAE	
CC[C@@H](C(=O)c1ccc(C(C)(C)C)cc1)C(C)C	2028250748	ADZXGCSTYBTVKG-OAHLLOKOSA-N	246.394	4.849	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]2CCCC[C@H]21	2028760841	XIAYXXYZEKSYKZ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(C(=O)C2CCC(F)CC2)c1	2032091313	KRZCNMGFGPQZSW-UHFFFAOYSA-N	248.341	4.521	0	10	BJAE	
C1CCCC(NC2C[C@H]3CCCC[C@@H]3C2)CCC1	2034143685	GMDZDHWABDBFHB-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)c1	2035407067	FZJRWVFKRCVLPG-INMHGKMJSA-N	245.410	4.786	0	10	BJAE	
C[C@H]1CCC[C@H]1NC1CC2(CCC(C)(C)CC2)C1	2038932178	ALVJBMYSQLEGFL-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(CN)CC23CCCCC3)C1	2039000432	SBPFVUVXELTIGR-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](N)C2CC3(CCCCC3)C2)C1	2040174037	YFLNDTKIRXSETR-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CN[C@@H]1CCCC2(CCCCC2)C1	2040765434	QNMFMPBGYHGNPR-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C[C@@H]1CC1(C)C)C[C@H]1CCC=CCCC1	2045323668	ODXAMYOMWFVTER-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)[C@@H]2CCCC(C)(C)C2)c1	2045369099	ZFEOVSVJSIPCQC-ZBFHGGJFSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CC(C)=C[C@H](C)C1	2045560178	KICSBUFRMYRQOO-UKMLZYKCSA-N	248.410	4.764	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CCCCCC2CC2)C1	2045561459	GJRLPSBLKGXIFI-CJNGLKHVSA-N	248.410	4.908	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@@H]1CC(C)=C[C@H](C)C1	2045693713	BYHRGWFMSKUUDC-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CC23CCCCC3)CCCCC1	2047013165	TWHOLPGZLCVTSN-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C1CC1)[C@H]1CCCCC12CCCC2	2048117149	DIBJIFKHEOPUMB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)[C@H]1[C@H]2CCCCC[C@H]21	2049214517	LHBLAPYBZCOENY-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(NC[C@@H]2C[C@@H]3CCC[C@H]32)CCC1	2049676571	VERLSRQBMRSVNW-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1=CCCCC1)C[C@H]1CCCC2(CC2)C1	2049850654	ZJKSPPCMGBAAAZ-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
O=C(C[C@H]1CCCC2(CC2)C1)C1CCCCCC1	2049950224	FSVDUMBKGCSFBE-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
Cc1ccc([C@@H](N)CC2=CCCCCCC2)cc1	2050432112	UKEKYQAWDDZIPY-KRWDZBQOSA-N	243.394	4.666	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2051594716	KOAFLWCPUFKHMP-OLGJIQAVSA-N	249.442	4.501	0	10	BJAE	
CC1(CN2CCCC[C@H]2C2CCCCC2)CCC1	2051668457	KZAGIDWGNCUJNW-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)CCCCC23CC3)CC1	2053314799	INPNTRGKCOHVRX-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CCCCC12CC2	2053405934	AYXIWFSDEJEGST-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@]1(C2CC=CC2)CCC[C@H](CC)C1	2053695324	SQRYNQIDWGJNKP-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
FCc1ccc(N[C@@H]2CCCC3(CCC3)C2)cc1	2055672426	SQUXMEKOYXMGGG-OAHLLOKOSA-N	247.357	4.681	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H]1C[C@H]1C(C)(C)C	2056883631	PKCINJALAKPWLZ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
Fc1c(C[C@@H]2C=CCCCC2)ccc2c1CCC2	2057858038	SPPVBKUBDORNSF-CYBMUJFWSA-N	244.353	4.603	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@@]3(C(C)C)C[C@H]23)c1	2058561039	ARTPWLUTZBCNIS-ZACQAIPSSA-N	243.394	4.540	0	10	BJAE	
CCCCC1CC(N)(C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2059494963	GQFKFRAFQVIMDR-LJEMCRLJSA-N	249.442	4.501	0	10	BJAE	
CCc1c(C)cc(C(F)F)cc1C(F)(F)F	2060347361	CXVRUJUFMQMGIF-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC1=C[C@](O)(C2=CC[C@@H](C(C)(C)C)CC2)CCC1	2061100146	UYGSPWSGDYJVSG-PBHICJAKSA-N	248.410	4.620	0	10	BJAE	
CC1CCC([C@@](C)(N)C2=CCC(C)(C)CC2)CC1	2061111977	AWIUFHUCNNNOCS-MQBCKMQZSA-N	249.442	4.667	0	10	BJAE	
C1CCC(CCCNCC[C@]23CCC[C@H]2C3)CC1	2061575505	SZYKQEXAQRHKAN-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)CC1CC(=C2CCC2)C1	2061736878	LOGMGTGCYSKHMM-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)c1cccc(C2CC2)c1	2062631919	USBKKCSWMYQPQD-GXTWGEPZSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1C(=O)CC12CCC(CC1)CC2	2065285804	JQFCJPNDEAPVML-DLOXAQCQSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(OC)cc1C	2065990116	KOFPQISVUNGTDF-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)[C@H]1CCC1(C)C	2068240611	WVXUOBBSANJWBF-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CCC2)C1(C)CCCC1	2069216170	WZPKBJHQSIEJHE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC1(CN2CCC3(CCCCCC3)C2)CCC1	2069326704	LWVQQFQXIZXNAS-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CC(C)CC1(C(=O)[C@@H]2CCC3(CCCC3)C2)CC1	2069500086	JWIMXZWBHOFSAB-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@H]1CC(=O)c1ccc(C2CCCC2)cc1	2071478273	IWWIVNDRJODOJF-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)C1(CN[C@@H]2CCCC3(CC3)C2)CCC1	2071933560	MJSOVLUQELAUCK-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@]3(C)C[C@H]32)CC1	2072805686	DYSYVWQBMPKZSK-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@]23CCC[C@@H]2C3)CC1	2072880279	ZUVQKNUIPKZPJP-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H](NC)c2c(C)cccc2C)CC1	2074635085	YRLCSCGJFUKWKZ-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CC=C(CC)[C@@H](C[C@@H]1CCC12CCC2)NCCC	2077197136	PJCYLHPUISGJQS-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](C1CCCCC1)[C@H]1C[C@@H]1C1CCCCCC1	2079838373	ILCHHNBOBRXIBN-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CC(=CC1C[C@H](C)C[C@@H](C)C1)[C@H]1CC[C@H](N)CC1	2082141320	WDWURVYOCQLGJQ-BQGCOEIASA-N	249.442	4.523	0	10	BJAE	
Cc1cc([C@@H](N)C[C@H]2CCCC(C)(C)C2)c(C)o1	2082976921	VBPMJIIJOHMXQY-HIFRSBDPSA-N	249.398	4.503	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)CC3CCC2CC3)C1	2082980846	YNAQIXJTDPUGTA-CLKYRPBMSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H]2CC23CCCCC3)C1	2084996657	WYXRANQEEDLRGI-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)CC(=O)CCCCCCC1CC1	2210526647	HOWAMJPGZDGUHZ-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC(C)C[C@@](C)(O)CCCCCCC1CC1	2210527144	OHLSGNSAZVNDAB-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H](CCCCCCC2CC2)CCN1	2213572912	BMQMAQBHZHDOKO-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCCCCCC1CC1)C1(C)CC1	2213573419	HLMXRASAVOHHMP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CCCCC1CC1	2214552191	KNUBGYDIFQIJLC-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@H]1CC[C@H]1C	2215088194	ZPHOEKQJIMQJCK-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@H]1CCn1ccc2cc(Cl)ccc21	2215347464	XNZHPSLVSJNPSG-NWDGAFQWSA-N	247.769	4.731	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1(C)CC(C)(C)C1)NC	2215402888	WTANNOLHSRPTIK-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCCN(C)[C@@H]1CCC[C@H](C(C)(C)C)C1	2216246466	BVKFSMJSBJRJRQ-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCN[C@H](CCCCC(F)F)CCC(C)(C)C	2216448883	GMEXIHSMJDTYMJ-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
C[C@H]1CCC[C@H]1NCCCCCCCC1CC1	2216870628	KHCDATCJRNLZRA-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
C[C@](O)(CCCCCCCC1CC1)C1CCC1	2216896027	OQHGEWQHWFEJPM-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCCC1(CN[C@H](C)CC)CCC(C)CC1	2217124185	FHGKRMAYYXOZBZ-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@@]1(CN[C@@H](C)CC)CC=CCC1	2217131587	XZKCLJCZJZAONU-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCc1cc(Cl)ccc1NCC1(C)CC=CC1	2217275232	FPQZSLZKCSGVSZ-UHFFFAOYSA-N	249.785	4.671	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)[C@@H]1CC=CCC1	2218322204	JYHIJWGDLTTZCQ-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
O=C(CC1C[C@H]2CCC[C@H](C1)C2)[C@H]1CC=CCC1	2218331569	JYHIJWGDLTTZCQ-DZKIICNBSA-N	246.394	4.518	0	10	BJAE	
CCCC1(C[C@@H](N)C2C[C@H]3CCC[C@H](C2)C3)CC1	2218345068	BLTUEOUHQBNCPP-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218373421	JCAXDMUOWSOZPF-OTJKEOIZSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1C[C@H]1C1CCCC1	2218728753	XJGKLNVPRGDQQI-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1(C)CC2(CCC2)C1	2221004347	PZBOXNHXBFOWQV-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H](C)C2CC(C)(C)C2)CC1	2221643210	ALNWAHBRSSYCSB-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@]23CCCC[C@@H]2C3)CC1	2221644796	VFKMLRHYPGTHKH-PVAVHDDUSA-N	246.394	4.662	0	10	BJAE	
Cc1cccc(C)c1C(=O)C1(C)C(C)(C)C1(C)C	2221926881	ALHVVCXQVWVIEI-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
CC[C@H](C)NC[C@@H](c1cccc(C)c1)[C@H](C)CC	2223551926	UBGHFXKNNBZGPH-HLLBOEOZSA-N	247.426	4.513	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1csc(C)c1C	2242610901	IDUAELPVWFPZBO-ZDUSSCGKSA-N	239.428	4.581	0	10	BJAE	
Cc1ccc(C)c(CCC2=CCCCC2)c1	2243237184	KGUMMSCXJOSKQP-UHFFFAOYSA-N	214.352	4.736	0	10	BJAE	
C[C@H]1CCCC(=O)[C@H]1CC[C@H]1CCC[C@@H](C)C1	2246693521	NSPLBPNRAQFHBT-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](N)(CC)CC1CC2(CCCC2)C1	2246818950	LSEOGBQQEOAGBK-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(N)CC1CC1	2250466119	AJAGQRKLXQLKIV-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@@H](O)CC[C@H](C)CCCC(C)C	2250478003	DKFAVFLCQUZFAU-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)CC1(C)CC1	2250479606	WQUGDFUYTVSZPT-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(C)n1CC[C@H](C)CCCC(C)C	2250527933	KWONAEDIOJQMPA-CQSZACIVSA-N	235.415	4.957	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@]12CCC[C@@H]1CC2	2251177091	VYOKEPROQXZVHW-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCCCC(=O)CCC1CC(CC(C)(C)C)C1	2251563277	SYZPASMNBDQBKS-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@@H]1CCC(C)(C)C1	2252635140	MGUNNOISPXRAJF-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC[C@H]2CCCCC23CC3)N1	2253857068	RKGICFLPCMRWCG-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CC2CC3(CCCC3)C2)C1	2254053817	GHIDCRWTFUKIJN-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](CC1CC2(CCCC2)C1)C[C@H]1CCCCN1	2254083402	DRQYQCBPBUJEHR-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC[C@@H]1CCCC12CC2	2255223032	FQZSQXZKOBHBNT-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
N[C@@]1(CC[C@H]2CCCC23CC3)CCC=CCCC1	2255263509	IHSABABDCNOBDT-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@]12CCCC[C@H]1CC2	2260557294	OODIJGSWZBQZNP-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)C[C@]23CCCC[C@@H]2CC3)CCCCC1	2260608463	NCFWCIFOZZEWEO-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
O=C(c1cccc(C2CCCC2)c1)C1CCCC1	2260732504	ZQOVARQPSUARPU-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)C2CC3(CCC3)C2)C1	2261197479	ZGXWXVNRYSBIDY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@](N)(C[C@@]12CCC[C@@H]1CC2)C(C)(C)C	2298727310	UWPZPTHQGCKBFI-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)C1(C)CCCCCCC1	2298922647	JPSLTYODIOHGCM-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@]1(C)C=CCC1	2300680502	FCYOVXMZXOBAPC-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CCCCC[C@@H]1C	2300688568	OLSGADFCSFCHJE-GOEBONIOSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1C[C@@H]1C1CCCC1	2300703840	KVGJUYKUPVZUHJ-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCC[C@H](O)CC1CCCCC1	2300705127	AGWUWZVKUKGYTB-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](C)[C@@H](N)CC=C(C)CCCC(C)C	2300873877	DWMUJHSQNCKIOY-HOTGVXAUSA-N	239.447	4.913	0	10	BJAE	
CCC(C)=CC[C@H]1CCCCCCC[C@@H]1NC	2300899864	RYNQGLKXKRKXGN-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CC1CCCCCC1	2301136622	ZCSGHFFAHMJNJH-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)[C@H](C)[C@@H](C)C(C)C	2301952477	JATMBDAJWAONBK-LZWOXQAQSA-N	242.447	4.594	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@@H]1C)CCC(C)=C(C)C	2302608842	BNUUYWLLUIQHOK-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C[C@@H]1CCC(C)(C)C1	2302902215	NPHCWWKCQUITSG-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@H](CC2(N)CCCCCC2)CC1	2303577232	HLYMRXAPZLEAHB-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CCc1cc(F)cc(NCCC(CC)CC)c1	2304009719	PGXNTLIFRHFLIN-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cccc(C(C)C)c1F	2307561654	UDWVYJBHZURIQL-RYUDHWBXSA-N	237.362	4.796	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)C1(C(C)C)CCC1	2307909672	VHUAAUJCALYOQK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309805202	IFUWWQLCNYYSPS-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@H](N)C[C@@H]2CCC[C@@H]3C[C@H]23)CCCCC1	2309960017	JOZUAXAZGQKMMW-XUWVNRHRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@H](N)[C@@]12CCCC[C@@H]1C2)C1CCCCC1	2311130347	MQKMHVAEXMERML-PQEBFOHHSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@H]1c2ccccc2NC[C@H]1C	2311571543	JVXLFXKLGGGQDY-BFJAYTPKSA-N	243.394	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)[C@@]23CCCC[C@@H]2CC3)C1	2313312773	YFJHAHOCPDTLFA-KLZNWCGWSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H]1C[C@@H](C)c2ccccc2N1	2313642838	VYQYJSQSVXQJTK-IIYDPXPESA-N	243.394	4.801	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1ccccc1C1CC1	2316235683	MVEMWZSDSCWQJK-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C[C@@H]1CC[C@@H]2C[C@H]12	2316541043	YGXXFWGBPWBXGV-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316877294	DDSBPSPJSMBZEF-XFIYOXNOSA-N	248.410	4.598	0	10	BJAE	
C1=CC[C@H](CCNCCCC2=CCCCC2)CC1	2318543268	YNTJISTVKQHOPE-KRWDZBQOSA-N	247.426	4.603	0	10	BJAE	
CC1=C(C)C[C@H](CNCCC2=CCCCC2)CC1	2320372085	AUSSPVWTTZWMKF-QGZVFWFLSA-N	247.426	4.603	0	10	BJAE	
CC1(C)CC[C@H](CCNCC2CCC=CCC2)C1	2321612872	GGKPYPQRELVISA-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](CC)C[C@](O)(CCC)c1ccccc1	2328212554	IKGFPKMSVFMFHS-NVXWUHKLSA-N	248.410	4.891	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC[C@@H]1C)c1ccccc1	20002380	YLCKYIRNZPVGIT-UAGQMJEPSA-N	245.410	4.696	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](O)C2CCCCC2)cc1	32102647	UZCBDRPTFMYSIV-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CCCCCC[C@@H](C)NCc1ccc(CC)cc1	34991448	RBFIPXHVYAWRIU-OAHLLOKOSA-N	247.426	4.698	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)c1ccccc1	35575973	PLLDGHZZEGYQNA-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CCCOc1cccc(N[C@@H](C)CCC(C)C)c1	36995503	XIBBOWRTKAJLAY-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
CC[C@@H](C)Nc1ccccc1-c1cccs1	37075693	KSUXNIBTWCCAEY-LLVKDONJSA-N	231.364	4.626	0	10	BJAE	
Cc1ccc(-c2ccc3ccccc3c2)cc1	59997463	ZXXGUXICWKNYJD-UHFFFAOYSA-N	218.299	4.815	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)[C@@H](C)c1ccccc1	68874097	ILUAMCVWURNBTM-ZMSDIMECSA-N	248.410	4.758	0	10	BJAE	
CC[C@H](C)c1cccc2cc([C@H](N)C(C)C)oc12	88074860	HXWTWWMZZLWXSD-XHDPSFHLSA-N	245.366	4.602	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)c1ccc(C)c(C)c1	103985560	ZYVYFPWJYNSBSP-ZBFHGGJFSA-N	233.399	4.533	0	10	BJAE	
CCCCCC[C@@]1(N)CCCCc2ccccc21	104167889	NGINMIWQZWVXRC-QGZVFWFLSA-N	245.410	4.537	0	10	BJAE	
CCC1CCC(N[C@H](C)c2cc(C)oc2C)CC1	109928464	BJASQFRXJFNUIP-LRVUVFPRSA-N	249.398	4.516	0	10	BJAE	
CC(C)(C)[C@@H](O)c1ccc(C2CCCCC2)cc1	110916409	UECLVSXUVXREBA-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCCC1CCCCC1	125110449	ZEPVYTDQBDJSJR-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](NCC)C1C(C)(C)C1(C)C	158529064	YQQWZLHKQXGFCU-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc(C)c(C)c1	202098392	OBUZRNKOLMOKSM-AWEZNQCLSA-N	232.367	4.703	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@@H]1CCC[C@@H](C)C1	218737124	CCAWDWGGIWRUML-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCC[C@@H](C(C)C)CC1	226533895	NJSILZUVEANKCL-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H]1CCCC1(C)C	226879373	LQGCJPWFNHEPCF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@@H](CC)C1	226940743	QWSPMWRQDXSGBK-ARFHVFGLSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CC[C@@H](CC)C1	227220680	NNGAOOUYPUYMCG-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)c1cc(C)cc(C)c1	229489487	AGUMADMIWDKQIK-CXAGYDPISA-N	247.426	4.780	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCC12CCCCC2	230168122	HYDQRSLKOIAHQT-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)c1cscc1C	234437275	KRUAYSBBPVTUKY-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CCCC[C@H]1CC	253040462	KKPOQQIHRCUZHW-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@H]2CCC23CCCCC3)C1	299952376	IIFXFWKRACRFNW-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@@H]1N[C@@H]1CCCC[C@H]1C1CCCCC1	300585506	GTNJANSAWWCGLC-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CCC(C)(C)C	300963111	YSGGMUJPVZVNJL-UONOGXRCSA-N	228.420	4.780	0	10	BJAE	
CC(C)C[C@@H](C)CC1(CN)CCC(C)(C)CC1	302256563	BAWXTCDZDNQJSX-CQSZACIVSA-N	239.447	4.604	0	10	BJAE	
CSc1cc(Cl)c2sccc2c1C	307104461	FXLVQJRCODRLCT-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Cc1cc2sc(C(F)F)cc2cc1Cl	307500442	SJHYJXWDMPDARE-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1sccc1Cl	308011927	KTAUOHCVDHFNDW-MWLCHTKSSA-N	246.803	4.507	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CC1CCC(C)CC1	308019664	IUCMAGHZUAGPPU-QDIHITRGSA-N	240.431	4.636	0	10	BJAE	
CCC1(C[C@H](C[C@H](C)C(C)(C)C)NC)CCC1	310126424	JJDGWIRLCXHAQK-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC1CCC(C)(C)CC1)C(C)C	310491389	HJULNBLJHDFFQQ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(CNC3CC3)CCCC2)C1	317550927	JDTZHKPQJNLHTG-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@]1(CNC(C)C)CC[C@H](C)C1	318141654	YUZOAVIJCKJILT-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@@]1(CC(CC)CC)CC[C@@H](C)C1	318367356	ZCNFMLGWWYCHHN-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)c1cccc2ccccc12	319084667	BJIRXIYDAIKCHZ-OGHNNQOOSA-N	241.378	4.522	0	10	BJAE	
CCCCC[C@@H](NCCC)C(C(C)C)C(C)C	380117876	BAEYGOKJKCXSLM-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCc1ccc(NCCCCCC(C)C)cc1	383121042	JHOOWOAMXJYUQX-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CCCc1ccccc1[C@@H](N)C1(C)CCCCC1	384618421	IBTINBOZYPAXSA-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
Cc1cc2ccccc2n1CCC1=CCCCC1	385022226	IKQMAXKMOFWAQI-UHFFFAOYSA-N	239.362	4.840	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cccc2ccsc12	386212124	HSWMHOMTGIJGTD-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
Cc1cc(C)cc(NCCC2=CCCCC2)c1	395302128	AVNQBYYEDUAVEM-UHFFFAOYSA-N	229.367	4.606	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)CCC2CC2)c(C)c1	398026872	HQSSJEQQVUWLAV-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)C[C@@H](C)C1CCC1	398802705	IVPCMXINYSENCK-MAUPQMMJSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C1CCCCCC1	398856023	PQBHYHSDRXUTQZ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCc1cccc([C@H](NC)[C@H](C)C(C)(C)C)c1	399239508	DPWATVKRMYKVHM-XJKSGUPXSA-N	247.426	4.582	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](O)CC2=CCCC2)cc1	400496991	IKAGWJFVFOLFCL-INIZCTEOSA-N	244.378	4.518	0	10	BJAE	
Clc1cccc2cc(CC3=CCCC3)oc12	401129724	WFZINSXZUYNFNL-UHFFFAOYSA-N	232.710	4.739	0	10	BJAE	
CC(C)NC[C@@H]1CCCC[C@@H]1C[C@H]1CC=CCC1	402371155	SKZIMVHANHVHGH-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1CCCC12CCCC2	686308056	DYQCNUZUGOGKBR-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(NCC2(C)CCC2)cc1	687273179	YTDBWBRBXFYBGI-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
C[C@H]1CC(Nc2cccc(C3CC3)c2)C[C@H](C)C1	690070343	DLJACVQOVCXBGV-CHWSQXEVSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@H]1CC2CCC1CC2	691675886	PHTKLWFYQRYNMW-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@H]1CC2CCC1CC2	691727564	LQGPXTLUWNLGTG-BOXZVXIZSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(CCCCCC(C)C)CC1(C)C	702165261	NNVPTIPYXWKHMA-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC12CCCC2	705100658	QBNUVMDUIJOMBQ-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1)[C@]12CCCC[C@@H]1C2	709101195	ZZYQMDCFBMBTSM-YWPYICTPSA-N	249.785	4.721	0	10	BJAE	
CCc1ccccc1N[C@H](C)CC1CCCC1	709758404	DOLASNIDHWRSJS-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CCC(C)(C)C[C@H](C[C@@H](C)c1ccccc1)NC	710178320	DIOBHCGPEUJDFF-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H]1CCCCC1(C)C)C(C)(C)C	711155061	ZLVPLFUDYOLWHL-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CCC)C[C@@H](CC)C(C)(C)C	711184740	MNEJXLWGPUVNAJ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@H](C[C@H](CN)C1CCCCCC1)C(C)(C)C	711211243	WEPJBYKPNHIOAI-UKRRQHHQSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccc(C2CCC2)cc1	711326910	KCUMMGYMUTUAFD-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C(C)C)c1ccccc1	713139259	GKCLJZMKLXZLJD-INIZCTEOSA-N	247.426	4.800	0	10	BJAE	
CCCNC[C@](C)(CC(C)(C)C(C)C)C(C)C	713215040	YWWSCTOLJJVCEV-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714302522	FJDXBOVFSUPADP-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CNCC1(C[C@H]2CCC[C@@H](C)C2)CCC=CCC1	718119661	OJYHVNPYHIKVPL-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@@H](C)CC(C)(C)C	718637593	NHOOLEPJQIKSMU-KBPBESRZSA-N	226.404	4.556	0	10	BJAE	
CC(F)(F)CCC[C@H](O)C1(C)CCCCCC1	718703101	KVXYCWUEXVOULC-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@@H]1C)c1ccc(C(C)C)cc1	722612905	SOYKXHLZTYZEQH-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H](C1CCCC1)C1CC1	723958790	CQVYIIHTCANELX-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](NC[C@H]1CCC=CCCC1)C1CCCC1	1308974044	CVMKYKBXMHJUFO-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C1=CCC(CSc2ccc3ccccc3c2)C1	1640601939	CRVLVOYODQWORH-UHFFFAOYSA-N	240.371	4.898	0	10	BJAE	
CC(C)C[C@@H](C)CSc1ccc(Cl)cn1	1651759618	GENHOIKOJMQSLS-SNVBAGLBSA-N	243.803	4.509	0	10	BJAE	
CC(=CC1CCC(C(C)(C)C)CC1)CNC1CC1	1878437775	NBAYBIMOMHSXSO-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC=CCCCN(Cc1ccccc1)CC(C)C	1880242312	CNTOFILKYOCBKK-UHFFFAOYSA-N	245.410	4.501	0	10	BJAE	
Clc1cc(Cl)cc(CC2CC=CC2)c1	1894892298	RGGMMQZBUNEKTJ-UHFFFAOYSA-N	227.134	4.502	0	10	BJAE	
CC(=CCC1=COCCC1)CCCC(C)C	1900827928	UMXHDZUSWDSGJF-UHFFFAOYSA-N	222.372	4.843	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H](CC)CCC	1905384240	WIRKPZKTLQRJQK-HUUCEWRRSA-N	228.420	4.924	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)C[C@@H]1C[C@@H]1C	1909548930	YTPSYAPQUFDNOV-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC[C@@H]1C[C@H]1C(C)C)NCCC	1910749132	SFYGBTHHJUAWNR-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@@]1(O)CCC[C@@H](CCC)CC1	1911973998	JTWRNJHHOURPOL-HZPDHXFCSA-N	236.399	4.620	0	10	BJAE	
C=CC=CCC[C@@]1(CNC(C)C)CC[C@H](CC)C1	1912128039	GCUKYSFEVUVESB-DLBZAZTESA-N	249.442	4.703	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)C1CC2(CCCC2)C1	1912606336	GPVMNGORRVRQSC-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
c1cc(N[C@H]2CC[C@H]3C[C@H]3C2)c2sccc2c1	1917337128	QOSKTWQBTHPCII-AVGNSLFASA-N	243.375	4.502	0	10	BJAE	
CC(C)=CCC[C@](O)(CC(C)C)c1ccccc1	1920034248	VQXZMKTYPBYRDY-KRWDZBQOSA-N	246.394	4.667	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)C1CC2(CCCCC2)C1	1921473698	MIIWVAYCGNHLMP-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CC[C@@H]1CC1(C)C	1921565183	WAFATEBNGHZLMM-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(C(=O)[C@H](C)C2CCCCC2)c1C	1924097054	AWEHWIQWUDJXQP-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@H](C)C2CCCCC2)c1	1924100910	ORSLLDUQFBRPJY-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@H]1C=CCCCC1	1925877513	QOWXQCCXMLEUCC-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](NC[C@H]1C=CCCCC1)C1CCCCC1	1925942566	KKSNZKNSWVUZGC-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)(CCCC1=CCCC1)C(F)(F)F	1930661396	JZTDVMAAMAUGFV-UHFFFAOYSA-N	220.278	4.856	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H]2C=CCCC2)C1	1932605647	XZKHSNQQOVLUFA-ILXRZTDVSA-N	206.373	4.949	0	10	BJAE	
CCCCC[C@](C)(N)CCC(C)(C)CC	1933796104	LZUSBWNJXYCYHC-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
CCCN[C@H]1CC[C@@H](CC2(C)CCCCC2)C1	1940405484	BZZVZZWMTZPMDT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCCC2(C)CC2)CC1	1940844037	ATZRYYMDBAXMQW-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H](C)[C@@H](C)CC	1940935102	JLTJPELTNBLSMD-QWHCGFSZSA-N	232.367	4.504	0	10	BJAE	
CC[C@H](C(C)C)[C@H](C[C@@H](C)CC(C)(C)C)NC	1941262215	ALGKWNFYQLOIDP-KFWWJZLASA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CCCCCC1CC1	1941591613	MVXFLWONZZTOMO-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944198188	FFBAKOFNEXGEJN-WDNDVIMCSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C[C@H](C)C1CC1	1944524574	LAURFNSPWHRIIV-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)CC1CCC(C)(C)CC1	1944661966	XJWBXTPFFZHRIF-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@@H]1CCC[C@@H]1C	1944850912	YQBXZKNNOIBRCE-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H]1CCC(C)(C)C1)CC(C)(C)C	1945583804	CJKCDGZFDIEURI-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CC(C)(CC(F)F)CC1(O)CCCCCCC1	1947534098	YOUOJRFQPQOPPL-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](c1nc2c([nH]1)[C@@H](C)CC[C@H]2C)C(C)C	1949750196	ZEGXYDWVNUPFAD-TUAOUCFPSA-N	234.387	4.560	0	10	BJAE	
CCN[C@@H](CCC1CCC=CCC1)C(C)(C)C	1949831082	PUSLPZRFNCAGRN-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](CC)NCC=Cc1ccccc1	1951318332	QLWFXIZHQCLRQB-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
CC(C)(C)CC(C)(C)NC[C@@H]1CCC(C)(C)C1	1962825595	RLXYMLOFIRNRMQ-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1NC[C@@H]1CCCC2(CC2)C1	1968360137	MELUZEBIBIPGAF-CQSZACIVSA-N	243.394	4.631	0	10	BJAE	
CCCc1ccc(NC[C@@H]2CCC(C)(C)C2)cc1	1968425520	FBGFXKKLHJMUHJ-OAHLLOKOSA-N	245.410	4.877	0	10	BJAE	
CC1(CCNc2ccc3c(c2)CCCCC3)CC1	1970867766	VQIKEZQUFFWWNG-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC(C)CC1(CN[C@H]2CCC23CCC3)CCCC1	1971025612	HYLHGBHVQMMKQA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC(N[C@@H](C)c2ccc(C)cc2C)C1	1973591192	RIKFYQJVCZQXBW-UQPPLGOBSA-N	245.410	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2cccs2)CC1	1976342745	PXWPGPOZGXDIAS-VXGBXAGGSA-N	236.380	4.537	0	10	BJAE	
CCCC[C@H](C)C(=O)[C@@H]1CCCC(C)(C)C1	1978375739	TYAGKDUGSZPPET-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC=CCCCc1cc2cccc(Cl)c2o1	1984610575	PJUJWPYOCVKMIB-UHFFFAOYSA-N	234.726	4.985	0	10	BJAE	
CC[C@@H](CC(=O)C[C@H](C)C(C)C)C(C)(C)C	1988303544	VRBMDTKFHMCZBD-STQMWFEESA-N	226.404	4.700	0	10	BJAE	
CCC[C@@H](O)CCC[C@H]1CCCC(C)(C)C1	1994032810	CCBURFPJODCEHF-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCCC1CCC(O)(C[C@H]2CC[C@@H](C)C2)CC1	1996273177	SMTKVJYIVNPWOR-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)C1CCC(C)CC1	1996549223	UUGLNEWGQYBLBV-BCLQGDPASA-N	238.415	4.700	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1ccccc1C(C)C	1996612306	IDWCBDFOFNDBPE-OAHLLOKOSA-N	233.399	4.636	0	10	BJAE	
CC(C)(C)C1CC(C[C@H]2CCCCCC2=O)C1	1998238786	HFSOYQXVRZSNTN-ROKHWSDSSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](N)(C1CCC1)[C@H]1CCCC(C)(C)C1	2000064353	ZIRPGWNSWPWLGM-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CCC(F)(F)CC	2000196210	FKNNOHIHKAGIOA-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@@H](C(F)F)C(C)(C)C	2002433928	AQRZLNDMNLVOQV-MNOVXSKESA-N	248.357	4.555	0	10	BJAE	
CCN[C@@H]1[C@@H](C)CC[C@@H]1CCCCCC(C)C	2002877153	OXWRJFBTZPQZDH-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC1CCCCCCCC1	2003094715	HDWZLNGLFHWSSE-CQSZACIVSA-N	239.447	4.904	0	10	BJAE	
Cc1ccc(C(=O)[C@]2(C)C=CCCC2)c(Cl)c1	2003335418	SUTSQZTZXVLIIA-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
CCN[C@H](CCCC(C)(C)CC)c1ccco1	2003686566	WJJJBDFGNRSBRV-CYBMUJFWSA-N	237.387	4.537	0	10	BJAE	
CC1([C@H](O)CC2CCCC2)CCCCCCC1	2004919751	CKWQDBUIBQGQHU-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](CCC)C1(C)CCCCCCC1	2004921960	BTNKUKWZEAHASB-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCNC[C@]1([C@H](C)CC)CCCCC1(C)C	2005593254	AAKVZQYVFYQZFI-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CCC[C@H]3C)c12	2006720445	BMFCRLQHSMETNQ-IUODEOHRSA-N	227.351	4.565	0	10	BJAE	
CC1=C(C)[C@@](O)(CC2(C)CCCCC2)CCC1	2006951412	APIVYYNWGTUGFS-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCCC1(CNC(C)C)CCC2(CC2)CC1	2007693145	WEQFZADTTGKGHF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC=CCCCN[C@H](C)C1CCC(C)(C)CC1	2009592105	LPIMBGSHVIPTJD-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1CCC(C)CC1	2009596767	VGRFOUBZYBXQKY-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H]1CCCC[C@H]1CNCCC	2009616738	LPMMYXFIGOOCNB-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC=CCCC[C@@H](N)c1cccc2ccsc12	2009620172	SCFSDTRHCMRSHN-CQSZACIVSA-N	245.391	4.648	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCC[C@@H](C)[C@H]1C	2013263743	JEBRBOKLHKNEFW-KLHDSHLOSA-N	239.447	4.616	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@@H]1C=CCCCC1	2013274859	UWQIMUTUQZAEAA-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H]1CCCC(C)(C)C1	2013309323	OLHSXBCIIKFTKS-GJZGRUSLSA-N	239.447	4.712	0	10	BJAE	
CCCCCC[C@H](NC)C1(CC2CC2)CCC1	2015752095	DAXVYJYLGRJXCV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)C2(C)CCCC2)CC1	2017649033	RLTDDOMEKLJGOT-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@](O)(C[C@H]2CC[C@H](C)CC2)C1	2017650223	DUONTFISFAJFDO-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@H]1CC[C@H](C)CC1	2017720299	GCKSDDAOFVDRIA-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CN(C)[C@@H](C)C(C)(C)CC)CCC1	2017787245	GVPYXYQMKHLUFN-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@@H](C)C1CCCCC1	2019233324	VQAPEYHEUWMXKF-ZBFHGGJFSA-N	239.447	4.713	0	10	BJAE	
C[C@@H](CC[C@H](O)CC1CCCCC1)C1CCC1	2019852367	KSTKXQVOTJLLNP-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
ClC1(CNc2ccc(C3CCC3)cc2)CCC1	2020464161	UUTLDYZMRCYQPM-UHFFFAOYSA-N	249.785	4.528	0	10	BJAE	
CCCC1([C@@H](O)CCCCC(C)(F)F)CCC1	2023307742	BOUPVORAAHATCI-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)[C@@H]1CCCC2(CC2)C1	2027824163	ZBWSKDRCZYFBQP-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@@H](O)CCC[C@@H]2CC2(C)C)c1C	2027843699	SFDGMTIMXJBLDJ-ZBFHGGJFSA-N	246.394	4.553	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(C2CC2)CCCCCN1	2027856322	XMBZCPZYPYLFMB-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](c1cccc(C2CC2)c1)C(C)(C)C	2028553191	WOXWYYJVJSSJEA-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)c1ccccc1C1CC1	2028559509	HFUYSYHGJBMWMN-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCC(C)(CC)[C@H](NC)c1ccc(C2CC2)cc1	2028594583	YMYLETXGMCCDMX-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc(C(=O)CCCCCC2CC2)cc1F	2028631435	OTGONULLEAHRIC-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1ccccc1CC(C)C	2028928495	XDMSKECSQKTUAY-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NCC1(C2CCCCC2)CC1	2029741514	JDPRRAQWPNWMOY-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](NC[C@]23CCCC[C@H]2CCC3)C1	2031809985	VRRJYSXCQJTDTL-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](c1cccc(C2CC2)c1)C(C)(C)C(C)C	2032340153	XCOIEEOFVAVQSC-MRXNPFEDSA-N	245.410	4.507	0	10	BJAE	
CC1(C)[C@@H]2CC(C(=O)CCC3=CCCCC3)C[C@H]21	2032593691	OPFTUMPNGLQZJL-HUUCEWRRSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC[C@H](C(=O)c2ccccc2C2CC2)C1	2033393776	JHVUABAMNDNKHP-ZDUSSCGKSA-N	242.362	4.573	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H]1C[C@@H]2CCCC[C@@H]2C1	2034135234	YRCUVAPPPMUXAX-BJWYYQGGSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CC(NC[C@@H]2C=CCCC2)CC(C)(C)C1	2035595911	ZWFWMJNHHKPLST-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
NC1(CC2[C@@H]3CCC[C@@H]23)CCCCCCCCC1	2035884400	ACFSHJDCMACMTQ-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
N[C@@]1(C2=CCCCCCC2)CCC[C@@H](C2CC2)C1	2037074230	GRZPFYNDFCZSBO-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(N)c1c(C)cc(C)cc1C	2037099042	RBTQKFWRJOCQNW-SJKOYZFVSA-N	247.426	4.612	0	10	BJAE	
C[C@@H]1CC[C@](N)([C@@H]2CCC3(CCCC3)C2)C[C@H]1C	2037591985	LDCXTVDCKUXQQP-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(CC2CC=CC2)CCCC(C)(C)CC1	2039375549	KJIYQYYWSDLVRK-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CC[C@H]1C2)C1(C)CCCCC1	2039862370	NJCQOBNJXCKNFY-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC1CCC([C@@H](C)N[C@H]2CCCC23CCC3)CC1	2040641638	OMJTXALNGZSNSX-KNIAUWFNSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@H](Nc2ccc(C)cn2)CC1	2041497393	BJEVKFODIUXXDC-LSDHHAIUSA-N	246.398	4.551	0	10	BJAE	
CN(CC1CCCCC1)C[C@H]1CCC=CCCC1	2045315879	YJWOVUKFUFUAFD-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1C=CCCCC1	2045563289	IHGPZWROGXAMCP-XHSDSOJGSA-N	248.410	4.908	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H]1CCCC[C@H]1CC	2045793596	IOTUVKHGBXVTFP-IKGGRYGDSA-N	249.442	4.703	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(C[C@@H]2CC23CCCCC3)C1	2047060198	VTBDIPSQRHCVNX-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2048444341	BEADXRFKMVLYNM-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1[C@H]2CCCC[C@H]21	2048474918	KKELBCGEPWPYIP-MUJYYYPQSA-N	244.378	4.625	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2048622189	UDEKCZFEQAPDMR-KEPFICHZSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](N)CC1CCC2(CC1)CC2	2049860244	SCFDXNZQCCUUQS-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCCNCC2CCC3(CC2)CC3)C1	2049865321	MAELDPYOMWAOOW-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CN(C[C@H]1CCCC2(CC2)C1)C1(C)CCCCC1	2049940921	QSMXXGOHPHHJLX-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
O=C(CC[C@H]1CCCC2(CC2)C1)CC1CCCC1	2049949626	AIZGQJSUYDWPPY-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@]1(C)C=CCCC1	2049996130	DWEMFYCLNOUNRW-IAGOWNOFSA-N	247.426	4.623	0	10	BJAE	
CCN[C@H](CCC(CC)CC)c1ccccc1C	2050457934	IMJSSJYFTVUUAE-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CC[C@H](N[C@@H](C)C1(C)CCC1)c1ccc(C)cc1	2052350463	ZDGOOUDDRNVBDT-HOCLYGCPSA-N	245.410	4.614	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@@H]1CCCCC12CCC2	2053362385	ZRVJUKNHJSBTRD-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1ccc(CF)cc1	2055668551	DPZMNWLPMKYPTD-LSDHHAIUSA-N	249.373	4.784	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@H]1C=CCCCC1	2056448372	FSBBEVUHNNDQKM-HRCADAONSA-N	248.410	4.764	0	10	BJAE	
CC(C)C1CC(CC(=O)C[C@H]2CCC23CCC3)C1	2056667487	GZLYFIJSJDTCKU-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H]1CCC[C@@H](C)C1	2056875120	CWPKLJLNZJKECH-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC(N[C@@H]2CCCC3(CCCC3)C2)C1	2059392967	YUOLNDBAKWMLQT-HWOWSKLDSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC[C@@]12CCC[C@@H]1C2	2061621637	HEGXXWVUTQDDCO-OIISXLGYSA-N	249.442	4.645	0	10	BJAE	
CC1([C@](C)(N)CC2CC(=C3CC3)C2)CCCCC1	2061665429	QEPCSOZFOUESQX-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
O=C1CCCCCC[C@H]1CC1CC(=C2CCC2)C1	2061697229	YTNMHTJMKUUEKV-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
C[C@@H]1C[C@H]1CCCN[C@@H]1CCCC12CCCCC2	2062609843	XAGCTFLOEXFWQA-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1[C@H]1CC(=O)CC(C)(C)C1	2063713543	MZQVGHZQKWRVQR-AWEZNQCLSA-N	244.378	4.502	0	10	BJAE	
CC=CCCC[C@H](NCC)C1CC2(C1)CC2(C)C	2063997471	VNNCWTMOEOAAKC-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(CCC(C)C)c1ccccc1C(C)C	2065993468	TVNIVWFMNCJILM-QGZVFWFLSA-N	247.426	4.810	0	10	BJAE	
C[C@@H](N[C@H](C)C1(C)CCCC1)C1CC2(CCC2)C1	2067529492	HWSNJEZKXOZOQU-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc([C@@](C)(N)C[C@@H](C)C(C)C)cc1	2069018878	LPDOSVAVLGTNQX-PBHICJAKSA-N	247.426	4.666	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C[C@@H]2CC23CCC3)C1	2069172958	DJADVVIJWDTHKG-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC1(CNC[C@@H]2CC23CCC3)CCCCCCC1	2069192510	GMCBSRGSIZBTOF-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCCC1(C[C@H](C[C@@]23CCC[C@@H]2C3)NC)CCC1	2069343399	ZJEYCDGIRBPDJW-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC[C@H]1C[C@H]2CC[C@H]1C2	2070412253	AQUJQIXNHMFYBF-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
C[C@H](NC[C@H]1CCCC(C)(C)CC1)C1CC=CC1	2070809072	WRYPYTGIRMVDDI-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1ccc(OC[C@@]23CCC[C@@H]2C3)cc1	2070917512	KNAQBHARPSZBNP-PBHICJAKSA-N	244.378	4.553	0	10	BJAE	
CCCC1CCC(CC2(N)C[C@H]3CC[C@@H]3C2)CC1	2072800481	DSTKCBGIIKFGTG-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC[C@H]1CC[C@H](C)CC1	2072801601	PJLQNQXZAASFPB-QRTARXTBSA-N	245.410	4.601	0	10	BJAE	
CCCCC[C@H](CC)NCc1ccccc1CC	2073343810	ZMPFOFCXCNJCOW-KRWDZBQOSA-N	247.426	4.698	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@]23CCCC[C@H]2C3)C1	2074092461	XPJNYWSRGMZTPE-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@H]2CCC23CCC3)CC1	2074646486	MXHVEPZUNZGLGY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CC[C@@]12CCC(C)(C)C2	2074900699	SGBFWBDWVHYOQE-BFYDXBDKSA-N	249.442	4.610	0	10	BJAE	
C1=C(CCN2CCCCC23CCCC3)CCCC1	2075146300	OOMUTRARYGSGKG-UHFFFAOYSA-N	247.426	4.676	0	10	BJAE	
C=C=CCC[C@]1(N)CCCC[C@@H]1C1CCCCC1	2075828623	FBPKPFIKPUUFSV-SJORKVTESA-N	247.426	4.576	0	10	BJAE	
C[C@@H]1CCNCCC1=C1CCC(C(C)(C)C)CC1	2076321278	DPFKZLAJXVEQOC-AFYYWNPRSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccccc1C1CC1	2077262630	WTYMHTFVRYRGSZ-GOEBONIOSA-N	243.394	4.945	0	10	BJAE	
CCCCc1ccc(C(=O)C[C@H]2C[C@H]2CC)cc1	2077932049	XGKFUXXVVHCREZ-GDBMZVCRSA-N	244.378	4.648	0	10	BJAE	
C[C@H]1CC[C@@](CC=C2CCC2)(CNC(C)(C)C)C1	2081681904	ITJHHHRJTMJMJU-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)C[C@@H](C)CC(C)C)c1	2082943168	YOJAULLTFUHAGP-YVEFUNNKSA-N	248.410	4.718	0	10	BJAE	
CCCC[C@@](C)(CN)CC1C2(CCC2)C12CCC2	2083579165	RCTXBYVVCWMWRW-OAHLLOKOSA-N	249.442	4.502	0	10	BJAE	
CCC1C[C@@H]2CC[C@@H](C1)N2[C@H]1CCC[C@@H](CC)C1	2084424457	IJGRXFPFRCYXQD-IWCQGFGOSA-N	249.442	4.608	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)CCCCCCC1CC1	2210526789	JIVGWXQYABQPPR-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC(C)=C(C)CCc1nc(C(C)(F)F)cs1	2210744053	FCYIXLNUMVDBMT-UHFFFAOYSA-N	245.338	4.544	0	10	BJAE	
C[C@@H](CN(C)CCCCC1CC1)CC(C)(C)C	2213530216	FIDAOHBSOVXADD-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCN(CCCCCCC1CC1)C1CCCC1	2213580134	XJLXZIIRTDJXTE-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](NC2CCCCC2)C1	2216248562	YGNTVXGNAZDHHS-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@H](CCCC(C)(F)F)NCC	2216273473	XKHWLHYSLDHZCX-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CC)C(C)(C)CCC	2216283499	SCUOLHNGVICYEE-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(=O)[C@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218334488	RSMMGYJTCJRUDG-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218339073	ZSWLZQDPSRGCRG-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
N[C@@](CCCCCCC1CC1)(C1CCC1)C1CC1	2218720673	LKSHQGVCEUASKQ-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC1(N)CC(C2CCCCC2)C1	2220872798	DLWJJPCTBZNWOG-OBTMHIKCSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CC[C@@H]1C1CC1	2223112197	ATLRCONCPRKBSU-IAGOWNOFSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H](CC)CCC	2244777792	MRWRYJKJMHFCTF-RRFJBIMHSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)C(=O)c1sc(C)c(C)c1C	2244787013	YOTGMHKPUDMPKD-LBPRGKRZSA-N	238.396	4.682	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(F)c(C)c1F	2246377226	DSUALMNYSBFSJK-LLVKDONJSA-N	241.325	4.654	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@H]1CCCCC12CC2	2246615031	QINJYAKOAHOCPS-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@](C)(O)CC[C@H]1CCC[C@H](C)C1	2246692213	KBGHGPFVWQWEKY-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)CC1CC(C)(C)C1	2247173387	RUVWSODLIFUEFB-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@](C)(N)C1(C)CCCCC1	2247435776	VQAVPCNYSCLUQC-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C(=O)CCCCC[C@@H]1C[C@H]1C)C1CCC1	2248867853	YAMVMXLQHHKDHL-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H](CC)CCC	2250363719	BADHMBXYKYPJPQ-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)CNC(C)C	2250528313	MPSIMYORAWZEEC-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2251164311	WJHZFVNVKOSNED-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C1CC(CC(C)(C)C)C1	2251541816	GSUBSUDHLRNYKA-IYXRBSQSSA-N	238.415	4.700	0	10	BJAE	
Fc1ccccc1OCC[C@@H]1CCCCC12CC2	2253815715	WEBXKYXNSFAZTN-ZDUSSCGKSA-N	248.341	4.565	0	10	BJAE	
N[C@H](CC[C@@H]1CCCCC12CC2)C1CCCCC1	2253870774	XBTJLOMNPNLTKT-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2253921099	NSXJPNWBLDGTKM-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)CC1CC2(CCCC2)C1	2254052259	ATFMIECVMXABDO-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)c1ccccc1F	2254535962	POYILNONERPKKQ-OLZOCXBDSA-N	248.341	4.615	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)CC[C@H]2CCCC23CC3)C1	2255246321	OASNNIYMHMTSQX-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CC[C@@H]2CCCC23CC3)C1	2255252528	BBORYFXWODTFQR-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C1(CC2CC2)CC1	2257244886	GAJYHLYRFSZQMR-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C=C1[C@H]2CCC[C@H]1CC(N)C2)CC(C)(C)C	2258072733	YCOYLAWCMHCAOC-CXJJLCSMSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@]23CCCC[C@@H]2CC3)C1	2260514676	BYIQSDUUZITTQI-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@]23CCCC[C@H]2CC3)C1	2260547469	QPPCKYNZXDOMIS-SUMWQHHRSA-N	248.410	4.742	0	10	BJAE	
c1cc(C2CC2)ccc1NC[C@]12CCC[C@H]1CC2	2260577012	BYONBQQJUGXKJO-DOTOQJQBSA-N	241.378	4.556	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@@]23CCCC[C@H]2CC3)C1	2260583165	NHCQAYUFFAQHRT-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)c1cccc(C2CCCC2)c1	2260730108	OPULQQSHJSUTOJ-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CCC(CC)CCN(C)CC1CC(C)(CC)C1	2300682499	ZLIZTYXMNKFZQN-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCN[C@H](CCC(CC)CC)CC[C@@H]1C[C@H]1C	2300682682	BADGKOSSBIYEAB-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCCCCN(C)CC=C(C)CCCC(C)C	2300884515	ULUIMJKXDLFWHU-UHFFFAOYSA-N	239.447	4.881	0	10	BJAE	
CCN[C@H](CC=C(C)CCCC(C)C)C(C)C	2300937201	MGRAMAWAJRHGEA-MRXNPFEDSA-N	239.447	4.783	0	10	BJAE	
CCCC1([C@H](N)CC2CCCCCC2)CCC1	2301139009	CFQCTPKXPRLPEI-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](CC[C@]1(C)CCCCN1)C1CCCCC1	2302539911	OUOQFOMFHRMRIO-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C1(CC[C@@]2(C)CCCCN2)CCC1	2302542066	HTERGDCVTZTOQM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCNCC1(C[C@@H](CC)CCC)CCCC1	2307764600	YUYZFCWXLPZNOW-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC[C@@H](C2CC2)C1	2307822277	HQTIZPLXRGJHLT-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(N)C[C@@H]2CCCC[C@@H]2C1	2307828553	KBMOSBLTGXTHBL-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2307926727	QIIFWAMYWUNGLX-LJISPDSOSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@](O)(C[C@@H]1CCC[C@H]1C)c1ccccc1	2308075691	RFQRADGRWIAZMT-HLLBOEOZSA-N	246.394	4.501	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C[C@@]12CCC[C@@H]1C2	2310386058	NPJFEBQJJANZLC-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@@H]1C[C@H]1C(C)C	2311513131	SHMDDMWRIIEAMY-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1C[C@@H]2CC[C@H]1C2	2312905035	IQXWTSTYQJXPDD-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313177969	PTECORFHPBQWCF-UIEKQHFFSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@H]1C[C@@H]1C1CCCCCC1	2313705818	WXBSVHPLZHYNEY-WQVCFCJDSA-N	248.410	4.598	0	10	BJAE	
CCc1cc([C@H](O)CC2(C)CCCC2)ccc1C	2314694708	MVURHQRXTMOLLE-MRXNPFEDSA-N	246.394	4.561	0	10	BJAE	
CCC(CC)CCN1[C@H]2CCC[C@H]1CC1(CC1)C2	2316245553	KIRFUCDAAKWJSG-HOTGVXAUSA-N	249.442	4.610	0	10	BJAE	
CC=C(C)C(N)(C1CCCCC1)C1CCCCC1	2316368284	XUFKRBZIGXJKAC-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC(=CCC(=O)c1ccc(C)o1)CCCC(C)C	2316504500	WSJNEUMPYANUOQ-UHFFFAOYSA-N	248.366	4.933	0	10	BJAE	
C1=C(CCCN[C@H]2CCC23CCCC3)CCCC1	2318521198	FZAYHLFNAXDFRK-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CC1(C)CCC[C@@H](CCCC2=CCCCC2)[C@H]1N	2318594752	JBBFFBSDEQJMAF-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)C[C@@H](C)C1CC1	2318595248	NRPMEUPWWUICBT-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCc1cc([C@@H](O)CCCCC2CC2)ccc1C	2318871211	BMRQKLFAACEIIU-KRWDZBQOSA-N	246.394	4.561	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CC[C@H]3CCCC[C@H]3N2)C1	2319127677	BUFKTVFGIDOJGB-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)[C@@H]2CCCC3(CC3)C2)C1	2319325617	HUOZFHWZIMFMSY-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CN[C@@H]1C=CCCCCC1	2320161551	XVTXIURTOPVPEV-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@H]2CCC2(C)C)c1	2320521808	TWKGRBQFSPOPFX-HZPDHXFCSA-N	246.394	4.670	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@]3(C)CC=CCC3)(C1)C2	2321577100	DUIPXKWSRADRNU-KLAILNCOSA-N	246.394	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)C[C@@H](C)c2ccccc21	2328210065	OBOSKNMGGFFCMH-KEYYUXOJSA-N	246.394	4.598	0	10	BJAE	
CC(C)CCN[C@@H](C)c1ccc(C(C)(C)C)cc1	19230285	KAJWYDQGWNSGPB-AWEZNQCLSA-N	247.426	4.681	0	10	BJAE	
CCCC(CCC)Nc1ccc2c(c1)CCC2	20020782	CVMNRCBDCWOGRT-UHFFFAOYSA-N	231.383	4.556	0	10	BJAE	
CC(C)CNc1ccccc1Oc1ccccc1	20547943	TVPLAMYKVGEXPY-UHFFFAOYSA-N	241.334	4.547	0	10	BJAE	
CCCC[C@@H](CC)Nc1cccc(SC)c1	68985289	QWVKAKGKULOERL-GFCCVEGCSA-N	237.412	4.789	0	10	BJAE	
CCCCC[C@@H]1CCCCC[C@@H]1NCCC	71084116	BJMSTGNZQYAYJO-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](N[C@@H](CC(C)C)c1ccccc1)C1CC1	86117602	KELZXZYYCRTELR-SJORKVTESA-N	245.410	4.552	0	10	BJAE	
CC(C)CC[C@@]1(O)CCCC[C@@H]1c1ccccc1	87164414	UOVJHXFVDQUAAV-SJORKVTESA-N	246.394	4.512	0	10	BJAE	
CCC1CCC([C@H](N)c2cccc(C)c2C)CC1	87934355	GCHXEQJEPUHQKF-DQPZFDDXSA-N	245.410	4.520	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H]2CC[C@@H](CC)C2)cc1	88011130	WPFJFRWDBBTVBD-CZUORRHYSA-N	244.378	4.648	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](c1ccccc1)C1CC1	88296745	OOFCRAOQNCXMKQ-ZQIUZPCESA-N	245.410	4.552	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCCC2(C)C)cc1C	94322264	JBEBJKFYOJSAOX-GOEBONIOSA-N	245.410	4.533	0	10	BJAE	
CC(C)COc1ccccc1N[C@@H](C)CC(C)C	109911497	OLADUPQASKYQSB-AWEZNQCLSA-N	249.398	4.568	0	10	BJAE	
CC[C@H](Nc1cscc1C)c1cccs1	134324805	LBILKRNZHMLBPU-JTQLQIEISA-N	237.393	4.681	0	10	BJAE	
Cc1cscc1N[C@@H](C)c1sccc1C	134328077	LSZXFFLWEQDFKH-JTQLQIEISA-N	237.393	4.600	0	10	BJAE	
CCC(CC)c1cccc([C@H](C)CC)c1N	139145672	MZARGHXUAIGPHF-LLVKDONJSA-N	219.372	4.686	0	10	BJAE	
CC(C)CCC[C@@H](N)c1cccc2ccccc12	165840640	MJMWQQRQUUOXCC-QGZVFWFLSA-N	241.378	4.666	0	10	BJAE	
Cc1cc(C(=O)C[C@H](C)CC(C)(C)C)cs1	168466705	NCVAWEABMWRJNO-JTQLQIEISA-N	238.396	4.702	0	10	BJAE	
Cc1ccc2cc(C3CCCCC3)ccc2n1	211835982	MGVGFPMPSGVSTF-UHFFFAOYSA-N	225.335	4.591	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@@H](C)[C@@H]1C	222322680	RCPYMEWUWPYWAG-FXUDXRNXSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCCCC2(C)C)cc1F	226803479	KLTAGTSQNMQEEC-ZDUSSCGKSA-N	248.341	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCC[C@@H](CC)C2)C1	226988720	JUNWXNJOSJIBMT-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC[C@@H](N)C1	227157357	QYJOZEQEXMCUDJ-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](CC1CC1)Nc1ccc2sccc2c1	229678566	LCFQVSCOCXGTBP-JTQLQIEISA-N	231.364	4.502	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCC[C@H](CC(C)C)C1	230786657	MEPDWPXKWZQNGB-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CCC1(CNC2CCCCCCC2)CCCC1	232993095	NGMGKNBUDYGWCC-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(C2=CCCCC2)CC1	233363991	NKIYKSJXFZRJMC-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](CCC(C)(C)C)NC)C1	251626095	LUQSGGQRAGKAMP-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NC(C)C)[C@@H]1CC[C@H](C)[C@@H](C)C1	252611918	VXZYFMAJWORSAC-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
CCCCCC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	253185783	IGJRIUUTKQFPFT-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
C[C@H](CCN)c1cccc(C2CCCCCC2)c1	258374832	QPMILSBUWDKGPQ-CQSZACIVSA-N	245.410	4.577	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2CC(C)=C[C@H](C)C2)C1	300079165	QUZIWJVUPLEWHP-SVGFKBNWSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(CN[C@@H]2/C=C/CCCCC2)CC1	302525776	WYRAOUVKKATFFQ-QNJBZUKPSA-N	249.442	4.681	0	10	BJAE	
CCc1ccccc1N[C@H](C)CCC(C)(C)C	302544028	UIJNYIBQOJULFU-CYBMUJFWSA-N	233.399	4.876	0	10	BJAE	
CCc1c(Cl)cc2ccsc2c1Cl	307421801	BMCFVUOPYUPNOS-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CCC(C)(C)C)NC	308049381	KLUOVTAVGIWTAE-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CCCC(C)(C)C	308066070	MVXCWUNWEYRPCG-KBPBESRZSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1CC[C@H](NCC(C)(C)C2=CCCC2)[C@H](C)C1	308761097	ZKERYRYMSWRPCS-FMKPAKJESA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(OCCCC(C)(C)C)cc1C	309249764	ZJSZWCNGOOODFF-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
C[C@@H](C[C@@H](N)CCCC(C)(C)C)CC(C)(C)C	309992260	UTDULCGBEARGHM-KBPBESRZSA-N	241.463	4.993	0	10	BJAE	
CC[C@@H](CNC(C)(C)C)CC1CCC(C)CC1	310103541	CFOWQMZMYLNSTK-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](C)[C@H](N)c2ccccc2)C1	310979784	JMKQAZJAGYGDDY-AIANPOQGSA-N	245.410	4.539	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCCC12CCCCC2	313042894	MFPSBXSYKHWANW-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](Nc1cccc(F)c1C)C1CCCC1	313409293	MYLBPJGYJACXCJ-INIZCTEOSA-N	249.373	4.905	0	10	BJAE	
CNC[C@]1(CCC2=CCCCC2)CCCC[C@@H]1C	316858767	STEVQGQGAREITJ-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CCC1(C[C@]2(CNC3CC3)CC[C@H](C)C2)CCC1	317837915	QOAKOLARRMORNT-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](NCCC)C(C)(C)C1CCC1	322653651	YSCCVMBIHTVHFK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C1CCC(NCC2=CCCCC2)CC1	379583064	QTCFSWHNDBVPLC-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1CCC(C)CC1)NC	379758877	ANJWJPXBVASDFH-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@]1(O)CCCCC12CCCC2	379965225	FOSHUDUAWDHYAC-MRXNPFEDSA-N	238.415	4.822	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](CC2CCCCC2)C1	382442879	BIHORUNQPKPFGV-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H](C)c1ccccc1	383088881	BRCHJLUTISLMCS-HNNXBMFYSA-N	246.394	4.966	0	10	BJAE	
CC(C)CCCCC[C@H](C)[C@H](N)c1ccccc1	383370879	JHJRHBCFQLOJHP-RDJZCZTQSA-N	247.426	4.929	0	10	BJAE	
CCc1cc(N[C@@H](C)CC(C)(C)C)ccc1C	384679709	DJLUYUSTXBIYFC-ZDUSSCGKSA-N	233.399	4.794	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1cccc2ccsc12	386194974	CSUJGXSANYUNQC-YPMHNXCESA-N	245.391	4.892	0	10	BJAE	
CCc1c(C(F)F)ccc2scc(S)c12	396252662	USWHMPMJJFERSB-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CSc1ccc2scc(F)c2c1C(F)F	396261064	ZSHAVDDQDXGTER-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCCC1CCC([C@H](CC2=CCCC2)NC)CC1	400448699	FHOZRBOOQKSFJG-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(C[C@H]2CC=CCC2)CC[C@@H](CC)C1	402290607	YGXSXQOECNKCMD-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H](C)C(=O)CCC(C)(C)C1CC1	405769839	KKGPZIVOCWUUPD-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC1(C[C@@]2(CC(C)C)CCCN2)CCC1	686133234	UJIZNOGTGNFFII-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)NCC1(C(C)C)CCC1	687274503	VOMMYPYMDNJEMG-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)NC[C@@H](C)[C@@H](C)c1cccc(C(C)C)c1	688971921	VMQFMAOFFJPMIU-HUUCEWRRSA-N	247.426	4.548	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](CC)C2CCC2)c1	689512114	QOAWPXJMBGPPPY-INIZCTEOSA-N	245.410	4.802	0	10	BJAE	
CCc1cccc(N[C@H]2CCCCC[C@H]2C)c1	691070096	HTCBLNRUBVIWPT-CJNGLKHVSA-N	231.383	4.630	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1ccc(F)cc1C	691140297	QDKHVOSSMUDWDD-BBRMVZONSA-N	249.373	4.905	0	10	BJAE	
CCCC1CCC(NC[C@@]23CCCC[C@@H]2C3)CC1	693549333	QITOVPROZVTRIH-MYBQVCMBSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CCN[C@@H]2CCC23CCCC3)CC1	693893472	APKYLWNIZFLMBO-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)c1ccc(C)s1	695097945	IWBLJQFLGRJJHP-NWDGAFQWSA-N	239.428	4.532	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCC[C@@H]1C(C)C	696678291	NEZYLCCBURGWOC-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC1C(C)(C)CCC1(C)C	699591797	BDCRTJPQWMGUPD-QWHCGFSZSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1scc(C)c1Cl	701181246	SCMFJLDYUABXIB-NSHDSACASA-N	245.819	4.536	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H](CC)CC(F)F	701539667	WRBGMVLXVQZKAY-AAEUAGOBSA-N	249.389	4.602	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@@]12CCCC[C@@H]1C2)C1CCC1	709249253	ROLHLTSFPRBCLC-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CC[C@H]2CCCC[C@H]21	714303482	KGSMTYMIMORNQP-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CC/C=C/C[C@H](CC)c1ccccc1OC	714549448	FSYBZBDWGGPICT-YBJDMEARSA-N	218.340	4.545	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)CC[C@@H]1CCC(C)C	717460367	BZIKXOGVLRTIAJ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)c1cocc1C	718573671	IUWRKVOBBNGYDH-MRXNPFEDSA-N	249.398	4.765	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1CCCCC1	718655450	XZWDQNGWKIWOSJ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@H]1C[C@H]2CC[C@H]1C2	719203764	KNKOWSYOKDEQEN-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1CCCC2(CC2)C1	719259751	KYMIVICFPOUGFW-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CNC2(CCCCC2)[C@@H]1CC1CCCCC1	721027337	GAXAMVOGWOHACS-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@H]2CCC[C@@H]21	722074756	JQNRLPBZOZIABT-UKPHBRMFSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@H]1C[C@H]1CC	723080072	TUUBTOUMOUGTFO-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(CN[C@H]1CCCC12CCCCC2)C1CC1	1308958806	QBLNAHAHKCLJDJ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)S[C@@H](C)CC(C)C	1459060953	GGYIQLPKTOOOCK-RYUDHWBXSA-N	202.407	4.733	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NCC1(C)CCC2(CC1)CC2	1875708415	GUSCJIFJAUJEGI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@H](NC)c1csc(C)c1	1900696596	KPONPAOGSDLLIL-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
COc1cc(C)c(Cl)cc1CCCC(C)C	1901881955	YOYQACWVBSSUIK-UHFFFAOYSA-N	240.774	4.636	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccccc1Cl	1905295456	WCPWJKDHVBNAKE-NSHDSACASA-N	238.758	4.739	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1csc(C)c1C	1905399779	ZFYRMTAZQXVFAA-GXTWGEPZSA-N	240.412	4.615	0	10	BJAE	
CCCC[C@](CC)(CNCCC)C[C@@H]1C[C@@H]1C	1909546790	ITMWVRIKAZUTDC-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1C[C@H]1C(C)C	1910727828	SAPWRFLGVVDZCO-ZFWWWQNUSA-N	231.383	4.514	0	10	BJAE	
C[C@H](CC=CCCNC(C)(C)C)CC(C)(C)C	1911855005	ABJPCWWVPPZODU-CQSZACIVSA-N	239.447	4.783	0	10	BJAE	
C=CC=CCC[C@]1(CNC(C)(C)C)CC[C@H](C)C1	1911922459	KMAXZPOVODLRLT-RDJZCZTQSA-N	249.442	4.703	0	10	BJAE	
C=CC=CCC[C@H](CC1CCCCCC1)NCC	1912096168	GBAWPTQVKVBMQD-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CC(C)(C)CC[C@H]1CCCCCCCC[C@H]1O	1913404720	PFABMHYPQNDBTE-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)c1cccc(C(C)C)c1	1919941246	RIFQFWQXJMBROE-PBHICJAKSA-N	248.410	4.844	0	10	BJAE	
CCC1CC(C(=O)C[C@H](C)C2CCCCC2)C1	1921321211	VYDGDZGPFYSMBX-OPFPJEHXSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCCC12CCC2	1921492721	AHTRATOPCOTLOF-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NC[C@H]2C=CCCCC2)C1	1925819511	LJNKEPSZBLIAOM-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCc1cc(NC[C@@H]2C=CCCCC2)ccc1C	1925930323	OPMQGMXCHCLVLQ-OAHLLOKOSA-N	243.394	4.716	0	10	BJAE	
CCC[C@H](NCCC(CC)CC)[C@H]1CC1(C)C	1926181385	ASFUOTOEYYPWHH-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC(CC)CC	1926377891	KSIKNYDSLAQUGF-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCC(C)(CC)CC	1936271330	PGYYRLOUQXQEJN-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC[C@@H](C)CCC(C)C)NCC	1937175245	WBODOFBJTFLPNM-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC1CCC(O)(CC2(C)CCCCC2)CC1	1940409161	OBNQYKDGNBLUQL-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C(=O)[C@H]1CCC[C@H](CC)C1)C(C)C	1941263297	AHFRNEVVEWADSJ-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CCCC12CCCC2	1941349225	CMSUEEWDRXNLSJ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C(C)(C)C1CCCCC1	1944619017	SJXVOYCQUWNMHO-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCCCC1(F)F	1947304171	JDGKWFFFRZETFQ-STQMWFEESA-N	247.373	4.513	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CCC[C@H](C)C1)NCC	1948434098	WUBZFJKDVRZKJS-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1csc2nc3c(n12)[C@@H](C)CC[C@@H]3C	1948482555	PCXGFWFURWAZOI-UWVGGRQHSA-N	248.395	4.520	0	10	BJAE	
Cc1cc(N[C@@H](C)c2ccco2)c(C)cc1Cl	1948810562	ZARVRAHHXLGIIT-NSHDSACASA-N	249.741	4.723	0	10	BJAE	
CCCC1([C@H](N)C2CCC(CC)CC2)CCC1	1948934258	WVUNYJKJCIINQN-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)[C@H](C)C1CCCCC1	1948982715	XSVOOMFNKCPRDP-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CC1([C@H](N)CCC2CCCC2)CCCCCC1	1948983710	GMCBFXMIMJJOLU-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@@](C)(N)CCC[C@@H]1CC1(C)C	1949050389	DGGWYHPXHZTCPH-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc(NC[C@H]2CC23CCCC3)c(Cl)c1	1950668168	KPXGACHXSKVJFV-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CCC(CC)[C@@H](NC)[C@H]1CCCC(C)(C)CC1	1950917205	DOAYQUPAYLKYRK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)[C@H]1CCC[C@@H](C)CC1	1950923822	IRIVXJDBNXIZHJ-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CC2(C)CCCC2)CC1	1950930060	MIBCAZGPNWDZBC-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC1([C@H](CCCCCC2CC2)NC)CCC1	1951237310	XHRXNZQHJHARPP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC=C[C@H](C)Cc1cc(C)ccc1OCC	1951308626	KJIPHIFJXDCULO-ZDUSSCGKSA-N	232.367	4.539	0	10	BJAE	
CC=CC[C@H](CC)c1cc(C)ccc1OCC	1951308639	KQMWRDLUQVBCQX-AWEZNQCLSA-N	232.367	4.854	0	10	BJAE	
CC1(c2ccc(NC[C@@H]3CC=CCC3)cc2)CC1	1966026963	DGYPNLQLCGFXHD-CQSZACIVSA-N	241.378	4.506	0	10	BJAE	
Cc1ccc(C)c(NCC[C@@H]2CCC[C@H](C)C2)c1	1968230614	SNRXVTPSZFSFIW-BBRMVZONSA-N	245.410	4.932	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@@H]2CC(C)C)c1	1968307634	NDWZMVXFNFNBPF-GDBMZVCRSA-N	231.383	4.540	0	10	BJAE	
c1csc(-c2nc(C3CCCCC3)cs2)c1	1968378137	WLUSXZNSJDGHDT-UHFFFAOYSA-N	249.404	4.919	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC2(C3CC3)CCCC2)C1	1970876503	HOHFMXIITZJSTI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)CNC[C@H]1CCCC(C)(C)C1	1973171332	NLWQJRVUVRZVIX-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H]1CCCCCCC[C@@H]1O	1980351180	MAEOLRKMTXMMOF-GJZGRUSLSA-N	226.404	4.678	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H](CCC)CC(C)C	1984637192	ABWGTAHHOWZODH-GJZGRUSLSA-N	225.420	4.523	0	10	BJAE	
CC(C)=C(C)C1(N)CCCCCCCCC1	1989664434	KGTGHRZRDFDEFK-UHFFFAOYSA-N	223.404	4.565	0	10	BJAE	
CCCCCCN(C)C[C@H](C)CC(C)(C)C	1991244200	COWZCTZFYRWCGF-CQSZACIVSA-N	227.436	4.571	0	10	BJAE	
CCCC[C@](C)(N)C[C@@H]1CCCC(C)(C)C1	1994028426	COYPNAVBSZMYDV-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](c1nc(C2CCCC2)cs1)C(C)C	1995498298	MXCVSWLRLRHPHI-LBPRGKRZSA-N	237.412	4.950	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)C1CC(C)(C)C1	1998658416	RFYRPFPPAJKDHC-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCC1([C@H](O)[C@H]2CCCC(C)(C)C2)CCCC1	2000025843	YECLQRZNGPWKHT-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCNCC(CC)(CC)[C@@H]1C=CCCCCC1	2000500701	XHHJXNCWKGMGEU-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC1(C[C@H](N)CCCCCC2CC2)CCCC1	2003179456	OLPHYGVASMPPBF-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C(=O)C[C@H]1CCCC2(CC2)C1)C(C)C	2003276598	ZYQJWWBHTDYFBA-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCCCC1CC(O)(CC2(C)CCCC2)C1	2009716603	WEXZZHMHZZXHBL-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H]1NCC[C@]1(CC)C1CCCCC1	2009774730	UHJGHUNBCZRAFZ-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](C)NCC[C@]12CCC[C@H]1C2	2010996380	ZIHKRGIQFDNAHL-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H]1CCCCCC12CC2	2011271790	MXTINIYJXNHPNV-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)CCN[C@H]1CCCCCC12CC2	2011275566	TWZYOKILIIINLC-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCCCNc1ccc(C(C)(F)F)cc1	2012750835	XVNNZHOHUSJLKY-UHFFFAOYSA-N	241.325	4.791	0	10	BJAE	
CC1([C@@](C)(N)C2=CCCCCCC2)CCCC1	2014325169	JZEQQAVPZHJPDO-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H](C)C1(C)CCCC1	2014336248	CHBYTBGJGUNASI-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)C1(CC)CCCC1	2015274062	ITPXTHMVRCFNIO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CCC(C(C)C)C(C)C)CC1CC1	2015341201	YHGTVSVRJCZPMN-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)CCN(C)CCC(C(C)C)C(C)C	2015389202	TVXYJBWAJLOUOV-OAHLLOKOSA-N	241.463	4.673	0	10	BJAE	
CCCN(CC1(CCC)CCC1)C1CCCC1	2015595225	LJDKGGJTVRKNPA-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
C[C@H](CC(=O)C1(CC2CC2)CC1)CC(C)(C)C	2015749139	LBNRUFQHFPPGSF-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CC1(C(C)C)CCC1	2017126496	BOGFJCOAVCPWHU-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H](C)C(C)(C)C)CC1	2017663236	QINSDGKXRITBAB-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)CCC2(C)CC2)CC1	2017716438	RZFVOMDNFWHRKA-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CC[C@H]2CC)CC1	2017722490	QCJXKLCZQWPFLJ-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H]2CC[C@H](CC)CC2)N1	2017736639	YODQXTCVJWEOBT-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC(C[C@H]2CCC(=O)[C@H]2CC)CC1	2017774635	QZTPMNDGUCQMBN-CVSAEHQPSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@H]2CC[C@H](C)CC2)C1	2017776984	XHOSFZDARUHASX-JOCQHMNTSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC1(CCC)CC1	2018993691	HBIGDFOZOLVIKB-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCCN(C)[C@H](C)[C@@H]1CC1(C)C	2019343840	FJCDROXQRFVGGH-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
C[C@@H](CC1(O)CCCCCCCC1)C1CCC1	2019776036	BXVSBSAZVZMCBN-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@H]1C[C@H]1C1CCCCC1	2022556756	IOPNNGFKQHGSEK-NOLJZWGESA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1C[C@@H]1CCC=CCCC1	2024605984	PWCOJQVOHQROJA-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1cc(C)c(C)o1	2026074995	QWPNLOSZPXPLSV-RISCZKNCSA-N	237.387	4.503	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC1CCCCC1	2026167964	WMAWVVUMKBXMAP-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H]1C[C@@H]1C(C)C	2026169624	JUSYJNDXEQGNOD-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](N)(Cc1ccccc1C(C)C)C(C)(C)C	2027464509	AGQRSGXVGNJSRX-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
C[C@H](C[C@@H](O)CCCC1(C)CC1)c1ccccc1	2027830056	AJSXSQUURHPYGF-ZBFHGGJFSA-N	246.394	4.512	0	10	BJAE	
C[C@H]1C[C@@H]([C@](C)(F)c2cccc(N)c2)CC[C@H]1C	2027940186	MFDQGXCRTCPRAF-TWJWRFFLSA-N	249.373	4.526	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cccc(C2(C)CC2)c1	2028561085	WXHXGBFFJAMGGL-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
C1=C[C@@H](NCCC2CCCCCC2)CCCCC1	2028788645	FEJVOUVGYLCSKR-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@H]1CC12CCC2	2032141201	JKLAQOKKTPEPOG-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC(C2CC2)C2CC2)C1	2032150099	BVIYIEWLPRANAA-SWLSCSKDSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1NCC(C)(C)C1CCCC1	2034019315	QKXJVLFQTXJXOK-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCC1)C1(C)CCCC1	2035576922	UGDOXOSJAQVLAN-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1CCCCCCC1)C1CC2(CC2)C1	2036174997	GBQJPKYUPODFDZ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@@H]1C=CCCC1	2037304783	INKRUAGGAVVMSH-UXLLHSPISA-N	247.426	4.587	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@@H]1CCC2(CC2)C1	2038574457	FNVGZYLDAHXFAH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(NC[C@@H]2CC23CCCC3)c(C)c1	2039092603	QUFVKZASTXDKDH-HNNXBMFYSA-N	243.394	4.604	0	10	BJAE	
C[C@@H](NC[C@]1(C)CC=CCC1)C1(C)CCCCC1	2042067233	HTBQMVXBTDYPIO-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC1(CNC(C)(C)C)CC=CC1)C1CCC1	2042086400	FKIJWZMLOMPJNI-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC1C[C@H]2CC=CC[C@@H]2C1	2042347918	OWUSPIBVNBDEDZ-JJXSEGSLSA-N	249.442	4.536	0	10	BJAE	
N[C@@]1(C[C@H]2CCC=CCCC2)CC12CCCCC2	2045317038	IRYIMWNAXKYFGD-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1CC[C@@H](C2(N)CCC3(CCCCC3)CC2)C1	2045666091	NQRWJMJXSASYIH-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CC12CCCC2	2047026996	OKDBINGFTOATBF-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049212592	UAEDJULAKWZCCG-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C=C(CN)C2CCCCC2)CC1	2049347869	IXILDVGMQBVRNG-UHFFFAOYSA-N	249.442	4.668	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)CCC2=CCCCC2)C1	2049537907	VSKSUGCENNTQIJ-USXIJHARSA-N	249.442	4.811	0	10	BJAE	
CC(C)=CC[C@@H]1CC(C)(C)CC[C@H]1CNC1CC1	2051408607	MCTPNXPDHBLNAE-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)c2ccc(C)cc2)CCC1	2055539133	HFIUHTZUTXTVAO-NVXWUHKLSA-N	243.394	4.535	0	10	BJAE	
CNCC1(C2CCCCCC2)CCC2(CC2)CC1	2056561980	FHYWNAIZEXJWCZ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC1CC(COc2ccc(C(C)(C)C)cc2)C1	2056665527	DSTUHALYSVYMKD-UHFFFAOYSA-N	246.394	4.799	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)C2(C)CCC(C)CC2)CC1	2061087485	GGKOODDQXQBGOQ-OBKBAYEDSA-N	249.442	4.667	0	10	BJAE	
CCCCC1(CNCCC)CC2(C1)CC21CCC1	2064005104	KBCKJECNFDDRJK-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)=C(C)CCN1[C@H]2CCC[C@H]1CC1(CC1)C2	2066253581	YEJSDPUMQROAMH-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
CCCN[C@H]1C[C@H](C2(C)CCCC2)C12CCCC2	2067499373	WWUYBVRCFZMIAN-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@]1(CCC1CCCC1)CNC1CC1	2068233303	MWTCICRRTNOQJJ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCC1(CC2CC2)CC1	2069506743	GZRLOPGNEBCKND-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C1(CC2CC2)CC1	2069517631	OJKYEBUDMURUNJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C2(CC3CC3)CCC2)C1	2069520391	XWNJRIMZKJHMNF-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCCCC1)C1(CC2CCC2)CC1	2069581071	OLJUMVHTDVYFFW-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C1=CC[C@H](C(C)C)CC1	2070311046	UFLVOVPERHGNPI-DOTOQJQBSA-N	249.442	4.833	0	10	BJAE	
CC1(CCN[C@@H]2CC[C@H]2C2CCC2)CCCCC1	2071785362	GZPRCVQSTUCXPZ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC2[C@H]3CCC[C@H]23)CC1	2072700056	GGGFXOZAKDCCGG-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CNC23CCCC3)CC1	2072822713	XGLYZTAMMYWWGI-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@](N)(CC)CCCc1ccccc1	2073340720	NMZQOMJYGIIGIW-KRWDZBQOSA-N	247.426	4.697	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@]23CCCC[C@H]2C3)CC1	2074090747	LDINLEBSIBVWSP-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CN([C@H]1CCCC(C)(C)C1)[C@H]1C=CCCCCC1	2074809410	KCDCNOPPNVIDSW-HOTGVXAUSA-N	249.442	4.776	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCCC2)CCC[C@H](C)C1	2075366253	WKKVDSZVRGVWMV-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H]1CCCCC12CC2	2077196569	MTICKJWGDTYGMR-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@H]1C[C@H]1C1CCCCCC1	2079482796	DYGLVJBLYJSCJO-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2C[C@H]2C2CCCCC2)CC1	2079630526	WLNIUFHVVZRMJC-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)C1CC2(CCCC2)C1	2079842337	NRADKGWEQYIPOV-JSGCOSHPSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079860120	CSWWIWDGNRLMBW-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1C2(CCC2)C12CCC2	2083553598	USXUTGQBQAUIHK-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](CC)NC1C2(CCC2)C12CCC2	2083560713	KRRBSHJZQLYCPW-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CC1(C)C[C@H](Nc2ccc(C3CC3)cc2)C1(C)C	2084360961	IBDNBHNYLYWCJQ-HNNXBMFYSA-N	243.394	4.801	0	10	BJAE	
CCC1CC(C[C@@H](N)c2cccc(C(C)C)c2)C1	2085000136	FMYIWMFKDWVENK-MQBCKMQZSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](C)CCNCCCCCCC1CC1	2213580653	NEOLWWNGOGNLCO-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
Fc1ccc(Cl)c(CC=Cc2ccccc2)c1	2213825858	ZMDQTMMLQNQRBV-UHFFFAOYSA-N	246.712	4.735	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CCCCC1CC1	2214572568	FHCSSDOLSJYFDZ-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@@H]1CC[C@@H]1C	2214934387	OPKLNORXMOIOCY-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CC[C@H]1C[C@H]1CC)CNC	2215265875	MNLLDGKZTGYDRR-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)C1CCC(C)(C)CC1	2215332015	MOSPXJIEECYPNG-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@]1(N)CCC[C@@H](C(C)(C)C)C1	2216252480	KJMJHGNJGCVYET-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCCCC(F)F)C1	2216521673	JUNQHGYHLHFNHF-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CCCC(C)C)C(C)(C)C	2217124095	DORAKODSBPFXCH-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC(C)c1ccccc1NC1CC(CC2CC2)C1	2218479861	IMJCGCIJWTXOHA-UHFFFAOYSA-N	243.394	4.801	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)C[C@H]2CCC[C@H]1C2	2218718786	RCPVGCLFENTGSV-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CC1(CC2(N)CCC(C3CC3)CC2)CCCCC1	2218894798	ZECKMEWZDNVUFZ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CCCCC1CC1	2220030106	JBTZUDGBFYDBNR-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CC[C@H](C(=O)CC[C@H]1C[C@H]1CC)c1ccccc1	2220964377	WTEPVQRXKLCMSZ-KBMXLJTQSA-N	244.378	4.576	0	10	BJAE	
CC1=C(C)[C@](O)(CC2(C)CC3(CCC3)C2)CCC1	2221129244	JNXMPFZGYDITCS-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@](CNC(C)C)(CC2CCCC2)CC1	2221649840	YIFYSCMQYCBMLS-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](CNC2CC2)([C@@H](C)CC(C)C)CC1	2221668622	PXDJSHUJEHOECO-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CN(CCCCCCCC1CC1)C1CC2(CC2)C1	2223109084	HRFFHCAZDMMWGZ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)c1ccc2occc2c1	2224146171	KUJFSZWVCLLPCI-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccc(Cl)cc1CC	2243665593	SLXWZPPHZOYVNF-JTQLQIEISA-N	238.758	4.521	0	10	BJAE	
CCC[C@H](CC)C(=O)CCC[C@H]1CC1(C)C	2244767972	ROUWPCTVHMBAPV-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC1(O)CCC1	2244847911	VDRJDGMVSBUJIC-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC[C@](N)(CCCC[C@H]1C[C@H]1C)C1CCCC1	2247175747	KTOGRWHQSPKJDU-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCc1ccsc1CNc1cc(C)cc(C)c1	2248001348	JLHWGCKTTXCMKR-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)[C@H]1CC12CCC2	2248275750	OMGYZJPVIQRFJM-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CC(C)C(NCC(C)(C(C)C)C(C)C)C(C)C	2248356807	MAOFUCMSBQJHAS-UHFFFAOYSA-N	241.463	4.575	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@](C)(O)C1(C)CCC1	2248865433	JBRASWXCJJORQI-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@H]1CC[C@@H](C)CC1=O	2248865874	MDEOCILLHBMUBX-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](Nc1cc(C)c(C)c(C)c1)C1CC1	2249491705	VOARCFFRQYDMLL-INIZCTEOSA-N	231.383	4.602	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cccc2ccsc12	2250362275	TYQVZFUDISTSTO-RISCZKNCSA-N	247.407	4.727	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCCC1CCC1)NCC	2250362868	XGUVXXRUXVGWBR-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CNCCC1CCCCCC1	2250389208	HEFZFJSFIXPCMW-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)C[C@@H](O)CC1CC(CC(C)(C)C)C1	2251585474	YNRONXPEWNQMKU-VXGQWTEUSA-N	240.431	4.636	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2CCCCC23CC3)CCCC1	2253807547	CVVUJRFIVVUEMM-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2(CN)CCC=CCC2)C1	2253938640	MWTCHNKCNIPPJH-CVEARBPZSA-N	249.442	4.668	0	10	BJAE	
Cc1cccc([C@H](O)CCCCC[C@H]2C[C@@H]2C)c1	2254541512	AFIPTAARRSWKEB-YQQAZPJKSA-N	246.394	4.635	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@H]1C=CCCC1	2255092603	AIWCCJFAUHFRPN-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC(C)(CC[C@@H](N)C[C@@H]1CCCC12CC2)C1CC1	2255233161	IDBGRTPAIPACSO-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC[C@@H]1CCCC12CC2)c1cccc(N)c1	2255258817	LFZBENBUANSWIY-HIFRSBDPSA-N	243.394	4.733	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@H]1C[C@H]2C[C@H]2C1	2257304417	RCFAYXGBKMVYNP-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2CCCC[C@H]2F)c1	2257956981	OMCGJODUCGOFLE-CABCVRRESA-N	249.373	4.677	0	10	BJAE	
F[C@@H]1CCC[C@H]1Nc1cccc(C2CCCC2)c1	2260716405	NUHSUJZFWFLHGE-HZPDHXFCSA-N	247.357	4.647	0	10	BJAE	
CC(C)(C)CC1CC(CN[C@@]2(C)C=CCCC2)C1	2261201533	NDRDZEJBHIHZPS-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2298722966	WJHZFVNVKOSNED-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CCC1)C1(CN)CCCCCCC1	2298845809	WDRPAYOWVAVBGI-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CC(C)CCCCCN1CCCCCC1(C)C	2298882255	QZNPOBLLVLGPMH-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H](N)CCC1CCCCC1	2298920952	QMYUSSBKDRAVDU-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@](C)(CC)C(F)F	2299921654	GLWFHYMWYYUFLG-OCCSQVGLSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CCCCCC1CC1	2300505239	KMNYTEMXBXHRTK-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@@H](N)C[C@@H](C)CC(C)(C)C	2300683680	MFIROMAXCYUOCW-UKRRQHHQSA-N	241.463	4.993	0	10	BJAE	
CCC(CC)CCC[C@](C)(O)c1ccccc1	2300697194	LVWZCBRBRDRPMX-INIZCTEOSA-N	234.383	4.501	0	10	BJAE	
CCC(C)=CCC(=O)[C@]1(C)CC[C@H](C)C1(C)C	2300874977	QEXYPKOUWZTNAF-BBRMVZONSA-N	236.399	4.764	0	10	BJAE	
CC1(C)CC[C@@H](N)[C@@H](CC2CCCCCC2)C1	2301140993	UMHWQEXEFGCJCF-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CC1CCCCCC1	2301145760	RWMGSACCCOZPBL-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@H](C)[C@@H](C)C(C)C	2301838789	FYBIQAXHDQKILS-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@@H](C)[C@](C)(O)CC1(C(C)(C)C)CCC1	2301919610	QUOZRBWLTJFSOJ-UKRRQHHQSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCCC[C@H]2C[C@@H]21	2302837159	SPGUADFWVVMUJB-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCCN(C[C@@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303492266	LADSYRXSISZWRC-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@](CC)(CC[C@@H]1C[C@H]1CC)CNC	2303575622	MNLLDGKZTGYDRR-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)[C@H](C)NC[C@H]1CCC(C)=C(C)C1	2303598050	XVBLMUHGJXWZQQ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C)CCCC[C@H]1CCC(C)(C)C1	2304417141	AAXIDDUSBYZHOG-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)CCN(C)CC[C@H]1CCC(C)(C)C1	2304434654	KMPPSATUAOXOIH-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)CCC)c1ccco1	2307899453	BSSHRVGOIUNVCI-KGLIPLIRSA-N	237.387	4.537	0	10	BJAE	
CC1([C@@H](N)[C@H]2CC[C@@H]3C[C@@H]3C2)CCCCCCC1	2309540224	OJPRDZJLEHMPJQ-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	2310426562	FZSXNCMUHASRIE-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H](C[C@@]23CCC[C@@H]2C3)Nc2ccccc21	2310882294	JJCHMQZJFIHDJU-CFAJVAMVSA-N	241.378	4.555	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@H]2[C@H]3CCCCC[C@H]32)CC1	2311021097	KEPYWVJROLVODS-KATPRTFMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H]1C[C@H]1C1CCCCC1	2311537817	MAWSQFIUIWFMNV-RRQGHBQHSA-N	249.442	4.514	0	10	BJAE	
O=C1CCCC[C@H]1C[C@@H]1C[C@H]1C1CCCCCC1	2311609059	JTGLLKXQOZPMOC-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H]1C[C@@H]1C1CCCCC1	2316511443	SPBHJJYCQPQFIA-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C12CCC(CC1)CC2	2317011793	BFZXZNRPLNTTTO-WIHSUSGWSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H](C)[C@H](C)C(C)C)c1	2317907170	OCVQRMYOFYBOEJ-UKRRQHHQSA-N	246.394	4.723	0	10	BJAE	
Cc1cc(C)cc(NCCCC2=CCCCC2)c1	2318568674	LMQJQOVHHCTTHQ-UHFFFAOYSA-N	243.394	4.996	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(N)CCCC3(CC3)C2)CC1	2320339303	CPBBIDOHLODPTC-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H]1C[C@H](C)Nc2ccccc21	2320381368	RRWADEYCQGRDNX-YJNKXOJESA-N	243.394	4.801	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CCCCCC2(C)C)CC1	2320399139	QUNCHNMZLBUIAQ-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@@]23CCCC[C@H]2CC3)CC1	2320402734	VRMQFHMETPIAIS-ULQDDVLXSA-N	247.426	4.565	0	10	BJAE	
Cc1cccc(C)c1OCC[C@H]1CCC(C)(C)C1	2321611930	VSCVBDDEIWACLE-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@]2(C)CC=CCC2)C1	2321639562	LYIHOWZKXPEDBP-WMLDXEAASA-N	248.410	4.908	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@H]2CCC2(C)C)c1	2327673211	MZNHBHURAVOASC-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CCC2(C)C)c1F	2327782744	UNLCLNLIFNQRRO-GFCCVEGCSA-N	249.373	4.797	0	10	BJAE	
CCC[C@H](CC)CN(C)C[C@H](C)c1ccccc1	2328082377	BLSZRBMINCKYII-HOTGVXAUSA-N	247.426	4.548	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CC)c1ccc(C)cc1	2328193061	IYXWHZUCEITCLK-DOTOQJQBSA-N	247.426	4.775	0	10	BJAE	
CCC[C@H](CC)CN(CC)Cc1ccc(C)cc1	2328280596	BCWJGNCUBPXXPC-INIZCTEOSA-N	247.426	4.643	0	10	BJAE	
CSc1ccc(N[C@@H](C)CCC(C)C)cc1	21814270	YHWOOHPTWCOFRT-LBPRGKRZSA-N	237.412	4.645	0	10	BJAE	
CCC[C@H](C)N[C@@H](CC(C)(C)C)c1ccccc1	37128552	HJJDMZPMBZUAQF-HOCLYGCPSA-N	247.426	4.942	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc3c(c2)CCC3)C1	71105476	SFCHFJVRZBDXRM-XJKSGUPXSA-N	243.394	4.556	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(F)c(C)c2)C1	71121703	DAWGGSXSRQCAEZ-OLZOCXBDSA-N	235.346	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)[C@H](Nc2cccc(Cl)c2)C1	82857295	DIMKRGBNZWKYGN-MISXGVKJSA-N	237.774	4.577	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC[C@H](C)C[C@@H]1C	85098723	IPACVZQWQKRCIA-NOLJZWGESA-N	245.410	4.794	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC2CCCCC2)CC1	86921984	ISIAKUDOBWVKDP-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](O)(C2CCCC2)CC1	86961379	LJHJRGJVYFDFLC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](C)n1c(=S)[nH]c2ccccc21	88299223	BPBRPJAOINLWJW-QWRGUYRKSA-N	248.395	4.696	0	10	BJAE	
CCCN[C@H](C(C)C)[C@H]1CCCC(C)(C)CC1	92599645	TZRGULNZRQKCGD-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](CNC(C)(C)C)c1cccc(C)c1	93190252	QJKORMBXQRAXLJ-GDBMZVCRSA-N	247.426	4.513	0	10	BJAE	
Cc1cc2nc(C3CCCCCC3)[nH]c2cc1C	109652993	HIXQWYVCJHUYNT-UHFFFAOYSA-N	242.366	4.618	0	10	BJAE	
CC[C@H](Nc1cccc(OCC(C)C)c1)C(C)C	109905380	VVVHYCLIECPOAJ-INIZCTEOSA-N	249.398	4.568	0	10	BJAE	
C[C@@H](NC1CC(C)(C)CC(C)(C)C1)c1ccco1	124751217	FNLFHTJVGLEOHE-GFCCVEGCSA-N	249.398	4.535	0	10	BJAE	
CCCCC[C@H](NCC)[C@H](CC)CCCC	125367726	LZEBNSOKLCWTHB-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)c1cc2ccccc2o1	128220944	YGDLUJUGSXZRHS-BLLLJJGKSA-N	245.366	4.520	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)Nc2ccccc2C)c1	132429030	CIALAOJFQCHAQD-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CCCNCCC(C)(C)C1CCC(CC)CC1	133915763	ZFUOHWXECBGYNU-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@H]1CCCCC[C@H]1CCCC(C)C	166353501	UWCVKOQJELPEMY-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCCCc1ccc(C(=O)C[C@@H](C)CC)cc1	167178253	XPGPZOWJRSAZII-ZDUSSCGKSA-N	232.367	4.648	0	10	BJAE	
CC(C)NCC1(CC2CCCCC2)CCCC1	203433149	DKUIEZHURDWADS-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](C)c1cc(C)cc(C)c1	212594127	MDEKFRDYYIFQFR-DOTOQJQBSA-N	247.426	4.575	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](C[C@H](C)CCC)C1	216359618	OQGPVVIIXWZTLM-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC[C@@H](C)[C@H]2C)c(C)c1	227028800	IXZZUEGOKWNTTC-DAXOMENPSA-N	245.410	4.848	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC[C@@H](O)C1	227232670	ANSUJYVMNXLDFB-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H]1CNc2ccc(F)cc21	232782864	FLRCOLYENKLQSE-KGLIPLIRSA-N	247.357	4.551	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H]1CCC[C@@H](CC)C1	233550822	ZKBWGDALQHXAPV-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC/C=C/C[C@H](CC)c1ccc(C)s1	238222372	RWMWIHGYZQFOCE-SYTKJHMZSA-N	208.370	4.906	0	10	BJAE	
Cc1cc([C@H](C)N[C@@H]2CCCCC[C@H]2C)c(C)o1	251074568	KQLQQNUTWVAWRK-PVXIVEMSSA-N	249.398	4.516	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)C[C@H](C)CC[C@H]1C(C)C	251396332	ZAOFFYKSFPRUCG-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C[C@H](C)C(C)(C)C	253052053	VUTCABBJAYNROK-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
N#Cc1cc2ccccc2c2cc(Cl)ccc12	260130400	OIPJXLOAZRYTIF-UHFFFAOYSA-N	237.689	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2CC(C)=C[C@H](C)C2)C1	300079164	QUZIWJVUPLEWHP-ORQFMDKSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)CC(C)(C)C	300934979	VKMGBYXHCGVEBA-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N)[C@H](CCCC(C)(C)C)C1	305919121	LKGVOHIKORWRGM-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CSc1ccc(S)c2cc(Cl)sc12	306915970	WNJZVDUVHQNALG-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC(C)(CN[C@@H]1CCCCC1(C)C)C1=CCCC1	308760159	WFBAOTJYRKEIGB-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C1(CC)CC1	310343154	DNWVEHSUCABQEB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)CC1(C)CCC1	310553206	XEOKSWSTLTUJDH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c([C@H](O)CCCC(C)(C)C)cc1C	310574200	GCWLSISSXBNVJZ-MRXNPFEDSA-N	248.410	4.862	0	10	BJAE	
CC1CCC(CCC[C@H](O)c2ccccc2)CC1	310800285	XBERUEXULDMNCU-DQPZFDDXSA-N	246.394	4.717	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CNC)CC=CCC1	317585100	NUCCVUUAAMLRPN-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC(C)(C)C)([C@H](C)CC)C1	318092477	XQNXTWONZHJWMF-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)Cc1ccc2c(c1)CC[C@H](C)N2	319654082	PJTZNSTUBFHGES-MJBXVCDLSA-N	245.410	4.658	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)c1ccccc1C(C)(C)C	319858455	QTZCFMSKZQXQRB-HEHGZKQESA-N	247.426	4.666	0	10	BJAE	
CC(C)CCCCNCC/C=C\c1ccccc1	323834664	MKUVBNLEWLRBIL-QPEQYQDCSA-N	245.410	4.506	0	10	BJAE	
CCCC1([C@@H](N)CC2CCC(C)(C)CC2)CC1	379901853	HULRZPLWKOFSCB-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCNCC/C=C(/C)CC1CCC(C)(C)CC1	379960021	KPCISVPAOILXOI-AUWJEWJLSA-N	237.431	4.539	0	10	BJAE	
CC1(C[C@H](N)c2ccccc2C(C)(C)C)CCC1	381374850	QQXZDXROXXDIBB-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
Cc1cc([C@H](C)NCCCCC(C)C)cs1	381536179	BWSIOZAFDQPTPE-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H](C)C(C)(C)C	383256147	WZZXKXXYQWLVPG-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@@H]2CCCC2(C)C)C1	383426970	BAXIMRHIPZGXPC-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@H](CC1CCC(C)(C)CC1)NC	383877675	IYWSFPZQQIZPIX-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCCC[C@H]1C	384766363	BEXGKUKYZIDMLF-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
C/C=C\CCN[C@H](CCCC)c1ccc(F)cc1	384810844	UEKQJFQGSAJYHR-OICCZTGUSA-N	249.373	4.613	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCCC[C@H]1C	384977919	JEFZCSGPUDDRGD-QLFBSQMISA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@H](C)c1ccccc1	385198100	QMPOXSABCJBZSX-ZOBUZTSGSA-N	247.426	4.724	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCCC12CCCC2	392787253	JUAPYNWCENBZIL-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](NCC1(C)CCCCCC1)C1CCC1	394601649	DFUIAVMBKOTBEQ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@]2(C)CCC(C)(C)C[C@H]2[C@H]1C	394833118	PEBJZQBEEWPOET-PWNZVWSESA-N	208.389	4.885	0	10	BJAE	
CCCc1ccc(N[C@H](C)CC(C)(C)C)cc1	395064306	WEMSYJFVTFDBDQ-CYBMUJFWSA-N	233.399	4.876	0	10	BJAE	
CCc1cc2cc(C(F)F)c(F)cc2s1	396198672	NWXZOIMAUSXUMG-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
COc1c(Cl)cc(C(F)F)c2sccc12	396287477	DMBSHAIEWKFJLZ-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1ccc(C)c2c(C(F)(F)F)csc12	396297911	FWBJWQCLSLNGDT-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1cccc2c(C(F)(F)F)c(S)sc12	396308159	QZXJIQBZEJEBEY-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCCc1ccc(N[C@@H](C)[C@H]2CC2(C)C)cc1	397604499	GXUBJXVTCMAPEF-XJKSGUPXSA-N	245.410	4.876	0	10	BJAE	
CC(C)(C)CCCC(=O)CC(C)(C)C1CC1	405805150	YDHXCHQXCNBDJJ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC1([C@@H](O)CCCCCC(C)C)CCC1	686921438	JSMNAZZHBAQBSM-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCCC1([C@H](O)CC2CCC(C)CC2)CCC1	686921582	HWQLNCOYMZICNQ-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1cccc(C(C)C)c1	688900605	QHRDBKYJLIFHFX-CJNGLKHVSA-N	233.399	4.507	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cccc(C(C)C)c1	688967170	JMQGQGXMLVHPCV-HNNXBMFYSA-N	233.399	4.636	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@H]2CCCC2(C)C)c1	688971699	SFCALUGHBLBHEH-HOTGVXAUSA-N	246.394	4.670	0	10	BJAE	
C[C@](O)(CC1CCCC1)C1=CCCCCCC1	689751372	CQYWLVRVWDXFKO-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCc1cccc(C)c1NC1CCC2(CC1)CC2	695965952	ZEORTVURNCCDQB-UHFFFAOYSA-N	243.394	4.692	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCC[C@@H]1C1CC1	696050460	ORSALSHMTDHRGV-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H](C)C(C)(C)C	697815969	LMKDZPHTESAIMR-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@@]1(C)CC[C@H](C)C1(C)C	701108559	AWCNHXUWGHZKSX-HEHGZKQESA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)[C@@H]1CCC[C@H]1CNC(C)(C)C	701144275	HFXRMFZTOIFALS-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)C(C)(CC)CC	701347317	MHVBFPVYZUWICZ-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
CCCN[C@@H]1[C@H]2CCCC[C@H]2C12CCCCCC2	701901234	JKKFMSUPIJYCDI-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1C[C@H]1C(C)(C)C	704171471	UVWGNSPLEVFNBM-XQLPTFJDSA-N	239.447	4.602	0	10	BJAE	
CCCNCC(CC)(CC)[C@@H]1CCCC[C@H]1C	704845290	PMTSMWFTPCBQRW-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC1(N)CCC2(CC1)CC2)C1CCCCC1	704956855	GPDQZAOUXXXXHW-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CCC1CCCCC1	709267331	XWFAZDYIEMBEJG-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
C[C@@H](CC(=O)c1csc(Cl)c1)C(C)(C)C	711214103	AIHWLCHDJFNYFG-QMMMGPOBSA-N	244.787	4.657	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)C1CCCCCCC1	713144900	DFGPXGKGPBQSMT-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC(C(=O)CC[C@H]2C[C@H]2C2CC2)CC1	714808379	ZMYBMOLNDROSEN-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C2CC3(CCC3)C2)Nc2ccccc21	717543362	PAEUJQXSYCNQNK-LRDDRELGSA-N	241.378	4.555	0	10	BJAE	
CC(C)=C(C)CC[C@H]1C[C@@H]1c1ccccc1	718778165	RNGYJDBZXHBGSE-JKSUJKDBSA-N	214.352	4.927	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CCC[C@H]1C	720990146	OJCAYSYBGCJYBS-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CC[C@H]2CCCC[C@@H]2C1	723648554	VNAZDMLVHIEAQZ-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CC[C@]1(C)CCCN(C[C@@H](C)CC(C)(C)C)C1	1641870090	IXVSZECVHPZWHC-GOEBONIOSA-N	239.447	4.571	0	10	BJAE	
C1=C[C@H](N2CCCC3(CCCCC3)CC2)CCC1	1653302431	SSDGZHAYLRNRLA-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CC(C)CCCCCC(=O)CC[C@@H]1C[C@H]1C	1897169263	RFOMFEBTHPXMGE-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)CCC[C@H](O)CCCCC1CC1	1902165739	OIQYNFQZIHTVOW-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1(CC)CCCC1	1905442242	COEQEXWABDQGFA-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CC=CCC1(CNCCC)CCC(CC)CC1	1911934183	QNKNTFWUKPOTSF-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCC=CCNc1ccc(Cl)c(Cl)c1	1914666785	MNWYHSHBKIKYSJ-UHFFFAOYSA-N	244.165	4.762	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC[C@H](C)CC1=O	1916059430	RWHQMPHQIJQJGK-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CC[C@@H]3C[C@@H]3C2)cc1	1917349087	GJGHUTLQJRFWDK-IOASZLSFSA-N	243.394	4.585	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CCCC(C)(C)C	1919950622	YJOIALVGRNOYMB-HIFRSBDPSA-N	228.420	4.780	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@@H]1CC[C@@H](C)[C@@H](C)C1	1919960456	OLKQAPBKPDCCBN-ZVDSWSACSA-N	240.431	4.636	0	10	BJAE	
CC[C@](N)(CCCC1CCC1)c1ccc(C)cc1	1920486530	KQMBUTOBFHPFSR-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CCC1CC(CNC2CCC3(CCCC3)CC2)C1	1921247268	ROWQCGAHICFCHF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC([C@H](NC)C2=CCCCCCC2)C1	1921263153	AMSVTKVFSITSCB-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H]1CCCC12CCC2	1921608978	ARZNMTWPFRRAPS-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC1(CNC2C[C@H]3CCC[C@H](C2)C3)CCCCC1	1923481284	YFHWYPSCSCEAAX-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)CC1CCC=CCC1)C1CCCC1	1924134714	FFKIZJGGPRASDP-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CC(C)C1CCC(N)(C[C@@H]2C=CCCCC2)CC1	1925942474	JMJBYZROTBPPOV-KLAILNCOSA-N	249.442	4.667	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@H](CC)C(C)C	1936212564	OIAHSBLYTODJMN-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C(C)(C)C1CC1	1941125941	CMKFXEMYWMXJEF-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NCC)[C@@H](C)[C@H](C)CC	1941268570	HLCKUUJPCGGWRV-QKPAOTATSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](NCC(C)(CC)CC)[C@@H]1CC1(C)C	1941360763	SDJODEMZULXIOZ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(OCCCCCC2CC2)cc1C	1941592109	QZCYCWIPOMMSJH-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CC1CCC=CCC1	1941796475	FMHCPEVVZGNEDE-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
CN[C@@H]([C@@H](C)CCC(C)C)C1(C)CCCCC1	1942664174	WOFMBSHNDZJIHA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@]1(CNC(C)C)CCCC1(C)C	1944475736	OUNHACNPFKXQPI-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C(C)(C)CC)C(C)(C)C1CCCC1	1944643934	AQISBOFNUODMLG-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCC(C)(C)C1	1945581902	IWMUUCMBTKGIOE-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@H]2CC[C@H]1C2	1947115469	AUESLGJGSNRLNX-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](CC)(CNCC)C1CC(C)(C)C1	1948146708	NMFXCPMQQQZHHR-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)NCCCC1CCCC1	1948327395	PAJWRVSAFQBETM-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@](N)(CC)CC1CCCCC1	1949008345	ZLJPVZAHFRXPFL-MRXNPFEDSA-N	235.415	4.587	0	10	BJAE	
CC1(C)CC[C@H]([C@](C)(O)CC2CCCCC2)C1	1949421316	LTCVIHDNRIVSJT-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C(=O)[C@@H]1CCC2(CCCC2)C1)C(C)(C)C	1949498248	VGWCIWXNHWSVPY-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C1=C[C@H](CC2[C@H]3CCCCC[C@H]23)CCC1	1960870897	AOYVWHVXKOTLMM-IHRRRGAJSA-N	204.357	4.559	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC1CCC2(CCC2)CC1	1967794351	WGWWNJKBYRPSBU-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2CCCC3(CC3)C2)c1	1968230277	ONWVOGURJUPHTD-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
CCC[C@@H](C)N[C@H]1CCCC2(CCCCC2)C1	1968900793	WWEZZEJYLPQALB-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
F[C@H]1CC[C@H](CNc2ccc(C3CCC3)cc2)C1	1969958169	BSYZUZNWWDLBLY-WFASDCNBSA-N	247.357	4.504	0	10	BJAE	
CCC/C=C/CNc1cccc(SCC)c1	1975485308	OXMCQSVZLFBCMD-VOTSOKGWSA-N	235.396	4.567	0	10	BJAE	
CCCC[C@](C)(CC=C(C)C)CNC(C)C	1978638372	LGBUVTVFMMDVPE-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)C1(C)CCC1	1981354403	RFKRBTWPZWTCEL-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
C/C=C/CCCCc1c(C)cc(C)cc1C	1984608108	SGNPXNFTRQMYHE-AATRIKPKSA-N	216.368	4.901	0	10	BJAE	
CC(C)[C@H](C)Cn1ccc2ccc(Cl)cc21	1988295375	LYTFAJJNNUMJDS-LLVKDONJSA-N	235.758	4.587	0	10	BJAE	
CCCC[C@H](CC1(CCC)CCC1)NCC	1988462353	TXSORPHCQMMPAS-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](O)CC[C@H]1CC[C@H](CC)CC1	1989807736	MQGZZNAKWRKEGU-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCC1CCC(CC[C@@H](O)CCC)CC1	1989809963	MWWUNGJJIANYBM-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1CCC[C@H](C)C1	1990092053	UVBWWMDWIBHUDM-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H](C)CCC(C)C	1990092303	XRFCADZDJWCBSY-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc(Cl)c(C)c1	1993193828	OFLMYADXDLQCHS-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC[C@H]1CC[C@H](c2nc(CC(C)C)cs2)C1	1995443879	DXCDPPYCWXJAHJ-RYUDHWBXSA-N	237.412	4.635	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@]2(C)CCCC[C@@H]2C)C1	1995645687	TWYLLXOBUABTTI-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CCCC(C)C)CC1	1997109794	RQKSFDDIUVUZGV-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CCCC(C)C)CC1	1997109795	RQKSFDDIUVUZGV-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2C=CCCCC2)CCC1	2000191883	JYVOQOQMGPTQCT-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCCC(=O)CC[C@H]1CCCC1(F)F	2000194725	HDPOZHAPTMQYDG-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@@H]1C=CCCC1)NC	2000323781	ZFMOGVKDXJPVON-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CC12CCCCC2	2001271967	BKMIETHPMHALGP-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](O)(C1CC(C(C)(C)C)C1)C(C)(C)C	2002308399	NMAWCRODXIVCHV-ZUEPYMLJSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@@](C)(N)C1CCC(C(C)C)CC1	2002926836	WBNZTEDAEHNBLV-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC1CCC=CCC1	2003117136	MQFOSAMFDULNCY-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CCCC(CCC)CNC1(CCC)CCCC1	2004718900	NTWAYEWTZXGLJT-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CC[C@H](C)CCNCC1(C)CCCCCCC1	2004942147	PNLDDJJZLFKOAI-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@H](CC)CC1(O)CCC(C)(F)CC1	2005936121	AIVLACPDRXELLK-NFOMZHRRSA-N	244.394	4.626	0	10	BJAE	
C[C@H]1CCC[C@@H]1C1(O)CCCCCCCCC1	2006765495	LRSFKZIFWITESZ-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)=C(C)[C@@H]1O	2006913759	QTAPMANBCIEYPB-XHSDSOJGSA-N	238.415	4.700	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H]1CCC(C)(C)CCC1=O	2009403392	BOBQDPRMSNFXTG-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@@]1(CNCC)CC[C@H](CC)C1	2009616007	FAZKOBFPUGIOND-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)C[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2010712439	IZTQVAPRTLHVLX-KBPBESRZSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](NCCC)C1=CCC(C)(C)CC1	2010713801	FUWSZXPOJLAZSF-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1C[C@H]1CCCn1ccc2ccc(Cl)cc21	2011565330	KLOWHQVRHSRHBW-WCQYABFASA-N	247.769	4.731	0	10	BJAE	
CCCN[C@H]1C[C@H](CC(C)(C)C)CC(C)(C)C1	2012041109	HZXXVZNCXBCKBN-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCN[C@H]1C(C)(C)C	2014549186	KCNMJBMLADBRLI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)C(C)(C)C1CCCCC1	2015272949	RNAKGNXIPGYBGE-UKRRQHHQSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(CC[C@@H](N)C1(C)CCCC1)C(C)C	2015355785	BUOOXGKVYHCBKN-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CCC1CCCCC1	2016114492	HOHMGYQBNYBANJ-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC(C)(C)C1(C[C@](C)(O)CCC2CC2)CCC1	2017121802	SXYNLQRPNBFHKB-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H]1CCCC[C@@H]1CC	2017472544	LHOZUAVWFCNXCY-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)(C)C)C(C)=C(C)C	2017485542	FVCZIGLCIGJYCN-UKRRQHHQSA-N	239.447	4.783	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCCC[C@H](O)C2)CC1	2017714104	DKAWWOZUAMXGEU-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CNC(C)C)C[C@H]1CC[C@H](CC)CC1	2017721737	CCASKKWTTWFRGZ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](C[C@H]2CC[C@H](C)CC2)CC1	2017776480	PJPRDVPKCWNORJ-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2018131396	SMMBKMFWKJHBEC-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)C(C)(CC)CC	2018991765	XMHHWZDMYXMGKN-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@H](CC)C1CCC1	2019188539	FGBKLMHHEGTZLS-GDBMZVCRSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H](C)C1CCCCC1	2022552838	AVDBTTFQFDPGMY-BPLDGKMQSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC1CC(C)(C)CC(C)(C)C1)NC	2024092920	WFHSWDFLGRCQEO-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CC(C)(C)C1(C)C	2025011533	RRUMGUYCJURXFA-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C1CC(C2CC2)C1	2026065031	YMENGADBZVNEGB-GRTSSRMGSA-N	236.399	4.598	0	10	BJAE	
Cc1occc1-c1nc(C2CCCCC2)cs1	2026595250	ABFULDYOLKFVAZ-UHFFFAOYSA-N	247.363	4.759	0	10	BJAE	
CCc1ccccc1N[C@@H](C)C(C(C)C)C(C)C	2027110725	YMQZAZRABISSAC-AWEZNQCLSA-N	247.426	4.978	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NC)c1cccc(C)c1C	2028252481	OLBJFPXKPSJVJK-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CCN[C@H](c1cccc(C2CC2)c1)[C@H](C)C(C)C	2028551104	CBCGXDOYUCAJDP-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1ccccc1CC(C)C	2028931088	RMXWMZKOVUCVJG-GRDNDAEWSA-N	248.410	4.601	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)C1(C)CC(C)C1	2029103319	ATQWIQAELFHDEP-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)C(C)(C)C(C)C)cc1	2032270831	DCKXNATYSBWEEE-XJKSGUPXSA-N	248.410	4.916	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H]1C)c1ccccc1	2032515922	VUVSXEMDPRRPTM-BHYGNILZSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2[C@@H]3CCCC[C@@H]23)CC1	2032814453	BJLJPWCNUKMKSD-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@@H]2[C@H]3CCC[C@H]32)CC1	2032822399	JUMYDCHGJDYGOF-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
Cc1coc(C)c1[C@@H](N)C[C@H](C)C1CCCCC1	2035534272	PTWDZTZWSBXQIG-NHYWBVRUSA-N	249.398	4.503	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)C[C@H]2C=CCCC2)C(=O)C1	2035569104	ZZYHZVVKJBIKTK-ILXRZTDVSA-N	248.410	4.764	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@@H]1CC12CCCC2	2036099605	ZFEUPUAVWPCVQI-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC=C(C)C)c1cccc(C2CC2)c1	2036355448	LMURFLZASQUNIK-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC(C)=C(C)CCN1CC[C@H]2CCCCC[C@@H]2C1	2036503580	UOEBSRJEXVFSPU-IAGOWNOFSA-N	249.442	4.635	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1	2036668753	VPZKTSBSDOHEGK-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
N[C@H](C1CCCCCC1)[C@H]1CCC2(CCCC2)C1	2037592255	MBEGUEFLTHHCFW-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCC1(C(=O)[C@@H]2CCC3(CCCC3)C2)CCCC1	2037671494	FHVKWFZIFQCAJW-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CC1CC2(CCC2)C1	2038085286	JXHJOVQSXQQVIB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H](C)[C@H](C)CC)c1ccccc1	2038130377	FQOLJSYAOHMYDP-BFYDXBDKSA-N	247.426	4.800	0	10	BJAE	
CC1(CNC2C[C@H]3CCC[C@@H]3C2)CCCCCC1	2038548399	HJYOHILELNOEDX-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NC2C[C@@H]3CCC[C@H]3C2)cc1	2038623046	QTMSDCGRPJXPQJ-GJZGRUSLSA-N	243.394	4.801	0	10	BJAE	
CC[C@H]1CCC[C@H]1NC1CC2(CCC(C)CC2)C1	2038941658	VNEAOMOREJNMID-ZISAHBJPSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)Cc1ccc(C)cc1	2041821780	XGRXJVAXJFGMMT-KRWDZBQOSA-N	248.410	4.505	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1CC1(C)C)C1(C)CC=CC1	2042021056	DEZRQMMKLQIUFN-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@]1(C[C@@H]2CCC=CCCC2)CCCN1	2045324160	SHWYNWPXWIKJAM-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCC=CCCC2)C[C@@H]1N	2045325184	BZEAQPOYJYLOPV-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C23CCC(CC2)CC3)C1	2045502653	VFXKDQKUMMAIKU-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@H]1CC12CCCC2	2047062151	LLGPUMWONFGDHK-HNNXBMFYSA-N	239.362	4.530	0	10	BJAE	
CC1(CCCN[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2047445283	HPWRGUKAFDCYPG-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@H]1C[C@@]12CCCCC21CCCCC1	2047561736	QMEJCBUCCRGRKS-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1[C@H]2CCCCC[C@H]21)C1CC1	2048364768	BNDCKVBXUGHNFV-FOLVSLTJSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CC2)[C@H]1CCCC(C)(C)C1	2049542403	DGEJIDXEVFASKF-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc([C@H](O)CC2=CCCCCCC2)c1	2050426359	OUQHGVAHYWOYPR-QGZVFWFLSA-N	244.378	4.699	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1ccc(C)cc1C	2051404623	CRYPQEIYBVSFST-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H]1CCCCC12CC2	2053359410	NHYVSJLUIMZILC-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
C[C@@H](N[C@@H]1C=CCCC1(C)C)C1(C)CCCCC1	2055529615	XRKKTJCGRMJLJE-HUUCEWRRSA-N	249.442	4.680	0	10	BJAE	
CN[C@H](CC1CCCC1)C1(C)CCC2(CC2)CC1	2056551663	GQIVQMAMASMWTF-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC([C@@H](C=C2CCCCC2)NCC)C1	2056873111	KNCNAZSXTCKZJJ-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(N)C=C1CCCCC1	2056918114	XQHJZKIJJBTJGX-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1ccccc1CC	2059257111	UYKPJVVNDPKFKQ-PFWMLDTASA-N	245.410	4.646	0	10	BJAE	
CC1CCC([C@@](C)(N)C2=CCC(C)(C)CC2)CC1	2061120900	AWIUFHUCNNNOCS-MQBCKMQZSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@]1(CNC(C)(C)C)CCCC[C@@H]1C	2061566167	JWZYVSKWURVXSJ-DOTOQJQBSA-N	249.442	4.692	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@]23CCC[C@@H]2C3)c1	2061607472	QWEKDUNANJRQLV-WBVHZDCISA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)CC[C@]12CCC[C@H]1C2	2061621174	DKGLPFPJWWWLOM-YQFWSFKMSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC2CC(=C3CC3)C2)CC1	2061691645	RPHWEXLGMVZNEY-DYVFJYSZSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CCC)NCC1CC(=C2CCC2)C1	2061723770	UTSKPLBYTFGIMM-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)c1cccc(C2CC2)c1	2062631921	USBKKCSWMYQPQD-OCCSQVGLSA-N	242.362	4.573	0	10	BJAE	
O=C1C[C@@H](CCC2CCCCC2)CC2(CCC2)C1	2063720350	HWAMEWVTMYRFTK-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCC[C@](N)(C1CCC1)C1CC2(C1)CC(C)(C)C2	2063803011	DEQNAYBGQOZTHW-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCC12CCCC1CCC2	2063902931	LWCUINKWMYJYLU-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1CC2(C1)CC21CCC1	2063993293	FARJLYNDYDBVDF-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(NCC2CC3(CC3)C2)cc1	2064072873	QEYUNSQFOSDPRF-CYBMUJFWSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NC1CC2(C1)CC21CCC1	2064110829	HPFTZPUCOYOLAZ-JFBXJRRNSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C)c1NCC12CCC(CC1)CC2	2065299418	BJSOXSRBQNSXHZ-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(C)c(O)c1C	2065990212	LJPWUXAAJSBYPT-AWEZNQCLSA-N	249.398	4.636	0	10	BJAE	
CC1(C)CC[C@]1(CNC1CC1)CC1CCCCC1	2068231534	YVMPXJUQXJXEJO-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NC[C@@]1([C@H]2C=CCCC2)CCC1(C)C	2068236951	RPWQAPZRHDSNKW-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068769846	OITIGYKUVFUQQK-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@H]2CC23CCC3)CC1	2069170411	GOWWBTJPYMLSDL-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCCCc1ccc(N[C@@H](C)C2CC=CC2)cc1	2070793996	GXURAAWYEKHUGX-AWEZNQCLSA-N	243.394	4.796	0	10	BJAE	
C[C@@H]1C[C@H](C[C@]23CCC[C@H]2C3)c2ccccc2N1	2070871811	YWGAPAOIGPRTAX-WVZRYYJFSA-N	241.378	4.555	0	10	BJAE	
Cc1ccccc1[C@H](N)CC1(C(C)(C)C)CCC1	2071941758	XFJVPWKDFZISHF-OAHLLOKOSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1C(C)=CCC[C@@H]1C	2072424260	JLSIXHGBERRONP-BHYGNILZSA-N	249.442	4.703	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](C)CC1)C1(C)CC=CC1	2072796542	PMELWRYBQRGMGD-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCC23CCCC3)CC1	2072804776	WDEISMICPIMXCZ-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CCC[C@@H]3C[C@@H]32)CC1	2072805923	HCOKKUNRERNHPX-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)CC2C[C@@H]3C[C@H]3C2)CC1	2072875526	PDCLFDXINSEROR-BCAXMMLOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2C=CCCC2)CC1	2072878345	NBBSQUMUHPBITO-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](C[C@@]12CCCC[C@H]1C2)C1(C)CCCC1	2074025536	OYZSMVPBXGDJSR-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N)(C[C@]23CCCC[C@@H]2C3)C1	2074035627	XXWONZMFKBBEBE-JCCCHCCOSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@H](N)C23CCC(CC2)C3(C)C)CC1	2074648621	KWCODUGXIJUANC-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2077197419	ZKYZZJIYZNNSNZ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CC[C@@H]2C2CCC2)c1	2077261722	CTOXXMQQPPHJNN-NVXWUHKLSA-N	241.378	4.555	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1C[C@@H]1C1CCCC1	2079433751	BQMYOCCODOUNIW-IXVCQNTISA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1CC1)C[C@@H]1C[C@H]1C1CCCCC1	2079850738	HCIHYDUOSNVNNO-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c(-c2cc(Cl)cs2)c1	2080279778	HFIIWYWWQHXHSL-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@H]2CC23CCCC3)C1	2082985017	FZPXGPHZRDTKDT-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCC(N)(CCC)CC1C2(CCC2)C12CCC2	2083540452	YVGBTPDJZOQCOH-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](CCC1C2(CC2)C12CC2)NCCC	2083577071	SJILHVYRCACPAT-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
FC(F)(F)C(F)(F)CCCC[C@H]1C=CCC1	2212617057	PPXGEFDSGGQOLY-VIFPVBQESA-N	242.231	4.711	0	10	BJAE	
CCCC[C@@H](CCC)NC1CC(CC2CC2)C1	2213386702	KKIJZXPWALPCHT-HWOWSKLDSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H]1C)C(C)(C)CCC	2216282870	MYEAKTFWJJRWFT-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C(CCCNCC1CCCC1)CCCC1CC1	2216882968	FHPIQQRPRDMRKH-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)[C@H]1CC12CCC2	2218721841	VZXBOLXBJXUCJN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCCC1CC1)c1ccccc1C1CC1	2220047216	QTGQCNNOXFNGDU-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
C[C@H]1CC[C@H]1CC1(N)CCC2(CCCCC2)CC1	2220672952	OJRLXXRRPRITGR-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CN(C[C@@]1(C)CC=CCC1)[C@H]1C=CCCCCC1	2221600320	JSWHECQTSVNZMZ-IRXDYDNUSA-N	247.426	4.554	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)c1c(C)cccc1C	2222004370	UTDFUBUTWGYUOE-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC2CCC2)CCC=CCCC1	2223556625	JVUDZAGVTRWJSX-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C(=C/c1ccccc1)\C[C@H]1CCc2ccccc2N1	2226216962	LKTITRFEEFVDMD-NADMHLTPSA-N	249.357	4.517	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@H]1CCCCC12CC2	2246617600	NCQHGSQFUDMAMO-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H]1CCC(C)(C)CC1=O	2247121059	OXKHANQDPDPLDC-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H](CC)CCC	2250363720	BADHMBXYKYPJPQ-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(CO)C1CC1	2250517602	DIPCSVBYNJXDHO-GDBMZVCRSA-N	240.431	4.638	0	10	BJAE	
CC[C@H](CN)[C@@H](F)CC[C@@H](C)CCCC(C)C	2250530428	UIZMGWQHUZVOMU-ZNMIVQPWSA-N	245.426	4.552	0	10	BJAE	
CCCC(O)(CCC)c1ccc2ccsc2c1	2253054217	REMUYQVMHIUORN-UHFFFAOYSA-N	248.391	4.689	0	10	BJAE	
CC1CC(C)(CC(=O)[C@H]2CCCCC23CCC3)C1	2253656126	VMQRAYUPKIXDJS-NPCAHTBFSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C[C@@H]1CCCCC12CC2	2253834029	VMQPAQUQNJJDKR-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCC1CC1)CC[C@@H]1CCCCC12CC2	2253876687	YJJLEACINVMEOS-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC[C@@](C)(NCC[C@H]1CCCCC12CC2)C1CC1	2253891479	PWWAQYMMDMCMEV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@](C)(N)C2CC3(CC3)C2)C1	2253994859	HLANACWKSQEWSZ-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)CC2CC3(CCCC3)C2)C1	2254106791	JVRWJDALSYGUTB-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1NC[C@H]1CCC12CCC2	2254969383	TWPYYXMDAYQGOT-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
c1cc(NC[C@@H]2CCC23CCC3)cc(C2CC2)c1	2254982741	XYOIDKMKIMWUAV-HNNXBMFYSA-N	241.378	4.556	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@@H]1CC1=CCCCC1	2255096341	KFUJOJBYLVURFF-SJORKVTESA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CCC[C@](CNC)(CC2=CCCCC2)C1	2255103214	NLTBXHFNSDEGHO-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CCc1cccc2ccn(CC3=CCCCC3)c12	2255131390	RSYWXBDBPOXVPA-UHFFFAOYSA-N	239.362	4.704	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC2=CCCCC2)CC1	2255143850	MXKHTQQWSGNVIT-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@@H]2CCCC23CC3)C1	2255231723	CJDVFSNISXXFOT-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCCN1CC[C@@H]1CCCC12CC2	2255251315	NYTBFAQKJAYEBQ-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCCC1([C@H](N)CC[C@@H]2CCCC23CC3)CCC1	2255285737	YOBACCQOYJAGFE-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC=CCCCc1ccc2cc(OC)ccc2c1	2256942844	NAIXLDBZORHIND-UHFFFAOYSA-N	240.346	4.747	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(CN)CCC12CCC2	2257281514	IIZYJXQUZYPSFS-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC23CCC3)cc(C)c1C	2258239933	RHCBBBGVHLCVQY-MRXNPFEDSA-N	243.394	4.747	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H]1CCNc2ccc(F)cc21	2261348365	LKDZICXZDLUMKX-FRRDWIJNSA-N	247.357	4.551	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](N[C@@H]2CC23CCCC3)C1	2261386518	OXWKPWLKDBQEMR-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CC1)[C@@H]1CCCCCCCCC1=O	2298933394	QMLMNGAAXOHZRQ-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CCC(=O)C[C@@H]1CCCC12CC2	2300674298	SADOBGIDYGJANU-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cc(F)ccc1C(F)F	2300826776	RAIMVQXKJAXXPT-BDAKNGLRSA-N	245.288	4.610	0	10	BJAE	
CCC(C)=CC[C@H]1CCC[C@H]1CNC(C)(C)C	2300902407	UJBFQUOCHYCVQT-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC1CCCCCC1	2301143935	YOEPSHPGRXGYSL-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC(C)=CCC(=O)c1cc(C2CC2)ccc1Cl	2301330332	LBPUTMAYFOAPQM-UHFFFAOYSA-N	248.753	4.756	0	10	BJAE	
CC(C)C(C(C)C)[C@H](C)N[C@@H](C)[C@@H](C)C(C)C	2301688569	LBLAUBDTRQGBPK-KKUMJFAQSA-N	241.463	4.573	0	10	BJAE	
CCCNCC(CC)(CC)[C@@H](C)[C@@H](C)C(C)C	2301839175	HABVFHSRRABYIG-GJZGRUSLSA-N	241.463	4.721	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)CCC(=O)c1ccccc1	2301906563	AUROXGUHBYXCHC-ZIAGYGMSSA-N	232.367	4.578	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@H]2CCC(C)(C)C2)CC1	2302692602	YIWMXJDFGXLBIV-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@@H]1CC[C@H]1C1CC1	2303055313	RBVKPXDUUPCORH-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@](CN)(C[C@@H](C)C(C)(C)C)CC1	2303477721	ZULLCCKZXIQLLX-ZBFHGGJFSA-N	237.431	4.524	0	10	BJAE	
CCCC(CCC)C(=O)[C@H](CC1CC1)C1CC1	2303781522	QJPVPZHFFZISMI-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1(C)CCCCCC1	2307830467	CGIBVFSQJUTUAF-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1	2309169665	KLWJUFBJDHNZBT-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H]3CC[C@H]23)CC1	2309518619	YDXSCOPEEPQOQS-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@@]23CCCC[C@@H]2C3)CC1	2311130703	WYAWNDBNQYGWBW-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312956095	RJSKQUBRZXAQEV-MXPGSBBYSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1C(=O)C[C@@]12CCCC[C@@H]1CC2	2313322961	REBAJMUSPCBVAJ-WVZRYYJFSA-N	248.410	4.598	0	10	BJAE	
CCCCC1CC(N[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316886986	UFHVOOMKKWJZQT-NSPSMMDPSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H](C)[C@H](C)C(C)C	2317898092	KHUPCPCZDJSDRN-ZIAGYGMSSA-N	246.394	4.750	0	10	BJAE	
CC(C)(CCNCCCC1=CCCCC1)C1CC1	2318583578	QKWCQVKQLSPNCT-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C[C@]1([C@H](O)CCCC2=CCCCC2)CC=CCC1	2318593929	ZRNBEIKJOTUMSP-SJORKVTESA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCC[C@H](CCCC2=CCCCC2)[C@@H]1N	2318594751	JBBFFBSDEQJMAF-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCC[C@@H]2C[C@@H]21)C1CCCCC1	2319236290	AUSZTOUVLSEUTP-ORQFMDKSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@]2(N)CCCC23CCCC3)C1	2319316537	CTWFTLCSAGIUKF-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@H](N)[C@]1(C)CC=CCC1	2320244190	QNZNANAHAPWGEP-QSJFSLAZSA-N	249.442	4.523	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC[C@@H]2C)CCC(C)=C(C)C1	2320267328	DNISSUYPJSNDAA-USXIJHARSA-N	249.442	4.539	0	10	BJAE	
CNC[C@]1(C[C@@H]2CC[C@H](C)C2)CCC(C)=C(C)C1	2320268186	NIIQGSNSVVHXJR-IAOVAPTHSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)[C@@]12CCCC[C@H]1CCC2	2320403859	REDDJYVDLUSVLT-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@H](C)C2CCC2)c1	2320568185	XPKXYQXPYIHVKC-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CNC[C@@]1(CC[C@H]2CCC(C)(C)C2)C=CCCC1	2321617415	VMRIKRGPTKCLRH-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC[C@H]2C2CC2)c1F	2327807365	GCQVIJUNYFFSKX-KBPBESRZSA-N	247.357	4.550	0	10	BJAE	
CCc1ccc(OC)c(C[C@@H]2C=CCCCC2)c1	2327816282	HFSWZDSZSIYAOI-OAHLLOKOSA-N	244.378	4.547	0	10	BJAE	
Cc1ccc(C)c(NCc2cccc(Cl)c2)c1	8410999	UGRPKGDMUJGISA-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CCC(CC)[C@H](N)c1ccc([C@@H](C)CC)cc1	21011549	JDZSFEIULDIBIX-LRDDRELGSA-N	233.399	4.636	0	10	BJAE	
CCCCCC1(N)CCC(C(C)(C)C)CC1	71084923	CPSHUZTUKVZDLR-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H]1CCC[C@H](CC)C1	71155685	PEZHPMWOXWIXDD-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)CCC(C)(C)CC1	79657281	GTHKBYBWVDWISU-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
Cc1ccc(Nc2ccc(Cl)cc2)cc1C	82715185	YVJPHCVTQKAUHO-UHFFFAOYSA-N	231.726	4.700	0	10	BJAE	
CCC[C@@H](C)C[C@]1(O)CCCC(C)(C)CC1	83520645	UJIJCFUCURWOLT-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2ccc(N)cc2F)cc1	88084782	NFPZRGHOBIAZCM-LLVKDONJSA-N	243.325	4.588	0	10	BJAE	
CC(=O)c1ccccc1C1=C(C)[C@H](C)C(C)=C1C	90375427	DTCWKIOCCPFBBP-SNVBAGLBSA-N	240.346	4.649	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CCCCC1(C)C	94323850	JPVORHNLCPOSGS-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](CC)C1CCCCC1	103985616	VYQSVIQDYAWTIR-ZBFHGGJFSA-N	239.447	4.904	0	10	BJAE	
CCC[C@H](CC)N[C@H](CC(C)C)c1ccccc1	109944818	WCSAYJQZXLHDSX-DLBZAZTESA-N	247.426	4.942	0	10	BJAE	
CC1CCC([C@H](O)CCC2CCCCC2)CC1	124293096	USOHGIAMQRFTQZ-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1ccc(C)c(C)c1	124553029	ITIZKKZSALQTQX-DOTOQJQBSA-N	247.426	4.910	0	10	BJAE	
CCCCCC[C@@H](NCC)C1(C)CCCC1	124902870	YIKFDURCQBWCRJ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](NC[C@H](C)C1CC1)c1ccccc1	124955014	UCVNMCJMRVADOP-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
CCCCCC(CCCCC)NC1CC=CC1	125010206	YUNMNBPIILNZPP-UHFFFAOYSA-N	237.431	4.824	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Oc1ccc2[nH]ccc2c1	126487536	MTIIIPFODFMKBO-MLGOLLRUSA-N	243.350	4.516	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC(C)(C)CC[C@@H]1N	131638149	RYMBDJKSZYGHGY-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(Cl)c(N[C@H](C)C(C)C)cc1Cl	132058594	PARVDZPTWYUBDQ-SECBINFHSA-N	246.181	4.758	0	10	BJAE	
CC[C@@H](C)c1csc(Cc2ccccc2C)n1	132267396	LIWCYFAYBHPRNN-LLVKDONJSA-N	245.391	4.556	0	10	BJAE	
Nc1cccc(CCCCCC2CCCCC2)c1	141855711	IWGYVDLFFLHMFO-UHFFFAOYSA-N	245.410	4.952	0	10	BJAE	
CC1(C)CCC[C@@]2(C)C1=CC[C@]1(C)OCCC[C@@H]12	142956594	IPUAJEKTYUPFEU-PVAVHDDUSA-N	248.410	4.718	0	10	BJAE	
CCCCCC(=O)C[C@H]1CCCc2ccccc21	164359811	AMBXPQIUINDEIM-OAHLLOKOSA-N	244.378	4.646	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	165101905	AVVAUBCKXJLKMF-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](CC)(CCCC(C)C)CNC	166078657	GIOCHSTXDLGMPA-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCC1CCC(C(=O)c2ccc(C)cc2F)CC1	166194882	WRCOWGGSBFTIBE-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCC(O)(CCC)C[C@H](C)c1ccccc1	197304225	ULJXLALBDKTTCC-AWEZNQCLSA-N	234.383	4.512	0	10	BJAE	
Cc1cc(Br)c(C(C)C)cc1Cl	199930106	HVLYASTUDHFSFY-UHFFFAOYSA-N	247.563	4.534	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC2CCCCC2)C1	203289481	WEVFSDMQRQCIEB-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H](CC2CCCCC2)C1	217693312	GVUHKBJRKUKHLA-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C(=O)C1CCCCCC1)c1ccccc1	229433448	XFXHNWUZOWCTPB-MRXNPFEDSA-N	244.378	4.720	0	10	BJAE	
CCC[C@H](CC)Nc1cccc2c1CCCC2	233345914	OKRRASFSFUWATA-AWEZNQCLSA-N	231.383	4.556	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C[C@H](C)CC(C)(C)C	253054137	XTMADIKJWKJMSZ-IHRRRGAJSA-N	227.436	4.602	0	10	BJAE	
CCSCc1csc2cc(Cl)ccc12	257917604	CSRLBCOBPZJWCG-UHFFFAOYSA-N	242.796	4.808	0	10	BJAE	
CC[C@@H](N[C@H]1/C=C/CCCCC1)c1ccccc1	302332924	DGNLHSHUZZUFEA-DKTLHIEFSA-N	243.394	4.616	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1cccc2ccccc12	302605731	XAZZIRLPBMGTLY-CYBMUJFWSA-N	240.346	4.705	0	10	BJAE	
CCc1c(SC)c(Cl)cc2sccc12	306908274	FIUFOBRQZWNJKQ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@H](CC)CC(C)C	308098864	QDGCVQBJDVSHIZ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)/C=C\B1CC(C)(C)C(C)(C)C1	308773821	SRCJOTOYECEPHH-HJWRWDBZSA-N	206.182	4.689	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1CCC[C@@H](C)C1)NC	310178603	VVIRHJCUJSKLDY-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C)c1NC[C@H]1CCC[C@H](C)C1	310215801	FUTYVLPQQWYLMY-WFASDCNBSA-N	231.383	4.542	0	10	BJAE	
CC(C)CCC(=O)C[C@@H](C)C1CCCCC1	310485584	MTOHMZRCNSFWON-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](NC)C2(CC)CC2)cc1	310617188	FKSPGNUNJWTHMD-CJNGLKHVSA-N	245.410	4.651	0	10	BJAE	
CC(C)Oc1ccc(NC[C@@H](C)C(C)(C)C)cc1	310637036	AEMLYFYZELKNNU-CYBMUJFWSA-N	249.398	4.568	0	10	BJAE	
Cc1cccc(OC[C@H](C)C2CCCCC2)c1C	310931930	CINLXOISNSZHNM-AWEZNQCLSA-N	246.394	4.899	0	10	BJAE	
CC[C@@H](C)C1(CNC(C)C)CCCCCCC1	317982738	VLPXHBYUVMQFPN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCC(O)(C(C)C)C(C)C	383116453	BAINQLGKRXVSAE-UHFFFAOYSA-N	228.420	4.636	0	10	BJAE	
CC[C@@](O)(CCCC(C)(C)C)Cc1ccccc1	384547657	IKXRQNCMKICUDC-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@@H]1C[C@@H]1CC(C)C	387815097	KYGWHMBGTAHOCL-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)[C@@H]1C[C@H]1CC	387835228	ZRZSWAUZPSIZOB-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](NCC(CC)(CC)CC)C1CCCC1	391225054	ZADQKHFFSJFLNT-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCCC[C@@H](O)C(C)(C)C	394743123	OAIFIBLTEUOFNF-CQSZACIVSA-N	228.420	4.780	0	10	BJAE	
CCc1cc(C(F)F)c2scc(CC)c2c1	396165625	FBAUZPIZOGNGSZ-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCC[C@](O)(CCCC(C)(C)C)[C@@H]1CC1(C)C	397592679	CMMBWUQKDIOZGW-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CCC1)C(C)(C)CC	398697567	IXOFEPVYYMZALV-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC1(CNC2CC2)CC=CC1	690535561	UKYWOVIEYNYEKI-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2CC3CCC2CC3)C1	691738995	BJDRXOGOGDLFEB-NDTCATRNSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@](C)(CC)CNCC(C)C	696688854	VBKOWOTXNIENQK-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCC(C)(C)CC[C@H](CN)C1CCCCCC1	696845996	YGKBPYKJMLDDAB-OAHLLOKOSA-N	239.447	4.748	0	10	BJAE	
CC(C)=CCCNc1ccccc1C(C)C	697770461	IRLGVEAQOWEJDD-UHFFFAOYSA-N	217.356	4.578	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CCC[C@@H]2C[C@H]21	697773277	CMXVVMQUEHATCI-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)c1cccc(C)c1	697774716	OARMOXASNITYJS-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CC(C)CCCCC[C@]1(CNC(C)C)C[C@H]1C	703336953	PVUHZBPJBBHHSW-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)C[C@H]1CCC[C@@H](C)C1	704613639	PLHNCPVFBRRJHU-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@@H]1CCCC[C@H]1C	704852167	RQDHEFFYVIBSAO-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1ccc2sccc2c1	704921465	AWZCOQZJTAQWLL-CQSZACIVSA-N	246.375	4.681	0	10	BJAE	
C[C@H](C[C@@H](O)[C@H](C)c1ccccc1)CC(C)(C)C	709071394	PLFLORUSLSXSGO-IIAWOOMASA-N	248.410	4.613	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)[C@]12CCCC[C@H]1C2	709097732	RVASJZXLXHFJTN-SLEUVZQESA-N	249.785	4.721	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(N)C1CCCCC1	709213590	NDNDSDMSOQFVTE-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CN[C@H]1CCCC2(CC2)C1)C1CCCCC1	709978253	JXDDTQUHKHCKFC-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)[C@H]1CCCCC1(C)C	713248498	FRSLOZUTOYZIIE-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CC[C@](CNC(C)C)(CC(C)(C)C)C1	713306674	KLGAVDOXRAPDGX-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCNc1ccc(Cl)c(Cl)c1	713717013	DVLYTLFUSRIBSV-ONEGZZNKSA-N	242.149	4.538	0	10	BJAE	
C=C/C=C/CCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NC	713733695	ZFSVSKQXQOMZPB-ZCZKIAQZSA-N	249.442	4.559	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCC[C@H]2CCCC[C@H]21	714288922	FMVKLDUEZVPCTH-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
C/C=C/C[C@@H](CC)c1ccc(OC)c(Cl)c1	714554219	YNNUPXCLAKPREO-DUMNWFOQSA-N	238.758	4.808	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C(C)(C)C(C)(C)C	718598529	AWAVYPPGCODBEV-AWEZNQCLSA-N	239.447	4.783	0	10	BJAE	
C[C@@H](C[C@]1(N)CCC=CCCC1)C1CCCCC1	718979350	NSHGCFUEDFKDHX-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1c(C)csc1C	724971476	NOGHRBLVQNGYKD-JSGCOSHPSA-N	240.412	4.615	0	10	BJAE	
Cc1ccc(-c2ccc(Cl)c(F)c2)c(C)c1	725270842	SSWUSTNRILYZFL-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
C=C/C=C\CCSCc1ccccc1Cl	1307329978	JUPXEDDESKUDQF-ARJAWSKDSA-N	238.783	4.706	0	10	BJAE	
CCC[C@H](C)CCNCc1ccccc1C(C)C	1474251935	IWYACJZCRQNORB-HNNXBMFYSA-N	247.426	4.726	0	10	BJAE	
CC(C)(C)CSCC1CCC(C)(C)CC1	1651980724	DUXXBNQETCPXOC-UHFFFAOYSA-N	228.445	4.982	0	10	BJAE	
CCCC[C@H](C)N(C)CCCCc1ccccc1	1658877678	OPBOEZZMXDIKCF-INIZCTEOSA-N	247.426	4.520	0	10	BJAE	
CCCC(CCC)C(=O)CCC[C@@H]1C[C@H]1C	1896068080	FOZWHYLECPKSJB-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H](CC)CC(C)C	1900700343	COTDLXSUKCHRBO-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H](C)[C@@H](C)C(C)C)c1	1901712262	XGRLVCTVIAXWLB-RYUDHWBXSA-N	239.790	4.741	0	10	BJAE	
CCC[C@H](CC)CC(=O)CCC1CC(C)C1	1905430854	FIXAJZLXWJFPCJ-MOKVOYLWSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(Cl)c2occ(C(C)C)c2c1	1907244563	RVJBMLYXIYIWAE-UHFFFAOYSA-N	208.688	4.518	0	10	BJAE	
C=CC=CCC[C@@H](CC(C)(C)CC)NCCC	1911902754	MXJGPOVTBHGFFB-HNNXBMFYSA-N	237.431	4.703	0	10	BJAE	
O=C(CCCC=Cc1ccccc1)C1CCCC1	1912002881	PADBSGSKFSDVTJ-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
CC(C)C[C@H](C(=O)CC[C@@H]1CC1(C)C)C(C)C	1921420274	UKVXDTWWTGHHTP-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
C1CCCC(CN[C@H]2CCCC23CCC3)CCC1	1921497736	NGGVNTFTLOSJDA-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@](N)(CC[C@H]1CC1(C)C)C1CCCC1	1921566120	YPWSLQUYPYFUDK-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C=CCCCC1)C(C)C	1925888438	GNNDAKGTPPIMHW-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCNc1cc(Cl)ccc1C	1926136744	YZUMNJHBAPYNDI-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1ccc(Cl)s1	1928722958	BWYKXGZWGINTOU-CABZTGNLSA-N	246.803	4.507	0	10	BJAE	
FC(F)c1cscc1C[C@H]1C=CCCC1	1932600230	AWVPDNIHPZGFFR-VIFPVBQESA-N	228.307	4.585	0	10	BJAE	
CCCC[C@H](CCCCCC1CC1)NCC	1936414979	HERUGQWJHAKQQB-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC1(C[C@@H](N)C2CCCCCC2)CCCCC1	1940407083	IECDMBDHUUKKJL-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC(C)c1ccccc1OCCCC1(C)CC1	1940863415	LZUJPHOGHDYNBG-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)C(CC)CC	1941588101	YOVXUJAOVLIHRV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C(=O)CC1C[C@H](C)C[C@@H](C)C1)C(C)(C)C	1944205876	WFCMGBCPEBFXGG-JHJVBQTASA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CCC(C)(C)C2CC2)C1	1945584733	GPHXJRSTZKBSRM-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC1C[C@@H](C)C[C@H](C)C1)NC	1948423672	TTZXCRROQLCDSW-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CCCCC[C@H]1C(C)C	1949018393	CLLPBDLCUFLUPP-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@@H]1CC=CCC1	1949037966	WTBLZNKSHJJLKG-OAHLLOKOSA-N	237.431	4.523	0	10	BJAE	
CCC[C@@](N)(C[C@H](C)C1CCC1)C1CCCC1	1949039569	DBMDWANRYHFBFF-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)([C@@H]1CCC2(CCCC2)C1)C(C)(C)C	1949401141	AQWOGXBCJYLJRP-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1CC2(CCC2)C1	1949841801	CLISXIWULLLTAJ-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCCC1CC(C)(C)C1	1949860038	QMIQXQXSWPPHDA-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCCC(C)C)CC1CCCC1	1949871422	WXMCLTACQGEQNC-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN2CCCCC23CCC3)C1	1966233458	YSZSLNTWASYSIO-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@@H]2CC[C@@H](F)C2)cc1	1968276309	ZFSKSXILGWLDCS-TZMCWYRMSA-N	249.373	4.534	0	10	BJAE	
CCC/C=C/CNc1ccc(C(C)C)cc1	1975489134	SOIKDHRURZVUDH-VOTSOKGWSA-N	217.356	4.578	0	10	BJAE	
CCCC(C)(C)[C@@H](CCC(C)=C(C)C)NC	1976003491	NCRALYYHLDEPPA-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)CNC1CCCCCCCC1	1980337895	YNMRUGRMQSIQRP-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCCC(C)(C)NC[C@@H](C)CC(C)(C)C	1987102309	QVDQMMTVLQNIFV-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](CCC)C1CC1	1990089652	LLDYGXIUAMBUIL-CABCVRRESA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@@H](CC)N(C)[C@H](C)CC(C)C	1990810741	YMQQAVFILLUXLQ-HUUCEWRRSA-N	227.436	4.712	0	10	BJAE	
Cc1ccc(Cl)c(O[C@H]2C=CCCCC2)c1	1990987594	OAXQETNYDDTCAB-LBPRGKRZSA-N	236.742	4.526	0	10	BJAE	
C/C=C/CCCC(=O)CC[C@H](C)CCCC	1995203910	MQLPTNTUERQALO-YVARQFDVSA-N	224.388	4.908	0	10	BJAE	
CCC[C@@H](C)[C@](N)(CC)C1CCC(C)(C)CC1	1996592961	DXTWUVCHHAFSKA-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@]1(C)CC=CCC1	1997546933	RKWAUNLHFCNCPI-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CCCC(C)C)CC1(C)CCCCC1	2000254359	NLNNIWKTYQUWET-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CCC1CC1)CNCC(C)C	2000512801	YURPZXBLWXAFHT-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)C1(N)CC2(CCCCCC2)C1	2000669889	KYTJBJRUVYSEBE-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1[C@H]2CCCCC[C@H]21	2002213058	XDWTVDPXEBUPDZ-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H]1CCCCCCC[C@@H]1O	2003116420	IPQATNXDOAIAEJ-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@@H]1CCCC2(CC2)C1	2003218562	RVVAMDSAJMTCGL-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CCCC1)Nc1ccc(CF)cc1	2007022754	BAFRKDQYDWREEY-GFCCVEGCSA-N	235.346	4.537	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@H]1CCCC(C)(C)CC1	2007857346	MNWSQRLQMGWCRM-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC(CC)CC)[C@H]1CC	2009250600	XYQINHYWRSBGOC-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@H]2CCC(C)(C)CCC2=O)C1	2009403352	BHVKEJPXIPBSHK-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCCCC1CC(N[C@H]2CCC[C@H](C)CC2)C1	2009713591	CDIUBSVDRRCIOC-UIDBIOKJSA-N	237.431	4.514	0	10	BJAE	
CCCCCC1CC(O)(C2CCCCCC2)C1	2009716327	RLRBPOOYTHWYDJ-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(N)[C@H](C)CC(C)C)CC1	2010741462	AUTGFTARMWWDCX-FMKPAKJESA-N	237.431	4.523	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H](CC)CC(C)C	2010994343	FKCOYYBLMMRMCT-CVEARBPZSA-N	237.431	4.548	0	10	BJAE	
CC(C)C(CCC[C@H](N)C1CCCC1)C(C)C	2015359889	YLIBXAVWIKBBMH-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CC2(N)CC(CC)(CC)C2)CCC1	2015644509	NNVRAWGPCTZJJA-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC1(CC(=O)C2(CC(C)C)CC2)CCC1	2015750153	SLCBZFXTJWSHGF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)C[C@H](C)C1CCCCC1	2016102747	HWMQDZXKQMGHSH-BPUTZDHNSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCC[C@H]1C(C)C	2016146615	YGRSYFIGOCRGSA-JYJNAYRXSA-N	237.431	4.536	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@@H]1CCCC1(C)C	2016146678	ZAHRSODAIPXEKK-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC1(C(C)C)CCC1	2017114728	PARNIJWRVYPKLF-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CC2(C(C)C)CCC2)C1	2017129584	QJWFFNDEFIMJNE-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)CC(C)(C)CC)CC1	2017658161	KYBFPFDAJGGJKG-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(N)CC2CCC2)CC1	2017728957	QYFWOIFTCFDLMQ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CC1CC1)C[C@H]1CC[C@H](CC)CC1	2017731168	OMOJNCMBBOXDEB-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(N)C(C)(C)C)CC1	2017732063	YAMHNCAKENXDMY-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCCC1(CC(=O)C2CC(C(C)(C)C)C2)CC1	2018949452	FSRFEFDZWNCZEC-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](C[C@H](C)C(C)(C)C)NC)CC1	2019006008	LJTXOBONSXFPFS-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)N1CCCCC12CCCCC2	2019386140	RJECOQNSDFZHGP-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2C=CCCCC2)cc1	2019496605	SJHVHRVLRNACBE-OAHLLOKOSA-N	229.367	4.721	0	10	BJAE	
CCC(O)(CC)C[C@H]1C[C@@H]1C1CCCCCC1	2022455587	XRLMIHGTHLEMLV-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@H](O)C[C@H]2CCCC(C)(C)C2)CCC1	2024125749	VICPPUAIEYXZAA-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@@H]1CC12CCC2	2026166786	MKJCPSHYBOKPQF-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccccc1[C@H](O)C[C@H](C)CC(C)C	2027899365	NZWBESRUTRKGJZ-RHSMWYFYSA-N	248.410	4.745	0	10	BJAE	
C[C@@H]1CC=CC[C@@]1(CCC(C)(C)C)CNC1CC1	2027927414	XDGBNDVVTZLNRP-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@@]1(C)C[C@H]1C	2028873214	VHSKXIBVAZEVFX-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC2(C3CCCC3)CC2)CC1	2029738578	TYMOQJJWQPUXNC-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1)[C@@H](C)CCC(C)C	2029835421	GDIMFIGFWMATSB-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
C[C@H](C[C@H](N)[C@@]12CCCC[C@H]1CCC2)C1CCC1	2031757741	IKFSIJFJMGDNAH-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](Nc1ccccc1C1(C)CC1)[C@@H]1CC1(C)C	2032245878	NBHIRYSEDHTJQH-JSGCOSHPSA-N	243.394	4.585	0	10	BJAE	
O=C1[C@H]2CCCC[C@H]2C[C@H]1CCC1=CCCCC1	2034267328	HONCDXSDEJMTSA-XHSDSOJGSA-N	246.394	4.662	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C2CC3(CC3)C2)cc1	2036181450	CWEDQEDZEPYLTH-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@@H]2CCCC[C@@H]2C)c1	2037143299	QQEVJRQCGWGDQO-IAOVAPTHSA-N	245.410	4.636	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)[C@H]1CCC2(CCCC2)C1	2037690663	NKKYPUGDBMODBS-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CCNC1CC1)[C@@H]1CCC2(CCCC2)C1	2037692478	UFKIDFOTNCZJHU-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CC3CCC2CC3)CC1=O	2037877802	XMZSMLKQBZLCKY-OOJKYFRXSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCC1CCCCC1)CC1CC2(CCC2)C1	2037980456	YJHOEQGWXUMGRD-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(CCNC2CC3(CCCCC3)C2)C1	2038093545	CHHWHJYMTKVIJF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(N)CC3(CC(C)(C)C3)C2)C1	2039461371	DJZOURHYTZKSPQ-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@@H](Nc2cccc(C)n2)CC1	2041500484	VCUQRAOKBCIZGN-LSDHHAIUSA-N	246.398	4.551	0	10	BJAE	
CC1CCC([C@H](C)N[C@@H]2CCC3(CCC3)C2)CC1	2043607565	SKBXZUBVNWHFST-BHDPWAOGSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(F)c2ccc(N)cc2)C1	2045506871	NLZQAQGVZGBGRV-BBRMVZONSA-N	249.373	4.670	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@H]1CC(C)=C[C@H](C)C1	2045758856	RKAGYFZYDJHPRJ-IAOVAPTHSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2CC23CCCCC3)CCC1	2047014892	FFMWETFHKGFTTF-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
Cc1cc2ccccc2n1C[C@H]1CC12CCCC2	2047062152	LLGPUMWONFGDHK-OAHLLOKOSA-N	239.362	4.530	0	10	BJAE	
CCCC=CCNC[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047433979	GMLFDMHTXQRQEK-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@@H]1CCC12CCC2	2047933259	RZUSBMZONRDFAZ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)C[C@H]2CCC23CCC3)CCCCC1	2047934063	YPZLMJXJJBTUAL-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CNC[C@]1(CCCCCC2CC2)CCC12CCC2	2047935036	GMXDYHWOMMWJMV-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2CCC[C@H](C)C2)cc1C	2049535847	HZIIHRZHDZDRLD-APHBMKBZSA-N	245.410	4.930	0	10	BJAE	
C1CCCCC(NCC2[C@H]3CCCC[C@H]23)CCC1	2049680086	BQEKTOFSCSCDKR-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C[C@@H](C)CCC(C)C)c1ccc(C)cc1	2050441437	MZVUDNMGAONNMG-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
Cc1ccccc1[C@@H](O)CCCCCCC1CC1	2050442321	UYYNLTGFCXZSHY-KRWDZBQOSA-N	246.394	4.779	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@@H]2C=CCCC2(C)C)C1	2055534741	CRHFLWONIDPHRT-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H]2CCC23CCCCC3)CCC1	2055554012	DXZNVPUSPDTGAF-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CC=C(C)[C@@H](NCC)c1cccc(C(C)(C)C)c1	2056776080	RRWWGADWNQZKPR-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CCC[C@H]1NCC[C@]12CCCC1(CCCCC1)C2	2058476502	WYUKFLMBTNJKBX-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CC12CCCCC2	2059254066	WWEJCQQPEVLMBF-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC(Nc2ccccc2C2(C)CC2)C1	2059398008	POHDNZKUGORKDL-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCCCCC2(C)C)CC1	2061110452	GTVOBZUUYXSMNA-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CC[C@]23CCC[C@@H]2C3)C1	2061600814	CNBDJHCOAOWOTI-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063486252	HYCPUUULZQCMLT-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](Nc1c(C)cccc1F)c1occc1C	2063670326	BYKXGEYGDRZXRU-ZDUSSCGKSA-N	247.313	4.599	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC23CCCC2CCC3)C1	2063905953	RASVGUWSOYTPAF-NUWOQIAWSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(NC(C)(C)C2CCCC2)n1	2066351018	DXUJTZQDHRUCRR-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)CCC1	2069279285	UWMLGDRXRWJXKA-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)C1(CC(C)C)CC1	2069517762	QAIFQFVDWKPRCA-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
c1cc(C2CCC2)ccc1NC[C@]12CCC[C@@H]1C2	2070802385	CNVUUHBRGCKGGU-NVXWUHKLSA-N	241.378	4.556	0	10	BJAE	
c1cc(C2CCC2)ccc1NC[C@@]12CCC[C@H]1C2	2070802386	CNVUUHBRGCKGGU-RDJZCZTQSA-N	241.378	4.556	0	10	BJAE	
CCC1CCC(CC(=O)C2(CC3CC3)CC2)CC1	2072871302	NEJMMKPDRNMXPM-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(OC)c(C)c1	2073344603	CZBFKPJVYRBBBU-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(N(C)C)cc1	2073347664	SSBPAACSRFATMB-CQSZACIVSA-N	248.414	4.523	0	10	BJAE	
CCCNCC(=C[C@@H]1CCCC2(CC2)C1)C(C)C	2073792363	XEISSQLCOWVGOE-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CCCC1(CC2(N)CCC3(CCCC3)CC2)CC1	2074623175	FMEVKGJFWQFOLE-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCCC1CC(CN(C)[C@@H](C)c2ccccc2)C1	2074793276	SCYQGPCTSHVXDV-FHERZECASA-N	245.410	4.506	0	10	BJAE	
CC(C)CC[C@@H](C)N1C[C@@H](C)Cc2ccccc21	2075232560	BUNPRASTBIVLJN-LSDHHAIUSA-N	245.410	4.510	0	10	BJAE	
CCCC=CCNC[C@@H]1C[C@@H]1C1CCCCCC1	2079462380	PNCTWCPIUSEJAL-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CCCCCCC(=O)C[C@H]1C[C@@H]1c1ccccc1	2079852978	TVMVNJVNSMGGPN-DOTOQJQBSA-N	244.378	4.720	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C[C@]1(N)CCC2(CCCCC2)C1	2079887224	UTYIAHKDMRPHMK-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@H](C)CC(C)C)c1	2082959081	JNLUODJVUPIJFE-GFCCVEGCSA-N	246.394	4.867	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)CCC23CCCC3)C1	2082982661	MOLARRXRRVMEAM-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)C[C@H]3CCC[C@H]2C3)CCC1	2086169350	VDNLBINIHANANC-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1CCN(C)CC(CC)(CC)CC	2215369172	NAALQBXQMULWNR-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCC[C@@H](C(C)(C)C)C1	2216260564	YQHOWDOJFDDBKZ-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCCC(C)(F)F)C(C)=C(C)C	2216271229	HPYOMCJUVRKJCR-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CCC(F)(F)[C@@H](O)CCCCCCCC1CC1	2216861726	IEGLRCNZLBCBBN-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC(C)[C@@H](C)[C@H](O)CCCCCCCC1CC1	2216891961	CEJJWHCWEKVIDV-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
C(CCC[C@@H]1CC[C@H]2CCC[C@@H]2N1)CCC1CC1	2218718228	LPXHQWJIFFNYFG-ZACQAIPSSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC)C/C=C/c1ccccc1	2219081166	GMQNQDACWGNNRX-BSBMYWPDSA-N	245.410	4.504	0	10	BJAE	
NC1CCC(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	2222933432	LQUBEOODECURCE-IEKCDTDMSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](NCC)c1cccc2ccoc12	2224181361	PJWBADOMMHGGPZ-HNNXBMFYSA-N	245.366	4.664	0	10	BJAE	
CC(C)CCC(=O)CCCCC[C@H]1C[C@@H]1C	2243902801	OGQNTJYEOQXWPQ-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
Cc1scc(C(=O)[C@@H]2CC23CCCCC3)c1C	2246368257	AZZRELASIQSSOQ-ZDUSSCGKSA-N	248.391	4.518	0	10	BJAE	
Cc1cscc1C(=O)C[C@@H]1CCCCC12CC2	2246613409	AKYJMPXEYQOJFO-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCC(CC)C[C@H](N)CC[C@@H]1CCC[C@@H](C)C1	2246659435	ILDHJFZGEPFFOR-VNQPRFMTSA-N	239.447	4.747	0	10	BJAE	
CSc1cccc(NCCCC[C@@H]2C[C@H]2C)c1	2247091203	HBBBFZXIMSALEP-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
C[C@H]1C[C@H]1CCCC[C@@H](N)C1CCCCCC1	2247175607	KAEXJOQZQIQDME-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@H]1CCC12CCC2	2247363492	DIDJDNZIEQADNB-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCCCCNc1cccc(C(C)(C)C)c1	2249264591	SCGIALNUMCVPMN-UHFFFAOYSA-N	233.399	4.976	0	10	BJAE	
CCC[C@H](CC)[C@H](CC[C@@H]1CC1(C)C)NCC	2250369689	VXXSSYNLRAOKNE-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNCC1=CCCC1	2250492888	XQHZXDYPVPTVSE-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@H]1NCC[C@@H]1C	2250530575	USNDUGPYHBRGKJ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@]12CCCC[C@@H]1CC2	2251162375	KOCJRFWJSSEFEG-CZUORRHYSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCN[C@@H](C(C)(C)C)C1	2251257649	MJDOYXMLYXNVBB-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C)c1OCC1CC2(CCCC2)C1	2254083248	XUDBZNLZENPYFM-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)CC1CC2(CCC2)C1	2254567624	AGMIYMHVMWQCGY-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CCCC[C@H]1C[C@H]1C	2254587456	QOHNZGYQARDWMV-OWCLPIDISA-N	246.394	4.553	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2254596173	NDEJDKMVVWSCSX-NPCUJANDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	2254603949	FUXRQQUIXNLLRB-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCCCN1CC[C@H]1CCCC12CC2	2255251314	NYTBFAQKJAYEBQ-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CC[C@@H]2CCCC23CC3)C1	2255262951	BBORYFXWODTFQR-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C(=O)C[C@H]2CCCC23CC3)C[C@H](C)C1	2255327203	QCVIXACNHOSSHD-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CC(=O)C[C@@H]2CCCC23CC3)CCC1	2255337220	IYGFDJFPWUZHLJ-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC=CCCC1)[C@H]1CC1(C)C	2257088630	BBMOIMZFQPYBAX-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C(=O)C[C@@]23CCCC[C@@H]2CC3)CCC1	2260587390	MPNZMSOAXSJWOD-ZBFHGGJFSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@]12CCC[C@@H]1CC2	2260587839	PEVQXKXZNKZIQD-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)C[C@]23CCC[C@H]2CC3)CCCCCC1	2260611676	WLXNHHLKIVAJTP-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@H](C)CC1CCC1	2298854257	RBKFIWOSARVQDE-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C1(C)CCCC1	2300684347	STICVXMDGWOXJM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@H]1CNc1cc(C2CC2)ccc1Cl	2300691904	ZQQVRYYDBVEMGA-GFCCVEGCSA-N	249.785	4.675	0	10	BJAE	
CC(=CC[C@H](N)CC1CCC1)CCCC(C)C	2300876180	CWZWFHZPDKYUAP-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CC[C@@H](O)[C@H]1CCCC(C)(C)CC1	2300877154	OAYPKYKHWWNSSD-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H]1CCC(C)(C)C[C@H]1CC=C(C)CC	2300926891	PUJZVIMJHLZLQB-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C[C@@H]([C@H](N)CCCC1=CCCCC1)C(C)(C)C	2302348654	FRGGVESTTZRYMP-DZGCQCFKSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC[C@]1(C)CCCCN1	2302542211	IUXCXMUUWXMYFX-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
NC1(C=CCCCCCC2CC2)CCCCC1	2302633781	VYWRBHIEVGQOFK-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@](C)(O)C2CCCCC2)C1	2302893150	SIGIBANGHIHFCF-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC(C)=C(C)C1)C(C)(C)C	2303520381	GRQMUMAZTOIQMX-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCC(C)=C(C)C1)C(C)C	2303585317	VLDMVHOFGPWAMW-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(CN)CC[C@H]1CCC(C)(C)C1	2304411932	NEJILPYJRNXFQG-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CC1(C)CC[C@@H](CCSc2ccccc2N)C1	2304431995	QFFYMBBOCFXMEQ-LBPRGKRZSA-N	249.423	4.577	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@H]2CCCC3(CC3)C2)n1	2307695205	PNEYJKXMCYRBLB-WOPDTQHZSA-N	247.407	4.704	0	10	BJAE	
CCC[C@@H](CC)CC1CCC2(CCCN2)CC1	2307891419	CFTSFZHTXSVKRR-QQFBHYJXSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2311163318	FIQKSNXPASDDRZ-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1C)C1=CCCCCCC1	2311273876	RWPBNRSXLCCFQM-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CC=C[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCCC1	2311535596	HLPRIICHVUZJAF-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NC[C@@]12CCCC[C@@H]1CC2	2313324861	DOJRZYKGPUEGKG-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
COc1ccc(C)c(N[C@@H](C)CCCC(C)C)c1	2313564607	WGEQLYJNZPEBTE-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@H](C)CC1CCC1)N2	2313644876	LOICYOFCEMSOJO-CZUORRHYSA-N	243.394	4.548	0	10	BJAE	
NC[C@]1(CC2CCCCCC2)CC12CCCCC2	2316923815	IEMQJEWEBKHYDT-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317213602	IGGNOIWUSJJMMA-JJXSEGSLSA-N	248.410	4.620	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CCC2(CNC2)C1	2317557320	ZKESVRMXPDJLPB-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)c1ccc2occc2c1	2317836851	IOCOHSBYKKQPAW-RYUDHWBXSA-N	244.334	4.544	0	10	BJAE	
C[C@H]1[C@H](Nc2cccc(C3(C)CC3)c2)CC1(C)C	2318242631	TYFBISRWIYCSNL-SWLSCSKDSA-N	243.394	4.585	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@H]1[C@H]2CCCC[C@H]21	2318562044	RPFNLOIEKGBRGQ-SCAQPMJSSA-N	246.394	4.662	0	10	BJAE	
C[C@@H](C1CC=CC1)N(C)CCCC1=CCCCC1	2318575380	DUGPUTVNQFJKQW-HNNXBMFYSA-N	247.426	4.554	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)C1=CCCCC1	2318929637	TUGXMIZUVDFYKE-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C[C@@H]2CCC[C@H]3C[C@H]23)C1	2319131715	RHIFJZSUZNPZAG-ORIJERBGSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)CC[C@@H]2CC[C@@H]2C2CC2)CCCCC1	2319735467	XGGNLYURFSWQAB-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)CC1CC(=C2CC2)C1	2320151234	GOXFDBCPFCTTRX-LSDHHAIUSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H]1C[C@@H](C)Nc2ccccc21	2320381366	RRWADEYCQGRDNX-KBUPBQIOSA-N	243.394	4.801	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@@H]2CCC=CCCC2)CC1	2320389377	ZRTFJSHYZGCSGD-SJORKVTESA-N	247.426	4.731	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)CCC2CCCC2)CC1	2320394969	BQJIRRRGMKPTEE-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CN[C@H](C[C@@H]1CC[C@@H]1C)c1cccc(C(C)C)c1	2320516756	KJVSSYDLYLKFJG-JLJPHGGASA-N	245.410	4.507	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1cccc(C2CCC2)c1	2320655980	XHJMSARIDSLQBP-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CNC[C@@]1(CC[C@H]2CCC(C)(C)C2)CC=CCC1	2321619155	JMBRXNXWEYFCAV-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC(C)(C)C1)[C@H]1C=CCCC1	2321634919	WMRQWJQBSIJUKQ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCC(C)(C)C1)c1ccoc1	2321640975	ZXCSJXAFNBWLQF-HIFRSBDPSA-N	249.398	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cccc(C(C)C)c1F	2327808524	XMUXALFURDFXFM-TZMCWYRMSA-N	249.373	4.940	0	10	BJAE	
Cc1ccc2c(c1)Oc1cccc(Cl)c1C=N2	3353182	GZMDZPWNAFEWDX-UHFFFAOYSA-N	243.693	4.505	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@@H](C)C1CCCCC1	37220830	AERSRJUXXCVCKG-GJZGRUSLSA-N	245.410	4.614	0	10	BJAE	
CC[C@H](Nc1cccc(Cl)c1Cl)C(C)C	37243594	LAVCIJXXEVPLCV-JTQLQIEISA-N	246.181	4.840	0	10	BJAE	
CC(C)(C)c1cc(C(C)(C)C)n(C2CCCC2)n1	40927983	UHXDHXWTQOENNA-UHFFFAOYSA-N	248.414	4.593	0	10	BJAE	
Cc1ccc(-c2cc(C)c(Cl)cc2O)cc1C	41660960	JGQDSQTWYNGLMH-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CCCSC2)cc1	61574564	LUDOJAGBNBCWFN-WFASDCNBSA-N	249.423	4.508	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC(C)(C)C)NC	82674338	VWPLPPVXLGOWFH-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccc(O[C@@H]2CCC[C@H](C)C2)cc1	85151404	ULVCEJOMQSJCIA-XJKSGUPXSA-N	232.367	4.768	0	10	BJAE	
CCc1ccc([C@H](C)Nc2ccsc2)s1	85528481	LCWHFJRUTJVZRX-VIFPVBQESA-N	237.393	4.545	0	10	BJAE	
C[C@@H]1CCC[C@H](NC(C)(C)CC(C)(C)C)CC1	86886033	PVWXCNXLCDSGIX-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
C=C(/C=C\c1ccccc1)/C=C\c1ccccc1	90188705	GKTRPKKUJPPWID-DZDAAMPGSA-N	232.326	4.969	0	10	BJAE	
CC[C@@H](C)n1c2ccccc2c2ccccc21	90414415	ZUJCVBCKDAFTBW-GFCCVEGCSA-N	223.319	4.766	0	10	BJAE	
C1=Cc2ccc3cc4ccccc4cc3c2CC1	95852074	QAOBWUDWTZDFAO-UHFFFAOYSA-N	230.310	4.952	0	10	BJAE	in-vitro
CCCC[C@H](CC)C[C@](C)(O)c1ccc(C)cc1	103937638	PQARGXXNFPIGJN-RDJZCZTQSA-N	248.410	4.809	0	10	BJAE	
CC/C=C\C[C@@H](C)c1c(F)cccc1Cl	107504989	YYTCJEVLIKFLSH-UMCURTJPSA-N	226.722	4.939	0	10	BJAE	
CC(C)c1ccc2nc3c(c(Cl)c2c1)CCC3	109692818	DMNMGUJPHIDMBX-UHFFFAOYSA-N	245.753	4.500	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@H]1CCCC[C@@H]1CC	113692312	PJQBZIRXYZEEMB-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C(=O)c1ccc(C2CCC2)cc1	125603672	HOGCYAYPHACALN-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
Cc1cc(F)cc(-c2c(F)cccc2Cl)c1	160408815	JHWKAERUKNEGIQ-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
FC(F)c1ccc2ccc(C(F)F)cc2c1	166925460	STJGVBAOJZKFAC-UHFFFAOYSA-N	228.188	4.715	0	10	BJAE	
CC1(C)CCC[C@](O)(CC2CCCCC2)CC1	203698106	CCNSBQTYBYCECS-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)(F)C1(c2cccc(F)c2)CCCCC1	220741415	QCUAQECMEUXWTG-UHFFFAOYSA-N	238.321	4.776	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H]1CCCC1(C)C	226557541	YFZJALNVRIVJLM-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1	229190392	JPDPXEBYUUWGOC-VHDGCEQUSA-N	244.378	4.558	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@H](C)[C@@H](C)C1	250834632	UAUYAJXIXOZBTN-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](CC[C@@H]1CC[C@@H](C)[C@H](C)C1)NCC	251098974	DBOYIVZFGMZNQP-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC[C@H](CC)C1)C(C)C	251531524	AJOOZVWKEBJVAU-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@H](c1ccccc1)C(C)(C)C	252387627	BDDKWTFXNWHWEB-SQWLQELKSA-N	247.426	4.798	0	10	BJAE	
C[C@H](C(=O)c1ccccc1)[C@H]1CC[C@@H](C)[C@H](C)C1	252907001	VTKFIIJKSBKHQF-NYTXWWLZSA-N	244.378	4.578	0	10	BJAE	
Cc1ccc(N=Cc2ccc(Cl)cc2)cc1C	254823032	DSMIMOXNMIRQPR-UHFFFAOYSA-N	243.737	4.707	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](O)[C@H](CCCC(C)(C)C)C1	302326834	RNPCOSAZZNJORC-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
Cc1cccc(S[C@@H]2/C=C/CCCCC2)c1N	305927544	CTKWYIUFXVTNOX-OMDQHUAHSA-N	247.407	4.558	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)C1(CC(C)C)CCCC1	310127403	XNFSCVPWPIPCKW-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CCc1cccc(C)c1NC[C@@H](C)C(C)(C)C	310296869	MGJYLHCUDVSNDM-CYBMUJFWSA-N	233.399	4.652	0	10	BJAE	
CCN[C@@H](C)c1ccc(C2=CCCCCC2)cc1	310647046	WRNSHDZCASWVMF-AWEZNQCLSA-N	243.394	4.705	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)[C@H](C)C1CC1	311241090	WOZLPSYWQBGDCS-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1ccccc1C(C)(C)C	320159722	KQWAKAYQZAUIBV-CHWSQXEVSA-N	246.394	4.849	0	10	BJAE	
CC[C@H](N[C@H](c1ccccc1)C(C)C)C1CCC1	322482815	USWNRPMJOYQGIT-IRXDYDNUSA-N	245.410	4.552	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2sc(-c3ccccc3)nc21	379714564	INIVEJPCFVCIKQ-GHMZBOCLSA-N	243.375	4.811	0	10	BJAE	
Cc1cc([C@H](C)Nc2ccccc2C)cs1	381326846	AGVQTHZVIXOBCD-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@@H](C)C[C@@H]1C	383555424	RBDKNDYTQMZBRB-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC(C[C@](C)(O)C2CCCC2)CC1	387492135	ZLEBXPWCQJHNNS-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CN[C@@H](CC)C[C@H](C)CC)CCC1	391885261	ZIUSFAXQXMFXSO-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)/C(=C/C1CCCCCCC1)CNC1CC1	393867347	ZSSFDVDAGOHSEG-FOWTUZBSSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(=O)CCCCCC(C)C)cc1	394821643	PUJGRUOBJJJSAR-UHFFFAOYSA-N	232.367	4.784	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1cc(C)ccc1C	395122658	LVEIVANCRSKUBA-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
CCCc1ccc([C@H](O)C(CC)(CC)CC)cc1	395238670	SNDKMTXLWVSSEX-INIZCTEOSA-N	248.410	4.889	0	10	BJAE	
CCc1cc2sccc2c(CC)c1C(F)F	396218847	HMEMMDJQUMLUCI-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@@H](C)CCC2CC2)c1	398045396	SQWUEUOJPUAQFK-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
C[C@H](CCC1CC1)N[C@H]1CCCC(C)(C)CC1	398106512	KRYWELJDELMFSB-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@@H](C)C(C)(C)C	399229784	YVHKCXVXLVSPHO-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)c1cc(C)cs1	401113967	LOVFUIRQFGNWKP-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
O=C(CC1=CCCC1)c1cccc2ccccc12	401174572	VERZZHZVRJVEGB-UHFFFAOYSA-N	236.314	4.523	0	10	BJAE	
CCCC1CCC([C@@H](N)C[C@@H]2CC=CCC2)CC1	402149721	LXJDHPUTJGEJJC-MYBQVCMBSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC(C)(C)C1CC1	405708651	DMAWPWOQVHQUGA-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCC(C)(C)C1CC1)C(=O)c1ccccc1	405972478	GADNDWFZWBWOPD-ZDUSSCGKSA-N	244.378	4.722	0	10	BJAE	
CCC1(CNc2cc(Cl)ccc2Cl)CC1	687537099	JXZDFQQZRKMRJQ-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
C[C@H]1C[C@@H](CCCC2CCC2)Nc2ccccc21	688373948	JONHOEDJUVYTES-DZGCQCFKSA-N	243.394	4.945	0	10	BJAE	
CCC(C)(C)C[C@H](NC)c1cccc(C(C)C)c1	688968124	RXSPNXNMPZZGRU-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CCC12CCCCC2	693804998	MKHYXVXELSMIKT-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC12CCCC2)c1ccsc1	693888198	PFHNVOVXKYECTQ-ZIAGYGMSSA-N	249.423	4.512	0	10	BJAE	
CCCCCC[C@H](C)NCC(C)(C)C(C)(F)F	697132811	AYKXGTCWNLLURZ-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCN[C@@H](CCCCC=C(C)C)c1ccccc1	697767716	RKEILZWCSZDVTJ-KRWDZBQOSA-N	245.410	4.864	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1C[C@@H]1C(C)(C)C	699850050	JKIUIUWHQPNEIT-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(N)C1CCCCC1	704857454	GCENLPQHOGRQQZ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@@H]1CCC[C@@H](C)C1	704957517	OVNRCDMNTBFYHH-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
C[C@](O)(C1=CCCCCCC1)[C@@]12CCCC[C@@H]1C2	709257412	WXKAMDZWGRIVCW-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H](CC)C(C)C	709671219	HDSPXLFFTSOCPJ-INIZCTEOSA-N	247.426	4.966	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H](C)C(C)(C)C	710826885	FNKAOUVWYDAMKO-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@H](C)C(C)(C)C	711126134	JQCZTHYDFMTWQF-IHRRRGAJSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CC[C@H]3CCCC[C@@H]3N2)C1	712298678	HIOMQOFRUGDPBJ-ALYAQQCSSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(CC(C)(C)C(C)C)C1	713144875	DAFPQJHUGQNPCR-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
CC(C)NC[C@H](CC(C)(C)C(C)C)C(C)(C)C	713212142	MWFALMCSJBXQTB-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C[C@H](O)CC(C)(C)CC)C(C)(C)C	713216123	FQJHTOXVNIYVBE-OLZOCXBDSA-N	228.420	4.636	0	10	BJAE	
C/C=C/CCc1cc2c(cc1Cl)CCCC2	714543478	JYKYGGDDBAHHPW-NSCUHMNNSA-N	234.770	4.728	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CC(C)(C)CC[C@H]1C	717535738	VMXAXMONSXRMKD-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
CCc1ccc([C@@](C)(O)CCC(C)=C(C)C)cc1	718692683	ONWGTRZEMWAGSF-KRWDZBQOSA-N	246.394	4.593	0	10	BJAE	
CCNC[C@]1(CCC(C)C)CCC=CCCC1	719090543	UHKYTFUWOQJTCP-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	723130687	JBZPOYGEVFYMJJ-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](N[C@@H](C1CCCCC1)C1CC1)C1CC1	723979311	BKGDFHRKESCMCD-IRXDYDNUSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](c2ccc(F)cc2)C1	725349350	CFVSLXXCUTWNQC-LBPRGKRZSA-N	206.304	4.510	0	10	BJAE	
Cc1ccccc1S[C@H](C)c1ccccc1	1640873142	BVPXSFFGKGQPLH-CYBMUJFWSA-N	228.360	4.848	0	10	BJAE	
c1ccc([C@@H]2CC[C@@H](CSC3CCC3)C2)cc1	1643940749	BNSMTCGELDACCZ-UKRRQHHQSA-N	246.419	4.856	0	10	BJAE	
CCSc1nc(-c2ccc(C)c(C)c2)cs1	1860797791	ZTGREQJPCUIQLV-UHFFFAOYSA-N	249.404	4.539	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)[C@@H](C)C(C)C	1901711595	BXRRBDACBMVXMG-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CC)c1cccs1	1905380028	DAIKLVBHPPTUSE-GXTWGEPZSA-N	240.412	4.562	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)CC1CCCCC1	1905389195	LFSMSKOFAXZYIF-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
C(=Cc1ccccc1)CC[C@@H]1Cc2ccccc2N1	1912009643	HGZWLNWWBCRTQC-QGZVFWFLSA-N	249.357	4.517	0	10	BJAE	
C=CC=CCC[C@H]1CCCC[C@H]1CNC(C)(C)C	1912013584	GGMTYMXLKWDZTQ-HOTGVXAUSA-N	249.442	4.703	0	10	BJAE	
Cc1cccc(OCc2cccc(Cl)c2C)c1	1913052681	FZTKPEVIDHXQIL-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC(C)(C)NC[C@]1(CCC2CCCC2)C=CCC1	1916336437	CMNNWGPESVWCNX-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC(C(=O)C[C@H]2CCC[C@@H](C)C2)C1	1921275929	PHSJCMRNSBZEIX-JLVJUDLZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H]([C@H](C)C1CCCCC1)C(C)(C)C	1924148520	LZKMTNWEUPWSNC-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1C=CCCCC1	1925765101	KFUYUHCMHXIKDJ-HUUCEWRRSA-N	236.399	4.908	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@H]1C=CCC1	1926184815	JURWDGYOPMOGPC-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)(CC[C@H]1C=CCCC1)CC(F)F	1932598947	PZAHLRMGEQXYQJ-NSHDSACASA-N	216.315	4.804	0	10	BJAE	
c1ccc(CNC2CCCCCCCCC2)cc1	1932867036	ASBTULZMUZXOMR-UHFFFAOYSA-N	245.410	4.669	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1csc(Cl)c1	1933587124	JBIIFMQJMMPBRK-BXKDBHETSA-N	246.803	4.507	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1ccccc1C(C)C	1940616329	MICMUWNFERFHLX-CZUORRHYSA-N	233.399	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCC[C@H]2CC2(C)C)C1	1940872578	NIMRYNZSEZASND-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCCCCC2CC2)C1	1941574476	BEEHVMXCEIQPAP-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC(C)C)C1(CC)CC1	1942654167	YAUPCGWKKWTKIM-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](O)C1CCCCC1	1944619741	YUXLQGDVTCBUJY-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C[C@@H]1CC1(C)C	1944748637	BQJHUXCSFURZIE-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@H]1CCC1(C)C	1945752642	VTPKAQRBACEQOF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
Cc1ccsc1[C@H](C)N[C@@H]1C=CCCCCC1	1946324782	JEPZSNBEXKTSDP-UONOGXRCSA-N	249.423	4.596	0	10	BJAE	
C[C@H](CC(F)F)NC1CCCCCCCCC1	1947881516	PPAXGIOVSCIKGH-GFCCVEGCSA-N	247.373	4.513	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)[C@@H](C)CC(C)C)c1	1948326925	NGFRYGXGGNXWDU-QWHCGFSZSA-N	237.362	4.617	0	10	BJAE	
CCCN[C@@H](CCC)CCCC[C@H]1CC1(C)C	1948849079	QOSSUZHOAQCRKR-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@](N)(CCC[C@H]1CC1(C)C)C1CCCC1	1949051869	SBXHVQPSGCYTPO-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](Oc2ccccc2C(C)(C)C)C1	1949501720	OZHFMRBNHXAWQI-OLZOCXBDSA-N	232.367	4.552	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CC(=O)CC1CCCCC1	1949907247	LZLZTXPJYNITRN-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)[C@@H]1CCCC(C)(C)CC1	1950916275	AAYGXCMYJLTHQB-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C(CCN[C@H]1CCCC12CCCC2)CCC1CC1	1966250168	QTMJHPYPRYXVQB-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCc1ccc(N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)cc1	1968314224	QTZSUDSPOIQACM-VMUDFCTBSA-N	245.410	4.732	0	10	BJAE	
CCc1cccc(N[C@@H](C)C2CC3(CCC3)C2)c1	1968339832	OYZIQDKEEVTFPT-ZDUSSCGKSA-N	243.394	4.630	0	10	BJAE	
CC[C@H](NCC1(CC2CC2)CC1)C1CCCCC1	1972207766	BTWACZSRIRWUFD-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCCCC1)NC1CC[C@H]2C[C@@H]2CC1	1973359366	TXNPNFHSCQSKNH-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@@H]1CCCC(C)(C)C1)C12CCC(CC1)C2	1973850574	YTELBWCRFXNRBL-UJEKJILKSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(NCCC23CCC(CC2)C3)C1	1973948671	KVXIARQDQYXXPT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCCCNc1ccccc1SC1CC1	1975970027	FAQLEQHQXFUYMI-UHFFFAOYSA-N	235.396	4.543	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)CC(C)(C)C	1978637313	HVKAMTDMECEEIT-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
O[C@@H](CCCCCCC1CC1)c1cccs1	1980699969	TWJZWANFYHTLBH-ZDUSSCGKSA-N	238.396	4.532	0	10	BJAE	
CCC(C)(C)[C@@H](N)C1(C)CCCCCCC1	1981415943	KCUSBMZUOBICEW-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
C/C=C/CCCCC[C@@H](CCC)NCCC	1984632071	IXWPCPQTIBBYLM-NFBGWVBBSA-N	225.420	4.681	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cccc(Cl)c1F	1989823700	IMPJFBTTZNUSEN-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CCCCC[C@@H](CC)[C@H](NCCC)C(C)C	1990094470	WDYIXCRCVVFJSP-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@@H](C)C(C)(C)C	1990123894	REXOHKQFCLOSLL-ZIAGYGMSSA-N	227.436	4.569	0	10	BJAE	
CCCCCCN(C)[C@@H](CC)CCC(C)C	1990800901	BWLVRNDLQQNFJG-HNNXBMFYSA-N	227.436	4.713	0	10	BJAE	
CCCc1coc2c([C@@H](C)CC)cccc12	1995443686	BPKTXUWHRZUUFR-NSHDSACASA-N	216.324	4.899	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@]1(C)CC=CCC1	1997582919	HDNLOFDRLUOAEK-XHSDSOJGSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C(=O)C[C@H]1CCC=CCCC1)C(C)C	1999989113	XBLTVCZMOFDARB-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
CCCN[C@@H](CCC)C[C@H]1CCC=CCCC1	1999990075	GXIIBWLSLBBZNS-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC[C@@H]2CC2(C)C)C1	2000103891	AVWXSVZEIKYLGA-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C2(CN)CCCCCC2)C1	2000163593	UBWWFDKNHROVJR-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CCC1CCCC1	2000294554	VRVONPMSXQHKNW-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
C=CC=CCC[C@@](C)(CCC)CNC(C)(C)C	2000516609	XFCHAONDJCHIMW-MRXNPFEDSA-N	237.431	4.703	0	10	BJAE	
C[C@H]1CC(N(C)[C@H](C)CC(C)(C)C)C[C@H](C)C1	2000909118	HVIPTDURNCFNLF-MGPQQGTHSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1CC12CCCC2	2001258816	JBKITGQGMDRMRT-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C(CCC)CCC	2002502911	BEXHIOURCLXVIH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CNCCCC(C)=C1CCC(C(C)(C)C)CC1	2002705656	CQZBPHZWRCZGQA-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)cc1	2002999189	QYBCJWIYKBZRPW-RBSFLKMASA-N	231.383	4.622	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H]1CCCCCCCC1=O	2003070239	KEKQRTAGLWQWFO-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CC[C@H](CC2(N)CCCCCCCC2)C1	2003098633	HFKXBAWOQRZODP-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCCCC[C@@]1(CO)CCCC[C@H]1C	2005581526	ZBZNDOWZSDWLKC-CVEARBPZSA-N	240.431	4.782	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CCC(C)(F)CC1	2005891737	VHAAVOXWVPNPQM-NFOMZHRRSA-N	243.410	4.593	0	10	BJAE	
CCCN[C@H](C(C)(C)C)C1(C)CCC(C)CC1	2007696205	YAJSQXGDLFHDHR-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H]1CC[C@@H](C)CC[C@@H]1CCCC(C)(C)C	2009409206	ZMHMWCMNRFAPIM-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(CCC2(C)CC2)CC1	2009545191	XJUZBEIWRDXDAV-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C1=CC[C@@H](C(C)C)CC1	2010720284	WTLJLGGBQQLIGG-SQWLQELKSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@@H](C)CC(C)(C)C)CC1	2010763503	LKGWFTQSDFOFSV-GUTXKFCHSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)(CC)CN(C)CCC[C@H]1C[C@H]1C	2011578330	XPGWSEGQCOSVHI-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CCC(CC)CC(=O)CC1C[C@@H]2CCC[C@H]2C1	2011952878	FAMZIDZLRAMLBD-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CCC12CCC(CC1)CC2)NCC	2012836841	QOCMODMWVOTBSY-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CNc2c(C)cccc2C)CCC1	2015633558	HCFZOZOCXYJTSE-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@@H](C)[C@H](C)C2)CCC1	2015641985	LBQFHLCTYTZMJX-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](N)C(CC)(CC)CC)CCC1	2015644360	MHBBSHJHMHECAK-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@H]2CC=CCC2)CCC1	2017130286	AAZHCLOHIXYFSO-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)CC1(C(C)(C)C)CCC1	2017148987	VFYHNZGTDKIPQD-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNC(C)C)CCC1(C)C	2017466785	OZSZXLLHDKHZIH-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C[C@]2(O)CC[C@H]2CC)CC1	2017655712	FULPZXMYOKDBHU-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@](C)(CO)CCC)CC1	2017711286	BGMFTXXPCPAGNM-UYSNPLJNSA-N	240.431	4.782	0	10	BJAE	
CCCCC[C@H](CC)NC1CC(C2CCC2)C1	2018132195	RTQKSZGEWQMOFJ-PCKAHOCUSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@@H](O)[C@H]2CC[C@H](CC)CC2)CC1	2018968029	QHGUJXJTJMCNPE-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCN(C1CCCC1)[C@@H]1C=CCCCCC1	2019125523	BLEHBUHIOLQDLC-OAHLLOKOSA-N	235.415	4.530	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@H]1C[C@H](C)CC(C)(C)C1	2019386480	QJYOFUMHJVYWNQ-AJNGGQMLSA-N	239.447	4.568	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H](C)C1(C)CCCC1	2019414047	JRIQWKITHQDMOH-LSDHHAIUSA-N	239.447	4.712	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCCCC(C)(F)F	2023353224	LAGBFGAJTSCTSC-JSGCOSHPSA-N	249.389	4.746	0	10	BJAE	
Cc1c(N)ccc([C@@H]2[C@H]3CCCCC[C@H]32)c1Cl	2023976185	QAHLTHVVBHOUMO-YABSGUDNSA-N	249.785	4.524	0	10	BJAE	
Cc1cccc(N[C@H]2CC[C@@H](C(C)C)C2)c1C	2025571847	IRIGXBYOEZNRAQ-CABCVRRESA-N	231.383	4.540	0	10	BJAE	
CCCCC[C@H](CC)O[C@](C)(O)CCCCC	2026323576	IVWITBAWLDSPLR-GJZGRUSLSA-N	244.419	4.651	0	10	BJAE	
CC1(CC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CCCCC1	2027294612	BJODREJFNYTYDU-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CCCCc1ccc([C@@H](O)CCC2(C)CC2)cc1	2027727053	WSUCRTUDEOSMLR-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccccc1C1(C)CC1	2028549810	PYPMOIBYJPLVGU-CZUORRHYSA-N	246.394	4.598	0	10	BJAE	
CC(C)CCCC(=O)c1cccc2c1CCCC2	2029729301	VXOQZSGZFCSZFJ-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC[C@H](N[C@H]1CC(C)(C)CC2(CC2)C1)C1CCC1	2030281493	NRASINVFSYMPIM-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccc(NCC2CCC(F)CC2)cc1	2032178817	OQYXDKIMBFJXRZ-UHFFFAOYSA-N	249.373	4.579	0	10	BJAE	
Cc1cccc(C2(O)CCCCCCCCC2)c1	2035889491	VUPQIXQRXVRVAB-UHFFFAOYSA-N	246.394	4.707	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)C1=CCCCCCC1	2037074542	RMYUEFUODRUZIV-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)[C@@]1([C@@H]2CCC3(CCCC3)C2)CCCN1	2037591403	JAAGKIKHSVPUKD-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)[C@@H]2CCC3(CCCC3)C2)C1	2037673328	VOHHUOHWJWKPMH-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@@H]2CCC3(CC3)C2)C1	2038571600	KXVZYWHIYDCTDF-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
C1=C[C@H](NC2CCC3(CCCC3)CC2)CCCC1	2039031655	GWIRPWIRAPUEGL-HNNXBMFYSA-N	247.426	4.578	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H]1CCC[C@H](C)CC1	2039364305	WRNZWPBEIDVEJA-BHYGNILZSA-N	245.410	4.554	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CC23CCC(CC2)C3)C1	2039420849	NZLQSLWXCYRHSY-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2C[C@H]3CC[C@H]2C3)CCCCC1	2039866961	DAFNHJIHZQCUCV-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@H]1C=CCCCC1)C1CCC(C)(C)CC1	2040636537	SBISJXYZUVRRTG-ZBFHGGJFSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2ccccc2C)CC1	2041383516	OIOXLZLELWKRAX-HUUCEWRRSA-N	244.378	4.784	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CN[C@@]2(C)CCCC2(C)C)C1	2041727950	FTQCESDGFVRJPV-LXZKKBNFSA-N	249.442	4.537	0	10	BJAE	
C[C@H]([C@H]1CCCC(C)(C)C1)[C@@H](O)c1ccccc1	2045370747	KWAUQLBTTYWNNR-VNQPRFMTSA-N	246.394	4.573	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H]2CCNc3ccccc32)C1	2045503599	DTYPGBZLTTWBRR-KGLIPLIRSA-N	243.394	4.802	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2CCC=CCCC2)CCC1	2045566981	XEYHAZKLBCEBQF-HNNXBMFYSA-N	248.410	4.908	0	10	BJAE	
N[C@@H](C[C@@H]1CC12CCCCC2)C1CCCCCC1	2047015664	KJOUTNCETBSHHB-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@H](N[C@H]1[C@H]2CCCCC[C@H]21)C1(C)CCCCC1	2048385539	LGKKETVHWKNNAJ-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc2c(c1)OC1(CCCCCCCC1)N2	2049677429	CEWIZIZHFSSYRC-UHFFFAOYSA-N	245.366	4.630	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@H]2CCC3(CC3)C2)C1	2049848926	MRWZKLFPTPLSDQ-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@](N)(C[C@@H]2CCCC3(CC3)C2)CC[C@H]1C	2049856188	OAHQJNQTUSKAQC-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1=CCCCC1)NCC1(C)CC(C)(C)C1	2050114510	BQTGBFOLRJUFJG-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)c1ccccc1F	2050494277	HPDZMWUPCDSVTQ-INIZCTEOSA-N	249.373	4.576	0	10	BJAE	
CCCN[C@H](CCC1CC(C)(C)C1)c1ccco1	2050523342	RXHAWFBBYIZLOP-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC(C1CC1)C1CC1	2051399668	CQXTUDCHHWLDEQ-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](N[C@@H]1CCC[C@H]2CC[C@@H]21)C1CCCCCC1	2052286965	RLPLQGLHYIBUPT-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H]1CCC[C@H](CC(C)C)C1	2055671420	IDQITLROPHVZIZ-IKGGRYGDSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C1CC(C2CCC2)C1	2057497706	KZLREOXYOIMCBV-VMBOVVBDSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CC(Nc2c(C)cc(C)cc2C)C1	2058832609	BQHNCIDMUPKKHO-UHFFFAOYSA-N	245.410	4.993	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CCC2(CC2)C1	2059251939	CXMMUIMIFCNOSJ-CFSAUIFESA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCCC[C@@H]2C2CC2)C1	2059394402	VGBGQQVLTBHFGW-OKEQZYBDSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC=C([C@H](N)C(C)(C)C2CCCC2)CC1	2061143805	MLPCLPSODPASDB-HNNXBMFYSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@H](CC1CCCCCC1)NCCC	2061561219	PMWAKFBHNIUUPT-QGZVFWFLSA-N	249.442	4.836	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@@]23CCC[C@H]2C3)CC1	2061618884	XIKMNPONUMKXHJ-YYIAUSFCSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](CC2CC(=C3CCC3)C2)C1	2061702229	QPSCKDJMVVLMHI-CHWSQXEVSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](CC1CC(=C2CC2)C1)C(C)(CC)CC	2061725700	HZOLSNWFOXPMOJ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](N[C@H](C)C1CCCCC1)c1occc1C	2063679275	YBKBZSMWXRDUFG-HIFRSBDPSA-N	249.398	4.598	0	10	BJAE	
N[C@H](CC1=CCCCC1)CC12CCC(CC1)CC2	2065307431	HAKCRNKXKXVEGA-ARWYELJZSA-N	247.426	4.565	0	10	BJAE	
CCC[C@](C)(CNC1CC1)CC12CCC(CC1)C2	2065334678	GYFTUFHOGIWEGW-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CCCCC(C)(C)NCCC=Cc1ccccc1	2066403988	MKNYFTPIBXCPBX-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)C)c1ccccc1C(C)C	2068839733	AURLJDURMUIMSZ-YOEHRIQHSA-N	247.426	4.753	0	10	BJAE	
CCCC1(C(=O)c2cc(C)c(F)c(C)c2)CCC1	2069337078	HLBHNPZPTQTJIT-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCC1CCC(CC(C)=CCCNC2CC2)CC1	2072814693	FLRLORDWPHVQEO-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccccc1C1(C)CC1	2072824468	MMTLOZUNZOXBQI-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@@H]2C=CCCCC2)CC1	2075404383	YOSGHKWZNIVIOA-ZACQAIPSSA-N	249.442	4.776	0	10	BJAE	
CCCCc1ccc(C(O)(C(C)C)C(C)C)cc1	2077920916	QMQOQGKVEBLMPM-UHFFFAOYSA-N	248.410	4.529	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](NCC)C1=CCCCCCC1	2079445680	ZAUQBCFVNKCGPD-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
O=C(CC1CCCCC1)[C@H]1C[C@H]1C1CCCCC1	2079491243	HYAZNMAQOPLZHE-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CNc1ccc(C2CC2)cc1	2079612446	FRJAORIQIDWRAA-HOCLYGCPSA-N	243.394	4.658	0	10	BJAE	
CCCCC1CC(N)(C[C@H]2C[C@@H]2C2CCCC2)C1	2079830826	GRKYOQZIXSSTHB-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC1([C@@H]2C=CCC2)CCCCCCC1	2081681738	DWUBVZPZIYYPMX-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)CNC[C@]1(CC=C2CCC2)CCC[C@@H]1C	2081681891	IRAOHGWMURYPMN-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@H]2CCCC23CC3)C1	2082979736	PXQZOQWIEVRIEL-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C[C@@]2(N)CC23CCC3)CC(C)(C)C1	2082980097	SESCFJCJXNRZLR-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)C[C@H]3CCCC[C@@H]32)C1	2082982424	KUMBQFCAZVUQHY-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)c1cccc(C(C)(C)C)c1	2083543039	CXFOOHMNXIGDIZ-STQMWFEESA-N	244.378	4.603	0	10	BJAE	
CC1(C)C[C@H](NC[C@H]2CCC=CCCC2)C1(C)C	2084429591	MROURVSEGHVCAZ-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)NCC(C)(C)CCC(C)(C)CC	2212585929	XVGJNYIYSXVSJP-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC[C@](O)(CCCCCCC1CC1)[C@@H]1C[C@H]1C	2213577226	ZMNNXLSLXJCNAU-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C)(NCCCCCCC2CC2)C1	2213577810	GDTJPBPJNIJPQF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1csc(C(=O)C[C@H]2C=CCCCC2)c1C	2213653686	AYILNVPDYSRUOW-ZDUSSCGKSA-N	248.391	4.684	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C1(C)CCCC1	2214569351	MNEFWSWWDUXPBG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC[C@@H]1C[C@@H]1CC	2215346398	PVHHUNNVSJBTIA-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CC1(C)CC2(CCC2)C1	2215466105	MNYSRYIXOZZGAJ-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@]1(C)CC=C(C)CC1	2215821714	QQZLFYBDKBJNMP-IJEWVQPXSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCCCC[C@@]1(O)CCCCC(F)F	2216470178	ZOQHMWKUZPOPGR-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CC(C)[C@H](C)CNCCCCCCCC1CC1	2216874841	RKZICKCVUXXIOT-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@](C)(CN[C@H](C)CC)CC1CCCC1	2217142239	VLAHEQHMHORLAX-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CN[C@H](C)CC)C(C)C	2217149824	KLJXNVWFMPYOIA-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
C(CCC[C@@H]1CC[C@H]2NCC[C@H]2C1)CCC1CC1	2218721411	RDTKZCKTJDULKL-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)[C@@]12CC[C@H]1C2	2218724482	IXLBKRGPQWPISW-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CC=Cc1ccccc1	2219091855	DFEDVAXXDAGXDG-KRWDZBQOSA-N	245.410	4.634	0	10	BJAE	
CN(CCCCC1CC1)[C@H]1CCCCC12CCC2	2220015371	DYVDJKUNTHFVLC-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](CCCCC1CC1)CC1CC2(CCC2)C1	2220030036	ICWREJVWCDYXGW-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)CC2CCC=CCC2)CC1	2221629519	ZQKHOFMMXBAYRP-SJORKVTESA-N	248.410	4.620	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2c(C)cc(C)cc2C)C1	2221934513	AUUUTFQZRPGQTK-GJZGRUSLSA-N	244.378	4.621	0	10	BJAE	
CC1(C)C[C@@H]1C(=O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222948548	IZZHOLAAGJAWNN-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)n(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1	2222970658	DGFVGLMUYQAKLO-BRWVUGGUSA-N	245.410	4.711	0	10	BJAE	
CCCN[C@H](c1ccc2occc2c1)C(C)(C)C	2224129081	BLQNKNZQAIJKLX-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
C1=C(Cc2ccc3sccc3c2)CCCC1	2243246253	YTNSPYNNPXZRRO-UHFFFAOYSA-N	228.360	4.944	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)CC(C)C	2244838345	UTVBULFTUAYZJH-CQSZACIVSA-N	226.404	4.844	0	10	BJAE	
CCCCC[C@H]1C(=O)C(C)(C)CCC1(C)C	2245486192	KPNKGDCVLOIOGY-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@H](N)CC[C@H]1CCC[C@@H](C)C1	2246732762	NPSGIQZXFNLCPA-OAGGEKHMSA-N	239.447	4.891	0	10	BJAE	
CCCC1([C@H](O)c2cc3ccccc3s2)CC1	2246945008	NAJQEVKOQDPIOR-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
Cc1cc(C)cc(NCCCC[C@@H]2C[C@@H]2C)c1	2247112853	BODSRBSBEUJVNH-LSDHHAIUSA-N	231.383	4.542	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCCC[C@@H]1C[C@H]1C	2247128567	KTOOXIHZBYDZOD-QKPAOTATSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CCC(C)C)NCCCC[C@H]1C[C@@H]1C	2247129224	NDVGPIWXWWCZHB-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](CCCCC[C@@H]1C[C@H]1C)NC	2248818678	DLLNQNFSAIOGOQ-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](CC[C@@H]1C[C@H]1CC)NCC	2250351659	FMYDUVBDNUMSGM-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1c(C)cc(C)cc1C	2250367943	BLXRAXIXLHLQRB-CQSZACIVSA-N	232.367	4.621	0	10	BJAE	
CCC(F)(F)[C@H](N)CC[C@H](C)CCCC(C)C	2250480455	GBXHAWVPLCTBRK-CHWSQXEVSA-N	249.389	4.602	0	10	BJAE	
CC(C)=CCC[C@@H](N)C1CC(CC(C)(C)C)C1	2251542189	NDDCJIRMUJIFGK-YMAMQOFZSA-N	237.431	4.523	0	10	BJAE	
CC=CCCC[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251725266	UTADUPGCCKQAAR-ZIAGYGMSSA-N	238.415	4.556	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@H](N)CC[C@H]2CCCCC23CC3)C1	2253861624	FSBALEGDZHLIQY-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CC3(CC(C)C3)C2)CC1	2254161225	LUDNOHIGLCKOFX-FVROTGDOSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@H]1CCC[C@@H]1C(C)C	2255054378	UEWOASOTQYOXNV-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cc(C)c(C)c(C)c2)C1	2258239043	PLEAIGSHAVJAEH-CVEARBPZSA-N	245.410	4.993	0	10	BJAE	
CCC1CCC(N)(CC2CC3(CC(C)C3)C2)CC1	2259579591	BEMVOIJWOHTSLZ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@]12CCCC[C@H]1CC2	2260527726	NYHHURYTVSUADI-RDJZCZTQSA-N	246.394	4.807	0	10	BJAE	
CCC1(C)CC([C@H](N)C[C@]23CCCC[C@@H]2CC3)C1	2260604959	ODROEODWPDLKAE-VYKNEJCXSA-N	249.442	4.501	0	10	BJAE	
CC1=CCCC[C@H]1NCC1CC(CC(C)(C)C)C1	2261180850	DCPZJBHIYAKERO-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@](O)(CC)C(CC1CC1)CC1CC1	2298861990	QCBXLASVGJNCNQ-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](N)(C1CCCC1)[C@H](C)CC1CCC1	2298914949	LNKAOVLDHMNQQJ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC(=O)[C@]12CCCC[C@@H]1CC2	2300673114	DECDDEGRFVMKSQ-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H]1CCCC(C)(C)C1	2300682228	WXUSVBFWMDSOML-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCC(C)=CC[C@@]1(N)C[C@@H](C)CCC1=C(C)C	2300873004	VHBPYGJFNXPDKS-GOEBONIOSA-N	235.415	4.587	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CC1CCCCCC1	2301142972	OSIIREQUYZMXJK-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)CCCCC2CC2)C1	2302571072	GPYWIBJDJHIYBT-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](O)CCCCC2CC2)CC1	2302572266	SLOWLIOWVPSQAY-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303453703	IDURXOWTGXFPSU-GXTWGEPZSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@H](NC[C@@H](C)CC(C)(C)C)CC1	2303458973	MNDYJJGKFDICKX-SWLSCSKDSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)C[C@@](N)(CC2(C)CCCCC2)CC1	2303470944	KYOSXOIRFHCTHK-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1CC[C@H]1C(C)(C)C	2303476931	UTJVILQMFMKJBX-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)C(C)(C)C	2303580031	QOSREHVOFDRIES-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@@H]1CCC(C)=C(C)C1	2303603189	PWEKSMOCCBORRX-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)CCCC(C)C)CC1	2303603463	SVNLQRKDFUHZDL-HZPDHXFCSA-N	237.431	4.680	0	10	BJAE	
CC(C)CCC[C@@H](O)CC[C@H]1CCC(C)(C)C1	2304361614	WUQDQFXXWIEWDT-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CCNCC[C@@H]1CCC(C)(C)C1	2304406740	DQAPPDUWLCAHIY-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@](C)(F)C(C)(C)F	2307651625	FTTDAXFOTHHREK-KBPBESRZSA-N	249.389	4.541	0	10	BJAE	
CCC[C@H](CC)CC(=O)C12CCCC1CCC2	2307909088	JFTJHLIIPICXLK-HLIUYOAVSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CN)CCC[C@H](CC)C1	2307909623	VBTQEMPBJBOOJS-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
C[C@@H](C[C@]1(N)CCC[C@@H]2CC[C@@H]21)C1CCCCC1	2309520735	DMGSRGYCDRNHMX-PQEBFOHHSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1ccccc1C1CCC1	2316504012	SPLMCCHOSUMGBW-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CC(=CC[C@]1(N)CCCC12CC2)CCCC(C)C	2316520856	PYNGGCPWDYFVGM-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCNC[C@]1(CC2CCCCCC2)CC12CCC2	2316936231	AJYXGRTUAACAKI-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
c1ccc2c(C3[C@@H]4CCCCC[C@@H]34)ccnc2c1	2317362214	RZPHSJGHDRUNQQ-ZIAGYGMSSA-N	237.346	4.529	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C[C@@H]1CNc2ccccc2C1	2317998490	RPAOPPJYOQXBHF-KKUMJFAQSA-N	245.410	4.589	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C[C@H]1CNc2ccccc2C1	2317998491	RPAOPPJYOQXBHF-QLFBSQMISA-N	245.410	4.589	0	10	BJAE	
C[C@@H]1CC[C@H](CCC23CCC(CC2)CC3)N[C@@H]1C	2319033309	AGONQUIUQAFHKZ-UWEUSHKOSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](CC2(N)CCC(C3CC3)CC2)C1	2319037555	SLKRQAVOVTULGD-KTAKPFMOSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CC(C)(C)CCC2=O)CC1	2320347108	HXTFOLRJRNNPDD-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CC1([C@](C)(N)[C@@H](CC2CC2)C2CC2)CCCCC1	2320784112	MGUVQVIHWUZOFN-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)CC3CCC2CC3)C1	2321643045	UFTVZRWKKZQLNE-KXJMLMMSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cccc2ccoc12	2328198749	BCIFXHCQXZNNIC-SWLSCSKDSA-N	245.366	4.649	0	10	BJAE	
CCC[C@@H](CC)CCC[C@@H](NC)c1ccccc1	2328283338	WLJPKGXGGYEAEB-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
CCc1ccc(Nc2ccnc3ccccc23)cc1	5585335	YMMHCWJCEWTSAX-UHFFFAOYSA-N	248.329	4.541	0	10	BJAE	
CCCC(CCC)Nc1ccc(SC)cc1	19979192	STNYAOUBNUFXIU-UHFFFAOYSA-N	237.412	4.789	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@@H]1C(C)(C)C)c1ccco1	35136974	UBPLTZURMZMLER-IHRRRGAJSA-N	249.398	4.535	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)c1ccc(C)c(C)c1	35572842	SHVQPIGYIXWGRD-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
Cc1ccc(NC2CCCCCCC2)c(C)c1O	37130339	GESHCVPJLDEQAT-UHFFFAOYSA-N	247.382	4.534	0	10	BJAE	
CC(C)c1ccccc1Nc1ccccc1	39392018	KXQBIWBOBYLPTE-UHFFFAOYSA-N	211.308	4.554	0	10	BJAE	
Cc1cc(C)c(NCC2CCCC2)c(Cl)c1	41279600	JIRBVGDPHDEUHA-UHFFFAOYSA-N	237.774	4.559	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)c1ccccc1Cl	50399682	ZZDLDLBVVJWMMI-NWDGAFQWSA-N	239.790	4.569	0	10	BJAE	
CCC[C@@](C)(CCC(C)(C)C)CNC(C)C	71127774	NQKGLCUISPBXLI-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCCCC1CCC(CO)(CCCC)CC1	85036275	ZVFOJALSIUZXMG-UHFFFAOYSA-N	226.404	4.536	0	10	BJAE	
CC1(C)C=C[C@]23CCC[C@](C)(CC[C@@H]12)C3	85491051	MKZIRHIVARSBHI-CFVMTHIKSA-N	204.357	4.559	0	10	BJAE	biogenic,in-vitro
CCCC[C@@H](NC(C)C)c1cc(C)cc(C)c1	93074091	YTMVAKOJFFAGAL-MRXNPFEDSA-N	233.399	4.533	0	10	BJAE	
CC/C=C\[C@H](C)Cc1c(F)cccc1Cl	107504979	KNZXTPDDNPHNAR-OAQKJQOQSA-N	226.722	4.624	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCCC)c1ccco1	110226576	DXHZKVTZUWSUGK-ZFWWWQNUSA-N	237.387	4.537	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](CC)c1ccc(C)cc1	111664446	JQTSYAZTPSHUKL-WMLDXEAASA-N	247.426	4.860	0	10	BJAE	
CCCN[C@@H](c1csc(C)c1)[C@H](C)CCC	129481830	SCJBUYRHZGKVMC-BXUZGUMPSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@H](N)c1ccccc1C1CCC1	132627309	WLUMRLCBICIOJU-KRWDZBQOSA-N	245.410	4.924	0	10	BJAE	
CCCCC[C@](C)(O)c1ccc(C(C)(C)C)cc1	132820276	NGGDKFQDEPGYHT-KRWDZBQOSA-N	248.410	4.772	0	10	BJAE	
C[C@H]1CC[C@@H](N)c2cc(C3CCCCC3)ccc21	136910659	ULCYGFNEFSYDCU-YVEFUNNKSA-N	243.394	4.631	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)(C)C)C1CCCCC1	167014176	CYTCHBGEFYVRLZ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](O)C1CCCCCC1)c1ccccc1	167634252	UWOFWHDXHYXWTP-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)C[C@@H](C)CC[C@@H]1C	221773182	CVAKCHBNBUTKJR-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
C1CCC2(CC1)CC[C@@H]2NCCCC1CCCC1	225240004	WYDSZDKHFXUBMA-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCC[C@@H](C)C1)C(C)C	227180223	UGSKTKGNWYHIMT-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](c2ccccc2)C(C)C)C1	227191093	HELZTMIRWQTEAE-PVAVHDDUSA-N	245.410	4.552	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](O)(C2CCCCC2)C1	230784150	MMWRDHHARWZHIT-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(Oc2cccc(C)c2C)CC1	232899286	WADLAGZKMFLJNH-UHFFFAOYSA-N	232.367	4.651	0	10	BJAE	
CCCc1ccc(C(=O)C2(C)CCCCC2)cc1	233381095	UTFRYPOGFYGNSB-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C2(C)CCCCC2)C1	233931888	AEZXWKDKJRRMJT-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@H]3CC[C@@H](C)C3)c2c1	235377651	BHVSETUSDPPFKA-MFKMUULPSA-N	227.351	4.688	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCCCC1	250838897	LLFPQGGXRLORPU-HJWJTTGWSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H]1C[C@H](CCC)CC[C@H]1CNCC	251399759	VMFFNMSWSRPOCQ-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCCCCC(C)(C)C)C1CC1	302251427	CBGCYXODPWINNL-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@H](N)CC1CCCCCC1	302330874	SLXGXPWPRWWOMP-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(F)ccc1NCC1CCCCCCC1	302351491	WODJKNUHZUFDOH-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
C[C@H]1C[C@](N)(CCC2CCCCC2)CC[C@H]1C	305897443	PWWSMSHVXDCWSM-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc([C@@H](C)Nc2cccc(C)c2F)c1	305960216	IUMKHSVWAHNYOJ-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
C/C=C\CP(C(C)(C)C)C(C)(C)C	308207639	UOOODANZONJOKI-HJWRWDBZSA-N	200.306	4.641	0	10	BJAE	
CC(C)c1cccc(NC[C@H](C)C(C)C)c1	309841567	PTRYCXRHVVCTGX-ZDUSSCGKSA-N	219.372	4.514	0	10	BJAE	
CCc1ccccc1N[C@@H]1C=CCCCCC1	310063958	OBSOVCQARWEBIL-OAHLLOKOSA-N	229.367	4.550	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2cccc(C)c2F)C1	310718259	PDQQCOXLPHECNY-FZMZJTMJSA-N	247.357	4.538	0	10	BJAE	
CCC(CC)[C@H](N[C@@H]1CC[C@H]1C)c1ccccc1	310947953	QDMWHSHVJQEVSO-XYPHTWIQSA-N	245.410	4.552	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1C[C@H](C)c2ccccc21	311028690	DOVNRBFGHLGZQJ-GRDNDAEWSA-N	245.410	4.649	0	10	BJAE	
Cc1cccc(NC[C@H](C)C2CCCCC2)c1C	311240575	YXBISONMMAWXAE-AWEZNQCLSA-N	245.410	4.932	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1csc2ccccc12	318909821	SGNVOSIMMTWYLG-FIXISWKDSA-N	248.391	4.617	0	10	BJAE	
CCC[C@@H](Nc1cccc(F)c1C)C1CCC1	322308954	XOPZTXSJVQRPOP-OAHLLOKOSA-N	235.346	4.515	0	10	BJAE	
Cc1cn(CC/C=C\c2ccccc2)c(C)c1C	323686397	IDVRDYSXXIVGLD-XFFZJAGNSA-N	239.362	4.517	0	10	BJAE	
CC[C@H](C)c1csc(CC2CCCCC2)n1	379117800	YZUDCFDWVOLGKL-NSHDSACASA-N	237.412	4.779	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1CCC[C@H](C)C1	379973353	NMXUGXNLNYSYKX-WFASDCNBSA-N	232.367	4.509	0	10	BJAE	
CC[C@H](CNC(C)(C)C)C[C@H]1CCC[C@H](C)C1	383895520	MQCRSDHLXFEGPY-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C)CC(C)(C)C[C@@H](C)C1CCCCC1	383992096	LSLRHRYOHVLSJZ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)CC(C)(C)C)cc1C	384423144	APODOHBIJANMDA-CABCVRRESA-N	247.426	4.779	0	10	BJAE	
C[C@@H](CC(=O)C[C@H](C)C(C)(C)C)c1ccccc1	384854319	GGJUVVAHWFNWLN-KBPBESRZSA-N	246.394	4.822	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](CCC2=CCCCC2)C1	384885091	WAXKIEBWDSITCJ-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)CCC(C)(C)C	386040854	ARMSCGHFYXPUIU-KBPBESRZSA-N	227.436	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@H](/C=C(\C)CNC(C)(C)C)C1	394533114	ZWQXKHPEFMXKBJ-RTZSPXFWSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CCCCCC(C)C	394855127	HZVQENVLNXFFEZ-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
CCc1ccc([C@H](C)N[C@@H](C)CC(C)(C)C)cc1	395021559	NENDTKLZYVGYHB-KBPBESRZSA-N	247.426	4.724	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1N[C@H]1CC12CCCCC2	395674360	OLXPCVJDHJKXBX-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc2scc(F)c2c1C(F)(F)F	396303962	UVQJKEMQOHHAJZ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCCc1ccccc1[C@H](NC)[C@H](C)C(C)(C)C	399081286	XIZRACWXLDMXFJ-XJKSGUPXSA-N	247.426	4.582	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CC=CCC2)CCC[C@H]1C	402205565	KQKATZKBQXDZQH-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@H]1CC=CCC1	402355262	VZGUJZXDVAFFMX-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CCN[C@@H](C)c1cc(C)cc(C)c1	686312413	LRANTQOKBCDBBE-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(c2cccc(C(C)C)c2)C1	688920531	KEDUECLQRRHEPJ-YOEHRIQHSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CC1CCCCC1	697758806	GAEYESLLEJJMEL-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)c1ccc(OCC2C[C@H]3C[C@@H]3C2)cc1	698031635	JZRRKLCDHYQMCB-RCBQFDQVSA-N	244.378	4.625	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)(C)C)C(C)(CC)CC	701231840	NOMARCLSBCLLBP-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CSc1cccc(N[C@H]2CCC23CCCC3)c1	703654538	QMXKNAKKCGRYGK-AWEZNQCLSA-N	247.407	4.543	0	10	BJAE	
CC(C)CCCCN[C@@H](C)CCCC(C)C	703981369	ZZGSNHVHRJXFHJ-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(C)c([C@H](N)[C@H](C)CC(C)(C)C)c(C)c1	704726650	CABUCPKZFGDXOH-GDBMZVCRSA-N	247.426	4.684	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1ccccc1C1CCC1	709237388	RTGXGQFKWBVOMI-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCCCCCC(=O)CC(C)(C)CC(F)F	710597235	VECWJZPETXJKQV-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CC[C@H](CC(=O)CCC=C(C)C)C(C)(C)C	711118917	KEHHFYKGGIIKOC-CYBMUJFWSA-N	224.388	4.764	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(N)C[C@@H](C)CC(C)(C)C1	713147246	GNSIXOZRUDGXRW-XJKSGUPXSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](CC(C)(C)CC)C1	713157751	CGERNHLWWQQNJS-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)CC(=O)CC1CCCCCC1	713368736	LBVCZCLGFRTFHB-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C=C/C=C/CCC(=O)c1ccccc1C(C)(C)C	713678001	LKZDCAGFVBYUNR-VOTSOKGWSA-N	242.362	4.689	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CC[C@@H]2C[C@H]2C1	718519638	GERUKZZVDHKPKJ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C(C)C)[C@H](CC)CC1CCCCC1	720428559	YJSLWBPXKCWNHO-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)NC[C@@H]1CCC=CCCC1	1653229832	CFJAUZUFUFGQRE-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCCC[C@H]1CSc1ccccc1	1656053275	BZVWIYCZRHWFBD-STQMWFEESA-N	220.381	4.605	0	10	BJAE	
CCC(C)=CCc1cc(C(F)F)cs1	1887877069	CWVMTBIMRAFQNE-UHFFFAOYSA-N	216.296	4.585	0	10	BJAE	
C[C@H]1[C@@H](CC=Cc2ccccc2)CC1(C)C	1901826430	PIQJDFZZWIBABR-ZFWWWQNUSA-N	214.352	4.772	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@H](CC)CCC	1905291492	DUFUXAGCAWPJJS-HUUCEWRRSA-N	227.436	4.713	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)[C@H](C)C(C)C)CC1	1909710515	HHMYGRYFLQUKGT-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CCC)C(CC)CC	1910744663	WFYJDCLRXNJLEQ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1C[C@H]1C1CCCC1	1910810482	XVNUQEFYHYHUNS-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1C[C@H]1C(C)(C)C	1910818698	XXDQSDVIPUYARV-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C1(C)CCCCC1	1912073105	FEFRPJYHEFZMBC-MRXNPFEDSA-N	249.442	4.847	0	10	BJAE	
Clc1cccc(-c2cc3ccccc3s2)n1	1912221073	KVRHRLSIZRCTOH-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CC(C)CC[C@H](C)C1(N)CC2(CCCCC2)C1	1912708382	NHPDLPXNHVJITE-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCCCc1ccc(N[C@H](C)C2(F)CC2)cc1	1922380591	ZBNLXSYJRXFWEH-CYBMUJFWSA-N	249.373	4.722	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCCC1)[C@H](C)C1CC1	1925893303	VZIUBWDLQGDYAG-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc([C@H](C)NCCC(CC)CC)cc1	1926176328	MPCHUQWVKWWMAM-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
C[C@H]1CCC[C@](O)(CCCCCC2CC2)CC1	1941575504	NQBIYEWTUKJPQT-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@@]1(CCCCCC2CC2)CCCN1	1941587119	PKXHEYXXJSKUEF-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CC1CCC=CCC1	1941794397	UMRQFIDQMIYLNJ-HOTGVXAUSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)(CC)CNCC1(C)CC(C)(C)C1	1942070562	RZCMHKWXWLDJCM-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C[C@@H](N)[C@H](C)CCC(C)C)C(C)(C)C	1942658061	OSYFYWFEZFSQNW-RBSFLKMASA-N	241.463	4.848	0	10	BJAE	
CC(C)CCCCCNC[C@]1(C)C=CCCC1	1943141085	XMNMGOLLFUMXSP-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C[C@H](C[C@H](O)C(C)(C)C1CCCC1)C(C)(C)C	1944611583	XAPFWVZKXFHKBC-OCCSQVGLSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1cccc2sccc12	1945956285	FPDTWPGDEUTWRK-IAQYHMDHSA-N	247.407	4.583	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CC[C@H]2CCCC[C@H]21	1946371769	YGOVSBAGOTUJBM-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1C=CCCC1	1947551501	GPBCPIJZBHHKFZ-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)[C@@H](C)CC(C)C)c1	1948325081	DYDUPAIRSFGQIR-GJZGRUSLSA-N	233.399	4.786	0	10	BJAE	
CC(C)CCC[C@@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948586984	PNWZHCXBAFBZHZ-ARFHVFGLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@](N)(CC)CC1CCCCC1	1949029797	KYNQLYTWLGYGBH-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)[C@H]1CCC[C@H](C)CC1	1950916640	JMTNKVPKRNXBMJ-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCCN(Cc1ccccc1C(C)(C)C)C(C)C	1964546368	VSMXJFWYEDMZNN-UHFFFAOYSA-N	247.426	4.605	0	10	BJAE	
Cc1c(F)cccc1NC1CC(C)(C)C(C)(C)C1	1968647119	BEGHNLNIBPRDEU-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1CCC[C@H](CC)CC1	1976343050	SEWYQURBCAFCTJ-GXTWGEPZSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CCC)c1csc(C(F)F)c1	1978577815	MMQOLIPIUIVUJR-JTQLQIEISA-N	247.354	4.527	0	10	BJAE	
C1=C[C@@H](C[C@H]2[C@H]3CCCCC[C@H]32)CCCC1	1980111177	ZZLXPAKKQJOFEF-LVQVYYBASA-N	218.384	4.949	0	10	BJAE	
CN[C@@H](CCCC(C)=C(C)C)c1cccs1	1980693527	XTEYPXNFRUBWFX-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cc(C(F)F)cs1	1983693334	GTALFXGTTZYFJH-WCBMZHEXSA-N	248.338	4.545	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(Cl)cc1F	1989823609	HTANBCOKYYSSSZ-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@](C)(N)C2(C)CCCCC2)C1	1996262951	IATADDYPJPGTHB-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1csc2ccccc12	1996611299	QUDVTPQOZUBRCT-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CC(C)C[C@H]1CC[C@]1(N)CC1(C)CCCCC1	1998743804	RRVSFLJKRDXYQC-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]([C@H]1CCCC(C)(C)C1)C(C)(C)CC	2000038328	OPJOOGSGWQYNLQ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CCC2CCCC2)C1	2000182996	WBQHMCLNLNLTFJ-DOMZBBRYSA-N	234.383	4.518	0	10	BJAE	
Cc1ccc2c(Cl)c3c(nc2c1C)[C@@H](C)CC3	2002852707	IEDKJQCEZMYSPT-VIFPVBQESA-N	245.753	4.555	0	10	BJAE	
CC1CCC(C2(N)CCCCCCCC2)CC1	2003098370	KDJVCQYTSSNZKP-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1CCCCCCC[C@@H]1O	2003115748	CZPPRVIZCTXODT-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@@H]([C@@H]2CCCCCCC2=O)CC[C@H]1C	2003116509	JEZHMAVHSZGRHU-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)CC2(C)CCCC2)C1	2003184075	GLHQZPOSOGZBAB-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1CCCC2(CC2)C1	2003191859	QMQOPWUINQKYTQ-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@H]1CCCC2(CC2)C1	2003196134	AZKPHEKFMLENBJ-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC[C@H]1CCCC2(CC2)C1)NCC	2003219115	WPOFNULKWLSTFW-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H]1CCC2(CC2)C1	2003219531	ZNLTYTSIKSHLRA-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)C[C@H](C)C(F)F	2008579302	FEQVSRZRLNGHAT-JSGCOSHPSA-N	249.389	4.602	0	10	BJAE	
CC=CCCCC1(CNC)CCC(C)(C)CC1	2009616749	LRXZNNJHTPOBDD-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](CC1=CC[C@@H](CC)CC1)NCC	2010769776	TZWOUJFBXGFYTR-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(CC)CN(C)C[C@@H](C)CC(C)(C)C	2011177592	IHDRKADIIRMRNJ-AWEZNQCLSA-N	241.463	4.817	0	10	BJAE	
CC[C@H]1CC[C@@H](N[C@H](CC)CCC(C)C)[C@@H]1C	2013262213	AKDINTDVIWTTHH-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cccc(F)c1C	2013264675	OYYKEDJKRXKADV-ZDUSSCGKSA-N	237.362	4.761	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CCC(C)(C)C1CC1	2013313096	YPDVEZCFSCONQG-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CCCC(C)(C)CNC1CC(CC(C)(C)C)C1	2014652818	PXWFGDQWVHNJRY-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](C[C@@H](C)C(C)C)NC	2015278272	MQVYSPSLRAFZLG-OAGGEKHMSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CC1(CC)CCC1	2015596653	SSJZBFCFFDHGSY-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC1(C[C@H](O)C[C@H]2CC[C@H](C)CC2)CCCC1	2017718597	CYANCCGORJLONE-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1CC[C@H](C)CC1	2017768297	QGXJYTZMCRAMCI-RBSFLKMASA-N	238.415	4.988	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H](CC(C)C)C(C)C)CC1	2018973463	CQCBXAJIGVZZEQ-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H]1CC[C@@H]1CC(C)C	2019373793	DACCZXKALJITKW-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](C)CN(CC)C[C@H]1CC[C@H](CC)CC1	2019479513	CHMOROJLBICDNR-BZUAXINKSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CCC[C@@H](C2=CCCCCCC2)C1=O	2020400025	YVDXFCNIDAJZRE-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCCN(C1CCCCCC1)[C@H](C)C(C)C	2020506910	YFQJMLBCYWYDCJ-OAHLLOKOSA-N	239.447	4.856	0	10	BJAE	
CC(C)c1cc2cccc(C3CC3)c2nc1Cl	2021028875	YNUGJAJVXVYTQL-UHFFFAOYSA-N	245.753	4.889	0	10	BJAE	
Cc1cc(-c2ccc(N)c(C)c2C)ccc1Cl	2022743814	XGSRCBNZGHBYHM-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@H]1CCC[C@H](C)C1	2026148394	WVFQTDQVPRUEAJ-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)Cc1ccccc1C(C)C	2027509219	JZXLBYHMUDPENX-CQSZACIVSA-N	246.394	4.604	0	10	BJAE	
C[C@H]1CC([C@@](C)(F)c2cccc(N)c2)C[C@H](C)C1	2027938595	FFHAPUYSGZKRNI-HSMVNMDESA-N	249.373	4.526	0	10	BJAE	
CCN[C@@H](c1cc(C)ccc1C)[C@H](CC)C(C)C	2028250730	AANXKHJRUTWTKB-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)[C@@H](CC(C)C)C(C)C)c1	2028261330	GYYWNTLZKXQIBK-RDJZCZTQSA-N	247.426	4.622	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@]1(C)C=CCCC1	2030354018	LGQKXPSHXPIPEX-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)[C@@H]1[C@@H](C3)C1(C)C	2032440833	QEKQZPYIPFCSOX-WBMJQRKESA-N	239.362	4.587	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC1(CNC(C)(C)C)CC=CC1	2032505416	IBDYICQXUFFTFG-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CCCC=Cc1ccccc1)NC	2036500511	VZMZEQMCYLOTCN-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@H]2CCCC[C@@H]2C)c1	2037143302	QQEVJRQCGWGDQO-RRQGHBQHSA-N	245.410	4.636	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@H]1C[C@H]2C=C[C@H]1CC2	2037159908	VGWXLTDYJCQUIW-VIQHNZTISA-N	249.442	4.523	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(N)CC[C@H]2CCCC[C@@H]21	2037176070	PHSZNSLTGFIALJ-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(CN)(CC2CC3(CCC3)C2)CC1	2038081967	YTPORCHVXCBOCC-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C2=CCCCCCC2)CC1	2039373946	JQQHHPJXQUZRFR-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
CC(C)(CC[C@H](N)CC12CCC(CC1)C2)C1CC1	2039414451	BKTIOODBZGXIAJ-GULBITTBSA-N	249.442	4.501	0	10	BJAE	
CCC1(C(=O)CC(C)(C)c2ccccc2)CCC1	2039724018	HSFKGQAHKOZHGD-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)[C@H]1CCCC2(CCC2)C1	2041300927	SFGDWVKLTOBELC-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)C[C@@H]1CCC=CCCC1	2045314798	NNAGDKCFIKUTKB-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CN[C@@H](C[C@H]1CCC=CCCC1)C1(C(C)C)CC1	2045327026	SFDNFXBIHMDPFT-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccc(CC(C)C)cc1	2045585941	SPURPPBIWPOGQT-AWEZNQCLSA-N	246.394	4.894	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H]1CCCC[C@@H]1CC	2045795799	BLTMDBWPYCRLNN-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC[C@@](C)(CNC1CC1)C[C@@H]1CC12CCCCC2	2047012982	SAWKXYJFDUMTHT-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)C[C@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048436456	RUZMYKAXAHMHCH-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCC1(NCC2[C@@H]3CCCCC[C@@H]23)CCCC1	2048452270	BPCQFMQYDOZTBH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCC12CCC2)[C@@H]1CCCC(C)(C)C1	2049531740	GCJLTSRBRHOSTA-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@@H]3CCCC[C@H]32)CCC1	2049681066	KGKUMBSSQLLBSD-USXIJHARSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@@H](Oc2cccc3c2CCC3)C1	2050415670	NLXWDENHGPVGFY-CQSZACIVSA-N	244.378	4.523	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCCC(C)(C)C1CC1	2050456679	TXOLVHUPLOPDPK-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC1(C)CCCC[C@@H]1CNC[C@@H]1C=CCCCC1	2053394905	UDQJUSNRKUWRPN-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
Cc1c(Cl)cc(C(F)F)cc1C(F)(F)F	2054881561	BHDAJWPZFUWYAM-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
Cc1c(C(F)F)ccc(Cl)c1C(F)(F)F	2054883262	SHDSCBXSOZMARW-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(C=C2CCCCC2)C1	2056918903	DUKKEUBWFZFKMJ-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC1(C(=O)C2CC(C3CCC3)C2)CCCCCC1	2057498942	XJKIBFPUZVLXGM-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1NCC[C@@]12CCCC1(CCCCC1)C2	2058476500	WYUKFLMBTNJKBX-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
C/C=C/CCCC[C@@H](NCC)c1ccccc1F	2059246826	IGBWYKCDIGGYQI-LLCTXKFZSA-N	249.373	4.613	0	10	BJAE	
CCCC1CC(N[C@@H](C)c2cc(C)cc(C)c2)C1	2059491608	BSKWEVMLUASHJN-UQPPLGOBSA-N	245.410	4.533	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](CC)CC1)C1CCCC1	2061098912	LVPFRKUJVXELND-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@](C)(N)C2CCCC2)CC1	2061120289	WKCZRARIUKCJFX-GUYCJALGSA-N	249.442	4.667	0	10	BJAE	
CN[C@H]1C[C@H](CCC2CCCC2)CC2(CCC2)C1	2063641431	NLVUYBSVBRHPLF-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC(C)(C)C1)c1occc1C	2063677298	GVSWHKDDBCUUHH-ZIAGYGMSSA-N	249.398	4.598	0	10	BJAE	
CCC1(C[C@@]2(N)C(C)(C)[C@H]3CC[C@@]2(C)C3)CCC1	2069278059	DPQAWCXNFUNWLP-JLJPHGGASA-N	249.442	4.501	0	10	BJAE	
CCC1(CC(=O)c2ccccc2C(C)(C)C)CC1	2074595248	RFYPPWXUORTVDW-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CC(C)CC[C@H](C)N1CCCCc2ccccc21	2075232535	BOEISLCRWTWFGB-HNNXBMFYSA-N	245.410	4.654	0	10	BJAE	
O[C@@]1(CCC2=CCCCC2)C[C@@H]2CCCC[C@@H]2C1	2075719915	DYJATYHURNSFRE-BJWYYQGGSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@H]1C[C@@H]1C(C)C	2079430748	GOHNANLATQMWFG-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2079486918	PJGYYHVKEKRDOU-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@@H]2C[C@H]2C2CCCCC2)C1	2079843603	RMZMALPGMMTKMQ-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2C[C@H]2C(C)C)cc1	2080024387	BMYSZEYEMWMHFF-QRTARXTBSA-N	245.410	4.904	0	10	BJAE	
CCc1ccccc1[C@@H](C)NCCC(C)(C)CC	2081209056	LUDFEVRLZHCAEH-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
CCc1cc(F)ccc1NCCC1CCCCC1	2081946415	HCONMZAQYSSHQD-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CC2CC(C)(C)C2)c1	2082952238	ZZDMFRGAYDTFCD-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CCC1(C(=O)c2ccc(C)c(C)c2F)CCCC1	2083351379	IPSCEQISRHRDMW-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCCC[C@@H](NCCC)C1C2(CCC2)C12CCC2	2083562368	JCEQCVIXFKPCTF-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N[C@H]2CCC23CCCCC3)C1	2085242055	AKPKDCQGMZAYHC-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CCC(C)(C)CC)CN[C@H](C)CC	2212588688	NAVQZVMRTSKMSX-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](O)CCCCCCC1CC1	2213575719	ILOGYNRLRQKMKS-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC1=CCC[C@@]1(N)CCCCCCC1CC1	2213580376	YZYHRPOWNWVTAE-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CC[C@@H]1C)NCCC	2214964972	ROMRSGPNAVTTKW-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1cccc(C(C)C)c1	2215314877	VGXDAVZBSOBQFR-ZFWWWQNUSA-N	231.383	4.658	0	10	BJAE	
CC[C@H](C)NCC(C)(C)C[C@@H]1CCC[C@@H](C)C1	2217146016	VLBUYIKUWHFNOJ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1([C@H](C)[C@@H](C)CC)CCCC1	2217151682	XTSONTFOSFNISO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CC[C@@H]1C1CCC1	2218720544	JWWGTYXWWGAPCO-IAGOWNOFSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(C)c1CCC=Cc1ccccc1	2219077459	CPRZRVIEPRRNDZ-UHFFFAOYSA-N	236.358	4.949	0	10	BJAE	
CC(C)(C)NCC1(CCCCC2CC2)CC=CC1	2220030268	KLNLACOKXMOBFL-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC([C@@H](N)CC2(C)CC3(CCC3)C2)C1	2221013350	JFLABCWABNUTHU-SLTAFYQDSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCCC1CC1)CC1(C)CC2(CCC2)C1	2221026770	ZFPBGSKBZCKFPC-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1([C@@H]2CCC2(C)C)CC=C(C)CC1	2221666736	JFIGOBNTYYDBDZ-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H]([C@H](C)c1ccc(C)cc1)C(C)(C)C	2223963664	KXWUEFIPBPWBLR-ZBFHGGJFSA-N	247.426	4.513	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CC[C@@H]1CC1(C)C)N2	2224120058	HSLMJGJWFKOGRA-HUUCEWRRSA-N	243.394	4.548	0	10	BJAE	
CCCCCCSCc1cnc(Cl)s1	2242464054	YTADNEBWBIFLBI-UHFFFAOYSA-N	249.832	4.610	0	10	BJAE	
CCC[C@H](CC)Nc1cc(C)c(C)c(C)c1	2244259715	KVDQZHDEQZEISN-AWEZNQCLSA-N	219.372	4.602	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CC1(C)CC(C)C1	2246584940	LGGGVBGVAGAXHN-PYBGIAKNSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCC2(O)CCCCC2)C1	2246729445	BVXHBRWJRQNENE-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@](C)(N)CC1CCCC1	2247165918	NUFOVOKOGUKMAO-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC1=CCCCC1	2247527189	GWORALBSZRIMBM-MRXNPFEDSA-N	237.431	4.778	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CCCCC[C@H]1C[C@@H]1C	2248870344	LSPYNZZNVJXUJS-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CCCCC[C@@H]2C[C@@H]2C)C1	2248879243	LSDYJHNEISLRJJ-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)[C@@H]1CCC(C)(C)C1	2250363770	BPQDEHBLFBZHSI-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C(CN)C(C)(C)C	2250479088	PSWOHCJGIWDEHE-CQSZACIVSA-N	239.447	4.770	0	10	BJAE	
CCC1(C[C@H]2C(=O)C(C)(C)CCC2(C)C)CC1	2251724077	MUMMUNHFHZFHFX-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC1CC(CCC(=O)CCCCCC2CC2)C1	2251760268	ATZIGEGBVISIMX-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
NC1(CC[C@H]2CCCCC23CC3)CCCCCC1	2253811211	RNDNUZMXQOURGC-OAHLLOKOSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N1CC[C@H]1CCCCC12CC2	2253862803	JWAJZWVJDQXMAO-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC[C@@H]2CCCCC23CC3)C1	2253880062	HPEVWFMLJGOEHE-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H]1CCC[C@H]1CC1CC2(CCCC2)C1	2254112260	JDCKQZPCJNJDAS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN(C)CC2=CCCCC2)C1	2255135996	IZZIUZDGMUKBSV-HZPDHXFCSA-N	249.442	4.635	0	10	BJAE	
CN[C@@H](CC[C@H]1CCCC12CC2)C1(C)CCCC1	2255290817	JTPUSSGOROFWPA-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C[C@@H]2CCCC23CC3)C1	2255325227	FLWCAANERUXJCB-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
Cc1cc(NCCCCC[C@H]2C[C@@H]2C)ccc1F	2257324037	NSGVIIURKAMDOO-JSGCOSHPSA-N	249.373	4.762	0	10	BJAE	
N[C@H]1C[C@@H]2CCC[C@H](C1)[C@H]2CCC1CCCCC1	2258022883	DTZHNUISXGGGNF-DSPLQEQRSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1cc(C2CC2)ccc1F	2259126237	MBEAVTIJSUCPNV-XHDPSFHLSA-N	247.357	4.694	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cccc2c1CCCC2	2259441182	JONHLKFBISMPAT-CYBMUJFWSA-N	244.378	4.574	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@]12CCCC[C@@H]1CC2	2260561868	ONVVLKYYJRSDPU-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@@]23CCC[C@H]2CC3)CC1	2260612886	QPJUIEQJVRDDMN-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](O)c1cccc(C2CCCC2)c1	2260662261	IODNTXSQTRMHBU-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CCC(CC)N[C@H](c1ccccc1)C1CCCC1	2263739624	PBPNSPZYJGRCEC-QGZVFWFLSA-N	245.410	4.696	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H](C)C1(C)CC1	2300466530	RLRXOKZDZRFEFD-ZDUSSCGKSA-N	231.383	4.719	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CC1CCCCCC1	2301134829	CQYRSCKJFNEXFG-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@@](O)(CC1CCCCCC1)[C@@H]1CC1(C)C	2301211559	SONUQMITUXWGFK-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H](C)[C@H](C)C(C)C	2301703955	JFIJSZBYGJAXQT-CVEARBPZSA-N	241.463	4.815	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N(C)CC1CCCCCC1	2301706662	HGIKYMCUCQSZEL-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)NCCC1(C)CCCCC1	2301834758	ASUFFXXNZUXWQP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H](C)[C@H](C)C(C)C	2301838933	GCGSDCPZBPIKBD-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CC=C(CC)[C@@H](CCC1=CCCCC1)NCC	2301901880	GENCBDADQOHKDD-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)CCC1=CCCCC1	2301921781	RNGCKXROVGHDIU-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CC1(C)CC[C@@H](c2nc(CCC3CC3)cs2)C1	2302269350	XUYGKVMBPGMQGR-GFCCVEGCSA-N	249.423	4.779	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CCCC1=CCCCC1	2302321903	BVGKZUREIWGCMK-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@](C)(O)CCCC1=CCCCC1	2302326453	PKNKUWRJEMZAEI-MRXNPFEDSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCCCC1=CCCCC1	2302331138	JDVRAROFPANNKQ-GJZGRUSLSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)NCC(C)(C)C[C@H]1CCC(C)(C)C1	2302879091	XCGCKDFXTAFIRJ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@](C)(N)[C@@H](C)C(C)C)CC1	2303515471	ICGJPNXGCNISFA-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
C[C@H](CCCC1=CCCCC1)C[C@@H]1CCOC1	2307593892	UVTGWLAXZSHQCV-ZBFHGGJFSA-N	236.399	4.720	0	10	BJAE	
CCC[C@@H](CC)CCC(=O)c1ccc(F)cc1	2307748376	YQDLNIZJZZALEV-GFCCVEGCSA-N	236.330	4.615	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2C[C@@H]3CC[C@H]2C3)cc1	2308575630	WSWPPJOZVFRJDP-LGWLGOQQSA-N	243.394	4.801	0	10	BJAE	
CCc1cc([C@@H](O)CC2CCCCC2)ccc1C	2314711039	JDFHOKDQMDJTIK-KRWDZBQOSA-N	246.394	4.561	0	10	BJAE	
CCC(CC)CC[C@H](CNC)c1ccccc1C	2316241424	TYZVGEQDSAUQJX-MRXNPFEDSA-N	247.426	4.514	0	10	BJAE	
CC(=CCN1C[C@@H]2CCCC[C@@H]21)CCCC(C)C	2316512932	LODPMFKLYJPXIY-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
CC(C)C[C@H]1CNCCC1=CC1CCCCCC1	2316868812	BCNHWEQEWXIFFG-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)C1(C)CCC1	2318589941	VXSZQWKZHOFRQQ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNC[C@@H]1CCC=CCCC1	2318761179	YBIGJIQPVBPLLG-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
O=C(CCCCC1CC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2318877089	QCQSMDNVPLSIKC-FVQHAEBGSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2[C@@H](C)CCC[C@H]2C)CC1	2320268996	WAGBRVYBSAZVPS-WTTBNOFXSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CCC(C)=C(C)C2)C1	2320339749	GXHABJFWGNGRGJ-IXDOHACOSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2320425748	ZZFMJJARQYGOBR-FPCVCCKLSA-N	246.394	4.518	0	10	BJAE	
CCc1ccc(N[C@@H](CC2CC2)C2CC2)cc1C	2320617104	RIYVJNJBZXOREC-KRWDZBQOSA-N	243.394	4.548	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCCCC2(C)C)c1	2321083685	TXHSZBVUECYSHJ-OAHLLOKOSA-N	249.373	4.769	0	10	BJAE	
Cc1ccc(-c2csc3ccccc23)cc1	15778617	MIOIRTCEDNSSTG-UHFFFAOYSA-N	224.328	4.877	0	10	BJAE	
CC(C)Cc1ccc([C@@H](C)N[C@H](C)C(C)C)cc1	20523026	WYNLUZFFWVAPJR-HUUCEWRRSA-N	247.426	4.580	0	10	BJAE	
CCCC[C@H](NCCC)c1c(C)cc(C)cc1C	35582079	ZKWXHALHFIALMM-INIZCTEOSA-N	247.426	4.843	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@@H]1C(C)(C)C)C(C)C	37271883	XTCBMOMMTCNURE-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)c1cccs1	53816417	KBTHOKOJEFXRQJ-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
Cc1nc(S)sc1-c1ccc(C(C)C)cc1	58002569	GRVZQGOXNXESRV-UHFFFAOYSA-N	249.404	4.531	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCC[C@@H]1CC	68986500	CCUYJIMNPWGLPC-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1cc(C)ccc1C	70977689	XJSIZSQSONYMII-GJZGRUSLSA-N	231.383	4.684	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCC[C@@H](C2CC2)C1	81624168	MNCLISXGMULYOR-HIFRSBDPSA-N	247.357	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2cccc(Cl)c2)[C@@H]1C	82857286	NCPWXCDYIKTKJQ-JTNHKYCSSA-N	237.774	4.577	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@H](C)[C@H](C)C2)c(C)c1	84986912	PWJQBCFMLJMDGA-WOSRLPQWSA-N	245.410	4.848	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCC[C@@H]1C)c1ccccc1	88507122	RNBMOHIKQCIAMU-UAGQMJEPSA-N	245.410	4.696	0	10	BJAE	
C=COc1ccc(C(C)(C)CC(C)(C)C)cc1	90826961	RBSFWUAFMCMWSH-UHFFFAOYSA-N	232.367	4.923	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1cc(C)cc(F)c1	91510066	GICACWVGEXWTTL-SWLSCSKDSA-N	235.346	4.515	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1c(C)cccc1O	107493090	SKZHOIHQLIJPSG-FMFIFOJESA-N	218.340	4.551	0	10	BJAE	
C[C@@H](N[C@H]1CCC[C@@H](C2CC2)C1)C1CCCCC1	149429226	WXNWWXKIGLTYEA-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](NCC)c1cc2ccccc2s1	158302783	MKUUNEAPCYNAMN-CYBMUJFWSA-N	247.407	4.742	0	10	BJAE	
Cc1cc(C=O)ccc1-c1cccc2ccccc12	161616524	YGCYNOKOXHRJNQ-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)C1(C)CCCC1	162208883	FYAMJPQGKJKXRK-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1cc2ccccc2s1	162496883	MXEZDSXVNFUPFM-DGCLKSJQSA-N	247.407	4.598	0	10	BJAE	
CCC[C@@](C)(CCCC(C)C)CNCC(C)C	166078172	WNVBJCAFZMGTLG-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCC1(C(=O)c2cc(C)c(C)cc2C)CCCC1	166174552	BFJCVCATPXXZBR-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@H]2C(C)C)c(C)c1	214447911	XGEXBTWDDXBVGU-DOTOQJQBSA-N	245.410	4.930	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCCC[C@@H]1C(C)C	214575639	OPBGRTMMNQZFED-CJNGLKHVSA-N	249.373	4.761	0	10	BJAE	
CCCCC[C@](C)(O)CCC1CCCCC1	223305483	CLKWSLIVIRHQPJ-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)c1ccccc1	225972959	SSNVHRCZIUWHEI-GDBMZVCRSA-N	233.399	4.696	0	10	BJAE	
Cc1ccc([C@@H](O)[C@H]2CCCCC2(C)C)cc1C	226651857	CZIAZHWNTZINDV-HZPDHXFCSA-N	246.394	4.553	0	10	BJAE	
CCC[C@@H](CC[C@H]1CCC[C@@H](CC)C1)NCC	227172701	XNVGMYOTHXXXFD-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@@H]2CCC[C@@H](C)C2)c1	227827135	SJSNWBPAYUBBRM-ISTRZQFTSA-N	245.410	4.533	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C1(CC)CCCC1	229159889	VOVQZSRTYQWSBG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(C2CCCCC2)C1	230787727	ZYYUEUKEEDVRHD-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)[C@@H](C)CCC	233043691	ORRPILADHFHICM-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC1(CN[C@@H](C)c2cccc(C)c2)CCCC1	233085361	FWBMDZJTEAFKSL-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
CCC1(CN[C@H](CC(C)C)c2ccccc2)CC1	233095573	UXOGVYJRXVAUGM-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)CCCC(C)C)C1	251648358	GIBRYJTYSJDRHG-BZUAXINKSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1[C@H](O)[C@@H]2CCCCCCCCCC[C@H]12	251717947	RRZWBPBDTAGFHB-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCC(F)(F)c1ccc(C(F)(F)F)cc1	259281127	BSCMFFSGBREOBR-UHFFFAOYSA-N	238.199	4.597	0	10	BJAE	
C[C@H](CCC1CCCCC1)C(=O)c1ccccc1	302240734	DORGJCHNFRCZQD-CQSZACIVSA-N	244.378	4.866	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC(C)(C)CC2)c1F	302290373	KMZYIMBXKROTAD-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CC(=O)c1cccc(SCCC2CCCC2)c1	304123214	BJZVEVGZKRWZNH-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC(C)Cc1nc(C(C)(C)C)sc1C(C)C	304269026	CECDBFZVXOXVSP-UHFFFAOYSA-N	239.428	4.763	0	10	BJAE	
CC[C@H]1CCC[C@H](n2ccc3ccccc32)C1	304973590	YWJVBIHSLDIZIB-ZFWWWQNUSA-N	227.351	4.783	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(CCC2CCCC2)C1	305894729	BMDUCVCWCGCYER-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](NCC2CCCCCCC2)C1	305906049	FKPYNVFMHRZKSA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C[C@H](C)CC(C)C)c(C)c1	305912595	FZQUGIHRXKNXCR-WBMJQRKESA-N	247.426	4.684	0	10	BJAE	
CCC[C@@H](CC(C)C)c1nc2c(F)cccc2[nH]1	308055670	NTZNKJSAQJRRQK-NSHDSACASA-N	248.345	4.632	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@@H]2CC3CCC2CC3)C1	311180530	XMFYQSNGLZOTBX-WEIUDFCLSA-N	248.410	4.598	0	10	BJAE	
c1ccc(-c2ccc(N[C@@H]3CC[C@H]4C[C@H]43)cc2)cc1	311757785	ZZXCAUJTKLDUHK-CGTJXYLNSA-N	249.357	4.564	0	10	BJAE	
CCCCc1ccc(N[C@H](CC)[C@H]2C[C@H]2C)cc1	322223800	XUSRVJBQBJIFTA-XOKHGSTOSA-N	245.410	4.876	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2(C)CCCC2)C1	380164752	VSNFJTROJPUXHG-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(C)c(OCCCCCC(C)C)c1	383326826	YOXZSNQPERILEZ-UHFFFAOYSA-N	234.383	4.899	0	10	BJAE	
CCC[C@](C)(CNC)C[C@@H](C)C1CCCCC1	383898868	WBHDHXWAAMARIR-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCOc1cc(C)ccc1N[C@@H](C)CC(C)(C)C	384807045	UPMCLYYJKQRSKB-ZDUSSCGKSA-N	249.398	4.630	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cscc1C	387035878	PNZUFZAXRUEJBS-GFCCVEGCSA-N	225.401	4.827	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H]1C[C@@H]1CC(C)C	387958227	CVIHEPNBBNDHKW-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CNc1ccc(Cl)c(Cl)c1	394581225	YDYJRWQPAMBMGP-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
CCc1ccc(CC)c2sc(C(F)F)cc12	396167968	LVNOJDQXFKQIOH-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1sc2cc(C(F)(F)F)ccc2c1F	396291364	BPKCKBDEEUJJTI-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CC[C@H](CC)C1	402167028	SAPXTOZLKWVRSU-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](C[C@@H]2CC=CCC2)C1	402367517	ZIEWAYKMXZJFJS-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCCCCOC(=O)Nc1ccc(C(C)C)cc1	586479397	SKPCNXMORYGJOI-UHFFFAOYSA-N	249.354	4.549	0	10	BJAE	
Cc1ccc(NCC2(C(C)C)CCC2)cc1C	687276503	AFGCOAKSABSCII-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CC(C)C1CCC(N)(CCCC2CCC2)CC1	688367078	DSSSODSKDZMPNY-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](CCCC(F)F)NCCC	689056217	CGGNDFLMHHSKJW-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1cccc(C2CC2)c1	690161726	ZBPAFDFUHJUSKJ-WBMJQRKESA-N	229.367	4.555	0	10	BJAE	
C1CCC(CCCNC[C@]23CCCC[C@H]2C3)CC1	693560207	WFJSWYCVELHQKY-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CCCC(CCC)[C@H](O)CCC(C)(C)CC	696568279	REFUQLNENMEARL-CQSZACIVSA-N	228.420	4.780	0	10	BJAE	
CCc1ccc(CC)c(C(=O)CC(C)(C)CC)c1	696612806	YKGLZOWUPXTPSF-UHFFFAOYSA-N	246.394	4.820	0	10	BJAE	
CCCN[C@H](C(C)(C)CC)C(C)(CC)CC	701243418	LNJIBSNPCYSAKJ-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
O=C(CCCc1ccccc1)CCCC1CCC1	701522016	NKBRJKJPFFQXQP-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@@H]1CCCC12CC2	706215027	JUTNSGLNAPOKKA-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@]12CCCC[C@@H]1C2)C1CCC1	709249251	ROLHLTSFPRBCLC-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C[C@H]2CC[C@H](C2)C1	710869928	GZNIUECURIBNJY-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H](C)CC(C)(C)C	713233293	MMQWMYBRTVCOOL-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@]1(N)C[C@@H](C)CC[C@@H]1C(C)C	713241761	GQAMXYWJKKBEIW-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC(C)(C)C(C)C	713272681	QRJDAHGYNGQUSW-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@@]1(CC(C)(C)C)CC[C@@H](CC)C1	713316566	SPRTXBZATOPAQV-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)c1ccc(C)cc1	713736403	UZWLMDKJPGGMAP-DKRLNXSXSA-N	243.394	4.558	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H](C)C(C)(C)C	718527428	MOICVBYXDBBVTF-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CC[C@H](C)[C@]1(CNC(C)C)CCC=CCCC1	719076483	JRNHYUFCHFKIHI-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](O)(CC1CC(C)(C)C1)c1ccccc1	723552702	NYWKYKQZTCKWPX-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CC(C)=C(C)CCN[C@@H](C1CCCCC1)C1CC1	724004719	VKKXZLJIEJPUHA-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C1CCC2(CC1)CC2	829156029	NBGIHZIBZDADAN-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CSCc1cccc(Cl)c1F	1307342052	AMNQOAVPHIQYDU-UHFFFAOYSA-N	246.778	4.758	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCC[C@@H](C)CC1	1658872504	WSSVIEUGJBJDOF-BSWAZPDLSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@H](C)C[C@H](C)N)CCCC(C)C	1900850565	ZXLGCOQQHSQORY-GJZGRUSLSA-N	225.420	4.523	0	10	BJAE	
Cc1sccc1OC[C@@H]1CC[C@@H]1C(C)(C)C	1904933903	VLOIMQRBWGAKDI-RYUDHWBXSA-N	238.396	4.508	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](N)CC1CCCCCC1	1910742964	LYAQHTFHERXVNP-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@@H]1C[C@H]1C1CCCCC1	1910809213	IOPNNGFKQHGSEK-BJJXKVORSA-N	236.399	4.598	0	10	BJAE	
CC=CC[C@H](C)c1c(C)c(C)cc(C)c1C	1911814667	MWYQEPYTPRNTCM-NSHDSACASA-N	216.368	4.990	0	10	BJAE	
CCC=CC[C@H](C)c1c(F)cccc1Cl	1912058351	YYTCJEVLIKFLSH-JTQLQIEISA-N	226.722	4.939	0	10	BJAE	
CC(C)(CN[C@H]1CCC2(CCCCC2)C1)C1CC1	1915867845	UPRKKBFKNSIYTN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@@H]1C[C@H]1C=CCCC1	1916016283	WKTTXJQERCXSMD-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2CC[C@@H]3C[C@@H]3C2)cc1	1917349112	GOCIUEJIDWSGNY-MMTVNHQJSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CCC1CCCC1	1920191124	XJQMHXHDRIWANP-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@](N)(CC(C)C)c1ccccc1	1920484097	LCZULPKCVVFJJH-NVXWUHKLSA-N	247.426	4.569	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@H](C)C1CCCC1	1924100563	XQOPXWWFERJFOW-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)CCCCCC1CC1)C(C)(C)C	1936416379	CVXBYXMCCLQDLA-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC(CCC)[C@H](O)CC1CCC=CCC1	1941826692	ROLJSXMPENDYJP-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CC(C)CC[C@H](C)C(N)(CC(C)C)CC(C)C	1942658147	PEWDTPIHZAEULG-HNNXBMFYSA-N	241.463	4.848	0	10	BJAE	
CC(C)CC[C@@H](C)C1(CN)CCC(C)(C)CC1	1942659970	STWDXXKWPGYVQE-CQSZACIVSA-N	239.447	4.604	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CCC[C@H](C(C)C)C1	1942661879	XCFHJBQEYCIWNY-HRCADAONSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@](C)(O)OC[C@H](CC)CCCC	1942890195	UOOYGMORHSPTNY-HUUCEWRRSA-N	244.419	4.508	0	10	BJAE	
CC(C)C(C)(C)CC1(O)CCC2(CCC2)CC1	1944601217	BLWOMIQYSXPYKH-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC1(N)C[C@@H]2CCCCC[C@H]2C1	1947843737	WIDKKOPAEPTWAZ-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CCC[C@H](C(C)C)CC1	1949024454	LERHFWUBPPZYIV-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@H]1CC12CCCC2	1950666741	ZNDFFWINYQROQZ-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@@H]1CCC[C@@H](C)CC1	1950921624	HHNVRDGNBBQHRA-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCC=CC[C@H](C)c1cc(C)ccc1OCC	1951308868	PKBYGYMQMZYDRM-AWEZNQCLSA-N	232.367	4.854	0	10	BJAE	
C1CC[C@H]2CC(NCCCC3CCC3)C[C@@H]2CC1	1965995937	IVBXJDQZSYRAPE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)c1	1968596725	UZRSXSNGZZBZJV-YWVIFJGQSA-N	247.357	4.515	0	10	BJAE	
CC(C)[C@@H](C)N[C@@H](c1ccccc1)C1CCCC1	1969087390	RXBZZYVRTNYCPM-PBHICJAKSA-N	245.410	4.552	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1969962347	XGUKGXDBLDFZAM-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CC(C)(CN[C@H]1CCC12CCC2)C1CCCCC1	1970813516	ASKKKOCKMKZMNZ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(N[C@H](C)CCC2CC2)cc1C	1972021297	LLALTBYLTZXJQT-CYBMUJFWSA-N	231.383	4.548	0	10	BJAE	
C[C@@H](CCO)CC1CCCCCCCCC1	1984044273	TUOKDCWTCQGCED-AWEZNQCLSA-N	226.404	4.536	0	10	BJAE	
CCCCCCC(=O)CC[C@H](C)C(F)(F)F	1989292577	BOYPWJUQFQHWCD-JTQLQIEISA-N	238.293	4.505	0	10	BJAE	
CCCCCC[C@@H](NCCC)C(C)=C(C)C	1989666619	FCYDWCUWWGVMDX-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CC[C@H](C)Cc1csc(C(C)(C)C(C)C)n1	1995461794	OZLTUXTWSDYCJP-NSHDSACASA-N	239.428	4.665	0	10	BJAE	
CC(C)Sc1ccccc1N[C@H](C)[C@H]1C[C@@H]1C	1996563815	JNXAZTUTHIBDMI-XQQFMLRXSA-N	249.423	4.644	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)CC(C)(C)CC)CC1	1997208661	QBAFHXGRRDUTLK-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)C1CC=CC1	1997551303	KFBDSOCCFGFVJA-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)[C@@]1(C)CC=CCC1	1997612675	UAZXWNYMLOKUKB-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@@H]1CC(C)C	1998742827	ONQHBGKLHGNREM-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)[C@@H]1CCCC(C)(C)C1	2000161804	HWMOIGSNOXUWRF-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC(C)(C)C(C)C	2000193092	GACNPJMVZVGPLV-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)C[C@H]1CC1(C)C	2000516451	WRDRGQFLYRIZKT-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C1(N)CC2(CCCCCC2)C1	2000669404	DXBVKMFLXYYPSC-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@@H]1CC12CCCC2	2001259451	NTTVLPNEQODMQI-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1CCC12CCC2	2001852701	XBXLQTLODQASCW-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)[C@@H]1CCC[C@H](C)C1	2003009293	YILSECKOGYYOIX-IMJJTQAJSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CCC(C)(C)C1	2004228918	QNCXOZGYVVYTCS-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC)C1CCC(C)(CC)CC1	2004337753	VRQMNLZKBUMKEX-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
CCC1(C)CCC(N)(CCC(C)=C(C)C)CC1	2004354628	ZYSWIHKTKXDRGV-UHFFFAOYSA-N	237.431	4.811	0	10	BJAE	
CCCCCN1CCCC[C@H]1C1CCCCC1	2004372806	OPJPADNJENYWKZ-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
C[C@H](C[C@@](C)(N)C1(C)CCC1)C1CCCCC1	2004818545	ZJKWLIWGGDDNHS-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](C)[C@@H](NC)C1	2006962454	QYWCTSWRZHYVRU-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](O)C1(C)CCC2(CC2)CC1	2007693537	QXXFSLSYEMKFFV-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC)CC(O)(C[C@H](C)CC(C)(C)C)C1	2009308822	RTQOXXOTNRPMMM-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](C)CCC1=O	2009412625	ZDVXCBSOUXMCPD-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CC=CCCCC(=O)c1cc(C)c(C)cc1C	2009579613	XAFOZXSPDGGECO-UHFFFAOYSA-N	230.351	4.541	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@H]1CCCC(C)(C)C1	2009591053	IIWAHOIVJXPXLA-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H]1CCC(C)(C)[C@@H](NCC)C1	2009616894	NEVLEFLJZOHQMO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@H](C)CC(C)(C)C)NC	2009619568	MSISBEZFSRDJBI-PEGRTIRESA-N	239.447	4.783	0	10	BJAE	
CC[C@H]1CC=C([C@H](O)C(CC)(CC)CC)CC1	2010711597	BVKQWZPWHPVLFP-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@@](C)(O)C1=CC[C@H](C(C)C)CC1	2010718930	LEBIBIGJUWZXPH-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CC(C)(C)CC)NC)CC1	2010767379	GFDGKJJQTIOIFO-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](NC)C1=CCC(C)(C)CC1	2010769026	NEFGSSUWEPMKOM-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)C1CCCCCC1	2013236902	NPNUCNZXAAGZJK-INIZCTEOSA-N	237.431	4.610	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)CCCCCC1CC1	2014872584	MJRQVUPNTSQEEC-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](N)c1cccc2ccsc12	2015279449	XKVGOEDKJXQLQK-SMDDNHRTSA-N	247.407	4.583	0	10	BJAE	
CC(C)C(CCC(=O)c1ccccc1)C(C)C	2015386330	LMGMXIARRWZSOQ-UHFFFAOYSA-N	232.367	4.578	0	10	BJAE	
CCCN[C@@H]([C@H](C)CCC)C1(CC(C)C)CC1	2015754548	GFAMEHNZWUUKJG-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C1CC1)C(C)(C)C	2016146496	XGZCNKHKOVIZIX-ZFWWWQNUSA-N	237.431	4.536	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CC1CCC=CCC1	2016148981	FOLVRLHTEPZQFP-MRXNPFEDSA-N	236.399	4.620	0	10	BJAE	
CCCC1CCC(C[C@H](O)C2(CC)CC2)CC1	2017642637	KEGVKEHODZLMRW-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC2(C)CCC2)CC1	2017655822	QJRIASOSLBTGDQ-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC(C[C@@H](CO)C(C)(C)C)CC1	2017711434	CUWZWZUZCSUXTF-NRXISQOPSA-N	240.431	4.638	0	10	BJAE	
CCC[C@H](C)CCNC[C@H]1CC[C@H](CC)CC1	2017728169	IKSQCRSGRFETBX-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CC(C)=C[C@@H](C)C1	2018079851	QEIMIDHORMAYRO-BMFZPTHFSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(F)cc1F	2018128134	VSPVFJHOPMLETI-LBPRGKRZSA-N	241.325	4.736	0	10	BJAE	
CCCCC[C@@](N)(CC)CC12CCC(CC1)C2	2018133139	AKAGPMIFKBQOCS-GPANFISMSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H](C)N(C)C1CC(C)(C)C(C)(C)C1	2019295762	OVZVLFDKAWRFQF-CYBMUJFWSA-N	239.447	4.568	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CCCCC[C@@H]1C	2019378651	YRESDGVFQFOZPM-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCCN(C1CCCCCC1)[C@H]1CC[C@H](C)C1	2020506556	SQUSXYMHRQZTFO-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCC(=O)[C@H](C)C[C@H]1C[C@H]1C1CCCCCC1	2022554506	OUINBGBDWITHAS-SNPRPXQTSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCCCCC1CC1	2023318589	HXOGYLPHIZEKKS-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC1CC(CC)C1	2023327275	KCJBYXLOMYSXTE-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC1CCC(C)CC1	2023332861	QTBHCVNXFREDMU-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@@H](CC[C@H](C)CCCC)NCC	2026075223	TXEODWKSAJFXHS-GDBMZVCRSA-N	239.447	4.927	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(F)c2ccc(N)cc2)C1	2027935509	HNLMKNRJVQEDQP-XNRPHZJLSA-N	249.373	4.670	0	10	BJAE	
C[C@@H](C[C@H](N)c1ccccc1C1CC1)C(C)(C)C	2028561270	YQQBUFMBNHCOJW-LRDDRELGSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](CCC)c1ccccc1	2029966789	MFZWBMPISZDSGC-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
Cc1ccc([C@H](N)C(C)(C)C2CCCC2)cc1C	2032346127	KAXGAIHYDWAGPR-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N1CCC2(CCCCCC2)C1	2032381823	NLLWZWSPIBGJNH-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC1(N)CCC2(CCCC2)CC1	2032504581	BXCFBQMCAZBJOW-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N2CCCCC23CCCC3)C1	2032670112	XAUOEASSKQMJFA-ZSHCYNCHSA-N	249.442	4.610	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)[C@@H]1CCC(C)(C)C1	2033388017	PNAUDTZKGZERDG-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CN[C@@H]2CCC23CCCCC3)C1	2033394914	QZIRGZQPQKHCPN-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C2CCC1([C@H](N)C1CCCCCC1)CC2	2033434385	DLFYCHFVCAQRDR-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CC1(CNC2CC(C3CCCC3)C2)CCCCC1	2033765137	SMUGUJQYFILNPA-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(N)CCCCC23CCC3)C1	2035926607	QSXVGRPGNFZXGA-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCNC[C@]1(C2CC(C)(C)C2)CCC=CCCC1	2036179403	YAGKDBQUDMZDLT-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC(C)C1CCC(N[C@@H]2C=CCCCCC2)CC1	2036500110	RDYQXDGMFOSHQT-AQFXKWCLSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@@](C)(O)c1ccccc1	2038165250	LSQWAMFGWIHUMT-BFYDXBDKSA-N	246.394	4.501	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CC1(C)CCCC1)C2	2038940486	LUJPIHMFEJMRFX-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@H]1CC12CCCCC2	2038998911	GVNJKCOBJZGEJZ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@H]1CC12CCCCC2	2039010103	VXKMTLPYPCIORT-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H]2CCC[C@@H](C)CC2)c1	2039377401	VDSZMWVDSHOJCH-IUODEOHRSA-N	244.378	4.703	0	10	BJAE	
CCC1(C(=O)C[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)CCC1	2039725051	SLJYEJCXYXZEOS-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H](C[C@H]2CC[C@@H](C)C2)Nc2ccccc21	2040165913	LKLHNDUKJNXOJT-CBBWQLFWSA-N	243.394	4.801	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2ccccc2C)CC1	2041383517	OIOXLZLELWKRAX-LSDHHAIUSA-N	244.378	4.784	0	10	BJAE	
O=C(CCCC1CCC1)c1ccccc1C1CC1	2042272773	LQPQHUZWEHTVTE-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC(C)C[C@H]1CCCN1C[C@@H]1CCC=CCCC1	2045312478	OHEKJVJPTRENIP-IAGOWNOFSA-N	249.442	4.633	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CCC1CCCCC1	2045683345	ZCPYWMRCHAJLNM-RHSMWYFYSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C(CC)(CC)CC	2045814946	DVFRKOVQAOFEAD-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@H]1CC12CCCCC2	2047058222	HKHQNGDZBGXPDD-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047435938	ARXUHQVYVMPVOC-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
O[C@@]1(CC2CC=CC2)CCCCC12CCCCC2	2047587469	SAFBJOUILFIPBW-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC[C@]2(C)CC=CCC2)C1	2047716345	SZECZGBMYHFSMO-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC(CNC[C@@]2(C)C=CCCC2)CC1	2049350031	LNXLAFMLWCZXAU-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@H]2CCCC23CC3)CC1	2049414624	JECUKEJKELJTJY-LMPOIIKSSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)[C@H]1CC[C@H](C)CC1	2049687973	ZONDXBUBYUTOTM-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
N[C@@H]1CCCCCCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2	2049704025	KBQHQFXJPIVWID-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1CCC2(CC2)C1	2049937647	ICFDUUWZZCTDEN-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H]1C[C@H]2CC[C@H]1C2	2051409157	OOXAEMGXVNMIOO-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCC[C@@H]2CC[C@H]21	2052287337	XPOZDGZQUJXWEM-FRFSOERESA-N	243.394	4.801	0	10	BJAE	
CN[C@@H](c1ccccc1)C1(C)CCCCCCC1	2052476530	XKVIUYXZQZVXLH-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CNC[C@@]1(CCC2CCC2)CCCCC12CCC2	2053358962	QXMWOIBMUOFZLI-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
O[C@H](C1=CCCCCCC1)[C@H]1CCCCC12CC2	2053367961	QNPSDENNYXWPBF-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@H](C[C@H]2C=CCCC2)C1	2055011352	GKJXUJLLLVMWAU-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]1C[C@H](C[C@H]2C=CCCCC2)C[C@@H](C)C1	2055016843	MXUOZYSGNSWGEJ-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H]1CCC[C@H](C)C1	2056875118	CWPKLJLNZJKECH-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(C)c1NC1CC(CC)(CC)C1	2058832739	DEEYSEAKGWLWBR-UHFFFAOYSA-N	245.410	4.938	0	10	BJAE	
C/C=C/CCCN[C@H]1CCCCC12CCCCC2	2059226399	YXZMXHQOLJJISY-KZSQQDEKSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)C1=CCC(C)(C)CC1	2061111919	AIZWLLMVEQJJNW-IMJJTQAJSA-N	249.442	4.667	0	10	BJAE	
CCCC1CC([C@@H](NC)C2=CC[C@@H](CC)CC2)C1	2061138152	SVFGOADDBZMOHS-LYSZQXJVSA-N	249.442	4.537	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2CC[C@@]12CCC[C@H]1C2	2061623317	QSJIOXQUDTYUBU-GRDNDAEWSA-N	241.378	4.556	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC2=CCCC2)CC(C)(C)C1	2063643850	WWRIKBPJVRBGDJ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CNC2CC2)CCC1(C)C	2068230853	SVQNCYJQPHGJAB-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1(C(=O)CC2C[C@H]3CC[C@@H]3C2)CCCCCC1	2068704143	OZTLHXQWRLKMAA-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)c1ccc(CC)cc1	2068815754	CJSVIOUNTYVDQD-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCCCC23CC3)CCC1	2069339267	HETJBHIXYKSOFI-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@H](NCC)c2cc(C)co2)CCC1	2069343809	CWBHAHIXEPVIQX-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCC1(CC2CCC2)CC1	2069582298	ZSRNZAOHSADHOV-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@]12CCC[C@H]1C2)C1CCCCCCC1	2070962501	JXGGPMHWVKOSJB-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](C)CC1)c1ccccc1	2072799860	XXBKICFGZJZIEC-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2[C@@H]3CCCCC[C@@H]23)CC1	2072875089	KEPYWVJROLVODS-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)c1cccc(CCC)c1	2073342039	UGFJNAKZJVSKCF-QGZVFWFLSA-N	247.426	4.783	0	10	BJAE	
CCCC[C@@H](C=C1CCN[C@H](C2CCC2)C1)CC	2073791892	UGWJXKKKXJGIJT-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N(C)[C@@H]1C=CCCCCC1	2074811547	WDGGJWLZWRFNAJ-GVDBMIGSSA-N	249.442	4.632	0	10	BJAE	
CCCCN(C[C@@H](C)C1CCC1)c1ccccc1	2075166495	YHPBMXRWBMICMD-OAHLLOKOSA-N	245.410	4.729	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCCC[C@H]1c1ccco1	2075233571	OECFBNIWHFQWMB-CABCVRRESA-N	249.398	4.631	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCCCC2)CC[C@H](C)C1	2075364001	USTGEVZGUAZTJY-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1cc(C)ccc1F	2077188881	BOHINXJUADSLIJ-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
Cc1cccc(NC[C@H]2C[C@@H]2C2CCCC2)c1C	2079638009	AFKMNDNFAMRXRM-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
C[C@](N)(CC1CC1)C[C@H]1C[C@H]1C1CCCCCC1	2079819704	OFZXPGXVEJCXOB-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NC)c1cc(C)cc(C)c1C	2082917835	CZRYVZQZMLIENP-DKRLNXSXSA-N	245.410	4.619	0	10	BJAE	
C[C@H]([C@@H](O)c1cccc(C(C)(C)C)c1)C(C)(C)C	2083541006	GECIPHKVGZGCTF-IUODEOHRSA-N	248.410	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CCCNC23CCCC3)C1	2083813901	JBEWBWZJLCTISB-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](N(C)C[C@H]2CCC=CCCC2)C1	2085278608	BFCAABTZEIHGGH-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)C[C@H](C)CC	2212590353	VUAOSIDUKVHZFR-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C1CCCCC1	2213572761	ACAWRNNNQMYUEY-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC1(C)C[C@@H]1C[C@@H](N)CCCCCCC1CC1	2213578776	PTLMABUCQREJHK-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
Fc1ccc(C/C=C/c2ccccc2)cc1Cl	2213823104	OXBYDRJVIQPDCM-QPJJXVBHSA-N	246.712	4.735	0	10	BJAE	
CCCCC[C@H](CC[C@H]1C[C@H]1CC)NCCC	2215258563	VJIJYVKRTXTERG-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)[C@H]1CC[C@H](CC)CC1	2215345625	LACFYKZOODZOAH-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1c(C)cccc1C	2216065939	QDHKYXZIDLTZEO-ZBFHGGJFSA-N	233.399	4.520	0	10	BJAE	
NC1(CCCCC(F)F)CCCCCCCC1	2216424376	LOSJLSSISYKPRY-UHFFFAOYSA-N	247.373	4.644	0	10	BJAE	
CC(C)CCCCCCNCCCCC(F)F	2216446059	AFGGYTWCXICXLI-UHFFFAOYSA-N	249.389	4.618	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)CC1CCCCC1	2217150754	OLRVECVFYZEOQW-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
O=C(CC1CCCCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218309417	KSUFZMTUXDGKEW-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C/C=C/c1ccccc1	2219089598	DFEDVAXXDAGXDG-YRYLYKBFSA-N	245.410	4.634	0	10	BJAE	
N[C@@H](CCC1CCC2(CC1)CC2)C1CCCCC1	2220293334	VRMZTYQOPCEYNI-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C[C@@H](C)c1ccccc1	2220965512	ZWBZEQTXGLRSRQ-IIAWOOMASA-N	244.378	4.576	0	10	BJAE	
CC(=CC1(C)CC2(CCC2)C1)c1cccc(N)c1	2221038152	YBIIFGNQZBNYPF-UHFFFAOYSA-N	241.378	4.643	0	10	BJAE	
CC1(c2ccc(CC=Cc3ccccc3)cc2)CC1	2226207438	NOWBEYIAEYTERQ-UHFFFAOYSA-N	248.369	4.994	0	10	BJAE	
CCCC(N)(CCC)CCCC[C@H]1C[C@@H]1C	2243047821	IAXSCVYSEGGBQN-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCc1cc(Cl)ccc1C(=O)CC(C)(C)C	2243671227	FRVJDSWDAXAOPA-UHFFFAOYSA-N	238.758	4.521	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@@H]1CCCCC12CC2	2246602914	NVPLOQBVKRWBGW-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC1CC2(CCCC2)C1	2246810256	YIKIRMWOHXCOHY-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)CCCC[C@H]1C[C@H]1C	2247161175	YZWVZJAMXPMHDK-OWCLPIDISA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@](C)(N)C1CCCCC1	2247175236	IRWWONZJSLAABQ-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2=CCCCC2)CC1	2247514407	UXKWGUCRQXQQGK-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CC(C)CCC[C@@H](N)CC[C@@H]1CCCC12CC2	2247591045	PJXLZRYYPJDOOD-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC1(CCC[C@H](N)c2csc(C3CC3)c2)CC1	2248057169	UORRBWKALHNHFM-ZDUSSCGKSA-N	249.423	4.596	0	10	BJAE	
CC(C)=C(C)CCNCC(C)(C(C)C)C(C)C	2248385869	RPJTUOGZKSLTSY-UHFFFAOYSA-N	239.447	4.641	0	10	BJAE	
CC[C@@H](C)[C@H](NC)c1cc(C)c2sccc2c1	2248578992	PDICACWJGLUTOR-YGRLFVJLSA-N	247.407	4.516	0	10	BJAE	
CC(C)NCC(C)(C)CCCCC[C@H]1C[C@@H]1C	2248847131	YFNMQECKEOIFAH-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@H](C)C2)cc(C)c1C	2249490475	GYFACZCMOMZMGG-NHYWBVRUSA-N	231.383	4.602	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)CCC(F)F	2250516345	HWJAEYRQURLXQO-CHWSQXEVSA-N	249.389	4.602	0	10	BJAE	
C[C@H](CC(=O)[C@]12CCC[C@@H]1CC2)CC(C)(C)C	2251111823	SLNZPAPBESSSJK-IOASZLSFSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@]12CCC[C@@H]1CC2	2251198165	VEDFPQMGEAYWMN-OWCLPIDISA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)C[C@@H]1CCCCC12CC2	2253821242	VOCSMVVXRDSFMC-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@](N)(CC[C@@H]2CCCCC23CC3)C1	2253840811	UAIFCKJGKIUGQS-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2(N)C[C@H]3CC[C@@H](C3)C2)C1	2253997863	SDIPJJUFXWGRAL-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN[C@@H]1CCC12CCCCC2	2254504241	SMGGAPYDSOMOQJ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)[C@H]1CCCC12CCC2	2254547099	ZTQDISDTKQKSCL-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC[C@@H]2CCCC23CC3)C1	2255231463	BHCHSPWNHZTLMD-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC[C@H]1CCCC12CC2)C1(C)CCC1	2255280181	ACSVJVGDSNTBPZ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)C1CC2(CCC2)C1	2257254018	FKPFURAFWXCOJI-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CCC(N[C@]23CCC[C@@H]2CC3)CC1	2260538262	HKMADWNGTKCDBF-BJDYSFLHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@]23CCCC[C@@H]2CC3)[C@@H]1C	2260645924	KHALMFPPIBGEAZ-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)C[C@]23CCCC[C@@H]2CC3)C1	2260673316	RKERKSZBOZSYFO-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)[C@@]12CCC[C@@H]1CC2	2298696058	UTOYVRXPCUJLTK-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCCC(F)(F)C1	2300678091	HAALYMFEYDUGPN-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H](CC)CC[C@H]1NC	2300684181	RAWJCDUXOGDYAH-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCC[C@@H]1C(C)C	2300689915	CRGRBCZMTCAKHK-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CCCC[C@H]1C	2300877964	WKNQUBISEGKURI-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1CCC[C@@H]1C	2300879404	FYTMHJZWMMCTTC-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CCCC=C(C)CCCC(C)C)NC	2300887397	HSTXFNITEMUYLP-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCC1([C@@H](N)CC2CCCCCC2)CCCC1	2301243075	YPRFOPXCLQOVJN-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)[C@H](C)[C@H](C)C(C)C	2301831166	BTIBIQRENNJODJ-KLHDSHLOSA-N	241.463	4.575	0	10	BJAE	
CCCCCC[C@H](N)CCCC1=CCCCC1	2302355333	ALPAJNRWARUYDK-INIZCTEOSA-N	237.431	4.955	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CCCCC1CC1	2302581113	YGSHQNSSCFZFAW-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H]2CCC(C)(C)C2)C1	2302747962	JFGIQJDYLWWSHX-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCCC[C@H]3C[C@@H]32)c1	2302994772	VOJAYTXVCLORRM-SGMGOOAPSA-N	249.785	4.639	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C	2303375941	NMKZXTVNSPCDKG-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](O)(CC)[C@@H](CC1CC1)C1CC1	2303838669	HQXHVHSXBXDJBI-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC[C@H](C(C)C)C1	2307874445	GRKMCBKOQBFNJB-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CC[C@H]1C(C)(C)C	2307896025	XWALFUXPHBHXBW-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H](C)C1CC(C)(C)C1	2307898732	MJFLRFFIQBPCTG-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@@]23CCCC[C@@H]2C3)CC1	2311147668	KFHNJGWSXJCNRP-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312959437	FIISHHGUSOLZTQ-SNPRPXQTSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC=C(C)CC)c1cccc(C)c1	2316555840	CECRUVNIAOXAIN-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316701516	OQDURSLLEZNNIB-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCC1(NC[C@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2317000167	AEHWBVFVJLGDKU-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NCCCC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317148757	PFMNHPXJYGQTPD-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1=CCCCC1)CC1[C@H]2CCCC[C@H]12	2317939283	POJKDLZTJWQOIK-HOTGVXAUSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1[C@@H](Nc2ccccc2C(C)(C)C)CC1(C)C	2318251604	AGWQYEMFTYXSNQ-WFASDCNBSA-N	245.410	4.831	0	10	BJAE	
C[C@H]1[C@H](C2(N)CCC3(CCCC3)CC2)CC1(C)C	2318254071	KDMCQLNHLQZMFD-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1C[C@@H](C)CC[C@H]1CCCC1=CCCCC1	2318537528	FUILPNRTBUNGSJ-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)CCCC1=CCCCC1	2318581100	SIOYGHCMWVLWEL-BVUBDWEXSA-N	246.394	4.518	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H]1CC[C@H]1C(C)(C)C	2320101983	GDMNEACVTSFRJR-XHSDSOJGSA-N	249.442	4.559	0	10	BJAE	
CNC[C@]1([C@@H]2CCCC[C@@H]2C)CCC(C)=C(C)C1	2320267000	ZDVFVMLWWVHZJW-UAGQMJEPSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(F)ccc1NCC[C@@H]1CCC(C)(C)C1	2321533656	XTPANIPTGXQWDV-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
C[C@@H](NCC[C@@H]1CCC(C)(C)C1)c1ccccc1	2321536395	AYUYCXDYZKDNNM-CABCVRRESA-N	245.410	4.554	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)[C@@]23CCCC[C@@H]2C3)C1	2321600988	VFTUJTPXLYKIMB-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@@](C)(NCC[C@@H]2CCC(C)(C)C2)CC1	2321628305	QONWMAYSZUWADN-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@H]2C=CCCC2)c1	2327697689	SYCUKSGAPPLJRY-WMLDXEAASA-N	244.378	4.508	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@H]2C=CCCC2)c1	2327697690	SYCUKSGAPPLJRY-YOEHRIQHSA-N	244.378	4.508	0	10	BJAE	
CC[C@H](N[C@H](C)CCC(C)C)c1cccs1	19991969	ASJNPGSSFPAMIF-OLZOCXBDSA-N	239.428	4.614	0	10	BJAE	
COc1ccc(C)cc1NC1CCCCCCC1	20011221	STNVVSJXNARKOU-UHFFFAOYSA-N	247.382	4.528	0	10	BJAE	
CC[C@@H](Nc1ccccc1F)c1ccc(F)cc1	20548581	FKMFGYVMBIAFLP-CQSZACIVSA-N	247.288	4.528	0	10	BJAE	
C[C@H](Nc1cccc(F)c1)c1cccc(Cl)c1	21058378	MNUUJXCXWBXGHS-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C)c(C)c1	21511659	FABBMIVEQDHIDF-JLJPHGGASA-N	245.410	4.533	0	10	BJAE	
CCC[C@H](C)NC1CCC(C(C)(C)CC)CC1	21793786	FOYORQBBHMQGHR-NFOMZHRRSA-N	239.447	4.760	0	10	BJAE	
C[C@H](CNc1ccccc1Cl)c1ccccc1	21794411	OLYRNWWIUNHLDI-GFCCVEGCSA-N	245.753	4.556	0	10	BJAE	
CCC[C@@H](NCC)c1ccc([C@@H](C)CC)cc1	35544100	KEBUTLRADAAWMU-XJKSGUPXSA-N	233.399	4.651	0	10	BJAE	
Cc1ccc(C(=O)CCC2CCCCC2)cc1	36942800	USDJPWHOVZNMBH-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCCCCC[C@H](C)O[C@H](C)c1cccc(N)c1	40908487	QLAPWEUYUDXOTA-UONOGXRCSA-N	249.398	4.705	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)[C@@H](C)NCCC	71083984	CMHFCGOJEOKHMS-RBSFLKMASA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)c1cccs1	71085134	IWPCCRZVDDYQHY-STQMWFEESA-N	239.428	4.615	0	10	BJAE	
Fc1ccc(C(F)(F)F)cc1C1CCCCC1	75841116	HLZMJELDXFVRRN-UHFFFAOYSA-N	246.247	4.892	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC(C)(C)CC1)c1ccccc1	86893336	HOAQMLFZLNDUGO-GDBMZVCRSA-N	245.410	4.696	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(C)cc2)CC1	86894054	WBTUNYRTBFEWSX-LSDHHAIUSA-N	231.383	4.766	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1sccc1Cl	87621317	KSXWNGDQUYNBJM-ONGXEEELSA-N	245.819	4.618	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CCC[C@H](CC)C1	87989156	NMRYVCBQIZZEOT-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](NC1C(C)(C)C1(C)C)c1ccccc1	92815901	AAAVSNTVZFQUOZ-CQSZACIVSA-N	245.410	4.552	0	10	BJAE	
CC1(C)CCC(N[C@H]2CCCCC2(C)C)CC1	94279687	OGVOZPBAXWPIAY-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC1(CNC[C@H]2CC=CCC2)CCCC1	94874530	BZEYLFKZILIGOW-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1ccc(C)cc1	109708455	KOOVNIFNONQXJM-AWEZNQCLSA-N	232.367	4.784	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)c1cc(C)oc1C	110227239	SCVAQZBELMXFIP-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC(C)(C)C2)CC1	131389088	RHMYELKPFIDFPU-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CCc1cnc(-c2ccc3ccccc3c2)s1	132106034	IFLDKADACHRYKU-UHFFFAOYSA-N	239.343	4.526	0	10	BJAE	
C/C=C/CCN[C@H](CC(C)(C)C)c1ccccc1	161688334	WIXGAWVUYZTTDU-SQRWCISFSA-N	245.410	4.720	0	10	BJAE	
CCSc1ccccc1N[C@H]1CCC[C@H]1CC	164041962	OEMCSTIHQBRSFL-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1c(C)cc(C)cc1C	165069520	YHMARHUOZGFRGY-LLVKDONJSA-N	232.367	4.621	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC(C)(C)C	168121602	NSXFUQLKYPPQFJ-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CC[C@@H](C)C[C@@H]1C	221687192	UMMRRBVWWLPXOM-FXUDXRNXSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@@H]2CCC[C@@H](C)C2)C1	222373859	GFVFMRVODNCARC-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@@H](NC)c1c(C)cc(C)cc1C	229155468	GZGQGBGKWRGSCA-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CCCN[C@H](C=C(C)C)CCC1CCCCC1	229744319	XJGOVLSLLLVNIK-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@H](C)c1ccccc1	233336235	IJGCJYVMQYGTCG-ZOBUZTSGSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](CC)Nc1cc(C)ccc1Cl	233348145	WECAHJVIONJKPK-NSHDSACASA-N	225.763	4.639	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCC[C@@H](C)CC1	233977853	DAZSPEUMLYMQGO-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC[C@@H](O)c2ccccc2)C1	252216375	ZHKXURJWTYCJOV-WBTNSWJXSA-N	246.394	4.573	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCCC[C@H]1C(C)(C)C	252424677	IRYFWHJQRQSFMZ-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCC23CCCCC3)C[C@H]1C	299956198	QIIGERFIGWQXDZ-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1ccoc1Cl	300058511	CMSBWPRWTYAVRU-JQWIXIFHSA-N	243.778	4.539	0	10	BJAE	
CCCC[C@H](CC)Cc1cccc2c1NCCC2	300116266	MKRWXYNSLYJRPW-AWEZNQCLSA-N	245.410	4.804	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H]2CCCC2(C)C)C1	300286436	MZIPKTHFOZEQPK-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCCNc1cc(F)ccc1Cl	300826575	HQUGSSFJXVJWSG-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCNC[C@H]1CCCC[C@@H]1CCCC(C)(C)C	302290114	LBHUPTGCTJAGOT-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)C)c1cc(C)ccc1C	302297927	GZSDTDXQHZEJIG-RHSMWYFYSA-N	247.426	4.636	0	10	BJAE	
CCc1cc(N[C@@H]2[C@@H](C)CCC[C@H]2C)ccc1C	302318889	PONKEAUYIXZABW-HALDLXJZSA-N	245.410	4.794	0	10	BJAE	
Cc1cc(C)c(C(=O)C(C(C)C)C(C)C)cc1C	302552794	KHOMVTDSIGUEPG-UHFFFAOYSA-N	246.394	4.723	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@@H](C)CC(C)C	302585195	SPSCQILQFRZOHT-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CNc1ccc(Cl)c(F)c1)C(C)(C)C	304368736	ZVPFXKPJSMBAGC-SECBINFHSA-N	243.753	4.573	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)CCC(C)(C)C	304400316	NZRRRNTYKVGDSX-MJBXVCDLSA-N	227.436	4.616	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1cccc2ccsc12	305899949	AFRABBDZDOSKGF-SMDDNHRTSA-N	248.391	4.617	0	10	BJAE	
CSc1ccc2sc(C)cc2c1Cl	307408897	FRRPUPSYUNRJNY-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CC(C)C(C(=O)c1ccc(Cl)s1)C(C)C	308904111	DDHLZXWMHKKADG-UHFFFAOYSA-N	244.787	4.512	0	10	BJAE	
C[C@H](C[C@@H](N)CCCC(C)(C)C)CC(C)(C)C	309992261	UTDULCGBEARGHM-KGLIPLIRSA-N	241.463	4.993	0	10	BJAE	
CCC1(C[C@@H](N)[C@H]2CCCCC2(C)C)CCC1	310179556	WAUIANDVIUQKRF-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC1CCC1)CC1(CC)CCC1	310504475	KDDJHBAAGCDPDQ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Fc1ccccc1N[C@H]1CCCC12CCCCC2	313003003	AJNJQDKDBXSRST-HNNXBMFYSA-N	247.357	4.741	0	10	BJAE	
CCC[C@@H](CCCC/C=C/c1ccccc1)NC	324219646	YRCYSMWMYYHVPU-CRVDFBCUSA-N	245.410	4.648	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC23CCCC3)cc1C	328200440	STKRFGCITBWLKL-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
C[C@H](C[C@H](N)CC1(C)CCCC1)CC(C)(C)C	380069635	ZTBYQXDGDQWKSA-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CC3CCC2CC3)CC1	380968396	VRPLILSDAPQKDR-QDIHITRGSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CCC[C@H]2C[C@H]21	381092941	NDZGASOFDJYQPF-GZBFAFLISA-N	243.394	4.585	0	10	BJAE	
CC/C(=C\C1CCC(C)(C)CC1)CNC(C)C	383556851	ZADUDXIEHNAZES-SDNWHVSQSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@@H](C)C1CCCCC1	383706827	WJIUHZOIGPBAHK-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](NCCC1(C)CCCC1)C1CCCCC1	383837627	YUZJZKKLMUEITO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1ccc2sccc2c1	386261607	VSCAGGPOCLDVLY-FZMZJTMJSA-N	247.407	4.727	0	10	BJAE	
CCCN[C@H]1CCC[C@H](CCC2CCCC2)C1	393833156	LPFDWAAPIKBNJV-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C[C@H]1CCC[C@@H](C)C1	395040205	CYJVOUKSGMULCE-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@H](N)C[C@H]2CC=CCC2)CC1	402149722	LXJDHPUTJGEJJC-ODZFXCKXSA-N	249.442	4.667	0	10	BJAE	
CC(C)(CCC1(N)CCCCCCC1)C1CC1	405969427	UBWJCLHBCQFAIE-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C/C(=C\Br)c1ccc(C(C)C)cc1	606290154	HECAQDZQBLEETG-CSKARUKUSA-N	239.156	4.566	0	10	BJAE	
C/C(=C\CCNCC(C)C)CCCC1CCC1	688381513	FGSZVURKGMUWNP-OVCLIPMQSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCCC1=CCCCC1	691147216	HOORDHZIEJOLKZ-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
C[C@H](C(=O)c1ccc(C(C)(C)C)cc1)C1CCC1	692694936	QLGBXAQYYHJPQF-LBPRGKRZSA-N	244.378	4.603	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1N[C@@H]1CCC12CCCCC2	693806180	PMLHUKQLJYNEBM-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1C[C@H]1C(C)(C)C	699994074	XZGHFTFMWJJOKC-XQLPTFJDSA-N	240.431	4.636	0	10	BJAE	
CC1(C)C[C@@]1(C)CN[C@@H]1CCCCC12CCCC2	701992106	FUPHPSZCNBATRB-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@]1(CNC(C)(C)C)CC1(C)C	702213400	FZMABDWRVXSYCI-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)c1cc2ccccc2o1	704673506	QHICXSXJFCJVEC-XHDPSFHLSA-N	246.350	4.539	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@H](C)CC(C)(C)C	704733037	FJYFGBZPDBLRLX-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@H]1CCCC[C@@H]1C	704843950	IZPTZMXIRUPDGO-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(CC(CC)CC)C1CCCC1	704951972	OZIPOVZAGNEPMI-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC12CC2)c1cccs1	706543702	JDELFJYVFOPCBT-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3CCC[C@@H]32)CC1	707841963	HKNUULDJUAWPPS-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC(C)C)C(C)(CC)CC	709090938	QMVMXKQCWUSVGT-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C[C@H]1C(C)(C)C)CC(C)(C)C	709125651	IETOBWCLOVKZOS-FRRDWIJNSA-N	238.415	4.700	0	10	BJAE	
Cc1ccc(C(=O)[C@H](C)CC(C)(C)C)cc1C	709263072	PJBZLEIQWDEEBK-CYBMUJFWSA-N	232.367	4.558	0	10	BJAE	
CCCC[C@H](C)Nc1cccc(SCC)c1	709757144	SVRMWTYYGLJBLI-LBPRGKRZSA-N	237.412	4.789	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@]12CCCC[C@H]1C2	710468704	MFXQBEAFAXPVBF-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]3C[C@H]32)CC1	710606796	HPAKKLYNXBJSLJ-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)CNc1csc(C)c1	710798016	JLTAYICIFWVXBN-LBPRGKRZSA-N	225.401	4.685	0	10	BJAE	
CCC(C)(C)CCC[C@H](C)CNC(C)(C)C	711273026	DQOQTKKFWRULJJ-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CC(C)(C)CC[C@H]1C	713040382	AWCCUDYQVDFBOA-IPYPFGDCSA-N	239.447	4.616	0	10	BJAE	
CCc1ccc(NCC(C)(C)C(C)C)cc1C	713146521	CIPJLWJQRWHVSU-UHFFFAOYSA-N	233.399	4.652	0	10	BJAE	
CC(C)C(C)(C)C[C@H](C)[C@@H](C)CNC(C)(C)C	713212581	QNUBOWRVBHFISE-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)CC(C)(C)C(C)C	713247478	QQUOFFXPGRJDIL-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
C=C/C=C\CC[C@@H]1C[C@H](C(C)(C)C)CCC1=O	713674036	NPEBWOYBZZLTHX-YOIVVXPQSA-N	234.383	4.540	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@@H]1CCCC1(F)F	713953165	GULFITMWCSUARG-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](C)C1(CNC(C)C)CCC=CCC1	718083031	PGLPEHCLOGVVIL-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC1CCC(CCN[C@H]2CCCC3(CC3)C2)CC1	723558543	BFRRZSYIOBDOPZ-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)CCNC[C@H](C)C1CCCCC1	1207357929	SHDBFWHFFHQQDG-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@H](CC)NC1CCC(F)(F)CC1	1258431278	ZDFONCMIADQRFG-GFCCVEGCSA-N	247.373	4.513	0	10	BJAE	
C=C/C=C/CCSc1cc(C)ccc1Cl	1307392635	HNVOJGPOAPBFGM-SNAWJCMRSA-N	238.783	4.873	0	10	BJAE	
CCCc1ccc(CNCCCCC(C)C)cc1	1308280660	PSEPUMDOYQANEP-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
C/C(=C/Cl)CSCc1ccc(F)cc1C	1652796876	HJXVMFDIJMOIMW-TWGQIWQCSA-N	244.762	4.510	0	10	BJAE	
CCC(CC)c1cccc2sccc12	1889481646	XCJROUKJLQNNDP-UHFFFAOYSA-N	204.338	4.805	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H](C)[C@H](C)C(C)C	1901628756	XSHKDDWFPJZHLJ-KFWWJZLASA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](O)CCC[C@H]1CCC(C)(C)C1	1903418459	VGHDGCGGEVGAGQ-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1ccc(Cl)cc1	1905435808	UQPFHPIZQACNLQ-BXUZGUMPSA-N	239.790	4.556	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1CC[C@@H]2C[C@@H]2C1	1906525861	WRMCAZDAWIEBLX-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC[C@H](O)CC1CCCCC1	1910760379	AFLGUTDWRJVDPZ-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@](N)(CC)C1CCCCC1	1910822288	QLUZKWIIUUSLSR-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC=C[C@H](NCCC)c1csc2ccccc12	1911872265	VFOXYEOVBJJWDC-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C1CCC(C)CC1	1912017734	YLOQMKMERSHTQB-OFLPRAFFSA-N	249.442	4.703	0	10	BJAE	
C=CC=CCC[C@H](NC)[C@@]1(C)CC[C@@H](C)C1(C)C	1912110850	LJQAVSLIKIZMEB-HLLBOEOZSA-N	249.442	4.559	0	10	BJAE	
CCCNCC1(C2CCC2)CC2(CCCCC2)C1	1912580496	DJAIOIVEMAGTFI-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C1CC2(CCCC2)C1	1912595425	BISLYJULAIMPRN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1C[C@@H]1CCCCCCCC[C@@H]1O	1913391805	OYNWJOAYSIADMB-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@]1(CNC(C)(C)C)C=CCC1	1916386831	SIRBBSCBSCZELK-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@H](N[C@H]1CCC2(CCCC2)C1)C1CC1	1916444893	MNNANFYNJZOLRQ-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@H]1CCNc1cccc2ccsc12	1921535952	HMVAYGWLLFUKIQ-GFCCVEGCSA-N	245.391	4.749	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@H]1CCCC12CCC2	1921587954	ZYDIYASBTASMFH-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(CNC)C1CCCCC1	1924104077	DYMHCRVXJYDOEM-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(F)c(C[C@@H]2C=CCCC2)cc1Cl	1925881919	LYRFZPQJMFZQIQ-LLVKDONJSA-N	238.733	4.686	0	10	BJAE	
CC1CCC(CCNC[C@H]2C=CCCCC2)CC1	1925942140	FSBPTSBLGJKITA-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)CC(CC)CC	1926152843	NSLQVWBAQNQJMO-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)c1csc(C)c1	1936262926	AGGPWGOFZVINDZ-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC1(C)CCCCC1	1940407493	JFEWVALXKIPCSY-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)CC1CC(C)C1	1940690010	OCKNLGSGJUPTLR-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C[C@H](O)CCCCCC1CC1)C1CC1	1941579253	LUWJDKMEEAZCOM-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1C[C@H]2CCCC[C@@H]21	1941717720	PASOLOZZUKXHLS-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1CCC=CCC1)NC	1941795979	VGAGDNZKEFFKCH-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@H](C)CCC(C)C	1942661527	MJGGPFVVZXPGJO-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@](C)(O)OC[C@H](CC)CCCC	1942890193	UOOYGMORHSPTNY-CABCVRRESA-N	244.419	4.508	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1csc2ccccc12	1944639736	ASBMFFAKMGPNJK-UHFFFAOYSA-N	246.375	4.766	0	10	BJAE	
CCCCCCNC1(C2CCCCC2)CCC1	1945278950	QNAKAAOVPASXQS-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NCCC1(C)CCCCC1	1945432091	JYRMLSFKQMHURN-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1CC12CCCC2	1948079533	FLLMELXNBPJRBQ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC1(C)CC(C(=O)CCC[C@H]2CC2(C)C)C1	1948406297	YKXZRHHOAUXOLI-UYJPIKCFSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C2=CCCCCCC2)C1	1948951421	DEDAMXMKCUVZEK-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
CCC1(C[C@H](N)C2(C)CCCCCC2)CCC1	1948983757	HUMZZPOGRVUZJB-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H]1C[C@@H](CCCC(C)C)CCC1(C)C	1949663714	YSQVWRSPDBVFOQ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC(C)=C(C)C)CC1CCCC1	1949862650	SSRJENCWIUWTLA-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](C)C1(N)CC2(CCC(C)(C)CC2)C1	1950558517	DEJRVGJVNWURJJ-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC(=O)c1cc2sccc2s1	1961400573	AWNINOUEZLZDLA-UHFFFAOYSA-N	236.361	4.502	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCCC[C@H]2C2CC2)C1	1963181194	AUNBNOUZSNKKIF-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CC(NC2CCC(C)(C)CC2)C1	1963183577	ZLWLTLHUABQUTA-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H]2CCC(C)(C)C2)c1	1968308387	VWBYOUSJIZXQTE-CQSZACIVSA-N	232.367	4.509	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1C[C@H](C)[C@@H]1C	1968602154	GSUWTNJCHAQOJS-HEHGZKQESA-N	231.383	4.575	0	10	BJAE	
Cc1cccc(N(C)CC2CC(C(C)(C)C)C2)c1	1968606092	SYOUEAARKKJOIK-UHFFFAOYSA-N	245.410	4.504	0	10	BJAE	
c1cc2c(c(OCCC3CCCC3)c1)CCCC2	1968652034	OYJXCORWEXHRIJ-UHFFFAOYSA-N	244.378	4.525	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1CC2(CCCCC2)C1	1968859474	OLCLUOLAHANXAD-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC(C)(CN[C@@H]1CCCC2(CC2)C1)C1CCCC1	1971703506	POXVKAACZSXYEN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H]1CCC(C)(C)CCC1=O	1984462246	MFRGWBXGYIYRFB-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@H]1CC[C@H](C)C1	1996223463	SFNFUWUZWVZWLP-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CCC(C)CC2)cc1	1996546584	LQNDZLVASLPPLA-BLZCZZARSA-N	231.383	4.622	0	10	BJAE	
C[C@@H](CC(=O)[C@]1(C)CC=CCC1)CC(C)(C)C	1997610133	CETQZRBKRSKOBL-XJKSGUPXSA-N	236.399	4.764	0	10	BJAE	
C[C@@H]1CCC[C@@](N)([C@@H]2CCCC(C)(C)C2)CC1	2000062647	NSPHCFCHBAWNKB-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1CCCC1(F)F	2000214088	VGQPYRXFBZBAJL-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)CC1=CCCC1	2000508851	KPOVJRWXXVYYRX-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)CC1=CCCC1	2000509443	PESPZSKWUJWOEQ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(NCC2(C)CC=CC2)c(C)cc1Cl	2001693975	MPCQHKYAUYCNOP-UHFFFAOYSA-N	249.785	4.725	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)[C@H]2C[C@H]2C)CC1	2003067001	LRSBWLMQOISDIR-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@](C)(O)C[C@H]1CCCC2(CC2)C1	2003193705	ZUWSCESJJQZHOC-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@]1(C)C=CCCC1	2003324105	HFLWUEKCGNTGPV-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](CC)NC1C2CCCC1CCC2	2003331474	GONAKDIZHGQOOT-MYLOQMAZSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CC=C(C)C)NCC	2004230633	YLLZCNLDOCXYNZ-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1(C)CCC(C)CC1	2007683295	MXXNDKPTCZYGOU-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CCC(C)(C)[C@H](O)C1=CC[C@H](C(C)(C)C)CC1	2010724711	CXLMBQNSMFSLBT-UONOGXRCSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H]1C[C@@H](CC=C(C)C)CC(C)(C)C1	2012065762	XERAACXQWQFPCE-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1c(F)cccc1F	2013263185	GBCRAHYLKBFVGQ-NSHDSACASA-N	241.325	4.592	0	10	BJAE	
CC(=CC(C(C)C)C(C)C)c1ccc(N)cc1	2015398125	KVQPRFLROPEZIC-UHFFFAOYSA-N	231.383	4.600	0	10	BJAE	
CCCC1(C[C@](N)(CC)C2CCCC2)CCC1	2015643666	FHZMZCGCASURTA-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC(C)(C)C(C)(C)C	2016149703	MDCMALOGEWGCIK-AWEZNQCLSA-N	239.447	4.783	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C[C@H](O)C1(C)CCCCCCC1	2016307868	NTZXAACFJGAWEK-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H](CC2(C(C)(C)C)CCC2)N1	2017144766	WUCWEOPPUHENEC-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@H](C)C1CCCCC1	2017701143	GBYQTWPZRSLTSL-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C[C@H]1CC[C@H](C)CC1)NCCC	2017724146	WXWKUPGGBDLSPG-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(C[C@@H](C)C[C@@H](C)NC)CC1	2017732485	BHSHMYPTQTUSRX-QRNKSROTSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)C(C)(C)C(F)F	2017797184	RARMGNMJMWHJNK-NWDGAFQWSA-N	249.389	4.615	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)CC1(CC)CC1	2018992256	PAGBEXVBTSFXHC-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CCCC[C@H]1CC	2019199804	MKIAAAFCFZTETL-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CCC1(CC)CCC(N(C)[C@@H](C)C(C)C)CC1	2019383460	BMWBGFOMLIAGPM-AWEZNQCLSA-N	239.447	4.712	0	10	BJAE	
CCC1CCC([C@@H]2CCCC(C)(C)C2=O)CC1	2020393580	QJMCDYBJUQWWCM-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1COc1cccc2sccc12	2022546124	DTGDOIMTNUSCRF-YPMHNXCESA-N	246.375	4.572	0	10	BJAE	
CCC[C@H](C(=O)CCCCC(C)(F)F)C(C)C	2023333571	YEYBHTIHGZHOLB-LBPRGKRZSA-N	248.357	4.843	0	10	BJAE	
C[C@@H](C[C@@H](C)CC(C)(C)C)[C@H]1CC[C@H](N)CC1	2023551716	UVYUXEIEOGDEEV-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(CC[C@H]1CC(C)(C)CC1=O)C(C)C	2023631447	JIKUVDZREQZKND-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
Cc1cccc([C@H](O)[C@H](CC(C)C)C(C)C)c1C	2028234096	CISAHNGCBVQXCM-SJORKVTESA-N	248.410	4.655	0	10	BJAE	
CN[C@H](c1cccc(C)c1)[C@H](CC(C)C)C(C)C	2028254560	IAUVPKPUDCSBSZ-IAGOWNOFSA-N	247.426	4.574	0	10	BJAE	
Cc1cc(C)cc([C@H](N)[C@H](CC(C)C)C(C)C)c1	2028256239	XKEUITOFXJGKBV-SJORKVTESA-N	247.426	4.622	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccccc1C1(C)CC1	2028575720	NRDHAVMKLGYRCT-CYBMUJFWSA-N	244.378	4.747	0	10	BJAE	
CC1(C)CCC[C@@H](NCC2(C3CCCC3)CC2)C1	2029738091	MQUFKIUOQBLIIZ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H](C)C1CC1)c1cccc(C(C)C)c1	2032155030	VXCOUUJZTDHDSY-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@@H]1CCC[C@H]1C	2032506642	PTLHXCWJOSOGIX-JKIFEVAISA-N	245.410	4.636	0	10	BJAE	
CCCC1CCC([C@@H](N)C[C@H]2C=CCCC2)CC1	2035604034	YDNVVFDGOYJGEV-XGHPGWEVSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)c1ccccc1C(C)C	2036377740	WGUGPVCMEVGQMO-RHSMWYFYSA-N	247.426	4.666	0	10	BJAE	
Cc1ccc([C@@H](N)C2(C)CCCCCC2)cc1C	2037071793	QRKQJMCVIYJOHB-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
N[C@]1(C2=CCCCCCC2)CC[C@@H]2CCCC[C@H]21	2037078246	LYCQHELQODVRAZ-UAGQMJEPSA-N	247.426	4.565	0	10	BJAE	
CC1(C)C[C@@H]1CCCC1(N)C[C@H]2CCCC[C@@H]2C1	2037175400	CWXGUKKVPMVGRU-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]([C@@]2(N)CC(C)(C)CC3(CC3)C2)C1	2037588072	UUFSNEYHIJCUKI-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C(C2CCC2)C2CCC2)C1	2037679827	UVODDWOXVXNMDN-AWEZNQCLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@]1(CN)[C@H]1CCC2(CCCC2)C1	2037688953	BWLBSTVOOYWQMD-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CC[C@@](C)(CNC1CC1)[C@@H]1CCC2(CCCC2)C1	2037702354	KPSGUFAMCOHTPR-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@H]2CCC3(CCCC3)C2)C[C@@H]1N	2037867062	VMYXLGXXZPDDBQ-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@H]2C=CCCC2)cc1	2039439662	ZMCHPAMMBBZJCN-CABCVRRESA-N	243.394	4.968	0	10	BJAE	
C[C@@H](CCNc1cccc2ccccc12)C(F)F	2039980502	ARYPOWKYPJASAV-NSHDSACASA-N	249.304	4.543	0	10	BJAE	
CC1(CCN[C@@H]2CCCC3(CCC3)C2)CCCC1	2041290248	PDTCZHAMINOHJZ-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCC1([C@H](C[C@H]2CCC=CCCC2)NC)CCC1	2045319776	HDBVLZSQBYFKOP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@@H]1C(C)=CCC[C@@H]1C	2045746946	KVXSHJUZISLSDB-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@](N)(C[C@@H]1CC12CCCCC2)C1CCCCC1	2047055830	NVCUTEJMJAXZFH-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H]1CCC[C@H]1CC1CCC2(CC1)CC2	2049847324	APVPCHSGDOYZGP-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@H]1CCCC2(CC2)C1	2049849844	TUXQFPQCUZZIIQ-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC2(CC2)C1)[C@@H]1CC1(C)C	2049858607	RQLCDWCRALOGMT-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@]1(C)C=CCC1	2049998188	SVLPKWWOVVGJBZ-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1c(C)coc1CC	2051409406	QQROYNUPOTWVIM-AWEZNQCLSA-N	249.398	4.547	0	10	BJAE	
CCC1(CC)CCC(N)(c2cccc(C)c2)CC1	2051596720	VBFIGTJNWUZQTG-UHFFFAOYSA-N	245.410	4.529	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1	2051611435	DWGZOWKFKJKEDH-KWJBXHGQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)[C@H]1CCCCC12CCC2	2053410286	DWIZWPGEQAFTSX-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
FCc1ccc(NC[C@@H]2CCC=CCCC2)cc1	2055637936	STJLWCWFSRSZAC-OAHLLOKOSA-N	247.357	4.705	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)CCC1CCCC1	2056874846	ANKOZUPSRJLMTE-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@@H]1CCCC1(C)C	2056875097	CSLHNRUFFBLSEY-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H]1CCC[C@H](C)C1	2056880102	ZMKFJBZVLRJBLY-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2CC3CCC2CC3)CC1	2058991078	GTXNTTLULYRHTR-NXSPZCGBSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCCCC[C@H](NCC)c1ccccc1	2059253337	PRXRTYGLKWHEOY-RCFWFJCLSA-N	245.410	4.864	0	10	BJAE	
CCCCC1CC(NC2C[C@@H]3CCCC[C@H]3C2)C1	2059392936	YOFYALPABJAJDT-PYBGIAKNSA-N	249.442	4.514	0	10	BJAE	
CCCCCC1CC(NC[C@@H]2CC23CCCC3)C1	2059392960	YTQHKBJBCDYMOR-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCC1=CCC[C@@]1(O)C1=CC[C@@H](C(C)(C)C)CC1	2061082247	UOXZBIWPKFGFDY-PBHICJAKSA-N	248.410	4.620	0	10	BJAE	
C=C=CCC[C@]1(CNCC)CCCC(C)(C)CC1	2061560972	MMJPQFSLWFHHKK-KRWDZBQOSA-N	249.442	4.694	0	10	BJAE	
CC(C)CC[C@](N)(CC[C@@]12CCC[C@@H]1C2)C1CC1	2061617455	PILSSXKDUVDTLZ-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
NC1(C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCCCC1	2063487748	RKZFGCZENOUKSN-PHZGNYQRSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2C[C@H]3CCC[C@@H]3C2)C1	2063523758	FNEAISKDPCLIHL-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC23CCC(CC2)CC3)C1	2065339100	KASNVVPWXRTRRM-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC(C1CCC1)C1CCC1)C1(C)CCCC1	2067520090	LIWFFXJSUPAUDS-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2068707707	LEGKDGMEPWFYQZ-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H](N)c2ccc(CC)cc2)CCC1	2069268898	XKATXCOYGISDQP-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
Cc1ccc2c(c1C)CC[C@@H]1CC[C@@H](C)C[C@@H]21	2070297103	DRWFBVVVAVRLNH-HYSWKAIVSA-N	228.379	4.769	0	10	BJAE	
CC(C)=CCC[C@H](C)NC1CC2(C1)CC(C)(C)C2	2070408514	PJOYUMCJISBQJD-AWEZNQCLSA-N	249.442	4.680	0	10	BJAE	
Cc1ccc([C@H](O)CC2(C(C)(C)C)CCC2)cc1	2071903318	FYJSSNMUAYWTPJ-OAHLLOKOSA-N	246.394	4.635	0	10	BJAE	
CN(C1CCCC1)C1CC2(CCC(C)(C)CC2)C1	2071971580	POBMQOAHEYRYNR-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CN[C@H](C[C@H]1CC[C@H](C)CC1)[C@]1(C)C=CCCC1	2072796617	PZXRVLOOBNUDCJ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2CCCCC23CC3)CC1	2072869251	OJACOBJWAIAWHN-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)Cc1ccccc1	2073342125	OGWNPHWWHSHWFV-NVXWUHKLSA-N	247.426	4.566	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cccc(OCC)c1	2073347797	UHYPIXXXWDCBLD-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)[C@H]2CCCC3(CC3)C2)C1	2073785992	GPFKFHZKISITMV-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC1(C[C@@]23CCCC[C@H]2C3)CCCC1	2074030888	WAZKKYXAMFOSKX-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N(C)[C@H]2CCCC3(CC3)C2)CC1	2074853320	CLRQMKZFJQHSGO-GPANFISMSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N(CC)c1cccc(C)c1	2074900260	PXEWGRDDJGHXOL-RDJZCZTQSA-N	245.410	4.790	0	10	BJAE	
CCCC1CCC(C=C2CN[C@@H]2C(C)(C)C)CC1	2076160162	ODUWJUWQIFISNK-XUJLQICISA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@@H]2C2CCC2)CC1	2079334858	YJNNGNGSYNBQAN-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]1C1CCCCCC1)C1CCCC1	2079531423	TZOBQPDPWOWIAH-IAOVAPTHSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1C)[C@@H](C)C(C)C	2082920851	CAJILRXCAIZGLB-YOEHRIQHSA-N	247.426	4.555	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@H]2CC23CCCC3)C1	2082985018	FZPXGPHZRDTKDT-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCCCCCc1ccc([C@H](CC)NC)s1	2210513842	MOSQLLUCXPFQTD-ZDUSSCGKSA-N	239.428	4.541	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1sc(C)c(C)c1C	2211699099	GMNNDAARLRCRSP-NOZJJQNGSA-N	240.412	4.533	0	10	BJAE	
CC(C)(C(=O)CCCCCCC1CC1)C(F)F	2213581644	ZCKFOHTXJAERQM-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCCCCCC1CC1	2213595453	LWXKSIGHLPDQOY-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@@H]1CC[C@H]1C	2215088196	ZPHOEKQJIMQJCK-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)CC1(C)CC(C)(C)C1	2215382756	HCHDEGBDHQYPAV-CZUORRHYSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](CC1(C)CC2(CCC2)C1)NC	2215392198	CKQQSCOCNXRJQM-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(CCCCCCCC1CC1)C(F)F	2216890109	FGQFHPCWKBNZBT-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H](C)NC[C@H](CCC1CCCC1)C(C)C	2217152138	BKVPPNGEPMWUFT-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@]1([C@H](C)CC)CCCC1(C)C	2217155879	GKBMESGMLDQSKF-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@H](CCC(C)(C)C)C1CCC1	2217158092	YHYCWFODGICNRR-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1OC[C@H]1C[C@H]2CCC[C@H](C2)C1	2218326317	AYTPWBBLVKDUEY-MUJYYYPQSA-N	244.378	4.590	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218339074	ZSWLZQDPSRGCRG-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CCCCC1(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218359060	ORQXIJGKYOVURE-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC=Cc1ccccc1	2219043570	JSPNVQZWVBVTOB-MRXNPFEDSA-N	246.394	4.667	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@]1(C)CC=C(C)CC1	2221630540	JMECNJXAFISJKC-DGDBIBOCSA-N	249.442	4.847	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1C)[C@@]1(C)CC=C(C)CC1	2221633040	SLMIQYZETFQMPK-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@]2(C)CC=CCC2)c(C)c1	2221940520	XRXYYOJQMVTICM-KRWDZBQOSA-N	242.362	4.541	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNC2CCC2)CC=C(C)CC1	2223583957	LUNCJIJVPKLMDL-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCOc1ccc(Cl)cc1	2243065629	GCQAWPDXWBVBHS-RYUDHWBXSA-N	238.758	4.545	0	10	BJAE	
CCCN[C@@H](c1cccs1)[C@@H](CC)CCC	2244776173	VRULIMUQXYVMTK-GXTWGEPZSA-N	239.428	4.615	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC[C@H](N)C1CCCCCC1	2247175602	KAEXJOQZQIQDME-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(O)CCCC1(C)C	2248869838	KDBPYPNCNSLZDI-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)c1ccc(C2CCC2)s1	2250279351	RORDOKFVMFHKNX-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
CCCCCC[C@@H](O)CC1CC2(CC(C)C2)C1	2250449152	PFAHSCQZWFWZMN-MYLOQMAZSA-N	238.415	4.534	0	10	BJAE	
C=C=CC[C@H](CC[C@@H](C)CCCC(C)C)NC	2250531048	WNZHLCRSXXPTON-JKSUJKDBSA-N	237.431	4.548	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@]12CCCC[C@H]1CC2	2251119744	VRPRPDVGNGHAEF-OFQRWUPVSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C(=O)c1ccc2ccsc2c1)C1CCC1	2253091376	HDRKCUCXWLYEQF-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
N[C@H](C[C@H]1CCCCC12CC2)C1=CCCCCC1	2253780022	CSMQWHYXYBLTHN-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CCCCC23CC3)cc1	2253814992	VUVYLZTVSFDWEA-HNNXBMFYSA-N	244.378	4.734	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)C[C@@H]2CCCCC23CC3)C1	2253829948	ATOJJUURPJVTBG-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)CCCCC23CC3)C1	2253921298	WGFSVZXFNJFUBV-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](N[C@@H](C)[C@H]1CC12CCC2)C1CCCC1	2256495892	SVQYTWFDUBOPCN-IMJJTQAJSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@H]1C[C@H]2CC[C@H]1C2	2257257564	PQSZXNUTYXEFJT-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(NCCCCC[C@@H]2C[C@@H]2C)c1	2257324515	OBRXCFMSZBMAGW-JKSUJKDBSA-N	245.410	4.932	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@]12CCCC[C@H]1CC2	2260527724	NYHHURYTVSUADI-DOTOQJQBSA-N	246.394	4.807	0	10	BJAE	
O=C(CC[C@]12CCCC[C@@H]1CC2)CC1CCCC1	2260569748	XPKNKGMQMRUMFN-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CCC1(CC)CCCN1C[C@]12CCCC[C@@H]1CC2	2260570826	RJODLIJNBBRUFD-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](C[C@]12CCC[C@@H]1CC2)C1(C)CCCCC1	2260589221	WYAZEXVUDCSWLB-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(C[C@@]23CCCC[C@@H]2CC3)CCC=CCCC1	2260645219	HCLZAOXXBQGPTP-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)C[C@]12CCCC[C@H]1CC2	2260678354	KUKYQLGLDQYBBK-YYIAUSFCSA-N	249.442	4.502	0	10	BJAE	
Cc1nc2c(C)ccc(C(C)C)c2c(Cl)c1C	2300467442	ACWRUNHVLCRNSL-UHFFFAOYSA-N	247.769	4.937	0	10	BJAE	
CCC(CC)CC[C@@H](CNC1CC1)C(C)(C)C	2300677146	WVCXVZKLYRIGTD-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](N)CC1CC2(CCC2)C1	2300686282	OSCORSVELKPUGD-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCn1c(C)cc2ccccc21	2300699663	HQMHRNWWNZUKRD-UHFFFAOYSA-N	229.367	4.776	0	10	BJAE	
CCC(C)=CCC(C)(C)[C@H]1CC[C@H](C)CC1=O	2300867465	MKBLTWSNRYBGAN-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CC=C(C)CC)CC1	2300899693	QMQVKXSLGDIAPK-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CCc1ccc(N[C@@H](C)[C@@H](C)C(C)C)cc1C	2301963005	XYPBTVBVOYMXHR-KBPBESRZSA-N	233.399	4.650	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(C)(C)[C@@H](NC)C1	2307906414	FDDVGROBKUBZFS-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@]12CCC[C@@H]1C2)C1(CC)CCC1	2310881976	CVUSFWJSCMCFKL-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)C[C@H]3CC[C@H](C3)C2)CC1	2311022048	GTRALPPBPRELQD-KTBIRVAVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@H]1C[C@H]1C1CCCCC1	2311610707	ASJXOQGPNANHEJ-DYWXZXKOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)C[C@@]12CCCC[C@H]1CC2	2313342744	REBAJMUSPCBVAJ-CFAJVAMVSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)N(C)[C@@H]1CCC2(CCCC2)C1	2313648513	QCLOWZLRAKFBIG-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CC=CC[C@@H](NCCC)c1cccc(C2CC2)c1	2316510666	WQLZKUDCJRCHSO-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316701416	NOSWEYIWZAOOJA-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)[C@]12CCC[C@H]1C2	2316876186	SNTLJQJUGHGDIJ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@H](N)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316884134	KRKRHBNXIIABSL-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@@H]1CC[C@@H](C)C1	2317568868	XACYFMNDJPVHCK-DGCLKSJQSA-N	245.341	4.525	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1[C@H]1CC(C)(C)[C@H]1C	2318246744	CITDJTQNDGXKJF-TWJWRFFLSA-N	243.394	4.514	0	10	BJAE	
CC1(C)CC[C@H](CCCC2=CCCCC2)C[C@H]1N	2318592958	OGMRAHMXIJEEMV-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H]2CC[C@@H]2C(C)(C)C)c1	2320213122	INEOTFWKYKFXHK-CABCVRRESA-N	244.378	4.558	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CCC[C@H]2C(C)C)CC1	2320230876	KAIOWPBPLZVPAL-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](NC[C@@H](C)C2CCCCC2)CC1	2320238676	XGCROCKYECNIRU-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC(C)=C(C)C1)[C@@H]1CC1(C)C	2320419778	KXRFTMDOBWDVFW-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
CC(C)c1cccc(CN[C@H](C)[C@@H](C)C(C)C)c1	2320606980	WYBNSBXBCYPQQC-LSDHHAIUSA-N	247.426	4.580	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(=O)c1cccc(C2CCC2)c1	2320656038	YFVGXBZZPIJOFH-YVEFUNNKSA-N	242.362	4.573	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)[C@@H]2CC2(C)C)c1F	2327807583	IPZNTYQYZNAJRW-YPMHNXCESA-N	249.373	4.796	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1cc(C)sc1C	20482694	GDJQBJBPMOFGSG-JSGCOSHPSA-N	239.428	4.581	0	10	BJAE	
CC(C)CC[C@H](C)Nc1cccc(Cl)c1	20552606	HXFLFKDYBZSWEL-NSHDSACASA-N	225.763	4.577	0	10	BJAE	
CCC(=O)c1ccc(-c2ccc(C)cc2C)s1	36927449	HQOFBIIAFHTZKK-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
CC[C@@H](C)N[C@@H](CC(C)(C)C)c1ccccc1	37128545	JGTALXWAFKYOCC-HIFRSBDPSA-N	233.399	4.552	0	10	BJAE	
C[C@H]1CCC[C@H](C[C@@H]2CCNc3ccccc32)C1	71158321	UPSXFSRPURHJFG-KKUMJFAQSA-N	243.394	4.802	0	10	BJAE	
CC(C)c1oc(-c2ccc(Cl)cc2)cc1C=O	77078874	FKQCZFXVWBEZDS-UHFFFAOYSA-N	248.709	4.536	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](NC2CCCCC2)C1	78212628	HQUCCJGSCQBFOS-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC(C)(C)C	82673633	VUMHVFUHDYKSKK-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H](CC)C1)c1ccccc1	83828924	UHXNCRAFHHPPBN-UAGQMJEPSA-N	245.410	4.696	0	10	BJAE	
CCC1CCC([C@]2(N)CCC[C@H](C3CC3)C2)CC1	85078615	AGURWXBWFOEXLE-PZJKJEQHSA-N	249.442	4.501	0	10	BJAE	
Fc1cccc2[nH]c(C3CCCCCCC3)nc12	86580459	BGLNPBKUYRKBLY-UHFFFAOYSA-N	246.329	4.530	0	10	BJAE	
Cc1ccccc1-c1ccc(C(C)(C)C)cc1	90398795	RWAGEVSYASTPFD-UHFFFAOYSA-N	224.347	4.960	0	10	BJAE	
CN(C)c1ccc(-c2ccc3ccccc3c2)cc1	95936391	UOQMENVEODFSFA-UHFFFAOYSA-N	247.341	4.573	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCC)c1ccco1	109742705	RBXFLJUFRKLBNI-ZIAGYGMSSA-N	237.387	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](C)CCNC(C)(C)C	132699838	NDCNTVDVWYIWPT-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C=C(CN(CCCC)CCCC)c1ccccc1	143101377	FINIEKBVCTWAAY-UHFFFAOYSA-N	245.410	4.602	0	10	BJAE	
CCCCCC(CCCCC)NC[C@H]1C[C@@H]1C	159012147	HALYUIRVGOQKTD-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)Oc1cccc(NCCCC(C)C)c1	165234427	VQAQYGVSPXFEOU-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
CCCNC[C@](C)(CCC)CCCC(C)C	166077311	UCVFZUISBMOXSE-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CC(C)CCCc1cc(Cl)cc(Cl)c1	197428014	XIAMLGVPIJFENO-UHFFFAOYSA-N	231.166	4.972	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1	220573133	VQQRKFQFTMHNCG-VHDGCEQUSA-N	231.383	4.540	0	10	BJAE	
Cc1ccc(Sc2cccc(Cl)c2)cc1	226206481	GHTRMORRAKEKDN-UHFFFAOYSA-N	234.751	4.800	0	10	BJAE	
Cc1ccc(C)c([C@H](O)[C@@H]2CCCCC2(C)C)c1	226654479	NFBROEHPCRDGEH-HOTGVXAUSA-N	246.394	4.553	0	10	BJAE	
Cc1cc(F)cc(C(=O)[C@H]2CCCCC2(C)C)c1	226793271	BXADXFFKSSALQB-CQSZACIVSA-N	248.341	4.533	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)[C@@H]1CCC[C@@H](CC)C1	227020969	SJTFPBZOOJYGDG-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(c2c[nH]c3c(F)cc(F)cc23)CC1	232822593	WCZYLEPEQVJPOJ-UHFFFAOYSA-N	249.304	4.740	0	10	BJAE	
Cc1cc(Cl)c(Cl)cc1OC1CCCC1	238497720	IYMNJPJYMNRUMS-UHFFFAOYSA-N	245.149	4.623	0	10	BJAE	
Clc1nc2ccccc2cc1C1CCCC1	258658955	SFKZKTJXWBHSLU-UHFFFAOYSA-N	231.726	4.546	0	10	BJAE	
CC(C)(C)CCC[C@H](O)CCC1CCCC1	300947151	WSFZCIBAPDCRFT-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCc1cc(N[C@H]2CCC[C@@H](C)CC2)ccc1C	302334741	SSBBMSWWFOIXCA-CJNGLKHVSA-N	245.410	4.938	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2/C=C/CCCCC2)s1	302337020	DQKCGSWBHHKDKD-RNUUNTDPSA-N	249.423	4.596	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)c1ccc(C)cc1C	302412740	QAEDAMXOCKTOMA-RHSMWYFYSA-N	247.426	4.780	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)C)C1CCCCCC1	306000031	UYIBFAZPDYTAMW-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCc1cc2cc(Cl)cc(Cl)c2s1	306898560	XNSRFFBSVWTNCG-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CSc1ccc2c(Cl)csc2c1Cl	307122273	LDOXSUKLCIMMMB-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCc1sc2c(Cl)cccc2c1Cl	307665519	BMLZTHDQDJRJHY-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CC[C@H](CCC1CCCCC1)CNCC(C)C	310057978	BMBJVAYLJRTAEY-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCC1([C@@H](O)c2cccc(C3CCC3)c2)CC1	310622275	AVGOTPAPWMGJRC-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCCN[C@H](C=C(C)C)C(C1CCC1)C1CCC1	310693623	SPXCAEMGJRLYSY-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CCCNc1nccc2ccsc12	313462664	QCUUDZUXHPWDCZ-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
C[C@@H]1CC[C@](CNC(C)(C)C)([C@@H]2C=CCCC2)C1	317766225	BXXNWIGWXKUVOF-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCNCC1([C@H](C)[C@@H](C)CC)CCCCCC1	319814193	PPIZMQDNRNTKIM-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(CC2(C)CCCC2)C1	380045332	TUOJVFYXMBTROU-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCNCC/C=C\C[C@@H](C)C1CCCCC1	380062150	YJLQYWBNHUCZOS-IYKSTZQJSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCCCCN[C@@H](C)c1cccs1	383160203	PZQHUNDZNQHSFW-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)c1ccsc1	383197352	YDCZUFRCLMYARZ-AWEZNQCLSA-N	240.412	4.562	0	10	BJAE	
CCCN[C@H](CCCCCC(C)C)[C@H]1C[C@@H]1C	383303549	UIVCKSNQJARCRQ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C[C@@H](C)[C@H](N)c2ccccc2)CC1	385260753	VNCUBCRYPOVJAI-BJDYSFLHSA-N	245.410	4.539	0	10	BJAE	
CCC1(CN[C@H](C)CCC(C)(C)C)CCCC1	393866813	PXLXEHSFOQKZOZ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)C/C(=C/C1(C)CCCCCC1)[N+](=O)[O-]	394631751	ILYLGCFNDDIHRM-QBFSEMIESA-N	239.359	4.554	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)C(CC)(CC)CC)C1	395115031	FSQIULFCCADZAX-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCc1cc2c(CC)cc(C(F)F)cc2s1	396165153	DDCZSXDARKGXCM-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
Cc1cc2cc(S)c(C(F)(F)F)cc2s1	396308954	SKPJESYDYKQZOD-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCCc1ccc(N[C@H](C)[C@@H]2CC2(C)C)cc1	397604493	GXUBJXVTCMAPEF-CJNGLKHVSA-N	245.410	4.876	0	10	BJAE	
C[C@H](COc1cccc2ccccc12)C1CCC1	398623768	GYKQJDNJBHMTLH-CYBMUJFWSA-N	240.346	4.655	0	10	BJAE	
C[C@H]([C@H](O)c1csc2ccccc12)C(C)(C)C	399156598	KXYXBVMGXNLMKV-YGRLFVJLSA-N	248.391	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccc(C3CC3)cc2)C1	690078469	GSQMRRUFIDFVCI-BLLLJJGKSA-N	229.367	4.555	0	10	BJAE	
C[C@H](CNc1cccc(F)c1Cl)C(C)(C)C	690268682	ROFNIYPQLJFVLE-SECBINFHSA-N	243.753	4.573	0	10	BJAE	
Fc1cccc(Cl)c1CC1CCCCC1	694974169	MPIXOUQHGUMCFY-UHFFFAOYSA-N	226.722	4.602	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)CCc1cccc(C)c1	696598775	NQHJZDLZHHJONM-INIZCTEOSA-N	248.410	4.505	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C2(C(C)C)CC2)cc1	697658303	YCDALWUOZDXSTC-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC(C)=CCCCc1cccc(C(F)(F)F)c1	698003174	GGQPVWLCTYNEBJ-UHFFFAOYSA-N	242.284	4.994	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@@]1(C)CC1(C)C	702199514	AKJUMDDTKOIXRI-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C1(N)CCC2(CCCC2)CC1	704446044	URGZOHCIIHCOPQ-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
N[C@@]1(C2CCCCCC2)CCCCC12CCCC2	704487296	MCRGVRBMSZJPTE-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1C[C@H](C)CC(C)(C)C	709102860	NELCOYGGADYDNB-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)C[C@H](C)CC(C)(C)C	709107529	QQOYJJPOWCEUDZ-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C[C@H](O)C(C)(CC)CC)C(C)(C)C	711066499	MWNLOCIOJOGUBU-OLZOCXBDSA-N	228.420	4.636	0	10	BJAE	
CCN[C@H](C[C@@H](CC)C(C)(C)C)[C@@H](C)C(C)C	711162218	KXGJVDCIMVAJRG-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](CNC(C)(C)C)C[C@H](C)C(C)(C)C	711178194	XVZIHUOAXYFDMZ-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](CNC(C)C)C[C@@H](C)C(C)(C)C	711185163	UUVCSPVQAJDORB-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@@H](C)C(C)(C)C)C(C)(C)C	711193391	RQCYCVXTHPTBOJ-MGPQQGTHSA-N	241.463	4.848	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2C[C@@H]3CCCC[C@@H]32)c1	712383990	HGOZOFXMNUTAET-SGMGOOAPSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)C[C@@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	713126004	MQIRNZBUCCYAIY-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)C[C@H](CN)C1CCCCCC1	713137877	CGNHMWLUFADDIA-OAHLLOKOSA-N	239.447	4.604	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)c1sccc1C	713700833	JXHRPRHSHZTNJQ-PSKZRQQASA-N	249.423	4.620	0	10	BJAE	
C=C/C=C\CC[C@@H]1CCCCC[C@H]1CNC(C)C	713712949	XSOHWTMRBCDNIS-DJAVDHGHSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)c1ccoc1C	718529545	UNRCLBFEKVCHDD-MRXNPFEDSA-N	249.398	4.765	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C(C)(CC)CC	721672009	LHCUKNYTSDKCSJ-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
C[C@H](SCC1(C)CCC1)c1cccs1	1613570204	CKQMNXDTIUZVON-JTQLQIEISA-N	226.410	4.733	0	10	BJAE	
CCC(CC)N(CC)Cc1ccc(C2CC2)cc1	1621365840	ABJWUAADJFKKEK-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CC[C@H](C)CSC[C@@H]1CCC[C@H](C)C1	1643785080	FUGDETXDKXISGG-RWMBFGLXSA-N	214.418	4.592	0	10	BJAE	
CC[C@@H](C)CSCc1ccc(C)cc1Cl	1652723034	AXFXAKHPBQMFHP-SNVBAGLBSA-N	242.815	4.928	0	10	BJAE	
CS[C@H](C)C(=O)CC[C@@H](C)CCCC(C)C	1899733888	JUWBZPZRCAQRNF-QWHCGFSZSA-N	244.444	4.550	0	10	BJAE	
CS[C@@H](C)C(=O)CC[C@@H](C)CCCC(C)C	1899733891	JUWBZPZRCAQRNF-STQMWFEESA-N	244.444	4.550	0	10	BJAE	
CCCC(CCC)[C@@H](O)CCC(CC)CC	1900696027	HPXAKXWXIGOECM-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CC(C)CCCc1cccc2c1CCCC2	1901882977	NFQKOKLSFUYTND-UHFFFAOYSA-N	216.368	4.544	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@H]1CCCC(C)(C)C1	1911268658	OBZRJHUPBRZHDK-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC(C=C(CNC(C)C)C(C)C)(CC)CC	1911868969	SHFXFCJGCQJFIX-UHFFFAOYSA-N	239.447	4.783	0	10	BJAE	
CCC(C)(CC)C(=O)CCC=Cc1ccccc1	1911966655	CJTXCFLRLNVXMY-UHFFFAOYSA-N	244.378	4.875	0	10	BJAE	
CC=CCC1(CNC2CC2)CCC(C(C)C)CC1	1912136171	ITMZGOFNZWTKRO-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)C2CC3(CCCC3)C2)C1	1912645592	LEKCQPAMEZNOQK-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](N[C@H]1CCC2(CCCCC2)C1)C1CC1	1915926128	VZGRTFZGOAJKMQ-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCC3(CCCC3)C2)[C@@H]1C	1916432109	XQRIHZQPUMETEO-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC[C@](O)(C[C@@H](C)C(C)(C)C)c1ccc(C)cc1	1919871901	KODHZFDFOLAGRJ-PBHICJAKSA-N	248.410	4.665	0	10	BJAE	
CCC(C)(C)CC[C@@](O)(c1ccccc1)C(C)C	1919924070	CQULSVPZLMNVGK-KRWDZBQOSA-N	248.410	4.747	0	10	BJAE	
CC(C)C[C@H](C)C[C@](O)(c1ccccc1)C(C)C	1919933611	HLSAUIKFXMVBEK-DOTOQJQBSA-N	248.410	4.603	0	10	BJAE	
CC(C)(C)CCC[C@](C)(N)CCc1ccccc1	1920436196	SNVPHNQRJYDLRU-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)CCCCCC1(C)C	1921538211	FPXGOJAORYAKCX-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@@](C)(CCCC(C)C)C1CCCC1	1924119580	RAWPICZQCQPCAN-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@H]1C=CCCCC1	1925761735	VLENKICWGBTVQI-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@@H]1C=CCCCC1	1925775735	WZVFMHUNIVJKJI-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCCc1cccc(C[C@@H]2C=CCCCC2)c1	1925831805	CRQKOKMMNKZDRS-MRXNPFEDSA-N	228.379	4.928	0	10	BJAE	
C[C@H]1C[C@H](NC[C@@H]2C=CCCCC2)CC(C)(C)C1	1925832831	HERROTUDLNTVEX-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)CC(=O)c1cccc2sccc12	1938276475	BLSRSYMUINLYGW-JTQLQIEISA-N	232.348	4.520	0	10	BJAE	
CCCC[C@@H](CCCC=C(C)C)NCCC	1939109575	AUXBIDOTEAVNGI-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CCCCC[C@H](N)[C@H]1CCCC(C)(C)CC1	1939902361	CUZIMUKKZUPEEL-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)C1CCCCCC1	1940245360	XFHGSECTTHXKIP-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC[C@](N)(CC1(C)CCCCC1)[C@@H]1CC1(C)C	1940409013	MWXQTMPPMKKBHI-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](C)c1cccc(N)c1	1940976469	MWWJUNVYNIEZLP-ZENOOKHLSA-N	231.383	4.589	0	10	BJAE	
CC[C@@H](C(=O)C[C@H](C)C1CCCCC1)C(C)C	1941267269	PVSNWZVHIMTSSJ-DZGCQCFKSA-N	238.415	4.844	0	10	BJAE	
CC(C)N[C@@H](C)[C@@H](C)CC1CCC(C)(C)CC1	1941690991	WKQUUWNAKAOMMY-KBPBESRZSA-N	239.447	4.616	0	10	BJAE	
CCC1CCC(C(=O)[C@H](C)CCC(C)C)CC1	1942653581	RUYIZWQURRWBIR-WLYUNCDWSA-N	238.415	4.844	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)c1cccc2ccsc12	1944608818	CIENTKMCMCVWJX-CQSZACIVSA-N	248.391	4.617	0	10	BJAE	
CCN[C@H](CCCC1CCC1)C(C)(C)C(C)C	1944668964	UDXNYVWEWJUYRC-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CCC[C@@H]1C)CC(C)(C)C	1944790168	MEKYNWKOQVTFRS-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](C[C@H]1CCC[C@H]1C)NCCC	1944822032	YBNFGDBGEPOWOM-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@](N)(c1cccc2sccc12)C(C)(C)C	1945962370	SPSWDCQZNZHLBW-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CC(C)(CCC[C@@H](N)CC1CCCC1)C1CC1	1949870585	PFNYNIFHPUPPNQ-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@]1(CO)CCC[C@H](C)CC1	1950909911	BCEORFNEYRUIAP-HOCLYGCPSA-N	240.431	4.782	0	10	BJAE	
CC1(C)CCC[C@](CO)(C2CCCCC2)CC1	1950910585	HYFVGCVCECPQKI-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1C(C)=CCC[C@@H]1C	1951006339	NFFJFKDZFOBZOX-KKUMJFAQSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CCC[C@H](NC2CC[C@@H]3C[C@H]3CC2)CC1	1966012228	PXCWOYYYIDCMFU-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCC1)Nc1cccc(C2(C)CC2)c1	1967833062	XEUNRJNFLRDQFM-CYBMUJFWSA-N	243.394	4.729	0	10	BJAE	
CC1(c2cccc(NC3CCCCCC3)c2)CC1	1967833184	YXJGOZGOCZZTQI-UHFFFAOYSA-N	243.394	4.873	0	10	BJAE	
Cc1ccc(NCC2CC(C(C)(C)C)C2)cc1C	1968254130	BNNOSKQMKRNKOQ-UHFFFAOYSA-N	245.410	4.788	0	10	BJAE	
CCCCN(CC)Cc1ccc(C(C)(C)C)cc1	1968351565	KISZZDLSWZQGBM-UHFFFAOYSA-N	247.426	4.606	0	10	BJAE	
CC[C@H](C)CCN(C)Cc1ccc(C(C)C)cc1	1968378353	YKHZUEYLJLAPCR-HNNXBMFYSA-N	247.426	4.678	0	10	BJAE	
Cc1ccc(O[C@H]2CCC3(CCCC3)C2)cc1F	1968596145	QUOAYBBKVBCLQJ-AWEZNQCLSA-N	248.341	4.626	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NCc1ccccc1C(C)C	1969916711	CZNOCNRCPIWTFP-HUUCEWRRSA-N	247.426	4.724	0	10	BJAE	
CCC[C@H](NC1CC2(CCCC2)C1)[C@H]1CC1(C)C	1972924691	NTDMLGOWLSSCIS-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C[C@H]1CCN1[C@H]1CCC2(CCCC2)C1	1973455406	XUYPZQUKCLPKOZ-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CCCCC1CC(NC[C@@H]2CCCC23CCC3)C1	1973657054	AYYKZOIZRWUBBH-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCCCN(C)[C@@H]1CCCCC12CCCCC2	1974448508	BFBGZDQUDQDOSP-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CCC[C@H](C)C[C@](C)(N)C1(C)CCCCC1	1975575192	SIHOWTJBOAXHMK-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1)C1CC(C)(C)C1	1977369937	YUWXHCJRWQAEHN-JTQLQIEISA-N	237.774	4.577	0	10	BJAE	
CC[C@@H](C)[C@H](C)NC1CCCCCCCC1	1980336452	JZDZSNWKORMETJ-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CC1CCC(CCC(=O)c2cccs2)CC1	1980686904	HQZMWARIPLWOSR-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)c2cccs2)C1	1980686925	HWSFGPAQRTUMOR-NEPJUHHUSA-N	236.380	4.537	0	10	BJAE	
C1CC1=C1CC(CC[C@H]2C[C@H]3CC[C@H]2C3)C1	1985534496	JZJGNUNJYJMYEE-CQDKDKBSSA-N	216.368	4.703	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC1(C)CCCC1	1986937493	JNNHRHJRKZSLAF-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC1(C(=O)c2cc(C)sc2C)CCC1	1988462282	SKBDWGYGJFHWNN-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCCCC[C@@H](O)C1(C(C)(C)C)CCC1	1989457454	UBNCKJHRUDULMX-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](CC)NCc1csc(C)c1	1990100652	UHIVSQZQODTLTP-CQSZACIVSA-N	239.428	4.505	0	10	BJAE	
Cc1cc(Cl)cc2cc(C3(C)CCC3)[nH]c12	1994131970	YBQWIUIGTIVWIU-UHFFFAOYSA-N	233.742	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C2CCCCC2)CC1	1997107383	BKIPQZMHIHBIEL-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNCCCC(C)C)CC1	1997213938	HLDNVGSEWCOJTN-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](O)(C1CCC1)[C@@H]1CCCC(C)(C)C1	2000040238	CDVJPYHQHBFLSS-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCC(F)F)C(CC)(CC)CC	2000375552	CZBYVHRDGWOFDB-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2001495662	YJCSZXBNQOMQOR-RRFJBIMHSA-N	236.399	4.598	0	10	BJAE	
CCCCCC1CCC([C@H](N)CCCC)CC1	2003066785	IAVHQXMLIUZUBD-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](N)C=C(C)C)CC1	2003067122	NKRFVILYSQVWAN-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CCCC(C)(C)C)[C@H]1C	2006980311	OMEWUBOZWMTXCI-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC(N)(CCC)CC1CC(C2CCC2)C1	2007747326	SCCUHJKZHMGMKO-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@@](O)(C=C1CCCCC1)CC1CCCCC1	2007923843	WLULBQVNDDSJRI-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCC1(O)CCCCCCCCC1	2009592835	LPHWWWIVYRLWLT-NSCUHMNNSA-N	238.415	4.988	0	10	BJAE	
CC=CCCCNCC1(C)CCCCCCC1	2009598134	KWPRUCHHXTVPLF-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C(C)(C)C(C)C	2009630360	WBBVSRJHCHTJTN-OAHLLOKOSA-N	239.447	4.783	0	10	BJAE	
C=C=CCCC[C@@H](NCC)c1ccccc1Cl	2010994585	HOUMAXCDTXMRQR-OAHLLOKOSA-N	249.785	4.502	0	10	BJAE	
O=C(CC[C@@H]1C[C@@H]2CCC[C@@H]2C1)c1cccs1	2011947798	PSCHMZIGTJVGBA-CLLJXQQHSA-N	248.391	4.537	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCC[C@@H]1C(C)C	2013262672	CPIFEWKCWNBJHR-BZUAXINKSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@@H](C)[C@@H](C)C1	2013264705	PCIRKIADGZVTJC-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C=C1CCN[C@H]1C(C)(C)C)CC	2014550597	UBJSRLQWNSDEBE-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)C(C)C)C1CCCC1	2015410454	VKXVRVQWFIWCTF-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H](CC2CCCC2)NC)CCC1	2015639668	JGUVOAOMNGMWCW-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)[C@H](CC1(CCC)CCC1)NCC	2015640418	RUFUMXYECBTPRS-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@@](O)(CC2(C(C)(C)C)CCC2)C1	2017114411	LKGBMQICDCRCOQ-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(F)CNc1cccc2ccccc12	2017463138	HVDYBNKMPIGAMJ-UHFFFAOYSA-N	229.298	4.515	0	10	BJAE	
CC(C)=C(F)COc1ccc(C(C)(C)C)cc1	2017468857	AIBRURGUOQBHRR-UHFFFAOYSA-N	236.330	4.626	0	10	BJAE	
CCCC1CCC(C[C@@H](C(C)=O)C(C)C)CC1	2017770942	VXFXGSWRKDMRLK-UYSNPLJNSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1(C(C)(F)F)CC1	2018132794	XEKIBJGDCZSHCO-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
C/C=C/CCC[C@@H]1CC(C)(C)C[C@@H]1NCCC	2023607669	BDWZWYBJXHDAKC-ZWXLGZMVSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C[C@H]1CCCC(C)(C)C1	2024092096	OBZRJHUPBRZHDK-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCCC(C)(C)C1)C1CCC1	2024092680	UASHCNZNDMZRQY-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)C[C@@H]1CCCC(C)(C)C1	2024094852	NCGWRHYDAGLUTG-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@H](CCC1(F)CCC1)NCC	2025277279	LCJMQNVXIGNVCD-AWEZNQCLSA-N	243.410	4.607	0	10	BJAE	
CCNC[C@@]1(CC2(C)CCCCC2)CC=CCC1	2027303285	CXQVBONWSBOFBW-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCc1ccccc1[C@H](N)CC1(C)CCCCC1	2027310615	CGZPVXJZOAQWRS-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NCC)c1cccc(C)c1	2028253329	VWXBMEIAMMXOJT-DLBZAZTESA-N	247.426	4.718	0	10	BJAE	
Cc1cc(N)c(F)c(-c2cccc(C(C)C)c2)c1	2028918729	NXVQBLJNFGAKOR-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1ccc(C2CC2)cc1	2029076637	AXVLMBLBVAXZEZ-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)C[C@@H](C)c1ccccc1	2029835668	HJTBMMTUZBTDTM-UXLLHSPISA-N	248.410	4.613	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@H]1CCC[C@H]1C	2032513904	KCNIUEKCOFILQX-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@@]1([C@H]2CC2(C)C)CCC=CCCC1	2033628690	FLLSVADBEBKSEC-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CC[C@H](CC)C1	2035591573	LWKYWPGSAPTTMP-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
NC1(C2=CCCCCCC2)C[C@@H]2CCCC[C@H]2C1	2037076772	FXRVMXWDYDLJBG-GJZGRUSLSA-N	247.426	4.565	0	10	BJAE	
CC1(C[C@H](N)[C@H]2CC23CCCCC3)CCCCC1	2039082417	QGHQIDMGERNCBV-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@H](CNC[C@@H]2C=CCCC2)CC1	2039380031	FEFCVHAHWPSJFQ-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)C1CCC(C)CC1	2040633031	KQQAKPCVYIQHGY-HRDQMINSSA-N	249.373	4.761	0	10	BJAE	
C1=C(CN[C@@H]2CCCC3(CCCCC3)C2)CCC1	2040765598	SBNSLBFBVIAHDV-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@H](NCC2(C)CC=CC2)C1	2042077060	XEJBZEZIEKVINF-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@H]1CCC=CCCC1	2045306656	BBSOOTAONJLWFG-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C[C@H](N)C[C@H]1CCC=CCCC1)C1CC1	2045324284	UCKHIAIDUPUNKV-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)[C@@H]2CCCC3(CC3)C2)C1	2045391883	QHJWINVFGLDMQR-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CCC1=CCCCC1	2045680021	CUIBIEYRXOUYLO-WMLDXEAASA-N	246.394	4.829	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@@H]1CC12CCCC2	2047014874	FAGAGGHWTGXVIT-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C1CCCCN(C[C@H]2CC23CCCCC3)CCC1	2047023088	JPTMYLDBKSNBCZ-MRXNPFEDSA-N	249.442	4.613	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)C[C@H]2CCC23CCC3)C1	2047932599	NPFHOLLWDWCHFV-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048467951	YPGHIRMOJMSKDV-FVQHAEBGSA-N	246.394	4.662	0	10	BJAE	
CC(C)(C(=O)[C@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2049195921	UTDQVOPFXXJLCE-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
C[C@H](NC1CCC=CCC1)[C@@H]1CCCC(C)(C)C1	2049533779	SXDHXRUOPNAKNC-LSDHHAIUSA-N	249.442	4.680	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2CCC[C@@H](C)C2)c(C)c1	2049537974	WCCNXYPWKGEHKJ-WQVCFCJDSA-N	245.410	4.930	0	10	BJAE	
CN[C@@H](C[C@@H]1CC12CCCC2)CC1(C)CCCC1	2049805358	XXZGFWOLUDZQOZ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC1C2CCCC1CCC2	2050041491	IWYACFRQQNQBEE-STXJZCLZSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CC(=O)c1ccccc1F	2050495151	QBHPIYXFBMTOJW-QWHCGFSZSA-N	248.341	4.615	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@H]1CCCCC12CC2	2053358805	QEAWQRUGZRJOIG-OAHLLOKOSA-N	246.394	4.662	0	10	BJAE	
CC1CCC([C@H](C)N[C@H]2C=CCCC2(C)C)CC1	2055528337	REVGXASTUULNBM-GRAKBVBRSA-N	249.442	4.536	0	10	BJAE	
CC1(C)C[C@H]1CCCC1CC2(CCC(N)CC2)C1	2056622068	YSYDDVJQFGVZSF-NUHCZIBGSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C[C@@H](O)c2ccccc2C(C)C)C1	2056658188	VYMIYRZQABICGE-MQBCKMQZSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@@H](CC=C1CCCC1)c1ccccc1	2056872894	ILOOHERAUVHNNN-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C[C@@H]1CCC[C@H]2C[C@@H]12	2057352551	CTNRAFRWTQPUIR-YXWQFLTLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C1CC(C2CC2)C1	2057826147	IEVAXMWJIRIDDB-OFLPRAFFSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C1(C)CCC2(CC2)CC1	2059171675	JNVLYPYNCILEQR-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)C1(CC)CC1	2061088034	KBXSUKPIXSKMTB-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
C1CCCC(CCNCC[C@@]23CCC[C@@H]2C3)CC1	2061571419	KIWABNYIEPTJIJ-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NCC[C@@]12CCC[C@H]1C2	2061575122	OURYVMNYXARCCF-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)CC2CC(=C3CCC3)C2)CCCC1	2061701226	HZYOSGAEZOXQTA-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CCC(CC)(CC)[C@@H](CC1CC(=C2CC2)C1)NC	2061737481	RKVDSKMYMBKEKQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2C[C@@H]3CCC[C@@H]3C2)c1	2063471241	JQLICIIEMXGJFP-PHZGNYQRSA-N	243.394	4.542	0	10	BJAE	
CCCC[C@@H](CC)NCC1CC2(C1)CC21CCC1	2064083007	MGEMMWWRXQFGEC-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@H](C)[C@@H]1CCC1(C)C)c1ccccc1	2068286371	FFIDSYIKESECQO-KBMXLJTQSA-N	245.410	4.552	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068768172	ICIWPIDTFGEJRB-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@]1(C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCN1	2068771989	PMBOBDUFDHGOKR-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1C(=O)CC(C(C)C)C(C)C	2068986747	LVGOWBMJINQYHL-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CCC2)C1(CC)CCC1	2069193816	OXGORQXKHJREGJ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)c2cc(C)cc(C)c2)CCC1	2069268331	PPCXCPFZLYXHJI-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@H]2C2CCC2)ccc1C	2071786645	OKZDOVCARMZBDC-DLBZAZTESA-N	243.394	4.548	0	10	BJAE	
Cc1cccc(C(=O)CCC2(C(C)C)CCC2)c1	2071914102	YXRNJQPOALVVOI-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)CC[C@H]2C[C@@H]2C)cc1	2072081596	KWRCHZQJUXXCQD-MGBSGCIJSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H]2CC=CCC2)CC1	2072681138	FKIFFCBXJJPKAX-JYJNAYRXSA-N	248.410	4.908	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCC23CCCC3)CC1	2072804777	WDEISMICPIMXCZ-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cc(C)c(O)cc1C	2073344680	DSLWWCSHYJRBFN-CQSZACIVSA-N	249.398	4.780	0	10	BJAE	
CC(C)CCN(C1CCCC1)[C@@H]1C=CCCCC1	2075402190	UVMZPFUETWTYCC-MRXNPFEDSA-N	249.442	4.776	0	10	BJAE	
CN[C@@H]1[C@@H](CC2CCC=CCC2)CCCC1(C)C	2076393541	STBIRWQAPQBGAK-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
c1ccc(C2CCC2)c(NC[C@]23CCC[C@H]2C3)c1	2077263138	LLCYZAITSAYQHK-WMLDXEAASA-N	241.378	4.556	0	10	BJAE	
CCCCc1ccc([C@H](O)C(C)(C)CCC)cc1	2077922215	FABBVQFQOXPYSF-INIZCTEOSA-N	248.410	4.889	0	10	BJAE	
CCCCCc1ccc(C(=O)C2(CC)CCC2)o1	2077976087	OVUSHOIPQPPUTE-UHFFFAOYSA-N	248.366	4.775	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079628900	PJZMPWFRETWJIK-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CCC)[C@@]1(C)C=CCC1	2079645153	PKZIJODBOKZGEE-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
NC1(C[C@@H]2C[C@H]2C2CCCC2)CCCCCCC1	2079665991	OQKTZUFFBVGYPI-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@]1(N)CCCC12CCCCC2	2079860836	CPRZWDUBZQUKKX-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1C[C@@H]1c1ccccc1	2079868264	XHTNDCNNEQTJMC-NVXWUHKLSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)C23CCC(CC2)C3)C1	2082980211	TUAYGMASDYGSPA-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)Cc1cccc(C)c1	2085941031	NILXCOSCPPDBPV-AWEZNQCLSA-N	246.394	4.713	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)C[C@H]3CCC[C@H]2C3)C1	2086157675	NUTQEXALKUPELY-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CCCCC1CC1	2211113399	SYLCZIGEVWNNFR-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)C[Si](C)(C)C	2212596685	KEEPNIFDHMTMRK-ZDUSSCGKSA-N	243.511	4.519	0	10	BJAE	
CN(CCCCCCC1CC1)C1CCCCC1	2213578309	KRCAARPNOCQAKR-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
C[C@H](CC(=O)CCCCCCC1CC1)C1CC1	2213578596	NWIPNNRXIBKGDZ-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216258462	PWZDXLFWJKBNOF-BYNSBNAKSA-N	239.447	4.616	0	10	BJAE	
C[C@H](CC(=O)CCCC(F)F)C1CCCCC1	2216408766	TXSRPIDCRUOJOB-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1c1nc(Cl)cc2ccccc12	2217019888	BZJYTQPROLCTDZ-QWHCGFSZSA-N	245.753	4.648	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC(C)C)CCCC[C@H]1C	2217153735	OAOASGHASOIALG-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)CCCCC(F)F	2217155163	ZZXTVOPFPDDCHD-GXTWGEPZSA-N	249.389	4.616	0	10	BJAE	
CC1CCC(C(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218308885	IAHWZQJVDRLFEO-OQVSOFDRSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@H](N)CC2C[C@H]3CCC[C@H](C2)C3)CCC1	2218321919	HRURWEYYMIVNJX-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218357263	QDVMTHBQTUEONN-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC1(CCC(=O)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218386877	YVPCGJAETWJKRC-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)C1(C2CC2)CC1	2218732921	SKBNPOPNDXDZBR-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](NC[C@H]1CC[C@@H]1C)c1ccccc1	2220598907	KOSACZZXZRWAKD-UAGQMJEPSA-N	245.410	4.554	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@@H](N)c1ccccc1C(C)C	2220962578	RITRUWQIOYWPRH-JJRVBVJISA-N	245.410	4.636	0	10	BJAE	
CN(CC1(C)CC2(CCC2)C1)C1(C)CCCCC1	2221082750	ZVBSPHWQRJGXMZ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(=C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@H](N)C(C)C	2222947515	AQBYPHDTKBXRHD-LUKYLMHMSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC2(C)CCCC2)C=CCC1	2223598344	UGAOPNFXBXHJPX-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)C[C@@H](NC)c1cccc2ccoc12	2224202366	MIRGMWFESWLDJO-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CCCC(C)(C)C(=O)CCCC[C@H]1C[C@H]1C	2243023972	DBOANCGPYAHBBK-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
FC(F)c1ccc(CC2=CCCCC2)cc1	2243246146	XJVPIQRRKZPROK-UHFFFAOYSA-N	222.278	4.667	0	10	BJAE	
CCC[C@@H](CO)CC[C@@H](C)CCCC(C)C	2244846531	DMVCMGITNLAWLT-LSDHHAIUSA-N	228.420	4.638	0	10	BJAE	
CC(C)NCCC=CCC[C@H]1CCC[C@H](C)C1	2246687050	LLQCBGILZRXDHW-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](N)(CC)CC[C@@H]1CCC[C@@H](C)C1	2246733826	RZTPYAHSZFPATJ-OWCLPIDISA-N	239.447	4.891	0	10	BJAE	
Cc1cc(-c2sc(C)c(C)c2C)c(C)cc1N	2246815969	PMAPXNSMLUTZBK-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CCC2(C)C)CC1	2247441255	NPQMXPMMADKWEL-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@H](CC)C(C)C	2247531881	PHCMSIVORZNHPA-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@@H]1[C@@H](C)[C@H]1C	2250483414	ZQXHCXFBHUXMHN-TTZDDIAXSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN1[C@@H](C)CC[C@H]1C	2250519989	YZWLWPYCGBNMTN-OAGGEKHMSA-N	239.447	4.712	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@]12CCCC[C@@H]1CC2	2251210140	DIYVWZWGXIMVIB-SQWLQELKSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCc2sc(-c3ccc(C)cc3)nc21	2252759620	TVHLJSRZDAJRSA-NSHDSACASA-N	243.375	4.558	0	10	BJAE	
CC[C@](N)(c1ccc2ccsc2c1)C(C)(C)C	2253066039	UIMZKBYOKWKSLH-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCCC23CC3)CN1	2253887558	XLNWXHCKLXESAT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1(CNCC[C@@H]2CCCCC23CC3)CCC1	2253890846	MPPVXXRTXFVWMO-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCNC[C@]1(CC[C@@H]2CCC[C@@H](C)C2)C=CCC1	2253940070	XRMOWMJPZJOMMZ-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2CC3(CCCC3)C2)C1	2254041006	HACXDOJTPWZHFU-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(C(=O)CCCC[C@@H]2C[C@H]2C)cc1	2254606540	GACKWSMSCHEAMB-CZUORRHYSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC[C@H]1CCCC12CC2	2255232564	GDPPKAKBOMIAFV-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](O)Cc1ccc(CCC)cc1	2256232381	UFSBJGIPTIXASS-KRWDZBQOSA-N	248.410	4.513	0	10	BJAE	
CC(C)(C)c1cccc(NCC2(CF)CCC2)c1	2257877682	HCFDTKPJFADFST-UHFFFAOYSA-N	249.373	4.536	0	10	BJAE	
CCC[C@H](CC)[C@H](C/C=C/c1ccccc1)NC	2259440407	FJOLEWGFZBBROW-MQZKNQHPSA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@]12CCCC[C@H]1CC2	2260489131	KEYYWANNIWRCIU-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@]23CCCC[C@H]2CC3)cc1C	2260620853	LDRRAIUJVUTJQC-DOTOQJQBSA-N	243.394	4.686	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@]12CCC[C@@H]1CC2	2260625733	PYYKDOCWTKFVKV-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2ccn([C@H](C)CC3CCC3)c2c1	2298935695	KEGIDCMOXLHWQP-CYBMUJFWSA-N	227.351	4.701	0	10	BJAE	
CCc1cc(-c2ccc(Cl)c(O)c2)ccc1C	2299627297	PLABIDYRBWLHFF-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
C[C@@H]1[C@@H](Nc2cc(C3CC3)ccc2Cl)C[C@H]1C	2300674463	VBEZUAIIDKIBIO-BFVZDQMLSA-N	249.785	4.674	0	10	BJAE	
CCC(CC)CC[C@H](O)CCC1CCCCC1	2300682383	YNLKXNXQFRQHHR-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)C(F)(F)CC	2300687301	ASYUFHFRXXCWCO-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@]1(N)CCCCCC1(C)C	2301841620	WLBSAMBCJBGZRR-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@]1(O)CCCC(C)(C)CC1	2301865588	YFQNSDCLRFAYGM-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@@H](C)[C@H](C)C(C)C	2301957986	GYKBGRIXADUFQO-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CN[C@H](CCC[C@H]1C[C@@H]1C)CCC(C)=C(C)C	2302608844	BNUUYWLLUIQHOK-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC[C@@H]1C[C@H]1CC)NC	2303587818	OVHNMPFHSISWCS-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304436542	SQNOCALRVBENSO-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CC[C@@](C)(O)c1ccccc1	2307821941	JWLBPKDRYVTESK-GOEBONIOSA-N	234.383	4.501	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@@H]1C)C1(C)CC=CC1	2310433870	NISVSNDHAGEUJX-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C[C@@]23CCCC[C@@H]2C3)CC1	2311148851	CDQSJVYTWGMMPN-VVLHAWIVSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CC[C@@H]1C[C@@H]1C)c1ccccc1C(C)C	2312457589	GUNSSIHWDSOTMF-VBQJREDUSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2313322414	HHMYONVRBMZRSN-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)[C@@](O)(C[C@@]23CCCC[C@@H]2CC3)CCC1	2313345619	JEANCYGBTQIDLD-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC1CC(C2CC2)C1	2315882123	AOCZWIWQMMQPPY-UHFFFAOYSA-N	243.394	4.719	0	10	BJAE	
CCC(CC)CCC(=O)CCc1ccccc1C	2316243081	LBTQHRTVCZMZGM-UHFFFAOYSA-N	246.394	4.713	0	10	BJAE	
CC=CC[C@H](NCC)c1ccccc1CC(C)C	2316500543	AOXJHGITXMDJEN-KRWDZBQOSA-N	245.410	4.502	0	10	BJAE	
CCC[C@@]1(CNC(C)(C)C)C[C@H]2C=C[C@H]1CCC2	2316664490	GSUYPJRSISSVKK-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc([C@H](N)[C@H](C)[C@H](C)C(C)C)cc1	2317825231	WIVYEPPORIQOQB-CKEIUWERSA-N	247.426	4.567	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cc(F)ccc1C(C)C	2317914730	FVGTUHTUIQYZRC-DOMZBBRYSA-N	249.373	4.940	0	10	BJAE	
O=C1C[C@H]2CC[C@@H](C2)[C@H]1CCCC1=CCCCC1	2318507139	QHPBIYKGYIJJCC-HRCADAONSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CC[C@@H](N)[C@H](CCCC2=CCCCC2)CC1	2318537042	DBULJZKRAAEVLK-USXIJHARSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)C[C@@H]1CC1(C)C	2318589551	RKUDBLNOHATDCJ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)CC2CC3(CCC3)C2)C1	2319119664	WQUHQBSRSVBYBK-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@]2(C)CC=CCC2)CC1	2320326652	GZPUSIZWQXDFAZ-BRWVUGGUSA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](O)c2ccccc2C)CC1	2320328733	GCCITALIRRVWQG-WBVHZDCISA-N	244.378	4.555	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2C(=O)C[C@H]3CC[C@H]2C3)CC1	2320336820	IVLJDFBMBBVCIR-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC(C)=C(C)C1)C1CCCC1	2320338932	ZNTRZRFFNDSDJI-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC1(C[C@@H](O)c2cccc(C3CCC3)c2)CCC1	2320655973	XFDLJXBMYHMHLJ-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)CCCC[C@@H]3C[C@@H]32)C1	2321634194	PKGUGQXPCVLMIA-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@]2(CNC(C)(C)C)C=CCC2)C1	2326698785	HSULESDMOHDMNU-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc([C@@H]2C[C@@H]2C)o1	2328274405	QDUDKSGSKDTVCW-FQUUOJAGSA-N	249.398	4.619	0	10	BJAE	
CCc1ccc([C@@H](C)Nc2cccc(F)c2)cc1	21058801	LHXQPCKVPAPRNO-GFCCVEGCSA-N	243.325	4.561	0	10	BJAE	
CC(C)CCN[C@@H](C)c1ccc(CC(C)C)cc1	22154080	QOKVORAWLUVWFU-HNNXBMFYSA-N	247.426	4.582	0	10	BJAE	
CCCC(CCC)Nc1cc(Cl)ccc1F	35284146	YEWJLYZOSYJTDR-UHFFFAOYSA-N	243.753	4.860	0	10	BJAE	
CC[C@H](C)[C@@H](NC)c1c(C)c(C)c(C)c(C)c1C	35467680	FBYLKZOUANHXHI-DYZYQPBXSA-N	247.426	4.535	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@@H]1CC=CCC1	36956426	HTBXULHRXYRHTH-CQSZACIVSA-N	243.394	4.752	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1ccc2sccc2c1	36975847	FISDKIDPEHQHKU-SMDDNHRTSA-N	245.391	4.892	0	10	BJAE	
CC[C@@H](C)C(=O)c1ccc(C2CCCCC2)cc1	37358529	PBBFSWPBRIIORB-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
Cc1ccc(Nc2ccnc3c(C)cccc23)cc1	41055122	TUKLLLBGSICHOL-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
CC(C)c1ccc2c(c1)[C@H](C(C)(C)C)NC[C@@H]2C	84230581	IICUVCDRNJRJOB-BLLLJJGKSA-N	245.410	4.604	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCC2CCCC2)CC1	86904607	NLEYSSUQBFMMFA-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1sccc1Cl	87623138	DKHQUZDEBXLQJB-MWLCHTKSSA-N	246.803	4.651	0	10	BJAE	
Cc1cc(-c2ccc(CC(C)C)cc2)c(N)s1	105554957	KRJMFROMPPRRKD-UHFFFAOYSA-N	245.391	4.504	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(OC)cc1C	109958345	UEUMYVGBYXMDET-TZMCWYRMSA-N	249.398	4.630	0	10	BJAE	
CCCCCCC(CN)CCCCCC	116888687	HOCIUAQCKJYCLT-UHFFFAOYSA-N	213.409	4.502	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1ccc(C2CCC2)cc1	128699614	VIFGUGJVOUCDST-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCCCC[C@@H](N)c1ccc(C2CCC2)cc1	128830617	YSYRQPTVVBYHHL-MRXNPFEDSA-N	231.383	4.534	0	10	BJAE	
CCCCC[C@@H](NCCC)c1csc(C)c1	129452662	ZCLWFPLYPLLOBP-CQSZACIVSA-N	239.428	4.678	0	10	BJAE	
CCCCC[C@@H](O)c1ccc(C2CCC2)cc1	132880459	SSXSAGHMKANPJN-MRXNPFEDSA-N	232.367	4.568	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@@H]1CCC[C@H](C)C1	165371401	LOEMVGAZOLPAKD-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@]1(N)CCCC[C@@H]1C(C)(C)C	165671873	RKVGLHAGDSWRAZ-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)CCC2CCCC2)CC[C@H]1C	166090987	VTPYPRDXLUIOPF-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1)c1cccc(F)c1	166386545	GCUPHYYFHONJRO-INIZCTEOSA-N	243.325	4.697	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)CC1CCCCC1	203568829	VRLFRTMJXUODDV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C(=O)c1cccc(-c2ccccc2)c1	204745769	XSCBYZLGNXKPNX-ZDUSSCGKSA-N	238.330	4.582	0	10	BJAE	
CN[C@H](CCC(C)C)c1cccc2ccsc12	211149961	LNQGZMDFXJVCQW-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CCC[C@@H](C)C1)C(C)C	227180219	UGSKTKGNWYHIMT-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)C[C@H](CC)CCCC	228737310	RFGQSTUOHLDJFP-CABCVRRESA-N	227.436	4.891	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1ccc2ccccc2c1	229676220	UASWUFSYDPECMM-ZDUSSCGKSA-N	239.362	4.830	0	10	BJAE	
C1CCCC(N[C@H]2CCC23CCCCC3)CCC1	230160728	OZCRHOBKNYUYNF-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
C[C@H]1C[C@H](C(=O)C2(C)CCCCC2)CC[C@H]1C	235344182	SRNUJKKERCIUHL-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](c2c[nH]c3c(F)cccc23)C1	235724362	PFYINLCLOYYMGR-WDEREUQCSA-N	231.314	4.601	0	10	BJAE	
CCCC[C@@H]1C[C@H](C)CC[C@H]1CNC(C)(C)C	251267351	CNZWYKHBZHTMQU-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CCS[C@H]2C)cc1	300530918	SKQHNUIQCURROB-SLEUVZQESA-N	249.423	4.506	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H](C)CCCC	300913891	KGSCKWBDTXTENP-KKUMJFAQSA-N	228.420	4.780	0	10	BJAE	
CCC[C@]1(CCC2CCCC2)CCCCCN1	302269299	QSSXXROWGJFHHH-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)CCC1CCCCC1	309990240	KXTNWEWEZYYEHP-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@](O)(C[C@@H](C)CC(C)C)C1CC1	310133091	BDPPHQRVUBIRCQ-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@H](C)C1CCCCC1	310365043	VSBZVPYPOFJLHE-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](NCC1(CCC)CC1)C1CCCC1	313419806	QAKZAWYDZDMPTG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@]1(CNCC)CCC[C@@H](CC)C1	317125397	DFTYJUQOIWYPLA-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CCCCC[C@@]1(CNCCC)CCC[C@H](C)C1	317186087	NPFJAKWGMVICLQ-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC(C)C)CC[C@@H](CC)C1	318069979	MLOZKRHIQVQFSK-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(O[C@H]2C=CCCCCC2)c(C)c1	379855223	LWXKGLMSQXIYRZ-HNNXBMFYSA-N	230.351	4.571	0	10	BJAE	
CCCCC[C@H](NCCC)c1cc(C)cs1	382123670	UQIQCICDPLDTRM-ZDUSSCGKSA-N	239.428	4.678	0	10	BJAE	
CC(C)CCCCC[C@H](C)CCNC(C)C	383167515	KGOWPSDTWCMWME-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
C[C@H](C[C@H]1CCCCC[C@@H]1O)C1CCCCC1	383742111	CJNFEQCLMXGIOT-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccccc1[C@H](O)C(C)(C)C(C)(C)C	384494053	MUEYKZRENSZOKS-HNNXBMFYSA-N	248.410	4.745	0	10	BJAE	
Cc1ccc2[nH]c3c(c2c1)CCCC31CCCC1	385157212	BBFIQQRQLOPQJE-UHFFFAOYSA-N	239.362	4.624	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C[C@@H]1CCC[C@@H](C)C1	386856537	UCOZMKKXKIZDKM-DAXOMENPSA-N	245.410	4.520	0	10	BJAE	
CC(C)C(CNc1ccsc1Cl)C(C)C	387394694	PNZIQRXMQXNACO-UHFFFAOYSA-N	245.819	4.742	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCCCC[C@H]1C	395240959	UKNIGSFTXHSCQE-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CSc1csc2cc(C(F)F)cc(F)c12	396231534	AHLWOECHKZOENY-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCOc1sc2c(C)cccc2c1C(F)F	396253950	VTLMLLQFYMEFJV-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
COc1cc2ccc(Cl)c(C(F)F)c2s1	396288119	GRXZZOLARQUKMH-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCCC1CCC([C@H](O)CCC2CCC2)CC1	398746406	UVSXRHTYHQQZMF-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
C[C@H]([C@H](N)CC1CCC(C)(C)CC1)C(C)(C)C	399130842	OSBWSAPEDDEQDA-TZMCWYRMSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@H](C)C(C)(C)C	399330545	UVBGFGJMWPKXGS-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@H]3C[C@@H]3C2)C1	403586333	CYUDZTKWHVEYEA-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C)C[C@H](CC(C)(C)C1CC1)NCC	405709428	DNCAKJGZRWFUIZ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(C)CC(CN)([C@@H]2C=CCCC2)C1	688296141	KYBIFJBFHCSNCM-CQSZACIVSA-N	249.442	4.524	0	10	BJAE	
CC1(C[C@](C)(O)CC2CCCCC2)CCCC1	689726273	NRXQCDNMGZBYQX-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H](C)CCC1CC1	689816555	BWCXKLLTIUWEKM-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCc1cc(N[C@H](C)c2ccsc2)ccc1F	690093355	JYNLMUHFKIRBDC-SNVBAGLBSA-N	249.354	4.623	0	10	BJAE	
CCSCCCNc1ccc(C2CCC2)cc1	690158753	ONKMSHVZVYHGQF-UHFFFAOYSA-N	249.423	4.509	0	10	BJAE	
CCC[C@H](N[C@H](C)C(C)(C)CC)C1CCCC1	695144927	FEMYTBFLWMLHBB-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
CC(C)CCCCCC1(O)C[C@H]2CC[C@@H](C2)C1	697699299	POITVFIKVDIXBG-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CC[C@@H](CC)C1	697759591	OXTUYIPQJOMMOG-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCC[C@H]1CCCCC1(F)F	698052897	BGMRFIFCKNCXGV-LBPRGKRZSA-N	216.315	4.948	0	10	BJAE	
CCC(CC)C[C@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	699049913	JQBRWMHUOMRFNJ-IVMMDQJWSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)C[C@@H](C)c1ccccc1	704750187	FIZMFVDVMWQUHW-IJEWVQPXSA-N	248.410	4.613	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](O)C1CCCCCCC1	704895251	PLTQCCXDMFGIRD-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CCCC23CC3)c1	706515117	RPLPYGCEYLQXBS-INIZCTEOSA-N	243.394	4.556	0	10	BJAE	
C[C@@H](C[C@@H](N)CC1=CCCCC1)CC(C)(C)C	709182559	CQIHYQPNWDBXEB-DZGCQCFKSA-N	237.431	4.667	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C12CCC(CC1)CC2	710231853	WSIYLXFCVKOATB-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C[C@]1(N)C[C@H](C)CC(C)(C)C1)C(C)(C)C	710754003	OHEQRHDITMLILY-DVOMOZLQSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CCC(C)C)C[C@H](CC)C(C)(C)C	711075233	VHUGLWPGUHPVLQ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(CNC2CC2)CC=CCC1	713143128	YJSXBWIDIKRQTI-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(C2CC2)s1	716660101	UKFFUPJKMOSGMB-LBPRGKRZSA-N	237.412	4.596	0	10	BJAE	
CC1(C)CCC(CNC2(C3CCC3)CCC2)CC1	717886064	VSJIGVRPYOIICO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1cc2ccccc2s1	723125605	AAYKZDAVXSHFSC-PWSUYJOCSA-N	244.359	4.520	0	10	BJAE	
CC(C)c1ccc(C(=O)CC2CC(C)(C)C2)cc1	723542326	KTVMTLMAOYTGCW-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
Clc1cccc2ncc(-c3ccccc3)cc12	725381593	FDKMPSCHDZHCEL-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CC(C)c1ccccc1CN1CCCCC[C@@H]1C	1307696898	CKVITWSTNZLLFF-HNNXBMFYSA-N	245.410	4.575	0	10	BJAE	
C=C/C=C/CCSc1ccccc1Cl	1559326932	FLGFWEZEOZCRQD-ONEGZZNKSA-N	224.756	4.564	0	10	BJAE	
CCCCCC[C@@H](C)NC1CC(C(C)(C)C)C1	1621359718	LKRZYVQSBJTWBD-WLYUNCDWSA-N	239.447	4.760	0	10	BJAE	
c1ccc(N(CCC2CCCC2)C2CCC2)cc1	1644133031	LFMDDCDIJITUMB-UHFFFAOYSA-N	243.394	4.626	0	10	BJAE	
CCC(C)=CCNc1cccc(C(C)C)c1	1900823408	QOUCYSVEOCASBI-UHFFFAOYSA-N	217.356	4.578	0	10	BJAE	
CCCN[C@H](CCCC=C(C)CC)C(C)C	1900901077	QVSIEODIOHECAU-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC(=CC[C@H](C)C(C)(C)O)CCCC(C)C	1900904581	XFAXQCMRCMADEG-AWEZNQCLSA-N	226.404	4.556	0	10	BJAE	
C[C@H]1[C@H](CC=Cc2ccccc2)CC1(C)C	1901826420	PIQJDFZZWIBABR-DZGCQCFKSA-N	214.352	4.772	0	10	BJAE	
CCCC[C@](C)(O)CC[C@H]1CCC(C)(C)C1	1903381703	BUTQXJCATFNYJV-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@H]1CCCC1(C)C	1911994580	QAVVKXFDALAZAI-HZPDHXFCSA-N	249.442	4.703	0	10	BJAE	
N[C@@H](CC1CCCCC1)C1CC2(CCCCC2)C1	1912646157	PVDMBQFFFMSQTC-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)C1=CCCCCCC1	1919963504	YSXMUYMBFWVATN-ZBFHGGJFSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@H](C)CCC(C)C	1919972813	JJRDFASDOJOVAB-RRFJBIMHSA-N	228.420	4.636	0	10	BJAE	
CCCCCC[C@@](C)(O)c1c(C)csc1C	1919977969	XAAKCTIOVVFBQG-CQSZACIVSA-N	240.412	4.543	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC(CC)CC	1926377892	KSIKNYDSLAQUGF-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1ccc(Cl)s1	1928720871	IGVVKJNFUKRPQD-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2C=CCCC2)C[C@H]1C	1932605596	XRWNLHKQULMYSC-TUVASFSCSA-N	206.373	4.805	0	10	BJAE	
CCCC[C@@H](CC)CNC1(CCC)CCC1	1937792353	DMUYQTCIYQNVSB-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC1(NC2CCC(C(C)(C)C)CC2)CC1	1940180716	MEMBXEPMIDOLFK-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCNCC(CC)(CC)CC1(C)CCCCC1	1940407633	QIGIUWPGDNLDLB-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC1CCC([C@@H](O)CCCC2(C)CC2)CC1	1940874418	UTRZAFCLPKRZHA-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H](CC)C(C)C	1941274141	XCLYOUHLWFPDGM-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
C[C@H](C[C@@H](O)CC1CCC=CCC1)C(C)(C)C	1941825221	GBSOBCFARMVODJ-UKRRQHHQSA-N	238.415	4.556	0	10	BJAE	
CC(C)c1cccc(C(=O)C(C)(C)C(C)C)c1	1944632039	PVQVCCISWXXLMA-UHFFFAOYSA-N	232.367	4.675	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C[C@H]1CC1(C)C	1944748347	ZEFYRJWPCLKXBA-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]1Cn1ccc2ccc(Cl)cc21	1944799919	TXFGUEKMYGPPPN-AAEUAGOBSA-N	247.769	4.731	0	10	BJAE	
CCN[C@@H](c1cccc2sccc12)C(C)(C)C	1945968543	AJVRSYGDRRHTJY-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CCCC(C)(C)NCC(C)(C)C1CCCCC1	1946160020	HZMAGKFBXKFBCB-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)CCCCCC1CC1	1947459948	DEHMHQOZZMQKBS-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCC(F)(F)CC)C1	1947991934	YBYQSBJYXMBDBD-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)N[C@H](C)C1CCCCC1	1948324509	AKQNUDIMWRPEPU-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@@H](C)C1CC1	1949073910	FJYGACIBZHIVCL-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@H]1CCC(C)(C)C1	1949552715	TUKSNEPUBIWTEB-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
c1ccc(N[C@H]2CCCC3(CCCCC3)C2)cc1	1968245930	MUHOOCYQHKVPGA-INIZCTEOSA-N	243.394	4.992	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2CCCC3(CC3)C2)c1	1968308184	TYXFCDWWFJDHOU-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
Cc1ccc(OC[C@@H]2CCCC3(CC3)C2)cc1C	1968308705	YIAMCDCQQQVRJX-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
C[C@@H]1CCCCCCN1C[C@H]1CCCC2(CC2)C1	1970730623	UZONMASWZJHENA-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC(C)C[C@H]1CC[C@@H]1Nc1cccc(C2CC2)c1	1972462963	XWTXICHSMNZENF-WBVHZDCISA-N	243.394	4.801	0	10	BJAE	
CCCc1csc([C@@H]2CCC[C@@H](C)CC2)n1	1976351815	ZJLXOGMPKOVUHL-VXGBXAGGSA-N	237.412	4.779	0	10	BJAE	
CCCCC[C@@](C)(CCCC)CNC1CC1	1978660337	VGOYQFQGQJBDJO-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
Cc1cscc1N[C@H](C)[C@H]1CCC[C@H](C)C1	1980279785	LTFFKNDCBIJNPT-UHTWSYAYSA-N	237.412	4.683	0	10	BJAE	
CCCCCC[C@@H](N)C1(C)CCC(C)CC1	1983318412	LCHFTCUBIAHRQA-SHARSMKWSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@@H](C(=O)C[C@H](C)C(C)C)C(C)C	1988303303	SOCCUWNKAKKEHB-UONOGXRCSA-N	226.404	4.556	0	10	BJAE	
CC=CCCCC(=O)CC[C@H](C)CCCC	1995203907	MQLPTNTUERQALO-CQSZACIVSA-N	224.388	4.908	0	10	BJAE	
CC1CCC([C@H](C)N[C@@H](C)CC(C)(C)C)CC1	1996548669	SDQSTUANAVJUDX-GQKFXUNGSA-N	239.447	4.616	0	10	BJAE	
CCCc1ccc(C(=O)C(C)(C)CCC)cc1	1996603511	UAPLVARBYVHFFF-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCC[C@H](C)[C@H](NC)[C@H]1CCC[C@@H](CC)CC1	1997117570	RXRJOAPSZWSQJH-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1CC(C(C)(C)C)C1	1998235323	VGXUTEBIVWYRJD-IYXRBSQSSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@](O)([C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000037435	HZWSSYODSOGXMP-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H]1CCCC(C)(C)C1	2000062382	LXGMJWMMPJTIDV-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CCC(C)(F)F)CNC(C)C	2000505054	NLNVFXGPPRFLLA-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CN[C@@H]1CCCCCC[C@H]1C[C@H](C)C(C)(C)C	2003099621	MBNHOLQSLKDYHD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CC1(C)CCCC1	2003180206	YIKGJMSBQKZVMI-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@]1(C)C=CCCC1	2003320020	DUFDDHLWEVYNAS-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CN[C@H]1CCCCCCCC[C@@H]1CC=C(C)C	2004228271	OUCDWSYBJINDPF-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC1(C)CCC(N)([C@@H]2CCC(C)(C)C2)CC1	2004338010	YUMMNQDJUQYLGA-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)c1ccccc1CNc1ccsc1	2005911852	FOJFLWNRSRKYLP-UHFFFAOYSA-N	245.391	4.658	0	10	BJAE	
CC1CCC(C)([C@@H](N)CC2(C)CCCC2)CC1	2007688763	HDPPSDQSAUGYKX-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C1(C)CCC(C)(C)CC1	2007698873	VGQFBRWPXNFAJC-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1CCC(C)(C)CC[C@@H]1N	2009405190	WEWMVGWJOMDISK-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCC(C)(C)CC[C@@H]1NC	2009410695	LDPBORNLDBCFBJ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCCCC12CCCC2	2009571162	DQMSRSPBBJRONX-WOMSROEHSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@H]1C(CCC)CCC	2009774789	UUQJZSMZFVOLJN-KBMXLJTQSA-N	239.447	4.760	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1CCC[C@@H](CC)C1	2013532571	HCYMINJWSGMCEA-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CN[C@H](C)C1(C)CCCC1)CC(C)(C)C	2014360175	RNHSGLUKXJXTQB-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@](N)(CC)C[C@H](C)CC)CCC1	2015649087	WSAAOURDKABWQJ-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCCC1CCC(N)(CC(F)=C(C)C)CC1	2017462688	DDBYLWUSIYJVBH-UHFFFAOYSA-N	241.394	4.718	0	10	BJAE	
CC(C)=C(C)CNC[C@@H]1CCCC(C)(C)CC1	2017465734	ICRJGUUIMDAGTK-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC[C@H](N)C2)CC1	2017736447	YCFWEMXISTUYKS-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@H]1CCCC[C@H]1C	2018189408	SUHWOFIDTDJMJN-PMPSAXMXSA-N	239.447	4.856	0	10	BJAE	
CCCC1(Cn2ccc3cc(Cl)ccc32)CC1	2018921338	NERVXYIGVDFTMN-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CC[C@@H]1CCCCCN1[C@@H]1C=CCCCCC1	2019124277	OHYIYMHNDPRLOQ-HZPDHXFCSA-N	235.415	4.530	0	10	BJAE	
CN(CCCC(C)(C)C)[C@@H]1CCCC(C)(C)C1	2019325352	KDPZQIXYLAZDMH-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
FC(COc1cccc2sccc12)=C1CCC1	2023194004	IYPLWUIPNXPGGU-UHFFFAOYSA-N	248.322	4.688	0	10	BJAE	
CN[C@H](C[C@H]1CCCC(C)(C)C1)CC(C)(C)C	2024094102	HOPDQKRFKNKXCW-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@H](C[C@@H]1CCCC(C)(C)C1)NC	2024096860	WHEBSFGGTCZZPR-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H]2CCCC(C)(C)C2)N1	2024102912	WYCWLANTDWTTFH-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CC[C@@H](C(C)C)C2)c1	2025572118	OKEXOFWRCBNNQT-CABCVRRESA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@H](C)C1CC1)NC	2026168850	DFMBAFKIMGIVJD-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCC(C)C)c1ccccc1C(C)C	2027517663	JGSUMNBQJZADSM-KRWDZBQOSA-N	247.426	4.897	0	10	BJAE	
CC(C)CC(O)(C=Cc1ccccc1)CC(C)C	2028584919	ALGGFVYYZYBFIR-UHFFFAOYSA-N	246.394	4.523	0	10	BJAE	
CCC1CCC(NCC2(C3CCCC3)CC2)CC1	2029739115	ZOEQLSTZURGMIR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)c1ccccc1C(C)C	2029823077	GMZOIRXJCBVFAO-RHSMWYFYSA-N	247.426	4.882	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCC[C@H]1C[C@H]1C=CCCC1	2035602497	WGXJSUTUBJJISU-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@@H](CN2CCCCC23CCCC3)CCCC1	2036778868	GVPLGOPABVEEFT-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)C[C@H](C)c1ccccc1	2037126756	JHNUOLLNJACZEB-GOEBONIOSA-N	247.426	4.580	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@H]1C[C@H]2C=C[C@H]1CC2	2037165748	HWLUUGAQIDWSGP-JONQDZQNSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@](N)([C@@H]2CCC3(CCCC3)C2)C1	2037587273	BAJRNEJSQTVFIZ-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C1=C[C@H](N[C@H]2CCCC23CCCCC3)CCCC1	2039042746	XPWKDOBGPHDHBW-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CCCN[C@H]1C[C@@H](C2(C)CCCCC2)C12CCC2	2039844234	QWUUQSMBUGUQRV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCNCC(=C[C@@H]1CC[C@H](C)C1)C1CCCCC1	2040168391	GWQCCIBCKKCTKS-LSDHHAIUSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc(CC2CC2)cc1	2040732252	FGPWSJLITQWTOL-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(C)(C)[C@@H](N[C@H]1CCCC2(CCC2)C1)C1CC1	2041288934	DPKVWBUSRJRRHN-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CC=CCC2)CC1	2041378957	HVZSEVBISLFHRF-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CCCCCc1ccc(NCC2=CCCC2)cc1	2042333383	SQOMUODVOGELSR-UHFFFAOYSA-N	243.394	4.942	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CCCC[C@@H]2C2CC2)C1	2045400677	YFXMRVAMCQFYOV-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC2CCC=CCC2)C1	2045561297	WUOQQAXNUUUXFL-BBRMVZONSA-N	246.394	4.684	0	10	BJAE	
CC(C)=CCCC(=O)c1c(C)oc2ccccc12	2045587656	YHELVTOJIRKQHH-UHFFFAOYSA-N	242.318	4.670	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)C1(C(C)C)CCC1	2045793420	HWICZWGEZAJMKG-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](C2(N)CC3(CCCCCC3)C2)C1	2046232612	ARLUIRWKMUHHRD-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CN(C[C@H]1C=CCCCC1)[C@H]1CCCCC1(C)C	2046391512	MTBKIBJSSJKPAH-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](C[C@H]1CC12CCCC2)C1CCCCCC1	2047024290	SVIHSTLASZQHPK-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(N)(C[C@@H]2CC23CCCC3)CC1(C)C	2047055235	JHPOONNGXFVNEM-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CC[C@]1(CC2[C@@H]3CCCCC[C@@H]23)CCCCCN1	2048453720	IQYASKCYCBHRRN-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(N[C@H]2C[C@H]2C2CCCC2)CCC1	2049672260	KNPFYHXMBCOISY-IRXDYDNUSA-N	249.442	4.658	0	10	BJAE	
CCCNCC1(C[C@H]2CCCC3(CC3)C2)CCC1	2049847613	CMIQWMWDLKOKRW-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)CC2CCC3(CC2)CC3)C1	2049850002	UWHDWQLFQZSPJT-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CCC1)CC1CCC2(CC1)CC2	2049854228	JDWXZNIMZNOWLC-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@@H]1CCC2(CC2)C1	2049855023	NDVFUPYMQOWUSL-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2CCCC3(CC3)C2)C=CCCC1	2049999392	CDNYKZWSWMPVFM-GDBMZVCRSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc([C@H](N)C[C@@H]2CCCC(C)(C)C2)cc1	2050427854	CQNDSAKIBWOODE-GOEBONIOSA-N	245.410	4.601	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@H]2CC23CCCC3)c1	2050460629	KYXADWMALIINFH-OAHLLOKOSA-N	242.362	4.538	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H](N)c2cccc(C)c2)C1	2050465710	UVEUPWAVJWIGJL-INMHGKMJSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CC(=O)c1cccc(F)c1	2050494731	LVJAIHXDLSIMAR-OLZOCXBDSA-N	248.341	4.615	0	10	BJAE	
Cc1cccc([C@@H](N)C2(C)CCCCCCC2)c1	2052476213	SYEFDWJRSZKRMS-MRXNPFEDSA-N	245.410	4.745	0	10	BJAE	
C[C@@H]1C[C@H]([C@@H]2CCCC[C@@H]2F)c2ccccc2N1	2055186380	PSJYNPDWDVUUDA-OSRDXIQISA-N	247.357	4.503	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H]2C=CCC[C@H]2C)CC1	2055576990	CELCAYAEUHAGAW-RNONSGAXSA-N	249.442	4.536	0	10	BJAE	
CC1=CCCC[C@@H]1NCC1CCC(C(C)C)CC1	2055671381	HSNDBRRNGDBAOK-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@](N)(CC2CC(C3CCC3)C2)CC1	2056640501	PVEJXBSFNAHMEK-VFNXUKNFSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCC1)CC1CC(C2CCC2)C1	2056642506	JVQVWRKVJBTVRW-PREGVCBESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C1CC(C2CCC2)C1	2057489818	ZBFOTXSCHFMMDK-MNAZLIDISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2CC(C3CC3)C2)CC1	2058992081	OQPIJIYTJFMOMG-BLZCZZARSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CC2CCC3(CC2)CC3)CC1	2058993087	YPCHCOFQDYQKJN-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@](C)(N)C2CC(C)(C)C2)CC1	2061110659	JUEVLWIKIAHHTD-SUMWQHHRSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](CC)CC1)C1(C)CC(C)C1	2061138839	AOCPOJPGAZYFDS-HTUOJYHCSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@@]12CCC[C@@H]1C2)CC1CCCC1	2061573116	VTZXHGRHZHHZDU-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(CC(=O)C2CC(=C3CC3)C2)CC1	2061734021	IVKVRRDGBJMAGA-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCCCCC23CC3)[C@H](C)C1	2062016646	ISIWNBGKZWWDQG-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(N[C@H]2CCCCCC23CC3)CCC1	2062019479	WFYYOCFEYHQDQC-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)[C@@H]3C=CCCC3)C2)C1	2063209476	UPLZAROTZOPDKJ-CQSZACIVSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC[C@H](NCCC23CCC(CC2)CC3)C1	2065259231	MKERIZZOTFYVPK-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@](C)(O)C1(C)CCCC1)c1ccccc1	2067508706	AMYXZNKHXAHNJN-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)C[C@H]1CC12CCCCC2	2068268142	COULSKOTKPCQNU-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068767816	IZMSCDVMLHZKCY-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)C2C[C@H]3CCC[C@@H]3C2)CCC1	2069288358	GINQDPNOBUESJK-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C1CCCC1)C1(CC2CC2)CCC1	2069510343	AQYLDDWRSZOONZ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H]1CC[C@H]2C[C@H]1C2(C)C	2070398412	MBFVDESEPUMPQS-QXSJWSMHSA-N	249.442	4.536	0	10	BJAE	
C[C@H](N[C@@H](C)[C@@H]1CCCC(C)(C)C1)C1CC=CC1	2070811322	QLYVBOYTEUBWCJ-OFQRWUPVSA-N	249.442	4.536	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(C[C@]23CCC[C@H]2C3)C1	2070966922	LEXHMXMZGGHOLL-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2C[C@H]3CCC[C@H]32)CCC1	2071913390	QQJCVKDXEOLEGZ-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc([C@H](N)CC2(C(C)C)CCC2)c1C	2071943778	QHVCJFNUHBJXSA-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2072704199	JTMPDJJZDSMFTA-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(C3CC3)CCCCCN2)CC1	2072798873	NQEMPNGCDITVBZ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@]12CCCC[C@@H]1C2	2074641204	IGFBRFDKENLSDF-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)N1[C@H]2CCC[C@H]1CC1(CC1)C2	2075239133	XSPZVQUHDDAFIG-JYJNAYRXSA-N	249.442	4.608	0	10	BJAE	
CC(C)CC[C@H](C)N1CC=CCC12CCCCC2	2075243648	HJPMOWONWHCNQK-INIZCTEOSA-N	249.442	4.776	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNC1CC2(CCCCCC2)C1	2079446012	HJIHGVQRARUPRV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@](N)(C[C@H]1C[C@@H]1C1CCCCC1)C1CCCC1	2079832461	NJNNMJOBNWOLKV-DJIMGWMZSA-N	249.442	4.501	0	10	BJAE	
NC1(C=C2CCC2)CCC2(CCCCCC2)CC1	2080197008	IOTZBXZVXRRANZ-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
CC[C@H]1CC[C@](CC=C2CCC2)(CNC(C)C)C1	2081677453	MEKUTNZTDZIQNG-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H]1CC12CCCC2	2081779654	HINDPVMINGNMFY-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)C=CCCC2(C)C)C1	2082976729	TXJVBDMDSDANIL-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](N[C@H]1CC(C)(C)C1(C)C)c1ccccc1	2084371830	RNLAPKKGGJLFOA-CABCVRRESA-N	245.410	4.552	0	10	BJAE	
CCCc1ccc(N[C@H]2C[C@H]3CCC[C@H]2C3)cc1	2086152884	FWYHWYKWNDTQOH-ZOBUZTSGSA-N	243.394	4.630	0	10	BJAE	
CCCC(CCC)N[C@H]1C[C@H]2CCC[C@H](C2)C1	2213284713	KMJPLZKFYRHREQ-MIFYACCESA-N	237.431	4.514	0	10	BJAE	
Fc1ccc(CC=Cc2ccccc2)c(Cl)c1	2213825247	QYZZSKCYSCNSFB-UHFFFAOYSA-N	246.712	4.735	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H]2CC[C@@H]2C)CC1	2215091960	CUYFJYCGNVTVMK-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](N)CC1(C)CC2(CCC2)C1	2215394377	GTLFULDYPUQBQJ-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)CC1(C)CC(C)(C)C1	2215401904	RVNQWMGHLDAXIC-CZUORRHYSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)C)C(C)(C)CCC	2216278753	NZUOTDZUYHIAHL-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
O[C@@H](CCCCCCC1CC1)CCCC(F)F	2216417215	KKVPJEYROLSGQX-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)CC(C)(C)C(C)C	2217150443	NEASACJFEHOQHM-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218331152	JXTREHRHUZZQEB-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNCCCCCC2CC2)C1	2218750365	ORVAWIXYXWAOPZ-YOEHRIQHSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](C)[C@H](CC=Cc1ccccc1)NCC	2219088154	OBSIQTYZTQYNJE-WBVHZDCISA-N	245.410	4.504	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H]1C)[C@@]1(C)C=CCCC1	2220539565	KMSUDSQYLGARFJ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](O)(CC1(C)CC(C)(C)C1)c1ccccc1	2221005030	REJSFFCWBGWGKS-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CC1(C)CC2(CCC2)C1	2221040314	NNKLDJFLUHFRNM-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCC1CC(C[C@H](NC)[C@@]2(C)CC=C(C)CC2)C1	2221621663	FQWIYNPETZZCCR-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H](C)[C@@H]2CCC2(C)C)CC1	2221639437	BMYPHHPPLYIPNC-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
C(CCCC1CC1)CCCN1C[C@H]2CCCC[C@@H]21	2223110626	PLXPOLNCKWFIAS-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1(C)CC(C)C1	2242699603	GMUOLWDKQRLQTM-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@@H](O)CCC[C@@H]1CCCCC12CC2	2246617927	PUEHBXFCDMXARV-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](N)CCCCC[C@@H]1C[C@H]1C	2248809133	QFWIEJIQUSXUTB-OAGGEKHMSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cc2ccccc2s1	2250358980	BREXMZOVSLGRRW-NHYWBVRUSA-N	247.407	4.727	0	10	BJAE	
CCNC[C@H](CC)CC[C@H](C)CCCC(C)C	2250490424	IYWBJILMSOOFSO-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@]12CCC[C@@H]1CC2	2251130754	UTOYVRXPCUJLTK-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H]1[C@H](O)C(C)(C)CCC1(C)C	2251707148	KXZDWLAVMVEIIE-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCC1CC(C[C@@H](N)C[C@@H]2CCCCC23CC3)C1	2253790078	DZBHDKOLLQGTAH-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)[C@@H]2CCC3(CC3)C2)C1	2253931075	PLOZIMQSCMASKP-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)[C@]2(C)CC=CCC2)C1	2253938843	OKOTYJUVKZPLLU-YYIAUSFCSA-N	249.442	4.667	0	10	BJAE	
CCC1(CC)CCCN1CC[C@@H]1CCCC12CC2	2255234868	QUMHEMIRPSXCSW-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCc1ccc([C@H](N)CCC(C)(C)CC)cc1	2256298850	XDIDCKZIEXZDRH-MRXNPFEDSA-N	247.426	4.855	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(OC(C)C)cc1	2259465298	LBRAMGJGBHREKF-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@]23CCC[C@@H]2CC3)CC1	2260581141	CVXQFMUTURONEO-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@]12CCCC[C@@H]1CC2	2260677412	FOPFODZVSLUXSG-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC(C)(C)C(C)(F)F	2300505207	KCSSFDNWLYAINF-CYBMUJFWSA-N	249.389	4.602	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CCCC[C@@H]1CC	2300678467	KQQPZVGTZNJZIQ-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H](C)C1CCCCC1	2300686880	VYKRPMBJLHUQRG-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@H]1CCNC2(CCCC2)C1	2300700306	LDSNEEYLOJBDOY-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC=CC[C@H](NCC)c1csc2ccccc12	2300875239	SNPSFOYWHULABU-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301066071	LIBRCFSMMQVDCG-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CC[C@](C)(CNC(C)C)CC1CCCCCC1	2301245270	UZHYHDDHRUWZOF-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCCC1CC1)CC(C)(C)C(C)C	2302571691	MVLBVLBZMOAKJP-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](F)C1(N)CCCCC1	2302588144	YTBAYDKGGKLGTR-UONOGXRCSA-N	243.410	4.593	0	10	BJAE	
CCc1cscc1N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	2302884469	FTFRHRCEDGHMPZ-XWUBHJNHSA-N	249.423	4.547	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CC[C@@H](C)C2)CC1	2303603527	UDDLPABQNHVIDI-DFBGVHRSSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCC[C@H]1C[C@H]1C)NC	2307841037	HYNXPRIHJGALGZ-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2308611270	DTXAUTIBSFWJHC-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1[C@H](C)CC1CCC1	2313622241	JODKRGRNGMXLDP-XNJGSVPQSA-N	243.394	4.658	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@@H](C)CC1CCC1	2313674352	YIDGSGNESPHOSE-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)[C@@H]1C[C@H]1C1CCCCC1	2313702753	VVAHRVJEFQXVDI-VBNZEHGJSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1(CF)CCC1	2315870784	DWZYHXQFYQDDOP-UHFFFAOYSA-N	249.373	4.670	0	10	BJAE	
CCC(C)=CCN(C)C1CCC2(CCCC2)CC1	2316517915	BBWMXEFTYJGLJN-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
O=C(CCCC1CCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316739374	QPNPEGUDCPMCHP-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316790576	JKNIGTGEZXJMRU-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317115706	YFWNTNHOIQKCNA-QBPKDAKJSA-N	249.442	4.524	0	10	BJAE	
C[C@@H]1[C@@H](Nc2ccccc2C2(C)CC2)CC1(C)C	2318184982	UNSRPLXYESOTPI-DOMZBBRYSA-N	243.394	4.585	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1NCCCC1=CCCCC1	2318531408	KPKVWKXREQAISN-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@H](CCCC2=CCCCC2)C1	2318539650	NEDNCMILTRCQOE-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
C[C@](N)(CCCC1=CCCCC1)C1CC2(CC2)C1	2318543934	UBMVCBYYVMBEBZ-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)CCCC2(CC2)C1	2318551642	QYBIHLXJVUOAQN-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
C[C@H]1CCN(CCCC2=CCCCC2)C[C@H](C)C1	2318575595	HAFRSLIFTYBNNY-JKSUJKDBSA-N	249.442	4.635	0	10	BJAE	
NC[C@@H]1CCCCC[C@@H]1CCCC1=CCCCC1	2318583154	MBZODESGNOAXIO-SJORKVTESA-N	249.442	4.812	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2CC3(C2)CC3(C)C)C1	2319297919	VBTCXFVLKOQXFU-SFYCDEOASA-N	248.410	4.598	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CCCC[C@H]3C[C@@H]32)c1	2319332343	RWTAPIDAFDXLDI-JLJPHGGASA-N	241.378	4.555	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H]1C(C)(C)C)c1ccccc1	2320134039	JSBBYAOUTVSXGH-OWCLPIDISA-N	245.410	4.552	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(C(C)(C)C)CCCN2)CC1	2320334506	PWJSYRFEBSMZRL-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@]23CCCC[C@@H]2C3)CC1	2320413598	UJBBBHGSQRAHRG-BFYDXBDKSA-N	246.394	4.662	0	10	BJAE	
CCCC1CC(CNC[C@@H]2CCC(C)=C(C)C2)C1	2320422333	GXPAPCBFRPQTNX-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C=C2CCCCC2)c1	2320515675	KWSCJELLBNPRQI-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CCCC[C@@H]2F)c1	2320574358	HUFPNTYYRKSUGZ-GJZGRUSLSA-N	248.341	4.521	0	10	BJAE	
CCCCC(=O)CCc1cccc(C2CCC2)c1	2320620164	DMWAPDIGSZTXKU-UHFFFAOYSA-N	244.378	4.646	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2C[C@@H]3CC[C@@H]3C2)C1	2321641858	IUCPSCGGAVEYMI-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@H]2CC[C@@H](C)C2)c1	2327698604	DTYWAVSCICZDBP-IFIJOSMWSA-N	245.410	4.554	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)c1	19985187	UDKSZFJWUKXNQS-HIFRSBDPSA-N	231.383	4.622	0	10	BJAE	
CCCCCN[C@H]1CCC(C)(C)c2ccccc21	20525544	RONKHJJSJKRIIZ-INIZCTEOSA-N	245.410	4.579	0	10	BJAE	
CCCC(CCC)Nc1ccc(C)cc1C	21008617	USWNHGICJFRLKS-UHFFFAOYSA-N	219.372	4.684	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1ccc(C(C)(C)C)cc1	35493514	INNZWPAPOWPJJG-CJNGLKHVSA-N	247.426	4.681	0	10	BJAE	
CC[C@@H]1Sc2cscc2S[C@@H]1CC	39102979	HQLCDYKEPBBYFO-OCAPTIKFSA-N	230.423	4.503	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCCC[C@@H]1C	71084800	STZRQTLARZMJPA-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@]1(N)CCC[C@@H](CC)C1	71111633	HVGWZQRAURCQOI-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H](CC)C1)C1CCCCC1	80460636	LSOYOSFEBUQBLH-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H]1C[C@@H](C(C)(C)C)CCC1=O	82434052	OSWJZBPKAJNPLD-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC(=O)c1cc2cccc([C@@H](C)CC)c2o1	88071820	JZTHBRQDRWKITF-NSHDSACASA-N	244.334	4.929	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)c1ccccc1	110209730	WIMSFFXQTLRYAP-KRWDZBQOSA-N	247.426	4.524	0	10	BJAE	
Cc1c(Cl)nc2c(Cl)cccc2c1Cl	113385438	WWCYNLSDARJOQQ-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CC1(C)CC[C@H](Nc2ccccc2C(C)(C)C)C1	129333423	XCJBGWOEMMTVPX-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
CCCCC[C@@H](C)[C@H](NCCC)c1ccccc1	133469519	CUSCHTANHUZNAY-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
C[C@@H](CNc1ccc2ccccc2c1)C(C)(C)C	163042044	HVWHROOMSLTTJC-ZDUSSCGKSA-N	241.378	4.934	0	10	BJAE	
CC(C)CCCC1(N)CCC(C(C)(C)C)CC1	165671010	IEVNKEXMWNIAJN-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)c1c(C)ccc2ccccc12	167364383	LZRQAUMFCKWLFN-MLGOLLRUSA-N	241.378	4.584	0	10	BJAE	
CC(C)(F)C1(c2ccccc2Cl)CCCC1	220782701	IZMGJPLXBKRKNY-UHFFFAOYSA-N	240.749	4.900	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](O)CCC(C)C	229186004	SHZRGAAMORFIFK-BHYGNILZSA-N	248.410	4.613	0	10	BJAE	
C1CCCC(N[C@@H]2CCC23CCCCC3)CCC1	230160725	OZCRHOBKNYUYNF-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CCOc1csc2c(Cl)ccc(Cl)c12	230520982	RHNXFEBAZBMGJI-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCCC[C@@H](NC[C@@H]1CC1(C)C)c1ccccc1	233016721	GZVOPJRAOXVBGL-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
CCc1ccccc1NC[C@@H]1CC(C)=C[C@H](C)C1	234151686	RKWIQBGIOCDGQJ-ZFWWWQNUSA-N	243.394	4.653	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)C1CCC(C)CC1	234452712	XDAIFMSKAAIOIJ-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H]2[C@@H](C1)C(C)(C)CCC2(C)C	238804417	BWPHCHITVFALRH-FRRDWIJNSA-N	208.389	4.885	0	10	BJAE	
CCCc1ccc(N[C@@H]2C[C@H](C)CC[C@H]2C)cc1	249719928	DGXWXNQUURMRTA-CKEIUWERSA-N	245.410	4.876	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@H](C)C[C@H]2C)cc1	249724727	QYIHQQKBYUFHJE-JJRVBVJISA-N	245.410	4.876	0	10	BJAE	
CCC(CC)C[C@]1(N)C[C@H](C)CC[C@H]1C(C)C	250381464	DZHBLJPPCKLRLF-VNQPRFMTSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@H](C)[C@H]1C	251386791	SNMXORDIHOSSAO-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCC[C@H](C)C2)CC1	251908261	XMLGUOQUPPOWMJ-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1Nc1ccc(Cl)cc1	252107133	HFAFOFWOVPRZFS-UHIISALHSA-N	237.774	4.577	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1C[C@H]1c1ccccc1	252908232	XVMZZNWOUOKQJJ-CWRNSKLLSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CC[C@H](O)[C@@H](CCC2CCCCC2)C1	302266754	QDPQDAYLKXHYDL-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(N[C@@H](C)c2ccccc2)cc1C	302325386	QWXJIPBCXGGOSQ-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
C[C@@H](CNc1ccc(F)cc1Cl)C(C)(C)C	304258935	IUEASWPQKXQQEN-VIFPVBQESA-N	243.753	4.573	0	10	BJAE	
CC(C)C(C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)C(C)C	304347320	GAKTZCCMURENBL-HZSPNIEDSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCCC(=O)C(C1CCC1)C1CCC1	304541710	NPLSKDJIPJFDNB-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1cccc(C2CCC2)c1	305927254	JAWKUJMUXLXHKQ-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
C[C@@H](CCC(C)(C)C)Nc1ccc(F)c(F)c1	306066976	VADUDEPDJIOQJE-JTQLQIEISA-N	241.325	4.592	0	10	BJAE	
Cc1cc2ccsc2c(Cl)c1C(F)F	307666730	FPZPGGDNFILOKC-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
C[C@@H]1C[C@H](CC2CCCC2)Nc2ccccc21	310214675	VRCAGOBXKRRNDI-TZMCWYRMSA-N	229.367	4.555	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CCCCCC(C)C	383135872	DOBNMWMFBOWEHG-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCCCC1(C)C	383559960	RXKQAYZLULLCSR-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)c1cocc1C	385533858	USLZUXWKKSYCGS-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)c1ccccc1C(C)C	386470547	GKZSRFPBDKJZKX-YOEHRIQHSA-N	245.410	4.564	0	10	BJAE	
CC(C)[C@@H](C)CNc1c(Cl)cccc1Cl	389996956	QWJSMGXILAZPEB-VIFPVBQESA-N	246.181	4.697	0	10	BJAE	
Cc1ccc(F)c(C(=O)C[C@H]2CCC[C@@H](C)C2)c1	394148006	FOVHDAJNMADYBN-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
C[C@H](C[C@H](O)C1CCCCCCC1)C1CCC1	398632764	SHXMZIZOLZKEPC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CCC2CC2)cc1	401039266	YMLXZBBFEKTMDU-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNC1(CC)CCCC1	401789506	FPTQOORIFWMVFJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C1(CCC)CC1	405754672	SVAFVOUZQIMQDD-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)C1CC(C)(C)CC(C)(C)C1	688347394	WBHXEIWINBUHTF-TZMCWYRMSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1cccc([C@@]2(N)CCCC(C)(C)C2)c1	688921817	RTZPBAKIQQAJBG-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@H](c1cccc(C(C)C)c1)C1(C)CC1	688941140	WIYGBFJEADFLNK-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)[C@H]1CCCC1(C)C	692107144	RISQKBIKDSBCMD-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](O)c1cc2cscc2s1	694425032	KIHQVDLMRBVGJW-SNVBAGLBSA-N	240.393	4.577	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)c1cc(C)ccc1C	695096856	DGZPXWSDWMZQRV-LSDHHAIUSA-N	247.426	4.779	0	10	BJAE	
CCc1ccsc1[C@H](O)CCC(C)(C)CC	696568208	QBOKFCQVUBXOFO-GFCCVEGCSA-N	240.412	4.560	0	10	BJAE	
CCC(C)(C)CC[C@](O)(CC)C1CCCC1	696715133	YTJDQCCOVDNDRU-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CCC(C)(C)CC	696804997	DCQOIUQWEQMGMG-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@H]1NC1CC2(CCC2)C1	697674571	WUIQDAKRLPWMPS-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C[C@@H](C)CC	697769716	PQAAWMWDQVSNTB-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cccc2ccsc12	701093240	UWSKCXYVFLQMLH-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(C(F)F)cc1	701188654	ZXBOMZIHUDRKSP-ZDUSSCGKSA-N	241.325	4.594	0	10	BJAE	
C[C@H](C(=O)c1cccc2ccsc12)C1CCC1	703026321	MHDXNDNEUYZPTI-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CCC(C)(C)C	704952383	QUBZVBTWEHLYPE-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@](N)(CC1CCCCC1)C1CCCC1	704956785	LQHGHGNTWNDSKB-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)=CCCc1ccc(Cl)cc1C	708405042	BTFUTXVKTNOYHR-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(N)CC(C)(C)C	709200301	IWONGRZTKGQTCH-DOMZBBRYSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(N)[C@@]12CCCC[C@H]1C2	709278410	PGMZZQKOXVJORK-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cc2cc(C3CC3)ccc2nc1Cl	709831926	RSYPPBNOXBUUAR-UHFFFAOYSA-N	245.753	4.889	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C23CCC(CC2)CC3)C1	710323647	KPXDBCIBDIQCBD-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@@H](CC)c1ccccc1	713158422	FXXFJJNXTHTNAF-JKSUJKDBSA-N	247.426	4.595	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](C)[C@@H](C)CNC(C)(C)C	713212583	QNUBOWRVBHFISE-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CC(C)(C)C(C)C)C1	713230048	QIZJQNUKGFLAAG-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
C=C/C=C\CCOc1cc(Cl)ccc1Cl	713741043	WNDMIKYDPAUUMH-ARJAWSKDSA-N	243.133	4.505	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@H]1CCCC1(C)C	718597125	YZGOMAFRCXMYSJ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	723614911	MJSYQPWVEOLGFO-XHSDSOJGSA-N	237.431	4.645	0	10	BJAE	
CCC(C)=CCc1ccccc1C(F)(F)F	1900899007	VKCXTFVARCGIDF-UHFFFAOYSA-N	228.257	4.604	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@H](CC)CCC	1905374526	PELNTXQVCGPCBP-DZGCQCFKSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCC[C@@H]1C[C@H]1C)NC	1908547964	YVJHDYXUKKRPLT-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H]1C[C@H]1CCC)NC	1910744444	UYYQRPODXMYBSW-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCCC1(CNC(C)C)CCC(C)CC1	1911813369	WBKGFTXGPLRQCK-UHFFFAOYSA-N	249.442	4.703	0	10	BJAE	
N[C@@]1(CC2CCCCC2)CCC2(CCCCC2)C1	1915890248	ACSCEDRHRBLZER-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(CNC2CC2)C=CCCC1	1916569878	VERJOOCGVDNJRC-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC([C@@](N)(CC)C[C@H](C)CC)CC1	1920196623	KVSMDNLCOZADSW-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@@H]1CCCC12CCC2	1921594001	BCKTTYBRPVUBMP-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H](C)C1CCCCC1	1924096951	HCZBGDVNCBSNPS-ZDUSSCGKSA-N	244.378	4.648	0	10	BJAE	
CC(C)c1cnc([C@@H]2CCCC2(C)C)s1	1930067399	SROKWLLMGFPJAS-JTQLQIEISA-N	223.385	4.560	0	10	BJAE	
CCN[C@H](CC)C1CCCCCCCCC1	1938719445	UKZJQHXTTNKMRI-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@@H](C)CC(C)C	1940415824	OTXWKJQKVSKSCN-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H](C)C1CC1)NCC	1940717501	BLJHQOLIAFAVQY-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@](O)(CCCC2CCC2)CC1	1941469286	BLQZLEGUAMPZIY-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCc1cccc(OCCCCCC2CC2)c1	1941592795	XLSMNABLLMVPHA-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1CCC=CCC1	1941793155	GIWMEEWDYNQHMJ-OAHLLOKOSA-N	236.399	4.764	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)C)CCCC1(C)C	1944479286	AMBYQCQVLIBUKV-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CC=CCC1)C1CCCC1	1944641222	JSDHWDXDGYQODZ-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CCC(C)(F)F)CC1	1947994018	SUEFQLLRTAAXKM-GXTWGEPZSA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@H]1CC12CCCC2	1948072025	OWVVXEOEFWXUFC-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C(C)(C)N[C@H]1CCC2(CCCC2)C1	1948676069	RNGQFUYKNVTDQS-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H]3C[C@H]32)c(C)cc1Cl	1948808416	AXEXBRFDOGVXSH-YRGRVCCFSA-N	249.785	4.557	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)C2(C)CCCCCC2)C1	1949517838	KLJXGGWYUYRURN-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)CCC(=O)CC1CCCCC1	1949908117	VFOZLVJSVNMWLB-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCSc1ccccc1N[C@@H](CC)CC1CC1	1950098467	BRZHQVUOPQDDOK-ZDUSSCGKSA-N	249.423	4.789	0	10	BJAE	
C[C@@H](N[C@H]1CCCC2(CCCC2)C1)C1CCCC1	1967857149	YHAAFPRLPDFDCO-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCC1CCC(CNc2cccc(F)c2C)CC1	1968648522	OSTYSQBWUHQBRZ-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CCCSc1ccccc1N[C@@H](C)CCC	1975964899	KLVRWHBXWRPQMX-LBPRGKRZSA-N	237.412	4.789	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CCC[C@@H]1C	1978450689	UQLHGKFDZXDDFU-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)c2cccs2)C1	1980686928	HWSFGPAQRTUMOR-VXGBXAGGSA-N	236.380	4.537	0	10	BJAE	
CC[C@](N)(CCCC1(C)CC1)CCC(C)C	1986961643	ZHAQTTYKUAESBK-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1CC[C@H](C)CC1	1989771244	YIBHCKOSQSYHKO-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CC(=O)CC(C)(C)C[C@@H]1CCCC(C)(C)C1	1994027192	YBXUBRFEKRKQRL-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@@H](C)CCC	1995254375	RAXVMXMZDBKJJU-SOUVJXGZSA-N	228.420	4.780	0	10	BJAE	
C[C@@H](N[C@H]1CCC(C)(C)C1)C1(C)CCCCC1	1995983518	PCIQWXVYOGPBPT-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](Nc1ccccc1SC1CC1)C1CC1	1996548168	JJJZLRJGCDKVBM-ZDUSSCGKSA-N	247.407	4.542	0	10	BJAE	
CCC[C@H](C)CNC[C@@H]1CCC[C@H](CC)CC1	1997100139	LZNUXNDYKQGPAC-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H]([C@H]1CCC[C@@H](CC)CC1)C(C)(C)C	1997104124	IYQXQFQBLOSKLT-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@H](NC)[C@H]1CCC[C@@H](CC)CC1	1997113524	BKGFJBKDTKBLEV-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCNC[C@H]1CCC[C@@H](C)CC1	1997211751	QBLGBZGWAIFANQ-ZBFHGGJFSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H]1CC=CCC1	1997545888	HCZWYTDTQBUDQY-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@]1(C(=O)c2ccc(C3CC3)s2)CC=CCC1	1997611796	OANTYYYDLYKQEN-HNNXBMFYSA-N	246.375	4.555	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)C1CC2(CCC2)C1	1998647960	AXPVSRSRWHUYFN-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
Cc1cc([C@@H](N)C[C@@H]2CCC=CCCC2)cs1	1999979015	LFSGZSQZHLWAMZ-HIFRSBDPSA-N	249.423	4.583	0	10	BJAE	
CCC(CC)(CC)[C@H](CCC(C)=C(C)C)NC	2000320689	NVAITOAELQQWEB-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H]1CCC1(C)C	2000378798	IMUAFYJCDCTDJO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)[C@H]1CCCC(C)(C)C1	2002981486	BZOGRPJXXVJMPT-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(N)[C@H]1CCC[C@@H](C)C1	2002997108	AFLGNHPXEZGPGA-FXUDXRNXSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](NCCC(C)(C)C)[C@@H]1CCCC(C)(C)C1	2003004749	HMWAXFWYVAOZMF-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H]1CCC1(O)CCCCCCCC1	2003121896	SHUQMJWUVBTUBL-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC1([C@H](N)CCC2CCC2)CCCCCCC1	2004922315	GPCCGTIJZOOVJV-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC1CCC(C)([C@@H](N)CC(C)(C)C(C)C)CC1	2007691964	OMQMNCDEOJZSBZ-BBBYJDLNSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@](C)(N)C1CC(C2CCC2)C1	2008404053	ABWXSGFWHUYQGH-GPANFISMSA-N	237.431	4.501	0	10	BJAE	
CCCC1CC(N[C@@H](C)C2CCCCCC2)C1	2009718258	VQMDLWRQQOHBAU-HLIUYOAVSA-N	237.431	4.514	0	10	BJAE	
CCCCC1CC(N)([C@H]2CCCC(C)(C)C2)C1	2009791237	JMEIYSHIQMVFSS-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)C1=CCC(C)(C)CC1	2010726153	NVUXFCDMWVOKEM-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](Nc1cccc(Cl)c1)c1occc1C	2012066238	XQQILAWLOMBINZ-ZDUSSCGKSA-N	249.741	4.805	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CCC[C@H]1C[C@@H]1C	2013307393	VSLPJOHLMGECDW-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC(C(C)C)C(C)C)NC	2015277375	GQWLZOPGOLOUCG-ZBFHGGJFSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC(=O)C[C@H](C)C(C)(C)C)C(C)C	2015387141	PCNZWUARDJCOSL-ZDUSSCGKSA-N	240.431	4.946	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1(CC2CC2)CCC1	2015743632	NNDZOAVYZKKQHK-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CNc1ccccc1C(C)(C)C	2017429465	ILKLSMFNLKPDMI-UHFFFAOYSA-N	231.383	4.752	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)CC2CCCC2)CC1	2017663288	QXMMCVXDTTVKSP-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@@H](CO)CC(C)C)CC1	2017712844	SLHKZPUFUAHMHH-GPANFISMSA-N	240.431	4.638	0	10	BJAE	
C[C@@H](C[C@@H](O)C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017715816	KKOQMMUDSCBAKB-ZQDZILKHSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCC23CCC3)sc1C	2017984230	BDRZONUZPXIJJP-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H]1CCC2(CC2)C1	2018130961	LZHIHHIKDXRNHN-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@]2(O)CCCCC[C@H]2CC)CC1	2018965439	QYTLBXQMOVVCOI-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@H](O)[C@@H](CC(C)C)C(C)C)CC1	2018973468	CQCBXAJIGVZZEQ-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@H]1C[C@@H]1C(C)(C)C	2022462548	AFRNIUITMRMJIL-LJISPDSOSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CCCCC(C)(F)F)C[C@H](C)CC	2023298197	XRWIPKVEXNTEOA-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H](CCC)CCCCCC(C)(F)F	2023299974	QZABMFAZMFDODK-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NC)C1=CCCCC1	2026165190	ZLKSXAZDPZAZLN-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCCC1CCC1	2026168253	YUAAQVYCUZBARO-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(C)c(C(=O)CC[C@@H]2CC2(C)C)cc1C	2027813862	ZVQNWYIDEPOKAR-CQSZACIVSA-N	244.378	4.621	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CCCC2(C)CC2)c(C)c1	2027824375	ZXWDKKFWDIWSFQ-HNNXBMFYSA-N	245.410	4.582	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)CCCCCC2CC2)c1	2028619624	UGMQJRYRODTTOF-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CC1(CC(=O)c2ccccc2C2CCC2)CCC1	2029076880	CPPJOFVVZGQOJC-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
C[C@H]1CCCC[C@H]1N1CCC2(CCCCCC2)C1	2032381825	NLLWZWSPIBGJNH-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@@H]1COc1ccccc1C(C)(C)C	2032477310	ASOSBUCHSVQCNH-ZIAGYGMSSA-N	246.394	4.799	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1CCC[C@H]1C1CC1	2032697496	FZRKWWMDUZOEKD-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CC[C@H](C)C1	2035601844	QIMWRKUFADZJCY-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)CC2CC3(CCC3)C2)CCCCCC1	2038087039	CPDMHVZZZYMYBI-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@@H]1C[C@H]2C[C@H]2C1	2038326889	IQSOTILFAFVFBJ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@@H](C)CC1CCC1)C2	2038935256	YSPHWCNPZJXGNM-ZFBLFJJNSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@@H]2CC=CCC2)CC1	2039381926	VCINIUWXPIPCDY-NVXWUHKLSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@@H]1C(C)=CCC[C@@H]1C	2039433389	BMEWHPVTJBQBRK-DMRKSPOLSA-N	249.442	4.523	0	10	BJAE	
C1=C[C@@H](N[C@H]2CCCC3(CCC3)C2)CCCCC1	2041290301	POJFNMOPSIYFQE-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@H](C)C1)C1(C)CC=CC1	2042017386	UGJBYGBBJUMUOK-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@@H]1CCC=CCCC1	2045307860	OWOARUNLXHFWNR-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)c1cc(C)c(C)cc1C	2045747616	ICUVZPIOYKVLEY-PXAZEXFGSA-N	247.426	4.699	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@@H]1CC(C)=C[C@H](C)C1	2045779768	PFOWBVIXPLHYER-RRQGHBQHSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C[C@@H]1CCC12CCC2	2047931120	CNVJHRRFTXTOFX-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@H]2[C@H]3CCCCC[C@H]32)C1	2048374637	ZBDUDPCVCTYDPI-WVCIDPQESA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C[C@@H]1[C@H]2CCCC[C@H]21	2048471355	HVNYCZHDNJABSL-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CCC(=O)c1cccc([C@@H]2[C@H]3CCCCC[C@H]32)c1	2049168846	AKCHKXAWGSUWLS-QLPKVWCKSA-N	242.362	4.573	0	10	BJAE	
C1CCCCC(NC[C@@]23CCCC[C@H]2C3)CCC1	2049669972	PDGGCXVVLWKEQD-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
C1CCCCC(NC2[C@@H]3CCCCC[C@@H]23)CCC1	2049677751	GNEMYPQGWDSHSZ-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NC[C@@]2(C)C=CCC2)CC1	2049980005	UXLQSOMSAZBOGO-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Oc1cccc2c1CCC2	2050414042	NNRRZVMHLYCNGJ-BBRMVZONSA-N	244.378	4.523	0	10	BJAE	
CC[C@]1(C)CCCN(C[C@@H]2C=CCCCC2)CC1	2051605091	UVLMVJQHHSVGJL-IAGOWNOFSA-N	249.442	4.635	0	10	BJAE	
CC(C)NC[C@]1(C2CC=CC2)CCCCC1(C)C	2053692651	YDLFGWJWSUVXLJ-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2055209204	IFUWWQLCNYYSPS-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@@H]1C)[C@]1(C)CC=CCC1	2055282784	PHWBRWCKXIMEQC-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CC(CC)C1)[C@@]1(C)C=CCCC1	2056651222	OSRNRANDGNDXIC-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)c1ccc(C)cc1	2056875274	FMDJZFLUQKCAML-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)c1ccoc1C	2056875902	LKBPYUFCIVYNCL-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
N[C@]1(C=C2CCCCC2)CCC2(CCCCC2)C1	2056909469	CHANQAZMPRQOQK-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
C/C=C/CCCN(C)C1CC2(CCCCCC2)C1	2059203363	JLUWNLQYWDSZMO-ONEGZZNKSA-N	249.442	4.778	0	10	BJAE	
CCCCC1CC(Nc2ccc3[nH]ccc3c2)C1	2059394046	PIWBWXWGAHSYGI-UHFFFAOYSA-N	242.366	4.549	0	10	BJAE	
CCCCCC1CC(N[C@H]2C[C@@H]2C2CCCC2)C1	2059394938	DEZAJYRRHFBCCI-BNICSPFPSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](CC2=CCCCC2)NC)CC1	2061099407	OZDQYKSENRYJMQ-RHSMWYFYSA-N	247.426	4.601	0	10	BJAE	
CC[C@H]1CC=C([C@@H](CC(C)(C)C2CC2)NC)CC1	2061148639	WMNRTFUUFDBPRO-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC[C@@]23CCC[C@H]2C3)CC1	2061604743	BHUDSAIGBAQXAJ-QBYUYEEZSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H]1N[C@@H](C)C[C@@H]1C1CCC2(CC1)CC2	2062819840	QXUNAYHEOJCHBK-IMJJTQAJSA-N	249.442	4.514	0	10	BJAE	
CC(C)(CCC(=O)C12CCCC1CCC2)C1CC1	2063860457	GQTJFUPEKZVORG-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC23CCC(CC2)C3)CC1	2065336112	XKOPIRHQTLFXII-PREGVCBESA-N	249.442	4.645	0	10	BJAE	
CCCC1(CC[C@H](O)c2ccc(C)cc2)CCC1	2069330360	HBGXOXJVCHPVNX-INIZCTEOSA-N	246.394	4.779	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2CCC=CCCC2)CC1	2069505290	LWVYUBNAMVMBTP-HNNXBMFYSA-N	248.410	4.908	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C1(CC2CCC2)CC1	2069579770	CWHDGEAXYOZHLL-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CC=CCCC[C@H](NCC)C1(CC2CCC2)CC1	2069584834	JBUJVCWEVXYUHS-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(CC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CCC1	2071917424	KQXUDUKLZORYKI-GUTXKFCHSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)C[C@H]1CCCc2ccccc2C1=O	2072409780	QXMDYLSKRHRQQE-OAHLLOKOSA-N	242.362	4.568	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2CC23CCC3)CC1	2072876546	BJMLYEIWPPEODJ-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@](N)(CC)Cc1cc(C)ccc1C	2073340719	NLLPCGJLUAXICG-QGZVFWFLSA-N	247.426	4.534	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@@]23CCCC[C@H]2C3)C1	2074027289	ZTBUFDDOUDYQLE-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@]23CCCC[C@@H]2C3)CC1	2074089572	DQWSVQWDDRNNDJ-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@H](N)c2cccc(C3CC3)c2)CC1	2074568932	MCHDGFCBZKOYDV-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CN(CCC1CCCCC1)C[C@@]1(C)C=CCCC1	2074887671	FDOXVHLLLPNMHB-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CC=C(CC)C1(N)CCC2(CCCCCC2)CC1	2077116535	FQOYERLICCWSDD-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1CC(CC2CC2)C1	2077196514	UNNROPUFOKIIKF-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1C[C@H]1C(C)(C)C	2079619993	OHFCWHFBHPLRFO-DZGCQCFKSA-N	245.410	4.904	0	10	BJAE	
Cc1cccc(NC[C@@H]2C[C@H]2C2CCCCC2)c1	2079643919	ZCSKTRNDPBCHRH-RDJZCZTQSA-N	243.394	4.623	0	10	BJAE	
CC1(C)CC[C@]1(N)C[C@H]1C[C@@H]1C1CCCCCC1	2079658685	BOKRYKGNELCCHZ-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2C[C@H]2C2CCCCCC2)CCC1	2079784194	AJEOKLBNPROFSN-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CC1(CN[C@H]2C[C@H]3CCC[C@H]2C3)CCCCCC1	2086157192	GODZANBNTUBEGR-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CCCC(C)C)CN[C@@H](C)CC	2212586931	DWODVEICPRFUHZ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1NCC1(C)CCC1	2212629310	YDMOHQXDAHEENC-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CC1CCC([C@@](C)(N)CCCCC2CC2)CC1	2214582481	PFEBZRCSWJGYNU-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@H]1CC[C@H]1C	2215094048	AAWIMAJCXZBGFO-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](O)C[C@H](C)CC(C)(C)C	2215237335	OZCVTOSACKVDPF-LJISPDSOSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)NCC1(C)CC2(CCC2)C1	2215320016	SVZXTRCFVWLHOY-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@H]2C[C@@H]2C)CC1	2215326302	XRKFAUUEQYRMMN-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@@H](CC1(C)CC(C)(C)C1)NC	2215393820	OGBMRQGYOYQHCA-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
O=C1CCCC[C@H]1CCCCCCCC1CC1	2216879144	HJFVLROUXHRWJI-OAHLLOKOSA-N	236.399	4.886	0	10	BJAE	
CC[C@](C)(CNC1CCC1)CC(C)(C)C(C)C	2217127141	VVVSJBIKZOVJET-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
C(CCCC1CC1)CCNC[C@H]1CCC12CCC2	2218715876	ZOELXJBKIZBVLM-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)C[C@@H]1CC12CC2	2218723621	GYPWGLMBEDYBMD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1CC12CCCC2	2218727686	VXMBNZJWRJCVLS-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C[C@H](CC1(C)CC2(CCC2)C1)[C@H]1CC[C@@H](N)CC1	2221031489	HDEGQHIDDIDTDZ-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(OCC2(C)CC3(CCC3)C2)cc1C	2221074871	ATWUSVIWPAHIKI-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CC1=CC[C@](CNC(C)C)([C@H]2CCC[C@H]2C)CC1	2221664517	TYFHBSOOGKIZII-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
C(CCCNC1(C2CCC2)CC1)CCCC1CC1	2223152498	OUOFHAASEBXQRP-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](CCC[C@@H](C)CCCC(C)C)NC	2244844522	BINCOCBKVIEQGK-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](CC[C@H]1CCC[C@@H](C)C1)NC	2246732553	LXWKRBJLMSZVLD-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCCC[C@H]1C[C@H]1C)C(C)(C)C	2247112352	LBZAPQDPUOTONG-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@]1(O)CCCCC1(C)C	2247123843	YKXDTSWREBDUOW-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@](C)(O)C1(C)CCCC1	2247129765	QJYVLWSXOFQILA-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CN(CC)CCCC[C@@H]1C[C@H]1C	2247159247	LYLROAVTSRTYFV-GDBMZVCRSA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](O)C1CCCCCC1	2247164641	OLFQRWNEAMHGPA-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@H](CCCC[C@@H]1C[C@H]1C)NC	2247170851	JOQIQSGIMRUYMN-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@H](O)C1CCCCCCC1	2247309934	XRLYMUTYDXBCEJ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H]2CCC2(C)C)CC1	2247401719	WHVYVXRUBAEYQI-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)CCNCCCCC[C@@H]1C[C@H]1C	2248867069	SWCAPCBEFMCFDD-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@](O)(CCCCC[C@H]1C[C@H]1C)C(C)(C)C	2248869785	JXYWBEUDCONMGM-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H](C)Nc1cccc(C(C)(C)C)c1	2249262648	CFEJJSWZYLBTGI-CYBMUJFWSA-N	233.399	4.831	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCCC(C)(F)F)NCC	2250356420	FCTKSPVVCSTBHM-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)c1ccco1	2250481552	NDCDYPAMHDXTDR-KGLIPLIRSA-N	237.387	4.522	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H]2CCCC23CC3)C1	2253911539	SQZDOTDWHILEQG-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)CC1CC2(CCCC2)C1	2254121473	CPJWNTTXTMUSRH-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)CC1CC2(CCCC2)C1	2254125728	QJUWEFCHNBDRCI-HOCLYGCPSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC([C@@H](N)CC[C@@H]2CCCC23CC3)C1	2255275864	NBNNBDHXNFZUEO-PYBGIAKNSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@@H](N)CC2(CCC)CC2)cc1	2256295950	LHSTXYKCMVMIFG-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@@]23CCCC[C@H]2CC3)CCC1	2260509594	WLBIIBKCDWHOLE-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(CC2=CCCCC2)C1	2261379205	NUDOTTIFBWSENN-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@@H](N)C[C@H](CC)C(C)(C)C	2298126330	VICLSCFOQWNAIL-LJISPDSOSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@@]12CCC[C@@H]1CC2	2298718263	SZDBUAJVQZUGCN-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@H](C)CC1CCC1	2298863934	GYGKZBDKIQGNAH-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@@H](C)CC1CCC1	2298913013	BOCKRFSUFGWDJT-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@H]1CCC2(CC2)C1	2300496886	PBCUJBPBENWMRB-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](C)[C@@H](N)c1ccccc1	2300678702	MPMNNSAFFAALFE-XJKSGUPXSA-N	233.399	4.539	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@@H](C)C(C)(C)C	2300687566	DHCWNHWCQANHPO-UKRRQHHQSA-N	241.463	4.863	0	10	BJAE	
CC(C)C1([C@H](N)CC2CCCCCC2)CCC1	2301136737	AKNCECKUHXGPHR-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CC2CCCCCC2)[C@@H]1C	2301206390	BBVFITCAJDQNIY-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)CNCCC(C)(C)[C@H](C)[C@@H](C)C(C)C	2301830963	AMRDVVSETHQHRN-LSDHHAIUSA-N	241.463	4.577	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)n1ccc2c(F)cccc21	2301954287	YLDYPOJOMPJHAB-NEPJUHHUSA-N	233.330	4.634	0	10	BJAE	
O[C@@H](CCCCC1CC1)C1=CCCCCCC1	2302579307	IGPVXDCYWFROIB-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(=CC=CC1(N)CCCC1)CCCC(C)C	2302630800	QLMVZYJNEAGQSI-UHFFFAOYSA-N	235.415	4.587	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@H]1C(C)(C)C	2303403111	XCLBTQAUKFQIJN-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)CCC2CCC2)C1	2304414839	CNDKEMSOLWTXKU-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC[C@@H]2CCC(C)(C)C2)C1	2304435416	OGDQVNJJNYQKBM-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC=CCCCNc1cccc(C(C)C)c1F	2307559560	PXVQEIUHPNZJLP-UHFFFAOYSA-N	235.346	4.717	0	10	BJAE	
CCC[C@H](CC)CN(C)CC(CC)(CC)CC	2307763837	QHMPLPNNQHPUAS-HNNXBMFYSA-N	241.463	4.961	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCCCC12CC2	2307898740	MLEHJIPXUPJNPD-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@]1(C)CCCC1(F)F	2307910752	ZOTMANOSFAPPLE-AAEUAGOBSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@@H](C)CC(C)(C)C	2307911850	YRAZHWLNIWTOPZ-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
O=C1CCCCCCCC[C@H]1C[C@@H]1C[C@H]1C1CC1	2311477967	YVERIQDRDVEQSS-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](c1ccc(C)c(CC)c1)[C@H](C)C(C)C	2314714360	YRZOBKHSHNDZCW-RHSMWYFYSA-N	247.426	4.500	0	10	BJAE	
CC(=CC[C@]1(N)CCC[C@H]2C[C@H]21)CCCC(C)C	2316535655	JASUFPVNYCTSRO-GVDBMIGSSA-N	249.442	4.667	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)C[C@H]2C=C[C@H]1CCC2	2316731051	UVQKBNDYJQRKOR-ANQUJSFKSA-N	249.442	4.523	0	10	BJAE	
CCNC[C@]1(CC2CCCCCC2)C=CCCC1	2316929845	ZKYULTLFYNPZJN-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)C1CCCCCC1	2318562411	VNOJZWPISWXLRG-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
C1=C(CCCc2cccc3c2CCC3)CCCC1	2318577606	GHBQHYPBDQVSEC-UHFFFAOYSA-N	240.390	4.998	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(CCCC2=CCCCC2)C1	2318582812	IDXBPZLIQMFVBL-WBVHZDCISA-N	249.442	4.812	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@@H]1CC1(C)C	2318587901	DFXPBMAWLHZPEW-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccc2[nH]c(C3(C)CCC3)cc2c1	2318852641	SQARUGHLJCCFKD-UHFFFAOYSA-N	241.378	4.907	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C1=CCCCCC1	2318882493	ZIBUNZSHPYWWAH-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2318939249	RPDZLZWAICRMPC-FITYOTRXSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC[C@H]3C[C@H]32)cc1C	2319248941	IQUVPWCSVSXDQM-USXIJHARSA-N	243.394	4.548	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC[C@H](O)c1ccccc1	2320241512	VBFMPXBKRXVBNZ-IMJJTQAJSA-N	246.394	4.573	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@@H]2CC[C@@H]2C(C)(C)C)CCC1	2320245863	DSXGLUVTGZRFLY-YQQAZPJKSA-N	249.442	4.667	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2CCC(C)=C(C)C2)CCC1	2320326841	IGRYWAOGJFVTFR-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@@H]1CCC(C)=C(C)C1	2320330172	WMRPRQGVDSMLME-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)c2ccccc2C)CC1	2320338610	WULWCLMQCNYHLU-MRXNPFEDSA-N	243.394	4.568	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@H](C)C2CCCC2)CC1	2320423170	KRHFDFHYRRRDGJ-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
O=C(CC1CCCCCC1)[C@H](CC1CC1)C1CC1	2320697451	WPAMMSXUNAWNBE-MRXNPFEDSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)NCC1([C@@H]2CCC[C@H](C)C2)CC=CC1	2326699013	JDFKQZKRHLJKBI-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCCCCCC(=O)Nc1ccc(C(C)C)cc1	6041979	ROXLUQRNKPIHQP-UHFFFAOYSA-N	247.382	4.719	0	10	BJAE	
CCCCCC[C@H](C)NC1CCC(CC)CC1	34995357	WKJQOCJVIVZKJF-FHERZECASA-N	239.447	4.904	0	10	BJAE	
CCC[C@@H](NC)c1ccc(C2CCCCC2)cc1	35496465	FGTJLGSLFIVBJY-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CCC[C@@H](C)N[C@H](c1ccccc1)C(CC)CC	37107768	OVRVBZQTUDWTDI-PBHICJAKSA-N	247.426	4.942	0	10	BJAE	
CC(=O)c1cc(C)c(-c2cc(C)cc(C)c2)s1	42732172	ZMSPFIYVLWZNFV-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CC[C@H](C)CN[C@H](C)c1ccc2ccccc2c1	54467261	CTWABUBODYGZRH-UONOGXRCSA-N	241.378	4.537	0	10	BJAE	
CC[C@H](N[C@@H](C)C1CCCC1)c1ccc(C)cc1	70533230	HVMBTYMVJMRWEX-YOEHRIQHSA-N	245.410	4.614	0	10	BJAE	
Cc1cccc(Cl)c1NCC1CCCCC1	85387760	HEDMOMJUHYHUMC-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCC[C@H](C)CC1	86879178	DEAJOVYEDHJPLB-FZMZJTMJSA-N	235.346	4.515	0	10	BJAE	
CCCCCCC1(CN)CCC(C(C)C)CC1	87961084	GTQBXSIJCDKJGQ-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CC[C@H](C)C[C@@H](C)Nc1snc2ccccc12	90869242	DFDPQMMCCWRWLY-WDEREUQCSA-N	248.395	4.533	0	10	BJAE	
CCCC[C@@H](CCCc1ccccc1)NCCC	93074068	FMCLMOYIOKDDKY-KRWDZBQOSA-N	247.426	4.568	0	10	BJAE	
CC[C@H](C)[C@H](CNC(C)(C)C)c1cccc(C)c1	93190256	QJKORMBXQRAXLJ-HOCLYGCPSA-N	247.426	4.513	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	109944398	FDIQLIPJVMIGJU-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](CCc1ccccc1)NCC	111235691	HXBURAHYOLRQLY-QGZVFWFLSA-N	247.426	4.568	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Sc1ccc(N)cc1C	111744547	IPRYBYYSSATOMU-WFASDCNBSA-N	249.423	4.638	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H]1CCCC[C@@H]1CC	111746828	JHBNTESBHLVVCH-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CCc1ccccc1	111817419	ZPEIRLIZAUZDSB-RDJZCZTQSA-N	248.410	4.587	0	10	BJAE	
CCc1ccc(-c2ccccc2Cl)cc1	116697792	XMUPAYYXUAMWIR-UHFFFAOYSA-N	216.711	4.569	0	10	BJAE	
CCCCCC[C@@H]1CCCC[C@@H]1CNC(C)C	130150744	DHWTXLLQUZCXPD-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C)c(O[C@@H]2CC[C@@H](C)[C@H](C)C2)c1	130379152	WRJKGDQKJCWFAM-BPLDGKMQSA-N	232.367	4.507	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(C)(C)CCNC(C)C)C1	133930156	GHWMXSARWNFVOB-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C1CCCC([C@H]2CCCC[C@@H]2CNC2CC2)CC1	150089354	DBDDIIXOCPQNCG-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1	161701126	OPQARDZATPOVDG-XEVLESSRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@]1([C@@H]2CCC[C@@H](C)C2)CCCCCN1	218180737	PASISBQAJZZFPB-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CNc1ccc(-c2cc3ccccc3s2)cc1	222152808	CPRGJDVPGYDMQQ-UHFFFAOYSA-N	239.343	4.610	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1CC[C@@H](CC)[C@@H]1C	225227442	SZTUBEPDOWCGGH-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CC[C@@H](C)C1	227379748	QBFYKLNNOIYFAX-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cccc2ccsc12	229330033	WUFUIFAWYLPFKB-SNVBAGLBSA-N	232.348	4.520	0	10	BJAE	
O=C1CCCC[C@H](c2cccc(C3CCC3)c2)C1	229634134	GPLGAEXKWNKIHF-INIZCTEOSA-N	242.362	4.571	0	10	BJAE	
CCCCCC[C@@H](NCC)C1(C)CCCCC1	232966606	VUYNTVILSYJFIX-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC[C@H](C)[C@@]1(N)CCC[C@@H](CCC)CC1	233343368	BQRPTNPPSLPPNG-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)C1CCC(C)(C)CC1	233350730	WOCICVCXCOWWDE-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H]1C[C@H](CCC)CC[C@H]1NCC	250803058	DMPMEIPEKLMOEY-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@H]1CC[C@H](C)C1	251261899	BYFNQAULKPPKGG-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](Oc2ccccc2Cl)C1	252088762	GVSXJFSFOQYKJD-GDNZZTSVSA-N	238.758	4.544	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@H]1/C=C/CCCCC1	302304086	AMHMWTDSMRADCE-UALAWIBXSA-N	243.394	4.535	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1ccccc1C1CC1	302425824	USLBYFOEYPBKPI-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCCC)C1CCCCC1	305988169	IXBFAHAQTJYFCR-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Fc1cc2c(Cl)cc(C(F)F)cc2s1	307531483	VJTLPMLLQYUWOV-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@@H](CCC)CC(C)C	308059674	STIQHUFLUVTJEC-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(Sc2cccc(N=O)c2)cc1	309355693	SVBPXZVMAYBQKB-UHFFFAOYSA-N	229.304	4.544	0	10	BJAE	
CCCCCN[C@@H](c1cccs1)C(C)(C)C	310022249	NXNYYIZSJQFADW-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)C[C@H](C)C1CCCCC1	310556774	IMSZKQYFHYVABJ-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](CC(=O)c1ccccc1F)C1CCCCC1	311134896	DPORKRHOSMVAOY-LBPRGKRZSA-N	248.341	4.615	0	10	BJAE	
CC(C)(C)NC[C@H]1C[C@@]12CCCC21CCCCC1	313026170	FSYIEXAKDDAUMZ-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@]1(CNC2CC2)CCC[C@H](C)C1	317805100	SMCNWMNOWXMRAH-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@]1(CNC(C)C)CC[C@@H](C)C1	318136519	XYASKTWWLSEMNH-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@]1(CNCCC)CCC[C@@H](CC)C1	319275240	LXJDIVHIYYEEJQ-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)C(C)(C)C1CCC1	322327396	TZAPREXLYMSBFI-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(n2ccc3cc(F)ccc32)C[C@H](C)C1	380412881	FIHHORBBWWFTIF-VXGBXAGGSA-N	245.341	4.778	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@@H]2CC3CCC2CC3)cc1	382267444	YLVCFQPPHCRKLL-GIOUXUJVSA-N	243.394	4.622	0	10	BJAE	
CCN[C@H](C1=CCCCC1)C(C)(C)C(C)(C)C	383867724	PDNFCHGTIUNVHE-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cccc2ccccc12	385350974	PQIYBGDVLBMKNC-DYVFJYSZSA-N	242.362	4.700	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](O)(CC)C1CCCC1	387599971	VQYLVAXCKNHFNM-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C)[C@H](CC)CCCCCC(C)C	394763178	OEUDUPXBNHDSRD-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCOc1csc2c(Cl)ccc(CC)c12	396183719	AIKQBRLDLRPDMO-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc(F)cc2scc(C(F)F)c12	396204927	XQRUQLFMKWBFMF-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cc2c(F)csc2cc1C(F)F	396226406	XWXCYJOBHYDDLN-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)CCC1CC1	398242546	ZXORVXPOVIHBHG-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCN[C@H](CC1=CCCC1)C1CCC(CC)CC1	400480664	WLWHFHCRJVXZMT-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2CC=CCC2)cc1	402339413	NXKDSTJCOZIQRY-LSDHHAIUSA-N	244.378	4.935	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C[C@H]1CC=CCC1	402382165	ZLSWKOGORVPXJG-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(CC(=O)CCC1CCCCC1)C1CC1	405771335	KXOSVXYYSILJID-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)CCC(C)(C)C1CC1	406090210	YBCBEURILSZQDV-DZGCQCFKSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](Nc1ccc(C2CCC2)cc1)C1CC1	690162350	UPOJFIMHXYDGRL-QGZVFWFLSA-N	243.394	4.945	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](C)CC(C)(C)C	691155059	SPJXQIQSRPJMNY-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CCc1ccc(N[C@@H](C)C(C)(C)C)cc1Cl	695656211	PEQMDBYWKCKRTB-JTQLQIEISA-N	239.790	4.749	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1CCCC[C@@H]1C1CC1	696106244	AOQZKCRLVHJTTB-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H](C)C1CCCCC1	696680379	YARDGMIYZAUZRN-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCCC1(C)C	696807804	KZSMKMPCQLEQOU-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCCOc1cccc2ccccc12	697784404	MMPACDVSXQBDNN-UHFFFAOYSA-N	226.319	4.575	0	10	BJAE	
CCCCCC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	699079244	RNWPZNDYEAIQSF-DOMZBBRYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)C(C)(CC)CC	701242760	FMMWNULBAXKZCJ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H](C)CC(C)(C)C)cc1	704684179	HPSMYKYTLVFQOJ-CZUORRHYSA-N	248.410	4.916	0	10	BJAE	
CCC[C@](N)([C@@H]1CC[C@@H](C)[C@@H](C)C1)C(C)(C)C	704909671	BANXLOBSQWELOE-CTASWTNQSA-N	239.447	4.602	0	10	BJAE	
CCCC(N)(CCC)c1cccc2ccccc12	704933339	MJDQVTRCGIMJJV-UHFFFAOYSA-N	241.378	4.594	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CCCC[C@@H]3C)c12	704974813	DQPPOCGEUKEXOR-XJKSGUPXSA-N	241.378	4.955	0	10	BJAE	
CCCN[C@@H](c1coc(C)c1)C1(CC)CCCC1	706389620	PDWMFZUVRYXXKW-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC(C)(C)CCC[C@](C)(O)[C@]12CCCC[C@@H]1C2	709171904	YUAOETJEBBFYKJ-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](NC)C12CCC(CC1)CC2	710322364	QMQBYTCNQWEJLL-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@@H](O)CC1CCCCCC1)C(C)(C)C	710703153	NWMNEZFDSGDQIF-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CCc1cccc([C@@H](O)C[C@H](CC)C(C)(C)C)c1	711087648	OQYQPKSBIYMZFP-HOTGVXAUSA-N	248.410	4.745	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C12CCC(CC1)C2	711096196	GJDXMPIZIVYHNN-VQCLRJIVSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](CC(=O)Cc1ccccc1C)C(C)(C)C	711148100	QAKPZEJZUFNYHF-HNNXBMFYSA-N	246.394	4.569	0	10	BJAE	
CC[C@@H](C[C@@H](O)CC1(CC)CCC1)C(C)(C)C	711178998	KDDUKOBKMHNVNR-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)CC[C@@H]2C)cc1C	713056475	DUKQMZOKOMFLLL-BBRMVZONSA-N	245.410	4.930	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](CC(C)(C)CC)NC	713174953	LFXSSIAVMBFOIE-JKSUJKDBSA-N	247.426	4.595	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)C1CCCCCC1	713744041	ICXCCSKBKOFVFV-FUTAKVPZSA-N	249.442	4.847	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@H](CCC(C)=C(C)C)C1	718522266	YWUIDCIBWHMMSO-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCCC(C)(F)F	718655083	RTJPOHWFAPTMIT-NSHDSACASA-N	234.330	4.597	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C1=CCCCC1	720977768	OIBDVGQWSPUFAC-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](NC)c1ccc(C(C)C)cc1	723063556	WDJYMHMJYXSJRE-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@H]2C[C@@H]2CC)CC1	723145199	ZRIZOWODESVLQH-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
C1=C[C@@H](CCCNCCCC2CCCCC2)CC1	1308926732	PMDGDQFVJQGWOB-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C=C/C=C\CCS[C@@H](C)c1ccc(OC)cc1	1458922744	QLXDJRLNCRABGW-SZZPACECSA-N	248.391	4.622	0	10	BJAE	
Cc1ccc(S[C@@H]2CCC[C@H](C)C2)cc1	1472938378	GIGDLBSHDJMMFY-GXTWGEPZSA-N	220.381	4.666	0	10	BJAE	
C1=C(CCN2CCCC[C@H]2C2CCC2)CCCC1	1473613927	OTZOIQXCXCEAIQ-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
Cc1cccc(C)c1CS[C@@H](C)C(C)C	1559378457	CIBITMAFCRFAOS-ZDUSSCGKSA-N	222.397	4.581	0	10	BJAE	
CC(C)CCN1C[C@H](C)CC[C@@H]1c1ccccc1	1643044343	GVOAGOBWUDQIQQ-NVXWUHKLSA-N	245.410	4.506	0	10	BJAE	
c1ccc2c(c1)CC[C@H]2SCC1CCCCC1	1651780438	JEPLFVHVVUIAAD-MRXNPFEDSA-N	246.419	4.987	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC[C@H]1CCC[C@@H](C)C1	1655042295	HTATZQNHCHFFNJ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)c1ccsc1	1900858456	OVPPHMRHIJBMJD-CQSZACIVSA-N	237.412	4.535	0	10	BJAE	
C[C@@H]1CCC[C@H]1c1nc([C@@H]2CC2(C)C)cs1	1901913141	WOURTBLTPNHPID-MXWKQRLJSA-N	235.396	4.560	0	10	BJAE	
CC(C)CC12CC(C[C@H]3C=CCCC3)(C1)C2	1903369811	KEAYDPGUXUUPRZ-FHERZECASA-N	218.384	4.949	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1ccc(CC)s1	1905385672	BYLXLFPZDMQVDD-YPMHNXCESA-N	240.412	4.560	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)CC1CCCCC1	1908552843	TYOLZMWSRIBWOL-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(N)(CCC[C@@H]2C[C@@H]2C)CC1	1908570738	LDJUUQRDTYFBJA-QRNKSROTSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCC[C@@]1(CNCC)CCC[C@@H](CC)C1	1911794442	LTCMPRPUKYDCND-IAGOWNOFSA-N	249.442	4.705	0	10	BJAE	
CCN[C@H](CCC=Cc1ccccc1)C(C)(C)C	1911976464	WLMVVBTUTYYXRV-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C(=O)C[C@H](C)C[C@H]1C	1916086691	PLRYVUOSNCKWFN-KBXIAJHMSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@](O)(CC)c1ccc(C2CCC2)cc1	1919477143	GYFZPZBMGQMVCN-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
CC1(c2cccc(NCC[C@H]3CC3(C)C)c2)CC1	1921560438	CFYQOLAJXXKDSO-AWEZNQCLSA-N	243.394	4.586	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CNC2CC2)CCCC12CCC2	1921614844	JBHRWGNAKYXZSX-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@@H]1CCCC12CCC2	1921623698	FGHGYWORYMLOOS-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NCc2ccccc2)cc1F	1923663097	IQNPIABKTZMLEP-UHFFFAOYSA-N	243.325	4.561	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2C=CCCCC2)CC1(C)C	1925757426	NCFOXGSOHMWQOU-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC1(CCNC[C@@H]2C=CCCCC2)CCCCC1	1925910878	FAFBMCYXAYSXDK-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)c1cccs1	1925931605	BMSOZVRQEQUTKK-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H](CCC)C(C)C	1936206603	IBBYINBIMKJSDJ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](C[C@@H](N)CCCC1(C)CC1)CC(C)(C)C	1940862196	GYBXZHFQMHDUTC-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CCCC2CC2)CC1	1941583763	IPYYJFNSGODGSB-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C1(C)CC(C)C1	1941984512	VSFGUIQPGNFXGU-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@@H](C)CCC(C)C	1942665139	VVLWFQBTRSAGTC-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@]12CCCC[C@H]1CCC2	1944155099	BFBABKDJVYZKAX-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
Clc1cccc(NC2CCC3(CCC3)CC2)c1	1944601025	ZKZHYRDMXLNSCJ-UHFFFAOYSA-N	249.785	4.865	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@H]1CCC[C@H]1C)C(C)(C)C	1944831396	KPVRJFKOZMYWOZ-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)C(CC)CC	1947575144	FKXXOJXTJAZYGI-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2C=CCCC2)cc1	1947575528	IGQFMVBNTKTMQK-AWEZNQCLSA-N	229.367	4.578	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CCC2)c1ccsc1	1947881237	LZEPMEUPRSHUFZ-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@H](C)CC(C)C)cc1	1948327556	PTCUKZHSBGTPRG-ZIAGYGMSSA-N	233.399	4.732	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CCCC1(C)CC1	1949052414	AXCTVVCKUQJFCE-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCCCCC(=O)CCCCCOC(C)(C)C	1949735839	IBCIGRQDQMWJKI-UHFFFAOYSA-N	242.403	4.511	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](O)C2CCCCC2)CC1	1950913278	GBOKDXCQIYPFFP-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)[C@@H]1CCCC(C)(C)CC1	1950914648	RQXHOOZNNDLEOC-BYNSBNAKSA-N	240.431	4.636	0	10	BJAE	
CCC1(CC(=O)[C@H]2CCC[C@H](C)CC2)CCC1	1950929274	GDXDQIBPXHOWKR-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@]1(CNCC)CCC[C@@H](C)CC1	1950929968	LOBKWTWJIQCYNB-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@H](CC)CN1CCCC12CCCC2	1963229832	UVRKPXXXHFWBGF-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
C[C@@H](CNC[C@@]1(C)C=CCCC1)C1CCCCC1	1967837129	MXQSRHMVHZBLQW-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC(C)C[C@H](C)CNc1ccc(C2(C)CC2)cc1	1967845781	NLIFDEJVZJQUTP-AWEZNQCLSA-N	245.410	4.832	0	10	BJAE	
CCc1cccc(N[C@H]2CCCC3(CCC3)C2)c1	1968340513	ZIEHFAZXQIPFBU-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
Cc1ccc(OC[C@H]2CCC(C)(C)C2)c(C)c1	1968396607	NZKZBTBXFMOKKB-AWEZNQCLSA-N	232.367	4.509	0	10	BJAE	
CCCC1CCC([C@@H](C)N[C@H](C)CCC)CC1	1968898587	DHGRWQFEBSERGF-WXLSXGNJSA-N	239.447	4.760	0	10	BJAE	
Cc1cccc(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1F	1969472541	YDRPMYMBDYOKPS-IMRBUKKESA-N	249.373	4.618	0	10	BJAE	
CCC1(CC)CCC(NCC2CC3(CC3)C2)CC1	1973087431	RGIWVCNQMSAUIM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NCC(C)(C)CCC)[C@@H]1CC1(C)C	1973163482	FIYNDILPRNXYAL-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCC(C)C)CCC(C)=C(C)C	1978497282	JCEVKTFIVOKLAZ-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1csc(C(F)F)c1	1978583092	RLDCILDGFCGPCX-UHFFFAOYSA-N	246.322	4.551	0	10	BJAE	
CC[C@@H](CC(=O)CCC1(C)CC1)C(C)(C)C	1984627403	MHLUBSSYHXWCOW-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@](C)(O)CC1(CCC)CC1	1990613315	MCKWTMNGNDKKAR-AWEZNQCLSA-N	226.404	4.678	0	10	BJAE	
C[C@@H](C[C@](C)(O)C1(C)CCCCC1)C(C)(C)C	1995991932	SYPTVDOWEDIUOT-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)C1CCC(C)(C)CC1	1996555437	VXHLAANQVRNKQQ-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](CC)C1CCCCC1	1996588080	BXPCEMDKIMAWOT-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@]1(C)CC=CCC1	1997545534	DBAPJSYUAAIYBT-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@H](C)CC(C)C)NC	2000321456	CTPQKCJWKKBKBK-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC(CC)(CC)[C@H](CCCC1CCC1)NC	2000332745	LHSCQBZTDOKFSK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@H]1C=CCCC1	2000509313	LUQLPQIORNFYPV-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@](C)(CCC)CCCC1CCC1	2000518345	MYBQYHQLFGPTNC-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H]1CCCCCC1(F)F	2000758285	UTBNKYPTNKVHDA-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC(C)(C)C1CC(C2(O)CCCCCCC2)C1	2002301823	FUIASHPRCGXOKE-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C(=O)C[C@@]1(C)CCCCC1(F)F	2002584848	CLURAKFRRZHIJW-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
C1=CCC(CCc2ccc3ccccc3c2)C1	2002889739	WTURKORQHGWNPG-UHFFFAOYSA-N	222.331	4.739	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C1CCC(C(C)C)CC1	2002928163	WTXLTVWFBSUHMA-XUJLQICISA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC(C[C@H]2CCCCCCC[C@@H]2O)C1	2003112274	SLPNMQXBURDBGJ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCCC2(CC2)C1)C(C)(C)C	2003274885	HLJDQKHJCFWKGM-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC[C@@H]2CC[C@H]21	2004802100	MYZRFEYLQWEHIS-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC1([C@H](O)CC2=CCCC2)CCCCCCC1	2004922775	KJZRAAQUFDOXQX-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1C=CCCC1(C)C	2006901081	KBVBKKZPUWVITO-KKUMJFAQSA-N	237.431	4.536	0	10	BJAE	
CCC1(CC)CC(N)([C@@H]2CCCC(C)(C)C2)C1	2009306260	JXXWAVFSGAWKCL-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	2009575371	ZFYDTEGKUPFNMO-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
CC=CCCC[C@@H](N)C1CCC(CCC)CC1	2009595797	LGPLGBDQMRDHTF-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@H]1CCCCCC[C@@H]1NCC	2009609861	BLOWYLCQRCVXLF-TVKHYIBRSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@H](N)c1cc2ccccc2s1	2009619112	IUMJUXBOWGEHCJ-ZDUSSCGKSA-N	245.391	4.648	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H]1CC[C@H](C)CC1	2009620397	VGRFOUBZYBXQKY-PSVUTLLTSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](O)C(C)(C)C(C)(C)C)CC1	2010726408	PNKGQMQXFRSXFO-TZMCWYRMSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CCC[C@]12CCC[C@H]1C2)NCC	2011023317	ZJSXGGSGBLOROI-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](C[C@]12CCC[C@H]1C2)NCCC	2011023944	HNFCWJZOUUIIHL-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCC(O)(CCC)CC1CC(=C2CCC2)C1	2011057717	RSWQVTQVKGXVGM-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@@H]1C)CCC(C)C	2011576871	NHQZNMWKMOOXQT-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@](CCC(C)(C)C)(CNC1CC1)C(C)C	2012427282	SNMIZXTVRPBQRT-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@](C)(N)CC12CCC(CC1)C2	2012833910	JKXQDXCJECBVFD-HWOWSKLDSA-N	237.431	4.645	0	10	BJAE	
CC(C)C(CC[C@H](O)[C@H](C)C(C)(C)C)C(C)C	2015337441	ZBTAAJVHCQADSZ-ZFWWWQNUSA-N	242.447	4.738	0	10	BJAE	
CC(C)[C@H](C)C[C@@H]1c2ccccc2NC[C@H]1C	2015396643	FRFXIPYYUUJSDF-NFAWXSAZSA-N	231.383	4.514	0	10	BJAE	
CCCC1(C[C@]2(N)CCCCC2(C)C)CCC1	2015643034	XPYQHDBRVXAQPN-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccc(F)c(C)c1	2016146593	YAQRUBWYRBWOQM-CYBMUJFWSA-N	235.346	4.681	0	10	BJAE	
CCCCN(CCCC)CC1(C(C)C)CCC1	2017125377	MFAPLNUBAVYLHV-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C1(C(C)(C)C)CCC1	2017133788	XDBGNFAZIJVVER-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC)CCC[C@H]1CC[C@H](C)CC1	2017735879	GPDQPXDANYKPSU-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C[C@H](C)C(C)(C)C)C1	2019198948	JNSBNUJFUKKDAT-ZNMIVQPWSA-N	239.447	4.569	0	10	BJAE	
CCCCCCN(C)C[C@H]1CCCC(C)(C)C1	2019292081	VHDNVZKDUCNAEJ-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CC[C@@H](C)[C@H](C)N(CCC(C)C)C1CCCC1	2019383654	DDSNABIGABNIMJ-CABCVRRESA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@]1(N)CCC[C@@H](C(C)(C)C)CC1	2020908165	QJIRQXCNFQAEDC-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@H]1CCCC(C)(C)C	2023606051	FZXYJEMPTQGHDD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)[C@@H](CC(C)C)C(C)C)c1	2028238838	FCTAHRMHVBJULR-RDJZCZTQSA-N	248.410	4.655	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)CC1CCC1	2028897195	JXVVOFXCVYNWOA-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCC2CC3(CC3)C2)CC1	2029885642	XOVHVLYCNRHPLA-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1cccc(C)c1C)C(C)(C)C(C)C	2032340210	XSFBGGMAIXLALV-MRXNPFEDSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)C(C)(C)C(C)C	2032347611	ZADICVCZORJVQW-MRXNPFEDSA-N	247.426	4.718	0	10	BJAE	
CC[C@H]1CCCCC1=C1CCNC[C@H]1CC(C)C	2032490079	JDJHBIMCIOPLGK-LSDHHAIUSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2032814456	BJLJPWCNUKMKSD-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(CNC2CC(C3CCCC3)C2)CC1	2033764364	KHLQHQCCONTFQQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1Nc1ccc(C2CC2)cc1	2035415704	ONVAUDHSFREQLO-DLBZAZTESA-N	243.394	4.801	0	10	BJAE	
C1=C[C@@H](Cc2cccc(OC3CCC3)c2)CCC1	2035559617	AKWBCFBGFYMZAU-CQSZACIVSA-N	242.362	4.517	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2C=CCCC2)CCC[C@H]1C	2035585084	BTDKEXQBYPNHBO-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CC[C@H](NCC)[C@H](C[C@H]2C=CCC2)C1	2035604022	YAMCVTNYKGGEPH-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@@]1(CNC2CC2)CC12CCCC2	2036107944	SCPGBCIXSJUNBI-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CC1(C)CCCC1)c1cccc(C)c1	2037105340	ZMUQWEAYHQZWLN-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2037134703	ZFQRNWWOUDYQRF-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
N[C@]1([C@H]2CCC3(CCCC3)C2)CCC=CCCC1	2037688009	WDVFNXVDPNUJGU-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](CC2CC3(CCC3)C2)C1	2038077597	AKTDOYVAXJBLBC-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CNC[C@]1([C@@H]2C=CCCC2)CCCC(C)(C)CC1	2039384465	IETOCLWUKRWNCF-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@H]1CC=CCC1	2042018954	KLMYCKYEKXQGFT-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(NC2(C3CC3)CCCCC2)C[C@@H](C)C1	2042949441	VRNWORQCNCNGAR-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCN(C)C1CC2(CCCCC2)C1	2046329456	XHLHAKSISFHXSI-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CN1CCCC12CCCCCC2	2046562067	NNOWQTLPAHOQGJ-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CCC12CCC2	2047941387	BYXSVOBKNOTLLY-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC12CCC2)C1CCCC1	2047942365	JTZOASMDNIOCBQ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CC1)[C@@H]1CCCC12CCCCC2	2048120262	JWDMPEKRLOFYIJ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C2[C@@H]3CCCCC[C@@H]23)CC1	2049202003	BDAOBAJZKPQBRZ-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CC1CCC([C@@H](N)CC2CCC3(CC2)CC3)CC1	2049857409	PSQQJIPQGQHVHX-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(=O)[C@@]12C=C[C@@H](CC1)C2)C1CCCCC1	2050009903	ZTEBXFPTLFONQI-ZQIUZPCESA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC(C)(CN[C@@]23CCCC[C@H]2CCC3)C1	2050109369	ZOIZRQXBKKVGQU-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCCC(C)C)c1ccccc1C	2050459296	VSHKBEBLXKDKPN-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H]1[C@H]2CCCCC[C@H]21	2051401525	MBVUKJLJSYIXGA-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1(CCN[C@@H]2CCC[C@@H]3CC[C@@H]32)CCCCC1	2052276878	LBDWIUIPPANPFZ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCC[C@H]3CC[C@@H]32)cc1	2052285823	CUXLQDXQDJKNEN-BHYGNILZSA-N	243.394	4.801	0	10	BJAE	
CCC(C)(C)C(=O)Cc1ccccc1C(C)(C)C	2053961333	SFFCULZTTJUFLK-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1ccc(CF)cc1	2055671133	FBMLJDWSACTHFF-CZUORRHYSA-N	247.357	4.560	0	10	BJAE	
CC(C)NC[C@@]1(CCC2(C)CC2)CCC12CCC2	2059171823	KUYDKTHQEWONFW-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@H]1CCC2(CC2)C1	2059179709	DKMRWJGNMVGWIH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCCN1CCC(C2CCCCC2)CC1	2059205786	DQKHCQQCMQVMAF-NSCUHMNNSA-N	249.442	4.635	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCC[C@H](CC)CC2)CC1	2061114322	XKJCZKDNUYBKCC-UXLLHSPISA-N	249.442	4.811	0	10	BJAE	
CCC[C@](N)(C1=CC[C@@H](C(C)C)CC1)C1CCC1	2061119927	SUTBOLBILDDJIU-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@]23CCC[C@@H]2C3)CC1	2061605314	FOKWSHGLFQBLRG-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](C)(CC[C@@]12CCC[C@@H]1C2)CNC1CC1	2061623079	PHYCKOXQOGKTCW-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063534960	DRBXAFUAJXDFAE-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](CC23CCC(CC2)CC3)N1	2066378823	SWSXLQHCMYSTNX-JCCCHCCOSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1(CC2CCC2)CC1	2070407278	FIUOPUXSAZJQRH-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCCC3(CCC3)C2)CCC1	2071946346	OZPAUNZILIINAN-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C12CCC(CC1)CC2	2072416501	GJOOUDGFJIGWEI-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1OC[C@H]1CC[C@H](C)CC1	2072875562	PJPVNPFATDPSSK-SHTZXODSSA-N	246.394	4.844	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@]12CCCC[C@@H]1C2	2074028571	ICAKFYFAXVUFIM-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCCC23CCCCC3)C1	2074888302	JPNQHKGBDTZZTA-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
CCC(C)(CC)CN(C)Cc1cc(C)cc(C)c1	2074921653	LTUWVULUMDMYCR-UHFFFAOYSA-N	247.426	4.562	0	10	BJAE	
CCC[C@@H](CC)N(C)CCC=Cc1ccccc1	2075147706	WZGXJRYXEKAEDV-QGZVFWFLSA-N	245.410	4.600	0	10	BJAE	
CC(C)(C)NC[C@@]1([C@H]2C=CCCCC2)CC1(C)C	2075362941	NYBPXHOJTOZAHJ-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@@](C)(N)c1ccc(C(C)(C)C)cc1	2077109867	MXVRJGAJNJMPNE-QGZVFWFLSA-N	245.410	4.514	0	10	BJAE	
O=C(CCCC1CCC1)[C@H]1C[C@H]1C1CCCCC1	2079486084	MEXHPZPMEZPNGU-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@H]2C2CCCCCC2)CCC1	2079640831	DRGBEBJTNGCTSN-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)C2CCCCCC2)c1	2082931116	ZCGRIMIZNMCACX-KRWDZBQOSA-N	245.410	4.582	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@@H]2CC[C@@H](C)C2)c1	2082957774	OFJKYDQCNFMBLK-IAQYHMDHSA-N	244.378	4.621	0	10	BJAE	
C=C=CC[C@H](C[C@@H]1CCCC(C)(C)C1)NCCC	2082974604	AUVIHHYNZNTCAF-JKSUJKDBSA-N	249.442	4.692	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCCC23CCC3)C1	2082980925	ZGBGGAMFNZXEEJ-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H](N)CCCCCCCC1CC1	2210525749	UUSVKFSGXBCRRE-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1N[C@H]1CCCC1(C)C	2213110078	SKRRQFRGABGONG-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)CCCCC1CC1	2214567447	DYWXIQCHOGVOMH-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCCCC2CC2)C1	2214571944	YSHDXOOBEUBAFZ-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
N[C@@H](CC1=CCCCCCC1)C1CCCCC1	2214766173	UCWJGJCKGFNCPK-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2CC[C@H]2C)cc1	2215117460	OGGJMCWTKIBZRS-GUTXKFCHSA-N	232.367	4.625	0	10	BJAE	
CCCC(CCC)Nc1ccc2c(c1)SCC2	2216720721	QYAMVOPNOBZDJP-UHFFFAOYSA-N	249.423	4.716	0	10	BJAE	
CCC[C@H](CCC(F)(F)CC)CN[C@H](C)CC	2217139429	HBMUEZFRZZGOMY-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218337171	FKGGCCOEWLEDSP-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC=C(C)C)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218353392	IDAKVLJEVBNPEQ-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CCC(C3CC3)CC2)C1	2218896251	FXMBZWOFRPYMNS-MFNRNEDNSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@@H]1CCC2(CC2)C1	2220029689	DRURQODMUJRJJG-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCCNC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222924216	YXODATHREYRNQN-YEDUIURYSA-N	249.442	4.539	0	10	BJAE	
C(CCCN[C@H]1CCCC12CC2)CCCC1CC1	2223154307	ISJCADFRLCBQJR-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCCCCC1(CNC2CCC2)C[C@@H]2C[C@H]2C1	2223592226	FRHUOPJWUKYLJK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)c1cccc2ccoc12	2224177072	GDPSQPMVBRUQMR-DOMZBBRYSA-N	245.366	4.505	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cc(C)cc(Cl)c1	2244782896	OOEPKBHUNXBASA-BXUZGUMPSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@@H](N)CCC[C@@H]1CCCCC12CC2	2246628678	ZUOHKVFLXCLFTA-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(NCCCC[C@@H]2C[C@@H]2C)c(C)c1	2247114844	JIKVJJMGSJQLSE-DZGCQCFKSA-N	231.383	4.542	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CCCC[C@H]1C[C@H]1C	2247176808	RWMVLCGDVISVIU-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@H](N)CCC1CCCCC1	2247312180	SOLKWGXSTPDRMN-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H]1CCC1(C)C	2247412568	BCEULALERYWWAG-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCc1ccc(NCC2=CCCCC2)cc1Cl	2247493857	BICYUEQEFAIERP-UHFFFAOYSA-N	249.785	4.815	0	10	BJAE	
CC1(CNC(C(C)(C)C)C(C)(C)C)CCCC1	2247754389	GKXFCRFRKCECCM-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC=C(C)C)CCCCC[C@H]1C[C@H]1C	2248820161	OEUFVWHFLSNDKM-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](N)CCCCC[C@@H]1C[C@@H]1C	2248845636	QMTAOGLRVLININ-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)CC[C@@H]1CCCCC12CC2	2253808524	PHXWTMZUEGMDPU-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](N)CC[C@H]1CCCCC12CC2	2253839176	MNLZAOJCVXCSRV-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCC1)CC1CC2(CCCC2)C1	2254110366	ADPUINDHBGDRHS-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2CCC23CCC3)CC1	2254983205	ZFHYEOZKJZIGHN-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCC[C@H]1C(C)C	2256145077	UIGZWPOWBSNPLY-ZFWWWQNUSA-N	249.373	4.625	0	10	BJAE	
CCCc1ccc([C@H](N)CCCC2(C)CC2)cc1	2256292856	BBUSGGCRXVJLPQ-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@H]1CCCCC12CC2	2257340433	OCJANMAMGUGLMJ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1ccc2ccccc2c1	2259445975	XWYPXSLZEUSVPQ-DYVFJYSZSA-N	242.362	4.700	0	10	BJAE	
CC1CC2(C1)CC(CC[C@H](N)C1CCCCC1)C2	2259563493	MVLGDMFFGDOQNZ-XRFBTWBJSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)C[C@@]12CCCC[C@@H]1CC2)C1CCC1	2260583879	RMYVGYIPLNVATJ-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@]23CCC[C@H]2CC3)CC1	2260653461	YVYFYWHUKLJYBB-VLVHBFOGSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(N)(C[C@]23CCCC[C@@H]2CC3)CC1	2260680142	VYMHLCZPMYDEHR-JCCCHCCOSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1CCC1(F)F	2299008459	UJTHIKWKLVJLQS-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C[C@H]1CCC[C@@H](CC)N1	2300184676	JHNMJFOHGIXRRN-ZJIFWQFVSA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@]1(CC=C(C)CC)CC[C@@H](C)C1	2300860578	IXFFPIHPFVDYSR-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC(C)=CCOc1cccc2ccccc12	2300861582	UEMDHWZRCCXNOC-UHFFFAOYSA-N	226.319	4.575	0	10	BJAE	
Cc1cc(CCCC(C)C)nc2ccccc12	2302229560	WOAJTVMFDUYFHQ-UHFFFAOYSA-N	227.351	4.522	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@@H]1CCC(C)(C)C1	2302764473	YJGLYJXYFMXBNG-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCNC[C@]1(C[C@@H](C)CC)CCC(C)=C(C)C1	2303469717	SDVYSMDLSGNKKI-BBRMVZONSA-N	237.431	4.539	0	10	BJAE	
CC[C@@](O)(C[C@@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303508473	OCUNMGOQNPDTMA-WOSRLPQWSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](C)(CN)C[C@H]1CCC(C)=C(C)C1	2303516165	MXUIPCWFVWBOME-HOTGVXAUSA-N	237.431	4.668	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)CC[C@@H]1CCC(C)(C)C1	2304408329	MMWYYWSMWSGRPP-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
C1CCC[C@H]2[C@@H](CC1)C[C@H]2NCCC1CCCC1	2309183629	OLGGYRGUPHWTAE-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
O=C(CC[C@H]1C[C@@H]2CC[C@H]1C2)CC1CCCCC1	2312953664	DBUZBSVTJFOQLY-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
CC(C)NC[C@@]1([C@H](C)CC2CCC2)CC=CCC1	2313582309	YGXDKBFMBDORNF-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H](CC)c1ccccc1	2316242105	AJJUVTXBDMHZDC-INIZCTEOSA-N	246.394	4.966	0	10	BJAE	
CC1(C)[C@H]2CC(C(=O)CC3CCCCCC3)C[C@@H]21	2316879843	HCGHGKDCGCQQJT-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(CN[C@H](C)[C@@H](C)C(C)C)cc1	2317668695	ZZHTVWWHOMRBBI-LSDHHAIUSA-N	247.426	4.580	0	10	BJAE	
CN[C@H](CCC[C@H]1C[C@@H]1C)CCC1=CCCCC1	2317905973	CNVJUHNZIDFUIF-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
O[C@H](CCC1=CCCCC1)CC1CC(=C2CC2)C1	2317965654	ZXDZATZUHXKPPQ-QGZVFWFLSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC=C([C@H](O)CCC2=CCCCC2)CC1	2317969376	MOYZZYCEIPATSW-MRXNPFEDSA-N	248.410	4.764	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)C1(C2CCC2)CC1	2318545644	KVQZVHVQGDYKTH-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
N[C@@H](CCCCC1=CCCCC1)CC1CCCC1	2318575261	COUGACLHPZOIJV-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@@H]2CCCC23CCC3)C1	2319123698	ZPTDZCMFHNALPD-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(CN[C@@H]2CCC(C)=C(C)C2)CC1	2320411368	DLVHEBVCNGYBKO-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)C2(C(C)C)CCC2)CC1	2320413334	RZWRNDLBWOLYOD-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C23CC(CC(C)C)(C2)C3)C1	2321588291	DSNSNWDFKKMIBP-ZGRYLRDCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)[C@H]2CC23CCCC3)C1	2321605167	JKLJLTQQBQPSGF-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@](C)(O)Nc1ccccc1C(C)C	2323918247	AFZFCKXPSPPOGX-INIZCTEOSA-N	249.398	4.511	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)[C@@H](C)c1ccccc1	2328267911	DJIFGQBISWGKBE-UXLLHSPISA-N	247.426	4.595	0	10	BJAE	
CCCc1ccccc1[C@@H](N)C[C@H](CC)CCC	2328269550	RKZXKTVMNIKGQZ-PBHICJAKSA-N	247.426	4.855	0	10	BJAE	
C1=C(Sc2ccccc2)CCCCC1	15781873	UXWPPZDETUOMQH-UHFFFAOYSA-N	204.338	4.627	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@@H]2C)c(Cl)c1	20471330	HLDYQEYUFGRJGK-WCQYABFASA-N	237.774	4.639	0	10	BJAE	
CCC(CC)[C@@H](N)c1c(C)c(C)c(C)c(C)c1C	21021518	FEKCXPVKVQTCLK-QGZVFWFLSA-N	247.426	4.665	0	10	BJAE	
CCC1CCC(Nc2ccc(F)cc2C)CC1	21500139	PDIATFASZYCEPA-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C)cc1	37032028	NBMXUTSYLAHBBI-UXLLHSPISA-N	245.410	4.614	0	10	BJAE	
CCN[C@@H](CC1CCCC1)c1ccc(C)cc1C	37864796	JPAREVCXWKHHFU-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCCc2ccccc21	69371054	SZZQMRGHWLAGRR-WBVHZDCISA-N	245.410	4.622	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](NC)[C@@H](C)C(C)C)cc1	70123025	HWFGLJSZQOMNRZ-KEYYUXOJSA-N	247.426	4.753	0	10	BJAE	
Cc1cccc(CSc2cc(C)ccc2C)c1	71783633	FGJYSMSPDGOZNQ-UHFFFAOYSA-N	242.387	4.904	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(F)cc2C)CC1	86893980	LANLZLMDNYMWCD-ZFWWWQNUSA-N	249.373	4.905	0	10	BJAE	
CCCCCC[C@@H](C)Oc1cccc(C(C)=O)c1	92025346	MWUUZOBWXCUGRD-CYBMUJFWSA-N	248.366	4.627	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@@H](C2CCCCC2)C1	93123336	WTESENCRVXVJBU-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCNCC/C=C(/C)[C@H]1CCC[C@@H](CC)C1	93675202	FCFDJCWQBPAEBD-NBWJXOEWSA-N	237.431	4.539	0	10	BJAE	
CCCc1ccc([C@@H](C)N[C@H](CC)CCC)cc1	103987280	USRUISFBPCVMMM-RHSMWYFYSA-N	247.426	4.868	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)(C)C)C1=CCCC1	104001210	WDKPLLRXWUGEAI-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(OC)cc1C	104012054	NCHGIRZABVZNSA-AWEZNQCLSA-N	249.398	4.632	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1cc(C)ccc1C	104048140	CLHNMMIROVJABT-GOEBONIOSA-N	234.383	4.553	0	10	BJAE	
CC/C=C\C[C@@H](CCC)c1ccc(N)cc1	107534832	IJYPDGTXTBDCCH-CFHLNLSMSA-N	217.356	4.509	0	10	BJAE	
CC(C)(C)c1ccc(C2(O)CCCCCC2)cc1	109696744	KQFCXRHWIVILRN-UHFFFAOYSA-N	246.394	4.526	0	10	BJAE	
CCCCCC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	110446069	WFNXSDYSHJHOEX-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@]1(CC2CCCCCC2)CCCN1	124246335	CJXNNIGQGDEXNQ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@]1(O)CCCC[C@H]1C(C)C	125845995	OKHRUDWCHBQKEE-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCCC/C=C(\Br)CCCC	139647899	QUOGMUYVLQRVEM-KTKRTIGZSA-N	219.166	4.646	0	10	BJAE	
CCCC(CCC)[C@H](NCC)c1ccc(C)cc1	211885159	QGSQKVAMFXNSKR-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC[C@@H](C)[C@H]2C)c1	227002890	DVIYYVKFUUBYCY-IIAWOOMASA-N	231.383	4.540	0	10	BJAE	
CC[C@H]1CCC[C@@H](CC[C@@H](O)c2ccccc2)C1	227236605	MTQNKHWMJNOAHL-YQQAZPJKSA-N	246.394	4.717	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1ccc(Cl)c(C)c1	229272950	PATWOVHNGVTGDA-HZMBPMFUSA-N	240.774	4.508	0	10	BJAE	
CC(C)(C)c1ccccc1[C@@H](O)CC1CCCC1	229294724	KCWXNQNGBGJDHZ-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
Cc1cccc([C@@H](O)CC2CCCCCC2)c1C	229349255	HKXHHQWXOCBCMP-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)c1cc(C)cc(C)c1	229495833	ZMZVYKQECNINKJ-GOEBONIOSA-N	247.426	4.636	0	10	BJAE	
c1cc(C2CCC2)cc([C@H]2Cc3ccccc3N2)c1	229630574	DDFYOAVDIAVIDV-GOSISDBHSA-N	249.357	4.663	0	10	BJAE	
C[C@H]1C[C@H](c2cccc3c2NCCC3)CC[C@H]1C	235387152	UVXFNWLPSRPJLZ-VNHYZAJKSA-N	243.394	4.584	0	10	BJAE	
O[C@@H](CCC1CCCC1)C1=CCCCCCC1	236527758	WOLFAVGXRSTMNW-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](CNC1CC1)C1=CCCCC1	302607312	XLJNHUWGNBKVCK-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
Clc1ccc(OCCC2CCCCC2)cc1	304155735	FJMOLXUNUCGWPL-UHFFFAOYSA-N	238.758	4.689	0	10	BJAE	
CCc1ccccc1[C@H](O)CCC1CCCCC1	305898710	WXZBAPHJCOYUSI-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CSc1cc(Cl)c2sccc2c1Cl	307154085	ULHLUOQXDDXDBX-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCC[C@H](N[C@@H](C)C1CCCCCC1)C1CC1	310239923	SQAORCJGBNVJIW-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](O)c1cc(C)ccc1Cl	313405528	BHSZRRKLULHKGO-CQSZACIVSA-N	240.774	4.652	0	10	BJAE	
CCCCC[C@]1(CNC2CC2)CC[C@@H](CC)C1	318241761	ZSQAXAOQHCCAQU-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](c1cccc(C)c1C)[C@H](C)[C@H](C)CC	320030339	JLRPZUZCYKZADT-VMGRFDJRSA-N	247.426	4.636	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C(C)(C)C1CCC1	322325132	RMKREMISKZOWHP-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)CC/C=C\c1ccccc1	324150746	OLNHQEDTODVDDH-KTDOTMJKSA-N	245.410	4.504	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CCCC(C)(C)C	379604466	AAPAZOGTEVEFCT-AWEZNQCLSA-N	233.399	4.520	0	10	BJAE	
CCC[C@@H](Nc1cccc2c1CCCC2)C1CC1	381021387	XNZWPWLSCXRRBC-MRXNPFEDSA-N	243.394	4.556	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CC1=CCCCC1	383237030	UTHTTZZFGPIEGJ-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
Cc1csc([C@@H](N)CCCCCC(C)C)c1	383393480	PKHSZLSFUZIEHU-ZDUSSCGKSA-N	239.428	4.663	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CCCC2)c1cccs1	392807029	CJCDCTSJJOVOJK-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
CC1(CCCCNC(C)(C)C)CCCCCC1	394689104	LLHPAIFQKFXTCV-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@@H](C)C(C)(C)C	399024239	GQQXDFKEOJBAPM-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCc1cccc(C(=O)[C@H](C)C(C)(C)C)c1	399176692	PXBZWEAOLYUIMA-LBPRGKRZSA-N	232.367	4.504	0	10	BJAE	
Cc1scc([C@H](N)C2=CCCCCCC2)c1C	399880833	TXDZDJQJBOYFHO-OAHLLOKOSA-N	249.423	4.645	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)C1CCC(CC)CC1	400480668	WLWHFHCRJVXZMT-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)C(C)(C)CC	402118368	APCWOTLYLXCWOF-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CCC[C@@H](C)C1	402132775	GFSUEAOOZRTYGM-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1(CC)CCC1	687585138	MIHNZJXGRILSHK-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCCC2CCC2)CC1	688894354	JYJTVFRGHXZCGH-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CC1CCCCC1)Nc1ccc(F)cc1	689736376	DSRNWZUZFVKUTB-LBPRGKRZSA-N	235.346	4.597	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H](C)CC1CCCC1	689827648	AGJDBOBSCXRWFQ-GJZGRUSLSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)C1CC(C)C1	691941824	OUWDJWNIORJYOI-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@]12CCCC[C@@H]1C2	693184760	RQOWHUJHGGVLBC-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)c1ccc2sccc2c1	700860031	FKTSAIRACLOEQH-MFKMUULPSA-N	244.359	4.520	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CCCC[C@@H]1C1CC1	704463208	NBEQWBVDZHYRCA-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CCC=C(C)C	704683119	NSMDHQUZQHRAHR-CABCVRRESA-N	225.420	4.523	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)[C@@H]1CCCC[C@@H]1C	704807626	CCLUWHMXBLJUJF-LISDIZSQSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)c1cocc1C	705295419	SXOROVHXTXGXKF-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
C[C@@H]1C[C@@H](NCC[C@H]2CC=CCC2)CC(C)(C)C1	706868392	LPIMJESSJKDGEP-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCC[C@H]1CC=CCC1	706959510	KELVBGJYVKJRFM-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)CC1(N)CCC2(CCCC2)CC1	707777584	OHROPJFFFJBAFI-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@@H](C)CC(C)(C)C	708311585	FRNXYDGKTPUJMU-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@@H]1CCCC2(CC2)C1	710134955	ILJPLLYXYHYVNO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@@H](C)c2sccc2C)cs1	710705307	IHQBOZJDVMJTTR-JTQLQIEISA-N	237.393	4.600	0	10	BJAE	
CC[C@@H](C[C@@H](N)c1csc(C)c1)C(C)(C)C	711101683	CVIFPIXESWWFFK-QWHCGFSZSA-N	239.428	4.519	0	10	BJAE	
CC[C@@H](C[C@H](CCC1CCC1)NC)C(C)(C)C	711187179	AKGMFXNNGLIZAQ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1cc(C)cc(C)c1	711329817	ORJHMDYAJIDGOB-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](N)CC(C)(C)C	713161876	URONACISAGGNBX-CWRNSKLLSA-N	247.426	4.580	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C(C)C)[C@H](C)CCC	713216077	KVDUPBIUZYHUEZ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C/C=C/C[C@@H](CC)c1ccc(Cl)cc1	714560114	HPVLJQMEDRLQPI-JOAKQRRISA-N	208.732	4.800	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](O)CCC(C)=C(C)C	718606155	QPQFYEHSYGIWPH-IRXDYDNUSA-N	246.394	4.678	0	10	BJAE	
COc1ccc(C)cc1CCCC(C)=C(C)C	718649795	XDOQVIMFCRQVSM-UHFFFAOYSA-N	232.367	4.683	0	10	BJAE	
CCCC[C@H](C)C(=O)CCC(C)=C(C)C	718696746	GKCIIQGJXRNLPX-ZDUSSCGKSA-N	210.361	4.518	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@H]1CCCCCC1(C)C	719223371	QSHLPSLOFOXEIV-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCCCCC1(C)C	719241132	USHZVWBJIIKBQW-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CCCC2(CC2)C1	723598777	DORFKFVQIWJROX-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](c1cccs1)N(C)CCC1=CCCCC1	1459312696	FEPNXALRLMCIQQ-ZDUSSCGKSA-N	249.423	4.631	0	10	BJAE	
CCCc1ccc([C@@H](O)C(C)(C)CCC)s1	1900662778	XPHNGNAJIKYLRD-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC=C(C)CC)NCC	1900842540	KMNWABPCAUQIHR-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC)CC=CCCNC(C)(C)C	1905364181	BBOIMIKKBBDIMZ-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
Clc1cccc2ccn([C@@H]3CC[C@@H]4C[C@@H]4C3)c12	1906477260	ABINVOCFDWNXRX-JHJVBQTASA-N	245.753	4.656	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@](C)(CCC)CNC(C)C	1910749640	WAZSHQLDTKZJOY-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H](C)C(C)(C)C	1911869791	JBJXTZBGWVRHPT-CABCVRRESA-N	237.431	4.559	0	10	BJAE	
CC=CCC1(CNC2CC2)CCC(CCC)CC1	1911908511	BCQXIDPYOVGVGZ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C=CC=CCC[C@]1(CNCCC)CC[C@@H](CC)C1	1912104940	FITZUOURYDYFHX-SJORKVTESA-N	249.442	4.705	0	10	BJAE	
CC(C)CCC1(CNC2CC2)CC2(CCCC2)C1	1912564271	DYEIENINRPMJSZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC1(CN)CC2(CCCCC2)C1	1912584786	LECJIPVAORVDHU-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
CCCC[C@H](NCCC)C1CC2(CCCC2)C1	1912614207	PLRBCVDKFOYTNH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC[C@H]1CCCC12CCC2	1921606039	QRVJFBUIQOVLMS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CCC)NCc1cscc1C	1936351425	YRRCBPBEZCXDJV-AWEZNQCLSA-N	239.428	4.505	0	10	BJAE	
Cc1cc(C(=O)[C@H](C)CCC(C)C)sc1C	1937170027	SZFBIXZUTIYPAY-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
CCCCCC[C@H](C)NC1CC(C)(CC)C1	1939092475	PAUXGQNZWBHIAO-NFOMZHRRSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2(C)CCCCC2)C1	1940397638	SCOVQCSGLPIUOL-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CC2(C)CCCCC2)C1	1940407499	JFTLCUZGGNXAMD-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)CCC1(C)CC1	1940788912	SNFRWHONSUIVJQ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC1(C)C)C(CC)CC	1940873506	RBPHASDBVHVFFX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCCC[C@H]1CC1(C)C	1940885484	ZIQQZEMHONAYQP-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCCCC(C)C)C[C@H]1CC1(C)C	1944748433	ZYEVQUBTOFVEKV-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](O)C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944835882	GGFXWBAUMZRBOH-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@H]1CCC[C@H]1C	1944849455	MKEZFVIPFVHRMZ-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1[C@H]2CCCC[C@H]12	1945052857	JWXPQOSQOJOQGE-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)[C@@H]1CCC1(C)C	1945753253	WSIVFDWBSPFMGC-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CC[C@@H]2CCCC[C@H]21	1946371770	YGOVSBAGOTUJBM-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
OC1(C2=CCCCC2)CCCCCCCCC1	1947880184	VTXDAZXPOXRRBI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CCC2)c1cccs1	1947881168	LLWVPFKBYADIEO-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)C1CC(C)(C)C1	1948155289	KLCPVIXAQNISLZ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CC[C@H](C(C)C)CC1	1948429045	OGTUITLLJKFQHY-BZUAXINKSA-N	239.447	4.760	0	10	BJAE	
NC1(CC2=CCCC2)CCCCCCCCC1	1949040032	JJJVDWXYWCXVGC-UHFFFAOYSA-N	235.415	4.709	0	10	BJAE	
Clc1cccc(NCC2[C@@H]3CCCCC[C@@H]23)c1	1968262325	IXFYFSPBOOPNQF-ZIAGYGMSSA-N	249.785	4.578	0	10	BJAE	
Cc1cc(F)cc(NCC[C@@H]2CCC[C@H](C)C2)c1	1968594926	IPWSBLKUVXEAQD-JSGCOSHPSA-N	249.373	4.762	0	10	BJAE	
CCCCC1CC(NCC2(C)CCCCC2)C1	1971297218	UZMHTSBQISTJII-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCCCC12CC2	1972722861	ASHGJBWMFCTFQK-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1CC[C@@H](C)C1	1975746928	FOCKSBPGVHQLFC-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@H](C)CC(C)(C)C	1976008250	KWHVDPVZKQINKQ-QWHCGFSZSA-N	227.436	4.602	0	10	BJAE	
CCCCCCNC1CCC(C)(CC)CC1	1981064294	XJAVYMLIUBWHCR-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
C/C=C/CCC[C@H](CCC(C)(C)C)NCC	1984640928	VZHFJWCHKRPNKK-IZPAUZPXSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cccc(Cl)c1	1986948758	RHFXMFIFQHPYAF-ZDUSSCGKSA-N	239.790	4.967	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@H]1C[C@H]1CC	1989270592	AHGWWKRELAGPSX-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CC)NC1CCC(C)CC1	1990092752	DHUNZFGCIZJDFZ-SHARSMKWSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@H](CC)CCC	1990763634	YIIBUQAPYJYPPT-HUUCEWRRSA-N	227.436	4.713	0	10	BJAE	
CC=C(CC)[C@H](NCC)C(CC)(CC)CC	1992055975	FNFRORDHPJPKMY-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
Fc1ccc(Cl)cc1C[C@@H]1C=CCCCC1	1994346608	UFBZMFIJQHFNOK-LLVKDONJSA-N	238.733	4.768	0	10	BJAE	
C[C@H](CN(CC(C)(C)C)C1CC1)CC(C)(C)C	1995795940	AQQWXEAENJMOSA-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@H](C)C1CCC(C)(C)CC1	1996553853	QLNFEPWDVJXOBB-BFHYXJOUSA-N	239.447	4.616	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H]1CCC[C@@H]1C)NCC	1996602074	BWOKUUAXEHJJDP-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NC)[C@@H]1CCC[C@@H](CC)CC1	1997113479	BHWDKPDEHZOMJL-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1CC(C(C)(C)C)C1	1998239263	HXFVVEZMKVSSFU-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)CC(C)(C)C	1999991816	SFAAALWXXUGTAW-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCC(=O)c1cccc(C(F)F)c1	2000190505	OMCNQHWJTXDBIN-UHFFFAOYSA-N	238.277	4.553	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@H]1C[C@H]1CC	2000514928	OZCCJCCHRRPLEJ-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@]1(C)CCCC1(F)F	2002577023	QLHOKPFQBCHCAK-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)[C@H]1CCC[C@@H](C)C1	2003020427	OJNDVTCKLMKVEB-KBXIAJHMSA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC1CCC2(CC1)CC2	2003200585	YQYXIZYIZOQDHX-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](CC2(C)CCCCC2)C1	2006665528	JQMKBXVRLYXATK-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CCC[C@@H]2C(C)C)CCC1	2007621769	GNQOVPCWCDNUGT-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@@H](NCC)c1cc2ccccc2s1	2007862505	PSFSYEJYMSXWGF-OAHLLOKOSA-N	245.391	4.518	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@H]2CC2(C)C)CC1	2009405262	WXBZDJMYVPZPBM-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C=C=CC[C@@H](CCCCCC(C)C)NCCC	2009751597	GUQVIDAKWRWVKF-INIZCTEOSA-N	237.431	4.692	0	10	BJAE	
CCN[C@H](CCC[C@H]1C[C@@H]1C)CC(C)(C)CC	2011581433	UTEXWHYMDULMCS-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](CCC1CC1)(CNC(C)(C)C)C(C)C	2012437126	SYFBVVVIXISGSM-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CNC)CCC1(C)C	2014858949	OAPLEXFZUXLEJC-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@H]1CCC1(C)C	2014862633	RDVWHRHLVQYBDT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)CN(C)[C@@H]1CCCC(C)(C)CC1	2015338290	IFDJVTZMUBFWLN-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CC[C@@](O)(CCC(C(C)C)C(C)C)CC1CC1	2015341203	YHGTVSVRJCZPMN-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC(C)CNC[C@H](C[C@@H](C)C(C)C)C(C)(C)C	2015398495	LTHVUECMWZYAGI-CABCVRRESA-N	241.463	4.577	0	10	BJAE	
CCCC1(C[C@@](N)(CC)C[C@H](C)CC)CCC1	2015649084	WSAAOURDKABWQJ-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@@H]1C=CCCCC1	2016114672	JMLVAECORIAGDF-HZPDHXFCSA-N	235.415	4.587	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1CCC[C@H](C)C1	2016115592	SYVOMMJLYPMNSA-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2(C(C)(C)C)CCC2)C1	2017098941	ZVGATYIUEMHLTD-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC(C)C1(C[C@](C)(N)CCC(C)(C)C)CCC1	2017141662	CZXRCGWWOCSHGK-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CC[C@H]1C[C@@H]1C	2017245818	PCSQZVSPHOSOLV-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC[C@@H](O)C2)CC1	2017713288	AGASYOQVPWLTMW-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@H](CC2(CN)CCCCCC2)CC1	2017730269	GDHAKAKKYBWDPC-SHTZXODSSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1CCC[C@@H](CN(C)CCCC(C)(C)C)C1	2019325546	LYCAKKQYAOEFSC-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](C)N(C)C1CCC(C(C)(C)C)CC1	2019405499	UBCLNPQGJYAODF-WLYUNCDWSA-N	239.447	4.712	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1C[C@@H]1C1CCC1	2022319651	BJIKERMNMBEPMA-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)[C@H](CCCCC(C)(F)F)NCC	2023297010	NAOMHVODGOEGFS-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@@H](C(C)C)C1	2025625369	BEXLZHJVCGHSRR-BZUAXINKSA-N	239.447	4.616	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H]1CCCC[C@H]1C1CC1	2027023432	GJNTWHGBUBTJQQ-DLBZAZTESA-N	249.442	4.633	0	10	BJAE	
C[C@@H](C[C@@H](C)C1CCCCC1)c1cccc(N)c1	2027952535	CTYJPBOSFXTFRV-KGLIPLIRSA-N	245.410	4.979	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C1(C)CC(C)(C)C1	2029112796	WIEIFBKRTOJNHJ-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](c1cc(C)ccc1C)[C@@H](C)CCC(C)C	2029822861	FNHLQLAAPHHWPD-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1C[C@H](C)c2ccccc21	2029967903	WYXXSYKVNSHVOG-ZQIUZPCESA-N	245.410	4.651	0	10	BJAE	
CC(C)Cc1cccc(C(=O)C(C)(C)C(C)C)c1	2032305297	GAIXMSCEKZBTOA-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CC1(CCN[C@@H]2CCCC23CCC3)CCCCC1	2033210200	IXLDNNRHVQMIBE-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H]2CCC(C)(C)C2)cc1	2033398871	BXXXNIXMLIEOIN-HOTGVXAUSA-N	246.394	4.670	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]3C2)cc1	2034572187	OHWZZYMLCQSBER-MKVSYHDVSA-N	243.394	4.801	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)CCCC3(F)F	2035243017	NEMKTJOEIFRKRH-UHFFFAOYSA-N	249.304	4.719	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)c1cc(C)oc1C	2035404266	OZPXJKJQCPKKCK-XPKDYRNWSA-N	249.398	4.516	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1	2036659564	CSVDMSBIOPFSMF-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@H]1C[C@H]2C=C[C@H]1CC2	2037165746	HWLUUGAQIDWSGP-CAOSSQGBSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](CC1CC(C)(C)C1)C1=CCCCCCC1	2037973825	DHLJFJIJNIXZPM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2CC1CC2(CCC2)C1	2038091001	XRXCYXGKPCSYGJ-CQSZACIVSA-N	241.378	4.556	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@H]2CC[C@H]1C2)CC1CCCCC1	2038168116	TWLRZNKIXZZEQP-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1CCCCC1)[C@@H]1CC12CCCCC2	2038999282	JNTJNFQROLDNFG-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2C=CCCCC2)CC1	2039033298	UWJRXCLQHSXPPD-IXDOHACOSA-N	249.442	4.824	0	10	BJAE	
CCc1cccc(C(=O)[C@H]2CCC[C@H](C)CC2)c1	2039372704	FPDBJSHXINJJJX-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
CCC(CC)CC(=O)C1CC2(C1)CC1(CCC1)C2	2039424083	KQJVIEDIZKYAOM-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc(C2(C)CC2)cc1	2040715777	CYRYJGFTTMGGIM-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
C[C@H]1CNCCC(=C2CCC(C(C)(C)C)CC2)C1	2041548539	HFWSKMIROIDVND-JBZHPUCOSA-N	249.442	4.539	0	10	BJAE	
CCCc1ccc(C(=O)[C@@]2(C)CC=CCC2)cc1	2042098888	MYNJGLKZLZYRNK-KRWDZBQOSA-N	242.362	4.568	0	10	BJAE	
CC1(C)CCC[C@H](c2cccc3c2NCCC3)C1	2045504206	JWLLRYVGUXAETP-AWEZNQCLSA-N	243.394	4.729	0	10	BJAE	
Cc1cc(C)cc([C@H](N)[C@@H]2CCCC(C)(C)C2)c1	2045506500	QNZFTHUMGPRBOR-GDBMZVCRSA-N	245.410	4.520	0	10	BJAE	
C[C@H](CC[C@@H]1CCc2ccccc2N1)C1CCC1	2045879133	GLNOPFALQCURGB-CZUORRHYSA-N	243.394	4.630	0	10	BJAE	
CC(C)(C)c1ccc(NCC2(CF)CCC2)cc1	2046891223	JKIAGPOBQRKMIQ-UHFFFAOYSA-N	249.373	4.536	0	10	BJAE	
N[C@H](CC[C@@H]1CC12CCCC2)CC1CCCCC1	2047011600	LFRUZPFKYSJLKF-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1CCC([C@H](N)C[C@@H]2CC23CCCCC3)CC1	2047016744	QSZVBFJWFXJLAT-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CC23CCCC3)CCCCCC1	2047016851	RKGBEPWOUYIATB-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC1(CNCC2(C)CC=CC2)CCCC1	2047716928	ZWJQWPXDHCCTQL-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@H]2CCC23CCC3)C1	2047940997	ZDQVFKACYRQQTH-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1[C@H]2CCCCC[C@H]12	2048371314	ZNFICSRVMVRFLJ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2048414887	BPQXEWULXRDIDO-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC2(CC2)C1)C1(CC)CCC1	2049858792	PPWGHLFQFKTLBC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NC[C@]2(C)C=CCC2)CC1	2049980004	UXLQSOMSAZBOGO-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@]1(C)C=CCCC1	2049999043	YUIFTDZSUODVFU-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CCC1)[C@@]1(C)C=CCCC1	2050000185	KOYVFWQXINYQFB-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1C[C@@H]2CCCC[C@H]21	2051397684	AQBPDKBJVKSAIM-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C[C@@]2(CN)CCCCC23CCC3)C1	2053407298	MYBAIQWEONXVNC-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
CC1=C(C)[C@@](O)(C[C@@H]2CCC=CCCC2)CCC1	2055606765	FTHZEFNWLCGYQU-SJORKVTESA-N	248.410	4.764	0	10	BJAE	
CC1(CC(=O)CC2CC(C3CCC3)C2)CCCC1	2056666702	UXUZEGMLFMTEMB-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
N[C@]1(C=C2CCCC2)CCCCC12CCCCC2	2056918869	DKTCYCZDWPZARF-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@](C)(N)CCC2CC2)CC1	2061113605	PVRQDRIPLGJOGP-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CCC1CC1)CC[C@]12CCC[C@H]1C2	2061570728	FNKMOAKJTKXORI-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC[C@]12CCC[C@H]1C2)C1CCCC1	2061574868	MEABNRDSYNNXJI-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC2CC(=C3CCC3)C2)C1	2061681572	AMFYDXFJHASQAB-DYVFJYSZSA-N	248.410	4.598	0	10	BJAE	
C1CCC(CCN[C@@H]2CCCCCC23CC3)CC1	2062016034	CWZHGMNOAKMHQZ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCc1ccc([C@@H](C)NC[C@@H](C)CCC)cc1	2066315310	YIBVCPPFACWWQC-LSDHHAIUSA-N	247.426	4.726	0	10	BJAE	
CCCCC(C)(C)NCc1ccccc1CCC	2066393755	ZBBHTHLZBYFAIZ-UHFFFAOYSA-N	247.426	4.698	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068768271	ICIWPIDTFGEJRB-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)CCC1	2069267366	AAKAZIFWYZIHBE-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC1([C@@H](N)CC2CCC3(CC2)CC3)CC1	2069521496	LWMHHUWAGMHLQK-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1([C@@H](N)CC2CCC=CCC2)CCC1	2071928390	LQGISUXTNKBXHB-HNNXBMFYSA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@]23CCC[C@H]2C3)CC1	2072794018	PNTMAHJZZVBKDA-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@H](NC)[C@]2(C)C=CCC2)CC1	2072807747	ZFRZSGVDAGLXQJ-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CC[C@@H]3CCC[C@@H]3N2)CC1	2072813989	XZYNFXYXRAPVOP-WOYTXXSLSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cc(OC)ccc1C	2073347680	SWXYMJKUUKRSDS-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CCc1ccc(CN(C)[C@H](C)CC(C)(C)C)cc1	2074918623	JMSHISCSXNXNTM-CQSZACIVSA-N	247.426	4.506	0	10	BJAE	
CC(C)CCCCCN1Cc2ccccc2[C@H]1C	2075154615	SUBYENKJLVKPTF-OAHLLOKOSA-N	245.410	4.780	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@]12CCCC[C@@H]1CCC2	2077185796	VOTXNOJXRGZMJL-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C[C@@H]2C2CCC2)CC1	2079419966	LAVIMOGHIFXXTM-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@@H]1C[C@@H]1C(C)C	2079561596	HWEJPSSRTDBUND-IAOVAPTHSA-N	246.394	4.526	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC1[C@@H]2CCCCC[C@@H]12	2081787358	VBKNQFWXRNGEOZ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCC2(CC1)CC2)[C@H]1CC[C@@H](N)CC1	2082137402	SYXQQRADKRCQMQ-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)c1cccc(C(C)(C)C)c1	2083542944	CHACCUWECDZSKC-QGZVFWFLSA-N	248.410	4.628	0	10	BJAE	
C[C@H]1CCCC(=O)[C@@H]1CC1CC2(C1)CC(C)(C)C2	2083794143	AODVWMVDBPXBRE-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
c1cc(C2CC2)cc([C@H]2CCNc3ccccc32)c1	2088950181	JQAMACUEIXHLGO-MRXNPFEDSA-N	249.357	4.512	0	10	BJAE	
F[C@H]1CC[C@H](CCC=Cc2ccccc2)C1	2210661943	HMKWDYBPAXOZGN-GJZGRUSLSA-N	218.315	4.618	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CC=Cc1ccccc1	2210662696	SCZJFXZCEKEIJK-GDBMZVCRSA-N	214.352	4.916	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H]2CC[C@H]2C)CC1	2215090458	WJWOKJHSBZBWBE-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C1(C)CCCCCCC1	2215323659	FXHZOMVVCYZIHF-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC[C@@]1(CC2(C)CC(C)(C)C2)CCCCCN1	2215397719	FXESJAZXQDNIFH-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C(=O)CC2(C)CC3(CCC3)C2)s1	2215430682	FYRJUARPPUTOQN-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCC[C@H](N)CC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216764067	QONRHDRNOPQCBX-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)NCCCCCCCC1CC1	2216884172	SGWNLHWPIRQBBX-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)[C@@H](O)CCCCCCCC1CC1	2216903410	YSCJZGWICDRNGO-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCCCC1(CN[C@@H](C)CC)CCCCCC1	2217135859	HJHZYWOUESSFCB-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H](C)NC[C@@H](C)CCC(C(C)C)C(C)C	2217147469	JTNBBCAIIJGBQG-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@@H](CC)CC1(CN[C@H](C)CC)CC1	2217150316	MTDMESMJBOMZHQ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@H]1CCC12CCC2	2218731191	JAUIJVSZGYOGMY-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)c1occc1C	2220026990	DQYIGAFODHRFCI-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
Fc1cccc2ccn(CCC3=CCCCC3)c12	2220308335	YGNHKRNNJOMITN-UHFFFAOYSA-N	243.325	4.671	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(N)CC1(C)CC2(CCC2)C1	2221029396	ZPTMGUOBLZRYIP-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC2(CCC2)C1	2221074844	AEVHBDBCRDPKMP-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@H](NC2CCC(C(C)(C)C)CC2)CC1	2221660991	KWWJDQDRVKITNP-PCKAHOCUSA-N	249.442	4.680	0	10	BJAE	
CC(C)=CCCNC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222930932	RXPWUHWFIOWFMB-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@@](C)(N)C2CCCC2)C1	2246681028	UFOVIWFEHSUGEF-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@](C)(O)C2(C)CCC2)C1	2246684913	RLCFWKDRBZOPTL-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC[C@H]1CCC[C@H](C)C1	2246726448	LQRCRXXHPCFDNE-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CCCC[C@H]1C[C@@H]1C)CCCC(C)C	2247148786	KPGPZSJAUZIEBM-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@H](C)C(C)(C)C)NCC	2250359015	PTCQDBNUHOMRGY-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@H](C)C1CCCCC1	2250378756	PZDMETSLLYLUHC-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@@]1(C)C[C@H]1C	2250482452	UDNWNTLBFGHHSN-LZWOXQAQSA-N	238.415	4.844	0	10	BJAE	
CN[C@@H]1CC[C@H](CC[C@@H](C)CCCC(C)C)C1	2250485601	MXTNOGCXDSOJTG-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@H](C)C1)c1cccc(N)c1	2253999689	YHKWGWCLRDBQCX-ZFWWWQNUSA-N	243.394	4.889	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)CC1CC2(CCCC2)C1	2254057190	AJUNBIKNUICPIO-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
C[C@H](CC1CCCC1)NCC1CC2(CCCC2)C1	2254084662	RTOXIQKHPBSIAK-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)[C@H]1CCCCC1(C)C	2255062473	IAKHBBQCNCYDNQ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](CC[C@H]2CCCC23CC3)N1	2255339529	WHKHMVWVXBNNDC-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccc(CC(C)C)cc1	2259473618	UTOSUBNGSSLVMV-NVXWUHKLSA-N	247.426	4.711	0	10	BJAE	
CC(C)(C)C1CC(C(=O)[C@@]23CCCC[C@@H]2CC3)C1	2260515861	JMZLEWNMVLGDOT-NHMAURGWSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(NC[C@]23CCCC[C@@H]2CC3)c1	2260622576	MMUMUDXTYIBSDB-NVXWUHKLSA-N	243.394	4.686	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@@]12CCC[C@@H]1CC2	2260675347	XRJNQORDDYSKPW-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(c1cccc(C2CCCC2)c1)C(C)C	2260717599	YRVHGVLJAFGEQP-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CCC[C@H](CN)C2)C1	2261304339	JEPAOKQNDWWGRQ-FHERZECASA-N	249.442	4.524	0	10	BJAE	
CCC(CC)CCC1(O)CCC(C(C)C)CC1	2300691582	VWLHNQHXSOURSB-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@@H]1CC1(C)C	2300881701	QQUZYGOTGQZEEO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)[C@@H](C)CC	2302355875	GZEMIZBJTXEJNG-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CCCC1=CCCCC1	2302358981	LZHJGEOGIIWVSB-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)C1CCCCC1	2302361033	HVYBIEMPRYYQSH-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)(CC[C@@H](O)CCCCC1CC1)C1CC1	2302580948	WYWVFHWTMFXSAR-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CC(O)(C[C@@H]2CCC(C)(C)C2)C1	2302710088	NIDRJXJGEQKROG-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@H]1CC[C@H]1C(C)(C)C	2303406252	ZUSSBPFNMSTUGN-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(CN[C@@H](C)CC)CCC(C)=C(C)C1	2303468235	LZQXELJPILZSLF-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@H]1CC[C@@H]1C(C)(C)C	2303490760	SWQSECMNHBZBTG-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303504741	YUNHVSQOEOOXPG-ZENOOKHLSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H](C)c2cccs2)CC1	2303593718	ZXJWKAMWDCBSMF-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(CCC)CNC1CC1	2307749478	KVANTNJNOFMWFP-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CCC)CCCCCN1	2307819427	LMIHWZUGDBHOIA-JKSUJKDBSA-N	239.447	4.905	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CC[C@@H]2CCCC[C@H]21	2307840010	CPVITEUETYTQGG-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1cc(C)ccc1C	2307909202	SLBIBXZIUXEPHH-ZBFHGGJFSA-N	233.399	4.520	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cc(F)ccc1C	2307923943	MLLUUAGUXVLOMN-GFCCVEGCSA-N	236.330	4.533	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)CCC[C@H]1C[C@H]1C	2310440900	AQTANCQDRRSCIH-PNBKFKSVSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)C[C@@H]1C[C@H]1C	2310970495	XJJPMUCQSLJNTL-PVAVHDDUSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2311021115	KLJHULWVTZITMJ-ABPIDSFRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](NC[C@@]12CCCC[C@@H]1C2)C1(C)CCCCC1	2311126407	DPHZZOJQAPZLCK-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313182392	FYEIATGONDVVPG-NNXHMXCWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC[C@@]23CCCC[C@@H]2CC3)CC1	2313313597	DFQFUCHGDQVNPY-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CCc1cc([C@](O)(CC)C[C@@H](C)CC)ccc1C	2314640972	BWDOXNIEZFEZKR-GUYCJALGSA-N	248.410	4.591	0	10	BJAE	
CC1(CC(N)(CC2CC2)CC2CC2)CCCCC1	2315441076	BUOXTYJSOBVWMT-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1C[C@@H]2CC[C@H]1C2	2315881956	YYYAFYCXWNIUMD-KMFMINBZSA-N	243.394	4.719	0	10	BJAE	
CC(=CCC1(CNC2CC2)CC1)CCCC(C)C	2316497953	XOSNSQVRDJZCCZ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@H](NC)C1C[C@H]2CCC[C@H](C1)C2	2316502132	JMCFBXHMRWXLDJ-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC(=CCC(=O)C1[C@H]2CCC[C@H]12)CCCC(C)C	2316560817	UETJMBXMAZOUEP-GJZGRUSLSA-N	248.410	4.764	0	10	BJAE	
CN[C@H](CCCCC1CC1)CC1CCC=CCC1	2318877490	NANYFDXMXQMYBQ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)C[C@H](N)Cc1cccc(C(C)C)c1	2320630513	HYZANBDZLUFBMU-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
CCc1cc(F)cc(NCCC2=CCCCC2)c1	2321075314	XRPTXFPBUQDZNR-UHFFFAOYSA-N	247.357	4.691	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)CCc1ccccc1	2328267606	CCZCUQGSORGPDX-WBVHZDCISA-N	247.426	4.553	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)c1cccc(C)c1C	2328283262	VYVYMMVKWRNUFZ-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cccc(F)c1	20520059	LJKXLHSALLZQNF-GFCCVEGCSA-N	223.335	4.597	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccccc2F)c(C)c1	21798648	VSYJFXTZXZLUSQ-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
Cc1cccc(C)c1NCCCC(C)(C)C	33802088	LBVIUWLKYTXTPP-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CCCCCNc1ccc(OC2CCCC2)cc1	37015759	GIEWHDQYILEOAD-UHFFFAOYSA-N	247.382	4.610	0	10	BJAE	
CCc1ccc(CNc2c(C)cccc2C)s1	51753716	UTXMEBSGRNHIJR-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCc1cccc2oc3ccccc3c12	59354476	BUKJVDSGLXRAGM-UHFFFAOYSA-N	210.276	4.539	0	10	BJAE	
Cc1cccc(OCc2ccc(Cl)cc2)c1C	66032899	QOODWEFRMCIMLI-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@H]2CC[C@@H](C)C2)cc1	80451933	SEYNTMWUGLFFLZ-KEYYUXOJSA-N	245.410	4.649	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CC[C@H](C)C[C@H]1C	85086745	UMMRRBVWWLPXOM-XUWVNRHRSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cccc(C)c2)CC1	86893315	GMVWOYOWBYLJBL-HUUCEWRRSA-N	231.383	4.766	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1cscc1C	87288404	PVKCAZBUUGCMCJ-GXTWGEPZSA-N	239.428	4.663	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1C)C1(C)CCCC1	94900306	YBNZMVVNFUBOJZ-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCCC[C@H]1C[C@H](CCC)CC[C@@H]1NCC	109664803	DMPMEIPEKLMOEY-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)C1CCCCC1	109726768	CLAJYSINPJQONM-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](O)c1cc2cccc(C)c2o1	124177661	ZAJRYHZOYKAOIB-CQSZACIVSA-N	246.350	4.745	0	10	BJAE	
CC1(C)CC(Nc2ccccc2F)CC(C)(C)C1	124727860	SRVMVSQLUCODJI-UHFFFAOYSA-N	249.373	4.843	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)C1(C)CCCC1	125254596	JBNMNGGYHNXECM-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cccc(N(C)C)c1	135434308	YHPFWDNXGLSHIU-CQSZACIVSA-N	248.414	4.523	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@@H](CC)c1ccccc1	162368958	NRNRSXRWNDVWLX-HYVNUMGLSA-N	247.426	4.595	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2CCCCCC2)C1	166243116	XEZNGVSXAXTKJW-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@@H](CC)[C@@H]1C)c1ccccc1	225203706	HGNNPRXAFBVHKY-FSDCSDTHSA-N	245.410	4.552	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(C2CCCCCC2)C1	231012129	STIHKAOMQYTUQJ-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](C)NCC(C)(C)C(C)C	232937798	HCQDMSGNCQMAJS-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CN[C@@H](c1ccc(C)cc1C)C1(C)CCCCC1	234419190	VKJRCYOJCSDSLJ-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1Nc1ccccc1Cl	252199487	SZDXEYCHMLSAIG-YABSGUDNSA-N	237.774	4.577	0	10	BJAE	
CC1(C)CCC[C@H](c2ccc(C(C)(C)O)cc2)C1	258367121	PPYPCVWOQHWFOH-AWEZNQCLSA-N	246.394	4.598	0	10	BJAE	
CCC[C@H](C)[C@H](O)[C@H](c1ccccc1)[C@@H](C)CC	300465254	LSAMKZNYMKTEFP-OTRWWLKZSA-N	248.410	4.613	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)c1ccsc1C	300865688	CZGUHQPYHSHPLL-RISCZKNCSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CCC1CCCCC1	300917894	KUXVGNQXQMJOJN-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
Fc1cc2scc(C(F)F)c2cc1Cl	306940460	PKLJQDXZTWYPHD-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCOc1sc2c(Cl)cccc2c1Cl	307314743	WCVKHJGVIRKJHG-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](O)C2(C)CCCCC2)C1	310473574	CBGDDNQGTRDWET-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCNCC1(C[C@H](C)CC)CCC(C)CC1	317205007	QNOMIUDWZGOKPE-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@]1(CNC(C)(C)C)[C@H]1C=CCCC1	318124506	MKDXNRUEQMASTC-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C(C)(C)C2CCC2)C1	322979247	OWACQSIEFLEWER-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CCC2(C)C)cc1	379876655	SLDWQSRGEMDHKU-WFASDCNBSA-N	231.383	4.801	0	10	BJAE	
CC[C@H](C)C[C@H](C[C@H](C)C1CCCCC1)NC	380036916	QRNUTRDHAJSZBP-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCCCC[C@@H]2N)CC1	380105696	YKAUPBOTBBXLNF-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)c1ccc(C)cc1	383133606	DIZDTIULMQLESI-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CC1(CC(=O)[C@H]2CCCCC2(C)C)CCCC1	383833048	YCUCVTQUFVOLKN-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)[C@H]1CC[C@H](CC)CC1	393293624	SMUWEJNKERYWGF-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@H]1CC[C@H]1CCCCCC(C)C	394811395	KQHNVVYMSUFAOJ-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccsc2Cl)[C@@H]1C	395629369	BIIKIENQILXDLW-OPRDCNLKSA-N	243.803	4.638	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@H](CC2=CCCC2)C1	401169116	NACURSZWQQPPLU-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)C[C@@H]1CC[C@@H]2C[C@@H]2C1	403370186	MKWSPKGVNDXBAJ-QNYIPHQMSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1coc2ccccc12	404297673	ONZDFKFEOSQYLD-BLLLJJGKSA-N	245.366	4.649	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccc3c(c2)CCCC3)C1	404644560	NGNFQTXJRQPMAJ-CZUORRHYSA-N	243.394	4.556	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)c1cc(C)oc1C	405735986	AOXODIOKGCPXDQ-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1C[C@@H](C)CC(C)(C)C1	686307390	YKILFVXTYSKIQR-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@@H](C)C1CCC1	692681553	WMEHHPQUNZPPRA-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@]12CCCC[C@H]1C2	693183338	NYYLTUHTINDQSY-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1CCC2(CC1)CC2	696647956	WUGHDUIUEFTZBP-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@]1(CNC(C)C)CC[C@H](C)C1	698054464	OOLQCQAESVXUER-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC[C@@](C)(C(=O)CC2(C)CCC2)C1(C)C	699084375	JMPRMPIUMDVFFJ-LRDDRELGSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)C(C)(CC)CC	701257087	KNWQFHKYCUFOFS-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1CCCCC1(C)C	701379282	YRSVBMFEFOMXFI-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCNC[C@]1(CCC(C)(C)CC)CC1(C)C	705383117	OIAUOTKYQXMELP-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CNC1CC1)C[C@@H](C)CC(C)(C)C	709106703	OSIPOCSILBSZGT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H]1CCCC1(C)C)CC(C)(C)C	709123827	FHSRNUORYDNAGW-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CC(C)(CCC(=O)C12CCC(CC1)CC2)C1CC1	710157865	HBNAKSZTWRXAMQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](Nc1csc(C)c1)c1ccsc1	710711756	UYNFPBHEJBAZAB-LBPRGKRZSA-N	237.393	4.681	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(O)CC1(C)CCCC1	713030853	LIDNPEPSSAZKDV-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@](C)(CC)CNC(C)(C)C	713246212	VTAMZGJFMGTDKD-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC1(CC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CCC1	714428151	BQELPOQNIMCVTJ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCC(C)(C)CC1=O	717462578	IHNUABGOBRMVMH-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CCC2CCCCC2)[C@H](N)C1	717465229	ARTOSDIJUDPZMF-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C1(C)CCCC1	718564955	KFQZXEGKUZZAHN-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)C(C)(CC)CC	721685231	UQADIVLQFBRQLI-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C2CCCC2)C2CC2)C1	723960020	MFJKGQAFSKVYEO-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@H](N)[C@]12CCCC[C@@H]1C2)C1CCCCC1	822063528	MQKMHVAEXMERML-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1COc1ccc(Cl)cc1	1613673611	DINYHORSHUFVAD-RYUDHWBXSA-N	238.758	4.545	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)CCC=C(C)C	1659254875	UVMIJRDZKOPRDN-CABCVRRESA-N	225.420	4.680	0	10	BJAE	
CC(C)C[C@@H](C)N(Cc1ccccc1)CC(C)C	1880409299	LJAKCVXJOYFYLE-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
Cc1ccc(F)c(CC2=CCCCC2)c1Cl	1899529806	RVBYNNZULOOXQE-UHFFFAOYSA-N	238.733	4.830	0	10	BJAE	
CCC(CC)CC[C@H](N)C(C)(C)C(C)(C)C	1900690431	GRXGIQJBGKFMME-ZDUSSCGKSA-N	227.436	4.602	0	10	BJAE	
CCC(CC)CC[C@](C)(O)[C@H](C)CC(C)C	1900697040	NHMWOLIBGBMTOP-HIFRSBDPSA-N	228.420	4.636	0	10	BJAE	
CCC(CC)CC[C@](C)(CC)CNC(C)C	1900713261	OVQACLSEVBZAQZ-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)c1ccc([C@@H](C)NC)c(Cl)c1	1901891861	ILIZGHBUUFQCNT-SNVBAGLBSA-N	239.790	4.524	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)CCC1CCCC1	1910809273	JJAUNRYNXNOIPO-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@H](CCC=Cc1ccccc1)NC	1911989234	UEFQFZKBGXHTQV-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
C[C@H](CC=CCCNC(C)(C)C)c1ccccc1	1911991631	FOYVFCHWFSOHPS-OAHLLOKOSA-N	245.410	4.515	0	10	BJAE	
CCC=C[C@H](C)Cc1c(F)cccc1Cl	1912037831	KNZXTPDDNPHNAR-JTQLQIEISA-N	226.722	4.624	0	10	BJAE	
C(CCN[C@@H]1CCC2(CCCC2)C1)CCC1CC1	1916497764	VZFOZLKITAVRHY-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@](O)(CC)[C@@H]1CCC[C@@H](CC)C1	1919523684	LOOQUZWVAVMZSF-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)c1ccccc1C1CC1	1919978682	ZSOYEPBKQZHVKU-SUMWQHHRSA-N	246.394	4.598	0	10	BJAE	
Cc1ccc([C@@](C)(N)C[C@H](C)C(C)(C)C)c(C)c1	1920489476	LYKLDCPJEQHVNL-YOEHRIQHSA-N	247.426	4.550	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C1CC2(CCCC2)C1	1925737136	MLCTYACZHRMHFI-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
CC(C)(C)NC[C@@H]1CC[C@H]1C[C@H]1C=CCCCC1	1925889336	ARUDSBSTJWXAFC-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc([C@H](O)CC(CC)CC)s1	1926393334	NDKKJUBTSVKCEW-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
CC(C)C(C(C)C)[C@H](C)N[C@@H](C)CC(C)(C)C	1940252160	IBOAPGYOLSKBFB-KBPBESRZSA-N	241.463	4.717	0	10	BJAE	
CCCSC[C@@H](C)Nc1ccc(C2CC2)cc1	1941170384	YNMMRRKASBBZSW-GFCCVEGCSA-N	249.423	4.508	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1cccc(C(C)C)c1	1941247506	FCNIAARXDUUDCI-JKSUJKDBSA-N	234.383	4.526	0	10	BJAE	
CCCc1csc(-c2ccc(C3CC3)cc2)n1	1941962145	QZAAUBBFOHOOGF-UHFFFAOYSA-N	243.375	4.640	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C2(C)CC(C)(C)C2)C1	1941987790	MOXPROUYQAFJBN-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@H](CNC(C)(C)C)C1CC1	1942091599	UJLYAZSNLNODSI-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1(O)CCC2(CCC2)CC1)C(C)(C)C	1944602902	WSKPCYDQHRZFQA-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)C(C)(C)C(C)C	1944668180	KWOPQGMPCUVRTB-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@@H](C)N[C@@H]1CCCC2(CCCC2)C1	1946454335	FSORYDJFMUZVSR-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)NC1CCC(C)(C)CC1	1948328171	SRSNLFZDZSFJHC-KGLIPLIRSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1C=CCCC1)NCCC	1948434014	BJNQQRKTQCKYGQ-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC[C@@H]1C=CCCC1)NCCC	1948434016	BJNQQRKTQCKYGQ-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@H](N)c1cccc(C(C)C)c1	1949016556	LTWBRFPKFGMMQE-INIZCTEOSA-N	233.399	4.636	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1CC2CCC1CC2	1949017159	XQWSHMLLJYRMBW-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@](C)(N)[C@H]1CCC2(CCCC2)C1	1949402598	LNXJEXIXLQLJRM-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@H]1CCC2(CCCC2)C1	1949496383	DKHWSMPJRMDQGW-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCNC[C@]1(CCC)CCCC(C)(C)CC1	1950919462	PBHQELAISIXHIH-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)[C@H]1CCC[C@H](C)CC1	1950929935	LGOPPHWYPPVFNU-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C)CN1CC=CCC12CCCCC2	1966511079	FDMIGGWSDBWIKP-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
Cc1ccc(N[C@H]2[C@@H](C)[C@@H](C)CC[C@H]2C)cc1F	1968319845	DAABYKLISPDSSA-YPHNTLSLSA-N	249.373	4.617	0	10	BJAE	
CCCC(CCC)CN[C@H](CC)c1ccccc1	1968550139	VLZSZRMJKVNQFT-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)c1	1968597378	ZDFUHWNCQDWJDE-BRXULGCHSA-N	249.373	4.617	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1ccc2c(c1)CCCC2	1968911419	GITBTZMRGUMPPG-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
CC1(C)CC2(CC(NCC3(C)CCCCC3)C2)C1	1971297257	VJEBFBZAYYRVKZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)c1cc(C)cc(C)c1	1973167748	BXPNXJFTSLHGEG-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCCC1CC2(CCC2)C1	1973745463	WEPVZLWYJFAGSG-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C(=O)CC[C@@H]1CCCCCC(C)C	1984370797	XIQKSQWGMCIUJD-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](C)CCC=C(C)C	1988793586	AHSMMBAUMYZKHJ-UONOGXRCSA-N	225.420	4.536	0	10	BJAE	
CCCCCC(=O)c1c(C)ccc(Cl)c1F	1993689610	VOULEZWBUIVEDD-UHFFFAOYSA-N	242.721	4.551	0	10	BJAE	
CC(C)(C)CCC[C@H]1CC(C)(C)CCC1=O	1994033482	ISQYKKVCQKCNOG-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1cccc2sccc12	1996613275	PQDSTNWTZOWVFB-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
CC(C)CC[C@H](C)NC[C@@H]1CCC[C@@H](C)CC1	1997118673	ZFKYGILOLSDZEG-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC1(CC(=O)[C@]2(C)CC=CCC2)CCCCC1	1997607779	WVKYSWZVTZNWDF-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C1(C)CCCCCC1	2000319282	HXZBLUPPBSPGJA-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@H]1CC12CCCC2	2001265072	JNUVTXBSIREHTP-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CCCC2(C)CC2)C1	2002993568	LXCGOICKKNFSQI-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](C)N[C@H](C)[C@H]1CCCC(C)(C)C1	2003005907	LTZVSSHEXFMMLM-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CCC[C@H](N(C)C2CCCCCCC2)C1	2003167862	POMMRFJRWYMKQG-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C1CCCCCCC1	2009544435	PNDNOBBHTNERTP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCC[C@H](CC)CC1	2009570616	AWVYVUWZRJRGQD-ACYLFWIKSA-N	236.399	4.908	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CCC2(C)CC2)CC1	2009610953	UJTLHAIRNQGIRS-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC1CC(Nc2ccccc2SCC)C1	2009720210	RCPQLPUTSWJALV-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CC[C@H](CCC(C)C)NCCC[C@@H]1CC1(C)C	2013271348	RFVAWBUIZYRMCX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)C1(C)CCCC1	2014338730	JIGXMUVZJICYRJ-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CC(C)CCC[C@@]1(CNC(C)C)CCC1(C)C	2014854463	PCXQSSJOOKILFY-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1cc(C)c(C)o1	2015326658	OJEZWAJPGNVTNT-ZDUSSCGKSA-N	236.355	4.686	0	10	BJAE	
CC(C)C(CC[C@@]1(N)CCC[C@@H](C)C1)C(C)C	2015348437	WEVWUKVWRIYRFS-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCC(C(C)C)C(C)C)[C@@H](C)CC	2015359173	VQBWKDGXKYEVQG-HOCLYGCPSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CC(=O)CC[C@H]2CC2(C)C)CCC1	2015588851	JVJFUYLDLUJNLZ-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@]1(C)C[C@H]1C	2016453998	CGKDTFHECAUSQM-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(C(C)=C(C)C)C1CCC(C)(C)CC1	2017476963	CQBIOXFLRAZJDQ-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(O)CC(C)(C)C)CC1	2017653704	WPUGXQONFILRAT-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(C[C@H](N)C[C@H](C)CC)CC1	2017728611	NLXOTQIYOKEBMV-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@H]2CC[C@H](C)CC2)C1	2017776008	JVLGOKGSBGTYHP-JOCQHMNTSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@]2(C)C[C@@H]2C)CC1	2017777631	HGHFBOIHADNGLT-RZLSGREXSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(NC[C@]23CCCC[C@H]2C3)cc1Cl	2018587875	PGHCRIUMWIOOCB-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCC[C@@H](C)CC2)CC1	2018997401	YAZJXFFQKKUDQH-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)[C@@H]1C=CCCCC1	2019506250	UJFCROWVMJKTIN-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCCN(CC1(CC)CCC1)C1CCCC1	2020535474	HQLMSGMHVPSSKF-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
c1sc(C2(CC3CC3)CCC2)nc1C1CCC1	2026538597	SACONVYWBWPBOI-UHFFFAOYSA-N	247.407	4.632	0	10	BJAE	
CC1(Cn2ccc3cc(F)ccc32)CCCCC1	2027275167	IIVYHMFFOFJHLE-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
Cc1cccc(C(=O)CCC[C@@H]2CC2(C)C)c1C	2027844020	VVUVWBSNFNYBON-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
CCCc1ccccc1C(=O)CC(C)(C)C(C)C	2027904392	XMBSNBZBALRUGN-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1ccc(C2CC2)cc1	2028590347	IXKLLLAOCFIHFO-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1CC2CCC1CC2	2028633815	LUKPIOUYSFHYPZ-BHUNQDJPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@H]1NCC1(C2CCCC2)CC1	2029738974	YMOJTRHEUMXZNH-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCC1CCC1)[C@@]12CCCC[C@H]1CCC2	2031854954	JIGYSTDOVMZGEU-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@H]2CC[C@H](F)C2)c2ccccc2N1	2032949092	RABXKCCACANSEF-RQJABVFESA-N	247.357	4.503	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@]1(CNC(C)(C)C)CCC=CCCC1	2033634707	WCIANSCYPALDEU-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)C(C)(C)C1CCC1	2035577188	WXPZBOOLYSKYHM-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC([C@@H](C[C@@H]2C=CCCC2)NC)CC1	2035600788	MYTZLVSABQFKNF-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCCCC23CCC3)C1	2035926606	QSXVGRPGNFZXGA-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](N)(C2=CCCCCC2)C1	2037094983	XDIHESRQLMBANO-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
NC1([C@H]2CCC3(CCCC3)C2)CCCCCCC1	2037590981	BYKGPCRQBCEQKE-HNNXBMFYSA-N	249.442	4.789	0	10	BJAE	
C(CCNCCC1CC2(CCC2)C1)CCC1CC1	2038101885	VNEJPIUOBJKADL-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@@]23CCCC[C@H]2CCC3)C1	2040147706	YNFLPWKFXDBSIW-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CC[C@@H](C)C2)C=CCCC1	2040182028	NCIKYXDWQQWOJR-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCNC[C@]1([C@@H]2CCCC[C@@H]2CC)CC=CCC1	2042086947	LRFXDJSJGJLGIA-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CCC=CCCC2)c1	2045312927	SIEUGRYQVAHGDZ-HNNXBMFYSA-N	242.362	4.704	0	10	BJAE	
CCN[C@H]([C@H]1CC=CCC1)[C@@H]1CCCC(C)(C)C1	2045391733	PCBAUXLKCNZGJP-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@@H]1CC(C)=C[C@@H](C)C1	2045693504	AYDABODPRLLDBA-XOKHGSTOSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H]2CC[C@H]3C[C@@H]3C2)cc1	2047349733	OHMDXJBSFSNTSO-MKVSYHDVSA-N	244.378	4.768	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2[C@H]3CCCCC[C@H]32)C(=O)C1	2048470440	PWKSHZGWMAFPMA-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1C1(N)CCCCCCCC1	2049677587	DWTXUAFPLLVHCU-UHFFFAOYSA-N	245.410	4.537	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)CC1(C)CCCC1	2049787760	CCSNDDAKBDERKZ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)CC1CCC2(CC1)CC2	2049851930	AWNZFJNHRFQFGB-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@]1(C)C=CCCC1	2050009046	LANSEPDVNLNHKR-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCN[C@@H](CCCC=C(C)C)c1ccccc1C	2050460331	HTYSQXLJXJVJMB-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CN[C@H](CCCC1CC1)C1=CC[C@@H](C(C)C)CC1	2061149899	GZXDSSHBXUKBLO-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1NCC[C@@]12CCC[C@@H]1C2	2061571504	KYHCQHQJAHICMO-RHSMWYFYSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CCC[C@@](O)(CC2CC(=C3CC3)C2)CC1	2061692157	XQAOJIMCSDKFHY-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C12CCCC1CCC2	2063821713	KILNTXMDDROHEQ-LWUFZGFSSA-N	249.442	4.681	0	10	BJAE	
CCCC(CCC)CNC1CC2(C1)CC21CCC1	2064120612	OYHRPVDMAFCTSN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CCC2)C1)[C@@H]1CCC1(C)C	2068338486	ZDCQXVJXRPKFLT-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC1(CCC)CCC1)[C@]12CC[C@@H]1C2	2069342292	NIDYHDBKGTYVNU-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)c1cc(C)c(C)cc1C	2070294876	LUCYLEOSCCTFBR-QGZVFWFLSA-N	245.410	4.532	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CC[C@@H]2C2CCC2)c(C)c1	2071782987	OCMURYJGANXAHE-CVEARBPZSA-N	243.394	4.602	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)CCC1	2071913077	MWURGFFNSDLNEG-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(C(=O)CC2(C(C)(C)C)CCC2)o1	2071927157	XKJYNKFKGJBZKH-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
CCCC1CCC(CC2=C[C@H](N)C[C@H](C)C2)CC1	2072813669	VSTYBQDAJXSUQU-ARAOSMHQSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CCC=C2CC)CC1	2072877353	HCTIFBCWJUCTMC-ZOBUZTSGSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](C[C@]12CCCC[C@@H]1C2)C1CCCC1	2074031113	XANQKNMFJDKIGW-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
c1cc(C2CC2)ccc1NC[C@@]12CCCC[C@H]1C2	2074046082	IPRKGTWPGVEPGP-RDJZCZTQSA-N	241.378	4.556	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C2(CCF)CC2)cc1	2074496781	WHIHOJBMIAVBIU-LBPRGKRZSA-N	248.341	4.523	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CCCC2(CCC2)CC1	2074900666	SBYBKQOERTWPID-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@](O)(C[C@H](C)C1CCC1)c1ccccc1	2075729317	OKQBKSCRKOAZAL-WMLDXEAASA-N	246.394	4.501	0	10	BJAE	
CCCCN(CC1CC=CC1)C1CCCCCC1	2076556566	RFWZRMXJSDWPET-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CCN(CC[C@@]12CCC[C@H]1C2)C1CCCCCC1	2076557847	FRWDARCPDLYBCI-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1C[C@H]2CCCC[C@H]21	2077188963	CJTQFUPAAVGFSO-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@H]1C[C@H]1CC	2079264760	JJFPYMNNKVCTIO-CZUORRHYSA-N	245.410	4.578	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1C[C@@H]1c1ccccc1	2079551956	BJILXFIVGVPHBK-JKSUJKDBSA-N	246.394	4.512	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1C[C@H]1C(C)(C)C	2079811828	GLFOXINUMKYWLL-DZGCQCFKSA-N	246.394	4.871	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)c1ccccc1C1CC1	2079853008	TXZTULYPVVWMJM-UONOGXRCSA-N	242.362	4.573	0	10	BJAE	
CCCCC[C@@H](O)c1ccc2c(c1)CCC2(C)C	2082318103	SWBQFDWBKXAWBN-MRXNPFEDSA-N	246.394	4.524	0	10	BJAE	
CC(=C[C@@H]1CCCC(C)(C)C1)C1CCC(N)CC1	2082979378	NEJKLIFLMWTZAZ-FHERZECASA-N	249.442	4.667	0	10	BJAE	
C[C@@H](CCCCN)CCCCCCC1CC1	2210524714	GPKHBURNSPNNKT-CQSZACIVSA-N	225.420	4.502	0	10	BJAE	
CCCCC[C@@](O)(CC)c1cc(C)sc1C	2211644484	RUELPUPSETZCQU-AWEZNQCLSA-N	240.412	4.543	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)c2cc(C)c(C)s2)CC1	2215818810	SQJZGRPRUNVLBP-CABCVRRESA-N	249.423	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)CCCCCCCC1CC1	2216863365	PBBBYMWOBPPWAB-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CC1CC([C@@H](N)CCCCCCCC2CC2)C1	2216877325	KTWLTCDPZVVZKG-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@]1(O)CCCCCCCC1CC1	2216878515	CXXVLWUNJOVIPM-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)C1(CN[C@H](C)CC)CC(C)(CC)C1	2217141262	SFDOUSAQUCIDNX-QRNKSROTSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CC(C)(C)CC)C=CCC1	2217149104	HLJVVEUSLWPYKJ-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CN[C@H](C)CC)C(C)C	2217149827	KLJXNVWFMPYOIA-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
O=C(CCC1CCC1)CC1C[C@H]2CCC[C@H](C1)C2	2218332356	MOZFPRIBCAZTQU-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
N[C@@H]1CCCC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218361191	KZBXZQVWPRRRMS-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccnc(C(C)C)c2)C1	2220885829	QKXBILVYXRUBLS-ZIAGYGMSSA-N	246.398	4.586	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)c1ccc(C2CC2)cc1	2220959223	KAMHNJCDUFTCRU-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@H]1CCCCC12CCC2	2220964232	WHSAPNZNZBJTIJ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@@]1(C)CC=C(C)CC1	2221618668	KAEZBDYCAAYBHB-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)c2c(C)cccc2C)CC1	2221995354	PFNNVJQWBGJIFL-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
C(CCCC1CC1)CCCN1C[C@@H]2CCCC[C@H]21	2223110623	PLXPOLNCKWFIAS-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](C)c1cc(F)ccc1C1CCCC1	2223275511	KDDDHWHQBFCLSH-LBPRGKRZSA-N	249.373	4.544	0	10	BJAE	
C[C@H]1CC=CC[C@]1(CNC1CCC1)CC(C)(C)C	2223542536	RIGRDPWVSJWINY-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)CNc1c(F)cccc1Cl	2244802263	PHFYFMIYMSYRDG-SNVBAGLBSA-N	243.753	4.717	0	10	BJAE	
CCN[C@@H](CC)CCC[C@@H]1CCCCC12CC2	2246627019	ODHIQPVUKHFRHN-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccccc1OCC1=CCCCC1	2247559793	XCBAGTOKINVGLD-UHFFFAOYSA-N	230.351	4.689	0	10	BJAE	
CCC1(CNc2cccc(C(C)(C)C)c2)CC1	2249261067	XMIULOZIPGABTF-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@@H]1CCCC[C@H]1C	2250351123	AFROWOAPSQHOQC-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccc2sccc2c1	2250384972	DWPWTQGGQQLNBU-ABAIWWIYSA-N	247.407	4.727	0	10	BJAE	
CC[C@@H]1CCN(CC[C@@H](C)CCCC(C)C)C1	2250466086	AAZFPNLQWACCTQ-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)CC(C)(C)C	2250468565	FIMOYRZWZUEFLR-CABCVRRESA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C[C@H](CN)C(C)C	2250477720	AOQYZFJGJGUZIT-JKSUJKDBSA-N	239.447	4.626	0	10	BJAE	
CCCCC[C@H](C[C@]12CCC[C@@H]1CC2)NCC	2251176660	SXPSQWHDKNATDS-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCCCC12CC2)C1CCC1	2253800734	BASROYNAGDAFKR-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)C1(C2CC2)CCCC1	2254542125	DZBOXGCCUJUSOT-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCC[C@H]1CCCC12CC2)C1CCCCC1	2255231893	DANLKZSYZWMIOJ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@H]1CCCC12CC2	2255250705	YUZLCSVUGOVXAV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C[C@H](N)CC[C@@H]1CCCC12CC2)C1CC1	2255291791	RVYAEYMSHPEHTA-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCN(C)C1CCC=CCC1	2257964804	ZLMQEIIAPJOFME-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)C[C@]12CCC[C@H]1CC2	2260576751	ATXAKUZUMRMIEF-YVEFUNNKSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1NC[C@]12CCC[C@H]1CC2	2260593633	XVRXBFKLCLLDPV-DOTOQJQBSA-N	243.394	4.631	0	10	BJAE	
CCC(CC)[C@@H](N)c1cccc(C2CCCC2)c1	2260726142	XOSRJNWNEXERLI-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CC=CC[C@@H](C)c1ccc(Cl)c(C)c1	2296095238	PEGHLUSIGDGKBT-SNVBAGLBSA-N	208.732	4.718	0	10	BJAE	
CCC(CC)CCC1(C(=O)O)CCCCCC1	2300685046	AHSADAQXWZCFLF-UHFFFAOYSA-N	240.387	4.628	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CC(C)=C[C@@H](C)C1	2300690321	HQFFYYOKDDJMLD-KCXAZCMYSA-N	238.415	4.556	0	10	BJAE	
CC(=CCC(=O)c1ccoc1)CCCC(C)C	2300897020	OLPBISLSOOAUEL-UHFFFAOYSA-N	234.339	4.625	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CCC[C@H](CC(C)C)C1	2300898852	IQRXSDRCEQFAKS-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CCC(=O)c1cc(C)cc(C)c1C	2300920073	CFTLBGJCMRIAPL-UHFFFAOYSA-N	230.351	4.541	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC2CCCCCC2)C1	2301142582	KMVJCXIDQUJUJR-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CC2CCCCCC2)C1	2301240874	DODCVHIFCVRZTH-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CC[C@@H](c2nc(CC3CCC3)cs2)C1	2302254696	PHLGJSXHPXSZHQ-DGCLKSJQSA-N	249.423	4.779	0	10	BJAE	
CCC(C)(C)CN(C)CCCC1=CCCCC1	2302342436	IPALOPNAEBLFAC-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCCC[C@@H]2C[C@H]21	2302837160	SPGUADFWVVMUJB-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCN(C)[C@H]1CC(C)(C)[C@H]1C	2303254737	QHHYRWROGSVHNG-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@H]1CCC(C)=C(C)C1	2303518556	AXFGPFPQZONNKG-HOTGVXAUSA-N	237.431	4.633	0	10	BJAE	
CCC(C)=CC[C@H](O)c1cccc(C(C)C)c1	2303713798	YWJIPZRBYVDXFS-INIZCTEOSA-N	232.367	4.590	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(F)(F)CCC1=O	2307801792	QBUVSKGESITACD-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC[C@@H](C(C)C)C1	2307874449	GRKMCBKOQBFNJB-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H]1CC[C@@H]2C[C@@H]2C1	2308132764	GERUKZZVDHKPKJ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N[C@H]2C[C@@H]3CCCC[C@@H]32)C1	2310193749	LSOUTGBMPPZXGG-LZYVMWMOSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@@]12CCCC[C@@H]1C2	2311127447	MDKJWWNANMFDMN-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@@]23CCCC[C@@H]2C3)C1	2311149523	NMNPAIWXRNNZIM-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](NCC)C1=CC[C@@H](CC)CC1	2311513153	SUXNAELUZAKYLI-MWQQHZPXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)[C@]12CCCC[C@@H]1CCC2	2311564899	LSZNJYBETCIFFB-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)[C@@]12CCC[C@@H]1CC2	2313296449	ZITMEMBQRLQAHK-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CN[C@@]12CCCC[C@@H]1CC2	2313311134	QSNZSETYTJWOCO-MWDXBVQZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NC[C@@]12CCCC[C@@H]1CC2	2313315712	NZDCOPVPLZWEFH-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
NC[C@@]1(CC2CCCCCC2)CC12CCCCC2	2316923819	IEMQJEWEBKHYDT-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
O[C@H](CCCC1CCCCCC1)c1ccccc1	2317003880	XPXCMGSPMPCBTI-QGZVFWFLSA-N	246.394	4.861	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@@]12CCCC[C@@H]1C2	2318573263	PODJUDPPEKCNGT-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320152544	KOVCTGWWVGGCPW-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)ccc1NC[C@H]1CC[C@H]1C(C)(C)C	2320239277	CICHLPQUIAUMLW-TZMCWYRMSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(N)CCC3(CCC3)C2)CC1	2320333477	HFVFQEINFVKDMU-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](NCC2CC(C(C)(C)C)C2)CC1	2320408177	IBCNFRSKNHUQPL-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(CN[C@@H](C)[C@H](C)C(C)C)c1	2320606977	WYBNSBXBCYPQQC-CABCVRRESA-N	247.426	4.580	0	10	BJAE	
CC(C)(C)C1(C[C@@](N)(CC2CC2)C2CC2)CCC1	2320627722	YEHPQFSMIKSKNF-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC12CC(C3(N)CCCCCCC3)(C1)C2	2321583577	GKPYVGQAFBWDJH-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H](CCC2(CNC3CCC3)CC2)C1	2321618160	BHZWVPBAAVOJOG-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)C[C@@]23CCC[C@@H]2C3)C1	2321642855	SBAACUGFBPNDPX-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c(C(O)(C(C)C)C(C)C)c1	2327701982	SUSLNEFEHKXVIC-UHFFFAOYSA-N	248.410	4.618	0	10	BJAE	
CCC[C@@H](CC)CN1CCCCc2ccccc21	2328282400	OVHLPIQAFYBQAS-OAHLLOKOSA-N	245.410	4.656	0	10	BJAE	
CCCCCCNc1ccc(C)c(Cl)c1	20359013	UAPYXKFBNCSRJM-UHFFFAOYSA-N	225.763	4.641	0	10	BJAE	
CC(C)C[C@@H](NC1CCCCC1)c1ccccc1	21812684	QAHVTBZNXGLVEG-QGZVFWFLSA-N	245.410	4.696	0	10	BJAE	
CC(C)CC(CC(C)C)NC1CCCCCC1	22151843	WREBGUPFIPONRA-UHFFFAOYSA-N	239.447	4.760	0	10	BJAE	
C1=C(CSc2ccccc2)CCCCC1	34087138	QJPFTYGJQUZUSC-UHFFFAOYSA-N	218.365	4.669	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](NC)C2CCCC2)cc1	35469266	VACIBHJJKFIKEL-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H](C)n1c(C2CC2)nc2cccc(Cl)c21	40407528	POYDYMUNXIOJBZ-SECBINFHSA-N	248.757	4.538	0	10	BJAE	
Clc1cccc(NCC2CCCC2)c1Cl	41289954	WVXMHZZTRIOGBE-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CCCC[C@H](CC)CNc1ccccc1Cl	71126029	BDMGIPKBBZUKGS-LBPRGKRZSA-N	239.790	4.968	0	10	BJAE	
Cc1cc(N[C@H]2CCCC(C)(C)C2)ccc1F	79979099	VMZFFMVIMXEDOI-ZDUSSCGKSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCCCC1=C1CCc2cc(N)ccc21	94338508	MWTGITXAGYYHNL-GFCCVEGCSA-N	241.378	4.569	0	10	BJAE	
CCCCCC(=O)c1c[nH]c2cccc(Cl)c12	94612871	INOTYWPJFWPNHK-UHFFFAOYSA-N	249.741	4.584	0	10	BJAE	
CCCc1ccc([C@@H](O)C2CCCCCC2)cc1	104040874	GYGPRGPVXZHXNE-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CC/C=C\C[C@H](CCC)c1ccc(N)cc1	107534829	IJYPDGTXTBDCCH-SZZPACECSA-N	217.356	4.509	0	10	BJAE	
CC/C=C\C[C@H](CC)c1ccc(C)cc1	107558341	YWWIRIXRZWDNBZ-AFNCTOJWSA-N	202.341	4.845	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	109665339	AWUPCWUGNNHHLM-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)c1ccccc1C	109697074	DNMNDJDKKOSGMA-WBVHZDCISA-N	248.410	4.809	0	10	BJAE	
CCCC(N)(C1CCCCC1)C1CCCCC1	112983870	DZAZHKKZTSGPAH-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC(CC)CC)C1	129233296	UAHVHZDVWQSHRB-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)c1csc(C2CCCCC2)n1	132220581	VFGMCBRFNITTPY-SNVBAGLBSA-N	223.385	4.704	0	10	BJAE	
CC[C@H](C)c1csc(Cc2ccc(C)cc2)n1	132231459	GEDISMAZIUUWJN-LBPRGKRZSA-N	245.391	4.556	0	10	BJAE	
CC(C)(C)c1cc(Cl)cc(C(F)(F)F)c1	149515519	QZCFWNDHKKHGOC-UHFFFAOYSA-N	236.664	4.656	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CNC(C)(C)C)C1=CCCCC1	161460919	HAYYNOPWCJTZQM-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C(=O)[C@@H]2CCCCCCCCCC[C@@H]21	162334614	CDUINYALFUACRR-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCSc1ccccc1N[C@H]1CCC[C@@H]1CC	164042061	OEMCSTIHQBRSFL-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)c1ccccc1	166182200	ZGECATIQCQBEOG-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
CCCCCC[C@H](O)c1ccccc1C(C)(C)C	168238729	PQHUYZBFRVDHJY-INIZCTEOSA-N	248.410	4.988	0	10	BJAE	
Cc1ccccc1C1(C(C)(C)F)CCCC1	220339940	DBLGKFJOGNTHNF-UHFFFAOYSA-N	220.331	4.555	0	10	BJAE	
CSc1cccc(N[C@H]2C[C@@H](C)CC[C@@H]2C)c1	221607292	GTSBTUAGISWQPN-HUBLWGQQSA-N	249.423	4.645	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@H]1CCC[C@@H](C)C1	227006179	VXOMNQDJLSLATQ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)c1ccsc1C	227912807	SQCFYOCOHKOJDX-FZMZJTMJSA-N	239.428	4.533	0	10	BJAE	
CCC(CC)C[C@@H](N)c1ccc(C(C)(C)C)cc1	229165397	HMJBTOPPYHPYMK-MRXNPFEDSA-N	247.426	4.810	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C1(CC)CCCC1	229337490	FJICNMXBKVDBMY-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCC[C@H]1c1c[nH]c2ccccc12	232786748	HWPJIJCJZCRVDG-AWEZNQCLSA-N	227.351	4.852	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CNc2ccccc2C1	232995048	BLVHDGFMOILQMM-HUUCEWRRSA-N	245.410	4.877	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H](C)C[C@H](C)CC	252895159	ACCYFQAKILDKPH-INMHGKMJSA-N	247.426	4.800	0	10	BJAE	
CCC1(C(=O)CCCC(C)(C)C)CCCC1	300942353	WGHKPXDYTLTIRN-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@H]1n1ccc2ccc(F)cc21	301865287	QXHOOAYCGCFTRW-SWLSCSKDSA-N	245.341	4.922	0	10	BJAE	
CCc1ccc(C(=O)C[C@H](C)CC(C)C)cc1	304200160	YZYNGZJWOOPLCA-CYBMUJFWSA-N	232.367	4.504	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC[C@H]2CC)cc1C	306052581	UJGXBCNWNRRKSN-NVXWUHKLSA-N	245.410	4.938	0	10	BJAE	
CCc1cccc2sc(Cl)c(CC)c12	306550358	CMZOIAOAJUISJC-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCC[C@@H](NCCCCCCC(C)C)C1CC1	310207518	FIMCKPYTGUZLDG-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CCC[C@H](N)C(C)(C)C)C1CCCCC1	310334396	MJLRKBWROWGHCI-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C[C@@H](O)C1CCCCC1)C1CCCCC1	310362613	UWRJJMPCAIVTOQ-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@]1(C(CC)CC)CCC[C@@H](CC)C1	317537892	AQBGXKJQTVULJU-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@@H](C)n1ccc2ccc(Cl)cc21	319615912	NYKMLTPRRAPNPO-SNVBAGLBSA-N	221.731	4.512	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cc2ccccc2s1	319648624	FBJCORHTPYJHCL-MNOVXSKESA-N	246.375	4.766	0	10	BJAE	
CCCN[C@H]([C@@H](C)[C@@H](C)CC)C1(CCC)CC1	320166026	YIVNFFJHHRHJPJ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)C(C)(C)C1CCC1	322621858	PGYXGPGKOHZNII-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](n2ccc3cc(F)ccc32)C1	379616934	DIWWSICQAZLRTH-FZMZJTMJSA-N	231.314	4.532	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)C1=CCCCCCC1	379879278	ANJOIBVHBVAQIZ-AWEZNQCLSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](CCCC1CCC(C)CC1)C(C)C	383644937	GFCKOYPFSHMEEY-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H](C)CC(C)(C)C	384501351	CLWHSOFDHNBHGL-STQMWFEESA-N	227.436	4.616	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H]1CCCC1(C)C	385872573	JNGZYSOVMWZZPE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C(=O)CC2CCCCC2)c(C)cc1F	386280811	FHFNZXJSMRQMMF-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCC1CCC(Nc2ccsc2Cl)CC1	387210711	JNKCFVULTSRELJ-UHFFFAOYSA-N	243.803	4.782	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H]1CCCC1(C)C	389000573	QOZHJDKPRJAGGX-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(CCN[C@@H]2CCCC23CCC3)CC1	394861255	MAFUAPOLOJSFLU-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CSc1cc2c(C(F)F)cc(C)cc2s1	396414249	ZOWOKOCBMLCQEU-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC[C@H](Nc1ccc(C)c(C)c1)[C@H]1CC1(C)C	397650349	LRDCXYRHVUAKQB-CABCVRRESA-N	231.383	4.540	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C1(C)CCCCC1	400396868	MOXPLQKVNSTYQU-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1C[C@H](CCCC2CC2)c2ccccc2N1	406105229	KCDXRVVJJNMTIG-OCCSQVGLSA-N	229.367	4.555	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](CC)C2CCC2)c1	689512117	QOAWPXJMBGPPPY-MRXNPFEDSA-N	245.410	4.802	0	10	BJAE	
CCC1(CN[C@H]2CCCCC[C@@H]2C)CCCC1	691088187	JWMQUOVEPRYCKB-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@]12CCCC[C@H]1C2	693630389	MYUOMSFGAPMZAU-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CC(C)(CC(=O)CC1CCCCC1)CC(F)F	694654807	CECVGDNRJSNOBF-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2CCC3(CC2)CC3)C1	695667613	RZRAGYYSDFDTFJ-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](C)C[C@H](CNC)C1CCCCCC1	696854824	UYOFJDZZVSCHHS-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC(F)(F)C(C)(C)CC(=O)CC1CCCC1	700766987	XSONMBZBDUJKTD-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C1CC(C)(C)C1	701458324	KRUMNICLSRFFDL-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)[C@H](C)CC(C)C)c1C	704735228	MYGKOEZQYANWTA-CXAGYDPISA-N	247.426	4.602	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC1(C)CCCC1	704824273	IEWRXVNHGLYVNF-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)CCCC(C)(C)C	708281081	JFBGURUSNJBKAM-CHWSQXEVSA-N	227.436	4.602	0	10	BJAE	
CCOc1cccc(NC[C@@H](C)CC(C)(C)C)c1	709214445	NROOTTJISMDDTL-ZDUSSCGKSA-N	249.398	4.570	0	10	BJAE	
N[C@H](CCC1CCCCC1)C12CCC(CC1)CC2	710262473	ITLWEJAGSVDSJJ-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H](CC)C(C)(C)C	711184742	MNEJXLWGPUVNAJ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
C[C@H](COc1cc(F)ccc1Cl)C(C)(C)C	711227905	FZXSBTAXHGDCQT-SECBINFHSA-N	244.737	4.540	0	10	BJAE	
CCNC(CC(C)(C)CC)CC(C)(C)CC	713125604	LAMFRYUCSHEVBT-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CC[C@@H](C)c2ccccc21	713245195	SQESHXPICLPWFJ-DYVFJYSZSA-N	245.410	4.564	0	10	BJAE	
C=C/C=C/CCCC(C)(C)C(C)(F)F	713668557	COWVSAMBLMJXLS-VOTSOKGWSA-N	202.288	4.580	0	10	BJAE	
CCN[C@@H](CCC(C)(F)F)CCC(C)(C)CC	713999381	ABRRLSFWTJVIPU-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC/C=C/[C@H](C)Cc1ccc(Cl)c(C)c1	714553073	NULHQPNVMPGQAM-QRGHLMKCSA-N	222.759	4.793	0	10	BJAE	
CCN[C@H](CC(C)C)[C@@H]1CCCCCC1(C)C	719216662	KKTRLKPHCCKJRI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C[C@H]1CC12CC2	722606842	MJZBIORMXUHYIS-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(Cl)c(OC(C)(C)C)c1	829086552	VAPKFGDLJYSEDM-UHFFFAOYSA-N	226.747	4.641	0	10	BJAE	
CCCCCN(CCC(CC)CC)C(C)C	1900702603	PRBBKFAUXFHETL-UHFFFAOYSA-N	227.436	4.713	0	10	BJAE	
CC(C)CC(=O)CCC[C@@H]1CCC(C)(C)C1	1903426854	DXVSHKPHJPELPW-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CCC)C1CCC1	1905398380	NCIPSOGELZPOER-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1cccc2ccsc12	1910735188	KTGFFKZBSQAMHB-OLZOCXBDSA-N	245.391	4.749	0	10	BJAE	
ClC=CCNc1cccc(-c2ccsc2)c1	1911678448	XHEFQLIKTPKEFI-UHFFFAOYSA-N	249.766	4.580	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(O)CC2(CCCC2)C1	1912724636	UTXKFSUKRHVXKB-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(O)CCC2(CCCC2)C1	1916444843	LYPZIPHQSPFEJM-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](N[C@H]1CCC2(CCCC2)C1)[C@H]1CC1(C)C	1916492522	JJHIXYYPYJTYCG-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@](O)(CC)[C@H]1CCC[C@@H](CC)C1	1919523683	LOOQUZWVAVMZSF-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)CC1(CNC)CC(CC)C1	1921176564	PNRWMXMFLJZQBD-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1CC(C(C)C)C1	1921266824	QRZXPUGSJYSSBN-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)[C@H]1CCCC12CCC2	1921606753	TXMWXVVUUJZKFV-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1C=CCCCC1	1925801150	AFVQIOZVMKXCFD-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC(=CCC2=CCCCC2)[C@@H](CN)C1	1927156719	HWHAYSPBJCACMF-MRXNPFEDSA-N	247.426	4.588	0	10	BJAE	
CCCCC[C@@H](CC[C@H]1CC1(C)C)NCCC	1940857490	XQTCLTZQIHZONB-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC1(NCCC[C@@H]2CC2(C)C)CCCC1	1940874000	DSBVCSYVEBSULI-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1c(F)cccc1NCCCCCC1CC1	1941578024	WBIMFCNAMHZIJP-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)C(C)(C)C	1941813296	GKJYTYIHKUBPNZ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@H](C)CCC(C)C	1942651761	ABLFYAHFMRNXPO-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C[C@H]1CC1(C)C	1944748634	BQJHUXCSFURZIE-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@H](O)c2csc3ccccc23)CCC1	1945625232	MYHKJTGUBPBHFI-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)[C@@H](C)CC(C)C	1948327343	OIMSSCLZGBFQJM-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)[C@H](C)CC(C)C	1948327989	RQPDIOLMNNHQMN-CVEARBPZSA-N	241.463	4.993	0	10	BJAE	
C[C@@H](C[C@@H](N)CCCC1CC1)C1CCCCC1	1948934583	FBCDMQUEMYDSAE-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)c1ccc([C@H](N)C2=CCCCC2)s1	1948973981	HEPSSEADXUAQKI-CQSZACIVSA-N	249.423	4.546	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C2=CCCCCC2)CC1	1948977501	GJLZNGLEHLOAPI-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
CCN[C@H]1C[C@@H](CCC(C)(C)C)CCC1(C)C	1949660413	IJNJXNATXQYDFX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC[C@@H](O)CC1CCCCC1	1949913228	QVAAQZGNRVAFKG-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@]1(CNCC(C)C)CCC[C@H](C)CC1	1950931455	XBADDUPJWHCCTG-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCc2c(C)cccc21	1969351996	ZFBDRNLSNQSJBG-PBHICJAKSA-N	245.410	4.541	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCCC(F)(F)C1	1974285122	JAQNXWUEULRVHK-CYBMUJFWSA-N	247.373	4.513	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1ccc(Cl)cc1C	1976002561	BTGLJUFMMQPSDQ-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCCC(C)(C)C1	1978373310	ACEISPUKJDYHLG-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)CC(C)C	1978656980	XUQUQKQNCZLAJE-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C(=O)CCC[C@H]1C	1994318096	MTEXRTDVGWXVQP-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(C=O)sc1-c1cccc(C(C)C)c1	1995687347	ZHPSXOMLHQQFRE-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CCC(C)(C)[C@@](N)(CC)C1CCC(C)(C)CC1	1996568923	VZBSDAUAHVKSGU-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)[C@H](CCCC1(C)CC1)NCC	1996614261	AVYFZMIJDGERLP-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H](C)[C@]1(N)CCCC2(CCCCC2)C1	1996647823	RPMYYIXPRIMHSJ-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C(=O)[C@]2(C)CC=CCC2)CC1	1997607557	VNJGRHOASTVBNM-ZBCRRDGASA-N	234.383	4.518	0	10	BJAE	
Cc1c(N)cccc1S[C@@H]1CCCC(C)(C)C1	2000051844	RENJNNHNDNAGOS-GFCCVEGCSA-N	249.423	4.638	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@H]1CCCC(C)(C)C1	2000052689	XJRCVZAKDCZXKA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)C[C@H]1CCCC(C)(C)C1	2000176960	UTXOWMUBGJYYKT-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNC)C[C@H](C)CC(C)(C)C	2000510329	OKNSZOMDVPUWQJ-ZBFHGGJFSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)CC1CC(C)C1	2000511785	VPWFLILRTZOFPB-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)CC(C)(F)F	2000516289	WFGUIERSFPBOKL-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCCCC[C@@]1(CN)CCC12CCC2	2001851354	MTAHFVFBEWQVKI-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(O)CCCC2(C)CC2)C1	2002998100	IWMJJQYLEOHGDF-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CCCC2(C)CC2)C1	2003019327	WYRNARPMSHERRY-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCCCC1=O)C(C)(C)C	2003074807	OICWVTXBBMKDMU-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CC(C)C[C@@H](C)CNC1CCCCCCCC1	2003076131	ZKWUWZSEGLWAKX-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)NC1CCCCCCCC1	2003092644	JLFYKXBJBLSVNL-HNNXBMFYSA-N	239.447	4.904	0	10	BJAE	
CC1(C)C[C@H]1CCNC1CCCCCCCC1	2003098649	HIGNSRGBRZRHTQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)CCCC(C)(C)C	2007623400	UAPQSYRIHXGUQZ-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](CC1CC(CC)C1)NCCC	2007749801	QAPXXDOITNJNJE-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCC[C@H]1CCCC[C@H]1CNC(C)C	2009612231	SSDLOBJAHSAOTR-SWJNODNISA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC[C@@]12CCC[C@H]1C2)NCCC	2011002510	SSSYMGZVNOTBDN-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)CC(=O)CC1CC2(C1)CC(C)(C)C2	2011845896	PKGIFUOSIACXQD-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](C[C@H]2C=CCCCC2)C1	2012097268	YNYCRRGEAGJJAN-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
Cc1ccsc1C(=O)CC12CCC(CC1)CC2	2012805729	JBKNABRJRJXZFS-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](CCCCCC2CC2)N1	2013531255	QUHZXPAFKOGZPF-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CN[C@H](C)[C@H](CCC(C(C)C)C(C)C)C(C)C	2015339387	OJHLTEPRYRCHJG-GDBMZVCRSA-N	241.463	4.575	0	10	BJAE	
CNCC1(C[C@@H](C)C(C)C)CCCCCCC1	2015411088	FFBZASIUNAHXAQ-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCC1(C[C@]2(N)C[C@H](C)CC[C@H]2C)CCC1	2015641285	CARBIHXTXMUMPB-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@@]1(C)C[C@H]1C	2016466516	HTLHQGOFWACUDI-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCN[C@@]1(C)CCCC(C)(C)C1	2017619848	UROFVNRJNSOPCB-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(O)CC[C@H](C)C2)CC1	2017650955	NUYNPEWIFBYYNH-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(CC)CNC)CC1	2017729216	UKEANFSHWDONLY-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(C[C@H](C)CNC(C)C)CC1	2017729537	XQEFPIJATDZARF-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CC[C@H](C)CC2)C(=O)C1	2017776879	VWNJKARYNFVZQY-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@@H](C)C(C)(C)C	2018187783	IDCOHMJNQKALKJ-HUUCEWRRSA-N	241.463	4.959	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H]1C[C@@H]1C(C)(C)C	2022560673	QKLJWTXKZNWLSM-KNCOVGOOSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(NCCCCC(C)(F)F)c1C	2023290542	RNHKAYQDRCOQBQ-UHFFFAOYSA-N	241.325	4.541	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1C[C@H]1CCCC(C)(C)C1	2024091484	JAGSUAJBMLOJDF-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@@H](C[C@H]1CCCC(C)(C)C1)NC	2024096864	WHEBSFGGTCZZPR-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@@H]2CC(C)(C)C2(C)C)c1C	2025016890	FMDAKCRRCVZFDM-CQSZACIVSA-N	231.383	4.540	0	10	BJAE	
CCC1CC(CCN[C@@H](C)CCC=C(C)C)C1	2025367217	SFYTTYFXGLWAHN-FHERZECASA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC[C@@H]1CC1(C)C	2026081948	NGIOIXIRNADJOV-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@H]1CC12CCC2	2026166785	MKJCPSHYBOKPQF-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(C2(C)CC2)cc1	2028598803	UZFCZVXIBSMRIF-INIZCTEOSA-N	245.410	4.708	0	10	BJAE	
C1=C[C@H](NCCC2CCCCCC2)CCCCC1	2028788644	FEJVOUVGYLCSKR-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCNCC1(CC2CCC=CCC2)CCCC1	2028874047	KMRBFJNTGDLRHO-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1ccccc1CC(C)C	2028928482	XBTIYQUONXTIMO-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
CC1(C)CC(C)(Nc2ccc3ccccc3c2)C1	2029221623	PMBIRBADICOLHR-UHFFFAOYSA-N	239.362	4.830	0	10	BJAE	
CCC1(C(=O)c2ccc(C3CCCC3)cc2)CC1	2031743779	FMZZEYDRCXKMGO-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
Cc1ccc([C@@H](O)C(C)(C)C2CCCC2)c(C)c1	2032271959	KNLYXZQIHKEIQA-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CCCNC[C@]1(C[C@H]2C=CCC2)CCCC1(C)C	2035590679	UATWHMMICPHKEK-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CN(C1CCCCCC1)[C@H]1CCC2(CCCC2)C1	2036771331	NETUBRJDFSEHGB-INIZCTEOSA-N	249.442	4.754	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@@H]2C=CCCC2)CC1	2037304881	JWLKJYFAQLDTIY-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)[C@H]1CCC2(CCCC2)C1	2037753936	APFXCGJDADUOLU-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCC(C)CC1)[C@H]1CC=CCC1	2042024293	KHXDCVWULXSXNW-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1([C@@H]2CCC[C@@H](C)C2)CC=CCC1	2042090672	DJVMKMQHDFZWDJ-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCCNCC1([C@@H]2CCC[C@H](CC)C2)CC=CC1	2042095392	AHYNBDHDYQQRKQ-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCC2(CCC2)C1	2043603232	DOFZRRQMOQMIFY-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCC2(CCC2)C1	2043617321	ZOPMVZDJLFPIFG-AWEZNQCLSA-N	243.394	4.945	0	10	BJAE	
Cc1cc(F)ccc1OC[C@H]1CCC=CCCC1	2045314041	GDFOUVIURYEIBQ-AWEZNQCLSA-N	248.341	4.649	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1[C@@H]1CC[C@@H]2C[C@@H]2C1	2047345327	FRWOMCJDVSXSAI-KLHDSHLOSA-N	248.410	4.742	0	10	BJAE	
C1CCC[C@@H]2[C@@H](CC1)C[C@H]2NCCCCC1CC1	2047434015	GULQGRHFQLTSEQ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@]1(N)CCCCC12CCCCC2	2047561154	OHWYZMQVDUFIEU-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
C1CCC(CC[C@@H]2CC[C@H]3CCCN[C@H]3C2)CC1	2048094698	JHPCVCNXTUSHLM-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2048366469	QOASAQNNJJVILN-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCCC1	2048466432	XQOQLWBSJJPIIL-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
CC(C)NCC1(C[C@H]2CCC3(CC3)C2)CCCC1	2049854240	JGHMIZIZLXYATI-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2[C@H]3CCCC[C@H]32)CC1	2051601657	HLOPREKXONWRLB-FWTFNCGHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC1CC2(CCCCCC2)C1)C1(C)CCC1	2052347886	GPAMSIFDXHBJLS-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CCC[C@@H]1C1(CNC2CCC2)CCCCC1	2055286395	PIRSQMQQVVIYEW-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](NCC2CCC(C(C)(C)C)CC2)CC1	2055846190	RZEKYVORBMUTNR-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C2(C3CC3)CCCC2)C1	2057607354	VGJJSZFNDIHIDA-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(N[C@@H]2C[C@H]3CCCCCC[C@@H]32)C1	2058831868	QRIWYVPOTQOZOV-SFOJROILSA-N	249.442	4.514	0	10	BJAE	
CC=CCCCC1(N)CCC2(CCCCC2)CC1	2059207437	QSFKTWHAOKQNSP-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
C/C=C/CCC[C@@H](NC)c1cccc(C2CC2)c1	2059266905	KEQMPRHTDTZREC-REMYHPOOSA-N	243.394	4.571	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C2=CCC(C)(C)CC2)CC1	2061137076	GNSKPIIHFLJIPB-DZKIICNBSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@@H](N)C1CCC(CCCCC)CC1	2061565786	GGSZMRYBBMSNFI-OFLPRAFFSA-N	249.442	4.822	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H]1CCC[C@@H](CC)C1	2061566063	IYQNDMHGLIGMDX-IKGGRYGDSA-N	249.442	4.692	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)CC[C@]12CCC[C@H]1C2	2061603179	RQOGIGVOZYBUAA-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNC1CC2(CCCCCC2)C1	2062598218	QBLQTFJXGFXDMC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@H]1C[C@H](C2CCCCCC2)CC2(CCC2)C1	2063643814	WOJKMXCVGVDCSV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)C12CCCC1CCC2	2063822330	QSSVTFARFUZHNI-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C23CCCC2CCC3)C1	2063829667	HSNDHTLFUCJSTA-UWEUSHKOSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@H]1C[C@@H]2CC[C@@H]2C1)CC1CCCCC1	2068772033	TXOHMWDCTIZFRS-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@](N)(C[C@@H](C)C(C)C)c1ccccc1	2069018851	LKHZTBKYJMGEDJ-NVXWUHKLSA-N	247.426	4.569	0	10	BJAE	
CCC1(C[C@H](NC)[C@@H]2C(C)=CCC[C@@H]2C)CCC1	2069280405	KEYFZYUFAXTZEC-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CN1CCC(C2CCCCC2)CC1	2072410501	BEXOXILGUNPVSM-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(CNC)C=CCC2)CC1	2072798520	KCTHGNYGLQTNRR-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC(CN[C@@H]2C=CCC[C@H]2C)CC1	2072802807	BLGIPSIFKSZZIG-RDHHWEPZSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCC3(CCC3)C2)CC1	2072807271	UNHNRDZHANOAST-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(C[C@H]2C(=O)C[C@H]3CC[C@H]2C3)CC1	2072876786	CWQDMFWJVIMKNW-SVXVCFNTSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](CCC(=O)c2ccccc2F)CC1	2072880342	VSZZRUXXOCEIDT-JOCQHMNTSA-N	248.341	4.615	0	10	BJAE	
CCCC1(C[C@](N)(CCC)c2ccccc2)CC1	2074637088	RMEOHDFPQRYSIU-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
CCCC1(C[C@H](C[C@]23CCC[C@H]2C3)NCC)CC1	2074647828	BVDLEDSHMKIZHL-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@H]1C[C@H]1C1CCCCC1	2079426400	ARVFZRXTTUSNIB-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2C[C@H]2C2CCCCCC2)C1	2079526757	GFHTWZBFXIKNBN-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(N[C@H]2C[C@@H]2C2CCCCC2)C1	2079531731	SGNRHSRRDLRDTL-BNICSPFPSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCC1CCC1)C[C@@H]1C[C@H]1C1CCCCC1	2079630866	YGRMUOABBIULNR-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@]1(N)C[C@@H]1C[C@@H]1C1CCCCCC1	2079831972	LWOCJDRPMVMTDZ-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)C1CC2(CCCC2)C1	2079842338	NRADKGWEQYIPOV-OCCSQVGLSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)[C@H]1CCCC2(CC2)C1	2079864866	NHRGAOZHFFLEFE-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H]1CCC[C@@H](CC)C1	2080258566	BMRHVQAOUKDKJF-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
O[C@]1(C=C2CCCCC2)CCC[C@H]2CCCC[C@H]21	2081135546	CSNXSFUTBBCNII-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCCC12CCC2	2081944600	LDKMABOQBCHLRI-HNNXBMFYSA-N	247.357	4.523	0	10	BJAE	
CC1(C)CC[C@H]([C@H]2CCCNC23CCCCC3)C1	2083815599	HVEANBBDATXLFQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CCCCC2CC2)C1	2214584462	RCUFWFAQGWITTJ-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@@H]1CCCCCCCC[C@@H]1O	2214970906	QYSYEZYBOFZWGL-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H]1CCCCCCCC1=O	2215324473	LCLDWJDKLHZEIQ-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@](C)(N)CC1(C)CC2(CCC2)C1	2215399885	AAPXMJOVFYJXHN-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CN)CCCCCCCCC1CC1	2216891119	HCKUTPBYOICHCN-INIZCTEOSA-N	239.447	4.892	0	10	BJAE	
CC[C@H](C)NCC1(CC(C)(C)CC)CC(C)C1	2217128715	HRRGHRIJNLWDJW-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1C[C@@H]2CCC[C@H]21	2217284573	ZEWPEOMESQIBME-NJZAAPMLSA-N	249.785	4.503	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)[C@H]1C=CCCC1	2218377121	BZNUWVGKTPYZNE-JJXSEGSLSA-N	246.394	4.518	0	10	BJAE	
Cc1cccc(C)c1C(O)(CC(C)C)CC(C)C	2222007353	SYKLBOMCBFVGOO-UHFFFAOYSA-N	248.410	4.583	0	10	BJAE	
C[C@@H]1CCC=C[C@@]1(N)CCCCCCCC1CC1	2223125082	PTCASFVWFIUDHS-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2C[C@H]2C)CCC=CCCC1	2223547825	OFLSOADFKSGKCM-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](C)CCCN	2244837758	QUVWHWMCDFDSSG-CABCVRRESA-N	227.436	4.604	0	10	BJAE	
CCC[C@](C)(O)CC[C@@H](C)CCCC(C)C	2244851733	MGUPXUJYBOVIPA-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
CCCN[C@H](CCC1(C)CC(C)C1)C(C)(C)C	2246517959	GOSYRRNTLNTTEN-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CC1CC(C)(CC(=O)CCC2CCCCC2)C1	2246521532	AMIYQAATKYUDJS-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C[C@@H](C)C(C)(C)C	2247128828	MAGOVFWOIWMQOO-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCCC[C@H]1C[C@@H]1C	2247157135	BQAAHRJYGQBOJB-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@H]1CCCC[C@@]1(N)CCC[C@@H](C)CC1	2247158869	JMTMPTJQSFCACO-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C[C@H]1CCC1(C)C	2247316868	ZQNFWPLVDZFHLU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)CC[C@H]2CCCC23CC3)s1	2247642976	JCYBBWPENHNIOG-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CC(C)C(O)(CCCCC[C@H]1C[C@@H]1C)C(C)C	2248870375	LVUKWIDRGYFNRI-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CC[C@](O)(CCCCC[C@H]1C[C@@H]1C)C1CCC1	2248876666	CGLAOWRHVJKYMO-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(N[C@H]2C=CCCCC2)cc(C)c1C	2249500490	HPVZRMYXBXJXRZ-HNNXBMFYSA-N	229.367	4.523	0	10	BJAE	
CCNCC[C@@H](C)CC[C@@H](C)CCCC(C)C	2250528285	MKJMGZWFDOXKMF-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCC[C@H](C)CCNC1CC(C)(C)C1	2250531611	ZIBQJQWOLFVHTJ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@]12CCCC[C@@H]1CC2	2251186583	HHNYWKAIQVAIMC-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](O)(CCCC2CC2)C1	2251673191	HLCSXEWBRDQGBR-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CCC1CC(C)C1	2251770338	HJAUKCTUAJXZES-NEXFUWMNSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(=O)CC[C@@H]1CCCCC12CC2)C1CC1	2253798101	WWJWTUSTCMGCPC-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC1CC2(C1)CC([C@@]1(N)CCCCCC1(C)C)C2	2254451762	JJCUOXUOUUPCAR-DRRRZMAASA-N	249.442	4.501	0	10	BJAE	
CCc1cc(NCCCC[C@H]2C[C@H]2C)ccc1F	2254543465	LMHRFKIWZJGMAU-OCCSQVGLSA-N	249.373	4.626	0	10	BJAE	
CC(C)(C)NCC1(CC2=CCCCC2)CCCC1	2255099937	MXVHHLDMRQCIJQ-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@]12CCCC[C@H]1CC2	2260523806	GWGZZKBVVNSBQL-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)[C@@H]1CCCCC1(C)C	2298886195	ZYOSNZVMLYJFAJ-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@@H](C)CC1CCC1	2298914952	LNKAOVLDHMNQQJ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC1CC([C@@H](N)CC2CCCCCC2)C1	2301147412	JODZZUUVFCGWPS-GPANFISMSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CCC1CCCCCC1)CNC(C)(C)C	2301148266	SNNRUKSYPANFTF-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCC[C@]1(O)CCCC1=CCCCC1	2302325848	KUMRGTSNJPSTJS-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
O=C(CCCC1=CCCCC1)Cc1cccs1	2302358293	FBBQPXYKSRQQEI-UHFFFAOYSA-N	248.391	4.530	0	10	BJAE	
CCNCC(CC)(CC)C[C@@H]1CCC(C)(C)C1	2302709069	DZWOATNLFQCSCQ-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@H]1CC[C@@H]1C(C)(C)C	2303506860	ADPKOZHRRPOOOE-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1CCC(C)=C(C)C1	2303594491	HYAVBVDSDBRRKZ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)CC[C@H]1CCC(C)(C)C1	2304425471	MDTCJSPKVPHJCC-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1CC[C@H]1CCC(C)(C)C1	2304425821	PEDWNQAVTVNACC-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(OCC[C@H]2CCC(C)(C)C2)c1	2304430428	ARSUKTUCRNJJJA-CQSZACIVSA-N	232.367	4.590	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@]1(C)CC=C(C)CC1	2307902063	IMYZCHLPSUBRAP-GDBMZVCRSA-N	236.399	4.908	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@H]2C2CCC2)CC1	2311478683	VKHSRVSMOTXKIA-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)C[C@@]12CCC[C@@H]1CC2	2313332680	WTULVXFKFMSPCZ-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(C(=O)CC2(C)CCCC2)ccc1C	2314695283	SOODHYRRCYIUDU-UHFFFAOYSA-N	244.378	4.711	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CCCCC12CC2	2316541787	JSUIOBPEHOLZDX-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
O=C1[C@H]2CCCC[C@@H]2C[C@H]1CC1CCCCCC1	2317007411	NJCXAOSGKLGVCW-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
COc1c(C)cc(N[C@@H](C)CCC(C)C)cc1C	2317377507	NOMCYFUCTKRKMS-AWEZNQCLSA-N	249.398	4.549	0	10	BJAE	
C[C@H]1[C@H](Nc2ccc(C(C)(C)C)cc2)CC1(C)C	2318182075	JJLIIVXBLSAYCJ-SWLSCSKDSA-N	245.410	4.831	0	10	BJAE	
CCC1(CC)CC(NCCCC2=CCCCC2)C1	2318510621	JTHAHZJRMFZHOY-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1CCCC1=CCCCC1	2318596789	DGKJNCJESMPUTN-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
NC1(C=CC[C@H]2CCCCC23CC3)CCCCC1	2318960394	LWNLNXIZDMFEBZ-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@@H]2CC3CC2C3)cc1	2318960720	OWARJXATFBDPTK-XCAIRMDXSA-N	243.394	4.658	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)CC2CC3(CCC3)C2)C1	2319145152	LZSRRFAIQQSQBZ-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
C1CCCC(CCN[C@@H]2CCCC[C@@H]3C[C@@H]32)CC1	2319253418	VBXXKAVYFSTACS-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@](CN)(C[C@H]2CCC(C)(C)C2)CC1	2320260180	BLXCXBHUHVKYFX-RDJZCZTQSA-N	249.442	4.668	0	10	BJAE	
CC1=C(C)C[C@H](C=C2CCC[C@H](CCN)C2)CC1	2320332806	APKXRAYYFOVKES-NVXWUHKLSA-N	247.426	4.588	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)[C@@H]2C=CCCCC2)CC1	2320411986	MOUDNRNPLYHECZ-DLBZAZTESA-N	247.426	4.554	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H](C)C2CCCCC2)CC1	2320413755	UWXYBZMCUXJCAA-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@]23C=C[C@@H](CC2)C3)C1	2321628386	RCJGFTYGSLESGN-KEYYUXOJSA-N	246.394	4.518	0	10	BJAE	
CC[C@]1(C23CC(CC(C)C)(C2)C3)CCCCCN1	2321638988	GSQZQLFHBJQIPG-OFLPRAFFSA-N	249.442	4.515	0	10	BJAE	
C=CCNC/C(C)=C/CC1=C(C)CCCC1(C)C	33906483	FZDADOUGQPJGIU-NTEUORMPSA-N	247.426	4.625	0	10	BJAE	
CCCCC[C@@H](NCC)c1ccc(CCC)cc1	35550330	LEBSZXBTLDOQQQ-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)c1ccc(C)c(C)c1	35572843	SHVQPIGYIXWGRD-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H](C)CC(C)(C)C)cc1C	36889619	IANYYCBEDVTPIU-BLLLJJGKSA-N	247.426	4.766	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)c1cccs1	71084824	LDBQGZWYFMKKQG-TZMCWYRMSA-N	240.412	4.562	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@@H]1CCCC(=O)C1	77397305	YFNBBNOVIHMSAY-CYBMUJFWSA-N	244.378	4.519	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CC[C@@H](C)C[C@@H]2C)c1	85085201	BRBAIHANFUOWGL-WPGHFRTFSA-N	231.383	4.540	0	10	BJAE	
CCc1cccc(O[C@@H]2CCC[C@@H](CC)C2)c1	85150991	MDKDLGHOBTUXDX-GDBMZVCRSA-N	232.367	4.597	0	10	BJAE	
CCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NCC	85157022	ROKYZZBARBFBAR-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@H]1CCC[C@H](C)CC1	86879742	XGCXITSNLIZRRX-IMJJTQAJSA-N	245.410	4.614	0	10	BJAE	
CCC[C@@H](N)c1cc2c(C(C)C)ccc(C)c2o1	88075526	YZCGJCUCCZNEQX-CQSZACIVSA-N	245.366	4.665	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@H]2CC=CCC2)CC1	88747972	VLDABCXIRHKXBM-OWCLPIDISA-N	249.442	4.680	0	10	BJAE	
CCC1CCC([C@@H]2C[C@H](CC)CCC2=O)CC1	93122793	WKPKQZPITYGJNP-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CN1c2ccccc2Sc2cc(Cl)ccc21	104832544	OVDUEDRSKNXRLW-UHFFFAOYSA-N	247.750	4.573	0	10	BJAE	
CCCCC[C@@H](N)c1c(Cl)cccc1Cl	125344768	MJKGAQQARGSARR-LLVKDONJSA-N	246.181	4.574	0	10	BJAE	
CC(C)/C=C(/CNC(C)(C)C)C1CCCCC1	125578922	JBQSQONBDLAFPZ-PTNGSMBKSA-N	237.431	4.537	0	10	BJAE	
CCCNCC(CC)(CC)CC(CC)CC	128411562	QXHCNBDFVOVIOE-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H](CC1CC1)NC1CCC2(CCCC2)CC1	129397312	MQVHBHRUBOHFPI-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCC(C)(C)C2)cc1C	131308492	PQHNVFXIENFDNN-GOEBONIOSA-N	245.410	4.533	0	10	BJAE	
CC[C@H](C)c1cccc(OCc2ccccc2)c1	149793871	JPQMUTDOUNURTN-AWEZNQCLSA-N	240.346	4.779	0	10	BJAE	
CCCCCC[C@H](NCC)c1cccc(C)c1C	158405866	HNKZLQLWBSWQHM-KRWDZBQOSA-N	247.426	4.924	0	10	BJAE	
CCCC[C@H](CC)C(=O)C1C[C@@H](C)C[C@H](C)C1	165985491	PNDKKSRNZXESAS-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1)c1cccc(F)c1	166414974	YSDWXLDBIIUPBE-MRXNPFEDSA-N	243.325	4.697	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)c2cccc(C3CCC3)c2)C1	168877486	GGPYVPWQVKLSKN-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
CC[C@H](C)c1ccc(Cl)c(Cl)c1	197063362	VXHOYXRMOOUWNP-ZETCQYMHSA-N	203.112	4.507	0	10	BJAE	
CCC[C@H](NC)C1CCC(C(C)(C)CC)CC1	211875243	BFMPDJRQHOWAFR-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)[C@H](CCC)c1ccccc1	212686383	QMOHCHJLNJXMFC-IAGOWNOFSA-N	247.426	4.739	0	10	BJAE	
CCCCn1c2ccsc2c2sccc21	222602180	BWHPFGAOPUJAAS-UHFFFAOYSA-N	235.377	4.718	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC)[C@@H]1CCCC[C@@H]1CC	225132994	HGSLHEMZFFPFDD-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H]1CCCC1(C)C	226786721	XEDWYEXOKFVVMS-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCCC1=CCCC1	228575431	SGIQQIDRJDOEHL-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)C1CCCCCC1	229150794	JTTFMOYYDLEHSO-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1N[C@H]1CCC12CCCCC2	230162590	HQUVNSOZVVQZLT-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
CCC(CC)[C@@H](C)Nc1ccc(C(C)(C)C)cn1	232868006	RVGDHCVHVMYIDI-GFCCVEGCSA-N	248.414	4.616	0	10	BJAE	
CCCC1CCC([C@H](NC)[C@@H](C)CCC)CC1	232901140	LZWZRDQHBBIHGM-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@@H](CNC(C)C)C1=CCCCC1	233346866	RWFQINDKGOVUBD-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2ccc(Cl)cc2)C1	235680225	PWPFCTDQWDIMSL-YPMHNXCESA-N	249.785	4.744	0	10	BJAE	
CC[C@H](C)OC(=O)Nc1ccccc1[C@@H](C)CC	242647551	CQTJOGFCUAXDQI-RYUDHWBXSA-N	249.354	4.547	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)CCCC(C)(C)C	300812815	FZCYPQYGIAHQOA-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
O=C(CCC1CCCCC1)CCC1CCCC1	304132682	ZRMBQPOQRXAKQM-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@H]1/C=C/CCCCC1	305913894	AMHMWTDSMRADCE-SNOKEQIZSA-N	243.394	4.535	0	10	BJAE	
CCc1cc(N[C@H](CC)c2ccco2)ccc1C	306002915	LEGHZMGQQMVLNF-OAHLLOKOSA-N	243.350	4.714	0	10	BJAE	
CCC(CC)[C@@H](C)NC[C@H](C)C1CCCCC1	310203044	BEXMZKXMBCJSPN-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(NC[C@H](C)C(C)(C)C)cc1	310317367	XUBVUQASEFCAKQ-ZDUSSCGKSA-N	233.399	4.904	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)[C@H](C)CC(C)C	310770047	SXNOLZQMUYWTOS-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CCC1(CN[C@H]2CCCCC23CCCC3)CCC1	310825569	CGDJNLZWKILVKP-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCc1ccc([C@@H](NC)C(C)(C)C(C)(C)C)cc1	311052105	ILEWKNDPSNZONT-OAHLLOKOSA-N	247.426	4.582	0	10	BJAE	
CC[C@@H]1CCC[C@](CCC(C)(C)C)(CNC)C1	317130583	GLMIKEKPDPJAPM-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@@]1(CCCC(C)C)CC[C@H](CC)C1	317402206	GWSJMGQKCHRALS-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)C1(CC(C)C)CCCC1	318736565	JUQFJXJUPSKBIR-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(N)CC(C)(C)CC(C)(C)C1	319627081	NKQCDXKHJMJWMC-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
CCC[C@](O)(CC1CCC(C)CC1)C1CCC1	322336776	AMFROSDIJSAQDB-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC/C=C\c1ccccc1	323665945	MXMZLRAGVMELGA-UBAGTECSSA-N	246.394	4.667	0	10	BJAE	
CCC(C)(CC)Nc1cc(C)c2ccccc2n1	380593645	DYOJIPMPKTWABM-UHFFFAOYSA-N	242.366	4.534	0	10	BJAE	
CCc1ccccc1[C@@H](N)CCCCCC(C)C	383419629	ZLIGMZKEMRXQMH-KRWDZBQOSA-N	247.426	4.855	0	10	BJAE	
N[C@H](CCC1=CCCCC1)c1ccc(Cl)cc1	384829100	DYRUGJHZKITQAW-OAHLLOKOSA-N	249.785	4.620	0	10	BJAE	
CC(C)C(C(C)C)[C@H](O)CCC1=CCCCC1	385015471	YVHGHFIREALFFA-OAHLLOKOSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cccc2ccccc12	385350976	PQIYBGDVLBMKNC-GUYCJALGSA-N	242.362	4.700	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2CCCC[C@@H]2C)c1	394878687	HEXPJNQEOXLSJN-DZGCQCFKSA-N	231.383	4.542	0	10	BJAE	
CCOc1c(Cl)cc2sccc2c1CC	396188246	JWLGPSQWUULTKZ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1sc2cccc(C)c2c1C(F)(F)F	396200547	QOHXMNKKICEWND-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCc1ccc2c(CC)c(CC)sc2c1	396208918	VPMNFFOPTMNHFF-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CCc1cc(C(F)F)c2scc(F)c2c1	396226424	XZRSQPQQYJIDRQ-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
COc1c(Cl)ccc2cc(C(F)F)sc12	396295482	UFMORAJMCZOESY-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
Cc1ccc2c(C(F)(F)F)c(S)sc2c1	396308890	SFXQSOYRLKVTKM-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CCC1)C(CC)CC	398645735	CKDVXSUWJYQFMV-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@H](C)C(C)(C)C	399163257	JGSLWBMOGLXGOG-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]([C@H](N)c1ccc(C(C)(C)C)cc1)C(C)(C)C	399182079	PAQRNRKRMJOOJM-DOMZBBRYSA-N	247.426	4.666	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@@H]1CC=CCC1	402344648	RQWUOTVQZCRXNW-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)C(=O)CCC(C)(C)C1CC1	405897834	RLTNHJQUMHMSBM-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@](C)(O)CCC(C)(C)C1CC1	405967022	RYTCIGHOXUWKKI-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1(CCC)CCC1	686925089	SZJFMYVBDUJVBL-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)c1ccc(NCCCC2CCC2)cc1	688407331	XBUZYTQITJAMOL-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H]1C[C@@H](C)[C@H]1C	690188849	JMQKYSQAEATJTM-XJKCOSOUSA-N	245.410	4.576	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@H]1CCC[C@H](C)C1	691190901	XPDYVXVPQUGNTP-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1ccc2sccc2c1	691863604	APYRNWPKWTZWSN-XHDPSFHLSA-N	247.407	4.727	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC2(CC2)C1)c1ccsc1	695710332	SHZSUESQMYEURY-ZIAGYGMSSA-N	249.423	4.512	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2CCCC3(CC3)C2)CC1	695917675	ONTQQBOHFSUCNN-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)CCC1(CNC2CC2)CCCC1	696676956	GDXWEJCXKUUEHA-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)Nc1cc(C(C)(C)C)ccn1	699604675	FAZXPELXJSTDSX-CHWSQXEVSA-N	248.414	4.616	0	10	BJAE	
CCCC[C@H](CC)NCC(C)(C)C(F)(F)CC	699673015	XAPJJHRFHBJLQL-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)c1coc2ccccc12	701128544	HTQBYQYJOLEOTK-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CCN[C@@H](c1csc(C)c1)C(C)(CC)CC	701136377	QDAFJFIJKXNFSB-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCC(C)(CC)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1N	701150705	YPYIPGXLSJFGBG-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@]1(CCCC(C)(C)C)CNC(C)(C)C	703350163	KRKCBCVXUIDWFB-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)CCC1CCCC1	704475471	WQXRKCRQCOGEHH-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(N[C@H]1CCCC(C)(C)CC1)C(C)C	704898036	TWGNNDFFBBLQMF-AWEZNQCLSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](N)(CC)C(C)(C)C	704930083	BIPCKJORQCYXMS-HIFRSBDPSA-N	227.436	4.747	0	10	BJAE	
CCCc1ccccc1N[C@@H](C1CCC1)C1CC1	705325890	RFRNRRPGRVXXAW-KRWDZBQOSA-N	243.394	4.630	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@H](C)CC(C)(C)C	708257841	SYQZKPAVHJOKIM-CHWSQXEVSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H](C)CC(C)C	709175170	HEMNPLJIXAMTLP-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](C[C@@H](CN)C1CCCCC1)CC(C)(C)C	709244902	RHLWQIZTPREMIR-ZFWWWQNUSA-N	239.447	4.604	0	10	BJAE	
CC(C)C1CCC(N[C@@H]2CCCC3(CC3)C2)CC1	709978940	NJHOOPYWRGWBNM-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C12CCC(CC1)CC2	710261115	FABPOZLDPAIKKD-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@H](O)c1cc(Cl)cs1)C(C)(C)C	710773314	PTNBVAATJPEZJT-WPRPVWTQSA-N	246.803	4.507	0	10	BJAE	
CCc1ccc([C@@H](O)C[C@H](CC)C(C)(C)C)cc1	711212615	VLEZNOWECBVMJR-HOTGVXAUSA-N	248.410	4.745	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@@H]1C[C@@H]1C1CC1	712947052	NIUMYYCLHURGEV-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
C=C/C=C\CC[C@@H](N)C1CCC(C(C)(C)C)CC1	713744635	JLGMYHBVFUADBP-KDSGZKNUSA-N	249.442	4.689	0	10	BJAE	
C(CCC1CC1)CN[C@@H]1CCCCC12CCCC2	716402643	YLRFFJXDROJGEU-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC(C)[C@H](C)S[C@@H]1CCCc2ccccc21	1188676065	CZNHXZRZWJZKEX-SWLSCSKDSA-N	234.408	4.842	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1ccc(F)c(C)c1	1474075457	KCONTXQNHRYMFI-IUODEOHRSA-N	247.357	4.538	0	10	BJAE	
CCCC[C@@H](C)[C@H](C)NCc1cc(C)cc(C)c1	1474640924	HFEVBNIBZGHKEU-CVEARBPZSA-N	247.426	4.608	0	10	BJAE	
CC(C)CCCN1CC(C)(C)Cc2ccccc21	1875655117	XEXFHTLUAWUYEW-UHFFFAOYSA-N	245.410	4.512	0	10	BJAE	
CCC(C)=CCc1cc2cc(Cl)ccc2o1	1900898334	NXOJQTPXFHBKRI-UHFFFAOYSA-N	234.726	4.985	0	10	BJAE	
CC(=CCc1cc(C)ns1)CCCC(C)C	1900903099	KVFYHNWPXUUUOB-UHFFFAOYSA-N	237.412	4.767	0	10	BJAE	
CCN[C@@H](CC)CC=C(C)CCCC(C)C	1900910459	LQLKANKYLJUBKI-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1ccc(F)c(Cl)c1	1901712863	YWHPXLPVDAOWPD-VHSXEESVSA-N	243.753	4.572	0	10	BJAE	
CC=C[C@H](C)Cc1ccc(CC(C)C)s1	1911828984	USSYQFITWYYXNC-LBPRGKRZSA-N	222.397	4.701	0	10	BJAE	
CC=C[C@H](C)Cc1ccc(C(C)C)cc1	1912049726	BZAZFYRSKDBTDZ-ZDUSSCGKSA-N	202.341	4.565	0	10	BJAE	
CCC(CC)CN[C@@H]1CCC2(CCCCC2)C1	1915856109	XARLXDZAVTWBGL-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@]1(CNCC(C)C)C=CCC1	1916378959	IKPYETRFQFEVOM-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCC2(CCCC2)C1	1916406420	OWJDIEONMDHSHW-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CC[C@](N)(c1ccc(C)cc1)[C@H](C)CCC(C)C	1920492047	SMOWFLLXJMUTKP-NVXWUHKLSA-N	247.426	4.631	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](N)CCCCCC1CC1	1924103659	CXHXDWAHNOYVSR-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(F)(F)CCC[C@@H]1C=CCCCC1	1925816254	FICMFDKDOIFVKR-GFCCVEGCSA-N	216.315	4.948	0	10	BJAE	
C1=C[C@@H](Cc2cccc3c2CCCC3)CCCC1	1925819865	NAKWEBLTLWPJLW-OAHLLOKOSA-N	240.390	4.854	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1926376815	VENLPOLZVQUOTM-BFJAYTPKSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)CN[C@@H](C)c1sccc1C	1936271736	UCWFUSILYIRNMS-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)[C@@H](C)CC(C)C	1939046350	JRINYTKZUMTDCB-DZGCQCFKSA-N	228.420	4.636	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3CC[C@H]32)c2sccc2c1	1941021471	JVNRYMVQDLNMTJ-RAIGVLPGSA-N	243.375	4.502	0	10	BJAE	
CC[C@@H](C(=O)c1ccccc1C(C)C)C(C)C	1941267405	RJKROZJKPAEMCE-CYBMUJFWSA-N	232.367	4.675	0	10	BJAE	
CCC[C@](N)(CCCC1CCC1)[C@H]1CC1(C)C	1941463575	IJDZFMAZONKWSC-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCCCCC2CC2)C1	1941590905	GIBDTUHQDHWIRX-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CN[C@@H](CCC1CCCC1)[C@H](C)CCC(C)C	1942653943	WDQICIVONCXUOI-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CCNCC1(C)CCCCCC1	1942800118	XDPYIXWHXMKCOP-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(O)CC(C)(C)CC2(CC2)C1	1943082530	RDCZXCDZJCUTSR-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
Cc1ccsc1C(=O)[C@]12CCCC[C@H]1CCC2	1944225321	YWIPLNPWKIRKTH-WFASDCNBSA-N	248.391	4.600	0	10	BJAE	
CCC(C)(C)C[C@H](O)C(C)(C)C1CCCCC1	1944618380	MOINXZINSOOTEY-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccccc1OC1C(C)(C)C1(C)C	1946163132	XYFMZDYJNBOQML-UHFFFAOYSA-N	232.367	4.623	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C[C@H](C)CC(C)(C)C	1948324068	VNXMRYDRNPUKAJ-IJEWVQPXSA-N	242.447	4.882	0	10	BJAE	
CCCN[C@H](CCC)CCC(C)(C)C(C)(F)F	1948846289	HVQVBCLNIHWJEK-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CC2(C)CCCC2)C1	1948979160	HFAXOGZEHGMRAQ-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CC1CC(C)(C)C1	1949735397	CMKCWNJHHMNGAQ-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1C[C@@H]2CCC[C@@H]2C1	1950297737	QPCFGIXUEKUTCU-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CCC=CC[C@H](CC)c1ccc(OCC)cc1	1951309133	VIGZLCKIITWABF-AWEZNQCLSA-N	232.367	4.935	0	10	BJAE	
CC1(C)CCC[C@@H](CNC(C)(C)C(C)(C)C)C1	1962979542	BKAYNIIWXJEOFT-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CC(N[C@@H](CC)c2ccccc2)C1	1968549414	JWRKINJOLNZNEH-PREGVCBESA-N	245.410	4.696	0	10	BJAE	
CC1CCC(CCN[C@H]2CCC3(CCC3)C2)CC1	1973788970	DGXKDAZDUYRPBQ-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCCc1nc(C(C)(C)C)cs1	1984609774	FRRCNEQQIKQPIZ-UHFFFAOYSA-N	237.412	4.730	0	10	BJAE	
CCCC[C@](N)(CC)CC1(C(C)C)CCC1	1989464743	ZWLCEQZQFHUXDG-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)CC(C)(C)C(C)C	1990093613	NAWBUYAPNOJNKO-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
Cc1ccccc1N[C@@H](C)C1(C)CCCCC1	1995987328	JOBIEUUNVPAFMV-AWEZNQCLSA-N	231.383	4.766	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H](C)C1CCC(C)CC1	1996553203	GATLEROJCHYJQK-LVDPKSTMSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@H]1CCC[C@H](CC)CC1	1997106075	RFXNOWVZPDQARR-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C(C)(C)C(C)(C)C)C1	2000144458	XDTCRJVXMKFLRM-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@@H]1CCC=CCCC1	2000505299	PUEOHQYAJMETGB-HZPDHXFCSA-N	237.431	4.668	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)CC1(C)CCC1	2001144904	RSHTYCIQHJHTAI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCC12CCC2)CC(C)(C)C	2001867218	XSUYEPCZICHUKW-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
Cc1ccccc1N[C@H](C)[C@@H]1CCC[C@H](C)C1	2002998410	KYVKNWKLXPAITG-NWANDNLSSA-N	231.383	4.622	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)CCC2CCC2)C1	2002999511	URAUCXOLMGMTKD-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@](C)(O)[C@H]1CCCC(C)(C)C1	2003003235	BVCRMDHYSXHQOX-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@]2(C)C=CCCC2)C1	2003323779	GGOFZGHLIJSOKX-IJEWVQPXSA-N	234.383	4.518	0	10	BJAE	
C[C@H](NCCCC1CCCCC1)C1(C)CCC1	2004832046	ABQZYMSHMQQYRZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@H]1C(=O)C1(C)CCCCCCC1	2004936532	ASGLXXDLBDXNTA-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@H]1CCC[C@@H]1C	2006757596	DRVXBNVTQWLVGB-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@H](CC)C(C)(C)C)C1	2007745966	FRSHOKWDWIDLGA-WUCCLRPBSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)CC[C@@H]1CC(C)(C)C	2009420686	QMQKSJWPOYKTLO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(CC[C@H]2CCCCCCCC[C@@H]2O)CC1	2009543603	HYBXFALMQPEECO-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCCC1CCC([C@H](N)CCC2(C)CC2)CC1	2009545126	WSONHHLJRAXHQY-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@]1(CNC(C)C)CCC[C@H]1C	2009620360	USWQBXICJAJKEO-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@]1(CC(CCC)CCC)CCCN1	2009767682	HLWRUJPKAXTMRN-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
Cc1cc(Cl)ccc1NCC1CC(=C2CC2)C1	2011082173	DRWOCXOSHDVEFX-UHFFFAOYSA-N	247.769	4.561	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@@H]1C)CC(C)(C)C	2011578447	ZKYOYJCITNGEQE-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C[C@@H](C)C(C)C	2015291103	PNJGTVVSFFASMF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H](C)CC(C)C)CCC1	2015645962	WCNZJPXOGINKBF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)C1(C)CCCC1	2016142635	AQBQNNREDYGSBL-CABCVRRESA-N	237.431	4.680	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@]2(C)C[C@H]2C)cc1	2016411640	NBVWYEFJMKAUPU-ZENOOKHLSA-N	232.367	4.625	0	10	BJAE	
CC1(C[C@H](N)C2(C(C)(C)C)CCC2)CCCC1	2017132472	FCUJWYVRCWRDMA-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C)C[C@@H](C)NC)CC1	2017732482	BHSHMYPTQTUSRX-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H]1CCNC2(CCCCC2)C1	2018645117	IMEBQYFJBYIMSK-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCN(C1CCCC1)[C@@H]1CCCC[C@H]1CC	2019199798	MJCVQGUKIBIVNO-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CCCN(C[C@@H](C)C(C)C)C1CCCCCC1	2020508303	QSFKTOFYRYUHMA-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CC1CCC(C)CC1	2023332860	QTBHCVNXFREDMU-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2CCCC(C)(C)C2)C1=O	2024103438	ZUSWSDLCPYRAKF-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@H](N)CC(C2CC2)C2CC2)CCCCC1	2027312895	AHNNHDSUGNOYAZ-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]([C@@](C)(F)c2cccc(N)c2)CC[C@H]1C	2027940184	MFDQGXCRTCPRAF-DSPQJCBJSA-N	249.373	4.526	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1CC[C@H]2C[C@@H]2CC1	2028965226	QSBSRGFVWWAPFS-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@@H](C)NCCC2(C)CCCCC2)o1	2033214237	HVZGPUKZLOVWKE-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@@H]2CCC(C)(C)C2)cc1	2033405485	ZXJPWULACRUZAW-CVEARBPZSA-N	245.410	4.636	0	10	BJAE	
CCc1occ(C)c1C(=O)C1CCC(CC)CC1	2035537278	AVCCVJZRUUSRHR-UHFFFAOYSA-N	248.366	4.550	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)c1ccc(C(C)C)cc1	2036376359	SNBHLUOQBFGQKT-WMLDXEAASA-N	247.426	4.666	0	10	BJAE	
N[C@@]1(C2=CCCCCCC2)CCCC[C@@H]1C1CC1	2037074277	ISKOXZNVHZCBPF-IAGOWNOFSA-N	247.426	4.565	0	10	BJAE	
N[C@@]1(C[C@H]2C=CCCC2)CCCCC12CCCC2	2037304657	GUGLXCUOBWRTHE-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
C[C@@H](c1ccc(N)cc1)[C@@H]1CCC2(CCCC2)C1	2037695102	QEMMLIFMQKTBHC-DZGCQCFKSA-N	243.394	4.733	0	10	BJAE	
CN[C@@H](CCCC1CCC1)CC12CCC(CC1)C2	2039417375	GPJHXKGACPWEJN-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)C12CCC(CC1)C2	2039861496	GAYHLSKLSIEOIY-TXOGFHGLSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1cc2cccc(C)c2o1	2040722656	ALHUTQWLMNAOMI-OAHLLOKOSA-N	245.366	4.567	0	10	BJAE	
NC1(C[C@H]2CCC=CCCC2)CCC2(CC1)CC2	2045308510	UVCFDXQRPUVKPV-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@@H]2CCC=CCCC2)C1	2045309248	ZIGVSYDZFKERSS-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
Cc1cc(C)cc(N(C)CCC[C@@H]2CC2(C)C)c1	2046570718	LBGVFXLMGFMDKA-OAHLLOKOSA-N	245.410	4.566	0	10	BJAE	
CC(C)=C(C)CCN1c2ccccc2CC[C@H]1C	2046577903	VRMIEZASDFZBKS-OAHLLOKOSA-N	243.394	4.574	0	10	BJAE	
CC(C)c1cccc(NC[C@]2(C)CC=CCC2)c1	2047725530	DIVRPFAPLPLLJQ-QGZVFWFLSA-N	243.394	4.968	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@@H]1[C@H]2CCCCC[C@H]21	2049210593	CPWTYEIDNRRBJO-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@H]1CCCC2(CC2)C1	2049862349	FPYOHXXGWVKNTA-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@@](N)(C[C@H]1CCCC2(CC2)C1)C1CCCCC1	2049864335	IYIQJIDERFNQJA-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC1CCC2(CC1)CC2	2049950554	IGCUYXYEHWBWFO-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@H]2CCC[C@H](C)C2)c1	2050456512	RFLLMJZDOPNMQH-ZFWWWQNUSA-N	244.378	4.784	0	10	BJAE	
C[C@H]1CC[C@H](N2CCCC3(CCCCC3)CC2)C1	2051603864	DIGNRWIVBURCEP-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CC[C@H](NC[C@@H]2CCCCC23CCC3)C1	2053435546	DJJUDVFUNRMYSV-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)CC[C@H]1C[C@H]1C=CCC1	2059003013	KETFZLSZOZTGTH-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC=CCCCN[C@H]1CCCCC12CCCCC2	2059226398	YXZMXHQOLJJISY-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CC=C([C@]2(O)CCC3(CCCCC3)C2)CC1	2060916971	AGHCDVDAKUZJKK-YOEHRIQHSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC=C([C@H](NC)C2CC(C)(CC)C2)CC1	2061149418	CPHJJGFNPMBZMS-PXZKZTPFSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)C2CC3(C2)CC(C)(C)C3)C1	2063819031	XYZLDPNINHAJQF-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CCC(N[C@H](C)C2CC3(CC3)C2)CC1	2064496944	FUHWWCYFEFBKFU-IUDNXUCKSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cc(C)ccc1OC	2065991684	ZTDZNEHBEIARJS-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@]23CCC[C@@H]2C3)CC1	2070966609	JGULHNGRPPWQBE-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
CCN(CC1(C(C)C)CCC1)c1ccc(C)cc1	2071916892	FAGPCMQLSNNMHV-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
C=C=CC[C@@H](CC1(C(C)(C)C)CCC1)NCCC	2071946090	MNQLUZLJSQPKAX-HNNXBMFYSA-N	249.442	4.692	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(C2(C)CC2)cc1	2072825346	VBMCJMWXDWUSMH-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)[C@H]1CCCC2(CC2)C1	2073784795	ZBWSKDRCZYFBQP-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
NCC1(C[C@]23CCCC[C@H]2C3)CCCCCCC1	2074028986	KTOZVMABGDPVRX-DOTOQJQBSA-N	249.442	4.646	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@@H]1CCC2(CC2)C1	2074634271	OMSNKZLMADTWBN-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCCN(CC1CC(=C2CC2)C1)C1CCCC1	2076588550	ZISJLMVGTKNVBO-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
Cc1c(F)cccc1C(=O)C1(C(C)(C)C)CCC1	2077849455	PQCYIYYSBYBFLS-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H]1C[C@@H]1C1CCCCC1	2079434142	FDGXSGWKTIDWEQ-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@H]2C2CCCCC2)CCCC1	2079852558	RFSBYKQXWHTBHF-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H]1C[C@@H]2CC[C@@H]2C1	2081785421	LKJNYBUBHRCUPD-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)C1	2082988901	XKWWFTWNOCRYAI-TUVASFSCSA-N	248.410	4.598	0	10	BJAE	
CCC1C[C@@H]2CC[C@H](C1)N2[C@@H]1CCCC[C@@H]1CC	2084423756	ABXAQXKJYQTQFJ-LMBMLGAESA-N	249.442	4.608	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H](C)c2cc(C)cc(C)c2)C1	2085252316	NEPHHPVCMLHYHC-ZMSDIMECSA-N	245.410	4.533	0	10	BJAE	
FC1(F)CC[C@@H](CC=Cc2ccccc2)C1	2210662334	MTJXMLARRUJMSQ-CYBMUJFWSA-N	222.278	4.525	0	10	BJAE	
CC(C)=CCc1cccc(C(F)(F)F)c1C	2211287986	FPITURCWIFUOJK-UHFFFAOYSA-N	228.257	4.523	0	10	BJAE	
CC(C)=CCCN(C)CCCCCCC1CC1	2213537049	PGDVZJOQILHNJJ-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C1(C)CCC1	2214580327	LNWWRGIWVIBNTA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCCn1c(C)cc2cc(Cl)ccc21	2214998888	GGAIYKKNYPMBSP-UHFFFAOYSA-N	247.769	4.959	0	10	BJAE	
C[C@H]1C[C@@H]1CCC1(N)CCCCCCCCC1	2215251561	OMNSVIZGZDTXKE-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CC[C@@H]1C[C@H]1CC	2215366568	XOIMVMYKLAFVKX-OAGGEKHMSA-N	239.447	4.569	0	10	BJAE	
N[C@H]1CCCC[C@H]1CCCCCCCC1CC1	2216879789	NFQPEQWCQMCPKY-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CC[C@@](N)(CC1C[C@H]2CCC[C@H](C1)C2)C1CCC1	2218355428	BZFJZLSOVLILDW-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CN[C@H]([C@@H]1CCC[C@@H](C)C1)[C@]1(C)CC=C(C)CC1	2221622205	HKNNRMRXIWYVMG-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2221632385	QLBRMQVVNAJTRV-BIVLZKPYSA-N	249.442	4.523	0	10	BJAE	
C(CCCC1CC1)CCCN1CC2(CCCC2)C1	2223124900	YXGCSTMFFRVEHG-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCC[C@](O)(CC)CC[C@H]1CCC[C@@H](C)C1	2242790277	IRKGJVSIVCCHLE-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CCC1CCCCC1	2244787007	YOFDUMYTOKCQKD-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
C1=C(CC2C3CC4CC(C3)CC2C4)CCC1	2245912603	DCQAYZCOSGPDDI-UHFFFAOYSA-N	216.368	4.559	0	10	BJAE	
CCC(CC)CC(=O)CC[C@@H]1CCC[C@H](C)C1	2246659158	GOTKHXHGRQQFTJ-ZFWWWQNUSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCC[C@H](O)C2)C1	2246663635	GDIBVGQPQKLSBA-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC[C@@H](O)C2CCCC2)C1	2246670728	WJQVYUQIMJLFEG-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)CC1CCCCCC1	2247400800	SECBKULMYTXBKX-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@@H](N)CC[C@H]1CCCC12CC2	2247621930	LWDLMVRNINBBDI-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CCC2(C)C)c1	2249259901	STDVLRHMJLORRW-CQSZACIVSA-N	231.383	4.585	0	10	BJAE	
C[C@H](Nc1cccc(C(C)(C)C)c1)C(C)(C)C	2249260766	WIXVTIIVUSKKOV-LBPRGKRZSA-N	233.399	4.831	0	10	BJAE	
CC(C)c1ccccc1NC1CCC=CCC1	2249286089	VQYUSUNFDWIUIZ-UHFFFAOYSA-N	229.367	4.721	0	10	BJAE	
CC[C@H](Nc1cc(C)c(C)c(C)c1)C1CCC1	2249491151	NWYZUKQNPFOKTP-INIZCTEOSA-N	231.383	4.602	0	10	BJAE	
CCC[C@@H](CC)CNCCC1(C)CCCCC1	2250382370	DDSXHZNNGUBQTC-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCC1(N(C)CC[C@@H](C)CCCC(C)C)CC1	2250476257	NWALMZDZFMHOIK-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@]12CCC[C@H]1CC2	2251149165	KEHPHUBKKYPUCS-DZKIICNBSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@H](C[C@]12CCC[C@@H]1CC2)NC	2251157515	ISIZKWGHJCQYIH-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](C[C@]12CCCC[C@@H]1CC2)NC	2251162178	JSAPGRFJWHZDGY-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC[C@@]12CCC[C@H]1CC2)NCC	2251191042	ZARZRBFFPXLKOQ-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCCN1CC[C@@H]1CCCCC12CC2	2253869171	VMYDZYSWMYXRRB-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)c1cc(CNCC)cc(C(C)C)c1	2254727080	RXFKJKKFEWLDJV-UHFFFAOYSA-N	245.410	4.733	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)CC[C@H]1CCCC12CC2	2255270570	YSNSRUPOQFMIEF-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CCC(=O)C[C@@H]1CCCC12CC2)C1CC1	2255322157	CXFNZYDJIVPAGK-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(F)c1N[C@H](C)C1CC(C)(C)C1	2256140944	DODDEMVWEGLCHA-LLVKDONJSA-N	249.373	4.625	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1CCC12CCC2	2257245252	IKDJONRVKMCTEW-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@@]2(C)CC2(C)C)c1	2257961315	LNIVNOHQTSFPFV-QGZVFWFLSA-N	245.410	4.832	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)C1(C(C)C)CCC1)C2	2259567671	VTLPCIUAWOGONM-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)C[C@]12CCCC[C@@H]1CC2	2260675010	XBIYIHAQAOBZIJ-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](O)(CC[C@@H]1C[C@@H]1CC)C1CCCC1	2298125628	PLFQBXZALYVCCT-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)[C@H](C)CC1CC1	2298916019	LGTGHLAIDZOMTB-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@H]1CCC2(CC2)C1	2300496887	PBCUJBPBENWMRB-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@H]1CCC12CCC2	2300504400	ZFBMTHSXYAXLEZ-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1C(C)=CCC[C@H]1C	2300684685	WVRTVHYMEIWUID-VNQPRFMTSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)CCN(CC(C)C)C(CC)CC	2300688089	KDCDQLAMYPCSEI-UHFFFAOYSA-N	241.463	4.959	0	10	BJAE	
CC[C@@H](NCC=C(C)CCCC(C)C)C1CC1	2300869324	HIOKVHCSZNWYIQ-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@H]1C[C@@H](C(C)(C)C)CCC1=O	2300893183	OGCMMBBOFYCQTH-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
CC(C)=CCCCc1ccc(F)cc1C1CC1	2301285585	RCNSDWSJEWCGEN-UHFFFAOYSA-N	232.342	4.992	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)c1ccccc1Cl	2301370624	ZKSHAJDHNAMISU-LBPRGKRZSA-N	245.753	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@H]1CC(C)(C)[C@@H]1C	2302169180	JXKOCJBWQCLTCK-MCIONIFRSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)CCCCC2CC2)C1	2302578284	YEHVDKJHAYWTAC-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)CCC2(C)CC2)C1	2304438789	FGMUOHHYICBHFK-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1Oc1ccc2ccccc2c1Cl	2307637914	BPUYLVHBQXJRJK-RTUWITSCSA-N	246.737	4.526	0	10	BJAE	
C/C=C/CCCc1ccccc1OC(C)(C)C	2307641669	HTAZWGPOIIKROS-AATRIKPKSA-N	232.367	4.763	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1CCCC12CCC2	2307756099	KRHPFOBFNJVLLW-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)C(C(C)C)C(C)C	2307825885	GKPYNLLYLBJSJA-GOEBONIOSA-N	241.463	4.848	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1CCCCC1(C)C	2307925864	KNPRQRHKQANJRD-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](CC[C@@]12CCC[C@@H]1C2)CC1CCCC1	2310375346	VTZXHGRHZHHZDU-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CCC)[C@@H]1CC=CCC1	2311564638	GMEHQDLTOUUCIG-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@@H]1C[C@H]2CC[C@@H]1C2	2313198173	GBMHUSNCQUZGFG-FZKCQIBNSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CCC1)N(C)[C@H]1CCC2(CCCC2)C1	2313648516	QCLOWZLRAKFBIG-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CCC(CC)CC[C@@](O)(CC)Cc1ccccc1	2316248321	OBPFULJJPHMZTF-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
CC(=CCNCC1CC2(CC2)C1)CCCC(C)C	2316487567	CIYDWCOUVVGUFA-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
O=C(C1CCCCCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316752764	QYTBGFCWKCYBLC-DZKIICNBSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)[C@@]12CCC[C@@H]1C2	2316876187	SNTLJQJUGHGDIJ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCC[C@H]1C[C@H]1C[C@H]2CCC[C@H]1CC2	2316883718	IZCXUEILIUCZHQ-YHUYYLMFSA-N	248.410	4.742	0	10	BJAE	
CCCC1CC(N)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316885469	QRFMINDUMVLYDY-LQWAEYHHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)CC(=O)CC(C)(C)Cc1ccccc1	2317287994	FTYUFYZCEVOWHV-CQSZACIVSA-N	246.394	4.651	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)C2(C3CC3)CCCC2)C1	2319035135	STVMJFPCIGEDBP-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
C=C=CC[C@H](C[C@H]1CC[C@@H]1C(C)(C)C)NCCC	2320256796	DOIJTLAUCZRBCB-OAGGEKHMSA-N	249.442	4.548	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2C[C@@H]2C(C)(C)C)CC1	2320413285	MXRJBVQWXGLPGZ-ILXRZTDVSA-N	248.410	4.764	0	10	BJAE	
CCC1(C)CC(O)(c2cc(C)ccc2C(C)C)C1	2327701210	KDFALSCXNGPHAB-UHFFFAOYSA-N	246.394	4.516	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1csc2ccccc12	35499575	VXRZDPFHJMNWNU-NHYWBVRUSA-N	247.407	4.598	0	10	BJAE	
CC[C@H](C)Nc1ccc(-c2ccccc2)cc1	37056991	MVFMXSZWDYWJBJ-ZDUSSCGKSA-N	225.335	4.564	0	10	BJAE	
CC(C)C[C@@H](C)N[C@H]1CCCC[C@@H]1C(C)(C)C	37118165	JZPVFSABQIUKGT-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c(C)c1	68610949	JBSUEXFDJKSSNX-IVMMDQJWSA-N	231.383	4.540	0	10	BJAE	
CCc1ccc(CC)c([C@@H](NC)C(CC)CC)c1	70440684	BULQCDDYRIFQBU-KRWDZBQOSA-N	247.426	4.508	0	10	BJAE	
CSc1cccc(N[C@@H]2CCC[C@@H](C)CC2)c1	86878108	GTYRWDIYFRCKQC-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C(CC)CC)CC1	87169129	BDNZQMVNYASPKJ-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](NCCC)c1cc(C)c(C)cc1C	93073881	AKXLWKPPPRPKEA-QGZVFWFLSA-N	247.426	4.843	0	10	BJAE	
CCCC(CCC)N[C@H](C)c1ccc(C)cc1	103982050	HVRZYJFTEZVMRL-CQSZACIVSA-N	233.399	4.614	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C)c1ccc(C)cc1C	109902396	PYFQLXKDMYOQOF-HUUCEWRRSA-N	233.399	4.533	0	10	BJAE	
CCC[C@@H](C)CC1(CNC(C)(C)C)CCCC1	110201894	HFULCJAIIGOBSA-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](NC1CCCCCC1)c1ccccc1F	122471658	IZWYZRMYMXXLAR-INIZCTEOSA-N	249.373	4.589	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@H](C)C2CCCCC2)C1	149427022	LFYRDYJSWYAASU-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](NC)c1ccccc1C(C)(C)C	159714696	XYFGFMNBNYKLBQ-INIZCTEOSA-N	247.426	4.825	0	10	BJAE	
CC(C)c1ccc([C@H](C)NCCCC2CC2)cc1	161470997	SORYQLDYMSSKFY-AWEZNQCLSA-N	245.410	4.651	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1cc(C)ccc1C	165764858	ZCUSOOJHVGJATE-LSDHHAIUSA-N	244.378	4.703	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@@H]1CCCC[C@@H]1CC	166800435	JACMZNUUNGHZKN-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@@H]1CCCC[C@@H]1CC	166918529	DCDFTZGFERXPNJ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H]1CCCCC[C@@H]1CNC(C)C	233338917	GHRHRTMGBJQRIO-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](Oc2cccc(Cl)c2)C[C@H]1C	251761257	KFQATFYKUBJJBY-GYSYKLTISA-N	238.758	4.544	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CCC[C@H](C)C2)C1	251800593	YEKMKDASFUDEHD-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
C1CCCC[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2CCC1	263590097	XMYHOVWXGDEUKH-BYNSBNAKSA-N	206.373	4.783	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cccc(CC(C)C)c1	302297147	DMKNPZORMMQPMZ-AWEZNQCLSA-N	246.394	4.894	0	10	BJAE	
CCCCCC[C@H](NCC)C(C(C)C)C(C)C	306078488	BMNNHRJPDRFSLR-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCc1cc2c(SC)csc2cc1Cl	307208259	KBNIBLCZEKMYPC-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1c(Cl)sc2ccc(SC)cc12	307464194	HSTQQLSSWXRMDK-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)c1csc(C)c1	308020700	JODHWKOKROSTTD-TZMCWYRMSA-N	240.412	4.552	0	10	BJAE	
Clc1cccc(-c2cccc3ccoc23)c1	309381332	YHFQLVLEXAEQOB-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2C=CCCCCC2)c1	310060633	FSNQFFGIGYHFOL-OAHLLOKOSA-N	229.367	4.604	0	10	BJAE	
CSc1ccc(N[C@H]2C=CCCCCC2)cc1	310069176	YKGDFSGLRSIWLO-ZDUSSCGKSA-N	247.407	4.709	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CCC(C)(C)C	310434119	NZSXOIHIYJJCQY-HNNXBMFYSA-N	233.399	4.636	0	10	BJAE	
CCCOc1ccccc1NC[C@@H](C)C(C)(C)C	310722307	RSBMCZUPBADWCP-CYBMUJFWSA-N	249.398	4.570	0	10	BJAE	
CCN[C@H](CC1CCC1)c1ccccc1C(C)C	311203301	INWWFVSAKZAONT-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC(C)(C)C)CC[C@H](C)C1	318037855	QNCHPHZQDOTFDQ-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(NC[C@@H](C)C2CCCCC2)c1	379895554	HARXMOUXCHUQQQ-CQSZACIVSA-N	231.383	4.623	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2(C)CCCC2)C1	380164751	VSNFJTROJPUXHG-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H](C)C2CCCCC2)cc1	380923652	COOPDNZLLDCJQU-CQSZACIVSA-N	244.378	4.784	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1CCC[C@@H](C)C1	381412020	TUWGIJBXNRGZMH-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](CC(C)C)CC1CCC(C)(C)CC1	383690420	QKCHFHNPUBJTOD-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C)c1ccc(C2=CC[C@@H](C)CC2)cc1	384987738	PDSYNAXALTUMMB-KGLIPLIRSA-N	243.394	4.561	0	10	BJAE	
C1CCCC([C@H]2NC[C@@H]2C2CCCCC2)CCC1	385111141	CWGIGUNPJVNWOM-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](O)CCCCCC(C)C)cc1C	394866936	PRPOFMVGZYGROF-QGZVFWFLSA-N	248.410	4.943	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@H]1CCCC12CCC2	394879823	ZNICHEPAOBILII-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
Cc1csc2ccc(C(F)(F)F)c(C)c12	396192193	FCCNFZZAUYSCBB-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCOc1c(C)cc2ccsc2c1C(F)F	396233751	CJXBHRRIWKJETE-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@@H](C)C(C)(C)C	399237176	CRZBFGKFKMRAER-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNCCCC(C)(C)C	401608575	HOOSZKWCKFIMEO-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
c1cc2c(cc1NCCC1CCC1)CCCCC2	404523757	RJRYEPVLURXVQB-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCCC(C)(C)CC	686303489	PVYLBUIVKZLIIN-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc(NC[C@H](C)CC(F)F)cc1	688767187	FJACYACGWIGMRP-LLVKDONJSA-N	241.325	4.513	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)c1cccc(C(C)C)c1	688931175	RQGUKAQJPDQDOW-JKSUJKDBSA-N	244.378	4.675	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@H]1CC[C@@H](C)C1	688941090	VYLIXJWLLGGXNY-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CCC1CCCC1	691189688	UWKRIURLXPESDT-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CCCCCC1(CNCCC)CC2(CCC2)C1	691486763	GLINMQOTLXDDJB-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC3CCC2CC3)cc1C	691725400	YOJFXVHZTOUJSD-GPANFISMSA-N	243.394	4.542	0	10	BJAE	
CC(C)Oc1cccc(C(C)C)c1C(C)C	694959232	IYKGWMOBMFOAJZ-UHFFFAOYSA-N	220.356	4.721	0	10	BJAE	
CC[C@@H](N[C@@H](C)C(C)(C)CC)c1ccc(C)cc1	695101847	XKZPSOXUBYCASA-GOEBONIOSA-N	247.426	4.860	0	10	BJAE	
Cc1cc(N[C@H](C)C(C)(C)C)cc(C)c1Cl	695658107	ZWWBHWIAEQEERN-LLVKDONJSA-N	239.790	4.803	0	10	BJAE	
C1CCCC(CCNC2CCC3(CC2)CC3)CC1	695682714	HPMIUMQUBSPDGB-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC(C)(C)CCNc1ccc(C)c(Cl)c1	696748103	AJEZQAQYHCVDRT-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC)CCC(C)(C)CC	696800144	RVXSQDIANOLQPM-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](CC)(CN)CCC(C)(C)CC	696808521	XYYJKLYDSPBZAX-HNNXBMFYSA-N	227.436	4.748	0	10	BJAE	
CC(C)=CCCCc1ccc(Cl)cc1F	698106274	ZVINNQOEDFCWJN-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
CCC(C)(C)C(=O)c1cc2cscc2s1	701270263	QRWIDHJEQOVBBK-UHFFFAOYSA-N	238.377	4.582	0	10	BJAE	
Cc1c(Cl)cccc1OCC1(C)CCCC1	702648660	HTWXQUBKPGVIJZ-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@]2(N)CCCCC23CCCC3)C1	704489216	QBSSBTGEFUASQB-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@H](C)CC(C)C	709144355	SFSCYXNTNXJHGZ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)[C@H](C)C(C)(C)C	711120238	KUQGKRXOBRHWGC-MELADBBJSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](C(=O)C[C@H](C)C(C)(C)C)c1ccccc1	711142751	COMWUCQSZCQZSJ-DZGCQCFKSA-N	246.394	4.822	0	10	BJAE	
CC[C@@H](N[C@H](C1CCCC1)C1CCC1)C1CCC1	711864291	PWZHBEWCLSZJHI-IAGOWNOFSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC(C)(C)C)CC1(C)C	713165381	GUTFFQVTEQWELN-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@H]1CCCC1(F)F	713934685	GGPPVSKGCLPVEZ-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
CC(C)c1ccc(OCC[C@@H]2C[C@@H]2C2CC2)cc1	714778058	HVMDXUUDHGTJRJ-NVXWUHKLSA-N	244.378	4.625	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CCC(C)=C(C)C	718490053	AWUDWUNEALQAPT-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCC1CCC(NCCC(C)=C(C)C)CC1	718516550	BUXNIIDIQQJULD-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](CC)N[C@H]1CCCCCC1(C)C	719241133	USHZVWBJIIKBQW-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCC(C)(CC)[C@@H](CC1CCC(C)CC1)NC	721654302	HSQUZBDKYZGDSO-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)c1cccc(C(F)F)c1	721758065	JBUMCMBCJCMJGG-UHFFFAOYSA-N	240.293	4.633	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CC2)C1(C)CCCCC1	722629758	CTTNZAAJLLVOET-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1NCCC1CC=CC1	724190714	AMBIVSVTSIIOJY-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
CC1(c2ccc(-c3ccc(F)cc3)cc2)CC1	757569692	WBLZXYMSDSNZGP-UHFFFAOYSA-N	226.294	4.544	0	10	BJAE	
C=C/C=C/CCS[C@H](C)c1ccc(OC)cc1	1458922747	QLXDJRLNCRABGW-URWSZGRFSA-N	248.391	4.622	0	10	BJAE	
CCC(CC)(CC)S[C@@H]1CC[C@H](C)C1	1613708042	GCPLCLQEHIZZOM-NWDGAFQWSA-N	214.418	4.877	0	10	BJAE	
C1=CCC[C@H](CNCCC2CCCCC2)CCC1	1659074081	WPTKDYQDQDKPTQ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H](NCC1(C2CCC2)CC1)C1CCCC1	1875410754	IRVYHKIDZAVTDB-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@H](N)C[C@@H](C)C(C)(C)C	1900695101	FEFKEBFDNFMBFM-OCCSQVGLSA-N	227.436	4.602	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@H](CC)CC(C)C	1900700452	IXXJINIFHRMCIT-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
Cc1cc(-c2cccc(CC(C)C)c2)cs1	1901896906	UZAVZNVYTFTUQH-UHFFFAOYSA-N	230.376	4.922	0	10	BJAE	
CCc1cscc1N[C@H](C)CCC(C)(C)C	1902391470	UODXGOMMSOWODF-LLVKDONJSA-N	239.428	4.937	0	10	BJAE	
CCc1cscc1N[C@@H](C)[C@@H](C)CC(C)C	1902391625	VXVISNBSNDLAOV-RYUDHWBXSA-N	239.428	4.793	0	10	BJAE	
CCCC[C@H](CCCC[C@@H]1C[C@H]1C)NCCC	1908552360	NPWWVMUCZWOBSA-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@](N)(CCC[C@@H]1C[C@@H]1C)C1CCCCC1	1908573875	ZULDDEUTSAIPPX-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(F)cc1NC1CC2(CCCCC2)C1	1912710950	NPMDAIOAMDKBON-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CN[C@@H]1CCCCCCCC[C@@H]1CCC(C)C	1913392827	OBEPDDTYOUHYHU-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CCC(C)(C)C1CC1	1919936584	BXYLABQDPNBBJL-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H](C)c1ccccc1	1919942919	HJPUQHFOWPKKBL-DOTOQJQBSA-N	248.410	4.902	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)[C@H]1CCCC12CCC2	1921587527	WWOVBIRONBPMDS-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H](C)C1CCCC1	1924128086	YJNCYHKRLLDVDX-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C=CCCCC1)C1CCCCC1	1925738734	XOGHFXRZMAUDOP-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
Cc1cc(F)ccc1CC[C@@H]1C=CCCCC1	1925835103	OORWYRYEQVTLLP-CQSZACIVSA-N	232.342	4.813	0	10	BJAE	
CCC(CC)C[C@H](O)Cc1ccc(C(C)C)cc1	1926380271	SAKRBJGYSXSANQ-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1cscc1Cl	1928721746	QFXQMBREBJSCKW-JOYOIKCWSA-N	246.803	4.507	0	10	BJAE	
CC1(C[C@@H](O)C(C)(C)C2CCC2)CCCCC1	1940415988	PEBBMYRODRLREG-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@H](CC)C(C)C	1941272512	LIXYYFJHXZKWAA-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(N)CCC1CCC1	1941460116	VPDORGANRJTHBU-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CNC(C)(C)C)[C@@H](C)CCC(C)C	1942656519	MEZQGISUXKIHJC-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@]12CCCC[C@@H]1CCC2	1944225448	ZSGSPNANIHQCON-LZWOXQAQSA-N	236.399	4.742	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)C(C)(C)C1CCCC1	1944611267	UNGHMNTXDIHFMB-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
CN[C@@H](CCC(C)C)C(C)(C)C1CCCCC1	1944660061	FDIAMCSQSALKRF-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C[C@H]1CC1(C)C)NC	1944749233	HBTGEQHJIIRKOU-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H]1CCC[C@@H]1C	1944797318	NTTBCIXRNKQBNS-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)C(C)(C)CC	1944842520	KPGSTQNMHNPZFI-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCC[C@@H](F)C1	1946957978	FYNUWZNGZSLZPN-UONOGXRCSA-N	242.378	4.690	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)C[C@@H]1CCC[C@H](C)C1	1947514152	CQQUTNBCQZWOJN-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C(CCC)CCC)C1CC(C)C1	1948155421	LRMPFMNBNSFGHS-AVVWSFFYSA-N	239.447	4.617	0	10	BJAE	
CCCNCC1(CCC(C)C)CC(C)(CC)C1	1948413138	MVMCUAFIKZUJAB-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948587884	UYINASQFBQYVMP-ARFHVFGLSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@H]1CCCC[C@@H]1CC	1948860559	CENAQMTXOTWECL-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)CCCC(C)(C)C)C1	1948980128	HZZUYNKZUPFDFI-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H](C)C2CCC2)CC1	1949040839	WWCWDQPKLOWYMM-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@H](N)CCCCCC1CC1	1949080429	QDHYZGNBKVFMCN-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](O)CC1CC2(CCC2)C1	1949840960	JWGUARSVIGNKLZ-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@@H](O)[C@H]1CCC[C@@H](C)CC1)C(C)(C)C	1950907635	GIZUPQMGUQZTES-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCC[C@@H](C(C)C)CC1	1962920164	AYHDJQJBWRUONM-HZPDHXFCSA-N	239.447	4.569	0	10	BJAE	
CCCC1CCC(CNC(C)(CC)CC)CC1	1963217554	ZGPMSRJULMORQL-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CN1CCCCC12CCC2)C1CCCCC1	1966232630	SOSPGISYAZHSCI-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCCCC12CCC2	1968312900	SCIOGAHNDPCNHE-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CCc1cccc(N[C@@H]2CCCC3(CCC3)C2)c1	1968340514	ZIEHFAZXQIPFBU-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CC[C@H](N[C@@H](C)C1CC2(CCC2)C1)C1CCCC1	1970935236	VMYOOWVZRCFTCU-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CCN[C@@H]1CCCC12CCCCC2	1973005022	ZPPUIXWNSJKDML-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1CC[C@H](C)C1	1975746930	FOCKSBPGVHQLFC-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)C(C)(C)CCC	1976010084	HBZIJPLURHHSIF-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)C(CC)(CC)CC	1978540233	MEGBAPQHHASTRQ-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(CC)C[C@H](N)c1ccc(Cl)cc1	1980689378	HHHYHCANLAMCDG-ZDUSSCGKSA-N	239.790	4.556	0	10	BJAE	
CCCC(CCC)CNc1ccccc1C	1981292284	QISRUQSKKVXWKZ-UHFFFAOYSA-N	219.372	4.623	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1sc(C)cc1C	1985609055	JIIYPPAXCRRGFQ-CYBMUJFWSA-N	239.428	4.581	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(Cl)c(F)c1	1989823092	BLEQRMYBNGNUCU-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
Fc1ccc(Cl)cc1CC1CC(=C2CC2)C1	1994338401	PIZSNYYWRPYJRE-UHFFFAOYSA-N	236.717	4.522	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@H]1CC[C@@H](C)C1	1996261408	VVZLZVWPYCEDQQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C2(C)CCCCCC2)C1	2000219696	XCSJIHYHPQOBGA-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
O=C1CCCCCC[C@H]1CCCCCC1CC1	2003119835	WUXOMLZMCPEVSI-HNNXBMFYSA-N	236.399	4.886	0	10	BJAE	
O=C(CC[C@@H]1C=CCCC1)c1ccc(Cl)cc1	2003670744	JUYXJLDMAHLURT-GFCCVEGCSA-N	248.753	4.659	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@H]3CC[C@H]32)c1Cl	2004797491	OEUYSOGFCRUDCF-YNEHKIRRSA-N	249.785	4.639	0	10	BJAE	
C[C@H](CC(=O)C1(C)CCCCCC1)C1CCC1	2004942793	WZCQIMCEKKXLGL-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC[C@]1(CO)CCCC12CCC2	2005573608	RIRIXHGLFXFQQX-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CO)CCCC1(C)C	2005576028	IJTDLVQCOBDGRG-ZBFHGGJFSA-N	240.431	4.782	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)C(CCC)CCC	2005751981	CQLWELXJQAVAHO-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCc1csc(C2(C)CCC3(CC3)CC2)n1	2007698221	SDTHABDDVPZNDB-UHFFFAOYSA-N	249.423	4.708	0	10	BJAE	
CCC[C@@](N)(CC1CC(CC)C1)C1CCCC1	2007749464	NJABVFVURQKVEY-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCC1CC(CNc2ccccc2C(C)C)C1	2007799320	PSYDHMWMWTZHES-UHFFFAOYSA-N	231.383	4.658	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1C[C@@H]1CCC=CCCC1	2009245354	ZVVXPOZACFWAKI-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCC(C)(C)CC[C@H]1O	2009420692	QNNQQXCFJYEHSF-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C(C)(C)C(C)(C)C	2009545347	YUUQGBCONWWQCD-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H](C)C1CCCC1	2009616164	GMTFYVNFFCDQOY-CXFYGJIZSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)CNC(CC)(CC)C(F)F	2009704362	QYIFYSVSOKWIBM-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@H]1CCC[C@@H](C)C1	2013265157	UETXDOHUSFZXTM-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1CCCC2(CC2)C1	2013540249	FDJUTZSFSNIRMN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC1(NCCC(C(C)C)C(C)C)CCC1	2015355805	CDVABUPHBALYLC-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CCCc1ccccc1N)C(C)C	2015361656	XMWIOMOXINDXKW-UHFFFAOYSA-N	233.399	4.520	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CC(C(C)C)C(C)C)C1	2015385402	DNOYOYIPNNLXOQ-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@@](N)(CCC)C2CCC2)CCC1	2015645025	RDMFXMVDDRWAOJ-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1(C(C)(C)C)CCC1	2017139626	XLOYPHRLHKONMG-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
CCC1(CC(=O)[C@H]2CCCC(C)(C)CC2)CC1	2018924441	MVZOVWFAXKBWDP-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC1(CC(=O)c2cccc3ccsc23)CC1	2018947377	FQEXRRJRGXCZHV-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCC(CC)CCN(C)C[C@@H]1CCC[C@H](C)C1	2019163446	JKFVYXPMRAMPAE-GOEBONIOSA-N	239.447	4.571	0	10	BJAE	
CCCCN(C1CCCCCC1)[C@@H](C)CCC	2020506800	WZRBJACUCISKFO-HNNXBMFYSA-N	239.447	5.000	0	10	BJAE	
CC(C)CC(=O)CC[C@H]1C[C@@H]1C1CCCCC1	2022557454	OKBXXXJQJZSPMH-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1	2026062495	REACPKJOBAALOH-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CCC1CCC1)NC	2026166750	MDWFQIVWRFCWJW-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CCC(C)(F)F)NC	2026170995	UBWLRGHWPGIANN-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCN[C@@H](C)C[C@H](C)CCC=Cc1ccccc1	2026895536	OLNHQEDTODVDDH-CVEARBPZSA-N	245.410	4.504	0	10	BJAE	
CCCc1cccc(C(=O)CC[C@@H]2CC2(C)C)c1	2027811724	FLDZRDBYDBECGX-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CCCCCCC(=O)Cc1ccccc1CCC	2027906320	QMCCBHCWHUJIQI-UHFFFAOYSA-N	246.394	4.721	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)c1cccc(C2CC2)c1	2028560161	NORBRYQFIJHEEZ-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21	2028788136	XLIUMDNHQWSVRV-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1CCC(=C2CCCCC[C@H]2N)CC1	2031507432	WZOWLQIHTNKNBR-BZSJEYESSA-N	249.442	4.811	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C12CCC(CC1)C2(C)C	2033445616	XAFRFJHUEPXTRQ-CKDBGZEDSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCc2cc(C3C(C)(C)C3(C)C)ccc2N1	2034040575	XLFSKSAUSFQQKC-NSHDSACASA-N	243.394	4.583	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@H](Nc1ccc(F)cc1)C2	2036668527	VIEVKPMVUVRYGJ-APHBMKBZSA-N	247.357	4.597	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@H]2CCC[C@H](C)C2)cc1	2037082031	HKFQOKNQCMBIIS-JQFCIGGWSA-N	245.410	4.636	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc([C@H]3CCCC[C@@H]3C)[nH]c21	2038010171	QGIVPUGPMIQPEY-RVMXOQNASA-N	246.398	4.704	0	10	BJAE	
CC1CCC2(CC1)CC(N)([C@@H]1CCC(C)(C)C1)C2	2038939672	DZBDVQOILXHILE-FBZFNHGYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2cccc(C)c2)CC1	2041384878	XQVPGWUJYSVOAU-HUUCEWRRSA-N	244.378	4.784	0	10	BJAE	
CCCCC[C@H](NC1[C@H](C)[C@H]1C)c1ccccc1	2043294600	FXVSXSRTMWDKPK-FMKPAKJESA-N	245.410	4.552	0	10	BJAE	
C1CCCC(CCN[C@@H]2CCC3(CCC3)C2)CC1	2043604997	CAJFZDSWGKJCSB-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2C[C@@H]3CCCC[C@H]32)C1	2045451752	WCIOYAJEOFNFPK-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2C=CCCC2)cc1C	2045561367	XVTLJLOLJSAFAM-OAHLLOKOSA-N	242.362	4.541	0	10	BJAE	
CCCc1ccc([C@@H](CCCC(C)C)NC)cc1	2045640479	DZLFCVWKXNXJGE-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CN[C@H](c1cccc(C)c1)C1(C)CCCCCC1	2045721340	LKJKNSXCNNOWPC-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@@H]2CC23CCCC3)CC1	2047024941	XXVPPYPBAKVUMZ-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1CCC12CCC2	2047935994	NEWGOJCKONJQHX-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](CCCCC1CCC1)c1cccc(C)c1	2050461172	RAUDRHYPJCVWJT-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCNC[C@]1([C@H]2CCC[C@@H]2C)CCC=CCCC1	2055277173	NBAWMZKBMJINGV-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCC1CC(C[C@]2(N)CCCCC23CCCC3)C1	2056646162	SBQMBIOOVQUYAZ-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C1CC(CC)C1	2056872499	DIUXMRPMBZZSHH-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CC1(C)CCCC1	2056875805	KLCHIZWTFMGQOF-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1[C@H]2CCCC[C@H]21	2059250745	TWSDQROMZFHXBA-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H](NC)c1cc(C)c(C)cc1C	2059258926	KPWNKYDESMAUDP-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1C[C@@H]2CCC[C@H]21	2059261573	FSLMKHXQOCCWNK-JVFQJLMCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2061116363	PMHSUQOEBWYMLI-SLBVQIDZSA-N	249.442	4.523	0	10	BJAE	
CN[C@H](CC1=CCC(C)(C)CC1)CC1CCCC1	2061148757	XNOHAQKZWMGKHQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CCC[C@@H]1C1=CC[C@H](C(C)(C)C)CC1	2061149548	DPNSSZFXEJFGQM-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCC1([C@H](CC[C@]23CCC[C@H]2C3)NC)CCCC1	2061625316	DEAXARAQCFDXGL-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)(C)C)C1CC(=C2CC2)C1	2061737251	PFICOQVBZVYLOG-MLGOLLRUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CC2)C1)CC(C)(C)CC	2061738641	FKYSCMMRVWGLAY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063486079	GYWALCPYYBWAHM-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2C[C@@H]3CCC[C@H]3C2)CC1	2063492250	XOYXPNQXWOHZTG-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1CCCCC1)C1(CC2CC2)CCC1	2069511312	NEVBRBOVTGKAGT-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(C[C@@H](N)C2CC3(CCCC3)C2)CCC1	2071945547	HTCCJAUAYNUYCH-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@@]2(C)C=CCCC2)CC1	2072792541	BCNINGGAGFERHV-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCC23CCCC3)CC1	2072794599	WDEISMICPIMXCZ-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C2C[C@@H]3C[C@H]3C2)CC1	2072878591	OOLWSRMCBJLWRX-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CN(C[C@]12CCCC[C@H]1C2)C1CCCCCCC1	2074057148	XVEHYGNSCZHPCM-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CCCC1(CN2CCCC3(CCCC3)CC2)CC1	2074588099	BVDNKSKCRZWWTE-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CCCC3(CCCC3)C2)C1	2074888349	KAYKNSJWLRKING-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CN([C@@H]1C=CCCCC1)[C@@H]1CCCCC12CCC2	2075401397	MMHLFHUKYDSKIV-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
CC(C)CN(C1CCC1)[C@@H]1CCC12CCCCC2	2076748937	FERBSSWUINOUCK-MRXNPFEDSA-N	249.442	4.610	0	10	BJAE	
CC1CC([C@H](C)Nc2ccccc2C2CCC2)C1	2077264568	VRMOBZLHRARCSC-OWYJLGKBSA-N	243.394	4.801	0	10	BJAE	
C[C@H]1C[C@H](C[C@H]2C[C@](C)(F)C2)c2ccccc2N1	2077717543	RFSZHQITFYMZTM-JFILPPLUSA-N	247.357	4.503	0	10	BJAE	
Cc1c(F)cccc1C(=O)C1CCC(C)(C)CC1	2077840372	ZRWNOPVILUMGBI-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC1(C)CCC(C=C[C@@]2(C)CNC(C)(C)C2)CC1	2078847421	QKDVIRCAHHAZRW-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@@H]2C2CCC2)C1	2079327245	FPIFKMDNIJAUAS-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(CC(=O)[C@H]2C[C@@H]2C2CCCCC2)C1	2079479686	YWNXFSDFIJPCOV-GMEATFMZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@H]2C[C@H]2C2CCCCCC2)C1	2079661952	RYPRPCIMHSTCSS-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2C[C@H]2C2CCCC2)CCC1	2079726427	SSRIKBFOWCJZQA-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@H]2C2CCCC2)CCCC1	2079830861	HERKPCGUODLFFJ-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC1(N)CCC2(CCCC2)CC1	2079870184	JYPSYIYPAJHLSN-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C=C1CCC1)C1CCC(C(C)C)CC1	2080258245	ZDJQKJGIEJJSIT-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCNC3(CCC3)C2)C1	2082975408	IQBFBBDLWZRWSC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@H]2[C@H]3CCCC[C@H]32)C1	2082986132	LAHGIIMTRVHQPI-HGTKMLMNSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1cccc([C@@H]2CCCCC(=O)C2)c1	2083550838	RMUDVLKSLQMLKB-CQSZACIVSA-N	244.378	4.601	0	10	BJAE	
CC(C)(C)c1cccc([C@@H]2CCCCCC2=O)c1	2083550864	RROCAVQOEAIHMT-HNNXBMFYSA-N	244.378	4.601	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1cccc(C(C)(C)C)c1	2083552184	HPZIFVGXMSWSMZ-CVEARBPZSA-N	248.410	4.700	0	10	BJAE	
CCC[C@H](C)C(=O)CC1CC2(C1)CC1(CCC1)C2	2083606301	RTVRDGXXCWKSRJ-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(CC(=O)CC2[C@H]3CCCCC[C@H]23)C1	2084995004	PSOLURCPBMZPHH-BGHVQYPCSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)Cc1ccc(C)cc1	2086044011	KIGXVIKWVVFZAP-PBHICJAKSA-N	248.410	4.505	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1cccc(C)c1C	2086053782	NKOKWPPCZCOVEP-DYVFJYSZSA-N	247.426	4.910	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1cccc(CC)c1	2086054944	WZQWKECWKCJTGP-WMLDXEAASA-N	247.426	4.855	0	10	BJAE	
CCCCC[C@@H](CC)O[C@H](C)c1ccc(N)cc1	2086295893	QGKXSJYVWDJBFE-CZUORRHYSA-N	249.398	4.705	0	10	BJAE	
CCCC1CCC(CC(=O)C[C@@H]2CC23CC3)CC1	2086518581	ADHKXLURSVDPJA-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC(=C(F)F)c1cc(Cl)cc(Cl)c1	2209335558	YIJYYAXYPXTBIH-UHFFFAOYSA-N	223.049	4.621	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CC=Cc1ccccc1	2210662702	SCZJFXZCEKEIJK-ZBFHGGJFSA-N	214.352	4.916	0	10	BJAE	
CC(C)C(N)(CCCCCCC1CC1)C(C)C	2213572725	ZPSIZDNEMKZRSB-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)CCCCCCC1CC1	2213579591	UFSDJYSYABRJGK-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCC1([C@H](O)CCCCCCC2CC2)CC1	2213580551	ZSALQLMFRAGNGS-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)CCCCCCC1CC1	2213582444	HUHIEABRSIZLQB-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@H](CC)C(C)C	2214582675	NBTUCUDHUNIZBC-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC2(C)CC(C)(C)C2)C1	2215386879	QRGMXVBBHFMUGV-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NC)C1(C)CC2(CCC2)C1	2215387697	SOETYNOIBOYBCO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)NCCCCCCCC1CC1	2216884382	VCPZAIFVOGNPRN-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)C1CCCCCC1	2217147982	AZCUXAGKDLUVTJ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C[C@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCCCN1	2218357697	RZVUDUOFVZRJMC-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CCCNCCC=CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218367422	RNUKNNJADWJUJZ-OSYLJGHBSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC=Cc1ccccc1	2219082830	PNDFBQGYTBOJSP-NVXWUHKLSA-N	245.410	4.634	0	10	BJAE	
CC(C)CCCCCNCC1(C2CC2)CC=CC1	2219259038	UXDGBECSELXUAM-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)c1ccoc1C	2220027519	JEKYUSOLLJRRAM-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)CCC2CCCC2)CC1	2221607473	PHNLIDXSLNNXRW-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CCN[C@H]2CC[C@H]21	2223158228	HNDVPTZZLSQFEY-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@]1(CCC1CCCCC1)CNC1CCC1	2223607594	YEZRXTAGFJDTEF-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](C)[C@@H](O)C[C@@H](C)CC(C)C)cc1	2223969130	UPLURTSQMAQZNL-ZOBUZTSGSA-N	248.410	4.532	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](C[C@H](C)C1CCC1)N2	2224122989	CUHKJJUBLFNNDC-BBRMVZONSA-N	243.394	4.548	0	10	BJAE	
C[C@H]1C[C@H]1CCCCOc1cccc(Cl)c1	2243040907	WAEJVTRROISRDH-NWDGAFQWSA-N	238.758	4.545	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](C)c1sccc1C	2244794263	CGPMTRBSDIUHIE-CHWSQXEVSA-N	239.428	4.533	0	10	BJAE	
Cc1scc(C(=O)C23CCCC2CCC3)c1C	2246415788	JCOWALIELIRHEA-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@](C)(CN)CC[C@H]1CCC[C@H](C)C1	2246658624	CDOBHGOZEPWXBY-XHSDSOJGSA-N	239.447	4.748	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CC[C@H]1CCC[C@@H](C)C1	2246728604	SZDQRGGXDZATCJ-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC(=O)CC1CC2(CCCC2)C1	2246812755	GRKYKKKDHZLOKE-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(O)CCCCC1(C)C	2247123844	YKXDTSWREBDUOW-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(NCCCC(C)(C)C)cc(C)c1C	2249491669	UYAYAYYOYIAPOT-UHFFFAOYSA-N	233.399	4.850	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@@H]1C)[C@H](CC)CCC	2250356115	PHDSRAQZCAZIJF-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cc2ccccc2s1	2250358981	BREXMZOVSLGRRW-XHDPSFHLSA-N	247.407	4.727	0	10	BJAE	
CCC[C@H](C)N(C)CC[C@@H](C)CCCC(C)C	2250466970	MBTXDEPNDBVYAR-HOTGVXAUSA-N	241.463	4.959	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@]1(C)CCNC1	2250475548	QVPQJRFUSVLKTM-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC[C@H](C)CCCC(C)C)C(=O)O	2250495697	KXKMJAAZEBZEIF-KGLIPLIRSA-N	242.403	4.730	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)[C@@H]1CC[C@H]1C	2250516323	HOTVKJDTDZXTEC-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC[C@]12CCCC[C@H]1CC2)NCC	2251192963	CUGZZNCWLJOORS-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H]1[C@H](CCCC(C)C)CCC1(C)C	2251711279	HWYUGMMHJVJGQC-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@@H]2CCCCC23CC3)C1	2253812887	YYLBFJRAFIILMT-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C1CCCN(CC[C@H]2CCCCC23CC3)CCC1	2253863424	LMAFRDMFMHUZEV-MRXNPFEDSA-N	249.442	4.613	0	10	BJAE	
C[C@@H]1CC[C@](C)(NCC[C@H]2CCCCC23CC3)C1	2253891496	QAYSCQDIEYCUKQ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNc1cccc(C2CC2)c1	2254503948	GZBHNZRXAQTUJF-UKRRQHHQSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@H]1CCC12CCC2	2254974833	ISUSUJKNRSYZSY-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCC23CC3)C(=O)C1	2255269309	MBPTVDCPJMGUER-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)c1c(C)cccc1C	2259451941	FQSBCEHMAFPQBB-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCNC12CCC2	2259677396	CRCJOSYBBZTVMZ-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@]12CCCC[C@H]1CC2	2260535176	CPDMJVLFTGLBSQ-VYDXJSESSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](CC1(C)CC1)C[C@@]12CCCC[C@H]1CC2	2260577680	HDNZZMSNQSASMQ-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@@]12CCC[C@@H]1CC2	2260622989	SEGVBSFVMIMILD-SVGFKBNWSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@]12CCCC[C@H]1CC2)c1cccc(N)c1	2260651169	JKFTXSPEXYKQHL-UKPHBRMFSA-N	243.394	4.733	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@]23CCC[C@@H]2CC3)CC1	2260653462	YVYFYWHUKLJYBB-VVBDHPJYSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@]23CCCC[C@@H]2CC3)CCC1	2260672707	PSTBJSAXYKXVNV-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@H](C)CC1CC1	2298858998	STJJFYJRFZIJPY-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@H](CC)C(C)C	2300676350	NPNJPLOVOUWOQL-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CCC(N)(CC(C)C)CC(C)C	2300700665	NCUKBDVXQLHAOF-UHFFFAOYSA-N	241.463	4.993	0	10	BJAE	
CC(C)=C(C)CNc1cc(F)ccc1C(F)F	2300712310	HYPDNCLZUUSONV-UHFFFAOYSA-N	243.272	4.532	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)C[C@@H]1CCCC(C)(C)C1	2301944545	GVURMDRWNOBYFH-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
COc1ccc(-c2csc(C)c2)cc1C(C)C	2302239719	SHDVDIMMTBTSKE-UHFFFAOYSA-N	246.375	4.856	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)CCCCCC1CC1	2302609623	GKFGJIPZQKELNP-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)C[C@@H]1CCC(C)(C)C1	2302747525	FGOAKHPSFMSHRM-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)CCC2CCCC2)C1	2302763042	JERWYRUMTMILPJ-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CC[C@H]1C(C)(C)C	2303441815	ATXSAJCHUVRGGK-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@H]1CC[C@@H]1C(C)(C)C	2303445357	QIOWXAGIPJPDPK-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303475043	JIBXLQHPKGDSFU-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CNC[C@]1(CCC(C)(C)C)CCC(C)=C(C)C1	2303581440	ADNZUNOZNDKLFQ-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC1=C(C)C[C@@](CO)(CCCC(C)(C)C)CC1	2303582338	HRUGLHGFVYLLFR-MRXNPFEDSA-N	238.415	4.702	0	10	BJAE	
CCC[C@H](CC)CC(=O)CC(C1CC1)C1CC1	2307761647	UXPMYLHUMWEIFZ-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CCC[C@@H](C)CC1	2307817413	OYLMMJQBGGAKOP-QXSJWSMHSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)c1ccc(O[C@H]2CC[C@@H]3C[C@@H]3C2)cc1	2309130760	VLZUTSRPYXQXHC-IOASZLSFSA-N	244.378	4.552	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1CCC[C@@H]2C[C@H]12	2310191546	GVALMKBJFWVQPH-RYZOMSLOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C(=O)C[C@@]12CCCC[C@@H]1C2)C1CCCCC1	2311164272	GMWJRBNRLWDWBM-UNEWFSDZSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(C(=O)C[C@H](C)C(C)(C)C)ccc1C	2314698555	AALGERWKLMANLS-ZDUSSCGKSA-N	246.394	4.812	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316879862	HFNDLIYHDKXUTO-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
N[C@@H]1CCCCC[C@@H]1C[C@H]1C[C@H]2CCC[C@H]1CC2	2316992578	BATURBGBKVEQRO-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC)CC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317154046	DQKGTPCQUJFTIL-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CN[C@H]1CCCCC[C@H]1CCCC1=CCCCC1	2318596791	DGKJNCJESMPUTN-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1N[C@@H]1CCCCCC12CC2	2320150559	VJTIHPHQUCLQJE-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(C(=O)[C@H]2CC[C@@H]2C(C)(C)C)c1	2320153444	HPIHYRWHDYANIS-GJZGRUSLSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)C1CC2(CCC2)C1	2320320027	KNLKIIXMVUGSHF-TZMCWYRMSA-N	248.410	4.598	0	10	BJAE	
CCCNCC1(C[C@H]2CCC(C)=C(C)C2)CCC1	2320332218	WFIIRNXFJLATQP-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)CC[C@@H]2CC2(C)C)CC1	2320390367	JLJOYTNYQSFBRX-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1CC)[C@@]1(C)C=CCCC1	2320392625	QIHTVNWTULVOGC-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CNC[C@]1([C@@H]2CCC(C)(C)C2)CCC(C)=C(C)C1	2320402872	WNWXMLALGACREU-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@H]2CCC(C)=C(C)C2)C1	2320410667	AMMNOQDTQXTTBZ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)Cc1cccc(C(C)C)c1	2320657058	JHGJEDARNBMJDW-GJZGRUSLSA-N	247.426	4.676	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCN[C@@H](C)[C@@H]2C)CC1	2321287013	APXVJLBWKJXYKE-VGWMRTNUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1NCCC(=C2CCC(C(C)(C)C)CC2)[C@H]1C	2321305006	NNIVTEJYHYTQPZ-QNIGDANOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@H](C)[C@H](NC)c1ccccc1	2328278191	WQTQEXPRVXNFCG-ZOBUZTSGSA-N	247.426	4.800	0	10	BJAE	
Nc1ccccc1C=Cc1cccc(C2CCC2)c1	2343803118	XVDWYSJCIORNQR-UHFFFAOYSA-N	249.357	4.707	0	10	BJAE	
CCc1ccc2sc3ccccc3c2c1	2583657	OIWTUZCEIKRYCP-UHFFFAOYSA-N	212.317	4.617	0	10	BJAE	
Cc1ccc(NC2[C@H](C)CCC[C@H]2C)c(C)c1	20023260	DNUUDTWIXSEGOT-CHWSQXEVSA-N	231.383	4.540	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc2c(c1)CCC2	20520022	VHGPAKJXJXGTPB-AWEZNQCLSA-N	245.410	4.946	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H](C)CCC(C)C	20567374	ATWHPICUFCVZNU-LBPRGKRZSA-N	239.790	4.885	0	10	BJAE	
Cc1cccc(Nc2ccnc3c(C)cccc23)c1	41055149	BIXBLOZCVBUAKL-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccccc2SC)C1	71109582	HASHHUVYPWAEFA-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC(C)(C)C2)c1C	79971225	NOJNTFCETOFGBZ-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1Nc1cccc(Cl)c1	82857292	DIMKRGBNZWKYGN-UHIISALHSA-N	237.774	4.577	0	10	BJAE	
CCCCCCC1(CN)CCC(CC)CC1	83778157	VURUQWMMJAYLGR-UHFFFAOYSA-N	225.420	4.502	0	10	BJAE	
C[C@H]1CC[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C	84836876	LRKMPRDHNPLBDM-MJVIPROJSA-N	237.774	4.577	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@H](C)C[C@@H]2C)c1	85085196	BRBAIHANFUOWGL-HZUKXOBISA-N	231.383	4.540	0	10	BJAE	
CCCCCCOc1ccc(C(C)(C)C)cc1	85151216	PTYOWGALCOTQFW-UHFFFAOYSA-N	234.383	4.943	0	10	BJAE	
CCCN[C@H](c1ccco1)C1CCC(C)(C)CC1	87943701	LKCIVJLCKIRMFG-HNNXBMFYSA-N	249.398	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2cc(C)ccc2C)C1	87983994	JOYPYMZHXCGSGN-LSDHHAIUSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)c1ccc(C(C)C)cc1	92596534	PPRILGPNBYJOQG-YOEHRIQHSA-N	247.426	4.692	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(OC(C)C)cc1C	109912163	RAXVFRDWQDCGDE-CQSZACIVSA-N	249.398	4.773	0	10	BJAE	
CCCOc1ccc(NC(CCC)CCC)cc1	109949662	XXKVZSRPZWIPOM-UHFFFAOYSA-N	249.398	4.856	0	10	BJAE	
CCN[C@@H](c1ccc2ccccc2c1)[C@H](C)CC	111274933	URVFVQFHVUERIE-CXAGYDPISA-N	241.378	4.537	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@H](C)C(C)(C)C)cc1	122587587	XTZBHFTXDZVDAE-ZIAGYGMSSA-N	247.426	4.895	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](C)CCNC(C)(C)C	132700456	NDCNTVDVWYIWPT-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)c1cc(C)sc1C	133689262	GZXDFIQLBNXICA-UHFFFAOYSA-N	224.369	4.518	0	10	BJAE	
C[C@H]1CC[C@H](Oc2ccc(C(C)(C)C)cc2)C1	145655700	ZXICRTAUCVZQOS-WFASDCNBSA-N	232.367	4.552	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CC2CCCCC2)cc1C	148178240	SGGNKRYTFWPJNR-KRWDZBQOSA-N	246.394	4.616	0	10	BJAE	
c1cc2c(cc1CC1CCCCCC1)CCCN2	148968934	NYMPLOAEKJGFSP-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](CC(CC)CC)C1	149440701	ARFXHORDTHQDNZ-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC(C)(C)C[C@H]2C)cc1F	155828022	GHJORRBSNWUDHP-IUODEOHRSA-N	249.373	4.761	0	10	BJAE	
CCC[C@](C)(CCCC(C)C)CNC(C)C	166077550	TUMWNWQCOKAKKH-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCC[C@H](C)CC1	224953717	CSXQNAWKJLNLCD-WCQYABFASA-N	235.346	4.515	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@@H]1CCCC[C@@H]1CC	225110004	RPZNGHLVJQYOKJ-UAGQMJEPSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)c1ccc(C)c(C)c1	225412066	BMCBAHSJSDBUGJ-PVAVHDDUSA-N	246.394	4.553	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H]1CCCCC1(C)C	226564173	BWBSFTADLOWDTE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(N)CCCC(C)(C)C2)C1	226900865	LQTFWVWBSNCVNN-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@@H](C)[C@H]2C)c1C	227003459	AJYPZYZJNYGKMM-XPKDYRNWSA-N	231.383	4.540	0	10	BJAE	
CCN[C@@H](CC(CC)CC)c1ccc(C)c(C)c1	229163055	SFPLDQYRHQYWPC-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C[C@@H](C)C(C)(C)C	229169389	MOQVYZQDHDYODN-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@H](N)CC2CCCCCC2)C1	229468129	IRINJTVBHDCUBA-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](c1cc(C)oc1C)C1(C)CCCCC1	233643875	ACWYAMVJUWBNQQ-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	251018789	PVOBFJRGVJEZEK-NHAGDIPZSA-N	231.383	4.540	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCC23CCCCC3)[C@@H]1C	299953083	KRYHZSBAELGHIQ-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@H](CCCC(C)(C)C)NCC	300816563	GPULHUCAYRINRI-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CCCC(C)(C)C)C1	305904903	DUCSELBUNPDYDN-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)C[C@H](C)CC(C)(C)C1	306010794	WSTJVCPGRUCMPN-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
Fc1cc2cc(C(F)F)c(Cl)cc2s1	306945102	ZMGFUHLCNWLGIC-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)[C@@H](CCC)CC(C)C	308024162	MESVBSARFIYLLR-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)c1c(C)cc(C)cc1C	308081691	RBSRIBFSONZEKC-WBVHZDCISA-N	247.426	4.684	0	10	BJAE	
C[C@H](NCC1CCCCCCC1)C1CCCC1	309990167	KBJSZBUOKDAFHO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CNC(C)(C)C)CC1CCC(C)(C)CC1	310505263	KHBXWYYFNNRGCY-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC1(CN[C@H]2CCCC23CCCCC3)CCC1	313121096	QYETUUHGICVRAT-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H](C)[C@]1(CNCC)CCC[C@@H](CC)C1	317314714	TZWRDCCVOKELBF-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)C(C)(C)NCC/C=C\c1ccccc1	323798020	FQQHJRXXNUCYJZ-LCYFTJDESA-N	245.410	4.504	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H]1CCCC12CCCC2	328262206	LPXOZMCEBNINGJ-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCCC1([C@@H](N)c2ccc(C(C)(C)C)cc2)CC1	382152741	JKSZWQGXXWQXGQ-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CCC(CC)[C@@H](CC1CCC(C)(C)CC1)NC	383877752	IYWSFPZQQIZPIX-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)Cc1ccccc1	384155250	PDUBURXTCUUIKE-NVXWUHKLSA-N	248.410	4.587	0	10	BJAE	
Cc1ccc([C@@H](N)CCC2=CCCCC2)cc1C	385742914	BWZXYJKHHRKSMG-KRWDZBQOSA-N	243.394	4.584	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNCC2CCCCCC2)C1	389485717	QWNLXEMFOQANMG-WMLDXEAASA-N	249.442	4.539	0	10	BJAE	
CCCNC/C(=C\C1(C)CCCCC1)C(C)C	394801810	UISZTZIROVHUCS-NTCAYCPXSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](NCCCC1CCCCC1)C1CCCC1	395276557	XZZUSCUAQYNILJ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCCCC(=O)[C@@H](CC)CC(F)(F)F	402806285	UEPLRJUVBIJADJ-JTQLQIEISA-N	238.293	4.505	0	10	BJAE	
CCCCCC[C@@H](CCCC1CC1)NCCC	405700154	ANGVLUKASUIKRQ-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
C[C@@H](Nc1c(Cl)cccc1Cl)C(C)(C)C	686232726	XUDNDUGMPCJMSR-MRVPVSSYSA-N	246.181	4.840	0	10	BJAE	
CC(C)c1ccccc1OCCCC1CCC1	688868894	ULACHDHARLZPDF-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
C[C@H](CC1CCCC1)NC(C)(C)CC(C)(C)C	689831475	MMPUEHFEEQAXFV-CYBMUJFWSA-N	239.447	4.760	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2cccc(C3CC3)c2)CC1	690079078	XIKIYJIKBOGYHD-BBRMVZONSA-N	243.394	4.945	0	10	BJAE	
C[C@@H](Nc1ccc(C2CCC2)cc1)[C@H]1CC1(C)C	690100510	XZWOOLZRISWMPI-MLGOLLRUSA-N	243.394	4.801	0	10	BJAE	
C1=C[C@H](Nc2cccc(C3CC3)c2)CCCCC1	690112662	HZVQUKYJOLIYKT-INIZCTEOSA-N	241.378	4.865	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCCCC[C@H]1C(C)C	691171952	WXJITFHASVHHQN-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
C[C@H](C[C@@H](N)C1CC2(CCC2)C1)C1CCCCC1	691880095	UCXSTQNSNPMYMV-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
Clc1cccc(N[C@H]2CCCC[C@@H]2C2CC2)c1	696050714	QEGJNHVXJVPUCK-CABCVRRESA-N	249.785	4.721	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)c1)C(F)(F)F	702901280	RIAHICHEHZVMFM-LBPRGKRZSA-N	245.288	4.563	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCCCC[C@@H]1C(C)C	704461816	UTFLVBGYWLXYLF-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@H]1CCCC12CC2	707102208	KTAKWHMXLRDQGV-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
CCN[C@@H]([C@@H](C)[C@@H](C)CC)[C@H](C)CC(C)(C)C	708284103	QRTDMRKJKQQTIO-LJISPDSOSA-N	241.463	4.719	0	10	BJAE	
C[C@H](C[C@@H](O)[C@@H](C)c1ccccc1)CC(C)(C)C	709071396	PLFLORUSLSXSGO-IJEWVQPXSA-N	248.410	4.613	0	10	BJAE	
C[C@H](CN[C@]1(C)CCCC[C@H]1C)CC(C)(C)C	709099735	WTSQMQBTRPTNPZ-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CC2	709138520	YYHSCUCVTXYDNI-QPSCCSFWSA-N	248.410	4.620	0	10	BJAE	
C[C@H](Cn1ccc2ccc(F)cc21)CC(C)(C)C	709257085	FBPQEJYUVMHONM-LBPRGKRZSA-N	247.357	4.853	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)C[C@H](C)C(C)(C)C	710700466	ARSKCAHOQPEGCH-IMJJTQAJSA-N	248.410	4.613	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1coc2ccccc12	711322318	RPLHUHYTHZYKQD-CQSZACIVSA-N	245.366	4.649	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1C[C@@H]2CCCC[C@H]21	712381786	CHNXWESVCHOINF-NJZAAPMLSA-N	249.785	4.639	0	10	BJAE	
CC(C)(C)C[C@@H](O)C1CCC(C(C)(C)C)CC1	713185050	BOQAXRZOPXELFS-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C\CC[C@@H]1C[C@H](CC)CC[C@@H]1CNCC	713710090	MKVBPKFAVYGRJP-BEKDMHARSA-N	249.442	4.561	0	10	BJAE	
C=C/C=C\CCCc1cccc(Cl)c1F	713745514	OLORZKSOADXING-ARJAWSKDSA-N	224.706	4.544	0	10	BJAE	
C=C/C=C/CC[C@@H](CCC1CCCCC1)NCC	713766170	XIUPRISBXLOPBT-RTRPANQVSA-N	249.442	4.847	0	10	BJAE	
C/C=C/C[C@@H](C)c1cc(CC)ccc1CC	714556847	DDZVOPFAKHNXBT-OQHXTRMZSA-N	216.368	4.881	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC(C)=C(C)C)NCC	718605271	YRTRWBSIBQONMM-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCCC(C)(F)F)NC	718721996	LHYGFWXLJSRLPZ-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)CCCc1cccc(C)c1	718749727	CNGBGVFRYVFLGK-UHFFFAOYSA-N	202.341	4.674	0	10	BJAE	
CC1(C)CCCCc2c1[nH]c1c(Cl)cccc21	719247326	MJKYSRUGGNVCBH-UHFFFAOYSA-N	247.769	4.825	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC2CC(C)(C)C2)C1	723568955	LVZCKEJHAMQOQQ-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCC(C)C)c1cccc(C(C)(C)C)c1	821963906	TVRHASQXPBLHCG-INIZCTEOSA-N	247.426	4.681	0	10	BJAE	
Cc1ccc(CSc2ccc(C)s2)c(C)c1	1189545978	HPYDALLRXQYHAX-UHFFFAOYSA-N	248.416	4.966	0	10	BJAE	
C[C@@H](CC(C)(C)C)NC1CCC2(CCC2)CC1	1560496167	FWVZEZJVNAXILX-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H](C)SCC[C@@H]1CCC[C@@H](C)C1	1613581176	CEMQFAWRNMTUKQ-MCIONIFRSA-N	228.445	4.981	0	10	BJAE	
CCCc1ccc(CNCC[C@@H](C)CCC)cc1	1621049242	UMDPPSGGPDXYDC-HNNXBMFYSA-N	247.426	4.555	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC[C@@]12CCC[C@@H]1C2	1908424611	OGQCREKAMQGFCV-SQWLQELKSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@@H]1C1CCC1	1909758024	NXWGCMHSCNEJMW-ARFHVFGLSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1CCC[C@H](CC)C1	1920183369	UBBKCSBZLZEMDG-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
CCCC1CC([C@H](CC(CC)CC)NCC)C1	1921270272	DROKVPNKINROOJ-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(CO)C1CCCCC1	1923913869	XXYITRNQPGYJCW-GOEBONIOSA-N	240.431	4.638	0	10	BJAE	
CCC1(C[C@H](N)[C@H](C)C2CCCCC2)CCC1	1924126617	RFQBJNIVZYDENB-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
NC[C@@H]1CCCC2(CCC2)[C@H]1CC1CCCCC1	1924837025	JQDVVPPQEONSFE-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2C=CCCCC2)c1C	1925808646	ZLUHBUFYRKVGLY-HNNXBMFYSA-N	242.362	4.623	0	10	BJAE	
CC1(C)CCC(=CCC[C@@H]2CC2(C)C)[C@@H](CN)C1	1927165742	NRTNGWFGTMKSQW-HUUCEWRRSA-N	249.442	4.524	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1csc(CC)c1	1936755797	CXXPVONLGWSGHD-RISCZKNCSA-N	240.412	4.560	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C[C@@H](C)C(C)(C)C	1940864682	QHQGJHXXAIGMAV-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@@H](N)CCCC1(C)CC1)C(C)(C)C	1940874789	HDKSBNJVMAQVGL-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)CC(C)(C)C(C)C	1941262313	CHNCFGBNDSFWCS-HUUCEWRRSA-N	241.463	4.704	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)C[C@H](C)CC	1941591854	OVNAVPPDAOZNOP-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CCNC(C)(C)C)CC1CCC=CCC1	1941792950	DQBPGGFGJMHHJB-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C[C@@H](O)CC1CCC=CCC1)C(C)(C)C	1941825219	GBSOBCFARMVODJ-DZGCQCFKSA-N	238.415	4.556	0	10	BJAE	
CCCC1([C@H](NCC)[C@H](C)CCC(C)C)CC1	1942653849	VGNRGOUCMBXTOL-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)([C@H](C)CCC(C)C)[C@@H]1CC1(C)C	1942656033	CFEBWOALYRJWCU-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CC(C)(C)CC[C@H]1C	1942661030	VCYIMGSNQAIBCH-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC1C[C@@H](C)C[C@H](C)C1	1944200095	SBJJRJCAWIOHPT-KCQAQPDRSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@]1(CN)CCC1CCCCC1	1944479198	ZNOJNASLSRHEST-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C(C)(C)C(C)C	1944667455	CUYWHAJRPAKXAV-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2CCC[C@H]2C)CC1	1944790711	OLHQIONKVDRRLH-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@H]1CCC(C)(C)C1	1945601827	XTCNPXBHGMOYBC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)C[C@@H]2CCCC[C@@H]2C1	1946293836	VHSBQKSREPZFKG-FOLVSLTJSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2C=CCCC2)c1Cl	1947550953	AWYRSCZVVPGFPD-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
CC[C@@H]1[C@@H](C)[C@H]1C1(N)CCCCCCCCC1	1947881353	NNYYEARUSUEEGM-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)NCCC1=CCCCC1	1948326698	MMZPCONBIITYBO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)NCCC1CCCCC1	1948327400	PARWKBPWHREKDC-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@H]2CCC2(C)C)CC1	1949065785	SDNQXTSZWMGBCK-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)[C@@H](N)C1)CC(C)(C)C	1949659655	FKMTVIDGEHHPQJ-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(Cl)c1NC1C[C@@H]2CCC[C@H]2C1	1950296398	OMBYARXCDSDYNE-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCCC23CCC3)c1C	1968250941	WBECYCFELDZDAH-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
Cc1cc(C)cc(NC2CCC3(CCC3)CC2)c1	1968308590	YBNYNJSRUYGESN-UHFFFAOYSA-N	243.394	4.828	0	10	BJAE	
CCC[C@@H](C)NC1CCC2(CCCCC2)CC1	1968898985	JGQSMQUVYUPYJA-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
C[C@H](c1ccccc1)N1CCCCCCCCC1	1970124704	CUWSXNJZIIWMBV-MRXNPFEDSA-N	245.410	4.794	0	10	BJAE	
CCCC(C)(C)CN[C@@H](CC)c1ccc(C)cc1	1973172889	TWWJONCKKICEFQ-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CC1(C)CCC[C@@H](NCCC2CC3(CCC3)C2)C1	1973745876	ZCEZPNYNZOKPGI-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NC1CCCCCCCC1)C(C)C	1980337829	XPMVDQRHNYQTFQ-HNNXBMFYSA-N	225.420	4.514	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](CCCC(C)(C)C)C1	1982567407	NQPIIVVNBVNNDV-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC=CCCCC[C@H](NCC)c1cccs1	1984630692	UOKARTQNGJLNKN-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
CC[C@H]1CC[C@H](CCC(=O)CC(C)C)CC1	1989838939	CWSWOVGFUHLLJU-HDJSIYSDSA-N	224.388	4.598	0	10	BJAE	
C[C@]1(C(F)(F)F)C[C@@H]1C[C@@H]1C=CCCCC1	1992668949	NSOPEPFJEYXOBF-WOPDTQHZSA-N	232.289	4.711	0	10	BJAE	
CC1([C@](C)(O)CC2CCCCC2)CCCCC1	1995986601	PEGQAHZGYLXVMI-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](C)(N)C1CCC(C)CC1	1996593019	FGBUKZWNJXGTCC-KNIAUWFNSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CCC)NC1[C@H]2CCC[C@H]1CC2	1997573457	PYVXSFVSSQDLMA-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C(=O)CC2(C)CCCCC2)CCC1	2000192794	ALAMRFSYNJGINH-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC1(C(=O)CCC[C@@H]2CC2(C)C)CCC1	2000195392	RNXYRACNCZVAAE-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CCCC(C)C)CCCC(C)(F)F	2000312746	NAAXEQRAGCEWFN-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@@](C)(CC=C(C)C)CNC(C)(C)C	2000518437	OGEIOGXZPUMVST-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)C1CCC(CC)CC1	2002922711	CGWVMCYYBOOWON-LBDPXKHJSA-N	239.447	4.760	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(CN)CCCC(C)(C)C1	2002973006	BPDAURPXDGIWDA-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@@H](C)C(C)=C[C@@H]1CCCC(C)(C)C1	2002990937	NQKDGLSTKTWETN-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CCC([C@@H](N)C(C)(C)C)CC1	2003067181	OIDXQYJIPDRMNK-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@H]1CC[C@H](C)CC1)CC(C)(C)C	2003104669	XLTZDWZNIWNRTP-ZQDZILKHSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H]1CCCC2(CC2)C1	2003191864	QMQOPWUINQKYTQ-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CCCCC12CC2	2005599175	GTYYWGNGRCAYPR-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](Nc1ccc(CF)cc1)C1CCC1	2007025642	OBSPTPQVTOSMRN-OAHLLOKOSA-N	235.346	4.537	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)C1(C)CCC(C)CC1	2007695977	LCAOLHQBISMSIR-CIDNJEQPSA-N	239.447	4.617	0	10	BJAE	
C/C=C/C[C@@]1(CNC(C)(C)C)CC[C@@H](CC)C1	2008071174	BXBOPGPEFOEADG-UVMHCMFPSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(CCC2(C)CC2)C1	2009551570	ILEMOBHDLNJKHS-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(=O)CC2CC(=C3CCC3)C2)s1	2011075607	QCLDSOFTQHEVTG-UHFFFAOYSA-N	246.375	4.520	0	10	BJAE	
C[C@H](N[C@@H]1CCCCCC12CC2)c1ccsc1	2011273175	ZEDSMAASDZRNET-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)C=CCC(C)(C)C1	2012049097	BHNHCDHNYMKPQD-BBRMVZONSA-N	237.431	4.523	0	10	BJAE	
CCNC[C@@](C)(CC(C(C)C)C(C)C)C(C)C	2015412162	LJUMVOIIIIJFQY-MRXNPFEDSA-N	241.463	4.577	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CCC[C@H]1CC1(C)C	2016119665	MNWSQXYNTQGCLT-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCC1CC(C)(C)C1	2016146597	YBGCFHFPLWBJRS-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)CC2CCC2)CC1	2017777580	FAFMAHSIAFUJOA-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@]2(N)CCCC(C)(C)CC2)CC1	2018998270	JPJVDTFBGWBUFJ-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)CN(C)C1CCC(C)(CC)CC1	2019293688	PFHZLZIWBVMDNG-FHERZECASA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](C)N1CCCC[C@H]1C1CCCCC1	2019306547	XVSOFEAOJCGVLD-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CC(C)CCCCCN1[C@@H](C)C[C@@H](C)C[C@H]1C	2019344423	MQHIKRUBJHCNCM-MUJYYYPQSA-N	239.447	4.712	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2C=CCCCC2)C1=O	2020392951	NEKMYYDQJFKHMV-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)C[C@]1(O)CCC[C@@H]2CCCC[C@@H]21	2022994279	PXKHHJYNFWFJLB-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
Cc1c(N)ccc(C2[C@H]3CCCCC[C@H]23)c1Cl	2023976184	QAHLTHVVBHOUMO-QWRGUYRKSA-N	249.785	4.524	0	10	BJAE	
C[C@H](CC(=O)c1cccc(C(C)(C)C)c1)C1CC1	2027627603	KGNGTGBJJDKCJT-GFCCVEGCSA-N	244.378	4.603	0	10	BJAE	
Cc1cccc([C@H](O)CCC[C@@H]2CC2(C)C)c1C	2027843696	SFDGMTIMXJBLDJ-GDBMZVCRSA-N	246.394	4.553	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1c(C)cc(C)cc1C	2028235824	TXEVQEISYLTDDG-RDJZCZTQSA-N	248.410	4.718	0	10	BJAE	
CCCC(O)(CCC)c1ccccc1C1(C)CC1	2028554751	NBZKVJBMKYWOEW-UHFFFAOYSA-N	246.394	4.526	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)c1ccccc1C1CC1	2028560902	VSZIIYOTJUOCSN-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)c1ccccc1C1CC1	2028572953	DTWUCAFPBANECQ-CYBMUJFWSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@@H](CCCCCC1CC1)c1ccoc1	2028645957	UJYVTTXWGGSRQM-INIZCTEOSA-N	249.398	4.681	0	10	BJAE	
CCC[C@H](NCC[C@H](C)CCC)c1ccccc1	2029966791	MFZWBMPISZDSGC-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CN[C@@H](CC(C)C)c1ccc(C2CCCC2)cc1	2031750661	VJYRVTUULNHEPW-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc(C(=O)[C@]23CCCC[C@H]2CCC3)cc1	2031850737	KNFDLZDCYNXFCJ-RDJZCZTQSA-N	242.362	4.538	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNc1ccccc1C1(C)CC1	2032510997	SLXQABURFUFPMM-UONOGXRCSA-N	243.394	4.586	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@@H](C)[C@H]2C(C)C)c1	2035407066	FZJRWVFKRCVLPG-BFYDXBDKSA-N	245.410	4.786	0	10	BJAE	
CC(C)(C)c1ccccc1C(=O)C[C@@H]1C=CCC1	2035551228	FBJPSDRWDZMNGE-CYBMUJFWSA-N	242.362	4.523	0	10	BJAE	
CCCN[C@H](CCC1CC(C)C1)c1ccccc1	2036179578	YLZWQHXKTISFDT-VMBOVVBDSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@H](N)c1ccc(CC(C)C)cc1	2037125666	LFFNTZOURSTFNK-KEYYUXOJSA-N	247.426	4.567	0	10	BJAE	
N[C@@]1(CC2CCC=CCC2)CCC12CCCCC2	2037209472	AFTKGGVNQTXAQP-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCC[C@H](C)CC2)c(F)c1	2039368386	BPZMNBCLLRIFKQ-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CC1(C)CCC[C@@H](CNC[C@H]2C=CCCC2)CC1	2039380032	FEFCVHAHWPSJFQ-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@H](N)CCC1=CCCCC1	2039435472	DPRFUWDAKPMOFZ-DJIMGWMZSA-N	247.426	4.587	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C[C@H]2C=CCCC2)CC1	2040644505	NLCBPBHXSFQMFB-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H]([C@@H]1CC[C@@H](C)C1)[C@@]1(C)CC=CCC1	2042025498	VVPXRRLZHUKTDU-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H](C)C1)C1CC=CC1	2042025950	ZQOVIOQALDGDTR-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CNC[C@@H]2CCC=CCCC2)C1	2045328129	BJUWNMMEFROWQQ-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CCCc1ccccc1O[C@@H]1CCCC(C)(C)C1	2045461243	YWCSIEUXJXPMTN-OAHLLOKOSA-N	246.394	4.987	0	10	BJAE	
CC1(C)CCC[C@@H](C2(N)CC3(CC(C)(C)C3)C2)C1	2045504524	KVPQRUUQFPQBGR-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](NC)C2=CCCCCCC2)CCC1	2045732643	KLXCNBFJADFQSM-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CN(CCCC1CCC1)C1CC2(CCCCC2)C1	2046323001	ROHBURWCCRPANI-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H]1CCCCN1C[C@@H]1CC12CCCCC2	2047027973	WHGMQHZFGLIJPD-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1N[C@@H]1CCCCC12CCCCC2	2047591594	ZTYAGOCQCCNKJK-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048443776	STRBRDCXUHMPDK-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2[C@H]3CCCCC[C@H]23)C1	2048465477	KFNHXPRIBJWCMA-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCC1CC([C@@]2(N)CCCC3(CCCCC3)C2)C1	2048632565	BAMYXHPUSNMWEE-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(N[C@H](C)[C@H]2CCC[C@H](C)C2)c1	2049536844	OGAATYWTGGYENH-LZWOXQAQSA-N	245.410	4.876	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@H]2CCC3(CC3)C2)C1	2049848801	LTLHYCYBRMPIEE-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](C)(CNC1CC1)CC1CCC2(CC1)CC2	2049859162	QASQECDPMKUDPK-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](O)CCC2(C)CCCCC2)c1	2050430471	MMJUNACYNFLXGE-MRXNPFEDSA-N	246.394	4.779	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@@H]1C=CCCCC1	2053402289	WQUHDDSTWLNJSY-NVXWUHKLSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@H](C)C2CCCCC2)C1	2054987066	JLJOTDGPOBVMLB-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2C=CCCC2(C)C)CC1	2055533717	WMZNWWIWJQTKIJ-BZUAXINKSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)[C@H](O)[C@H](C[C@@H]2CCC=CCCC2)CC1	2055545538	VIUNGWGSXCWWEH-IKGGRYGDSA-N	248.410	4.620	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@@H]2C=CCCC2)CC[C@H]1C	2055601450	PGOVITMUKGSURI-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)CC2CC3(CC3)C2)CC1	2056558918	MMEZBNNFKMMEGF-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C2CC3(CCC(N)CC3)C2)C1	2056620883	LDWBWPURCAFOSC-DPGVGJJJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)c1cccc(C)c1	2056874577	YMAJAJPEMVHWMF-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCC[C@](N)(C1CCCC1)C1CC(C2CCC2)C1	2057485649	FGFQSLFZGBFXKO-PREGVCBESA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCCC)c1cccc(C)c1	2059225798	RHFLYLIOPFCILD-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CCCCCC1CC(N[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2059394247	SCGTVXBFBXBYIK-QZRVTLOJSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)[C@@H]1CCC[C@@H](C)C1	2061086784	AZCXQTICBKYMCG-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
C[C@H](NC1CC1)[C@H](C)C1=CC[C@@H](C(C)(C)C)CC1	2061151803	VODLINRMFAIRAB-KCQAQPDRSA-N	249.442	4.536	0	10	BJAE	
CC1(C)CCCCC[C@@]1(O)CC1CC(=C2CC2)C1	2061689178	WYUQUTRAVLJPDG-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC(C(=O)CC2CC(=C3CCC3)C2)C1	2061696716	UAUZKNNVYRVRGW-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](CC23CCC(CC2)CC3)C1	2065285885	KJUXDJDJMJCSRO-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
CC1([C@](C)(N)[C@H]2CCC3(CCCC3)C2)CCCC1	2067529757	KORRIBRHLSCMKD-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](N[C@@H](C)[C@H]1CCC1(C)C)c1ccccc1	2068286372	FFIDSYIKESECQO-NUEKZKHPSA-N	245.410	4.552	0	10	BJAE	
C1CCCCC(N[C@H]2CCC3CC2C3)CCCC1	2069353051	ISOPDKFBHQDZLY-DQPZFDDXSA-N	249.442	4.658	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)[C@]12CCCC[C@H]1C2	2070394324	CYBQAAUFXYCVAR-VVLHAWIVSA-N	249.442	4.680	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@]23C[C@H]2[C@H](C)C3)CC1	2072873920	UGGYONKJSZQIGR-KAVNZZFMSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)C1CC2(CCCC2)C1	2074649584	VJVQIRHBTIFAQK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1	2079492216	PDKAMYUERDBVKI-BCAXMMLOSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1C[C@@H]1c1ccccc1	2079841606	JVELASLQVURCRR-HUUCEWRRSA-N	244.378	4.576	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC1(N)C[C@@H]2CCCCC[C@H]2C1	2079862799	IBDCIPRGNNXSDX-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C=C1CCC1)[C@H]1CCC[C@H](CC)CC1	2080259497	JKBLHIDRTZWFEB-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C[C@]2(N)CCC[C@H]3CCCC[C@@H]32)C1	2081133691	RPAOGJLGZHOQPX-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1cc(C)cc(C)c1C	2082921669	NHRXHVVZBIHXAQ-INIZCTEOSA-N	247.426	4.828	0	10	BJAE	
C[C@@H]1CC=CC[C@@]1(CN)C[C@H]1CCCC(C)(C)C1	2082985798	JCIJVWFUONMRRO-VYDXJSESSA-N	249.442	4.524	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(CN)CCC23CCC3)C1	2082989946	DRVMVEVELATESQ-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCCC[C@@H]2[C@H](N)C3(CCCCCC3)[C@H]21	2083262840	HALLXTGKMAFYOZ-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@H]2CCCNC23CCCC3)CCC1	2083811047	UGBBZAABMSZHSP-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@@H]1CC(C)(C)C1(C)C	2084430475	URVZUSDFBIEPPZ-HUUCEWRRSA-N	249.442	4.632	0	10	BJAE	
CC1(C)C[C@H]1C[C@H](O)CCCCCCC1CC1	2213577556	CTDJNCRYLAWKAQ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
Cc1csc(C(=O)C[C@@H]2CCC3(CC3)C2)c1C	2213656244	RRIAHAHQXPVDKJ-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CC1=CC[C@@H](CN[C@H](C)CCC(C)(C)C)CC1	2215834647	PHQUOSQTYZDOPT-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CN[C@@H](C)CC)C1CCC1	2217152582	GASZCTIHJRTUAO-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218337801	ZIWVBXFGRUWFSP-DCGLDWPTSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218339013	ZILOJMHVUVYBHX-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)C/C=C/c1ccccc1	2219060855	AXSWJTYXNFXXTD-BZYXRLQRSA-N	246.394	4.667	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)CCC2CCCC2)cc1	2223965613	LTNNGBVWYMRSMN-CQSZACIVSA-N	244.378	4.638	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)c1cccc2ccoc12	2224176418	NFJBJQKHBVUIKH-IUODEOHRSA-N	245.366	4.520	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc(C2CCC2)s1	2244712009	JONDXAFGABOXDX-SNVBAGLBSA-N	236.380	4.635	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1ccc(Cl)c(C)c1	2244786123	ZSQURRZPMRSVMR-SMDDNHRTSA-N	240.774	4.508	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCSc2cccc(N)c2)C1	2246724198	CNDNKPAEPHDSJY-OLZOCXBDSA-N	249.423	4.577	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@]1(N)CCCCC1(C)C	2247163927	HYCWOXBGPOVTOA-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)CCCCC[C@H]1C[C@H]1C	2248813680	HERGDBVZVAHNPX-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1(C(C)(C)C)CCC1	2250351666	FNVJUGDHRMSQEP-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H](CC)CCC	2250363718	BADHMBXYKYPJPQ-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC1(C)CC2(CCC2)C1	2250370979	KDIASDWWKGZSJQ-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](C)C1(CC[C@H](C)CCCC(C)C)CC1	2250482645	VIBABVHEEDFKCD-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCNC1(C(C)C)CC1	2250490557	AWIZWJDDHLAGFU-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)NC[C@@]12CCCC[C@@H]1CC2	2251135035	AGOCNIUSLAZFKC-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@H](O)CC(C)(C)C)C1	2251536758	UCKRTKHSQWQMCH-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCC1CC(C)C1)CC(C)(C)CC	2251750702	LHPGYZPTPQCZMO-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C=C(C)C)C[C@H]1CCCCC12CC2	2253834030	VMQPAQUQNJJDKR-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C[C@@H](N)C[C@@H]2CCCC23CC3)CC1	2255229683	RYXFOJWHSUGVFP-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(NCC2CC(C(C)C)C2)cc(C)c1C	2258249816	XKSKPYZISANKRE-UHFFFAOYSA-N	245.410	4.706	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2C[C@@]12CCC[C@@H]1CC2	2260602833	KVUSHAQGMGSYIV-CPUCHLNUSA-N	241.378	4.556	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@]23CCC[C@@H]2CC3)C1	2260650188	BQYGWSVDRPHNQR-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2260673315	RKERKSZBOZSYFO-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)CCNc1ccnc(C(C)(C)C)c1	2260752458	MYACGDCNLRCSOI-ZDUSSCGKSA-N	248.414	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H](C)CC1CC1	2298850618	IPZRBKJYLYHUSQ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCC1)[C@]1(N)CCCC(C)(C)CC1	2298947996	KGDFWVBQTZLNII-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCCC[C@@H]1CC	2300683624	LQBZSPYJNDPELC-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@H]1CCC[C@@H](CC)CC1	2300908148	ABBYMUPSYREDQZ-PMPSAXMXSA-N	237.431	4.667	0	10	BJAE	
CC(=CCC[C@H](N)CC(C)C)CCCC(C)C	2300927117	RVZYQXMTAGCKIW-INIZCTEOSA-N	239.447	4.913	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)[C@@H](C)[C@H](C)C(C)C	2301833572	SKNMBGWEQLXOMA-QKPAOTATSA-N	241.463	4.560	0	10	BJAE	
CC(C)CC[C@](C)(N)CCCC1=CCCCC1	2302330609	DHAOPGJKRGSRCY-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@@H](C)C(C)C	2302360573	CESDJAUUDKPONY-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@@]2(C)CCCCN2)C1	2302532650	VZQYHDYWDMSZQW-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CC(C)(C)CNC(C)(C)C)C1	2302710992	VECZXOIQYFLVQM-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)CC2(C)CCCC2)C1	2302751977	YZEABUAVASFVJJ-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1CCC(C)(C)C1)C(C)C	2302901203	HFSCWPHUZCLACA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)CC[C@H]1CC[C@H]1C1CC1	2303147416	OAULIMYQXQMDGJ-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C)(c2nc([C@H]3C[C@@H]3C)cs2)CC1	2307683627	NAGZCCYBRYDXIW-WVIDZAQPSA-N	249.423	4.734	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(CNC(C)C)C(C)C	2307831226	IYGZQGYBTQAQMK-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
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CCc1cc([C@@H](O)C2(C)CCCCC2)ccc1C	2314698924	DFMZBOZFIVWWLR-MRXNPFEDSA-N	246.394	4.561	0	10	BJAE	
CCC1CCC([C@@H](C)NCC=C(C)C2CC2)CC1	2315274368	WCHLQQPNUMZHLD-HPUBIQBYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1cc(C)cc(F)c1	2316539507	LCGUGBUXOYELIT-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
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CNC[C@@]1(CCCC2=CCCCC2)CCC[C@@H]1C	2318584354	ZQHKUQQTNUUANQ-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
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Cc1ccc([C@H](N)CC[C@H]2CCC(C)(C)C2)cc1	2319316379	BJECAWSRFULJMX-GOEBONIOSA-N	245.410	4.601	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C	2320209224	QECRMWSVOSPRCR-OAGGEKHMSA-N	249.442	4.548	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H]2CC[C@@H]2C(C)(C)C)c1	2320256058	PMOLOTKPAVPNPJ-HOCLYGCPSA-N	246.394	4.755	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCC(C)=C(C)C2)CC1	2320264850	CBKWDQDZSKBRNW-JCYILVPMSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCCC[C@@H]2C)CC1	2320423315	LKKPFLIHWYAFKF-NUEKZKHPSA-N	248.410	4.908	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1cccc(C2CCC2)c1	2320649866	GXUUXORWPGRLBP-AHIWAGSCSA-N	246.394	4.670	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC(C)(C)C1)[C@@H]1C=CCCC1	2321634917	WMRQWJQBSIJUKQ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CCC2(N)[C@H]3CCC[C@H]2CC3)C1	2321649689	PVXAWYCIPURSAY-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1	20523087	GSYBWLYTUGDQSG-ZIAGYGMSSA-N	247.426	4.679	0	10	BJAE	
Clc1ccc(NC2CCCCCCC2)cc1	20556380	SQVLOXRDOOESST-UHFFFAOYSA-N	237.774	4.865	0	10	BJAE	
CC(C)C[C@H](C)Nc1cccc(C(C)C)c1	21010897	NOGVFMOMMSHWSS-ZDUSSCGKSA-N	219.372	4.657	0	10	BJAE	
CC[C@H](Nc1cc(F)ccc1F)c1ccccc1	21517569	VRMOGLXLVFHSCQ-AWEZNQCLSA-N	247.288	4.528	0	10	BJAE	
CC(=O)c1ccccc1-c1ccc2ccccc2c1	38069682	SMJREIXGXBULGV-UHFFFAOYSA-N	246.309	4.709	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(C)cc1	71126045	WJQIRFZUXKTATC-AWEZNQCLSA-N	219.372	4.623	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CCC)CNC(C)(C)C	71126982	GMGHOBUIKUDXQC-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC[C@H](C)CC)c1ccccc1	80425090	YUTAVLKOEIKDIM-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
C[C@H]1C[C@@H](Nc2ccccc2Cl)CC[C@H]1C	82835907	RTQURESBDDXKOK-WOPDTQHZSA-N	237.774	4.577	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccc(Cl)cc2)[C@@H]1C	82857311	HFAFOFWOVPRZFS-MISXGVKJSA-N	237.774	4.577	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](C)c1sccc1C	83863758	FRYWWKLOWAGJRI-DRZSPHRISA-N	239.428	4.532	0	10	BJAE	
Cc1cc(C)c(-c2cc(C)nc(Cl)c2)c(C)c1	84074801	VAJGHGYNTSOZFM-UHFFFAOYSA-N	245.753	4.636	0	10	BJAE	
CC[C@H]1CCC[C@H](C[C@@H](C)CNC(C)(C)C)C1	84140613	ILYGKVOEZMFOMW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](O)c1sccc1Cl)C(C)(C)C	87623260	BFJNAGVFNGVWCU-SCZZXKLOSA-N	246.803	4.507	0	10	BJAE	
CCC1CCC([C@H](CCC(C)(C)C)NC)CC1	87937341	VJTATWPEDJIAHL-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCC)C1CCCCCC1	87947681	XVIKUNKXGGOSIX-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CN)CC[C@H](CC)C1	87998686	OAMXPYUEQYAMJH-HRCADAONSA-N	239.447	4.748	0	10	BJAE	
CC1(C)CCC(NCC2CCCCCC2)CC1	89560369	LENQHRIINKTCGJ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC)c1ccc(Cl)c2ccccc12	93656220	QFZZKMXNQULJCK-OAHLLOKOSA-N	247.769	4.554	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)c1ccccc1	94984424	VBTXKQVNNOOPPC-HNNXBMFYSA-N	247.426	4.944	0	10	BJAE	
CNc1nc2c(C(C)C)cccc2cc1C(C)C	110312755	LWYJGARJZZVUPZ-UHFFFAOYSA-N	242.366	4.523	0	10	BJAE	
Fc1ccccc1-c1ccccc1C(F)(F)F	112731994	QHSOHSUWPOKULN-UHFFFAOYSA-N	240.199	4.512	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](N)C1CCCC1	127282404	NDIINNJWFMRDOU-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)c1cccc(Cl)c1Cl	143306975	DXRFZZRMFOCNMV-ZETCQYMHSA-N	203.112	4.507	0	10	BJAE	
C[C@H](NC1CCCCCC1)C1CCCCCC1	149728024	CQVTUYQDYYQCSW-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CC(C)Cc1cccc([C@H]2CCCCCC2=O)c1	166128222	CWUCWDMKUBJRCH-MRXNPFEDSA-N	244.378	4.502	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C1CCCC1	167497995	HZWZKKQQQBBAMB-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](c1ccccc1C1CCC1)C(C)C	169029079	HKBPYOSJYZVSRG-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H](C)n1sc2ccccc2c1=S	207081508	JRMBAUUDSSQCQO-SECBINFHSA-N	237.393	4.793	0	10	BJAE	
C1=Cc2ccccc2/C1=C\C1CCCCC1	209233492	CZKSBMAAYAVIFI-QINSGFPZSA-N	210.320	4.677	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC[C@H]2C(C)C)cc1	214457463	ZSKOVMJUUBUWMI-IRXDYDNUSA-N	245.410	4.876	0	10	BJAE	
Clc1cccc(Cl)c1-c1ccsc1	217506590	DQSOWIJOFLNYGN-UHFFFAOYSA-N	229.131	4.722	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1C	220568839	WIXBAGNIWRYZIA-IVMMDQJWSA-N	231.383	4.540	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@H](C)[C@@H](C)C1	220648572	DXBYBNSVDXBBBD-DUVNUKRYSA-N	245.410	4.794	0	10	BJAE	
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CCCN[C@H](CCCC(C)C)[C@@H]1CCC[C@@H]1C	226879989	QJURHLNIOGIZFU-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
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CCCCCC[C@@H](NC)c1cc(C)cc(C)c1	229472871	OZDVJPAEKVUKIM-MRXNPFEDSA-N	233.399	4.534	0	10	BJAE	
Cc1ccc(N[C@H](C)CC2CCC2)c(Cl)c1	229672668	PMGPEEUEXSIEHY-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC[C@@H]1CC	229698383	RFMFVBMIHDKHRI-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CCC1CC1)C1(C)CCCCC1	233166084	ZMSLZVRCCPXNBF-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCOc1cc(C)ccc1N[C@H](CC)CCC	233240857	ZQWXOKGAWNSUJX-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
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C[C@H]1CC(C)(C)C[C@@H]1Nc1cccc(Cl)c1	235547820	WRFYMPBCIHEDJH-GWCFXTLKSA-N	237.774	4.577	0	10	BJAE	
CC(C)n1c([C@@H](C)C#N)cc2cc(Cl)ccc21	259982197	JLKWLQCZJZJBPQ-JTQLQIEISA-N	246.741	4.503	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccccc1C1CCC1	302450386	VCNJQQIRBXGRCX-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
Cc1c(F)cccc1N[C@@H](C)CCC(C)(C)C	302491050	IZIJGDHOLVDTGX-NSHDSACASA-N	237.362	4.761	0	10	BJAE	
Cc1cccc(N[C@@H]2/C=C/CCCCC2)c1C	302499737	TZDNSTXZLXJSKH-WCLQSUPFSA-N	229.367	4.604	0	10	BJAE	
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C[C@@H]1CC(C)(C)C[C@@](N)(CCC2CCCC2)C1	305894728	BMDUCVCWCGCYER-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)C[C@@H](C)CC(C)C	305928391	JELLFTNHXQGXEW-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C1(C)CCCCC1	305930306	JNZJIRYTNRIIRP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Clc1cc2ccc(Cl)c(Cl)c2s1	307109163	MSOOEMGMPUKAOL-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
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CC[C@@H]1CCC[C@H](N[C@H](CC)C2CCC2)CC1	324621358	CIGANLNECFIJGY-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
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CCCc1ccc(NCC2(C)CCCC2)cc1	379924753	RXIFUSHSXCWKLX-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCC1CCC([C@@H](O)CC2(CC)CCC2)CC1	380104833	YGOMNGDOORWJAW-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C(=O)C[C@@H](C)CC(C)C)c1ccccc1	380654466	ORZQOSGRXLSVAS-HOCLYGCPSA-N	246.394	4.822	0	10	BJAE	
CCC1(C[C@H](NC)c2cc(C)ccc2C)CCC1	381415074	ZLMSXJMKTAFSLX-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCCC[C@@H](N)C[C@H](C)C1CCCCC1	381886696	PNNGVUPPSIFWNT-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
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CC(C)c1ccccc1[C@H](O)C1C(C)(C)C1(C)C	386314985	KBTTYVZKFOUSGQ-AWEZNQCLSA-N	246.394	4.526	0	10	BJAE	
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CC[C@@H]1CCCC[C@@H]1NCC(CC)(CC)CC	391165432	IUQLVKDQVNQQAP-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H](CNCCC2=CCCCC2)C1	394604957	HAEUASNDNZNIAR-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
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CC(C)c1cccc([C@H](O)CC(C)(C)C2CC2)c1	688901741	VZKWIIAOALXSQN-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1CCCCC[C@H]1C	689807428	LGXNSANFXKUWHP-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H](C)CC1CC1	690188066	CBMIBJUZJUPSCY-CYBMUJFWSA-N	245.410	4.720	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1ccc(F)cc1	691167371	OQZUZQCHWFHOBV-WFASDCNBSA-N	235.346	4.597	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1CCC12CCCC2	694472679	JVHDGZYRNXNIBP-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccc(F)cc1C	696671445	HWXRELBMDDAKEL-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCCc1ccccc1OC[C@@H]1CCC[C@H](C)C1	699494475	XCJQHFVLAMXLSZ-LSDHHAIUSA-N	246.394	4.844	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1cccc(C(C)C)c1	701563178	ZBIKDNWGEZDDFA-HNNXBMFYSA-N	233.399	4.507	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CNC(C)(C)C)C[C@H]1C	703339371	COQBIVVGNXGSTQ-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@@](C)(N)CC2CCCCC2)CC1	704889083	LYHMUOBCAKJRBD-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
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CCCN[C@H](C[C@H](C)CCC)[C@H](C)CC(C)C	709195487	IUBYWIWMGSDDLW-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)C(C)(C)CC	711180475	CEGWLNLHOUSNMM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)c1csc(Cl)c1	713127564	IRBAFMMGSOUOHA-SNVBAGLBSA-N	246.803	4.507	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CCC(C)=C(C)C	718505373	HCQWZVYDCMJQTC-LSDHHAIUSA-N	225.420	4.523	0	10	BJAE	
CC(C)=C(C)CCNCC[C@H]1CCC[C@H](C)C1	718522502	ZSMSBVHRYKFYNA-GOEBONIOSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CCC(C)=C(C)C)CC1	718576079	CGGJRAYSYHLXEA-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCC(C)=C(C)C)CC1	718695245	UMWALQWBLWCFFO-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C(C)C)[C@@H]1CCCCCC1(C)C	719221947	VGINJOWFSCKELA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CCCC1CC1	720160091	UCKRZEUCTLBSTA-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@@H]2C[C@@H]2CC)CC1	723145197	ZRIZOWODESVLQH-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H](C1CCCCC1)C1CC1	723949636	SYGPLGQGLGIPGW-DYVFJYSZSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C2CCCC2)C2CC2)C1	723960021	MFJKGQAFSKVYEO-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCN(C(C)C)[C@H](C)c1ccsc1	1307854182	HAZIXCBZJSNHLB-CYBMUJFWSA-N	239.428	4.566	0	10	BJAE	
Cc1ccc(SC[C@H]2CCCC[C@H]2C)s1	1613865534	DMFHYMHFSXDAAU-ZYHUDNBSSA-N	240.437	4.975	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H]1C[C@H](C)CC(C)(C)C1	1656865608	NQUAJTSWPQKLML-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)CC(C)(C)C	1900695572	HCEMHBNYHSSHAZ-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC1CCCCCC1	1901063599	MFAKEOKYDBHSAA-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](c2nc([C@@H]3CC3(C)C)cs2)C1	1901906272	CWKPMOVZLHJJNA-MXWKQRLJSA-N	235.396	4.560	0	10	BJAE	
CCC[C@@H](N)CCCC[C@@H]1CCC(C)(C)C1	1903427961	JMERVTRWWABDOF-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCC[C@H](C)C1	1905303246	JHPJKTVAMYSXRQ-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C1(C(C)(C)C)CCC1	1909637935	YKLNEDHTEGVRAU-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
O=C1CCCCCCCC[C@H]1C1CCCCC1	1913390777	SCICDTMKUZFOEW-HNNXBMFYSA-N	236.399	4.886	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1C(=O)C[C@H]2CC[C@H]1C2	1916090531	MREVVAKTMOHUFK-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H](C)CC(C)(C)C	1919508745	SXIJMJPLWODKBG-HIFRSBDPSA-N	228.420	4.780	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CC1(C)CCCC1	1919947392	JKYQNHOXPSDMII-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@@](O)(CC(C)C)c1ccccc1	1920026801	IGKXVJABNNEYNX-RDJZCZTQSA-N	248.410	4.603	0	10	BJAE	
CCCCCC[C@](N)(CC(C)C)c1ccccc1	1920484698	RCXNJVWCFHNWJX-KRWDZBQOSA-N	247.426	4.857	0	10	BJAE	
CC(C)(C)c1ccccc1OCC[C@@H]1CC1(C)C	1921468568	FLWJFBUISULPPF-CYBMUJFWSA-N	246.394	4.799	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC[C@H]2CCCC23CCC3)CC1	1921601002	GKOCYVVURPLSEQ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
NC1(CCC2CCCCC2)C[C@H]2CCC[C@@H](C2)C1	1923479559	ULNPAILYVGPVKU-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@H](C)C1CCCC1	1924103173	FPJHWXGERVMRIB-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCNCCC1CCC(C)CC1	1926159512	LVEJAVLFMAUENN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cc(Cl)sc1C	1933605506	QIBQQYMQVZYEEJ-SNVBAGLBSA-N	245.819	4.536	0	10	BJAE	
Cc1sccc1C(=O)[C@H](CC(C)C)C(C)C	1936210456	XPUMCQKUVSBZBD-CYBMUJFWSA-N	238.396	4.558	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H](C)CCC(C)C	1937167861	KXRGBUXXNVLWEO-KBPBESRZSA-N	226.404	4.844	0	10	BJAE	
CCCCCC[C@H](CC1CC(C)C1)NCCC	1940682513	KOXJJUZORLTFRX-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)CC1CCC1	1941586233	JOCGSAWSOJOCSL-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)NC1CC2(CCCCC2)C1	1941801088	YEVTVXPEIQUFCH-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@@H](C)CCC(C)C	1942660502	QTIOGDPGUSFJLV-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1[C@@H](Oc2cc(C(C)C)ccc2C)[C@@H]1C	1945669752	RPJVXUMGFIPXHW-XPKDYRNWSA-N	232.367	4.542	0	10	BJAE	
CCN[C@H](C)C(C)=CC(C)(C)C1CCCCC1	1946179434	BUEVQNPWLSIYHI-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1C=CCCC1	1947552709	QZBZVNIORSSMSL-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@@H](C)CCC(C)C	1948846641	GBOMKSZTUXHDEH-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC(C)=CCC[C@]1(N)CCCCC[C@H]1C(C)C	1949018395	CLLPBDLCUFLUPP-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC2CCCCCC2)C1	1949499073	ZJUANQQLHQNKTG-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@@H]1CCC(C)(C)C1	1949552714	TUKSNEPUBIWTEB-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C1(O)CC2(CCC(C)(C)CC2)C1	1950544425	ULFLBYHPOLIWRI-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC=CC[C@@H](C)c1ccccc1OCC(C)C	1951308499	HWNMCQUKPBFKGR-CQSZACIVSA-N	232.367	4.791	0	10	BJAE	
CC(C)C1CC(C[C@H]2C=CCCCC2)C1	1960633306	FFYUVLOUEMDTPP-NFOMZHRRSA-N	206.373	4.805	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCCCC[C@@H]2C)C1	1963183056	PUDBFDXZSVNMDD-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCc1cccc(C)c1NCC1CC2(CCC2)C1	1968262240	HZXQJPIYBOIZOL-UHFFFAOYSA-N	243.394	4.550	0	10	BJAE	
CCC(C)(C)CC1(O)CCCCCCCC1	1980352611	VVFFGWYVPNAHEV-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CCC(CC)CC[C@H](O)c1ccccc1Cl	1980680828	KHVIVFKRORMYSI-AWEZNQCLSA-N	240.774	4.590	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)C(C)(C)CC	1981286702	GTPBXWDTANURGV-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
C/C=C/CCCc1cccc(C(F)(F)F)c1	1984606943	NWFBACBHAXSJNY-NSCUHMNNSA-N	228.257	4.604	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CCC1CCCCC1	1989803566	QECRRONMUCMDFZ-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H](C)C1CCC1	1990094033	RAMQNICEFUCTDL-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](CC1(CCC)CC1)NC	1990647889	XTHHYHLHPCHZGQ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1ccc(C)s1	1995263897	SSSDZPGJKMDLND-WCQYABFASA-N	239.428	4.663	0	10	BJAE	
C[C@H](N(C)C1CCCCC1)C1(C)CCCCC1	1995968859	AKNLXCAEXURPBK-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@]1(C)CC=CCC1	1997551860	NOXZZHAKSAZFOD-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CCCC(C)C)C1=CCCCCCC1	2000256686	VRULYHDHGCGESR-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C(C)C)C(CC)(CC)CC	2000388266	RWBUQLJKDVAGIZ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@H](NCCC)C1(C(C)C)CCC1	2000389283	BNNJXHYNLNVOHV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@H]1C)C(CC)(CC)CC	2000389998	JAUSAONPXNOYDC-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C[C@H](C)CCC	2000513224	KHPMEKKPGOPEIF-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCCC[C@@H]1O)C1CCC1	2003110310	CIUISURBUJWKOH-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@@H]1CCCC2(CC2)C1	2003275539	OGOAGPDGJHCJMJ-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@@H]2CC[C@H]21	2004797503	OGZJYVTZNOQNSK-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@]1(CNCC)CCCCC1(C)C	2005584405	WJISDPMTOWACJY-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)CCC1CCCC1	2005588438	DZOYKGGUKHITGE-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@@H](NCC)[C@@H]1CCCCC12CCC2	2005603779	HVLWWCJLDGBIPP-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(O)(CC2CC(CC)C2)CC1	2007759408	GYTMUSJOWBSBQU-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H](C)C1CCCCC1	2007854777	HJLANBOSHZPDDI-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1N[C@@H](C)C[C@@H]1C1(C)CCCCCC1	2009056813	OJIKVIFQUDRUAR-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@H]1CC(CC)CC	2009406334	GGAYSRVCBUSSSH-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1CCC1(C)CC1	2009534823	JRAHHLBGZFQUHN-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@@H](CC[C@H]1CC1(C)C)NCC	2009616233	HCMZMBSRPVSVAM-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](O)C1=CC[C@H](C(C)C)CC1	2010716010	CXWITUCYDWPDPU-HOCLYGCPSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C)[C@](C)(O)C1=CC[C@@H](C(C)(C)C)CC1	2010718606	BYNWTGYATZBDNY-ZENOOKHLSA-N	238.415	4.556	0	10	BJAE	
CC=CCCCN[C@H]1CCCCC[C@@H]1C(C)C	2011444531	TUXLGOBOCMANRT-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](CNC(C)C)(C(C)C)[C@H](C)CC(C)C	2012416698	MTYYJGPWHVXHAU-HZPDHXFCSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCCC2(CC2)C1	2013267564	RNKAYZIWAGYDHU-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCCCC(C)(C)N[C@H](C)[C@]12CCCC[C@@H]1C2	2013529339	WECGRLZQQOHPME-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2CCC2(C)C)c(C)c1	2014904536	WDXBZHKZGRGNPO-KGLIPLIRSA-N	231.383	4.540	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2CCC2(C)C)cc1C	2014905214	XSRXSXTXNWQENZ-HIFRSBDPSA-N	231.383	4.540	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)c1cc2ccccc2s1	2015277519	HRCIHPRJSONXKX-AAEUAGOBSA-N	247.407	4.583	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CC[C@H]1CC(C)C	2016144104	IIJMHKPEBJKQPL-JYJNAYRXSA-N	237.431	4.536	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[C@@]1(C)C[C@@H]1C	2016467179	JRUIBRNCXRVFJH-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)C(=O)CC1(C(C)(F)F)CC1	2016681693	FPMRWQTVQOZOIF-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCC1([C@H](N)CC2(C(C)C)CCC2)CCC1	2017142995	ZMQVJJAYUKCDNN-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H](C)C1CCCC1	2017476211	VLMHVFACUDUGAO-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H](CC)CC(C)C	2017478542	SGLXCXLZDNJHFS-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(C)(C)C[C@H](C)N)CC1	2017732943	GELZKRAYXQDSON-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(CC(=O)C2CCCCC2)CC1	2017765164	HXMKEGWOIDDLFT-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCNC[C@](C)(CCC)CC1(CCC)CC1	2018983389	WCZOQMBGXYWBTK-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](C)CN(C)[C@H](C)C1(C)CCCCC1	2019284777	DARIICITGPEJQV-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H]1CCC[C@@H]1C	2020535501	ICFGRGPRRFRFJK-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccccc2C2CC2)C1	2021026281	PLMDWWQRNQPUJP-GXTWGEPZSA-N	229.367	4.555	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2C[C@@H]2C(C)C)cc1	2022478715	WBKXLXHTEPCPGW-GOEBONIOSA-N	231.383	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC(F)F)NCCC	2023129044	FCUBLLWGRVRTOO-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)C[C@@H]1CCCC(C)(C)C1	2024091287	HAWXQMLAACEEHW-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC[C@@H](C)C(F)F	2026170513	QEPOPXYEQKTREK-XQQFMLRXSA-N	249.389	4.602	0	10	BJAE	
C[C@H]1CCC[C@@H](c2nc(CC3CC3)cs2)CC1	2026537598	GLYAQIRKZFSBKC-WCQYABFASA-N	249.423	4.779	0	10	BJAE	
Cc1ccc(N[C@H]2[C@@H](C)[C@@H](C)CC[C@H]2C)cc1C	2027793129	KJINJEGIHYGQTQ-UICACZKSSA-N	245.410	4.786	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)CCC1CCCCC1	2027887147	SXJTVCDQPJBNHH-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)c1ccc(C2CC2)cc1	2028589492	ADELPAKRXYELBC-OAHLLOKOSA-N	245.410	4.636	0	10	BJAE	
CC1(C)CC[C@H](CN)[C@H](CC2CCC=CCC2)C1	2028875903	RONRIYFWKNKLIW-HZPDHXFCSA-N	249.442	4.524	0	10	BJAE	
CCC(CC)[C@H](NC)c1ccccc1CC(C)C	2028915576	QHZDPXZWTZTYQV-KRWDZBQOSA-N	247.426	4.582	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C(=O)C1CCCCCC1	2029600554	NCEKWOPGKGVIAM-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCCC1)NCC1(C2CCCC2)CC1	2029736169	MKKCBZOCEPUMBD-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)CC1C[C@H](C)C[C@@H](C)C1	2031820125	WODBMAPXFNSRPK-CHWSQXEVSA-N	244.378	4.640	0	10	BJAE	
C[C@H]1CCC[C@H](NC2(C3CCCCC3)CCC2)C1	2033056524	FWWXWVALFLKFQR-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC1(N)CC(C2CCCCC2)C1	2033782762	NVFOZUNSEFPOKA-PMRDFSHISA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCC2(CCCC2)C1)C1CC1	2034372291	VNEPTPXENXBNPS-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H](C[C@@H]2C=CCCC2)C1	2035592125	OEMYJOJLJBHPIY-QXSJWSMHSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCC1)[C@H]1CCCCC1(C)C	2035603250	YWNHCRFVYMDHFX-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(C2=CCCCCC2)C1	2037094730	RZARKPJHRIFHMV-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC(C)(CCC1(N)CCC2(CCC2)CC1)C1CC1	2037167472	WNZQGXJLQGQSNY-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@@H]1C=CCCCC1	2037273369	RAKMJEZGWFNJIH-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H]([C@@]2(N)CC(C)(C)CC3(CC3)C2)C1	2037588079	UUFSNEYHIJCUKI-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@]1(C)CC=CCC1	2042018061	AXXHFCVSNDEJAI-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H](NC[C@@]2(C)CC=CCC2)CC(C)(C)C1	2042071819	KDYYBFBJNIOTLO-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CNC2CC2)CC=CCC1	2042098304	GSRMESMAVHBOQT-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
C=CC=CCC[C@@H](NCC)C1CC(C(C)(C)C)C1	2043002639	PTEUQVGPIFBONK-UYSNPLJNSA-N	249.442	4.559	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1N[C@H](C)CC1=CCCCC1	2043194925	QDDLSYDOPBTGQI-PNBKFKSVSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@@H]2CCC=CCCC2)C1	2045305763	RZEHKCLWWLDXHC-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)C1CC(C)(C)C1	2045316577	FOLZBUNCUJSUPF-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H](C)CCC(C)C)cc1C	2045559564	ZZIVUESRBAEGKA-GFCCVEGCSA-N	246.394	4.867	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CC(C)=C[C@H](C)C1	2045560179	KICSBUFRMYRQOO-XZDPQHSOSA-N	248.410	4.764	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1CCC12CCC2	2047958843	LVAJRTOFHXTNCN-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
N[C@H](C[C@H]1[C@H]2CCCCC[C@H]21)C1CCCCCC1	2048451703	SBEIOUDVUJVOGO-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](C)NCC2=CCCCC2)CC1	2049413843	BPOYBWIIMWECOL-UQPPLGOBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C[C@@H]2CC23CCCC3)C1	2049527445	BZUPADZOMADAQQ-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H](C)c1ccco1)[C@H]1CCCC(C)(C)C1	2049528960	MVGLCMVQLITSSQ-MJBXVCDLSA-N	249.398	4.535	0	10	BJAE	
C[C@H](NC[C@@H]1C=CCCC1)[C@H]1CCCC(C)(C)C1	2049539537	HPZWFFLBOBNDLT-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CN(C1CCCCCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2	2049784189	HPSJBBXYBSVCBO-YQQAZPJKSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@H]2CCCC3(CC3)C2)C1	2049953020	BIUBLTGVFLYDDG-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@H]1CCN1CCCC12CCCCCC2	2050416990	MDLOSGURHAQRLZ-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](CC[C@H](C)CC(C)C)c1ccccc1C	2050461159	QWSVTEJIEXDYGR-WMLDXEAASA-N	247.426	4.718	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CC(=O)c1cccc(F)c1	2050494730	LVJAIHXDLSIMAR-CHWSQXEVSA-N	248.341	4.615	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(CN)CCCCC23CC3)C1	2053418313	MBWZFUKDZFZYNI-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)C[C@@H](C)C2CC2)cc1	2057345913	LCVYMUONTINIPW-AHIWAGSCSA-N	246.394	4.670	0	10	BJAE	
Fc1ccc(C[C@H]2C=CCCCC2)c2c1CCC2	2057857659	RCNZHFHFUPJYPA-ZDUSSCGKSA-N	244.353	4.603	0	10	BJAE	
CC=CCCC[C@H](NC)c1ccc(C(C)C)cc1	2059225772	QXCGQUHNFNHXRO-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@]2(N)CCCC2(C)C)CC1	2061112805	JGAHELCSSGCDTM-GUYCJALGSA-N	249.442	4.667	0	10	BJAE	
CC1(CCNCC[C@]23CCC[C@@H]2C3)CCCCC1	2061572783	TWDANXOZEJEGSB-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCCCCC12CC2	2062019723	WSFHXSPAKZDHCL-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CN)CC12CCC(CC1)CC2	2065333186	PKHGVFNYPDHJMN-OTBWCIGPSA-N	249.442	4.502	0	10	BJAE	
CC[C@](C)(CCC=C(C)C)Oc1cccc(N)c1	2067109817	HQLFSILOEWQYGJ-MRXNPFEDSA-N	247.382	4.563	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCC1	2068701607	FDUSMWZBBBESRP-ZSOGYDGISA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H]2CC[C@@H]3CCCC[C@H]3N2)CCC1	2069343657	BNIJYHNPQNWSHO-HRCADAONSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)C1(CNC2CC3(CCCC3)C2)CCC1	2071939046	VQSYLMUCEKISBI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](C)(NCC23CCC(CC2)C3)C1	2072609434	WRBRLRNYNIOYHC-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](CC)CC1)c1ccco1	2072803867	MPXDDPMHJKDDMS-KKUMJFAQSA-N	249.398	4.537	0	10	BJAE	
CCCCC[C@](N)(CC)c1ccc(C(C)C)cc1	2073339531	HMSRPXNIIMDWTL-QGZVFWFLSA-N	247.426	4.954	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@]2(C)CC=CCC2)CC1	2074644086	NAPONSDJZLIRKV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC=C(CC)[C@H](NCC)C1CC2(C1)CC(C)(C)C2	2077184464	JMCMTHWQCYOVAE-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1NC[C@H]1C[C@H]1C1CCCCC1	2079638505	CVMYUMYRZVLLIL-CVEARBPZSA-N	243.394	4.623	0	10	BJAE	
CCC1CCC(N)(C[C@@H]2C[C@H]2C2CCCC2)CC1	2079666771	SPXPILTVEWYACH-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
C1CCCC([C@@H]2C[C@H]2CC[C@@H]2CCCCN2)CC1	2079670847	NYCPNIRKXOVHKX-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@]2(N)CCC[C@@H]3CCCC[C@H]32)CCCC1	2081132495	JYRAVXQCLGRFBU-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
CC(=C[C@H]1CCCC(C)(C)C1)C1CCC(N)CC1	2082979379	NEJKLIFLMWTZAZ-QQFBHYJXSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1NCCCC1=CC1CC(C)(C)CC(C)(C)C1	2082985605	IHJWZTKEMZHIRM-ZDUSSCGKSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1C2(CC2)C12CC2	2085941009	NERIHNPXQBSUMZ-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C=Cc1ccccc1	2086056089	FURJAZHRZCFCNR-DOTOQJQBSA-N	245.410	4.634	0	10	BJAE	
CC(C)c1cccc(N[C@H]2C[C@H]3CCC[C@H]2C3)c1	2086154856	XYJCITAJJBRBSN-QRTARXTBSA-N	243.394	4.801	0	10	BJAE	
CC[C@H](C)C(=O)CCCCCCCC1CC1	2212446440	ODLHRVWTMPLQJL-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CC)CN[C@H](C)CC	2212585955	YAVNNACSXOUFQV-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)CN[C@@H](C)CC	2212598619	XVMRSHZJRYGYGR-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(-c2cc(C)c(Cl)c(C)c2)c(N)c1	2212867725	DORGZJYDFAPNIN-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC[C@](O)(CCCCCCC1CC1)C1CCC1	2213575151	CEYFTUVEKUCCJT-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CCCCCCC2CC2)C1	2213580148	XPTMWOYOXJWDJC-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@H](CCCC(C)(F)F)NCC	2216273422	XBFQENOVSUYUAQ-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CC[C@H](CC(=O)CCCCC(F)F)C(C)(C)C	2216519249	VMMJMLPUVSBDNB-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
CCCCCC[C@]1(CN[C@@H](C)CC)CC1(C)C	2217153352	LGDQPLXJQYKROT-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CCC12CCC2	2218719088	VJXPJMTYZWIQGL-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC)C/C=C/c1ccccc1	2219081168	GMQNQDACWGNNRX-FMUPAYBXSA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@@]12CCCC[C@H]1C2	2220044490	IRORFHIDRAJAAB-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@H]1CC[C@@H]1C	2220525499	GNQJAKCNEXVOMY-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C1CCC(C[C@@H](CNC2CCC2)C2CCC2)CC1	2223549330	SLQZLJSXUVPKCA-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NCC1(C2CC3(CCC3)C2)CCCC1	2223573132	LTBYFVUUGJCUCU-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CCC1(CNC2CCC2)CC2(CC2)C1	2223584984	ZYHSFVNOXYOEAP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1ccc2occc2c1	2224188384	PDVOLMVSTSFDHZ-AWEZNQCLSA-N	246.350	4.683	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)CC(C)(C)C)C1	2242770875	TYFDPBBAKGKBLU-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1c(C)sc(C)c1C	2244779590	DPKWUUWRDNQZFR-OCCSQVGLSA-N	240.412	4.533	0	10	BJAE	
Cc1cc(C)cc(NCCCC[C@H]2C[C@@H]2C)c1	2247112851	BODSRBSBEUJVNH-GJZGRUSLSA-N	231.383	4.542	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CO)CCC12CCC2	2247353980	IPIAURVUVCFINH-ZBFHGGJFSA-N	238.415	4.536	0	10	BJAE	
CCCC1(C(=O)CCCCC[C@@H]2C[C@@H]2C)CC1	2248811197	ZLEDOXMYTJUXFS-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)CN[C@@]1(C)CCCC(C)(C)C1	2250377646	GRHRGDNWKCYNCM-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CNC1(C2CCCC2)CCC1	2250379317	SGNAGMLEXWREEO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cccc(C(C)C)c1	2250384289	MJJSWNKJLGPORK-CJNGLKHVSA-N	233.399	4.636	0	10	BJAE	
CCC[C@H](C(=O)C[C@@]12CCC[C@H]1CC2)C(C)C	2251158684	PEERVKKZGGGKLB-DZKIICNBSA-N	236.399	4.598	0	10	BJAE	
Clc1ccccc1NC[C@]12CCCC[C@@H]1CC2	2251159241	SBHPNXXKFGYGRE-IUODEOHRSA-N	249.785	4.722	0	10	BJAE	
Cc1cc(C(=O)C[C@@]23CCC[C@@H]2CC3)c(C)s1	2251163427	QLGBYSISPJGEFB-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
CC(C)C1CC(C(=O)C[C@@H]2CCCCC23CC3)C1	2253833869	UDRBDBAUTDGHIS-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@@H](CC[C@H]2CCCCC23CC3)NC)CC1	2253856799	QXDWDRYFRKHXHI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)C=CCCC2(C)C)C1	2253938034	YSAJNIRBXYMVNP-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
Cc1ccccc1C(=O)CCCCC[C@H]1C[C@@H]1C	2254537826	SIVWFWSIICSDHJ-GJZGRUSLSA-N	244.378	4.784	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@@H]1CCC[C@@H]2C[C@H]12	2254568332	GNGLCORCNFGFAX-RUCLQGLUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(CN)CCCC12CCC2	2254586734	PFDVAHPSCZJXQI-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC23CCC3)C1	2254963385	UJIUIYPKWYFVGQ-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C1(C)C(C)(C)C1(C)C	2255141223	QOMBVLOZEMHWKR-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc([C@H](N)[C@@H](CC)CCC)cc1	2259431636	VVGRUGLICQBLOM-DOTOQJQBSA-N	247.426	4.855	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(C)c(OC)c1C	2259462993	BSHANGJFWQTFRB-CQSZACIVSA-N	249.398	4.550	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@]12CCCC[C@H]1CC2	2260486264	JAFPLZAJLQWTIX-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@]12CCC[C@@H]1CC2	2260488175	HPOIXXFSJMNBQK-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@]23CCC[C@@H]2CC3)CCC1	2260512846	QHRCRKNOZPZEPC-DYVFJYSZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](CC2=CCCCC2)[C@@H]1N	2261445075	MONABSUGSGDVSY-CABCVRRESA-N	249.442	4.667	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@@H](C)CC1CCC1	2298858048	LPWKSPSSFVHZNV-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCCCCC2(C)C)C1	2298875914	LQIPJGUEKPANOR-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCC(CC)CC)CC[C@H]1C	2300677276	XWSBTZNNRIHHMS-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)c1cc(C)cc(C)c1	2300698824	CIYWAGANNCIVRG-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CC1([C@](C)(O)CC2CCCCCC2)CCCC1	2301135315	IWKMIKYBYRALDX-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)CC1CCCCCC1	2301242494	STNIULLAPOLDII-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)NCC(C)(C(C)C)C(C)C	2301835186	DIKPCZVHVIIFAX-LSDHHAIUSA-N	241.463	4.575	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@H](C)[C@H](C)C(C)C	2301839240	XXYWLYUBEJEAOU-HUUCEWRRSA-N	241.463	4.704	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@@H](C)[C@@H](C)C(C)C	2301842999	GECRFQNXQGNBRO-ILXRZTDVSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H]1CC(C)(C)[C@@H]1C	2302148807	WGAUREUWNFMIPA-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@H]1CC[C@H]1C(C)(C)C	2303510346	HZXUVPIDWAPZFJ-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
c1sc(C2CCCCC2)nc1C1CC2(CC2)C1	2304455463	RWFRIHZSOODACU-UHFFFAOYSA-N	247.407	4.848	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)[C@]12CCCC[C@@H]1C2	2307826965	SLMZFUNRDOSINZ-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H](CC(C)C)C(C)C	2307905777	ZGADMNQSFHHCIG-JYJNAYRXSA-N	241.463	4.848	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	2308400762	PHNYRNBFAPNXCJ-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)C[C@@]12CCCC[C@@H]1C2	2311148201	RXYHUZKAHLZURP-HDEZJCGLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1C[C@H]1C1CCCC1	2311538089	ZBDLMFJSYSCMHY-RRQGHBQHSA-N	249.442	4.514	0	10	BJAE	
N[C@@H]1C[C@H]2C[C@@H]1C[C@@H]2CCCCCCCC1CC1	2312598659	BZBIVKGYZIHTKM-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC[C@@H]1CCCCC12CC2)[C@@H]1CC[C@H](N)C1	2312667412	KEIJMPDGQSULRD-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312958391	QGFGDCQVRWVOHL-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCC1	2313186125	DAFNHJIHZQCUCV-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@]1(C[C@@]23CCC[C@@H]2CC3)CCCCCN1	2313353211	KHEVBDXRRXQBEN-IKGGRYGDSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H]([C@H](C)CC1CCC1)[C@H]1CC=CCC1	2313584590	QZPDRZOFMZBIKD-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@@H](C)CC1CCC1	2313588069	SCELYWUFKHFOEZ-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CCC1CC(CNc2cc(C(C)C)ccc2C)C1	2315870364	BMTJAPHUOHJPIQ-UHFFFAOYSA-N	245.410	4.967	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@H](C)c1ccccc1	2315954405	QQMAUHVOEPGAKR-RDJZCZTQSA-N	247.426	4.724	0	10	BJAE	
CCC(C)=CC[C@H](NC)c1cc(C)c(C)cc1C	2316504076	SOJMRJLVDVPCCR-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C[C@H]1CCC[C@@H]2C[C@@H]21	2316537564	SLADLOWMHSPRLW-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCCC1	2316880770	ZDHCZBCZKWNCFJ-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1[C@@H]([C@]2(N)CCCCC23CCCC3)CC1(C)C	2318269540	GIAVMMZLHGAGIZ-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC=C([C@H](CCCCC2CC2)NC)CC1	2318876783	OYHKIZCHVJBVBS-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@](CNC(C)C)([C@@H]2CC2(C)C)CC1	2320265776	MWOFTFSRGBZGEB-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1cccc(C(C)C)c1	2320587420	UOYJDTKZUBVXLZ-RHSMWYFYSA-N	248.410	4.916	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CC[C@H]2CC(C)C)c1	2321081090	BSVGCGPZAKDDPP-XJKSGUPXSA-N	249.373	4.625	0	10	BJAE	
C[C@@H](CC[C@@H]1CCC(C)(C)C1)c1ccc(N)cc1	2321608609	QMDHEUOQTKDZRG-UONOGXRCSA-N	245.410	4.979	0	10	BJAE	
CC1=C(C)C[C@@H](NCC[C@@H]2CCC(C)(C)C2)CC1	2321629050	XHLJIXDZBQJRAE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCCCCC(C)(O)CCCCCC	1758141	XUOGBGWENVRPAJ-UHFFFAOYSA-N	214.393	4.678	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@H]1Nc1ccccc1	20566393	NDBXJOIZNNNALU-GJZGRUSLSA-N	231.383	4.703	0	10	BJAE	
CCC[C@H](N)c1ccc(C(C)C)cc1C(C)C	21500509	MECCFFPJDHMUNY-INIZCTEOSA-N	233.399	4.733	0	10	BJAE	
CC(C)(C)c1ccccc1NC1CCCCC1	32150874	OLRNQABQSVROHA-UHFFFAOYSA-N	231.383	4.729	0	10	BJAE	
CCCCC[C@H](NCC)c1ccc(CC)s1	35537459	ZQHYBHYWANKDCR-ZDUSSCGKSA-N	239.428	4.541	0	10	BJAE	
CCN[C@@H](C)c1ccc(C(C)C)cc1C(C)C	35548489	UPHHXGGLVWDHSU-ZDUSSCGKSA-N	233.399	4.604	0	10	BJAE	
C[C@H](Nc1ccccc1C(C)(C)C)C1(C)CC1	36956548	PFUNMTXSPUPOIF-LBPRGKRZSA-N	231.383	4.585	0	10	BJAE	
CCC[C@H](C)CN[C@@H](CCC)c1ccccc1	37062367	NDJYDFAZQUEDDK-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
C[C@H](Nc1ccc2c(c1)CCC2)C1CCCCC1	37200565	YQTWZXUYQJRTCT-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
CCc1ccc([C@@H](C)Nc2cccc(F)c2)s1	41202478	WBIWDYIQRKCLCW-SNVBAGLBSA-N	249.354	4.623	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(C)c(F)c2)C1	71105869	BPXBIYYQDPPEOT-STQMWFEESA-N	235.346	4.515	0	10	BJAE	
CCCCC[C@H](O)c1ccc(C)c2ccccc12	79905627	CEEAIUHFYABIPX-KRWDZBQOSA-N	242.362	4.762	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2ccc3c(c2)CCC3)C1	79970924	YFQVNJVDFGDBEM-MRXNPFEDSA-N	243.394	4.556	0	10	BJAE	
C[C@H]1CCC[C@H]1Nc1ccc(Cl)cc1Cl	83389613	LMJHGICVVLMYJZ-GZMMTYOYSA-N	244.165	4.594	0	10	BJAE	
Cc1ccc(NC2C[C@@H](C)C[C@@H](C)C2)cc1C	84462307	NHHBADNNBVKPCM-HBBFGDNQSA-N	231.383	4.540	0	10	BJAE	
C[C@H]1C[C@@H](CCC(=O)c2ccccc2)CC[C@H]1C	85037978	VWRJVFZZGQZJRC-QLFBSQMISA-N	244.378	4.722	0	10	BJAE	
CC(C)c1ccc([C@]2(N)CCC[C@H](C)CC2)cc1	86884092	RKYATLYULGGVDG-YOEHRIQHSA-N	245.410	4.564	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C2CCCCC2)CC1	86938519	BERUAXCHMAMJQS-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H]2CCC[C@@H](C)C2)c1	89604365	GRGWGTNQDJJWBB-IUODEOHRSA-N	231.383	4.542	0	10	BJAE	
C=C=C(c1ccc(C(F)(F)F)cc1)C(C)C	106488824	KRQSGZGOLDKQLV-UHFFFAOYSA-N	226.241	4.530	0	10	BJAE	
CCC1CCC(CN[C@H](CC)c2ccco2)CC1	109917301	LOAGYGLEIXAGGR-YMAMQOFZSA-N	249.398	4.537	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](C)c1ccc(C)c(C)c1	111664476	BYMGCGKIGFJJKZ-GJZGRUSLSA-N	247.426	4.779	0	10	BJAE	
CC(C)C[C@@H](C)NC1CCC2(CCCC2)CC1	129252891	NEVWKGNIDUHHPT-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@H](C)c2ccccc21)C(C)C	136962992	SPVFMDXRSRIRIX-JQFCIGGWSA-N	245.410	4.649	0	10	BJAE	
CCNC[C@H]1CCCCC[C@H]1CCC(C)(C)C	155781173	ZEOHMKIHRUQHSG-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](/C=C(/C)C[C@H]1CCCCN1)CC	157320999	UGIXZNDJKCWWJE-YNLMUAPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1ccccc1C(C)(C)C	162502530	LONPHWIWCKJVKX-XJKSGUPXSA-N	247.426	4.681	0	10	BJAE	
CCCN[C@H](CC(C)C)c1cccc(CCC)c1	165733888	UHMOXYZGDBNCQT-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCC1CCC(C(=O)C[C@H](C)C(C)(C)C)CC1	166192510	MCSPSTIAHTYKPF-HSBZDZAISA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](c1ccccc1)C(C)C	212662737	TXXIJDRKJVGHRT-IRXDYDNUSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)c1cccc(CC)c1	228856161	QFZSODGOCPBHTL-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
Cc1ccc([C@H](C)NCC(C)(C)C(C)C)cc1C	232764585	CGZUNPRKUOQKKB-HNNXBMFYSA-N	247.426	4.636	0	10	BJAE	
CCC[C@@H](CC)NC[C@@H](c1ccccc1)C(C)C	233287039	XVOTYFXJOKOKHW-IAGOWNOFSA-N	247.426	4.595	0	10	BJAE	
CC[C@H](c1c[nH]c2ccc(C)cc12)C(C)C	233821550	LMCQVSLXCXWGOD-LBPRGKRZSA-N	215.340	4.626	0	10	BJAE	
CC[C@@H](NCC1(CC)CCC1)c1ccc(C)cc1	233901304	SPNORELMQGKJJN-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C1=CCCCCCC1	300132512	GHZACKHAHZYBMO-GOEBONIOSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](NCC)[C@@H]1CCC[C@H](CC(C)C)C1	300309595	PFRONVIRJBDQSE-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CCCC1(C)C	300900536	QUFNSZDREJOHBA-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCc1cc(NCCCC(C)(C)C)ccc1C	302265321	GEHYQAROAPFHQJ-UHFFFAOYSA-N	233.399	4.796	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC(C)C)C(C)(C)CC	302421028	UHPNGBKGIWFHLI-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC(C)c1csc([C@H]2CCCC(F)(F)C2)n1	304155036	IZKLETWUKSNYIC-VIFPVBQESA-N	245.338	4.559	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)[C@H]1CCCCC1(C)C	305920030	LRJGLUQPZXKDCF-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C[C@@H]1CCC[C@@H](C)C1	308032223	PJQMRYVTOKIIQV-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CCCC(C)(C)CC1	309984832	DTNRBAONRMMEOZ-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc(N[C@H](C)CCC(C)(C)C)cc1C	310298260	MTWAINCMPCIJQM-CQSZACIVSA-N	233.399	4.930	0	10	BJAE	
CCCN[C@@H](c1cc(C)cc(C)c1)C1(CC)CC1	310828908	YNGRANFICJEIJC-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)c1cc2ccccc2s1	319545996	IVFKFNGOSUHTHC-RWSFTLGLSA-N	247.407	4.583	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cccc2ccccc12	319965942	DJUOEGLTXKAJCL-CHWSQXEVSA-N	240.346	4.705	0	10	BJAE	
CCC[C@H](Nc1ccc(F)c(C)c1)C1CCC1	322250413	CPZGBLPJKFFWLU-HNNXBMFYSA-N	235.346	4.515	0	10	BJAE	
CCC[C@](O)(c1ccc(C(C)C)cc1)C1CCC1	322526162	KUIHTCPWCQXTHZ-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCC[C@@H](NCCCC1CCCC1)C1CCC1	322720158	STLZUKKPBLYQSH-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](N[C@H](CC)c1cccc(C)c1)C1CC1	324087346	IVNADAZUGRZKGZ-IAGOWNOFSA-N	245.410	4.614	0	10	BJAE	
CC(C)CNCCCCC/C=C\c1ccccc1	324136355	LFOFZLYEIPJMSW-XFFZJAGNSA-N	245.410	4.506	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)CC/C=C\c1ccccc1	324213466	XXIJZHFWWKMUIV-KTDOTMJKSA-N	245.410	4.503	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCCC12CCCC2	328125460	SZKKCLCWBQGNPH-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)CC1CCC(C)(C)CC1	380236102	ZAVPYQINFLZOGU-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC/C=C(\CC)Nc1cccc(C)c1C	380458935	XMZJYMQALRRLTR-GXDHUFHOSA-N	217.356	4.809	0	10	BJAE	
CC[C@](N)(CCCCCC(C)C)c1ccccc1	383187473	OFLZRGODZGEYIJ-KRWDZBQOSA-N	247.426	4.857	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC(C)(C)C[C@@H]1C	383460949	AUSKVKHOVVMBIA-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC(C)NC[C@@H](C)CC[C@@H](C)C1CCCCC1	384051108	RTDNBKPIAQCCJY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)CCC1CCCCC1	384801157	YAIVNSBFJJZGAW-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
O[C@@H](CC1CCCC1)c1ccc2sccc2c1	386518755	DIWSNFVGIQNQBO-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CC[C@H](NCC1(CC)CCCC1)C1CCCC1	387394356	BLYSJHGHVKICMT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(NCCC2CCCCCC2)ccc1F	394614626	JEUYPVAJUFTFGI-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
Cc1ccc(NCC2(C)CCCCCC2)cc1F	394681406	YIUSZQIGNVJEDY-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@@H](C)CC(C)(C)C	405771405	ZZFKRDFAZKNULW-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)c1ccoc1C	688418398	MRPIXJSWCSVTEJ-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H](Nc1cccc(C2CC2)c1)[C@@H]1CC1(C)C	690112189	UMOSMLIUXRLFAL-JKSUJKDBSA-N	243.394	4.801	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCCC1(C)CCCC1	691090664	SLJUQTCCMKWHIO-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](C)C1CCCC1	691168636	BOOBDBLLSMCNCT-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1CC=CC1)NCC	692062308	SJIPHAAABMKJGC-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)C(F)(F)CC	692394579	DJPAXBFPDAEXDH-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](C)C[C@@H](CNC)C1CCCCCC1	696854829	UYOFJDZZVSCHHS-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@@H](N)CCC(C)(C)C)C1(C)C	699043472	RNLYIILJQRBFQZ-DVOMOZLQSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H]([C@H](CC)c1ccccc1)C(C)(C)CC	701135430	ANTVFKLWBCKBCP-CVEARBPZSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CCC(C)(C)CC	704827541	IJSGVIVMUNQQBG-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCNC[C@]1([C@H]2CCCC[C@@H]2C)CC=CCC1	704833978	FVKULZZKGBCNGN-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@@H](C)CC(C)C	709179544	WEHQHVYJRNZBTJ-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H](C)CC(C)C	709271430	IOFUWORZMABGRC-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC1([C@H](N)C[C@H]2CC3CCC2CC3)CCCC1	709435859	OPVRIFIKWPIBAP-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)c1cscc1Cl	710428739	WFBAPNHCGPUJKR-SNVBAGLBSA-N	246.803	4.507	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H](C)c3ccccc32)cs1	710706466	VTYDPXGHIDWLOM-ZUZCIYMTSA-N	243.375	4.717	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(O)C[C@@H](C)C(C)(C)C)c1	710795220	ARJDLZVLSPTYNX-PBHICJAKSA-N	248.410	4.583	0	10	BJAE	
CCCC[C@H](C[C@H](C)C(C)(C)C)NC(C)C	710818570	FCALBWKYZVJITE-UONOGXRCSA-N	227.436	4.616	0	10	BJAE	
CCc1cccc(C(=O)C[C@H](CC)C(C)(C)C)c1	711184690	LTYMPYQRPOTYQY-HNNXBMFYSA-N	246.394	4.894	0	10	BJAE	
CCc1cccc(N[C@H]2CC(C)(C)CC[C@H]2C)c1	713061099	PMUJLCAFGVLAJB-CJNGLKHVSA-N	245.410	4.876	0	10	BJAE	
CCO[C@@H]1C[C@@H](CCC(C)=C(C)C)C1(C)C	718789458	WAPPYGPQULLWSN-ZIAGYGMSSA-N	224.388	4.574	0	10	BJAE	
CC1=CC[C@H](N[C@H]2CCCCC23CCCC3)CC1	1205944525	ZCZFYHDJWOYPJF-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC(=O)c1cc(-c2cc(C)c(C)cc2C)cs1	1244627040	PKBMSNZHTLPDSX-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CCCc1ccc(C(=O)C(C)(C)CCC)s1	1900662848	YWXAGOXRPHFOGZ-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2CCC[C@H]2C)CC1	1905574566	OLHQIONKVDRRLH-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](O)CC1CCCCCC1	1908555368	KHYFUYFKLXVKAA-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C=CC=CCCc1cc(C(F)(F)F)ccc1C	1912055544	IQRHTYRRRBAKHX-UHFFFAOYSA-N	240.268	4.689	0	10	BJAE	
CC(C)c1cccc(NC2CC3(CCCC3)C2)c1	1912729308	PVNXKBCNBSVWAP-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CCCC=CCN[C@@H]1CC[C@H](C)c2ccccc21	1914672533	NAPLUTWKMGMISS-WMLDXEAASA-N	243.394	4.571	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCC2(CCCCC2)C1	1915871238	QGLVTXXYKQKMKG-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@](O)(CC)CCCCCC1CC1	1919472114	BCLNXTHINDVGHE-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC(C)(C)C(C)C	1919960825	PMSLCMPOMBEWBU-DZGCQCFKSA-N	228.420	4.636	0	10	BJAE	
CCCC1CC([C@H](C[C@H]2C=CCCC2)NCC)C1	1921288245	UDMDDSRJZYAMCO-OTBWCIGPSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H]2CCCC23CCC3)C1	1921497077	LWUFKFWBOMNIIG-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
Clc1ccc(C[C@H]2C=CCCCC2)s1	1925879102	HYECWOFWMWMEHU-JTQLQIEISA-N	226.772	4.690	0	10	BJAE	
C=CC=CCCc1cccc2sccc12	1931298522	AJDCGJGOQWUQKV-UHFFFAOYSA-N	214.333	4.576	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC1(C)CCCCC1	1935622320	FTCSPFOGTMSMIC-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H](CC(C)C)C(C)C	1936211205	PZGBAWKMBRNRBV-AWEZNQCLSA-N	224.388	4.620	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)Nc1cccc(Cl)c1	1939045894	FGQIZHKHJUFFGG-NWDGAFQWSA-N	239.790	4.823	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@H]1CC[C@@H]2C[C@H]12	1940620790	GCFAKVVQQQKRAI-IIAWOOMASA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)[C@H](O)CCC[C@@H]1CC1(C)C	1940881903	HSNHQFWWHXERSL-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC(=CCCCCC(C)C)c1ccc(N)cc1	1940964517	BPSQWYUJPLMMRN-UHFFFAOYSA-N	231.383	4.889	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1(C)CC(C)(C)C1	1941980341	PQLRTUBLFBMEGH-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CCC[C@@H]2C)C1	1944798077	WWOHFNHQPHOCFU-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)c2ccc(C3CC3)s2)C1	1945579633	QVLCIGKSTWNDEH-LLVKDONJSA-N	248.391	4.635	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](O)CCCCCC2CC2)C1	1945582072	KEANDITYIOWTAB-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CC1(CC)CCC1	1948979497	PDRBJTFBADSYSO-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@H](C)C1CCC1	1949039075	AOLCOQSRBJYZRR-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@H](C(CC)CC)CCC1(C)C	1949652518	DWHKLDLFUJOZKS-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@H]1CC12CCCCC2	1950662053	OIPSOGFWPOPCSM-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)[C@H]1CCCC(C)(C)CC1	1950920514	WFRZZZSKVGGMQZ-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C)CC(=O)C(CC)(CC)CC	1959914647	ONDQEJJPASGTEX-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
C[C@@]1(CCC2CC=CC2)CCCC1(F)F	1960756323	GMCMZXWAGLLOIP-LBPRGKRZSA-N	214.299	4.558	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@@H]1C1CCCC1)C1CCCC1	1967828346	RHOMREZOTKFODS-IXDOHACOSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(NCC2C[C@H](C)C[C@@H](C)C2)c1C	1968250312	LIFKUTPYTGJJOT-CHWSQXEVSA-N	245.410	4.788	0	10	BJAE	
CC1(CN2CCCC3(CCCC3)C2)CCCCC1	1969898974	JGLNCINRTDPLMP-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](CCC(C)C)C1CC1	1970829282	PRMLWSMBMADEBT-CVEARBPZSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCC[C@@H](CNC2(C3CC3)CCCC2)C1	1970872420	ZGJCIJZHFYJZDW-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1(CCC)CC1	1990577345	JYJJYHZVFTWNGK-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@@H](C)C1(C)CCCCC1	1995989132	ULCOVGXWFKLCQB-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCCNC[C@@H]1CC[C@@H](C)C1	1996222913	OKEJSSXJGUKYJV-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2CC[C@H](C)C2)CC1	1996236049	DOUIXYFVMARRDX-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)CCC2CCCCC2)C1	1996237470	LFILVAVETWIKNR-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H](C)c1ccccc1	1996613808	WPMFMGLKNMVEFQ-ZDUSSCGKSA-N	232.367	4.576	0	10	BJAE	
CCC[C@H](C)[C@]1(N)CCCC2(CCCCC2)C1	1996647806	RHWHRRPMIQAHQX-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCSc1ccccc1N[C@@H](C)C1CC(C)C1	1998650869	PNXLBCZCENFHTN-CPCZMJQVSA-N	249.423	4.645	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(O)C1CCC(CC)CC1	2002928561	YSFOZNCZMPSYAU-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCCCCCC[C@H]2O)C1	2003112277	SLPNMQXBURDBGJ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1CCCCCCC[C@@H]1N	2003119255	UPXZAYLZNLTQFZ-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CCC1CCCC1	2004229244	RUZLBXPTYWDIRD-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)[C@@H]1[C@H](C)CNC1(CC)CC	2004706642	OZYHZWHFDFKEHG-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
c1sc([C@@H]2CCCCC23CCC3)nc1C1CC1	2005567354	PYSNAPBSTJPHCQ-LBPRGKRZSA-N	247.407	4.848	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCC[C@@H]1C(C)C	2007623539	VBWJSKXZAZRPNJ-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
CC(C)(C)CCC(=O)C1(C)CCC2(CC2)CC1	2007682770	FSRAURKQYXGFMS-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H](CC)C(C)C	2007941192	ZERKJRYEIYWQOT-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C/C=C/C[C@@]1(CNCC)CCCC(C)(C)CC1	2008071175	BXJNAQPHZDQYRK-BIENSFFJSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCC(C)(C)CCC1=O	2009404147	KWDIXDRTDULHCY-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCC(C)(C)CC[C@@H]1O	2009420690	QNNQQXCFJYEHSF-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](NC)C1=CC[C@@H](C(C)(C)C)CC1	2010712631	JTVHCNNJXRMYFO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](O)CC1=CC[C@@H](C(C)(C)C)CC1	2010714027	PEQPSWNLRNRIAZ-HUUCEWRRSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1	2011989667	LZRQIVWVGQVAFJ-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@@H](O)C[C@@H](CC2(C)CCCCC2)C1	2012059207	HZRWPDUWRFGMKQ-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)C(=O)C1CC2(C1)CC(C)(C)C2	2012119581	WGPOQEWBCZMNGW-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(F)c(F)c1	2013264367	MNPQRGOTYQNFLB-NSHDSACASA-N	241.325	4.592	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H](C)C1(C)CCCC1	2014338496	OWPFNTPFDBDTTR-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCC1([C@@H](CC2(CC)CCC2)NC)CCC1	2015597989	ODLGOQOCBHLJGV-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@@]2(C)C[C@@H]2C)CC1	2016300209	ALDPMGVNWRFECV-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCC1(C(C)C)CCC1	2017131468	QBSMNGIARAOJFV-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H]1CCC[C@H](CC)C1	2017487797	UBASYMMOQYUPNW-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CN[C@]1(C)CCCC(C)(C)C1)C(C)(C)C	2017622942	MJAAGPVKRVNIQH-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)CC1CCC(CC)CC1	2017722568	QMJUKZFUAMDJNQ-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@H]1CC[C@H](CC)CC1	2017730204	FGJQYWJEGFYKQT-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](CC)NCCC[C@@H]1CC1(C)C	2018131749	PSMIYVFDNFWENE-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)N(C)C[C@H]1CCC=CCCC1	2018181590	LPCIUBBEEVKYKA-JKSUJKDBSA-N	237.431	4.633	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H](C)CC(C)C	2018188351	MIZHNMKUHLRAHJ-CVEARBPZSA-N	241.463	4.959	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CC[C@@H](C)[C@H](C)C1	2019127330	SARXISNUEAWISH-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
CCN(C[C@H]1CC[C@H](CC)CC1)[C@H](C)C(C)C	2019484850	WODYWEFCSYRVEO-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
CCCN(CCCC1CC1)C1CCCCCC1	2020504525	PGDGWUSGPKYLPI-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1C[C@@H]1CCC)NCC	2022485817	UOVSODPHMZKDBL-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1C[C@@H]1C(C)(C)C)C(C)(C)C	2022557863	RKSHXSAKXZRXEO-BZPMIXESSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](C[C@H](C)[C@H]1CC[C@@H](N)CC1)CC(C)(C)C	2023551719	UVYUXEIEOGDEEV-ZQDZILKHSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1CCCC(C)(C)C1	2024102122	PWTZNVFCCAHTRM-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CSc1ccccc1N[C@@H]1CC(C)(C)C1(C)C	2025020721	POHYICAOHLFLNG-CYBMUJFWSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CC[C@H](C(C)C)C1	2025625371	BEXLZHJVCGHSRR-XHSDSOJGSA-N	239.447	4.616	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)C1CC2(CCC2)C1	2027314578	RHVLOKCPXKYABX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1[C@H](NC)[C@@H](C)[C@@H](C)CC	2027903371	LLUSGLTYSNGCTN-GRDNDAEWSA-N	247.426	4.582	0	10	BJAE	
CCCc1ccccc1C(=O)CCC(C)=C(C)C	2027903755	PMEJEHXFHQSTEA-UHFFFAOYSA-N	244.378	4.958	0	10	BJAE	
C(CCC1CC1)CCN1CCC[C@H]2CCCC[C@H]21	2028638163	XOKMNDRZOAELCM-IAGOWNOFSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)c1occc1C	2028646652	XFAQAUPPXYMZTM-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)C1(C)CCC1	2028898025	QYDSDTGKDIEESV-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)CC1CC(C)C1	2028930751	OTHKJCHJYHPLIT-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
O=C(CCC1CCCCC1)C1CC[C@H]2C[C@@H]2CC1	2028966175	ZFDUXUPRRICLGS-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CC1CCCC1)[C@@]12CCCC[C@@H]1CCC2	2031754370	JMAQDACPUMOYNE-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CCCC12CCCCC2	2032505964	LLKBTCDGWMJVJC-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(C)cc1	2035401004	SKAMKCMOKFWQQO-OIISXLGYSA-N	245.410	4.614	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)c1ccccc1C(C)C	2036374178	HTSMQUDLMUMZPR-YOEHRIQHSA-N	248.410	4.700	0	10	BJAE	
N[C@]1(C2=CCCCCCC2)CCC2(CCCC2)C1	2037076522	VRPCRIFJJIJROH-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
Cc1cc(C)c([C@H](N)C[C@H](C)CC(C)C)cc1C	2037105881	UDAJPVPUQFYHDE-SJKOYZFVSA-N	247.426	4.684	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)C1CC2(CCC2)C1	2037133256	GCOQPLVMJPTMOO-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCCN1[C@@H]1CCC2(CCCC2)C1	2037683821	VQKPPLHMTBIBMA-CVEARBPZSA-N	249.442	4.610	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)c1ccccc1	2038133096	HUHPVHADPGHUKI-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CCNCC(=CC1(C)CC(C)C1)C1CCCCC1	2038886446	SOXIPCOSNJRQSS-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CNC2CC2)CC12CCCCC2	2039006311	OLZXMDDTHIQRSM-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@H]1C(C)=CCC[C@@H]1C	2039439136	XOYRWZIUTUWVGK-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CCCC1(N)CC2(C1)CC1(CCC1)C2	2039464172	PPBZHFOTOYHKKU-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@H](N[C@H]1CCCC2(CCC2)C1)C1CCC1	2041288632	AXVKYQOBJWNALV-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C1CCC(CC)CC1)[C@@H]1CC=CCC1	2042024557	MUBWHOBSCCXTQD-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@]1(CNC(C)(C)C)CC=CCC1	2042095037	WXRAOYHEQNQGPE-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H](C)CC1CCCC1	2043188186	ROIYQIRSWQETKD-HUUCEWRRSA-N	249.442	4.824	0	10	BJAE	
CNC[C@@H]1CCCC[C@@H]1C[C@H]1CCC=CCCC1	2045329011	KJFBNOXSUSXCLA-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2CCC3(CC2)CC3)C1	2045458383	STXBEAFXWJNNOM-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](N2CC[C@@H]2C2CCCCC2)C1	2045519717	KIVQFVQJTPLWTI-HZPDHXFCSA-N	249.442	4.610	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1ccc([C@H]2C[C@H]2C)o1	2045559229	VAPBEAFGIHUMRA-NEPJUHHUSA-N	248.366	4.658	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CCC2CCCCC2)C1	2045561343	XQMIQYUYLMMNLI-CZUORRHYSA-N	248.410	4.908	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@H]1C[C@H]1c1ccccc1	2045608152	GBOWRNSGRUDAJU-GJZGRUSLSA-N	244.378	4.576	0	10	BJAE	
CCC1CCC([C@@H]2NCC23CCCCCC3)CC1	2049347056	YDTLSZDGOWQKCO-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(N[C@H]2[C@H]3CCCCC[C@H]32)CCC1	2049677748	GNEMYPQGWDSHSZ-BJWYYQGGSA-N	249.442	4.658	0	10	BJAE	
CCC1([C@@H](C[C@@H]2CCCC3(CC3)C2)NC)CCC1	2049862264	XUKVQOWPZHRKMV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(NC[C@H]2CCCCC23CC3)CCC1	2053434651	VEBYZFVMZCSOGK-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CCC[C@](CNC(C)(C)C)(C2CC=CC2)C1	2053692911	AMCFRMKZRAKJQQ-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H](Nc2ccc(CF)cc2)CC(C)(C)C1	2055678189	NDOHHWGUFMSKEU-IUODEOHRSA-N	249.373	4.783	0	10	BJAE	
CC1CC([C@](C)(N)C2=CC[C@@H](C(C)(C)C)CC2)C1	2061116419	PWOYCBWLPAONIQ-YHTQSWCFSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CC(=C3CCC3)C2)CC1	2061259221	ZWBKNVDNFGRZHN-CZUORRHYSA-N	247.426	4.578	0	10	BJAE	
C=C=CCCN(C)[C@@H]1CCCCC12CCCCC2	2061553258	KCPDVMMYGJYICL-MRXNPFEDSA-N	247.426	4.543	0	10	BJAE	
CN[C@H](CCCCCC1CC1)C[C@]12CCC[C@@H]1C2	2061614701	WCSHSXAIEXXONB-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)[C@@H](CC1CC(=C2CCC2)C1)NCC	2061721802	BAGJWLIKLXCIOY-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@@]1(C[C@H]2CC=CCC2)CCC1(C)C	2068231351	XKNQZPOPRLQCQG-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCCC1(CC(=O)C2CC[C@@H]3C[C@H]3CC2)CCC1	2069267365	AAKAZIFWYZIHBE-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CC23CCCCC3)CCC1	2069282504	KXRKLGJWWDTUES-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC[C@@H]1C[C@H]1C)C[C@H]1CCC=CCCC1	2072083393	PRMGNXHZWUDREM-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCCCC23CCC3)CC1	2074650041	ZOXSCLMALWKRNQ-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C1CCC2(CC1)CC[C@@H]2N1CCCCC12CCC2	2075013720	WVEJWAJANJOEJG-HNNXBMFYSA-N	247.426	4.508	0	10	BJAE	
CC=C(CC)[C@H](O)[C@H](c1ccccc1)[C@H](C)CC	2077191173	ZUGPYUARIKZDSZ-COXVUDFISA-N	246.394	4.534	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2C[C@H]2C2CCC2)CC1	2079323604	IUSJPCITRWDRQQ-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CCC2(CCCCC2)C1	2079868193	YPXKKRQFECUTCX-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)C[C@H]3CCC[C@H]2C3)CC1	2086167571	GAIUNPLYNPGPJZ-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](NCCCCCCC2CC2)C1	2213582127	DWLRBSJCFHFLIF-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)CC1(C)CC(C)(C)C1	2215395912	NPKQGKWVENEOHY-QWHCGFSZSA-N	240.431	4.636	0	10	BJAE	
CC=CCCC[C@]1(N)CCC[C@@H](C(C)(C)C)C1	2216247287	KXHJZAONOGOXDE-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC[C@](C)(CNC1CCC1)[C@@H](C)CCC(C)C	2217140209	IQCWLVMTAHENHW-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)CCCC(C)(F)F	2217153689	NQDLADHIJAPHAZ-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC1CC(C(=O)C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218375910	XXNGBKVJPQSGHZ-ADHHOBDDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C[C@@H](O)C/C=C/c1ccccc1)C(C)(C)C	2219062515	NGEQXCMYFLKYHY-DOLYSSGKSA-N	246.394	4.523	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@H](C)CCC(C)C)N2	2224122770	ZPYZKPYBWGFBSV-GDBMZVCRSA-N	245.410	4.794	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1csc(C)c1C	2242614674	GEENBVFGIMQAJR-OCCSQVGLSA-N	239.428	4.581	0	10	BJAE	
CCC(C)(C)[C@H](O)CC[C@@H]1CCCCC12CC2	2246628828	AQQZBYGQAJAENL-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)C1CC2(CC(C)C2)C1	2247068043	RBJKLLWROGFVRM-LGGPCSOHSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC)CC(N)(CCCC[C@H]2C[C@@H]2C)C1	2247173616	SZSPDEYYRSBLEC-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](N)CC[C@@H]1CCCC12CC2	2247621931	LWDLMVRNINBBDI-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC[C@@H](C)NC(C(C)(C)C)C(C)(C)C	2247722516	PUVNRCCDOTUCAW-CYBMUJFWSA-N	241.463	4.862	0	10	BJAE	
CC(C)CCCCNC(C(C)(C)C)C(C)(C)C	2247731628	OFWFODVXNAKHJZ-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)CCC(C)(C)C1	2248877782	HJJLWIHVGGXRIM-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccc(C(C)C)cc1	2250363257	ZABCAQZWSQNYAM-BBRMVZONSA-N	233.399	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)[C@@H](C)C1CC1	2250479495	VLHCBPANRYHUQG-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C)CNCC[C@@H](C)CCCC(C)C	2250494547	BVWKIDPEYXKQEL-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@]12CCCC[C@@H]1CC2	2251220068	LGYNTGFZNQHAEU-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251713778	ULUYOFSAOHIAHM-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1ccc2ccsc2c1	2253067121	FRPDKTRIAKFIBY-CYBMUJFWSA-N	247.407	4.727	0	10	BJAE	
CCCc1ccccc1C(=O)CC1(C)CC(C)C1	2253751927	KWUOKLCRQPLICK-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1N[C@H](C)CC[C@@H]1CC[C@@H]1CCCCC12CC2	2253853630	KWDZFUDPBWJOOD-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc2c1N[C@H](CCC1CCCC1)CC2	2253855738	MPYAYNBWKIYOBO-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](CC2CC3(CCCC3)C2)N1	2254043607	VWVHNEQHRVBGSJ-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CNCC2CC3(CCCC3)C2)CC1	2254072529	PBFYOIZYKOZMBS-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCC1(C[C@@H](C[C@@H]2CCCC23CC3)NC)CC1	2255239167	CIOVWTPYOOUDLG-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC[C@H]1CCCC12CC2)CCC1(C)CC1	2255292068	VHHQJVRIXKFPJD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@H]2CCCC23CC3)C1	2255325228	FLWCAANERUXJCB-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
Cc1cc(N[C@H]2CCCCC[C@H]2C)cc(C)c1C	2258233752	RJNIYPJERIWVFW-PXAZEXFGSA-N	245.410	4.993	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@]23CCC[C@H]2CC3)C1	2260522735	YEOJJNZVDAZXLI-CLBVLKOUSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC(CC(=O)[C@@]23CCCC[C@H]2CC3)C1	2260524957	QPQRQMGYRAOFFL-UMPYDWHISA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@]23CCC[C@@H]2CC3)C1	2260652523	RYMOJCXWJABODT-QBPKDAKJSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C(CNc2cccc(C3CCCC3)c2)[C@H]1C	2260663920	UIMKTWROBALMJK-STQMWFEESA-N	243.394	4.658	0	10	BJAE	
c1cc(C2CCCC2)cc([C@@H]2CCCCCN2)c1	2260726054	WGYGTHBQIQSKAL-KRWDZBQOSA-N	243.394	4.549	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298450214	BREYHCVAJJBAGH-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@H]1CCC1(F)F	2299039414	DVTZZWMYRMQIBU-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)CCC(=O)C1C[C@H]2CC[C@H](C1)C2	2300681022	KNFLBSKDNUXAAZ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)C1(C)CCCCC1	2300690086	FIIFYPGZZBGXDE-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCNC[C@]1(CC=C(C)CC)CCCC[C@@H]1C	2300869002	DYNAIYTVECEUCJ-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@H](C)[C@H](C)C(C)C	2301699751	AWCCUXRFSQPJLQ-FPCVCCKLSA-N	239.447	4.568	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H](C)[C@@H](C)C(C)C	2301827431	BFIZQSIMMSMVGN-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1[C@H](Nc2cccc3ccsc23)CC1(C)C	2302083361	OTTJNXHLABJULS-ZWNOBZJWSA-N	245.391	4.748	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](CCCC2=CCCCC2)C1	2302344371	FJQZMJUEELPBSY-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
O=C(CCCCC1CC1)c1ccc(C2CC2)s1	2302574540	OJGFNYIFPCUDKC-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC[C@H]1CCC(C)(C)C1	2304448555	ZMMYJAWWWITJFZ-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1CC(=C2CCC2)C1	2307911147	SKSPDORVBKYGHE-GFCCVEGCSA-N	234.383	4.662	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C1(C)CCC1	2309528477	WUWIMNLINGGILV-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@@H]1C)[C@H]1CC=CCC1	2310433728	DHYMQZUXITVNIW-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)C[C@@]12CCCC[C@@H]1C2	2311161784	JOBSNOVAJCPGMD-BIVLZKPYSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CCCCCC1	2312960733	XJFXWPYRAQBVAF-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C1CCC(C2(C3CCCCC3)CCCCN2)CC1	2316417069	XMBXKTBMBRLSFS-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(=CCOc1cnccc1C)CCCC(C)C	2316492465	STYYREHZZMSMHV-UHFFFAOYSA-N	247.382	4.541	0	10	BJAE	
CCC(C)=CC[C@@H](NC)C1CC2(CCCCC2)C1	2316531981	KVJFYWFUAYESSH-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(=CC=C(C)C[C@H]1CCCN1)CCCC(C)C	2316536037	KYTBCTJRUQANSP-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2316793827	ZIOMASIJBRWTKK-SDADXPQNSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](N[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2316887301	WQAXOFSJMXIPED-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CCCC12CC2	2317921926	DEPVWKABJLTRQW-HNNXBMFYSA-N	247.357	4.694	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@@H]1CCC2(CC2)C1	2318550415	GRQBEVDQTTYIGH-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
NC1(CCCC2=CCCCC2)C[C@@H]2CCC[C@H]2C1	2318558183	RUVIZZFGRSVLHN-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H]1C[C@H](CCCC2=CCCCC2)CC[C@H]1C	2318591657	ANWPDFRZTVNGOE-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H]1CCN(CCCC2=CCCCC2)C1	2318593519	VRSCUFXDAVLVCN-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CNC[C@@]1(CCCC2=CCCCC2)CC[C@@H](C)C1	2318593681	XHVDHXGXKFMPEL-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
NC1(CC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCC1	2318857833	JCJAAJJLJMRWTB-ARFHVFGLSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C[C@@H]1CC12CCC2	2318872332	BBXWODKLESYWFX-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@]1(CC[C@@H]2CC[C@@H]2C2CC2)CCCCCN1	2319752480	YHFNUODZQPHAFY-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(N)CCCC2(CC2)C1	2320255365	NMPXLYLNBFRROC-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@@H]1CCC(C)=C(C)C1	2320330174	WMRPRQGVDSMLME-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
C/C=C/CCC[C@@H](NC)c1cccc(C(C)C)c1	2320515828	HFGMTRJYHRABFZ-FUTAKVPZSA-N	245.410	4.817	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@H]2C[C@H]3C[C@H]3C2)C1	2321621299	DVDLNALYLSIGRU-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H]2CCNC3(CCC3)C2)C1	2321631032	MEEXWWHJANUENA-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1C[C@H]2CC[C@H]1NC2	2325606838	YHQFPKGUAVLSSU-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H]2C[C@H]3CC[C@H]2C[C@@]3(C)N)CCC1	2327773644	MCTNXKFATVEMHN-ZJIFWQFVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1cc(C)c(C)cc1C	2328212086	DMOMEVLZKZTXSW-WBVHZDCISA-N	248.410	4.862	0	10	BJAE	
CC(C)C[C@H](C)Nc1ccc(Cl)cc1Cl	21026968	PQLHZALESWATKR-VIFPVBQESA-N	246.181	4.840	0	10	BJAE	
CCCc1ccc([C@@H](NCC)[C@@H](C)CCC)cc1	35550360	HEBAYUYVZZOWTB-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc2c(c1)[nH]c(=S)n2[C@@H](C)CC(C)C	36898435	IFOLXIPTFSPWMZ-NSHDSACASA-N	248.395	4.614	0	10	BJAE	
CC(C)=CCC[C@H](C)COCc1ccccc1	38221732	AELLHPKZDLHVFJ-HNNXBMFYSA-N	232.367	4.586	0	10	BJAE	
CCCCCC[C@@H](C)O[C@@H](C)c1cccc(N)c1	40908484	QLAPWEUYUDXOTA-KGLIPLIRSA-N	249.398	4.705	0	10	BJAE	
CCCCCC[C@H](C)n1ccc2c1CCCC2=O	41707543	MGIXDCSKIOYWIS-ZDUSSCGKSA-N	247.382	4.539	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](C)c1sccc1C	69637102	UQXWLMXYBAHVGZ-VXGBXAGGSA-N	239.428	4.532	0	10	BJAE	
CC[C@@H](C)c1ccc(NCC(C)(C)C)cc1	71085907	QAFSECKOIWCVRR-GFCCVEGCSA-N	219.372	4.658	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC[C@H](NCCC)C1	80406450	FJIMLMYXKZBUTD-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc(N[C@@H]2CCC[C@@H](C3CC3)C2)c1	81624297	IIFUNTGRHNGMPE-NVXWUHKLSA-N	243.394	4.630	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CC[C@@H](C)C[C@H]1C	85086744	UMMRRBVWWLPXOM-LVQVYYBASA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CCC[C@H](C)CC1	86879668	AKRCYKDCUMVPSF-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2cc(C)ccc2F)C1	87984531	MLYZPBLKZNFFKV-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
CCC[C@H](NC)c1cc2cccc(C(C)C)c2o1	88074839	KMETZZVXGPOUNM-AWEZNQCLSA-N	245.366	4.617	0	10	BJAE	
CCCC[C@H](C)Nc1ccccc1OCC(C)C	109911308	YTBAAGKSEDMHMB-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)c1coc2ccccc12	122989239	JGDWLDOQJLKFRE-DOMZBBRYSA-N	245.366	4.520	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@@H]1CC[C@H](C)[C@H](C)C1	124842877	VJYLCWSUFVHEPR-XNISGKROSA-N	240.431	4.636	0	10	BJAE	
c1sc(C2CCCCCCC2)nc1C1CC1	132003587	AGECKGBULSYQEX-UHFFFAOYSA-N	235.396	4.848	0	10	BJAE	
CCC(CC)[C@@H](NC)c1ccccc1C1CCC1	132642493	JNQBGRLCNXPEIR-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
Cc1c(C)c(C)c(CC(C)(C)C)c(C)c1C	136339741	LMJCPMQRGWSZDE-UHFFFAOYSA-N	218.384	4.817	0	10	BJAE	
CCCCC[C@H](NCCC)C1(CC)CCCC1	159687353	BMHGBZIWDNGRTB-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1(CC)CCCC1	167117333	BBTDKJVVGATSKP-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCCC/C1=C1/CCc2cc(N)ccc21	211457624	MWTGITXAGYYHNL-OPGVCCBYSA-N	241.378	4.569	0	10	BJAE	
CCCN[C@H](c1ccco1)C(CCC)CCC	211821601	BCOUTDWNWXPXBK-HNNXBMFYSA-N	237.387	4.537	0	10	BJAE	
Cc1cccc(OCc2ccccc2Cl)c1C	217402738	KGJIWRIHNAHAJH-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CC[C@@H](C)C[C@@H]1C	222332906	WSNYFTBECHLWTD-QXSJWSMHSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC1CC1)Nc1ccc(Cl)cc1Cl	229668200	YEAJYZVHASLMGK-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
CCC[C@@H]1CCC[C@H](Nc2cncc(C)c2)CC1	232074068	VQHGZANVDBOSNV-CABCVRRESA-N	246.398	4.551	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@@H](C)c1ccccc1	232976403	TWQIKPHVRATRDY-UXLLHSPISA-N	247.426	4.724	0	10	BJAE	
CCC[C@H](C)[C@@H]1CNc2ccc(C(C)(C)C)cc21	233342062	RSTZBTDAUOVJFM-WFASDCNBSA-N	245.410	4.929	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2cccc(C)c2C)C1	235717561	QUFPGOCRJAOCTK-MLGOLLRUSA-N	243.394	4.708	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@@H](C)C[C@H]2C)cc1	249724724	QYIHQQKBYUFHJE-CKEIUWERSA-N	245.410	4.876	0	10	BJAE	
C[C@H]1CC[C@H](N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	253123715	KCJFEERYDPAGFZ-WRQOLXDDSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C[C@@H](C)CC[C@H]1C	300689552	HQDJTMDFBRLDPQ-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CCOc1ccc(Cl)c2sc(Cl)cc12	306534532	FBRKHLSNWZFKSM-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCOc1cccc2sc(Cl)c(Cl)c12	307617764	XMPINUUPXNJIBE-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
C[C@@H](Nc1ccsc1Cl)c1ccccc1	309123231	OPHYDPLTZRFZEH-SECBINFHSA-N	237.755	4.575	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C(C1CCC1)C1CCC1	310693622	SPXCAEMGJRLYSY-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CC1CCC(C)CC1	310995438	MABXVMAYXVJXPU-VDSRIPIWSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CNC1CC1)CC1CCCC1	317700063	BMCBDMLVZYCQPN-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1ccc(C(C)(C)C)cc1	319374243	QPONRPKXAFCLHA-WOSRLPQWSA-N	248.410	4.700	0	10	BJAE	
CC[C@@H](Nc1cccc(Cl)c1C)C1CCC1	322391905	OTQPQFGIRZOPGS-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
C(=C\c1ccccc1)\CC[C@H]1Cc2ccccc2N1	323991701	HGZWLNWWBCRTQC-JDZBVEAQSA-N	249.357	4.517	0	10	BJAE	
CC1(CN[C@H]2CCCCC23CCCC3)CCCC1	380914600	ZHFQUVYGGXVBSN-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1NC1CCC2(CCCC2)CC1	385859920	RTLWGPYHUHGQQP-GOEBONIOSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NC(CC(C)C)CC(C)C	388586342	IGUUGYMFWMXKCS-HOCLYGCPSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C2CCCCCC2)CC1	393219758	FENYVSMOLYBFOO-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
Cc1csc2c(C(F)(F)F)cc(S)cc12	396289604	ACAXCERAKZVPFG-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
C[C@@H]1CC[C@](CNC(C)(C)C)(CC2=CCCC2)C1	401070655	IKEHNKLZBNUGFN-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CC=CCC1)CC(C)(C)C	402113330	BVKBBHKPYPIHFC-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1CC[C@@H]2C[C@H]2C1	403349451	FLMFNKJLWCATHM-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCCOc1cc(C)ccc1N[C@H](C)C(C)(C)C	687710950	PFINGGRPYORQAG-CYBMUJFWSA-N	249.398	4.630	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)CC1CCCCC1	689717920	MOQPWMZBWHDUKT-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCCCC[C@@H]1C(C)C	691164717	JFRWXTPCYDDBJZ-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CCCCCCC(=O)C[C@H]1CC2CCC1CC2	691657033	XHPPWHKLWMHXRP-YMAMQOFZSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)CC1CC=CC1	692108721	WYKMAWKKMDBGKS-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C(=O)c1ccc(C2CCC2)cc1)C1CCC1	692795619	OCIKKSYOYBEVJU-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](C)CC1CCCC1	695063325	UQSDTOHUIYJIMQ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)Oc1cccc(NCCC=C(C)C)c1	697753281	VIURZDCQTZXPCE-AWEZNQCLSA-N	247.382	4.632	0	10	BJAE	
C[C@H]1CC[C@@](C)(C(=O)CC2CCCC2)C1(C)C	699086900	PXFIUBZXZYDFFN-LRDDRELGSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H]([C@H]1CCCCC1(C)C)C(C)(C)CC	701183039	JZCYSJHITPKWOY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@@](N)(CCC1CCCC1)[C@@H]1CC2CCC1CC2	704504645	BOBNMLVWFLUVIT-BHUNQDJPSA-N	249.442	4.501	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)[C@@H]1CCCC[C@H]1C	704807624	CCLUWHMXBLJUJF-CLPJTPEWSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC[C@H]1CCCC[C@@H]1C)C(C)(C)C	704880230	VULYCVJZHPEMQL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CC1CCCCC1	704959846	OSZOIJCLVRWCAE-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)CC1(C)CCCC1	707547322	RSXWBSZXAJQEAA-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@H](C)CC(C)(C)C	709254675	RAAPDHVLAAXCPU-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCC1(C[C@@H](NC)C23CCC(CC2)CC3)CCC1	710046335	HBOIVNGBDJAXRY-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc([C@@H](CC)NCC[C@H](C)CC)cc1	710202093	WUZSIUGQCNQBDL-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CCCNCC1(C[C@H](C)CC)CCC=CCC1	718133256	HCXJMXNCRROHSQ-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CC[C@@H](C)[C@@H](C)CNCC(C)C	718492068	HCHVWFVCCHVKPS-CVEARBPZSA-N	239.447	4.641	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1cc(C)c(F)c(C)c1	718566564	GRJUKZDPINNVMG-OAHLLOKOSA-N	249.373	4.579	0	10	BJAE	
CCCCCC(C)(C)CNCC1CC(C)(C)C1	723593617	SIEFXNYGPAOBEL-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
c1ccc2cc(CCSCC3CC3)ccc2c1	1559418518	GFFMETCGFGGDAH-UHFFFAOYSA-N	242.387	4.526	0	10	BJAE	
CC[C@H](C)CSCC1CCC(F)(F)CC1	1613626860	ARCZVAWNPBAKTP-JTQLQIEISA-N	236.371	4.591	0	10	BJAE	
CC[C@H](NC[C@H]1CCC12CCC2)C1CCCCC1	1875437863	UJTRPAUQERSMOL-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)Nc1cc(C2CC2)ccc1Cl	1900690811	LBPAWPHBWXNQQJ-UHFFFAOYSA-N	237.774	4.818	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCCCC[C@@H]1O	1900700709	JNZWHRPRCSAEDY-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](NCC=C(C)CC)c1cccs1	1900827958	UVSPMOSJFUFIPT-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CC(C)(C)CC	1900843392	SPANPUCREMXMIH-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
Clc1ccc(C2CC2)cc1CC1CC=CC1	1901194739	PUIKZESUSXDIMG-UHFFFAOYSA-N	232.754	4.726	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@@H]1CCC(C)=C(C)C1	1902840705	GMFKIHMMXRASKR-GXTWGEPZSA-N	222.372	4.518	0	10	BJAE	
O=C(c1ccsc1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906536632	DHFYZFHCFYHGFI-FPMFFAJLSA-N	248.391	4.537	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CCC)CC(C)C	1910747867	MGSVNBBOWAMOEJ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC=CCCNC(C)(C)C)C1	1912059545	HFHSBQLPENIERE-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC1CC(C[C@H]2CCCCCCCC[C@H]2O)C1	1913386497	MWTCLZRTXMIIEG-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CN[C@@H]1CCC2(CCCC2)C1	1916442066	JBLKYKLMYNZENY-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@@H](C)C1CCCCC1	1924135260	JHURZNDTQQZHKZ-BBRMVZONSA-N	249.398	4.537	0	10	BJAE	
NC[C@@H]1CCC2(CCC2)[C@H]1CCCCCC1CC1	1924819055	SRQQXQZQBXPRKG-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
CCC(CC)CC(=O)Cc1ccccc1C(C)C	1926175274	HKMZRICGXQOIBX-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)c1csc(Cl)c1	1933557221	SCNSLKNEOYDNQH-UHFFFAOYSA-N	244.787	4.657	0	10	BJAE	
CCCC[C@@H](CCC)Nc1cc(Cl)ccn1	1935602829	WCEDDPXCPOBFQP-GFCCVEGCSA-N	240.778	4.506	0	10	BJAE	
Cc1ccc(O[C@@H](C)CCC(C)C)cc1C	1937175225	WAIZDUBOFUKVCJ-AWEZNQCLSA-N	220.356	4.507	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)c1cc(C)cs1	1939444553	QOHSWKLPWVUYJG-JSGCOSHPSA-N	239.428	4.533	0	10	BJAE	
CCC(CC)C[C@@H](N)c1ccccc1C(C)C	1940615647	DRLUSLBNZPBGKZ-MRXNPFEDSA-N	233.399	4.636	0	10	BJAE	
CCCCC[C@](C)(O)CC[C@@H]1CCCC1(F)F	1940707435	XEWRRVDTPWXKNY-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCCN[C@H](CCC[C@H]1CC1(C)C)[C@H](C)CC	1940873533	RFWFSBWWVFDWFT-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C1CCCCCC1	1940877153	PPZGMTUUEJGCMZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](O)C1CCCCCC1	1941242446	CLDGSLRXNMJWPU-CVEARBPZSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C(=O)CC1CCC(C)(C)CC1)C(C)C	1941267779	WMZSIPZQOODBRM-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2CCC=CCC2)C1	1941793624	QTPLDENLRPSSGV-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)([C@H](C)CCC(C)C)C1	1942659191	RCGTXCFXTDAZQA-OAGGEKHMSA-N	239.447	4.604	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)C(C)(C)C1CCCC1	1944645174	GZSMOKXMYQKUPB-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C(=O)CC1CC=CC1)C1CCCCC1	1944646312	LQIHYNUDSUFTRQ-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Cn1ccc2cccc(Cl)c21	1944799718	RCYDRIIATDTWAX-DGCLKSJQSA-N	247.769	4.731	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@@H]1CCC(C)(C)C1	1945595030	VYIQXVXKMJYPMA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C)c1-c1nc(C(C)(C)C)cs1	1948273745	HAZYGAXOZIZTIB-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
CC[C@@H]1C[C@H]1CC1(N)CCCCCCCCC1	1949022194	FKRUJYDIFKIVGD-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](CC(F)F)C[C@@H](N)C(CC)(CC)CC	1949022821	OLJRIAXHYOCADE-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
CC(C)=CCC[C@]1(N)C[C@H](C)CC[C@@H]1C(C)C	1949024434	KQABSUAYUSQFND-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CCC[C@H]1CC1(C)C	1949050238	ASYFWEIPSNVKLJ-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC1(CCCC[C@@H](O)CC2CCCCC2)CC1	1949912887	POFYYEHLPLWPRB-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](O)C2CCCCC2)CC1	1950913280	GBOKDXCQIYPFFP-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(NC[C@H]2CCCC3(CC3)C2)cc1C	1968254241	DEWJXGBRYZUHLR-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
CCCC[C@@H](CC)CN1[C@@H](C)C[C@H](C)C[C@H]1C	1970139383	UGCKYNNFDLRWBS-LVQVYYBASA-N	239.447	4.712	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)C1	1970678451	GPUWPTMTHABWNI-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(-c2nc([C@@H]3C[C@H]3C)cs2)c1	1970823525	YXEDAQKYVDLCSB-DGCLKSJQSA-N	243.375	4.550	0	10	BJAE	
CCCCCC[C@@H]1CCCCCCC[C@@H]1N	1980352432	VAIWILHGXJOOPG-CABCVRRESA-N	225.420	4.645	0	10	BJAE	
C/C=C/CCC[C@@H](NC)C(CC)(CC)CC	1984649631	OYYABZKAZAZYMO-OAUONFCTSA-N	225.420	4.537	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC(C)(C)C(C)C	1988780001	FUGVYWFBKPMJLU-OAHLLOKOSA-N	225.420	4.523	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)C1CCC(C)(C)CC1	1996595619	XLBFNFKCTRUFSD-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H](C)CC(C)C)NCC	1996616210	KVCXFFHGOWQDIP-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CCNC[C@@H]1CCC[C@@H](C)CC1	1997102782	FIVPKHUZSBFXTA-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(N)C1CC(C)(C)C1	1998649690	MSWNJOAIEPGGKV-WBMJQRKESA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2CCC=CCCC2)C(=O)C1	1999982582	BVUNXCQIZBGFNW-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)[C@H]1CCCC(C)(C)C1	2000055900	FFBYUGTTXXLKHE-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CCC12CCC2)NCC	2001854949	RBLORQHQEPPWJW-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@H](O)[C@@H]2CCCC(C)(C)C2)CCC1	2002972388	SWBHWWNWVGBPKI-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1CCCCCCC[C@@H]1CC=C(C)C	2004227511	MEELMZFLKIGYPI-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@H]1CCCCC12CCC2	2005562438	BDMUJTDQDXPPLK-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)C1(C)CCC(C)CC1	2007695786	WMXTZMIXIXLBFM-PWUWZPNHSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C(CC)CC	2007948552	YDWJYCGNFPOJLL-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(C=C2CCCC2)CC1	2007963899	OJWWBOAHZQSCTN-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
C/C=C/CCC[C@]1(N)C[C@H](C)CCC1=C(C)C	2009574949	YFZZNQKEUBRRPM-CKAOXQASSA-N	235.415	4.587	0	10	BJAE	
CC=CCCCN[C@H]1CCC[C@@H](CCC)CC1	2009594528	RZRWQQYUHRHVJS-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCCC[C@H](NCCC)C1CCCC1	2009625587	AXRBMZIDCOGRCK-WMHVBEDNSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)c1ccsc1	2010719816	MXOMQMVDVGNQEZ-AWEZNQCLSA-N	249.423	4.535	0	10	BJAE	
C=C=CCC[C@@H](NCCC)c1ccc(Cl)cc1	2010987058	FJDGQRMKVWYOAU-OAHLLOKOSA-N	249.785	4.502	0	10	BJAE	
CCC(CC)C[C@@H](O)CCC(C(C)C)C(C)C	2015341198	YGRLZGNVWVTQLC-HNNXBMFYSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(CCC1(CN)CCCCC1)C(C)C	2015344871	MOWUFQZRCMHSKJ-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CC(C)C(CC[C@@H]1CCCC[C@@H](N)C1)C(C)C	2015345791	WTWHSJQYYBSXRJ-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CCC1(C[C@]2(O)C[C@@H](C)CC(C)(C)C2)CCC1	2015596913	XFTDTDWNQWYGMV-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2(CC(C)C)CC2)C1	2015743884	WWNCQASYBUBMGD-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCc1cccc(N[C@H](C)CCC=C(C)C)c1	2016146665	YTXVMLCBDROIEX-CQSZACIVSA-N	231.383	4.796	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)CC1(C(C)C)CCC1	2017114661	ODHUPHBGRBLVTB-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
Cc1cccc(OCC2(C(C)(C)C)CCC2)c1	2017124236	FRYHBAICDLIUEG-UHFFFAOYSA-N	232.367	4.590	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)CC1(C(C)(C)C)CCC1	2017138958	PTUFEJPIIFTGOZ-CYBMUJFWSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H](C)CC(C)(C)C	2017473931	YVPGCGVXDUAMLE-UKRRQHHQSA-N	239.447	4.783	0	10	BJAE	
CCCC1CCC(C[C@@](C)(O)[C@H](C)CC)CC1	2017651376	SNPZOKQMDWWDFE-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)[C@@H](C)CC(C)C)CC1	2017652909	MOCSDWCIAVLZCF-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(C[C@@H](N)C(C)(C)C(C)C)CC1	2017729978	BSZOXVNEQHZXFD-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCC1(C)CCC(C)CC1	2017743209	MSIJREDXFHQESV-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@H](O)CC2(C)CC2)CC1	2017771171	KNDMOHGPOOBMQI-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@]1(C)NCCC1CCCCCC1	2017868089	JXASPVXWOFALTL-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@H]2CCC(C)(C)CCC2=O)CC1	2018925476	UETXZGAPHPUJID-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CC2(CC)CC2)CC1	2018968838	YLKUSKFQOWHSDG-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)C1CCCCCC1	2018997126	XGFOTYGCCYPNSC-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)C[C@H]1CCC[C@H](C)C1	2019171233	BLCNAFSLPUBVHG-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)CCN(C)CCCCCC(C)C	2019342526	ODKNVACZKOHZLL-UHFFFAOYSA-N	241.463	4.961	0	10	BJAE	
CCCCN(CC1CCC1)C1CCCCCC1	2020508312	QWEOOZUZZGFFDP-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC(C)C(C)(C)CNc1ccccc1C1CC1	2021025927	GHENUVZWWXQJGI-UHFFFAOYSA-N	231.383	4.658	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C1(C(C)(C)C)CCC1	2022561589	WGOIVUDQSWPOBY-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)cc(-c2cc(N)c(C)cc2Cl)c1	2023941492	WDNZOJGOBJCNHR-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](NC2CCCCCCC2)C1	2025572965	IUMMIDXBZPCVSX-GOEBONIOSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C1=CC[C@@H](C)CC1	2026170422	PPNCEASLUSXJBW-LZWOXQAQSA-N	237.431	4.667	0	10	BJAE	
CC1(Cc2csc([C@H]3CCC34CCC4)n2)CC1	2026542676	PYJVHADDBYLYQI-GFCCVEGCSA-N	247.407	4.533	0	10	BJAE	
CN[C@H](CCCC1CC1)c1ccccc1C(C)C	2027518631	UCBFWARFCNWCOA-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCCc1ccccc1[C@H](CCCC(C)C)NC	2027902685	BTFWBXKOZABQIG-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCC1CCC([C@@](C)(F)c2ccc(N)cc2)CC1	2027936488	PSQNEDSKBONLHG-SEEARECTSA-N	249.373	4.670	0	10	BJAE	
CC[C@@](N)(CCCCCC1CC1)c1ccccc1	2028637568	RWHMSFOIYBMSCX-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
Cc1cc(C)cc([C@](C)(O)[C@H](C)CCC(C)C)c1	2029835114	CYOTZSUWMANQMO-NVXWUHKLSA-N	248.410	4.583	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H]1Nc2ccccc2C[C@H]1C	2029837157	NHCZMSPKKUHJRZ-VBQJREDUSA-N	245.410	4.732	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CCC2=CCCCC2)C1	2030225294	COUWKNOWPMTAMZ-FOLVSLTJSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C1CC1)C1=CCCCCC1	2032160664	WONXCVAKRXQPDL-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CCC(C)(C)C1	2033388019	PNAUDTZKGZERDG-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H]1CC[C@H]2CC[C@H]1C2	2035048425	AZDZNLUOMUIYNS-PVUWLOKVSA-N	241.378	4.555	0	10	BJAE	
N[C@]1(C2=CCCCCC2)CCC2(CCCCC2)C1	2037100700	GGCRZMVGRRJBRL-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
NC(CCC1=CCCCC1)(C1CCC1)C1CCC1	2037171653	NPAUWKCXWFUFRO-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CC1CC(C)(C)C1)C1=CCCCCCC1	2037973826	DHLJFJIJNIXZPM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)CC1CC2(CCC2)C1	2038079567	XCGDOUDMRFLTRS-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(CNC[C@H]2CCC3(CC3)C2)CCC1	2038580813	XBFXDJNPLBPASL-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CCC[C@H]1CCC[C@H](Nc2cccc(C)n2)CC1	2041500482	VCUQRAOKBCIZGN-GJZGRUSLSA-N	246.398	4.551	0	10	BJAE	
CC1(NC[C@@H]2CCC=CCCC2)CCCCCC1	2045328757	HXZDRFQSIFTQLJ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](C=Cc1ccccc1)CCCC(C)C	2045705148	RPOOABQQIKFSJK-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1	2047345434	JTMPDJJZDSMFTA-NEADZQPHSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccc(O[C@@H]2CC[C@@H]3C[C@H]3C2)cc1	2047350872	VLZUTSRPYXQXHC-DVOMOZLQSA-N	244.378	4.552	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048442718	GVSPZBFVDLSISI-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H](N)c2ccccc2C)C1	2050461590	XEGGNMZRANTENF-INMHGKMJSA-N	245.410	4.601	0	10	BJAE	
CCCC(CCC)C(=O)c1ccc2[nH]ccc2c1	2052188621	NXEIAWYPTSJARR-UHFFFAOYSA-N	243.350	4.567	0	10	BJAE	
CN[C@@H](C1=CCCCC1)C1(C)CCCCCCC1	2052481616	ZKFDUQNVLWAQTR-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC(C)c1ccncc1N[C@H]1CCCCC[C@@H]1C	2053832787	GEXASRJHHTZUKR-ZFWWWQNUSA-N	246.398	4.586	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C1(C)CCC2(CC2)CC1	2056551447	FLXHUFCVNIJGIE-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CC(C[C@@]2(N)CCCC3(CCC3)C2)C1	2056643236	QUVIAEUWMORXTO-DQPZFDDXSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)[C@H]1CCCCC1(C)C	2056879822	WZAVNVWFIJLZDB-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](O)c1ccc(CC(C)C)cc1	2059224383	ZWBZGKKYHMUTFT-BDUNBXCCSA-N	246.394	4.665	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CC[C@@H]2C[C@@H]2C1	2059255456	HXJPBWJOSZFTEW-UCCFHMQISA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@]1(CNCC(C)C)CC[C@@H](CC)C1	2061565794	GHKJRMRTLZZVST-SJORKVTESA-N	249.442	4.550	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063423553	LITOMGBVYHRPSF-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC[C@H]1C[C@@H]2CCC[C@@H]2C1)CC1CCCC1	2063488340	BAEVIRSOWLPBMY-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(OCC2C[C@@H]3CCC[C@H]3C2)c1	2063532859	ZGPSVNQMRNSUCO-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
CCCc1ccccc1[C@](O)(CC)CCC(C)C	2065988620	VKILCYKRFOTJSR-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCCc1cccc([C@](O)(CC)CCC(C)C)c1	2065999027	DLGVFPOLHKVNAX-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CC(C)c1cccc(NCCCC2CCCC2)n1	2066347090	NMIVRZDDXBQALS-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CCc1cc(N[C@H](C)[C@@H]2CCC2(C)C)ccc1F	2068284858	ANKOUMWQVREWBD-RISCZKNCSA-N	249.373	4.625	0	10	BJAE	
CCC1(CN(C)[C@@H]2CCCCC23CCC3)CCC1	2069326623	LGLDOPSKCJCISX-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)c1ccc(C(C)(C)C)cc1	2072416998	KWVJRBDYGJDRII-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CCC1(CN2CCC[C@@H]2C2CCCCCC2)CC1	2074594817	OOWKYOJPJPIVBQ-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2C[C@@H]2C2CCC2)CC1	2079329332	RBQLBKABQBYXNS-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@H]2C[C@H]2C2CCCCC2)C1	2079492078	NXRVUXJMWWKFNL-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)[C@H]1CCCC12CCC2	2079863204	JQAITJTWQKONJA-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
O=C(CCC1CCCC1)C[C@H]1C[C@@H]1C1CCCC1	2079863553	KPOMNZREZQCBJK-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)c1ccccc1CC	2081208223	CBHVUCBLASIFRD-ZBFHGGJFSA-N	247.426	4.868	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)C2=CCCCCC2)c1	2082930071	MUNWNPTYMUPBKL-KRWDZBQOSA-N	243.394	4.502	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@@H]2CC[C@H]3C[C@H]23)C1	2082983906	WTHCUFGVZIBMFF-ORIJERBGSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1CC(CC)C1)C[C@H]1CC=CCC1	2084997803	LEIHUHAWUKYNGN-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCCCCC(=O)c1ccc(F)c(C)c1Cl	2211151639	JEVKSAZVNGNIPX-UHFFFAOYSA-N	242.721	4.551	0	10	BJAE	
Cc1c(CC2=CCCC2)cccc1C(F)(F)F	2214848909	BHUDQXRRLWYTLW-UHFFFAOYSA-N	240.268	4.667	0	10	BJAE	
CCC1(CC)CCC(O)(CC[C@H]2C[C@@H]2C)CC1	2215279377	BCEMFRWWFGDMAK-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C)NC[C@]1(C)CC=C(C)CC1	2215822675	ADYYZIHSKATBEH-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CCCCC(F)F	2216428727	MMDQYTQBHCEKTQ-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
C[C@H](CCCCCCCC1CC1)[C@@H]1CCCN1	2216878968	GOTLHFYTKRHEDW-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CNCCCCCCCC1CC1	2216904896	UIUJGCJYFUCBDL-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)c1nccn1CCCCCCC1CC1	2218727418	UXSWVULGZQXYOK-UHFFFAOYSA-N	248.414	4.541	0	10	BJAE	
Cc1cccc(F)c1NC1CCC(C2CC2)CC1	2218894919	MYBSXRXZKMFOKM-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
COc1cc(F)cc(CC[C@@H]2C=CCCCC2)c1	2218901781	BIVKBECQZZMHDV-CYBMUJFWSA-N	248.341	4.513	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1CC)[C@@]1(C)CC=CCC1	2220874646	CMXYISJZIGYFAD-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@H]2CCC[C@@H](CCN)C2)CC2(CCC2)C1	2221028319	OSAJBOXRASIXBE-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H](C=C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)CN	2222955533	UQMBDKUAFSSFEO-NCOADZHNSA-N	249.442	4.524	0	10	BJAE	
N[C@H](C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCCC1	2222978416	OYCWRIAUWGZREC-YQFWSFKMSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CN[C@@H](C)CC)c1cccc(C)c1	2223551848	SUJWMGUANZSHHD-DOTOQJQBSA-N	247.426	4.657	0	10	BJAE	
Cc1ccc([C@H](C)[C@@H](O)C[C@H](C)C(C)(C)C)cc1	2223967053	BMRTUXBAJMLJAE-DZKIICNBSA-N	248.410	4.532	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1cccc2ccoc12	2224151036	MYZJTVMKLNZZBM-UHFFFAOYSA-N	244.334	4.688	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1=CCCCC1	2243204401	VBTJBQFRAYOLSB-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)C(C)(CC)CC	2244780023	FRVSFFJTTOYTGZ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C[C@@H](N)CC1(C)CC(C)C1)C(C)(C)C	2246584473	JHQUCTCVTCOLNB-MYMJJRTCSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC)[C@H](C)CC[C@@H]1CCC[C@H](C)C1	2246656142	JKRZGMZAAFZPQM-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H](CC)CC[C@H]1CCC[C@@H](C)C1	2246664800	JJWZTGXLZMIYMS-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(O)CCCC(C)(C)C1	2247126053	BPSUNXRMPRDRFV-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@H](N)CC[C@H]1CCCC12CC2	2247620753	VPXPWRWRPKXUOP-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)CCC(C)(C)C	2248811350	ZVXQQLPNOKAUHU-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C1CCCCC1	2248819316	JCDDZEHYHYRLKB-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
Cc1cn(CCCCC[C@H]2C[C@H]2C)c(C)c1C	2248865067	GSFOUMCLEYUAMZ-WBMJQRKESA-N	233.399	4.630	0	10	BJAE	
C[C@H](C(=O)CCCCC[C@@H]1C[C@H]1C)C(C)(C)C	2248867307	VAAHEYCTDIVOPN-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)c1cccc(NC2CCCCC2)c1	2249293767	DYSHHXUYWJKLMG-UHFFFAOYSA-N	231.383	4.729	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)[C@H]1CCC2(CCCC2)C1	2250355403	AXICJKNGCYZFAS-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@@H](CC)CCC	2250358898	AWAMSUCXWQVXRX-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CN[C@H](CC)c1ccccc1	2250381603	QBACRUSJVGBAAD-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC1CCC(C)(C)CC1	2250387671	QVJMKSREDVNYGJ-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@H]1CC12CCCCC2	2250391516	XAPBOLQZEWGFDC-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](O)c1ccoc1	2250466845	KACHADQWONGSRP-HIFRSBDPSA-N	238.371	4.556	0	10	BJAE	
CC(C)CCC[C@H](C)CCNCC1=CCCC1	2250492887	XQHZXDYPVPTVSE-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](N)CCC1CC(CC(C)(C)C)C1	2251504268	YGAAFHQLWMDBBC-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)c1ccc2ccsc2c1	2253060287	KQABDJAIURYEGJ-AWEZNQCLSA-N	248.391	4.617	0	10	BJAE	
CC1(CC[C@@H](N)CC[C@@H]2CCCCC23CC3)CC1	2253783737	NOCQTGVCEQGLBU-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
NCC[C@@H]1CC[C@@H](CC[C@@H]2CCCCC23CC3)C1	2253886969	QQBAWOKUQLTQGX-JYJNAYRXSA-N	249.442	4.502	0	10	BJAE	
CC1([C@@H](N)CC2=CCCCC2)CCCCCCC1	2255063813	NOOCCVYHUMWNJH-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(CC2=CCCCC2)C1	2255099249	IVUGTCFNTPLFNV-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCCCC1CC(NCC[C@@H]2CCCC23CC3)C1	2255249169	VZNSBJUCDPZUFZ-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CC[C@H](C)C[C@H]1C	2256142174	PEQJAEFABANVJE-YWPYICTPSA-N	249.373	4.625	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1ccc(CC(C)C)cc1	2259438097	ODJXYUBXMPVMSH-DOTOQJQBSA-N	248.410	4.745	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cccc(C2CCC2)c1	2259450174	YUVCHNYJEYPEOV-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@]12CCC[C@@H]1CC2	2260638844	PUXLRSCXNOLAFC-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CC1(CCNc2cccc(C3CCCC3)c2)CC1	2260715716	IYWKKOPOVGSWMX-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298443299	VPIAOURCMWKUMX-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(=O)[C@@]12CCC[C@@H]1CC2)CC(C)(C)C	2298700147	SLNZPAPBESSSJK-WOSRLPQWSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2298722858	UIFMARRIWSNEHR-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC1(CN[C@@H](C)CC)CCC1	2300699211	FEZBNQFURCKCDK-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)=CCNC[C@@H]1CCC[C@@H](CC)CC1	2300868253	WPJXSBADIDWLKD-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC(=CCN[C@H](C)C(C)(C)C)CCCC(C)C	2300870021	PTNPEXWTPOZDJB-OAHLLOKOSA-N	239.447	4.783	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@@H](CC=C(C)CC)C1	2300925937	HOJBXVCFSPXDBQ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC1CCCCCC1)c1ccc(N)cc1	2301187833	FNUXLGPOZZEOES-ZDUSSCGKSA-N	231.383	4.733	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)[C@@H](C)C(C)C)c(C)c1	2301927787	DQJDZRDXFOACEW-LSDHHAIUSA-N	233.399	4.704	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](CCC1=CCCCC1)NC	2301943878	ASSROQWVVHETSH-SQWLQELKSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@H]2CCC(C)(C)C2)C1	2302760673	KQRQWEVMDXOQOK-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@H]1CC[C@H]1C(C)(C)C	2303475663	NBZGIJLCSVHHHT-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@]1(C[C@@H](CC)CCC)CC1(C)C	2307747895	UHSOZXDAKFTIIY-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC[C@@H](NCC)[C@H]1C	2307906272	CYWWEOSBZMUSTM-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)c1ccoc1	2307908924	IUMAPMOWDXYBJO-UKRRQHHQSA-N	237.387	4.537	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@@H]2CCC[C@@H]3C[C@H]23)CCC1	2310752972	UJPCTHNAQUBMMC-XUWVNRHRSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)C[C@@]23CCC[C@@H]2C3)CCC1	2310987860	IYVOYBPGNJKNCK-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@H](NC)c1cc(C)cc(C)c1	2316247552	FZPOMBGEINAVHD-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1CCC12CCC2	2316501358	DOWVCFDWTXSXMO-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H]1[C@H]2CCCC[C@H]21	2316505032	ZDJSMAMHJTUHAU-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@@]1(N)CC=C(C)CC1)CCCC(C)C	2316527248	ZLGQNGWVICAAFZ-QGZVFWFLSA-N	249.442	4.977	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2316887303	WQAXOFSJMXIPED-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
O=C(CC1CCCCCC1)C1CC[C@@H]2C[C@H]2CC1	2317002915	HJZLMPLENBWDDA-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc2c(C)c(C(=O)[C@@H](C)C(C)C)oc2c1	2317940784	XIFWYYNGEFXELC-NSHDSACASA-N	244.334	4.524	0	10	BJAE	
CC1CCC(CN)(CCCC2=CCCCC2)CC1	2318583267	NDEKBSILLTURST-UHFFFAOYSA-N	249.442	4.812	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CCCC[C@H]2C[C@H]21	2319333827	GZHWDXISLYJKDD-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC[C@H]2CC[C@@H]2C2CC2)CC1	2319687018	SLJWIVRYHYVVNT-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
O=C(CC[C@@H]1CC[C@@H]1C1CC1)CC1=CCCCC1	2319750378	RNWQKAIKDWVWCE-NVXWUHKLSA-N	246.394	4.662	0	10	BJAE	
CC1=C(C)C[C@H](NCC2CCCCCCC2)CC1	2320411208	DBSIFSZXBMPEDZ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1C[C@@H]1CC	2320425562	XXXCPCRMPPRBEN-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cc(C)ccc1C(C)C	2327698036	XIFZIBUCXHEYSX-PBHICJAKSA-N	247.426	4.945	0	10	BJAE	
CCCCCCc1ccc([C@@H](C)C[C@H](C)O)cc1	2327894699	VPXSOQKHLXUUGJ-GJZGRUSLSA-N	248.410	4.684	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1C[C@H](C)CC(C)(C)C1	35135639	QJVAEGMISDDVGF-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
Nc1ccccc1-c1ccccc1-c1ccccc1	39251539	AJUHJMMNWVKCER-UHFFFAOYSA-N	245.325	4.603	0	10	BJAE	
CCC(=O)c1ccc(-c2ccc(Cl)cc2C)o1	54106848	JJPUZZCGJGUAKH-UHFFFAOYSA-N	248.709	4.501	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCCc2ccccc21	63157204	JBHAVFPMEOENKI-XJKSGUPXSA-N	244.378	4.502	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2cc(Cl)cc(Cl)c2)C1	70748066	WRTGCOPSNKGOLA-GZMMTYOYSA-N	244.165	4.594	0	10	BJAE	
CCCC1CCC(O)([C@@H]2CCC[C@@H](C)C2)CC1	71153169	GZPKCYMRTBAVQW-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H]1Nc1cccc(Cl)c1Cl	83390099	JRQHGHGACWRAMK-WPRPVWTQSA-N	244.165	4.594	0	10	BJAE	
CCCCCC[C@@]1(O)C[C@H](C)CC(C)(C)C1	83502607	CZZUAUPLTYQQSZ-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CNc2ccccc2Cl)C1	84340498	LYOYAUKKVKKUSK-NEPJUHHUSA-N	237.774	4.578	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)c1	85098706	IXZZUEGOKWNTTC-VBNZEHGJSA-N	245.410	4.848	0	10	BJAE	
CC(C)[C@@H](Nc1ccsc1)c1ccccc1	85529141	QMIZUMKTTKFNRM-CQSZACIVSA-N	231.364	4.557	0	10	BJAE	
CCCCCC[C@H](O)c1c(C)cc(C)cc1C	87177777	BGQMIILGWZXKOP-HNNXBMFYSA-N	234.383	4.616	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)c1cc(C)oc1C	103996750	JBUWVQSOIADJJC-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
C/C=C\C[C@H](CC)c1ccc(OC)cc1Cl	107667568	BMNDQGIFBBTPGE-QZPNVGJNSA-N	238.758	4.808	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)Cc1ccccc1C	109713376	LEEHLGSZEKWRHR-RDJZCZTQSA-N	248.410	4.505	0	10	BJAE	
Cc1cc(C)c([C@@H](C)NCCCC(C)C)cc1C	109920937	YTVOKOQGQYGOFF-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc(OC)cc1C	109958351	UEUMYVGBYXMDET-OCCSQVGLSA-N	249.398	4.630	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](c1ccccc1)C1CC1	111663950	ZVGWWSAUGPDZAE-CXAGYDPISA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CCc1ccccc1	111817414	ZPEIRLIZAUZDSB-DOTOQJQBSA-N	248.410	4.587	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1c(C)oc2ccccc12	123754003	HDYJETYOTULZRK-SMDDNHRTSA-N	246.350	4.601	0	10	BJAE	
CCCCC[C@@H]1CCCCC[C@H]1CNCCC	130789115	YMEMEPVYCMSNHT-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H](CC)c1ccccc1	159502711	RYJUAGKUGKHXIQ-IAGOWNOFSA-N	247.426	4.739	0	10	BJAE	
CC[C@H](C)[C@H](CNC(C)(C)C)C1=CCCCC1	161464230	PPLYIGRYKSLPBS-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H]1C[C@H](C(C)(C)C)CCC1=O	165473756	ZCMYIPVIZBMHFC-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1ccc(C)c(C)c1	212011866	NYEYZZPQGLOZOR-MRXNPFEDSA-N	234.383	4.553	0	10	BJAE	
CCCCC[C@@H](O)CCCCCCC1CC1	224541939	XRDIKQNYNRTWAC-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CN[C@H](CCC1CCCCC1)c1ccccc1C	229430905	PZVYSPVWSFKKMU-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCCC(CCC)[C@H](O)CCC1CCCC1	300750782	LBPZKBFIAGNDIQ-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CCC1CCCCC1	302237622	BHEOYAXYSZSROM-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CCCCCCC(=O)C[C@H]1CCCC(F)(F)C1	304179310	LIICCWCJTNCAEW-GFCCVEGCSA-N	246.341	4.742	0	10	BJAE	
CCc1ccc2sc(Cl)c(Cl)c2c1	306557609	OCTBVIKJEKNLII-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
Cc1csc2cc(C(C)(C)C)c(Cl)nc12	307570428	ZZPAJIADTDNEAB-UHFFFAOYSA-N	239.771	4.556	0	10	BJAE	
C[C@H]1[C@H](C)CC[C@]2(C)CCC(C)(C)C[C@H]12	308715595	PEBJZQBEEWPOET-QVHKTLOISA-N	208.389	4.885	0	10	BJAE	
CC1CCC(C[C@@]2(O)CCCCC2(C)C)CC1	310456119	WUMZZAHBXUBPET-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H](CC)c1cccc(C)c1	310710814	ULSYFDPDZHEWTO-IAGOWNOFSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Oc1ccccc1C(C)(C)C	319525256	AHFZXRVJAHVPOC-CHWSQXEVSA-N	234.383	4.798	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@H](C)CC(C)(C)C	380862935	PSBRSNRIPFPENR-STQMWFEESA-N	226.404	4.700	0	10	BJAE	
CC1(CN[C@@H]2CCCCC23CCCC3)CCCC1	380914601	ZHFQUVYGGXVBSN-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
Cc1cccc(C(=O)CC2CCC(C)CC2)c1C	381028121	RODACSOPCXNZRT-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCC1(CC(=O)CCC2CCCCC2)CCC1	383561814	FBWCAURTELJKMX-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@@H]2CCCC[C@@H]2C)cc1	384563761	SRGBHQUOZOMHGG-XKQJLSEDSA-N	245.410	4.636	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1nccc2sccc12	384687014	VYKQMJGPEACJLU-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
CC/C=C\CN[C@@H]1CCC[C@H](C(C)(C)C)CC1	384777275	SVFJBGHRLQEEJV-NHQLZKDQSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC(C)C)C[C@@H](C)c1ccccc1	384919348	PFPUQGOLDKJQIX-NVXWUHKLSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@@H]1C[C@H]1CC	387694663	YGPZHIIMICYYLX-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1ncc(C2CCCCCC2)s1	394572335	MQKFWRFTQUEXQG-UHFFFAOYSA-N	237.412	4.878	0	10	BJAE	
Cc1cc(C)c2sccc2c1C(F)(F)F	396201310	RMOAQENKXCRABC-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CC[C@@H](C)c1csc(C[C@@H]2C[C@H]3CC[C@H]2C3)n1	397423712	BKAWETPKKFFBLC-VOAKCMCISA-N	249.423	4.635	0	10	BJAE	
Cc1c(Cl)cc2nccc(Cl)c2c1Cl	606291646	LERRHOWKUYDPMM-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCCC1([C@H](O)CCC(C)(C)CC)CCC1	686921613	JMUSPBFKUOHTKM-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCC1(CNc2ccccc2Cl)CCC1	687529368	SEGCALWSTRDEAE-UHFFFAOYSA-N	237.774	4.722	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](C)CCC(C)C	691098328	JAJOJMIYDUJDKB-OAGGEKHMSA-N	239.447	4.760	0	10	BJAE	
CNc1cccc(-c2ccc3sccc3c2)c1	691793298	GLXWFICCSYCVTH-UHFFFAOYSA-N	239.343	4.610	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1C[C@H](C)CC(C)(C)C1	695099902	QFRIAOYEVKRWSA-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CCC(C)(C)C[C@H]1C	695101565	VZBNWJJWPQYBJP-HZSPNIEDSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)C(C)(C)CC	695101648	WEJYDKRRTXOYDC-UONOGXRCSA-N	227.436	4.760	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc2ccccc2c1	701339207	ZCSHFQNAIOPOHO-UHFFFAOYSA-N	240.346	4.849	0	10	BJAE	
CC(C)c1ccc([C@@](C)(N)C2CCCCC2)cc1	704871607	HTQJBDUDEIECKP-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC[C@](O)(C[C@H](C)CC(C)(C)C)C1CCCC1	709129867	IJSSGVCGFCOCHC-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@@H](C(C)C)CC[C@H]1N	711294163	NAEFHTGWISAUBH-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CC(C)(C)C(C)C)c1ccc(C)c(C)c1	713238493	BCBYHDFCFDDVJP-MRXNPFEDSA-N	247.426	4.636	0	10	BJAE	
CCC[C@H](NCCCCC1CC1)c1ccccc1	716399155	RAZYLZWHWJQLND-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CC(C)=C(C)CCCc1csc(C2CC2)n1	718724495	VCUYWSAVZHJFNS-UHFFFAOYSA-N	235.396	4.700	0	10	BJAE	
Cc1ccccc1N[C@H]1CCCCCC1(C)C	719269701	SEZFUBGSXUCRJX-HNNXBMFYSA-N	231.383	4.766	0	10	BJAE	
CCCCC[C@@H](CC1CC(C)(C)C1)NCCC	723568064	MXQROBXPYZATSG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCC1(NC[C@@H]2CCCC[C@H]2CC)CC1	1184253478	VYINLTWRZNIWSA-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CN1C[C@H](C)c2ccccc21)CC(C)(C)C	1473570304	RGTGBEGRNXMFGQ-KGLIPLIRSA-N	245.410	4.682	0	10	BJAE	
CCC(CC)c1ccc(F)c(Cl)c1F	1889481564	VIJNNRYAQFNXFM-UHFFFAOYSA-N	218.674	4.522	0	10	BJAE	
CCc1cscc1NCCCC[C@@H]1C[C@@H]1C	1902380622	DUEZMWUOEGVBEU-WCQYABFASA-N	237.412	4.549	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C[C@@H](C)C(C)(C)C	1905446123	SYIZWOKPSVFFRC-HZSPNIEDSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)CC(C)(C)CC	1910147729	PDOMVARMEHELDK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@@H](NC)[C@@H](CCC)CC(C)C	1911979775	LVMQCDJVIFLHHZ-JKSUJKDBSA-N	237.431	4.559	0	10	BJAE	
CCCc1ccc(NC2CC3(CCCC3)C2)cc1	1912729759	SFYZBOTUOBQQBR-UHFFFAOYSA-N	243.394	4.774	0	10	BJAE	
CCC[C@H]1CCCCCCCC[C@H]1NCC	1913423012	HLEFPBATIXWFCN-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
C[C@H]1C[C@@H](N[C@H]2CCC3(CCCC3)C2)CC[C@H]1C	1916439857	BOWKROMMLJFMIG-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCCC1CC(C(=O)[C@H]2CCC[C@H](CC)C2)C1	1921278654	YLYAZTYNVXBWPU-LQULJDIASA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC(=O)[C@H](C)C1CCCCC1	1924086924	QGFFOEMMHQXUIX-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@@H]1C=CCCCC1	1925781127	PYVUKAZJRRTJPB-CQSZACIVSA-N	232.367	4.583	0	10	BJAE	
CCCCc1ccc([C@H](O)CC(CC)CC)cc1	1926380090	PYPQPKWFTCCCHU-QGZVFWFLSA-N	248.410	4.889	0	10	BJAE	
C1=C[C@@H](CC[C@H]2CC3CCC2CC3)CC1	1932592627	KITUJGABLNTRBG-URGYJCLVSA-N	204.357	4.559	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC[C@H]2CC2(C)C)C1	1940852362	DWGXICOXMVIJBE-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@@H](N)CC[C@H]2CC2(C)C)CCCCC1	1940861452	CVOGYPOUYXYYBY-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C[C@@H](C)CC(C)(C)C	1941245157	FHPATACEOFNVJN-RBSFLKMASA-N	242.447	4.882	0	10	BJAE	
C1CCC(CCNCCCCCC2CC2)CC1	1941582473	WYQRSWXCHJBKAG-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2C[C@H]3CCC[C@@H]32)n1	1941714103	WZZHJOPGGZBLOC-GRYCIOLGSA-N	249.423	4.734	0	10	BJAE	
CC(C)(C)CC[C@H](O)[C@@]12CCCC[C@H]1CCC2	1944148914	VOGFQAGLZUZOEA-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)C(C)(C)C(C)C	1944665487	GJKXVGAVNLPOJC-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@@H](C)CC)C(C)(C)C(C)C	1944681189	SIYAGQREZQDUPY-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@@H]1CC1(C)C	1944740431	BXEYGTQHVQGZKC-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H]1COc1cccc2sccc12	1944787406	ZYYFPOJZKKUWGN-RYUDHWBXSA-N	246.375	4.716	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)c1cc2ccccc2s1	1945755692	LZTMZTLSNQVFJB-LLVKDONJSA-N	244.359	4.520	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)c1cccc2sccc12	1945970645	QUWAFNBNWXNJEK-IAQYHMDHSA-N	247.407	4.583	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCCCC1CCCC1	1947454804	BKLIZZGUDAWAKS-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@]1(O)CCCCCCCC1(F)F	1947510213	MEQHXLFEFFHSTH-ZDUSSCGKSA-N	248.357	4.677	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)CC(C)(C)C	1947594771	ZWEITNRAEOJXGL-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(C(C)(CC)CC)CC1	1949087680	FGHJZMWVVDASQT-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)C[C@H]1C=CCCCC1	1949124741	JXBIWIOWSSYDRJ-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CC(C)(CCC[C@H](N)CC1CCCC1)C1CC1	1949870584	PFNYNIFHPUPPNQ-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
O[C@@H](CCCC1CCCCC1)CC1CCCC1	1949872027	WHEJWSIYTNSZHY-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@]1(CNC(C)C)CC12CCCCC2	1950612288	LNZYFFVRQZFUHO-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCC(C)C)[C@@H]1CCCC(C)(C)CC1	1950920229	SVDZBLYOIZZIPM-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C(CCC1CC1)CCN1CCCC[C@@H]1C1CCC1	1966211023	BAVXCUXRVGTTQO-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC[C@@H](CN[C@H]2CCCC23CCCC3)C1	1967717022	RCOUTFLOQKZXRJ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC2C[C@H]3CCCC[C@@H]3C2)cc1F	1968320123	ICVSALBITAVKGM-CHWSQXEVSA-N	247.357	4.515	0	10	BJAE	
Cc1ccc(F)c(NCC2C[C@H](C)C[C@@H](C)C2)c1	1968342468	ZEDLQFSMVNYARP-CHWSQXEVSA-N	249.373	4.618	0	10	BJAE	
CCN(Cc1ccccc1C(C)(C)C)C(C)(C)C	1968588277	WTPXWFQTORXJJO-UHFFFAOYSA-N	247.426	4.605	0	10	BJAE	
CCCC(CCC)CN[C@]1(C)CCCC[C@H]1C	1970248904	ALXHBYLMHQABKT-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(N[C@H]2CCCCC23CC3)CC1	1972726126	VWANADLQJPXGHR-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(CC)CNC1CC(C)(C)C(C)(C)C1	1973316476	VIBKBRCBWKIRGC-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)[C@H](C)CC	1978650494	ACKRCWRWOGSBRS-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)CCC=C(C)C	1988795390	SGBLNUVAXIPYDT-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)Cn1ccc2c(Cl)cccc21	1989652298	UQHODWPEJOLANX-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
CCCCC[C@](N)(CC)CCCC1CCC1	1990089816	PYDHNKVDOZFSDK-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1(CCC)CC1	1990577346	JYJJYHZVFTWNGK-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC=C[C@@H](CC[C@@H](C)CCCC)NCCC	1995215613	XFHQECNWSZKDER-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CC(C)CCN(CCC(C)C)[C@H]1CC[C@H](C)C1	1995896723	SIPALXSVJVPYIO-HOTGVXAUSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)CC2CCCCCC2)C1	1996239938	WOBNYRWHIDONBM-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](C)C1)C(C)(CC)CC	1996273560	UQLGZECNIAEOMA-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCCC2(CCC2)C1	1997039590	MCDHXTNKYLVWCW-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC2(CCC2)C1	1998695783	KIXVRFKMFVZEFU-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)[C@H]1CCCC(C)(C)C1	2000161803	LDQYSGMPGJTWID-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2001495087	REFCZZWALSZBHP-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](O)(CC1(C)CC1)C1CCC(C)(C)CC1	2002508044	WODBCOBTVHHVQB-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c2c(Cl)c3c(nc12)[C@@H](C)CC3	2002853405	ODPYGXKGMOXWSJ-VIFPVBQESA-N	245.753	4.555	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@](C)(F)C(C)(C)F	2003235065	BVJNSUIZPRZKEQ-CQSZACIVSA-N	248.357	4.638	0	10	BJAE	
O=C(CC[C@@H]1CC12CCCCC2)c1cccs1	2003682185	VMDVOXPKLKHAOR-GFCCVEGCSA-N	248.391	4.681	0	10	BJAE	
CCC1(CC)CCC(N[C@@H](C)C2(C)CC2)CC1	2004341576	LFMYADZGNPZACI-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@H]1CCC[C@@H]1C	2006752938	ZTVFXLMOEVGNCO-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1CC1(F)CCC1	2008506591	KMGAONQRBNODTA-CYBMUJFWSA-N	240.362	4.588	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H]1CCC(C)(C)CCC1=O	2009403700	FTIDFOFGHJBEIU-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@H]1CCC(C)(C)C	2009408582	VEHAIQRAZTWWDH-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H]([C@H]2C=CCCCCC2)CC1	2009410657	KVBWMXRWTNUOTI-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
C/C=C/CCCN1CCCC[C@H]1c1cccs1	2009574267	CTYKUAUUUCUIFZ-HSWBROFVSA-N	249.423	4.631	0	10	BJAE	
C/C=C/CCC[C@H](CCC1(C)CC1)NCCC	2009617650	VCLMVEBXHUTZPC-CSPWOOARSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(CC)CN(C)C1C[C@H](C)C[C@@H](C)C1	2011177298	DLCIBXGCMXXGAZ-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCCCCC(=O)CC1CC2(C1)CC(C)(C)C2	2011846420	UVYPOFAAPPGNJJ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](C)NCCC12CCC(CC1)CC2	2012788481	NKUANWCSNCJGPA-QQFBHYJXSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)NCC1(CC)CCCC1	2013265807	ZZPPOEQOJKMIHU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](N[C@@H](CC)CCC(C)C)C1CCC1	2013266401	GMOKAKYZEBRCAL-HOTGVXAUSA-N	239.447	4.760	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@@H](C)C(C)C	2015398427	LPBMJBVUDRQKJG-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCCC1(CC(=O)[C@H](CC)CC(C)C)CCC1	2015593104	NKFVTMBSUIQHHD-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCC1(C[C@@H]2CC[C@H](C)CC[C@H]2O)CCC1	2015631529	GMGVHLWQCPFHJG-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](O)[C@H](C)C2CCCC2)CCC1	2015635218	NVJNTFSZBUJDGI-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CC[C@@H]1C[C@@H]1C	2017236805	KRHAZBZAEVYSRA-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@H](CO)C(C)(C)C)CC1	2017711435	CUWZWZUZCSUXTF-YMAMQOFZSA-N	240.431	4.638	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cccc(C2CC2)c1	2017746051	HSBYMNIZAMNORO-LBPRGKRZSA-N	231.383	4.801	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCC(C)(C)C1=CCCC1	2017746797	OKMUWHVHXBUDKY-CYBMUJFWSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(CC(=O)CC2CCC2)CC1	2017768045	PHHIHWCIVBUFLI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)CC2(C)CC2)CC1	2017774127	KNDMOHGPOOBMQI-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)CC1CCC=CCC1	2018135881	DWJNDOJGDGNHPK-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@@H](C)C1CCC1	2019360114	PPJSISFWGAOWAK-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCN[C@H]1[C@H](CC(CC)CC)CCCC1(C)C	2020361455	PVHUZINUTVBNIN-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@H]1CCCC(C)(C)CC1	2020967514	IJKWSWWDFIPETE-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H](C)CC(C)(C)C	2020972670	WYWSASUBMYYGRR-DZGCQCFKSA-N	239.447	4.783	0	10	BJAE	
CCCCC[C@H](CC)NCCCCC(C)(F)F	2023287398	IDJMOTYIBHKPPE-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCCCC(C)(F)F)C1	2023311819	OUMFRUBYWHAAEZ-TZMCWYRMSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)C1CCCCCC1	2026141079	FCBMEZFLMICNCM-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CC1CCCC1)NC	2026162395	BWQGOUUAKKQCNE-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCC)[C@H]1CC1(C)C	2026163140	INMXSALIBJBBJW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC1(C)CCCC1	2026166767	MGMUBWWVNPSLDU-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
C[C@H]1C[C@@H]([C@](C)(F)c2ccc(N)cc2)CC[C@H]1C	2027935449	GZMOPGCATFUPGY-TWJWRFFLSA-N	249.373	4.526	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)C(C)(C)C2CC2)cc1	2028099074	HQLZOBCHURREQM-BLLLJJGKSA-N	246.394	4.670	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)[C@]23CCC[C@H]2C3)CC1	2028128686	UMEHVKISGGSMGS-QKRUXVEJSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1ccc(C(C)(C)C)cc1	2028251028	CGVAVLNQXFNKLN-JKSUJKDBSA-N	247.426	4.666	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@H]1C=CCCC1	2035600682	QAWDZUGKPVJYKI-AWEZNQCLSA-N	243.394	4.752	0	10	BJAE	
CCN[C@@H](CCC1=CCCC1)CC1CCCCC1	2038163873	HSZMNJNYJAVEFK-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC1CCC([C@H](N)[C@H]2C(C)=CCC[C@@H]2C)CC1	2039436971	QWFYEJDZBOQESP-VMAZRHSESA-N	249.442	4.523	0	10	BJAE	
Cc1cccc(F)c1N[C@@H](C)C1CCC(C)CC1	2040633032	KQQAKPCVYIQHGY-QRMWWUJWSA-N	249.373	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNC2CC3(CCCC3)C2)CC1	2041374388	ABJZXPNVKBHTJO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2ccccc2C)CC1	2041383514	OIOXLZLELWKRAX-CABCVRRESA-N	244.378	4.784	0	10	BJAE	
CC(C)C[C@@H]1CCCN1C[C@H]1CCC=CCCC1	2045312480	OHEKJVJPTRENIP-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C[C@@H]2CCC=CCCC2)C1	2045314048	GEUXFQRGMPZFQG-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CC=CCC1	2048468596	IZPKSFRWKRSTBF-HWMZRRJGSA-N	246.394	4.518	0	10	BJAE	
NC1(C[C@@H]2CC23CCCC3)CCCCCCCC1	2049669736	MULVDJFUWXAEPV-HNNXBMFYSA-N	249.442	4.789	0	10	BJAE	
CN[C@@H](CC1CCCC1)C[C@@H]1CCCC2(CC2)C1	2049844876	FJSSWCLZIDLSSI-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@]1(CN)C[C@H]1CCCC2(CC2)C1	2049846510	TXJJTVOVMPBOJQ-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CN[C@H](CCCC1CCCC1)c1ccc(C)cc1	2050430603	MYZHPBTWNJMIFT-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CN[C@@H](CCCC(C)=C(C)C)c1ccc(F)cc1	2050493168	VKHSBZPTKPMUEF-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CCNC[C@@]1(CC2(C)CC2)CCCCC12CCC2	2053361830	UYLIXWVLCFQLIO-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCCCC1CC(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)C1	2059391479	CMFDFTBTMCUPCS-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@]2(C)CCCCCN2)CC1	2061096602	WDLBBVQSAQJLJC-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@@H](NCCC)C1CCC(CC)CC1	2061564984	ARPMUADBSKDAHE-OFLPRAFFSA-N	249.442	4.692	0	10	BJAE	
C=C=CCC[C@@]1(CNC(C)(C)C)CC[C@H](CC)C1	2061565909	HPNAAFCTEZTYLZ-DOTOQJQBSA-N	249.442	4.692	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CC[C@@]23CCC[C@H]2C3)C1	2061601588	IOVICUVPMUWQLQ-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(CN[C@H]2CCCCCC23CC3)C1	2062021006	RRYIHTWINVQYPI-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cc(OC)ccc1C	2065989430	CSHXXDYALUEFOT-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC2(CC3CCC3)CC2)C1	2069579791	DDDMSUHCQGACDD-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCC1(CC2CCC2)CC1	2069587576	STBPXCKLEAMRKJ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)c1ccccc1C(C)C	2070296367	RXHUEWUUFPYOGV-QGZVFWFLSA-N	245.410	4.730	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C12CCC(CC1)CC2	2072416502	GJOOUDGFJIGWEI-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(CN[C@@H]2CCCC=C2C)CC1	2072803023	DDWHZIOKIXCXHQ-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(C=C2C[C@@H](C)NC[C@@H]2C)CC1	2072818977	QRZMHBYOFDHMFA-QRNKSROTSA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@]2(CNC3CC3)CCC[C@H](C)C2)CC1	2074624589	SPFJZJIMIWBZGY-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
C[C@@](N)(C[C@H]1C[C@@H]1C1CCCC1)C1CCCCC1	2079882847	AXRZYRJSJUAKPP-DJIMGWMZSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(C=C2CCCCC2)CCC[C@H]2CCCC[C@H]21	2081141213	ORMMZFNTMFIYQQ-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
CCC[C@H](CC1CC2(C1)CC1(CCC1)C2)NCC	2083615445	LPJRZACBWIHNCE-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H](NC[C@@H]2CCC=CCCC2)C1(C)C	2084429592	MROURVSEGHVCAZ-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C(C)(C)CCC	2212119965	QJRWGPKOJFBZGU-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@]1(O)CCCCC[C@H]1CC	2215247806	GXHRUJWMAHBIMC-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H](C)CCC(C)C)CC1	2215824923	YSANWRYCAFRHGO-HOCLYGCPSA-N	236.399	4.764	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCC[C@H](C(C)(C)C)C1	2216254378	ZJSMYIGWJSXATO-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCC[C@](C)(O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216743941	GNSNOTFIZVLUBG-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)NCC(C)(C)CC1CCC(C)CC1	2217145048	LOPMQGDRXGYSRS-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@H]2C[C@H]2C1	2217240203	HFJLBZLJPQEOEO-SGMGOOAPSA-N	249.785	4.503	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@H]1C[C@H]2CCC[C@H](C2)C1	2218332206	NGDWUEZZHIKVBD-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(C3CC3)CCCCCN2)C1	2221017754	WJELUJLNXSPUQR-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC(=O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222955254	REMACEUJWKOMSX-PMPSAXMXSA-N	248.410	4.908	0	10	BJAE	
Cc1occc1[C@H](N)CCCCCCCC1CC1	2223118722	MXYSOKDZWVPXJT-MRXNPFEDSA-N	249.398	4.729	0	10	BJAE	
CC[C@H](C)NCC1(C[C@@H]2CCC[C@@H]2C)CC=CC1	2223542709	SRWJIPQNNCGSDC-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)[C@H](C)c1ccc(C)cc1	2223963073	DATXSZGWGDFLQJ-YSVLISHTSA-N	247.426	4.513	0	10	BJAE	
CCC(CC)Nc1cccc(C(C)(C)C)c1	2244142330	BTFAUERZRAYQEL-UHFFFAOYSA-N	219.372	4.585	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cc(C(F)F)cs1	2244784123	MPXLROUUJPNWGX-MRVPVSSYSA-N	246.322	4.695	0	10	BJAE	
CC[C@H](C)[C@@H](N)CC[C@H](C)CCCC(C)C	2244844970	JLORRYAUMRUISO-ILXRZTDVSA-N	227.436	4.602	0	10	BJAE	
CC(C)C[C@@H](N)CCC[C@@H]1CCCCC12CC2	2246618894	ZAKBBUUFTDTZSV-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)NCCC=CCC[C@@H]1CCC[C@@H](C)C1	2246687051	LLQCBGILZRXDHW-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(N)(CC[C@@H]1CCC[C@H](C)C1)C(C)C	2246723552	AHDFYJCJHQNKSP-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNC1CCCCCCC1	2247124605	SRLLYGJGIKVYCT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCCC(C)(C)CNCC1=CCCCC1	2247490524	QBOGVEQFRXCVPC-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCCCCC1CC(O)(CC2=CCCCC2)C1	2247507679	BMUQWAJOQIDZOJ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](CCCCC[C@H]2C[C@H]2C)C(=O)C1	2248865875	MDEOCILLHBMUBX-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)ONC1CCCCCCCCC1	2250123124	LVJLTZQJABSQJL-UHFFFAOYSA-N	241.419	4.589	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cccc2sccc12	2250353136	RQEDQHLOVPUCDJ-XHDPSFHLSA-N	247.407	4.727	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1(CC)CCC1)NCC	2250359642	DWFSLLTWVBXEEP-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@H](C)CC[C@@H](C)CCCC(C)C	2250489673	ARAVWVUTQOZLMZ-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
Cc1scc(C(=O)C[C@]23CCC[C@@H]2CC3)c1C	2251194461	JHHNOEPIUYBLLF-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccc2ccsc2c1	2253066283	XGLLINAUHDGCCG-XHDPSFHLSA-N	247.407	4.727	0	10	BJAE	
CN[C@H](CC=C(C)C)c1ccc2ccsc2c1	2253132047	DPPKLUCZJOJMGR-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)CC2C[C@@H]3C[C@H]3C2)C1	2253924102	RJBHORXXFKEBTQ-RRCSTGOVSA-N	248.410	4.598	0	10	BJAE	
Cc1c(F)cccc1C(=O)CCCC[C@@H]1C[C@H]1C	2254610344	OHRQEZSGBGTZIG-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC1(C)C)[C@]1(C)C=CCCC1	2255015632	SQVZDMRNPLYKHJ-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1CC1=CCCCC1	2255137203	NFWMYVUNIGQFGQ-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)CC1=CCCCC1	2255139515	CTUBBGLBDVYSPU-RHSMWYFYSA-N	247.426	4.731	0	10	BJAE	
CCC1(C)CC(C(=O)CC[C@@H]2CCCC23CC3)C1	2255307695	CAEPGBVUKIMUNA-BBBYJDLNSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)c1ccccn1	2259599146	DUZXUAYQHXLKTI-AWEZNQCLSA-N	247.382	4.507	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2cccc(C3CCCC3)c2)N1	2260665522	WDMXCMPWIPWXIE-DYVFJYSZSA-N	243.394	4.547	0	10	BJAE	
c1sc([C@H]2CC[C@H]3C[C@H]32)nc1C1CCCCC1	2297902150	MAUUAGDVFVDYER-RWMBFGLXSA-N	247.407	4.704	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H](C)CC2CC2)CC1	2298886917	MIUMGDNJXURMQS-OPFPJEHXSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](C)O[C@](C)(O)CCCC(C)C	2300475957	RFIBRKGJKXDHRC-CABCVRRESA-N	244.419	4.507	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@H]1CCC[C@H]1C	2300683815	NNNLZVVMBKNOBW-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CCC(CC)CC)C1CC1	2300699111	FBCZORDPTSYGJK-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(=CC[C@@]1(N)CC[C@@H](C)C1)CCCC(C)C	2300889431	VWZGEGALBXLCCY-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC(C)CC[C@@](C)(N)CCCC1=CCCCC1	2302330608	DHAOPGJKRGSRCY-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCCC1CCC(CC[C@H]2CCC[C@@H]2N)CC1	2302664824	OYHOBOMIQCMBRA-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H](C[C@@H]1CCC(C)(C)C1)NC	2302748728	QGBCHJFDPUUURB-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@]1(CN)CCC(C)=C(C)C1	2303580361	TVBOJCQFCWBLJL-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
CCC[C@H](CC[C@H]1CCC(C)(C)C1)CNCC	2304429772	ZVUUZRHIGFGKIO-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](O)CCC2(C)CC2)C1	2304431163	HVRPXYKCTIKREM-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCC[C@@H]1CCC(C)(C)C1)CC(C)C	2304439597	LLPFCFOMUFWYSV-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@H](C)CC(C)C	2307907104	BAOQUZDHLCQIAA-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1C[C@H]1N[C@H]1CCCC[C@H]1C1CCCCC1	2308184443	GTNJANSAWWCGLC-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC[C@@]12CCC[C@@H]1C2)CC1CCC1	2310375084	OUPWLIWMSGHXNT-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CC[C@@]23CCC[C@@H]2C3)C1	2310387848	QFAQDCPNZGBSDT-VVLHAWIVSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2C[C@H]2C2CCCC2)C(=O)C1	2311610071	AVOMSTGDXJBRJU-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@]12CCCC[C@H]1CCC2	2311610119	DKIDRYAXSUTEEP-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](N)C[C@@H]1CCCCC12CC2	2312663781	RLMIOOAPHZRJBA-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@@]12CCCC[C@@H]1CC2)[C@@H]1CC1(C)C	2313347617	ZALHDUHSEQHZMG-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@@H](NC)C(C)(CC)CC)ccc1C	2314702337	LMZMDXBSTWCDPR-MRXNPFEDSA-N	247.426	4.644	0	10	BJAE	
CC(C)=C(C)CCNC[C@H]1C[C@H]2CCC[C@H]1CC2	2316859061	RHYKSXONDBGESC-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
O=C(CC[C@H]1C[C@H]2C=C[C@H]1CCC2)C1CCCC1	2317123669	GOWABVHJWQJDSU-FMKPAKJESA-N	246.394	4.518	0	10	BJAE	
CCCC1([C@@H](CCCC2=CCCCC2)NC)CC1	2318587491	ASIWMOGAQPSQHF-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC(C)[C@@H]1CCCN(CCCC2=CCCCC2)C1	2318595399	PHZIUCHOFGYOPV-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CCCNC23CCCC3)C1	2319138926	PPSKDEKDCMCNHG-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@@](C)(N)C23CCC(CC2)C3)C1	2319311378	JUMBVRILXSDVPN-OBKBAYEDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC[C@@H]2CC[C@H]2C2CC2)C1	2319692773	LFMWYNPVRALNOR-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
C[C@]1(C(=O)CC[C@H]2CC[C@H]2C2CC2)C=CCCC1	2319697598	AATLCSJAIQAFKJ-VYDXJSESSA-N	246.394	4.518	0	10	BJAE	
N[C@H](CCC1CCCC1)CC[C@@H]1CC[C@@H]1C1CC1	2319726823	MMLMWWLLVTYDBN-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC[C@@H]1CC[C@@H]1C1CC1)c1cccc(N)c1	2319737688	MQDGCMATSHASLX-XNJGSVPQSA-N	243.394	4.589	0	10	BJAE	
CCC1(C)CC(CNC[C@H]2CCC(C)=C(C)C2)C1	2320409554	VYVHJEABWLFAEB-GTPINHCMSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2320415256	YUQYIHWETIJRBU-UWWPHRKUSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)[C@@H](CC2CC2)C2CC2)CCCCCC1	2320815308	ZPKSLXOOKPEOHF-JKSUJKDBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2Cc3ccccc3N2)C1	2321607934	KDXLHLOHUVNVGU-DZGCQCFKSA-N	243.394	4.630	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@]23CCC[C@@H]2CC3)C1	2321634937	WOOPCFOLEGQKSS-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc2[nH]ccc2c1	20520263	YWGABHXGXAIHDM-CYBMUJFWSA-N	244.382	4.939	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)c1cc(C)ccc1C	35489550	JBHQLAYWNAHODA-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CCCCc1ccc([C@@H](CCCC)NCC)cc1	35548040	LINKBHJGUKGPIW-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CCCCCN[C@@H](C)c1oc2ccccc2c1C	37188795	YKSDEKWLLKLFIE-ZDUSSCGKSA-N	245.366	4.582	0	10	BJAE	
CCCCC(CCCC)(CCCC)C(=O)O	59379456	IXIWOUFBDIJQAP-UHFFFAOYSA-N	228.376	4.628	0	10	BJAE	
Cc1ccccc1COc1cccc2ccccc12	70236604	OIVVNPOLLAVIAF-UHFFFAOYSA-N	248.325	4.727	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)C2CCCC2)cc1C	70305706	MDQDEPXOYNJNFJ-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
CCCN[C@H](CCC)CCC1CCCCC1	71083925	WRYKRIUGONWTGH-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
Cc1cc2nc(C(C)C)cc(Cl)c2cc1C	77255149	GENCZBXBBHLLQQ-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCC[C@H](CC)C1	85064471	MEQSPTJDYFLSKJ-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CCC[C@H](CCC)CC1	92596561	DHSYCNMMQUCUAH-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC/C=C\C[C@H](CC)c1ccccc1OC	107540848	FSYBZBDWGGPICT-FWWRYZNZSA-N	218.340	4.545	0	10	BJAE	
CC[C@@H]1O[C@H]1C[C@@H](CC)c1ccc(C(C)C)cc1	107635463	KNJWLOUBRMAVRM-COXVUDFISA-N	246.394	4.871	0	10	BJAE	
CCCCC1CCC([C@H](NC)C2=CCCC2)CC1	110229724	LEPLJXVOCLVHKG-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
Cc1c(Cl)cc(Cl)c(Cl)c1Cl	115008872	UURGNCIPRITNBJ-UHFFFAOYSA-N	229.921	4.609	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C1CCCCCC1	124202751	CPQNQVFLAZSADY-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(C)c(Cl)c1	124784867	NUMDAVFDEIIIRA-CQSZACIVSA-N	239.790	4.619	0	10	BJAE	
CCCCCCc1ccc2cc(C)ccc2n1	139999903	VJVONCSRKFPDAY-UHFFFAOYSA-N	227.351	4.666	0	10	BJAE	
CCC[C@@H](C)CC(O)(CC(C)C)CC(C)C	163722723	GWBVVEINRNYYSV-CQSZACIVSA-N	228.420	4.636	0	10	BJAE	
O=C(C1CCCCCCC1)C1CCCCCC1	167700248	KIMAYJNKQGKDGG-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCC(=O)c1cccc(-c2cccc(CC)c2)c1	168251056	JJPZCDMYGKKKCV-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)Cc1ccccc1	225970020	YBSWSSAKCCYZHX-WBVHZDCISA-N	247.426	4.566	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCC(C)(C)C1	225981529	YOQLIVKUYDDTKM-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CC[C@@H](NC)C(C)(C)C	227182226	ADFWLRTXANJAMA-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)NCc1ccc2ccccc2c1	227218168	HPEWGRNJRWHKPP-UHFFFAOYSA-N	241.378	4.508	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1CCC[C@@H](CC)C1	227390126	LSVPAHXWOKGCIV-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)c1ccsc1C	227915079	QRAKZXZVTDMMJY-TZMCWYRMSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cccc(C)c1Cl	229273022	VDQPDVKWKPAPEJ-GXFFZTMASA-N	240.774	4.508	0	10	BJAE	
CCCC(CCC)[C@H](O)CCCc1ccccc1	229333772	NZTZMJPPPIRVCI-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C1(CC)CCCC1	229337516	FJICNMXBKVDBMY-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(=O)CCCC(C)C)c(Cl)c1	232558595	HVOULLATHOAORB-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC[C@H]1CCCC[C@H]1c1cccc2c1CCCN2	234061272	GVHOPDDGMSBQPO-UONOGXRCSA-N	243.394	4.729	0	10	BJAE	
C[C@H]1CC(C(=O)C2(C)CCCCC2)C[C@H](C)C1	235628187	WVSLQPFIFRJBAV-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCCCC[C@H]2C)cc1	251453383	DQWMIJCHMIBFBK-VYDXJSESSA-N	245.410	4.614	0	10	BJAE	
CC(C)C[C@@H](C)CNc1ccc(Cl)c(F)c1	300840183	DCSKWCUCTYCOSF-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](C[C@@H](C)CC(C)C)C1	302265475	CIAUFJAFWUBNFK-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H](C)CC(C)C	302588872	TZPPEQWDMBNRJB-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CNc1cc(Cl)ccc1F)C(C)(C)C	304299295	OUENQZWVTJYDNU-VIFPVBQESA-N	243.753	4.573	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)C1CCCCCC1	308042561	BXKYQVYYAILADB-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)C[C@H](C)CC(C)(C)C1	309995357	SDKJAVAFJJIACQ-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1c2nc(C3CCCCCC3)[nH]c2CC[C@H]1C	310910375	HBOARHAXUVYWFO-NEPJUHHUSA-N	246.398	4.533	0	10	BJAE	
CCCCC1(CNCCC)CCCCCCC1	317518039	RNNDSUQQQMCHCI-UHFFFAOYSA-N	239.447	4.907	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)[C@H](C)[C@H](C)CC	319475630	ADUORSYHTCJVGB-LXTVHRRPSA-N	241.463	4.719	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCCC23CCCC3)c1	328182127	NOAWRDWWUGXNOQ-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CC[C@H](NC(C(C)C)C(C)C)C1CCCCC1	379827368	VOCKHCNNGVKVLT-HNNXBMFYSA-N	239.447	4.616	0	10	BJAE	
Cc1cccc(NC[C@H](C)C2CCCCC2)c1	379895549	HARXMOUXCHUQQQ-AWEZNQCLSA-N	231.383	4.623	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)C2(C)CCCCC2)C1	379996809	WHJPDSKKOANSNP-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC1(C(=O)c2c(C)ccc3ccccc23)CC1	380754680	NXVVHZFYLZEQGC-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)c1cc(C)cs1	386208059	DAPGGNCNWZEMKK-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@H](C)C(C)(C)C	386585721	IISSGSSHYCUTCU-BBRMVZONSA-N	247.426	4.882	0	10	BJAE	
C[C@@H](CN[C@H]1CC12CCCCC2)C1CCCCC1	387374411	XWWCWGXODFLYIW-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CC[C@H](C)C[C@H]1C	391222141	ZPCCRMGHNKDPGN-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)(C1CCCCCC1)[C@@H]1CC1(C)C	397585891	AOQKWHMPHQIOOE-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
C[C@H]([C@@H](N)c1csc2ccccc12)C(C)(C)C	399166335	KCEITMKCROIHLE-QMTHXVAHSA-N	247.407	4.583	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CC[C@H]2C[C@@H]2C1	403693342	ZPDXCBUBMBLZLF-SNPRPXQTSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)CC(C)(C)C1CC1	405771232	ZWDMBLHDFGICST-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
c1csc(SCc2ccc3c(c2)CCC3)c1	572200887	JZRISNXELUDJCU-UHFFFAOYSA-N	246.400	4.529	0	10	BJAE	
N[C@@H](CCCC1CCC1)CCC1CCCCC1	688358438	KNFFSPRJAFBLPM-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCCCC[C@@H]2C)c1	691076374	XVKIYFFTACKSAN-ZFWWWQNUSA-N	231.383	4.684	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](c1ccccc1)C(C)C	695097844	IBBHQAGCRZTXRN-ZBFHGGJFSA-N	247.426	4.798	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC2(CC2)C1)[C@@H]1CC1(C)C	695724163	ONTOKKAYKOMMMC-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CCC(=O)CCC1CCCC1	696661628	FIPIODKVOQBTST-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC(C)(C)CCC[C@@H](CNC)c1ccccc1	696805857	LISFHEMJYMIDSW-INIZCTEOSA-N	247.426	4.596	0	10	BJAE	
CC(C)NC/C(=C/[C@@H]1CC1(C)C)C1CCCCC1	700663359	LYBUYQSGVDDOCS-DDITZMBXSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)C(C)(CC)CC	701134691	VSLJXYINALNOSK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCc1ccc(C(=O)[C@]2(C)CC2(C)C)cc1	702142649	UMAXWTMSVSNTJW-KRWDZBQOSA-N	244.378	4.648	0	10	BJAE	
Cc1c(Cl)cccc1OC1CCCCCC1	702648586	HIFPPPZEFJKSQX-UHFFFAOYSA-N	238.758	4.750	0	10	BJAE	
CCc1ccc([C@@H](O)[C@H](C)CC(C)C)cc1CC	704721161	BZPAFPFKYQUFDJ-DYVFJYSZSA-N	248.410	4.527	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@H]1CC2CCC1CC2	704942876	SPXYNPGADZHLLM-LKRQVQDUSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)C1CCCC1	704965579	DMLKCWBZZPYECL-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
NC1(CC2CCCCC2)CCC(C2CCC2)CC1	707755358	JIUKBFIDQJRFBP-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C[C@@H](C)CC(C)(C)C	709166328	OIDQMSACKWEYEC-RBSFLKMASA-N	242.447	4.882	0	10	BJAE	
CC[C@H](C[C@@H](N)CC1(C)CCCC1)C(C)(C)C	711113244	NEQKHVVAXCBTHV-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C[C@H](N)CC1CCCCCC1)C(C)(C)C	711154936	YQLAEXKUTVYOIH-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CC(C)(C)C(C)C)[C@H](C)CC(C)(C)C	713131876	MACSSGYQUMRBRQ-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
Cc1cc2ccccc2n1CC(C)(C)C(C)C	713234227	AKTLZFXUSVCJSV-UHFFFAOYSA-N	229.367	4.632	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC(C)(C)C(C)C	713239745	CTPZZRUUKOIKNO-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
C=C/C=C/CC[C@@H](NCC)c1ccccc1Cl	713710196	NIQIVKWWTFILSF-LLYBFZRZSA-N	249.785	4.513	0	10	BJAE	
CC(C)CCCCCC1(CO)CCC=CCC1	718052379	XYHMLIWCTFPUJX-UHFFFAOYSA-N	238.415	4.702	0	10	BJAE	
CC(C)CC1(CNC(C)(C)C)CCC=CCC1	718110093	OKQZQGPZOIRBDJ-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(N[C@H]2CCCCCC2(C)C)cs1	719201076	YMJZDWQVFYGORV-ZDUSSCGKSA-N	237.412	4.827	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1CCCC2(CC2)C1	719259753	KYMIVICFPOUGFW-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C(C)(CC)CC	721701807	LPDWRDINZIXVQQ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](C)CCNCC1CCC(C)(C)CC1	1203511260	RQUDNWZPXUZVAZ-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](SC1CCCCC1)c1ccc(F)cc1	1652477841	GTFGVPAGLOUKKP-LLVKDONJSA-N	238.371	4.953	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](CC)C[C@H](C)CC	1653035491	SRIJNLNWRBLVSH-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](NC1CCC2(CCC2)CC1)C1CCC1	1658323803	WEFIESQZQRJQIM-INIZCTEOSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1cc(F)cc(Cl)c1	1901713144	ZSGNQVMSVCJXNG-UWVGGRQHSA-N	243.753	4.572	0	10	BJAE	
COc1ccsc1CCCC1=CCCCC1	1901963377	YTKKKUNAQYLEKL-UHFFFAOYSA-N	236.380	4.580	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1CC[C@H](C)CC1	1905443593	IKHRXWDOPHOYQW-MGPQQGTHSA-N	224.388	4.598	0	10	BJAE	
C[C@H](CC1CCC1)N[C@]1(C)CCCC(C)(C)C1	1909697435	KAEWRWVZXSPZRX-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1C[C@H]1C(C)(C)C	1910806954	AGDVLDCRLFFSDQ-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
C=CC=CCC[C@]1(CNCC)CCC[C@H](CC)C1	1911794443	LTCMPRPUKYDCND-IRXDYDNUSA-N	249.442	4.705	0	10	BJAE	
CCC=CCN[C@H](CC(C)(C)C)c1ccccc1	1912003384	XAHVROXZZLLAOS-MRXNPFEDSA-N	245.410	4.720	0	10	BJAE	
C=CC=CCCC1(CNCCC)CCC(C)CC1	1912038125	ODKIGLRBWDNGJT-UHFFFAOYSA-N	249.442	4.705	0	10	BJAE	
CC1CCC(C[C@H](N)C2CC3(CCCC3)C2)CC1	1912645314	JYPODPXQEAWBQR-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCCC[C@H]1CCCC1CC1	1913415716	RAQBJECZUBNBLU-HNNXBMFYSA-N	236.399	4.886	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CCC2(CCCCC2)C1	1915915408	XLXKDDCQZPIUDF-OAHLLOKOSA-N	231.383	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CNCC)C=CCC1	1916345104	SDJPJKVCMPWYLO-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@](C)(O)CCC(C)(C)C1CC1	1919949031	QSDOMUZPKPFZDN-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCc1ccccc1[C@@](N)(CC)C[C@H](C)CC	1920200699	DFTSMHMCMAUWSE-RHSMWYFYSA-N	247.426	4.639	0	10	BJAE	
CC(C)CCC[C@@](C)(N)c1ccc(C(C)C)cc1	1920440452	LXOKZJVXHCUXQD-QGZVFWFLSA-N	247.426	4.810	0	10	BJAE	
CCCC[C@@H](NCCC)[C@H]1CCCC12CCC2	1921630596	RVSCOPDEIPEYGZ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)[C@@H](C)C1CCCC1	1924078787	PHKYJTKPBRMFRE-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C(=O)[C@@H]1CCCC[C@H]1C)C1CCCCC1	1924080016	ZZYBFBNMYXJYGH-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C1CCCC1)[C@H](C)CCC	1924124120	HZJNKHGNSYDAPV-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1CCC[C@@H]1C	1925892689	PKDDTGHLRYTGRG-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1(C)C(C)(C)C1(C)C	1940282744	OYSULNBICYPPLK-LBPRGKRZSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CCC[C@@H]1CC1(C)C	1940873867	CRHJHXGSASVKOF-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CCC[C@@H]1CC1(C)C	1940880740	BNIWTWNYYIHPBD-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C(=O)c1ccc(CC)cc1)C(C)C	1941265800	YHPPTYPVKHLHBS-HNNXBMFYSA-N	232.367	4.504	0	10	BJAE	
Cc1c(N)cccc1SCCCCCC1CC1	1941574687	DMNNBTFORIQYCL-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1CCCCCC1CC1	1941688023	RADWZMRXCCYRSH-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](NC)[C@@H](C)CCC(C)C	1942653984	WPESMVBWEDLVEA-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CN[C@@H](C1CCCCCC1)[C@@H](C)CCC(C)C	1942661993	MZYHLXXXBVWLHD-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](O)CCC1CCC1	1944618583	ONOSDLGWTQVCJM-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CCC[C@@H]2C)CC1	1944847255	VZTXHYMGGPGBIQ-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@H](N)[C@H]1CCC(C)(C)C1)CC(C)(C)C	1945583809	CJKCDGZFDIEURI-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC1(CCC)CCC1	1947459232	AYEOLEVXGYHZRN-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H]2C=CCCC2)C1	1947551490	GKZHJRHHJXLYSZ-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCC1)CC(C)(C)CC	1947584335	FVYXZGSNPJIBSD-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(F)(F)CCNc1ccc(C(C)C)cc1	1947889116	RVOVIABHMAANTD-UHFFFAOYSA-N	241.325	4.657	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@H]1CCC(C)(C)C1	1949534518	DWDXVNGBZGLLKC-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC1CC2(CCC2)C1	1949839522	AUOMTGOZQVNWIN-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H]1CCC2(CC2)C1	1950268792	VXZUKNPNASHUSS-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCC=CCNC[C@H]1CCCC(C)(C)CC1	1950917618	GRGADAWBIHFAFE-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CCC[C@](CN)(CCC2CCCC2)CC1	1950929186	FGVXQCSAIJXMQP-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
Cc1ccc(C)c(NCC[C@@H]2CCC[C@@H](C)C2)c1	1968230615	SNRXVTPSZFSFIW-CJNGLKHVSA-N	245.410	4.932	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC23CCC3)cc1C	1968255501	YIUQCAAXQJKQSB-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
CC1(C)CC[C@H](CNc2cccc(Cl)c2)C1	1968260448	PVDXXLGHOQKQJA-NSHDSACASA-N	237.774	4.578	0	10	BJAE	
CCCN(CCC)Cc1cc2ccccc2s1	1968278945	QESJPFZKRKNCNQ-UHFFFAOYSA-N	247.407	4.523	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCCC2(CCC2)C1	1968312614	NGMBCSGFXKSEDR-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
CCc1ccccc1N[C@@H](C)C1CC2(CCC2)C1	1968360023	KFGAHIMAWSSKJF-ZDUSSCGKSA-N	243.394	4.630	0	10	BJAE	
Cc1cc(N[C@H](C)CCCC(C)C)ccc1F	1968590905	AEYVDMZRAXWWHM-CYBMUJFWSA-N	237.362	4.761	0	10	BJAE	
CCC(CC)N(CC[C@@H]1CC1(C)C)CC(C)C	1971358738	HARCNGFQAJCGAJ-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CNC1CC2(CCCCC2)C1	1972428047	DHZGXGIYQZVQCK-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1cc(O)cc(-c2ccc3ccccc3c2C)c1	1972565017	NQMLHHONVBSLRD-UHFFFAOYSA-N	248.325	4.829	0	10	BJAE	
Cc1cscc1N[C@H](C)C1(C)CCCCC1	1975577168	ZOTIGDBBILGUFH-GFCCVEGCSA-N	237.412	4.827	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CC[C@H](C)C1	1975749458	OYHQBIFXBZRACE-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C)Nc1ccccc1SC1CC1	1975970051	FDKIZCSXJCXXSQ-LLVKDONJSA-N	235.396	4.542	0	10	BJAE	
CCC(C)(CC)[C@@](N)(CC)C1CCCCC1	1975987516	BUBDRTVFMAKNGU-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCC(C)(C)CCC1=O	1984463296	YJJFPKBJFMMQRN-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1(C(C)C)CCC1	1989448820	NHKCXTZAEKSEER-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](CC)NCCC1CCCC1	1990092562	AZMNITZLHBEKBF-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCC1(C[C@@](N)(CC)C[C@H](C)CC)CC1	1990639999	IRAPFAQBYIUCRK-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)C12CCC(CC1)C2	1995986220	DCICNPFWNPOOKG-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CCCCC2)CC1	1997116872	NNOLTHIMQGJMHI-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCSc1cccc(N[C@@H](C)C2CC(C)C2)c1	1998652035	STWUFFITXPKRIR-CPCZMJQVSA-N	249.423	4.645	0	10	BJAE	
CC(C)CCCCCN[C@H]1CCC2(CCC2)C1	1998694039	RUKDDIKOSRKVJU-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
O=C(CCC1CCC1)C[C@@H]1CCC=CCCC1	1999984348	XLNYFGGNTNCZQS-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC=CCCC1)C(C)C	2000000153	ZQKICRHQXDJQPW-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H]1CCC=CCCC1	2000002351	WJFJWVYEHBINND-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]([C@H]1CCCC(C)(C)C1)[C@H](C)CC	2000052447	VTZBXKFFONEDJV-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)[C@H]1CCCC(C)(C)C1	2000062540	MVKJZWNDMLXQKF-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCCC1(F)F	2001806225	JSEGGTCGPPKUTD-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CC(C)C1CC(C(=O)C2CCCCCCC2)C1	2002327885	UCBZEPSZXDPOBO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@]1(C)CCCCC1(F)F	2002596775	UFEQHVXSZUIOPQ-YPMHNXCESA-N	246.341	4.597	0	10	BJAE	
CCCC1CCC([C@](C)(N)CCC(C)C)CC1	2002923902	CXWHDPQPVZEZLY-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)[C@@H]1CCCC(C)(C)C1	2002979893	UUZOBKHAVZRHSU-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CC[C@](N)(C[C@H]1CCCC2(CC2)C1)C(C)(C)C	2003219636	ALAIVGBPJJMZQX-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(N)([C@@H](C)CCC(C)C)CC1	2004342389	RVQDHKZOLSFWIX-FHERZECASA-N	239.447	4.747	0	10	BJAE	
CCC1(CC)CCC(O)(C[C@@H]2CC2(C)C)CC1	2004354155	WEHHTOPPBTUNPS-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CSc1ccc(N[C@@H]2CCCCC23CC3)cc1	2005530136	OTDGTVGTKONCDP-CQSZACIVSA-N	247.407	4.543	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CO)CCCC12CC2	2005572022	LJEBKPRKEPBHEU-ZBFHGGJFSA-N	238.415	4.536	0	10	BJAE	
CCN[C@@H]1C[C@H](CC)C[C@@H](CCC=C(C)C)C1	2006629256	DXDIGIYNHKQRPH-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H](C)c2ccc(C)s2)CCC1	2006913440	HFWSAQROBSAKKP-KBPBESRZSA-N	249.423	4.596	0	10	BJAE	
CC=CCCC[C@@H](CCC(C)(F)F)NCCC	2009621077	AQXPUGAJJPAIMH-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CC(C)(C)[C@@H](N)CC1=CC[C@H](C(C)(C)C)CC1	2010729505	OWOKAZJTVCBODL-KBPBESRZSA-N	237.431	4.523	0	10	BJAE	
CC(C)C(CC=C1CCC(C)(N)CC1)C(C)C	2015357143	KDAWCPSBVIALOF-UHFFFAOYSA-N	237.431	4.523	0	10	BJAE	
CC(C)C(CC(=O)[C@H]1CCCC1(C)C)C(C)C	2015385342	DDJPOJWGBNWDMQ-CQSZACIVSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCCCC[C@H](N)C(C)(C)CC(F)F	2016022125	BPBSQWZGVQCCJT-LBPRGKRZSA-N	249.389	4.602	0	10	BJAE	
CCCC1CC(O)(CC2(C(C)(C)C)CCC2)C1	2017119489	SGNBGEUZSKBDEM-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)[C@@H](CC1(C(C)(C)C)CCC1)NC	2017142654	XJAKJJNXFRJMEB-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C(CCC)CCC	2017484756	AUKAWRYUUCCUCK-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCCC1CCC(C[C@@](O)(CC)CCC)CC1	2017650587	IRWNECJBXLSMSY-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(O)(C[C@H]2CC[C@H](C)CC2)CC1	2017651053	OYEGLWDRIIAYKG-OIBGERBOSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@@H](O)C2(CC)CCC2)CC1	2017651748	XYSQFUVQXTYMHT-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(O)[C@@H]1CCC2(CCCC2)C1	2017703222	RMYWOFBBBWIFBW-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H]1CC[C@H](C)CC1)NC	2017721332	ANJWJPXBVASDFH-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](N)CC2CCC(CC)CC2)CC1	2017732239	ZLHCXLUNBSRQIU-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CC(C)=C[C@@H](C)C1	2018079854	QEIMIDHORMAYRO-KBMXLJTQSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H]1CCC2(CC2)C1	2018128191	WUTVNMMDSVCPAK-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CCC[C@H](CC)C2)CC1	2018965871	VQOSIWLHKVEBEB-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CC(C)(CCN)CC1CC(C)(C)CC(C)(C)C1	2024096043	UEXSCFSERIUOBB-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
C[C@@H]1CCC[C@](O)(C[C@@H]2CCCC(C)(C)C2)C1	2024129500	VYBILVNPKLKOPL-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@H]1CC(C)(C)CC[C@H]1O)CC(C)(C)C	2024145163	CVRVFWIKSADUNG-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CC1(C[C@@]2(O)CC(C)(C)C2(C)C)CCCCC1	2025018251	FTVQSZBTKQMPEC-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@H]1CC=CCC1	2026165548	CIFKRTOMSBCDBO-HRCADAONSA-N	238.415	4.700	0	10	BJAE	
CC(C)Cc1csc([C@H]2CCCC3(CC3)C2)n1	2026525768	YNSXVYYVOLPATD-LBPRGKRZSA-N	249.423	4.779	0	10	BJAE	
CN(CC1(C)CCCCC1)[C@H]1CCC12CCCC2	2027295498	GTQJYRYWENSOGP-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1(C[C@]2(C3CC3)CCCCCN2)CCCCC1	2027301586	KPWUPKVTRNTHOY-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CC1(C)CCCC1	2027517883	LTDXZTGIADUSRA-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1ccccc1C(C)C	2027518660	UGQCWXNKBWCORN-WMLDXEAASA-N	248.410	4.916	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)c1ccccc1C1CC1	2028615357	UKLAWNAHQLYWSF-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
O[C@]1(CC2CCC=CCC2)CCC12CCCCC2	2028876345	ZCYYIWNZVPACEK-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1[C@H](N)C(C)(C)C1CCCCC1	2032338342	FTVVIDMVHNOIEV-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC(C)C[C@@H]1CNCCC1=CCC1CCCCC1	2032491405	TYBITNALRAZHAA-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)[C@@H]2CC(C(=O)CCC3CCCCC3)C[C@H]21	2032599089	PODGBTIDYHJZLU-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@@H]1CCC(C)(C)C1	2033402476	PXWIAJIWPGNTGR-CZUORRHYSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@H]3CCCC[C@@H]32)c1	2034264632	RKUASJQYKFCJCD-OWCLPIDISA-N	243.394	4.684	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCCC[C@@H]1C[C@@H]1C=CCC1	2035590611	KSMMEGQAGTXDOW-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@@]1(CNC2CC2)CC12CCCC2	2036103059	BKUKYDVINLINNQ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@]1(N)CCC[C@@H](C(C)(C)C)CC1	2037136016	SSUDIJOAUJTWIG-WBVHZDCISA-N	249.442	4.833	0	10	BJAE	
CC(C)(CC[C@]1(N)CCC2(CCCC2)C1)C1CC1	2037158557	ANPRJMKYALVRSX-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCC1(C)CC(C(=O)[C@@H]2CCC3(CCCC3)C2)C1	2037682561	MYKRYPPDUBMXAJ-VQCLRJIVSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc(NCC2CC3(CCC3)C2)c1	2038086613	XSZMNPBPFDJFAC-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
N[C@H](CC1CCCCCC1)CC1CC2(CCC2)C1	2038091062	YNIIRWULZZTBOZ-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC1CC(CCN[C@H]2CCC3(CCCCC3)C2)C1	2038091305	BHDHOYUZIKORKV-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@@H]1CC12CCCCC2	2039013421	XOPYTIPLHPBFLM-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CNCCC23CCC(CC2)C3)CC1	2039421853	SFWHLMODUJPIMS-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)C1=CCCCCCC1	2039433161	AEMNEZJVIQWIJZ-UAGQMJEPSA-N	247.426	4.587	0	10	BJAE	
CCC1CCC([C@H](N)[C@H]2C(C)=CCC[C@@H]2C)CC1	2039442137	QWFYEJDZBOQESP-VMAZRHSESA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2C(C)=CCC[C@@H]2C)C1	2039453727	VAVOPLXIMMSMKQ-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042338063	AZBPKJBZOJUHCN-MUJYYYPQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1c2ccccc2CN1[C@H]1CCCC(C)(C)C1	2045530167	WMZQQXHYCPYBQN-HIFRSBDPSA-N	243.394	4.532	0	10	BJAE	
NC1(CC2CCCC2)CCC2(CCCCC2)CC1	2045669685	GGUOXPYZEYXRMT-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CC(C)CN(C[C@@H]1CCC[C@@H]1C)c1ccccc1	2046578720	HEMYGHSCXYKIKO-HOTGVXAUSA-N	245.410	4.585	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2048369564	FRORCKIETCXUOO-TTZDDIAXSA-N	248.410	4.598	0	10	BJAE	
CCC1(C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)CCCC1	2048473071	JYTZAXQEYVVYRJ-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](NC1CCC=CCC1)[C@@H]1CCCC(C)(C)C1	2049533778	SXDHXRUOPNAKNC-HUUCEWRRSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)C1CC(N)(C[C@H]2CCCC3(CC3)C2)C1	2049856173	LEBYHFJWPJYHOM-CBCUQQMYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](O)CC[C@H]2CCC[C@@H](C)C2)cc1	2050441096	KDZQZDCGOIGZMN-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
O[C@H](CC1=CCCCCCC1)c1ccc(F)cc1	2050450478	QVZFHGDGKMNTQL-MRXNPFEDSA-N	248.341	4.530	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H]2CC[C@@H]21)C1CCCCC1	2052288612	OKJSHLQUNBKADG-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC1(CNC(C2CC2)C2CC2)CCCCCCC1	2052504257	FKWFVXXKSMNNLC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CN(CC1(C)CCCC1)[C@@H]1CCCCC12CCC2	2053434876	XRQIGTAWVNVLPS-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@H](CC2CCC=CCC2)C1	2055028949	NTXKQKVERMJBGC-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC)C[C@@H](CC2CC=CC2)C1	2055030234	JMZFYFKGOHSIMT-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](N[C@H]1C=C(C)CCC1)c1ccc(C)cc1	2055552902	UFDNERJIRMHLMB-IAGOWNOFSA-N	243.394	4.535	0	10	BJAE	
CCC1CC(CC(=O)[C@@]23CCCC[C@H]2CCC3)C1	2056665398	CGKJPFHIDHYOAT-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)cc(NC[C@H](F)C2CCCCC2)c1	2058032810	ZNOJKZXTMQDQDA-INIZCTEOSA-N	249.373	4.634	0	10	BJAE	
C/C=C/CCCC(=O)c1ccc(CC(C)C)cc1	2059196588	RHZCUPINBAUGTM-SNAWJCMRSA-N	244.378	4.814	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@]12CCCC[C@@H]1C2	2059256502	PNBJPXODUQRFKG-NVXFWENBSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1C[C@H]2CC[C@H](C1)C2	2059267899	SXXGJHFMDNFREZ-AOTZHLFQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)C1CC(C)(C)C1	2060924927	HMLSAVISHCTUKH-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](N)(CC[C@]12CCC[C@@H]1C2)C1CCCC1	2061617553	PXLGHDUPPRYIGC-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)C2CC(=C3CC3)C2)C1	2061735467	ZEUNSWHFIRTAJG-ITGUQSILSA-N	246.394	4.518	0	10	BJAE	
CCC[C@H](NC1CC2(C1)CC2(C)C)C1CCCC1	2064118447	TYEANMDFMJLKFJ-CKDBGZEDSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC12CC(C(=O)C[C@@H]1C=CCCCC1)C2	2064130414	NLMFIPMTHZEIOF-TUBUQKNSSA-N	246.394	4.518	0	10	BJAE	
CC1(C)C[C@H]1CC(N)(C1CCCC1)C1CCCC1	2065937364	KXAATNZJSGZKOI-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068762794	CECGSPMSAYJNTG-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC1(N)CC2(CCC(C)(C)CC2)C1	2070975789	NCPOYJXIDJUUAU-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](NC)c1cccc(C(C)C)c1	2071506077	QXQNGRBNHLUXBW-COXVUDFISA-N	245.410	4.507	0	10	BJAE	
CC1(C)CCC(C[C@H]2CNC23CCCCC3)CC1	2072187977	JGDOIEJQTYLDID-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](CC1CC2(C1)CC21CC1)NC	2072238436	GZIYRBMUOUMVMY-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(C3CC3)CCCCCN2)CC1	2072798874	NQEMPNGCDITVBZ-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@]12CCCC[C@H]1C2)C1CCCCC1	2074028024	FAWVTAWHTSLFHC-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCCCN([C@@H]2C=CCCCCC2)C1	2074796688	JQLJSDAGBDXJIS-DLBZAZTESA-N	249.442	4.778	0	10	BJAE	
CCC1(C)CC(CN(C)CCC2=CCCCC2)C1	2075146719	RCGKZJKGSJRENB-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCc1ccccc1CN(C)[C@@H](C)C(C)(C)CC	2075207007	DRRGXHKIURKEIX-AWEZNQCLSA-N	247.426	4.506	0	10	BJAE	
CC1(C)CCC[C@H](CC2CCC3(CC2)CC3)[C@H]1N	2076396402	UDQQBSCWOBJTQK-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCCNC[C@H]1C[C@H]1C1CCCCCC1	2079457482	IGINNMZFOVVBKJ-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1NC1CC2(CCCCCC2)C1	2079538075	SFRYAEHCGFDSCF-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@@H]1CCCCC1(C)C	2080221392	SFAFHGNLEWZJAD-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1[C@H]2CCCC[C@H]12	2081774225	GORAUSMRIDRYKB-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC=C(C)C)C1=CC[C@@H](C(C)(C)C)CC1	2081783776	YVDBGVKASDZHDR-CVEARBPZSA-N	249.442	4.703	0	10	BJAE	
CC[C@@H]1CCCCC1=C1CCCNC12CCCC2	2083816154	PUGVEMKKKNWGSI-CQSZACIVSA-N	247.426	4.579	0	10	BJAE	
CC=CCCCc1cccc(C(C)C)c1OC	2213177571	QWQQIVBNLYNZAC-UHFFFAOYSA-N	232.367	4.717	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCCCCC2CC2)[C@@H]1O	2213581679	ZOHGBZWYWPYUMI-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@@H]1CCCCC1(C)C	2215331354	KGBWELCQZBGDCR-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@]1(C)CC=C(C)CC1	2215816436	XSSLGKOJKATEOI-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCN(C)[C@H]1CCC[C@@H](C(C)(C)C)C1	2216248391	WUFYKFASUWHDJQ-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](C)NCC1(CC)CC2(CCCCC2)C1	2217124168	FDNJMPVYIWCHBB-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@H](CN[C@H](C)CC)CC(C)C	2217127802	XTHJUFOYFWXVTE-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CCCC(C)C)C1CC1	2217135992	KCZACAGDJAODQT-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@@H]1CCC1(C)C	2217154266	SFYZSVNWUDYSFL-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC1(CN[C@H](C)CC)CC=CC1	2217154914	YEARQLSUCBIXGF-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)CC=Cc1ccccc1	2219062019	IOAPAYLWVAUXKL-OAHLLOKOSA-N	246.394	4.523	0	10	BJAE	
CCO[C@@H]1C[C@@H](C/C=C/c2ccccc2)C1(C)C	2219077720	FYIPGYJXVQFBGP-ZVYLKZBJSA-N	244.378	4.541	0	10	BJAE	
CCCCCC[C@H](CC=Cc1ccccc1)NC	2219087108	HVRPABLUVAXBRS-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
CN[C@@H](CCCCC1CC1)CC1CC2(CCC2)C1	2220030035	ICWREJVWCDYXGW-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C[C@@H]2CC[C@H]2C)cc1	2220634706	UXUGSXTVYDIBNK-CJNGLKHVSA-N	244.378	4.504	0	10	BJAE	
CCCCCc1ccc(NCC[C@@H]2C[C@H]2C)cc1	2220932855	OKSIRMRJVASTSO-GDBMZVCRSA-N	245.410	4.877	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@H]2CCCC3(CC3)C2)C1	2221084622	VZNIZMVIFNVASV-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@@H]2CCCCCCC2=O)CC2(CCC2)C1	2221085736	IYDASMLJFWBINO-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
Cc1ccc(F)c(C(=O)CC2(C)CC(C)(C)C2)c1	2221088867	UBEGMIQKTPMJTC-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NC2CCC=CCC2)C1	2222271301	YRLGIJKYJAHGBN-GDBMZVCRSA-N	249.442	4.680	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1CC[C@@H]2C[C@H]21	2223106286	AEJNQSMLAZDURF-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@H](C)c1ccc(C)cc1	2223967922	IALKNVZBMNPDMS-ZMSDIMECSA-N	247.426	4.513	0	10	BJAE	
CCN[C@@H](CCC(C)C)c1ccc2occc2c1	2224131465	QSXJDTXCPWYNTE-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CCCCc1ccc([C@@H](O)[C@H](C)CCC)s1	2242605551	ZQRUMRVCDBSGPU-RISCZKNCSA-N	240.412	4.560	0	10	BJAE	
Cc1ccc(-c2nc(C)c(C(C)C)s2)cc1	2245943923	VUYYFMXGRWFLLC-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
CCCC[C@H](C)NCC[C@H]1CCCCC12CC2	2246641829	HVUUGDMAVILYEZ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](C)(N)CC(C)(C)C)C1	2246663737	NFDJUNJXZJXUBN-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CCNC[C@](C)(CC)CC[C@H]1CCC[C@@H](C)C1	2246665896	SZLDXHNPKWWOHB-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC[C@@H]1CCC[C@@H](C)C1	2246690733	BJUCENKZPVDALZ-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@@H]1CCC1(C)C	2247415722	GYDGFQHDBAYBNM-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C[C@@H]1CCCC12CC2	2247649550	BWOQBZASFFPGRB-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC1(CCC[C@@H](N)c2csc(C3CC3)c2)CC1	2248057168	UORRBWKALHNHFM-CYBMUJFWSA-N	249.423	4.596	0	10	BJAE	
CC(C)C(C)(CN[C@@H](C)CC(C)(C)C)C(C)C	2248370866	MTYHVMPQGDWPFN-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](O)CCC(C)(C)C	2248810389	YSIGLBACUCBOAJ-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC[C@H](N)C(C)C	2250484981	IWXHBIWSEUOSRT-HOTGVXAUSA-N	241.463	4.993	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@]12CCC[C@H]1CC2	2251196282	DJNKNRJQVZQHDQ-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](N)CC1CC(CC(C)(C)C)C1	2251492746	NOUPBQKSGFYQQH-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CCC1CC(C)C1)C(CC)CC	2251756842	GWRGNNQROHFNNI-XUJLQICISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@](N)(CC[C@H]2CCCCC23CC3)C1	2253840807	UAIFCKJGKIUGQS-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CCC1(C)C)c1ccccc1	2254957632	GBRFKIJZHMXTLM-ZFWWWQNUSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CC[C@@H]1CC1(CNC2CC2)CCCCC1	2255025312	PKNHONHYEMEHIY-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C1=C(CN2CCC3(CCCCCC3)C2)CCCC1	2255055777	CTZMGRHQRRJFIO-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
CCC[C@@H](NCC[C@@H]1CCCC12CC2)C1CCC1	2255239526	DRFRCZXJAWWCIR-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)Oc1cc(C(C)=O)ccc1C	2258835729	MAOWMPHBKAJQSU-HNNXBMFYSA-N	248.366	4.545	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)[C@H](CC)CCC	2259441020	BOXFADDAOYNGDK-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
C(CCCC1CC1)CCNC[C@]12CCC[C@@H]1CC2	2260532919	DOUCRLHSQCHWFI-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CCCc1ccccc1NC[C@@]12CCC[C@@H]1CC2	2260593636	XVRXBFKLCLLDPV-WBVHZDCISA-N	243.394	4.631	0	10	BJAE	
NCC[C@@H]1CCC[C@H](C[C@@]23CCCC[C@@H]2CC3)C1	2260658317	OIUJSNJXYCABGF-NXOAAHMSSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cccc(CC2CC2)c1	2261044499	SPRSWMRTBXAEPY-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H]1CCNc2ccc(F)cc21	2261338226	IVAZTBGTFSLWKF-FRRDWIJNSA-N	247.357	4.551	0	10	BJAE	
CCC(CC)CC[C@](C)(F)c1ccc(N)cc1	2300678889	OCIOGCGKOWZCRV-HNNXBMFYSA-N	237.362	4.670	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)C(C(C)C)C(C)C	2300707226	YXSLIXAYOUHAAQ-MRXNPFEDSA-N	241.463	4.848	0	10	BJAE	
CCC(C)=CCc1cc([C@@H](C)CC)ccc1O	2300922816	CPBRNKBYOBQFBW-ZDUSSCGKSA-N	232.367	4.805	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@](C)(O)CC1CCCCC1	2301866247	GAAGYIIXMZBULH-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CCCC1=CCCCC1	2302332196	SWPBYKZONKETKX-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C[C@H]1CCC(C)(C)C1	2302723423	SQTAQVDERIVVED-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](O)C2CCCCCC2)C1	2302892930	QKRLAIMZGZOLAG-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](O)C2CCCCCC2)C1	2302892931	QKRLAIMZGZOLAG-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1CC[C@H]1C(C)(C)C	2303475150	JYLQOPNTCHCOKZ-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC(c2cc(Cl)c3ccccc3n2)C1	2304043010	CQKZVKXDNDWMBO-UHFFFAOYSA-N	245.753	4.792	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CC[C@@H]2SC)cc1	2307626729	QXDWGTMDHFAKLV-CQDKDKBSSA-N	249.423	4.506	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cccc(C)c1F	2307750781	YOQSXMNTOCRJOK-LBPRGKRZSA-N	236.330	4.533	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](O)c1cccc(C)c1	2307818906	GRTPRDHSTSFRKK-GDBMZVCRSA-N	234.383	4.635	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CN)CCCCC12CC2	2307825226	YJKCRQNWOGACAP-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CCC)[C@H]1CC1(C)C	2307826070	ILDKTPKBTDOCSF-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)[C@H]1CC[C@H](CC)CC1	2307894254	QGNOPRHQYGEMBA-FPCVCCKLSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CN(C)C[C@H]1CC[C@H](C)CC1	2307911781	YBFHLAKSBBTFDN-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@H]1C[C@H]1C1CC1)NCCC	2310192270	VMQOFVFHOQCYTR-NVXFWENBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2311609120	MGGFKYYIEPRVEV-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1C[C@H]1C1CC1	2315876891	BNASJJMFWNDNOY-CVEARBPZSA-N	243.394	4.576	0	10	BJAE	
C[C@H]1C[C@H]1NC(C1CCCCC1)C1CCCCC1	2316367380	NUMWCQDRLIEDNU-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)[C@@H]1CC=CCC1	2316873986	JEWZCKGLWYYZJL-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H](C)CC1CCC1	2317929973	QGEXKYHXUBSIBY-GFCCVEGCSA-N	249.373	4.940	0	10	BJAE	
C[C@@H]1[C@@H](Nc2cccc(C3CCC3)c2)CC1(C)C	2318256122	UHRDKNYQBOCAON-WBMJQRKESA-N	243.394	4.801	0	10	BJAE	
CC(C)C[C@@H]1CCCN1CCCC1=CCCCC1	2318595858	SXIXRRCUIAKHNB-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@@H]1C)CC1CC=CC1	2318942777	AAOBBEZLJHVKLV-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@](C)(O)c2ccccc2)C1	2319030494	NXYNJBAEHWFCPM-PBHICJAKSA-N	246.394	4.501	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H]1CC[C@@H]1C(C)(C)C	2320201746	PYXIRVVNRHYIFS-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CCC[C@H](C)C2)CC1	2320400407	YWFRGCIKJAITRA-MAZHCROVSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@H]2CC=CCC2)c1	2320581903	PBOSTVRMOUWQGX-WMLDXEAASA-N	244.378	4.590	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@@H]2C[C@H]2C(C)C)c1	2320586480	HWXCARKQELNCEO-YESZJQIVSA-N	246.394	4.526	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@@H](CC1CC1)C1CC1	2320810854	KAANXHWEMWACLY-IRXDYDNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC12CC([C@@H](N)CC3CCCCC3)(C1)C2	2321595004	JPPSPOCVYVRIJY-GTPINHCMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@](C)(N)[C@H]2CC23CCC3)C1	2321603489	SIAYRLKFNRINIT-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)c1ccc(C)cc1C	36792366	VCWLGHWVASOMOM-CVEARBPZSA-N	247.426	4.923	0	10	BJAE	
CC(C)(Cl)Cc1ccc(C(C)(C)C)cc1	49649446	GWJUJMQNQGUZKN-UHFFFAOYSA-N	224.775	4.544	0	10	BJAE	
Cc1cc(-c2ccc(C(C)(C)C)cc2)ccc1O	65340453	JTLSTDKBLFYEIE-UHFFFAOYSA-N	240.346	4.665	0	10	BJAE	
CCCC[C@H](CC)CCC[C@@H](C)NCCC	70743982	AADWQJUZHXESRC-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](CCC)NCC	71083916	JMKNILAAUPTGLR-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCCCCNCCCc1ccc(C(C)C)cc1	76288114	ILUNZOIZGJLOBU-UHFFFAOYSA-N	247.426	4.522	0	10	BJAE	
CCCC[C@H](NCC)C1CCCCCCC1	87690566	NCLZEZJLQBNIBS-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC[C@H](Nc1cc(C)cc(F)c1)c1cccs1	91510595	IBVZTNQHMHFOCN-ZDUSSCGKSA-N	249.354	4.759	0	10	BJAE	
CCCC[C@H](CC)C/C=C/CCNC(C)(C)C	93674056	PAKGYSABQPWSAM-FEAKQIBJSA-N	239.447	4.927	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)C2(C)CCCC2)cc1	94906692	DTNPMEMDRRIKOA-CZUORRHYSA-N	246.394	4.814	0	10	BJAE	
CC/C=C\[C@H](C)Cc1cc(C)c(C)cc1F	107566913	NVOFWIKSMOPYDM-ZADCQDASSA-N	220.331	4.587	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](CC)c1ccco1	109759732	CFBRISZQUFXTKX-KBPBESRZSA-N	237.387	4.537	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(OCC)cc1	110154390	RVCKECNTXLVLAP-AWEZNQCLSA-N	249.398	4.714	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C[C@H](C)CCC	126087562	CAYKUZSARGEDIE-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC)c1cccc(CC(C)C)c1	165743928	WWJNMESSBKWYRA-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)(C)C)C1CCCC1	167505079	VNBPISMRXMGYKC-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCNCC1(CC2CCCCC2)CCCC1	203432479	CWSQIMSKURUCOU-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC(C)[C@@H]1CSc2cc(C(C)(C)C)ccc2N1	214912947	XGFJDKBUEXTEDP-ZDUSSCGKSA-N	249.423	4.526	0	10	BJAE	
Clc1cc(Cl)cc(N[C@@H]2C=CCCC2)c1	220420083	IMGLJJQTGRMCBB-LLVKDONJSA-N	242.149	4.514	0	10	BJAE	
CCCCCC[C@@H](N)c1cc(C)c(Cl)s1	226662666	FIHCILJAOLGJCE-SNVBAGLBSA-N	245.819	4.680	0	10	BJAE	
CCCC[C@@H](NCC)c1cc(C)c(Cl)s1	226671173	UJWIEAPOVSHWLY-SNVBAGLBSA-N	245.819	4.551	0	10	BJAE	
Cc1ccc(N)cc1-c1ccccc1C1CCC1	229615855	YFCRBDMPXNJNHN-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CC1(C)CCCC[C@H]1c1c[nH]c2ccc(F)cc12	232786604	WRZLIZWWTMSTOK-AWEZNQCLSA-N	245.341	4.991	0	10	BJAE	
CCC[C@H](C)[C@@H](CCC1CCCCC1)NCC	233345981	WOCJSHLFTNPFHH-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(C)cc1Cl	233348694	DECFYIZGJHILGG-NSHDSACASA-N	225.763	4.639	0	10	BJAE	
CC[C@@H]1CCC[C@H](Oc2cccc(C)c2C)C1	233929789	HYPXQRVHYDALCS-CABCVRRESA-N	232.367	4.651	0	10	BJAE	
S=c1cc[nH]c(-c2cccc3ccccc23)c1	236603497	AHBNUXVGHGTMKZ-UHFFFAOYSA-N	237.327	4.564	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)C[C@H](C)CC	250834946	UDVSQMRSKAUWOL-ILXRZTDVSA-N	227.436	4.760	0	10	BJAE	
CC(C)SCc1cc2cc(Cl)ccc2o1	258071859	PTHRSIGAOKVWSF-UHFFFAOYSA-N	240.755	4.728	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)C)c1ccc(C)c(C)c1	302257341	BDMSDJGGDWRTNK-CXAGYDPISA-N	247.426	4.636	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](C)CCC(C)(C)C	304400311	NZRRRNTYKVGDSX-BFHYXJOUSA-N	227.436	4.616	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@@H](C)CC(C)C	305905601	COEAAUJZWRXLKM-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)C1CCCCCCC1	305905973	CTOUWDGKCJZYSA-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCc1cc(N[C@@H]2/C=C/CCCCC2)ccc1C	306064085	XYSXZKBILQIEAT-MNDMWVCDSA-N	243.394	4.858	0	10	BJAE	
CCCC[C@@](CC)(CNCC)[C@@H](C)CC(C)C	306087595	HKWCBEDQKRIZNI-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCCN[C@H](CC1CCC(C)CC1)c1ccoc1	310971637	IGRSNOQUHBNZLQ-ZBCRRDGASA-N	249.398	4.537	0	10	BJAE	
CCC(CC)C[C@]1(O)CCCC12CCCCC2	313003023	AFXWIOWFJQOLSH-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)NCC1(CC2CC2)CCCCCCC1	317820380	CKILBZNMZBPLGU-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](NC)c1ccc(C(C)C)cc1	318956499	YDSZGVSKGVVJHO-GRDNDAEWSA-N	247.426	4.753	0	10	BJAE	
CCN[C@H]([C@H](CC)CC(C)C)[C@H](C)[C@@H](C)CC	319476963	AJEKHPTXUQGYOX-JJXSEGSLSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](NC)C1CCCCCCC1	319511905	CMERUILDSXZKPH-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)C1CCCC1	379972735	NJGYABHNXVTJEB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CCCCC1(F)F	382080088	HXZMHDZPEVAOSY-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CC(C)C[C@H](C)CC1(CNC(C)(C)C)CCC1	382667294	PAGFSDRAMCBYOT-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H](C)CCCCCCC(C)C	383273908	ZLMVSNDXGITTEU-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@@H](NCC)c1ccccc1C(C)C	383432874	CGXIMNPZHHEZHJ-MRXNPFEDSA-N	233.399	4.651	0	10	BJAE	
CCN[C@@H](CCC1(C)CCCC1)C1CCCC1	383483636	BBVYPMIJTWWTEU-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(NCC2(CC)CCC2)cc1C	383764360	FKFURCRIPFOYMY-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
C[C@@H](C[C@@H](C)CNC(C)(C)C)C1CCCCC1	383990842	LOGNTFWMUZNSSU-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
NCC1(CCC2=CCCCC2)CCCCCC1	385006482	WUPGULBPLOWAAP-UHFFFAOYSA-N	235.415	4.566	0	10	BJAE	
Cc1cc(C(F)(F)F)c2cc(C)sc2c1	396206073	ZJPWQBYTKBYEES-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H](C)C2CCC2)CC1	398685467	BBNJMNKAKKRNRY-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1CC[C@@H]2C[C@H]2C1	403506460	BAJRRSPAJZNYBU-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H](C)CNc1ccc2c(c1)CCCCC2	404786915	SVBIEJWHPFSBLR-CQSZACIVSA-N	245.410	4.660	0	10	BJAE	
Cc1cc(C)cc(OCCC(C)(C)C2CC2)c1	405972233	VNDVXBUAUGDLLA-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CC(C)CC[C@H](O)C1CC(C)(C)CC(C)(C)C1	688321089	ZRNMILPHAKDRFJ-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@@H](C)CC	690188692	YCZNLVZMAQLKPU-LBPRGKRZSA-N	233.399	4.578	0	10	BJAE	
CCCNCC1(C2CCCCC2)CC2(CCC2)C1	691485642	OCPBANJNISSCKL-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1CCC12CCCCC2	693854125	NENRKFURRGJROB-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCCC2(CC2)C1	695683930	QPMIGEPIOMBSTF-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CC1(C)CCC(NC[C@@H]2CCCC3(CC3)C2)CC1	695690829	PBDRBYTWAAUCBB-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CCc1cccc(C(C)C)c1)NCC	701512984	RGLNZWXVXHFEAY-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@@H](C)CC(C)(C)C)cc1	704727122	FKZFQJLFHBNCOO-BBRMVZONSA-N	247.426	4.882	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@H](C)CC(C)(C)C	709120902	ATYHUWJPAWDIAY-MELADBBJSA-N	228.420	4.636	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@@H](C)CC(C)C)cc1	709129510	UGCZTUGBBLBCRR-AWEZNQCLSA-N	246.394	4.750	0	10	BJAE	
Cc1cccc(-c2ccc3ccccc3c2C)c1N	709838379	BXBZBGZZEKRWKG-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CCC[C@]1(C[C@@H](C)C(C)(C)C)CCCCCN1	710765564	MLKYTMXJEMZZRE-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@H]2CC[C@H](C2)C1	710870860	LDOJGNMSBRWTGA-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C[C@@H](N)C1CCC(C)CC1)C(C)(C)C	711114173	QVBFZHODGHCEKY-NEXFUWMNSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C[C@@H](O)c1ccc(C)c(C)c1)C(C)(C)C	711213347	YIEUFQGVOCAGCY-HZPDHXFCSA-N	248.410	4.799	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CC(C)(C)C)CC1	713182075	IQYRINOADIBQQR-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CCC(C)(F)F)C(C)(CC)CC	714029283	MNNHAJSKIDSNDO-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCNCC1(C(CC)CC)CCC=CCC1	718132585	CVPZALNMWRWQEQ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H](C)C1(C)CC1	720921221	ZKISTUVWTYUDJB-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C(=O)CC2CCCCCC2)c(F)c1	721214430	UMISUUJWRPKVEX-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCC(CC)S[C@H](C)CCc1ccccc1	1458943940	FOPMBIYJKUHAFC-CYBMUJFWSA-N	236.424	4.930	0	10	BJAE	
C[C@H](CCC1CC1)N[C@H](C1CCCC1)C1CCC1	1560900700	GYVQACHMGUWSSM-CXAGYDPISA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](NCC1CCC=CCC1)C1CCCC1	1621534778	AENRBYGNKVMKSH-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
Clc1ccccc1SCC1CCCC1	1651620920	DUNSXIYLDJWRKV-UHFFFAOYSA-N	226.772	4.622	0	10	BJAE	
C[C@@H](SCC1CCCC1)c1ccccc1	1656940300	CSQCBGQVFOXTRM-GFCCVEGCSA-N	220.381	4.671	0	10	BJAE	
C[C@@H](NCC1(C)CCC2(CC1)CC2)C1(C)CCC1	1875731895	MEKIRAFRFGCZOL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C1CCCCCC1	1900579075	BGGPFPAXLQBEQM-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CCC(C)(C)C1	1902284947	GCZPZCNUFKAFED-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)CC1CCCC1	1905375036	SYACQJMHIRAYEK-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@@H](CC)CCC	1905434654	LMAMFLLUSGLDBS-KKUMJFAQSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1sc(C)cc1C	1905446604	UUVADZYOAAEGBT-STQMWFEESA-N	239.428	4.581	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CCC=Cc1ccccc1	1912002888	ZTCRAQOSAJBYQT-DOTOQJQBSA-N	246.394	4.667	0	10	BJAE	
CC=C[C@@H](C)Cc1ccc(C(C)C)cc1	1912049725	BZAZFYRSKDBTDZ-CYBMUJFWSA-N	202.341	4.565	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	1912075278	SAYDEHJFZZANGW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C1CC(CC)C1	1921297538	KBNDIUZMVZLKSU-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC[C@]1(CN)CCCC12CCC2	1921637245	VDTBIGXROIPFBF-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CNCC)C1CCCC1	1924118518	IQACJGGXPKGIRN-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@H]2C=CCCCC2)CC1	1925945230	KDOBERMFOFRJGM-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)CCN[C@H]1CCCCC[C@@H]1CC	1926170182	HSLXTWVJUSOCLE-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)CC2CC(C)C2)cc1	1926998710	FSCWBZVTHFLZCD-ICEJCHNJSA-N	245.410	4.636	0	10	BJAE	
CC(C)C(C(C)C)[C@H](C)NCCCC(C)(C)C	1940243348	MIBBAPOXFILDHL-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CC[C@](O)(CC1(C)CCCCC1)[C@H]1CC1(C)C	1940408271	SRQXGIRCYYBAJV-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)CCC1CC1	1940880804	CDLKUZSNXIIORT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NCC)[C@@H](C)[C@@H](C)CC	1941268568	HLCKUUJPCGGWRV-CAOSSQGBSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(CC)CNCC1CCC(C)(C)CC1	1941357427	KGUSQFZOYYYTLU-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)CCC1CCC1	1941460117	VPDORGANRJTHBU-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)c2sccc2C2CC2)C1	1942502049	RYKJAKBAINSILG-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](N)(CCC(C)C)C1CC1	1942661403	WBLLMRPJURISIG-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNc1ccc2sccc2c1	1944846105	MNPYFJYUKLLCRU-YPMHNXCESA-N	245.391	4.749	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCCCCC1(F)F	1947282311	LXICOYRWKBNAOZ-OLZOCXBDSA-N	247.373	4.513	0	10	BJAE	
CC(C)CC(=O)[C@H]1CCCCCCCC1(F)F	1947523131	IXEYNDLLYFVYOF-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1C=CCC1)NCCC	1947577728	VGQWLVUMWQJOOT-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C1CC(C)(CC)C1)C(C)(C)CC	1948411316	OWJPEYPHORNSJF-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC)CCC(C)(C)C(C)(F)F	1948846290	HVQVBCLNIHWJEK-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1ccc(C)c(C)c1	1948946493	HYPBMWSMLLGMDZ-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@@H]1CC1(C)C	1948987991	GFMZMPMONFZPEM-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CCC[C@@H](C(C)C)CC1	1949024453	LERHFWUBPPZYIV-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@](N)(CCC[C@@H]2CC2(C)C)C1	1949050476	FHBFKUSWFWIAME-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(N)CCCCC1(C)C	1949051061	KXHMUJWTRXOOAE-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CCCC1(C)CC1	1949052130	AXCTVVCKUQJFCE-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)[C@@H](C)CCC(C)C)C1	1949080359	NZQBXHDCAVSDRV-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@@H]1CCC(C)(C)C1	1949435844	VADVAZFMZMHSCX-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CC[C@](O)(CC1CC1)C[C@@H](C)C1CCCCC1	1950094253	GYUZWBVKGHSMQR-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(Cl)cc(-c2cc(C)cc(O)c2C)c1	1950608109	RQAXRBQKQUTYQC-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC(C)(C)CC1)C(C)(C)C	1950914130	NGYZCFBNCLWXOU-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C1CCCC(CCN[C@@H]2CC[C@H]3CC[C@H]2C3)CC1	1966378648	HRCGLVFDPKLTPW-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCC2(CCCC2)C1	1967700383	XLXCOJIUSWTLQD-HOTGVXAUSA-N	249.442	4.824	0	10	BJAE	
Cc1ccc(NC[C@@H]2[C@H]3CCCCC[C@H]32)c(C)c1	1968255548	YTWJXQJMWAFZDC-ZSHCYNCHSA-N	243.394	4.542	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1968648935	RPNCPSKODZEHAA-BTTYYORXSA-N	247.357	4.515	0	10	BJAE	
C1CC[C@H]2CC(NCCC3CCCC3)C[C@@H]2CC1	1968855001	AEFJEPPYWKZETJ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC2(CCC2)C1	1971388767	FVGRAZJSFDDIOO-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CCC2)C1CCCCC1	1972820402	QRRVLJVTWOAYEK-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1ccc(C)cc1Cl	1976002672	DBZAFMHDLQRREH-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCCC(C)(C)C(=O)CC1CCC=CCC1	1976009388	XPANKQACWDMNIY-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
C[C@H](Nc1ccsc1)[C@H]1CCCC(C)(C)C1	1980287795	XFSNPYODNRAMRW-RYUDHWBXSA-N	237.412	4.765	0	10	BJAE	
CCCC[C@@](C)(O)CC1CCC(CC)CC1	1989773044	XEXVNVORMYHVQC-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CC1(C[C@](C)(N)C2(C)CCCCC2)CCCC1	1995984972	FNTCRHUGKNBPND-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H]1CCCC(F)(F)C1	2000108359	YWFFZSRYHMCTQP-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2C=CCCCC2)c(C)s1	2000183536	ZMDSDWDTHSOSLW-ZDUSSCGKSA-N	248.391	4.684	0	10	BJAE	
CCC(CC)CN(C)[C@@H]1C[C@H](C)CC(C)(C)C1	2000899028	VCSXZRPQNCWWSM-DZGCQCFKSA-N	239.447	4.569	0	10	BJAE	
CCC1CCC([C@](C)(N)[C@H](C)[C@@H](C)CC)CC1	2002925801	NRPGRGDYGKXWPT-AOTHYSKPSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](NC1CCCCCCCC1)[C@@H]1CC1(C)C	2003097860	INMIKZWQAGZEDI-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCC1(CC)CCC(O)(CCCC(C)C)CC1	2004340367	ZSVGSERGQRCOFA-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC23CC3)c(Cl)c1	2005527004	IYNPOAQUWBRBCD-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
CC1(CC[C@@H](O)C2(C)CCCCCCC2)CC1	2009539774	HLDHFUWDTYOHMT-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CCCC1(C)C	2009596323	PRXQIVAIGVECLL-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@]1(CNCCC)CCC[C@@H]1C	2009616505	JNLLASIZMJGOQK-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011946644	FAMZIDZLRAMLBD-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CC)c1occc1C	2012055970	CNGSZDGPQORQCK-UONOGXRCSA-N	237.387	4.598	0	10	BJAE	
CCN[C@H](C)[C@@H](CC)CCC(C(C)C)C(C)C	2015338708	KYATWEMKHLDAIH-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CCCC1(O)CCCCC1)C(C)C	2015346693	INBUFULSDHEROY-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(CCC(=O)C[C@@H]1CC1(C)C)C(C)C	2015389575	XSKSSKOIJICZPQ-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
CCN(CCC(C(C)C)C(C)C)[C@@H](C)C(C)C	2015393904	IYFSYWHETKNOJO-HNNXBMFYSA-N	241.463	4.671	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCCC2(C)C)CCC1	2015589442	UQTVYXJRQCUKFW-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC1(CN(C)CC(C)(C)C(C)C)CCC1	2015635110	VJSNNZBPKBMLJY-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCC1(C[C@@]2(O)CCCCC[C@@H]2C)CCC1	2015636520	YWSKDGIMCHLNDG-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cc(F)ccc1F	2016150282	RYUKZMQDDUGTBG-LLVKDONJSA-N	239.309	4.512	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CC(C(C)C)C(C)C	2016150576	VWGOIWXXLHYXPR-INIZCTEOSA-N	240.431	4.802	0	10	BJAE	
CC1(CCC[C@H](N)C2(C(C)(C)C)CCC2)CC1	2017131635	SKVAXKDQKFRXAV-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNC(C)C)CC[C@@H](C)C1	2017466341	LHDFKNSWYPITBI-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H]1CC[C@H](CC)CC1	2017476824	BIXIVCCGCYVHSL-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CCC([C@H](N)C(C)=C(C)C)CC1	2017485748	GWAMAKXUGUYBLT-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)C[C@H]1CC[C@H](C)CC1	2017652539	ILPRUWQLQHPQTC-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](CC)CNCC)CC1	2017728696	OHCZQTDWNDUOLP-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2CCC[C@H]2C)CC1	2017775273	ZRGXWBATEWIJGY-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)[C@@H]1CCC2(CCCC2)C1	2017805332	CUPVDKLRATWXGD-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)NC1C(C)(C)CCC1(C)C	2018077085	LTFYQUQANUCPQX-ZDUSSCGKSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N(C)CC(C)(CC)CC	2019180654	DOBJFHBLCRETNP-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCN(CCCC(C)(C)C)c1ccc(C)cc1	2019328997	XLKBCPCKRUTKQK-UHFFFAOYSA-N	233.399	4.648	0	10	BJAE	
CC(F)(F)CCCC[C@@H]1CCCCCC[C@@H]1O	2023304734	AZGNALUEQPHOQB-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC1(C)CCC[C@@H](CCC(=O)C2CCCC2)C1	2024102837	WKZXQDREMFXEJM-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCCC)[C@@H]1C[C@H]1C	2026080271	FGLJHFBTYBZGLU-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](NC[C@]12CCCC[C@H]1CCC2)C1CCC1	2031787258	BKIXUDXFVJDKLH-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC(C2CC2)C2CC2)C1	2032150098	BVIYIEWLPRANAA-IUODEOHRSA-N	248.410	4.598	0	10	BJAE	
CC1(c2ccccc2NCCCCC2CC2)CC1	2032243019	PSZNFPHMTFPBAA-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNc1ccccc1C(C)(C)C	2032514795	OOQLOTKWMYZKGO-KGLIPLIRSA-N	245.410	4.832	0	10	BJAE	
C[C@@H](C[C@H](N)CCCC(C)(C)C)c1ccccc1	2037104567	ANSCRQVQSDREQU-GOEBONIOSA-N	247.426	4.724	0	10	BJAE	
CC(C)(C)C1CCC([C@@H](N)[C@H]2CC=CCC2)CC1	2037198498	ONVUQHXAMASSTR-LBDPXKHJSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC2CC3(CCC3)C2)C1	2037980092	UGCYQRJJIPGXMF-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CC1CC2(CCC2)C1	2038085284	JXHJOVQSXQQVIB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@@H]1C(C)=CCC[C@H]1C	2039439919	BMEWHPVTJBQBRK-UUAJXVIYSA-N	249.442	4.523	0	10	BJAE	
CCC1(C[C@H](N)C2CC3(C2)CC(C)(C)C3)CCC1	2039461753	KACUOZPLJVTQNB-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC[C@]1(N)CCCC2(CCC2)C1)C1CC1	2041289166	GHOVYAFAFOGSLZ-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)[C@H]1CC=CCC1	2042024059	IEYMMDYWNMCGOB-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
N[C@@]1(C[C@H]2CCC=CCCC2)CCC12CCCC2	2045306737	BUDSHIWZXHPWMO-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C[C@@H]1CCC=CCCC1	2045317427	LVGGUDLOECCGBE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CC12CCCC2	2047026997	OKDBINGFTOATBF-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@H]2CC23CCCC3)C1	2047063338	VQMQABJDOLRLKF-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2048414888	BPQXEWULXRDIDO-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)[C@H]1[C@H]2CCCCC[C@H]21	2049210594	CPWTYEIDNRRBJO-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@H]2C=CCCCC2)C1	2049492186	GUKRYYXCNMFBQP-RDJZCZTQSA-N	249.442	4.668	0	10	BJAE	
O[C@@H](CC1=CCCCC1)C[C@H]1CCCC2(CC2)C1	2049818530	FIZZUVRFNGYJKF-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C[C@H]1CCC2(CC2)C1)C1(C)CCCCC1	2049851465	BNUIXSYZWGMXCL-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2C[C@@H]1CCC2(CC2)C1	2049859185	QDCGYEJXCRDYEQ-UONOGXRCSA-N	241.378	4.556	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CCC3(CC3)C2)CC1	2049947486	GYJTXJHDCHIABR-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CCC3(CC3)C2)C1	2049947710	IZTYHNAHSCOZSN-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(NC2C3CCCC2CCC3)c1	2050044245	YKVWJQIJOHCCDS-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
Cc1cccc([C@H](O)CC[C@H]2CCC[C@@H](C)C2)c1	2050429337	YAJIIXPFXROLNX-FRFSOERESA-N	246.394	4.635	0	10	BJAE	
CC1([C@H](N)[C@@H]2[C@H]3CCCC[C@H]32)CCCCCCC1	2052477614	GWXWANQDYYFTFF-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H]2CCC[C@H]2C(C)C)c1	2056449347	IONXAPZHHRWMGF-LSDHHAIUSA-N	244.378	4.558	0	10	BJAE	
NC1(C2CC(C3CC3)C2)CCCCCCCCC1	2057828981	KNGZKHDRDKNBPR-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)CCN1CC[C@@]12CCCC(C)(C)C2	2058161875	ZWCRCPYQGNXYKS-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@]3(C(C)C)C[C@H]23)c1C	2058561659	FZSKRMCGYNNGGY-DJIMGWMZSA-N	243.394	4.540	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)c1ccccc1C	2059251330	YUSMEMIJGAGLKJ-YXMMZVCTSA-N	245.410	4.782	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H]1CCCC2(CC2)C1	2059261121	BXWJJXHAJLZFAW-KADIJHKTSA-N	249.442	4.681	0	10	BJAE	
CC1CC(C)([C@@H](N)C2=CC[C@@H](C(C)(C)C)CC2)C1	2061088497	NHJSIJBHLYKWLF-JIDKMEAJSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CC[C@@]23CCC[C@H]2C3)CC1	2061626084	HXXDTDCSFMPZBM-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2CC(=C3CC3)C2)CC1	2061695309	BIYLHTLMVLVLLA-IUODEOHRSA-N	246.394	4.662	0	10	BJAE	
CC[C@@](C)(CNCC(C)C)CC1CC(=C2CC2)C1	2061740412	YOJIJDDNKXTETL-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)C(C)(C)C3CC3)C2)C1	2063210197	CIOIYODFUJSJPB-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2ccccc2C2CCC2)N1	2066376234	RTWHIIKQLMTXLC-YOEHRIQHSA-N	243.394	4.547	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)C2(C)CCCC2)c(C)c1	2067507711	DXTWABFNMUJXLP-HNNXBMFYSA-N	245.410	4.993	0	10	BJAE	
C[C@H](NC[C@@H]1CCCC2(CC2)C1)C1(C)CCCC1	2067509294	QIKYAFAKJPQVCV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]21)C1(C)CCCC1	2067515984	BIDRLZLTBGRXTQ-ZJIFWQFVSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@H]1CCC1(C)C	2068232423	GBZJKRJOCZOPHT-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CC[C@@H](N)c2ccc(C)cc2)CCC1	2069342034	LEWYQVSOZJJQEV-MRXNPFEDSA-N	245.410	4.745	0	10	BJAE	
CC[C@H](NCC1(CC2CC2)CCC1)C1CCCC1	2069505456	OGXWLDYUZLCVDW-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C[C@@]12CCC[C@H]1C2	2070860020	AGPUMSGDHFGQQU-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNC1(C(C)(C)C)CCC1	2071882284	ZTCCLNBPOWOUGG-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](NC)C2=CCCCC2)CC1	2072701001	STRWILBRZFEUOM-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@H]2CCC3(CC3)C2)CC1	2072807198	TTZRRPAYKNGRCQ-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@]2(CNC)CCCCC23CC3)CC1	2074628597	GYSYQXONHZNCOS-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@@H]2CCCC3(CC3)C2)C1	2074894166	ZNYAGFXHKWICMR-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CCCCCCN(C)Cc1ccccc1C1CC1	2075086239	JYEMEOPHJIJNFU-UHFFFAOYSA-N	245.410	4.576	0	10	BJAE	
CCc1cccc2ccn([C@H]3C=CCCCC3)c12	2075406705	CIFADOXVHOOCKC-INIZCTEOSA-N	239.362	4.875	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H](C2CCC2)C2CC2)c1	2077264641	XMNBRDBWOZRQQI-QGZVFWFLSA-N	241.378	4.555	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@H]1C[C@@H]1C(C)C	2079429629	YDKOJHLOJSULQQ-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)C[C@H]1C[C@H]1C1CCCCC1	2079833884	YVEKDPYLCSSXKK-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]([C@H]1CC[C@H](N)CC1)[C@@H]1CCC2(CCCC2)C1	2082132365	DIXMDABLHVETIZ-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](c1cc(C)cc(C)c1C)[C@H](C)CC(C)C	2082920245	XBQFNUYCCNEHAT-PBHICJAKSA-N	247.426	4.555	0	10	BJAE	
CC(C)(C)C[C@H](N)CC1CC2(C1)CC1(CCC1)C2	2083617073	HYKHOQMATALHFP-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1C[C@H]2CCC[C@H]1C2	2086171449	NHOPSUOWFMQIOL-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(=O)CCCC1C[C@H]2CCC[C@@H](C1)C2	2213299727	TUDIHKKZOKBDKS-YIONKMFJSA-N	236.399	4.598	0	10	BJAE	
CC(C)Cc1ccc(C[C@H]2C=CCCC2)cc1	2213511112	JGZMGRVBJWODBC-HNNXBMFYSA-N	228.379	4.784	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CCCCCCC2CC2)C1	2213577026	XCPXSSQUIAKWFW-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](O)CCCCCCC1CC1	2213581410	WGANHJNIYBEESS-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CCCCC2CC2)C1	2214568732	JHXKUIDVJNXDBK-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1ccccc1C(C)C	2215310326	CYAMMNPJMFVZJT-KGLIPLIRSA-N	231.383	4.658	0	10	BJAE	
C[C@H](CC(=O)C1(C)CC2(CCC2)C1)C(C)(C)C	2215375814	VQANUUXXZUKAAI-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](O)CC1(C)CC2(CCC2)C1	2215467447	RTIOMOSIIDWOHN-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)[C@]1(C)CC=C(C)CC1	2215812038	HGTZTKXWDNZKIF-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CC(=O)CCCCC(F)F)C(C)(C)C	2216519250	VMMJMLPUVSBDNB-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NC1CC(CC2CC2)C1	2218560398	FCSDGAYBWWDHDF-ODZFXCKXSA-N	249.442	4.514	0	10	BJAE	
CC1(CCNC2CCC(C3CC3)CC2)CCCC1	2218896899	NZPUKYZTCQGGPU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC1(N)CCC2(CCCC2)CC1	2220879982	QZDRKPJAIIDDNX-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC1(CNC2CC2)CCCCC1	2220881907	VREMOQLTUHYSDV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@](O)(CC1(C)CC(C)(C)C1)c1ccccc1	2221005029	REJSFFCWBGWGKS-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)C1(C2CC2)CC1	2223132979	QPWQWVAGPPYFSG-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC[C@H](O)C2CCCC2)C1	2246670727	WJQVYUQIMJLFEG-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)CCC1CCCC1	2247173696	DIAVQBXVMMBGOY-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCN(CC1=CCCCC1)C1CCCCC1	2247529748	PAOZAJYKUKSLOB-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCCC[C@@](O)(CC)CC[C@H]1CCCC12CC2	2247667610	XDYFRIZLVMHIQX-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1CC2CCC1CC2	2250367887	AZZOYEXZTZZIDK-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CCN1CC[C@H](C)CCCC(C)C	2250520924	XCIGMEAVBZRFHX-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CC1(C)CC([C@@H](N)CC[C@H]2CCCCC23CC3)C1	2253841901	YYXPZRBGVLHESL-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@H]1CCC12CCC2	2255017195	LPDGXUJDZJASIB-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC12CCC2)[C@@H]1CC1(C)C	2255018270	ZLOFDBCLPVRGLE-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@]1(CC2=CCCCC2)CC[C@@H](C)C1	2255103418	UMGCYRRNHGDOTE-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CCC1(CNCC[C@@H]2CCCC23CC3)CCCC1	2255277696	HBKDGHBRSXRPHE-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@H]1C)[C@H]1CC=CCC1	2257303105	LGRNMOGODHJNNF-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC1(C2CC2)CCCC1	2257314533	GSCBDVMTONIJMY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@@H]2C2CCC2)cc(C)c1C	2258233489	OGUKBCJJTMORSC-SJORKVTESA-N	243.394	4.602	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@]12CCCC[C@H]1CC2	2260509680	XCSLFRAQJMBYGA-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCCC1(CNC[C@@]23CCCC[C@H]2CC3)CCC1	2260527822	OQQCINDVCINYAA-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CC1CCC([C@@H](N)C[C@@]23CCCC[C@H]2CC3)CC1	2260608517	CNEFLIIRSRKGCN-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H]1CCNc2ccc(F)cc21)C(C)(C)C	2261340791	XNJQKXXWVSZWLG-VXGBXAGGSA-N	249.373	4.797	0	10	BJAE	
C1=CCC(Cc2ccccc2-c2ccccc2)C1	2263187534	WTFHATPNRKJQBT-UHFFFAOYSA-N	234.342	4.862	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1cc(F)ccc1F	2298841362	DKZYCERUBVBPTA-NSHDSACASA-N	241.325	4.592	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@@H](C)CC2CC2)CC1	2298911849	RQNSBRGUOVJJTR-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@](N)(CC)C1CCCCC1	2300696504	DRTXAWVNMVQVCC-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@]1(N)CC[C@@H]2CCCC[C@H]21	2300706986	WOSXYFQTFPCYFI-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)NCC=C(C)CCCC(C)C	2300865417	NBQDGGDFXXMREG-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C[C@@H](C)C1CC1	2300878984	CTCNWJMNOABEMB-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H]1CCC[C@@H](CC)C1	2300879266	FPORAIQIRFQGJP-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@@H](N)CC(C)(C)F)CCCC(C)C	2300938481	YRHZEWHFUDNSOF-CQSZACIVSA-N	243.410	4.615	0	10	BJAE	
CC(C)NCC1(CC2CCCCCC2)CCC1	2301244814	PNKOWSLABFUPPE-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCN(C1CCCC1)[C@H](C)[C@@H](C)C(C)C	2301973766	DMUQEQILXXEEMI-LSDHHAIUSA-N	239.447	4.712	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@@H]1CCC(C)(C)C1)C(C)(C)C	2302900386	DHYWHVDJAJBWLB-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](O)CCCC(C)C)CC1	2303527945	WTUZKLFBFVAVLK-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)c2cc(C)cs2)CC1	2303592109	HPMKLPCAEICYNF-ZDUSSCGKSA-N	248.391	4.766	0	10	BJAE	
CC1(C)CC(c2cc(=S)c3ccccc3[nH]2)C1	2304030730	PSCSBUCUFOWTOS-UHFFFAOYSA-N	243.375	4.801	0	10	BJAE	
CCCNC[C@@H](C)CCC[C@@H]1CCC(C)(C)C1	2304408766	BMOMWFRUZSBLDD-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@](C)(F)C(C)(C)F	2307674576	PRSFPTICOSUIOM-SMDDNHRTSA-N	248.357	4.638	0	10	BJAE	
CCC[C@H](CC)C[C@H](C[C@@H]1C[C@@H]1CC)NCC	2307820263	WIOCCCVGQLSZCT-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCCC(F)(F)C1	2307832622	UYUUDQGIGVVWLX-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CO)C1CCCCCC1	2307875656	IYTAOIMOTIIPNM-ZBFHGGJFSA-N	240.431	4.782	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1[C@H](C)CCC[C@H]1NCC	2307902818	MSMGDEOPMOBBIR-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H]1CCCC[C@@H]1CC	2307908772	ILHBXAPTJRFNFT-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CCC1(C)CC(N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2308399698	DAQZYUKIBRSJAE-VAZJSPDQSA-N	249.442	4.514	0	10	BJAE	
c1cc(N[C@@H]2C[C@@H]3CC[C@H]2C3)cc(C2CCC2)c1	2308578319	TVTXQWWQTFHPAB-ISTRZQFTSA-N	241.378	4.555	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@H]2C[C@@H]3CC[C@H]2C3)c1	2311331369	OBJJAZKVGSSNTL-IFIJOSMWSA-N	241.378	4.555	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCC1	2311515670	OPLHUOCZIZBLNW-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CN(C1CCCCCC1)C(CC1CC1)CC1CC1	2313608162	IYPNFHBTQWIMIR-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@H]2CC[C@H]21)CCCC(C)C	2316500297	YJEBPAAEADHVDB-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCCN[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317194679	MRSHBBDZFUNCFB-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)n1ccnc1C1CCCCC1	2317829064	WRHYXOAFGCEZNR-KGLIPLIRSA-N	248.414	4.784	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@@H]1CC(C)(C)[C@H]1C	2318256416	WHVUJWGEHHTSFV-YOKBYHGQSA-N	249.442	4.523	0	10	BJAE	
C[C@]1([C@H](N)CCCC2=CCCCC2)C=CCCC1	2318589891	VKUNRMSSVQUSLY-SJORKVTESA-N	247.426	4.731	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@@H]1C[C@@H]1CC	2318597638	NAZWXLJOONVFAP-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(N)CCC3(CCCC3)C2)C1	2319032349	XKDUJNHODNDIAG-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)C23CCCC2CCC3)C1	2319115154	VXIOFXQHDPAIJY-HCEZTOJASA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCCC[C@@H]3C[C@@H]32)CC1	2319243633	OPDGAPPJXDTUSA-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2CCC(C)=C(C)C2)C1	2320339750	GXHABJFWGNGRGJ-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H]1CCCCN1C[C@H]1CCC(C)=C(C)C1	2320346292	DRPNOAKOXHPNCI-IRXDYDNUSA-N	249.442	4.778	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2ccc(F)c(C)c2)CC1	2320413946	VPAZTJHUJIREFM-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CCCC[C@@H]2C)CC1	2320423313	LKKPFLIHWYAFKF-IMJJTQAJSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@]2(C)CCC(C)(C)C2)CC1	2320424641	SFXJUYICHYSPIF-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@H]2C=CCCC2)c1	2320578330	PZGCCTQYBSITHV-WMLDXEAASA-N	244.378	4.590	0	10	BJAE	
CCN[C@H](CC)c1ccc(C2CC(C)(C)C2)cc1	2321031249	YDSBMCHMUPUFLV-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC(=CC[C@H]1CCC(C)(C)C1)[C@H]1CC[C@H](N)CC1	2321638008	XRWGKHSREXNZDK-JYJNAYRXSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C[C@@H](C)c1ccccc1	2328193296	LGEPDWORTZKUSV-VYDXJSESSA-N	248.410	4.758	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CC2(C1)CC21CCC1	2328282507	PQGODPDICYBOTQ-CBCUQQMYSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)[C@]2(C)C=C(c3ccccc3)C[C@]12C	1510437	MJUZIFPYYXUABG-DLBZAZTESA-N	224.347	4.836	0	10	BJAE	
CCC[C@@H](C)CNCCCCCCC(C)C	21016509	GNBVAJKVQCPHID-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2cccc3ccccc23)C1	21520479	NIWPQSGSJKBLQK-ZFWWWQNUSA-N	239.362	4.830	0	10	BJAE	
CCN[C@@H](c1c(C)c(C)cc(C)c1C)C(C)(C)C	35547073	LQIZUJCYODJUGJ-INIZCTEOSA-N	247.426	4.617	0	10	BJAE	
CCCN[C@H](CC(C)C)c1ccc(CCC)cc1	35582858	QZEJCVBIPKZWLG-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCNc1ccc(SC2CCCC2)cc1	37085938	ROPYQOTZARIOLR-UHFFFAOYSA-N	235.396	4.543	0	10	BJAE	
CC[C@@H](Nc1ccccc1C(C)(C)C)C(C)C	37278587	NKZCCQODULALOR-CQSZACIVSA-N	233.399	4.831	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@@H](CC)C1	71117998	QTJRTZHIHVKIJH-GDBMZVCRSA-N	245.410	4.938	0	10	BJAE	
CC(C)C[C@H](NC[C@@H](C)C(C)C)c1ccccc1	81045141	IONWTGWXRWQGAY-WBVHZDCISA-N	247.426	4.656	0	10	BJAE	
Cc1ccc(C)c(Sc2cccc(Cl)n2)c1	82461758	OTJGMKKKFIXQMA-UHFFFAOYSA-N	249.766	4.503	0	10	BJAE	
CCc1ccc(C(=O)C2(CC(C)C)CCCC2)o1	94899256	WRHRBICIFINBAJ-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1CC[C@@H](CC)C1	94984868	VLXQSPWDNVCOTI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc2c(c1)CCCC2	97467999	DSADQCOLULTQBB-QGZVFWFLSA-N	245.410	4.536	0	10	BJAE	
CC/C=C\[C@@H](C)Cc1ccc(SC)cc1	107605775	ZASPGMFATCXTLR-FOQNGQEVSA-N	220.381	4.553	0	10	BJAE	
Cc1ccc([C@H](C)C[C@@H]2O[C@H]2C)cc1C(C)(C)C	107636728	LGUGNTRIDKOVJG-WWGRRREGSA-N	246.394	4.573	0	10	BJAE	
CC[C@H](NCc1ccc(C(C)(C)C)cc1)C(C)C	109929412	BSEOFNWWJIWCDP-INIZCTEOSA-N	247.426	4.508	0	10	BJAE	
CCC[C@H](CC)NCc1cccc2ccccc12	109945097	PXMSCMYDIKORLL-INIZCTEOSA-N	241.378	4.508	0	10	BJAE	
Cc1cc(C)c([C@H](N)C[C@@H](C)C(C)(C)C)c(C)c1	111646992	WMVPBAFDCCPBTO-HUUCEWRRSA-N	247.426	4.684	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2CC1CCCCC1	111754106	UBNMZPZQLSSQSO-CQSZACIVSA-N	229.367	4.556	0	10	BJAE	
CCCCC[C@@H](NC)c1ccccc1C1CCC1	132662526	OLCUKFUWLVWLKF-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CCCC1CCC(NCCCCC(C)C)CC1	134295959	GITNVBQZFQFZMO-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC(O)(CCC)[C@H]1CCC[C@H](CC)C1	163754445	LEAWVEAJKMYEAL-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@H]1CC)c1ccc(C)cc1	163901261	ZDGVEAROTPIDLG-PVAVHDDUSA-N	245.410	4.614	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1CCC[C@@H]1CC	164106508	LZBQWQJIZATRSU-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
c1ccc(CCc2ccc(-c3ccccc3)o2)cc1	205328581	CLNYPXGHWSXMQI-UHFFFAOYSA-N	248.325	4.732	0	10	BJAE	
CCCC[C@@H](CC)Cn1ccc2c(F)cccc21	212999466	KUVAHVLCFGMANL-CYBMUJFWSA-N	247.357	4.997	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@@H]1CCCC1(C)C	226564337	LNGPXQCSTOVBRU-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)CC2CCCCC2)C1	227389543	PRIXHVQALQAIQT-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)c2cc(C)cc(C)c2)C1	227389838	WKODMODCFVGYHY-YQQAZPJKSA-N	245.410	4.520	0	10	BJAE	
CCCCC[C@@]1(O)CCC[C@H](CC(C)C)C1	230784857	XILWMFPSLLUUCE-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CCCC1(CNC(CC(C)C)CC(C)C)CC1	232935666	MVOLGODAIUUZSW-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)C1(C)CCCCC1	233273368	DUEMYSVMSNNGLH-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC2(C)CCCCC2)CC1	235698465	RZDTWCUOGLGOFO-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc2[nH]cc(CC3CCCCC3)c2c1	235989080	CGQLHKKABJVHTQ-UHFFFAOYSA-N	227.351	4.599	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	251201105	VGUAGRAPIZFOJS-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](NC)C2=CCCCCCC2)C1	300136770	KZCOYBNMZHVWNX-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@H]1CC1(C)C	300424510	FJWWJCWPCUOZJU-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
O[C@H](CCC1CCCC1)CC1CCCCCC1	302276221	SPHTWVZNYNIZOR-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1c(C)cc(C)cc1C	302282169	BQMDFEBCJGXFCA-DYVFJYSZSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cccc(C)c2F)CC1	306016662	SSAUJTJWLLAXJC-KGLIPLIRSA-N	249.373	4.905	0	10	BJAE	
CCc1cc(N[C@@H]2C[C@H](C)CC[C@H]2C)ccc1C	306057623	VWYVHMPDGBRULW-SUYBPPKGSA-N	245.410	4.794	0	10	BJAE	
CCc1cc(N[C@H]2/C=C/CCCCC2)ccc1C	306064084	XYSXZKBILQIEAT-DYLHUKMJSA-N	243.394	4.858	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CCC[C@@H]3C[C@H]32)cc1	306111088	UHOHSPVKKKRLBY-DJIMGWMZSA-N	243.394	4.630	0	10	BJAE	
CSc1ccc2c(C)c(Cl)sc2c1	307412631	KZFLOKDGTSOVEX-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
C1=C[C@H](n2ccc3ccccc32)CCCCC1	310066615	GENBPXOXQGACNZ-HNNXBMFYSA-N	225.335	4.703	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CC2CCC(C)CC2)C1	310479799	DLHLBSMAOSMVGK-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)C[C@@H](C)c1ccccc1	310571554	WBGWOZGEXJRPTB-UXLLHSPISA-N	248.410	4.613	0	10	BJAE	
CC(C)(C)NC[C@]1(CC2CCCC2)CC=CCC1	317583174	NLYKVROFSLKWIL-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(O)CCC[C@H](CC(C)C)C1	318938302	YNEXJHVBFRUQEB-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)(C)C)[C@H](C)C(C)C	319514040	DRTXDIHMRSJCJZ-CZUORRHYSA-N	247.426	4.537	0	10	BJAE	
CC[C@H](Nc1ccc2sccc2c1)[C@@H]1C[C@H]1C	322022611	KQSADOKPEKTOAN-HONMWMINSA-N	245.391	4.748	0	10	BJAE	
CC(C)c1nc([C@@H]2CC3CCC2CC3)cs1	382183866	QTDNVXVVEAAIHJ-HTAVTVPLSA-N	235.396	4.560	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCCC[C@@H]1O	383088946	BRMNZJSMIPMJJY-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCCC[C@H](O)C1(C)CCCCC1	383234048	UJLYFAXOQSTKRN-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
Cc1ccc(C2(C)CCCCC2)c(C)c1	383419606	NTKJGZVWJFJMFX-UHFFFAOYSA-N	202.341	4.525	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc3cccc(Cl)c3[nH]2)C1	383554686	QUHQFHIDBLHSAK-ZJUUUORDSA-N	248.757	4.510	0	10	BJAE	
CCCC1(NCCC2=CCCCC2)CCCC1	385104144	BMLKCDWKYOCTRJ-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
CC(C)CCCC(=O)c1ccc2sccc2c1	386438617	OHAHUWVHMZJCMX-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CC[C@H](NCCC1(C)CCCC1)C1CCCC1	387562039	YDHBDRCYUWFJMZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(F)cc(NCC2(C)CCCCCC2)c1	394657470	IRUWAXZVASXVAV-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCCCCC[C@@](O)(CCC)C(C)(C)C	395403617	DCBJZOSSHGOCGW-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
COc1ccc(Cl)c2sc(C(F)F)cc12	396287208	CHHPXROTMHKCTA-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1C)[C@@H](C)C(C)(C)C	399171562	LNQGFPZDDBBCOZ-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
CCc1ccc([C@H](O)[C@@H](C)C(C)(C)C)cc1CC	399175457	POLXXXYNULQILX-MLGOLLRUSA-N	248.410	4.527	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)c1ccc(C)s1	400724800	MSRDICPDDLUIDW-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCC(C)(C)CC)CC1	686307505	OLNALFKOHJXAGT-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(=O)[C@@H](C)CC1(c2ccccc2)CCCC1	686746515	LIRGYDOPHRCVPF-AWEZNQCLSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@H](c1cccc(C(C)C)c1)C1CCC1	688938890	MHXHGMFCDXUMGJ-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
Cc1cc(NC[C@@H]2CC=CCC2)cc(C)c1Cl	690305035	QLJKIODRWAIMLB-CYBMUJFWSA-N	249.785	4.725	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCSCC1	692486000	RXYYLDSUEQVEHV-CYBMUJFWSA-N	249.423	4.508	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCC12CCCC2	694399883	AOGJHCQZFQHQLK-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CCC(C)(C)CC[C@]1(CC)CCCCCN1	696767439	GMFZECJKAUXVOG-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CN[C@H](CC1=CCCC1)[C@@]1(C)CC[C@H](C)C1(C)C	699116931	UDTRXBDFZFICFE-YSVLISHTSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)[C@H](C)CC(C)C)cc1	704742237	RBFLXDJEMSTWAW-VBQJREDUSA-N	248.410	4.916	0	10	BJAE	
CC(C)CCCCC[C@](O)(C1CCC1)C1CC1	705388008	VYXPZPWSTFAGAI-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](N)(CCC(C)(C)CC)[C@H]1CC1(C)C	707743325	LXURHSBKAZTQQH-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CC[C@H](O)[C@H](C[C@@H](C)CC(C)(C)C)C1	709073261	FHDUQBKHGHQROL-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@@H]1CCCC2(CC2)C1	710135743	NBIWNZXKKDOMNR-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1csc(C)c1	710699162	VFOPYEGBMGYSFN-CMPLNLGQSA-N	225.401	4.683	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)CC1CCCCC1	713042363	JDEVQEGRFGBLJE-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(O)C[C@@H](C)C(C)(C)C	713047018	KTBJLOHBSOLCKE-ZENOOKHLSA-N	240.431	4.636	0	10	BJAE	
CC(C)Oc1ccc(NCC(C)(C)C(C)C)cc1	713181709	IDGFTNGRSAYDDV-UHFFFAOYSA-N	249.398	4.568	0	10	BJAE	
CCCC(CCC)[C@H](CC(C)(C)C)NCC	713217887	RXNPQHSRUQDNPG-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)CCC1CCCCC1	713230299	SGKKQVYTEJMGOL-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
C=C/C=C\CC[C@@H]1CC(C)(C)CC[C@H]1CNCC	713708934	HTOIAHPEZHWVPV-KTYGHDLGSA-N	249.442	4.561	0	10	BJAE	
CCN[C@@H](C(C)C)[C@@H](CC)CC1CCCCC1	720428558	YJSLWBPXKCWNHO-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N[C@H](CC)CC1CCCCC1	720952579	COUMNSRUVZNTBC-OAHLLOKOSA-N	225.420	4.514	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC[C@H]2C[C@@H]2C1	720985502	LPPSYKOZZWWKFX-YLFCFFPRSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)c1cc2cccc(C)c2nc1Cl	722210225	ZIUKQNIXYYDFJM-VIFPVBQESA-N	233.742	4.710	0	10	BJAE	
CC(C)(C)C1CCC(C(C)(C)Cl)CC1	725261523	YJQGLXIJTYSTGZ-UHFFFAOYSA-N	216.796	4.856	0	10	BJAE	
CCC(CC)N(CCC(C)(C)CC)CC(C)C	1167562843	QZWFVQJUUHEHIQ-UHFFFAOYSA-N	241.463	4.959	0	10	BJAE	
c1ccc(C2CC2)c(CSCCC2CCC2)c1	1189146502	VLCKYROKCPDZDN-UHFFFAOYSA-N	246.419	4.987	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)C[C@@H](C)CC(C)C	1307687967	CFIQHBFSTWTEMQ-XHSDSOJGSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCNCC(C)(C)C1CCCCC1	1474074835	YNFTZVPWWVINBV-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)COc1ccc(N[C@H](C)CC(C)C)cc1	1776010572	VEIJEYNWOCUAKG-CQSZACIVSA-N	249.398	4.568	0	10	BJAE	
CCC[C@H](C(=O)CCC(CC)CC)C(C)C	1900705068	UFKCNAHDSNGJFC-AWEZNQCLSA-N	226.404	4.844	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1cc(F)ccc1Cl	1901628905	YLCTVNZUTDBGHY-VHSXEESVSA-N	243.753	4.572	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)[C@H](C)CC(C)(C)C	1901720069	IVCOTHUXOJPVAM-JHJVBQTASA-N	226.404	4.556	0	10	BJAE	
CCC[C@@H](CC)CN(C)c1ccccc1Cl	1905309503	VNUFAXNMHMCVKE-GFCCVEGCSA-N	239.790	4.603	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CC)C1CCCC1	1905367857	BSECURZTFYZEOP-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCOc1cccc2sccc12	1908592899	ZOFXSQWMSIJONU-NEPJUHHUSA-N	246.375	4.716	0	10	BJAE	
CCC(=C[C@H]1CC2CCC1CC2)CNC(C)(C)C	1911929501	DCZTZXKRMAYNOW-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC3(CCCC3)C2)c(F)c1	1916436071	HFDCTFDKUYOQGO-CYBMUJFWSA-N	247.357	4.659	0	10	BJAE	
CCCc1ccc([C@](O)(CC)C[C@H](C)CC)cc1	1919968693	CMURCEINWYZNFC-PBHICJAKSA-N	248.410	4.673	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C1C[C@@H](C)C[C@H](C)C1	1920196248	HMOZXFKFGMHELP-RZLSGREXSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H](C)C1CCCCC1	1924081042	KTCQGSDKECZFQI-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H](C)C1CCCCC1	1924135357	KEHDTDIPKSLWFY-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1(C[C@H]2[C@@H](CN)CCC23CCC3)CCCCC1	1924813056	JYBBPJXXSKVXHP-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
CCCc1ccc(C[C@H]2C=CCCCC2)cc1	1925831436	ALYOTBXRJCIFBS-INIZCTEOSA-N	228.379	4.928	0	10	BJAE	
CCC[C@@H](NCCC(CC)CC)C1CCCC1	1926181977	GSUTUXGEEGMPHO-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)CC1CCCCC1	1937166860	HIZVPBKODXUJBZ-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(NCC(C)(C)C2CCCC2)cs1	1938418695	DWFZKGKPCAJEQX-UHFFFAOYSA-N	237.412	4.685	0	10	BJAE	
CCc1cscc1[C@@H](O)C(CC)(CC)CC	1938843717	RRBBYUWSVYYRKZ-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2(C)CCCCC2)[C@@H]1C	1940405225	FXXKQTZIDSILFS-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(NCCCC2(C)CC2)cc1	1940881372	DZRSIIHIRSUIJX-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
Cc1cc(Cl)cc2c3c([nH]c12)C[C@@H](C)C[C@@H]3C	1941015983	LGQYLAKSLFIUCJ-IUCAKERBSA-N	247.769	4.816	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)[C@@H](CC(C)C)C(C)C	1941244045	RRZHHQHHDQJVAV-JKSUJKDBSA-N	240.431	4.802	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](CC)C(C)C)cc1	1941262890	KFRUKZIRLMCCOI-HNNXBMFYSA-N	232.367	4.504	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@@H]2CCC[C@@H]21	1941707396	GRZXUNAXEPQTOF-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CNCC)C1CCC1	1942094712	IKLPGONQKAHBGI-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(N)CCCCCC1(C)C	1942655263	HOQPBWSGMCFTHL-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@H](C)CCC(C)C	1942658960	IDTRSKQTZGCNKV-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CC(C)(C)CC2(CC2)C1	1943081953	HPSOWEQNEGUQBO-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCCNC[C@@H]1CCC[C@H]1C	1944819539	LCRSPOLGQPHDMX-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@H]1CCC(C)(C)C1	1945602056	ZJQKLMPCGIZDJY-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CC[C@@H]2CCCC[C@H]21	1946368543	SGUDSZXTVSAEGX-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc(C)cc1C	1947460863	LMHRGYWDGZZGHE-ZBFHGGJFSA-N	231.383	4.684	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@H]1CCC1(C)C	1949075839	LUWRJYSOAWHCPI-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H]1c2ccccc2NC[C@H]1C	1949113156	VNSDXKDEPZPRAH-KGLIPLIRSA-N	231.383	4.658	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C[C@H]2C=CCCCC2)s1	1949158168	OUVVJYHXUXQCKA-KBPBESRZSA-N	249.423	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)C[C@@H](CC1CCCCC1)NC	1949920233	YNTCBPMZDSADBG-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C1(O)CC2(CCC(C)CC2)C1	1950545289	JVFPFNRHWPQMIF-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)[C@H]1CC12CCCCC2	1950642042	NEISFSRNPVIJPM-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CCCC2CC2)CC1	1950917020	CPZJNCYOJCWGPJ-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)c1csc(CC23CCC(CC2)C3)n1	1950957917	JOMOZPRORKXANB-XIKARTHZSA-N	249.423	4.779	0	10	BJAE	
CC[C@H](C)N(CC)Cc1ccccc1C(C)(C)C	1969517259	GQUJLGSUXUKROA-AWEZNQCLSA-N	247.426	4.605	0	10	BJAE	
CC1(C)CCCC[C@@H]1CN[C@@H]1CCC2(CCC2)C1	1970085911	KZMOTJLYMAKELI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CCC2)C1CCCCC1	1972820401	QRRVLJVTWOAYEK-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@H](NCCC23CCC(CC2)C3)C1	1973945632	MKNLNWWHSQQWNT-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](c2csc(C(C)(C)C)n2)C1	1980284752	AZDLIBMXKSPRRV-MNOVXSKESA-N	237.412	4.734	0	10	BJAE	
CCCC(C=C(C)CNC(C)(C)C)CCC	1981294734	ZDZTUKMJPQFQLY-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@@H](O)C1(C)CCCCCCC1	1981416277	NHVCBXBTQMZEDA-CQSZACIVSA-N	226.404	4.678	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H](CC)CCCC	1984619862	YFHMVSCBCOGDLI-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCCCC(C)(C)N[C@@H]1CCC[C@@H](CC)C1	1987101100	DMKPVJQNEXULEM-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CCN(CCCCCC(C)C)[C@@H](C)C(C)C	1990848580	GRNQOAYBSNCKST-HNNXBMFYSA-N	227.436	4.569	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H](C)CCCC	1992048467	DOIUQEJKOXOYIN-ZFWWWQNUSA-N	225.420	4.537	0	10	BJAE	
CC1(C)CC(C[C@@](C)(O)C2(C)CCCCC2)C1	1995991641	QWGNBNPJPKKFAL-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@]1(C)C[C@H]1C	1996563902	KSNDJCQKRCMJOU-DOMZBBRYSA-N	249.423	4.645	0	10	BJAE	
CCC(CC)C[C@@H](N)CC1CC(C(C)(C)C)C1	1998241130	QSCHJPREECJQQH-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2(C)CCCCC2)C1	2000099999	RWXVAUBNXIMSKH-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC1([C@H](CC(CC)CC)NCC)CCC1	2000377552	XSZKVVHOWRPCQC-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H](NCC)C1CC(CC)C1	2002304563	LLHWESGVCYJKMQ-BCLQGDPASA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@](C)(N)CCCC(C)C)CC1	2002924412	JXGDGSGLLHTLJB-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCCCCC1CCC([C@H](O)CC(C)C)CC1	2003109711	XQOFBXQDIQMSEI-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
O[C@@H]1CCCCCCC[C@H]1CC1CCCCC1	2003117369	NNFCAEHCSFMZJA-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2003212551	XTPRMEAHVZLVDG-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](C)(CN)C[C@@H]1CCCC2(CC2)C1	2003212828	ZUQGMBOMGYXWOZ-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CC(C)(C)CC(C)(C)NCC1(C)CC(C)(C)C1	2003409943	LKBCYZDYHKJQIG-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C=CCC1)c1cccs1	2003678771	GBJWZJMBYSSJFY-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@@H](C)CC(C)(C)C)C1	2006608764	OSRDCTYDIDPIDS-LZWOXQAQSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](C)C[C@H](NC)C1	2006621556	UIFDUXXBUNAOPG-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCC(C)=C1C	2006913028	GPDNCKXPLZEAPD-HOCLYGCPSA-N	237.431	4.824	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H](C)C2CCCCC2)CC1=O	2006946026	IAXLAOKPVKSUBX-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C2CC(C)(C)C2)CC1	2007681160	HEPTZXAXRCGPLG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCC1CC(O)(C[C@H](C)CC(C)(C)C)C1	2009712210	JJLQJKMGHNUADI-VQCLRJIVSA-N	240.431	4.780	0	10	BJAE	
CCCCCC1CC(N[C@H](CC)CC2CC2)C1	2009716183	PACYOBUCGOWGKV-HWOWSKLDSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CC(=O)CC[C@]12CCC[C@H]1C2)C(C)(C)C	2011010104	DCOMRFLNQPPGCM-WWGRRREGSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCCN[C@@H]1CCCCCC12CC2	2011278059	QGSYWAOCRAXXEQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@@](CC)(CNC1CC1)C(C)C	2012421222	JPMUUOSBCISHLL-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)C[C@H](C)C(C)C	2015277832	JTZNOLVPDNOBCH-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(CCC(O)(C(C)C)C(C)C)C(C)C	2015332811	ARRHNKFJJPPTEG-UHFFFAOYSA-N	242.447	4.738	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C[C@@H](C)C(C)C	2015407790	DKLZCKSPZNURKN-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H]2CCC(C)(C)C[C@@H]2O)CCC1	2015634450	RRUGZSNHGHKKLN-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](N)C2(C(C)C)CCC2)CCC1	2015644282	LHNSJKYFVHVLNR-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1(CC(C)C)CC1	2015755934	XTXJCEKTUCQXBP-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CC[C@@H]2C2CCC2)c1	2017043088	NEKNHWQMAXUXRM-TZMCWYRMSA-N	249.785	4.639	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@@H]1CCCCC1(C)C	2017476920	CEHIJLKPEJSWSN-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C[C@H]1CC[C@H](C)CC1	2017713732	BTHRRMYJKRFKOJ-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)CNC[C@H]1CC[C@H](CC)CC1	2017722411	FVRHPOSIXWQODP-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC1CCC(CC)CC1	2017724826	ZPLGPEWOBRYSQA-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
CCCC1(C[C@@H](O)C2(C)CCC(C)CC2)CC1	2018970423	PEJPIOANKUYVMU-SHARSMKWSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@H](C)CCC(C)C)C1	2019200343	GYDONWGRYKAQQD-OAGGEKHMSA-N	239.447	4.712	0	10	BJAE	
CC(C)C[C@H](C)N(C)[C@H](C)[C@@H]1CCC[C@H](C)C1	2019297079	GTCWESSWYXSCHQ-CAOSSQGBSA-N	239.447	4.568	0	10	BJAE	
CCN(CCCCCC(C)C)C1CCCCC1	2019339627	CUOFFFLRDVQXGO-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC(C)CCCCCN(C)C1CCC(C)CC1	2019344578	OVNKCAKCYREPOS-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCC1(CN(CC)C2CCCCCC2)CC1	2020503041	FCHPMMGTYRCUOP-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC=C(CC)[C@H](NCC)C1CCC(CC)CC1	2020964166	FNTJMAMPZUDXJH-BCLQGDPASA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H]1C[C@@H]1C(C)(C)C	2022501271	GUEQXFPDAZFNRF-DZKIICNBSA-N	239.447	4.604	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2022556755	IOPNNGFKQHGSEK-JGGQBBKZSA-N	236.399	4.598	0	10	BJAE	
Cc1cnc(-c2ccccc2C(C)C)cc1Cl	2023460291	LEYTVZNAOOIGLQ-UHFFFAOYSA-N	245.753	4.834	0	10	BJAE	
CCCC(=CC1CC(C)(C)CC(C)(C)C1)CN	2024090751	BEJRJGZYNBGCCP-UHFFFAOYSA-N	237.431	4.524	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@H]1CCCC(C)(C)C1	2024093528	CGCJOZJOVZAAIX-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCNC12CCCC2	2024625169	ZSOPIYOKRZORKH-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C1=CC[C@H](C)CC1	2026167111	PAJFSXJFSNPVNE-DZKIICNBSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC1CCC1)NCC	2026169349	HZGSZEOUQILJFP-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NC)c1ccc(CC)cc1	2028265064	QTAMQRBOQCXQOB-SJORKVTESA-N	247.426	4.582	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1ccc(C2CC2)cc1	2028606533	WSEJAUNWWHSPEL-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
N[C@H](CCCCCC1CC1)CC(C1CC1)C1CC1	2028645512	JRSCCDWTDUDMTK-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)C1	2028964792	NBFPEJUJXPLYSR-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)c1ccc(C2CC2)cc1	2029079555	XWXDNTRSHZAHEG-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc([C@](C)(N)[C@H](C)CCC(C)C)cc1C	2029824741	NFYUNXNUQCPBHV-NVXWUHKLSA-N	247.426	4.550	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@@H](C)C1CC1	2032152538	LBLNLZYGQHKQRJ-CYBMUJFWSA-N	245.410	4.578	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC1[C@@H]2CCCC[C@@H]12	2032822088	OLVANGWVSOVSRO-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1C[C@@H]2CCCC[C@@H]2C1	2034150268	PKZFQAUNJDXCPP-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C2(C)CCCCCC2)c1	2037072357	OJCRNSPBZPMGNF-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
CCC1(C[C@@](N)(CC)c2ccc(C)cc2)CCC1	2037102947	HNXCKODCSBGWEZ-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2037681123	CXAFJTPVVBDLID-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C[C@@]1(CNC2CC2)CC12CCCCC2	2039000769	VDVBQYAZJFBGSS-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@H]1CCC2(CC2)C1)C1(C)CCCCC1	2039860287	UNXFSFMKQSZDFY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)c2cccc(C)c2)CC1	2041383771	PWEBARIOUHMCBD-HLLBOEOZSA-N	246.394	4.635	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C1CC1)[C@@H]1CC=CCC1	2042016448	KFGANBWPAMMOEE-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@]2(C)CC=CCC2)CC1	2042087746	WAGMWDVWXNHERT-QGZVFWFLSA-N	248.410	4.908	0	10	BJAE	
CCCC1(C(=O)c2cccc(C3CC3)c2)CCC1	2045568508	YFKHWQOLZNXJBR-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
Cc1cccc2cc(C(=O)CCCC3CC3)oc12	2045607175	MKNXTAFCZBBYTQ-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CC(C)=C(C)CCN1CC[C@@H](C)c2ccccc21	2046580061	YIQGQPVMGAYFPM-OAHLLOKOSA-N	243.394	4.747	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CC12CCCCC2)C1CCC1	2047054330	CQAVINJJAUZEBY-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
N[C@@H]1CCCCCCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2	2049704026	KBQHQFXJPIVWID-ZOFXXKQRSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC12CC2)CC1(C)CCCC1	2049804499	NURLJFJFTQMNEH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H](N)C[C@H]2CCC=CCCC2)CCCC1	2049805616	AXCZIRQYJGTKNL-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
C[C@H](CC1CCC2(CC1)CC2)C[C@H]1CCCCN1	2049849579	RJLQKEDBPZPHBN-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@]1(C[C@@H]2CCCC3(CC3)C2)CCCCCN1	2049854588	HJQJUSQWCIAVEC-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CN[C@@H](C[C@@H]1CCCC2(CC2)C1)C1(C)CCCC1	2049862342	WBDLGKKAQYFYRZ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@H](N)CC1CCC2(CC1)CC2	2049938203	OHMCLVGANASSCI-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@]2(C)C=CCCC2)cc1	2049998461	VQRLWSNJCRMCSV-IAGOWNOFSA-N	244.378	4.590	0	10	BJAE	
CCN[C@H]([C@@H]1CCC(C)(C)C1)[C@@]1(C)C=CCCC1	2050009307	MHMDZZUHYGLFGK-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](O)CCCCCCC2CC2)cc1	2050440027	FDMJMEIPTPKJSF-KRWDZBQOSA-N	246.394	4.779	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CC(=O)c1ccc(F)cc1	2050495367	SRMAFJWBFQYKMK-OCCSQVGLSA-N	248.341	4.615	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2051407093	HWVMCVUEQAWBNI-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1c(C)coc1CC	2051409407	QQROYNUPOTWVIM-CQSZACIVSA-N	249.398	4.547	0	10	BJAE	
CCC(CC)C[C@]1(CNC2CC2)CCCC12CC2	2053363842	HINPRAHCMSTVFU-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H]1N(C)C1CCC2(CCCC2)CC1	2055269658	JBSXLLQFKQVYCV-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
CC1=C(C)[C@H](NCCCC2CCCCC2)CCC1	2055549821	OVJUEFHEMPLHQX-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@](O)(C=C1CCCCC1)C2	2056861697	BFHJCZLWCVTBJQ-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCCCCN1C[C@@H]1CCC=CCCC1	2057104087	WVMIANHNNNMZIL-DLBZAZTESA-N	249.442	4.778	0	10	BJAE	
O=C(CC1CCC=CCC1)C[C@@H]1CCC[C@@H]2C[C@@H]12	2057354108	NPDFXRRHXJEFSG-UXLLHSPISA-N	246.394	4.518	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)C1(C2CC2)CCCC1	2057609315	OQYDNWGMRYBKQH-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2C=CCCCC2)CC1	2059002326	DKUAFVVERNQDKU-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CCCCCC1CC(N[C@@H](CC)c2ccco2)C1	2059496861	FXGRFVJPZUNBIG-NRXISQOPSA-N	249.398	4.679	0	10	BJAE	
C[C@@H]1CC=C([C@@H](N)[C@H]2CCCC(C)(C)CC2)CC1	2060930146	QIVQCFUJNRXLPJ-YCPHGPKFSA-N	249.442	4.667	0	10	BJAE	
CCCC1CC(C(=O)C2CC3(C2)CC(C)(C)C3)C1	2063803516	IXYQWUAWSSBQCB-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)c1ccc(CN)cc1	2067354637	NMHQIFMQIKLDNA-LSDHHAIUSA-N	247.426	4.855	0	10	BJAE	
CCc1cc(N[C@H](C)C2(C)CCCC2)ccc1F	2067519211	DODYKGIPRDGDMF-GFCCVEGCSA-N	249.373	4.769	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H](C)C1(C)CCCC1	2067530931	VIBSVCHRGXYYGW-LSDHHAIUSA-N	249.442	4.824	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)[C@H]1CCC1(C)C	2068235635	GUOGFIAUTMKSGC-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@]2(N)C=CCC3(CCC3)C2)CCC1	2069284836	LFRFZXIAMWMDIW-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCCC1(C[C@@H]2CCN[C@H]3CCCC[C@@H]32)CCC1	2069345624	WWXYEBKIOOOLLN-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C1CCCC1)n1ccc(C2CCCCC2)n1	2070131549	ODSGRNTXXTYSPU-CYBMUJFWSA-N	246.398	4.682	0	10	BJAE	
Cc1ccc(C(=O)CC2(C(C)C)CCC2)c(F)c1	2071918427	CPBKFJQXDWIHBA-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCN[C@@H](C[C@@H](C)c1ccccc1)C(C)=C(C)C	2072424833	LLZISFKDYFIENX-PBHICJAKSA-N	245.410	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)C2(CC3CC3)CC2)CC1	2072799530	ULRRIHLIPLRDIP-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H]1C[C@H]2C=C[C@H]1CC2	2073348223	WISWULOGDLDEAY-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCC(=C[C@@H]1CCCC2(CC2)C1)CNCC(C)C	2073789617	GMDBXALQJWSQTM-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2074115366	XLNFXEHMGZKISM-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(CN(C)[C@H](C)C(C)(C)CC)cc1	2074920059	BGOVOQNJBFMPTG-CQSZACIVSA-N	247.426	4.506	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](O)CCC1=CCCCC1	2075714745	DANBMHJGBWGDSV-USXIJHARSA-N	248.410	4.620	0	10	BJAE	
CCN[C@@H]1[C@H](C[C@H]2C=CCCC2)CCCC1(C)C	2076396730	WVMVTRHUTBLALR-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@H]1C[C@@H]1C=CCCC1	2082221753	QQDNUFPDJONNIP-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](CC2(CN)CC3(CCC3)C2)C1	2082981244	BRBMCXJLGQKEEU-CQSZACIVSA-N	249.442	4.502	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)c1ccccc1C	2086050656	NNDDJLOUSQUFBH-WMLDXEAASA-N	247.426	4.862	0	10	BJAE	
Cc1cc(Cl)cc(O[C@H]2CCCC[C@H]2C)c1	2212529663	CBZOCMGVDMWEBR-RISCZKNCSA-N	238.758	4.606	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCCCC1CC1	2214583512	QWDCZJMTOQTUKU-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@](C)(CC[C@H]1C[C@H]1C)CNCCC	2215256493	VGSIIBMCYDODPU-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCN(C)[C@H](CC)CCC(C)C	2215366569	XOIMVMYKLAFVKX-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
Cc1csc(C)c1C(=O)C1(C)CC2(CCC2)C1	2215374311	IHFMRPZZBCDCJD-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC1(C)CC(C)(C)C1	2215395211	WWHLMDBCSQKQQN-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1(C)CC(C)(C)C1)NC	2215402891	WTANNOLHSRPTIK-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1(C)CC(C)(C)C1	2215439548	HYJZDASRKCNKAO-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
Cc1cc(-c2ccc(C(C)C)cc2)c(C=O)s1	2215939572	DCHQCVACZBZAHD-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H](C(C)(C)C)C1)C(C)C	2216257730	MRRHIEKUFSGHEK-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](C=C(C)C)NCC)CC1	2216286648	WXQNLNWZRDMYNF-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1[C@@](C)(O)CCCCCCCC1CC1	2216893414	KZRGEJKRYRXDDM-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CN[C@@H](C)CC)C1CCCC1	2217128648	KQJGYQKUKTVARE-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NCC1(C(C)C)CCC(C)(C)CC1	2217150921	PWANYRXJZDCWDE-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CCC(C)(C)C)CNC1CCC1	2217156919	OUOUZTMFZXQSNV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
O=C(CCCCC1CC1)[C@@]12CCCC[C@@H]1CCC2	2220012966	KKHXRGRUUBHNAN-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1C[C@H]1CCC1(N)CCC2(CCCCC2)CC1	2220849406	CKFOTSHSFVMOHW-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2(C)CC3(CCC3)C2)C1	2221036780	BZMJUHGNCAHXOY-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@@H](CNCC2(C)CCCCCC2)CC1	2221669658	ZBJUEQIAQNPDLC-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCCCCCC(=O)CCCC[C@H]1C[C@H]1C	2243067124	QLXLGSCDFJCQFH-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cc(C)ccc1Cl	2244779368	DGVZZAWJWAWLQR-LLVKDONJSA-N	238.758	4.657	0	10	BJAE	
O=C(c1cc2sccc2s1)[C@@H]1CC=CCC1	2246050250	XJBKJCGAJGCYHM-SECBINFHSA-N	248.372	4.502	0	10	BJAE	
CC1CC(C)(C[C@](C)(O)CC2CCCCC2)C1	2246447657	KVZZGPBJCIUUJY-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CCC(N)(CC2(C)CC(C)C2)CC1	2246520724	VYIWUNKYIASZQK-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)CC[C@H]1CCC[C@@H](C)C1	2246724692	FRIPXWLNSNHPEZ-OAGGEKHMSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CC1CC2(CCCC2)C1	2246819888	PXQUMACBJANLIX-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@H]1CCC12CCC2	2247311128	ORILSCOBMOZIQY-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2250357568	XAHIVSYWEHVTPV-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C[C@H]1CCCCC12CC2	2253805074	LEFPKMZEIVERPO-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C[C@H]1CCCCC12CC2	2253807555	CXGUNFLIPJXLDT-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC1CC2(CCCC2)C1	2254121069	BNXLIXGPWYRULF-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C)c1ccc(C)c(CCC=C(C)C)c1	2254229431	PALKJVQHMVKEMO-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)C1(CC2CCC2)CC1	2254603636	CPKPYQFWZZZIGT-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CCCC[C@H]2C[C@H]2C)c1	2254610080	NWRLYAOPBILMLE-VYDXJSESSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H](C)C[C@]1(CNC2CCC2)CCC12CCC2	2254850598	AZAIJMQFGOVQIZ-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)CC2=CCCCC2)C1	2255096147	JAFAZLDVVDZFRD-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
C1=C(CC[C@@H]2CCOc3ccccc32)CCCC1	2255115357	BNWSKMPODCEGOZ-OAHLLOKOSA-N	242.362	4.833	0	10	BJAE	
CN(CC1=CCCCC1)C[C@H]1CCC=CCCC1	2255143763	LRWVHUQMHMZDFF-INIZCTEOSA-N	247.426	4.555	0	10	BJAE	
CCCc1ccc(CN(C)CC(C)(C)CC)cc1	2256319673	UUZSPEZSJYYVHE-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
C[C@H](N[C@H]1CCCC(C)(C)CC1)[C@@H]1CC12CCC2	2256448934	UUDFTZNJIZTSFH-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@]12C=C[C@@H](CC1)C2	2257290102	LXQYTBODVUVZLO-AESZEHBQSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H]1CCNC2(CCC2)C1	2257362662	UAQBATYUHFBJQX-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(NC[C@@H]2CCCC[C@@H]2C)cc(C)c1C	2258236205	HKHXFOPWYXJDSN-LRDDRELGSA-N	245.410	4.850	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H](C)CC[C@H]2C)cc(C)c1C	2258247497	PJOXMHSCMBREHG-XWCIJXRUSA-N	245.410	4.848	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@]23CCC[C@H]2CC3)CC1	2260599111	DHBGRIXTGSIBNF-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@]12CCC[C@@H]1CC2	2260659198	UTHDHTSQSPLDTR-INMHGKMJSA-N	248.410	4.886	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CCCNCCC2)C1	2261296755	UPVKYRZWCJDGGR-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C[C@H](N[C@H]1CC(C)(C)CCC1(C)C)c1ccoc1	2261392537	OPWUYAZFLQICQG-JSGCOSHPSA-N	249.398	4.535	0	10	BJAE	
CC1CC(CC[C@@H](N)C[C@H]2CCCC3(CC3)C2)C1	2261493824	SXQHECOVIVHYCT-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@]12CCC[C@@H]1CC2	2298685109	DQVNZGWCBJGUQN-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)C(C)(C)C	2300463717	PSJYIEWSPIIAQF-CYBMUJFWSA-N	233.399	4.965	0	10	BJAE	
Clc1ccc(C2CC2)cc1NCC=C1CCC1	2300673246	FPTNTDLNLMVWTK-UHFFFAOYSA-N	247.769	4.740	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@]1(C)CC=C(C)CC1	2300681023	KPEDAKSAJVPQAC-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](CCC(CC)CC)C1	2300686479	RDTCARRQQXKCDZ-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCC(=O)C12CCCC1CCC2	2300687584	DOHLNMONXYGMDB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCC[C@H]1C(C)C	2300688796	QLTVXYXHZDVNBB-LSDHHAIUSA-N	238.415	4.844	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H](C)C1CCCCC1	2300878834	CAQQNGVUZSVZNS-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@H](CC[C@@H](C)CCCC)NCCC	2300898542	FRMSZVLPFBEIEZ-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CC(=CC[C@@H]1CCCC[C@H]1N)CCCC(C)C	2300901599	LCBUIZPJLNDIBN-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC(=CC[C@@H](CO)CC(C)C)CCCC(C)C	2300932911	XYMDMFNRRZFSTG-MRXNPFEDSA-N	240.431	4.804	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC)CC1CCCCCC1	2301243132	ZDNHEYISDMKQTR-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N[C@H]1CCCC(C)(C)CC1	2301686768	XZOLPAYROZTIJK-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@@H](C)C(C)C)C1CCCCC1	2301706486	GFMBWODIAUOALB-DZKIICNBSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](Nc1cc(F)ccc1C(C)C)C1CC1	2301906812	CXUIRDZMSQQATB-AWEZNQCLSA-N	235.346	4.550	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1cc(F)ccc1C(C)C	2301913149	OVKOTEXVYQWWIA-BXUZGUMPSA-N	235.346	4.550	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)CC(C)(C)C	2302356684	PWRGMYSYQJEYBJ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CC[C@H]1C(C)(C)C	2303443151	ATXSAJCHUVRGGK-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC(=O)C1CCCCC1	2303469837	HEGBNCUYVSZHRF-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@@H]1CCC(C)=C(C)C1	2303517179	UZCPRNDRNDFUBR-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CC[C@H](C)C(=O)C2)CC1	2303593699	ZUPIXFAHDACDNV-CFVMTHIKSA-N	234.383	4.518	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](C)CCC(C)C)c1	2304012815	VOJBEUSILRIAHP-LBPRGKRZSA-N	237.362	4.625	0	10	BJAE	
CCCC1CCC(N)(C[C@H](CC)CCC)CC1	2307749173	HQFAWGNMMMDJCO-QQFBHYJXSA-N	239.447	4.891	0	10	BJAE	
N[C@@H]1C[C@@H]2CC[C@H]1C[C@H]2CCCCCCC1CC1	2313003858	KGXMSUHBTWROIZ-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)C[C@@]12CCCC[C@@H]1CC2	2313322289	FDPVINGHNBIASK-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@@H](N)[C@@H](CC)CC(C)C)ccc1C	2314696424	DMYXHUGKTXKPHZ-RDJZCZTQSA-N	247.426	4.630	0	10	BJAE	
CCCC1(C(=O)c2ccc(C)c(CC)c2)CCC1	2314697096	LDPNNJQABBWGPW-UHFFFAOYSA-N	244.378	4.711	0	10	BJAE	
Cc1cc(C)c([C@](C)(O)CCCC(C)C)c(C)c1	2315911747	ZVZJKKVWMAXWLI-QGZVFWFLSA-N	248.410	4.646	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)c1cc(C)cc(C)c1	2316242665	HBDDMWGAIQPJEU-QGZVFWFLSA-N	248.410	4.727	0	10	BJAE	
CC(=CCN[C@]12CCCC[C@H]1C2)CCCC(C)C	2316498191	ZZQNKHIDJGUUBF-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1CC2(C1)CC2(C)C	2316540427	UUAKYBAAYWIMRX-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(CN2CCC3=C(CCCC3)C2)CC1	2316870820	UWOFRQBDRHOCCX-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1CCC(C)=C(C)C1	2320238660	XCERCMQYIXFXBP-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@H](N)[C@]1(C)CC=CCC1	2320244189	QNZNANAHAPWGEP-PNBKFKSVSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@]12CCC[C@H]1CC2	2320317530	KBYQPPHSNBVEJY-ZJOBFFGXSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(CN)CCCC2(C)C)CC1	2320331950	UHWJAXAGEBQYHR-RDJZCZTQSA-N	249.442	4.668	0	10	BJAE	
CC1=C(C)C[C@@H](C=C2CCC[C@H](CCN)C2)CC1	2320332808	APKXRAYYFOVKES-WBVHZDCISA-N	247.426	4.588	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H]([C@H](CC2CC2)C2CC2)C1	2320691526	FMZKKRWLKBFAHH-DAXOMENPSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@@H]2CCC[C@H]2C)c1	2327702939	BGUFPRCPYQSVIU-UNEWFSDZSA-N	245.410	4.554	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@H]1CCCC[C@@H]1C	19981896	CPMITLLIVYAICZ-HOCLYGCPSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)c2ccccc2C)c1	20021056	VRQMBSDVBPECCG-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1c(F)cccc1F	20476082	PFNAZBSJSCPYBA-QWRGUYRKSA-N	241.325	4.592	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H](C)c1ccccc1	21521009	OGMDLCZXUHZLCK-DZKIICNBSA-N	233.399	4.552	0	10	BJAE	
CCCCCC[C@@](C)(CCCC)NCC	32156927	ZAOQCFLACITKQT-CQSZACIVSA-N	213.409	4.515	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)c1ccc(C)cc1C	35579609	OOHMYDDJXAKKNG-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
S=c1[nH]c2ccccc2n1C1CCCCCC1	36963109	YFNHORYIPMOVCQ-UHFFFAOYSA-N	246.379	4.594	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)c1)C(C)C	37231157	FFFWVXZWKWWCNE-HNNXBMFYSA-N	219.372	4.657	0	10	BJAE	
CC1=CC[C@]2(C)CCC(C(C)C)=C2CC1	70454715	MGMBZNCFUFRSSP-OAHLLOKOSA-N	204.357	4.869	0	10	BJAE	endogenous,in-man
CCc1ccc(N[C@H]2CCC[C@H](C3CC3)C2)cc1	81624194	CLTBHSUUGBAPMK-RDJZCZTQSA-N	243.394	4.630	0	10	BJAE	
CC[C@H](Nc1ccc(Cl)c(Cl)c1)C1CC1	83054166	DUBIBHGFWYSURI-LBPRGKRZSA-N	244.165	4.594	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccccc2Cl)CC1	83427131	DCVHTNORDBUBGV-NWDGAFQWSA-N	237.774	4.721	0	10	BJAE	
CCCC[C@H](CC)CNC1C[C@@H](C)C[C@@H](C)C1	84462782	DBCICFULODLVHI-QGPPMGRFSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)NC1C[C@@H](C)C[C@@H](C)C1	84468180	RITHOBUTXYLORR-QGPPMGRFSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccc3c(c2)CCC3)CC1	86878823	BZXWWNRYJSNISI-CJNGLKHVSA-N	243.394	4.556	0	10	BJAE	
CC(C)(C)CCC1(CN)CCCCCCC1	87690092	FIFRNXSPWFTYHU-UHFFFAOYSA-N	225.420	4.502	0	10	BJAE	
CC[C@H](C)C[C@H](C)Nc1nccc2sccc12	88298563	OTWYHEBZPJJMOC-QWRGUYRKSA-N	248.395	4.533	0	10	BJAE	
O[C@H](CC1CCCCC1)c1ccc(C2CC2)cc1	94523261	XYMZOEPMKYSMCE-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CC(C)C1=Cc2c(cccc2-c2ccccc2)C1	95845610	PYQXXOYKKVYSOV-UHFFFAOYSA-N	234.342	4.949	0	10	BJAE	
Cc1sc(N)cc1-c1ccc(C(C)(C)C)cc1	105882728	WYNYFWJDASGADE-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
C/C=C\C[C@H](C)c1c(C)c(C)cc(C)c1C	107657978	MWYQEPYTPRNTCM-TVRMLOFPSA-N	216.368	4.990	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cccc(F)c1F	109921783	QCCUHVFQMIVAJK-MNOVXSKESA-N	241.325	4.592	0	10	BJAE	
CCCC[C@@H](CC)CNCCC1=CCCCC1	110168234	JOIXNPMMJFGGLA-OAHLLOKOSA-N	237.431	4.683	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@@H]2CCCC[C@@H]2C)c1	132420712	WOMMNEQBZVKCBM-YQQAZPJKSA-N	245.410	4.533	0	10	BJAE	
Clc1ccc(N[C@H]2C=CCCC2)cc1Cl	136743003	SYXOEUOMAJZAEI-VIFPVBQESA-N	242.149	4.514	0	10	BJAE	
CC(C)CC1([C@@H](N)CC2CCCC2)CCCC1	162712030	RQIXAJSHUOVWCU-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccccc1C(C)(C)C	163840079	AOWYAFYNOMIOEK-UKRRQHHQSA-N	245.410	4.975	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@@H](C)CC(C)(C)C	168153623	PADGKUNIXYWCPH-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C[C@H](C[C@H](O)CC1CCCCC1)c1ccccc1	203687641	FSJMHCXREDOYBT-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC[C@@H](C)C1)c1ccc(C)cc1	216328096	DHANXGYPWPGRLF-DJIMGWMZSA-N	245.410	4.614	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H]1CCC[C@@H](C)C1	218020242	DZQOMFOEZDPLOW-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)C1CCCCC1	225976501	IFMWRRADLMZXIR-GOEBONIOSA-N	239.447	4.904	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@H]2CCCC2(C)C)cc1	226657885	NELRIFCVIFNSOJ-HZPDHXFCSA-N	246.394	4.670	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CCCCC1(C)C	226819036	NTTFTZPKXCIJKC-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)(C)C)C(CC)CC	228692148	BNBPAMVRJYJBLR-ZFWWWQNUSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@]1(O)CCC[C@@H](CC(C)C)C1	230784121	LGYFZPAEMYLHJD-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCC[C@]1(N)CCC[C@@H](CC(C)C)C1	230789643	JWAUWFDNAAPIMT-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CCC1([C@H](N)C2=CCCCCCC2)CCCC1	232901197	QLESASXILDWXIW-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C(C)C)[C@H](C)NCC	251387397	SPPXZFKXYNIKJN-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@H]1CC1(C)C	300424935	NKDGTNPGZNLTQO-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1cccc(Cl)c1	300830437	IDYOZWPMHWIDFH-CYBMUJFWSA-N	240.774	4.590	0	10	BJAE	
CC[C@@H](CCCC(C)(C)C)CNC(C)(C)C	300872454	NJCHGEFYIFLRSQ-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)C)c1ccc(C)cc1C	302262896	CBCDHSSLTUVXQX-PBHICJAKSA-N	247.426	4.636	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1ccc(C(C)(C)C)cc1	305968338	PLWMZUJPFGCBIH-CZUORRHYSA-N	248.410	4.700	0	10	BJAE	
CCC[C@H](Nc1c(C)cc(C)cc1C)C1CC1	310148528	HHWNEJQYBCTASC-HNNXBMFYSA-N	231.383	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(CN)CCCCCC2)C1	310284230	ZIEVULNAFWYKPS-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
Cc1ccccc1[C@H]1C[C@@H](C)c2ccccc2N1	310828257	YKERNMXTGOMKIC-CXAGYDPISA-N	237.346	4.655	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCCC2)CC[C@@H](CC)C1	318427912	LSKUNIOHKXNDSC-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CCCC[C@@H]2C)n1	385038214	QUCHHDGPTQJKTM-SDDRHHMPSA-N	237.412	4.950	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCC1=CCCCC1	385817775	RDNWUACXBNIZMM-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCc1cc2scc(F)c2cc1C(F)(F)F	396294330	HNOQGCKMZJRNCZ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
C[C@@H]([C@H](N)c1cccc2ccsc12)C(C)(C)C	399088297	AOWXWWIKEXAABL-GWCFXTLKSA-N	247.407	4.583	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1	403440636	ZWDGFIQNTCJCMY-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1CCC(N)(CCCC2CC2)CC1	405955726	JUYFEBPQSMESKX-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CCCCNC(C)(C)C)CCC1	686129380	UVZRODFPHKFGOF-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCCC1CCC(N)(CCCC2CC2)CC1	690422023	KPBGAVCVELIZQV-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)C1CC2(CCC2)C1	691917546	AJFVVAOXZZJYAQ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1N[C@H]1CCC12CCCC2	693792260	DEOYDIZOEMLADT-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@H](O)c1csc2ccccc12	697600034	WTMDCBPYULAWOO-AWEZNQCLSA-N	246.375	4.681	0	10	BJAE	
CCc1ccc(NC2C[C@H]3CC[C@H](C2)C3)cc1C	697723104	DSZSOGCBVLCYCV-KBPBESRZSA-N	243.394	4.548	0	10	BJAE	
CCC(C)(C)CC(=O)c1cccc2ccccc12	700332782	IKAXSWBQMUEVCY-UHFFFAOYSA-N	240.346	4.849	0	10	BJAE	
CCCCC[C@H](C[C@H](CC)CC(F)F)NCC	701539394	UIYCQZSXINBXBG-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
C/C=C/[C@H](NCC)C1CCC(CCCC)CC1	704655635	INQNKKPSVRMDSE-SZIKRLNESA-N	237.431	4.537	0	10	BJAE	
CCC1CCC([C@@]2(N)CCCCC[C@@H]2C)CC1	704928447	LZBZHEKPZQPAFQ-SLTXQBBLSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H](C)CC(C)(C)C	708271322	QSDDOPFNQQGSHK-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1)[C@]12CCCC[C@H]1C2	709095421	LIESSSNUHNRUFL-SLEUVZQESA-N	249.785	4.721	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1)[C@]12CCCC[C@@H]1C2	709095423	LIESSSNUHNRUFL-YWPYICTPSA-N	249.785	4.721	0	10	BJAE	
C[C@H](C[C@H]1CCc2cc(N)ccc21)CC(C)(C)C	709097723	RRMKIVBFMCWYNZ-CHWSQXEVSA-N	245.410	4.761	0	10	BJAE	
CCc1ccc2nc([C@H](C)CC(C)(C)C)[nH]c2c1	709138580	ZLAWQICHNGEOQT-LLVKDONJSA-N	244.382	4.665	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(O)CC[C@@H](C)C[C@H]1C	709261556	QUEUVYKGMBMSCY-CTASWTNQSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@H](N)c1cccc(C(C)(C)C)c1	709503892	ZPEMINZHQUSNGU-OAHLLOKOSA-N	233.399	4.564	0	10	BJAE	
CC[C@@H](N[C@@H](C)CC1CCC1)c1cccc(C)c1	710196291	OESQNGXVBMDAIA-WMLDXEAASA-N	245.410	4.614	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](C[C@@H](C)C(C)(C)C)C1	710773038	MQHQFFHXBPUGMV-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C[C@@H](N)c1csc(C)c1)C(C)(C)C	711101681	CVIFPIXESWWFFK-CHWSQXEVSA-N	239.428	4.519	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](N)C[C@H](C)C(C)(C)C	711111369	TZJJJOWGFKVYOC-IMJJTQAJSA-N	247.426	4.580	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(N)CC(C)(C)CC[C@H]1C	713165674	RBOQDKQPOJHOGS-CZUORRHYSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H](C)C(C)(C)C	713242479	ZLEGAZAVQHWBKR-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
N[C@H](CCC1CCCC1)c1ccc(C2CC2)s1	716532979	MMVIPQDGNVAOKD-CYBMUJFWSA-N	249.423	4.596	0	10	BJAE	
CCC(C)(C)C1CCC(NCC2CC=CC2)CC1	717342020	PHOCIGAJUBMWLK-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)N[C@@H]1CC(C)(C)CC[C@H]1C	717531523	INRUTHNMKSTVEX-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)c1ccc(F)cc1	718523318	ABWPATFNGRTDKP-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCCC[C@@H](CCC)NCCC(C)=C(C)C	718602712	CZALANWRNQMIQF-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CC[C@H](C[C@@H](N)CCCC(C)(F)F)C(C)(C)C	718610464	JHWCUVVRCOOCST-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1cscc1Cl	718636472	GUECVNVAWUXFHF-GFCCVEGCSA-N	244.787	4.571	0	10	BJAE	
CCC[C@@](O)(CCC(C)=C(C)C)[C@@H]1CC1(C)C	718703964	ZRZLFELBJMIWRC-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H](N[C@H](C2CCCCC2)C2CC2)C1	723946773	GYPPXVFMYSFEKV-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C2CCCC2)C2CC2)C1	723960019	MFJKGQAFSKVYEO-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
C/C(=C/Cl)CSCc1ccccc1CF	1166064142	ANOGZGWYPTWZMD-POHAHGRESA-N	244.762	4.532	0	10	BJAE	
c1ccc2c(SCCCC3CC3)ccnc2c1	1458948140	JVIRGLZCJVLZPT-UHFFFAOYSA-N	243.375	4.517	0	10	BJAE	
CCC1(CC)CCC(NCCCC2CC2)CC1	1461608204	ZKDWUXBYFDEIOV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](O)(CC)CCC[C@@H]1C[C@@H]1C	1896919017	ZJQIHRRMCIJSOQ-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
Clc1ccc(C2CC2)cc1NC1CCCC1	1900690043	BJPBDFMMOHDODP-UHFFFAOYSA-N	235.758	4.572	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cc(C)sc1C	1900697818	RHACHLVKDHQDSW-AWEZNQCLSA-N	239.428	4.581	0	10	BJAE	
CCC(CC)CCN(C)c1cccc(Cl)c1	1900699607	BWXMECPBWUWBMO-UHFFFAOYSA-N	239.790	4.603	0	10	BJAE	
CCc1cscc1NC[C@H]1CCCC[C@@H]1C	1902381349	MLDBZKHANVUJNS-WCQYABFASA-N	237.412	4.549	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H](C)C(C)(C)CC	1905445139	JBAFWMMOBBQYEN-KGLIPLIRSA-N	227.436	4.569	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@H](C(C)(C)C)CCC1=O	1911778379	NPEBWOYBZZLTHX-ZIAGYGMSSA-N	234.383	4.540	0	10	BJAE	
CC=CCCN[C@H](C)c1ccc(CC(C)C)cc1	1911961296	YTVVRRJVFRZLJY-OAHLLOKOSA-N	245.410	4.502	0	10	BJAE	
CSc1cccc(NC2CC3(CCCC3)C2)c1	1912720036	AOJSQGFBWOHWLJ-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
CCC1CC(CN[C@@H]2CCCCC23CCCC3)C1	1921245732	ARJHVLCZUXKQBF-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC[C@@H]1CC1(C)C	1921431272	BPSZCSVYSONUNH-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC[C@](N)(CC[C@H]2CC2(C)C)CC1	1921541908	UOSOUCIHCJORMB-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)[C@H](C)C1CCCCC1	1924101386	RMHCYXGQOYFEMW-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@H]1C=CCCCC1	1925926084	QOIAFXOMWHBGAS-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CC(CC)CC	1926168165	AEPDDEMNADQVHY-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)CCN[C@@H](C)c1csc(C)c1	1926171384	FQBZAUGASLFPJH-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1ccc(Cl)s1	1928722959	BWYKXGZWGINTOU-JOYOIKCWSA-N	246.803	4.507	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@H](C)CC(C)C)C(C)C	1936207684	ZZRXOWYVGGAKLE-KGLIPLIRSA-N	226.404	4.556	0	10	BJAE	
Cc1cscc1NCC1C[C@@H](C)C[C@H](C)C1	1937458447	YIXLAQAPRHMNLF-QWRGUYRKSA-N	237.412	4.541	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)CCC1CCCC1	1940245555	XWJPOFRRIBJHFW-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C[C@@H](C)CC(C)(C)C)C1CCC(N)CC1	1940967835	UVYUXEIEOGDEEV-DNDYEEKYSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C(=O)CCCC1(C)CC1)C(C)C	1941264301	QWGZNNVBQKCUGW-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@H](CC)C(C)C	1941272972	OBDOOARVDOPDLZ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@](O)(CCCC1CCC1)C1CC1	1941470556	RRHLKOAQJYQMJK-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	1945312033	VGMNBJVBSZCAEE-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](CC)N[C@@H]1CCCCCCC1(F)F	1947298642	VFJNHWSTIWINAW-CHWSQXEVSA-N	247.373	4.513	0	10	BJAE	
CCC(F)(F)C(C)(C)C[C@H](N)CCCC(C)C	1949020574	JPTIKFIAARXCBO-GFCCVEGCSA-N	249.389	4.602	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@H]1CCC(C)(C)C	1949113192	VXDVVXKOAGKTBZ-STQMWFEESA-N	231.383	4.658	0	10	BJAE	
Oc1cccc(S[C@@H]2CCC3(CCCC3)C2)c1	1949453564	RAHWJPHHFZYPFZ-CQSZACIVSA-N	248.391	4.597	0	10	BJAE	
Cc1ccc(Cl)c(NC2C[C@H]3CCC[C@@H]3C2)c1	1950297223	PZFZOZNHJDRJHU-VXGBXAGGSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC)CCC[C@H](C)CC1	1950925928	XWOPBJUAZCBSMT-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC1(C(=O)c2csc3ccccc23)CCC1	1951241086	WHUVOMIBRATUHY-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](C)C2CC3(CCC3)C2)c1	1968341218	JECWBCCXRKHYGQ-LBPRGKRZSA-N	247.357	4.515	0	10	BJAE	
Cc1cccc(N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)c1F	1969472568	YKQXEHXJBOIVDH-YGSHXTJESA-N	249.373	4.617	0	10	BJAE	
CC[C@H](CN[C@@H](C)c1ccc(C)cc1C)C(C)C	1973384231	IXZXKUZTVBTMCL-JKSUJKDBSA-N	247.426	4.636	0	10	BJAE	
CCCC1(C[C@H](O)CC(C)(C)CC)CCC1	1988466768	MZHLXDHVADOMSC-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)c1ccsc1	1990099155	TZHHSWOSBFVZNZ-JSGCOSHPSA-N	239.428	4.758	0	10	BJAE	
CC(C)CCCCC[C@H]1CC(C)(C)CC1=O	1993757279	CWUKBFKNAAKUCW-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)C[C@](C)(O)C1CCC(C)(C)CC1	1996561593	NVASNVBKDNQHIC-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCC=CCN[C@H](CC)C1CCC(C)(C)CC1	1996595265	ULCWUCKMLGSTBV-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@@H](C)C1CCC1)NCC	1996612954	MLUUGUNKOZOPAN-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCN[C@@H]1CCCC2(CCC2)C1	1997039850	OICMUMMBKPQLEX-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CCCC1CC1)CNC(C)(C)C	2000498698	BXAQVCGOFSLURA-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CNCCC)[C@@H]1CCC1(C)C	2000524484	YXXCBLXLMVAENW-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CC23CCCC3)c(C)s1	2001221974	RUFFZIIYWLCVAV-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CC[C@@H](C(=O)C[C@H]1CC12CCCCC2)C(C)C	2001253860	KJFAKMGDEUQPMW-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@H]1CC12CCCC2	2001254708	KMRCXJXDOQFIHN-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C[C@H]1CC12CCCC2	2001266719	WTCDPJWKLPXOIE-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002199325	IHFHLTXTNVYAJZ-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CO)CCCCC12CCC2	2005579414	JDMVKJMEUYKVPC-ZBFHGGJFSA-N	238.415	4.536	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](NCC)C[C@H](CC)C1	2006630311	IFQXTMRKVOMGCP-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCCN(C)C1CCC(C)(CC)CC1	2009574583	UKGHDXAJKVNLKE-FNORWQNLSA-N	237.431	4.633	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)C[C@@H](C)CC)C1	2009718037	RWJVSMYOKAHXMA-FXQLRMTLSA-N	239.447	4.760	0	10	BJAE	
C=C=CC[C@@H](C[C@@H](C)CC(C)(C)C)NCCC	2009744653	OAOSCQUWNXICQH-CABCVRRESA-N	237.431	4.548	0	10	BJAE	
CCCC[C@@H]1N[C@@H](C)C[C@@H]1C1CCCCCC1	2009768327	CATWWIHPYYLYMK-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CCCCCC1CC(N(C)CCC(C)(C)C)C1	2009777586	NHIJARHCIAWAMY-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC[C@H]1CC=C([C@H](CCC(C)(C)C)NC)CC1	2010711686	CIIRFDXJMCBYGK-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@](C)(N)C1=CC[C@H](CC)CC1	2010729139	LUEXZKWPNOJHJF-HOCLYGCPSA-N	237.431	4.811	0	10	BJAE	
CCN[C@@H](CC1=CC[C@H](CC)CC1)C(C)(C)C	2010770295	XNPQUGXHXKMBKT-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC[C@](N)(CCCCCC1CC1)CCC(C)C	2013267076	NNZMETHTQFPPOX-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCCC1CC(CN[C@H](CC)CCC(C)C)C1	2013267116	NUWXROIZBSWRQE-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CNc1c(C)cc(C)cc1C)C(C)C	2016105978	JTJACPQPCARXNC-HNNXBMFYSA-N	233.399	4.706	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1(C)CCCCC1	2016149539	KMWSTFIFKPPTNL-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)CNC1(C(C)(C)C)CCC1	2017102583	KRHPFJATTFIVAB-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C1(C(C)(C)C)CCC1	2017138119	GLHQSSQWDWPUTJ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1(C(C)C)CCC1)C(C)(C)C	2017141371	OQSVLVVGLOGDLX-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C1CCC(N)(C(C)=C(C)C)CC1	2017473396	SITIWQJOLFPAFS-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CCCNC[C@@H](CC)CC1CCC(CC)CC1	2017724781	OGZCHYPRVSZILC-PCKAHOCUSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CC[C@H](C)CC1)NCC	2017729615	YIVJNSYYMLCSDB-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)NCCC1CC(C)(C)C1	2018133097	AAOMYBMOGLYYHX-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)C(C)(CC)CC	2018991766	XMHHWZDMYXMGKN-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N[C@@H]2C=CCCCC2)c(C)cc1Cl	2019511177	VJGUNQRJUGIGOE-CYBMUJFWSA-N	249.785	4.868	0	10	BJAE	
CCSc1ccccc1N[C@H]1CCC2(CC2)C1	2021788055	NOMYWGHXUOQHEX-LBPRGKRZSA-N	247.407	4.543	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H]1C[C@@H]1CCC	2022392098	XQYRPXWVJUUILH-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1Cn1ccc2ccc(Cl)cc21	2022548572	ZBMSBGZEGUPHAC-TZMCWYRMSA-N	247.769	4.587	0	10	BJAE	
C/C=C/CCC[C@H]1CC(C)(C)C[C@@H]1NCCC	2023607656	BDWZWYBJXHDAKC-CJKAQPIMSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CC1CC(CC)C1	2025426324	HMHAZKGXSDSXGH-WLYUNCDWSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@H]1C[C@H]2CC[C@H]1C2	2026081579	LQVKTQHKTCENRM-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@]12CCCC[C@H]1C2	2027314371	PGHHVLMIRPOOFQ-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@@H]1[C@H]2CCC[C@H]21	2032826537	XZHHWHBIUUFUSL-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)c1cccc(C)c1	2035400169	LYRVFEZAEWHRHW-BFYDXBDKSA-N	245.410	4.614	0	10	BJAE	
Fc1c(C[C@H]2C=CCCC2)ccc2ccccc12	2035556639	RCYFAEFIVDZLHL-ZDUSSCGKSA-N	240.321	4.878	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CCC[C@H]1C	2035576000	LZUFXCRVBKEGEN-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)([C@H]1CC1(C)C)[C@@H]1CCC2(CCCC2)C1	2037587951	UGHZOVYAHYQRJC-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H]([C@]2(CNC(C)(C)C)C=CCCC2)C1	2037685080	DMHIMTJWHMRDRW-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@]1(CC2CC3(CCC3)C2)CCCCCN1	2038077629	ATXGUYHNKGYMIE-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CN[C@H](CC[C@H]1C=CCCC1)CC1CCCCC1	2038164262	GAPBNWZBQATBRC-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H]2CCC3(CC3)C2)CC1	2038579965	RMTPJIFUZBOQPJ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)C1=CCCCCCC1	2039439777	AEMNEZJVIQWIJZ-XIRDDKMYSA-N	247.426	4.587	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C1(CC)CCC1	2039719758	KWWMGODNQPZZBE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1cccc(CC(C)C)c1	2040724125	RZVIRFMEALGKQM-MRXNPFEDSA-N	247.426	4.711	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)c1cc(C)c(C)o1	2042743632	YJWZPXOMMQHKRP-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H](C)CC1CCCC1	2043188185	ROIYQIRSWQETKD-GJZGRUSLSA-N	249.442	4.824	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(C[C@H]2CCC=CCCC2)C1	2045318280	TYSROJBEJKHXRG-IKGGRYGDSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC[C@@]3(C)CCC[C@H]23)C1	2045528976	HLBSKTUCCABOMV-YQQAZPJKSA-N	249.442	4.610	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1ccc([C@@H]2C[C@@H]2C)o1	2045562778	YWWUXJHIAULWHL-RWMBFGLXSA-N	248.366	4.658	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@H]1CC(C)=C[C@@H](C)C1	2045758857	RKAGYFZYDJHPRJ-KBRIMQKVSA-N	249.442	4.537	0	10	BJAE	
CCC1([C@H](C[C@@H]2CC23CCCCC3)NC)CCC1	2047014080	ZLHHZJCTGGQPJM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H]1CCCCN1)C[C@@H]1CC12CCCCC2	2047020499	QATJRXYUHOYBLE-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCCCN1C[C@@H]1CC12CCCCC2	2047028415	YHWWOGXHNXYADM-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@H]2CC23CCCC3)C1	2047060172	VQRUXQHUCKQICC-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CN[C@H]2CC23CCCCC3)CC1	2049351846	JUTCILIRTGXGGQ-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC[C@H]1CCC2(CC2)C1)CC1CCCC1	2049852389	HGWUNDIXCOZWPX-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@@H]2CCCC3(CC3)C2)C1	2049952655	YWRDQWJXXZTAJR-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CC(=O)c1ccc(C)cc1	2050466087	XECRXVHXNSSYOB-ZBFHGGJFSA-N	244.378	4.784	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1CC[C@H]2C[C@H]2CC1	2051398450	AKBMPGXFXFKFMP-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(Nc2cc(C)cc(F)c2)CC1	2051588459	HAKPUGQSXNNKHQ-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CC(C)(C)C[C@@]1(CNC2CC2)CCCCC12CC2	2053353685	CMKUINJUBHYTAZ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1CN[C@H]1C=CCCCCC1	2053383813	NAUZSIBUKHLCNQ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
NC[C@]1(CCC2=CCCCC2)CCCCC12CC2	2053417457	CLQWVZQVWGWTBK-QGZVFWFLSA-N	247.426	4.566	0	10	BJAE	
C[C@H](CC1CCCCC1)Nc1ccc(CF)cc1	2055669769	OUKBRIZXKMYVSJ-CYBMUJFWSA-N	249.373	4.927	0	10	BJAE	
CCN(CC1CC(C(C)C)C1)c1ccccc1C	2056756612	KSLFGHITLQNGLV-UHFFFAOYSA-N	245.410	4.504	0	10	BJAE	
O=C(CC1CCC=CCC1)C[C@@H]1CCC[C@H]2C[C@H]12	2057354109	NPDFXRRHXJEFSG-YQQAZPJKSA-N	246.394	4.518	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C1=CC[C@@H](C)CC1	2060920021	BAKMTXMXTFRMDP-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@]1(C2=CCC(C)(C)CC2)CCCCCN1	2061087172	DGDWUUBCEOICKH-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@]1(CNC(C)C)CCC[C@@H](CC)C1	2061562866	JFUOZKXCPCLQFY-SJORKVTESA-N	249.442	4.692	0	10	BJAE	
C[C@H](CC(=O)C1CC(=C2CCC2)C1)CC(C)(C)C	2061730165	FPKYTIPASXXSPG-GFCCVEGCSA-N	248.410	4.908	0	10	BJAE	
CC(C)(CNC12CCCC1CCC2)C1CCCC1	2063908791	KEZAROJINGOXSI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CC23CCC(CC2)C3)C1	2065338508	SVRMSNAAXCXTML-ZGRYLRDCSA-N	249.442	4.502	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C1(CC2CCC2)CC1	2069566206	IIPMIJINFINLQD-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC(N2CCC23CCCCCC3)C[C@@H](C)C1	2070392943	ODTGSNKWHBMXCU-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC[C@H]1C1CCC1	2071788838	VLPFBXCRETWIMP-RDJZCZTQSA-N	243.394	4.630	0	10	BJAE	
CC(C)C1(C[C@@]2(CN)CCCC23CCC3)CCC1	2071942552	FRNQOZNPLLLEMT-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
CCC1CCC(C[C@H](N)C2CC3(CCC3)C2)CC1	2072795196	BLVSTPURDNHSSU-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)C2CC3(CCCC3)C2)CC1	2072795967	JYPODPXQEAWBQR-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](NC)c2ccccc2)CC1	2072800225	BOLAJJSXFVZUGN-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@]23CCCC[C@@H]2CCC3)CC1	2072807952	BBOCXMJQTDHLMH-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CC2=C[C@H](N)CC(C)(C)C2)CC1	2072808192	DJNCOOHBSWNEES-DZKIICNBSA-N	249.442	4.667	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC1CC2(C1)CC1(CCC1)C2	2072827851	QIHSJNBKLLKJGP-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCCCC23CCC3)CC1	2074570207	AIPXUEJXQSQFJW-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CC1(CN[C@@H]2C=CCCCC2)CCCCCCC1	2075361600	ZUOMDVLUEVUJPF-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
N[C@H](CCC1CC1)C[C@H]1C[C@@H]1C1CCCCCC1	2079644637	MLCJHJUUDFLEFM-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN[C@@H]1CCCC2(CCCC2)C1	2079651387	QAOCVVORXWMWHK-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C)C(C)=C[C@@H]1C[C@@H]1C1CCCCCC1	2079700469	JPLZSVQYFKGYFD-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2C[C@@H]2C2CCCC2)CC1	2079867809	VSKFXFNEQCDDBZ-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
Cc1ccnc(-c2cc(Cl)cs2)c1C1CC1	2080277943	QBHXQLZBDIOOAM-UHFFFAOYSA-N	249.766	4.649	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)[C@@H]2C=CCCCCC2)[C@@H]1C	2081138382	VOYBBAAYVWATGU-VQHPVUNQSA-N	249.442	4.632	0	10	BJAE	
C[C@@H](CC(=O)C1C2(CCC2)C12CCC2)C(C)(C)C	2083563310	ZTEXWNSADIAEFS-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1cccc(C)c1C	2086053781	NKOKWPPCZCOVEP-CXAGYDPISA-N	247.426	4.910	0	10	BJAE	
CCC[C@@H](N[C@H]1C[C@H]2CCC[C@H]1C2)C1CCCC1	2086212829	VVDLGHWBEHYXMJ-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
Nc1ccc(C=Cc2cccc3ccccc23)cc1	2092532598	VGVOEBVZADFNAQ-UHFFFAOYSA-N	245.325	4.592	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@@H](N)CCCCCCC1CC1	2213578585	NVOMNUVKELOVNA-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CCCCCCC1CC1	2213582676	KILBMJBRPHUIHU-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CC1(C)CC(C)(C)C1	2215394049	PUNNRYJHLHPZLK-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@]1(C)CC=C(C)CC1	2215815535	LGWCRHJWKVXKQW-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CCCC=CCN[C@H]1CCC[C@H](C(C)(C)C)C1	2216252212	ISIJLSKCEKHAMU-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)NC[C@H](C)C[C@H]1CC[C@H](CC)CC1	2217159294	MDAFDGZWKKACPR-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
O=C(CCC1C[C@H]2CCC[C@H](C1)C2)C1CCCC1	2218330202	FQKWONZFUTWESY-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C1C[C@H]2CCC[C@H](C1)C2	2218334904	OIRMNDKEAPFOKE-ORIJERBGSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)C1[C@H]2CCCC[C@H]12	2218725110	LGYWUUZSLROZRX-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C/C=C/c1ccccc1	2219084000	GDBBYYXGVXXKSD-BMGYJQCNSA-N	244.378	4.731	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CC[C@H](C)C[C@H]2C)CC1	2221645402	XUADPHWPYNBNOW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)[C@H](C)C1CCCCC1	2221929312	WULYBQFMVIWEGH-RHSMWYFYSA-N	245.410	4.520	0	10	BJAE	
c1cc2cc(CC3CC(=C4CCC4)C3)ccc2o1	2224132838	ZAAVMJASBTUJMI-UHFFFAOYSA-N	238.330	4.866	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)c1cccc2ccoc12	2224176422	NFJBJQKHBVUIKH-WFASDCNBSA-N	245.366	4.520	0	10	BJAE	
CC1(c2cccc(CC=Cc3ccccc3)c2)CC1	2226206479	IPAZOTDYUFOUPT-UHFFFAOYSA-N	248.369	4.994	0	10	BJAE	
CCCN(CC)CC[C@H](C)CCCC(C)C	2244868552	POYUWZLZOKXXRB-OAHLLOKOSA-N	227.436	4.571	0	10	BJAE	
CCCC1CCC(N)(CC2(C)CC(C)C2)CC1	2246524333	LPLIBALFITXDIJ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCC[C@@H]1CCC[C@H](C)C1)CC(C)C	2246657870	VYBGHFGRPPSQKA-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CCSc2ccccc2N)C1	2246724783	FHEATDXCCHPMNP-CHWSQXEVSA-N	249.423	4.577	0	10	BJAE	
CCC1(C)CC(C(=O)CCCC[C@H]2C[C@@H]2C)C1	2247162404	BZVBGFNOBAHELK-ILGZHXLLSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@@H]1C)C(C)(C)CC	2247177480	WSPRIXRFCYFTSX-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](CO)C(C)(C)C	2250517163	BDCDKGPCQHWDQZ-CABCVRRESA-N	242.447	4.884	0	10	BJAE	
CC1=CC[C@](N)(CC[C@H]2CCCCC23CC3)CC1	2253815904	FQSYYGKTVGFDEA-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C[C@@H]1CCCCC12CC2	2253832776	OBDVLALZYVJREP-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C2CC(C3CC3)C2)C1	2253912016	AECVZXBTSNFPNF-KCNJBTMXSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C1CC2(CCCC2)C1	2254575435	DXKRGJMYGWGQGP-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1CCCCC12CC2	2254613277	ZQOZWOVZIVJCNW-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CN(C[C@@H]1CCC12CCC2)C1CCCCCCC1	2254919330	STKAQVHLDORRJQ-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC(=CC[C@H]1CCCC12CC2)c1ccc(N)cc1	2255256764	RMYORSVRRYPIQS-OAHLLOKOSA-N	241.378	4.643	0	10	BJAE	
CCC[C@@](N)(CC[C@@H]1CCCC12CC2)C1CCC1	2255333579	STRRTDCCINSNNY-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C)c(OCCCCC[C@H]2C[C@@H]2C)c1	2257250516	ZSFMYNTVTXZTEE-HOTGVXAUSA-N	246.394	4.899	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)[C@@H]1CCC12CCC2	2257254142	FPHOOLCAFFNAKB-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccc(NC2CCC=CCC2)cc1	2257926097	ODAMFVFSHOFZMY-UHFFFAOYSA-N	243.394	4.895	0	10	BJAE	
Cc1cc(NC2CC(C(C)(C)C)C2)cc(C)c1C	2258233198	KTIPNBWIBPKPOA-UHFFFAOYSA-N	245.410	4.848	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cc2cccc(C)c2o1	2259445906	XODHKFTXFJOVLY-WFASDCNBSA-N	246.350	4.601	0	10	BJAE	
CCC1CCC([C@H](N)C[C@]23CCC[C@@H]2CC3)CC1	2260599239	DMGXAKRFJRSOPS-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1CCNc2ccc(F)cc21	2261339484	QPXXXVXAEHDYGM-LBPRGKRZSA-N	249.373	4.797	0	10	BJAE	
CCC(CC)CCC1(O)CC(C)(C)C(C)(C)C1	2300674006	OZUYKPOXPNXVAS-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@]12CCCC[C@@H]1CC2	2300677024	VQJFFCPZXRXTCK-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](O)C[C@H]1CCC12CCC2	2300679199	QTRTVDWGTWRJIH-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@]1(CNC(C)C)C=CCC1	2300697926	USISJYZBJSFAPQ-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@@]1(N)CCC1(C)C)CCCC(C)C	2300888857	RKPGFTADTYDCHJ-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCCC(F)(F)CC1	2300928082	BIEMFSYWNJMIRA-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
CCCN[C@@H](CC1CCCCCC1)C1(C)CC1	2301141593	AVQJHCIMXHTYOD-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1CC(C)(CC(=O)CCC2=CCCCC2)C1	2301929784	ZUHXWVRAALSFBD-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)C[C@H]1CCC(C)(C)C1	2302752397	DARSUUNZJASACH-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CC[C@@H](C[C@](C)(O)C2(C)CCCC2)C1	2302898724	IXYWQLCXWHRWAX-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](C[C@@](C)(O)C2(C)CCCC2)C1	2302898726	IXYWQLCXWHRWAX-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H](C)C2CCC2)CC1	2303597188	NSRVZNZEFYBHJT-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H]1CCC[C@@H](C)[C@@H]1C	2307752452	RPOAVNSVJCAVDY-FXUDXRNXSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](CC)CN(C)c1ccc(C)cc1C	2307761667	VCFKKKHXRWJHAU-OAHLLOKOSA-N	233.399	4.566	0	10	BJAE	
CCCCC1CC(N(C)C[C@@H](CC)CCC)C1	2307901773	ZJRFIXIJCVJHFL-FHERZECASA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)CC1CC2(CCC2)C1	2307911419	VLRCQBZKICXWJY-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC[C@@]23CCC[C@@H]2C3)CC1	2310379701	FOKWSHGLFQBLRG-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C[C@@H]1CC[C@@H]2C[C@H]12	2312333501	NSXMSBDIXCHAQI-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(C/C=C/c2ccccc2)ccc1C	2314654520	OAZPHCDCNWXSAQ-JXMROGBWSA-N	236.358	4.813	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317121398	LDAPSIZPKBANBB-QKPAOTATSA-N	248.410	4.764	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC(C)(C)[C@H]2C)cc1	2318176296	OBANKGFZEPAHBD-XJKSGUPXSA-N	245.410	4.876	0	10	BJAE	
Cc1c(F)ccc([C@H](C)Nc2ccccc2)c1C	2318465093	IVTSOFZOXXYQRZ-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)C1CC2(CCC2)C1	2318560397	HJJLQYZULZCZRE-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
FCOc1cccc(CCCC2=CCCCC2)c1	2318566815	AWBMYRXHDBORLY-UHFFFAOYSA-N	248.341	4.816	0	10	BJAE	
CCC[C@](N)(CC[C@H]1CC[C@@H]1C1CC1)C1CCC1	2319737696	MRMPXGIKLPNDLQ-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1cccc(C(C)C)c1	2320517370	QDTDKKJMFQCWIL-QGZVFWFLSA-N	245.410	4.946	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2C=CCCC2)c1F	2327777059	RETHNIUPYKUVOQ-CYBMUJFWSA-N	247.357	4.717	0	10	BJAE	
CC(C)C[C@H](C)Nc1cc(Cl)ccc1Cl	20002627	OBAAXNOJGJTGAQ-VIFPVBQESA-N	246.181	4.840	0	10	BJAE	
CCc1cccc(N[C@H]2C[C@H](C)CC(C)(C)C2)c1	21519856	FSXNHVJPSDVGQZ-BBRMVZONSA-N	245.410	4.876	0	10	BJAE	
CCN[C@H](CCC(C)C)c1c(C)cc(C)cc1C	35547775	DJWCVWGSGDQVRR-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CCCC[C@@H](NCCC)c1cc(C)sc1C	35583264	JBFYYUATYNOTOT-CQSZACIVSA-N	239.428	4.596	0	10	BJAE	
CCCc1ccccc1N[C@H](C)c1ccc(C)o1	36974700	NVYXHIKGDVJJAD-CYBMUJFWSA-N	243.350	4.714	0	10	BJAE	
Fc1ccccc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	37211251	QMOVQJSKHCYCHF-BFHYXJOUSA-N	247.357	4.597	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H](C)c1cccc(C)c1	37219488	BQQRAKKCBGZWQV-HZPDHXFCSA-N	247.426	4.862	0	10	BJAE	
CCN[C@@H](c1cc(CC)ccc1CC)C(C)(C)C	70989769	JZOPVFYDJPDPNB-INIZCTEOSA-N	247.426	4.508	0	10	BJAE	
CC[C@H]1CCC[C@@](O)([C@H]2CCC[C@@H](CC)C2)C1	71154147	LOBUMBXDPNEIPR-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)c1nc2c(C)cccc2[nH]1	80059654	VMEOVDSNTYGYRB-GFCCVEGCSA-N	230.355	4.555	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Oc1ccc(Cl)cc1	85150173	OFIRNDYBXYHSBH-FZMZJTMJSA-N	238.758	4.688	0	10	BJAE	
C[C@H](Nc1ccsc1)c1ccc(Cl)s1	85528435	XCRCBHULPBIKMM-ZETCQYMHSA-N	243.784	4.636	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(c2ccccc2C)CC1	86939537	JORVFGPXWGISFZ-WBVHZDCISA-N	245.410	4.529	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1CC[C@H](CC)C1	88018689	LXBRCYNTJBMPHS-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCCC[C@@H]2C)C1	88510618	QXVUSUJODITSLZ-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CSc1ccc(NCC2CCCCCC2)cc1	89556912	HUOJLVRGMIYADE-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CC[C@H]1CCC[C@H](Sc2cccc(N)c2C)C1	91941373	IRHSBRYIHIXUAC-STQMWFEESA-N	249.423	4.638	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2cc(C)cc(F)c2)C1	93979102	KUKYMUNTHDKRNG-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@@H](NCCCC(C)C)c1ccccc1	109920828	CANDBKWRIWVWRC-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
CC(C)c1ccccc1Oc1ccnc(Cl)c1	111465356	SMSDUPFMLZXKSL-UHFFFAOYSA-N	247.725	4.651	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC1=CCCCC1	161035118	GSEVHYIYUFASKY-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
CC(C)CCC(=O)c1ccccc1C(C)(C)C	164739126	GXOGYXWBXTWUQF-UHFFFAOYSA-N	232.367	4.603	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CCC1CCCC1	165797062	QZARAAIVADQLHJ-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCCCCC(=O)C(C)C	202065167	HXVRYSFDMWGZBE-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CC(=O)c1ccccc1C1CCC(C)(C)CC1	216514141	BXXDRUDHYBMPCX-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCCCCC(=O)c1cccc(C(C)C)c1	220663037	AEKVVJZHUWBAIR-UHFFFAOYSA-N	232.367	4.963	0	10	BJAE	
CC(F)(F)C1(c2ccc(F)cc2)CCCCC1	220796155	FNJTZUJLMGMSPQ-UHFFFAOYSA-N	242.284	4.683	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CC[C@@H](CC)[C@@H]1C	225227482	SZTUBEPDOWCGGH-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1CC1)c1cc(C)cc(C)c1	229551700	MONOBZURWGIPAK-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCC[C@H](C)[C@@H](N)C1CCC(C(C)(C)C)CC1	233348462	PZNDISFPUORXMG-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
CNc1cccc(Nc2ccc(C(C)C)cc2)c1	259297290	PKQAIHVGISPEMY-UHFFFAOYSA-N	240.350	4.595	0	10	BJAE	
Cc1ccc(Cl)c(C)c1C1(C#N)CCCCC1	260575330	LQWQTPKDVVSJPQ-UHFFFAOYSA-N	247.769	4.682	0	10	BJAE	
CC(C)(C)CCCC1(N)CCC(C)(C)CC1	300784085	BPNDODPXQMEURT-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCC2CCCC2)CC1	302242642	GFFKUVSDBCNLOH-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)c1ccc(C)c(C)c1	302312173	GAWBLLGTRKWFFT-PBHICJAKSA-N	247.426	4.780	0	10	BJAE	
O[C@H](CCC1CCCCC1)CC1=CCCCC1	305895897	HYXREVFKFDEQHR-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCc1cc(NC[C@@H]2CCC[C@H](C)C2)ccc1C	306003917	LGLGKVQKVKMMNF-DZGCQCFKSA-N	245.410	4.796	0	10	BJAE	
CCc1cc2c(Cl)ccc(SC)c2s1	307665393	BASBFGVLJQRRGF-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@@H](CC)CC(C)C	308101438	RRKSGIITMSOEIT-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1ccsc1Cl	308351352	DOVPNDUNINPVGP-MWLCHTKSSA-N	246.803	4.651	0	10	BJAE	
CCC[C@@H](O)CCCC1CCC(C)(C)CC1	309415635	GUONKECKFCPPHA-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC(C)C1CCC(CNc2ccsc2)CC1	309432252	GAUILYNZMSDKTH-UHFFFAOYSA-N	237.412	4.622	0	10	BJAE	
CCC[C@H](CC)N[C@H](CC)c1cccc(C)c1	310216659	LRPOOCXAWXKMHX-JKSUJKDBSA-N	233.399	4.614	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC1(C)CCCC1)C(C)C	310305779	VITKNQJDADQFBG-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(NC[C@@H](C)C(C)(C)C)cc1	310317365	XUBVUQASEFCAKQ-CYBMUJFWSA-N	233.399	4.904	0	10	BJAE	
C[C@H]1CCc2cc(CC3(C)CCCC3)ccc2N1	311183303	ZVBXAUXONVCFDY-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](CCC)C1CCCC1	313450080	PSTHBIAHBNWQIS-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CC1(CNC2CC2)CCC(C(C)C)CC1	317713804	ITMZGOFNZWTKRO-SNAWJCMRSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1([C@H](C)[C@H](C)CC)CCCCC1	319525744	DTLIIUUOAWCQSL-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H]1CCCC12CCCC2	327996168	MQHXZYIEVPLSHX-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H]([C@H]2C=CCCCCC2)C1	380738281	KEUDYEAISOGOLA-ARFHVFGLSA-N	248.410	4.764	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)c1ccco1	383206397	BACFPCIPJYLWSM-AWEZNQCLSA-N	237.387	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(C)(C)CNC(C)(C)C)C1	383506645	KKIRMHRAMBFMPE-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCC(C)(C)CC(C)C	391262872	VJQUJIBMZMHBHE-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC23CCC3)c1Cl	394764543	PAYQBQMWOUOHOI-CYBMUJFWSA-N	249.785	4.783	0	10	BJAE	
CCOc1cc2scc(C)c2cc1C(F)F	396236657	HVXXUFFCSQXLBH-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C1CCC1)C[C@H](C)CC	398693208	HISNDNGIPKMQIA-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)CC1CCCCCC1)C1CCC1	398820573	NFJVKUZWLXMHIT-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C1CC1)CC(C)C	405791349	GMRYHIPTPVSMOO-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](N)CC(C)(C)c1ccccc1	686729692	OHEMBZKRRYTPPE-MRXNPFEDSA-N	247.426	4.652	0	10	BJAE	
CCC1([C@@H](O)c2ccccc2C2CCC2)CCC1	687580464	MDWKUIYTXMZJFV-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCC1CCC([C@H](O)CCCC2CCC2)CC1	688351634	CXYUAXKYDQLUEC-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](N)c1cccc(C(C)C)c1	688897750	FFJZYBXAYJKPCH-MRXNPFEDSA-N	233.399	4.780	0	10	BJAE	
CCc1ccc(CC)c(NC[C@H](C)C(C)(C)C)c1	689620730	OWPVDOMFYAOWPT-ZDUSSCGKSA-N	247.426	4.906	0	10	BJAE	
Cc1cccc(-c2ccc(C(C)(C)C)cc2)c1N	690419373	GOPCTVZTQCIEIN-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CC1CC(CCCC(C)(C)C)(CNC(C)C)C1	691405890	DOTNLMLEUYECBO-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCC[C@H]2C[C@H]21	691669198	PDTOHRYDTBZOJU-RRFJBIMHSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@]12CCC[C@@H]1C2	693146465	STVJXCOAIVBKBI-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](c1ccccc1)C1CC1	695097972	JPIRGUUWLQLTEV-CZUORRHYSA-N	245.410	4.552	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1cc(C)cc(C)c1	696663163	ZYWASDJLFVNTKJ-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CC(C)CC[C@H](C)NC1C(C)(C)CCC1(C)C	699593105	NKFQTQPTNGGQBN-ZDUSSCGKSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)C(C)(CC)CC	701154022	VCDSIHZPICALAM-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC[C@](C)(CCCC1CCC1)CNCC(C)C	701546051	AUGSYOGOGZNWRS-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)[C@H]1CC2CCC1CC2	704508703	PGTNUUVCCJDBSD-MHVXSEJMSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@](N)(CCC(C)C)C1CC1	704829540	WJZYEMGCDLQVMV-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC1(C)CCCC1	704959651	VSWJJONXCHQZTK-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)c1ccc(C2CCC2)cc1	708265262	QEBPFKAQKOCNAZ-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(O)CC[C@@H](C)[C@H](C)C1	709263067	VRYQZOCNAGJNOE-IXYNUQLISA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H](C)CC(C)(C)C)C1	709271615	JUUXBFVWSHFZJX-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(N[C@H]2C[C@H](C)c3ccccc32)cs1	710706459	VTYDPXGHIDWLOM-BONVTDFDSA-N	243.375	4.717	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2csc(C)c2)c(C)c1	710711333	PNPJSTWBJOLQCC-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
C[C@H](C[C@@H](O)c1ccccc1C1CC1)C(C)(C)C	710787224	NNZDENZCWJKDEZ-MLGOLLRUSA-N	246.394	4.670	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C[C@H]2CC[C@H](C2)C1	711037550	ZQOQSVPWTFXIHU-MUJYYYPQSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)CC[C@H]2C)c(C)c1	713056582	FPKFSGIOUPMIPH-CZUORRHYSA-N	245.410	4.930	0	10	BJAE	
CC/C=C/C[C@@H](C)c1ccc(C)cc1F	714522079	MZFDKAANCPRRGX-BTDICHCPSA-N	206.304	4.594	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](CCC(C)=C(C)C)C1	718522271	YWUIDCIBWHMMSO-OAGGEKHMSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCC(C)=C(C)C	718706408	BARXKVLWXBXZOH-CQSZACIVSA-N	224.388	4.908	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C(C)(CC)CC	721690995	IACZZGVKOMPAQA-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CSc1ccccc1-c1ccc(Cl)cc1	722386887	ZDNLAMUUTKHVRO-UHFFFAOYSA-N	234.751	4.729	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@@H](C1CCCC1)C1CC1	723958787	CQVYIIHTCANELX-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
Nc1cc(Cl)c(C2=CCCCC2)c(Cl)c1	757564462	BBWBQRMGJATDHI-UHFFFAOYSA-N	242.149	4.533	0	10	BJAE	
CCCC[C@@H](CC)CN(C(C)C)C1CCCC1	1459661406	GKBXAVVLQJVKKT-OAHLLOKOSA-N	239.447	4.856	0	10	BJAE	
C[C@H]1CCC[C@@H](Sc2cc(F)ccc2F)C1	1652534407	CXMJFNPUZBDYHE-GXSJLCMTSA-N	242.334	4.636	0	10	BJAE	
CCCCCCN1CCC(C)(C)CC(C)(C)C1	1655023193	BMMHLVSXVWNLTQ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCC1(C2CCC2)CC1	1875411867	CKJFVWOWMBTHNT-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(-c2sc(C)c(C)c2C)cs1	1889517817	HALHVPAECNCFGO-UHFFFAOYSA-N	222.378	4.710	0	10	BJAE	
CCCc1ccc([C@H](N)[C@@H](CC)CCC)s1	1900669477	LSLLFNUVBQUGEF-SMDDNHRTSA-N	239.428	4.527	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CC1CCCCCC1	1901062024	YOBWVLRMEMLVNQ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(-c2ccccc2OC(C)C)cs1	1901896057	QLMAFDJGUFJXKW-UHFFFAOYSA-N	232.348	4.511	0	10	BJAE	
Fc1ccccc1CCCC1=CCCCC1	1901956764	RUXBPUXMFRHSPO-UHFFFAOYSA-N	218.315	4.649	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C)CCNC(C)(C)C	1905365433	HOVHXADZAHRMSV-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(O)CCCCC1(C)C	1905390795	OYSACMMBQRRWOY-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CCC[C@@H]1C[C@@H]1C	1908577870	NBQMWWDUBQGUFO-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCCC(=O)C1CC(C)(C)CC(C)(C)C1	1911905488	JGBJBRDBWSMFOX-UHFFFAOYSA-N	248.410	4.930	0	10	BJAE	
C=CC=CCCCc1ccc(C(F)(F)F)cc1	1912096107	VRWHCASFHZLQMO-UHFFFAOYSA-N	240.268	4.770	0	10	BJAE	
CC(C)[C@@](C)(CNC(C)(C)C)C1CCCCC1	1912215959	DYRKRVGUNZSQRT-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@H](N)C2CC3(CCCCC3)C2)CCCC1	1912643814	CCLLXVRWVOBHRP-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
C1CCC(CN[C@H]2CCC3(CCCCC3)C2)CC1	1915867566	KLHKFGJVJNRGBF-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](C)C[C@@H]1NC	1916044914	QTNQDVCFAVXXHP-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(N[C@@H]2CCC3(CCCC3)C2)CC1	1916439531	AGBRINORXQDGNN-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CCC1CCC([C@H](N)[C@H]2CCCC23CCC3)CC1	1921586340	NBNYCLFFUUNRPQ-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)NC[C@H]1CCCC12CCC2	1921592858	QOHOFKRRZDEJDS-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC(=O)c1ccc(C2CC2)s1	1926177814	RGXBRHHCGYINQW-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CCC[C@@H](NCCC(CC)CC)[C@@H]1CC1(C)C	1926181388	ASFUOTOEYYPWHH-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CCC(C)=C(C)C	1936194608	CSUDOIOKILPCLE-GJZGRUSLSA-N	226.404	4.556	0	10	BJAE	
CC[C@H]1CCC[C@H](C=C(C)CNC(C)(C)C)C1	1940182676	ZWQXKHPEFMXKBJ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CCC[C@@H]1CC1(C)C	1940881058	KQBMJSHRZHEZIM-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CC(C)SC[C@H](C)Nc1cccc(C2CC2)c1	1941167089	UZQQRQKHEDKTEU-LBPRGKRZSA-N	249.423	4.506	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@@H](CC(C)C)C(C)C	1941266630	HZGKJGLXQUTKKX-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
C[C@H](C[C@H](N)C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944846828	SHRGKGIICWKFLT-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CC[C@H]2CC[C@H]1C2	1947124720	VHULXLVCBQMXIB-TYNCELHUSA-N	249.785	4.639	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cccc(CC)c1	1947468789	ZSHKNMFXJKOJHH-HOCLYGCPSA-N	231.383	4.630	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C1CC(C)(CC)C1	1948406835	GBJMSSOKIKKLQY-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)c(C)cc1Cl	1948812962	XTFBAOZTCFJCDJ-RWMBFGLXSA-N	249.785	4.557	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)CCC(C)(C)C	1948973054	PHTXRBSQTJYMTQ-CZUORRHYSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CCC1=CCCCC1	1949046929	KKHZNKDTLDLCIP-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
CCC(CC)C[C@H]1c2ccccc2NC[C@@H]1C	1949112190	QLBUYJHWTFNBPD-SWLSCSKDSA-N	231.383	4.658	0	10	BJAE	
CC1(C)C[C@@H]1CCCC[C@H](N)CC1CCCC1	1949869202	JSMJDGUWRZNFSO-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC1CC(C)(CNc2cccc(C(C)C)c2)C1	1950523044	LFGFMEDXTFWGSQ-UHFFFAOYSA-N	231.383	4.658	0	10	BJAE	
CC1(C)CCC[C@@H](CNc2ccccc2)CC1	1950907360	CYMMCRQHTGRZPW-CQSZACIVSA-N	231.383	4.705	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)[C@@H]1CCCC(C)(C)CC1	1950923245	SHRDQNDIRHZXAD-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@H](CC12CCC(CC1)C2)NC	1950961510	PWBFLISDGSDFPV-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)NCc1cccc(C2CC2)c1	1963237020	CTSXNEJGOJFDGG-KRWDZBQOSA-N	245.410	4.622	0	10	BJAE	
c1ccc(-c2ccc(NC3C[C@@H]4C[C@H]4C3)cc2)cc1	1968278071	FKVWFTKDZWJEST-HOTGVXAUSA-N	249.357	4.564	0	10	BJAE	
CCCN(Cc1ccc(C(C)(C)C)cc1)C(C)C	1968698774	MVNMQMMMBXRHLY-UHFFFAOYSA-N	247.426	4.605	0	10	BJAE	
CC[C@H](C)[C@@H](C)CC(=O)c1ccccc1Cl	1980684571	IIHPBBDAXXZIAD-QWRGUYRKSA-N	238.758	4.595	0	10	BJAE	
CC=CCCCC(N)(CC(C)C)CC(C)C	1984596528	VBLLQDRMXYMVFE-UHFFFAOYSA-N	225.420	4.523	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C1CCCCC1	1995262154	KXZWFQNAEFDAIJ-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)Nc1ccccc1SC1CC1	1996547467	FQHVXXGJSDMARU-LBPRGKRZSA-N	249.423	4.932	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)C1CCC(C)CC1	1996611898	GANUVDVNHHSPRR-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H](C)C(C)(C)C)CC1	1997100972	UTNPTTXGNGHGNO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC=CCNC[C@H]1CCC[C@@H](CC)CC1	1997215828	RBWIVUCAIGUEKE-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@]1(C)CC=CCC1	1997546412	LTBNNUOIDPWOFP-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C(CC2(N)CCCCCCCCC2)[C@H]1C	1998584937	MGOPGBFZRBEBEZ-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)C1CC2(CCC2)C1	1998647626	FBNPWCFHBYEFGL-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H](O)[C@H]1CCCC(C)(C)C1)C(C)(C)C	2000025586	WGRCTOUUFRIUKS-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CCCC(C)(C)C	2000294220	PUAWZPDWPCUGEJ-HIFRSBDPSA-N	236.399	4.764	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002219756	IQMZDYDDVOJBPN-ZSHCYNCHSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@](C)(N)[C@@H](C)CCC)CC1	2002924946	MUWMKMLWYHRIGO-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(O)CCCC(C)(C)C)C1	2002999343	SIWVCCCAZRVQDK-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(O)CCCC2CC2)C1	2003021954	RSMGVGJUWAUBSQ-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC(C)(CC1(O)CCCCCCCC1)C(F)F	2003123422	WOANZOZGOIVOLC-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
Cc1ccc([C@@H](N)CCCCC(C)(C)C)cc1	2003627919	NDKDWBAHNDOPHZ-HNNXBMFYSA-N	233.399	4.601	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)C1(C)CCCCCCC1	2004921364	VBYHSFCWMXGYOK-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC23CC3)cc1Cl	2005536480	MXCOECKYSAWVLL-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)C(CC)(CC)CC	2005779194	YYLNFRCCIFXDCT-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCCC[C@@H]1Nc1ccc(CF)cc1	2007030017	ZPJQUFKYJVNJIY-AWEZNQCLSA-N	235.346	4.537	0	10	BJAE	
CCC1CC(CC(=O)C2(C)CCC(C)CC2)C1	2007765236	GJRSOBXPPOAOKQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C/C=C/C[C@@]1(CNC(C)(C)C)CCC[C@@H](C)C1	2008058956	FFLNNIWVNUGWOW-XMAAMQLLSA-N	237.431	4.537	0	10	BJAE	
CCC1(CC)CC(NC[C@H](C)CC(C)(C)C)C1	2009324529	WYQGNIOTVXNGTQ-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1CC(O)(C2CCC(C)CC2)C1	2009715599	HFPZPAQAGOITGG-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)C(CC)CC)C1	2009717650	LXWQOQACZMJLEB-HLIUYOAVSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](C[C@H](N)C1=CC[C@H](C)CC1)C(C)(C)C	2010627100	ZNVHSELEOZRNRP-CFVMTHIKSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](O)C(CC)(CC)CC)CC1	2010711596	BVKQWZPWHPVLFP-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
Cc1cc(C)cc(CC2CC(=C3CCC3)C2)c1	2011087744	RJGDYDGIVNYIKC-UHFFFAOYSA-N	226.363	4.736	0	10	BJAE	
Cc1c([C@@H](O)[C@H](C)C(C)C)sc2ccccc12	2014291157	GMRCTBKQVBJXBN-YGRLFVJLSA-N	248.391	4.535	0	10	BJAE	
CCCC[C@@H](C)N(C)CCC(C(C)C)C(C)C	2015394515	OYWDNLMUCWVZIB-OAHLLOKOSA-N	241.463	4.815	0	10	BJAE	
CC(C)C(C[C@](C)(N)C1CCCCC1)C(C)C	2015401971	VOMKQCLJMJIELE-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCC[C@@H](C)CC2)CCC1	2017140045	CIWWGFVEDUPFJB-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCCCC(C)C)CC[C@H]1C[C@H]1C	2017242402	LLOVYTZYNFRDOB-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(C)CC[C@H](N)C2)CC1	2017732442	BAYNYEFUFUYUPQ-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCNCCC(C)(C)C[C@H]1CC[C@H](CC)CC1	2017734081	AHFSAJCQQMJGLN-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1CCCC1(F)F	2018132597	ZVPQJHAHLUCPHU-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CC2(CC)CC2)CC1	2018983471	XAMMTKBOPFOFBI-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)CC1(CC)CC1	2018989390	FDFWEDMRLQANRU-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCN([C@H](C)CC)[C@@H]1CCCC[C@H]1CC	2019198868	JJLFHELSCFJLJH-BZUAXINKSA-N	239.447	4.856	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@H](C)CCC(C)C	2019201097	RAYJPVMWPVUQML-OAGGEKHMSA-N	239.447	4.712	0	10	BJAE	
CC[C@@H](C)[C@H](C)N1CCCC12CCCCCC2	2019384017	BNYVUSNHBIPQPT-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CNc1ccc2sccc2c1	2022479994	HJBYOBSHOTUUOA-TZMCWYRMSA-N	245.391	4.605	0	10	BJAE	
CC(F)(F)CCCCC(=O)CC[C@H]1CC1(C)C	2023323719	WLJUJMAXRSOCOZ-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC1CC(CCN[C@H](CC)CCC(C)C)C1	2025378318	QMEPCALDLINMRM-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)Cc1csc(-c2ccc(F)cc2)n1	2026531534	OIZKBROZBYRGJS-JTQLQIEISA-N	249.354	4.538	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CC[C@@H]2CC2(C)C)cc1	2027815819	QJZSKLXMODOPAH-CVEARBPZSA-N	245.410	4.636	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)c1cccc(C2CC2)c1	2028561844	DPDYWOPLSHYCDT-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](c1ccccc1)C(C)C	2029966681	LHUMFTRBNLYQQZ-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
C[C@@H](Nc1ccccc1C1(C)CC1)[C@H]1CC1(C)C	2032245888	NBHIRYSEDHTJQH-TZMCWYRMSA-N	243.394	4.585	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@H](C2CC2)C1	2035403446	JSVFYLFXOIVVOB-QZWWFDLISA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)c1cccc(C)c1	2035422992	LYRVFEZAEWHRHW-BFYDXBDKSA-N	245.410	4.614	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)[C@@H]1CCCC1(C)C	2035594398	UCBLZYIYNYZRCZ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C2(N)C[C@@H]3CCCCC[C@H]3C2)C1	2035856829	AMQHRWIORDXFJU-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)n1NC1CCCCCCCCC1	2035890853	HXQFYXNVHLOIRK-UHFFFAOYSA-N	248.414	4.542	0	10	BJAE	
CC(C)NCC1(CC2CCCCC2)CC2(CC2)C1	2036198514	VNRWFGZIFPYFPV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)c1cccc(C2CC2)c1	2036358528	PYZPYCQCMRYOBD-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]2CCCC[C@]2(C)C1	2036661381	PHNYRNBFAPNXCJ-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(C[C@@H]2CNC3(CCCCC3)C2)CC1	2037721971	USFVWEHGQLEHHC-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@H]1CC[C@@H](C)C1	2040141748	KQKXURFQGCCVEH-ZIAGYGMSSA-N	244.378	4.819	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CCC(C)CC2)c(C)c1	2040634495	ZCZADKKXYCPCFV-NRAUKZCXSA-N	245.410	4.930	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)[C@@H]1CC=CCC1	2042025537	WADBVCAMCCWUFK-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)C1CC(C2CC2)C1	2045313807	CPSHPAODXPHJMA-JEYLPNPQSA-N	246.394	4.518	0	10	BJAE	
CCC1([C@@H](C[C@H]2CCC=CCCC2)NC)CCC1	2045319778	HDBVLZSQBYFKOP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C23CCC(CC2)C3)C1	2045392453	UZWFSQOHPJNFEL-BYLPVYNFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CC=CCC2)cc1C	2045557258	MIEMFZRFTXTRGT-OAHLLOKOSA-N	242.362	4.541	0	10	BJAE	
CCCC1([C@@H](CCC2=CCCCC2)NC)CCC1	2045719988	YLSKMYAQZWRAAH-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](C=C(C)C)c1ccc(CC(C)C)cc1	2045809296	VYTPEVRZLQVWBA-KRWDZBQOSA-N	245.410	4.502	0	10	BJAE	
CCCc1ccccc1OC[C@@H]1CC12CCCC2	2047055724	NFLDSDSRWSYJTB-HNNXBMFYSA-N	244.378	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2049191643	MEXQHIUAJXQNGI-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)C[C@@H]1CCCC2(CC2)C1	2049850549	YQUVWHHKSQEWGW-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCCC1CCCC1)c1ccco1	2050526426	YAVXBVZUZLCQAO-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
CC(C)[C@@H](N[C@H](C)C1(C)CCC1)c1ccccc1	2052348567	LDUMPWBKGCSMLJ-GDBMZVCRSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H](N[C@H](CC)[C@H]1CC1(C)C)c1ccccc1	2053264951	LPNRFKCLMFZEFL-BZUAXINKSA-N	245.410	4.552	0	10	BJAE	
CC1=C(C)[C@@](N)(C[C@H]2CCC=CCCC2)CCC1	2055599613	OMZCJVDUIHUEEK-IRXDYDNUSA-N	247.426	4.731	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@H]1CCC(C)(C)C1	2056879320	RWNATEFYTMWTCM-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1C[C@@H]2CCCC[C@@H]21	2059225640	PDQYPILKUBWQFQ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2[C@H]3CCCC[C@H]32)C1	2059492319	NXIUFLLYDFVBJV-JSGMBBGDSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(Cl)cc(C(F)F)c1SC	2060053878	KHAZAEHYOVTDRD-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CC1=C[C@](O)(C2=CC[C@H](C(C)(C)C)CC2)CCC1	2061100149	UYGSPWSGDYJVSG-YOEHRIQHSA-N	248.410	4.620	0	10	BJAE	
CCCC1([C@H](N)C2=CC[C@@H](C(C)(C)C)CC2)CC1	2061100248	VOFOHYITFBEINV-HUUCEWRRSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)C1=CC[C@H](C(C)C)CC1	2061110982	NSMHBCBIIOULSG-XIRDDKMYSA-N	249.442	4.523	0	10	BJAE	
CCC[C@]1(CC[C@@]23CCC[C@@H]2C3)CCCCCN1	2061574496	IJQZCHLNKQIRAM-BRWVUGGUSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C)C1CC(C(=O)CC[C@]23CCC[C@H]2C3)C1	2061613379	SANLHRUIGOXPGA-VSUJBEPISA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C1CC(=C2CCC2)C1)C(C)(C)CC	2061731551	UTIKMPDLTYPTIT-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)c1ccccc1C1CC1	2062630133	KEOKRNACEMZABD-TZMCWYRMSA-N	242.362	4.573	0	10	BJAE	
C[C@H]1CC(C[C@]2(N)C=CCC(C)(C)C2)C[C@H](C)C1	2063650284	SJRCJDGBIZKVSU-CKEIUWERSA-N	249.442	4.523	0	10	BJAE	
C1CCCC(NCC23CCCC2CCC3)CCC1	2063902801	JYKNPBJQBVMIRP-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1CC2(C1)CC2(C)C	2064003300	WQQQZLSQYATYSU-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC12CC(C(=O)CCCCCC1CC1)C2	2064132462	KPQNVHWHZRXERQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CC23CCC(CC2)C3)CC1	2065313923	YKABBNXJBMCWER-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@H](Nc2cccc(C(C)C)n2)CCC1	2066360296	YTOGNZQFWGGPKS-OAHLLOKOSA-N	244.382	4.506	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)C)c1cccc(C2CC2)c1	2068819691	OKRGNNRKHDAZJY-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)c1cc(C)ccc1C	2068823806	UIMQTRIGBLJABC-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CCCC1(Cn2ccc3cc(F)ccc32)CCC1	2069278888	OPIPNJADSGBNAJ-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2CCC3CC2C3)CC1	2069355253	ZTZDFROOIYYVIR-XUJLQICISA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C[C@H](N)C1(CC2CC2)CC1)C1CCCCC1	2069515862	SMSBUYOHGPUIQW-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C(=O)C[C@]23CCC[C@H]2C3)CC1	2070920395	CTLXIXCTMJJFMC-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)Cc1ccc(C(C)C)cc1	2072769023	YTMGCZUWKRVDPM-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CCC3CC2C3)CC1	2072796733	RJUZDKCJRZVWRV-RXXRUYGPSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](N)(C2CCC2)C2CC2)CC1	2072804087	OSAQNSDSKGHJJA-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2C[C@@H]2C2CC2)CC1	2072877552	IIVDAGMOVGYJQD-BCAXMMLOSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@@H](N)c2cccc(C(C)(C)C)c2)CC1	2074642396	UKEMCLOGSKUQEA-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CN([C@H]1CCC12CCCC2)[C@H]1C=CCCCCC1	2074794164	FZNXYVZMRYSFEZ-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCCCC3(CCC3)C2)C1	2074888412	KJGFMSGXXCAUGS-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H](CC)N(C)Cc1ccccc1C(C)C	2075210660	SSEZWGIYJQVQAJ-MRXNPFEDSA-N	247.426	4.821	0	10	BJAE	
CCCCCCN(C)Cc1ccc(C(C)C)cc1	2075948254	LLJZTMCUQXAVJZ-UHFFFAOYSA-N	247.426	4.822	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CNc1ccccc1C1CC1	2077262182	NVFZVPWFUFVFEA-HIFRSBDPSA-N	243.394	4.802	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CCC3(CC3)C2)CC1	2078349046	XDPAESZKZSEDGW-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C)n1C[C@H]1C[C@@H]1C1CCCCCC1	2079481830	XMJCXWDSKJGRHX-IAGOWNOFSA-N	245.410	4.711	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@]1(CN)CCCCC12CCC2	2079663669	BLLSVSWMSRUOFJ-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
C1CCCC([C@@H]2C[C@H]2CCCCNC2CC2)CC1	2079667437	WYXLDIGQHXHUGQ-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2C[C@@H]2C2CCCC2)c1	2079802500	KMYYXSCDHVBNSD-JKSUJKDBSA-N	244.378	4.509	0	10	BJAE	
CCN(C[C@H]1C[C@H]1C(C)(C)C)c1ccc(C)cc1	2080083275	PBOYVBYJGLEVOZ-GDBMZVCRSA-N	245.410	4.504	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C1	2082988898	XKWWFTWNOCRYAI-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@](C)(N)c1cccc(C(C)(C)C)c1	2083543464	HSNURKKBSMUHJM-KRWDZBQOSA-N	247.426	4.594	0	10	BJAE	
CCC1CC(CCN[C@H]2CCC3(CCCC3)C2)C1	2084918906	ZALXZJWWXCUJSI-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2085000005	YWWAQPWZLHQVKG-BHDPWAOGSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1cccc(C)c1C	2086045098	TWEOWEVHXMAWTR-CXAGYDPISA-N	248.410	4.943	0	10	BJAE	
c1cc(C2CC2)cc([C@@H]2CCNc3ccccc32)c1	2088950180	JQAMACUEIXHLGO-INIZCTEOSA-N	249.357	4.512	0	10	BJAE	
C[C@@H](CCCCCCC1CC1)[C@H](C)NC1CC1	2213576494	QHINGRWIKJWBFF-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCCCCCCC1CC1	2213580658	NIEFYUOZQVHBLU-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC1(C)CC(C)(C)C1	2215395254	XHQSDQGWXSYZNK-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CC1(C)CC(C)(C)C1	2215428322	BLAOSUSOKWRGTN-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC(C)C)C[C@H](C)C(C)C	2217138068	LYMIQDHOZMCTAQ-JYJNAYRXSA-N	241.463	4.719	0	10	BJAE	
CCCCCC[C@@H](CNC1CCC1)C(C)(C)C	2217139655	OYCZPQVXVLCBQY-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)C1=O	2218335293	UZWZLMLKNWSPMN-HOSILWTGSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CC(CC3CC3)C2)CC1	2218479459	CCQMNUHDWBQOBH-PXZKZTPFSA-N	249.442	4.514	0	10	BJAE	
COC[C@H]1CC[C@@H](CC/C=C/c2ccccc2)C1	2219069738	LFIBXTHHQWPTFU-CAXWLTTCSA-N	244.378	4.543	0	10	BJAE	
CC[C@@H]1CC=C([C@H](O)[C@@]2(C)CC=C(C)CC2)CC1	2221614758	WNBRRPYICOXRTR-PVAVHDDUSA-N	248.410	4.620	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC2CCC2)CC=CC[C@@H]1C	2223539931	SCPJWHVBBDHHPL-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC2CCC2)CCCCC12CC2	2223604257	KFAUGLPRIVQSTR-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H]1CCc2cc(C)ccc2N1	2224126395	WYZXNDUFWLNXCF-IJEWVQPXSA-N	243.394	4.548	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(Cl)c(F)c1	2244805532	YKKNLHGUBLFNPZ-SNVBAGLBSA-N	243.753	4.717	0	10	BJAE	
CCCC1([C@@H](N)CCCC[C@@H]2C[C@@H]2C)CCC1	2247175500	JMIPVQSHAUZPCD-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CNC(C)C)CC1=CCCCC1	2247490145	MVHWTALHIJBFIV-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCCCNc1cc(C2CC2)ccc1F	2250121535	SBQKALGYGWZLRI-UHFFFAOYSA-N	235.346	4.695	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](F)C(C)(C)CN	2250481314	LKPMVKMAJXHQMI-UONOGXRCSA-N	245.426	4.552	0	10	BJAE	
CC[C@@](O)(CC[C@H](C)CCCC(C)C)C1CC1	2250495965	NIPSWQSMYFWKIQ-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](CC)NC[C@]12CCC[C@@H]1CC2	2251140233	MQYTVBLSHWZEBQ-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@@]12CCCC[C@@H]1CC2	2251210957	HWRKGPMHJQQCGV-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@]1(N)CC(C)(C)CCC1(C)C	2251666603	RBXGXYXJISANBZ-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)C[C@H](N)c1ccc2ccsc2c1	2253128838	GIUJSCKQTWWMNY-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CCN[C@@H]1CCC[C@H]1CC[C@@H]1CCCCC12CC2	2253813079	BUSBFZPJBKUHJB-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCCCC12CC2)CC1CCC1	2253837250	DKUDDQQMBBTXCQ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H]1CCc2cc(N)ccc21	2254506847	WXMIAMXDMIXOBV-RDBSUJKOSA-N	243.394	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](C)c1ccccc1	2256113326	BVUJBNWXCZFJLX-LBPRGKRZSA-N	243.325	4.561	0	10	BJAE	
CCc1cccc(F)c1N[C@H](C)C1CCCCC1	2256142189	PJFPKVWJIPRTRM-GFCCVEGCSA-N	249.373	4.769	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](C)C1(C)CCCC1	2256143870	HRDOUYFAAILMIE-LBPRGKRZSA-N	249.373	4.769	0	10	BJAE	
CCN[C@H](CCCCC[C@H]1C[C@H]1C)C1CC=CC1	2257304327	AVUVYTSKIHWQEA-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC=C(C2(N)CCC=CCC2)CC1	2257939196	SMXUPFPOZPBJHF-AWEZNQCLSA-N	247.426	4.587	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]3CCC[C@@H]32)cc(C)c1C	2258252315	KSMNRSYIUWTTQS-BHYGNILZSA-N	243.394	4.602	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C[C@]12CCCC[C@H]1CC2	2260608016	SIKMJYSWDCTJIR-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@]12CCCC[C@H]1CC2	2260644590	BUXPTZGOGBDYBK-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)[C@H](C)CC1CCC1	2298857197	FYELCOXDIAHKPD-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(N)CCCC(C)C)CC1	2300500303	FDTCADCUHMFZPT-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)CC[C@H]1C[C@H](N)CC2(CCC2)C1	2300677291	XZKAPBMZMQIZAA-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CC[C@H]1[C@@H](O)C(C)(C)CCC1(C)C	2300864185	YCHDEAFGYXHCNN-UONOGXRCSA-N	238.415	4.556	0	10	BJAE	
CCC(C)=CC[C@](C)(O)[C@H]1CCCC(C)(C)C1	2300871368	FFTHWDJHHSTMAC-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC=C(C)CC)CC[C@@H]1C	2300897478	SXGYRCLILWMDDJ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCc1ccc(F)c(C(F)(F)F)c1	2300929647	RFUAIQHRICEBLQ-UHFFFAOYSA-N	246.247	4.743	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(O)CC1CCCCCC1	2301236115	JSPWIMDZQPNCQR-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCSc1ccc(C=O)c(C2CC2)c1	2301285933	WOHIJPXLQXDKIB-UHFFFAOYSA-N	248.391	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@](C)(O)C1(C)CCCCC1	2301869434	NYIGPQJJSFAGLX-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CCC/C=C/CNc1cc(F)ccc1C(C)C	2301916631	GITOSUDLGWUFIA-VOTSOKGWSA-N	235.346	4.717	0	10	BJAE	
CC1(C)C[C@H]1c1csc([C@@H]2CCC[C@@H]3C[C@@H]32)n1	2302268218	MQPJKQXGLSWZQM-WYUUTHIRSA-N	247.407	4.560	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1CC[C@H]1C(C)(C)C	2303507846	HRRZYMSYHSXCCJ-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCC[C@@H](N)C2)C1	2304446291	HFZLCFHXRQPLQG-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](C(C)(C)C)CCN1	2307894431	MQXFSJHAJIDVER-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C[C@@H]1CCCC12CC2	2307896032	XWOPSNIJBVGEBJ-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1CC(C(C)(C)C)C1	2307910099	XCAFAPUFQGJABR-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](N[C@H]1C[C@@H]2CCCC[C@]2(C)C1)C1CCC1	2308401374	VKNYVKIMRXZVQF-MWDXBVQZSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC(=O)C[C@@]12CCC[C@@H]1C2)C1CCCCC1	2310383467	WKSUPDQGOBCAAM-LXZKKBNFSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@@]23CCC[C@@H]2C3)CC1	2310893915	ZFLVMQWTLUSPTH-PVAVHDDUSA-N	249.442	4.502	0	10	BJAE	
CC(=CC[C@H](N)C1(C)CC=CC1)CCCC(C)C	2316501740	IBTKXPYOZRVVOO-INIZCTEOSA-N	249.442	4.833	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2[C@@H](C)C[C@H]2C)cc1	2316593409	WOCGFWYBVOJZIQ-HALDLXJZSA-N	245.410	4.876	0	10	BJAE	
CCCNc1cc(C2CCC(C)CC2)ncc1C	2317088836	FLRYFXXAXVIGCT-UHFFFAOYSA-N	246.398	4.506	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H](C)[C@H](C)C(C)C	2317836308	ULHBEASXBBZGMC-CKEIUWERSA-N	248.410	4.772	0	10	BJAE	
C[C@H]1[C@@H]([C@H]2C[C@@H](C)c3ccccc3N2)CC1(C)C	2318249377	WQTVGBIVYQJSFC-TWJWRFFLSA-N	243.394	4.657	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)CCCC2=CCCCC2)C1	2318543672	RHFABXLUYFXMRU-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)[C@@](O)(CCCC2=CCCCC2)CCC1	2318582324	BLRNLKOSIUCWPO-KRWDZBQOSA-N	248.410	4.909	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2318937869	DPPUFTRFMZUFNT-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
N[C@H]1CCC[C@H]1CC[C@@H]1C[C@H]1C1CCCCCC1	2319010917	UPBZTAZHWMSODB-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CCC[C@H](C(C)C)C2)CC1	2320236977	FLDXBHXAWOAMRD-GVDBMIGSSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@](C)(N)C2CC(C)(C)C2)CC1	2320335106	UMTPGMIXUNVWAE-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
C[C@H](C(=O)[C@@H](CC1CC1)C1CC1)C1CCCCC1	2320697266	VTLOOVSZKOMVIW-LRDDRELGSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(F)ccc1NCC[C@H]1CCC(C)(C)C1	2321533655	XTPANIPTGXQWDV-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2c(N)cccc2F)c1	2327783411	BTMUQVVXWMRIPU-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CCC(CC)CC=C1CCC([C@H]2CCNC2)CC1	2327908805	XLYXGADYYILBKG-DJNXLDHESA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)N[C@H]1CCC(C)(C)c2ccccc21	20525518	SWRJXDGZEIXYLO-HNNXBMFYSA-N	245.410	4.577	0	10	BJAE	
CCc1cccc(Sc2ccc(F)cc2)c1	34521703	VRIZNTBRHUGNKI-UHFFFAOYSA-N	232.323	4.539	0	10	BJAE	
CCC[C@H](NCC)c1c(C)c(C)c(C)c(C)c1C	35542086	WNRGIMDHQVGLKY-INIZCTEOSA-N	247.426	4.679	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1cc(C)ccc1C	36939953	FGFXLVZCGDTAIK-AWEZNQCLSA-N	232.367	4.703	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccccc2Cl)C1	70562224	DKDVJJKODQPRKR-NWDGAFQWSA-N	237.774	4.721	0	10	BJAE	
CCCCC[C@@H](C)n1c(C(C)C)c[nH]c1=S	82944794	ZGRMYUMZNJCWNE-LLVKDONJSA-N	240.416	4.810	0	10	BJAE	
CCCC[C@]1(N)CCC[C@@H](C(C)(C)C)CC1	83438578	WSWQOFFHXOUSAE-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NC1CCCCCCC1	83863511	FBVQBSGHMVWXNK-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CC(C)[C@@H]1CCc2[nH]c3c(Cl)cccc3c2C1	87818867	UJCSUNUARYRDRT-SNVBAGLBSA-N	247.769	4.582	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Sc1cc(C)ccc1N	91935346	OWYAJLNGSKZFRR-TZMCWYRMSA-N	249.423	4.638	0	10	BJAE	
CC[C@H](C)[C@@H](CNC(C)(C)C)c1ccccc1C	93189151	KABRHGQTXKOSPI-XJKSGUPXSA-N	247.426	4.513	0	10	BJAE	
CCCc1cccc2cc(C(C)C)c(Cl)nc12	110312122	BRTSYMLIUMGPKE-UHFFFAOYSA-N	247.769	4.964	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@@H]2CCC(C)(C)C2)c1	124992338	STKWMSNKTJEJAP-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Oc1ccc2[nH]ccc2c1	126487012	MTIIIPFODFMKBO-WBMJQRKESA-N	243.350	4.516	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCCC)C(C)(C)C	126948493	XLAZKKVIMSOILF-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCCCN[C@H]1CCC(C)(C)C1	129253693	PPCHLIVTMSYWRS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)Nc2ccccc2F)c1	132420043	OZORJOXYBPCDHA-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CC1(C)CCC[C@@]2(C)C1=CC[C@@]1(C)OCCC[C@@H]12	142956189	IPUAJEKTYUPFEU-HYVNUMGLSA-N	248.410	4.718	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)c1ccc(C)s1	161375824	NJBBEOQZFHENOK-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
CCC[C@H](C)C[C@H](C[C@@H](C)C(C)(C)C)NCC	162056763	HMCCQAWTOBILSF-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1ccc(C)cc1F	165781693	OAQKPGULSDAHMH-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
CC1CCC([C@H](N)CC2CCCCCC2)CC1	167917533	KQBCFQORUGIVDB-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc2c(C3CCCCC3)c[nH]c2c1	202825521	CCXSJNZYEKBTHY-UHFFFAOYSA-N	213.324	4.524	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1/C(C)=C\CCNC(C)C	211882814	UAUKORZXWYFLNY-KUKCEQTMSA-N	237.431	4.537	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCCC[C@@H]1C(C)C	214575567	OPBGRTMMNQZFED-CZUORRHYSA-N	249.373	4.761	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCCC[C@@H]1C(C)C	224961920	DBOAQYFHKJWAFJ-HIFRSBDPSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@@H](C)c1ccccc1	226004723	DXSSHJXQHNLYBH-NVXWUHKLSA-N	247.426	4.739	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CC[C@@H](O)c1ccccc1	227236943	OWBWNJGLODMOBE-YQQAZPJKSA-N	246.394	4.717	0	10	BJAE	
CCCN[C@@H](CCC1CC1)CC1CCCCC1	229551864	GXNPCJVHXDBOCC-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)C1CCCCCCC1	233350734	USJFEYFUQRZRGK-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)c1c(C#N)ccc2c(Cl)cccc12	260596206	MSNQTRSDDHMNJI-UHFFFAOYSA-N	243.737	4.662	0	10	BJAE	
CCCC[C@@H](C)NC[C@H](c1ccccc1)C(C)C	300455136	ZTSRKBBLNDFUQP-WBVHZDCISA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)[C@@H]1C[C@H]2C=C[C@H]1C2	300691412	UHHKWUKEHKCAFO-WOYTXXSLSA-N	249.442	4.536	0	10	BJAE	
CCCCCCNc1ccc(CC)c(C)c1	300916140	STFBQHDSUZWVQI-UHFFFAOYSA-N	219.372	4.550	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(O)CCCC(C)(C)C	302277298	INHAUFBSUROMOA-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc2c(ccn2C[C@H](C)CC(C)C)c1	302418919	UCQSOLXUAQILOG-CQSZACIVSA-N	229.367	4.632	0	10	BJAE	
CCCNCc1ccc(C2=CCCCCC2)cc1	302573636	BSSRTDNBJIDCHL-UHFFFAOYSA-N	243.394	4.534	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H](C)CCC(C)(C)C	305982682	DCIJQJZYIYTWQZ-LBPRGKRZSA-N	237.362	4.761	0	10	BJAE	
CSc1cc2cc(Cl)sc2cc1S	307063844	OVKMLFUPVWBZGZ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)c1ccc(C(C)C)cc1	308079174	PHGUGKJXMUOXNG-RHSMWYFYSA-N	247.426	4.882	0	10	BJAE	
CCCC[C@@H](CC1(CC)CCC1)NC(C)C	309242061	AYUKSUCAVYVGEN-AWEZNQCLSA-N	225.420	4.514	0	10	BJAE	
C[C@@H]1C[C@@H](CC2(C)CCC2)c2ccccc2N1	310125075	IXMMOPIPQCBEPJ-OLZOCXBDSA-N	229.367	4.555	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1ccc(Cl)c(C)c1	320197348	QBDUYRBFUBQFGZ-GXSJLCMTSA-N	238.758	4.513	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC23CCCC3)c(F)c1	328142696	CBTOQDARGQQAAB-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CCCCCC(C)C)c1	383373494	KDPZBCWKERIEMY-KRWDZBQOSA-N	247.426	4.910	0	10	BJAE	
CC(C)CCCCC[C@H]1C[C@H](C)CCC1=O	383384869	NCTRTVBHFYNFHM-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H]1C[C@@H](C)CCC1=O	383384870	NCTRTVBHFYNFHM-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CC1CCC(C)CC1)NCC	383657084	IKCANUWUNDNRJL-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C[C@@H](O)C[C@@H](C)c1ccccc1)C(C)(C)C	384340675	XJFUHOBGLUNYFH-YCPHGPKFSA-N	248.410	4.613	0	10	BJAE	
CCCN[C@H](CC)c1ccc2ccccc2c1C	384675619	DYIKKLIHEVNUBH-QGZVFWFLSA-N	241.378	4.599	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@@H]1[C@H]1CCCCN1	385950839	CTIMRIMKWXKXGR-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)NCC1(CCC)CCC1	391860524	XQHVBLZFFBIOGK-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCc1c(F)cc(C(F)F)c2ccsc12	396190078	ADDQPBOGYHYLIU-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC(C)=CCCN[C@H](CC(C)C)c1ccccc1	397760099	KBBKXMHBEUHJCW-QGZVFWFLSA-N	245.410	4.720	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@H](C)C2CCC2)cc1	398747158	OZTLUPLPHBTPSK-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CCCC1([C@H](O)CCCC(C)(C)C)CCC1	686924427	LETYYXXYINXSRM-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCC1(CNc2ccccc2C(C)C)CC1	687548861	XQVCNDFFALSGEA-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCCC1(CNc2cccc(C)c2Cl)CC1	687548965	ZZWPEFBPTCUGLJ-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCC1([C@H](O)C[C@@H](C)C2CCCCC2)CCC1	687586733	RTNJHDQVEFXSDD-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)c1ccccc1	688407294	VVEUWAQBTPCWOL-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CCc1cc(C)cc(CC)c1NCC(CC)CC	690190624	YHWDDZRYAOZYEJ-UHFFFAOYSA-N	247.426	4.968	0	10	BJAE	
CCC(C)(C)CCC(=O)Cc1cc(C)ccc1C	696561147	UFBAGGDNCDBFLM-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CCC(C)(C)CCOc1cccc(C)c1C	696800331	UAECUFLSEZQPHA-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
CCC(C)(C)CC[C@H]1CC(C)(C)CC[C@H]1CN	696805851	LGGBUXBKGBGTFS-KBPBESRZSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C1(C(C)C)CC1	697627515	RNDVNOQEXZZNMY-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1(CC)CCCC1	697758262	HZBPAAFFKORVIE-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)CCCC2CC2)C1(C)C	698992035	YTDNUDDSUNPAJU-MLGOLLRUSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	699053791	TTWJRWATAZFDNT-CZUORRHYSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H]([C@H]1CC[C@@H](CC)C1)C(C)(C)CC	701100040	UJRLEBYFDAQSFC-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C(C)(CC)CC)C1	701291932	RVQIXPVBSLYCKC-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)C2CC(C)(C)C2)cc1	701455140	MMGKQQPMNPEQLO-BLLLJJGKSA-N	246.394	4.670	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)CCCCC12CCCC2	704509979	UEMIFRQHMWOORU-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](Nc1csc(C)c1)c1ccc(F)cc1	710729915	VJCCAAUFSGYREN-CQSZACIVSA-N	249.354	4.759	0	10	BJAE	
CC[C@H](C[C@@H](O)CC1(C)CCCC1)C(C)(C)C	711179658	LTDPPXUDSPLZJO-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)CC)CC(C)C	711297316	ZMDAXYXHMJLFLI-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)[C@@H](C)c1ccccc1	711334400	YGNPLPWWCCMCLA-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H](N[C@@H](C1CCCC1)C1CCC1)C1CCC1	711864297	PWZHBEWCLSZJHI-SJORKVTESA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)CCC1CCCC1	713042794	JLRXPWUPCYMLSW-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@]1(O)CCCC[C@H]1c1ccccc1	713189378	RKFFWYXLIYBQAR-DOTOQJQBSA-N	246.394	4.512	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC(C)(C)CC	713342775	SFGAIIKTTDSNMG-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)c1ccc(C)s1	713697583	UTVAFWMAHYCKEE-LMVHVUTASA-N	249.423	4.620	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCCC[C@H]1C	719151907	WMBOEEUWQYKXQC-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CC1(C)CCCCC[C@H]1NCC[C@H]1CC=CCC1	719188474	JEAHPBFOSAMTAV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(CSCc2ccccc2)c(C)c1	1188538445	CGPSYTLXXHJBOJ-UHFFFAOYSA-N	242.387	4.737	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H](C)CC1CCC1	1899348878	ALXZZIQGEKBDTN-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@](O)(CC)C[C@@H](C)CC	1900700303	CIZQZGDPUMFBBE-DZGCQCFKSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC=C(C)CC)NC	1900882894	OCYFGRXBNWHBSC-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@H](C)c1ccc(N)cc1	1905357489	BWIUIXPYZCSGBU-STQMWFEESA-N	219.372	4.589	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1ccccc1Cl	1905435935	VXSNYLBRXNNOJX-BXUZGUMPSA-N	239.790	4.556	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCC3(CCCCC3)C2)[C@@H]1C	1915863935	BEEMTRNEBJJZOF-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)NC[C@@]1(C2CCCCCC2)C=CCC1	1916338534	XQPUEAIODPRAAW-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)C1CC(C(C)C)C1	1921267011	SDRPBTFTNXYCQJ-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC1CCCC1)[C@@H]1CCCC12CCC2	1921593999	BCKTTYBRPVUBMP-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C[C@@H]1C[C@H]1CC	1926172211	BTKPKTSVGCGGAO-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)CCCCCC1CC1	1936416677	DXOLCKYCFMRXNT-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)CCCC(C)(C)C	1939040758	BIRUGBSVACDAMX-HIFRSBDPSA-N	227.436	4.602	0	10	BJAE	
CSc1ccccc1NCCC[C@@H]1CC1(C)C	1940872889	AGQUUTSZVGGKGS-GFCCVEGCSA-N	249.423	4.647	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CCC[C@@H]1CC1(C)C	1940874376	UIYMMLUXAIWFKC-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CCC[C@H]1CC1(C)C	1940876105	JXUZAWPKTCFASP-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@]1(CNC(C)C)CC=CC[C@@H]1C	1940944229	NQUNKWMYODFJGP-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CC1CCC=CCC1	1941825531	IOKKYXVXTZPVET-CVEARBPZSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C(=O)c1sccc1C1CC1)C1CCC1	1942500900	FILJKJZPOOUYPD-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1CCC[C@@H]1C)NC	1944819769	MGIQXXMTGFGJPC-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)NC(C)(C)C1CCCCC1	1945382696	QAEPNFZEGIJETL-CQSZACIVSA-N	239.447	4.760	0	10	BJAE	
C[C@@H](CC1CCC1)NCCC1(C)CCCCC1	1945432379	NLAIRENVTZGQMU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
O=C(c1cccc2sccc12)C1CCCCC1	1945971230	XZDCRZXMPUUSLZ-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
C[C@@H]1CCC[C@H]1NC1CCCCCCCCC1	1947879073	AVXJFAQEZWQSHC-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C)[C@@H](C)CC(C)C	1948333478	SBFNWPZYLXJABP-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CCNCC1(CC(C)(C)CC)CC(C)(CC)C1	1948406947	HUVPVAUDDVTTEQ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CCC(C)=C(C)C	1949043927	RVPORRNDARJHDV-OWCLPIDISA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@@]1(CO)CCCC(C)(C)CC1	1950911980	TWGBODWBRQHGPR-MRXNPFEDSA-N	240.431	4.782	0	10	BJAE	
CC(C)C1CC(N[C@H]2CCCC3(CCCC3)C2)C1	1967855195	HQCZCVIRHVUTOG-PCKAHOCUSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H](C)CN(Cc1ccccc1)C(C)(C)C	1968225567	OFSNZRNVNWLPQG-HNNXBMFYSA-N	247.426	4.579	0	10	BJAE	
CC1(C)CCC(CN2CCC23CCCCC3)CC1	1969769556	KCOFRTMGDNANNW-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H](N[C@H]1CCCCC12CC2)[C@H]1CC1(C)C	1972744159	MFIHONGOAGFQSP-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
C1CC(=C2CC(C[C@@H]3C[C@H]4CC[C@H]3C4)C2)C1	1985534519	KJHFWIFHRUPOPQ-PJODQICGSA-N	216.368	4.703	0	10	BJAE	
CCCC1(CC(=O)c2ccsc2C)CCC1	1988432586	HPKLHNSWGULYRC-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ncccc1Cl	1990048659	GSAOUUBJMZVNET-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CCCCCc1csc([C@@H](C)NCCC)c1	1993922867	HFAHJOMMCANYQS-GFCCVEGCSA-N	239.428	4.541	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1ccsc1C	1995261361	DHMIMNBQBYHFSW-SMDDNHRTSA-N	239.428	4.663	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1csc(C)c1	1995262043	KBNOIXFEJUENKQ-FZMZJTMJSA-N	239.428	4.663	0	10	BJAE	
C[C@H](CN(C)[C@H]1CCCCC[C@H]1C)C(C)(C)C	1995748805	VTAQMFZSJGPEHJ-KFWWJZLASA-N	239.447	4.569	0	10	BJAE	
CCC/C=C/CNCC(C)(C)C1CCCCC1	1995867421	OWCWSKDBFOZKAP-UXBLZVDNSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)CCN(C)CCC[C@@H]1CC1(C)C	1995888165	KLNBRMFFAIZJEU-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC(C)C[C@@H](C)N[C@@H](C)C1CCC(C)(C)CC1	1996552288	LANSNZYPGBYKEN-KGLIPLIRSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](CC)[C@H](CC)C1CCC(C)(C)CC1	1996595985	ZWJRSFDZFCHKGG-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](N)[C@H]1CCC2(CCCC2)C1	1996612651	ZIFIWVKYKPQUTO-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccccc1C1CC1	1996615132	DVRVSVWMHZIICL-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2(C)CCC2)CC1	1997115282	GZKWUVFSEPGHGP-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC(C)c1cccc(C(=O)CCC2CCC2)c1	1998035939	BLLQJCDZKBHHLA-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCC(CCC)N[C@H](C)CC1=CCCCC1	1998379020	ABQWSHZDIGNPCR-CQSZACIVSA-N	237.431	4.824	0	10	BJAE	
CCCC1(C(=O)CC(C)(C)CC(F)F)CCC1	2000195844	ZAZZSXXMXFGVEZ-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cc(F)ccc1C	2000214698	HDAZRNFBFXVIPP-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CN[C@H](CCCC(C)C)C[C@@H]1C=CCCCC1	2000253700	BRGLWHJCBCFQEH-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2000834083	OMBYARXCDSDYNE-ITGUQSILSA-N	249.785	4.639	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H]1CC[C@H](C)CC1	2003104068	QMKJRTDBLYVJJU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
OC1(CCCC2CCC2)CCCCCCCC1	2003111049	IRPBZPUGRFWBLN-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
N[C@@H]1CCCCCCC[C@@H]1CCC1CCCC1	2003118902	UBOSDCLPIOZUPA-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCCCC12CCC2	2005563350	JSZHLCGKKSCMQR-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)[C@H]1CCCCC12CCC2	2005591700	JDSVTQALZCAPCL-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCC(N)([C@@H]2CCC[C@H]2C)CC1	2006754324	JIOFOFQNOLKEFM-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@H]2CCC[C@H]2C)CC1	2006766676	PJRAIXIZALXVSM-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CCC[C@@H]1C(C)C	2007615870	NALQPGUWMVYYIR-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@H](O)[C@H]1CC[C@H](CCCCC)CC1	2007861018	KFJXDJAJPCJHHO-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CCCCCC1CC(Nc2ccc(C)cc2)C1	2009716532	VLCCGZSGYWPYOV-UHFFFAOYSA-N	231.383	4.766	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)C1=CCC(C)(C)CC1	2010770053	WBSHVTYCIKRCEG-DZGCQCFKSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@H]2CCCCC2=O)CC1	2010784838	QZIYXLYZSXMDTN-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@H](C)NCC[C@@]12CCC[C@H]1C2	2010996379	ZIHKRGIQFDNAHL-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
Clc1ccc(N[C@@H]2CCCCCC23CC3)cc1	2011270838	DVAXEXLJMABHQN-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
CCCCCC1CC(N)(CCC[C@H]2C[C@@H]2C)C1	2011581510	VYKJKMXJJJGWSV-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC1(O)CCC2(CCCCCC2)CC1	2013201413	DCFSLCPUZZLDSV-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@](N)(CCC(C)C)CCC1CCCCC1	2013274213	NMKYQZQLTAHOFI-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](C)Nc1cccc(C(C)C)n1	2013509632	DRVLPFJCEBVJKL-ZDUSSCGKSA-N	234.387	4.586	0	10	BJAE	
CC[C@H](N[C@@H](C)C1(C)CCCC1)C1CCCC1	2014335034	QHQYDTPWDGDAHW-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCCC1(CC2(CNC)CCCCC2)CCC1	2015639337	GAJVBMSGMPKFCC-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC1(C[C@@]2(O)CCC[C@H](C)CC2)CCC1	2015640053	NSSDLLGCOMRIHR-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)C1([C@H](O)CCCC2CCC2)CCC1	2017153713	AJWPYDJFJGHFBK-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C1([C@H](O)CC2CCCCC2)CCC1	2017158719	NEMNCLJZJVJJFB-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@H]1CC12CCCCC2	2017705315	IIFOISBQCCPNKF-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCCC2(C)C)CC1	2017730680	JUNSXTILRAPCIS-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC[C@H]1CC[C@H](C)CC1)CNC(C)(C)C	2017737492	KYQWCYLSNILMEQ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCCC[C@H]2CC)CC1	2018974925	NMRDWBRRIKVAJT-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](C)N1CCCC[C@H]1C1CCCCC1	2019306548	XVSOFEAOJCGVLD-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@H](CCC1CCCC1)NCCC	2020964006	DSKSNIVKTJHIFZ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1CCC2(CC2)C1	2021788214	OYPWWWODZRWQKK-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1cccc2ccsc12	2022412974	UXYRYQORFUILPM-AAEUAGOBSA-N	244.359	4.520	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2022418305	VLCARMWFYREBGW-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(C[C@@H]2CC(C)(C)CCC2=O)CCC1	2024125324	STVPORDYQNVSJD-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)C1C[C@H](C)C[C@@H](C)C1	2027033805	MLAZELUIXNJDTJ-KFWWJZLASA-N	245.410	4.504	0	10	BJAE	
CC1(C[C@@](C)(N)[C@H]2C[C@H]3CC[C@H]2C3)CCCCC1	2027309847	UVLONKJHNCBWSG-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC1(CC[C@H](N)c2ccccc2C2CCC2)CC1	2027737712	SZHIXMDBJIRKMY-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC[C@H](C(=O)C[C@@H]1CCC[C@H]1C)c1ccccc1	2032478918	AXTOIWYJNUNIDQ-KBMXLJTQSA-N	244.378	4.576	0	10	BJAE	
CCc1ccc(CC)c(NC[C@@H]2CCC[C@@H]2C)c1	2032513523	HZCOVTZNDVJCHW-BBRMVZONSA-N	245.410	4.660	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1C[C@H]2CC[C@H](C1)C2	2033100315	KKIMBLDAEUEZLN-TTZDDIAXSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC(C)C)(C[C@H]2C=CCC2)C1	2035587785	FFLNIDLAFUBKSU-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)C[C@H](C)c1ccccc1	2037106600	KBYOOROBZJNLCO-YQQAZPJKSA-N	247.426	4.580	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1ccccc1C1CC1	2037136814	GPLUHPDXTZBLIV-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@H]1CC12CCCCC2	2039004944	DTLUEKJPYKRPAQ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN([C@H]1CCC(C)(C)C1)[C@H]1CCCC2(CCC2)C1	2041291870	CNZYRCFJIFBBQW-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC1(C)C)[C@@H]1CC=CCC1	2042023397	AXXGIPHOEOMMLP-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@]1(C)CC=CCC1	2042023657	DLCSDVXESVAWIG-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CC(C)(C)C1)[C@@]1(C)CC=CCC1	2042024758	OVSMNFFVVSRCIL-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC[C@H]1C(C)(C)C)c1ccoc1	2043058477	AHZGPYOVCHDRCD-BPLDGKMQSA-N	249.398	4.535	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC=CCCC1)[C@H]1CC1(C)C	2045305817	SQFIGXSTDBJHOK-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@H]1c1ccc(C(=O)CCCC(C)(C)C)o1	2045561662	HDELSGYTLKENFB-NWDGAFQWSA-N	248.366	4.802	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CCCCCC1CC1	2045681038	SFHJDNKYGOLVLQ-RHSMWYFYSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C[C@@H]2CC23CCCCC3)C1	2047055609	MGILCWWLEFMTRN-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC12CCC2)C1CCCC1	2047942364	JTZOASMDNIOCBQ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C=C(CNC2CC2)C(C)C)CC1	2049347522	CYLKHLIIRGLSAV-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@@H]1CCC2(CC2)C1	2049854582	HJMXTGGRTHGYPK-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCCC2(CC2)C1)C1CCCC1	2049860695	BWDAHYHQPNCMLG-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)[C@@H](C(=O)CC=C(C)C)c1ccccc1	2051381647	VXHXOWFDFPQGKM-WMLDXEAASA-N	244.378	4.742	0	10	BJAE	
CCc1cccc2c3c([nH]c12)CC[C@](C)(CC)C3	2051615718	HXMCEYXDNWEZQE-KRWDZBQOSA-N	241.378	4.635	0	10	BJAE	
CC[C@]1(C)CCc2[nH]c3cc(C)cc(C)c3c2C1	2051616795	LLJYSUVWNNWVMK-QGZVFWFLSA-N	241.378	4.690	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]3CC[C@H]32)CC1	2052282764	YDXSCOPEEPQOQS-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CCCCC23CC3)CC1	2053359793	SOALTAZPMVIQAN-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](C[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2055537560	VQWKFVFIGBMYQH-UATIGHTGSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C[C@@H]2C=CCCCC2)[C@@H]1C	2055615385	LNMCYXYVUFYAQE-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H]1CCC[C@@H]1C(C)C	2056446729	HZPVSQLTALMWAG-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2056781448	GUKDNZDIIMPDTB-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@H]2CC=CCC2)[C@@H]1CC	2058733384	DWTYBPYDSIZHIE-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@](C)(N)c1ccc(C(C)C)cc1	2059196984	TWJMVPNERZFWGU-KRWDZBQOSA-N	245.410	4.730	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12C[C@@H]1CCCC[C@]1(C)C2	2059468758	CNFWAOJOKVDUFK-MWDXBVQZSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@H](N)C2=CC[C@H](C(C)C)CC2)CC1	2061087738	HTQRAFPOKNZPQC-INTUILBWSA-N	249.442	4.523	0	10	BJAE	
CCC1CCC([C@H](N)C2=CC[C@@H](CC)CC2)CC1	2061097162	ACWPNZHTEFHTNH-RKHAHWSXSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@](C)(N)C2CCCCC2)CC1	2061116338	PFHVBZVRFWMBKW-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC([C@H](N)CC[C@@]23CCC[C@@H]2C3)CC1	2061573844	BDHAZDNXAJYALT-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CCN(CC1CC(=C2CCC2)C1)C1CCCCC1	2061678946	HGHVCGHPTBTXEH-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CCN[C@H](CC1CC(=C2CC2)C1)CC(C)(C)CC	2061738642	FKYSCMMRVWGLAY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
NCC1(CC23CCC(CC2)C3)CCCCCCC1	2065338168	RDCFZBYROOHYBB-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
C1CCCCN(CC[C@]23CCC[C@@H]2C3)CCCC1	2065850382	LGIXYBCWTLRQTD-SJORKVTESA-N	249.442	4.613	0	10	BJAE	
C[C@H](NC1C[C@H]2CCCC[C@@H]2C1)C1(C)CCCC1	2067510961	YTBZUYRYFWNPDR-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CCCC1([C@@H](N)CC2C[C@H]3CCC[C@@H]3C2)CCC1	2069284651	JRQCHXDKFPTVLP-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCCC2(CCC2)C1	2070402340	GHPXPWFFCVFYKJ-HOTGVXAUSA-N	249.442	4.824	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2070971895	PQBKRNXSIQFOPG-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(N[C@@H]2CCC23CCCCC3)CCC1	2071871232	PPCVXWDEJRMXOX-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc([C@H](N)C[C@H]2CC[C@H](C)CC2)c1C	2072794888	YKVPDGATWLMHFX-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H]1CC[C@H](CNCCC2CC=CC2)CC1	2072802240	WDUUHUHANPWPFP-JCNLHEQBSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc([C@@H](CC)NCC(F)=C(C)C)cc1	2076364274	RTSDOEXOBKHXGK-MRXNPFEDSA-N	249.373	4.553	0	10	BJAE	
CCCCCc1ccc(C(=O)CC[C@H]2C[C@@H]2C)o1	2077981186	KTZZREOYKJCPSO-STQMWFEESA-N	248.366	4.631	0	10	BJAE	
CCCC1(C[C@H](O)c2cc(C)cc(C)c2C)CC1	2082941829	KRPCEKNJVXRJDJ-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@@H](C)CC(C)C)c1	2082959082	JNLUODJVUPIJFE-LBPRGKRZSA-N	246.394	4.867	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)[C@]2(C)C=CCC2)c1	2083541188	HWWRQJKOHKFPMZ-QGZVFWFLSA-N	242.362	4.523	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(CCCCC2CC2)C1	2214583179	OBLSDTLUCCKSTN-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](O)C2CCCCCC2)C1	2215384667	LFUQYOUXUHPSDA-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)CC1(C)CC(C)(C)C1	2215393178	KTMJBLBFVCOYRJ-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
CCC1CC(N)(CCCCCCCC2CC2)C1	2216883189	HUWCXKCRNQMUKB-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218349042	JQRFAFQUCWAGAB-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCC1(CNCC2(C)CC3(CCC3)C2)CCCC1	2221026928	AQGRICMFNOUAAM-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1=C(C)[C@](N)(CC2(C)CC3(CCC3)C2)CCC1	2221070301	AYXJXZFFERUBPQ-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC(C)CC[C@@]1(CNC2CCC2)CC=CC[C@@H]1C	2223598279	SQOZVAADFIGKDZ-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](C)[C@@H](O)CC(C)(C)C(C)C)cc1	2223954038	INWHSZYXEQDSNK-HOCLYGCPSA-N	248.410	4.532	0	10	BJAE	
CC1(C(=O)c2cccc3ccoc23)CCCCC1	2224194495	RYOKQJBWNJMVQV-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)CC(C)C	2244837953	RXXVPIBFSQBPML-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@]1(C)CC=CCC1	2247174669	GYXBARFGEHVMEF-IJEWVQPXSA-N	234.383	4.518	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@@H]1CCC1(C)C)C(C)C	2247379798	PLCMAZCCJQTFFG-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CCCC12CC2)C(C)(C)C	2247666486	SLTYPDJLHMNBJG-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)c1csc(C2CC2)c1	2248073339	CSCKDCCXVXIGRO-MFKMUULPSA-N	248.391	4.635	0	10	BJAE	
CC(C)CC(C)(C)NCCCCC[C@@H]1C[C@H]1C	2248859788	KBTLOAXVBYKWID-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)NCCCCC[C@@H]1C[C@H]1C	2248869077	FVEGXEKIBKXVLB-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](CCCC[C@@H]1C[C@@H]1C)NC	2250352803	OWJITWIGFLIMNY-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](N)CC1CC2(CC(C)C2)C1	2250433477	OHFYWJMFXDXCQL-MYLOQMAZSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)CC[C@H]1CCCCC12CC2	2253790204	GPBHARBDJXEYBT-CJNGLKHVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H]2CCC3(CC3)C2)C1	2253921432	OBTIKVGUNZGKPC-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CCc2cc(N)ccc21	2254506845	WXMIAMXDMIXOBV-MCIONIFRSA-N	243.394	4.515	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CCC12CCC2)C1CCCC1	2254959516	JAJJECJBBQLJEL-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H](N)[C@@]12CCCC[C@@H]1CCC2	2255007640	BZYYWIBRWHASIX-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccc(C2(C)CC2)cc1	2259436467	GUOZPNQQKYVTMA-CJNGLKHVSA-N	245.410	4.564	0	10	BJAE	
C[C@@](N)(C[C@@]12CCCC[C@@H]1CC2)C1CCCCC1	2260668031	DURSRXRYGXSVOY-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C[C@](O)(c1ccccc1)C1CCCC1	2263741909	IIXRTVLQIGWMIM-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
C(=C/c1ccccc1)\CC[C@@H]1C[C@@H]2CC[C@H]1C2	2298433872	QNNQZLRTKXNSEA-TYNQKIBBSA-N	226.363	4.916	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@@H](C)CC1CCC1	2298861787	OMTDBOPADRGPFN-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](C)[C@@H](C)CNCC(C)C	2300700382	LIBSRWZRYSZSRM-CABCVRRESA-N	241.463	4.721	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C[C@H]1CC1(C)C	2300881700	QQUZYGOTGQZEEO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCC(=O)c1csc2ccccc12	2300925670	FJYZEDDVXLEUFE-UHFFFAOYSA-N	244.359	4.830	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)CC2CCCCCC2)CC1	2301145079	KQBCFQORUGIVDB-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)CNc1cc(F)ccc1C(C)C	2301907381	JBXZEPYMLAVQAV-GFCCVEGCSA-N	237.362	4.797	0	10	BJAE	
CCC[C@]1([C@@H](C)[C@H](C)C(C)C)CCCCCN1	2301909508	DFYPBIMIGGELOX-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@H](C)[C@H](C)C(C)C)CC1	2301964815	NMGRXVZDPFCVOF-KBUPBQIOSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CCC1CCCC1	2303443508	CJBRSDIUHVMBRI-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](O)[C@@H](C)CC(C)C)CC1	2303522788	MKELTKXPFSZNTF-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CN[C@H](CCCC[C@H]1CCC(C)(C)C1)C(C)C	2304418668	RQOMWWCDBIPEPJ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](N)c1cc(C)ccc1C(C)C	2307507531	FKNVVTBGKLSEBN-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CCC[C@@H](CC)CCC(=O)c1ccc(C)cc1	2307746859	JPEVXFXNZAWBPC-CQSZACIVSA-N	232.367	4.784	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CCC)C1CCCC1	2307825516	BTQIGICSRYDHBD-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C[C@H](CC)C(C)(C)C	2307893200	HGPKTLOTHJDZRE-SOUVJXGZSA-N	241.463	4.993	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(C)(C)C[C@H]1NC	2307898144	HVLDDULCHNUZEZ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H]1CCC[C@H](C)C1	2307909932	MDXLIDXZXLNACY-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C[C@@H]1C[C@H]1CC	2310963347	POMPSTFHLRBFAK-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312915736	OOXAEMGXVNMIOO-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC[C@@]12CCCC[C@@H]1CC2)CC1CCCC1	2313336530	URRYKGOMKYENCS-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CC=CCC1	2315867811	KBLDGBVCDMFRQI-OAHLLOKOSA-N	243.394	4.887	0	10	BJAE	
CC(=CC[C@@H](N)[C@]12CCC[C@@H]1C2)CCCC(C)C	2316559128	DWUWMHUTCNOCKN-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CCC(C)=CCc1ccc(N2CCCCC2)cc1	2316566163	UXBHYBDNQAGSAO-UHFFFAOYSA-N	243.394	4.576	0	10	BJAE	
O=C1CCCC[C@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2317006014	BBEXSNZESPSQND-XUWVNRHRSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](N[C@H](C)[C@@H](C)C(C)C)c1cccc(C)c1	2317629601	JJZSHJAOYRATJA-UXLLHSPISA-N	247.426	4.716	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1ccccc1C1(C)CC1	2317830595	INPPXFCFBVGSTG-ZIAGYGMSSA-N	245.410	4.831	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)C[C@H]2CCC[C@H]1C2	2318542745	XNWVKDNVWXAZHK-ULQDDVLXSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)C[C@H]1C[C@@H]1C	2318569704	SGHCVDFZTMOBHM-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
O=C(CCCC1=CCCCC1)C1[C@H]2CCCC[C@H]12	2318573444	RPFNLOIEKGBRGQ-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@@H]1C[C@H]1CC	2318576227	NAZWXLJOONVFAP-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@@H](N)C[C@H](CCCC2=CCCCC2)C1	2318582790	HWAOVDDZEWQQGX-USXIJHARSA-N	249.442	4.811	0	10	BJAE	
CCNCC1(C[C@H]2CCC(C)=C(C)C2)CCCC1	2320329446	HXLPVQQYWATNJC-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC1=C(C)C[C@H](CN2[C@@H](C)CC(C)C[C@@H]2C)CC1	2320387059	CVKYJZLATJSAQJ-YESZJQIVSA-N	249.442	4.632	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H]2CC[C@H]2C(C)(C)C)CC1	2320410426	DOUBIISDYXWOPW-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@](C)(N)C2CC3(CC3)C2)C1	2321631198	NVEWDNQHTREVPT-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c([C@@H](C)Nc2ccccc2)c(C)c1	19233261	UDEAQQKXZNDZKP-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CC(C)c1ccc(-c2oc(Cl)cc2C=O)cc1	19946877	PUPGPILLZLWLTB-UHFFFAOYSA-N	248.709	4.536	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)cc1)c1ccccc1	19997396	NPIBKWFMJISXJS-QGZVFWFLSA-N	239.362	4.948	0	10	BJAE	
CCC[C@@H](C)N[C@@H]1CCC(C)(C)c2ccccc21	20525549	OYLJAHGFJJBOHW-CZUORRHYSA-N	245.410	4.577	0	10	BJAE	
CCN[C@@H](c1ccc(CC(C)C)cc1)C(C)(C)C	35510545	XCCGAPSIMXRPSI-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CC(C)C[C@@]1(N)CCCC[C@H]1C1CCCCC1	37376850	NDODPUAUEXAPBA-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CC1=CC=C([C@]2(C)CCCC2(C)C)CC1	62237766	DYQFFTPJVWEYMH-HNNXBMFYSA-N	204.357	4.869	0	10	BJAE	biogenic,in-vitro
c1ccc(-c2ccc(NCc3ccoc3)cc2)cc1	63047157	MSFFZFNQCNFZCS-UHFFFAOYSA-N	249.313	4.559	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccccc1Cl	70558344	YHJYMISFPONPFF-YPMHNXCESA-N	237.774	4.721	0	10	BJAE	
CCCCC[C@H](CC)NCc1cccc(C)c1C	83377777	VWVNUHKDOOKLII-KRWDZBQOSA-N	247.426	4.752	0	10	BJAE	
CCC1CCC([C@H](O)c2ccc(C)c(C)c2)CC1	85077770	CCTSSPJTKUHAPP-DQPZFDDXSA-N	246.394	4.553	0	10	BJAE	
Cc1cc([C@@H](C)Nc2ccsc2)c(C)s1	85528782	DHANJHJIBIGGDB-SECBINFHSA-N	237.393	4.600	0	10	BJAE	
C1CCCCCC(CNC2CC2)CCCCC1	89556584	KBXUCMCHQNUDIQ-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1	109786748	WSWPPJOZVFRJDP-SMKXDYDZSA-N	243.394	4.801	0	10	BJAE	
CCc1cccc(C)c1NCCC1CCCCC1	125072542	CKGPPBWSLOGHGS-UHFFFAOYSA-N	245.410	4.940	0	10	BJAE	
CCCCc1ccc2oc([C@@H](O)CCC)cc2c1	130387462	KWJUYKCQDQZTTD-AWEZNQCLSA-N	246.350	4.609	0	10	BJAE	
CCC(CC)[C@@H](O)[C@@H](c1ccccc1)[C@@H](C)CC	131728991	DVIMOOXYQMDQCV-IAOVAPTHSA-N	248.410	4.613	0	10	BJAE	
Cc1coc2c(Cl)cc(Cl)c(Cl)c12	160623154	LGDIMPNWJUNINK-UHFFFAOYSA-N	235.497	4.701	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)CCC(C)(C)C	163385623	LZBXZVYXXITJRO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC([C@@H](O)C2CCCCCC2)CC1	167707956	WOOCUBXZGAGHGJ-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](c1cc(C)c(C)cc1C)[C@H](C)C(C)C	168720361	GKWFIXHDRFDGOI-WBVHZDCISA-N	247.426	4.555	0	10	BJAE	
CCCC(=O)[C@@H]1CCC[C@H](C(C)(C)C)CC1	211708591	VUNPUXYVVGZCFH-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](NCC)[C@H](CC(C)C)c1ccccc1	212496416	RSOCQPRFCQMWKI-SJORKVTESA-N	247.426	4.595	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCCC[C@@H]1C(C)C	214449238	STQFDCLQKPHSTH-HUUCEWRRSA-N	249.373	4.761	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC[C@@H](C)C1	216301718	QFAIANLEWQPJGK-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@H](CC)CC[C@H]1CCC[C@@H](CC)C1	227178453	JABDUTSNWJPPKG-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC23CCCCC3)c(C)c1	230159566	STQHMNOAJUMLNR-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCC[C@@H](CC(C)C)C1	230783238	DMWRRIMMGKOAGB-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](NC(C)C)C1=CCCCCCC1	232981330	LGYQWPRQARWURP-MRXNPFEDSA-N	237.431	4.824	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCC[C@H](C(C)C)C1	300316851	WYFXWIVOXMMLJX-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)C1CCC(C)CC1	302324291	HGULYXUVBSEWOU-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CC)CCC1CCCCC1	305950777	MXYLVGFVFKTVMO-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCCCCCF	305969539	BJYJYSLNJOVFAQ-UHFFFAOYSA-N	238.346	4.637	0	10	BJAE	
Cc1c(Cl)ccc2cc(Cl)sc12	306666650	AADGTRXVGJMEDA-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@H](CCC)CC(C)C	308051385	MDRNVDZPWKPLKN-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CC1CCC(C)CC1	310419575	NTLCDHPRWVWBHE-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)/C(C)=C\C1CCC(C)(C)CC1	310423164	OMHIIULRIORLJE-WUFNSSIPSA-N	237.431	4.537	0	10	BJAE	
CCc1ccc(NC(C(C)C)C(C)C)cc1C	310508382	PKWZXAQAUCDTBD-UHFFFAOYSA-N	233.399	4.650	0	10	BJAE	
CC[C@H](N[C@@H]1CCC(C)(C)C1)c1cccc(C)c1	310613977	ADPHHIQIAUXNHF-CVEARBPZSA-N	245.410	4.614	0	10	BJAE	
Cc1ccc([C@H](N)C[C@@H]2CCC[C@@H](C)C2)c(C)c1	310821811	BSROVSVLLAFMGG-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H](Nc1ccc(C)c(F)c1)C1CCC1	322299173	UEYPGGQZAQBUGC-HNNXBMFYSA-N	235.346	4.515	0	10	BJAE	
CC[C@@](O)(CC1CCC(C)(C)CC1)C1CCC1	322312311	YXXAVHMFZXYLCZ-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc([C@H](N)CCCCCC(C)C)c1	383325345	YJPNJHBAQANMOH-MRXNPFEDSA-N	233.399	4.601	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H](C)C1CCCCC1	384081326	XQBLKQRFOVMPMZ-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)[C@@H](N)c1ccc2ccccc2c1C	384671831	DEECCDJLQJUAKI-INIZCTEOSA-N	241.378	4.584	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc2ccccc2c1C	384672417	DGJXFLXFKRTNAF-LBPRGKRZSA-N	240.346	4.767	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC1CCC(C)(C)CC1	385052893	BXBOABGECRKKBD-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1NC1CCC2(CCCC2)CC1	385859935	RTLWGPYHUHGQQP-HOCLYGCPSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@](O)(CC)C1CCCC1	387597545	VBNCVGIXYGYAFV-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@@H](C)NCCC1CCCCCC1	394570609	LIDGJYQRMKOECS-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H](C)CC(C)(C)C	395060759	PAWKYTAWHVGOBS-NSHDSACASA-N	239.790	4.885	0	10	BJAE	
CCc1cc(C(F)(F)F)cc2scc(C)c12	396301590	JQDJATVXDKKAFG-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1c(C(F)(F)F)ccc2sc(S)cc12	396304249	NIWWAPBGJCGGMQ-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
C[C@H]([C@H](N)c1ccccc1C1CCC1)C(C)(C)C	399079140	RKUNZLQDNNXGLW-WBMJQRKESA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)C1=CCCCCC1	691178800	YDJQLYGWNNOIHX-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@H]1CC2CCC1CC2	691787963	MPKMTNNCFQAOTP-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](C)c1cccc(C)c1	695058691	FNFAPHHCEHLSSR-NVXWUHKLSA-N	247.426	4.513	0	10	BJAE	
CCC1CCC(NCC2CCC3(CC2)CC3)CC1	695698384	FAOZMLTUYANYQO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]1CCCC[C@H](CCC(C)(C)CC)C1	696704589	REZIPNQHKOMKSI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)C1(C(C)C)CC1	697627518	RNDVNOQEXZZNMY-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCCC[C@H]1C(C)(C)C	701046288	BXGYBZPRCNQZLE-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@H](NCCC)C1CC(C)(C)C1	701458768	NASVHQUBGAACKW-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
c1cc(N[C@H]2CCC23CCCC3)cc(C2CC2)c1	703741869	OFHVWGHNGJOKQI-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCCC12CCCCC2	704436747	TXNSPKPTACLHAA-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
C/C=C/[C@@H](NCCC)c1ccc2sccc2c1	704614843	SUZXMMLIPGGJJE-LYKUJDHUSA-N	245.391	4.518	0	10	BJAE	
CCC1CCC([C@]2(N)CCCCC[C@@H]2C)CC1	704928442	LZBZHEKPZQPAFQ-LBDPXKHJSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(C[C@@H](C)CC(C)(C)C)C(C)(C)C	709208094	XNIRDQYKAVYSSZ-SWLSCSKDSA-N	227.436	4.602	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](C)CC(C)(C)C)cc1	709267567	ZIKSKNIFDCPDHA-CYBMUJFWSA-N	246.394	4.894	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCc1ccc(C(C)C)cc1	710038279	WXLZLGZAAXMOBJ-CQSZACIVSA-N	247.426	4.724	0	10	BJAE	
C[C@H](Cn1ccc2ccc(Cl)cc21)C(C)(C)C	711146162	DSKXQDFERGNARA-LLVKDONJSA-N	249.785	4.977	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)c1occc1C	718526929	NIBMFZCDLADOKE-HNNXBMFYSA-N	249.398	4.765	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC)CCC=CCCC1	718996338	HKIKZKAVJBKXQW-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCCC1(NCc2ccccc2C(C)C)CC1	1176849874	RZJCSWLIXKKNIP-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
CCC(CC)(CC)NCC1CCC2(CC1)CC2	1191618483	TVNWKCWUPSADEP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C=C/C=C/CCN(C)C1CCC(C(C)(C)C)CC1	1307434070	QIUSDXUFGJLJHP-BQYQJAHWSA-N	249.442	4.655	0	10	BJAE	
Cc1ccc(CSc2cccc(Cl)c2)cc1	1458929725	AYLXZBFJFDQMFL-UHFFFAOYSA-N	248.778	4.941	0	10	BJAE	
CCC(CC)N(CC)C[C@H](C)CC(C)(C)C	1460178027	IYIHSWQQPFFKIN-CYBMUJFWSA-N	227.436	4.569	0	10	BJAE	
CC(C)(CN[C@@H]1CCCCC12CCCC2)C1CC1	1621543076	GZDXHYHRRZAJRE-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](C)(CCC(CC)CC)CNCC	1900692858	IGFQNHPSTDGHBK-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Oc1ccc(Cl)c(F)c1	1901681773	HRHBDLTUPMZCTI-NXEZZACHSA-N	244.737	4.539	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCC[C@@H]1C[C@H]1C	1908555199	JJONFHXBVOAORX-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C1CCCCCCC1	1910793722	LHDYENLIHULRQH-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NCC=CC2CC2)CC1	1911809701	UOLYVJNSZIKYMM-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC(=C[C@H](C)C1CCCCC1)C[C@H]1CCCCN1	1911851048	AGVAYBBNPWKHQE-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H](C)C1CCCCC1	1919539366	SBTNJCMKCAAREF-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@](C)(O)C1=CCCCCC1	1919958284	HEYPIPUAULMTDN-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(CC)[C@](O)(CC(C)C)c1ccccc1	1920040682	KNEGZFFBGSCBNN-KRWDZBQOSA-N	248.410	4.747	0	10	BJAE	
Cc1ccc([C@@](C)(N)[C@@H](C)CCC(C)C)c(C)c1	1920494518	UEBLLZBHJOTDNJ-RDJZCZTQSA-N	247.426	4.550	0	10	BJAE	
CCCC1CC(CCCC(C)(C)C)(CNC)C1	1921201202	SCJJJXOKTQHQFH-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC1CC([C@@H](CCC(C)(C)CC)NC)C1	1921285388	FHTZRYIOQLFQEL-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](N)(CC[C@H]2CC2(C)C)C1	1921548404	GHJQHWMROGKWAW-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C[C@]2(CN)CCCC23CCC3)CC1	1921657325	OCWMMAUZRJWYLS-DQPZFDDXSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H]([C@@H](C)C1CCCC1)C(C)(CC)CC	1924080011	ZYZYMVHWDJHEMH-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H](C)C1CCCC1	1924139157	ODBILTWPQXEVPF-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2C=CCCCC2)C(=O)C1	1925763466	OGGAUUSCLQIAKK-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H]1C=CCCCC1	1925930663	SEXXQNASDSMVKW-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@@H]1C[C@H]1CC	1926172210	BTKPKTSVGCGGAO-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)c1ccsc1Cl)C(C)C	1927989098	YTRJEHJHMLKRQX-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2(C)CCCCC2)C1	1940409900	ZKSTZBZXCQSEAN-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@H](CCCC1(C)CC1)NCC	1940863077	KQFRPVUNRMBFHO-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](O)(CCCC2(C)CC2)C1	1940871134	ZXIDZGCCSXSPJQ-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)[C@H]1CCC[C@@H](CC)C1	1941251682	MDBXMFCVXSEYAG-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](O)(CCC2CCC2)C1	1941470042	KXMSOZZTQKXXMA-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](CNC(C)(C)C)C1CCC1	1942092328	BYTOAQUKVNTRDB-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)[C@H](C)CCC(C)C	1942653965	WIGPKPKYYYSDAO-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@]1(O)CCCCCC1(C)C	1944854633	ZMHMPUZXJYTIJP-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@@H]1CCC(C)(C)C1	1945590923	HXOGSVMMQQVTHO-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC=C[C@H](C)N[C@H](c1cccs1)C1CCCC1	1947046770	IEINZFXQSKTCOJ-WFASDCNBSA-N	249.423	4.534	0	10	BJAE	
C[C@H](CC(=O)O)CC1CCCCCCCCC1	1947880473	XRGGGOKJDAQATD-ZDUSSCGKSA-N	240.387	4.628	0	10	BJAE	
CC(C)(C)c1ccc([C@H](N)CC2=CCCC2)s1	1949035615	VRJUZGGKPJDBOR-GFCCVEGCSA-N	249.423	4.546	0	10	BJAE	
CC[C@H](C)[C@H](C)C[C@@H](CC1CCCCC1)NC	1949920234	YNTCBPMZDSADBG-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CCCC2CC2)CC1	1950917018	CPZJNCYOJCWGPJ-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CNC[C@@]1(CCC(C)(C)C)CCC[C@@H](C)CC1	1950931848	ZSCGYYOGTHXBJB-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@]2(C)C=CCCC2)CC1	1966038535	VDFZHFANRUYHCP-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC([C@@H](C)NCCC(C)C)CC1	1968285581	ULRRNTAHFWRRIP-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CC1(CCOc2ccccc2C(C)(C)C)CC1	1968366519	IJBXZUWEOSTLHV-UHFFFAOYSA-N	232.367	4.553	0	10	BJAE	
Cc1ccc(Cl)cc1-c1nc(C2CC2)cs1	1968716351	WMORPNIDUYQEHL-UHFFFAOYSA-N	249.766	4.649	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CCCCC1(C)C	1970081297	DHTDOTGECUZLRI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1973573790	QLAOEKQSORDZGZ-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)c1cc(C)cs1	1976003012	IAZCMOBSWMLPHZ-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCCC[C@@](C)(N)[C@H]1CCCC(C)(C)C1	1978437239	OTFSAJRGNOROEY-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCC(=O)c1csc(C(F)F)c1	1978583365	UVWLOUDYXZCKRQ-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(CN)CCCC	1978627044	OJCWKAHPZYVYJM-GJZGRUSLSA-N	227.436	4.748	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H](C)C1(C)CCC1	1981367969	CBCSHDJVHQZACR-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCCCCCC(=O)CC1CC(C(C)C)C1	1983365941	ADGBTHVOTPOYRB-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCC[C@H](CCCC(C)C)NCC	1984650418	XGEQKPPLKIHWAX-KEDPEKRHSA-N	225.420	4.537	0	10	BJAE	
C=C=CCCC[C@H]1CCCC[C@@H]1C(F)(F)F	1985447717	MKPGLBDRUGUOEQ-RYUDHWBXSA-N	232.289	4.867	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC(C)(C)C(C)C	1986936010	BNWPSZOXTDENAJ-OAHLLOKOSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CCC(C)C)CC1	1989780448	TZIVHULKISFGSO-HDJSIYSDSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H](C)C(C)C	1995205482	TWYRUUDELKZCOK-KGLIPLIRSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCCC(C)C	1995215446	VUOMTWYWOFXDEP-CQSZACIVSA-N	226.404	4.988	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC(C)(C)CC	1995264486	VVFMLJPPICDRJS-KBPBESRZSA-N	227.436	4.747	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2CC[C@H](C)C2)n1	1995460671	BLGWBXGDPGRTID-SDDRHHMPSA-N	237.412	4.635	0	10	BJAE	
CN(CC(C)(C)C)C1CC(C)(C)CC(C)(C)C1	1995756496	JCYKRFYBBBTDIS-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(CC)[C@@](C)(N)C1CCC(C)(C)CC1	1996562109	RYWWOCRVLMJSMI-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@H](C)[C@@]1(O)CCCC2(CCCCC2)C1	1996646725	FWGRNQAOKHXYBR-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)C1CC=CC1	1997546700	OWUOETNHZGMQHF-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](O)CC1[C@H]2CCCCC[C@H]12	2002197711	IHFHLTXTNVYAJZ-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1[C@H]2CCCCC[C@H]21	2002756930	BZKUXIRVTGADSP-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@@H]1CCCC(C)(C)C1	2002990936	NQKDGLSTKTWETN-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CCCCCC[C@H]2N)C1	2003100130	PCDWLXBVJHDKBA-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@H]1CC[C@H](C)CC1	2003104554	WKXVIEWWENKMKA-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CC1(C[C@H](N)c2ccc(C3CC3)s2)CCCC1	2003177979	XMCFIHJUVPYEES-LBPRGKRZSA-N	249.423	4.596	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCCC(F)(F)C1	2003199022	GWLMKQIAYQSYSA-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCC[C@@H]1CC[C@H](NCC)[C@H](CC=C(C)C)C1	2004226927	KCYPMSQKBGTKSY-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C(C)C)C1CCC(C)(CC)CC1	2004336630	HXHHBRXRDANAII-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CNC[C@@]1(CCCC(C)C)CCCCC1(C)C	2005583675	PWWFNKDIACHNNL-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)[C@@H](NC)C1(C)CCC(C)(C)CC1	2007697861	QPWMVFWZYFCOPO-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)C=C1CCCCC1	2007919963	HTFWTZZFDNRCRH-INIZCTEOSA-N	238.415	4.556	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H](C)CCCC	2009598760	RKHRUMDTRGDRJL-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CC=CCCC[C@H](CC[C@H]1CC1(C)C)NCC	2009616236	HCMZMBSRPVSVAM-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@](C)(O)C1=CC[C@H](C(C)C)CC1	2010718931	LEBIBIGJUWZXPH-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CC=C([C@H](O)C(C)(C)C(C)(C)C)CC1	2010726407	PNKGQMQXFRSXFO-OCCSQVGLSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](N)CC1=CC[C@@H](C(C)(C)C)CC1	2010767286	VMAWYCUTJVQSLU-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@@H](N)CC1CC(=C2CCC2)C1	2011094395	VTPYUBIKSADBKC-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
Clc1ccccc1NCC1C[C@H]2CCC[C@@H]2C1	2011968436	BVJBPHNRUZYGCU-CHWSQXEVSA-N	249.785	4.578	0	10	BJAE	
CCCC[C@@](O)(CC)C1CC2(C1)CC(C)(C)C2	2012112127	CHLZGLNDEZNPST-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)NC1CC(C(C)(C)C)C1	2013266519	HQLMYKCORSXFRN-SHARSMKWSA-N	239.447	4.616	0	10	BJAE	
CC[C@@](O)(CCC(C)C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2013270085	FKRCWXSQLQFWCO-FXUDXRNXSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CCCC1(O)CC(CC(C)(C)C)C1	2014669586	SZQZCDRJQNEQKI-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C[C@@H](N)C1CCCCCC1)C(C)C	2015292185	XTDIACRXSZCKTO-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CCC(C(C)C)C(C)C)[C@H](C)C(C)C	2015359005	BZRCNFIGSTXODJ-GDBMZVCRSA-N	241.463	4.575	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@H](C)C(C)C	2015386566	MOXLAPNKLDBRPV-ZDUSSCGKSA-N	232.367	4.675	0	10	BJAE	
CCCCCN(CC1(CCC)CCC1)C(C)C	2015594322	RBTCQNPWVYZOOF-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(O)CCC=C(C)C)C1	2016149606	LBPSHAHTUSDIAP-PMPSAXMXSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@](N)(CC)CC1(C(C)(C)C)CCC1	2017139770	YZTKDNABUPSTQY-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC(C)=C(C)CC1(CNC(C)C)CCCCC1	2017465855	ITOALLWPDFAJOB-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCC[C@H](C)C2)CC1	2017730963	MODNMZQAYHZOLC-SLTXQBBLSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)NC1CC2(CCCC2)C1	2018134421	OMMQSBBBSAZRGZ-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)C1(CC)CC1	2018997215	XVHUWIBMDJJWMQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N(CCC(C)C)C1CCCC1	2019383656	DDSNABIGABNIMJ-HUUCEWRRSA-N	239.447	4.712	0	10	BJAE	
CC(C)c1ccc(NCC(F)=C2CCC2)cc1	2023246887	SFHMDEQQZSVINL-UHFFFAOYSA-N	233.330	4.629	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CCCCC(C)(F)F)C1	2023331277	JNXXMEHPPUTGKC-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC(C)c1cccc(NCCC2(F)CCC2)c1	2025274812	KJNHULQFCXQBEB-UHFFFAOYSA-N	235.346	4.504	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@H]2C[C@H]3CC[C@H]2C3)n1	2026531104	JVQSFIQMYUTOKF-UHXUPSOCSA-N	249.423	4.635	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)Cc1ccccc1C(C)C	2027460808	NZHUSMNHWLRZTM-PBHICJAKSA-N	248.410	4.540	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C[C@@H]1CC=CCC1	2027731823	HPLGFWSSCXEIQW-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1[C@H](CC(CC)CC)NC	2027903354	LGKUAVJDVWRQDS-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H](C)C1CCC1	2027903814	QIEWXDNONGALGP-ZDUSSCGKSA-N	244.378	4.648	0	10	BJAE	
CCNC[C@@]1(CC2CCCCC2)CC=CC[C@@H]1C	2027926394	NKTZGWYBMJXWQH-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](Nc1cccc(C2(C)CC2)c1)c1ccco1	2032247533	SEEYNYDJTRVNLT-GFCCVEGCSA-N	241.334	4.504	0	10	BJAE	
Cc1cccc([C@H](O)C(C)(C)C2CCCC2)c1C	2032270548	BXOIGQJJUSCQCP-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@@H]2CCC[C@H]2C)cc1	2032557295	KPPJCNSMNCVRIG-XOKHGSTOSA-N	246.394	4.670	0	10	BJAE	
CC[C@H](CC1CC1)NC1CC(C2CCCCC2)C1	2033832049	ZHXURPNFUWHZNH-AQFXKWCLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CC[C@H]2CC[C@H]1C2	2035042657	CTIKBJHTYTWKKR-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](N)(CCC(C)=C(C)C)c1ccccc1F	2037172109	RDFJFLCDGJANIY-MRXNPFEDSA-N	249.373	4.526	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@H]1C=CCCCC1	2037271752	KBSOZESXBCEYAY-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
O=C(CCC1CCCCC1)CC1CC2(CCC2)C1	2037974462	LZFQDPUKJNGHGE-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1CC[C@H](C)c2[nH]c(CC3CCCCC3)nc21	2038008535	ZWVVHYFDWNBVJB-RYUDHWBXSA-N	246.398	4.533	0	10	BJAE	
CC(C)CCCCC=C1CCCC[C@]12CCNC2	2038645801	PVVWQKAQCSOBQI-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)[C@@H]2CC23CCCCC3)C1	2039079057	NQBSGJWVCWWZGQ-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNC[C@@H]2C=CCCCC2)CC1	2041542859	ZMJGGSDWQOVXSO-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@]1(C)N[C@H]1CCC12CCCCC2	2041737033	RGCGZPXAZAZEOE-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@]1(C)CC=CCC1	2042070729	XYGYPBNVADIYSG-IRXDYDNUSA-N	244.378	4.590	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@]2(C)CC=CCC2)CC1	2042087745	WAGMWDVWXNHERT-KRWDZBQOSA-N	248.410	4.908	0	10	BJAE	
CC(C)(C)NC[C@]1(CCCC2CC2)CC=CCC1	2042090386	AGDXVSAVYDBXJG-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(C(=O)[C@@H]2CCCC[C@H]2CC)c1	2045563007	CVFRJUUPWDVYOH-GDBMZVCRSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1[C@@H](C)[C@H]1C1(N)CCC2(CCCCC2)CC1	2045672931	ZHDRSOBZBDQKPY-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
NCC1(C[C@H]2CC23CCCC3)CCCCCCC1	2047009497	QWCAGCWPWDJTFH-HNNXBMFYSA-N	249.442	4.646	0	10	BJAE	
FC1(CNc2cccc(C3CC3)c2)CCCCC1	2047239122	SBWBHKWYISBJBV-UHFFFAOYSA-N	247.357	4.648	0	10	BJAE	
N[C@H](CCC1CCC1)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047405334	BBKDAYXWGHBJJO-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1N[C@H]1CCCCC12CCCCC2	2047586064	GVURZYCLJTYPBS-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CCC2=CCCCC2)C1	2049499400	UKLGXSCVLZQXBG-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CC1CC(C)(C)C1)[C@@]1(C)C=CCCC1	2050005258	FDHDUPBZEOTGIS-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
OC1(C2=CCCCCCC2)C2CCCC1CCC2	2050038753	FPQIBEDRNCDRAI-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C(=O)CC2=CCCCCCC2)c1	2050460665	LJBUFDIOQTXFSG-UHFFFAOYSA-N	242.362	4.848	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC[C@@H](C)C1)c1ccco1	2050525633	QAGHMJSUGUIYTH-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H]1CCCCC12CC2	2053415266	HCGYACGWBZUSNV-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@]1(C2CC(C3CCC3)C2)CCCCCN1	2057496063	SZBGPUGPLCXDJD-JCYILVPMSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CC(N)(C[C@@H]2CCCC3(CC3)C2)C1	2058827932	NGWBZOHOAVUYQI-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2CCC3(CC3)C2)CC1	2059003342	MZEHHQBZMCQFDF-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC=CCCCC(=O)c1cc2cc(C)ccc2o1	2059195780	LPFDIAWWCOYAHO-UHFFFAOYSA-N	242.318	4.670	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C1=CC[C@H](C)CC1	2060921379	LCCOVWWJUBONIG-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@@]1(CNCCC)CCC[C@@H](CC)C1	2061563488	PJRHGGLLCAENLQ-IAGOWNOFSA-N	249.442	4.694	0	10	BJAE	
CCN[C@H](CC[C@@]12CCC[C@@H]1C2)C1(C)CCCC1	2061572844	UIDZWVTUZVSYQQ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C(=O)CC2CC(=C3CCC3)C2)CC1	2061700682	CNXSVDLERUPMFU-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C1CC(=C2CCC2)C1	2061734828	RIDKPZUHWKWSKF-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CC2CC(=C3CCC3)C2)CC1	2061737309	PXOZMUQKVDGLOJ-GUYCJALGSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2CC(=C3CCC3)C2)C1	2061740357	XZZHBTJNBKLLTQ-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1C[C@@H]([C@H]2CC(=O)CC3(CCC3)C2)CC[C@H]1C	2063719050	BQWJKZRWISROHH-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC[C@H](C)C(C)C)c1cccc(C)c1	2069017983	XIBPUVQFOXYSKB-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CCCC1(CN2CC[C@H]2C2CCCCC2)CCC1	2069268412	QNHLFGYSMDIZNE-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@@]2(C3CC3)CCCCCN2)CCC1	2069344593	MLNVDZAKZHWYPG-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@@H](CC1(C(C)C)CCC1)C1CC=CC1	2071943558	OGUCOSGYLUCIGI-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CC1(C(C)C)CCC1	2071949140	LFYCXMBYYSPFHV-OAHLLOKOSA-N	245.410	4.520	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(CNC)C=CCCC2)CC1	2072798940	ODONWXGMGLAAON-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)[C@H]1CCCC2(CC2)C1	2073787830	SPVGMUIJUGSUPG-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@@]12CCCC[C@@H]1C2)C1CCCCC1	2074093606	GMWJRBNRLWDWBM-LXZKKBNFSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(N(C)[C@@H]2CCC3(CCC3)C2)CC1	2074860113	PZBSMZALPCTPSY-UYSNPLJNSA-N	249.442	4.610	0	10	BJAE	
CCCC1CCC(CN)([C@H]2C=CCCCC2)CC1	2075373824	SBMNNAPONKDUFZ-CGZBRXJRSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1C[C@H]1C1CCC1	2079443444	OPLHUOCZIZBLNW-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C(=O)[C@H]2C[C@@H]2C2CCCCCC2)C1	2079488622	VKXLGCXKJPKSEK-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H]1C1CCCCCC1	2079529797	OIELQVCRQCJINF-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
N[C@H](C[C@@H]1C[C@H]1C1CCCCCC1)C1CCCC1	2079626129	HKWKPJGMFRPBKV-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CC[C@H](O)c1ccc2ccccc2c1C	2081782486	RQWKRKRSOKTWSM-KRWDZBQOSA-N	240.346	4.538	0	10	BJAE	
CCCCN(Cc1cccc(C)c1C)[C@@H](C)CC	2082948066	BJKJKPQLRHABGP-HNNXBMFYSA-N	247.426	4.704	0	10	BJAE	
Cc1cccc(CNCCCCCC(C)C)c1C	2082950520	MDNONUNJBMIHHS-UHFFFAOYSA-N	247.426	4.609	0	10	BJAE	
CC1(C[C@H]2CCCNC23CCCC3)CCCCC1	2083816872	ABBCAYKAGYWAIO-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](Nc2cccc(C3CC3)c2)C1	2085245084	QNDRNRLMCKQHMS-RHSMWYFYSA-N	243.394	4.801	0	10	BJAE	
CCCCCc1ccc(NC[C@@]2(F)C[C@@H]2C)cc1	2085464999	YTPPPRWAQHGYIC-BBRMVZONSA-N	249.373	4.579	0	10	BJAE	
N[C@@H](CC1=CCCCCCC1)C1CCCCC1	2214781170	UCWJGJCKGFNCPK-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
O[C@H](CCCCC(F)F)C1CCCCCCC1	2216452116	ORTRRCATTKSNEL-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC[C@](C)(CCCC(C)(C)C)CNC1CCC1	2217141539	SQJSTCGCDIFTGF-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
COc1c(C[C@H]2C=CCCC2)cccc1C(C)C	2218072400	ZSWPRTIZBMVMSY-AWEZNQCLSA-N	244.378	4.717	0	10	BJAE	
CCN[C@@H](CCC/C=C/c1ccccc1)C(C)C	2219095580	OIZBWFJFVIIJKC-VEMDQMBVSA-N	245.410	4.504	0	10	BJAE	
C[C@H]1C[C@@H]1CCC1(CNC2CC2)CCCCCC1	2220882895	YJLJSIQZRZEEMC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@@]1(C)CC=C(C)CC1	2221618084	FRTZLMXGNUHHJR-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CN(CCCCCCCC1CC1)c1ccccc1	2223111178	WRYLCVHGLZVKKM-UHFFFAOYSA-N	245.410	4.873	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CCCC2)CC=C(C)CC1	2223590951	BBTDQBGALVWSIX-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC)CNc1cc(F)cc(Cl)c1	2244805529	YJRAUBRRPGJYFI-JTQLQIEISA-N	243.753	4.717	0	10	BJAE	
CCCC[C@H](CC)CSCC(=O)[C@H](C)CC	2246093266	WGWOPIXLWAIZPG-OLZOCXBDSA-N	244.444	4.551	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)CC1(C)CC(C)C1	2246538803	FWFYBZPJEXFWTC-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@@H]1CCCCC12CC2	2246603075	OTPWQQKJYYVGNQ-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCCCC[C@H]1C[C@@H]1C)NCC	2247128822	LZUMAVSBPHWQMU-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CCCC12CC2)NCC	2247606504	PDEXPECOSRUUSA-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](NC(C(C)(C)C)C(C)(C)C)C1	2247750661	MNLOFDAKIUBSDE-QWHCGFSZSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1CCC2(CC1)CC2	2250363344	ZVOGKXVMNBZDFT-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CC(C)(C)CCC1(C)C	2251665687	MHWAYKOVHWDFHY-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
C/C=C/CCCc1ccc2ccc(Cl)cc2n1	2252685232	DMEURLOEKMTLCQ-NSCUHMNNSA-N	245.753	4.787	0	10	BJAE	
CC(C)C1(C(=O)c2ccc3ccsc3c2)CC1	2253132375	FPRFKSGKZHLCCK-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
C[C@@H]1CC[C@@](CN)(CC[C@@H]2CCCCC23CC3)C1	2253837103	CPNZJEKWBYFBPG-OWCLPIDISA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H]1CCc2cccc(C)c2N1	2253869523	DPUBRXFZLMUUKS-PMPSAXMXSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2253930710	NSXJPNWBLDGTKM-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)C23CCC(CC2)C3)C1	2253939400	SFJQHSDCMPKKOT-UWEUSHKOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1CC1CC2(CCCC2)C1	2254112261	JDCKQZPCJNJDAS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C1=C(CC2(CNC3CC3)CCCCC2)CCCC1	2255098804	GCGPIFYOZVXCNT-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC(C)NC[C@H]1CCCC[C@@H]1CC1=CCCCC1	2255141968	VNRPEUFAWKXTOG-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)[C@H]2CC23CCC3)C1	2256418921	FUXBAQQWHXYABO-SLTXQBBLSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@@H]2CC[C@@H](F)C2)c1	2257959166	GXKCXELHQRNEPV-TZMCWYRMSA-N	249.373	4.534	0	10	BJAE	
Cc1cc(N[C@H]2CCC23CCCC3)cc(C)c1C	2258235430	BJFCQOHSMOPADO-INIZCTEOSA-N	243.394	4.747	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@]23CCCC[C@H]2CC3)C1	2260583164	NHCQAYUFFAQHRT-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C[C@]12CCCC[C@@H]1CC2	2260608013	SIKMJYSWDCTJIR-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@]23CCC[C@H]2CC3)CCC1	2260620532	PYWPXNZUIZNMBP-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H]1CCNc2ccc(F)cc21	2261337508	GKQCQOPWGIFAFC-TZMCWYRMSA-N	249.373	4.797	0	10	BJAE	
CC1CC(CC[C@@H](N)CC[C@H]2CCCC23CC3)C1	2261488658	IRUIJXDNWVEKPT-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1[C@H](C)C[C@H]1Nc1cc(C2CC2)ccc1Cl	2300674465	VBEZUAIIDKIBIO-ISTVAULSSA-N	249.785	4.674	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@@H](C)CC(C)(C)C	2300677647	BTJYVMAWMAOZIP-DZGCQCFKSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)CC1(C)CC1	2300685389	DZAFSVFZMVWXKS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)=CCCc1ccccc1C(F)(F)F	2300863287	NKPYJLGKXFDWNR-UHFFFAOYSA-N	242.284	4.994	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@@H]1CC=C(C)CC	2300926415	LQOUVWXQHYXAHY-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H]([C@@H](C)[C@H](C)C(C)C)C1	2301834818	BBKOGKIAFPQIJL-BARDWOONSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](N)CCC1=CCCCC1	2301907582	KKBXPFBGXGAFRT-DZKIICNBSA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)CCCC1=CCCCC1	2302342439	IPXICCNFBFUEQC-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
C[C@H]1CCC[C@](N)(CCCC2=CCCCC2)C1	2302352386	SVZCZTDKYZSNKK-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCCC[C@@H]2C[C@@H]21	2302831266	SPGUADFWVVMUJB-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCC[C@H]2C[C@@H]21	2302985383	BBLZMWUWMCLLAB-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC[C@@H]1CC[C@@H]1C(C)(C)C)NCC	2303469074	FBHPESQAUVUCRV-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CCCC2(CC2)C1	2307911744	XSIMEHCRUYMOJC-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)([C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309142272	DEKKQIPDVJCHOK-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CC[C@@H]2C[C@@H]2C1)C1CCCC1	2309167940	NEXMXWVHELUUOX-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309181400	ZNJBNFZJUBMJIQ-JYJNAYRXSA-N	248.410	4.908	0	10	BJAE	
C[C@@H](CC(=O)[C@@]12CCCC[C@@H]1C2)C1CCCCC1	2311128608	OWYJZMCOSBAMQL-YSVLISHTSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc2ccn([C@@H](C)CC3CCC3)c12	2313697226	BPQPHMFVMPKYHG-ZDUSSCGKSA-N	241.378	4.955	0	10	BJAE	
CC(=CC[C@@H](N)[C@H]1CC=CCC1)CCCC(C)C	2316500591	AXQKVJMCCFFYRQ-DLBZAZTESA-N	249.442	4.833	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316882490	ZMTSXOYSIZUZHK-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@@]12CCC[C@H]1CC2	2317961434	FOPDPVBYHMLZOA-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](N)CCC2=CCCCC2)CCC1	2317976234	WCFDFLHHCBMLGT-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
C1CCCCC(N[C@@H]2CCCC[C@H]3C[C@@H]32)CCC1	2319328391	FQMSVGCEKKLPIC-BHYGNILZSA-N	249.442	4.658	0	10	BJAE	
CCC1(C(=O)CC[C@H]2CC[C@@H]2C2CC2)CCCC1	2319692631	KGBGFQDKVZVOLB-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CCCC23CCCC3)CC1	2320412635	KIESBWOKKGMZRB-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CCCc1ccccc1N[C@@H](CC1CC1)C1CC1	2320695370	HNNYSYNDEZZQNC-KRWDZBQOSA-N	243.394	4.630	0	10	BJAE	
CC1(C)CC[C@H](CCn2ccc3ccccc32)C1	2321632732	HFZVOSJNFNMIBS-CQSZACIVSA-N	241.378	4.858	0	10	BJAE	
C[C@@H]1CCC[C@@H](C2(CNC3CCC3)CCCC2)C1	2326708052	CZDJQGBRQRFALE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)CC[C@@H]2C[C@H]2C)c1	2327793955	YAJQQCSMGXQEEW-CPUCHLNUSA-N	246.394	4.588	0	10	BJAE	
CCCCCCc1ccc(C[C@](C)(O)CC)cc1	2327893415	HIUMQFFAJABGLY-QGZVFWFLSA-N	248.410	4.513	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cccc2ccccc12	20548729	SXDOBYLHNAEIFN-CHWSQXEVSA-N	227.351	4.686	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc2[nH]ccc2c1	21054535	VXMBPTPVTVAUMI-OCCSQVGLSA-N	244.382	4.795	0	10	BJAE	
CCN[C@@H](CC(C)C)c1ccc2ccccc2c1	54441009	FGSFPQWTUKIOKL-KRWDZBQOSA-N	241.378	4.537	0	10	BJAE	
CCCCC[C@@H]1CCCC[C@@H](NCCC)C1	70746199	MXIHRPGDOWZSDJ-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
c1ccc(NC2(c3ccccc3)CCCC2)cc1	82712823	WMVFOGZUTDYPTO-UHFFFAOYSA-N	237.346	4.568	0	10	BJAE	
CCc1ccc(O[C@@H]2CCC[C@@H](CC)C2)cc1	85150837	QPVZQMZKQZJENE-GDBMZVCRSA-N	232.367	4.597	0	10	BJAE	
CCCCC[C@H](NCCC)C1CCCCCC1	87948021	FGCYPCWJBWOELO-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H]1CC[C@H](CC)C1	88018092	SAHGHQLMWAOYRX-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)N[C@@H](C)c1ccc(C)cc1	103982045	HVRZYJFTEZVMRL-AWEZNQCLSA-N	233.399	4.614	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)(C)C)C1=CCCC1	104001207	WDKPLLRXWUGEAI-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
Fc1ccc(C(F)(F)F)c(-c2ccccc2)c1	112734601	GJABYVSJRLECBB-UHFFFAOYSA-N	240.199	4.512	0	10	BJAE	
CCCCCn1ccc2cc(OC(C)C)ccc21	130315596	IABGHLXALIYSHC-UHFFFAOYSA-N	245.366	4.619	0	10	BJAE	
C/C=C\C=C(c1ccccc1)c1ccccc1	149373796	HWGWPEGAWRVLDA-IHWYPQMZSA-N	220.315	4.694	0	10	BJAE	
CCCC[C@@H](NCCC)[C@H](CC)c1ccccc1	158287086	YUNLFKAVOJHHSY-IAGOWNOFSA-N	247.426	4.739	0	10	BJAE	
Cc1cccc([C@@H](C)NC2CCC(C)(C)CC2)c1	160133634	FKDCZJDRAQBPNO-CQSZACIVSA-N	245.410	4.614	0	10	BJAE	
C[C@@H](CC(=O)CCc1ccccc1)CC(C)(C)C	164116667	YUJCXVOQUIGSSQ-AWEZNQCLSA-N	246.394	4.651	0	10	BJAE	
CCCC(=O)[C@H]1CCC[C@H](C(C)(C)C)CC1	211708679	VUNPUXYVVGZCFH-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)C/C=C\CCNCC(C)C	211886257	QAYNSBHOUXSFFE-HLRDLLSLSA-N	239.447	4.785	0	10	BJAE	
CCN[C@@H](C(CC)CC)[C@H](CC)c1ccccc1	228686155	URMPGSBRBDCLFX-SJORKVTESA-N	247.426	4.595	0	10	BJAE	
CC[C@H](c1c[nH]c2c(Cl)cccc12)C(C)C	233821449	HHSMDJBFFGNDCU-JTQLQIEISA-N	235.758	4.971	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1CC[C@H]2CCCC[C@H]2C1	253042126	LXMPJDNNCUKQEJ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](F)c1ccc(C(C)(C)C)cc1	260376746	DJXCDGNLJUCWLO-ZDUSSCGKSA-N	208.320	4.795	0	10	BJAE	
CC[C@H](C)[C@H]1CNc2c(Cl)cc(Cl)cc21	300225833	VDOMAAIQQHJQPU-OIBJUYFYSA-N	244.165	4.549	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1ccc(Cl)s1	300807757	FLIHEVIWWFAFTF-VIFPVBQESA-N	246.803	4.651	0	10	BJAE	
C[C@@H](CCCC(C)(C)C)CCNC(C)(C)C	300812886	GAHFTGCQEBUVEL-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)c1sccc1C	300887558	HBIAFWKHZARXDK-YPMHNXCESA-N	239.428	4.533	0	10	BJAE	
CCc1c(Cl)ccc2scc(SC)c12	306632832	CNKPRNKZMRLLBZ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1ccc(CC)cc1	308112458	PKRWWUQETKONPO-INIZCTEOSA-N	246.394	4.894	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@H](C)CC(C)C	310085685	AKLLKCRWWYMZLW-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1csc2ccccc12	319624848	BDEYOWRIWKAUIQ-MNOVXSKESA-N	246.375	4.766	0	10	BJAE	
CC[C@@H](C(=O)C[C@@H](C)CC(C)C)c1ccccc1	380654464	ORZQOSGRXLSVAS-GOEBONIOSA-N	246.394	4.822	0	10	BJAE	
C[C@H](C[C@H](O)CC1(C)CCCC1)c1ccccc1	381167007	AHCMLWKUOMELTC-ZBFHGGJFSA-N	246.394	4.512	0	10	BJAE	
Cc1ccc(OCC2CCC(C)CC2)c(C)c1	383698959	RZIQNFVATCSFHZ-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CCN[C@@H](C)C[C@@H](C)CC1CCC(C)(C)CC1	383900853	NPOFXSKMSCHFQD-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)c1cocc1C	385442252	HPXWMXSBBOSAOY-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CCCC1(NCC(CC)(CC)CC)CCCC1	395162094	JMAOSCDROJOLIL-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCc1ccc2cc(SC)sc2c1CC	396177465	MGHPNINVEVZSSR-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cc(C(F)F)c2sccc2c1S	396235564	HTNZBRSLCFFHRR-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CC(C)[C@@H](N[C@@H](C)CCC1CC1)c1ccccc1	398054033	XRIGHPOSWRDJEI-WMLDXEAASA-N	245.410	4.552	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C1CCC1)C(C)(C)CC	398697571	IXOFEPVYYMZALV-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](N)CCC1CCCCC1)C1CCC1	398724078	QTWSDGLCGOCMJA-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1	403506450	BAJRRSPAJZNYBU-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCC1CC1)c1cc2ccccc2s1	405843656	JMCCMVLZFOIQCO-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CC(C)(C)C1CC1	405913754	ZLUSDDWXKYPCNK-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CC(C)C1(CN[C@@H](C)CCC(C)(C)C)CCC1	687270145	WJNCOBPNLUSYIZ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(=O)[C@H](CC)CC(C)C)CC(F)F	688868118	MFLREWFEZDLTGC-NWDGAFQWSA-N	248.357	4.699	0	10	BJAE	
C[C@@H](C[C@](C)(O)CC1CCCC1)c1ccccc1	689869452	OZHKSDHCTXMBMA-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
CCCC[C@H](C)Nc1cc(Cl)cc(F)c1F	691001696	YGMIOFDQROQSRR-QMMMGPOBSA-N	247.716	4.609	0	10	BJAE	
CC(C)CCC(=O)c1cc2cscc2s1	694361322	OFEVRMNTJGLINV-UHFFFAOYSA-N	238.377	4.582	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCC1CCC2(CC1)CC2	695698407	FFNPPVJPCDBBKF-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(NC2CCC3(CC2)CC3)cc1	695962779	CQWJNUVUHBDGHQ-UHFFFAOYSA-N	243.394	4.774	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CCC1CCCCC1	696178815	TYSJKWJJMIUYBL-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1CCCCCCC1	696571786	KPPJTRHIXFCZOE-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C1(C(C)C)CC1	697645131	ICIWLWWHIGILKO-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C1CCC(C(C)C)CC1	701048143	QIBYAFCRERUDKH-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H]([C@H](C)C1CCC1)C(C)(CC)CC	701251482	BGTMMLYXZNUDTQ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1[C@H]2CCCCC[C@H]2C12CCCCC2	701903367	NVGZHNQMAUGTKM-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)c1cccs1	704902212	LTSOOAAFTJWIQD-CQSZACIVSA-N	239.428	4.529	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)C12CCC(CC1)CC2	710048082	RXOMMHSSKKDINB-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@@H](c2ccccc2)C(C)C)cs1	710709564	FZNJWHQLKZTQMX-OAHLLOKOSA-N	245.391	4.866	0	10	BJAE	
CC[C@H](CC(=O)c1sccc1C)C(C)(C)C	711079686	HITOHGNLPUEGAQ-LLVKDONJSA-N	238.396	4.702	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)C[C@H](C)CC(C)(C)C	713218547	WMJJGIUMOCUWDU-UONOGXRCSA-N	241.463	4.848	0	10	BJAE	
CC(C)C(C)(C)CC(=O)CCCc1ccccc1	713370903	KYFLEYFFOLXFQR-UHFFFAOYSA-N	246.394	4.651	0	10	BJAE	
C=C/C=C\CC[C@]1(CNCC(C)C)CC[C@@H](C)C1	713748948	SSEKKQITWHZBHK-SEDCNLEPSA-N	249.442	4.561	0	10	BJAE	
C=C/C=C\CCCc1ccc(C(C)C)cc1	713755403	YUMTZZMKRORAEJ-WAYWQWQTSA-N	214.352	4.875	0	10	BJAE	
O=C(c1ccsc1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714433398	KLGGPBHFKMNLFC-FPMFFAJLSA-N	248.391	4.537	0	10	BJAE	
C/C=C/C[C@@H](C)c1ccc(SCC)cc1	714553188	DKGWXSXPMSWAIP-FVOPLDGLSA-N	220.381	4.868	0	10	BJAE	
CCNC[C@@H]1CCCC[C@@H]1CCC(C)=C(C)C	718498206	WBDYEWDOMKQQOU-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1c(C)cc(C)cc1C	718628295	ZSHAKPJERNRJIG-INIZCTEOSA-N	245.410	4.748	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)C1(C)CCC1	720709347	SYBMJNUXBDWBKS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCC2(CC2)C1	723599398	KUMXZGFTXYOSHZ-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CC[C@H](NC[C@H]1C(C)=CCC[C@H]1C)C1CCCC1	1560831531	LINBBWIVRKPULE-PVAVHDDUSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@H]1CCC(C)(C)C1	1902280340	QFMHCNKQHZHJGK-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CCC=Cc1ccccc1)NC	1912062043	LBXNZJMRGDBPJU-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@H](C=C(CNC2CC2)C(C)C)C1	1912079939	XLNYTBQOISWSGX-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)C1CC2(CCCCC2)C1	1912634254	LEBGDFJUGYXYQN-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
O[C@H]1CCCCCCCC[C@@H]1CCCC1CC1	1913429615	CKPSRTCPOAJDEX-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(OCCC2CCCC2)c(Cl)c1	1936606521	WJGGDPZINNWMEU-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1CC1(C)CCCCC1	1940417192	VOXYYJLRSRMCBL-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)C(=O)CC1CCC=CCC1	1941791671	LUEOTUMSOUVXME-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CC(C)c1csc(-c2ccc(C3CC3)cc2)n1	1941963929	YUOWHDPIRIHOAE-UHFFFAOYSA-N	243.375	4.811	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]([C@H](C)CCC(C)C)C1	1942657609	FKCMOBKCJXHXJV-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)C1(O)CCC(C(C)C)CC1	1942660253	KKKRHYBVAXIEDM-QQFBHYJXSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)C(C)(C)C1CCCCC1	1944666745	VGTXEUFONQCNFC-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1CCC[C@@H]1C	1944842342	JFAIFOMTYPUPAF-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC[C@H]1CCC(C)(C)C1	1945594212	SWLSLYCJINUXFY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@@H](C)CC(C)(C)C	1949017734	LPUIASZCVJTCBU-KGLIPLIRSA-N	241.463	4.993	0	10	BJAE	
Cc1cc([C@@H](N)C[C@@H]2C=CCCCC2)c(C)s1	1949125327	VQYCAVOBRIZUOJ-HIFRSBDPSA-N	249.423	4.501	0	10	BJAE	
CC(C)=C(C)CCC[C@H](O)CC1CCCCC1	1949923054	OUZLBDOWNAIHKG-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CC=CCC2)CC1	1950926119	ZVRRWPXBRQLRHH-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCc1c(C)cccc1C	1963172527	BOKZOIINXRMWNV-BBRMVZONSA-N	247.426	4.608	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCC[C@@H](CC)CC1	1967708734	SRDYVGIOFNZESC-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
CC(C)C[C@H](C)CN1c2ccccc2CC[C@H]1C	1968429170	ALDPNZYQGZSWGR-LSDHHAIUSA-N	245.410	4.510	0	10	BJAE	
CCCCN(Cc1ccc(C)o1)C1CCCCC1	1970380345	RFDUOOCYBABUTC-UHFFFAOYSA-N	249.398	4.523	0	10	BJAE	
CCC[C@H]1CCCCN1C[C@H](C)CC(C)(C)C	1970607270	UJCWCGMGTQJYTF-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CC=CC[C@](CC)(CCCC)CNC(C)C	1978655304	XZCULOVXKZOFRH-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC(C)=CCCC[C@H](O)c1cccc(Cl)c1	1980682193	RSCBAXVVSXFTCK-AWEZNQCLSA-N	238.758	4.510	0	10	BJAE	
CCC[C@H](C)[C@@H](N)C1(C)CCCCCCC1	1981415768	INYSFBXZKSPBOW-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CC=CCCCC(=O)C1(C)CCCCCC1	1984576049	VVPUPSAHOSEYTM-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
FC(F)c1cccc(CC[C@@H]2C=CCC2)c1	1988322188	VUHIGVASDVNAMB-LLVKDONJSA-N	222.278	4.523	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)CCC=C(C)C	1988788042	YLCNCLLAABFASQ-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CCC(C)C)NC	1995258429	DNRDSNKWFWEOOR-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](c1nc(C[C@H](C)CC)cs1)C(C)C	1995461558	MNQSDQLQSFHWQT-YPMHNXCESA-N	239.428	4.881	0	10	BJAE	
CCC(F)(F)CC[C@](C)(O)C1(C)CCCCC1	1995985059	GCIMXISXNUHAKM-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC[C@@](N)(C1CCC(C)(C)CC1)[C@H](C)C(C)C	1996584446	ACKMWNVONJKKCC-CJNGLKHVSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CC[C@H](C)C2)CC1	1997106733	XFZINMIVCMRBHJ-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@]1(C)CC=CCC1	1997552440	RDFGXSHPXLOYQI-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@](C)(O)C1CC(C)(C)C1	1998654616	LQTVODUYFXLICT-LRDDRELGSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](c1cccc(N)c1)[C@H]1CCCC(C)(C)C1	2000163251	QWKIESBKVSAUAZ-JSGCOSHPSA-N	231.383	4.589	0	10	BJAE	
CN[C@H](CCCC1CC1)C1(C)CCCCCC1	2000323367	LLMXYOYZKOXQRB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1([C@@H](NC)C2CCCCCC2)CCC1	2000331159	DGJBMZAJVIKAPI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](C)(CCC=C(C)C)CNCCC	2000517780	HGGRFLXLMYKFGP-MRXNPFEDSA-N	239.447	4.929	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)C1CC(CC)C1	2002310109	ZREUSZZPZQNPNN-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@]1(C)CCCCC1(F)F	2002583970	WFZJGQFMKJFTAK-AAEUAGOBSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](C)[C@@H]1NCC	2002889505	VJCNFMJGLDOYAL-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H](C)[C@@H](C)CC)CC1	2002926228	OWXNPAXWSOMTPY-GJROSEKXSA-N	239.447	4.616	0	10	BJAE	
CCC1CCC([C@@](C)(N)CC2(C)CCC2)CC1	2002929504	MWOWOIYJVYHUKV-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCCc1nc(-c2ccccc2)cs1	2004189763	BQINOWAIVBPBOG-UHFFFAOYSA-N	243.375	4.709	0	10	BJAE	
CC1(C[C@@]2(CO)CCCCC2(C)C)CCCC1	2005586490	OHONECRAOKKFGM-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)c2sccc2C)CCC1	2006911718	CSLZPZLQIDTOAZ-ZIAGYGMSSA-N	249.423	4.596	0	10	BJAE	
CCC1CC(C[C@]2(N)CCCCC[C@@H]2CC)C1	2007749751	PSLOQXVUZBXWGV-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
CCC1CC(Cn2ccc3c(Cl)cccc32)C1	2007768312	YEWCCFFLTLKSJL-UHFFFAOYSA-N	247.769	4.731	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC(CC)CC)[C@@H]1CC	2009250601	XYQINHYWRSBGOC-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C	2009594754	SWTJQELSFGIMTG-COSBLLOGSA-N	238.415	4.556	0	10	BJAE	
Clc1cccc(NCC2CC(=C3CCC3)C2)c1	2011085381	OOGCLMIUEOHLMQ-UHFFFAOYSA-N	247.769	4.642	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C1=CCCCCCC1	2013296707	NMKRCPZGIZTMML-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1C(C)=CCC[C@H]1C	2013536038	TWILAYULFRHGMX-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC1CC(O)(CCCC2CCC2)C1	2014667709	FJDOZPVFYCQXLV-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(CC[C@@](C)(N)CC1CCC1)C(C)C	2015361414	UJERGDBZNFLDIA-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(C)c1OCC(C(C)C)C(C)C	2015384122	RMKKFGVWHOOVQV-UHFFFAOYSA-N	234.383	4.610	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)[C@H]1CCCCC12CCC2	2015386356	BZAVDKUUEDSSAW-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@H](C)C[C@@H]2C)CCC1	2015641432	FELJVYMCCXSOMZ-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](NC)C1(CC2CCC2)CC1	2015784450	RBWAHXNXGGWPGD-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](CCC(C)C)NC)CC1	2017655391	MPICBIJQLFSBBZ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](C[C@H]1CC[C@H](CC)CC1)NC	2017720568	HODVPCBCPMHLRH-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CC2CCC(C)(N)CC2)CC1	2017731422	RESDDTOBCFELNA-MSBXVQKDSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@H](C)CC[C@H]1CC[C@H](CC)CC1	2017731735	VDZFSSNWUQVHEZ-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(C[C@](C)(N)C=C(C)C)CC1	2017770521	HVUCZXDJAQEZDE-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](CC)N(C)CCC(C(C)C)C(C)C	2018188300	LPWJYIDTNWSXGS-OAHLLOKOSA-N	241.463	4.815	0	10	BJAE	
CC(C)CCCCCN(C)[C@H](C)C1CCCC1	2019344572	OVGVEHZPBAPUEU-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N(C)C1CCCCCCCC1	2019383772	FJPFSFHTYLLEKV-HUUCEWRRSA-N	239.447	4.856	0	10	BJAE	
CCC[C@H]1CCCCN([C@@H](C)CCC(C)C)C1	2019409487	QZPCLBAFRKSTJP-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@H](NCC)C1CCC(C)(C)CC1	2020965261	KQEHTHJRTHDNJS-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CCC[C@H]1CCCC(C)C	2024000950	NPAFKSJEGATGBI-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H](CC1CC(CC)C1)NCC	2025431334	DZOGOLJEYFRRDM-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CC[C@@](O)(CCCCCC2CC2)C1	2025571592	CMMQJWFGJIABKY-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H]1C[C@H]1CC(C)C	2027028424	IRPCVOJKMILIFV-IKGGRYGDSA-N	249.442	4.559	0	10	BJAE	
CCc1ccc(C(=O)CCC[C@H]2CC2(C)C)cc1	2027842532	JFUGWUFXPRPPII-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
C[C@H]1CC=CC[C@]1(CN)CC1CCC(C)(C)CC1	2027924062	QXPYDFCEONXLMF-WMLDXEAASA-N	249.442	4.524	0	10	BJAE	
CCCc1ccc([C@@H](NC)[C@H](CC)C(C)C)cc1	2028253470	XDMBCTFSFHPBKI-IAGOWNOFSA-N	247.426	4.582	0	10	BJAE	
CCC(C)(CC)CNc1cc(C(C)(C)C)ccn1	2028353879	QNSDFZIAYPINQH-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)c1ccc(C2CC2)cc1	2028590045	GCBWSYLOPTXTHN-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)c1ccc(C2CC2)cc1	2028594365	WKQYKXANFUCBEG-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCC1CCC(C(=O)CC2[C@@H]3CCCC[C@@H]23)CC1	2032779328	WOKPAFNINVCLCE-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CC(C)(CN[C@@]1(C)CC=CCC1)C1CCCCC1	2034018960	PGHSZKXOMFXCSN-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](C2C(C)(C)C2(C)C)c2ccccc2N1	2034040520	WWHCNDKKWJBNJD-WCQYABFASA-N	243.394	4.657	0	10	BJAE	
Cc1cccc(F)c1NC1C[C@H]2CCCC[C@@H]2C1	2034143725	GPARDDXNFNRCAO-CHWSQXEVSA-N	247.357	4.515	0	10	BJAE	
CC[C@H]1CCc2ccc([C@@H](C)CC)cc2C(=O)C1	2034185495	YUKNVAKOGQAIMS-STQMWFEESA-N	244.378	4.745	0	10	BJAE	
CCCc1ccc([C@@H](N)C2(CCC)CCC2)cc1	2037053951	HDJBHFMQDPLNCG-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
O=C(CCC1CCCC1)[C@@H]1CCC2(CCCC2)C1	2037673564	XLWGWZXRWZNGMG-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CCC2(CCCC2)C1	2037679639	SSWKTNMKURTKRE-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(NC[C@H]2CC23CCCCC3)cc1	2039058482	MZYRLZNWYUCMBI-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
CCN[C@H](c1ccc(C)c(C)c1)C1(CC)CCC1	2039720357	RAGVDYPDQHNSDK-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@](N)(CCC1=CCCCC1)C1CCCCC1	2040650737	LTPOZEPLJDTBCT-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cccc2ccccc12	2040723142	GKOOFXVMPNDAAM-MRXNPFEDSA-N	242.362	4.700	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@H](C)c1ccoc1	2043062866	RDXGGTMZAQWJOB-KBMXLJTQSA-N	249.398	4.535	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1NC[C@H]1CCC=CCCC1	2045317778	OSSBPLPWIOIAQU-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CNC3(CCCCC3)C2)C1	2045514938	XSZFMGCSWNYBFM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C1CC1)[C@H]1CCCC2(CCCCC2)C1	2048128891	WSLIKLQEMOBCKC-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CCC3(CC3)C2)CC1	2049848201	HSKQTKSBBUZFBC-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C[C@H]1CCC2(CC2)C1)CC1(C)CCCC1	2049848253	IBIFZYRZENUUNQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC(C)=C(C)C)c1cccc(C)c1	2050455775	JFSFPHNGFSWEBK-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C12CCC(CC1)CC2	2051401770	MRCZZLMJAANARC-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)NC[C@]1(C2CCC2)CCCCC12CC2	2053358259	KBCJNJLTFDWSRK-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CC=CC1)C1CCC(C)(C)CC1	2053666471	FZBBQVGCAZHVQG-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1cnccc1C(C)C	2053854525	UDFRLKCQKPTLTD-HIFRSBDPSA-N	246.398	4.586	0	10	BJAE	
CCCN[C@H]1C[C@H](C[C@@H]2C=CCC2)C[C@@H](CC)C1	2055039528	PGCBPAXRPBYOMH-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@H]1CCCC(C)(C)C1	2056875472	GZOZHWHLJWRVJK-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)C1CC(C(C)(C)C)C1	2056884184	SFKQVKHNGBYMSP-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NC)C1(C)CCC2(CC2)CC1	2059267975	UNIHFPGBQKVAMJ-MBVDDHJVSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)[C@@H](C)C1CCCC1	2061148930	YTLDKMTXCVGCEX-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc2c1ccn2CC[C@]12CCC[C@H]1C2	2061604382	ZCWOCSHQOPJKGN-YOEHRIQHSA-N	239.362	4.530	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC1CC(=C2CC2)C1	2061726988	WUZINJUGBGRKSF-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(N)CCCCCC23CC3)C1	2062021356	UTSWYGBGOJOPMU-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@H](N)C2C[C@H]3CCC[C@@H]3C2)CCCCC1	2063510016	NIQBDBIQDSPQJT-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NCC12CCCC1CCC2)C1CCCC1	2063906004	RYGDEMACQSDHBF-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cc(O)c(C)cc1C	2065986846	DUSBFXWJXNFHKD-AWEZNQCLSA-N	249.398	4.636	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CCC2)C1)[C@@H]1CCC1(C)C	2068338489	ZDCQXVJXRPKFLT-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)C)c1ccccc1C1CC1	2068820291	PZUDLQODIUVRJN-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)C[C@@H]1CC12CCC2	2069174880	LXIZTYKWZZMNLY-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1(C(=O)C[C@]23CCC[C@@H]2C3)CCCC1	2070954596	JCNKEUCWWUTZPS-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@]1(N)CC[C@H]1C1CCC1)C1CCCCC1	2071788229	TXQWFFKMVJBIHT-XOKHGSTOSA-N	249.442	4.501	0	10	BJAE	
CC[C@](O)(CC1(C(C)C)CCC1)c1ccccc1	2071897498	PSTAAUMBVHEISR-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CC1CCC(CN2CCC23CCCCCC3)CC1	2074859964	OPWDLQXGKKHKNW-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C[C@@H]2CC=CCC2)CC1	2075167606	KBQORWPOGHRTSF-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
O[C@@]1(CCC2=CCCCC2)CCCC12CCCC2	2075719223	ZEQLHLYSALMWQA-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1C[C@H]2CCCCCC[C@H]21	2077195798	IURNITMCYFMVDL-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CCC3(CC3)C2)cc1	2078345513	DJCXQDPGOOENMT-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@H]1C[C@H]1C1CCCC1	2079488793	VVPBVWIDPDLTSF-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@H]1C[C@@H]1C1CCCCCC1	2079526420	FJLNEMRRPAAQFL-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCCC1CCC1)[C@H]1C[C@H]1C1CCCCC1	2079839366	SNYSYNJXPFPIBG-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC1(N)CCC2(CCCC2)CC1	2079870181	JYPSYIYPAJHLSN-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCC1C[C@@H]2CC[C@H](C1)N2[C@@H]1C=CCCCCC1	2084425101	PFZWPOUQENBQFP-IFFAKLHKSA-N	247.426	4.528	0	10	BJAE	
Cc1sc(C=O)c(C2=CCCCCC2)c1C	2211907947	KGKPQDYDJQZWOY-UHFFFAOYSA-N	234.364	4.525	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@H]1CC	2212650040	VGJLASDRKLMKLM-ZWNOBZJWSA-N	237.774	4.503	0	10	BJAE	
CCCC[C@@H](CC)NCCCCCCC1CC1	2213575884	KIQDVMCRQINPGU-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
Cc1ccoc1C(=O)CCCCCCC1CC1	2213580211	KEJWHVNQNQSPDW-UHFFFAOYSA-N	234.339	4.521	0	10	BJAE	
O[C@H](CCCCC1CC1)C1CCCCCCC1	2214562017	CNPRMTFPFAAVET-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@H]1CC)CC(C)(C)C	2215252388	QBRZUPUYMLYBOU-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1(CCC(C)(C)C)CC(C)C1	2217123823	BRMMYIVXSGZUOM-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](C)(CNC1CCC1)C1CCCCCC1	2217142446	WJCZXWNSLYMAPG-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@]1(CN[C@H](C)CC)CC=CC[C@@H]1C	2217143031	YNBGCYGUTURPGS-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218386375	ULYAYRYMLQJABP-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)c1ccoc1C	2218718705	QJXCVMBCCBGLBQ-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
N[C@H](CC[C@H]1CC2CCC1CC2)C1CCCCC1	2220290989	OBKUPVFPIPEYKY-YQEWQEHLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C(C1CCC1)C1CCC1	2220964017	VVCUJLQQSJUQPK-DOMZBBRYSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@@H](N)CC2(C)CC3(CCC3)C2)CCCC1	2221023414	RDGICQMFXZECBL-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CCC[C@@H]2CC2(C)C)CC1	2221615281	KRFCOLVQHRAMFL-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C[C@@H](C)C1CCC1)[C@@]1(C)CC=C(C)CC1	2221616829	VZSDCIOOUAZTMA-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@]1(C)CC=C(C)CC1	2221618827	LLJPRPSXNORJAY-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
C[C@](N)(CC1CC1)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222949932	TXHDGAJJLJCWPS-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@@H]1C[C@H]1C1CC1	2223157586	GWLPAOZXDSRGRH-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@]1(CCC1CCCC1)CNC1CCC1	2223553680	CQKVZASLFRLAQH-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1csc(C)c1C	2242618536	FDDZLTBEUHZFAO-CQSZACIVSA-N	239.428	4.581	0	10	BJAE	
Cc1cscc1NCCCCC[C@H]1C[C@H]1C	2243922309	PCQGKKHVUWIWBQ-YPMHNXCESA-N	237.412	4.685	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1cc2ccccc2s1	2246854022	KCUAHFMZVZMITN-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
CC(C)c1ccc(NCC2=CCCCC2)cc1	2247492294	GPMGOYDBCGSUJD-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CCCCCCC(=O)CC[C@H]1CCCC12CC2	2247642373	BNTYVMOLOCNQGI-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
O=C(CC1CCCCC1)c1csc(C2CC2)c1	2248074572	QIFHTZBWUVWJMN-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CCC1(C(=O)c2ccc3ccsc3c2)CCC1	2253094663	ZSOJRNJPTMGABL-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
NCC[C@@H]1CC[C@H](CC[C@H]2CCCCC23CC3)C1	2253886970	QQBAWOKUQLTQGX-OWCLPIDISA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](NCC[C@@H]1CCCCC12CC2)C1CCC1	2253888896	IQWSZYNBZADXGE-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)CC1CC2(CCCC2)C1)C1CCC1	2254115554	PWCOPLHRHLZQER-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc2ccn(C[C@@H]3CCC3(C)C)c12	2254971149	BZEMAQWXINSZTF-HNNXBMFYSA-N	241.378	4.640	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@H]2CCCC23CC3)[C@@H]1N	2255263951	MUNHMXCXOGORPO-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
C[C@]1(CN)CCC[C@@H]1CC[C@@H]1CCCCC12CC2	2258813396	JAXSSDKFFYNNGK-OWCLPIDISA-N	249.442	4.502	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@]12CCC[C@H]1CC2	2260486213	BQDZVFLJNZFWGY-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@@]23CCC[C@H]2CC3)CC1	2260486715	DBBNPKKBILNRFK-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(C[C@@]23CCCC[C@H]2CC3)CCC=CCCC1	2260645220	HCLZAOXXBQGPTP-YESZJQIVSA-N	247.426	4.565	0	10	BJAE	
CC1CC(CCC(=O)C[C@]23CCCC[C@H]2CC3)C1	2261503180	HIEIXQZVVMLHSN-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCCC(C)=CCC(C)(C)CN(C)C	2297473511	WKEGNKOFLJKAJS-UHFFFAOYSA-N	237.431	4.657	0	10	BJAE	
CC[C@H]1CC=C([C@](C)(N)CCCC(C)C)CC1	2300500297	FDTCADCUHMFZPT-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CC[C@H]1CC1(C)C	2300875494	VXXGHOAOQPXZJH-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H]1CC(C)(C)CC[C@@H]1CC=C(C)CC	2300899887	SBHQLTNRDZKEPK-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@H](O)CC2CCCCCC2)CCC1	2301130724	BBMNEXFZXFMWRZ-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
NC[C@H]1CCCCC[C@H]1CC1CCCCCC1	2301184495	ASHQGSHFKQZSOG-JKSUJKDBSA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C[C@@H]1CCC(C)(C)C1	2302682708	LVJHQXDCQVAGJW-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@H](C)CC(C)C)CC1	2303574651	BHGPJSGARVEDLE-BZUAXINKSA-N	237.431	4.523	0	10	BJAE	
Cc1ccc(-c2nc([C@@H]3C[C@@H]3C)cs2)cc1C	2307682711	GVZWJYMINJNJDX-WCQYABFASA-N	243.375	4.550	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CC[C@H](CC)CC1	2307894829	ODEVKTQXKAWQBH-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2C[C@H]2C2CCCCCC2)CC1	2311607044	STFQGSKTAAGFNJ-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@H]1C[C@@H]2CC[C@H]1C2	2312937277	GBMHUSNCQUZGFG-FXUDXRNXSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C(CC2CC2)CC2CC2)C1	2313607955	HFXHZWUQFRPBKU-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]([C@@H](C)CC1CC1)[C@]1(C)CC=C(C)CC1	2313696973	ZXFZJCZOMYLKEF-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCC[C@H](NC)c1ccc(C)cc1	2316250314	BVIXYNNFGHDIGJ-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CCC(CC)CCc1ccc2c(c1)CC[C@H](C)N2	2316266063	HTXXEUFRADQXDF-ZDUSSCGKSA-N	245.410	4.802	0	10	BJAE	
CCc1occ(C)c1[C@H](N)CC1CCCCCC1	2317004921	RECJATVSMGKEJA-CQSZACIVSA-N	249.398	4.511	0	10	BJAE	
C[C@H](CC1CCCCCC1)[C@H](N)c1ccccc1	2317009193	WIFOPQVIHOXVLS-PBHICJAKSA-N	245.410	4.683	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@@H]1CC[C@H]1C	2317905643	XXZCGDNRJBHHHA-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C[C@@](N)(CCCC2=CCCCC2)C1	2318572438	FJOKPOOMGAHEAY-DOTOQJQBSA-N	247.426	4.731	0	10	BJAE	
CCN[C@@H]1CC[C@@](C)(CCCC2=CCCCC2)C1	2318582628	FTIPHZACJBZJQV-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@@H]1CCC(C)(C)C1	2319131710	RGMKRDCUQDULPI-OFQRWUPVSA-N	248.410	4.764	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cc(F)ccc1C1CC1	2319176033	MNCNSTADGXLHNN-HNNXBMFYSA-N	249.373	4.529	0	10	BJAE	
CCNC[C@]1(C[C@H]2CCC(C)(C)C2)C=CCCC1	2319288973	NVSTUFWBDGXAPA-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCC3(CCCN3)CC2)C1	2319320910	QOERMQOKSOLBDH-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1NC1CC2(CCCCC2)C1	2320143199	GYABXJNGCIMLAL-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(NC[C@@H]2CC[C@H]2C(C)(C)C)c1F	2320252574	BLFXGAILYSEZBO-QWHCGFSZSA-N	249.373	4.618	0	10	BJAE	
Cc1cccc(OCC[C@H]2CCC(C)(C)C2)c1C	2321610589	IUZCPUYNXIBBDG-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
CC1=CC[C@](C)(NCC[C@H]2CCC(C)(C)C2)CC1	2321628308	QONWMAYSZUWADN-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)CCCc1ccccc1	2328281515	INTCVSZZXNBRCE-DOTOQJQBSA-N	248.410	4.587	0	10	BJAE	
Cc1ccc(C)c2[nH]c(-c3cccs3)cc12	1516952	CHWKLFDSGRPZII-UHFFFAOYSA-N	227.332	4.513	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCC[C@@H]1C	20306124	SRKZXOROCULIKZ-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc2c(c1)CCC2	20520021	VHGPAKJXJXGTPB-CQSZACIVSA-N	245.410	4.946	0	10	BJAE	
Cc1ccc([C@H](C)NCCC2=CCCCC2)cc1	20545138	UFJHLTFCWAVKFV-HNNXBMFYSA-N	243.394	4.536	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1C	20555604	UQIRIHLCEMFMTB-WBMJQRKESA-N	245.410	4.930	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)CCC(C)C)cc1	21797443	WERFHFVYWVARPU-XJKSGUPXSA-N	233.399	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)c1cccnc1	34519899	DCNHHEKYZFLGIF-CQSZACIVSA-N	247.382	4.507	0	10	BJAE	
C[C@@H]1C[C@@H]1C(=O)c1ccc(C2CCCCC2)cc1	37358543	YVCNOPWNIINGDB-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)c1ccsc1	71085207	APEAJJGWDQAUDI-TZMCWYRMSA-N	239.428	4.615	0	10	BJAE	
Cc1ccc2c(ccn2[C@H](C)c2ccccc2)c1	75233500	LIQOIOMTBVHTIU-CQSZACIVSA-N	235.330	4.559	0	10	BJAE	
CC(C)(C)CC(C)(C)N[C@H]1CCCC(C)(C)C1	79976055	WJJPXNDEWLNVAU-ZDUSSCGKSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)[C@H](C)CC	87172844	JLROASPUBLJZBJ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](N)C1CCC(C(C)(C)C)CC1	87987049	ZPRZPICNBGQIJX-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
CCCc1ccc(C(=O)[C@H]2CC[C@H](CC)C2)cc1	88011127	WPFJFRWDBBTVBD-BBRMVZONSA-N	244.378	4.648	0	10	BJAE	
CCC(CC)(C(=O)CC1CCC1)c1ccccc1	88133874	DCWOJUYWQXQBDU-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC[C@H]1C)C1CCCCC1	88508245	ALWRFQFXRKPJSM-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
C=C(/C=C/c1ccccc1)/C=C/c1ccccc1	90188710	GKTRPKKUJPPWID-QUMQEAAQSA-N	232.326	4.969	0	10	BJAE	
C=C1C2=CC=CC=C(C2)C(=C)C2=CC=CC=C1C2	104952720	RGWOSRBWFUXUPC-UHFFFAOYSA-N	232.326	4.738	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(C)cc1OCC	109909234	HKARASOTZVPFMW-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(CC)CNC1CC1	110211009	IRXBOWIMCSQTBZ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](N)c1cc(C)cc(Cl)c1	124908265	BBPXGRKKLUPVBU-AWEZNQCLSA-N	239.790	4.619	0	10	BJAE	
Fc1ccnc(-c2cccc(-c3ccccc3)c2)c1	149958413	DWDHEZLFDIGKHE-UHFFFAOYSA-N	249.288	4.555	0	10	BJAE	
Cc1ccc(C(=O)C2C[C@@H](C)C[C@H](C)C2)c(C)c1	166022151	DBGNDGPFPJEBSK-STQMWFEESA-N	244.378	4.558	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2CCCCC2)cc1C	166180829	FVVNFFHNNYHEEQ-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CCC1CCC(C(=O)c2cccc(C)c2F)CC1	166200471	YOFAOKWEFJAVBN-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
Cc1ccc2cc(C3CCCCCC3)[nH]c2c1	216297725	IKESGZGVAYCGKD-UHFFFAOYSA-N	227.351	4.914	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CCC	217764560	SDXBKZUVEFLNCS-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)c1cccc2ccsc12	226794390	XBNDKKTWBXZKAK-PWSUYJOCSA-N	244.359	4.520	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H]1CCC[C@@H](C)C1	227504564	BGCKFVRLYKTMRL-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CCc3ccccc3N2)C1	251635040	FQOBALRKVFZQRT-UKPHBRMFSA-N	243.394	4.630	0	10	BJAE	
Cc1cc(C(=O)CCC(C)(C)C)sc1Cl	300876694	NZMFAUCYLKRRAL-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)c1ccsc1	300951932	XIWMWBKRRFYXLE-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CCc1ccc(CC)c([C@H](N)CCC(C)(C)C)c1	302407626	RJHPFTDNHHDRKM-MRXNPFEDSA-N	247.426	4.638	0	10	BJAE	
CC(C)c1cnc([C@H]2CCCC(F)(F)C2)s1	304182029	WTSQVYJODWEQCE-VIFPVBQESA-N	245.338	4.559	0	10	BJAE	
CCCN[C@H]1CC[C@](C)(CCCC(C)(C)C)C1	305931910	PAUNEZTXSJFWFV-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C[C@@H]1CCC[C@H](C)C1	308032229	PJQMRYVTOKIIQV-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)Cc1ccccc1	310476798	CJXAVSDMNXDRQA-RDJZCZTQSA-N	247.426	4.553	0	10	BJAE	
CCC1([C@H](N)CC2CCC(C)CC2)CCCC1	310480639	DRZKMOLXJPJCFL-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](N[C@@H](C)C1CCCC1)c1cccc(C)c1	310797699	SGVFJOREVPKCST-YOEHRIQHSA-N	245.410	4.614	0	10	BJAE	
CCNC[C@@]1(CC(CC)CC)CCCC[C@H]1C	317498565	LFQIQTKOFJVAES-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC([C@H](O)[C@@H](C)[C@@H](C)CC)CC1	318701703	DPDVTJABGLFCHH-RKVQBDSKSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)[C@@]1(N)CCC[C@@H](C(C)(C)C)CC1	319537785	FQNBDWLVYRQZBY-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@@H](C(=O)[C@@H](C)C(C)C)c1ccccc1	320081533	XSPLLWSBIKKYEP-OFQRWUPVSA-N	246.394	4.678	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(O)CCC(C)(C)C	379729054	FYIATUAQNYXAGX-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)C[C@@H](C)C1CCCCC1	380036284	QNXUVADRRIKJPN-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CCC[C@H](N)c2ccccc2)CC1	380920759	CWVAMFWIMFZWNN-DQPZFDDXSA-N	245.410	4.683	0	10	BJAE	
CC[C@@H]1CC[C@@H](O)[C@@H](CCCCCC(C)C)C1	383185788	VRWNKTDBAZKVMA-OWCLPIDISA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)CCCCCC(C)C)c1	383465810	BPKQRWQGTWWCMT-KRWDZBQOSA-N	248.410	4.943	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1nccc2ccsc12	384695501	XVKBSBWIZRMNLI-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCCC[C@H]1C	384977915	JEFZCSGPUDDRGD-ILXRZTDVSA-N	238.415	4.988	0	10	BJAE	
CC1CCC(C[C@H](C)[C@@H](N)c2ccccc2)CC1	385260761	VNCUBCRYPOVJAI-KXJMLMMSSA-N	245.410	4.539	0	10	BJAE	
Cc1ccsc1C(=O)CCC1=CCCCC1	385834820	UUBACCKJSWMDRD-UHFFFAOYSA-N	234.364	4.520	0	10	BJAE	
CC(C)C[C@H](C)/C=C1\CCC[C@@H]1[C@@H]1CCCCN1	386279519	NSMRFZKRXKIUKB-HGUGKSJVSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC(C)(C)CNCCC1CCCCC1	391178550	HUDZVHMBXYNWGW-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](CC1CC1)NCC1(C)CCCCCC1	394604331	OTMKJGIIFXOXDK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](O)([C@H]1CCCC[C@H]1CC)C(C)(C)C	395416407	KCZBRDZOZAJESP-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CCc1c(C(F)F)cc(S)c2sccc12	396232566	AKNFPMLRMPHCPF-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCOc1csc2c(C)cc(C(F)F)cc12	396234780	FHCPMCKIYBIPCL-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1c(C(F)F)cc2ccsc2c1F	396249399	QLCOZGVDNXLCNM-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC(C)(C)c1ccccc1	686655848	ZLUJCGIHUJNROU-GOEBONIOSA-N	248.410	4.542	0	10	BJAE	
CCC[C@@]1(CCCC2CCC2)CCCCCN1	688357591	URQBZJQGPQKHSV-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CCCC1(C(=O)c2cccc(C(C)C)c2)CC1	688982705	FAWPXDARURZYDB-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCc1cc(N[C@@H]2CCCCC[C@H]2C)ccc1C	691152016	OYTUUMNXUYJODL-RHSMWYFYSA-N	245.410	4.938	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C1CC2(CCC2)C1	691921748	VATPOEKBLUPUCX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](NCCC)[C@]12CCCC[C@H]1C2	693286915	DTKDTLFPHIRHSW-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](C(=O)CC(C)C)CC1	695054854	JJVPNUBGGIOKNG-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
Cc1cccc(F)c1NC1C(C)(C)CCC1(C)C	699621639	OBVQMSDLZBLCRT-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)C1(C(C)C)CC1	700007218	ROAONBUAONEQEQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc(Cl)cc1C	701387998	DESDPGQYOOCDJN-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)C1CCCC1	704981263	UYRJUJQXOJRWGD-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)[C@H](Nc1cccc2ccccc12)C1CC1	705395994	RTFOJRHMJGDWBX-KRWDZBQOSA-N	239.362	4.686	0	10	BJAE	
C[C@H](C[C@H](N)[C@H](C)CC(C)(C)C)c1ccccc1	708286375	QLENNZUNCOUYFQ-FMKPAKJESA-N	247.426	4.580	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(Cl)cc1C	708405350	JLHMWIDSZVZISG-SNVBAGLBSA-N	238.758	4.657	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C[C@@H](C)CC(C)(C)C	709102856	NELCOYGGADYDNB-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(C(C)(C)C)CCCN1	709191805	UICLJAFJYPMKLA-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc([C@H](CC)NCC[C@@H](C)CC)cc1	710202098	WUZSIUGQCNQBDL-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
Cc1cc(C)cc([C@](C)(N)C[C@H](C)C(C)(C)C)c1	710751603	GCHKHULNBOOSMP-WMLDXEAASA-N	247.426	4.550	0	10	BJAE	
CCN[C@H](CCCCF)C[C@@H](CC)C(C)(C)C	711074227	UEFXEEGHZDZZBJ-ZIAGYGMSSA-N	245.426	4.567	0	10	BJAE	
CC[C@@H](C[C@H](N)c1sccc1C)C(C)(C)C	711212905	XARMOXCBBWUACW-RYUDHWBXSA-N	239.428	4.519	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1C[C@@H]2CCCC[C@H]21	712508497	KRNRJKXUKBIFLK-USXIJHARSA-N	241.378	4.555	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)CC[C@H]2C)cc1C	713056477	DUKQMZOKOMFLLL-CJNGLKHVSA-N	245.410	4.930	0	10	BJAE	
C=C/C=C/CCc1ccc(C(F)(F)F)c(F)c1	713642565	DSVTZFJJMBNPCA-ONEGZZNKSA-N	244.231	4.519	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)[C@H](CC)CC(C)C	713680874	CTNYJYCIHIQEGL-MTQIJDFFSA-N	237.431	4.559	0	10	BJAE	
CCCN[C@@H]1c2ccccc2[C@H](CCC)[C@@H]1CC	714356424	MICSYRJALQIQHX-VBQJREDUSA-N	245.410	4.651	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1CCC2(CC1)CC2	718528536	OSFJPEDTICPIMN-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)c1ccc(O)c(CCC=C(C)C)c1	718629222	PSQWJAFBNFAWKK-CYBMUJFWSA-N	232.367	4.805	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](CCC(C)=C(C)C)NC)C1	718651977	LTDSBTDAPDICRS-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)C(N[C@@H]1CCCCCC1(C)C)C(C)C	718984214	CECBOAXBMIYZRK-CQSZACIVSA-N	239.447	4.616	0	10	BJAE	
CNC[C@@]1(CCCC(C)C)CCC=CCCC1	719001095	ZSYDFGPGEWBPAR-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CCCCCC1(C)C	719224595	UPZRGJBVRACZGL-LSDHHAIUSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1COc1ccc(Cl)cc1	1613673612	DINYHORSHUFVAD-VXGBXAGGSA-N	238.758	4.545	0	10	BJAE	
CCC[C@@](C)(CC=C(C)CC)CNC(C)C	1900822083	AZEDOLKKLMQHEN-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC(C)CC[C@](C)(N)CC1CCCCCC1	1901060783	LIXOPNRZHZJNSZ-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCCCCCCC(C)(F)F	1901371564	GZTPIZYRLRSBBL-UHFFFAOYSA-N	204.304	4.948	0	10	BJAE	
CCC[C@H](CC)CNc1c(C)cccc1C	1905345927	GMMWTDVSJLSBDE-AWEZNQCLSA-N	219.372	4.542	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCCCC[C@@H]1O	1905443110	GONHRQVTUXSMTG-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
Clc1ccc2c(ccn2[C@@H]2CC[C@@H]3C[C@@H]3C2)c1	1906479513	RGQYGIRQMNBUII-MPKXVKKWSA-N	245.753	4.656	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H]1CCCCCCC[C@@H]1O	1908564301	LPBYQMBCMVNSCU-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CCC=Cc1ccccc1	1911959087	DYYAYTJRESXGHN-DOTOQJQBSA-N	246.394	4.523	0	10	BJAE	
C=CC=CCC[C@@]1(CNC(C)C)CCC[C@H](C)C1	1911984978	JDLPFXXQRXCNTH-DLBZAZTESA-N	249.442	4.703	0	10	BJAE	
C=CC=CCC[C@H](CCC1CCCCC1)NCC	1912108167	XIUPRISBXLOPBT-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CCCCC1(CNC(C)C)CC2(CCCC2)C1	1912577866	APOCQRQYLASXJN-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C1CC2(CCCC2)C1	1912644074	DFGFWMCGIDDIOR-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCC2(CCCC2)C1	1916417207	IPMATVAZXJZRLR-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c2sccc2c1	1917358464	QOSKTWQBTHPCII-JHJVBQTASA-N	243.375	4.502	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1CCCC1(F)F	1919944601	SPPDDLQYUAWVMF-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H]1CCCC[C@@H]1C	1919958673	JAGKGTWZBZLTBF-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H]2CCCC23CCC3)C1	1921497079	LWUFKFWBOMNIIG-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)NC1C[C@H]2CCC[C@H](C1)C2	1923475245	QKOGURKUTSFBQZ-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CC2CCC1CC2)C1CCCC1	1924093725	SBEAZGONVFJMJD-FKFRUQKQSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCCC1	1924134134	AGPINBKLDMOWET-LQKXBSAESA-N	248.410	4.598	0	10	BJAE	
Clc1ccsc1C[C@H]1C=CCCCC1	1925879262	JPZIRVHZIYQYHT-JTQLQIEISA-N	226.772	4.690	0	10	BJAE	
CCC(CC)CCN[C@@H]1CC(C)(C)CC[C@H]1C	1926201570	VEAVDVOJOLUUAM-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC=C1CCC(C)(C)C[C@H]1CN	1927142851	BFLUGPGRNYGSSP-AWEZNQCLSA-N	237.431	4.524	0	10	BJAE	
C[Si](C)(C)CCNc1cccc2ccsc12	1936252331	RNFNPQCMCPAZRT-UHFFFAOYSA-N	249.455	4.651	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1(C)CCCCC1	1937166137	CLGACBIDEPHSGY-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H](CC[C@H]1CC1(C)C)C(C)(CC)CC	1940852064	BISUWQLXBQPKEY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](O)CCC[C@@H]1CC1(C)C)C(C)(C)C	1940880972	COLJDPUPCBNAAY-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)CNC1(C)C(C)(C)C1(C)C	1941189605	ISVGNSXXCUHJKY-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(SCCCCCC2CC2)ccc1N	1941575256	MDIJKWXMILJMKF-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CC1(C)CC(C)(NCC2CCCCCCC2)C1	1942005608	HRVPKIXZQVUGNQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)CCC(F)F	1942300975	WELGPEHKRIFEHN-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CCN[C@H](C(CC)CC)C(C)(C)C1CCCC1	1944646874	POVCQSSLAMWTEV-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1CCC[C@H]1C	1944782930	DFJHGSKOKUFZEC-ZIAGYGMSSA-N	232.367	4.625	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](O)CCC1CCCCC1	1944869648	UOUIRMCGDVSKKU-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
O=C1CCCCC[C@H]1c1csc2ccccc12	1945623964	ZTPCMIWRGVYIQE-NSHDSACASA-N	244.359	4.518	0	10	BJAE	
CCC(C)(C)CC1(N)CC(C2CCCCC2)C1	1945956953	IACCAOBORKXABR-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCCCC12CCC2	1947878057	DJSYMLGUBQESKZ-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CCCCC12CCC2	1947879237	BIFQOIWNFNIDCD-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CC12CCCC2)CC(C)(C)C	1948079090	BQFVYXNRMYWGMB-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@](N)(CC)CC1CCCCC1	1949018832	KYNQLYTWLGYGBH-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)CCCC1(C)CC1	1949054184	KCEPGKVRZWHCBP-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H]1c2ccccc2NC[C@H]1C	1949091152	HWRWROBELXISID-ZWUHOBOKSA-N	231.383	4.514	0	10	BJAE	
c1cc(N[C@@H]2CCC23CCC3)c2sccc2c1	1949317806	CHKVMRVFNHMFKI-CYBMUJFWSA-N	243.375	4.646	0	10	BJAE	
CC(C)CC1(C(=O)[C@@H]2CC[C@H](C)C2)CCCC1	1949505123	IUODCKIVXRWDBH-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC1CC2(CCC2)C1	1949839523	AUOMTGOZQVNWIN-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)CC2CCCC2)C1	1949861922	KSEVAOIXMDUGGA-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)CC1CCCC1	1949870692	RBMAFLNOTLESJD-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)C[C@@H](O)CC1CCCCC1	1949912565	NXRHTLWLOZJIER-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@]1(CNC2CC2)CCC[C@@H](C)CC1	1950929033	DAGWRDVOGGAVJV-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1cccc(C2(C)CC2)c1	1967831802	DBARFHQBMGHUAO-XJKSGUPXSA-N	243.394	4.729	0	10	BJAE	
CC(C)CCN[C@@H]1CCCC2(CCCCC2)C1	1968286224	ZWJIDWIGHXMTJC-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@H](Oc2cccc(Cl)c2)C1	1978374786	NVWURUOSHQPMHC-ZDUSSCGKSA-N	238.758	4.688	0	10	BJAE	
CC=CCCCC[C@H](NCCC)C(C)(C)C	1984632325	LKABOGQTCTYZEQ-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC(C)C(CCC(=O)CC(C)(C)C)C(C)C	1988297297	HKWGFBDYULXMAM-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CCCCC[C@@H](CC)NCCC(C)(C)CC	1990090074	WEIBRCDVORLMEY-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
Cc1cc(F)c(Cl)cc1N[C@H](C)CC(C)C	1995047771	KBECJOLRHKMBBV-SNVBAGLBSA-N	243.753	4.634	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1csc(C)c1	1995213560	DGAAXXNOVIPVDA-LLVKDONJSA-N	238.396	4.846	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(O)C1(C)CCCCC1	1995992407	XYONIENRTWHKMF-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC[C@](N)(CCC1CCCC1)C1CCCCC1	1996595738	YFLCHYCZLCKFIY-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC1(C(=O)[C@H]2CCCC(C)(C)C2)CCCC1	2000105434	KENMSJHIMWGKMC-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC1([C@H](N)[C@@H]2CCCC(C)(C)C2)CCC1	2000177760	CFSKNLGJFVRMHX-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)c2ccc(Cl)cc2)C1	2000189763	CALRJECRMXGULG-GXFFZTMASA-N	248.753	4.515	0	10	BJAE	
CCCNCC(CC)(CC)C[C@H](C)C1CCC1	2000500661	WVCSSTAUSPCHFK-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2001495661	YJCSZXBNQOMQOR-RBSFLKMASA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C[C@]1(N)CCCCC12CCCCC2	2001569855	ZJDOXBIUTXYCEX-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC1(C[C@@H](N)CCC[C@H]2CC2(C)C)CCCC1	2003178248	ACSHVZSTZXWTAR-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCC[C@H](N)c1ccc(C)cc1	2003629495	SCGXURRUJJKNEJ-INIZCTEOSA-N	231.383	4.521	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)C2(C)CCC2)CC1	2004834639	OTZXYAKIUXDMHN-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC1([C@H](O)CCC2CCC2)CCCCCCC1	2004922006	CCQDGFHAXDQJES-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
C=CC=CCC[C@H](N)C1(C)CCCCCCC1	2004922088	DAEOIEWKMONIBH-HNNXBMFYSA-N	235.415	4.587	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H]([C@@H]2CCCC(C)(C)C2)C1	2006663343	INZDMQWNHFLWHO-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCCCC1CCC(N)([C@@H]2CCC[C@H]2C)CC1	2006767390	YNUZRAULUSEIBA-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]([C@H](C)CC)C1(C)CCC(C)(C)CC1	2007698972	VPGYAKVDLKATPE-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C=C1CCCCC1)c1cc(C)c(C)s1	2007938586	ZJMFARKYPFECAH-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
C/C=C/CCCOc1ccc(C(C)(C)C)cc1	2009567226	OARGPTTZFJAWBQ-AATRIKPKSA-N	232.367	4.719	0	10	BJAE	
CCCC1CC(O)(CC2CCC(C)(C)CC2)C1	2009711705	BYMVDPXMIALXLG-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC=C(C2(O)CCCCCCC2)CC1	2010719267	LWYYIIGHOTXZPB-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC)CC1=CC[C@@H](C(C)(C)C)CC1	2010768500	ZPYCVCLLHXMWTC-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(O)CCCCCC12CC2	2011284292	DJKJQZMRQVJAHB-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(O)CC1CC2(C1)CC(C)(C)C2	2011840693	SSXFNMVNRXNFDE-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC[C@H](C(C)C)N1	2013525837	KTWRILWOMFRHKZ-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CCN[C@@H](CC(C(C)C)C(C)C)[C@H](C)C(C)C	2015285261	UZTAYXHSJKXVCV-ZBFHGGJFSA-N	241.463	4.575	0	10	BJAE	
CC(C)C(CC[C@@](C)(F)CCCCN)C(C)C	2015348371	VVDKSJVSIFBOBX-HNNXBMFYSA-N	245.426	4.552	0	10	BJAE	
CC[C@H]1CC[C@@H](C)N1CCC(C(C)C)C(C)C	2015395042	VGDFMQQRUWIDDB-CABCVRRESA-N	239.447	4.568	0	10	BJAE	
CC(C)[C@H](C)C[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2015396450	DWBMADSTAAHEDN-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1(C(C)(C)C)CCC1	2017131351	OPZYNAWADIPEEX-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC(C)C1(C[C@H](N)C(C)(C)C(C)(C)C)CCC1	2017149010	VMGNHLUONWHZPD-ZDUSSCGKSA-N	239.447	4.602	0	10	BJAE	
CNC[C@@]1(CC(C)=C(C)C)CCCC(C)(C)C1	2017463541	KSDMJZNDHLMDPO-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C[C@H](C[C@H](O)C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017715815	KKOQMMUDSCBAKB-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(C[C@](N)(CC)C(C)C)CC1	2017720840	IHAXANZFDCVCHR-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)C[C@H]1CC[C@H](C)CC1	2017721153	JSCVLGWDXYELRD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C)CNC(C)C)CC1	2017729538	XQEFPIJATDZARF-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CN[C@]2(C)CCC(C)(C)C2)CCC1	2017907270	GTTZCEAFZPBZGQ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1CC[C@H](C)CC1	2018128763	FEUHDMWHGLDWRX-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](O)(CC)CC1CC(=C2CC2)C1	2018132079	WWJWUFHNZFQQMW-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1CC[C@@H]2C[C@H]2C1	2018134052	KPZRWVLSWJLLHN-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CC[C@H](C)[C@H](C)C1	2019122013	POTHQGSOOHIQMC-XUWVNRHRSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC(C)(C)CCF	2019188057	GXMYADLQXPYJHB-CQSZACIVSA-N	245.426	4.520	0	10	BJAE	
CCc1cc(-c2ccc(C)cc2Cl)ccc1O	2020678655	CVOKLPXOHUROHO-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
CCCC[C@H](CC[C@H]1C[C@@H]1CCC)NCCC	2022495813	MHMJIOXTAPOCEC-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CC=C(C)C)C[C@H](C)C1CCCCC1	2023327813	NNDHPXLPSDJZQX-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C=C(C)[C@H]1CC[C@@H](N)CC1)CC	2023545216	CKLYDNXHRFHVEP-OAGGEKHMSA-N	237.431	4.667	0	10	BJAE	
CN[C@@H](C)CC(C)(C)C[C@@H]1CCCC(C)(C)C1	2024091360	HRMYYYUSHBSIQQ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC=C[C@@](C)(N)CC1CC(C)(C)CC(C)(C)C1	2024100384	CCJUSOKVEDQWID-MRXNPFEDSA-N	237.431	4.523	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@H]1CCCC(C)C	2024125468	SEVKDMQKANIWSD-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)[C@@H]1CCC(C)(C)C1	2026148337	WLULOEIAQVQLOW-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@H](c2nc(CC3CC3)cs2)C1	2026540891	BHDKJYLNYYYXNL-AAEUAGOBSA-N	249.423	4.779	0	10	BJAE	
CCC[C@@H](C)[C@@H]1Nc2cc(C(C)(C)C)ccc2O1	2027859601	GULBSLGNLPWEOI-IAQYHMDHSA-N	247.382	4.551	0	10	BJAE	
CC[C@H](C(=O)c1ccccc1C1CCC1)C(C)C	2028258788	VLKIPNXUUOZYFF-AWEZNQCLSA-N	244.378	4.819	0	10	BJAE	
CCC(C)(CC)[C@H](NC)c1cccc(C2CC2)c1	2028551785	JNZCKWQNKRWFQJ-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)c1cccc(C2CC2)c1	2028563765	XGYSSCUJTAWZRJ-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
Cc1cc(F)ccc1C(=O)CCCCCC1CC1	2028630447	FZOIBFDHRJITMR-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC=C[C@@H](NCCC)c1ccccc1CC(C)C	2028917783	CIMDSQKFTNQHIT-QGZVFWFLSA-N	245.410	4.502	0	10	BJAE	
CCCCCC[C@@H](N)c1ccccc1CC(C)C	2028922120	OFOLQKSEUICIBQ-QGZVFWFLSA-N	247.426	4.855	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CC[C@H]2C[C@H]2CC1	2028968293	QSMCCAFCEUTMGF-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1C[C@H]1C(=O)c1ccc(C2CCCC2)cc1	2031746021	JXXITTVFGXOKCI-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C1(N)CC(C2CCCCC2)C1	2033788197	TYWLZJAUDXYJSH-CRYBEJKASA-N	249.442	4.501	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@H](Nc1ccc(F)cc1)C2	2036668532	VIEVKPMVUVRYGJ-UHOFOFEASA-N	247.357	4.597	0	10	BJAE	
CCC/C=C/CN[C@@H](CCCC)c1ccccc1	2036763166	MAPJNJNGYLKJDA-ZBZNSMLMSA-N	245.410	4.864	0	10	BJAE	
CCC1CCC(n2ccnc2C2CCCC2)CC1	2036776562	QSHUGDPOWULKOL-UHFFFAOYSA-N	246.398	4.682	0	10	BJAE	
N[C@]1(C2=CCCCCCC2)CCC12CCCCC2	2037075493	JXCXAPBBMYNLLN-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CCCCCC[C@](C)(N)c1c(C)cc(C)cc1C	2037097147	HAOUNFBOIXPOLW-KRWDZBQOSA-N	247.426	4.756	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(N)c1c(C)cc(C)cc1C	2037099043	RBTQKFWRJOCQNW-YVEFUNNKSA-N	247.426	4.612	0	10	BJAE	
CC[C@@H]1CCCCCN1[C@H]1CCC2(CCCC2)C1	2037673950	AQAMBPLWUZFNBX-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)[C@@H]2CCC3(CCCC3)C2)C1	2037683080	QEGJRQFLSMNABB-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1C[C@@H]([C@H]2CCC(C)(C)C2)c2ccccc2N1	2037696214	XXIIELYHPKSELO-IPYPFGDCSA-N	243.394	4.801	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2CC3(CCC3)C2)CC1	2038088262	RLEZZYCPKABTGO-CTYIDZIISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H](NC2CC3(CCC(C)(C)CC3)C2)C1	2038934319	SXBYTLLGGFJKEM-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)C1(C)CCCCC1	2039861150	BWEDHMMXWGKWAM-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CC[C@](N)(C1CCC(C)(C)CC1)C1CC2(CC2)C1	2040649921	FSNCGGLEMMOQHC-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@]1(CC[C@H]2CC2(C)C)CC=CCC1	2042096781	OSAARFDHVAKTAR-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
O[C@@H](CC1=CCCCC1)C[C@H]1CCC=CCCC1	2045344463	ZWDZRXQLRVOZDW-DOTOQJQBSA-N	248.410	4.764	0	10	BJAE	
C[C@@H](C(=O)c1ccccc1)[C@@H]1CCCC(C)(C)C1	2045454410	ISOYGOPYFDFWNI-UKRRQHHQSA-N	244.378	4.722	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@H]1C=CCCCC1	2045800491	VTBZVGINOUEWHD-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)CC1CC=CC1	2045982182	QGGIMVMDBVHSFY-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C(=O)[C@@H]1CC[C@H]2C[C@@H]2C1)C1CCCCC1	2047340113	JHDJOFSUTHVURT-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@]1(CCC2CCCC2)CCC12CCC2	2047944346	XVPHRPXXMGXOPV-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)C1CC(C(=O)[C@@]23CCCC[C@H]2CCC3)C1	2048625056	WKCDPQXCVRZGFW-UMPYDWHISA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@H]1C=CCCCC1)[C@@H]1CCCC(C)(C)C1	2049532476	LCFTVSBGKWWXLS-XHSDSOJGSA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](CC1CCC1)CC1CCC2(CC1)CC2	2049854229	JDWXZNIMZNOWLC-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CC2CCC3(CC2)CC3)C1	2049857877	QHJBFEYBZXTBJS-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCC1CC1)C1CC(CC2CC2)C1	2050217595	SUQKKYMTTREJOW-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC(C)(C)C1)c1ccco1	2050524535	GAKIOHOEAVLMRF-KGLIPLIRSA-N	249.398	4.537	0	10	BJAE	
CCNC[C@]1(C2CCCC2)CCCCC12CCC2	2053360768	RJFMESFVUWDFPB-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCNC[C@]1(CC2CCC2)CCCCC12CCC2	2053364839	LBJCTZZXLKYPCL-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCc1cccc(NC[C@H](F)C2CCCCC2)c1	2058032888	ZTRPHCPYWFSCRX-INIZCTEOSA-N	249.373	4.579	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)[C@H]1CC[C@H](C)CC1	2060925457	LAOBZLBWWJASNH-MUIFIZLQSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(C2=CC[C@@H](C(C)(C)C)CC2)C1	2061113400	OJTSJDPRYYEXIV-CPUCHLNUSA-N	249.442	4.667	0	10	BJAE	
C[C@H](NCC[C@@]12CCC[C@H]1C2)C1CCCCCC1	2061572951	UUENVNRWMPCYBR-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC1CC(=C2CC2)C1)C(C)C	2061739475	NYIXEEDNTXZGQR-SUMWQHHRSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(CCC[C@H]2C[C@H]2C)CC=CCC1	2062646970	PZAGAMLCOUPFLZ-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1CC2(C1)CC2(C)C	2063997473	VNNCWTMOEOAAKC-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC1(C)CC1)CC12CCC(CC1)CC2	2065306167	SAZUTJMNZJGEIQ-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(NCC2(CC3CC3)CCC2)CCC1	2069505413	NPDYGWCXMJKYOE-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)C[C@@]23CCC[C@@H]2C3)C1(C)C	2070956426	VWAFBJYZLTWEAD-KFZJALRRSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C1=CC[C@@H](C)CC1)C1(C(C)(C)C)CCC1	2071934047	PJRRZUJTEJCEOD-UKRRQHHQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1(C(C)C)CCC1)c1ccco1	2071950924	RLAVPSCEUZVJAD-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@@H]1CCCCC12CCC2	2072425769	QAEAMBXJUFACGT-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)c2occc2C)CC1	2072800536	FJRGRSHHMFRDGA-RBSFLKMASA-N	249.398	4.584	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CC[C@@H]3CCCC[C@@H]3N2)CC1	2072809586	OYFAHFBDIDIUNI-WOYTXXSLSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCNC3(CC3)C2)CC1	2072814893	GZLZXHXIZZWTMP-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@](N)(CC)CCCc1ccccc1	2073340721	NMZQOMJYGIIGIW-QGZVFWFLSA-N	247.426	4.697	0	10	BJAE	
CCCCC[C@@]1(CC)Nc2cc(CC)ccc2O1	2073348423	UPVVBXKKVQEOEM-INIZCTEOSA-N	247.382	4.740	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@]23CCCC[C@@H]2C3)C1	2074027945	DOSRFOZYJWQOBP-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C(=O)C[C@@]23CCCC[C@H]2C3)CC1	2074091010	NDHGPFDODYZGOD-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
CCN(C[C@H]1CCC[C@H](C)C1)c1ccc(C)cc1	2074855730	CBMOCOYVKGEJSF-HOTGVXAUSA-N	245.410	4.648	0	10	BJAE	
C[C@H]1CCC[C@@H](CN2CCC23CCCCCC3)C1	2074864470	JKZIGOVEDCSPBH-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@H](C)c2ccccc2)C1	2074892625	OPMOVYIBZUAKLH-BFYDXBDKSA-N	245.410	4.648	0	10	BJAE	
CCCN[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CCC(C)=C(C)C	2076510646	XAIOQKRPDSQSFZ-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1[C@@H](Nc2ccccc2C2CC2)CCC[C@H]1C	2077263872	FVSCILIQXIPVPJ-WWGRRREGSA-N	243.394	4.801	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2C[C@@H]2C2CCC2)cc1	2079283465	SVKOKIDLRFLBMD-NVXWUHKLSA-N	243.394	4.658	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@@H]2C[C@@H]2CCC)o1	2079477813	VFXYDNJOAORGBA-GXTWGEPZSA-N	248.366	4.631	0	10	BJAE	
CCCNC[C@]1(CC=C2CCC2)CCCC1(C)C	2081676692	ZTPXXONXNIJDLH-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@H](NCCC)C1C2(CCC2)C12CCC2	2083562367	JCEQCVIXFKPCTF-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(N[C@H]2CC[C@@H](C(C)C)C2)cc1	2085240338	UENVDLHFAWIZNP-WBVHZDCISA-N	245.410	4.876	0	10	BJAE	
C[C@H]1CC[C@](CN)(CCCCCCC2CC2)C1	2213571937	PBZLYAVHBQYWOU-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CC(C)C(F)(F)C(=O)CCCCCCC1CC1	2213583260	PZXBSLFVQZQVFI-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CC(C)(C[C@H]2CCCCCC[C@@H]2O)C1	2215397384	CGLHYFHXCSTZED-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@]1(C)CC=C(C)CC1	2215818257	QAFJCXKKLUJZBC-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@]1(CN[C@H](C)CC)CC12CCC2	2217129696	LJNAFLFDOBWQSV-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218376099	YLQARZTXPASVPN-QMHWVQJVSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C1C[C@H]2CC[C@@H]2C1	2218724794	KICRGMHAQBKWBM-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC1CCC(C2CC2)CC1)C1CCCCC1	2218896754	MCNXDDGFTVFZCR-NVPAJSRCSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC1(N)CC(C2CCCCC2)C1	2220872799	DLWJJPCTBZNWOG-PMRDFSHISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)C23CCCC2CCC3)C1	2221017335	UKPMOOBCUZGCJJ-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CN[C@H](C)C(=CCCCCCCC2CC2)C1	2223111032	RQRZFTDNSHPZFN-HUUCEWRRSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CC1(CNC2CCC2)CC2(CC2)C1	2223540741	BORAVBXUUIQSPO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NCC1(C2CCCC2)CC2(CCC2)C1	2223556552	IYHQSQJIKPLZSD-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1cccc2ccoc12	2224195552	FODGTPKCCBQNNN-WFASDCNBSA-N	246.350	4.539	0	10	BJAE	
c1cc(NCC[C@H]2CCCCC23CC3)cs1	2242757723	NZVHYGDGMOSEJD-GFCCVEGCSA-N	235.396	4.521	0	10	BJAE	
CC(=O)c1ccc(C)c(-c2csc(C)c2C)c1	2246397790	VQRDOYFLRCBKMK-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CCCNCC[C@H](C)CC[C@@H]1CCC[C@H](C)C1	2246687563	PEZPLIWIVRWASW-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2CCC2(C)C)CC1	2247424328	FDKIEQICKSQUGY-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](C)NCC[C@H]1CCCC12CC2	2247598513	CRJDKJNWMVDKAS-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)[C@@H]1CCC2(CCCC2)C1	2250378884	AXICJKNGCYZFAS-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)NC[C@@]12CCCC[C@H]1CC2	2251199942	COLUNHOADKCUGF-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CC1CC(C)(C[C@H]2c3ccccc3NC[C@H]2C)C1	2253748845	BCQHRHJIQLJBJK-PTSUJKEJSA-N	243.394	4.658	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC=C2CCN[C@@H]2C(C)(C)C)C1	2254000271	CRCVSYALZYPUFW-YCPHGPKFSA-N	249.442	4.537	0	10	BJAE	
CC1(CCNCC2CC3(CCCC3)C2)CCCC1	2254072799	QRKHQHFGMLABKL-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1cccc(C)c1NCC1CC2(CCCC2)C1	2254082630	RQJWVHFFBFGONH-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
C[C@](N)(CC1CC2(CCCC2)C1)C1CCCCC1	2254111359	HOQBYVNOGBGRPP-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC1CC2(CCCC2)C1	2254120028	ORBXIPNWTNSGTC-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNc1ccc(C2CC2)cc1	2254506893	XKWAGBFPBVXUMI-BBRMVZONSA-N	243.394	4.802	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@H]1CC1=CCCCC1	2255095006	DJPPQGIOXRJPJX-IRXDYDNUSA-N	249.442	4.683	0	10	BJAE	
C[C@H](CC[C@@H]1CCCC12CC2)C1CCC(N)CC1	2255236934	XKOWNTJIUFRRPP-CIDNJEQPSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(N[C@@H](C)[C@@H]2CC23CCC3)ccc1C	2256450815	FOZVJNJQEQQEJM-BBRMVZONSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC[C@H](N)c1ccccc1	2257245089	HKQBJTDDMOHBSZ-OIISXLGYSA-N	245.410	4.683	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)[C@@]12C=C[C@@H](CC1)C2	2257290115	LXQYTBODVUVZLO-MPTYRVRUSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cc2cccc(C)c2o1	2259435223	ARKFXUYZNMKBDI-GFCCVEGCSA-N	244.334	4.750	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CC1CCC=CCC1)C2	2259460361	NAPXTOYWKWNSCU-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
C[C@H](C[C@@H]1CCNc2ccc(F)cc21)C1CCC1	2261340569	WZGBOPQYEDXBGH-YPMHNXCESA-N	247.357	4.551	0	10	BJAE	
CC1CC(CCC(=O)C[C@H]2C[C@H]2C2CCCC2)C1	2261508604	KUORFSFKGPDXPJ-ITMHDFIRSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@H](C)CC1CC1	2298847212	FTEJBSXGXFAGJB-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCCCC(C)(C)NC(CC1CC1)CC1CC1	2298868168	VNTXNJJYSUSBFG-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCCc1ccc(-c2cccc(C(C)=O)c2)s1	2300615887	LEFOBGAIPVBZRM-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CCC[C@@H](C(C)(C)C)C1	2300880770	MPSJUXAYZMIDNB-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CC(=CCCC[C@H](N)C(C)C)CCCC(C)C	2300889647	XGLQGLAMGSHAPI-INIZCTEOSA-N	239.447	4.913	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CC[C@H](CC)C1	2300922144	WOIMIGCOYQGCPP-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CN[C@H](C)CC)CC1CCCCCC1	2301239343	OWJZNPOJKQVACJ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)CCC1CCCCC1	2301845061	VPBMDORGSCAFJH-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1cccc(C(F)F)c1	2301965969	YTSNVEBGICYIQQ-QWRGUYRKSA-N	241.325	4.717	0	10	BJAE	
Cc1ccc2nc(CCCC(C)C)ccc2c1	2302224950	NPQOJNPSZADICN-UHFFFAOYSA-N	227.351	4.522	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)C[C@H]1CCC(C)(C)C1	2302720210	FIMRTGLCNONBNG-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)C[C@@H]1CCC(C)(C)C1	2302899436	ORCRNRKCMFFOEN-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303505823	KWFAHTDXAFWNFX-ZFWWWQNUSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(O)CCCCC[C@H]1CC	2303570141	GXHRUJWMAHBIMC-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
C[C@H]([C@@H](N)CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304438931	ZMKUTPLACUXJEJ-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C[C@@]23CCCC[C@@H]2C3)C1	2311147566	IXQONTORYLQIQX-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@H]2C[C@@H]3CCC[C@@H]32)c1	2311331451	UGISCXCHXJJVLB-QRTARXTBSA-N	241.378	4.555	0	10	BJAE	
C[C@@H](C[C@H](N)[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2313289090	SNWADRBZWXXPMZ-PQEBFOHHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCCN1C[C@]12CCCC[C@H]1CC2	2313614537	QQDWISSANSYTSG-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C(CC1CC1)CC1CC1	2313658785	JDEDIPVLYBEICF-QGZVFWFLSA-N	249.442	4.667	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2316503367	PKMFMBNEBHNWCV-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H]1C[C@H]2CCC[C@H]1CC2	2316793771	YSVNMUNXBLZMCY-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C1=CC[C@@H](C)CC1	2317907887	UIHUZENCRRZGFO-RHSMWYFYSA-N	247.426	4.601	0	10	BJAE	
CC1(C)CC([C@@](C)(N)CCCC2=CCCCC2)C1	2318535330	VTFYAZWMCPZEQW-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@]12CCC[C@@H]1CC2	2318570738	XZJJUKYKNOCPQV-NVXWUHKLSA-N	246.394	4.807	0	10	BJAE	
CNC[C@]1(CCCC2=CCCCC2)CC[C@@H](C)C1	2318593679	XHVDHXGXKFMPEL-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc([C@H](O)CC[C@@H]2CCC(C)(C)C2)cc1	2319029883	KWUFHJQWSYSGRQ-GDBMZVCRSA-N	246.394	4.635	0	10	BJAE	
CC(=CC=C[C@H]1CCCC[C@@H]1N)CCCC(C)C	2319205557	XGVCYSSPGZJISL-SJORKVTESA-N	249.442	4.833	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CCCC[C@H]2C[C@H]21	2319445731	HWSLLZSRUDMLEY-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@H]2CC[C@@H]2C2CC2)C1	2319748586	KKFURXZLQWJRJO-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)CCc1ccccc1	2328267604	CCZCUQGSORGPDX-NVXWUHKLSA-N	247.426	4.553	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cc(C)ccc1OC	19232545	ZSOYMVQGHGCCKT-JSGCOSHPSA-N	249.398	4.630	0	10	BJAE	
CC[C@H](Nc1ccccc1C)c1cccs1	21027484	CPFIBIUOYOMLJA-LBPRGKRZSA-N	231.364	4.620	0	10	BJAE	
CCCC[C@@H](CC)CNC1[C@@H](C)CCC[C@@H]1C	21800729	QNJPDLGOJQOUEO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCC)c1cccs1	35545350	ULNUIWZFGIAFCI-OCCSQVGLSA-N	239.428	4.615	0	10	BJAE	
C=C(F)CC1(O)CCCCCCCCCCC1	36439742	MRLFRUIOMSKJDD-UHFFFAOYSA-N	242.378	4.896	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)c1ccc(C)s1	36792279	CGLCLLAKAZQPRW-WCQYABFASA-N	239.428	4.676	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1ccc(C)c(C)c1	68863538	XUQGZAYVBDSLJZ-NVXWUHKLSA-N	248.410	4.943	0	10	BJAE	
CC[C@H](C)c1ccc(NCC(C)(C)C)cc1	71085908	QAFSECKOIWCVRR-LBPRGKRZSA-N	219.372	4.658	0	10	BJAE	
Cc1cc(N)cc(-c2ccc(C(C)(C)C)cc2)c1	71549672	VPTLUVDBCNBUPO-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CCCCCC[C@@]1(N)CCCC(C)(C)CC1	83435355	QRMYXTLEHIVCMU-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C)CC2)cc1F	86879150	LOBYAPMXKIHCHV-WCQYABFASA-N	235.346	4.515	0	10	BJAE	
CCCCC[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1	87187814	ZPUSKACSORGJFL-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](/C=C1\CCc2cc(N)ccc21)CC	94338491	HUFASCMQKPZHFJ-MBFWDRTGSA-N	243.394	4.815	0	10	BJAE	
Cc1ccc(C(=O)C2(CC(C)C)CCCC2)cc1	94899062	XLGGAHFGSGSPSV-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)C2(C)CCCC2)cc1	94899637	GFCFXDUBZWLILT-XJKSGUPXSA-N	245.410	4.780	0	10	BJAE	
CCC(CC)CN[C@@H](C)c1c(C)cc(C)cc1C	124787308	YAAJXQSYRBXKTH-HNNXBMFYSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H](Sc1ccccc1)c1sccc1N	138668083	KHTONIVDAFSLEW-GFCCVEGCSA-N	249.404	4.574	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCC(C)(C)C[C@@H]1C	155828265	PMSBYOCMECKHJW-DZGCQCFKSA-N	245.410	4.876	0	10	BJAE	
Cc1cccc([C@H](N)C2CCCCCCC2)c1C	158982812	GFWMRQAUUOLZCT-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1ccc(C(C)(C)C)cc1	167243580	HXTBEYJHZHDVRL-XJKSGUPXSA-N	247.426	4.681	0	10	BJAE	
CC(C)C1CCC(O)(C2CCCCCC2)CC1	167613339	ZHDRWCNZGMZBOD-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(=O)c1ccc2sc3ccccc3c2c1	216011010	WGCQRSNYPVSDQT-UHFFFAOYSA-N	240.327	4.647	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC[C@@H](C)C1	216366786	AZQRMHBIRWSHRT-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CC(O)(CC1CCCCC1)CC1CCCCC1	220912897	PANMFNMTJMBEON-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2c(C)cccc2F)C1	224953540	ALSGHCNYLUWWGG-OLZOCXBDSA-N	235.346	4.515	0	10	BJAE	
CCCCCC[C@@H]1CNc2c(C)cc(C)cc21	232944105	NOFAKWPGQDSKSZ-CQSZACIVSA-N	231.383	4.783	0	10	BJAE	
CC(=O)c1cccc([C@H](C)C2CCCCC2)c1	258962250	RKXHEHDIRZSJIA-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
Cc1cccc(NC2CCC(C)CC2)c1Cl	300818556	AIIIPQOVYMGXKY-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)c1cc2ccccc2o1	302295552	GTVPJKIOVUYKMN-OCCSQVGLSA-N	246.350	4.539	0	10	BJAE	
Cc1ccc([C@@H](O)CC2CCC(C)(C)CC2)cc1	310796559	WDZOICWVOQTXPR-INIZCTEOSA-N	246.394	4.635	0	10	BJAE	
Cc1cc(F)ccc1C(=O)C[C@H]1CCC[C@@H](C)C1	311022741	REQPIDZXYOITFI-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
Cc1cccc(N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C	315217595	UBCVQKZSSJGMGV-VGWMRTNUSA-N	243.394	4.540	0	10	BJAE	
CCCC1CCC(CNCC)([C@H](C)CC)CC1	317042353	BPEFLLKCHBBTSA-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@]1(C(CC)CC)CCCC[C@H]1C	317621344	FTQCCLDRDXMXAI-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](CC1CCCCCC1)NC	319987426	GAKMASBPIVVKNP-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@H](C)C1CCCCC1)C1CCC1	322680220	JNZZGQVCIBLHFT-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C(=O)CC/C=C/c2ccccc2)CC1	324143558	MYSCIRDAPXXMCM-UXBLZVDNSA-N	242.362	4.629	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H]1CCC[C@H](C)C1	379973352	NMXUGXNLNYSYKX-SWLSCSKDSA-N	232.367	4.509	0	10	BJAE	
CCc1ccccc1NC[C@@H](C)C1CCCCC1	380941448	MFJGZRUBLXCGTM-CQSZACIVSA-N	245.410	4.877	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC23CCCC3)cc1	381037358	LULXMNMQEPWENM-INIZCTEOSA-N	243.394	4.910	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)c1csc(C)c1	381105535	BDUKUWBUDCLGOR-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CCCC1(N[C@H]2CCCC[C@@H]2CC)CCCC1	382252344	FCXBIWFNXLSOAP-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CC[C@](C)(CCC1CCCCC1)CNC(C)C	383132568	VGLZSHCUFZCUEE-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@H](C2(N)CCCCCCC2)CC[C@H]1C	383211747	XSUSKQZKAJNCFB-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)(C)C)[C@@H](C)CC(C)C	383753791	COWSGCPBPLBTNW-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)C[C@@H](C)Nc1nccc2ccsc12	384058512	PFNWVBLEDJSQJM-WDEREUQCSA-N	248.395	4.533	0	10	BJAE	
CCC(C)(C)C(=O)c1ccc2ccccc2c1C	384785648	WHFRWNPAVTZZHH-UHFFFAOYSA-N	240.346	4.767	0	10	BJAE	
CCCC1([C@H](O)c2ccc(C3CCC3)cc2)CC1	385170340	XREVGYHMSHBHKE-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CCCCC1)c1ccoc1	386184498	JDCFTWJDZOWLIG-XJKSGUPXSA-N	249.398	4.537	0	10	BJAE	
CC[C@@H](N[C@@H]1CC2CCC1CC2)C1CCCCC1	394332115	SPYJAFAMIRPQJA-OKEQZYBDSA-N	249.442	4.514	0	10	BJAE	
CCCC1(NC[C@@H]2CC(C)=C[C@H](C)C2)CCCC1	394432613	XCPZRNWGWRDIJG-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CCNCC/C=C(\C)CCCCCC(C)C	394773167	VIWBMIIHTCIANV-NTCAYCPXSA-N	225.420	4.539	0	10	BJAE	
CC1(C)CCCC[C@@H]1Nc1ccsc1Cl	395633760	FJJFFJCYRHPNRD-JTQLQIEISA-N	243.803	4.782	0	10	BJAE	
CCc1cc2cc(C)sc2cc1C(F)F	396193554	ALZDIVMXVINNTD-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
N[C@H](CCC1CCC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	398857687	QJYFUNMGQAKICY-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C[C@H](O)CCC1CCCCC1)C1CC1	405766093	AOCWSMFSDHLIRW-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(CCCC2CC2)CC1	406026101	JWCYAXWSCRBBRT-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCNc1ccc(C(C)(C)C)cn1	686305331	ASVHYBMKXNTHNP-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
CCCCCC[C@@H](N)CC(C)(C)C(F)(F)CC	691003542	SKKKSBGMSLWEIE-GFCCVEGCSA-N	249.389	4.746	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@H](C)C1CCC1	692730221	IFUCBJJWBORCII-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1O[C@@H](C)c1ccccc1	699494152	PDZVDCNUEOXZCC-AWEZNQCLSA-N	240.346	4.779	0	10	BJAE	
CC1CCC(C2(N)CCC3(CCCC3)CC2)CC1	704450432	XUIKCPNXZWGHBG-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC(CC)(C1CC1)C1CC1	704655675	JOWWWSZZHDPTEN-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1CCCC12CC2	706971339	AGXACOMEGHBBMM-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)c1nc(C2C(C)(C)C2(C)C)cs1	707080735	JOKOATOINZHANN-UHFFFAOYSA-N	237.412	4.590	0	10	BJAE	
C[C@@H]1C[C@H](N[C@H]2CCCC23CCC3)CC(C)(C)C1	708293535	ATVAKRBMYXIVJB-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@@H](C[C@@H](C)CC(C)(C)C)C(C)(C)C	709126236	PEBXDYDEWHRQET-ZIAGYGMSSA-N	241.463	4.721	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1ccccc1F	709210908	IJFMELAKJXIGET-GXTWGEPZSA-N	235.346	4.597	0	10	BJAE	
CC[C@H](C[C@H](CCC1CCC1)NC)C(C)(C)C	711187178	AKGMFXNNGLIZAQ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C1CCC(CC[C@@H]2CC[C@@H]3CCCC[C@@H]3N2)CC1	712299342	LFIVAPZXHLJQCN-BBWFWOEESA-N	249.442	4.658	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1C[C@@H]2CCCC[C@@H]21	712505266	WESWMJCPIJOQCC-OBJOEFQTSA-N	249.785	4.639	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)[C@H]1CCCCC1(C)C	713217914	SDYMARHYWYLJMN-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(C(F)(F)F)cc1CC1=CCCC1	713251267	HYVIUORSGOVCPX-UHFFFAOYSA-N	240.268	4.667	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)c1csc(C)c1C	713702696	PBVMJNJGSLPWKS-KIUWMYQTSA-N	249.423	4.538	0	10	BJAE	
CC/C=C/C[C@H](CC)c1cc(C)ccc1O	714552507	JSSFXYQISMEZGE-YBJDMEARSA-N	218.340	4.551	0	10	BJAE	
CC[C@@H](C[C@@H](N)CCC(C)=C(C)C)C(C)(C)C	718490704	CXHSFIVHMAZPND-GJZGRUSLSA-N	239.447	4.913	0	10	BJAE	
CCc1ccccc1[C@H](CCC(C)=C(C)C)NC	718623078	FYZYGIPFKUQNDI-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CC(C)=C(C)CCc1ccc2nc(C)ccc2c1	718671381	YRBPNTMAVGJCQE-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1cscc1C(F)F	720275686	JTNHBGNHBOPQRN-SNVBAGLBSA-N	248.338	4.545	0	10	BJAE	
CCC(C)(C)C1CCC(N[C@@H]2CC23CCC3)CC1	721178202	SFQXRGIMBYVMKV-YMAMQOFZSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCC[C@H]1Sc1ccc(F)cc1F	1188500670	HNRYQOVIDPTWMO-JOYOIKCWSA-N	242.334	4.636	0	10	BJAE	
CC(C)CCN(C(C)C)[C@@H](C)c1ccsc1	1307854183	HAZIXCBZJSNHLB-ZDUSSCGKSA-N	239.428	4.566	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)CCC=C(C)C	1659254879	UVMIJRDZKOPRDN-HUUCEWRRSA-N	225.420	4.680	0	10	BJAE	
CC=CCCCc1ccc(C2CC2)s1	1885372872	JZRONRYEHNGJNR-UHFFFAOYSA-N	206.354	4.524	0	10	BJAE	
Cc1sc(C)c(CCCC(C)C)c1C	1889480866	IYDATVKWTYDXLD-UHFFFAOYSA-N	210.386	4.652	0	10	BJAE	
CC=CCCCc1ccc(Cl)c(C)c1	1899500351	OEZNWHHIVUZMIU-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC=C(C)CC	1900883002	BPHJSQWQPQHOCG-LSDHHAIUSA-N	225.420	4.667	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1ccc(CC)s1	1905385669	BYLXLFPZDMQVDD-AAEUAGOBSA-N	240.412	4.560	0	10	BJAE	
CC(C)=CC[C@H]1CCCCCCCCC1=O	1913390797	SFRGYXOXJUNYNW-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
CC(C)[C@](O)(C[C@H](C)C(C)(C)C)c1ccccc1	1919934237	KMGQSGMRWVSHKV-WMLDXEAASA-N	248.410	4.603	0	10	BJAE	
CCCCCC[C@](C)(N)c1ccccc1C1CC1	1920202120	JWGGYCGQUXDZHH-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
CCCC1CC(N)(CCCCCC(C)C)C1	1921274813	IZYXUOJOZWEMTB-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC(C)C1CC(C(=O)CCCCCC2CC2)C1	1921286752	PEXFOULUNZJIAZ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@H](C)C1CCCCC1	1924106443	KWRXQLMACKWCTN-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)CCCCCC1CC1)C1CCCC1	1924136048	PTMHQSVALBBXHX-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CCCC(C)(C)C)c1cccc(N)c1	1936003002	QOMQYEJXFKCZIB-LBPRGKRZSA-N	219.372	4.589	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CCC1CC=CC1	1936721094	UJNMYRMTJAAOAZ-KKUMJFAQSA-N	218.384	4.805	0	10	BJAE	
CCCNCC1(CC2(C)CCCCC2)CCC1	1940409353	WZHFUMVRAHZHIV-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCCC2CCC2)CC1	1941460849	DEXAEGWTNWCBAG-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CCCCCC2CC2)C1	1941587879	WSLLCVACLTWQHY-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)CCC(F)F	1942305666	BLNIEZXAGREHLL-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)[C@H](C)CCC(C)C	1942653530	RGJYTBMZLITJOH-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@H](C)CCC(C)C	1942655790	BFFOLCPIXOINBI-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)([C@H]1CC1(C)C)[C@H](C)CCC(C)C	1942656038	CFEBWOALYRJWCU-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@@H](C)c1ccc2c(c1)CCCN2	1942656585	BYVRKKFYKQHVQL-CYBMUJFWSA-N	231.383	4.584	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CCC(C)(C)C[C@@H]1C	1942657934	GOVFXJCLFRPRDX-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C[C@@H]1CC1(C)C	1944748635	BQJHUXCSFURZIE-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](O)C[C@H]1CCC[C@H]1C)CC(C)(C)C	1944841965	GGFXWBAUMZRBOH-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cccc2sccc12	1945957527	ICHADIOZTBRYAP-XHDPSFHLSA-N	248.391	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CCCCCC1CC1	1947470544	VAVZIBYGHJLZJF-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
Clc1cccc2c3c([nH]c12)C1(CCC3)CCC1	1948473746	RZDUVVVHWZAFQY-UHFFFAOYSA-N	245.753	4.579	0	10	BJAE	
CCCCCCN[C@@H]1C[C@H]2CCCC[C@@]2(C)C1	1948597200	WNVXIXFYPLSUNL-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@]1(N)C[C@@H](C)CCC1=C(C)C	1948971509	XYWCLXYBXJZREM-GOEBONIOSA-N	237.431	4.811	0	10	BJAE	
CC1([C@H](N)C2CCCCCC2)CCCCCC1	1948980334	OZBVZEMIHKEMKF-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(O)C=CCCC1(C)C	1949682119	XPJSFHDAQXBWHB-CJNGLKHVSA-N	238.415	4.556	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@H]1CC12CCCCC2	1950612445	MDUUITGGYRNCAC-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@@]1(CN)CCCC(C)(C)CC1	1950914406	PLJNSVNRYGODLS-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
CCCCN(CC)Cc1ccccc1C(C)(C)C	1964536144	OYDQSSJPMYWUPJ-UHFFFAOYSA-N	247.426	4.606	0	10	BJAE	
CCCCN(C[C@@H]1C=CCCC1)C1CCCCC1	1966261458	HCJYPCZSYFFYAW-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCC3(CCCC3)C2)C1	1967855858	OAQYRHIYRYJHDH-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(NC[C@@H]2[C@H]3CCCCC[C@H]32)cc1C	1968254114	BKXMRKWEPQLTKC-FVQHAEBGSA-N	243.394	4.542	0	10	BJAE	
CC1(C)CC[C@H](CNc2ccc(Cl)cc2)C1	1968265250	HOMQIFYXZSECDB-NSHDSACASA-N	237.774	4.578	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@H]1CCC2(CC2)C1	1968551510	UKDPMUZHIHXCGN-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CC1(C)CC2(CC(NCCC3CCCCC3)C2)C1	1968848188	CWSBBPBFSDCEBL-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CN[C@@H]1CCCC2(CCCCC2)C1)C1CC1	1969013360	HWRVSZXPOHTNRH-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)C(=O)[C@H]1CCCC(C)(C)C1	1978375741	TYAGKDUGSZPPET-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1csc(C(F)F)c1	1978582701	NSGNTIXSONFUDX-SNVBAGLBSA-N	247.354	4.512	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](CC)CCC(C)C	1986947818	JIGBRNQIGMJJTL-UKRRQHHQSA-N	227.436	4.616	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)C(C)(C)CC	1989818800	LUKQATUQGRMUFF-KBPBESRZSA-N	227.436	4.760	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H](C)CC(C)C	1990046844	ZPJVRVBUSCPGAZ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCN(C(CC)CC)C1CCCCCC1	1991730730	IHWALIWIUAOXLW-UHFFFAOYSA-N	225.420	4.610	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1cscc1C	1995214345	LGZOXYQMDKCMJM-LLVKDONJSA-N	238.396	4.846	0	10	BJAE	
C[C@H]1C[C@H]1c1nc(C2CCCCCC2)cs1	1995499121	YLQYMEYHUBFNRQ-CMPLNLGQSA-N	235.396	4.704	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N(C)C1CCCCCC1	1995704028	IOEFIWLEURXSBX-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
C[C@H]1CC[C@@H](Cn2ccc3c(Cl)cccc32)C1	1996229291	FDBRZSAJFQOCLX-NWDGAFQWSA-N	247.769	4.731	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1CCC[C@@H](CC)CC1	1997109340	OPURLPKNXMRADH-OAGGEKHMSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CC(C)(C)CC)CC1	1997117644	SFZCENZFVSHAIN-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NCCCCC1CC1	1997426168	LEMHCXUHTHYSOU-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)[C@H]1CCCC(C)(C)C1	2000026552	DHBLTSKQICWANC-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@]2(N)CCCCC2(C)C)C1	2000062703	OAZJQVJJEAAEBJ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](C)(CNCC)C1CCC(C)CC1	2000503875	BOQKXMAILVPJSP-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CNCC)C[C@H](C)CC(C)C	2000506150	YQEPQDXSDRFEOQ-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@H](C)NC1CC2(CCCCCC2)C1	2000672731	MCUKIJVXEWBISF-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CCC1CC(C(CC)(CC)CNC(C)(C)C)C1	2002349186	GWFRMGGEIFRPIR-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@](C)(O)C1CCC(C(C)C)CC1	2002924465	KEDGLTRNVMKYIY-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CCC1(C)CCC(O)(CCCC(C)(C)C)CC1	2004339083	KYVORVFYSXTCKX-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCC1(CC)CCC(N(C)CC=C(C)C)CC1	2004363537	VCHMUWGRDKMZHQ-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCCC(CCC)NC[C@H]1CCC[C@H]1C(C)C	2007661099	YJPIJEZLOUUDKY-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)CC[C@@H]1CC=C(C)C	2009408455	UIWVEOBKZRSFJK-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](C[C@H](C)CC(C)(C)C)NC	2009619563	MSISBEZFSRDJBI-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CCCCC[C@H](CC[C@]12CCC[C@H]1C2)NCC	2011000947	GALNOWQBBQYOPF-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CSCc1ccccc1CC1CC(=C2CC2)C1	2011089203	KAGFJISXWRTFIZ-UHFFFAOYSA-N	244.403	4.593	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCN[C@H]1C(C)(C)C	2014544780	ZLTAVEBSRKMTER-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)[C@@H](C)CC(C)C	2015290539	KZTLXWUYJIAZEZ-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC[C@H](N)C1(C)CCCC1)C(C)C	2015355784	BUOOXGKVYHCBKN-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CNCC(C)C)C[C@@H](C)C(C)C	2015401391	SGPILVUVKLNVMC-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
CCCC1(CC2(N)C[C@@H](C)C[C@H](C)C2)CCC1	2015641549	GOOYLUXMRNCGLG-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@@H](C)CC(C)(C)C)CC1	2015761459	XRLCARAZCHOGRB-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC1(C(C)(C)C)CCC1	2017118053	CJSGORXDVAPCIA-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)C[C@H]1CC[C@H](C)CC1	2017722111	NTLCDHPRWVWBHE-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C(C)=O)C(C)C)CC1	2017773120	VXFXGSWRKDMRLK-BZUAXINKSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1CCC[C@@H](C)C1	2018138000	BDNXSNZXHVZHPE-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@H]1C[C@@H]1CCC	2022484461	OXBMPAUJEQDHNH-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@H]1C[C@@H]1CCC	2022492565	KPOZHHMHBZKLII-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)CC1CCCCCC1	2022556839	JDCNSEVQQUISTO-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](O)CCC2(C)CC2)C1	2024121228	CFWGYVUADOWSRF-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H]1CCCC(C)(C)C1	2024128082	JXHRXFPQSOKFBR-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@@H]1CCCNC12CCCCC2	2024622676	UHNILLDVWYFPDY-OAHLLOKOSA-N	237.431	4.659	0	10	BJAE	
Cc1ccc(C(=O)CCC[C@@H]2CC2(C)C)cc1F	2027841594	AOOLTLVWKYQBGS-CYBMUJFWSA-N	248.341	4.533	0	10	BJAE	
CCCc1ccccc1C(=O)CC1CC(C)(C)C1	2027902752	CONRTZYARDSQQE-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
Cc1cc(C)cc([C@H](O)[C@H](CC(C)C)C(C)C)c1	2028235555	QPLYKEVUVZBJAX-SJORKVTESA-N	248.410	4.655	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)c1cc(C)cc(C)c1	2029965964	DWNGHUAKFFZRII-BBRMVZONSA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CNC1(C2CCCC2)CCC1	2033055897	VZTXMLUVIHKFNM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(CCNCC2CCC=CCC2)CCCCC1	2033216059	FRUNEXYBNRLWBH-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](CC)CCCC=Cc1ccccc1	2035349025	YFOGQZWXIOYDEV-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCCC2)CC[C@H](CC)C1	2035599981	KGHRQLBZBJYTRO-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)c1ccc(C(C)C)cc1	2036374938	LXMSZOJRFCEJAD-RHSMWYFYSA-N	248.410	4.700	0	10	BJAE	
NC1(C[C@@H]2C[C@H]3C[C@H]3C2)CCCCCCCCC1	2037146218	VBBKJKGXHZXMMX-MUJYYYPQSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(-c2ccccc2C(C)C)cc1C=O	2037282839	GTADOFXOICNNPK-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CC1(C)CC(C)(C(=O)[C@@H]2CCC3(CCCC3)C2)C1	2037680539	ZRXSEFYDJKNBDP-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC(C)(CC[C@H](N)[C@@H]1CC12CCCCC2)C1CC1	2039087324	ASDMGZYZJOHJIL-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(N)CC3(CC(C)(C)C3)C2)C1	2039461370	DJZOURHYTZKSPQ-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC([C@@H](N)CCCC3(C)CC3)C2)C1	2039461500	GHFWMLPSZKPIEQ-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](NC)[C@]2(C)CC=CCC2)C1	2042026213	BWJLDYGYQSXOAN-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCCCCc1ccc2c(c1)C[C@@H](C(C)C)CN2	2042332074	WVJJAOKPNTUTKB-MRXNPFEDSA-N	245.410	4.660	0	10	BJAE	
CC1(C)CC(N[C@H]2CCC23CCCC3)CC1(C)C	2042386411	ULAHCVTYWLQUFV-AWEZNQCLSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@H]1CCC=CCCC1	2045732381	HYSWULXNRAWMKG-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)cc1	2046486577	QTMSDCGRPJXPQJ-QLPKVWCKSA-N	243.394	4.801	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@H]1[C@H]2CCCCC[C@H]21	2048366826	UGYICPBCWMDDNZ-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H]2[C@H]3CCC[C@H]32)cc1	2048457111	GJCBVCOTQOGHEU-SJWGOKEGSA-N	243.394	4.658	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1[C@H]2CCCCC[C@H]12	2049210840	FUBYFQUZUGEDKX-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(C[C@@H]2CCCC3(CC3)C2)C1	2049845117	HDIXOWJYFXDJFD-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@@H]1CCCC2(CC2)C1	2049935240	GWVZRNGPDRUDCS-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@]1(C)C=CCC1	2050006345	MLGHKUJHOURODR-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](N[C@H](C)C1(C)CCC1)c1ccc(C)cc1	2052350464	ZDGOOUDDRNVBDT-ZBFHGGJFSA-N	245.410	4.614	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2055226740	MZEWIRRGWIIBSP-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CCCC[C@H]2C(C)C)CCC1	2055550256	AXPQVPHLMRKYDN-GVDBMIGSSA-N	249.442	4.680	0	10	BJAE	
CC(C)=C(C)CCNCC1(C)CCC2(CC1)CC2	2056537858	ZQRWLALXQPKPQG-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC=CCCCNC1CC2(CCC(C)(C)CC2)C1	2059225461	NLRGJJUSNHYNCJ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(C(F)(F)F)c(C)cc1C(F)F	2060347638	JNPVQVPCWSFQMV-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CCN[C@@H]1CCC[C@H]1C1=CC[C@@H](C(C)(C)C)CC1	2061149551	DPNSSZFXEJFGQM-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1OCC[C@@]12CCC[C@@H]1C2	2061596243	KXYLLDYHBKRMBY-NVXWUHKLSA-N	244.378	4.598	0	10	BJAE	
CCN[C@H](CCCC1CC1)CC[C@]12CCC[C@H]1C2	2061610649	BFUUQNPTNOLCLY-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC1CC(=C2CC2)C1	2061696957	WZASYQJKWRPUSP-XJKSGUPXSA-N	246.394	4.662	0	10	BJAE	
CC[C@H]1CC=C([C@@]2(N)CCCCCC23CC3)CC1	2062008961	JRQQZWPDFNZSAH-YOEHRIQHSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C23CCCC2CCC3)C1	2063853840	YGPBCDFMMKMSDD-LXTOLFJKSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C[C@H]1CC12CCC2	2069176370	FKZXXFUGLSDRGF-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2069509747	TUUIWZGHEMPIGL-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@H]2CCCC3(CC3)C2)CC1	2069521426	KYFPAQJCGNWESY-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1(CC2CCC2)CC1	2069580680	LQJDTGCWIYMVAV-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C[C@]2(C)C[C@H]2C)cc1	2070955950	RUBHPSLUNMCHCY-DYVFJYSZSA-N	244.378	4.504	0	10	BJAE	
Cc1cccc(C)c1C(=O)CC1(C(C)C)CCC1	2071912950	LPNORFSPQMUBKR-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CNC[C@@]1(CC(C)=C(C)C)CCCCC12CCC2	2072411345	NUIZLMXKIZOBQI-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc2ccn(C[C@H]3CC[C@H](C)CC3)c2c1	2072880387	WEWNBENXFIWRGV-CTYIDZIISA-N	241.378	4.776	0	10	BJAE	
CC1CCC(N2CC[C@]23CCCC(C)(C)C3)CC1	2075116196	INZINCDSLFVIKB-DQPZFDDXSA-N	249.442	4.610	0	10	BJAE	
CCc1ccccc1CN(C)CCC(CC)CC	2075209093	BPINHMCYIMFAER-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
CCCCc1ccc([C@@](C)(N)CC(C)(C)C)cc1	2078004468	ZJSYYZMJAQWQBS-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC=C[C@H](NCCC)[C@H]1C[C@H]1C1CCCCCC1	2079434472	HLPRIICHVUZJAF-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2C[C@H]2C2CCC2)CC1	2079447292	OMZWIZTZHIQPGQ-XNIRIUNOSA-N	249.442	4.501	0	10	BJAE	
c1ccc(-c2cccc(N[C@H]3C[C@@H]4C[C@@H]4C3)c2)cc1	2097009783	HTZTZNHILAFVJC-ALXJQNPVSA-N	249.357	4.564	0	10	BJAE	
C=C=CCCC(=O)c1ccccc1-c1ccccc1	2125591134	SZUCKGJERUSLMI-UHFFFAOYSA-N	248.325	4.658	0	10	BJAE	
CCCCCC[C@@](C)(N)CCCCC1CC1	2211119008	LPDRJAZSSNNGMV-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC)CCC(C)(C)C	2212598225	UGWUZCQPKHQJGS-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CCC[C@H](C(C)(C)C)C1	2216259128	SIAGSEQYIQPDRH-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC(=O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216747144	KYKGIVAZPVPYSJ-ILXRZTDVSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C(=O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216747986	RSWKQNBLXGJXGA-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CN)CCCCCCCC1CC1	2216860939	SIGCKXVGQWLUDX-UHFFFAOYSA-N	239.447	4.892	0	10	BJAE	
Cc1ccccc1OCC1C[C@H]2CCC[C@H](C1)C2	2218326316	AYTPWBBLVKDUEY-GJZGRUSLSA-N	244.378	4.590	0	10	BJAE	
CCC[C@@H](N[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218331188	CZJDXOLOVMGEFU-YALNPMBYSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(N)(C1CCCC1)C1CCCC1	2220858687	GKOYXMHNKUYJPS-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2220873012	FFZHPKDAOSDFKF-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@H](C)C1CCCCC1	2221934350	YDMCZOAETJSQFQ-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)C(C)(C)CCC	2222299828	FQSBENAIEIARRO-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
C[C@H]1CCC[C@H]1CC1(CNC2CCC2)CCCC1	2223550101	LOAKCVFKMBDNAW-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1(CNC2CCC2)CC2(CCCC2)C1	2223605855	FHPMKJYVMBPLQX-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CC(=O)CC[C@H]2CCC[C@H](C)C2)C1	2246665742	LLMUOLCAEMZABS-FGZQJIAISA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCC(=O)CC[C@@H]1CCC[C@@H](C)C1	2246682004	SUTCBBPKDWLRBC-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@](C)(O)CC[C@H]1CCC[C@@H](C)C1	2246689448	AURWJHADIFEGSR-OAGGEKHMSA-N	240.431	4.924	0	10	BJAE	
Cc1sc([C@H](N)CC2=CCCCC2)c(C)c1C	2246758425	AKBYOWSBBBMYOC-CQSZACIVSA-N	249.423	4.564	0	10	BJAE	
O[C@H]1CCCCCCC[C@@H]1CC1=CCCCC1	2247496721	KJBDRFQPRFTIPQ-CVEARBPZSA-N	236.399	4.598	0	10	BJAE	
CC1([C@H](N)CC2=CCCCC2)CCCCCC1	2247511975	OABHNVKJBRHTRS-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1CC2CCC1CC2	2250367888	AZZOYEXZTZZIDK-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@H](CC)CCC	2250372341	PDZDNOFWYZTZPT-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@]12CCC[C@@H]1CC2	2251215049	IJGSOWXXVABLKT-BZUAXINKSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@@H]2CC23CCCC3)C1	2253925979	WQQNWWNFVJNVPY-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)CC2CC3(CCCC3)C2)CC1	2254103016	FXYHYCREYYUXDH-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(N[C@@H](C)[C@H]2CC23CCC3)cc1	2256453271	WCPKOFXIEGODHQ-XJKSGUPXSA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](C)(N)[C@@H]2CC23CCC3)C1	2256489723	PVAXLIPFEZDQPT-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](Nc2cc(C3CC3)ccc2F)C1	2259125197	DZJQRQFWVORCHA-ZDUSSCGKSA-N	247.357	4.694	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CC1(C)CCCCC1)C2	2259457373	GKHHZHGEMQTVLH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(CN[C@@]12CCCC[C@@H]1CC2)C1CCCC1	2260540870	VRDBHUPLIZDMFF-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@]23CCC[C@@H]2CC3)C1	2260650653	FVBRMZFWFLIHHC-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2260677771	HKNFZVGUPGQGKO-NCOADZHNSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CC[C@@H](O)CCC1CCCCC1	2300682384	YNLKXNXQFRQHHR-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CC[C@]1(O)CC[C@H](C)[C@H]1C(C)C	2300684569	VZHROAFWIGGWOW-NUEKZKHPSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@H]1CCCCC1(C)C	2300685604	HGRYCXGLUBCMMQ-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@H](O)C12CCC(CC1)CC2	2300685640	HNLPNQCKSVBSPC-HWOWSKLDSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@](O)(CCC(C)C)C1CC1	2300691505	VAWCKRMPXINHCY-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2301065804	IREWWHPNHCOQSM-KKUMJFAQSA-N	236.399	4.598	0	10	BJAE	
Cc1ccccc1-c1nc(C)c(CC(C)C)s1	2301188501	LVZNXTZIMAWOAK-UHFFFAOYSA-N	245.391	4.625	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)NCC(C)(C(C)C)C(C)C	2301835183	DIKPCZVHVIIFAX-CABCVRRESA-N	241.463	4.575	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)CCCCC[C@H]1C[C@@H]1C	2301942384	PUORYFLBDYXKHU-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H](C)[C@@H](C)C(C)C	2301959691	VUORWHDHKSQILA-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC1(C)C[C@H]1c1csc(CC2CCCCC2)n1	2302261733	FDKPQMHKXHISET-LBPRGKRZSA-N	249.423	4.779	0	10	BJAE	
C[C@@]1(CCCCC2=CCCCC2)CCCOC1	2302342636	LGNQPDFHCAKWCB-MRXNPFEDSA-N	236.399	4.864	0	10	BJAE	
CC1(C)CC[C@@H](CC2(N)CCCCCCC2)C1	2302683296	RLJGHVUPMVULLL-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCCCCN[C@H]1CC[C@H]1C(C)(C)C	2303401874	PGMXAYVEOYBZOH-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C(=O)CC[C@H]2CCC(C)(C)C2)C1	2304429178	UNVCDJLJBBUZMI-MOKVOYLWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@H](C)C1CCC1	2307908350	GTYINRKVEAZFBI-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2CC[C@@]12CCC[C@@H]1C2	2310387879	QSJIOXQUDTYUBU-CKEIUWERSA-N	241.378	4.556	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2312523411	GFPDASWPJIVLHM-IVSAIRAKSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCC1	2312904189	YNQASAPKIVFZCI-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](NC[C@@]12CCCC[C@@H]1CC2)C1CCC1	2313317025	SSENWRBVPMXLLF-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1CC2CC1C2	2315875660	ZJFWJLZBIQHWGU-AVVWSFFYSA-N	243.394	4.576	0	10	BJAE	
CC(=CCC(=O)c1cocc1C)CCCC(C)C	2316511948	XZKCOZFKVGRTSK-UHFFFAOYSA-N	248.366	4.933	0	10	BJAE	
CC(=CCN1C[C@H]2CCCC[C@H]21)CCCC(C)C	2316512931	LODPMFKLYJPXIY-IAGOWNOFSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CCCC12CC2	2316538823	YHEZHMXLYHDAPX-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
O=C(CC[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2317005873	ACHLFFKCXWXNEF-OFQRWUPVSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317120634	DVAMSHVGFZCYJA-QBPKDAKJSA-N	249.442	4.680	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@H]1CC[C@H](C)C1	2317907401	PTAZOBXITNGSMK-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cc(F)ccc1C(C)C	2317929097	VXZAJQIGPSRTSE-CQSZACIVSA-N	249.373	4.940	0	10	BJAE	
C1=C(CCC[C@H]2NCc3ccccc32)CCCC1	2318572598	HBUFPYJHBZKKRN-QGZVFWFLSA-N	241.378	4.502	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@@H]1C[C@H]1C(C)C	2318577894	ZOPUBXWZGUFLOK-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@]1(C)C[C@@H]1C	2318583930	VGLFIZQQQUSWOX-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@](N)(CC[C@@H]2CCC[C@@H](C)C2)CC1	2320267963	KOLBBYOIIXHEHK-XOKHGSTOSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)C2C(C)(C)C2(C)C)CC1	2320388196	NTNGEQPEDFEHHI-KBPBESRZSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(N)CCCCC23CC3)CC1	2320389331	ZEBAKLVAONDCGC-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H](C)CC2CCCC2)CC1	2320414753	UEKUSEIBWKKSCW-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC([C@@H](N)C[C@H]2CCC(C)=C(C)C2)C1	2320415841	DVXWRPXXZNZQRO-SOEBMCCKSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C)c(NCC[C@H]2CCC(C)(C)C2)c1	2321532338	UDODWRPFVUZHIW-OAHLLOKOSA-N	245.410	4.932	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)C2CC(C)(C)C2)c1	2327677191	GJRAXJVDHAYUCU-MRXNPFEDSA-N	246.394	4.588	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1C[C@H]1c1ccccc1	2328270454	ZMGZICURTFMZBV-CWRNSKLLSA-N	244.378	4.576	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CCC2CCCCC2)c1	21512090	KYBRCMDRCLOOEI-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCC[C@H](C)C1	21813708	CWYMRFJTSHMUTI-UONOGXRCSA-N	231.383	4.801	0	10	BJAE	
CCCCCC[C@H](C)NCc1ccc(C)cc1C	34991457	QMSWIWAOQWNFCR-INIZCTEOSA-N	247.426	4.752	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)(C)C)c1ccccc1	35540477	IWEKJTPBOIHNDT-HOCLYGCPSA-N	247.426	4.800	0	10	BJAE	
CCCCN[C@@H](C)c1sc2ccccc2c1C	37197977	HOKJDJKODTWZTF-LBPRGKRZSA-N	247.407	4.660	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1ccc(Cl)s1	40257910	FWABUWPRWGOWSO-JOYOIKCWSA-N	246.803	4.651	0	10	BJAE	
CC(C)CCCCCCNCCC(C)(C)C	70130921	BLBUHKFRZXIBGB-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCCCCC[C@@H]1CCCC[C@@H](NCC)C1	80413677	RBXLGRWBZFJYCC-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
Cc1ccc(NCc2cccc(C)c2Cl)cc1	83374635	XTFAQAUDSJGTBA-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CC(=O)c1cccc(S[C@@H]2CCC[C@@H](C)C2)c1	84122219	XXUKNYNSHGJUGO-BXUZGUMPSA-N	248.391	4.560	0	10	BJAE	
CCc1cccc(C)c1NC1C[C@H](C)C[C@@H](C)C1	84468602	UOOUNOXDURZRJY-CHWSQXEVSA-N	245.410	4.794	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCC[C@@H](CCC)CC1	87187532	QIWGYVSGOWSXHD-ARFHVFGLSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)c2ccc(C(C)C)cc2)C1	88017255	HVFCUXYIEXQIBH-XOKHGSTOSA-N	245.410	4.636	0	10	BJAE	
CCCCC[C@@H](CNCC(C)C)c1ccccc1	88099273	BPXBGALQGZMALT-KRWDZBQOSA-N	247.426	4.596	0	10	BJAE	
CCCN[C@@H](CC)c1ccc(C(C)(C)CC)cc1	90482424	BVIAMWNVGOLGOS-INIZCTEOSA-N	247.426	4.825	0	10	BJAE	
CN[C@@H](C1=CCCCC1)c1ccc(C(C)C)cc1	110228537	BFPXOTSNVKKVAE-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
C=Cc1ccc(-c2cccc(C=C)c2)cc1	118017783	SVQRJCWJSHORLP-UHFFFAOYSA-N	206.288	4.640	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)C(CC)CC	132583830	IGTPFLHRJSNIGL-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCNCC1(C2=CCCCC2)CC(C(C)C)C1	161449140	SAQQOULQBJGISR-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C1(C)CCCC1	162753879	YTJCIGVPZWKJLO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@@H]1CC[C@H](C)[C@H](C)C1	168346435	CUWYCDDPXPDVDG-SJXGUFTOSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1NCCC12CCCCCCCCCCC2	203216825	LMUFLSSLKWIQNV-HNNXBMFYSA-N	237.431	4.659	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2CCCCC2)C1	203537762	VXGGIVLWUIPQKP-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@@H](CC)C1	225992175	GQOZYHXSTLWZEK-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(C)CC[C@@H](NCC)C1	226172737	MKKUXNMMYCKDKJ-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@H](O)C2CCCCCCC2)C1	227041027	FAEGAZUDXIYZDN-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC[C@@H](NC)C1	227720666	YJWRVSUZFIADHA-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](N[C@H](C)CC1CCC1)c1ccccc1	229683078	UTBBSDURXVOXAS-RHSMWYFYSA-N	245.410	4.696	0	10	BJAE	
CCC[C@@H](NC1CC(C(C)C)C1)c1ccccc1	233294387	LDNCTSSGPIBPNN-OFLPRAFFSA-N	245.410	4.552	0	10	BJAE	
C[C@@H]1C[C@H](CCC(C)(C)C)c2ccccc2N1	235363584	IAQWWTMEBHLJNH-OLZOCXBDSA-N	231.383	4.801	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1C[C@H]2CC[C@H]1C2	253039312	JMNZLVRBCZCCFQ-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
Cc1nc(C2CCCCC2)sc1C(F)(F)F	259099303	ANKPFYHRVVYOAA-UHFFFAOYSA-N	249.301	4.518	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC)CCCC(C)(C)C	300812049	FZCYPQYGIAHQOA-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCc1ccsc1C(=O)C[C@H](C)CC(C)C	300834021	CKUXKJAKMORKJQ-LLVKDONJSA-N	238.396	4.566	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)C1CCC(C)CC1	302324290	HGULYXUVBSEWOU-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(NC(=N)C2CCCCC2)cc1C	302347704	VVNRWNRHCJCQFK-UHFFFAOYSA-N	244.382	4.527	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](F)c1cccc2c1NCC2	302459888	YIYSJSUUVLGOLA-DOMZBBRYSA-N	249.373	4.738	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1n1ccc2cc(F)ccc21	304930751	DLTLVEGQTZVNKR-WFASDCNBSA-N	245.341	4.922	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)C1CCC(C)(C)CC1	305938587	LBKBXOKHCNAACZ-UKRRQHHQSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1ccc(C2CCC2)cc1	305968282	PKVWYFJDHSOWAC-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CCc1cc(Cl)c(CC)c2sccc12	307189004	SMQKWKWJMCGNNN-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CNCC(C)(C)C1=CCCC1	308771755	WFCCZOIMYZTZHR-HUUCEWRRSA-N	249.442	4.539	0	10	BJAE	
CC/C(=C/C(C)(C)CC)c1ccccc1O	309059538	YLBZKCUEXUMEFR-QXMHVHEDSA-N	218.340	4.622	0	10	BJAE	
CC1(CCNCC2CCCCCC2)CCCC1	310495538	GTPIVJHFOQXKNE-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
Cc1cccc2c1ccn2C1C[C@H](C)C[C@@H](C)C1	310593504	QHZFNKPXARYAQW-CHWSQXEVSA-N	241.378	4.947	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CC3CCC2CC3)CC1	311106768	VNFRDKYAGMXQEN-WXGPCXSOSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC12CCCC2)C1CCC1	322241854	AKRTZXSNOKPRTH-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC2CCC(C)CC2)C1	380023232	DUONTFISFAJFDO-KNIAUWFNSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)C)c1cccc(C)c1C	380665944	XJUSNHWJJOMFDN-DYVFJYSZSA-N	247.426	4.636	0	10	BJAE	
C[C@@H](NC1CCCCCC1)[C@H]1CC2CCC1CC2	381596224	FLJNAQYZWGVSLS-ARAOSMHQSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC(C)(C)CC[C@H]1N	383170873	KYOXCQUCAQEEMF-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC/C=C/CCNC(C)(C)C	383374410	KKFRAZKVJOOWGP-CSKARUKUSA-N	239.447	4.927	0	10	BJAE	
CCc1ccc([C@@H](N)CCC2=CCCCC2)cc1	384927065	HQNHGFAMPWMHPR-KRWDZBQOSA-N	243.394	4.529	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@H]1CC)C1CCCC1	387494105	DPBDANNJGVTEHF-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](Nc1ccc(F)cc1C)C1CCCC1	387622499	RAOYVCBJMVFVSF-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CC(C)CC(C)(C)CN[C@H]1CCC[C@@H](C)CC1	391165651	DIWVCJRZBKBQHK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC1CC1)NCCC1CCCCCC1	394552389	BALOUJJPNKLFRO-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCc1csc2c(S)c(C(F)F)ccc12	396251442	RNTTXDQXPMRZNB-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCCC1(F)F	397968061	SCZVFHHCPWPEOX-STQMWFEESA-N	247.373	4.513	0	10	BJAE	
C[C@@H](C[C@H]1C[C@@H](C)Nc2ccccc21)C1CCC1	398666401	QJEDUWSPRJCQMS-GUTXKFCHSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC(C)(C)c1ccccc1	686728143	DNXKLEULAOAYIN-GOEBONIOSA-N	247.426	4.508	0	10	BJAE	
CCCC1(CNc2cc(F)ccc2C)CCC1	687525412	AJFSEPVQWSSKLH-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCCC[C@@H](NC)C1CC(C)(C)CC(C)(C)C1	688324203	ZCJFYZZHJKUFNS-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@H]2CCCC[C@@H]2C)c1	688927338	QQEVJRQCGWGDQO-JQFCIGGWSA-N	245.410	4.636	0	10	BJAE	
c1cc(NCCC2CCC2)cc(C2CCC2)c1	690169995	HKUYSOJSQSPKHB-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCCC1=CCCCC1	691147233	HOORDHZIEJOLKZ-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
CC(C)(C)c1cccc([C@@H](O)CCCC2CC2)c1	691715000	XQXOSZQRJSSXFI-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CCc1ccc(OC(C)(C)C)cc1C(C)C	694951123	WMJIYMHVPOCVPN-UHFFFAOYSA-N	220.356	4.550	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CCCC2(CC2)C1	695681756	XJTOZIBGWKBQGZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cccc(C2CCC2)c1	696558592	CWQPYZHHLRGKGB-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
NC[C@@H](CCC1CCCC1)C1CCCCCC1	696830079	GXZBBSJDHHUOHK-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC(C)CCC[C@]1(CNC(C)(C)C)CC1(C)C	702173081	VCSVYABJWJVMMC-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@H]1CCC=C(C)C	704847130	GEXRPNKAPXVRML-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC[C@@](N)(C[C@@H](C)C1CCCCC1)C(C)(C)C	704852901	RYEJEDIQBHIXAG-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)[C@H]1CCCCC1(C)C	704993777	NAXOYWWHMOVJEN-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]3CCC[C@@H]32)cc(C2CC2)c1	707774804	QGTXJRQSYBDUBF-RRQGHBQHSA-N	241.378	4.555	0	10	BJAE	
CC(C)CNCC/C=C\C[C@@H](C)CC(C)(C)C	709085543	NWVCRTASIVARAC-ZPIQOJFGSA-N	239.447	4.641	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC1(C)C)[C@]12CCCC[C@@H]1C2	709148528	JFERQZAHGMPPMP-KLZNWCGWSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1Nc1ccc(Cl)cc1	709174358	HZEJALXDRPLJJB-FZMZJTMJSA-N	237.774	4.721	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@H](C)CC(C)(C)C)C1	709259508	IQANODCBLSKUQH-RQJABVFESA-N	238.415	4.700	0	10	BJAE	
CCCc1ccccc1OC[C@H](C)C(C)(C)C	711126463	WOLQEAVIOBIRSC-ZDUSSCGKSA-N	234.383	4.700	0	10	BJAE	
CC[C@@H](CC(=O)CC1(C)CCCC1)C(C)(C)C	711186614	LPPFNJKEXBZLID-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
N[C@H](CC1CCCC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714475978	QNBSJZNNZGYATE-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC2CC(C3CC3)C2)CC1	714698594	ZTEBACVOBDKDDH-AKBUMOGYSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](NCC2CC=CC2)CC1	717342854	RBZCHIWSAWFIPS-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@H]1NCCCC(C)(C)C	717454691	KZFZSFFEZBPHPP-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CNCC1(C[C@@H]2CCC[C@H](C)C2)CCC=CCC1	718119664	OJYHVNPYHIKVPL-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)c1ccc2sccc2c1	722867130	CTQJOEKYRTUZND-GFCCVEGCSA-N	244.359	4.520	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)CC1CC(C)(C)C1	723531282	DEXFPQIKRAHDHF-MDWZMJQESA-N	237.431	4.537	0	10	BJAE	
Cc1csc(C)c1C(=O)[C@@H](C)CC(C)(C)C	724989916	SUIYKSPLDNBKFT-VIFPVBQESA-N	238.396	4.620	0	10	BJAE	
COc1cc(N[C@H](C)CCC(C)(C)C)ccc1C	821908672	DTNBNUOCOYXJTJ-CYBMUJFWSA-N	249.398	4.630	0	10	BJAE	
C[C@H](C[C@H](N)[C@@]12CCCC[C@@H]1C2)C1CCCCC1	822063526	MQKMHVAEXMERML-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](NCc1ccccc1CC)C(C)(C)C	1307776064	HEBRXIBDRRMALX-INIZCTEOSA-N	247.426	4.553	0	10	BJAE	
C1CCC(CSC[C@@H]2CC[C@H]3C[C@H]3C2)CC1	1559364102	RYRPOKJYPMOGBW-QLFBSQMISA-N	238.440	4.736	0	10	BJAE	
C(=C/c1ccccc1)\CSCC1CCCC1	1559476888	IYFXHJJGIWYDCD-IZZDOVSWSA-N	232.392	4.623	0	10	BJAE	
CC(=CCc1csc(C)n1)CCCC(C)C	1900902176	BDPUURFSKXCCCL-UHFFFAOYSA-N	237.412	4.767	0	10	BJAE	
CCC[C@H](C)C(=O)CCCC1=CCCCC1	1901966792	NQOGDMJTPZVBQD-ZDUSSCGKSA-N	222.372	4.662	0	10	BJAE	
CC[C@@H](C)CC(=O)CC[C@H]1CCC(C)(C)C1	1903417599	MELBFADCNUXWQS-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C(C)(C)C(C)(C)C	1905447937	XMTKYSWNBGUYAP-OLZOCXBDSA-N	228.420	4.636	0	10	BJAE	
C=CC=CCCC(=O)C1CCC(C(C)(C)C)CC1	1911806102	JSMSIFOXYANOIE-UHFFFAOYSA-N	248.410	4.930	0	10	BJAE	
CC(C)CCCCN[C@H]1CCC2(CCCC2)C1	1916417067	HFOFZNGHOBGAND-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1CC(CN[C@H]2CCCCC23CCCC3)C1	1921245731	ARJHVLCZUXKQBF-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCCC1(NCCC(CC)CC)CCCC1	1926182921	PSNKOUJMMVBTKR-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC1CCC(C=C2CCC(C)(C)C[C@H]2CN)CC1	1927147717	PPHVQTHJOAYROU-XUJLQICISA-N	249.442	4.524	0	10	BJAE	
CC[C@@H](C(=O)CCC1=CCCCC1)C(C)C	1936211416	VJLPOWBLFYASLZ-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)CNCC[C@H](C)CCC	1937294614	VQCZGIYCHMLFJK-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CCCCCCC1(CO)CCC(C)(C)CC1	1939895396	LSVSIDQIMYKFCU-UHFFFAOYSA-N	226.404	4.536	0	10	BJAE	
CC[C@@H](C)CC(=O)[C@@H]1CCCC(C)(C)CC1	1939901386	UAWVYZWLSJMKPW-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCC1CCC(N)(C2=CCCCCC2)CC1	1940172737	AFUZEPYYVYKHEW-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](CCCC2(C)CC2)C1	1940884675	ZBTBDPZJRWTBJX-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCc1oc2c(cc(Cl)c3ccccc32)c1O	1941152924	ZXEOGGFNNLROEZ-UHFFFAOYSA-N	246.693	4.507	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@@H]1CCC[C@@H](C)C1)C(C)C	1941265849	YVXUZZOUCRQEKF-KFWWJZLASA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CCCC2CC2)CC1	1941583764	IPYYJFNSGODGSB-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@H](C)CCC(C)C	1942651762	ABLFYAHFMRNXPO-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)C[C@H](C)CC(C)(C)C	1942653782	ULMNBNOPWZXCRJ-KKUMJFAQSA-N	242.447	4.882	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@@]12CCCC[C@H]1CCC2	1944155365	DNMXWAQJTTWLQN-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C(C)(C)C1CCCC1	1944633394	ZSKIWLBHFMQJHB-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCCc1ccccc1C(=O)C(C)(C)C(C)C	1944635218	OTOOKYFDXXYYGE-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@H]1CC1(C)C	1944740432	BXEYGTQHVQGZKC-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1nc2c(s1)[C@H]1CCCCC[C@H]1C2	1947860918	XIGJSTGLLWSWQW-QWRGUYRKSA-N	249.423	4.661	0	10	BJAE	
Cc1cscc1C(=O)[C@]12CCCC[C@@H]1CCC2	1948008631	RJPXMASHEWPLIA-DOMZBBRYSA-N	248.391	4.600	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCCC(F)(F)CC1	1948119987	CRQPFTSHRVWYHR-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2CCC[C@H](C)C2)CCC1	1948925252	ZZTIQYNIJBPVCB-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CCC(C)(C)C1CC1	1949032121	IYUSFBONKSIWJD-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCC2(CCCC2)C1	1949507032	PVRAWUFWKMAWIG-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
N[C@H](CCCC1CCCCC1)CC1CCCC1	1949861165	CINGBQPNMYZODO-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
O=C(CC[C@H]1CC=CCC1)CC1CCCCC1	1949920351	ZFNUACCUVNTGKI-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC=CCCc1cc(C)c(OCCC)cc1C	1951309168	VZWBZINVDJFPSD-UHFFFAOYSA-N	232.367	4.601	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](NC[C@@H]2CCC=CCCC2)C1	1966015697	JGWJIHFUBCZNDY-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CSc1cccc(N[C@H]2CCC3(CCC3)C2)c1	1968262181	HCKWKOCAGWLNPY-ZDUSSCGKSA-N	247.407	4.543	0	10	BJAE	
Cc1ccc(O[C@@H]2CCC3(CCCC3)C2)cc1F	1968596147	QUOAYBBKVBCLQJ-CQSZACIVSA-N	248.341	4.626	0	10	BJAE	
CC[C@@H](Nc1cccc(F)c1C)C1CCCCC1	1968648464	OEKNVDHSJJGCOU-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCCC[C@@H]1CC	1968859102	JXOPXWINRNDOEI-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](C)(N)[C@@H]1CCCC(C)(C)C1	1978437240	OTFSAJRGNOROEY-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1CCC[C@@H]1C	1978450688	UQLHGKFDZXDDFU-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](NC)c1csc(C(F)F)c1	1978583091	RLDBQZQHJDAVDR-SNVBAGLBSA-N	247.354	4.527	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCCC[C@H]1CC	1984592469	CNLUTHQTKJOVQA-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](C)C(=O)CCC(C(C)C)C(C)C	1988298420	ZWJQDYGXKGSHDF-ZDUSSCGKSA-N	226.404	4.700	0	10	BJAE	
CCCCC[C@](O)(CC)CCC[C@H]1C[C@@H]1C	1990092425	ZJQIHRRMCIJSOQ-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCCC(C)(C)C1=O	1991626049	IGSXZJAKRXAYJX-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@H]2CC[C@H](C)C2)CC1	1996273172	SMTHRYUQHKTCHU-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)c2ccc(Cl)cc2)C1	2000189764	CALRJECRMXGULG-MFKMUULPSA-N	248.753	4.515	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1	2000214889	KLLSMKUQKZANBK-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CC[C@H]2C[C@@H]2C1	2000215003	MDSNMVGFXKGCJG-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CNC(C)(C)C)CC1CC1	2000503728	ACXIWFLLEJXZIO-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CCC1CC1)CNCC(C)C	2000512803	YURPZXBLWXAFHT-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)C1C[C@H](C)C[C@@H](C)C1	2000909117	HVIPTDURNCFNLF-MCIONIFRSA-N	239.447	4.568	0	10	BJAE	
Clc1ccc2c(ccn2[C@@H]2CC[C@H]3C[C@@H]3C2)c1	2001464648	RGQYGIRQMNBUII-ZKYQVNSYSA-N	245.753	4.656	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H]1[C@H]2CCCCC[C@H]21	2002203135	ZSTPRLGLWOUJLF-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@]1(C)CCCC1(F)F	2002579797	OIZYOEFRZNGFNQ-DGCLKSJQSA-N	246.341	4.597	0	10	BJAE	
Cc1cc(C)cc(NCC2(C)CC(C)(C)C2)c1	2003385203	VDTNSOUMOMYOIT-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCCC(C)=C1C	2006912343	FEILEFLZMHHRNT-RCBQFDQVSA-N	237.431	4.680	0	10	BJAE	
CC1CCC(C)([C@H](O)CCCC(C)(C)C)CC1	2007690313	AMZKKMYTAPVWTB-NPCAHTBFSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CCC(C)C)C1=CC[C@@H](CC)CC1	2010711899	DXWOABVFPIAMDO-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2010728132	CIZUHXPHSIEWPJ-LSDHHAIUSA-N	237.431	4.523	0	10	BJAE	
c1ccc([C@H]2C[C@@H]2CC2CC(=C3CC3)C2)cc1	2011087962	CHEDWQIUPHQIRL-DLBZAZTESA-N	224.347	4.681	0	10	BJAE	
C[C@@H](C(=O)CCC[C@H]1C[C@H]1C)C1CCCCC1	2011570571	TZZWZBTWBYNVSX-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCC(=O)[C@]1(C)CCCC(F)(F)C1	2014956990	JKVOKFKJXCSJAV-CYBMUJFWSA-N	244.325	4.518	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC(C(C)C)C(C)C	2015278116	LTXJGOTYVZLWLN-OAHLLOKOSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(CCN1CCCCCCC1)C(C)C	2015393623	FNHUVUDZBHDFBZ-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC(C)[C@H](C)C[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2015396448	DWBMADSTAAHEDN-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CC=CCCC[C@@H](NC)C1(C(C)(C)C)CCC1	2017135407	UXWIQOHJCOUGCO-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NCC)C(C)=C(C)C	2017479118	YMRBYWBQWYGXMG-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCC(C)(C)CCN[C@@]1(C)CCCC(C)(C)C1	2017620302	VVTYHTAUXZSPHB-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@@H](CC)C[C@H]1CC[C@H](CC)CC1	2017724780	OGZCHYPRVSZILC-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H](C)CC(C)C	2018188352	MIZHNMKUHLRAHJ-HOTGVXAUSA-N	241.463	4.959	0	10	BJAE	
C[C@H](Nc1ccccc1C1CC1)C1CCCC1	2021026096	KRDXAHMBGQJEEJ-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
Cc1cc(-c2ccc(Cl)cc2C)c(C)cc1N	2024331295	WFUIPRGFISFABO-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC(C)c1ccc(-c2nc(Cl)ccc2F)cc1	2024685415	OTZAIEOMQSZXTD-UHFFFAOYSA-N	249.716	4.665	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CC[C@H](C(C)C)C1	2025574017	COLHHHMVGSCFPB-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@@H]1Cc1nc(C2CCCCCC2)cs1	2026596448	GWUSUSMKDDBNTE-WCQYABFASA-N	249.423	4.779	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)C1CCC2(CC1)CC2	2027823274	VTSWSROSTVUWRA-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)[C@H](CC)C(C)C	2028261990	ITMLLQXLKLCJER-IAGOWNOFSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@@H](C=Cc1ccccc1)[C@@H](C)CCC	2028584386	UUINZAGNGJRQBF-RDJZCZTQSA-N	245.410	4.504	0	10	BJAE	
CN[C@@H](c1ccc(C2CC2)cc1)[C@@H](C)C(C)(C)C	2028606223	UNSNIXPXGWHCJT-MLGOLLRUSA-N	245.410	4.507	0	10	BJAE	
CCCCC[C@@H](NC)c1ccccc1CC(C)C	2028915133	MOODATMQYFXZTH-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCc1cccc(C)c1NC1CC(C2CCC2)C1	2029282260	BSNJPVSFTJIKEC-UHFFFAOYSA-N	243.394	4.548	0	10	BJAE	
CC[C@H](NC[C@@]12CCCC[C@@H]1CCC2)C1CCC1	2031787254	BKIXUDXFVJDKLH-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CCN[C@H]1CCCCC12CCCC2)C1CC1	2032224069	LXBZOBHARGQRJC-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC[C@@H](C)c1ccccc1)CC(C)C	2036948630	CPUCVCXHGRZUHF-NVXWUHKLSA-N	247.426	4.595	0	10	BJAE	
CN[C@H](CCCC=Cc1ccccc1)CC(C)C	2036961382	GNVQMYCFSKTWQP-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@H](CC=Cc1ccccc1)C(C)(C)C	2038072863	WHXZQXPUKXEFEE-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2038327423	MILWWLFPVDOUBS-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@@]1(CCCC2CCC2)CC=CCC1	2042093501	HXDBNMWUGXITJN-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1CC([C@@H](C)N[C@@H]2CCCCC23CCCC3)C1	2043547321	PCJJRMCBBRISNJ-GYTBAZASSA-N	249.442	4.514	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C2C[C@H](C)C[C@@H](C)C2)C1	2045559816	FBDUZUHZGMMGQJ-MYPMTAMASA-N	248.410	4.620	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1ccc(CC(C)C)cc1	2045586658	FNLRJSUORMENSB-ZBFHGGJFSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@H](c1coc(C)c1)C1(CCC)CCC1	2045814495	ZZORRRGKKLQERY-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@H]2CC23CCCCC3)[C@H](C)C1	2047060937	BEHMNGGNCFTELZ-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CNCC[C@]12CCCCC21CCCCC1	2047566920	TXBDELMUYIBSPO-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC(C)NC[C@@]1(C2CCCCC2)CCC12CCC2	2047935927	MRYOSXHOQFJSES-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@H]2C=CCCCC2)C1	2049534468	XVPPELBXSPRODR-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)[C@H]2CCC[C@H](C)C2)c1	2049539447	GTZNASSIBPSFLJ-YUTCNCBUSA-N	249.373	4.761	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@H]1CCC2(CC2)C1	2049865991	OCXBUJSBVFTPSM-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC=C(C)C)c1ccccc1C1CC1	2051405602	FAKAMTICNHMPBK-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
C[C@H]1C[C@H](N[C@@H]2CCCCC23CC3)CC(C)(C)C1	2053345615	KBXMSTADUPJQCO-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CCCCC23CC3)CC1	2053359792	SOALTAZPMVIQAN-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CN(CC1(C)CCCCC1)[C@@H]1CCCCC12CC2	2053435101	ADZRLQRTICEGDF-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](N[C@H]1C=C(C)CCC1)c1cccc(C)c1	2055552524	PTDHFVXMZRGAHK-SJORKVTESA-N	243.394	4.535	0	10	BJAE	
CC1=C(C)[C@](N)(CC2CCC3(CC2)CC3)CCC1	2055608107	PKRQHXHQOJERAO-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)NCC1(CC2CC2)CCC2(CC2)CC1	2056525019	BZLQNIYRZNDCRD-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2C=CCCCC2)CC1	2056538597	YDZBQJSWDWSLJU-CKDBGZEDSA-N	248.410	4.908	0	10	BJAE	
CC(C)C1CC(CC(=O)[C@@H]2CCCC3(CC3)C2)C1	2056665442	CTRYLTCYKOYFPX-SHARSMKWSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C2(C3CC3)CCCC2)C1	2057608868	KLDYGRCQCRVCGK-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@H]1C(C)=CCC[C@@H]1C	2059174075	VBVJYZZAKRIRMW-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(N[C@H](C2CCCCC2)C2CC2)C1	2059392866	XQLZNLGYMXJNKL-QWFMPGPPSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)C1(C)CCCCC1	2061092343	PLBOJUDIFMFLHK-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC1CCC1)C[C@@]12CCC[C@H]1C2	2061614302	VATUIPWSNYSFON-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@@]12CCC[C@@H]1C2)CC1(C)CCCC1	2061638795	QIDDQIUWZNINID-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC(C)(C)C(C)C)C1CC(=C2CCC2)C1	2061735144	VOXDKPHUGLTWTN-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CCCC1(CN)CC2(C1)CC21CCC1	2064005708	SSIOWGMTFZDKDL-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCCC[C@H](CC)CNC1CC2(C1)CC21CCC1	2064122093	KLZTZIPJGHAHQR-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1CC1)CC12CCC(CC1)CC2	2065307256	FDNNKXUHTSASFB-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CNC1CC1)CC12CCC(CC1)C2	2065335668	RLHVGPVZJQMGIC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
NCC[C@H]1CCC[C@@H](CC23CCC(CC2)CC3)C1	2065339376	YZRYJDLNUDUNFN-JCCCHCCOSA-N	249.442	4.502	0	10	BJAE	
CCCC(CCC)CNc1cc(O)c(C)cc1C	2065467397	AMHQIXYRTRQXNC-UHFFFAOYSA-N	249.398	4.637	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)C1(CC2CC2)CCC1	2069513961	OSLXCBIIBABAED-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCC1(CC2CCC2)CC1	2069587575	STBPXCKLEAMRKJ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](N[C@@H](C)CCC=C(C)C)c1ccccc1	2070413067	IHSLFRBNFRNBRU-DOTOQJQBSA-N	245.410	4.862	0	10	BJAE	
CCC[C@H](NCC[C@@H]1C[C@@H]1CC)c1ccccc1	2071467467	WGKFFQPCRXXEBK-UAGQMJEPSA-N	245.410	4.554	0	10	BJAE	
C1CCCC(CCN[C@H]2CC[C@H]2C2CCC2)CC1	2071789392	KDYHIMWOEOOROG-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(C[C@@H](N)[C@@H]2CCCC3(CC3)C2)CCC1	2071950872	QTQARSMQKVIASL-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1(CC2CCC2)CC1	2072420650	XDUJBVAWWSPIDF-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CC(C)=C[C@H](C)C1	2072422563	CZWLVIZJCKWOQQ-IAOVAPTHSA-N	249.442	4.703	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC[C@H]1CC[C@H](C)CC1	2072804687	VHBZHQZTWLOWBV-BFYDXBDKSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@@]12CCCC[C@@H]1C2	2074026839	XAZWMSCCRYQMTN-SVGFKBNWSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](N2CCCC23CCCCC3)CC[C@H]1C	2074800405	VLEDEWFHZIIKSI-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](NCC)C1=CCCCCCC1	2079442246	ZAUQBCFVNKCGPD-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2079493034	VEFCTEFWTALWEX-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCCC1(NC[C@H]2C[C@@H]2C2CCCC2)CCCC1	2079651347	PTUQHZXPFQKIST-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2c(ccn2C[C@@H]2C[C@@H]2C(C)(C)C)c1	2079818105	HUGUIHWGCDKTEM-GJZGRUSLSA-N	241.378	4.632	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@H]1C[C@H]1C1CCCC1	2079849885	BMURCCXKKVXPLP-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
F[C@@H](CNc1cccc(C2CCC2)c1)C1CCC1	2083777584	HPCRMZAIYOWACN-INIZCTEOSA-N	247.357	4.504	0	10	BJAE	
Cc1ccc(NCc2sc(C)c(C)c2C)cc1	2215533630	OOCRPGQBWIEJCJ-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCCCC(F)F)C1	2216521671	JUNQHGYHLHFNHF-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CC[C@@H]1C(=O)CCCCCCCC1CC1	2216863564	QAIBWJWAWJFHGD-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CCCNCCCCCCCC1CC1	2216887827	HQBADQAHCKJYMT-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
C[C@H]1[C@H](C)C[C@]1(O)CCCCCCCC1CC1	2216894349	GJZMMEZOHQHSNQ-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CCC(C)(C)C)C=CCC1	2217129152	JRMNFXXHRXUQEQ-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)NC[C@@H](C)C[C@H]1CC[C@H](CC)CC1	2217159293	MDAFDGZWKKACPR-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
O=C(CC[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218326994	FQKWONZFUTWESY-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@H]1C[C@H]2CCC[C@H](C2)C1	2218333754	LOGIHHXNWZPANQ-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@H]1C[C@H]2CCC[C@H](C2)C1)C1(C)CCCC1	2218341170	VSCSNXSODKMABM-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
C(CCC[C@H]1CCN[C@@H](C2CC2)C1)CCC1CC1	2218728319	ULVZIKIWJRAHRY-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
C[C@@]12CCCC[C@H]1CN2CCCCCCC1CC1	2218731924	NERFLAQRKKIJNT-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
CN[C@@H](CCCCC1CC1)c1ccc(C)cc1C	2220024342	DXJSJPFVDJIOCU-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1CC1(C)CC2(CCC2)C1	2221040339	NUIWKVYENKIIKY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](c1ccccc1)[C@H](N)C[C@H](C)CC(C)(C)C	2224166126	QKDNKVHJURJRRN-OFQRWUPVSA-N	247.426	4.580	0	10	BJAE	
CCCCCC[C@](C)(N)CC1(C)CC(C)C1	2242708236	YAFSPGQGAWZGQS-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
Cc1sc(CC=Cc2ccccc2)c(C)c1C	2246821247	CSQZQNVXEQRJMB-UHFFFAOYSA-N	242.387	4.929	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@H]1CCCC1(C)C	2247170271	GTRLJPIIQBDBGF-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1CCC1(C)C	2247444430	ANGADBCHNLWPGU-ZDUSSCGKSA-N	232.367	4.625	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@@H](C)CC1=CCCCC1	2247495425	DSXBHKKQVZPEPP-UONOGXRCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cccc(C(C)C)c1	2250356372	QMRDSWLSLSYYCT-BBRMVZONSA-N	234.383	4.670	0	10	BJAE	
CCCC(C)(C)C(=O)CC1CC2(CC(C)C2)C1	2250437783	JXKYGQLMZXRPIZ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@@H](CCC[C@H]2CCCCC23CC3)CN1	2253891359	VZBSUYQFFVZNHV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CC[C@H]2CC[C@H]1C2	2257312278	RFNAQSCBZPMSPM-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cccc(C2(C)CC2)c1	2259436965	PVELPRLEYGBNFX-ZDUSSCGKSA-N	244.378	4.747	0	10	BJAE	
CN[C@H](C[C@@]12CCC[C@@H]1CC2)C1(C)CCCCC1	2260589222	WYAZEXVUDCSWLB-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@]23CCC[C@H]2CC3)C1	2260673096	QTFXTYPEOIUNPU-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(CCC(=O)c2ccco2)C1	2261222171	FYLQIBPSEGIGTG-UHFFFAOYSA-N	248.366	4.705	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H](C)CC1CC1	2298906770	BQHBZFHDLBCYEZ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C[C@@H]1CCC(C)(C)C1	2302895399	IITBFSQNLWLPMG-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CCC(C)(C)C1)C(C)(C)C	2302903460	ZQXUUVCDWARHFE-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)CCCC2(C)C)C1	2304406270	BBMXLTJIRBVNDK-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCCC[C@H]1CC	2307832671	VLWXHJMRHCDWCB-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)CC[C@H](NCC)c1ccco1	2307897925	GCNGTRDKNSHZFX-KBPBESRZSA-N	237.387	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@H](O)CC2(CCC2)C1	2307901704	IXAPZZXCOBSHSC-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)CC(C)(C)F	2307911331	USDVUDQSSPVAQT-UONOGXRCSA-N	245.426	4.709	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2CC[C@@H]3CC[C@@H]32)CC1	2308171616	MLZFENNVXRKAFN-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCC[C@@H]3CCCC[C@@H]32)C1	2308964405	FXIZCWPXMPRDRE-XHSDSOJGSA-N	249.442	4.610	0	10	BJAE	
C[C@H](CC1CCC1)N1CCCC12CCCCCC2	2313654597	KZCJTOVHTHYSFY-OAHLLOKOSA-N	249.442	4.754	0	10	BJAE	
CCC[C@@](N)(c1ccc(C)c(CC)c1)C(C)(C)C	2314699153	GYOFZNOPLOVRHO-QGZVFWFLSA-N	247.426	4.558	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1Nc1cccc(C2CCCC2)c1	2316580833	BMNBVAYPGIXLQC-CHWSQXEVSA-N	243.394	4.801	0	10	BJAE	
C[C@](N)(CC1CCCCCC1)[C@]12CCCC[C@@H]1C2	2316884218	GQWARCCINKSHSK-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)c1cccc(C2CC2)c1	2317825775	ZYEHGXFYNNDQLH-OLZOCXBDSA-N	244.378	4.675	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Cc1cccc2c1NCCC2	2317834448	JRLDMYIYCDKHAU-KBPBESRZSA-N	245.410	4.515	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C1[C@H](C)C[C@H]1C	2317906916	LXNFRDQQSOGEKP-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(O)CCC=Cc1ccccc1	2317912996	YSLXVZMTXQZUQQ-RDJZCZTQSA-N	246.394	4.523	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@H](C)[C@H](C)C(C)C)N2	2317949939	DJTMQNNLZCTBDJ-IIAWOOMASA-N	245.410	4.650	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N1CCC[C@H]1c1ccccc1	2318006573	ABXDMVFARLZLRK-UXLLHSPISA-N	245.410	4.504	0	10	BJAE	
Cc1coc(C)c1C(=O)CCCC1=CCCCC1	2318502212	GRWYPJQULJGCKA-UHFFFAOYSA-N	246.350	4.750	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)C1CC2(CCC2)C1	2318541851	VADXLSFVYKFGKY-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CC[C@@](N)(CCCC1=CCCCC1)c1ccco1	2318579569	HXDQGKWXOYRJEA-MRXNPFEDSA-N	247.382	4.514	0	10	BJAE	
Cc1ccccc1N(C)CCCC1=CCCCC1	2318582448	CVOFLABTFYHPEQ-UHFFFAOYSA-N	243.394	4.712	0	10	BJAE	
CCc1cccc(C)c1NCCCC[C@H]1C[C@@H]1C	2318881172	WVSXGDWEMVGZGC-HOCLYGCPSA-N	245.410	4.796	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)CCC[C@@H]2C[C@@H]2C)CC1	2318928707	DMROWZVOXDLHND-XOSAIJSUSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(C3CC3)CCCCCN2)C1	2319030798	OTFPGGNAAWUAQT-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCCC[C@H]3C[C@H]32)CC1	2319257959	GMXXTTWHRLRIRR-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@H](N)CC[C@@H]2CC[C@@H]2C2CC2)CCCC1	2319734840	SHJNPKVTOIKOSN-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN(C)CCC1=CCCCC1	2320024829	YAYSYOGCJSUUFZ-NVXWUHKLSA-N	249.442	4.635	0	10	BJAE	
CC[C@@H](N[C@@H]1CC[C@H]1C(C)(C)C)c1ccccc1	2320134038	JSBBYAOUTVSXGH-BZUAXINKSA-N	245.410	4.552	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(N)CCC3(CCC3)C2)CC1	2320333479	HFVFQEINFVKDMU-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(C(C)(C)C)CCCN2)CC1	2320334505	PWJSYRFEBSMZRL-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)c2cccc(C)c2)CC1	2320388473	QMLVSMYPZHDIPO-MRXNPFEDSA-N	243.394	4.568	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2C[C@@H]3CC[C@H]3C2)CC1	2320393828	JTKYEJUQOPSZCF-ILXRZTDVSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CC2=CCCCC2)CC1	2320399950	VFAAIEBYMOJZAK-INIZCTEOSA-N	246.394	4.973	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@]2(C)CCCC2(C)C)CC1	2320412717	PFRTZUCCCDUTPX-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)CC[C@@H]2C[C@H]2C)c1	2327780572	CVHCLAFSNNPZED-ZIAGYGMSSA-N	244.378	4.737	0	10	BJAE	
CCCCCCc1ccc(C(O)(CC)CC)cc1	2327919458	VYCSCKYGBKPIKR-UHFFFAOYSA-N	248.410	4.817	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1coc2ccccc12	2328270845	CNMMRARSKWUGPF-WFASDCNBSA-N	245.366	4.649	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc([C@@H]2C[C@H]2C)o1	2328278416	QDUDKSGSKDTVCW-RQJABVFESA-N	249.398	4.619	0	10	BJAE	
CCCCCCNc1cccc(Cl)c1Cl	20359402	FZAOGGDMTLDDGU-UHFFFAOYSA-N	246.181	4.986	0	10	BJAE	
CC(C)c1ccc(NC2CCCCCC2)cc1	21053903	VHEWGIPLNWAPOY-UHFFFAOYSA-N	231.383	4.945	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CCC[C@H](C)C1	21801394	RZMYDRPQLDAOQH-GWCFXTLKSA-N	237.774	4.639	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1C[C@H](C)CC(C)(C)C1	36662981	JGPJPGITHDMVJO-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1ccc(C(C)C)cc1	36819968	BGYFOYMSAPYTHZ-BBRMVZONSA-N	233.399	4.507	0	10	BJAE	
CCCN[C@H](c1ccc(C(C)C)cc1)[C@H](C)CC	36820170	ZSGSJRIOGILICX-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
C[C@@H](Nc1ccc2sccc2c1)C1(C)CC1	36976070	QHUCPIIHYJNKNV-SNVBAGLBSA-N	231.364	4.502	0	10	BJAE	
Clc1nccc2cc(C3CCCCC3)ccc12	71482491	JDDSARMBKGJTQM-UHFFFAOYSA-N	245.753	4.936	0	10	BJAE	
CC(=O)c1cc(-c2ccc(C)s2)oc1C(C)C	77080263	IYOKTWXEFXGIOZ-UHFFFAOYSA-N	248.347	4.643	0	10	BJAE	
CCCCCC[C@@H](O)C1CCC(CC)CC1	82849003	WMXPOCYJCXXISQ-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCC(C)(C)CC1	86898106	OAFKNRWJWCZJGK-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCC[C@H](C(C)C)CC1	86941382	NJSILZUVEANKCL-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)CC1(CN)CCC(C(C)C)CC1	87961478	LWZOGELSVAUCEK-FHERZECASA-N	239.447	4.604	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC1CCC(C(C)C)CC1	88294202	HBNFMDKPTQMZMH-QRNKSROTSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)Cn1ccc(C(=O)CCC)c1	91819161	FJZCLCBFUOHYFA-AWEZNQCLSA-N	249.398	4.687	0	10	BJAE	
CCCC[C@H](CNC(C)(C)C)c1cccc(C)c1	93126515	QVXILCUJYNWNHR-MRXNPFEDSA-N	247.426	4.657	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@@H]1CCCCC1(C)C	94323874	RGYMJLSVVNLKNI-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@]1(N)CCCC[C@@H]1c1ccccc1	104161229	PPPHRJFABRTEGI-IAGOWNOFSA-N	245.410	4.622	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)c1coc2ccccc12	122885974	UUTXTYKNTGGYTG-SWLSCSKDSA-N	245.366	4.520	0	10	BJAE	
CCC(CC)C[C@H](O)CC1CCCCCC1	124247740	DBDZPBYZNZWAQX-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)CC1CCCCCC1	126125168	VZQAWVGOCDXBIK-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H](C)CCC	133442752	VBKAJKUDVNTFLY-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
C[C@H](CCC1CCCCC1)c1ccc(N)cc1	139229115	AUKNLXFZBBXTOQ-CYBMUJFWSA-N	231.383	4.733	0	10	BJAE	
Cc1ccc(O)c(-c2cccc3ccsc23)c1	156849775	ZDJUNYGBJSISEI-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@@H](CC)c1ccccc1	158617657	SSPNIHWLLWYJLS-DLBZAZTESA-N	247.426	4.595	0	10	BJAE	
CCCc1cccc([C@@H](O)CC2=CCCCC2)c1	161063299	LTIOTBQCVWEELN-KRWDZBQOSA-N	244.378	4.563	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1(O)CCCCC1	164635473	PYZROHXGLFYBFJ-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCCCC(=O)[C@H](c1ccccc1)[C@@H](C)CC	164719889	VLBFBPAZBXQCQK-BBRMVZONSA-N	232.367	4.576	0	10	BJAE	
CC(C)CCCC1(CNC(C)C)CCCCC1	166075011	INPHEQHBBQILBM-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](c1cccc(C2CCC2)c1)C(C)(C)C	169035715	UBQLRBLMNAUZHN-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](C)CC[C@@H]1CN	218597006	STIXOPYIBGEAOE-JONQDZQNSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](CCC)c1ccncc1Cl	222808463	NNFVEUNGBUNLAS-LLVKDONJSA-N	225.763	4.809	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C1CCCCCC1	227359371	ICJWTRZRBJZADM-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@H](C)C(C)(C)C	229557732	JFIHMJLZSAWXHU-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc2oc([C@@H](CC)NC)cc2c1	232359574	VKNVJALHKBRPNA-SMDDNHRTSA-N	245.366	4.617	0	10	BJAE	
CCC(=O)c1ccc(N[C@@H](C)CCC(C)C)cc1	232872356	SLIOJXBUFBDWAD-ZDUSSCGKSA-N	247.382	4.516	0	10	BJAE	
CCC(C)(C)CN[C@H](C)c1cc2ccccc2o1	232996017	RLKBOICRBAMGEK-GFCCVEGCSA-N	245.366	4.520	0	10	BJAE	
C[C@H](NC1CCCCCCC1)[C@H]1C[C@H]2CC[C@H]1C2	251702000	XLCJGOZXECBQNM-QBYUYEEZSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(C(C)C)c([C@@H]2CCCCN2)c1	258304546	JNELNKLZCJXNQD-KRWDZBQOSA-N	245.410	4.748	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@H]2CCCC(C)(C)C2)C1	300078103	HUUKWSPNAIZXOV-BPUTZDHNSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)C(=O)CCC1CCCCC1	300901234	IYVLWQGBVMHCHR-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H](NCCCC(C)(C)C)C1CCCCC1	302260925	FBZASAZZARHGMV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)CCC(C)(C)C)cc1	302482459	HSNXZLHPLBBUDE-HUUCEWRRSA-N	247.426	4.860	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H](C)CC(C)C)c1C	304172828	MCFASTWVJSURHB-LBPRGKRZSA-N	232.367	4.558	0	10	BJAE	
CC(C)(C)CCC[C@](C)(O)CCC(C)(C)C	304414656	QDRSNJSMVWPBHF-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@H](C)CC2)c1F	305942083	FMBHEWGZQSIPQS-AAEUAGOBSA-N	235.346	4.515	0	10	BJAE	
Cc1c(C(F)F)cc(Cl)c2sccc12	307309599	PKNLWDNTTLGOJK-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@H](CC(C)C)c1nc2c([nH]1)C[C@@H](C)C[C@@H]2C	308085101	FOPPUYNSONHIEW-RWMBFGLXSA-N	248.414	4.635	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)C[C@H](C)CC(C)(C)C1	309995359	SDKJAVAFJJIACQ-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)[C@H]1CCC[C@@H](CC)C1	310061315	RPLTZVCWSSMUOQ-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC)CC1CCC(C)(C)CC1	310515381	MHLCDZVNVPRYKT-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)(C)C)cc1)[C@@H]1C[C@H]1C	322151348	IKKCLXLVSQRBAT-WQVCFCJDSA-N	245.410	4.831	0	10	BJAE	
CCCc1ccccc1[C@H](O)C[C@H](C)C(C)(C)C	384504710	QQCSHQLSDNYHEC-XJKSGUPXSA-N	248.410	4.745	0	10	BJAE	
CCCCC[C@H](N[C@@H]1CC[C@@H]1C)c1ccccc1	384941810	CKNHBKNPGQKMCC-UAGQMJEPSA-N	245.410	4.696	0	10	BJAE	
Cc1cc([C@H](N)CC2CCC(C)(C)CC2)c(C)o1	385307196	ZHPWMSKVDSGDBK-OAHLLOKOSA-N	249.398	4.503	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)c1cc2ccccc2o1	386807131	NKKPETDEQKPHQT-AWEZNQCLSA-N	245.366	4.505	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C(C)(C)C(C)(C)C	386891127	XVTPBBGIOIRUSV-HNNXBMFYSA-N	248.410	4.916	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H]1CCCC[C@H]1C	395047154	PCUWPILLYIZLFQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1cc2ccccc2o1	395232869	QKGBZPMORAWFKW-HNNXBMFYSA-N	246.350	4.683	0	10	BJAE	
CCc1cc(C(F)F)c2c(S)csc2c1	396232580	AMTBHTVOEVLRAW-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1c(C(F)F)sc2cc(S)ccc12	396235741	GRXKTQDDWJXNRU-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@]1(C)C(C)C)c1ccccc1	397239920	RATXXFQQKYONMX-YESZJQIVSA-N	245.410	4.552	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H](C)C1CCC1	398823106	DWYNNFDLDLGMLO-CYBMUJFWSA-N	231.383	4.658	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@@H]1CCCC1(C)C	401012927	CCPBEBQDSVRKHF-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1Cl)C(C)(C)C	687799175	DVHVDSYIRYZBKL-QMMMGPOBSA-N	246.181	4.840	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CCC(C)(C)C2)c1	689611932	LCWSYTHYEOVQOS-HNNXBMFYSA-N	245.410	4.802	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(O)CCCC1CC1	691175670	PCBQARQTAJMSIU-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
O=C(CC1CC=CC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	692094699	NLUTYHKFVUMXJM-OWCLPIDISA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@]12CCCC[C@H]1C2	693186303	VCUNRYWVOYQDAC-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@H](O)CCCCCC(C)C	696590718	CEWPYLDFJXIFQL-CQSZACIVSA-N	228.420	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)c1ccc(C)c(C)c1	696679671	VOFYAWMSGNVOLH-QGZVFWFLSA-N	247.426	4.694	0	10	BJAE	
NC[C@@H](CC1CCCCC1)C1CCCCCC1	696833888	WGJRVEMLULKHNI-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1ccc(C)c(C)c1	697775910	WPYNBZCMIDVQLD-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCCc1ccccc1OCC1CCCCC1	699492041	VHYZNQUGJNLJCB-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CCCCCC[C@](N)(CCC)[C@@H]1CC1(C)C	704471076	HDBNVJAIVVTZAC-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCCC[C@H](C)CC(F)(F)F	704573760	IBTGPVGXXUFRJT-JTQLQIEISA-N	208.267	4.711	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCCC12CCC2	704906919	GCMWAIUMXXGGBG-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C)c1csc([C@@H]2CCCC23CC3)n1	706289877	PXHHWCOFYXYKGB-MNOVXSKESA-N	235.396	4.704	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@@H]1CC2CCC1CC2	707608467	PWAZKBFCTQCEKN-KMZOKZLKSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@@H](C)C(C)(C)C	709117321	INZOOTFMJJVCMN-VXGBXAGGSA-N	226.404	4.700	0	10	BJAE	
CCN[C@H](CCC[C@H](C)CC(C)(C)C)C(C)C	709182259	BMBSSLRMHNLTBB-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(C)(C)C)c1nc2c([nH]1)[C@H](C)[C@H](C)CC2	709272536	LLOMVMZQIUKXBG-IJLUTSLNSA-N	248.414	4.635	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCCC2(CC2)C1	709977151	LIEYDWAOWCMLQB-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](NC)c1cscc1Cl	710478349	YHCFUVJGLGMCHU-LBPRGKRZSA-N	245.819	4.632	0	10	BJAE	
CCCC1CCC(Nc2csc(C)c2)CC1	710758268	KVOAZOCQGWIOKA-UHFFFAOYSA-N	237.412	4.827	0	10	BJAE	
C[C@H](C[C@H](N)C[C@H](C)C(C)(C)C)CC(C)(C)C	711106419	GJZIKLUKQRVXDN-RDBSUJKOSA-N	241.463	4.848	0	10	BJAE	
CCc1ccccc1[C@H](N)C[C@H](CC)C(C)(C)C	711117105	GEIANYARROFXFJ-GOEBONIOSA-N	247.426	4.711	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CCC(C)(C)CC	711293264	JVPDBZCJTFANSB-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC[C@H]2CCCC[C@H]2N1	712351710	IFBPSZNWVJCGOP-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)[C@@H](CC)CC(C)C	713680873	CTNYJYCIHIQEGL-IGXNXKSNSA-N	237.431	4.559	0	10	BJAE	
CC1(C)CCC(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)CC1	714313775	CPSRHDWLCYIBLQ-CWRNSKLLSA-N	249.442	4.514	0	10	BJAE	
CC/C=C/C[C@H](CC)c1cccc(F)c1F	714545739	AMTFLACXGUCXBV-QRGHLMKCSA-N	224.294	4.815	0	10	BJAE	
C/C=C/C[C@H](CC)c1ccc(C)c(C)c1	714565516	GJJCQFAGOVGTFQ-DYLGSBMWSA-N	202.341	4.763	0	10	BJAE	
C[C@@H](C[C@@]1(CN)CCC=CCCC1)C(C)(C)C	719016733	AVTULUHXIPINPM-GOEBONIOSA-N	237.431	4.524	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cscc1C(F)F	720230590	QTYMKVDFSOHBTB-LDYMZIIASA-N	247.354	4.512	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](N)C2(C)CCC2)cc1	720706861	HJJOOXNAOOAQIX-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
Cc1csc(C)c1C(=O)C1CCCCCC1	724943777	AIRXTMRYWMVNCI-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCc1ccc(OC2CCCCC2)cc1Cl	829086509	SYIJBWGEDRYJIG-UHFFFAOYSA-N	238.758	4.614	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCC[C@H](C)CC1	1308774687	SLJCGRFPFATKOX-JYJNAYRXSA-N	237.431	4.680	0	10	BJAE	
C[C@H]1CCCC[C@H]1SC1=Nc2ccccc2C1	1613548085	CAOINMFUYCAWNJ-SMDDNHRTSA-N	245.391	4.585	0	10	BJAE	
CCCCCCN1CCC[C@@H]1C1CCCCC1	1641536364	FRNMXYLOVRPGKT-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNCCC1CCCCC1	1648781775	BHASLZALMAAGFL-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCCCC1(NCCC2CCCCCC2)CC1	1655835367	ZHARRCNABSFMJK-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCC(C)(C)CN(C)Cc1ccccc1C(C)C	1875781132	HNJVMYWEDQNTSF-UHFFFAOYSA-N	247.426	4.678	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCC(CC)CC)NC	1900695180	FLZDJVPPHZFVQS-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C(=O)CC1CCCCCC1)C(C)C	1901058825	PMORIIVOHZPFNR-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](N)CCCC[C@@H]1CCC(C)(C)C1	1903427959	JMERVTRWWABDOF-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1csc(C)c1C	1905399781	ZFYRMTAZQXVFAA-OCCSQVGLSA-N	240.412	4.615	0	10	BJAE	
CCC[C@H](CC)COc1cc(C)cc(Cl)c1	1905443261	HDEZEZPPOVUCSP-LBPRGKRZSA-N	240.774	4.854	0	10	BJAE	
CCCC1(C=C(CNC(C)C)C(C)C)CCC1	1912105884	MUDQUGKOQGUKAF-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CCC=Cc1ccccc1	1912120263	OCYRQJNULLIVJW-WBVHZDCISA-N	245.410	4.634	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC(C)C)C=CCCC1	1916581300	VXFZRGXYUIMTQF-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1CCC[C@H](C)C1	1919973795	JLIWUICVCWKKRM-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCCC1CC([C@@H](N)c2ccccc2C(C)C)C1	1921293793	FRBPIEVTFCMZOO-MQBCKMQZSA-N	245.410	4.636	0	10	BJAE	
Cc1cc(F)ccc1C(=O)[C@H](C)C1CCCCC1	1924100858	ZECHWOKCKQMWMF-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)[C@@H](C)C1CCCC1	1924138164	HERQHGSLMYZNJT-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCC1=Cc2ccccc2C1	1936396913	JYGGAMBFXWJTRZ-UHFFFAOYSA-N	212.336	4.763	0	10	BJAE	
CC[C@H](CCC(F)(F)F)Nc1ccc(C)cc1	1940761182	FPEIZLJOZFWING-LLVKDONJSA-N	245.288	4.528	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CC[C@H]1CC1(C)C	1940859116	MYSMSJXOJMQAOH-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)C1CCC([C@@](C)(N)C(C)(C)C)CC1	1941154105	CQVZYEDEOLRYOT-SEEARECTSA-N	239.447	4.602	0	10	BJAE	
C[C@H](NCCCCCC1CC1)C1CCCCC1	1941581973	QLTXILKZPBYGEW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCCC)[C@H]1CC1(C)C	1945823186	ITPMWKXUMPUHJD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@]2(N)CCCC[C@@H]2C(C)C)CCC1	1948981357	QKJGVULPLSCCCE-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C2(C)CCCCCC2)C1	1948983660	DPTRKIOGTVNQDD-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@H]1CC2CCC1CC2	1949017162	XQWSHMLLJYRMBW-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@@H]1CC12CCCC2	1950667197	CLFYQVCHPHGVFU-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@@H]2CC2(C)C)CC1	1950921085	BNZWTJJFBJQDQE-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CC2(C)CCCC2)CC1	1950928847	BHBAUYUNNBYVJG-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CCCCCCN(Cc1ccccc1)C1CCC1	1963222066	BJNDQBBQCNNMSV-UHFFFAOYSA-N	245.410	4.621	0	10	BJAE	
CC1(C)CCC[C@@H](NC2CC(C3CCC3)C2)CC1	1966048626	NRMDJMSOOHGBED-HWOWSKLDSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CC3(CCCC3)C2)CC1	1967708614	RMGIXVMJJKMPQB-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
Cc1ccccc1N(C)CC1CC(C(C)(C)C)C1	1968568502	IBMWFQWYLISTOM-UHFFFAOYSA-N	245.410	4.504	0	10	BJAE	
CCC1(CNC(CC2CC2)CC2CC2)CCCC1	1971015651	RYQWAROUSFVESY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCCC12CCC(CC1)C2	1973945385	IFEMLXWVDCOGMY-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCC(C)C)CC1	1976342850	QNNYJRHTZDWZIF-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](N)C1(C)CCC(C)(C)CC1	1983315937	HBDUOLBWHZGHGP-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@H](C)CC(C)(C)C	1989804587	BHJCRQQNQJTKJJ-IUODEOHRSA-N	228.420	4.636	0	10	BJAE	
CCCC(C)(C)C(=O)CCCCC(C)(F)F	1993601856	ALIHKDGCPYLANZ-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CC1(C)CC[C@H]1c1cc2cc(Cl)ccc2[nH]1	1994131275	RRNBNAACFNYINU-NSHDSACASA-N	233.742	4.725	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NCCC1CCCC1	1997426429	NDDKZRHDJIBTKJ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC[C@@H]1CCC=CCCC1)NCC	1999995704	IHRDIFSFNYKZTK-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CN[C@H](CCCC(C)C)CCC(C)(C)C1CC1	2000257986	YTWZXPHAJBHNPX-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@H]1CC12CCCC2	2001256910	SQWXXQGUVOZXEM-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC)CCC1CC(C(C)C)C1	2002352440	WXJQYLKTCQZYLW-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1NC1CCCCCCCC1	2003095221	MEKRFUZAASBKDR-GOEBONIOSA-N	237.431	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H]1CCCCCC[C@@H]1O	2003097989	ISJCLIGFWQAZBK-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](O)CC1CCC2(CC1)CC2	2003190886	MRCNXKDKMOLNLG-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H](C)C2CC2)CC1	2004347826	YXUPBRCMTVYXPQ-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CC=C[C@H](NCCC)C1(C)CCCCCCC1	2004923535	RSBYLBDKTBGXKA-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)CC1CCCCC1	2007623422	UFESCXXROQCGKI-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C[C@H](C)CC	2007934251	IHMGVLDZZQIOGC-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](CCO)C[C@@H]1CCCC2(CCCCC2)C1	2008716747	RGLXVPUQDWECAV-GJZGRUSLSA-N	238.415	4.536	0	10	BJAE	
CC=CCCCNc1ccc(C(C)(C)C)cc1	2009588628	ACBMGAVYNNHAGS-UHFFFAOYSA-N	231.383	4.752	0	10	BJAE	
CC=CCCC[C@H](O)[C@@H]1CCC[C@H](CC)CC1	2009589377	NHTXYNKARPGSBH-XHSDSOJGSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](CC)C[C@H](NCC)C1	2009620017	QMIMJNKGSPLZGQ-UHKIINPBSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](CC1=CCCCC1)NCC	2009634164	DVJNYVUTPYYYJE-WMHVBEDNSA-N	235.415	4.601	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C1=CC[C@H](C)CC1	2010622377	KVLWKKNRBOZSSW-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@H](C)CC(C)C	2011183788	ODBOIYOOTGNMJH-OAHLLOKOSA-N	241.463	4.817	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CCCCCC12CC2	2011287980	KBNLTCRFUBEPQX-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)C1CC2(CC2)C1	2012412489	OQRJYOUFSZAKEO-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@H](C)C[C@@H]1CCCCCCCC[C@H]1O	2015274017	IKFVHHWCNVNICW-OWCLPIDISA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC(C(C)C)C(C)C)C[C@@H](C)CC	2015275476	QGOCAJBGUCJORH-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CN[C@H](C)[C@@H](CCC(C(C)C)C(C)C)C(C)C	2015339392	OJHLTEPRYRCHJG-ZBFHGGJFSA-N	241.463	4.575	0	10	BJAE	
CCCNC[C@](C)(CC)CC(C(C)C)C(C)C	2015411954	JRTVGLFZIMBMMD-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCCC[C@H]2C)CCC1	2015643549	DCAIDJJVLCMANP-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cc(F)ccc1C	2016143756	GYYPXRGZUBKDPV-ZDUSSCGKSA-N	235.346	4.681	0	10	BJAE	
C[C@@H]([C@@H](N)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017148853	TWCIAGYRJDGJJN-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@H]1CC[C@H](C)CC1	2017652271	FBCWDMBZNOXGJR-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CNCC)C[C@H]1CC[C@H](CC)CC1	2017726526	ZMMYIGARHGXNBW-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(CC[C@H](C)CNCC)CC1	2017736991	ZOWLCUJEKIZQJY-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1CC(=C2CC2)C1	2018132078	WWJWUFHNZFQQMW-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@@H](C)C[C@@H]1C	2018138345	FZYKSLBDBBVASN-FXUDXRNXSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)N(C)CCC[C@H]1CC1(C)C	2018182188	FFZIRPGHQOLKLD-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](CC)N(C)CC1(C(C)(C)C)CCC1	2018187174	DIIOGDYZGXVLMZ-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C(C)=CCC[C@@H]2C)CC1	2018938576	QLIYKRAOLHVOMT-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCCCC2(C)C)CC1	2018994413	BILUBAUINNJGCV-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](CC1(CCC)CC1)NCC	2018999551	ZUDMKYKWPHIZQB-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@H](C)CC(C)(C)C)C1	2019199256	DBMQQJXXYJROQD-RBSFLKMASA-N	239.447	4.712	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)[C@H](CCC)CC(C)C	2022562287	ZLXHLTAUNHPQLM-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](C=C1CCCC1)NC	2026170606	QWCOOPMFBNKITE-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)Cc1csc(-c2ccc(C)cc2)n1	2026531172	KSQPSBQVDRCOBZ-NSHDSACASA-N	245.391	4.707	0	10	BJAE	
CC1(Cc2csc([C@@H]3CCCC34CC4)n2)CC1	2026538097	MBGQCUGSNFHMOT-LBPRGKRZSA-N	247.407	4.533	0	10	BJAE	
CC(C)c1ccccc1CCCC(=O)C(C)(C)C	2027498164	BYWHPNRQYVSJMF-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
CC(C)(C(=O)c1ccccc1C1CCC1)C1CC1	2028107330	LHGGVQHQMKKDGZ-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CCCc1ccc([C@H](O)[C@@H](CCC)C(C)C)cc1	2028235625	RGUYISMGECWDIJ-IRXDYDNUSA-N	248.410	4.745	0	10	BJAE	
C[C@@H](C(=O)c1cccc(C2(C)CC2)c1)C(C)(C)C	2028551522	HAFJZASLWWGOFT-LBPRGKRZSA-N	244.378	4.603	0	10	BJAE	
CCc1ccc(C(=O)CCCCCC2CC2)cc1	2028629972	DNNQVGPRVAIQJZ-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCC1(CC(=O)c2ccc(C3CC3)cc2)CCC1	2029077036	DSVYPSQOUNUZKC-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC1(C)C[C@@H](Nc2ccc(F)cc2)CC2(CC2)C1	2030288531	PACMRWXAHXGVCR-CQSZACIVSA-N	247.357	4.597	0	10	BJAE	
CC[C@H](Nc1cccc(C2(C)CC2)c1)[C@@H]1C[C@@H]1C	2032243168	RFKQBLBPMHLYHU-MAZHCROVSA-N	243.394	4.585	0	10	BJAE	
CCCC1CCC([C@H](C[C@H]2C=CCC2)NC)CC1	2035594781	VCZASGFKBVEOPI-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@@H](CNc2ccc3ccccc3c2)CCC1	2035603045	YDPTWINOFODUFF-CQSZACIVSA-N	237.346	4.608	0	10	BJAE	
NC1(c2ccccc2F)CCCCCCCCC1	2035890703	ZHNHJEHIQKETAZ-UHFFFAOYSA-N	249.373	4.504	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2C=CCCCC2)CC1	2037272680	CPABZRDIFAGDQH-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037574384	DRWHFVROZRYNBB-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1([C@H](N)[C@@H]2CCC3(CCCC3)C2)CCC1	2037699659	CQEJBJGQNHMABR-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@H]1CC2CCC1CC2)CC1CCCC1	2038109814	JBUKFFAUHZJLNO-GQGLESIBSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@H]1C[C@H]2CC[C@H]1C2)CC1CCCCC1	2038168117	TWLRZNKIXZZEQP-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc(NC[C@H]2CC[C@@H](C)C2)cc1	2040122193	ZQCWZGVJJCMCPB-ZBFHGGJFSA-N	245.410	4.877	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C[C@H]2C=CCCC2)CC1	2040644506	NLCBPBHXSFQMFB-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)c1cccc(C)c1C	2040724965	AMTAMOFXWGEANJ-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](Nc2cccc(C)n2)CC1	2041500483	VCUQRAOKBCIZGN-HUUCEWRRSA-N	246.398	4.551	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@]1(C)CC=CCC1	2042016628	MIIVWLBFNBIZNX-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)[C@@H]1CC=CCC1	2042019724	QRCFIIMYMRTUHA-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NC1[C@H]2CCC[C@H]1CC2	2042022378	QPABWGZTFJUOSP-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@]2(C)CC=CCC2)CC1	2042071902	LAAPKQSXTSGREE-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CCC2)C1)C1(C)CCCCC1	2043608159	VCAXVINFWJFKAO-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc(NC[C@@H]2CCC=CCCC2)c1F	2045330099	TZGOPEYRPJOKMB-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@H]1CC12CCCCC2	2047058224	HKHQNGDZBGXPDD-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CN[C@H]1CCCCC12CCCCC2)C1CC1	2047588171	XQLUFIHZNCIHGD-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CNC[C@]1(CCC2CCCCC2)CCC12CCC2	2047944478	YUFMXSMULMMMQQ-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)[C@H]1CCC[C@H](C)C1	2049540077	KYKVSEHBOXEDQC-YUTCNCBUSA-N	249.373	4.761	0	10	BJAE	
C[C@H]1CC(C(=O)C[C@@H]2CCC3(CC3)C2)C[C@H](C)C1	2049961251	CUNSRYXICVQBIA-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@]1(CCCC2CC2)CCCCC12CC2	2053352331	ANHTVBJQNIYLRZ-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](N[C@H]1C=C(C)CC1)C1CCC(C)(C)CC1	2055846923	XNMJOWSKCNVRNR-HZPDHXFCSA-N	249.442	4.680	0	10	BJAE	
C/C=C/CCC[C@@](C)(N)c1ccc(CCC)cc1	2059204084	RUJRGCPLWRAHKG-UKINESCASA-N	245.410	4.559	0	10	BJAE	
C[C@H]1CC=C([C@@]2(N)CCCCC23CCCC3)CC1	2060912749	GXFGDSQPGUMZNF-YOEHRIQHSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C)CC1)C1(C)CCCC1	2060922407	RISRCRMCESKIEP-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)[C@@H]2CCC(C)(C)C2)CC1	2061091458	JJLCADWJDYAHOD-BMFZPTHFSA-N	249.442	4.523	0	10	BJAE	
CCC1(CC)CCCN1CC1CC(=C2CCC2)C1	2061708893	DREXZUMLASYIMR-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
N[C@@H]1CCCCCCC[C@H]1CC1CC(=C2CC2)C1	2061736040	BAURAGZJMPRTRY-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CN[C@@H]1CCCCCC12CC2	2062016317	FXOFUERTGVEAQT-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)C=CCC2(CCC2)C1	2063635799	MFZIKFNYAQQXBZ-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC[C@H](Nc1cc(C)cc(F)c1)c1occc1C	2063673434	ZUMQRUKVIIWCOD-AWEZNQCLSA-N	247.313	4.599	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC23CCC(CC2)CC3)CC1	2065278693	AKYUNEAQORGTBV-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H](C)C1(C)CCCC1	2067530930	VIBSVCHRGXYYGW-HUUCEWRRSA-N	249.442	4.824	0	10	BJAE	
CC1(C)CCC[C@H](NCC2(CC3CCC3)CC2)C1	2069581717	UNJXMFSVXZNCKW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C[C@@]23CCC[C@@H]2C3)CC1	2070926318	MFLBZINIWWXHGL-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](NCC[C@H]1C[C@@H]1CC)c1ccccc1	2071467468	WGKFFQPCRXXEBK-XIRDDKMYSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCC[C@@](C)(NC[C@]2(C)CC=CCC2)C1	2072612981	XTMPKXGKSQFURT-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(C[C@H]2CCCNC23CC3)CC1	2072816702	XIOXEGJFSYPXGM-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@@]23CCCC[C@@H]2C3)C1	2074100739	LYDWQWUYRCWKAJ-FAYQHZLMSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)C1CC2(CCC2)C1	2074644596	SLUALXCWIWDUJR-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)c1ccoc1C	2074645514	CACVSSAXDHYYFH-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC(C)CN(C[C@H]1C=CCC1)C1CCCCCC1	2076551411	VZUYERTVWBSPKU-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccccc1C1CCC1	2077263725	CGGORNKBPGOIID-BBRMVZONSA-N	243.394	4.945	0	10	BJAE	
O=C(CC1=CCCC1)[C@H]1C[C@@H]1C1CCCCCC1	2079478410	WMWLYSJODOPTKI-CVEARBPZSA-N	246.394	4.662	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@H]1C[C@H]1C1CCCC1	2079488795	VVPBVWIDPDLTSF-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
NCC1(C[C@H]2C[C@@H]2C2CCCCC2)CCCCC1	2079665292	KEBOTMRLEJMTIB-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
CC1(CCC[C@]2(N)CCC[C@@H]3CCCC[C@H]32)CC1	2081121596	GJBMABMMAYJXRL-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2CCC3(CC2)CC3)C1	2083039812	ZFVJIFPPPWIGLV-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@H]2CCC[C@H]1C2)C1CCCCC1	2086156850	KHZYBOGPTRSVDO-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
c1cnc2ccc(CC3CC(=C4CCC4)C3)cc2c1	2125734161	VRRQYWZLUSHNBO-UHFFFAOYSA-N	249.357	4.668	0	10	BJAE	
CC1CCC(CC=Cc2ccccc2)CC1	2210661867	GOJJCJFAIIQKQH-UHFFFAOYSA-N	214.352	4.916	0	10	BJAE	
CCCN[C@H](C(CC)CC)C(C)(C)CCC	2212116005	CPEMLEWESLIBKV-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(Cl)cc(OCC(C)(C)C(C)C)c1	2212533076	QNCCLSMIBISGIB-UHFFFAOYSA-N	240.774	4.709	0	10	BJAE	
Cc1csc(C(=O)[C@@H]2CCCC23CCC3)c1C	2213643713	YUYCHBXLRDVYBQ-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(O)CCCCC1CC1	2214563552	QYHLSDQXMFPURK-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@@H]1CC[C@@H]1C	2214953087	XZVHBSGBKUYUQE-STQMWFEESA-N	249.423	4.645	0	10	BJAE	
CC[C@](N)(CC[C@H]1C[C@H]1C)CC1CCCCC1	2215245319	DSCRRUITJFKZNT-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](NCCCCCCCC1CC1)C(C)(C)C	2216870180	JMPPZEVVEYHBFO-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC1CC(CC2CC2)C1	2218477948	ITSMIFSPIHMJBN-IGEOTXOUSA-N	249.442	4.514	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)CCC2(CCC2)C1	2218726188	MDXMDXFIQREWJQ-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@]1(N)CCCCC12CCCC2	2220882569	XOTIZHPGIDGYIU-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@@]1(C)CC=C(C)CC1	2221627355	AZJQVGXAPLSHIG-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC(CC)N(C)Cc1ccc(C2CCC2)cc1	2223636163	GQGJGPGZCZNVBV-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H](CC)CCC	2244775202	LRDZFOYJCATSMO-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CC(C)(C)[C@@](C)(O)CC[C@@H]1CCCCC12CC2	2246635636	XTEIHEXAKCZMKY-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCC(N)(CCC)CC[C@H]1CCC[C@@H](C)C1	2246729111	AWBZXSSYBNMHCV-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)CCC1CCCCC1	2247393094	BYYZPKOCDCLQPG-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H]1CCC1(C)C	2247445772	RXSRCSFYRGMONH-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccc(OCC2=CCCCC2)cc1	2247556647	NXQDDUAIZVSDAI-UHFFFAOYSA-N	230.351	4.689	0	10	BJAE	
Cc1cc(-c2cccc(O)c2)cc2ccsc12	2248555977	RCKLMXIHLTVUCT-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCCC[C@@H](C)N[C@H]1CC(C)(C)CCC1(C)C	2251680787	GDRUESUYHPSGJI-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
C=CC=CCC[C@H]1C(=O)C(C)(C)CCC1(C)C	2251709816	ZJUCCHGXRQQCLT-ZDUSSCGKSA-N	234.383	4.540	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1ccc2ccsc2c1	2253052713	AEOMHYJFBYABEO-NHYWBVRUSA-N	247.407	4.598	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)C[C@H]2CCCCC23CC3)C1	2253797348	YDIYKYDFOXJCJI-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC1(N)CCC(=CC[C@@H]2CCCCC23CC3)CC1	2253813454	QCTSFVUZMLVQKZ-VYRBHSGPSA-N	247.426	4.565	0	10	BJAE	
C=C=CC[C@H](CC[C@@H]1CCC[C@@H](C)C1)NCCC	2253928081	DQVADQOHAWCEIE-IXDOHACOSA-N	249.442	4.692	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2CCNC3(CCC3)C2)C1	2253944586	OQDHVOMEQKFMFR-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@H](C)C1)C1CC=CC1	2254018796	FIJDIBWELXIKFM-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)CC[C@@H]1CCCC12CC2	2255314213	YWJJRXOMICMIIH-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C(=O)CCCCC[C@H]2C[C@H]2C)c(C)o1	2257284969	WPGYECUOSULEFV-RISCZKNCSA-N	248.366	4.686	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@@H](N)C12CCC(CC1)C2	2257303518	MNJWLCQOHGIYKZ-TXOGFHGLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN[C@@H]1CCC12CCCC2	2257318663	FIPRGGYIJHMTFL-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(NC[C@H]2CC23CCCC3)cc(C)c1C	2258246733	MSHWXIQKOPKZEI-OAHLLOKOSA-N	243.394	4.604	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@]12CCCC[C@H]1CC2	2260655938	DVOGXPGUOUBKMF-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1[C@@H](Nc2cccc(C3CCCC3)c2)C[C@H]1C	2260663760	SNZZOYIYIMGCJJ-IGCXYCKISA-N	243.394	4.801	0	10	BJAE	
CC[C@H](C)CC(=O)c1cccc(C2CCCC2)c1	2260732890	FZZZGNQFTAALMZ-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CC[C@H](NCc1cccc(C(C)(C)C)c1)C(C)C	2261409004	NZOLCNFGYZXZIJ-INIZCTEOSA-N	247.426	4.508	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@]1(O)CCCC(C)(C)CC1	2298849744	GTAHUJIBKDYQRC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(C)c(CC)c1	2299670965	BRRCXBBCCGIZME-MRXNPFEDSA-N	233.399	4.528	0	10	BJAE	
CCC(CC)CCN(CC)[C@@H]1CCCC1(C)C	2300689472	YIDKKDOEFIVPPF-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@@H](CCC(CC)CC)C1	2300689524	YXXLXIMTHOBRDI-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CC[C@H](CC)CC1	2300697928	USKDBVZWHRWJGS-SHTZXODSSA-N	238.415	4.988	0	10	BJAE	
CC(=CCOc1ccccc1)CCCC(C)C	2300861136	OJFISIBODBJBEO-UHFFFAOYSA-N	232.367	4.838	0	10	BJAE	
CC=CC[C@@H]1C[C@H](CCC)CC[C@@H]1NCCC	2300924878	XGPZSNZIVLDMQY-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@](N)(CC2CCCCCC2)CC[C@H]1C	2301143656	WBQPVIMGFSWMRK-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]([C@@H](C)[C@@H](C)C(C)C)[C@H](C)C(C)C	2301830039	UMUFJXMQLQRDNF-XUWVNRHRSA-N	241.463	4.575	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)CCC1=CCCCC1	2301922326	XVRUTYOVWJEWJT-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
CCC1(C[C@@H](N)CCC2=CCCCC2)CCC1	2301935677	OTMVIIARBSPPLX-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CC[C@H](C)CCN(C)CCCC1=CCCCC1	2302353080	BFGRIKJWWCLWIB-HNNXBMFYSA-N	237.431	4.635	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CC[C@H]1C(C)(C)C	2303396601	AYYWPUDKXNETBQ-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
CC1(CCC(=O)C[C@H]2CC[C@@H]2C(C)(C)C)CC1	2303508216	LOXBLERRHQHOBS-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCc1ncsc1-c1cc(C)ccc1C(C)C	2307518039	CSBYJWWXQWKTRF-UHFFFAOYSA-N	245.391	4.804	0	10	BJAE	
CCC[C@H](CC)C[C@H](CN[C@@H](C)CC)C1CC1	2307837844	LAGWTQPVORYARR-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)C1(CCC)CC1	2307902423	LDGNUXNMNSHXNS-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2307926725	QIIFWAMYWUNGLX-BARDWOONSA-N	238.415	4.844	0	10	BJAE	
CCc1cc([C@H](O)C2CCCCCC2)ccc1C	2314694241	JDGKQCURRPZBPF-QGZVFWFLSA-N	246.394	4.561	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@H]2C[C@H]2C1	2315873501	WJICDPOUHYMXCI-HRCADAONSA-N	243.394	4.719	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1CC(CC2CC2)C1	2316538066	UQDINDLALJIDHL-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H]1CC(C)(C)[C@H]1C	2318179712	RYTSGISYFOFJMI-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CCCCCCc1ccc([C@@H](CC)NCC)cc1	2318364585	NXLDWPLAZYFKSI-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
C1=C(CCCNC2(CC3CC3)CCC2)CCCC1	2318581127	SSRPPIJGZVHHII-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C=C=CC[C@H](CCCC1=CCCCC1)NCCC	2318594897	KMVKWKVGAJMRCO-QGZVFWFLSA-N	247.426	4.757	0	10	BJAE	
CNC[C@]1(CCC2CCCC2)CCC(C)=C(C)C1	2320263237	KWESFFICLATTMQ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
N[C@@](CCCCCCC1CC1)(CC1CC1)C1CC1	2320621372	STYOZZHGYPOQNY-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCC[C@]1(C)N[C@H](CC1CC1)C1CC1	2320708056	LCYYTSCIUDKWTI-WBVHZDCISA-N	249.442	4.514	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)[C@@H](CC1CC1)C1CC1	2320766233	RVQAEFIMHWZTDI-DLBZAZTESA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)CCc1ccc(C)cc1	2328270478	ZRRSGBXCFHBRBM-HNNXBMFYSA-N	246.394	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)C1CC(=C2CC2)C1	2328277162	TVZGKCPCOWSNBV-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1ccc(C(C)C)cc1	36819967	BGYFOYMSAPYTHZ-CJNGLKHVSA-N	233.399	4.507	0	10	BJAE	
C[C@@H](Nc1cccc(Cl)c1Cl)C1(C)CC1	37468553	GMMCNGIWKSQITI-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
CCCCc1ccc(C(=O)CC2CCCC2)cc1	38137896	LUIVUDXBCWVGCX-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CSc1ccccc1N[C@H](C)c1ccsc1	50341116	FOSQIORQJHQGNL-SNVBAGLBSA-N	249.404	4.643	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)c1ccc(C(C)C)cc1	71160354	WEFNOMPHNPGROB-NVXWUHKLSA-N	245.410	4.564	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H](C)c1ccccc1	83367349	KYYNNKAFOVLJQM-OAHLLOKOSA-N	239.362	4.519	0	10	BJAE	
CC(C)C[C@H](N[C@H]1CC[C@@H](C)C1)c1ccccc1	83828870	GCWCGLRZHMHQDM-PVAVHDDUSA-N	245.410	4.552	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1	85085192	DVIYYVKFUUBYCY-IJEWVQPXSA-N	231.383	4.540	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCC[C@@H](CC)CC1	86909277	RBNOALZHTVHXGN-SQWLQELKSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C)C[C@H](CNCC)c1ccc(C)cc1	93131772	BGLLLNTWHCSGFQ-DOTOQJQBSA-N	247.426	4.514	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCCCC2(C)C)c(C)c1	94278349	UENYHTDWQBGZPO-OAHLLOKOSA-N	245.410	4.993	0	10	BJAE	
CC(C)(C)c1ccc([C@H](N)C2(C)CCCC2)cc1	94899647	RTQZSSCSUALFQD-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
C/C=C\C[C@@H](C)c1ccc2c(c1)CCCC2	107567932	GNAMXQVOBULZOO-DHCBQETCSA-N	214.352	4.635	0	10	BJAE	
C/C=C\CCc1cc(Cl)cc(Cl)c1OC	107655100	ORPMWNVCJMPYKZ-ARJAWSKDSA-N	245.149	4.511	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC1CCCCC1	125893897	LXBMBRZILMHSMY-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc2c(Cl)cc(CC(C)C)nc2c1C	131705263	SRKUCEAAYMKGHR-UHFFFAOYSA-N	247.769	4.704	0	10	BJAE	
CCCC(CCC)[C@H](N)c1ccc(Cl)cc1	132908646	IXLPTXCZTYKILQ-AWEZNQCLSA-N	239.790	4.556	0	10	BJAE	
C=CCCCCCCCCCn1cccc1	143575102	HMLRQWXSNCTLIT-UHFFFAOYSA-N	219.372	4.795	0	10	BJAE	
CC(C)c1ccc(-c2ccc(O)c(Cl)c2)cc1	156721338	AFCJNFOAAZNWPY-UHFFFAOYSA-N	246.737	4.836	0	10	BJAE	
CCCCC1CCC([C@@H](NC)c2ccoc2)CC1	164968811	XIAUVBMNXACIRK-ZBCRRDGASA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H](CCC)CCCCCC(C)C	166177178	BHKZEOYPOGQBTM-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](C2CCCCCC2)C1	167554108	MWSPJXXJICOSLG-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1cccc(Cl)c1	168975204	HZPBUMHKHQXABF-RISCZKNCSA-N	240.774	4.590	0	10	BJAE	
CC(=O)c1sc2c(ccc3ccccc32)c1C	195984331	JFTVAJFLZSCUID-UHFFFAOYSA-N	240.327	4.566	0	10	BJAE	
CCCC[C@H]1[C@H](CCCC)C1(F)Cl	213072571	VLAXHOFOBNXSHN-UWVGGRQHSA-N	206.732	4.517	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H]1CCC[C@@H](C)C1	218038493	KTUGJDMHDYCGEJ-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
Clc1cc(Cl)cc(N[C@H]2C=CCCC2)c1	220420023	IMGLJJQTGRMCBB-NSHDSACASA-N	242.149	4.514	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCCCC2(C)C)cc1C	226527471	PRLZHGXURGWDBJ-HNNXBMFYSA-N	244.378	4.703	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCC[C@@H]1C	226780036	OZBFFZLHSFCDRG-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H]1CCCCC1(C)C	226859098	SXSDCDOFPVHCJR-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@@H]1CCCC1(C)C	226866707	QLDBZLBIAVEXLA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@H](C)C(C)(C)C	229557740	JFIHMJLZSAWXHU-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCSc1ccccc1N[C@@H](C)CC1CCC1	229691136	MSFBLYXHLVCCFN-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CCC1CCC(NC[C@H]2CC(C)=C[C@H](C)C2)CC1	232910448	AZEBFAZFIVMAOY-MHABSNSOSA-N	249.442	4.537	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H]1C[C@H]1CC	232947688	IVTGIMNGHQZGEU-GDBMZVCRSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](NC)C2=CCCCCCC2)C1	233944427	KZCOYBNMZHVWNX-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2(C)CCCCC2)C1	233949840	PQUAWXYGOYWNRW-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
C1CCC(CC[C@H](CNC2CC2)C2CCCC2)C1	302242019	FLBJPFLESPPZBV-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1/C=C/CCCCC1	302418121	LJNJORBGOJVPGV-NKRQLWMJSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CNc1cc(C)c(F)cc1Cl	304404729	WROUIIFVTQNEFW-UHFFFAOYSA-N	243.753	4.636	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H](C)c1cccs1	304431682	SUJBDBUTYWACHZ-NWDGAFQWSA-N	239.428	4.614	0	10	BJAE	
CSc1sc2cccc(Cl)c2c1Cl	306872893	WFTNIXXDVBZKKZ-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
Fc1csc2cc(C(F)F)c(Cl)cc12	307350220	HYGVSZDGEYHRPX-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
Cc1cc(Cl)c2sc(C(F)F)cc2c1	307431001	WVADWALQBBPONN-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCCC[C@@H](CC)NCC1CCC(C)(C)CC1	310129948	KLLMDDFBTDYNBW-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(=O)c1ccccc1-c1cc(C)ccc1Cl	313441340	MTAMNSMXYGEPEG-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC(C)(C)C)CCC[C@H]1C	318195367	BAZXJOOHHNNNII-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CCCCCCCC(C)C)NC	383154493	ICQIAIMXVCPFQP-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCCC[C@@H]1C	383229207	TWIZKHPADNZEGV-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@H](CCCCCC(C)C)C1	383385480	NHFZSZLIMOLBFM-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
O[C@@H](CCCCC1=CCCCC1)c1ccccc1	385059220	SZZVPAZJRXFJKJ-KRWDZBQOSA-N	244.378	4.781	0	10	BJAE	
CCC(CC)(CC)CNC1(CC)CCCCC1	395127407	CRCKPVONNVUHTJ-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
C[C@H](Nc1ccc(C(C)(C)C)cc1)[C@@H]1CC1(C)C	397624345	MFKJJDZVCVFSRS-WFASDCNBSA-N	245.410	4.831	0	10	BJAE	
C[C@H](Nc1cccc2ccsc12)[C@@H]1CC1(C)C	397861391	YGMHIZWJCRRKPM-JQWIXIFHSA-N	245.391	4.748	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)[C@@H]1CC1(C)C	397868699	WYXKRLQWVIVGIB-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H](C)C(C)(C)C	399181452	OWBAOSCDSNULNH-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](c1cc(C)c(C)cc1C)[C@H](C)C(C)(C)C	399259867	LDDSYDNLMBWVEM-GOEBONIOSA-N	247.426	4.555	0	10	BJAE	
CC(C)NC[C@H]1CC[C@@H](C)C[C@@H]1CC1=CCCC1	400622025	JAIWGBGAVZMOSB-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@H]1CCCC1(C)C	401012925	CCPBEBQDSVRKHF-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)CNC[C@@]1(CC2=CCCC2)CC[C@H](C)C1	401084581	QJZAAAWZSLAICB-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)C[C@H]1CC=CCC1	402174184	YLPSGAUUJKVZQB-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
CCCCCCNc1ccc2c(c1)CCCC2	404554148	NPTUBUFBHWUNFL-UHFFFAOYSA-N	231.383	4.558	0	10	BJAE	
c1cc(N[C@@H]2CCc3ccccc32)cc(C2CC2)c1	690096391	SFBMLKMGCOEYFC-GOSISDBHSA-N	249.357	4.663	0	10	BJAE	
CC[C@H](Nc1cccc(C2CC2)c1)C1CCC1	690100555	YNZAILOGFZRSST-INIZCTEOSA-N	229.367	4.555	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1c(C)c(C)cc(C)c1C	696560711	JHXJXCOOOORZLE-OAHLLOKOSA-N	247.426	4.746	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C[C@@H](C)c1ccccc1	696682592	JPHYKTHKNRTCKS-ZBFHGGJFSA-N	248.410	4.758	0	10	BJAE	
CCC(C)(C)CCOc1ccc(C)cc1C	696784612	JKIRUDAQIJBVCW-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC=CCC1)C1(C(C)C)CC1	697627302	RNDVNOQEXZZNMY-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H]2C[C@@H]2C(C)(C)C)c1	699766673	GKOHPSHPLDCUIE-CABCVRRESA-N	244.378	4.504	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC12CCCC2	705076659	GFZVYGPFDCVIEE-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
c1ccc(-c2ccc(NC[C@@H]3CC34CC4)cc2)cc1	705226939	QITQHVMTTKWJDB-INIZCTEOSA-N	249.357	4.566	0	10	BJAE	
CCCC[C@H](CC)C[C@@](N)(CCC)C1CC1	705366267	JZJKKEHEEOHWEU-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]3CCC[C@H]32)cc1Cl	707856385	FNTZXVRTTVCHLO-NJZAAPMLSA-N	249.785	4.639	0	10	BJAE	
C[C@H](CN[C@@H]1CCCC(C)(C)C1)CC(C)(C)C	709132947	YLRMCBUZHAEHNL-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@H](N)[C@H]1CCC[C@@H](C)C1)C(C)(C)C	711109380	CVAPWMVWICRVOX-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
CCNC[C@]1(CC(C)(C)C)CCC[C@@H](CC)C1	713298882	QTNZWXDPCNSRQR-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1cccc(NCC[C@@H]2C[C@H]2C2CC2)c1	714829709	MJTQEROSXMUKDT-WBVHZDCISA-N	243.394	4.658	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCCC[C@H]1CNC1CC1	718493482	KUXOIOFOYUVIGU-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)CCC(C)C	718494392	MKSIGHXWCGLFEZ-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CC(C)=C(C)CCNc1cc(C)ccc1Cl	718621870	GMEWXFUOLCHGTD-UHFFFAOYSA-N	237.774	4.807	0	10	BJAE	
CCC(C)(CC)[C@@H](CCC1=CCCCC1)NC	721699841	QACKWWWYQMVXAC-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H](C)c1ccccc1	721733519	YTWSETBMIXLYEZ-ZDUSSCGKSA-N	232.367	4.576	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H]3CCC[C@@H]32)cc1C	722082092	UXYSIMOZMNCBHC-HYVNUMGLSA-N	243.394	4.548	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C[C@@H]1CC12CC2	723180650	AKSFIZIEKXVATE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(C2CC2)cc1	821906175	ODBRIONNKMAFNI-IGCXYCKISA-N	243.394	4.801	0	10	BJAE	
C=C/C=C\CCN1CCCCC12CCCCCC2	1460956269	IIGLBSVLYNUXTQ-ARJAWSKDSA-N	247.426	4.698	0	10	BJAE	
CCC(CC)Sc1ccc(C)c(C)c1	1640683416	AFCDKXNEWNZDHP-UHFFFAOYSA-N	208.370	4.584	0	10	BJAE	
C=C/C=C/CCSC[C@H](C)c1ccccc1	1643904639	FDALFXOIIJRZHU-NNTXTVRGSA-N	232.392	4.656	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2CCC2(C)C)CC1	1662427216	GCWJOSCZZXNWOR-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC2(C)CCC3(CC2)CC3)C1	1875708539	IWQGSNDKGQPSOO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H]1CCC(C)(C)C1	1902388920	BUCGTBFTWJLAON-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCC[C@](O)(CC)CC[C@@H]1CCC(C)(C)C1	1903384557	ATEUNGVPSVSDRA-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCC(C)(C)C1=O	1905346436	LSYUBZLVSZVYFE-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1csc(C)c1C	1905445699	QZSAWIFRDXUSRG-GXTWGEPZSA-N	239.428	4.581	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](O)C1(C)CCCCCC1	1908585332	YJJNIOIVAIBDRI-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@](O)(CC)C1CCCCC1	1910693361	IGHZJNIVPXIHLY-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(=CCCCCC(C)C)C[C@@H]1CCCCN1	1911838418	APPGZUNXMNGYQL-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC=CCC1(CNC(C)C)CCC(CC)CC1	1912102519	YJRKQWSFJYQWTE-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC=CCCc1cc(Cl)ccc1OCCC	1912104998	PATKKUFNLBPKFA-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
CCCC[C@@H]1CCCCCCCC[C@H]1NC	1913391728	KKTNZNAQLVPOHC-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CCC1CCCC1	1920191121	XJQMHXHDRIWANP-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H](C)C2CCCC2)cc1	1923893112	NCNORWPXLJKYQF-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
C[C@@H](CC(=O)[C@H](C)C1CCCC1)c1ccccc1	1924101946	WCRHWWCLWCRQPR-UONOGXRCSA-N	244.378	4.576	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@@H]1C=CCCCC1	1925790583	KTVDBYRUZIMZTL-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCCC1(C)CC1	1935940493	PKGDAPNZWZLAFG-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H](CC(C)C)C(C)C	1936210672	DBWAEAVPFWGXQP-CYBMUJFWSA-N	226.404	4.700	0	10	BJAE	
CC[C@@H](C[C@@H](N)c1cscc1C)C(C)(C)C	1938828635	YAIMCLVFFLTPTM-WCQYABFASA-N	239.428	4.519	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1(C)C(C)(C)C1(C)C	1940282131	HNHGNQMOUGDWTR-LBPRGKRZSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H]1CCC[C@@H]1CC1(C)CCCCC1	1940416352	QJWORFHCKPIHJW-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(NCCC[C@@H]2CC2(C)C)cc1C	1940872299	LBDXZLKGPCXPJM-CQSZACIVSA-N	231.383	4.542	0	10	BJAE	
CCN[C@@H](CCC[C@H]1CC1(C)C)C(C)(C)CC	1940878760	VKWGUZFXBVRTIO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)C1CCCCCC1	1940882278	IXGAJWXORKCAMG-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)CC1CCC=CCC1	1941794495	ZIJKHPXENROZOH-ZFWWWQNUSA-N	237.431	4.523	0	10	BJAE	
N[C@@H](CC1CCCCC1)c1sccc1C1CC1	1942506241	RIOHICZOINQOCP-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@H](C)CCC(C)C)C1	1942662491	NZQBXHDCAVSDRV-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)[C@@H]1CCCC[C@@H]1CC	1947515427	MBUKYGMDQTWJSP-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](C[C@H]1C=CCCC1)NCCC	1947588340	NZRIJVMMYNAEKJ-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC(F)(F)CC[C@](C)(O)CC1CCCCC1	1947886532	HVKTXVUQNXMWDU-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C2=CCCCC2)CC1	1948968069	QYBDSBBRVDDMFH-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
CC(C)=CCC[C@]1(N)CCC[C@H](C(C)C)CC1	1949024452	LERHFWUBPPZYIV-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(CC)C[C@H](CC1CCCCC1)NC	1949913948	CHRHPGBDZSIIMX-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@H]1CCC2(CC2)C1	1950244923	GHCAYSVVVKKZMW-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@H](N)[C@H]1CCC[C@@H](C)CC1)C(C)(C)C	1950925177	QYCWVEGZPDLOOT-QPSCCSFWSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)c1F	1965896908	WJVYEBOOUNXWPI-MELADBBJSA-N	247.357	4.515	0	10	BJAE	
CC1(c2ccc(NCC3CCCCC3)cc2)CC1	1966027055	FRMZNANHEMOMMB-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC23CCC3)cc1F	1968319713	BIOHJBIOTAUFJX-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC[C@H]2C(C)C)cc1	1968408754	YDOPFWCJOWKCCJ-DLBZAZTESA-N	245.410	4.876	0	10	BJAE	
CCCc1ccccc1OCC12CCC(CC1)C2	1968624413	MRCBNYRTNICFJB-UHFFFAOYSA-N	244.378	4.598	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCCC[C@@H]2CC)C1	1968858525	CYAAENYXTKIXJJ-BHDPWAOGSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H](C)CN(C)[C@@H]1CCCCC1(C)C	1970180769	JIXBYKRMDTWYNQ-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
C[C@H](CC(C)(C)C)NC1CC(C)(C)C(C)(C)C1	1970475353	BQHSLCCCEYGQRT-GFCCVEGCSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)CCNC1(C2CC2)CCCCC1	1973780419	BBNOZCKKKRERKB-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCC(=O)CCCCCC1CC1	1978436697	XYTFQWFLVUGCBX-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1csc(C(F)F)c1	1978581981	GBHOPLSEDNHYQL-SECBINFHSA-N	247.354	4.512	0	10	BJAE	
CCCCCC[C@H]1CCC(C)(C)CC[C@H]1N	1984461647	GHRRKQHWIGXURL-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCCCCCN(CC)C1CCCCCC1	1991734554	WYXYXKIZDYVRRR-UHFFFAOYSA-N	225.420	4.611	0	10	BJAE	
CCC[C@@H]1CCCCN(C[C@H](C)CC(C)C)C1	1995743173	FQJKUPZNLRYGKC-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(O)C1(C)CCCCC1	1995988490	YXDXPJCLDCMEKA-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1ccccc1SC1CC1	1996551025	ZDHQEKKSJWZJKG-RYUDHWBXSA-N	249.423	4.788	0	10	BJAE	
CC(C)CCCCN[C@@H](C)C1CCC(C)CC1	1996554905	PHCHOBCEMZAHBQ-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](NC[C@H]1CCC[C@@H](CC)CC1)C(C)C	1997100016	KVHSSZJKSQWIOA-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)CCC(C)(C)C)CC1	1997189263	UKTQBXOTLIKLOJ-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)C1CC(C)C1	1998648899	FRWCGSGEZVUZCN-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1CCC=CCCC1	1999984123	URRMVFHNTOYIAJ-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CCC[C@](O)([C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000037434	HZWSSYODSOGXMP-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CSc1cccc(C(=O)CCCC2(C)CC2)c1	2000219894	YQTAKTMFRPEXMJ-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCC(CC)CN(CC)C1C[C@H](C)C[C@@H](C)C1	2000899702	DXPUAEGVUIKYPY-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1[C@H]2CCCCC[C@H]21	2002198246	PRGKXJURHRIJKG-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@]1(C)CCCC1(F)F	2002577021	QLHOKPFQBCHCAK-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC(C)=C(C)CCCC(=O)c1ccccc1F	2003667836	YOARYKKOTRAQFR-UHFFFAOYSA-N	234.314	4.535	0	10	BJAE	
CCC1(C)CCC(N)(CC2(C)CCCC2)CC1	2004342062	PEDWQMAHFHABSS-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC(CCC)CNC[C@H]1CCCC[C@@H]1C	2004710790	CQUARAOWENQWMV-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC1(C)C[C@H]1C[C@@H](O)C1(C)CCCCCCC1	2004920053	GLOOVMFJYNNFJL-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)CC(C)(C)C	2007811779	FCLABYICMQQVSY-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1CCC[C@H]1C	2009596601	SPBGHRDLBOZPRZ-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(NCCCCC(C)C)C1	2009717126	FCBMIBYLOVODDN-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)C(C)(C)CC	2010716525	WPWYJFCGPOZCDX-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1C[C@@H]2CC[C@@H]2C1	2015201461	WZCAXLUDBJYUDQ-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC)CCC(O)(C[C@@H](C)C(C)C)CC1	2015291040	PBPAMIRUMUCUOX-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(CC[C@@H](O)CCC1(C)CC1)C(C)C	2015339080	MQSYIIWUHDFQQV-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@@](C)(CC)CC(C(C)C)C(C)C	2015411953	JRTVGLFZIMBMMD-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CC1(CCC)CCC1	2015631210	DWKGWRQLFQUUKM-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)C1(C(C)(C)C)CCC1	2017132304	BZKLIGQZKHXHQN-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(O)CCC[C@@H]2C)CC1	2017650359	GFHBOFQAGFTLNU-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CNCC[C@@H](C)CC)CC1	2017663869	ZMLJACVATPJVNA-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCC1CC(N)(C[C@H]2CC[C@H](CC)CC2)C1	2017730589	IUBDKODLCVTGEJ-MSBXVQKDSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@@H]1CCCC2(CC2)C1	2017795233	ZINDOLITZUIOHK-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@H]2CCCC[C@@H]21	2018128954	GWYKPZNUVDSKLN-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC[C@]12CCCC[C@@H]1C2)NCC	2018578908	TWFZAOLUSCMSIU-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
ClC1(CNc2cccc(C3CCC3)c2)CCC1	2020464242	VTSNPXQYHYFFAN-UHFFFAOYSA-N	249.785	4.528	0	10	BJAE	
CCCCC[C@H](C[C@@H]1C[C@@H]1C(C)C)NCCC	2022491152	ZBZVFSSVQZEMIB-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1C[C@@H]1Cn1ccc2cccc(Cl)c21	2022550158	REWQOTFQKYJLCU-QWHCGFSZSA-N	247.769	4.731	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)CCCC2CC2)C1	2024093426	BMUCHNJIRAKVKF-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC1(CCC(=O)c2ccccc2C2CCC2)CC1	2027732117	KSKIJUWSVWWJTD-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)C1(C2CC2)CC1	2028105609	RAHNETPFOKGEKM-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cccc(C2(C)CC2)c1	2028560002	LWNWAYAOFATBGL-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1CC[C@@H]2C[C@H]2CC1	2028965225	QSBSRGFVWWAPFS-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](F)c1cccc2c1NCC2	2029834741	AAPXHILFRWOOCR-IUODEOHRSA-N	249.373	4.738	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H]1[C@H]2CCCC[C@H]21	2032822090	OLVANGWVSOVSRO-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc2[nH]c3c(c2c1)[C@H]1CCCC[C@@H]1C3	2034149722	UBLKAEMIVMKNSI-OLZOCXBDSA-N	239.362	4.560	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H]1CCC12CCCCC2	2035421403	GRRBZTMMZLPIHM-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
C1CCCCC(NC[C@@H]2CC23CCC3)CCCC1	2035886001	NNLTUYJFOPLALA-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCCCC[C@@](C)(N)c1cccc(CC(C)C)c1	2037085280	OVHUWMFRMJMGBJ-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2037589570	GDRJYTPPFKFXDK-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037695112	QFCDPEXUKMSRRQ-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)c1ccccc1)C(C)(C)C	2038076720	ZIHMZMBBBDCTPL-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)[C@H]1CC12CCCCC2	2039006476	QDIDUZTZWLIHDM-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(C1)CC(CN)(CC1(C)CCCC1)C2	2039423205	XZQCAPQFUOWDDO-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C2(CC)CCC2)cc1	2039726773	OHVAUEFMAWXEKQ-BBRMVZONSA-N	246.394	4.814	0	10	BJAE	
C[C@H](NCCC1(C)CCCC1)C12CCC(CC1)C2	2039863044	AYZJMWFEEAONSL-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CNC[C@]1(C[C@@H]2CC[C@@H](C)C2)CCC=CCCC1	2040175003	FQLFQMBZAISBND-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@@H]2C=CCCCC2)CC1	2040650749	LWKDSJBLSSNOPS-MNAZLIDISA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)[C@@H]1CC=CCC1	2042020190	VHPVWIXONIPKEO-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC[C@]2(C)CC=CCC2)C1	2042072230	NNQPSGWOXHCOBA-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@]2(C)CC=CCC2)cc1C	2042098869	MSBKVMOYNPVTKW-KRWDZBQOSA-N	242.362	4.541	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CCC=CCCC2)C(=O)C1	2045308476	AQHWKOIDMNASRE-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CCc1occc1C(=O)C[C@H]1CCC=CCCC1	2045310031	MAYZFRDPKMMERU-ZDUSSCGKSA-N	246.350	4.551	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C[C@@H]1CC[C@@H]2C[C@@H]12	2045314812	NRINHVLMZDARRT-DLTWYDFYSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)C[C@@H]1CCC=CCCC1	2045315768	XKBQYCCJMLEPDA-RBSFLKMASA-N	248.410	4.764	0	10	BJAE	
C[C@H]1CCC[C@H](N2CCCC3(CCCCC3)C2)C1	2045523177	VTIFYADAZBNJGS-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccc(C2CC2)cc1	2045606195	BOKOJOQBKIIJGL-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
C1CCC(CC[C@@H]2CC[C@H]3CCCN[C@@H]3C2)CC1	2048094695	JHPCVCNXTUSHLM-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CC1)C1CCC2(CCCC2)CC1	2048118610	HPZWNDUZRVEYKA-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2CCCC3(CC3)C2)C1	2049949701	AWCMKQRRXYHKAB-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)C)c1ccc(C)cc1	2050439155	RYPNRQJVASRCIY-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
C[C@H](N[C@@H]1CC(C)(C)CC2(CC2)C1)C1(C)CCC1	2052332822	XBVPMSBGPPHSTB-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](Nc1cnccc1C(C)C)C1CCCC1	2053857377	WQEZQYJQRXSBGP-OAHLLOKOSA-N	246.398	4.586	0	10	BJAE	
CC(C)C1CC(CC(=O)[C@H]2CCCCC23CC3)C1	2056672436	XINHNQBMZAOUIO-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C=C2CCCCC2)CC1	2056920001	NJXSVUJTYQYPTD-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CCC1(CC)CC(N)(C[C@@H]2CC23CCCCC3)C1	2058834398	BFRKZDQCGONDOF-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
C/C=C/CCC[C@@H]1[C@H]2CC[C@@H](C2)C[C@@H]1NCCC	2059246367	BNSADIROWZOEKJ-YSBOKNOISA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)c1cccc(F)c1	2059250448	QNRNWTZTHNXQCE-WMHVBEDNSA-N	249.373	4.613	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2061118953	LEMXGYAZNYZNPL-IUKJFTNHSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(F)c2ccc(N)cc2)CC1	2061146178	FGZOEEGEUJYPPX-WBMJQRKESA-N	247.357	4.590	0	10	BJAE	
NCC1(CC[C@]23CCC[C@H]2C3)CCCCCCC1	2061623311	QROFFJODXVXVRR-RDJZCZTQSA-N	249.442	4.646	0	10	BJAE	
O[C@@H](CCC1CC(=C2CCC2)C1)CC1CCCC1	2061694805	WBQLWTNXPCNSKC-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)C1CC(=C2CCC2)C1	2061730306	GTNCGYQCLVPEHM-MLGOLLRUSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CCCCCC23CC3)CCC1	2062020562	NYFLVYLXKDRTAR-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063534384	AGDDYTNSWYYMAJ-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CCC2CCCCC2)C=CCC2(CCC2)C1	2063649811	PPUGOYMFRNQNKM-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCCC1CCC(NC2CC3(C2)CC3(C)C)CC1	2064110048	WWXFDPKLWDJZRL-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@H](C)C1CC2(CC2)C1)C1CCCCC1	2064504007	YRXPOUYSWDFJJI-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CC23CCC(CC2)CC3)C1	2065275389	SCASWKPMEHIGIF-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
c1ccc(NC(C2CCCC2)C2CCCC2)cc1	2065933754	QUAZXCNCXJEQIK-UHFFFAOYSA-N	243.394	4.848	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C[C@H]2CC23CCC3)C1	2069175502	BQHXLMKCZQTNSR-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C[C@@H]1CC12CCC2	2069216055	WJJPBHHQOUTFDI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1(C(=O)c2ccc(C(C)C)cc2)CC1	2069499633	BZQPAHLKTYOVSG-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCC[C@@H](NCC1(CC2CC2)CCC1)C1CCC1	2069504377	AACBVLXBLRVYOB-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCNCC1(CC2(C(C)(C)C)CCC2)CC=CC1	2071940400	KBXJLIRCAVZJGW-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C(C)CN[C@H]1CCCC2(CCCCC2)C1	2072412244	AIFQXGAWWGTBPP-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCC1CCC(CC2(CNC3CC3)CCC2)CC1	2072798732	MEAIIEUTVHWCOV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](c1ccccc1)N1CCCCC12CCCC2	2074794714	MTFWQPBJMPZIRP-OAHLLOKOSA-N	243.394	4.546	0	10	BJAE	
CCC1(C)CC(CN(C)[C@@H]2C=CCCCCC2)C1	2074797079	MUQAOQPIPRCEGN-AQFXKWCLSA-N	249.442	4.633	0	10	BJAE	
CC(C)(C)CN(C1CC1)[C@H]1CCC12CCCCC2	2075008338	JDYMTUCGQMLKIO-HNNXBMFYSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H]1C[C@@H]1C1CCCCC1	2079433290	ZDRMIJQLLGLFEI-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@H]2C2CCCC2)CCCCC1	2079632687	JDZOXDCRXOZWNA-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)C[C@H]1C[C@@H]1C1CCCCC1	2079670114	KVAFBGVELKPPPF-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1	2081142076	VKHAPGFHIPYRMJ-BHYGNILZSA-N	243.394	4.766	0	10	BJAE	
CC=CCCCN(C)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2081147849	KJIRNLQRWVHSGC-GVDBMIGSSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@@H](C=C(C)C)c1cc(C)cc(C)c1C	2082917727	BNHDIPHKVDJXPZ-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N[C@@H]2CCCC3(CCC3)C2)C1	2085245274	SGMIRCMAQYYUOS-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](C)c2cc(C)cc(C)c2)C1	2085252314	NEPHHPVCMLHYHC-INMHGKMJSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@](C)(N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213295806	DEFLJWOKISFBLB-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)CCCCCCC1CC1	2213578541	NHGXOAMYVDRYHH-INIZCTEOSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC(CN)(CCCCC2CC2)CC1	2214568904	KATSUKDVHZKRFW-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)CC(C)(C)C	2214583678	OVKYWCADGFYSCH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@](C)(N)CC1CCCCC1	2215258384	XTTPCCMATKMSQE-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CC1(C)CC(C)(C)C1	2215385143	NBCDFKYGTIUCMW-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)C(C)(C)CCC	2216278754	NZUOTDZUYHIAHL-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CN[C@@H]1CCC[C@H]1CCCCCCCC1CC1	2216879378	IPCDCFLDUJIITH-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@]1(N)CCCCCCCC1CC1	2216883638	MMWCLDVUAKTXQD-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC1CCC(C2CC2)CC1	2218891375	DAIZEDMWYHVZJL-MNAZLIDISA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@]1(CNC(C)(C)C)CC=CCC1	2220878022	LUHPHANJYJIJQL-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@H](N)C2(C)CC3(CCC3)C2)CCCCC1	2221003567	DCBYSQKHDCBOKS-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@@H](NCC2CCC(C(C)C)CC2)CC1	2221664089	VDUDBTBJYIQLDD-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@H](CN[C@H]2CCC(C)(C)C[C@H]2C)CC1	2221668729	QRCRJFSQZMEDFI-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](C)[C@@H](O)CCCC(C)(C)C)cc1	2223969342	WBGFJMQTRKXTNF-HOCLYGCPSA-N	248.410	4.676	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1ccc2occc2c1	2224159218	RZXVLIJVQWVXGA-OAHLLOKOSA-N	243.350	4.569	0	10	BJAE	
C/C=C/CCCCc1ccc(CCC)cc1	2243558756	ZADZTIZHOMDVTA-HWKANZROSA-N	216.368	4.928	0	10	BJAE	
CC(C)C1(C(=O)c2cc3ccccc3s2)CC1	2246951943	JEQAKESZZLNPAB-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C(C)(C)C1CCC1	2247160366	UBCGUQMFFDZAFV-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC=C(CC)[C@H](NCC)c1csc(C2CC2)c1	2248045287	UNXBFLGHIOCITD-HNNXBMFYSA-N	249.423	4.632	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1cccc(C(C)(C)C)c1	2249232018	DAEMOSDCWQVNKW-DOMZBBRYSA-N	231.383	4.585	0	10	BJAE	
Cc1cccc(NC2CC(C[Si](C)(C)C)C2)c1	2249644127	BLGGPIFNUSPMFV-UHFFFAOYSA-N	247.458	4.524	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)C1CCCCCC1	2250353317	TXOJHSWMQBKZFJ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC1(CO)CCC1	2250473599	FNUQPHQYYMWOAZ-HNNXBMFYSA-N	240.431	4.782	0	10	BJAE	
CCNCC(C)(C)CC[C@H](C)CCCC(C)C	2250490400	IRYZIBWYHAXJFG-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
Clc1ccccc1NC[C@]12CCCC[C@H]1CC2	2251159242	SBHPNXXKFGYGRE-SWLSCSKDSA-N	249.785	4.722	0	10	BJAE	
CC[C@@H](C)C(=O)c1cccc(C2CCCC2)c1	2251253590	POHDYHQKLBRIPE-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](N)C[C@@H]1CCCCC12CC2	2253789307	RLMIOOAPHZRJBA-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)CC1CC2(CCCC2)C1	2254118018	CPJWNTTXTMUSRH-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@H]2CCC23CCC3)CC1	2254843418	HMLHTBYDHZAHFF-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]1CC(C)(C)C[C@H]1CC1=CCCCC1	2255136086	GBOQHHJBZOOOIC-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)CC[C@H]1CCCC12CC2	2255221253	DXTLEYHPDBKWPG-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](C[C@@H]1CCCC12CC2)NCC	2255228507	STYXVPAORGGWMD-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(F)c1NC1CCC(CC)CC1	2256116516	ZNITXLQDYNRQLA-UHFFFAOYSA-N	249.373	4.769	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC[C@H](O)c1ccccc1	2257251527	GYPSLOANSLMCKD-UAGQMJEPSA-N	246.394	4.717	0	10	BJAE	
C[C@H](NC[C@@]12CCCC[C@@H]1CC2)C1(C)CCCC1	2260602962	LPPAUSIWYTXJST-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
NCC1(C[C@]23CCCC[C@H]2CC3)CCCCCC1	2260650100	BCNMWRLETKAIRX-DOTOQJQBSA-N	249.442	4.646	0	10	BJAE	
CC1CC(CCC(=O)CC2CC3(CCCC3)C2)C1	2261503692	MZNQIPJFQYZSMP-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)([C@@H](C)CC2CC2)CC1	2298911848	RQNSBRGUOVJJTR-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC(=O)C[C@@H]1CCCC1(F)F	2300683799	NJGIAOOQUNPKTC-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
C/C=C/CCCNCC=C(C)CCCC(C)C	2300865901	SYHCPWLMEGPANG-CHIOMFQBSA-N	237.431	4.705	0	10	BJAE	
CC[C@H]1C[C@H]1[C@H](N)CC=C(C)CCCC(C)C	2300876661	IVTHPRLHULXUBS-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
Cc1ccccc1-c1nc([C@@H]2C[C@H]2C)c(C)s1	2301187995	GWYXHMBVTUPXHM-ZWNOBZJWSA-N	243.375	4.550	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CC2CCCCCC2)[C@@H]1C	2301206391	BBVFITCAJDQNIY-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)n1ccc2cc(F)ccc21	2301831764	GDCDWZGVRZACJU-RYUDHWBXSA-N	233.330	4.634	0	10	BJAE	
CC(C)CCCCC[C@H](O)CCC[C@H]1C[C@H]1C	2302609323	QALZOFSJGNPJHR-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](O)CCCC2CC2)C1	2304387708	PVPAORLWKNSUTE-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCC(C)C)CC[C@H]1CCC(C)(C)C1	2304434633	DXTUWPQYJHCWEF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H](CCC)CC(C)C	2307900492	GELUXBNBBJORHQ-HRCADAONSA-N	241.463	4.993	0	10	BJAE	
C[C@H]1CC(CC(=O)C[C@@]23CCC[C@@H]2C3)C[C@H](C)C1	2310377766	MXDIBSXNAJBQIT-SMKXDYDZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CC[C@@]23CCC[C@@H]2C3)C1	2310380224	QWUYWRGUQGMCGS-MZBWOGCUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@]12CCCC[C@@H]1C2	2311130438	PGSZKDFNDBYISL-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CC12CCC2	2315878389	STXNJHXPCUXQRQ-HNNXBMFYSA-N	243.394	4.721	0	10	BJAE	
Cc1ccc(C(C)C)c2c3c([nH]c12)CCCCC3	2316224481	GENOVKZKSUNECZ-UHFFFAOYSA-N	241.378	4.869	0	10	BJAE	
CC(=CCNC[C@@]1(C)C=CCC1)CCCC(C)C	2316492250	RTUFGGGATHQNBS-KRWDZBQOSA-N	249.442	4.705	0	10	BJAE	
CC(=CCN(C)C[C@H]1C=CCC1)CCCC(C)C	2316516941	NLSVHTJLTDWTEY-KRWDZBQOSA-N	249.442	4.657	0	10	BJAE	
CN[C@H](CCCC1CCC1)CCC1=CCCCC1	2317973014	BXHUPGSZVFLWLR-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1[C@H](Nc2ccc(C(C)(C)C)cc2)CC1(C)C	2318182074	JJLIIVXBLSAYCJ-IUODEOHRSA-N	245.410	4.831	0	10	BJAE	
CC1(C)CC(CCCC2=CCCCC2)=C[C@H](N)C1	2318595592	RECCMAOWJAFMES-INIZCTEOSA-N	247.426	4.731	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CC(=O)CC3(CCC3)C2)C1	2319134159	GWLJVOKBJWWCGV-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1cc(F)ccc1C1CC1	2319173784	MWZHRSMJGLNKRT-BZNIZROVSA-N	249.373	4.529	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@@]12CCC[C@H]1CC2	2320218107	UCSROYZPZBUKFM-CFAJVAMVSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(OC[C@@H]2CC[C@H]2C(C)(C)C)cc1C	2320254218	QBQZMADQZHWPHC-GOEBONIOSA-N	246.394	4.755	0	10	BJAE	
Cc1ccc(OC[C@H]2CC[C@@H]2C(C)(C)C)cc1C	2320254320	QBQZMADQZHWPHC-ZBFHGGJFSA-N	246.394	4.755	0	10	BJAE	
CC1=C(C)C[C@@](CN)(C[C@@H]2CCC(C)(C)C2)CC1	2320260179	BLXCXBHUHVKYFX-NVXWUHKLSA-N	249.442	4.668	0	10	BJAE	
Cc1cccc(N(C)CC[C@@H]2CCC(C)(C)C2)c1	2321588871	WONSIXLHPKZQST-HNNXBMFYSA-N	245.410	4.648	0	10	BJAE	
CC1=C(C)[C@@](N)(CC[C@H]2CCC(C)(C)C2)CCC1	2321610389	GTOLUJMVXHCZPL-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H](CC)CN1[C@H]2CCC[C@H]1CC1(CC1)C2	2328294371	RXPIPFOBXYPCDV-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC(=Cc1ccccc1C1CC1)c1cccc(N)c1	2341759616	BUBDFFIEJXDHRR-UHFFFAOYSA-N	249.357	4.707	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](N)C2CCCCC2)cc1	20549537	JCSZBEWOICNCOV-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cccc(C(C)C)c1	20556594	BTMSUTHTILSIGW-QWHCGFSZSA-N	219.372	4.657	0	10	BJAE	
Cc1ccc(C)c([C@H](C)Nc2cccc(F)c2)c1	21806129	PJVZCWYRINVRDN-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCC[C@H](CC)CCC[C@@H](CC)NCC	70746560	GWCCXKUXUDWFFA-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
C[C@@H](C#N)c1ccc(C2CCCCC2)c(F)c1	79929605	XFEKPYBBZGAWOT-NSHDSACASA-N	231.314	4.500	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H](C)CC)CC1	83437364	LMXQELFRKYXUQZ-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC)CCC1C[C@@H](C)C[C@H](C)C1	84958339	WKHUVENDABEXFU-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2C[C@H](C)CC[C@@H]2C)c1	85085488	UEHTUPVYUCDLGJ-IVMMDQJWSA-N	231.383	4.540	0	10	BJAE	
CCc1ccccc1O[C@H]1CCCC[C@H]1CC	85151040	ANQXVGNPBCRWGB-ZBFHGGJFSA-N	232.367	4.597	0	10	BJAE	
CCCCCC[C@H](O)C[C@H](C)c1ccccc1	87181211	VALUZHUEZNFDRK-HOCLYGCPSA-N	234.383	4.512	0	10	BJAE	
CCC[C@@H](C)COc1cc(C)c(N)cc1C(C)C	87465543	ILAZGRSNTXCHNA-GFCCVEGCSA-N	249.398	4.516	0	10	BJAE	
CC(=O)CCCCc1cc(C(C)(C)C)ccc1C	98128291	JYGWMRKQWVEOBH-UHFFFAOYSA-N	246.394	4.594	0	10	BJAE	
C/C=C\C[C@H](CC)c1ccc(CC)cc1	107484849	CKLMLNGBANTEGZ-ZBKLQPJUSA-N	202.341	4.709	0	10	BJAE	
CC/C=C\C[C@H](CCC)c1ccccc1O	107554714	HURZHIJFONLHBO-SZZPACECSA-N	218.340	4.632	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)c1ccc(C)cc1	109719846	KIDTUOLUEFPVSU-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)c1ccco1	109742702	RBXFLJUFRKLBNI-KBPBESRZSA-N	237.387	4.537	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(OCCC)cc1	109949363	FDUBPJDFIFRSQK-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
CCN[C@H](CC1CC1)c1ccc([C@H](C)CC)cc1	110208313	PHQSESUQKXAWGZ-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1ccccc1C	111817355	YILXHCDDVWSBLW-GDBMZVCRSA-N	234.383	4.635	0	10	BJAE	
CC(C)CCCOc1ccccc1C(C)(C)C	128146602	JSFNZPSEKSMDAC-UHFFFAOYSA-N	234.383	4.799	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1C1CCCCCC1	149210444	MMTVKEXDPNNWQU-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)NC[C@H]1CCCCC[C@@H]1C(C)(C)C	155858362	NAWRCYHCPXXMHS-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C1(CC)CCCC1	162486672	GRBNVQWVYHNCSP-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)cc(C(=O)CC2CCCCCC2)c1	164139301	SFWSURZUHMJAPE-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
Clc1csc(-c2cccc(C3CCC3)c2)n1	167273634	DZECLNHDUHMYLV-UHFFFAOYSA-N	249.766	4.731	0	10	BJAE	
CCCCCC[C@H](O)[C@H](CC)c1ccccc1	168239348	UNVXRTFJJKKAOV-CVEARBPZSA-N	234.383	4.512	0	10	BJAE	
CCC(CC)c1sc(C(C)=O)cc1Cl	216540068	AHNFWAQVHJNVNP-UHFFFAOYSA-N	230.760	4.508	0	10	BJAE	
CCC[C@@H](C)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1N	222553754	SYCODYXBFUMBSF-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc([C@@H](O)[C@@H]2CCCCC2(C)C)cc1C	226651847	CZIAZHWNTZINDV-JKSUJKDBSA-N	246.394	4.553	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)c1cccc2ccsc12	226794396	XBNDKKTWBXZKAK-JQWIXIFHSA-N	244.359	4.520	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC[C@@H](N)c2ccccc2)C1	227161356	RYZLLURHAGYQLN-HLLBOEOZSA-N	245.410	4.683	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)c2cc(C)cc(C)c2)C1	227389831	WKODMODCFVGYHY-HLLBOEOZSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H](C)C[C@H](O)CCC1CCCCC1	229269573	GUSYNUJWANCNHI-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2CCC23CCCCC3)CC1	235420552	NVUHVUWUXZUERF-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
Cc1csc2c(Cl)ccc(Cl)c12	238554868	FJCNOAAHCCPURI-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCCCC2(C)C)C1	251648478	GIVKYQVLBRSNTK-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCC[C@@](N)(C[C@H](C)CC(C)C)c1ccccc1	305908958	DTDRYSDFNXUEKA-NVXWUHKLSA-N	247.426	4.713	0	10	BJAE	
CC(C)C(Nc1cccc2c1CCCC2)C(C)C	306119136	YMBPMTDYWNWZDO-UHFFFAOYSA-N	245.410	4.658	0	10	BJAE	
Cc1cc(C(F)F)cc2cc(Cl)sc12	306916798	YDDZXGKEDZYWLZ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCc1ccc2sc(Cl)cc2c1CC	307189565	USYQAWCZYOWPBT-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
Fc1cc(Cl)c2cc(C(F)F)sc2c1	307436605	RAARNHJGBPMNPH-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1c(C)cc(C)cc1C	308024149	MDLYRJSUEBPVBN-NVXWUHKLSA-N	248.410	4.718	0	10	BJAE	
CCCC(CCC)[C@H](CC1(C)CCC1)NCC	310516864	MNCPUWGVJZOBGM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(CC(=O)[C@@H](C)c2ccccc2)CC1	310735385	GGGNWFWGRKAYPX-SLTAFYQDSA-N	244.378	4.576	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@@H](C)C1)c1ccccc1	311060114	YXCCRUZMKYSZDY-HLLBOEOZSA-N	245.410	4.554	0	10	BJAE	
CC[C@H](C)CC1(CNC2CC2)CCCCCC1	317563591	KKSSBQBMUBPIBR-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C/C=C\CC1(CNC(C)C)CCCCCCC1	317979638	UZFLHPJVAJFVBH-PLNGDYQASA-N	237.431	4.681	0	10	BJAE	
CCC[C@@]1(CNCC(C)C)CCC[C@H](CC)C1	318001782	AKLFYJPOTANAIC-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC1CCCC1)CC1(CC)CCC1	379764507	GXYKJHJYIQSNCO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](CNC(C)C)C(C)C	383252142	KLWRJELGGPRINY-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(O[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1C	383484659	TZVIYUIKNHBKRG-ATCWAGBWSA-N	232.367	4.507	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1CCC(C)CC1	383528874	QGXJYTZMCRAMCI-YMAMQOFZSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](CC)[C@H](C)CC1CCC(C)(C)CC1	383896949	MYXKCPLUQNDSQI-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)[C@@H](C)c1ccccc1	384530683	DZAGUHCDYINQBI-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
CCCC1([C@@H](O)c2ccc([C@H](C)CC)cc2)CC1	385192798	WAFXSOPAAWGSPI-CJNGLKHVSA-N	246.394	4.814	0	10	BJAE	
CN[C@@H](c1cc(C)cc(C)c1)C(C)(C)C(C)(C)C	386495232	KNTBFNOHCHYVAX-HNNXBMFYSA-N	247.426	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@@H]2CCCC23CCC3)C1	394853268	GVJDILDDMRMFSE-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@H](N)CCCCCC(C)C	394873298	VBQKWMMRBYRMTC-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
CCC(/C=C(/c1ccccc1)[N+](=O)[O-])(CC)CC	395170892	LPXDBOGDCFMPAM-OWBHPGMISA-N	247.338	4.521	0	10	BJAE	
CCC(CC)(CC)[C@H]1CCN[C@@H]1c1ccccc1	395171685	DDJXHFYFNXJKAQ-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CCC1)C(CC)CC	398645737	CKDVXSUWJYQFMV-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1cccc(C)c1C	401596173	VULKMCKTHTYADO-CVEARBPZSA-N	245.410	4.932	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC1(CC)CCCC1	401789502	FPTQOORIFWMVFJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@](C)(O)CC(C)(C)c1ccccc1	686649338	DADWZUKTCWIMFF-KRWDZBQOSA-N	248.410	4.542	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCCCC[C@@H]1C	691134908	HNJPLDGIPZJESW-BBRMVZONSA-N	245.410	4.938	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc2sccc2c1	691864498	BZWRWRNOXWLOKN-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@H](C)C1CCC1	692681554	WMEHHPQUNZPPRA-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](CC)C1CCCC1	695057859	BBDFFXXBWOVQBU-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)CC(C)(C)CC	696600625	MECXBMUURADKNO-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C(C1CC1)C1CC1	697772404	QIZQFWJPDXTDRB-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCCNC/C(=C\[C@@H]1CC1(C)C)C1CCCCC1	700663970	QCPVNPBMOUPEAR-RBFDBLARSA-N	249.442	4.539	0	10	BJAE	
NC1(CC2CCCCC2)CCC2(CCCC2)CC1	704448669	GTACSWHOSPLEIH-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
c1ccc2c(N[C@@H]3CCCC34CC4)cccc2c1	706577437	SAIWKRSJYQKPOE-MRXNPFEDSA-N	237.346	4.584	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC/C=C/c1ccccc1	709257302	GRHWWRQLKNYBIH-USYSOWRXSA-N	244.378	4.731	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@@H]1CCCC2(CC2)C1	709977147	LIEYDWAOWCMLQB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)(C)C)CC(C)(C)C	710791378	AUQZAZUQXPIIFH-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]2CC[C@H](C2)C1)C1CCCCCC1	711190743	CXJWKPBQMOINKD-AIANPOQGSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@@H](C)C(C)(C)C	711208181	LDJQZESONTWCHP-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)c1sccc1C	711271059	ISFCTQWQNJAJGF-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@H](CCC)CCC(C)(C)C(C)C	713138505	CTDDTKUUZVFYHR-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](O)C1CCC(C(C)C)CC1	713169623	OPSQIHFZYVJVMO-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	713350217	AWZICGNRMVQJKE-WBMJQRKESA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)CCC(C)(F)F	714025240	GGKFUBVUDYMKAJ-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@H]1NCCCC(C)(C)C	717454687	KZFZSFFEZBPHPP-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CCC(C)=C(C)C	718505365	HCQWZVYDCMJQTC-CABCVRRESA-N	225.420	4.523	0	10	BJAE	
CCCC1([C@H](CCC(C)=C(C)C)NCC)CC1	718590926	AOYWUQCHECNXFU-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)c1ccc(O)c(CCC=C(C)C)c1	718629449	SAWYQIBJZTZURT-UHFFFAOYSA-N	246.394	4.979	0	10	BJAE	
CCc1ccc(C(=O)CCC(C)=C(C)C)cc1	719181098	RZGFDAJFKDIWPM-UHFFFAOYSA-N	230.351	4.568	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@H]2CCC[C@H]21	722060145	CYNDYCMLZCUYKW-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@H]1C)c1ccc(C(C)C)cc1	722612907	SOYKXHLZTYZEQH-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CC[C@H](C)S[C@H](C)c1ccc(Cl)cc1	1559366049	HGBDMNAQQDXRTP-VHSXEESVSA-N	228.788	4.933	0	10	BJAE	
CC[C@H](C)c1ccccc1NC1CCCC1	1776010137	GHWKCXGLFNFKCL-LBPRGKRZSA-N	217.356	4.555	0	10	BJAE	
CCC(C)=CCCC(C)(C)C(F)(F)F	1888061810	ZJBGBHABMBJDPR-UHFFFAOYSA-N	208.267	4.711	0	10	BJAE	
CCC(CC)CCOc1cc(C)cc(Cl)c1	1900692342	CFSLPKHJLZVHLS-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
CCC(CC)CCC(C)(C)CNC(C)(C)C	1900693744	QUWKOPICWUXTQZ-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@@H](C)CC	1900704011	OMQDAMCSZWOYJS-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CC(=O)C[C@H](C)CC=C(C)CCCC(C)C	1900825590	GJOZZKYYGRMUOC-CQSZACIVSA-N	224.388	4.764	0	10	BJAE	
CCC[C@H](CC)CN(C)CCC(CC)CC	1905306499	PCKLJKLVBYQQDV-HNNXBMFYSA-N	227.436	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@@H](CC)CCC1=O	1905347226	UEUQXQVGQVLWAI-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)CC1CCCCC1	1905433647	HKVJZOBVCOBZMH-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](CCC(C)=C(C)C)NCC	1910623664	AARHDFKFUKOLHO-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC(=C[C@@H]1CCC[C@H](CC)C1)CNC(C)C	1911910896	LOCDHWAKDOZOGT-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NC1CC2(CCCCC2)C1	1912698365	SPAGJNGOAABPKF-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@@H]1CCCCCCCC[C@@H]1NC	1913391264	JHTJCZYUEVEGCV-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H]1CCCCCCCC[C@@H]1O	1913398455	PTWXPJSGNNIDSA-GJZGRUSLSA-N	226.404	4.678	0	10	BJAE	
CCN[C@H](C)c1ccccc1C1C(C)(C)C1(C)C	1917174114	KNRBXRNCZUGMLH-GFCCVEGCSA-N	245.410	4.507	0	10	BJAE	
CC[C@@](O)(CC1(C)CCCC1)c1ccc(C)cc1	1919881868	RTGMWTVKASEMQQ-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
C=CC=CCC[C@@](C)(O)c1ccc(C(C)C)cc1	1920037639	DVPNJBTYHUJSHV-QGZVFWFLSA-N	244.378	4.540	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1CC(C)(C)C1	1920188790	IWNJJCOEQNRRNH-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](NCC1CC(CC)C1)c1ccccc1	1921250246	SCLNLQRJXVZREP-DQPZFDDXSA-N	245.410	4.554	0	10	BJAE	
CCCNCC1(CC(C)(C)C)CC(CCC)C1	1921260720	BAZQYPQHKQJCFS-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC1CC([C@@H](CCCC(C)C)NCC)C1	1921273504	UHSJTAQKUSICHZ-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC1(CNC[C@H]2CCCC23CCC3)CCCCC1	1921614371	FOZJJDZJLXTCMQ-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
FC1(F)CC[C@H](CC[C@H]2C=CCCCC2)C1	1925817782	UIJSGQCNLWXHBH-STQMWFEESA-N	228.326	4.948	0	10	BJAE	
CCC(CC)CCNC[C@@H]1CCCC[C@@H]1CC	1926169475	CRRHKOTXRHTBEC-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
Cc1sc(Cl)cc1[C@H](O)CCCC(C)C	1933599560	INLROBPHDKCNCE-LLVKDONJSA-N	246.803	4.570	0	10	BJAE	
CCCC[C@@H](NCCC)C1(C)C(C)(C)C1(C)C	1940281917	DYAXPJHRNBFJFO-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](O)CC1(C)CCCCC1	1940409863	ZIGBDDRZWCFORA-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)C[C@H](C)C(C)(C)C	1941271884	GKXPQCACOAPFHU-RRFJBIMHSA-N	241.463	4.704	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)CC1CCCC1	1944666309	PFKKMMJHQOUEAQ-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C(C)(C)C(C)C	1944681995	XWBAPQLEGODUEB-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCCC(=O)CCc1ccccc1C(C)C	1948423990	XGYZPPHSGVGTIA-UHFFFAOYSA-N	232.367	4.502	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1CC[C@H](C)[C@H](C)C1	1948865230	UBURLQCPUKTIPO-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCC(=O)CC1CCCCC1)CC(F)F	1949920708	FJANAJPMJVKEBX-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC)CCCC(C)(C)CC1	1950913288	GCIATIJVWWBHMD-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1N[C@@H]1CCCC12CCCC2	1964605813	INNAKQHEWDGRPD-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCCCC2CC2)cc1	1966144991	QDSFSZHNVNIAOZ-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
Cc1cccc(NCC[C@@H]2CCC[C@@H](C)C2)c1	1968253198	YOQZPWYJBFWVHF-HIFRSBDPSA-N	231.383	4.623	0	10	BJAE	
C1CCC(CCNC(CC2CC2)CC2CC2)CC1	1968848949	MAUWHJFSVUSKLB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1C[C@@H]2CCCC[C@H]2C1	1968859674	QLAOEKQSORDZGZ-AESZEHBQSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)CCN(C)C[C@H](C)C1CCCCC1	1970737646	OVFGZARTEMUNSP-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H](C)CC(C)C	1978451530	KLLHWHRXEMKDKV-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@](CC)(CN)CCCC1(C)CC1	1978629063	WKROJBHMZFYBDK-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CCCC(CCC)CNC1(C)CCCCC1	1981292843	YETIPIJXOJUOAQ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCCC1CC(N)(CCC(C)(C)CC)C1	1984744512	LNFGBNGHTQVBFK-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(Cl)cc1	1986948329	NLFGBVZVDJBDBO-CYBMUJFWSA-N	239.790	4.967	0	10	BJAE	
CCCC(=O)CCC1CCC(CCC)CC1	1989837209	PVOKCLLZLDOCBC-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC1CCC(CC(C)(C)CC(C)=O)CC1	1989838360	FATUGNDPTCBHQS-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C(=O)c1cc(Cl)ccc1C)C(C)C	1993491904	RXLQDJZIPCIUSB-GFCCVEGCSA-N	238.758	4.513	0	10	BJAE	
CCC(C)(C)CC[C@H]1CC(C)(C)CCC1=O	1994035979	DRZNDTOEDYNAMA-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C(C)(CC)CC)CC1	1997116128	JFERISLSBGHUIR-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)C[C@H](NC)[C@H]1CCC[C@H](CC)CC1	1997117384	QMLXBHCFJHJDFQ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNCCC=C(C)C)CC1	1997215916	RVTPMASAZCFWDB-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CSc1ccccc1N[C@H](C)C1CC(C)(C)C1	1998649002	GSFDINRKKRMLLV-LLVKDONJSA-N	249.423	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)C[C@H]1CCC=CCCC1	1999978857	JRALRCOCDVSFHZ-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1C[C@H]2CCCCCC[C@@H]21	2001503598	IBPFTORXXUTISN-OWCLPIDISA-N	231.383	4.636	0	10	BJAE	
CCCC(CCC)C(=O)C1CC(C(C)(C)C)C1	2002321572	PZEOOCUYOIHVTH-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1CCC2(CC2)C1)NC	2003221020	MEGBPRQXRORFMR-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC1CCC2(CC1)CC2	2003221601	PZXSZKGJBFXCFC-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(O)(C2=CCCCCC2)CC1	2004340336	ZIZYLJUKQCBVPN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@@H](C[C@H](C)CCC)C1	2006624634	RKILJGVEYWQXEC-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCC(C)(C)CC)CC[C@H]1C	2006940115	ABYXJWSFWOPDAS-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)C1(C)CCC(C)(C)CC1	2007683683	TWBXPOPSGHCBDV-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@@H](C)C(C)(C)C	2009545160	XCMSPJDRXSNAEQ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@H](CCC1(C)CC1)NC)C(C)(C)C	2009548808	QPXPMKDHVGMTQF-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](CCC)CC[C@H]1CN	2009610341	GBVQXVXSKNKLEN-OOAARUEISA-N	237.431	4.524	0	10	BJAE	
CCCC1CC(N[C@@H](CCC)C2CCCC2)C1	2009788604	WZTFANCXAYGGPQ-BCLQGDPASA-N	237.431	4.514	0	10	BJAE	
CCCCCC1CC(N)(CCCC2CCC2)C1	2009791387	LLCUPBZJMFHHCZ-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)(CC[C@](C)(N)C1(C)CCCC1)C1CC1	2014322318	AHKXHLMQYIEIHY-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)[C@@H]1CCCC(C)(C)CC1	2015276736	AOSFSRBITYCOEX-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C[C@H](N)C[C@H](C)C(C)(C)C)C(C)C	2015284465	NYNOLFSKYZIXSX-UONOGXRCSA-N	241.463	4.704	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCCC(C(C)C)C(C)C	2015356605	IAFUZRZSOLWXEN-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)CC1(CC)CCC1	2015599307	JXGDAZWZEWWMDQ-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
C[C@@H](N(C)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017129235	MLTGEGVLVYHULN-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1(C(C)(C)C)CCC1	2017133167	NZGCXFJUSMTDGF-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CC(C)=C(C)[C@@]1(N)CCC[C@H](C(C)(C)C)CC1	2017472355	JEUWZFYHDYUOPV-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCCC1CCC(C[C@]2(C)CC[C@@H](O)C2)CC1	2017714455	GPPRABLBLZOUBR-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@@H](O)CCC2(C)CC2)CC1	2017716439	RZFVOMDNFWHRKA-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@](N)(CCC)[C@H]2CC2(C)C)CC1	2018975792	PZMDDFLGFVKMSX-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(N2CCCCCCCC2)CC1	2019172378	SRMYSEQCNQXMKZ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CCC)C(C)(C)CC	2022486415	WZJRMHQGVSSWEP-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C[C@H](C)C1CC1)c1ccc(C(C)C)cc1	2027620495	HMHBMGOMXQWAKR-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CCCCC[C@@](C)(O)c1ccccc1C1(C)CC1	2028555131	QMMZKZYKWZLWCX-QGZVFWFLSA-N	246.394	4.526	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)c1ccccc1C1CC1	2028560748	SZVHYASNAOKYNW-LRDDRELGSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)CC1CCCC1	2028896997	IJIPVPFCNZHVHK-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1ccccc1C1CCC1	2029072433	XGMGKAYEYIZKPS-JSGCOSHPSA-N	242.362	4.573	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)[C@H]1CC12CCC2	2032131696	KVWJCODEAWBUEE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1ccccc1C1(C)CC1	2032242375	GRUOEMONNODDEX-DZGCQCFKSA-N	243.394	4.729	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CCC(C)(C)C2)c1	2033388283	SDCARXORSYRUNW-HNNXBMFYSA-N	244.378	4.819	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc2c(c1)CCC2	2035419787	DBBRSUVZJFBDTL-PBHICJAKSA-N	243.394	4.556	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@](N)(CC1CCCCC1)C2	2036662847	ZFXLXMCUYGWKGM-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)c1ccc(CC(C)C)cc1	2037125663	LFFNTZOURSTFNK-GRDNDAEWSA-N	247.426	4.567	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(N)CCCCC12CCC2	2037177943	ILETUQLPGACMTP-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1([C@@](C)(N)CC2[C@@H]3CCCC[C@@H]23)CCCCC1	2039873442	WJLYIGLKKUHNEC-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(CC1CC=CC1)C1CCC(C)(C)CC1	2040648502	UIBYMSCJNPZTPV-QGZVFWFLSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@]23CCCC[C@H]2C3)C1	2043001668	TXRVTAJMLVNZRJ-VSUJBEPISA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)[C@@H]1C=CCCC1	2043185882	AIUYOCVGFLBVDD-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@](N)(C[C@@H]1CCC=CCCC1)C1CCCCC1	2045311950	MFZQAHUDYAXKME-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2046487458	ZVQOKSAYUGQJNP-FICVDOATSA-N	243.394	4.801	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@H]1CCC12CCC2	2047958846	LVAJRTOFHXTNCN-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCC[C@](N)([C@H]2[C@H]3CCCCC[C@H]32)CC1	2049225302	NLMFNKXNYVHHFT-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]1[C@H](C[C@@H]2C=CCCCC2)CC[C@H]1C	2049342279	SSKKFMOOPGDYGB-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1CCC([C@H](C)N[C@H]2C=CCCC2)CC1	2049417991	MRTLXWZRBPYOKG-OTBWCIGPSA-N	249.442	4.536	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2C=CCCCC2)C1	2049515618	SHHFCAUJHGIQKD-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2CCC[C@@H](C)C2)cc1C	2049535850	HZIIHRZHDZDRLD-WQVCFCJDSA-N	245.410	4.930	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2CCC3(CC3)C2)CCCCC1	2049848618	KKXRZSMBVXUPPV-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
NCC[C@@H]1CCC[C@@H](C[C@H]2CCCC3(CC3)C2)C1	2049854840	KUGHJSHWXBWULG-ARFHVFGLSA-N	249.442	4.502	0	10	BJAE	
NCC[C@@H]1CCC[C@@H](C[C@@H]2CCCC3(CC3)C2)C1	2049854843	KUGHJSHWXBWULG-XHSDSOJGSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2049941696	ZJDGYMXUWIMANU-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCC1(N)C2CCCC1CCC2	2050012395	PYNHTWFKTMSAFQ-UKEPKTAJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](COc1cccc2c1CCC2)CC(C)(C)C	2050412221	ONVWTLVGHYBHPR-CYBMUJFWSA-N	246.394	4.626	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)c2cccc(F)c2)C1	2050495990	ZXBYQIVEQVVULW-STQMWFEESA-N	248.341	4.615	0	10	BJAE	
NC[C@]1(CCC2CCCC2)CCCCC12CCC2	2053420818	NCAXKNCLXIQACP-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CC1=C(C)[C@](N)(CC2CCC(C)(C)CC2)CCC1	2055608147	PRGDBKZRJJTUIJ-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC(CNc2ccc(CF)cc2)CC1	2055677666	JHAPHRPYRSSFLR-UHFFFAOYSA-N	249.373	4.784	0	10	BJAE	
NCC1(CCC2CCCCC2)CCC2(CC1)CC2	2056523691	QGCLAXMQAXZFKK-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@@]3(C(C)C)C[C@@H]23)c1	2058564056	ZMEJBXDQLNJIBH-UXLLHSPISA-N	243.394	4.540	0	10	BJAE	
CCC1(C)CC(Nc2cccc3c2CCCC3)C1	2058829664	MGLPOHFHRPQNKY-UHFFFAOYSA-N	243.394	4.556	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCC[C@H]3CC[C@H]32)C1	2059393268	CRXPMWOCMLLYBF-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)[C@]1(C)CC1(C)C	2060928870	IEWPLMHFXXWXRP-UNEWFSDZSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@](N)(C2=CC[C@@H](C(C)C)CC2)CCC1	2061117120	WLSZSPYADXYOKK-WBVHZDCISA-N	247.426	4.587	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC1CC(=C2CC2)C1	2061696954	WZASYQJKWRPUSP-BBRMVZONSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1C[C@H]1CCCNC1CC2(CCCCCC2)C1	2062598219	QBLQTFJXGFXDMC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCc2ccoc21	2062958084	XBQRVEPROZKOTH-GJZGRUSLSA-N	249.398	4.606	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1CC2(C1)CC2(C)C	2063997474	VNNCWTMOEOAAKC-XZQITBAMSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)C)c1ccccc1C(C)C	2068839729	AURLJDURMUIMSZ-RHSMWYFYSA-N	247.426	4.753	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C1(CC2CCC2)CC1	2069585304	PIQGYJUSEISSGB-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H](C)C1CC=CC1)C1CCC(C)(C)CC1	2070809826	DEFFHQILMPVCFV-KGLIPLIRSA-N	249.442	4.536	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)c1cccc(C(C)(C)C)c1	2070950129	GKSRZVOGJHCNJZ-PXAZEXFGSA-N	244.378	4.603	0	10	BJAE	
CC(C)NCC1(C[C@]23CCC[C@H]2C3)CCCCC1	2070961801	FSHWWDCHJOMBBX-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@@H]3C[C@H]23)CCCCCCC1	2071054626	IAYHBGQZFZNJJK-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@]12CCCC[C@H]1C2)C1CCCCCC1	2074029852	QCLHRRGWILCBBR-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2074101572	ONSQSRQSSWICBN-AESZEHBQSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CCCC3(CCC3)CC2)C1	2074892895	QGSIYWVEJLPTIM-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
C1=C[C@@H](N[C@@H]2CCCC3(CCCC3)C2)CCCC1	2075365087	KPICHKUNPQWIEI-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CCCN(C1CCCCCC1)[C@@H]1CC[C@@H]2C[C@H]2C1	2076556925	WFRRHTBQNBWCFQ-HLLBOEOZSA-N	249.442	4.610	0	10	BJAE	
CC1CC([C@@H](C)Nc2ccccc2C2CCC2)C1	2077264567	VRMOBZLHRARCSC-JVWICGRDSA-N	243.394	4.801	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1C[C@H]2CC[C@H]1C21CC1	2078341090	VTACHCCOZKHZBK-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1COc1ccc(C(C)(C)C)cc1	2079808008	CVQLZEQYMZJZHJ-ZIAGYGMSSA-N	246.394	4.799	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H]2C[C@@H]2C2CCCC2)C1	2079852286	PRWBUVBCIFLJCB-OMFOHFGMSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C)[C@H](N)CCCCCCC1CC1	2210525622	SMCGQTITVZSTSL-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](CCCCCCCC1CC1)C(C)(C)N	2212464974	XRBFLROCAHNPOG-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CC[C@H]1[C@@H](O)CCCCCCC1CC1	2213575353	FGRHQPWLFNNPKJ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](O)CCCCC1CC1	2214565212	KYBOXKDBKCGBQR-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)[C@H](C)CCC(C)C)CC1	2215813123	MXHWJHQTOZBGHH-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCCCC(F)F)NC	2216458945	UIYKVDDASYVWOW-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](C)[C@H](C)NCCCCCCCC1CC1	2216884171	SGWNLHWPIRQBBX-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCCC1(CNC2CCC2)CC(C)(CC)C1	2217127210	WFWZABPEGJDUTJ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@]1(CN[C@@H](C)CC)CC12CCCCC2	2217142437	WFIMDYIHWQFLQF-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CC1(CN[C@H](C)CC)CCCC1	2217151295	TWTKOPWFCWRHLH-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
N[C@@]1(CCCCC2CC2)CCC2(CCCCC2)C1	2220040667	NQIDHJDTECQUBF-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C1CC2(CCC2)C1	2220045867	PQEKBVAUJXCPMS-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C1(C)CC2(CCC2)C1	2221005141	YIAUYRADROJDJV-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(NCC2(C(C)(C)C)CCC2)CC1	2221602292	CCCADWZXTMKPMA-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](NCC2CCC(C(C)C)CC2)CC1	2221664086	VDUDBTBJYIQLDD-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
C(CCCN[C@H]1C[C@@H]2CC[C@@H]2C1)CCCC1CC1	2223117931	LIMSVXIVXIHZTD-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC=CC[C@@]1(N)CCCCCCCC1CC1	2223130462	MXUQCCXEFAHYCE-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCC(CC)[C@@H](CN[C@@H](C)CC)c1ccccc1	2223598640	TUOAASBCWZAMLZ-WMLDXEAASA-N	247.426	4.595	0	10	BJAE	
CC1=CC[C@](CNC2CCC2)(CC(C)(C)C)CC1	2223604642	OHTAKSUACDWYOZ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(Cl)c1NCC1=CCCCC1	2243243158	KSRMNTMCKUCPNF-UHFFFAOYSA-N	235.758	4.561	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCCC(=O)C(C)(C)C	2243920719	FXSDXZIBBYNGJU-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@H](CC)CCC	2244784565	UMSKCQMIZNEVOQ-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1(CCC)CCC1	2244801492	RIGDHYHMUIDSDG-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C[C@H]1CCCCC12CC2)NCC	2246615925	YRDDOACRORSIPJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCCC[C@@H](O)C2)C1	2246663638	GDIBVGQPQKLSBA-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CC[C@@H]1CCC[C@H](C)C1	2246691945	JTJAEIZAHACEOV-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CC(C)CNCCCCC[C@H]1CCC[C@H](C)C1	2246727504	NNJRMALYSUBGMG-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)[C@H](CC[C@H]1CCC[C@H](C)C1)NC	2246727555	PIDQVJUDAPAALX-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)CCCCC[C@@H]1C[C@H]1C	2248845278	PQGSXPRQBPYEPG-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)CCCC1CC1	2248864352	CDZACEZATXCOOG-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@H]1CC=CCC1)NCC	2250352249	KLDUTNXEWSKEOY-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cccc2ccsc12	2250362273	TYQVZFUDISTSTO-BXUZGUMPSA-N	247.407	4.727	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCCC1CCC1)NCC	2250362869	XGUVXXRUXVGWBR-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](NCC[C@@H](C)CCCC(C)C)C1CC1	2250492787	IXOYWLQENYUISP-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCCN[C@H]1C	2250515123	VWVDAZRTJUYCAZ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CCNC[C@H](C)C(C)C	2250530899	WDXNVMFCPUCMCI-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CCCCC(C)(C)NC[C@]12CCCC[C@@H]1CC2	2251158716	PHYHLOSXXMPDKH-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1cc(C=O)cc(CC2CCCCC2)c1	2253405015	XBIKLKYJAXBHMV-UHFFFAOYSA-N	244.378	4.745	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@H]2CCCCC23CC3)C1	2253790076	DZBHDKOLLQGTAH-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CC[C@@H]3CCC[C@@H]3N2)C1	2253968047	BRKSVTVRJYSDDA-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@@H]2C[C@@H]2C)c(F)c1	2254587738	GBVNXZLGWKLPHD-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@H]2C[C@@H]2C)cc1C	2254589350	VGHGMFKYSDSSRK-YQQAZPJKSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)C[C@H]1CCC12CCC2	2255018011	NRMKDCDGTBCESZ-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@@]12CCC[C@@H]1CC2	2260486514	CIUQSPHISZRZMX-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@]23CCCC[C@H]2CC3)C1	2260547466	QPPCKYNZXDOMIS-GUYCJALGSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2cc(C3CC3)ccc2Cl)C1	2300671230	FWYOPCHBFTUTHR-GXFFZTMASA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1C(C)=CCC[C@@H]1C	2300699034	CUXPCBVUJXISPV-BBRMVZONSA-N	236.399	4.764	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1[C@H]2CCCCC[C@H]21	2300700882	OPEKINDCXIBFFU-MIFYACCESA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)CC1CCCCCC1	2301142657	LGASNGAVUSDCCD-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301143274	SCSRWDMERAKUSL-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(O)CC1CCCCCC1	2301206393	BBVFITCAJDQNIY-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N1CCCCCCCCC1	2301979833	YFRPRXOPRJLMPX-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
Cc1cc([C@H](N)CCCC2=CCCCC2)cs1	2302354440	RDZLNCWAQRUROT-OAHLLOKOSA-N	249.423	4.727	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)(C)C1)C(C)(C)CC	2302902603	RCYMPIAFERRFCE-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCC[C@@H]2C[C@H]21	2302991279	LKMJZHKBPDGBNW-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC(=O)CC[C@H]1CC[C@@H]1C1CC1	2303115339	SHSLOSUQYDSTMR-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCC(C)=C(C)C1	2303460157	YOVNQPDLRODSBJ-HZPDHXFCSA-N	237.431	4.824	0	10	BJAE	
CCCC[C@H](C)c1nc([C@]23CCC[C@H]2C3)cs1	2307699564	DAWFHPAKOVNNNV-HUBLWGQQSA-N	249.423	4.878	0	10	BJAE	
CCC[C@@H](CC)CN(CC)c1ccc(C)cc1	2307760713	KIACRESKYIJJLA-OAHLLOKOSA-N	233.399	4.648	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CCC(C)(C)CCC1=O	2307801644	ONXYNRDUDDCMAO-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@H]1CC[C@@H]1C1CC1	2307893710	OFBSFQWDPMRQTE-JGGQBBKZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309184963	OXHIJYWSOCLHJH-ALYAQQCSSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H]2C[C@H]2C2CCCC2)CC1	2311539804	PNMUQGFVWDROMF-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2	2312903268	NXEOFULVQATUPL-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C[C@@]12CCC[C@@H]1CC2	2313342130	GSPJNBOEYFZMQD-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313346973	SUIAPRHNISGINZ-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@H]1CCCCC[C@H]1C(C)C)C1CC1	2315278360	LUXGZTLUINTRLZ-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@H](NC)C1CC(=C2CCC2)C1	2316247750	IAGJSINBTRDCEI-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(=CCNC[C@H]1CC=CCC1)CCCC(C)C	2316495600	GAHZNCUZVNDGPH-KRWDZBQOSA-N	249.442	4.705	0	10	BJAE	
CCC(C)=CC[C@H](N)c1cccc2ccccc12	2316510375	MOKHSNPVHIXBAE-KRWDZBQOSA-N	239.362	4.586	0	10	BJAE	
CC(=CC=C1[C@@H](C)CNC[C@@H]1C)CCCC(C)C	2316538172	VODCEJQAGPGSPD-HOTGVXAUSA-N	249.442	4.561	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCCC1	2317017114	XZEXACGFBINGTQ-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1[C@@H](C(=O)C[C@@H]2CCCCC23CC3)CC1(C)C	2318249227	VUPAUCWZNQWDTA-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C[C@@H]1CCN1CCCC1=CCCCC1	2318583912	VCYPDRANPFEEKH-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@@H]1CC2CCC1CC2	2318935721	IYEXXUSLZCFOTA-WNZFAQLISA-N	248.410	4.598	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H]1CCCC[C@@H]2C[C@H]12	2319331382	JBKFOLZGDRECSC-PVAVHDDUSA-N	241.378	4.555	0	10	BJAE	
O=C(CC[C@H]1CC[C@H]1C1CC1)CC1=CCCCC1	2319750380	RNWQKAIKDWVWCE-RDJZCZTQSA-N	246.394	4.662	0	10	BJAE	
CC(=C[C@H]1CC[C@@H]1C(C)(C)C)c1cccc(N)c1	2320239668	GIUJNNOKCPPBJR-ZBFHGGJFSA-N	243.394	4.744	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2C[C@@H](C)CC[C@H]2C)CC1	2320268794	TWVXTESYFBPNBE-LBRJOISOSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](NCCCCCCC2CC2)CC1	2320365772	GAHGAXHLNNNMSP-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1=C(C)C[C@H](CN2CCCC[C@@H]2C(C)C)CC1	2320395381	DPVVOMNMUAWYAS-IAGOWNOFSA-N	249.442	4.633	0	10	BJAE	
Cc1cc(F)cc(NCC[C@@H]2CCC(C)(C)C2)c1	2321528974	KNKXPUNQNSYHAD-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
CC[C@@](N)(C1CCCC1)C12CC(CC(C)C)(C1)C2	2321583807	IHEWOMIWCPSFJR-OFLPRAFFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)CCc1cccc(C)c1	2328268985	MPSHRXPGXMFDBB-HNNXBMFYSA-N	246.394	4.713	0	10	BJAE	
CCc1cccc2cc(C3CCCCC3)[nH]c12	1517338	YJQYCQJGHHQXRX-UHFFFAOYSA-N	227.351	4.778	0	10	BJAE	
CC(C)(C)c1ccc(-c2ccc(C=O)s2)cc1	16947834	DDEVJQDGKYYOKK-UHFFFAOYSA-N	244.359	4.525	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCC)c1ccc(C)cc1	35540990	XJLPKLSPGXPMHV-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CC[C@H](C)c1ccc(-c2ccc(N)cc2C)cc1	38069242	FOEDWQOQYWNOMQ-LBPRGKRZSA-N	239.362	4.758	0	10	BJAE	
C[C@@H](c1ccc(Br)cc1)C(C)(C)C	60297288	FAMUCSCOXZLPQX-VIFPVBQESA-N	241.172	4.599	0	10	BJAE	
CCCCCCC(=O)c1ccc(F)cc1Cl	61845597	XOAPBCDFLBTXHX-UHFFFAOYSA-N	242.721	4.632	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc3[nH]ccc3c2)C1	71106778	PRNKCOGFAFYPJG-JSGCOSHPSA-N	242.366	4.549	0	10	BJAE	
CCc1ccccc1N[C@H]1CCC[C@@H](C2CC2)C1	81624235	UWBBHTGFTYYDOH-CVEARBPZSA-N	243.394	4.630	0	10	BJAE	
CCCCCCc1ccccc1C(F)(F)F	82017629	UDBCCINYDYQYKQ-UHFFFAOYSA-N	230.273	4.828	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2CCc3ccccc3N2)C1	86317645	DBVQPAAKLDAEKU-FMKPAKJESA-N	243.394	4.630	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1CC[C@H](CC)C1	88017148	AHCJJURSRIDMRC-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CNC(C)C)c1ccccc1	88098495	QLHRFABNFZERST-WBVHZDCISA-N	247.426	4.595	0	10	BJAE	
CCCCC[C@H](CNC(C)C)c1cccc(C)c1	93126949	GAHAFHFXRAOAKK-QGZVFWFLSA-N	247.426	4.657	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)C2(C)CCCC2)cc1	94906693	DTNPMEMDRRIKOA-XJKSGUPXSA-N	246.394	4.814	0	10	BJAE	
CC(C)c1ccc(C(=O)C2CCCCCC2)cc1	110173890	PBYTZIKABLWEIA-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)C1=CCCCC1	111649410	QVUCKMWWUXFENY-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CCC([C@@H](N)CCCC)CC1	124675342	LVAIFMZDPOJJET-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)CC(C)(C)NCCC1CCCCC1	125059608	PNESWUSENDPHSM-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@H](CCC(C)(C)C)C1CCCC1	128240019	ABOPTRYJYXETRP-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCc1ccc(-c2cc(Cl)ccc2O)cc1	156717207	LJDPNRXXDYIXRX-UHFFFAOYSA-N	246.737	4.665	0	10	BJAE	
CC1([C@@H](O)c2ccccc2C2CCC2)CCCC1	160022553	BFMKGNQTFLOPLS-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CC(C)CCCNc1cc(Cl)cc(Cl)c1	165178522	TXHFEGHOFMBRKM-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
CCN[C@H](c1cccc(CC(C)C)c1)C(C)(C)C	165745435	XZGQHUWDMJZKCW-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
O=Cc1sc2c(ccc3ccccc32)c1Cl	169557449	GITNCXDFPSMGRG-UHFFFAOYSA-N	246.718	4.520	0	10	BJAE	
CSc1cccc2c1Sc1ccccc1N2	205371491	TWESVZQNGCSXIC-UHFFFAOYSA-N	245.372	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCC[C@@H](C)[C@@H]1C	221691032	SNMXORDIHOSSAO-QKPAOTATSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCCCC1(C)C	224965692	MYBGFKFJSNCOMK-ZDUSSCGKSA-N	235.346	4.515	0	10	BJAE	
CCCCCCN[C@@H](CCC)CCCC	225977125	MAOPUAQEXJVXEF-AWEZNQCLSA-N	213.409	4.515	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@@H]1CC[C@@H](C)[C@@H](C)C1	229426359	CUWYCDDPXPDVDG-CLWVCHIJSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCNc1ccc2c(c1)Cc1ccccc1-2	232650755	LZFRDGWWBVRESW-UHFFFAOYSA-N	249.357	4.636	0	10	BJAE	
CC[C@@H](C)c1ccc(C2(CC#N)CC2)cc1Cl	260788883	ZXJFWQVALBNUCF-LLVKDONJSA-N	247.769	4.799	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@@H](C)CC(C)C	300901592	KYLSUEJVRGUZAR-NSHDSACASA-N	239.790	4.743	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@H](C)CC(C)C)C1	302375121	PACOWIJFCDMUPL-OAGGEKHMSA-N	239.447	4.604	0	10	BJAE	
Fc1c(C(F)F)ccc2cc(Cl)sc12	307552811	DFXXKETVXZMSAQ-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCCc1cccc([C@@H](N)[C@@H](CC)CC(C)C)c1	308066009	MLJFKEKSPLZPLL-RDJZCZTQSA-N	247.426	4.711	0	10	BJAE	
CC[C@@H](Nc1ccsc1)c1cccc(C)c1	309204891	MESVLJVTPRNCLH-CQSZACIVSA-N	231.364	4.620	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)C1(C)CCCCC1	310299272	TZYOQMQHJSDYJB-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](Oc2ccc(C)c(C)c2)C1	310324710	YMLHOBAGKTUYBJ-GJZGRUSLSA-N	232.367	4.651	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C(C)(C)C(C)(C)C	310591215	ZKRRLEIVHXVEKA-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)c1cc(C)ccc1C	311184046	BHRXPAVTUWKMIE-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCC[C@H](Nc1ccccc1CC)C1CCC1	322484061	VCOATVJPYBVSRO-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
C[C@H](N[C@H]1CC2CCC1CC2)C1CCCCCC1	381978329	ANOHRCVOWKVJHY-DXCHVLGVSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)c1cc(C)cs1	383182170	KHJBGPCPNYUYOT-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H]2CCC[C@H](C)C2)c1	383694606	RFNRLSKAWBUWAT-SWLSCSKDSA-N	232.367	4.509	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)CCC1CCCCC1	384801139	YAIVNSBFJJZGAW-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC1=CCCCC1)NC	385809985	QBRAVNDLGMRNSM-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H](C)C2CCCCC2)c1	386221820	OLUSNZJGADVZAB-OAHLLOKOSA-N	245.410	4.932	0	10	BJAE	
CCCCCC[C@@H](CC1(C)CCCC1)NC	390463787	DSFLRJGYRJLPHP-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCN[C@H](c1ccc2sccc2c1)[C@H](C)CC	395330817	RDBWDQJRCBTVQE-ABAIWWIYSA-N	247.407	4.598	0	10	BJAE	
CCc1csc2cc(S)c(C(F)F)cc12	396239089	KDDMVOCYSMFRBW-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCOc1cc2c(C(F)F)ccc(C)c2s1	396243423	NIONYMONNXQVRO-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCCC1(CNC2(CC)CCCCC2)CCC1	687272471	XSWIZORKNLWSNL-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC(C)CCCCCCNCC1(C(C)C)CC1	687533324	NIULOOHLXWJXQL-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C)CC1CCCC1	689832579	SGRATMSOBPSKLW-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCCCC[C@H]1C	691097839	BZNFPQIUNIRXHK-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@H](C)CC(C)C	691183689	GRUYVZMHPSHUDG-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)C1CC(C)C1	691950996	HASBMOHKGZTCBI-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
O=C(CC1CC=CC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	692094696	NLUTYHKFVUMXJM-ARFHVFGLSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@]12CCCC[C@H]1C2	693197399	KIQMJRYZVJDTOF-GUYCJALGSA-N	242.362	4.573	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@@H]2C2CC2)c(C)c1	696103577	IBNVXQKECCZRLT-WBVHZDCISA-N	243.394	4.684	0	10	BJAE	
CCCN[C@H]([C@H](C)C(C)(C)C)C(C)(CC)CC	701189959	ATWYWEYDOYALMD-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H]1[C@H]2CCCCC[C@@H]2C12CCCCCC2	701855460	CJJODEIUCQYKHE-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C1CCC(CC)CC1)C(C)(C)C	704913266	KFUZTJIYFDPGES-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H](C)CC(C)(C)C	709213764	RTHCOVSWDMCAKG-OLZOCXBDSA-N	226.404	4.844	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H](C)C(C)(C)C)CC1	711218665	MCSPSTIAHTYKPF-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O	713219722	XKEGZOHCRMPLNX-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C/CCC(C)(C)[C@@H]1CC[C@H](C)CC1=O	713632190	HZZJXTXRFIXMAX-HYLRALAJSA-N	234.383	4.540	0	10	BJAE	
C=C/C=C/CCNCC1CC(C)(C)CC(C)(C)C1	713736116	TVEVXHFMNIDCQW-BQYQJAHWSA-N	249.442	4.561	0	10	BJAE	
CCN[C@@H](C1CC2(CCC2)C1)C1(CC)CCCC1	717567066	YGMNOTPMMFYVOE-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC)CCC=CCCC1	719055934	IZXOUMAZQXMASE-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCNC[C@@]1(CC2CCCC2)CCC=CCCC1	719089985	PFFGCOLJDYEVDR-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1coc2ccccc12	719176370	QYZVCDGTNKYSNA-UHFFFAOYSA-N	242.318	4.752	0	10	BJAE	
CSc1ccc(N[C@@H]2CCCC3(CC3)C2)cc1	723602518	ICHGHUIPNQRJCN-CYBMUJFWSA-N	247.407	4.543	0	10	BJAE	
C[C@H](CC1CCCC1)Nc1cccc2cc[nH]c12	1205492334	ICWJMLZTDMINMO-GFCCVEGCSA-N	242.366	4.549	0	10	BJAE	
CC(C)[C@H](C)SC[C@H]1CCCC[C@@H]1C	1613581174	CEEXAHLVSIJIGA-RWMBFGLXSA-N	214.418	4.590	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C[C@H]2C2CCCCC2)C1	1620819825	CHBMMYFEBRXJGQ-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)c1ccccc1NC1CCCC1	1776010136	GHWKCXGLFNFKCL-GFCCVEGCSA-N	217.356	4.555	0	10	BJAE	
C1CCC2(CC1)CCCC[C@H]2NCCC1CCC1	1875421118	YABRPHBZYVJSAY-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
C/C=C/CCCc1cc(C)cc(Cl)c1	1885375253	AIGBKFMJZFTRCO-ONEGZZNKSA-N	208.732	4.547	0	10	BJAE	
CCCC(CCC)[C@H](CC=C(C)CC)NC	1900844441	DQLZWLLSZCRWBX-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@H]1CCCC12CCC2	1921613501	PFEWTFCJCMSLPY-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC1(CNC2C[C@H]3CCC[C@H](C2)C3)CCCC1	1923480994	TXWQEOYNTVEVPK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CNC[C@]1(C[C@H]2C=CCCCC2)CCC[C@@H](C)C1	1925803061	PRFDUPCFVIVDLA-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@@H](C)NCC[C@H](C)CCC	1937266509	JGCDOYYSMUZKCB-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCc1ccsc1C(=O)[C@H](C)CC(C)(C)C	1938201151	HJHDSUZNFCSJNT-SNVBAGLBSA-N	238.396	4.566	0	10	BJAE	
CC(C)(CNc1ccsc1)C1CCCCC1	1938421108	NUJAXXVOVLALLL-UHFFFAOYSA-N	237.412	4.767	0	10	BJAE	
CC1(C[C@@H](O)CC[C@@H]2CC2(C)C)CCCCC1	1940856136	LZHPSQMSRWTFPP-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H](CC(C)C)C(C)C	1941264291	QTJPHNFPSNLSDK-CABCVRRESA-N	241.463	4.848	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H](CC)C(C)C	1941264928	UHGNKSDHCJXUSN-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@H](C)C1CCC1)C(C)C	1941273633	UDFGVNDDWMKDJC-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)CC1CCCC1	1941583824	JEIAOOUMQANGMU-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2CCC=CCC2)C1	1941792888	KKERIKFLZQIARZ-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)c1sccc1C1CC1	1942497611	ODCBMHPUGZSBHG-LBPRGKRZSA-N	248.391	4.635	0	10	BJAE	
CCSc1cccc(NC[C@H]2CCC[C@@H]2C)c1	1944842312	IXWPGMFQKZJOHN-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CCC[C@H]1C)NCC	1944847828	YYUXPPIWJNVSTI-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2C=CCCC2)CC1	1947551473	GFWAULOAUYVZOH-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)c1ccc(C[C@H]2C=CCCC2)cc1	1947552312	NLRGBDOEUHXYAH-AWEZNQCLSA-N	228.379	4.883	0	10	BJAE	
C[C@H](C[C@H](N)C[C@@H]1C=CCCC1)CC(C)(C)C	1947585928	FUFBHHBENRALGF-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)[C@H](C)CC(C)C)c1	1948325082	DYDUPAIRSFGQIR-HUUCEWRRSA-N	233.399	4.786	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@@H]1CCC(C)(C)C1	1949420303	FGBAUBDSSMRPCT-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(CC1CC1)C[C@@H](C)C1CCCCC1	1950111124	LOLMXPSCBOXWTG-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)c1nc([C@H](C)CC)cs1	1960043436	DIFONTUAMJRGIH-GHMZBOCLSA-N	225.401	4.950	0	10	BJAE	
CCCC[C@H](CC)NC1CCC(C)(CC)CC1	1963228433	GRINYUFLJHDZDC-FHERZECASA-N	239.447	4.904	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1NC1CCC2(CCC2)CC1	1965942460	YGTCLMTTZINWHY-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CCN[C@H]2CC[C@H]3CC[C@H]2C3)CC1	1966378647	HRCGLVFDPKLTPW-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(N[C@H]2CC[C@H]3CC[C@H]2C3)cc1	1968408165	NYJZPGVATDWJJR-VYDXJSESSA-N	243.394	4.630	0	10	BJAE	
CC1(CCCN2CCC[C@H]2C2CCCCC2)CC1	1968698091	GDPOCBHJLIBKMQ-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
Cc1cccc(F)c1NCC1CCC2(CC1)CC2	1969467899	LTBPGTSHPUGTIY-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]2CCCCC[C@@H]2C1)C1(C)CCC1	1973615526	WDUBMCRYTVYSJR-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)C(CC)(CC)CC	1978562931	JWONZYPFKIRBSJ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCC(=O)[C@H]1C	1982806949	ASJUPTAVLUQMQN-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCCCCCC1=O	1984589643	RWOQGWHMOUZXIL-BAABZTOOSA-N	222.372	4.662	0	10	BJAE	
CC(C)CCCCCC(=O)CC[C@H]1C[C@H]1C	1989510671	RFOMFEBTHPXMGE-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1C[C@@H]1CC	1995213958	IDBMEDGFCHJUQG-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@](C)(O)C1(C)CCCCC1	1995986068	MMYVZWBSCKCURZ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@@H](CCC1=CCCCC1)NC	1996602884	MDLMNRYQDCZCIE-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@@H]1CCC[C@@H](C)C1	1996618827	XSXTYNGFIILFEZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@@]1(C)CC=CCC1)CC(C)(C)C	1997610131	CETQZRBKRSKOBL-CJNGLKHVSA-N	236.399	4.764	0	10	BJAE	
CC1(C)CC([C@@](C)(O)CC2(C)CCCCC2)C1	1998657032	GEQKKOGVBGYIMI-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@H]1CCCC(C)(C)C1	2000143864	REDJYOCJPSSVBS-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@H]1CCCC(C)(C)C1	2000176334	NGZLBNYQEFHNQZ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C[C@H]1CCC12CCC2	2001859835	NGMPYAHIECNJJY-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002202020	IHFHLTXTNVYAJZ-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)[C@@H]1CCCC(C)(C)C1	2002974744	SPRHGMFHZBMXJQ-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C1(O)CCCCCCCC1	2003117444	CDTAFINDZVRMKM-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H]1CCCCCCC[C@H]1CCC(C)C	2003120066	XVNQCUBMAYHYOI-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC)C[C@H]1CCCC2(CC2)C1	2003213048	BLHPJVJFVVIFDX-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC1(CC)CCC(N)(CCC=C(C)C)CC1	2004346821	NZEJQTVOABRANH-UHFFFAOYSA-N	237.431	4.811	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCCC(C)C)[C@@H]1CC	2009248309	HOAJLULCMXKUPE-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](CCC2(C)CC2)c2ccccc2N1	2009549244	SPYKPXKBXXPHJD-QWHCGFSZSA-N	229.367	4.555	0	10	BJAE	
CC=CCCC[C@H](N)c1csc2ccccc12	2009570608	AVUTZKDYGXTIBX-AWEZNQCLSA-N	245.391	4.648	0	10	BJAE	
CCC(CC)[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2010728130	CIZUHXPHSIEWPJ-GJZGRUSLSA-N	237.431	4.523	0	10	BJAE	
CC=CCCC[C@@](CC)(CNCCC)C(C)C	2012406749	ABWSHIAWCFRAJT-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)c1ccccc1	2013263325	GTJPVXIOCHBXEU-GDBMZVCRSA-N	233.399	4.552	0	10	BJAE	
CCC(CC)[C@@H](N)c1sc2ccccc2c1C	2014293924	VXSHGPLLCIYHGF-CQSZACIVSA-N	247.407	4.646	0	10	BJAE	
CC1([C@](C)(N)C2=CCCCCCC2)CCCC1	2014325170	JZEQQAVPZHJPDO-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)C1(C)CCCC1	2014326912	SYPJVIRATQEXSF-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
C[C@H](N[C@H]1CCCCC1(C)C)C1(C)CCCC1	2014341266	XUXAQHMYZFVVFJ-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@](C)(O)CC1C[C@@H]2CC[C@H]2C1	2015228923	CDROFVVFOAGFHE-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C[C@@H](O)C[C@H](C)C(C)(C)C)C(C)C	2015271462	ACMHIGRTACKKCX-KBPBESRZSA-N	242.447	4.738	0	10	BJAE	
Cc1cc(NC[C@H]2CC23CCC3)cc(C)c1Cl	2015536353	BOZDHOYNEPVCPJ-GFCCVEGCSA-N	249.785	4.559	0	10	BJAE	
CCCC1(CC(=O)CC(C)(C)C2CC2)CCC1	2015591842	HQJNVVGYJYCRDD-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1(C(C)(C)C)CCC1	2017150668	PDNISNHVVOCNLZ-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCCC[C@@H]2N)CC1	2017729195	UFVNITQLMFHLLA-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](C)CCNC(C)C)CC1	2017736875	INZQYURBZFLQBZ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@H]1CC[C@H](C)CC1	2017764207	DUXHVKBPWUVVST-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2018132214	XRSBGPYOCIDRCU-QKPAOTATSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1CC[C@H]2C[C@H]2C1	2018134053	KPZRWVLSWJLLHN-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1CCCCC1)CC1(CC)CC1	2018991394	KBXVNUGLSMBAEM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCCCN(C)C[C@@H]1CCC[C@@H]1C(C)C	2019285554	MKQAXRCLJDWDEL-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
CC(C)C[C@H](C)N(C)C1CCCCCCCC1	2019297206	IJLREFRLWCADPV-HNNXBMFYSA-N	239.447	4.856	0	10	BJAE	
CCN(CCCC(C)(C)C)[C@@H]1CCCC1(C)C	2022048494	AHMPJRBMAZZZMY-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCCCCC[C@H](C[C@H]1C[C@@H]1C(C)C)NCC	2022487010	ZONGHSOCVZXJRN-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H]3CCCC[C@@H]32)cs1	2022990231	DYGZLSPMSOHPKD-VHDGCEQUSA-N	249.423	4.827	0	10	BJAE	
CC(C)CCC[C@]1(O)CCC[C@@H]2CCCC[C@H]21	2022992319	JUPBXNUYGNSJCF-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CN[C@H]1[C@@H](CCCCCC(C)C)CCC[C@H]1C	2023999809	VAXNOTYHJSSHQM-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H]1CCCNC12CCCCC2	2024621684	AQBVLLAXIZDXJE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1ccc(C)cc1	2026081714	MATQOFNWQYMTDR-ZDUSSCGKSA-N	232.367	4.784	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1cccc(C)c1	2026082143	ODBCKCAHJHGMQI-CYBMUJFWSA-N	232.367	4.784	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](NC)c1ccccc1C(C)C	2027518333	QAVORKZAUNLKSE-CKEIUWERSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(F)c2cccc(N)c2)C1	2027939228	HUWSQERHTWPBCG-DVOMOZLQSA-N	249.373	4.670	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1ccccc1C1CC1	2028559380	GEGZDQFTNQQSSC-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CC(C)c1ccc([C@H](O)C2(C)CC(C)(C)C2)cc1	2029107113	YUWOIZUDXSCPKA-HNNXBMFYSA-N	246.394	4.670	0	10	BJAE	
CCCC1CCC(N)(CC2[C@@H]3CCCC[C@@H]23)CC1	2032815594	IOAOWOJVROGQMA-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNC(C)(C)C2CCCC2)C1	2033145935	ZZLWYHBWLIXFTQ-HIFRSBDPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CC(C3CCCC3)C2)C1	2033766886	JQSSFKWVQARLIU-CRYBEJKASA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@@H]1NCCC1=CCCCC1	2035409281	LTVALFUMRZQLOP-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc([C@](N)(CC)C(C)(CC)CC)cc1	2037217024	WRWKFWCIXJYGSY-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)[C@H]1CCC2(CCCC2)C1	2037595177	VBPZBLMHSRQDSQ-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](C1CCC(N)CC1)[C@@H]1CCC2(CCCC2)C1	2037692165	DIXMDABLHVETIZ-JWMHWRSXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC[C@H](C)C1)c1ccccc1	2037700277	FOLMYGVQTBTTMP-YQQAZPJKSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H](CNC1CC1)[C@@H]1CCC2(CCCC2)C1	2037706472	XVJKAHRBQBGMOB-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@H]1CCC2(CC2)C1	2038566491	CTLNLEUYKFFWPM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CC2CC3(CCC3)C2)CC1	2039373513	HZXXDWTVMNHNPY-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1C(=O)[C@H]1CCC[C@@H](C)CC1	2039376658	SGJCMUUXTCCSQB-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCCC3(CCC3)C2)[C@H]1C	2041291217	XLALFVNIOJAMGY-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCC(C)(C)C1CC1)[C@@]1(C)CC=CCC1	2042023035	XXUNJFAZNXUSBS-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCCCCc1ccc(NCC2CC(F)C2)cc1	2042329911	BAACKUZLXFEEAU-UHFFFAOYSA-N	249.373	4.579	0	10	BJAE	
CC1CC([C@H](C)N[C@H]2CCCCC23CCCC3)C1	2043547320	PCJJRMCBBRISNJ-GRAKBVBRSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CC[C@@H]3CCCC[C@H]32)C1	2045386020	UTFNMCCSNQNIRK-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](c1ccoc1)C1(C)CCCCCC1	2045818720	QBVNLHKHYSSKHV-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
CC1(C)CCC(C[C@]2(CN)CCC23CCC3)CC1	2047938308	FPAUBJABNZPUGR-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H]2CC23CCCC3)CC1	2049414520	IHFJQRQPIPBYHD-SLTXQBBLSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@@]12C=C[C@@H](CC1)C2	2050009517	YRWFDKDSKJZYJP-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1(C)CCC1	2052351901	KECONEIQGOGYQO-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
c1cc(N[C@H]2CCCCC23CC3)cc(C2CC2)c1	2053330718	DSNICCLYLYLBNJ-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@H]2CCCCC23CC3)C1	2053434122	OGCWYZPFVALPMB-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]1C[C@H](C[C@H]2CC=CCC2)C[C@@H](C)C1	2055016319	MBKZWVCXVQVLMO-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](C[C@@H](C)C2CCCCC2)CC1	2055527498	QBFXSNVAOYJVKQ-COXVUDFISA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)[C@@](O)(C[C@H]2CCCC3(CC3)C2)CCC1	2055605192	XGQQEXMFCJJQOI-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)C=C2CCCCC2)CCCCCCC1	2056878932	OOGJULPUXVYZIS-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
O=C(CC1CCC=CCC1)C[C@@H]1CCC[C@@H]2C[C@H]12	2057354110	NPDFXRRHXJEFSG-ZMSDIMECSA-N	246.394	4.518	0	10	BJAE	
CCCCCc1ccc(NCC2(F)CCC2)cc1	2057657851	VFMBQYMAJTXZNI-UHFFFAOYSA-N	249.373	4.723	0	10	BJAE	
CCC1(CC)CC(N)([C@@H]2CCC3(CCCC3)C2)C1	2058832551	AXFSRUANRUZTOE-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2059266271	DUDBEYXDWAAXTQ-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC=C(C2(O)CCC3(CCCC3)CC2)CC1	2060918544	OIFLZYMSIXIKOA-AWEZNQCLSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC=C([C@H](CC2CCCCC2)NC)CC1	2061081314	NQXGCNUZDOWDDK-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC)CCC1CC(=C2CCC2)C1	2061739452	NPOYSARZCGFOFG-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)[C@]1(C)CC=CCC1	2062640379	CHCAOCZHIWTOIK-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)[C@@H]1CCCCC12CCC2	2062647888	WTMDNUYBWWSHMV-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NCCC=CCC1C[C@H]2CCC[C@@H]2C1	2063488717	CSFLPIQUIOZJFL-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)C2CC3(CC3)C2)CC1	2064497317	JBTDYYTUDHDSEV-SQWLQELKSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](NCC12CCC(CC1)CC2)C1CCC1	2065267897	OOFKVXVGPGBOIV-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H](C)C1(C)CCCC1)C12CCC(CC1)C2	2067509636	SBVNYMJIUUHAOI-JFBXJRRNSA-N	249.442	4.514	0	10	BJAE	
NC1(C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCCCC1	2068772549	QOCJPALMESDSKI-PHZGNYQRSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C1(CC2CCC2)CC1	2069563393	GAZHIBJJTCJFIP-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C1CCCCC1)n1ccc(C2CCCC2)n1	2070168682	HKCWFEIPCIGYDR-ZDUSSCGKSA-N	246.398	4.682	0	10	BJAE	
CC[C@H](N[C@H](C)CCC=C(C)C)c1ccccc1	2070397552	IHSLFRBNFRNBRU-WBVHZDCISA-N	245.410	4.862	0	10	BJAE	
C[C@H](NCC(C)(C)C1CCCCC1)C1CC=CC1	2070809517	AVAMRJVBCYPZOP-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@H](C)C1CC=CC1	2070809686	CDJDWMZSDMEYLI-HYVNUMGLSA-N	249.442	4.536	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C[C@@]23CCC[C@H]2C3)CC1	2070926321	MFLBZINIWWXHGL-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CCC(N)(C[C@@]23CCC[C@H]2C3)CC1	2070966413	HWLAJSAGXHXJBM-BYLPVYNFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CC2(C(C)C)CCC2)c1	2071951022	WKVPILVOXROSMM-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CCCCC[C@](O)(CC)Cc1ccccc1CC	2073346220	LOIDJTNXFWHJLT-QGZVFWFLSA-N	248.410	4.513	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(COC)cc1	2073348435	YBXNZECVEMKVRP-OAHLLOKOSA-N	249.398	4.604	0	10	BJAE	
CCc1ccc(N(C)[C@H]2CCC[C@H](CC)C2)cc1	2074892619	OOPNEPCNCLCCGV-RDJZCZTQSA-N	245.410	4.654	0	10	BJAE	
CN(CCC1=CCCCC1)CC1(C)CC(C)(C)C1	2075146954	SMVRMZXXUXJXCO-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1C[C@@H]1C1CCC1	2079304340	UDJFANZHNIYJHT-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC=C[C@H](NCCC)[C@H]1C[C@@H]1C1CCCCCC1	2079434471	HLPRIICHVUZJAF-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1C[C@H]1C1CCCCC1	2079488776	VTTSQBSZIJWFSY-JKSUJKDBSA-N	248.410	4.908	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)C1CCC2(CC1)CC2	2079844871	WWIONNMHUXJTHP-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)C[C@H]1C[C@H]1C1CCCCC1	2079861734	GAHAGMQEZSGOBI-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCC)C1=C[C@H]2CC[C@H]1C2	2081677484	MSGKGCGGHQZQQL-QSJFSLAZSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c2[nH]c([C@]34CCCC[C@H]3C4)cc2c1	2083310296	XKVSAWMYUUSEOX-YOEHRIQHSA-N	239.362	4.616	0	10	BJAE	
C1=C[C@H](CCC2C[C@@H]3COC[C@H](C2)C3)CCCC1	2085906482	SDVOAMALOUPYKX-XYTVBORESA-N	248.410	4.576	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)C1(C)CCC1	2213575950	LEUKRCIQVHKZGK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C(=O)CCCCCCC1CC1)C(C)(C)C	2213579824	ICRPBJFENOMLFL-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
FC1(F)CCC[C@@H]1CCC=Cc1ccccc1	2213823388	RSXAGVMDGVXWOA-AWEZNQCLSA-N	236.305	4.915	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(CC2CCCC2)C1	2216253289	QPIXVMYDNKENFZ-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](NC1CC(CC2CC2)C1)C1CCCCC1	2218494631	YGGFVXXNQMEEJY-BDVYOWHSSA-N	249.442	4.514	0	10	BJAE	
CC1=CC[C@](C)(NCC(C)(C)C2CCCC2)CC1	2221605284	QVQYZVMFCREXOY-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@]1(C)CC=C(C)CC1	2221630542	JMECNJXAFISJKC-FKQXODTLSA-N	249.442	4.847	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@@H](C(C)(C)C)C1)c1ccoc1	2222269517	SAWRZQFDUMKVBL-CFVMTHIKSA-N	249.398	4.535	0	10	BJAE	
C(CCCC1CC1)CCCC1CC2(CCNC2)C1	2223159915	ORNHWAZPJNWJPP-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC[C@H](C(=O)c1ccc2occc2c1)C(C)C	2224197165	AJUBPVJEDCMABV-AWEZNQCLSA-N	244.334	4.688	0	10	BJAE	
CC1CC(C)(C[C@@](C)(O)C2(C)CCCCC2)C1	2246454869	SDMQSKNLANPZMP-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@H](O)CC[C@H]1CCCCC12CC2	2246626237	IYAPXQUNTYBEMS-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCC[C@@H]1CCC[C@@H](C)C1	2246687063	LRFGTTHPBUEDBZ-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](O)C1CCCCCC1	2247164639	OLFQRWNEAMHGPA-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)CC1=CCCCC1	2247490146	MVHWTALHIJBFIV-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCN(CC1=CCCCC1)C1CCCCCC1	2247524489	IAYJVXYVPLMKGL-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCC1CCCC1)NCC	2250351224	AYOINRRXXRNIIZ-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCCCC1CC1)NCC	2250353981	ZNCPQFGCGMJMBH-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@H]1CCCC2(CC2)C1	2250380466	HAEASTAWGBZHDS-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1CC(C)(C)CC[C@@H]1C	2250382442	DSKQZYKRYRASFO-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](O)CC1CCC1	2250496636	UBQAFTIOHRYNBA-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@](O)(CC)C[C@]12CCCC[C@H]1CC2	2251217195	FWMJRYDYPJDVNV-ARFHVFGLSA-N	238.415	4.678	0	10	BJAE	
CC1=CCCC[C@]1(N)CC[C@@H]1CCCCC12CC2	2253837748	GTAPKCIMHPKDRR-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNC23CCC(CC2)CC3)C1	2253963258	OVXCAKQMDAHEBK-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)CC1CC2(CCC2)C1	2254567625	AGMIYMHVMWQCGY-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCCC[C@H]2C[C@@H]2C)c1	2254592683	NWRLYAOPBILMLE-YQQAZPJKSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC[C@](CN)(CC2=CCCCC2)CC1	2255138509	WLSICSAWGIANRG-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
CCC1(C[C@H](C[C@@H]2CCCC23CC3)NC)CCC1	2255250687	YRRKKDSTXKSJHM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCCN1CC[C@H]1CCCC12CC2	2255251316	NYTBFAQKJAYEBQ-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C(C)(C)C(C)C	2300882773	XRFZOZSOYCTCJR-HNNXBMFYSA-N	239.447	4.783	0	10	BJAE	
CCN[C@@H](C)CCCC=C(C)CCCC(C)C	2300887839	KPNFJCJFMFDHHN-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CC1CC(C)(C)C1	2300899247	MGRPGHBSDUAKJC-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@H]1CCCCC[C@@H]1CNC(C)(C)C	2300926847	PJLQIWJTCCHCKS-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CC1CCCCCC1	2301243005	YAODRKZWWPRIIZ-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CC[C@](N)(CCCC1=CCCCC1)CC1CC1	2302348679	GCSAJAJPEFLYER-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC1(NC[C@@H]2CCC(C)(C)C2)CCCCC1	2302676984	AAQZMUPVCDBLCZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(-c2nc([C@H]3C[C@H]3C)cs2)c1C	2307693400	KSWOTDIHFDXVCM-MFKMUULPSA-N	243.375	4.550	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)C1CC(C)C1	2307909512	KRNPQIADQCWPLS-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1CCC[C@@H]2C[C@H]12	2309962333	ABQXTXNNEILTHF-BFYDXBDKSA-N	248.410	4.742	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@@H]1CC[C@@H]2C[C@H]12	2310902491	VXBWLDMBNQLWPE-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312959075	ZMTVHAYHQRYVQJ-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
CCc1cc([C@](C)(O)CCC(C)(C)C)ccc1C	2314644002	LSCVUQKDMLHRSX-QGZVFWFLSA-N	248.410	4.591	0	10	BJAE	
CCC(C)=CC[C@@H](C[C@H](C)c1ccccc1)NC	2316510404	UTPJFLDJXXQYGG-RDJZCZTQSA-N	245.410	4.515	0	10	BJAE	
CCCN[C@H]1C[C@H]2CC[C@@H](C2)[C@H]1CC=C(C)CC	2316531635	HQEHPFSFYKJHJL-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1CCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316739373	QPNPEGUDCPMCHP-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C1=CCCCCC1	2318882494	ZIBUNZSHPYWWAH-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@@H](CC2(N)C3CCCC2CCC3)C1	2319034719	PLSHMGHFIPGQAM-HOUHCIJLSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)[C@H]2CCC[C@@H](C)C2)CC1	2320240485	MKPLJLYPIUWLPQ-VDNDLQMASA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@](N)(CC2C[C@@H](C)C[C@H](C)C2)CC1	2320393737	ITZHOLBVKYTMDV-DCGLDWPTSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](CC)CC1(CNC2CC2)CC2(CC2)C1	2328200904	CNIQZZMNUXBGGG-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cccc(C(F)(F)F)c1	19232661	FEBKFBZRSABTKQ-ZJUUUORDSA-N	245.288	4.552	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc2c(c1)CCC2	19994286	YQPWYDLHVGNMQS-CJNGLKHVSA-N	245.410	4.802	0	10	BJAE	
CCCCCC[C@@H](C)Nc1c(F)cccc1F	20520427	LOKBZTXWVAOFLD-LLVKDONJSA-N	241.325	4.736	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)CC(C)(C)C)cc1	21055328	QNWJQWKHWFGWPH-WFASDCNBSA-N	233.399	4.636	0	10	BJAE	
CCCCc1ccc(N[C@@H](C)[C@@H](C)CC)cc1	21796854	AHMDBUMSYPBZBH-KBPBESRZSA-N	233.399	4.876	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](CC(C)(C)C)NC)cc1	35469150	CMAATUGSVKFENY-CJNGLKHVSA-N	247.426	4.897	0	10	BJAE	
CCC[C@@H](C)CN[C@@H](C)c1cc2ccccc2o1	37070829	BIKVPBSXZFXNQV-OLZOCXBDSA-N	245.366	4.520	0	10	BJAE	
CC(C)[C@@H](C)N[C@@H](CC(C)(C)C)c1ccccc1	37128561	YBLNEWKNJFAUMU-ZBFHGGJFSA-N	247.426	4.798	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(O)C1CCCCC1	37375841	WCECNQGRKDDDOY-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)C[C@@H](C)CC	83863986	UDVSQMRSKAUWOL-SOUVJXGZSA-N	227.436	4.760	0	10	BJAE	
CCCc1ccccc1N[C@@H]1C[C@@H](C)CC[C@@H]1C	85097358	LNAWMSLLIDSRKV-GRDNDAEWSA-N	245.410	4.876	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2CCCCC2)s1	88047261	XDERKZKBWQEKMO-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@@H](C)CC)NCC	126217723	KQQNZFYMLTWQCV-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCCc1cccc([C@H](N)C[C@@H](C)C(C)(C)C)c1	131590736	QEAXZDWZMVYHMR-CZUORRHYSA-N	247.426	4.711	0	10	BJAE	
CCCCC[C@@H](C)[C@@H](NCCC)c1ccccc1	133469922	CUSCHTANHUZNAY-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
CCCNC[C@@H](CC[C@H](C)CC)c1ccccc1	155724430	QGITZBJMDSBYHN-NVXWUHKLSA-N	247.426	4.596	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)c1c(C)cc(C)cc1C	162080085	ZGKCFOGEBWRSAD-WBMJQRKESA-N	247.426	4.699	0	10	BJAE	
CC(C)(C)NC[C@@H](CC1CCCC1)C(C)(C)C	162401314	HIUJRHZBKFXCQK-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CCC[C@@H](CC)C1	166286310	MDHQJHTULULDJY-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
CC[C@H](C)C[C@@H](N)c1c(C)c(C)c(C)c(C)c1C	167221525	KQQFUPOQXNMVAH-MGPLVRAMSA-N	247.426	4.665	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1(C)CCCC1	167827098	VHZMLDNAXSPRGT-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
Cc1ccc(C)c([C@H](C)C[C@@H]2CCCCC2=O)c1	196683234	JHERADDOHOZHPL-CABCVRRESA-N	244.378	4.556	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@@H]1CCCC1(C)C	226879734	FZEKYXPBNCZDON-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H]1CCC[C@@H](CC)C1	226995831	PEZHPMWOXWIXDD-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC1CCCCC1	229228212	ZIDWWAWDXONSJC-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@@H](C)[C@H]1CNc2ccc(C(C)(C)C)cc21	232678309	ARJSOLSFMVJFRU-IUODEOHRSA-N	245.410	4.785	0	10	BJAE	
CCCCCC[C@H](C)[C@H]1CNc2ccc(F)cc21	232982386	PYINBWNMWBSTGB-SWLSCSKDSA-N	249.373	4.941	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1ccoc1CC	233001198	MTAWECHZPPJFJV-GFCCVEGCSA-N	236.355	4.631	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)C1CCCCCCC1	236308186	SLZBAJAKFCKCKR-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
Clc1ccc2cc(-c3cccs3)[nH]c2c1	238512544	DOHWULKJUCXLSZ-UHFFFAOYSA-N	233.723	4.550	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)(C)C)[C@H](C)CC	253049133	SIOKGOJSTLUHRF-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(O)c(N=Nc2ccc(Cl)cc2)c1	254294692	QHVMKVYYTMSEJP-UHFFFAOYSA-N	246.697	4.769	0	10	BJAE	
CCCC[C@H](CCC1CCCC1)NC(C)C	300722990	CGXNRZGGODIYDG-OAHLLOKOSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc(C)c1F	300998374	XACHGZRODWSDDC-GFCCVEGCSA-N	223.335	4.515	0	10	BJAE	
C1CCC(CC[C@]2(C3CC3)CCCCCN2)CC1	302282404	VCUZPQJUDPQFNL-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)Cc1ccc(C(C)C)cc1	302296234	DJZSXBZOCQUUCU-PBHICJAKSA-N	248.410	4.540	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](CNC(C)(C)C)C(C)(C)C	302559338	LVSKGVVORUHINE-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
Cc1cc(NCCCC(C)C)c(Cl)cc1F	304315316	DSNKUNAXDFMOBP-UHFFFAOYSA-N	243.753	4.636	0	10	BJAE	
CCc1ccc(NC[C@@H]2CCC[C@H](C)C2)cc1C	305947779	CIHSRTLYPAVJKU-DZGCQCFKSA-N	245.410	4.796	0	10	BJAE	
CCCCCC[C@]1(C)[C@@H](CNCCC)C1(C)C	305967160	JIOYNQRQGTUHSY-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCc1ccccc1NCC1(CC)CCC1	310098906	ATWGCTUTOFYLSM-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCC1(CC(=O)c2ccc(C(C)C)cc2)CCC1	310875616	VESRONNMNIWDRT-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
Cc1ccc(C)c([C@H](O)C[C@@H]2CCC[C@@H](C)C2)c1	311163551	ZDOVEBPXVJMNBS-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
CCNCC1(CC2(C)CCC2)CCCCCC1	317065329	IRYUVMGWFGMGAQ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC(CC)[C@]1(CNC(C)C)CC[C@H](CC)C1	317820522	CDDLOQWMNPCWDH-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Oc1cc(C(C)C)ccc1C	319590288	KGFOALUHHOVTOI-TZMCWYRMSA-N	234.383	4.932	0	10	BJAE	
CCC(C)(C)C1CCC(N)([C@@H](C)C(C)C)CC1	319609046	MCFPRDLDNSXKJO-HLIUYOAVSA-N	239.447	4.602	0	10	BJAE	
O=C1CCCCC[C@H]1CC/C=C\c1ccccc1	322933985	NYYXWXLBERSXOT-UBAGTECSSA-N	242.362	4.629	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H](C1CC1)C(C)(C)C	324316118	XJZVXEWGEQXDQV-GXTWGEPZSA-N	239.447	4.616	0	10	BJAE	
CCCC1(CN[C@@H]2CCCCC23CCCC3)CC1	380911436	VXQPXYOZYRFLOD-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCC1(NCc2ccc(C)cc2C)CCCC1	382305729	QQAZQQNDPFAANF-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2(C)CCCC2)CC1	383202712	VNMKYAQVUVHOMB-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
Cc1cccc([C@H](CN)CCCCCC(C)C)c1	383219574	DZDVROKHLCSEBH-KRWDZBQOSA-N	247.426	4.644	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H]1CCCC1(C)C	383295350	RRUNXBXOWGRGHM-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC(C)(C)C(C)(C)C)C1	383730247	ARMDYRQJHLRHCU-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H]2CCCC[C@H]2C)cc1	384492846	MDBDDZTYABPZRD-XYPHTWIQSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@H](C)c1cccc(C2=CCCCC2)c1	385037212	IZPJUASHFAGUJH-CQSZACIVSA-N	243.394	4.705	0	10	BJAE	
CCCCCC[C@H](O)CCC1=CCCCC1	386337114	WKHAZBIFUXGKRZ-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](O)(CC)C2CCCC2)C1	387591017	SPCNJNUGLZGYMT-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C[C@H](Cl)/C=C\c1ccc(Cl)cc1Cl	388582194	BRQLLLWDKRWZQL-XDVGHUOJSA-N	235.541	4.634	0	10	BJAE	
CC(C)CCCCNCCC1CCCCCC1	394589692	WIGSNPNMONSWPL-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](O)(CC)C(C)(C)C	395383803	FCTUGDASKZMWOD-HIFRSBDPSA-N	228.420	4.780	0	10	BJAE	
C[C@@H](C[C@](C)(O)C1CCCC1)C1CCCCC1	395670225	LVIGSONOMRURBC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCc1sc2ccc(C(F)F)cc2c1CC	396164404	ARUKTLZPPVJEBL-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCOc1sc2ccc(C)cc2c1C(F)F	396235173	FOPCPKAWRSNTSO-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1c(C)cc2ccsc2c1C(F)F	396260587	ZELHFLYVUJSDRX-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CC(C)(NCC1CCCCCCC1)C1CCC1	398034424	LYNVBNWOVSIBHU-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@H](C)C1CCC1	398621723	FUVRWNBWUPVCDV-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1CCC(N)(CCC2CCC2)CC1	398936133	SZLHTRFWHWSPPT-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(-c2cccc([C@H](C)O)c2)cc1	404832042	IYRMEZLDRGLTKM-ZDUSSCGKSA-N	240.346	4.530	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@@H](C)C(C)C	688914886	NSEXCVBVSGIXCS-YOEHRIQHSA-N	247.426	4.753	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@@H]1CC2CCC1CC2	691662938	ZUPOUQIFAGADJQ-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(C)CC(CN)(CC2CC=CC2)C1	692043951	SVBUIOQDHJXQLE-UHFFFAOYSA-N	249.442	4.524	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CCCCCC1	696663204	KNVIVLIABXOMEB-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@@H](C(C)C)CCC1=O	696741151	STRGJUFYVSBUNY-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
O=C1[C@H]2CCCCCCCCCC[C@H]2C12CCC2	700930430	XHHRZTGZPQQPRX-LSDHHAIUSA-N	248.410	4.886	0	10	BJAE	
CC(C)(C)NC[C@@]1(C[C@@H]2CC=CCC2)CC1(C)C	702202310	AGKKIIKRKJOQDU-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](N)(C[C@H](C)CC(C)C)[C@@H]1CC1(C)C	704477640	YLJXKFVFUHRMEL-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@@H]([C@@](C)(N)CCC(C)(C)C)CC[C@H]1C	704851173	CTDWNTIQZCYSOC-HOSILWTGSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H](C)CC(C)(C)C)C1	709128724	SZDJJMNXJMYKFT-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C[C@H](CN[C@H](C)C1CCCCC1)CC(C)(C)C	709133120	YUEZOXYLIYKUFL-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](O)c1cscc1Cl	710426294	OTCNGSIQBBIMHN-LBPRGKRZSA-N	246.803	4.651	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](C[C@@H](CC)C(C)(C)C)NC	711176886	FALKJIDEDDVLEL-XQLPTFJDSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1C[C@@H](CCCC2CCC2)c2ccccc2N1	711195551	QWIYOKLNBJHJTQ-DZGCQCFKSA-N	243.394	4.945	0	10	BJAE	
Cc1cccc(N[C@@H]2CC(C)(C)CC[C@@H]2C)c1	713013469	GPTGCQLCXBNVBP-DZGCQCFKSA-N	231.383	4.622	0	10	BJAE	
Cc1cc(C)c([C@H](O)CC(C)(C)C(C)C)c(C)c1	713185093	XIZZLICBTLLCSX-OAHLLOKOSA-N	248.410	4.718	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC(C)(C)CC	713242295	IHYCJEDCDJYHLH-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)C1CCCCCCC1	713745592	LCUIDYJXTVYYQX-OSJSJHBBSA-N	249.442	4.847	0	10	BJAE	
CC1(C)CC(C[C@H](O)CCC2CCCCC2)C1	723579398	CHVSMFZUVCBOCC-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(N[C@H](C2CCCCC2)C2CC2)CC1	723982634	OGFXJQBEROUTSV-QWFMPGPPSA-N	249.442	4.514	0	10	BJAE	
CCc1ccccc1CSC[C@@H](C)CC	1643785069	FPLPYOKMQCNPQL-LBPRGKRZSA-N	222.397	4.528	0	10	BJAE	
CC=CCCc1cc(F)c(Cl)cc1Cl	1893240968	BFOWWCQFBBRXQC-UHFFFAOYSA-N	233.113	4.641	0	10	BJAE	
CCC(CC)CC[C@H](NC)C(C)(CC)CC	1900709587	MDCFKRCONXUGSJ-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CCC(=O)C1(C(C)C)CCC1	1900718741	VZMSQZJJYHKRRL-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1CCC(C)(C)C1	1902294369	QSOWZOCWGOAESJ-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](N)CC[C@@H]1CCC(C)(C)C1	1903409788	RZBPEFIYWDYZFO-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
C=CC=CCC[C@@H](N)C1CCC(C(C)(C)C)CC1	1912136469	JLGMYHBVFUADBP-UYSNPLJNSA-N	249.442	4.689	0	10	BJAE	
CCCCC[C@@H](NCC)C1CC2(CCCC2)C1	1912607378	ROEKLEGWQOUFHN-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@]1(C)C[C@H]1N[C@@H]1CCC2(CCCCC2)C1	1915855460	QQLGTVXFRSHQHP-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1919486548	VKWYEIJGXQRHIB-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@@H](C)C1CCCCC1	1924086711	ORVCQZALAWOBJX-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)CC1CCC=CCC1)C1CCCC1	1924134713	FFKIZJGGPRASDP-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
C1=C[C@@H](Cc2cc3ccccc3o2)CCCC1	1925833083	IJWKOPYNCMSOGJ-CYBMUJFWSA-N	226.319	4.722	0	10	BJAE	
CCCCCC[C@]1(CN)CCC[C@H](C)CC1	1939903586	OLISBOOKIDLTHR-GJZGRUSLSA-N	225.420	4.502	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CC1(C)C)CC(CC)CC	1940855626	HYSJLENLHNPULO-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@](O)(CCCC1CCC1)CC1CCCCC1	1941469481	DLWTZYHTPZKIGY-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CCCCCC1CC1	1941575757	PGGPCFVVDOOWSZ-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)C[C@@H](C)CC(C)(C)C	1942653715	SXCDFMOUEQHCBP-QLFBSQMISA-N	241.463	4.848	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CCC(C)C)C1CC1	1942663728	UWTFEBCCOIMAES-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC(N)(CCC)CC1C[C@H](C)C[C@@H](C)C1	1944206246	XDIOWCJRPUBUKL-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C(=O)CC1=CCCC1)C1CCCCC1	1944640859	NPHTXANNAQCWHA-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@H]1CCC[C@H]1C	1944846901	STNKMBKOENKCKZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](O)CCC2CCCCC2)C1	1945580984	BVWVTZNGQWROGK-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@@H]1CCC(C)(C)C1	1945581321	FEYPMFFEPSPUPW-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@@H]1CCC(C)(C)C1	1945601828	XTCNPXBHGMOYBC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1cccc2sccc12	1945969568	GOCPJCORLGVZKK-NHYWBVRUSA-N	248.391	4.617	0	10	BJAE	
Cc1cc([C@H](N)C2=CCCCCCC2)c(C)s1	1948951394	CLXIUCFNLKCCFM-OAHLLOKOSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)C=CCCC1(C)C	1949679879	POSFEPYCUTUHIF-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
Cc1cc(SC[C@H]2C=CCCCC2)ccc1O	1949783262	MFUIIMZBQJPWCU-ZDUSSCGKSA-N	248.391	4.539	0	10	BJAE	
CCC(C)(C)CCC1(CO)CCC(C)(C)CC1	1950908685	PQMNOBCSUXLBLI-UHFFFAOYSA-N	240.431	4.782	0	10	BJAE	
CC1(C)CCC[C@](CO)(CC2CCCC2)CC1	1950912609	ZDLPWHUICSNLSS-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H]1CCCC(C)(C)CC1	1950914865	UJSZMFQPGZVXLU-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CC[C@H](CN[C@@H]2CCCCC23CCC3)C1	1967718129	YGCUDVIOAFRPSE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCCN1C[C@@H]1CCCC2(CC2)C1	1973162944	XUPVCRNTPSGNOT-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCC(C)(C)CNCc1ccccc1C(C)C	1973163412	DJCSYIRCRZHKBU-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H](C)C1CC2(CCC2)C1	1974006221	ZQKMWTQQBHYCLB-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)C(=O)[C@H]1CCCC[C@@H]1CC	1976007170	DXYQTXZXAMXMNP-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC(CC)(CC)C(=O)CC[C@H]1CC1(C)C	1978450917	ZGZNIDRXXHRSOW-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CC(=O)c1cccs1	1980686730	GNBQANKCELQYCQ-NWDGAFQWSA-N	236.380	4.537	0	10	BJAE	
Cc1c(C2CC=CC2)ccc2ccccc12	1981969134	GNWGSGZWBGTEJQ-UHFFFAOYSA-N	208.304	4.582	0	10	BJAE	
CCCCCc1ccc([C@H](C)NCCC)s1	1991779315	ZWNJITJAIPLGDW-LBPRGKRZSA-N	239.428	4.541	0	10	BJAE	
CC(C)(C)CC(C)(C)N[C@H]1C=CCCCCC1	1995679978	JCSOMVYNVHMXIJ-AWEZNQCLSA-N	237.431	4.680	0	10	BJAE	
CC1(C)C[C@H]1CC[C@](C)(N)C1(C)CCCCC1	1995988818	QNBIEKFJYBBXTL-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC(=O)CC[C@H](C)C(F)F)C(C)(C)C	1996093318	DHXUJQOGAHOANA-WDEREUQCSA-N	248.357	4.699	0	10	BJAE	
CCC[C@](O)(C[C@H]1CC[C@@H](C)C1)C1CCCC1	1996269551	LLIYJGLDXMQBJQ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
Cc1csc(CNc2cccc(C3CC3)c2)c1	1996655618	XQMPGRLQESZLLJ-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CCCC2(CCC2)C1	1997038669	DLFAXCFOQZYSIC-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)CC(C)(C)CC)CC1	1997208659	QBAFHXGRRDUTLK-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CC[C@@H](C(=O)C[C@@H]1CCC=CCCC1)C(C)C	1999989112	XBLTVCZMOFDARB-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCC(C)=C(C)C)C1	2000168428	BMPZHVUOFURIBG-WFASDCNBSA-N	234.383	4.684	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H](C)CC(C)C	2000189623	ZZHMVEROLSJUSQ-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CCCC1([C@H](NC)C2CCCCCC2)CCC1	2000331160	DGJBMZAJVIKAPI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](C)(CNC)CC1CCC(C)CC1	2000512509	RWVIZBOUXYRYCA-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC1(O)CC2(CCCCCC2)C1	2000670491	PMINCARHBRAQHF-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCCN(CCCC)C[C@H]1C=CCCCC1	2000900191	LFNABFQRCWQUKG-INIZCTEOSA-N	237.431	4.635	0	10	BJAE	
CC(C)CN(CCCCCC1CC1)CC(C)C	2000901505	ZNWNAHIPNNYODG-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1NC1CCCCCCCC1	2003095222	MEKRFUZAASBKDR-HOCLYGCPSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC([C@H]2CCCCCCC2=O)CC1	2003118256	QVRHOGRKYLYBPT-YMAMQOFZSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CNCC1(C)CCCCCCC1	2004938016	YJNBQUKZNSNZIX-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCN[C@@H](C(C)(C)CC)C1(C)CCC(C)CC1	2007691294	CEGDTZRDGVSENN-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C)([C@@H](O)C[C@H](C)C(C)(C)C)CC1	2007699723	ZBTVCBKPCWVHEN-WJEHIRDRSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H]1CCC(C)(C)CC[C@H]1O	2009407591	OAXYYIYHVGWKBF-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCCNC[C@@H]1CCC[C@H](CC)CC1	2009597924	IRGRSHHOVZRMHP-KADIJHKTSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CCC[C@H]1C[C@H]1C	2011560946	GTHJVZYVRCKAEB-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
C[C@H](Nc1ccc(C(C)(F)F)cc1)C(C)(C)C	2012749486	PGVSHIZAZPNDOI-JTQLQIEISA-N	241.325	4.645	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)CCC)CCC1(C)C	2014848545	GJAHKNDTFKICHS-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(C)CNCCCCCC(C(C)C)C(C)C	2015343297	CSITYXPELDPQFF-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CC(C)C(CC[C@H]1CC[C@@H](C)C(=O)C1)C(C)C	2015390365	KSSJCYCAXKTZHU-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(CCN(C)[C@@H](C)C(C)(C)C)C(C)C	2015394758	RQJKCEUDPVTCNL-AWEZNQCLSA-N	241.463	4.671	0	10	BJAE	
CCC1(C[C@@]2(O)CCC[C@@H](C(C)C)C2)CCC1	2015596524	RSCVBQXMWUTPGA-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@@]1(C)C[C@@H]1C	2016465280	FDKOWAZFBLCYLP-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1(NCCCCCC2CC2)CCC1	2017111733	FFVBVQSONVASQR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CC2(C(C)C)CCC2)C1	2017124227	FPPASXGSWTYJBP-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCCC(=O)C1(C(C)(C)C)CCC1	2017133290	PSEZBOMXTMZPCU-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)NCC1(C(C)(C)C)CCC1	2017136526	KTUZGRBYPMEDHJ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(O)C[C@H]1CC[C@H](CC)CC1	2017653688	WMHAQMHQHNYDAF-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)CCC(C)(C)C)CC1	2017663676	XAJOXCDCKLTLKC-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@H]1CCCC2(CC2)C1	2017709621	IEQCPWBMVMJQGI-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CC(=O)C2(CC)CC2)CC1	2017774014	JFZKDRAQCWLWDE-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@]2(O)CC(C)(C)CC[C@H]2C)CC1	2018965474	RDRDZXNCKSFLEZ-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@H]2CCCC(C)(C)[C@@H]2O)CCCCC1	2020401486	XHLNXPPPRSKASB-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC=C(CC)[C@H](CC1CC(C)(C)C1)NCCC	2020970576	YADMHLGBFPTXHP-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCN(CCC(C)=C(C)C)[C@@H]1CCCC1(C)C	2022054350	OMWGNRCNBALHNJ-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)C(C)(C)C(C)(C)C	2022557164	MBBHZMFLQBPDQF-RYUDHWBXSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@@H]1CC(C)(C)C[C@H]1NCCC	2023607666	BDWZWYBJXHDAKC-IPKOWEFYSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](C)CC(C)(C)C[C@@H]1CCCC(C)(C)C1	2024091361	HRMYYYUSHBSIQQ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H]([C@@H](N)C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2024092459	RGRULBINGCWHMK-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@]2(C)CC2(C)C)C1	2024101316	JRMOZVCZVIPVNC-MLGOLLRUSA-N	236.399	4.598	0	10	BJAE	
CC(C)(CO)CCC1CC(C)(C)CC(C)(C)C1	2024117609	LJARBASMHRHJBQ-UHFFFAOYSA-N	240.431	4.638	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H]1CC=CCC1	2027903563	NJWQMJBORZMHLA-CQSZACIVSA-N	242.362	4.568	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1c(C)c(C)cc(C)c1C	2028233805	ZVCDRESTHSFTFX-DOTOQJQBSA-N	248.410	4.636	0	10	BJAE	
N[C@]1(CCCCCC2CC2)CCC[C@H](C2CC2)C1	2028637170	OHVCLKFZVGESNY-DLBZAZTESA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1C[C@H]2CCCC[C@@H]21	2028759453	IIASEJGWVQEHRR-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(CC2(C)CCCCC2)CC12CCC2	2032138557	LBWNSZAEOISMEH-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CCCC2)C1)[C@@H]1CC1(C)C	2034362803	JRJDSTKWTAWGJF-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@H]1CCCC[C@@H]1C	2037050532	AEOALBOLUDQBQZ-QRTARXTBSA-N	245.410	4.636	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC[C@H]1C[C@H]1C1CC1	2037129526	DDUNTUQYVBKBFT-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@H]1C=CCCC1)CC1CCCC1	2038114076	FPJJNXRIKBZNGL-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC1CC2(C1)CC(C)(C)C2	2039462872	YNVOUQMMMHTRJV-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC2(CC2)C1)C1(C)CCCCC1	2039861781	ILLYMHUXVBWVPF-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@H]2CC[C@@H](C)C2)cc1	2040173511	URUPDDOYOXVHHA-JKIFEVAISA-N	246.394	4.670	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)C1(C)CC=CC1	2042025986	ZZRBIJJITLUPBV-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(C[C@@H](N)CC2=CCCCC2)C1	2042998224	NULHRHDCGGBKPQ-GPANFISMSA-N	249.442	4.667	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@@H]1CCCC(C)(C)C1	2043189658	CQSFLGBUSCNYMF-GDBMZVCRSA-N	249.442	4.824	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@@H]1C(C)=CCC[C@H]1C	2045811093	TYXRJHBZSKHPAF-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@@H]2CC23CCCC3)CC1	2047054382	DBCSGSMIQBJBMM-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047428542	ZNJBNFZJUBMJIQ-ARFHVFGLSA-N	248.410	4.908	0	10	BJAE	
C[C@@H](NC[C@]1(C)CC=CCC1)C1CCCCCC1	2047714989	DIOAYCNYHKHAEX-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(NC[C@]2(C)CC=CCC2)c(C)c1	2047725289	AUFLDGHHSCIACP-QGZVFWFLSA-N	243.394	4.770	0	10	BJAE	
CC1(NCC2[C@H]3CCCCC[C@H]23)CCCCCC1	2048453708	IHZXBVCOCFAXKY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2048466137	TYTJYYDTBWYBMD-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C1CC(CC)C1)[C@]1(C)CC=CCC1	2048589975	KGBDJNBISSKLLC-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(O[C@@H]2[C@H]3CCCCC[C@H]32)cc1	2049201298	TUVJUGIKJFNUAQ-FVQHAEBGSA-N	244.378	4.768	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@H]2CCCC3(CC3)C2)C1	2049539781	JADJMYGNDGVMMB-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1NC1CCCCCCCC1	2049673760	XMZSFSZCPJUWGJ-KCYZZUKISA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2CCC3(CC2)CC3)C1	2049947021	CICRLDACOWVTHR-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@H](N)CC[C@@H]2C=CCCCC2)cc1	2050432753	XVZFSSCRNTZGFU-NVXWUHKLSA-N	243.394	4.521	0	10	BJAE	
CCC1(C)CCC(NC[C@@H]2CCC3(CC3)C2)CC1	2051599481	OURWWVPKPSMMHF-QQFBHYJXSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(N)(CC2CC3(CCC3)C2)CC1	2051602455	OTPJXTKRXHXXKF-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CN(CCCCCC1CC1)[C@H]1CCCC12CCC2	2053431922	ZGRCGHVWGMADSX-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC(NC[C@H]2CCCCC23CC3)CC1	2053433481	GUKVTMHINAFQCO-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@H]1CCCCC12CC2)C1CCCCC1	2053434994	ZFSPQXRKDCMRON-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
NC1CCC2(CC1)CC(=CCCCCC1CC1)C2	2056624378	ZOMKOQFJRKTBBK-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CC2CC(C3CCC3)C2)CC1	2056640498	PVEJXBSFNAHMEK-DXCHVLGVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@@H](C)C1CC1	2061091800	LJZKVXJKRNPYDS-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)C[C@H](C)CC(C)(C)C2)CC1	2061114479	YSAUZBYOPBXODD-CKEIUWERSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@H](NC)C2(C(C)C)CCC2)CC1	2061151372	ROGRXONTIZYYQP-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCCCCC1CC1)C[C@@]12CCC[C@H]1C2	2061614700	WCSHSXAIEXXONB-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CC(=C2CC2)C1)C[C@H](C)C(C)(C)C	2061729979	CKXHLDHPOHSUDH-LRDDRELGSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](NCCC)C1CC(=C2CCC2)C1	2061733583	FNZMEXBYKZAZNA-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCCCCCN1CC12CCC(CC1)CC2	2065299255	ZAZFLQZQZRYVPW-KLAILNCOSA-N	249.442	4.611	0	10	BJAE	
C=CC=CCC[C@]1(CNC(C)(C)C)CCC1(C)C	2068230206	NIUGTTMIZNPONX-QGZVFWFLSA-N	249.442	4.703	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@@H]2CCC2(C)C)cc1	2068289290	GFXXTGRCJWYRGQ-WFASDCNBSA-N	244.378	4.819	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](O)c1cccc(C(C)(C)C)c1	2068823221	PJILPXUOGOTFOT-BBRMVZONSA-N	248.410	4.700	0	10	BJAE	
Cc1ccc(F)c(NCC2(C(C)(C)C)CCC2)c1	2071953269	KEQKXRDNXBUASD-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CC[C@H]2C2CCC2)CC1	2072796123	LTMNXAVBIBOMOC-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CC[C@H]3CCCC[C@@H]3N2)CC1	2072809583	OYFAHFBDIDIUNI-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
CC1([C@@](C)(N)C[C@@]23CCCC[C@H]2C3)CCCCC1	2074034481	RBBYYDQYIBQWSN-XIRDDKMYSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@@]12CCCC[C@@H]1C2	2074092376	XAZWMSCCRYQMTN-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C[C@H]1CCN1[C@@H]1CCC12CCCCC2	2075016833	QDHDDKIHQGVALP-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
C[C@@H](N(C)CCC1=CCCCC1)C1(C)CCCC1	2075145730	KUCHVKPCHLVYIG-OAHLLOKOSA-N	249.442	4.778	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@H]1C[C@@H]1C1CCC1	2079314685	FAXAJYBPJHPURW-BMFZPTHFSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2C[C@H]2C2CCCCC2)C1	2079531172	QLZDTYYQJOZXGO-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2C[C@H]2C2CCCC2)CCC1	2079726426	SSRIKBFOWCJZQA-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(-c2cc(Cl)cs2)ccc1F	2080278887	LATOMHOVYTUOOH-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCCC(C)(C)C2)C=CCCC1	2082986241	LHWYMUYHBGJPQW-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@@H](CCC)CN[C@H](C)CC	2212590416	WSOJPOSNQZZBHV-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCNCC1(CCCCCCC2CC2)CCC1	2213576285	OLGFJNOKSRAALS-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC(C)(C)CCC1(O)CCC(C2CC2)CC1	2213705970	NZJIYLAJSUECLK-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@@H]1CCCCCCCCC1=O	2215116359	KHWKKEXVXWMJOA-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@H](O)C1(C)CCCCCCC1	2215237586	QOQCVNIBQHORFA-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](CC[C@@H]1C[C@@H]1CC)NCC	2215250832	KVLFJCQTKZQHQR-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CCCC(=O)CC1CCCCC1	2215361286	DJGTVIUBJZVYFH-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@](C)(CNC1CCC1)CC(C)(C)CC	2217126351	DAEDECNIUANVMV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC1(C(=O)C/C=C/c2ccccc2)CCCCC1	2219093590	ZUMXPXBKFPAWIZ-DHZHZOJOSA-N	242.362	4.629	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H]1C)[C@@]1(C)C=CCCC1	2220539564	KMSUDSQYLGARFJ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)C1CC2(CCCCC2)C1	2220880253	RIVKXNJWTIGUFI-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)C[C@H](C)CCC1=C(C)C	2220959940	LFYPXKOCIMPERP-AIANPOQGSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H](CC2(C)CC3(CCC3)C2)C(=O)C1	2221083265	HMDAPZJHBZGGTJ-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2CC(C)(C)C2(C)C)CC1	2221647107	ZMCSAEAEACCEQV-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC(=O)CCc1ccc(C2CCC2)cc1	2223688092	MZVNVCBZNSOIPB-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1ccc2occc2c1	2224145135	KGUIWLVLPLSCFE-LBPRGKRZSA-N	244.334	4.832	0	10	BJAE	
c1ccc2c(c1)CC[C@H](c1cccc3ccoc13)N2	2232410968	SAQMKTWSUPROOG-MRXNPFEDSA-N	249.313	4.532	0	10	BJAE	
Cc1cc(-c2cscc2N)cc2ccsc12	2243750278	BQZFFPFXKXSRNG-UHFFFAOYSA-N	245.372	4.520	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](C)CCC(C)(C)C	2244806490	LSJCRHPJUXDDLW-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC1(C)CC(C)C1	2246584080	IAZKSBMXTXXUGW-JWMHWRSXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC[C@H]1CCCCC12CC2)NCC	2246628417	XZPZHGQEANGYSO-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc2c1N[C@H](CCCC(C)C)CC2	2246638403	UZIMYQNKZPAXTD-OAHLLOKOSA-N	231.383	4.548	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](C)(N)CC(C)(C)C)C1	2246663738	NFDJUNJXZJXUBN-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
Cc1sc(C(=O)[C@@]2(C)C=CCCC2)c(C)c1C	2246817106	XKGDVPLLKUZMQH-HNNXBMFYSA-N	248.391	4.602	0	10	BJAE	
CCC(CC)(CC)C(=O)C1CC2(CC(C)C2)C1	2247058005	NJQPUQHUDISSEK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CCCC[C@H]1C[C@H]1C)NCC	2247166154	ORJSPXMANXKCQQ-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
Cc1csc(C)c1C(=O)C[C@H]1CCCC12CC2	2247667164	VMVDSDBYDLUXHB-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
Cc1cc(NC2CCC=CCC2)cc(C)c1Cl	2249283162	DVFQBMQKOSWCEX-UHFFFAOYSA-N	249.785	4.868	0	10	BJAE	
CC[C@@H](Nc1cc(C)c(C)c(C)c1)C1CCC1	2249491152	NWYZUKQNPFOKTP-MRXNPFEDSA-N	231.383	4.602	0	10	BJAE	
CCC1(C(=O)c2ccc(C3CCC3)s2)CCC1	2250279506	LDZWNWDVZFARQI-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCCC[C@H]1O	2250467362	PVMDECUYHXJKRH-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN1CCC(C)CC1	2250518150	HHVQFKWAYGEDHL-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](C)[C@@H](N)CC[C@@H](C)CCCC(C)C	2250523986	NESQPDGLXKIJJA-JYJNAYRXSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](F)(CN)C(C)C	2250529058	ONWUPANIUUFLCO-GJZGRUSLSA-N	245.426	4.552	0	10	BJAE	
CCC(CC)CC(=O)C[C@@]12CCCC[C@@H]1CC2	2251157107	FZDCVRCTYKOVNL-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CCC1CC(C)C1)CC(CC)CC	2251754830	IQTTUNLLDKHQIB-AVVWSFFYSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCCCC12CC2)CC1(C)CC1	2253825017	RHPFPXDGEVVCJV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H]1CCc2cccc(C)c2N1	2253875280	QHSIZQQZOUZCOJ-FVQBIDKESA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)C[C@@H]3CCC[C@@H]3C2)C1	2253909918	DZSVDUMIIYDCIF-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CNC23CCCCC3)C1	2253971206	NWKMHSMFDUGEGS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](CCC[C@@H](O)c2ccccc2)C1	2254019263	HOXKAWCTHIHMBG-ZMSDIMECSA-N	246.394	4.717	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(C[C@@H]2CCC23CCC3)C1	2255023812	BCWAZDZQSRYGHW-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](N)(CC2=CCCCC2)C1	2255094685	OVAVEWIZHPTEAT-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CC2=CCCCC2)CC1	2255132261	KAIBCBHNCLEKPZ-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](CC[C@H]1CCCC12CC2)C1CCCCC1	2255290698	IVKDDPRLDYLDDF-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(CN(C)CC[C@H](C)CC)cc1	2256311751	GEDAVPIBVILCKF-OAHLLOKOSA-N	247.426	4.507	0	10	BJAE	
Cc1ccc(NC2CCCCCCCC2)nc1C	2259296687	DFIHSOAHUDEILP-UHFFFAOYSA-N	246.398	4.613	0	10	BJAE	
CCCc1cccc([C@@H](NC)[C@@H](CC)CCC)c1	2259444716	QOCNMBKFRLDUST-RDJZCZTQSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@]12CCCC[C@@H]1CC2	2260485513	FSUDCLIGQXMFPJ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(CC(=O)[C@@]23CCCC[C@@H]2CC3)CC1	2260524363	LYGXGGXPAFXGRY-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(OC[C@]23CCCC[C@@H]2CC3)c1C	2260580737	XKTXBGYBZNSPQN-NVXWUHKLSA-N	244.378	4.653	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@@]23CCC[C@H]2CC3)CC1	2260587303	MFJUSMUYSXAGIJ-FXUHHZDVSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@]12CCC[C@@H]1CC2	2260615489	ZDJFIFZOJYIJKL-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@@]12CCC[C@@H]1CC2	2260638846	PUXLRSCXNOLAFC-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CC[C@@H](N)[C@H]2CCC3(CCCC3)C2)C1	2261490411	KPJUZZNFNAUDGD-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@@H]1CCC(C)(C)C1	2300681832	STLXACNQLLLVEW-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)C1CC[C@@H]2C[C@H]2CC1	2300683664	MBEAYTHDMWIBKD-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2300683932	OTYRLFJNKBQROF-XNISGKROSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCCCC[C@H]1NC	2300687048	XLGGFILYFQAWNP-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCC(=O)c1ccc(C)c(C)c1	2300702592	XWSWJKGGRUAALW-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CCC(C)=CCc1cccc2c1CC(C)(C)C2	2300928469	FVORMZQWKCTTHR-UHFFFAOYSA-N	228.379	4.710	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)C1CCCCCCC1	2301971378	MRDGLHLRSQCJAT-GJZGRUSLSA-N	239.447	4.712	0	10	BJAE	
CC(C)CCCCCN(C)CCCC1(C)CC1	2303262616	BUQROLKFZSVZDY-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1CC[C@@H]1C(C)(C)C	2303505821	KWFAHTDXAFWNFX-HIFRSBDPSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@](C)(O)CCC(C)C)CC1	2303520836	HXOPIQLFBLYJRW-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C)CCNC[C@H]1CCC(C)=C(C)C1	2303592939	QEUFTYXWHICRHM-BBRMVZONSA-N	237.431	4.539	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC[C@@H]1CCC(C)(C)C1	2304430755	CYFOIZBPUOIZQW-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)C1CCCCCC1	2307894902	SWULQAVHYMEJBC-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)[C@@H]1C[C@H]1C1CCCC1	2312767469	CILXXORTKRPMOO-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@@](C)(O)c1cccc(C(C)C)c1	2315910121	WRMZWHYICJCGNR-QGZVFWFLSA-N	248.410	4.844	0	10	BJAE	
CCC(CC)CCC[C@@H](NC)c1cccc(C)c1	2316243683	RDMCWUGBOBYRQV-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCC(CC)CC[C@H](N)c1ccc([C@H]2C[C@@H]2C)o1	2316247678	HILVPORQYPJBNQ-UBHSHLNASA-N	249.398	4.619	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317156609	VYPHVRUPJWLFNA-RBSFLKMASA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1[C@H](N[C@@H]2CCC3(CCCCC3)C2)CC1(C)C	2318240826	LVCATYFARWALQA-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
N[C@@H]1CCC[C@@H]1CC[C@H]1C[C@@H]1C1CCCCCC1	2318792026	UPBZTAZHWMSODB-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cc(F)ccc1C1CC1	2319170949	JGKFBLDNXCSOPZ-MRXNPFEDSA-N	249.373	4.529	0	10	BJAE	
CC(C)(C(=O)CC[C@H]1CC[C@@H]1C1CC1)C1CCC1	2319699482	JADSKEXJHACUAQ-UKRRQHHQSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(N)(CC[C@H]2CC[C@@H]2C2CC2)CC1	2319741518	QGEOGFPWPYJJCV-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)C=CCCC2(C)C)CC1	2320330288	KUFMXYMFEMPARI-WBVHZDCISA-N	247.426	4.587	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@H]2C[C@@H]2C(C)C)c1	2320586471	HWXCARKQELNCEO-BRWVUGGUSA-N	246.394	4.526	0	10	BJAE	
CCCC[C@@H](C)C(=O)Cc1cccc(C(C)C)c1	2320636883	QVQZMZGPRNELPF-CQSZACIVSA-N	246.394	4.748	0	10	BJAE	
CCC(CC)CC(=O)Cc1cccc(C(C)C)c1	2320641061	WMUHEBBPBGAKCC-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
C=CC=CCCC(=O)c1cccc(C2CCC2)c1	2320659123	XUVSWTFCRBFGNH-UHFFFAOYSA-N	240.346	4.659	0	10	BJAE	
CC1(C)CC[C@@H](CCN[C@@H]2CCCC3(CC3)C2)C1	2321605461	LZBUCAXDLWZCER-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H](CC)c1ccccc1	2328268412	HQFGKTYFYJPWDU-ZBFHGGJFSA-N	246.394	4.966	0	10	BJAE	
C[C@H](CNc1cccc(Cl)c1)c1ccccc1	20022784	PMAJQPZPIZUTNW-GFCCVEGCSA-N	245.753	4.556	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)c(C)c1	21009432	YKLCSJLLLIKIIM-HIFRSBDPSA-N	245.410	4.930	0	10	BJAE	
CCN[C@@H](CC(C)C)c1ccc([C@H](C)CC)cc1	35544282	PHNJFPPIEYFHTP-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@H](C)C2(C)CC2)cc1	37044563	VGTBLGACTNITQO-UONOGXRCSA-N	245.410	4.649	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCCC[C@@H]1O	71110170	XAGGYXCMJJRJIF-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCN[C@@H](CC)CCCc1ccc(C(C)C)cc1	80417046	CPWGMMODABZORV-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCC2=CCCCC2)CC1	86894175	CTRKEQHEPPZTMV-RDJZCZTQSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc([C@@H](O)C2CCC(C)(C)CC2)c(C)c1	87941627	OYWOAKWEWWMJEH-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C1CCC(C)(C)CC1	92116885	IYWGVAVMSNMPQW-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1ccc(C)cc1F	107509340	GRFLOEHCRJQSRJ-FMFIFOJESA-N	220.331	4.984	0	10	BJAE	
C/C=C\[C@@H](C)Cc1ccc(SCCC)cc1	107603454	CJOWKMRZWCKHNU-RYWCDNDXSA-N	234.408	4.943	0	10	BJAE	
CCC1CCC(CN[C@@H](C)c2ccccc2)CC1	109917987	QFGHPUGHKABGAU-FHERZECASA-N	245.410	4.554	0	10	BJAE	
CC(C)c1cnc(-c2cccc(Cl)c2)s1	132149322	NLCCJPGILLOOBL-UHFFFAOYSA-N	237.755	4.587	0	10	BJAE	
CCCCCC[C@@H](N)c1cccc(C2CCC2)c1	133602185	LMLNUOVUJYLZMA-QGZVFWFLSA-N	245.410	4.924	0	10	BJAE	
C[C@@H]1CCC(=O)c2cc(Cl)c3ccccc3c21	136910204	UPXQMKGNKLILSB-SECBINFHSA-N	244.721	4.573	0	10	BJAE	
C[C@@H](N[C@@H]1CCC(C)(C)C[C@H]1C)c1ccccc1	159809831	ZVLVQJZTYRCDGM-IIAWOOMASA-N	245.410	4.552	0	10	BJAE	
CC(C)CC[C@@H](O)c1ccc(C(C)(C)C)s1	165609510	YLZGQJUGMFBUMG-LLVKDONJSA-N	240.412	4.515	0	10	BJAE	
CCC[C@H](NCC)[C@H](c1ccccc1)[C@@H](C)CC	167347319	KPGUYGKZZRZHPR-XIRDDKMYSA-N	247.426	4.595	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C)C2)c(C)c1	216543770	FVZYLHBUNNBNRB-UHOFOFEASA-N	245.410	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(C3CC3)CCCCCN2)C1	218184685	SIZYXLKQVSCQGN-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCC(C)(C)C1	225978926	XFGWNVGRHRSBKN-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CC[C@H](C)C[C@]1(N)CCC[C@@H](C(C)(C)C)CC1	226551991	DJGHGJOZOQYSMD-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)c1ccc(OC2CCCC2)cc1	232357744	CIMYBMVNTKTQFO-GFCCVEGCSA-N	218.340	4.522	0	10	BJAE	
CCCC[C@H](N[C@H]1C[C@H]1CCC)c1ccccc1	300593750	ZJACKNJSUBFQKR-IKGGRYGDSA-N	245.410	4.696	0	10	BJAE	
CC(C)(C)CCCNc1cc(F)cc(Cl)c1	300897512	QMXHZLKEZJELNN-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@H](C)CC(C)(C)C2)c1F	305966817	JUFCJHMUYVHACV-AAEUAGOBSA-N	249.373	4.761	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(C)c(CC)c1	306045450	SWYRADPMOCXTFL-CQSZACIVSA-N	233.399	4.938	0	10	BJAE	
Fc1ccc(C(F)F)c2cc(Cl)sc12	307356789	ZXTAZSWIFKAOGQ-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
C[C@@H](CNC1(C)CCCCC1)C1CCCCC1	310209391	CFIRJGDZKBTSKB-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(-c2csc(C(C)(C)C)n2)cc1C	310211783	GXFKDLHZCCIEGR-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(N)CCCC(C)(C)C2)C1	310405308	LNNPPTHOPCGEIV-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC1(COc2ccccc2C(C)C)CCC1	310467286	AGVCWGYPIMOEMT-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CCCC12CCCCC2	313025194	MFTCLUPXKPPZRF-OAHLLOKOSA-N	231.383	4.780	0	10	BJAE	
CCCCCC[C@]1(CNCCC)CCC[C@H]1C	317464697	YKWPQVOMZFEVRP-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H]1CC[C@@](CCCC(C)(C)C)(CNC)C1	318060519	UPXTUJOKTIYDEK-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](N[C@@H](CC)C1CC1)c1ccccc1	323793735	DTYAGDPYOXJACA-IRXDYDNUSA-N	245.410	4.696	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)C(CC)CC	380248538	YQHLMFHLQOJFJC-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@@H](F)c1cccc2c1NCC2	380538491	AUAPRXFLLGEPEP-CQSZACIVSA-N	249.373	4.882	0	10	BJAE	
CC[C@@H](C)C[C@@H](CCCCCC(C)C)NC	383213839	CQHXTLVZHPTQAQ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(C(=O)CCC2=CCCCC2)s1	384914774	FEGXTUBMUPTIBS-UHFFFAOYSA-N	234.364	4.520	0	10	BJAE	
Cc1cscc1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	387245808	XZBQNBBFNLMBJH-MELADBBJSA-N	249.423	4.827	0	10	BJAE	
CC(C)NCCC(C)(C)C[C@H]1CCC[C@H](C)C1	393850381	WBOUNQYGVPEXIW-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)/C=C(\CNCC)C1CCCCC1	394082100	RFTJMWAVBOPVTN-RGHBXIHOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CCCCCC(C)C	394855126	HZVQENVLNXFFEZ-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CC[C@@](O)(CCC1CCCCC1)C1CCCC1	395700049	ZIEGBZKAUJEAEP-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCc1sc2c(C(F)F)cccc2c1S	396241053	LOHCBMAECKIJQZ-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
Cc1c(C(F)(F)F)c(S)cc2ccsc12	396308280	RPPPIMBCVCYSCR-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCc1c(C)c(C(F)(F)F)cc2ccsc12	396309469	UIRRHWDSMFGLER-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC[C@@H](Nc1cccc(Cl)c1)[C@H]1CC1(C)C	397759756	DUBLPYKKMKMCHY-CHWSQXEVSA-N	237.774	4.577	0	10	BJAE	
CCNC[C@]1(CC2=CCCC2)CCC[C@H](CC)C1	401070128	JDFSWXNIKAPGRI-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CCCCC[C@@](C)(O)CCC(C)(C)C1CC1	405967023	RYTCIGHOXUWKKI-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(CCCC2CC2)CC1	406026102	JWCYAXWSCRBBRT-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](CCCC1CCC1)NC	688399096	REBNFRNWSSEPRJ-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](C1CCC1)C1CC1	691041690	UBPJVGOVMCSDNR-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CCCNCC/C=C(/C)C[C@H]1CC2CCC1CC2	691700877	LCPGQZOOBOZGIR-FGJZZJRRSA-N	249.442	4.539	0	10	BJAE	
CCNC[C@@]1(CC2CC=CC2)CCC[C@H](CC)C1	692155279	MCEDUMPVOCDEPP-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CCC[C@@H](C(=O)CC(C)C)CC1	695054855	JJVPNUBGGIOKNG-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CCC(=O)C(C)(C)c1ccccc1	696559710	IWPJNDKQYDSLTN-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)c1ccc2sccc2c1	700860033	FKTSAIRACLOEQH-ZWNOBZJWSA-N	244.359	4.520	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1cccc(C(C)C)c1	701516427	ANMSCSMTOOIDLZ-HNNXBMFYSA-N	233.399	4.507	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CCCC12CCCC2	704432776	KVUWSHMJZQCEJR-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCc1ccc([C@H](O)[C@H](C)CC(C)C)cc1CC	704721157	BZPAFPFKYQUFDJ-CXAGYDPISA-N	248.410	4.527	0	10	BJAE	
C[C@@H]1CCCC[C@H]1n1ccc2c(F)cccc21	704959394	NMTICWDRGJKEOO-BXUZGUMPSA-N	231.314	4.532	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(N)(C1CCC1)C1CCC1	705335999	RFOBXBALPXNFRY-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(C[C@@H](C)C1CCCCC1)C1CCC1	705349825	IUISPSPSTOBIQW-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCC12CC2)C1CCCCC1	706304601	XICPRZKXWXLFLA-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CCCC(N)(CCC)CC1CCC(C)CC1	707604969	IVMVXNFJOUFBMS-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC/C=C/C[C@H](CCC)c1ccc(N)cc1	708314889	IJYPDGTXTBDCCH-GFUIURDCSA-N	217.356	4.509	0	10	BJAE	
C[C@H](CNC1CCCCCCC1)CC(C)(C)C	709120740	CCNYUHAFUSRKER-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C[C@@H]2CCCC[C@H]21	712505285	WJVBAZPEXPVREK-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@H](C)C(C)(C)C	713242476	ZLEGAZAVQHWBKR-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(O)CCC12CCCCC2	713264662	FIVJMIIBDYNWJR-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
C=C/C=C\CC[C@]1(CNCC)CCC[C@H](CC)C1	713700587	LTCMPRPUKYDCND-IIAQQRLMSA-N	249.442	4.705	0	10	BJAE	
CCCCC[C@H]1CCC(C)(C)C[C@H]1NCCC	717462520	HVGAULZYUIBHKH-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC1CCCCC1	720359817	QKTFQSRFBFUJIY-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H]1CCNC12CCCCC2	721070098	DOOUPEYHHBOTMO-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cc2cccc(C)c2o1	721702477	RCMHEMRKNJWZSN-OAHLLOKOSA-N	245.366	4.567	0	10	BJAE	
CCC(CC)C[C@]1(N)CC[C@H]2CCCC[C@H]2C1	723607293	GIWUJMANHFTZAX-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CC[C@H]2CCCC[C@H]2C1	723645238	HIEJAOYMZJVTTB-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
C1CCCC(N[C@H](C2CCCC2)C2CC2)CCC1	723958525	AMOGJWWFRIMRJJ-QGZVFWFLSA-N	249.442	4.658	0	10	BJAE	
C[C@H](SCCc1ccccc1)c1cccs1	737406972	UPTIEWDZNUEQCB-LBPRGKRZSA-N	248.416	4.785	0	10	BJAE	
CCCC[C@H](CC)CN(C)Cc1cccc(C)c1	1167099991	CAKGJPDPCJFYPB-INIZCTEOSA-N	247.426	4.643	0	10	BJAE	
CC1=CC[C@@H](N[C@@H]2CCCCC23CCCC3)CC1	1205944531	ZCZFYHDJWOYPJF-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CCC(CC)CSc1cccc(C)c1	1458927303	BLNKLSASWQNLPJ-UHFFFAOYSA-N	208.370	4.523	0	10	BJAE	
CCCN[C@@H](CC)CCCCC(CC)CC	1900701290	LHTUUAMOYIQLKX-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CC(C)(C)[C@@H](O)CCCC1CCCCCC1	1901132491	MASLADNFLOPCCU-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C(C)(C)C(C)(C)C	1905447940	XMTKYSWNBGUYAP-STQMWFEESA-N	228.420	4.636	0	10	BJAE	
C=CC=CCC[C@H](NCCC)c1ccc(C)cc1	1911809075	UZWLMDKJPGGMAP-KRWDZBQOSA-N	243.394	4.558	0	10	BJAE	
CCC=C[C@H](C)Cc1c(C)cc(C)cc1C	1911899790	CRFFMANKUDLJBE-LBPRGKRZSA-N	216.368	4.757	0	10	BJAE	
C=CC=CCC[C@]1(CNC(C)C)CCC[C@H](C)C1	1911984980	JDLPFXXQRXCNTH-IRXDYDNUSA-N	249.442	4.703	0	10	BJAE	
CCC(CC)C[C@@H]1CCCCCCCC[C@H]1O	1913404980	QRXJRDAOSNPODD-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
CCCC=CCNc1ccc(C2(C)CC2)cc1	1914675191	FQOFENNJVNHLPY-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
C[C@H](CC1C[C@@H]2CCC[C@H](C1)N2)C1CCCCC1	1922311164	VSWYZWZZJXDHSE-ZBSSRIJBSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cc(Cl)ccn1	1935602853	WOSKBHPOOMQYDC-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CCCCCC[C@H](O)c1sccc1C1CC1	1937051195	SDBASNCFCHQGNA-ZDUSSCGKSA-N	238.396	4.629	0	10	BJAE	
CC(C)CCCCCNC1(C2CCCC2)CC1	1940485952	FDUZTWCNOFRTHP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)CC1(C)CCCC1	1940791349	UNNXKWNEVJZFEZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNCC(C)(CC)CC	1941358947	VFHZBWRNRRODJF-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
C[C@](N)(CCCC1CCC1)CC1CCCCC1	1941464363	LMKIXLMGGRMMDA-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
N[C@H](c1sccc1C1CC1)C1CCCCCC1	1942505828	MLBQPYJXARXYFY-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CC(C)(C)CCC(=O)[C@]12CCCC[C@H]1CCC2	1944223653	UFWHIPIMNMYASY-BBRMVZONSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCC[C@@H]1C)CC(C)C	1944842135	HPTXXAXNZCASBK-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CCC[C@@H]2C)c1	1944848551	GDODIEZHYGDEMI-DZGCQCFKSA-N	231.383	4.658	0	10	BJAE	
CC(C)C[C@@H](CN)CCC1CCC(C)(C)CC1	1945763378	JPQWXERFYBACOE-HNNXBMFYSA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1c(C)cccc1F	1947458966	HVKVVVPXYPDUJN-TZMCWYRMSA-N	235.346	4.515	0	10	BJAE	
CC(F)(F)C(C)(C)CC1(O)CCCCCCC1	1947532642	NYLWYVCKLMJVAH-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@H]1C=CCC1	1947589214	WFBKFWMAJQPENP-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)[C@@H](C)CC(C)C)c1	1948325083	DYDUPAIRSFGQIR-LSDHHAIUSA-N	233.399	4.786	0	10	BJAE	
CCCC1CCC(C(=O)[C@H]2CC[C@@H](C)C2)CC1	1949505348	JOKRHLNVCZHAGY-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1C[C@H]([C@@H](C)CCC)CCC1(C)C	1949655019	ZVMGCZVITXXQDQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(F)(F)CCC(=O)[C@@H]1CCC[C@@H](C)CC1	1950930686	QSEIQTXEQSYWOZ-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2CCCC3(CCCC3)C2)C1	1967855857	OAQYRHIYRYJHDH-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
Clc1ccc(NC[C@@H]2CCCC3(CC3)C2)cc1	1968265772	PBHKVCIHKCOISH-GFCCVEGCSA-N	249.785	4.722	0	10	BJAE	
CCC[C@H](C)Nc1ccccc1SC1CC1	1975970052	FDKIZCSXJCXXSQ-NSHDSACASA-N	235.396	4.542	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CCC1CCC1	1976922788	WEHISTPFTKNWGO-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCCCCC[C@@H]1N	1980340275	VCYBGIQJLOQJBW-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)C1(C)CCC1	1981366556	UOZVXHUABNIUPQ-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)C1(C)CCC1	1981373172	ZNIKHBVMUICKRY-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CC1([C@@H](O)c2cccs2)CCCCCCC1	1981417022	WIACRPGNCRCDES-ZDUSSCGKSA-N	238.396	4.532	0	10	BJAE	
CC=CCCCNCC(C)(C)CCCCC	1984616625	OKCXZXVQQAAZFS-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
C/C=C/CCC[C@H](N)CC[C@@H](C)CCCC	1995264675	WHNOBQFBDVVHIC-PGXISHIXSA-N	225.420	4.667	0	10	BJAE	
CC[C@](O)(C1=CCCCCC1)C1CCCCC1	1996550237	YDSNWWNDSPGCBC-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@H]1CC=CCC1	1997545911	HILYZSBZVAGGHM-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H](C)C1CC(C)(C)C1	1998649662	JLNCQADNKCYWCB-UONOGXRCSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCC(O)([C@H]2CCCC(C)(C)C2)CC1	2000025906	YPQMTNYJDYUATR-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CCC(=O)C1(C)CCCCCC1)C(F)F	2000212381	VTSCVVJPVRPYKN-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@@H](C(=O)C1CC(C(C)C)C1)C(C)C	2002327582	KJDOSNNVPBUSTD-YMAMQOFZSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@]1(CNC2CC2)CCCC(C)(C)C1	2002981032	GGSKWRDXZHNCTQ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@](C)(N)[C@@H]2CCC[C@@H](C)C2)CCC1	2003017384	RVNFOFGXYWHVDI-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)n1[C@H](C)[C@H]1CCCC(C)(C)C1	2003025857	AFZMHRJXOFQVGK-CABCVRRESA-N	233.399	4.882	0	10	BJAE	
CN[C@@H]1CCCCCC[C@H]1CC1(C)CCCC1	2003099009	MASKDTOATMTTHO-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC1(C[C@H](O)C2=CCCCCCC2)CCCC1	2003175669	MMBFDTJYIVIXLV-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CC1(CC(=O)C[C@H]2C=CCCCC2)CCCC1	2003180229	YQDIZKSGPXBNTD-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@]1(C)C=CCC1	2003328642	FOPVDQAGMIRVAS-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1(CCC)CCC1	2004224989	HBIIOWXEXLXDRX-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](CC1CC1)NC1CCC(C)(CC)CC1	2004342204	QIIYQSDSYIPDEF-QQFBHYJXSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)C=CC[C@H](CC)C1	2006613150	HADDBUTUSRTYJU-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCN(CCC(C)C)[C@@H]1CCC[C@H]1C	2006741638	HLRAKZQGRAUNQS-HZPDHXFCSA-N	239.447	4.569	0	10	BJAE	
CCc1cccc(NC2CC[Si](C)(C)CC2)c1	2006996951	CRFUCHPXTUIQLH-UHFFFAOYSA-N	247.458	4.532	0	10	BJAE	
CCC[C@](N)(CC1CC(CC)C1)C1CCCC1	2007749463	NJABVFVURQKVEY-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CC(N(C)CC(C)(C)C(C)C)C1	2009320656	QOJSIVXMYMUPMK-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](O)(CCC2(C)CC2)C1	2009543561	HTVSSEZQUMUEDK-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@]1(CNCC)CCCC[C@@H]1C	2009630754	XOKJJADASFLKMG-INCBCAAFSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)c1cccs1	2010722767	WEQVWWHMPNSASN-CQSZACIVSA-N	249.423	4.535	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C1=CC[C@H](CC)CC1	2010729976	UAPZTXLJHJVVOA-DZKIICNBSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@H](CC[C@@]12CCC[C@H]1C2)NCC	2011000945	GALNOWQBBQYOPF-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@@H]1CC(=O)CC(C)(C)C1)CC(C)(C)C	2012084641	PVTLOXSOZRIPCN-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCCCC(C)(C)N[C@@H]1CCC2(CCCC2)C1	2013533486	QHBXYKZHUDWGDV-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCC(C)(C)[C@H](CCC(C(C)C)C(C)C)NC	2015343361	DGZNFLGJFPKLER-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C1(CC2CCC2)CC1	2015795315	BBLPRUIFNQGEPI-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(CCC2(CO)CCCCC2)CCC1	2017121718	RYEBBMIATZXFEJ-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCC[C@H](C(=O)CC1(C(C)C)CCC1)C(C)C	2017124920	XOKUOZSKJMDFJJ-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
C[C@H](C(=O)CC1(C(C)(C)C)CCC1)C1CCC1	2017126177	XPXPANULLFQQIC-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC(C)C)C1(C(C)(C)C)CCC1	2017138410	JPKPDRNKVIVBSD-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1CC[C@H](CC)CC1	2017653258	QNDDHUIUHKRHEM-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCCCCN1CC(C)(C)CC[C@H]1C	2019341768	DMBFKZJUQWAFCZ-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@H]2C=CCCCC2)C1	2019535661	HZUYAEOHJMMTSL-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C)C(=O)CC1CC(C)(C)CC(C)(C)C1	2024092601	SNOBMIHDBJRKKH-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CC1CC(CC)C1	2025434915	GFJVBXANJKOYKO-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@@H]1[C@H]2CCCC[C@H]21	2026065381	ZRFKHMLYIQJXAY-NYTXWWLZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)[C@H](C)CCC(C)C	2029823866	JPIGDHFNDUCGHM-OIISXLGYSA-N	248.410	4.613	0	10	BJAE	
C[C@H]1CC(C(=O)CCC2=CCCCC2)C[C@H](C)C1	2030225296	COUWKNOWPMTAMZ-ZIAGYGMSSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1ccccc1OCC1[C@@H]2CCCC[C@@H]12	2032782759	KKELBCGEPWPYIP-HUUCEWRRSA-N	244.378	4.625	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H]2CCCC[C@@H]21	2035405816	YJVBXPXXGLUISF-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1CCC([C@@H](N)C[C@H]2C=CCC2)CC1	2035588769	FNEPLBPPFBGFDB-LBDPXKHJSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@H]1C[C@H]2C=C[C@H]1CC2	2036949512	KNAJFNVSWQOQJF-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCCC12CCCCC2	2037170957	XLWIQCUHAVVMRW-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCN[C@@H](CC1CCC1)[C@H]1CCC2(CCCC2)C1	2037579591	JPXHFNUKGSDWMA-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@@H]1CCC2(CCCC2)C1	2037678962	ODQBWAUEEYGZDW-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1C[C@@H]2CCC[C@@H]2C1	2038550370	UDJUSGOOQXWWIR-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@@H]1CCC(C)(C)C1)C2	2038932796	IHFJHUYTDOPDKJ-NUHCZIBGSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCN(C)C[C@H]1CC12CCCCC2	2039047786	NRZKCEOGROJRKD-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC(C)c1ccc(CC(=O)CCC2CCC2)cc1	2042744425	IRGZSIYLOVUUKJ-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)[C@@H]1C=CCCC1	2043187805	OLPVPUPQCVCILE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1coc(C)c1C(=O)C[C@H]1CCC=CCCC1	2045308565	VHGOEGOFHPFCEL-AWEZNQCLSA-N	246.350	4.606	0	10	BJAE	
CC[C@](C)(CNC1CC1)C[C@H]1CCC=CCCC1	2045323257	KYHJAMFVDMEULG-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1([C@@H](N)C[C@@H]2CC23CCCCC3)CCC1	2047014696	DAXCJJYSHIUQBN-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C[C@@H]2CCC23CCC3)CC[C@H]1C	2047934973	GBQZZKUHMXLFCI-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CC[C@H]2CCCN[C@@H]2C1	2048076557	FNOWOXFPGSVGDD-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C1[C@H]2CCCCC[C@H]12	2049203084	LQJVXLLIHUMCKK-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)[C@H]1CCCC(C)(C)C1	2049499123	RABOHIZJCPKKHH-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C[C@@H]2C=CCCCC2)C1	2049562519	ZASAPMUTQYDYSJ-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@H]2CCC=CCCC2)CC1	2049636673	NEXXBSQNANIFLS-JYJNAYRXSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C1=CCCCCC1	2049792518	HTKDHEZJLNWVIT-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(C[C@@H]2CCCC3(CC3)C2)C1	2049846548	UIXQYCBJDPYMDC-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC1C2CCCC1CCC2	2050041554	JROZZIGMKTZOMS-HHPWFTGOSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@H](N)c1ccc(C)cc1	2050424139	ACBVCHFHOZUYMK-OIISXLGYSA-N	245.410	4.601	0	10	BJAE	
Cc1cccc([C@@H](N)CC[C@H]2C=CCCCC2)c1	2050448279	BOALTMLINMMWIZ-RDJZCZTQSA-N	243.394	4.521	0	10	BJAE	
CCNC[C@@]1(CC2CCC2)CCCCC12CCC2	2053364837	LBJCTZZXLKYPCL-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)[C@@H](C)C1CCCCC1	2056872699	GJCWNTAZHVMCME-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NC)c1c(C)cc(C)cc1C	2059255081	FBSGBEMHIFWIOR-FYCOFBDGSA-N	245.410	4.619	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C1=CC[C@@H](C)CC1	2060922455	RTZKPYFCNVJSJJ-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCC[C@]1(C2=CC[C@@H](C(C)(C)C)CC2)CCCN1	2061095713	OVYZLLRCHHLHNF-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@]2(N)CCCC2(C)C)CC1	2061112804	JGAHELCSSGCDTM-DYVFJYSZSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CC(C)(C)C[C@@H]2C)CC1	2061121347	FLYJFTGKAKXZLY-VBQJREDUSA-N	249.442	4.523	0	10	BJAE	
CCCCCC1CC(NC2CC(=C3CCC3)C2)C1	2061251811	CFDMSLNCPPJSGN-UHFFFAOYSA-N	247.426	4.578	0	10	BJAE	
CC1(CCNCC[C@]23CCC[C@H]2C3)CCCCC1	2061572782	TWDANXOZEJEGSB-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CC[C@H](NCC[C@]12CCC[C@H]1C2)C1CCCCC1	2061573541	YOWPAYUJFJUCGF-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC[C@]12CCC[C@H]1C2	2061618027	SGUNPYIRUQMRJW-QZWWFDLISA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1N[C@H]1CCCCCC12CC2	2062016372	GKTIXXBMXAWYGX-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063512727	ZPTJOWQSPBOQIN-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](C)NCC1CC2(C1)CC21CC1	2064083069	MUNLDZJBYSHWFM-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](N[C@H](C)C1(C)CCCC1)c1ccccc1	2067507324	ANEVYRSCJWAHMP-GDBMZVCRSA-N	245.410	4.696	0	10	BJAE	
CCC[C@@](N)(C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCC1	2068766228	CPZVPYINVAFFLA-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CCF)C(=O)c1cccc(C2CCC2)c1	2071371328	AXVXBLIWSXZSJL-UHFFFAOYSA-N	248.341	4.523	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@@H]2C2CC2)cc1	2071801759	YKTKBKUQHRUKFS-JCURWCKSSA-N	243.394	4.801	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2C(=O)C[C@H]3CC[C@H]2C3)CCC1	2071912774	JVOSPCCOEQTGBB-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)CC2=CCCCC2)CCC1	2071941670	WFBCYQOTIRNLLC-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCC1(C(C)C)CCC1	2071941942	YXAIJDRLXKFSFH-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@@H]3C[C@H]3C2)CC1	2072806146	JHVHTNHZATVITD-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CCc2cccc(N)c2)CC1	2072816901	YXNIRLSSUZPPAD-UHFFFAOYSA-N	245.410	4.808	0	10	BJAE	
CCCOc1ccccc1N[C@@H](C)C(C)(C)CC	2072833948	XSBIPJDPMHIAGF-ZDUSSCGKSA-N	249.398	4.712	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	2074596061	XHPXIPJBGJPNPH-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(CN(C)CC(C)(CC)CC)cc1	2074918673	KDSWXGUDZLXLPJ-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
CCCCN(Cc1cc(C)cc(C)c1)[C@@H](C)CC	2074923270	VWEZUOBFVRMDHM-INIZCTEOSA-N	247.426	4.704	0	10	BJAE	
CCC[C@H](CC)N(C)Cc1c(C)cc(C)cc1C	2074995453	ZHWTYKZUEUULFY-INIZCTEOSA-N	247.426	4.622	0	10	BJAE	
O[C@]1(CC2=CCCC2)CCCC2(CCCCC2)C1	2075726300	ZCCHJZDEISRDNA-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1Nc1ccccc1C1CC1	2077264665	YEEGIURGAUZWMI-WWGRRREGSA-N	243.394	4.801	0	10	BJAE	
O=C(C1CCCCC1)[C@H]1C[C@H]1C1CCCCCC1	2079490685	DFQFYSSIKPQKDU-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(N)CCCCC12CCCC2	2079869683	GOFPPYBVWHFKOF-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCC1(CC)CCC(NCC[C@@H]2CC23CC3)CC1	2086412049	MXQPHODZZAZMPK-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](O)CCCCCCCC1CC1	2210527451	ROGQRDKCWHOBHZ-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCC1(CC)CCC(n2ccc(C)c2)CC1	2211148714	KUYHWGWRDDSJNA-UHFFFAOYSA-N	219.372	4.718	0	10	BJAE	
CCC[C@@](C)(CN[C@@H](C)CC)CC(C)(C)C	2212575808	FYFRERZSUHOQIX-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CC(C)C(=O)CCC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213299725	TUDIHKKZOKBDKS-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](C)(CC[C@H]1C[C@@H]1C)CNC(C)(C)C	2215257005	VTUDKSJPLJFBEA-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(OCC2(C)CC(C)(C)C2)c1	2215434881	VIFQNQBKBFVOBW-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CCCC[C@@H](C)NCCCCCCCC1CC1	2216884651	XLOLUMGLQSAWNN-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CN[C@@H](CC=Cc1ccccc1)CCCC(C)C	2219085972	PHTIFQDTHDPUBH-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
C[C@@H]1CC[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2220539108	ITAIVQUNVRTZCN-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)c1cccc(C2CC2)c1	2220965272	YYFAZCFKUSGKOT-DOMZBBRYSA-N	242.362	4.573	0	10	BJAE	
CCC1(CC)CC(NC[C@@]2(C)CC=C(C)CC2)C1	2221638197	OIMCCUWESKORLZ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@H]1CCCCC1(C)C	2221932406	OFAYEIQUQNRYQO-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1CC[C@@H]2C[C@@H]21	2223106289	AEJNQSMLAZDURF-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(CNC2CCC2)C=CCC1	2223604100	IFQBKLCUESTVCI-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@H](N)CCCC[C@@H]1C[C@@H]1C	2243066489	LYIIEIFVCIKWEL-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCCCCCS[C@H](C)c1cccc(N)c1	2246090833	LJPXBBHGJZIYQZ-GFCCVEGCSA-N	237.412	4.643	0	10	BJAE	
CC(C)CC[C@](C)(O)CC[C@@H]1CCC[C@H](C)C1	2246692210	KBGHGPFVWQWEKY-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)CCC1CCCC1	2247131020	ZLBXPRFMSZUSOJ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCC(N)(CCC)CC[C@@H]1CCCC12CC2	2247666903	UVYWELLGBHIMTI-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CCCC[C@H]1NC(C(C)(C)C)C(C)(C)C	2247754140	CAKBDHODAPLSGH-QWHCGFSZSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C1=CC[C@H](C(C)C)CC1	2250359153	QWYYXICGFVWGRH-DZKIICNBSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)C1=CC[C@H](C)CC1	2250362558	VSBRZHZZAZIWHY-OFQRWUPVSA-N	237.431	4.537	0	10	BJAE	
Cc1csc(C(=O)C[C@]23CCC[C@@H]2CC3)c1C	2251192315	AQCHDPHQBPAAMP-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CCC[C@](N)(CC)CC1CC(CC(C)(C)C)C1	2251604518	PWSRYWYNQNOGBS-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](Oc1ccccc1C(C)C)C(F)(F)F	2253075610	XLFPDXLYZAYARQ-GFCCVEGCSA-N	246.272	4.530	0	10	BJAE	
CN[C@H](C[C@H]1CCCCC12CC2)C1CCCCC1	2253791025	GXVYQIHAUWTVIG-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)C1	2253938746	NSTWOXVKDZYINV-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCCC[C@H]1C[C@@H]1C)C1CC=CC1	2254569169	NYHQPGAAUALHAI-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
NCC1(C[C@@H]2CCC23CCC3)CCCCCCC1	2254816051	DOIFLTDFKNRSJL-HNNXBMFYSA-N	249.442	4.646	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2CCC23CCC3)CC1	2255021750	DBFRMAMZJRARJH-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CCC12CCC2)C1CCCC1	2255029093	QJDWFDWQVBHVEV-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc([C@@H](C[C@@H](C)CCC)NC)cc1	2256303039	OYCGEEAIPLSWAL-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCCC(=O)c1ccccc1	2257313365	VQQKTGPYEGGTQN-GOEBONIOSA-N	244.378	4.866	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CC[C@@H]3CC[C@@H]32)c1	2257877643	GPVCKJOWDCRNKI-VBNZEHGJSA-N	243.394	4.585	0	10	BJAE	
C[C@@H](NC[C@@]12CCC[C@@H]1CC2)C1CCCCCC1	2260573958	KFYCNFSGHUDWIM-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@]12CCC[C@H]1CC2	2260588695	TXJZDZHMNUXHHY-XJNFMUPTSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1C[C@@](N)(C[C@]23CCCC[C@H]2CC3)CC[C@H]1C	2260646541	MJFLUKYRNUQABU-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](N)c1cccc(C2CCCC2)c1	2260661175	IEMWBOQQVULJMU-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C[C@@]12CCC[C@@H]1CC2	2298724659	ZMTYMNDDHOMHSQ-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@H](C)CC1CCC1	2298914950	LNKAOVLDHMNQQJ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@H]1CCC12CCC2	2300504402	ZFBMTHSXYAXLEZ-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
Fc1ccc(C(F)F)c(CC[C@@H]2C=CCC2)c1	2300648233	DSJVKGQBKSFLHB-SNVBAGLBSA-N	240.268	4.662	0	10	BJAE	
CCC(CC)CC[C@@]1(CO)CCCC12CCC2	2300688685	PGVPNNFZOXSRKL-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)CCCC1CC1	2300869859	NOYQKYOIJHCNOF-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@H](C)C1CCCC1	2300872434	PNEDKCZXNMSUOM-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@H]1CC=C(C)CC	2300926774	OWPIOWWGXKFTEO-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CCCC1CCCCCC1)C1CC1	2301148489	VMLVMZFMYIQBOG-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@H](O)CCCC1=CCCCC1	2302356086	JFQYMBOSMRTARE-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)CCCC1=CCCCC1	2302361768	QYROSNIVZIQTKA-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@H]1CC[C@@H]1C(C)(C)C	2303513590	QQTGFPLVTHMTMQ-DVOMOZLQSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2C(=O)CCC[C@H]2C)CC1	2303519997	FZRNNKAUZJEXKJ-YUELXQCFSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@](N)(CC1CC1)C1CC1	2303742332	RHZMNCPGHKJYFN-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CCC(=O)c1ccc(F)cc1	2307748377	YQDLNIZJZZALEV-LBPRGKRZSA-N	236.330	4.615	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)C1(C(C)C)CC1	2307891359	BYHNLQFYPLLEED-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)[C@@H]1CCCC(C)(C)C1	2307895761	RMGYLTLGBYKSAE-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cc(C)cc(C)c1	2307901717	IYIHEJUTYGRGGQ-GOEBONIOSA-N	233.399	4.520	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1CCC2(CC1)CC2	2307926424	NQVRHDKLYUASAQ-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2C[C@@H]3CCC[C@@H]32)cc1	2308105989	KBRSEHACAGGWLO-CSFVBSKPSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	2308399541	BPNNPFBXWCIGMY-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2311275125	YZWFUWJEMGNRMV-DTZQCDIJSA-N	249.442	4.523	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)C[C@@H]1C[C@H]1C1CCCC1	2311607844	IWCNYNLYOIWEMP-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2C[C@H]2C2CCCC2)CC=CCC1	2311610688	AARKZHBFEQWUBF-YQQAZPJKSA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@@]12CCC[C@@H]1CC2	2313347498	SMBFYOKRXUCEBE-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CC[C@](C)(O)c1ccc(C(C)C)cc1	2316510956	PYFKKQWWOUSTGZ-KRWDZBQOSA-N	246.394	4.764	0	10	BJAE	
O=C(CC1CCCCCC1)[C@]12CCCC[C@@H]1CC2	2317005680	YJGJQGYSQDJTKB-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
C[C@H]1[C@@H](NC2CC3(CCCCCC3)C2)CC1(C)C	2318182131	JSVCIXGHGKOEJC-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(NCCCC2=CCCCC2)C[C@@H](C)C1	2318530974	GTCREKXPRHXABS-GJZGRUSLSA-N	249.442	4.681	0	10	BJAE	
CCC1([C@@H](N)CCCC2=CCCCC2)CCCC1	2318590239	ZGYLXQFFHLKABY-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)CC1(C)CC2(CCC2)C1	2318938043	GIPIXSUTWYSLNN-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@H]1C)CC1CC=CC1	2318942779	AAOBBEZLJHVKLV-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC2(CNC3CCC3)CCC2)C1	2319291203	PDBVXCJNDVHKOX-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@H]1CCC(C)=C(C)C1	2320230327	GJGFLJVIHNLQNH-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCC[C@@H]3C[C@H]32)CC1	2320395133	UTMAKRGPTCGCDQ-KLHDSHLOSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CC23CCC3)c1F	2327780598	LTYMOMXSYXNZBU-GFCCVEGCSA-N	247.357	4.551	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1Nc1ccc(F)cc1	20006337	ZHMDGRSRFFWBJC-HUUCEWRRSA-N	249.373	4.843	0	10	BJAE	
CCCN[C@@H](c1cc(C)ccc1C)[C@@H](C)CCC	35581598	XKOYXLXSSQXGQC-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CCC(CC)[C@H](NC)c1ccc(C(C)C)cc1	36819893	BLIXFCYPCMSPRA-INIZCTEOSA-N	233.399	4.507	0	10	BJAE	
CCCN[C@@H](c1ccc(C(C)C)cc1)[C@H](C)CC	36820169	ZSGSJRIOGILICX-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(C)c2ncccc12	37312704	QUUSHGXVXWGLJD-CYBMUJFWSA-N	242.366	4.534	0	10	BJAE	
CCCCSc1ccc(C(=O)CCC)cc1	58015737	ABLWHQUXYZOFDD-UHFFFAOYSA-N	236.380	4.562	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCC)c1ccoc1	70414430	UEMIKHOIMROXDP-HIFRSBDPSA-N	237.387	4.537	0	10	BJAE	
C[C@@H](c1cc(Cl)cc(Cl)c1)C(F)(F)F	75839678	RXRAEJJCGSWOSR-YFKPBYRVSA-N	243.055	4.659	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2cccc(Cl)c2)CC1	83427101	WFYLYMMECNWHRI-AAEUAGOBSA-N	237.774	4.721	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](N)[C@@H](C)C(C)C)cc1	90482833	XYCNHDGJYAWOJD-XJKSGUPXSA-N	247.426	4.666	0	10	BJAE	
CCCc1ccc(C(=O)C2C(C)(C)C2(C)C)cc1	91482587	YWENPWPLBQEGNP-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCCC2(C)C)CC1	94321702	INNFHBAPLBXDKO-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)Nc1c(C)cc(C)cc1C	109899422	MHFALQKNVJRNDZ-UHFFFAOYSA-N	233.399	4.993	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(C)c(F)c1	110158929	JZGSPMWNFFSDPR-CYBMUJFWSA-N	237.362	4.762	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1cccc(Cl)c1	122216343	XIIDDWZWHJZVGV-CQSZACIVSA-N	239.790	4.556	0	10	BJAE	
CCCCCCC(CCCCCC)NCC	124765855	RMILAYAPDZSENB-UHFFFAOYSA-N	227.436	4.905	0	10	BJAE	
Cc1ccc(F)cc1NCCC1CCCCC1	125024990	ZRBSUCXVZSAUGJ-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
C[C@H](NC1CC(C)(C)CC(C)(C)C1)c1ccoc1	125458374	LEKIZXUZGDSPFD-LBPRGKRZSA-N	249.398	4.535	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1cccc(CC(C)C)c1	131774912	CGNKHLGCPPFBBN-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CC(C)CNCCC(C)(C)CC1CCCCC1	133997125	GMFBTTLUEWAHSN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)(CNC1CC1)C1=CCCCC1	161459491	ZOPJGHAOFGIPPS-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CC2CCCCCC2)c1	162137517	OWYDRVSCHLQTDA-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CCC(CC)(CNC1CC1)CC1CCCCC1	203434193	OHMXMDDIRYECCO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H]1CCCC[C@H](CC2CCCCC2)C1	203531379	HHBIKNMNFDTRMZ-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCCC1CCCCC1)C(C)(C)C	203531825	DOJBLZVGKBWXAY-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCC[C@@H](C2CC2)C1	227867824	UZGLPSOTPBUNNL-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](NC)C2=CCCCCC2)C1	233933055	GIZYNELIDZCKTO-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC(C)(C)C[C@@H]2C)c(C)c1	235584893	MEWDAYUWRIZXND-LSDHHAIUSA-N	245.410	4.848	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2[C@@H](C)CCC[C@H]2C)c1	251010463	GIBAQQHKWVTRNE-FOLVSLTJSA-N	231.383	4.540	0	10	BJAE	
Clc1cccc2c1CCc1c(Cl)cccc1-2	253494673	YJNJTUARFRASHU-UHFFFAOYSA-N	249.140	4.759	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)([C@@H]2C[C@H]3CC[C@H]2C3)CC1	302410216	PTKCDJBEZTWLPO-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@@H](C)C(C)C	305955728	NTWKXESZNDAISC-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)/C(=C\[C@H](C)C(C)(C)C)CNC(C)(C)C	306042903	QIBASAVQAHZFMN-ODUNQGDFSA-N	239.447	4.639	0	10	BJAE	
Clc1ccc2c(Cl)c(Cl)sc2c1	307120509	HRDCPKYUGBSYMC-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1cc(C)c(C)o1	308104659	IQEOSMLKQCWSIL-CYBMUJFWSA-N	236.355	4.542	0	10	BJAE	
Cc1ccc(N[C@H]2C=CCCCCC2)c(C)c1	310058475	DELLZBBJWYVZPV-HNNXBMFYSA-N	229.367	4.604	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@H](C)C(C)(C)C	310085547	GOSRKKJAAXACDF-WFASDCNBSA-N	234.383	4.526	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC(C)C)CCCC[C@H]1C	317900509	JGDVJNDTQCRIQY-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(O)CCCC[C@@H]1C(C)(C)C	318749798	BRFWBJDJTTZVBE-TTZDDIAXSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C1CCC1)C1CC1	324986345	UWXVWEQVYGQWNL-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC([C@H](N)C[C@H](C)CC(C)C)CC1	379645983	YBEYVESBTBEOGP-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C2(C)CCCCC2)C1	379996803	WHJPDSKKOANSNP-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC1(COc2ccc(C(C)(C)C)cc2)CCC1	381389038	UJUQRKLIIJJIJA-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
CC(C)CCCCC[C@H](N)C[C@@H](C)C(C)(C)C	383353970	FDYIWQOWIIPVNK-CABCVRRESA-N	241.463	4.993	0	10	BJAE	
CC(C)CCCCC[C@H](C)[C@@H](N)c1ccccc1	383370875	JHJRHBCFQLOJHP-DOTOQJQBSA-N	247.426	4.929	0	10	BJAE	
CCN[C@H](C)C[C@H](C)CC1CCC(C)(C)CC1	383900855	NPOFXSKMSCHFQD-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(NC(C(C)C)C(C)C)ccc1C	384008676	IHGQSDHKERLIJF-UHFFFAOYSA-N	233.399	4.650	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1ccc2sccc2c1	386426816	MMUMEZNZSIINRX-NSHDSACASA-N	246.375	4.766	0	10	BJAE	
CCCC(CCC)Nc1ccsc1Cl	387187561	FTKCGVJXMUQXGB-UHFFFAOYSA-N	231.792	4.782	0	10	BJAE	
Cc1cscc1N[C@@H]1C[C@H](C)CC(C)(C)C1	387312148	LJDQFLWNYHOLPG-CMPLNLGQSA-N	237.412	4.683	0	10	BJAE	
CC[C@@H](Nc1ccc2[nH]ccc2c1)C1CCCC1	387599941	VQJBFSYUCGWJPD-OAHLLOKOSA-N	242.366	4.549	0	10	BJAE	
CC(C)C[C@H](C)Nc1cccc2ccsc12	395386299	VNZDONCWSRTBHA-NSHDSACASA-N	233.380	4.748	0	10	BJAE	
CC(C)CCCCCN[C@H]1CC12CCCCC2	395643582	MBZMXLWMEQKZSL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc2c(C(F)(F)F)csc2c1C	396204890	XMTWLBBPLBWEJV-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
COc1ccc(C(F)F)c2scc(Cl)c12	396289277	OTFIOXFYZJSIMM-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)cc1F)[C@H]1CC1(C)C	397792096	QGQJBIRMWJOIHA-TZMCWYRMSA-N	249.373	4.761	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H](CN)[C@H](CC2=CCCC2)C1	400673310	WCSBNQYNCWXHDB-ARFHVFGLSA-N	249.442	4.524	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@H](C)c1ccccc1	401593489	TWMYBYJWFZCYMT-INMHGKMJSA-N	245.410	4.554	0	10	BJAE	
Clc1ccc2c(ccn2C[C@@H]2CC=CCC2)c1	402137359	GLQYFXZEXFIALK-GFCCVEGCSA-N	245.753	4.651	0	10	BJAE	
CCC(C)(C)CCN[C@@H](C)c1ccc(C)cc1C	686311530	XUMCGTOQGJPFQE-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CCCC[C@@H](CCC)NCC1(CCC)CCC1	687525463	RDMOBZBNPGYTHQ-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCCCNc1ccc(CC)c(Cl)c1	691247926	JUWPBJXQOWWOCS-UHFFFAOYSA-N	225.763	4.505	0	10	BJAE	
CCCC[C@@H](NCC1CC(C)C1)c1ccccc1	691892821	OPJAIVZWKHKFSZ-VMBOVVBDSA-N	245.410	4.554	0	10	BJAE	
CC(C)(C)Oc1cccc(Cl)c1C(C)(C)C	694973310	FNIIQRHQBGQBIJ-UHFFFAOYSA-N	240.774	4.815	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H](C)C1CCCCC1	695061145	MRBCHVYHKVPFTK-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CCCC2(CC2)C1	695688324	HDTLVVFGHBMFKT-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC1CCC2(CC1)CC2	695761666	SAMBAOIYTKRILU-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)CC(C)(C)C	697752873	LIKXAUKMWZCFCS-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCC=C(C)C	697816362	OAWCBSFYHKAUAR-CYBMUJFWSA-N	210.361	4.518	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)C[C@@H]2CC=CCC2)C1(C)C	699025557	PYTLINLCIWVDTD-CPUCHLNUSA-N	248.410	4.764	0	10	BJAE	
CCCCC[C@@H](NCCC)C(C)(CC)CC	701245158	YGEUBRPRAMCPRA-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)[C@@H](C)CC(C)(C)C	708254700	MQBAQRISJVEJBO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@H](C)CC(C)(C)C	708295336	BLJFFBLTSXTSKF-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(O)CCC12CCCC2	709178945	RWRVFOFZHNRXGA-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC(C)(C)C1	709194958	AABNCTJAPWUTDM-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCC1CCC(C(=O)[C@H](C)CC(C)(C)C)CC1	709262523	OXXNJSKANMVLTR-IYXRBSQSSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@H](C)C(C)(C)C	710788868	SPAOTVCMVZGEJE-RRFJBIMHSA-N	242.447	4.882	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@H](C)C(C)(C)C)NC	711107306	INKULQSLQYGZCP-DZGCQCFKSA-N	241.463	4.863	0	10	BJAE	
CCCC1CCC(N)(CC(C)(C)C(C)C)CC1	713151110	SIBPOFKXQLCANL-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
C=C/C=C/CCNc1ccc(Cl)cc1Cl	713721519	QXEUMFWNKQBTKS-ONEGZZNKSA-N	242.149	4.538	0	10	BJAE	
C/C=C/[C@H](C)Cc1ccc(Cl)c(Cl)c1	714565671	KBLQODUXSDVOOC-NWALNABHSA-N	229.150	4.748	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC(C)=C(C)C)NC	718573330	PCFHQCMYMWEMCQ-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
C[C@H](CN1CC[C@@H](C)c2ccccc21)C(C)(C)C	1459714171	DFRRVAXKLVIHCE-ZIAGYGMSSA-N	245.410	4.682	0	10	BJAE	
Cc1ccccc1[C@@H](C)SCC1CCCC1	1473098404	CXRLJQINSRNVTI-CYBMUJFWSA-N	234.408	4.979	0	10	BJAE	
CC[C@H](NC1CCC2(CCC2)CC1)C1CCCC1	1621334817	XHZCGIXBHCFSTJ-INIZCTEOSA-N	249.442	4.658	0	10	BJAE	
CC(=CCCNCC(C)C)CCC1CCCC1	1879291584	PLHQYJMGGQIWPX-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCNCCC=C(C)C[C@@H]1CCC[C@@H](C)C1	1883836374	MYQSXQHZYWMIPS-GDBMZVCRSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1CCC(C)(C)C1	1902284949	GCZPZCNUFKAFED-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@H](C[C@@]12CCCC[C@@H]1C2)NC	1909895444	BCRKWGUGSSLSSJ-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CC(=CCl)C[C@H]1C[C@H](C(C)(C)C)CCC1=O	1911588412	DSRQZWPRCWPXOR-NWDGAFQWSA-N	242.790	4.551	0	10	BJAE	
CNCC(=C[C@@H]1CCCC[C@@H]1C)C1CCCCC1	1911987435	JSTCBDATMGWGSX-HOCLYGCPSA-N	249.442	4.539	0	10	BJAE	
CC(=C[C@@H](C)C1CCCCC1)CNC(C)(C)C	1912093110	GAFUQSNJPQXWBG-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(NC2CC3(CCCCC3)C2)c(F)c1	1912711137	QVUAVIKOTYGJJL-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CC(F)(F)CC[C@H]1CCCCCCCC[C@@H]1O	1913405604	UMSTXAANZHVFJI-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@H]1CCC2(CCCCC2)C1	1915873135	UVCGTDJREYKGIN-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](O)(CC(C)C)c1ccccc1	1920026802	IGKXVJABNNEYNX-WBVHZDCISA-N	248.410	4.603	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C1CCCCCC1	1920188208	MGOGTVOFSFGUCT-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)C[C@@H](N)Cc1ccc(C(C)C)cc1	1926382268	GIEHVZKJCQPYGQ-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
Cc1cc(Cl)ccc1CC[C@H]1C=CCC1	1932592722	LMAHZOGSDWWKEF-LBPRGKRZSA-N	220.743	4.547	0	10	BJAE	
Cc1ccccc1N[C@@H](C)C(C(C)C)C(C)C	1940248642	MLKHLJVJXQLILD-AWEZNQCLSA-N	233.399	4.724	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCC[C@H]1CC1(C)C	1940876246	LFVSLNFYUPBMHI-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](CCCC2(C)CC2)C1	1940877291	PRZKZNFDQKPYER-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CCCC2(C)CC2)C1	1940884708	ZHNYSBPWSJYCRO-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H]([C@H](CC(C)C)C(C)C)C(C)(C)CC	1941263362	AZYWRRYIJXPRDA-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@H](CC)C(C)C	1941267284	PWZIIVKTUCLTHQ-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCC[C@H]1CC1(C)C	1941271054	BKBHARWHCSTYMV-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CC(C)(C)CC[C@H]1C	1941355016	IVKVRCYIVJGGFX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1CCC(C)(C)C1	1945583098	PEOSCBXNNLKSFO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1(CCC)CCC1	1948932660	PBEIZTHFTBFRHR-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CCC(C)(C)C1CC1	1949032119	IYUSFBONKSIWJD-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1CCCC(C)(C)CC1	1950919466	PDZPILKNOZRLBA-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC=CC[C@@H](CC)c1c(C)cc(OC)cc1C	1951308286	CXWNJHKSCPJUTI-CQSZACIVSA-N	232.367	4.772	0	10	BJAE	
CCc1ccc(NCC2CCC(CC)CC2)cc1	1968314557	XMABYCDTPDLKPY-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CCc1cccc(OCC2CC(C(C)(C)C)C2)c1	1968358884	QOQVNEUSEJOOFD-UHFFFAOYSA-N	246.394	4.700	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H]1CC(C)C)c1ccccc1	1968550304	XSCAYSCAZNQXLQ-YESZJQIVSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1[C@@H]2CCC[C@@H]12	1968602661	NZFFKNQZCDPQKP-HUUCEWRRSA-N	243.394	4.576	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1CCC[C@H](C)C1	1976007337	GAAVAUAPALAJKF-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)c1ccc(C)s1	1976010208	IHBWQKIUJHJZAM-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2ccsc2)CC1	1976340084	AJJFCANXIALMSF-VXGBXAGGSA-N	236.380	4.537	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1)C1CC(C)(C)C1	1977369701	YGFCURJUPXBUPM-JTQLQIEISA-N	237.774	4.577	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@H]1CCCC[C@@H]1C	1978455813	OFFQAMBYPVXKSG-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@H](O)c1csc(C(F)F)c1	1978580766	ZCFWUGKFKBYWTF-JTQLQIEISA-N	248.338	4.545	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCCCC[C@H]1N	1980335529	AYCCBCVNPBCSIZ-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)C[C@H]1CCCCCCC[C@@H]1N	1980341565	JKBAPIJMVDDNKY-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCCC1CC(Nc2cc(C)ccc2Cl)C1	1984691480	AGXHHOBPLVTSHP-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCC1(C)C	1987951399	YSNMULIEJSYRLB-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC1CCC(CC(O)(CC)CC)CC1	1989772884	VIRIRBJJVMTCOL-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)CC(CC)(CC)CC	1990886205	UCARBTOVHAVTON-UONOGXRCSA-N	227.436	4.569	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)C12CCC(CC1)C2	1995987084	HUXWTBLRCAUGDR-BZUNDVKYSA-N	249.785	4.721	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@@H]1CC[C@@H](C)C1	1996261390	VTCJWGYBKQWXHD-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CC(C)(C)CC)CC1	1997117643	SFZCENZFVSHAIN-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC(N)(CCC2CCCC2)CC1(C)C	1997766527	NYQCHJJLSXJVDO-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C1=CCCCC1)C(CC)(CC)CC	2000376781	PTOJPHSJKZNHFU-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)CC(C)(F)F	2000516288	WFGUIERSFPBOKL-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCC[C@](C)(CNCC)[C@@H]1C=CCCCCC1	2000521089	QZXBOCOYPGCOOW-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)[C@@H](C)NC1CC2(CCCCCC2)C1	2000673602	XMBIMJDIWPVAIP-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCN(CC(C)(C)C(C)C)c1ccccc1C	2000903519	RUICPWOKPAZHQO-UHFFFAOYSA-N	233.399	4.504	0	10	BJAE	
CCC(=CC1CCC(CC)CC1)CNC(C)C	2002884133	QCLFFTDWDMBNCJ-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC1CCC1)NC1CCCCCCCC1	2003098828	ICXLHANAWIVCAH-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@@H]1CCCC2(CC2)C1	2003201859	ZBMKDPZCKCVNTE-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC2(CC2)C1)C(C)(C)C	2003213423	FHQYUZAJZVCYOJ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](c1ccsc1)[C@]1(C)C=CCCC1	2003320666	IXEMFJBTSOAYCG-HUUCEWRRSA-N	249.423	4.535	0	10	BJAE	
CC(C)CCN(C)[C@@H](C)[C@@H]1CCCC(C)(C)C1	2004161262	YGVZHDULNKGSGV-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCC1(C)CCC(O)([C@H]2CCCC[C@@H]2C)CC1	2004354235	WSIJEENSUAIZEK-FXQLRMTLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)C1(C)CCCCCCC1	2004937624	RNKKLHVZJCTJSH-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC(F)(F)c1ccc(C[C@@H]2C=CCCC2)cc1	2005606900	YIUBOIBNHYSWTK-GFCCVEGCSA-N	236.305	4.697	0	10	BJAE	
CC1=C(C)[C@@H](NC2CCCCCCC2)CCC1	2006928168	IUTGQIGHKDJMRA-INIZCTEOSA-N	235.415	4.578	0	10	BJAE	
CCC1CC(C[C@@]2(O)CCCC(C)(C)CC2)C1	2007760108	KSJHLDHDUAAOOV-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc2sncc2c1	2008089698	QZJQBQDMKNVRCK-LLVKDONJSA-N	248.395	4.677	0	10	BJAE	
C/C=C/CCC[C@@H](O)C1(C)CCCCCCC1	2009588325	JJAJNGDJLOYHJS-NHZBNJEXSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2012009744	SOVWBWBOHVCISD-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H]1C[C@H](CCC(C)=C(C)C)CC(C)(C)C1	2012055101	FXZJOIAFVHEIKK-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](N)(CCC(C)C)[C@@H]1CCCC(C)(C)C1	2013271740	VESSQHYKJGKTPZ-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC[C@](N)(CCC(C)C)C1C[C@H](C)C[C@@H](C)C1	2013272797	FNFYSDVUGZMFKA-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CC(C(C)C)C(C)C)NCC	2015278788	RCCIRYCNYYCBKW-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCCCCC1CC(N(C)C[C@H](C)C(C)C)C1	2015334935	QOAGODDIXPMGAA-FHERZECASA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1ccc2sccc2c1	2015385867	ITEASLHQXHGHAO-NSHDSACASA-N	246.375	4.766	0	10	BJAE	
CC(C)[C@@H](C)CC1(N)CCC(C(C)(C)C)CC1	2015393222	BEQLKVLUIKSYDH-HLIUYOAVSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@@H](C)[C@H](C)CC(C(C)C)C(C)C	2015407554	BTOHNLJJHCTDJC-HUUCEWRRSA-N	241.463	4.577	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CC1(CCC)CCC1	2015643507	CUPAYWCBFDNKCG-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@@H](C)NCC1(CC2CCC2)CC1	2015792940	LAEGVVNZBPPXJW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1(C(C)C)CCC1	2017146289	RBXJRJHMQCJGIQ-OAHLLOKOSA-N	239.447	4.748	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)[C@H](C)C(C)(C)C)CC1	2017653214	QHQJVHAAJADIOY-ZQDZILKHSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C)CC[C@H]1CC[C@H](CCC)CC1	2017732251	ZNZGASHSQQPBSN-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@H]1CC[C@H](C)CC1	2017776535	QDKQGRUTSDSJKZ-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H]1C=CCCC1	2018184619	IOXAAPFBBSGHPI-HOTGVXAUSA-N	237.431	4.633	0	10	BJAE	
CCCCN(CCC1CCCCC1)C1CCC1	2020635926	UAAUJYODNABVHL-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC(=O)c1cccc(-c2cc(C)c(C)s2)c1	2023981138	ZJZDNQJQKPJLFQ-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
CCCC1(C[C@H](N)CC2CC(CC)C2)CCC1	2025434498	BHZRUOLSYJCEMN-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCCC)[C@@H]1C[C@@H]1C	2026080272	FGLJHFBTYBZGLU-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC1CC(CC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2027590747	LTFCBUIBMZUQRR-UIEKQHFFSA-N	248.410	4.598	0	10	BJAE	
CC1CC(CC(=O)c2ccc(C(C)(C)C)cc2)C1	2027592024	ZFCYCECMCDBPRS-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C12CCC(CC1)CC2	2027856138	VRBGTIIGLDDYRD-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)CC1(C)CCCCC1	2027884444	BHPYQXSJHUNFAY-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@H](O)c2cccc(C3CC3)c2)CCC1	2028553213	WVIWSDRRAKWJRW-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CC(C)C(C(C)C)[C@H](O)c1cccc(C2CC2)c1	2028561187	XXIYQDZMSCNBHQ-QGZVFWFLSA-N	246.394	4.526	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccc(C2(C)CC2)cc1	2028592115	ZTEXYYXYIKWRBP-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@]12CCCC[C@H]1C2	2028629863	XARQGDZKFLUDLK-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@]1(C)C=CCCC1	2030354020	LGQKXPSHXPIPEX-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@]12CCCC[C@@H]1CCC2	2031754021	GGBIHOTTWYJGAX-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(CC(=O)C2CC3(CCC3)C2)C[C@@H](C)C1	2031827919	PQFPMYLHOOOGGU-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
C[C@@H](Nc1ccccc1C1(C)CC1)c1ccco1	2032242573	JJXUGJZWHVWHMS-GFCCVEGCSA-N	241.334	4.504	0	10	BJAE	
C[C@@H](Nc1cccc(C2(C)CC2)c1)[C@@H]1CC1(C)C	2032248391	YCWWGINFJGQKBI-DOMZBBRYSA-N	243.394	4.585	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@@]1(N)CCC1=CCCCC1	2037174262	FATYWGTWQWVNBX-DJIMGWMZSA-N	249.442	4.667	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CC[C@H]1CC1(C)C	2037274487	WXKBAALDHGQFKD-GRDNDAEWSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](C2(N)CC(C3CCCCC3)C2)C1	2037588287	UVLKRJNHNFIMHG-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)c2ccccc2F)CC1	2039382630	BTKQUFZGRFZYCT-LBPRGKRZSA-N	248.341	4.615	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C1CC2(C1)CC(C)(C)C2	2039424635	SIKPGGDDLMSZSE-TZMCWYRMSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CN[C@@]1(C)CCCC1(C)C	2041728251	HXXVKSCAYHMXGE-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@@H]1[C@@H](C)[C@H]1C	2043287115	OVHCDYPRXGCOLB-WTTBNOFXSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H](C)C1CC2(CCC2)C1	2043556368	GGRLHBBOJYCXQK-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CC(C)C[C@H]1CC[C@H]1NCC(C)(C)C1=CCCC1	2043671214	YQRAMJJNUUXDLH-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C[C@H]1CCN1C[C@@H]1CCC=CCCC1	2045310463	DBHMWEHYTAOWJE-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CC[C@@H](C)C2)cc1C	2045562307	RJHWRCGBKNPBBT-IAQYHMDHSA-N	244.378	4.621	0	10	BJAE	
CCCC1(C(=O)c2cc(C)c(C)cc2C)CCC1	2045569681	RIQNUNUCAZXJTF-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CC(C)[C@@H](C(=O)CCCC1CC1)c1ccccc1	2045674450	YTVCRKXBKAILTL-QGZVFWFLSA-N	244.378	4.576	0	10	BJAE	
CCN(c1cccc(C)c1)[C@H]1CCCC(C)(C)C1	2046571483	UHLBQCARYYLVEB-INIZCTEOSA-N	245.410	4.790	0	10	BJAE	
O=C(C[C@H]1[C@H]2CCCCC[C@H]21)C1CCCCCC1	2048467881	XQOQLWBSJJPIIL-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CC(C)C1CCC([C@H](C)N[C@@H]2CC=CCC2)CC1	2049419175	XIPGYQJEXGZZGT-ZGRYLRDCSA-N	249.442	4.536	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@@]1(C)C=CCCC1	2049998499	VYCZDLOLFRMDFI-SJORKVTESA-N	243.394	4.556	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H](N)c2ccc(C)cc2)C1	2050427800	TUDWITQPNMTKOJ-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC(C1CC1)C1CC1	2051399665	CQXTUDCHHWLDEQ-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2055209203	IFUWWQLCNYYSPS-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)c1cccc(C)c1	2056876536	REXJXXCPMUJYEU-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H]1C[C@H]1C(C)(C)C	2056883632	PKCINJALAKPWLZ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CCC[C@@H]3C[C@H]23)CC1	2057356154	BBXUPZQDQXUCPH-NCOXYXGASA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@@H](N)C2(C3CC3)CCCC2)CC1	2057608971	LKUMVKVVRKQMSQ-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)c1c(C)coc1C	2059176948	FODIBSPBMLCZSO-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(N)[C@H]2CCC[C@H](C)C2)CC1	2061117486	ZFGOHFXTHRXIOP-FSDCSDTHSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC[C@@]12CCC[C@H]1C2)C1(CC)CCC1	2061636697	DLKFVRVCIUGFTQ-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCCC23CC3)c(C)c1	2062018294	RGXZZCYERWARTN-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNC1CC2(CCCCCC2)C1	2062598217	QBLQTFJXGFXDMC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](O)(CCC[C@@H]1C[C@H]1C)c1ccccc1	2062604174	VFWYUSXAPPJLPX-INMHGKMJSA-N	246.394	4.501	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](NCC)CC2(CCC2)C1	2063629350	ZDBDZGIORDXYIO-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCCCCC1(CNCC)CC2(C1)CC21CC1	2064005534	QEYOKOXKLKBJMQ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CC12CCC(CC1)C2	2065276997	JPMORVRKLGXXFA-GWUWNPHMSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)C1(CC(C)C)CC1	2069515014	VTUQNOXQZYNQLD-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(N[C@@H]2CC[C@@H]2C2CCC2)CC1	2071788563	HNZIBKBCEKMNNS-OKEQZYBDSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC1CC2(C1)CC21CC1	2072237774	ZVEPROVPZLJSRX-RKHAHWSXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)c2ccccc2C)CC1	2072695184	FPCRFRYHFXSAAS-ZOBUZTSGSA-N	245.410	4.601	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CC[C@H]3CCC[C@H]3N2)CC1	2072813987	XZYNFXYXRAPVOP-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1C[C@H](C)c2ccccc21	2073293179	CODBSHQDQZLHPG-GRDNDAEWSA-N	245.410	4.793	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(C)c(OC)c1	2073350369	LQJNVTKOADHVLO-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CCCCN(Cc1ccco1)C1CCCCCC1	2076551921	CSPUHQLTBRRNPK-UHFFFAOYSA-N	249.398	4.605	0	10	BJAE	
CCC[C@@H]1C[C@H]1COc1ccccc1C(C)(C)C	2079807461	AVRJSLTWNKQRNY-KGLIPLIRSA-N	246.394	4.799	0	10	BJAE	
CCCN[C@@H](CC=C1CCC1)c1ccc(C)cc1	2080240914	KMVLGRDSVFHAKD-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)C)c1cc(C)cc(C)c1C	2082919673	SCZAAGQGVFIPJN-SUMWQHHRSA-N	247.426	4.555	0	10	BJAE	
CC1(C)CC(C[C@H](N)C2CC=CC2)CC(C)(C)C1	2082991391	PVMMFQNYENQHLO-HNNXBMFYSA-N	249.442	4.523	0	10	BJAE	
C=C=CCCN(C)CC1CC(C)(C)CC(C)(C)C1	2083003781	QMDLOZNFJFXTPI-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCCc1ccc(N[C@H]2CC(C)(C)C2(C)C)cc1	2084371838	ROYJLUNNTVFIJZ-HNNXBMFYSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)C=Cc1ccccc1	2086060982	RRZTVZHTTUFTCN-WBVHZDCISA-N	246.394	4.667	0	10	BJAE	
Cc1cc(Cl)cc(OC2CCC(C)CC2)c1	2212534257	XYHUQAOXUQTVOS-UHFFFAOYSA-N	238.758	4.606	0	10	BJAE	
CCC[C@H](C)C(CC)(CC)CN[C@@H](C)CC	2212597104	LVOGAYZEPXHKFS-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213278154	RSASOPHUKDGRKX-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213279576	IJYHVHQOBXIHIK-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C1CC1)[C@@H](N)CCCCCCC1CC1	2213581284	UWPJBDKLYBZJDP-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@H]1CC[C@H]1C	2214936341	WMRALTPSISNMBU-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC[C@H]1C[C@H]1CC	2215356301	CHLRTNPRIBUJQM-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(O)CCC[C@H](C(C)(C)C)C1	2216251519	FREYYEVCCAQJHF-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CCCCC(F)F)C[C@H](C)CC	2216449587	OFRIOIDGQCWTED-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)NC[C@]1(CCC(C)(C)C)CC1(C)C	2217152904	IHQKSNHUGKAOQK-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(=O)[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218334491	RSMMGYJTCJRUDG-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
N[C@H](C1CCCCCC1)C1C[C@H]2CCC[C@H](C1)C2	2218346050	LAWLGOJAMMGJKW-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CCCCCCC1CC1)C1CC2(CC2)C1	2218719910	CSRQTBAXJAOMKE-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)[C@H]1CC12CCC2	2218721839	VZXBOLXBJXUCJN-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(CNCCCCCCC2CC2)C=CCCC1	2218732787	UDUHYCTZMVULMA-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C[C@H](C[C@H](O)CCCCC1CC1)c1ccccc1	2220026947	DGEVDUCMPXLFEZ-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C2(C)CC3(CCC3)C2)C[C@H]1C	2221007126	ZOTILGSBMCGIBY-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)(NCC2CCCCCCC2)CC1	2221601363	NEYYCNFYBKXLHA-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](C1CCC(C)CC1)N2	2224118707	BSNYOBJNEJGETM-PXCJXSSVSA-N	243.394	4.548	0	10	BJAE	
CCCCc1ccc(C(=O)CCC(C)C)s1	2242604877	KLZNSSZRPOURSD-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CCCCC[C@H](CC)NC1CC2(CC(C)C2)C1	2246834699	CDDOGBXWEVKTMR-KXVRIMHRSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H](N)C1(C)CCCCCC1	2247308696	GXDQKAMMEGSHNH-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@]1(CO)CCC12CCC2	2247353414	CHRDEJHWBNOXIY-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
O=C(CCC[C@@H]1CCCC12CC2)c1cccs1	2247583607	LGSVSCRZGAQZSK-GFCCVEGCSA-N	248.391	4.681	0	10	BJAE	
CC[C@](N)(CCCCC[C@H]1C[C@@H]1C)C1CCC1	2248877453	GBAKGEXVBLBIRR-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cc(C)c(C)c(C)c1	2249491514	SAEUZYKGROWBLW-GOEBONIOSA-N	231.383	4.602	0	10	BJAE	
CC(C)C[C@H](C)Nc1cc(C2CC2)ccc1F	2250104279	KKKGIYLPDBIDBW-NSHDSACASA-N	235.346	4.550	0	10	BJAE	
CCCN[C@@H](CCC(C)(F)F)[C@@H](CC)CCC	2250358538	NKAOGMCPXKFNFZ-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@@H](CC)CCC	2250372342	PDZDNOFWYZTZPT-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)[C@H]1CC1(C)C	2250466477	FKSCWMVKDUNJPZ-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CCNC[C@@H](CC)CC[C@H](C)CCCC(C)C	2250490422	IYWBJILMSOOFSO-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCCNCC[C@@H](C)CCCC(C)C	2250526526	FBPCZLXVTXXIMF-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@]23CCCC[C@@H]2CC3)s1	2251122793	FCCAXTNVSKLTMG-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(CC[C@H]2CCCCC23CC3)C1	2253839113	LWYLDIWNNADBII-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC=CCCCN(C)CC[C@H]1CCCCC12CC2	2253855339	MYPWWTBZLZOCJF-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CN(CC[C@@H]1CCCCC12CC2)C1(C)CCCC1	2253860139	YGBMDBJNIPMOFT-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2CCC3(CC2)C[C@@H]3N)C1	2253943231	DIIQYUWUZQWEEW-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CC2(CCCC2)C1)[C@H]1CC[C@@H](N)CC1	2254079470	RXZYRQLEIAPANW-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@@H]2CCC23CCC3)CC1	2255009565	PIQNZNXXNRQKLG-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](C)(CC[C@H]1CCCC12CC2)CNC1CC1	2255259069	MOEBJFAWVLWLEU-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)C[C@@]12CCC[C@@H]1C2	2257247382	KENZADOJVRZAMT-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1cccc(C(C)(C)C)c1	2257908844	UFHKXJMFUXYFHA-KGLIPLIRSA-N	245.410	4.832	0	10	BJAE	
N[C@H]1C[C@@H]2CCC[C@H](C1)[C@H]2CCCCCC1CC1	2258101320	FSSFEHZYEZUXEV-DSPLQEQRSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(NC2[C@H](C)CCC[C@H]2C)cc(C)c1C	2258241001	CQISHQHKXNYNGU-VXGBXAGGSA-N	245.410	4.848	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCC[C@@]2(C)CN)CC1	2258807469	AYKFFUXAUNSASJ-ZOBUZTSGSA-N	249.442	4.668	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)CC(C)(C)C1CC1)C2	2259576962	QCJUCKGWKVJMRO-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1(CNC[C@]23CCC[C@H]2CC3)CCCCCC1	2260532318	DJUWQRRWMYUUJH-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@]23CCC[C@H]2CC3)CCC1	2260582487	JXKSHGIOGBRZSB-XJKSGUPXSA-N	248.410	4.742	0	10	BJAE	
CC1CC(CCC(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2261505533	JVMYMGCGMJKMBD-YTNKCCKRSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CCC(N)([C@H](C)CC2CCC2)CC1	2298907028	DUZWERPKYDJDCJ-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@@H]1CC[C@@H]1C	2300679844	XONTWEJULAMSRW-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@@H](CC1CCCCCC1)NC	2300876154	CRCFHFMRCQNVSK-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(=CC[C@@H](N)CCC(F)F)CCCC(C)C	2300916122	KPDORSZCMKZMKA-CYBMUJFWSA-N	247.373	4.522	0	10	BJAE	
CCC(C)=CCc1cccc(C(F)(F)F)c1C	2300928908	KGMXFYGUBVQULT-UHFFFAOYSA-N	242.284	4.913	0	10	BJAE	
CC(=CC[C@]1(O)[C@@H](C)C[C@H]1C)CCCC(C)C	2300974680	MWGXHQJYBCTQJL-MUJYYYPQSA-N	238.415	4.556	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@]1(N)CCCCCCCC1CC1	2301032628	XPSRMQJHWVIPRP-MIFYACCESA-N	237.431	4.501	0	10	BJAE	
C[C@]1(C(=O)CC2CCCCCC2)CC=CCC1	2301149116	BVIMZOFUSAXIJE-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)CCC1=CCCCC1	2301921782	RNGCKXROVGHDIU-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@H](C)[C@@H](C)C(C)C)CC1	2301964817	NMGRXVZDPFCVOF-XGUBFFRZSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1C(C)(C)C[C@]1(N)CCCCCCC1CC1	2302127122	IFLKRZYNSQWTHQ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@@]2(C)CC=CCC2)n1	2302267858	LDAVLGYKNIGFSZ-ABAIWWIYSA-N	247.407	4.654	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](CCCC2=CCCCC2)C1	2302344374	FJQZMJUEELPBSY-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CCNC[C@H](C)[C@@H](C)CCCC1=CCCCC1	2302358229	DKLULRLNPARANL-GJZGRUSLSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@@H]1CCC(C)(C)C1	2302691919	VLNSJYZAKNPPAL-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC(F)(F)CCCC(=O)C[C@H]1CCC(C)(C)C1	2302758625	OSKDRQLCDKQUQC-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCc1cscc1NC[C@H]1C[C@@H]1C1CCCC1	2302888500	ZLDMYQDKWDMTNP-ZIAGYGMSSA-N	249.423	4.549	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303454248	LERYQQJGWHFRRF-ZFWWWQNUSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCC(C)=C(C)C1	2303593948	AZKXAGFNDJQKJL-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
Cc1ccccc1OCC[C@H]1CCC(C)(C)C1	2304432290	TUSINVKTAIIAHG-CQSZACIVSA-N	232.367	4.590	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@H]2CC2(C)C)C1	2304434375	IOPCRRBPSSVYQM-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCC[C@H](N)C2)C1	2304446290	HFZLCFHXRQPLQG-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](NCC)c1cc(C)ccc1C(C)C	2307501501	QCBSZPNGZJLFPV-INIZCTEOSA-N	233.399	4.569	0	10	BJAE	
Clc1c(O[C@@H]2C=CCC2)ccc2ccccc12	2307647124	DCTOFZBIVVPQAI-GFCCVEGCSA-N	244.721	4.591	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CCC)C1CCCC1	2307825515	BTQIGICSRYDHBD-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@H](CC)CC(C)C	2307911601	WRKLMAFMAWCZFC-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
C1CCCCC(N[C@H]2CCC[C@H]3C[C@H]32)CCCC1	2308363589	RAOARTFZTYCKJC-UAGQMJEPSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CCCC(=O)[C@@H]1C[C@@H]1C[C@H]1C1CCCCC1	2311948191	IZLYNSYZXZXLJA-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NC[C@@]12CCC[C@@H]1CC2	2313314342	BTVWFGNOJGTVIY-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@@H]1C1CC1)CCCC(C)C	2316490528	NWOLAKMPHZMMST-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@@H](NCCC)C(C1CCC1)C1CCC1	2316531899	KDQUBMUZKGPIMQ-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CCCC1=CCCCC1	2318546682	VIBVAPCXGUCSBN-IAGOWNOFSA-N	249.442	4.955	0	10	BJAE	
CCc1cccc(C(=O)[C@@H]2CC[C@H]2C(C)(C)C)c1	2320153445	HPIHYRWHDYANIS-HUUCEWRRSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](N)CCC1=CCCCC1	2320216479	AEEIKSKUBKJBLZ-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)[C@@](N)(C[C@@H]2CC[C@H]2C(C)(C)C)CCC1	2320251939	DSXGLUVTGZRFLY-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CC2=C[C@H](O)CC(C)(C)C2)CC1	2320409751	XTAKXKUXDAZIQN-HOCLYGCPSA-N	248.410	4.620	0	10	BJAE	
CC1=C(C)C[C@H](CNc2cc(C)ccc2C)CC1	2320412365	OCHVLCPIIGLJCW-MRXNPFEDSA-N	243.394	4.852	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@]23CCCC[C@H]2C3)CC1	2320413699	UJBBBHGSQRAHRG-HLLBOEOZSA-N	246.394	4.662	0	10	BJAE	
O=C(CC1=CCCC1)c1cccc(C2CCC2)c1	2320657599	UFSVTPOBZAGTET-UHFFFAOYSA-N	240.346	4.637	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)[C@H]2CC2(C)C)c1F	2327807582	IPZNTYQYZNAJRW-WCQYABFASA-N	249.373	4.796	0	10	BJAE	
CSc1ccc(NC2[C@@H](C)CCC[C@H]2C)cc1	19994523	UVEBOJVWUQUGGT-ODOQXGPZSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)CC(C)(C)C)cc1	21055323	QNWJQWKHWFGWPH-DOMZBBRYSA-N	233.399	4.636	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H](C)CCC(C)C	21791768	CAWRAAUPODZPQL-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2CCCCC2)c(C)c1	37354221	KNGFBWIPBIBHDI-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](NCC)C(C)C	71083971	DYBHUPXWLMQRRF-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cccc(C)c2C)C1	71106012	OHXXNEKMEMICNW-HUUCEWRRSA-N	231.383	4.684	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2cccc(Cl)c2)[C@H](C)C1	82857290	XHZNOSSNHVUORR-JTNHKYCSSA-N	237.774	4.577	0	10	BJAE	
CSc1ccccc1N[C@@H]1CC[C@@H](C)C[C@H]1C	85097258	ZYZGFIZQFWIEAB-JHJVBQTASA-N	249.423	4.645	0	10	BJAE	
CCCCC1CCC(N)(CC2CCCC2)CC1	86566128	STRSYKLJGGWEEV-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCNC[C@@H](CCC(C)(C)C)c1cccc(C)c1	93125227	RBKPXIUELCROOE-MRXNPFEDSA-N	247.426	4.514	0	10	BJAE	
CCC1CCC(N[C@@H]2CCCCC2(C)C)CC1	94279101	AFWRUZAQLZPBNG-YMAMQOFZSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CS[C@@H](C)C2)cc1	94471359	DOVRFPIUUHGCFK-SLEUVZQESA-N	249.423	4.506	0	10	BJAE	
CCCCCC[C@@H](NCC)C1=CCCCCC1	97468745	VSOIFCCFHPBZCZ-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)c1ccccc1C	109697076	DNMNDJDKKOSGMA-RDJZCZTQSA-N	248.410	4.809	0	10	BJAE	
CCCC[C@H](CC)CC1(CNC)CCCCC1	110199893	OHHPRWRBHGDBNZ-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)CCC1(CNC(C)(C)C)CCCC1	110201973	YLHPJGUTKAJTAV-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCCc1ccc2c(c1)C(=O)CC(C)(C)CC2	110268282	NXEBFKQOUOAQAD-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CCCCCCc1ccc(C(F)(F)F)cc1	118009843	YGFITUDGHJABTG-UHFFFAOYSA-N	230.273	4.828	0	10	BJAE	
CCCCCC[C@H](NC)c1coc2ccccc12	122922157	FZFUXKURTFNTKX-HNNXBMFYSA-N	245.366	4.664	0	10	BJAE	
CCCCCC[C@@H](C[C@H](C)CC)NCCC	124820763	GXRYNKVVSQIUBR-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H](C)CCC	133442972	VBKAJKUDVNTFLY-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@H](N)CC[C@@H]2C	136911069	REBWOPMSCJCNBZ-BLLLJJGKSA-N	245.410	4.831	0	10	BJAE	
CCCCc1ccc2c(c1)[C@@H](NCC)CC[C@@H]2C	136912130	OUJYCNMUNSCHTR-GUYCJALGSA-N	245.410	4.577	0	10	BJAE	
CCCNCC1(CC(CC)CC)CCCCC1	149094547	AOMQUKXHFIYWOZ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@@H]1CCCC(C)(C)C1	149576612	XKCRYKPKPYUYPW-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(F)cc1-c1c(F)cccc1Cl	160402280	BUYJOQUWDLNDFY-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1C)C1(C)CCCC1	163541534	FYBORBKRCBUOKS-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCCC)c1ccoc1	164949007	ZMBZENXCNYGKHJ-UKRRQHHQSA-N	237.387	4.537	0	10	BJAE	
CC[C@H](C(=O)[C@H]1CCC[C@H](C)C1)c1ccccc1	166240936	CXWXXHWVBIOQBO-BPUTZDHNSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)c1cc(C)ccc1C	166801453	OHMCZAPWKCICCS-VYDXJSESSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)(C)C)C1CCCC1	167514475	FZZXBFONJIWSCC-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)c1cccc(F)c1Cl	167954139	SIMOPUGBQNDAFT-UHFFFAOYSA-N	242.721	4.632	0	10	BJAE	
CC(C)c1ccccc1OCC1CCCCC1	203492260	SNGOQFAEEFYDFY-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
CCCN[C@@H](CCC)[C@H]1CCCC(C)(C)CC1	212524240	GBHTZVXYJJRLSI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@@H]1C(C)C)c1ccco1	214894587	OUQOFOVOMMVKBD-QLFBSQMISA-N	249.398	4.535	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@H](Nc2cccc(Cl)c2)C1	221641813	DIMKRGBNZWKYGN-GYSYKLTISA-N	237.774	4.577	0	10	BJAE	
Clc1cccc(-c2ccccc2C2CCC2)n1	229645277	WDYDPNXNUQTMEA-UHFFFAOYSA-N	243.737	4.670	0	10	BJAE	
CCC[C@H](CC)Nc1cccc(O[C@H](C)CC)c1	233349201	GAAOUKHRYLDTPT-KGLIPLIRSA-N	249.398	4.855	0	10	BJAE	
C[C@@H]1CCC[C@H](c2c[nH]c3ccc(F)cc23)C1	235358542	MZLFMVAKYJQRHR-MNOVXSKESA-N	231.314	4.601	0	10	BJAE	
CCC[C@H](N[C@H]1CC[C@H](C)CC1)c1ccccc1	253145071	ZKIZHYLDXFFNTR-XIRDDKMYSA-N	245.410	4.696	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H]2CNc3ccc(Cl)cc32)C1	300243648	QOJGCZZEESSRGO-JTNHKYCSSA-N	249.785	4.675	0	10	BJAE	
CCCC[C@@H](CC)CNc1cc(OC)ccc1C	302269660	GYSUCPKVEVVBMN-CQSZACIVSA-N	249.398	4.632	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H](C)CC(C)C)CC1	305911461	FSYGKGDUKLRYOX-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CSc1c(Cl)sc2c(C)cccc12	307345809	OJOWCBUDEKOZNZ-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1ccc2[nH]c(C(C)(C)C)c(CC)c2c1	308007001	DXMANHFZCBEYAN-UHFFFAOYSA-N	229.367	4.590	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](CCCC(C)(C)C)NC	308077707	XFXCYALHVXMLAH-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1sc(C)cc1C	308115717	UUVORAPXYICZKS-GFCCVEGCSA-N	238.396	4.620	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CCC2(C)C)cc1	310062860	AGLTZPMUFYRSRI-AWEZNQCLSA-N	231.383	4.585	0	10	BJAE	
CCCN[C@H](C)[C@H](CC1(C)CCCC1)C(C)C	310305780	VITKNQJDADQFBG-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@H](CC)c1cccc(C)c1	310619981	AAOASCYELZSBCC-SJORKVTESA-N	247.426	4.513	0	10	BJAE	
CC1(C)CC[C@@H](N[C@H]2CCCC23CCCCC3)C1	313038135	IPTONXHEMQCSCL-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](CC)N[C@H]1CCCC12CCCCC2	313098776	FUWDZBWTMUSEKN-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CC(C)(C)CCCN[C@H]1CCC12CCCCC2	313458542	IFPPAUDRMXPLCW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCCC2)CCCC[C@H]1C	317239625	AFBBUDQYMISNET-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)c1cccc2ccsc12	320170150	YVORTPXSRNAAGU-MISXGVKJSA-N	247.407	4.583	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)c1)[C@@H]1C[C@H]1C	321033373	DEQVKADCZWLMGR-WQVCFCJDSA-N	231.383	4.657	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CCC[C@@H](C)C2)c1C	380944502	NJMZMRNJEKHVJC-IUODEOHRSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cccc(C)c2F)cc1	381010970	RQQAWRLMUPMJLK-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CC[C@H](Nc1ccsc1Cl)C1CCCC1	387562100	YEBUJIJULRGDEF-JTQLQIEISA-N	243.803	4.782	0	10	BJAE	
CCc1cccc([C@H](O)C2(C)CCCCCC2)c1	394678138	VVMNMVMFEVBRPY-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CSc1cccc(N[C@@H]2CCCC23CCC3)c1	394720228	DWPBQDAHOVJPNY-CQSZACIVSA-N	247.407	4.543	0	10	BJAE	
CCOc1ccc(C(F)F)c2sc(C)cc12	396245987	PKNCCVFTJMASQZ-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@H](C)C(C)(C)C	399255512	GWKNCROKQMZDQR-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CC)CCC(C)(C)C1CC1	405997811	OJQKOJWDYAFIGX-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CSc1cccc(NCC2(C(C)C)CCC2)c1	687268418	YVFORLIUERAIBK-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CCC1([C@H](O)CCCCCC(C)C)CCC1	687587076	HHCARCHBGFLXSC-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccc(C2CC2)cc1	690077578	COPAGEJPVJPUME-LRDDRELGSA-N	229.367	4.555	0	10	BJAE	
CC[C@H](Nc1ccc(C2CCC2)cc1)[C@@H]1C[C@H]1C	690091365	AFDVHLCZTTUHRK-JLZZUVOBSA-N	243.394	4.801	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@@H]1CCC[C@@H](CC)C1	692060659	OEXBBYYGEFHNPN-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](C)C1CCCCC1	695061139	MRBCHVYHKVPFTK-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC(C)C)[C@H](C)CC1CCCCC1	695099593	KXJJRCIWDLYHJT-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C1CCCCC1)C1CCC2(CC1)CC2	695647299	LZDKORULXYJGFB-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@H]2CCCC3(CC3)C2)C1	695914673	CVHLTAAKSBRKMU-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H]1CCC[C@H](C)C1	696251611	YYYRTPNKYYCSBD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)C)CCC(C)(C)CC	696642905	BPUBZTAAIKMTRE-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@H](CCC(C)(C)CC)C(C)(C)C	696676973	GQUKIZUKEKOUBA-AWEZNQCLSA-N	241.463	4.865	0	10	BJAE	
CCCN[C@H](CCCCC(C)(C)CC)C1CC1	696705549	XJTZSUHPKZOJDO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H]1CC[C@](C)(CCC(C)(C)CC)C1	696705568	XRLVRKUDQJNKDL-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CC1=CCCCC1	697771150	IFLJKJIPEKPUAQ-QGZVFWFLSA-N	249.442	4.992	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@@H](N)C[C@@H]2CC=CCC2)C1(C)C	698988946	OYJREONWIUATPB-PNBKFKSVSA-N	249.442	4.523	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCC[C@@H](C(C)C)CC1	701047633	ICMGAYDFNQUGFT-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)C(C)(CC)CC	701242754	FMMWNULBAXKZCJ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C1(CC(C)C)CCCC1	701253089	OKFQPEWJCGINQH-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H](CC)CC(F)F	701538895	NUTOPIWTVWOVHY-FRRDWIJNSA-N	249.389	4.602	0	10	BJAE	
CCC(CC)C[C@]1(N)CCCCC[C@@H]1C(C)C	704461828	UTFLVBGYWLXYLF-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@@H](C)CC(C)(C)C)c1	704566644	CFSUXWKLSRMAPT-BBRMVZONSA-N	248.410	4.916	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@H](C)CC(C)(C)C)c1	704566651	CFSUXWKLSRMAPT-CJNGLKHVSA-N	248.410	4.916	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)[C@H]1CCCC2(CC2)C1	710134954	ILJPLLYXYHYVNO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1cc2nc(C(C)(C)C)cc(Cl)c2s1	710819705	CUYGGTGQEXIXHH-UHFFFAOYSA-N	239.771	4.556	0	10	BJAE	
CC[C@H](C[C@H](O)[C@@H]1CCCC[C@H]1C)C(C)(C)C	711187825	CBJXENOJDHRTEX-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCC[C@H](C)C(C)(C)C)C(C)C	711225634	MLNZYIHZDPKWLQ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCC[C@]1(O)C[C@H]2CCCC[C@H]21	712384016	IIFWQPJVVUIYGF-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CC(C)(C)CC[C@H]1C	713055673	BFJUIPXCKGTKSE-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)CC(=O)[C@]1(C)CC[C@H](C)C1(C)C	713350215	AWZICGNRMVQJKE-LRDDRELGSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C\CCC[C@@H](C)c1ccccc1	713653472	BEINWSKJGUBKSU-ZRUQZJFASA-N	200.325	4.703	0	10	BJAE	
CCCC1(CN[C@@H]2CC[C@@H]3CCCC[C@H]32)CCC1	714268014	MCRWPDRNXYZTQR-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	716892720	GCFAKVVQQQKRAI-LZWOXQAQSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@H]1NC1CCC2(CC1)CC2	717484550	CMPQVZLTSAJUBM-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](CCC2CCCCC2)[C@H](O)C1	717488659	LVYLNGKQRDJOID-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CCC(C)(C)CC1=O	717533901	PQKHDGUNCBNGOH-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCNc1cccc2c1CCCC2	718554719	XNTLMWGLZIRRED-UHFFFAOYSA-N	243.394	4.724	0	10	BJAE	
CC(C)=C(C)CCNC(C)(C)CC(C)(C)C	718602725	DEAPRSJJWPYNOD-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1CC1(C)C	718652902	PCKDSKJZKYXCQR-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CC2)C1(C)CCCCC1	722629762	CTTNZAAJLLVOET-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C[C@@H]1CC1(C)C)c1ccc(C(C)C)cc1	722658175	JKNKIFAPILMKBF-CVEARBPZSA-N	245.410	4.507	0	10	BJAE	
CC(C)[C@@H](C)SCc1ccc(Cl)cc1F	1165744432	HJJMYPOWYXEWJF-SECBINFHSA-N	246.778	4.757	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)[C@H](C)CC(C)(C)C	1901720070	IVCOTHUXOJPVAM-UPJWGTAASA-N	226.404	4.556	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1sccc1CC	1905452876	FOJZCTVTAJKVBL-WCQYABFASA-N	239.428	4.527	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H]1CCCCCCCC1=O	1906884806	KIVOTILBCLZZDQ-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@H]1CNC1CC2(CCCCC2)C1	1912698093	ZTKPVNJUMFZXAX-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@@H](O)C1CC2(CCCCC2)C1	1912725971	FWSUUYZYGZGSIC-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@@H]1CCCC(F)F	1913592717	AKMMCADKMQCHLP-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@]1(N)CCC2(CCCCC2)C1	1915907913	JWNZNSLSJMZRFN-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CCC[C@@H]2C)C=CCCC1	1916565974	VOEVKZFBGQBKSI-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CC1(C)CCCC1	1919947391	JKYQNHOXPSDMII-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@](C)(O)Cc1ccc(C)c(C)c1	1919976659	WYEAAHUJHQNMRK-QGZVFWFLSA-N	248.410	4.567	0	10	BJAE	
CCC(CC)CCNCCC=Cc1ccccc1	1926144142	JFQFUOVZDHPDBC-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
FC(F)=Cc1c(Cl)ccc(Cl)c1Cl	1927565215	YYQPNKGJJIJGIY-UHFFFAOYSA-N	243.467	4.884	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@@H](CC(C)C)C(C)C	1936207683	ZZRXOWYVGGAKLE-KBPBESRZSA-N	226.404	4.556	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@@H](C)CCC(C)C	1937163050	JGMRRZLTMUSLFE-DZGCQCFKSA-N	227.436	4.602	0	10	BJAE	
Cc1cc(Cl)cc2c3c([nH]c12)CCC(C)(C)C3	1941016377	NNYPQXMWAZFDCG-UHFFFAOYSA-N	247.769	4.645	0	10	BJAE	
CCN[C@H]1CCCC[C@@H]1CCCCCC1CC1	1941688021	RADWZMRXCCYRSH-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCNCC1([C@H](C)CCC(C)C)CCCCC1	1942656922	MZFPIGBVOIFPEE-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC=C[C@H](C)N[C@H](C)c1cc2ccccc2s1	1947056377	CQBVKKUFJRFTFL-NWDGAFQWSA-N	245.391	4.517	0	10	BJAE	
Cc1coc(C)c1[C@H](N)CCCCCC(C)C	1947529875	QWBGQKQAZPWWQO-CQSZACIVSA-N	237.387	4.503	0	10	BJAE	
CCCC[C@@H](CCCCC1(C)CC1)NCCC	1948424736	FONZUNPAEAKBHU-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](CCCCC1(C)CC1)NCCC	1948424737	FONZUNPAEAKBHU-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H]1CCCC[C@@H]1C	1948931511	YBJQLNOODDUKMY-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CC(C)(C)C(C)C	1949006453	KNJJZHNPSDJQPY-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccc(C(F)F)cc1	1950093885	DMNUYVPHWKSECL-GFCCVEGCSA-N	239.309	4.615	0	10	BJAE	
Clc1cc(Cl)cc(CCC2CC=CC2)c1	1962083368	ORCSJKZLKDBTAW-UHFFFAOYSA-N	241.161	4.892	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@H]2CCCC23CCC3)CC1	1967700795	ZYCYNJICPLORPK-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CCC1CC1)NC[C@H]1CCCCC12CCC2	1967865208	PFVYPAACHNGUMD-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1)C1CC2(CCC2)C1	1968266341	YIRNBWJKCIYXHB-NSHDSACASA-N	249.785	4.721	0	10	BJAE	
Fc1ccccc1NC1C[C@H]2CCCCC[C@@H]2C1	1968276514	CPYKRJBXNIVNDX-CHWSQXEVSA-N	247.357	4.597	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1CCCC2(CC2)C1	1968350810	BKNPEMZFFCIPQY-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1C[C@H](C)[C@H]1C	1968602155	GSUWTNJCHAQOJS-WOSRLPQWSA-N	231.383	4.575	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H](C1CCCC1)C1CCC1	1971536264	DREAJCDFPLDMPB-DLBZAZTESA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(N[C@H](C)[C@@]23CCCC[C@H]2C3)C1	1973100486	RLPQNBQFFHYQCP-XRQWDYAESA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CCCCC2)C1)[C@H]1C[C@H]1C	1973864352	VFWKUZYUGCNDEP-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CC(NCCC23CCC(CC2)C3)C1	1973948041	BPQGAIHOBUMHHO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)c1ccsc1C	1976010426	KSWFPRXGHIXNFW-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@@](C)(CCC(C)(C)CC)CNC	1978632009	IFEWHILGPDNRPX-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CCCC[C@@H]1CC	1984574608	CNLUTHQTKJOVQA-RDJPRVRMSA-N	222.372	4.518	0	10	BJAE	
FC1(F)CC[C@H](CC2CC(=C3CCC3)C2)C1	1985530288	FXLZDSHRIUPJDP-SNVBAGLBSA-N	226.310	4.702	0	10	BJAE	
CCCCC[C@@H](CC)[C@@H](NCCC)C(C)C	1990094468	WDYIXCRCVVFJSP-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](O)C2(C)CCCCCC2)C1	1996270398	OCGLWNYMTHRVLZ-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@H](C)C1CCCCC1	1996610410	IYQINFXGUHLOQZ-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(O)CCCC2(CCC2)C1	1997047823	WYBQDQMCPAHIOU-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@@]1(C)CC=CCC1	1997554792	UUJWSNWFCMUMAM-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(N[C@H](C)CC1=CCCCC1)C(C)C	1998381474	WVPKCKDSRGBOKB-CQSZACIVSA-N	237.431	4.536	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@H]2CCCC2(C)C)C1	2000103145	YOSUFTIWVXRMOY-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C1(C(C)C)CCC1	2000373592	RXGIYSPUNSYTIS-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H]1C[C@H]1CC)C(CC)(CC)CC	2000375269	ALAILPDZIZNHFW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCN(CC(C)(C)C(C)(F)F)[C@@H](C)CC	2000899879	HBSQLNHSBOJPRB-LBPRGKRZSA-N	249.389	4.568	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1CCC12CCC2	2001842899	BVEZKSBTZJEIDA-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@H]1CC[C@H](C)CC1	2003066567	DVRVIHMVJQKSLM-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCCCC[C@@H]1O	2003098975	JARAGIDHMLITCT-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)[C@H]1CC[C@H](C)CC1	2003104551	WKXVIEWWENKMKA-FPCVCCKLSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCCCCCC[C@H]1O	2003115361	AGJDGXYCQUQYFG-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CC1(C[C@@H](O)CCC2=CCCCC2)CCCC1	2003177566	UTILGDHRUYONFU-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C(CC)(CC)CC	2004227562	SVIPHPISJOQTGB-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC23CC3)c(Cl)c1	2005527002	IYNPOAQUWBRBCD-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CCCCC23CC3)c1	2005535227	CUEXSMAVRYHAAR-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CCC[C@@H](CCC)CC1	2009591690	IZAICHUDSDSNEK-BYQDXSGLSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@@H](O)c1cc2ccccc2s1	2009593998	SHHRNBLNWXVRLO-CYBMUJFWSA-N	246.375	4.681	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1CC[C@@H](C)C1	2009594024	DITRGGHWZDHHJL-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@]1(C)CC1(C)C	2009598548	PBIOJXBJUCICES-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H]1CCCC[C@H](NCCC)C1	2009615716	BHEQCRGCIKKQKH-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@H]1CCC(C)(C)C[C@H]1NCC	2009618787	FLGQLKKKWNGGON-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@H](CC)C(C)(C)C)NC	2009635134	LJSTYGDENKSKAX-MMCPSDEHSA-N	239.447	4.783	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](O)CCC(C)(C)C)CC1	2010712223	HIEUJHZGAZGJNN-UKRRQHHQSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@]12CCC[C@@H]1C2	2011009824	BEFUYZGLLZMVHC-SQWLQELKSA-N	236.399	4.742	0	10	BJAE	
Clc1ccc(NCC2C[C@H]3CCC[C@@H]3C2)cc1	2011968382	BJEMAASZAJRCGQ-CHWSQXEVSA-N	249.785	4.578	0	10	BJAE	
CC[C@H](CCC(C)C)NCCC(C)(C)C1CC1	2013264839	QGONLEYYPWALJH-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)[C@H]1CCC1(C)C	2014886009	VEVRHFNGPWXNMJ-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)CC1(C)CCCC1	2015276613	ZHWNBLVQPPFKAY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](O)CCC(C(C)C)C(C)C	2015341200	YGRLZGNVWVTQLC-OAHLLOKOSA-N	242.447	4.882	0	10	BJAE	
CC(C)[C@H](C)C[C@](C)(N)C1CCC(C)(C)CC1	2015410606	DEJNPQSOFHUMFS-CJNGLKHVSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1(CC2CC2)CC1	2015749978	HMZOBDMZCCPLGK-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@@H](C)CC(C)C)CC1	2017722227	FCBUSRBISVBEBP-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC(CC(=O)C[C@@H]2CC2(C)C)CC1	2017775462	CDFDLTHPKZMFPX-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](CCC(C)(C)C)NCC)CC1	2018995413	ONGBVPUUUHQMBU-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@H](C)C1CCCCC1	2019233323	VQAPEYHEUWMXKF-HOCLYGCPSA-N	239.447	4.713	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@@H](C)C1CCC1	2019355979	YUAJXCKBYCQHNB-GDBMZVCRSA-N	239.447	4.713	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H]1CCCCC[C@H]1C	2019406188	DIAWAZDIWJBHMK-PMPSAXMXSA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@H](CC1=CCCCC1)NCCC	2020969011	YEQJBRCPWNQVBS-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
O=C(c1ccsc1)[C@H]1C[C@H]1C1CCCCCC1	2022417456	MWXFRPFVTXSBSQ-KBPBESRZSA-N	248.391	4.537	0	10	BJAE	
CCC[C@@H](C)[C@@H](CCCCC(C)(F)F)NCC	2023297005	NAOMHVODGOEGFS-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H]1CC[C@@H](CC)C1	2025611943	GHUNUCORLBYYDK-OWCLPIDISA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	2026073446	HOQXBINGCKIHQM-YXWQFLTLSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC1CC2(CC2)C1	2026139986	BLZFKINGYLTBSB-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@@H](C)C(C)C)NC	2026164770	WCGJWLIZYFIMQZ-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
c1sc(C23CCC(CC2)C3)nc1C1CCCC1	2026598953	UGNDYGJVNQIQOW-UHFFFAOYSA-N	247.407	4.632	0	10	BJAE	
CN[C@H](CC1=CCCCC1)CC1(C)CCCCC1	2027301915	OIWABOMBLXAFEA-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C[C@@H](CC1(C)CCCCC1)[C@@H](O)c1ccccc1	2027316900	OGNXMPZCYMYAGB-GOEBONIOSA-N	246.394	4.717	0	10	BJAE	
C[C@H]1CC[C@@H](C)[C@H](C)[C@@H]1NCCC1=CCCCC1	2027793643	ODGXKLYONPSUNU-WBTNSWJXSA-N	249.442	4.537	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CCN[C@H]2CCCC[C@H]21	2028634886	VQVSJYBNOGBSPG-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(CC2=C[C@H](N)CC(C)(C)C2)C[C@H](C)C1	2031823021	CJTDBKYKJRJZLN-IOASZLSFSA-N	249.442	4.523	0	10	BJAE	
Cc1ccc(C(=O)C(C)(C)C2CCCC2)c(C)c1	2032297087	RDQMVEOQBJTHCB-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H]1CCC(C)(C)C1	2033379335	PYAJYBPSPDIZTD-CQSZACIVSA-N	244.378	4.648	0	10	BJAE	
CCCC1(CNC23CCC(CC2)C3(C)C)CCC1	2033421288	JMTJUDBCSBESPG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CNC2(CCCC2)[C@@H]1CCC1CCCCC1	2033535017	MYFZNFCCDNCLDZ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(=CC(C)(C)C1CCCC1)CNC1CC1	2034040845	AOCJQSZFFVYIOP-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc2cccnc2c1	2034180262	FJHSKKHCDMTBEA-ZDUSSCGKSA-N	242.366	4.616	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CC[C@H](C)[C@@H]1C(C)C	2035406291	AUKARJYBRZPMHP-XZJROXQQSA-N	249.373	4.617	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCCCC12CCC2	2035887773	QRKUDKHTHMVNDC-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCCC12CCC2	2035891125	JCXUZRLGTBSQFN-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
NC(C1=CCCCCCC1)(C1CCC1)C1CCC1	2037074120	BNBVTOILCRIRGN-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(C2CC3(CCC3)C2)C1	2037135487	KHNMKZYSZTWTMY-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)CCC2=CCCCC2)C1	2037171788	OEMPCHVFXBMUPZ-JQFCIGGWSA-N	247.426	4.587	0	10	BJAE	
N[C@]1(CC2CCC=CCC2)CCCCC12CCC2	2037207548	ZRDCZDBMQVEUHF-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C[C@@H]1C=CCCC1	2037304785	INKRUAGGAVVMSH-ZMSDIMECSA-N	247.426	4.587	0	10	BJAE	
C[C@@](O)(CC1=CCCCCCC1)c1ccccc1	2038171250	OBWWQDCUAWCJGC-QGZVFWFLSA-N	244.378	4.565	0	10	BJAE	
CC1CCC([C@](C)(N)CC2CCC=CCC2)CC1	2040651815	VCGIYVOKNRTWKL-BDVYOWHSSA-N	249.442	4.667	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cccc(C2(C)CC2)c1	2040719070	JIYZIEUJOLSXPU-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)C1CC=CC1	2042016288	IPZRXCKJABZFLK-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H]1C)[C@@H]1CC=CCC1	2042022099	OATRKBHVEXCKRK-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCCCCC1CC1)C1CC=CC1	2042024766	OXWSBVXSHXOPOI-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1CCC(NC[C@]2(C)CC=CCC2)CC1	2042069928	OTEQUIFVCLQLPL-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)[C@H]1C=CCCC1	2043190312	IKEZTXYZRVQOBX-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1[C@H](N)C[C@@H]1CCC=CCCC1	2045306014	UZODFUIHMGHXBV-NVXWUHKLSA-N	243.394	4.521	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1[C@H](N)C[C@@H]1CCC=CCCC1	2045321197	SZLZZAFBMDFSPT-WCXIOVBPSA-N	249.442	4.523	0	10	BJAE	
CN([C@H]1CCCC(C)(C)C1)[C@@H]1CCC12CCCC2	2045525520	VIJWJMQPFNJGNJ-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C[C@H]1CC12CCCC2	2047061714	HWVOQZDLAXKMDX-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@H]1CCC12CCC2	2047927861	GNKQJAVBWGAPJF-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C[C@H]1CCC12CCC2	2047931121	CNVJHRRFTXTOFX-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)CC1(C)CCCC1	2049805333	XRMMCNHMNIMULX-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CC1CCC(CC)CC1)c1ccco1	2050527874	MPXDDPMHJKDDMS-YMAMQOFZSA-N	249.398	4.537	0	10	BJAE	
CCCC(CCC)CNCc1ccccc1CC	2052176628	RJROSIOGBYIFPD-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
CC(C)c1ccncc1N[C@@H]1CCCCC[C@@H]1C	2053832784	GEXASRJHHTZUKR-DZGCQCFKSA-N	246.398	4.586	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H]1CCCCC12CCCC2	2055672571	URODZNPAZGUJJV-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(CF)cc2)CC1	2055678637	SYJNZFAOAZOMGC-HIFRSBDPSA-N	249.373	4.927	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1C[C@H]2C[C@H]2C1)NCCC	2059251244	YIZOIUYRTGEFAN-DDBYYKKRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC=C([C@@](C)(N)C2CCC(C)(C)CC2)CC1	2060912130	CFWAXSVGUQTXAL-CXAGYDPISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@@]2(O)CCC3(CCCC3)C2)CC1	2061087462	GDKPUQNWKIMWRF-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@H](NC2CC(=C3CC3)C2)CC1	2061223033	SHIPVJFQGRMJHP-BBRMVZONSA-N	247.426	4.578	0	10	BJAE	
CCN[C@H](CC[C@@]12CCC[C@H]1C2)CC1CCCC1	2061573117	VTZXHGRHZHHZDU-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
Fc1cccc(F)c1CCCC1CC(=C2CC2)C1	2061721687	ZQQVEKZTTMIBCN-UHFFFAOYSA-N	248.316	4.788	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H]2CCCCCC23CC3)CCC1	2062020563	NYFLVYLXKDRTAR-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063481857	XOYXPNQXWOHZTG-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](N[C@@H]2CCCC23CCCC3)C1	2066630471	WAVOPHNEDLDQET-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H]2CC23CCC3)CC1	2069177415	VANJCGOIAZZEFR-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
c1cc(C2CCC2)ccc1NC[C@@H]1CC12CCC2	2069202514	PBFTXGCRDQSGBA-HNNXBMFYSA-N	241.378	4.556	0	10	BJAE	
CCCC1([C@H](C[C@]23CCC[C@H]2C3)NCC)CCC1	2070874142	HBFLQVCONNXXPN-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC1(CNC2CC2)CCCCCC1	2070962421	JMJYJKXNRRPUCC-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CC1(C(C)C)CCC1	2071941936	YVJYSTCZPNAWAB-ARFHVFGLSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@](C)(NCC[C@]23CCC[C@H]2C3)C1	2072598525	OMZWCZRORIKNAR-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1	2072875717	QZRXYOAZFJHRLQ-WIPSIIJDSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@]2(CNCC)CCCC23CC3)CC1	2074628840	JFFLNRMLPGIBRW-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H]2CC(C)=C[C@@H](C)C2)CC1	2074638384	FCSXLMLRDCQLBJ-BMFZPTHFSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C1CC(C)(C)C1)N(C)CCC1=CCCCC1	2075145340	GAGFMZUXCDGBFZ-CQSZACIVSA-N	249.442	4.633	0	10	BJAE	
CN[C@H]1[C@@H](C2=CCC(C)(C)CC2)CCCC1(C)C	2076396724	WUSRSKDTVVOWEH-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCc1cccc(CC)c1NC[C@H]1C[C@@H]1C(C)C	2079619751	NAJUCMNHNQILDN-HZPDHXFCSA-N	245.410	4.515	0	10	BJAE	
CC(C)c1cccc(-c2cc(Cl)cs2)n1	2080278177	VTEAQKQUCDNLMW-UHFFFAOYSA-N	237.755	4.587	0	10	BJAE	
CC1(C)CC(C=C2CC[C@H](CN)C2)CC(C)(C)C1	2082985021	GAUBCXNVILLVPI-AWEZNQCLSA-N	249.442	4.524	0	10	BJAE	
CCC(CC)(CC)NCCCCCCC1CC1	2213571335	HCYPYOFJMUSPEL-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CC[C@H]1CCC[C@]1(O)CCCCCCC1CC1	2213579541	GBQMNUNVIHCZHU-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)CN(CC)CCCCCCC1CC1	2213581240	UNOHUVIWZQVFAV-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CCN[C@H](c1ccsc1)[C@]1(C)CC=C(C)CC1	2215816888	KJCQSNOEFOHGSD-HUUCEWRRSA-N	249.423	4.535	0	10	BJAE	
Cc1ccc(C)n1[C@H]1CCC[C@H](C(C)(C)C)C1	2216255433	DCJNGBJFQFUACH-GJZGRUSLSA-N	233.399	4.882	0	10	BJAE	
CC(C)C(=O)CC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216740830	ZSUKHTQUZJEDJP-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@]1(N)CCCCCCCC1CC1	2216858170	BCIUYCHEZKYUID-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCCC1(CNC2CCC2)CC(CCC)C1	2217128190	JPAMIELRAFUBMF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c(NC2CC(CC3CC3)C2)c(C)c1	2218480333	PNSULQWLOUAWJH-UHFFFAOYSA-N	243.394	4.602	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1C[C@H]2CCCC[C@H]21	2218718061	KBIAUEIQEJZYHE-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
O[C@H](CCCCCCCC1CC1)c1ccccc1	2218726411	OLMQBDFHULWZQJ-QGZVFWFLSA-N	246.394	4.861	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@@H]1CC[C@H]1C	2220521411	MYSDACFRCDJUJA-UNEWFSDZSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@H](NC[C@@H]1CC[C@H]1C)c1ccccc1	2220598906	KOSACZZXZRWAKD-PVAVHDDUSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CC[C@H]1CC1(N)CC2(CCC(C)(C)CC2)C1	2220662338	GPJJKULIDWFLOF-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(N)CCC3(CCCC3)C2)C1	2221038103	FHYIZSMXQRKIDW-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@H](CN[C@@H]2CCC[C@@H](C(C)C)C2)CC1	2221667404	LBDAQGASOQRTGS-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1CCC[C@H](C(C)(C)C)C1	2222268213	SRWUMQXBDVHFKX-XHSDSOJGSA-N	249.442	4.680	0	10	BJAE	
C[C@@]12CC[C@@H](CN1CCCCCCCC1CC1)C2	2223112823	IOIDUNQDXOGVQP-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CCCCC1CC1)N2	2224118579	BDKOKZAYOQOFDL-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CC[C@@H]1CC1(C)C)N2	2224120055	HSLMJGJWFKOGRA-CABCVRRESA-N	243.394	4.548	0	10	BJAE	
Cc1c(Cl)cc(Cl)c2nc(Cl)ccc12	2242378997	CXRMPWBKRVTGEB-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cccc(C)c1Cl	2244775107	KSSNHMBSPUGYHC-FZMZJTMJSA-N	240.774	4.508	0	10	BJAE	
CCC(C)(CC)C(=O)CC[C@H]1CCCC12CC2	2247638631	YDZXJBTXVCLBOY-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cc(C)c2sccc2c1	2248574748	CFEOCFCIHZKVGC-SNVBAGLBSA-N	246.375	4.829	0	10	BJAE	
CCCCC[C@](C)(O)OCCCCCC(C)C	2248827950	NTTXGFFAQKRRTQ-OAHLLOKOSA-N	244.419	4.508	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C(C)(C)C1CC1	2248838276	HRFSVJHCRQAXLY-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)C1=CCCCCCC1	2250355307	KKUZBJFGDSXNHN-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2250356530	QZGPHHQAVATURB-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CC1CC(CC[C@@H](O)C[C@H](C)CC(C)(C)C)C1	2251765845	VRVYOCVZAFXIPR-OOJKYFRXSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](c1ccc2ccsc2c1)[C@H](C)CC	2253061731	XPEYIKVGJDOOCC-IAQYHMDHSA-N	247.407	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2C[C@@H]3CCC[C@H]32)C1	2253936745	FTUZAGSQJJSKLJ-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2C[C@@H]3CCC[C@H](C2)N3)C1	2253974785	XIYYGUFXXVQTKB-BFZKSOEOSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](C)(N)C2CC3(CC3)C2)C1	2253994858	HLANACWKSQEWSZ-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C[C@@H]1CCC12CCC2	2254607318	SURBHZYZCSOJLB-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CCCC[C@H]1C[C@@H]1C	2254607405	IEZXGGAWDQKOCF-JYJNAYRXSA-N	245.410	4.520	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CCCC[C@@H]2C[C@H]2C)c1	2254610078	NWRLYAOPBILMLE-INMHGKMJSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC[C@H](CNCC2=CCCCC2)CC1	2255105637	ZTPRNVPFRGGIJD-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCCc1ccc([C@H](N)C=C2CCCCC2)cc1	2256296072	MLEUVVJFKBMZTB-QGZVFWFLSA-N	243.394	4.529	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)[C@@H]1CC12CCC2	2256410196	KJBXACMHXRAVHF-HIFRSBDPSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@@]12CCC[C@@H]1C2	2257307038	KJSHBQCEOOGENS-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(NCCC[C@@H]2CC2(C)C)cc(C)c1C	2258245239	LMUOYFZKEXOGAJ-OAHLLOKOSA-N	245.410	4.850	0	10	BJAE	
CC1(C)CCC(CN[C@@]23CCCC[C@@H]2CC3)CC1	2260548069	CNRYVXIUUOQXCK-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2260564071	DFUIPCQFHGLKTF-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@@]23CCC[C@@H]2CC3)C1	2260579514	RQNWBKDQJMPUEL-GMUWMPNVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCCC23CC3)C1=O	2261436137	PGVGXDDHYFXAKL-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@](O)(c1ccccc1)C1CCCC1	2263749020	KIMLQUFFCDZIBS-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@]12CCCC[C@@H]1CC2	2298685789	UAEVQFDUPUXHCG-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCNCC(CC)(CC)[C@@H](C)CC1CCC1	2298853018	OFNNDDHBFSZFRG-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc2ccn([C@@H](C)CC3CCC3)c2c1	2298935696	KEGIDCMOXLHWQP-ZDUSSCGKSA-N	227.351	4.701	0	10	BJAE	
CC[C@H](NCC=C(C)CCCC(C)C)C1CC1	2300864940	HIOKVHCSZNWYIQ-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@H]1CCC(C)(C)CC[C@@H]1NC	2300900198	VUKFULOVWRZIFJ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@H]1CCCC[C@H]1CC=C(C)CC	2300902058	QBLORUHKCKHNTL-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)CC1CCCCCC1	2301137697	MDDBNDKMUUACCS-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
NCC1(CC2CCCCCC2)CCCCCC1	2301140533	PVWQVDGZOYZRKC-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CCCCCC1CC(N)([C@@H](C)[C@@H](C)C(C)C)C1	2301841257	UKKHTNRCMFYZQX-FXQLRMTLSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C)Nc1cc(F)ccc1C(C)C	2301904985	JFAWFRVYOVUIHO-LBPRGKRZSA-N	237.362	4.796	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H]1CCC(C)(C)C1	2302902479	PXTPTHJWWSEXPS-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303444448	JXIHXGJSHBIXCR-FRRDWIJNSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@H]1CC[C@H]1C(C)(C)C	2303493976	DJFODNZIBAIHRU-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](CC)N(C)C[C@@H]1CC[C@H]1C(C)(C)C	2303493978	DJFODNZIBAIHRU-RRFJBIMHSA-N	239.447	4.569	0	10	BJAE	
CC[C@@](O)(C[C@@H]1CCC(C)=C(C)C1)C(C)(C)C	2303525595	VRIDAPXVFWZMGU-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2C=CCCC2)C1	2304434136	HMPMOTZLUKTCDF-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@@]1(C)C=CCC1	2307895560	QQOPEIIDWXYGJW-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CCC[C@H]1C(C)C	2307900487	VIKOHMMVWUCVHF-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)CN(C)c1cc(C)cc(C)c1	2307908304	PCKWJRNYHRHTGO-HNNXBMFYSA-N	233.399	4.566	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)c1ccoc1	2307908922	IUMAPMOWDXYBJO-DZGCQCFKSA-N	237.387	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(F)c1cccc(N)c1	2307910475	OLBYSCDMJVKASY-WFASDCNBSA-N	237.362	4.670	0	10	BJAE	
CCCNC[C@H](C[C@@H](CC)CCC)C(C)(C)C	2307924789	FGWOFGWXAITVPD-GJZGRUSLSA-N	241.463	4.865	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](C[C@@H]1CCC=CCCC1)NC	2311505265	WJESRHVBFUPMFL-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](N[C@@H]2C[C@H]2C2CCCCCC2)C1	2311538570	CVAJNQWWBAZBQM-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CC(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2311610238	IYZVOCMCBOGCHY-JWDQPFGJSA-N	248.410	4.598	0	10	BJAE	
CC[C@@]1(C)NCCC1=CCCCCCCC1CC1	2315195666	NHMJKIUWZIPDDH-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316696777	IJELGKKDYXSPOI-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN(C)CCCC1=CCCCC1	2318567202	CQPMNRQCGXVWAP-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](NCCCC2=CCCCC2)C1	2318579406	HCBRFQLOPHAMEX-WKILWMFISA-N	249.442	4.681	0	10	BJAE	
CC(C)NCC1(CCCC2=CCCCC2)CCC1	2318592901	NRDMFYAIYNTNNZ-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)[C@H]2CCCCC23CC3)C1	2319034145	JLSPEKZBQXDSSF-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)(C)C1)[C@]1(C)C=CCCC1	2319320564	NZWXYLYUNJVLTQ-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@H]1CC[C@@H]1C1CC1	2319547220	ZIASFVZWOFKIRI-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CNc1ccc(CF)cc1	2320308269	VCYVFMKSVRQGRK-ZFWWWQNUSA-N	249.373	4.640	0	10	BJAE	
CCCCCc1ccc(C(=O)C[C@@H]2C[C@H]2CC)o1	2320350363	LUQBEWKBNVXSCN-OLZOCXBDSA-N	248.366	4.631	0	10	BJAE	
CCNC[C@@H]1CCC[C@H]1C[C@@H]1CCC(C)=C(C)C1	2320391223	RKQMLCDLHRVFJX-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CCCCC2CC2)CC1	2320410830	AZSUBMVWDOOOCX-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CCC1(C(=O)C23CC(CC(C)C)(C2)C3)CCCC1	2321578565	QABHZCAUQKCDJC-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCCC[C@@H]1C	20306120	SRKZXOROCULIKZ-RRFJBIMHSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1c(F)cccc1F	20476079	PFNAZBSJSCPYBA-GHMZBOCLSA-N	241.325	4.592	0	10	BJAE	
CC(C)c1cc(C(C)C)cc(C(F)(F)F)c1	59159014	CAOZDGNUUDFUGL-UHFFFAOYSA-N	230.273	4.952	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)c2cc(C)oc2C)C1	71120991	FRAZFIREXUNUQW-CFVMTHIKSA-N	249.398	4.516	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H](C)c2cc(C)oc2C)C1	71121014	FRAZFIREXUNUQW-AEGPPILISA-N	249.398	4.516	0	10	BJAE	
CC(=O)c1cc(-c2ccccc2)sc1C(C)C	77098263	SORILXSFAKWDDK-UHFFFAOYSA-N	244.359	4.741	0	10	BJAE	
C[C@H](Nc1ccc(C(F)(F)F)cc1)C(C)(C)C	79971648	ZXWXGFKGQDBVEW-VIFPVBQESA-N	245.288	4.552	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C1CCC(C)(C)CC1	87942412	KZQYWJHUMYFXJF-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C1CCCCCC1	87948079	BYGOZHZGDQGUGV-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](NC)C1CCC(C(C)(C)C)CC1	87987418	FRLFPNITESLATA-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](O)c1cc2c(C(C)C)ccc(C)c2o1	88072640	PQEPQPDQONYWMJ-CQSZACIVSA-N	246.350	4.698	0	10	BJAE	
CCCCCC[C@@H](C)NCC1CCCCCC1	89559506	ATEQFKXHHXCWDT-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
Cc1cc(C)c(C(=O)C2CCCCCC2)c(C)c1	104003295	FTGSVAIWGHGDHH-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CC/C=C\C[C@@H](C)c1ccc(CC)s1	107544269	MELCKBKVXSBJGT-JMEBYUIHSA-N	208.370	4.770	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)c1cc(C)c(C)cc1C	109944587	NBMMLHSHOBGTRV-HOTGVXAUSA-N	247.426	4.841	0	10	BJAE	
CC1(C)CC(NC[C@@H]2CC=CCC2)CC(C)(C)C1	124791412	PUGQWXVUKSLXDU-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](N[C@@H]1CCC(C)(C)C1)c1ccccc1	124971511	DLPYBCZRDAQDID-HZPDHXFCSA-N	245.410	4.552	0	10	BJAE	
CCCNC/C(=C/[C@H](C)CC)C1CCCCC1	125563948	WKZYQGFOQAKGDU-IZCBMXNHSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@@]1(N)CC[C@H](C)c2ccccc21	131383590	OYUCJFLUSMWLQH-WMLDXEAASA-N	245.410	4.708	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H]1CC[C@@H](CC)C1	148421317	OKXUDYIPTBJASE-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C[C@@H](C)CC	162416675	RNBAKKCWJKHNOF-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc(C(=O)[C@@H]2CCC[C@H](CC)C2)c1	168002456	YIUZQZWYTRTPSB-GOEBONIOSA-N	244.378	4.648	0	10	BJAE	
FC(F)C1(c2ccccc2Cl)CCCCC1	220826129	JTWIKIZSFHLWFV-UHFFFAOYSA-N	244.712	4.807	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@@H]1CCC[C@@H](CC)C1	221506196	MEQSPTJDYFLSKJ-LVQVYYBASA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@H](N)c1cccc2ccsc12	228969267	SAGXXJZUFKOFOT-AWEZNQCLSA-N	247.407	4.872	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CCC1CCCC1	229338977	QIHVNTGLNXNLOL-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H]1Nc2ccccc2C[C@H]1C	232947096	HGRGZWIGVVTYLI-HIFRSBDPSA-N	231.383	4.630	0	10	BJAE	
CCC1(CN[C@@H]2CCC23CCCCC3)CCCC1	233003998	ASCXFPGZLOMFOH-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](c1c(C)cccc1C)[C@@H](C)CCC	233131905	XHBMHMMFMCBWJQ-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](C)[C@@H](CNC)c1ccc(C(C)C)cc1	233286724	XZZJGHCVYTYVDN-RHSMWYFYSA-N	247.426	4.549	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@@H]2CC2(C)C)cc1	234026446	WBCXHEZJERQEKY-RCBQFDQVSA-N	245.410	4.507	0	10	BJAE	
Clc1cccc2c(CCC3CCCC3)c[nH]c12	236070750	NRQATENGAHKGIV-UHFFFAOYSA-N	247.769	4.944	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	253193888	PFOPSNUWJJSSMK-XFIYOXNOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1CCC(C)(C)CC1	302321245	QOCGLRVFVOHBBA-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
Fc1ccccc1NCC1CCCCCCC1	305903843	DFPYCKYSOUKRMT-UHFFFAOYSA-N	235.346	4.598	0	10	BJAE	
CCOc1c(Cl)ccc2cc(Cl)sc12	306707374	RJVOHKDOTHXTKA-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
Fc1cc(Cl)c2ccsc2c1C(F)F	306906742	ZVHOMNGUOVOOFX-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1ccc(Cl)s1	308006348	DERMZYYKLGISPW-JOYOIKCWSA-N	246.803	4.507	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@H](NCC(C)(C)C2=CCCC2)C1	308752253	CIXJSGMWFLNXQK-FMKPAKJESA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@H]1C[C@@H](C)c2ccccc2N1	310344606	DVXYEFWZJGELDR-KGLIPLIRSA-N	231.383	4.801	0	10	BJAE	
CCC1CCC(CN)([C@H]2C=CCCCCC2)CC1	310757054	NWMWPFGWWRICLH-CGZBRXJRSA-N	249.442	4.668	0	10	BJAE	
Cc1ccc(NC[C@@H](C)C2CCCCC2)cc1C	311135962	DZIHGYPEMZGQMW-OAHLLOKOSA-N	245.410	4.932	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC[C@@H]1C)C1CCCC1	313459693	FWXXUYJYMPIFAQ-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@](O)(C1CCCCCC1)C1CCCC1	313475975	SYAMTNKHWYFHPP-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCNCC1(C[C@@H](C)CC)CCC(C)(C)CC1	317081816	IGQXOAKHHLXPSV-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CC[C@@H](C2(N)CCCCCCC2)C[C@H]1C	383211750	XSUSKQZKAJNCFB-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)CC(C)(C)C	384868026	IBSAKPQUJGQJQO-ZDUSSCGKSA-N	233.399	4.876	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)c1ccc(C)cc1	385001849	VUUFVXCPFCBPNV-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CC(C)c1cnc([C@H]2CCCC[C@@H]2C)s1	385099765	ZMNHROKJYHUPPY-QWRGUYRKSA-N	223.385	4.560	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1C[C@H](C)CC[C@H]1C	391172865	MAKQSDKAKLUMRD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccsc2Cl)[C@@H]1C	395629364	BIIKIENQILXDLW-BBBLOLIVSA-N	243.803	4.638	0	10	BJAE	
CCc1cc(CC)c2cc(SC)sc2c1	396177456	MBVQFHSWIXIQGF-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cc2sccc2c(C(F)F)c1C	396252481	RVTRZIOHKGCKOA-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
C[C@H]1CC[C@H](C(C)(C)CC2=CCCC2)C(=O)C1	401096282	ZSVJALIXUQKSHC-JSGCOSHPSA-N	234.383	4.518	0	10	BJAE	
Cc1ccc(C=O)c(-c2cccc(C(C)C)c2)c1	688980688	QAPXQFROISLBLR-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CCc1cc(NCCCC(C)(C)C)ccc1F	690098694	HAKDDZZXHIXAEH-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
N[C@@H](C[C@@H]1CC2CCC1CC2)C1CCCCCC1	691778525	QDGXJSOVBPMFFR-LCSXWQTCSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC(C)C)C(CC(C)C)CC(C)C	695072143	WYVNGPQZXYMFLL-INIZCTEOSA-N	241.463	4.719	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@H]2CCCC3(CC3)C2)C1	695687393	CEUAHPCSEGUDSK-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC[C@H]2CCCC3(CC3)C2)CC1	695688776	IKNCWSOUADKQPL-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@]1(O)CCC[C@@H](C(C)C)CC1	697599296	RILNRXBVUDQFDC-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1CCC=C(C)C	697747111	ALAWMEVOCZPJSZ-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)C[C@H](N)[C@]1(C)CC[C@@H](C)C1(C)C	699049910	JQBRWMHUOMRFNJ-INWMFGNUSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC(=O)[C@@]1(C)CC1(C)C)C1CCCCC1	702198294	PPQKTQZVLHJANH-BLLLJJGKSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C[C@@H](O)[C@H](C)CC(C)(C)C)CC1	704614420	RRHYWUWRZZFWAA-HXSCFSKGSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](c1cc(C)ccc1C)[C@H](C)CC(C)(C)C	704726669	CEGRNKNLVRDILV-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
CCC[C@](N)([C@@H]1CCC[C@@H](CC)C1)C(C)(C)C	704912667	JCHJDPUNHKGFEC-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCCCC[C@@H]1C	704928353	KXRQNIRAOLOZGB-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCCCC[C@H]1C	707548250	WSFLWKKRQGLGIG-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCN[C@@H](CCC[C@H](C)CC(C)(C)C)C1CC1	709193501	WJVOTPIBAZFPJQ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1Cc2nc([C@@H](C)CC(C)(C)C)[nH]c2[C@H](C)C1	709277328	XQPVGAXSQRYRSF-TUAOUCFPSA-N	248.414	4.635	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C23CCC(CC2)CC3)C1	710323077	DENPJFVJWHNJIO-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(NC[C@H](C)C2CCCCC2)cs1	710761929	YFYWNOMDWQZMPR-NSHDSACASA-N	237.412	4.685	0	10	BJAE	
CC(C)[C@]1(C[C@@H](C)C(C)(C)C)CCCCCN1	710766270	MWXXGQKCKPFABU-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](C[C@H](C)C(C)(C)C)NC	711225539	SXSXLXCDBBXWRA-ZNMIVQPWSA-N	241.463	4.719	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)c1c(C)cccc1C	713168104	MRXMFHWZRMSUFI-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CC(C)C(C)(C)CCC[C@@H](N)c1ccccc1	713176634	YIFLVXVOIAPZKR-OAHLLOKOSA-N	233.399	4.539	0	10	BJAE	
C/C=C/C[C@@H](CC)c1ccc(SC)cc1	714532294	MOVANKMZJYBJLC-FVOPLDGLSA-N	220.381	4.868	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C(C)(C)C1CCC1	718491003	DGCCMOYFFUOMLA-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)[C@@H](CCC(C)=C(C)C)NCC	718575336	YXGBERGLORJVAF-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](CCCC(C)(F)F)NC	718723960	WNDXFUNSWZDCQZ-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
C[C@H](C[C@]1(N)CCC=CCCC1)C1CCCCC1	718979353	NSHGCFUEDFKDHX-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H](CC)[C@H](CC)CC1CCCCC1	720428634	ZHEBRQGVCFSCET-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC1(CC)NCC[C@@H]1C1(C)CCCCCC1	721791785	AXFPIRQMVUWVPS-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccc(OCC2CC(C)(C)C2)cc1	723558881	CLTKDVVHSQPIHA-UHFFFAOYSA-N	232.367	4.625	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC1CC(C)(C)C1	723579031	OKZHSSOLNFCCGK-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](NCCC2CC=CC2)CC1	724179826	LEAMZMAEZRBPLS-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(CNCCC(C)(C)C)CC1	1177231117	BCLBPDAEIHIISC-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C/C(=C\Cl)CSC[C@@H]1CCC[C@@H](C)C1	1189197111	ACQIRKSEWQXFDY-CKRBCLJCSA-N	232.820	4.689	0	10	BJAE	
CC[C@H]1CCCCCN1CCC1=CCCCC1	1307483890	WZGCFOQULDUYFC-INIZCTEOSA-N	235.415	4.532	0	10	BJAE	
C[C@@H](C1CCCCC1)N(C)CCC1=CCCCC1	1473441334	BKNRSDXAPWFFAH-HNNXBMFYSA-N	249.442	4.778	0	10	BJAE	
CCC1(CC)CCCN1CC1CCCCCC1	1660034435	SJYAPRJIGRCZKR-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC=CCCCC[C@H]1CCCC1(F)F	1885360983	HWZUIZNZWRFATI-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
CCC(C)(C)CCN(C)c1ccccc1Cl	1901212322	UIDSCQPMWFXEBY-UHFFFAOYSA-N	239.790	4.603	0	10	BJAE	
Cc1c(Cl)cccc1O[C@H](C)[C@@H](C)C(C)C	1901621378	ZWQMBNPOCQEQHQ-CMPLNLGQSA-N	240.774	4.708	0	10	BJAE	
CC(C)Sc1cccc(CC2=CCCC2)c1	1905162563	PVZWFALVYBDBNV-UHFFFAOYSA-N	232.392	4.840	0	10	BJAE	
CC=CC[C@@H](C)c1ccc(CCC)s1	1912102100	RAYRWLGFVBCTPD-LLVKDONJSA-N	208.370	4.770	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@@H]1[C@H]2CCC[C@H]21	1913389668	MGIDYEIPXWNUPV-WCVJEAGWSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(O)CCC2(CCCC2)C1	1916431401	RWVWHFURSLFGIM-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H]1CCC[C@H](CC)C1	1920183366	UBBKCSBZLZEMDG-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)C[C@](N)(CC(C)C)c1ccccc1	1920462527	YUKWZPHDBOWSQD-QGZVFWFLSA-N	247.426	4.713	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(O)CCCCCC1(C)C	1921497415	RYESIHXNYMJGEL-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)CC1CCCCCC1	1921567021	GYEHTNRHKPACTP-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)[C@H]1CCCC12CCC2	1921620919	RAMPOYDYNYFCBA-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
NC[C@H]1CCCC2(CCC2)[C@H]1C1CCCCCC1	1924838713	PJQMODXCGPRRNR-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)C[C@H]1CC=CCC1	1925145656	OPUDIUQZNIRXQD-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCN[C@H](C)CCCC(C)C	1926114711	KAYMIAGYQPPKSW-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)CC2CC(C)C2)cc1	1926998709	FSCWBZVTHFLZCD-GMUWMPNVSA-N	245.410	4.636	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](C)(O)CCC(C)(C)C	1937166533	GISWCMSCCAMBGX-HIFRSBDPSA-N	228.420	4.636	0	10	BJAE	
CC(C)CCC1(N)CCCCCCCCC1	1938722585	ODENZBBFUIMTAW-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cc(C)cc(Cl)c1	1939731653	ZDLCGFCXZTUVNB-LLVKDONJSA-N	238.758	4.657	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1CCC[C@H](C)CC1	1939903031	JMQUHBKWDWPGIQ-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)C1(C)CCC1	1940873521	RDAVNPDBZLVZQH-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(=CCC1=CCCCC1)c1cccc(N)c1	1940968893	VIZVSMDYEANJKL-UHFFFAOYSA-N	227.351	4.563	0	10	BJAE	
Cc1cccc(C(=O)[C@H](C)CCC(C)C)c1C	1942665695	ZVFSHLKNHHVMDJ-CYBMUJFWSA-N	232.367	4.558	0	10	BJAE	
CCC[C@H](CC)NC[C@@]12CCCC[C@H]1CCC2	1944195387	QXTARTFRAJGPTM-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C(C)(C)C)C(C)(C)C1CCCC1	1944639959	BWJDEGRTMZIOFD-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NCCC)C(C)(C)C1CCCC1	1944641879	NJKREPAZCKIXPV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@H]2CC2(C)C)CC1	1944745658	YXPWIPDWTJBOQJ-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)C(C)(CC)CC	1947592857	MWRBBRSWHLRPJX-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CCC(C)(C)C(F)(F)CC)NCC	1948850258	KQMSQNKTBPFPBE-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CCC(C)(C)CC	1949012942	DLBTXKKRTMZNJH-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCCC(C)(C)CC1	1949047614	TUCLAKVRLNFZTB-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCCCCC[C@@H]1CCC(C)(C)[C@@H](NCC)C1	1949660241	HPNRRQRGJPEDNN-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@@H](C)N1C[C@H](C)CC(C)(C)C	1966567866	PFBASYAIUOTXGF-APIJFGDWSA-N	239.447	4.568	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CCCC2(CCC2)C1	1968330468	ZGUZGZXRAOMPLV-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)CN[C@@]1(C)CCCC[C@@H]1C	1970248906	ALXHBYLMHQABKT-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CCC1CCC1	1976929223	QAZHAXZYOGSEJD-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCC1CCC(CNc2ccsc2)CC1	1989811432	DWRLMPIGQDFHKT-UHFFFAOYSA-N	237.412	4.767	0	10	BJAE	
c1cc(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)cs1	1993370163	VSEZERWXLGCWMC-FPMFFAJLSA-N	235.396	4.519	0	10	BJAE	
CC(C)CCC(=O)C[C@@H]1CCCC(C)(C)C1	1994026339	PFKNREHQXOREGF-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2C=CCC2)CC1	1997106252	SLPDLNBDJNXPSQ-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCCCCC1(N)[C@H]2CCC[C@H]1CC2	1997556029	KKYNVTYTMIEBIX-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2CC=CCC2)CC1	1997604821	RMUDHYXKZNNGIM-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@@H]1CCCC(C)(C)C1	2000023428	HKZIWMHUZVPLRO-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CCCCCC1CC1)CCCC1CC1	2000331373	FBVMYTOVBDWXGA-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H]([C@H](C)[C@@H](C)CC)C(CC)(CC)CC	2000375199	ZRWJXSDEYVFGHD-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CCNCC(CC)(CC)[C@H]1CCC[C@@H](CC)C1	2000500633	WPSYJKNLCKXZTD-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)CC1(N)CC2(CCCCCC2)C1	2000671366	XGMFRTNWBYZGKF-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(C)n1C1CC2(CCCCCC2)C1	2000712150	CTGBJFAYCOQRCU-UHFFFAOYSA-N	231.383	4.780	0	10	BJAE	
CCCCN(CC1(F)CCCCC1)[C@@H](C)CC	2001386636	JQSKGKPZBOSLFV-AWEZNQCLSA-N	243.410	4.559	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C1CC(C(C)(C)C)C1	2002303611	DHGMXWXCMPIAKD-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
CCC1CCC([C@](C)(N)C(C)(CC)CC)CC1	2002929066	ISQRXFXRMYTONU-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1CC[C@H](C)CC1	2003066801	IIBOBQVHPDSFMO-RBSFLKMASA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@H]1CCCCCCC[C@@H]1NC	2003115552	BRJMXOQTHOWGKV-HOTGVXAUSA-N	239.447	4.905	0	10	BJAE	
CN(CCCC1(C)CC1)C1CCCCCCC1	2003167309	BKFQOHBFWPSVOK-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC1CCC(CC(=O)[C@]2(C)C=CCCC2)CC1	2003326587	NVRUQZGWXRZKHO-ZBCRRDGASA-N	234.383	4.518	0	10	BJAE	
CCC(CC)C[C@H](N)[C@@H]1CCCCC12CCC2	2005591421	FVEXZCBCBFYMPN-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCCC(C)=C1C	2006913034	GPDNCKXPLZEAPD-ZBFHGGJFSA-N	237.431	4.824	0	10	BJAE	
CC(C)CCCCCN[C@H]1C=CCCC1(C)C	2006915464	WZZHXGUAWNGMJF-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(N)(C=C2CCCCC2)CC1	2007972287	UCSLHZXXKFGTSG-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H](CCC)C(C)C	2010988445	MFSNVWWSNVEXMD-HOTGVXAUSA-N	237.431	4.548	0	10	BJAE	
CC(C)CCCCC[C@H](N)C[C@@]12CCC[C@H]1C2	2011019883	ODXXKOYMVZJGAK-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cc(C)cc(F)c1	2013262973	DXVFXQBBUNILSY-AWEZNQCLSA-N	237.362	4.761	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@H]1C[C@H](C(C)(C)C)C1	2013708912	VKJNSZFTGBUXRQ-KBUPBQIOSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1C[C@@H]2CC[C@H]2C1	2015188660	SNTYWHALIPZJMM-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@H](O)C2(C)CCCCC2)CCC1	2015636292	WCOOLJWVXBYTIO-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CC[C@@H](CC)C2)CCC1	2015641334	CQKKZJCGDYPTEW-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C(C)(C)CCF	2016758992	DRCINDDQXYBPRB-AWEZNQCLSA-N	245.426	4.567	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@H]1C)CCC(C)(C)CC	2017241559	DJMDAVJIFVMPPW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CNC)(CC(C)=C(C)C)CC1	2017464440	AGIKOWIUURCDCB-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC1CCC(CC(=O)CCCC(C)C)CC1	2017773212	XECHQYROPGJSEQ-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2019418380	CLDHYDLBPIKUEK-JJXSEGSLSA-N	239.447	4.569	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@H]1C[C@H]1C(C)(C)C	2022447116	CHQJAIXTWILURW-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC1(O)CCC(C)(CC)CC1	2022450051	CKEXMGNMOKBTMM-QRNKSROTSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@@H]1C[C@@H]1C(C)C)C(C)C	2022558303	VJFDIPDTRUKTTK-ZNMIVQPWSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1C[C@@H]1C1CCCC1	2022558987	ATKQLLLVPBORIJ-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](C)[C@H]2CC[C@H](N)CC2)CCC1	2023547922	UXHITMHRTKXHMI-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(O)CC(C)(C)C1(C)C	2025018010	KWEICSXSEZPAFD-WBMJQRKESA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@]1(C)CC1(F)F	2026075048	RMJIMHIKSKPJEZ-AAEUAGOBSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCC[C@@H]1C[C@@H]1C	2026170489	QADKLPBXIALFRR-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(C)CCN1CCCC[C@H]1c1ccco1	2027024068	YNEMLLFUAZNHPX-HNNXBMFYSA-N	247.382	4.553	0	10	BJAE	
CC(C)c1ccccc1C(=O)CC[C@@H]1CC1(C)C	2027812620	NTWNOJBTYMZBFI-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CC1(C)C[C@H]1CCCNC1(C2CCCCC2)CC1	2027839137	GCKYMWHHTTUINJ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)c1cc2ccccc2o1	2029838441	SEQVATGDWYQBRD-LRDDRELGSA-N	245.366	4.505	0	10	BJAE	
CC(C)(C)[C@@](C)(O)c1ccc(C2CCCC2)cc1	2031747997	ZEWYDWGBVCKNCW-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CC1(CN[C@]23CCCC[C@@H]2CCC3)CCCCC1	2031806319	XADXEXYKXUHCTE-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CC1(CC(=O)[C@@]23CCCC[C@@H]2CCC3)CCCC1	2031851929	OMHBEQRNBLYZFB-RHSMWYFYSA-N	248.410	4.886	0	10	BJAE	
C1=C[C@@H](NC2CCC3(CCC3)CC2)CCCCC1	2032185649	RHIUSXVANIICKW-OAHLLOKOSA-N	247.426	4.578	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNc1cccc(C2(C)CC2)c1	2032509555	JNWMLQMWLPBSGA-UONOGXRCSA-N	243.394	4.586	0	10	BJAE	
CCc1ccccc1N[C@@H]1CC[C@@H]2CCCC[C@@H]21	2034264975	SUJQVLHCRDEPFB-YQQAZPJKSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)C1CCCCC1	2035603837	XBWIJPOIRSEITR-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@@H]1CC12CCCC2	2036101883	VTBBGLCVJXBLKM-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CC1CC2(CCC2)C1	2037968985	CTGXMHREKWEJHS-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](NC[C@H]1CCC2(CC2)C1)C1CCCC1	2038584090	SURAHOTUZDTCGN-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(C)c1NC1C[C@H]2CCC[C@@H]2C1	2038622643	ODNLKVGKANNCEQ-HUUCEWRRSA-N	243.394	4.548	0	10	BJAE	
CCC[C@H](CC)NCC1CC2(C1)CC1(CCC1)C2	2039457514	IGIPKIOHJJTPCY-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@H]2CCC=CCCC2)c(C)c1	2045330777	YUTWVOOMZGTEIR-INIZCTEOSA-N	243.394	4.852	0	10	BJAE	
CN([C@H]1CCCC(C)(C)C1)[C@@H]1CCC2(CCC2)C1	2045521088	SKXPNNYJTXTEDH-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)C[C@@H]1CC12CCCCC2	2047006847	DTSARPMDNHFSOM-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2CC23CCCCC3)C1	2047060415	XSWNLHWMBYBFDN-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CCC12CCC2	2047962922	UGYJAQHTUQQXER-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)C1CC(C(=O)CC23CCC(CC2)C3)C1	2048618143	BMXASJNXGNVIKN-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@@H](C)NC[C@@H]2C=CCCC2)CC1	2049412972	UCAHGUQTAAOMBD-KZYLPZIUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2C=CCCCC2)C1	2049515615	SHHFCAUJHGIQKD-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@H]1CCCC2(CC2)C1	2049865093	LHGYFOHXKAINKQ-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@]1(C)C=CCC1	2050009247	XRVWWZNVIYDEMX-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2051595685	YBXOWZTWROKZDD-LJEMCRLJSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC=C[C@](N)(CC2CC(C(C)(C)C)C2)C1	2054979109	AYOXVGGWPVXONC-PBMMVSLJSA-N	249.442	4.523	0	10	BJAE	
CN[C@H]1C[C@H](C[C@H]2CCC=CCCC2)C[C@@H](C)C1	2055015338	KPWQWKZSOMMZPZ-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1CC(CC(=O)[C@@H]2CCCC23CCC3)C1	2056669142	FVCMORULBURLFX-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)C(=O)[C@H](C)C[C@H](C)C2	2056681216	ZNKAVKOZTMLBOJ-RWMBFGLXSA-N	244.378	4.601	0	10	BJAE	
CN[C@@H](CC=C1CCCCC1)c1ccc(C)cc1	2056885768	DBLOVLFNJRGXLJ-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CC(C)[C@]12CC[C@@](N)(CC3(C)CCCCC3)[C@H]1C2	2058569513	KWUYXAVASKPHAO-USXIJHARSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)[C@]12CCCC[C@@H]1CCC2	2062647368	SPPZXXSUSXGJML-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCC[C@H]1CC12CCC(CC1)C2	2065277277	MOUDKAXNRBSMDS-CKDBGZEDSA-N	248.410	4.886	0	10	BJAE	
CCCN(CC12CCC(CC1)CC2)C1CCCC1	2065295830	OXMROGVKLFPKQW-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC[C@@](N)(CC12CCC(CC1)CC2)C1CCCC1	2065336423	AWBJPJOEXASUMR-BDVYOWHSSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)NC[C@@]1(C[C@@H]2C=CCC2)CCC1(C)C	2068235332	DRZZPADJTLIKSI-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@](C)(O)c1cccc(C2CC2)c1	2070413676	NGANEJNVTUXFFE-KRWDZBQOSA-N	244.378	4.518	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CC[C@H]2C2CCC2)CC1	2071800604	UINPKUYTJDTEGG-VUROTCPHSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H]1CC2CC1C2	2072048079	JKHDMRJRWLVPDM-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1ccc(CC)cc1	2072418080	QWQGUDPZEKQIFV-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CN[C@H](C(C)=C(C)C)c1ccc(CC(C)C)cc1	2072423277	HELONOWDZWUQFM-QGZVFWFLSA-N	245.410	4.502	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(N)CCC3(CCCC3)C2)CC1	2072795598	GJCDPNHHWRAERH-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2[C@H]3CCC[C@H]32)CC1	2072875846	STFNQHVWHFQTDX-GQWUXDJYSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H](C)c1ccccc1	2073349075	YDQWQJGMDSXDGN-RDJZCZTQSA-N	248.410	4.902	0	10	BJAE	
CCC1CCC(C(=O)C[C@]23CCCC[C@H]2C3)CC1	2074091012	NDHGPFDODYZGOD-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
CCCCN(C1CCCCCC1)C1C[C@H]2C[C@@H]2C1	2076548044	ZVDWTRAJLPBIIN-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
c1ccc(C2CC2)c(NC[C@]23CCCC[C@@H]2C3)c1	2077263254	OVZHPVZOLSZBDX-RHSMWYFYSA-N	241.378	4.556	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccccc2C2CCC2)C1	2077263755	CVFABFOBXMKNGH-UKRRQHHQSA-N	243.394	4.945	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C[C@@H]1C1CCC1	2079423018	FCEKHXZBFNYDBA-BRWVUGGUSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CNc1ccc2ccccc2c1	2079496259	JIDCVXKWSVORJM-NVXWUHKLSA-N	239.362	4.544	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2C[C@H]2C2CCCC2)CC1	2079867807	VSKFXFNEQCDDBZ-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@@H]3CCCC[C@H]32)CC1	2081136906	MADKCHWFPSESTP-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)CCC2CCCC2)c1	2082929441	FQFFRZDRRGKTEA-KRWDZBQOSA-N	245.410	4.582	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCc1ccccc1	2085946616	ZRBXQMCZFGUVEV-OAHLLOKOSA-N	246.394	4.795	0	10	BJAE	
Cc1cc(Cl)c(C[C@@H]2C=CCCC2)cc1F	2210107471	CKDWOBPGRKFFIV-LLVKDONJSA-N	238.733	4.686	0	10	BJAE	
FC1(F)CC[C@H](C/C=C/c2ccccc2)C1	2210662335	MTJXMLARRUJMSQ-LVDDQXARSA-N	222.278	4.525	0	10	BJAE	
CC[C@@](O)(CCCCC1CC1)CCC(C)C	2211119075	MDQZTDYTOFFACR-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC1CC([C@@](C)(O)CCCCCCC2CC2)C1	2213579668	GSSZLTAJBVKGAO-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@@H]1CC(=O)c1csc2ccccc12	2215064719	QIRTWIJHIRVHMH-WDEREUQCSA-N	244.359	4.520	0	10	BJAE	
CCC[C@@](O)(CC1(C)CC(C)(C)C1)C1CCC1	2215380465	WXFGEAIQZWMFME-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@H](N)CC2(C)CC(C)(C)C2)CCC1	2215394957	VEPRGRNJCZNNTF-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](N)CCCCCCCCC1CC1	2216877668	OYKIYZFEZUTCBJ-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC(C)C[C@](C)(N)CCCCCCCC1CC1	2216883080	GSWOBFQTZSSUTF-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H](C)NC[C@H](CCCC(C)C)C(C)(C)C	2217124093	DORAKODSBPFXCH-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)CC(C)(C)CNC1CCC1	2217155942	GZALEVLVPZSJHB-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC)NCC1(C2CC2)CC=CC1	2219248466	BXICWQVIIJJORP-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C[C@]12CCC[C@@H]1C2	2220045129	MJYLSIUSUVRHDK-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)c1ccc(C(C)C)cc1	2220960937	OKTUPVFZAFGBQK-CZUORRHYSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@H](CC1(C)CC2(CCC2)C1)C1CCC1	2221015170	VNLVMTOUCYGAHX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C1CCC(C)(C)CC1	2221926936	AXHTUSFPJLDVHD-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C1CCC(C)(C)CC1	2222005663	IPUJNDFYPBGLLZ-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)c1c(C)cccc1C	2222007250	RZDLXPQKQFWJOY-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1	2222933569	MQNAGWLULXMDSZ-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC1	2222933571	MQNAGWLULXMDSZ-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(Cl)c(F)c1	2244805531	YKKNLHGUBLFNPZ-JTQLQIEISA-N	243.753	4.717	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@@H]1CCC1(C)C)C(C)(C)C	2247418754	VQZNFCWIDSXGAN-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)C(=O)CC[C@H]1CCCC12CC2	2247636476	LWWSWWSDTRHTRR-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCc1ccsc1C(=O)[C@]1(C)CC=C(C)CC1	2248001736	KGRKXNZJKMYSOB-OAHLLOKOSA-N	248.391	4.630	0	10	BJAE	
CCc1cc(Cl)ccc1-c1cc(C)cc(O)c1	2248358798	UBKPHSXCBHTKIE-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
CCCC1(NCCCCC[C@H]2C[C@@H]2C)CCC1	2248877660	GMYOTJUULDDZCX-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCCCC[C@H]1C[C@@H]1C	2250358712	AIAAPVGDXJLBFE-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1(CCC)CCC1)NC	2250358765	APXCVVQVRSYUQE-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CC[C@@H](CN)C1	2250479612	WQWHLEGPJWBJQJ-GDBMZVCRSA-N	237.431	4.524	0	10	BJAE	
CCC(=O)c1ccc(SCC2(C)CCC2)cc1	2251754227	WZFNWYWSBXCZNP-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@H]1CCCCC12CC2	2253795813	UKKRMJNBAQINQU-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](N)(CC[C@H]1CCCCC12CC2)C1CC1	2253841057	VHYJJICLQUMJQN-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(F)c1C(=O)CCCC[C@H]1C[C@@H]1C	2254517952	ATZCSLBSJNSQCF-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
C1CCCCN(C[C@@H]2CCC23CCC3)CCCC1	2254931194	HUGGVFVQQPXJFA-INIZCTEOSA-N	249.442	4.613	0	10	BJAE	
CC[C@](N)(CC1=CCCCC1)CC1CCCCC1	2255139739	FCMOXLQUTPODSL-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCC[C@H](CC)C(=O)CC(C)(C)c1ccccc1	2259438594	QMBBRNJHUZCEIU-AWEZNQCLSA-N	246.394	4.750	0	10	BJAE	
Cc1cccc(NC[C@]23CCCC[C@@H]2CC3)c1C	2260578321	KZYHSBPFDNFFPX-NVXWUHKLSA-N	243.394	4.686	0	10	BJAE	
CCCC1([C@H](N)C[C@@]23CCCC[C@@H]2CC3)CCC1	2260604061	NGTQJHLLEYPJFR-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@]23CCC[C@H]2CC3)CC1	2260648010	QPJUIEQJVRDDMN-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CN[C@H](C)CC)C[C@@H]1CCC[C@H]1C	2298224993	KWTRDUFEJBOASW-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@H](C)CC2CCC2)CC1	2298864961	LFSXNNUKOSOQRI-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC(=O)C(CC1CC1)CC1CC1	2298888959	OUEUGVHZGFFKSH-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(F)F)CCC(CC)CC	2300685729	IFAUJFXIZZHJLM-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](O)C(C1CCCCC1)C1CCCCC1	2300810544	ZDXIDBTWWOJTSL-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H](C)C1CCC1	2300871249	DCIHUBISMWFYRL-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCCc1ccc(C(F)(F)F)cc1	2300933221	AUKOLVSSKAWATF-UHFFFAOYSA-N	242.284	4.994	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2301057514	KAXWJRIMPXLXQM-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(O)CC1CCCCCC1	2301138332	UHQZGOOLMHCTNN-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H](C)[C@@H](C)C(C)C	2301825859	ONXOOSYYJQDCPA-YJNKXOJESA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(F)ccc1C(C)C	2301912875	MPOYZRAPJCHLCY-GFCCVEGCSA-N	237.362	4.940	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)c1sccc1C1CC1	2302615612	OEXGWVGJNLQPAW-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CCC1(O)CCCCC1	2303460944	FQJGESMHATYKGO-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303506656	USIXMGBDQVSITI-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@](C)(O)CCC(C)C)CC1	2303520831	HXOPIQLFBLYJRW-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](CC)CN1CCCCC12CCCC2	2307760352	HCPGZMSDYIFBTC-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H]1CC(C)(C)C1(C)C	2307760614	JMRIGBZVSDVQNA-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1(C)CCC(C)CC1	2307818868	GFAYGNWAQJNLEP-PWUWZPNHSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@H]1CCC1(C)C	2307819356	KSZCXGSQEPTRHA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC[C@H](O)c1ccc(C)cc1	2307823301	NDWXONPCGZCZJI-HOCLYGCPSA-N	234.383	4.635	0	10	BJAE	
CCCNC[C@@H]1CCC[C@H]1C[C@@H](CC)CCC	2307826492	MXTLMGPOCBQCCU-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)c1ccccc1	2307897845	FKIJAUSTYYIWGI-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1CC(C(C)(C)C)C1	2307911670	XCAFAPUFQGJABR-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
CC=CCCC[C@@H](C[C@H]1CC[C@@H]2C[C@H]12)NCCC	2310192313	WMNHOXMYWZAAKI-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCCCC1	2311569528	OMJNZGJHCHKBBB-QSPRXWTASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]1[C@@H]2CCCCCCC[C@@H]2C12CCC2	2311921955	HKYDJDNRLKOHDY-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1ccc(C)c(CC)c1	2314714349	YPWRYPSTPYAEQZ-YOEHRIQHSA-N	247.426	4.644	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1ccc(C)c(F)c1	2316501633	HSUOTVZXOLMSJZ-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC(=CCc1nccn1C1CC1)CCCC(C)C	2316573920	QPZRPURKCYIAKB-UHFFFAOYSA-N	246.398	4.533	0	10	BJAE	
CCCC[C@@H](C)c1nc2ccc(C3CC3)cc2[nH]1	2317128013	XCEXUMMPMCRWRX-LLVKDONJSA-N	242.366	4.734	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@H](C)[C@H](C)C(C)C)cc1	2317821571	WIVYEPPORIQOQB-CPUCHLNUSA-N	247.426	4.567	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@@H](C)[C@@H](C)C(C)C)cc1C	2317857452	CWSCJWWTUDFBQF-YQQAZPJKSA-N	248.410	4.573	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCCC[C@@H]1C	2317914773	GHOUQTACKJJIBH-SWLSCSKDSA-N	249.373	4.940	0	10	BJAE	
CC(C)c1ccc(F)cc1NCC1=CCCCC1	2317922706	MAFJOQUYOXUOOG-UHFFFAOYSA-N	247.357	4.861	0	10	BJAE	
CC=CCCC[C@@H](CCC1=CCCCC1)NCC	2317973808	FSIKZBWEJXJNLO-KRWDZBQOSA-N	249.442	4.992	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)[C@@H](C)[C@H](C)C(C)C)c1	2317993112	WHJAUXZIPOZING-UKPHBRMFSA-N	247.426	4.540	0	10	BJAE	
CC[C@@H](NCCCC1=CCCCC1)[C@@H]1CC1(C)C	2318523985	JJWBXZMWOGTBQF-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C1=C(CCCNC23CCC(CC2)CC3)CCCC1	2318579507	HPAQIYKVNACAIV-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2318883017	PJAXDRHDCCUZHT-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@H](CCC[C@@H]1C[C@@H]1C)NCCC	2318943093	CTIGSUHTVYCWRG-GVDBMIGSSA-N	249.442	4.703	0	10	BJAE	
C[C@](N)(CC[C@@H]1CC[C@@H]1C1CC1)C1CCCCC1	2319738975	RIZNYITUKSPMMN-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](CNCC2(C(C)C)CCC2)CC1	2320229952	BQLOQXXNSQWRRM-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@](CO)(C[C@@H]2C=CCCCC2)CC1	2320265895	OFCPOZAJKSDENR-SJORKVTESA-N	248.410	4.622	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)C2(C)CC(C)(C)C2)CC1	2320331621	RMBRXMLVTXWKRL-GJZGRUSLSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CN2CC(C)(C)CC[C@@H]2C)CC1	2320387284	FOZPNDLJUZUYMW-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CCC(C)(C)C[C@H](N)Cc1cccc(C(C)C)c1	2320635675	DKBJSROWPYTFRM-MRXNPFEDSA-N	247.426	4.506	0	10	BJAE	
CCc1ccccc1OCC[C@@H]1CCC(C)(C)C1	2321610927	LTBSGPJTRAWLEB-AWEZNQCLSA-N	246.394	4.844	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cccc(N)c2F)c1	2327793337	AUMGICUFCUMPKK-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CCC[C@@H](CC)C[C@](N)(c1ccccc1)C(C)C	2328194349	UPAGXMWDAIOAPQ-NVXWUHKLSA-N	247.426	4.713	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H]1C[C@@H](C)CC(C)(C)C1	19230557	JGPJPGITHDMVJO-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@@H](C)Nc1ccccc1C(C)C	21794415	ZILUDESUZYXOKE-CYBMUJFWSA-N	219.372	4.657	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1CCC(C)(C)CC1	79624920	NVJSKRRTVJRUCJ-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@]1(O)CCC[C@@H](CCC)CC1	83520683	OJRGJQCREZQQBT-HUUCEWRRSA-N	226.404	4.678	0	10	BJAE	
c1ccc2c(CNc3ccsc3)csc2c1	85528969	HROCRKWYMRPDLO-UHFFFAOYSA-N	245.372	4.575	0	10	BJAE	
CCCCCC[C@]1(C(C)C)CCCCCN1	85876379	FPWVKIHBGZRZOR-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Sc2cccc(C=O)c2)C1	90870242	USCBSCBSXQILHB-TZMCWYRMSA-N	248.391	4.560	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCCCC2(C)C)c1	94279914	HHOSZCYSPJJXLP-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
CCCCCC[C@H](O)c1c(C)c(C)cc(C)c1C	97470398	NPAUAHCUSRBIFK-INIZCTEOSA-N	248.410	4.924	0	10	BJAE	
CCCC[C@@H](CC)CNc1cc(C)ccc1F	104019423	OUBVTEKMDQRIMR-CYBMUJFWSA-N	237.362	4.762	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@@H](C)CNC(C)C	133063774	ZUUSXQFKVLTNGM-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
Cc1cc2c(Cl)cc(Cl)cc2s1	144654624	CSMVDMYPLCQRGL-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H](CC)c1ccccc1	159502462	RYJUAGKUGKHXIQ-DLBZAZTESA-N	247.426	4.739	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)c1cc(C)oc1C	161959327	OIANOIWXMRXFJM-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
CC[C@H](C)CC(=O)c1cc(C)c(C)cc1Cl	164271201	SQILOOBPOYUUDR-VIFPVBQESA-N	238.758	4.576	0	10	BJAE	
CCC[C@@H](CNCC(C)C)C1CCCCCC1	167928345	HXHSBGNBTKPMLX-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCCC[C@@H]1C(C)C	214438920	UPCINBTUUBKGBY-ZBFHGGJFSA-N	249.373	4.761	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1C[C@H](C)CC(C)(C)C1	224956162	LCMHQBLGJWRHOV-AAEUAGOBSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCCC(C)C	229450193	MVRBSSZSKRIQMP-CYBMUJFWSA-N	212.377	4.598	0	10	BJAE	
CCC(=O)c1cc2cc([C@H](C)CC)ccc2o1	232359314	BDLCNWJPCDTFRF-SNVBAGLBSA-N	230.307	4.539	0	10	BJAE	
Cc1cccc2c1NC[C@H]2[C@H](C)C1CCCCC1	235396250	FLSLKMYRGBZARG-CJNGLKHVSA-N	243.394	4.721	0	10	BJAE	
Cc1cc(C)c(C(=O)C2(C)CCCCC2)c(C)c1	235817819	KCDJHJXJXLHIDD-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CCCCCCc1ccc(CCCC(C)=O)cc1	260485607	KLMCZUHGGMBRJH-UHFFFAOYSA-N	246.394	4.721	0	10	BJAE	
CC(C)NCCCCC1CCCCCCC1	300919075	ZEYFVQYWQOWJKM-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
C1CCC(CC[C@@H]2CCCC[C@@H]2CNC2CC2)C1	302261521	OOTYHYQUIVFFFC-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
c1cc2cc(N[C@@H]3CCC[C@H]4C[C@H]43)ccc2s1	302714493	YURMHGHGKFJEON-ZLKJLUDKSA-N	243.375	4.502	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1CCCC(F)(F)C1	304163159	CMSWIFOMNYOJAI-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
C[C@@H](CCC(C)(C)C)Nc1cccc(Cl)c1	304367354	IUDQKUUXHLTARU-NSHDSACASA-N	239.790	4.967	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)CCC(C)C	304417389	QOPLGEXXZUQZIG-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
CC1CCC(CCN[C@H]2/C=C/CCCCC2)CC1	306018952	PWBZRIHGKQXELX-GAXIBNBKSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc2c(C(F)F)c(Cl)sc12	307101738	AROYNLUWRIGUOA-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC1CCC([C@@H](O)[C@@H](CC)CC(C)C)CC1	308010128	ABZJPORCJMNDIY-GRAKBVBRSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCc1ccccc1	308049977	AECFGXFVNZXXJB-INIZCTEOSA-N	246.394	4.651	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC(CC)CC	308119023	ZOQBFEDZMRFJDO-CQSZACIVSA-N	226.404	4.844	0	10	BJAE	
CCC[C@@]1(CC2(CC)CCC2)CCCCCN1	310155980	QEWHTGHHSIZNKQ-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CCCNCC1([C@@H]2C=CCCC2)CCCCCC1	317264054	ZRRHZVUNSLJSCL-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CCC[C@](CNC(C)C)(CC(C)C)C1	317777155	UWNMVWVBLCTUNN-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCCC(C)(C)C1CC1	328575721	YKSYMPMGNHJEAY-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)Cc1ccccc1	383558506	RSJFTOKBOSMUSY-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@@H](C)C1CCCCC1)NC	383577351	DLKBKQNJWCDBGS-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)c1cocc1C	385314049	MHSKGSMIKUAINW-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
CCC1(NC[C@@H]2CCC[C@@H](C)C2)CCCCC1	389491373	SLGYCPJCBFDDAG-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NCC2(C3CC3)CCC2)CC1	391467179	JHYJPGBAJGZSKZ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)CCNc1ccc(C(C)C)cc1	394459715	QKUOKWDHIQTGNC-CYBMUJFWSA-N	219.372	4.658	0	10	BJAE	
c1ccc(-c2ncc(C3CCCCC3)s2)cc1	394595157	YGNOXVLQIRWPDA-UHFFFAOYSA-N	243.375	4.858	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1CCCC12CCC2	394869145	RDTYCKDYFSTHEU-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC)[C@H](CCC)C(C)(C)C	395324800	ORTQYQWNWXFHOC-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCc1cc(F)c(C(F)F)c2sccc12	396215937	OQWYLWUWERNPEE-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CSc1sc2c(C(F)F)cccc2c1C	396406678	NELZOBRJEJGGRT-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1ccccc1C	401784250	CNLZDVDLEXVVCB-HUUCEWRRSA-N	231.383	4.623	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1cscc1C	401924808	YQSSUYFOZFDYRU-STQMWFEESA-N	237.412	4.685	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CC[C@@H]2C[C@H]2C1	403610885	IRPHMHYGMZRNIE-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CNc2ccc(C(C)C)cc2)CC1	687548560	PULBUGGOAZZLRB-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CC[C@@H](C)C[C@H](N)C1CC(C)(C)CC(C)(C)C1	688347966	ZKULMSKGNYCQQC-OCCSQVGLSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1cccc([C@H](O)C2C(C)(C)C2(C)C)c1	688970023	BQRIZDFNSPZNRD-AWEZNQCLSA-N	246.394	4.526	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)C2CCCC2)c1	689610557	IUSMUEVJKUOSJW-ZDUSSCGKSA-N	245.410	4.802	0	10	BJAE	
CCC(C)(C)CCC1(CNC(C)C)CCCC1	696679598	SVJWCOSKKVLJHN-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)CN[C@@H]1CCCC(C)(C)CC1	697577951	BBPIJQHXAPJNSD-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@@H](C(C)(C)C)CCN1	699562142	SUDXYURXZXWTGX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc([C@](C)(O)CCC(C)(C)C)c1	701576806	HNQDJLYQNGJWNE-QGZVFWFLSA-N	248.410	4.844	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)[C@@]1(C)CC1(C)C	702169715	DBAALMBKDITVPR-DOTOQJQBSA-N	245.410	4.507	0	10	BJAE	
CCCCCC[C@]1(N)CCCCC[C@@H]1C(C)C	704463015	XMGGZYUYOQSVHA-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)c1cocc1C	705258868	OHZBEQIQNJPULQ-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
CC1(CC2(N)CCC3(CCCC3)CC2)CCCC1	707767242	KLTKIFXGISDRJB-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)(C)C)C1(C)CCCC1	709101475	JFKPEYXXZODFMU-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@@]12CCCC[C@H]1C2	709143287	AFZRHZDPALYBGC-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](C)Nc1cncc(Cl)c1	709214073	BHSJNROFQXEECS-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@@H](C)CC(C)(C)C)C1	709271068	IMDZEIMJFKJMPI-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1CC2CCC1CC2	709481717	FVMDZTGYBOVDSO-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
c1cc(N[C@@H]2C[C@H]3CC[C@H](C3)C2)cc(C2CC2)c1	710894408	CUFMPPZTXXCBPP-LAQFHYBYSA-N	241.378	4.555	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C[C@H]3CC[C@H](C3)C2)c1	711066093	BATSIOCQBXDAJG-HALDLXJZSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H](CC(=O)CCC=C(C)C)C(C)(C)C	711118918	KEHHFYKGGIIKOC-ZDUSSCGKSA-N	224.388	4.764	0	10	BJAE	
CCc1ccsc1C(=O)C[C@@H](C)C(C)(C)C	711201511	QPTISKGSAAPBBL-SNVBAGLBSA-N	238.396	4.566	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(O)CCC(C)(C)C[C@H]1C	713147487	WCIDFRROHRFHSG-CZUORRHYSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCCCC[C@H]1C(C)C	713213065	YNESDIJEFRESJD-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)=C(C)CCNc1cccc(Cl)c1C	718621286	DZEOSQQLMVWMDE-UHFFFAOYSA-N	237.774	4.807	0	10	BJAE	
CC(C)CC[C@@]1(CNC2CC2)CCC=CCCC1	718995630	DNYSALRZAZKEGG-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC/C=C\c1ccccc1	721727533	VIUPECOPZIHUCC-RCBBPTIPSA-N	245.410	4.634	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CCC[C@H]3C[C@H]32)n1	821965103	KBGOQBMOXKMMHR-NNYUYHANSA-N	235.396	4.560	0	10	BJAE	
C1=C[C@H](N2CCCCCCCC2)CCCCC1	1307773062	JUSQTHYASVYNRG-INIZCTEOSA-N	235.415	4.532	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1C[C@H]1CCC	1897612004	DFYUFUFMCPLTEJ-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C)NCC=C(C)CCCC(C)C	1900826580	LREWWQRYBPWFIQ-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](C)Nc1cc(F)ccc1C(C)C	1901665747	KPZSTYQVFLUMHS-LLVKDONJSA-N	223.335	4.550	0	10	BJAE	
CC(C)(C)CCC[C@H](N)CCCCC1CC1	1902166121	RJTQCWDOXNGNEB-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCc1cscc1NCCCC[C@H]1C[C@H]1C	1902380623	DUEZMWUOEGVBEU-YPMHNXCESA-N	237.412	4.549	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@H](C(C)C)C1	1902382409	WGRNLRAFXFEMKR-QWHCGFSZSA-N	237.412	4.547	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)CC1CCCC1	1905361260	NSTAYLJWMKXGMX-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C(C)(C)C(C)(C)C	1905436258	YLJMBVMLPWIUJP-CHWSQXEVSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H]1CCCCCCCC1=O	1906884807	KIVOTILBCLZZDQ-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CC(C)=CCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906990560	QGBGEOBIFUEQJN-SOUVJXGZSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@H]1CCCC(C)(C)C1	1911267911	CQEMVNAJGIQJTG-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C2CC3(CCCCC3)C2)C1	1912644929	IGBQDZKJMWBCNU-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H]2CCCCCCCCC2=O)CCC1	1913387712	AEBRNQVCLSKTFJ-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
CC(C)CCCCC[C@H]1CC[C@H](C)CC1=O	1916085380	KHNIJRCNBRTYBR-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H](C)C1CCCC1	1924083573	LWOWKGZPACSHFP-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@](C)(CNC1CC1)C1CCCC1	1924089923	TWUKXUGXTLBIOS-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCCC1)C1(C)CCCC1	1925891627	KHSSNGRFVRNRIT-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC(C[C@H]2C=CCCC2)C[C@H](C)C1	1932603932	JMSMITRRBQUJKH-MCIONIFRSA-N	206.373	4.805	0	10	BJAE	
CC[C@H](C(=O)c1cc(C)cc(Cl)c1)C(C)C	1939710901	NFKIJKWMHHIXBN-ZDUSSCGKSA-N	238.758	4.513	0	10	BJAE	
CCC(CC)(CC)CNC1(C2CCCC2)CC1	1940489650	PTKCXSOAKHSDKN-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccccc1OCCCC1(C)CC1	1940861908	FFQQLVXCACALKZ-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CCNCC1(CCCC2(C)CC2)CCCCC1	1940877700	RTDKTSIXIFJEAT-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC(=O)CCC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C	1942042781	ACSZQHBSMOSCPR-YDHLFZDLSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H](C)C1CC1)C1CCCCC1	1944594579	VBAIPNAQHWMUNH-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C(C)(C)C1CCCC1	1944640356	DURDNWNITIAEGD-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C[C@H]1CCC[C@@H]1C	1944847429	ALDJUMRCBORHSZ-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CNC1(C)CCCCCC1)CC(C)(C)C	1945619006	ZZVGERHVOYPCBK-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1C=CCCC1	1947561279	GXYVOPVRVDIBAN-AWEZNQCLSA-N	230.351	4.545	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948586543	NQWNAUYQURSUPC-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)C[C@@H](C)CC(C)(C)C1	1949046084	AMKPOLHGOFTTSN-XJKSGUPXSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCC(C)(C)C(=O)C1	1949656010	KWNGUPPIXMLPGP-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](CC1=CCCCCCC1)C(C)C	1949824696	CLIPIYPOVJWMGS-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CO)CCC[C@H](C)CC1	1950910386	GCVFRRNQQITAKP-GOEBONIOSA-N	238.415	4.702	0	10	BJAE	
C[C@@H](CCC[C@H]1C=CCCCC1)C(F)F	1957934133	DUCSXNMIPRYOLI-RYUDHWBXSA-N	216.315	4.804	0	10	BJAE	
CC[C@H]1CCC[C@H](c2nc(C)cs2)CC1	1958424992	PADFYACQIGYEDS-RYUDHWBXSA-N	223.385	4.525	0	10	BJAE	
C[C@H](CN1CC[C@H]1CC(C)(C)C)CC(C)(C)C	1966541028	ULUJEUFELSDKKY-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
C[C@@H](CC1CCC1)NC1CC(C2CCCCC2)C1	1967796115	LOGQCNMWBSNGIL-IGEOTXOUSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1Nc1ccccc1Cl	1968256819	QSJPIIVZVUAHCA-WCQYABFASA-N	237.774	4.577	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@@H]1CCCC2(CCC2)C1	1969953157	AKZOYZQDJHCRHJ-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCc1cnc([C@@H]2CCC[C@@H](CC)CC2)s1	1976348948	GLBLJKXVSFGKEI-VXGBXAGGSA-N	237.412	4.779	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CC(=O)c1cccs1	1980686729	GNBQANKCELQYCQ-NEPJUHHUSA-N	236.380	4.537	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCCC(C)C	1990818459	NZSYBCUINIIIIR-HNNXBMFYSA-N	227.436	4.713	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cc(Cl)c(F)cc1C	1995048847	UTODAZQANQUJLS-PSASIEDQSA-N	243.753	4.634	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCCC2(CCC2)C1	1997039678	MVIRRHZSFWQWRB-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)(C)CCCN[C@H]1CCCC2(CCC2)C1	1997039849	OICMUMMBKPQLEX-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C1=C[C@H](Cc2snc3ccccc23)CCCC1	1997434327	YVWFYOXUMCFZIM-LBPRGKRZSA-N	243.375	4.585	0	10	BJAE	
C[C@@H]1[C@H](C[C@@H]2CCCCCCCCC2=O)[C@@H]1C	1998586156	GGKXTDHMVFSEOB-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)CCNC[C@H]1CCC=CCCC1	1999997527	YZTSHMBQGAIDPB-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCCC(=O)c1cccc(C(F)F)c1	2000189404	WUDUMXMXLMACFA-UHFFFAOYSA-N	240.293	4.633	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CCCC1(C)CC1	2000196097	CKKGOLQHJXFFFR-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](CCC=C(C)C)NC	2000333161	NAGNWZMMNHUERP-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)CC2(C)CCC2)C1	2003016009	GHCPMRWGRAGBKG-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@@]1(C(=O)c2ccc(C3CC3)s2)C=CCCC1	2003335597	UTOMCSUZFRXVMA-OAHLLOKOSA-N	246.375	4.555	0	10	BJAE	
CC(C)CCCCC[C@@]1(CN)CCCC12CC2	2005591172	CTQKJLMMOFZGHP-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N(C)C1CCCCCCCC1	2006743462	PPNKTLRRDAOZQF-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1(C)CCC(C)CC1	2007683976	XGUJBYJUEFBWRO-BBBYJDLNSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC(=O)[C@@H]([C@@H]2CCC(C)(C)C2)CC1	2009404623	PIUIFWGRMKMCLT-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2CCC[C@@H](C)C2)CC1	2009412105	VNGWOLFOROJAGO-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCCCC1CC(O)(C[C@H]2CCC[C@H](C)C2)C1	2009715211	ZRDISZVBSJPTCB-FXQLRMTLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](NC)C1=CC[C@@H](C(C)(C)C)CC1	2010712633	JTVHCNNJXRMYFO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNc1ccc2sccc2c1	2011583543	JQWJQWICXYDPIX-RYUDHWBXSA-N	245.391	4.749	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H](C)C1(C)CCCC1	2014340103	PFCRPFNNYYKDLL-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)[C@@H]1CCC1(C)C	2014886010	VEVRHFNGPWXNMJ-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CC(C)C(C[C@]1(N)CCCCC[C@@H]1C)C(C)C	2015396768	GCYBBRJIUHGDEL-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C)[C@H](N)C[C@H]1CC[C@H](CCC)CC1	2017721468	KNOPNUBNTOMEGH-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCCC[C@H]2C)CC1	2017731617	UCWNVFRLDQYPMC-LMPOIIKSSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@@H]1CC[C@H](C)C1	2019192029	IKSODRAXAVVERJ-HRCADAONSA-N	239.447	4.571	0	10	BJAE	
CC[C@H]1CC[C@H](CN(C)[C@@H](C)C(C)(C)C)CC1	2019479982	HMVVYSSJUOZJPL-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@](O)(C[C@@H](C)C1CCC1)C1CCCC1	2019767486	LRGADWDZXIOOHH-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC[C@@H](C)C1CCC1)NCCC	2019850161	QTILBWKEPOGAPU-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCN(C[C@@H](C)CC(C)C)[C@H]1CCCC1(C)C	2022048753	IUNRKJMBOMKOFJ-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)CC=C(C)C)CC1	2023326571	ZUONEXVZYKVFHH-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CC(C)NCCC=CC[C@@H]1CCCC(C)(C)C1	2024093297	AHBGOPQRZPEVHK-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
C[C@H]([C@H](O)C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2024129587	WQCKBROLYUMGHV-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CCCCCCC(=O)c1ccc(C)c(C)c1F	2024304544	HPQVUDUAUWNQBZ-UHFFFAOYSA-N	236.330	4.596	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCC1CCCC1	2026167345	QOAUETIESUEVCR-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
c1c[nH]c(-c2nc(C3CCCCCC3)cs2)c1	2026604232	ZHOVMDNFOAZJOW-UHFFFAOYSA-N	246.379	4.576	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1ccccc1C1CCC1	2028228539	YMMCXTIPUGLTDZ-RHSMWYFYSA-N	246.394	4.670	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)c1cc(C)c(C)cc1C	2028251695	IQLYLSVPNVFPQY-DOTOQJQBSA-N	247.426	4.684	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1cccc(C2CC2)c1	2028551155	CJFIUYHZDXHVMA-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
C[C@H]1CC(Cn2ccc3ccccc32)C[C@H](C)C1	2031800704	HHXMRGLYPDUEJM-ZIAGYGMSSA-N	241.378	4.714	0	10	BJAE	
CC1(CCCC(=O)[C@@]23CCCC[C@H]2CCC3)CC1	2031847314	KPFIYXSYENSBFZ-WMLDXEAASA-N	248.410	4.886	0	10	BJAE	
CCN[C@@H](C[C@H](C)C1CC1)C1=CCCCCCC1	2032161783	UJCQQLUAZWAHRO-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)C1CCCCC1	2035603835	XBWIJPOIRSEITR-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1cccc(C2CC2)c1	2036358385	OFRBDXLXDNZXNB-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
C[C@@H](CNC1CC2(CCCC2)C1)C1CCCCC1	2036540055	ZPWWDFZIRPLYCV-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](N)[C@@H](c1ccccc1)C(C)C	2037127289	SIOWBAMOHPKAKC-HZPDHXFCSA-N	247.426	4.580	0	10	BJAE	
CCCCC[C@](C)(N)CC(C)(C)c1ccccc1	2037171705	AVHJTLVDQOGBPE-KRWDZBQOSA-N	247.426	4.652	0	10	BJAE	
C[C@@H]1CCc2cc([C@@H]3CCC(C)(C)C3)ccc2N1	2037692449	FOUADUIJWHDLLP-IUODEOHRSA-N	243.394	4.727	0	10	BJAE	
O=C(CCC1[C@H]2CCCC[C@H]12)CC1CCCCC1	2038169508	ZQKQUEZYMYTLGD-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CCC[C@H](C)CC1	2039367424	VQPXJODQABCGAQ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@H]2C=CCCC2)CC1	2039383686	DFYIVQIFNNLXBI-JYJNAYRXSA-N	249.442	4.667	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1ccc(C)cc1C	2039446299	GDFVYMXQELIZRM-ZBFHGGJFSA-N	243.394	4.708	0	10	BJAE	
N[C@H](CC[C@@H]1CCC=CCCC1)CC1CCCC1	2045331218	CUPHVCBPTLXTTP-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
C1CCCC2(CC1)CC(NCCC1CCCC1)C2	2046230693	WGMSTSPJAJUTAV-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2CC23CCCC3)CC1	2047020532	QFHVCOJBGYKBPA-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@@H]1CCC12CCC2	2047943519	RUZSUUJSQXDBEU-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(NC2C[C@H]3CC[C@H](C2)C3)CCC1	2049674508	FCGIHNPNJOVCKR-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](CC1CCC2(CC1)CC2)C1CCCC1	2049851175	AGTDMJNMGMFMJU-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@H]2CCC3(CC3)C2)CC1	2049857713	TVKAHZPQGPBBQS-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@@]1(C)C=CCC1	2050006086	KUCVBDDOLLBYPD-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C1CCCCC(NCC2CC(C3CC3)C2)CCC1	2050167632	BUSLQWKZLNUOLT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCN(C)C1CCC2(CCCC2)CC1	2051642603	GYHOIMDRCPTTRD-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CCNC[C@@]1(CCC=C(C)C)CCCCC12CC2	2053356858	MILVGISYNFVROX-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCC1(CNc2cnccc2C(C)C)CCC1	2053840863	YNDZJHFDLJOVTK-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](O)(C=C2CCCCC2)C1	2056855552	JPSBCORMFKHXPJ-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C=C1CCCCC1	2056878014	GGGXJCRDFALHPT-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H](NCC1(C2CC2)CCCC1)C1CCC1	2057649813	YPJMGBIWTSPZIH-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC(Nc2cccc(C3(C)CC3)c2)C1	2058827711	KFPXUYDFUZFGAJ-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
CCc1c(C(F)F)ccc(SC)c1Cl	2060054096	PDHOBAXLQGDCQH-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)C1CCCCC1	2060926995	VJHFHCHDSDPYGW-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@](C)(N)C2CCCC2)CC1	2061120288	WKCZRARIUKCJFX-DYVFJYSZSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H]1CCCC[C@H]1C1=CC[C@H](C(C)(C)C)CC1	2061151660	UJAPRIUXFIVTTH-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1Cc2ccccc21	2061877287	YDBMAWVVOHBSET-AWEZNQCLSA-N	244.378	4.502	0	10	BJAE	
CC1=C(C)[C@](N)(CC23CCC(CC2)CC3)CCC1	2065285164	BXALYVCQPFVKRW-OFLPRAFFSA-N	247.426	4.565	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC2(C3CCC3)CC2)CC1	2072796784	SASGOFRNJPZNGC-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cccc2c1CCCC2	2072833034	OILNKURMSAWEHH-ZDUSSCGKSA-N	245.410	4.802	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@@]12CCCC[C@@H]1C2	2074026494	UPLDTACZLVEWKP-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@H]1CCC)C1(C)CC=CC1	2079626275	HRHPKURHAJUABA-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@H]1CCCC2(CC2)C1	2081784786	GWNSKZGEVCQZTH-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](CCC2(F)CCC2)c2ccccc2N1	2084767381	OPHNNRMUVXBXBF-QWHCGFSZSA-N	247.357	4.647	0	10	BJAE	
CCC(CC)(CN)CCCCCCC1CC1	2210525176	MSXSWZQSDHHUGR-UHFFFAOYSA-N	225.420	4.502	0	10	BJAE	
CCC(O)(CC)CCCCCCCC1CC1	2210526387	DQWQMSCCNRBYAD-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CCC[C@H](C)CN(C)CCCCCCC1CC1	2213583295	QKFOOPVLZBRCGB-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CCCCNC1	2216879647	LPGLURIATDYBFG-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CCCC(C)C)CC1(C)C	2217138043	LVKUBEFHGVYCCZ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@@H]1CCC(C)(C)C1	2217142402	PZUZVUSDZIADDY-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C(CCCN1CC[C@H]1C1CCCC1)CCC1CC1	2218732310	OVBOTGADRWKIFF-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC2(CC([C@@H](N)CCCCC3CC3)C2)C1	2220041650	QOTRWTRRUULMLM-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CC=C(C[C@@H](N)C2CCCCC2)CC1	2220288220	GNJGREXTVVJROY-DOTOQJQBSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1ccc(C2(C)CC2)cc1	2220925658	RCWNJMUHACBVNU-KBPBESRZSA-N	243.394	4.586	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCOc1ccccc1C(C)(C)C	2220965392	ZGOJXJKJPZPVBJ-KGLIPLIRSA-N	246.394	4.799	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)[C@@]1(C)CC=C(C)CC1	2221622531	IGEMTNPDBPYZKF-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC1=CC[C@@](C)(CNCCC2CCCCC2)CC1	2221644014	QMKVCDBGHIEUDU-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
N[C@H](CC1CCC1)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222935063	WUDPQVSCOLXAMF-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)C1CC2(CC2)C1	2223119610	FZZIYHLGIIDGFF-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC1(CNC2CCC2)CCCC1	2223550103	LOAKCVFKMBDNAW-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CCC[C@@H]2C)C=CCCC1	2223603211	XHWVPVQFLASRBZ-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@H](C)c1ccccc1	2224169817	TWQIKPHVRATRDY-BFYDXBDKSA-N	247.426	4.724	0	10	BJAE	
CCCC(C)(C)C(=O)CCCC[C@@H]1C[C@H]1C	2243023971	DBOANCGPYAHBBK-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCC(C)(C)CC)NC	2244786611	VPQYRUZSMPACAK-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@](C)(N)CC[C@@H]1CCC[C@H](C)C1	2246659726	KKNUXKXYNRSRBD-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
C[C@@H](C(=O)CCCC[C@H]1C[C@H]1C)C1CCCC1	2247160508	VFOCWEBNAUPALD-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C1CCCCCC1	2247175606	KAEXJOQZQIQDME-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)CC1(C)CC1	2250516604	KASYUWNTEKHZPJ-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CC[C@H](C)[C@@H](C)NCC[C@@H](C)CCCC(C)C	2250526910	HFUFEEIPYCAFKM-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCC1CC(C[C@H]2CCc3cccc(C)c3N2)C1	2253875239	XGTIZNKEKLBVCG-ZBCRRDGASA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2C[C@@H]3CC[C@@H]3C2)C1	2253910987	NSXJPNWBLDGTKM-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCCCCN1CC[C@@H]1CCCC12CC2	2255259436	OJSAAOCRKRYGDL-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCC1([C@H](N)CC[C@H]2CCCC23CC3)CCCC1	2255290318	DMNXMANBXDZEDF-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCC1(COc2cccc3c2CCCC3)CCC1	2257477584	DQEXCTZQSYRHOY-UHFFFAOYSA-N	244.378	4.525	0	10	BJAE	
CC(C)(C(=O)C[C@@]12CCC[C@@H]1CC2)C1CCCC1	2260586541	HZJLANVTXNKDRU-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@]23CCCC[C@H]2CC3)C1	2260622456	MAGOTIDPFCLDMG-VLVHBFOGSA-N	248.410	4.742	0	10	BJAE	
NCC[C@@H]1CCC[C@H](C[C@]23CCCC[C@H]2CC3)C1	2260658315	OIUJSNJXYCABGF-LUKYLMHMSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCC(=CC2CC(CC(C)(C)C)C2)CN1	2261301872	RLSUQPHSDHLZMN-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H]2C(=O)C3(CCCCC3)[C@@H]21	2261385126	HDYXKQCDDWUDRD-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CC12CCCCC2	2300503549	NOOKZSFMNWVGLO-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CC[C@]1(CN)CCCCC12CC2	2300698679	AWJMKPJTHPUIPN-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@H](C)c1ccc(C(CC)CC)cc1	2302237191	CSZUERKTSUFPKY-CYBMUJFWSA-N	233.399	4.651	0	10	BJAE	
COc1c(-c2ccsc2C)cccc1C(C)C	2302250081	UEIDBVNDHDENRR-UHFFFAOYSA-N	246.375	4.856	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1CCCC1=CCCCC1	2302344378	FKTYFZSBKMROOB-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@@](O)(CC)CCCC1=CCCCC1	2302361977	UBBYBHJBRGMDTB-INIZCTEOSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)CCC2CCCC2)C1	2302763041	JERWYRUMTMILPJ-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCCC[C@H]2C[C@H]21	2302837249	TYQZEVHROQPKPG-YWPYICTPSA-N	249.785	4.639	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1CC[C@@H]1C(C)(C)C	2303476926	UTJVILQMFMKJBX-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)[C@H](C)CC(C)C)CC1	2303603648	VHTXVKVYODZFNF-BZUAXINKSA-N	237.431	4.536	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C[C@H]1CCC12CCC2	2307906249	CVZSJHNUHMMCGW-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@](N)(CCC1CCCC1)C2	2308396694	BHLRNGUXJVHGKT-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
C1CCC[C@H]2[C@@H](CC1)C[C@H]2NCCC1CCCC1	2309184941	OLGGYRGUPHWTAE-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H](N)C1(C)CCC2(CC2)CC1	2313581494	SCSKYNSKQXQPOH-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(NC(CC1CC1)CC1CC1)C1CCCC1	2313598091	SHPPQJOOAQMHEU-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CCCC[C@H]1F	2315878562	VKIZPRRMEPKLBN-HUUCEWRRSA-N	249.373	4.811	0	10	BJAE	
CCC(CC)CC[C@@H](C)[C@H](NC)c1ccccc1	2316244841	CIEOZEDJSCFWRC-PBHICJAKSA-N	247.426	4.800	0	10	BJAE	
CC(=CCN[C@@]12CCCC[C@@H]1C2)CCCC(C)C	2316498190	ZZQNKHIDJGUUBF-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CC[C@H]2C[C@H]2CC1	2316502708	MBWKVROHLDZXLW-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)[C@]12CC[C@H]1C2	2317009102	HXBBUJBBTOCMJA-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)CCCC1=CCCCC1	2318539483	GXHBGKFQIACAFE-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)CC[C@@H]1C1CCC1	2318544024	UUDFPUCNKJJIKK-SJORKVTESA-N	247.426	4.565	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)C1CCCCCC1	2318562412	VNOJZWPISWXLRG-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@H]1C[C@H]1CC	2318597639	NAZWXLJOONVFAP-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCCCCCC(=O)Cc1ccccc1C1CC1	2318986334	BMJHXSKXNYVWJT-UHFFFAOYSA-N	244.378	4.646	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)CC[C@H]2CCCC23CC3)C1	2318997355	OASNNIYMHMTSQX-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC[C@H]1CC[C@@H]1C1CC1	2319738375	PPGZLMUMRCBEQA-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@]12CCC[C@@H]1CC2	2320220105	UCSROYZPZBUKFM-UMPJEAMMSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@@H]1CC[C@H]1C(C)(C)C)c1cccc(N)c1	2320244950	WVEYCSFMCJQAJD-IVMMDQJWSA-N	245.410	4.835	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC[C@H](C)[C@@H](C)C2)CC1	2320327239	LBGYNKGQDUNGKS-LLLHUVSDSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@](C)(N)[C@H]2CCC2(C)C)CC1	2320328162	OWCQXZVOIDOLAU-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](O)c2ccccc2C)CC1	2320328729	GCCITALIRRVWQG-DOTOQJQBSA-N	244.378	4.555	0	10	BJAE	
CC1=C(C)C[C@H](CC2(N)CCC3(CC2)CC3)CC1	2320341947	YLRGLLIKILXVAR-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H]1CC[C@@](C)(C[C@@H]2CCC(C)=C(C)C2)C1	2320388493	QNWNKAGSIRTPGG-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2320409997	ZZFMJJARQYGOBR-XUWVNRHRSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1cccc(C(=O)CC2(CCF)CC2)c1	2320569815	BNIBVKZDCFWWJQ-UHFFFAOYSA-N	248.341	4.523	0	10	BJAE	
O=C1CCCCCCC[C@H]1[C@@H](CC1CC1)C1CC1	2320695405	HWFBJGRHOIIQIE-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)[C@H]2CCC23CCC3)C1	2321605234	JWWFKGHXKWRVBI-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CC[C@@H](C)C2)c1F	2327775207	AUZPLEVHMJCSHP-OLZOCXBDSA-N	249.373	4.797	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)CCc1ccccc1C	2328270091	WIBYEEPGRUWEOV-NVXWUHKLSA-N	248.410	4.505	0	10	BJAE	
Cc1cc([C@H](C)Nc2cccc(Cl)c2)c(C)o1	20438173	QZYOMGHFTMDVGF-JTQLQIEISA-N	249.741	4.723	0	10	BJAE	
Cc1cc2sc3cc(C)sc3c2s1	32254175	OZBIHQANVLVZBE-UHFFFAOYSA-N	224.375	4.794	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(CCC)cc1	68874544	MVKMZPHFDLBRHU-INIZCTEOSA-N	234.383	4.643	0	10	BJAE	
CC(C)c1ccc(COc2ccccc2F)cc1	70238300	IVOIXPHDMIMIAT-UHFFFAOYSA-N	244.309	4.528	0	10	BJAE	
CCCC1CCC(N)([C@H]2CCC[C@@H](C)C2)CC1	71154178	DBZZNCCRJAELRI-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](Oc2cccc3ccccc23)C1	85152070	HKVQHQHRTFPNQV-HIFRSBDPSA-N	240.346	4.797	0	10	BJAE	
CCCC[C@@H](CC)C/C(C)=C/CCNC1CC1	93675650	RTGMAYSZZIHFOC-UJMHRVFCSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)(C)C)c1ccccc1	104448942	XCCRGCSXABASSI-GDBMZVCRSA-N	247.426	4.800	0	10	BJAE	
CCC(=O)c1ccccc1SCC1CCCC1	122762104	STHOZPVGPLPRFU-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC[C@H](NCCC(C)(C)C)c1ccccc1	123921219	LXWWADUAYOVHEU-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
CCCNCCC(C)(C)[C@H]1CCCC[C@@H]1CC	133910976	GOBPRDCFVOXHBQ-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@]1(O)C[C@H](C)CC[C@H]1C(C)C	165571691	GJCRTXSMZBPVJR-PMPSAXMXSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@@H]1CCCC[C@@H]1CC	166749954	SIGUCONBRXKWAQ-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC([C@@H](N)C2CCCCCC2)CC1	167759187	HVTDBBXCVPWDHV-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](c1cccc(C2CCC2)c1)C(C)(C)C	169035796	UBQLRBLMNAUZHN-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@@]1(C)CCS1	211392665	VOUJVCYJEYFBRX-OAHLLOKOSA-N	234.408	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](O)c1cc(C)ccc1C	225399998	AYADCEQLPYIFSV-YQQAZPJKSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C[C@@H](C)C(C)(C)C	229334702	GLEKLOZQIIAWLB-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)CC1CCC1	229688975	JOCJJOUUDUFOIV-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H](C)c1ccc(OC/C(C)=C/Cl)cc1	232012285	PWALVVCOLJREFY-LMMOQWNQSA-N	238.758	4.722	0	10	BJAE	
CCC1CCC([C@H](N)C2=CCCCCCC2)CC1	232923710	RWESORDIZWYMAI-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C2=CCCCC2)CC1	233307781	NKIYKSJXFZRJMC-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCC1(CC)CCCC1	234045551	XFXZKZZRVMHDLY-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc2c1NC[C@H]2[C@@H](C)C1CCCCC1	235081661	FLSLKMYRGBZARG-BBRMVZONSA-N	243.394	4.721	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)[C@@]1(C)CC=C(C)CC1	238747860	ZERSDKXNSOGPAT-JKSUJKDBSA-N	236.399	4.620	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](C)CCNC(C)(C)C	251781492	NDCNTVDVWYIWPT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1C[C@H]2CC[C@H]1C2	253040447	KKAPOOXVKSADGQ-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)[C@@H]1CCCC[C@H]1CNC(C)(C)C	300461073	DAJHZBZOSDGYDD-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CNC[C@@H](CC(C)C)[C@H](C)CC(C)C	302559435	LZMMKDYLUTVFGC-HZPDHXFCSA-N	241.463	4.577	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)C[C@H](C)CC(C)C)C1	306013299	XDHHCMAFAWMGHR-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
CCc1c(Cl)cc(Cl)c2sccc12	306565524	XSQPSFKBZTYQQW-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCc1cc2c(Cl)ccc(CC)c2s1	307040342	IJTCTXDQPYURLZ-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
C[C@@H](C[C@@H]1CCC[C@@H](C)C1)C(=O)c1ccccc1	310936214	GBULQDCLFWOPPX-QLFBSQMISA-N	244.378	4.722	0	10	BJAE	
CCNCC1([C@@H](C)CC(C)C)CCCCCC1	317271761	IRIUUEPFTZZWSP-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@H](C)[C@@H](C)CC	319105803	FWPLFTPRYOLCOY-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@H](C)C1CC1	379606323	JSZAYOLPTYAVNM-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](NCCCCCC(C)C)C1CCCC1	382790260	OODSUHCMWZKFKD-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCCCCC(C)C)c1ccccc1	383404396	UMCWHBRUOMVCRU-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)CC1CCC(C)(C)CC1	383455247	HZHKBZJWFJAPSP-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)[C@H](N)c1ccc2ccccc2c1C	384677506	FLVYFIOKNCYQIB-PXAZEXFGSA-N	241.378	4.584	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@@H]1C[C@H]1CC(C)C	387815102	KYGWHMBGTAHOCL-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc2sc(CC)c(CC)c2c1	396207989	SMDGJGUZTROVDQ-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
Cc1sc2cc(C(F)(F)F)ccc2c1S	396309715	UFJBGCLTCSFIRT-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCCC[C@H](C)Nc1cncc2ccccc12	396515836	JUJDZZIBVFLNHR-ZDUSSCGKSA-N	242.366	4.616	0	10	BJAE	
Cc1scc([C@H](O)CCCC(C)(C)C)c1C	399889986	WGVVWTMRNWFIIG-CYBMUJFWSA-N	240.412	4.615	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)c1ccsc1	402128843	DZNSBYUIDGSDNL-UKRRQHHQSA-N	249.423	4.535	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)CC(C)C)c1	689593697	BNZWPNRRQGZBQZ-ZDUSSCGKSA-N	233.399	4.658	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(O)CC1CCCCC1	689732364	HEJPYUARLDQZQT-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCCC[C@H]1CC)C1CC1	691039006	ORDCDOMZXIBBJN-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CCCCC[C@H]1Nc1ccccc1Cl	691069183	ORMBBFLVCVDELO-WCQYABFASA-N	237.774	4.721	0	10	BJAE	
CCCC1CCC(NC[C@]23CCCC[C@@H]2C3)CC1	693549331	QITOVPROZVTRIH-MNAZLIDISA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1C[C@H](C)c2ccccc21	695101727	WOEKJMZUSKQMPF-XEZPLFJOSA-N	245.410	4.649	0	10	BJAE	
CC(C)(CCC(=O)C1CCC2(CC1)CC2)C1CC1	695613708	KVYLFPXSDRYZDM-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(CNC2CCC3(CC2)CC3)CCCCCC1	695682546	FWKWQDKRNJXKHY-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1csc(C)c1C	696644323	IKSMRNDNTFQBTG-ZDUSSCGKSA-N	240.412	4.615	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C(C)(C)CC	696646667	PLPPINXFYXJJOW-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCCCC(C)(C)CNCCC=C(C)C	697778044	SRSQOHRFBDBNLG-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CC(C)=CCCCc1cc(F)ccc1Cl	698103880	LQELPRBPZGYEJT-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CCC1CCCCC1	701179473	FIZIHDVHXLRRKW-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)[C@@](C)(N)c1cc2ccccc2s1	704506088	FQBUJSJKDGYXBZ-XHDPSFHLSA-N	247.407	4.511	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)C[C@H](C)CC(C)(C)C	709166350	OIDQMSACKWEYEC-ZNMIVQPWSA-N	242.447	4.882	0	10	BJAE	
CCCC[C@H](NCC)[C@@]1(C)CC[C@H](C)C1(C)C	710771180	YZSDCRINWOFBHQ-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)C[C@@H]3CCCC[C@@H]32)CC1	712388154	NJLIMDRGZBWEMY-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)CC[C@H]2C)c(C)c1	713056580	FPKFSGIOUPMIPH-CJNGLKHVSA-N	245.410	4.930	0	10	BJAE	
Cc1cc(N[C@@H]2CC(C)(C)CC[C@@H]2C)cs1	713057767	HZGZCNSKTRLJGF-GXFFZTMASA-N	237.412	4.683	0	10	BJAE	
CC(C)(C)C[C@@H](CNC(C)(C)C)C1CCCC1	713132781	KMPSZUJVFWMWOL-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@@H]1CCCC1(C)C	713764096	QAVVKXFDALAZAI-HABDOHHLSA-N	249.442	4.703	0	10	BJAE	
CC/C=C/C[C@H](C)c1ccc(Cl)cc1	714530825	GGBKBHJVMHWIDA-ZWNMCFTASA-N	208.732	4.800	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)c1cc(C)co1	718395574	MGQKAXMLMPRAND-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CC[C@H]1C[C@@H]1CC1(CNC2CC2)CCCCCC1	723072075	RHMNBRVKLNYVBN-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CCC(NCc2ccccc2)CC1	1177453686	CXPUIBIXHTXKCY-UHFFFAOYSA-N	245.410	4.525	0	10	BJAE	
CC1(CN2CCC[C@H]2C2CCCCC2)CCCC1	1308607540	NJGSKDVVQCEUJP-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCCCC1(NC[C@H]2CCC[C@@H](CC)C2)CC1	1461816021	YRRQTHRKLIRRJV-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H](NCC2CCC=CCC2)CC(C)(C)C1	1621079542	CLLMDFYAYHHHKK-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](Sc2cc(F)ccc2F)C1	1652534408	CXMJFNPUZBDYHE-KOLCDFICSA-N	242.334	4.636	0	10	BJAE	
CC=CCCCC[C@@H](C)COCc1ccccc1	1880244015	GEXJTHFGHHXZGJ-MRXNPFEDSA-N	246.394	4.976	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C1CCCCCC1	1900592930	DXZGNNIAAIITHU-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H](CCC=C(C)CC)C(C)(C)C	1900878312	OIWQQWUUZYLNPK-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H](C)[C@@H](C)C(C)C	1901648635	FXEUECIRJGGNQH-RRFJBIMHSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1ccc(Cl)cc1	1905385789	CMGVJFAEVOACMK-FZMZJTMJSA-N	240.774	4.590	0	10	BJAE	
CCCNCCC=C(C)C[C@H](C)CC(C)(C)C	1911923640	SUUPOIFIGYFTKW-HNNXBMFYSA-N	239.447	4.785	0	10	BJAE	
O[C@H]1CCCCCCCC[C@@H]1CCCCCF	1913402259	CYYXUYMMMZHKCH-CABCVRRESA-N	244.394	4.628	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@]1(N)CCC2(CCCCC2)C1	1915907915	JWNZNSLSJMZRFN-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1CC[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1921540800	IOLQSKYGYFWGBB-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@]2(CN)CCCC23CCC3)CCCCC1	1921634003	URVIEXKMSOFGCR-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(CN)CCCC23CCC3)C1	1921656420	GPECGVYYUPEXKP-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](C)C[C@](C)(CNC(C)C)C1CCCC1	1924074874	IJKPNEIIPIYIFA-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)[C@H]1CCCC[C@H]1C)C1CCCCC1	1924080014	ZZYBFBNMYXJYGH-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC2CCC1CC2)C1CCCC1	1924093726	SBEAZGONVFJMJD-QTISTPMNSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](c1ccoc1)[C@@H](C)C1CCCCC1	1924148037	INZVKNZCNQSIHB-XJKSGUPXSA-N	249.398	4.537	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C[C@H]1C=CCCCC1	1925891900	QHZGPWHQLMXQIW-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@H]1C=CCCCC1	1925916753	IHKKJEVXNIVHOP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)C(C)(C)C1CCC1	1925949595	SPVJBENEZLEDAS-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCNc1cccc(Cl)c1C	1926131010	DCUPAJIRUUUCSW-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)CC2CC(C)C2)cc1	1926945399	NEYUGXROSNDUBP-ICEJCHNJSA-N	246.394	4.670	0	10	BJAE	
CC(C)CC[C@](C)(O)CC1(C)CCCCC1	1935623259	PCHSIDVNNAUWHK-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@](CC)(CO)[C@H](C)CCC(C)C	1937168739	IYFGQIBYSHRIGF-HUUCEWRRSA-N	228.420	4.638	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCCCC1(C)CC1	1940845414	GOXCCYDSUWSPHQ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CCCC1(C)CC1	1940868787	IIXWEVPIDJPIAV-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)NCCC[C@H]1CC1(C)C	1940877546	RIHQFFLOTAXHPP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H](CCC)C(C)C	1941263179	MZXBAPGQWKSBLX-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC1(C)CC[C@H](CCCCCC2CC2)[C@H](O)C1	1941573859	UDWBHTPYJDVPKO-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@H](C)C1(CNC(C)C)CCCC1	1942658846	QKKLCPAOGGBPAB-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)C1CCC(C)(C)CC1	1942662492	NZUMTVPLSDEZPT-DZGCQCFKSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C[C@@H](C)C1CC1	1944533273	FXWCKWYVJQPWKT-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC[C@H]1CCC[C@H]1C)C(C)C	1944843234	QDXXXNLOVDFRGX-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CCC2=CCCCC2)C1	1945578303	FBLWGRSKUBBPPR-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccccc1SC	1947466426	YHTBDQSRNQVDQP-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
C[C@H]1CC[C@@H](NC2CCCCCCCCC2)C1	1947880775	HHBQHQZJURFJNP-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3CC[C@H]32)c(C)cc1Cl	1948821265	RMZNSHHBHJFIKP-YRGRVCCFSA-N	249.785	4.557	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC[C@H](CCN)C1	1950493361	GXJSSXCEZQHYJI-ARFHVFGLSA-N	239.447	4.748	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1CCCC(C)(C)CC1	1950922427	NSCUKHZAUWMSEV-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C2CCCCCC2)CC1	1950928905	BSFYARRWDMIMKK-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc([C@H]2CCCCN2CCC(C)(C)C)o1	1964148447	KXFRPJNQHYSXOR-CQSZACIVSA-N	249.398	4.551	0	10	BJAE	
Cc1cccc(OCC[C@@H]2CCC[C@H](C)C2)c1	1968270731	NOSOKZBYMDCVRT-ZFWWWQNUSA-N	232.367	4.590	0	10	BJAE	
Cc1ccc(N[C@H](C)C2(C)CCC2)c(Cl)c1	1968288964	GXFLWWYMZWZMIC-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CCC(CC)N(CC(C)C)C[C@H]1CC[C@H](C)C1	1971358609	FDRINADMYVXKBV-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cscc1C(F)F	1976004223	VROFTARCBILEMZ-SNVBAGLBSA-N	248.338	4.545	0	10	BJAE	
Cc1ccc(C)n1[C@H](C)CC1=CCCCC1	1977161324	IHNSORGAGHVWMV-CQSZACIVSA-N	217.356	4.556	0	10	BJAE	
CC(C)=CCC[C@@H]1CCCCCCCC1=O	1980316818	ABJWGZXZDKXIFK-AWEZNQCLSA-N	222.372	4.662	0	10	BJAE	
CCC1(CC)CCC(O)(C(C)(C)CC)CC1	1981065026	FODSMGUIWFEXLQ-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CSCCCCC(=O)C[C@@H](C)CC(C)(C)C	1981568123	KTFHDWNSOZHWOZ-GFCCVEGCSA-N	244.444	4.551	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1cscc1F	1982842747	YJVCPHUUHXCKDX-ZWNOBZJWSA-N	244.375	4.527	0	10	BJAE	
CCCCC[C@@](N)(CC)[C@@H](C)CCC(C)C	1990092302	XRFCADZDJWCBSY-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
CCCCC[C@H](CC)[C@H](NCCC)C(C)C	1990094471	WDYIXCRCVVFJSP-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)CN(C)CC(CC)(CC)CC	1990818007	SVSDKAQNLNPEOE-CQSZACIVSA-N	227.436	4.571	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2C[C@@H]3CC[C@@H]3C2)n1	1992832882	UOJGBLKTQKSSFW-NNYUYHANSA-N	235.396	4.560	0	10	BJAE	
C[C@H](Nc1ccccc1)C1CCC(C)(C)CC1	1996551398	CKLDLCOJFKBVHH-ZDUSSCGKSA-N	231.383	4.703	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](C)(O)C1CCC(C)CC1	1996551773	GQKJESUIVKUTHU-KNIAUWFNSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC[C@@](N)(CC)C1CCCCC1	1996593009	FCGQYXDLLGWJDT-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)C[C@@]1(N)CCCC2(CCCCC2)C1	1996646107	BERAFAXGTRMVKH-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)CNC[C@@H]1CCC[C@H](CC)CC1	1997101023	VLKGCPLSWFHHSU-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)CCC2(CCC2)C1	1998692586	DZZVZZIHYVDIHV-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C(CC)CC)[C@@H]1CCCC(C)(C)C1	2000044024	GDXQITXYFXDLCV-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@]2(C)CC=CCC2)C1	2000094313	NIODNKUHYALCSS-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@@H](O)C[C@]1(C)CCCC1(F)F	2002575271	CBNSSVPKMOLILW-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(O)[C@@H]1CCCC(C)(C)C1	2003005426	JRBVPKHTNXKQBU-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C)[C@@H]1CCC[C@@H](C)C1	2003027086	KNTSHQJFZYZBLS-FVQBIDKESA-N	237.431	4.537	0	10	BJAE	
CN[C@@H]1CCCCCC[C@@H]1C[C@H](C)C(C)(C)C	2003099620	MBNHOLQSLKDYHD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CCCCCC[C@H]2N)C1	2003100132	PCDWLXBVJHDKBA-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CC[C@@]1(O)CCCC2(CCCCC2)C1	2004224940	ALQGBAYJCALDMY-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCCCC12CC2	2005533761	YXTLCIJDJGUBDZ-CQSZACIVSA-N	247.407	4.543	0	10	BJAE	
CCC1CC(C[C@H](O)C[C@H](C)CC(C)(C)C)C1	2007763525	LLOONIKZDIYCOW-VXGQWTEUSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2C=CCCCC2)CC1	2009409457	BKMWFQVQNSNEIL-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
C/C=C/CCC[C@H](N)C1(CC(C)C)CCCC1	2009618716	DZQGNODDTZJJPR-RGDDUWESSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@]1(CC(CC)(CC)CC)CCCN1	2009768060	BNRDNXVUQXJNRQ-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCCCC1CC([C@H](CCC)NCCC)C1	2009803466	AQCROMMCBKRNFC-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CC(=O)CC2(CCC2)C1	2012084220	MMUFRVOLZRMOAW-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
C[C@]12CC[C@H](Nc3cccc4ccsc34)[C@@H]1C2	2013056972	HNDJRYOGBKCRPA-SLEUVZQESA-N	243.375	4.502	0	10	BJAE	
CC(C)C(CCC(=O)C1(C)CC=CC1)C(C)C	2015390177	IFRLRQYHTYUOSI-UHFFFAOYSA-N	236.399	4.620	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)C[C@@H](C)C(C)C	2015397772	JDLVVWHRYWRWAM-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@](C)(CNCC(C)C)CC(C)=C(C)C	2017461205	GYTAOQQJXSXQBF-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CCCCC[C@@H](C)NC[C@H]1CC[C@H](CC)CC1	2017663425	SQIGQGSDQOACME-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(C[C@](C)(N)CCC(C)C)CC1	2017727610	BRCGIFPTLWCXGZ-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)CC2CCCC2)CC1	2017731412	RCYCQXDDVUFRCJ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)C(C)(C)CC	2017745328	ABAZNGNWNDKOOX-CYBMUJFWSA-N	233.399	4.794	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CCCC23CCC3)sc1C	2017989221	HGBANOPXRZFXCQ-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCCC1(C[C@](N)(CCC(C)C)C2CC2)CC1	2018972260	CFWAFVUQOZULQV-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CN(CC(C)(C)C)C1CC1	2019195386	VMOCDPQNCZYHGL-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCc1cc(-c2cc(C)cc(Cl)c2)ccc1O	2020680635	IOVITJDWEWSZDV-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
CC=C(CC)[C@@H](N)C1CC(C)(C)CC(C)(C)C1	2020965452	LLXAGLBWXVGUPQ-CQSZACIVSA-N	237.431	4.523	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1(C)CCCCC1	2020972614	WOVORVKSDRASJJ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CCCCCC(C)(F)F)NCC	2023298458	AHQSSXIMVICKGU-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CC[C@@H](C)C1	2023318756	JBACRIZXRHZQNZ-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](N)(CCCCC(C)(F)F)CCC(C)C	2023344910	YXDSFLSCYXEJFR-CQSZACIVSA-N	249.389	4.746	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@H](C)CC(C)C	2026164312	RRWCFTUQSJTCLR-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](C=C(C)C)c1ccccc1CCC	2027901399	KVLBQRIKIHCEFI-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNCC2CCC=CCC2)C1	2028891458	IECRZKWLPWBBTG-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC(C)NC[C@]1(CCC2CCCC2)CC12CCC2	2032135286	MHOOHHNQVOUEEH-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H]1NCC12CCCCC2	2034045442	ZBYZGXBRPILUMF-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H]1N[C@@H](C)c1cccc(C)c1	2035422997	LYRVFEZAEWHRHW-YQQAZPJKSA-N	245.410	4.614	0	10	BJAE	
CC(C)(C)NCCCCCCCc1ccccc1	2036114694	FTFMRIRZYZVOFQ-UHFFFAOYSA-N	247.426	4.568	0	10	BJAE	
CC1([C@H](N)C[C@@H]2[C@H]3CCCC[C@H]32)CCCCCC1	2037185528	IWMIYWAFTAFYIU-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)CC1CCC=CCC1	2037207595	BQNZYNHWNPVWIV-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc(C)c1N[C@@H]1CCC2(CCCC2)C1	2037576915	STRIAAPPBJCGJD-OAHLLOKOSA-N	243.394	4.828	0	10	BJAE	
CCC[C@H](CNC1CC1)[C@H]1CCC2(CCCC2)C1	2037706475	XVJKAHRBQBGMOB-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CC2(CCC2)C1)C1CCCCC1	2037971866	GRQSBURTLHARLZ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CC(C)(C)C1)C[C@H]1C=CCCC1	2037973284	WTHPTCUQSMRUDH-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C[C@]1(CNC2CC2)CC12CCCCC2	2039000770	VDVBQYAZJFBGSS-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@@H](N)[C@@H]2CC23CCCCC3)CC1	2039079690	TXPGNJNWRINYDO-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CCC[C@H]1CC1(C)C	2039433346	BGJQXRNTLNPQND-JONQDZQNSA-N	249.442	4.523	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@]1(C)CC=CCC1	2042031672	VSZCIIAURIZQOB-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
O[C@@H](CCC1CCC1)c1ccc(C2CCC2)cc1	2042747691	PZLXAWQOYFBUQT-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@@H]1C=CCCCCC1	2043194995	QTKFSRGWFFRWST-NVXWUHKLSA-N	247.426	4.744	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2CC3CCC2CC3)C1	2045459953	JQCRKXQCUGAOMN-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C2(N)CC3(CC(C)(C)C3)C2)C1	2045504525	KVPQRUUQFPQBGR-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@@H]1C=CCCCC1	2045982907	XZRXAPZWHZNMPA-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
NC1(C[C@H]2C=CCCC2)CC2(CCCCCC2)C1	2046232086	RMBHSODHIGNOEI-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1CCC[C@H](N2CCCC23CCCCCC3)C1	2046563166	BQBBCESGBFBTCW-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
CCCC1([C@H](C[C@@H]2CC23CCCC3)NC)CCC1	2047007846	KUJCBERSENQWSW-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@H]2CC23CCCC3)C1	2047024198	SFNFTVZNBSNBPG-CFVMTHIKSA-N	246.394	4.518	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@H]1[C@H]2CCCC[C@H]21	2048439075	GQGAJOXAXDRFBU-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCC1CC([C@@]2(CNC(C)(C)C)C=CCCC2)C1	2048637467	NQBBEFCKESOBLW-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@](N)([C@H]2[C@H]3CCCCC[C@H]32)CC1	2049225301	NLMFNKXNYVHHFT-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCC2(CC1)CC2)C1CCCCCC1	2049854238	JFZWLSOKAVWWRQ-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(N)C3CCCC2CCC3)C1	2050012537	RZGVVGQGPDIGEE-KPLZDEIPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCCC(C)C)c1ccccc1C	2050459297	VSHKBEBLXKDKPN-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CC1(C)CCC[C@@H](N2CC=CC23CCCCC3)C1	2051892134	NQASBCFKCQLVPE-OAHLLOKOSA-N	247.426	4.530	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCCCC23CC3)CC1	2053333322	VCLXNOMBXXVYFF-PCKAHOCUSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)NC[C@]1(C2CCCC2)CCCC12CC2	2053354404	FSDZGMQGXPIPCK-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@@H]2CCCCC23CC3)CC1	2053435007	ZHAQGPVJWPQUGS-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](C)Nc1cnccc1C(C)C	2053853429	IRTCBAYJATVNRW-AWEZNQCLSA-N	248.414	4.976	0	10	BJAE	
CC[C@H]1C[C@H](NC)C[C@@H](C[C@@H]2C=CCCCC2)C1	2055036508	XNJGVCMJLGRHBU-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
F[C@H]1CCCC[C@H]1Nc1ccc2ccccc2c1	2055158565	HCQGSLIHEFIZMU-JKSUJKDBSA-N	243.325	4.532	0	10	BJAE	
C[C@H](CNc1ccc(CF)cc1)C1CCCCC1	2055678487	RCHUHOZPQGAGAG-CYBMUJFWSA-N	249.373	4.784	0	10	BJAE	
Cc1cccc(C(=O)[C@H]2CCC[C@H]2C(C)C)c1C	2056447512	CHLOSMIDKODFMM-HOCLYGCPSA-N	244.378	4.558	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2CCC3(CC3)C2)CC1	2056536280	NTLFYBZKTBJQBI-BBBYJDLNSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C1=CCC(C)(C)CC1	2061111915	AIZWLLMVEQJJNW-BMFZPTHFSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@](C)(N)CC2CCCC2)CC1	2061114023	UUSMPRODCPGHDB-RDJZCZTQSA-N	249.442	4.667	0	10	BJAE	
C[C@H](C[C@H]1C[C@@H]2CCC[C@@H]2C1)c1ccc(N)cc1	2063488250	AQUYBGNFPGQUAF-XOUADPBQSA-N	243.394	4.589	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063523757	FNEAISKDPCLIHL-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C[C@@H](C)C(C)C)cc1	2068977523	NNRCVWOUFZTRPM-CQSZACIVSA-N	246.394	4.750	0	10	BJAE	
CC(C)C(C[C@@H](C)[C@H](N)c1ccccc1)C(C)C	2069019398	OSMFWPZNQMQVDJ-PBHICJAKSA-N	247.426	4.641	0	10	BJAE	
CCCC1(CC(=O)C2C[C@H]3[C@H](C2)C3(C)C)CCC1	2069279286	UWMLGDRXRWJXKA-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@H]1NCC1(CC2CC2)CCC1	2069505658	RCHMYLHQDBHBMA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NCC)c2c(C)coc2C)CC1	2074650180	BJGULVCDCGWNLY-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCC[C@H]1C1CCCC1	2074897796	YHDHMKSBQSRKSY-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CC[C@H](Nc1ccccc1C1CC1)C1CCCC1	2077262191	OBLNZMWYKVOUCU-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CCC[C@H]1C[C@H]1CNC1CCC2(CCCC2)CC1	2079451966	UNXKDXRECXJARE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@H]2C[C@@H]2C(C)(C)C)C1	2079868341	ZBMLMWKPVJUDMP-ATGSNQNLSA-N	248.410	4.620	0	10	BJAE	
CC(C)CNC[C@]1(CC=C2CCC2)CC[C@H](C)C1	2081681714	DQBFBHCTFAJMSO-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@@H]1CC2CCC1CC2	2081796335	SCBAKWBOSBTSDP-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H](N)CCCCCCCC1CC1	2210527655	UUSVKFSGXBCRRE-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)Nc1cc(C)c(Cl)cc1F	2210738519	WVJRLFYAFBGFHZ-JTQLQIEISA-N	243.753	4.778	0	10	BJAE	
CCCC(C)(C)[C@H](CC[C@@H]1C[C@@H]1CC)NCC	2215252981	NYIIEHFZRJRKDG-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC[C@H]1C[C@@H]1CC)NC	2215253686	OVHNMPFHSISWCS-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC1(O)CCCCCCCCC1	2215305490	YADOGEYCHNPQBA-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](C)[C@H](C)CCCCCCCC1CC1	2216878460	CQVACUMOUYYODA-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H](C)[C@H](N)CCCCCCCC1CC1	2216880008	PQWRHQMPDGPHCT-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)NC[C@]1(CCC(C)(C)C)C=CCC1	2217129150	JRMNFXXHRXUQEQ-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CCC[C@H]2CC[C@H]21	2218720469	JEQBTXXYTSOFME-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@H](CCCCC2CC2)c2ccccc2N1	2220047208	WITVPSIAIBHIKQ-ZFWWWQNUSA-N	243.394	4.945	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)CCCCCC2CC2)CC1	2221615330	LDYJFGULBUAGFK-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CC=C([C@@]2(N)CCC[C@@H](C(C)(C)C)C2)CC1	2222254342	BHUNSOOSPPDIMJ-FRFSOERESA-N	249.442	4.667	0	10	BJAE	
C[C@]1(C2CC2)CCCN1CCCCCCC1CC1	2222773760	KJBRGJYFBLBNMD-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CCC1CCCC1)N2	2224126352	ZXXCLBLQIUAHOE-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
Cc1cscc1NCC[C@@H]1CCC[C@H](C)C1	2242789848	FDVKSTXONNTFOC-AAEUAGOBSA-N	237.412	4.685	0	10	BJAE	
Cc1cc(N[C@H](C)c2ccc(F)cc2C)cs1	2248962443	NBESMFFDYXHXGB-LLVKDONJSA-N	249.354	4.677	0	10	BJAE	
CCC(CC)[C@@H](N)CC[C@@H](C)CCCC(C)C	2250479901	ZMLBZAANIZQDQQ-HOCLYGCPSA-N	241.463	4.993	0	10	BJAE	
CC[C@H](N)[C@](C)(F)CC[C@H](C)CCCC(C)C	2250480093	BRMBAJDGNUWLLS-QLFBSQMISA-N	245.426	4.695	0	10	BJAE	
CCC[C@@H](C=CC[C@H](C)CCCC(C)C)CN	2250514491	PUZOEGMGKYDIFF-CVEARBPZSA-N	239.447	4.770	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1ccc2ccsc2c1	2253053437	IPQYWLGTXTVPML-NHYWBVRUSA-N	247.407	4.727	0	10	BJAE	
CC1([C@H](N)CC[C@H]2CCCCC23CC3)CCCC1	2253848187	BXBYLSJXUNRWLL-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC1=C[C@@](O)(CC[C@H]2CCCCC23CC3)CCC1	2253890078	ORCIUKXCPGTCJX-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
C1CCC(CNCC[C@H]2CCCCC23CC3)CC1	2253894783	OIMHCZZDWQPAER-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
Cc1cccc(C)c1C(=O)CCCC[C@@H]1C[C@@H]1C	2254605000	KZJBTUWCNHUQBT-LSDHHAIUSA-N	244.378	4.703	0	10	BJAE	
CCCC1([C@@H](N)CC[C@H]2CCCC23CC3)CCC1	2255254833	YOBACCQOYJAGFE-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)C1CC2(CCC2)C1	2257254019	FKPFURAFWXCOJI-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccccc1C1(C)CC1	2259439840	YOKPQZHSGIMPOH-CYBMUJFWSA-N	244.378	4.747	0	10	BJAE	
CCC1([C@H](C[C@]23CCC[C@H]2CC3)NC)CCCC1	2260613843	XUXQUTBLUOOPHG-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@]23CCCC[C@H]2CC3)C1	2260625638	SUIAPRHNISGINZ-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](C[C@]23CCCC[C@@H]2CC3)N1	2260626601	WXJWZTRRHIOVJG-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@H](C)CC1CCC1	2298869773	LOSKWBBFBACGPR-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC(C)=CCN(CC(C)C)C1CCCCC1	2300886122	RAVUBMNTEKKDPE-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CC1CCCCCC1	2301148762	YQBDTJAVIHMZPQ-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)CC1CCCCCC1	2301239632	RMURIFYDDHPXRS-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@H](C)C(C)C)C1CCCC1	2301715032	SUTRYWXASQNIHZ-FMKPAKJESA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)[C@@H](C)[C@@H](C)C(C)C	2301833570	SKNMBGWEQLXOMA-CAOSSQGBSA-N	241.463	4.560	0	10	BJAE	
CC[C@](C)(CNCC(C)C)[C@@H](C)[C@@H](C)C(C)C	2301834135	WRMWBPVWMKBPML-HRCADAONSA-N	241.463	4.577	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@@H](C)[C@H](C)C(C)C	2301956758	VMZNDTAQKHUZQV-FXUDXRNXSA-N	241.463	4.719	0	10	BJAE	
CC[C@@](N)(CCCC1=CCCCC1)CC1CC1	2302348680	GCSAJAJPEFLYER-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCC[C@@H]1C[C@@H]1C	2302610919	NOJLWUZKQKNLQG-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H]1CC[C@H]1C(C)(C)C	2303395059	NLUFHCYSJREZFG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)c2cscc2C)CC1	2303533320	WGDPYIXNLWMFNU-HIFRSBDPSA-N	249.423	4.583	0	10	BJAE	
CC1=C(C)C[C@@](CN)([C@H](C)CCC(C)C)CC1	2303580717	XLICGRLTOVPREN-CVEARBPZSA-N	237.431	4.524	0	10	BJAE	
CCCC[C@H](CC[C@H]1CCC(C)=C(C)C1)NC	2303582074	DINDPWBNGASOOM-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)[C@H](C[C@H]1CCC(C)=C(C)C1)NC	2303595363	SCQLCFVSFKWZOA-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@H](CC1CC1)C1CC1	2303830833	ZSBZNWPZSFBJSP-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(CC[C@@H]1CCC(C)(C)C1)C1CC1	2304437141	WCVGXEMUYOHAGA-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1(CC2CC2)CCC1	2307820439	YLRDIHLPFWNLEI-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CNC2(CCCCC2)C1	2307826439	MLELRONZQGWPJH-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)Cn1ccc2c(F)cccc21	2307901693	IVXDSCBBKWLTCW-GFCCVEGCSA-N	233.330	4.607	0	10	BJAE	
NC1(C[C@H]2CC[C@@H]3C[C@@H]3C2)CCCCCCCC1	2309406231	VHIBFAAOHCBBHG-XHSDSOJGSA-N	249.442	4.645	0	10	BJAE	
C[C@@]12CC[C@H](Nc3ccc(C4CCC4)cc3)[C@@H]1C2	2310554823	MRZBBNPARHRVNJ-ULQDDVLXSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C[C@@]23CCCC[C@@H]2C3)C1	2311145650	DOSRFOZYJWQOBP-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@@]23CCC[C@@H]2CC3)C1	2313294922	JGHTWROSICMOPO-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)C1(N)CCC2(CCCC2)CC1	2313666352	GNYLMSCJPPJFMG-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CCC(C)=CC[C@](N)(CC)c1ccc(CC)cc1	2316561397	ZRVZJVBYHUPBLF-QGZVFWFLSA-N	245.410	4.559	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC1[C@H](C)C[C@H]1C	2316594785	MOEAXUQXGXIELA-CHWSQXEVSA-N	245.410	4.576	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C(=O)C1	2317009553	XOJHOBFRJKVFPE-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(NC[C@@H]2[C@H]3CCCCCC[C@H]32)CC1	2318366352	FYLCZMNTHJXINV-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
COc1ccc2cc(CCCC(C)C)ccc2c1	2318388704	DYVFEFCKGCYEHZ-UHFFFAOYSA-N	242.362	4.827	0	10	BJAE	
C[C@H](NCCCC1=CCCCC1)C1CC(C)(C)C1	2318531505	LSAAXHUUASPOPI-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1[C@@H](N)CCCC1=CCCCC1	2318566237	VPJYNBXFWGQFDK-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CCNCc1cc(CC(C)(C)C)cc(C(C)C)c1	2318572823	KKULJMAHHBVMDD-UHFFFAOYSA-N	247.426	4.508	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(O)C=CCCC2(C)C)CC1	2320326165	CRSAMCGZFFXUOF-DOTOQJQBSA-N	248.410	4.620	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CCC(C)(C)C[C@H]2C)CC1	2320411166	IBDFOFKFLRHSJL-BZUAXINKSA-N	249.442	4.680	0	10	BJAE	
CC1([C@@](C)(N)[C@@H](CC2CC2)C2CC2)CCCCC1	2320784114	MGUVQVIHWUZOFN-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC12CC(C(=O)CCC[C@@H]3C[C@H]3C)(C1)C2	2321572013	PKEXORAIICXZPK-QBBMROGASA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)CC3CCC2CC3)C1	2321643044	UFTVZRWKKZQLNE-INTUILBWSA-N	249.442	4.501	0	10	BJAE	
CCCCCCc1ccc([C@H](O)[C@@H](C)CC)cc1	2327898682	INIAERNIMGLTKB-WMLDXEAASA-N	248.410	4.889	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H](C)CCC(C)C	21791759	CAWRAAUPODZPQL-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCOc1ccc(C(C)C)cc1C(=O)CCC	36201554	DMNMLTLIDIYDOB-UHFFFAOYSA-N	248.366	4.582	0	10	BJAE	
CCC[C@H](C)CN[C@H](CCC)c1ccccc1	37062369	NDJYDFAZQUEDDK-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
CC[C@H](Nc1cccc(F)c1C)c1ccccc1	43319456	NKQCZJGRCNNFOA-HNNXBMFYSA-N	243.325	4.697	0	10	BJAE	
CCCC[C@H](CC)CCC[C@H](CC)NCC	70746565	GWCCXKUXUDWFFA-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CC(C)CCCc1ccc2ccccc2c1	78214663	KIDFODOUMVUZFT-UHFFFAOYSA-N	212.336	4.819	0	10	BJAE	
CCCCCCSc1cc(N)ccc1Cl	85929507	LVWZQCSUKVDLST-UHFFFAOYSA-N	243.803	4.595	0	10	BJAE	
CCCC[C@H](NC(C)C)c1cccc(C)c1C	93074316	RPMPKKYFUXBTEF-INIZCTEOSA-N	233.399	4.533	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2cc(C)cc(F)c2)C1	93979103	KUKYMUNTHDKRNG-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
CC[C@H](CC[C@@H](C)N)c1ccc(C(C)(C)C)cc1	107537844	HNNHKTNUJRIUJH-ZIAGYGMSSA-N	247.426	4.605	0	10	BJAE	
CCCC[C@@H](NCCC)c1cc2ccccc2o1	112901119	ZAYVWOWCJMYRDF-CQSZACIVSA-N	245.366	4.664	0	10	BJAE	
CCC[C@H](NCC)c1c(C)ccc2ccccc12	127168923	HUWAGBYVHXPRDQ-INIZCTEOSA-N	241.378	4.599	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)c1c(C)ccc2ccccc12	160965723	ODDGDKVCZZIFDD-CXAGYDPISA-N	242.362	4.618	0	10	BJAE	
CCCCCC(CCCCC)NC1CC(C)C1	163662083	WLDIEZZCJFMWGA-UHFFFAOYSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCCC[C@@H](N)C1	227157362	QYJOZEQEXMCUDJ-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CN[C@@H](C)c1cc(C)c(C)cc1C	232969876	WHGBPRCXUJEPIF-HNNXBMFYSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C2(C)CCCCC2)C1	233917126	AEZXWKDKJRRMJT-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCCC[C@H]1C(C)(C)C	251269775	DZUICHXAAPARDJ-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1	251712457	RJSKQUBRZXAQEV-YLZDHBLKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	252216448	XUXVYOVPLUKOSX-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H](CC(C)C)C1)C(C)C	300307289	CIBWLVWLNJJJIV-OAGGEKHMSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)c1cccs1	300978153	TUJNBKQSOUWTKA-GXTWGEPZSA-N	239.428	4.615	0	10	BJAE	
CC1(C)CCC[C@](N)(CCC2CCCCC2)C1	302250034	KJXPEGJKSOIOAA-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1c(C)c(C)cc(C)c1C	302480631	YRCTZJDACILHSM-GTNSWQLSSA-N	247.426	4.746	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@H](C)CCC(C)(C)C)c1	302509859	MYDKWEJGAPHLBM-HUUCEWRRSA-N	247.426	4.860	0	10	BJAE	
CSc1csc2c(Cl)c(S)ccc12	306660624	QOJONRKRLVWMFS-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1c(SC)sc2ccc(Cl)cc12	306777751	NPSIBOWNPDDQTH-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1ccc(CC)c2sc(Cl)cc12	307100232	XRJYZYJSFNPPMW-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
Clc1ccccc1N[C@H]1CCc2ccsc21	309580503	QDAMOJNUUKBZKH-LBPRGKRZSA-N	249.766	4.501	0	10	BJAE	
CN[C@@H](c1c(C)cc(C)cc1C)[C@@H](C)CC(C)C	310616066	APUPUAFIYBFEMF-DOTOQJQBSA-N	247.426	4.555	0	10	BJAE	
CN[C@H](c1c(C)cc(C)cc1C)[C@@H](C)CC(C)C	310616068	APUPUAFIYBFEMF-RDJZCZTQSA-N	247.426	4.555	0	10	BJAE	
CC[C@H](N[C@H]1C=CCCCCC1)C1CCCCC1	310663292	XFTBFBAVSXUVQQ-IRXDYDNUSA-N	249.442	4.824	0	10	BJAE	
CCC[C@H](N[C@H](CC)C1CCC1)C1CCCC1	313446307	RAPVGXCQLOTWIW-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CNC[C@]1(CCCC(C)(C)C)CCC[C@@H](C)C1	316897822	JMAWCTZODDWRNT-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CNC[C@@]1(CCCCCC(C)C)CCC[C@@H]1C	317000895	HKPLZISJMKZCHB-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@]1(CNCC)CCC[C@@H](CC)C1	317125402	DFTYJUQOIWYPLA-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC(C)(C)C)CCC[C@H](C)C1	318522468	IGBGVPRTGSNAOW-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(CCC2CCCC2)CC=CCC1	318859594	BQLLGWYJVPCBAU-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](CN)c1ccc(C(C)C)cc1	319553630	GVJAKGVCAJTKMM-ZQIUZPCESA-N	247.426	4.535	0	10	BJAE	
Cc1cc(F)ccc1OCCCCCC(C)C	383264317	MIXLFEPZCTZKCE-UHFFFAOYSA-N	238.346	4.729	0	10	BJAE	
CCN[C@H](CC[C@H](C)C1CCCCC1)C(C)C	384171846	WVBXZCOLNHFINY-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)Cc1cccc([C@@H](N)CCC(C)(C)C)c1	384530113	BKYOVYMQGGNEKS-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)CC(C)(C)C	384834359	GGOYYLJLLPFUJJ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCNC[C@@H]1CCCC[C@@H]1CCC1=CCCCC1	384994389	UHFLLNLWKLQISU-SJORKVTESA-N	249.442	4.683	0	10	BJAE	
Cc1cccc(F)c1N[C@H](CCC(C)C)C1CC1	385466498	DMPLNGRFYWVAHC-OAHLLOKOSA-N	249.373	4.761	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc2sccc2c1	386216848	IVXYNWNTQAGBNX-CQSZACIVSA-N	247.407	4.872	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)c2cc(C)ccc2C)CC1	392882851	ONTOOXATGIJRDR-ZOBUZTSGSA-N	246.394	4.553	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1CCCC12CCC2	394869144	RDTYCKDYFSTHEU-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCc1ccc(C(F)F)c2cc(C)sc12	396204645	WFMGMAXFILEOCA-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1c(C(F)(F)F)ccc2sc(F)cc12	396295254	IQVHPYNOQAEJEU-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CCCCNCC(C)C	401615929	NMBORPWRYICXIX-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)C[C@@H]2CC=CCC2)c1	402172239	XPXOEVTYOMBWDP-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CC(C)(C)C1CC1	405727866	KSFXMNHKMBNOSL-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)CC(C)(C)C2CC2)C1	405750506	COCJFWFHXNLQCS-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
Cc1cc2ccccc2n1CCCC1CCC1	688857962	YIYMRIZKIQDZJX-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCCC2CCC2)CC1	688991073	AABMHZDRPFHPIR-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCNCC1(CCC2CCCCC2)CC=CC1	690533348	JGHXYVCIQLDMSO-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1cccc(C(C)(C)C)c1	691710789	LNCKDBZEINPJDR-ZDUSSCGKSA-N	246.394	4.849	0	10	BJAE	
CCCC1([C@H](O)c2ccc3sccc3c2)CC1	691827959	HUJPMBVNXGZIKU-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CCC12CCCC2	694472677	JVHDGZYRNXNIBP-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCc1ccc(CC2CCCCC2)cc1F	694939879	AIVPQYHZDRBLHL-UHFFFAOYSA-N	220.331	4.511	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)c1cc(C)cs1	696549419	HRHINOAIHNQIMW-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CO)C1CCCCC1	696825239	XLSGWORUBMJLCB-HOCLYGCPSA-N	240.431	4.782	0	10	BJAE	
CCOc1ccc(NC[C@H](C)CC(C)(C)C)cc1	709212790	LFHKZKKDLWSAGB-CYBMUJFWSA-N	249.398	4.570	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccc(C2CC2)cc1	709659303	NOTCGLQUOPIYQY-LBPRGKRZSA-N	231.383	4.801	0	10	BJAE	
CCC[C@@H](C)CC1(O)CCC(C2CCC2)CC1	710200913	SDFHRHZDBJNDTE-IUDNXUCKSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@H](N)C23CCC(CC2)CC3)CC1	710261098	DTVIILJPSQWVHT-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@H]1CCC[C@H]1CCC(C)(C)CC	711291591	CMTWXRQMAFQWCG-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H](C2CCCC2)C2CCC2)C1	711830295	CZCFEFFTUAWATP-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC(=O)CC1CCCCCC1	713326381	OUSFJFMJWVNBGF-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC1(C)C[C@@]1(C)CNc1cccc(C2CCC2)c1	717124416	HDLZQCZGJXPGON-KRWDZBQOSA-N	243.394	4.802	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1c(C)sc(C)c1C	722474263	FZPSZEYQXTUVEO-GFCCVEGCSA-N	240.412	4.533	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)C[C@@H]2CC2(C)C)c1	722878915	ADUXSBLTTUXFQB-CQSZACIVSA-N	244.378	4.603	0	10	BJAE	
Cc1cccc(C)c1-c1ccc2ccccc2n1	725430170	DCDHSQOZRYKMRX-UHFFFAOYSA-N	233.314	4.519	0	10	BJAE	
Cc1ncc2ccccc2c1-c1ccsc1C	1240503101	FIKQIZARCRNZFE-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C[C@@H]3CCC[C@H]32)CC1	1621099629	GWXRLJVKGDEMOE-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
C1=C(CN2CCC[C@H]2CCC2CCCC2)CCC1	1652910266	YJPBGITYIYUWOR-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NCC1(C)CCC2(CC1)CC2	1875709308	UIQGTZUXIAPUFR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H]1CCC(C)(C)C1	1902272677	WMSCQSIJKJTAAR-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@](N)(CC)CCC(C)C	1905367379	WODJTZZFZMUCIC-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1CCCCCC1	1905455223	YNSDDJXRXOHOQD-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(O)CCCC(C)(C)CC1	1908554730	GQBOAPPWINOUDN-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@]1(N)CCCC(C)(C)CC1	1908569786	GEQYLWRBRUMIKQ-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@H]1CCCC(C)(C)C1	1908592365	SYQJZNNAFPAULF-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
O=C1CCCC[C@@H](CCC=Cc2ccccc2)C1	1912036957	INIYZHWDADDTSU-MRXNPFEDSA-N	242.362	4.629	0	10	BJAE	
CCc1ccc([C@](N)(CC)CCCC(C)C)cc1	1920447384	FCXQCWMCQPZMAK-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC1CCC(C[C@H]2C=CCCCC2)CC1	1925820037	NWYFEWQSERCHDB-SLTAFYQDSA-N	206.373	4.949	0	10	BJAE	
CNC[C@@H]1CCCCC[C@H]1C[C@@H]1C=CCCCC1	1925890201	DMEMRIFAXPQVPN-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCCC1)[C@@H](C)CC	1925917634	ZQIVEHYFTKJLQF-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)c1sccc1C	1938537078	PDGZDPXFSNTPNG-OLZOCXBDSA-N	239.428	4.676	0	10	BJAE	
CCN[C@H](CCC1CCCC1)CCC1(C)CC1	1940789816	GRRMNAYPFFMUGR-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1(NCCCCCC2CC2)CCCC1	1941585530	TYAXJXPPYGIKHL-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2CCC[C@H]2C)cc1	1944849753	OSNKOLNJBLADAZ-UKRRQHHQSA-N	231.383	4.658	0	10	BJAE	
CC=C[C@@H](C)N[C@@H](c1cccs1)C1CCCC1	1947046768	IEINZFXQSKTCOJ-IUODEOHRSA-N	249.423	4.534	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1C=CCCC1)NCC	1947590825	ZGVZUYYBGMEQEP-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)C[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	1948587634	SUSLNAXFXMDAPJ-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c([C@H](N)CC2CCC=CCC2)s1	1949081365	LHRYRJOVYJNFHB-CQSZACIVSA-N	249.423	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCC1CC(C)(C)C1	1949860039	QMIQXQXSWPPHDA-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCCC(F)(F)C1	1959892235	ZWPLJFMFLRIXRC-LBPRGKRZSA-N	216.315	4.948	0	10	BJAE	
CCCC[C@H](CC)CN1CCCCC(C)(C)C1	1971706557	UGJHTKKYDVOHIC-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C1(C)CCCCC1	1975571067	NWOHLMOEDJMHCL-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)c1csc([C@H]2C[C@@H]3CC[C@@H]3C2)n1	1992832883	UOJGBLKTQKSSFW-WISYIIOYSA-N	235.396	4.560	0	10	BJAE	
CCCCC[C@](N)(CC)c1cc(C)c(C)s1	1993986200	GUYLFVAYFQEYBT-CQSZACIVSA-N	239.428	4.509	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1ccsc1C	1995261359	DHMIMNBQBYHFSW-FZMZJTMJSA-N	239.428	4.663	0	10	BJAE	
CCCCCCc1nc(C[C@H](C)CC)cs1	1995461344	KICJMQYFPNQLGK-GFCCVEGCSA-N	239.428	4.855	0	10	BJAE	
CCC[C@H](C)[C@](O)(CC)C1CCC(C)(C)CC1	1996549487	VXIHYXXYZREVNZ-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
OC1(C[C@@H]2CCC=CCCC2)CCCCCC1	2000001332	LERVBMJYMCYZRC-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2001494822	OFCTYYJAWHPMKR-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(NC[C@]2(C)CC=CCC2)cc1Cl	2001700418	SCQDFFHTGGEPFK-OAHLLOKOSA-N	249.785	4.807	0	10	BJAE	
CCCC1CCC([C@](C)(O)[C@H](C)C(C)C)CC1	2002926295	ZUZFDHINEDILOD-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@]1(C)C[C@@H]1NC1CCCCCCCC1	2003096942	BMWQEMVXQGGSQC-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@@H](C)C1(O)CCCCCCCC1	2003111723	OBOBWKFIHGADAA-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1CCCC2(CC2)C1	2003221123	MSKFFGWWZRFJSQ-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H](C)C(C)(C)C)CC1	2004342515	SVPCTMOVBWSSIK-IUDNXUCKSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C[C@]1(CN)CCCCC1(C)C)C(C)(C)C	2005588424	DXQKQUHUGXTKFO-BBRMVZONSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)=C(C)[C@H]1O	2006913756	QTAPMANBCIEYPB-ARFHVFGLSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C1(C)CCC(C)(C)CC1	2007697832	QMTWCPHBSXHSGN-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H](C)C(C)(C)C	2007947191	ZELXHSRGWMRTNI-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@H]1CCCOc1cccc2sccc12	2011568933	ZOFXSQWMSIJONU-NWDGAFQWSA-N	246.375	4.716	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](NCC)CC(C)(C)C1	2012065372	WQLPXEYLBPKJAU-IPKOWEFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1CCCC(C)(C)C1	2013265397	WGAYMGBXGLAOJO-LSDHHAIUSA-N	239.447	4.760	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1CCC=CCCC1	2013542659	MZUOGFKDHGPGQG-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@@H](C)CN(C)[C@H](C)C1(C)CCCCC1	2015331860	FROOLOWOTWLQGY-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](CC(=O)C[C@H]1CC12CCC2)C(C)(C)C	2015515175	FBCLWDWMMMUGJG-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC1(C[C@]2(O)CCCCCC2(C)C)CCC1	2015593742	PNBCLWASAOBWCK-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H](C)C2CCCC2)CCC1	2015640542	TULQLEPFNFQOQT-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C1(CC(C)C)CC1	2015748798	IEDRJGUCRBBRQG-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)C1CCCCC1	2016149205	HAZJKNYENUVJLZ-GJZGRUSLSA-N	237.431	4.680	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CC1(C(C)C)CCC1	2017116844	NWKJTLBAWIJLIK-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@H](CC2(C(C)(C)C)CCC2)N1	2017144770	WUCWEOPPUHENEC-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)CC2CCCC2)CC1	2017663287	QXMMCVXDTTVKSP-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CCC2CCC2)CC1	2017772087	NIYGAJZHDPKWEX-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2C[C@@H]2CC)CC1	2017774614	QVDIALRYPLZDBT-PFSRBDOWSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC(=O)[C@@]2(C)CC[C@H](C)C2(C)C)CC1	2018951110	ZNXFWHILFIVGTI-SWLSCSKDSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)CN(C)C[C@H]1CCC[C@H](C)C1	2019163801	LMGATLWBJKDONM-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCC(CC)(CC)C(=O)CCC[C@@H]1CC1(F)F	2019592527	XMZDVUZXHUBSQS-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1CCCC(C)(C)C1	2024102464	SSYXXDHDDMAFNX-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1C[C@H]1CCC=CCCC1	2024605985	PWCOJQVOHQROJA-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CC(C)Cc1coc2c1ccc1ccccc12	2026532227	XMPCDDINXHJXKA-UHFFFAOYSA-N	224.303	4.785	0	10	BJAE	
c1sc([C@@H]2CCCC3(CC3)C2)nc1CC1CC1	2026535340	IHPABSUBIWKSMN-GFCCVEGCSA-N	247.407	4.533	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C[C@H](C)c1ccccc1	2028233606	YFCKPUNYSVPHSY-USXIJHARSA-N	248.410	4.613	0	10	BJAE	
C(CCN[C@@H]1CCCC[C@H]1C1CC1)CCC1CC1	2028630089	YGSAGDQWGGHHGB-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2C[C@H]3CCCC[C@@H]32)CC1	2028785926	HRUQJHMQHGOZDF-MTERUZRBSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@H]1CCCC2(CC2)C1	2028879635	WNHAURFJGVSWAO-OAHLLOKOSA-N	246.394	4.662	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1ccccc1CC(C)C	2028916511	ZKIJTVKSYDLLLH-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC[C@]12CCCC[C@H]1CCC2	2031808826	NFESXIMAACIIIE-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)CC2C[C@@H](C)C[C@H](C)C2)cc1	2031819757	VNZACILWQPAWPJ-KBPBESRZSA-N	244.378	4.640	0	10	BJAE	
C[C@H]1CC(N2CCCCC23CCCC3)C[C@H](C)C1	2032670111	XAUOEASSKQMJFA-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CCNC[C@]1([C@@H]2CCC2(C)C)CCC=CCCC1	2033570502	KMOOUWMWCDRFSY-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@@H]1C=CCCC1	2035598707	KNKVOLJPMOHAGG-RHSMWYFYSA-N	243.394	4.556	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@H]1CC12CCCC2	2036130617	WQPMLOVYPXBVQS-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(CC2CC3(CC3)C2)C1	2036724332	LMEDCWNYOAKMPP-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1[C@@H]1CCC2(CCCC2)C1	2037706921	ZGJUAGHFHBRKTD-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)[C@H]1CCC[C@@H](C)CC1	2039367423	VQPXJODQABCGAQ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1CC([C@H](C)N[C@@H]2CCCCC23CCCC3)C1	2043547319	PCJJRMCBBRISNJ-BHDPWAOGSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CC1CCC(C)CC1	2045681473	ZJSKNEIKTYRYCG-MAIKSMBNSA-N	248.410	4.764	0	10	BJAE	
CCN[C@H](C[C@H]1CC12CCCCC2)CC1(C)CC1	2047015879	LPDLZFXSXRYJLO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CC23CCCCC3)C(=O)C1	2047063314	VGGDTHCMTPIDCF-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@]1(N)CCCCC12CCCCC2)C1CC1	2047559953	JOZBXWSANDBMGK-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NC1CCC=CCC1)[C@H]1CCCC(C)(C)C1	2049533777	SXDHXRUOPNAKNC-GJZGRUSLSA-N	249.442	4.680	0	10	BJAE	
Cc1cccc2c1NC1(CCCCCCCC1)O2	2049679642	YENOLPBEWVSXNL-UHFFFAOYSA-N	245.366	4.630	0	10	BJAE	
CCC1(C)CCC(N)([C@@H]2[C@H]3CCCCC[C@H]32)CC1	2051602692	RLQMUXFRLMFAPS-ZIJBQXMVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](c1ccoc1)C1(C)CCC(C)(C)CC1	2056557971	AEAXUFZSXNBWNM-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@@H]1CCC[C@@H]2C[C@@H]12	2057357166	IXTKFIDLCYSQHQ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1NCC[C@]12CCCCC21CCCCC1	2058475525	MMDQFGIAXDLEQT-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CCCC1CC(N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2059394588	YCJQOVOMLASANH-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
CCCCCC1CC(Nc2cccc(C)c2F)C1	2059397673	MJVFRCXAQHHXQB-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C1=CC[C@H](C(C)C)CC1	2061140338	MOJAYTSBBXFULC-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@@]1(CNC(C)(C)C)CCCC[C@@H]1C	2061566169	JWZYVSKWURVXSJ-RDJZCZTQSA-N	249.442	4.692	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C1CC(=C2CCC2)C1	2061730019	CXDUSAGZCIWNPB-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
O=C(CCC1CCCC1)CC1C[C@H]2CCC[C@@H]2C1	2063418275	KIXJVUWIMTXCEI-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(N)cc1-c1ccccc1C(C)C	2065421612	FDZADJZIKJLPJA-UHFFFAOYSA-N	239.362	4.622	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)C1(C)CCCC1	2067507412	BKKVHKSGMHLLCO-CQSZACIVSA-N	245.410	4.938	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)C[C@@H]2CC23CCC3)CC1	2069205931	YEJNDOWALYBRMG-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](NCC)c2cocc2C)CCC1	2069341684	HVCIWQHCUGSJQX-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC1(CC2CC2)CC1	2069506740	GZRLOPGNEBCKND-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@]12CCC[C@@H]1C2)C1CCCCCCC1	2070962504	JXGGPMHWVKOSJB-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1([C@@H](N)C[C@@H]2CC23CCCC3)CCC1	2071932417	IOXXNXNCQBSHOD-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@H]1C)CC1CCC=CCC1	2072072386	KQKBLMKSEBGQNX-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1C)C1=CCCCCCC1	2072077313	RWPBNRSXLCCFQM-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(OC(C)C)cc1	2072833617	UGHVLWZMBKDQHI-ZDUSSCGKSA-N	249.398	4.710	0	10	BJAE	
CCCC1(CC2(CNC)CCC3(CC3)CC2)CC1	2074623732	KJMLWUVLVVSNDG-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC1CCC(N2CCC23CCC(C)CC3)CC1	2074865378	MULAYAXEEPEDIN-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CC(C)(C)c1ccccc1O[C@H]1C=CCCCC1	2075407717	KEEFBHFCXIVRLB-AWEZNQCLSA-N	244.378	4.862	0	10	BJAE	
CCCCc1ccc([C@@H](N)CCCC(C)C)cc1	2078001162	KKIZZXBYAQWNFS-KRWDZBQOSA-N	247.426	4.855	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC1(N)CC2(CCCCC2)C1	2079672413	WOEFIJZNIMHPMS-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@H]1COc1ccc(C(C)(C)C)cc1	2079808005	CVQLZEQYMZJZHJ-KBPBESRZSA-N	246.394	4.799	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)C1(CC2CCC2)CC1	2079845018	XCEUEJSVRJXYOK-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(CC(=O)CC2CC(C3CCC3)C2)C1	2085000390	GUWCHAFSLRVHFF-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(N[C@H]2C[C@H]3CCC[C@H]2C3)C1	2086157847	OKIGTIWHQJXFRI-OQBQERNKSA-N	249.442	4.514	0	10	BJAE	
CCCCCC(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213285533	REVKUYOWGJSVJR-QDMKHBRRSA-N	236.399	4.742	0	10	BJAE	
CC(C)C1([C@@H](N)CCCCCCC2CC2)CC1	2213577075	XRSYACCZMDWQAQ-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(CC=Cc2ccccc2)c1Cl	2213823316	QZIRRWDZWFHIOX-UHFFFAOYSA-N	242.749	4.904	0	10	BJAE	
FC1(F)CCC[C@@H](C/C=C/c2ccccc2)C1	2213825499	URRWSYZPAPHLBU-YOIVXCQUSA-N	236.305	4.915	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2CC[C@H]2C)CC1	2215058440	CPOYWAJANGJJSJ-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC[C@@H]1C[C@H]1CC	2215246019	INYNKNGJYUAQCJ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCC[C@H](C(C)(C)C)C1	2216252550	KUYHNMYVBQDXBV-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)C[C@@H](CNC1CCC1)CC(C)C	2217125127	MWQGREGNHLCCJM-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)CC(C)(C)C(C)C	2217135740	JTKXZRZJXZKPFN-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC[C@@](C)(CNC1CCC1)CC1CCCC1	2217155898	GNVNKPVXAFSQTB-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218334819	SWMQRXQHQZRRPE-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CCC[C@H](C2)C1)[C@H]1C=CCCC1	2218377120	BZNUWVGKTPYZNE-FZKCQIBNSA-N	246.394	4.518	0	10	BJAE	
COc1cc(F)cc(CC[C@H]2C=CCCCC2)c1	2218901782	BIVKBECQZZMHDV-ZDUSSCGKSA-N	248.341	4.513	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@@H]1CC12CCCC2	2220026016	VCBZKWQOJOSDRL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCC1(C)CC2(CCC2)C1	2220939396	MYBZRHGFJLRGPI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@@H]2C=CCCCC2)CC1	2221626178	RJKURUUONZTNES-ZACQAIPSSA-N	247.426	4.587	0	10	BJAE	
CCC[C@](N)(c1c(C)cc(C)cc1C)C(C)(C)C	2221991798	AVRSWQGILUZPIK-KRWDZBQOSA-N	247.426	4.612	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](C[C@@H](C)CC(C)C)N2	2224120052	IXGPZBNMSQYYAL-HOCLYGCPSA-N	245.410	4.794	0	10	BJAE	
CCCCC[C@](C)(O)CCCC[C@@H]1C[C@@H]1C	2243040432	SGLXPBOVOIMVCA-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
Cc1cc(Cl)ccc1NC1CCC=CCC1	2244133809	BCDJCFBJSWQMKF-UHFFFAOYSA-N	235.758	4.559	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1sc(C)c(C)c1C	2244786261	ZHPMGSNUIFVANF-QWHCGFSZSA-N	240.412	4.533	0	10	BJAE	
CCC[C@@H](CC)CNc1cc(Cl)ccc1F	2244800794	HVKQTTDGBJESMU-SNVBAGLBSA-N	243.753	4.717	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)CCCC2(C)C)C1	2246730597	FQDQSTIMIUQRFL-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@@H](N)[C@H]1C	2250513743	JOUCEVPFVDRCEI-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)C[C@@H]1C[C@@H]1C	2250528300	MNCMPVHHVFSZSY-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CC[C@](N)(CC1CC(CC(C)(C)C)C1)C(C)C	2251501646	KOQKTMUIGZQZOK-XUJLQICISA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C(=O)CC1CC(CC(C)(C)C)C1	2251583026	RKVHYQNHVABSCE-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC(C)=CCC[C@@]1(O)CC(C)(C)CCC1(C)C	2251673754	JWRGOZJLRSCYDK-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCN(CC(C)C)C[C@H](C)C(C)(C)C	2252640036	OZKZIGZJAUPWTC-HNNXBMFYSA-N	241.463	4.673	0	10	BJAE	
CNc1cccc(-c2ccc3ccsc3c2)c1	2253069892	HLXSVXDBRCNGFZ-UHFFFAOYSA-N	239.343	4.610	0	10	BJAE	
O=C(CC1=CCCCC1)CC1CC2(CCCC2)C1	2254125348	PFZJKCRKYNKRGH-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@H]1CC12CCCCC2	2254593749	IUQQUWZPNAVXFP-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC[C@@H]1CCCC12CC2	2255232566	GDPPKAKBOMIAFV-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@H]1CCCC12CC2)CCC1(C)CC1	2255292070	VHHQJVRIXKFPJD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](c1ccccc1C)[C@H](CC)CCC	2259443347	LHBFRLXHPFFGQD-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)C[C@]12CCCC[C@@H]1CC2	2260574742	OZWXLHPRUQRKIR-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CCC1(C(=O)C[C@@]23CCCC[C@H]2CC3)CCCC1	2260578503	LXIZXYYYHNOEBJ-YOEHRIQHSA-N	248.410	4.886	0	10	BJAE	
C[C@H](NC[C@@]12CCC[C@@H]1CC2)C1CCCCCC1	2260595552	KFYCNFSGHUDWIM-UAGQMJEPSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(CN)(C[C@]23CCC[C@@H]2CC3)CC1	2260650460	DMJKNGIOMRMZOF-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
C[C@H](C[C@]12CCCC[C@@H]1CC2)c1cccc(N)c1	2260651167	JKFTXSPEXYKQHL-FRFSOERESA-N	243.394	4.733	0	10	BJAE	
O[C@H](CC1CCC1)c1cccc(C2CCCC2)c1	2260727656	RIUZYNHEFKARTM-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@]2(N)CCCC23CC3)C1	2261135218	QQGQGAUYQDRSJK-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)C[C@H](CC)C(C)(C)C	2298134861	IOEWPNYSMABIGU-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298450213	BREYHCVAJJBAGH-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@@H]1C[C@H]1CC	2300672881	BDSHDAUHLOMQTI-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CSCC[C@H](C)Nc1ccccc1C1CCC1	2301884865	GJRAVCCHNGUAML-LBPRGKRZSA-N	249.423	4.508	0	10	BJAE	
CCN([C@H](C)[C@H](C)C(C)C)[C@@H]1CCCC1(C)C	2301978925	RVOCCYRWPOKNIK-RBSFLKMASA-N	239.447	4.568	0	10	BJAE	
CC(C)C(C)(C)CNCCCC1=CCCCC1	2302351162	FJXPJSFEOOODID-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC1(C[C@H](N)CCCCC2CC2)CCCCC1	2302568745	AVGIAQUDTFCWNG-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CN[C@H](CCC[C@H]1C[C@H]1C)CCC(C)=C(C)C	2302608845	BNUUYWLLUIQHOK-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC(=O)CC[C@@H]1CCC(C)(C)C1	2304431013	GPASMMPPHQTKAP-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)[C@@H]1CC[C@H]1C(C)(C)C	2307904649	UEVZJQOCQCZUOZ-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC[C@H]1C)[C@@]1(C)CC=CCC1	2308750151	YZRJXPWVCXWWAF-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CCC1	2309181938	IYZLPGUITWXWTI-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(OC(CC2CC2)CC2CC2)c1	2313662962	VVUNXUNXWQYQLD-UHFFFAOYSA-N	244.378	4.597	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C(CC1CC1)CC1CC1	2313692882	RWBMJWMYPCBXES-WBMJQRKESA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@]1(C)CC1(C)C	2315888048	PHZYBKBMBGRJJC-QGZVFWFLSA-N	245.410	4.967	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H](C)c1ccc(C)cc1	2316247263	BVABPLNRLZYDDG-YOEHRIQHSA-N	248.410	4.676	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CCCC12CCC2	2316502659	LKQQFDIGGSNAKO-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1[C@H]2CCCC[C@H]21	2316505318	ZDJSMAMHJTUHAU-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@]2(CCN2CC2CCCCCC2)C1	2316884849	KCFUVDUJQYUKQK-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CCCC1(C)CC1	2317531154	ADHZNYAFPUUETR-UHFFFAOYSA-N	245.341	4.669	0	10	BJAE	
CNC[C@@H]1CCCC[C@H]1CCCC1=CCCCC1	2318591858	CMTKJYAFRCLFKJ-IRXDYDNUSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)[C@@]23CCCC[C@H]2CC3)C1	2319327143	TZLHAKQHVIHENW-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@](N)(CC2CCC3(CC2)CC3)CC1	2320266285	RVHMZBLIARXLPZ-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](COc2ccc(F)cc2C)CC1	2320348234	OOUQHYQXRFIUOO-AWEZNQCLSA-N	248.341	4.649	0	10	BJAE	
CC(C)c1cccc(C[C@@H]2CCCCC(=O)C2)c1	2320662696	GFJNAXMCZKOSFS-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
Fc1ccc2c(ccn2[C@@H](CC2CC2)C2CC2)c1	2320697815	RLVSFGDDHSYJLU-INIZCTEOSA-N	243.325	4.532	0	10	BJAE	
CC1(C)CC[C@@H](CCN[C@@H]2CC23CCCCC3)C1	2321605106	IZGNVTDMLXGJOL-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC=CC[C@@]1(CN)CC[C@H]1CCC(C)(C)C1	2321619013	ILEHJQZBYRLMGP-INMHGKMJSA-N	249.442	4.524	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1ccc(CCC)cc1	20482528	KOWNMYRDCKRDTA-WBVHZDCISA-N	247.426	4.855	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cccc(Cl)c1	20564214	GDFWWWWZHXRRHS-YPMHNXCESA-N	239.790	4.967	0	10	BJAE	
CCCCOc1ccc(NCC(CC)CC)cc1	83381685	IDMUKRAZWLMOQC-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)[C@@H]1CCC[C@H](C)C1	93676243	ZRZBKSAEFVWRMJ-FBLKXBDISA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc(C2CC2)cc1	94523356	BKMHCHLBWHEARA-MRXNPFEDSA-N	232.367	4.568	0	10	BJAE	
CCCCc1ccc([C@@H](NC)C(C)(C)CC)cc1	104016091	JSOJUAXAQFMUEQ-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
C/C=C\CCc1ccc(SCCC)cc1	107603449	OGSAKEGSBJEVLE-HYXAFXHYSA-N	220.381	4.697	0	10	BJAE	
CCCNc1ccccc1Oc1cccc(C)c1	110310282	YXJPLFUCVBEQGA-UHFFFAOYSA-N	241.334	4.609	0	10	BJAE	
CN[C@@H](c1cccc(C2CCC2)c1)[C@H](C)C(C)C	133572557	MXNBNFLWYAKUJZ-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CC(C)[C@@H](OCc1ccccc1)c1ccccc1	146944898	IJSZTHILIXXEJK-QGZVFWFLSA-N	240.346	4.601	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1NCCC1=CCCCC1	155835220	KIMLSSOMCBSBTJ-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@@H](C)CC	161424082	SIRKCFBKGXVXIC-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CC1CCCC1)c1cccc(C)c1C	162704224	OEFMTHOVDIUTEA-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC(C)(C)c1ccccc1[C@H](N)CC1CCCC1	162784014	YEGAEWMFKOCHSF-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CC(C)CCCC1(O)CCC(C(C)(C)C)CC1	165573447	XWOSFIABVCLWQW-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCc1ccc([C@@H](C[C@@H](C)CC)NC)cc1CC	167370175	JDIONISWGRIDCC-SUMWQHHRSA-N	247.426	4.508	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(CC)CCCCCN2)C1	218176941	KQSXGPQXZSZJBX-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1C[C@H](CCC)CC[C@H]1CNC(C)C	219505562	KIMNGODFWPSMKI-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCC1(CN[C@H]2CCC[C@@H](C)CC2)CCCC1	232883356	MCAKRNPCBKZIQO-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CSc1cccc(N[C@@H]2CC(C)(C)C[C@@H]2C)c1	235098193	METWGQCPQOAHFR-SMDDNHRTSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1ccc([C@H](C)CC)cc1	253200406	BXBVDQUEFPZGEN-JJRVBVJISA-N	247.426	4.897	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@H]1CCC[C@H]1C	300287134	XEOUAJYAGTZUKI-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)c1c(C)cccc1C	300465740	YYYNBXWHXCGTSP-VYDXJSESSA-N	245.410	4.520	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)CCC1CCCC1	300902746	LCRXLHLJPKDXMB-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@@H](C)C(C)(C)C	304248290	GJOXXXIRQSJHLY-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CNc1ccc(F)c(Cl)c1)C(C)(C)C	304249790	GWRWMCKJWPMBNG-VIFPVBQESA-N	243.753	4.573	0	10	BJAE	
CCCC[C@H](CCC)NC(C(C)C)C(C)C	304587711	TYRWRJORDDNUMX-AWEZNQCLSA-N	227.436	4.616	0	10	BJAE	
N[C@@H](CCC1CCCC1)C1CCCCCCC1	305898348	UYDIOXNADMAXPU-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(C)c(O[C@@H]2/C=C/CCCCC2)c1	305991891	MFHJIMNIWLOIAC-PMGBHYCQSA-N	230.351	4.571	0	10	BJAE	
CCCC[C@]1(CC)[C@@H](CNC(C)(C)C)C1(C)C	306056827	XUEBWPFAVHONEF-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H](CC)CC(C)C	308088979	ZZJZVUMXJRUJBK-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](NCC(C)(C)C2=CCCC2)CC1	308757998	QUCROLRZCROQIG-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC(C)(CNC1CCCCCCC1)C1=CCCC1	308758978	TUNGGMQGWVTJAB-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)C1CCCCCC1	310405824	LPDXJXVNYUTQGB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C(C)(C)C(C)(C)C)C1	310577931	QEUMZMLWTCYHMO-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc([C@H](N)C[C@@H]2CCC[C@H](C)C2)c1C	311031785	SVQVBLKQANICBN-XGWLTEMNSA-N	245.410	4.520	0	10	BJAE	
Cc1cc([C@@H](C)NCCCC(C)(C)C)cs1	313292756	IJNRXKJYYUBTRV-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CC[C@H](C)[C@@H](C)Oc1cc(Cl)ccc1Cl	319606339	MSZYNSCZXUEHSR-DTWKUNHWSA-N	247.165	4.807	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)CCCCCC(C)C	383181000	MXOBNLQSSGKAJQ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
c1cc(N[C@@H]2C[C@H]3CC[C@H]2C3)c2sccc2c1	386218949	JJADXWQMVRBXSN-VHRBIJSZSA-N	243.375	4.502	0	10	BJAE	
CCOc1c(CC)ccc2scc(Cl)c12	396193058	SAWWZFGGYRXQDZ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc2cc(S)sc2cc1C(F)F	396246886	OTBXNOBPLGPAIX-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
Cc1c(C(F)(F)F)sc2cc(S)ccc12	396303592	MTIHLQDNQGNQHH-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@@H]1CC12CCCCC2	401543633	OEFSAQRVXXYIOQ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CNCC1(C[C@H]2CC=CCC2)CCCCCCC1	402160628	RRBWQUWWJLOVIA-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@H]1CC[C@@H](C)C1	402185844	ZPPVKQUJOCATNG-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CC[C@H]2C[C@H]2C1	403610882	IRPHMHYGMZRNIE-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
c1cc2c(cc1NCC1CCCCC1)CCCC2	404646927	OMJOSWSMIJVHFN-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC(C)(CCNc1ccc(C2CC2)cc1)C1CC1	690107642	BGDPOHHJTFTKKM-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
C/C(=C/Cl)CNc1cc(C)c(Cl)c(C)c1	690249038	JDNWLUYZHGTNOC-VURMDHGXSA-N	244.165	4.511	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCCC[C@@H]1CC	691087143	HSRIYXNFQOYQMR-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CCCCC[C@@H]1C(C)C	691103981	NBCMIPXNEIRQQO-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1C[C@@H](C)CC(C)(C)C1	695099908	QFRIAOYEVKRWSA-RDBSUJKOSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1NC1CCC2(CC1)CC2	695690734	OSGIUGXFMFRKCF-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)CCN[C@@H](C)c1cc(C)c(C)cc1C	696176502	SCEUFGHJMUVQLL-LRDDRELGSA-N	247.426	4.699	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC/C=C/c1ccccc1	696595076	TZPHJFBKDNMFAV-RCLKMUNOSA-N	246.394	4.667	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccc(CC(C)C)cc1	701076797	DMZSLDTWFCVFFD-MRXNPFEDSA-N	248.410	4.745	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC=CCC1)C1CC(C)(C)C1	701452890	WXXMSLPYMWFJAH-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@@H]2CCC[C@@H](C)C2)c1	701578427	QDHHDDGZGZRLLD-UNEWFSDZSA-N	245.410	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@]1(C)CC1(C)C	702211903	AUJPREBWVITEKO-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCCCC[C@H]2C)CC1	704926271	GCKSDDAOFVDRIA-KNIAUWFNSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H](C2CCC2)C2CC2)c1	705304413	QCMJHVPXWWXZKE-OAHLLOKOSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CC[C@H]3CCC[C@@H]32)c1	707855616	DHIZVPSRIJBPRJ-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)CCCCC1(C)C	709149499	VYQGIHHUUGXBME-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H](C)CC(C)(C)C)CC(C)(C)C	709199785	NJUJOHLPBNGEON-MGPQQGTHSA-N	241.463	4.848	0	10	BJAE	
CCc1ccc(CC)c(NC2CCC(C)CC2)c1	709711574	GVYIHCCIFGDOIP-UHFFFAOYSA-N	245.410	4.802	0	10	BJAE	
CCN[C@H](C1CCCCC1)C12CCC(CC1)CC2	710320720	HOCKGJUDBADKPX-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC(=O)C[C@H](C)C1CCC1)C(C)(C)C	711114013	MAZVLEADNCKZOQ-JSGCOSHPSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C(=O)C[C@H](C)C(C)(C)C)c1ccccc1	711142758	COMWUCQSZCQZSJ-ZFWWWQNUSA-N	246.394	4.822	0	10	BJAE	
CC[C@@](C)(CNCC(C)C)C[C@H](C)C(C)(C)C	711185271	VLPVPRPEPGOIJO-GOEBONIOSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CCC(C)=C(C)C)C1	719176519	ZKTLWAIMVVXUHM-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@](O)(CC)CC1CCCCC1	720978159	QYJMGJFEIVUBDS-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cccc(C2CCC2)c1	721693859	ZOMFPAZMNXKJOU-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
Cc1ccc2scc(Cc3ccccc3)c2c1	821290821	IASIBAPVYMPRJU-UHFFFAOYSA-N	238.355	4.801	0	10	BJAE	
C=C/C=C\CCSc1cc(Cl)ccc1F	1473029743	UNRYBNPQJOXZMK-ARJAWSKDSA-N	242.746	4.704	0	10	BJAE	
CCC[C@H](N[C@@H]1CC(C)(C)C[C@@H]1C)C(C)(C)C	1658135253	DNUSBFSESDKZIP-MJBXVCDLSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)C(=O)[C@@H](C)CC1CCC1	1899390270	SXNKPZFDNWHJJY-GXTWGEPZSA-N	224.388	4.598	0	10	BJAE	
CC=CCC(=O)C1CCC(CCCC)CC1	1900890173	ODDBAMMNCGGGIV-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)c1ccccc1Cl	1901208976	LBOFQWSWPRZYNF-GFCCVEGCSA-N	239.790	4.601	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cscc1CC	1902381249	LBZNQIWQIOFNRD-CHWSQXEVSA-N	237.412	4.691	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CCCCC2)C1)[C@@H]1CC1(C)C	1915854249	GTNHTLJYIPFVPJ-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@@H]1CC[C@H](C)C[C@H]1NCCC	1916012859	BZEGZNPIQWGGIW-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CCC[C@@H](C)C2)C=CCC1	1916378189	QPMBXERNYWPEIZ-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H]1CCC2(CCCC2)C1	1916438177	NXFDCCHEBQOVCO-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCc1ccc([C@@](O)(CC)[C@H](C)CC(C)C)cc1	1919609991	BKLCIAQQHMLIJX-RHSMWYFYSA-N	248.410	4.529	0	10	BJAE	
CCCCCC[C@](C)(O)c1cscc1Cl	1919971402	ZOMFCTMCUJBFCF-LBPRGKRZSA-N	246.803	4.579	0	10	BJAE	
CCc1ccc([C@@](N)(CC)CC(CC)CC)cc1	1920452660	XNNUYXACEIWAAV-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CC(C)[C@@](N)(C[C@@H](C)C(C)(C)C)c1ccccc1	1920486170	HCQLPSQIVFLGII-PBHICJAKSA-N	247.426	4.569	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C1CC(CC)C1	1921262964	YJKXKQXICHSVJV-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@@H](O)[C@H](c1ccccc1)C(C)C	1921318364	CCJDWYVXYABRMS-SJORKVTESA-N	248.410	4.613	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](O)CC1CCCCCC1	1921555966	VLHJZDGEUANQDS-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CC[C@H]1CC1(C)C	1921565185	WAFATEBNGHZLMM-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H]1C=CCCCC1	1925919414	DNHDVQZYGKVHRV-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
C[C@H](CC[C@@H]1C=CCCCC1)CNC(C)(C)C	1925944400	DLKUEOFFOBECAN-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN[C@@H]1C[C@@H](C)c2ccccc21	1926175777	LTTWZBWJARSMKK-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC1CC(C)C1)NC	1927027193	OVCSCYGFRPETQV-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](N)(CC)CCC[C@H]1CC1(C)C	1935925977	XCDLKLBJLKCPHW-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CCCCCC1CC1	1936403270	KRSQESHGMLQKRM-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C[C@H](N)CCCC1(C)CC1)C(C)(C)C	1940874792	HDKSBNJVMAQVGL-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CNCC1(CCCC2(C)CC2)CCCCCC1	1940877126	OYBGMPDZUZDXMZ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC[C@](O)(CC)C1CCC(C(C)(C)C)CC1	1941143739	FJMBNQIOTGWZMM-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)CCCCCC1CC1	1941586273	JXEUPJUQMRDQBQ-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)[C@@H](C)CCC(C)C	1942658053	OSWAZKXODONZHT-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCSc1cccc(NC[C@@H]2CCC[C@H]2C)c1	1944836227	IXWPGMFQKZJOHN-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@@H]1CCC[C@@H]1C	1944858756	GDKSLLFJWWEORQ-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCC(F)(F)CC1	1948168173	CQOKELMGLMKXPD-CYBMUJFWSA-N	247.373	4.513	0	10	BJAE	
CCC1(C[C@](C)(N)CC2CCCCC2)CCC1	1948979569	QRTCHWVVJCQOQP-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCSc1cccc(N[C@@H]2CCC23CCC3)c1	1949319168	NUCLJDHAPZAIID-CQSZACIVSA-N	247.407	4.543	0	10	BJAE	
CC1(C[C@@H]2CCC[C@@H](CCN)C2)CCCCC1	1950513886	NAMSOQKJBMUXPP-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
C[C@H](CCC[C@H]1C=CCCCC1)C(F)F	1957934131	DUCSXNMIPRYOLI-NEPJUHHUSA-N	216.315	4.804	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1cccc(Cl)c1Cl	1959205653	DRORDJXFJKPHRI-WPRPVWTQSA-N	244.165	4.594	0	10	BJAE	
CCC(CC)N(CC)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1964142957	XBHQRBREJBKBAB-FICVDOATSA-N	239.447	4.569	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1cccc(C2(C)CC2)c1	1967832817	SZMOUPVNOGMWSU-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
C[C@H](CCC1CC1)Nc1ccc(C(C)(C)C)cc1	1968275863	QWGLAHHKANFFAK-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
C[C@H]1CC[C@@H](CNc2ccc(C(C)(C)C)cc2)C1	1968276177	XEKFGEKGLKRDTI-UONOGXRCSA-N	245.410	4.832	0	10	BJAE	
CC1(C)CC[C@@H](CN2CCCCC23CCCC3)C1	1969787711	AJVFPFLRYPSLRR-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCSc1ccccc1NCC(C)(C)C	1975963728	CTCGPOVFTNNKJI-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CCCSc1ccccc1N[C@H](C)C(C)C	1975964819	JSENXACYPRIVEJ-GFCCVEGCSA-N	237.412	4.645	0	10	BJAE	
CCCCCC[C@@H]1CCCCCC[C@H]1NC	1980340476	XIAMHUGKRISKPC-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@H](C)CC(C)C	1990761170	QQZGYBVFZIVVLY-HUUCEWRRSA-N	227.436	4.569	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC1(C)CCC1	1995253279	FREHSFMWPNXNEX-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CN(C1CCCCCC1)[C@H]1CCCC(C)(C)C1	1995835421	MAQXZFRSEAMJSS-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2CCCCC2)CC1	1997107385	BKIPQZMHIHBIEL-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)c2ccccc2Cl)C1	2000190236	KRVPJNPWWZIISN-JQWIXIFHSA-N	248.753	4.515	0	10	BJAE	
CCCN[C@H](C(C)(C)C)C1(C)CCCCCC1	2000389329	BWGXZLMHZTUVAC-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCCCN(CCCCCC1CC1)C(C)C	2000901373	YIQZLIPKSRCCTI-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCCCCC(=O)C[C@@]1(C)CCCCC1(F)F	2002590355	IISKMYBAMNGZCH-CYBMUJFWSA-N	246.341	4.742	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@@H]1CCCC(C)(C)C1	2002978390	HTCLTKFYWDSWPK-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)C[C@](C)(O)[C@@H]1CCCC(C)(C)C1	2003003238	BVCRMDHYSXHQOX-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
C[C@H](N[C@@H](C)C(C)(C)C)[C@@H]1CCCC(C)(C)C1	2003005023	JBDXQDZXACZIJS-MELADBBJSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(NCC2(C)CC(C)(C)C2)c(C)c1	2003384981	ROQZKCAZIYZTPQ-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CCCC1CCC([C@H](CC=C(C)C)NC)CC1	2004232179	DMXRIVSKEXTRPQ-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCC[C@]1(CNC(C)C)CCCCC12CCC2	2005565779	JBQIDSVIGRQJBO-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC)CCCCC1(C)C	2005583237	MQGIDUNQVXXUEB-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1(C2CC2)CCCC1	2008476986	HGQCTCRUNOCFNR-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCC)C(C)(C)C(C)(C)C	2009618658	DSEIMDXFVOPKDG-CQSZACIVSA-N	239.447	4.783	0	10	BJAE	
CCC(C)(CC)[C@@H](CC(C(C)C)C(C)C)NC	2015277020	CXRJIMNLAXKTPG-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CC(=O)[C@H](C)C2CCCC2)CCC1	2015596967	XZKQGCQEISKSEX-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@@H](C)CC(C)(C)C)CCC1	2017142984	ZLISXIQVXQPPRN-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C(C)C)[C@@H](C)O)CC1	2017712399	OAVCJJKDAIFCEH-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCC1CC(C(=O)C[C@H]2CC[C@H](CC)CC2)C1	2017768754	CXZMZTSIHJNJBX-NZFPVTAUSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CC[C@@H](C)C2=O)CC1	2017772101	NQCCDWZLRGNPGT-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@]1(C)CC=CCC1	2018132119	RKCHJDFBICHNDP-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@]12CCCC[C@H]1C2	2018588056	QUMBILTUVOEVOU-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CCC(CC)CCN(C)C[C@H]1CCC[C@H](C)C1	2019163447	JKFVYXPMRAMPAE-HOCLYGCPSA-N	239.447	4.571	0	10	BJAE	
CC1CCC(CN(C)[C@@H](C)CC(C)(C)C)CC1	2019182957	WXKFNKSDVKNJNP-SLTAFYQDSA-N	239.447	4.569	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1C[C@@H]1C1CCC1	2022386573	ZQQMXMHOJWXTKH-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1ccccc1SCC	2022492109	HEZOKCLNFPSGAW-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CC(F)(F)CCCC[C@](C)(O)C1CCCCC1	2023310693	HJBABCDFACZPKZ-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H]1CCCC(C)(C)C1	2024128081	JXHRXFPQSOKFBR-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC1CC2(CC2)C1	2026166897	NDPCFLDPKYKPCV-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCCC1(CNC)CCC(CCC)CC1	2027030339	IMCWHFZXIMEWCP-UHFFFAOYSA-N	249.442	4.705	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2C[C@H]3CCC[C@@H]32)cc1	2027320035	QTSNWQXGTMXGTB-UHOFOFEASA-N	243.394	4.585	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NCC)c1cccc(C)c1	2028253332	VWXBMEIAMMXOJT-SJORKVTESA-N	247.426	4.718	0	10	BJAE	
Fc1cccc2c1ccn2CC1CCC=CCC1	2028869657	JVBHGZPODCFBOZ-UHFFFAOYSA-N	243.325	4.527	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)[C@@H]1CCCC1(C)C	2028872437	FXSOPPCBCLVNRY-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](O)c1ccc(C2CCCC2)cc1	2031749807	MBSBXRXHTPCBIA-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CCNC[C@]1([C@H]2CCC2(C)C)CCC=CCCC1	2033570501	KMOOUWMWCDRFSY-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC(NC2CC(C3CCCC3)C2)CC1	2033768804	VLLBWXJUCBEPHN-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(F)c(NCC(C)(C)C2CCCC2)c1	2034015983	FPGQAXFVPWEXLW-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC1CC(CC)C1	2034904751	RNFBVZMJHMBEMM-UHFFFAOYSA-N	245.410	4.720	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CC12CCCC2	2036102454	ZRFPCVKWUXWTCB-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@](N)(CCCC1CCC1)C2	2036661459	PVOJVRKNAHCBNF-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)CC1CC2(CC2)C1	2036755401	LVXTVCKSYRQIGP-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C1CCC(N)(C[C@H]2CC23CC3)CC1	2037120640	TVPWLVYMPYKUQU-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1	2037134765	ZYBLRVSKBQZYSJ-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(C1CCC1)[C@H]1CCC2(CCCC2)C1	2037595023	QOCFLSMTWFGLQK-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
CCCNC[C@]1([C@H]2CCC(C)(C)C2)C=CCCC1	2037694512	MXXZPZBZSOQKKM-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@@]1(CNC2CC2)CC12CCCCC2	2039006250	NZUKHBDEBANZSC-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@H](CC)NC1CC2(C1)CC1(CCC1)C2	2039460404	PROMNFWUMRBBGL-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
C[C@H](NC1CC2(CCC2)C1)C1CCC(C)(C)CC1	2040639343	UAUUEDUMNLAEHZ-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2[C@H]3CCC[C@H]23)CC1	2041385942	GSVUQIPKAKFFOQ-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CC(C)CNC[C@@]1(CCC2CCC2)CC=CCC1	2042087824	WUKISXDQXURBGJ-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC([C@@](C)(N)C2CC3(CCC3)C2)CC1	2043542085	XXEPXWWAONWAAW-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C[C@@H]1CC[C@H]2C[C@@H]12	2045314811	NRINHVLMZDARRT-AESZEHBQSA-N	246.394	4.518	0	10	BJAE	
CCCC1([C@H](NC)c2cccc(C)c2C)CCC1	2045731884	CIABPYYOXNPPOI-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)C[C@H]1CC12CCCC2	2047008201	MRMQVIMCWVDNFF-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC[C@]1(CC2[C@H]3CCCCC[C@H]23)CCCCCN1	2048453721	IQYASKCYCBHRRN-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@H](C[C@@H]2CCCC3(CC3)C2)NC)CC1	2049857759	NSMVNIFTLUGWOC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1CC(C)=C[C@H](C)C1	2051409085	OAKSETMMWIWOMF-BHYGNILZSA-N	249.442	4.703	0	10	BJAE	
CC[C@H](NC1CCC(C)(CC)CC1)c1ccco1	2051659083	VIGMQUSYONIHRT-BBBYJDLNSA-N	249.398	4.679	0	10	BJAE	
CC1(CN2CCCC[C@@H]2C2CCCC2)CCCC1	2051670739	GFMXCTLWDSJORM-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCCCCCC2)cc1	2052501667	ZGFVHWKCRVKIDJ-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
C[C@@H](NCC1(C)CCCCCCC1)c1ccco1	2052504411	HJRYJYYPBSZSSL-CQSZACIVSA-N	249.398	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H]2C=CCC[C@H]2C)CC1	2055562605	DSFUYDNKPDKHTI-WCXIOVBPSA-N	249.442	4.536	0	10	BJAE	
CCCN[C@@H](CC1CC1)C1(C)CCC2(CC2)CC1	2056556078	DLQYFHSFDDRFNQ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)[C@@H]1C=CCCC1	2056643218	QQZXCDJCWUVRHM-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C1CCCCC1	2056876240	OQMXTZKWWAMYIA-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C2CC(C3CCC3)C2)CC1	2057487697	AJBYZXBQPOZKOL-LHUBUQBQSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2059203462	KRRGCYDWQQOCPT-PPTSTLTQSA-N	248.410	4.908	0	10	BJAE	
CCCC1CC(NC2CC3(CCC(C)CC3)C2)C1	2059398494	VIRHCUXLENNJBT-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC=C([C@]2(N)CCC3(CCCCC3)C2)CC1	2060911420	XWTOMHWYQMTTRN-YOEHRIQHSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](CCC1CC1)C1=CC[C@@H](CC)CC1	2061084367	JINVPUAKDIDETM-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCCC23CC3)cc1C	2062019785	XEEABVMRHQHKPK-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CCCCCC23CC3)CCC1	2062020564	NYFLVYLXKDRTAR-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
C[C@H]1C[C@H]1CCCNc1ccccc1C1(C)CC1	2062640189	BBALIOVMOZEGMY-UONOGXRCSA-N	243.394	4.586	0	10	BJAE	
CC1(C)CC[C@@H](N)[C@H](CC23CCC(CC2)CC3)C1	2065335454	PSNMUOALGYOQPY-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@H]1NC(C1CCCC1)C1CCCC1	2065933997	SXWZFINJVGEQMC-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)c1ccc2ccccc2c1	2068841332	FZEJUQGPDLHQBP-DYVFJYSZSA-N	242.362	4.555	0	10	BJAE	
CC(C)Cc1ccc([C@@H](O)C[C@H](C)C(C)C)cc1	2068843605	MLCJFMAXWBBEJJ-YOEHRIQHSA-N	248.410	4.601	0	10	BJAE	
CC(C)[C@H](C)CC(=O)C1CC2(C1)CC1(CCC1)C2	2068975544	CRLSWGDXAQGFHS-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CC(=O)C2CC3(CCCC3)C2)CCC1	2069279729	AMBRXJZCOYIASX-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCCC1(CCC(=O)c2ccc(F)cc2)CCC1	2069280049	FSHIBFWYNMUJCJ-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CCCC1(C[C@@H]2CNc3ccccc3C2)CCC1	2069342591	QGEAYJPGXFRMHI-CQSZACIVSA-N	243.394	4.631	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C2(CC3CCC3)CC2)C1	2069580350	IWSGHYFPTILNHB-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@]23CCC[C@H]2C3)CC1	2070926393	MOPMROZCFQJEBX-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](C[C@]23CCC[C@H]2C3)C1	2070927353	SJDOHOHBERTMHG-LOUJCGABSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@@H]2C2CCC2)c1	2071786026	LHIUQDAXFQDAKE-IAGOWNOFSA-N	243.394	4.801	0	10	BJAE	
CC(C)(C)C1(CNCC[C@@H]2CC=CCC2)CCC1	2071948982	KMJLZQKVOGMTPK-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)[C@H]2CC23CCCCC3)CC1	2072799481	TXPGNJNWRINYDO-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H]2CC23CCC3)CC1	2072872424	BJMLYEIWPPEODJ-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@]12CCCC[C@H]1C2	2074092883	AJDWHWQHKIURAD-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CCCC1(C[C@@H](NC)c2c(C)cccc2C)CC1	2074635086	YRLCSCGJFUKWKZ-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
C1=C[C@@H](Oc2cccc3ccccc23)CCCC1	2075410502	ZPNPDRCTDGNABM-OAHLLOKOSA-N	238.330	4.717	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@H]2C[C@](C)(F)C2)c2ccccc2N1	2077717544	RFSZHQITFYMZTM-NFFDBFGFSA-N	247.357	4.503	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	2079336199	HMMHNCGITSLYQI-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2C[C@H]2C2CCC2)CC1	2079447289	OMZWIZTZHIQPGQ-JUVOFCAFSA-N	249.442	4.501	0	10	BJAE	
CCC1(C(=O)C[C@H]2C[C@H]2C2CCCC2)CCCC1	2079861033	FFQSLJQJSVIQIN-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@@]1(N)CCCC12CCCC2	2079865072	NYDNYWYZIUTUPZ-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C1(C)CCC(C)CC1	2080234711	TUYARFIXDVLQIK-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H]1CCC[C@H](CC)C1	2080258568	BMRHVQAOUKDKJF-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2CCNC3(CCC3)C2)C1	2082975407	IQBFBBDLWZRWSC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2c1ccc(C2CC2)cc1	2089009348	GQQROPDCXHNRRT-MRXNPFEDSA-N	249.357	4.512	0	10	BJAE	
C1=CCC(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2212390176	YYHOCQGCVDBFGH-HRCADAONSA-N	218.384	4.949	0	10	BJAE	
CC[C@H](C)NCC(C)(C)CCCC(C)(C)C	2212578629	BYHKDXJWTYXMHZ-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](CCC)CN[C@H](C)CC	2212590409	WSOJPOSNQZZBHV-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)C1CCC1	2213573336	GPONIBXGUNEKOW-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC)CCC1(C)CC(C)(C)C1	2215396482	SYWYXWSFMRXKIA-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CCC[C@@H](C(C)(C)C)C1	2216254919	AQVNNSGUUZGUPV-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC1(C)[C@@H](N)C[C@@H]1CCCCCCCC1CC1	2216891854	IHFVFWKWZWOYFW-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C12CCC(CC1)C2	2218721653	UKZUUGRPYHFQFS-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1C[C@H]2CCC[C@H]21	2218725147	LPKHRHXICOYFSS-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC1(N)CC2(CCC(C)CC2)C1	2220875788	FVFWVNTXOCQELV-FVROTGDOSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1=CCCCC1)CC1(C)CC(C)(C)C1	2221015067	FYDLYAKEMPGJMV-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](CNC2CCCCCCCC2)CC1	2221630644	KBNZZLNYMZJWNB-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CC2CCC(C)CC2)CC1	2221630917	LAAGKXNAIALWGO-KMZOKZLKSA-N	249.442	4.667	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2CCC(C)CC2)CC1	2221643001	LEYBIOHZNXPJHO-PGEKIEPBSA-N	248.410	4.908	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CC[C@@H](C(C)C)C2)CC1	2221645854	NJFLKCOVRMAONZ-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](CNC(C)C)(C2CCCCC2)CC1	2221647908	GXQHQSVYUSYWAD-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCC[C@H](C(C)(C)C)C2)CCC1	2222267472	QCXWYZOQAINCLB-XHSDSOJGSA-N	249.442	4.680	0	10	BJAE	
Cc1coc(C(=O)CCCCCCCC2CC2)c1	2223163811	VYGMUGHGZPPDLF-UHFFFAOYSA-N	248.366	4.911	0	10	BJAE	
CC[C@H](C)NC[C@]1(C[C@@H]2CC[C@H](C)C2)C=CCC1	2223601679	WWQFAFYFGJLPED-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)C[C@H](C)C(C)(C)C)cc1	2223968903	NOSSBPMHWULXNE-KBPBESRZSA-N	246.394	4.740	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc(C)cc1Cl	2244774233	FVGLAHVQDXPSCU-LLVKDONJSA-N	238.758	4.657	0	10	BJAE	
CCC(C)(C)CCC(=O)CCC1CC(C)C1	2245507034	YNWOTXBKRZPNNL-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C(F)F)n1ccc2c(Cl)cccc21	2246143844	FZWMZGNXGJOASP-SNVBAGLBSA-N	243.684	4.511	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)CC1(C)CC(C)C1	2246591952	VHBSFJDRZUQCPV-JWMHWRSXSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC[C@@H]1CCC[C@@H](C)C1	2246678350	IPKQWNAHZMBFSE-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)CC1CCCC1	2247112086	JLVKVYFEPPWFEF-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@H]1CCCC12CC2	2247623905	VXMRKNNVRYITNS-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](C)(O)CC[C@H]1CCCC12CC2	2247653039	ZJVJRVHMHIVWPX-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1csc(C2CC2)c1	2248074588	QMHLFGKAOGWXRV-UHFFFAOYSA-N	248.391	4.945	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cccc2sccc12	2250368726	DJOHLEFKJPUIJO-NHYWBVRUSA-N	248.391	4.761	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1CCCC[C@H]1C(C)C	2250380934	JROVAGQUKHWJPL-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CNC(C)(C)C1	2250479690	XRYBXAHZDBZQEY-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
Cc1cscc1C(=O)C[C@@]12CCCC[C@H]1CC2	2251157115	FZSAMAUWZZKKSB-WFASDCNBSA-N	248.391	4.600	0	10	BJAE	
CC1CC(C)(CC(=O)C23CCC(CC2)C3(C)C)C1	2253762025	BNGUGSYYOZHAEM-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCC[C@@H]1CC[C@H]1CCCCC12CC2	2253810741	NSARMAMREBPUMX-HUUCEWRRSA-N	248.410	4.886	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2CCC23CCC3)CC1	2254948084	XLJLYGILSWTFFZ-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
O=C(CC1=CCCCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2255066054	XZKLFAJESMNSLH-ZSHCYNCHSA-N	246.394	4.662	0	10	BJAE	
CC(=CC[C@H]1CCCC12CC2)c1cccc(N)c1	2255258518	AEYZGANDTRWZEJ-OAHLLOKOSA-N	241.378	4.643	0	10	BJAE	
CCCC1([C@H](CC[C@H]2CCCC23CC3)NC)CC1	2255290922	KRGXPXLCQBHPNK-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NCCCC1CCCCC1)[C@H]1CC12CCC2	2256423299	CZBGTKKETGGUOX-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2CC(C)(C)C2(C)C)cc(C)c1C	2258233335	MGSAQAVAZFNOKD-OAHLLOKOSA-N	245.410	4.848	0	10	BJAE	
C[C@H](C[C@@]12CCCC[C@@H]1CC2)[C@H]1CC[C@@H](N)CC1	2260589269	XGPSMYBQAUQOOK-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
Fc1ccnc(-c2cccc(C3CCCC3)c2)c1	2260738247	RDGRRXOMLYOMIA-UHFFFAOYSA-N	241.309	4.545	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@@]12CCC[C@@H]1CC2	2298702657	QQLVORAQLKSLHR-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)C1(C)CC1	2300466529	RLRXOKZDZRFEFD-CYBMUJFWSA-N	231.383	4.719	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CCCCC[C@H]1C	2300688567	OLSGADFCSFCHJE-GDBMZVCRSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)C1CC=CC1	2300704410	QUGBCMAKTZWSOF-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1(CC2CC2)CCC1	2300705662	GVCDDKOWPFPWSA-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(=CC[C@@H]1CC[C@@H](C)[C@@H]1O)CCCC(C)C	2300869577	KCMHHDFIZOISSS-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CCCC1([C@@H](CC=C(C)CC)NCC)CCC1	2300877520	REODUFLQCFCEHB-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)CC=C(C)CC)CC1	2300877860	VJWDAWQDRNAZPZ-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CC(=CCCc1ccncc1)CCCC(C)C	2300930554	APFBFOXZQKFTAB-UHFFFAOYSA-N	231.383	4.787	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(CC2CCCCCC2)C1	2301139551	HKEHDBULVFUVAU-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C1(N)CCCCCCCC1	2301899271	HFEWDTNOSPSEAE-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc([C@H]3CC3(C)C)cs2)C1	2302261104	ZRDZAVGNTBHARB-GRYCIOLGSA-N	249.423	4.950	0	10	BJAE	
CCCCC1(NCCCC2=CCCCC2)CC1	2302345007	MPUZKLIWFRFFJP-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
O=C1CCCC[C@H](CCCC2=CCCCC2)C1	2302345326	QSXGOCRYJYCDDA-OAHLLOKOSA-N	234.383	4.807	0	10	BJAE	
CC[C@H](C(=O)CCCC1=CCCCC1)C(C)C	2302356390	MQGUKLJGKUMSNY-HNNXBMFYSA-N	236.399	4.908	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCCCCC[C@H]2O)C1	2302675895	POXHFFTVTRNRGP-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)C[C@@H]1CCC(C)(C)C1	2302682706	LVJHQXDCQVAGJW-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CC[C@@H]1C[C@H]1CC	2303570143	GXHRUJWMAHBIMC-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CC[C@H]2CCCC[C@@H]21	2307840012	CPVITEUETYTQGG-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@@]12CCCC[C@@H]1C2	2311128872	VNQAKUOENKQKRZ-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@@H]1C[C@H]1C1CCC1	2311472950	UDJFANZHNIYJHT-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)C[C@@]12CCC[C@@H]1CC2	2313337442	MYVGVBKTQWKYGJ-QEOTZNIISA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)C[C@@]12CCC[C@@H]1CC2	2313349381	WVSOMRPPBKTJSQ-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@](N)(CC)CCC(C)C)ccc1C	2314689749	MOHFSZAMGBJWAJ-KRWDZBQOSA-N	247.426	4.558	0	10	BJAE	
CC(=CCC(=O)C1C[C@@H]2C[C@H]2C1)CCCC(C)C	2316534726	CKEQAFGZNQWJMG-GJZGRUSLSA-N	248.410	4.764	0	10	BJAE	
CCC[C@H](CC)CNc1cc(C)c(OC)c(C)c1	2317368924	NFCPHAPFFJDQTF-AWEZNQCLSA-N	249.398	4.550	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1CC[C@@H]2C[C@H]2C1	2317934765	VQTFDIMPAOGYDB-BZUAXINKSA-N	246.394	4.662	0	10	BJAE	
CN[C@H](C[C@@]1(C)C[C@H]1C)c1cccc(C(C)C)c1	2320512498	AFKJZMPLEUFTNI-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CCCC1(C[C@H](O)c2cccc(C(C)C)c2)CC1	2320584240	FLVADSOUHRBCGV-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H](CC2CC2)C2CC2)c1	2320812462	MQOITYDJEPDWCS-KRWDZBQOSA-N	239.362	4.701	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)C[C@H]3CCC[C@H]2C3)C1	2321603830	WERMJNJNPQLBHU-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)c1c(C)c(C)c(C)c(C)c1C	19985686	AHJLLHDBLGNSPF-BMLIUANNSA-N	247.426	4.665	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@H](C)CC[C@H]2C(C)C)cc1	20558272	VADCFTVTIYEFOT-PVAVHDDUSA-N	245.410	4.868	0	10	BJAE	
CCCCC[C@@H](C)NC1CCC(CC)CC1	35135672	ONDDIVNTBDRPNB-WLYUNCDWSA-N	225.420	4.514	0	10	BJAE	
CCC[C@@H](C)CNc1ccccc1C(C)(C)C	36956408	MGMWYHSZXAKYIR-CYBMUJFWSA-N	233.399	4.832	0	10	BJAE	
CCCNc1ccc2cc([C@@H](C)CC)ccc2n1	70494183	MXPWBUWKIOJZMP-LBPRGKRZSA-N	242.366	4.570	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCCC[C@H]1C	83948799	XWKLEOVIRNMNQC-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CC(C)CC[C@]1(N)CCC[C@H](C(C)(C)C)CC1	86955932	FZBKVYNMNDEHIR-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)c1cccc2cc(C(=O)C(C)C)oc12	88071829	RREBQBWNNVBIDN-LLVKDONJSA-N	244.334	4.785	0	10	BJAE	
CC(C)C(=O)c1cc2cccc(C(C)(C)C)c2o1	88071839	HZAFQSXYIMYASF-UHFFFAOYSA-N	244.334	4.569	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NC1CCC(C(C)C)CC1	88294204	HBNFMDKPTQMZMH-QVOMUQBLSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C1CCCCC1	109726771	CLAJYSINPJQONM-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](NCCC)C(CCC)CCC	124656875	URJGCEVZNNRPTB-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCc1cccc(C(=O)C[C@@H](C)C(C)(C)C)c1	127544036	VWDRIKNYUDRRDZ-CYBMUJFWSA-N	246.394	4.894	0	10	BJAE	
CCc1ccc([C@H](CCC(C)C)NC)cc1CC	127982118	JNUULHYIMRCCQN-KRWDZBQOSA-N	247.426	4.508	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC(CC)CC)C1	129232650	UAHVHZDVWQSHRB-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCCCC/C=C/C=C/C=C/Br	139341253	VDIWLRCSQFHHQJ-OBWVEWQSSA-N	229.161	4.588	0	10	BJAE	
CC(C)(C)c1ccc(SC(F)(F)F)cc1	169091149	OHMYYFCDGXFESO-UHFFFAOYSA-N	234.286	4.596	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@@H](C)C1)c1ccccc1	216376084	INDTZGVJOJSOOG-OIISXLGYSA-N	245.410	4.696	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)C1(CC)CCCC1	229302933	YAHNLSDSTPNPAV-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H](N[C@@H](C)CC1CCC1)c1ccc(C)cc1	229681479	QDDNMDSSBSLGFZ-WMLDXEAASA-N	245.410	4.614	0	10	BJAE	
CCCN[C@H](c1ccc(C)o1)C1(C)CCCCC1	233178240	LXFZGPDWBAWDLK-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2(C)CCCCC2)C1	233930859	PQUAWXYGOYWNRW-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@H](c1c[nH]c2c(F)cccc12)C1CCCCC1	235084248	YCANZPJUZIDTRG-NSHDSACASA-N	245.341	4.991	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC2CCCCCC2)CC1	235303812	NSPKTVWAOFJLJV-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
Cc1nc(-c2ccc(C(C)C)cc2)sc1CF	260376841	DLHBMNUMNRYDQK-UHFFFAOYSA-N	249.354	4.711	0	10	BJAE	
CCCC[C@](N)(CC)CCC1CCCCC1	300773787	QEJYTQFOZQGRMZ-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CC(C)C[C@H](C)CNc1cc(F)cc(Cl)c1	300918965	MRFSKSMXQXLPSJ-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H]([C@H]2/C=C/CCCCC2)C1	304171528	HJJWHSNFKIJAOY-QEBBVAKMSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@H](C)C(C)(C)C	304248289	GJOXXXIRQSJHLY-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](N[C@@H]1/C=C/CCCCC1)C1CCCCCC1	306000151	NIYRJAGWDIOLST-NSBLKUNKSA-N	249.442	4.824	0	10	BJAE	
CCN[C@H](c1ccccc1C)C(C(C)C)C(C)C	306108523	UNZKVFCNIOKSOG-QGZVFWFLSA-N	247.426	4.574	0	10	BJAE	
Cc1ccc2cc(Cl)sc2c1Cl	306597694	OQPRDUWZSLAAOP-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
Cc1cc(C(=O)[C@H](C)C(C)(C)C)sc1Cl	306602054	BFNLWPSIWGJLML-QMMMGPOBSA-N	244.787	4.575	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@H](CCC)CC(C)C	308060100	RMLREBCDYYEVAS-ZNMIVQPWSA-N	227.436	4.602	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CC1(C)CCCC1	309363643	OJDCOSOVKFCCSU-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC1CCC(C[C@]2(O)CCCCC2(C)C)CC1	310456120	WUMZZAHBXUBPET-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CC(C)C(N[C@H](C)C1CCCCCC1)C(C)C	310523238	VFDIKIQFPWTBQD-CQSZACIVSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H](C)C(C)C	319658502	PTNFMNDJZNJZNM-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCCC12CCCC2	328164196	ITAYGTXXBKBPOC-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCC[C@H](N)C1	383275031	ZQLWTGLMYQQFOO-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CCCc1ccccc1[C@@H](NCC)C(C)(C)CC	384534476	DGXJMJSNKKBMKM-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc([C@H](N)C[C@@H]2CCC[C@@H](C)C2)cc1C	385306721	ZBSYTWRVXFSMKV-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
CC1(C[C@H](N)C(C2CCC2)C2CCC2)CCCC1	386284755	BMZJCULJTXQJGY-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](N[C@H](C)CCC(C)(C)C)C1CCCC1	387560837	XQHIIYCOIHUWLK-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
Cc1cccc(OC[C@H]2CCC[C@H](C)C2)c1C	394458175	LGRFIEUUAFWIEY-WFASDCNBSA-N	232.367	4.509	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](CC)C1CCCC1	395722656	OBBBBSLSTXSWDK-CVEARBPZSA-N	239.447	4.904	0	10	BJAE	
Cc1ccc(C(F)(F)F)c2scc(C)c12	396206230	ZUTULOSMBNFALM-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCN[C@H](c1ccc(CC)cc1)[C@@H](C)C(C)(C)C	399178652	NTJDAWHFKQDNJZ-CJNGLKHVSA-N	247.426	4.582	0	10	BJAE	
C[C@@H](C(=O)CCC1=CCCCC1)C(C)(C)C	399329883	UOWSPAYTVPHLIG-LBPRGKRZSA-N	222.372	4.518	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H](CN)[C@@H](CC2=CCCC2)C1	400673326	WCSBNQYNCWXHDB-HRCADAONSA-N	249.442	4.524	0	10	BJAE	
CN[C@H](C[C@H]1CC=CCC1)C1CCCCCCC1	402129672	FJKYOEIDHLDVKM-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C[C@@H]1CC=CCC1	402382164	ZLSWKOGORVPXJG-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccccc1[C@@H](O)CCCC1CC1	406004896	RFAVBSHUAALPBQ-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@H](CCC)CC(C)(C)c1ccccc1	686714283	YWNGPRKXNIUJJH-MRXNPFEDSA-N	247.426	4.523	0	10	BJAE	
CCC(CC)[C@@H](NCC1(C)CC1)c1ccccc1	687302436	NXFJMHGSUAJTEH-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1CC12CC2)NCCC	687497951	YBFBNHCVPLWSHJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(=O)CCCC1CCC1)CC(C)(C)C	688895468	OLIQESXEWLZVSF-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](N[C@H](C)CC1CCCCC1)C1CC1	689775670	APOKZFVIYPJZEQ-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H]1CC[C@H](C)C1	690189916	UXFAYSCYHZBNMX-LRDDRELGSA-N	245.410	4.720	0	10	BJAE	
CCC1CCC([C@]2(O)CCCCC[C@@H]2C)CC1	691183042	FWVBWOZPLITEIM-LBDPXKHJSA-N	238.415	4.534	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1CC2CCC1CC2	691752409	QWSIHSXIRKZANN-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@H](C)C2CCC2)cc1	692694184	ONRMQVAVBQKWMV-CYBMUJFWSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCC23CCCC3)CC1	693795175	NMNILNFXPYOAOW-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC1CCC(C(C)C)CC1	695100027	RCTZCJYRWBCHCQ-WLYUNCDWSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@H]1NC1CCC2(CC1)CC2	695690739	OSGIUGXFMFRKCF-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](NC)C(C)(CC)CC	701231327	MFZNMLUZEOOHKC-JKSUJKDBSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1cccc(C(C)C)c1	701539693	WZSJWWKVINNZNJ-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CCC1CCCCC1	704930032	QTPAGTKXVZPCFI-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H](Oc2cccc3sccc23)C1	705077670	RYFHCPZOUDKZIB-NWDGAFQWSA-N	246.375	4.859	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@@H](C)CC(C)(C)C	709139706	JGCLCLJVUXHEIP-RDBSUJKOSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C[C@H](C)CC(C)(C)C	709166341	OIDQMSACKWEYEC-RRFJBIMHSA-N	242.447	4.882	0	10	BJAE	
Cc1ccc(OC[C@H](C)CC(C)(C)C)cc1F	709264141	RBJOAKFHIYJANX-LLVKDONJSA-N	238.346	4.585	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)[C@H]2CCCC3(CC3)C2)C1	710141609	RNJGBDFWHIXRAV-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC)C[C@H](CC)C(C)(C)C	711184741	MNEJXLWGPUVNAJ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@H](C)C(C)(C)C	711214821	AJGDGYXLYCGVJM-ZDUSSCGKSA-N	232.367	4.558	0	10	BJAE	
C=C/C=C/CCC1(CNC(C)(C)C)CCCCC1	713724194	LUDSHFRGNRWFPD-VOTSOKGWSA-N	249.442	4.847	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)c1cccc(C)c1	713737099	YTCLVVIHXNTHNW-DKRLNXSXSA-N	243.394	4.558	0	10	BJAE	
C=C/C=C/CCCc1cc(Cl)ccc1F	713747812	ZQQZLDCFVXSIRW-ONEGZZNKSA-N	224.706	4.544	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CCC(C)(F)F	713987063	YKPULDPSHUUCFV-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]3CCCC[C@H]32)C1	714298468	MASDKAVZHJZDBC-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CC/C=C/[C@@H](C)Cc1c(F)cccc1Cl	714539708	KNZXTPDDNPHNAR-DFVUYQKZSA-N	226.722	4.624	0	10	BJAE	
CCCCCC[C@@H](NCCC)c1cc(C)co1	716208002	MJSSVWOQTKIFSC-CQSZACIVSA-N	237.387	4.599	0	10	BJAE	
C1=CCCC(N[C@@H]2CCCCC23CCCC3)CC1	718052038	JAFNOIJGPKQOLK-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
CC(C)=C(C)CCc1cc(C)cc(C)c1	718750471	GWUFKICGTBPUJI-UHFFFAOYSA-N	202.341	4.592	0	10	BJAE	
NC[C@]1(CCC2CCCCC2)CCC=CCCC1	718980989	WMEQVHCRXPSSBV-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1CCCCCC1(C)C	719200714	XYFIKTIPWJYHSU-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(N[C@@H]2CCCCCC2(C)C)CC1	719285533	JYNZRFIPMGYGEA-YMAMQOFZSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CCC[C@@H]2C[C@H]21	720994014	UJXYRHICYGRREW-QBPKDAKJSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)C(C)(CC)CC	721701714	JKPAKMNRMPRNHZ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](NC1CCC2(CCC2)CC1)[C@H]1CC1(C)C	1308823145	BGQAJCWRVLPYIJ-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
C1=C[C@H](CCCNCCCC2CCCCC2)CC1	1308926729	PMDGDQFVJQGWOB-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C=C/C=C\CCN1CCC[C@H](C)c2ccccc21	1473364405	WBIGUEJXSWIFRW-XVWMLYKFSA-N	241.378	4.523	0	10	BJAE	
c1ccc(CCCSCCC2CCC2)cc1	1656276313	KLLKJLUAPFYBTK-UHFFFAOYSA-N	234.408	4.543	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)CCCC(C)C	1900594621	OLJPWYHOPQKZFA-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CCCC1CCC1	1900595798	CIBGLBVDMZNVMF-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CCC(CC)CC	1900703014	LWUFDGDYJQAJIY-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](CC)CCC1=O	1900712234	HZNSZARKKKVVTA-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@H](CC=C(C)CC)NCC	1900842869	NZCJTTGVGVZSSQ-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CCc1cnc(CCCC2=CCCCC2)s1	1902248002	PRXANGOJUKMMLY-UHFFFAOYSA-N	235.396	4.529	0	10	BJAE	
CCCCCCS[C@@](C)(O)CCCC(C)C	1904819529	ROJRWYYQYSUUAS-CQSZACIVSA-N	246.460	4.835	0	10	BJAE	
CCC[C@@H](CC)CC1(O)CCC(C)(C)CC1	1905385374	ASRGJPBSANPJNQ-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
c1cc(C2CC2)ccc1NC1CC2(CCCC2)C1	1912712282	BHLUYWQBCNWLJF-UHFFFAOYSA-N	241.378	4.699	0	10	BJAE	
CC(C)CC[C@H]1CCCCCCCC[C@@H]1N	1913402495	FDDLLSBCKDNLPU-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@]1(O)CCC2(CCCCC2)C1	1915857775	MPTTZMZTORDZRW-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CCC2(CCCC2)C1	1916438174	NXFDCCHEBQOVCO-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@](O)(CC)c1ccccc1C(C)C	1919515393	OZWUHCRHXQJYIQ-INIZCTEOSA-N	234.383	4.598	0	10	BJAE	
CC(C)C[C@](O)(c1ccccc1)C1CCCCC1	1920029535	OZTJKNKSPBJPDS-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H]1CCCC[C@H]1CC	1920183662	WLYLVYKUEHNVQM-PMPSAXMXSA-N	239.447	4.891	0	10	BJAE	
CCCC1CC(C(=O)c2ccccc2C(C)C)C1	1921278478	KIUSKKWBQRXUMN-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCCCC[C@@](C)(CNC(C)C)C1CCCC1	1924075933	QXWSNFICNSCEQF-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C1=C[C@H](Cc2coc3ccccc23)CCCC1	1925853449	DFLRPPCNQMXMEC-ZDUSSCGKSA-N	226.319	4.722	0	10	BJAE	
C[C@@H]1CC(CC[C@@H]2C=CCCCC2)C[C@@H](C)O1	1925875754	YDTHERGLEIYIKH-RBSFLKMASA-N	236.399	4.717	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1CCC[C@H](C)C1	1925947097	YIXQVIIJZXDVIE-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1ccc(Cl)s1	1927981041	VDJLTOSFDJJTEN-JOYOIKCWSA-N	246.803	4.507	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1Nc1ccsc1Cl	1932482796	RCBKKQGAWSGVGK-VHSXEESVSA-N	243.803	4.638	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)c1csc(Cl)c1	1933587190	MXBHHGVULPXLGT-GZMMTYOYSA-N	246.803	4.507	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1ccsc1Cl	1933837568	QWVCZVFFTIDLEB-NSHDSACASA-N	243.803	4.538	0	10	BJAE	
CCCCC[C@](C)(O)CCC[C@@H]1CC1(C)C	1935924963	RMFHUUGNDVVHEN-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@](C)(O)CCCCCC1CC1	1936410235	JQTCANZQGKJJOT-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)c1ccc(C)s1	1937268584	RAEIVQLIXOWYDP-YPMHNXCESA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)c1ccc(N)cc1	1940967831	QILDDRXDPMEDIZ-KGLIPLIRSA-N	233.399	4.979	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CCC1CCCC1)NC	1941263267	NYRZAPNFBVCDQJ-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H](CC)C(C)C	1941264824	OUGUQHSBCUCPFZ-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](O)CC1CCCC1	1944618989	SBWNXUWSAABRCY-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C(F)(F)F)ccc1C[C@@H]1C=CCC1	1947552380	OCDCTFHFZIPTMG-LLVKDONJSA-N	240.268	4.523	0	10	BJAE	
CC[C@@]1(C(=O)CCCCCC(C)C)CC1(F)F	1948114814	QPUJDIHOEVYRFU-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C1CC(C)(CC)C1	1948407623	RIKIBPDTCYMOID-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(=O)[C@@H]1CCC2(CCCC2)C1)C(C)C	1949502710	XMQNDTIQCVIQJT-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC1CC2(CCC2)C1	1949839354	IAYIVLQSSWCJIU-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CC[C@@H](C)C(C)(C)C)CC1CCCC1	1949856533	CBOIAZYUDNJPKK-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC[C@H](CC1CCCC1)NC	1949872352	ZOZIOFXHVKRAQX-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C2=CCCC2)sc1CNC(C)(C)C	1950819393	XSARQZSQDFOZST-UHFFFAOYSA-N	249.423	4.512	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)C[C@@H](C)C(C)(C)C)CC1	1950907636	GIZUPQMGUQZTES-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CCC=CC[C@@H](CC)c1cc(F)ccc1OC	1951308600	JRJIANJIEGHPPG-GFCCVEGCSA-N	236.330	4.684	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]2CCCC[C@@H]2C1)C1CCCCC1	1967710696	AXOKSRQAAAXMFO-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC3(CCC3)C2)c1	1968251361	DDEYCRDQDSPINY-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1C[C@H]2C[C@@H]2C1	1968602335	JFDLCLLDCYYZCQ-HOTGVXAUSA-N	243.394	4.576	0	10	BJAE	
CCCN(CC(C(C)C)C(C)C)C1CCCC1	1968778945	IZFVQBKDCIYNCO-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](CC)C1CCCCC1	1969165045	LELXEKMFBZJFHI-CZUORRHYSA-N	239.447	4.760	0	10	BJAE	
CCCC(C)(C)CNc1ccnc2ccsc12	1973163151	AWINBEGYTHVLSG-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
C[C@@]12CCC[C@@H]1N(CCC1CCCCC1)CCC2	1973676906	ADXCJMVHAZMQLT-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
CCCC(C)(C)[C@@H](CCCC(C)(C)C)NC	1976010526	LNUUFDBXVMCADY-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCCCC1(C)C	1984574205	ATHOKHTXFGQITM-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](CC)CCC(C)C	1986946568	BSZTXSSXXCKSMY-ZNMIVQPWSA-N	227.436	4.616	0	10	BJAE	
CCCC1(C[C@@](N)(CC)C[C@@H](C)CC)CC1	1990639997	IRAPFAQBYIUCRK-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](CC(=O)C[C@H]1CC[C@@H](C)C1)C(C)(C)C	1996230196	SIMFIEMALRWCRK-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)[C@@]2(C)CC=CCC2)c1	1997604947	SOZLDMGMRRJYNK-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1[C@@H](C)[C@H]1C)NCCC	1998556193	LSHKZAGCFPDCOM-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CCC(C)=C(C)C)C1	2000168425	BMPZHVUOFURIBG-DOMZBBRYSA-N	234.383	4.684	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)C1CC(C)(C)C1	2000505988	WWFGEJBVLSWNNL-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1CC12CCCCC2	2001258437	FNEMGGVQWGXEPN-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C1CC(C(C)(C)C)C1	2002308019	SEYUXRTUEIYFGI-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@@](C)(N)C1CCC(C)(C)CC1	2002969317	XUNGYVVMINKOAQ-DVOMOZLQSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(CN)CCCC(C)(C)C1	2002984719	PYNZOUMRWGIWPZ-INIZCTEOSA-N	239.447	4.604	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CCC(C)(C)C2CC2)CC1	2009403241	AHNOCYXEWMGVQW-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2C=CCCCC2)CC1	2009409454	BKMWFQVQNSNEIL-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
CC(C)CC1([C@@H](O)CCC2(C)CC2)CCCC1	2009533106	AOXKHWMBJXYEMM-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@H](NCC)C1(C)CC(C)(C)C1	2009619945	PVBOXTSXFONTDJ-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CCCC1(C)C	2009635640	PRXQIVAIGVECLL-CJKAQPIMSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CCC1CCCCC1	2013274214	NMKYQZQLTAHOFI-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC(C)C(CC[C@@]1(O)CCCC[C@H]1C)C(C)C	2015333223	BWFYAIQICYZNAO-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@](C)(O)C1CCCC1)C(C)C	2015336460	QPHCWGQCVMYLIW-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CC1(CC)CCC1	2015595581	MZQIATBHKQPXOQ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC1(COc2cc(C)ccc2C)CCC1	2015597087	ZJDUYZXKQRPBDR-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CCCC1(C[C@@H]2CCC[C@@H](CCN)C2)CCC1	2015644513	NOQBSXHFFVBMOR-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CC[C@](O)(CC1(C(C)C)CCC1)C1CCCC1	2017115625	ZZJLTWOQBYZFQA-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)c1cccc2ccsc12	2017244025	HLHYXTXGOXCEDS-JQWIXIFHSA-N	244.359	4.520	0	10	BJAE	
CC[C@@H](CN[C@@]1(C)CCCC(C)(C)C1)C(C)C	2017612296	HHIDZZJNFYMRMV-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@H](O)[C@H](C)CC(C)C)CC1	2017648345	MOCSDWCIAVLZCF-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)CC(C)(C)C)CC1	2017723470	KDEYCJJPPPLRDQ-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(CC[C@@H](CC)NCC)CC1	2017729356	VZVPEXSWINXFIZ-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(CC[C@H](CN)C(C)C)CC1	2017732712	DFBNYSCKJBLAAD-UYSNPLJNSA-N	239.447	4.604	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CC[C@@H](C)CC2=O)CC1	2017771880	YXRRBUKYUJJPCH-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2C[C@H](C)CCC2=O)CC1	2017775932	IPCDBWZOPRUIAF-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](CC)c1ccco1	2018075794	XAGKCHNKVMWYQV-UONOGXRCSA-N	237.387	4.679	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC12CCCCC2	2018128118	VHYMVXGFRJYSCO-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CC1CCC(C)CC1	2019163214	HWDAEYXQAPPKOY-SLTAFYQDSA-N	239.447	4.569	0	10	BJAE	
CC[C@H]1CCCCCN1[C@H]1CCC[C@@H](CC)C1	2019181147	IGACSUOLEYLGHT-PMPSAXMXSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H]1CCCN(CCCC(C)(C)C)CC1	2019328009	MSEKOOCEHJPDPK-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCCCC(C)(F)F	2023352769	GJIZBSVOZXYVBN-LBPRGKRZSA-N	248.357	4.988	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@H]1CCCC(C)(C)C1	2024095211	PWQDHOSFGGNXKV-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C(C)C)C2)cc1C	2025572047	MZIPWCOLJNJNPJ-GDBMZVCRSA-N	231.383	4.540	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@H](C(C)C)C1	2025575740	ZQTWTWSTAKKETC-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@H](C)[C@@H](C)CC	2026165559	CJJCRXRHIQHZQS-JONQDZQNSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C1=CC[C@H](C)CC1	2026170421	PPNCEASLUSXJBW-DZKIICNBSA-N	237.431	4.667	0	10	BJAE	
CC1(Cc2csc([C@H]3CCCC34CC4)n2)CC1	2026538096	MBGQCUGSNFHMOT-GFCCVEGCSA-N	247.407	4.533	0	10	BJAE	
CCCc1ccccc1[C@H](N)C1=CCCCCC1	2027901305	JOEOIDHMNHYVGL-QGZVFWFLSA-N	243.394	4.529	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1cc(C)c(C)cc1C	2028242159	YHQOTRATKMDSOP-NVXWUHKLSA-N	248.410	4.718	0	10	BJAE	
C[C@@H](C[C@H](N)c1ccc(C2CC2)cc1)C(C)(C)C	2028590143	GWCZTOSFSFLPJR-LRDDRELGSA-N	245.410	4.636	0	10	BJAE	
CC1(CNC2CC[C@H]3C[C@@H]3CC2)CCCCCC1	2028975233	JPXWQFMHRUBSRH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(CCC(=O)C[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)CC1	2029173837	JIFQSIXUVHCJDA-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC(=O)c1cccc2c1CCCC2	2029726359	BXWPQRQFDCOMRP-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CCCC1(CNCC2(C3CCCC3)CC2)CCC1	2029735739	GLSPWASFHAWOOX-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](N)(C2CCCCCC2)C1	2030279629	MFACZYKDMBGNCT-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC1CCC([C@H](N)[C@@]23CCCC[C@@H]2CCC3)CC1	2031756036	AXSZWOKRJCJGAV-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)CC(C)(C)CC2(CC2)C1	2032509146	HWCLUGPJCWKBJG-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC1(CNC2CC2)CCCCC1	2032515198	QRGDBMADHRLALC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@@H]1[C@H]2CCCC[C@H]21)C1CCCCCCC1	2032774491	GJKPUUFSZZZMLK-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)cc(NC2CC(C3CCCC3)C2)c1	2033778643	CIBMXPXCPNWDPQ-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2C=CCC2)CCC[C@@H](C)C1	2035586033	AHTBKNAYLPPTBI-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC(C)CC[C@@](N)(C[C@@H]1C=CCCCC1)C1CC1	2037273443	SHTIMEKRMMWYGE-NVXWUHKLSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)[C@H]2CCC3(CCCC3)C2)C1	2037673326	VOHHUOHWJWKPMH-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CC(CN)([C@@H]2CCC3(CCCC3)C2)C1	2037695134	QJCDQUQEHHWDDZ-HPUBIQBYSA-N	249.442	4.502	0	10	BJAE	
C1CCCC(CCNC[C@@H]2CCC3(CC3)C2)CC1	2038582440	HTFSYESFSAHUIB-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCC1(C[C@@H](NC)[C@H]2CC23CCCCC3)CCC1	2038999188	IWJHZRQRMVEONQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](c1ccc(C)c(C)c1)C1(CC)CCC1	2039720356	RAGVDYPDQHNSDK-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@](N)(CC1CC2(CCC2)C1)C1CCCCC1	2040681194	QZEOPAIYEDSPBW-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H]([C@@H]1C=CCCC1)[C@@H]1CCC[C@H](C)C1	2043187193	KBRKLUBQWUWFSH-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1CC([C@@H](C)Nc2ccc3ccccc3c2)C1	2043543345	JQQBQCJCBXCNRW-MFOWVQHXSA-N	239.362	4.686	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NC[C@@H]1CCC=CCCC1	2045320573	NWCYKAHFVSGZEK-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC=CCCC1)C1(CC)CC1	2045322513	FOFHKLCTNMVOLH-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)[C@H]1CCCC(C)(C)C1	2045682125	IJEWWRYLEVXXNH-KKUMJFAQSA-N	248.410	4.764	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C1=CCCCCC1	2045822832	KGJCYQJSBFXUFT-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CN(C1CC2(CCCC2)C1)[C@@H]1CCCC(C)(C)C1	2046329177	VGDPFCDWHHVDPP-CQSZACIVSA-N	249.442	4.610	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@@H]1CC12CCCC2	2047006902	DYVDUAYYGPQDGZ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC12CCC2)C1CCCCCC1	2047927193	AMGPQMQUVMDNGE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(OC2[C@@H]3CCCCC[C@@H]23)cc1	2049192542	TUVJUGIKJFNUAQ-HZPDHXFCSA-N	244.378	4.768	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)c1cc(C)c(C)o1	2049804418	MPOZMPMEPXEQDM-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@H]1CCC2(CC2)C1	2049849034	NMFSPAQCUDIETR-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1ccc(CC(C)C)cc1	2051399499	HMNMTVHPWIMFAZ-KRWDZBQOSA-N	245.410	4.502	0	10	BJAE	
CCc1ccc2[nH]c3c(c2c1)C[C@](C)(CC)CC3	2051618816	WVYRUVUBECIABM-QGZVFWFLSA-N	241.378	4.635	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCCCCC[C@H]21)C1(C)CCC1	2052354802	WUWIMNLINGGILV-ZJIFWQFVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@]1(CNC(C)(C)C)C=CCCC1	2055279365	GIFJRCLSWIJDOU-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(C(=O)CC2CC(C(C)C)C2)cc1	2056669852	PKHKICHBRCXVGE-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C=C1CCCCC1	2056854960	CXJGJPVJDIXOKX-KRWDZBQOSA-N	244.378	4.563	0	10	BJAE	
CCCCC1CC(N)(C[C@@H]2CC3CCC2CC3)C1	2059495613	OSSQPRYUWHZHFI-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)CC1CC(=C2CCC2)C1	2061700108	UKNCTRBNZJZZFO-HNNXBMFYSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@@]12CCCC[C@@H]1CCC2	2062624565	KELONUROYRJTIT-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC2C[C@H]3CCC[C@@H]3C2)C1	2063430976	LITOMGBVYHRPSF-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC1C[C@H]2CCC[C@@H]2C1	2063490210	JEGCOVCQBJYCCP-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063512728	ZPTJOWQSPBOQIN-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCCC1(N)CC2(C1)CC21CCC1	2064007399	GTSCMKLBKFPZME-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@@H](C)C1(C)CCCC1	2067507269	AAOCJYFNLKBVIX-CABCVRRESA-N	245.410	4.614	0	10	BJAE	
CCCNCC1(C[C@@H]2CC23CCC3)CCCCC1	2069166581	ABGVZBZILWMTJE-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H]2CCC23CCC3)CCC1	2069338008	RNSBSROEXHSLCQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@@H]1C)C[C@@H]1C=CCCCC1	2071503752	JMFQZLSJVRDSOM-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CC[C@H]2C2CC2)cc1	2071798652	NSVQXNQBWFHUSD-HOTGVXAUSA-N	243.394	4.585	0	10	BJAE	
CCCC1CCC(C[C@H](O)c2ccccc2)CC1	2072665708	UGCCSCDFNGMWOT-DQPZFDDXSA-N	246.394	4.717	0	10	BJAE	
CCCCC[C@H](CC)Nc1nccc2occc12	2073292982	BFVSAYWZFQPEAA-LBPRGKRZSA-N	246.354	4.599	0	10	BJAE	
CCN([C@@H](C)C1CCC1)[C@@H]1CCC12CCCCC2	2075009712	APYUDHXOQIBGOX-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCN([C@@H]2CCC23CCCCC3)CC1	2075013724	WWRXDGHQLNUJQY-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCC1CCC(CNC)([C@H]2C=CCCCC2)CC1	2075365480	OTAJGBRDHNMNQL-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
O=C(CC1CCCC1)[C@@H]1C[C@@H]1C1CCCCCC1	2079491841	MHGFYTUHNRICIP-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079533414	WTDPSUSYXKTLKW-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@H]2C[C@@H]2C(C)(C)C)c1	2079851749	MYMRYWFXAQWGRU-HIFRSBDPSA-N	244.378	4.640	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC1(N)CCC2(CCC2)CC1	2079886916	RQWLKHABUAJWTC-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCC2)CCC[C@@H](CC)C1	2081682296	RSPLOLNNIOPDCF-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](C[C@@H]1CCCC2(CC2)C1)[C@H]1CC[C@@H](N)CC1	2082135290	BJNWHKJHGXDAEF-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
c1ccc(Oc2cccc3cc(C4CC4)[nH]c23)cc1	2138855679	CJEJNTJPJMXOIM-UHFFFAOYSA-N	249.313	4.838	0	10	BJAE	
Cc1ccc(NC2CC(CC3CC3)C2)c(Cl)c1	2213380369	UBMKRWHBLKRVML-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@H](CCCCCCC1CC1)C1CC1	2213573240	FQUHCXLNNPRBOP-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC1CC([C@](C)(O)CCCCCCC2CC2)C1	2213579665	GSSZLTAJBVKGAO-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@H](CCCCC2CC2)C1	2214568660	KFLVMWZCLCSXMC-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
Fc1cccc2ccn(C3CCCCCC3)c12	2214769316	MRANRTNOLLWJAM-UHFFFAOYSA-N	231.314	4.676	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)CCCC(C)(C)CC1	2215251491	LYBWZUZGPYZFGL-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C)(CC2(CN)CCCCCC2)C1	2215392517	GABAOYSSKJAQMN-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CC[C@](N)(CCCCCCCC2CC2)C1	2216883630	MMHSZYRTELDUIW-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC1(C)[C@@H](CCCCCCCC2CC2)C[C@H]1N	2216891873	IHFVFWKWZWOYFW-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218331004	INMVGERDTJYXQF-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CC2(C)CC(C)(C)C2)c1	2221003501	NOUOXHAFQLVTPF-OAHLLOKOSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C23CCCC2CCC3)C1	2221083725	LVWRFWYFRXUJME-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@H](CNC[C@@H](C)C2CCCCC2)CC1	2221663423	ALJFAMROCNQNNY-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@H]1CC=C(C)CC1	2221667641	MCVYLSGBRYDRCE-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C[C@@]23CCC[C@H]2C3)C1	2222264274	GNOLNKKZMBSCAL-YQFWSFKMSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCC1	2222956141	ZLWVMNSNXNIXLZ-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(CNC2CCC2)C=CCC1	2223576224	HETUCAGVNWNPAL-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@H](N)c1ccc2occc2c1)C(C)(C)C	2224161539	BNFLOXFHHCHEQJ-RISCZKNCSA-N	245.366	4.505	0	10	BJAE	
CCCCC(=O)CCC[C@H]1CCC[C@H](C)C1	2242763590	QBHCUZKMBUSPSM-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CCC(=O)CCCC[C@@H](C)CCCC(C)C	2244845263	NMEGQEKVWFATRK-CQSZACIVSA-N	226.404	4.988	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC[C@H]1CCCC12CC2	2247656504	RJPHWBSRYHDUDM-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CNc2cc(C)c(C)c(C)c2)CC1	2249501011	NYMLOJBOZJZLFJ-UHFFFAOYSA-N	231.383	4.604	0	10	BJAE	
CCN[C@H](CC[C@H](C)CCCC(C)C)C1CC1	2250469629	QPLHRCIBAYBCNJ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)c1ccco1	2250481554	NDCDYPAMHDXTDR-ZIAGYGMSSA-N	237.387	4.522	0	10	BJAE	
CC[C@H](C)[C@H](CC[C@H](C)CCCC(C)C)NC	2250488010	IANYEEXZBVLEOY-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@]12CCC[C@H]1CC2	2251205801	RHLAUBWTZMOCFW-IJEWVQPXSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCN[C@H]1CC(C)(C)CCC1(C)C	2251680547	DHCCFARZFYQIRG-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
C[C@]1(C(=O)CC[C@H]2CCCCC23CC3)C=CCC1	2253856762	RLHAYZHKMYQSCW-ZBFHGGJFSA-N	246.394	4.662	0	10	BJAE	
CC(C)=CCCN(C)CC[C@H]1CCCCC12CC2	2253858970	XBFNPVVGCIAART-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC1(C)C[C@H](CCC[C@H]2CCCCC23CC3)CN1	2253891360	VZBSUYQFFVZNHV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CC2(CCCC2)C1)C[C@@H]1CCCCN1	2254083404	DRQYQCBPBUJEHR-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@H](N)CCCCC[C@@H]1C[C@@H]1C	2254529367	HFEXXXRHEMHZRX-ZMSDIMECSA-N	245.410	4.601	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2CCC23CCC3)CC1	2254983203	ZFHYEOZKJZIGHN-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
O[C@]1(CC2=CCCCC2)CC[C@H]2CCCC[C@H]2C1	2255057493	JZUFXPRHMVXPMW-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1CCCN(CC2=CCCCC2)CC1	2255059622	UEAMBGVPKJLAJS-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CCC1CCC([C@](C)(N)CC2=CCCCC2)CC1	2255090902	FBPQIUXGNSDCCD-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)CC[C@@H]2CCCC23CC3)C1	2255323107	LKAMKGGZQWYUBH-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1NC[C@H]1CCCC[C@@H]1C	2256145048	UDLXFZODUVXLLD-GXTWGEPZSA-N	249.373	4.626	0	10	BJAE	
CCCN[C@@H](C=C(C)C)c1ccc(CCC)cc1	2256293522	ZLRMAPWHFMXGFA-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCN1C2CCCC1CCC2	2257292009	MTTQRNDTPMGRLG-NJINODPHSA-N	249.442	4.610	0	10	BJAE	
Cc1cc(C)cc(NCCCCC[C@@H]2C[C@H]2C)c1	2257299919	PCZHFNCDMLLLAY-HZPDHXFCSA-N	245.410	4.932	0	10	BJAE	
N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2CCC1CCCCC1	2258022885	DTZHNUISXGGGNF-GANOOXTDSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(NC[C@@]23CCC[C@@H]2CC3)CCC1	2260547801	XELILEYLBMZCQO-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
C(CCCN[C@@]12CCC[C@@H]1CC2)CCCC1CC1	2260638311	MPTLDOMQAYZSGC-IAGOWNOFSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H](NCC)c1cccc(C2CCCC2)c1	2260723161	JOBWTAAOGLHMMG-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CCCC[C@H](CC)Nc1ccnc(C(C)(C)C)c1	2260747106	XHJYPRMIEOAXDE-ZDUSSCGKSA-N	248.414	4.760	0	10	BJAE	
CC1CC(CC[C@H](N)CC23CCC(CC2)CC3)C1	2261495706	QMTNOQXMHDITSK-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CCCCCCC(=O)C(CC1CC1)CC1CC1	2298935303	HLQRSGZEFVBCQF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CCC1(C)C	2300463651	OYIVHKUJUJAQBW-OAHLLOKOSA-N	231.383	4.719	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1C=CCCC1(C)C	2300501883	SPKICDLYQKPHCM-CABCVRRESA-N	237.431	4.536	0	10	BJAE	
Fc1ccc(C(F)F)c(C[C@H]2C=CCCC2)c1	2300773585	RUCFJLNJTOBKST-JTQLQIEISA-N	240.268	4.662	0	10	BJAE	
CCC(C)=CC[C@@H]1CCCCCCC[C@H]1NC	2300899867	RYNQGLKXKRKXGN-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C)CCC=C(C)CCCC(C)C	2300901876	ODWOPGMBEXKIPO-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
C[C@H](CC1CCCCCC1)C[C@@H]1CCCCN1	2301238684	JEJLCLHXNNBGDR-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCc1cscc1N[C@@H]1CCCC12CCCC2	2302891425	CBHZNRPBTQCXIZ-CQSZACIVSA-N	249.423	4.835	0	10	BJAE	
CCC(CC)[C@@H](C[C@@H]1CCC(C)=C(C)C1)NC	2303594075	BYZJZJYNDQZKLI-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cccc(C(C)C)c1	2303707874	ALDHXPVDIWBIKB-CYBMUJFWSA-N	232.367	4.819	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cc(C)cc(C)c1	2307764378	WHQAQOGWLKWUJX-CQSZACIVSA-N	232.367	4.703	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@H]1CC[C@H]1C1CC1	2307893707	OFBSFQWDPMRQTE-BJJXKVORSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCCCCC[C@H]1N	2307900295	FNLNRIWLOOFGNJ-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CC[C@@]12CCC[C@@H]1C2	2310381759	KGCQASXTMIHLTA-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CCC[C@@H]2C[C@@H]2C)cc1	2310436336	JAVIYSXVIDBVEA-XKQJLSEDSA-N	246.394	4.670	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2311020889	DARXRDBKLJKAFI-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CC1)[C@]1(N)CCCC2(CCCCC2)C1	2313659524	MTHQFRDCARKNCQ-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCC(C)=CC[C@@H](O)[C@H](c1ccccc1)C(C)C	2316533535	APFNFGXINYOOEP-SJORKVTESA-N	246.394	4.534	0	10	BJAE	
CC(=CC[C@@]1(N)CCC2CC1C2)CCCC(C)C	2316562361	BIIVNECUXLPHHD-OFLPRAFFSA-N	249.442	4.667	0	10	BJAE	
CC(=CC=C1CCNC2(CC2)C1)CCCC(C)C	2316566376	XJLAXZKBDIKPEE-UHFFFAOYSA-N	247.426	4.601	0	10	BJAE	
CN[C@H](C[C@H](C)[C@@H](C)C(C)C)c1ccc(C)cc1	2317832112	SNRAWJUXCVLOPJ-YQQAZPJKSA-N	247.426	4.574	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H]1CCNc2ccc(F)cc21	2317951488	URELPHZRUBGYTB-SCRDCRAPSA-N	249.373	4.653	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)CCCC1=CCCCC1	2318501660	BTEYYZOGWPKDMT-CVEARBPZSA-N	248.410	4.908	0	10	BJAE	
C1=C(CCCn2ccc3ccccc32)CCCC1	2318538576	JEIIXTQWBBSUCN-UHFFFAOYSA-N	239.362	4.922	0	10	BJAE	
CC1(CN[C@@H]2CCCC[C@H]3C[C@@H]32)CCCCCC1	2319328992	LCGCKEFGZIYVHV-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(OCC[C@@H]2CC[C@@H]2C2CC2)c1C	2319746859	AQRLILMZLUHSMZ-JKSUJKDBSA-N	244.378	4.509	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC[C@@H]2CC[C@@H]2C2CC2)CC1	2319747582	GJXBEUKLKUYXRG-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320100165	AFEKNKJNEOICPZ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2320151207	GFXQPVTXRKIWGW-FHIRATQRSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC=C[C@](O)(C[C@H]2CCC(C)=C(C)C2)C1	2320340054	IUIKHDGRZOFYMY-IXDOHACOSA-N	248.410	4.620	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C[C@H]1CCC(C)=C(C)C1	2320391319	SEMMAIQDCMWTKC-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1CC	2320395959	XXXCPCRMPPRBEN-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCC3(CC3)C2)CC1	2320410926	HFFKEERLYIUBAM-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H]1c2ccccc2NC[C@@H]1C	2320458143	ZSLBMOLXCPEQOB-YJNKXOJESA-N	243.394	4.658	0	10	BJAE	
CC1(C)CN([C@@H]2CCC23CCCCC3)C(C)(C)C1	2320571234	HHDZPRGTVWFMKD-CQSZACIVSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H](CC1CC1)C1CC1	2320703775	VPOGPRDAHBOGLH-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCC(C)(C)C1)C1CC=CC1	2321633392	YDUYQVSEDBDJKS-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](N)c1ccc(C2CCCCC2)cc1	20546893	KTXKFJOPMOCUKX-QGZVFWFLSA-N	245.410	4.924	0	10	BJAE	
CC(C)C[C@@H](C)Nc1ccc(C(F)(F)F)cc1	20563766	QRWDVKDCNVGDGR-SNVBAGLBSA-N	245.288	4.552	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCC)c1ccccc1	35540483	FDZBHWGTJBFUAX-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CCN[C@@H](c1csc2ccccc12)[C@@H](C)CC	35555176	HHODOYLJXKPVNW-XHDPSFHLSA-N	247.407	4.598	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(Cl)cc1C	37217152	GMVSEPOUCORQFA-NSHDSACASA-N	225.763	4.639	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@H](C)CC	71127919	WZPMRMYKXGBMTQ-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1Nc1ccsc1	85527755	BMDWAYXCTWTILE-CHWSQXEVSA-N	237.412	4.765	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N[C@@H](C)c1c(C)cc(C)cc1C	109927798	KUCPXCWNKKXRTO-WQVCFCJDSA-N	247.426	4.697	0	10	BJAE	
CCC(CC)CC(C)(C)CCNC(C)(C)C	129010029	DZJNRUHNQFIFRH-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
C1CCCC([C@H]2CCCC[C@H]2CNC2CC2)CC1	150089764	DBDDIIXOCPQNCG-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@H]2CCC(C)(C)C[C@H]2C)c(F)c1	155849902	JMOOKOFESAULOV-OCCSQVGLSA-N	249.373	4.761	0	10	BJAE	
Cc1cccc([C@@H](N)C2=CCCCCC2)c1Cl	162869294	MIZXHUHBBZYBLJ-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)[C@@H](C)C1CC1	163499097	HPNMNBUDTJGMJH-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CC(C)CCC[C@@H](O)c1ccc(C(C)(C)C)cc1	165595907	APSHFEXZDKBQEY-MRXNPFEDSA-N	248.410	4.844	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)CCC2CCCCC2)c1	166783581	IDBKRAYUEWYPLW-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CCC(CC)C[C@@]1(O)CC[C@@H](C)c2ccccc21	167665015	GUCQMBSEPRUPJJ-DYVFJYSZSA-N	246.394	4.598	0	10	BJAE	
CCCC(CCC)c1nc2c([nH]1)C[C@H](C)C[C@@H]2C	212942468	KONXXXFVYRFSDA-NEPJUHHUSA-N	248.414	4.779	0	10	BJAE	
CCc1cccc(N[C@@H]2CCCC[C@H]2C(C)C)c1	214447214	UHVQZHPTSCJCDW-DLBZAZTESA-N	245.410	4.876	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCCC(C)(C)C1	226900461	IOOGBMOVHOVEGH-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)c2c(C)cccc2C)C1	228049000	IGRSKQOUSAQEPS-HLLBOEOZSA-N	246.394	4.553	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)CCC1CCCCC1	229269562	GUSYNUJWANCNHI-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H]1CCC12CCCCC2	230170955	SKBIVEZVFZGDAQ-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)[C@H](CNC(C)C)c1ccc(C)cc1	233345972	AHOURQABUHWZDF-RDJZCZTQSA-N	247.426	4.513	0	10	BJAE	
CC(=O)Cc1ccc([C@H]2CCCC(C)(C)C2)cc1	258389366	SJQOQMIHJMFIIB-INIZCTEOSA-N	244.378	4.502	0	10	BJAE	
Cc1cc(C(C)(C)C)cc(C)c1CC(F)(F)F	259340263	LOSRDZPTTGQSIJ-UHFFFAOYSA-N	244.300	4.706	0	10	BJAE	
CCC[C@H](C)[C@@]1(N)CCC[C@H](C(C)(C)C)CC1	300460824	BPOZVRVNXDVASL-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](O)[C@@H](CCCC(C)(C)C)C1	302326831	RNPCOSAZZNJORC-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CC(=O)c1ccc(C2=CC[C@@H](C)CC2)cc1Cl	304565097	OGQIYKAQVVNPGH-SNVBAGLBSA-N	248.753	4.746	0	10	BJAE	
CCCOc1ccc(NCCCC(C)(C)C)cc1	305941865	RLSHRWKQVFFELC-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CCc1cc(Cl)cc2scc(SC)c12	306825927	YSPOZWIUAXRAPD-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Cc1cc(C(F)F)cc2c(Cl)csc12	307301599	LLFYVNFKGDNCRJ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCCCCC[C@@H](N)[C@H](CCC)CC(C)C	308050314	KUQUEPLIVPOIOH-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](NC)C1=CCCCCC1	308077013	NOZAFPMLNXPQDD-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H](CCC)CC(C)C	308113415	QWIBBMSTHPLSNM-KBPBESRZSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@H](C)CC(C)C	310109128	OPVZZEGXMBLVTE-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CC2(C)CCCC2)C1	310181175	XDRYICHDTKPYFY-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCCCC12CCCC2	310322067	ZBNOQHAZVWUHEV-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H](C)C2CCCCC2)C1	310464395	GEJLBXCFLXXTLY-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc([C@H](C)NCC(C)(C)C(C)(C)C)c1	310834466	JQBMQLBRBUOMPX-AWEZNQCLSA-N	247.426	4.718	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@H](C)C(C)C)cc1	319546153	IXWMMYMEIDXSQC-QWHCGFSZSA-N	220.356	4.623	0	10	BJAE	
CCC[C@@H](Nc1ccccc1CC)C1CCC1	322484062	VCOATVJPYBVSRO-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H](CC/C=C/c1ccccc1)NCC	324345313	YQCZNOCEHVTNDX-JZUUQJBKSA-N	245.410	4.648	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@H]1CCCC1(C)C	383246152	VUOKDENSHXRBQO-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC([C@@H](O)[C@H](C)CC(C)C)CC1	383841596	VIBXODDXSAUSHD-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1ccccc1C(C)C	384056536	PCISHAPOWKMTAH-CZUORRHYSA-N	233.399	4.636	0	10	BJAE	
CCCc1ccccc1[C@H](N)C[C@H](C)C(C)(C)C	384691054	WXZVOOXBYBWCIV-XJKSGUPXSA-N	247.426	4.711	0	10	BJAE	
CC[C@H](NCCCC1CCCCC1)C1CCC1	395224922	PHAOLBCFKJRQGP-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(F)c(C(=O)C2(C)CCCCC2)cc1C	395930402	XPLYWIUNACGAEG-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCc1ccc(C(F)F)c2sc(F)cc12	396225529	WWFOYKZKBINECC-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](CC)[C@@H]1CC1(C)C	397654470	FPJFUPCARRFAFU-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CC(C)(C)C1CC1	405727868	KSFXMNHKMBNOSL-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CCCC1([C@H](O)C[C@@H]2CCC[C@H](C)C2)CCC1	686921478	DZLXOIYKYGGPTP-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CCCC2CCC2)C1	688800824	HUSBRIFPGRYOMA-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CC(C)CNCC1(CC2(C)CCCC2)CC=CC1	690527462	YVSJKBIBGHYIJN-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C1CCCC(CNC[C@@]23CCCC[C@@H]2C3)CCC1	693542636	CBIPUDOZTSJPED-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H]1CCCC(C)(C)C1	695056207	VUAJYMZFKQNPGV-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](CCC=C(C)C)NC)CC1	697747405	DYOVTKKDRRHLMB-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCc1cc2cc(C)ccc2o1	697986175	FQGKDOGWTXVOJF-UHFFFAOYSA-N	214.308	4.640	0	10	BJAE	
CC(C)CCCC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	699088123	TTWJRWATAZFDNT-CJNGLKHVSA-N	238.415	4.844	0	10	BJAE	
CCc1ccc(NC2C(C)(C)CCC2(C)C)cc1	699616282	ILBMNKIJNCFZGB-UHFFFAOYSA-N	245.410	4.876	0	10	BJAE	
CCNC[C@]1(CCCCCC(C)C)CC1(C)C	702165260	NNVPTIPYXWKHMA-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](CCC=C(C)C)NC)C1	704894055	RRBPAJSKLQYILQ-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CNC(C)(C)C)C[C@@H](C)CC(C)(C)C	709121174	DJUBFZDWGUIOPR-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
C[C@H](NCCC1CCCCC1)[C@]12CCCC[C@@H]1C2	709154927	LUOCNBGTFAGBRU-USXIJHARSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(N[C@H]2C[C@H]3CC[C@H](C3)C2)ccc1C	711122245	PPZGHZLZLNHEBP-XOIINTDNSA-N	243.394	4.548	0	10	BJAE	
O=C(CCCC1CCC1)c1cscc1Cl	711527979	DFBZJKKELVGGQU-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@H](C)c1ccccc1	713129745	MFKGGBUSKITUMI-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
CC[C@H](C[C@H](N)CCC(C)=C(C)C)C(C)(C)C	718490706	CXHSFIVHMAZPND-HUUCEWRRSA-N	239.447	4.913	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCC1=CCCCC1	720979799	RWJOAXOGQVXQNA-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCC1CCC(O)(CC2CC(C)(C)C2)CC1	723545426	IQPJRPUSTAIYMY-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@H]1NCCC1CC=CC1	724179378	KVTUQQZCMFOIEE-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
COc1ccc(-c2ccsc2C)cc1C(C)C	1240504347	YGIIERYTUDJXLA-UHFFFAOYSA-N	246.375	4.856	0	10	BJAE	
C(=C/c1ccccc1)\CCSC1CCCC1	1652424534	CZJCXZWJOPABKV-UXBLZVDNSA-N	232.392	4.766	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1cccc(F)c1Cl	1901719966	IDTWDOJGUSIFAP-VHSXEESVSA-N	243.753	4.572	0	10	BJAE	
Cc1ccccc1CCCC1=CCCCC1	1901956698	QXSYYJLYOYARLK-UHFFFAOYSA-N	214.352	4.818	0	10	BJAE	
CCC(CC)CCC(=O)CCCCC1CC1	1902164734	YPKOSKDZLBLBAO-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCCC(=O)[C@@H]1C[C@H]1C1CCCCCC1	1910659589	MPRKSGKNHVZKOB-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1C[C@H]1C1CCCCC1	1910660795	ZILOEIZGJZNGLN-MQQKUOPWSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CCCF)C[C@H](C)CC(C)(C)C	1913269235	ARCOVIXNCIJSLE-UONOGXRCSA-N	245.426	4.567	0	10	BJAE	
CCCN[C@@H]1CCCCCCCC[C@@H]1CC	1913395704	MYNJHELZMICOLC-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CCCNC[C@@]1(CCC2CCCC2)C=CCCC1	1916568319	ILTVXEIIYGRXNJ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCNC[C@]1([C@H]2CCCC[C@H]2C)C=CCCC1	1916570312	ZEVSNFZLRARNAH-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC[C@@](N)(C[C@H](C)C(C)(C)C)c1ccc(C)cc1	1920482852	XSBGEVGIPVLVJO-WMLDXEAASA-N	247.426	4.631	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)[C@@H](c1ccccc1)C(C)C	1921320715	PLORIMDCYODOAU-USXIJHARSA-N	248.410	4.613	0	10	BJAE	
CCCC(CCC)C(=O)CC[C@H]1CC1(C)C	1921418000	OSBKJMMWZUWEFH-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
Clc1cccc(NC2C[C@H]3CCC[C@H](C2)C3)c1	1923467279	ORKRMYMNCOZMHZ-RYUDHWBXSA-N	249.785	4.721	0	10	BJAE	
CCc1ccc(C(=O)[C@@H](C)C2CCCCC2)cc1	1924098515	HBAMXURUURNZRA-ZDUSSCGKSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@@H]1C[C@@H]1CC	1926172205	BTKPKTSVGCGGAO-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]1CC[C@@](C)(CC2(C)CCCCC2)C1	1940411431	WOFUOPNMTVEFOR-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](CCCC1(C)CC1)NCC	1940863023	KFLJVPYKBUBYPZ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1(CCC[C@@H](O)C2CCCCCCC2)CC1	1940868974	JAZCLTFRHDXXGT-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC1(C(=O)CCC[C@@H]2CC2(C)C)CCCCC1	1940884865	ZUPYTCBBDJJLQN-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@](O)(CCCCCC2CC2)C1	1941579558	PKDVZHQJADRFNY-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@@H](CCCCCC1CC1)NC	1941592447	UISXJXCKXJSGEF-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCC(C)C)C1(C)CC(C)(C)C1	1941990275	XCFDSSXIJIUWEQ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@]1(F)CCCCC[C@@H]1N	1943936894	KWXXICUNMHSSJJ-LSDHHAIUSA-N	243.410	4.593	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CC=CCC1)C1CCCC1	1944641223	JSDHWDXDGYQODZ-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)C(C)(C)C1CCCC1	1944800157	WRWQPZLKGOSMQD-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1CCC[C@H]1C	1944831116	JFAIFOMTYPUPAF-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@H](O)CCC2CCCCC2)C1	1945580985	BVWVTZNGQWROGK-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]([C@H](N)c1cccc2sccc12)C(C)(C)C	1945970087	KREFOGOWKDDSOQ-HZMBPMFUSA-N	247.407	4.583	0	10	BJAE	
CCC1CCC(N[C@@H](C)[C@H](C)CC(C)C)CC1	1948328679	VQXAGXQJFKGSQK-QVOMUQBLSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC1C(C)(C)C1(C)C)NCCC	1948436220	SMQKYMUNQCDABW-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](N)C1(C(C)C)CCC1	1948988034	GPPBSNYDJOHETQ-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CCCC1(C)CC1	1949052415	AXCTVVCKUQJFCE-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@@H]2CCC(C)(C)C2)CC1	1949400352	VDLBXZMUKQYEMW-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@H](N)[C@H]1CCC2(CCCC2)C1	1949450804	FSFKNMVBPLTRHC-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC(C)(CC)CC)c1ccccc1	1949906047	ZHCSWTRTEHKSHO-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
O[C@H](CC1=CCCCCC1)CC1CCCCC1	1949920779	GFJFAVFZKXZHET-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2(C)CCC2)cc1Cl	1968263013	UCPGPNASTMDXPD-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCC[C@@H](C)NC1CCC(CC)(CC)CC1	1968898483	CGGMLWVCNHHGKX-CYBMUJFWSA-N	225.420	4.514	0	10	BJAE	
CCC(CC)(CC)[C@H](CCC(C)(C)C)NC	1978528120	UDVBKVRZMJTPSK-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@](C)(CCC(C)C)CNC(C)C	1978638164	KOGWCFLBTGVMTR-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC)C1CCCCCCCC1	1980334410	OGEIRALDQXXMRU-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC=CCCCc1ccccc1C(F)(F)F	1984611191	WTXMXCNZNXGWMQ-UHFFFAOYSA-N	228.257	4.604	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCCC(C)(C)C1=O	1991626050	IGSXZJAKRXAYJX-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@@H]1CCC	1992976220	FGXHUQNLYJRDCR-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1ccccc1NCC[C@@H](C)C(F)F	1996079671	BRLYMSCQCPGVLB-LLVKDONJSA-N	241.325	4.513	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@H]2CC)CC1	1997117557	RSUIVEQSUQSLCV-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@H]1CC=CCC1	1997547389	WRVYKQJBPIWXII-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@@H]1CCC=CCCC1	1999987577	HKWUVWAYGUBLMW-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)C[C@H]1CCC=CCCC1	1999994908	ZMYXVDVHMGBTPU-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(CNCCC)[C@H](C)CC(C)C	2000510972	FJKBECHVYOJGLY-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCCCN([C@H](C)CC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2000900823	RMMHVUDHPSCGJA-QXSJWSMHSA-N	239.447	4.712	0	10	BJAE	
CCC(CC)CN(C)C[C@H]1CCCC(C)(C)C1	2002985123	NORMMFPTWLLCKN-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@@H]1CCCC(C)(C)C1	2002993790	NRWYXZCCRQXRAQ-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CCCC2CCC2)C1	2003012801	CGCHJZNCQASFSD-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(O)CC2(C)CCC2)C1	2003022221	SOPQYICYPKHKQF-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
Cc1ccccc1C(=O)CCCCC1CCC1	2003646376	NMTRNYKHKYRITC-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H](CC)CC(C)C	2004228632	PWIDLEMDEOORMF-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CCCCCC[C@@H]1CC[C@@H](C)[C@H](NCCC)C1	2006960308	YJGYEKQSTMDPHB-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1C[C@@H]1CCC=CCCC1	2006990137	YJLFTSIUVBAXPE-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](Nc1ccc(CF)cc1)c1ccsc1	2007024649	LZCGRAUZCIDUEI-AWEZNQCLSA-N	249.354	4.781	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccc(CF)cc2)s1	2007030594	FULLGIJPDKQRSK-NSHDSACASA-N	249.354	4.699	0	10	BJAE	
CCCCC[C@@H](NCC)C1(C)CCC(C)CC1	2007690945	BJNWORQRFWXFHI-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CC(C2CCC2)C1	2007785912	RSNXIZMYWPJOEJ-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](C[C@@H](N)C=C1CCCCC1)CC(C)(C)C	2007938524	YQMKRFUZZDUVKB-DZGCQCFKSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@](N)(C=C1CCCCC1)C1CCCC1	2007969092	XPKONTFSOVTXSW-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCSc1ccc(C(=O)CCC2(C)CC2)cc1	2009612327	UQPISBGAKFNJOZ-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@@H](C)C1CCCCC1	2009616437	JDHVWRRPCPRVFG-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H]1CCCC[C@@H](NCCC)C1	2009618406	BHEQCRGCIKKQKH-KADIJHKTSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@@]1(CNC(C)C)CCC[C@H]1C	2009620358	USWQBXICJAJKEO-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(F)(F)c1ccc(NC2CCCCC2)cc1	2012751036	YSBIVLQYXVGYJI-UHFFFAOYSA-N	239.309	4.543	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1CCC1(C)C	2014851405	CSQSUNSUBVQORD-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C[C@@H]1CCCCCC[C@@H]1O)C(C)C	2015275686	RVPYMJRYCILPLM-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)C[C@](C)(O)[C@@H]1CCCC(C)(C)C1	2015291878	WMEURINKLNYUQX-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@H](O)C2(CC(C)C)CC2)CCC1	2015761147	TUXSCVIKLGFHRJ-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@]1(C)C[C@H]1C)NCC	2016457485	QJIVWNXVDSBLJM-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NC)C1(C(C)(C)C)CCC1	2017130445	CLODGKHZMDMFJZ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(C[C@@H](O)[C@@H](C)C(C)(C)C)CC1	2017648875	QHQJVHAAJADIOY-XSCHDIRWSA-N	240.431	4.636	0	10	BJAE	
CCC1(NC[C@H]2CC[C@H](C)CC2)CCCCC1	2017720863	IOUZGPDGCOVFRB-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@H]1CC[C@H](CC)CC1	2017723388	JKBOUWDSEBAOLR-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)C[C@H](C[C@H]1CC[C@H](C)CC1)NC	2017731042	NCSDIWZMNGOCBX-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(O)CC[C@@H]2CC)CC1	2017777596	FULPZXMYOKDBHU-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)C(C)(C)C(F)F	2017797183	RARMGNMJMWHJNK-NEPJUHHUSA-N	249.389	4.615	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@@H](CC)C1	2018139502	SGTMDJFQJSUDGV-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@]23CCCC[C@H]2C3)c1	2018588523	VDNWSZWQQSPYEZ-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CCCC1(C[C@@]2(N)C[C@@H](C)CC(C)(C)C2)CC1	2019003487	YOXAAEUHWHEYKW-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)N(CCC(C)C)CCC(C)C	2019389158	NPUQJWKAINHARK-HOTGVXAUSA-N	241.463	4.815	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](CC(C)(C)CC)NCC	2022482384	BRALMJMTGYSENP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CCCCC(C)(F)F)CNC(C)C	2023286931	CIMYBWQKOYZEQN-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
Cc1ccc(C)c(-c2cc(N)c(C)cc2Cl)c1	2023941178	TYZHTDCJYSDGGQ-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC=CCCCc1ccc(C)c(C(F)(F)F)c1	2026345590	GJSORUCRKVNZPT-UHFFFAOYSA-N	242.284	4.913	0	10	BJAE	
c1sc(CC2CCCCC2)nc1C1CCCC1	2026606934	JUNIFFFLNRMKJB-UHFFFAOYSA-N	249.423	4.924	0	10	BJAE	
CC(C)C(C(C)C)[C@H](C)N[C@@H](C)c1ccccc1	2027109770	ODMUZKLZCGSZKC-GJZGRUSLSA-N	247.426	4.654	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)c1cc(C)cc(C)c1	2027819779	DYVSBYHGRHGHNX-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CC[C@@H]2CC[C@H]21	2027991917	QCXLTMYLGACZRM-GZBFAFLISA-N	243.394	4.585	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@@H]1C1CCCC1	2028466016	QBQLYFQOSMQSQJ-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC1(c2ccc(NC[C@@]3(C)CC3(C)C)cc2)CC1	2032242613	JXHHDUHUQMBBGI-QGZVFWFLSA-N	243.394	4.586	0	10	BJAE	
CCc1ccc(CC)c(NC[C@@H]2CCC[C@H]2C)c1	2032513524	HZCOVTZNDVJCHW-CJNGLKHVSA-N	245.410	4.660	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@H]2CCC(C)(C)C2)cc1	2033405486	ZXJPWULACRUZAW-HOTGVXAUSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)[C@H]2C(C)C)cc1F	2035410132	NQKGXDNXVCQRRB-APHBMKBZSA-N	249.373	4.617	0	10	BJAE	
C[C@H](C[C@H](N)CCCC(C)(C)C)c1ccccc1	2037104566	ANSCRQVQSDREQU-GDBMZVCRSA-N	247.426	4.724	0	10	BJAE	
C[C@H](C[C@]1(N)CCCCC12CCCC2)C1CCC1	2037157962	QHZIFBLGSFXPPL-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)[C@](C)(N)c1ccc(C(C)(C)C)cc1	2037216065	YVXZNXSZTYJODG-QGZVFWFLSA-N	247.426	4.594	0	10	BJAE	
CCc1cccc2ccn([C@H]3CCC(C)(C)C3)c12	2037674170	CGSSCOILLRIUAE-HNNXBMFYSA-N	241.378	4.955	0	10	BJAE	
C[C@H](C[C@@H]1CNC2(CCCC2)C1)C1CCCCC1	2037729525	ILAVTBCBUHWBQQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC1([C@@H](NC)c2ccccc2C(C)C)CCC1	2039723979	HIJIYCDSKNPNQM-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCC1(CN[C@@H](C)C23CCC(CC2)C3)CCCC1	2039865770	RWSQTEZIXGHVCA-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](O)(c1ccccc1)C1CCC(C)(C)CC1	2040633642	QRIQGLWKGCEXQR-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC1(C)C)C1(C)CC=CC1	2042021058	DEZRQMMKLQIUFN-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](NC[C@]1(C)CC=CCC1)C1CCCCC1	2042068499	YECDJKXSTDUNOL-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](N[C@H](C)C1CC(C)C1)c1ccccc1	2043543834	NGQBQEVNPDLFEM-CPBWPMLKSA-N	245.410	4.552	0	10	BJAE	
Cc1cc(C(=O)C2(C)CCCCCC2)ccc1F	2045596922	USIZDRBDEFTGHD-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@H]1CCCC[C@@H]1CC	2045799435	MBFVYAUAGGDJBX-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(N(C)CC2(C)CCCCC2)cc1	2046571464	TZUXGKZXSMKQHS-UHFFFAOYSA-N	245.410	4.656	0	10	BJAE	
CC(C)Cc1ccc(C(=O)CC2(C)CCC2)cc1	2046906518	SMNGPACQGZRWPB-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@H]2CC23CCCC3)CC1	2047054380	DBCSGSMIQBJBMM-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@@H]1CC12CCCCC2	2047060818	AMKVZYNKWCIDMU-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C[C@@H]1CCC12CCC2	2047930447	ANNRVHZJSWZQCK-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2048444339	BEADXRFKMVLYNM-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCCC2(CC2)C1)C1CCC1	2049867394	UUMCMXJSCZGYNF-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](NC)[C@]1(C)C=CCCC1	2049998701	XEMCVICRHJYLJO-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCC1CCCCC1)c1cccc(F)c1	2050491028	ARAGLZKFSDCNRG-INIZCTEOSA-N	249.373	4.576	0	10	BJAE	
CC1(CC[C@@H](N)c2ccc(F)cc2)CCCCC1	2050493307	WTMPZSJPHDZVFU-OAHLLOKOSA-N	249.373	4.576	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)c1cccc(C(C)(C)C)c1	2055225762	LANUPYMKFGLAKH-SWLSCSKDSA-N	244.378	4.603	0	10	BJAE	
CC1(C(=O)C2CCCCCC2)CCC2(CC2)CC1	2056539762	PMMGJPXIVDVOAN-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C[C@@H](C)C2CC2)cc1	2057357465	KZMUNQVUDFROBQ-CHWSQXEVSA-N	244.378	4.819	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCC23CCCCC3)C1	2058831263	JDWUTUHQIFBHRF-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1CCC[C@H]2C[C@@H]21)NCC	2059258640	ILBICBJZIKFBRN-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)C2=CCC(C)(C)CC2)C1	2061116140	NHCGZPYWFBILSU-JLJPHGGASA-N	249.442	4.667	0	10	BJAE	
C1CCC(CCCNCC[C@@]23CCC[C@H]2C3)CC1	2061575503	SZYKQEXAQRHKAN-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063501163	MSMBQXVOEYSUMH-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC2C[C@H]3CCC[C@@H]3C2)C(=O)C1	2063523531	CSERYPMPUYVXGR-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C23CCCC2CCC3)C1	2063853940	YYUKPHVAKWDKSG-JPQBHMHHSA-N	248.410	4.742	0	10	BJAE	
C1CCC(CCNCC23CCCC2CCC3)CC1	2063903739	YFSBQHXJUGJHSY-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1cccc(N[C@]2(C)CCCC2(C)C)n1	2066353445	CSXUEPPHTIZHCD-MRXNPFEDSA-N	246.398	4.586	0	10	BJAE	
CCN[C@@H]1C[C@H](C2(C)CCCC2)C12CCCCC2	2067498005	HEKOKFPZVGVINV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@@H](C)C1(C)CCCC1	2067572215	YAGVMKFJBYJNRC-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC1C[C@@H]2CC[C@H]2C1	2068704558	RARAVRHXIDFMNV-UGUYLWEFSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)c1cccc2ccccc12	2068820492	XQAWDEYDYZPDFB-CXAGYDPISA-N	241.378	4.522	0	10	BJAE	
CCCC1(C[C@H](N)c2c(C)cccc2C)CCC1	2069267908	IKGADBXCJGUPFP-HNNXBMFYSA-N	245.410	4.664	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2069509748	TUUIWZGHEMPIGL-QKDCVEJESA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)C1(CC2CCC2)CC1	2069564439	RWHNUFXMURMJKU-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC23CCCCCC3)C1	2070392323	HOOLNTRPDATYBY-HNNXBMFYSA-N	249.442	4.754	0	10	BJAE	
CCCC1(CN2CC[C@H](C)c3ccccc32)CC1	2074590549	LKJAVBKHZDRNQV-AWEZNQCLSA-N	243.394	4.581	0	10	BJAE	
CCC1CCC(N2CCC[C@H]3CCCC[C@H]32)CC1	2074860337	SCLCLMATYCAAFP-MNAZLIDISA-N	249.442	4.610	0	10	BJAE	
CC[C@H](Nc1ccccc1C1CCC1)[C@@H]1C[C@H]1C	2077264704	YRHIUSGBDDRLQS-WQVCFCJDSA-N	243.394	4.801	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1C[C@@H]1C1CCCC1	2079429820	ZOLQOJHFZDKKHV-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C[C@@H]1c2ccccc2NC[C@@H]1C	2079660013	JVXLFXKLGGGQDY-XRGAULLZSA-N	243.394	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	2079862802	IBDCIPRGNNXSDX-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@@]1(CC=C2CCC2)CCCC[C@H]1C	2081677840	QVWVKFUXPVBIAC-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1NCCC1=CC1CC(C)(C)CC(C)(C)C1	2082972453	JMNCYMWWCSSNQL-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C=C2CCC[C@@H](CCN)C2)C1	2082981452	DDTYTRDDBKCPKR-GOEBONIOSA-N	249.442	4.668	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)C[C@H](C)CC	2212588480	OIPQZOXRGPSMIT-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N(C)CCCCCCC1CC1	2213534702	MJEVNGUIJGBTBM-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)c1scc(C)c1C	2213652930	BEUJKAMQOYSUPO-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(N)CCCC(C)(C)CC1	2215251489	LYBWZUZGPYZFGL-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2(C)CC(C)(C)C2)C1	2215383902	COQVHBPPGXAPIB-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CNC1CCC1)C[C@H](C)CC(C)C	2217126163	SUGIDYSDMXHHTM-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@H]([C@H](C)[C@@H](C)CC)C(C)(C)C	2217129322	KDSKVFZZNSUQQW-BYNSBNAKSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CCCC(C)C)C(C)C	2217135563	GPPGRZVXCCOQMA-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CC(C)(C)C)CCC1(C)C	2217155461	CKRPRWUXTJRRCY-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC2(CCCN2CCCC2CC2)CC1	2218018790	HXRGXOIAAYGMFW-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218356020	IOVTTWQJSXMVJP-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC[C@](C)(CCCC(C)C)Oc1cccc(N)c1	2218951067	SSCLTJJZXWFDLK-MRXNPFEDSA-N	249.398	4.643	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@@H]1CC[C@H]1C	2220525315	WQBNKDOHIMJVTL-YALNPMBYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)c1ccccc1C(C)(C)C	2220959490	KLTMCMDBBIJUTA-CHWSQXEVSA-N	244.378	4.603	0	10	BJAE	
Cc1ccc([C@H](O)CC2(C)CC(C)(C)C2)cc1C	2221003890	OKALVUMALJCOKO-OAHLLOKOSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(N)CCC[C@H](C3CC3)C2)C1	2221023919	WNUZRFAYESTLLS-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@H]2CCC[C@@H](C)C2)CC1	2221631875	ORMOXPQOPGDKCN-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CCC2)CC12CCCCC2	2223554203	DLSUMGJUKIMWOF-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NCC1(CC23CCC(CC2)CC3)CC1	2223563154	XLPKGPUWZSNEQI-FHERZECASA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H](C)c1ccc(C)cc1	2223964554	VTPZQQNPJJVOIU-DOTOQJQBSA-N	247.426	4.657	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1cccc2ccoc12	2224198946	XTZWPKKSWXPXPX-WFASDCNBSA-N	246.350	4.539	0	10	BJAE	
CCc1cc(Cl)ccc1C(=O)CCC(C)C	2243657330	VUPKWLFQTQFNKA-UHFFFAOYSA-N	238.758	4.521	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCCCCC(C)C	2244782007	LEDGYXXRVIBXCO-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC1(CCC)CCC1	2244801493	RIGDHYHMUIDSDG-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(F)c(C)c1F	2246375437	IGOMCPPMCZKMAK-SNVBAGLBSA-N	241.325	4.510	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCC[C@H](C)C1)C(C)(C)C	2246664216	IDXVWSVGOZOEFA-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)(CCCC[C@@H]1C[C@H]1C)C(C)(C)C	2247114921	TXTQDAGPJKQJCU-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H]1CCCCCC[C@@H]1O	2247164715	KCEFSGOUIMDOIS-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C(C)(C)C(C)(C)C	2247175626	KFXKAQVDEKDEIL-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@H]1CCC1(C)C	2247382064	UODGZHZGDRPEJG-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCC1(C)C)CC(C)C	2247436071	WLJZULWJHRDBTA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CCC2(C)C)C1	2247446045	GSMMXLFQRXKBQF-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](NC(C(C)(C)C)C(C)(C)C)C1CCC1	2247758357	VETTUZRVXBIVAN-CYBMUJFWSA-N	239.447	4.616	0	10	BJAE	
CCC1(C(=O)CCCCC[C@@H]2C[C@@H]2C)CCC1	2248866017	MUUFQWYETZLBMH-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(N)C1CCC1	2250482942	XVIOHEOMWDCNMJ-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)N(CC)CC[C@H](C)CCCC(C)C	2250516082	FTBOFKLVCBUQLT-HZPDHXFCSA-N	241.463	4.959	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC1CCNCC1	2250530908	WHFTXVUVNLLPFO-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@]12CCC[C@@H]1CC2	2251163329	PVVKXMNZKSJMFP-MLGOLLRUSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C)CCC1CC(CC(C)(C)C)C1	2251532930	AHNGKFAEYIPIQG-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@]1(N)CC(C)(C)CCC1(C)C	2251658259	FWAUKCNFAJHVEP-CZUORRHYSA-N	239.447	4.602	0	10	BJAE	
N[C@H](C[C@@H]1CCCCC12CC2)C1=CCCCCC1	2253780023	CSMQWHYXYBLTHN-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)[C@H]1CCCCC12CCC2	2255030035	WNTNVDQCSGHSAS-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@H]1CC1=CCCCC1	2255091732	NABLLMDLIFBFHU-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@]12CCCC[C@H]1CC2)C1(CC)CC1	2260581672	FADPFLFREQYJGQ-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CC[C@H]1CCC[C@H](C)C1	2298255834	AGLRYFPKWDPJJH-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@H](C)CC1CCC1	2298872435	ZSEKJUGTNGLPPE-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H](N)C1(C)CCCCCC1	2298920323	LLKNBDIQUFGYDL-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@@H](CC)C(C)C	2300676351	NPNJPLOVOUWOQL-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CCN(C)C1CC(CC)(CC)C1	2300676560	QCHUQZYUGLYBEO-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@H](C)[C@@H](CCC(CC)CC)C(C)C	2300684220	RQDVOAKSNPUVBT-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC[C@@H](N)CC1CCCCCC1	2300684576	WCOOMZYLVXTSBS-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@@H](C)C(C)C	2300687768	GESWVAZBACRPOR-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC[C@]1(CN[C@H](C)CC)C[C@H]1C	2300687884	HMEPCBGWVUJCDM-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]1CCCC[C@@H](CCC(CC)CC)C1	2300689092	UNTLHKNMGWDLKB-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
C[C@H](Nc1cc(C2CC2)ccc1Cl)[C@@H]1C[C@H]1C	2300695967	YFZSINYZFPLJPW-GBIKHYSHSA-N	249.785	4.674	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H](CC)C(C)C	2300879303	GBRCQWYCCOIEEQ-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CC=CC[C@@H](C[C@H](C)CC(C)(C)C)NCCC	2300896832	MYGDCFHHESIGBN-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CCC(C)=CCC(=O)[C@@]12CCCC[C@H]1CCC2	2300926905	QABPGHRIRNRRRM-GOEBONIOSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2301066070	LIBRCFSMMQVDCG-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H](O)C1(C)CCCCCC1	2301829544	QKTDIBDTDXSRRS-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)c1ncccc1[C@H](F)C(F)(F)F	2302230231	DXDVFURLWVUITQ-NSHDSACASA-N	249.251	4.558	0	10	BJAE	
CC1(c2nc(CC3CCC3)cs2)CCCCC1	2302256040	CBBJAVZIONNNPD-UHFFFAOYSA-N	249.423	4.708	0	10	BJAE	
CCC[C@](O)(C[C@H]1CCC(C)(C)C1)C(C)(C)C	2302710169	OCJKTOTXLQAHOE-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1CCC(C)(C)C1	2302713458	PAEGNYUORQNIAW-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@@H]1CCC(C)(C)C1	2302900342	DBBIJLAALCBGGF-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCCNCC[C@H](C)C[C@@H]1CCC(C)=C(C)C1	2303520434	AVQOAYWPQKWEIU-BBRMVZONSA-N	237.431	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@](C)(N)CCC(C)C)CC1	2303525875	WPRWPWQUIZWYMO-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@@H](CCCCCNC(C)(C)C)C1	2304447808	RPQSCZZLMFHQMH-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2310895139	QKMCVMJADNHKMG-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C=C[C@@H]1C[C@H]1C1CCCCCC1)CN	2311577164	GGYDZHRULIOYCF-UAGQMJEPSA-N	249.442	4.524	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C(CC1CC1)CC1CC1	2313647355	GIYHSKXJTYIGKX-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H](CC)c1ccccc1	2316239199	PWPTYQVLJBXEGT-SJORKVTESA-N	247.426	4.724	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)[C@]12CCC[C@@H]1C2	2316876189	SNTLJQJUGHGDIJ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1[C@H](N)[C@H](C)[C@H](C)C(C)C	2317823073	GTOCQDUVHXFIFH-CKEIUWERSA-N	247.426	4.567	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H]1CCNc2ccc(F)cc21	2317951489	URELPHZRUBGYTB-SGMGOOAPSA-N	249.373	4.653	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)C[C@@H]2CCCC[C@@H]21	2318552064	VDLXOWYJHKFLDS-YESZJQIVSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)C(C)(C)C1CC1	2318592375	IKKUVCPMEJZFKE-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
O=C(C/C=C/c1ccccc1)CCCCC1CC1	2318885122	KBNAVBIEZGGEKN-UXBLZVDNSA-N	242.362	4.629	0	10	BJAE	
CCOc1cccc(F)c1C[C@H]1C=CCCCC1	2319126458	OXZCDJPLMFSCCD-ZDUSSCGKSA-N	248.341	4.513	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1cc(F)ccc1C1CC1	2319172845	BQXMBZCAKBTVII-NSHDSACASA-N	248.341	4.568	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC[C@H]2C[C@H]21)C1CCCC1	2319353351	DSQPEOQDDKQWHQ-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
CC(=O)[C@@H](C)C[C@@H](c1ccccc1)C1CCCC1	2319671294	XPPOEVLUWGGFLW-GUYCJALGSA-N	244.378	4.576	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)C[C@H](C)CC[C@@H]2C)CC1	2320328496	PUWJOZGMVXNVTC-VJUNAUMWSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@](CNC2CC2)([C@H](C)C(C)C)CC1	2320398790	SQKVLBFLKFAGAH-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@H]2C[C@@H]2C2CC2)CC1	2320412081	HPPDBZGICBYGJY-UKPHBRMFSA-N	246.394	4.518	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H]2CCC(C)=C(C)C2)C1	2320420817	RQUUCSWYNIJMIM-HWOWSKLDSA-N	248.410	4.908	0	10	BJAE	
CC(C)CC12CC(C[C@@H](N)CC3CCCC3)(C1)C2	2321637782	VDOGMAMXKSBEQO-GTPINHCMSA-N	249.442	4.501	0	10	BJAE	
CC1(c2ccccc2)CC(C)(c2ccccc2)C1	1712869	IJDZVMXWFFONIR-UHFFFAOYSA-N	236.358	4.696	0	10	BJAE	
CCc1cccc(N[C@H](C)c2ccccc2C)c1	19998569	BDYXVMCDHGEYSR-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cc(C)ccc1OC	20520025	ZGLPNSOXUXZLKR-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CCC[C@H](N[C@H](CC)C(C)C)c1ccccc1	37300071	BMSYFJSFIOXZLO-CVEARBPZSA-N	233.399	4.552	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)c2ccc(C)o2)c(C)c1	37763592	XRESBPFSLIUVHB-CQSZACIVSA-N	243.350	4.686	0	10	BJAE	
Clc1ccc(NCC2CCCC2)c(Cl)c1	41289946	RCRMWBJMUYJCIB-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
S=c1cc(-c2ccccc2)[nH]c2ccccc12	44605129	JHLFTQAEQCHZLP-UHFFFAOYSA-N	237.327	4.564	0	10	BJAE	
CCc1ccc(CC)c([C@@H](CC(C)(C)C)NC)c1	70440653	OBGMHERMLGDGML-MRXNPFEDSA-N	247.426	4.508	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H](C)c2ccccc2)c1	75233499	LIQOIOMTBVHTIU-AWEZNQCLSA-N	235.330	4.559	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Oc1ccc(C)cc1C	85154980	LYDSSQKDJJDOAX-GDBMZVCRSA-N	232.367	4.651	0	10	BJAE	
c1ccc(-c2ccc(NCCC3CC3)cc2)cc1	88490748	YNVKZGMJAGIKHZ-UHFFFAOYSA-N	237.346	4.566	0	10	BJAE	
CCCN[C@@H](c1ccc(C)o1)C1(CC)CCCC1	94900933	YPQHVPTZLZWYER-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
Cc1cc(C)c2nc(C)c(C(C)C)c(Cl)c2c1	109692590	MUXMMSCVBXHDFL-UHFFFAOYSA-N	247.769	4.937	0	10	BJAE	
CC(C)CCCNCc1ccc(C(C)(C)C)cc1	109921203	RCVBFRXZVVZEPD-UHFFFAOYSA-N	247.426	4.510	0	10	BJAE	
CCCc1ccc([C@H](C)NCC(CC)CC)cc1	124784481	PDIRLXPQBUXVCD-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
CCCc1ccc(-c2cc(Cl)ccc2N)cc1	132076139	CJWWHVMGFWPYDG-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
Cc1cc([C@H](N)C2=CCCCCC2)ccc1Cl	138199177	AGWBQPRHADLYEW-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CCCCC[C@@H](N)c1c(C)ccc2ccccc12	160872682	CHCAEBOHKGJYBP-MRXNPFEDSA-N	241.378	4.728	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1ccccc1C(C)(C)C	162271434	LXTATOZYGVLCHT-BBRMVZONSA-N	247.426	4.810	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)c1ccccc1C(C)C	164021895	WHUFBEHCKUVMNM-YOEHRIQHSA-N	246.394	4.598	0	10	BJAE	
Cc1ccc2[nH]c(CC(C)C)c(C(C)C)c2c1	166054204	UYXKKFSXUPRWSD-UHFFFAOYSA-N	229.367	4.798	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1CCC[C@H](CC)C1	166283698	SGFHYFWCKFKXMG-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
C[C@H](CC(=O)C1CCCCC1)CC(C)(C)C	167734644	NDONVEREGMOZJK-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)C1CCC(C)CC1	167794642	WGICVOTXRAESJK-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCCC[C@H]1CC	168341001	OFPFQISVHTXDEY-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](N)c2ccc(C(C)C)cc2)C1	227457850	HVFCUXYIEXQIBH-XYPHTWIQSA-N	245.410	4.636	0	10	BJAE	
Clc1cc2sccc2c(Cl)c1Cl	231434731	QKNPKVVCGZHHSO-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCCC[C@@H]2C)c1	232229277	QYVBHZXYWVXSPV-WCQYABFASA-N	237.774	4.639	0	10	BJAE	
CC[C@H](NC)c1cc2cc([C@H](C)CC)ccc2o1	232359575	VKNVJALHKBRPNA-RISCZKNCSA-N	245.366	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)c1cc(C)cc(C)c1	251754917	HEVHPPDZKXBTQO-VBNZEHGJSA-N	247.426	4.779	0	10	BJAE	
C[C@H]1[C@H](C)CC[C@@H]2C(C)(C)CCC[C@@]12C	257400590	CVRSZZJUWRLRDE-COMQUAJESA-N	208.389	4.885	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@@H]1CCC[C@H](C)C1	300137167	LCYUNNJQCHKLLB-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@](N)(CCC2CCCCC2)C1	302250037	KJXPEGJKSOIOAA-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCc1ccc2sc(CC)c(Cl)c2c1	306768945	FGGYMAGCCLELDL-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
Clc1cc2ccsc2c(Cl)c1Cl	306955005	PQFPRPFIDPAXSQ-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
CCc1cc2c(Cl)c(Cl)ccc2s1	307268047	KAQIGLLUQWBBKJ-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H]1CCC[C@H](C)C1	310043536	VYJIVSBYJKLCHT-GXTWGEPZSA-N	227.351	4.701	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)CC1(CC)CCC1	310521784	NRYXTNUNPXEGEF-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)c1ccccc1C(C)C	310976462	SGZNJWGSEGFCTO-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@H]1CC1(C)CCCC1	311122779	HLEFXSZXSSMVSO-BBRMVZONSA-N	243.394	4.630	0	10	BJAE	
CC(C)[C@@H](C)n1ccc2c(Cl)cccc21	319561086	FVXVFSCLTOAGQX-SNVBAGLBSA-N	221.731	4.512	0	10	BJAE	
CC(C)[C@H](N[C@H](C)CCC(C)(C)C)C1CCC1	324615788	AGXFIJYHOVWEII-HIFRSBDPSA-N	239.447	4.616	0	10	BJAE	
CN[C@H](CC1CCCCCC1)CC1(C)CCC1	380024187	DZNPCKYOQBGKQT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)c1ccc(CCC)cc1	380640496	SRSRYNCDOCGYOF-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](NCC)c1ccc2sccc2c1	386465368	SYXVJOPKFSXQLM-CQSZACIVSA-N	247.407	4.742	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)[C@@H]1CCCCC1(C)C	393920631	GFZHHAKDRANTDJ-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1cc(C)c(C)cc1C	395248323	XMAPESUTTXICHQ-INIZCTEOSA-N	248.410	4.862	0	10	BJAE	
CCc1cc(CC)c2ccsc2c1SC	396178176	QRCFPAZQMQLSPA-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCOc1csc2c(Cl)c(CC)ccc12	396187014	HUMLTQAHUNDCHK-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CSc1cc(C(F)F)c2sccc2c1C	396414256	ZPSCMCLTRPJANX-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CC[C@H]2C[C@H]2C1	403693345	ZPDXCBUBMBLZLF-VHDGCEQUSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccc3c(c2)CCCC3)C1	404627012	DKRWBLBLMMKKNT-BBRMVZONSA-N	243.394	4.556	0	10	BJAE	
CCCC[C@H](NC)C1CC(C)(C)CC(C)(C)C1	688324202	ZCJFYZZHJKUFNS-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1cccc([C@@H](O)C2CCCCC2)c1	691704470	ZMCALCUGRXJZLV-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1CC2(CCC2)C1	691982015	HQPNYSAQFVNOBB-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@]23CCCC[C@H]2C3)CC1	693548696	OYWOKBFSZVVGHS-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1cc(C)sc1C	696809788	ZCDUPLDRFAEPJF-ZDUSSCGKSA-N	240.412	4.615	0	10	BJAE	
CCc1ccc(NCCC=C(C)C)cc1Cl	697775770	WURJQDAKAOOXES-UHFFFAOYSA-N	237.774	4.671	0	10	BJAE	
CN[C@H](C1=CCCCC1)[C@]1(C)CC[C@@H](C)C1(C)C	699009983	FNRVSGLNZQFBDB-UNEWFSDZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C(C)(CC)CC	701252267	HLLOWNMFDRZVMU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@@](C)(N)c1cc2ccccc2s1	704507568	KFGZFWNZCCFUQP-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CCC[C@](N)(CCC1CCCCC1)C1CCC1	705362146	JHWAEMFZDQGGHM-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@H](C[C@@H](C)[C@@H](N)c1ccccc1)CC(C)(C)C	709100950	APFXGMVNAGLNPT-IIAWOOMASA-N	247.426	4.785	0	10	BJAE	
CC(C)CC[C@](N)(C[C@H](C)C(C)(C)C)C1CC1	710719284	IEDGHZGAPWTTME-BBRMVZONSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)CC[C@@H]2C)c(C)c1	713056584	FPKFSGIOUPMIPH-XJKSGUPXSA-N	245.410	4.930	0	10	BJAE	
C=C/C=C/CCNCC1CCC(C(C)(C)C)CC1	713499096	NIQXGUQKIDJQKF-VOTSOKGWSA-N	249.442	4.561	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3CCCC[C@@H]32)C1	714309529	CAIIMQYAIAIBGP-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
C/C=C/C[C@@H](C)c1ccc(C(C)C)cc1	714528337	VYMSLROOPDSOKH-URWSZGRFSA-N	202.341	4.880	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCCCC2CC2)CC1	716358446	NELBBXUYIMUBLE-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](C[C@H](C)c1ccccc1)NC	721700507	ZTZVPOBRIXSZTE-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CC[C@H]3CCC[C@H]32)cc1	722074578	IYAGQOAPGAPQIE-DJIMGWMZSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@@H]1C[C@H]1CC	723070767	TUUBTOUMOUGTFO-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCCCCCNC(C)(C)C1CCCCC1	1617555328	VHNVDKZCEQBVAS-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCCC1(NCCCC2CCCCC2)CC1	1620654995	WFLIUPSZWHUZRH-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
Cc1ccc(N(C)CCC(C)(C)C2CC2)c(C)c1	1644363822	IMTRYKQZEAZZNB-UHFFFAOYSA-N	245.410	4.566	0	10	BJAE	
CC[C@H](C)N(Cc1ccccc1)[C@H](C)C(C)(C)C	1880409588	QDZXDUOJJJUOKV-LSDHHAIUSA-N	247.426	4.722	0	10	BJAE	
CCCNCCC=C(C)[C@@H]1CCCC[C@H]1CC	1880414580	ODALLTKJLNHZTQ-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
Cc1cscc1NCC[C@@H]1CCC(C)(C)C1	1903370201	OMHSOMFQMMTPEI-LBPRGKRZSA-N	237.412	4.685	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C(CC)(CC)CC	1905374959	SEOLMLODITZULK-KBPBESRZSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@H]1C1CCC1	1910563836	ORDXGUCLXRNGNT-AEGPPILISA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@@H]1CCCCC[C@H]1CNC(C)C	1911939703	XSOHWTMRBCDNIS-SJORKVTESA-N	249.442	4.703	0	10	BJAE	
CCC(CC)CC1(CO)CC2(CCCCC2)C1	1912561185	BKCZKPUDGUHMMA-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
O[C@H]1CCCCCCCC[C@H]1CCCCCF	1913402261	CYYXUYMMMZHKCH-GJZGRUSLSA-N	244.394	4.628	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC(C)C)C=CCCC1	1916579613	PJZQAJDHUVFGTA-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H]1CCCCC1(F)F	1919489973	DHFBDNWDLCWLAK-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1[C@H]2CCCC[C@H]21	1920198068	QGKPYIGRQDQIOK-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
NC[C@]1(CCCCCC2CC2)CCCC12CCC2	1921630501	REOQNWZMKLIMPF-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
C(CCNC1C[C@H]2CCC[C@H](C1)C2)CCC1CC1	1923475156	PPZYVUAQMNCNCK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)NCCC(C)(C)C[C@@H]1C=CCCCC1	1925889715	BYMYPHGMANOXCP-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC(CC)CC)CC1(C)CCC1	1926200490	CHLZVKUYYBOGRU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](O)CC2(C)CCCCC2)C1	1940409574	YHCULKUHMVINPH-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@](C)(O)CC[C@H]1CCCC1(F)F	1940707432	XEWRRVDTPWXKNY-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC[C@](O)(C(C)C)C1CCC(C(C)(C)C)CC1	1941144531	ODFGYLPEVFFQBN-XUJLQICISA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C(C)C)[C@H](CC1(C)CCCCC1)NC	1941267986	ZEONGKFGOWPRQA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@H](CC)C(C)C	1941270972	ABFKCNRIMWVUBJ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1C[C@H]1C1CCCC1	1941428768	CYDPOIAMHXXRMV-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CCCCCC1CC1	1941573316	MPNNRXYKNHAROI-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC)C1(C)CC(C)(C)C1	1941984868	ACPNJSWLPWJVEC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)C[C@@H](C)CC(C)(C)C1	1942659518	RSTCYJLJMJNEQU-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CCNC[C@@]1(CCCC(C)C)CCCC1(C)C	1944476603	ZAYHBUKYTJZDAJ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](Nc1ccc(C2(C)CC2)cc1)C(C)C	1944598237	LCCLUBYVDSUGFI-OAHLLOKOSA-N	231.383	4.585	0	10	BJAE	
COCC1(CC[C@H]2C=CCCC2)CCCCC1	1947568295	BMFIQTNGBOGFIU-HNNXBMFYSA-N	236.399	4.720	0	10	BJAE	
CCCC[C@H](CC[C@H]1CCC[C@H]1C)NCCC	1948424908	HQUZVVGMIYLYJH-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)(C)C(=O)C1	1949656009	KWNGUPPIXMLPGP-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC[C@H](N)CC1CCCCC1	1949907021	JWVOZWZNXYGSEV-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CCCC2(C)CC2)CC1	1950930141	MWDQDBZPTXDYQI-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC1(C(=O)c2cccc3sccc23)CCC1	1951241115	WWBXDOLAHNBGDF-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CC1(CC(C)C)CC1	1966526177	JBRPXAAYCSJKLS-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1cccc(C2(C)CC2)c1	1967831799	DBARFHQBMGHUAO-BBRMVZONSA-N	243.394	4.729	0	10	BJAE	
Cc1ccc(-c2ncc(C(C)C)s2)c(C)c1	1968588048	SKJMYJCGNNJUDX-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
CCN[C@H](CCC(C)C)C(CC)(CC)CC	1978563920	PBNOOXDWIWJZJN-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)C[C@H](N)C1(C)CCCCCCC1	1981416203	MSFACXCEMPZPLP-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](CNc1cc(C)ccc1Cl)C(C)C	1988768717	VKHJHMIXVOQXHD-GFCCVEGCSA-N	239.790	4.743	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC1CC(C)C1	1995213737	GABKCAXLBSDGST-IYXRBSQSSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCC=C(C)C	1995262654	OZAZNKTVIDMDJG-HUUCEWRRSA-N	225.420	4.667	0	10	BJAE	
CC[C@](O)(CC[C@@H]1CC1(C)C)C1CCCCC1	1996551144	AFBPOTWPRCBPBD-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(CCC(C)=C(C)C)C1CCCCC1	1996571736	XXKMFWJAKAHDAG-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@@H]1CCCC(C)(C)C1	2000142886	IQTMTJXNEMMZCR-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)CC2CCCC2)C1	2000174230	QBLNTLUAKRDMHO-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)n1[C@H](C)[C@@H]1CCCC(C)(C)C1	2003025859	AFZMHRJXOFQVGK-HUUCEWRRSA-N	233.399	4.882	0	10	BJAE	
CN[C@@H]1CCCCCC[C@H]1C[C@@H](C)C(C)(C)C	2003099618	MBNHOLQSLKDYHD-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@](C)(N)CC1CCC2(CC1)CC2	2003219324	YDORDABQXPCXKR-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCCC(=O)c1cccc(F)c1	2003665618	IZRDOZYAKBHGPG-UHFFFAOYSA-N	234.314	4.535	0	10	BJAE	
CCC(C)(C)CC1(N)CCC(CC)(CC)CC1	2004336858	KMSMBVZQJCNYND-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC(=O)C[C@H](CC)C1	2006673548	LYROIEFRJIUELN-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
CCCCC1(CNCCC)CCC2(CC2)CC1	2007696703	MSGVWDASCKYUBA-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C/C=C/CCC[C@@H](O)C1CCC(CCC)CC1	2009593804	RMROOVMLBGUBOF-KIPPPTPUSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@@H](CC(C)(C)CC)NCCC	2009627435	JTJAMTVOWVSHPC-PPYMECGQSA-N	239.447	4.927	0	10	BJAE	
CCCNC[C@@](CC)(C(C)C)[C@@H](C)CC(C)C	2012421140	IXJXVJNEBGFMCL-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CCCNC[C@@]1(CCCC(C)C)CCC1(C)C	2014846899	RKYDOEWLJBWSJQ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CNC[C@H](CCC(C(C)C)C(C)C)C(C)(C)C	2015347435	PSTKAERUKDBRQU-AWEZNQCLSA-N	241.463	4.577	0	10	BJAE	
CCCN[C@H](CC[C@H](C)C(C)C)C1CCCC1	2015410452	VKXVRVQWFIWCTF-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@](O)(CC)[C@H]2CC2(C)C)CCC1	2015636633	ZZGHLMPOUMPBLA-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)C1(CC2CC2)CC1)CC(C)(C)C	2015749141	LBNRUFQHFPPGSF-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCc1ccc(N[C@H](C)C2CC=CC2)cc1Cl	2016328758	BHDFWDWJDMSBLK-LLVKDONJSA-N	249.785	4.669	0	10	BJAE	
CCCC1CCC(C[C@H](NC)[C@H](C)CC)CC1	2017724170	MHGRRYDZMNWIFT-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@H](N)C2CCCCC2)CC1	2017735316	UWHXOMCDLRAGPL-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@H]1CCCC[C@@H]1F	2018181486	KOSYOWCEJQBYDJ-KKUMJFAQSA-N	243.410	4.558	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@]12CCCC[C@H]1C2	2018570799	BJVMNCZKTNPVGN-HRCADAONSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)CC1(CC)CC1	2018992257	PAGBEXVBTSFXHC-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)C[C@@H]1CCCC(C)(C)C1	2024101664	MFQRNEHNANHVRZ-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CCC[C@H](C)C1	2026083114	XVQVDQAVBMEQMO-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CC1(C)CCCCC1)[C@@H]1CC12CC2	2027313530	GPYHPWQYDYWOKI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(CC2CCCC2)CC=CC[C@H]1C	2027922423	DYHWJUBDBCAQKV-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C(=O)c1cccc(C2(C)CC2)c1)C(C)C	2028555112	QGRHNCJDABLAHR-HNNXBMFYSA-N	244.378	4.603	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)CC1CCC1	2028897194	JXVVOFXCVYNWOA-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](c1ccccc1CC(C)C)[C@@H](C)CC	2028914982	LHGZLTMTOJNDNP-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@]1(N)CC(C)(C)CC2(CC2)C1	2030282958	ZVHICSYXKLHUKT-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc(C2CCCC2)cc1	2031743036	AZQQXEPDKLPKAQ-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
O=C1[C@H]2CCCC[C@@H]2C[C@H]1CCCCCC1CC1	2034256721	JKZMWUITHDNNOU-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
C1=C[C@@H](C[C@H]2CCOC3(CCCCC3)C2)CCC1	2035552977	AGODVMRVENLHCC-HZPDHXFCSA-N	248.410	4.862	0	10	BJAE	
CCC1CCC([C@@H](C[C@H]2C=CCCC2)NC)CC1	2035600790	MYTZLVSABQFKNF-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2037134768	ZYBLRVSKBQZYSJ-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@@H]1CC=CCC1	2037167210	QTFUZVGGKLWPFV-UXLLHSPISA-N	247.426	4.587	0	10	BJAE	
C1CCCCC(N[C@H]2CCC23CCC3)CCCC1	2037474554	HUIRYRLVODTKIN-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CCCC1(CNCCC2CC3(CCC3)C2)CCC1	2038099394	RVWJWRFVZJKSLP-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(CNC[C@H]2CC23CCCCC3)CCCCC1	2039059352	TUOWVZJDMVEORI-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
Cc1cc(C)cc([C@H](N)[C@H]2CCC[C@H](C)CC2)c1	2039370765	RXNBZRWXGMOWKE-YLQAJVPDSA-N	245.410	4.520	0	10	BJAE	
C[C@H]1CCC[C@@H](CNC2CCC3(CC2)CC3)CC1	2041384217	SLIXZDIBCGIDFT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCN1C[C@H](C)C[C@@H]2CCCC[C@@H]21	2041879564	CSLZIZUAHMCEAJ-PVAVHDDUSA-N	249.442	4.633	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H]1CCCC(C)(C)C1	2043189659	CQSFLGBUSCNYMF-GOEBONIOSA-N	249.442	4.824	0	10	BJAE	
CC(C)C1CC(C(=O)C[C@H]2CCC=CCCC2)C1	2045308188	RXCQHKPEEQXJGS-FHERZECASA-N	248.410	4.764	0	10	BJAE	
CC1(C)CC[C@H](NC2CC3(CCCCCC3)C2)C1	2046230293	PPFODUINUNBPIW-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2(N)CC3(CCCCCC3)C2)C1	2046233604	QARGSHBBHCHBOW-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C[C@H]1CC12CCCCC2)C1CCCC1	2047015473	JBNNZGIZZKWAGS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@H]2CC23CCCC3)CC1	2047024940	XXVPPYPBAKVUMZ-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1[C@@H]2CCCCC[C@@H]12	2048369554	FRORCKIETCXUOO-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	2048435846	GCKZXSVKMCRHAS-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)[C@H]2CCC3(CCCC3)C2)CC1	2049687516	UPYRVHKUSYLLNS-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2[C@H]3CCCCC[C@H]32)CCCC1	2049796309	XQIUTUSGFOXOKI-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC(C)(NCC1CCC2(CC1)CC2)C1CCCC1	2049868073	ZFIGAFXOCXCLSW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@]1(C)C=CCCC1	2049997591	OOHVYKZYXCCOIT-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(CCC2CCCC2)CCCC12CC2	2053355621	IREIKVCJGSKKEV-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H]1C[C@H](C[C@H]2C=CCCC2)C[C@@H](CC)C1	2055035859	WBFFMSOAPXNUEB-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@@H]1C=CCC[C@H]1C)C1CCC(C)(C)CC1	2055574510	VZHGFGBPLBEICA-IJEWVQPXSA-N	249.442	4.536	0	10	BJAE	
CC1CCC([C@H](C)Nc2ccc(CF)cc2)CC1	2055672277	RBQTZBHOBPFJQR-OWYJLGKBSA-N	249.373	4.783	0	10	BJAE	
CC1(C)CCC[C@@H](N2CC[C@@]23CCC(C)(C)C3)C1	2058199539	LGFRIBWSIBPKMS-RHSMWYFYSA-N	249.442	4.610	0	10	BJAE	
CCC[C@@H]1NCC[C@@]12CCCCC21CCCCC1	2058475526	MMDQFGIAXDLEQT-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CCCCCC1CC(N[C@H](C)c2ccccc2)C1	2059393275	CTPXIQJGKNVTIB-HPUBIQBYSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@@H](C)C2CCCCC2)CC1	2061113522	PKLGAXONNKJGRH-VBQJREDUSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cc2c(o1)CCCC2	2061882567	SWSUOZSCXPTRHM-UHFFFAOYSA-N	248.366	4.558	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1C[C@H]2CCC[C@@H]2C1	2063501159	MSMBQXVOEYSUMH-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC12CCC(CC1)CC2	2065275677	VOLYGIRXCBSYBV-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC23CCC(CC2)CC3)C1	2065337979	CWTBBMCMANAGSV-PREGVCBESA-N	249.442	4.645	0	10	BJAE	
CC[C@@](O)(CCC(C)C)c1ccccc1C(C)C	2066000089	OBEWCXXOGSZKKF-QGZVFWFLSA-N	248.410	4.844	0	10	BJAE	
Cc1ccc([C@@H](O)CC(C(C)C)C(C)C)c(C)c1	2068843657	MSSRFPKYLSSFQS-KRWDZBQOSA-N	248.410	4.655	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CCC2)C1(CC)CCC1	2069193815	OXGORQXKHJREGJ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CC1)C1(CC2CCC2)CC1	2069563376	FVISNCJRXAXRNO-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCC1(CC2CCC2)CC1	2069582073	XZSILEWZNFNXBF-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(CC(=O)c2cccc(F)c2)CCC1	2071919546	LAHNMAKSYDHSFS-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)[C@H]2CC23CCC3)CC1	2072796150	MAACDQXNINFHOR-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]3CCCC[C@@H]32)CC1	2072870825	HRUQJHMQHGOZDF-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1OC[C@@]12CCCC[C@H]1C2	2074092178	VMAPGIHSLRTBGT-YOEHRIQHSA-N	244.378	4.769	0	10	BJAE	
CC(C)(C(=O)C[C@@]12CCCC[C@@H]1C2)C1CCCC1	2074094641	MSOFJLFQERCSOC-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
CCC1(C[C@]2(CNC)CCCCC23CCC3)CC1	2074624361	QQICHAXBIPTXLM-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CN([C@H]1CCC2(CCC2)C1)[C@H]1C=CCCCCC1	2074811413	VPVWFMNXFQANQG-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1C[C@@H]1C1CCC1	2079351196	XOSAGRNUOKBLSN-IXVCQNTISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1C[C@@H]1C1CCCCCC1	2079514853	KQBXUHNJCDCSIU-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1NC[C@@]1(C)CC=CCC1	2081954675	IGAAUUOAYHHYLH-INIZCTEOSA-N	247.357	4.546	0	10	BJAE	
CCN[C@H](CC)c1cccc([C@H]2C[C@H]2C(C)C)c1	2082714714	GWQCJUPQGMSPNG-GVDBMIGSSA-N	245.410	4.507	0	10	BJAE	
Cc1cscc1NCCCCCCC1CC1	2210525152	MKPXKKLWIZKRKK-UHFFFAOYSA-N	237.412	4.829	0	10	BJAE	
CCC[C@@](N)(CC)CC1C[C@H]2CCC[C@H](C1)C2	2213296067	GTTFYWTUIHKPDE-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@H](N)CCCCCCC2CC2)C1	2213573853	MIDWLMVKQPOXOG-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@](C)(CCC)CCCCC1CC1	2214571018	VUZNUWJGJGNXFJ-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)CCCCC2CC2)CC1	2214576888	AILUUZWTNIWXCN-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(CCCCC1CC1)C1CCCCC1	2214585716	VGJAGDPMWPYNNW-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC[C@](N)(CC[C@H]1C[C@H]1CC)C1CCCC1	2215258346	XQVXUKDVQGESMP-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CCCCCCCC1CC1)C(C)C	2216864606	UUFKNUKTUAPWHG-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CNC1CCC1)[C@@H](C)CCC(C)C	2217129367	KJPVMMFAENLEOX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](CCCC(C)(C)C)CNC1CCC1	2217139680	PIFMMGJYQCXYIA-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CCCN[C@@H](C)CC)CC1	2217141929	NICHTXWTTADWKH-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CCC12CCC2	2217242660	WZCPUTPHSXQPDL-CQSZACIVSA-N	249.785	4.647	0	10	BJAE	
CN[C@@H](CC=C(C)C)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218357777	IDAKVLJEVBNPEQ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218378517	SHBAPPCXHGIGJS-XUWVNRHRSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC[C@H]1CCC=CCCC1)C1CCCCC1	2220296367	KBBHSQDRYGDXMS-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)[C@]1(C)CC=C(C)CC1	2221627123	UJKNKUJVLDMNPW-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)c2cc(C)ccc2C)CC1	2221644961	VQBJRUHBNUZQTA-QGZVFWFLSA-N	242.362	4.623	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C1CCCCCCC1	2222004857	FKJCJRHELYTEPU-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)c1sccc1C	2244781410	KBNRINJOPMYVTD-CHWSQXEVSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H](CC)CCC	2244801782	MRWRYJKJMHFCTF-ZNMIVQPWSA-N	227.436	4.747	0	10	BJAE	
CCN[C@H](CC1(C)CC(C)C1)C(C)(CC)CC	2246591931	VDWMPBKGPJXZKE-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@](C)(N)CC2CCC2)C1	2246664254	OOEFMMBWNVOCPN-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CCCC[C@@H]1C[C@@H]1C)CCC(C)C	2247125733	AOWULMYNUIPCBA-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC1(C)C)C(C)(C)CC	2247412494	AMWZELAMQFKXFY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(-c2ccc(C(C)(C)C)s2)c1N	2247965408	LFZRBPZMBMPVJL-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
CC1CC(C)(C(=O)CCCCC[C@@H]2C[C@@H]2C)C1	2248856299	IKMQAQBHWXUJCK-IOSBVQAASA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCCCC(F)F)NCC	2250353277	SXVXZVQJBIJUNJ-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C1=CC[C@H](C(C)C)CC1	2250353437	VCAFAWNFCHLOOG-OFQRWUPVSA-N	238.415	4.556	0	10	BJAE	
CNC[C@H](C)[C@H](C)CC[C@@H](C)CCCC(C)C	2250468468	DKCAYDLTBVBIRJ-XHSDSOJGSA-N	241.463	4.721	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@@]1(C)C=CCC1	2250492710	XABQHKAMRSKECW-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC1CC(CCC(=O)CC2CCC=CCC2)C1	2251760176	ZMSKACPOLCRUDL-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
Cc1ccc(F)c(NCC[C@@H]2CCC[C@H](C)C2)c1	2253967185	FEMHICUNKSHEDA-JSGCOSHPSA-N	249.373	4.762	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@@H](C)C1)C1CC=CC1	2254018795	FIJDIBWELXIKFM-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C[C@@H]1CCCC12CC2)CC1(C)CCCC1	2255250718	YWNXHSXKEZYCJS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)C1(C)CC(C)(C)C1)C2	2259570632	UWPRJINLKVFIMZ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(NCC2CC3(CC(C)C3)C2)c1	2259574154	PBTJDQURHYQJCP-UHFFFAOYSA-N	243.394	4.542	0	10	BJAE	
C1CCC(CCCNC[C@]23CCC[C@@H]2CC3)CC1	2260534263	HAOOZWHGMKVMFI-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CC(C)(CN[C@]12CCCC[C@@H]1CC2)C1CCCC1	2260540873	VRDBHUPLIZDMFF-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CC1(CCNC[C@]23CCC[C@H]2CC3)CCCCC1	2260577542	GGXCIEQDUKCGHH-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC[C@@H]2C[C@@H]2C)CC1	2298135318	XRKFAUUEQYRMMN-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H](C)CC2CC2)cc1	2298908638	QZDMSLDOPQGDAA-STQMWFEESA-N	232.367	4.768	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H](C)CC1CC1	2298926394	MEHKBFXNXXIARL-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@@H](CNC(C)C)C(C)(C)C	2300675353	DQLZEVOJPRQQFR-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@@H]1C=CCCC1	2300675619	GVQYKCLMQNDYTN-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCc1cccc([C@H](C)CC)c1O	2300898531	FQGLOOKLJVYWEQ-CYBMUJFWSA-N	232.367	4.805	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCC[C@@H](CC)CC1	2300907556	UMJWJETXRNGTOY-HUUCEWRRSA-N	236.399	4.908	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](O)CC1CCCCCC1	2301135434	KIHUTTYGVKEGFO-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N)c(SCC2CCCCCC2)c1	2301142529	KDCDPTYZBCFAAH-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
C[C@@](CO)(CC1CCCCCC1)C1CCCC1	2301242651	UTWQKRJIHSHEML-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCC[C@@H](CNC1CC1)CC1CCCCCC1	2301245805	ZTFLQKWLNGMMDP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1C1(N)CCCCCCCCC1	2301299424	WQWVNMAVLAQOPA-FICVDOATSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)NC1CCCCCCCC1	2301689216	QRISKKMPKJQQAE-HUUCEWRRSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@@H](C)[C@@H](C)C(C)C	2301961831	OAKNDGMWOMBGID-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
C[C@](O)(CCCC1=CCCCC1)CCC1CC1	2302361873	SDBWNWMJFOEUBF-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1NCc1ccc(C)cc1C	2302887437	MPINABPCWSHRHW-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@H]1CC[C@@H]1C(C)(C)C	2303474992	IZCLGEIPVWUMCF-OLZOCXBDSA-N	238.415	4.700	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303478593	RVBZGNUGZUKILK-MJBXVCDLSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@H]1CCC(C)=C(C)C1	2303576055	RUSLVHNJICJJQH-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CCC(C)=C(C)C1)NC	2303582072	DINDPWBNGASOOM-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CC[C@H]2C[C@@H]2C)CC1	2303602953	ZBGLZWSKBXVVPW-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
CCC1(C(=O)CC[C@H]2CCC(C)(C)C2)CCC1	2304419007	WGWUGFSQSZBXFN-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)CCC2(C)CC2)C1	2304420847	QSXJHLOICOBQPA-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)[C@H]1CCC[C@H](C)C1	2307893730	JINFZVBGLWWAHP-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)C1CCCCCC1	2307894903	SWULQAVHYMEJBC-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@@H]1CC=CCC1	2307900268	AKZNXIRQNFWTOP-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C[C@H]1CCCC12CC2	2307903775	PTSCPEIWDXHBAF-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)[C@@]23CCC[C@@H]2C3)cc1	2308105321	WAVBWOOJEKRDCV-SRCQZFHVSA-N	242.362	4.573	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCC[C@@H]3CC[C@@H]32)CC1	2311022767	PTIHNAJTWOESTM-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@](N)(CC1=CCCCC1)C2	2312826048	LVIIXPQYDIDCNX-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
CN[C@H]([C@H](C)CC1CCC1)[C@@]1(C)CC=C(C)CC1	2313693889	BCWNTEUDJVXXKB-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@@](C)(N)c1ccccc1C1CC1	2315956448	NJAAZAPAKXKHFE-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)CC)CCCC12CC2	2316490812	MHQJHEHLMPWCAY-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)CC)CCC12CCC2	2316492663	UKFFVLDAUDPILT-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2316501967	IUILPUYUEJDTAP-ARFHVFGLSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316881546	QVTUAOOOBKKKIC-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)[C@@]12CC[C@H]1C2	2317009105	HXBBUJBBTOCMJA-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@](O)(c1ccc(C)cc1)[C@H](C)[C@@H](C)C(C)C	2317858276	IDJPLFVWNLRQKF-ZMSDIMECSA-N	248.410	4.521	0	10	BJAE	
C1=C(CCCNCCC2=CCCCC2)CCCC1	2318576574	QLJLCGXUBUFXAY-UHFFFAOYSA-N	247.426	4.747	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)[C@H]1C[C@@H]1CC	2318592835	NAZWXLJOONVFAP-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CN(CCCC1=CCCCC1)c1ccccc1F	2318594698	IOJKKQYZNASMGE-UHFFFAOYSA-N	247.357	4.543	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1NCCCC1=CCCCC1	2320143010	GNKDLOKYNQGLAG-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1N[C@H]1CCC2(CCCC2)C1	2320174288	DPTWJKPOLZRBBX-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCC(C)=C(C)C2)CC1	2320238051	QLQVHSFKTOQHTP-OFLPRAFFSA-N	249.442	4.824	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@H]2CCCC[C@@H]2C)CC1	2320333741	JMJLDIJMANRENN-SVGFKBNWSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H]1C[C@@H](C)c2ccccc2N1	2320455533	HPMZJDAGUGBFSM-TUVASFSCSA-N	243.394	4.801	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@@H]2CCC[C@H]2C)c1	2320514798	INCYFEXTQZOPPA-UKPHBRMFSA-N	245.410	4.636	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCCC[C@@H]2CC)c1	2321083748	BVPULTGYIIBKMF-BBRMVZONSA-N	249.373	4.769	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@H]2CCC2(C)C)c1	2327673209	MZNHBHURAVOASC-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1ccc2occc2c1	2328197462	UIACXNZRYQUFHG-IUODEOHRSA-N	246.350	4.683	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cccc(C(F)(F)F)c1	19232658	FEBKFBZRSABTKQ-NXEZZACHSA-N	245.288	4.552	0	10	BJAE	
Cc1ccc(C)c([C@H](C)Nc2ccccc2C)c1	20567176	FPFAMRRGQBHVHJ-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
Cc1ccccc1NC(CC(C)C)CC(C)C	21515878	QELOEPZNJYTALF-UHFFFAOYSA-N	233.399	4.868	0	10	BJAE	
CCCc1ccc([C@@H](C)NC2CCCCC2)cc1	21788098	KGICDMRTXAQMJA-CQSZACIVSA-N	245.410	4.622	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccccc1	21816377	GQAZPNXXWATWII-BMFZPTHFSA-N	231.383	4.559	0	10	BJAE	
CCCC(CCC)Nc1cccc2cccnc12	22147782	ADTDTKRXYAODOS-UHFFFAOYSA-N	242.366	4.616	0	10	BJAE	
CC(C)=CCCCCCOc1ccccc1	44138556	PZLNYRYNERLJQH-UHFFFAOYSA-N	218.340	4.592	0	10	BJAE	
CC[C@H](C)c1ccc(-c2csc(C)n2)cc1	57519794	UZUKTSOYRADKIX-JTQLQIEISA-N	231.364	4.632	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CCC)CNC(C)C	71127751	UIOATAXSGXTVID-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
Cc1c(Cl)cccc1[C@H](C)c1ccccc1	75841822	NCKLRZFZIYGBFA-LLVKDONJSA-N	230.738	4.800	0	10	BJAE	
CCCCCCN[C@@H]1CCCC(C)(C)CC1	83435172	MVXZDVJHERIGNB-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCC[C@H](CC)CC1	83435731	HERSPXUQKAJLBC-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H]1N[C@@H](c1ccccc1)C(C)(C)C	86673131	SLNSMEWFJDLVEY-BMFZPTHFSA-N	245.410	4.552	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@H](C)CC1)c1ccccc1	86889789	KDTPENPMQAEEIJ-XIRDDKMYSA-N	245.410	4.696	0	10	BJAE	
CCCCCCC1(O)CCC(C(C)(C)C)CC1	87163978	JFESFPVIDQKCSX-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](CC(C)C)NC	87522082	XGOFSDLCVGZSFM-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC1([C@@H](N)c2ccc(C(C)C)cc2)CCCC1	94900743	OVEXYBOZCKCFNT-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CCCCCC1(CO)CCC(C(C)(C)C)CC1	97149620	PRDABTLAQBZLGB-UHFFFAOYSA-N	240.431	4.782	0	10	BJAE	
C/C=C\C[C@@H](C)c1cccc(Br)c1	107494787	BMTRADOWNADJNR-UMBAGQNISA-N	239.156	4.519	0	10	BJAE	
CC(C)c1ccc2nc(C3CC3)cc(Cl)c2c1	109692815	OSFSMCKTHHQMJZ-UHFFFAOYSA-N	245.753	4.889	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1cccc(CC(C)C)c1	131744145	NSSBQZQYZAGPPR-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCC(C)(C)C[C@H]1C	155829320	UJORLORRFSADAS-DOMZBBRYSA-N	249.373	4.761	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCC(C)(C)C[C@@H]2C)c1	155832816	FEQZGOPOGHYHJC-GJZGRUSLSA-N	245.410	4.930	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1(CC(C)C)CCCC1	165062333	MUAPBTVATCKPBK-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCC1CCCC1	165796802	QZARAAIVADQLHJ-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1ccc(C)c(C)c1	165800362	XBRFPSGWSVDZDD-ZBFHGGJFSA-N	244.378	4.703	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccc(CC(C)C)cc1	167657258	KQIJLGKJCTWQHN-KRWDZBQOSA-N	248.410	4.745	0	10	BJAE	
CC1(C)CCC(C(=O)C2CCCCCC2)CC1	167691615	IHZAPLKKXASSBC-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
c1ccc(-c2csc3cccc-3c2)cc1	196143781	AOSFOGIVHJAHEA-UHFFFAOYSA-N	210.301	4.520	0	10	BJAE	
CC[C@@H](C)c1cc(Cl)ccc1Cl	221975264	YKZMXFJAMOTCOC-SSDOTTSWSA-N	203.112	4.507	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H]2CCC[C@H]2C)cc1	226524711	SFAHHGYOOOBHHC-CJNGLKHVSA-N	244.378	4.648	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NCCC2=CCCC2)CC1	228573843	IJMXHSOKOBQYHE-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CCC[C@@H](C(C)C)C1	230986649	NAACOWJIAUJYTC-ARFHVFGLSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CN[C@H]1CCC12CCCCC2	299960521	YUVITKWGLWSRJY-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CCCC(C)(C)C)C1	300914067	SJMNHVDZRGZTDO-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CC(N[C@H](C)CCC(C)(C)C)C[C@H](C)C1	302456840	DHYACXKZLCHDKS-MGPQQGTHSA-N	239.447	4.616	0	10	BJAE	
C[C@H](CC(=O)CCC1CCCC1)CC(C)(C)C	304200113	YYVKWRIRYYQKPP-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CCC1CCCC1)CNC(C)(C)C	305911135	FOMHERIAGLBPQC-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@](C)(CNCC(C)C)C[C@H](C)CC(C)C	309994248	OJKHXGMYOJLTIX-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CCC[C@H](NC1(CC)CCC1)c1ccsc1	310005000	GERUMFMXSGMZJW-ZDUSSCGKSA-N	237.412	4.512	0	10	BJAE	
CCC1CCC(C(C)(C)CNC(C)(C)C)CC1	318310614	OFUWXSUUZMFZHA-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C)CC(C)(C)CC/C=C\c1ccccc1	323923674	OMDARNHJSWTVSK-PINLSGDHSA-N	245.410	4.504	0	10	BJAE	
CCCNC[C@@H](CCC)CC1CCC(C)CC1	379901378	HQQPRLBNZGJWOL-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CN)CCCC[C@@H]1C	384730144	BAAUYCRREUKBDN-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
CC(C)NC[C@@H]1CCC[C@@H]1CCC1=CCCCC1	385004073	WEOVUMPORWLABS-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCCC1CCC([C@@H](N)c2cocc2C)CC1	385569096	ZMPRADBEDUPLFE-ZBCRRDGASA-N	249.398	4.584	0	10	BJAE	
CC1CCC([C@@H](N)c2ccccc2C(C)C)CC1	385714410	LPXDDMWRSYLKDA-MQBCKMQZSA-N	245.410	4.636	0	10	BJAE	
CCC1(NCCCCCC(C)C)CCCCC1	389571711	BVAQULKACDHETA-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CNc1ccsc1Cl	394824474	JKGMPTAIYNICCI-ZJUUUORDSA-N	243.803	4.640	0	10	BJAE	
CCC(CC)(CC)CCCCNCC(C)C	395129366	QGXOXFRVJBAKKT-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC[C@@](O)(c1cccc(CC(C)C)c1)C(C)(C)C	395465886	LMIVHYHPUFSTIG-QGZVFWFLSA-N	248.410	4.529	0	10	BJAE	
CCOc1sc2cccc(CC)c2c1Cl	396184278	BIOWRPXOFXMTKJ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1cc(Cl)c(CC)c2ccsc12	396184765	CCRDRQJYIKSMDO-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCC[C@@H](Nc1ccccc1C)[C@H]1CC1(C)C	397606829	HJUHSMGFLDSPMC-UKRRQHHQSA-N	231.383	4.622	0	10	BJAE	
CCC[C@H](Nc1cc(C)cc(F)c1)[C@@H]1CC1(C)C	397771910	MZMYNXANSDLOMN-GJZGRUSLSA-N	249.373	4.761	0	10	BJAE	
Cc1scc(C(=O)CC2CCCCC2)c1C	399908386	DVYZDJORVLZWSW-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCCCC[C@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NC	402357283	WPBLVYDCOPVLFP-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H](CC)CC(F)F	688729283	HWWGJMZURPDHIK-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCCC(F)F)NCC	689059677	VRLCHKDCSCSBJT-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NC(C)(C)CC(C)(C)C	691096453	AJFKXZKOCSHSQQ-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)CC2CCCC2)c1	691708693	AKHMVUNDAOGPIL-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H](C)[C@@H](C)CC	696184970	FBPRICLTDGWDFA-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CCC(C)(C)CC)C1	696801327	FLQSEZCQYHQIGE-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC(C)(C)C(C)(F)F	697098565	VTQICVPVOGKYQG-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
CCN[C@H](CCCCC=C(C)C)C(C)(C)C	697766040	BKXMVDITDOXNGU-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H]1C[C@H]2CC[C@H]1C2	697771167	IIVCULOTYVZEHI-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC1CCCCC1	707609524	VSZMIXYXKKOMCJ-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCC(C)(C)C1	709194956	AABNCTJAPWUTDM-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CC(=O)C12CCC(CC1)CC2)C(C)(C)C	710119690	XZRACOVIKJERIT-FUJMWEONSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C12CCC(CC1)CC2	710262594	LMIHIMGSRIEVMW-NMSBFTQNSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)C(=O)c1cscc1Cl	710431002	FLCJKMSVOYSPFP-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
CC[C@@H](C[C@@H](N)C(C)(CC)CC)C(C)(C)C	711069927	MFXKZXKXBSECLU-QWHCGFSZSA-N	227.436	4.602	0	10	BJAE	
CCC1([C@H](C[C@@H](C)C(C)(C)C)NC)CCCC1	711148759	HIKJNUWZZQXESZ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@@H]1CC=CCC1)C(C)(C)C	711208973	AKSFHQZJMMPPNG-RBSFLKMASA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@H](CNC(C)(C)C)CC(C)(C)C(C)C	713223219	SLLIVJWWMOQXPT-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCCNC[C@@]1(CC(C)(C)C)CCC[C@H](C)C1	713298878	QRZQPBHRKOJELZ-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NCC2CC=CC2)CC1	717342839	RBZCHIWSAWFIPS-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H](NC)c1cscc1C(F)F	720225902	DFEQCPUAXLXGQW-NSHDSACASA-N	247.354	4.527	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H](C)C1CCCCC1	721698050	NMIRTZWKIQELAZ-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H]3CCC[C@H]32)cc1C	722082089	UXYSIMOZMNCBHC-DJIMGWMZSA-N	243.394	4.548	0	10	BJAE	
C[C@@H](CN(C)C[C@H](C)C(C)(C)C)CC(C)(C)C	1460746312	WXGOKAGXNQETGX-KGLIPLIRSA-N	241.463	4.673	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1cc(C)cc(C)c1	1661019565	ZWLCGUSWVSVUFC-NVXWUHKLSA-N	243.394	4.708	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@@H]2CCC3(CC3)C2)C1	1876380363	PFIPIKFHUITEBR-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](CC)CC=CCCNC(C)(C)C	1905364180	BBOIMIKKBBDIMZ-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H](C)C1CCCC1	1905443963	JWBAHZFSBCYJNJ-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccc(CC)s1	1905455753	FSICFLULWUBXNK-LLVKDONJSA-N	238.396	4.710	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@@H]1CCCCC1(C)C	1908591462	IWQOHSZUYOADRY-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)c1ccc(C)s1	1912003892	UTVAFWMAHYCKEE-CQSZACIVSA-N	249.423	4.620	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1919969639	KVVWULOZJUOQLB-FXUDXRNXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@](O)(CC[C@@H]1CC1(C)C)c1ccccc1	1921547523	YJMAUCRVCYWPDS-WBVHZDCISA-N	246.394	4.501	0	10	BJAE	
Cc1cc(F)cc(C(=O)[C@@H](C)C2CCCCC2)c1	1924099023	PPZWNUHTLXVDKP-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CC=CCC1)C1CCCCC1	1924136269	RCZVHFSPMHTUDS-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
Cc1cnc([C@H]2CCCC(C)(C)CC2)s1	1935225051	DAHAAHIARGEGME-NSHDSACASA-N	223.385	4.525	0	10	BJAE	
Cc1ccc(Cl)cc1OCCCC1(C)CC1	1935934167	BUZJJOGHTWSJCZ-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCCCCCC(=O)CCCCCC1CC1	1936416628	DPHZEAGQOOWMFW-UHFFFAOYSA-N	224.388	4.886	0	10	BJAE	
CC1CCC(CN)(CC2(C)CCCCC2)CC1	1940402012	WDEYKOGXZJIEMY-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC1(C)CCCCC1	1940402380	BKJZJVUDTSLFJK-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)CC1(C)CCCCC1	1940416034	PLZJVGWZZAKNII-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](N)(CCC2CCC2)C1	1941471680	GAGBJGMIOQVDLA-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)cc(NCCCCCC2CC2)c1	1941576556	JRBGEIGALRIJMM-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CC1(C(=O)CCCCCC2CC2)CCCCC1	1941587046	OUOMIZUMCNMQIQ-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
C[C@H](CCC1CCC=CCC1)CNC(C)(C)C	1941792519	GRXMVPZNGLAABV-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC1CCC=CCC1	1941796161	YJJUPGQMBBNQKE-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCc1ccc(NC2C[C@H]3CC[C@@H]3C2)cc1Cl	1941957026	HFGFFHJKPJXQMZ-VXGBXAGGSA-N	249.785	4.503	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@](C)(O)CC(C)(C)C)C1	1944197796	CQSUGMQFHNWQHB-NHIYQJMISA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@@H]1CCC[C@H]1C	1944835668	DORBBOOKNFEQAI-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](N)(c1cccc2sccc12)C(C)(C)C	1945962371	SPSWDCQZNZHLBW-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CCC[C@H]1CCC	1947460644	HAHKBFIAFOBWEC-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CCCCC12CCC2	1947879523	CEXAWEIETPQYAL-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCC(F)(F)CC[C@](C)(CC)CNC(C)(C)C	1947888017	DMQOEYGYUNILPB-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
c1cc2cc(NCC3CC4(CC4)C3)ccc2s1	1948661187	MBOWHOPGHBMTCY-UHFFFAOYSA-N	243.375	4.503	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](NC2CCC3(CCC3)CC2)C1	1965978237	FANLWKPHADSTRI-GDBMZVCRSA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1[C@H](C)NCCCCCC1CC1	1966175837	ISONNQFODVCFKE-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CC[C@H]3CC[C@H]2C3)CC1	1967761428	CDDSJRXDSTZGGZ-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CCCC2)C1)C1CCCC1	1967857147	YHAAFPRLPDFDCO-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(NCC2CC3(C2)CC(C)(C)C3)cc1	1968259504	ISHYFTRBKNHVOH-UHFFFAOYSA-N	243.394	4.623	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CC[C@@H]1CC(C)C	1968309925	OVILZFLFEDNQHB-ARFHVFGLSA-N	239.447	4.616	0	10	BJAE	
C[C@H](CNC1(C2CCCC2)CC1)C1CCCCC1	1970495872	FOZHOMMCPVDWSI-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCCCN1CC(C(C)C)C(C)C	1970607104	SHOTZGUBPPPCAC-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	1970676869	ASCUWUKWUMVMLA-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)CC(C)=CCl	1978656410	VGLZTBHMWSRPAV-AWEZNQCLSA-N	245.838	4.571	0	10	BJAE	
CCCCCN(C(C)C)C1CCCCCC1	1978898115	KZDCFMMOCZLQCF-UHFFFAOYSA-N	225.420	4.610	0	10	BJAE	
C/C=C/CCCc1cc2cc(Cl)ccc2o1	1984604693	AXNJLTLKRQXFJW-NSCUHMNNSA-N	234.726	4.985	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CCCCCC(C)C	1989273065	XMIRZLYEGMQEMS-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](CC)C(C)=O)CC1	1989836074	AKBPPFVYCLSSGC-RBSFLKMASA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)c1ccsc1	1990099154	TZHHSWOSBFVZNZ-GXTWGEPZSA-N	239.428	4.758	0	10	BJAE	
CCC[C@H](NC)[C@H](CC)C1CCC(C)(C)CC1	1996593777	HXLBXCQIDLHXJV-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)[C@H]1CCC(C)(C)C1	1996611713	DUDKVSAXHARIHY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H](C)[C@H](C)CC)CC1	1997105455	MTNKFGJAOZHZCR-BARDWOONSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](O)C(C)(C)C(C)(C)C)C1	2000025512	VTTCFXUMABIUKF-QWHCGFSZSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](C(C)(C)CC)C1(C)CCCCCC1	2000375391	BOFIIINVAMRQQD-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CCCC1CC1)CNC1CC1	2000513426	JDCVRKQEONOXQF-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(C2CC(CC)C2)CC1	2002344011	NIAHVMKAAXLVMS-BHDPWAOGSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CCC2CCCC2)C1	2003012580	APVQYKFNATYONA-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1CCCCCCC[C@H]1CC(C)(C)C	2003110047	AKUBQIZXJKUSTP-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CCC[C@@H](O)c1cccc(C)c1	2003629230	XLADJFZDXIBOHZ-MRXNPFEDSA-N	232.367	4.555	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1CC(C)(C)C1	2004229127	FSOSMAUOPCGHQI-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](C)NC1CCC(C)(CC)CC1	2004342601	UKQNBDLMXSNVAM-FHERZECASA-N	239.447	4.904	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@@H]1CCC[C@@H]1C	2006752939	ZTVFXLMOEVGNCO-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCc1ccc(F)c(C(F)(F)F)c1	2009591254	VOGVDCRLEFORSA-UHFFFAOYSA-N	246.247	4.743	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)C1=CCC(C)(C)CC1	2010714756	JFQDZAOJGIFVAI-TZMCWYRMSA-N	238.415	4.556	0	10	BJAE	
CC(C)=C(C)CCC(=O)C(F)(F)C1CCCC1	2012956336	CUIJQLKCPPDADA-UHFFFAOYSA-N	244.325	4.518	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC(C(C)C)C(C)C	2015396290	CXGFMKWBJXARSV-ZBFHGGJFSA-N	241.463	4.848	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@H](C)C(C)C	2015400850	REWDOLZPFOAQKO-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC(C)C1(CN(C)[C@@H](C)CC(C)(C)C)CCC1	2017125383	MHTDSLUHFUVZQC-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)CCCC2CC2)CC1	2017658302	LPWCETICEWDBQL-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CC[C@H](C)C2)CC1	2017720125	FOGJRXOCIFASKX-SLTXQBBLSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@@](N)(CC)C(C)C)CC1	2017720839	IHAXANZFDCVCHR-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](C[C@H]2CC[C@H](C)CC2)CC1	2017776481	PJPRDVPKCWNORJ-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@@H]2CCC[C@@H]21	2018128638	CKXWZILPHTXBNH-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCC1(C[C@H](O)C2(CC(C)C)CCCC2)CC1	2018964734	KKKCIMLFKKKEOW-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@@H]1C[C@H](C)CC(C)(C)C1	2019386483	QJYOFUMHJVYWNQ-ZQDZILKHSA-N	239.447	4.568	0	10	BJAE	
Cc1cccc(F)c1C(=O)CCCC(C)(C)C	2019979446	UWUOGOFEWVOJCI-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCCN[C@H]1[C@@H](CC(C)(C)C)CCCC1(C)C	2020352181	QDSIXNVRCYKHLA-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1C[C@@H]1C1CCC1	2022311706	DPUBTOVJZRRVSL-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](C[C@H]1C[C@H]1C(C)(C)C)NCC	2022489732	MYERBUKJGZZAAT-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(F)(F)CCCCC(=O)CC(C)(C)C1CC1	2023353325	MHNLILRYYDEXQU-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@@H](CSc2ccccc2N)C1	2024103359	ZHWCHJDSQXEVKP-GFCCVEGCSA-N	249.423	4.577	0	10	BJAE	
CC=C(CC)[C@H](CC[C@@H](C)CCCC)NCC	2026075225	TXEODWKSAJFXHS-HOCLYGCPSA-N	239.447	4.927	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CCC[C@H]1CC1(C)C	2027844430	ZPBKWPSTDWFYJZ-LSDHHAIUSA-N	246.394	4.553	0	10	BJAE	
CCCc1ccccc1COc1ccc(C)cc1	2027913566	OVSWAUHKTPGHKT-UHFFFAOYSA-N	240.346	4.527	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)c1cc(C)c(C)cc1C	2028251696	IQLYLSVPNVFPQY-NVXWUHKLSA-N	247.426	4.684	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1cccc(CC(C)C)c1	2028264042	NWHKNDWTABXPQA-IRXDYDNUSA-N	247.426	4.567	0	10	BJAE	
CC(C)NC[C@]1(CC2CCC=CCC2)CC1(C)C	2028875362	IAFOGKHGNQSITL-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(CC2=CCCC2)CCCC1(C)C	2032104999	HHBNVTYHGCKHFX-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@H]2CCC(C)(C)C2)c1	2033391322	ZKDYGPILVIJMSV-HOTGVXAUSA-N	245.410	4.636	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](NC[C@H]2C=CCCC2)C1	2035567185	VMXXNQWPEPZNBX-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)C1=CCCCCCC1	2037074648	VSFXYIDQTFLLLT-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
C[C@@H](C[C@@]1(N)C=CCCC1(C)C)C1CCCCC1	2037873161	ZNBWDWASMWTUNV-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CC(C)(CCC[C@](C)(O)c1ccccc1)C1CC1	2038170274	CVVHLJKHTPFSTF-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CC12CCCCC2	2039000631	UERSDCOPKALUKZ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H]2CC23CCCCC3)c1	2039057687	HDFYUKSPJDCESZ-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
C[C@H](NCCC1CC=CC1)C1CCC(C)(C)CC1	2040632873	JQFZBLKNMJAXRD-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC1CC(C[C@@]2(N)CCCC3(CCCCC3)C2)C1	2040762206	AAULSOVZWSJMBM-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](c1ccoc1)[C@@H]1CCC[C@H](CC)CC1	2041380903	WKZLABYSVUPNHI-LZWOXQAQSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C)c([C@@H]2CC2(C)C)c1	2043819659	AKIPGALREFZMCE-BBRMVZONSA-N	245.410	4.569	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2CCC=CCCC2)CCCC1	2045316288	CJBJDWXGQRMEDY-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC(C)CCCC(=O)Cc1ccc(C(C)C)cc1	2045564315	ASNCESGHYUSTDB-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
C=CC=CCCC(=O)c1ccc(CC(C)C)cc1	2045585700	WMKTXVCNXMBWKO-UHFFFAOYSA-N	242.362	4.590	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@H]1C[C@H]2C[C@H]2C1	2045886143	XWGRFFFZBFIKCH-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](N)([C@@H]2[C@H]3CCCCC[C@H]32)CC1	2049211831	NLMFNKXNYVHHFT-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
NCC1(C2[C@@H]3CCCCC[C@@H]23)CCCCCCC1	2049212685	UOZLNLPMWDREAV-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
NC1([C@H]2[C@H]3CCCC[C@H]32)CCCCCCCCC1	2049213457	BBDMXAPOKHFFLG-MUJYYYPQSA-N	249.442	4.645	0	10	BJAE	
CN(CC1CC2(CC2)C1)C1CCCCCCCC1	2049782570	KGOLHHZNAKBYMA-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC2(CC2)C1)C1(C)CCC1	2049853716	KPUJWFYKAUJUJI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)C[C@@H]1CCCC2(CC2)C1	2049859052	SIPDAQIRDALPDA-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](N)CCC2CCC(C)CC2)cc1	2050428430	FKWZQYDOOYHXNN-PGEKIEPBSA-N	245.410	4.601	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1ccccc1C(C)(C)C	2051404069	BGEYCOHAAJWXJA-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1C(C)=CCC[C@H]1C	2051405571	DXEDNCSKFKMHDI-BRWVUGGUSA-N	249.442	4.703	0	10	BJAE	
C[C@@H](NC[C@@H]1CCCCC12CC2)C1CCCCC1	2053434996	ZFSPQXRKDCMRON-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N)(CC2CC(C3CCC3)C2)CC1	2056639052	CMVJIUVUZLSMCQ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCC[C@H](NCC)c1ccc(F)cc1	2059247561	RXBLAGHKFKKYCM-WMHVBEDNSA-N	249.373	4.613	0	10	BJAE	
CCCC1([C@@H](NCC)C2=CC[C@H](C)CC2)CCC1	2060926564	RXDYXRJSAQGUPS-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)C1(C(C)C)CC1	2061145341	YDZBPFUULUBBNQ-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@@H](NC)C1CCC(CCCC)CC1	2061560834	KPGGKOQRIOEWSK-OFLPRAFFSA-N	249.442	4.692	0	10	BJAE	
C=C=CCC[C@H](NCCC)C1CCC(C)(C)CC1	2061566942	SMHSGBJTPAJVQB-INIZCTEOSA-N	249.442	4.692	0	10	BJAE	
N[C@@H]1CCCCCC[C@@H]1CC1CC(=C2CCC2)C1	2061738631	FHAMQGRLXHRGRE-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@]1(N)CCCCCC12CC2	2062019344	IKIYFFUOCKKYIK-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(OCC2C[C@H]3CCC[C@@H]3C2)cc1C	2063532537	WLWKNMUUQOVCNH-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
CCCN[C@@H](CC12CCC(CC1)C2)C1(CC)CC1	2065313983	ZAMMZCVDDLPZRX-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](O)c1ccc(C(C)(C)C)cc1	2068845213	RYKJIPXHQSMRRU-XJKSGUPXSA-N	248.410	4.700	0	10	BJAE	
CC(C)(C)NCC1(C[C@@H]2CC23CCC3)CCCC1	2069171781	OUTGKVWBLLPBBC-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(-c2cc(N)ccc2C(C)(C)C)cc1	2069391951	XMTWYZQRHVCSAE-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)C2(C(C)(C)C)CCC2)CC1	2071939266	YEACIPZNPPNMSB-HIFRSBDPSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CNC3(CCCC3)C2)CCC1	2071945156	DCCWSFSQVLRKHR-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@]12CCC[C@H]1C2	2074645812	GFCZZXQNJIBZNV-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
C1=C[C@H](N2CCC3(CCCCC3)CC2)CCCC1	2075402396	XBBODOMVEVFPIO-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CN(CC1(C(C)(C)C)CCC1)[C@@H]1C=CCCCC1	2075407548	JHHFTAZIJQIDMI-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CC(C)(C(=O)c1ccccc1F)C1CCCCC1	2075891283	CIYSASHMGKLFGD-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CN([C@H]1CCC2(CCCC2)C1)[C@@H]1CCCC1(C)C	2077359690	GNBBIDHWUPHJNF-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CCC1([C@H](N)C[C@H]2C[C@@H]2C2CCCCC2)CCC1	2079709205	DTZWMRJHILLPCB-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1COc1ccc(C(C)(C)C)cc1	2079808006	CVQLZEQYMZJZHJ-KGLIPLIRSA-N	246.394	4.799	0	10	BJAE	
C[C@H](C[C@]1(N)CCC[C@@H]2CCCC[C@H]21)C1CCC1	2081118086	JFNGGVGGPSERSR-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](N)CC1CC2(C1)CC1(CCC1)C2	2083616132	VJEVHGYXECAFIT-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CCCCCC(=O)c1cccc2c1CC(C)(C)C2	2084032430	TZQAUDRMQKOZNR-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC[C@@H](N[C@H]1C[C@H]2CCC[C@H]1C2)C1CCCCC1	2086156849	KHZYBOGPTRSVDO-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
c1ccc2c(NCC3CC(=C4CC4)C3)cccc2c1	2125725101	MZBVAMDBBSWPCN-UHFFFAOYSA-N	249.357	4.752	0	10	BJAE	
CC[C@@H](CCCCCCCCC1CC1)NC	2212441815	DZGRFPATQSATLM-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@](N)(CC)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213296068	GTTFYWTUIHKPDE-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCNCC1(CCCCC2CC2)CCCCC1	2214579462	KDZZBSKQYIBGFU-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@@H]1CC[C@H]1C	2214958514	FFYQDMWCLUTVOC-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1=CC[C@](C)([C@@H](O)C[C@H](C)C(C)(C)C)CC1	2215815507	URUYTLIHBXSVSJ-DZKIICNBSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)C(C)(C)CCC	2216286146	RRDPTYYMEVXZDO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@](C)(N)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216746128	BVCFHEABIKCYQI-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CC(C)(C)C)CC=CCC1	2217124244	FSTLKYSRKCNZTK-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CCC[C@H]2CC[C@@H]21	2218718981	UAXKNRHCOADKAO-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)CCC12CCCC2	2218723081	AXAXFTNZSSCDKP-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2220642268	IVHULRWNAJIALD-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(C(=O)C2(C)CC3(CCC3)C2)C[C@@H](C)C1	2221000479	DTLJRGIIDNZDTM-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1(C)CC2(CCC2)C1)c1cccc(N)c1	2221036590	TWJBMFPQZRWNOV-ZDUSSCGKSA-N	243.394	4.733	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2221643121	MBOPMTCPLLXIFZ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C=C=CCCc1cc(Cl)c(Cl)cc1C	2241618122	WEBHKKZNARRFOP-UHFFFAOYSA-N	227.134	4.576	0	10	BJAE	
CCC[C@H](O)CCCC[C@@H]1CCC[C@H](C)C1	2242772638	KVUHUCWSLNFQSV-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCCNCCC=CCC[C@H]1CCC[C@H](C)C1	2246688393	UJRULRUJPURULF-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1CCC12CCC2	2247309183	UOBGDIOHSVSORO-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](NCC1=CCCCC1)c1cccs1	2247489093	BEMAPFCUBSGWFL-AWEZNQCLSA-N	249.423	4.679	0	10	BJAE	
Clc1cccc2c1ccn2CC1=CCCCC1	2247517229	YAFOGUKFYMWVTP-UHFFFAOYSA-N	245.753	4.795	0	10	BJAE	
Cc1sc(C)c(C(=O)CC2=CCCCC2)c1C	2248271558	XPFOZMUJJLVHHN-UHFFFAOYSA-N	248.391	4.747	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H](CC)CCC	2250354652	FNOBKPQZIJHIBP-ZZQZRYSSSA-N	239.447	4.927	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)[C@H]1CCC2(CCCC2)C1	2250355394	AVRKSBLHJCOIID-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1C[C@H](CC(C)(C)C)C1	2250386789	XOXXIZRBCZYYGG-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC[C@@H](N)C(C)C	2250484983	IWXHBIWSEUOSRT-JKSUJKDBSA-N	241.463	4.993	0	10	BJAE	
CC[C@@H]1CC[C@@H](CC[C@@H]2CCCCC23CC3)CN1	2253885570	CTXZNIIBLYTVGZ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(CN)CC23CCCC3)C1	2253939670	UWAJFROOWHPLHU-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNc1ccccc1C1CC1	2254513208	RXHDVKXRIXSWEM-HIFRSBDPSA-N	243.394	4.802	0	10	BJAE	
Cc1ccc(F)c(C(=O)CCCC[C@@H]2C[C@@H]2C)c1	2254611649	RUHYKKCNLBVLBA-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
CC1CCC([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)CC1	2260608506	CNEFLIIRSRKGCN-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC=C[C@H]1N[C@H]1CC(C)(C)CCC1(C)C	2261395848	RXBKNOHEVYLPQJ-KFWWJZLASA-N	249.442	4.536	0	10	BJAE	
CC1(C)CCC[C@H](N2CCCCCC2(C)C)C1	2298875913	LQIPJGUEKPANOR-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
CCC(CC)CC[C@H](CN[C@H](C)CC)C1CC1	2300687773	GEZSHQVQAZTBAG-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@@H]1NCC=C(C)CCCC(C)C	2300864523	BNBJXXYLIUSYNZ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)CCC1CCC1	2300903672	HCAMBDQXDBWOAM-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(=CC[C@]1(O)C[C@H](C)[C@@H]1C)CCCC(C)C	2300911021	FXBKPFCLLPTCCS-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CCC(C)=CCc1ccc(OC2CCC2)cc1	2300929121	MGYCPKZCFZNVLG-UHFFFAOYSA-N	230.351	4.517	0	10	BJAE	
CCC(CC)c1ccc([C@H](F)C(F)(F)F)cn1	2302228447	FJYFZPCRCHKGBK-NSHDSACASA-N	249.251	4.558	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C(C)=C(C)C	2302577643	RAACBNJNMNDYJF-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC1(C[C@H](CCCCC2CC2)NC)CC1	2302580660	UNGRDSIEVJRZTN-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@](O)(C[C@@H]1CCC(C)(C)C1)C1CCC1	2302709601	JMMXGJKJCKLZJX-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCN(C)C[C@@H]1CCC(C)(C)C1	2302749397	XFLMNJLABBKDOC-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
C1=C[C@H](CCc2cccc(C3CCC3)c2)CC1	2303762948	BYRLLQWHOYDCCP-AWEZNQCLSA-N	226.363	4.853	0	10	BJAE	
C[C@@H](CC(C)(C)C)NCC[C@@H]1CCC(C)(C)C1	2304358872	DASWPDLJGWEYSR-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCCc1ccccc1OC(C)(C)C	2307635381	YTTQOYBUGLFGBZ-UHFFFAOYSA-N	230.351	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC2(CCCC2)C1	2307839088	VRJPDSZKBPBRHN-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(CC)CNC1CCC1	2307847526	XJRONZUXKRMEIR-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CO)C1CCCCCC1	2307875646	IYTAOIMOTIIPNM-GDBMZVCRSA-N	240.431	4.782	0	10	BJAE	
CCCC[C@@](CC)(C[C@@H](CC)CCC)C(=O)O	2307894588	MZCQXJWDDVMFQS-ZFWWWQNUSA-N	242.403	4.874	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H]1CCC[C@@H]2C[C@@H]21	2308619018	YSMAKDVJVNYVAI-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C[C@@H](N)[C@@]23CCCC[C@@H]2CC3)CCC1	2313292768	WLBIIBKCDWHOLE-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](C[C@@]23CCC[C@@H]2CC3)NCC)CC1	2313321990	YGRGRBMCHBJJKY-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1[C@@](C)(N)CCCC(C)C	2315951521	HEXOIMYBABJBBU-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC[C@](N)(CC1CC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316879853	HFIXKVUXPZKHCS-HJWJTTGWSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCCC1)[C@H]1CCCC12CCC2	2316880025	HSIIKNFKJSDDPE-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@@]1(C)C=CCCC1	2317003923	XWSHQYXDGIHKPM-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(=O)[C@@H](CC(C)(C)Cc1ccccc1)C(C)C	2317283098	JGMRGWJRKNGSAY-INIZCTEOSA-N	246.394	4.507	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CC[C@@H]1CC1(C)C	2317561064	GOIXQAWPSQKHHB-CYBMUJFWSA-N	245.341	4.525	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@H]1CCC=CCCC1	2318936664	QWEMZNHUYAFXHX-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)CCCC1=CCCCC1	2318942800	AGOICDBCVAQZNZ-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCCC[C@H]3C[C@H]32)c(C)c1	2319350142	SAHPVRVCNGDWRB-ARFHVFGLSA-N	243.394	4.602	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC[C@H]2CC[C@@H]2C2CC2)C1	2319730692	OFHYXDCXEMAHHN-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CC(=C[C@@H]1CC[C@H]1C(C)(C)C)C[C@H]1CCCCN1	2320239159	BNEAMQCRKBPOQS-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)cc(NC[C@@H]2CC[C@H]2C(C)(C)C)c1	2320320814	SBYMIYUWRMIZDX-SWLSCSKDSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(O)CCCCC23CC3)CC1	2320337799	PVWROPBUQAYDMR-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CCCC1(NC[C@H]2CCC(C)=C(C)C2)CCCC1	2320417716	XLHTVVSBOJUUGJ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC[C@H](C)C2)cc1	20554252	WJEXXVHRTHUJCM-XJKSGUPXSA-N	231.383	4.630	0	10	BJAE	
CCCCc1ccc([C@@H](C)NC(C)(C)CC)cc1	22152058	ZIGQASKISVWQSX-CQSZACIVSA-N	247.426	4.868	0	10	BJAE	
Cc1cc(C)cc(-c2cc(C)nc3ccccc23)c1	34605228	QZQUAJMSPFZBQF-UHFFFAOYSA-N	247.341	4.827	0	10	BJAE	
CCCCCSc1ccc(C(=O)C2CC2)cc1	58017127	YKUIARNUIBHGML-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC(CCC)NCC[C@@H]1CCC[C@@H](C)C1	70537406	IURNCEQTSPJNOY-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCCC(C)(C)C2)c1	79971237	GCCSESUKZLIGPR-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@]1(O)CCC[C@H](C(C)(C)C)CC1	83520776	ZZGDIEBMLQRYSD-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](C)c1ccc(C)s1	83864314	AISOSUPTKLHDOX-LOWVWBTDSA-N	239.428	4.532	0	10	BJAE	
Cc1cccc(Cl)c1-c1cccc(F)c1F	84193216	OMWDHSTWNFSGEK-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CCCC1CCC([C@@H](O)c2cccc(C)c2)CC1	87960836	HHKVBNQBSFVLPR-VMBOVVBDSA-N	246.394	4.635	0	10	BJAE	
CCC[C@@H](CC)n1c(C(C)(C)C)c[nH]c1=S	88146575	WZDKGOZXVWCKOB-SNVBAGLBSA-N	240.416	4.594	0	10	BJAE	
CC[C@H]1CCC[C@H](Sc2cc(C)ccc2N)C1	91933925	GVCPFPWODWBHLG-STQMWFEESA-N	249.423	4.638	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1CCC[C@@H](C)C1	94984785	KPOPGDDVDVYNCS-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](N)c1cccc(-c2ccccc2)c1	95780064	UVGYNGNFBXSDBD-QGZVFWFLSA-N	239.362	4.544	0	10	BJAE	
Cc1ccc([C@H](C)NCC2(C)CCCC2)c(C)c1	104442322	ICKGHPRZFUIDLU-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)c1cccc(C)c1	109725558	ZDNNTPMJYCTIHD-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@@H](N[C@@H](C)[C@@H](C)CC)c1ccccc1	109927541	QYJCBYWAGPAUQX-YQQAZPJKSA-N	247.426	4.942	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1cccc(CC(C)C)c1	131743941	NSSBQZQYZAGPPR-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
CCCC1CCC(c2nc(C)cs2)CC1	131820117	MJHFGSMTAWQWMR-UHFFFAOYSA-N	223.385	4.525	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1ccc(F)cc1C	132601660	DKSYBBLLPVQVDS-IUODEOHRSA-N	248.341	4.533	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@H](C)CCC	133544642	PPROBTIJBXFSDX-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](NCCC)c1coc(C)c1	158454564	ICFWPEMKCMEKBF-HNNXBMFYSA-N	237.387	4.599	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CCC2CCCCC2)C1	168977554	TXTIYAJGLQRAJE-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@@H]2C(C)C)cc1	214426996	KVHMMFDUHYDNRS-HZPDHXFCSA-N	231.383	4.622	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)[C@@H]1CCCC[C@@H]1CN2	214648722	DTEWJMLQJOZIKR-TZMCWYRMSA-N	243.394	4.683	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c(C)c1	220561921	YLPIEAPVABRACJ-VNHYZAJKSA-N	231.383	4.540	0	10	BJAE	
CCCCC[C@@H](NCCC)c1c(C)cccc1C	232981960	BVFUUYJHJNPBDV-MRXNPFEDSA-N	247.426	4.924	0	10	BJAE	
Cc1cc([C@@H](C)NCC2(C)CCCCC2)c(C)o1	235185441	UZYBDJJCKDOZQG-CYBMUJFWSA-N	249.398	4.517	0	10	BJAE	
C[C@@H](c1c[nH]c2ccccc12)C1CCCCC1	235399007	ZTHSJUYMPRGOJR-GFCCVEGCSA-N	227.351	4.852	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCC(C)(C)CC2)C1	251994664	ZNROMCNGXIAEGH-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](C)Nc1cccc(C)c1F	300998375	XACHGZRODWSDDC-LBPRGKRZSA-N	223.335	4.515	0	10	BJAE	
CCCC(CCC)[C@H](N)CCC1CCCCC1	302294860	YEGYQGSPTBEAHP-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCN[C@@H]([C@@H](C)CC(C)C)C1(CC)CCCC1	302520204	DNIIKKKGRSZPDG-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](CCC)C1CC1	304397042	ZWMQBFJEAAOCJQ-GJZGRUSLSA-N	225.420	4.514	0	10	BJAE	
CCCCc1ccc([C@H](O)[C@H](C)CCCC)cc1	306006466	LRCGIFBLXKNLSQ-RHSMWYFYSA-N	248.410	4.889	0	10	BJAE	
CCc1cc(Cl)cc2c(SC)csc12	306786510	VCFYRBCUWZEMRM-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Cc1sc2ccc(Cl)cc2c1C(F)F	307351205	JZXGNTOGFQEBQV-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCOc1cc2sc(Cl)cc2cc1Cl	307443861	CFBWRWDIXOEDNP-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCc1csc2c(SC)ccc(Cl)c12	307505426	ZRKGCRXGOGIPNA-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCC(C)(C)C	308110293	MYCDTAQXDPOEPR-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
C/C(=C/CCNC(C)C)CC1CCC(C)CC1	310117652	HLEWMCJTKDDDMV-UUASQNMZSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(CNC(C)(C)CC(C)(C)C)C(C)C	310201910	BWISAPGYAHAMDA-UHFFFAOYSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)c1coc(C)c1	310979386	QTJMCKOCAZHBCX-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1[C@H]2CCCC[C@H]21)C1CCCCC1	311078429	NVYXUVMODRHWMB-MKVSYHDVSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC(N[C@@H]2CCCC23CCCCC3)C1	312998852	AQNOPIHUDAZIQV-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)CCC[C@H](CC(C)C)C1	319687511	RYVKBGPIVWIVOV-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
Cl/C=C\CNc1ccc(-c2ccsc2)cc1	381503314	QPIGYYCGXWADIL-XFSBKJJWSA-N	249.766	4.580	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCC1=CCCCC1)NC	385809988	QBRAVNDLGMRNSM-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCc1ccsc1[C@H](N)CCC1=CCCCC1	385816986	RAVINPHKNSRJGK-CQSZACIVSA-N	249.423	4.591	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@H]1CC(C)C)c1ccccc1	385845841	ORTLPJQSYGDAIT-IXDOHACOSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCCC12CCCC2	385862339	XDIDJJFHGMBLLV-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CC[C@@H](Nc1cccc2ccsc12)C(C)C	386269903	YYPKHENARKIHNR-GFCCVEGCSA-N	233.380	4.748	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCC[C@@H](C)[C@@H]1C	391206899	SNHCQFICMBDBSW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C/C(=C\C1(C)CCCCCC1)CNC(C)(C)C	394675565	RYJSVGSBKSSOSP-WYMLVPIESA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1sccc1Cl	395221441	MTFNINLKRCNZSZ-LLVKDONJSA-N	246.803	4.651	0	10	BJAE	
CCc1ccc2cc(C(F)F)sc2c1F	396199491	ORXVNFYOWSACDR-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1c(C(F)F)ccc2cc(S)sc12	396241838	MEOBCUNOHBCGHX-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
C[C@H]([C@@H](N)c1ccc2ccccc2c1)C(C)(C)C	399098703	ZNFFLRWFBNOWIZ-MLGOLLRUSA-N	241.378	4.522	0	10	BJAE	
CCCCc1ccc([C@H](O)[C@H](C)C(C)(C)C)cc1	399151860	JPELSMNUGFLRQK-XJKSGUPXSA-N	248.410	4.745	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C1CC1)C(CC)CC	405738684	OLGBPDSYNXEOAM-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)CC2CCCC2)c1	689790042	LTQYULGAWGJSIN-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
CC(C)CC[C@H](C)Nc1cccc(F)c1Cl	690269413	XQRRAMZNXFQXHK-JTQLQIEISA-N	243.753	4.716	0	10	BJAE	
CCCCCC1(CNC(C)C)CC2(CCC2)C1	691419951	CLWOSKDGDQXDSM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Clc1cccc(-c2ccc3sccc3c2)n1	691794789	QAJYYVLDJALRPK-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2CCC3(CC2)CC3)C1	695667608	RZRAGYYSDFDTFJ-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)CCNc1ccc(C2CC2)cc1	696705497	WMDZQFAVXQLBER-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCC(C)(C)CCCC[C@H](O)c1ccccc1	696797555	ZNIAHRIRLKBISU-HNNXBMFYSA-N	234.383	4.717	0	10	BJAE	
CCCN[C@H](CCC)[C@]1(C)CC[C@@H](C)C1(C)C	699096660	NMFUUSNEJBJGNP-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CCC1=CCCCC1)c1ccccc1	702101459	VMWBTQNUOGJOFZ-KRWDZBQOSA-N	243.394	4.531	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)[C@H](C)CC(C)C)c1C	704738474	GHVUFJRNQXBVJE-CXAGYDPISA-N	248.410	4.636	0	10	BJAE	
CCC[C@](N)(C[C@H](C)CC(C)C)C(C)(C)C	704889527	NTCLAOVYMAHEPC-HIFRSBDPSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(N)(C1CCC1)C1CCC1	705335995	RFOBXBALPXNFRY-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)CC(C)(C)C	707700530	YHSWKWUCICLRNI-UKRRQHHQSA-N	227.436	4.747	0	10	BJAE	
CC(C)NCCC(C)(C)C[C@H](C)CC(C)(C)C	709084512	WJBWIWNIWXRCKD-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCc1ccccc1N[C@H]1CCCCC[C@@H]1C	709165585	FNAURYNJYUFMJL-ZFWWWQNUSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H](C[C@H](CCC(C)(C)C)NC)C(C)(C)C	711100427	YXAQCXALVKLXSX-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)[C@@H](C)C(C)(C)C	711120234	KUQGKRXOBRHWGC-BFHYXJOUSA-N	241.463	4.719	0	10	BJAE	
CC(C)c1ccccc1NCCCC1CCC1	711181458	RURQYFACMOKWDF-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@H](C)C(C)(C)C	711200444	QLXPHQXWAWHVEH-RRFJBIMHSA-N	241.463	4.848	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)CC[C@@H]1C[C@H]1C1CC1	714912044	TWSXSIXEJKLDLM-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(CCCC(C)=C(C)C)s1	718773023	MNJWQPRNKRMGJB-UHFFFAOYSA-N	222.397	4.990	0	10	BJAE	
c1cc(NCCCCC2CC2)cc(C2CC2)c1	720117229	OGRXQXCPEUTGKJ-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC(C)Oc1cccc(CC2CC2)c1C(C)(C)C	725424732	KDSQRDMFGMRTSQ-UHFFFAOYSA-N	246.394	4.724	0	10	BJAE	
CCc1ccc(CSC/C(C)=C\Cl)cc1	1641086672	DCIJVOVJAXOLJG-FLIBITNWSA-N	240.799	4.625	0	10	BJAE	
C1=C[C@H](SCCCCc2ccccc2)CCC1	1643859512	WSLNBHBPQRELQC-INIZCTEOSA-N	246.419	4.851	0	10	BJAE	
C/C(=C/Cl)CS[C@@H](C)c1cccc(F)c1	1652796694	FLZPSYQPZUORKR-RNKPRXRFSA-N	244.762	4.763	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC=C(C)CC	1900884698	XCUDHIJDBFMFST-HUUCEWRRSA-N	226.404	4.556	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1scc(C)c1C	1905380071	CREAXEINSGUPKH-QWHCGFSZSA-N	240.412	4.615	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)CC1(C)CCCC1	1905433622	VQTMHJFCBYLVLO-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H](CC)CC(C)C	1905435001	OIEIQUSIFYGODK-KBPBESRZSA-N	226.404	4.844	0	10	BJAE	
CCC[C@@H](CC)CCC[C@@H](NCC)C(C)C	1905443373	HPNYIGGPCOGZOM-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CCC2=CCCCC2)[C@H](C)C1	1916078053	BHZHWZSSQLSUAK-GZBFAFLISA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)C[C@](O)(CC(C)C)c1ccccc1	1920027423	WXIBRLDHRWLFEJ-QGZVFWFLSA-N	248.410	4.747	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)C1CC(CCC)C1	1921273326	ROEJRWVUNVVGLQ-VXLLPVPCSA-N	249.442	4.537	0	10	BJAE	
C[C@H](Cn1ccnc1C1CCCC1)CC(C)(C)C	1923582344	FNGZGIBLENUKBU-ZDUSSCGKSA-N	248.414	4.613	0	10	BJAE	
C1=C[C@@H](CCc2ccc3c(c2)CCC3)CCCC1	1925830858	UMXMZJOSOCZHNN-OAHLLOKOSA-N	240.390	4.854	0	10	BJAE	
CCCN[C@H](C)C1CCCCCCCCC1	1938718950	OJTMFTOHCNXANN-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC[C@](O)(CC1(C)CCCCC1)C1CCC1	1940402849	HKSGQALHIHQLQE-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](C[C@H](C)CC(C)C)NC	1941265573	WOHVLJROZAQUQL-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@@H](CC)CNCC1(C)CC(C)(C)C1	1942074609	ARLCOOHZLHERKO-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)c1nc(C2C[C@@H]3[C@@H](C2)C3(C)C)cs1	1944701182	HTKMNOSYEPNVQW-GHMZBOCLSA-N	249.423	4.590	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@H]1CCC[C@H]1C	1944835667	DORBBOOKNFEQAI-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)C[C@@H]2CCCC[C@@H]2C1	1946292932	KFUPYKOPSWSTCC-FOLVSLTJSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H]1CCCCC1(C)C	1947445327	ACVRGUPBZQNLRX-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@H]2C=CCCC2)CC1	1947560096	WUBPNQFSTMAQMU-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC1CC2(CCC2)C1	1949856466	BILQHEIVOSPDDL-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)CC2CCCCC2)C1	1949918684	UFIQCHSJEBUVKN-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(NC[C@H]2CC23CCCC3)cc1Cl	1950669957	YJCIQGPMHWOWIQ-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CC1(C)CCC(c2csc(Cl)c2N)CC1	1958172153	WDOWFQISAGXEAU-UHFFFAOYSA-N	243.803	4.668	0	10	BJAE	
CC(C)C[C@H](C)CNc1ccccc1C1CC1	1969417194	VMPVCOWJHXIUAT-ZDUSSCGKSA-N	231.383	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H]2CCCCC23CC3)C1	1972741043	AKFDCDSYBMQZNR-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](NC2CC3(CCCC3)C2)C1	1972913914	JLFQOVPBOQVDLP-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CC)C(=O)C1CCC(C)CC1	1978451064	BYIIKOIYOSVCAQ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)c1ccsc1C	1978538121	FYFUFAGVJNGDKR-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCN[C@@H](C(C)(C)CC)C(CC)(CC)CC	1978564019	PKVZSNDSOSZFEN-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@](C)(CCCC)CNCC	1978639541	QXXNIKGMENZKJZ-HNNXBMFYSA-N	227.436	4.763	0	10	BJAE	
CC(C)CCCC(=O)C1(C)CCC(C)CC1	1983313497	BXAGNVRVJPLNAX-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CC(=O)C1(C)CCC(C)CC1	1983314361	MJYBRVYEYAQQFT-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CC)CCC(C)C	1986948764	RHYJCWOCSFFMSH-LSDHHAIUSA-N	227.436	4.760	0	10	BJAE	
CCCC(=O)CCCCC(C(C)C)C(C)C	1988297061	CQTPOFWCNSSRSU-UHFFFAOYSA-N	226.404	4.844	0	10	BJAE	
CCCCCc1ccc([C@@H](N)CC(C)C)s1	1991773356	ZAOBPTZUIFVSKW-ZDUSSCGKSA-N	239.428	4.527	0	10	BJAE	
CC(C)C(=O)CCC[C@H]1CCCC(C)(C)C1	1994026663	SJHHPQHVTCCZQM-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CCCC[C@H]1c1nc(C2CCC2)cs1	1995468767	BDQFRZKSVYTBNF-CMPLNLGQSA-N	235.396	4.704	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@H]1CCCC(C)(C)C1	1995834210	BCSNDWIOVMEMRS-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CCC/C=C/CNc1cccc(C2(C)CC2)c1	1995874116	NRFLEZLLWOURPW-AATRIKPKSA-N	229.367	4.506	0	10	BJAE	
CC1([C@@](C)(O)CC2CCCCC2)CCCCC1	1995986598	PEGQAHZGYLXVMI-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC1CCC([C@H](C)NC2CCCCCC2)CC1	1996547692	OZVZBFGDWRMCRO-SLTAFYQDSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)[C@@]1(O)CCCC2(CCCCC2)C1	1996646156	RMVKZMPOGQNMAP-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCCCC(CCCCC)NC1[C@H]2CC[C@H]12	1997486691	ZBVZKKDDZVLJFS-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](NC[C@@]1(C)CC=CCC1)c1cccs1	1997581174	KKHWFSFJOLDGMW-HIFRSBDPSA-N	249.423	4.535	0	10	BJAE	
CC1CC([C@@H](C)Nc2ccc(C(C)C)cc2)C1	1998656464	ANUWOFZNKYUHQB-JVWICGRDSA-N	231.383	4.657	0	10	BJAE	
CCCC[C@@](C)(CCCC1CCC1)CNCC	2000504274	GKNBIAVDQSTFGT-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@](CC)(CCC(C)=C(C)C)CNC	2000505364	QECZRKVLGMIDDC-MRXNPFEDSA-N	239.447	4.929	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@H]1CC[C@H](C)C1	2000515054	YLLAYGHQOYLOLO-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@@H](C)C1CCC1	2000518017	JVARYDANIBOVEY-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2CCC[C@@H](C)C2)cc1	2002999188	QYBCJWIYKBZRPW-KFWWJZLASA-N	231.383	4.622	0	10	BJAE	
CCCC[C@@H](C[C@H]1CCCC2(CC2)C1)NCC	2003213173	CDHQICBPYVZXKT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)[C@](C)(F)C(C)(C)F	2003235064	BVJNSUIZPRZKEQ-AWEZNQCLSA-N	248.357	4.638	0	10	BJAE	
CC(C)=CCC(=O)c1cc2cc(F)ccc2s1	2004195792	BGJBFHVCLCLMID-UHFFFAOYSA-N	248.322	4.579	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CO)CCCCC1(C)C	2005584756	YWNUKLUIGUGFGW-INIZCTEOSA-N	238.415	4.702	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@H]1CCCCC1(C)C	2005585047	BNWZLPRFPTXPRJ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1C=CCCC1(C)C	2006895204	QJHFKYKWGZJEMO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H]1CC[C@H](NCCC)[C@H]1CC	2009248676	KBTGWHLFSUSZOT-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CC=CCCCC1(N)CCC2(CCCC2)CC1	2009569297	NITWDJCDAOYPID-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
C/C=C/CCCNc1ccc(C(C)(C)C)cc1	2009586821	ACBMGAVYNNHAGS-AATRIKPKSA-N	231.383	4.752	0	10	BJAE	
CC=CCCC[C@H](O)[C@]1(C)CC[C@@H](C)C1(C)C	2009595332	WHPOEFKLUDWCSA-YCPHGPKFSA-N	238.415	4.556	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2CC[C@@H](C)C2)C1	2009788216	VNDMLBOILRGCAR-WXLSXGNJSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@](CC)(CNCCC)C(C)C	2012406751	ABWSHIAWCFRAJT-YXMGTMDOSA-N	239.447	4.785	0	10	BJAE	
CC[C@@H]1CC=C([C@](N)(CC)CCC(C)C)CC1	2013295453	GCSNXCJVKSIYJK-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCN[C@H](CC(C(C)C)C(C)C)C(C)(C)CC	2015275528	QSCQINASQVOJGD-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](C(=O)CC(C(C)C)C(C)C)C(C)C	2015378387	LORRAPOTJHIKBM-AWEZNQCLSA-N	240.431	4.946	0	10	BJAE	
Cc1cccc(N[C@H]2CC[C@@H]2C2CCC2)c1Cl	2017041906	FBTQSHMIJCUSOP-OLZOCXBDSA-N	249.785	4.639	0	10	BJAE	
CCN[C@@H](CCC(C)C)C1(C(C)(C)C)CCC1	2017138409	JPKPDRNKVIVBSD-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@H]1C)CC(C)(C)CC	2017245820	PDOMVARMEHELDK-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNC(C)C)CCC1(C)C	2017466784	OZSZXLLHDKHZIH-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C[C@@](C)(N)CC(C)C)CC1	2017727917	FWSLDVRXLXEWIS-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)C(C)(C)CC)CC1	2017728900	QFZGTYFQCSSIDX-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(C[C@@](C)(N)C=C(C)C)CC1	2017770119	HVUCZXDJAQEZDE-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C(C)(C)C(C)C)CC1	2017774304	MRIYWDOESFGADH-HDJSIYSDSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)N(C)[C@@H]1CCC2(CCCC2)C1	2018183318	WXOHFQVDYFYSNS-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
C[C@H]1CCCCC[C@H]1N(C)CCCC(C)(C)C	2019326033	QZFZDWZQEJJMQR-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
C[C@H](CC[C@@H](N)CC1CCCCC1)C1CCC1	2019853253	RNRPPKYRXKDYHF-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H]1CCCC(C)(C)[C@@H]1N)CC(C)(C)C	2020360935	KZWGSGLUCBIRHY-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@H]2CCCC(C)(C)[C@@H]2O)CCC1	2020403118	NTSNIAOCJYWHIA-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C(C)C)C(F)F	2021004567	CGLJHJBAZRUBGF-ZDUSSCGKSA-N	241.325	4.512	0	10	BJAE	
CC=C(CC)[C@H](CC[C@H](C)CCCC)NCC	2026075226	TXEODWKSAJFXHS-ZBFHGGJFSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCC)C1=CCCC1	2026164350	RZEYPLXKFNWHQE-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC1(CC[C@@H]2CCc3ccccc3N2)CCCC1	2027305843	DYSCBLAGFNSZMR-HNNXBMFYSA-N	243.394	4.774	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2CCC=CCC2)C1	2028874166	MFOINMIYJAFHEZ-HOCLYGCPSA-N	248.410	4.908	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1cccc2c1CCC2	2029745728	RZIZUCKPCCJDSC-ZDUSSCGKSA-N	244.378	4.574	0	10	BJAE	
CC(C)c1ccc(OCC(C2CC2)C2CC2)cc1	2032162128	XOOLWCALPHLKLI-UHFFFAOYSA-N	244.378	4.625	0	10	BJAE	
CC1(CCCNc2cccc(C3(C)CC3)c2)CC1	2032245723	MCVDQAIONRAOJH-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)c1cccc2ccccc12	2032345931	IKFSYHIJMFNQNJ-INIZCTEOSA-N	241.378	4.522	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC1(C)C)C1=CCCCCCC1	2032426103	DMOPSHYPBRDNOL-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@@](CNC(C)(C)C)(C[C@@H]2C=CCC2)C1	2035591105	VKBTVIHNZJTDSJ-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2037143752	RISOPPVDCRRQFO-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)[C@@H]1CC12CCCCC2	2039079630	SOWFTGZXZKXODL-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
O[C@@H](CC12CCC(CC1)C2)C1=CCCCCCC1	2039379643	BIVHPTQINMUBET-WIHSUSGWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2[C@H]3CCC[C@H]32)CC1	2039387556	XOQWKMSABCTJPF-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CC1CCC([C@H](C)NCCC2=CCCCC2)CC1	2040636574	SINQQPFKDHLKKO-CKDBGZEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCCC2(CCC2)C1	2041291178	XFEHSOQTQBDMCR-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)NC[C@]1(CCC2CCC2)CC=CCC1	2042091794	OONUKELVLCMRSG-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@@]1(CNC(C)(C)C)CC=CCC1	2042094048	MYTVYNBLQLLLHI-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H](C)C2CC3(CCC3)C2)CC1	2043547021	MOOIKSOPDQGQML-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CCC3(CCCC3)C2)C1	2045384338	HZSZFUVISYBPCT-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCC(C)C)c1cc(C)c(C)cc1C	2045640441	DTKRFCPCRFEOBX-QGZVFWFLSA-N	247.426	4.699	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNC1CC2(CCCCCC2)C1	2046230649	VQILEIDIVPFCFM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC(=O)c1cccc(C2[C@@H]3CCCCC[C@@H]23)c1	2049171731	AKCHKXAWGSUWLS-HUUCEWRRSA-N	242.362	4.573	0	10	BJAE	
CC(C)C1CCC([C@](C)(N)CC2=CCCC2)CC1	2049415985	URHJMOQLGDHGRM-OFLPRAFFSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C2=CCCCCCC2)C1	2049496504	UXESXFOFGFBKLQ-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(NC2CCCCCCCC2)c(C)n1	2049670998	AAKCZIBNKPYWTD-UHFFFAOYSA-N	246.398	4.613	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@@H]1CCCC2(CC2)C1	2049853375	DTZSWUFYVSEGMD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CCC3(CC3)C2)c1	2049861074	CBRDPUZFLCRQQJ-CQSZACIVSA-N	243.394	4.802	0	10	BJAE	
CCCC1([C@@H](C[C@H]2CCC3(CC3)C2)NCC)CC1	2049863598	HOHQEVJGTSTWER-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@H]([C@@H]1CCCC(C)(C)C1)[C@@]1(C)C=CCCC1	2049999801	GZUSKNZDLXOQMU-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](N)c1ccc(C)cc1	2050426727	PYOMZBJOBCGGJO-WBVHZDCISA-N	247.426	4.991	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1)C1(C)CCC1	2052345916	SQVRJBUMWBGTMY-HWMZRRJGSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H]1CCC[C@H](C[C@H]2CCC=CCCC2)[C@H]1C	2055622305	CNRUAPBCQKZXBN-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1=CCCC[C@H]1NC1CCCCCCCCC1	2055672594	UYFDGGXCMKKGNO-QGZVFWFLSA-N	249.442	4.968	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](N)C1(C)CCC2(CC2)CC1	2056557819	YEUKCQHOOYNECP-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2CC(C3CC3)C2)CC1	2056667824	LHKGJPHCWDRVOF-OYRUBNOYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C1(C2CC2)CCCC1	2057595405	HRHJNXRDPMHAIK-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)[C@@H]2CCCC[C@H]2C)CC1	2061116544	QWGAOZYZIHSHIJ-MUIFIZLQSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2CCCCCC23CC3)CC1	2062019907	XJWCRXHHDYLHMZ-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C23CCCC2CCC3)C1	2063861725	UCJKBCZXVAOSPO-CBCUQQMYSA-N	248.410	4.742	0	10	BJAE	
C[C@H](NC1CC(C2CCCC2)C1)C1(C)CCCC1	2067529287	FRYVZWLWSOOVCM-JEYLPNPQSA-N	249.442	4.514	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CN[C@@H](C)C2(C)CCCC2)C1	2067570608	NXBULWMKFXMNSH-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NC[C@]1(CC2=CCCC2)CCC1(C)C	2068242066	GIHXMFLQYHYZDN-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@H]1CCC1(C)C	2068247845	ZXRROSLRYRJLBS-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)C(CC[C@H](N)C1CC(=C2CC2)C1)C(C)C	2068947002	AMMXFTMQVWYIMX-KRWDZBQOSA-N	249.442	4.523	0	10	BJAE	
CCCC1(C[C@@H](NCC)c2cocc2C)CCC1	2069341685	HVCIWQHCUGSJQX-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@H]2CCCC23CC3)CCC1	2069344068	GVRAZTUSVZZVED-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@@]23CCC[C@@H]2C3)CCCC1	2070861223	JMRCNHXPMALBBQ-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1(CC(C)=C(C)C)C[C@H]2CC[C@H]1C2	2072409029	WQEOCNCPTRVGHA-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2CC[C@@H]3C[C@@H]32)CC1	2072879824	XBPRAYQTKNKMKY-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@H]2CCC3(CC3)C2)CC1	2074647297	VZNKKLFATJINRV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC12CCC(C)CC2	2074898361	CAYQULDQSAXHBT-GMRIPVOYSA-N	249.442	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@]12CCCC[C@@H]1CCC2	2077185795	VOTXNOJXRGZMJL-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1C(C)=CCC[C@H]1C	2077195485	OCYLTYNXYLIUHN-PVAVHDDUSA-N	249.442	4.703	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccccc1C1CC1	2077261971	JISFTWHQKOUFLX-CZUORRHYSA-N	243.394	4.945	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2C[C@@H]2C2CCCCCC2)C1	2079491117	HETYMGXXNGRSAY-AHNOJICISA-N	248.410	4.598	0	10	BJAE	
CCCC1CC(N)(C[C@@H]2C[C@H]2C2CCCCC2)C1	2079666763	SPGOHCFAEHXLAD-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2C[C@H]2C2CCCCC2)CC1	2079860117	CSWWIWDGNRLMBW-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@]2(C)C=CCCC2)C1	2082987539	QZESULXLENMUSJ-WMLDXEAASA-N	248.410	4.908	0	10	BJAE	
Cc1cscc1NC[C@H]1C[C@H]2CCC[C@H](C2)C1	2213296210	IFGNARLTLJQQJI-BTTYYORXSA-N	249.423	4.685	0	10	BJAE	
CN[C@H]1CCCC[C@H]1CCCCCCC1CC1	2213577067	XQOOECBCXYAQFC-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
Clc1ccc(NC2CCC(C3CC3)CC2)cc1	2213702786	QVIMBWAWNDCLFJ-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)CCCCC2CC2)C1	2214586729	XJWSVIFKADVVSK-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)[C@H]1CCC[C@@H](CC)C1	2215332717	OCTMMLLXROYSHI-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC1(C)CC(C)(C)C1	2215384181	DEPRAMMPDPSFNB-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
C/C=C/CCCN[C@H]1CCC[C@@H](C(C)(C)C)C1	2216248494	XVIZXHTUUDBGBT-MUHKLVGJSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NCC1([C@@H](C)[C@@H](C)CC)CCCC1	2217151680	XTSONTFOSFNISO-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CCC1CCCC1)CN[C@H](C)CC	2217154185	RIVLQMJYDDKGKG-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NCC1([C@H](C)C(C)C)CCCCC1	2217155172	AALASFRRIHNGHX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1C[C@@H]2CCC[C@@H]21	2217284572	ZEWPEOMESQIBME-CORIIIEPSA-N	249.785	4.503	0	10	BJAE	
CCC1(NC[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218359118	ZQAFJCMYRDZDJN-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1=O	2218378056	NHEUBWVQNRLYMM-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1CC[C@H]2CC[C@H]1C2	2218715896	ZVUHEMDJEQWDSW-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCC1(NCC2(C)CC3(CCC3)C2)CCCCC1	2221017168	SRHSNYDVLBEYFI-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1	2221075351	FJLOUJMZOABCQI-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(CNC(C)C)c(C2CCCCC2)c1	2221800785	GEKNSEISIRUTJF-UHFFFAOYSA-N	245.410	4.541	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NC)c1c(C)cccc1C	2222008785	JOGPOBXZMNOVBE-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C[C@@H]2CC=CCC2)C1	2222259240	KGMNGZXUFLMRNF-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@H]1C=CCCC1	2223124315	YHOWLWCVXLWZFB-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(F)cc(-c2ccc(C(C)C)cc2)c1N	2223573169	MGXXOKSJGAQJOI-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1csc(C)c1C	2242619692	DMTNWDSXWNSQGH-GXTWGEPZSA-N	240.412	4.615	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)c1csc(C)c1C	2246387547	SDSNSEKWRMXYKV-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CC[C@](C)(CCCC[C@H]1C[C@@H]1C)CNC(C)C	2247163820	LQFXDUURGHKOGE-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2=CCCCC2)CC1	2247514410	UXKWGUCRQXQQGK-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)C[C@H](N)CCCCC[C@H]1C[C@H]1C	2248839924	DOBUKGGDHVQKMK-VNQPRFMTSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@H](O)[C@H]1CCC2(CCCC2)C1	2250355392	AVRKSBLHJCOIID-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1CCC(C)(C)CC1	2250356493	QSHRGXNJYBLOTA-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H]1[C@@H](CCCC(C)(C)C)CCC1(C)C	2251711760	KCPRLHGNSKPLLP-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1([C@@H](O)c2ccc3ccsc3c2)CCCC1	2253069600	DXWQERZXPXWNNG-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CCc1ccc(C(=O)CC[C@H]2CCC[C@H](C)C2)o1	2253933314	WZNWLLFGYKMLSM-QWHCGFSZSA-N	248.366	4.631	0	10	BJAE	
CN[C@@H](CCC1CCC1)CC[C@@H]1CCCC12CC2	2255241554	PFJYAMWTXMOYMA-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)CNc1ccccc1OC(C)C	2259466027	YFONLAOXDGOUNO-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
CC1CC2(C1)CC(C[C@]1(N)CCCC(C)(C)C1)C2	2259583208	RSYYVQQRKAAXGZ-UJCFSERGSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H](N)c1cccc(CC2CC2)c1	2260891374	HOXNBXOHLZUONF-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCNC[C@]1(CC=C(C)CC)CCCC[C@H]1C	2300869001	DYNAIYTVECEUCJ-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC(C)=CC[C@@H](N)C1(C)CCC(C)(C)CC1	2300896261	GXSFMFUCEMTWFT-CQSZACIVSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(N)[C@@H](C)C[C@H]1C	2300992804	DLNHPGJIACOFKM-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CC(C)(CCNC1CC1)CC1CCCCCC1	2301235573	DMUMXUMSWSIGSL-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(C(=O)CC2CCCCCC2)CCCCC1	2301237387	WKCOLAMZZCIGLW-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](C)[C@H](C)CNC(C)(C)C	2301832758	MZGXGLYWRJGHTE-QPSCCSFWSA-N	241.463	4.575	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](O)CC1CCCCCC1	2301963619	CWGSZHDOOXCYDI-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)[C@@H]1CCCCC1(C)C	2301985041	XFFRBWRWCKZZBC-SOUVJXGZSA-N	239.447	4.568	0	10	BJAE	
N[C@H]1CCCCC[C@@H]1CCCC1=CCCCC1	2302362417	YWIRCZMNOHHMBO-CVEARBPZSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303464907	JIBXLQHPKGDSFU-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1ccc(C)cc1C	2307842195	IAYIFEZQHMIBLG-ZBFHGGJFSA-N	234.383	4.553	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CN)C1CCCCCC1	2307929443	ZDRVUBZHFMMQHH-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
C1CCCC(NCC[C@H]2CCC[C@@H]3C[C@H]23)CCC1	2310414016	IMRAIXSAJVNIGN-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NC[C@@]12CCCC[C@@H]1CC2	2313329420	OYTACVBDUVQPDY-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H]2CCC3(CCCC3)C2)N1	2315472048	DDJSAYYHVINAHG-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC(=CC[C@]1(N)CCC12CCC2)CCCC(C)C	2316521017	SFXLXZFFDAGAPA-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CCC(C)=CCC(=O)c1ccc(C2CCC2)cc1	2316574992	BHIIVPWZEMVGLK-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
O[C@@]1(CC2CCCCCC2)C=CCC2(CCC2)C1	2316862841	JVUQYLGHTLEOLY-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](N[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2316945186	DQDQFZBZFJLORD-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@@H](C)C1CCC1	2317557979	FYUFQUBVGKGJLI-LLVKDONJSA-N	245.341	4.525	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](O)CCC2=CCCCC2)CC1	2317968476	GCKRRPCMLOSZHO-PBHICJAKSA-N	248.410	4.764	0	10	BJAE	
CCCCCCc1ccc(C)cc1CNCCC	2318370877	ZRMLJZLPUMOVHV-UHFFFAOYSA-N	247.426	4.617	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)CCCC1=CCCCC1	2318581186	UACHFOQAGQNMSQ-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
NC1(CC[C@H]2C[C@@H]2C2CCCCC2)CCCCC1	2318867133	OVAPYNNTHVFJMK-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1C[C@H]1C	2320387772	JVSHGAKTBKSHFX-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@H](N(C)C[C@H]2CCC(C)=C(C)C2)C1	2320390936	ORUXMMAHKWAGJR-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CCNC[C@]1(C2CC(C)(C)C2)CCC(C)=C(C)C1	2320396216	HRVMPFYMDRZRER-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CNCC(C)(C)C2CCC2)CC1	2320415424	AFUIJAVOIRWLFV-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1cccc([C@@H](O)CCCC2(C)CC2)c1	2320586343	PNVBURZRESFMLC-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCC23CCCC3)c1	2321086885	JFIORCOQOHFJDZ-HNNXBMFYSA-N	247.357	4.523	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H](CC)c1ccccc1	2328280501	ARJJAFWFYMXZHQ-XIRDDKMYSA-N	247.426	4.724	0	10	BJAE	
CCC[C@@H](C)C(=O)c1ccc([C@H](C)CC)cc1	36940771	ZYXMBRWPFXTTFA-CHWSQXEVSA-N	232.367	4.819	0	10	BJAE	
Cc1cccc([C@@H](C)Nc2ccc(C)cc2C)c1	37509708	BFVYOZNNFDSOKA-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
Cc1cccc(C(C)C)c1NCC(C)(C)C	41233485	DPOCPSIICWDEBO-UHFFFAOYSA-N	219.372	4.576	0	10	BJAE	
CC(C)c1ccc(-c2ccc(Cl)c(N)c2)cc1	41296793	VMENSFAHAIBQGL-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
Cc1ccc(C(=O)C(C)C)cc1-c1ccccc1	49829361	PRXGSMNSWNRRBY-UHFFFAOYSA-N	238.330	4.501	0	10	BJAE	
C/C(=C\c1cccc(C)c1)c1ccccc1	67738809	JRZAOOLGDMRHQG-WYMLVPIESA-N	208.304	4.556	0	10	BJAE	
Cc1cccc(OCc2cccc3ccccc23)c1	70236494	AWIUTBQWUZLQOW-UHFFFAOYSA-N	248.325	4.727	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)C(CC)CC	82631016	UXBKQLLEEWMFJO-ZIAGYGMSSA-N	227.436	4.760	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCC(C)(C)C1	83783651	ZNPGNLKANBQLJJ-OAHLLOKOSA-N	245.410	4.938	0	10	BJAE	
CNc1cccc(-c2ccc(C(C)C)cc2)c1	84016562	WDEYLZPEQQNZSS-UHFFFAOYSA-N	225.335	4.519	0	10	BJAE	
CC(C)C[C@H]1NC[C@H](C)c2ccc(C(C)C)cc21	84231247	LLBWOASPHXVSAC-SUMWQHHRSA-N	245.410	4.604	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)C1CCCCCC1	87947601	KLMXGUMOCXQLEQ-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC1CCCCCCC1	88506299	QPMDAVXJRIWIFB-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1ccc(CC(C)C)cc1	94902139	KXRKAEXJEBELMG-YOEHRIQHSA-N	248.410	4.745	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@H](C)C[C@H]1O[C@H]1C	107600232	WKWMUNSPWYSHMH-DVOMOZLQSA-N	246.394	4.573	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)c1ccc(C)cc1	109705106	NVGJIDDOUGHQOJ-RDJZCZTQSA-N	247.426	4.775	0	10	BJAE	
CC[C@@H](C)[C@H](C)N[C@@H](C)c1cc(C)c(C)cc1C	109927723	VOOINQDREJEUIQ-RLCCDNCMSA-N	247.426	4.697	0	10	BJAE	
CCC[C@@H](C)CC1(CNCC(C)C)CCCC1	110202046	VIXSHHJRUSYONE-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)CNCC1CCC(C)CC1	113014144	FBCWDMBZNOXGJR-PCKAHOCUSA-N	239.447	4.619	0	10	BJAE	
CC(=O)c1ccccc1-c1ccc(C)c(Cl)c1	132272931	QZUIEPXXXPGOGV-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
Cc1ccc(-c2ccc(C3CCC3)cc2)c(N)c1	133386245	NEPBCRGLRZBDFP-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCC(CC)C[C@@H](N)CC1CCCCCC1	133435430	XPOOYUNVGYLNSC-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC(C)(C)C[C@@H]2C)c1	155825813	QARZSUPSIIPWCO-GOEBONIOSA-N	245.410	4.930	0	10	BJAE	
CC[C@H](C)C[C@@H](O)c1ccc(C(C)(C)C)s1	166226624	GDFOTQQAWFCKAN-WDEREUQCSA-N	240.412	4.515	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)c1ccc(C)c2ccccc12	167651285	IHMOGGVDXSTQSP-SJKOYZFVSA-N	242.362	4.618	0	10	BJAE	
CCCNC[C@H]1CC[C@@H](CCC)C[C@@H]1CCC	219481429	RKYLLRKZFQKPMV-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCCC1(C)C	225986435	NLYFRJUURGVOLA-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1sccc1C	228739309	ZPFOKKZOUBHQDL-QWHCGFSZSA-N	239.428	4.663	0	10	BJAE	
CC(C)=CCN[C@@H](C)c1ccc(C(C)(C)C)cc1	228837628	ADRFYZRHZJMXDA-AWEZNQCLSA-N	245.410	4.601	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC1CCCCC1	229172661	YNNDPXBSEJHVMR-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(O)ccc1-c1cccc(C2CCC2)c1	229655887	YUIOGESFZYDNSY-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C2CCCCCC2)C1	231014132	KHSVLWUELQINTC-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCC[C@H]2CC)C1	251589776	CPTRUWUTXYTNAQ-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CCc1ccc(C(=O)C[C@H](C)CC(C)C)s1	301012162	YZTVODQTXJOXDD-LLVKDONJSA-N	238.396	4.566	0	10	BJAE	
Cc1ccc([C@H](O)CCCC(C)(C)C)cc1C	302248589	BJIBOXRGHJNZFD-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CCc1cc(NC2C[C@@H](C)C[C@H](C)C2)ccc1C	302275598	IAVCXFKRKOSBTD-STQMWFEESA-N	245.410	4.794	0	10	BJAE	
Cc1ccc([C@H](N)CCCC(C)(C)C)cc1C	302330194	SGXKWHJLGBZKSO-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CC(C)CCCCCCNC(C(C)C)C(C)C	302609743	KVMWKDRVSVMAOY-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@](C)(O)CCC1CCCCC1	304444538	WBXHMDOCGJILRQ-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCc1cc(N[C@@H](C)CC2CCC2)ccc1C	306047074	TYSOGRVMYBICDD-ZDUSSCGKSA-N	231.383	4.548	0	10	BJAE	
CCOc1cc(Cl)cc2c(Cl)csc12	307134171	ZZCWGLKOODVKFP-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CCC1CCCC1	308060598	YFSXDDVESDLZPO-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCC1CCCC1	308061550	SIRRDGLBTXAKBG-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@@H](CC)CC(C)C	308093173	JHBARYYWCVEUOD-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1cccc(C)c1	308114017	RXAQKWKUIMKMIR-AWEZNQCLSA-N	232.367	4.640	0	10	BJAE	
Cc1cc(C)cc(O[C@H]2C=CCCCCC2)c1	310057769	ASGASDMKUXJTIY-HNNXBMFYSA-N	230.351	4.571	0	10	BJAE	
C[C@H]1C[C@@H](CC2CCCC2)Nc2ccccc21	310214672	VRCAGOBXKRRNDI-JSGCOSHPSA-N	229.367	4.555	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCCCF)NCCC	310311951	QXCZDVFQOYAYLQ-LSDHHAIUSA-N	245.426	4.711	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCC[C@H](C)C2)cc1C	310728453	CVDNNDMQSSIPGR-WFASDCNBSA-N	244.378	4.703	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@@H](C)C1CC1	311241092	WOZLPSYWQBGDCS-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCCCC2)CC[C@@H](C)C1	317492102	SXJPTQMFWOLZDS-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1ccc2ccccc2c1	319283180	DVTRUYBEZVROOX-DCGLDWPTSA-N	242.362	4.555	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H](C)[C@H](C)CC	319652106	RPGZKHFEWJZQCU-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](N[C@H](C)C1CCCCCC1)C1CCC1	322396190	QFOHUALPMCPZCS-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](Nc1ccc(Cl)cc1)C1CCC1	322821162	GXNXDMBKNVJQTB-CQSZACIVSA-N	237.774	4.721	0	10	BJAE	
CC[C@H]1CC[C@H](c2nc3ccc(C)cc3[nH]2)CC1	328294696	VWVIZXARLUFNCY-JOCQHMNTSA-N	242.366	4.555	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)CCC2CCCC2)C1	379998468	WYXNWFYCYOGRGC-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1ccc(CCC)cc1	380640490	SRSRYNCDOCGYOF-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCC1(CC(=O)c2cc(C)c(C)s2)CCC1	381603378	HWVVWDKZZQVXOK-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CC[C@@H]1CC[C@@H](O)[C@H](CCCCCC(C)C)C1	383185786	VRWNKTDBAZKVMA-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(O)(C[C@@H](C)C1CCCCC1)C(C)C	383575358	DCCADHOQKKNJCP-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CCC2=CCCCC2)C1	384880108	UHMIAIRIYRSTBS-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CC/C(=C\[C@@H]1CCC[C@@H](CC)C1)CNC(C)C	394514382	LOCDHWAKDOZOGT-FHFYFLQVSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](O)([C@H]1CCCC[C@@H]1CC)C(C)(C)C	395416401	KCZBRDZOZAJESP-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@](O)(C1CCCCCC1)[C@H]1CC1(C)C	397586338	AOQKWHMPHQIOOE-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](Nc1cccc(CC)c1)[C@H]1CC1(C)C	397589259	IBXWHAFKUIJRJH-HZPDHXFCSA-N	245.410	4.876	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@@H](C)C1CCC1	398621726	FUVRWNBWUPVCDV-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@](CNC(C)(C)C)(CC2=CCCC2)C1	401070663	IKEHNKLZBNUGFN-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CC[C@H]2C[C@@H]2C1	403610887	IRPHMHYGMZRNIE-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
N[C@H](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCCCC1	403808217	HGYKPUOUFDYNTJ-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCCC1CC1)CCC1CCCC1	405749295	RFSWJFJURHVSSO-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(F)(F)C(C)(C)Nc1ccc2ccccc2c1	405910206	FWIBHDULNHKQNY-UHFFFAOYSA-N	249.304	4.686	0	10	BJAE	
CC[C@H](CC(=O)C1CCCCCC1)CC(F)F	688869874	VIUJOSRGFLUMST-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)CNCC[C@@H](C)c1cccc(C(C)C)c1	688970042	CIAPSVDHTPASOH-OAHLLOKOSA-N	247.426	4.549	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(O)C1CCCCC1	691127795	MSZIDUNOEKFQKC-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CC1(CO)CC2(CCC2)C1	691912272	NOUPPZIMCBRBGC-AWEZNQCLSA-N	238.415	4.536	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@]12CCCC[C@H]1C2	693286914	DTKDTLFPHIRHSW-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CC1(CNC[C@@]23CCCC[C@@H]2C3)CCCCCC1	693552224	XVZREGBOXGTPLU-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@H]1CCCC2(CC2)C1	695939455	YOCUVWKAIVQRDA-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCC[C@H]2C2CC2)CC1	696106288	BGDNUXKUXDTZPW-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)c1ccc(CC)cc1	696260671	ZSCLETGSQLHEIB-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)CCC=C(C)C	697768301	YDEJTBJRXAWSBY-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H](C)CCC	697776858	BHWGDEJAHKURGD-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
C1CCCC(CCNC2C[C@H]3CC[C@H](C2)C3)CC1	697957123	TWTOTGZTUZLZRV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C/C=C/[C@@H](NCCC)c1ccc(C(C)(C)C)cc1	704639427	HULMDTPMFLIBME-IQIBNGDESA-N	245.410	4.601	0	10	BJAE	
CC[C@H](C)c1ccc(OCCC=C(C)C)cc1	704871336	OWPOKFRRNZVILQ-AWEZNQCLSA-N	232.367	4.935	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1CCCC[C@H]1C	704961833	BFEGSKWDGWSYSI-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CCSc1ccccc1N[C@@H](C(C)C)C1CC1	705375319	YIBKYCADNUROIJ-HNNXBMFYSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@H]2CCC[C@@H]21	707733957	SCWSOQDPUWMLQP-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(N)(C[C@H](C)CC(C)(C)C)CC1	709147195	SCLDDUSEBPTNGG-VQCLRJIVSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(N)CC1CCCC1	709160679	GHKZFDQEHAQJSE-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCCC(=O)c1ccn(C[C@H](C)CC(C)(C)C)c1	709217147	SVRRZKBIZTVJSR-CYBMUJFWSA-N	249.398	4.543	0	10	BJAE	
CC1CCC(C[C@](C)(N)[C@]23CCCC[C@H]2C3)CC1	709278170	OWIMBYUGWDSUIE-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@H](NC)C2CCC3(CC2)CC3)CCC1	709938728	JFQPIDASKRADMK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@H]2CCC(C)(C)C[C@@H]2C)cs1	710757409	FMDQOMJKDVVXFR-GWCFXTLKSA-N	237.412	4.683	0	10	BJAE	
CC[C@H](C[C@H](N)c1ccc(C)c(C)c1)C(C)(C)C	711053321	MFDIOGNVQZAFES-CVEARBPZSA-N	247.426	4.766	0	10	BJAE	
CCN[C@@H](C[C@@H](CC)C(C)(C)C)C(CC)CC	711071739	OLIRQLJJCQWPSJ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@H](CC)C(C)(C)C	711174645	CPNZCCRDICNOQU-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](CC(=O)[C@@H]1CCC[C@H](C)C1)C(C)(C)C	711186221	BOUCLSGPFCXTQC-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H](C)C(C)(C)C	711194078	AAPDDAFREUMKNX-QWHCGFSZSA-N	226.404	4.844	0	10	BJAE	
CC[C@H](C[C@@H](CC1=CCCC1)NC)C(C)(C)C	711197888	ZQZYSLVTWSSDCL-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@H](C)C(C)(C)C	711208178	LDJQZESONTWCHP-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCC1CCC(N)(CC(C)(C)CC)CC1	713229546	DJKWWZIZVALNQD-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CC[C@@](CNC(C)(C)C)(CC(C)(C)C)C1	713320552	XKVTXRRWPBSGLE-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CCC[C@H](CC)CC(F)F	713678092	MLQKPSKZSXEYDY-GZTOBOFZSA-N	202.288	4.580	0	10	BJAE	
CCCC(CCC)N[C@@H]1CC[C@H]2CCCC[C@@H]21	714303394	JFXGTLOKSWDIOP-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CCc1ccc(OC(C)C)cc1	718649520	VDMZWNKXQCDFMH-UHFFFAOYSA-N	232.367	4.763	0	10	BJAE	
CC[C@@](O)(CCC(C)=C(C)C)c1cccc(C)c1	718685098	BZAFMNLEWOVKMR-QGZVFWFLSA-N	246.394	4.729	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1C=CCCCCC1	718966420	OAQANLJVRVPTJY-HOTGVXAUSA-N	249.442	4.824	0	10	BJAE	
CNC[C@]1([C@@H]2CCCC[C@H]2C)CCC=CCCC1	719045058	AJHATAULSLKQAV-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)C1(C)CCC1	720740849	UPWFZKPYPJLKGV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(CN[C@@H]2CCCC3(CC3)C2)CC1	723559155	FHMINXPMHLPKMS-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC(C)CN(CCC1=CCCCC1)C1CCCC1	1190570251	BAVUKPLKGWWPLI-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
Cc1cc(S[C@H](C)C(C)C)nc2ccccc12	1307261756	AXVDEBFNDVHOBI-GFCCVEGCSA-N	245.391	4.680	0	10	BJAE	
CCC[C@H](C)CCNc1nc2ccccc2s1	1612830615	RZBSXMSTZBZTCB-NSHDSACASA-N	248.395	4.535	0	10	BJAE	
CC(C)CC[C@](C)(O)CC1CCCCCC1	1901056058	UDQHOFNNEDIQSD-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCc1cccc(CC(C)C)c1	1901884581	KGQSKGTVGNQOFQ-UHFFFAOYSA-N	218.384	4.864	0	10	BJAE	
C=CC=CCC[C@H](N)C1CCC(C(C)(C)C)CC1	1912136468	JLGMYHBVFUADBP-GPANFISMSA-N	249.442	4.689	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1CCCCCF	1913387431	YERQYDGWDABEFW-CQSZACIVSA-N	242.378	4.836	0	10	BJAE	
CCCC1CC([C@H](N)C[C@@H](C)CC(C)(C)C)C1	1921272754	PFBONRQHKRUNLL-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@H]2CCCC23CCC3)C1	1921605023	QTXIOBIVZKXQHZ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](CN)CC(C)C	1938138918	YCXHDLRJFUYEPM-HUUCEWRRSA-N	227.436	4.604	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC[C@@H]1CC1(C)C	1940856435	OEPAMJKEMXSPAZ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCCCCC(C)C	1941267030	NDHKIKRXPNEETN-HZPDHXFCSA-N	241.463	4.993	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H](CC)C(C)C	1941274140	XCLYOUHLWFPDGM-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C1(C)CC(C)C1	1941979254	BZENCYBEOBDNPB-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CCCCCCC(=O)[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C	1942443806	NCPHGNQCDYGSSH-YDHLFZDLSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc2ccn([C@H](C)CCC(C)C)c2c1	1942663056	RTWKGIXWTZHLRT-CQSZACIVSA-N	229.367	4.947	0	10	BJAE	
CC[C@H](NC[C@]1(C)C=CCCC1)c1cccs1	1943134869	GMHPMNQEZLIWGW-DZGCQCFKSA-N	249.423	4.535	0	10	BJAE	
CC[C@H](CC(=O)C[C@H]1CCC[C@@H]1C)C(C)(C)C	1944796788	IFJADCXDGHAGKL-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CCC(=O)C12CCC(CC1)C2(C)C	1945633587	DEEAOAIDEWUHKG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1cccc2sccc12	1945956287	FPDTWPGDEUTWRK-NHYWBVRUSA-N	247.407	4.583	0	10	BJAE	
CCCCC[C@@H](NC)c1cccc2sccc12	1945958010	JAERZGQMYUDMMY-CQSZACIVSA-N	247.407	4.742	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1cccc2sccc12	1945969567	GOCPJCORLGVZKK-IAQYHMDHSA-N	248.391	4.617	0	10	BJAE	
CC(C)CCCN[C@H]1CCCC2(CCCC2)C1	1946448704	ADTNLMKNWKQLLF-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCCC12CCC2	1947879358	BTATWVWIEGPQJW-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)NCC1CCCCCC1	1948326420	JEZZXNMDUVVPTK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@H](C)CC1CCCC1	1948329230	ZAPUXRWJZFGMSZ-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)CC1(C)CCC1	1948974202	JKGSYUCQCJWZLC-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](N)(CCC[C@H]1CC1(C)C)C1CCC1	1949053200	FTIHZRITUAJQRE-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]1C[C@@H](N)C1CCCCCCC1	1949059440	CSDBKENKPJQHMU-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H]1C[C@@H](CCCC(C)(C)C)CCC1(C)C	1949654299	SLMHBXFYJMPPBC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC[C@@H](N)CC1CCCCC1)C(C)(C)C	1949906914	IZKVKHFMUBCEOJ-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCCC1(O)C[C@@H]2CCC[C@H]2C1	1950287825	RBTBIEIKFXZUPL-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(Cl)cc(-c2ccc(N)c(C)c2C)c1	1950607442	LQRQBPVSWVOHPU-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC(C)=C(C)CCCC[C@@H](C)C(F)F	1955138116	MAKWRHBEPCCDND-LLVKDONJSA-N	204.304	4.804	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCCCC[C@H]1C	1962882943	UHGRFLJVYHVQEX-PMPSAXMXSA-N	237.431	4.680	0	10	BJAE	
CC(C)C[C@@H](C)CNc1ccc(C2(C)CC2)cc1	1967845786	NLIFDEJVZJQUTP-CQSZACIVSA-N	245.410	4.832	0	10	BJAE	
c1ccc(-c2ccc(NC3CC4(CC4)C3)cc2)cc1	1968279881	XVEIZEVRGVFCPP-UHFFFAOYSA-N	249.357	4.708	0	10	BJAE	
CCCc1ccccc1OC[C@H]1CCC2(CC2)C1	1968624842	UDKLREXRIQDQRG-AWEZNQCLSA-N	244.378	4.598	0	10	BJAE	
CCCC[C@H](CC)N[C@H](CC)c1ccsc1	1970831828	ZRRJGYUSVMSMQV-UONOGXRCSA-N	239.428	4.758	0	10	BJAE	
CCCCC1CC(N[C@H]2CCCCC23CCC3)C1	1972828572	CRXKMTZOQNVIBY-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(N[C@@H](C)C2(C)CCCCC2)cs1	1975573027	IHWHVLOMOVUGGA-LBPRGKRZSA-N	237.412	4.827	0	10	BJAE	
FC(F)c1csc(C[C@H]2C=CCCCC2)c1	1977100882	HHLQDLROLFAXKO-JTQLQIEISA-N	242.334	4.975	0	10	BJAE	
CCC1CCC(CNc2csc(C)c2)CC1	1980200071	JCMSGIPASGABDN-UHFFFAOYSA-N	237.412	4.685	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CCCC(C)(C)C)CC1	1984462841	TWPYGTPEJOQBDJ-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCCC(C)(C)NCCC1CCCCC1	1987101148	DUWMTBGMQBHPDF-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CCCC(C)(C)C	1988780668	NCVRXFRASIPHMN-OAHLLOKOSA-N	225.420	4.667	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CCC1CCCCC1	1989856058	VDQJGDLUVHXDQR-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@H](CC)NCC1(C)CCCC1	1990093326	JTLAHVQRKGWGGK-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCCCc1ccc([C@H](CC)NCC)s1	1991778482	PIWOEVHPQWYLHA-ZDUSSCGKSA-N	239.428	4.541	0	10	BJAE	
CCCCCCC(=O)CCCCC(C)(F)F	1993586108	VZDAFRPXZFSCIS-UHFFFAOYSA-N	234.330	4.742	0	10	BJAE	
FC(F)(F)c1cc(C2CC=CC2)ccc1Cl	1995147237	FVODWNPTCIEORM-UHFFFAOYSA-N	246.659	4.792	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1ccc(C)s1	1995263895	SSSDZPGJKMDLND-AAEUAGOBSA-N	239.428	4.663	0	10	BJAE	
CC(C)C[C@@H](C)CN(C)[C@H]1CCCC(C)(C)C1	1995835794	PDACUSXWSRGVAY-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H](C)C1(C)CCCCC1	1995987212	SAYPESAWHHDSBB-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H](C)C1CCC(C)(C)CC1	1996552287	LANSNZYPGBYKEN-KBPBESRZSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(CC)[C@@](C)(O)C1CCC(C)(C)CC1	1996554392	SKUXBRFOHASRII-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@](C)(CNCC)CC1(C)CCCC1	2000503732	AEPAXVKDYDXCNZ-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@H]1C=CCCC1	2000508693	LJZQZIUGMWONFE-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@]2(O)C[C@@H]2CC)CC1	2003104836	ZEKPNXDCNZSAPA-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCCCCCC(=O)CC1CCC2(CC1)CC2	2003276946	DXCWCDMBIVSDIU-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1(C)CC(C)(C)C1	2004229850	VBZNCRWPLMMGOP-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1C[C@H](CCC(C)=C(C)C)CC[C@@H]1C	2006955681	CEDAZZGBZSBRCG-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(O)CC(CC)(CC)C2)C1	2009299331	OYEWSUYFCJEPST-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(CCC1(C)CC1)CC1CCCCC1	2009547787	MSZHBYIXAPYCDA-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H]1NCC[C@@]1(CC)C1CCCCC1	2009774729	UHJGHUNBCZRAFZ-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCCC1CC(N[C@@H](CC)C[C@@H](C)CC)C1	2009791639	ORFBEENMHJDWIG-UIDBIOKJSA-N	239.447	4.760	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](CC)CC1)C(C)(C)CC	2010713538	DYDBPEKUCIBHSC-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](N)C1=CC[C@H](C(C)C)CC1	2010763225	KVPQPRJRCVVZDW-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC[C@](C[C@@H](C)CC(C)(C)C)(C(=O)O)C(C)C	2012438985	BURVGELZBJYVHX-SWLSCSKDSA-N	242.403	4.586	0	10	BJAE	
CCCN[C@H](CC)c1sc2ccccc2c1C	2014291319	KVNNBMGSXLTYHB-CYBMUJFWSA-N	247.407	4.660	0	10	BJAE	
CC(C)(C)CC1CC(O)(C2CCCCCC2)C1	2014667540	DJEDPXDHUBEBCJ-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)CCCCCC1CC1	2014891894	MJRQVUPNTSQEEC-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](N)C1(C)CCC(C)(C)CC1	2015271580	ASXCULQXCOOEEE-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)CC(=O)[C@@]12CCCC[C@@H]1CCC2	2015388625	WOUBSERAKTVWFY-IIAWOOMASA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](O)C(C)(C)C(C)(C)C)CCC1	2015633550	HACYAACFMNXTIV-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@@H](O)CC2CCCCC2)CCC1	2015640576	UCKASXQNFVAAJX-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@]2(C)C[C@@H]2C)CC1	2016417256	IJWZIXXBCJIHBY-KNCOVGOOSA-N	236.399	4.598	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CC[C@@H]1C1CCC1	2017045867	WBPYSPPKZRRMEM-DOMZBBRYSA-N	249.785	4.639	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H]1CCC[C@@H](C)CC1	2017474339	CIQATLYXIOBPPR-FVQBIDKESA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C[C@@]2(O)CC[C@@H](CC)C2)CC1	2017649475	WIBVBKZQSGFJAZ-GYTBAZASSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(C[C@H]1CC[C@H](CC)CC1)C1CCC1	2017653523	UPEHXJJETOVKQS-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC)CC[C@]12CCCC[C@@H]1C2	2018577753	KSSKMRZRPXPHDM-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@]12CCCC[C@@H]1C2	2018618026	ADDVWGFAXUNPBJ-MLGOLLRUSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC2(N)CCC(C(C)(C)C)CC2)CC1	2018982775	PZZGWOUFLALBMZ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CC[C@@H](C)[C@H](C)C1	2019125753	DRCWGGAYRGTDOW-IIAWOOMASA-N	239.447	4.569	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC1(N)CCCCCCC1	2022495068	GJLYIJJQMGDXKE-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1CCC[C@@H]1C	2023324969	OJYPMLLECAREHF-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@H](C)CC[C@@H]1CCCC(C)(C)C1	2024091690	KMYLYOYGGPIBFP-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(C[C@H]2C=CCCCC2)c(F)c1C	2024318080	RAOGETFSUOLVAY-AWEZNQCLSA-N	232.342	4.731	0	10	BJAE	
O=C(CCC1(F)CCC1)C1CCCCCCC1	2025235932	GOCBJMQOQWIWCV-UHFFFAOYSA-N	240.362	4.588	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@@H](C(C)C)C1	2025635848	XTTPEWNTLIYDMK-OWCLPIDISA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CC=C(C)C)NCC	2026057988	BJHCPTQFRLPTSA-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@@H](C=C(C)C)c1ccc(C2CC2)cc1	2029073041	AMCHYWFSXFSTDB-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1C[C@H](C)c2ccccc21	2029967900	WYXXSYKVNSHVOG-GRDNDAEWSA-N	245.410	4.651	0	10	BJAE	
CN[C@H](CCCC1CC1)[C@]12CCCC[C@@H]1CCC2	2031759837	JNWLQUSGPJYPQV-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CCN[C@@H]1CCCCC12CCCC2)C1CC1	2032224067	LXBZOBHARGQRJC-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(CN)(CC2CC3(CC3)C2)CC1	2036723931	HTIVYEPZRVAZBQ-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](CC1CC2(CC2)C1)C1(C)CCCCC1	2036756761	UCVTVXYKSRETGV-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(C2CC3(CC3)C2)CC1	2037306089	YBINLXNJENTDFL-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2CC3(CCC3)C2)C1	2037975449	XRSUBGLCQRPOHO-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@](N)(CC1CC2(CCC2)C1)[C@H]1CC1(C)C	2038079384	VBFXJORBQSUDQE-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(C1)CC(N)(CCC[C@H]1CC1(C)C)C2	2039462385	RWRSFOHFSYCRJJ-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1CCC(CC)CC1)[C@@H]1CC=CCC1	2042024558	MUBWHOBSCCXTQD-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CCc1cccc(C)c1NC1[C@H]2CCC[C@H]1CC2	2042046796	FCLLKSFJYMZWQD-GJZGRUSLSA-N	243.394	4.548	0	10	BJAE	
CC[C@@H](C1CCC1)N(C)C[C@@H]1CCC=CCCC1	2045311312	IXPAQFHLPUQLSE-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
Cc1ccc(OC[C@H]2CCC=CCCC2)cc1C	2045315487	UWQKUAHJOIBMEI-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
CN([C@H]1CCCC(C)(C)C1)[C@H]1CCC12CCCC2	2045525518	VIJWJMQPFNJGNJ-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CCC[C@@H]2CC2(C)C)C1	2045561060	CTDFYFGKHSAXKP-NWANDNLSSA-N	248.410	4.764	0	10	BJAE	
CCc1ccc(N(C)C[C@@H](C)CC(C)(C)C)cc1	2046568873	QJMMCCQCQFHLDD-AWEZNQCLSA-N	247.426	4.758	0	10	BJAE	
CCN[C@@H](C[C@H]1CC12CCCC2)C1(CC)CCC1	2047017613	XBAIUIUUPIBZCO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(C[C@H]2C=CCC2)CCCCC12CCCCC2	2047558351	CGNQWPJCMZXCSC-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C[C@H]2CCCC3(CC3)C2)C1	2049857088	PNEZJOUJKJIARR-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@@H]1C)[C@]1(C)C=CCCC1	2049996812	JJEWYQHGYDAAMO-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CCC([C@@H](N)[C@@]2(C)C=CCC2)CC1	2050001609	ZTUYXZQCKXVTML-BOXZVXIZSA-N	249.442	4.523	0	10	BJAE	
CCNC[C@@]1(CCC(C)=C(C)C)CCCC12CC2	2053355204	IOAGCZPXWMROAN-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H](N)[C@H]1CCCCC12CCC2	2053409736	HEHXSPXEDJIONB-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1N(C)C1CC2(CCCCCC2)C1	2055268377	BVENMYGGSYRJCR-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C2[C@H]3CCCC[C@H]23)CC1	2056538337	UXCLNFUWHMJYMB-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C2(C)CCC(C)CC2)c1	2056563344	XHBKPUPQEFRIHO-PTXATLKXSA-N	245.410	4.520	0	10	BJAE	
CCCC1CC([C@@H](N)C2=CC[C@@H](C(C)C)CC2)C1	2061136785	CULAVGURGAGVBN-CPBWPMLKSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@H]1C[C@H]1CC	2061139135	CQJNMTQMTUWOLH-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
c1cc(CC2CC(=C3CC3)C2)ccc1CC1CC1	2061717742	AXTFARGPAMFDAZ-UHFFFAOYSA-N	238.374	4.682	0	10	BJAE	
CCC1CCC(C(=O)C23CCCC2CCC3)CC1	2063853760	XKNSFSHVZDTJSY-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2068709742	DKNWZYZUJNAAQY-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C[C@@H]1CC12CCC2)C1CCCCCCC1	2069200514	IQAHNFOYLONRQG-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@@H]3C[C@@H]3C2)CC1	2072800952	JHVHTNHZATVITD-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C2CCCNC[C@@H]2C)CC1	2072820676	JCVUGEGJGZIJLD-FHERZECASA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@@H](CC)NC1CC2(C1)CC21CCC1	2073344104	BIAXLJYYUOXPKB-HPUBIQBYSA-N	249.442	4.658	0	10	BJAE	
CCC1(C[C@H](N)c2ccccc2C(C)(C)C)CC1	2074566055	GUMFRKNWENBPHZ-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2077196971	OUTPQMKJJSDXDK-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CC1)[C@H]1CCC1(C)C	2077262055	KYBVXMZNUCYVDJ-IUODEOHRSA-N	243.394	4.801	0	10	BJAE	
FC1(CNc2ccccc2C2CC2)CCCCC1	2077264748	ZHCNZABRUVLZNB-UHFFFAOYSA-N	247.357	4.648	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@H]2C[C@H]2C(C)C)cc1	2079490299	AUMVUHQFILLTAY-RCBQFDQVSA-N	244.378	4.675	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	2079866255	RLOAVUSYJUSIET-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C=C1CCC1)C1(CC(C)C)CCCC1	2080254180	BGNDATNVWPBTNJ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C)c1cccc([C@H]2C[C@H]2C(C)C)c1	2082715853	UPWDSCFDYFGLHY-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CCC1([C@@H](N)c2cccc(C(C)(C)C)c2)CCC1	2083550366	MXIYGGXHXFFJNY-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CCCC[C@H](CC)CNC1C2(CCC2)C12CCC2	2083558670	HHAXFTGGVWAOKC-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(N)CC[C@@H](C(C)C)C2)CC1	2085306980	FETKSYGPNWXENR-BFYDXBDKSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1CC[C@@H](CC/C=C/c2ccccc2)C1	2210663078	XGXRKZNWLFCTHD-YORMDBTCSA-N	214.352	4.916	0	10	BJAE	
C[C@H](CCCC=Cc1ccccc1)C(F)F	2210663268	ZPRJWZXJCUEXIN-GFCCVEGCSA-N	224.294	4.771	0	10	BJAE	
CCCCCC(CC)(CC)CN[C@H](C)CC	2212598063	SLCBXNCKHPXLNZ-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
C[C@@H](CCCCCCC1CC1)[C@@H](C)NC1CC1	2213576496	QHINGRWIKJWBFF-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)CCCCCCC1CC1	2213578598	NXAXMWGEGKBVOP-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCCC[C@@H]1NCCCCCCC1CC1	2213583363	RDTZHOOTBSREGT-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C[C@H](C)CC	2214570144	QJCOJQXGLAXMOW-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1CC)C(C)(CC)CC	2215253034	OCJZCGQMGPPIBB-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CN)CCCCCCCC1CC1	2216862083	XGUVCNAUWKQIGA-MRXNPFEDSA-N	239.447	4.892	0	10	BJAE	
CCC[C@H](C)[C@]1(CN[C@H](C)CC)CCC[C@H]1C	2217125960	RZIJNBSTIUFTBN-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C/C=C/c1ccccc1	2219045073	ZGMQBRHSTZENBX-VGMNTSGFSA-N	246.394	4.667	0	10	BJAE	
C(=Cc1ccccc1)Cc1cccc(C2CC2)c1	2219076589	RPOBDYNYZYQMCQ-UHFFFAOYSA-N	234.342	4.820	0	10	BJAE	
CCCCN(C/C=C/c1ccccc1)[C@H](C)CC	2219078879	RZLWGHBJXHENBZ-QSOAKEGCSA-N	245.410	4.600	0	10	BJAE	
C(CCN1CCCC[C@H]1C1CCCC1)CC1CC1	2220014165	QELQMWQCAXENRY-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1ccc(C(C)(C)C)cc1	2220927745	KFTNBIOUPVSJCI-KGLIPLIRSA-N	245.410	4.832	0	10	BJAE	
CC1(C)CCC[C@H](CNC2(C)CC3(CCC3)C2)C1	2220976384	SBIZZZJGLAAAFT-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CC2(N)C[C@H]3CCC[C@@H](C3)C2)C1	2221018132	YFJAOOGWMLOGRR-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@]2(N)CC(C)(C)C2(C)C)CC2(CCC2)C1	2221024467	BGTYROPSOBBJRK-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@H](C)C1CCC1)[C@@]1(C)CC=C(C)CC1	2221616830	VZSDCIOOUAZTMA-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](NCCC2=CCCC2)C1	2222269708	WRGQBZKRSMBOOT-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC1(NC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1	2222933167	KHZDXRPNHUGGJD-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(c2ccccc2C/C=C/c2ccccc2)CC1	2226205181	BUFRJEHFYIRWEC-JXMROGBWSA-N	248.369	4.994	0	10	BJAE	
CC[C@@H](C(=O)c1cc2ccccc2s1)C(C)C	2246904572	DXUGXKAERNCNJV-GFCCVEGCSA-N	246.375	4.766	0	10	BJAE	
CCCC1(NCCCC[C@H]2C[C@@H]2C)CCCC1	2247113680	FFPOJWDMDMVMLB-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@](C)(N)CCC(C)(C)C	2247172560	AYHDGPYRQYBTLC-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)[C@H]1CC12CCC2	2248308927	PIIFAJYCHQMOHO-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]([C@H](C)CC(C)C)[C@H](CC)CCC	2250354997	ITGJLYNIBMNZBY-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC(C(C)C)C(C)C)NC	2250360771	IOIHMBVGIFJIAK-ZBFHGGJFSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC(C)(C)C(F)(F)CC	2250386060	UBWACIYXDBSKIX-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@H](O)CC[C@@H](C)CCCC(C)C	2250478004	DKFAVFLCQUZFAU-XUWVNRHRSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@@H](C)CC1CC1	2250489162	VZFUDUADASNOEY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NC)[C@@]12CCCC[C@H]1CC2	2251106975	TWLIMLGLEGWVIO-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](O)CCC2CC(C)C2)CCC1	2251760769	HRSAFEPTFCRDSL-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](N)(CC)c1ccc2ccsc2c1	2253068245	QOQFQZBIEWQEDM-OAHLLOKOSA-N	247.407	4.656	0	10	BJAE	
C[C@@H]1N[C@H](C)CC[C@@H]1CC[C@H]1CCCCC12CC2	2253853629	KWDZFUDPBWJOOD-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CC2(CCCC2)C1)c1ccc(N)cc1	2254083555	FKGJLCMGMUOTBX-ZDUSSCGKSA-N	243.394	4.733	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNC1(C2CCCC2)CCC1	2254530823	KQQPYPQKOVVKRW-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@@H]2CCC23CCC3)C1	2255023811	BCWAZDZQSRYGHW-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](CN)[C@H](CC2=CCCCC2)C1	2255096883	NHEDFVCVIPBGMO-IXDOHACOSA-N	249.442	4.524	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CC1=CCCCC1)C2	2255134857	YJFUWXJKWPKEBW-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C[C@H](CC[C@@H]1CCCC12CC2)[C@H]1CC[C@@H](N)CC1	2255238444	XKOWNTJIUFRRPP-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(NCC[C@]23CCC[C@@H]2C3)cc(C)c1C	2258244570	JLHOFCFYOKDXHM-WBVHZDCISA-N	243.394	4.604	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@]23CCC[C@@H]2CC3)CC1	2260499997	HXZICYSSSVKOLM-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@]12CCC[C@H]1CC2	2260516003	KIXJQIUJXUZUBB-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC[C@]12CCCC[C@@H]1CC2	2260551834	WVFQYXDTMLDQJG-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC(C[C@H](N)[C@H]2CC=CCC2)C1	2261263774	JVVYUEILLIFVCK-CKUJCDMFSA-N	249.442	4.523	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1C[C@@H]2CC[C@H]1C2	2298226269	XOVNMPLLMYHNJT-GMXABZIVSA-N	249.785	4.503	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCC(C)(F)F	2300455260	FGYZGAZBWMOSQR-UHFFFAOYSA-N	241.325	4.576	0	10	BJAE	
CCC(CC)CC[C@](C)(O)C1CC2(CCC2)C1	2300676316	NGHDIFZODYFVCU-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCN(C)[C@@H](CC)CCC(C)C	2300682950	DZKSOBLBDOKIBK-INIZCTEOSA-N	241.463	4.959	0	10	BJAE	
CCc1occ(C)c1C(=O)CCC(CC)CC	2300697997	VLHLTKGPOTYZMD-UHFFFAOYSA-N	236.355	4.550	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H](C(C)C)CCC1=O	2300699281	FQAGDEPCUDHNFL-LSDHHAIUSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CCCC[C@@H]1C	2300877963	WKNQUBISEGKURI-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(=CCN1CCCC1(C)C)CCCC(C)C	2300888750	MQHXSQHKPKBYHD-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
Fc1ccc(CCC2=CCCC2)c(C2CC2)c1	2301285103	LPXDLSBUAZELCS-UHFFFAOYSA-N	230.326	4.746	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C)[C@@H](C)C(C)C)cc1	2301825717	NMVLCNUSGWDVHJ-KBPBESRZSA-N	233.399	4.903	0	10	BJAE	
C[C@@]1(O)CCC[C@@]1(C)CCCC1=CCCCC1	2302351715	LPLCJSUOPCGNHD-HZPDHXFCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CCCC2=CCCCC2)C1	2302362481	ZLXNQQYTOSHMQK-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(C)(CC(=O)CCCCC2CC2)C1	2302579891	NUSYAYSYQYEYID-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@]2(C)C=CCCC2)C1	2302756411	SYWDOMJOMSDJBZ-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@@H]1CCC(C)(C)C1	2302765712	MNTKWFQZADZQCK-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCc1cscc1NC[C@@H]1C[C@@H]2CCC[C@@H]2C1	2302883129	RXURORBDSOCCGS-UBSAEIQESA-N	249.423	4.549	0	10	BJAE	
CCc1cscc1N[C@@H]1CCCC[C@@H]1C1CC1	2302889019	FXTDRCGTFHPETM-ZIAGYGMSSA-N	249.423	4.691	0	10	BJAE	
C[C@@H](C[C@H]1CCC(C)(C)C1)c1cccc(N)c1	2302900790	VUYNAUFDSBMCOZ-QWHCGFSZSA-N	231.383	4.589	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303472126	ORIGAYVLFDUKRG-MELADBBJSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1CCC(C)=C(C)C1	2303516299	NUOYXKDWESDFNT-LSDHHAIUSA-N	236.399	4.908	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)C[C@@H](CC)C(C)(C)C	2303588045	VICLSCFOQWNAIL-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(O)CCCC2(C)C)C1	2304398679	GMLAXZMTIJJSQV-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC1CC([C@H](C[C@H](CC)CCC)NC)C1	2307905444	XCRBTTZUFRQVSI-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@]12CCCC[C@H]1CCC2	2308255318	VMCPZAKMSMHDMT-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309181360	YNLYNFKGBXJHNP-UGUYLWEFSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(C[C@@]23CCCC[C@@H]2C3)C1	2311150181	ZTBUFDDOUDYQLE-FSDCSDTHSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](C[C@@]23CCCC[C@@H]2C3)C1	2311162626	RQGHDWFERMOHHN-KLZNWCGWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1C[C@H]1C1CCCCCC1	2311538627	FJLNEMRRPAAQFL-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1ccc(C)c(CC)c1	2314714347	YPWRYPSTPYAEQZ-RHSMWYFYSA-N	247.426	4.644	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316690535	MPOAIVYIKYNBGJ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316790971	LEVKCOSJJUJHJC-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@]12CCC[C@@H]1C2	2317916001	UZHPUFPYLOZJDW-WBMJQRKESA-N	247.357	4.551	0	10	BJAE	
CCC(CC)CCC(=O)c1ncccc1C(C)C	2318012336	MEQRMYKNNPEACK-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
C[C@H]1CCCC[C@H]1N(C)CCCC1=CCCCC1	2318572902	LHCIFPBAGYVHEX-DOTOQJQBSA-N	249.442	4.778	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1C[C@H]2CCC[C@@H]21	2318586815	NCEANBMMZWDLSN-OWCLPIDISA-N	246.394	4.662	0	10	BJAE	
CC(C)CC1(C(=O)CC[C@H]2CC[C@@H]2C2CC2)CC1	2319731847	WXBQNOMSMCKUSN-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)C[C@]12CCC[C@@H]1C2	2320314968	ZGFYOQXXSCUGGA-GKLJAUDBSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@]12CCCC[C@@H]1C2	2320320394	NTMGVPAIMVUNRG-WBOJAVRRSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC(C)(C)C[C@@H]2C)CC1	2320338483	VYGVVNOIGPNCRN-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc(C(=O)CC2CC3(CC3)C2)c1	2320576649	UCFGGESOMCGKKH-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CCc1ccccc1N[C@H]1C[C@@H](C)CC(C)(C)C1	21520571	ZYDYOWNQTMNOJA-HIFRSBDPSA-N	245.410	4.876	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1ccc(CC(C)C)cc1	35459707	OIONKAYEZNGZHC-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@@H](c1ccc(C(C)C)cc1)C1CCC1	36820183	WZXIIGXRCLKEBC-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(F)c(Cl)c1	68986015	SUQWTGKHHRWHMG-SNVBAGLBSA-N	243.753	4.860	0	10	BJAE	
CCC[C@H](C)CCC[C@H](NCC)C(C)(C)C	70747420	KCPSMJOAWQKMAG-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@H]1CCCC(=O)C1	77397308	YFNBBNOVIHMSAY-ZDUSSCGKSA-N	244.378	4.519	0	10	BJAE	
CCc1ccccc1N[C@H]1CCCC(C)(C)C1	79971161	FRXWXIRYBOHGEX-AWEZNQCLSA-N	231.383	4.630	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@@H](CC)C2)cc1	80428012	VQEDUHICBRJQMZ-CZUORRHYSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H](NCCC)C1CCCCCC1	83779783	WISQLJWHMUKBSZ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2c(Cl)cccc2Cl)C1	83847981	YNGQIQJHLLNKAG-DTWKUNHWSA-N	244.165	4.594	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Oc1cccc(Cl)c1	85150571	CAGVCXJCHZPDCJ-RISCZKNCSA-N	238.758	4.688	0	10	BJAE	
C[C@H]1CCC[C@H](NC(C)(C)CC(C)(C)C)CC1	86886036	PVWXCNXLCDSGIX-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CCCC1CCC(C(=O)C2CCCCC2)CC1	87959409	WFCTWWQIDANZJI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](NCCC)c1sc(C)cc1C	88047753	NZDMORJSFJOEDF-CYBMUJFWSA-N	239.428	4.596	0	10	BJAE	
CC(C)c1cccc2cc([C@@H](O)C(C)(C)C)oc12	88072382	KRKAHNQOOLADTO-OAHLLOKOSA-N	246.350	4.636	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](N)[C@H](C)C(C)C)cc1	90482839	XYCNHDGJYAWOJD-CZUORRHYSA-N	247.426	4.666	0	10	BJAE	
CC[C@H](N)CC[C@H](C)c1ccc(C(C)(C)C)cc1	107537516	STMUBHCZHWGYTD-BBRMVZONSA-N	247.426	4.605	0	10	BJAE	
CC/C=C\C[C@H](C)c1cc(Cl)ccc1OC	107581350	BQAFMIJLVXFPMJ-GZTOBOFZSA-N	238.758	4.808	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H]1CCCC[C@@H]1CC	111746824	JHBNTESBHLVVCH-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](Oc2ccc3[nH]ccc3c2)C1	126527279	LOQQTNXKFIGVEE-OCCSQVGLSA-N	243.350	4.516	0	10	BJAE	
CCCc1cccc([C@H](N)C2(CC)CCCC2)c1	131623381	FEVIMVQFYQSQDI-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CCc1cc(CC)c(C(=O)[C@H](C)CC)c(CC)c1	147830963	SAXVDRHJYWYFCC-GFCCVEGCSA-N	246.394	4.603	0	10	BJAE	
CCCCCCC[C@@H](C(=O)O)C1CCCCC1	149482361	UDCIXXPNPRLQKM-CQSZACIVSA-N	240.387	4.628	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1ccc(C2CCC2)cc1	157638368	BIPCFOGNLGWDRM-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC(C)CCCC(O)(CC(C)C)CC(C)C	163706935	ANSOEKIFPVMCEY-UHFFFAOYSA-N	228.420	4.636	0	10	BJAE	
CC(C)NC/C(=C\C1CCCC1)C1CCCCC1	211493829	BRUWRCYXVOSYHC-SFQUDFHCSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc2c1NC[C@@H](C(C)(C)C)S2	214913233	FJYAEQCFPBDGAZ-ZDUSSCGKSA-N	249.423	4.742	0	10	BJAE	
CSc1ccc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1	221618251	BWXYBYHJXPFUPD-TYNCELHUSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)Cc1ccccc1	225970007	YBSWSSAKCCYZHX-NVXWUHKLSA-N	247.426	4.566	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)CCC1CC1	229552525	JWAMCPIRKTTWRD-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)Nc1cc(F)cc(Cl)c1	229990595	AWBLAGLIXIESKW-JTQLQIEISA-N	243.753	4.716	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C1=CCCCCC1	232554103	PZXJOYYXQGTVQM-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](NCC1(C)CCC1)c1ccccc1	232988016	DVRFPQCZBGFTKT-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CCC[C@@H](CC)NCCCCCCC(C)C	233286516	COTQFXCZTZAOPR-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](CC)Nc1c(C)cccc1CC	233347911	UMWFMCXUTKYVTC-AWEZNQCLSA-N	219.372	4.548	0	10	BJAE	
CC[C@@H]1C[C@@H]1N[C@@H](CC(C)(C)C)c1ccccc1	233915074	VEJIWYIFLMLBRD-KBMXLJTQSA-N	245.410	4.552	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2cc(C)cc(C)c2)C1	235394480	GMCBKLDVCKUOMY-LRDDRELGSA-N	243.394	4.708	0	10	BJAE	
C[C@H]1CCC[C@@H](c2c[nH]c3ccc(F)cc23)C1	235724487	MZLFMVAKYJQRHR-WDEREUQCSA-N	231.314	4.601	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C[C@@H](C)CC[C@H]1C	251281197	FCPDBJIULLPERS-XUWVNRHRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H]1C[C@H]1c1ccccc1	252908231	XVMZZNWOUOKQJJ-BPUTZDHNSA-N	244.378	4.576	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CCCC(C)(C)C)C1	300810392	FTCLSVUGSJJQDE-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCCC(C)(C)C)C1	300882854	OSOHZGRKYNHLQH-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](O)CCCC(C)(C)C)C1	305900932	BIZMUJLOFLQHDZ-AEGPPILISA-N	238.415	4.556	0	10	BJAE	
CN[C@H](CCCC1CCCCC1)C1CCCC1	310059953	KKHQOWDVJKFPBU-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C/C(=C\CCNCC(C)C)CCC1CCCC1	310060923	PLHQYJMGGQIWPX-VIZOYTHASA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CCC[C@@H](Oc2ccc(C)c(C)c2)C1	310324712	YMLHOBAGKTUYBJ-LSDHHAIUSA-N	232.367	4.651	0	10	BJAE	
CC(C)[C@@H](C)CNc1ccccc1C(C)(C)C	310497221	PZJWROCJPFKDOC-ZDUSSCGKSA-N	233.399	4.688	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H]2CC3CCC2CC3)C1	311054882	JCFPNLSPMMFOTF-WCMAUXFHSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@]1(CNCC)CCC[C@H](CC)C1	317125399	DFTYJUQOIWYPLA-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1CCC[C@@H](C)C1	379973063	NMXUGXNLNYSYKX-DOMZBBRYSA-N	232.367	4.509	0	10	BJAE	
CCCN[C@@H](c1ccccc1C(C)C)C(C)C	380207138	SNTZULDDAFPHIB-MRXNPFEDSA-N	233.399	4.507	0	10	BJAE	
CC1(C)CCC(CC2=C[C@H](N)CC(C)(C)C2)CC1	380925555	FJYFDONGUAWIQN-HNNXBMFYSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)CC2(C)CCCC2)CC1	383342919	SGULBSJCMZDFAW-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1CCC(C)CC1)[C@H](C)CC	383541273	UKWJNJIYXRECEU-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CCCNCc1ccccc1C1=CCCCCC1	385024624	DTQAYQGHRQOOEX-UHFFFAOYSA-N	243.394	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2cccc3ccsc23)C1	386219728	JMVYDTOUFDBPBU-YPMHNXCESA-N	245.391	4.892	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H]1C[C@H]1CC(C)C	387958222	CVIHEPNBBNDHKW-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)CNc1c(C)cccc1F	395142062	ZCXPELTWUMDUOV-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CCc1ccc(C(F)F)c2c(C)csc12	396198540	KJTAUAINDRUUFT-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CSc1cc2c(F)cc(C(F)F)cc2s1	396233231	DPULZCKCTGOYHO-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CC[C@@H](C)C1	402185839	ZPPVKQUJOCATNG-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)CNc1ccc2c(c1)CCCC2	404624272	BPUKVRNGNTUVNV-AWEZNQCLSA-N	245.410	4.660	0	10	BJAE	
C/C(=C/CCNCC(C)C)CCCC1CCC1	688381510	FGSZVURKGMUWNP-NVNXTCNLSA-N	237.431	4.539	0	10	BJAE	
CC(C)(CC(=O)C1CCCCCC1)CC(F)F	694654979	DWJOXRAVSKCJNI-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(CC)[C@@H]1CCC[C@@H]1CNC(C)(C)C	701144279	HFXRMFZTOIFALS-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](c1cc(C)cs1)C(C)(C)CC	701145881	XNTOAHPZKOCFSU-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)[C@H](C)CC(C)C)c1C	704738480	GHVUFJRNQXBVJE-DYVFJYSZSA-N	248.410	4.636	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)[C@]23CCCC[C@H]2C3)c1	709108234	FCXALNPXVGHGGZ-HLLBOEOZSA-N	243.394	4.684	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC1(C)C)[C@@]12CCCC[C@@H]1C2	709148526	JFERQZAHGMPPMP-HWMZRRJGSA-N	249.442	4.514	0	10	BJAE	
CCCC1(N[C@H](C)[C@@]23CCCC[C@@H]2C3)CCCC1	709164860	LIPJWZATEVPYHF-INMHGKMJSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)(C)C)CC(C)(C)C	709205611	RHOQJZZOKLYQDE-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)Nc1cccc(F)c1Cl	709699452	ZOVQGOSRWDCGGG-JTQLQIEISA-N	243.753	4.860	0	10	BJAE	
Cc1ccc([C@@](C)(N)C[C@@H](C)C(C)(C)C)cc1C	710757349	IBNIZHNKANQKKN-PBHICJAKSA-N	247.426	4.550	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C12CCC(CC1)C2	711096192	GJDXMPIZIVYHNN-HLIUYOAVSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](CC(=O)c1csc(C)c1)C(C)(C)C	711182547	XXNBJLSRPDTVOV-GFCCVEGCSA-N	238.396	4.702	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@]12CCC[C@@H]1C2	711220945	GGGXMHZPVBLIQY-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC(C)(C)C(C)C	713176287	UOAAPHSLXPCFHS-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc(C(=O)CC(C)(C)C(C)C)c1C	713351727	ODUJEIIJVMNNBG-UHFFFAOYSA-N	232.367	4.558	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1NC1CCCCCC1	717531895	YPFUCQOXRGCWOE-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CCCC12CC2	718612813	MUCDXOOWVRXAQE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCCC(C)=C(C)C)C(C)(C)C	718652346	LWQLBBOODPIIRN-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H]1CC1(C)C	718652897	PCKDSKJZKYXCQR-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1ccc([C@@H]2C[C@@H]2C)o1	718683727	DIRMFESLUKOLNO-MJBXVCDLSA-N	248.366	4.573	0	10	BJAE	
Fc1ccc(-c2cccc(-c3ccccc3)c2)cn1	1239651274	HILLZUWQRIKORG-UHFFFAOYSA-N	249.288	4.555	0	10	BJAE	
CCC[C@H](C)Sc1cc(C)c2ccccc2n1	1656069257	GGHYKZVUMYJLCE-LBPRGKRZSA-N	245.391	4.824	0	10	BJAE	
Cc1ccccc1SC[C@@H]1CCC[C@H](C)C1	1656234211	FCBICIXOJVOBAQ-GXTWGEPZSA-N	234.408	4.913	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@H]2CCCC23CCC3)C1	1658357234	WQUWBDHARIDMRM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)CCNC[C@@H]1CCCC[C@H]1CC	1659927381	BLAZFDPYXAOBAA-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC1CCCC1)NC[C@@H]1CCC=CCCC1	1660873000	HGRWQFUUMJXWPP-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@@H]1CCCC(F)(F)C1	1888066129	OYGAWBUDEUSJFJ-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
CCCCCC[C@](C)(O)CCC[C@@H]1C[C@H]1C	1896073762	ADLHESWWPFGJLZ-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@@H]1CC(=O)C[C@@H](CC)C1	1900693749	QYVQBVAIBRMWBT-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCC[C@H](C)C1	1900713539	PXVQHWGQRXSTPQ-GXTWGEPZSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)c1cccc2c1CC(C)(C)C2	1901885179	RQNNFDZQLANONN-UHFFFAOYSA-N	216.368	4.715	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CCC(C)(C)C1	1902388914	BUCGTBFTWJLAON-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
Cc1sccc1OCC1C[C@@H](C)C[C@H](C)C1	1904931027	ISYHNMMNGINCTC-QWRGUYRKSA-N	238.396	4.508	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H]1CCCCCCCC1=O	1910809917	SXUVYUHYCOTXCM-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CC[C@H]2C[C@@H]2C1	1917330674	VTPPIMXEIWIYGJ-BFHYXJOUSA-N	243.394	4.585	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc(C2CCC2)c1	1917359321	SJGHPFLNHWXBOJ-BFYDXBDKSA-N	241.378	4.555	0	10	BJAE	
Cc1ccc(OC2CCCCCC2)c(Cl)c1	1936606961	ZBHYRXMAVAQHNY-UHFFFAOYSA-N	238.758	4.750	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCCC1(C)CC1)NCC	1940863025	KFLJVPYKBUBYPZ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CCC[C@H]2C)c1	1944848552	GDODIEZHYGDEMI-HIFRSBDPSA-N	231.383	4.658	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](O)C1(C)CCCCCC1	1944851275	BMUXMGZIGFNGOA-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
C1=C[C@H](CCc2cccc3ccccc23)CC1	1947551835	JEWUQGVFQJTVML-AWEZNQCLSA-N	222.331	4.739	0	10	BJAE	
C[C@@H]1CC[C@H](NC2CCCCCCCCC2)C1	1947880777	HHBQHQZJURFJNP-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
CC(C)=CCCNC1CCCCCCCCC1	1947881018	JZEKTJCLBARTPF-UHFFFAOYSA-N	237.431	4.825	0	10	BJAE	
CC(C)(CC[C@@]1(N)CCCCC1(C)C)C1CC1	1949034758	CNLLRAKGJNFEIE-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@@]1(CO)CCCC(C)(C)CC1	1950911312	NPCIJODIIHRBAU-ZBFHGGJFSA-N	240.431	4.638	0	10	BJAE	
CCC[C@H](C)[C@]1(CNCC)CCC[C@H](C)CC1	1950930724	QXOUGEAGZLXMAK-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
C1CCCC(CN[C@@H]2CCC[C@@H]2C2CC2)CCC1	1966048454	MFGGTKNQUDASKF-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CN(C)[C@H](C)c1ccccc1)CC(C)(C)C	1968434814	BMRUOJBSSCIVCQ-LSDHHAIUSA-N	247.426	4.752	0	10	BJAE	
CC(C)(C)CCCN1CCC[C@H]1c1ccccc1	1968483388	QMUNBPMVUDRIHQ-INIZCTEOSA-N	245.410	4.650	0	10	BJAE	
CC[C@@H](NC1CC(C)(CC)C1)c1ccc(C)cc1	1973591403	SHXIYKQLBZSBCN-AQFXKWCLSA-N	245.410	4.614	0	10	BJAE	
CCCC(C)(C)[C@@H](CCC=C(C)C)NCC	1976011039	QYQHYUVWXRRRPN-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1Nc1ccc(Cl)cc1	1977424007	UHSKWFUTQPMZEZ-FZMZJTMJSA-N	237.774	4.577	0	10	BJAE	
CC(C)CCC[C@@H](O)c1csc(C(F)F)c1	1978580767	ZCFWUGKFKBYWTF-SNVBAGLBSA-N	248.338	4.545	0	10	BJAE	
CCCCCC[C@@H](C)NC1CC(CCC)C1	1984692353	MYOHXURHCLQVHA-WLYUNCDWSA-N	225.420	4.514	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@H](C)C(C)(C)C	1986938641	OTQKNNYFEXSOLU-ZFWWWQNUSA-N	227.436	4.602	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H](CC)C1	1990045847	UTKKVONBWYOEID-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](C)CC(C)C	1990761168	QQZGYBVFZIVVLY-CABCVRRESA-N	227.436	4.569	0	10	BJAE	
CCCCCCN(C)[C@@H](C)c1ccc(C)s1	1990805036	BZMCKUDAPNZRKU-ZDUSSCGKSA-N	239.428	4.630	0	10	BJAE	
CCC1(C)CC(N[C@@H](C)C2(C)CCCCC2)C1	1995985183	HAOXLWKPPLTMGW-NFOMZHRRSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@]1(C)CC=CCC1)CC(C)(C)C	1997555060	XFSGIGZOMCDBNI-FMKPAKJESA-N	237.431	4.523	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CCCC2CCC2)C1	2000189914	FMWMVJHUXQHNHI-IUODEOHRSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)(CCC1CCC1)CNCC(C)C	2000499517	LLYLTKMPCBPVIK-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2002218749	CCHXDAVZCJSWIG-MUJYYYPQSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)[C@H]1CCC[C@@H](C)C1	2003021451	QLRAYJLIKDMNCW-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2003022030	SKZSVKGLBOYQBT-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CC1([C@H](O)CCCC2CC2)CCCCCCC1	2004922174	FDVGTHJVNSXEFG-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC1CC(CC)C1	2007755181	VWKWCKAMALDHTA-QDIHITRGSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CCC(C)=C(C)C)[C@@H]1CC	2009230921	RYFNNSCOPZXYPE-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C(C)(CC)CC)[C@H]1CC	2009250472	XHKUYAJKGJVXBT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@]1(N)CCC[C@H](C(C)C)CC1	2009569455	PAZCLWQVUMNWGC-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@H](NC)C1(C)CCC(C)CC1	2009588981	CBCVLPBUXPYBBF-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](NC)C1=CCC(C)(C)CC1	2010712990	KVNHXEFXWYQYPY-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@H](N)c2ccsc2)CC1	2010730419	YLHWSSOOWHWPLG-KBPBESRZSA-N	249.423	4.521	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1CC(=C2CCC2)C1	2011071075	CWHHTNASFYLQNM-LBPRGKRZSA-N	234.383	4.662	0	10	BJAE	
FC(F)c1ccc(CC2CC(=C3CCC3)C2)o1	2011082217	FDCURTGBYWOAHN-UHFFFAOYSA-N	238.277	4.650	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@@H](N)CC2(CCC2)C1	2012056513	HMMKUMMXTVXCJM-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)NC1CC2(CCCC2)C1	2013267409	QCJZHDRIDVTEPJ-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CC(F)F)C[C@@](N)(CC)CCC(C)C	2013296557	LWOWSZXHQMHOIX-GXTWGEPZSA-N	249.389	4.602	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H]1C[C@@H]2CC[C@@H]2C1	2015235741	FDCFRAIZVDQAAA-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC)[C@@H](C)CCC(C(C)C)C(C)C	2015340883	WUBKYYLYZYBWCN-GOEBONIOSA-N	241.463	4.719	0	10	BJAE	
CCC1(CC[C@H](N)CC2CCCCC2)CCC1	2015593378	CMGCKTFYFTZDIP-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)C[C@@H]1C[C@@H]1C	2016851548	IZJKCINRTMJOOO-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCCCC2(C)C)CCC1	2017142515	WNMRIZBLYAGTCO-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)CC1(C(C)(C)C)CCC1	2017144866	WZWQAZAAFRWHCM-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(C[C@H](O)C2(C)CCC2)CC1	2017642470	HZCSCHZNCAIBHA-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H](CC)CC(F)F	2018082668	XWQVVIRKTWOZQR-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCC1(C[C@H](C[C@@H](C)CC(C)(C)C)NC)CC1	2018990613	NPKKTDDCCKDLIN-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCN(CCC1CCCCC1)[C@@H](C)CC	2019181161	IHPNPRNVLIUOTQ-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCCCCC[C@](C)(O)CC[C@@H]1C[C@@H]1C1CC1	2019683614	LOAWDWGHPGSCOJ-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN(C)[C@@H](CC)CCC(C)C	2022577254	VSSVXWAJBCZVSQ-OAGGEKHMSA-N	239.447	4.569	0	10	BJAE	
CC(F)(F)CCCCC(=O)C(C)(C)C(C)(C)C	2023344173	OAZLEPLTIJCLRE-UHFFFAOYSA-N	248.357	4.843	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@@H]1CCC(C)(C)CC	2023612053	QHGYFLISSAAGEK-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1[C@H](C)CCC[C@@H]1CCC(C)(C)CC	2024002622	AFYODIMNICBFOM-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CC1CC1)C[C@@H]1CCCC(C)(C)C1	2024088832	KNFFMNXWIOBLJF-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCN)CC1CC(C)(C)CC(C)(C)C1	2024102187	QIKQOHGMBRFUPO-ZDUSSCGKSA-N	239.447	4.604	0	10	BJAE	
CCc1ccc(CC)c([C@H](O)[C@@H](CC)C(C)C)c1	2028229076	FQTCGLQTTFKHLG-DOTOQJQBSA-N	248.410	4.527	0	10	BJAE	
CN[C@@H](c1ccccc1C1CC1)[C@H](C)CC(C)C	2028602504	JMUHGLLVPVDGJZ-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)C1CCC(=Cc2cccc(N)c2)CC1	2031668205	XKYKFVHSXKMDBN-UHFFFAOYSA-N	243.394	4.889	0	10	BJAE	
C[C@H]1CCC(C)(C)CN1[C@@H]1CCC2(CCCC2)C1	2037675533	NOHCTSYFBQKPNT-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC[C@@H](Oc2ccccc2C(C)(C)C)C1	2037681149	DDMQSZAMPISYJI-CYBMUJFWSA-N	246.394	4.942	0	10	BJAE	
CCC[C@H](NC[C@@H]1CC12CCCCC2)C1CCC1	2039091496	JDSFWKZKAWBNJP-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H](C)c2ccco2)CC1	2041377693	XVHRXUMZKFRJCB-ZNMIVQPWSA-N	249.398	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)c2ccccc2C)CC1	2041382714	IYSFNVOBSXHPMT-INMHGKMJSA-N	246.394	4.635	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2cccc(F)c2)CC1	2041383279	MOWPTXNSGUQPMF-STQMWFEESA-N	248.341	4.615	0	10	BJAE	
CC(C)CNC[C@@]1(CCCC2CC2)CC=CCC1	2042087037	MQVWUDGQMZLQEW-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
C1CCCC(CNC2(C3CC3)CCCCC2)CC1	2042949671	YSWJAWANBKLPPT-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H]1CCCCN(C[C@H]2CCC=CCCC2)C1	2045304147	BLKKDSABYPMHQL-IRXDYDNUSA-N	249.442	4.635	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H]2CCC=CCCC2)cc1	2045304614	HHFQRBMXPXMCFK-RDJZCZTQSA-N	243.394	4.521	0	10	BJAE	
CCc1ccc(N(C)[C@H]2CCCC(C)(C)C2)cc1	2046569858	AGZMPWCDNAUWIN-INIZCTEOSA-N	245.410	4.654	0	10	BJAE	
CC[C@]1(C)C[C@@H]1N[C@@H]1CCCCC12CCCCC2	2047586552	KVSBGNVDSUEXGI-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC(C)CC1(C(=O)[C@H]2[C@H]3CCCC[C@H]32)CCCC1	2049193146	YDXHMHSQHAWMOU-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](NC1CCCCCCCC1)c1ccco1	2049645148	HYYWIBWKFNFVJC-HNNXBMFYSA-N	249.398	4.823	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2CCC=CCCC2)CCCC1	2049805618	AXCZIRQYJGTKNL-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)c1ccc(C)cc1	2050429758	IPPMZKWMZPLYDH-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1CC(CC2CC2)C1	2051398847	BEDAEHCYSDQDQY-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1cccc(C)c1C	2051404060	BFOFQPCEQDLPJD-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1cc(F)ccc1C	2051407513	YYBBYOQSAKXSTL-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@H]2CC[C@H]21)C1(C)CCCCC1	2052278158	AJOQTFGSYFTLLM-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@H]1C=CCCC1(C)C)C1(C)CCCCC1	2055529613	XRKKTJCGRMJLJE-CABCVRRESA-N	249.442	4.680	0	10	BJAE	
Cc1ccc2c(ccn2CC2CC(C(C)C)C2)c1	2056669723	NNHIYIRZXNZMCK-UHFFFAOYSA-N	241.378	4.632	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H](C)C1CCCC1	2056874740	ZUXXLDAEGOCTIJ-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)CC1=CCCCC1	2056878200	HZCNGANKNOURRG-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N)(CCC1(C)CC1)C2	2059180738	NHUKOOOHNXUWNR-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC=CCCC[C@H](NCCC)c1ccc(CC)o1	2059258680	IUDLIBDMDCZWBK-HNNXBMFYSA-N	249.398	4.629	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C1=CC[C@@H](C)CC1	2060911757	ZRYDHWWAESESNV-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC[C@@](N)(CC1CC1)C1=CC[C@@H](C(C)(C)C)CC1	2061113093	LNNBZMMGLJHXJW-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCCC1CC1)CC[C@]12CCC[C@@H]1C2	2061610652	BFUUQNPTNOLCLY-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H](N)C[C@@]12CCC[C@H]1C2)C1CCCCC1	2061624098	WPIXQJXOANNARN-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CC1CC(=C2CCC2)C1	2061683208	VDLLZMILLPBGGI-IAGOWNOFSA-N	248.410	4.598	0	10	BJAE	
COC[C@@H]1CC[C@@H](CCC2CC(=C3CCC3)C2)C1	2061720994	QJGZIEDLTUFPSV-UKRRQHHQSA-N	248.410	4.720	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)CC1CC(=C2CCC2)C1	2061727685	AGGOODYORWNBFZ-ZDUSSCGKSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CC(=C2CC2)C1)[C@@H](C)C(C)(C)C	2061736110	BSMGRVUPUSPTMI-MLGOLLRUSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@@H]1CCCCCC12CC2	2062021780	XVOQZVRYZFUFND-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(CC(=O)CC2C[C@H]3CCC[C@@H]3C2)C1	2063417763	FHSMYLZHGDFUBV-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1CC2(C1)CC2(C)C	2063995835	AXPTYAJZAJGCSU-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC23CCC(CC2)CC3)C1	2065281844	KMYZNBDMHYFNDE-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@]2(CN)CCCCC23CC3)CCC1	2069344017	GDQPYRWRGMRVAA-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@@]12CCC[C@H]1C2	2070925911	KCKGHNFPIUDWNC-HLLBOEOZSA-N	248.410	4.886	0	10	BJAE	
Cc1cccc([C@H](O)CC2(C(C)C)CCC2)c1C	2071897172	LRPVAPGYYWAAND-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CC(C)(C)C1(CN2CCC23CCCCC3)CCC1	2071922077	NVCYNGQNMBDEPC-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)=C(C)CN[C@@H]1CCCCC12CCCCC2	2072411127	KZXWNHNKOJGLNQ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CC1	2072682403	VAFCIFODYBAFIQ-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@](C)(NC[C@H]2CCCC3(CC3)C2)C1	2073063200	CUPIGFOKFOSRRK-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC[C@@H]3CCCC[C@@H]32)C1	2074891163	FILXRPZSONQAKQ-QZWWFDLISA-N	249.442	4.610	0	10	BJAE	
CN(CCC1CCCCC1)[C@H]1CCCCC12CC2	2074894420	BNZWRXNTEKGPSY-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccccc2C2CC2)[C@H](C)C1	2077264664	YEEGIURGAUZWMI-IOASZLSFSA-N	243.394	4.801	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@H]2C2CCCCC2)CCCC1	2079491096	GWYNOXXPDAZLKG-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1C[C@H]1C1CCCCCC1	2079523108	MXXNUDJZXKRVQV-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CNc1ccccc1C(C)(C)C	2079618087	CZUKVQFJADQRJU-KBPBESRZSA-N	245.410	4.688	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@H]1C[C@H]1C1CCCC1	2079634049	RDFYGFRAWRLRDW-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCC1)[C@H]1C[C@@H]1C1CCCCCC1	2079837779	CDWJISALEPKGFX-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@@H]2C2CCCC2)CC1	2079851720	MWGUXZZETAWORT-ARLBYUKCSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@H]1C[C@H]1C(C)C	2079871296	RRDXYPFITFHNSY-IVSAIRAKSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCC[C@](CNC(C)(C)C)([C@@H]2C=CCC2)C1	2081682376	USPKNKJFNPWBGF-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCC23CCCC3)C1	2082982663	MOLARRXRRVMEAM-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cccc(C(C)(C)C)c1	2083550019	KIPRRVYWTMVNIP-BBRMVZONSA-N	247.426	4.810	0	10	BJAE	
CCC[C@H](CCCCCCCC1CC1)NC	2210527571	TVCFDZVTBHNIGX-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC[C@H](CNCCCCCCC1CC1)C(C)C	2213579243	RIDSXPSSXZVYDT-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc(NCc2scc(C)c2C)c1C	2213638533	WDHKAGTVUICFED-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CC(C)(C)CCN[C@H]1CCC[C@H](C(C)(C)C)C1	2216258671	QMXLHKCHILRHDG-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1NCC[C@@H]1CCCCCCCC1CC1	2216888600	ATPHPDKERQVHPS-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@H](C)CC(C)C	2217159019	JGTLHUMXQYZKKO-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC1(CC(=O)C2C[C@H]3CCC[C@H](C2)C3)CCC1	2218337637	FCKXSDSAPAMGFR-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1=O	2218378057	NHEUBWVQNRLYMM-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1C[C@H]2CCC[C@H](C1)C2)[C@H]1C=CCCC1	2218384218	BZNUWVGKTPYZNE-DZKIICNBSA-N	246.394	4.518	0	10	BJAE	
N[C@@H](CCCCC1CC1)C1CC2(CCCCC2)C1	2220029021	YHDMDLSLJXXIFR-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNC1(C)CC2(CCC2)C1	2220975970	UURKGRNNOWRKRL-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(NC[C@@H]2CC=C(C)CC2)C1	2221617390	ZWJOOPPVPVCIRG-KLAILNCOSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)C2=CCC(C)(C)CC2)CC1	2221621811	GALRHYAHRFIAJT-DOTOQJQBSA-N	247.426	4.587	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NC[C@@H]2CC=CCC2)C1	2222265552	KEMFELWMYFSYQT-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
C(CCCCCCC1CC1)=C1CNC2(CCC2)C1	2223110845	QSIBBIVXXJDIEY-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
O=C(CCCCCCCC1CC1)C1[C@@H]2CCC[C@@H]12	2223158048	GXIGBTVDULKBCI-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)C[C@]1(CNC2CCC2)CC=CCC1	2223540791	CCWHYDPRFWYBBN-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC1([C@H](O)CC[C@@H]2CCC[C@H](C)C2)CCC1	2246696544	RTCVYUAVHKDXOJ-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
C1=C(Cc2cccc3c2CCCC3)CCCC1	2247509834	PSQBUBJJMPUXSX-UHFFFAOYSA-N	226.363	4.608	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)[C@H]1CC12CCC2	2248296892	VPFQWHACMLOSKY-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CC(C)C)c1cc(C)c2sccc2c1	2248576005	CVPCBKMGLHIYKJ-AWEZNQCLSA-N	247.407	4.516	0	10	BJAE	
FC(F)[C@@H]1CCC[C@H]1CCC1CC(=C2CC2)C1	2249193781	NRIYUWQKBUQKNB-GXTWGEPZSA-N	240.337	4.948	0	10	BJAE	
CCC[C@H](CC)C(=O)CC[C@H]1CCC[C@H](C)C1	2250374182	WTNBVZZMHBMKER-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@]1(N)C=CCCC1	2250476112	NJKXJXCRHVBCGE-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CNCC[C@](C)(F)CC[C@H](C)CCCC(C)C	2250484183	CFPSLMSBGAFJGR-HUUCEWRRSA-N	245.426	4.567	0	10	BJAE	
CC(C)CCC[C@H](C)CCNCC1(C)CCC1	2250531218	XDFPKWUCSCRNEL-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CC(C)(C)CCC1(C)C	2251679732	WOGBRNVWZFBREC-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC1CC(CC[C@H](N)C[C@@H](C)CC(C)(C)C)C1	2251758830	GKSKLGXASOQTIA-JYVUQVBGSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC(=O)c1ccc2ccsc2c1	2253093803	OWPKCOLLLDQMMA-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
Cc1coc(C)c1C(=O)CC[C@H]1CCC[C@@H](C)C1	2253936195	RAXFXAVEVVRDEH-BXUZGUMPSA-N	248.366	4.686	0	10	BJAE	
CN[C@@H](CC1CC2(CCCC2)C1)C1CCCCC1	2254111966	IUSTUMXGFXUOTF-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C)c1ccccc1CCC=C(C)C	2254227652	YYDIEEYZQNMBBV-HNNXBMFYSA-N	245.410	4.646	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@H]1CCC1(C)C	2255027146	SBXZLNWPRVYTSA-VBQJREDUSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](CC2=CCCCC2)C1	2255126058	GYYORFMIQHHGLV-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@H]1CCCC12CC2	2255242017	BVJZJHVGIZOVNB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)[C@H]1CC12CCC2	2256452463	SECVYXPBMUUBCF-DZGCQCFKSA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@@]23CCCC[C@H]2CC3)CC1	2260535881	DFQFUCHGDQVNPY-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C[C@]23CCCC[C@H]2CC3)C1	2260677377	FIUXYNNKBDIXKI-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@](N)(C[C@@]23CCCC[C@H]2CC3)C1(C)C	2260678570	LWYRJUZCZJVDHS-JQFCIGGWSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@H](O)C[C@@H]1CCC12CCC2	2300679198	QTRTVDWGTWRJIH-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCCCCC2)C[C@H]1N	2301147167	GXNLHSGUOYLQFV-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
Cc1csc(-c2ccnc3ccccc23)c1C	2301459161	DSYVNXBCSOEZOC-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)NCC(C)(C(C)C)C(C)C	2301835185	DIKPCZVHVIIFAX-HUUCEWRRSA-N	241.463	4.575	0	10	BJAE	
Cc1ccccc1NCCCC1=CCCCC1	2302331351	LDZOBHLIAAHYJW-UHFFFAOYSA-N	229.367	4.688	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CCCC1=CCCCC1	2302350196	YRXZQTCJKILOFR-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CC(C)(C)CCCNCCCC1=CCCCC1	2302360631	CSCKBLUIMGZLIA-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H]1CCC(C)(C)C1)NC	2302676632	WPUHXTCOLKLTSB-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@H]1CCC(C)(C)C1	2302747721	GRGSTDIXQNJMMO-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CO)CCC(C)=C(C)C1	2303585050	VODGQIINHGMONX-INIZCTEOSA-N	238.415	4.702	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@H](CC1CC1)C1CC1	2303787797	XANHYRBEVKSVMT-CQSZACIVSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@]2(C)C=CCC2)C1	2304422574	JJQYDBPLQNKIOP-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CNC(C)C)CC1(C)C	2307748021	VHJWZXKHKHRUTP-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](O)CC1CCCCC1	2307824735	VPLZKOSTDFHCFK-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)C(C)(C)C(C)(C)C	2307904585	UAHBYCCXQQHQBY-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCc2ccccc21	2316238781	NVFTWGHCTVYCJG-INIZCTEOSA-N	244.378	4.502	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@@H]1CC[C@@H]2C[C@@H]12	2316504867	YGXXFWGBPWBXGV-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@@]1(C2CC2)CCCN1)CCCC(C)C	2316543190	XEAMZKRYGBNQJK-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1N)CCCC(C)C	2316553945	FHPZECIUMSMCGH-MWDXBVQZSA-N	249.442	4.523	0	10	BJAE	
Cc1ccc(C(=O)CCC2CCCCCC2)cc1	2316882132	WNIPHSAWJUKRIN-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
C[C@@H]1CCC[C@H](NCCCC2=CCCCC2)CC1	2318530986	GTZJROJQSIIWAX-WBVHZDCISA-N	249.442	4.825	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)[C@H]1CCC2(CC2)C1	2318579127	FEFFYJFAFVHZKN-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
N[C@H](CCCCC1CC1)CC1CC(C2CCC2)C1	2318875938	INXFQZBTIULLAZ-BDVYOWHSSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CC1CC2(CCCC2)C1	2318928331	BQKIGNDUXLRVFE-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC[C@H]1CCC(C)(C)C1	2319119784	XMQVYLGEDQJYNN-HOCLYGCPSA-N	245.410	4.601	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCCC[C@H]3C[C@@H]32)CC1	2319335986	BRDICFWFUBRINB-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCCC(C)(C)C2)CC1	2320339383	DGHDNFLYBBBRLS-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CN[C@H](C[C@H]1CC[C@H]1C)c1cccc(C(C)C)c1	2320516753	KJVSSYDLYLKFJG-FRFSOERESA-N	245.410	4.507	0	10	BJAE	
CC=C(C)[C@H](NCC)c1cccc(C2CCC2)c1	2320651250	FDOCNTHPXRBOKP-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@H]2CC23CCCC3)C1	2321610873	LDSROGPUFVHHDL-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
Cc1coc(C)c1[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2321651214	XBRZYOOFPASMQK-KGLIPLIRSA-N	249.398	4.503	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)C2(C)CCCC2)c1	2327680098	CCURIUOMWJKLFI-MRXNPFEDSA-N	245.410	4.699	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc(C2CC2)cc1	2328087446	YBABUKKGVQJBCL-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CCC[C@@H](CC)CN1C[C@@H](C)Cc2ccccc21	2328100044	AYGHXQLDZRKWNC-LSDHHAIUSA-N	245.410	4.512	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)CCc1ccccc1	2328203274	ZPXFGPLOWADIGT-NVXWUHKLSA-N	248.410	4.587	0	10	BJAE	
CC(C)C[C@H](C)Nc1ccccc1C(F)(F)F	19996568	RTRSYLZQRFTUJP-JTQLQIEISA-N	245.288	4.552	0	10	BJAE	
CCCC(CCC)Nc1ccc(C)cc1F	20371438	PDNWEELSKVPVCB-UHFFFAOYSA-N	223.335	4.515	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(C)c(C)c1	21816126	JHPWYJWQXSOSPM-IUODEOHRSA-N	233.399	4.930	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(Cl)cc1Cl	37196825	AZQSLTCUGRKIQE-SECBINFHSA-N	246.181	4.984	0	10	BJAE	
CC[C@@H](Nc1cccc(F)c1C)c1cccs1	43319839	QECZZHVTWTZDNL-GFCCVEGCSA-N	249.354	4.759	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](CC)NCCC	71083961	UNKCCVMIVWYDBI-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CC(C)CCn1ccc2cc(C(C)C)ccc21	75232811	VJQZNTWKTPSCMP-UHFFFAOYSA-N	229.367	4.811	0	10	BJAE	
Fc1cccc(-c2cnc(C3CCCCC3)o2)c1	75841542	YETGZWMNKDJLHT-UHFFFAOYSA-N	245.297	4.528	0	10	BJAE	
CCC[C@H](C)CC(=O)C1CCC(C)(C)CC1	83778567	JQASFODXKTTXBJ-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Nc1ccsc1	85527722	GADBPGOMIRAUBP-KWCYVHTRSA-N	237.412	4.621	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC[C@@H]1C)c1ccccc1	88507117	RNBMOHIKQCIAMU-BHYGNILZSA-N	245.410	4.696	0	10	BJAE	
Cc1cccc([C@@H](CNC(C)(C)C)CC(C)C)c1	93126499	KUEULNNQEICGKK-MRXNPFEDSA-N	247.426	4.513	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCCCC1(C)C	94274205	BHFRFLHPEFHILV-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(/C=C/CCC(C)(C)O)cc1	98128290	VCAYCXADMGTGSD-OWNNVSBGSA-N	246.394	4.764	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)c2ccccc2)CC1	104010585	SAZKLIQGTBQCQA-UYSNPLJNSA-N	245.410	4.539	0	10	BJAE	
CCc1ccc([C@H](CC)NCCCC(C)C)cc1	109920906	KEFXVXINRVLMJI-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CNC(C)C)C(C)C	110185553	HTZMGDUCYQXHHE-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCCCC1CCC(C)(CNC(C)(C)C)CC1	110199406	TYXLQLWAWOXSIU-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@H](C)CCC	126139088	RXQXIZKXSVXBHU-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CN[C@@H](c1ccc(C2CCC2)cc1)[C@H](C)C(C)C	128759816	FAXBERRCJVLSCF-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CCC(CC)n1ccc2c(Cl)cccc21	129797890	CBEMUKRTOFXODI-UHFFFAOYSA-N	221.731	4.656	0	10	BJAE	
CCC[C@@H](C)Nc1cc(Cl)c(C)cc1Cl	132019347	JOFLDKASSAVQEN-SECBINFHSA-N	246.181	4.902	0	10	BJAE	
CC(C)(C)NCC1(C2=CCCCC2)CCCCC1	161465439	XUVPRTCMUYABGL-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC[C@](C)(CNCC(C)C)C1CCCCCC1	168057257	UCRKFQYLLLRDRI-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](F)C1(c2cccc(Cl)c2)CCCC1	220501245	PCPBRZXGNHALMV-SNVBAGLBSA-N	226.722	4.510	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	222177849	QJBYYSGPYXYPRY-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2c(C)cccc2F)CC1	224960919	MVKSDUZLGAZLFF-UONOGXRCSA-N	249.373	4.905	0	10	BJAE	
Cc1c(N)cccc1-c1ccc(C2CCC2)cc1	232216645	DPVQTJWEVWSXBT-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCCCCC[C@@H](NC)c1c(C)cccc1C	232964775	NQBLWCJMMDRBPD-OAHLLOKOSA-N	233.399	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(O)CCCC[C@H]2CC)C1	251861357	SVDALEJMJIDFDS-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H](C)CC(C)C)C1	304187137	SIGMPFRJLJCXPT-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H](C)CCC(C)(C)C	304329220	DECACWBPWZZUNP-KBPBESRZSA-N	227.436	4.616	0	10	BJAE	
CC[C@H]1CCCC[C@H]1n1ccc2cc(F)ccc21	304930750	DLTLVEGQTZVNKR-SWLSCSKDSA-N	245.341	4.922	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H]1CCCC(F)(F)C1	305997288	MZNGATPIGHWGAM-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC(C)CNCCC(C)(C)C[C@H](C)CC(C)C	306018052	XXZIGCCBHCNUSK-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCc2cc(N)ccc21	306075076	FOXIDWFDXKTBHI-GFCCVEGCSA-N	231.383	4.515	0	10	BJAE	
CCCc1c(C)[nH]c2ccc(C(C)C)cc12	307980434	AIGOLOUKCKZBEN-UHFFFAOYSA-N	215.340	4.552	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@@H](CCC)CC(C)C	308024160	MESVBSARFIYLLR-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCCc1ccccc1	308049989	AGDWEFRXFIHSGO-MRXNPFEDSA-N	246.394	4.651	0	10	BJAE	
CCCc1cccc([C@@H](N)[C@H](CC)CC(C)C)c1	308066010	MLJFKEKSPLZPLL-WBVHZDCISA-N	247.426	4.711	0	10	BJAE	
CN[C@H](CCC1CCCC1)C(C)(C)C(C)(C)C	310367254	WOCCNKRXQYBITP-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1([C@H](C)CCC)CC[C@H](CC)C1	318154684	CSLQIWLFDLXNAP-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC([C@H](O)[C@H](C)[C@H](C)CC)CC1	318701702	DPDVTJABGLFCHH-BKAAIYKLSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CC1CCC(C)(C)CC1)C(C)(C)C	383556163	YTNCWWLAKGNHIE-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@H](NC)C2(C)CCCCC2)CCC1	383639878	ZKNQCENXRRCRSU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CNC(C)(C)C)C[C@@H](C)C1CCCCC1	383990846	LOGNTFWMUZNSSU-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)C1(CC)CC1	385742953	BXVCLVDZTIDVFA-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCC1(NC[C@@H]2CC(C)=C[C@@H](C)C2)CCCCC1	389645064	OGJOEOAKNDJLHS-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](NCCCC2CCCCC2)CC1	395250863	DUSAHNPVZHNNHY-KOMQPUFPSA-N	237.431	4.515	0	10	BJAE	
CSc1cc(F)cc2scc(C(F)F)c12	396245411	NZRBODDALZHHJL-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1cc2ccsc2c(C(F)F)c1F	396245603	OIZMFZNBYMYKMY-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CN[C@H](c1c(C)cc(C)cc1C)[C@H](C)C(C)(C)C	399203432	RIPWETSSYLMZPG-HOCLYGCPSA-N	247.426	4.555	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@@H]1C[C@H]1CC=CCC1	402382529	ZTXZLWMHQRIHOZ-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](C)Nc1ccc2c(c1)CCCC2	404568045	YSJXHRPQSRJXDJ-ZDUSSCGKSA-N	231.383	4.556	0	10	BJAE	
CCC[C@](O)(CCC(C)(C)C1CC1)C1CCC1	406018861	BWTQWNMSCVBJIN-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)N1CCCCC[C@H]1c1ccccc1F	616625530	PEWVUMKBCSVTAW-HNNXBMFYSA-N	249.373	4.541	0	10	BJAE	
CCCCCC[C@@H](CCCC1CCC1)NC	688404050	KGFJOTAGIJUDEU-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC(C)c1cccc(-c2cc(Cl)ccn2)c1	688899470	LNQIMTLNBFVQRL-UHFFFAOYSA-N	231.726	4.525	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCC2CCC2)c(C)c1	689009885	FDOHLTUDCDMQGZ-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1	695299307	JERYTNUQIBSVKE-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC2CCC(C3CCC3)CC2)C1	695907971	IKJUCMJAXIMUGI-LHUBUQBQSA-N	249.442	4.514	0	10	BJAE	
CCC1(CNC2CCC(C3CCC3)CC2)CCC1	696075621	GGJKJSFVLJVMNT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCCC[C@@H](O)c1ccccc1	696797556	ZNIAHRIRLKBISU-OAHLLOKOSA-N	234.383	4.717	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	701389929	QLKZVPRUVGTZPY-MLGOLLRUSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@@](N)(CCC)[C@@H]1CC1(C)C	704471073	HDBNVJAIVVTZAC-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@@H]1CCCC12CC2	706215032	JUTNSGLNAPOKKA-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]21)C1CCCCC1	707832295	GDGUFOKEDJPIFP-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
Cc1csc(C(=O)C[C@H](C)CC(C)(C)C)c1	709132850	SAGHRMRXXDAILZ-JTQLQIEISA-N	238.396	4.702	0	10	BJAE	
CC(C)CNC[C@H](C)CC[C@H](C)CC(C)(C)C	709184881	HJXVHIPKVZXTPD-LSDHHAIUSA-N	241.463	4.721	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)CCC12CCCC2	709232238	LXFKLERCNINBJZ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)C12CCC(CC1)CC2	710172778	NENQZQCZPFNVJE-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C[C@H](N)c1cccc(C)c1C)C(C)(C)C	711120773	NRYAILZGJLEVAM-HOCLYGCPSA-N	247.426	4.766	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@H](C)C(C)(C)C	711228958	IEXNAQPCCIPGSC-CHWSQXEVSA-N	226.404	4.700	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CC(C)(C)C(C)C)cc1	713143496	VYUOHVLEAXZCKC-INIZCTEOSA-N	247.426	4.882	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@@H](C)C(C)(C)C	713242477	ZLEGAZAVQHWBKR-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)c1ccc(C)cc1	713736410	UZWLMDKJPGGMAP-TUYSUELWSA-N	243.394	4.558	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@@H]1C[C@@H]1C(C)(C)C	713747488	KFFDOBZWFPVBGJ-REHUNXQESA-N	249.442	4.559	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1	714304878	QDOUXVCYERXSKB-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@H](C)NCCCCC2CC2)cc1C	716399161	REUIABDJJXTSGP-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCCCCC[C@H](CCC(C)=C(C)C)NC	718575547	ZSARKWZWUIGSDS-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H]2CCNC23CCCCC3)C1	721032010	AOAPNOVQIXKNCA-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)c1csc2ccccc12	722858578	VBLIBGQJECPAKA-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CCC(CC)CC	1900693461	NYSFKINTODSDPN-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H](C)CC(C)(C)C	1900704106	VDLBYIBUHCRVDZ-TZMCWYRMSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](C)NCC=C(C)CCCC(C)C	1900826577	LREWWQRYBPWFIQ-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCc1cscc1N[C@@H](C)CCC=C(C)C	1902377749	XTZBARFXFPQXIV-LBPRGKRZSA-N	237.412	4.857	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)c1ccsc1C	1905360434	LOFXBVYNAXGSJL-TZMCWYRMSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CC)CCCCCN1	1905361772	JGJOWJPTZSQMBS-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)C1(Cl)CCCC1	1905373006	BMFLBHWZZCRYSJ-OLZOCXBDSA-N	246.822	4.505	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@@H](C)CCC	1905451990	BADBANZMTKQZLH-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C=C(C)CNC(C)(C)C	1911894859	RFSDOAHKQNUBHM-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC=C[C@H](C)Cc1ccc(SCC)cc1	1911895372	RADMYWVYHNARKS-ZDUSSCGKSA-N	234.408	4.943	0	10	BJAE	
N[C@H](C1CCCCCC1)C1CC2(CCCCC2)C1	1912647603	ZJXPKTFPXXQHRC-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCCCCCN[C@@H]1CCC2(CCCCC2)C1	1915853833	CPQDPVJYMBOEMS-OAHLLOKOSA-N	237.431	4.659	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CCC2(CCCC2)C1	1916431402	RWVWHFURSLFGIM-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)C1=CCCCCCC1	1919963494	YSXMUYMBFWVATN-GDBMZVCRSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)C[C@](C)(O)c1ccc(C(C)C)cc1	1920038981	SCGGLJBZPFRINH-KRWDZBQOSA-N	248.410	4.844	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@@H]2CCCC23CCC3)C1	1921610829	PRAUYLPSJSHSNR-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](NC[C@@H]1C=CCCCC1)[C@H]1CC1(C)C	1925825661	ZJZWAGSJMAADQH-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C(=O)c1cc(C)c(Cl)s1)C(C)C	1927986064	KZLAXDGGDCNUHX-VIFPVBQESA-N	244.787	4.575	0	10	BJAE	
CCCCCC[C@@H](O)CCC[C@@H]1CC1(C)C	1935926410	ZAOMZWPHQGVBFW-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
C[Si](C)(C)CCNc1ccc2sccc2c1	1936245019	FPDHHBRJAJZNAF-UHFFFAOYSA-N	249.455	4.651	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](C)NCC(C)(C)C(C)C	1940244785	GTIWASRRHSSAGD-CQSZACIVSA-N	241.463	4.575	0	10	BJAE	
CCCSC[C@@H](C)Nc1cccc(C2CC2)c1	1941168084	IKKJNSAYWWXOKF-GFCCVEGCSA-N	249.423	4.508	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CCCC2CCC2)C1	1941466034	WDRXLWBUYDUQTM-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1Cn1ccc2cc(Cl)ccc21	1944796974	KAILBWPKJGEJLR-YPMHNXCESA-N	247.769	4.731	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCCC2(C)CCCCC2)C1	1945433204	YDMDUPAHODNVHW-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Clc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)c1	1946336929	LQGXJHYEHOEBOD-TUKIKUTGSA-N	249.785	4.721	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C2CC(C)(C)C2)CC1	1948155295	KNCWDNSXLHTZDN-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC(C)(C)CC(F)F	1949008501	CQISIMWQQCMRIB-LLVKDONJSA-N	249.389	4.602	0	10	BJAE	
CCCC1([C@H](N)C[C@H](C)CC(C)(C)C)CCC1	1949017357	BIRWPIFWMCVVEG-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@H](C)CCC(C)C	1949082078	ZYOIUVYINASLHP-LVQVYYBASA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C)c1nc2c([nH]1)[C@@H](C)CC[C@@H]2C	1949762645	RIAKKXNVJRUDHL-SRVKXCTJSA-N	234.387	4.560	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC2(CO)CCCCC2)C1	1950370414	CCNIDTXDLWPJRX-CABCVRRESA-N	238.415	4.536	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1(CC)CCC1	1951237566	AHSBEMVPHLWKPO-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](c2csc(Cl)c2N)C1	1960988584	RFAFOTUOTYOKKJ-MRVPVSSYSA-N	243.803	4.668	0	10	BJAE	
CCC1(C)CCC(Nc2ccsc2)CC1	1961469870	RWRWNFRDAMPZAA-UHFFFAOYSA-N	223.385	4.519	0	10	BJAE	
C1CCC(CCN[C@@H]2C[C@@H]3CCCC[C@@H]3C2)CC1	1967861648	ZYLBMZPXNSXCFK-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](Nc1ccc(C(C)(C)C)cc1)C1(C)CCC1	1968275573	MNXZQUDYBVEQPF-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
Cc1cc(C)cc(OCC2[C@@H]3CCCCC[C@@H]23)c1	1968307600	MOEACEXSUQXZOK-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CCC12CCC2	1968602319	IZDRQWUAUXRXBC-MRXNPFEDSA-N	243.394	4.863	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H](C)CCC1CC1	1975843972	ZYZVAWUCSPMJRD-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CC=CCCCC[C@H](CC(C)C)NCCC	1984633629	YMOHCXAETUGPHL-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@](N)(CC)CCCC1(C)CC1	1990099939	ZJSSBDYTOKRRJH-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
C[C@H](c1nc(C2CCCCC2)cs1)C1CC1	1995495674	AHPBJPSFDPDBRA-JTQLQIEISA-N	235.396	4.704	0	10	BJAE	
Cc1cccc(N[C@@H](C)C2(C)CCCCC2)c1	1995987025	HMBACACOVIRVKF-AWEZNQCLSA-N	231.383	4.766	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)CCCC2(CCC2)C1	1997044344	YFYBVSMJGVWVPU-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@H](O)[C@H]2CCCC(C)(C)C2)CCC1	2000023809	KFLDUZGGVAGSEA-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)[C@H]1CCCC(C)(C)C1	2000149821	MCERJDILLRDNMU-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)c2ccc(Cl)cc2)C1	2000189762	CALRJECRMXGULG-GWCFXTLKSA-N	248.753	4.515	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2CCC[C@@H](C)C2)CCC1	2000195001	LIASEFMTPHPRHJ-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)(CC)[C@@H](C[C@@H]1C=CCCC1)NC	2000323784	ZFMOGVKDXJPVON-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H]1CC12CCCC2	2001211829	VCNZCKPERRDRHY-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@H]1CCC12CCC2	2001843147	DATNKNZETOAGOD-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CC[C@H]1CCCC(C)(C)C	2002881431	BAAPZQFRRFCWNH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2003023613	YBWAFICTXLOXQT-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
O=C1CCCCCC[C@H]1CC1CCC=CCC1	2003117135	MQFOSAMFDULNCY-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@H]1CCCC2(CC2)C1	2003279093	ZLOSNDGSNDVZNP-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@@]1(C)C=CCCC1	2003322574	RDDBBKBPNXCZJV-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@@]1(CC(C)C)CCCCC1(C)C	2005599016	XBVWFUPADMEOIG-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC1=C[C@@H](NC(CC(C)C)CC(C)C)CCC1	2006905115	LEUQOWZBQJBKRS-HNNXBMFYSA-N	237.431	4.536	0	10	BJAE	
C[C@H](C[C@H]1CC(=O)CC(C)(C)C1)CC(C)(C)C	2012084642	PVTLOXSOZRIPCN-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@H]2CCC2(C)C)cc1C	2014905213	XSRXSXTXNWQENZ-DZGCQCFKSA-N	231.383	4.540	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C[C@H](C)C(C)C	2015272111	BXNBIUGGABQZNA-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCCC[C@@H]2C)CCC1	2015585045	WRMZMZUNTZTALD-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@@](O)(CCC(C)C)C2CC2)CCC1	2015594043	HDMMSKBICAWRAK-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CCC[C@H](C)C2)CCC1	2015638945	AQSFCTBVFWAPGN-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@@]1(C)C[C@@H]1C	2016467744	MDUBJUIAFXPKMQ-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)[C@@H](CC1(C(C)(C)C)CCC1)NC	2017141942	STNSSRTYCMGHKC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)CC(C)=C(C)C	2017461095	FGQJGZZMYGRTOM-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCNC[C@](CC)(CC(C)=C(C)C)C(C)C	2017463765	MOEZTAKIKAFHJT-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CCCC1CCC(C[C@@]2(O)CCC2(C)C)CC1	2017647867	IWPDOIUVDITAQD-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@H]1CC[C@H](C)CC1	2017651597	WNLIMMQVEXRYCV-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@]1(O)C[C@H]1CC[C@H](CC)CC1	2017653690	WMHAQMHQHNYDAF-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@]1(C[C@H]2CC[C@H](CC)CC2)CCCN1	2017728992	REKHFRLTCHMZEG-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CCCCNCC(C)C)CC1	2017733756	NKFSAKFAODHEKM-WKILWMFISA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(CCC[C@@H](C)NCC)CC1	2017733805	OCARUBKKIMPJGQ-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc2ncsc2c1	2017743252	SVCVWPBOYXPSHX-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CCC[C@@H]1CC1(C)C	2017789015	XKARCVTXYVUOAY-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1CCC12CCC2	2018129537	DBCWQJYGGVUKRG-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC2(CCC)CC2)C1	2018926279	ZAFDDMPMQDFSRL-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCC[C@@H](C)CC2)CC1	2018997402	YAZJXFFQKKUDQH-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)N(C)C1CC(C)(C)CC(C)(C)C1	2019306160	SJPXDERDPIZHRW-CYBMUJFWSA-N	239.447	4.712	0	10	BJAE	
CC(C)(C)CCC(=O)[C@H]1C[C@H]1C1CCCCC1	2022417459	MXUOVLBDYBYJQL-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@](C)(N)CCC2CC2)C1	2024090459	YUFQJPUBGBYUIF-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@@H](C(C)C)C1	2025621968	OXQZCIJIWYIJFD-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCC[C@H]1C[C@@H]1C	2026073467	HTQRFRLDSALKKS-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CC=CCCC[C@@H](CC[C@H](C)CCCC)NC	2026170234	OFBSOLJMCXZPQJ-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)c1ccccc1C1CC1	2028561149	XJEXZXBJWQSOKF-OAHLLOKOSA-N	245.410	4.636	0	10	BJAE	
C[C@@H](CC(=O)c1ccc(C2CC2)cc1)C(C)(C)C	2028590050	GERYLQAVSPUTEK-LBPRGKRZSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@@H](c1ccc(C2CC2)cc1)[C@@H](C)CC	2028590754	MHEIDDXRLRPGFH-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CC2CCC=CCC2)C1	2028870021	NOQNMKOZCATOBX-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1CC[C@H]2C[C@@H]2CC1	2028963321	BMGFMPCAGRFHEO-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)CC1	2028965545	TVAZBEQDMIXYCO-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@@]1(CC2CCCCC2)CC12CCC2	2032135634	OIFTVTMIQFVFOJ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](Nc1ccc(C2(C)CC2)cc1)[C@H]1C[C@H]1C	2032243462	VPRPVCROANMFSQ-KCXAZCMYSA-N	243.394	4.585	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CCC(C)(C)C2)cc1C	2033395546	UDOJRAWORPUQCW-AWEZNQCLSA-N	244.378	4.621	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCC1(C)C)c1ccccc1	2033558418	HIKGHXAMPHWXSA-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CCC[C@H](NC2CC(C3CCCC3)C2)CC1	2033765571	XXHBTNYCNXLBSO-PXZKZTPFSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)[C@@H]1CCCC[C@@H]1C3	2034150175	VFNWSNOARZVUGB-CHWSQXEVSA-N	239.362	4.615	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CC[C@@H]2CCCC[C@@H]21	2034264611	RGBHDTOGLADWDI-DUVNUKRYSA-N	247.357	4.515	0	10	BJAE	
CCc1ccccc1N[C@@H]1CC[C@@H]2CCCC[C@H]21	2034264976	SUJQVLHCRDEPFB-ZMSDIMECSA-N	243.394	4.630	0	10	BJAE	
CC1(C)CCC[C@](N)(CC[C@H]2C[C@H]2C2CC2)CC1	2037128961	ZBVAVOPQWQVPOR-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CC2CC3(CCC3)C2)C1	2038081288	QFUKDISLTMGNPP-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC(CCN[C@@H]2CCCC23CCCC3)C1	2038090764	VICHWKLYRPZTCN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)ccc1C(=O)[C@H]1CCC[C@H](C)CC1	2039379027	ZASDVNDXENOZBT-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@@H]1[C@@]1(N)CCCC2(CCCCC2)C1	2040764420	CAOQAVDGFUMOGJ-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@H]1C=CCCC1	2043186860	HQFSDNWULNLTPP-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
C[C@@H](N[C@H]1CCC2(CCCC2)C1)C1CC(C)(C)C1	2043547274	OTDRJBCFURNLGH-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CCc3cc(N)ccc32)C1	2045511493	JHSYDWMOGUUYGM-BBRMVZONSA-N	243.394	4.515	0	10	BJAE	
CC[C@H]1CNCCC12CCC1(CCCCC1)CC2	2045663698	PLDZLBPRORYQPO-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccccc1NC[C@@]1(C)CC=CCC1	2047725212	ACJXPACCMYWLIU-KRWDZBQOSA-N	243.394	4.968	0	10	BJAE	
CCCC1CCC(N[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048385234	HAMDFTZGSKVQNZ-NDQLQDMOSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](N)(C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2048444340	BEADXRFKMVLYNM-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCCN(C)[C@H](C)[C@@H]1CCCC(C)(C)C1	2049508730	MXMOJTNWVAPTHP-HZPDHXFCSA-N	249.442	4.655	0	10	BJAE	
CCN[C@H](CC=C(C)C)c1ccc(C2CC2)cc1	2051403127	LAGRNSJCDVLHML-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2CCCCC23CCC3)CCCC1	2053410245	DPUAAZGENCDFFI-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1C[C@H](C[C@@H]2C=CCCCC2)CC[C@@H]1C	2055605567	YDXZBBNMOUYARJ-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)[C@]1(C)C=CCC1	2056652887	IELIPKGWSMJSKP-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CC(O)(c2ccc(C(C)C)cc2)C1	2059393388	FOYBVZWODPYBRS-UHFFFAOYSA-N	246.394	4.598	0	10	BJAE	
CC[C@](N)(CC1CC1)C1=CC[C@H](C(C)(C)C)CC1	2061113095	LNNBZMMGLJHXJW-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(C(=O)CC[C@@]23CCC[C@H]2C3)CC1	2061604744	BHUDSAIGBAQXAJ-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@H]2CCCCCC23CC3)C1	2062018252	RBNZKXSPWHZKRX-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]1CN[C@@H]1CCCCCC12CC2	2062018303	DHBGTTWJGFGCKB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(N[C@@H](CC)c2occc2C)c1	2063670082	ADUCYUGKLOZKSR-HNNXBMFYSA-N	243.350	4.714	0	10	BJAE	
CC1(C)CC12CC(C(=O)CC1CCC=CCC1)C2	2064133466	VCFGRRLIRVHCIF-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
CC1(C)C[C@@H]1CCCN1CCC12CCCCCC2	2070393004	OZGFJLRVEMDGEB-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@]23CCC[C@@H]2C3)CCCC1	2070954595	JCNKEUCWWUTZPS-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1cccc(CC(C)C)c1	2071491385	XCJWGVVALYRSEQ-GDBMZVCRSA-N	244.378	4.504	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H]2CCNC3(CCCC3)C2)C1	2074145550	QYPKXDREVIJYER-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCN([C@H]2C=CCCCC2)CC(C)(C)C1	2075406672	DTKPHJLNMDSFGT-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
C[C@](O)(CCC1=CCCCC1)C12CCC(CC1)C2	2075715843	IDZCUQSSWXDSTD-CGZBRXJRSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](C[C@@H]1C=CCCCC1)NCC	2079437924	DSNZPUBRKUVEQV-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
N[C@H](C[C@H]1C[C@H]1C1CCCC1)C1CCCCCC1	2079631713	CTPNMDSWLANOKG-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2C[C@@H]2C2CCCC2)CCC1	2079833314	SSRIKBFOWCJZQA-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1cc(C)cc(C)c1C	2082926476	VHNICVPRZNEOSR-QGZVFWFLSA-N	245.410	4.748	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C2C[C@@H]3CC[C@H]3C2)C1	2082982655	MMNIOIPMTJJNIP-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](CC)Oc1ccc(C=O)cc1C	2086297071	CAWDHQRZSXGJAB-HNNXBMFYSA-N	248.366	4.545	0	10	BJAE	
CCC/C=C/CNc1cc(C)c(Cl)cc1F	2210739912	ZVEBVNGMRIWEMK-AATRIKPKSA-N	241.737	4.556	0	10	BJAE	
CCC[C@@H](C(=O)CCCCC1CC1)C(C)C	2211105716	SANAXYFGYBOGIL-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(Cl)cc(O[C@@H]2CCC[C@@H](C)C2)c1	2212534309	YLYPZJXJWOBLDH-ZWNOBZJWSA-N	238.758	4.606	0	10	BJAE	
CC1(C)CC[C@@H](CCCCCCC2CC2)CN1	2213576400	PJTSPKNZZVZLPG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC[C@@H](N)CC1CCCCC1	2215243915	GDJAPHOOSAVZOH-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC[C@H]1C[C@@H]1C)CNC(C)(C)C	2215249859	MLZRVVQRYQDGPA-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCNCC(CC)(CC)CC[C@@H]1C[C@@H]1CC	2215267809	ZNQDDGIZOVDSNB-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC1(C)CC2(CCC2)C1	2215462367	YBPKNERXMZFFCL-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CCCCC(F)F)CNC(C)(C)C	2216436244	XPKNAHYAFZIYJP-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC[C@](C)(CNC1CCC1)C[C@H](C)CC(C)C	2217159892	SRIPHHWTKUIVQE-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C(=O)CCCCC2CC2)cc(C)c1F	2220007824	VOUMEEJAOGLYNU-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@H]1CC[C@H]1C	2220526825	LKQYRXPZKKTQIC-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CCN[C@H](CC1(C)CC(C)(C)C1)[C@@H]1C=CCCC1	2221017129	SJLNUEJSFQEEHF-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)C(C)(C)C2CCC2)CC2(CCC2)C1	2221040112	MWBXJYQVBZPZGC-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@H]1C)[C@]1(C)CC=C(C)CC1	2221627854	BOKYTTGDROQHTR-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)c2cc(C)cc(C)c2)CC1	2221644760	UWPVBKBVQVGGQK-QGZVFWFLSA-N	242.362	4.623	0	10	BJAE	
C[C@@]12CC[C@@H]1CCN2CCCCCCCC1CC1	2223123081	MIKPEPWMLVZSQZ-IAGOWNOFSA-N	249.442	4.611	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H](CC)CCC	2244786065	YVKVWEDURAOAST-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC[C@@H]2CCC[C@@H](C)C2)N1	2246688792	VRODQNXOVCTJKI-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC[C@@H]1CCC[C@H](C)C1	2246724576	DPWGNTGJIFRDTF-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC1CCCCCC1	2248864225	BKFOTVQOSNZUFK-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CNc1cccc(C(C)(C)C)c1	2249250970	NKJZULOZEJLBNH-UHFFFAOYSA-N	233.399	4.832	0	10	BJAE	
CC(C)=C(F)CNc1cccc(C(C)(C)C)c1	2249260462	VFZLFFHSEUYBJU-UHFFFAOYSA-N	235.346	4.659	0	10	BJAE	
CC1CC2(C1)CC(CCC(=O)c1cccs1)C2	2250444476	KLASPTGFXJNTDC-UHFFFAOYSA-N	248.391	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNCC=C1CCC1	2250470400	ZPYMPZYCCQIIRS-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)c1ccco1	2250495832	MCVYFEOFWKRPRQ-UONOGXRCSA-N	238.371	4.556	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)CC1(C)CC1	2250516605	KASYUWNTEKHZPJ-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@]12CCCC[C@@H]1CC2	2251098618	FRTNCAQMDQLZNS-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C)NC[C@@]12CCCC[C@H]1CC2	2251200403	DOSXDGRPFNJTHU-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@](C)(N)CC1CC(CC(C)(C)C)C1	2251495763	ZDZZZTLAMSMRSN-ZBCRRDGASA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H](C)C[C@]1(N)CC(C)(C)CCC1(C)C	2251666121	OSNAJFPVMXSCOB-BBRMVZONSA-N	239.447	4.602	0	10	BJAE	
C[C@@](N)(CC[C@H]1CCCCC12CC2)C1CCCC1	2253844783	VPUMNKUQZADEFZ-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CCC[C@@H](C2CC2)C1	2254598755	ROQXAPMYCAZYGI-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@@H]2CCC23CCC3)CCC1	2255018624	PNWUMLFRKKGYOA-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@](N)(CC1=CCCCC1)C2	2255102310	LVIIXPQYDIDCNX-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CCNC[C@]1(CC2=CCCCC2)CCC[C@H](C)C1	2255104826	XSKSIGUAFDRYIL-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CCCCC1CC(NCC[C@H]2CCCC23CC3)C1	2255249168	VZNSBJUCDPZUFZ-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@H]1C)[C@@H]1C=CCCC1	2257298735	AAEQNSZLOIKSKY-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
Cc1c(F)cccc1NCCCCC[C@@H]1C[C@H]1C	2257337960	GRGDCCJPJUJLKI-TZMCWYRMSA-N	249.373	4.762	0	10	BJAE	
O=C(CC[C@@]12CCCC[C@H]1CC2)CC1CCCC1	2260569751	XPKNKGMQMRUMFN-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@]23CCC[C@@H]2CC3)C1	2260575528	TXKRARPEIKJZOF-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CCC1(NC[C@]23CCCC[C@H]2CC3)CCCCC1	2260593584	XRDRWGQJZLPKMM-JKSUJKDBSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](NC[C@H]2CC=CCC2)C1	2261386655	QONAIPXLNJVHLN-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(CCN[C@@H](C)CCCC(C)C)C1	2298841321	CYYPVYPFGPXTBD-FHERZECASA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CC1)[C@@H](O)C1(C)CCCCCCC1	2298926473	MPPLPJBIIZWIGE-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@H](C)CC1CCC1	2298927939	XOWQIBRZTIGIBT-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1cc(C)cc(C)c1	2300688745	PXSFWFZMJZXVCZ-MRXNPFEDSA-N	234.383	4.553	0	10	BJAE	
CC(=CC[C@]1(CO)CC1(C)C)CCCC(C)C	2300894335	GMGYOSCTEPENMG-MRXNPFEDSA-N	238.415	4.558	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N[C@H]1CCCC(C)(C)CC1	2301686765	XZOLPAYROZTIJK-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)[C@H](C)C1CCCCC1	2301837953	CPYGZYVTOPQELU-BFHYXJOUSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cc(F)ccc1C(C)C	2301907676	LFNKCAFOFJOPTL-VXGBXAGGSA-N	237.362	4.796	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C[C@@H](O)CC1CCCCC1	2301959139	QRAYFKAIPLOTEV-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CC(C)(C)[C@@H]1C	2302080455	RHHKFXBPIPBPFY-DOMZBBRYSA-N	231.383	4.657	0	10	BJAE	
CCCc1c(C)[nH]c2ccc(C(C)(C)C)cc12	2302549825	XIFGMRKUFLNLDC-UHFFFAOYSA-N	229.367	4.726	0	10	BJAE	
CCc1cscc1NC[C@@H]1CC2CCC1CC2	2302884681	HVZXKGRETWBXAP-UBHUBRDASA-N	249.423	4.549	0	10	BJAE	
CCc1cscc1N[C@@H](C)c1ccccc1F	2302892965	QSXYFBZOOWJCIC-JTQLQIEISA-N	249.354	4.623	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@H]1CCC(C)(C)C1	2302904535	JOXBFMQVYBMLGO-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H]1C(C)(C)C	2303398580	MPENOESJNHTKNN-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC[C@@H]1C(C)(C)C)C(C)(C)C	2303512659	WCTYBKMBSMWTTO-AGIUHOORSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC[C@@H]2C[C@H]2CC)CC1	2303571884	SDXBLHAIYJTCLA-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2CCC(C)=C(C)C2)CC1	2303592223	ISOWVECVAGOXEM-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1CCCCC12CC2	2307760009	CTFAALUPAFYGQP-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)CC12CCC(CC1)C2	2307891349	BXTORWXLXHFQEQ-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC(=O)CC2(CCC2)C1	2307897997	GSIMFTNJVDVGGR-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)CCC)CC1(C)CC1	2307905504	XIINPTCVIYCMIJ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C[C@@H]2C[C@H]2C2CCCCC2)C1	2311609263	RMZMALPGMMTKMQ-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@H]1C[C@@H]2CC[C@H]1C2	2312909236	JMNZLVRBCZCCFQ-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)[C@@]23CCCC[C@@H]2CC3)C1	2313304723	AXAMQVQZEHMZNP-KLZNWCGWSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(C[C@@]23CCC[C@@H]2CC3)C1	2313353653	RYMOJCXWJABODT-NCOADZHNSA-N	249.442	4.502	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)CCCCC12CCCC2	2313669595	USINZWNXENGDGG-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCc1cc([C@H](CCC(C)(C)C)NC)ccc1C	2314701214	AIUIVAZMOAOMTL-INIZCTEOSA-N	247.426	4.644	0	10	BJAE	
NC(CCC1CCCCC1)(CC1CC1)CC1CC1	2315448701	FAQWWWFRZJWTDD-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(=CC=C1C[C@@H](N)C12CCC2)CCCC(C)C	2316535043	FZSQTXMWRASGMZ-MRXNPFEDSA-N	247.426	4.587	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@H]2CC[C@@H]21)CCCC(C)C	2316537387	QQOBGCHYQPETMV-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CC(=CC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1N)CCCC(C)C	2316553944	FHPZECIUMSMCGH-LUKYLMHMSA-N	249.442	4.523	0	10	BJAE	
CC=CC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC1CC1	2316568545	RBEPHFHGVOVFOI-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316871370	ADBKCFJYWDTUKL-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H]1C[C@H]2CCC[C@H]1CC2	2316887516	YQIOMWZHLSJCDT-QZWWFDLISA-N	249.442	4.680	0	10	BJAE	
C1CCCC(NCC2[C@H]3CCCCCC[C@H]23)CC1	2318439434	FYLCZMNTHJXINV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1CCCC1=CCCCC1	2318598043	PETSLLBXMCWPEE-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)c2ccc(F)cc2)C1	2319290677	JQFNSDPOXRFPPK-LBPRGKRZSA-N	248.341	4.615	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CC[C@@H]2C2CC2)c(C)c1	2319737458	ATCLJQCZINXHHM-JKSUJKDBSA-N	243.394	4.542	0	10	BJAE	
CC(C)c1cccc([C@H](N)C2=CC[C@@H](C)CC2)c1	2320523336	LZXYZLOJVBEJAX-CXAGYDPISA-N	243.394	4.556	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)Cc1cccc(C(C)C)c1	2320635950	HZOUVIOJFUURBG-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
COc1ccc(CCCCCC2CC=CC2)cc1	2320831094	ZQTULZAJFLVADS-UHFFFAOYSA-N	244.378	4.764	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CC[C@@H](C(C)C)C2)c1	2321089039	HYHJVDOSWOEHAD-UKRRQHHQSA-N	249.373	4.625	0	10	BJAE	
Cc1cc(N)cc(-c2cc(C)ccc2C(C)C)c1	2327780563	CUPSRPQYVZBZMH-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CCCCC(=O)C2)c1	2327793440	BMGRSUAIPIELJI-CQSZACIVSA-N	244.378	4.735	0	10	BJAE	
CCC[C@@H](Nc1cccc(C(C)C)c1F)C1CC1	2327808081	QPPJDWDHGQATAG-CQSZACIVSA-N	249.373	4.940	0	10	BJAE	
CCc1cccc(N[C@H](C)c2cc(C)oc2C)c1	20438385	AWLCIGUQTGCNOQ-GFCCVEGCSA-N	243.350	4.632	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1C)[C@@H](C)CCC	35579527	FQIAHWCWQSVCFD-WMLDXEAASA-N	247.426	4.780	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)C2CCCCC2)c1	37212475	AXFXRPJZRZMCGS-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
CCCc1ccc(N[C@@H](C)c2ccsc2)cc1	50338995	DYYGCRHCHDKJNK-LBPRGKRZSA-N	245.391	4.874	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1ccc2ccccc2c1	54440250	JVULLGOMUMXECR-INIZCTEOSA-N	242.362	4.700	0	10	BJAE	
CCc1ccccc1N[C@H]1CCC[C@H](CC)C1	71105884	IZPPQSVYRVAMIV-ZFWWWQNUSA-N	231.383	4.630	0	10	BJAE	
CCc1ccc2c(ccn2[C@H](C)c2ccccc2)c1	75233149	DPHNBMPBPLRWNX-CQSZACIVSA-N	249.357	4.813	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@@H]1CCCC(C)(C)C1	79975000	VXQZZPZSDRCHJG-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCC[C@H](C2CC2)C1	81624161	MNCLISXGMULYOR-DZGCQCFKSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@H](CC)COc1ccc(C)cc1	82175675	OTPXTQKAEMLQQG-AWEZNQCLSA-N	220.356	4.590	0	10	BJAE	
CC(C)(C)CCNc1ccccc1C(F)(F)F	83373915	MNQLAOJKJDPELR-UHFFFAOYSA-N	245.288	4.554	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CCC[C@H](CC)C1	87989160	NMRYVCBQIZZEOT-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC1(C(=O)c2ccc(F)cc2)CCCC1	94898995	GSXSNZCPBGEEQH-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CSc1cccc(NCCC2CCCCC2)c1	107740727	WSUBFXLPICRQKI-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
C1=Cc2cc3ccsc3c3cccc1c23	137844797	LCRHBJGTTYTGKQ-UHFFFAOYSA-N	208.285	4.538	0	10	BJAE	
CC1CCC(N[C@@H](C)C2CCCCCC2)CC1	149807791	CKOHTPHPXGJPJH-BBBYJDLNSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)(C)C)C(C)(C)C	164692758	HBGJMYUUPKELAY-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)CC(=O)c1c(Cl)cccc1Cl	168051471	RYQIILDTVCTTAC-MRVPVSSYSA-N	245.149	4.612	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@H]1N[C@@H](C)c1ccccc1	196089488	RJJQPZHIBPSGBC-UAGQMJEPSA-N	245.410	4.552	0	10	BJAE	
Clc1ccccc1SC1CCCCC1	204854966	CAQZLKWKFXKIMU-UHFFFAOYSA-N	226.772	4.765	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@H]2C(C)C)cc1	214427110	KVHMMFDUHYDNRS-JKSUJKDBSA-N	231.383	4.622	0	10	BJAE	
C/C=C/C=C\CCCCCCCCCCO	223901477	ZHBBYNQMCOFBFC-IAROGAJJSA-N	224.388	4.622	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CCC[C@@H](C)C1)C(C)C	227180227	UGSKTKGNWYHIMT-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC(C)C)C[C@@H](C)CC(C)(C)C	229179981	CHXVQLHXGRXRSA-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C1=C([C@@]2(C3CC3)CCCCCN2)CCCCCC1	232452353	SCWIUFRAOPJKPS-QGZVFWFLSA-N	247.426	4.579	0	10	BJAE	
CC(C)[C@@H](C)c1c[nH]c2c(Cl)cccc12	232716853	YEUHCZCBKHVWKY-SECBINFHSA-N	221.731	4.581	0	10	BJAE	
CCC1(CN[C@H](C)c2ccc(C(C)C)cc2)CC1	233093286	BMRLXDYNKAFVED-CQSZACIVSA-N	245.410	4.651	0	10	BJAE	
CCCCC[C@](C)(O)[C@H]1CCCC[C@H]1CC	250804474	FCABACLTKVRGQH-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H](C)C(C)(C)C)CC1	252906717	VETJSININZDGAA-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@H](C)CCC	252909217	ZNJUZMGSEBPVRL-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CC(C)c1cc(Cl)cc([C@H](CC#N)C2CC2)c1	260629803	ORPZSMXVTUKTIV-OAHLLOKOSA-N	247.769	4.871	0	10	BJAE	
CCCC[C@H](C)c1nc2cc(Cl)ccc2[nH]1	300984625	UXDXHAHBIRJRIE-VIFPVBQESA-N	236.746	4.510	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)CCC1CCCCC1	302240232	DDBNTSKLZNVRLT-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)CCC1CCCCC1	302248605	JSLULNZPNJAZDC-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CCNC[C@H]1CCCC[C@H]1CCCC(C)(C)C	302290115	LBHUPTGCTJAGOT-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
Cc1[nH]c2ccc(Cl)cc2c1CC(C)(C)C	304319717	CAGUENFRQRLZER-UHFFFAOYSA-N	235.758	4.718	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](C)CCC(C)(C)C	304400313	NZRRRNTYKVGDSX-IHRRRGAJSA-N	227.436	4.616	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1cccc(C2CC2)c1	305922984	MOQLCWOSBFOQBK-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC[C@@H]2CC)cc1C	306052574	UJGXBCNWNRRKSN-DOTOQJQBSA-N	245.410	4.938	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCc2cc(N)ccc21	306075077	FOXIDWFDXKTBHI-LBPRGKRZSA-N	231.383	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1ccc(C)c(C)c1	308105179	IVUBFHDEFIQMIA-OAHLLOKOSA-N	246.394	4.949	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@]2(C)CCCC[C@H]2C)C1	308695670	DVQIBQBBTWNPMN-PQEBFOHHSA-N	249.442	4.537	0	10	BJAE	
CCCCC1(CNC(C)C)CCC(C)(C)CC1	317843183	GDVYMTPZFNTFIR-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](Nc1cc(C)ccc1F)C1CCC1	322311918	YUEVPWYVWJFTCP-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H](Nc1ccc(CC)c(C)c1)C1CCC1	322851310	PSVYEXDVYRPIPP-QGZVFWFLSA-N	245.410	4.938	0	10	BJAE	
C[C@H]([C@@H](O)CC/C=C\c1ccccc1)C(C)(C)C	324066719	XHGCTBRXSISFLN-JSOJCCHWSA-N	246.394	4.523	0	10	BJAE	
CCC[C@@H](NCC1CCCCCCC1)C1CC1	324577884	WRBSTTLRAHZFJC-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C/C(=C\Cl)COc1ccc(C(C)(C)C)cc1	380872711	KZYBNPPMRHCIED-PKNBQFBNSA-N	238.758	4.506	0	10	BJAE	
CCCN[C@H](c1ccccc1CC)[C@H](C)C(C)C	381167470	JNQQQCOTZYALFX-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCC[C@H](C2CC2)C1	382682793	XRPQCCVOCXVLNN-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2(C)CCCC2)C1	383582874	FWHVJWSGTLVUHQ-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@H](N[C@H](C)CC(C)(C)C)c1ccccc1	384945331	QZXAKFRGOASQMV-ZBFHGGJFSA-N	247.426	4.798	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C[C@@H](C)c1ccccc1	385068911	VOIFDUPPANPNPL-LZWOXQAQSA-N	244.378	4.576	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)c2ccc(C)cc2C)CC1	385474522	DDHJBPQHWPAROO-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H](NCC(C)(C)C(C)(C)C)C1CCCC1	387479463	CHACHMPKPDBNOE-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	388708738	OYWYGOVMSXPTQZ-HHARLNAUSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(Nc2ccsc2Cl)C[C@@H](C)C1	395662019	YZTBWLNFFHTASJ-IUCAKERBSA-N	243.803	4.638	0	10	BJAE	
CCc1c(F)sc2cccc(C(F)F)c12	396241037	LNLDNZMSYSUAIT-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1C)[C@H]1CC1(C)C	397672165	QOHYUCBGPNJIHB-KGLIPLIRSA-N	231.383	4.540	0	10	BJAE	
CCC[C@H](Nc1cc(C)ccc1F)[C@H]1CC1(C)C	397834436	XOIBEJOAJHDUMM-OCCSQVGLSA-N	249.373	4.761	0	10	BJAE	
Cc1c(F)cccc1C(=O)CCCC(C)(C)C	399054113	HEOUXJMZJGWNKI-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
C[C@@H](C(=O)CCC1CCCCC1)C(C)(C)C	399120022	LLRMIUBJZOBCBI-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)(CC[C@@]1(O)CCCCC1(C)C)C1CC1	406049328	GBZWAEUVSRIOLX-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC(C)(C)CC(C)(C)C	691096454	AJFKXZKOCSHSQQ-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1ccc(C)cc1F	691132165	BDPNOHMRAKIFNP-HIFRSBDPSA-N	249.373	4.905	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCCC1=CCCCC1	691147209	HOORDHZIEJOLKZ-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@@H](C)C(C)(C)C	691169894	UTYPVGXGTXYHQR-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CC(C)(C)CC)NCC	696162910	FGHVFTQJXCICOE-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)C[C@H]1CCC(C)(C)CC	696799031	INGHZRUUSLNVKA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@@H]1C[C@H]2CC[C@H]1C2	697774683	MXBONHXPIUKGJN-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(=O)[C@@]2(C)CC[C@H](C)C2(C)C)cc1	699078209	OEZADKHPILLTPS-SUMWQHHRSA-N	244.378	4.640	0	10	BJAE	
CCCN[C@H](c1ccccc1C)C(C)(CC)CC	701152838	YMBYCNGMBHRKHM-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@H](C(C)(C)CC)C1(CC)CCCC1	701181404	TZLYLVVSUIFHIZ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@@H](C)CC(C)(C)C	701243427	LOYJTIWNXQSITP-OLZOCXBDSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@]1(C)CC1(C)C	702186345	MYBJDQHFIYWDFF-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cc(C(C)(C)C)ccn1	703861034	BBYDLYJHPYSUJK-LBPRGKRZSA-N	248.414	4.616	0	10	BJAE	
C/C=C\[C@H](NCCC)c1cc2ccccc2s1	704671844	ISVHUXFMKMSJEY-QTEJZOKPSA-N	245.391	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCCCC[C@H]2C)C1	704931429	VCYAHNJBVOSBIO-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
Cc1cc(F)ccc1NC[C@@H](C)CC(C)(C)C	709099969	DQZDYRYGCULKCA-NSHDSACASA-N	237.362	4.618	0	10	BJAE	
C[C@@H](C[C@H](O)c1cscc1Cl)C(C)(C)C	710428949	WLSBRPZHPHKTKI-KWQFWETISA-N	246.803	4.507	0	10	BJAE	
CC[C@H](C(=O)C[C@@H](C)C(C)(C)C)c1ccccc1	711142754	COMWUCQSZCQZSJ-HIFRSBDPSA-N	246.394	4.822	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@@H]1CCCC1(C)C	713125005	KYJKLNWPQSWFFC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCC[C@H](CC)CC(F)(F)F	713667562	BAAGNMMVVVHMAQ-QRGHLMKCSA-N	220.278	4.878	0	10	BJAE	
CCCN[C@H](CCC(C)(F)F)C[C@@H](C)CCC	714027594	MYWLQOYBRBQBSG-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)CCc1cccc(C(C)(C)C)c1O	718579735	UKUICGJOUTYPMW-UHFFFAOYSA-N	246.394	4.979	0	10	BJAE	
CCCN[C@H]1CC[C@](C)(CCC(C)=C(C)C)C1	718649327	DBZBSQOTZQHORP-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1ccccc1C(C)(C)C	723128870	NSQDTVBQCNTYEA-OLZOCXBDSA-N	244.378	4.603	0	10	BJAE	
CC1(CNC2CC3(CCCC3)C2)CCCCCC1	1180392103	AATNPXIBGFCGBQ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C=C/C=C/CCSCC1(C)CCCCC1	1189381237	NHJKIOXZXAMAPX-SNAWJCMRSA-N	224.413	4.822	0	10	BJAE	
C=C/C=C/CCN1CCCCC12CCCCCC2	1460956272	IIGLBSVLYNUXTQ-ONEGZZNKSA-N	247.426	4.698	0	10	BJAE	
FC1(F)CCC(CSc2cccs2)CC1	1652606266	GBNZRNJPMXRTNA-UHFFFAOYSA-N	248.363	4.666	0	10	BJAE	
C1=C(CN2CCC[C@@H]2CCC2CCCC2)CCC1	1652910267	YJPBGITYIYUWOR-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
CCC(CC)c1ccc(C)c(Br)c1	1889469960	GBBUDXJJEQBVQU-UHFFFAOYSA-N	241.172	4.661	0	10	BJAE	
CC[C@@H](C)Nc1c(C)cc(Cl)cc1Cl	1900247632	DKSPYHBCVKTVBD-MRVPVSSYSA-N	232.154	4.512	0	10	BJAE	
CCC(CC)CCC(=O)[C@H](C)C1CCCC1	1900706278	YLDDHHOKDQEFHE-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(N)CCCCC1(C)C	1905309142	UOSQPOAVAVXHPS-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC=CCCN[C@@H]1CCCC[C@H]1C1CCCCC1	1912050164	NCBBJNYRWHELEJ-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1(CCC[C@@H](N)C2CC3(CCCCC3)C2)CC1	1912638066	LULZDRMDUJNNHT-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCCN[C@H]1CCC2(CCCCC2)C1	1915854694	KJBMRPVYSVUNDU-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
O[C@]1(C2=CCCCCC2)CCC2(CCCCC2)C1	1915863219	KNYWJJAZYONPRM-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CCC2(CCCC2)C1	1916433048	XXEXFMJWINDTLZ-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@]1(CNCCC)C=CCCC1	1916562475	GCUOLHXFILJEFM-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CCC1CCC([C@](N)(CC)C[C@H](C)CC)CC1	1920196622	KVSMDNLCOZADSW-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(C)CCc1c(C)ncc2ccccc12	1922709134	JUWOUJDMKQOZKN-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
C[C@H]1CCCc2nc([C@H](C)C3CCCCC3)[nH]c21	1924110468	XUDLKAKCKBDRTI-NWDGAFQWSA-N	246.398	4.533	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H](C)C1CCCCC1	1924141664	JDRRKXDMYOVPOP-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC[C@H]2C=CCCCC2)C1	1925819073	HHAQLQSNRPCZFP-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CCN[C@H]1CCCCCC1(C)C	1926194052	QQUMNCRFRPXGKQ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(CCC(C)C)=C1CCC(C)(C)C[C@@H]1CN	1927177731	WCNZRPVRWKSKMC-CQSZACIVSA-N	237.431	4.524	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)c1ccc(C)s1	1937268567	RAEIVQLIXOWYDP-AAEUAGOBSA-N	239.428	4.533	0	10	BJAE	
C[C@H](CC(=O)c1cc2ccccc2s1)C1CC1	1940724207	ZXPJKAHFWQBJRM-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](N)C[C@H](C)C(C)(C)C	1941271885	GKXPQCACOAPFHU-ZNMIVQPWSA-N	241.463	4.704	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CCCC2CC2)CC1	1941583923	KDPSYVJXXPJBTN-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)C[C@H](C)CC	1941591857	OVNAVPPDAOZNOP-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCNCC1CCC=CCC1	1941796800	MQVDXZWHFZAQSD-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@H](CC(C)C)C(C)C	1942654919	DXSBWFHCXFCVHK-HUUCEWRRSA-N	240.431	4.946	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)[C@@H]1CCC(C)(C)C1	1945594194	STIBVPHFNISAPB-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H]1CCCCC1(C)C	1947445325	ACVRGUPBZQNLRX-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C[C@@H]1C=CCCC1	1947576789	QJNIXZAGZCSYCS-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)[C@H](C)CC(C)C)c1	1948327147	OMKBZYYROUCVMZ-CHWSQXEVSA-N	237.362	4.617	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C1=CCCCCCC1	1948950604	HGYJWNGFKKCIDX-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C1=CCCCC1	1948974939	QZDMIGLTKYCPAH-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CCC(C)=C(C)C	1949043917	RVPORRNDARJHDV-ARFHVFGLSA-N	237.431	4.667	0	10	BJAE	
Cc1cc(C)c([C@H](N)C[C@@H]2C=CCCCC2)s1	1949158171	OUVVJYHXUXQCKA-ZIAGYGMSSA-N	249.423	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CC1CC(C)(C)C1	1949732651	FHPUTHRICRJEBQ-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)C1(N)CC2(CCC(C)CC2)C1	1950488099	HTMXOOWQPFXADU-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C=C(C)C)[C@@H]1CCCC(C)(C)CC1	1950915286	YXJVIWYITRWJIO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CC1(CO)CCC(C)CC1	1950915657	BYAPDZCKRYLJJP-PCKAHOCUSA-N	240.431	4.782	0	10	BJAE	
CC[C@H](C)C[C@H](NC)[C@@H]1CCCC(C)(C)CC1	1950916277	AAYGXCMYJLTHQB-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](NC1CCC(C)(C)CC1)c1occc1C	1969738073	HWZFYKUKPHGXGZ-AWEZNQCLSA-N	249.398	4.598	0	10	BJAE	
C[C@@H]1CCCCCCN1CCC1CCCCC1	1970729814	KJXRRXHLVGOUGC-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCCC[C@@H]1C(C)C	1973163762	JIJNXDAVVHMDGK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC[C@H](N)c1cccs1	1980687961	RPKWZIMIXILMIP-ZDUSSCGKSA-N	239.428	4.745	0	10	BJAE	
CC(C)=CCCc1ccc(C(C)(F)F)cc1	1981863780	ITDKRIVHFRFSGY-UHFFFAOYSA-N	224.294	4.697	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CCC[C@@H](CC)C1	1984574791	FACUNNZTPUAVNY-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](CC)CC1CC1	1990092970	GGBSPYHAHZJXKV-HUUCEWRRSA-N	225.420	4.514	0	10	BJAE	
CCC[C@H](CC)N(C)CCCCCC(C)C	1990849686	UQRATRCICBKJSN-HNNXBMFYSA-N	227.436	4.713	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2C=CCCCC2)c1	1990968366	ISAKKXCBPAWLIP-LBPRGKRZSA-N	235.758	4.559	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@H]1C=CCCCC1	1990987571	NUIYRZKLXFMGKU-ZDUSSCGKSA-N	236.742	4.526	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CC(C)(C)CC)CC1	1997117645	SFZCENZFVSHAIN-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1ccccc1SC1CC1	1998742396	MZZJGGIWBFHLMS-AAEUAGOBSA-N	247.407	4.542	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H]1CCCC(C)(C)C1	2000103954	BJEXJVLPBINKCC-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
C[C@@H](CNC(C)(C)C)C[C@H]1CCCC(C)(C)C1	2000161536	GMCPNTXNPBQPOG-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CCCC2(C)CC2)C1	2000188184	BJZRAPPJPHHHPY-OCCSQVGLSA-N	234.383	4.518	0	10	BJAE	
CCCC1(C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)CCC1	2000194815	IICCICWKNCRXIY-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC)C1(C(C)C)CCC1	2000389601	FNTBKGRSMJAWGG-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNCCC)CC1=CCCC1	2000520343	JSDRZKGEIDPOBS-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@@H]1CC12CCCCC2	2001218747	XZJICZHSVKWRKL-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H]1CC[C@H](C)CC1	2003067827	YDTOWMUTDYFMBC-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)nc(-c2cccc(C(C)C)c2)c1	2003077149	KGWQHSBSXSJUKK-UHFFFAOYSA-N	245.753	4.834	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@H]1CCC2(CC2)C1	2003208335	MLJVZKHBFSIZRT-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@@H]1CCCC(C)(C)C1	2009591051	IIWAHOIVJXPXLA-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCCCC(C)(C)CNC1CC(CCC)C1	2009717467	JWQGFNAKQJRUDH-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C1=CC[C@@H](C(C)C)CC1	2010713869	GAFRWJGWNNAGOF-HIFRSBDPSA-N	238.415	4.556	0	10	BJAE	
C[C@H](CC(=O)CC1CC(=C2CC2)C1)C(C)(C)C	2011075613	QFJGYKPYDDFZHA-LLVKDONJSA-N	234.383	4.518	0	10	BJAE	
FC(F)c1ccc(CC2CC(=C3CC3)C2)cc1	2011086521	DEGPSETZDBRATI-UHFFFAOYSA-N	234.289	4.667	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CC(=C2CCC2)C1	2011092343	WHTQVIKGEJSTJL-UHFFFAOYSA-N	232.367	4.583	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011982988	NLGCWYLUZQMYKM-QKDCVEJESA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](C[C@@H](C)CC(C)(C)C)N1	2013525377	SRFAGYVVDSSZFF-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
CC(C)C(CC[C@@H]1CCCC[C@]1(C)O)C(C)C	2015348176	UPGJIMNPORQNAO-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H](C)C[C@@]1(N)CCCC12CCCCC2	2015402865	XZRSILZZUADAEE-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](N)C2(CCC)CCC2)CCC1	2015598272	SCUYZPNKGQLJPM-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@@H]2CCC(C)(C)C[C@H]2O)CCC1	2015634458	RRUGZSNHGHKKLN-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@](C)(CC)CC1(CCC)CCC1	2015642168	NFJOMIITOKHCNA-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)C1CCC(C)(C)CC1	2017485078	CAZYMIKDEIJLJV-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)[C@H]1CCC2(CCCC2)C1	2017703223	RMYWOFBBBWIFBW-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(N)CC(C)(C)C)CC1	2017728739	OPAJGRYHVTWLRZ-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@](N)(CC)C1=CCCCCCC1	2018134578	PZOZYDYMFAIJIG-INIZCTEOSA-N	237.431	4.955	0	10	BJAE	
CCC1(C[C@H](N)[C@H]2CCCC(C)(C)CC2)CC1	2018991367	JTWJBYISOPHJFE-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](O)(CC)CCC1=CCCCC1	2019778768	LUVQIMOBCIERKM-MRXNPFEDSA-N	238.415	4.988	0	10	BJAE	
CCCCN(C(=N)CCC)C1CCCCCC1	2020541087	JVBXPCAAFQHJMO-UHFFFAOYSA-N	238.419	4.589	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1CCC[C@H](C)C1	2020964438	HIIAXZKMCBMZCU-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1CCCC[C@H]1C	2020966436	FRWHORRBWUDIIV-BMFZPTHFSA-N	237.431	4.537	0	10	BJAE	
c1ccc(C2CC2)c(NCCCC2CCC2)c1	2021028301	PDZVTBQLBFQXFB-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CCC)[C@@H](C)CCC	2022486239	WIDAULLOEXLVAJ-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](O)C2CCCCC2)C1	2024129953	ZHTYLZDUVFAHEZ-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)CCC2(C)CC2)cc1	2027732091	KMSQEJBCTMVNNF-CZUORRHYSA-N	245.410	4.780	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CC[C@@H]1CC1(C)C	2027811375	BHURBLLYDAZYGE-CZUORRHYSA-N	245.410	4.636	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C[C@@H](C)CC(C)C	2027899371	NZWBESRUTRKGJZ-YOEHRIQHSA-N	248.410	4.745	0	10	BJAE	
CCCCCC[C@@H](O)Cc1ccccc1CCC	2027903447	MGUJKOYPXQFCEF-QGZVFWFLSA-N	248.410	4.513	0	10	BJAE	
CCCN[C@H](CC(C)C)c1ccccc1C1CC1	2028549987	RLBOTRISSXBXOW-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC2CC3(CC3)C2)CC1	2029885640	XOVHVLYCNRHPLA-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H](NC2CCCCCC2)CC2(CC2)C1	2030287997	LCNUIUFJVLAIIL-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
N[C@H](C1CCCCCC1)[C@@]12CCCC[C@@H]1CCC2	2031758383	KIIYBUWLGHBDPT-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@]12CCCC[C@H]1CCC2	2031760504	MBIZHCVERSDEFT-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
C[C@H](CNc1ccc(C2(C)CC2)cc1)C1CCC1	2032243269	SRDHKMZQRAUDNL-CYBMUJFWSA-N	243.394	4.586	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C1C[C@H]2CC[C@H](C1)C2	2033101939	WKZJDZLRTKDOJK-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H]1NCC12CCCCCC2	2034046455	JSDMVSHDTUKUFA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@@H]3CCC[C@H]32)CCCC1	2035884452	APRQINSYVUTVTM-USXIJHARSA-N	249.442	4.658	0	10	BJAE	
CC(C)NCC1([C@H]2CCC3(CCCC3)C2)CCC1	2037704659	RXYQPKMKBXDRTC-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@H]1CCC(C)(C)[C@@H](NCCC)C1	2037870391	JRGOZCKGPJVNRZ-HOTGVXAUSA-N	249.442	4.703	0	10	BJAE	
CC1CCC(C[C@@H](N)CC2CC3(CCC3)C2)CC1	2037979949	RZUUKZRIBIPFGH-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](CC2CC3(CCC3)C2)NCC)CC1	2038090138	OBFHXDOBKVOKMM-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)CC[C@H]3CCCC[C@@H]3C2)C1	2040166585	QJJNYMNGUCWIAV-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C[C@@](C)(N)C2CC3(CCC3)C2)CC1	2043540921	OWTOQKVXIPFGIZ-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H]1N[C@H]1CCCC2(CCCCC2)C1	2043670860	WLLQKIHYVZABQD-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CC[C@H]1NC1CC2(CCC(C)(C)CC2)C1	2043686452	LVXVPHSQAQELKT-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@H]1CC12CCCC2	2045307099	GVEUVNRSVNQVAL-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@@H](C)N1C[C@@H]1CCC=CCCC1	2045312752	QHFHWCIUTMMLKZ-YYIAUSFCSA-N	249.442	4.632	0	10	BJAE	
CC(C)(C)[C@]1(C[C@H]2CCC=CCCC2)CCCN1	2045324159	SHWYNWPXWIKJAM-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC=C[C@]1(O)C[C@@H]1CCC=CCCC1	2045335652	UYOMVZSIOYXFQF-WBVHZDCISA-N	248.410	4.620	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCCC(C)(C)C2)cc1F	2045452193	ZBOCDXVWGAYQGX-ZDUSSCGKSA-N	248.341	4.533	0	10	BJAE	
CN[C@H](C[C@@H]1CC12CCCC2)C1CCCCCC1	2047024289	SVIHSTLASZQHPK-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CN[C@@H]1CCCCC12CCCCC2)C1CC1	2047588169	XQLUFIHZNCIHGD-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@@H]2CC23CCCC3)C1	2049498557	MGNWWHHBRJMVAR-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1CCCCCC[C@H]1C[C@@H]1CC2CCC1CC2	2049677590	DXAOXVSEHJTUCB-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@@H]1CCCC2(CC2)C1	2049850731	ZVAQXMBRZAHWEQ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@@]1(C)C=CCC1)[C@@H]1CCCC(C)(C)C1	2049980139	WEKZXKSWTUQNAF-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)[C@@]2(C)C=CCCC2)CC1	2049997918	RMUDKNHMSKJPJP-WBVHZDCISA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCC[C@H]3CC[C@@H]32)CC1	2052287989	GOOJMMDQWFFRGB-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@@H](C1CCCC1)C1CCC1)C1(C)CCC1	2052345394	OZFLLHXXOCAZAO-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@H](N)C2(C)CCCCCCC2)cc1	2052475895	PUBFEXXZDSYRGO-INIZCTEOSA-N	245.410	4.745	0	10	BJAE	
CC1(C)CCCC[C@H]1CNCC1CCC=CCC1	2053392692	AXINNOSJZNRRCJ-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CCNC[C@]1([C@H]2CCC[C@H]2C)CCC=CCCC1	2055277170	NBAWMZKBMJINGV-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CCC[C@H](C(C)C)C2)CCC1	2055553391	YOYIUSDAPITYEO-YESZJQIVSA-N	249.442	4.680	0	10	BJAE	
CCC[C@H](Nc1ccc(CF)cc1)[C@H]1CC1(C)C	2055669622	MUHNEHUPUUZTHY-CABCVRRESA-N	249.373	4.783	0	10	BJAE	
CC[C@@](N)(C1CCCCC1)C1CC(C2CCC2)C1	2057495759	OTXIYGIXKTTZCI-BDVYOWHSSA-N	249.442	4.501	0	10	BJAE	
CCc1c(Cl)ccc(C(F)(F)F)c1Cl	2060076011	YTEWJNAOWGYNBV-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(N)C1=CC[C@@H](C)CC1	2060911149	WLYQWEKPSMFOKH-OIISXLGYSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](C1=CC[C@H](C)CC1)C(C)(C)C1CCCC1	2060925098	IOHQMHZHQZJYSA-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)[C@@H]2CCC[C@@H](C)C2)CC1	2061118503	HNCAVDBILXTUJH-YALNPMBYSA-N	249.442	4.523	0	10	BJAE	
CC[C@@](N)(C1=CCC(C)(C)CC1)C1CCCCC1	2061123141	VHGXLIJKODTSQI-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CC[C@]23CCC[C@H]2C3)C1	2061606239	KIJPDOFGBOXNLR-AIANPOQGSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCCCC12CC2	2062018182	QWTNXNQKGFMFHD-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)[C@H]1C=CCCC1	2062653999	XGBJITNVKOYVDO-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]1CCC[C@@H](CC23CCC(CC2)CC3)C1	2065340328	VKXPTNASZRURJE-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC[C@@H](C)CC2)n1	2066348154	YULZBTVYQBMCMW-KGLIPLIRSA-N	246.398	4.586	0	10	BJAE	
CC[C@@](C)(CCC=C(C)C)Oc1ccccc1N	2067110200	KGRLXYIQQQGUOI-INIZCTEOSA-N	247.382	4.563	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)C[C@@H]1CCC=CCCC1	2068269680	ORWYRAXGWHQRPS-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc([C@H](O)CC(C(C)C)C(C)C)c(C)c1	2068843660	MSSRFPKYLSSFQS-QGZVFWFLSA-N	248.410	4.655	0	10	BJAE	
CCCC1CCC(CNC2(CC3CC3)CC2)CC1	2072794028	PPYOKQDNCJZNQZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(N)CCC23CCCCC3)CC1	2072798179	HGEVPSSTRSMAQQ-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(CC(=O)C[C@@]23CCC[C@H]2C3)CC1	2072874642	DRSVDJGJQYNAIQ-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@]23CCCC[C@@H]2C3)C1	2074100740	LYDWQWUYRCWKAJ-MKVSYHDVSA-N	246.394	4.518	0	10	BJAE	
CCC1(CC2(N)CC3(CCC(C)(C)CC3)C2)CC1	2074626490	LFLFDDXZSFZKQK-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@H](C[C@@]23CCC[C@H]2C3)NCC)CC1	2074647827	BVDLEDSHMKIZHL-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N(C)C1CC2(CCCC2)C1	2074896956	SGRAKIBNQGPUSR-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
CN([C@H]1C=CCCCC1)[C@@H]1CCCC(C)(C)CC1	2075401292	LRNMBSFXTBUEIW-JKSUJKDBSA-N	249.442	4.776	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2CC23CCCCC3)C1=O	2076450051	KFERYIZZJCUOHE-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCCN(C1CCC1)[C@@H]1CCC2(CCCC2)C1	2076742829	ANJYDODUWCPHBN-MRXNPFEDSA-N	249.442	4.754	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCc1cc(C)cc(C)c1C	2082906290	VDJIBLKXXSXHAD-SWLSCSKDSA-N	247.426	4.526	0	10	BJAE	
CC[C@H]1CCCC(=C2CCCNC23CCCC3)C1	2083816042	NVQAVBYCMFEYTK-AWEZNQCLSA-N	247.426	4.579	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC1C2(CC2)C12CC2	2086061223	UJLNDJIMOBYRPF-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](N)CCCCCCC1CC1	2210526353	DAWFWFIMRXCEIO-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1scc(C)c1C	2210575720	BLSLUGGDYSHEHG-UHFFFAOYSA-N	236.380	4.684	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)c2cc(C)sc2C)C1	2215459916	XQYVXVMQKFOXGP-ZANVPECISA-N	248.391	4.540	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1c(C)cccc1C	2216046106	LQXBDBZYYMYRBC-GDBMZVCRSA-N	234.383	4.553	0	10	BJAE	
CCC[C@H](C)C[C@H](CN[C@H](C)CC)C(C)(C)C	2217124648	JGFIQMMBZBIPDP-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@H](C1CCCCC1)C(C)(C)C	2217125598	QPLYGIKAIAFEKU-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@@H]1C1CC1	2217239721	DXROBQYTCQIVML-UKRRQHHQSA-N	249.785	4.503	0	10	BJAE	
CO[C@@H](C)c1ccc(C[C@@H]2C=CCCCC2)cc1	2219440091	HCVAHGKOMFZLGE-LSDHHAIUSA-N	244.378	4.683	0	10	BJAE	
CCC1([C@@H](NC)c2c(C)cccc2C)CCCC1	2221991757	ANIPTZBKMMKVRQ-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC1(C)CC[C@]1(CNC1CCC1)CC1CCCC1	2223554307	FXHRDCIAEQUGSO-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(C2CCC2)CCCN1CCC1CCCCC1	2223858486	YZUSHYJBOYMIAF-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1cccc2ccoc12	2224182916	YHSQOVIGFXDXIU-WFASDCNBSA-N	245.366	4.520	0	10	BJAE	
CCC[C@H](CC)C(=O)CCC(C)(C)C1CC1	2244768285	WDMCLSPURAUJMR-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
Cc1ccsc1C(=O)C[C@H]1CCCCC12CC2	2246617132	IUOKVJQHTAIZOF-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CCC[C@H](C)[C@@H](N)CC[C@@H]1CCCCC12CC2	2246633396	ZVDYBKCAYBLKBE-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CCCC[C@H]1C[C@H]1C	2247167253	WVEPZQJUTPUKOM-ILXRZTDVSA-N	239.447	4.569	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC1=CCCCC1	2247500982	ZEMYMFYIOBCUAH-JKSUJKDBSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)NCCCCC[C@@H]1C[C@H]1C	2248867674	XABQUXKAZLPJQV-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC12CCC(CC1)CC2	2250352956	QCTRHNIMLOWINN-LVDPKSTMSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C(=O)C[C@]23CCC[C@H]2CC3)sc1C	2251198623	XBNLDCGHEFJQTE-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
CC(C)C(CC[C@@H]1CCC(C)(C)C1=O)C(C)C	2251723008	KKCCJOCMBVOYFD-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](CC[C@@H]1CCCCC12CC2)CC1(C)CC1	2253825019	RHPFPXDGEVVCJV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@](CN)(CC[C@@H]2CCCCC23CC3)C1	2253837104	CPNZJEKWBYFBPG-PMPSAXMXSA-N	249.442	4.502	0	10	BJAE	
CN[C@@H](CCC1CC1)CC[C@H]1CCCCC12CC2	2253859781	YEJCZDUQKGYDHN-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCC12CCC2)C1CCCCC1	2254967949	ZDJRPRAHGZGMLP-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@H]1CCC12CCC2	2254968347	KDJSKBQPNSBAEA-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC2=CCCCC2)[C@H]1CC	2255094809	CNEBTHYDWFGJED-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)C[C@@H]2CCCC23CC3)C1	2255230749	ZEZUGSYDXAZFDY-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1NC1CCCCCCC1	2256144203	KUAZQHUVEDQJQP-UHFFFAOYSA-N	249.373	4.913	0	10	BJAE	
CC(C)=C(C)CCNc1cc(C2CC2)ccc1F	2259114216	YMYTXRLFPNPDKN-UHFFFAOYSA-N	247.357	4.861	0	10	BJAE	
CCCOc1ccc(NC[C@@H](CC)CCC)cc1	2259464567	RKOZTTUAZNFXQL-AWEZNQCLSA-N	249.398	4.714	0	10	BJAE	
C1CCC(CCCNC[C@@]23CCC[C@H]2CC3)CC1	2260534264	HAOOZWHGMKVMFI-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@]23CCCC[C@H]2CC3)C1	2260658389	OWDDFXPDDDKQNG-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@H]1CNc1cccc(C2CCCC2)c1	2260665679	XMIAMJIFHGDZAG-CJNGLKHVSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@]23CCCC[C@@H]2CC3)CC1	2260677399	FMDXOQAXUKBUTP-WCXIOVBPSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CC[C@H](O)c1cccc(C2CCCC2)c1	2260737642	KXUWSICUMJKBAY-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H]1CCNc2ccc(F)cc21	2261346309	CBZSMYQODATUPQ-VXGBXAGGSA-N	247.357	4.551	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)[C@H]1CCCC(C)(C)C1	2298948261	KTRUZKRQBIVMHQ-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1CCCCCC1)NC	2301147127	GSMSAHJERVNIRP-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC[C@@H](CC2CCCCCC2)[C@H](N)CC1	2301245221	UKHBYIBVXCRLBK-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H]1C[C@H](C(C)C)CCC1=O	2301834820	BBKOGKIAFPQIJL-XQLPTFJDSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CCC[C@@H]1C[C@H]1C	2302620981	WZXDKPBXVHQLOY-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CCNCC[C@@H]1CCC(C)(C)C1	2304369689	OANYRGNSUCAKBQ-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCC[C@]2(C)O)C1	2304397185	SHLNKAJXQMBVTQ-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CC[C@H]1CCC(C)(C)C1)CNC(C)C	2304428924	RMGXUIOBNUUJPY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1CCC2(CC1)CC2	2307906902	AEXHTMXOWUHQTM-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)CC[C@@H]1C[C@H]1C1CC1	2308414560	DDUNTUQYVBKBFT-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1CCC[C@@H]2C[C@H]12	2309964331	MOWBNQPTIKUHBR-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@@]12CCC[C@@H]1C2)C1(CCC)CC1	2310895033	OFCFCMHLEBEWGA-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2311717468	CEJMYTSLBSNEGK-DMRKSPOLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C(CC1CC1)CC1CC1	2313589897	HRWUGKLFQGTEEF-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC1CC1)c1ccccc1	2313605510	HENAWIJENNLKFK-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H]([C@@H](C)CC1CCC1)N2	2313644874	LOICYOFCEMSOJO-BBRMVZONSA-N	243.394	4.548	0	10	BJAE	
CCc1cc(C(=O)CCC2CC(C)C2)ccc1C	2314698583	AGVUDQGWXWINTI-UHFFFAOYSA-N	244.378	4.566	0	10	BJAE	
CCC(CC)CCN1c2ccccc2CC[C@@H]1C	2316263893	JIRNKLRBKHNNPW-AWEZNQCLSA-N	245.410	4.654	0	10	BJAE	
CC(=CCN1CCC(C)=C(C)C1)CCCC(C)C	2316517402	UACDZDIKXGQQDR-UHFFFAOYSA-N	249.442	4.801	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1CCC[C@@H]2C[C@H]12	2316536975	PLGRTNNVGWMLJC-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@@H](N)C1C[C@@H]2C[C@H]2C1)CCCC(C)C	2316562359	IVIAIVGWGJLMQH-YQQAZPJKSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316749590	LUMKTCXWJZLTDI-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
Fc1ccc2c(ccn2CC2CCCCCC2)c1	2316936634	FIJGYWGWINXEMH-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317157944	RLAYXZKAOVFZHZ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)C1(CC2CC2)CC1	2318592803	MPTDCFLRSRFGPE-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCCC2=CCCCC2)C1	2318594071	BHSRGWBGUXHGKV-RDJZCZTQSA-N	249.442	4.955	0	10	BJAE	
C[C@@]1(CC[C@H]2C[C@H]3CCC[C@H]2CC3)CCCCN1	2318822289	JRIIQQWLWHVRRK-QAETUUGQSA-N	249.442	4.515	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CCCC[C@@H]2C[C@@H]21	2319333828	GZHWDXISLYJKDD-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC[C@]1(CC[C@@H]2CC[C@H]2C2CC2)CCCCCN1	2319752482	YHFNUODZQPHAFY-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NC[C@H]2CC[C@@H]2C(C)(C)C)c1F	2320318720	BLFXGAILYSEZBO-OLZOCXBDSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@H](CC[C@H](N)CC2CCCC2)CC1	2320335792	CXMGNNFWVQNNJG-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CC2(N)CCC3(CC2)CC3)CC1	2320341946	YLRGLLIKILXVAR-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)CCCC2CCC2)CC1	2320399611	XTZWWOXWWCRZBR-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2CC23CCCC3)CC1	2320410202	BPRVZTIEAQCQHN-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](CC1CC1)C1CC1	2320698512	WFOJWTKSIAJMKH-KRWDZBQOSA-N	243.394	4.801	0	10	BJAE	
CN[C@H](CC[C@H]1CCC(C)(C)C1)[C@@H]1C=CCCC1	2321634916	WMRQWJQBSIJUKQ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](O)c2cc(C)ccc2C(C)C)CC1	2327678579	XCWUQIRGKPAGJH-MRXNPFEDSA-N	246.394	4.732	0	10	BJAE	
CCC(CC)Nc1ccc(C(C)(C)C)cc1	21036762	OABDMOOLOXBALD-UHFFFAOYSA-N	219.372	4.585	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1C)[C@H](C)CCC	35579525	FQIAHWCWQSVCFD-RHSMWYFYSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H](C)CN[C@H](C)c1ccc(C(C)(C)C)cc1	36921605	HBZYBHNKBKUBGN-ZIAGYGMSSA-N	247.426	4.681	0	10	BJAE	
Cc1cccc([C@H](C)Nc2cccc(F)c2C)c1	43320185	YFKAGGCXZKVDSC-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1ccccc1F	62773962	FDAFSPLJBDBHRV-LBPRGKRZSA-N	236.330	4.615	0	10	BJAE	
CC(C)c1ccc(COc2cccc(F)c2)cc1	70238308	DSXUQCXNROTMEU-UHFFFAOYSA-N	244.309	4.528	0	10	BJAE	
Cc1ccc([C@@H](O)CCC(C)C)c2ccccc12	79905846	OZBQXGOTONXQPR-KRWDZBQOSA-N	242.362	4.618	0	10	BJAE	
CC1(C)CCC(N[C@H]2CCC[C@@H](C3CC3)C2)CC1	81639801	OVSQAIWKCPZUNO-ZBFHGGJFSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)[C@H](C)n1c(C(C)C)c[nH]c1=S	82944978	RZVLTAISURCZGZ-JTQLQIEISA-N	240.416	4.666	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H](CC)C2CC2)cc1	86116852	QIXNNMDYOGZEHV-BLLLJJGKSA-N	231.383	4.801	0	10	BJAE	
CC(C)(C)CCC1(O)CCC(C(C)(C)C)CC1	87163975	NEJGJCNONSORQT-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCCNCC/C=C(/C)[C@H]1CCC[C@H](CC)C1	93675197	FCFDJCWQBPAEBD-IBBDDHLBSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cc(F)ccc2N)cc1	104025920	NBPXMRGRMGCKCA-NSHDSACASA-N	243.325	4.588	0	10	BJAE	
CC[C@@H](N[C@H](C)c1ccccc1)C1CCCCC1	109952682	YDZIIGWAMJVGMH-RHSMWYFYSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1cc(C)ccc1C	124640857	UBRYLKANEJTTEJ-RDJZCZTQSA-N	247.426	4.910	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H]1CC[C@@H](CC)C1	165896912	ZJFFJKRYJCYZGX-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(CO)(C2CCCC2)CC1	168469244	LGJCBTDYEMPNSA-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCCCC[C@@H]1CC(C)(C)CC[C@H]1CNCC	212292707	SGAZMHKIVMRWNA-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
Cc1ccccc1[C@@H](C)NCCCC1CCCC1	225000953	SKGYLAUQVAWEPJ-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCCCC1CCCC1	225059606	FXHNFMRWYOKRLI-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C[C@H](C)C(C)(C)C	229169408	MOQVYZQDHDYODN-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCN[C@H]1CCC12CCCCC2	230175110	URIUOVZBVFKKCM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](NC)c1c(C)cccc1C	232948936	NQBLWCJMMDRBPD-HNNXBMFYSA-N	233.399	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(Cl)cc12	235579646	GBJFMJJBTZUNMQ-ONGXEEELSA-N	233.742	4.725	0	10	BJAE	
Cc1ccc(N[C@@H]2[C@@H](C)CCC[C@H]2C)cc1C	251140559	CJPVQQSDINOHNU-VIKVFOODSA-N	231.383	4.540	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1C[C@@H](C)CC(C)(C)C1	251762334	HSZPMQGPKFPHNL-XGUBFFRZSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@](N)(CC)CCC1CCCCC1	300773785	QEJYTQFOZQGRMZ-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)c1ccsc1C	300908029	RMYUAZWNKXNCNM-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@@H](C)CC(C)C	301011637	YXEUOBSKLREPAI-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H](C)CC(C)C	301012623	ZAWDQTWHIRJIRI-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cc(C)c(F)cc1Cl	304355788	LOAXNKJXZHQYNX-SCZZXKLOSA-N	243.753	4.634	0	10	BJAE	
CCc1cc(N[C@H](C)c2ccsc2)ccc1C	306056357	VMHVKTNPNMLJPU-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H](CCC)CC(C)C	308113421	QWIBBMSTHPLSNM-ZIAGYGMSSA-N	226.404	4.844	0	10	BJAE	
C1CCC(CC[C@H]2CCC[C@@H]2CNC2CC2)CC1	310629997	IIVLQFPMLSUKBH-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(CCC(C)(C)C)CCC[C@@H]1C	317744974	OFRSYDKINSSPMS-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccc([C@H](N)C(C)(C)C2CCC2)cc1	322772229	JMEGKCBAIBUEHY-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)C1CCC1	322943617	MXCJVTJCPMKQAU-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@](C)(O)CC/C=C/c1ccccc1	323570997	AIGYXULUEPYZEA-VDZSZVPASA-N	246.394	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H](Cn2ccc3cc(F)ccc32)C1	380984202	ZLSWWLULFLXQOV-OLZOCXBDSA-N	245.341	4.607	0	10	BJAE	
CCCCCC[C@H](C)Nc1cc(C)c(C)cc1N	381007045	PJJMKTUJKDFBKP-AWEZNQCLSA-N	248.414	4.656	0	10	BJAE	
CCCNCC/C=C(/C)C[C@@H]1CCC[C@H](C)C1	383518644	MYQSXQHZYWMIPS-HFAZJSBRSA-N	237.431	4.539	0	10	BJAE	
C[C@H](C[C@@H](N)C(C)(C)C(C)(C)C)c1ccccc1	385129656	KYLBLSSDTGNXTH-UKRRQHHQSA-N	247.426	4.580	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@H]1C[C@@H]1CC	387751366	PXIGAVBKOCEOPX-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCCC12CCC2	394719362	AXPRVWBQKODLQI-CYBMUJFWSA-N	249.785	4.783	0	10	BJAE	
CNC/C(=C/[C@@H]1CCCC[C@@H]1C)C1CCCCC1	394786620	JSTCBDATMGWGSX-NPVOPIMNSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CNc1ccsc1Cl	394824472	JKGMPTAIYNICCI-VHSXEESVSA-N	243.803	4.640	0	10	BJAE	
CCC1(C[C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CCC1	395167704	PLPCPGYUURYAGD-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](O)(C[C@H](C)c1ccccc1)C(C)(C)C	395342085	CEGWINRIAYWWGK-WMLDXEAASA-N	248.410	4.758	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)CCC1CC1	395480812	CIUZRZNJMPVETC-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@@H]1CC1=CCCC1	400629542	KPEDWPRNYSQRRL-IAGOWNOFSA-N	249.442	4.683	0	10	BJAE	
FC(F)c1cscc1-c1ccc2c(c1)C=CC2	675054753	YLWOCAYYHFDJDI-UHFFFAOYSA-N	248.297	4.922	0	10	BJAE	
CC(C)C1(CN[C@H]2CCC23CCCCC3)CCC1	687272578	KXRIUTWJLPLFNJ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(NCCCC2CCC2)cc1	688382303	RFEIYBIIXQXSOO-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCc1ccc(CC)c(NCCCC(C)C)c1	689502041	AOLHBKHFAMOETE-UHFFFAOYSA-N	233.399	4.660	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCC12CCCC2	694405554	WDNZMFNDHVBGIY-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CC[C@H](N[C@@H](C)C(C)(C)CC)c1ccc(C)cc1	695101851	XKZPSOXUBYCASA-HOCLYGCPSA-N	247.426	4.860	0	10	BJAE	
CCC(C)(C)C[C@H](CCC1=CCCCC1)NC	696162989	GJQPGHRSCXZXGL-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC1CCC(C(=O)CC(C)(C)CC)CC1	697259091	NYHFXGDDJOYZEU-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCC[C@@H]1CCC[C@H]1CNC(C)(C)C	697774491	OWGLQHAFYBSOBZ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC[C@](C)(C(=O)CCC2CCC2)C1(C)C	699024067	MBYDTWDKGRCMLF-BLLLJJGKSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cccc(C)c1Cl	701089560	CKYSYKYDYPKNEE-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cccc(C(C)(C)C)c1	701216671	SCPVRGRTVVLIHM-OAHLLOKOSA-N	247.426	4.810	0	10	BJAE	
CCC[C@](N)(c1cc(C)c(C)cc1C)C(C)(C)C	704926289	GFRNJTRLTVQOSR-KRWDZBQOSA-N	247.426	4.612	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCCC[C@@H]1C1CC1	710136128	JQNZCUHBMCSYCI-NVXWUHKLSA-N	243.394	4.630	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@H](C[C@@H](C)C(C)(C)C)C1	710753703	NNRSPXLAVUQIHK-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)CC1(C)CCCC1	713046308	ZBFWZQGAOGCGLQ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@H]1CC[C@H](CC)CC1	713252853	WXMPSBDUYZJVRL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CCC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	713632199	HZZJXTXRFIXMAX-YOIVVXPQSA-N	234.383	4.540	0	10	BJAE	
C=C/C=C/CCc1ccc(F)c2ccccc12	713653556	BNLOTXOBNOVFCL-ONEGZZNKSA-N	226.294	4.654	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@H](C)CC(C)C	713684133	MRKSKJGUPJGUMP-AISUJJHZSA-N	237.431	4.559	0	10	BJAE	
C1CCCC(N[C@@H]2CC[C@@H]3CCCC[C@H]32)CCC1	714315034	KRJDUYSSSMLYKP-USXIJHARSA-N	249.442	4.658	0	10	BJAE	
CC/C=C/C[C@@H](C)c1ccc(OC)c(Cl)c1	714532600	QGPNIDZZAOZSIS-MVIFTORASA-N	238.758	4.808	0	10	BJAE	
C/C=C/C[C@@H](CC)c1ccc(OC)cc1Cl	714551333	BMNDQGIFBBTPGE-DUMNWFOQSA-N	238.758	4.808	0	10	BJAE	
CC(C)c1ccccc1NCCCC(C)(F)F	718374895	WYSGFHRQOUMIEA-UHFFFAOYSA-N	241.325	4.657	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCC=CCCC1	718974936	HGBUMHMGEIDDOP-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CCCCCC[C@H](NCCC)C1C2(CC2)C12CC2	720318613	BDISIPURNXTOPP-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C(C)(CC)CC	721690998	IACZZGVKOMPAQA-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC(C)(CC)[C@@H](CCC(C)=C(C)C)NC	721700360	XGANYRZUBRXOOO-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H](C2CCCC2)C2CC2)CC1	723961187	TZWZXZVXXVMMCZ-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H](C1CCCCC1)C1CC1	723982103	LHEZJCXRARTNQS-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
C/C(=C\Cl)CSCc1ccccc1CF	1166064147	ANOGZGWYPTWZMD-UXBLZVDNSA-N	244.762	4.532	0	10	BJAE	
CC(=O)c1cc(-c2ccccc2C(C)C)cs1	1244625690	CNJROPOQKBJUMS-UHFFFAOYSA-N	244.359	4.741	0	10	BJAE	
CC[C@H](C)S[C@@H]1CCCc2ccccc21	1307292261	FPESJUHBPDIHDV-SMDDNHRTSA-N	220.381	4.596	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCc1cccc(C(C)C)c1	1307923146	DWKIAZQJCNCZOS-CQSZACIVSA-N	247.426	4.724	0	10	BJAE	
CCc1nc(SCCC(C)(C)C)sc1C	1473054093	DNLUJQAHTUVUHI-UHFFFAOYSA-N	243.441	4.542	0	10	BJAE	
CCCC[C@@H](C)N(C)CCCCc1ccccc1	1658877679	OPBOEZZMXDIKCF-MRXNPFEDSA-N	247.426	4.520	0	10	BJAE	
CCC(CC)CC[C@@](O)(CC)C[C@@H](C)CC	1900700306	CIZQZGDPUMFBBE-ZFWWWQNUSA-N	228.420	4.780	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)CC1CCCC1	1900713975	SUFJLAYBJQHYBR-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@H]1CCC(C)(C)C1	1902280338	QFMHCNKQHZHJGK-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCc1cscc1N[C@@H](C)CC1CCCC1	1902382575	XBJFHXVLUKMTAD-NSHDSACASA-N	237.412	4.691	0	10	BJAE	
CCCCCC[C@@H](C[C@H](CC)CCC)NC	1905436056	WOZKGDKHZDQRAP-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](CCCCCC(C)C)NC	1909597824	LMOKFIBJEYECKK-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](N)(CC)c1ccccc1C1CCC1	1920138742	MPVHURFTVIAHKW-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)c1ccccc1C1CC1	1920199500	AENCCTYGHGGUBR-SUMWQHHRSA-N	245.410	4.564	0	10	BJAE	
C[C@H](C(=O)c1ccccc1C1CC1)C1CCCC1	1924135189	IRCXPWVGXHCHNZ-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
CC(C)CC[C@H](NC[C@@H]1C=CCCCC1)C1CC1	1925819979	NPENOHDROMJBOY-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCC(C)(C)C1	1938005151	DAOQTJPUPFBXHT-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C[C@H](N)c1cscc1C)C(C)(C)C	1938828636	YAIMCLVFFLTPTM-YPMHNXCESA-N	239.428	4.519	0	10	BJAE	
CC[C@H](CNC(C)(C)C)CC1(C)CCCCC1	1940406255	LIZSWXCTKTVQRK-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(CC(=O)CCC2(C)CC2)CC1	1940797348	KHPSASNMXKOWBD-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)CCCC1(C)CC1	1940880775	BYBIIGBNGBETOJ-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(=O)CC1CCC(C)CC1)C(C)C	1941263615	DBKAFDRRYZBCIX-NRXISQOPSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H](CCC)C(C)C	1941264585	SHKJXKVUTYGYPJ-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
C[Si](C)(C)CCNc1ccc2ccccc2c1	1941332210	XTSDBRFLQBHDNX-UHFFFAOYSA-N	243.426	4.590	0	10	BJAE	
CC(C)CCCCCNCC1(C)CC(C)(C)C1	1942075305	KDUBEUZXXGYJPP-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(CO)CCC=CCCC1	1942655592	JMDFNYKCSQBPDR-CVEARBPZSA-N	238.415	4.558	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@@]1(C)C=CCCC1	1943135370	JSSQMXUAIDWRNX-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CNC1(C)CCCCCC1)CC(C)(C)C	1945619005	ZZVGERHVOYPCBK-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C[C@@H]1C=CCCC1	1947587683	LUWGSBSLJVKPMI-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)CC1CCC=CCC1	1948334079	WQZJPSVLNOUHCQ-GDBMZVCRSA-N	238.415	4.556	0	10	BJAE	
CC1(CCC[C@]2(N)CCCCCC2(C)C)CC1	1949054384	LDVXBEXGDGBCEY-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@@H]1CCC(C)(C)[C@@H](NCCC)C1	1949654054	PWDUVIZZQSNJCS-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)c1nc(C(C)C)cs1	1960043580	FWHGNHGCRUSXII-LLVKDONJSA-N	225.401	4.950	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCCC23CCC3)CC1	1967703388	QKNGKZXEFFFBBN-PCKAHOCUSA-N	249.442	4.658	0	10	BJAE	
Cc1ccccc1NC1C[C@@H]2CCCCC[C@H]2C1	1968252779	UXLXEYPWLLFUQP-GJZGRUSLSA-N	243.394	4.766	0	10	BJAE	
CCc1ccc(NC[C@@H]2CCCC3(CC3)C2)cc1	1968313854	LKBDXHQXXSQEQQ-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
CC[C@H](Nc1cc(C(C)C)ccc1C)C(C)C	1968598539	ZIXZZPQDVBXHCT-HNNXBMFYSA-N	233.399	4.965	0	10	BJAE	
CC(C)Sc1ccccc1N[C@@H]1C[C@@H](C)[C@H]1C	1970342614	KTGPZKKVVJCMDU-YRGRVCCFSA-N	249.423	4.644	0	10	BJAE	
C[C@@H](CC1CCCC1)NC1CCC2(CCC2)CC1	1973043143	LLYFHBUKVYSOKL-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1973613039	MIOJQRSGFOCBSZ-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCCC1CC2(CCC2)C1	1973743463	KNDAFDAEKMKHTF-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@](N)(CC)C[C@H](C)CC)CC1	1990639998	IRAPFAQBYIUCRK-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)C12CCC(CC1)C2	1995986219	DCICNPFWNPOOKG-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CC[C@H](C)C1)NCCC	1996247194	GQQOEOGOUHOVHM-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@H](O)CC1CC(C(C)(C)C)C1	1998260604	NKSQGOFDVWIOCF-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
CCCCCCC(=O)c1ccc([C@@H]2C[C@H]2C)o1	2000190410	MYRGDHPNPBMSLD-VXGBXAGGSA-N	234.339	4.556	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccc(C)cc1C	2000211481	LXDYGOAEUORTMT-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CCC[C@@](C)(CC[C@H]1CC1(C)C)CNC(C)C	2000522704	ICPLJBHNINLTQJ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@H]1CC12CCCCC2	2001212853	CAMIEMWITHVPJU-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2001495660	YJCSZXBNQOMQOR-QLFBSQMISA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2CCC23CCC3)n1	2001867022	WTQQIWBHJVSNME-NSHDSACASA-N	249.423	4.878	0	10	BJAE	
CCCCCC[C@@](C)(O)C1CC(C(C)(C)C)C1	2002300528	URBPFZPXSJJREA-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCC)CCC1CC(C(C)C)C1	2002352439	WXJQYLKTCQZYLW-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC(=O)C[C@H](C(F)F)C(C)(C)C	2002434256	FRFGREQOQQVGEV-GFCCVEGCSA-N	248.357	4.699	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@]1(C)CCCC1(F)F	2002579799	OIZYOEFRZNGFNQ-YPMHNXCESA-N	246.341	4.597	0	10	BJAE	
CC(C)=CCC[C@](C)(N)[C@H]1CCCC(C)(C)C1	2002999832	XMGOPKDWSJKQBB-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
Cc1ccccc1C(=O)CCC1(C)CCCC1	2003651144	CUXWWUMYDVHDGU-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCC(C)(C)C1CCC(O)(CC=C(C)C)CC1	2004225390	CZSUWMFYAOJPSP-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](C)CC1(O)CCC(CC)(CC)CC1	2004340352	ZMSQYHVJPMPLBL-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@@H](CC(C)(C)CC)C1	2006631511	MBUWBOVXCSEECZ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCC[C@H]1C(C)C	2007623222	RZNJLGXHXDMODE-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)[C@H](C)CC(C)(C)C	2007935366	SZONOOVICWGDMW-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@H](CC(C)C)C(C)C	2009616389	IOPQTLYSUWXCKA-HZPDHXFCSA-N	239.447	4.639	0	10	BJAE	
CC=CCCC[C@H](NCC)C(C)(C)C(C)(C)C	2009618657	DSEIMDXFVOPKDG-AWEZNQCLSA-N	239.447	4.783	0	10	BJAE	
CC[C@@](CNC(C)(C)C)(CC1(C)CC1)C(C)C	2012415776	DYOSPDKWBHUFNK-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C)[C@@H](CC(C(C)C)C(C)C)C(C)C	2015413312	UKJFHSWCYDXRRF-HOCLYGCPSA-N	241.463	4.575	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCCC2(C)C)CCC1	2015639777	KHFGNMDXPLXFDA-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(CCC(=O)C(C)(C)CCF)C(C)C	2016762726	RGIZXDSFADPQMY-UHFFFAOYSA-N	244.394	4.650	0	10	BJAE	
CCC1(CN[C@]2(C)CCCC(C)(C)C2)CCC1	2017614787	AFJALUXHUKTAIX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C[C@H]1CC[C@H](C)CC1	2017711890	IUCMAGHZUAGPPU-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CSc1ccc(NC[C@H]2CC[C@H](C)CC2)cc1	2017725627	SVAKVNNOFHCNIZ-JOCQHMNTSA-N	249.423	4.647	0	10	BJAE	
CCC1([C@H](N)C[C@H]2CC[C@H](C)CC2)CCCC1	2017727805	DRZKMOLXJPJCFL-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C)C[C@H](C)C[C@H]1CC[C@H](CC)CC1	2017729956	BPQHWBCSUSWRJH-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C)[C@H](C)C[C@H]1CC[C@H](CC)CC1	2017730817	LFYKEILZIUSWNY-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CC(=O)CC(CC)CC)CC1	2017773047	VENLTCYJFIZBPV-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@@H]1CCC=CCCC1	2017793495	JZCULMIMBIVUFI-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@@](O)(CC)C1CC(C2CCC2)C1	2018130031	MHKHUIHKKLABJQ-GPANFISMSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC)NCC1(CCC)CCC1	2018131148	MVKJACCWOCHSHA-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(F)c(C)c1	2018138916	MGMLDZNPBDPUPD-CYBMUJFWSA-N	237.362	4.905	0	10	BJAE	
CCCCN(CCCC(C)C)c1ccccc1	2019301341	CHNIWSNMHPKIJL-UHFFFAOYSA-N	233.399	4.729	0	10	BJAE	
CC=C(CC)[C@@H](C[C@@H](CC)C(C)(C)C)NCC	2020970953	FIZWKIKJAVNAAK-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC3(CC3)C2)c1	2021789068	XUANEKGOFUFTPS-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H]1C[C@@H]1CCC	2026169883	LRQQAKNQLQXRSW-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](c1ccccc1F)N(C)C1CCCCCC1	2026912937	ZDDWUNVAPNOUDP-ZDUSSCGKSA-N	249.373	4.541	0	10	BJAE	
CN[C@H](C[C@H]1CC1(C)C)c1ccccc1C(C)C	2027517321	FZOYFOXXZZTUSY-XJKSGUPXSA-N	245.410	4.507	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)C=Cc1ccccc1	2028587995	JTNFQPHWQYIUOT-DLBZAZTESA-N	246.394	4.523	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)C1(C)CC(C)(C)C1	2029111952	MMGIYMNWQNHBBN-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H]1CCC[C@@H]1C	2032476509	SCPXUGIVNWCVPR-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNc1cccc(C2CCC2)c1	2032512438	AXPKFPMHCOWMSC-XJKSGUPXSA-N	243.394	4.802	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)C[C@@H]1CCCC[C@@H]31	2034148079	QSXUAKZVCUNTMF-QWHCGFSZSA-N	239.362	4.615	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1C[C@@H]2CCCC[C@@H]2C1=O	2034259208	BHABGPARKNPCTB-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc2[nH]c3c(c2c1)[C@H]1CCCCC[C@@H]1C3	2035860303	FANMWMSTMNVMAD-OLZOCXBDSA-N	239.362	4.696	0	10	BJAE	
CCCNC[C@]1(CC2CCCC2)CC12CCCC2	2036098169	RFCMVMQUBSYMGK-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)CC[C@@](C)(N)CCC=Cc1ccccc1	2037114987	GXENZXDPZPAHOQ-KRWDZBQOSA-N	245.410	4.634	0	10	BJAE	
CCC[C@](N)(CC[C@H]1C[C@H]1C1CC1)C1CCCC1	2037127675	CFHPBCOUXOQUAL-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@H]1CC[C@H](C)C1	2037590868	HQYNLBSJCAOQIR-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1[C@@H]1CCC2(CCCC2)C1	2037704171	QDSRYXFYGPOULR-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)(C[C@@H](N)[C@H]1CCC2(CCCC2)C1)C1CC1	2037706977	ZMJJRZMQLJKZIV-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1CCCC1)[C@@H]1CCC2(CCCC2)C1	2037752317	NVDGTSPKKBQNQK-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C=CCC1)CC1CCCC1	2038103222	LUGPQPGQHIBOOU-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)[C@H]1CC12CCCCC2	2039079850	VMXNGLUEZJXZHF-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C(=O)C[C@H]1CC[C@H](C)C1)c1ccccc1	2040138240	NAYHXGSTAIAYTL-DZKIICNBSA-N	244.378	4.576	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)CCCCC23CCCC3)C1	2040167131	VWEXPYFYFMOWLI-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@H](C)C1)C1CC=CC1	2042025952	ZQOVIOQALDGDTR-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(N[C@H]2C=CCCCCC2)CC1(C)C	2042337205	QJLDYSNWGBATLI-AWEZNQCLSA-N	249.442	4.680	0	10	BJAE	
CC(C)CCCCCN[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042341317	FNFZTTGYMXQSIG-BJWYYQGGSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)C1CC(C(C)(C)C)C1	2043002284	MZZRWXVVDMWTFP-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NC1CC2(CCCCC2)C1)C1CC(C)(C)C1	2043546042	YYSIQBXOWREKTR-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)C1CC2(CCC2)C1	2043547519	QUWXTCQKOMIGAR-LZWOXQAQSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@@H]1CCC[C@@H](C)C1	2045681467	ZIEOGQWMKRNSBY-DUFGSWQCSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1CN([C@@H]2CCCC(C)(C)C2)c2ccccc21	2046566251	RBZZMPCJCNQKKI-ZIAGYGMSSA-N	243.394	4.579	0	10	BJAE	
CCCCN(C[C@H]1CCC[C@@H]1C)c1ccccc1	2046579538	RJAOQJVPKCWZAA-JKSUJKDBSA-N	245.410	4.729	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@H]1CC12CCCC2	2047008187	MQRUNNIVPOEIJI-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC[C@@]2(C)CC=CCC2)C1	2047716348	SZECZGBMYHFSMO-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
C[C@H](C=C1CC[C@@H]2CCCN[C@@H]2C1)CC(C)(C)C	2048086839	PEOPJYLKTDYVDJ-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCC1	2048467813	WVSPVEZVMKWMQG-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@H]2CCC23CCC3)CC1	2049414196	FKURFIOZGFWGLP-LMPOIIKSSA-N	249.442	4.514	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1CCC2(CC2)C1	2049937287	CMROYZTWVSZPER-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@@]1(C)C=CCCC1	2050006399	MTSOVQBQTQTONV-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@H](N)CC[C@H](C)CC(C)(C)C)cc1	2050431157	PYDVEXIKTUUNFQ-HOCLYGCPSA-N	247.426	4.847	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)c1cccc(C)c1	2050458358	MDLZONOSEJFMEA-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H](NC1[C@H](C)CCC[C@H]1C)c1ccccc1	2053261424	MQNQDQJQTMGBLP-IIAWOOMASA-N	245.410	4.552	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)CC1CCC=CCC1	2053398951	ZORYVKNIFRPGHH-QGZVFWFLSA-N	249.442	4.668	0	10	BJAE	
O[C@]1(C=C2CCCCC2)CCC2(CCCCC2)C1	2056864129	XRNXWPYZXJQMQF-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC=C1CCCC1)CC1CCCC1	2056872702	GKGQJHASIGIVJS-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@@H](C)C2CC2)c1C	2057356208	BMVKKCRVPUZOLY-GFCCVEGCSA-N	244.378	4.539	0	10	BJAE	
CCC1(C)CC(N[C@@H]2C[C@H]3CCCCCC[C@H]32)C1	2058831867	QRIWYVPOTQOZOV-OWUKFGMTSA-N	249.442	4.514	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2059195127	DGZDCBAEUMHBJJ-ARFHVFGLSA-N	248.410	4.908	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1cccc(C)c1C	2059252398	HUJUWACQESZSFK-UABRLCRWSA-N	245.410	4.700	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@]12CCCC[C@@H]1CCC2	2059254647	AOJRXSZEDNGYSU-DZPCMMCASA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CCCCC1)C1=CCC(C)(C)CC1	2061087978	JRECLQOTGJKFGE-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C1=CCC(C)(C)CC1	2061146430	HHUZOFPTMAOZAF-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](NC1CC(=C2CCC2)C1)C1CCCCC1	2061256750	RYKLJPYETMIREH-KRWDZBQOSA-N	247.426	4.578	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC[C@]12CCC[C@@H]1C2	2061606427	LMOVBPAQPNNUCC-ABFRBSLYSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)CC[C@]12CCC[C@@H]1C2	2061639132	RAEWROBNRWEUMD-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063510562	PPQISGLKHFFJNL-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@H](C)CC1)c1occc1C	2063677241	GLZULFWAUKAYNT-QEJZJMRPSA-N	249.398	4.598	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C(C)=CCC[C@@H]2C)CCC1	2069278966	PRNZQNWOPYAERG-GOEBONIOSA-N	248.410	4.908	0	10	BJAE	
CC(C)=CCC[C@H](C)NCc1c(C)cccc1C	2070397712	IRDAPDPPEOWPIG-INIZCTEOSA-N	245.410	4.528	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H]1CC[C@H]1C1CCC1	2071788570	HPQDQQVATABWPP-IRXDYDNUSA-N	241.378	4.555	0	10	BJAE	
Cc1ccc([C@H](N)CCC2(C(C)C)CCC2)cc1	2071940051	GYFCVKLKELBRBT-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CC[C@H](C)CC2)c1F	2072875346	MXDXXNRGFLCYMQ-AULYBMBSSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1C[C@H](C)c2ccccc21	2073293182	CODBSHQDQZLHPG-ZQIUZPCESA-N	245.410	4.793	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@]23CCCC[C@H]2C3)C1	2074031147	XGANCKAABUBWJV-YYIAUSFCSA-N	249.442	4.502	0	10	BJAE	
CC(C)c1cccc(NC[C@@]23CCCC[C@H]2C3)c1	2074046639	LSDXPVWVRGTBAX-RDJZCZTQSA-N	243.394	4.802	0	10	BJAE	
CCCC1(C[C@](O)(CC)c2cccc(C)c2)CC1	2074620132	ZLGJAVQWPLHWGB-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
Cc1ccc(C)c(CN(C)[C@@H](C)CC(C)(C)C)c1	2074925842	SZBRTDCCMSZRHE-HNNXBMFYSA-N	247.426	4.560	0	10	BJAE	
CN(C[C@@H]1CCC=CCCC1)[C@@H]1CCCC1(C)C	2077364212	VXENVWJNTPWHMW-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CCCCC1CC(N[C@@H]2C[C@H]2C2CCCCC2)C1	2079531733	SGNRHSRRDLRDTL-MHVXSEJMSA-N	249.442	4.514	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2C[C@@H]2C2CCCC2)C=CCCC1	2079855350	YVHUBXNWHKPWFD-UXLLHSPISA-N	246.394	4.518	0	10	BJAE	
CCc1ccccc1[C@H](C)NCCC(CC)CC	2081216557	HJXLQCVKLKUXFS-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1=CCCCCCC1	2081783155	UTFWMBUOWWTDRJ-KRWDZBQOSA-N	249.442	4.992	0	10	BJAE	
CCC[C@H](CCCC(C)C)CN[C@H](C)CC	2212586930	DWODVEICPRFUHZ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](N)CCC1C[C@H]2CCC[C@H](C1)C2	2213297332	OKPCPDQLHWMLJX-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC1CC(C)([C@H](N)CCCCCCC2CC2)C1	2213582343	GZYYLMGLIOIQDR-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCCCC(F)F)CC1	2216454185	WPGQDNYDGFIFHU-JSGCOSHPSA-N	248.357	4.533	0	10	BJAE	
CCCCCCC1(CN[C@@H](C)CC)CCCC1	2217149225	HOLAQJBSJIRHSM-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@H]1C[C@H]2CCCC[C@]2(C)C1	2218018319	UMMNRVUUOQCRFH-WBTNSWJXSA-N	249.442	4.514	0	10	BJAE	
CCCCC1(NC[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218359058	ORQXIJGKYOVURE-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2220632304	YVOLDUKIDYGAEP-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@]1([C@H]2CCCC[C@@H]2C)CC=C(C)CC1	2221654481	OSKVMARAIIKCON-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCCCc1ccc([C@H](O)CC(C)(C)C)s1	2242604959	MLMXHQWGOZUWOB-GFCCVEGCSA-N	240.412	4.560	0	10	BJAE	
CCCC[C@](N)(CC)CCCC[C@H]1C[C@H]1C	2243044409	AAYRYTXWSKTYAS-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC1CC2(CCCC2)C1	2246820724	QCPXECGCBOKSSR-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)C1CC2(CC(C)C2)C1	2247065520	NWDRXRLPYXKSEA-LGGPCSOHSA-N	237.431	4.501	0	10	BJAE	
CCCCN(CCCC)CCCC[C@@H]1C[C@H]1C	2247160107	RKAJBUUWMIQRBA-HZPDHXFCSA-N	239.447	4.715	0	10	BJAE	
CCNCC(CC)(CC)CCCC[C@H]1C[C@H]1C	2247164933	KRTDBIJBYDXNBW-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1CCC12CCCCC2	2250377696	HDBAHQUPUPBVMY-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](NCCC)[C@@]12CCCC[C@H]1CC2	2251100655	QYQIJIWLEGSADL-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@]12CCC[C@@H]1CC2	2251211882	ODHOWKGCGTZFGN-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC1CC(C)(C[C@@]2(N)CCC3(CCCCC3)C2)C1	2253656981	WCUPPRWHZIXEIP-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](C[C@@H]1CCCCC12CC2)C1=CCCCCC1	2253780021	CSMQWHYXYBLTHN-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@H]1CCCCC12CC2	2253805183	LNQXNYNWQVWFLL-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@@H]1CCCCC12CC2	2253818473	OGILWKQPJJEOQM-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C1CCC1)[C@H](N)CC[C@@H]1CCCCC12CC2	2253866443	QYYIZXUSSJUMGB-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(NCC[C@@H]2CCCCC23CC3)CCC1	2253883145	GWYZHRZOGDKFHV-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@H]2C[C@H]2C)cc1C	2254596334	VGHGMFKYSDSSRK-HLLBOEOZSA-N	245.410	4.520	0	10	BJAE	
C[C@H](N(C)CC1=CCCCC1)C1(C)CCCCC1	2255055483	KSYOVMKZTHCXNO-HNNXBMFYSA-N	249.442	4.778	0	10	BJAE	
Cc1cccc2ccc(CC3=CCCCC3)nc12	2255115114	BCUSXDDGVYHUFB-UHFFFAOYSA-N	237.346	4.586	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CC[C@@H]1CCCC12CC2	2255229164	WBLJHZZADDSGOJ-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@H]1CCCC12CC2	2255330343	MNNGXVPUIKMPMA-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
C[C@H](NCCCC1CCCCC1)[C@H]1CC12CCC2	2256423301	CZBGTKKETGGUOX-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(CN)(CCC1CCCCC1)C2	2259488475	METRBFHNGYFOQA-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC1CC2(C1)CC(C[C@](C)(N)C1CCCCC1)C2	2259566728	QMUQEUVRWGVMFU-XRFBTWBJSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@]12CCC[C@@H]1CC2	2260659196	UTHDHTSQSPLDTR-BFYDXBDKSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H]2CCNc3ccc(F)cc32)C1	2261340100	UNISMUZBYWESJR-YRGRVCCFSA-N	247.357	4.551	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)CC[C@@H]1C[C@H]1C	2298497378	SIUJPAVEQXJVAG-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@H](C)CC1CC1	2298848973	DTLDFBXNBQWUBZ-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](Nc1cc(C2CC2)ccc1Cl)C1(C)CC1	2300695870	WXFCVOSBNTYRIT-SNVBAGLBSA-N	249.785	4.818	0	10	BJAE	
CC(=CCN1CCCC[C@H]1C)CCCC(C)C	2300884816	YATSUKIDAZAGLC-MRXNPFEDSA-N	237.431	4.633	0	10	BJAE	
CC1([C@@H](O)CC2CCCCCC2)CCCCC1	2301202162	SOCAGRKGWZJPIY-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
c1sc([C@H]2CCC23CCC3)nc1CC1CCC1	2302258404	MQQGULYLQUTFCI-CYBMUJFWSA-N	247.407	4.533	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)CCCC1=CCCCC1	2302356861	RSESAQBQLZQYOZ-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1CC[C@H]1C(C)(C)C	2303499738	TUWIODVSKXSZBV-RBSFLKMASA-N	237.431	4.536	0	10	BJAE	
CCCC[C@](C)(O)c1cc(C)ccc1C(C)C	2307512906	QSYCSOQGHWKAFM-INIZCTEOSA-N	234.383	4.516	0	10	BJAE	
CCCN[C@@H](CCC(F)F)C[C@H](CC)CCC	2307910812	ZYTPFGYIMDJJRL-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC1(CN[C@H]2CCC[C@@H]3C[C@H]23)CCCCCCC1	2309539574	BQTDNMUOPKAYDX-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@H]1CCC[C@@H]2C[C@@H]21	2309962635	ZNVWOYRNJSBBCY-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317199410	FQOLZUQYHZGCQS-BZUAXINKSA-N	248.410	4.764	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1CC[C@@H]2C[C@@H]2C1	2317934769	VQTFDIMPAOGYDB-XHSDSOJGSA-N	246.394	4.662	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)CCC1=CCCCC1	2317948152	KHKLJMKDYQSHFF-HOCLYGCPSA-N	248.410	4.908	0	10	BJAE	
CCCCCCc1ccc(CNCCC)c(C)c1	2318364318	LJFRFSCGGUANFT-UHFFFAOYSA-N	247.426	4.617	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)c1cocc1C	2318582192	AAFZTNQCYCCXNL-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)[C@@H]2CCCC23CCC3)C1	2319029420	IQBPOHFNMVGWDK-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](N)C[C@@H]2CCC(C)(C)C2)c(C)c1	2319326571	PEIPZVHDUMYSNJ-GOEBONIOSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CC[C@@H](C[C@](C)(F)c2ccc(N)cc2)C1	2319327589	XSIWHBMUJBVZAL-WBMJQRKESA-N	249.373	4.670	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@@]2(C)CC=CCC2)CC1	2320326654	GZPUSIZWQXDFAZ-ZACQAIPSSA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2cccc(F)c2C)CC1	2320419738	KKAVGTICBVCNNF-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
C=CC=CCCCCCCc1ccc(OC)cc1	2320825527	ANQWNHHEVRUQHC-UHFFFAOYSA-N	244.378	4.930	0	10	BJAE	
CCc1cc(F)cc(NCCC2CCCCC2)c1	2321079340	RJFKVGXGVJKRRP-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@]23CCCC[C@H]2C3)C1	2321634784	VFTUJTPXLYKIMB-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@H]3C[C@H]3C2)c1F	2327765639	SMSFHPXKIPCDSV-RWMBFGLXSA-N	247.357	4.550	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CC[C@@H](C)[C@@H](C)N2)c1	2327786370	IXRJRVFTYCVGIN-CPUCHLNUSA-N	245.410	4.568	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCc2cccc(C)c2N1	2328184067	SRCWUXMYOVBRDT-GOEBONIOSA-N	245.410	4.938	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)CCCc1ccccc1	2328281520	INTCVSZZXNBRCE-WBVHZDCISA-N	248.410	4.587	0	10	BJAE	
CCC[C@H](CC)C[C@@](CC)(CN)c1ccccc1	2328307776	URMQUNCWHZCLCP-RDJZCZTQSA-N	247.426	4.510	0	10	BJAE	
CC(C)c1ccc(Sc2ccccc2N)cc1	3652575	NKTPLFDQCKOYHT-UHFFFAOYSA-N	243.375	4.543	0	10	BJAE	
CC(C)CCC[C@H](C)NC1CCCCCCC1	21007687	UADPNTYNOUYBKM-HNNXBMFYSA-N	239.447	4.904	0	10	BJAE	
CC(C)CCCCCCNC[C@H]1CC=CCC1	21013040	FSYNUQIVNHQPMG-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CCC[C@H](C)C1NC1CCCCCCC1	21516509	CVBCSYZRBRFIBP-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCC(C)C)c1ccc(C(C)C)cc1	36820131	APCOSFZCAJPQBK-KRWDZBQOSA-N	247.426	4.897	0	10	BJAE	
CCCCc1ccc(N[C@H](CC)C(C)C)cc1	37232680	XJJXMGZCIPHBGR-MRXNPFEDSA-N	233.399	4.876	0	10	BJAE	
CCc1ccc(C(=O)CCC2CCCCC2)cc1	37358141	VWBJLTYUTXHCRO-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCCC[C@H](CC)NC(C)(C)CC(C)(C)C	68986582	AKMUZQAYDXDPNN-ZDUSSCGKSA-N	227.436	4.760	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(OCCC)cc1	69378846	ZXEOTWVSZMOZKN-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccc(C)cc2Cl)C1	70760420	CZPQTCNSVVFDSN-RYUDHWBXSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1sccc1C	82676524	XJAKSAONXXKZSQ-CHWSQXEVSA-N	240.412	4.696	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)C[C@@H](C)CC	83863984	UDVSQMRSKAUWOL-KKUMJFAQSA-N	227.436	4.760	0	10	BJAE	
C[C@@H]1CC(CCC(=O)c2ccccc2)C[C@@H](C)C1	84958262	PRIMCIJQFQYEEQ-KBPBESRZSA-N	244.378	4.722	0	10	BJAE	
CCCN[C@@H](C1CCC(CC)CC1)C(C)(C)C	85079946	WSHGBKAPZLMAED-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(OC2CCC(CC)CC2)c1	85150985	WSZOEOWWCFHTSL-UHFFFAOYSA-N	232.367	4.597	0	10	BJAE	
CCCCCC[C@@H](N)C1CCC(C(C)C)CC1	87964880	OMTSVHXJUFVWDN-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)C1CCCCC1	109726330	GUASZZKGNHEFDR-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C=Cc1ccccc1/C=C\c1ccccc1	115807969	SSXRRKVCVZJNDB-SEYXRHQNSA-N	206.288	4.500	0	10	BJAE	
CCC(CC)n1nc(C2CCCC2)cc1Cl	127549178	WWRVPPUCIYWRAK-UHFFFAOYSA-N	240.778	4.555	0	10	BJAE	
CCCN[C@H](CCC)CCCC(CC)CC	128633646	MZNXUDIXFYAEHY-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCCc1ccc2c(c1)[C@H](NCC)CC[C@H]2C	136912165	OUJYCNMUNSCHTR-CXAGYDPISA-N	245.410	4.577	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@H](O)CC[C@@H]2C	136938200	LAOSMSGNWFMBJV-BLLLJJGKSA-N	246.394	4.864	0	10	BJAE	
CCCC1CCC([C@@H](N)CC(CC)CC)CC1	148407167	SAWANFCNZYYPDW-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@H](C2CCCCCC2)C1	150031435	FSEXUIHIGOAPFO-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC(C)Cc1cccc(-c2cccc(Cl)n2)c1	166241409	UQMWHCHUOTZPIE-UHFFFAOYSA-N	245.753	4.601	0	10	BJAE	
Cc1cccc([C@@H](O)C2(CC(C)C)CCCC2)c1	166572381	XPTYMHVJVKIEFL-MRXNPFEDSA-N	246.394	4.635	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCCC[C@@H]1C(C)(C)C	167601684	GTEVRXXHBCUEJP-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)(CNC(C)C)C1CCCCCC1	168041981	VUDUOZKXJNFHKO-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1cc(C)ccc1C	212033848	UXUCZSFCLUSEDE-MRXNPFEDSA-N	234.383	4.553	0	10	BJAE	
Cc1cccc(C)c1CN[C@@H](C)CCCC(C)C	215369392	GJXFZJAVMCBPAT-INIZCTEOSA-N	247.426	4.608	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)CC1CCC1	225997402	MSWCIVWWXUYVAQ-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
CC(C)c1ccc(NC2CC(C(C)C)C2)cc1	232540667	UONGNVIZWZRQTE-UHFFFAOYSA-N	231.383	4.657	0	10	BJAE	
CCCCC[C@@H](NCCC)c1ccc(Cl)o1	232982856	FLGGQXWASALGDC-LLVKDONJSA-N	243.778	4.554	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C1=CCCCCCC1	233123966	DHNURXYSRSCKFE-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H](C)[C@H](CC1CCCCCC1)NCC	233344798	KUPQTHISUMSIKQ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CNc1cccc(-c2ccccc2C2CCC2)c1	234512173	FCTPUARCRTVTBL-UHFFFAOYSA-N	237.346	4.663	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@@H]1C1CCCCCC1	235349775	JWNQHEZRXVRCEV-DYVFJYSZSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)[C@H]1CCCC[C@H]1CC	250418395	LIKUGBCDHYUHSV-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
NCC1(C[C@@H]2C[C@H]3CC[C@H]2C3)CCCCCCC1	250808644	CYQBROILKSFJQV-JYJNAYRXSA-N	249.442	4.502	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@H](C)[C@H]1C	251376629	RCPYMEWUWPYWAG-XUWVNRHRSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@H]1CC[C@H](C)CC1	253138105	UYMAMLVIUBLHJP-SHTZXODSSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@H](C)CC1)c1ccc(C)cc1	253140632	WRQZGBZPICDBFZ-XIRDDKMYSA-N	245.410	4.614	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)C[C@H]1CCCC(C)(C)C	302275672	ICAXRPNKJUGFPO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)c1ccc(C(C)C)cc1	302427955	UXXBPOLILWRTBD-PBHICJAKSA-N	248.410	4.916	0	10	BJAE	
CC(C)C[C@@H](C)/C=C(/CNC(C)(C)C)C(C)C	302467634	ZCYHKRTUJAAACJ-MKRLJBPISA-N	239.447	4.639	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1cccc(CC)c1	308053659	JSCKZDOUHYZWST-HNNXBMFYSA-N	246.394	4.894	0	10	BJAE	
CCCCCC[C@H](NC)[C@H](CC)CC(C)C	308075977	VICOMJCRDAYUGV-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1ccsc1Cl	308364105	KZIXOMJHEDJXAZ-ONGXEEELSA-N	246.803	4.507	0	10	BJAE	
CC1CCC(CN)(CCC2CCCCC2)CC1	310072896	PABLOBUDOJPWQD-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H](C)C1)[C@@H](C)CC	310143385	NMLDBWDQJFNAIY-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(N[C@H](C)CCC(C)(C)C)CC1	310225215	NAOZWFWQBIQWIU-WLYUNCDWSA-N	239.447	4.760	0	10	BJAE	
CNc1cccc(-c2ccccc2C(C)C)c1	310399842	GIEMTPOHVSPFBA-UHFFFAOYSA-N	225.335	4.519	0	10	BJAE	
CC(C)c1ccc(C(=O)CC2(C)CCCC2)cc1	311078674	WGDIAZVLEYRYDC-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C	315217593	UBCVQKZSSJGMGV-UGUYLWEFSA-N	243.394	4.540	0	10	BJAE	
Cc1cc([C@H](C)Nc2ccc(C)c(C)c2)cs1	381332896	BXUVUMSJMHYNTG-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCCCCC(C)C)C1	383140748	FKUIVNOIBMXQMN-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC[C@H](C)CC1	383168320	KKZMYAQSNBBUDL-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CCCC1([C@H](CCCCCC(C)C)NC)CC1	383247025	JPDMPUBDHXARTI-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCCCCCC(C)C)C1CC1	383362912	HENHYDYBVBLNTM-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H]1CC[C@@H](C)C[C@@H]1CCCCCC(C)C	383414146	XWHDGCCDILTBPZ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@H]2CCNc3ccccc32)CCC1	383891320	LYVAPNZHKVCXLX-CYBMUJFWSA-N	229.367	4.556	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccc(Cl)cc1	384794151	ROEWNLJYASMOMF-JTQLQIEISA-N	225.763	4.577	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CCC[C@H](C)C2)c1F	385303053	VZYFUJMUCWICAI-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CC[C@H](Nc1ccccc1Cl)C1CCCC1	387683060	SPNQRJDYANPSBH-ZDUSSCGKSA-N	237.774	4.721	0	10	BJAE	
Clc1ccc(-c2ccc3ccoc3c2)cc1	390477153	JPRMMLPHDAUTFY-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@H]1CC[C@H](CC)CC1	392971605	VGJKQQMQMHRBQG-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ncc(C2CCCCCC2)s1	394567599	JRBQYXUZMUZROS-UHFFFAOYSA-N	223.385	4.704	0	10	BJAE	
CCC1CCC(CN[C@@H]2CCCC23CCC3)CC1	394820964	PLRFLUSNJGIHBN-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(C)c2scc(C(F)(F)F)c12	396300320	HXXBTYXWUWCBCR-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)CCC2CC2)CC1	398102149	IIFLFAAJTYCKCQ-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc2ccccc2c1C(=O)CC1(C)CC1	401407251	YPMHRBOSJBAHRR-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@@H]1C[C@@H]1CC=CCC1	402382532	ZTXZLWMHQRIHOZ-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC1CC(Nc2cccc(-c3ccccc3)c2)C1	689640957	ZECULOPXIZZLMG-UHFFFAOYSA-N	237.346	4.564	0	10	BJAE	
C1=C(CNc2cccc(-c3ccccc3)c2)CCC1	689694335	KLEDPGCXEYHHSV-UHFFFAOYSA-N	249.357	4.876	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1cccc(C2CC2)c1	690075700	KNTQJONZIPPOPL-DYVFJYSZSA-N	243.394	4.945	0	10	BJAE	
CC[C@@H](NCCCC1CCCCC1)c1ccco1	694060276	UXIVWSUOFXOQSM-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)c1ccc(C)c(C)c1	695096945	FFFLKNSMUHQBQK-CABCVRRESA-N	247.426	4.779	0	10	BJAE	
CC(C)CCCCCN[C@H]1CCCC2(CC2)C1	695769566	GFGWGKWUHMHNCL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CCCC1(C)C	697754936	GBOZLBIHNHVNLL-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCNc1ccc(C(C)C)cc1	697772318	YLKUBRLDTQJUJL-UHFFFAOYSA-N	217.356	4.578	0	10	BJAE	
Cc1c(Cl)cccc1OCCC1CCCC1	702647979	FGYPWNFOMVWEOJ-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H](C1CCC1)C1CC1	705301331	DXIAAHJXXQEALL-OAHLLOKOSA-N	249.785	4.639	0	10	BJAE	
CC(C)CCC[C@H](C)NC[C@@H](C)CC(C)(C)C	709148579	UITBDJUVTUVYQB-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H](C)C(C)(C)C)NCC	711156496	HHMNPWABODNBGD-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1C[C@H]2CCCC[C@@H]21	712424207	ZCORMPNMEJBPBU-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CC(C)(C)C(C)C	713127419	HOCGOUVTANWKLA-GJZGRUSLSA-N	242.447	4.882	0	10	BJAE	
C=C/C=C\CC[C@]1(CNC(C)C)CCC[C@H](C)C1	713717172	JDLPFXXQRXCNTH-YHLLGKTKSA-N	249.442	4.703	0	10	BJAE	
CCSc1cccc(NC[C@]2(C)CC2(C)C)c1	717147245	PHLWABJHURALTQ-HNNXBMFYSA-N	249.423	4.647	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@H]1NC1CCC2(CC1)CC2	717484569	CMPQVZLTSAJUBM-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C(C(C)C)C(C)C	718490541	BYIVNICUYSVSOQ-HNNXBMFYSA-N	239.447	4.639	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H]1C[C@H]1CC	718647117	RLYYVQCGXBFNAO-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CC/C=C(/C)[C@@H]1CC(C)(C)CO[C@@H]1C	1565517697	SJQNVWHNHXDMMZ-XZVYODRBSA-N	236.399	4.740	0	10	BJAE	
Cc1cc(CNc2ccccc2C)ccc1Cl	1655317413	PFAGPXUQQYDOPA-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)CC1CCCC1	1659830912	JPDDHTNZCCBZBA-LSDHHAIUSA-N	237.431	4.680	0	10	BJAE	
CC=CCCCN(Cc1ccccc1)C(C)(C)C	1880242549	HDFJDEPBJDAORN-UHFFFAOYSA-N	245.410	4.643	0	10	BJAE	
CC(C)=CCc1ccc(Cl)cc1C(F)(F)F	1902507415	CNGXUJMXVUUQRJ-UHFFFAOYSA-N	248.675	4.868	0	10	BJAE	
CC=C[C@H](C)Cc1ccc(CCCC)cc1	1911991305	BSOWFZVFACSGGL-AWEZNQCLSA-N	216.368	4.784	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1Cc1ccccc1	1913387256	XFAQECNLAXAXTI-MRXNPFEDSA-N	244.378	4.549	0	10	BJAE	
CCCc1ccc([C@](C)(O)[C@@H](C)[C@@H](C)CC)cc1	1920026704	VAXYZHWKIYDQOY-GRDNDAEWSA-N	248.410	4.529	0	10	BJAE	
CCC1CC(CNC(C)C)(CC(C)(C)CC)C1	1921188693	WQFYMWHMHWRFPW-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@H](C)C1CCCC1	1924114559	AIKIUABJGWCHOL-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCCC1)C1CC(C)C1	1925922656	TWSLFVXBLKUZPH-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@@H](O)CCCCCC1CC1	1926391995	ATEYPCWUMJPIOS-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC1CCC(C(=O)CC[C@H]2CC2(C)C)CC1	1940852678	HUWMNXQAQHPVRM-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C(=O)c1ccc2sccc2c1)C(C)C	1941262682	ICYCJLPWMOCOIO-CYBMUJFWSA-N	246.375	4.766	0	10	BJAE	
CCC(CC)C[C@H](N)[C@]12CCCC[C@H]1CCC2	1944156354	OVWBBSZHIYYGRQ-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C(C)(C)C(C)C	1944669275	XVVQDJBNQPXZAW-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CCC(C)(C)C1	1945602058	ZJQKLMPCGIZDJY-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCCCC[C@H]1C	1947466028	XCFHCSPVRGEWQC-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@H](C)CC(C)C)cc1C	1948323140	KFKINHRBRAGLKK-CABCVRRESA-N	233.399	4.786	0	10	BJAE	
CCCCC(=O)CCC(C)(C)c1ccccc1	1948436728	YJOAJBBVGCNYTQ-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
C[C@@H](CC(=O)CC1CC2(CC2)C1)CC(C)(C)C	1948674362	FLLZBZIBQUDMMM-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C1=CCCCCCC1	1948950663	IYTRGVQDUVLOTL-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)(C)CC[C@@H](N)[C@@H]1CCC2(CCCC2)C1	1949450807	FSFKNMVBPLTRHC-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](CO)(CC2(C)CCCC2)CC1	1950907700	GXQQOMQWARCTMO-GDBMZVCRSA-N	238.415	4.536	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(OCC)c(OC)c1	1951309330	XJUDVBDROHRGBJ-ZDUSSCGKSA-N	248.366	4.554	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1C[C@H](C)CC(C)(C)C1	1964577429	OVDUEBGZTVEAEN-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCCC[C@H]1CN[C@@H]1CCCC12CCC2	1966249403	JHLBQUZADFRUCV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC2CC(C(C)(C)C)C2)cc1C	1968254040	AFSSNECQQVCVEI-UHFFFAOYSA-N	231.383	4.540	0	10	BJAE	
CCc1ccccc1NCC1C[C@@H](C)C[C@H](C)C1	1968360149	MNHXBWQGDMCNCA-KBPBESRZSA-N	245.410	4.733	0	10	BJAE	
CCCC[C@@H](CC)NC1CC(C)(C)C(C)(C)C1	1970831549	YKLITPGYCYSAAW-CYBMUJFWSA-N	239.447	4.760	0	10	BJAE	
CCCCC1CC(NC2C[C@H]3CCC[C@H](C2)C3)C1	1971821453	RSMOBGMRIFSCQY-JPQBHMHHSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)c1nc(-c2ccccc2)cs1	1978653545	KRLDVKAMOXLNLH-LLVKDONJSA-N	231.364	4.714	0	10	BJAE	
CCC1(C)CC(Nc2c(C)cccc2Cl)C1	1984403511	NUNRRGCAQVBIIP-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
C/C=C/CCCC(CC)(CC)CNCCC	1984639454	JBNFTCLGLRELQJ-WEVVVXLNSA-N	225.420	4.539	0	10	BJAE	
CC(F)(F)C(C)(C)CCC1CC(=C2CC2)C1	1985533608	XXJLKSRVOYGRAB-UHFFFAOYSA-N	228.326	4.948	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CCC=C(C)C	1990124978	GDUWSAVRMHQORB-OAHLLOKOSA-N	225.420	4.633	0	10	BJAE	
CCCCC[C@H](NC)[C@H]1CCC[C@@H](CC)CC1	1997113480	BHWDKPDEHZOMJL-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H]1CC=CCC1	1997546396	LPJJYDTVHDOXHH-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@@H]1CCCC(C)(C)C1	2000143865	REDJYOCJPSSVBS-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)C(CC)(CC)CC	2001153502	KDPYTTALZYEFNE-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC1CC(C(C)C)C1)NCCC	2002305509	NSWWVRBAYRPRCE-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@@H]1CCCC(C)(C)C1	2002994050	QHXCTDJQROIPKN-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H]1CCCC2(CC2)C1	2003217755	MEDOWMUCECYJAP-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@@H]1CCCC2(CC2)C1	2003277170	HEVBPGXYRLDBRN-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@]1(CNCC(C)C)CCCCC1(C)C	2005586640	PGDOKUFRXRNTGD-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1CCCCC12CC2	2005591929	LZGVVFXUWIRFGT-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@H]1CCCC[C@H]1F	2006739861	CJDAWLYLPACNGO-HZSPNIEDSA-N	242.378	4.546	0	10	BJAE	
CC(C)(C)CCC(=O)C1(C)CCC(C)(C)CC1	2007683655	SOKOZSKADLGDSS-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CN[C@H]1CCC(C)(C)CC[C@@H]1CCCC(C)C	2009406826	JIRYPBVRHOJJHI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H]([C@@H]2CCCC(C)(C)C2)CC1	2009412137	VSMKRNOYQLJIGM-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](N)[C@H](C[C@@H](C)CC(C)(C)C)CC1	2009419016	HFQBFGBNLVGZFZ-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CCC[C@H](CC(C)C)C1	2009593237	MSZHUBFNLRMQJC-FZZYSBJUSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@]1(CO)CCCC(C)(C)CC1	2009595160	VTGCZZNSPVJNLE-APHBUQMISA-N	238.415	4.702	0	10	BJAE	
CC1(CC[C@@H]2CCCCCCCCC2=O)CC1	2009606487	TWSPSAAULLMNQR-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	2009621002	ZYLNMXNLSSYCJT-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
CCCC1CC(N[C@@H]2CCC[C@@H](CC)CC2)C1	2009714134	LSXPQYIBFSHBRZ-YHNBSYBMSA-N	237.431	4.514	0	10	BJAE	
CC[C@@](O)(C1=CC[C@H](C(C)C)CC1)C(C)(C)C	2010714584	IOTMQZFMNVCJCX-XJKSGUPXSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCCCC[C@H]1CC(=O)CC(C)(C)C1	2012083249	WZVFXAIBTXKESZ-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)C1(C)CCCC1	2014328782	KWHKIGNZQAWMOT-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)C1CCCCC1	2015270729	LFSZZWYNPSDGJE-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@@H]1C)CCC(C)(C)C	2017239287	SOEFHHUCSKORJW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(N(C)CC(F)=C(C)C)CC1	2017470371	LKOJOSAJYUICKB-UHFFFAOYSA-N	241.394	4.541	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@H](O)C(C)(C)C)CC1	2017712952	UOACNRHLXBWMAK-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](CNC(C)(C)C(C)(C)C)CC1	2017719287	AOVOZDNSFLAYRU-HDJSIYSDSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H]2CCC(C)(C)CC[C@@H]2O)CC1	2018974858	HYBXXTLWKWVOKU-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](N)C2(C)CCCCCC2)CC1	2018998781	WJWUEKQRULLBDM-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@H](CC(CC)CC)NCC)CC1	2019000496	QUUGEKOLPFCRQY-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(N2CCCCCC[C@@H]2C)CC1	2019168454	DYUWMSZYBQFAOI-FHERZECASA-N	237.431	4.610	0	10	BJAE	
CCCCCCN1CC[C@]12CCCC(C)(C)C2	2019292515	YMOFRKOETGFTMM-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
CC(C)=C(C)CCNc1ccccc1C1CC1	2021026142	LUVKKUCWLMHBGU-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)CC1CCCCCC1	2022556838	JDCNSEVQQUISTO-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@H]1CC[C@H](C)CC1	2023336636	QTBHCVNXFREDMU-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC(F)(F)CCCCC(=O)C(C)(C)C1CCC1	2023353249	LGTWNXAWKUJCTD-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC1CCC(N)(C[C@@H]2CCCC(C)(C)C2)CC1	2024097085	WQYTVRMCPNAVHT-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1C[C@H]1C1CC1	2026079935	OZPCSKIGARMEDC-NOLJZWGESA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CC[C@H]2CC[C@H]21	2027991919	QCXLTMYLGACZRM-UMVBOHGHSA-N	243.394	4.585	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NCC)c1ccccc1C	2028250811	AQQASUSLVPNABA-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1cccc(C2CC2)c1	2028553401	YZAYHHDTVIPNBE-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CCCC(O)(CCC)c1cccc(C2(C)CC2)c1	2028560592	RLPUJZFEMYHEJN-UHFFFAOYSA-N	246.394	4.526	0	10	BJAE	
C(CCC1CC1)CCN1CCC[C@@H]2CCCC[C@H]21	2028638162	XOKMNDRZOAELCM-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
CCCc1ccccc1[C@H](N)[C@@H](C)CCC(C)C	2029823186	GUSPUNDDRQFRSU-WMLDXEAASA-N	247.426	4.711	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1coc2ccccc12	2029836095	JDZQEHWWDAITBX-WBMJQRKESA-N	246.350	4.539	0	10	BJAE	
CC1(CN[C@]23CCCC[C@H]2CCC3)CCCCC1	2031806318	XADXEXYKXUHCTE-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@@H]2C=CCCC2)cc1	2035586627	BUBFDJNHCSWRIO-RHSMWYFYSA-N	243.394	4.556	0	10	BJAE	
C1CCCCC(NC[C@H]2CC23CCC3)CCCC1	2035886003	NNLTUYJFOPLALA-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC=CCC1)C1CC(C)(CC)C1	2036475960	OYXYTJPFLBCQMV-GYXIZQIFSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)C1CC(C)(CC)C1	2036487480	SJVUKJIXHRZDJF-KZYLPZIUSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@@H]1CCCCN1)[C@H]1CCC2(CCCC2)C1	2037695381	RQAUHMUFTFIEPH-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C1CC1)c1ccccc1	2038133703	KIUNHCJUSBYPCO-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@@H]1CCC2(CC2)C1	2038566676	DYRWQUBECSJCBB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)CC23CCCCC3)CC1	2039008417	HIBNFFZQSTZWJA-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2CC23CCCC3)cc1	2039090445	BXKWRGPTRSIITR-HNNXBMFYSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1	2039382938	DWFVBUQGFGKKKS-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2CC3CCC2CC3)CC=CCC1	2042090986	HJLZHFOBQYOIOL-NDTCATRNSA-N	246.394	4.518	0	10	BJAE	
CN[C@@H](C[C@H]1CCC=CCCC1)C1(C)CCCC1	2045320939	QVENGMHKVDDESY-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
O=C(CCCCCC1CC1)C1[C@H]2CCCCC[C@H]12	2048368546	AMFMBVDHSLZSAP-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCC3(CC3)C2)C1	2049962597	JACKVSVWQJJDKU-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1CCCCC12CC2	2053419041	QYKBMEDZHJFGBV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@@H]2CCC=CCCC2)C1	2054979084	AWNIYADJDWJMAG-BRWVUGGUSA-N	247.426	4.587	0	10	BJAE	
CC[C@H]1C[C@H](NC)C[C@H](CCC2=CCCCC2)C1	2055038857	LAGVRZICXCFBAC-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CCCC=C2C)CC1	2055672280	RCLUBVXKCYNOOV-IXDOHACOSA-N	249.442	4.824	0	10	BJAE	
CC=CCCC[C@H](NCC)C1(C2CC2)CCCC1	2059221289	LMFMLUUJKDRABH-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1ccc(CC(C)C)cc1	2059224384	ZWBZGKKYHMUTFT-LAQIPUCWSA-N	246.394	4.665	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H](C)c1ccccc1	2059251656	AGYHMRLQSNIDAU-UXILZDJPSA-N	245.410	4.515	0	10	BJAE	
CCCCC1CC(Nc2cnccc2C(C)C)C1	2059393551	HNNGPXYJESSWOD-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@](C)(N)C2CCCC2)CC1	2061120287	WKCZRARIUKCJFX-CXAGYDPISA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1C1=CC[C@@H](C(C)C)CC1	2061151510	SPYRNYGSXJTXLE-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CN[C@H]2CCCCCC23CC3)C1	2062009001	KCBLHPYBNLIRAH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CC23CCC(CC2)CC3)C1	2065326612	DZFMQRQLRCCIFS-VXLLPVPCSA-N	249.442	4.502	0	10	BJAE	
CCc1ccc(N)cc1-c1ccc(C(C)C)cc1	2065422885	OOKVKMBAVHRFJN-UHFFFAOYSA-N	239.362	4.622	0	10	BJAE	
O=C(CCCCCC1CC1)C1(CC2CCC2)CC1	2069571855	YEIFLVMADDODML-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@@H](C)C2CC=CC2)C1	2070819885	JJFGHWWMHJSWSR-YQQAZPJKSA-N	249.442	4.536	0	10	BJAE	
CCN[C@H](C[C@@]12CCC[C@H]1C2)C1(CC)CCCC1	2070862052	PQUDNXBLMULHMO-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNC1CCC2(CCCC2)CC1	2071467710	XSIPYFLYFRIGOE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1(C(C)(C)C)CCC1)c1ccco1	2071941858	XZKFMUGEQZOGGO-CYBMUJFWSA-N	249.398	4.537	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C[C@H]2CC[C@H](C)CC2)c1	2072803497	ISIVPUALCBVDRU-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
CCC1CCC(C[C@](C)(N)C2CC3(CC3)C2)CC1	2072804350	RBHMOTIXKQCVQK-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(N2C[C@@H](C)c3ccccc32)CC1	2074862418	LDEHJUCRDIVDER-WLYUNCDWSA-N	243.394	4.579	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N(C)CCC1=CCCCC1	2075149077	USFGBRZVCRKCHM-WBVHZDCISA-N	249.442	4.778	0	10	BJAE	
CCC1(CC)CCC(N(C)CC2=CCCC2)CC1	2075185859	LVTAJUAFCJABGE-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CCCCc1ccc([C@H](N)CCCC(C)C)cc1	2078001163	KKIZZXBYAQWNFS-QGZVFWFLSA-N	247.426	4.855	0	10	BJAE	
C1CCCC([C@H]2C[C@H]2NCCCCC2CC2)CC1	2079533249	YJXCZIVNNWCIDK-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@@H]2C[C@@H]2C2CCCC2)cc1C	2079642244	SMKJMLULJIMHDI-DOTOQJQBSA-N	243.394	4.542	0	10	BJAE	
CC1CCC(C(=O)C[C@H]2C[C@@H]2C2CCCC2)CC1	2079865615	PCLSZTUSCHVHAB-AHNOJICISA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](CC2(CNC3CC3)CCC2)C1	2082975172	GGIWQWTUEOOGQV-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC1C2(CCC2)C12CCC2	2083569155	LLGPPRXLVJVPSV-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@@H](CCCCCCC2CC2)NC)CC1	2213572563	XQQJPAUCXXAEIB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CCCCCCC1CC1)C[C@@H]1CCCN1	2213573301	GFPNNMCSLDVBDH-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)NC1CCC(C2CC2)CC1	2213705248	DUEPMZPAEQKVGN-PCKAHOCUSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1CC)CC(CC)CC	2215244426	GXIUVMPVKOSOJP-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](CCCCCCCC2CC2)CCN1	2216901987	XOPJEAIMJPHJTK-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@](C)(CN[C@@H](C)CC)C(C)C	2217135490	FZZPRNIPVHVKPQ-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	2218019253	UMMNRVUUOQCRFH-LJIGWXMPSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCCCCCC1CC1)c1ccoc1	2218718750	QVCBDAWJSHWCHU-INIZCTEOSA-N	249.398	4.681	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CCC[C@@H]2CC[C@@H]21	2218720470	JEQBTXXYTSOFME-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC=Cc1ccccc1)[C@H](C)CC	2219071012	MAAUBQRUVGKFOJ-WBVHZDCISA-N	245.410	4.504	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC1(N)C[C@H]2CCCCC[C@@H]2C1	2220872361	CIWURBKPJIVZMW-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CN(C)[C@H]2CCC[C@@H](C)C2)CC1	2221603723	VVAAHUPPVVOKHW-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CC1=CC[C@](CN)(CC2C[C@H](C)C[C@@H](C)C2)CC1	2221662669	IFAGARVXLLULDP-BFYDXBDKSA-N	249.442	4.524	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222971085	GHXLPMFHWHDQFN-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CCCCCCCC1CC1	2223130431	MSNQPOPBDINFSS-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CC[C@H](CNC2CCC2)C2CC2)CC1	2223538660	DMGUYSVUISRLQC-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H]1CCC1(C)C	2247382065	UODGZHZGDRPEJG-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(-c2cc(C)c(Cl)cc2C)c(O)c1	2249084844	RQWDWNRSYQCGCU-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H]1CC[C@@H](C)C1)NCC	2250355626	MAEGEXKAHFIWEW-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@H](CC)CCC	2250359827	FPMFEHQLQPYTBB-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H]([C@H](CC)CCC)[C@@H]1CC[C@H](C)C1	2250360835	YYCPPBDFZAKOGQ-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@H](CC)CCC	2250369186	UZBQMAAFTFCPAR-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC=CCCC[C@H](N)C1CC(CC(C)(C)C)C1	2251537994	YMVDHXOJNURTOV-NRXISQOPSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCCCC12CC2)C1CCC1	2253833963	UXKUFZWYEKDECI-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@@H]1CCCC2(CCC2)C1	2254513637	SPKARZUXZOCCRZ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2ccn(CCCC[C@H]3C[C@H]3C)c2c1	2254539817	QRFROLGURDCPPG-ZBFHGGJFSA-N	241.378	4.776	0	10	BJAE	
Cc1ccc([C@H](O)CCCCC[C@@H]2C[C@@H]2C)cc1	2254544578	QCRNGFSIHUPPSH-USXIJHARSA-N	246.394	4.635	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@]1(N)C[C@@H]2CCCC[C@@H]2C1	2254605736	NNCUNCBFASRZLQ-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CC2=CCCCC2)[C@@H]1C	2255097188	QAQJFZGLGJSBOR-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc([C@H](O)CCCCC2CC2)cc1	2256311420	PWYRCNFGXSVMFH-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@H]1C[C@@H]2CC[C@@H]2C1	2257249608	WTIFNYFQLFMIMV-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@@H]1C[C@@H]1C1CC1	2257281172	HJYUXNUQVHWGAC-DUFGSWQCSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(CCNC[C@]23CCC[C@@H]2CC3)CC1	2260632261	BZGMDOQRMITRSR-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](C)CCCC(C)C)[C@@H]1C	2298841652	JKIOLJJYNAHWAD-FPCVCCKLSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H](C)CC1CCC1	2298880106	ZJWNTQQXFMSAJC-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
CCC(C)=CC[C@@H](O)C(C)(C)C1CCCCC1	2300903816	ITODGXXMNQKNOM-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
C[C@](O)(CC1CCCCCC1)C1CCCCC1	2301137249	GUVMFJPKNOTVMF-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2CCCCCC2)C1	2301142935	OGTCYLPJZMKFQG-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CCC(C)(C)C	2301585594	KXDJLZKDYRRFLJ-UHFFFAOYSA-N	233.330	4.525	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](C)N[C@H](C)[C@@H](C)C(C)C	2301688570	LBLAUBDTRQGBPK-RRFJBIMHSA-N	241.463	4.573	0	10	BJAE	
CC(C)c1ccccc1O[C@@H](C)[C@H](C)C(C)C	2301840019	LGFMFYCFZTUJSV-KGLIPLIRSA-N	234.383	4.869	0	10	BJAE	
CC=CCCC[C@H](CCC1=CCCCC1)NC	2301899958	OHZKGNXBYJZELL-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCC[C@@H]2C[C@@H]21	2302830017	HHYPPIBRRJXWCD-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1NC1CCCCCCC1	2303396207	CVJZOACQZWNQOA-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H](C)c2csc(C)c2)CC1	2303455268	CSUPCMQASQNENR-DZGCQCFKSA-N	249.423	4.596	0	10	BJAE	
CCNC[C@](C)(CC)C[C@H]1CCC(C)=C(C)C1	2303522582	LWMCAFKPCDUPAM-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H](CC1CC1)C1CC1	2303845184	LXLUDVVOSIAZCB-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](CC[C@H]1CCC(C)(C)C1)NC	2304409300	HTDXTLSWZLBJSH-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCN(CC[C@@H]1CCC(C)(C)C1)[C@@H](C)C(C)C	2304414805	CHMKUZFINWXMRE-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CCC[C@H]1CCC(C)(C)C1)NC	2304415834	NGKNHOBUDPMJNS-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC(=O)CC[C@H]1CCC(C)(C)C1	2304431014	GPASMMPPHQTKAP-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@H](N)CC[C@H]1CCC(C)(C)C1	2304438051	TZSVCIBKIJEATN-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(N)CCC2(CCCC2)C1	2307828219	GZAFVJVCJVEEQB-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CC[C@@H]1C(C)(C)C	2307902356	KSOMACJWWYEJMQ-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309183990	XJBDSBHNNQSSIF-LUKYLMHMSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@](N)(C[C@@H]2C[C@H]2C2CCCCCC2)C1	2311569685	RYPRPCIMHSTCSS-QSPRXWTASA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)[C@@H]1C[C@H]1C1CCCCC1	2312466709	SPFILKBHFLVYHM-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)C1(N)CC2(CCCCCC2)C1	2313612082	KIFHXWXQJGRZEZ-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC(=CCNC1CC(=C2CC2)C1)CCCC(C)C	2316499200	LIKMIRAKEYCPBA-UHFFFAOYSA-N	247.426	4.601	0	10	BJAE	
CC(=CC[C@H](N)c1cc(C)co1)CCCC(C)C	2316501345	DLRDFDCEXQILSP-HNNXBMFYSA-N	249.398	4.751	0	10	BJAE	
CCC(C)=CCN(C)[C@@H]1CCC[C@H]2CCCC[C@H]21	2316516565	IJUXPWGHZSFOPA-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1CCC2(CC1)CC2	2316868988	CLXJHTVJCVYXAY-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@]12CCCC[C@H]1C2	2316873406	GNYAOHKUIHZBJP-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CC2CCCCCC2)CCC12CCCCC2	2316878808	BAQZSMKWAIAAKX-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCC1(CC)CC(N[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316948791	XPDMBQFPOHJNLJ-DZKIICNBSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317144472	YLWLLWTXDQVIDE-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317158529	VAAOJTJPYLDFDY-FPCVCCKLSA-N	249.442	4.523	0	10	BJAE	
CC(C)CCCCCN[C@H]1C[C@H]2C=C[C@H]1CCC2	2317194680	MRSHBBDZFUNCFB-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1CC[C@@H]1C[C@H]2CCC[C@H]1CC2	2318799984	HRHWOGCYHXZUFN-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C	2320217819	QECRMWSVOSPRCR-BZUAXINKSA-N	249.442	4.548	0	10	BJAE	
CC1=C(C)C[C@@H](Cn2ccc3ccccc32)CC1	2320340605	NEJHKHDUADWYJT-HNNXBMFYSA-N	239.362	4.778	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@H]2CC[C@@H]3C[C@H]23)CC1	2320415091	XKORXTRHLWGTAX-KCYZZUKISA-N	246.394	4.518	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@H]2CC[C@@H](C)C2)c1	2320573671	BEVSDZVEBIIGBK-KGLIPLIRSA-N	244.378	4.819	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C23CC(CC(C)C)(C2)C3)C1	2321636408	IOOPAXWMUJMDPH-QBBMROGASA-N	248.410	4.598	0	10	BJAE	
CCCCc1ccc([C@H](NC)[C@H](C)CCC)cc1	35492989	WANKMYHMTQIWKY-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](C)c1ccc2ccccc2n1	59137765	IVUHHVDQICGJBW-GFCCVEGCSA-N	213.324	4.529	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)c1sccc1C	69636386	RVOFKBGCSGUQDV-CHWSQXEVSA-N	239.428	4.676	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCCC)C(C)C	71085259	UVTWTNNRNGKWHO-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H](C)CC)CC1	83184980	MPWONMSWZFWPQA-NFOMZHRRSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2c(Cl)cccc2Cl)C1	83847972	YNGQIQJHLLNKAG-BDAKNGLRSA-N	244.165	4.594	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H](C)CC2CC2)CC1	86947158	RRZKMOLRQUNDGC-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1sc(C)cc1C	88047963	OOMYIYVIYLXEPZ-STQMWFEESA-N	240.412	4.615	0	10	BJAE	
CCCCCCN[C@H](C)C1CCCCCC1	88169041	XIYNGIBQOHCADG-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCCC1(C)C	94305144	YXRXQRXFGFNCJL-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)c1ccc(C)c(C)c1	103976705	KUFJJCXXDCTXMI-LSDHHAIUSA-N	233.399	4.533	0	10	BJAE	
CCCCc1ccc(-c2ccc(C)c(N)c2)cc1	109774304	HCRKVITYBLAYKN-UHFFFAOYSA-N	239.362	4.587	0	10	BJAE	
CC(C)c1ccc([C@H](O)CCC2CCCC2)cc1	109790698	ABTNDDOSFJPUGW-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CCCCc1ccc([C@H](C)NCC(C)(C)C)cc1	109922374	MHEFOVYOOYZOLV-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CNCCC)C(C)C	110185385	NXAOWHPULQYSJV-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCCCC[C@H](N)c1c(Cl)cccc1Cl	125344556	MJKGAQQARGSARR-NSHDSACASA-N	246.181	4.574	0	10	BJAE	
C=C(c1ccc(Cl)c(Cl)c1)C(F)(F)F	139900614	CRRDJBJRQJVPGI-UHFFFAOYSA-N	241.039	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C[C@@H](C)C(C)(C)C)C1	169152880	ZZUULIJJYXRGMW-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C(CCC)CCC	211861034	ZPAHABKEGAGSCJ-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
CC[C@@H](N[C@H]1CC[C@@H](C)[C@@H](C)C1)c1ccccc1	220674669	YRUMBZSNCPLTMU-YQFWSFKMSA-N	245.410	4.552	0	10	BJAE	
C[C@H]1CC[C@H](C(C)(C)CCC(C)(C)C)[C@@H](O)C1	222625531	GHUKOCYSZNREMK-IHRRRGAJSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H]1CCCCC1(C)C	226564184	BWBSFTADLOWDTE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](c1cc(C)cc(C)c1)C1(C)CCCC1	229499699	KYJKXKINXUJMNU-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCC1(CN[C@H]2CCC[C@H](C3CC3)C2)CCCC1	233027408	CVFFUOPFKDCCRJ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@]1(C2=CCCCCC2)CCCCCN1	233374569	IRGAKFFVYKIDOU-MRXNPFEDSA-N	235.415	4.579	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CN[C@@H]2CCCCC2(C)C)C1	235396474	FDRPCTVYXFFABE-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc([C@H](N)CCCC(C)(C)C)s1	300937883	VTVXAYBZUPCHSB-GFCCVEGCSA-N	239.428	4.527	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H]1CCNc2ccccc21	305907793	DJMVNWULDMZCLI-KGLIPLIRSA-N	231.383	4.658	0	10	BJAE	
CCC[C@]1(C[C@H](C)CC(C)C)CCCCCN1	305935022	KNVGZWNAYIKEPP-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1ccsc1C	309397682	INSQUSXYCNIDST-JSGCOSHPSA-N	240.412	4.696	0	10	BJAE	
CCC1(CC(=O)c2ccc(SC)cc2)CCC1	310158112	QQKYJPVLVWSCNZ-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1F)c1cccs1	310207173	CUYWKQQURRQZIL-LLVKDONJSA-N	249.354	4.759	0	10	BJAE	
CCCC1([C@@H](CC2(CC)CCC2)NCC)CC1	310513518	LWNLHVSURZWLHU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](C[C@@H](C)C1CCCCC1)CC(C)(C)C	310525608	XUSDQMWKDYIMHF-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](Nc1ccc(C)cc1C)C1CCC1	322343243	CVWOZTIUDKHCOZ-INIZCTEOSA-N	231.383	4.684	0	10	BJAE	
CC1CCC(C[C@@H](O)C2(C)CCCCC2)CC1	379816650	RAEKKBPAFYQHOC-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@@H](O)c2ccc(C(C)C)cc2)CCC1	381402201	WSTGJZAXTGAQGA-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CC[C@H](N[C@@H](C)c1cccc(C)c1)C1CCCC1	382814255	WLSIRNAJSPTNAT-YOEHRIQHSA-N	245.410	4.614	0	10	BJAE	
Cc1cccc(OCC2CCC(C)(C)CC2)c1	383542757	UUFQHWPDDKUFCO-UHFFFAOYSA-N	232.367	4.590	0	10	BJAE	
CC(C)Oc1ccccc1N[C@H](C)CC(C)(C)C	384839319	ZISIEQPFBNNQJX-CYBMUJFWSA-N	249.398	4.710	0	10	BJAE	
CCCNCC/C=C(/C)C[C@H](C)c1ccccc1	384866312	HVFLRJPVNJSZRH-TYWAAFNRSA-N	245.410	4.516	0	10	BJAE	
CCN[C@H](C)CC(C)(C)CCC1=CCCCC1	384881780	UXLICINCFACVNR-CQSZACIVSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CC)CCCCC1=CCCCC1	384893036	YXEDMFNKPWTMJT-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)CCC1=CCCCC1	386248289	IVBWXMAYURHREG-INIZCTEOSA-N	244.378	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@@H](C)C(C)(C)C	386585727	IISSGSSHYCUTCU-CJNGLKHVSA-N	247.426	4.882	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@@H]2C[C@H](C)[C@H]2C)cc1	386802256	MUMLIBACUCXBCB-QDEZUTFSSA-N	245.410	4.505	0	10	BJAE	
CC[C@H](NCC(C)(C)CC(C)C)C1CCCC1	391151901	CEJUPAZUFSHKJB-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
C1CCCC(CNCC2(C3CC3)CCC2)CCC1	391418762	ASYAOOCPXVZITM-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(CNc2ccc(F)cc2)CCCCCC1	394553497	CPKQRGSPIXRVLV-UHFFFAOYSA-N	235.346	4.598	0	10	BJAE	
CC(C)CNCCCCCC1CCCCCC1	394579673	RWDUOTOWAFLFIM-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
Cc1c([C@H](O)CCC(C)C)ccc2ccccc12	395136458	RWDBGZQEIFLOKQ-QGZVFWFLSA-N	242.362	4.618	0	10	BJAE	
Cc1cc(F)ccc1NCCCC1CCCCC1	395192049	ZKEOWZLEFPXRDP-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCc1cc(CC)c2c(C(F)F)csc2c1	396167357	JOCIEVWWZPAZQC-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1cc2c(C(F)F)csc2cc1C	396211390	AVISFKUYCROHPR-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H](C)C2CCC2)c(C)c1	398752783	RLTKOAVGZKDICA-GFCCVEGCSA-N	244.378	4.621	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H](C)C(C)(C)C	399330538	UVBGFGJMWPKXGS-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NCCC	402173623	YDWPMKRRTMUADN-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N[C@@H](C)CC2CCCC2)c(F)c1	689800693	NNLDBIFPNRLGLL-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
C[C@H]1C[C@H](Nc2cccc(C3CC3)c2)CC[C@H]1C	690076807	QQARWWVYNSXOAW-IIYDPXPESA-N	243.394	4.801	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H](C)C1(C)CC1	690190165	VCJAXUCUSWAZIE-CYBMUJFWSA-N	245.410	4.720	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1Nc1ccccc1Cl	691069182	ORMBBFLVCVDELO-DGCLKSJQSA-N	237.774	4.721	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1ccccc1C	691137152	KDSKZSITJPOTMZ-GOEBONIOSA-N	231.383	4.766	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCCC[C@H]1C1CC1	696102244	CCLZLBRWAWNMPO-GOEBONIOSA-N	247.357	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCC[C@@H]2C2CC2)CC1	696106294	BGDNUXKUXDTZPW-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@H](CC(C)(C)CC)NCC	696162909	FGHVFTQJXCICOE-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)=CCCC(=O)C1CCCCCCC1	697866667	POPYTFYZFUAELO-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
Cc1ccc(F)c(NC2C(C)(C)CCC2(C)C)c1	699621653	OJSJVXQIFMUYHC-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCN[C@H](C(C(C)C)C(C)C)C(C)(CC)CC	701183120	JSISGMGNQRNTHQ-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](NCC1=CCCC1)c1ccccc1	702325688	WESDGNJCVRFFBA-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
Cc1ccc([C@H](N)CC2=CCCCC2)c(Cl)c1	704487877	CYTPXHIECGWAHS-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CC[C@H](C(=O)[C@H]1CCCC[C@@H]1C)c1ccccc1	704920446	BGKUZVNXKMRQMQ-BPUTZDHNSA-N	244.378	4.576	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)c1cccc(C2CCC2)c1	708270328	NXCUHYGIQRFZNZ-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
C[C@@H](CN[C@H]1CCCCC1(C)C)CC(C)(C)C	709121884	GPWMURSKBXYVQB-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](NCCC1CCCCC1)[C@@]12CCCC[C@@H]1C2	709154925	LUOCNBGTFAGBRU-UAGQMJEPSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](C)Nc2csc(C)c2)c(C)c1	710711335	PNPJSTWBJOLQCC-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
C[C@@H](C[C@@H](O)c1cc(Cl)cs1)C(C)(C)C	710773312	PTNBVAATJPEZJT-WCBMZHEXSA-N	246.803	4.507	0	10	BJAE	
C[C@H](C[C@]1(N)C[C@H]2CC[C@H](C2)C1)C1CCCCC1	711195315	QYOMNRKBXAKCCR-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](N)C1(CC(C)C)CCCC1	713127280	ZABUJAHPVAGUQI-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)[C@@H](CC(C)(C)CC)NC	713131022	DXXSIRQVWBJKEH-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@H]1CC(C)(C)CC	713184471	OLCAEWPRXYSBPX-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](CC(C)(C)C(C)C)c1ccc(C)c(C)c1	713238492	BCBYHDFCFDDVJP-INIZCTEOSA-N	247.426	4.636	0	10	BJAE	
CCC[C@](O)(CC(C)(C)C(C)C)[C@@H]1CC1(C)C	713258028	LNODBOWUQICXKM-CJNGLKHVSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C\CCC1(CNC)CCC(C(C)C)CC1	713692431	BBFNXZYOEIRHPP-SREVYHEPSA-N	249.442	4.561	0	10	BJAE	
N[C@H](C1CCCCC1)[C@@H]1CCC[C@H]2CCCC[C@H]21	714477116	SZGHWQWNIWJOHV-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
C/C=C/C[C@@H](CC)c1cc(C)ccc1C	714557035	IIIJEMBXODCDGU-HZRUHFOJSA-N	202.341	4.763	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NC2CCC=CCC2)CC1	718053534	QHKJKWGEKHDTFW-WBVHZDCISA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1C)C(CCC)CCC	722692216	CZUGCXHTIFPSKR-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(CC1CC(C)(C)C1)C1CCCC1	723583133	PZEZTYSYBKTGMM-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
Fc1ccc(-c2ccc(-c3ccccc3)cc2)cn1	1239492732	VDNQYTGATDQOQH-UHFFFAOYSA-N	249.288	4.555	0	10	BJAE	
C=C/C=C/CCN[C@H](CCCCC)C(C)(C)C	1459831151	CQTYGYHAZKKETP-TUPIDYKKSA-N	237.431	4.703	0	10	BJAE	
CCC(CC)SC[C@H](C)C(C)(C)C	1643686731	FOWNYTXLKHNSET-JTQLQIEISA-N	202.407	4.590	0	10	BJAE	
CC(C)[C@@H](C)SCc1c(F)cccc1Cl	1656321001	DAVRRCLBURQQKO-SECBINFHSA-N	246.778	4.757	0	10	BJAE	
CCC(CC)CC[C@](C)(O)CCC(C)(C)C	1900699655	CMNTWMQMBIRBFY-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCC[C@H](C)CC1	1900712708	KLSPILYTMKXXGO-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCC[C@H]1CC	1900713882	SFODIXRDMJJNHT-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CC[C@](C)(CN)CC=C(C)CCCC(C)C	1900823326	PNMFPDZMMANMBS-HNNXBMFYSA-N	225.420	4.524	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC=C(C)CC)C1	1900867050	RBVPBWLUUIEOER-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCC(CC)c1ccc([C@H]2CC2(F)F)cc1	1901881951	YNNYWLSKBGKTJY-CYBMUJFWSA-N	224.294	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CCC)C(C)(C)C	1905360804	MISWJPXNLMTVOP-ZFWWWQNUSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(CCC)CNCC	1905432259	BFHYJGKYXRSRQA-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CC(C)c1ccc(OCC(Cl)=CCl)cc1	1911549057	AOWXWVJQOZCMBW-UHFFFAOYSA-N	245.149	4.508	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CCC2(CCCCC2)C1	1915907362	FKQYEIJFTNOVMO-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC3(CCCC3)C2)c1	1916428020	SKMXPQHFDFQYQC-OAHLLOKOSA-N	243.394	4.828	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2CCC[C@H]2C)C=CCCC1	1916567600	CGNIQXGMDVCQAQ-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCC(C)(C)CC	1919939190	AEWKHDZBHCACLN-ZFWWWQNUSA-N	228.420	4.780	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)[C@H]1CCCC12CCC2	1921587525	WWOVBIRONBPMDS-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC[C@H]1CCCC12CCC2)C1CCCCC1	1921602132	KRHZWRQLXCJAKL-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H](C)C1CCCC1	1923892786	KQZCFVNMPGPFDS-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CC(C)CCC[C@H](C)NC[C@@H]1C=CCCCC1	1925919958	HYOZONZLSWFTEL-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)C1CCCCCC1	1940256346	PMZJRASXMPPBEO-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC1CC1)CC1(C)CCCCC1	1940411398	WCGGTIUSPWQITG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](CCCC2(C)CC2)C1	1940877292	PRZKZNFDQKPYER-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)CCCC(C)(C)C	1941242779	GLHFJQWLOPUFSE-HUUCEWRRSA-N	242.447	4.882	0	10	BJAE	
CC(C)C[C@H](C(=O)CCCC1CCC1)C(C)C	1941271607	FKPQKHHOTQBBRH-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)CCCCCC1CC1	1941579583	PRENNQAGUCHUJD-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](C)NCCCCCC1CC1	1941581227	IKJXFBNOTZDASD-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@H](NC[C@@H](CC)C(C)C)C1CCCC1	1941929903	VFODGLOCTQNNMQ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC(C)C)CCCC1(C)C	1944479017	XYHQLYJVHDPOJV-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C[C@@H](C)C1CC1	1944518747	XVPRFAUQRSEBSA-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)CCNC1(C2CCCCC2)CCC1	1945294906	ZXVBBRXVLMKOSA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@H](O)C[C@H]1C=CCCC1)CC(C)(C)C	1947602636	NRPUZHXEPOMULN-ILXRZTDVSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H](CCC)C[C@H]1CCCC[C@H]1CC	1948864665	PLAKMOCXULUHCE-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](N[C@H]1CCC12CCC2)c1cccs1	1949323523	BKDUIIRPRYMNPT-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC1CC(C)(C)C1	1949733472	KJWZZHKQBFHAKK-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](O)CC2CCCCC2)C1	1949915801	IYLVVPYPWQBDFA-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H](C)C1CCCCC1	1963229849	UXHSVJAKQUVBFR-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C1CCC(CCCNC2CC(C3CCC3)C2)CC1	1967852572	MUVHMPYVFAOXEH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCCCC23CCC3)c1	1968230635	SWQIODMKGHBUST-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC1CC2(CC2)C1	1968349397	BXBZKBBNDOWCLU-UHFFFAOYSA-N	244.378	4.687	0	10	BJAE	
Cc1cccc(C)c1NCC[C@@H]1CCC[C@H](C)C1	1968351735	MRWWQSQEPXWAJN-BBRMVZONSA-N	245.410	4.932	0	10	BJAE	
CCCCC[C@](C)(O)C1CCC(C)(C)CC1	1975978150	BYXWHKWXQPBXKC-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1(C)CC=CC1	1976661229	XKQLVUDGXYZTGI-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCC(CC)(CC)[C@@H](CCCC(C)C)NC	1978522460	CDEGZXLCQFEMGK-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCCC(C)(C)N[C@@H]1CCCC[C@H]1CC	1987100879	BMDSVWQTVFLZRU-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CCC(CC)CC(=O)CC(C(C)C)C(C)C	1988299288	IRFLGQZPXFIAOF-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC1CCCC1	1995253525	INBCYJNPMVLQAD-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](CC[C@@H](C)CCCC)NC	1995259422	MXGGVRPTNBPQOJ-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CC1(C)CCC[C@H](NC(C)(C)C2CCCC2)C1	1995815035	KFPBEZDTPYVIPM-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2=CCCC2)CC1	1997104321	JPEBBPIQYANQAT-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@H]1CCCC(C)(C)C1	2000156425	YWGGUQQEWNSGJZ-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CCCC1CCC1	2000195075	MJYTXLNQSQCUDL-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CCCC1([C@@H](C[C@@H](C)CC(C)C)NC)CCC1	2000332361	JFVGLDIKGFDBTB-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1CC12CCCC2	2001216331	POCBQHJGAGUGRL-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C2CC(CC)C2)CC1	2002305781	ICGZDLQMOIBELM-KNIAUWFNSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CN(C)[C@H](C)[C@H]1CCC[C@@H](C)C1	2002992002	XWBMTFRAXXKNRK-KFWWJZLASA-N	239.447	4.569	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(N)[C@H]1CCC[C@@H](C)C1	2003014102	KSJXPEXOHDKVIS-FXUDXRNXSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)[C@H]1CCC[C@H](C)C1	2003016808	QQSPGYGWAMYIBR-CWRNSKLLSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@@H](C(C)(C)CC)[C@]1(C)C=CCCC1	2003320757	JTIMKUSUOJEEEH-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@H](NC)[C@H]1C	2006987310	XSXGFRAGIZDFHL-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(CCF)cc1	2007028421	RPNNFNYTPBXUNG-ZDUSSCGKSA-N	237.362	4.579	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)C1(C)CCC(C)(C)CC1	2007681000	DKNHWOFTRMQWLE-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC1CC(C(C)C)C1	2007748483	DARRPPRFPXGYAL-GRAKBVBRSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCCC(=O)C1CC(C2CCC2)C1	2007786335	WHIRPPJAJIHXFE-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC(C)C)CCC[C@@H]1C	2009629754	USWQBXICJAJKEO-DKLOGILVSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C1=CC[C@H](CC)CC1	2010713498	DWDQYLUKWZGDGK-IJEWVQPXSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](N)(CC)C1CC2(C1)CC(C)(C)C2	2012113067	MOGVPXYFBUPKPW-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(CC(=O)[C@H]1CC[C@H](C)CC1)C(C)C	2015386149	KOAYZWKXSKVMRT-HDJSIYSDSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(CC(=O)[C@@H]1CCCC[C@@H]1C)C(C)C	2015387537	QXKSXLXSQAOVJA-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC(C(C)C)C(C)C	2015410294	URJJEYBEBBELOP-MRXNPFEDSA-N	241.463	4.848	0	10	BJAE	
CCCC1(C[C@@]2(N)CC[C@@H]2CC(C)C)CCC1	2015642362	PQHAECDLGPYSMN-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)CCC2CCC2)CCC1	2017141870	SCLGLRVUYHWQDJ-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC1(C(C)(C)C)CCC1	2017143168	KPYVPBZWEOVJKD-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@H]1C)C(C)(CC)CC	2017246580	SOTOOZPNQWYIHS-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CNCC1(C)CCC(C)(C)CC1	2017469410	RTIMROHPBJXUKT-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC1CCC(C[C@H](N)C(C)(CC)CC)CC1	2017723390	JKBOUWDSEBAOLR-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(N)CC2CC2)CC1	2017730416	HFDAENGUKLQCCW-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2018132902	YDUVLPIMZMGWRS-QKPAOTATSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC[C@]12CCCC[C@H]1C2)NCC	2018578909	TWFZAOLUSCMSIU-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(CC)C1CCCCC1	2019199660	LWIKFBHPSZBXQP-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H](Nc1ccccc1C1CC1)C1CC1	2021025725	AEUQNSLCMPSARX-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
CC1(C)CC[C@@H](Nc2ccccc2C2CC2)C1	2021026314	QDWWMPSZXNRJJD-CYBMUJFWSA-N	229.367	4.555	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)[C@H]1CC[C@H](N)CC1	2023554114	XJNBGFBLAZCFCV-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@@H]1CCCC(C)(C)C1	2024095429	RBVUNSKSEFBZNT-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@H]2CCC2(C)C)C1	2024102865	WPOPBIVFKLBEAZ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@](C)(O)CCC1CC(C)(C)CC(C)(C)C1	2024122500	IBLLQDOPSSORHI-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC1(CCC)CC1	2026169140	GQSSETAMMTYRHJ-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CC1(C[C@H](N)[C@H]2CCCC3(CC3)C2)CCCCC1	2027313793	JHYMPWGZIJGRQQ-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCC[C@H]1CC1(C)C)c1ccco1	2027854242	CMSNWMKDBZMNPV-UONOGXRCSA-N	249.398	4.537	0	10	BJAE	
CC[C@H](C)C[C@H]1Nc2cc(C(C)(C)C)ccc2O1	2027872041	WUISMWSZIOVVDL-NHYWBVRUSA-N	247.382	4.551	0	10	BJAE	
CCc1ccc(CC)c(C(=O)[C@H](CC)C(C)C)c1	2028253430	WPWXVMJXUYLNSF-OAHLLOKOSA-N	246.394	4.676	0	10	BJAE	
C[C@H](NC(C)(C)C1CCCC1)[C@]12CCCC[C@@H]1C2	2033147435	OYVQIRRAHGXLCE-YSVLISHTSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@H]1CC12CCCC2	2036093416	IKIPIJCNSYXYBL-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@H]1CC12CCCC2	2036093703	ATRWHHYVVOUGTQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1)C1CCC1	2036662297	VKNYVKIMRXZVQF-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CCC(N)(CC2CC3(CC3)C2)CC1	2036730775	RVEJHTAJPSAVEK-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCC1	2037132689	NEXMXWVHELUUOX-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](N)([C@@H]2CCC3(CCCC3)C2)C1	2037587272	BAJRNEJSQTVFIZ-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
C[C@H](c1cccc(N)c1)[C@H]1CCC2(CCCC2)C1	2037690883	ADIMVNOGJHYBLP-HIFRSBDPSA-N	243.394	4.733	0	10	BJAE	
CC1(C)CCC2(CC1)CC(NC1CCCCC1)C2	2038932711	HIDBDIIBQCEUFV-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2C=CCCCC2)CCCCC1	2039849048	IKLVNDXUTVJFHM-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCC1CC(N[C@@H]2CCCC3(CCCCC3)C2)C1	2040763894	WANIDFFCLUYEOU-HWOWSKLDSA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@]1(CCC(C)=C(C)C)CC=CCC1	2042095023	WUBPEIYCASTPSV-QGZVFWFLSA-N	249.442	4.849	0	10	BJAE	
CC[C@@H]1CC[C@@H]1N[C@@H](CC(C)C)c1ccccc1	2043675806	JDBCWTOBONQRGG-PVAVHDDUSA-N	245.410	4.552	0	10	BJAE	
N[C@]1(C[C@@H]2CCC=CCCC2)CCC=CCCC1	2045316836	HJOQITSIMALEAU-IAGOWNOFSA-N	247.426	4.731	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CCCCCC2CC2)C1	2045561460	GJRLPSBLKGXIFI-CZUORRHYSA-N	248.410	4.908	0	10	BJAE	
C1CCCC(NC2CC3(CCCCCC3)C2)CC1	2046230645	VMLRCPVJRYNGDF-UHFFFAOYSA-N	249.442	4.802	0	10	BJAE	
CC(C)[C@H](NC1CC2(CCCCCC2)C1)C1CC1	2046234218	ZNEGKFBDSYZZLM-INIZCTEOSA-N	249.442	4.514	0	10	BJAE	
C[C@](N)(C[C@@H]1CC12CCCCC2)C1CCCCC1	2047055828	NVCUTEJMJAXZFH-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCC/C=C/CNC[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047433974	GMLFDMHTXQRQEK-GZJGPHLQSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H]1[C@]1(N)CCCCC12CCCCC2	2047563051	XMMFPBNRIPOKEK-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCCC1(NC[C@H]2[C@H]3CCCCC[C@H]32)CCCC1	2048444363	BPCQFMQYDOZTBH-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2[C@@H]3CCCCC[C@@H]23)C1	2048465366	IOAJQLROJVHXMY-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CC1[C@H]2CCCCC[C@H]12)C1CCCCCC1	2048477326	SBEIOUDVUJVOGO-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1[C@H]2CCCCCCC[C@@H]2C12CCCC2	2049673882	YTTBQDJUZMQVKL-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@@H]1CCC2(CC2)C1	2049855979	PTTBOKNQFBJKEV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2049858505	VJOFZXKPANITMY-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC(=O)c2cccc(F)c2)C1	2050495548	VHAPGUZHZCZJIB-CHWSQXEVSA-N	248.341	4.615	0	10	BJAE	
CCC1(C)CCC(NCCC2=CCCCC2)CC1	2051593973	QZXUZKDINSFTMT-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCC[C@@H]2CC[C@H]21	2052287233	WBCQNVLZSIYLPD-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H]2CCCCC23CC3)CC1	2053332038	MEDIQHXBSKKRQV-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@]1(CC2CCCC2)CCCC12CC2	2053360716	VSABWLUEPAYWJS-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(C[C@@H](C)C2CCCCC2)C1	2054987064	JLJOTDGPOBVMLB-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CCC1CC(C[C@@]2(N)CC(C)(C)CC3(CC3)C2)C1	2056640187	MXPKQXCWXDNTOO-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC1CC(=C2CC2)C1	2061665911	VHPXSHABPNSKTG-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC1([C@@H](O)CC2CC(=C3CC3)C2)CCCCCC1	2061685291	PIWACLNRJNBZIT-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCC1(C)C)c1occc1C	2063677926	MPNLREPWNDDYIK-KGLIPLIRSA-N	249.398	4.598	0	10	BJAE	
CC(C)C1(C(=O)C2CC3(C2)CC(C)(C)C3)CCC1	2063812866	OLXTTZMUWWRFLR-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)C(CCCC(=O)c1ccccc1)C(C)C	2068975349	BUODMAJGLLMASF-UHFFFAOYSA-N	246.394	4.968	0	10	BJAE	
CCCC1(C[C@H](N)C[C@@H]2CCC[C@H]3C[C@@H]23)CCC1	2069340376	UJPCTHNAQUBMMC-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCOc1ccccc1N[C@@H](C)CCC=C(C)C	2070399383	QPSWRSGWHAPHKM-AWEZNQCLSA-N	247.382	4.632	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)c2ccc(C)cc2)CC1	2072801725	QHFYQDCJGZJQMW-ZOBUZTSGSA-N	245.410	4.601	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@]12CCCC[C@@H]1C2	2074052775	XRNPWWJSBPVDAA-PBHICJAKSA-N	242.362	4.538	0	10	BJAE	
CCCC1CCC(C=C2CCNCC[C@H]2C)CC1	2076323759	WZNBXHURHPJQGP-QQFBHYJXSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CCC(C)=C(C)C	2076510648	XAIOQKRPDSQSFZ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1ccccc1C1CCC1	2077263992	HQOPJAYQTYZUCH-XJKSGUPXSA-N	243.394	4.945	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@@H]2C2CCC2)CC1	2079329936	VKHSRVSMOTXKIA-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2C[C@@H]2C2CCCCC2)C1	2079531173	QLZDTYYQJOZXGO-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@H]1C1CCCC1)C1CCCC1	2079851786	NCWBDEXCBSCREO-RCBQFDQVSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)(CN)CC1CC2(C1)CC1(CCC1)C2	2083616639	BNBWBODDUMREOF-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCc1ccc(N)c(-c2cccc3ccccc23)c1	2095472447	MZQCEEYNUIEAMS-UHFFFAOYSA-N	247.341	4.651	0	10	BJAE	
CCCC1(CC(=O)c2scc(C)c2C)CC1	2210575470	AFOOWNFLYCVFHX-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
FC(F)(F)CCCC/C=C/c1ccccc1	2210661957	HQAXFQMRUCAWBE-XBXARRHUSA-N	228.257	4.823	0	10	BJAE	
CCC[C@@H](CCC(C)(C)C)CN[C@H](C)CC	2212597678	PHQXKOVBKKGKST-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@H]([C@H](N)CCCCCCC1CC1)C(C)(C)C	2213575135	BVIZTABIKGIOMT-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCC(F)(F)C(=O)CCCCCCCC1CC1	2216858625	DRTMXPCPHXAPSK-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CN[C@@H]1CCC[C@@H]1CCCCCCCC1CC1	2216879379	IPCDCFLDUJIITH-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)[C@H]1CCC1(C)C	2217154268	SFYZSVNWUDYSFL-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CCCC(C)(C)C)C1CC1	2217155597	DGBDGPKTNVZGNR-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](N[C@@H]2C=CCCCCC2)C1	2218040504	PCTITOIUORLEJM-BZUAXINKSA-N	249.442	4.680	0	10	BJAE	
C[C@@](N)(CCC1CC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218362083	SXEDXQOANLUQSS-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(=O)C[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218378714	VEHNMWMHFFJRFL-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)[C@H]1C=CCCC1	2218379294	BZNUWVGKTPYZNE-JJXSEGSLSA-N	246.394	4.518	0	10	BJAE	
NC[C@@H]1C[C@@H](CCCCCCC2CC2)C12CCC2	2218723854	DQJIGYOUMNLBRS-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CC[C@@H]1CC1(CNC2CC2)CCCCCC1	2220659178	IUYXECIFYHIQKE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(CC=Cc2ccccc2)c(C)c1	2221930025	ZNSCWBVORYOTPR-UHFFFAOYSA-N	236.358	4.868	0	10	BJAE	
CC1CC(C(=O)C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2222953736	DUCVPICPPLSUJM-JJCQNKCGSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)c1ccc2occc2c1	2224148236	CKAPAMIYZZBFII-ABAIWWIYSA-N	245.366	4.505	0	10	BJAE	
C[C@@H](c1ccccc1)[C@@H](N)C[C@H](C)CC(C)(C)C	2224166124	QKDNKVHJURJRRN-DZKIICNBSA-N	247.426	4.580	0	10	BJAE	
CC(C)CCC(=O)CC[C@@H]1CCC[C@@H](C)C1	2242763923	SKBNPAXCXMQJAG-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCNCCC(C)(C)CC[C@H]1CCC[C@H](C)C1	2246687643	PUEKRKXLGULKRR-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@H]1CCC1(C)C	2247311086	BCQHKKPCNQKBFB-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CNC(C(C)(C)C)C(C)(C)C)C(C)C	2247753546	AMYJWTVNPXRRCT-CYBMUJFWSA-N	241.463	4.719	0	10	BJAE	
CC(C)C1(C(=O)CCCCC[C@H]2C[C@@H]2C)CC1	2248880899	VHCDPXPIDKLZSX-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCCCCOc1cccc2c1CCCC2	2248965028	UOCIJMPPQCLQPL-UHFFFAOYSA-N	232.367	4.525	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H](CC)CCC	2250356667	FNOBKPQZIJHIBP-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CCC[C@@H](C)CN[C@@H]1CC(C)(C)CCC1(C)C	2251678766	OCBUNPLHVQZFRC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1CC(CCC(=O)c2ccc(C3CC3)s2)C1	2251771596	LTHPWSQYDAZDHP-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCC1(C[C@H](C[C@H]2CCCCC23CC3)NC)CC1	2253809325	FSOJSPUYLLPAOD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC1(NCC[C@H]2CCCCC23CC3)CCC1	2253889062	JIGPVZFIGBXCMP-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CC1CC2(CCC2)C1	2254600316	XKGPMOFYUNUJEA-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CCCN(CC[C@H]1CCCC12CC2)C1CCCC1	2255235839	UBCPNTPWOHIKRV-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NCC[C@@H]1CCCC12CC2	2255292057	VDVPZOIXALBAGN-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@]12CCC[C@@H]1CC2	2260507015	KRKXEWTUASUITC-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@@]23CCC[C@@H]2CC3)C1	2260581120	CTMSJFRKOYCMSP-DLTWYDFYSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)C[C@]12CCCC[C@@H]1CC2	2260645926	KHALMFPPIBGEAZ-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCNc1cccc(C2CCCC2)c1	2260665847	ZAODRYZMNYVRIU-ZFWWWQNUSA-N	243.394	4.802	0	10	BJAE	
C[C@H]1CC=C[C@](N)(CC2CC(CC(C)(C)C)C2)C1	2261259201	SRZGPJLHZIXQFC-PBMMVSLJSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCC[C@@H]1C[C@@H]1C	2297876672	QADKLPBXIALFRR-QKPAOTATSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCC[C@@H]1C[C@H]1C)NCC	2298645911	CLWZLJVPZAMXLE-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC(=O)c1ccc(S[C@H](C)CC2CCC2)cc1	2298888467	JMJFVQDYHLMTKD-LLVKDONJSA-N	248.391	4.560	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)[C@@H](C)CC1CCC1	2298939889	QSVSXADXTGVNMX-IMJJTQAJSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@](C)(O)[C@]12CCCC[C@@H]1C2	2300684205	RJZROUWVSLMCAN-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H]1CC[C@@H]2CCCC[C@H]2N1	2300697735	RZIYULLKOPSJCC-ARFHVFGLSA-N	237.431	4.514	0	10	BJAE	
CCC(C)=CC[C@H](O)c1ccc(C(C)C)cc1	2300869367	HUOXRVMFGSHLDR-INIZCTEOSA-N	232.367	4.590	0	10	BJAE	
C[C@@H]1CC[C@H](N)[C@H](CC2CCCCCC2)CC1	2301245220	UKHBYIBVXCRLBK-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(CCC[C@@H]1CCCC[C@@H]1N)C(C)C	2302661547	OWXCGJFGVQOHOB-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCC(C)=C(C)C1	2303460155	YOVNQPDLRODSBJ-CVEARBPZSA-N	237.431	4.824	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1CCC(C)=C(C)C1	2303517125	UUIBUUPNEHFDEZ-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
CCCNC[C@@H](CC)CC[C@H]1CCC(C)(C)C1	2304429591	YGYSFJRHGSSRTJ-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)CC(C)(C)C)c1	2307500881	JDWXGYLRCZRNDH-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
CC(C)(F)[C@](C)(F)CCC=Cc1ccccc1	2307745236	VUWJOUBGEQLTGQ-OAHLLOKOSA-N	238.321	4.956	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@@H]2CCCC[C@H]2N1	2307821552	HVOCIHSTUAPDAU-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC[C@@H](C2CC2)C1	2307822278	HQTIZPLXRGJHLT-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CNC(C)(C)C)C(C)C	2307833194	ZKPUVEUMZZUFQF-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](CC1CCCC1)NC	2307901034	XBCRAPXLHLZBMZ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C12CCCC1CCC2	2307909089	JFTJHLIIPICXLK-VQCLRJIVSA-N	236.399	4.742	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309147594	HATAMRDVCANVEK-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CCC(=O)C[C@H]1CCC[C@@H]2C[C@H]12)C1CC1	2309965118	WHKQBLVCYUIGAE-XJKCOSOUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2C[C@H]2C2CCCC2)C1	2311572079	XWUBSGILWGYTAC-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(C(=O)C[C@@]23CCCC[C@@H]2CC3)CC=CCC1	2313317772	LCYRPJQJZDEMLN-OIISXLGYSA-N	246.394	4.662	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2316507959	HHBBOZBPEGOOPR-ARFHVFGLSA-N	248.410	4.908	0	10	BJAE	
CC(=CC[C@H](N)C1C[C@@H]2C[C@H]2C1)CCCC(C)C	2316508203	IVIAIVGWGJLMQH-ZOBUZTSGSA-N	249.442	4.523	0	10	BJAE	
CC(=CCC(=O)[C@H]1[C@H]2CCC[C@H]21)CCCC(C)C	2316510259	UETJMBXMAZOUEP-SCAQPMJSSA-N	248.410	4.764	0	10	BJAE	
CCC(C)=CC[C@@H]1C[C@H](C)CC[C@H]1CNC1CC1	2316532844	SWDQGBBDXQHQJR-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2317012895	KSGXMWJNUNAPTL-XJNFMUPTSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC[C@@H]1CC[C@H]1C1CC1	2319741094	ZTNHPJISPKMCSK-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2320405902	HBOIGFNVJUBUNO-XUWVNRHRSA-N	246.394	4.518	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC(C)=C(C)C1)C1CCCC1	2320420586	QFZCSMJPYFHAJR-SJORKVTESA-N	249.442	4.824	0	10	BJAE	
CC1=C(C)C[C@H](CNC2(C)CCCCCC2)CC1	2320422255	GMGLAZCKBMMKEN-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)[C@@H](C)CC1CC1	2320516715	KHOXHLDLPVDZFX-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CCC(CC)C[C@H](N)c1cc(C)ccc1C(C)C	2327795200	RAUPELZPYSMXQP-KRWDZBQOSA-N	247.426	4.945	0	10	BJAE	
CC1CC([C@H](C)Nc2cccc(C(C)C)c2F)C1	2327802858	SUIYQUMOGZZFLD-CPCZMJQVSA-N	249.373	4.796	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1	20471621	GLQUKRNPLGYZPU-CHWSQXEVSA-N	249.373	4.761	0	10	BJAE	
CC(=O)CC(C)(C)C1CCC(C(C)(C)C)CC1	34466994	LHPQISQKPHLNLA-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
Clc1cc(Cl)c2[nH]c3ccccc3c2c1	34519629	WDRFQIRRQYFHOM-UHFFFAOYSA-N	236.101	4.628	0	10	BJAE	
Oc1ccccc1-c1ccccc1-c1ccccc1	34543181	KYVLJCKVFMCALE-UHFFFAOYSA-N	246.309	4.726	0	10	BJAE	
CCCCN[C@H]1CCCC[C@H]1C1CCCCC1	34994627	NRRPKUKNWVKCMA-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C)c1sc2ccc(C)cc2c1C	40996329	CBQWLQYPEKMQJO-GFCCVEGCSA-N	247.407	4.579	0	10	BJAE	
CC[C@@H](N[C@H](C)C1CCCC1)c1ccc(C)cc1	70533233	HVMBTYMVJMRWEX-RHSMWYFYSA-N	245.410	4.614	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H](C)c1ccccc1	83377767	DVYHAINODKWJGQ-RDJZCZTQSA-N	247.426	4.739	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC(C)(C)C2)c(F)c1	83783410	UCMSBOLYKVMLKF-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
C[C@H]1CC(CCC(=O)c2ccccc2)C[C@H](C)C1	84958266	PRIMCIJQFQYEEQ-ZIAGYGMSSA-N	244.378	4.722	0	10	BJAE	
CCCN[C@H](c1cc(C)c(C)cc1C)[C@@H](C)CC	86495541	LAWWUQHXCVPJSK-SJCJKPOMSA-N	247.426	4.699	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C2CCCCCCC2)c1	86578819	GVEMMBJPDXHBSM-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCCC1(C)C	86867335	YCHMTZQUSXFMTB-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@@H](C)CC2)c1C	86879250	JGYIGQXJANXPAU-IUODEOHRSA-N	231.383	4.684	0	10	BJAE	
CC1CCC([C@@]2(N)CCCC(C)(C)CC2)CC1	86897203	SNQMVVRSKWASRX-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H]1CCCC(C)(C)CC1	86909377	WVNJVFXFXPMVBM-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@](O)(CCC)c1ccccc1	87165762	UHFWSBCXPBIBQS-HOCLYGCPSA-N	234.383	4.501	0	10	BJAE	
CCCC1CCC(CN)(CCC(C)(C)C)CC1	87960436	HFMBNVJMNQADJI-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CCCCC[C@H](CNCCC)c1cccc(C)c1	93127168	HCWJKRDCOSBBEY-QGZVFWFLSA-N	247.426	4.659	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCCC2(C)C)c(C)c1	94307354	LPWXOEKZQLTJSY-AWEZNQCLSA-N	231.383	4.602	0	10	BJAE	
CCN[C@H](c1cc2ccccc2o1)C(CC)CC	94676575	BUWYTIGKDQIWCR-INIZCTEOSA-N	245.366	4.520	0	10	BJAE	
CCC(C)(C)[C@@H]1CC=C(N2CCC(C)CC2)CC1	103540579	FJONAVADOCHPDX-OAHLLOKOSA-N	249.442	4.839	0	10	BJAE	
Cc1ccc([C@H](C)NCCC2CCCC2)cc1C	109896898	PUHAHYBYSMGVDR-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@H](c1cc(C)ccc1C)C(C)(C)CC	110214608	FMTOCSVPSGCTLQ-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1NC	111235565	JBJZJIAAFCNMLL-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1CCC(C)CC1	111746075	KOKFYORTMWHRBL-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCNc1ccccc1C(F)(F)F	113101448	YVGMVWBZTMOQPI-UHFFFAOYSA-N	245.288	4.554	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H](C)CCC)NC	126008049	WPETXDKQPHOMGA-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)CNc1cc(Cl)c(C)cc1Cl	132048340	AKHLJJSIPLQPSB-QMMMGPOBSA-N	246.181	4.760	0	10	BJAE	
CCCCC[C@H]1CCCCC[C@H]1CNC(C)C	157877820	GUGQCJUZHMNDBG-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](c1cccc2ccsc12)[C@@H](C)CC	163271435	ZHPICGILKNFSGM-SMDDNHRTSA-N	247.407	4.598	0	10	BJAE	
CC[C@@H](C(=O)CCC(C)(C)C)c1ccccc1	165209127	VXBQYGFDWITMRT-CQSZACIVSA-N	232.367	4.576	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@H]2CC(C)(C)[C@@H]2CC1	167220409	SITKOPDZOGHVLY-REWJHTLYSA-N	208.389	4.885	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(O)C1CCCCCC1	167670636	PTNBTNAQCLJECD-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCCC[C@@H]2C(C)C)c1	214446883	ZHTCDZGBSRZTKJ-IAGOWNOFSA-N	245.410	4.930	0	10	BJAE	
CC(C)c1cccc2c1N[C@@H](C(C)(C)C)CS2	214913109	FNSYPPHCIOMONK-CYBMUJFWSA-N	249.423	4.742	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCC[C@@H](CC)C1	226931604	NJLBIZMBLLEBOM-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](c1c(C)cccc1C)[C@H](C)CCC	233179963	XHBMHMMFMCBWJQ-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](C)C(CC)(CC)CNC(C)(C)C	233273254	CYBZHSZFKBKLKP-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCC(C)(C)C[C@H]1C	250780165	RTWHVAJIFNTMMJ-VNHYZAJKSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](Oc2cccc(Cl)c2)C1	251678354	AIZJBQDJPQBEMX-YABSGUDNSA-N	238.758	4.544	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@@H]2CCC[C@H]2C)cc1	300285247	KNGQAGIEHYXFNX-IXKJSCDLSA-N	246.394	4.670	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1ccc(Cl)s1	300901546	QYZRYWIUVBSEGB-VIFPVBQESA-N	245.819	4.618	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)C)c1cc(C)ccc1C	302297931	GZSDTDXQHZEJIG-YOEHRIQHSA-N	247.426	4.636	0	10	BJAE	
Cc1ccc(C)c(C(=O)CCCC(C)(C)C)c1	304151269	PWAMCNSJBVQWTJ-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CCCC[C@H](CC)CNc1cc(C)c(C)cc1N	306072740	XHJBUKXDKQZSRG-AWEZNQCLSA-N	248.414	4.514	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CCC1CCCC1	308031677	OUILNWPUYHRJCI-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@H](CC)CC(C)C	308095875	MJFSPTQLCDKTNK-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2CCC[C@@H](C)C2)c1	310151933	PHVNETHGSPKZJP-IUODEOHRSA-N	232.367	4.509	0	10	BJAE	
Cc1cccc2c1ccn2C[C@H]1CCC[C@H](C)C1	310813429	ANXOSLHISYSPSP-ZFWWWQNUSA-N	241.378	4.776	0	10	BJAE	
CC[C@@H](NCC1CCCCC1)c1cccc(C)c1	310958115	SUHLUYZNMCOHAB-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCCCC[C@@]1(CNC(C)C)CCC[C@H](C)C1	317670833	VVWBLZGMPKPQPE-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CC[C@]1(CNC(C)C)CCCC[C@@H]1C	317970359	TYDDLLCTUXSFIK-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@]1(CNCC(C)C)CC[C@H](CC)C1	318005696	IEYYSIPPTGQKRX-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C(C(C)C)C(C)C)[C@H](C)C(C)C	319307676	JMXCBNMFMSMPMB-GDBMZVCRSA-N	241.463	4.575	0	10	BJAE	
CCC[C@](O)(c1ccccc1C(C)C)C1CCC1	322475277	QKUJDPWFIPINFP-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC(C)/C(=C\[C@H](C)C1CCCCC1)CNC1CC1	381227200	HLDGINMLLSTDAM-HNDQUVLASA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)NCC[C@@H](C)CCC=C(C)C	381548917	LSMWDRXMHYIGNZ-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC(C)(C)C1	383239084	UXJMWBRZPZTLJW-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)[C@@H](C)C(C)C	386396159	WCAPDRBZDUUBIK-WMLDXEAASA-N	247.426	4.753	0	10	BJAE	
Cc1cccc([C@@H](O)C[C@@H](C)C2CCCCC2)c1	386515887	MXDGTZFUJGJCNP-PBHICJAKSA-N	246.394	4.635	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1C[C@H]1CC(C)C	387667064	IXKYNXTZFLWWNN-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NCC(C)(C)CC)c1cccs1	394604922	OWALJUMECHPISU-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
c1cc(NCCCC2CCCCC2)cs1	395168671	YNPRVHCQMXCYNR-UHFFFAOYSA-N	223.385	4.521	0	10	BJAE	
COc1csc2c(Cl)cc(C(F)F)cc12	396289476	KPURDOQTQBSOSR-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
Cc1sc(-c2ccccc2)nc1[C@H]1CC1(C)C	397681381	MBKVZTSOVPTKCA-GFCCVEGCSA-N	243.375	4.632	0	10	BJAE	
C[C@@H](Cn1ccc2cccc(Cl)c21)C1CCC1	398602537	BMXIBCOQZZHUBY-NSHDSACASA-N	247.769	4.731	0	10	BJAE	
CC(C)(CC[C@]1(O)CCCCC1(C)C)C1CC1	406049333	GBZWAEUVSRIOLX-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(C2CC2)cc1	690169451	NLLPXAIIVYMWIQ-GFCCVEGCSA-N	217.356	4.555	0	10	BJAE	
CCCC[C@](N)(CC)C1CCC(CC)CC1	690440158	JXBLCWOFMAYXDI-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCCCC[C@H]1C	691079885	MTUYOROMRTVAGS-RISCZKNCSA-N	235.346	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](CCC1=CCCCC1)NC	696162992	GJQPGHRSCXZXGL-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@@]1(C)CC1(C)C	702179279	BFXASCDOCNYVTB-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)C[C@@H](C)c2ccccc21	704518082	YBQDCXROLQMPKK-DYVFJYSZSA-N	245.410	4.564	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)CC1CCCCC1	704944066	WCOQBKRXKBSVLT-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@@H]2CCCC23CC3)CC1	706288506	HUSFGCFCPOZQJS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](N[C@@H](C)C1(C)CC1)c1ccccc1	706890034	ZJNHIZMPQLKJAV-HOCLYGCPSA-N	245.410	4.696	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)[C@H](C)CC(C)(C)C	708254703	MQBAQRISJVEJBO-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C/C(=C/CCNC1CC1)C[C@H](C)CC(C)(C)C	709085570	ODDBSOSBARSIPK-LVOZBFFPSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H](C)CC(C)(C)C	709233150	DQTUZSUKXKOOOY-STQMWFEESA-N	226.404	4.700	0	10	BJAE	
C[C@@H](C[C@H](CN)C1CCCCC1)CC(C)(C)C	709244898	RHLWQIZTPREMIR-DZGCQCFKSA-N	239.447	4.604	0	10	BJAE	
CCN[C@@H](CC1CCCC1)CC(C)(C)C(C)C	713158434	FZZVHTDQIPFSAT-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc2c1ccn2CC(C)(C)C(C)C	713235216	GOBNSNJDFTVQOH-UHFFFAOYSA-N	229.367	4.632	0	10	BJAE	
C=C/C=C\CCC(=O)c1ccccc1C(C)(C)C	713678000	LKZDCAGFVBYUNR-SREVYHEPSA-N	242.362	4.689	0	10	BJAE	
O=C(CC1CCCCC1)c1ccc(C2CC2)s1	716617006	LWBZXMMYIKQQBA-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CCC(C)=C(C)C	718757928	QOSSMRWYBKWHSW-AWEZNQCLSA-N	226.404	4.700	0	10	BJAE	
CCCCN(CCC=C(C)C)C1CCCCC1	1194674337	FWUYJAWMMOXZIN-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CCC[C@H](C)N(C)[C@@H](C)c1ccccc1Cl	1257324185	KCYFQOULNFUDMC-RYUDHWBXSA-N	239.790	4.521	0	10	BJAE	
CCCNCCC=C(C)c1ccc(C(C)C)cc1	1876996515	MFLIOOBMKVOBKI-UHFFFAOYSA-N	245.410	4.603	0	10	BJAE	
Cc1cc(-c2cc3sccc3s2)cs1	1889519791	UZLVZRTTYUMMBI-UHFFFAOYSA-N	236.386	5.000	0	10	BJAE	
CCC(CC)CCC(=O)[C@H](C)CC(C)(C)C	1900698926	XBDQSZMQGXYSRM-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@H](C)[C@H](C)C1	1902381730	QQPPOXQQZSPWDD-DMDPSCGWSA-N	237.412	4.547	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCCCC[C@@H]1N	1905444354	LVQRAUGJEZVLMC-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCC[C@@H]1C[C@@H]1C	1908594476	QMJKCUQEAOCKBG-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN(C)[C@@H](CC)CCC(C)C	1910870369	VSSVXWAJBCZVSQ-PMPSAXMXSA-N	239.447	4.569	0	10	BJAE	
CCCC(O)(CCC)CCC=Cc1ccccc1	1911822432	JXMUEKGFVHYGGN-UHFFFAOYSA-N	246.394	4.811	0	10	BJAE	
C=CC=CCC[C@]1(O)CCC[C@@H](CCC)CC1	1911973996	JTWRNJHHOURPOL-CVEARBPZSA-N	236.399	4.620	0	10	BJAE	
CC(=CCCNC(C)C)C[C@@H](C)CC(C)(C)C	1912070062	MVDVHJXLACEDQX-OAHLLOKOSA-N	239.447	4.783	0	10	BJAE	
CC=CC[C@@]1(CNC(C)(C)C)CCCC[C@@H]1C	1912085016	GRPNGGQMVBKEHF-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@@H]1CCCCCCCC[C@H]1NC	1913391263	JHTJCZYUEVEGCV-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@@H](C)Cc2nc3ccccc3c(Cl)c21	1916087460	RUWFEICBZFYRNV-ZJUUUORDSA-N	245.753	4.574	0	10	BJAE	
CCNC[C@]1(CC2CCC(C)CC2)C=CCCC1	1916561830	CMTQPQTXKLRWFM-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1CCC[C@@H](C)C1	1919522254	HOMCAQSHQFOUGC-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCCc1ccc([C@](C)(O)[C@H](C)[C@@H](C)CC)cc1	1920026706	VAXYZHWKIYDQOY-JJRVBVJISA-N	248.410	4.529	0	10	BJAE	
CCCc1ccc([C@](N)(CC)C[C@H](C)CC)cc1	1920196321	ICYMHNCRLMLCCV-PBHICJAKSA-N	247.426	4.639	0	10	BJAE	
CCCC1CC([C@H](O)C[C@@H](C)CC(C)(C)C)C1	1921189228	OMYPWTUXIPMXLC-XSCHDIRWSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)C1CC(CC)C1	1921279651	GVPGMQXFAAGBBP-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1CCCC12CCC2	1921587349	VREPGUPXWIVPQF-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1C=CCCCC1	1925909091	AHZMIQNTQRIEJQ-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](CCC[C@H]1CC1(C)C)C(CC)CC	1940873503	RBPHASDBVHVFFX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](CCC1=CCCCC1)NC	1941262823	JMCTYGIBYKCKLM-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CCC)NCCCCCC1CC1	1941580899	FGHVXYBKACWKCF-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)CCCCCC1CC1	1941587106	PILXJONXHSLEPU-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@](N)(CCCCCC2CC2)C[C@H]1C	1941590451	BNLRLSZUDOXXNC-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C)(C(=O)c2ccc(C3CC3)s2)C1	1941982159	OORDKABTZORDQW-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)[C@H](C)CCC(C)C	1942658464	PPKZHRLKFXIDKA-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CCC[C@@H](C(C)C)C1	1942658961	IETLNZSIWSESEE-ARFHVFGLSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H](C)CCC(C)C	1942661529	MJGGPFVVZXPGJO-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)[C@@H]1CCC1(C)C	1945753085	DICHSLIBOPJQKT-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC(C)C)c1cccc2sccc12	1945971302	YRSHQMMDMBANMS-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CCN[C@H](CCC(F)(F)CC)CC(C)(C)CC	1948001454	RDTPQTRVVJKCRG-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCCCC[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948584326	DBWYUYZNKGMJPB-XHSDSOJGSA-N	237.431	4.645	0	10	BJAE	
CCC1CCC([C@H]2CCC(C)(C)C(=O)C2)CC1	1949655559	GITISJHJWYXSOE-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(CO)CCC[C@@H](C)CC1	1950908285	LZKJCVKJMCICDC-PMPSAXMXSA-N	240.431	4.638	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@@H]1CCC[C@H](C)CC1	1950921623	HHNVRDGNBBQHRA-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC(=CBr)[C@H]1CCCC(C)(C)C1	1953420604	SZOSXHFBLLVDNR-JTQLQIEISA-N	231.177	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2C[C@H]3CC[C@H](C3)C2)CC1	1965905170	VDSBNMLZTMUFDE-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1CC(Nc2ccc(Cl)cc2)C1	1968265126	FHTTYDRAIKSAFT-UHFFFAOYSA-N	237.774	4.577	0	10	BJAE	
CCc1ccccc1N[C@H]1CCCC2(CCC2)C1	1968359737	GHYRFEIXEJUJBK-HNNXBMFYSA-N	243.394	4.774	0	10	BJAE	
CCC[C@@H](C)N[C@H](c1ccccc1)C1CCCC1	1969086018	FJXVYCMVLKMFAJ-RHSMWYFYSA-N	245.410	4.696	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H]2CCC3(CCC3)C2)C1	1969303274	MLLARKSHZKQHSF-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(CNc2cccc(C)c2F)CC1	1969470060	JMSNQZQCWKIZHJ-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H]1CCCC2(CCC2)C1	1970505643	SSDKPHKEWIPNAP-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC(C)CN(C[C@H](C)C1CCC1)c1ccccc1	1970692681	UFGVFFJWCOSYJU-HNNXBMFYSA-N	245.410	4.585	0	10	BJAE	
CC(C)=C(C)CCC1CC(C2CCC2)C1	1974910863	IVBIWIIVTFXXJH-UHFFFAOYSA-N	206.373	4.949	0	10	BJAE	
Cc1cccc(C)c1N[C@H](C)CCC(C)C	1975470891	QBESAJDGECPKRG-CQSZACIVSA-N	219.372	4.540	0	10	BJAE	
CCCC[C@](CC)(CN)CCC(C)=C(C)C	1978626098	JIWZGXGYELZNCF-HNNXBMFYSA-N	225.420	4.668	0	10	BJAE	
CCCC[C@@](CC)(CC=CCl)CNCCC	1978639318	UIGIKNBYUZDPHE-AWEZNQCLSA-N	245.838	4.715	0	10	BJAE	
C/C=C/CCCC(=O)[C@H](C)C1CCCCC1	1984571641	WNQFHKXGSSACHT-ITDFMYJTSA-N	222.372	4.518	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cc(C)ccc1Cl	1989819765	VXJKUZRMQDLTKF-LLVKDONJSA-N	239.790	4.885	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)[C@H](C)CCC(C)C	1990904794	XQZWZBKURBHEDX-ZIAGYGMSSA-N	227.436	4.568	0	10	BJAE	
CCCCCCN(C)CCCCCC(C)C	1991244492	UCAZRRCWVOJVDA-UHFFFAOYSA-N	227.436	4.715	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cccc(C)c1Cl	1994204887	SVVOVXNYLIDFLF-FZMZJTMJSA-N	240.774	4.508	0	10	BJAE	
CC[C@H](C)Cc1csc([C@H]2CC[C@@H](C)C2)n1	1995460673	BLGWBXGDPGRTID-TUAOUCFPSA-N	237.412	4.635	0	10	BJAE	
CC(C)(C)C1CC(C(=O)CC2CCCCC2)C1	1998234444	ILVJKNMHEKVFPN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CC(C(C)(C)C)C1	1998234537	JVFVXULTEYEQDR-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)C1CC(C)(C)C1	1998648919	GASJWWIXJNDTSD-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCC=CCCC2)cs1	1999979817	VMNMRWBDTFRRSA-CYBMUJFWSA-N	248.391	4.766	0	10	BJAE	
C[C@H]([C@@H](N)C[C@@H]1CCC=CCCC1)C(C)(C)C	1999994132	RHHAEMGTYYKVEY-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@@H]1C[C@@H]1CC	2000368778	UTOSWDOVYFOVST-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@H]1CCC1(C)C	2000524482	YXXCBLXLMVAENW-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CN(C1CCCCC1)[C@H]1CCCC(C)(C)CC1	2000896345	JIVYPTPOBSKITE-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CCCCN(C[C@@H]1C=CCCCC1)[C@@H](C)CC	2000906258	HWEMYBUTOZWRCW-JKSUJKDBSA-N	237.431	4.633	0	10	BJAE	
CCN[C@@H](CC)[C@@H]1CCCCC12CCCCC2	2001579121	SQQIGGGTQNKOMT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)C)CC1(C)CCCC1	2003179318	NBOFNJMVEBOFNU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CCC(O)(CCCC2CCC2)CC1	2004338984	JWOYYVIGPAQZAD-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCC[C@]1(CO)CCCCC12CCC2	2005578928	FEWUYQNLRJUJOH-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCC[C@@](O)(CC1CC(C(C)C)C1)C(C)(C)C	2007752103	POLAIZOVVOGLBD-ZBCRRDGASA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(CCC2(C)CC2)CC1	2009545193	XJUZBEIWRDXDAV-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@]1(O)CCC[C@@H](CC(C)C)C1	2009593242	MSZHUBFNLRMQJC-SWJNODNISA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCCN[C@@H]1CCC[C@@H](CCC)CC1	2009598804	RZRWQQYUHRHVJS-BYQDXSGLSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](CC)CC1)C(C)(C)CC	2010713535	DYDBPEKUCIBHSC-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
Clc1cccc(NCC2C[C@@H]3CCC[C@H]3C2)c1	2011970908	RBZBYHYPVGDBTA-STQMWFEESA-N	249.785	4.578	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)C1CC2(CC2)C1	2012414376	XOMYMSZHZNLOST-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC[C@](CNC(C)C)(C(C)C)[C@@H](C)CC(C)C	2012416697	MTYYJGPWHVXHAU-HOTGVXAUSA-N	241.463	4.719	0	10	BJAE	
CC[C@@](CNC(C)(C)C)(CC1CCC1)C(C)C	2012440031	MOQKJMLZCUJLGD-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC12CCC(CC1)CC2)NC	2012814789	YQJOEGQFQLUFTQ-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
C[C@H](NCCCC1CCCC1)C1(C)CCCC1	2014339945	OPPKTFBGINBUCL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H]3C[C@@H]2C3)cc1Cl	2015647944	LZFXZFPQTCSLHA-IFUGULHKSA-N	249.785	4.503	0	10	BJAE	
C[C@H](Nc1cccc2ccsc12)C1CC=CC1	2016345894	RQQXLLVJMWIUGQ-NSHDSACASA-N	243.375	4.668	0	10	BJAE	
CC(C)C1(CC(=O)[C@]2(C)CC=CCC2)CCC1	2017123230	KUXKQZDUBGRJCO-OAHLLOKOSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CCCC[C@@H]1C	2017487196	PZANSSHVIXVFGM-CWRNSKLLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)CC2CCC2)CC1	2017722150	DPRLVMALSGMSQF-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@H](C)[C@@H](C)NC(C)C)CC1	2017723251	SROOJHOSDSJQME-WXLSXGNJSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@](C)(CNCCC)CC1(CC)CC1	2018972685	FMVAIZUQQBKDTB-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCCC1(C[C@H](O)[C@H](C)C2CCCCC2)CC1	2018975920	URQZZEOZZDSCAP-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@](C)(N)CC2CCCCC2)CC1	2018977413	WHBXQHATJBUVPG-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@]2(N)C[C@H](C)CC(C)(C)C2)CC1	2019003485	YOXAAEUHWHEYKW-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(N(CC(C)C)CC(C)C)CC1	2019164747	USBXYOJQDCVOQX-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCC12CCCCCC2	2019415975	SPNLFPPDZXOQEY-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CCc1ccc(N[C@H]2CCC3(CC3)C2)cc1Cl	2021771459	OMHMHTHPUQKDQM-ZDUSSCGKSA-N	249.785	4.647	0	10	BJAE	
CC(C)=CCC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2022417279	KZKHTVRCZQWCLG-HUUCEWRRSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](C(=O)CCCCC(C)(F)F)C1CCCC1	2023341942	KPBZFEBDZBAMCS-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](C)Cc1csc(-c2ccccc2C)n1	2026530995	ISFYSFIHRCKGQH-NSHDSACASA-N	245.391	4.707	0	10	BJAE	
CC(C)(C)C1CCC(N[C@@]23CCCC[C@@H]2C3)CC1	2026961551	RQVMZPUFIJQSIB-CLKYRPBMSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@@H]1CC2CCC1CC2)c1cccc(N)c1	2027955507	CJTRJLOFLJZXIU-UWLZSVRSSA-N	243.394	4.589	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)C(C)(C)C1CC1	2028102043	WGCNQOLXSNBBMX-MRXNPFEDSA-N	245.410	4.507	0	10	BJAE	
N[C@@H](CCC1CCCC1)c1ccccc1C1CC1	2028560387	PTDBZDAVUWVATR-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](N)CC1CCC=CCC1	2028872867	OCCYWHDHVIXZQY-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CCCCC12CCCC2	2032505602	JCZKAAMETIOLPV-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C1CCCC(CN[C@@H]2CC[C@H]3CC[C@H]2C3)CCC1	2035045931	FPQMGTGUUSRQSZ-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C)cc1	2035401003	SKAMKCMOKFWQQO-DJIMGWMZSA-N	245.410	4.614	0	10	BJAE	
CCC[C@H]1CCC[C@H]1N[C@H](C)c1cccc(C)c1	2035422993	LYRVFEZAEWHRHW-HLLBOEOZSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@]1(N)CCCCC12CCC2	2035926903	RQBSLHYXPHFMJE-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC1(CN2CCC[C@@]3(C)CCC[C@@H]23)CCCCC1	2036774632	WOVWDUPQFOPYSJ-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)c2c(C)cccc2C)C1	2037053132	LJSDXFKESOJJJY-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)C[C@@H]1C=CCCCC1	2037273376	RDYKDEJYVQREPB-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(N)C[C@H]1C=CCCC1	2037304843	JKVAHEKKWFOJNA-YYIAUSFCSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CC2CC3(CCC3)C2)C[C@H]1C	2037976711	NYFCUGHDVGPVJF-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)[C@H]1CC12CCCCC2	2039090974	GOQRPBHWDGIQDE-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(N)CC3(CC(C)(C)C3)C2)C1	2039461369	DJZOURHYTZKSPQ-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)c1cc2cc(C)ccc2o1	2040720595	CRUVRWKBSBVLRP-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
CC1(C)C[C@@H]1C[C@]1(N)CCCC2(CCCCC2)C1	2040764469	COZVEWJXTWGDOA-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCC=CCCC2)=C[C@H](O)C1	2045347036	YXLFGUKGYIKTDJ-ZBFHGGJFSA-N	248.410	4.620	0	10	BJAE	
CCC(CC)(CC)C(=O)CCCc1ccccc1	2045607931	AWAXDXZJNNFQDK-UHFFFAOYSA-N	246.394	4.795	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)c1ccc(C)c(C)c1	2045729581	GFFFPURUJCOUOJ-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC1CC([C@H](C)NC2CC3(CCCCCC3)C2)C1	2046230613	VBXOJAHSBBLENU-SLTAFYQDSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@@H]1CC12CCCCC2	2047063127	UBRBAHNLCJKEEA-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCCc1ccccc1NCC1(F)CCCCC1	2047242672	DGOKQGVQXROJGB-UHFFFAOYSA-N	249.373	4.723	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H]1CCC12CCC2	2047929894	UKNJNLJVYGZJAE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@H]1CCC12CCC2)C1CCCCC1	2047939058	KQNCODGKAJCODO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(NC[C@@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2048444725	IHZXBVCOCFAXKY-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCC1	2048466353	WVSPVEZVMKWMQG-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
CC1(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048473031	JKNXYFJMSBWFRQ-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)CC1(C)CCCC1	2049789302	VMEWFCYRVSETMZ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2C=CCCCC2)CC1	2051616274	JTDQTWBEQPSNKP-GTPINHCMSA-N	249.442	4.811	0	10	BJAE	
C1CCCC(CCN[C@@H]2CCC[C@H]3CC[C@@H]32)CC1	2052281221	ROFHWUJJWRBDOH-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)[C@H]1CCCCC12CC2	2053419784	HLBVVNNTIHIJKH-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(C)([C@@H](N)C[C@H]2C=CCCCC2)CC1	2056557371	SWILCDYZDAUSKJ-YZUHTNEWSA-N	249.442	4.667	0	10	BJAE	
CC=C(C)[C@H](NCCC)c1cccc(C2CC2)c1	2056782054	JNZNNKAGPCQIIL-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC=CCCC[C@@H](C[C@H](C)c1ccccc1)NC	2059258915	KNSUYLLFPHQEME-RDJZCZTQSA-N	245.410	4.515	0	10	BJAE	
CCCCCC1CC(Nc2cc(C)ccc2F)C1	2059396914	FWBRMSFCHGZWHK-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C1=CCC(C)(C)CC1	2061089494	UBDNPLJNGJQAEY-MRXNPFEDSA-N	247.426	4.601	0	10	BJAE	
CC1=C(C)[C@](N)(C2=CC[C@H](C(C)C)CC2)CCC1	2061117119	WLSZSPYADXYOKK-RDJZCZTQSA-N	247.426	4.587	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC[C@@]12CCC[C@H]1C2	2061621639	HEGXXWVUTQDDCO-UAGQMJEPSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CCC[C@H]1C[C@H]1C	2062620180	MFDGSCKPTRPSQS-JKIFEVAISA-N	245.410	4.636	0	10	BJAE	
Cc1cc(C)c(C(=O)CCC[C@@H]2C[C@H]2C)cc1C	2062630298	KXBDFTZNXJCVSP-UKRRQHHQSA-N	244.378	4.621	0	10	BJAE	
CCc1ccc(N[C@@H](C)[C@@H]2CCC2(C)C)cc1C	2068286188	DHMGRLNTDHHFDV-BBRMVZONSA-N	245.410	4.794	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2C[C@@H]3CC[C@@H]3C2)cc1	2068759167	WCQIRHQKPQEAQD-RBVVOMGSSA-N	243.394	4.658	0	10	BJAE	
CCCC1(CN(C)[C@H]2CCC23CCCC3)CCC1	2069285705	VPIZEIIDFWOFCN-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc([C@@H](N)CC2(C(C)(C)C)CCC2)cc1	2071942798	HOLGBXBQCDEPRN-HNNXBMFYSA-N	245.410	4.601	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@@]12CCCC[C@H]1C2	2074027260	ZMJYARMQHRRNDR-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)C[C@@]1(C)C=CCCC1	2074905122	FWVVWGJVVFPYGG-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
C[C@]12CC[C@@H](Nc3ccccc3C3CCC3)[C@H]1C2	2077264861	CIVPWYLZKQTZKZ-DJIMGWMZSA-N	241.378	4.555	0	10	BJAE	
Cc1cc(C)c(-c2cc(Cl)cs2)cc1C	2080278179	VTTVFIUIVZURII-UHFFFAOYSA-N	236.767	4.994	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)cc1	2081141206	ORFKSGOXTVFOTI-BHYGNILZSA-N	243.394	4.766	0	10	BJAE	
CCc1ccccc1[C@@](C)(O)CCC(C)=C(C)C	2081209794	UNEGMCRGGQAHDH-KRWDZBQOSA-N	246.394	4.593	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)C=C2CCCCC2)c1	2082923091	SFNJNUNLZLKXIO-QGZVFWFLSA-N	243.394	4.502	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1C2(CCC2)C12CCC2	2083533867	RAKGPAGTHXOJGI-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC)CCC1CC2(C1)CC1(CCC1)C2	2083615069	HLSOKPCBOCFWIH-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC1CC2(C1)CC1(CCC1)C2)NCC	2083615444	LPJRZACBWIHNCE-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CC(CC)C1)C1=CCCCCC1	2084988999	MUVNLOWNERZDQJ-DQPZFDDXSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1(C)CC(C)(C)C1	2211653492	AHHNWCRTLLKOOU-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](N)CC[C@H]1C[C@H]2CCC[C@H](C2)C1	2213297334	OKPCPDQLHWMLJX-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@]1(C)CC=C(C)CC1	2215811952	GNXPHEMZIZDCKQ-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC1(CC(=O)[C@]2(C)CC=C(C)CC2)CCC1	2215823598	KQZLBZKUVCIBNL-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@H]([C@@H]1CC[C@H](C)C1)C(C)(C)CCC	2216286232	SIDGJQCUKDLJSK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C)CCCCCCCCC1CC1	2216876574	FAIUCGFPEIZJHX-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCC[C@H](C(=O)CC=Cc1ccccc1)C(C)C	2219086894	GOCDFXYEFHRXPT-INIZCTEOSA-N	244.378	4.731	0	10	BJAE	
CC[C@H](C(=O)CC[C@H]1C[C@@H]1CC)c1ccccc1	2220964373	WTEPVQRXKLCMSZ-BPUTZDHNSA-N	244.378	4.576	0	10	BJAE	
Cc1cccc(C(=O)CCC2(C)CC(C)(C)C2)c1	2221075831	KQVBXVIKMKGXTC-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@H](N)CC1(C)CC(C)(C)C1	2221082399	AGRMQUXYONZWNJ-RBSFLKMASA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@@]1(C)CC=C(C)CC1	2221634218	YAWALXHQDNYDRZ-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H](C)CC2CCCC2)CC1	2221638898	VPIZHGJDZZBGQI-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@@H]2CCCCC2(C)C)CC1	2221643065	LTYARRHEAWJQLJ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C[C@]1(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC(=O)C1	2222970012	ASSXSWCZDGYGKI-PNBKFKSVSA-N	248.410	4.742	0	10	BJAE	
CC1=C[C@](N)(CCCCCCCC2CC2)CCC1	2223108130	INJGTIKZPWHWMJ-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC[C@H](C)C[C@H](CN[C@@H](C)CC)c1ccccc1	2223550250	WBSMVHIKRJZMJI-YQQAZPJKSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H](C)C[C@]1(CNC2CCC2)CCCC12CC2	2223574066	UINGBAOTTNZWTK-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CC2(CNC3CCC3)CC2)CC1	2223598752	VDNJXLSHCFVLLM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1ccc2occc2c1	2224126789	BJIUUKFFOSHXOM-LRDDRELGSA-N	246.350	4.683	0	10	BJAE	
CCCCC[C@H](N)CCCCC[C@H]1C[C@H]1C	2243903673	VQZLLGCFUOSFRY-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCCC1CC(O)(CC[C@@H]2CCC[C@@H](C)C2)C1	2246695459	UKMDBZNHPQFKLK-QVOMUQBLSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(CCCCC[C@@H]1C[C@H]1C)C1CCC1	2248877454	GBAKGEXVBLBIRR-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC(C)(C)C1CC1)NC	2250358396	MDNUVFCUZAZDEL-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CC)[C@H](CC)CCC	2250361783	PWHHQQQREFGKDM-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC[C@H](N)C1	2250468425	CYQJYQTZHXBJIG-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CC1CC(CC[C@H](N)C(C)(C)C)C1	2251502676	OGKMBHMKKGTZCZ-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CC1CC(C[C@H](O)CC(C)(C)C)C1	2251536759	UCKRTKHSQWQMCH-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H]1[C@@H](CCCCCC(C)C)CCC1(C)C	2251724638	YYTXPBRJYSVXGI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN(c1ccc(F)cc1)[C@H]1CCCC(C)(C)C1	2253416934	SLFFMOCIZBRSER-HNNXBMFYSA-N	249.373	4.621	0	10	BJAE	
CC1CC(C)(CC(=O)c2ccccc2C(C)C)C1	2253678120	DNEHZWUYRKAJKB-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CCCCN1CC[C@@H]1CCCCC12CC2	2253858579	WAHGPGFFURPULM-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC[C@H](NCC[C@H]2CCCCC23CC3)C1	2253894326	LBJWGQCQZUYUIT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(N)CC3(C2)CC3(C)C)C1	2253953137	YYFFSACBFDZKCX-QBBMROGASA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(C(=O)CC2CC3(CCCC3)C2)CC=CCC1	2254115491	PCTKXZGYBCVGPR-MRXNPFEDSA-N	246.394	4.662	0	10	BJAE	
Cc1cccc([C@H](O)CCCC[C@@H]2C[C@H]2C)c1C	2254577650	ALGRDQVFJRTHKN-FRFSOERESA-N	246.394	4.553	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CCCC2)CCC12CCC2	2254844964	AYQBHOVMDYKKTD-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCCC12CC2)C1(C)CCCC1	2255290818	JTPUSSGOROFWPA-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(NC(C2CC2)C2CC2)c1	2257907209	JPDZIUPJJYERCX-UHFFFAOYSA-N	243.394	4.585	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(C)c(OCC)c1	2259463382	MMQWLIODLMHWIY-AWEZNQCLSA-N	249.398	4.632	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@@]12C=C[C@@H](CC1)C2	2259635026	CHGJVBGNKRCLBQ-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@]23CCC[C@H]2CC3)C1	2260657597	JRHCYZLIXMEJNO-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CCCNC2(C)C)C1	2261294976	CFPODJXKQBHDPO-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CC1)C1(O)CCCCCCCCC1	2298847810	HAJSDAQBCYYDGF-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC1CCC1)[C@H](C)CCC	2298850169	NGIOOKQPMCRTEQ-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@]1(CCC(CC)CC)C=CCCC1	2300682891	DGZNBLQAWIXUDX-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(=CC[C@@]1(N)C=CCCC1)CCCC(C)C	2300892819	JCJDTYZITDEFSY-MRXNPFEDSA-N	235.415	4.587	0	10	BJAE	
CC1([C@H](O)CC2CCCCCC2)CCCCC1	2301202163	SOCAGRKGWZJPIY-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)CC1CCCCCC1	2301958395	KJSNIDOFUPMFAA-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CCCCC1CC1	2302574673	PGAOWIFEEQTZEK-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCCNC[C@@](C)(CC)C[C@H]1CCC(C)(C)C1	2302710796	UAAAUIJFCLVVOJ-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303470170	IHVWHBLLYYCLCY-XQLPTFJDSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)CCCC2CC2)C1	2304437094	PHILXGMUCRTRNR-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2nc([C@H]3C[C@H]3C)cs2)C1	2307687643	KHODJYKZLHQOKW-NDBYEHHHSA-N	249.423	4.950	0	10	BJAE	
CCC[C@@H](CC)CC1(CNC(C)(C)C)CCC1	2307747486	PMPYOQBKTZFVIV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CC1(O)C2CCCC1CCC2	2307831077	HWRHEVKJDHTFGL-CUUNVARJSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CO)CCCCC1(C)C	2307870807	ANMJCTKPEPYSRD-GOEBONIOSA-N	240.431	4.782	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC(C)(C)C1CC1)NC	2307894346	RDOFOXGHCFQFGM-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@]12CCCC[C@@H]1CC2	2307898902	NUZBRFVGNNFCRZ-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(C)(C)[C@H]1NCC	2307899255	BGTRTDKSZSLEGL-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CN(CC)c1cccc(C)c1	2307906649	HCLHUUOHUVFMSE-HNNXBMFYSA-N	233.399	4.648	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@@H]1CCC[C@H]1C(C)C	2309895893	RRRVWPSSTBHWNG-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@H]1CC[C@@H]2C[C@H]12	2312599141	AEJNQSMLAZDURF-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCCCN1C(CC1CC1)CC1CC1	2313599089	WXMHMMBRXUKWLQ-CQSZACIVSA-N	249.442	4.610	0	10	BJAE	
CCC(CC)CC[C@H](N)C[C@@H](C)c1ccccc1	2316236355	ULAXGBPKLNBGHF-PBHICJAKSA-N	247.426	4.724	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC2CC2)CC[C@@H](CC)C1	2316492740	UVKDYUJZHLFDHC-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CN(CC1CCCCCC1)[C@H]1CCC2(CCC2)C1	2316869011	CRQMRHGSCHWZJW-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCCC1(CN[C@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2317022777	VNONSYUSXUFFCU-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCCNc1cc(C)cc(C2CCC(C)CC2)n1	2317091397	XPTMJONEIDCUHQ-UHFFFAOYSA-N	246.398	4.506	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@@H](C)[C@H](C)C(C)C)cc1	2317825168	WBOTZYVGODDDJI-KEYYUXOJSA-N	247.426	4.738	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@H](C)[C@H](C)C(C)C	2317828003	OZVPBKNEIYLAJG-CKEIUWERSA-N	247.426	4.738	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCCC[C@H]1C	2317914772	GHOUQTACKJJIBH-IUODEOHRSA-N	249.373	4.940	0	10	BJAE	
C1=C(CCCN2CCCC3(CC2)CC3)CCCC1	2318593769	YHRFHAVRIOLKHM-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@H]2C[C@H]21)C1CCCCCC1	2319339508	HHFVCVBQPOPHFW-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](O)c2cccc(C)c2)CC1	2320327888	BYHKXSWYESQAFR-NVXWUHKLSA-N	244.378	4.555	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@H](C)C1CC1	2320388916	VMGZYEARCJEJAM-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](COc2cc(C)ccc2F)CC1	2320389125	XKVXHMDLKHCFNN-CQSZACIVSA-N	248.341	4.649	0	10	BJAE	
CCNC[C@@]1([C@@H]2CCC2(C)C)CCC(C)=C(C)C1	2320398989	UIWFCMMUYUSNBC-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H]2CCC(C)(C)C(=O)C2)CC1	2320408313	JGBDFJHPIPABSW-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@H]2C[C@H]2C(C)C)c1	2320576002	JNBUVNHZJGLRHT-HOTGVXAUSA-N	244.378	4.675	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)Cc1cccc(C(C)C)c1	2320623690	OZUMQICBANRVBX-YOEHRIQHSA-N	247.426	4.506	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@@H]2CCC3(CCC3)C2)C1	2321528890	WXPNXHXOKRCRQB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C=C=CC[C@@H](CC[C@H]1CCC(C)(C)C1)NCCC	2321608634	QWGYJAQRVQXXTE-HOTGVXAUSA-N	249.442	4.692	0	10	BJAE	
CC1CC2(C1)CC(N)(CC[C@@H]1CCC(C)(C)C1)C2	2321633135	JLYWJYAQSTYWEC-ZFBLFJJNSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(N[C@H](C)c2ccc(C)o2)cc1	19232356	WXSVTQWUSYYROK-CYBMUJFWSA-N	243.350	4.714	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCCC[C@H]2C)cc1	19233043	XZTQXHXUNPYHHN-CZUORRHYSA-N	231.383	4.630	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1ccccc1C(F)(F)F	21801378	KJAIMHHLGPPFKM-UWVGGRQHSA-N	245.288	4.552	0	10	BJAE	
CCN[C@@H](c1ccc([C@@H](C)CC)cc1)[C@@H](C)CC	35544220	QJMJSCNEIIAORW-GRDNDAEWSA-N	247.426	4.897	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)c1ccc(CC)cc1	36792261	GDJHOWZFMGHLAL-LSDHHAIUSA-N	247.426	4.868	0	10	BJAE	
CCCCC[C@@H](C)NC(CCC)CCC	36792270	OXRMHIUXXSOHPE-CYBMUJFWSA-N	213.409	4.514	0	10	BJAE	
Cc1cc(C)c([C@@H](C)N[C@@H](C)CC(C)C)cc1C	37260625	LHLCPVFJYHWIKC-JKSUJKDBSA-N	247.426	4.697	0	10	BJAE	
C[C@H](N)c1cccc(-c2ccc3ccccc3c2)c1	38071110	KBXAPJGKEICMNP-ZDUSSCGKSA-N	247.341	4.527	0	10	BJAE	
CC(C)c1ccc(NCCc2ccsc2)cc1	70246047	DIZZPOBTLRWXBP-UHFFFAOYSA-N	245.391	4.526	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2cccc(Cl)c2)CC1	83427103	WFYLYMMECNWHRI-WCQYABFASA-N	237.774	4.721	0	10	BJAE	
CCCCCC(=O)C1CCC(C(C)C)CC1	83780263	CHXCLMUEPYAKRJ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1-c1ccc(C=O)cc1	84051791	WUNOZKASQDIERB-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](c2ccc(C3CCCCC3)cc2)N1	84071193	FXTXJGKLMHAANJ-CXAGYDPISA-N	243.394	4.547	0	10	BJAE	
CCC1CCC([C@@]2(N)CCC[C@@H](CC)C2)CC1	85078579	ZYELESITSMYKFW-GYTBAZASSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](Nc2ccccc2)CC1	86921989	YRGJSBDYLCIZPN-HOCLYGCPSA-N	231.383	4.703	0	10	BJAE	
CCCCCC[C@]1(O)CCC[C@H](C(C)C)CC1	87187595	DIAJIBVFIZWEMT-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNC2CCCCCCC2)C1	89586746	SFPBBLWCJOXVBT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc([C@H](CNC(C)(C)C)CC(C)C)c1	93126496	KUEULNNQEICGKK-INIZCTEOSA-N	247.426	4.513	0	10	BJAE	
CC(C)[C@H](N[C@@H]1CCCC1(C)C)c1ccccc1	94305026	CDZKYBHKXFBFLM-CVEARBPZSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1CCC(C)CC1	109736801	OQJGNLBWOBTPGL-BHDPWAOGSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC/C1=C1\CCc2cc(N)ccc21	124758485	MWTGITXAGYYHNL-UWENYHRYSA-N	241.378	4.569	0	10	BJAE	
CCCCCC[C@@H](C[C@@H](C)C(C)(C)C)NC	124873863	JMEMQRAPVGZMGT-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
Cc1cc2c(Cl)ccc(Cl)c2s1	146469820	BQUWGTCEDHMBRB-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1C1CCCCCC1	149208593	AWOLVXBDFSISBP-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C2CCCCCCC2)C1	158834939	BLCLOACFTCMMGE-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1cc2ccccc2o1	159223237	REZXOFYGJVQIRZ-MRXNPFEDSA-N	246.350	4.683	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1=CCCCCC1	161961398	MRGXZVFEJCXRHZ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1cc(C)cc(F)c1	162541013	GVQXYFGDKYKRLA-IUODEOHRSA-N	248.341	4.533	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)c1cc(C)c(C)cc1C	168663383	CNFXIGMYALCLAI-YVEFUNNKSA-N	247.426	4.699	0	10	BJAE	
CC1(C)CCC[C@@](O)(CC2CCCCC2)CC1	203698117	CCNSBQTYBYCECS-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CC[C@H](C)[C@@H](C)C2)cc1	221147821	PTKNMQBHMQPCHC-XEZPLFJOSA-N	244.378	4.504	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1C	229192483	DOQCBBGUHPSKPO-DUVNUKRYSA-N	244.378	4.558	0	10	BJAE	
CCCN[C@@H](c1cc(C)cc(C)c1)[C@@H](C)C(C)C	229475368	VCFIXQFRGMJUNR-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CC1CCC([C@@H]2CNc3ccc(Cl)cc32)CC1	232864359	VZTBJUSADNQIHU-MGULZYLOSA-N	249.785	4.675	0	10	BJAE	
CCC[C@H](CC)N[C@@H](CCC)c1cccs1	233347079	NFVWOXSJVBXMGM-STQMWFEESA-N	239.428	4.758	0	10	BJAE	
CCc1csc2c(Cl)ccc(Cl)c12	238326785	WQMHIKHMUJJEEM-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@H]2CC[C@H](C)CC2)c1	253145043	ZJDGLRGSGWOHQR-SRCQZFHVSA-N	245.410	4.533	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CC2=CCCCC2)C[C@H]1C	253173148	LFQCLLMLTQLEAG-UMVBOHGHSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H]1C[C@H]1N[C@H](C)c1ccc(C(C)C)cc1	300585950	OREUYHVBHJVJAO-KBRIMQKVSA-N	245.410	4.649	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1C[C@@H](C(C)(C)C)CCC1=O	304580137	YHDRFSKSFZHQKQ-MELADBBJSA-N	238.415	4.700	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC[C@@H]2CC)cc1C	306052587	UJGXBCNWNRRKSN-RDJZCZTQSA-N	245.410	4.938	0	10	BJAE	
Cc1c(C(F)F)c(Cl)cc2sccc12	307189596	VABCQWFIAYPNHH-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC1(C)CC[C@H]1Nc1ccc(Cl)cc1Cl	308805027	MDXMSGJGCRKXBP-LLVKDONJSA-N	244.165	4.594	0	10	BJAE	
CCCC[C@H](CC1(CC)CCC1)NC(C)C	309242062	AYUKSUCAVYVGEN-CQSZACIVSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC)CC1CCC(C)CC1	310543164	UEDDDZZAZYSGGQ-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1ccc(C(C)(C)C)cc1	310689815	PMWRFOBYSWMUJS-ZDUSSCGKSA-N	246.394	4.849	0	10	BJAE	
Cc1ccccc1[C@@H]1C[C@H](C)c2ccccc2N1	310828261	YKERNMXTGOMKIC-GUYCJALGSA-N	237.346	4.655	0	10	BJAE	
CC[C@@H](C)CC1(CNC(C)C)CCCCCC1	317798894	YRFAITFCBANEHO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@](CNC2CC2)(CC2(C)CCC2)C1	318416223	MRMSWRMDERLINC-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1)[C@H](C)[C@@H](C)CC	320160713	XVRZQJHVVXXDSV-UXLLHSPISA-N	247.426	4.636	0	10	BJAE	
CC[C@H](C)[C@@H](C)c1ccc2c(c1)CC[C@H](C)N2	320277353	ZKSRGPOPUSMLOC-RWMBFGLXSA-N	231.383	4.583	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](O)CCC1CCCCC1	322337242	CLWKQOFCACMCEP-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c(O[C@H]2C=CCCCCC2)c1	379855828	MFHJIMNIWLOIAC-HNNXBMFYSA-N	230.351	4.571	0	10	BJAE	
C[C@@H](C[C@]1(O)CCC[C@@H](C)C1)C1CCCCC1	379862135	PPEFPSHMJCJTOA-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1(CC)CCC1	381598761	GJGKGJACPAIWGG-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC2(C)CCCC2)C1	383582873	FWHVJWSGTLVUHQ-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2CCC[C@@H](C)C2)CC1	383617012	UOEMYPYEHWSKJR-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C)[C@H](CC)CC1CCC(C)(C)CC1	383975357	ZEHNGEROLBEHRA-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](Nc1cccc2ccsc12)C(C)C	386269904	YYPKHENARKIHNR-LBPRGKRZSA-N	233.380	4.748	0	10	BJAE	
CCc1ccccc1[C@@H](C[C@@H](C)C(C)(C)C)NC	386679275	XYRHYOSHYVOONS-CZUORRHYSA-N	247.426	4.582	0	10	BJAE	
CC[C@H](C)c1ccc(OC/C(C)=C\Cl)cc1	390420570	PWALVVCOLJREFY-MMRAYRKESA-N	238.758	4.722	0	10	BJAE	
CCCC1(NCC2(C)CCCCC2)CCCC1	394643657	MJXIYDVASSKQHY-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCOc1c(C)cc2sccc2c1C(F)F	396239874	KFKQMUJHKRANAH-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CC[C@H](Nc1ccc(Cl)cc1)[C@H]1CC1(C)C	397749123	BOLWTBRHWFIEIY-OLZOCXBDSA-N	237.774	4.577	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C)[C@@H](C)C(C)(C)C	399149096	FKZBHGJWUQZUJZ-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
CC(C)NC[C@@]1(CC2=CCCC2)CCCC[C@@H]1C	401086875	RYACHZKJDBRVHI-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)NCC1(CC2=CCCC2)CCCCC1	401174873	QDJMMQIIOLOBFO-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](CC(C)(C)C1CC1)C1=CCCCCC1	405714104	BCXHCWSHMAOGDD-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@]1(c2cccc(C(C)C)c2)CCCCCN1	688941161	WTKUFCYROWCSBV-QGZVFWFLSA-N	245.410	4.579	0	10	BJAE	
CCc1ccc(CC)c(NC[C@H](C)C2CCC2)c1	689501291	BQRNPORFPQSZKV-ZDUSSCGKSA-N	245.410	4.660	0	10	BJAE	
Cc1cccc(F)c1N[C@@H](C)CC1CCCC1	689804327	WFRIYICYGPDBTE-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CCCCC[C@H]1C	689807441	LGXNSANFXKUWHP-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2CC3CCC2CC3)c1	691721919	LXPGXOMLPMJYNB-GPANFISMSA-N	243.394	4.542	0	10	BJAE	
CCCCC[C@@](C)(O)c1ccc2sccc2c1	691825180	UROGRAMROZTHTL-OAHLLOKOSA-N	248.391	4.689	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1CC2(CCC2)C1	691922743	WCLFFYXPZYDOOH-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC2(CC2)C1)c1cccs1	695690935	QCGUHGUOPZKFFI-CHWSQXEVSA-N	249.423	4.512	0	10	BJAE	
CCCC1(CN[C@@H]2CCCC[C@@H]2C2CC2)CCC1	696065237	VQWIDBGWFOUTID-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCCC[C@@H]1C1CC1	696103872	JLKUPUWOTQQSTL-HIFRSBDPSA-N	247.357	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC/C=C\c1ccccc1	696595068	TZPHJFBKDNMFAV-LJEUOOAZSA-N	246.394	4.667	0	10	BJAE	
CCCCCC[C@H](C)NCCC(C)(C)CC	696738970	XTLCWCYKUDUJBH-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)CC[C@]1(CNC)CCC[C@H](C)C1	696799640	MNLWKRWHPQQRJM-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CCC(C)(C)CC	696809124	UAICSDZPODSAJH-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CCC=C(C)C)NC	697810600	OWHIDGZXRYWEAT-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCCCC[C@H](NCCC)C(C)(CC)CC	701245157	YGEUBRPRAMCPRA-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(N)CCC(C)(C)C	704839922	AOENTXDXIMEMGB-DZGCQCFKSA-N	227.436	4.602	0	10	BJAE	
CCN[C@H]([C@H](C)CC(C)C)[C@H](C)CC(C)(C)C	708249282	MSIQHLCUYNLJHE-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CN[C@@H](c1cc(C)cc(C)c1)[C@H](C)CC(C)(C)C	708315229	HABOTTUSCYRSHY-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)(C)C)CC1(C)CC1	709089342	NLMZHROGQMMKFZ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC[C@H](C)CC(C)(C)C)C(C)(C)C	709101668	BVWRBRWTUNGLKD-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
c1cc(C2CCC2)ccc1NC(C1CC1)C1CC1	709668833	IGKFQQIKPCJRNU-UHFFFAOYSA-N	241.378	4.555	0	10	BJAE	
Cc1ccc([C@](C)(N)C[C@@H](C)C(C)(C)C)cc1C	710757351	IBNIZHNKANQKKN-RHSMWYFYSA-N	247.426	4.550	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C(C)(C)C1CCC1	713232263	HJVGCRKCOBJTKE-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC(C)(C)C(C)C	713239763	CTPZZRUUKOIKNO-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC(C)(C)CC)C1	713306516	CNXFOAUHWNXKSL-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714423393	KOIAWGQRZJKQDV-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cscc1C(F)F	717181137	VGYFQRHXMVRSDH-KCJUWKMLSA-N	248.338	4.545	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCCC(C)(F)F)NC	718721995	LHYGFWXLJSRLPZ-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)CCc1ccc(Cl)cc1	718745604	CBUTUCBRNYVPAR-UHFFFAOYSA-N	208.732	4.629	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CC)CCC=CCCC1	719021513	WWYJBZRFYFYPFY-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CCCCCC1(C)C	719196756	FGAKKMMKNCCZAD-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
Cc1ccccc1S[C@H](C)c1cccc(F)c1	1652615865	GGPVMEHXGOUQAF-GFCCVEGCSA-N	246.350	4.987	0	10	BJAE	
CC[C@H](C)CCNC1CCC(CC)(CC)CC1	1656595535	DUFLSFYWURUHNL-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1ccc(C)c(F)c1	1656859509	DCXKYEFNORHFLT-IUODEOHRSA-N	247.357	4.538	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N(Cc1ccccc1)C(C)(C)C	1880414226	YSQRMEIUUOSLTK-HUUCEWRRSA-N	247.426	4.722	0	10	BJAE	
CCC(C)=CCc1ccc(Cl)cc1C	1888065483	FOINDNQRKVGANL-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CCCCC[C@@](N)(CC)[C@@H](C)CC1CCC1	1899419027	XDIGXMIGCDWQJT-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1ccc(F)cc1Cl	1901627897	VOTXSCXYQHHOSZ-VHSXEESVSA-N	243.753	4.572	0	10	BJAE	
CCC[C@@](O)(CC)CC[C@H]1CCC(C)(C)C1	1903384558	ATEUNGVPSVSDRA-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC)CNC(C)(C)C	1905368266	GLVUAUDFAIIAEC-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)CC(C)(C)CN[C@H](C)CC	1905381289	IEVLNVTWIRXFMX-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC=CC[C@@H](C)c1cc(C)ccc1C	1911869557	IERUVTRANXWWCW-CYBMUJFWSA-N	202.341	4.763	0	10	BJAE	
CCC(C)(C)[C@H](C)NCCC=Cc1ccccc1	1912013302	LZVKULKXLJLUMG-HNNXBMFYSA-N	245.410	4.504	0	10	BJAE	
CCCCC[C@H]1CCCCCCCC[C@@H]1NC	1913391812	KRPXJWYUXRYZAC-HOTGVXAUSA-N	239.447	4.905	0	10	BJAE	
CCCC=CCNc1ccc(C(C)(C)C)cc1	1914676207	QKNCSDSTTVKBSO-UHFFFAOYSA-N	231.383	4.752	0	10	BJAE	
C1=C(CCN[C@H]2CCC3(CCCCC3)C2)CCC1	1915870408	SFTLAMNMQLOPBL-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CC[C@H](N[C@@H]1CCC2(CCCCC2)C1)C1CCC1	1915921921	FNZZRLPNEFWAFZ-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC1CCC(C[C@]2(CNC(C)C)C=CCC2)CC1	1916336222	AOWZDSPFAKUTNR-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC(N[C@@H]2CCC3(CCCC3)C2)C[C@H](C)C1	1916439550	AHWQWZCVZJKLHH-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCC1CC(CCCCCC(C)C)(CNC)C1	1921182340	KAESKWRWTNWLDW-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1CC(CC)C1	1921297539	KBNDIUZMVZLKSU-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1C=CCCCC1	1925765102	KFUYUHCMHXIKDJ-LSDHHAIUSA-N	236.399	4.908	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2C=CCCCC2)c1	1925929838	KAWMXTWJSMUDML-HNNXBMFYSA-N	243.394	4.968	0	10	BJAE	
CCC(CC)(CC)CNC[C@H]1C=CCCCC1	1925936604	YRVNRWAQVLDMLG-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCCC1CCC1	1936347739	GFSKLUNRYJFAKL-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(CCCC2(C)CC2)C1	1940870592	VDJWFCQBKGKMQO-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@]1(CNC(C)(C)C)CC=CC[C@H]1C	1940953939	RRMRWFQPCGFXRF-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)C[C@H](C)CC(C)(C)C	1941245159	FHPATACEOFNVJN-ZNMIVQPWSA-N	242.447	4.882	0	10	BJAE	
CC[C@H](CN[C@H]1CCCC(C)(C)CC1)C(C)C	1941934542	LAVKOLNTXFWECY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@@H](C)CCC(C)C	1942658959	IDTRSKQTZGCNKV-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC(=O)c1cccc(-c2ccc(CC)s2)c1	1943020837	CMBQBXFTUZOOCS-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H]1CCC(C)(C)C1	1945595032	VYIQXVXKMJYPMA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1(C(=O)[C@@H]2CCC2(C)C)CCCC1	1945752659	HGNLJLPHSVNMFD-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
Cc1ccccc1NCC(C)(C)C1CCCC1	1946170739	JGVLHQKYJRUYEC-UHFFFAOYSA-N	231.383	4.623	0	10	BJAE	
CCCNCC1(C(CC)CC)CC(C)(CC)C1	1948412209	DFTQYPCLBDGVFI-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CC=CCC1)NCCC	1948429272	PPKIXBLCEYWSLT-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
Cc1cscc1N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	1948596011	LYGQMGMTUUVBKH-KCQAQPDRSA-N	249.423	4.827	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCC(C)(C)C[C@H]1C	1949047226	OYWUTGIZIASOGU-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](C)C[C@H]1c2ccccc2NC[C@@H]1C	1949108958	HBDCINIFIOUGKS-KCQAQPDRSA-N	231.383	4.658	0	10	BJAE	
CC1(C)CC[C@H](CCC2CCCCC2)C[C@@H]1O	1949681927	XIXZWBLVJTVJAJ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](CNC(C)(C)C(C)(C)C)C1	1962979543	BKAYNIIWXJEOFT-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCN(C[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccccc1	1964100822	BXMURJURZQMSCU-ZSHCYNCHSA-N	245.410	4.585	0	10	BJAE	
Cc1ccc(F)cc1NC1CCC2(CCC2)CC1	1968313251	ZGBPQUFHLFAEMB-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CCc1ccc(N[C@H](C)C(C(C)C)C(C)C)cc1	1968313900	MEEQIBSBGDKBIN-CQSZACIVSA-N	247.426	4.978	0	10	BJAE	
Cc1ccc(N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)cc1F	1968319844	DAABYKLISPDSSA-YGSHXTJESA-N	249.373	4.617	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CCC12CCC2	1972258671	DFGWHEMCBPYOCL-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC1(C)C[C@@H]1CCN1CCCCC12CCCCC2	1972913081	UDYFPIZQXFGDBL-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc(Cl)cc1C	1976011649	XYLIWFIMPNWNCG-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC=CCCC[C@H](NCC)C(C)(C)CCC	1984618083	HOZSPANNBSBEJA-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC(C)=C(C)C)C1	1989652078	QPLJWQOOKQRVLY-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H]1CCCC[C@H]1C	1990094873	XZSVQBNMNXCLLN-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCC1CCC1	1995204145	NYUAFLLPTJJHBZ-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H](N)C2(C)CCCCCC2)C1	1996229320	PMGDMIURQDFRPU-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@H]1CC=CCC1)NCC	1996613285	PSENCGBTIVRMPO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCCCC[C@H]1CC	1996616904	OXDOMHCUKXXRSU-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)CCC1CCC1	1998032106	LGLFEZRBZLDOBH-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)CCC1CCC1	1998047233	IOATZQUTSLIXNZ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=CCCC(=O)c1cc(C)c(C)cc1C	2000169851	AMJUZZGNWNRJKC-UHFFFAOYSA-N	230.351	4.541	0	10	BJAE	
CCCN[C@H](C)C1CCC2(CCCCC2)CC1	2000274188	NHPAGAFUKGKPDA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](C)(CNCC)CC1CCCCC1	2000505056	NLXVPYOIYFXDGD-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC(C)(CC[C@@H]1CCCCCC[C@@H]1O)C1CC1	2003100474	RFTAWNAFAZGPCX-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](Nc1cccc(C2CC2)c1)C1(C)CCC1	2004840064	MOCWDTFVNHWVJL-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1C=CCCC1(C)C	2006901082	KBVBKKZPUWVITO-RRFJBIMHSA-N	237.431	4.536	0	10	BJAE	
CC1=C[C@@H](N[C@H](C)c2cc(C)sc2C)CCC1	2006903543	AIJVSSARKZNTPH-OCCSQVGLSA-N	249.423	4.514	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H](C)C1CCC1	2009629525	SUIUFXBOYKYCGG-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)C(C)(CC)CC	2010624768	LTNKZJWUVBPVDK-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)C(=O)CC[C@]12CCC[C@H]1C2	2011016076	LEINTCACXCAJDO-BBRMVZONSA-N	236.399	4.742	0	10	BJAE	
CCC[C@](O)(CCC[C@H]1C[C@@H]1C)C1CCCC1	2011561450	PIWKTVFWYIZVIO-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(O)CC1C[C@H]2CCC[C@@H]2C1	2011976471	ONDMORQMVMFJCY-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](O)(CC)CCC(C)C)C1	2013270199	GJVBQWHATUNUEC-OWCLPIDISA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@](C)(N)C2(C)CCCC2)C1	2014341241	XMWUYHXWIHDSCT-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@H](C)[C@H]1CCC1(C)C	2014934018	FKHVIRSYAHDTBW-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)CC1(O)CC(C)(C)CC(C)(C)C1	2015284506	OETPRKMQOKWGNN-ZDUSSCGKSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC(C(C)C)C(C)C)[C@@H](C)CC	2015290697	MJZXCTFHSQJCQM-GOEBONIOSA-N	241.463	4.719	0	10	BJAE	
CC[C@H]1CCC[C@@]1(N)CCC(C(C)C)C(C)C	2015360585	JRABYWUQEPVIQP-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)CC(=O)C[C@@H](C(F)F)C(C)(C)C	2015380990	XBFCFZPSRJACAX-PWSUYJOCSA-N	248.357	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H](C)C(C)C)CC1	2015388473	VRGBAZPYCJQURS-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
Cc1ccccc1OCCC(C(C)C)C(C)C	2015389307	UGNVYDQNSYWNRX-UHFFFAOYSA-N	234.383	4.692	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)C1(C(C)(C)C)CCC1	2017138237	HVAKQDXICNSGRP-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1C)CCC(C)(C)CC	2017241560	DJMDAVJIFVMPPW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(F)CN(CCC(C)C)CCC(C)C	2017463533	KPWKHJIMRNNOGB-UHFFFAOYSA-N	243.410	4.644	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](NC)C(C)=C(C)C)CC1	2017475916	SDWCRIPRPSZHCN-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(CC[C@H](N)C2CCCC2)CC1	2017721755	LIJPTZYRWGXKCL-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](NCC)C(C)C)CC1	2017723149	JDASUUYTNZQMBC-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CSc1cccc(NC[C@H]2CC[C@H](C)CC2)c1	2017726449	ZDKMURSISLUUJQ-JOCQHMNTSA-N	249.423	4.647	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H](C)C2CC2)CC1	2017776453	PEZOGWJUYQATML-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@H](O)C[C@@H](CC)C(C)(C)C)CC1	2018975095	IQJCDEGIBSZOHQ-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@]2(O)CCC(C)(C)C[C@H]2C)CC1	2018976175	VGVDYJIQQAJWMP-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](C)C1CC(C)C1	2019187915	GCVDYLVJTZZGBL-FYRZTWFESA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@@H](C)C1(C)CCC1	2019194738	RSBSDSYKACHBEJ-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CC(C)C[C@H](C)N1CCCC12CCCCCC2	2019299777	MJBRJABEMDKTLO-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
Cc1cccc2c1ccn2[C@H]1C=CCCCC1	2019531343	CZFSFDYLDXLYDL-AWEZNQCLSA-N	225.335	4.621	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@@H](C)C1CCC1	2019765954	GLMYQJNFGQPCBL-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(O)(C[C@@H]2CCCC(C)(C)C2)CC1	2024127725	GRUZCHQDRQSPQU-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)C[C@@H]1CCCC(C)(C)C1	2024129741	XPPGHJCWEUTFEV-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC1CC(C[C@H](O)CC2(C)CCCCC2)C1	2025329838	ZEFGHZQMZOWLRG-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CC[C@H](C(C)C)C1	2025572384	WANJVHXPEGKNQL-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCCc1coc2c(C(C)(C)C)cc(C)cc12	2026528107	AIRSXQNFJAVKLR-UHFFFAOYSA-N	230.351	4.991	0	10	BJAE	
Cc1cccc(N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)c1C	2027794393	VTHPSKXBYCOZRB-TZDHZFECSA-N	245.410	4.786	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)c1cccc(C2CC2)c1	2028558115	UANXKWSBLUEHSA-GFCCVEGCSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@H](CC(C)C)c1ccc(C2CC2)cc1	2028592790	HHTSFODZOKULPN-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc(C(=O)CC2CCC=CCC2)cc1C	2028872929	PIBFVSCNCHYSRH-UHFFFAOYSA-N	242.362	4.623	0	10	BJAE	
CN[C@@H](CCC(C)C)c1ccccc1CC(C)C	2028916038	VHFWBLCDTIJRPJ-KRWDZBQOSA-N	247.426	4.582	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(CNC2CC2)CC=CCC1	2029835891	IFNMYKNDGMDJOC-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(N[C@@H]2CC(C)(C)CC3(CC3)C2)C1	2036460055	OAHNDAUMMZWJRG-VQCLRJIVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCC2=CCCCC2)CC1	2037171194	CRCSWGBMJWFPJD-NVXWUHKLSA-N	249.442	4.955	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H](NC)c2ccccc2)C1	2038137088	AGYGLSMMPDVPQN-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H]1CCC[C@H](C)CC1	2039364308	WRNZWPBEIDVEJA-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
CCc1cccc2ccn(C[C@H]3CC[C@H](C)C3)c12	2040137315	HYRDCNIFSUONEA-KBPBESRZSA-N	241.378	4.640	0	10	BJAE	
C[C@H](N[C@H]1CCCCC[C@H]1C)C1CC2(CCC2)C1	2043547962	UPZJMTODKVZOER-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@H]1CCC=CCCC1	2045308826	XBPWBNYLZOQNTG-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CCC(CC)CC(=O)[C@@H](c1ccccc1)C(C)C	2045674236	VHOYUQQBAQHXNA-QGZVFWFLSA-N	246.394	4.822	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H](C)c1ccccc1	2045979076	NJOHLQNUPBGLOG-RDJZCZTQSA-N	247.426	4.726	0	10	BJAE	
C1CCC(CNC2CC3(CCCCCC3)C2)CC1	2046230204	OHGLNLQYOISHRL-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2CC23CCCC3)CC1	2047053863	YSHLSZZRAPOYMM-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C2[C@H]3CCCCC[C@H]23)CC1	2049202002	BDAOBAJZKPQBRZ-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)[C@H]1CC[C@H](C)CC1	2049634519	JKRWYILOQQFDDI-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@H]1CCCC2(CC2)C1	2049850649	ZJDGYMXUWIMANU-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(CC1CCC2(CC1)CC2)C1CCC1	2049856249	OBUDZRLAACKZNM-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)NC[C@@]1(CC2CCC2)CCCC12CC2	2053360433	VGZLGOMJRCTCGT-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](CC2CCC(C)(C)CC2)CC1	2055526114	LCZMCVAPFREECA-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCC=C[C@@H]1NC1CC(C)(C)CC(C)(C)C1	2055562262	DAAOMFHWYTYGCB-ZFWWWQNUSA-N	249.442	4.536	0	10	BJAE	
C[C@H]1CCCCC[C@H]1Nc1ccc(CCF)cc1	2055666734	CYALRPCTKGLUOJ-XJKSGUPXSA-N	249.373	4.579	0	10	BJAE	
CC1CCC(C)([C@@H](N)C2=CCCCCCC2)CC1	2056552126	JOCHPBINEBJUNA-WIHSUSGWSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)[C@@]1(C)C=CCC1	2056652886	IELIPKGWSMJSKP-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2059206310	KVANUIVHVLPQPM-PPTSTLTQSA-N	248.410	4.908	0	10	BJAE	
CC=CCCC[C@@]1(O)CC[C@H](C)c2ccccc21	2059221620	PLYHRESNOHZMAN-WMLDXEAASA-N	244.378	4.518	0	10	BJAE	
CCCCCC1CC(N[C@@H]2[C@H]3CCCCC[C@H]32)C1	2059394295	SRDJVIRKZLZAAO-NDQLQDMOSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](NC)C2=CC[C@H](C)CC2)CC1	2060920846	HLGIWXKXWNRLLV-NXNVCVFFSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CCN(C)CC1CC(=C2CCC2)C1	2061706710	IMCSKLCJYIQWJR-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)CC12CCC(CC1)C2	2065276998	JPMORVRKLGXXFA-GYMHETDLSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC1([C@@H](N)c2cccc(C(C)C)c2)CC1	2069521749	PFGLVXMHENSVDN-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CCCC[C@@](O)(CC)C1CC(c2ccccc2)C1	2071402519	DNSAWPLGSGSRDY-JCYILVPMSA-N	246.394	4.512	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)C[C@@H]3CCC[C@@H]32)CC1	2072807456	WJPTWEOUUHNFKR-WOYTXXSLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC23CC(N)C3)CC1	2072822050	QRMKANUSJMYIIF-ZXDRNQKISA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H]2C[C@H]2C2CC2)CC1	2072877553	IIVDAGMOVGYJQD-BGHVQYPCSA-N	248.410	4.598	0	10	BJAE	
CCC(=C[C@@H]1CCCC2(CC2)C1)CNC(C)(C)C	2073789579	GFCSJTBBBVWIEM-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](N)c2ccc(C3CC3)cc2)CC1	2074566086	HIFZTICWULVCFQ-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCCC1(CC[C@@H](NC)c2ccc(C)cc2)CC1	2074636807	OTDARTOBLTZOCP-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@@H]2CCC3(CCC3)C2)C1	2074891077	DTQBUOMUKKYDSH-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
c1ccc(C2CCC2)c(NC2CC(C3CC3)C2)c1	2077264967	GEXMMHORGMRTRM-UHFFFAOYSA-N	241.378	4.555	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@@H]2C2CCCC2)CCCCC1	2079632685	JDZOXDCRXOZWNA-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(N)(C[C@H]2C[C@H]2C2CCCCC2)C1	2079667737	YRXSRXQHVVRFTP-XNIRIUNOSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)C1(CC2CCC2)CC1	2079845020	XCEUEJSVRJXYOK-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)C[C@H]1CCC12CCC2	2079849813	BAUCGDICWSNFRY-GZBFAFLISA-N	248.410	4.598	0	10	BJAE	
CCCC1(C(=O)C[C@H]2C[C@H]2C2CCCC2)CCC1	2079865227	OCJXNLSSXRSDIM-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@]1(N)CCC2(CCCCC2)C1	2079887226	UTYIAHKDMRPHMK-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CCCNC23CCCC3)C1	2083813900	JBEWBWZJLCTISB-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(-c2cccc3ccccc23)cc1C=O	2098576636	UOODOMIQBUXTRI-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
C(=C/c1ccccc1)\CC1CC2(CCC2)C1	2210661730	DUDZTZSIHNQLRW-XBXARRHUSA-N	212.336	4.670	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCCCCCC2CC2)C1	2213577023	XCPXSSQUIAKWFW-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1C[C@H]1CCC1(O)CCCCCCCC1	2215253260	RKNUMQNCXNQQDW-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)[C@]1(C)CC=C(C)CC1	2215810542	UVBQNRXIILYOGT-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C(C)(C)CCC	2216277110	DHWBFQXTBONDQS-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CC[C@]1(O)CCCCCCCC1CC1	2216861528	HHLHYSIMHOUGGB-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)C[C@H](CNC1CCC1)CC(C)C	2217124674	JMPCZAHFFJGBQJ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@@H]1CC[C@H](C)C1	2217125991	SCRDUIXGNFLOPH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@](C)(CNC1CCC1)CC1(C)CCCC1	2217140357	VZNMHXXJDPHPBG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC)CCCCC(F)F	2217155165	ZZXTVOPFPDDCHD-OCCSQVGLSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCC[C@@H](CC2(N)CC(CC3CC3)C2)C1	2218494912	BNVGGJGKCSQZDJ-HPUBIQBYSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1C[C@@H]2CCC[C@@H]2C1	2218736399	YGVSEWJBURFDNB-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@@H]1C=CCCC1	2220048221	ZLEUBXRISOWQJY-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2C[C@H]2C2CCC2)CC1	2221642521	GLWUFLVHJXLPSC-VYDXJSESSA-N	246.394	4.518	0	10	BJAE	
CC(C)CC[C@]1(CNC2CCC2)CC=CC[C@@H]1C	2223598281	SQOZVAADFIGKDZ-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](c1ccsc1)[C@H](CC)CCC	2244784349	MZWXAKWLXWQTKV-OCCSQVGLSA-N	239.428	4.615	0	10	BJAE	
CC(C)=CCCCc1ccc(C)c(F)c1F	2245303039	PSZJFWPTNZHBBJ-UHFFFAOYSA-N	224.294	4.562	0	10	BJAE	
Cc1ccc(C)c(NCCCC[C@H]2C[C@H]2C)c1	2247116226	NWRGRGAAMNCSGV-CABCVRRESA-N	231.383	4.542	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@](C)(N)C1(C)CCCCC1	2247435778	VQAVPCNYSCLUQC-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C1=C(COc2cccc3sccc23)CCCC1	2247558079	SCXPYYVLTUZBPC-UHFFFAOYSA-N	244.359	4.781	0	10	BJAE	
CCCCC[C@@H](C)NCC[C@@H]1CCCC12CC2	2247598508	CRJDKJNWMVDKAS-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C(NCC1=CCCCC1)C(C)(C)C	2247719026	XPRHFNFWKAWCMX-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@](C)(N)CCCCC[C@@H]1C[C@H]1C	2248843274	UARDIWIXIGLYNP-OAGGEKHMSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)CNCC(C)(C(C)C)C(C)C	2250389726	LTKCAMIXBOIJPU-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CCCC(N)(CCC)C[C@@]12CCCC[C@H]1CC2	2251212700	SRHGIIRSMFLRIM-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CCN[C@@H]1CC(C)(C)CCC1(C)C	2251680546	DHCCFARZFYQIRG-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251710801	DGNQFOKLFPLHOM-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CC(C)[C@@](N)(CC[C@H]1CCCCC12CC2)C1CC1	2253843189	HTUKTNQEOXEHEL-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)C2(CC3CC3)CC2)C1	2253994339	DNLGIFNJAVGWRC-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CCCC[C@@H]1C1CC1	2254599261	UKJOVWVNKVSHNO-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1-c1cc(C=O)cc(C(C)C)c1	2254713783	DRPBVBWSACEUSX-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
Cc1cc(C)cc(OCC[C@@H]2CCCC23CC3)c1	2255311354	TYCSBMPDKUIPCG-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(CC[C@H]2CCCC23CC3)C1	2255330395	MZDINDZOBZIRKN-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](C)[C@H]1CC12CCC2	2256443455	OMVKTQXMOPSJLO-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)Nc1nc(C)cc2occc12	2256865613	QQDYRKNACDQOPS-GFCCVEGCSA-N	246.354	4.517	0	10	BJAE	
CC1(CCCNc2cccc(C(C)(C)C)c2)CC1	2257964240	XRVCOIHWNSPUJA-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
Cc1cc(NC[C@H]2CCC23CCC3)cc(C)c1C	2258239247	QLPUDQAAPXIFIR-OAHLLOKOSA-N	243.394	4.604	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)[C@]12CCCC[C@@H]1CC2	2260498928	BMMCYNOFILZSRY-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)[C@@]12CCC[C@H]1CC2)C1CCCCC1	2260519033	WGUNBRKBOZTLCW-UKPHBRMFSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@]23CCCC[C@@H]2CC3)C1	2260583163	NHCQAYUFFAQHRT-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(OC[C@]23CCCC[C@@H]2CC3)c(C)c1	2260644577	BTJASRUUEFIIQQ-NVXWUHKLSA-N	244.378	4.653	0	10	BJAE	
CCCNCC1(C[C@@]23CCC[C@@H]2CC3)CCCC1	2260651321	KGACFUWGHCYGKU-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@@H](C)CC1CCC1	2298850171	NGIOOKQPMCRTEQ-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC[C@H]1C[C@H]1C	2300457454	CKRZSVCCSFMXBV-HIFRSBDPSA-N	231.383	4.576	0	10	BJAE	
C[C@H]1CCC[C@H]1Nc1cc(C2CC2)ccc1Cl	2300672282	TWCLIXFYTQIUDP-IINYFYTJSA-N	249.785	4.818	0	10	BJAE	
CC(=CCC(C)(C)C[C@H](C)N)CCCC(C)C	2300886766	AGLSMSJKJRWVAX-HNNXBMFYSA-N	239.447	4.913	0	10	BJAE	
CCC(C)=CC[C@]1(N)C[C@@H](C)CC[C@H]1C(C)C	2300919990	BMGMGRFQZZBMGW-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1C[C@H]1C1CCCCC1	2300921237	NUGYTJMZTBLZHC-GJZGRUSLSA-N	234.383	4.518	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@@H](N)CC1CCCCCC1	2301142203	HJFXMJQFYVJSCO-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(O)([C@@H](C)[C@H](C)C(C)C)CC1	2301965261	RFJBDMSYYFCZSM-QVOMUQBLSA-N	240.431	4.636	0	10	BJAE	
C[C@](O)(CCCC1=CCCCC1)CC1CCC1	2302325414	HJASVNWHVRBXKU-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1NC[C@@H]1CC(C)=C[C@@H](C)C1	2302893710	XTZNXKLQGVYTNQ-YPMHNXCESA-N	249.423	4.715	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@H]1CC[C@H]1C(C)(C)C	2303442731	MZONWHUYJJLZOY-MELADBBJSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1ccc(C2CCC2)s1	2303535471	WDOVTISXCXBVMW-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@@H]1CCC(C)=C(C)C1	2303576056	RUSLVHNJICJJQH-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc([C@@H]2CCCC23CCC3)n1	2307692997	JPFODYFUDILILS-UTUOFQBUSA-N	247.407	4.704	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(N)CCCCC12CCC2	2307749633	MIKKYMHGDUEQEK-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](CC)CC(CC)(CC)CNC1CC1	2307900796	WFAUGTORUXTDJJ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)C1CCC(C)CC1	2307902759	MHSGANLLQWPDHS-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)[C@H]1CCCC(C)(C)C1	2307923209	RMGYLTLGBYKSAE-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309130750	VJPHSKGIKXPRSI-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1C)C1=CCC(C)(C)CC1	2311274125	AJWCDUNKASOJTA-BMFZPTHFSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312903596	RSIWQFHZFMJBOF-CQJMVSDSSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312959782	KIHHMBMDDWIAJP-WCCAFZKYSA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313181458	RQNLFSRMMNLRTQ-JPLDOALUSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@]12CCC[C@@H]1CC2	2313289256	BQDZVFLJNZFWGY-KTGDWTQYSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@H](NC)C12CCC(CC1)C2(C)C	2316509805	QVLHSZMYFMICPJ-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CC(=CC=C(C)[C@@H]1CCCCN1)CCCC(C)C	2316568461	QDMUUNLMUFEUAF-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CC(=CC[C@H](N)[C@H]1CC12CCC2)CCCC(C)C	2316570614	LAVREHSQRDLQLC-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc([C@@H](O)CCC2CCCCCC2)cc1	2316870651	SQLKLVFYAOJEGZ-KRWDZBQOSA-N	246.394	4.779	0	10	BJAE	
CC(C)[C@]12CC[C@](N)(CC3CCCCCC3)[C@@H]1C2	2316884844	KATOENQRXJMYMO-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CC1CCCCCC1	2317010917	SNNDWCYLAUSDCG-RHSMWYFYSA-N	248.410	4.908	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317210501	CFICLKFXCXIKID-KFWWJZLASA-N	248.410	4.764	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@H]1C[C@H]1C(C)C	2317929876	PFVMESWUFJCZSR-WFASDCNBSA-N	249.373	4.653	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@@]12CCC[C@@H]1CC2	2317973737	FOPDPVBYHMLZOA-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@@H]1CCCC2(CC2)C1	2318938323	IVGIKZGZVDQFJK-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@@H]2C[C@H]12)C1(C)CCCCC1	2319450655	KBQZVGODZPXJEA-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H]2CCC(C)=C(C)C2)C1	2320236790	CENICBXDTRSQLL-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)[C@@]1(CNC2CCC2)CCC(C)=C(C)C1	2320261777	SYJZJUHULVBVDB-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CCC[C@H]2C[C@@H]2C)CC1	2320330462	LDLYVSQFQSXCBG-XHSDSOJGSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1cccc(C(=O)CC2(CF)CCC2)c1	2320571241	UCKARGNKDLJAQG-UHFFFAOYSA-N	248.341	4.523	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@@H](C)CC2CCC2)c1	2320578971	XTJQEOZCNGETIO-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)C1CC(=C2CC2)C1	2328277163	TVZGKCPCOWSNBV-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](Nc1ccc(C)cc1)c1ccccc1	19997399	NPIBKWFMJISXJS-KRWDZBQOSA-N	239.362	4.948	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1ccccc1	36697211	GQAZPNXXWATWII-FVQBIDKESA-N	231.383	4.559	0	10	BJAE	
CCC[C@H](C)CNc1ccccc1C(C)(C)C	36956409	MGMWYHSZXAKYIR-ZDUSSCGKSA-N	233.399	4.832	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCCC[C@H]1CC	37031851	SBRSYNZKZVOTPI-FZKCQIBNSA-N	239.447	4.760	0	10	BJAE	
Cc1ccccc1-c1ccccc1C(F)(F)F	66314862	ILELRQCKXAXPJH-UHFFFAOYSA-N	236.236	4.681	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)c1ccc(CCC)cc1	84400401	NOVXSGOASQPKEG-CABCVRRESA-N	247.426	4.521	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CCC[C@@H]2C)cc1	86671558	YIUUTBLEKGYEQF-XJKSGUPXSA-N	231.383	4.630	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)C1CCCC1	94984732	VBFPYIBQKOXJSK-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC/C=C\[C@@H](C)Cc1ccc(CCC)cc1	107477443	GXZRNGUNBATWSC-IQCBXXCUSA-N	216.368	4.784	0	10	BJAE	
CCOc1ccc(N[C@@H](C)CCC(C)C)c(C)c1	109914693	IPTNHWXAWHKWAV-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](O)c1ccccc1	109994258	BEJSMEPNYRNEPI-ZBFHGGJFSA-N	234.383	4.717	0	10	BJAE	
CCCc1ccc([C@H](NCC)C(C)(C)CC)cc1	110209980	OSBKJXGSQCXIPE-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1ccc(C2CCC2)cc1	128733237	JKONRFVYIRPQFF-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC(C)c1ccccc1OCCCC(F)(F)F	149163446	XEMWXUMXTOFTRG-UHFFFAOYSA-N	246.272	4.531	0	10	BJAE	
CCN[C@@H](CCC1CCCCCC1)C(C)(C)C	149447536	SPTSNFGFSHQGAZ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](O)(CCCC(C)C)c1ccccc1	165581748	TWFXJGVVQLNRGO-INIZCTEOSA-N	234.383	4.501	0	10	BJAE	
CCC(CC)C[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C	167598292	NQMBKEHKDXJISP-FVQBIDKESA-N	240.431	4.636	0	10	BJAE	
C/C=C\c1ccccc1Oc1cccc(Cl)n1	215378427	JRMWWPZQHNGXPN-KXFIGUGUSA-N	245.709	4.560	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CC2CCCCC2)C1	227389524	PRIXHVQALQAIQT-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)c1c[nH]c2c(Cl)cccc12	232865848	KXYYLDIOTLIIRD-UHFFFAOYSA-N	221.731	4.725	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)C1CCCCCC1	233346757	QFXVUXMNKWCXIW-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2CC(C)=C[C@@H](C)C2)C1	233917281	QUZIWJVUPLEWHP-SIXLDLHFSA-N	249.442	4.537	0	10	BJAE	
CSc1ccc(N[C@@H]2CC(C)(C)C[C@@H]2C)cc1	235054849	RRXKURJQIAIUSQ-SMDDNHRTSA-N	249.423	4.645	0	10	BJAE	
Cc1cccc(Oc2cccc3ccccc23)c1N	236022043	DNLRCSWRHPORAH-UHFFFAOYSA-N	249.313	4.523	0	10	BJAE	
CCCCC[C@H](N)[C@@H](c1ccccc1)[C@H](C)CC	253057388	ZLOHXIKEYTWDBI-HYVNUMGLSA-N	247.426	4.724	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)C1=CCCCCCC1	300141229	RHIGVKMZOZWPNI-ZBFHGGJFSA-N	237.431	4.811	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H](CCCC(C)(C)C)C1	305951926	UVHAGGBQMHDRGI-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1ccc(C(C)C)cc1	309992463	HZQQYEFXKHNIEY-CJNGLKHVSA-N	234.383	4.526	0	10	BJAE	
CCNC[C@@H](CCC1CCCCC1)CC(C)C	310061509	SFFXQYGKTIOPHJ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](C)CCC(C)(C)C)c1	310246923	VZWCZNHVMPWQEX-LBPRGKRZSA-N	237.362	4.761	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1CCC[C@@H](C)C1	310510997	LNDZFAWVUUGSOA-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](Nc1ccc(F)cc1)C1CCCC1	313384793	GNVIGHSXICVJDA-HNNXBMFYSA-N	235.346	4.597	0	10	BJAE	
CNC[C@]1(CCC2=CCCCC2)CCCC[C@H]1C	316858768	STEVQGQGAREITJ-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
C/C=C\CC1(CNCCC)CCC(CC)CC1	318795321	QNKNTFWUKPOTSF-DAXSKMNVSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](Nc1cccc2ccccc12)[C@@H]1C[C@H]1C	322084006	VFIPXTALBIMBKW-WQVCFCJDSA-N	239.362	4.686	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)c1cccc(C)c1	381325179	GXNFSHVDGLSNGS-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CC[C@H](N[C@@H](C)CC(C)(C)C)c1ccc(C)cc1	384889931	LJCHIEASKBZYHR-HOCLYGCPSA-N	247.426	4.860	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CCCC[C@@H]2C)C1	384976528	IZUMNHOKZGVTIM-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@H](C)c2ccccc2)C1	385179088	OZWNYWGOZOIXCF-LZWOXQAQSA-N	244.378	4.576	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)CC1(C)CCCC1	386123557	MWKUJQGXTVEXNW-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](c1ccc2sccc2c1)C(C)(C)C	386413133	KAFWEXTYDSONQN-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
C1=C(CCN[C@@H]2CCCCC23CCCC3)CCC1	386561176	VLEQGTKLRAXINX-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C1CCCCCC1	395134838	HZNNWOFOQIGLCS-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCc1ccc2sc(C(F)F)c(CC)c2c1	396166755	IOFDKVNDVVQHEC-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1cc2sc(C(F)F)cc2cc1C	396226563	SDULGZRJVJKFQV-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1cc2cc(F)c(C(F)(F)F)cc2s1	396296187	JNWJLLCABSTQBS-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@@H](C(=O)C[C@H](C)C1CCC1)c1ccccc1	398736896	KVYSFZGHXYKFTP-XJKSGUPXSA-N	244.378	4.576	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@H]1CC=CCC1	402302682	CXSCDNOPZOOKNP-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
C1CCC(CCCC2CCC2)(CNC2CC2)CC1	688834358	FDWLVSNQZNTDPJ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H](N[C@H](C)CC1CCCCC1)c1ccccc1	689870422	RICGYJNNRWSQSU-CABCVRRESA-N	245.410	4.696	0	10	BJAE	
CCCCCC[C@@H](C)NCC(C)(C)CC(F)F	694001431	PDEKSDQLQVPDDL-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H]1CCCC2(CC2)C1	695972770	UOKJADODEMYZDT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1cccc(C)c1C	696660882	SLLDNZFPBPVXQV-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
CCCC(CCC)C(=O)CC(C)(C)C(C)(F)F	697033274	UQQPZIPTFKOHMZ-UHFFFAOYSA-N	248.357	4.843	0	10	BJAE	
CCC1CCC([C@@H](CCC=C(C)C)NC)CC1	697758691	DYOVTKKDRRHLMB-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NC1C[C@H]2CC[C@H](C1)C2	697961710	DKMBSXZDBOKAPL-JKQORVJESA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C1CCC(O)(CC2CCC2)CC1	703859133	FTHFFBRSFCQARO-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(N)CCCC23CCCC3)C1	704448022	UTUNBMBBAQAODW-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@@H]1C[C@H](C)CC[C@H]1CNC1CC1	704848385	LNHFNIRWMVGANK-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
Cc1cc2nc([C@H](C)CC(C)(C)C)[nH]c2cc1C	709134530	SGOSKSNGEQFJQR-GFCCVEGCSA-N	244.382	4.719	0	10	BJAE	
CCC[C@@](N)(C[C@@H](C)C(C)(C)C)c1ccccc1	710759289	FAZAZBJHSGAGTM-RHSMWYFYSA-N	247.426	4.713	0	10	BJAE	
CCC[C@H](CCC(C)(C)CC)CNC(C)C	711277314	HDGJHVFTSIZVBJ-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H](C)CC1CCCC1	712533065	GEZYCPNSIRUUQR-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CC(C)(C)CC)CC1	713167756	HXFYHAYQHSKTNS-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)c1ccc(C)s1	713697582	UTVAFWMAHYCKEE-AFNCTOJWSA-N	249.423	4.620	0	10	BJAE	
CC/C=C/C[C@H](CC)c1ccc(OC)cc1	714522614	SNKAYKADPNLOKC-YBJDMEARSA-N	218.340	4.545	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)CC[C@@H]1C[C@H](C)CC	717466320	QSIYNTDPKGGWCN-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(CCC(C)=C(C)C)c1	718749161	AUZZAOVJWAPGCZ-UHFFFAOYSA-N	202.341	4.538	0	10	BJAE	
CC(C)=C(C)CCC(=O)Cc1ccc(C)c(C)c1	719176481	XVVCFRQEANGDTK-UHFFFAOYSA-N	244.378	4.552	0	10	BJAE	
CC1(C)CC(Cn2ccc3c(Cl)cccc32)C1	723547131	FPVXNENFRGLKTF-UHFFFAOYSA-N	247.769	4.731	0	10	BJAE	
CCCCCC[C@]1(O)CC[C@@H]2CCCC[C@@H]2C1	723649063	XYYUILAMOWIBNV-XHSDSOJGSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc(C)c(OC)c1	821910010	VEMJURGLNLIIEL-OCCSQVGLSA-N	249.398	4.630	0	10	BJAE	
CC(C)N(CCC1C[C@H](C)C[C@@H](C)C1)C(C)C	1168422703	AJTMBKXSRFTTSY-HUUCEWRRSA-N	239.447	4.568	0	10	BJAE	
c1ccc2c(c1)CCC[C@@H]2SCC1CCC1	1640876638	DREYUHPUWBZSCP-HNNXBMFYSA-N	232.392	4.597	0	10	BJAE	
c1ccc(CCCSCCCC2CC2)cc1	1651807359	GBZGVFJSDAQXHJ-UHFFFAOYSA-N	234.408	4.543	0	10	BJAE	
CC=CCC[C@@]1(C)CCCCC1(F)F	1887877259	GFWNRFUAIZEMFG-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
CS[C@H](C)C(=O)CC[C@H](C)CCCC(C)C	1899733883	JUWBZPZRCAQRNF-CHWSQXEVSA-N	244.444	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CC[C@@H](C)CCC1=O	1905346543	MWYMOJPKXDNUJE-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1cc(C)c(C)s1	1905380659	HCIOCJDGFLFJNO-QWHCGFSZSA-N	240.412	4.615	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC(CC)CC)NC	1905441866	BFIWNFFBXAADND-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](C[C@@H](CC)CCC)NCC	1905444201	KWLLBYIWNPMHBQ-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCCC=Cc1ccccc1	1912013303	LZVKULKXLJLUMG-OAHLLOKOSA-N	245.410	4.504	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1CC2(CCCC2)C1	1912604707	NPMCJXFAXUEDRU-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@@](C)(O)c1ccc(C(C)(C)C)cc1	1919631944	UKPDVUVTXNOOOC-SUMWQHHRSA-N	248.410	4.628	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CC(C)(C)C(C)C	1919960828	PMSLCMPOMBEWBU-UKRRQHHQSA-N	228.420	4.636	0	10	BJAE	
CCCC1(N)CCCCCCCCCCC1	1920491281	OICXFSBPKLAWJR-UHFFFAOYSA-N	225.420	4.789	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	1921540213	CBJCCVRLQWDYFI-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H]2C=CCCCC2)C1	1925769691	UERREEZSXJFVEE-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(C[C@@H]2C=CCCCC2)C1	1925946697	VRMKERCNRHUMGH-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CCCC1(C)CCCCC1)NC	1935625909	RTQFXYGHIMIFBX-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)CCCCCC1CCC(C)(N)CC1	1935901801	YLUBLHIURYYNCI-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H](CC)C(C)C	1936208633	JCDSEMIUAIFLDE-ZIAGYGMSSA-N	226.404	4.844	0	10	BJAE	
CCCCC[C@H](O)c1cccc2sccc12	1938281194	WATOIJSNHIVXIM-ZDUSSCGKSA-N	234.364	4.515	0	10	BJAE	
CCC(C)(C)CC[C@](C)(F)c1cccc(N)c1	1940971855	WCHLRXRTSPBGPM-HNNXBMFYSA-N	237.362	4.670	0	10	BJAE	
CCC1(C[C@H](O)[C@H](CC(C)C)C(C)C)CCC1	1941243221	KAMJIIKBOKILNL-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)[C@@H]1CCC[C@H](CC)C1	1941262677	IAFPEYOFGVWUID-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H]([C@H](C)CCC(C)C)C1	1942654468	ARAGWHQFWUYDRR-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CCC12CCCCC2	1942657044	NIVRLWHWRJDQIE-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CNC(C)C)CCCC1(C)C	1944479015	XYHQLYJVHDPOJV-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C(C)(C)C(C)C	1944681647	VOMFKXVUOMBZQU-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C[C@@H]1CCC[C@H]1C	1944848355	DMDJALBNRDWDOB-QXSJWSMHSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H]2[C@@H](C)[C@H]2CC)cc1	1945662252	AVHGQRUITQLEAL-YXAMBPQSSA-N	232.367	4.623	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@H]1CCCC2(CCCC2)C1	1946455934	RFTFSMYAMJEXOJ-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1ccccc1NC1CC2(CCC2)C1	1946640268	FLOPLBNIGXROBH-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNC(C)(C)CC(C)C	1946970755	GRFFLKWCACRHGX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@H]1C=CCCC1	1947593266	PHUMKVLFQUTKGR-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCCC2(C)CC2)CC1	1949055148	PNECOYIWNOICLH-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC1CC2(CCC2)C1	1949837021	GGQQGIXGGXUWHH-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)CCC(=O)CC1CCCCC1	1949908116	VFOZLVJSVNMWLB-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H](C)c1ccc(C2=CCCCCC2)s1	1950560537	PJSFPHLOUZJARZ-GFCCVEGCSA-N	249.423	4.766	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](O)C2CCCCC2)CC1	1950913281	GBOKDXCQIYPFFP-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](C)NC1CC2(C1)CC(C)(C)C2	1950988673	NGXXVODCUBNPPB-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1NC1CCC2(CCC2)CC1	1967790280	ICSKATPXVFEIMZ-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@H]1CCC[C@H]1C1CC1)C1CCCC1	1967853499	QRPJANHTAIVVPB-ULQDDVLXSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NC2C[C@@H]3CCCC[C@H]3C2)cc1C	1968255051	QHOUMRUCIJASBR-GJZGRUSLSA-N	243.394	4.684	0	10	BJAE	
Clc1cccc(NCC2[C@H]3CCCCC[C@H]23)c1	1968262324	IXFYFSPBOOPNQF-KBPBESRZSA-N	249.785	4.578	0	10	BJAE	
Cc1sc(-c2cccc(F)c2)nc1C(C)(C)C	1968394669	BRERUPFUMOGMEX-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CCC[C@H](C)C2)c(C)c1	1968395814	BAPPYMJOQFCRES-BBRMVZONSA-N	246.394	4.899	0	10	BJAE	
C[C@H]1CC[C@@H](COc2cccc3sccc23)C1	1969667015	KIWIIUFDSUMDTD-NWDGAFQWSA-N	246.375	4.716	0	10	BJAE	
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CCC[C@@H](C)C[C@](C)(N)C1(C)CCCCC1	1975575187	SIHOWTJBOAXHMK-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
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CC(C)CCCC[C@H](N)c1cccc(Cl)c1	1980685860	WHUYAMPDKQJSAC-AWEZNQCLSA-N	239.790	4.556	0	10	BJAE	
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CCC[C@H](C)C[C@H](N)c1cc(C(F)F)cs1	1983699653	UKNBTCGOWORCCR-WPRPVWTQSA-N	247.354	4.512	0	10	BJAE	
CC=CCCCCC[C@H](CCC)NCCC	1984632070	IXWPCPQTIBBYLM-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
C1CC[C@H]2C(CC3CC(=C4CC4)C3)[C@@H]2CC1	1985531646	YRFRFBUFSBCURS-HUUCEWRRSA-N	216.368	4.703	0	10	BJAE	
CC(C)(C)CCC(=O)C1(C(C)(C)C)CCC1	1989452578	AMGOCGPBTDZIIY-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
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CC[C@H](C)CCNc1ccccc1SC1CC1	1996538821	VAILUHCGMDCVJE-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CCCC(C)(C)[C@H](NC)[C@H]1CCC[C@@H](CC)C1	1996612388	YCTDYVMZAPRHRP-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1cccc(C(C)C)c1	1996614276	BBUNQSINTKWVLZ-OAHLLOKOSA-N	233.399	4.636	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H](C)CC(C)(C)C	1998388023	WVRKHPAGNWAXEI-ZIAGYGMSSA-N	237.431	4.680	0	10	BJAE	
CC(C)C[C@H]1CC[C@]1(O)CCCCCC1CC1	1998745701	ZHAZUYATHYPEMX-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
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CCCC[C@](CC)(CN)[C@@H]1CCCC[C@@H]1CC	2000501715	HGIFLCZKJHCUGM-ARFHVFGLSA-N	239.447	4.748	0	10	BJAE	
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C[C@@H]1CC[C@H](CNc2cccc3ccccc23)C1	2040120852	QNUVGIZEOHRCAO-KGLIPLIRSA-N	239.362	4.688	0	10	BJAE	
CC[C@@H](NC[C@@H]1C=CCC1)C1CCC(C)(C)CC1	2040682721	DSPROGWGZHBPIR-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
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CCCN[C@@H]1CCC[C@@H]1C[C@H]1CCC=CCCC1	2045329679	PYCQAZWMHAIAKD-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
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CC1(C(=O)C[C@]23CCCC[C@@H]2C3)CCCCCC1	2074111718	FIPHSLOCLBAOKH-RHSMWYFYSA-N	248.410	4.886	0	10	BJAE	
CCC1(C[C@]2(CNC3CC3)CCCC[C@@H]2C)CC1	2074623986	MKMLYKCLZMKKNX-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@@]2(CNC(C)(C)C)CC=CCC2)CC1	2074626988	PZQZREHGJHMLEZ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@H](CC)N(C)Cc1ccccc1C	2074788410	GIVCWSJZPGBNID-QGZVFWFLSA-N	247.426	4.786	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@H]1C=CCCCCC1	2074801020	ANQOHCFGBNJEFK-RDJZCZTQSA-N	243.394	4.568	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccccc2C2CC2)o1	2077262085	LPGJFOSXOLRUHO-GFCCVEGCSA-N	241.334	4.639	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1C[C@@H]1C1CCC1	2079331788	GOYDMUPKTNMQQC-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](CCC1=CCCCC1)NCC	2079441164	DVRKBFFBOWQLAJ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1cccc(C2CCC2)c1	2079639285	HTFKITFNRDGAKM-GDBMZVCRSA-N	243.394	4.802	0	10	BJAE	
N[C@@H](CCC1CCC1)[C@H]1C[C@H]1C1CCCCCC1	2079817274	CSSAXJYDNZZPSM-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H]1C[C@H]1C(C)C	2079850239	DMXKTJCPBIBXHZ-HOCLYGCPSA-N	244.378	4.504	0	10	BJAE	
C[C@@](N)(C[C@@H]1C[C@@H]1C1CCCC1)C1CCCCC1	2079882852	AXRZYRJSJUAKPP-USXIJHARSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H]1CCCNC12CCCCC2	2083815641	IIULJALXILMENK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1ccc(C)c(C)c1	2086045734	YYVUSZXEQGPYMB-SUMWQHHRSA-N	248.410	4.943	0	10	BJAE	
CCCCC[C@@H](CC)O[C@H](C)c1cccc(N)c1	2086294965	IARCZFQUEYIKSM-CZUORRHYSA-N	249.398	4.705	0	10	BJAE	
CC[C@@H](C(=O)CCCCCCC1CC1)C(C)C	2213583415	RPVXZVAHVLBDNK-OAHLLOKOSA-N	238.415	4.988	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@@H](C)c2cccs2)CC1	2215824524	UGZUDWGFCUTVFT-DZGCQCFKSA-N	249.423	4.535	0	10	BJAE	
CC1=CC[C@](N)(CCC(C(C)C)C(C)C)CC1	2215835895	UMDVHZVRQMSJLF-MRXNPFEDSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(C)CN[C@H]1CCC[C@H](C(C)(C)C)C1	2216256577	IICCNZHTNKOMOG-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
N[C@@H]1CCCCC[C@@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218367656	SEBADABXJFICRF-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
C[C@]1([C@@H](N)CCCCCCC2CC2)CC=CCC1	2218721535	SGJFFXYOODNLCD-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)[C@@H]1CC12CCC2	2218721840	VZXBOLXBJXUCJN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C(CCC[C@H]1CCC2(CCC2)NC1)CCC1CC1	2218726930	PFNIHKFMCNWZKS-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](CCCCC1CC1)c1cc(C)oc1C	2220044370	IBUJGAMGJAOMBB-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C1(C)CC2(CCC2)C1	2221006101	JXEFCQACYRMZRK-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2(CC3CCC3)CC2)C1	2221090278	KUXQHHOMROVWCC-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C(C)(C)C1CCCC1	2222009932	WPMCJJXKADMCCH-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
C(CCCC1CC1)CCCN1CC[C@@H]1CC1CC1	2223118860	NKKHPNDKOMCVMQ-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@H](O)CC[C@@H](C)CCCC(C)C	2244841443	OZJXKQNUMDUABI-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
Cc1scc(C(=O)C2CCC3(CC2)CC3)c1C	2246372149	UKUKKBMXNSNYMN-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@H](CCC[C@@H]1CCC[C@@H](C)C1)NC	2246667233	PCVABJYHFJCBKD-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC1([C@H](O)CC[C@H]2CCC[C@H](C)C2)CCC1	2246696543	RTCVYUAVHKDXOJ-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](O)CC1CCCC1	2247129435	OHZSGCXRIIZBJG-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCCN(CCCC[C@@H]1C[C@H]1C)[C@H](C)CC	2247159738	PBNQVPFAIJWCAE-BZUAXINKSA-N	239.447	4.713	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@@H]1C)C[C@H](C)CC	2247171585	LXHHIQAEORGJHU-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC1(CCC[C@H](N)c2csc(C3CC3)c2)CC1	2248045298	UORRBWKALHNHFM-ZDUSSCGKSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)c1csc(C2CC2)c1	2248074205	MXRYYVCRCSRSJM-NWDGAFQWSA-N	248.391	4.635	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CCCCC[C@H]1C[C@@H]1C	2248805188	FKDWVMNCZXTYHC-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)CCCCC[C@H]1C[C@H]1C	2248845275	PQGSXPRQBPYEPG-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)CCC(C)(F)F	2248846296	SVJJYPTXLBLLFF-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC(C)(C)C(NC1CCC=CCC1)C(C)(C)C	2249285801	GUGWIDYNJBGULV-UHFFFAOYSA-N	237.431	4.536	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCC1CCCC1)NCC	2250351223	AYOINRRXXRNIIZ-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](C)C1(C)CCCCC1	2250385864	SUSDWRUOWLHLPD-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
O=C(CC[C@@]12CCCC[C@@H]1CC2)c1cccs1	2251146986	WBXLIEFADCMFHG-DOMZBBRYSA-N	248.391	4.681	0	10	BJAE	
Cc1csc(C(=O)C[C@@]23CCCC[C@@H]2CC3)c1	2251154009	MZXPZVJZKRHVJQ-DOMZBBRYSA-N	248.391	4.600	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CCC1CC(C)C1	2251770339	HJAUKCTUAJXZES-PFSRBDOWSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(-c2nc(C3(C)CCC3)cs2)cc1	2252754846	QXTJYJXRWLYRIV-UHFFFAOYSA-N	243.375	4.560	0	10	BJAE	
CC[C@@H](C)c1ccc(O[C@H](CC)C(F)F)cc1	2253074054	QUIFOPCPKSZDKJ-ZWNOBZJWSA-N	242.309	4.623	0	10	BJAE	
CC1=CCCC[C@@]1(O)CC[C@@H]1CCCCC12CC2	2253888414	GBMTZORNMRTZIY-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CCNCC1(CC[C@@H]2CCC[C@H](C)C2)CC=CC1	2253936557	FHLLRFBCIUOFKU-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC23CCC(CC2)CC3)C1	2253963255	OVXCAKQMDAHEBK-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)cc1NCC1CC2(CCCC2)C1	2254085000	XFDZAKPNOSIDQK-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CC1CCC([C@@H](N)CC2CC3(CCCC3)C2)CC1	2254112444	FXYHYCREYYUXDH-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C1(C2CC2)CCCC1	2254505822	NXXDDWHSPAVAMF-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1CC2(CCC(N)CC2)C1	2254521439	LDPDQWBCZCQHOK-MXAKUGKZSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cc(C=O)cc([C@H]2[C@H]3CCCC[C@H]32)c1	2254717837	DIOVHRWCJARSIV-BJWYYQGGSA-N	242.362	4.526	0	10	BJAE	
CCc1ccccc1OCC[C@H]1CCCC12CC2	2255312089	XNIKMLOCBFPWCO-OAHLLOKOSA-N	244.378	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](C)(N)[C@@H]1CC12CCC2	2257317945	AOSSSFMLRKNQJF-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@H]2CC[C@@H](F)C2)c1	2257959160	GXKCXELHQRNEPV-GXTWGEPZSA-N	249.373	4.534	0	10	BJAE	
CC1CC2(C1)CC(C[C@@H](N)CCC1CCCC1)C2	2259569546	NBDYGSPDMULVOP-LYOOIAODSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@]23CCC[C@@H]2CC3)CC1	2260599121	DHBGRIXTGSIBNF-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@@H](N)c1cccc(C2CCCC2)c1	2260722503	AEFAUQJHGUDJFL-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CC(C)CCCNCc1cccc(C(C)(C)C)c1	2261408329	HTSJDNCIOCJQIP-UHFFFAOYSA-N	247.426	4.510	0	10	BJAE	
CCC(CC)CCN(C)c1ccc(C)cc1C	2300698363	ZPUIBJZFJFQDSG-UHFFFAOYSA-N	233.399	4.566	0	10	BJAE	
CCC(C)=CC[C@H]1CCCCCCCC[C@@H]1O	2300868391	YMURVDKXCHVNTR-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CC(=CC[C@@H](N)C1(C)CCC1)CCCC(C)C	2300876177	CWDIIUIKNGEJKT-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](C)[C@H](C)CC=C(C)CCCC(C)C	2300902523	VKNYEEMLUYIQJO-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CCNC[C@@](C)(CC1CCCCCC1)C(C)C	2301244986	QYMATLGLARIAJL-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N(C)C1CCC(C)(C)CC1	2301985119	XQEBRRMISOKDCG-ZIAGYGMSSA-N	239.447	4.568	0	10	BJAE	
Cc1cc(CC23CC4CC(CC(C4)C2)C3)cs1	2302250008	SQUOYGVGWVMCGV-UHFFFAOYSA-N	246.419	4.815	0	10	BJAE	
Cc1cc(CCCC2=CCCCC2)ccc1F	2302347364	QDXBTEHLIVOPLF-UHFFFAOYSA-N	232.342	4.957	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CCC(C)(C)C1)C(C)(C)C	2302878568	QJVWUNFQKIEJJI-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CCc1cscc1N[C@H](C)[C@@]12CCCC[C@@H]1C2	2302888743	BVNYTCAFRCRJNF-KYOSRNDESA-N	249.423	4.691	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303503947	QLTDARPZMFFTJI-BYNSBNAKSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@@H](O)CC[C@@H]1CCC(C)(C)C1	2304351708	KGCUQIHWHCPVPW-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CC(C)c1cccc(-c2c(F)ccnc2Cl)c1	2304365396	XCHAKYMUDREWPA-UHFFFAOYSA-N	249.716	4.665	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](O)CCCC2CC2)C1	2304387709	PVPAORLWKNSUTE-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](N)C12CC(CC(C)C)(C1)C2	2304393802	KLBVKFWHILMPSZ-FHERZECASA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1c1nc(C2CC3(CC3)C2)cs1	2304452145	FDCIQSZKADBEND-LLVKDONJSA-N	247.407	4.704	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)C2(C)CC2)c1F	2307573363	DEKHNWFIIPTKNP-NSHDSACASA-N	235.346	4.550	0	10	BJAE	
CCC(C)(CC)c1nc([C@@]23CCC[C@@H]2C3)cs1	2307689140	SIRLWRPIOVVYSD-IAQYHMDHSA-N	249.423	4.662	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2308397842	YHZXIZDMZZKJFQ-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C[C@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCCCC1	2309145406	HGYKPUOUFDYNTJ-ORQFMDKSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C[C@@H]1C[C@H]1CC	2310970805	JRGMTUCISDKUHH-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2311525728	DYGLVJBLYJSCJO-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)C[C@@]12CCCC[C@@H]1CC2	2313343976	LKDXPVBRSGRLGB-PVAVHDDUSA-N	249.442	4.502	0	10	BJAE	
N[C@]1(CC2CCCCCC2)CCCCCC12CC2	2316886162	PMISUFVMIGJARG-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1C[C@H]2C=C[C@H]1CCC2	2317118046	FTYVWFIHZILQEE-VQHPVUNQSA-N	249.442	4.680	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317144471	YLWLLWTXDQVIDE-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@]12CCC[C@H]1CC2	2317946515	XAOCLGSJRVGRAO-RDJZCZTQSA-N	246.394	4.807	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCCC2=CCCCC2)C1	2318532488	YYJILELAIAHZIB-RDJZCZTQSA-N	249.442	4.825	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@@H]1CCCC12CC2	2318588421	ZHRRRKSOGWJZAO-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](CCCC1=CCCCC1)NC	2318592255	HAKPXQHNKPJIEH-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@@H]1CCC2(CC2)C1	2320221021	FBDBVVRGFNEHKO-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(OC[C@@H]2CC[C@@H]2C(C)(C)C)cc1C	2320254319	QBQZMADQZHWPHC-HOCLYGCPSA-N	246.394	4.755	0	10	BJAE	
Cc1ccc(N(C)C[C@@H]2CC[C@H]2C(C)(C)C)cc1	2320298619	MSXIVMLPYJJCII-GOEBONIOSA-N	245.410	4.504	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)C[C@@H](C)C1CC1	2320400370	YRGUVIYPTJRJIB-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@@H]2C=CCCCC2)CC1	2320411987	MOUDNRNPLYHECZ-IAGOWNOFSA-N	247.426	4.554	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](C[C@H]1CCC(C)=C(C)C1)NC	2320421847	DLZFPMQKKNSMBV-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C2[C@H]3CCCC[C@H]23)C1	2321614122	RRGAYQBRBLLACT-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)C1	2321636280	HIONKLHIRACGHK-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CC(CCC(C)C)=C1CCC([C@H]2CCNC2)CC1	2327905536	NASJYXSWQLOIJY-DJNXLDHESA-N	249.442	4.539	0	10	BJAE	
CCCc1ccc([C@H](N)C[C@@H](CC)CCC)cc1	2328276531	RBOUAFSTYZSCNS-WMLDXEAASA-N	247.426	4.855	0	10	BJAE	
CCCCc1ccc(-c2ccc(CC)cc2)cn1	4645896	TZTYUDLNPDZOLN-UHFFFAOYSA-N	239.362	4.654	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)CCC(C)C	20520186	CFMNCQDRDNUZBW-LSDHHAIUSA-N	227.436	4.760	0	10	BJAE	
CC(C)=CCN(C1CCCCC1)C1CCCCC1	34456439	YUTIFEAVZYDTPT-UHFFFAOYSA-N	249.442	4.920	0	10	BJAE	
CC(C)c1cc(Cl)c2cc(Cl)ccc2n1	36912926	PLZRCNWQAWELFA-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
C1CCC([C@@H]2CCCC[C@@H]2NCC2CCC2)CC1	37253687	WTOLJCWHFHZSPA-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(Cn2ccc3ccccc32)c(C)c1	41304477	FUSHTXNJHSYERP-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(CC)cc1	68985598	ZJVFIYMPJDIPAI-AWEZNQCLSA-N	219.372	4.630	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)[C@@H](C)C(C)C)cc1	70122561	GUUSPWAIFNEYPO-OLZOCXBDSA-N	232.367	4.675	0	10	BJAE	
CCN[C@H](c1cccc2ccccc12)[C@H](C)CC	70943399	NBZBINNRWYTOFP-DYVFJYSZSA-N	241.378	4.537	0	10	BJAE	
CCCC[C@H](CC)c1nc2c(C)cccc2[nH]1	80059659	VMEOVDSNTYGYRB-LBPRGKRZSA-N	230.355	4.555	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)C1CCC(C)(C)CC1	87942770	KKODMJOUWCWNMM-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@@H](CC(C)C)NCC)CC1	87963852	WXTWGAXDEZMWPS-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H](C)C(C)(C)C)s1	88047306	VFZZVAIRXSGPKV-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
Cc1cccc(CNc2c(C)cccc2Cl)c1	90496557	GDHRCAJGXOJYFY-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CCC1([C@H](O)c2c(C)cc(C)cc2C)CCCC1	94906750	AWEVKBNBHVLVLO-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)C[C@@H](C)CC	104010763	FTCZNXOTLWHRDJ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC/C=C\C[C@@H](C)c1cccc(C)c1C	107480793	HJBHWFVIUWDZPA-FMFIFOJESA-N	202.341	4.763	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CC2CCCCC2)cc1	109712269	GQOCCOZDFKXXCE-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)c1ccc(C)c(C)c1	111664480	BYMGCGKIGFJJKZ-LSDHHAIUSA-N	247.426	4.779	0	10	BJAE	
CC[C@@H](Nc1ccc(F)cc1)c1ccccc1F	122460285	GSPRVSIKHOBFCN-OAHLLOKOSA-N	247.288	4.528	0	10	BJAE	
CCCc1ccc([C@@H](C)N[C@@H](C)C(C)(C)C)cc1	122499962	YPBQYWNCOTUYIF-KGLIPLIRSA-N	247.426	4.724	0	10	BJAE	
F[C@@H](c1cccc2c1NCC2)C1CCCCCC1	135506318	IBLJBLJLZIAWQN-OAHLLOKOSA-N	247.357	4.636	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)c2ccc(C(C)C)cc21	136925556	MKLJGGDYJICCKC-SUMWQHHRSA-N	245.410	4.748	0	10	BJAE	
CCC(CC)C[C@]1(N)CCCC[C@@H]1C(C)(C)C	147963932	VVSZLCOFEXHTHW-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)c1ccccc1	158137700	RPMJYZAXEMIRLE-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
CCC(CC)Nc1ccc(C(C)C)c(C)c1	166059943	JEFIHWHTGFURPR-UHFFFAOYSA-N	219.372	4.719	0	10	BJAE	
C[C@@H](C[C@@H](C)c1ccccc1)c1ccc(N)cc1	200768327	UQBLZEMLNNWLHW-KGLIPLIRSA-N	239.362	4.566	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@@H]2C(C)C)c(F)c1	214483691	BMDIFJMUQPYWIH-UKRRQHHQSA-N	249.373	4.761	0	10	BJAE	
CC(C)Cc1sc2ccccc2c1Cl	216699157	FQNQPCWOSJFBOD-UHFFFAOYSA-N	224.756	4.753	0	10	BJAE	
CCN[C@@H](C(CC)CC)[C@H]1CCCCC1(C)C	226866566	NNDIBCVJVZDMHA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C[C@@H](CC)CCCC)NC	228741427	LYERKLFTKATEBG-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)[C@H](C)CC	228812617	GJDVOIUGTMRTLX-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)C(=O)C1CCCCCC1	229435888	VVRSTJFLSZJOSI-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
c1ccc(C2CCC2)c(-c2ccc3c(c2)NCC3)c1	229616546	PHAFXEOQKUTKKQ-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CCC[C@@H](CC(C)C)C1	230770449	QRBSRICCJUVARJ-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCC[C@@H](C(C)C)C1	230986296	IJWKTRKGXZZMBM-UKRRQHHQSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H](C)c1ccc2oc([C@H](N)C(C)C)cc2c1	232359503	URONRAAHTVPIKE-BDJLRTHQSA-N	245.366	4.602	0	10	BJAE	
CN[C@@H](c1cccc(C)c1C)C1(C)CCCCC1	234457389	UYVSLEFNVLYPPI-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1	251722551	RYLVUFWWOUXZFY-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCC[C@H]2C)CC1	251869967	UIHAUUYDDGLFAD-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC[C@@H](N)c2ccccc2)C1	252101132	IKJOGECLVIWDQC-WBTNSWJXSA-N	245.410	4.539	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1C	302266927	GNJLDRKRYWGQFA-HACGYAERSA-N	245.410	4.794	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC(C)(C)C2)cc1C	302308133	NJIJQATXGNWXBV-OAHLLOKOSA-N	231.383	4.548	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@@H](CCCCCF)C1	304386207	LQDPJTSLBWPYRR-STQMWFEESA-N	242.378	4.548	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)c1ccc(C)cc1C	305900016	ANLJILLGCCEWLX-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
Cc1cc2c(Cl)csc2cc1Cl	306597390	OGQCCKSDHTWWTE-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCc1cc(Cl)cc2c(Cl)csc12	307622834	LRFGPZYDEVDEEU-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
Cc1cc(C)c2nc(-c3cccs3)sc2c1	309406220	VRLHWILGSVOUAJ-UHFFFAOYSA-N	245.372	4.642	0	10	BJAE	
CC(C)(C)CCCC(=O)CCCc1ccccc1	310575117	KJLVXYVRVKWZIT-UHFFFAOYSA-N	246.394	4.795	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C(C)(C)C(C)(C)C	310586392	VXYJBBDRGBGWJH-KBPBESRZSA-N	241.463	4.993	0	10	BJAE	
CCCC1(CN[C@@H](CC)c2cccc(C)c2)CC1	310611958	CVZMMZPNQNEDSP-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@H](CC)CCc1ccccc1C(C)C	310803105	DVWSTTWHDSVAKL-MRXNPFEDSA-N	247.426	4.521	0	10	BJAE	
C1CCC2(CC1)CCC[C@H]2NCCC1CCCC1	313008407	IFVZXQLRUNHSTJ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CNCC1(CCC2=CCCCC2)CCC(C)CC1	317721239	LEBYPFMHFASCPU-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)=CC[C@@]1(CNC(C)C)CCCC[C@H]1C	317970360	TYDDLLCTUXSFIK-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@]1(N)CCCC[C@H]1C)C1CCCCC1	380174686	XNKIWCCBJYUHIG-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H]1CCCC1(C)C	383295351	RRUNXBXOWGRGHM-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@H](C)C[C@H]1C	383555426	RBDKNDYTQMZBRB-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCC1(CC(=O)C2CCCCCCC2)CCC1	383872390	HYYMDDJRZOCOOC-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
Cc1ccc(C(=O)CC2CCC(C)CC2)cc1C	385228042	FTEGGEWEVDFQFF-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC(C)CCCCCNCC1(CC(C)C)CC1	391956274	IXYCOSVPNPSIRG-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)c1csc(-c2ccccc2F)n1	393853076	OOANYEGFZVGYKC-UHFFFAOYSA-N	249.354	4.637	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1cc2ccccc2o1	395232874	QKGBZPMORAWFKW-OAHLLOKOSA-N	246.350	4.683	0	10	BJAE	
Cc1cc2c(C)cc(C(F)(F)F)cc2s1	396192724	FLKONDDZAKRZLL-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
Cc1csc2c(S)c(C(F)(F)F)ccc12	396311774	YCVCDKOXZXWQKT-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
C[C@@H]1C[C@H](CCC2CCC2)c2ccccc2N1	398626388	IAMOQNNHMNJAKI-OCCSQVGLSA-N	229.367	4.555	0	10	BJAE	
O[C@@H](CCCC1CC1)c1csc2ccccc12	406027902	KVAQUGDNXKUVCH-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CCCCCC[C@@H](O)c1cccc(C(C)C)c1	688924057	BUUALWBROMJTAC-MRXNPFEDSA-N	234.383	4.814	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)[C@@H](C)C1CC1	688964965	PBYVHTQOADONGS-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cl/C=C/CNc1cccc(-c2ccccc2)c1	689688656	YLEQGYCMHWVANO-BJMVGYQFSA-N	243.737	4.518	0	10	BJAE	
C[C@H](CC1CCCC1)Nc1cccc(C2CC2)c1	690109775	KXIINTDEGBGZOC-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CCN[C@H](C=C(C)C)c1cccc(C(C)(C)C)c1	691654774	UUQATPSSPWKGKZ-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
C[C@H](CNC1CCC2(CCCC2)CC1)C1CCC1	692901108	WZTWDJRUDCRYHI-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)Oc1ccc(C(C)(C)C)cc1Cl	694960939	POAVEIKLBQDDNK-UHFFFAOYSA-N	240.774	4.815	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1CCCC2(CC2)C1	695688320	HDTLVVFGHBMFKT-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)CC(C)(C)CC	696245991	BNRLQDWNBRKCTC-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1csc(C)c1C	696644320	IKSMRNDNTFQBTG-CYBMUJFWSA-N	240.412	4.615	0	10	BJAE	
CC(C)=CCCc1ccsc1C(F)(F)F	698007052	HDTYTMKOPKIHAT-UHFFFAOYSA-N	234.286	4.666	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC2CC3(CCC3)C2)CC1	700793792	JWPBKURCZQPTQU-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C1CCC(C(C)C)CC1	701131142	KIMZKGPWTIGPMV-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](C(C)(CC)CC)C(C)(C)C1CCC1	701255655	LPWDKVLJFXXOLR-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2CCCC23CC3)CC1	706960160	WEHQLPVUMCGDRH-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H](C)CC(C)(C)C	708271325	QSDDOPFNQQGSHK-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@@]23CCCC[C@H]2C3)cc1	709113401	OGAYRSZEPMOFEJ-KMFMINBZSA-N	243.394	4.630	0	10	BJAE	
C[C@@H](CN[C@H]1CCCC(C)(C)C1)CC(C)(C)C	709132944	YLRMCBUZHAEHNL-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCC1)NC1CCC2(CCCC2)CC1	710202218	AABDWOQFNGFMAA-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](C[C@H](O)c1csc(Cl)c1)C(C)(C)C	710773532	OQDCARWZVLDPDE-WPRPVWTQSA-N	246.803	4.507	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1C[C@@H]2CCCC[C@@H]21	712408919	MEZASVLJXOGRDD-HRCADAONSA-N	243.394	4.548	0	10	BJAE	
CCN[C@@H](CC(C)(C)C(C)C)[C@@H](C)C(C)(C)C	713145311	YPYWBHQHALNFQJ-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC(C)(C)C(C)C	713176285	UOAAPHSLXPCFHS-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCC1(CN[C@@H]2CC[C@H]3CCCC[C@H]32)CCC1	714268017	MCRWPDRNXYZTQR-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC/C=C/[C@H](C)Cc1cc(C)c(C)cc1F	714549960	NVOFWIKSMOPYDM-MLRMMBSGSA-N	220.331	4.587	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@@H]2C[C@@H]2C2CC2)C1	714805196	NBNMNTVRUWGURT-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	716985302	HXBVRFQQZHMZLN-YXWQFLTLSA-N	236.399	4.598	0	10	BJAE	
CCc1ccc(CC)c(NC[C@@]2(C)CC2(C)C)c1	717150204	YOQUFHQWIHTCDL-QGZVFWFLSA-N	245.410	4.660	0	10	BJAE	
CCc1ccc([C@H](CCC(C)=C(C)C)NC)cc1	718515734	XSIDYUWPICXLBR-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1csc(C)c1C	718637186	KVIULXNFYVBZFE-AWEZNQCLSA-N	238.396	4.535	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H](C)CC1CC1	720989786	NBQWJMUCXQZMIP-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C(C)(CC)CC	721692207	LENPTQJYWVKWPF-UONOGXRCSA-N	227.436	4.747	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccc(C2CCC2)cc1	721692960	OVYGYSJYJIBDCD-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@H]1C[C@H]1CC	723128202	UXKAWIOLPMMYCO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N(C)Cc1cc2ccccc2s1	1137686244	DZLOWNCABIFFDF-UHFFFAOYSA-N	247.407	4.522	0	10	BJAE	
CC(C)CCCCNC1CCC2(CCC2)CC1	1461228228	IKHADJHQFVNPGJ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H]1CCC[C@@H]1NCCC(C)(C)C	1654178738	IFLKPECWCVZEMU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)c1cc(Cl)c(O)c(Cl)c1	1889480820	IEQDETXPKIIIGQ-UHFFFAOYSA-N	233.138	4.603	0	10	BJAE	
CCCC[C@](CC)(CCCF)CNCC(C)C	1913254097	UYRAMCUIVKIUBN-OAHLLOKOSA-N	245.426	4.568	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2CCC3(CCCC3)C2)CC1	1916431990	XGQINXQCRMHBMN-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CCC1CCCCC1	1919963976	ZZMJVIGJDPUOKA-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@@H](C)NCC1CC(C(C)C)C1	1921232022	VQCGVUXMPGCZOD-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(CO)C1CCCCC1	1923913870	XXYITRNQPGYJCW-HOCLYGCPSA-N	240.431	4.638	0	10	BJAE	
C[C@H](C(=O)CCC(C)(C)C1CC1)C1CCCC1	1924092694	NGQXFQRZSVVJMG-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CNC[C@](C)(CCCC(C)(C)C)C1CCCC1	1924134705	FEVMESFPTSLMPS-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1C=CCCCC1	1925801149	AFVQIOZVMKXCFD-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
F[C@@H]1CC[C@@H](CC[C@H]2C=CCCCC2)C1	1925821570	WAEORWFBFJZFRB-BFHYXJOUSA-N	210.336	4.651	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1ccsc1Cl	1933837567	QWVCZVFFTIDLEB-LLVKDONJSA-N	243.803	4.538	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CCC(C)(C)C)CC1	1939904505	XOFZKRPPWGITBX-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@H](C)C(C)(C)C	1940414576	JPPOVFDMDGJRBS-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@@H](C)C(C)(C)C	1940882435	JIEFYRUUKJZDBD-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NCC)[C@@H](C)CC(C)C	1941265246	UYMMRCUGMRAEHX-XHSDSOJGSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCCCCC1CC1	1941591612	MVXFLWONZZTOMO-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(NC2C[C@@H]3CC[C@H]3C2)cc(C)c1Cl	1941958149	KUGRZVTUERAPTM-RYUDHWBXSA-N	249.785	4.557	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@H](C)CCC(C)C	1942665656	ZONCRGWZHYOSIA-BZUAXINKSA-N	241.463	4.848	0	10	BJAE	
CC(C)(C(=O)CCCC(F)F)C1CCCCC1	1944647031	RCJUHQSVWYDKIH-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
C[C@H](C[C@H](O)C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944841963	GGFXWBAUMZRBOH-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccc(OC2C(C)(C)C2(C)C)cc1	1946162950	VXGINONDOUSYSH-UHFFFAOYSA-N	232.367	4.623	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)CCC(C)(C)CC)C1	1949016136	FLQSEZCQYHQIGE-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(CO)CCC[C@@H](C)CC1	1950918228	RBPMKGRGJYHCNC-PMPSAXMXSA-N	240.431	4.638	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cc(C)c(Cl)s1	1960260038	ZVIZMUXDBRDSHJ-JTQLQIEISA-N	246.803	4.570	0	10	BJAE	
C1=C[C@H](N2CCCCC3(CCC3)C2)CCCCC1	1966437066	UEMNVECTYDUMHZ-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCC[C@@H]2C2CC2)CC1	1967851032	KNXRWYHQJUEWRA-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)NC[C@@H]1CCCCC12CCC2	1967865108	NVKMZTXSMUGTIG-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(N[C@@H](C)C(C(C)C)C(C)C)c1	1968340160	UAUHKHHUZFMMAD-AWEZNQCLSA-N	247.426	4.978	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@@H](C)c2ccccc2)CC1	1969972662	YAALGTDCMZILDF-ZOBUZTSGSA-N	245.410	4.552	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1N[C@H]1CCCCC12CC2	1972742813	ITRMOEQKYAOVEE-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC(N[C@@H](C)c2ccc(C)c(C)c2)C1	1973589260	GICVWTLVFIPFPG-OOHWJJMZSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@](CC)(CC=C(C)C)CNCC	1978639951	TYAKFKFEZZBZKW-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CC1(CCNc2ccc3sccc3c2)CC1	1984551665	WPOOLOBLGZYCBA-UHFFFAOYSA-N	231.364	4.503	0	10	BJAE	
CC=CCCC[C@](CC)(CCCC)CNC	1984632905	QZZALAOZCGCGPC-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
Cc1cc(OCCC2(C)CC2)c(C)cc1Cl	1989923609	BRVDLJYQIHTPNW-UHFFFAOYSA-N	238.758	4.526	0	10	BJAE	
CCCCCC[C@@H](N)CC[C@H](C)CCCC	1995261163	BKIXLSANOQCJAX-HUUCEWRRSA-N	227.436	4.891	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@](C)(N)C1(C)CCCCC1	1995985399	JGSAFOAROJWXCL-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCCNC[C@H]1CC[C@H](C)C1	1996222912	OKEJSSXJGUKYJV-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@H]1CC=CCC1	1997546875	RBMMDJIZIOHBLK-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@]1(C)CC=CCC1	1997588658	QUSZLDNNFGWXQE-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CCCNC1CC(C)(C)C(C)(C)C1	1997806739	IRLJYHVEALZUFV-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](N)CCC1CCC1)C1CCCCC1	1998030623	SNWFCIFXKFQKRZ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCNC(CCCC1CC1)CCCC1CC1	2000387512	LGELLEUXLWZAOR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1CC12CCCCC2	2001260136	SRYLRLLXLPSYKR-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H](C(F)F)C(C)(C)C	2002434898	CTZAYYHYMAWUAU-JTQLQIEISA-N	248.357	4.699	0	10	BJAE	
CCCCCC1CCC([C@H](O)[C@H](C)CC)CC1	2003109041	RHADXBDSXYLFMS-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCCC[C@@H]1N)C(C)(C)C	2003116208	HMUMGARUBKKOQO-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)CC1(C)CCC1	2003173873	ADPUGHZZUGARDP-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1CCCC2(CC2)C1	2003287534	LBWUOPKIVYSMTN-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](NC)c1ccco1	2003679646	JHJRMFQTZFGUFW-KGLIPLIRSA-N	237.387	4.537	0	10	BJAE	
CN[C@@H]([C@H](C)C(C)C)C1(C)CCCCCCC1	2004922167	FCDZNXWRCPBRQH-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCCCC12CC2)C(C)(C)C	2005564669	QHUOPRMRSHXEFZ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC1CC(C(C)C)C1	2007748482	DARRPPRFPXGYAL-BHDPWAOGSA-N	239.447	4.602	0	10	BJAE	
CCC1CC(CC(=O)[C@@H]2CCCC(C)(C)C2)C1	2007765160	FKFXKFWGAUVIKF-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C[C@@H](C=C1CCCC1)NC)C(C)(C)C	2007934701	MUOQBHDLAZUYFN-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H](CC)CC(C)C	2009628564	NSMBTMPMIVKDST-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CCCCCC1CC(NCC2(CCC)CC2)C1	2009716874	ZCVHXYNTPJWNBS-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC1CC(N)(CCCC2(C)CC2)C1	2009786993	MRSHIHJUKRGKIC-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H]1CCCCCC12CC2	2011273362	AUPMEJXUUQCEMQ-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCNC[C@@](CC)(C[C@H](C)C(C)(C)C)C(C)C	2012421001	HMCPINGZHMVYEG-GOEBONIOSA-N	241.463	4.721	0	10	BJAE	
CCCC(CCC)[C@H](O)CC(C(C)C)C(C)C	2015279575	YCPWLZXUQFKQIB-MRXNPFEDSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(CC(=O)C1(C(C)C)CCC1)C(C)C	2015386896	NUEIQNBRPRTVLD-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC)CC(C(C)C)C(C)C	2015413303	UISSVERZWKMGKR-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CC(C)=C[C@H](C)C2)CCC1	2015599103	GPOKZFDDLZBQIK-JSGCOSHPSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CC1(CCC)CCC1)[C@H](C)CC	2015642648	SLNWAKCPANZMQW-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC1(C(C)(C)C)CCC1	2017112675	QFLVEEPVMLZALU-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CC(C)C1(CC(C)(C)CNC(C)(C)C)CCC1	2017139877	ANHYXGYHWBSYSU-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)C[C@H](C)CC)CC1	2017728608	NLXOTQIYOKEBMV-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(C[C@H](C)CCNCC)CC1	2017738426	ORDSOVPLCGHPIV-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCCC1(C[C@@H](O)CC2CCCCCC2)CC1	2018965136	OLBPXQKQRHJCJS-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)[C@H](C)N(C)C1CCCCCCCC1	2019383770	FJPFSFHTYLLEKV-CABCVRRESA-N	239.447	4.856	0	10	BJAE	
CCCC1CCC(O)(C[C@@H](C)C2CCC2)CC1	2019767226	LAWLIAYLGOWYCY-VQCLRJIVSA-N	238.415	4.534	0	10	BJAE	
CCCN(C1CCCCCC1)[C@H]1C=CCCC1	2020499998	ADJJTYBVIXMSLX-INIZCTEOSA-N	235.415	4.530	0	10	BJAE	
CCN(C1CCCCCC1)[C@@H]1CCC(C)(C)C1	2020506493	RXOURBDGMXIOHF-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CC[C@](C)(O)CC[C@H]1C[C@@H]1C1CCCCCC1	2022528631	JSOLXYOGXWMKMH-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CC(=O)C1CCCCCCC1	2022557395	NZYQUYGWQYXNRH-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CC(=C[C@@H](C)CC(C)(C)C)[C@H]1CC[C@H](N)CC1	2023545153	BURHMPVVTIQSLX-BPLDGKMQSA-N	237.431	4.523	0	10	BJAE	
C[C@@H](CC1(C)CCCCC1)[C@H]1CC[C@H](N)CC1	2023550892	RJTFNJYFLATHCV-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(Cl)c(C2[C@@H]3CCCCC[C@@H]23)cc1N	2023945793	NXLFBRVUEOAHOO-GHMZBOCLSA-N	249.785	4.524	0	10	BJAE	
CC[C@@H]1CC[C@@H](N(C)C[C@@H](C)CC(C)(C)C)C1	2025600217	KYPXABGURSMOQM-RRFJBIMHSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CCC1(F)CCC1	2026169287	HRQSIKAHDVZIQW-KGLIPLIRSA-N	244.394	4.626	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)c1coc(C)c1	2027312422	VRFPOXAPPUYDBV-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CC[C@H]1CC1(C)C	2027824628	DGIPSMQNEWOXEE-XJKSGUPXSA-N	246.394	4.670	0	10	BJAE	
Cc1cc(C)cc(C(=O)CCC[C@@H]2CC2(C)C)c1	2027844223	XVIKNJQMFUZNIV-OAHLLOKOSA-N	244.378	4.703	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NC)c1ccc(C)c(C)c1	2028261310	GVZLWMROJWFPSX-SJORKVTESA-N	247.426	4.636	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C[C@@H](C)C1CC1	2028932130	ZTMLTWUEDZLDPJ-CYBMUJFWSA-N	244.378	4.504	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1cc2ccccc2o1	2029839306	YRQAREYJYRTZKI-WBMJQRKESA-N	246.350	4.539	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H]2[C@H]3CCCC[C@H]32)C1	2032791292	QXSZBDNYAMGICV-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC2C[C@H]3C[C@@H]3C2)CC1	2037143750	RISOPPVDCRRQFO-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2037159378	NGZIJFXEQRPNHV-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
C[C@H](C[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1)C1CCC1	2037161256	YWQSPMFRMVWIKK-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC12CC2)CC1CCCCC1	2038167135	RFFJRMDJVCPVIY-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CC1C[C@H]2C[C@@H]2C1	2038329571	CECSMYCTWZVXBO-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@@H]1CCC2(CC2)C1	2038568138	OKLWIFBFTDBABI-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC=C1CCCC[C@@]12CCNC2	2038645800	PVVWQKAQCSOBQI-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)[C@@H]1CC12CCCCC2	2039079851	VMXNGLUEZJXZHF-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCCC1(NC[C@H]2C(C)=CCC[C@H]2C)CCCC1	2039453088	OQYCBGMYMDURFP-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC[C@H]2C=CCCC2)CC1	2041541753	SOOUKDZYWJXTAG-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](C[C@H]1CCCC(C)(C)C1)c1ccccc1	2045552490	RYNNVAWETGSIIE-GDBMZVCRSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(N(C)C[C@H]2CCC=CCCC2)cc1	2046558423	PDQLNQMUXSJDGS-INIZCTEOSA-N	243.394	4.568	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)C[C@@H]1CC12CCCCC2	2047057521	BHYNSCSPPOHMSB-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@@H]2CCC23CCC3)C1	2047961476	ITBCWSFRQQVAIU-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C1CCC2(CC1)CC2	2048880467	RUXQVFHMTGISCG-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@@H]2CCC23CCCC3)C1	2049544642	UXOHGPRTTTXJOC-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@H]1CCC2(CC2)C1	2049865994	OCXBUJSBVFTPSM-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc([C@@H](N)CCCC(C)(C)C2CC2)c1	2050461602	XFVXWBCRTBYUTD-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC=CC[C@]1(CNC(C)(C)C)CCCCC12CC2	2053362797	ZEPDTZNAPBHKOL-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCC1CCCC1)[C@H]1CCCCC12CC2	2053412959	RLMJOWGBLYXCGD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C(F)F)c(Cl)c(C(F)(F)F)c1	2054891615	USBMCURTLUODIM-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H](C)C2(C)CCCCC2)CCC1	2055547025	QMKHAEYJNDPGCC-JKSUJKDBSA-N	249.442	4.824	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CC1CC(C2CCC2)C1	2056673339	KRCMPSUJHNRXBL-FKFRUQKQSA-N	248.410	4.598	0	10	BJAE	
CC=C(C)[C@H](NCC)c1cccc(C(C)(C)C)c1	2056776079	RRWWGADWNQZKPR-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
C[C@H]1CCC[C@H](NCC2(C3CC3)CCCC2)CC1	2057603317	FPXRADWVNWLXEX-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C=C=CCCC1(CNCCC)CCCCCCC1	2061564471	ZZARSEXLDWHXQP-UHFFFAOYSA-N	249.442	4.838	0	10	BJAE	
C=C=CCCC[C@@H](NCCC)c1cccc(C)c1	2061566061	IXHZXKDRUILMKU-QGZVFWFLSA-N	243.394	4.547	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC2CC(=C3CC3)C2)C1	2061704456	RIBFFYZVEWUVJO-BLLLJJGKSA-N	246.394	4.662	0	10	BJAE	
CC1(C)C[C@H](N)C[C@H]([C@H]2CCC3(CCCC3)C2)C1	2063637401	DQLKVNGDYRZUGX-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)NCCC12CCC(CC1)CC2	2065260705	SPVOJVDZWUVFTM-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CC23CCC(CC2)C3)C1	2065285786	JMVQKEUDWMAHFT-ZCYLDUCGSA-N	246.394	4.518	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC1C[C@H]2CC[C@@H]2C1	2068707858	MUZZPLBDQREKAN-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068775027	ZWTGNZALOOSCON-DYPNFWBISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C[C@@H]1CC12CCC2	2069188353	CFWRNWPEDFEPBV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C1CC2(C1)CC(C)(C)C2	2070307633	HNEWNTORDYZQNG-INIZCTEOSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC1CC2(C1)CC21CC1	2072227460	HDVYUCHBIXSWDS-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(N)(C[C@]23CCCC[C@H]2C3)CC1	2074025718	QEQULFRVPXTNPA-VUROTCPHSA-N	249.442	4.645	0	10	BJAE	
CC1CCC(CN(C)[C@@H]2C=CCCCCC2)CC1	2074810954	SIWDTNXGADJUTN-OFLPRAFFSA-N	249.442	4.633	0	10	BJAE	
CC(C)C[C@H]1CCCN1[C@H]1CCC12CCCCC2	2075010690	MWKWKOIACOGSES-CVEARBPZSA-N	249.442	4.610	0	10	BJAE	
CC(C)CNCC1([C@@H]2C=CCCCC2)CCCC1	2075374202	VVFGOVWGJPLTBG-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CC(C)=CC[C@]1(N)CCCC[C@H]1C1CCCCC1	2075825658	DXCXORMIAKUQJM-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CC=C(CC)C[C@H](NCCC)c1ccccc1C	2077197493	RDSDSQBKVJKSCS-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
FCCC1(CNc2ccccc2C2CCC2)CC1	2077264150	LAMOFMBSSIQIAR-UHFFFAOYSA-N	247.357	4.506	0	10	BJAE	
CCC[C@H]1C[C@H]1CNC1(C2CCCCC2)CCC1	2079650251	JHKGAKPGQQOXCZ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@H]2C[C@H]2C(C)(C)C)C1	2079868344	ZBMLMWKPVJUDMP-PMOUVXMZSA-N	248.410	4.620	0	10	BJAE	
C[C@@H]([C@H]1CC[C@H](N)CC1)[C@H]1CCC2(CCCC2)C1	2082132368	DIXMDABLHVETIZ-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
c1cc2cc(CC3CC(=C4CCC4)C3)ccc2cn1	2125732900	HUPPDEPYKWGBJZ-UHFFFAOYSA-N	249.357	4.668	0	10	BJAE	
CCC[C@@](O)(CC)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213273898	WVKGZXSFPLNBTR-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
C[C@@]1(O)CCCC[C@@H]1CCCCCCC1CC1	2213576171	NJRAYESRLVCDQT-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1C[C@H]1CCn1ccc2cccc(Cl)c21	2215347580	YAQNFWNGKFDKMR-DGCLKSJQSA-N	247.769	4.731	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)c2scc(C)c2C)CC1	2215819875	ZMAOGFGJZVTYLS-HUUCEWRRSA-N	249.423	4.501	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H](C)C2CCC2)CC1	2215821808	RIQDWGIQMXLABH-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@H]1CC[C@H](CCC)CC1	2216283891	WYHQPFFCNPEWNI-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@]1(C)C[C@H]1NCCCCCCCC1CC1	2216861781	WOCVPVPEXYGFIF-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218331767	FOJLYQLRGHHMBO-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218339601	LRBNGINHDIVCGU-WCVJEAGWSA-N	246.394	4.518	0	10	BJAE	
NC1(CCCCCCC2CC2)[C@H]2CCC[C@H]1CC2	2218726229	MJTYGCSCRYFIQT-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)[C@H]1C=CCCC1	2218731278	MLFXQEWEXNSZLG-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@]1(CCCCC1CC1)CNC1CC1	2220039957	KVAMPTYRVDFOJX-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C[C@@]2(C)CC=CCC2)C1	2221603980	WKEIOSVMYLTSOE-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CCCC=CCNC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222955402	SOGRAMHMVYFZNG-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC=CC[C@@]1(CNC1CCC1)CC(C)(C)C	2223542534	RIGRDPWVSJWINY-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCC1)c1cccc2ccoc12	2224157243	FBKYNXPENZCBHN-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
Cc1cc(CC2=CCCCC2)c(C)cc1Cl	2244032736	RUQDMZSAAYCPCS-UHFFFAOYSA-N	234.770	5.000	0	10	BJAE	
CCC(CC)C(=O)CC[C@@H]1CCCCC12CC2	2246605178	CKWRYQZKVAAZDM-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CN(CC)CCCC[C@H]1C[C@H]1C	2247159250	LYLROAVTSRTYFV-ZBFHGGJFSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](C)[C@H](CCCC[C@@H]1C[C@@H]1C)NCC	2247162957	DPOZSSQCRSEHEJ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)CC(C)(C)C1CC1	2247164207	NCFDPJMEGGTHAL-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@H](N)C1CCCCCCC1	2247310786	NRGAFZFDFKPWHC-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](CC1=CCCCC1)NC	2247528124	SNDNCGSHPCYSRW-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CCCCC[C@@H]1C[C@H]1C	2248870345	LSPYNZZNVJXUJS-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(N)(CCCCC[C@H]1C[C@@H]1C)C(C)C	2248876170	AREDXWQGCHEMCC-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(NCCCCC2CC2)cc(C)c1C	2249485323	ANEHIEASTFBVQT-UHFFFAOYSA-N	231.383	4.604	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)[C@H]1CCCC(C)(C)C1	2250363519	ALJFVQKAANYFBR-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C=C(CNCC(C)C)C(C)C)CC	2250369395	YQVGHNUEGJNLBX-OAHLLOKOSA-N	239.447	4.641	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@]12CCCC[C@H]1CC2	2251215415	LCAQVZKTILVGEV-JYJNAYRXSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@H]2CC23CCCC3)C1	2253937600	WQQNWWNFVJNVPY-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@H]1CCCC12CCC2	2254596408	VOLIRSNZXXQKBG-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc(CN(C)CC[C@@H](C)CC)cc1	2256311748	GEDAVPIBVILCKF-HNNXBMFYSA-N	247.426	4.507	0	10	BJAE	
CCCc1ccc([C@@H](O)[C@@H](C)CCC(C)C)cc1	2256318328	RQJQWNXLPFVQBR-YOEHRIQHSA-N	248.410	4.745	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@]1(C)CC=CCC1	2257249861	WDJFVSBABDMDGV-INMHGKMJSA-N	248.410	4.908	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNC1CC(=C2CC2)C1	2259683020	ZTXIKRSENGGGBV-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](N[C@@H]2CCC3(CC3)C2)C1	2261402879	SZUNYZIVJMJUMC-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](C)(CNCC)[C@H](C)CC1CCC1	2298869780	LOSKWBBFBACGPR-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC=CC[C@H](NC)C1CCC(CCCC)CC1	2300873200	XHEQNQXIWLJPJE-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@H](NC)C1(C)CCC(C)CC1	2300896085	FDNZTOVBQTVVKX-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](N)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301137289	HKRFJSGQMAKVQE-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C)[C@@H](CC1CCCCCC1)C(C)C	2301138546	XBMQHGINFZQYAV-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H]1CC[C@@]1(N)CC1CCCCCC1	2301140749	ROPHPSOWIUPJSC-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CC(N)([C@@H](C)[C@H](C)C(C)C)C1	2301841259	UKKHTNRCMFYZQX-QVOMUQBLSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](C)[C@H](CCCC1=CCCCC1)C(C)C	2302327349	YCMLCSOGCDSAPK-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCC1(C[C@@H](CCCCC2CC2)NC)CC1	2302580661	UNGRDSIEVJRZTN-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H](C[C@]2(O)CCCCC2(C)C)C1	2302720773	HKAOBKDTWWNIMY-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
Clc1ccc(NCC[C@@H]2CC[C@H]2C2CC2)cc1	2303163126	YTQKGVOUXMVVDD-WFASDCNBSA-N	249.785	4.578	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1CC[C@H]1C(C)(C)C	2303443155	ATXSAJCHUVRGGK-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC(=O)CCCC1CC1	2303512765	LQTZFHZKNRNWNB-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)CCNC[C@@H]1CCC(C)=C(C)C1	2303592942	QEUFTYXWHICRHM-XJKSGUPXSA-N	237.431	4.539	0	10	BJAE	
CCC1([C@H](O)CC[C@@H]2CCC(C)(C)C2)CCC1	2304360051	PONIMUVZSWTKPU-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)CC[C@H]1CCC(C)(C)C1	2304428355	MDTCJSPKVPHJCC-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]([C@H](N)CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304438924	ZMKUTPLACUXJEJ-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@](C)(N)CCC2CC2)C1	2304447601	PMPQOJHMTQNFHL-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1c(C)cccc1C	2307762037	ZGPZWDVQPGKENC-AWEZNQCLSA-N	232.367	4.703	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)C1(C)CC=CC1	2307816160	BGWCWOBSFDRHKX-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)CC1(N)C[C@H]2CCC[C@@H](C2)C1	2307817769	SOGFIMYHYXHHNF-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](CNC(C)C)CC(C)C	2307830915	GRGNWEOYYSRKBW-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)CC1(O)CCC(C(C)C)CC1	2307844586	OFXOUIBUOLRUAE-FHERZECASA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)CCC)[C@H]1CC1(C)C	2307892702	FQDONOBSSVHVJV-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)C[C@@]12CCC[C@@H]1C2	2310892428	CPVCBTDWMFNYSZ-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CC1)N1CCCC12CCC(C)(C)CC2	2313640645	CCPRGRUPKMBURQ-CQSZACIVSA-N	249.442	4.610	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2313645465	QEKOXJGPMZNVDN-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C(=O)[C@H](C)CC1CCC1)c1ccccc1	2313652489	XFTWTGVSWQCEQU-CZUORRHYSA-N	244.378	4.576	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@@H](C)c1ccccc1	2315912156	YAPONBLIYHEDRL-NVXWUHKLSA-N	248.410	4.758	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@H](C)c1ccc(C)cc1	2316247262	BVABPLNRLZYDDG-WMLDXEAASA-N	248.410	4.676	0	10	BJAE	
CC(=CC[C@H](N)[C@H]1CC=CCC1)CCCC(C)C	2316500593	AXQKVJMCCFFYRQ-IRXDYDNUSA-N	249.442	4.833	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CC(C)=C[C@@H](C)C1	2316504846	YBQDHNBJFNXJNN-DJIMGWMZSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316744279	MQUKPDMCKAHUJO-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@H]2C[C@@H]1C2	2317916366	YLVYTAUIRPXSHG-TYNCELHUSA-N	247.357	4.550	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C[C@H]1C=CCCC1	2318879647	DKCMMSBXTPONKD-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)C[C@H]1C=CCCC1	2318931096	CAJWYLXFEAPYHY-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(N[C@H]2CCCC[C@H]3C[C@H]32)CCC1	2319439141	FQMSVGCEKKLPIC-UAGQMJEPSA-N	249.442	4.658	0	10	BJAE	
CN(C[C@@H]1CCC(C)(C)C1)[C@H]1C=CCCCCC1	2319889636	QLMXQTLNYOMBQU-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](CNc2ccc(C)cc2F)CC1	2320410510	FIOAXILPMCDUSL-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CCC(C)=CC[C@H](O)c1cccc(C2CCC2)c1	2320657346	OWEIRYOEOGOXDW-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
Cc1ccccc1N(C)CC[C@H]1CCC(C)(C)C1	2321642169	LQMYVSIOZZDVHH-OAHLLOKOSA-N	245.410	4.648	0	10	BJAE	
CCCCCCc1ccc([C@H]2CCCCN2)cc1	2327904251	ZPHDGWWRVFYYDZ-QGZVFWFLSA-N	245.410	4.624	0	10	BJAE	
C[C@@H](Nc1ccccc1-c1cccs1)C1CC1	37075727	QHPWRQGNEHEITG-LLVKDONJSA-N	243.375	4.626	0	10	BJAE	
CC[C@H](C)CN[C@H](CC(C)(C)C)c1ccccc1	37128435	UCFRMRPNVMBEBF-GOEBONIOSA-N	247.426	4.800	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NCC2CCCC2)cc1	37257715	SYJRSHDZOACIBN-CQSZACIVSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)c1ccsc1	71085211	QWOAKRSYKRALHR-TZMCWYRMSA-N	239.428	4.615	0	10	BJAE	
CSc1ccccc1NC1CCC(C)(C)CC1	79623385	NKJBRVINXDOFJE-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CCC[C@@H](C)COc1ccccc1C(C)C	85151631	GXLHVSANZMLCBP-CYBMUJFWSA-N	220.356	4.625	0	10	BJAE	
CCCC1CCC([C@H](O)CCC(C)(C)C)CC1	87961110	BDIAHSWGVQTMQG-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cc(C)cc(F)c2)CC1	91510990	ACBJHLZDSJDQLG-UKRRQHHQSA-N	249.373	4.905	0	10	BJAE	
CC[C@H]1CCC[C@H](Sc2ccc(N)c(C)c2)C1	91939109	VYEZEPTZYBTQOZ-STQMWFEESA-N	249.423	4.638	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](NC)c1ccccc1	103944102	IIQZYBRFZVDXFI-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CCC(=O)CC[C@H](CC)c1cccc(C)c1C	107480463	WSGNLVWYTLLFBI-AWEZNQCLSA-N	232.367	4.556	0	10	BJAE	
CCC(CC)[C@H](O)c1c(C)c(C)c(C)c(C)c1C	109784371	FBKPXCXIRDAWGB-KRWDZBQOSA-N	248.410	4.698	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CCC)CNCC(C)C	110203730	XSFCOBUNCUCUKZ-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCCCCC[C@H](CC1CCCCC1)NC	124748976	DDJCAPQFOIPYGO-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@H](CCCC(CC)CC)C(C)C	128642057	RIJIZZDFZSFMOX-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](CN)c1ccccc1	131842346	BJMRQVMWHNCMDI-WBVHZDCISA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](C)Nc1cc(Cl)c(C)cc1Cl	132019589	JOFLDKASSAVQEN-VIFPVBQESA-N	246.181	4.902	0	10	BJAE	
CCC(CC)c1cccc(Cl)c1Cl	146680628	DRWLDYBIQFNAFB-UHFFFAOYSA-N	217.139	4.897	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C2CCCCCC2)C1	149434050	DIBGGSAVANPZJO-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
Cc1ccccc1N[C@H]1CCC(C)(C)C[C@@H]1C	155834214	HLQUAUXEGKPKQB-ZFWWWQNUSA-N	231.383	4.622	0	10	BJAE	
CCCCCC[C@@H](CC1CCCCCC1)NC	158423532	HFZXPQVUDXXQQR-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@H](CCCC(C)C)c1ccsc1	165805984	SYVGAZOESLOVAF-CQSZACIVSA-N	239.428	4.615	0	10	BJAE	
CCCNC[C@@](C)(CCC)C1CCCCCC1	168019817	BQYWQZQEXWTFJD-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCCCN(CCCC)C1CCCCC1	224460872	APJPPVWRJYJOKR-UHFFFAOYSA-N	225.420	4.611	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H]1CCCC1(C)C	226827432	HIHQYWFTDUYYIX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1CCCC1)c1cccc(C)c1	229302559	MAKQFYWGFANREA-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
C[C@H](CC1CC1)Nc1c(Cl)cccc1Cl	229697433	KVWZBXUTBGWGLF-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@H](C(C)C)C2)c1C	230986389	JCEZPVYRWJYBNN-HOTGVXAUSA-N	245.410	4.930	0	10	BJAE	
CCCCC[C@@](C)(O)C1=CCCCCCC1	232960739	BNUCLTZQGAURJR-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@@H](C)CCC	233044599	PYKBTTKBRWXDGG-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2ccc(C)c(F)c2)C1	235398358	UUWKRHLWVQFRKS-FZMZJTMJSA-N	247.357	4.538	0	10	BJAE	
CCc1cc(Cl)c2sccc2c1Cl	238308462	RJSIXYSOPQDJLZ-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@H](C)CNC1CC1	251373587	QUGXNCULNGBWNB-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2CCNc3ccccc32)C1	251920108	UPSXFSRPURHJFG-RBSFLKMASA-N	243.394	4.802	0	10	BJAE	
CC(C)(C)Cc1sc(N)cc1C1CCCC1	257578264	JVSSJVAPFNTWGR-UHFFFAOYSA-N	237.412	4.577	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CC(C)=C[C@H](C)C1	300015716	IUYVSRFAWMPYTE-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](c1ccccc1)[C@H](C)CCC1CCCC1	302247617	JHEJMGAKDACLQP-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)CCC1CCCCC1	302248754	JUWHQLUUVYDCSE-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)[C@H]1CCCCC1(C)C	302263705	CBIMLEMZFCAJPH-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@H](CC)C2)cc1C	302309851	NUHMTVVMTCTRLC-HOCLYGCPSA-N	245.410	4.938	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CCCC(C)(C)C)c1	302327462	RTQNCQIDZJYQMC-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H](C)c1ccsc1	304448054	WXKHTLNQLYWPHM-VXGBXAGGSA-N	239.428	4.614	0	10	BJAE	
Cc1ccc([C@](C)(O)C[C@H](C)CC(C)C)cc1C	305904352	CEVKMHAAZHPKSA-CXAGYDPISA-N	248.410	4.583	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C1CCCCC1	305971850	YZZXNGSWGQCVJZ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1cc2sccc2c(C(F)F)c1Cl	306825953	YVQRVRNKMLQTSH-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CSc1ccc(Cl)c2cc(S)sc12	307270717	NDDNVHAOBZTAKV-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H]1CC[C@H](C)[C@H](C)C1	310594292	BXPHZDYJBQJRNT-NWANDNLSSA-N	241.378	4.947	0	10	BJAE	
C[C@H]1CCC[C@]1(CNC1CC1)CC1CCCCC1	318746357	OFWFQEPCPFLXCJ-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H](C)[C@H](C)CC	319534792	BJFHCFXVCHPSHD-KFWWJZLASA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](Nc1cc(C)ccc1C)C1CCC1	322507507	FXRRSPVSJBTNSE-OAHLLOKOSA-N	231.383	4.684	0	10	BJAE	
CC[C@H](NC1CCC2(CCCC2)CC1)C1CCC1	324989832	WAXLZCSOSJWXKN-INIZCTEOSA-N	249.442	4.658	0	10	BJAE	
CCc1cc(NC[C@H](C)C(C)(C)C)ccc1C	379740687	KSJBNUYWNTUNQH-ZDUSSCGKSA-N	233.399	4.652	0	10	BJAE	
CCCC1([C@H](N)CC2CCC(C)(C)CC2)CC1	379901855	HULRZPLWKOFSCB-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCc1ccc(NC2[C@H](C)CCC[C@H]2C)cc1C	380660725	HLDNJOJUZDAWOP-CHWSQXEVSA-N	245.410	4.794	0	10	BJAE	
CCCC1(N[C@@H]2CCC[C@H](CC)C2)CCCC1	382300858	PLNRTWKMUFTLJB-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)C1(CC)CC1	383214678	CWDSQTLJGLMRLR-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)c(C2(C)CCCCC2)c(C)c1	383414702	JTEYFRKMHUCMQB-UHFFFAOYSA-N	216.368	4.834	0	10	BJAE	
CCCC1(CNC2CCCCCCC2)CCC1	391796891	FFCNZEJHDCJMLW-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)c2cccc(C)c2C)CC1	392833143	GCHXEQJEPUHQKF-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
Cc1ccc(C)c(N[C@H](CCC(C)C)C2CC2)c1	394143598	YAYRHPWXJGXMKS-MRXNPFEDSA-N	245.410	4.930	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCCCCCC(C)C)[C@@H]1C	394770049	TWANIRSFIVMCPS-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CCCC[C@@H]2C)CC1	395190602	WLKHTDZDAFKHDJ-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CCOc1c(C(F)F)sc2cccc(C)c12	396257174	VRMVVOCRGANNBM-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1cc(C)c(C(F)(F)F)c2sccc12	396304748	NRLKLQOWQZWYLE-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@@H](CCC2CCC2)C1	398859651	RFKZCOLADNIKNO-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC)(C[C@@H]2CC=CCC2)C1	402160671	RRZAPPZYALZSSM-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)c1cccc(C)c1	405715167	BHQSNTJRJMMLGK-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCC[C@H](CCC)NCCC(C)(C)C1CC1	405951501	GNYPPDMGPOVDIC-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@@H](C)CC(F)F	688814914	ZBELKZIYAJHBKV-NEPJUHHUSA-N	248.357	4.699	0	10	BJAE	
CC[C@H](C)c1ccc2nc(Cl)cc(C)c2c1	689768427	MRBUAUWWNKPPSB-VIFPVBQESA-N	233.742	4.710	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CC2CCC1CC2	691153133	QMSOJSHFQFOPML-QTPCEWDRSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CN[C@@H]1CCCCC[C@H]1C(C)C	691165973	LFYLRIQPXLXWQC-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H](C)C1CCC1	692677134	IXDLLUMHFSCXTM-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(N[C@H]2CCCC[C@H]2C2CC2)c1	696103838	JHZUGOOFACDDPR-IRXDYDNUSA-N	243.394	4.630	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)CC1(CC)CCC1	696251666	ZVUUYFKQLXUTKM-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(F)(F)C(C)(C)CC(=O)C1CCCCCC1	697077245	VJBFEKYMUZPGEA-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@H](CC(C)(C)C1CC1)C(C)(C)CC	701178054	WPGZWXRZEJNFGF-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@@]1(C)CC1(C)C	702222010	DRJQPZSZWAFPMZ-NVXWUHKLSA-N	245.410	4.507	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)CCC(C)(C)C	704460342	NVINCIPUFJOBTL-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)C1CCCCC1	704878915	PCIQHTJNGLJDOQ-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)CCC1CCCCC1	704932586	ATMFTSFEDKZKHC-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@](C)(N)Cc1ccc(C(C)C)cc1	704950703	FFAXEQYLDRYDIM-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CCC(C)(C)C	704952379	QUBZVBTWEHLYPE-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@]1(C)CC1(C)C	705305932	KNYFLAXFEGEGOI-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)[C@@H]1CCCC2(CC2)C1	710238395	DAAHEMZOANRZCV-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](N[C@@H](C1CCCC1)C1CCC1)C1CCCC1	711830886	GNICVFGQGJUNOH-DYVFJYSZSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CC(C)(C)C(C)C)C1	713150224	PLDRGVWKTWSRRZ-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C\CCNc1cc(Cl)ccc1Cl	713715816	ADWOVMMWPRAVIS-ARJAWSKDSA-N	242.149	4.538	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC1CCC=CCC1	718054618	XRGNAJLMBSTSTF-DJIMGWMZSA-N	249.442	4.536	0	10	BJAE	
CCc1ccc([C@H](C)NCCC(C)=C(C)C)cc1	718553754	QFVFUGYZFLFQEI-HNNXBMFYSA-N	245.410	4.646	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C(CC)CC	718570655	DDFGWODOCRXQNN-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)C(C)(CC)CC	721711567	SENHIQIRJUXNSD-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(S[C@@H]2CCCC[C@H]2C)s1	1559426149	GEQFLCIJNJDPJM-MWLCHTKSSA-N	226.410	4.727	0	10	BJAE	
CC(C)(C)[C@@H]1CCCN([C@H]2C=CCCCCC2)C1	1645418410	YIHRHJYHHUCCRT-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
C/C(=C\Cl)CS[C@H](C)c1cccc(F)c1	1652796695	FLZPSYQPZUORKR-TTZKWOQHSA-N	244.762	4.763	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1ccccc1Cl	1900696276	KJHJCLHCBHQSMR-CQSZACIVSA-N	239.790	4.556	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C(C)(C)CC	1900840529	OEBOTMUPRSUSFE-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@](O)(CC)CCCC1=CCCCC1	1901950417	UKBGDALKJOZIPS-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
FC(F)CC12CC(C[C@@H]3C=CCCC3)(C1)C2	1903415168	LCBXRIBXNNWUSL-LMWSTFAQSA-N	226.310	4.558	0	10	BJAE	
CC1(C)C[C@@H]1C[C@H]1CCCCCCCC[C@H]1O	1913391807	OYNWJOAYSIADMB-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc(C2CCC2)c1	1917330151	SJGHPFLNHWXBOJ-YQQAZPJKSA-N	241.378	4.555	0	10	BJAE	
CCCCCC[C@@](C)(O)c1ccsc1Cl	1919943210	JVCKDNOSVMONMT-GFCCVEGCSA-N	246.803	4.579	0	10	BJAE	
CCCCCC[C@@](C)(O)c1cccc(C2CC2)c1	1919980832	JWLVVRUUVGURJN-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@H](c1ccccc1)C(C)C	1921305823	RQEFNNBFJZYIRF-HOTGVXAUSA-N	248.410	4.613	0	10	BJAE	
CCCCCC[C@H](O)[C@H](c1ccccc1)C(C)C	1921321477	YUHCIHBUTLMMOM-IRXDYDNUSA-N	248.410	4.758	0	10	BJAE	
CC1(C)CCC(=CCC2CCCCC2)[C@@H](CN)C1	1927147468	LUWFSYUAJNYWJZ-MRXNPFEDSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H]2C=CCCC2)C1	1932605648	XZKHSNQQOVLUFA-KFWWJZLASA-N	206.373	4.949	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCN1)CC1(C)CCCCC1	1940406598	MTFATSJGXMWYHL-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](O)(CC1(C)CCCCC1)[C@H]1CC1(C)C	1940408275	SRQXGIRCYYBAJV-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](C)(CCCC1(C)CC1)CNC(C)(C)C	1940867724	CSUQODVMQUNLIG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)CCC1CC1	1940880805	CDLKUZSNXIIORT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CCCC2CCC2)C1	1941466036	WDRXLWBUYDUQTM-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCCN[C@@]12CCCC[C@@H]1CCC2	1944188540	DNABNCLVOGHDDS-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@](N)(CC1C[C@@H](C)C[C@H](C)C1)C(C)(C)C	1944206301	XLMWHFLRTHEDMA-XEZPLFJOSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](O)CC1CCCCC1	1944620827	AHYHQVBEBDUKGF-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@H]1CCC[C@@H]1C	1944850587	VXGXZBYHYVFVKK-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C(Oc2cccc3sccc23)C1(C)C	1946161759	DLJZQKCZHPKMMJ-UHFFFAOYSA-N	246.375	4.715	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)C[C@@H]2CCCCC[C@@H]2C1	1947855450	IUQMRTPVTOATCH-FOLVSLTJSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@]1(O)CCCCC12CCC2)C(C)(C)C	1947899704	IYNKFDQHIPPQJE-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)[C@@H](C)CC(C)C	1948325065	DVBSJYIJXJTKES-JYJNAYRXSA-N	241.463	4.993	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CCC1CCCCC1	1948325562	HNFXRSKYFNBVOM-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C1(C)CCCCCC1	1949141348	AYLOEUJEFWNOTB-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC(F)(F)C(C)(C)CCC1(O)CCCCC1	1949929929	ZJPFYKOZJNAJKL-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCC2(CC2)C1	1950268983	XIXQOMNSNDRWFT-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CCCC2CCC2)CC1	1950925126	QOEYPSUUKOAUKD-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)[C@H]2CCC[C@@H](C)CC2)C1	1950929632	INSREPNGICQLDU-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCC=CC[C@H](C)c1cc(C)cc(C)c1OC	1951308131	AGTFIBWAHUUZMK-ZDUSSCGKSA-N	232.367	4.772	0	10	BJAE	
CC1(CNC2C[C@@H]3CCCC[C@H]3C2)CCCCC1	1965927611	NVJKPQAMRZLUOB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CC(NC2CCC3(CCC3)CC2)C1	1965988092	LRYIGXPDAKGLGZ-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](NC1C[C@@H]2CCCCC[C@H]2C1)C1CCC1	1967822099	IUALTOKVLVUCPF-ZOBUZTSGSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C)c1OCC1CC(C(C)(C)C)C1	1968271421	UKQARSJYIQPASX-UHFFFAOYSA-N	246.394	4.755	0	10	BJAE	
Cc1cccc(C)c1OCC1C[C@H](C)C[C@@H](C)C1	1968271970	ZCVSPBZURMRAAN-CHWSQXEVSA-N	246.394	4.755	0	10	BJAE	
C[C@H]1CCC[C@@H](CN2CCCCC23CCCC3)C1	1969767354	KRVYUFUQWDWDQL-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCCCC[C@](C)(N)[C@H]1CCCC(C)(C)C1	1978437242	OTFSAJRGNOROEY-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]1n1ccc2cc(Cl)ccc21	1982612037	LXHXPIVOSOTZIV-GWCFXTLKSA-N	233.742	4.656	0	10	BJAE	
CCCC[C@H](N)CC1CCC(CCC)CC1	1989814895	SVLGOYPRAAOFOR-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@H](CC)[C@@H](CCC)NCCC	1990093221	IVMVOCOSRHNCNG-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC=C[C@H](NCCC)[C@H]1CCC[C@H](CC)CC1	1997102153	CVAQRXTYPSAVTN-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@@H]1CC=CCC1	1997545294	BGNLCEWWWPYGJQ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(O)CC2CCCC2)C1	2000037167	FZOUGSNOGSMULW-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]([C@H](C)C(C)C)C1(CCC)CCC1	2000387614	LYIIDDOTWFDFJE-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@@](C)(CCC)CNCC(C)C	2000516932	ZHIOVHQOKWOHET-MRXNPFEDSA-N	237.431	4.561	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@H]1CC12CCCC2	2001266722	WTCDPJWKLPXOIE-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1[C@@H]2CCCCC[C@@H]12	2002154624	FITLNMNJTHKCHB-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H](C)CC(C)(C)C	2004225626	JUHAMBYCLGMLHK-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
C[C@H](C[C@@H](O)C1(C)CCCCCC1)C1CCC1	2004924034	XHCAWQHJFLZITP-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](O)[C@@H]1CCCCC12CCC2	2005600853	OTBYDIWAZPGGRL-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC)C[C@@H](C(C)(C)CC)C1	2006625922	ANRNYBMDDRQIEC-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@H]1CCC[C@@H]1C)C(CC)(CC)CC	2006753751	FRKXEOBCVCICBT-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)C1(C)CCC(C)(C)CC1	2007697835	QMTWCPHBSXHSGN-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)CC[C@@H]1CC(C)(C)CC	2009420028	MNUWUJNLNYMOGZ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H](N)C1(C)CCCCCCC1	2009634340	FYCJEGJKFWOCRK-NHZBNJEXSA-N	237.431	4.811	0	10	BJAE	
CCCN[C@@H](CC1=CC[C@@H](C)CC1)CC(C)C	2010622902	GTKZBKBTSFGAHL-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](O)(C1=CCC(C)(C)CC1)C(C)(C)C	2010713185	LUMAUAYMUROVPR-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@@](C)(N)C1=CC[C@@H](C(C)C)CC1	2010737186	ILGCYAVIKWVDBX-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@@H](NC)CC(C)(C)C1	2012042091	QQJKYGABOBTHGZ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H](C)C(C)C)NCCC	2015269761	IFSRBSULPSORIM-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@]2(C)C[C@H]2C)CC1	2016456431	WWAUIESJUSGVIR-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C(C)(C)CCF	2016759897	PIEFAPNKWRYQMQ-CYBMUJFWSA-N	245.426	4.567	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cc(F)c(C)cc1F	2017740879	IGDMLRAJVGDBRT-SNVBAGLBSA-N	241.325	4.510	0	10	BJAE	
CCCCC[C@@H](CC)NCC1(C2CC2)CCC1	2018129124	ARYOSAVTUIMRRV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C1CCCCCCC1	2019416762	XNWQDRZPQBMLLI-HNNXBMFYSA-N	239.447	4.856	0	10	BJAE	
CCSc1cccc(N[C@H]2C=CCCCC2)c1	2019511163	WLAYJUSWRZGABW-ZDUSSCGKSA-N	247.407	4.709	0	10	BJAE	
CC=CCCC[C@@H]1CCCC(C)(C)[C@H]1NCC	2020364498	RABSEFRNDBEEDW-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC1(C[C@@H]2CCCC(C)(C)C2=O)CCC1	2020391114	HVSWBSQFPIXZOH-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@H]2CC(C)(C)CC[C@H]2O)CCC1	2024144863	AWMVHHCBSGGRIR-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(F)cc2cc(C3CC(C)(C)C3)[nH]c12	2024288390	AFSWSFHSBBFPAL-UHFFFAOYSA-N	231.314	4.519	0	10	BJAE	
CCCc1ccccc1[C@H](NC)[C@H](C)[C@@H](C)CC	2027903372	LLUSGLTYSNGCTN-JJRVBVJISA-N	247.426	4.582	0	10	BJAE	
CCCCc1ccc(C(=O)C2(C)CC(C)C2)cc1	2029108450	PFHOHHVZSDPOLJ-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CN[C@@H](c1c(C)cccc1C)[C@H](C)CCC(C)C	2029823166	GTSXUTDCDOYYPV-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CC1(C)CC[C@H](NC[C@@]23CCCC[C@@H]2CCC3)C1	2031809984	VRRJYSXCQJTDTL-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC(C)NCC1(C[C@H]2C=CCC2)CCCCCC1	2035588718	GWKUHBWNSAUDJY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
N[C@@H]1[C@H]2CCCCCCCC[C@@H]2C12CCCCC2	2035892452	RRSLUWFMXIRZJM-HRCADAONSA-N	249.442	4.645	0	10	BJAE	
CCCCc1ccc(NCC2CC3(CC3)C2)cc1	2036730060	FYJTYZVAICAENW-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
CCNC[C@]1(C2CCCCC2)CC12CCCCC2	2039000502	SOVYXLOODGOXDE-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@@H]1C=CCCCC1	2039042679	XBXIQCUKFNUQMC-IXDOHACOSA-N	249.442	4.680	0	10	BJAE	
Cc1ccc(F)c(C(=O)[C@H]2CCC[C@@H](C)CC2)c1	2039379190	ZGTOJKPRHVMICW-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
CN[C@@H](CC1CC=CC1)[C@@H]1CCCC(C)(C)CC1	2039382498	ALDVTDITTCQARV-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C2CC3(C2)CC(C)(C)C3)C1	2039417059	BOABLBZWCZHATD-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)CC1(CN)CC2(CC3(CCC3)C2)C1	2039459323	APJDBEOKIMKPKB-CQSZACIVSA-N	249.442	4.502	0	10	BJAE	
CC1CCC([C@H](C)N[C@H]2CCC23CCCC3)CC1	2040639245	SJQAWJSRAHRDDF-GRAKBVBRSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2[C@H]3CCCC[C@H]23)CC1	2041375737	JWKURUZEJYADGG-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](CNCCC2=CCCCC2)CC1	2041540007	JEBLDCXMKQHMAT-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@H]1CCC[C@@H](CC)C1	2042025063	RMWSYJSTHAZMQR-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(N)C2CC3(CCC3)C2)C1	2043539906	GZSWYXXKUDRYCU-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CC(C)=C[C@@H](C)C1	2045560177	KICSBUFRMYRQOO-OJLVUWQFSA-N	248.410	4.764	0	10	BJAE	
CCC/C=C/CNC1CCC2(CCCCC2)CC1	2045670138	DLKNIVHBDGZOEX-XBXARRHUSA-N	249.442	4.825	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047436872	HREUWFKYLOQGOX-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(NC[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	2048400079	YTDCWVUEICJGPP-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@@H]1[C@H]2CCCC[C@H]21	2049642470	VTEAUSFQMGHTNW-CAOSSQGBSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)[C@H]2CCC3(CCCC3)C2)CC1	2049687515	UPYRVHKUSYLLNS-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@H]1CCC2(CC2)C1	2049852875	CVGZUBPXFVMJNK-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@](N)(C[C@@H]1CCCC2(CC2)C1)C1CCCCC1	2049864338	IYIQJIDERFNQJA-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@H]2CCC3(CC3)C2)C1	2049866008	OECOCMMTOMZOKR-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CCc1ccccc1OC[C@H]1CCCC2(CC2)C1	2049951472	OVUYWBOJTUEBGU-AWEZNQCLSA-N	244.378	4.598	0	10	BJAE	
CCC1(C)CCC(NCC2(C3CC3)CCC2)CC1	2051594237	SADQDMAJSGTUOV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCC(O)(c2ccccc2C)CC1	2051609681	PJHMALWOQMEBAO-UHFFFAOYSA-N	246.394	4.563	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)C1(C2CCC2)CC1	2051908577	MQADCJXFAAYTNV-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(NC2CCC(C)(F)CC2)c(C)c1	2053898931	BKBDGVKXJUMKAE-UHFFFAOYSA-N	249.373	4.695	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1C=CCCC1(C)C	2055541742	KIXRGENOVQSDLL-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)C=C1CCCCC1	2056918111	XQHJZKIJJBTJGX-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CCC1(CC)CC(N)(c2ccccc2C(C)C)C1	2058829530	KHKUZPDQIIHHGT-UHFFFAOYSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)CC[C@@H]1C[C@@H]1C=CCC1	2058986593	CIZWSWCXRVBEIT-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@]12CCCC[C@H]1C2	2059177760	MDKJWWNANMFDMN-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCCN1CCCC[C@@H]1C1CCCCC1	2059207275	PTISZFVCNFDCCO-RCAFFNEUSA-N	249.442	4.778	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1[C@H]2CCCC[C@H]21	2059250742	TWSDQROMZFHXBA-AXRXUNOHSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1CCC[C@H]2CCCC[C@H]21	2059266274	DUDBEYXDWAAXTQ-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C2=CC[C@@H](C)CC2)cc1	2060914369	RFUFCZHDVVJGSP-DYVFJYSZSA-N	243.394	4.556	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)[C@H]2CCC[C@@H](C)C2)CC1	2061087683	HNCAVDBILXTUJH-TXCZRRACSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)[C@]1(C)CC1(C)C	2061091561	JZVMTZASQZOKPO-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)C1=CCC(C)(C)CC1	2061113954	TYOFEWDIIQBPHW-GUYCJALGSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CCCC1CC1)C1=CC[C@H](C(C)C)CC1	2061149900	GZXDSSHBXUKBLO-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
C=C=CCCC1(CNC)CC(C)(C)CC(C)(C)C1	2061565039	BBQYHNFSLXLVJO-UHFFFAOYSA-N	249.442	4.550	0	10	BJAE	
CCc1cc(NCC[C@@]23CCC[C@@H]2C3)ccc1C	2061572124	OXGHEDRQTZNHNW-NVXWUHKLSA-N	243.394	4.550	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)[C@H]2CCCCCC23CC3)C1	2062194781	XXCCMNLFUURLKE-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
O[C@@]1(C2=CCCCCCC2)C=CCC2(CCC2)C1	2063685207	UHZQQQHTLDZNTE-KRWDZBQOSA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)c1ccccc1CC	2068823408	QVOWPQLVWWRBPD-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@@H]2CC23CCC3)CC1	2069176905	SOJGHVJSUJSZGS-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C1(CC2CC2)CCC1	2069515852	SIQQKWXBDUREAG-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(CN2C3CCCC2CCC3)CCC1	2071921780	KYNJLTCLTHDKMC-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC1(C(C)(C)C)CCC1	2071944441	XFJVPWKDFZISHF-HNNXBMFYSA-N	245.410	4.601	0	10	BJAE	
CCNC[C@]1(CC(C)=C(C)C)CCCC12CCC2	2072414946	MSQIKEHGQSPTRE-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(N)CC[C@H]3CCCC[C@H]32)CC1	2072793362	JMLBTQKDIVHTIT-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(C[C@H]1CC[C@H](C)CC1)C12CCC(CC1)C2	2072800020	ZMIGEUKSMBCUOM-UWEUSHKOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)C=CCC[C@H]2C)CC1	2072876372	ZOVRJXZLEPKGOR-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@H]1CC[C@H](C)CC1	2072880232	ZJSKNEIKTYRYCG-NZUILWFCSA-N	248.410	4.764	0	10	BJAE	
CCCC1(C[C@@H]2Nc3ccccc3C[C@@H]2C)CC1	2074635767	GLHJXEITRMTTTD-BBRMVZONSA-N	243.394	4.630	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@]23CCCC[C@@H]2C3)CC1	2074647591	ZCBALMZILJWGJY-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
C1=C(CCN2CC[C@@H]2C2CCCCC2)CCCC1	2075147564	WKPMJXQJOKSSSQ-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
CC1(CN[C@@H]2CCC3(CC3)C2)CCCCCCC1	2078352032	SAXXDKLHYDQAHU-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCC1(CC(=O)[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079472449	GWRPDHXIIDEYKT-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C=C[C@@H]1C[C@@H]1C1CCCCCC1)CN	2079705261	GGYDZHRULIOYCF-DJIMGWMZSA-N	249.442	4.524	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)c1cc(C)cc(C)c1C	2082929594	HIXUEXFEFBVNFI-YVEFUNNKSA-N	247.426	4.699	0	10	BJAE	
Cc1c(F)ccc(C(=O)CCC2CCCC2)c1C	2083354372	LZYUWNRXOKQCSJ-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
Cc1ccn([C@H](C)C2CCC(C)(C)CC2)c1	2211148668	KFXDNEZERRSLCA-CYBMUJFWSA-N	219.372	4.574	0	10	BJAE	
CC(C)=C(C)CCc1c(C)cc(C)cc1C	2211935303	JQDBYUBPQKMGAN-UHFFFAOYSA-N	216.368	4.901	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1CC[C@H]1C)NCC	2214960073	NJUQHHMZTOWVLS-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@@H]1CCn1ccc2ccc(Cl)cc21	2215346008	NPUSUSICDDJIPL-AAEUAGOBSA-N	247.769	4.731	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C(C)(C)CCC	2216278571	NEDPEFFWYXZEGC-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](NCC)C(C)(C)C)CC1	2216286920	ZENZGSNLTBCQMP-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NCC1(CCC(C)(C)C)CC=CC1	2217153894	PEQRBQLCSDGDEP-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
O=C(C/C=C/c1ccccc1)CC1=CCCCC1	2219093395	YVQCEUWWPWOTSI-KPKJPENVSA-N	240.346	4.550	0	10	BJAE	
CC1(C)CC(C)(CC2(N)C[C@@H]3CCCC[C@H]3C2)C1	2221041945	VLGCGXUZUKTVFU-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](CNC(C)C)([C@@H]2CCC[C@H]2C)CC1	2221664519	TYFHBSOOGKIZII-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CC[C@@](N)(CCCCCCCC3CC3)[C@@H]1C2	2223158974	LXEKTZKFCZBEGI-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CCCCc1ccc([C@@H](N)C(CC)CC)s1	2242599229	RQORSEJYYFJMCA-AWEZNQCLSA-N	239.428	4.527	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)C(C)(CC)CC	2244780020	FRVSFFJTTOYTGZ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
Cc1scc(C(=O)C2(C3CC3)CCCC2)c1C	2246363333	XOLKESCZWPXXMI-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CC1=CCCCC1	2247491185	WTAOYJVSJSYNFA-HZPDHXFCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(C)CCCCCN1	2248869366	HNVAATHBVJDDNK-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1CCCC2(CC2)C1	2250357029	UAXBWTNKOGDEHH-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@H](N)C(C)(C)C	2250478365	IEXXBIQBVMBUDV-CABCVRRESA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@H](C)C(C)C	2250479275	SEAGVWXZYHYGNB-XHSDSOJGSA-N	241.463	4.848	0	10	BJAE	
CCC[C@H]1CCN1CC[C@@H](C)CCCC(C)C	2250520925	XCIGMEAVBZRFHX-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
C=C=CC[C@@H](CC[C@@H](C)CCCC(C)C)NC	2250530946	WNZHLCRSXXPTON-HOTGVXAUSA-N	237.431	4.548	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2251178765	GQUQSZDZADLLBQ-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](NC)C1CC(CC(C)(C)C)C1	2251541526	FXRLVSYTNLQPNA-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)c1ccc2ccsc2c1	2253082390	PNCVDIPJMHMHOB-PWSUYJOCSA-N	244.359	4.520	0	10	BJAE	
CC1(C)CC(=O)[C@H](CC[C@H]2CCCCC23CC3)C1	2253878792	BFNDZSTZRDIHOF-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(NCC[C@@H]2CCC[C@H](C)C2)c1	2253968063	IGVNOIPPVZKEEM-HOCLYGCPSA-N	245.410	4.877	0	10	BJAE	
N[C@@H](CC[C@H]1CCCC12CC2)C1CCCCCC1	2255254081	QJLFSQWBHHHSJK-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(F)c1NC[C@H]1CCC[C@@H](C)C1	2256114167	GULVJTFNGGKZDA-OLZOCXBDSA-N	249.373	4.626	0	10	BJAE	
Cc1cccc(C)c1OCC1CC2(CC(C)C2)C1	2259557114	UUROAHGHTBFXEE-UHFFFAOYSA-N	244.378	4.509	0	10	BJAE	
CC1CC2(C1)CC(C[C@H](C)c1ccc(N)cc1)C2	2259566111	MTIBNCVNDOLNEJ-UHKZTBIMSA-N	243.394	4.589	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@]12CCC[C@@H]1CC2	2260508659	QKLLLZBPGXSJBS-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
COc1ccc(CC2=CCCC2)c2ccccc12	2263156212	FIHTZFYMGBWLHD-UHFFFAOYSA-N	238.330	4.501	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@]12CCCC[C@@H]1CC2	2298722185	IIVHGJZKDBXZIF-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC1CC1)[C@H](O)C1(C)CCCCCCC1	2298926472	MPPLPJBIIZWIGE-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1c(C)cccc1C	2300681745	SAKFCDSTFVCUTR-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H](C)C1CCCCC1	2300684563	VYKRPMBJLHUQRG-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2300687109	YOOPESWOICSJCN-BFJAYTPKSA-N	240.431	4.636	0	10	BJAE	
CCC(C)=CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O	2300866910	FKPLERKBTIQCMM-QLFBSQMISA-N	238.415	4.556	0	10	BJAE	
CCC(C)=CC[C@]1(O)CCC[C@H](C(C)(C)C)C1	2300880768	MPSJUXAYZMIDNB-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1CCC[C@H](CC)CC1	2300908149	ABBYMUPSYREDQZ-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
Cc1ccc(OCC2CCCCCC2)cc1C	2301137151	FMAJTBZUSLYKCI-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CC1(C)C[C@@H](N)C[C@@H](CC2CCCCCC2)C1	2301143074	PTVOTHGQOJRYPY-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC(CC)c1c2c(cc3c1CCC3)CCC2	2302231663	VMVAWXQFAUAQAQ-UHFFFAOYSA-N	228.379	4.568	0	10	BJAE	
CC1(c2nc([C@H]3CC3(C)C)cs2)CCCCC1	2302263028	RGIHZOJBGVDMIE-LLVKDONJSA-N	249.423	4.878	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CCCCC(C)(F)F	2302619756	JCPSRADCUBHLMG-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
C[C@H]1C[C@H]1CCCCN(C)CCCC(C)(C)C	2303329468	BDWJMHRAABQLJE-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CC1=C(C)C[C@@H](CC(C)(C)CNC(C)C)CC1	2303517473	XBIPWXRTRSNKPU-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@H]2CCCC[C@@H]2N)C1	2304415857	NJHDBLIZXBZDDA-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CNC(C)C)CC(C)C	2307830913	GRGNWEOYYSRKBW-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC12CCCCC2	2307831632	MHKZOFBXHORGLN-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)C1CCCC1	2307895330	VNAJHVFJOASUOY-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCCCCC[C@H]1N	2307900293	FNLNRIWLOOFGNJ-ARFHVFGLSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@H](C)[C@H](N)c1ccccc1	2307900464	GDDILXXRVQNAIX-DZKIICNBSA-N	233.399	4.539	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@H]1C[C@H]1CC	2307902014	JMBOFAXSZNKXGB-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)CC[C@@]23CCC[C@@H]2C3)C1	2310379835	IOVICUVPMUWQLQ-MZBWOGCUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@H]2CCC[C@@H]3C[C@H]23)CCC1	2310986259	TWPXKGDPGMRWSD-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312959438	FIISHHGUSOLZTQ-VHDGCEQUSA-N	248.410	4.598	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2C[C@@]12CCC[C@@H]1CC2	2313336004	KVUSHAQGMGSYIV-VBQJREDUSA-N	241.378	4.556	0	10	BJAE	
CC[C@H]1CCC[C@@H](CCC23CCC(CC2)CC3)N1	2315473904	QRILTBKZOYJPLM-YZUHTNEWSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@@H](C)c1ccccc1	2315954404	QQMAUHVOEPGAKR-NVXWUHKLSA-N	247.426	4.724	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1cccc(C)c1C	2316504188	UMVZATCBBLQPFH-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CC(=CCC(=O)[C@]12C[C@H]1[C@H](C)C2)CCCC(C)C	2316510471	VISCBPHEIQQNSL-HLLBOEOZSA-N	248.410	4.764	0	10	BJAE	
CC(=CC[C@@H](N)[C@H]1CC2CC1C2)CCCC(C)C	2316584246	WMAIJJAZUBZRKO-SJJHQCBESA-N	249.442	4.523	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C[C@H]2C[C@H]1CC21CC1	2317117898	DPQOFVYWZXJXOE-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCC1)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317144099	VDPMDIGTIFFZQC-BZUAXINKSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](CC)c1ccc(CC(C)(C)C)cc1	2318573343	QOYURTSDIRWPFB-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320198298	WMSLLOLDKXVAKR-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1[C@H](N)CC1CCC=CCC1	2320219693	OFMWZKJNEHNSTI-ARFHVFGLSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H]1C[C@H](C[C@@H]2CCC(C)=C(C)C2)CC[C@@H]1C	2320389208	YDRFNAYMFGVWAN-PQEBFOHHSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)[C@]12CCCC[C@H]1CCC2	2320403857	REDDJYVDLUSVLT-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@]2(O)CCC[C@H](C)C2)c1	2327707575	IGMCSOSUSJRPRK-YOEHRIQHSA-N	246.394	4.516	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cccc(C(C)C)c2F)C1	2327807216	CZQXJSSJXGPLCZ-STQMWFEESA-N	249.373	4.940	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C[C@H](C)c1ccccc1	2328271672	BQFPPDFMKJQEJN-ZOBUZTSGSA-N	247.426	4.724	0	10	BJAE	
CCc1ccc2[nH]c(C3CCCCC3)cc2c1	1518155	XJBRWDCJNCRYCL-UHFFFAOYSA-N	227.351	4.778	0	10	BJAE	
CCC[C@@H](C)Nc1cc(Cl)cc(Cl)c1	5310792	VXFDISWDMVERLN-MRVPVSSYSA-N	232.154	4.594	0	10	BJAE	
CC(C)CC(CC(C)C)Nc1ccccc1	19233342	CWLUROJICLLULD-UHFFFAOYSA-N	219.372	4.559	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(C)cc1	21011431	IFEXGERDOXBNIC-JSGCOSHPSA-N	219.372	4.622	0	10	BJAE	
CC[C@@H](O)C1CCCCCCCCCCC1	34477919	WJOAMKQSHJHWLV-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCCN[C@@H](CCC)c1csc2ccccc12	35583998	WDMUFRFRAYINLV-AWEZNQCLSA-N	247.407	4.742	0	10	BJAE	
C[C@@H](NC1CCCCCCC1)C1CCCCC1	37199290	FTMODURMWRJQOH-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
Cc1cc([C@@H](C)N[C@@H](C)C2CCCCC2)c(C)o1	44729873	AQXSYEXSPSDBRM-QWHCGFSZSA-N	249.398	4.516	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H](CC)c1ccc(C)cc1	70105554	YHPIIRLHHLYQDW-DLBZAZTESA-N	245.410	4.614	0	10	BJAE	
CC(C)C[C@@H](NC[C@H](C)C(C)C)c1ccccc1	81045152	IONWTGWXRWQGAY-DOTOQJQBSA-N	247.426	4.656	0	10	BJAE	
Cc1ccc(C(C)C)cc1C(=O)CC(C)(C)C	82604587	WGKRJGBRVKUEIU-UHFFFAOYSA-N	232.367	4.737	0	10	BJAE	
C[C@H]1C[C@H](Oc2ccccc2Cl)CC[C@H]1C	85149866	VMPLLTNULAVZKW-GRYCIOLGSA-N	238.758	4.544	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@H](C)CC2)c1C	86879244	JGYIGQXJANXPAU-SWLSCSKDSA-N	231.383	4.684	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCCC[C@@H]1C	88509910	WNFXJARVGVXYAS-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CCCCC1CCC([C@@]2(O)C[C@@H]2CCC)CC1	92713235	WJQJPVSWTRKTDU-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]1Nc1ccc2sccc2c1	94305164	NFBRADFSRXVXPC-AWEZNQCLSA-N	245.391	4.892	0	10	BJAE	
CCC(CC)[C@@]1(O)CCC[C@H](C(C)(C)C)CC1	94676192	LCXWWAQAFWTQTP-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc2c(Cl)c(C(C)C)c(C)nc2c1C	109692956	CQIRQFSYMCIAMR-UHFFFAOYSA-N	247.769	4.937	0	10	BJAE	
CCc1cccc(C)c1NC1CCC(CC)CC1	109900233	XBHISZVTAAAURX-UHFFFAOYSA-N	245.410	4.938	0	10	BJAE	
CCCCC[C@@H](N)c1c(CC)oc2ccccc12	110235224	ZSFNYRUMLGQALJ-CYBMUJFWSA-N	245.366	4.575	0	10	BJAE	
CCCCCC[C@H](C[C@@H](C)CC)NCCC	124820508	GXRYNKVVSQIUBR-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CN[C@H](CCCC(C)C)c1cc2ccccc2o1	128198952	DVTPOTRVTLHUPD-CQSZACIVSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@@](CC)(CO)C1CCCCCC1	129991449	VAKACVOIAZSTRH-HNNXBMFYSA-N	226.404	4.536	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@H]1CCC(C)(C)C	155781055	ZEOHMKIHRUQHSG-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCC(O)(CCC)[C@H]1CCC[C@@H](CC)C1	163754684	LEAWVEAJKMYEAL-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCNC[C@@](C)(CCC)CCCC(C)C	166077186	UCVFZUISBMOXSE-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H](CC)c1ccccc1	168072759	GDBAJHNGPIVTIP-IRXDYDNUSA-N	247.426	4.595	0	10	BJAE	
CC(C)(C)P(C[Si](C)(C)C)C(C)(C)C	196718994	CWYHLFCABAAMJV-UHFFFAOYSA-N	232.424	4.943	0	10	BJAE	
Cc1cc(COc2ccccc2C)ccc1Cl	201889439	NSLXPLAXTDHZRJ-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
C[C@@H]([C@H](O)c1cccc2ccccc12)C(C)(C)C	204583246	GHBXXWDPXAIRIR-LRDDRELGSA-N	242.362	4.555	0	10	BJAE	
CC1(C)[C@@H]2CC[C@](C)(C2)[C@H]1NC1CCCCCC1	226968466	VFOJTEXOCPJZRX-UKPHBRMFSA-N	249.442	4.514	0	10	BJAE	
CCCC1(CN[C@@H](C)c2ccc(C)c(C)c2)CC1	233028430	RZXCXYWCLGUVSL-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
C/C=C/C[C@@H](C)c1ccc(Br)s1	238016335	SEIUHMLHKGIEEC-MPJRPATESA-N	245.185	4.580	0	10	BJAE	
N#CC[C@@H](c1ccc(C2CC2)c(Cl)c1)C1CC1	260493522	HVGSACQTWLKDNC-CYBMUJFWSA-N	245.753	4.625	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H]1CC[C@H](CC)C1	300128060	AZCDVYCSIMNGJB-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1[C@@H](C)CC(C)C	302614076	YPCZAGJUWZQVFI-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](NC(C1CCC1)C1CCC1)C1CCCCC1	306099931	PBSPNXHTCOJFCU-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CC1(C)CCCC1	308044620	DZSKKQNVTUUDRS-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](NC)c1ccc(C)cc1C	308079754	PQAIMTNXSBBJIN-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CC[C@H](CC(C)C)c1nc2c(C)c(C)ccc2[nH]1	308088339	MSZGGQHMCZIBJL-CYBMUJFWSA-N	244.382	4.719	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1CCCCC1	308112985	QFVPXXIQQSFVQF-HNNXBMFYSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@H]1C[C@@H](C)c2ccccc2N1	309264486	DZPXSEHBLCFYII-OLZOCXBDSA-N	217.356	4.555	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)c1coc(C)c1	310961914	BEHHGRQSHLXKBP-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCNCC1(C[C@H](C)CC)CCCCCC1	317178280	MMKSYFJDQPALGO-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CCCC(C)(C)C	379604467	AAPAZOGTEVEFCT-CQSZACIVSA-N	233.399	4.520	0	10	BJAE	
C[C@@H](CNc1ccc2sccc2c1)C(C)(C)C	383092141	XLAMIYSPCYCJQF-NSHDSACASA-N	247.407	4.995	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC[C@H](C)C1	383118356	BFWXFFJJPWOAEC-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCCc1ccc(C(=O)[C@H]2CCCC[C@@H]2C)cc1	384981620	JNKOBNSSQYHGCK-BBRMVZONSA-N	244.378	4.648	0	10	BJAE	
CC(C)c1csc([C@H]2CCCC[C@H]2C)n1	385007026	MUAXRIKTKGRQGL-MNOVXSKESA-N	223.385	4.560	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CCCC2)c1ccsc1	392818269	ZSSKVDCTDFCWPH-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
CSc1cccc(NCC2(C)CCCCC2)c1	394627819	AQPDJYVLMXJNHW-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CC(C)CCCCC[C@H](C)[C@@H](O)c1ccccc1	394741964	NMTQJTHGSBPBJV-DOTOQJQBSA-N	248.410	4.963	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(C)c(C)c1	395135690	UZSYJWVZJOIADQ-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CSc1csc2c(C(F)F)c(F)ccc12	396239239	KNWDFQJRLNZMMP-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
Cc1c(Cl)cc2nc(Cl)ccc2c1Cl	606291645	KRDPXXQZHONHJD-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2cccc(C(C)C)c2)C1	688939192	XIJSUOCZYZWAAY-BBRMVZONSA-N	244.378	4.819	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@](C)(O)CC2CCCC2)C1	689769620	UOCJXDJHZZTXFR-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
Clc1ccc(OC2CCCCC2)c(Cl)c1	694958959	CHPDOMWDNBBHKJ-UHFFFAOYSA-N	245.149	4.705	0	10	BJAE	
CC[C@H](N[C@H](C)C(C)(C)CC)c1ccc(C)cc1	695101855	XKZPSOXUBYCASA-ZBFHGGJFSA-N	247.426	4.860	0	10	BJAE	
CCc1ccc([C@@H](O)CCC(C)(C)CC)s1	696566551	FYQVJOKODFSFBW-LBPRGKRZSA-N	240.412	4.560	0	10	BJAE	
CCC(C)(C)CC[C@](O)(CCC(C)C)C1CC1	696680745	YRHDMGLKNCEANW-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCCCC1(C)C	696808683	ZDWPHWKVONCGRS-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
c1ccc2cc(NC3(C4CCC4)CC3)ccc2c1	697418561	UWOZDOOBHWOOEV-UHFFFAOYSA-N	237.346	4.584	0	10	BJAE	
CCCCCCC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	699048220	CAEOZUSPBCHXNQ-CZUORRHYSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCC[C@]1(C)O	699672850	VYLAWXUQEZQIJH-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CCCC(F)(F)C1	700347834	UNAXKPXGDSVZKB-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1scc(C)c1Cl	701111790	LPYJIVBJDKDJIV-LLVKDONJSA-N	246.803	4.570	0	10	BJAE	
CC1(C)CCC(C)(C)C1NC1CCC2(CC1)CC2	703904961	DTPSHVHSFVWCAI-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC23CC3)cc1Cl	706599771	BFNMJSDQCULCEB-AWEZNQCLSA-N	249.785	4.647	0	10	BJAE	
CC[C@H](NC[C@H](C)CC(C)(C)C)c1ccccc1	709095576	GGZHQTPPEOQURC-ZBFHGGJFSA-N	247.426	4.800	0	10	BJAE	
CC[C@H](C[C@@H](N)c1ccc(C)cc1C)C(C)(C)C	711048573	CZGWTHVCXHLZCN-GDBMZVCRSA-N	247.426	4.766	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1cscc1Cl	711523104	MTDXWYUHIQAFOY-NSHDSACASA-N	246.803	4.651	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C[C@H]2CCCC[C@@H]21	712524602	OBAVLZYHIYTHKP-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CC(C)(C)CC[C@@H]1C	713055674	BFJUIPXCKGTKSE-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC(C)(C)CC	713248161	MEAUOZFWGQCADO-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C=C/C=C\CCCc1ccccc1C(F)(F)F	713644082	JWTWKBWDWFMYQB-ARJAWSKDSA-N	240.268	4.770	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3CCCC[C@H]32)C1	714309527	CAIIMQYAIAIBGP-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714397896	VBLROXCQTHRDME-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
O=C(CC1=CCCCC1)c1ccc(C2CC2)s1	716566296	SCFDCACGCXZDBV-UHFFFAOYSA-N	246.375	4.699	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC(C)(C)C[C@@H]1N	717528967	QEGKKTGQTUCRMZ-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C1CCCCCC1	719203049	PWQVCZCGGCZPPM-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCCC1(C)C)C1CCC1	719307893	LWZQUXUQCVXGDJ-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@](CC)(CO)C1C[C@@H](C)C[C@H](C)C1	719372304	OYHLNVCJPJSDJU-OFQRWUPVSA-N	240.431	4.638	0	10	BJAE	
CCN[C@H](c1cccc(CC)c1)C(C)(CC)CC	721748847	OGWPIYVIODTSID-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCC[C@@H](NC1CC2(CCCC2)C1)C1CCCC1	1206247038	DXILIGZNWHUPML-MRXNPFEDSA-N	249.442	4.658	0	10	BJAE	
CCCCN(CCC(CC)CC)[C@H](C)CC	1900702019	OBDQDXLGWYKJEW-CQSZACIVSA-N	227.436	4.713	0	10	BJAE	
CCC(C)=CCNc1ccc(C(C)C)cc1	1900832380	LJPVPMOSXPCDCI-UHFFFAOYSA-N	217.356	4.578	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)CC1CCCCCC1	1908557163	ZRGDUFFQJOCDHK-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(OCC)cc1	1911970914	ONNMHHIYLPICDR-CYBMUJFWSA-N	218.340	4.545	0	10	BJAE	
CC(C)(C)NC[C@@]1(CC2CCCCC2)C=CCC1	1916338075	SYJNMIGOTBJVQU-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC([C@@H](CCC(C)=C(C)C)NC)C1	1921306861	WQOARBLVNMWDQM-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@]1(N)CCCC12CCCCC2	1921561531	GCUAPWRADUUSBG-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)[C@H](C)C1CCCC1	1924138163	HERQHGSLMYZNJT-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]([C@H](C)C1CCCCC1)C(C)(C)C	1924148519	LZKMTNWEUPWSNC-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](O)CCCCCC1CC1	1926391996	ATEYPCWUMJPIOS-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C(=O)[C@@H](C)CCC(C)C)C(C)C	1937171682	TXKBTKBEFQCFJR-KBPBESRZSA-N	226.404	4.700	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@H](C)[C@H](C)CC	1940795435	GMDSABAQBQAPNA-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC[C@@H]2CC2(C)C)C1	1940852363	DWGXICOXMVIJBE-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CCC[C@H]2CC2(C)C)C(=O)C1	1940874647	VAPRXVZUPMPBDT-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CN)CC=CC[C@H]1C	1940947208	ILSBHPPDEDJMBM-OWCLPIDISA-N	237.431	4.524	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H](CC)C(C)C	1941266734	JEAYTPRFDXUPJG-CVEARBPZSA-N	237.431	4.559	0	10	BJAE	
CC(C)C(C(=O)CCCCCC1CC1)C(C)C	1941586681	LWTRJBQWCQAFGW-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CCC(C)C)C1CC1	1942663729	UWTFEBCCOIMAES-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H]1CCNc2ccccc21	1942664114	WBOBQLTYCBMUCX-KGLIPLIRSA-N	231.383	4.658	0	10	BJAE	
CC1(C[C@]2(CN)CCCC2(C)C)CCCCC1	1944481969	YUBVOMQHQCVUSE-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H](C)CCNC1(C2CCCCC2)CCC1	1945294908	ZXVBBRXVLMKOSA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](CC)(CNC(C)(C)C)[C@H]1C[C@H]1C	1945829533	VYZLOYWPRGTNMW-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@](C)(O)c1cccc2sccc12	1945960828	PBTJLIOJOOCEKZ-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CC[C@@H](C)[C@H](N)CC1CCC(C(C)(C)C)CC1	1946687856	PYVPHPBQEDENBH-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC1CCC(C)CC1	1947470793	VODQTEWVHUZTFI-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1CC[C@H](C(C)C)CC1	1948560363	LSOJGEXGWWXBLE-WKILWMFISA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948584375	DLCCPOPIIRDEDW-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C[C@H](C)C(C)(C)C	1949046553	GLEKLOZQIIAWLB-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CCC2=CCCCC2)s1	1949048060	FNYRDAYQWFBZFL-AWEZNQCLSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](C(=O)[C@@H]1CCC2(CCCC2)C1)C(C)C	1949502708	XMQNDTIQCVIQJT-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@H]1CC[C@@H](C)C1	1949522386	YZHBWSAUKXZCDP-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCCCC(C)C)[C@@H]1C[C@H]1C	1950751803	UIVCKSNQJARCRQ-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1cc(Cl)cc(Cl)c1	1959209032	MXKOVLRNWRHTLR-UFBFGSQYSA-N	244.165	4.594	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCC2(CCC2)C1	1968238444	WZFLYEODYJPPGJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(NC2CC3(C2)CC(C)(C)C3)c1C	1968254041	AFUMPLNXUGQSQV-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCCC12CCC(CC1)C2	1973948337	GPUYIWJTTLQRNH-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
FC(F)c1csc(C[C@@H]2C=CCCCC2)c1	1977100883	HHLQDLROLFAXKO-SNVBAGLBSA-N	242.334	4.975	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)C(CC)(CC)CC	1978562928	JWONZYPFKIRBSJ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@H](C)CC	1978664981	TWJKFUWLYPFMMH-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCCC[C@H]1CC	1984574607	CNLUTHQTKJOVQA-KBUVRSHFSA-N	222.372	4.518	0	10	BJAE	
CC(C)[C@@H](C)CCC(=O)c1ccccc1Cl	1988291266	LFAARLMZUZTDPH-NSHDSACASA-N	238.758	4.595	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H](C)C1CCC1	1991161572	ZVUZNFVHLDGDKE-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@@H]1CCC[C@H](C)C1	1996548608	RSRKDEHSOWIAPM-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@](N)(CC)C1CCC(C)(C)CC1	1996592963	DXTWUVCHHAFSKA-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCCC(C)(C)CC1	1996618137	YAMCRZPPCYLKST-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)[C@H]1CCCC(C)(C)C1	2000104103	GRFNTMKKTVMHNV-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)c2cccc(Cl)c2)C1	2000191228	ZCVRXAIYEALHTL-MFKMUULPSA-N	248.753	4.515	0	10	BJAE	
CCC(CC)(CC)[C@@H](CCC1CCCC1)NC	2000324549	UJOWNWFJPPNXOO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](C)(CCC=C(C)C)CNC(C)(C)C	2000517025	ZBTPGTMKSRCJAF-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C1CC(C(C)(C)C)C1	2002327031	QRIFSAWMDARTGO-IYXRBSQSSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](N)[C@H](C)CC)CC1	2003067124	NMABHHFCRHAVRV-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](NC1CCCCCCCC1)C1CCCC1	2003097678	BSLFHPCEZYXWIA-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
O[C@@H]1CCCCCCC[C@@H]1CC1CCCCC1	2003117366	NNFCAEHCSFMZJA-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CCC1(CC)CCC(O)(CCC2CCC2)CC1	2004350677	CSVDNBFGVRUZQB-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)C2(C)CCC2)CC1	2004834577	OTZXYAKIUXDMHN-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H]1C[C@@H](CCC(C)(C)C)C[C@@H](C)C1	2006623280	IENOBDOHJGYKAY-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C(C)C)C1(C)CCC(C)(C)CC1	2007693777	XGNWFVVOPGRQAI-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@@H](O)C2(C)CCCCCC2)C1	2007751859	NCYJDKFOCVUGEV-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@]12CC[C@@H](Nc3cccc(Cl)c3)[C@H]1C2	2009130180	JCPZQDZVWWISLV-RBSFLKMASA-N	249.785	4.577	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1CCC1(C)CC1	2009534821	JRAHHLBGZFQUHN-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC=C([C@@H](N)C[C@@H](C)CC(C)(C)C)CC1	2010625456	NWXSDZAXFJACHX-NFAWXSAZSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCCCC[C@@H]1C[C@@H](O)CC(C)(C)C1	2012048665	ATHWBANBQXMSDK-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](O)[C@]1(C)CCCC(F)(F)C1	2014965151	DQWRTELVHNKWFT-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCC1([C@@H](O)CCC(C(C)C)C(C)C)CCC1	2015333732	DCTAHKALSWMTRW-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)[C@H](CCC(C(C)C)C(C)C)NC	2015358650	APPBHBOGWQVBNU-INIZCTEOSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CC[C@H](C)CC1	2017477224	GBVOCQWOQRIQOQ-FVQBIDKESA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)CCC2CCC2)CC1	2017774821	TYKRLPXEAGRSMB-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](NCC)C(C)(C)CCC	2022482982	HIULBUBDDDXIKQ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
Cc1cc(NC[C@H]2C[C@H]2C2CCCCC2)cs1	2022496258	QALBQLQEHWJCMP-HIFRSBDPSA-N	249.423	4.685	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2C[C@@H]2CCC)CC1	2022501602	JNQUGBHHUFUBSM-PYBGIAKNSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCC[C@@H]1CC1(C)C	2023319956	RWBUYRBNJUIOQX-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCC[C@]2(C)O)C1	2024115861	GCYDSKOIZYASCC-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)C1=CCCCC1	2026165192	ZLKSXAZDPZAZLN-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CC1(C[C@@]2(N)CCC[C@@H](C3CC3)C2)CCCCC1	2027306470	LDUUFFTXCJEKGR-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCC1(C)CCCCC1)c1ccccc1	2027317103	QADPDVCUUVSOBO-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CN[C@@H](C[C@@H](C)C1CC1)c1ccc(C(C)C)cc1	2027620493	HMHBMGOMXQWAKR-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
O=C(CC1=CCCCC1)c1ccc(C2CC2)cc1	2028593495	NCNBDOUSTJLMKD-UHFFFAOYSA-N	240.346	4.637	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]2CCC[C@@H]21	2028787348	RJLWKERNZDGBEC-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@H]2CCCC[C@@H]21	2028788137	XLIUMDNHQWSVRV-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)[C@H]1CCC[C@H]1C	2028898669	VFBBSBQEIQOSBO-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(NCC2CCC=CCC2)c1	2028901219	XWNPYMHBQVUMFD-UHFFFAOYSA-N	243.394	4.968	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1ccccc1C1CC1	2029839543	ZWKJLTAEUBXAMG-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
Cc1cccc(C(=O)[C@@]23CCCC[C@H]2CCC3)c1	2031850497	KDQHIVHGOPOIPG-DOTOQJQBSA-N	242.362	4.538	0	10	BJAE	
C[C@H](NCCC1(C)CCCCC1)c1ccccc1	2033215271	VOGFBTASDQMTCD-HNNXBMFYSA-N	245.410	4.698	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCC(C)(C)C1)c1ccccc1	2033377462	AIESXXKBAHRMNZ-DZGCQCFKSA-N	244.378	4.576	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)[C@H]1CCC(C)(C)C1	2033388169	PQMFCMBKTIOXFP-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)C(=O)C[C@H](CC)CC2	2034185494	YUKNVAKOGQAIMS-QWHCGFSZSA-N	244.378	4.745	0	10	BJAE	
C[C@H](C[C@H](N)[C@H]1CC12CCCC2)C1CCCCC1	2036099455	DMQRXBYVOQRKIH-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CCC=Cc1ccccc1	2037116578	SZMNCLOWMMYWIT-QGZVFWFLSA-N	245.410	4.634	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1[C@H]1CCC[C@@H](C)C1	2037223685	KKMFKYMDZNOYNF-WVZRYYJFSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@H]1C=CCCCC1	2037271468	DPBOHTYHFYTPEX-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C[C@H]2C=CCCC2)C1	2037305754	USHHXKZAWBTMTJ-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)C[C@@H]1C=CCCC1	2037307694	UVEZUYGXKJSRNJ-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CCc1ccccc1O[C@@H]1CCC2(CCCC2)C1	2037683872	VXXVFJGVSWCWHT-OAHLLOKOSA-N	244.378	4.741	0	10	BJAE	
CC(C)NCC1([C@H]2CC[C@@H](C)C2)CCC=CCC1	2037698045	LHXQQPGFEGHRLP-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CC2CC3(CCC3)C2)C1	2038083847	UGCYQRJJIPGXMF-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1CC2(CCC2)C1)C1(CC)CC1	2038089386	GAXGUWGJMBGTNP-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@]2(CN)CC23CCCCC3)CCCCC1	2039008408	HGBDFXCBKXHGQQ-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@]2(N)CC23CCCCC3)C1	2039009731	SIPOMRJREFIDEX-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H]2C=CCCCC2)CC1	2039031269	CYUTVNSIEFJXGU-IKGGRYGDSA-N	249.442	4.680	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)C[C@H]1CCC[C@H](C)C1	2039433991	GJUUNWVDQDKRCT-ZZTPXLKCSA-N	249.442	4.523	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@@H](N)CC1CCC(C)CC1	2039434475	JMSFORJJQLKGBD-XNCKGVHHSA-N	249.442	4.523	0	10	BJAE	
CC1(CC2CCC3(CC2)C[C@@H]3CN)CCCCC1	2040476583	DMXYNTSJRAGKQC-ISXOHVOVSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H](N[C@@H](C)C1CC(C)C1)c1ccccc1	2043543836	NGQBQEVNPDLFEM-VLVHBFOGSA-N	245.410	4.552	0	10	BJAE	
C[C@H]1C[C@]1(C)CNC1CCC2(CCCCC2)CC1	2045668947	YBNRUCAENLGLDH-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C(=O)[C@@H]2C[C@H]3CCCCCC[C@@H]32)C1	2047423896	FTUSBTQZNOQKEE-VHDGCEQUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H]1CCC12CCC2	2047941384	BYXSVOBKNOTLLY-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1[C@H]2CCCCC[C@H]12	2048387562	YKPKDIIVHJAWNZ-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
O=C(C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCCC1	2048467882	XQOQLWBSJJPIIL-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1NC[C@]1(C)C=CCC1	2049982080	QGFDAFXOMHCCSY-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1=CCCCCC1)c1ccc(C)cc1	2050439194	SGXKGZVWUJNYJX-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CC(=O)c1ccccc1C	2050449594	IWQKMRCPTCKGMN-CABCVRRESA-N	244.378	4.784	0	10	BJAE	
C1CCC([C@H]2CCCCN2CCCC2CC2)CC1	2051674629	LMJAWQUJFFPRJT-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CC(C)C[C@@]1(CNC2CC2)CCCCC12CCC2	2053352697	PDMRACKQMLZKJA-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@H]2CCCCC23CC3)CC1	2053435005	ZHAQGPVJWPQUGS-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC=C[C@@H]1NCCCC1CCCCC1	2055546277	XOVVUTGYVMDEPG-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC1	2055847312	ZVFCCILCDHVWNK-BZUAXINKSA-N	249.442	4.680	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC2CC(C3CC3)C2)C1	2056666001	LCACCIWTVZHAMG-FKFRUQKQSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1CC(C2CCC2)C1	2057486185	KHCSBCKLAGXGAU-OFLPRAFFSA-N	249.442	4.501	0	10	BJAE	
CCCCC1CCC(N)(C2CC(C3CC3)C2)CC1	2057827727	XVTJPVKZLXHRJJ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](NCC)C1CCC2(CC1)CC2	2059221082	IRINQGKYKPZHPT-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC=C([C@H](N)C2(C)CCC(C)(C)CC2)CC1	2060926797	TVNVBOCYVLQQJF-ZFWWWQNUSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C1=CC[C@@H](CC)CC1	2061084000	HEDYWDKNONGSOV-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC2CC(=C3CC3)C2)CC1	2061223034	SHIPVJFQGRMJHP-CJNGLKHVSA-N	247.426	4.578	0	10	BJAE	
C=C=CCC[C@H]1CCCCC[C@@H]1CNC(C)(C)C	2061562546	FNQMIKDLTUNOQH-JKSUJKDBSA-N	249.442	4.692	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C[C@]12CCC[C@@H]1C2	2061615951	HXISEHWCTSFKHY-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](CN)(CC[C@]23CCC[C@H]2C3)C1	2061621288	FEBLJOXPPMGION-XIRDDKMYSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@](O)(CC1CC(=C2CC2)C1)C1CCCC1	2061685796	VVWFMDIDBMBFJE-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1C[C@H]2CCC[C@@H]2C1	2063411019	YBTXTYKQPIXHAL-RBSFLKMASA-N	246.394	4.518	0	10	BJAE	
CN[C@H]1C[C@H](CC2CCC=CCC2)CC(C)(C)C1	2063643516	UXMIZVVUVBWSSV-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](CC)c1occc1C	2063677878	MFGUTNOMWSOKTN-KFWWJZLASA-N	249.398	4.598	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cc(C)ccc1OC	2065991683	ZTDZNEHBEIARJS-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CC(C(C)C)C(C)C)c1	2068835811	FDXJFLGRLWPXKM-QGZVFWFLSA-N	247.426	4.622	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)c1cc(C)c(C)o1	2068911447	JFTNFZWDKRZFKN-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
CCC1(C[C@H](NC)[C@H]2CC(C)=C[C@@H](C)C2)CCC1	2069281625	ZNWADZGQOBUPTB-BMFZPTHFSA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@@](O)(CC)c2ccc(C)cc2)CCC1	2069285292	QFBABIHLMWGUDE-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@]12CCC[C@@H]1C2	2070969439	AOEAZEKRJFGCLY-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CC2(C(C)C)CCC2)c1	2071897436	OWJYQJRJHWMTQY-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
C[C@](O)(CC[C@H]1CC[C@H](C)CC1)c1ccccc1	2072775248	MKUCQCARXTXXMO-ZOBUZTSGSA-N	246.394	4.501	0	10	BJAE	
CCC1CCC(C[C@H](N)C2(C3CCC3)CC2)CC1	2072792822	DOGMXZSBGYYVQR-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@@H]3CC[C@@H]32)CC1	2072806978	QQBZQDDIHXUHII-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@H]2CCCC23CCC3)CC1	2072872011	WMIIUJQAKHFUJA-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CN[C@]1(C)CCC(C)(C)C1	2073068548	UALAUDZAOHHEMQ-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@](O)(CC)c1ccc(C2CC2)cc1	2073351114	SDHWQDWIMQDQBG-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)[C@@H]2CCCC3(CC3)C2)C1	2073782033	QHJWINVFGLDMQR-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(N(C)[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1	2074802752	SFFNZVPSWKVMBE-GRDNDAEWSA-N	245.410	4.510	0	10	BJAE	
CC[C@]1(C)CCCN([C@H]2C=CCCCCC2)CC1	2074803875	DXVZIDWXNIRJGD-DLBZAZTESA-N	249.442	4.778	0	10	BJAE	
CCCCCCN(C)Cc1ccc(C2CC2)cc1	2075085729	DCSPGOXCSYFRFN-UHFFFAOYSA-N	245.410	4.576	0	10	BJAE	
CC=C(CC)[C@@H](NCC)c1ccccc1C(C)C	2077196910	WZTQMIUXYPSLDX-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
C1CCCC(NC[C@H]2C[C@H]2C2CCCCC2)CC1	2079444886	VYJUNOXZSGCZJJ-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1cccc(C2(C)CC2)c1	2079648973	DEQNWGPDMVUVAC-ZIAGYGMSSA-N	243.394	4.586	0	10	BJAE	
CC(C)NC[C@]1(CC=C2CCC2)CCCC1(C)C	2081676190	IYYHAUMGUUHZKL-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCc1ccccc1	2086055085	YAZWGTSMQCOFGU-NVXWUHKLSA-N	247.426	4.553	0	10	BJAE	
CCC[C@H](C)[C@H](O)CCCCCCC1CC1	2210526788	JIVGWXQYABQPPR-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
O=C(CC1C[C@H]2CCC[C@H](C1)C2)c1ccsc1	2213281464	WRQPZXJMXWXAMJ-RYUDHWBXSA-N	248.391	4.537	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)CC1CCC1	2213573674	KJXBYBMKZLYVNV-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(CN)(CCCCC2CC2)CC1	2214568106	FSGMBTPFTKGZOB-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CCCCC2CC2)C1	2214586733	XJWSVIFKADVVSK-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCCC(=O)c1c(C)[nH]c2ccc(Cl)cc12	2214994737	RTXXLOKVAUWKNY-UHFFFAOYSA-N	249.741	4.503	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)CCC(C)=C(C)C)CC1	2215816632	YIKKMOZMGWFCTO-JKSUJKDBSA-N	235.415	4.587	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)CCCC(F)F)C1	2216422182	XIAQNBAAEYEIHM-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](O)CC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216745553	XCFDYWISVPPEFF-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@@H](CCCCCCCC2CC2)C1=O	2216879557	KIKGIUBCXDGYKW-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@H]1CC[C@H](C)C1	2217125989	SCRDUIXGNFLOPH-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CCCC(C)(C)C)C[C@@H]1C	2217155099	ZOCKPPGVFWXAPV-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN(CCCC2CCC2)C1	2218171930	HOBQDFDSKKCMKY-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CCC1(C(=O)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218372295	AHFLKFWYLFMFTG-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C/C=C/c1ccccc1	2219085131	LIMFBXBTPFCNNK-YCABEKBOSA-N	244.378	4.731	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2220038644	NRMHRBUFIDQIAQ-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2220631274	OYVUZZQCFAJRNB-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cc(NC2CCC(C)(C)CC2)ccn1	2220884558	CQLDVPJBEPPJGW-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@]1(C)CC=C(C)CC1	2221627352	AZJQVGXAPLSHIG-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C)c1ccc(C)c(C2CCCCC2)c1	2221807905	QCPUQNIGFZXERW-AWEZNQCLSA-N	245.410	4.713	0	10	BJAE	
CC1(C)C[C@@H]1C(=O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222948547	IZZHOLAAGJAWNN-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCNCC1=CCCCCCCC1CC1	2223109411	JBODWMCABIQGEW-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CC2CCCC2)CC12CCC2	2223547303	DOXABCYQDHUHTB-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C1CCCC([C@H](CNC2CCC2)C2CCC2)CC1	2223563493	GRIFSRICAFPTRR-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CNC1CCC1)C1CCCC1	2223584435	RVDZDXZCIKYIJB-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1(CCC)CCC1	2244778249	RIGDHYHMUIDSDG-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC(C)(C)CN	2244843517	PYPNDBUEVNQHNG-CQSZACIVSA-N	227.436	4.604	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCCC[C@@H]1C[C@H]1C	2247157136	BQAAHRJYGQBOJB-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(N)CCCC(C)(C)C1	2247175242	ISOCPQBQJOUNMZ-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccc(C(C)C)cc1	2250363258	ZABCAQZWSQNYAM-CJNGLKHVSA-N	233.399	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@H](CN)C(C)C	2250475093	PDTWEHNLOYNREE-HZPDHXFCSA-N	241.463	4.850	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)[C@@H]1CC[C@@H]1C	2250478769	MAAHUHHVADUBRC-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](NC)[C@H](C)CC[C@@H](C)CCCC(C)C	2250480227	DKGSMAJOSDOQSL-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H]2CCC(C)(C)C2=O)C1	2251712118	LTSVXTAGKHTHRJ-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@](C)(N)[C@]12CCCC[C@H]1C2	2254588287	SFQVLLZGDOUGMR-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC[C@@H]1CCCC12CC2)C1CCCCC1	2255313900	VSRJJALCRBCTLI-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(OCCCCC[C@H]2C[C@@H]2C)c1C	2257247185	JMTBEHILQMWMLK-HOCLYGCPSA-N	246.394	4.899	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@@H](N)C1CC2(CCC2)C1	2257280187	FKPFURAFWXCOJI-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)c1ccc(C2CC2)cc1	2259436741	IIJYBBYEBYZMDN-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H](CC)[C@@H](C/C=C/c1ccccc1)NC	2259440408	FJOLEWGFZBBROW-WZFZXHKMSA-N	245.410	4.504	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)Cc1ccccc1C(C)C	2259445495	BJWTXHYOJQVQFI-PBHICJAKSA-N	247.426	4.506	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@]12CCCC[C@@H]1CC2	2260495801	ZQMUQIGNCFXPQL-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CC(C(=O)C[C@@]23CCCC[C@H]2CC3)C1	2260626009	PYUFQJRYFZKBHI-NDTCATRNSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@]12CCC[C@@H]1CC2	2260675403	YBXXRHSAVVHUCG-OIISXLGYSA-N	249.442	4.645	0	10	BJAE	
CC1CC(CCC(=O)c2ccc(C3CC3)cc2)C1	2261505962	OMMPCJILFVMDRH-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298390380	PPVURHUPEXQAFY-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCC[C@H](CC)CC1	2300701915	UZEJXXKLTYSYDF-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CCC(=O)c1cccc(C)c1F	2300706635	RVCIVIUQSFLATQ-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCC[C@H](C)[C@@H](O)CC=C(C)CCCC(C)C	2300866526	AAFBAXDCKGFQGB-HOTGVXAUSA-N	240.431	4.946	0	10	BJAE	
C[C@@H]1CC[C@@H](O)[C@@H](CC2CCCCCC2)CC1	2301240062	WIEKTWMPQRXSCP-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)CCC1=CCCCC1	2301922329	XVRUTYOVWJEWJT-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
CC(C)C(CCC[C@@H]1CCCC[C@H]1N)C(C)C	2302661546	OWXCGJFGVQOHOB-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](O)C2(C)CCCCC2)C1	2302711487	ZIEQJDURXCRNGV-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1CCC(C)=C(C)C1	2303602131	ULEKBEZDIGIDSO-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CC(C)C(C)(C)c1nc([C@]23CCC[C@@H]2C3)cs1	2307698591	YZHBTLHJLDATNX-ABAIWWIYSA-N	249.423	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(C)(C)CCC1=O	2307801643	ONXYNRDUDDCMAO-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCCC1CC(CNC)(C[C@H](CC)CCC)C1	2307840339	DYZRBFHVUCCKJM-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1CC(C(C)(C)C)C1	2307910100	XCAFAPUFQGJABR-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@H](N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309185007	PNCUDLUZPVXLNM-QUSNUVHPSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC[C@H]1C)[C@]1(C)C=CCCC1	2309424213	NMGJOTSXXFBRQJ-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2CCCCCCCC1CC1	2312600573	BZBIVKGYZIHTKM-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1C[C@H]2CC[C@H](C2)C1	2314421093	DKMBSXZDBOKAPL-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CC[C@@H]2CC[C@@H]21	2315891629	MLNFBKDSHNKYOC-BPUTZDHNSA-N	243.394	4.719	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316738821	LMQCCEJZOCSAEK-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCC[C@H]1CC2)C1(C)CCCC1	2316947655	UBBQAHOGCBVFLT-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2317012892	KSGXMWJNUNAPTL-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCC[C@H](C[C@@H]2C[C@H]3C=C[C@H]2CCC3)C1	2317212047	QKHFDPWNKUMJSV-FPCVCCKLSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H](C)C2(C)CCCC2)CC1	2320230426	HFOFHBXOMOIIHA-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(NC[C@H]2CC[C@H]2C(C)(C)C)cc1C	2320319496	GCEAJSRUSFMIBR-GDBMZVCRSA-N	245.410	4.788	0	10	BJAE	
Cc1ccc(F)c(NC[C@H]2CC[C@@H]2C(C)(C)C)c1	2320320380	NPMLVEIGVYLMFD-OLZOCXBDSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@@H](CNCCC(C)(C)C2CC2)CC1	2320372648	IMDTYXMNFCNQCK-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H](C)C2(C)CCCCC2)CC1	2320422210	GACFMKOYLFECFZ-HOTGVXAUSA-N	249.442	4.824	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)Cc1cccc(C(C)C)c1	2320623686	OZUMQICBANRVBX-RHSMWYFYSA-N	247.426	4.506	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)c1cccc(C2CCC2)c1	2320656035	YFVGXBZZPIJOFH-PXAZEXFGSA-N	242.362	4.573	0	10	BJAE	
CC1=C(C)C[C@H](NCC[C@H]2CCC(C)(C)C2)CC1	2321629051	XHLJIXDZBQJRAE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)C2CC3(CCC3)C2)C1	2321638087	YGTHORYAZBTMQN-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@@H](NC)c2cc(C)ccc2C(C)C)CC1	2327661397	WZXCIJWCVYODSV-INIZCTEOSA-N	245.410	4.569	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](N)c1cc(C)ccc1C(C)C	2327673769	SXAKIDYABCIXHO-CKEIUWERSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)CC[C@@H]2C[C@@H]2C)c1	2327783045	YAJQQCSMGXQEEW-JJRVBVJISA-N	246.394	4.588	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)C2CC=CC2)c1F	2327803318	ZXBLUNCHKWIRRN-LBPRGKRZSA-N	247.357	4.716	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@@]3(C)C[C@@H]23)c1F	2327808175	RZGGHRBUCRWAOV-ZENOOKHLSA-N	247.357	4.550	0	10	BJAE	
CCc1ccccc1N[C@@H](C)c1cc(C)oc1C	20438345	BZIQOWJYEKUDIR-LBPRGKRZSA-N	243.350	4.632	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](C)c2ccccc2C)c1	20471691	QGJCGMCZRVVJSK-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCCC[C@H](C)Nc1ccccc1Cl	21505021	QPWVHVDOXLMOLF-NSHDSACASA-N	225.763	4.721	0	10	BJAE	
CCC[C@H](C)Nc1ccc2sccc2c1	36976112	DEAVSPQSDNUBON-JTQLQIEISA-N	219.353	4.502	0	10	BJAE	
CC[C@H](C)Nc1ccc(SC2CCCC2)cc1	37085895	CQLFKFWLHBUAGG-LBPRGKRZSA-N	249.423	4.932	0	10	BJAE	
CC[C@@H](Nc1ccc(C)c(Cl)c1)c1ccco1	54082491	PXWCLBXNPQOKNE-CYBMUJFWSA-N	249.741	4.805	0	10	BJAE	
Cc1ccc(C)c2c(C(C)C)cc(Cl)nc12	77255205	BHHNTRYUSNABMR-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(c2ccccc2C)CC1	86950977	STSLGOHIDNYCMH-NVXWUHKLSA-N	246.394	4.563	0	10	BJAE	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC1CCCCCC1)C2	105803795	VQAOWXMGXIYMID-LXZKKBNFSA-N	249.442	4.514	0	10	BJAE	
CC/C=C\C[C@H](CC)c1cc(C)ccc1O	107486727	JSSFXYQISMEZGE-FWWRYZNZSA-N	218.340	4.551	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CNCC)CC(C)C	110182936	MGSATJHUHWCSDQ-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CCC(C)(C)C)cc1	112885174	RQHQOAANTXHLLM-HNNXBMFYSA-N	234.383	4.670	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@H]1CCC[C@H](CC)C1	126067474	LCJGGHHLWQAMON-BPUTZDHNSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1C[C@H]1c1ccccc1	128389206	QYUFJLGCUNEUKV-JKSUJKDBSA-N	244.378	4.576	0	10	BJAE	
CCCCCC[C@H](N)c1cc2ccccc2s1	158476822	TXDWSDQDFXZAIF-ZDUSSCGKSA-N	247.407	4.872	0	10	BJAE	
Cc1ccc2ccccc2c1[C@@H](O)CC(C)(C)C	160971591	AJDHBRGBNCAAFM-HNNXBMFYSA-N	242.362	4.618	0	10	BJAE	
Cc1ccc2ccccc2c1[C@H](O)CCC(C)C	161000684	DSADLTSIMRCYIG-MRXNPFEDSA-N	242.362	4.618	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCCC[C@@H]2C(C)C)c1	214427295	SEKVLCYWHNQXHW-CVEARBPZSA-N	245.410	4.930	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1NCCC1=CCCCC1	214444891	LJQPEMSXSBJPHA-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1	221147761	PTKNMQBHMQPCHC-HEHGZKQESA-N	244.378	4.504	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCC[C@H](C)[C@@H]1C	221823894	VFXDFQJZRYTWSN-RWMBFGLXSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@H](CC)NCCCC1CCCC1	225031807	KYWUELUCNRAXON-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1CCCC1(C)C	226819914	LWESWRZIKXUWMJ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@]1(O)CCCC(C)(C)C1	226908398	PMXAAIDNLTXGOI-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](/C=C1/CCc2cc(N)ccc21)CC	227447292	HUFASCMQKPZHFJ-KECPUOCWSA-N	243.394	4.815	0	10	BJAE	
C[C@@H](C[C@H](N)C1CCCCCC1)CC(C)(C)C	229144887	WCRFNYDPUJDCSC-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)c1ccc(OCc2ccc(C)o2)cc1	232358442	XFYDQYASXGPERS-GFCCVEGCSA-N	244.334	4.681	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2C1CCCCCC1	232451909	MBQJEACVZUEQHS-AWEZNQCLSA-N	229.367	4.556	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(C(C)=O)cc1	233042237	FVCCMECFYILXEV-AWEZNQCLSA-N	247.382	4.518	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C1=CCCCCCC1	300141225	RHIGVKMZOZWPNI-GOEBONIOSA-N	237.431	4.811	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCC[C@H]1C	300369600	YQIOHOVEWOGTSC-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
CCCC(CCC)C(=O)CCC1CCCC1	300778686	REIBMJGYMAQCBL-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@@H](C[C@@H](C)CC(C)C)NCC	300916048	MJZIPEVNFGOUGH-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C[C@H](C)C(C)(C)C	300992041	VUHSIOXNLLZACX-STQMWFEESA-N	226.404	4.700	0	10	BJAE	
Cc1cc2ccccc2n1CCC1CCCC1	302238523	CAVDORJBDOXOMY-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)C1CCCCCC1	302304494	FEIXJNZZTITHQR-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
O=Cc1ccc(SCCC2CCCCC2)cc1	304125084	HQCFPFPSHSZUCQ-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)c1coc(C)c1	306019479	YDJGZGHCDMXCMI-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CSc1c(Cl)sc2c(Cl)cccc12	307207058	IZCLHTBXYRWDHR-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H]1CCCCC12CCCC2	310775828	QILWTRNOTAWZQX-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@@H]1CC2CCC1CC2	311173483	SFTLVXXLBJEVCU-BACDZXNISA-N	249.442	4.501	0	10	BJAE	
CCCCCC1(CNC)CCC(C(C)C)CC1	317196353	NCYNDTDXVMORGN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C1CCC(O)([C@H](C)C(C)C)CC1	319328983	JNDGRRQDYKYLHY-VQCLRJIVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@]1(CC2(C)CCCC2)CCCCCN1	379883706	CHFURMVUEKCABG-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CC(C)CNCCCC[C@@H](C)C1CCCCC1	380037311	QTYNWIIWIUOZQS-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@@H](C)C(C)(C)C)c1ccccc1	384340670	XJFUHOBGLUNYFH-IIAWOOMASA-N	248.410	4.613	0	10	BJAE	
CC/C=C\CN[C@@H](C)c1cc2ccccc2s1	384731201	JPJABISSTAOTAN-KMSCOEIWSA-N	245.391	4.518	0	10	BJAE	
CCC(C)(C)c1csc([C@H]2CCC[C@@H]2C)n1	384969151	IEWAEBBRPCLTBQ-QWRGUYRKSA-N	237.412	4.734	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cccc2ccsc12	386287049	GVKACHRBEZBAKU-RISCZKNCSA-N	248.391	4.761	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H](C)CC1)C1CCCC1	387556342	VZKGTGQPGIKKME-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CCc1cc(F)cc2cc(C(F)F)sc12	396204316	XDDBIPXNSKDFMM-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CCCC2)[C@H]1CC1(C)C	397666917	PGBGCCANTGMCLP-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCC1CCC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	398857693	QJYFUNMGQAKICY-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@]1(CCCC2CCC2)CCCCCN1	688358316	ZKQBGFAUUAHDIE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](CCCC2CCC2)C1	688801724	LQEBSMBRJLJWAX-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1CCCC1(C)C	689757780	XHVJZZSZFTVOSR-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(N[C@H](C)CC2CCCC2)cc1C	689780964	KBXCIJGRQAGIBS-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
C[C@@H](CNc1cccc(C2CC2)c1)C(C)(C)C	690159021	KQAKIEFBPRUWRP-LBPRGKRZSA-N	231.383	4.658	0	10	BJAE	
C1CCCC(CN[C@@H]2CCCC3(CC3)C2)CCC1	695717349	POSHHZBYCWXAQM-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)CCCC[C@@H]1C1CC1	696094759	QLRYYLDEHMXPOH-SJORKVTESA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)CCN[C@H]1CC[C@H](C)c2ccccc21	696173853	IZJWMPRXUHBEQN-ZQIUZPCESA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](CCC(C)(C)CC)NCCC	696633829	MEIWEASFQSQPGE-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)CCNCC[C@@H]1CCC[C@@H](C)C1	696783477	RPLVSPMDPYEHIU-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CCC[C@H](NC)c1ccccc1	696799023	IGTMEUMMAIVSFX-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C1(C(C)C)CC1	697558979	OYZFFGMURNKSCW-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1CCC=C(C)C	697747113	ALAWMEVOCZPJSZ-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1C[C@H]1C(C)(C)C	699765163	BAQZEQGSDDIINN-LSDHHAIUSA-N	244.378	4.675	0	10	BJAE	
CCCCC1CCC([C@H](O)C(C)(C)CC)CC1	701047292	DXEOLHDHFPGOGR-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@H]1CCCC[C@@H]1C	704851479	MESSTEKKAJYJAJ-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(N)CCC(C)(C)C)C1	704856322	RXZDOGICGGFMEY-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)(CC)C[C@H](C)C1CCCCC1	704973287	OWNBGFXAPXQWLT-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CN[C@@H](c1cc(C)c(C)cc1C)[C@@H](C)CC(C)C	708297783	PGKFDPBMDQOLOQ-DOTOQJQBSA-N	247.426	4.555	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@H](C)C(C)(C)C	709117318	INZOOTFMJJVCMN-RYUDHWBXSA-N	226.404	4.700	0	10	BJAE	
Clc1ccccc1N[C@H]1CCCC[C@H]1C1CC1	710174153	VBYHLNMKJYXELK-JSGCOSHPSA-N	249.785	4.721	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)c1cscc1Cl	710451486	IOOIIZSYQYNCLG-KCJUWKMLSA-N	246.803	4.507	0	10	BJAE	
C[C@@H](C[C@@]1(O)C[C@H](C)CC(C)(C)C1)C(C)(C)C	710734403	DSKBJBHXANHDCH-WWGRRREGSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C[C@](C)(O)CCC(C)(C)C)C(C)(C)C	710795196	APPJNRUOZCLPPX-SWLSCSKDSA-N	228.420	4.636	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)(C)C)C1(C)CCCC1	710833515	ZHRQSUHRXOALRP-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCCC2(CC2)C1)C(C)(C)C	711149057	SPYNNDZLDYLYJM-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1cc2ccccc2s1	713137588	AIPQKJLRDZTLSQ-GFCCVEGCSA-N	247.407	4.598	0	10	BJAE	
CCC(C)(C)CC1(O)CCC(C(C)(C)C)CC1	713167656	GXTMFTWLWKZMEQ-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCC[C@](O)(CC(C)(C)C(C)C)[C@H]1CC1(C)C	713258027	LNODBOWUQICXKM-BBRMVZONSA-N	240.431	4.636	0	10	BJAE	
C1CCCC(CN[C@@H]2CC[C@H]3CCCC[C@H]32)CC1	714313876	DMKYACXXOMYRDJ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)c2ccc(C3CC3)s2)C1	716559046	BJBLEZROQAGJHS-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1C1CC2(CCC2)C1	717523116	JMTDHZRATWPPBU-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)NCC[C@H]1C1(C)CCCCCC1	721791781	AXFPIRQMVUWVPS-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](O)c1c(C)sc(C)c1C	722499660	ZCNDPMONFDEOIK-CYBMUJFWSA-N	240.412	4.677	0	10	BJAE	
CCCC1(CN[C@@H](C2CCCCC2)C2CC2)CC1	723951367	NHAQBNFKKHFARB-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCCC1(NCC[C@@H]2CCC[C@@H](C)C2)CC1	1308141922	FFQXWPUYHGYVOB-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC(NC[C@H]2CCC=CCCC2)C[C@H](C)C1	1308545295	CLQVFRLSWZNKEM-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2C[C@H]3CC[C@H]2C3)CC1	1656570295	GIAZYCZCMRJOKI-DZKIICNBSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NC1CCC2(CCC2)CC1)c1ccsc1	1664450793	VCYMPZXILXHNMN-LBPRGKRZSA-N	249.423	4.512	0	10	BJAE	
CC(=CCCNC(C)(C)C)CCC1CCCC1	1883150627	MMFAUXYJJYJQHB-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@](O)(CC1CCCCCC1)C(C)(C)C	1901113223	WKGOSFJEVMIXJW-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)C1(Cl)CCCC1	1905373008	BMFLBHWZZCRYSJ-STQMWFEESA-N	246.822	4.505	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)CCC1CCCC1	1905445952	SJDJJBRZCBJHQQ-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@H](CC[C@@]12CCC[C@@H]1C2)NC	1908420976	QDEVTCPWMGKDEB-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@@H]1C[C@H]1C(C)(C)C	1910867258	UVMYWXMGTRZDIF-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
CC1(C)C[C@@H]1C[C@@H]1CCCCCCCC[C@H]1O	1913391810	OYNWJOAYSIADMB-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@]1(N)CCC2(CCCCC2)C1	1915915684	ZKWXHYWUXUANCW-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1N[C@H]1CCC2(CCCC2)C1	1916404726	BZZDIUVVTNXKQF-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H](C)CC(C)C	1919961697	SBGIZHHYIXTEEI-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
C[C@@H](Cn1ccnc1C1CCCCC1)C(C)(C)C	1923607907	LGVSPMQQMTVXHM-ZDUSSCGKSA-N	248.414	4.613	0	10	BJAE	
CCN[C@@H]([C@H](C)C1CCCC1)C(C)(CC)CC	1924080009	ZYZYMVHWDJHEMH-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@H](C)C1CCCCC1	1924110843	NBJURMJHJUAURD-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)C[C@H]2C=CCCC2)c1	1925537585	FWVSXZJSAFBIMD-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C[C@H](C)CC(C)C	1926385694	XMYKMDJFWNRPJZ-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC[C@H]1C=CCC1)c1ccccc1	1932593129	PHAMKDRLBGGWOZ-KGLIPLIRSA-N	200.325	4.537	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](C)C(C(C)C)C(C)C	1940252175	IDCHSYJAODQMRY-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)C1CCCCCC1	1940279251	ILLJASVNJMHJGF-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C[C@H](C)c2ccc(N)cc2)CC1	1940965344	GJVNCZPOMNAXOU-MOKVOYLWSA-N	231.383	4.589	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C(C)(C)C1CC1	1941140470	UUSMPDOJACVAHW-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](N)C1=CCCCCC1	1941271423	DKRXEGQWFBANFK-CVEARBPZSA-N	237.431	4.523	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC(C)(CC)CC)CC1	1941357894	UUTYOZPYCVXGIL-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)CCCCCC1CC1	1941584736	BMBBOYXKDJDJBL-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC(F)F)CCC(C)(C)CC	1942301812	JFHPIYUATIYIDZ-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCc1ccc(C(=O)[C@@H](C)CCC(C)C)cc1	1942652451	HPHIKSKRKQBSEA-ZDUSSCGKSA-N	232.367	4.504	0	10	BJAE	
CCCCCC[C@H](N)[C@@]12CCCC[C@@H]1CCC2	1944156745	SSHNONVHWRTZRQ-OWCLPIDISA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)C(C)(C)C1CCCC1	1944621984	ITUDYDXETQMMGT-HIFRSBDPSA-N	240.431	4.636	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@H]2C(C)C)c1C	1947466647	ZHWHPWNVJZDHPA-HOCLYGCPSA-N	231.383	4.540	0	10	BJAE	
CC[C@]1(C)C[C@@H]1NC1CCCCCCCCC1	1947878173	FGMXLYLGGDVRPJ-JKSUJKDBSA-N	237.431	4.658	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)C1CC(C)(C)C1	1948146724	NUGNWTPTZGIZRA-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CCC(N)(C2CC(C)(C)C2)CC1	1948152560	FQQUDJQHGTUPRP-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C(CC)(CC)CC	1948931186	VGWDFBXLCHDKOO-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC(C)(C)[C@H](N)C1	1949651377	ATSKKDCWEWUSTR-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H](N[C@H]1C=CCCCC1)c1cccs1	1950617853	CXVKSVLSPHSQJG-DZGCQCFKSA-N	249.423	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)[C@@H]1CCCC(C)(C)CC1	1950913125	DULNSFMTWLWXMT-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CC=CC[C@H](CC)c1ccc(OC(C)C)cc1	1951309158	VXXITOCZFIYQSB-AWEZNQCLSA-N	232.367	4.934	0	10	BJAE	
CC=CC[C@H](CC)c1cc(C)c(OC)cc1C	1951309185	WLHZSELPVJLNPK-AWEZNQCLSA-N	232.367	4.772	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1ccsc1Cl	1959882737	HZXZYFQSBMHZOZ-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CCC(CC)[C@H](C)NCC[C@H]1CCC[C@H](C)C1	1963157255	PVSPIEUPMJEOBR-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CNc2ccccc2C)CC1	1968252974	WTQIFXYILGMXNT-UHFFFAOYSA-N	231.383	4.623	0	10	BJAE	
CC(C)[C@H](C)N[C@@H](c1ccccc1)C1CCCC1	1969087393	RXBZZYVRTNYCPM-YOEHRIQHSA-N	245.410	4.552	0	10	BJAE	
CC(C)CC[C@@H](C)NC[C@H]1CCCCC1(C)C	1970080868	ZAKPDIDLZHSTHT-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCCC12CCCC2	1973163328	CINPQHGQDOBKCQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CN[C@H](C)c1ccc(C)cc1C)C(C)C	1973384230	IXZXKUZTVBTMCL-HZPDHXFCSA-N	247.426	4.636	0	10	BJAE	
CCC/C=C/CNc1cccc(Cl)c1Cl	1974575678	JVMQAZDFDOAESI-SNAWJCMRSA-N	244.165	4.762	0	10	BJAE	
CCCCCC1CCC([C@H](N)CCC)CC1	1980313566	ADPBPGNKPQCFDS-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CCCC1CCC(C(=O)CC=C(C)C)CC1	1980982233	YZWRXAFIEYAQIR-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H](CCC)CC(C)C	1984594115	YTWBSASAPSBECK-DYLGSBMWSA-N	224.388	4.764	0	10	BJAE	
FC(F)c1cc(CC2CC(=C3CC3)C2)cs1	1985530936	OIMWNRWKIHHENR-UHFFFAOYSA-N	240.318	4.729	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC(C)(C)C(C)C	1988780000	FUGVYWFBKPMJLU-HNNXBMFYSA-N	225.420	4.523	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccc(Cl)cc1	1988794013	FBORVZUWIVIMCV-GFCCVEGCSA-N	237.774	4.887	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCC2(CCC2)C1)C(C)(C)C	1997044135	WRZBMPVBXMQOHA-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CSc1ccccc1NC[C@]1(C)CC=CCC1	2001696219	CHWGCIOMVNDADL-OAHLLOKOSA-N	247.407	4.567	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@H]1CCCC(C)(C)C1	2002994049	QHXCTDJQROIPKN-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1NC1CCCCCCCC1	2003095223	MEKRFUZAASBKDR-ZBFHGGJFSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)NCC1(C)CCCCCCC1	2004937052	JMVQHFDRAKMWFA-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC1CC(C(C)C)C1	2007761125	PVNXNMJMFMHDQC-GRAKBVBRSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1O	2009588409	JTQHHRGMSNHSTN-VREHXWONSA-N	238.415	4.556	0	10	BJAE	
C/C=C/CCCN[C@@H]1CCC[C@H](C(C)C)CC1	2009597841	HXYKRULSRROUFX-CGFBPQRUSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H](C)CC(C)(C)C	2009633730	BMPXJBUKWQYCKE-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CCCCCC1CC(NCCCC2(C)CC2)C1	2009715428	FHGBZIIOJPPPEX-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC1(N)CCCCCCCC1	2011575192	GFXARGOPKFBRPC-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@@H]1C[C@H](NCC)CC2(CCC2)C1	2012067026	ZMFAKPPECXKUDP-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@@](CC)(CNC(C)(C)C)C(C)C	2012439836	KPQKDSZCVMFQEI-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC[C@@H](C(C)C)N1	2013524601	OIVPDEYTNGEAAR-CVEARBPZSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](C)c1cscc1C1=CCCCC1	2013606230	BJRQTBQEKFFDHU-GFCCVEGCSA-N	249.423	4.766	0	10	BJAE	
CC(C)CC1([C@@H](N)CCCCCC2CC2)CC1	2015749693	PERLVVQTSAZLHL-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)CC1(C(C)(F)F)CCC1	2016717644	DTZXYHFDWYUKJA-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CCC1CCC(C[C@](C)(N)C2(C)CCC2)CC1	2017720402	GXMVRTJTTZWLKX-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(N)(C(C)C)C(C)C)CC1	2017729431	WSDNZRARWBFIHJ-SHTZXODSSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CC1(C)CCCCC1	2017786715	ABWXOFGIUMQIGN-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCCCC[C@@](O)(CC)[C@H]1CCCC(C)(C)C1	2018135233	WRZQKYVIVKPHLQ-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@@H](CC1(CCC)CC1)NCC	2018999550	ZUDMKYKWPHIZQB-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCC1(CC)CC(N(C)[C@@H](C)CCC(C)C)C1	2019406923	MOOBGDUNBAWSOS-AWEZNQCLSA-N	239.447	4.712	0	10	BJAE	
CCCCN(C[C@H](C)C(C)(C)C)C1CCCC1	2020536236	UDNBNBUEDDAXAT-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCC1CCC(CC[C@]2(C)CCCN2)CC1	2020814629	KAVJUTOIBTUAMR-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@H](C(C)C)C(F)F)c1	2021005613	MMQYHNCWHLGTBN-CYBMUJFWSA-N	241.325	4.512	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CCCCC(C)(F)F	2023310371	VNPXGLHPWPQZOR-ZDUSSCGKSA-N	248.357	4.699	0	10	BJAE	
CC[C@H](O)[C@H](C)CC1CC(C)(C)CC(C)(C)C1	2024123301	LIPHGTVHASYROT-OCCSQVGLSA-N	240.431	4.636	0	10	BJAE	
CCC1CC(C[C@@H](CCC(C)=C(C)C)NC)C1	2025432321	KIXUUKVWGNLEEB-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CC(C)NCC(=CC1(C)CCC1)C1CCCCC1	2026883318	FUECZHZINLQJTJ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@](C)(O)c1cccc(C2(C)CC2)c1	2028561295	YUWWGBBDRVRCON-KRWDZBQOSA-N	246.394	4.526	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C1CCCCC1	2028899085	XCIBTBACQDWHEJ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@@H]1CC(C)(C)CC2(CC2)C1)C1CCCC1	2030285578	AVKOHFJXIGGFGB-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@]12CCCC[C@@H]1CCC2	2031759707	OPLNAGQDHBVJMG-IXDOHACOSA-N	249.442	4.811	0	10	BJAE	
CC1(CCNC2C[C@H]3CCCC[C@@H]3C2)CCCC1	2034145800	MICJOBBVHSEEAR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCC1)C(C)(C)C1CCCCC1	2035602220	RGWXEDYBIXQRJT-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CCc1ccccc1C(C)C)NC	2036492380	RSUKJTKDPBVECW-INIZCTEOSA-N	247.426	4.521	0	10	BJAE	
N[C@]1(C2=CCCCCCC2)CC[C@H]2CCCC[C@@H]21	2037078245	LYCQHELQODVRAZ-PVAVHDDUSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc(C[C@H](C)C(C)(C)C)[nH]c21	2038006765	IALHXULFXOSTRT-TUAOUCFPSA-N	248.414	4.635	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@]1(N)CCCC2(CCCCC2)C1	2040765155	MOKDUWKUIRKQSW-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@H]1CCCN[C@@H]1CCCC2(CCC2)C1	2041296627	OFHPSVDTQFJDTH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC1CCC(C)(C)CC1	2043193527	YNRFJMQTTHYFPM-AWEZNQCLSA-N	249.442	4.824	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@H]1CCC=CCCC1	2045310317	NIPFEDKGMUMXNK-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](CC[C@@H]1CCc2ccccc2N1)C1CCC1	2045879134	GLNOPFALQCURGB-XJKSGUPXSA-N	243.394	4.630	0	10	BJAE	
CCCC[C@](C)(CN)Cc1ccccc1C(C)C	2045965417	MWDIRYXLYUPXCJ-KRWDZBQOSA-N	247.426	4.508	0	10	BJAE	
C[C@H](C[C@]1(CN)CCC12CCC2)C1CCCCC1	2047938386	GACOFHFWMNUHPU-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
C[C@H](N[C@H](C)[C@H]1CCC[C@@H](C)C1)c1ccccc1	2049530390	WKRJWIRSXKEJNR-DLTWYDFYSA-N	245.410	4.552	0	10	BJAE	
CCC1(CNC[C@@H]2CCCC3(CC3)C2)CCCC1	2049846613	VBDOGVPVXHNXAS-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
Cc1cccc([C@@H](O)CCC2CCC=CCC2)c1	2050424799	DFFJNYFPKMBTEZ-KRWDZBQOSA-N	244.378	4.555	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CCCC[C@@H]2C2CCCC2)C1	2051678081	NOZWZWGLQUTXOT-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
CCN[C@H](C1CCCC1)[C@@H]1CCCCC12CCC2	2053419970	IBAYMZBUYVXAGH-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@H](NCC2CCC(C)(C)CC2)CCC1	2055551898	KCKVFIHOPBLEAU-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](CC1C[C@H]2C[C@@H]2C1)NCCC	2059251245	YIZOIUYRTGEFAN-IVDNXHHHSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1c(C)oc(C)c1C	2059257233	VXJXJRMFZWPVRA-VFADXPBXSA-N	249.398	4.602	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H]1CCCCC12CCC2	2059261827	HPPBHNNXLNQPOV-WNEUIUNWSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](CC)CC1)C1CC(CC)C1	2061138321	VITIYKVKGRAOEQ-LYSZQXJVSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@@H](NCC)c1ccc(C(C)C)cc1	2061566644	OQBAOBDNOIABOF-QGZVFWFLSA-N	243.394	4.582	0	10	BJAE	
CNCC1(CC[C@]23CCC[C@@H]2C3)CCCCCC1	2061610516	AMOHNIWAFXRRLT-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
C[C@@H](C[C@@H](N)C1CC(=C2CCC2)C1)CC(C)(C)C	2061737245	PEQKVRGNGQXKMA-BLLLJJGKSA-N	249.442	4.667	0	10	BJAE	
C[C@@](N)(CC1C[C@@H]2CCC[C@H]2C1)C1CCCCC1	2063536258	QDNHIHCVWJHCNN-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@](N)(CC23CCC(CC2)CC3)CC1	2065339692	OHQFSFWRQBLREH-ZGRYLRDCSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2C[C@H]3CC[C@@H]3C2)CC1	2068771409	OITIGYKUVFUQQK-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)C[C@@H]1CC12CCC2	2069180471	YHZYSQFMPKJCSL-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H](C)C2CC=CC2)CC1	2070814634	NMPYIBNOCVQAMD-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](CC2=CCCC2)NC)CC1	2072701906	FHOZRBOOQKSFJG-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(N)CC(C3CC3)C2)CC1	2072801257	MIMLUPIMDKVORS-RBAWDMFTSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2C[C@H]3CCC[C@@H]3C2)CC1	2072878219	JYQVBFJTRAAQLQ-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H]2[C@H](CN)CCCC23CCC3)CC1	2074629508	POQSJTLRQMGQQL-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)c1ccc(C)cc1C	2074634477	RFITWSSXDYPOKY-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
C[C@H](c1ccccc1)N1CCCC12CCCCC2	2074788897	BIIMCYVGTRSGOS-OAHLLOKOSA-N	243.394	4.546	0	10	BJAE	
CC=C(CC)C[C@H](NCCC)c1ccc(C)cc1	2077194452	BQCNXLJUDMKUNR-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCC1	2079330064	WFKNVDLJPHUATN-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2C[C@@H]2C2CCC2)CC1	2079447291	OMZWIZTZHIQPGQ-NUWOQIAWSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1C[C@H]1C1CCCCCC1	2079530849	RSZYLBOESWKJTO-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@@]1(CC=C2CCC2)CCCC[C@H]1C	2081676617	WRYPEUCVYCPICX-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1CCC=CCC1	2081795011	GTSQYXARCXLTMU-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
Cc1cc([C@@H](N)C[C@@H]2CCCC(C)(C)C2)oc1C	2082978677	ISNNNGZQAUOHCB-KBPBESRZSA-N	249.398	4.503	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)C[C@H]3CCC[C@H]2C3)C1	2086157674	NUTQEXALKUPELY-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C(=O)c1scc(C)c1C)C(C)C	2210568852	CERSSXBMYJTDEN-LBPRGKRZSA-N	238.396	4.620	0	10	BJAE	
Cc1cc(-c2cc(C)c(Cl)c(C)c2)ccc1O	2212873660	JRFSOSTZZUPOEN-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CCC[C@@H](N)CCC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213300910	YIGPFKWWYQVMAD-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CC(O)(CCCCC2CC2)C1	2214573145	JUGCHUCYQKHEEV-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
O=C(CCCCCCCC1CC1)c1ccoc1	2216877586	NZTRIZPZBDVGKL-UHFFFAOYSA-N	234.339	4.603	0	10	BJAE	
C[C@H]1CC[C@@H](CCCCCCCC2CC2)NC1	2216879633	LOEGECZLRZXQTI-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C1CC1)[C@H](O)CCCCCCCC1CC1	2216882690	BMLSKLVZYBWCLN-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CCCC(C)C)C1CC1	2217135994	KCZACAGDJAODQT-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NCC1(C2CCCC2)CCCCC1	2217138422	MMVXOKLXKSCFNQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@](N)(CCC1CC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218357903	SXEDXQOANLUQSS-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
Cc1coc(C)c1[C@@H](N)CCCCCCC1CC1	2218718584	PEJSYMYBWULHIE-HNNXBMFYSA-N	249.398	4.647	0	10	BJAE	
CN(CCCCCCC1CC1)C[C@H]1C=CCCC1	2218730632	GLWISICDXCQEBZ-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1CC[C@H]2C[C@H]2C1	2218731431	NGEPLGVWBICHLM-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C/C=C/c1ccccc1	2219050273	SYAQCQWRKRMWLE-DCBYGEANSA-N	246.394	4.667	0	10	BJAE	
CCO[C@H]1C[C@H](C/C=C/c2ccccc2)C1(C)C	2219077718	FYIPGYJXVQFBGP-RYRVOACTSA-N	244.378	4.541	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC1(CNC2CC2)CCCCC1	2220881902	VREMOQLTUHYSDV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(CN[C@H]2CCCCC2(C)C)CC2(CCC2)C1	2220934960	GSKLSORICXDFGC-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)[C@@H]2C=CCCCC2)CC1	2221603049	TXJTUAWDVITMAY-IAGOWNOFSA-N	247.426	4.554	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@]1(C)CC=C(C)CC1	2221633214	UACUNSNYWYWXHM-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
NC1(CCCCCCCC2CC2)CC2(CCC2)C1	2223155994	XDWONFNLXLZHKA-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCCCC[C@H](O)CCCCC[C@@H]1C[C@@H]1C	2243912340	BOEDVXCSVZJMHY-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](C)C(C)(C)N	2244866895	ITANATWMWQHISV-KGLIPLIRSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC[C@H]1CCC[C@H](C)C1	2246723888	BYTOXCKLVSQGOW-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(NCCCC[C@@H]2C[C@H]2C)c(C)c1	2247114846	JIKVJJMGSJQLSE-UKRRQHHQSA-N	231.383	4.542	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCCC[C@@H]1C[C@@H]1C	2247167103	WNNHIKAZPSYWOJ-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCC23CCC3)cc1Cl	2247394122	LVKPVIVCBFOXPS-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H]1CCCCC[C@H]1O	2248819049	HKDHXKUCSBVBHN-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC1CC(C(=O)CCCCC[C@H]2C[C@H]2C)C1	2248855393	RZVJNDFCJFMHGL-JLVJUDLZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@H]1C=CCCC1	2248866755	RKWRECRUCAFZQM-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(C2CC2)cc1	2250383090	WBAJEXWEAGGGOT-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(N)C1(C)CC1	2250477027	SMIMOBFRWHIUCM-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](CO)CC(C)C	2250488841	RPHMPOFAUAMJQW-HOTGVXAUSA-N	242.447	4.884	0	10	BJAE	
CCCC[C@H](C[C@]12CCCC[C@H]1CC2)NCC	2251218962	URVGPUFMGMFNGG-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC[C@H]1[C@H](N)C(C)(C)CCC1(C)C	2251702680	SRRWOOGXQWWAKO-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
C/C=C/CCC[C@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251708941	UTADUPGCCKQAAR-HYLRALAJSA-N	238.415	4.556	0	10	BJAE	
CC1(C)NCCC[C@@H]1CC[C@@H]1CCCCC12CC2	2253891140	UYWNIJPCNUAEEC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NCC1(CC2CC3(CCCC3)C2)CC1	2254062000	RMOLNGCMAONPIQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C12CCC(CC1)CC2	2254582167	RHIOAMBSSPJNMI-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C1(C)CC2(CCC2)C1	2254583273	JIHWZCCKTQZIHO-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
N[C@H](C[C@H]1CCC12CCC2)C1CCCCCCC1	2254850529	VMYKNAZHAZBSBW-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1C[C@@H]1CCC1(C)C	2255028336	OHABVZQELHNNJP-IPYPFGDCSA-N	243.394	4.658	0	10	BJAE	
CC1(C)C[C@@](C)(CCC[C@H]2CCCC23CC3)CN1	2255256704	QXQIUIGCQFWVDO-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@H](N)CC[C@H]2CCCC23CC3)CC1	2255264890	XBDUYHBUEZKZIW-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1OCC[C@@H]1CCCC12CC2	2255312088	XNIKMLOCBFPWCO-HNNXBMFYSA-N	244.378	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)C12CCC(CC1)C2	2257240958	MNJWLCQOHGIYKZ-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cccc(CC(C)C)c1	2259443764	MYCRASIMYUXGHX-WBVHZDCISA-N	248.410	4.745	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)c1cccc(C)c1C	2259456749	ZLHGDWBEPPTEJQ-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)Cc1ccc(C(C)C)cc1	2259476688	BUMIOPDAGGXULU-WBVHZDCISA-N	247.426	4.506	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)C[C@]23CCCC[C@@H]2CC3)CC1	2260598839	CNEFLIIRSRKGCN-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
NCC[C@@H]1CCC[C@H](C[C@]23CCCC[C@@H]2CC3)C1	2260658316	OIUJSNJXYCABGF-MWDXBVQZSA-N	249.442	4.502	0	10	BJAE	
CCC(CC)CC[C@H]1C[C@H](NC)CC(C)(C)C1	2300688229	LHZRCZXHLOCPIU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@]1(CC=C(C)CC)CCC[C@H](C)C1	2300861505	SHFLNHOUKVYZRI-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(=CC[C@@](C)(O)CC1CC1)CCCC(C)C	2300913194	CAUSUSZIMCQXFX-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CCCCC1CC(O)(CC2CCCCCC2)C1	2301135886	QAURXMKIDUISCO-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)[C@H](C)[C@@H](C)C(C)C	2301826990	XODDTZURCKWTPE-LZWOXQAQSA-N	241.463	4.560	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@H]1CCC[C@H]1N	2302505936	CRMRGFUWHZDMQR-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC(C)=C(C)C1	2303460156	YOVNQPDLRODSBJ-HOTGVXAUSA-N	237.431	4.824	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC1(O)CCCCCC1	2303505016	BSWAGZJYLAURDA-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCCCCC2=O)CC1	2303575552	LSTPNIIFXFENSP-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)CC[C@@]12CCC[C@@H]1C2	2310382938	TUMVCJQWDLHXCQ-XOSAIJSUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)C1	2312958522	RYLVUFWWOUXZFY-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313182768	KIHHMBMDDWIAJP-HJTLVLNNSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@@]12CCCC[C@H]1CCC2	2313653693	BWDALFMXAZOHDV-UKPHBRMFSA-N	248.410	4.742	0	10	BJAE	
CCC(C)=CCc1cc(C(C)(C)CC)ccc1O	2316560452	QOMKEXCPAUFZNZ-UHFFFAOYSA-N	246.394	4.979	0	10	BJAE	
CC(=CC[C@@H](N)[C@@H]1CC[C@@H]2C[C@@H]21)CCCC(C)C	2316571620	VDVUQCQJOWZPKP-WCXIOVBPSA-N	249.442	4.523	0	10	BJAE	
CCC[C@](N)(c1ccccc1)[C@@H](C)[C@@H](C)C(C)C	2317911511	KNBFPIRNIXPZKS-YQQAZPJKSA-N	247.426	4.569	0	10	BJAE	
C[C@@H]1[C@@H](Nc2ccccc2C2CCC2)CC1(C)C	2318252518	QEIXOZHHQKKCGE-WBMJQRKESA-N	243.394	4.801	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CCCC[C@@H]2C[C@@H]21	2319253534	WBQFAOGMXIFULK-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CCCC[C@H]2C[C@@H]21	2319253535	WBQFAOGMXIFULK-ULQDDVLXSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1N[C@H]1CCCCC12CCC2	2320144089	LQZIQXQMGKGEJW-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1C	2320393835	JVSHGAKTBKSHFX-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@](CN)(C2CC(C(C)(C)C)C2)CC1	2320396234	HTGDWNOTECZOKL-DQPZFDDXSA-N	249.442	4.524	0	10	BJAE	
CC1=C(C)[C@H](N)[C@@H](CC[C@@H]2CCC(C)(C)C2)CC1	2321650138	IXAGPMXQEINOKS-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CCNCC1([C@H]2CCC[C@H](C)C2)CCC=CCC1	2326702737	UJCCJNCHWHZCBR-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)CCC2(C)CC2)c1	2327789979	NTOSWISUKLFZNZ-INIZCTEOSA-N	245.410	4.699	0	10	BJAE	
CC(C)c1cc(C=O)cc(CCCCC2CC2)c1	2327796640	KLPLRCGDILQIMS-UHFFFAOYSA-N	244.378	4.745	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cc(C)ccc1OC	19232544	ZSOYMVQGHGCCKT-OCCSQVGLSA-N	249.398	4.630	0	10	BJAE	
CCCC(CCC)Nc1cccc(Cl)c1	21806874	WXHATKBAOFWXIK-UHFFFAOYSA-N	225.763	4.721	0	10	BJAE	
CC[C@@H](C)c1ccc(NCc2ccsc2)cc1	36953414	AKBDCQOOCGMKHT-GFCCVEGCSA-N	245.391	4.874	0	10	BJAE	
CCCC(CCC)Nc1ccccc1SC	36957364	JQSJLNINZRTFSZ-UHFFFAOYSA-N	237.412	4.789	0	10	BJAE	
CCC(=O)c1ccc(-c2ccc(C)cc2Cl)o1	54106811	MPINWIOOPKNOFN-UHFFFAOYSA-N	248.709	4.501	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(F)cc1Cl	68986090	GPBDZWQBJYZRRQ-NSHDSACASA-N	243.753	4.860	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@@H](CC)C1	80457209	BJGGHXMOQWYBSD-UKRRQHHQSA-N	231.383	4.548	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCC[C@@H](CC)C1)C(C)C	83825726	AJOOZVWKEBJVAU-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C[C@@H](C)CNC(C)(C)C	84129304	BNTBIQGPLFBDPP-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1O[C@@H]1CCC[C@@H](C)C1	85151591	KILSWEHVVBXSHC-ZIAGYGMSSA-N	232.367	4.768	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)[C@H](C)CC	87172849	JLROASPUBLJZBJ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](c1ccccc1)C(C)C	88296707	JAQHKCBRRKHTJG-YQQAZPJKSA-N	247.426	4.798	0	10	BJAE	
C[C@@H]1C[C@@H](CC2CCCCC2)c2ccccc2N1	92344731	JTWWGPXLICGBTJ-HIFRSBDPSA-N	243.394	4.945	0	10	BJAE	
CCCC[C@@H](CC)C/C(C)=C/CCNC(C)C	93675297	CVZVLPFZFNEQSA-AAGJOFLKSA-N	239.447	4.927	0	10	BJAE	
CC[C@H](C)[C@H](C)NCC1(CC(C)C)CCCC1	94873892	ORUZDHDCAGSYFM-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC)CCc1ccc(C(C)C)cc1	103934762	LYNCGLUDXXLHLG-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CCCCc1ccc([C@@H](CCC)CCCN)cc1	107478667	NZZZRBMDHGMLGA-INIZCTEOSA-N	247.426	4.652	0	10	BJAE	
CC/C=C\C[C@H](C)c1ccc(OC)c(Cl)c1	107535867	QGPNIDZZAOZSIS-GZTOBOFZSA-N	238.758	4.808	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)c1ccccc1C	109705169	UKENZARBTLTDJX-NVXWUHKLSA-N	247.426	4.775	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)c1cccc(C)c1	109725841	RLQQCQVKRIMSAC-WMLDXEAASA-N	247.426	4.862	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCCC1CCCCC1	109898237	ZLSBLXONZDBRTC-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C(=O)c1c(CC)oc2ccccc12	110175532	BXPDNFFNEJMTSK-NSHDSACASA-N	244.334	4.614	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C1CCCCCC1	110228985	BJLZMSWAGADCAN-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCCC[C@H](N)C1(CC(C)C)CCCC1	125359007	BLYJBXIEZBENNZ-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)C/C(C)=C/CCNC(C)(C)C	128927706	QNIWOUHIDUEUOP-JLHYYAGUSA-N	225.420	4.537	0	10	BJAE	
CCCCc1ccc2oc(C(=O)CCC)cc2c1	130385376	DECBNBZGLLHREZ-UHFFFAOYSA-N	244.334	4.758	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1cccc(CCC)c1	131500747	FQGBETPGLYAACT-RDJZCZTQSA-N	247.426	4.855	0	10	BJAE	
Cc1ccc(C)c2c(Cl)cc(CC(C)C)nc12	131704836	PHUFBRDSVAIAEC-UHFFFAOYSA-N	247.769	4.704	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@H](C2CCCCCC2)C1	148904941	GQJPEGJZYZZBTM-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)c1ccsc1	161428723	UQFFBRVNRKARTF-OAHLLOKOSA-N	249.423	4.679	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1cc(C)cc(F)c1	162540906	GVQXYFGDKYKRLA-WFASDCNBSA-N	248.341	4.533	0	10	BJAE	
c1ccc(CCCCSc2ccccc2)cc1	196454062	FVGKIGMVBJZAKJ-UHFFFAOYSA-N	242.387	4.802	0	10	BJAE	
CCC(CC)C[C@@H](CC1CCCCCC1)NC	229156409	RKSJBKVVODWFOG-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCCCc1cncc(CCCCC)c1	230455530	DULIWCPFOASRCB-UHFFFAOYSA-N	219.372	4.547	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](O)CC2CCC2)cc1	232167417	DBSSTVCORDULJT-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(C)cc1Cl	232962344	VNVRTRWKTTYASN-CQSZACIVSA-N	239.790	4.619	0	10	BJAE	
CCCN[C@H](CC1CCC1)C1=CCCCCCC1	233162887	DHNURXYSRSCKFE-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)c1cccc(C)c1	234434433	CQYITTXPEQSUIH-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
Fc1ccc2[nH]cc(CCC3CCCCC3)c2c1	236269162	SQAMLMQYWQSOMT-UHFFFAOYSA-N	245.341	4.820	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(O)CCC[C@@H](C)CC1	251728579	KHFHXTABKNRZCC-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H]1CCCC(C)(C)CC1	251945480	SZCJTLZLECRMLA-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CCCC(C)(C)C)NC(C)C	300903305	RDDMNPZVLGTZPJ-AWEZNQCLSA-N	227.436	4.760	0	10	BJAE	
Cc1c(N)cccc1SCCC1CCCCC1	302253740	LWHJHSPEVCTYDA-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(O)CCC1CCCC1	302275275	SFYKOHHYHISCQO-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](O)c1cc(C)ccc1Cl	313405525	BHSZRRKLULHKGO-AWEZNQCLSA-N	240.774	4.652	0	10	BJAE	
CCC(C)(C)[C@H](C[C@H](C)C1CCCCC1)NC	383747014	DFNUCVJFRJZTIC-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](C)Nc1nccc2ccsc12	384058504	PFNWVBLEDJSQJM-QWRGUYRKSA-N	248.395	4.533	0	10	BJAE	
CCC1CCC(CN[C@@H](C)CC(C)(C)C)CC1	385135561	LJQJGEBRLAOLEZ-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cccc2ccsc12	386268771	YOOOJPUHJNFWKK-YPMHNXCESA-N	245.391	4.892	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1cccc2ccsc12	386287711	GZOXWZGBWUJHCG-RISCZKNCSA-N	247.407	4.727	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)c1ccccc1C(C)C	386684731	YVBICTONXNZSLU-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCC[C@H]2CC)CC1	388585718	HZHPYFHBPPPJEB-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)CNCC(C)(C)CC(C)C	391171840	LLPYJWZHNJZFGU-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CC1(CNc2ccc(Cl)cc2)CCCCC1	394666729	VDBMBUYMICQZHT-UHFFFAOYSA-N	237.774	4.722	0	10	BJAE	
CCc1sc2c(C(F)F)cccc2c1F	396209731	IRTCPYTUAMZZSI-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)[C@H]2CC2(C)C)c1	397579902	HGFGBVZXIFBWPK-SWLSCSKDSA-N	231.383	4.657	0	10	BJAE	
CCN[C@@H](c1ccc(CC)cc1)[C@H](C)C(C)(C)C	399178657	NTJDAWHFKQDNJZ-XJKSGUPXSA-N	247.426	4.582	0	10	BJAE	
CCCC1([C@H](O)C2=CCCCCCC2)CCC1	686918128	JFENXZZFOAKSBO-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCCC(F)F)NCC	689059679	VRLCHKDCSCSBJT-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC1CCC(Nc2cccc(C3CC3)c2)CC1	690158267	HLIXURJHHUSQRI-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
CCC[C@H](NCC)[C@H]1CCCCC[C@H]1C(C)C	691102570	KVDYBGIDRGIHBC-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1cccc(F)c1	691168574	RRZYHFJCCYGFQW-WFASDCNBSA-N	235.346	4.597	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@@H]2CCCC3(CC3)C2)CC(C)(C)C1	695718899	XEQXVJFIPPMYDU-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)CC(C)(F)F	704733573	NWYNGRHNKKOZDG-AWEZNQCLSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@H](C)CC(C)C	709177976	PKSYTSOHQPANMR-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@@H](C)CCC(C)(C)C)cs1	710698196	PCHWSHGMBXAGOM-JTQLQIEISA-N	225.401	4.683	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)C[C@H](C)c1ccccc1	713182953	OCABFSPIROMWTB-HOCLYGCPSA-N	248.410	4.613	0	10	BJAE	
CC(C)NC/C(=C/[C@]1(C)C[C@@H]1C)C1CCCCC1	714593336	DLNAVHIDVFQTBC-ZQAKKUMISA-N	249.442	4.537	0	10	BJAE	
CC1(CNCCCCC2CC2)CCCCCC1	716350473	JJSUHYXYALVJPX-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CCC(C)=C(C)C	718603917	XEQYEHSWQZVSJK-CABCVRRESA-N	226.404	4.700	0	10	BJAE	
CCCC[C@@](CC)(CCCC(C)(F)F)CNC	718689738	YAHFZVQJFOLTTG-AWEZNQCLSA-N	249.389	4.618	0	10	BJAE	
CC(C)CCCCN[C@H]1CCCCCC1(C)C	719225234	WDTCTIUVYSOBLS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)c1cc2cc(C)ccc2nc1Cl	722209967	WCFNVROWMHDURM-SNVBAGLBSA-N	233.742	4.710	0	10	BJAE	
Cc1coc2ccc(-c3cccc(F)c3)cc12	725433273	DIPDWGOHRUREHC-UHFFFAOYSA-N	226.250	4.547	0	10	BJAE	
CC(C)CC[C@H](C)N1[C@H]2CC[C@H]1c1ccccc12	1256374211	XSFGBLNKHJLENT-JQFCIGGWSA-N	243.394	4.703	0	10	BJAE	
C=C/C=C/CCN(C)c1ccc(CCCC)cc1	1473260467	XJCFBUCZSMYKQY-SOFGYWHQSA-N	243.394	4.598	0	10	BJAE	
C1=C[C@H](CCCNCCC2CCCCCC2)CC1	1621507222	DMZSVRGMUGJRBL-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC1(CNC2CCC3(CCC3)CC2)CCCCC1	1657465755	LTIOIADXDCCDBM-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(CCC)CNCC	1905432261	BFHYJGKYXRSRQA-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccnc(C2CC2)c1	1913023743	XNPDRFGLIDTDSN-CYBMUJFWSA-N	246.398	4.587	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1CC1CCCC1	1913388446	FVDPOXOMSAEPIO-OAHLLOKOSA-N	236.399	4.886	0	10	BJAE	
CC(C)CNC[C@]1(C2CCCCC2)C=CCCC1	1916611853	XUARLQSOYCSKBX-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](C)C[C@](O)(CC(C)C)c1ccccc1	1920030202	ROAOZNNOUBSFSU-NVXWUHKLSA-N	248.410	4.747	0	10	BJAE	
C[C@@H](c1nc2cccc(Cl)c2[nH]1)C1CCCC1	1924110742	YBUVFSIHYWITOL-SECBINFHSA-N	248.757	4.510	0	10	BJAE	
CCCN[C@@H](CCC[C@H]1C=CCCCC1)C1CC1	1925946264	RJKBILZCUNEURK-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC(CC)CC)CC1(C)CCCC1	1926383410	KYOORZSSHCQMNB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1csc(Cl)c1	1933600676	SJEDFQGGZZVDLY-JOYOIKCWSA-N	246.803	4.651	0	10	BJAE	
CCCC[C@H](CC)NCC(C)(C)C1CCCC1	1940761940	FLJXTPVWGQUPFI-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCCCC(C)C)C(C)(C)C1CC1	1941140304	RWSODAUYPHQZTO-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@@H](CC)C(C)C	1941273452	SCFPXIRVSFVYFZ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCC1([C@H](CCCCCC2CC2)NC)CC1	1941587892	WWTUOMFYTKMYFF-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](C)(O)OC[C@@H](CC)CCCC	1942890196	UOOYGMORHSPTNY-LSDHHAIUSA-N	244.419	4.508	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1(CC(F)F)CCC1	1946577312	XDHMKMUTIAJRLQ-UHFFFAOYSA-N	244.325	4.518	0	10	BJAE	
CCC(F)(F)CCC(=O)[C@@H](CC(C)C)C(C)C	1947992184	ARJXBJOZQSJDPX-LBPRGKRZSA-N	248.357	4.699	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@H](C)CCC(C)(C)C	1948327195	NFANGYMECWWLFW-ZNMIVQPWSA-N	241.463	4.862	0	10	BJAE	
CCC(CC)C[C@H](N)[C@H]1CCC2(CCCC2)C1	1949536357	ZQMYFRIEDAOPBH-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CCC(=O)CC1CCCCC1)C(C)(C)C	1949906297	BTUXLOZAPBSZDM-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Oc1cc(Cl)ccc1Cl	1962569441	JZXGEDFYLFZCFA-KCJUWKMLSA-N	245.149	4.561	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2C[C@@H]3CCCC[C@@H]3C2)C1	1967696404	MDMMBJIOQQVADM-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NC1C[C@@H]2CCCC[C@H]2C1)C1CCCCC1	1967710695	AXOKSRQAAAXMFO-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@H]1CC[C@@H](F)C1	1968320815	RKIBOFUMAWGBAZ-QWHCGFSZSA-N	249.373	4.534	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCCCC23CCC3)c1	1968596707	UWUDXKYRBKTJGC-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CCC(CC)C[C@@](N)(CC)C1CCCCC1	1975998582	PEMFGBSMJQEBTK-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H](C)C1(C)CCC1	1981373035	YPVSYHYPOWBMIK-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1cscc1F	1982842744	YJVCPHUUHXCKDX-GWCFXTLKSA-N	244.375	4.527	0	10	BJAE	
CCCC[C@@H](N)CCCC(C(C)C)C(C)C	1988265271	VRJKWJUEHXOGQH-CQSZACIVSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H](CNc1c(F)cccc1Cl)C(C)C	1988764256	JVGDHIIMVAEFRA-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CC[C@H](CNc1cccc(C)c1Cl)C(C)C	1988769054	XXXISXHLPDKTDY-GFCCVEGCSA-N	239.790	4.743	0	10	BJAE	
C[C@H]1CC[C@H](CNc2ccccc2Cl)CC1	1989812425	PSOXMRKTBIBHCL-HAQNSBGRSA-N	237.774	4.578	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H](C)C(C)(C)C	1990092975	GGZWVWFQLSWBBS-HIFRSBDPSA-N	228.420	4.780	0	10	BJAE	
CC(C)(C)CCCC(=O)CCCC(C)(F)F	1993580750	PIADEZIGONQRSO-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CC(C)C[C@H](C)n1ccnc1C1CCCCC1	1995884109	FDTFKQLNXUTAOC-ZDUSSCGKSA-N	234.387	4.538	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)C1(C)CCCCC1	1995974590	GAEJOYFABWMBQD-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
C[C@@H](N[C@H]1CCCC1(C)C)C1(C)CCCCC1	1995991949	TXNAUMACSHFXLM-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H]2CCC=CCCC2)C(=O)C1	1999982580	BVUNXCQIZBGFNW-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CC(C)C1(C(=O)[C@H]2CCCC(C)(C)C2)CCC1	2000193017	DWGLJRRQZWCTMF-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@](C)(O)CC2CCC2)CC1	2002923916	DDLGXYTXNXGTJA-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C[C@H]1CCCCCCCC1=O)C(F)F	2003074759	NXKMABOMGLBJGN-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)=C(C)[C@@H]1N	2006896824	GOAAVBGHUIYZLS-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)C1(C)CCC(C)CC1	2007694104	GSFUMWZQPHKMRA-FYRZTWFESA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H]1CCC(C)(C)CC[C@H]1NCC	2009411440	PVYJPDAEDDZAIX-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CCC1(C)CC1)CNC1CC1	2009543946	LDXZHHDAUJREFZ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@](C)(O)C1CCC(C)(C)CC1	2009590537	PPRVWZTZNBEFQM-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CC=C(C[C@H](NC)c2cccs2)CC1	2010762920	KAJYCXKSEJWNFD-JSGCOSHPSA-N	249.423	4.535	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(O)CCCCCC12CC2	2011286865	FOKOYZXVXGQYMH-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@](CC)(C(C)C)C1CCCCCC1	2012414723	YRXPBULJHRMRGR-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C(O)(C1CCCC1)C1CCCC1	2013229189	NHQWQPGQMGRJJA-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC1(CC)CCC1)C(C)(C)C	2015593471	DKNDBMJYAVTOGQ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1CCCC1(C)C	2016146681	ZAHRSODAIPXEKK-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CCC(N)(C[C@@]2(C)C[C@H]2C)CC1	2016465732	GBEVLGYFBMXYFI-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1cccc2sccc12	2016832623	YUGIDFWIPXMLDI-GHMZBOCLSA-N	244.359	4.520	0	10	BJAE	
CCCCCC1CC(N(C)CC(F)=C(C)C)C1	2017469092	PTXJPSGBILKSKT-UHFFFAOYSA-N	241.394	4.541	0	10	BJAE	
CCC1(CC)CC(O)(C[C@H]2CC[C@H](C)CC2)C1	2017651795	YILDHVIOASGOIC-HDJSIYSDSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)c1cccc2ccsc12	2017702115	KYYCGSRVIBCFLC-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCC[C@@](C)(CN)C[C@H]1CC[C@H](CCC)CC1	2017729652	YYCBCDWQBXSSJJ-BZUAXINKSA-N	239.447	4.748	0	10	BJAE	
C[C@@H](CCNC(C)(C)C)C[C@H]1CC[C@H](C)CC1	2017735673	VQUCVOZCCLZRIT-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@@H]1C=CCCCC1	2019534075	XFHFURXKWJDMCI-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)C1CCC1)C1CCCC1	2019767482	LRGADWDZXIOOHH-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@](C)(O)C1(C)CCCCC1)C1CCC1	2019778195	JXGAFHYNSUHMRC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC(=O)c1c(C)cccc1F	2019961498	YZRSKPGLNFCEQO-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CC(C)C(C[C@H]1CCCC(C)(C)C1=O)C(C)C	2020394404	YECWKMQBJZFBEF-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCC[C@H]2CCCC[C@@H]21	2022994270	PXKGOEFUIGMTRA-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CC(F)(F)CCCCC(=O)C1CCCCCC1	2023333647	YOWZQGJCAMQZNI-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
Cc1cc(-c2cccc(C)c2Cl)c(C)cc1N	2024338526	MOLLEBXTJZDPFT-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2CCC[C@@H]3C[C@H]32)n1	2026523947	DUBCGRHSUJZLIY-OIMNJJJWSA-N	249.423	4.635	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CC1(C)CCCCC1	2027311375	JYKXPUOZNDEAFZ-OAHLLOKOSA-N	245.410	4.664	0	10	BJAE	
CCCc1cccc([C@@H](N)[C@@H](CCC)C(C)C)c1	2028253257	VJLCYTIYYFRTSC-DLBZAZTESA-N	247.426	4.711	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)C[C@H](C)c1ccccc1	2028255864	UGPGOSDOLYVKRJ-UAGQMJEPSA-N	247.426	4.580	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](NC)c1cc(C)c(C)cc1C	2028265356	RQUAFDVYVBCTTP-NVXWUHKLSA-N	247.426	4.555	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC2CC3(CC3)C2)CC1	2029885643	XOVHVLYCNRHPLA-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
O=C1CCC[C@@H](c2ccc(C3CCCC3)cc2)C1	2031746738	OPRGODLVKQYVQJ-MRXNPFEDSA-N	242.362	4.571	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNc1ccc(C2(C)CC2)cc1	2032508270	CDFXIEHRERVXAU-ZIAGYGMSSA-N	243.394	4.586	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H]2CC[C@H](C)C2)c1C	2033401101	HOWOUFBDRLAFBB-ZUZCIYMTSA-N	244.378	4.539	0	10	BJAE	
NC1(CCC2CCCCC2)C[C@@H]2CCCC[C@H]2C1	2034155601	DWHRBAGQKOTWBI-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCC1CC(C)(C)C1)c1ccccc1	2036176777	BLVLWJPGFSJQER-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)C2=CCCCCCC2)C1	2037077535	CJGQRMPGOGLWJG-USXIJHARSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)C[C@H]1C=CCCCC1	2037273377	RDYKDEJYVQREPB-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
NC1(C[C@H]2C=CCCC2)CCCCCCCCC1	2037305676	GAILUZURHWHPMY-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
CC(C)(C)C1CCC(N[C@H]2C=CCCCC2)CC1	2039031881	IRGGWSIDZCDBNH-PCKAHOCUSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@@H]2C=CCCC2)CC1	2039383688	DFYIVQIFNNLXBI-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@](CN)(C2CC3(CCC3)C2)CC1	2039384239	HCYBUAGEBVOCGI-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCC[C@@H]1CC1(C)C	2039439877	BGJQXRNTLNPQND-ZJIFWQFVSA-N	249.442	4.523	0	10	BJAE	
CCc1ccccc1N[C@H](C)C12CCC(CC1)C2	2039860051	ROZKMBRGOBTILB-TUBUQKNSSA-N	243.394	4.630	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	2040681821	WSGHKWHPEYZCAK-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@@]1(C)CC=CCC1	2042030759	OQQZOANPYIQYNS-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@H]1CCC=CCCC1	2045308819	XBCKNPJIBHEMER-IXDOHACOSA-N	249.442	4.811	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CCC=CCCC2)CCCCC1	2045319391	CZKBHMHAOGNCJX-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
O[C@]1(C[C@H]2CCC=CCCC2)CCCC2(CC2)C1	2045334893	MHRCTLQAELEMQU-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](c1ccc(C)cc1)C1(C)CCCCCC1	2045720419	CACYNCZXEQTOOD-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CCC2(CCCCC2)CC1	2046583760	QLXYJSQFRDOAPR-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
O=C(CC[C@H]1CC12CCCCC2)CC1CCCC1	2047028501	YWAAKOMNLIYFOB-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCCCc1ccc(NCC2(C)CC=CC2)cc1	2047726662	PFFSGRCGSXCVPG-UHFFFAOYSA-N	243.394	4.797	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CCC23CCC3)cc1	2047963611	ZLIZLJNXEMWHDM-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@@H]1CCCC2(CC2)C1	2049855228	IYXLTHHSHDTNDN-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC2CCC3(CC2)CC3)C1	2049950851	KFKWNTMJLKEBFB-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@]2(C)C=CCCC2)cc1	2049998460	VQRLWSNJCRMCSV-DLBZAZTESA-N	244.378	4.590	0	10	BJAE	
c1cc(N[C@@H]2CCC[C@H]3CC[C@@H]32)cc(C2CC2)c1	2052286301	ILOJOSBIQBTPJD-RRQGHBQHSA-N	241.378	4.555	0	10	BJAE	
CCC[C@H](C)C(=O)Cc1ccccc1C(C)(C)C	2053969519	JDQWSNHCEWYYHV-ZDUSSCGKSA-N	246.394	4.532	0	10	BJAE	
Cc1ccccc1C(=O)C1(C)CCC(C)(C)CC1	2056540063	UIQHKQBQIIXWRZ-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC1CC(C2CCC2)C1	2056673341	KRCMPSUJHNRXBL-XCAIRMDXSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@]3(C(C)C)C[C@@H]23)cc1C	2058562032	IYICHGFBLNTGNE-GVDBMIGSSA-N	243.394	4.540	0	10	BJAE	
CC(C)C1([C@H](N)C2=CC[C@H](C(C)(C)C)CC2)CC1	2061099991	SZKURRCAAFCIPM-LSDHHAIUSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)CCC2CCCCC2)CC1	2061151692	UPYRXSNLXGHLAV-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CCCCC1CC(N[C@H]2CCCCCC23CC3)C1	2062024335	UGMCZKZKHIUGAV-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
C1CCC2(CCC2)N([C@H]2CCC3(CCCC3)C2)C1	2063285116	UVKJALADHSPFOY-HNNXBMFYSA-N	247.426	4.508	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cccc(C(C)C)n1	2066359962	VASAOTSCIUBLHV-HIFRSBDPSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)CC1CCC2(CC1)CC2	2068273160	GGHRVYAJQTUCMR-HOCLYGCPSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC1C[C@@H]2CC[C@H]2C1	2068707859	MUZZPLBDQREKAN-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068712006	ZHIVYTKQJHSSNE-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1ccc(C2CCC2)cc1	2071491780	XXCCVZPDHSTBAW-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)c1ccccc1C1CCC1	2072093715	GECASYADJUVWCY-JSGCOSHPSA-N	242.362	4.573	0	10	BJAE	
CCNC[C@@]1(CC(C)=C(C)C)CCCC12CCC2	2072414945	MSQIKEHGQSPTRE-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1[C@H]2CCCCC[C@H]12	2072422017	BIBAAWAFSWWWNZ-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CC12CCCCC2	2072422676	FCJCEEZAGSSFCQ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC1([C@H](C[C@]23CCCC[C@H]2C3)NC)CCCC1	2074029576	OIJJFNUOJQBPKI-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN(C)[C@@H]2C=CCCCCC2)CCC1	2074806403	ZFCIJYPUHGDRPS-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CCC[C@H](C=C2CCN[C@H]2C(C)(C)C)C1	2082982350	KGJXMUSCNHLOLW-UKRRQHHQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](n2ccc(C)c2)CC1	2211149071	OWQSHHIXDMVDCY-HUUCEWRRSA-N	219.372	4.718	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](Nc2ccsc2)C1	2212099510	FRFDUEHGTNPUKN-NWDGAFQWSA-N	237.412	4.765	0	10	BJAE	
Cc1cc(Cl)ccc1C/C=C/c1ccccc1	2213822638	KGGVBCHEKPPCEJ-VMPITWQZSA-N	242.749	4.904	0	10	BJAE	
CN[C@H](CCCCC1CC1)CCC1CCCC1	2214575640	ZXHDIUVGJYBFIF-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CN[C@H]1CCC[C@@H](C(C)(C)C)C1	2216256578	IICCNZHTNKOMOG-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H](CN)CCCCCCCC1CC1	2216880742	YRVJNTRPTTVLSY-HNNXBMFYSA-N	239.447	4.748	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)c1cocc1C	2218722433	ARTDGWSSICCNFM-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CN[C@@H](CCCCC1CC1)CC12CCC(CC1)C2	2220040614	NMAMBUUTRIETSG-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CC2(C)CC(C)(C)C2)C1	2221085878	KTCOXQDYJZHWIZ-OCCSQVGLSA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)CC(=O)CC[C@@H]1CCCCC12CC2	2246628082	VXKDXMIVFNAARL-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)CCCC2CC2)C1	2246695080	OCSVAIAUWMWOPY-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@](C)(N)CC1CC2(CCCC2)C1	2246816893	DUPNFBPYBBRERO-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCC(N)(CCC)c1cc2ccccc2s1	2246952721	TXKSOBYGDPZXKJ-UHFFFAOYSA-N	247.407	4.656	0	10	BJAE	
CCC1(C(=O)c2cc3ccccc3s2)CCC1	2246960135	SFJFYYPIXLVDST-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCCC1([C@H](O)CCCC[C@H]2C[C@@H]2C)CCC1	2247172804	BFWXSWZORLKHCZ-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCCC12CC2)C(C)(C)C	2247598396	CEYXZPYPPIIZLP-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1CCCC[C@@]1(C)O	2248807072	NDQFEBWEQRAEGH-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CNc1cccc(C(C)(C)C)c1	2249310850	FJOTYOSJMRPKOP-CYBMUJFWSA-N	233.399	4.832	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@H](CC)CCC	2250369188	UZBQMAAFTFCPAR-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCCC(F)F)[C@H](CC)CCC	2250372478	PNLAUFDUCOCWOM-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1(CO)CC(C)C1	2250488090	ISOZMKLONVDIGE-QQFBHYJXSA-N	240.431	4.638	0	10	BJAE	
CC[C@H](C)C[C@@H](N)CC[C@@H](C)CCCC(C)C	2250525833	XOBJMIOXOARXMD-JYJNAYRXSA-N	241.463	4.993	0	10	BJAE	
O=C(CC[C@H]1CCCCC12CC2)[C@H]1CC=CCC1	2253788717	CLRCXZMHBYVVMR-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)C[C@@H]1CCCCC12CC2	2253820839	VOCSMVVXRDSFMC-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2CC3(CCCC3)C2)C1	2254105502	HEXKMGMFHPGSMJ-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@@H]1CCC[C@H]2C[C@H]12	2254568330	GNGLCORCNFGFAX-JLHDYFKBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1CC(=C2CCC2)C1	2254569710	RYRJQJXJGDWZRL-OCCSQVGLSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1CC2CCC1CC2	2254610922	PQKHBEZCKZIHMA-NVDSNGLKSA-N	248.410	4.598	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2C[C@H]1CCC12CCC2	2254845330	HOUNJUTZORQVHA-ZIAGYGMSSA-N	241.378	4.556	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2CCC23CCC3)CCCCC1	2255014336	BQSLOYFFAVPJNR-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@H]1CCC12CCC2	2255022419	GKALAHUSYWWWAV-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1C[C@H]2CC[C@H]1C2	2257257568	PQSZXNUTYXEFJT-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
c1cc2c(c(OCCCCC3CC3)c1)CCCC2	2257480033	NSFZDSWMENNSJQ-UHFFFAOYSA-N	244.378	4.525	0	10	BJAE	
CC1CC2(C1)CC(C[C@H]1CC[C@H](C)CCC1=O)C2	2259545423	UTFYEMNUKHVOEM-BSTUBKLYSA-N	248.410	4.598	0	10	BJAE	
C1CCC(CCNC[C@]23CCCC[C@H]2CC3)CC1	2260559962	YGQYQELEWYBQKA-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CCC[C@](N)(C[C@@]12CCC[C@H]1CC2)C1CCCC1	2260651866	NTRUQCLGHYSPAC-XIRDDKMYSA-N	249.442	4.645	0	10	BJAE	
CC1([C@@](C)(N)C[C@@]23CCC[C@@H]2CC3)CCCCC1	2260659781	ZCRBMOUDOVFJFB-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc(C)c(CC)c1	2299623390	CCBGRXCZKXIHOP-UHFFFAOYSA-N	232.367	4.566	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CC(C)=C[C@H](C)C1	2300681542	PRJKOFMNMLVENL-RCBQFDQVSA-N	237.431	4.523	0	10	BJAE	
CC(C)=CCCNc1cc(F)ccc1C(F)F	2300716107	KJMORPLHBJONIK-UHFFFAOYSA-N	243.272	4.532	0	10	BJAE	
CCC(C)=CC[C@]1(N)C[C@@H](C)CC[C@@H]1C(C)C	2300919993	BMGMGRFQZZBMGW-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](CC(=O)[C@H]1CC(C)(C)[C@H]1C)C(C)(C)C	2302149137	YNDMNTGIBMQOGZ-XQQFMLRXSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)CCCC2=CCCCC2)C1	2302354660	UKCABIOFEBHLNQ-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)CCN(C)C[C@H]1CCC(C)(C)C1	2302749396	XFLMNJLABBKDOC-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(CC2CCC2)CC1	2307763809	QBZBIYBDUQWVFK-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C[C@H](C)C1CC1)NCC	2307826713	PWSTZCRNEKXSMB-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1CCC[C@H](CC)C1	2307907663	MXXDTAKGXWODFB-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2C[C@@]12CCCC[C@@H]1C2	2311141744	QJYGKEKGBRGKKA-JJRVBVJISA-N	241.378	4.556	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1C[C@@H]2CC[C@H]1C2	2312878562	WQKTVSPLNIJZDD-ILXRZTDVSA-N	244.378	4.625	0	10	BJAE	
CC1CCC(C[C@@H](N)[C@@]23CCCC[C@@H]2CC3)CC1	2313291855	DJMCCHVXLRYKID-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1c(C)cc(C)cc1C	2316247249	BSIHEJMRAYBOER-MRXNPFEDSA-N	247.426	4.828	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1C[C@H]1C1CCCC1	2316507712	DMYPQJSETRLNPY-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC([C@@H](N)CCCC2=CCCCC2)C1	2318577923	ZZBXGXXXEJXXIF-JCYILVPMSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCCC[C@@H]3C[C@H]23)CC1	2319447801	BXMLPQREKVPYNU-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
CCCCC(=O)[C@@H](c1ccccc1)C1CCCC1	2319600373	OHMFIXCRLIWYRT-KRWDZBQOSA-N	244.378	4.720	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](O)[C@]2(C)CC=CCC2)CC1	2320330465	YBPLMNXZGAAWNF-IXDOHACOSA-N	248.410	4.620	0	10	BJAE	
CC1=C(C)C[C@@H](NCCCCCCC2CC2)CC1	2320365771	GAHGAXHLNNNMSP-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@H]2CCCC[C@@H]2C)CC1	2320410892	BLILOCWIXRUOFE-UAGQMJEPSA-N	249.442	4.633	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1cccc(C2CCC2)c1	2320657347	OWEIRYOEOGOXDW-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@@H](CC1CC1)C1CC1	2320771443	JEWLXVXWODUDRQ-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CCN[C@H]2CCCCC23CC3)C1	2321599168	IJVPARQXBAMJFH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CNC[C@]1([C@@H]2CCC[C@@H](C)C2)CCC(C)=C(C)C1	2326704425	MSMPIPGKGAKQIB-XYPHTWIQSA-N	249.442	4.539	0	10	BJAE	
CCCCCCc1ccc([C@@](C)(N)CCC)cc1	2327900970	XHOWSDLVXMXPAC-KRWDZBQOSA-N	247.426	4.783	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2cc(C)oc2C)c(C)c1	20437284	IJPOBNRQVDODIE-ZDUSSCGKSA-N	243.350	4.686	0	10	BJAE	
Cc1c(C)c(C)c([C@@H](N)CCC(C)C)c(C)c1C	21505447	DRAAGGGXEMKWJR-INIZCTEOSA-N	247.426	4.665	0	10	BJAE	
CCCC[C@@H](CC)CNC1CCCCCCC1	21798671	UVLZENLOEGUOLP-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCCCCN[C@@H](C)c1ccc(Cl)cc1	21814129	CKNBFGGGZMFJBE-LBPRGKRZSA-N	239.790	4.571	0	10	BJAE	
CC(C)[C@@H](N[C@@H]1CCCC[C@@H]1C)c1ccccc1	35016164	QCBFPRLZDFUENU-USXIJHARSA-N	245.410	4.552	0	10	BJAE	
CCc1cccc(N[C@@H](C)C2CCCCC2)c1	37214403	VVBFNDIEKBWLHG-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
CCCN[C@@H](c1cccc2ccccc12)C(C)C	54439409	KAUHJTXRJRDNSF-QGZVFWFLSA-N	241.378	4.537	0	10	BJAE	
C[C@H]1CC[C@H](Nc2cccc(Cl)c2Cl)C1	70760347	ZTPGLJUVPDXSGK-IUCAKERBSA-N	244.165	4.594	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCCC[C@@H]1N	71084073	AXNQMGJJBLEEFD-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)c1cccc2cc([C@@H](O)C(C)C)oc12	88072423	FEJGUGPUNCPYOK-NHYWBVRUSA-N	246.350	4.636	0	10	BJAE	
CCC(C)(C)C1CCC(N[C@H]2CC=CCC2)CC1	88747480	MJRPZUXSZXKAHX-PCKAHOCUSA-N	249.442	4.680	0	10	BJAE	
CCC1CCC(Sc2cccc(C=O)c2)CC1	90870288	ZDKVEQXIYKVTOH-UHFFFAOYSA-N	248.391	4.560	0	10	BJAE	
CCCCCC[C@@H](N)c1c(C)cc(C)cc1C	97467977	QCMWINJDZVLPRJ-OAHLLOKOSA-N	233.399	4.582	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](CC)CC[C@@H]1NCC	103936071	IYXZHZBPFDBHTQ-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC[C@@H]1C)C1CCCCC1	103990852	AXQSWKSZUNIBQV-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
C/C=C\C[C@@H](CC)c1ccc(Cl)s1	107596017	MDNHDWRHHQOJMM-AZVKUDOFSA-N	214.761	4.861	0	10	BJAE	
CC(C)(C)C/C=C(\C#N)c1ccc(Cl)cc1	118170138	LAOBTPUFYTXMJO-XYOKQWHBSA-N	233.742	4.683	0	10	BJAE	
CC(C)(C)CCC1(O)CC(C)(C)CC(C)(C)C1	124964641	BTXXIRAQAUSOBN-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C[C@@H](C)C(C)(C)C)cc1C	125398950	XBUKLMKVPPRALC-ZBFHGGJFSA-N	248.410	4.718	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@H]2CCCC[C@@H]2C)c1	132421065	WOMMNEQBZVKCBM-ZOBUZTSGSA-N	245.410	4.533	0	10	BJAE	
CC[C@@H](C)Cc1ccc(-c2ccccc2)cc1	135832962	YZVHGHFGYMRTAS-CQSZACIVSA-N	224.347	4.942	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccccc1C(C)(C)C	163840204	AOWYAFYNOMIOEK-DZGCQCFKSA-N	245.410	4.975	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCCC(C)C)CC1	165688993	WJOOZYDVACYDTB-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CCC1CCCC1	167169363	WYRLRTRNYNCDNL-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](CC)C[C@@H](C)CC	212779595	BYLHCSDUNSTNEV-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)c1c(C)cccc1C	215909521	RDQYYUFDOHDUKZ-VYDXJSESSA-N	246.394	4.553	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](O)c1ccc(C)c(C)c1	225412198	BMCBAHSJSDBUGJ-UAGQMJEPSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H](C)c1ccc2oc([C@H](C)NC)c(C)c2c1	232350892	AUHZGNOZHSVOIY-PWSUYJOCSA-N	245.366	4.535	0	10	BJAE	
CCCCCC[C@H](C)[C@@H]1CNc2ccccc21	232980451	MMVMAHYUVQKNNW-ZFWWWQNUSA-N	231.383	4.802	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)C1(CC(C)C)CCCC1	233289093	YRYWBFBDVZJVQF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](CCC1CCCCC1)NCC	233344864	WOCJSHLFTNPFHH-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C/C=C/[C@@H](C)c1ccccc1NC(C)(C)C	238028056	ZWVYOHFENZOJSB-UVMWJGKXSA-N	217.356	4.577	0	10	BJAE	
CC(C)(C)CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O	250712689	SAFVWWCWUNTJPO-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCCC(C)(C)CC1	251945478	SZCJTLZLECRMLA-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC[C@]1(C)Nc2c(Cl)cccc2[C@H](C)[C@H]1C	258217490	PALATFPEBGQPDQ-RULNRJAQSA-N	237.774	4.674	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CC(C)(C)C[C@H]1C	300691133	QAILBJGHKIWGJH-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CCC(C)(C)C	300809643	FRTMGUXCNSRTAD-ZIAGYGMSSA-N	227.436	4.747	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC[C@@H]2C)c1Cl	300935581	WURPJZYIZLKUIS-CMPLNLGQSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc([C@](C)(O)CCCC(C)(C)C)cc1C	302309387	OOHNBSPXPPBVAK-QGZVFWFLSA-N	248.410	4.727	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cccc(CC(C)C)c1	302437812	SZNLONMGQZSXRV-YOEHRIQHSA-N	247.426	4.711	0	10	BJAE	
C[C@@H](CCC1CCCCC1)[C@@H](N)c1ccccc1	305895184	DPIHVHCEVJNRBY-WMLDXEAASA-N	245.410	4.683	0	10	BJAE	
CC1(C)CCCC[C@@]1(O)CCC1CCCCC1	305896029	IVKLWPHDRDJXBG-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)[C@H](C)C(C)C	305924627	NABCYWGWIHFNBH-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
Cc1ccc([C@@](C)(N)C[C@H](C)CC(C)C)cc1C	306016412	XODRFHKBJZVKQT-DYVFJYSZSA-N	247.426	4.550	0	10	BJAE	
CC1CCC(CCN[C@@H]2/C=C/CCCCC2)CC1	306018953	PWBZRIHGKQXELX-SMNWRDTRSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	308053163	IAOGWTAOELAJAH-LXTVHRRPSA-N	238.415	4.700	0	10	BJAE	
CSCc1ccccc1-c1ccc(C)cc1	309534763	DXKSVZPUGGNANU-UHFFFAOYSA-N	228.360	4.525	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@H]1CCCCC12CCCC2	310799733	WXNZXWBXOHKYDR-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@]1(CNCC)CC[C@H](CC)C1	317267799	NINBFXVQYGRZQT-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CC[C@H](CC)CC1	328259151	MOUCHKBHUUVLHQ-HDJSIYSDSA-N	224.388	4.598	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)c2cc(C)cc(C)c2)CC1	328372405	WMQYWNNRVWWZQA-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
CC[C@](O)(C[C@@H]1CCC[C@@H](C)C1)c1ccccc1	380955442	RFJSDDRQNAIWQV-INMHGKMJSA-N	246.394	4.501	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1C[C@@H](C)c2ccccc21	381169553	KKCLLAXZJYHAPE-KEYYUXOJSA-N	245.410	4.793	0	10	BJAE	
CCN[C@@H](CC1CCC(C)CC1)C[C@@H](C)CC	383962352	XNFPKXKWLGCVSQ-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C)[C@@H](C)CCCCCC(C)C	394773085	VHFKVMUKULMYCA-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)NCCCC1CCCCC1	395246186	XWWFWTSKJBLYFL-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@@H]1C[C@H]1CC(C)C	395659202	CYPGUMJIWULULN-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCc1sc2cccc(C)c2c1C(F)(F)F	396301576	JPNXWNRASLSNHG-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCc1c(C(F)(F)F)ccc2cc(F)sc12	396307074	YMXYFEDYBDUGRC-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
Cc1c(S)ccc2c(C(F)(F)F)csc12	396308870	SBTYIBFPEWFECJ-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCN[C@@H](c1cc(C)cc(C)c1)[C@@H](C)C(C)(C)C	399213031	VQJXASYHNDPTBO-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)c1ccc(C(C)C)cc1	401520270	NZWKWQXWQAGZKV-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1CC[C@H]2C[C@@H]2C1	403318064	HATAMRDVCANVEK-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCC1CCC1)CC1CCCCCC1	688358530	LPAWBXKUVDSTDF-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](Nc1cccc(C2CC2)c1)C1CC1	690161194	VPUWHRYUEQQQFU-MRXNPFEDSA-N	229.367	4.555	0	10	BJAE	
CC1(C)CCC[C@H]1Nc1ccc(C2CCC2)cc1	690162306	SGCXPLRQPLOOLK-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CCC1CCC(N)(C[C@@H]2CC3CCC2CC3)CC1	691726712	GRPYPRSLFCUWHO-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC[C@@H]1CCCC2(CC2)C1)C1CCCCC1	695692383	VUSZSDKRHQXRRA-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCn1ccc2cc(F)ccc21	696781933	LMCYGIRGBKVMGQ-UHFFFAOYSA-N	233.330	4.607	0	10	BJAE	
C1CCC(CCCNC2C[C@H]3CC[C@H](C2)C3)CC1	697679887	BSFNREYRRQDXES-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	703732947	GQLSKPIUARBJLL-DAXOMENPSA-N	233.399	4.738	0	10	BJAE	
CCC[C@](N)(CCC1CCCC1)[C@H]1CC1(C)C	704473018	ILVOTUTYUSTWFJ-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)[C@@H](C)CC(C)(C)C)C1	704609956	HFAIURXCQSIOPC-LJISPDSOSA-N	240.431	4.636	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H](C)CC(C)(C)C	709119731	UQQWKVAZTQAYPA-CYBMUJFWSA-N	246.394	4.894	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(C2CC2)cc1	709671117	HQRJYTBRUBPMPI-CQSZACIVSA-N	217.356	4.555	0	10	BJAE	
CCC(C)(C)[C@H](C)NCc1cc(C)c(C)cc1C	710027300	UTSBPLPTNAYOHT-HNNXBMFYSA-N	247.426	4.526	0	10	BJAE	
C[C@H](C[C@H](O)c1cccc(C2CC2)c1)C(C)(C)C	710788086	QORCLCHTVHBWGT-WBMJQRKESA-N	246.394	4.670	0	10	BJAE	
Cc1ccc(NCCCC2CCC2)cc1Cl	711171750	RVIMWIBGKWYPHI-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)C[C@H](C)C(C)(C)C	711182528	JRCVZXHQIWESNT-UELRPHRMSA-N	239.447	4.783	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC(C)C)CC=CCC1	713153154	OTCZWVXSUPJAGD-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
C=C/C=C\CC[C@]1(CNC(C)C)CC[C@H](CC)C1	713723475	GCUKYSFEVUVESB-IIAQQRLMSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@H]1C=CCCCCC1	717461106	DESCHOHAVCRRBR-OWCLPIDISA-N	249.442	4.680	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)C1(CC)CC1	718596295	SRHOMBGSNGLIGB-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)C1=CCCCC1	720977769	OIBDVGQWSPUFAC-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C[C@@H]1CC12CC2	723180645	AKSFIZIEKXVATE-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCCN1CCC1=CCCCC1	1307483892	WZGCFOQULDUYFC-MRXNPFEDSA-N	235.415	4.532	0	10	BJAE	
CC[C@@H](C)[C@H](C)NCc1cccc(C(C)(C)C)c1	1307624837	JPTDFESZQLNDHE-KGLIPLIRSA-N	247.426	4.508	0	10	BJAE	
C=C/C=C\CCSc1ccc2c(c1)CCCC2	1644018689	WEBMSKDEKCRAPL-ARJAWSKDSA-N	244.403	4.790	0	10	BJAE	
CC(=CCNCc1ccccc1)CCCC(C)C	1887871724	ODQUBYWCPQLGAE-UHFFFAOYSA-N	245.410	4.549	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)[C@H](C)CC(C)C	1905430634	CYMKIMICIAJAMQ-ILXRZTDVSA-N	227.436	4.602	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1N[C@H](C)CCC(C)(C)C	1907596551	OZMDLIHVSYKJPZ-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H]1CCC2(CCCCC2)C1	1915872838	UKUKZGPIUXQHGE-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCCC(C)(C)C	1920187458	KFMYWHRMFOPNIL-ZFWWWQNUSA-N	227.436	4.747	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CC[C@H]1CC1(C)C	1921565187	WAFATEBNGHZLMM-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)C[C@@H]1C=CCCCC1	1925947524	BIYQGRJNELKWPE-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1C[C@@H]1CC	1925949884	VPQVOMUDZMDAPT-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1ccsc1Cl	1933788233	DXJTWBHFERYSSR-SNVBAGLBSA-N	245.819	4.618	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCC(C)(C)C)CC1	1939904503	XOFZKRPPWGITBX-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@H](CC[C@@H]1CC1(C)C)NCC	1940857357	WMKMVLLZJPWOAO-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C(=O)c1ccc(C)cc1C)C(C)C	1941264095	HLHPIXZIKSDERQ-CQSZACIVSA-N	232.367	4.558	0	10	BJAE	
CCC[C@H](C(=O)C[C@@H]1CCC[C@H](C)C1)C(C)C	1941265611	XEYSVSRKJREXPB-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)CCCC1CCC1	1941465840	RDPWAHWFOXTRDV-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)C1(CC)CC1	1941587397	RXMYKEXCFBAJCG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)C1(C)CC(C)(C)C1	1941986932	FXWILTJAVYJWBU-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC(C)C)[C@H](C)CCC	1942651764	ABLFYAHFMRNXPO-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
Cc1cscc1N[C@H]1CC(C)(C)CC2(CC2)C1	1943082365	NSTHJYHRQDDKLR-LBPRGKRZSA-N	249.423	4.827	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)C(C)(C)C(C)C	1944668316	MDAZXEIFKOVMFY-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC1(CN)CCCCCCC1	1944820172	PKDYIDSXNSTKMQ-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CC(C)(C)NCC=CC(C)(C)C1CCCCC1	1946186759	BHEVQJCUAQUWOH-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CC[C@H]2CC[C@H]1C2	1947123500	KZRPTNLDQGBDOB-XUJVJEKNSA-N	249.785	4.639	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)CCC1CCCCC1	1947461024	HYQJKNLYARKBTQ-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
FC(F)(F)c1ccccc1C[C@H]1C=CCCC1	1947551587	HJPMLCYNDOLHQJ-NSHDSACASA-N	240.268	4.604	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@@H]1C=CCCC1	1947593265	PHUMKVLFQUTKGR-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@@H](N)CCC2CCCCC2)CCC1	1948932122	FVPBYUJBLRLQMP-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCC[C@](N)(C[C@@H](C)C1CCC1)C1CCCC1	1949039566	DBMDWANRYHFBFF-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](N)CC1CCCC1	1949861876	KHQPQUSQDRUWGT-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC1CCC2(CCC2)CC1	1967790598	KARHIMORXVYNCI-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
Cc1ccccc1NCC[C@H]1CCC[C@@H](C)C1	1968253228	ZBUOMRMAPBWSEX-UKRRQHHQSA-N	231.383	4.623	0	10	BJAE	
C1CCC2(CC1)CCN2[C@@H]1CCC2(CCCC2)C1	1969769103	BMQRJKXSOPYZOD-OAHLLOKOSA-N	247.426	4.508	0	10	BJAE	
CC1(C)C[C@H]1CCN1CCCCC12CCCCC2	1972913082	UDYFPIZQXFGDBL-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@@](CC)(CCC=C(C)C)CNC	1978640513	XBNZBBTVLHXVQE-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CCCC[C@](O)(CC)CC1(CCC)CCC1	1988462168	RDGANKIKRWJBIE-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(N)(CC)CC)CC1	1989814393	NFEJKCKRPLTYAT-HDJSIYSDSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CC=C(C)C)NC	1995259117	KGRJFWUSUCJSGE-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CC2CCCC2)CC1	1997107787	DWDIYOAOZAGADG-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(N[C@@]2(C)CCCC2(C)C)CC1	1997340421	GSSSXGFWFOPYKQ-XUJLQICISA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H]([C@@H]1CC=CCC1)C(C)(CC)CC	1997543065	DJKJRRXDQTYWIX-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(Cl)c(NC2[C@H]3CCC[C@H]2CC3)c1	1997559108	TUNHSTDIEMDQRP-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
C[C@@H](C[C@H](O)CCC1CCC1)C1CCCCC1	1998047969	RGUWATBYMZHOFC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H](C)C1CC(C)(C)C1	1998649660	JLNCQADNKCYWCB-KGLIPLIRSA-N	239.447	4.616	0	10	BJAE	
CCC1CCC(O)([C@H]2CCCC(C)(C)C2)CC1	2000026272	BGHKHWMCVWZDKO-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]([C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000050134	DHSBWQJWOCYBII-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)CC1CCCC1	2000515004	YDBANPZCGIELAZ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCCN(C[C@H](C)C(C)(C)C)CC1	2000906137	GZADTCDOZBCQRF-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@]1(C)CCCC1(F)F	2002576700	OCPSEKPADQAUTC-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2002750557	RXMKPVWDHDHVJP-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2002779469	JDBOTXQLLHEFDG-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@@H]1CCCC(C)(C)C1	2002971357	BTZRTPJZRDTMHH-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H]1CC[C@H](C)CC1	2003066690	HAHOLLGPCARJFF-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CCCC(C)(C)C)[C@H]1C	2006980307	OMEWUBOZWMTXCI-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C=C2CCCCC2)CC1	2007969119	YAFALUMZGXXJOU-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
O=C(CC=C1CCCCC1)CC1CCCCC1	2007988904	OKLNOHMPSHBISG-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
C/C=C/C[C@]1(CNC(C)C)CCCCC1(C)C	2008053147	IWGMLJQQNBXYRK-FYCOFBDGSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1NCCC12CCCCCCCCC2	2009062786	LXSIRCKULOVAKP-OAHLLOKOSA-N	237.431	4.659	0	10	BJAE	
C/C=C/CCCC1(N)CCCCCCCCC1	2009575696	GAWHZNIVNLHKIL-NSCUHMNNSA-N	237.431	4.955	0	10	BJAE	
CC=CCCC[C@H](C[C@@H](C)C1CC1)NCCC	2009597057	ZAITXXVPAZZODL-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC1(CCC(=O)C2(C)CCCCCCC2)CC1	2009603491	NAAQHOMBGQKQGM-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(C)C(C[C@@]1(O)CCCCC[C@@H]1C)C(C)C	2015278736	QQHVAFIEGAHLMJ-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C[C@@H](C)C(C)C	2015407787	DKLZCKSPZNURKN-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CNCC(C)(C)CC(C(C)C)C(C)C	2015409911	SHKWANQRCOCDGC-UHFFFAOYSA-N	241.463	4.577	0	10	BJAE	
CCCC1(C[C@@H](CCC(C)(C)C)NC)CCC1	2015641621	HGFBZPZGFJUIIE-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1CCC(C)CC1	2016114967	MZCFMZQCMATWLA-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC[C@H]1CC[C@H](CC)CC1	2017723522	UIWMBPVRXBSCIR-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(N)C=C(C)C)CC1	2017770118	HVUCZXDJAQEZDE-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1C=CCCCC1	2018137894	ZTGOUUJKAABIBI-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1CCC[C@H](C)C1	2018138001	BDNXSNZXHVZHPE-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCC1(CC(=O)c2cc3ccccc3s2)CC1	2018946159	YUUKZBJFQSOMIT-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCCC[C@@H](C)N(C)[C@@H]1CCC12CCCCC2	2019256543	NHBPXOLIZKPLIK-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CC(C)CCCCCN1CCC[C@H]1C(C)(C)C	2019340933	UNFWCFDIZQZCOR-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CCC[C@H](C)[C@@H]1C	2023000215	ZUPBHVHOPNPERZ-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@@H]1CCCC(C)(C)C1	2024124577	OFNKHWLBONUWNL-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)C[C@@H]1CCCC(C)(C)C1	2024127996	IYDLFSVPTPIYRV-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CC1CC=CC1)NC	2026167933	WDANVAUXFLLLPM-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCC[C@H]2CC2(C)C)c1	2027832737	NAQOLZUHOIYWJE-JKSUJKDBSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1coc2ccccc12	2028231755	HZFROODQQRJPGF-MLGOLLRUSA-N	246.350	4.539	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1ccccc1C1(C)CC1	2028599498	AKOGIGSRSVIRLD-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)C1=CCCCCCC1	2032299376	DQIZAPWRTPNRHP-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)c1ccc(O[C@@H]2[C@H]3CCCC[C@H]32)cc1	2033478882	MVDOGVJDCRFQDV-ZSHCYNCHSA-N	244.378	4.552	0	10	BJAE	
C[C@H]1CNC2(CCCC2)[C@@H]1CCC1CCCCC1	2033535018	MYFZNFCCDNCLDZ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H]1CC1(N)CC(C2CCCCC2)C1	2033782760	NVFOZUNSEFPOKA-OBTMHIKCSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@]2(N)CC[C@@H]3CCCC[C@H]32)CC1	2034255917	GIPIAMOUHQUBBB-DSIITGHMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1C[C@@H]2CCCC[C@@H]2C1=O	2034259328	RLWSUQGOMBBJMY-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
C1=C[C@@H](N[C@@H]2CCCCC23CCC3)CCCCC1	2035861406	GZZUXIDLMVJMKB-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)CCC1CCCC1	2037105927	VLUQYLSAGHKDEK-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)C[C@H](C)CCC1=C(C)C	2037172574	WGYFPVMQLLCADM-PBHICJAKSA-N	249.442	4.977	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@]23CCCC[C@@H]2CCC3)C1	2037682054	KAINFJVXPJKTBF-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](CC)CC2CC2)c1	2038363930	SSIDMPHMQAHGSK-INIZCTEOSA-N	245.410	4.802	0	10	BJAE	
C[C@H](C[C@@]1(N)CC12CCCCC2)C1CCCCC1	2039010469	ZAYVUWQPNFBCQK-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](O)C1=CCCCCCC1	2039434694	LFGFMRGOUFZUKX-USXIJHARSA-N	248.410	4.620	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@H]2C(C)=CCC[C@H]2C)C1	2039442271	RSDYSGQUVJRHGW-NRKLIOEPSA-N	249.442	4.523	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@@H](N)CCCCCC1CC1	2039443308	ZJHAQZLTAUKINO-PVAVHDDUSA-N	249.442	4.667	0	10	BJAE	
CCCC1(NC[C@H]2C(C)=CCC[C@@H]2C)CCCC1	2039453089	OQYCBGMYMDURFP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1cc2cc(C)ccc2o1	2040724251	TZMKFLNQTIKJFM-OAHLLOKOSA-N	245.366	4.567	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)C[C@@H]1CCC=CCCC1	2045315757	XHZKEGQVIWATQU-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@H]1CC(C)=C[C@@H](C)C1	2045697442	ZAQUVRZXTMLLGV-KBRIMQKVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)CC2CCC3(CC2)CC3)C1	2049858335	REMCFWFTGJQQNF-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CCCC(C)(C)C2CC2)cc1	2050460556	KDODALLDDHLXMA-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CC1(CN2CC=CC23CCCCC3)CCCCC1	2051889912	OBTUSQSGSOZDQS-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CCc1ccc(C=Cc2nc3ccccc3o2)cc1	2053614474	UQABLKDGUUWMQM-UHFFFAOYSA-N	249.313	4.561	0	10	BJAE	
CC1=C(C)[C@@](O)(C[C@@H]2CCCC3(CC3)C2)CCC1	2055605193	XGQQEXMFCJJQOI-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1CCC[C@@H](C(C)C)CC1	2055671466	INZDXUOKUBPFDG-ZACQAIPSSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](C=C2CCCC2)NC)CC1	2056869752	DWGANPCHOBATSK-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1CCC[C@H]2C[C@H]12	2057355976	ABQXTXNNEILTHF-YQQAZPJKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(NCC2(C3CC3)CCCC2)CC1	2057603216	DOBKYUCIKBBBBS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCC[C@@H](NCC)c1ccc(F)cc1	2059247560	RXBLAGHKFKKYCM-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1cccc(C)c1C	2059252397	HUJUWACQESZSFK-QQOXCAACSA-N	245.410	4.700	0	10	BJAE	
CCC1=CCC[C@]1(O)C1=CC[C@@H](C(C)(C)C)CC1	2061082248	UOXZBIWPKFGFDY-RHSMWYFYSA-N	248.410	4.620	0	10	BJAE	
N[C@@H](CCC1CC(=C2CCC2)C1)CC1CCCC1	2061742582	ZXVWTSDUHCUCNE-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@@H](CC23CCC(CC2)CC3)[C@H](N)C1	2065328885	SYHXDTOREATNHI-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccccc1[C@@H](O)C[C@@H](C)C(C)C	2068837105	PPTZZJOLYAUBRJ-PBHICJAKSA-N	248.410	4.601	0	10	BJAE	
CCCC1(CC(=O)C[C@H]2CCC23CCC3)CCC1	2069285235	PNLHNQFSABMNCE-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)c1ccccc1C	2070399350	QIJIOWAAIOUZJP-HOTGVXAUSA-N	245.410	4.781	0	10	BJAE	
CC1(CCN[C@H]2CC[C@H]2C2CCC2)CCCCC1	2071785360	GZPRCVQSTUCXPZ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)C[C@H]3CC[C@H](C3)C2)CCC1	2071940223	INZWJADMQYMJKY-HALDLXJZSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)CC1CC2(C1)CC(C)(C)C2	2072085456	ZATLPVVYMHYSKO-JSGCOSHPSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2CCCC23CC3)CC1	2072870391	BJLRUBMLFGQWGN-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCC1CC(C[C@H]2CCNC3(CCCCC3)C2)C1	2074142039	OUBNJBYZAMFGLN-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CC(=O)C[C@@H](C)c2ccccc2)CC1	2074587095	PJKRTTKLBMNSBB-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@H]2CC3CCC2CC3)CC1	2074623432	HPMMUVXMVDLBPE-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
O[C@]1(CCC2=CCCCC2)CCCCC12CCC2	2075721449	PFFPKAICHQAIHJ-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1	2079492079	NXRVUXJMWWKFNL-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C1CCC1)c1ccc(C)cc1	2080240916	KMVLGRDSVFHAKD-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCCc1cccc([C@H](CC=C(C)C)NCC)c1	2081789210	NENPGSRUVCKHGX-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CCCC[C@@](N)(CC)CC1C2(CCC2)C12CCC2	2083565752	DNKSFAVPCYCASX-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](N)CCC1CC2(C1)CC1(CCC1)C2	2083615058	HJTFJCURTFUART-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H]2CCCNC23CCCCC3)C1	2083815596	HVEANBBDATXLFQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H](N[C@@H]2CCCCCC23CC3)C1(C)C	2084368725	RIMAPHQHIBSOAL-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)[C@@H](N)CCCCCCC1CC1	2210525559	RUTWFKOOERKERC-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CCC([C@H](O)CCCCC2CC2)CC1	2214563383	PYJBDRJAHMUTBW-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)CCCCC1CC1	2214563470	BSUNZUBZOIVTEB-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](O)CCCCC1CC1	2214580892	MMWNHTIQPNOZBG-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC[C@@H](N)C1CCCCC1)CC(C)(C)C	2214775247	HPJYXMXMLQKFLV-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CC[C@H]1CC(=O)c1csc2ccccc12	2215064718	QIRTWIJHIRVHMH-QWRGUYRKSA-N	244.359	4.520	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C2CCCCCC2)CC1	2215822876	CCGKTIHRUWKDHO-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CN(CCCCCCCC1CC1)C1(C)CCC1	2216876711	FLRMWAHJPXGDQJ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC1(CCC(=O)CC2C[C@H]3CCC[C@H](C2)C3)CC1	2218383891	YVPCGJAETWJKRC-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CC=Cc1ccccc1	2219043569	JSPNVQZWVBVTOB-INIZCTEOSA-N	246.394	4.667	0	10	BJAE	
CCCNC[C@@]1(CC2CCCC2)CC=C(C)CC1	2221667093	RYMYADZDGNJXDY-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)C[C@H]2CCC[C@@H]21	2223154386	JFPKPCOGHNIJOU-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CCCC1(CC(=O)c2ccc3occc3c2)CC1	2224154491	YJBLBQGNBIGULB-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccc2occc2c1	2224163977	YJWHMNITHDPVQZ-UHFFFAOYSA-N	242.318	4.752	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(C)c(C)c1	2244799278	GGNAOKUNWRWKQB-AWEZNQCLSA-N	219.372	4.542	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H](CC)CCC	2244800672	HROSREYUOMRNTR-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC1CC(C)(CC(=O)C[C@H](C)CC(C)(C)C)C1	2246573181	NXGJMGGUNDVWBC-FUJMWEONSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CC[C@H]1CCC[C@@H](C)C1	2246664590	PREBKPOFBSMTNJ-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC(C)(C)NCC[C@@H]1CCC[C@H](C)C1	2246697045	ZZFQBUSSZCMSIL-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN(C)[C@H](C)CC(C)(C)C	2247168144	ZJUCTOMODJGJIW-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@@H](C)CCC(C)C	2250354523	DQGMHQBSMWDKKX-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)[C@@H]1CC1(C)C	2250475905	MOYPETJTGYTGSP-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2(N)CC3(CCCC3)C2)C1	2253998711	VTMPQRZOJTXWDM-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2CC3(CCCC3)C2)C1	2254063854	VGPHZFIHOWEPDU-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)CC1CC2(CCCC2)C1	2254121070	BNXLIXGPWYRULF-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](NCCCC[C@@H]1C[C@@H]1C)c1ccccc1	2254535427	PVIADVXKNWKCIU-UAGQMJEPSA-N	245.410	4.554	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@H]2CCC23CCC3)C1	2254971696	CICWXOFLWSVXHU-AEGPPILISA-N	246.394	4.518	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)CC2=CCCCC2)CC1	2255049111	GVNDICAMLWEWAH-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(CC2=CCCCC2)C1	2255134149	SICQOSJNQNCBNE-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@@H]1CCCC12CC2	2255247278	QDVOKTMHBSEZFO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCCC23CC3)c(F)c1	2255327809	FDXHXGCHIHKFFN-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CN(C1CCC=CCC1)[C@@H]1CCC2(CCCC2)C1	2257941282	AEZQSWPOVHMWSW-MRXNPFEDSA-N	247.426	4.530	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)c1cccc(C)c1C	2259456748	ZLHGDWBEPPTEJQ-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@]12CCCC[C@@H]1CC2	2260489221	KLMRQPCXPKMMBB-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@]23CCCC[C@H]2CC3)C1	2260517377	AXAMQVQZEHMZNP-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@]12CCCC[C@H]1CC2	2260591189	JVBROVSRWFFSJK-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](C[C@@]12CCCC[C@@H]1CC2)C1CCCCCC1	2260679409	QYKGHMQGKWXEDT-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C[C@@]12CCCC[C@@H]1CC2	2298706536	BDPHNOGXEDNTTK-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H](N)CC1CCCCCC1	2298921694	XEBZZZGERDTNTL-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@](C)(C(=O)CCC1=CCCCC1)C(F)F	2299824534	FYRLRTGQZXXRHE-CQSZACIVSA-N	244.325	4.518	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)CCC1CC1	2300683521	KNNYEBDTEZZNKY-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC=CC[C@H](NCC)c1ccc2sccc2c1	2300882713	WZPFSOFZDTXESP-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@H](N)C1)CCCC(C)C	2300889442	VZWAUBSVJQVVPZ-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC(=CC[C@](C)(N)CC1CC1)CCCC(C)C	2300903131	ARVUWMNMUPXEMT-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](C)c1ccccc1C(CC)CC	2302237648	FAJRZENHBITQRQ-CYBMUJFWSA-N	233.399	4.651	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)CCCCC2CC2)C1	2302571070	GPYWIBJDJHIYBT-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC[C@H](O)CCC[C@@H]1C[C@H]1C	2302609322	QALZOFSJGNPJHR-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C[C@H]1CCC(C)(C)C1	2302682707	LVJHQXDCQVAGJW-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CC[C@H]1C(C)(C)C	2303403004	HZHOJHBSZAQHCI-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)CCC1CCC1	2303476458	RTSMQBDSQHLRKD-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@H]1CC[C@H]1C(C)(C)C	2303509037	VBZVGNKDZMHWIR-BFHYXJOUSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](O)C2(C)CCCC2)C1	2304399230	LBFPSPVNJQPDCJ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(C)CCC(C)CC1	2307763911	RCSPBLHRRMFTFV-BBBYJDLNSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H](CCC)CC(C)C	2307900494	GELUXBNBBJORHQ-JYJNAYRXSA-N	241.463	4.993	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@@H](N)C[C@H]1CC[C@H](C)CC1	2311020729	JMSFORJJQLKGBD-FYNNLBNCSA-N	249.442	4.523	0	10	BJAE	
CC=C(CC)[C@@H](NC)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2311327988	IURNITMCYFMVDL-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C[C@@]23CCC[C@@H]2CC3)CC1	2313330134	DMGXAKRFJRSOPS-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(C[C@@]12CCCC[C@@H]1CC2)C1CCCC1	2313345004	BCGJNJYFMDDXMO-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
CCc1cc([C@@H](O)[C@@H](C)CC(C)(C)C)ccc1C	2314696555	FYXJCMAHSPRYHQ-BBRMVZONSA-N	248.410	4.663	0	10	BJAE	
CC(=CC[C@H](N)[C@H]1C=CCCC1)CCCC(C)C	2316503478	PRZGPENIOPWFDD-IRXDYDNUSA-N	249.442	4.833	0	10	BJAE	
CCC(C)=CC[C@@H](O)[C@@H](c1ccccc1)C(C)C	2316533533	APFNFGXINYOOEP-IAGOWNOFSA-N	246.394	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316791628	OSOPUYNSBYKCND-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CCC[C@H]1CC2)[C@H]1C=CCCC1	2316879849	HDBMIQCLUWWWTH-YHUYYLMFSA-N	246.394	4.518	0	10	BJAE	
O=C1C[C@H](CC2CCCCCC2)CC2(CCC2)C1	2317010106	ZZSXOBYXLWAVJY-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1ccc2c(c1)CCCC2	2317822444	BPXIFFVGCCTQOU-KGLIPLIRSA-N	245.410	4.658	0	10	BJAE	
COc1cccc2c1ccn2[C@H](C)[C@H](C)C(C)C	2317827930	ORGLIFCRCUUTPQ-CHWSQXEVSA-N	245.366	4.503	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CCC[C@@H]2C[C@H]12	2317927083	ALGYCFXNUZZGER-UGFHNGPFSA-N	247.357	4.550	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2319124550	TZLHAKQHVIHENW-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](N)c1cc(F)ccc1C1CC1	2319169367	POVIMMKUNFBIET-MRXNPFEDSA-N	249.373	4.529	0	10	BJAE	
CC1CCC(CC(=O)C[C@H]2CC[C@@H]2C2CC2)CC1	2319501548	COBOEHKMOHIQOD-KWVKFQHESA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@H]2C[C@@H]2CC(C)C)CC1	2320396800	DYXGCSIGYGMZJV-QZWWFDLISA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@]2(C)CCCC2(C)C)CC1	2320412715	PFRTZUCCCDUTPX-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)CCC(C)(C)C)c1	2327673727	SJUSETTXXGQZGL-INIZCTEOSA-N	247.426	4.945	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2cccs2)cc1C	19920145	HTWOHCVCUHKWKK-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
C[C@H]1CCC[C@H](C)C1Nc1ccccc1Cl	21060183	SZDXEYCHMLSAIG-QWRGUYRKSA-N	237.774	4.577	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@H]2CCCC[C@@H]2C)c1	21505471	FSMHKHJMVWMIPA-ZOBUZTSGSA-N	245.410	4.533	0	10	BJAE	
CCC[C@@H](C)N[C@@H](c1ccccc1)C(CC)CC	37107766	OVRVBZQTUDWTDI-RHSMWYFYSA-N	247.426	4.942	0	10	BJAE	
CCc1cccc(C)c1NCc1ccc(C)s1	37763944	MQEFVFMXYNDLMA-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCC(=O)c1ccc(-c2cccc(C(C)C)c2)o1	54106794	VLGWPKNBOZSWBN-UHFFFAOYSA-N	242.318	4.663	0	10	BJAE	
Cc1cc(-c2cccc3ccccc23)ccc1O	65340498	GLXKNXKRXYGDOP-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
Cc1cc(C)c(NC2C[C@@H](C)C[C@H](C)C2)c(C)c1	84468598	CXGWSXQBEVSCOP-RYUDHWBXSA-N	245.410	4.848	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)C1CCC(CC)CC1	85083065	QXWIZPIZRLNMJG-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1sccc1Cl	87620830	DVAADVKKSATTKW-VIFPVBQESA-N	244.787	4.801	0	10	BJAE	
CCCN[C@@H](c1ccco1)C1CCC(C)(C)CC1	87943699	LKCIVJLCKIRMFG-OAHLLOKOSA-N	249.398	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)c1ccc(C)cc1	109719852	KIDTUOLUEFPVSU-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CCCCC[C@@H](NCC)c1cc2ccccc2o1	112901013	KOLMCIPCQFJTQU-CQSZACIVSA-N	245.366	4.664	0	10	BJAE	
CCCN[C@@H](CCC)CCC1CCCCCC1	149435925	MBSNORAAAWMMON-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
Cc1cc2ccccc2n1CC1CCCCC1	203508332	ALJSASDGTULYKL-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
C(=C/c1ccccc1)\Cc1coc2ccccc12	211950768	BWAOCRIEKDZGKE-RMKNXTFCSA-N	234.298	4.689	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC)[C@@H]1CCC[C@@H](CC)C1	227005773	VXOJEIYDJNWCIP-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC(C)C)C[C@H](C)CC(C)(C)C	229180002	CHXVQLHXGRXRSA-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H](C)NCC1(CC)CCC1	232966888	QTWCRCSVGWAKKO-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1ccoc1Cl	233001240	QCSYALWGFHGLME-SNVBAGLBSA-N	242.746	4.722	0	10	BJAE	
CCC(C)(C)CNc1ccccc1C(F)(F)F	233032320	VISYZANGOGSDLJ-UHFFFAOYSA-N	245.288	4.554	0	10	BJAE	
CCC1(CN[C@@H]2CCC[C@@H](C)CC2)CCCC1	233088847	MCAKRNPCBKZIQO-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@@H]1C1CCCCCC1	235717400	JWNQHEZRXVRCEV-GUYCJALGSA-N	243.394	4.630	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@H]1CCC[C@H](C)C1	253047976	RGRSGRNFFIKDJI-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)[C@H](N)C1CCC(C(C)(C)C)CC1	300467842	PZNDISFPUORXMG-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@@H](CCC)CCCC(C)(C)C	300958919	YESOZOHSBJDIOQ-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CCc1ccc(NCC2CCC(C)CC2)cc1C	302347876	VYEVPZOJTWJTQK-UHFFFAOYSA-N	245.410	4.796	0	10	BJAE	
CC(C)(C)CCC[C@H]1CC(C)(C)CC[C@@H]1CN	302354671	WXUKXJAYZMGJJR-UONOGXRCSA-N	239.447	4.604	0	10	BJAE	
C[C@@H](CC[C@H]1CCc2ccccc2N1)C(C)(C)C	302515244	ZTDZKDACIBQBMP-ZFWWWQNUSA-N	245.410	4.876	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)CCC1CCCCC1	305905376	CNNKHCXFDZCGOP-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)C1(C)CCCC1	305914760	GMYCNYSWCPRQKU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CSc1ccc2sc(Cl)c(S)c2c1	307029400	OFGDWOYRFCBSKA-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Fc1c(C(F)F)sc2c(Cl)cccc12	307093579	SRGQIJVKVFTLPM-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC(C)(CN[C@H]1C=CCCCCC1)C1=CCCC1	308769659	ZSDUXACLALAIQI-INIZCTEOSA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(O)CCC(C)(C)CC2)C1	310187034	XVIFZLVJAHWACZ-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CNCC1([C@@H]2C=CCCCCC2)CCC(C)CC1	317734851	MMGIEUVQGDYCBK-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CC[C@](O)(CCCC(C)(C)C)c1cccc(C)c1	385120085	DMUILNPOVFHHPF-KRWDZBQOSA-N	248.410	4.809	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC/C=C\c1ccccc1	386107476	JPUZPYKDEVRVRB-MEODZPNASA-N	245.410	4.504	0	10	BJAE	
CC[C@H](C)CCNc1cccc2ccccc12	394390691	CVDKGRWROYYBHQ-ZDUSSCGKSA-N	227.351	4.688	0	10	BJAE	
CCC[C@](O)(CCCc1ccccc1)C(C)(C)C	395258461	FIGDGUWSYRUAFC-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
CCc1sc2cc(C(F)F)ccc2c1CC	396165277	DRYKVKYSFFAWNC-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCC[C@H](C)[C@@H](N)C1CC(C)(C)CC(C)(C)C1	688347391	WBHXEIWINBUHTF-GXTWGEPZSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CCCC1CCC1)NCCC	688356987	DNOFVXRUGSQEDE-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC1(C)CC[C@H]1Nc1cccc(C2CCC2)c1	690110660	MJEHOMOXHHXGSE-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
C[C@@H](Nc1cccc(C2CC2)c1)c1ccsc1	690165485	XFJXJIOJSDXHGZ-LLVKDONJSA-N	243.375	4.799	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)c1cccc(C(C)(C)C)c1	691656716	XZJOAEAVSKINFW-XEZPLFJOSA-N	247.426	4.666	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC1CC2(CCC2)C1	691879655	FDDSLNHZQOPZLB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)C(C)(C)CC)CC1	695098682	MPXFTDQGLPWWJK-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC(C)=CCC[C@@H](O)C[C@H](C)CC(C)(C)C	697561646	BTBFCPWYKGGVDI-UONOGXRCSA-N	226.404	4.556	0	10	BJAE	
CCCN[C@@H](CCC)[C@@]1(C)CC[C@@H](C)C1(C)C	699069623	NMFUUSNEJBJGNP-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)NC[C@]1(C[C@H]2CC=CCC2)CC1(C)C	702202317	AGKKIIKRKJOQDU-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@@H]1C[C@H](C)CC[C@@H]1CNC1CC1	704848382	LNHFNIRWMVGANK-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)CC1CCC1	704930507	FSSPZTBVEGKDFK-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1n1ccc2cc(F)ccc21	704960477	ZJLXWFPFDKJAOM-RISCZKNCSA-N	231.314	4.532	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)c1ccc2sccc2c1	705250985	DDZDQGPADSCLTQ-HNNXBMFYSA-N	244.359	4.520	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)CC(C)(C)C(C)C	713223195	SKYCVAGLENOANC-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CC(C)(C)C(C)C)C1	713230041	QIZJQNUKGFLAAG-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C1(C(C)C)CC1	713260743	DTDGPXUHDRUWFJ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C(=O)CC(C)(C)CC)CC1	713359024	SWDCWCCXNNIXBJ-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)[C@H](NCCCCC1CC1)c1ccccc1	716395963	ATITWIXWSVWTSA-KRWDZBQOSA-N	245.410	4.554	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1csc(C)c1C	718527916	NBLQHFOCFZPNTQ-CQSZACIVSA-N	237.412	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1ccc(Cl)s1	718739306	CQWIFJGQVASHCB-JTQLQIEISA-N	244.787	4.571	0	10	BJAE	
CCCC1(CNC[C@@H]2C(C)=CCC[C@@H]2C)CCC1	1474068984	FXXOKOWATGXBQF-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC(C)CCN1C[C@H](C)CC[C@H]1c1ccccc1	1643044345	GVOAGOBWUDQIQQ-WBVHZDCISA-N	245.410	4.506	0	10	BJAE	
CC(C)[C@@H](C)S[C@H](C)c1cc(F)ccc1F	1656320966	BXXBILFZOHXTAN-NXEZZACHSA-N	244.350	4.804	0	10	BJAE	
Cc1ccc(O[C@H](C)[C@H](C)C(C)C)c(Cl)c1	1901681978	JPZREGJXGOXMTP-VXGBXAGGSA-N	240.774	4.708	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CCC)CNC(C)C	1905367890	CBGNCQDZMKZKMX-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H](C)CC(C)(C)C	1905441675	AJMQJBITDDQBFK-IHRRRGAJSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](O)CC[C@@H]1C[C@H]1C1CCCCC1	1910769939	VYRXICYHICAZHM-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@@H](CC(C)(C)C1CC1)NCCC	1911889896	WSDRWHXSMMPJHX-INIZCTEOSA-N	249.442	4.703	0	10	BJAE	
Cc1ccccc1NC1CC2(CCCCC2)C1	1912690662	GPNJHGRAIWXEEP-UHFFFAOYSA-N	229.367	4.520	0	10	BJAE	
CC[C@H](C)C[C@H]1CCCCCCCC[C@H]1NC	1913391262	JHTJCZYUEVEGCV-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@]1(O)CCC2(CCCCC2)C1	1915853153	WNLFTZHALKOSIJ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC1CC(CNC(C)(C)C)(C[C@H](C)CC)C1	1921204433	XVNMYZBLKGDAML-VQCLRJIVSA-N	239.447	4.617	0	10	BJAE	
CCCC1CC(CN[C@@H]2CCCC23CCCC3)C1	1921235170	WJVIRVRHPAOWQN-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H](c1ccccc1)C(C)C	1921321476	YUHCIHBUTLMMOM-IAGOWNOFSA-N	248.410	4.758	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC[C@@H]1CC1(C)C	1921559061	UFAPHHAFCORNOQ-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCCC12CCC2	1921604340	JRRYTXJCSOBBPY-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNC2CC2)CCCC12CCC2	1921632695	JHCJLOQGJDVIHC-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
Clc1ccc(NC2C[C@H]3CCC[C@H](C2)C3)cc1	1923467585	SWMURARICGKAEH-RYUDHWBXSA-N	249.785	4.721	0	10	BJAE	
C1CCCC(NC2C[C@H]3CCC[C@H](C2)C3)CCC1	1923480304	MCYKXNGGUHUNRU-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)CC[C@](C)(CO)C1CCCCC1	1923892029	AJKKAQCZVJQNRF-MRXNPFEDSA-N	240.431	4.782	0	10	BJAE	
CCCN[C@H](CCC)CC1(C)CCCCC1	1935619480	BOMPTOQPLVRGRJ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CCCCCC(C)C	1936207419	VNOSKSZBGUEWPX-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
CCC[C@@](O)(CC1(C)CCCCC1)C1CCC1	1940402850	HKSGQALHIHQLQE-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CCC[C@@H]2CC2(C)C)C1	1940884491	YGYGONHIEMQSDJ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](C)c2ccc(N)cc2)C1	1940965900	IOMVUEKACYUUMR-NFAWXSAZSA-N	231.383	4.589	0	10	BJAE	
C[C@@H](CCC(C)(C)C1CC1)c1cccc(N)c1	1940980487	QRIWZBWXRQHVCY-LBPRGKRZSA-N	231.383	4.589	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)CCCCCC1CC1	1941578731	FAVQGXKSGTYUJC-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)Nc1ccccc1C1(C)CC1	1944596455	NWQAQFLYAOCIME-ZDUSSCGKSA-N	231.383	4.585	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC1(C)C)C[C@H](C)CCC	1944740557	DHJZGKWIPZRZPE-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC[C@H]1C)C1CCCC1	1944834757	YZVSDBFULNFAIM-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCS[C@H](C)C2)cc1	1946348734	BDIXWLQBZRLLCW-DOMZBBRYSA-N	249.423	4.506	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CC[C@H]2CCCC[C@@H]21	1946371771	YGOVSBAGOTUJBM-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)CC(C)(C)F	1947080174	AKJUJGVBVBGBFO-CYBMUJFWSA-N	245.426	4.709	0	10	BJAE	
CCCCCCC1(N)C[C@@H]2CCCCC[C@H]2C1	1947860751	WSPQREHKAWVUHW-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC[C@@H]1C[C@@H](C)C[C@@H](C)C1)NC	1948423669	TTZXCRROQLCDSW-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C(CC)(CC)CC)C1	1948929518	JUJIDXLCZNUNIE-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](O)CCCC2CCC2)CC1	1950907591	FVJFJNUNXIKOFS-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@H](C)CC(C)C)CC1	1967707631	GQVOHEJZPHDTJL-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(NCc2cscc2F)c1	1968407575	DUOZABLFPFDLEK-UHFFFAOYSA-N	249.354	4.623	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCC[C@@H](CC)C2)C1	1970280437	IOCVNUNSJZWGQV-YHNBSYBMSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC1CCC2(CC1)CC2	1970868846	WPVFSGLUVAKRAY-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](CNc2ccc(C3(C)CC3)cc2)C1	1973403366	IETOABFBMFYXOS-KGLIPLIRSA-N	243.394	4.586	0	10	BJAE	
CCCC[C@](CC)(CC=CCl)CNC(C)C	1978650335	ILUUJVZDMALINQ-CQSZACIVSA-N	245.838	4.714	0	10	BJAE	
CCCCCC1CC(Nc2cscc2C)C1	1984690902	RGFUGLVOACFIJS-UHFFFAOYSA-N	237.412	4.827	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)C(C)(C)CC	1986938050	LVQGVWSVURUYSL-ZIAGYGMSSA-N	227.436	4.616	0	10	BJAE	
CC[C@@H](Nc1cc(Cl)c(F)cc1C)C(C)C	1995047053	DAFYLLUZYAFQJD-GFCCVEGCSA-N	243.753	4.634	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1sccc1C	1995253077	CQBMWKODVCNVEE-YPMHNXCESA-N	240.412	4.696	0	10	BJAE	
C1=CCC(Nc2ccccc2-c2cccs2)C1	1996352529	OWQVXJNYHPQVNP-UHFFFAOYSA-N	241.359	4.546	0	10	BJAE	
CC1(C)CCC([C@](C)(N)CC2CCCC2)CC1	1996595755	YIIUGRRVDUIZGU-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](NCC)[C@@H]1CCC[C@@H](CC)CC1	1997106209	SDTGBDBXPORFOK-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H]1C=CCCC1	1998376641	FFMPGTSZRFAEBY-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCCN[C@H]1CC[C@H]1CC(C)C	1998746433	SZKFJCRQTYZMMR-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@H]2CCC=CCCC2)C1	1999984156	VDXJBFWRJKVOMQ-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
Cc1cccc(OC[C@@H]2CCC=CCCC2)c1	1999985573	KQFKUSNIRBOFQC-OAHLLOKOSA-N	230.351	4.510	0	10	BJAE	
Cc1csc([C@@H](N)C[C@H]2CCC=CCCC2)c1	1999994152	RLPZONUGQOZOFM-KBPBESRZSA-N	249.423	4.583	0	10	BJAE	
CCC1(C)CC(C(=O)[C@@H]2CCCC(C)(C)C2)C1	2000108347	YREZFLSKJWUORQ-VEAWUBTESA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2000176549	PGFQQIAVVITHKS-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@H](C)[C@@H](C)CC	2000519385	CFIZUVHEZDTZSG-ARFHVFGLSA-N	241.463	4.865	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C[C@H]1CCC12CCC2	2001859833	NGMPYAHIECNJJY-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002203132	ZSTPRLGLWOUJLF-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)[C@H]1CCCC(C)(C)C1	2002981772	JCIFEMKZYCVXOC-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCC[C@]1(CNCC(C)C)CCCC(C)(C)C1	2002983461	MYERRVPAIVMAMZ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)CCCC2(C)CC2)C1	2003019332	WYRNARPMSHERRY-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](NC2CCCCCCCC2)[C@@H]1C	2003098893	IMMACNMUANGAQU-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CC[C@H](NC1CCCCCCCC1)[C@H]1C[C@H]1C	2003101808	VTYPFOFPWVPPCA-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1CCCCCCC[C@H]1N	2003106466	RJLZWLONIJOBBI-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCC1(C)CCC(O)(CC2CCCCC2)CC1	2004339495	PKBDFSUCORCBSD-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCNCC1(C)CCCCCCC1	2004941979	NOOLTUZPOIWCOP-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C=CC[C@@H](CC)C1	2006634864	JAVFQALNXYHKQV-ARFHVFGLSA-N	238.415	4.700	0	10	BJAE	
CCC1CC(C[C@]2(O)CCCCC[C@H]2CC)C1	2007756982	PPHYQPIMJGEVQJ-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)CC(C)(C)CC	2007948339	UDOBKRHLXHPSNR-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(O)CC(CC)(CC)C2)C1	2009299329	OYEWSUYFCJEPST-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCC1(CN)CCC(CCC)CC1	2009616413	IWFRUZWQTGSJCV-UHFFFAOYSA-N	237.431	4.668	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1CCC(C)CC1	2009636237	VGRFOUBZYBXQKY-HBSNNGBZSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC([C@H](CC(C)C)NCCC)C1	2009804482	MAQYZMKCMZDHLT-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@](C)(O)C1=CC[C@H](C(C)(C)C)CC1	2010721636	LYRRFHHZMNARNI-XJKSGUPXSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CC1)C(CC)(CC)CC	2011186120	HPPIEVHZPMUYGV-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H](O)C[C@H](CCC2CCCCC2)C1	2012049215	BRYHUEQTXMNDGT-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@H]1CCC2(CC2)C1	2013266966	MLFMRJOTALWDNV-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@H]1CC[C@H](CC)CC1	2017476825	BIXIVCCGCYVHSL-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(O)CCCC[C@H]2C)CC1	2017653382	RWEHYHDOSVXNJY-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C[C@@H](C)C(C)C)CC1	2017658616	OOUXEIMWNXFOQM-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)[C@@H](C)CC(C)C)CC1	2017663367	SAUOKXQTZRALHP-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C)[C@H](C)CC1CCC(CC)CC1	2017721741	LFYKEILZIUSWNY-QVOMUQBLSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@](C)(N)CC2CC2)CC1	2017728072	HFDAENGUKLQCCW-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@H](C)[C@H](N)C(C)C)CC1	2017732975	GKPCVLKKWWODIP-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@](C)(N)[C@H]2CCC[C@H](C)C2)CC1	2018922601	AKCVVXVIPKSYOQ-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CN1CCCC[C@H](CC)C1	2019188202	GYMPQUDZBMNDLR-HOTGVXAUSA-N	239.447	4.715	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H]1CCCC1(C)C	2021078779	DUXDDIRAVWQHOC-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2022418279	VGFNNFHQKRKJDY-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H]1C[C@H]1C(C)(C)C	2022477497	LJAXXARSORYQJZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CCC[C@H]1CC1(C)C	2023319959	RWBUYRBNJUIOQX-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC(N)(CC)CC1CC(C)(C)CC(C)(C)C1	2024100462	CQKLYLAYNHHGJR-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(O)CCCC2(C)C)C1	2024128563	NPDUPNCZGLGPPR-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@H](CC1CC(CC)C1)NCC	2025427142	NBIYWQCJPSFLLW-KNAJXHNTSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)C1(C)CCCCC1	2028898192	SJTYTJNBVHYDHO-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CCNc1ccc2ccccc2c1)C1CC1	2032227129	YCNZFKDGJLEIGO-CYBMUJFWSA-N	239.362	4.688	0	10	BJAE	
CC1(CNC2(C3CCCCC3)CCC2)CCCC1	2033057951	AADXIWSNYRYJEW-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N1CCCC2(CCCCC2)C1	2033450815	MTTASUCNRSFIHZ-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CC[C@H]3CCCC[C@H]32)C1	2034255053	AHQMBCSQISRQGA-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
C1=C[C@@H](CNc2ccc(C3CCC3)cc2)CCC1	2035596863	FBRLGCFCBZWMHX-CQSZACIVSA-N	241.378	4.722	0	10	BJAE	
C1=CCC(CCNC2CCCCCCCCC2)C1	2035888029	RNQKTEQCFVVFJZ-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
Cc1ccccc1N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	2036670047	YTXYRYOCMIMIKK-ZMSDIMECSA-N	243.394	4.766	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@@H]2C=CCCCC2)C1	2037272908	IHIKHMUJJVMKCA-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
C1CCCC(CN[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2038554320	WCCREMRCADGFDA-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CC1CC(C)(CNc2ccc(C(C)(C)C)cc2)C1	2038871590	BZCVWGJLFXPWJZ-UHFFFAOYSA-N	245.410	4.832	0	10	BJAE	
CC1CCC(C[C@@]2(CN)CC23CCCCC3)CC1	2039000771	VECSYNDYIIZCNP-DQPZFDDXSA-N	249.442	4.502	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H](C1CCCCC1)C1CC1	2040315483	FGPBHGSCVSSKSQ-DYVFJYSZSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C1=CCCC1)[C@H]1CCC[C@H](CC)CC1	2041380779	VIZISEXCMMUCTF-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)C1(C)CC=CC1	2042015684	CJXNIDXDYHWABA-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(N)CCC[C@H](C3CC3)C2)C1	2045400550	NKRYUZHBPANNCP-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(NC[C@@H]2CCC[C@H]3C[C@@H]32)CCC1	2049669073	GNVGSOZJHADZIY-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)C[C@H]2CCCC3(CC3)C2)C1	2049846372	SDHDEKOLFVBWRT-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)[C@@]2(C)C=CCC2)CC1	2050007777	FXCVYKFQFKEVLB-KVULBXGLSA-N	248.410	4.764	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CC[C@H]3CCC[C@H]32)CC1	2051599292	NMLBMRZKSPWDHU-OWUKFGMTSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](c1ccoc1)C1(C)CCCCCCC1	2052474520	AUVFCIIGHJGVEP-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CCC1(C[C@@H](N)[C@@H]2CCCCC23CCC3)CCC1	2053411247	IYVAUHZUCCHAFG-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@H]2C=CCCC2(C)C)CC(C)(C)C1	2055533972	YEEKJABDTCAVAR-KFWWJZLASA-N	249.442	4.536	0	10	BJAE	
CC1(CN[C@H]2C=CCCC2(C)C)CCCCCC1	2055535858	KZIKRKMJOLAJAN-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@@H]2C=C(C)CCC2)CC1	2055552306	NTVZXQGJQCVRJW-VXLLPVPCSA-N	249.442	4.680	0	10	BJAE	
CC1=CCCC[C@@H]1Nc1ccc2ccccc2c1	2055674536	QQFNSBRKBSMIRE-KRWDZBQOSA-N	237.346	4.751	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CCC1CCCC1	2056874845	ANKOZUPSRJLMTE-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@@H]1CC(C)=C[C@@H](C)C1	2059173256	QXSYTKSUGIKYOL-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(N[C@H](C)c2cc(C)cc(C)c2)C1	2059491605	BSKWEVMLUASHJN-HPUBIQBYSA-N	245.410	4.533	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C[C@]12CCC[C@@H]1C2	2061616511	JXINTRNANTXECP-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@]1(C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCCN1	2063477738	UHICPXFSIVUMSG-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CC[C@](CNC1CC1)(C[C@@H]1CC=CCC1)C(C)C	2064490449	ZVTUOBDMXPUUMV-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@@H]3CC[C@@H]3C2)CCCCCC1	2068770784	FGJXYNOSSKKVKY-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@@H]2C2CCC2)cc1	2071785831	KBYWPTYIGALVRU-IAGOWNOFSA-N	243.394	4.630	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@@H](O)c2ccccc2)CC1	2072786091	OGIMKDMTSOFAEG-BFYDXBDKSA-N	246.394	4.717	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](C)CC1)[C@@H]1CC=CCC1	2072793477	KHXDCVWULXSXNW-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@H]2CC23CCCC3)CC1	2072794179	RCBYKCHWFBPQEC-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC2(CNC(C)(C)C)CC=CC2)CC1	2074627304	SWJFTDVGIBFWOD-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC(N(C)[C@@H]2CCC23CCCCC3)C1	2075013791	XNJSWKKQMABBAR-UYSNPLJNSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1CCC[C@H]1CNc1ccccc1C1CCC1	2077263566	YXSZDYQMIYXLPN-ZFWWWQNUSA-N	243.394	4.802	0	10	BJAE	
CCN(C[C@H]1C=CCCCC1)[C@@H]1CCCC1(C)C	2078715884	CWFOYXQYBILPMX-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@H]1C[C@@H]1C1CC1	2079339151	YVERIQDRDVEQSS-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H]1C[C@@H]1C1CCCCC1	2079435844	QXNSTNNWPZMQHV-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)n1nc(C2CC2)c(C(C)C)c1Cl	2079732326	ZUDPICRWIBFUSK-VIFPVBQESA-N	240.778	4.508	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)[C@H]2CCC3(CC3)C2)C1	2082975793	LTAAKIWBJIUTBE-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CNC3(CCCC3)C2)C1	2082977264	XUVNRXRRKWNAGP-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(CN)CCCC23CC3)C1	2082991647	SGIYXAVQVXVLPN-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](C)[C@H](N)CCC1CC2(C1)CC1(CCC1)C2	2083613595	OHTAPQXTOCZGSK-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC(=O)CC1(C)CC(C)(C)C1	2211655618	GGTMFXSXPXLLGY-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC1(C)C[C@H]1[C@](C)(O)CCCCCCC1CC1	2213575375	FPYGXWRKRZSNKL-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
N[C@H](CC1=CCCCCCC1)C1CCCCC1	2214768638	UCWJGJCKGFNCPK-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC[C@@H]1C[C@@H]1CC	2215236387	JIZIMIPBUKKOCZ-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)[C@H](O)CCCCCCCC1CC1	2216860480	AXWMBKKKQQVPOM-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CC(C)(C)C)C1CCCC1	2217125365	OTCZEXAARCPJPS-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CN2CCC[C@H](CC=C(C)C)C2)CC1	2218175438	RUOQLUIRYLZJER-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
C[C@H]1CC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1=O	2218378055	NHEUBWVQNRLYMM-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(CC([C@H](N)CCCCC3CC3)C2)C1	2220041653	QOTRWTRRUULMLM-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC1(NCC(C)(C)C2CCCC2)CC2(CCC2)C1	2220975861	PGKYJCBPKZXIMW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(N)CCCC23CCCC3)C1	2221028109	MWTDYVXEYASWJX-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)[C@@]1(CNC2CCC2)CCCC12CCC2	2223541492	IYNNZOQWSZMSNS-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1ccc2occc2c1	2224191411	SJXZMOAETRZJEB-BLLLJJGKSA-N	246.350	4.539	0	10	BJAE	
C[C@H]1C[C@H]1CCCCOc1ccccc1Cl	2243041092	XBNNTVGXBQQVST-NWDGAFQWSA-N	238.758	4.545	0	10	BJAE	
CC1CC(C)(C[C@@H](N)C[C@@H](C)CC(C)(C)C)C1	2246584294	ISTRHYREDASDGU-RXFTYZNJSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC[C@@H]2CCC[C@H](C)C2)N1	2246688790	VRODQNXOVCTJKI-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCCC1(NCC[C@@H]2CCC[C@@H](C)C2)CCC1	2246695882	VRJUXVBEGHZNAL-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)NCC1CC2(CCCC2)C1	2246789765	NRVIFZJXXXIUQW-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1(NCCCC[C@H]2C[C@H]2C)CCCC1	2247113679	FFPOJWDMDMVMLB-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@@]1(C[C@@H]2CCC2(C)C)CCCCCN1	2247399172	OUQMOGRAGHEDCP-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
Oc1c(CC2=CCCCC2)ccc2sccc12	2247554978	HDCLFDBPQVLSOB-UHFFFAOYSA-N	244.359	4.650	0	10	BJAE	
C[C@@H](C(=O)CC[C@@H]1CCCC12CC2)C(C)(C)C	2247644516	ZBOMBZMWITVZOV-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(NCCCCC[C@@H]2C[C@@H]2C)cc1	2248866772	RMYAZBLRQWXFFI-LSDHHAIUSA-N	231.383	4.623	0	10	BJAE	
Cc1cc(N[C@@H]2C=CCCCC2)cc(C)c1C	2249500491	HPVZRMYXBXJXRZ-OAHLLOKOSA-N	229.367	4.523	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CC(C)(C)CCC1(C)C	2251664024	GFFSZTWYSGSGDF-FYCOFBDGSA-N	237.431	4.667	0	10	BJAE	
CC(C)=CCC[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251720526	QJHSCETXZPYCPU-ZIAGYGMSSA-N	238.415	4.556	0	10	BJAE	
CCC1([C@H](CC2CC3(CCCC3)C2)NC)CCC1	2254057969	IJECLXRKQLLYOQ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CC2(CCCC2)C1)C1(C)CC1	2254113162	MQDFWSSATRVMFO-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NCC1(C[C@@H]2CCC2(C)C)CC=CC1	2255018213	YYUSHBBNTLWVKB-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@](N)(C[C@H]1CCC12CCC2)C1CC1	2255020157	XKQBYJNPMFDFDK-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C1(CC)CCC1	2255093551	GNMJWLYQTYBXNH-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCCC1(NCC[C@H]2CCCC23CC3)CCCC1	2255290947	KXFUPSYJNYMTLH-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCc1ccc([C@H](N)CCCC2CCC2)cc1	2256298598	SYOFEJUBXVTEDO-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(N)[C@H]2CC23CCC3)CC1	2256490428	RTXJTIKHIFSJRM-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1(CNC2CC2)CCC1	2257292060	NBWTTWZOVNGGBF-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CNc1cccc(C(C)(C)C)c1	2257904796	DCFYGLZVBYJNFR-CZUORRHYSA-N	245.410	4.688	0	10	BJAE	
CC1CC([C@H](C)Nc2cc(C3CC3)ccc2F)C1	2259127116	PVERHWXWSSBSNC-CVZZAPKMSA-N	247.357	4.550	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(O)CCCC(C)C	2300471506	JONWUBBUTVRPSE-OWCLPIDISA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCC(=O)C1CC2(C1)CC2(C)C	2300675017	AMJKXRXZLKDFIM-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](NC)[C@@H](C)CC=C(C)CCCC(C)C	2300926808	PCXZFHBSOLJOOD-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CC[C@@H](C)CCNc1cc(F)ccc1C(C)C	2301921957	UEHSHASQJQRDEZ-GFCCVEGCSA-N	237.362	4.797	0	10	BJAE	
CC(C)CCCc1ccc([C@@H]2CC2(F)F)cc1	2302224199	CIMLCPARBONGDG-AWEZNQCLSA-N	238.321	4.788	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CCCC1=CCCCC1	2302361136	JCVWPCNMLFGKBU-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)C(C)=C(C)C	2302607671	APUCYIVGTVBVAK-FVQBIDKESA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(O)CCCCC2(C)C)C1	2302720774	HKAOBKDTWWNIMY-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1CC[C@H]1C(C)(C)C	2303474926	IOCZTVQGBPLPAB-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC[C@@H]2C[C@H]2CC)CC1	2303571885	SDXBLHAIYJTCLA-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCCC[C@H]1CNC	2307825562	CGNGGXBKPZVRPD-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CNC)C1CCCCC1	2307835473	QTZXRJPKHRJDBN-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CCC[C@@H](CC)C1	2307838075	MXXDTAKGXWODFB-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CCCC[C@H]1CC	2307880609	WYPUAUSBKOXPHH-FZKCQIBNSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)C1CC(C)(CC)C1	2307904682	VURWUJOEVVXYPM-UIDBIOKJSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC[C@@H]2C[C@H]2C2CC2)CC1	2310179484	NYOCOGJBBSPGNG-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@]23CCC[C@@H]2C3)CC1	2310886070	ZEDRZLHFIVMTFJ-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCCCN1CC1CC2(CCCC2)C1	2313615404	NGAQJJKDNOCSDZ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CCCC12CC2	2315890084	YLFYCCOJCQHSLU-INIZCTEOSA-N	243.394	4.863	0	10	BJAE	
CCC[C@@H]1C[C@@H]1Cn1c(C)cc2cc(F)ccc21	2317530723	WHEFVXADDMTWFT-TZMCWYRMSA-N	245.341	4.525	0	10	BJAE	
Cc1cc2ncn([C@@H](C)[C@H](C)C(C)C)c2cc1C	2317828769	UOAFJXSGRSNYKQ-KGLIPLIRSA-N	244.382	4.506	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc2ncoc2c1	2318044480	UXUBVLYMSGESEU-GFCCVEGCSA-N	246.354	4.599	0	10	BJAE	
CC[C@H](C)C(=O)[C@H](c1ccccc1)C1CCCC1	2319603520	QVKVZCCVABYJOU-XJKSGUPXSA-N	244.378	4.576	0	10	BJAE	
CC1=C(C)C[C@H](NC2CCC(C(C)C)CC2)CC1	2320237222	HVQVLYJDOPFLGE-OFLPRAFFSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@@H]1CCC(C)=C(C)C1	2320238065	QNWCHUAJNSCSMA-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC2(N)CCCCCCC2)CC1	2320396098	YMVJGJZVPUXLBI-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1CC1(C)C	2320396840	FQLRMZPZBJVJMD-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCC(C)(C)C2)cc1C	2321600499	PLBRIDQSLYJGRO-HNNXBMFYSA-N	245.410	4.932	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@@H](C)c2ccccc2)CC(C)(C)C1	21013096	WIVXLGBRRYXYGB-IJEWVQPXSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H](C)c1ccccc1C	21809916	NEHUPICNQOKENP-JKSUJKDBSA-N	247.426	4.862	0	10	BJAE	
CCc1ccc([C@@H](N)C[C@@H](C)CC(C)(C)C)cc1	34960844	OUFWOGORWKOHLE-CJNGLKHVSA-N	247.426	4.711	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cccc(COC)c1	36918131	GFKPCIHNJLLWOS-CQSZACIVSA-N	249.398	4.604	0	10	BJAE	
Cc1cccc([C@H](C)NC(C)(C)CC(C)(C)C)c1	37312547	BIAMQTGYWYQXNZ-AWEZNQCLSA-N	247.426	4.860	0	10	BJAE	
CCN[C@@H](CC1CCCC1)c1ccc(C)c(C)c1	37864754	UWGYAJYZKISGGQ-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccc(C)cc1F	70977726	JUFZEBYTCVEXCK-GXTWGEPZSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H](C)c1ccccc1NC(=O)OC(C)(C)C	75290431	KDCRXMUMZZFOEM-LLVKDONJSA-N	249.354	4.547	0	10	BJAE	
Cc1cc(O)ccc1NC(CC(C)C)CC(C)C	80359770	XQKVTZYQBKGMCU-UHFFFAOYSA-N	249.398	4.573	0	10	BJAE	
Cc1cc(C(C)(C)C)cc(C)c1[C@H](N)CC(C)C	82612294	ZCMDUJYNUNQMHW-OAHLLOKOSA-N	247.426	4.647	0	10	BJAE	
CC(C)(C)CC[C@@]1(O)CCCC(C)(C)CC1	83520555	MYOHFBIYQALDNK-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@](O)(c1ccccc1)C1CCC(C)CC1	85077277	VPEWDOMOJVLICZ-BDVYOWHSSA-N	246.394	4.501	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1ccc(Cl)cc1	86322626	BZYRWSFYAXCYMX-CQSZACIVSA-N	239.790	4.569	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Sc1cccc(C=O)c1	90870217	ZTINHZJFPFFTRJ-HIFRSBDPSA-N	248.391	4.560	0	10	BJAE	
CCC[C@H](NC1C(C)(C)C1(C)C)c1ccccc1	92815900	AAAVSNTVZFQUOZ-AWEZNQCLSA-N	245.410	4.552	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)[C@@H]1C[C@H]2C=C[C@H]1C2	102899142	KRWNTAPAEYSNFI-XAJHFOFHSA-N	249.442	4.536	0	10	BJAE	
CC(C)(C)c1cc(Cl)ccc1C(F)(F)F	114622546	VVNNSHWYDRINSP-UHFFFAOYSA-N	236.664	4.656	0	10	BJAE	
CCCCCNc1cc(Cl)c(C)cc1Cl	132046922	URZPXJJXDSSBST-UHFFFAOYSA-N	246.181	4.904	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1sc(C)cc1C	132927684	MMIZWEDAHWJPBT-CYBMUJFWSA-N	239.428	4.581	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC1CC1)NCCC	149185812	GWAGRPFDYSZVOL-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H](C)C(C)(C)C)C1	166302106	NEPDYYSTPUPELV-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CCC1CCC([C@H](N)C2(CC)CCCC2)CC1	168778512	ZUYATDIDIOJYGX-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC1(C)[C@H]2CCCCCCCCCC[C@@H]2[C@H]1N	225173628	BHBKEEGVZJMMPA-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H]2CCCC2(C)C)cc1	226657877	NELRIFCVIFNSOJ-HOTGVXAUSA-N	246.394	4.670	0	10	BJAE	
CC1CCC(C(=O)[C@H]2CCCCC2(C)C)CC1	226787627	VJBOIONMYJOBID-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(O)C1CCCCC1	229118961	PKGPNEXJZAJEEX-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C(C)C)C2)cc1C	230985997	LUMPAENLBOEISA-JKSUJKDBSA-N	245.410	4.930	0	10	BJAE	
CCC[C@@H](C)c1c[nH]c2c(C)cc(C)cc12	233285311	UHZPZBWXERZETE-LLVKDONJSA-N	215.340	4.688	0	10	BJAE	
CCC[C@H](CC)N[C@@H](c1ccccc1)C(C)(C)C	233347125	YUOKVAVNEFRSCI-HOTGVXAUSA-N	247.426	4.942	0	10	BJAE	
CCCC[C@H](N[C@H]1CCC[C@H]1C)c1ccccc1	251282438	FGTGFQRFCGCLIG-PVAVHDDUSA-N	245.410	4.696	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@H]1CCC[C@@H](C)C1	302523099	PNABLLQHXYTXRD-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(Nc1cccc2ccccc12)C(C)C	302658624	XMTCJJVCYGUAIB-UHFFFAOYSA-N	241.378	4.932	0	10	BJAE	
Cc1cc(N[C@@H](C)CC(C)C)c(Cl)cc1F	304301045	BAZMSDUQCQLCRT-JTQLQIEISA-N	243.753	4.634	0	10	BJAE	
CSc1ccc2sc(C)c(Cl)c2c1	307120662	JDNPULRIFKOHEC-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Cc1cc(C(F)F)cc2sc(Cl)cc12	307193886	HPWQFMCRKPZCNV-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCc1ccc2sc(Cl)c(CC)c2c1	307671278	SMYBCXYGDNAYEE-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1CC[C@@H](C)C[C@H]1C	310264512	DWLWEHWKLJKZOH-KBXIAJHMSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H]1CCCC[C@@H](CC2(C)CCCC2)C1	310503652	IPNDRGBTUUUVIZ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](C[C@@H](C)C1CCCCC1)NC	310537648	BDOGXQOZRQTGTF-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2C=CCCCCC2)cc1	310655660	PNNHHTQMESFHRD-RDJZCZTQSA-N	243.394	4.535	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](C)[C@@H](O)c2ccccc2)C1	310728442	CVCOEZSUJSJFFL-PNBKFKSVSA-N	246.394	4.573	0	10	BJAE	
CCCCCC[C@]1(CNCC)CCC[C@@H](C)C1	317533278	QVZFMJQIJJCYNY-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1)[C@@H](C)[C@@H](C)CC	320160716	XVRZQJHVVXXDSV-ZOBUZTSGSA-N	247.426	4.636	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)CC2CCCCC2)CC1	328316186	CNIVAURCDFNQGT-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCC(C)C)C[C@H](C)C1CCCCC1	380080666	DUCMNQUZCKGRGD-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc([C@@H](O)CCCCCC(C)C)c1C	383534191	NGBFXHOLAMTCSD-KRWDZBQOSA-N	248.410	4.943	0	10	BJAE	
Cc1cc(N)cc(-c2ccc3ccccc3c2C)c1	384681468	GJDOMVCEOZXDTH-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)c1ccoc1C	385260361	YISWVOYXNQKSBE-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C(C)(C)C(C)(C)C	390796287	RURJRVZELVOMME-GFCCVEGCSA-N	227.436	4.602	0	10	BJAE	
CCc1cc(F)c2ccsc2c1C(F)F	396216729	PBXVQAYIBCFXRQ-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
COc1csc2c(C(F)F)c(Cl)ccc12	396287418	DAVPNJOETBBUSE-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCC[C@@H](Nc1cccc(C)c1)[C@H]1CC1(C)C	397631317	OHCVLOMSLSOFRP-HUUCEWRRSA-N	231.383	4.622	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)CCC2CC2)CC1	398102152	IIFLFAAJTYCKCQ-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCCCC1CC1	405947261	CZCDJYQBFVPYRG-UHFFFAOYSA-N	232.367	4.687	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)C1CCCC1	688938854	LSTLBQJEMJJWBY-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
c1ccc(-c2cccc(NCc3ccco3)c2)cc1	689642539	GOGKYWGSXHNLNP-UHFFFAOYSA-N	249.313	4.559	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](C)CC1CCCCC1	689833251	ZBBHUHFYCCAOHR-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](C)CC1CCCCC1	689833293	ZMDRAMUPRNSWSS-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
C[C@H]1CCC[C@H](C)C1Nc1cccc(C2CC2)c1	690076064	NYRWJKSONMAUAX-STQMWFEESA-N	243.394	4.801	0	10	BJAE	
CCCCC[C@@H](C)NCC(C)(C)C(F)(F)CC	691047055	SEHGJXRAQQFLJN-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC1CCC([C@@]2(O)CCCCC[C@@H]2C)CC1	691183050	FWVBWOZPLITEIM-SLTXQBBLSA-N	238.415	4.534	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1CC2CCC1CC2	691752417	QWSIHSXIRKZANN-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)C2CC(C)C2)cc1	691890209	WUBJOLQYSZHMJX-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
CCC(C)(C)CC(=O)CC/C=C\c1ccccc1	697210857	OCNRFYKYXVVACE-WQLSENKSSA-N	244.378	4.875	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CC[C@@H](CC)C1	697759589	OXTUYIPQJOMMOG-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCCCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C	699079246	RNWPZNDYEAIQSF-SWLSCSKDSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cc2cc(C)ccc2o1	701201673	SAJUFQAEPIONHX-OAHLLOKOSA-N	245.366	4.567	0	10	BJAE	
CCC[C@](N)(CC1(C)CCCC1)[C@@H]1CC1(C)C	704471181	CBJFRRATKMUGLK-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC([C@@](C)(N)C2CCCCC2)CC1	704863569	RBGPMFBJZJABMD-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
C[C@H](N[C@@H](C)[C@@]12CCCC[C@@H]1C2)C1CCCCC1	709157623	WFQZIUINYHDGBN-DIECFANBSA-N	249.442	4.514	0	10	BJAE	
CCC1(N[C@H](C)[C@]23CCCC[C@H]2C3)CCCCC1	709249352	RWGTZSCFJHZJRN-HLLBOEOZSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(N[C@H]2CCCc3ccccc32)cs1	710705755	NSLZXZNSDSVOQJ-HNNXBMFYSA-N	243.375	4.546	0	10	BJAE	
CCc1ccc(C(=O)C[C@H](CC)C(C)(C)C)cc1	711096469	QGDQFFAUCONRHL-HNNXBMFYSA-N	246.394	4.894	0	10	BJAE	
C[C@@H](CC(=O)C1CCC(C)(C)CC1)C(C)(C)C	711198550	JXLWPVGEPBBECI-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC(C)(C)C(C)C)CC1	713147217	GDQQXVMMQFKURB-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cscc1C(F)F	717197579	IGTMPENDIGWHKI-MRVPVSSYSA-N	246.322	4.695	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1CCCC(C)(C)CC1	718516444	AQJGTLQKCNEGKC-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC[C@H]1CC=CCC1	720957564	VHMQZYYHPJKUGX-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC(C)(C)C(F)(F)CC	721747993	FRTIKRPNKRTMSG-NSHDSACASA-N	249.389	4.602	0	10	BJAE	
CCC(C)(CC)C(=O)c1cccc(C(C)C)c1	721754961	NSLXEXGHJULQEB-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCC3(CC3)C2)c1	723569387	RDEOVUWVRZCTFW-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
C1CCCC(N[C@@H](C2CCCCC2)C2CC2)CC1	723984712	YOOAYPIJGYEUQF-KRWDZBQOSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(CCC2CC=CC2)ccc1Cl	757161914	YUOCBZBSRKBRGL-UHFFFAOYSA-N	220.743	4.547	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)CCC=C(C)C)C1	1205889453	HGRCIRQIODRCFN-ARFHVFGLSA-N	237.431	4.680	0	10	BJAE	
CC[C@H](C)[C@H](C)NCc1cccc(C(C)(C)C)c1	1307624836	JPTDFESZQLNDHE-KBPBESRZSA-N	247.426	4.508	0	10	BJAE	
CC[C@H](C)CSCc1cc2ccccc2o1	1473004567	AZTMPVYAAOICDB-NSHDSACASA-N	234.364	4.712	0	10	BJAE	
CC[C@H](NCC1(C2CCC2)CC1)C1CCCCC1	1875412000	FFQBXTCXUAWIKL-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@H](C)CC(C)(C)C	1900705787	WRPJFXXGYCHSMC-TZMCWYRMSA-N	228.420	4.636	0	10	BJAE	
CC(C)CCCc1ccc(C2(C)CC2)cc1	1901885192	RVJAMAVRJDJSSS-UHFFFAOYSA-N	216.368	4.717	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)CCCCC1CC1	1902166120	RJTQCWDOXNGNEB-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1scc(C)c1C	1905430419	AYXBENMGAGJNIX-STQMWFEESA-N	239.428	4.581	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)CCCC(C)(C)CC1	1908569787	GEQYLWRBRUMIKQ-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC=CC[C@@H](C)c1cc(C)c(C)cc1F	1912005347	XMVFHSOSLZGGCO-LLVKDONJSA-N	220.331	4.902	0	10	BJAE	
CCC[C@@H](C)CCN[C@H]1CCC2(CCCC2)C1	1916403262	WJFWIBBYLXLZKT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC1(C)CCCC1	1919947389	JKYQNHOXPSDMII-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CCCC(C)(C)C	1919950620	YJOIALVGRNOYMB-DZGCQCFKSA-N	228.420	4.780	0	10	BJAE	
CCCCCC[C@@](C)(O)CCCC1(C)CC1	1919972630	IQWHJCIXLLIDGU-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
C[C@H](C(=O)[C@H]1CCC[C@@H](C)C1)C1CCCCC1	1924097958	DTOWKJYTJBMAHH-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
FC1(F)CC[C@@H](CC[C@H]2C=CCCCC2)C1	1925817781	UIJSGQCNLWXHBH-QWHCGFSZSA-N	228.326	4.948	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1CCCC1(C)C	1925915868	RPAIEAMDVGEKAJ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@H](N)C[C@@H]2C=CCCCC2)C1	1925916628	VHOBSOGSXFFELE-ALYAQQCSSA-N	249.442	4.523	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1sccc1Cl	1927979664	DALQPBUHYTYPGL-GXSJLCMTSA-N	246.803	4.507	0	10	BJAE	
CC[C@@H](C(=O)C[C@@H](C)CC(C)(C)C)C(C)C	1936211106	NZRGRXURIWEKOP-CHWSQXEVSA-N	226.404	4.700	0	10	BJAE	
Clc1ccc(NCCCCCC2CC2)cc1	1936413004	OPKPEWBLPVQLCS-UHFFFAOYSA-N	237.774	4.722	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CCC1=CCCC1	1936715148	AFKUUNKXDNXPLF-SOUVJXGZSA-N	218.384	4.949	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cccc(Cl)c1C	1939407815	QPVHRIXMZARGKW-GFCCVEGCSA-N	237.774	4.639	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)CCC1CCCC1	1940873316	BPECDSIXHGCMJH-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC[C@@H](C)c1cccc(N)c1	1940980109	PJMJDOBBZTZLAK-CQSZACIVSA-N	233.399	4.979	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H]3CC[C@H]32)cc1Cl	1941018572	DTFFTJHDPUMLLP-NJZAAPMLSA-N	249.785	4.503	0	10	BJAE	
CC(C)CC(=O)CC1CCC(C(C)(C)C)CC1	1941154655	ILJUFOLDUOMVGT-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CC1(CC)CCC1)NC	1941263971	PYJLSTHDBZTEPQ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(=O)c1ccccc1C(C)C)C(C)C	1941267406	RJKROZJKPAEMCE-ZDUSSCGKSA-N	232.367	4.675	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)c1cccc2ccsc12	1944608817	CIENTKMCMCVWJX-AWEZNQCLSA-N	248.391	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C(C)(C)C1CCCC1	1944786540	WRWQPZLKGOSMQD-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC1(CN)CCCCCCC1	1944820175	PKDYIDSXNSTKMQ-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC[C@@H]1CCC(C)(C)C1	1945590898	HVGFRWYNLOCZHY-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(NC2CC3(CCC3)C2)c1	1946641171	MEYJIKIEIXXXKW-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
CCC(F)(F)CCC(=O)[C@@H]1CCCCC1(C)C	1948000237	FXPNVUVYUMGCPU-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)N[C@H]1CCCC(C)(C)C1	1948326113	JVPWGYAVGIOSDZ-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CCC1(C)CC(CN)(CC2(C)CCCCC2)C1	1948410986	KHCKNBDCHBYRRU-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)C[C@@H]2CCC[C@@H]2C1	1950295442	WSTUYZMPHBARCT-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1(CO)CCC(C)(C)CC1)C(C)(C)C	1950909126	TXJGSGBJAKVWLW-CYBMUJFWSA-N	240.431	4.638	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C2CCCCC2)CC1	1950916584	BJRNJIRIPOBWDK-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@H]1CCC[C@H](C)CC1	1950925251	RMWAEMGWFIBJJS-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](O)CCCC(C)(C)C	1950969908	CJXUGQACGJANRC-RRFJBIMHSA-N	238.415	4.556	0	10	BJAE	
CC(C)=CCc1cc2cc(Cl)ccc2o1	1961399977	SZYRPVDPZVNBNO-UHFFFAOYSA-N	220.699	4.595	0	10	BJAE	
CCC(CC)[C@H](C)NC[C@H]1CCC=CCCC1	1967814797	LCKZUPYCGOFVGN-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(OC[C@@H]2CCCC(C)(C)C2)cc1	1968270191	IUHQEUNISFBGJN-CQSZACIVSA-N	232.367	4.590	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@@H]1CCC2(CCC2)C1	1970869090	YAQONOJZTIKJCB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1NC1CC2(CCCCC2)C1	1972429193	YEYYHQHJINLLOY-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1C[C@@H]1C1CCCC1	1973328498	ZBDLMFJSYSCMHY-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCCC1CC2(CCC2)C1	1973745460	WEPVZLWYJFAGSG-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)C(=O)c1cscc1C(F)F	1976009874	DQOAIHVXUOQVFF-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCCC(C)C	1978423077	KOBACMLBMXIYEL-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H]1CCCCCCCC1=O	1988302830	OLEVOKQQFALXAO-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)CC(=O)CCC1(C(C)(C)C)CCC1	1989452533	ZVJUBSKWHJKANL-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@@H](C)CC(C)(C)C	1989859094	UUYQJOFHGGOGQF-WFASDCNBSA-N	227.436	4.602	0	10	BJAE	
C1=CCC(c2nc(C3CCCCC3)cs2)C1	1995497061	VQKPVNUYCPKKOW-UHFFFAOYSA-N	233.380	4.624	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(O)C12CCC(CC1)C2	1995983514	PCBXPQRSBZTGNS-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
CCCSc1ccccc1NCCC=C(C)C	1996563372	DPKHYUFPPQMNPT-UHFFFAOYSA-N	249.423	4.957	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](CC(C)(C)C)NC)CC1	1997117776	SWRZTCHBZAUMDJ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC[C@@H]1CCC=CCCC1	1999995602	GZZRKYWNOWLKKV-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C[C@@H]1CCC=CCCC1	2000006731	NRPRMELPLGNNTQ-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C2(C)CCCCC2)C1	2000039267	VNCFTZXKDUCPIW-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC(C)(C)C2CC2)C1	2000108107	ZRPSYCKERNEBSL-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CN[C@H]([C@@H](C)CC(C)C)C1(C)CCCCCC1	2000318902	GEZFGDZDTSZBGV-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCNCC(CC)(CC)[C@@H]1CCC[C@@H](C)C1	2000499060	GUSNBFSADZYJRY-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@@H]1CC12CCCCC2	2001222720	ZJOSREIOTOSTFO-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCC(=O)CC1[C@@H]2CCCCC[C@@H]12	2002218066	CCHXDAVZCJSWIG-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C(C)(C)C(C)(C)C	2002505840	ZCQDWCPJUQCNMR-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@](C)(N)C1CCC(C(C)C)CC1	2002926072	QQRBXVJDRXSYDM-BCLQGDPASA-N	239.447	4.602	0	10	BJAE	
CC1CC(C)(CNC2CCCCCCCC2)C1	2003098729	LDGVUFDILGAYQI-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@]1(C)C=CCCC1	2003320944	LFYHRVYNEVKUBI-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
CCC1(C)CCC(O)(C[C@@H]2CCC[C@@H]2C)CC1	2004352479	LQROFIBVGXFKBY-FXQLRMTLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](N)C1(C)CCC2(CC2)CC1	2007689972	PSKRJDUBQCWKSJ-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@H](NC)C1(C)CCC(C)(C)CC1	2007697858	QPWMVFWZYFCOPO-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C1(C)CCC2(CC2)CC1	2007699702	YUBURNRCCNXXRV-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CC[C@H](C)CC[C@@H]1NCC	2009407466	NIPSUKWDCYPOAS-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H](NC)C1(C)CCC(C)CC1	2009633843	CBCVLPBUXPYBBF-SYBWXYSTSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](N)C1=CC[C@@H](C(C)C)CC1	2010768681	KNKVKXFHXMGFPG-HIFRSBDPSA-N	237.431	4.523	0	10	BJAE	
C[C@@H](Nc1ccc(C(C)(F)F)cc1)C(C)(C)C	2012749487	PGVSHIZAZPNDOI-SNVBAGLBSA-N	241.325	4.645	0	10	BJAE	
CCC(CC)N(CC)CC1(C(C)(C)C)CCC1	2017124117	QZQNUYMWKHLWQM-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCNC[C@]1(CC(C)=C(C)C)CC[C@@H](C)C1	2017467392	WKPOHMQYTVQYQE-GDBMZVCRSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@H]1CC[C@H](CC)CC1	2017723391	JKBOUWDSEBAOLR-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@](C)(NCCCCCC2CC2)C1	2017911687	GNCAKBGBZIJQTM-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@](N)(CC)CC(C(C)C)C(C)C	2018134768	RPOGMANICKYXMH-INIZCTEOSA-N	241.463	4.993	0	10	BJAE	
CCCCC[C@@](N)(CC)C1CC(C(C)(C)C)C1	2018136519	MBJWGPPBPUVBID-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CCC1(C[C@@](N)(CC)CC2CCCCC2)CC1	2019002647	UBHLDTNOZOPWFN-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1CCCN(CCCCCC(C)C)C1	2019342717	QQWYBTMFOPQWTC-MRXNPFEDSA-N	239.447	4.715	0	10	BJAE	
CCC1CCC(CN(C)[C@H](C)[C@@H](C)CC)CC1	2019387589	WDQVKNDZFMEHPK-QRNKSROTSA-N	239.447	4.569	0	10	BJAE	
CCCCCC1CC(N(C)[C@@H](C)[C@@H](C)CC)C1	2019388493	GUZYAMYGXFYDKG-FXQLRMTLSA-N	239.447	4.712	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CCC1=CCCCC1	2019782773	YPEFNEKROPWFJQ-CVEARBPZSA-N	236.399	4.598	0	10	BJAE	
ClC1(CNc2ccccc2C2CCC2)CCC1	2021026716	BWCHPVLRNRQALS-UHFFFAOYSA-N	249.785	4.528	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CCC[C@H]2CCCC[C@H]21	2022993471	NATBAGSFZHQQAL-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC1(C)CCCC1	2026145546	QEMNFZNLBIXAHM-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CC1(Cc2ccc3c(c2)CCCN3)CCCCC1	2027309748	TXSGHERESFBMQT-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C[C@@H]1CC=CCC1	2027731821	HPLGFWSSCXEIQW-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCc1cccc(C(=O)[C@H](CCC)C(C)C)c1	2028253854	AEDZIUIYNGXERU-MRXNPFEDSA-N	246.394	4.894	0	10	BJAE	
CN[C@@H](c1cccc(C)c1)[C@@H](CC(C)C)C(C)C	2028254561	IAUVPKPUDCSBSZ-IRXDYDNUSA-N	247.426	4.574	0	10	BJAE	
CCCC[C@H](N[C@@H]1C[C@@H]1C(C)C)c1ccccc1	2028463734	AKJCWRJKESBZKN-IXDOHACOSA-N	245.410	4.552	0	10	BJAE	
C[C@@H](C[C@H](O)CCCC1CCC1)c1ccccc1	2028494636	BHYLWXIOQSDUIK-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
CCCCC[C@H](NC)c1cccc(C2(C)CC2)c1	2028556363	CKRLPZIIJJRSME-INIZCTEOSA-N	245.410	4.579	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2C[C@@H]3CCCC[C@H]32)C1	2028786786	MXUDYFUJJCPCDU-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N)c(F)c(-c2ccc(C(C)C)cc2)c1	2028925446	ZSBMRGVWUWZXQO-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CC1(CNC[C@@]2(C)C=CCCC2)CCCCCC1	2030352312	UAVXRVKWSFVARV-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)[C@@H]1CC12CCC2	2032133782	FMLDPLKTYLMUEY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1CCC[C@@H]1C1CC1	2032697499	FZRKWWMDUZOEKD-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CCC1	2033069904	TYYKPQQGHDUBBG-YQQAZPJKSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H]1CCC(C)(C)C1	2033392902	CGAIFNKCIOHVHE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C1CCC(C2CC(NCCC3CCCC3)C2)CC1	2033832099	ZWMKSCDLUNZOLU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](N[C@@H]1CCCC2(CCCC2)C1)C1CC1	2034363802	OUTGRMGKMVJTKJ-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@](C)(N)c1cccc(CC(C)C)c1	2037085279	OVHUWMFRMJMGBJ-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
C[C@](N)(CC[C@@H]1C[C@H]1C1CC1)CC1CCCCC1	2037129976	IOJUXDNKPBDTBS-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CCC([C@@]2(N)CCC23CCC3)CC1	2037474353	DXRFVPYJYWIBKY-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2038554176	VBZHIASGPOZZRX-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@H]1CCC2(CC2)C1	2038571043	HHWOWESLPUQOIF-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@H]2CC23CCCCC3)C1	2039011092	DTPVHZZXIHXNKC-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1[C@@H](O)[C@H]1CCCC(C)(C)CC1	2039387197	VSLZKCCNJGNAFY-HOCLYGCPSA-N	246.394	4.635	0	10	BJAE	
CCC1CCC(C2(N)CC3(CC(C)(C)C3)C2)CC1	2039459983	KAORVGJDEIMDBE-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@]1(C)CC=CCC1	2042020154	VAZCVEOFXFKKPQ-IRXDYDNUSA-N	247.426	4.623	0	10	BJAE	
C[C@@H](C[C@@]1(CNC(C)(C)C)CC=CCC1)C1CC1	2042092957	BFDRFRWXSSPHIN-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)CC2=CCCCC2)C1	2043189528	BPCVULOLUYKWSE-UXLLHSPISA-N	249.442	4.824	0	10	BJAE	
CC[C@@H]1CCNCC1=C1CCC(C(C)(C)C)CC1	2045255628	ZMBWJUSBIKWJEI-AFYYWNPRSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(OC[C@@H]2CCC=CCCC2)ccc1F	2045314115	GZPWQXBLHNIJDR-CQSZACIVSA-N	248.341	4.649	0	10	BJAE	
Cc1ccc(F)cc1OC[C@@H]1CCC=CCCC1	2045315784	XNDAJMYZAYKUIY-CQSZACIVSA-N	248.341	4.649	0	10	BJAE	
CCCC1([C@@H](C[C@H]2C=CCCCC2)NC)CCC1	2045718033	DXOZDBRKGYBEOO-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C1=CCCCCC1	2045822833	KGJCYQJSBFXUFT-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@H]1CC12CCCC2	2047060666	ZFOJTPYCZYIYLL-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@H]2CCCCCC[C@@H]21)C1CC1	2047437002	ILZCWJHMOJDSIA-LTIDMASMSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@@H]1CCC12CCC2	2047929419	QPUYGIDADSTYIR-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@@H]1CC(C)=C[C@@H](C)C1	2048875528	XIDAMZXQZMTULS-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C=O)c(C)n1C1CCCCCCCC1	2049642752	ZQOMBSHFRVOBEF-UHFFFAOYSA-N	247.382	4.593	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(N)CC1CCC2(CC1)CC2	2049859528	UAAFTTSSTBXYBW-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCCCC1	2052479516	OJPRDZJLEHMPJQ-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)[C@@H]2CCCCC23CCC3)C1	2053356587	FIKJWRAOVKIZFO-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2CCCC[C@H]2F)cc1	2055250212	NCSYAYVNTVQJHN-HUUCEWRRSA-N	248.341	4.521	0	10	BJAE	
CC=C(C)[C@@H](C[C@H](C)c1ccccc1)NCCC	2056776445	MAVSUAYBVYCXMK-DOTOQJQBSA-N	245.410	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)C1(C2CC2)CCCC1	2057596281	JUSKAHGEEABVBO-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NC[C@@H](F)C2CCCC2)cc1	2058032209	XFNBWEHCDDRCOD-MRXNPFEDSA-N	249.373	4.750	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)C1=CC[C@H](C)CC1	2060926491	RIFNFXKWVCNKGG-GIOUXUJVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)C1CCCCC1	2061089392	SPEAQDXLGHBDRB-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC=C([C@@](C)(N)CC2CCCCC2)CC1	2061122951	SVFORUVXCAUXNF-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H]1CCC[C@H](C)CC1	2061565915	HRIQICCNGXMHNP-BBWFWOEESA-N	249.442	4.692	0	10	BJAE	
CCCc1ccccc1NCC[C@@]12CCC[C@H]1C2	2061570940	GYDVZMVCZJOABT-DOTOQJQBSA-N	243.394	4.631	0	10	BJAE	
CCC1CCC([C@H](N)CC[C@@]23CCC[C@H]2C3)CC1	2061574467	HXXDTDCSFMPZBM-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CCCNCC1(CC[C@@]23CCC[C@H]2C3)CCCC1	2061614440	VDNRQPUONLTTFV-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC1(CC(=O)C2CC(=C3CCC3)C2)CCCCC1	2061731956	YTVCFCLWFDEXKM-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CCCNC[C@](C)(CCC)CC1CC(=C2CC2)C1	2061741191	IHGPFZHIVVRVHL-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063510561	PPQISGLKHFFJNL-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CC12CCC(CC1)C2	2065328209	PNYGBKFMUDHLSB-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CC1([C@](C)(N)CC23CCC(CC2)CC3)CCCC1	2067530922	VHMWTKRUYFILRX-ARWYELJZSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)c1c(C)cccc1C	2068837527	SQMYBJSYCRALRY-CVEARBPZSA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@H]2CC23CCCC3)CCC1	2071919888	PGICPJMOJAMMMO-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=Cc2ccc(N)cc2)CC1	2072821701	NYFSCJVWZNZQKE-SHTZXODSSA-N	243.394	4.889	0	10	BJAE	
CCC1CCC(CC(=O)[C@@]23C=C[C@@H](CC2)C3)CC1	2072881227	GGPHTRUXDCZJMT-NDTCATRNSA-N	246.394	4.518	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccccc1[C@@H](C)O	2073344258	BPMHCRBDUMKWHO-ZIAGYGMSSA-N	249.398	4.511	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@@]23CCCC[C@@H]2C3)CC1	2074024788	KFHNJGWSXJCNRP-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@H](C)C=C1CCNC2(CCCCC2)C1	2074131929	FLJSEJVXZVWAQI-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CN(CC1(C)CC(C)(C)C1)[C@H]1C=CCCCCC1	2074803029	VPGSELWPWHVWFG-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C2CCC3(CC2)CC3)C1	2074893503	UZTMHWPZUIGMKW-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CCCC[C@@H](CC)N(C)Cc1ccc(C)c(C)c1	2074921732	JOGRSYRCPRDJTJ-QGZVFWFLSA-N	247.426	4.704	0	10	BJAE	
CCCCCN(C)Cc1ccc(C(C)(C)C)cc1	2075054968	JHUZLNAVJNQKBP-UHFFFAOYSA-N	247.426	4.606	0	10	BJAE	
CC[C@@H](Nc1ccccc1C1CC1)c1ccco1	2077261943	IRAFBKIBEDFOTE-CQSZACIVSA-N	241.334	4.720	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@H]2C[C@H]2C2CCCC2)CC1	2079486888	PDKAMYUERDBVKI-SDADXPQNSA-N	248.410	4.598	0	10	BJAE	
FC(CNc1ccccc1C1CCC1)=C1CCC1	2081676292	LUPWPMIFXSLSSO-UHFFFAOYSA-N	245.341	4.774	0	10	BJAE	
CC(C)=CCC(=O)C[C@H]1C[C@H]1C1CCCCCC1	2081776355	WGLBSVHEGCMSCH-RDJZCZTQSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC[C@H](CC2(N)C[C@@H]3CCC[C@H]3C2)C1	2082974476	ZTPXCPZIDQKDDC-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC=C=CCCNCC1CC(C)(C)CC(C)(C)C1	2082988674	WIHRJQXRMKMWLG-UHFFFAOYSA-N	249.442	4.550	0	10	BJAE	
CCc1ccc2[nH]c(C3CC4(CCC4)C3)cc2c1	2083315592	RJQXAQSGOUDMRX-UHFFFAOYSA-N	239.362	4.778	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)CC(C)(C)C	2212575811	FYFRERZSUHOQIX-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)c2sc(C)cc2C)C1	2213605301	FERCHIVILPXDRK-TVQRCGJNSA-N	248.391	4.540	0	10	BJAE	
CCCCCC[C@@H](CC1(F)CCC1)NCCC	2215085616	UVFMIHAZXVAXQR-AWEZNQCLSA-N	243.410	4.607	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCN[C@H](C(C)C)C1	2215275313	CVUWHRSQGGKIQS-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCC(F)F)C(C)(C)CCC	2216277449	HFPOZGZWVDMFFG-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCC[C@](O)(CCCCC(F)F)CC1	2216455311	WATCXDAFSCRHAE-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CC(C)=C[C@](C)(N)CCCCCCCC1CC1	2216861163	UCJAKMIAZZHYMN-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@H]1CCC1(C)C	2217154267	SFYZSVNWUDYSFL-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218344454	VNTZPNLEOVRVJW-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(CCCCCCC2CC2)C1	2218725640	MZRXUZAPZIWYIO-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)[C@]12CCC[C@H]1C2	2218727250	QJRPPNTVROEXFZ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@H](c1ccco1)N(C)CCCCCCC1CC1	2218732670	QQUOGALUBIGKEV-CQSZACIVSA-N	249.398	4.633	0	10	BJAE	
CCCC(CCC)[C@H](O)C/C=C/c1ccccc1	2219062014	IMTCSQIUQAUVRZ-MSGBMKDASA-N	246.394	4.667	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](CC2(C)CC3(CCC3)C2)N1	2221029690	BFLBXMRQZWKMGH-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CC1=CC[C@@H](CN(C)[C@H]2C=CCCCCC2)CC1	2221609345	IPVHXRHNGCTNGM-SJORKVTESA-N	247.426	4.554	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@@]1(C)CC=C(C)CC1	2221634437	ZNURKAOOOXRHOM-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C[C@@H](O)c1c(C)cccc1C)C(C)(C)C	2222011505	MRRINEOYRIHHQO-HUUCEWRRSA-N	248.410	4.799	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](Nc2cccc(F)c2)C1	2222254821	DKECGJCTWWONQD-JSGCOSHPSA-N	249.373	4.843	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](NCC)C2CC=CC2)CC1	2222292222	KDPOAZJBUSQCLP-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@H](NCC)[C@H]1CC[C@H](CCC)CC1	2222294467	WIJCFSZSFWFCRD-ULQDDVLXSA-N	249.442	4.692	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CC[C@H](C)C2)CC=CCC1	2223591950	DQWCLAOOSBLMAB-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)CCCC(C)(C)C)cc1	2223965880	PIJOFEHFEZTPBA-AWEZNQCLSA-N	246.394	4.884	0	10	BJAE	
CCC(O)(CC)CCCCCC[C@H]1C[C@@H]1C	2243903322	SJZPONLWUYWCCO-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H](CC)CCC	2244787032	YUQCNLOGRQTCHF-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)CNc1cc(F)ccc1Cl	2244801429	LHNURBOGWLRVJE-JTQLQIEISA-N	243.753	4.717	0	10	BJAE	
CCC(=CC[C@@H](C)CCCC(C)C)CCN	2244845312	NWAMNCAIUIWPIP-AWEZNQCLSA-N	225.420	4.524	0	10	BJAE	
CC1(C)CCC(C(=O)CC2=CCCCC2)CC1	2247455037	IFJCNYYVTPCMPB-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCc1cccc(F)c1NC1CCCCCC1	2248090600	DRWNSQLRBNHHLP-UHFFFAOYSA-N	235.346	4.523	0	10	BJAE	
Cc1cc([C@H](N)[C@@H](C)C(C)C)cc2ccsc12	2248555685	NQLXPXSLINQZDK-SMDDNHRTSA-N	247.407	4.502	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H]1CCC[C@H]1C)NCC	2250361027	JFQUKHYYYJFSQM-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@@H]1CC1(C)C	2250468661	GKZZIUZYBBUTMJ-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1C[C@H](N)C1(C)C	2250469298	NHJFCSIXAUBTTL-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](NCCC)[C@]12CCC[C@H]1CC2	2251106216	RCIKCBXDDIBDGP-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CNC1CCC(CC[C@@H]2CCCCC23CC3)CC1	2253889287	KTCRTRINKVXDRU-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C(=O)CC[C@@H]2CCC[C@@H](C)C2)oc1C	2253930494	MXQRBBWBZZHHJX-RISCZKNCSA-N	248.366	4.686	0	10	BJAE	
C[C@]1(C(=O)CC2CC3(CCCC3)C2)CC=CCC1	2254115490	PCTKXZGYBCVGPR-INIZCTEOSA-N	246.394	4.662	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCCC[C@H]2C[C@H]2C)C1	2254538944	WKHAJTOANRSUMJ-UKMLZYKCSA-N	248.410	4.764	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CCCC[C@H]2C[C@H]2C)C1	2254587807	RAIBVOGDPXRBBV-PYIOCPRISA-N	249.442	4.523	0	10	BJAE	
Cc1ccc(N(C)CCCC[C@@H]2C[C@@H]2C)c(C)c1	2254604983	AUVOPIHVJNTTRB-GOEBONIOSA-N	245.410	4.566	0	10	BJAE	
CC(C)NCC1(CC2=CCCCC2)CCCCC1	2255098391	CCRHHBDOZJMJGU-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@H]1CCCC12CC2	2255234511	KIXOYZPASJRBBZ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1NC[C@]1(C)CC=CCC1	2256142413	RFPHTUJNUOIIGW-MRXNPFEDSA-N	247.357	4.546	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2c(N)cccc2F)cc1	2256208572	VHHAWTAIJBYFTF-LLVKDONJSA-N	243.325	4.588	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1CCC2(CC2)C1	2257317101	VRUOSJLRDREVFP-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(NCCCCC[C@H]2C[C@H]2C)cc1	2257326884	PQZQCRPDSVKCQH-ZBFHGGJFSA-N	245.410	4.877	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1CC(=C2CCC2)C1)NC	2259447437	MYUBAMMCLLBGIP-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](N)[C@]23CCCC[C@@H]2CC3)CCC1	2260500069	IKYHSBHPSZJHSP-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@]12CCC[C@H]1CC2	2260505114	YDKIBKUBTPZFLC-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CCC1(NC[C@@]23CCCC[C@@H]2CC3)CCCCC1	2260593581	XRDRWGQJZLPKMM-CVEARBPZSA-N	249.442	4.659	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@H]1CCCC(C)(C)C1	2298948262	KTRUZKRQBIVMHQ-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@H](C)C(=O)c1ccccc1	2300699488	GWNBTCMCLYKSTE-CYBMUJFWSA-N	232.367	4.722	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCCC2(CC2)C1	2300700908	ORPJUBIVXNKMTI-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(=CC[C@@H](N)CCC(C)C)CCCC(C)C	2300873799	CZQJTFJHXXPYJL-INIZCTEOSA-N	239.447	4.913	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H]1CCC[C@@H](C)CC1	2300900261	WHVJDHOBKUUNMF-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CC1=CCCCC1	2300903644	GRRURTIUPIBCSY-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)[C@H](C)C(C)C	2301960924	GDTCXDRYLBQQRK-ZIAGYGMSSA-N	233.399	4.903	0	10	BJAE	
COC(C)(C)c1coc2c1ccc1ccsc12	2302186038	OLYGHHHNNFWJJE-UHFFFAOYSA-N	246.331	4.529	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CCC(C)(C)C1CC1	2302614635	DEUXXZRAAYEPMU-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CC[C@@H]1C(C)(C)C	2303396632	BFXJSSURJALYAK-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H]2CCCCC(=O)C2)CC1	2303603049	ZGKXFVSRMNEWFW-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@@]12CCCC[C@@H]1C2	2311149001	FPSRZUJUGMXKPK-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(NC(CC2CC2)CC2CC2)C1	2313597077	NYUIJYKQOXUREU-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CCCc1ccccc1	2315940530	GEFXNHOHCOAQRZ-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
CCC(CC)CCC(=O)c1coc2ccccc12	2316275686	PCWIDSWAESUCSL-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CN)C[C@H]2C=C[C@H]1CCC2	2316733944	LWGPOOZUOBPEME-INMHGKMJSA-N	249.442	4.524	0	10	BJAE	
CC[C@@](N)(CC1CCCCCC1)c1ccccc1	2316879432	FDHTXFCFSHYERF-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Oc1cccc2ccccc12	2317830450	HTUURDDITAINHL-KGLIPLIRSA-N	242.362	4.899	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CCC(C)(C)C1)c1ccccc1	2319118869	OFAMGEZJWFXQNC-ZIAGYGMSSA-N	244.378	4.576	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1CC[C@H]1C1CC1)NCC	2319541176	GAOREYRZKOPUAU-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(N)CCCC2(CC2)C1	2320246984	NMPXLYLNBFRROC-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@](C)(N)C2(C)CCCC2)CC1	2320345434	AACZSCQHWOWQQT-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCCCC2(C)C)CC1	2320388236	OBLVPFACSYAITK-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@@H]1CCC(C)=C(C)C1	2320389389	ZTFACHVWHOGAQC-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(CC)[C@H](N)Cc1cccc(C(C)C)c1	2320652769	BYBRZWRSBZWQMU-MRXNPFEDSA-N	247.426	4.506	0	10	BJAE	
Cc1ccc(NC2[C@@H](C)CCC[C@@H]2C)cc1C	21813958	CJPVQQSDINOHNU-STQMWFEESA-N	231.383	4.540	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)c1ccc(C)s1	36792277	CGLCLLAKAZQPRW-AAEUAGOBSA-N	239.428	4.676	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](CC)c1ccccc1	36792444	XODMGODKZIVQEI-GDBMZVCRSA-N	233.399	4.696	0	10	BJAE	
CCCCCCNc1ccc(OCC(C)C)cc1	66165655	AFRQFEYXTZDMKG-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CCC(=O)c1ccccc1	80385416	PTVADKOBWLVGCQ-GJZGRUSLSA-N	244.378	4.866	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CS[C@@H](C)CC	83498325	VVGKDXACYIHUPQ-QWHCGFSZSA-N	244.444	4.694	0	10	BJAE	
CN[C@H](c1cc(C)oc1C)C1CCCCCCC1	86579474	SKHGVEURWSTZFC-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)[C@@H](C)C(C)C)cc1	90482324	JPIADUIEMUUNJZ-ZDUSSCGKSA-N	246.394	4.849	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@@H]2CCCC2(C)C)c1	94306662	NASMNDUSJVHUNU-GDBMZVCRSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1cccc(Cl)c1	122137677	KBQHVHPSIFRRCZ-FZMZJTMJSA-N	239.790	4.556	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Oc1ccc2[nH]ccc2c1	126487763	MTIIIPFODFMKBO-BLLLJJGKSA-N	243.350	4.516	0	10	BJAE	
Cc1ccc(Cn2ccc3c(C)cccc32)cc1C	128779388	QANNGUPQEDYVNV-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CN[C@@H](CCC1CCCCCC1)c1ccccc1	149449645	XZISCWNCRNOZFK-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CC[C@H]1CCC[C@@H]1N[C@H](C)C1CCCCCC1	164127320	SKPBTPJBRJNGLI-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)C[C@@](C)(CNC(C)(C)C)C1CC1	164232956	LWOWFQLXLPXOPH-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccccc1C(C)(C)C	165073386	JDRJWXKCFOZZPV-CYBMUJFWSA-N	246.394	4.993	0	10	BJAE	
CCCC1CCC([C@H](N)CCCC(C)C)CC1	165891651	YMBCHHGTJKWZCG-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)C[C@@H]1CCCc2ccccc2C1=O	167551359	DHPGHKKMKRVPDR-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1cc(C)c(C)cc1C	168628369	XRGZTKJGRCRPIM-RDJZCZTQSA-N	247.426	4.828	0	10	BJAE	
CC(C)c1ccc2c3ccccc3cc-2o1	196535560	ATZCJMSZADGEKK-UHFFFAOYSA-N	210.276	4.661	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CC1CCCCC1	203291139	BZTLKYLRISTCBK-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)c1ccsc1C	227804053	BGINAUFXQPCQAR-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CCN[C@H]([C@H]1CCCC[C@@H]1CC)C(C)(C)CC	229334539	PODYZDAZRDQZGZ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)CC2CCC2)c(C)c1	229689987	ABIJINRMJICLNL-CQSZACIVSA-N	231.383	4.602	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@@H]1CCCC[C@H]1CC	253053116	WUWGZIDCZFQDQW-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCC[C@H](C(C)C)C1	300316874	XEIXIQYCSSKMCG-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H](C3CC3)C2)CC1	300585198	XVQAJTQRRZBLFZ-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](C)(CCCC(C)(C)C)CNC(C)C	300851189	KXWPAKAFJJXYDM-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](N)CCCC(C)(C)C	302358168	XJTGHNGCMCOEPO-HZPDHXFCSA-N	247.426	4.724	0	10	BJAE	
CCCC1CCC(N)(CCC2CCCC2)CC1	305897679	RBQHMFBOAVXGDJ-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)CCC1CCCC1	305911210	IJBCRCRNHMBJIJ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CCC2CCCCC2)C1	305939362	LETYNYZJSMWNFO-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
Fc1cc(Cl)c2sccc2c1C(F)F	306645753	FICKFCZTLARLTD-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1ccsc1Cl	308351350	DOVPNDUNINPVGP-KOLCDFICSA-N	246.803	4.651	0	10	BJAE	
CCCC(=O)CCC[C@H](C)C1CCCCC1	310359206	SWWTWIQKIYOTTG-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@H]1CCC[C@H](C)C1	310434826	QZRHGOSRKUFETO-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)[C@@H](C)CCC	310565847	XKSGIZOUNLJXRN-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C(C)(C)C(C)(C)C)cc1	311186971	BEYVXLFCTMVXAD-OAHLLOKOSA-N	248.410	4.916	0	10	BJAE	
Fc1ccc(N[C@H]2CCCC23CCCCC3)cc1	313048291	WGWSXXIAWMFVKF-HNNXBMFYSA-N	247.357	4.741	0	10	BJAE	
CC[C@H](NCC1CCCCCCC1)C1CCC1	324699148	XRBKGVGCWUDUGC-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CCC1CCCCC1	380650950	YDAYHGLIOVMPQE-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC12CCCC2)C1CCCC1	382826480	VVGIYQQPWKGFEP-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCCC1(C(=O)CCCCCC(C)C)CC1	383166812	RKEVLPAAYLZVPE-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(O)CC1(C)CCCC1	383654821	KERSNRNBRBKLNY-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@@H](CC2(C)CCCC2)NC)CCCC1	383684851	RPQHRNSIMNFVHZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C(C)(C)C(C)(C)C	383980454	KBTCBCWFHONWAT-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](C[C@H](O)C[C@@H](C)c1ccccc1)C(C)(C)C	384340672	XJFUHOBGLUNYFH-IJEWVQPXSA-N	248.410	4.613	0	10	BJAE	
CCCC[C@](C)(O)C[C@H](C)C1CCCCC1	394535241	NSFMOCZUULNIHW-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)CCC1CC1	395480814	CIUZRZNJMPVETC-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
COc1cc2cc(Cl)cc(C(F)F)c2s1	396297969	XEDCKJMREDZQRA-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
COc1c(C(F)F)sc2cc(Cl)ccc12	396297989	XKGNFVNVCIINHE-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
O=C(CCC1CCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	398797267	UYLMBADEPLPBFD-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C(C)(C)C)[C@H](C)[C@@H](C)CC	399210029	UMMWDWBSAYXVEI-GBJTYRQASA-N	241.463	4.719	0	10	BJAE	
C[C@@H](C(=O)c1ccc2ccccc2c1)C(C)(C)C	399218576	TVSZXQSWOJJZAI-LBPRGKRZSA-N	240.346	4.705	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CCCC[C@H]1CC	401964544	RWIRRWMVYJMXPY-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CC=CCC2)c1Cl	402143379	LMGQGIKAZWMZHM-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H]1CC=CCC1)NC	402342835	OUFLFYBSSPKGND-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	403431136	UJXWCBZYUBIYQI-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(NCC2(C(C)C)CCC2)ccc1F	687273950	HLIYKVHNBABLQA-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
CCCC1(CNc2ccc(F)cc2C)CCC1	687527162	RJVLOUHJMRGLSS-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCCCCC(C)(C)CNCC1(CCC)CC1	687546337	YUWHVNHVSKHRNA-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)c1cccc([C@@H](N)CC2CCCCC2)c1	688920460	NWENCRAZKYEXNJ-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H](C)C(C)C	690185669	AZRCWRMWCUTILO-CYBMUJFWSA-N	233.399	4.576	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1cccc(F)c1	691168571	RRZYHFJCCYGFQW-DOMZBBRYSA-N	235.346	4.597	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H](CC)C1CCCC1	695057856	BBDFFXXBWOVQBU-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](NCC2CCC3(CC2)CC3)C1	695702204	YQSNTPQSURWLFS-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)CCN[C@@H](C)c1cc(C)c(C)cc1C	696176514	SCEUFGHJMUVQLL-WBMJQRKESA-N	247.426	4.699	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)c1cccc(C)c1C	696593303	LCDCAXAWJVFCLL-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCSc1ccc([C@H](N)CCC=C(C)C)cc1	697758967	BEZRTGHVSQJDMQ-OAHLLOKOSA-N	249.423	4.545	0	10	BJAE	
CC[C@H](C(=O)[C@@H]1CCCC[C@H]1C)c1ccccc1	704920461	BGKUZVNXKMRQMQ-VNQPRFMTSA-N	244.378	4.576	0	10	BJAE	
N[C@@]1(CCC2CCCCC2)CCC12CCCCC2	705261705	NKELLKOFPASSKQ-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@H]1CCCC12CC2	706971344	AGXACOMEGHBBMM-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@@H](C)CC(C)(C)C	708281868	IKJSDGCJHHSYLO-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)cc1OC[C@@H](C)CC(C)(C)C	709263435	QQCIECZWWJHBDP-NSHDSACASA-N	238.346	4.585	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CC[C@@H]3CCCC[C@@H]3N2)C1	712301588	ZBLQFGOFVQRCAK-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CN[C@@H]2C[C@H]3CCCC[C@H]32)CCC1	712377128	KKGDNKWVYHBECP-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@@H]3CCCC[C@H]32)cc1C	712415067	BLKUAGQBBDDYGP-USXIJHARSA-N	243.394	4.548	0	10	BJAE	
CC(C)c1ccc(NCC(C)(C)C(C)C)cc1	713153006	XPFPCXQHOLPGER-UHFFFAOYSA-N	233.399	4.904	0	10	BJAE	
CC(C)CC(N)(CC(C)C)CC(C)(C)C(C)C	713175233	MIGBNFFATZSKLJ-UHFFFAOYSA-N	241.463	4.848	0	10	BJAE	
C=C/C=C\CC[C@H](NC)[C@@]1(C)CC[C@@H](C)C1(C)C	713725048	LJQAVSLIKIZMEB-UTPLESCKSA-N	249.442	4.559	0	10	BJAE	
N[C@H](CCC1CCC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714425883	UMGNKADSEQAHLZ-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)C2CC3(CCC3)C2)C1(C)C	717540815	HJHSKRBMSUSLJB-MLGOLLRUSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](NC1CCC=CCC1)c1ccc(C)cc1	718039137	DTSCNIYYDDPLKJ-KRWDZBQOSA-N	243.394	4.535	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1CCCCCC1	718655485	YFIBCTQAYQOZCX-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C1(C)CCCCCC1	718699154	IZKYWSJXSKXOMQ-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
OC[C@@H](CCC1CCCC1)C1CCCCCC1	829252602	MMAZAISQZRDSDM-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
Cc1cccc(S[C@@H](C)c2ccc(F)cc2)c1	1165592774	GFEUTRCLIZYFCC-LBPRGKRZSA-N	246.350	4.987	0	10	BJAE	
Clc1cccc(Cl)c1CSCC1CC1	1458933416	CBXYHVHUJWPLIE-UHFFFAOYSA-N	247.190	4.637	0	10	BJAE	
CCCC[C@@H](C)N(C)CCC=Cc1ccccc1	1877171533	IWPJQVBKPGPRNN-MRXNPFEDSA-N	245.410	4.600	0	10	BJAE	
CC=CCc1cc(Cl)cc(Cl)c1Cl	1888061449	UDJGEVAUNLMGHE-UHFFFAOYSA-N	235.541	4.765	0	10	BJAE	
CCC(C)=CC[C@H](NC)C(CC)(CC)CC	1900849790	QKNPHMAVHGDYQS-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@H](C)[C@H](C)C(C)C	1901624905	KLYCKLWEUKXZQR-CHWSQXEVSA-N	226.404	4.700	0	10	BJAE	
CCc1cscc1N[C@H](CC)[C@@H]1CC1(C)C	1902380559	DGYSHWUTPAFJCN-NWDGAFQWSA-N	237.412	4.547	0	10	BJAE	
CCC[C@H](CC)CCC(=O)CC1CCCC1	1905310490	MELPTICCULNNIA-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H](CC)CCC	1905364076	QVICIYUTONJNPZ-HUUCEWRRSA-N	227.436	4.891	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H](CC)CCC	1905384237	WIRKPZKTLQRJQK-CABCVRRESA-N	228.420	4.924	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)[C@@H](C)C(C)C)CC1	1909710518	HHMYGRYFLQUKGT-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C=C(CNC1CC1)C(C)C	1911828528	IVFXUEUFNGTQHY-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCNCC(=CC1(C(C)C)CC1)C1CCCCC1	1912039770	KAWQMVFMVXTLNK-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC(=CCCNC(C)C)C[C@@H](C)c1ccccc1	1912121171	GDDUPZNLHPNANR-MRXNPFEDSA-N	245.410	4.515	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@@H]1CCCC(C)C	1916013968	JVJANWYLXKHKFE-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CC[C@@H]2C[C@H]2C1	1919948621	OZVWBPMNVHYFSS-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](O)C1CCCCCCC1	1921537443	XKSYNGWBTKSHEX-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(CN)C1CCCC1	1924093449	QHYMPSURUFHBIU-CZUORRHYSA-N	239.447	4.604	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@H](C)C1CCCCC1	1924129393	FGLASQABRQBZLS-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@@H](NC[C@@H]2C=CCCCC2)CC(C)(C)C1	1925832828	HERROTUDLNTVEX-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(NC[C@@H]2C=CCCCC2)ccc1F	1925891895	QHUFVCSQHZDOFG-CYBMUJFWSA-N	247.357	4.546	0	10	BJAE	
C1=C[C@@H](CC[C@@H]2C[C@H]3CC[C@H]2C3)CCC1	1932605694	YKGHATVVRYZNLD-TUVASFSCSA-N	204.357	4.559	0	10	BJAE	
CCCC[C@H](O)CC[C@@H](CC)CCCC	1933360861	JGDHAZOKXQKVOC-KBPBESRZSA-N	214.393	4.534	0	10	BJAE	
CCCCCC[C@H](N)CC1(C)CCCCC1	1935621878	AOHYRJAHBJYYDL-AWEZNQCLSA-N	225.420	4.645	0	10	BJAE	
CC1(CC(=O)CC2=CCCCC2)CCCCC1	1940378578	LBABBJWHZKFCBY-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC2(C)CCCCC2)C1	1940410919	ULOPXGFAJRUIQY-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@H](NCCC)C(C)(C)C1CC1	1941140126	PTIDOWIHURHXJJ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CCCC1(C)CC1)NC	1941261530	SMDCVUFBSMKEJX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CCCCCC(C)C	1941267029	NDHKIKRXPNEETN-HOTGVXAUSA-N	241.463	4.993	0	10	BJAE	
C[C@H]1CCCC[C@]1(C)NCCCCCC1CC1	1941594928	GQEJPZKMTVVTCK-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC(C)(CC(=O)C1CCCCCCC1)C(F)F	1941608433	WXJMHJKPLDSTIK-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)C1(CNC(C)(C)C)CC(C)(C)C1	1941981776	JNWFLWRKGPUWJF-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CNC[C@@H]1CCC(C)(C)C1	1945586944	NRDMZVBCDCOLQE-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)[C@@H](NC)c1cccc2sccc12	1945970130	LDKMOLQKIYWXAK-OAHLLOKOSA-N	247.407	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H](C)CC1	1947466931	KEIUTYMYTVUYNS-JJXSEGSLSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@@]1(O)CCCCCCCC1(F)F	1947511197	VLRJCPLRTKTGFQ-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2C=CCCC2)C1	1947551488	GKZHJRHHJXLYSZ-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)C(C)(CC)CC	1947583498	ZPBUIVAFSUGRGZ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCCCC12CCC2	1947879355	BTATWVWIEGPQJW-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@@](C)(N)c1ccc2sccc2c1	1949025777	CQEBPCLTHXIKRA-OAHLLOKOSA-N	247.407	4.656	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)CC2CCCCC2)C1	1949915410	HRSHKCHVIFNBCP-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C(C)(CC)CC)C1(CC)CCC1	1951243348	GOVGGBIUUVSIHK-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)NCc1cc(C)c(C)cc1C	1963230451	WVDQSUZPGQSDCT-KRWDZBQOSA-N	247.426	4.670	0	10	BJAE	
F[C@H]1CC[C@H](CNc2cccc(C3CCC3)c2)C1	1971535664	WFDSKWORPJHAAU-WFASDCNBSA-N	247.357	4.504	0	10	BJAE	
CCCC(CCC)N[C@H](C)C1CC2(CCC2)C1	1974004350	GKKXRTXSYTUQPI-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]1n1ccc2cc(Cl)ccc21	1982612039	LXHXPIVOSOTZIV-MFKMUULPSA-N	233.742	4.656	0	10	BJAE	
C/C=C/CCCNc1ccc(CC)c(Cl)c1	1984617085	UWCPBRAFWLHVCO-HWKANZROSA-N	237.774	4.671	0	10	BJAE	
CC=CCCC[C@H](CCC(C)C)NCCC	1984617739	DDJANIJCSXDIQF-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
C=C=CCCCc1ccccc1C(C)(C)C	1985444276	MTIAGWHILLZLIA-UHFFFAOYSA-N	214.352	4.648	0	10	BJAE	
CCCC[C@@](C)(O)C[C@H]1CC[C@H](CC)CC1	1989773043	XEXVNVORMYHVQC-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2cscc2C)CC1	1989813568	DDJCQUSFTDPYFZ-JOCQHMNTSA-N	237.412	4.685	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H](CC)CCCC	1992049833	RKVSNTTVRUJOMV-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCc1coc2c(C(C)(C)C)cc(C)cc12	1995453878	SWMJNQHJHCIIKV-UHFFFAOYSA-N	216.324	4.601	0	10	BJAE	
CC[C@@H]1CCCCN(C[C@H](C)CC(C)(C)C)C1	1995745169	VNEYCOYCYILIAQ-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
C[C@H](C[C@](C)(N)C1(C)CCCCC1)C1CCC1	1995976086	UBXGOBODDYWSPO-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC1([C@](C)(N)C2CCCCCC2)CCCCC1	1995986689	PQANPQVEZDOZQC-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CC([C@@](C)(N)CCC2CCCCC2)C1	1998658631	TXMQXNRRCRJJCQ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
C[C@H](NC[C@@H]1CCC=CCCC1)c1cccs1	1999995937	KIHRLMYHIXFTDA-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)[C@H]1CCCC(C)(C)C1	2000028909	UXSRZCWMNGNGDF-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)[C@H]1CCCC(C)(C)C1	2000034914	VOYFHQJCLFQSPD-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCCCCN1[C@H]1CCCC(C)(C)C1	2000153213	AOBWOKVMQMURDR-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CCCCN(CCCC)C[C@@H]1C=CCCCC1	2000900192	LFNABFQRCWQUKG-MRXNPFEDSA-N	237.431	4.635	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@]1(C)CCCC1(F)F	2002581238	WJLSZQXZZWVBHE-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
C[C@@H](C[C@](C)(N)[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2003021311	QFVYLDHEJREJCK-HOSILWTGSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCC(=O)[C@@H]1CCCCC(F)(F)C1	2003176003	OMCQSLMPTSFCBB-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Oc1ccccc1C(C)(C)C	2006728358	UCZGEFOKUFDFQR-OCCSQVGLSA-N	232.367	4.552	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1Nc1ccc(CF)cc1	2007030092	ZSVVUYIAUQLVQJ-DOMZBBRYSA-N	235.346	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCC(C)(C)CC[C@H]1O	2009420691	QNNQQXCFJYEHSF-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC[C@H](NCCC)[C@H]1C	2009620975	ZSHSGLOSQKSSJI-VTTDZUNHSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(N)([C@@H]2CCC[C@@H](CC)C2)C1	2009788844	FJWPVJDJCQDTRS-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)C1=CC[C@H](CC)CC1	2010704852	AAHKNZZYWIDENH-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](NC)C1=CCC(C)(C)CC1	2010767726	WSOFSBGVZCEJQO-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC[C@](CNC(C)(C)C)(CC(C)(C)F)C(C)C	2012437939	XHGVUHPRQHCKQM-OAHLLOKOSA-N	245.426	4.565	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1CCC(C(C)C)C(C)C	2015389885	CKKZTXFEEJGBKL-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(CC[C@H]1CC(=O)C[C@@H](C)C1)C(C)C	2015390202	ITZCSLPMGLUOGW-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CCC(C)(C)C1CC1	2016139170	ZXSLDYKODQAEQY-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
C[C@H](C[C@@H](N)C1(C(C)(C)C)CCC1)C(C)(C)C	2017131760	UUIZULNWEWTVAA-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)C[C@H]1CC[C@H](C)CC1	2017657276	MLOMGUOWHCPEAD-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)CC2CCCCC2)CC1	2017778090	YDZATZFJVGIRAZ-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CC)NCCCCCC1CC1	2018083560	PHTDYXGCZAJDTM-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC[C@H]1CC1(C)C	2018184355	GYZHZJPWWJOVFT-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CCC(C)=C(C)C	2023336369	OKFBTTSHJAPNGW-INIZCTEOSA-N	237.431	4.847	0	10	BJAE	
CCCN(CC=C1CCC1)C1CCCCCC1	2023347190	YEHDFYIMJFGUQP-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CCCCC(C)(F)F)CC1	2023352150	CUOIKFXSJKTSCO-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H](C)[C@@H](O)CC1CC(C)(C)CC(C)(C)C1	2024114746	CKTUNRMQXJAUCG-OCCSQVGLSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C[C@H]2CCC[C@H]1C2	2026244066	QHCRLOCSAJBMHJ-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CC1(C)C)CC1CC=CC1	2027813783	ZECGUBNVPDEPNF-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)C1CCC2(CC1)CC2	2027823271	VTSWSROSTVUWRA-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CCC[C@H]1CC1(C)C)[C@H](O)c1ccccc1	2027833662	QSMPVSGLTUTASG-KBMXLJTQSA-N	246.394	4.573	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC[C@H]2CC[C@@H]21	2027976593	YNTZTSOFAWACCR-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)c2ccccc2C2CC2)C1	2028570437	YGYRSABCAMQTEC-GXTWGEPZSA-N	242.362	4.573	0	10	BJAE	
C[C@@H](CC1CCC=CCC1)C(=O)c1ccccc1	2028872473	GKTUEJQCTCSPCX-AWEZNQCLSA-N	242.362	4.642	0	10	BJAE	
C1CCC([C@@H]2CCN2CCCCCC2CC2)CC1	2029047490	SUHVGFZVGSZAEY-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)c1ccc(C2CC2)cc1	2029081664	VXZBYKTZQHKHIU-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCC1(C[C@H](N)[C@@]23CCCC[C@H]2CCC3)CCC1	2031762935	ZGCDVPNAWUHHFM-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
CC1CCC(CN[C@@]23CCCC[C@H]2CCC3)CC1	2031797115	BBOCXMJQTDHLMH-SJJHQCBESA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@]2(N)CCC=CCCC2)C1	2031824034	DNTRPVVLHNFQHH-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H]1CCC(C)(C)C1	2033396733	YCFXLIGHQRRHDV-CVEARBPZSA-N	249.442	4.703	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)c1	2034264610	RFAVFXQNXBIYHX-USXIJHARSA-N	243.394	4.684	0	10	BJAE	
CC=C[C@@H](C)N[C@@H](CC(C)(C)C)c1ccccc1	2034975836	AYKFMWKGCCYOJD-ZBFHGGJFSA-N	245.410	4.718	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1N[C@H](C)c1cccc(C)c1	2035422996	LYRVFEZAEWHRHW-VYDXJSESSA-N	245.410	4.614	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C[C@H]1C=CCCC1	2035575336	GTSIVKFRZSJTTP-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCC1)C1CCC(CC)CC1	2035589745	HVJIVPXIPVFXRD-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(C[C@H]2C=CCC2)CCCC[C@@H]1C	2035590575	KLQXDEGJDZONHU-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@H]1CCC[C@@H](C)C1	2035597996	DMTHEILNOAGPQU-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C[C@@]2(CN)CC23CCCC3)CC1	2036104461	HKIZEOAPRPLADY-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)c1cccc(C(C)C)c1	2036387691	CMMYVISVUOKBIM-WMLDXEAASA-N	248.410	4.700	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@H](N)CCC2CCCCC2)C1	2037053035	INPWWIHAJCFOHF-IAOVAPTHSA-N	249.442	4.667	0	10	BJAE	
N[C@]1(C[C@H]2C=CCCCC2)CCC12CCCCC2	2037273884	CWDYCIBCAJYLTJ-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@@H](NC)c1ccccc1	2038138500	KYXWRXADEBBQFZ-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@H]2C[C@H]3C[C@H]3C2)CC1	2038440079	MILWWLFPVDOUBS-QKDCVEJESA-N	248.410	4.598	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H]1CC12CCCCC2	2039012990	UHHAAILQRVOPTR-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCCC[C@H]1NC[C@@H]1CC12CCCCC2	2039056894	ANWPDNKXNDXNRZ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CC1CCC(C)CC1	2039441055	JMSFORJJQLKGBD-VEMNMXHQSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(CC2CC2)cc1	2040730516	LCXGHVWMZSCXOI-ZDUSSCGKSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@]1(C)CC=CCC1	2042018064	AXXHFCVSNDEJAI-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](NC[C@]1(C)CC=CCC1)C1CCCC1	2042072067	MLMRDJZEJDTOOU-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@H]1C=CCCCC1	2042739060	UNAFZHOELOHEFY-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
Cc1cccc2cc(C(=O)CCC3CCC3)oc12	2042745577	WNBJAIXIPQBAOC-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
C[C@@H]1C[C@@H]1c1ccc(C(=O)CC2(C)CCCC2)o1	2045562746	YNSNXTHNOCHJIP-NEPJUHHUSA-N	246.350	4.556	0	10	BJAE	
CCCN[C@@H](CC1CC1)C[C@H]1CC12CCCCC2	2047016807	QZUGOTCSZAJZFD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C[C@@H]2CC23CCCC3)C1	2047064045	BHQQNQINNXEVFS-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@H]1CCC12CCC2	2047930352	AEKFMSODEQGKBC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC1(NC[C@@H]2[C@H]3CCCCC[C@H]32)CCCC1	2048444364	BPCQFMQYDOZTBH-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C2CC3(CCCC3)C2)C1	2048622570	YOYISSYTNOOAPQ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@@H]2CCC3(CC3)C2)C1	2049858867	PXLNYOJMOZIJKA-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CCCC2(CC2)C1)C1CCCC1	2049938519	RIPFZJUDXXFEGU-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@@]1(C)C=CCCC1	2049997525	OESDRUXUYUZQST-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@@]1(C)C=CCCC1	2050006018	KDWIBLQOMHRRLL-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C1CC(CC2CC2)C1	2050218704	BOLBQASSHMWJOP-JEYLPNPQSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](CCCC=C(C)C)c1ccc(C)cc1	2050430621	NCJWJXMEQCWWPC-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CC(C)c1cccc(C(=O)C2(C3CCC3)CC2)c1	2051910045	GKDMGMCIULCKMZ-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H]2CC[C@@H]21)C1(C)CCCCC1	2052278159	AJOQTFGSYFTLLM-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
N[C@H](C1CCCCCC1)[C@@H]1CCCCC12CCC2	2053409755	BDYGGDOUDJXFSO-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@@H]1CCCCC12CC2	2053412256	NZHLJNPBWRPOFI-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NC[C@H]1CCCCC12CC2)C1CCCC1	2053435834	HHAAHIRNXDCOGO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1ccc(CF)cc1	2055671132	FBMLJDWSACTHFF-CJNGLKHVSA-N	247.357	4.560	0	10	BJAE	
CCC1CC(C[C@H](N)[C@@]23CCCC[C@H]2CCC3)C1	2056654188	XATYWKZCLHJJJR-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C(C)(C)C1CC1	2056873880	RJKRRDXCXRWDEN-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](NCC2(C3CC3)CCCC2)C1	2057604566	SWSZRDRAQLLEEK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@@H]1C[C@H]1C=CCCC1	2059000608	SRJAISBSSRMEOJ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C1(C2CCC2)CC1	2059174895	YUTMMVMYBLLUPN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C1CC2(CCC2)C1	2059259631	QZNBXUKXWPONQY-LLCTXKFZSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(NC[C@]2(C)C=CCCC2)C1	2059395737	PDCUHIOQGBGPAB-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCC(C)(C)C[C@H]2C)CC1	2061114359	XTJHECVJAASXPN-CPUCHLNUSA-N	249.442	4.667	0	10	BJAE	
c1ccc2c(CC3CC(=C4CCC4)C3)c[nH]c2c1	2061725862	JOIIAMUJQBAIJM-UHFFFAOYSA-N	237.346	4.601	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNc1ccccc1C1(C)CC1	2062640187	BBALIOVMOZEGMY-KBPBESRZSA-N	243.394	4.586	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2CC3(C2)CC(C)(C)C3)C1	2063204008	LMDMMJRFIHQPDY-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCC1	2063497479	QZQMSFDMCOVPOZ-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063520747	QSBCXSKFQJENKK-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCC1CC1)C12CCCC1CCC2	2063821614	JLLNWWCGVVLYQF-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](C)C1CC2(CC2)C1	2064595268	HSUAOHFFVPZWGR-LZWOXQAQSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NC[C@H]1CCC=CCCC1)C1(C)CCCC1	2067540608	QECIYHLNLIQECH-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CN[C@@H](C)C1(C)CCCC1	2067572216	YAGVMKFJBYJNRC-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
COc1ccc(C)cc1N[C@H](C)CCC=C(C)C	2070398420	MENLUZQHCNEFCK-CQSZACIVSA-N	247.382	4.550	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C[C@]1(CNC(C)(C)C)CC=CCC1	2070972592	UMVXQSCLPPGXAX-PVAVHDDUSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(CC(=O)C2CC(C3CC3)C2)CC1	2072875068	JZTDRZMKWSTZSY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@](N)(CC)c1cccc(CCC)c1	2073342038	UGFJNAKZJVSKCF-KRWDZBQOSA-N	247.426	4.783	0	10	BJAE	
CCCC1(CC(=O)c2cc3ccccc3o2)CC1	2074569277	QCZVVVUKMBYCKW-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCCC1CC(CN(C)[C@H](C)c2ccccc2)C1	2074793277	SCYQGPCTSHVXDV-QQFBHYJXSA-N	245.410	4.506	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@H]2CCCC23CC3)c1	2077264759	ZOJOTHPDQFVOLT-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
CCc1cccc(-c2cc(Cl)cs2)c1	2080280275	SRQJUPRWZWMXSK-UHFFFAOYSA-N	222.740	4.631	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1ccc(C)cc1C	2086054594	TWHHADCBVORPKS-DYVFJYSZSA-N	247.426	4.910	0	10	BJAE	
CCC[C@@H](C)C(CC)(CC)CN[C@@H](C)CC	2212597107	LVOGAYZEPXHKFS-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213278153	RSASOPHUKDGRKX-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213305880	IKWWFSUDGKKXIS-FICVDOATSA-N	234.383	4.518	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCCCC2CC2)CC1	2214564840	YFJAYAMCMAHVAU-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
C=CC=CCCc1cccc(C(F)(F)F)c1C	2214851467	OTOZTNDCNYWMBO-UHFFFAOYSA-N	240.268	4.689	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC1(N)CCC(C)(CC)CC1	2215250934	NXIVUJPJOHFVGL-QVOMUQBLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CC1(C)CC2(CCC2)C1	2215392658	HDLLTSFIEHQTKH-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](CNC1CCC1)CC(C)C	2217129131	JMQZLVNEZILNBA-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CNC1CCC1)CC1(C)CCCCC1	2217133848	DVRWYLHYBCUKGG-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@H]1NCCC1=CCCCCCC1CC1	2218720944	NJHZOSAFSVUHSD-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2CCCNC23CCCC3)C1	2221037294	CNEFTFHCGHIYJN-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](CNC(C)C)(C2CC(C)(C)C2)CC1	2221660808	JZKLPUUVSIIBRA-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
C(CCCC1CC1)CCC[C@]1(C2CC2)CCCN1	2223154991	OJLXBXVFUNGDRE-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CCCCCCC1(CNC2CCC2)CC2(CC2)C1	2223566692	RDCNWVFCSMOIBL-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)[C@@H](C)C[C@]1(CNC2CCC2)CC=CCC1	2223599326	JZPKUQLFKCOBLU-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](C[C@H](C)CC(C)C)N2	2224120057	IXGPZBNMSQYYAL-ZBFHGGJFSA-N	245.410	4.794	0	10	BJAE	
CCC(CC)C(=O)CC[C@H]1CCC[C@H](C)C1	2242770250	NCTSRBUXNVCJBR-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H]1CCC1(C)C)NCC	2247385514	GCBUSKIKRSWSRK-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](C)c1cccs1	2248102002	JJBWGRPWQVBRJD-JTQLQIEISA-N	249.354	4.623	0	10	BJAE	
CN[C@H](CCCCCC[C@@H]1C[C@@H]1C)C(C)(C)C	2248813545	FZFSJACWGVTHLX-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCCCC[C@H]1C[C@H]1C	2250358710	AIAAPVGDXJLBFE-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1ccccc1C(C)C	2250367902	BDCXAGDKHDHDEQ-XJKSGUPXSA-N	234.383	4.670	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)c1ccoc1	2250468507	DVGZABBPFXIVNA-UKRRQHHQSA-N	237.387	4.522	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CC[C@@H](C)NC1	2250478128	FLIZCXSZRFPNFR-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2251218631	UIFMARRIWSNEHR-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC)CCC1CC(CC(C)(C)C)C1	2251607791	IKNFYRJMHJFCPF-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@H](N)C[C@@H]2CCCCC23CC3)CC1	2253815460	LIPQNYVWOXBLLU-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)C[C@H]1CCCCC12CC2	2253820841	VOCSMVVXRDSFMC-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC[C@H]1CCCCC12CC2)C1CCCC1	2253844781	VPUMNKUQZADEFZ-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CC[C@@H]1CCCCC12CC2)C1CCCCC1	2253858972	XBTJLOMNPNLTKT-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(N)CC3(CCCC3)C2)C1	2253998713	VTMPQRZOJTXWDM-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C12CCCC1CCC2	2254569873	SZKQMXUIHSRIMZ-JPQBHMHHSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C12CCC(CC1)CC2	2254574987	CMQYZGGLUVYICZ-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CCCC[C@@H]2C[C@H]2C)C1	2254587805	RAIBVOGDPXRBBV-BYHHXJKWSA-N	249.442	4.523	0	10	BJAE	
C1=C(CN2CCCC3(CCCCC3)C2)CCCC1	2255058744	UENDYJCMURTCPO-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@H]1C[C@H]1CCC	2255105504	TUQZWTJFBZLDKV-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCCC12CCC2	2257249011	RHQPQAJCPSVTDU-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC2CCC=CCC2)CC1	2257921714	GEKHZEDDPTWLOF-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(N[C@H](C)[C@@H]2CC23CCC3)cc(C)c1C	2258232384	BPIJOSUPLFRFHQ-ZBFHGGJFSA-N	243.394	4.602	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@@]12CCC[C@H]1CC2	2260507017	KRKXEWTUASUITC-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@@]12CCC[C@@H]1CC2)C1(C)CCCCC1	2260632184	BMJLTGVYCPTAPE-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(C[C@@]23CCCC[C@@H]2CC3)C1	2260645006	FRSSKUGDQCTSQJ-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@]12CCCC[C@@H]1CC2)C1CCCCC1	2260648667	SZBWYLXMZPEFDK-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](C)C(=O)c1cccc(C2CCCC2)c1	2260736218	UJGKUFRPKVTOEX-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1C[C@@H]2CC[C@H]1C2	2298438445	CRNCLFQUKQASJN-VHDGCEQUSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(CCN[C@H](C)CCCC(C)C)C1	2298841322	CYYPVYPFGPXTBD-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1CCC[C@@H](CC)N1	2300184603	IENZTSLPHWYUDJ-XHSDSOJGSA-N	239.447	4.904	0	10	BJAE	
CCC(CC)CC[C@](C)(O)[C@]12CCCC[C@H]1C2	2300684203	RJZROUWVSLMCAN-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC1(CN)CC2(CCCC2)C1	2300684323	SMZXTZCDMPVFJV-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCN[C@H](CCC(CC)CC)CC[C@@H]1C[C@@H]1C	2300689765	BADGKOSSBIYEAB-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@H](N)c1ccccc1C(C)C	2300875219	SJAGOGCPLNWHSV-INIZCTEOSA-N	231.383	4.556	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)CC=C(C)CCCC(C)C	2300880980	PWNWOVCEYQKIEY-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
CCC(C)=CC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	2300897097	PQMBBOZQYASSMP-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
CCN[C@H]1[C@@H](CC=C(C)CC)CCCC1(C)C	2300903983	KIDPPXBVZNIZAY-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCC1(N)CCCCCCCCC1	2300920308	FKLBIFISBSYNJQ-UHFFFAOYSA-N	237.431	4.955	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](CC1CCCCCC1)NC	2301138819	AGKBYYUQLCUKGC-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@@H](C)[C@@H](C)C(C)C)C(C)(CC)CC	2301824613	FHACDGDVJYMNLI-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1C(C)(C)C[C@]1(O)CCCCCCC1CC1	2302116688	VWOQKABKPPECEW-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(CCCC2=CCCCC2)cc(C)n1	2302345978	ZVQYCDFNTSEEHP-UHFFFAOYSA-N	229.367	4.522	0	10	BJAE	
N[C@H](CCCCC1=CCCCC1)C1CCCC1	2302346127	BRNQSPNXJKDBKY-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
O[C@H](CCCCC1CC1)C1=CCCCCCC1	2302573794	IGPVXDCYWFROIB-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCCC(=O)CCC[C@H]1C[C@@H]1C	2302608767	BDWGCEQSQBHFMV-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CC[C@H]2C(C)(C)C)CC1	2303395221	QIKWWMVWRAJAPK-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@@H]1CC[C@H]1C(C)(C)C	2303404481	PVLYTLLOOUXQBE-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@@H](CSc2ccccc2O)CC1	2303595239	QOQBTPROZQIVQI-ZDUSSCGKSA-N	248.391	4.621	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@H]1C1CCC1)CC1CCCCC1	2311468868	YWACDDSOYXPHFT-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H](C)c1ccc(C)cc1	2316239007	PBEFCJULQDRRGP-PBHICJAKSA-N	247.426	4.642	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1C[C@H]1C1CCCC1	2316875415	WDKMRTXIOQLXHR-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316879861	HFNDLIYHDKXUTO-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(N[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316886987	UFHVOOMKKWJZQT-OQBQERNKSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCNCC1[C@@H]2CCCCCC[C@@H]12	2318391965	HDIRMGUWPSNEJY-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)CC(C2CC2)C2CC2)C1	2319289000	ODNLMAGXHKBWNY-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCC[C@@H]3C[C@@H]32)cc1	2319328021	BBWVUGAEDHXUMM-HYVNUMGLSA-N	243.394	4.801	0	10	BJAE	
CCCC1CCC(N[C@H]2CCC(C)=C(C)C2)CC1	2320238050	QLQVHSFKTOQHTP-JCYILVPMSA-N	249.442	4.824	0	10	BJAE	
Cc1ccc(NC[C@H]2CC[C@@H]2C(C)(C)C)c(F)c1	2320318703	BDMDCHBUORJHKA-OLZOCXBDSA-N	249.373	4.618	0	10	BJAE	
CC[C@@H](C1CCC1)N(C)C[C@@H]1CCC(C)=C(C)C1	2320335175	ASXJESVZWZFRPI-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
CCN[C@@H]1CC[C@](C)(C[C@@H]2CCC(C)=C(C)C2)C1	2320388491	QNWNKAGSIRTPGG-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@H]1CCC1(C)C	2320402974	XKAFVXZWDQDHGC-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@]23CCC[C@@H]2CC3)CC1	2320407090	XAIILVIGGPLTBR-BFYDXBDKSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@H]2CC[C@H](C)C2)c1	2327674231	YYARLIVZUXCLGR-RVSPLBMKSA-N	246.394	4.588	0	10	BJAE	
CCC[C@H](CC)CN(C)C[C@@H](C)c1ccccc1	2328082376	BLSZRBMINCKYII-CVEARBPZSA-N	247.426	4.548	0	10	BJAE	
CC(C)(C)c1ccc(OCc2ccccc2)cc1	36373726	QBMLBNAXJHSILE-UHFFFAOYSA-N	240.346	4.563	0	10	BJAE	
CC1=CC[C@]2(CC1)C(C)=CCCC2(C)C	62237883	SIBCECUUMHIAAM-HNNXBMFYSA-N	204.357	4.869	0	10	BJAE	in-vitro
CC[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(C)cc2)C1	71118142	VDYLYNNSWAINKB-ZMSDIMECSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)c2cccc(C)c2C)C1	71153901	CRUIOQJZRLHKIV-INMHGKMJSA-N	246.394	4.553	0	10	BJAE	
CCCc1ccccc1NC1C[C@@H](C)C[C@H](C)C1	84464663	YJPZUQPXOFFSRG-KBPBESRZSA-N	245.410	4.876	0	10	BJAE	
CCCCCCN[C@@H]1CCC[C@H](CCC)CC1	86923292	YUOSNLDSVFKZSO-JKSUJKDBSA-N	239.447	4.905	0	10	BJAE	
C[C@@H](C[C@@H](O)c1sccc1Cl)C(C)(C)C	87623263	BFJNAGVFNGVWCU-WCBMZHEXSA-N	246.803	4.507	0	10	BJAE	
CC(C)c1ccc(CCCCCN)c(C(C)C)c1	87729348	WWEXGBUGCXCENS-UHFFFAOYSA-N	247.426	4.605	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)c2cc(C)cc(C)c2)C1	87988297	WKODMODCFVGYHY-VYDXJSESSA-N	245.410	4.520	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H]1CC[C@@H](CC)C1	88018091	SAHGHQLMWAOYRX-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1OC1CCC(C)CC1	88764925	APVDHXWDLXBHOZ-UHFFFAOYSA-N	238.758	4.606	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCC[C@@H](C3CC3)C2)c1	91510736	WZXKQBOXAJHUIX-UKRRQHHQSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1CCC(C)CC1	109710372	IIBOBQVHPDSFMO-SLTAFYQDSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)c1cccc(C)c1	109725839	RLQQCQVKRIMSAC-RHSMWYFYSA-N	247.426	4.862	0	10	BJAE	
CCC[C@@H](C)CNc1cccc(O[C@H](C)CC)c1	109948714	SXNFJVZIYGYRFR-ZIAGYGMSSA-N	249.398	4.712	0	10	BJAE	
CC(C)CCC[C@H](C)NC/C=C/c1ccccc1	110165945	BIYVDESZNXGARS-OIQJVACTSA-N	245.410	4.504	0	10	BJAE	
CCCCC1CCC(CC)(CNC(C)C)CC1	110199190	FQCAOZCDMMRWGE-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1)c1ccccc1F	122446358	QLWFSYPKGGKHMD-INIZCTEOSA-N	243.325	4.697	0	10	BJAE	
CCc1ccc(C(=O)C2CCCCC2)cc1CC	127909568	ISMPJDXXBMRUKX-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
Cc1cc(C)c(CNCCCCC(C)C)c(C)c1	134293617	UEKFEVCQOFLWIG-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
Cc1ccc2oc([C@H](O)CCCC(C)C)cc2c1	139177002	ZTFMFMFAISUPDE-CQSZACIVSA-N	246.350	4.601	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@@H](CC)c1ccccc1	162132651	UYRPQYQIISRJOR-BHYGNILZSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1C)[C@@H](C)CCC	163538673	SCGIQMVJSMDVFJ-YOEHRIQHSA-N	247.426	4.780	0	10	BJAE	
CC(C)CCC[C@H]1C[C@H](C(C)(C)C)CCC1=O	165473885	ZCMYIPVIZBMHFC-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC1CCCCC1	165793007	RIYVCYPXOPUXFC-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@H](C)CCC	203425629	JVROYZIZPLFSFN-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCC1CCC(CN)(CC2CCCCC2)CC1	203530754	FHYROHOZQRGTJD-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H](C)C(=O)c1cccc(-c2ccccc2)c1	204745751	XSCBYZLGNXKPNX-CYBMUJFWSA-N	238.330	4.582	0	10	BJAE	
CCCC[C@@H](CC)c1nc2c([nH]1)CCC[C@@H]2C	216974094	KXALGAYYOBXMIV-NWDGAFQWSA-N	234.387	4.533	0	10	BJAE	
CCC[C@H](C)CC(C)(C)[C@H]1CC[C@@H](C)CC1=O	222543356	GNTWBPDZZLJZSE-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc([C@H](O)[C@@H]2CCCCC2(C)C)cc1C	226651853	CZIAZHWNTZINDV-HOTGVXAUSA-N	246.394	4.553	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H]1CCC[C@@H](C)C1	227086447	DOSUIGZIMIWXCI-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CC[C@@H](CC)C1	227220698	NNGAOOUYPUYMCG-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](O)c2ccc(C(C)C)cc2)C1	227447461	HRSGSFYXGKRASC-XYPHTWIQSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C1(C)CCCC1	229163350	RXRRXUDBELGXNB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCC1CCC([C@@H](O)[C@H](C)CCC)CC1	232928200	IRTQGHONFDLYIP-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)C[C@H](C)NCC	251408949	WRYCZDVAGKIJKR-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@](O)([C@H]2CCC[C@@H](CC)C2)C1	251754828	LOBUMBXDPNEIPR-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc2cc(C(F)(F)C(C)C)ccc2c1	259020448	PPWPRMDROUZUJC-UHFFFAOYSA-N	234.289	4.896	0	10	BJAE	
Clc1ccc2[nH]cc([C@@H]3C[C@H]4CC[C@H]3C4)c2c1	300263147	SBDREGHVMKVJNA-JBLDHEPKSA-N	245.753	4.725	0	10	BJAE	
CCC[C@H]1C[C@@H]1N[C@H]1CCC[C@@H](CCC)CC1	300577764	FNVASRUUVPNYMY-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(CC)c(C)c1	300847166	GJFVHQHJICJLQZ-AWEZNQCLSA-N	219.372	4.548	0	10	BJAE	
CCC(CC)n1ccc2c(OC(C)C)cccc21	301722647	IAJFFYQWNSRRHH-UHFFFAOYSA-N	245.366	4.790	0	10	BJAE	
CC[C@@](O)(CCCC(C)(C)C)c1ccccc1	302365618	YIWZOOYYULZOQS-MRXNPFEDSA-N	234.383	4.501	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H]([C@H]2/C=C/CCCCC2)C1	304171525	HJJWHSNFKIJAOY-IXIDLXPLSA-N	234.383	4.518	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@H](C)C(C)(C)C	304364919	ZGEBEPVPESQFLH-JTQLQIEISA-N	239.790	4.743	0	10	BJAE	
Cc1ccc2ccn([C@@H]3CCC[C@H](C)C3)c2c1	305668863	RIRXOPMFQSPLLE-SWLSCSKDSA-N	227.351	4.701	0	10	BJAE	
CC(C)[C@@](C)(CCCC(C)(C)C)CNC1CC1	305922413	MLWDPESQLMSBCR-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CSc1c(Cl)sc2ccc(Cl)cc12	306598958	QPDOGWQBFGWLDE-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCc1cc(Cl)c2c(CC)csc2c1	307524288	FQSHXNPFRKXPRR-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCc1cc2cc(CC)c(Cl)cc2s1	307532063	XARFYPQQILSRAO-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)[C@@H]1CCC[C@@H](CC)C1	308057764	SARZBEHPSIRSKU-QLFBSQMISA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@@H](C)CC(C)C	308118182	YHQRQSOUPWXYRZ-UONOGXRCSA-N	226.404	4.700	0	10	BJAE	
CC(C)NC[C@@H](CCCC(C)(C)C)C(C)(C)C	309992715	VTDGJOVRMUPEPD-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCCNC/C(=C\[C@H](C)C1CCCCC1)CC	310541516	CJICJOBGLBKSGM-UZFBZYOGSA-N	237.431	4.539	0	10	BJAE	
Cc1cccc([C@@H]2C[C@@H](C)c3ccccc3N2)c1	310754152	IZDVPKASRFHBCS-DYVFJYSZSA-N	237.346	4.655	0	10	BJAE	
CCCC1CCC(CNC)([C@H]2C=CCCC2)CC1	317014063	JSCBYVFQVLJXAM-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CCCCCC1(CNCCC)CCC(C)CC1	317121317	FFQKBQUHEQOGGW-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(CNC2CC2)CCCC1	318035423	LCGLWFZDCSUNAG-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@]1(CNC(C)(C)C)CCCC[C@H]1C	318724099	LHMXUMNZWLYAFD-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)C(C)C)c1ccccc1	320052678	ZDEJKZNQUNYASL-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
CCN[C@H](CC)CCC[C@H](C)C1CCCCC1	380036111	QMMMWSHWFXCTIA-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCC[C@H]1C	383176035	TYUDESTVKYWFOW-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](CC1CCC(C)(C)CC1)c1ccoc1	385191159	ONWZUCOUVWYZQK-OAHLLOKOSA-N	249.398	4.537	0	10	BJAE	
CCN[C@@H](c1ccc(C)c(C)c1)[C@@H](C)CC(C)C	385341462	XJSFOEFLJGIZAW-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
Cc1cscc1N[C@H]1CCC[C@@H](C(C)C)C1	387294449	IQHBDDPYIUMBQB-OLZOCXBDSA-N	237.412	4.683	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](O)(CC)C2CCCC2)C1	387591018	SPCNJNUGLZGYMT-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC/C(C#N)=C(\Cl)c1cccc(C)c1Cl	389519417	XPPTUDXBTRKQLZ-FMIVXFBMSA-N	240.133	4.532	0	10	BJAE	
CCC[C@@H](CCCC1(C)CCCC1)NCC	390673472	WIDPTAIAIWKUGY-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)CC(C)(C)C	395028164	UBXHDCGOWGYNEF-ZFWWWQNUSA-N	228.420	4.780	0	10	BJAE	
CCCc1ccc(N[C@@H](C)CC(C)(C)C)cc1	395064308	WEMSYJFVTFDBDQ-ZDUSSCGKSA-N	233.399	4.876	0	10	BJAE	
CCc1cc(C(F)(F)F)cc2scc(F)c12	396289534	AEUDLRYQWOKXQQ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1csc2cc(C(F)(F)F)c(F)cc12	396303255	TWCAPVGMBWENMJ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
O=C(CCC1CCC1)c1ccc2ccccc2c1	398763666	JMDVRRAVDHDPPD-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@H](CCCC2CCC2)C1	688400353	DYDIQXVJRCTCMG-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](C[C@@H](CC)CC(F)F)NC	688899125	NJHSVGGJWWJJOP-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCSc1cccc(NCCC2CCCC2)c1	689682818	OTVRBTJFNCPHJY-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)C(C)(C)C	696631131	COAOJUYYOONAAG-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCC1CCC(NCCC(C)(C)CC)CC1	696800121	RMQWOHLCXCLEMU-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC)CCCC(C)(C)CC	696800740	WZTSDCHDUFLHEF-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H](C)C(F)(F)F)cc1	698749046	CCLYZLFOWFEMTC-VHSXEESVSA-N	245.288	4.563	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NC1C(C)(C)CCC1(C)C	699591793	BDCRTJPQWMGUPD-OLZOCXBDSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cccc2ccsc12	701093235	UWSKCXYVFLQMLH-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CCCC[C@@](CC)(CNCC)CC(F)(F)CC	704721211	YYCNMPINXINKBM-CYBMUJFWSA-N	249.389	4.618	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](O)C1CCCCCCC1	704895249	PLTQCCXDMFGIRD-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(CC1CCCCC1)C(C)(C)C	707671267	FPJAZKMCEUMWHY-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCc1cccc(N[C@H](C)[C@@]23CCCC[C@H]2C3)c1	709105282	DHNGLBJZCJISLA-KMFMINBZSA-N	243.394	4.630	0	10	BJAE	
C[C@H](N[C@@H]1CCCC(C)(C)C1)[C@@]12CCCC[C@@H]1C2	709155229	SECRPXICOQUZBG-HWMZRRJGSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C[C@](C)(N)CC1CCCCC1)C(C)(C)C	710720565	PGTNIIMIWODVOO-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](O)(C[C@@H](C)C(C)(C)C)C1	710734401	DSKBJBHXANHDCH-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C[C@H](NC)[C@@H](C)CC(C)C)C(C)(C)C	711091477	AANMYFXDMSKKSR-ZNMIVQPWSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC)CCC[C@H](C)C(C)(C)C	711208182	LDJQZESONTWCHP-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](N[C@@H](C1CCCC1)C1CCC1)C1CC1	711833500	RUIYZEMSCDNRDY-IRXDYDNUSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H](C)CC1CCCC1	712526064	XJLFMXMPCGYUOC-LZWOXQAQSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C(C)C)C(CC)CC	713185797	UETXJIZXOOSLIL-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CC1(C)CC[C@H](CCC2=CCCCC2)C(=O)C1	717439389	PNXBIMNGHZFPPB-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CC[C@H]1CNC(C)(C)C	718493951	LTFVIYHUTXGRJA-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCNc1ccc(F)cc1Cl	718643929	OCDKPWJJZRZKMV-UHFFFAOYSA-N	241.737	4.637	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC/C=C/c1ccccc1	721701127	ASBWSJKKROGCGJ-LRFDDAOPSA-N	246.394	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H](C2CCCC2)C2CC2)CC1	723961185	TZWZXZVXXVMMCZ-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CCC(NCc2ccccc2)CC1	1473912628	SGJLBIKAOHCINI-UHFFFAOYSA-N	245.410	4.525	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1CCCC[C@H]1C	1560478803	KNBHRCQDKIHJCX-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC(=CCCNC(C)C)C[C@H]1CCC[C@H](C)C1	1879519870	KRSZADLAZYHWQO-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCC=CCCNC(C)(C)C	1900714822	YBAOWBSARNPXFA-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCC(C)(C)C1	1905304803	SNWRWWHNOKBMIC-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CCC(C)(C)CC1=O	1905448369	YLKNXLSXDQLSLH-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCC[C@@H]1C[C@@H]1C	1908581620	CWJLUHHWQPXQOR-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](CCCC(C)C)NCC	1910762546	KVGFJZJPQLDAQL-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(CN)CC3(CCCC3)C2)C1	1912585272	PKABTOHJZBLAED-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H]1CCCCCCCC[C@H]1O	1913394118	ZVYORJXYVNAXCU-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H]1CCCCCCCC[C@@H]1O	1913430272	JVBGNHLDQNBZLT-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)C[C@](O)(CC(C)C)c1ccccc1	1920029029	NLLFZOIKOUQMBG-QGZVFWFLSA-N	248.410	4.747	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)[C@@H]1CCCC12CCC2	1921587524	WWOVBIRONBPMDS-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](N)[C@H](C)C2CCCCC2)cc1C	1924135867	OHQYNZUQKJNPQU-PBHICJAKSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@H](C)C1CCCCC1	1924148035	INZVKNZCNQSIHB-CJNGLKHVSA-N	249.398	4.537	0	10	BJAE	
CN[C@@H]1CC(C)(C)CC[C@@H]1C[C@H]1C=CCCCC1	1925892989	QTTHIXCXHCYLPV-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)C1(CC)CC1	1925913206	YBCQROWLULMDOR-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](NC[C@@H]1C=CCCCC1)C1CCCCC1	1925942565	KKSNZKNSWVUZGC-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCN[C@H](CC)c1ccsc1	1926171417	FUHQLYXKURRVMZ-CQSZACIVSA-N	239.428	4.615	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@@H](C)C1CCCCC1	1926368672	WGKSUAVTMBTLHK-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC(=O)CCC[C@@H]1CC1(C)C)C(C)(C)C	1940877385	QVUICPMRGUDYAN-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCCC(=O)c1cc2ccc3ccsc3c2o1	1941130348	YUWUGHUWUXDMDB-UHFFFAOYSA-N	244.315	4.630	0	10	BJAE	
CCC[C@H](C(=O)c1ccc(C)cc1C)C(C)C	1941264094	HLHPIXZIKSDERQ-AWEZNQCLSA-N	232.367	4.558	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)C1(CC)CC1	1941587398	RXMYKEXCFBAJCG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCC[C@H]1C)C1CCCC1	1944870488	XFZHDSODNWPRPV-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCC1(NC[C@@H]2CCCC[C@H]2CC)CCC1	1945277430	UCTYVYBLLHPZAX-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCNCC(=CC(C)(C)C1CCCCC1)CC	1946188310	ILIZGRMKCSGNRL-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
Clc1ccccc1N[C@@H]1CC[C@@H]2CCCC[C@H]21	1946343113	VUIQBSULTFPPPD-OUCADQQQSA-N	249.785	4.721	0	10	BJAE	
CCC(CC)CN[C@H]1CCCC2(CCCC2)C1	1946456052	SADZLLSBPIVSTK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)(C)C)CC(C)(C)F	1947081569	RZGJKRYLMCBISR-QWHCGFSZSA-N	245.426	4.565	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)C1CC(C)(C)C1	1948155286	KLCPVIXAQNISLZ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)cs1	1948594101	WSLCFMUPNUNQBW-GZBFAFLISA-N	249.423	4.827	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]3CC[C@@H]32)c(C)cc1Cl	1948821264	RMZNSHHBHJFIKP-SGMGOOAPSA-N	249.785	4.557	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCC2(CCCC2)C1	1949495627	AVJRANYBLKUZOI-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
Clc1ccccc1NC[C@@H]1CC12CCCCC2	1950637979	DDJMHVQUWZFTNW-LBPRGKRZSA-N	249.785	4.722	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(CN)CCCC(C)(C)CC1	1950916951	CIFNNWUIZQFPBF-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC3(CCC3)C2)c1C	1968251038	XIPWSKOIFXQSJF-HNNXBMFYSA-N	243.394	4.828	0	10	BJAE	
CC(C)c1ccc(NC2C[C@@H]3[C@@H](C2)C3(C)C)cc1	1968291568	BNSJFERUPKBCNR-HZPDHXFCSA-N	243.394	4.657	0	10	BJAE	
C[C@H](CCC1CC1)Nc1ccc2c(c1)CCCC2	1968911418	GITBTZMRGUMPPG-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
C[C@@H]1CC[C@H](COc2cccc3sccc23)C1	1969667014	KIWIIUFDSUMDTD-NEPJUHHUSA-N	246.375	4.716	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@H]2CCC23CCC3)C1	1972259310	KXMJNBQIJBIRLW-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)c1ccc(C)cc1C	1973315413	HPROBWNQHZQCAD-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](n2cccc2)CC1	1976403853	YBDGOCJCAHPEFV-KBPBESRZSA-N	219.372	4.656	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)C1(C)CCCCC1	1995990287	GDWRKGUAOOOIBF-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CCC[C@@H](C)[C@](O)(CC)C1CCC(C)(C)CC1	1996549486	VXIHYXXYZREVNZ-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCNC1(C2CC2)CCCCC1	1998183743	HGISMEXURZIAID-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC)CC1CC(C(C)(C)C)C1	1998239558	JNETYUOKYDKUKI-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CCC=CCCC1)C1CC1	1999981361	MZLCHOQLSBDZLF-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
O=C(CCC1CCC1)C[C@H]1CCC=CCCC1	1999984347	XLNYFGGNTNCZQS-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1C(C)=CCC[C@@H]1C	2000345408	ZLJZWALIYDKXMP-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)CC1CC(C)C1	2000514338	NEZMPSJLRBCWHE-XUJLQICISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CCCC2CCC2)C1	2003012803	CGCHJZNCQASFSD-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@](C)(O)[C@H]1CCCC(C)(C)C1	2003023815	YUOZAUYPUAGIEO-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)N[C@H](C)[C@H]1CCC[C@H](C)C1	2003028093	SOULHSMMRJDAIL-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CCN[C@H]1CCCCCC[C@@H]1CCCC(C)C	2003100288	QQSYBARXIFRMLK-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1CCCCC(F)(F)C1	2003175647	MJSWESQJVMCBOD-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@H](C)CC(C)(C)C	2004234692	SOIFCDUUOKDVGY-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CC=C[C@@H](NCCC)C1(C)CCCCCCC1	2004923536	RSBYLBDKTBGXKA-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CO)CCCCC1(C)C	2005584757	YWNUKLUIGUGFGW-MRXNPFEDSA-N	238.415	4.702	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@H](NCCC)[C@H]1C	2006978259	ICLDMAWTONTYSM-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCC1(CC)CCC(O)(C=C2CCCC2)CC1	2007924158	DFFMLLUFEOGQCC-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)C[C@@H](C)C(F)F	2008581723	NLUXLQKFHSPQNU-FRRDWIJNSA-N	249.389	4.615	0	10	BJAE	
CCC(C)(C)C1CCC(C[C@H](C)CCO)CC1	2008716111	MEKWCVFUFLLSIL-WLYUNCDWSA-N	240.431	4.638	0	10	BJAE	
Cc1scc([C@@H](N)C2=CCC(C)(C)CC2)c1C	2010741486	BCHCFCVAOWIQLJ-AWEZNQCLSA-N	249.423	4.501	0	10	BJAE	
Cc1c([C@H](N)[C@@H](C)C(C)C)sc2ccccc12	2014292015	JPVUUHYAKYILGR-IINYFYTJSA-N	247.407	4.502	0	10	BJAE	
CC(C)C(C[C@]1(O)CCCC(C)(C)C1)C(C)C	2015280857	IXJLMRIFVHBPAI-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H](C)C(C)(C)C)CCC1	2015640441	RXVUPOIPILQQGO-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CCC[C@H]1CC1(C)C	2016146445	WUJAEYWTKLETQE-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC1CC(C)(C(=O)CC2(C(C)(C)C)CCC2)C1	2017127419	OGNGZFDOLIKHTQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C[C@@H](O)[C@@H](C)CC(C)C)CC1	2017648346	MOCSDWCIAVLZCF-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@H](O)C[C@H]1CC[C@H](CCC)CC1	2017650382	GIJCEDFNKQZHGH-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CCCC1CCC(CCCNCC(C)C)CC1	2017729454	WYCMVSLSXVALLH-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(CC(=O)[C@H](CC)C(C)C)CC1	2017772876	SQAHEZFXJLSMLA-YMAMQOFZSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@H](CC)NCCCC1CCCC1	2018138992	NEEZJXWUNXLQID-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCCC[C@@H](CC)NCCC(C)(C)C1CC1	2018139210	PGCCZSURZGLFSU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1C=CCCCCC1	2019120874	BSFHSNYZBALKSD-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CC1CCC(C)CC1	2019160317	BVYMCGZIBVTFBH-HWOWSKLDSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1ccc2sccc2c1	2022414987	OSYDZRUZFBLMHT-GWCFXTLKSA-N	244.359	4.520	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1C[C@@H]1C(C)(C)C	2022561998	XXDQSDVIPUYARV-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CC[C@@](O)(C[C@H]2CCCC(C)(C)C2)C1	2024128074	JTJMEARBDHLMER-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@](C)(O)C[C@@H]1CCCC(C)(C)C1	2024128627	OAOCQPFEEYEYJA-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CC(C2CCC(C(C)(C)C)CC2)=C[C@H](N)C1	2028113646	ZGGPDGCNWQZLRA-FKFRUQKQSA-N	249.442	4.523	0	10	BJAE	
C(CCN[C@H](C1CCCC1)C1CC1)CCC1CC1	2028627843	HOUWYIKRPUCCOO-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21	2028785509	DKSPGFDWVVLHKJ-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCC1(C2CCCC2)CC1	2029735689	FTPAUTXHPKLANW-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@@]12CCCC[C@H]1CCC2	2032484828	VMCPZAKMSMHDMT-PNBKFKSVSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2[C@@H]3CCCC[C@@H]23)C1	2032776136	MFGDMTMNMKDTKU-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](C[C@@H]1[C@H]2CCCC[C@H]21)C1CCCCCCC1	2032819909	BWYKJNPCMLTIAW-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C[C@H]1C=CCC1	2035596618	DALAFKMXQOFIAO-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)[C@H]1CC[C@@H](C)C1	2037676711	XMSOZGUZTJMNKE-HIFRSBDPSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@H]1CCC2(CC2)C1	2038571639	LEIRWEIUJZGWAI-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C(CCC1CC1)CC[C@H]1CCCC[C@@]12CCNC2	2038649722	OFAXRLRCPKILFG-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CCC1(CNC2CC3(CCC(C)CC3)C2)CCC1	2038932598	GEECZRKVWQMGKY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCCC1)NC[C@@H]1CC12CCCCC2	2039092095	NBVILOJDZCDRES-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)c(C(=O)[C@H]2CCC[C@H](C)CC2)c1	2039379187	ZGTOJKPRHVMICW-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@H]1C(C)=CCC[C@H]1C	2039433394	BMEWHPVTJBQBRK-UHDSXZAQSA-N	249.442	4.523	0	10	BJAE	
C[C@H](NCC12CCC(CC1)C2)C1(C)CCCCC1	2039865511	PQYQIGJMDZEINA-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)C(C2CCC2)C2CCC2)C1	2040142032	MCCKEUHXILIXHC-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
CC1CCC([C@H](C)NC[C@H]2C=CCCCC2)CC1	2040630319	LFKQLDWFLPGATP-YZUHTNEWSA-N	249.442	4.537	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)c1coc2ccccc12	2040721291	LEPXOCUCAWHLLL-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2CC23CCCC3)CC1	2047006041	XQDYYOKAZUVFJT-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H]1CCC12CCC2	2047941385	BYXSVOBKNOTLLY-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C2=CCCCCCC2)C1	2049496506	UXESXFOFGFBKLQ-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](N)c1ccc(C)cc1	2050426726	PYOMZBJOBCGGJO-RDJZCZTQSA-N	247.426	4.991	0	10	BJAE	
Cc1ccccc1[C@H](N)CC[C@H](C)CC(C)(C)C	2050459317	VUORHSNGLQLPSU-XJKSGUPXSA-N	247.426	4.847	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@@H](C)C1(C)CCC1)C2	2052351405	HCVSOHPLRBHHTQ-WDCUWTOYSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cnccc1C(C)C	2053856387	MCKSEURBSLBISD-HIFRSBDPSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@@H]2CCC=CCCC2)C1	2055114535	PWTKPDIQFXYGJS-ARFHVFGLSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H](C)c2cccc(C)c2)CCC1	2055543175	YBTRETHSVFBVPK-WBVHZDCISA-N	243.394	4.535	0	10	BJAE	
CC1=C[C@@H](NC2CCC3(CCCC3)CC2)CCC1	2055549572	MDJDOHNLLYPGNQ-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
CC1CCC(C)(C(=O)[C@H]2[C@H]3CCCCC[C@H]32)CC1	2056537580	XRNGNFMWNCGFTD-ZTPJQAPRSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@]1(N)C=C1CCCCC1	2056920873	UYHGMVCWDOIRBW-OIISXLGYSA-N	249.442	4.667	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC2CC2)CC[C@H](CC)C1	2059258549	HNFPNSMQQFOKIY-VFYPNZCPSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CC[C@H]1CCCC[C@H]1C2	2059467517	RCZNOTRJLMEUOV-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CCC1([C@@H](N)C2=CC[C@@H](C(C)C)CC2)CCCC1	2061152000	XCDCKMBOFUSYLF-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
c1cc2cc(CC3CC(=C4CCC4)C3)ccc2[nH]1	2061681764	DAYPVTRRGIUSPS-UHFFFAOYSA-N	237.346	4.601	0	10	BJAE	
CC(C)c1ccc(C(=O)CCC[C@H]2C[C@H]2C)cc1	2062624921	MMFBWERAFSLKPQ-CJNGLKHVSA-N	244.378	4.819	0	10	BJAE	
CCN[C@H](CC1CCCC1)C12CCCC1CCC2	2063821943	MVCFLGOQACMZOB-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCCCCC1)CC12CCC(CC1)C2	2065280554	WIYLYABLHLAYFW-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCCCC(C)(C)Nc1nccc2ccccc12	2066392054	GFMPLEILFMOATP-UHFFFAOYSA-N	242.366	4.616	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1C[C@H]2CC[C@@H]2C1	2068799383	IGDKAVJCEQTAPM-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@H]3C[C@@H]2C3)cc1	2069219545	CFVPREUBBBHDLP-DVOMOZLQSA-N	243.394	4.585	0	10	BJAE	
CC1(CNC[C@]23CCC[C@@H]2C3)CCCCCCC1	2070802084	WTWLPGULEGQMCE-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1C)C1=CCC(C)(C)CC1	2071510943	LLHHQNBNFMXZOF-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CC[C@@H]2C2CCC2)CC1	2072796125	LTMNXAVBIBOMOC-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H](N)c2ccco2)CC1	2072804539	SZCHYYPDLKUWCH-KKUMJFAQSA-N	249.398	4.666	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CC=CC[C@H]2C)CC1	2072805305	AVEQAHFUMNHPHH-VXLLPVPCSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(C[C@@H](NC)C2(C)CC=CC2)CC1	2072808561	HEBDDDAHQQZLMD-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C=C(C)C[C@H]2CCCN2)CC1	2072815820	PPPPZBKRHQIBBZ-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H](CC2(CCF)CC2)c2ccccc2N1	2074623630	JLNRKOZWWKTOIQ-QWHCGFSZSA-N	247.357	4.504	0	10	BJAE	
CCN(C[C@@H]1CCC[C@H](C)C1)c1cccc(C)c1	2074857160	PJUHCGSQDQTYDL-GOEBONIOSA-N	245.410	4.648	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)C[C@]1(C)C=CCCC1	2074905123	FWVVWGJVVFPYGG-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
C[C@H]1CCC[C@H](N(C)CCC2=CCCCC2)CC1	2075145317	FNOSBJGLTPMCSS-RDJZCZTQSA-N	249.442	4.778	0	10	BJAE	
C[C@H]1CC[C@H](CN2CCCC23CCCCC3)CC1	2075304697	FPSBZTYQRQTXBU-WKILWMFISA-N	249.442	4.611	0	10	BJAE	
CCCCN(C1CCC1)[C@H]1CCC12CCCCC2	2076760576	WOZISJHRMZQGPG-INIZCTEOSA-N	249.442	4.754	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN[C@H]1CCCCC12CCCC2	2079449407	CFFIZNXUTCTNIR-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1cccc(C2CCC2)c1	2079477450	UAPFBTQYDIEEBU-ZBFHGGJFSA-N	242.362	4.573	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H]1C1CCCCCC1)C1CCC1	2079533378	WNISUWPZKPZDJN-YESZJQIVSA-N	249.442	4.514	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1C[C@H]1C[C@@H]1C1CCCCCC1	2079662355	UWWPFEKGBFWXFR-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)c1ccccc1C	2086050657	NNDDJLOUSQUFBH-YOEHRIQHSA-N	247.426	4.862	0	10	BJAE	
c1ccc2c(c1)CC[C@H](c1ccccc1C1CC1)N2	2088952310	FPWYAWIUGISAAO-GOSISDBHSA-N	249.357	4.663	0	10	BJAE	
CCc1cc(Cl)ccc1NCC1(CC)CC1	2212630804	GRKOXDXNOXNMOU-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(Cl)cc1CC	2212645923	ZPNFVEWYCCPWHL-CYBMUJFWSA-N	239.790	4.893	0	10	BJAE	
CCCC(=O)CCC[C@H]1C[C@H]2CCC[C@@H](C1)C2	2213301208	ZLHBERUZDYZULJ-QDMKHBRRSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@H](C)NCCCCCCC1CC1	2213572657	YTMIGSMYWKBMNG-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@H](CC)N(C)CCCCCCC1CC1	2213594799	DMUHCLBHOORVIH-MRXNPFEDSA-N	239.447	4.857	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@]1(C)C[C@@H]1C	2214995646	ATYARFTUKMVGPM-BONVTDFDSA-N	247.769	4.649	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)c1cc(C)sc1C	2215426032	JOJZGNLMLDVFFI-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CCC1(C[C@]2(N)CCC[C@H](C(C)(C)C)C2)CC1	2216250649	BNVPEDBSMLDOAT-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(CCCC2CC2)C1	2216259116	SHISFGOGZLFFBZ-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@]1(CNC2CCC2)CCC[C@@H]1C	2217124860	KXQDSLAKVRQHHM-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC1CCCCC1)C(C)C	2217145941	UVPAAJLKFATGKG-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC2(CCCN2C2CCCCC2)CC1	2218017211	IJGBXINLYFROAQ-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218333474	PERYHTYDYOBHLN-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@H]1CCC2(CC2)C1	2218727093	SWHHPMQXBODPMT-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C(CCCN1CC[C@@H]2CCCC[C@H]21)CCC1CC1	2218731275	JOQHVAHZBJDRIF-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C[C@@H]1CC12CC2	2220032015	ZZUZJOMCJNTHDC-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2220959324	KJPBFZLNAODXON-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2220961862	OTIRYHHFJMMBJP-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C[C@@H]1CC[C@H](C)C1)[C@@]1(C)CC=C(C)CC1	2221634030	WZULDGFALMIREO-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2CCC[C@@H](C)CC2)CC1	2221642759	IXRSVDLMGSRTKQ-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CC[C@H]2C[C@@H]1C2	2223114469	TYOVTCZMUXORSQ-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
c1cc(CC2CC(=C3CCC3)C2)c2occc2c1	2224191373	YNDARYMSIQXTOO-UHFFFAOYSA-N	238.330	4.866	0	10	BJAE	
CCC(CC)(CC)C(=O)CCCC[C@@H]1C[C@@H]1C	2247168859	BAHMKXYNAFFTPX-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@H]1CCC1(C)C	2247316870	ZQNFWPLVDZFHLU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C[C@H]1CCC1(C)C)NCCC	2247414522	LUFOFEAGWHEFOJ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C1=C(CNc2ccc3sccc3c2)CCCC1	2247497671	UATRWUCDUKWYHM-UHFFFAOYSA-N	243.375	4.814	0	10	BJAE	
C[C@@H](SCC1=CCCCC1)c1ccc(N)cc1	2247545595	MBNRAYBRKYZQST-GFCCVEGCSA-N	247.407	4.563	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](O)C1CC=CC1	2250477194	VEDVNTUIQKVGPB-GDBMZVCRSA-N	238.415	4.556	0	10	BJAE	
Cc1cc(C)n(CC[C@H](C)CCCC(C)C)c1	2250489134	VPKGALGRFZZMJX-CQSZACIVSA-N	235.415	4.957	0	10	BJAE	
CC(C)CCCN[C@@H]1CC(C)(C)CCC1(C)C	2251668414	ZLINTLRTWWGWNY-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC1CC(C)(C[C@]2(N)C[C@@H]3CCCC[C@@]3(C)C2)C1	2253683094	IRSNJYWWQGBOEO-SSNHOHEISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C1(C2CC2)CCCC1	2254505821	NXXDDWHSPAVAMF-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCN(C[C@@H]1CCC12CCC2)C1CCCCC1	2254917028	UTCKGBWIPJXDPM-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC1(C)C)[C@@H]1C=CCCC1	2254972534	KWCUVWPKVVAHLL-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
NCC[C@@H]1CCC[C@@H](CC[C@H]2CCCC23CC3)C1	2255233570	NENPUUAACKNHSD-HRCADAONSA-N	249.442	4.502	0	10	BJAE	
N[C@@H](CC[C@@H]1CCCC12CC2)CC1CCCCC1	2255291251	NLHHXCNHSNWCBO-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)C[C@]12CCC[C@H]1C2	2257247384	KENZADOJVRZAMT-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)O[C@H]1CCNc2ccccc21	2258835350	KRLTVVOVKYSIBM-BBRMVZONSA-N	247.382	4.529	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](C)c1ccc(C)cc1C	2259462533	IMVQIJYZCYPNTE-HZPDHXFCSA-N	247.426	4.780	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@@]12CCCC[C@H]1CC2	2260485317	DMXIRBSJILNKER-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C[C@@]12CCCC[C@H]1CC2	2260606153	PUFRIOTXZLYSOS-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NCC1(C[C@]23CCC[C@H]2CC3)CCC1	2260652353	QXNDAPIHTVZIBR-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@H](NCC2CC(CC(C)(C)C)C2)CC1	2261182349	QJCYHOVDAJDSNQ-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@H]1C=CCCC1	2300675620	GVQYKCLMQNDYTN-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1CCCC(C)(C)C1	2300682227	WXUSVBFWMDSOML-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C(C)(C)CCF	2300691120	PVDASCZLSQSKAN-AWEZNQCLSA-N	245.426	4.567	0	10	BJAE	
CCC(C)=CC[C@]1(CNC(C)C)CCC[C@H]1C	2300860392	HAPZJRORHDDTET-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@]1(O)C=C(C)CC1)CCCC(C)C	2300910710	BWPVQMOPKYSERQ-MRXNPFEDSA-N	236.399	4.620	0	10	BJAE	
C[C@@H]1CC[C@@](O)(CC2CCCCCC2)C[C@H]1C	2301138788	ZZUSDFGQVZJACM-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)C[C@H](C)S[C@H]3C	2301728689	BYLKCLUWTBSIGD-QWRGUYRKSA-N	245.391	4.524	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1CCC(C)(C)C1)NC	2302674763	DUMQLWKDDILDSX-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CSc1ccc(NC[C@H]2CCC(C)(C)C2)cc1	2302677930	DKXXNXSTZYFCBR-LBPRGKRZSA-N	249.423	4.647	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCCCCCC2=O)C1	2302762610	DULBSBKOICIGRQ-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@@H]2CCCC[C@H]21	2302892509	MFBCATVCYYDPOT-BFHYXJOUSA-N	249.423	4.691	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@@H]1CC[C@H]1C(C)(C)C	2303464225	CSLSNBLQUZCKKF-SQWLQELKSA-N	239.447	4.604	0	10	BJAE	
CCNC[C@@]1(C[C@@H](C)CC)CCC(C)=C(C)C1	2303469727	SDVYSMDLSGNKKI-XJKSGUPXSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@H]1CCC(C)=C(C)C1	2303601486	PWEKSMOCCBORRX-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC[C@@H](C(C)C)C1	2307874432	GRKMCBKOQBFNJB-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCC1	2311480396	WFKNVDLJPHUATN-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@H]1CC[C@@H]2C[C@H]12	2312595563	LGHAGKVGSKHKJL-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](N)(C[C@@]12CCC[C@@H]1CC2)[C@H]1CC1(C)C	2313349022	QSOHPTKZAPMOHH-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C(CC1CC1)CC1CC1)C1CCCC1	2313635336	QSWAQIIGNXXDFN-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1cccc(C2CC2)c1	2316240810	YOWVRMRLEQQZKT-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@]12CCC[C@H]1CC2	2317910204	FPOKEVDYYPMNMR-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@H]2C[C@H]2C1	2317929626	ZUUMRFJLOKLCMF-SGMGOOAPSA-N	247.357	4.550	0	10	BJAE	
COc1ccc(CCCC2=CCCCC2)cc1F	2318566756	AJLZHQFPUJNWID-UHFFFAOYSA-N	248.341	4.657	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)C1(C)CCCC1	2318590062	XATUFVQJMOLXIJ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CC[C@@H]2C2CC2)C(=O)C1	2319731701	WFBVQMRNKUSIKV-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)CC2=CCCCC2)CC1	2320402391	RONHHFVELUGZFZ-DLBZAZTESA-N	247.426	4.731	0	10	BJAE	
CC1=C(C)C[C@@H](NC[C@@H]2CCCC(C)(C)C2)CC1	2320411582	KNHIZOPVMLBWJN-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C[C@@H]2CCC2(C)C)c1	2320524371	XWTIUNSQTOTHQU-HOTGVXAUSA-N	245.410	4.636	0	10	BJAE	
CCCCCCc1ccc([C@@H](C)[C@H](C)CN)cc1	2327903578	RTMZPDUNGBJDSA-CABCVRRESA-N	247.426	4.508	0	10	BJAE	
CCC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1	33466485	LXCYFZCAGHPSKF-UHFFFAOYSA-N	238.330	4.563	0	10	BJAE	
CCCCC[C@@H](NCCCC)c1ccccc1	37197970	FROHSAOZJLCAHD-MRXNPFEDSA-N	233.399	4.698	0	10	BJAE	
CC(C)CC[C@H](C)NCC[C@@H]1CCC[C@H](C)C1	70537649	VSGDLXUGIUAUKB-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)C(C)(C)C	71083950	VWAHMRYDCWKJOJ-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2CCC(C)CC2)C1	71154695	MBSCDKJLPMBYDO-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CNc1c(C)cccc1C(C)C	83360398	OEQYOWRBWFXBIS-UHFFFAOYSA-N	233.399	4.967	0	10	BJAE	
CCCC(=O)CCC[C@H]1CCCc2ccccc21	83820522	BHJGQVXCLPYRPS-OAHLLOKOSA-N	244.378	4.646	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)[C@H](C)C2)c(C)c1	84981186	YLPIEAPVABRACJ-GZBFAFLISA-N	231.383	4.540	0	10	BJAE	
CCC1CCC(C(=O)c2ccc(F)c(C)c2)CC1	85078731	DPXDQBLGTLSPBU-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCCC(C)(C)CC1	86907306	SAQCEECWQPXMGN-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@H]2CC=CCC2)cc1	88746546	HDRFLOTVXBVKDM-PBHICJAKSA-N	243.394	4.569	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)c1cscc1C	94247394	IUAPXJGLTLDAFI-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
C[C@H](Nc1ccc2ccccc2c1)C1CCCC1	104027627	XSNIAJMXYCNYOE-ZDUSSCGKSA-N	239.362	4.830	0	10	BJAE	
CC(C)C1CCC(N[C@@H](C)c2ccccc2)CC1	109746276	YAALGTDCMZILDF-UQPPLGOBSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H](N[C@H](CC)C1CCCCC1)c1ccco1	109951497	PLPGOLIGAWFUKQ-HUUCEWRRSA-N	249.398	4.679	0	10	BJAE	
CCCc1cccc([C@@H](N)C[C@H](C)C(C)(C)C)c1	131591347	QEAXZDWZMVYHMR-BBRMVZONSA-N	247.426	4.711	0	10	BJAE	
CCC1CCC(C(C)(C)CCNC(C)C)CC1	133937582	VOZDZTRNUQSILZ-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCNCC[C@@H](C)c1ccccc1	134287632	DWWBCDXVGCFEMU-MRXNPFEDSA-N	247.426	4.596	0	10	BJAE	
C[C@H]1CCC[C@@H](N[C@H](C)C2CCCCCC2)C1	149984361	AQIRXCMTEGZJAG-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](CCC1CCCC1)NCC	158481132	VRSWLKUTIWDEFK-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCc1cccc(C(=O)[C@H]2CCC[C@@H](C)C2)c1	165529131	PUFAALDEQVUHIG-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
CCCCC1CCC([C@H](CC(C)C)NC)CC1	168106091	QURVMJCTVYZPNA-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CSc1ccc(N[C@H]2C[C@@H](C)CC[C@@H]2C)cc1	221618687	SLLHRWKWPVXCMD-HUBLWGQQSA-N	249.423	4.645	0	10	BJAE	
CCC[C@H](C)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O	222609225	HMMJAJDKVSTQAD-BARDWOONSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CCCCC1(C)C	225986422	NLYFRJUURGVOLA-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2C[C@H](C)CC[C@H]2C)c1	227003638	UEHTUPVYUCDLGJ-XNRPHZJLSA-N	231.383	4.540	0	10	BJAE	
Cc1sccc1[C@@H](O)C[C@@H](C)CC(C)(C)C	227919369	ZRXLLZYXXFLEQI-MFKMUULPSA-N	240.412	4.552	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCC23CCCCC3)C1	230174990	GOZUHPJTJYPCLF-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](C)[C@@]1(N)CCC[C@@H](C(C)(C)C)CC1	233343344	BPOZVRVNXDVASL-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CC(C)(C)C[C@@H]2C)c(C)c1	235543518	MEWDAYUWRIZXND-GJZGRUSLSA-N	245.410	4.848	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@@H]2CCCC[C@H]2CC)C1	251549040	HVGWZQRAURCQOI-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](NC)[C@@H](c1ccccc1)[C@H](C)CC	252895431	AIFPLIRRFJMCDY-HYVNUMGLSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CCC1CCCCC1	302244384	HFKYDLLMOOMLRK-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CCc1ccc(N[C@H](C)c2ccccc2)cc1C	302325387	QWXJIPBCXGGOSQ-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
CCc1cc(Cl)c2scc(CC)c2c1	307354506	RFESTWKKRUTKAD-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CC1CCC1)NCC	308046475	HOHPHGKLSIZCRX-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2C=CCCCCC2)cc1	310655651	PNNHHTQMESFHRD-DOTOQJQBSA-N	243.394	4.535	0	10	BJAE	
CCC1(C[C@@H]2Nc3ccccc3C[C@H]2C)CCC1	310950164	LVWULMFKJMJRIC-CJNGLKHVSA-N	243.394	4.630	0	10	BJAE	
CCC[C@](O)(CCC1CCCC1)C1CCCC1	313463346	JMGZXUJTIZWDQN-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](C[C@H](C)CC(C)(C)C)NC	319605665	XUYPMAKRKACELA-ZQDZILKHSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(O)CCC(C)(C)C	379729053	FYIATUAQNYXAGX-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC2CCC(C)CC2)C1	380023228	DUONTFISFAJFDO-BHDPWAOGSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC3CCC2CC3)cc1	381992185	KQTDACVDCRRKMY-VMBOVVBDSA-N	243.394	4.630	0	10	BJAE	
CCC[C@H](Nc1ccc2sccc2c1)C1CC1	383343826	SLSSNWDEFAIYOJ-AWEZNQCLSA-N	245.391	4.892	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H]1CCCC[C@@H]1C	384519023	JKGASNLECXVAGQ-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H](C)C(C)C	385824600	SDGUJDVTBXMKGT-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@H]1Cc2ccccc2N1	386606106	MBFZQNLPUQEOAS-QGZVFWFLSA-N	237.346	4.519	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@H]1C[C@H]1CC(C)C	388177770	IXKYNXTZFLWWNN-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC1(CCNCC2(C)CCCCC2)CCCC1	394595755	NCVNLHHCBDEFNP-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC(C)C/C(=C\C1(C)CCCCCC1)[N+](=O)[O-]	394631750	ILYLGCFNDDIHRM-ACCUITESSA-N	239.359	4.554	0	10	BJAE	
c1ccc2cc(NCCCC3CCC3)ccc2c1	688405543	NLQRYQRGVCQAKZ-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
Cc1ccsc1CNc1cccc(C2CC2)c1	690164193	KVOBGKRQQLDQPX-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H]1CCC1(C)C	690189376	PCEVKWPFHLUZIW-OAHLLOKOSA-N	245.410	4.720	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1cccc(F)c1Cl	690308106	RBXGZQXHMLKGFV-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
CCCCCC[C@H](NCC)[C@]12CCCC[C@H]1C2	693169501	FQMMDOSKCVUSMZ-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H]1CCC12CCCCC2	693800967	BOLJAMYVLXPHQV-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1CCC2(CC1)CC2	696647959	WUGHDUIUEFTZBP-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC[C@@H]1CNC(C)(C)C	696805225	HAAZICIMAZFWOW-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cc2ccccc2s1	701248139	CUCULHHXKJEWSE-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)CCC1=CCCCC1	704554948	BRPMQJNYASZNCV-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H]([C@H](C)CC(C)(C)C)[C@H](C)[C@H](C)CC	708284102	QRTDMRKJKQQTIO-KBUPBQIOSA-N	241.463	4.719	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@]23CCCC[C@H]2C3)c(F)c1	709137287	ZANHBQWVONMMAG-WWGRRREGSA-N	247.357	4.515	0	10	BJAE	
CCCC(N)(CCC)C[C@H](C)CC(C)(C)C	709200319	JAKOEKHYKQSEGJ-CYBMUJFWSA-N	227.436	4.747	0	10	BJAE	
CCN[C@@H](CCC1CC1)C[C@@H](CC)C(C)(C)C	711066911	HCGUULUVCFPSIL-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@H](CC1(C)CCC1)NC)C(C)(C)C	711093996	LGWKMSBZXNVNJG-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc2ccn(C[C@@H](C)C(C)(C)C)c2c1	711144801	GPSQQIOAAWHHNN-CYBMUJFWSA-N	229.367	4.632	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@H]1CC=CCC1)C(C)(C)C	711199320	RVZTZQRLZSVVNL-RRFJBIMHSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](C[C@@H](NC)C1=CCCCC1)C(C)(C)C	711212683	KUXJHFZDJNOJAX-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(N[C@@H]2CC[C@H]3CCCC[C@@H]32)CC1	714314015	FHWZBSQYTFPZBR-QTPCEWDRSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)C[C@@H]1N)CC(C)(C)C	717530069	UQZVUAKUQCXZRT-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@@H](C2CC3(CCC3)C2)c2ccccc2N1	717543369	PAJDIWOSTBKJBU-DOMZBBRYSA-N	241.378	4.555	0	10	BJAE	
CCCNCCC(C)(C)CCC(C)=C(C)C	718496000	PVYZOFWXOKZTOC-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1CCCC1(C)C	718597127	YZGOMAFRCXMYSJ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CCCC(C)(F)F)C1	718669372	UQRPAYWLCJOFLZ-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CC(F)(F)CCC[C@H](O)CC1CCCCCC1	718704137	OVRVUIKZZQRNGS-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CCCCCC1(C)C	719204475	SYLSHRJAUFIRPV-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1ccccc1Cl	1201331298	MYXFQNVXXDTHRF-STQMWFEESA-N	249.785	4.744	0	10	BJAE	
CCCC[C@H](C)N(C)C[C@@H](C)CC(C)(C)C	1643311862	CCAXUYMVOVDDLI-KBPBESRZSA-N	227.436	4.569	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CNC1CCC2(CCC2)CC1	1655473507	CAXAFABUKWYHPR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(C)=CCCNCCC	1880414729	ZEEPYDBBUBTEEG-INIZCTEOSA-N	239.447	4.929	0	10	BJAE	
CCCC(C)(C)[C@@H](CCC(CC)CC)NC	1900711429	DNJHPFAZWVWGSC-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(C)=CC[C@@H](N)C[C@H](C)CC(C)(C)C	1900855332	RWKGAGCBOPEYKV-UONOGXRCSA-N	225.420	4.523	0	10	BJAE	
CCCC(CCC)C(=O)[C@H](C)[C@@H](C)C(C)C	1901628569	XGDLJOSKTSBZAV-QWHCGFSZSA-N	226.404	4.700	0	10	BJAE	
CC(C)=CCC(=O)CC[C@H]1CCC(C)(C)C1	1903414789	GZQWNUPOVHJUTC-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCCN[C@H](CCC1CC1)C1CC2(CCCC2)C1	1912613212	DTDKLRJOHCYIDD-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](CC)(CCCF)CNCC(C)C	1913254096	UYRAMCUIVKIUBN-HNNXBMFYSA-N	245.426	4.568	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCC2(CCCCC2)C1	1915879981	LEHBAVJTYMAIJK-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H]1CCC2(CCCC2)C1	1916416170	WYBKVZPORKKQHO-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC1(C)C[C@H]1CCOc1cccc2sccc12	1921469270	JYTZMHOPDMNBDF-LLVKDONJSA-N	246.375	4.716	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC[C@@H]2CC2(C)C)CC1	1921548283	FMINPSDRYNUGCY-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c(NC2C[C@H]3CCC[C@H](C2)C3)c1	1923466898	ZYNVPGVRXZCNTD-GJZGRUSLSA-N	243.394	4.684	0	10	BJAE	
CCC(CC)CCN[C@H](CC)C1CCCCC1	1926159167	HBLPSQNAXRBUNX-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccc(NCCC(CC)CC)cc1	1926163024	VQBXFUDVBABYQU-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CCC[C@@](N)(CCCC1CCC1)C(C)(C)C	1936343760	KOFQWHCLVROJQL-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(OCCCC(C)(C)C)c(Cl)c1	1936607434	YARSSAQLCDVNSL-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(O)CCCC1(C)CC1	1940870503	UJJXQZBCWKWXAO-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](N)CCCCCC2CC2)C1	1941586879	NMIQBDQEBFAKRR-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC1(C(=O)CC2CCC=CCC2)CCCCC1	1941796640	JASJJQQJDQUCMH-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H](CN[C@@H]1CCCCCC1(C)C)C(C)C	1941929997	WEWZBKBZIZFYCE-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CCN[C@H]1CCCCCC1(C)C	1942800751	GMIXBGBXOJTMOU-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC1C[C@H](C)C[C@@H](C)C1	1944173969	DKVSZLAEWXFIOM-UMVBOHGHSA-N	239.447	4.602	0	10	BJAE	
CC1(C[C@H](N)C(C)(C)C2CCCC2)CCCC1	1944641282	QBDHROKLULRXDE-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)C(C)(C)C(C)C	1944667454	CUYWHAJRPAKXAV-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCCC(=O)C(F)(F)CC1CC1	1945185502	NRFCLIXIHOJRDY-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC1(NCCC(C)(C)C2CC2)CCCCCC1	1945617717	UPKDLRKASUTWCW-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CC[C@@H](C)[C@H]1C(C)C	1947525116	OGDXFPJXYFDXPR-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
Cc1ccc(Cl)c(-c2ccc(N)c(C)c2C)c1	1949220931	OTSNTLXLMFTPFE-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC[C@H]1CC)C(C)(C)C	1949825438	MIWOYULFWOAGES-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C)c1ccc(C2=CC[C@H](C)CC2)s1	1950561196	STYODZDCFVEXJG-RYUDHWBXSA-N	249.423	4.622	0	10	BJAE	
CC1(C)CC[C@@H](CN[C@@H]2CCCC23CCCC3)C1	1967717024	RCOUTFLOQKZXRJ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccc(C2(C)CC2)cc1	1967842365	IALGNLUZOZLBRF-AWEZNQCLSA-N	245.410	4.975	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CCC[C@H]1C	1968598407	XTCMGIDVKIEVLN-IUODEOHRSA-N	231.383	4.719	0	10	BJAE	
CCCCC1CC(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1	1970678281	GDXHOTFPVFWNPA-RZFLTCLSSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)C1CCC1	1970682260	ZTHQXMNNYPZUMQ-SVGFKBNWSA-N	249.442	4.514	0	10	BJAE	
CCC(F)(F)CCC(=O)C(CC)(CC)CC	1978449615	ASFMSPNMOGDFHH-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
Cc1cscc1NC[C@H]1CCCC(C)(C)C1	1980264234	FNRNCEDLOBEYSD-LBPRGKRZSA-N	237.412	4.685	0	10	BJAE	
CC(C)[C@H](C)CCC(=O)c1cccc(Cl)c1	1988294137	ZSSHNORVEOFPQX-LLVKDONJSA-N	238.758	4.595	0	10	BJAE	
CC=C(CC)[C@H](CC(C)(C)CC)NCCC	1992046628	KLKDALBNDRTASH-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC1CCCC1	1995253526	INBCYJNPMVLQAD-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@@H]2CC=CCC2)n1	1995444833	PNISNCYSKHVORQ-VXGBXAGGSA-N	235.396	4.555	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@](C)(O)C1(C)CCCCC1	1995990733	JPXALIVGZKKVMV-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCSc1ccccc1N[C@@H](C)CCC1CC1	1996364456	VPTAKCLKTKHAQQ-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](CC)C1CCCCC1	1996588077	BXPCEMDKIMAWOT-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC[C@](N)(CC(C)(C)C(C)C)C1CCCCC1	1996588447	GFBRIJHUFUDIKJ-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)CC1(O)[C@H]2CCC[C@H]1CC2	1997561177	UAJRCLAZSXLQMK-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1CC(C(C)(C)C)C1	1998236318	HPZRXODEGBBDTB-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(NC[C@H]2CCC=CCCC2)cc1	1999991858	CWCMANUANLIBMR-HNNXBMFYSA-N	229.367	4.543	0	10	BJAE	
CC(C)NC[C@H](C)CC[C@H]1CCC=CCCC1	1999994838	YRZSBTISEWRIOK-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2CCC(C)(C)C2)C1	2000101818	LEJIEEFWYSMBIB-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C(C)(C)C2CCC2)C1	2000103921	BBSCUADHCBBZBD-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(CCC=C(C)C)CNC(C)C	2000482456	CQOSJZZBKGTDCA-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)C[C@@H]1CC12CCCCC2	2001261955	JRNSVYZBADLLRA-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](N)[C@@H]1CCCCC12CCCCC2	2001579048	RVFQUMLVVPQSDO-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1CCC12CCC2)NC	2001845070	RWMYEINCGHMBHO-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@]2(O)C[C@H]2CC)CC1	2003104834	ZEKPNXDCNZSAPA-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(O)(CCCC2(C)CC2)C1	2009715894	KZINWORKPHOOEZ-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCCC1CC(N)([C@@H]2CCC[C@H](CC)C2)C1	2009788841	FJWPVJDJCQDTRS-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](NCC)C1=CC[C@@H](C(C)C)CC1	2010721555	ZYUQMFCIACMIBK-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@@](CC)(C[C@H](C)CCC)C(C)C	2012424962	HDYPRLFCYZZTGO-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC12CCC(CC1)CC2	2012824616	SMMPEVONPVXSCL-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CCC(C)(C)C1CC1	2013265543	XHZQFFOLLGUPKX-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1C=CCCCCC1	2013320213	SWAWJLWRXGZWAS-CVEARBPZSA-N	237.431	4.680	0	10	BJAE	
CC(C)CCCCCNC1(CC2CCC2)CC1	2015784092	MRTTXEKOMWHOGB-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@]2(C)C[C@@H]2C)CC1	2016300208	ALDPMGVNWRFECV-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@]1(C)C[C@@H]1C	2016386356	JIJRMTAGRPBPDL-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@H](O)CCC(C)C)CC1	2017650966	NYJYFBKBJXPFNH-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C)[C@H](C)NCC)CC1	2017728457	LZSFNRIGMTZUSJ-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@H](O)CCC(C)(C)C)CC1	2017774794	SUDXCHVAWRUZRR-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H]1CCCC(C)(C)C1	2018130040	MKXNFELZQJYGDI-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(CC)C2CCCCC2)C1	2019203253	OCRBFXNKRMTXCL-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CN[C@H](CC=C(C)C)C[C@@H](C)C1CCCCC1	2023327811	NNDHPXLPSDJZQX-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCC[C@H](O)C2)C1	2024115828	FXMACYLOQRZKCK-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCCCCC(=O)c1ccc(F)c(C)c1C	2024308698	CQCFAGHOLABHNS-UHFFFAOYSA-N	236.330	4.596	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NC)C1CC(CC)C1	2026143279	KLAKMLPNHHDWOK-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NCC)C1=CCCC1	2026164349	RZEYPLXKFNWHQE-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)C1CCCCC1	2026165099	YSDAQTFSBQQMSB-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CCCC1(C)CC1	2027833240	ORUXGSCKXDGEFV-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCN[C@H](CC(C)C)c1ccccc1CC(C)C	2028914616	IEUZGHYQYVWXCT-QGZVFWFLSA-N	247.426	4.582	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCC2(C3CCCCC3)CC2)C1	2029741827	JZBNSBFGOHWHAI-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)c1ccc(C2CC2)cc1	2029822177	AMHRNOVCRNLXER-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)C(C1CCC1)C1CCC1	2032485392	ZHLDTYQALZDHBE-SWLSCSKDSA-N	248.410	4.598	0	10	BJAE	
CC1(CN[C@H]2CCC[C@H]2C2CC2)CCCCCC1	2032698007	IBFKPCRNMAZOMA-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@@H]2C2CC2)CCCCCC1	2032698008	IBFKPCRNMAZOMA-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)CC1CCCCC1	2038164202	ISJZUUCJLKXOJI-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
c1cc(N[C@H]2C[C@@H]3CCC[C@@H]3C2)cc(C2CC2)c1	2038612123	XIZZNHVGZDHGKM-SCAQPMJSSA-N	241.378	4.555	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@H]2CC[C@@H](C)C2)cc1	2040173512	URUPDDOYOXVHHA-KEYYUXOJSA-N	246.394	4.670	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@H](C)c1ccccc1)NC	2040717659	VGROHUKVOCAYME-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
Cc1ccc(F)cc1C(=O)[C@@H]1CCCC(C)(C)C1	2045450476	PGADMRQTJLAERA-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC(C)CCCC(=O)c1cc2cc(F)ccc2o1	2045565394	VQVMVQABUCWJSH-UHFFFAOYSA-N	248.297	4.581	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@H]1CC(C)=C[C@@H](C)C1	2046910116	CRLIMDJIALVWCW-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC[C@@]1(C)CC=CCC1	2047718495	OXHFJUPSQHOGFB-WBVHZDCISA-N	247.426	4.601	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048468666	KFNHXPRIBJWCMA-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC(C2(N)CC3(CCCCCC3)C2)C1	2048623865	LJLCJSPORHQBCS-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@]1(CNC(C)C)C[C@H]2C=C[C@H]1C2	2049467862	CWLOUDIWXNSZOP-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
NC1(C[C@H]2CCC3(CC3)C2)CCCCCCCC1	2049858370	OWRKKEQKQXSCEO-HNNXBMFYSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(N)C2CCCC1CCC2	2050012526	RVZWONDKFQTDDP-STXJZCLZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)c1ccccc1C	2050460048	DCPKJMVCRLQSRC-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC2(C3CCC3)CC2)CC1	2051914822	NYBAFHUDLWFAQL-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
NC[C@]1(C2CCCCCC2)CCCCC12CCC2	2053420189	JGFFSODVJMPBPD-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
CC(C)(CC[C@H](N)[C@@H]1CCCCC12CC2)C1CC1	2053421671	XFTWBALZKUBWFN-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CCCC=C2C)CC1	2055668749	FMGHERJXAWBFOL-MRXNPFEDSA-N	249.442	4.824	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@H](N)C1=CCCCCCC1	2056451759	PKIMMUIAHRXSIE-GVDBMIGSSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)CC1=CCCCC1	2059177662	LJSUSHXGEZTOOJ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1c(C)cccc1C	2059248846	BWAWEIYHAVRVIJ-BIENSFFJSA-N	245.410	4.700	0	10	BJAE	
C[C@H]1CC=C([C@@](C)(N)C2CCC(C)(C)CC2)CC1	2060908110	CFWAXSVGUQTXAL-SUMWQHHRSA-N	249.442	4.667	0	10	BJAE	
CCCC1CC([C@H](NCC)C2=CC[C@@H](C)CC2)C1	2060926224	PQSRONWGCUJXSR-RKHAHWSXSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C([C@H](N)[C@@H]2CCCCC2(C)C)CC1	2061094671	HYCIGHCZRTUSFO-GJZGRUSLSA-N	249.442	4.667	0	10	BJAE	
CCC1(C)CC([C@@H](N)C2=CC[C@@H](C(C)C)CC2)C1	2061149163	AQDMVZLKWPOCMX-AKBUMOGYSA-N	249.442	4.523	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2CC[C@]12CCC[C@H]1C2	2061623320	QSJIOXQUDTYUBU-ZQIUZPCESA-N	241.378	4.556	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC2CC(=C3CCC3)C2)C1	2061699946	RSXVRMWFHWPXQH-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
CC1(C[C@@H]2CC(=O)CC3(CCC3)C2)CCCCC1	2063720665	KKVOJTCMZANAOH-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCC[C@@H](NCC23CCC(CC2)CC3)C1	2065263213	VRPSHZQAWDKYGW-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](N)CC23CCC(CC2)C3)CCCCCC1	2065301524	XAGZWCIGHRKWLE-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CCC1(CN(C)[C@@H]2CCC3(CCCC3)C2)CCC1	2069326408	CXBCJCOVNCYQAB-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@@](N)(CC)c2occc2C)CCC1	2069342499	PIHPODVBRXWGGP-INIZCTEOSA-N	249.398	4.513	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC1(CC2CC2)CCC1	2069504647	DILYCWFYXNXTGR-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC12CCCC1CCC2	2070400937	ZRUAPIJJAHANJV-KLAILNCOSA-N	249.442	4.681	0	10	BJAE	
C1CCCC(CCN[C@@H]2CC[C@@H]2C2CCC2)CC1	2071789391	KDYHIMWOEOOROG-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1C[C@H]2CC[C@H](C1)C2	2072426847	VFABVKAZNCIDIU-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(N)CCC3(CCCC3)C2)CC1	2072795599	GJCDPNHHWRAERH-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](C)CC1)[C@@]1(C)C=CCC1	2072797355	YMBSGIPVXMREDW-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC[C@@]12CCCC[C@H]1C2)CC1CCCCC1	2074027410	AOPWURKUQOBPBO-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
N[C@H](C[C@]12CCCC[C@H]1C2)C1CCCCCCC1	2074029600	OKIOWARBNRXSAU-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@@]12CCCC[C@@H]1C2	2074029780	PMEIVPPNXAKYQE-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CC(C)(NC[C@]12CCCC[C@@H]1C2)C1CCCCC1	2074047258	PMCFLBBXSHUDFC-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CC2(CCC2)C1)CC1(CC)CC1	2074634719	UOFPXDDCPGWXJM-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@@H]1CCC12CCC2	2074646256	KMPFGFPGNVNDSW-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC=C(CC)[C@H](O)[C@@H](c1ccccc1)[C@@H](C)CC	2077191175	ZUGPYUARIKZDSZ-XKQJLSEDSA-N	246.394	4.534	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H]1C[C@@H]1C1CCCCC1	2079435849	QXNSTNNWPZMQHV-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C=C1CCC1)C1(C)CCCCCCC1	2080222633	XTPAQDVZANXWSP-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCC[C@@H](C)[C@@H]1C	2081947844	XFLDTSALHKDHER-TYNCELHUSA-N	249.373	4.625	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)C2CC3(CCC3)C2)C1	2082980615	WRKKJQROZBWPKN-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H]2CCCNC23CCCC3)CC1	2083814936	YFNBAMQBHMLJLT-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H](CCCCCCC2CC2)CCN1	2213573226	FMEXNTXCEGGJFP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CCCCCCC2CC2)CN1	2213576165	NJPCPIXZLGLSCO-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)CCCCCCC1CC1	2213578175	JHYQOUKICOWGQZ-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
C[C@H](C1CCC1)[C@H](O)CCCCCCC1CC1	2213583996	YGTBXWHPNWESIP-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C(C)(C)C(C)(C)C	2214573343	LWDRCYYKBOZXPP-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H]1C)CC(C)(C)CC	2214956731	UXXDIYHRPYSOSP-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1=CC[C@](C)(C(=O)c2sc(C)cc2C)CC1	2215808987	ZQLDJYATQMACQS-HNNXBMFYSA-N	248.391	4.684	0	10	BJAE	
CCN(CCCCCCCC1CC1)CC(C)C	2216859563	IQKGZMJKHGRDIK-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
C[C@](O)(CCCCCCCC1CC1)CC1CC1	2216895047	GZKAUOVMBASOEG-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC1CCC(C(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218308888	IAHWZQJVDRLFEO-VBFVWNODSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC(=O)C[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218378715	VEHNMWMHFFJRFL-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218379501	DWGNHYALGYYINY-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)CC=Cc1ccccc1	2219067485	XAULXIMMGORCGU-DLBZAZTESA-N	246.394	4.523	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)C/C=C/c1ccccc1	2219067488	XAULXIMMGORCGU-MXDRFRHJSA-N	246.394	4.523	0	10	BJAE	
CCC[C@](O)(CC[C@@H]1C[C@@H]1CC)c1ccccc1	2220850760	MQELRUBKCNAATI-UXLLHSPISA-N	246.394	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)C[C@H]2C=CCCCC2)CC1	2221626173	RJKURUUONZTNES-ULQDDVLXSA-N	247.426	4.587	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)c1c(C)cccc1C	2222012830	BLVLHBCLFJIZAC-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
CC(C)(C)CC[C@]1(CNC2CCC2)C=CCCC1	2223540675	AZLMPCILULWOGG-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@]1(CN[C@H](C)CC)C[C@H]2C=C[C@H]1C2	2223561067	SAWRTTYXRHPCHO-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@@H]1CCC[C@@H](C)C1)N2	2224126415	XEJIKPBFXBXUMF-SUYBPPKGSA-N	243.394	4.548	0	10	BJAE	
CCC[C@H](CC)C(=O)CCCCCC(C)C	2244783913	QZTRPGYNAUJJJE-AWEZNQCLSA-N	226.404	4.988	0	10	BJAE	
CCC[C@H](CC)CNC(C)(C)CC(C)(C)C	2244796257	LROIOJMAWXBKFF-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](CCC(C)C)NCCCC[C@@H]1C[C@H]1C	2247129223	NDVGPIWXWWCZHB-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)C1CCCCCC1	2247175601	KAEXJOQZQIQDME-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC1(C)C)CC(C)(C)C	2247309173	UNLQLHIZKVJPQU-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)CC1=CCCCC1	2247467522	XWHDGHDGZUPEKN-INIZCTEOSA-N	238.415	4.556	0	10	BJAE	
Cc1cccc(OCCCCC[C@@H]2C[C@H]2C)c1	2248808375	RGOPTZYTZZDXES-HUUCEWRRSA-N	232.367	4.590	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2250351754	GIEBADNUAWCSAB-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CN[C@@H]1C[C@@H](C)CC(C)(C)C1	2250379194	SAFFZOWVDZHHOE-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](CC)C1CCCCC1	2250390645	SOXDMNAUKCBTKO-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)[C@H]1CC1(C)C	2250467219	OPLVVHFWQSOJRP-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@]12CCC[C@H]1CC2	2251195449	LTBJYBRRURYJAY-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1(C)CC(F)(F)C1	2252938416	DHMBVHFZHWXFAD-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC1CC(C)(C[C@H](O)c2ccccc2C(C)C)C1	2253566570	UJAHDZFIUNSYBF-PWZRNIHTSA-N	246.394	4.670	0	10	BJAE	
C[C@H](NC1CC1)[C@H](C)CC[C@@H]1CCCCC12CC2	2253803592	FTNPEZUTCQCYRV-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)C=CCC(C)(C)C2)C1	2253926450	AEUCRLXOKKJGGP-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(CN)CC23CCCC3)C1	2253939669	UWAJFROOWHPLHU-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
NC1(CC2CC3(CCCC3)C2)CCCCCCC1	2254113121	MNXFJBUSAOJEEX-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)CC2=CCCCC2)CC1	2255049113	GVNDICAMLWEWAH-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CC[C@](C)(C(=O)CC2=CCCCC2)C1(C)C	2255061726	DTFVSXHSBKFEKP-SUMWQHHRSA-N	248.410	4.908	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C1CCC(C)(C)CC1	2255100303	NIJSKUCHTYHMEF-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C1=C(CCc2ccnc3ccccc23)CCCC1	2255115438	BENDYGIEGOLRAU-UHFFFAOYSA-N	237.346	4.668	0	10	BJAE	
CC1CCC(C[C@@H](N)C[C@H]2CCCC23CC3)CC1	2255229682	RYXFOJWHSUGVFP-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)CC[C@H]1CCCC12CC2	2255270567	YSNSRUPOQFMIEF-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1NC[C@H]1C=CCCCC1	2256114201	HFXVLBBOVIFKFQ-ZDUSSCGKSA-N	247.357	4.546	0	10	BJAE	
C[C@H](NCCC1CCCCCC1)[C@H]1CC12CCC2	2256410166	KFNCJDZBGVPPCK-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1cc(C)c(C)c(C)c1	2258243330	XJEVLYILRFAMOJ-DOTOQJQBSA-N	245.410	4.993	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@@]23CCC[C@H]2CC3)C1	2260605142	JRHCYZLIXMEJNO-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@@H](C)CC1CCC1	2298896158	NIIOWTPISAYVDX-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CC(=CC[C@H](O)[C@@H]1CC[C@H]1C)CCCC(C)C	2300865160	KAJQGRWJFKIBNU-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@H](C)C1CCCCC1	2300878831	CAQQNGVUZSVZNS-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NC)[C@H](CC=C(C)CC)C1	2300896075	FBPPWNPMYWTNON-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC1CCCCCC1	2301144792	HSJLJIFCRFEVFM-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC1(C)CCC(N[C@@H](C)[C@H](C)C(C)C)CC1	2301715536	XIJAOIRIVSHWOW-QVOMUQBLSA-N	239.447	4.616	0	10	BJAE	
CCC1(C)CCC(N)([C@H](C)[C@@H](C)C(C)C)CC1	2301836391	MEUYVYIVKKXOCC-QRNKSROTSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)n1ccc2cccc(F)c21	2301839242	XYDNGFQDSRZTDE-NEPJUHHUSA-N	233.330	4.634	0	10	BJAE	
CC(C)C(C)(C)C(=O)CCCC1=CCCCC1	2302357022	TYWAMZVGBUHOTE-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CN[C@@H](CCCCC1CC1)CCC(C)=C(C)C	2302570163	UVFFHOCJFKWGTH-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@@H]1CCC(C)(C)C1	2302679380	LOTIDXGOVIXLDI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)C[C@@H]1CCC(C)(C)C1	2302710145	NSEFHDNLBBFUHT-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CC[C@H]1C(C)(C)C	2303445688	SNWNXATYTCAYQY-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@H](C)CC[C@H]1CCC(C)=C(C)C1	2303522427	FCUPDBNSHOUDRI-CJNGLKHVSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](O)C2(C)CCCC2)C1	2304399228	LBFPSPVNJQPDCJ-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)CC[C@H]1CCC(C)(C)C1	2304408331	MMWYYWSMWSGRPP-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
FC(F)CC12CC(C[C@H]3C=CCCCC3)(C1)C2	2304421940	CWMLRBGONWSOKN-GRTSSRMGSA-N	240.337	4.948	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C[C@H]2CC2(C)C)C1	2304434371	IOPCRRBPSSVYQM-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CNCC)CC=CCC1	2307746221	CAXADPWQEGFQCL-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(C2CC2)CCCC1	2307762746	FJHZGMDSRHMNKE-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1CCC(C)(C)CC1	2307824579	WYMSXWRKVAICBR-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCC[C@@H]1C(C)C	2307909921	WJFXXKZRIAXEKH-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](C=C(C)C)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309181858	HMZVRFHRJFLMOK-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC(C(=O)C[C@@]23CCCC[C@@H]2C3)C[C@@H](C)C1	2311163695	QWACQSFJGDOOIC-LBEHMCEESA-N	248.410	4.598	0	10	BJAE	
CCC[C@@](N)(C[C@H]1C[C@@H]2CC[C@H]1C2)C1CCCC1	2312916542	YQIUHYVPMIIJTG-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@@H](C)CC2CC2)cc1	2313697517	DVAQHJPWDPUCOV-ZDUSSCGKSA-N	244.378	4.504	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCc1occc1C	2315882319	CIEKTUPIWSZWFZ-UHFFFAOYSA-N	243.350	4.632	0	10	BJAE	
CCC(CC)CC[C@H](NC)c1c(C)cccc1C	2316247696	HPNGNLUFBWPVLJ-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
O=C1CCCC[C@@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2317006015	BBEXSNZESPSQND-YHUYYLMFSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCCCC1=CCCCC1	2318528975	KWJURZHCPNWRFB-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@@H]1CC[C@H]1C1CC1	2319582015	STTNJYDCPOQOOP-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@H]2CCCC[C@@H]2C)CC1	2320333739	JMJLDIJMANRENN-ORQFMDKSSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CC1=CCCC1)c1cccc(C(C)C)c1	2320518205	ZTVSPTWWRPXEMG-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCCN[C@@H](C)c1ccccc1C1CC(C)(C)C1	2321031097	XEXMEXQQEMGRSN-ZDUSSCGKSA-N	245.410	4.651	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)C1	2321607640	HIONKLHIRACGHK-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@@]2(C)CC2(C)C)c1	2327679753	AQJRAHDCRRIZRY-DOTOQJQBSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2C[C@H](C)C[C@H](C)N2)c1	2327780311	BKONTIMRUACIPS-KEYYUXOJSA-N	245.410	4.568	0	10	BJAE	
CCCc1ccc([C@H](O)C[C@H](CC)CCC)cc1	2328196350	KYVPTEYUFBLAAU-RHSMWYFYSA-N	248.410	4.889	0	10	BJAE	
Cc1ccc(NC2CCCCCCC2)cc1C	21520212	VBDVLPXPJRLOIN-UHFFFAOYSA-N	231.383	4.828	0	10	BJAE	
CCC(CC)N[C@@H](CC(C)C)c1ccccc1	21801723	KHWSJGCNAIMIRQ-INIZCTEOSA-N	233.399	4.552	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cccc(C(C)C)c2)C1	80427965	LWEGPVJVHXAWOM-CZUORRHYSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1sccc1C	82676522	XJAKSAONXXKZSQ-STQMWFEESA-N	240.412	4.696	0	10	BJAE	
C[C@H]1C[C@H](Nc2ccccc2Cl)CC[C@H]1C	82835911	RTQURESBDDXKOK-GRYCIOLGSA-N	237.774	4.577	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](C)CNCC(C)C	84141116	JFXZPHJDXHMQJX-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CC[C@@H](C)C[C@@H]2C)c(C)c1	85098713	SGCAJSPDOVGMAX-FFSVYQOJSA-N	245.410	4.848	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C1CCCCCC1	87948035	BHQJYNXHQIDRAI-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2ccc(C)cc2C)C1	87984386	FVVWKNPZNZCAHU-GJZGRUSLSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CCC[C@@H](CCC)CC1	92596559	DHSYCNMMQUCUAH-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CNCC)c1cccc(C)c1	93125181	JLAKJACPMPTDTH-PBHICJAKSA-N	247.426	4.514	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)c1cscc1C	94247392	XVFWVGWFXISKRL-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CC/C=C\C[C@@H](C)c1cc(C)cc(C)c1	107483166	RQPYQOUCULAHOB-LMVHVUTASA-N	202.341	4.763	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1ccc(CCC)cc1	109788338	WNEBGRJXUMAFAC-RDJZCZTQSA-N	248.410	4.889	0	10	BJAE	
CCCCc1ccc2oc([C@H](N)CCC)cc2c1	130392536	AFIMZQPDJRTAPO-CQSZACIVSA-N	245.366	4.575	0	10	BJAE	
CCCCCC[C@H](CCCC(C)C)NCC	133471119	AGARINFBAVPTJN-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCCCC(C)(C)c1ccc(OC)cc1	141694676	XDRFPKUGPVQDJK-UHFFFAOYSA-N	220.356	4.553	0	10	BJAE	
CCC(CC)[C@@H]1CCCCC[C@H]1CNC(C)C	155831720	FWHBYDRUSBFYCS-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(CNCC(C)C)C(C)C	166107024	LKYQOCROXTXIAS-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)c1cccc(CCC)c1	166204615	WVHHUVVVBUVTBI-CABCVRRESA-N	247.426	4.521	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)c1cc(C)cc(C)c1	166737346	NFWRUVIRTIRROB-BHYGNILZSA-N	245.410	4.520	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CCC1CCCC1	166903458	QIHVNTGLNXNLOL-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(C2CCCCCC2)CC1	167643724	NRYNNMKGCFMXOL-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCC[C@@H](C)NC1C[C@H](C)C[C@@H](C)C1	219311135	QWFUAWKFWUBTJK-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
Cc1cccc(C2(C(C)(C)F)CCCC2)c1	220340038	YNOSBLKMAKXJSM-UHFFFAOYSA-N	220.331	4.555	0	10	BJAE	
CC[C@@H](C)c1ccc2oc([C@@H](N)C(C)C)cc2c1	232359500	URONRAAHTVPIKE-BZNIZROVSA-N	245.366	4.602	0	10	BJAE	
CCCCCC[C@@H](C)[C@@H]1CNc2ccc(F)cc21	232947598	PYINBWNMWBSTGB-DOMZBBRYSA-N	249.373	4.941	0	10	BJAE	
Clc1cccc2c1NC[C@@H]2CC1CCCCC1	236068781	DOILLUCGRAQRQX-LBPRGKRZSA-N	249.785	4.820	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)c1cc(Cl)cs1	300980478	UCSGZJJICRDARO-KOLCDFICSA-N	246.803	4.507	0	10	BJAE	
CCCN[C@H](c1cc(C)c(C)o1)C1CCCCC1	302271702	ALOJRNKJYYCMNQ-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1NCCCC(C)(C)C	302303940	NJZBYMVMYOCZFQ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@@H](C)CC(C)C	302438976	WFHYHLOUOHEGPK-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1coc2ccccc12	305900797	AQLRMBBLNZRGPV-SWLSCSKDSA-N	246.350	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)CCC(C)(C)C)C1	305990059	FAJILRDLUBCNCA-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)c1cccc(CC)c1	305995137	JXZBBIDNRSIRQD-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc([C@](C)(N)C[C@@H](C)CC(C)C)cc1C	306016414	XODRFHKBJZVKQT-SUMWQHHRSA-N	247.426	4.550	0	10	BJAE	
CSc1ccc(Cl)c2scc(S)c12	307576261	MQLHBDUTLIXNPH-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](NC)c1ccc(C)c(C)c1	308073474	LNGLWTAKJDLDPN-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CC[C@H](Nc1ccccc1C)c1cccc(C)c1	310688069	MXGOALWAUAWLNG-INIZCTEOSA-N	239.362	4.867	0	10	BJAE	
CCc1ccccc1[C@@H](NC)C(C)(C)C(C)(C)C	311101703	UCVMCEBPYNSSDR-OAHLLOKOSA-N	247.426	4.582	0	10	BJAE	
CCCCC1(CNC(C)C)CCCCCC1	317727772	KUEFGMTYYUAKRJ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC1CCC([C@@H]2CCc3cc(N)ccc32)CC1	384934042	AVLLHRCNIPCWGB-ZUEPYMLJSA-N	243.394	4.515	0	10	BJAE	
C[C@@H]1C[C@](O)(CCCC(C)(C)C)c2ccccc21	386597100	KKZQMCVXUMEDEJ-CXAGYDPISA-N	246.394	4.598	0	10	BJAE	
Cc1cscc1NCc1ccccc1C1CC1	387292735	IKZNCHWTFPHBBZ-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@@H]2C[C@H]2CC)cc1	387683287	RREOXJKAQRCXHH-IXKJSCDLSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NC1CCC2(CCCC2)CC1	388621107	FMOLEXHDYHCAQL-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)CC[C@H](O)C1(C)CCCCCC1	394585790	JSKVOYGJLOPUNF-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H](CCC1CCC1)NCC	398626312	MLMPVZHUUZIGHW-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
C[C@@H](COc1ccc(C(C)(C)C)cc1)C1CCC1	398684472	ZPBCKFFQBNGFME-ZDUSSCGKSA-N	246.394	4.799	0	10	BJAE	
CC(C)CNC[C@H]1CCCC[C@@H]1CC1=CCCC1	400628852	KMIDHYQLGKTANZ-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)C)CC1(C)CC1	401394534	KXFGBLVSLMXUDN-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@@H]2CC=CCC2)cc1	402339410	NXKDSTJCOZIQRY-HUUCEWRRSA-N	244.378	4.935	0	10	BJAE	
CC[C@H](C)c1ccc(OCCCC2CC2)cc1	405956309	KUVQPKRRHSDMEC-ZDUSSCGKSA-N	232.367	4.769	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CCCC1CC1)CNC1CC1	405971998	VMIULUKBIRMKIR-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
Cc1c(F)cccc1N[C@@H](C)CC1CCCCC1	689722886	YLHTVJNRVPEIKO-LBPRGKRZSA-N	249.373	4.905	0	10	BJAE	
C[C@@H](CC1CCCC1)NCCCC1CCCC1	689805043	FWXBPNLOLCETDL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CN[C@H](C)CC2CCCC2)CCC1	689809011	PBZFWMPPFFRRSB-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C1=C(CCNc2cccc(C3CC3)c2)CCCC1	690134560	LQIQGQMYKWLTAO-UHFFFAOYSA-N	241.378	4.866	0	10	BJAE	
CCC(CC)C[C@]1(O)CCCCC[C@H]1CC	691172695	XUHIYOSCEPWTKD-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
C[C@H](CC1CCC1)NCCCC1CCCCC1	694059136	HUEGYZXDNFTJES-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H]2CCCC3(CC3)C2)C1	695715358	GAZAJRSVKZUJCV-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CNC2CCC(C3CCC3)CC2)CC1	696075057	ABTRBPPEBUPRTJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](N)CCC(C)(C)CC	696607334	BUSNKCWMTCNICW-CYBMUJFWSA-N	213.409	4.501	0	10	BJAE	
CCC[C@@H](C)[C@H](CCC(C)(C)CC)NCC	696648331	XWPQIVQILQZAIU-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)c1ccccc1	696660295	QRIQTJDMVXWBAT-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)c1ccoc1	696673625	RVKNEXHHBYQEJM-CQSZACIVSA-N	237.387	4.537	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CCC[C@H]2C[C@@H]21	697773278	CMXVVMQUEHATCI-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cccc2ccccc12	701069301	MKTRSAFVHSNPNY-INIZCTEOSA-N	242.362	4.700	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C1CCCCCCC1	704936729	OPUYLTSIZIHXOC-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](Oc2cccc3sccc23)C1	705077673	RYFHCPZOUDKZIB-VXGBXAGGSA-N	246.375	4.859	0	10	BJAE	
CCC1CCC(C(N)(C2CCC2)C2CCC2)CC1	705334111	IFYSVQSXCKTGJK-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@](N)(CCC)C1CCC1	705367205	FCAUZEPGEUXDLS-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC(C)C1CCC(NCC[C@H]2CC=CCC2)CC1	706871212	XNTUMKLDNKDWJL-GTPINHCMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)CCC1CCCCC1	708315354	OOEGBOIMKNOVQA-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(N[C@H]2C[C@H](C)CC(C)(C)C2)cs1	708810112	VWGPQONENXXZJJ-JQWIXIFHSA-N	237.412	4.683	0	10	BJAE	
CCC1(CC(=O)[C@H](C)CC(C)(C)C)CCC1	709240234	ZXOZLNDLIHGOQN-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(O)CC[C@@H](C)C[C@@H]1C	709261563	QUEUVYKGMBMSCY-HOSILWTGSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H]1CCCC2(CC2)C1	710019871	UIDWQLXUQFTITH-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@@H](C)C(C)(C)C)C1	711224251	IFDBBFPNQCMTFQ-FMKPAKJESA-N	239.447	4.604	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C(C)(C)C1CCC1	713165973	CHYLLNDFNHVVKO-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@H](O)CC(C)(C)CC)CC1	713190401	WWJORGQVIIIAGX-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
C=C/C=C\CC[C@@H](O)c1cccc(C(C)(C)C)c1	713680085	CYFJBRBMZXRINN-MWWKQMNYSA-N	244.378	4.540	0	10	BJAE	
C=C/C=C/CCCc1cccc(Cl)c1F	713745515	OLORZKSOADXING-ONEGZZNKSA-N	224.706	4.544	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@@H]1CCCC(C)C	717531545	JNMSQOLPOSTZLN-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1CCCC[C@@H]1C(C)C	718521660	WKEOQQSJZLMCRV-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCNc1ccc2ccccc2c1	718554235	UNMZKLFIFYUKHO-UHFFFAOYSA-N	239.362	4.998	0	10	BJAE	
C1CCCC(N[C@@H](C2CCCC2)C2CC2)CCC1	723958524	AMOGJWWFRIMRJJ-KRWDZBQOSA-N	249.442	4.658	0	10	BJAE	
CCCCCN(C[C@H](C)C(C)(C)C)C(C)C	1308570332	HNOVPOLWVOBGJI-AWEZNQCLSA-N	227.436	4.569	0	10	BJAE	
CCC[C@@H]1CCCN(C[C@@H](C)CC(C)(C)C)C1	1473259682	LIZPBONVBQQOQC-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCC[C@H](CC)CC1	1651486607	HOHXEBWWIXDXHD-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
C1=C(CN2CCC[C@H]2CC2CCCCC2)CCC1	1652387108	QFVXXCBDHADQGE-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
Cc1sccc1-c1c(C)sc(C)c1C	1889519918	VMEDXUOVHYRWPC-UHFFFAOYSA-N	222.378	4.710	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CCCC(C)(C)C	1900579589	GLCCXHFKQQWYFN-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CCC(C)=CCc1nc(C)c(C(C)(C)C)s1	1900826356	LAQPFHXQAPJPGZ-UHFFFAOYSA-N	237.412	4.648	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)[C@H](C)C(C)C	1901709822	POKYWVQEDVSBHY-ILXRZTDVSA-N	227.436	4.616	0	10	BJAE	
CCCC[C@@](C)(O)CCCC1=CCCCC1	1901960161	OIEZWYIUNZLKTP-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H]1CCC(C)(C)C1	1902236832	TUHNRFVRPVGOFL-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)c2ccsc2)C1	1903427610	HUOWPZOOXIDVCG-LLVKDONJSA-N	236.380	4.537	0	10	BJAE	
CCC=C[C@H](C)Cc1ccc(SC)cc1	1911842060	ZASPGMFATCXTLR-LBPRGKRZSA-N	220.381	4.553	0	10	BJAE	
C=CC=CCCNc1ccc(CCCC)cc1	1912010606	VZLHOXIOKDDAKS-UHFFFAOYSA-N	229.367	4.573	0	10	BJAE	
CCCC1CC([C@H](CCCC(C)C)NCC)C1	1921273503	UHSJTAQKUSICHZ-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC1C[C@@H]2CCC[C@H](C1)N2	1922309426	FDGOJGDNORDETE-WZYMTQMTSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@@]1(C)C[C@@H]1C	1925785008	UAQWQTGKAXFQCO-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@H](O)c1cc(Cl)sc1C	1933603465	WADOURBFWCTVRB-NSHDSACASA-N	246.803	4.570	0	10	BJAE	
CCCC[C@@H](CCCC1CCCC1)NCC	1939121449	BKIHMPINVPLNCA-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CCC1(C)CC1)NC	1940789685	FNOXPAXSCMCMKZ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@]1(CN)CC=CC[C@H]1C	1940954698	WWGWTGNBMUAECO-HZPDHXFCSA-N	237.431	4.524	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](O)CCCC1(C)CC1	1941248899	RZWSSLSCUOWCKB-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)[C@@H]1CCCC[C@H]1CC	1941249914	CMAIABMLKBYMMH-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H](CC)C(C)C	1941267867	XXRTUWYVCMFWAS-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](NCC(C)(CC)CC)C1CCCC1	1941359026	XLCGOJOEJYVFBG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2CCC=CCC2)C1	1941793623	QTPLDENLRPSSGV-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]([C@@H](C)CCC(C)C)C1	1942657608	FKCMOBKCJXHXJV-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@](O)(CCC(C)C)C1CC1	1942657862	GLKVIYWUOPCFEI-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC(C1CC1)C1CC1	1944519416	DPIIWYODLLJGGJ-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)CCNc1ccc(C2(C)CC2)cc1	1944597043	VFZZIKBATVOMHP-CYBMUJFWSA-N	231.383	4.586	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2CCC[C@H]2C)CC1	1944845727	JUWKCPWZBWPGNR-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)CC(C)(C)C	1947594773	ZWEITNRAEOJXGL-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)NCC(C(C)C)C(C)C	1948332654	NFPQDWCNASMYAE-GJZGRUSLSA-N	241.463	4.575	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CCC(C)=C(C)C)C1	1949044778	ZPTWDHWUFKBTRO-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@@H]1c2ccccc2NC[C@@H]1C	1949108848	GXYJFDQZKAFDOS-KBPBESRZSA-N	231.383	4.802	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC(C)(C)C1)C(C)(C)C	1949825429	MFTHDVBEFLBPDD-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC[C@H](O)CC1CCCCC1	1949913227	QVAAQZGNRVAFKG-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)[C@H]1CCC[C@@H](C)CC1	1950924200	KMKAAIXALWSPRS-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCC(F)(F)C1	1956118251	CLIUKZXWWNIBEA-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
Cc1ccc(F)cc1NC1CC2(C1)CC(C)(C)C2	1968311530	BDHHRTSUBBFZPY-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1NC1CC2(CCCCC2)C1	1969953271	BVCYAPVYOSXEAD-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H]2CCC[C@H]2C1)C1CCC1	1970682261	ZTHQXMNNYPZUMQ-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(NC2CC3(CCCCC3)C2)CC1	1972429539	DEJIAHOLYZGYDS-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCCCCCCC1=O	1980318935	JILBEMHXBBWOHU-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC=CCCCNc1cccc(SCC)c1	1984617412	ZCINZKPFCBODTF-UHFFFAOYSA-N	235.396	4.567	0	10	BJAE	
CCc1ccsc1[C@H](O)C(CC)(CC)CC	1985603690	DBGWCZVFTZRWGL-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
CCCc1ccc([C@@H](N)C(C)(CC)CC)s1	1985604619	BGYWQFYKVGCNLM-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
CC(C)C(CC(=O)C(C)(C)C(C)C)C(C)C	1988296505	XBRBUCVLKQVSJQ-UHFFFAOYSA-N	226.404	4.556	0	10	BJAE	
Cc1sccc1C(=O)CC(C(C)C)C(C)C	1988302976	PUUUQPPVUMJHQT-UHFFFAOYSA-N	238.396	4.558	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)CCCCCC(C)C	1989273064	XMIRZLYEGMQEMS-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cccc(C)c1Cl	1989818294	GRJXZQXAHVZJRF-NSHDSACASA-N	239.790	4.885	0	10	BJAE	
CCCCC[C@H](CC)[C@@H](CC(C)C)NCC	1990093802	OROAXCUNZGTGQA-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC1(CC(=O)[C@@H](C)CC(C)(C)C)CC1	1990597815	ZLFKHPXKJADVTE-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
Cc1c(N)cccc1-c1cc2sccc2s1	1994738273	JLUSUIGRNWPHSD-UHFFFAOYSA-N	245.372	4.520	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C)C1(C)CCCCC1	1995980263	KKNLTGBCAKREQL-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)[C@@H]1CCCC(C)(C)C1	2000032282	LFKZWWNRHSREDP-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C(CC)(CC)CC	2000215443	VHUWVPYVCXOTJB-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@@H]1CC[C@@H](C)C1	2000504845	LSAZVXFDMDMXCY-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNCC)C[C@H](C)C1CC1	2000505571	SGGYXXGSALWNMJ-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(CO)CCCCCC1	2000657730	ADVPEVIISJJZFA-AWEZNQCLSA-N	240.431	4.782	0	10	BJAE	
C[C@@H](CN(C)[C@H](C)CC(C)(C)C)CC(C)(C)C	2000909836	RWWVPDHXNDMGAE-ZIAGYGMSSA-N	241.463	4.815	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CC12CCCCC2)C(C)(C)C	2001252289	AQBAAIHMDAEQDC-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@H](N)[C@@]1(C)CC=CCC1)CC(C)(C)C	2001661042	XFSGIGZOMCDBNI-DZKIICNBSA-N	237.431	4.523	0	10	BJAE	
CCCCCC[C@](C)(N)C1[C@@H]2CCCCC[C@@H]12	2002791520	MPTQXNIVUWPBHN-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CN[C@@H]1CCCCCC[C@H]1CCCC(C)(C)C	2003102741	YVWIIEMSTHIMPB-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1CCCC2(CC2)C1	2003190520	JXAZKZZBLPFPLF-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](CC=C(C)C)C1	2004226928	KCYPMSQKBGTKSY-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(O)(C[C@H](C)CC(C)C)CC1	2004338866	IWJFTFFYOMPJQQ-QQFBHYJXSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC1CC(C(C)C)C1	2007748484	DARRPPRFPXGYAL-GYTBAZASSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)C=C1CCCCC1	2007920723	LLBYDKSFCRGKPS-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC(=O)[C@@H]([C@H]2CCC(C)(C)C2)CC1	2009404625	PIUIFWGRMKMCLT-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCNC[C@H]1CCC[C@@H](CC)CC1	2009597923	IRGRSHHOVZRMHP-CFSAUIFESA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@H]1CCCCC[C@H]1CNCC	2009610322	FZHGUHXOYBXHRD-TVKHYIBRSA-N	237.431	4.539	0	10	BJAE	
CC=CCCCCC[C@H](NCCC)C(C)(C)C	2009616041	FPBNRLBDIORJNH-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H](C)C1CCCC1	2009616163	GMTFYVNFFCDQOY-CQPIPWFBSA-N	237.431	4.537	0	10	BJAE	
CCCC1CC(Nc2ccccc2C(C)C)C1	2009715305	CMIHKXJPTSKVRW-UHFFFAOYSA-N	231.383	4.801	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C1=CC[C@H](C)CC1	2010613464	SIPWWAFRVSAAJR-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](N)CC(C)(C)C1	2012064778	VKDNVHNVUVJAJG-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](N)(CC)CCC(C)C	2013275158	YCHHDBSJROQCEN-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CC(C(C)C)C(C)C)C1	2015385404	DNOYOYIPNNLXOQ-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CC(C)NC[C@@H](CC(C(C)C)C(C)C)C(C)C	2015413914	YYTSGNOOJSZVHL-OAHLLOKOSA-N	241.463	4.575	0	10	BJAE	
CCCC1(C[C@](O)(CCC)C(C)(C)C)CCC1	2015634726	LDRZZIBHWLIVQU-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C2(C(C)(C)C)CCC2)C1	2017133538	SSUWIFBSRBLQGY-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC1(C(C)C)CCC1)NCC	2017140603	JGJJLPRCSCDDCK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(O)CC[C@H](C)C2)CC1	2017650954	NUYNPEWIFBYYNH-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@H]2CC[C@H](C)C2)CC1	2017655037	JOKRHLNVCZHAGY-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1c(F)ccc(C)c1F	2017740429	CVNFLYIKANUJIT-JTQLQIEISA-N	241.325	4.510	0	10	BJAE	
CCC[C@H](CC)N(C)CC(C)(C)C(F)(F)CC	2018185941	UWFDNUNNNQFWII-LBPRGKRZSA-N	249.389	4.568	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@]23CCCC[C@@H]2C3)c1	2018588522	VDNWSZWQQSPYEZ-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCCCC[C@H]2CC)C1	2019181145	IGACSUOLEYLGHT-OAGGEKHMSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@@H](NC)C1(C)CCC(C)(C)CC1	2020973872	KCVVMIQKNRYYNF-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCC1(CC[C@]2(C)CNC(C)(C)C2)CCC1	2022142086	QTKMNBPTRKKHJA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCCCC1(C)C	2022557026	KPKKUPLFOOQOEC-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](N)(C[C@H]1CCCC(C)(C)C1)C1CCC1	2024094945	NULJQFOEYZWCEY-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CCC1CCC1)NC	2026166749	MDWFQIVWRFCWJW-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@H](CCCC2(C)CC2)c2ccccc2N1	2027836358	JFIWMXSZXWQGNG-KBPBESRZSA-N	243.394	4.945	0	10	BJAE	
CCCc1ccccc1[C@@H](O)CCC(C)(C)CC	2027895748	BGPAOXXRWVUYQV-INIZCTEOSA-N	248.410	4.889	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NC)c1cccc(C)c1C	2028252483	OLBJFPXKPSJVJK-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CC1(C)CC(C)(C(=O)c2cccc(C3CC3)c2)C1	2029107838	JHDBMZWJZKCGEJ-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@@H]1CCC1(C)C	2033578268	UWIHWORRKFNHQV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
NC1(CCC2CCCCC2)CC(C2CCCC2)C1	2033785433	VIFNIYZWCUSCCK-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC1C[C@H]2CCCC[C@@H]2C1	2034151565	YKPBKTYMQKYBEK-ANQUJSFKSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCc2ccc([C@H](C)CC)cc2C(=O)C1	2034185492	YUKNVAKOGQAIMS-OLZOCXBDSA-N	244.378	4.745	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](NC[C@H]2C=CCCC2)C1	2035567189	VMXXNQWPEPZNBX-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C[C@H]1C=CCC1	2035587274	BLCRUFQJCSYEBL-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
C1CCCCC(NC2CC3(CCC3)C2)CCCC1	2035892586	TURIZWBHJXMCIX-UHFFFAOYSA-N	249.442	4.802	0	10	BJAE	
CCCc1cccc([C@](C)(O)[C@@H](C)CC(C)C)c1	2036375533	PYNCNOABHWDIGL-WMLDXEAASA-N	248.410	4.529	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)c1c(C)cccc1C	2037041583	YYYNBXWHXCGTSP-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
N[C@H](CC[C@H]1C=CCCCC1)CC1CCCCC1	2038168901	WNZMIWZQYJJJQP-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@H]1CCC2(CC2)C1	2038568593	RGBCUAHHYXGAAC-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2039368177	AQGWVAAVMVPMMH-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC(C2CC2)C2CC2)CC1	2039374003	JUTUQGYQXJOAIJ-WFASDCNBSA-N	248.410	4.598	0	10	BJAE	
CCC1(C(=O)c2c(C)c(C)cc(C)c2C)CCC1	2039736019	YOFBLXCFDLAOMN-UHFFFAOYSA-N	244.378	4.683	0	10	BJAE	
C[C@@H](N[C@@H]1CC2CCC1CC2)C1(C)CCCCC1	2039861684	HTIQEBSFGAQDMB-PRLABOORSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CC[C@@H](C)C2)C=CCCC1	2040182030	NCIKYXDWQQWOJR-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H](C)c1ccccc1)NC	2040717661	VGROHUKVOCAYME-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@@]1(C)CC=CCC1	2042027821	QSFKPEXFAZKXJR-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2[C@H]3CCC[C@H]2CC3)CC1	2042050851	YFOVCALTQUFXMY-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCCCCc1ccc(NC[C@H]2C[C@@H]2CC)cc1	2042330114	DESVYWGTXBUNKR-JKSUJKDBSA-N	245.410	4.877	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2C(C)=CCC[C@H]2C)CC1	2045681968	GNZXAQCECBJPDP-LMPOIIKSSA-N	248.410	4.764	0	10	BJAE	
CCCN[C@H](C=C(C)C)c1cc(C)c(C)cc1C	2045778553	FHPWCCHBBFGJPB-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CC1(C)CC[C@H]1C1(CNC2CCC2)CCCCC1	2046214158	KQRBCXLDPCMLKL-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CC12CCCC2)C1CCCC1	2047060094	VBUJJXSWHGWYSJ-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047436997	IKTTYHNGIKUCON-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@H](CNC2CCCCCCCC2)CCCC1	2049677753	GNTCISHEPXLDET-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC([C@@](C)(N)CC2CCC3(CC2)CC3)C1	2049859081	SJKWFBITTRYIGU-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CC(C)(C)C1)[C@]1(C)C=CCCC1	2050005255	FDHDUPBZEOTGIS-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@]1(CNC2CC2)CCCCC12CCC2	2053352486	HICIXRJSSSGJJV-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@H]1CCCCC12CCC2	2053410523	FUXAALXDHWSLOZ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
FCc1ccc(NC2C[C@@H]3CCCC[C@H]3C2)cc1	2055666699	CMWCLCOVBJAHLB-KBPBESRZSA-N	247.357	4.537	0	10	BJAE	
CCC1CCC(C2CC3(CCC(N)CC3)C2)CC1	2056616395	FPWPUNIJJVASQZ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C1CCCCC1)c1ccccc1	2056882957	PAVOIRFEJXDDRO-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
C/C=C/CCC[C@@](C)(N)c1ccc(C(C)C)cc1	2059204212	TWJMVPNERZFWGU-FUTAKVPZSA-N	245.410	4.730	0	10	BJAE	
C/C=C/CCC[C@@H](CC1CC2(CCC2)C1)NCC	2059250181	OBGUNLZKDNWYKC-WMHVBEDNSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C1=CC[C@@H](CC)CC1	2061082344	VCTBXFDETAPRNX-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC2(C1)CC(O)(C1=CCCCCCC1)C2	2061133933	ZVNKNKMDIWMFFK-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)C(C)(C)C1CCC1	2061146673	JAWDDQOBHYKZLT-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](C)(CC[C@]12CCC[C@@H]1C2)CNC1CC1	2061623080	PHYCKOXQOGKTCW-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(O)CC1CC(=C2CCC2)C1	2061681821	DOEJVCYBKWLXRW-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCCCCC23CC3)C1	2062025036	ZYDOPMRCFXUGAQ-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
O=C(CCC1CCCCC1)C1C[C@H]2CCC[C@@H]2C1	2063501823	RTVXNQGCLMKHMN-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC2(CC(C(=O)[C@H]3CCCC3(C)C)C2)C1	2063808435	TXRFFNQQBNNITQ-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(NCC23CCC(CC2)CC3)c1C	2065299958	HHFXVZSXQBBEKR-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CCN[C@H](CC12CCC(CC1)C2)C1(C)CCCC1	2065299994	HPTIRBUVVWYJSG-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)C[C@H]1C=CCCCC1	2065942223	HZEIEDKTJZSCDS-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
C[C@H](NCC(C)(C)C1=CCCC1)[C@@H]1CCC1(C)C	2068280413	KYAUHPFBXNPMQL-ZFWWWQNUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNC1CCC2(CCCC2)CC1	2071467709	XSIPYFLYFRIGOE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)C[C@H]1C[C@@H]1CC	2071511070	MDGGZBGTWISEEB-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(N[C@H]2CC[C@H]2C2CC2)CCCC1	2071798971	PFZSUMAQTLMJLK-IRXDYDNUSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)[C@@H]2CCCCC23CC3)CC1	2072798483	JVZJOSPDLCWDKZ-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)c1cc(C)c(C)cc1C	2073342528	WJYNFZCVVVFBAF-QGZVFWFLSA-N	247.426	4.756	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)[C@@H]1CCCC2(CC2)C1	2073787829	SPVGMUIJUGSUPG-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@@]23CCCC[C@@H]2C3)C1	2074030385	SUZKMPKYSDTAKO-OIISXLGYSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@@H]1CCCC2(CC2)C1	2074894691	DHEKAHHRYPZCBY-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
C1=C(CN2CCC[C@@H]2C2CCCCCC2)CCC1	2075190815	JKBXRTRFOAMTPE-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
CN(C1CC2(CCCCC2)C1)[C@@H]1C=CCCCC1	2075404800	FIOQMNUJSXBMEX-OAHLLOKOSA-N	247.426	4.530	0	10	BJAE	
CCN[C@@H]1[C@@H](C[C@@H]2C=CCCC2)CCCC1(C)C	2076396729	WVMVTRHUTBLALR-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2C[C@H]2C2CCC2)CC1	2079304237	SVEVLHCRQIEFAA-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@H]1C[C@@H]1C1CCCCC1	2079426517	BLVYLQPQOHBRDP-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC(=O)c1ccc(C2CCCC2)cc1	2081785218	JZTICKBXJJZETQ-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
C[C@@H](CC12CCC(CC1)CC2)[C@H]1CC[C@@H](N)CC1	2082138149	ZXLIDTXMJKPAFE-VPABYTGTSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC=CC[C@]1(CN)C[C@H]1CCCC(C)(C)C1	2082985796	JCIJVWFUONMRRO-HLLBOEOZSA-N	249.442	4.524	0	10	BJAE	
CC[C@](N)(c1cccc(C(C)(C)C)c1)C(C)(C)C	2083542930	BZOMBOYIARJODL-KRWDZBQOSA-N	247.426	4.594	0	10	BJAE	
CC(C)[C@H](C)C(=O)CC1CC2(C1)CC1(CCC1)C2	2083605997	NKCMLJIYWYLBNT-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C[C@@H](N)C2=CC[C@@H](C(C)C)CC2)C1	2084999241	WDODKGGHHWTYRX-OCUYMYNFSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(C[C@@H]2CC23CCCCC3)C1	2085307396	IQIKEGKIJIBCHX-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
c1cc(-c2cccc3c2NCCC3)cc(C2CC2)c1	2088948118	OVXJDWUBMRUGDS-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CCCCCC[C@@](C)(O)c1sc(C)cc1C	2210564403	OWHDCXPYKSKZRC-CQSZACIVSA-N	240.412	4.543	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1scc(C)c1C	2210567257	HHPZKZAKWBZGLX-CYBMUJFWSA-N	239.428	4.581	0	10	BJAE	
CC1CCC(N)(CCCCCCC2CC2)CC1	2213577179	YYYKZUYNWWPDFK-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](O)[C@@H]1CCCCCCC1CC1	2213579339	DTFAXWBPKRKURP-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCCCC2CC2)CC1	2214558834	STRLFMUVEMSVJQ-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](CCCCC2CC2)C1	2214568663	KFLVMWZCLCSXMC-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@@H](CCCCC2CC2)NCC)CC1	2214569743	OHYFBWFQUFGNKL-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CCCCC1CC1	2214571128	UYDDGFORYQTBJY-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)C1(C)CCC(C)(C)CC1	2215105924	QKXIFZUBHWEJPB-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](N)CC1(C)CC2(CCC2)C1	2215401159	NAPSMHDUYBLKMU-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CCCCC(F)F)CNC(C)C	2216432978	ITTDUIYPESLYMF-CQSZACIVSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(C[C@@H](C)C(C)C)C(C)C	2217123764	BCTVKMMNDUEDBQ-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)NC[C@H](C[C@H](C)C(C)C)C(C)(C)C	2217138805	NDGSOOOXCSZOJD-KKUMJFAQSA-N	241.463	4.719	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](N[C@H]2CCCC3(CC3)C2)C1	2218050956	WHLDAPXTIWVFDR-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218377286	DWGNHYALGYYINY-ORIJERBGSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(F)c(C/C=C/c2ccccc2)c1F	2219079294	YHTBRAQNWADEJI-VMPITWQZSA-N	244.284	4.529	0	10	BJAE	
CC1(CC(=O)C/C=C/c2ccccc2)CCCC1	2219086705	FNOPCHBOGGUQCT-JXMROGBWSA-N	242.362	4.629	0	10	BJAE	
CC1CCC([C@@H](N)CC2(C)CC3(CCC3)C2)CC1	2221012975	GGDSBAOAEOHFCD-NRXISQOPSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1CC1)CC1(C)CC2(CCC2)C1	2221013046	GXRWCLSTSULXAM-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CCC[C@H](C3CC3)C2)C1	2221023920	WNUZRFAYESTLLS-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)[C@H]2CC23CCCCC3)C1	2221029498	AIBZSTVEGHSWAT-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H]1CC1(C)C)[C@@]1(C)CC=C(C)CC1	2221629555	ZTBYCGGGAOUAGN-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](CNC(C)(C)C)(C2CC(C)C2)CC1	2221654477	OQWYPZSQHIIKKA-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](c1c(C)cccc1C)C1(CC)CC1	2221998716	IEJKTENYYHMDGK-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCC(C)(CC)CNCC[C@H]1CCC[C@H](C)C1	2246683977	JEULPPFVTWHVDJ-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)[C@H](C)CC(C)(C)C	2247167018	WAJFYIPPNCZGLO-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](CC(=O)C[C@H]1CCC1(C)C)C(C)(C)C	2247397298	GIQVZXSPATXUGT-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC(C)CNCCC(C)(C)CC1=CCCCC1	2247498431	KBZAJKJUAOMIGV-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cccc(C(C)(C)C)c1	2249309673	XCLWNUDZJAMXCQ-OLZOCXBDSA-N	233.399	4.831	0	10	BJAE	
CCC[C@H](CC)CN[C@H](C)C1CCC(C)CC1	2250382571	FBVLKXNAHQWXQM-FYRZTWFESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@]12CCC[C@H]1CC2	2251149167	KEHPHUBKKYPUCS-OFQRWUPVSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@]1(C[C@@H]2CCC23CCC3)CCCCCN1	2254983193	ZCYBSNVGRSVPJN-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@]2(CCN2CC2=CCCCC2)C1	2255209646	KBDIXEFFLPOZGX-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC[C@H]2CCCC23CC3)CC1	2255313661	SHRPNORZTYFAIR-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@@]1(C)CC=CCC1	2257300136	DCFYSNSYQKNNJH-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@]12CCC[C@@H]1CC2	2260581323	DEEZRPNBWIQXDU-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
c1ccc(C2CC2)c(NC[C@]23CCC[C@@H]2CC3)c1	2260616573	GXSHPXHGMVGXMW-RHSMWYFYSA-N	241.378	4.556	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@@]23CCC[C@H]2CC3)C1	2260645739	JRHCYZLIXMEJNO-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(C[C@]2(N)CC23CCCC3)C1	2261297195	XGHJYDIMZGFABS-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@@]12CCC[C@@H]1CC2	2298711143	WACZKJRHGHXNMQ-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](C)(CNCC)[C@@H](C)CC1CCC1	2298869778	LOSKWBBFBACGPR-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC1CC1)C(=O)C1(C)CCCCCCC1	2298922646	JPSLTYODIOHGCM-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC1CC(C(C)C)C1	2300471956	MQVBRSHNPLEDLP-GPANFISMSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CCC[C@@H]1C(C)C	2300680011	YYQJVXGLESNHOT-PMPSAXMXSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C1CC(CC)C1	2300682736	BOXLMIYJTJRSEE-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC(C)C)CC[C@H](C)C1	2300860027	BUHYBWIMBJKDGL-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CC=C(C)CCCC(C)C)CC(C)C	2300936511	FZLUKDXWXOIAIS-MRXNPFEDSA-N	239.447	4.783	0	10	BJAE	
C[C@H]1CCCC[C@]1(O)CCCC1=CCCCC1	2302325847	KUMRGTSNJPSTJS-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1CCC(C)(C)C1)NC	2302676633	WPUHXTCOLKLTSB-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](N)(CC)CC[C@H]1CC[C@H]1C1CC1	2303160583	VWHHUXSVKCKMIH-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)c1cc(C)ccc1C(C)C	2307503217	LMFGABRUBZJNDN-MLGOLLRUSA-N	234.383	4.588	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309183389	IKTTYHNGIKUCON-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309184139	ARXUHQVYVMPVOC-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C[C@@]12CCCC[C@@H]1C2)C1(CC)CC1	2311148017	OZCBNYXPUDIPFV-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2311275124	YZWFUWJEMGNRMV-DMRZNYOFSA-N	249.442	4.523	0	10	BJAE	
C[C@H](CC1CCC1)C1(CNC(C)(C)C)CC=CC1	2313582327	YKRYPNVEDUTYFO-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@H](O)c1ccc(CC(C)C)cc1	2316532276	NLZDXJGELNRNJZ-KRWDZBQOSA-N	246.394	4.665	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@H]1CCCC12CC2	2316543193	XEHPQIMVKGDPEK-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316793773	YSVNMUNXBLZMCY-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@H]1[C@@H](CC)[C@H]1C	2317978102	ZBEKLWCTEKWVHL-XLNGHYISSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)CCCC2=CCCCC2)C1	2318592730	MAICOQLLYIOWKI-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CC[C@H]1CCCC12CC2	2318930403	XJIGQMLPBHLCTR-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)C[C@H]1C=CCCC1	2318931088	CAJWYLXFEAPYHY-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCc1cccc(F)c1NC[C@H]1CCC(C)(C)C1	2319101356	GYEFWCQSRBRVDH-LBPRGKRZSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@@H]2CCCC3(CC3)C2)C1	2319121230	LDVQUISMZVZVSB-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1N[C@H]1CCC2(CCCC2)C1	2320178025	DPTWJKPOLZRBBX-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@@H]2CCCC2(C)C)CC1	2320338128	SHCGBQVTZXXCJR-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
NC1([C@@H](CC2CC2)C2CC2)CCCCCCCC1	2320785293	VRDZULLLOSXSHU-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CCCCCCc1ccc([C@@H](N)[C@@H](C)CC)cc1	2327895423	CDLGFRIKQDUMGA-YOEHRIQHSA-N	247.426	4.855	0	10	BJAE	
CCC[C@@H](CC)CC1(N)CC2(C[C@H]3CC[C@H]2C3)C1	2328267798	DGZQAHSWBFAMJH-AFEQQHIUSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@@H](N)C[C@@H](CC)CCC)cc1	2328274660	RBOUAFSTYZSCNS-YOEHRIQHSA-N	247.426	4.855	0	10	BJAE	
CCCCCN[C@H](CC(C)C)c1ccccc1	19233207	LDPJEGQFCNVGCJ-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
C[C@H](Nc1ccc(F)cc1Cl)c1ccccc1	20358654	LUNDRHUKVPESJK-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cccc(C(C)C)c1	20556598	BTMSUTHTILSIGW-STQMWFEESA-N	219.372	4.657	0	10	BJAE	
C[C@@H](Nc1ccccc1-c1ccccc1)C1CC1	21009579	SWFFKLKKPSAVKP-CYBMUJFWSA-N	237.346	4.564	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H](C)c2ccco2)cc1	36953616	YFBNQWKASRGODT-CHWSQXEVSA-N	243.350	4.966	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(C)c(OC)c1C	37125632	WWFDALDMLGKCBQ-ZDUSSCGKSA-N	249.398	4.693	0	10	BJAE	
Clc1ccccc1[C@H]1Oc2ccccc2S1	38886013	QJOUAJBGHXTGJD-ZDUSSCGKSA-N	248.734	4.523	0	10	BJAE	
Cc1cc(Cl)cc2c(Cl)c(Cl)cnc12	41702508	SAARQOBDHVATSG-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
Cc1ccccc1COc1ccc(C(C)C)cc1	70236397	LFDKSEWVXILARW-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccc(C)cc2Cl)C1	70760422	CZPQTCNSVVFDSN-VXGBXAGGSA-N	237.774	4.639	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccc(C(C)C)cc2)C1	80426527	LBWVQFYFRSQUEN-BBRMVZONSA-N	231.383	4.801	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H](CC)CCCC	82679755	NELQQLTULNJDFZ-LSDHHAIUSA-N	228.420	4.924	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)c1	85098708	IXZZUEGOKWNTTC-UHOFOFEASA-N	245.410	4.848	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccc3c(c2)CCC3)CC1	86878831	BZXWWNRYJSNISI-XJKSGUPXSA-N	243.394	4.556	0	10	BJAE	
CCCCC[C@H](NCCC)c1cscc1C	87288871	SGXBHAWHBRKKEQ-AWEZNQCLSA-N	239.428	4.678	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@H]1CCCCC1(C)C	94274637	XMUOTXYMJALGAO-HOCLYGCPSA-N	245.410	4.614	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1ccc(CC(C)C)cc1	110199961	JQCCIVYHMXRZTE-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CCC[C@H](C)CC1(CNC(C)(C)C)CCCC1	110201898	HFULCJAIIGOBSA-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
Fc1cccc(-c2cc(F)c3ccccc3c2)c1	112733545	ZYDDVBHEBCATBJ-UHFFFAOYSA-N	240.252	4.785	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)C1CCC(CC)CC1	125465732	ZDIFANPWXUIVIY-GYTBAZASSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)CCC2CCCCC2)C1	125889863	AUDUROZHUVGYJE-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](C)CCNC(C)(C)C)C1	132695385	LPFTVWKQJZBZIP-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1C)[C@H](C)CCC	163538567	SCGIQMVJSMDVFJ-PBHICJAKSA-N	247.426	4.780	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CC1CCCCC1	166778009	YBQRDHODJFXZNV-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1	168453196	XPPYTCYQEWJRSZ-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CC1=C[C@H]([Si](C)(C)C)C=C[C@@H]1[Si](C)(C)C	196752937	QOZWKQQNRNOUAR-OLZOCXBDSA-N	238.523	4.919	0	10	BJAE	
CC[C@H]1CCC/C(=C2/CCc3cc(N)ccc32)C1	211463027	SPNUJQTXEBFHGZ-UJUPCEQOSA-N	241.378	4.569	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CCCCC2(C)C)ccc1F	226532840	PBOUWDLWUAEOTJ-CYBMUJFWSA-N	248.341	4.533	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H](C(C)C)CC1)C(C)C	226537228	LREZCMCZZJVKED-PMPSAXMXSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@]2(N)CCC[C@H](C3CC3)C2)C1	227175867	VIVGWWQKJWGTPM-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC[C@H](C(C)C)C2)c1	230986221	PYPLAZJGFPPNQE-JKSUJKDBSA-N	245.410	4.930	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc2sccc2c1	233285534	MKUGMVXCHGFKCZ-GFCCVEGCSA-N	233.380	4.892	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(C)ccc1Cl	233288938	WECAHJVIONJKPK-LLVKDONJSA-N	225.763	4.639	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)c2cc(C)oc2C)C1	251636072	FRAZFIREXUNUQW-YUELXQCFSA-N	249.398	4.516	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCCC[C@H]1CC)C(C)C	251699563	IWVLQUJFUMRPAV-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H](NCC2CCCCCCC2)CC1	302305071	NQJQMUXTGMPASD-KOMQPUFPSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@H]1CCCCC1(C)C	305974190	ZMCYIVUUEFYGNJ-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1ccccc1C1CCC1	306066949	YYCPHHGJDCSHQX-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CCCC[C@H](CC)CNCCC1(C)CCCC1	310461739	AYFAGSYRIAGNFZ-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@](O)(CC1(C)CCCC1)C1CCCC1	313477520	VXVHVUCLYNDJJJ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1	315165089	MERUXCCZTWMRIL-VGWMRTNUSA-N	243.394	4.540	0	10	BJAE	
CNC[C@@]1(CCCCCC(C)C)CCC[C@H]1C	317000894	HKPLZISJMKZCHB-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](Nc1cccc(C)c1C)C1CCC1	322536047	NLQUHQANODNZDK-MRXNPFEDSA-N	231.383	4.684	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC/C=C\c1ccccc1	323570996	AIGYXULUEPYZEA-GJBHZFNWSA-N	246.394	4.667	0	10	BJAE	
CC(C)(C)NCCCCC/C=C/c1ccccc1	324121971	IMCYKCFKAPECGG-XYOKQWHBSA-N	245.410	4.648	0	10	BJAE	
CCCC1CCC(N[C@@H](C2CCC2)C2CC2)CC1	324630549	AHJDHVNPPUODTJ-IMRCBTMISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC1(C)CCCC1)NCCC	380737865	RICOBOOMZVNQIR-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC1([C@H](O)CCCCCC(C)C)CC1	383544473	PFBBGMHKDBRCMN-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
O[C@H](CC1CCCC1)c1ccc2sccc2c1	386518759	DIWSNFVGIQNQBO-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CCCC2)c1cccs1	392807030	CJCDCTSJJOVOJK-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
CC[C@@H](C)CCNc1cccc(C(C)C)c1	394450241	LIEJXXVQEDHXNT-CYBMUJFWSA-N	219.372	4.658	0	10	BJAE	
C[C@H]1CCC[C@H](NCC2(C)CCCCCC2)C1	394580172	BWFZCFDHVDARMZ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCCC12CCC2	394769621	KYLWASLHLGORMB-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
C1CCCC(CN[C@@H]2CC23CCCCC3)CCC1	395620510	ALDMNPOKNADBTM-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
Cc1c(C(F)(F)F)cc2ccsc2c1S	396289642	AFQOCOMLOCHGCE-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC[C@H](C)c1csc(C[C@H]2C[C@H]3CC[C@H]2C3)n1	397423714	BKAWETPKKFFBLC-ZDEQEGDKSA-N	249.423	4.635	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)[C@@H](C)C(C)(C)C)c1	399313506	NAQFRMNEHLLYAR-SNVBAGLBSA-N	238.758	4.513	0	10	BJAE	
CCCCCC[C@@H](CC1=CCCC1)NCCC	401102818	ZBJFYYIGXASBLB-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C[C@@H]1CC=CCC1	402209840	MHBKZGYXMNYRHL-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@]1(O)CCCC1CC1	406024004	INJDSVDNAUFKOY-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
C=Cc1cccc(-c2c(C)cccc2C)c1	584646545	OGHGEOBJPYVWPV-UHFFFAOYSA-N	208.304	4.613	0	10	BJAE	
CCC[C@H](c1nc2ccc(C)c(C)c2[nH]1)C(C)C	587956603	UEGFPRRMQZRFAL-ZDUSSCGKSA-N	244.382	4.719	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)C[C@@H](C)CC(C)(C)C1	688446561	BMPKAESIKBONEP-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CC(=O)CC1CCCCC1)CC(F)F	688810899	XZQYLESKCUKLPJ-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@@H](C)C1CCC1	692814026	SIGNUUNAOOUFEC-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@@]12CCCC[C@@H]1C2	693183339	NYYLTUHTINDQSY-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@]12CCCC[C@@H]1C2	693285997	BMDNCBZWHOEHOO-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
C1CCCC(CCN[C@H]2CCCC3(CC3)C2)CC1	695715695	HDDSVDYFOTWCJJ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
Clc1ccc(N[C@@H]2CCCC[C@H]2C2CC2)cc1	696050852	RVGBQTUKCLABIR-LSDHHAIUSA-N	249.785	4.721	0	10	BJAE	
CCCN[C@H](C(C)(C)CC)C(C)(C)C1CCC1	701153633	HKRCONUGSMPYKN-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@@H](C)CC(C)(C)C	708297795	NLRFBBOIDMRZMB-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(OC[C@H](C)CC(C)(C)C)c1	709106669	FLHNYMWSSXCBGE-CQSZACIVSA-N	234.383	4.755	0	10	BJAE	
CCCC1CCC(N)(C[C@@H](C)C(C)(C)C)CC1	710753421	MRUCDFXFDXJCNI-VQCLRJIVSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C[C@H](N)CCCC(C)C)C(C)(C)C	711102058	DQRBLVYDYVFYTP-ZIAGYGMSSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](C[C@@H](O)C1CCC(C)CC1)C(C)(C)C	711176237	DKOXXBPCTJKBIX-NEXFUWMNSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)(C)C)CC(C)(C)CC	711182507	JMCNRFNUGRWHIU-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC(C)(C)CC)NC	713136619	UNBIFZGNECVZMU-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)C[C@@]1(CNC(C)(C)C)CC=CCC1	713165303	FRMHMIKOALBHTQ-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1cc(C)cc(F)c1	718526398	LVUUUFQSNFQOPK-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@]1(N)CCCCCC1(C)C	719230889	UMABNDQNIRPPKJ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC1CC(C)(C)C1	723544513	MGCGPDIQRJRGHD-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](CO)C1CCCCCC1	829249834	CEODLYCGVJZEKM-ZBFHGGJFSA-N	240.431	4.638	0	10	BJAE	
C/C(=C/Cl)CSCCCC1CCCC1	1189197583	DSZYGMIBRUSSJG-LUAWRHEFSA-N	232.820	4.833	0	10	BJAE	
c1ccc2cc(CCSC3CCC3)ccc2c1	1307345102	IDFFSJBHSHRFNH-UHFFFAOYSA-N	242.387	4.668	0	10	BJAE	
C[C@H]1CCC[C@@H](NC2CCC3(CCC3)CC2)CC1	1621256142	CXHUFGJLFBTUDN-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)C[C@@H](C)C(C)(C)C	1645303132	HJILLNIMORFEMG-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
C1=C(CN(c2ccccc2)C2CCCC2)CCC1	1653611980	UHWLTFFZPBLSQT-UHFFFAOYSA-N	241.378	4.546	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CCCC1(C)CC1	1900582072	AOADRDPSUUYOOZ-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@H](C)CC(C)C	1900595364	XSNPOQREWOWLCU-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
CC(=CCNc1ccsc1)CCCC(C)C	1900824562	AAIGFAKDLWTCAW-UHFFFAOYSA-N	237.412	4.933	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)[C@@H](C)C(C)C	1901692705	ADHFKIGLDINNTA-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@@H](C)c1cscc1C(CC)CC	1901884844	NIZXUNFFUSBINX-NSHDSACASA-N	239.428	4.712	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC[C@H]1CCC	1905369792	UFTNZIPKNRUDPZ-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC)CN[C@@H](C)CC	1905379774	BWJDWPWESHAQDW-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)C(C)(C)C	1905445486	QIJGPBCLWVNGCB-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@H]1CC[C@H](CC)CC1	1910659047	CNOXVNYATUYTDI-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(C)c(C)c1	1911808872	WIZYGVWEJNNALI-ZDUSSCGKSA-N	202.341	4.763	0	10	BJAE	
CC(C)[C@@H](C)[C@H]1CCCCCCCCC1=O	1913411194	MLKGRWHRIFFLRD-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
C1CCCC(N[C@H]2CCC3(CCCC3)C2)CCC1	1916429193	CQWPBORAYYYKRY-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CC(C)c1csc([C@@H]2CCCC23CCC3)n1	1921622573	WUURJIQAESBMKE-NSHDSACASA-N	235.396	4.704	0	10	BJAE	
CC(C)C[C@@H](C)C=C1[C@@H](CN)CCCC12CCC2	1924833665	IGFPHZMQZUTMRO-HUUCEWRRSA-N	249.442	4.524	0	10	BJAE	
Fc1ccc(F)c(CC[C@@H]2C=CCCCC2)c1	1925825974	YDJSLAOEQWPYLZ-GFCCVEGCSA-N	236.305	4.644	0	10	BJAE	
CCC[C@@H](C)C[C@H](CC(CC)CC)NCC	1926377555	GRPTWVKOKWNDNL-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)CCCCCC(C)C	1936207420	VNOSKSZBGUEWPX-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
CCCCC[C@H](C)NCCCCCC1CC1	1936421357	TXDLNOVJPKQPIZ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1csc(CC)c1	1936758246	FIIRRSWTAHDAHC-RISCZKNCSA-N	239.428	4.527	0	10	BJAE	
CCCC(CCC)N[C@H](C)[C@H](C)CC(C)C	1939033559	INZUXPPAACCKQZ-ZIAGYGMSSA-N	227.436	4.616	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)C[C@@H](C)C(C)(C)C	1940242802	GZSFREZBVGBDAY-CZUORRHYSA-N	242.447	4.738	0	10	BJAE	
CC(C)c1ccccc1C(=O)CCCC1CC1	1940625178	IBBWZZCXNDTMLS-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1CC(C)C1)NCC	1940680960	BGZNRQFXSVQGIN-QDIHITRGSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@H](CCCC(C)(C)C)C1CCC1	1942095954	YEMYRKGVNHWIFX-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)([C@H](C)CCC(C)C)C1	1942656710	CIKLOYPLNHFRHB-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)[C@H](CC(C)C)C(C)C	1942660626	KVDFFXKJOZDOAD-ARFHVFGLSA-N	242.447	4.738	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)[C@H](C)CCC(C)C	1942662990	YQCSMWANAUABMI-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](O)CC1CCCC1	1944618988	SBWNXUWSAABRCY-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC(C)(C)C1CCCC1	1945381719	HLALUSRHZAFKLY-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H]1CCC(C)(C)C1	1945601830	XTCNPXBHGMOYBC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Fc1c(C[C@H]2C=CCCC2)cccc1C(F)F	1947558806	MVDIDNZKDMFUSZ-JTQLQIEISA-N	240.268	4.662	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)[C@@H](C)CC(C)C	1948327992	RQPDIOLMNNHQMN-JKSUJKDBSA-N	241.463	4.993	0	10	BJAE	
CCCC[C@@H](CC1C(C)(C)C1(C)C)NCCC	1948436221	SMQKYMUNQCDABW-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)[C@H](C)CC(C)C	1948971619	ZWZGVNITXAJESQ-SQWLQELKSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)C2(C)CCCCCC2)C1	1949517839	KLJXGGWYUYRURN-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)CC(=O)CC1CCCCC1	1949924891	ZCTMDGSFDPSFSP-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CNC[C@@]1(CC(C)(C)C)CCCC(C)(C)CC1	1950915164	XXUUIYGKZGFSCV-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CC2CCCCC2)CC1	1950929556	IAXIXTIFSZPTAC-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@@H]1CCCC2(CCCC2)C1	1967854864	DDOMUOWKKBGOJF-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(NC2C[C@H]3CCCC[C@@H]3C2)c(C)c1	1968255130	ROAQFCLWYLJGIR-HUUCEWRRSA-N	243.394	4.684	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H]2CCC(C)(C)C2)c1	1968307102	DJSZTDPQVXMDND-CQSZACIVSA-N	231.383	4.542	0	10	BJAE	
Cc1cccc(O[C@@H]2CCC3(CCCC3)C2)c1C	1968365034	OQXZFFNCXGWRDM-OAHLLOKOSA-N	244.378	4.795	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cc(C(C)C)ccc1C	1968595726	AFXXAYODZVIUQJ-JSGCOSHPSA-N	233.399	4.965	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@@H](C)C[C@@H]1C	1969583491	VRCVAKGHBYXBEG-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCCN([C@@H]2CCC3(CCCC3)C2)C1	1971718317	UKAVUHYACLLUOC-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCC[C@H](C(C)C)C1	1973163579	GSTHWQJWKPJAPO-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1C=CCCC1	1977152501	FZBPKPZANCQCON-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
C[C@@H](CC[C@H](O)c1cccs1)CC(C)(C)C	1980700302	WPOZRRDMCSKYCV-RYUDHWBXSA-N	240.412	4.634	0	10	BJAE	
CC=CCCC[C@H](CCCCCC)NCC	1984629237	FVBDYPINFGUVGE-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CCCN[C@H](CC)CCC1(CCC)CCC1	1988467892	ZGGCDLONKIRDGJ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCCCCC(=O)CC1(C(C)C)CCC1	1989448750	VZHXWPXSXVJAEJ-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CCCCCC1CC1	1989861101	LRMQCBZJRIWWSU-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)C[C@H](C)CC	1990093240	IWYYLHFKNBMGDY-KFWWJZLASA-N	227.436	4.760	0	10	BJAE	
CC(=CCl)CNc1ccccc1C1CCC1	1992087777	HLTMUYCREIIUGU-UHFFFAOYSA-N	235.758	4.509	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC1CCCC1	1995262546	OLWYNOGSRQAJFO-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C[C@H](N[C@@H](C)C1(C)CCCCC1)C1CCCC1	1995991853	SJTYHEQGGNXQRK-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@@H]1CC[C@@H](C)C1	1996260329	NRSIKEJGZWQGEE-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C1CCC(C)(C)CC1)[C@@H](O)CC(C)C	1996552514	MJOFHVBHQASQMZ-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CCC1(CNc2ccccc2SC(C)C)CC1	1996563102	AXTFILKUTRAWHF-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CCC[C@H](C)[C@@]1(N)CCCC2(CCCCC2)C1	1996647805	RHWHRRPMIQAHQX-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1CCC[C@@H](CC)CC1	1997117469	RAIXTBGKTKUIGN-HUUCEWRRSA-N	234.383	4.684	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC1(C)CCCC1	2000189466	XNIGODSJDJEVNX-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](CC)(CN)[C@@H]1CCC[C@@H](CC)C1	2000503226	VEOMUYBKFFXRAU-BZUAXINKSA-N	239.447	4.748	0	10	BJAE	
CC(C)CCN(C1CCCCC1)C1CCCC1	2000909636	PIOJUCIHWKBXLL-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@H](CCC)NC[C@]1(C)CC=CCC1	2001693471	HUWGJRFTOUUCNP-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CN[C@@H]1CCCCCC[C@H]1CC1CCCCC1	2003097168	DOJVTRNNIFDMAJ-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H]([C@H]2CCCCCCC2=O)CC[C@H]1C	2003116507	JEZHMAVHSZGRHU-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCC3(CC3)C2)c(C)s1	2003286583	DXRNXNDJJUOBMV-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CCC)c1ccco1	2003685520	LMCUWOGQJNEGQY-KGLIPLIRSA-N	237.387	4.537	0	10	BJAE	
CC(C)=CCC(=O)c1cc2ccc(F)cc2s1	2004197157	MFOCIJBPYFBDOU-UHFFFAOYSA-N	248.322	4.579	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H]1CCCCC12CC2	2005563172	IILCJHAGHDRAMU-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNCC)CCCCC1(C)C	2005587759	ZGRHUMAQNTUGPZ-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CC=C[C@](O)(CCCCCC(C)C)C1	2006652233	JZMIBJBXHOHCPT-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
C[C@H](CNc1ccc(CF)cc1)CC(C)(C)C	2007031711	RNHLHWDFLLQCJA-LBPRGKRZSA-N	237.362	4.640	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H](C)C(C)(C)C)CC1	2007681529	MPIUUQUFFXXQMJ-MFOWVQHXSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCC(=O)C1(C)CCC(C)(C)CC1	2007682691	DHWUHFDGUMELKU-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@@H](CC)C(C)C	2007939009	CVSBOAIHQOATET-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](O)C1CCC(CCC)CC1	2009598772	RMROOVMLBGUBOF-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@H](C)C[C@H]1NCCC	2009618594	DGVFPTPUHOZOFZ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@]1(C[C@H]2CCC[C@H](C)C2)CCCN1	2009773181	YCGZPAVSBDBXAI-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C1=CC[C@@H](C)CC1	2010626482	XZSHCQPLEVOHRV-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@H](N)CC[C@]12CCC[C@@H]1C2	2011032583	ZIESDDLLAUKQIH-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011994885	FVVAPVJCPRELRD-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC12CCC(CC1)C2	2012805210	CMGJCRHGJVOGAT-NPCAHTBFSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@]1(CCCC(C)C)CCC1(C)C	2014846898	RKYDOEWLJBWSJQ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(CCC(=O)[C@H]1CC[C@H](C)C1)C(C)C	2015390317	KDOVLCDEOMOAFN-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@]2(O)CCC[C@@H](C)[C@@H]2C)CCC1	2015640922	YEOJQXSLPRDIKP-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C[C@]1(C)C[C@H]1C	2016311043	BZEGSEVXJDJGLQ-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CC1(C(C)C)CCC1	2017111601	CSOCZOLFRNBWTE-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)CNCC1(C(C)C)CCC1	2017139699	YDIMPVVDDFKVHM-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC(O)(CCC)CC1CCC(CC)CC1	2017648987	RESXCHAFMLBWMY-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCC[C@](C)(CN)C[C@H]1CC[C@H](CCC)CC1	2017729653	YYCBCDWQBXSSJJ-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H]1CCCC[C@@H]1C	2019341399	ZYWGHZBHKIRLDW-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CCCN(C1CCCCC1)[C@H]1C=CCCCC1	2020536665	AXPGVJHUBGGUAA-HNNXBMFYSA-N	235.415	4.530	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1CCC[C@@H](C)C1	2020964439	HIIAXZKMCBMZCU-KBMXLJTQSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC[C@@]1(C)CNC(C)(C)C1)CC(C)(C)C	2022140937	JCHCSPDIGCTLAO-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CCCCC(C)(F)F	2023299931	QQESWCNXSPNZFH-QWHCGFSZSA-N	249.389	4.602	0	10	BJAE	
CC(C)CCCCC[C@H](C)[C@H]1CC[C@@H](N)CC1	2023548062	HGDFXEIFXUYAPF-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@@H]1CCCC(C)(C)C1	2024123136	KSSMYONTMYSDJL-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CCC1CC1)NCC	2026170138	NOSMHJUMYHLQHE-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CCC1(C)CC1)NC	2026170366	PENXCNYZGBAYIA-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCC[C@@H]1C[C@H]1C	2026170492	QADKLPBXIALFRR-ZJIFWQFVSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@H]1C=CCC1)NC	2026173133	ZEIDILVXQXHKKD-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N(C)[C@@H](C)c2ccccc2)C1	2027033806	MLAZELUIXNJDTJ-QSJFSLAZSA-N	245.410	4.504	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)c1cc(C)oc1C	2027311603	MKKOGDVIIBCBBC-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CC[C@H](NCCCC1(C)CC1)c1ccc(C)cc1	2027807399	FSLIASJKJPQBFZ-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccc(C2(C)CC2)cc1	2028611807	YUDBMPQALONWSQ-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2030241751	MERPSEFDMHZTIM-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H](N[C@H]2CC[C@H](C)CC2)CC2(CC2)C1	2030279981	RXRGKJTVTRRKNL-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C2CCC1([C@H](N)CC1CCCCC1)CC2	2033434759	IYCRLYLCVKZZBB-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@]1([C@H]2CC2(C)C)CCC=CCCC1	2033634385	VAXOHEZMYUCZBI-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@@H](CCc2ccc3c(c2)CCCC3)CCC1	2035561978	YZGZDDXAJFNBBE-OAHLLOKOSA-N	240.390	4.854	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@@H]1CCCCC12CCC2	2035886820	NFEGFNSGZVIKNS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)CCCCC12CCC2	2035927208	SOEIXMFWHGQIOC-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]3CCCC[C@]3(C)C2)CCCC1	2036668499	VHCNUIOAUCUILL-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
NC1(C[C@@H]2CC=CCC2)CCC2(CCCC2)CC1	2037165918	IEPUEQOHZYPUCQ-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
C[C@H](CC(=O)CC1CC(C)(C)C1)c1ccccc1	2037974622	NNUNHIIOARGWDI-CYBMUJFWSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H](NC)c2ccccc2)C1	2038137090	AGYGLSMMPDVPQN-INMHGKMJSA-N	245.410	4.554	0	10	BJAE	
CCCCc1ccc([C@@H](N)C2(CC)CCC2)cc1	2039719750	KUULPYOIIUZIKN-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)C12CCC(CC1)C2	2039864859	KIZREZUYDUKGSZ-VEAWUBTESA-N	247.357	4.515	0	10	BJAE	
C[C@@H](NCC1=CCCCC1)C1CCC(C)(C)CC1	2040642254	UKHDOQGHXMHWAJ-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](N[C@@H]2CCC3(CCC3)C2)CC(C)(C)C1	2043609188	XNTGPTSQQKAUIJ-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1c1ccc(C(=O)C2CCCCCC2)o1	2045561786	JESXOLAKIWBGOS-DGCLKSJQSA-N	246.350	4.556	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1[C@H]2CCCC[C@H]21	2045570631	HVNYCZHDNJABSL-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@H]1CC12CCCCC2)C1CCCC1	2047015475	JBNNZGIZZKWAGS-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@H]1C[C@@]12CCCCC21CCCCC1	2047559484	HKBCJJGLWKPYIM-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CNC2(C3CCC3)CCC2)CC1	2049352597	UXCZDIKPDNEANI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@](C)(N)C[C@H]2C=CCCC2)CC1	2049413545	ZAIMYBXGZYYCEM-ODZFXCKXSA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC([C@](C)(N)C2=CCCCC2)CC1	2049487509	XNJQYBMHQDZJSW-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CNC[C@]1(C[C@@H]2CC=CCC2)CCCC(C)(C)C1	2049513227	ZIIJOTPLLAZHSI-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)[C@@]1(C)C=CCC1	2050006536	NTXKHLULWVHSOJ-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)NCC1(C2CC=CC2)CCCCCC1	2053693068	BSKASSBKLSIPCM-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H]1CCC(C)(C)CC[C@@H]1C[C@@H]1C=CCCC1	2059004105	UJRLCNVJTBWBMY-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@H]1CCCC12CC2	2059170671	ABWTZWSMZIRVCB-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CC[C@H]3CC[C@H]2C3)C1	2059395220	IDDDNZFFTWNTIL-NCSWOWMGSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC=C([C@](C)(N)C2CCC(C)(C)CC2)CC1	2060908108	CFWAXSVGUQTXAL-DYVFJYSZSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC1CC(=C2CCC2)C1	2061704517	RVMKXSNULYPPLW-DYVFJYSZSA-N	249.442	4.811	0	10	BJAE	
C[C@H](CC1C[C@H]2CCC[C@@H]2C1)c1ccc(N)cc1	2063495255	AQUYBGNFPGQUAF-DAXOMENPSA-N	243.394	4.589	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CC23CCC(CC2)C3)CC1	2065313924	YKABBNXJBMCWER-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1[C@@](N)(CC)CCC(C)C	2065993331	RRWIZZNAUBBSFH-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCCN[C@H](CC1(CCC)CCC1)[C@H]1CC12CC2	2069341659	HQBDRJHGHLCKKP-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCNCC2(CC3CCC3)CC2)CC1	2069581720	UNUSPVNHVMLJAC-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H]1CCCCC12CC2	2072422653	DVKHXVZGXAKJAE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@](C)(N[C@@H]2C=CCCCCC2)C1	2072612914	XFCNTWHXNHINEH-NVXWUHKLSA-N	249.442	4.824	0	10	BJAE	
CC(C)C1CCC(N)(C[C@@]23CCCC[C@H]2C3)CC1	2074026443	ULFYGLVGPLVKKD-YZUHTNEWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@@]23CCCC[C@@H]2C3)C1	2074089559	DOSRFOZYJWQOBP-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2c1ccn2C[C@]12CCCC[C@@H]1C2	2074090390	JIESJMUPKURKCN-RHSMWYFYSA-N	239.362	4.530	0	10	BJAE	
CCCNC[C@@]1(CC2(CC)CC2)CCC12CCC2	2074623800	KRBABOQYFXBEGY-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1CCC2(CC1)CCN2CCC1CCCCC1	2074889833	VKOSOIGMCYSIHX-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@H](CC)N(C)Cc1c(C)cccc1C	2074923444	TXTUAQYLYQYNNL-INIZCTEOSA-N	247.426	4.704	0	10	BJAE	
CCN[C@@H]1[C@@H](C2=CCCCCC2)CCCC1(C)C	2076395866	OEFNNCIOZWNOIU-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1c(C)cccc1C	2077194552	JVBAOFVEGHCAKU-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
NCC1(C[C@H]2C[C@@H]2C2CCC2)CCCCCCC1	2079312467	QDRGEZYQQDNPTH-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]2C2CC2)CCCCCCC1	2079324354	NCCXGLVPYDFCMS-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2C[C@@H]2C2CCC2)CC1	2079330428	YJNNGNGSYNBQAN-DISOXQEGSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1C[C@H]1C1CC1	2079332915	MUQGXYZMEOYKIE-CVEARBPZSA-N	244.378	4.543	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1ccc(CC(C)C)cc1	2079476299	QJRGMBYJUUQDOD-HOTGVXAUSA-N	244.378	4.504	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1C[C@@H]1c1ccccc1	2079841607	JVELASLQVURCRR-LSDHHAIUSA-N	244.378	4.576	0	10	BJAE	
CCC[C@H]1C[C@H]1CN(CC(C)C)c1ccccc1	2079891818	WEJGOYMBQPWWPK-HOTGVXAUSA-N	245.410	4.585	0	10	BJAE	
CC(C)CNCC1([C@@H]2C=CCC2)CCCCCC1	2081682547	YRHNDXXPKLFSRW-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CC[C@H]2C[C@@H]2C1	2081788064	HUUBYJLMCDVFEP-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]1CC/C=C/c1ccccc1	2210662464	OVZCTRWUARSEOY-FGXJDMOWSA-N	214.352	4.916	0	10	BJAE	
CC[C@@H]1C[C@H](CCCCCCC2CC2)CCN1	2213572911	BMQMAQBHZHDOKO-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CCCCCCCC1CC1)NC	2213575529	GPDCATOAVLXLQI-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@@H](CC)C(C)C	2214582674	NBTUCUDHUNIZBC-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H]2CC[C@@H]2C)CC1	2215107749	CPOYWAJANGJJSJ-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CC(C)Sc1ccccc1NCC[C@H]1C[C@@H]1C	2215311370	HKHGTOYOQXIRGC-STQMWFEESA-N	249.423	4.645	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2(C)CC(C)(C)C2)C1	2215440214	PNEQCEPXKCZZGV-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(=CCCCCCCC1CC1)CCCCN	2216861143	DXRYKIWQGZUWEU-UHFFFAOYSA-N	237.431	4.812	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218349267	FWIAJQIQVCMSCW-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@@]1(C)C=CCC1	2220028927	XGJVPJWWENAUHV-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2CCC[C@H](C)CC2)CC1	2221642761	IXRSVDLMGSRTKQ-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](CC(=O)c1c(C)cccc1C)C(C)(C)C	2221918770	BNSLCJYRNQGOCS-CQSZACIVSA-N	246.394	4.949	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CC2=CCCCC2)c(C)c1	2221997976	DLGXDVWRAFUODQ-INIZCTEOSA-N	244.378	4.536	0	10	BJAE	
CNCCC=C(C)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222971243	GZNOODMOLACYCF-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
C(CCCN[C@@H]1C[C@H]2CCC[C@@H]21)CCCC1CC1	2223158607	KXROXLXFVUKTSC-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@]1(CNC2CCC2)C=CCCC1	2223541995	NJOQYYMNWSCWAO-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)C[C@@H](C)C(C)(C)C)cc1	2223968904	NOSSBPMHWULXNE-KGLIPLIRSA-N	246.394	4.740	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@H](CC)CCC	2244785709	XITHPDWLZBWEIW-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H](CC)CCC	2244800671	HROSREYUOMRNTR-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](O)CC[C@@H](C)CCCC(C)C	2244841445	OZJXKQNUMDUABI-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)c2csc(C)c2C)C1	2246372437	XTGHZKREPCGQSO-NOZJJQNGSA-N	248.391	4.540	0	10	BJAE	
CCC[C@H](CCCC[C@@H]1CCC[C@@H](C)C1)NC	2246659439	IMGULIMTSJYZFF-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC1(CO)CCCCC1	2247111944	IICVRKBHVDFQIW-LSDHHAIUSA-N	238.415	4.536	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@@H]1CCC1(C)C	2247448318	SLXDUAZXDGLSRB-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C[C@@H]1CCCC12CC2)NCCC	2247605128	HFSIYWJFGIDCIP-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC[C@@H]1CCCC12CC2	2247607794	UPEYCNFJPQBQTC-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@H]1CCC=CCCC1	2250384179	ZTBOLIIZDXNKNQ-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](CC[C@@]12CCCC[C@@H]1CC2)NCC	2251192965	CUGZZNCWLJOORS-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
Cc1scc(C(=O)C[C@@]23CCC[C@@H]2CC3)c1C	2251194460	JHHNOEPIUYBLLF-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
O[C@H](CCC1CCC1)c1ccc2ccsc2c1	2253062564	RKPVZZCQKAUJNI-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC1CC(C)(CC(=O)[C@@H]2C[C@H]2C2CCCCC2)C1	2253685313	HUDRXCAOEDIKTP-WSYIQSFVSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC=C(C)C)CC[C@H]1CCCCC12CC2	2253800347	AAZFHXRLBCBDSA-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@H]2CCC23CCC3)C1	2255017057	LHIDSDQMYNVYRY-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@H]1CCCC12CC2	2255232195	FFMWVBISNIPOHP-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@@H]1CCCC12CC2	2255245002	HHUCUWPEGZZXSM-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CC[C@H]2C2CC2)c1	2257905325	AAMFESLAUJTHFU-JKSUJKDBSA-N	243.394	4.585	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc(C2(C)CC2)cc1	2259435928	LDYABMPYCVUFDG-ZDUSSCGKSA-N	244.378	4.747	0	10	BJAE	
CCCc1ccccc1[C@H](NC)[C@H](CC)CCC	2259456305	VZBPOJPNPNBWQL-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CC(C)(C[C@H](N)C[C@]12CCCC[C@H]1CC2)C1CC1	2260583235	NRZHQLNOHBBLEU-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@]23CCC[C@@H]2CC3)C1	2260657867	LFXPKGDWSYDYKO-MKVSYHDVSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](C[C@@H]2C=CCCC2)C1=O	2261444685	SGYJGZNYKLYKLX-KGLIPLIRSA-N	248.410	4.764	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@@H](C)CC1CC1	2298926393	MEHKBFXNXXIARL-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C1(C)CC=CC1	2300704880	XLWQIBWJIGRRGJ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@@H]1CC=CCC1	2300704974	YSGBRMSSVWPUQS-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@@]1(CC=C(C)CC)CCC[C@@H](C)C1	2300861504	SHFLNHOUKVYZRI-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC[C@](C)(CNC1CC1)CC1CCCCCC1	2301189773	XKWAPFDKHRJUJC-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1C1(N)CCCCCCCCC1	2301299426	WQWVNMAVLAQOPA-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@H](C)[C@@H](C)C(C)C	2301837273	AUTFTMQIDHJRNF-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC(C)NCC[C@@H](C)CCCC1=CCCCC1	2302359423	QUCUGIPKSXZHJZ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CCC(C)(C)C1)C(C)(C)C	2302878569	QJVWUNFQKIEJJI-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)CC1(O)C[C@H]2CCC[C@@H](C2)C1	2307843387	KZTAPNKYUBGFES-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1(C)C(C)(C)C1(C)C	2307894444	MSSPUNBDNFYKBN-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2311717470	CEJMYTSLBSNEGK-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313324271	RKERKSZBOZSYFO-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@@H]1CCCCC[C@H]1C(C)C)C1CC1	2315278358	LUXGZTLUINTRLZ-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCN1CCCC[C@H]1c1ccco1	2316276243	WAWSBPLYYCKCIS-HNNXBMFYSA-N	249.398	4.633	0	10	BJAE	
CC=CC[C@@H](NCCC)c1ccccc1C(C)C	2316502081	IUVWLPPGQQKPJH-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
C(=C1CCC2(CCCN2)CC1)C1CCCCCC1	2316870985	WOFVQKUVLFOBJF-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
NC[C@@]1(CC2CCCCCC2)CCCCC12CC2	2316872727	CZMNVQASZFXOGL-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
c1cc2cc(OCC3CCCCCC3)ccc2[nH]1	2316886459	WMKJJLXDYFDPHD-UHFFFAOYSA-N	243.350	4.517	0	10	BJAE	
CC1(C)CC(=O)[C@@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316939753	MOPQRWNBBNSQOW-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@H](C)[C@@H](C)C(C)C)c1ccccc1	2317827919	OOHIKGLUTOQNAV-YQQAZPJKSA-N	247.426	4.656	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)CCC1=CCCCC1	2317965589	KZSWFOJWVODEOG-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(CCCC2=CCCCC2)C1	2318539588	PFDODGDYCSINLM-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)C[C@@H]1C[C@H]1C	2318569702	SGHCVDFZTMOBHM-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CNC[C@@]1(CCCC2=CCCCC2)CCC1(C)C	2318575961	KJFYVDPQVXKNSM-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
Cc1cccc([C@H](N)C[C@@H]2CCC(C)(C)C2)c1C	2319024123	LEGLKXWELYNQQS-GOEBONIOSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)C2(C)CC3(CCC3)C2)C1	2319113080	KKXRDJTXOASUKR-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@](C)(N)C23CCC(CC2)C3)C1	2319311380	JUMBVRILXSDVPN-OGOZQZCJSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@H]1CC[C@H]1C[C@@H]1CCC(C)=C(C)C1	2320390689	MEQOMXFMNOVWBO-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCC[C@@H](C)C2)cc1	21014165	SGNYGRPFQJMKMD-CZUORRHYSA-N	231.383	4.801	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccc2sccc2c1	36975638	NDTDDGYYRNVNFV-MNOVXSKESA-N	233.380	4.748	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1cc(C)ccc1C	70977692	XJSIZSQSONYMII-HUUCEWRRSA-N	231.383	4.684	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H]1CCC[C@H](CC)C1	71155687	PEZHPMWOXWIXDD-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC[C@H](CC)C1	80457207	BJGGHXMOQWYBSD-ZFWWWQNUSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](C)CNCCC	82763867	CUPJCRQCKQNMIO-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](C)CNC(C)C	82764034	NZQCNCNNLWBFEO-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CCC(C)C)CC1	83520696	FUEOQRFGUSSZTL-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
Cc1cccc(Cl)c1-c1ccc(Cl)cc1	85389103	ZOVSOTKAJCZHEZ-UHFFFAOYSA-N	237.129	4.969	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCC[C@@H](CCC)CC1	86946070	QLTIABSIHFPQCC-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
CCCc1ccc(N[C@H]2CCCC2(C)C)cc1	94303578	MVRTWQZXUUZTDE-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)c1ccc(C)o1	110226949	OQDPKGGSTHHXJT-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCCCCC[C@H](NC)C(C)(C)c1ccccc1	112899458	ZIPJAVJTFHZETO-INIZCTEOSA-N	247.426	4.523	0	10	BJAE	
Cc1cc(C)cc([C@H](C)Nc2ccc(F)cc2)c1	132418988	YPQFRAONUWXRCT-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCc1ccc([C@@H](C)NCCCCC(C)C)cc1	134296194	NHNLACXIUBYSKX-OAHLLOKOSA-N	247.426	4.726	0	10	BJAE	
C[C@@H]1CC[C@H](Oc2ccc(C(C)(C)C)cc2)C1	145655495	ZXICRTAUCVZQOS-DOMZBBRYSA-N	232.367	4.552	0	10	BJAE	
C[C@@H](C[C@H](O)C1CCCCCC1)CC(C)(C)C	157263093	LOXQJXCGVUFELY-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
N[C@@H](CC1CCCCC1)C1CCCCCCC1	158994974	VXDPOWVVRFBVHZ-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)C[C@H](N)[C@@H](c1ccccc1)[C@@H](C)CC	162451070	BTWXQTHFNFFOIB-NXNVCVFFSA-N	247.426	4.580	0	10	BJAE	
CCCCc1ccc(NCCCC(C)C)cc1	165200635	IAJHCMAEIAGTCR-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
Cc1ccc(C)c(C(O)(CC(C)C)CC(C)C)c1	165405825	YGTJJDMWHIYUKH-UHFFFAOYSA-N	248.410	4.583	0	10	BJAE	
CCCC(CCC)C(=O)[C@H]1CCC[C@@H](CC)C1	166305383	RVZNCWBFVSQCSL-HIFRSBDPSA-N	238.415	4.988	0	10	BJAE	
CCCCCCC(=O)C(CCC)CCC	167957983	QVKVELROHUAKKL-UHFFFAOYSA-N	212.377	4.742	0	10	BJAE	
CCCNCC(CC)(CC)C1CCCCCC1	168041216	AEEHCFQWAHLBDX-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
Cc1ccc(C)c([C@H](C)C[C@H]2CCCCC2=O)c1	196683253	JHERADDOHOZHPL-HUUCEWRRSA-N	244.378	4.556	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCC=CCCC2)cc1	201223175	VUVDWQNCVMTGAV-OAHLLOKOSA-N	242.362	4.704	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)c1csc2ccccc12	226527540	RLHCSUHAFVBKNC-MNOVXSKESA-N	244.359	4.520	0	10	BJAE	
Cc1sccc1[C@@H](O)C[C@H](C)CC(C)(C)C	227919382	ZRXLLZYXXFLEQI-GWCFXTLKSA-N	240.412	4.552	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C1CCCCCC1	229433623	XLJFDZUMLKQHSC-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CCC2CCCC2)C1	229481404	GYHQNRMGQNMKCJ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(-c2cccc(C3CCC3)c2)cc1N	229614553	RATQWWCXKMZAIN-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H]1CCC[C@@H](C)C1	233140296	FNITXVMMWCVRPD-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc(CC2CCC(=O)CC2)cc1	259097791	JTMAZSWWKJXKLV-ZDUSSCGKSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@H](C)[C@H](CCCC(C)(C)C)NC	300979809	UCWAOPBUNFLXEU-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@H](C)C[C@@H]2C)ccc1C	302278467	INXHAJOSJZWSGH-RVSPLBMKSA-N	245.410	4.794	0	10	BJAE	
c1ccc2c(OCCC3CCCC3)cccc2c1	305927253	JAWFZUOPTTXKLC-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
CC(C)(C)CCc1nc(-c2ccccc2)cs1	306012466	XVXQOTOLXLOVGV-UHFFFAOYSA-N	245.391	4.789	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC2CCC(C)CC2)C1	310310950	DTYPJRCLEJKNCC-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
C[C@H]([C@@H](O)C[C@@H](C)C1CCCCC1)C(C)(C)C	310582258	RNHQOYDASWWQGZ-NFAWXSAZSA-N	240.431	4.636	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@H]1C=CCCCCC1	310665614	AMHMWTDSMRADCE-CVEARBPZSA-N	243.394	4.535	0	10	BJAE	
Cc1cccc(N[C@H]2CCCCC23CCCC3)c1	310781882	RVQZFOZLRKWFRP-INIZCTEOSA-N	243.394	4.910	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C(C)(C)C(C)(C)C)c(C)c1	310782806	FTLGMKZSXLBFGP-OAHLLOKOSA-N	247.426	4.684	0	10	BJAE	
CNC[C@@]1(CCCC(C)(C)C)CCC[C@H](C)C1	316897820	JMAWCTZODDWRNT-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC[C@]1(C[C@@H]2CCC[C@H](C)C2)CCCCCN1	380028874	FVXBUVJQQFBNJZ-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC3CCC2CC3)c1	381937313	AFKRBUASDXYXEP-MQBCKMQZSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc(CC(=O)CCCCCC(C)C)cc1	383124134	JUNYWVFQDQIXHT-UHFFFAOYSA-N	246.394	4.713	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CC1CCCC1	383173908	LOKXWPFAIBFNSK-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@@H](C)C2CCCCC2)C1	383687425	SELJDORXOMQDDJ-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(NCCC2=CCCCC2)cc1Cl	385119069	FFZQWWQTHFBIAV-UHFFFAOYSA-N	249.785	4.951	0	10	BJAE	
CCCCC1CCC(C(=O)c2cocc2C)CC1	385211553	PQGFVQHTVVTCIX-UHFFFAOYSA-N	248.366	4.767	0	10	BJAE	
CCCc1ccc(C(=O)[C@H]2C[C@@H]2CC(C)C)cc1	387807488	JIDFTZSLWIGNEE-HOTGVXAUSA-N	244.378	4.504	0	10	BJAE	
COc1cc2ccsc2c(Cl)c1C(F)F	396188477	RZMSTJJZGRPTBX-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
Cc1c(F)cccc1C(=O)CC1CCC(C)CC1	398893941	APQPCCCVGQQKOW-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CN[C@@H](CCC(C)C)c1cccc(C(C)C)c1	688921756	QYERFRSWLZBATP-INIZCTEOSA-N	233.399	4.507	0	10	BJAE	
CC(C)=CCCN[C@H]1CCCCC[C@@H]1C(C)C	691149659	LXGJYZCRTQHVFI-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@]1(O)CCCCC[C@@H]1CC	691172698	XUHIYOSCEPWTKD-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](N)[C@H]1CCC[C@H](C(C)(C)C)CC1	695091548	KBFQAHJKYCIPAS-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@@H](CCC1CCCC1)NC	696552058	WJXACHLMUAVIOQ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1ccc2ccccc2c1	701122414	RHRGTVQCXTVCBK-MRXNPFEDSA-N	241.378	4.666	0	10	BJAE	
C1=C[C@H](N[C@@H]2CCC23CCCCC3)CCCCC1	703416529	BZOBJARMOOHUAQ-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CCCCc1ccc([C@H](N)[C@@H](C)CC(C)C)cc1	704757401	WWSXLZYYPDELSS-WMLDXEAASA-N	247.426	4.711	0	10	BJAE	
C[C@H](CN[C@H]1CCC[C@@H](C)CC1)CC(C)(C)C	709120702	BTJVJZBHMZBKNP-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H](C[C@H](C)CC(C)(C)C)C(C)C	709125190	NXPWGNPBIPYFIL-GJZGRUSLSA-N	241.463	4.721	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C12CCC(CC1)CC2	710187157	FNDNPGKUBYPBCA-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](O)(C[C@H](C)C(C)(C)C)[C@@H]1CC1(C)C	710707544	PGZMNLDRYHLNQY-ZENOOKHLSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@](O)(C[C@H](C)C(C)(C)C)C1CC1	710740421	BBQQQVQMXBBOLM-XJKSGUPXSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](CC(=O)CCc1ccccc1)C(C)(C)C	711183140	BMWGDZMGVLXTCM-HNNXBMFYSA-N	246.394	4.651	0	10	BJAE	
CC[C@H](C[C@H](N)CC(C)(C)C(C)C)C(C)(C)C	713134349	TYQHKDNVMVUXLO-KGLIPLIRSA-N	241.463	4.848	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)CC(C)(C)C(C)C	713170706	VLXXWBCYCRHZCQ-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@@H](CC(C)(C)CC)C1CCCC1	713248751	AJNDYYDIEIZLQN-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)c1ccc(Cl)s1	713267944	SAPRKAJRTCVKBZ-SECBINFHSA-N	246.803	4.507	0	10	BJAE	
C=C/C=C\CCc1ccc(C(F)(F)F)cc1C	713643599	HWGLZKXBVZJUKK-PLNGDYQASA-N	240.268	4.689	0	10	BJAE	
CC(C)=C(C)CCc1c(C)cc(C)c(C)c1O	718575023	NXRKNKPTTPLLDX-UHFFFAOYSA-N	232.367	4.606	0	10	BJAE	
CC(C)=C(C)CCc1cccc(OC(C)C)c1	718647613	LVVHFBMHXRHDSC-UHFFFAOYSA-N	232.367	4.763	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1CC[C@@H](C)C1	718650396	HKXORFACQXHSCP-VNQPRFMTSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](O)(CCCC1CC1)CC1CCCCC1	720946638	YSDINCHXTTWRNE-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN1CCCC12CCCCC2	1168233197	FHNBFBYZGPZIJF-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCC(CC)(CC)SCCC(C)C	1307329321	BQOPGZRXOYAOQZ-UHFFFAOYSA-N	202.407	4.735	0	10	BJAE	
C/C(=C\Cl)CSC[C@@H]1CC2CCC1CC2	1651944462	VYHDGZULTGAWIF-RLKNONNGSA-N	244.831	4.689	0	10	BJAE	
CC[C@H](C)Sc1ccc2c3c(cccc13)CC2	1652166420	DRSNNGCEHFZKRK-NSHDSACASA-N	242.387	4.829	0	10	BJAE	
CCCC[C@H](C)NCC1(C)CCC(C)(C)CC1	1652674339	DGIULEUFPYAAEI-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C/C(=C\Cl)CS[C@@H](C)c1cccc(F)c1	1652796693	FLZPSYQPZUORKR-PCYYEKQGSA-N	244.762	4.763	0	10	BJAE	
CCSCc1ccc(N[C@H]2CC[C@H]2CC)cc1	1659811995	BWUGTUQKHOPTQF-HIFRSBDPSA-N	249.423	4.540	0	10	BJAE	
CCC(CC)c1cccc2ccsc12	1889470164	LDYLHYPSUBWHLK-UHFFFAOYSA-N	204.338	4.805	0	10	BJAE	
CCC(CC)CC[C@H](N)c1sc(C)cc1C	1900694700	BJXVWSFUYCPLIY-ZDUSSCGKSA-N	239.428	4.581	0	10	BJAE	
CCC(CC)CCC(=O)c1scc(C)c1C	1900712501	JPGTUXAMFOFZQB-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@@H]1CCCC[C@@H]1CC	1911933185	BTCWVLYPSUBQQE-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCC=Cc1ccccc1	1912094003	JPUZPYKDEVRVRB-OAHLLOKOSA-N	245.410	4.504	0	10	BJAE	
Cc1cccc(Cl)c1NC1CC2(CCCC2)C1	1912721614	ZSDWFVCORZZATP-UHFFFAOYSA-N	249.785	4.783	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H]1CCCCCCCC[C@H]1O	1913394119	ZVYORJXYVNAXCU-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CN[C@@H]1CCCCCCCC[C@@H]1C[C@H]1C=CCC1	1913410196	ILGHMFHJEXMUPA-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@]1(O)CCC2(CCCCC2)C1	1915864933	OWOMBMVCMYWKMW-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)Cc1ccc([C@](C)(O)CC(C)(C)C)cc1	1919649422	OUARQZGJRVGKMF-QGZVFWFLSA-N	248.410	4.529	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)C1CC(CC)C1	1921269960	BCXAVHSRSOVZRW-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCn1ccc2c(Cl)cccc21	1921445102	DYFQSUZCCKCNFE-NSHDSACASA-N	247.769	4.731	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H]1CCCC12CCC2	1921585839	JNDGEOQLYLLZMV-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@H](C)C1CCCCC1	1924112260	XGNNLFCIFCXSDE-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cc2cccc(C)c2o1	1926383370	KUJKKQYUAOKLCN-CQSZACIVSA-N	245.366	4.567	0	10	BJAE	
CCCC[C@@H](CCCCCC1CC1)NCC	1936414977	HERUGQWJHAKQQB-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)[C@@H](C)CCC(C)C	1937162529	YOXVOFXEXAUJLF-KBPBESRZSA-N	226.404	4.700	0	10	BJAE	
CCCC[C@H](O)CCC1CCC(C)(C)CC1	1939135018	QSERUOGRXWOSGW-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](O)CCC1CCC(C)(C)CC1	1939135019	QSERUOGRXWOSGW-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC1(C)CCCCC1)NCCC	1940406354	GBQUJBWTVJSMAH-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC(CCC)[C@H](O)CC1(C)CCCCC1	1940408852	MONAADAOVODGCZ-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](C)[C@H](CC1(C)CCCCC1)NCC	1940412838	ATDJUGVHZYYEJB-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)[C@H](C)C(C)C	1940863610	MTUJAIHCWISQAJ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CSc1cccc(NCCCCCC2CC2)c1	1941573036	IYPBZSOREMZZPP-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@H](C)C1CCCCC1	1944640209	DJKLULYSUTVODK-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H]1CCC(C)(C)C1	1945584407	FWFFQSJUDITCCN-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC1(O)CC(C2CCCCC2)C1	1945951801	FFBPECYMKFPQEG-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCc2sc(-c3ccccc3)nc21	1947440766	SXAQATFGJRZXKP-LLVKDONJSA-N	243.375	4.640	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)C1CCC(CC)CC1	1947464100	GDSKINWMSPQCNN-BHDPWAOGSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C2(O)CCCCCCC2)C1	1947545284	DMMDARSUCLBSID-FICVDOATSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1C=CCCC1)CC(C)(C)C	1947550972	BCKJCIFIKUPGAQ-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
CCC1CCC([C@@H](N)C(CC)(CC)CC)CC1	1948933182	INDCUNHNSTYSCD-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@](O)([C@@H]2CCC(C)(C)C2)CC1	1949451244	HGVVHZKSIRFPFN-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC=C[C@@H](C)Cc1cc(C)ccc1OCC	1951308625	KJIPHIFJXDCULO-CYBMUJFWSA-N	232.367	4.539	0	10	BJAE	
CCCC(CCC)NCc1ccccc1C(C)C	1963217681	BQKXCGXGBBNABW-UHFFFAOYSA-N	247.426	4.868	0	10	BJAE	
CCCC[C@H](CC)NC1CC(CC)(CC)C1	1963228193	CXGHBNDJTSRIGL-ZDUSSCGKSA-N	225.420	4.514	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](NC2CCC3(CCC3)CC2)C1	1965978240	FANLWKPHADSTRI-ZBFHGGJFSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCC[C@@H](C)CC2)C1	1965989669	YYOJUNZJCPIOQJ-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H](C)COc1cccc2c1CCCC2	1968652393	RUTQEANFSXOVBH-CQSZACIVSA-N	246.394	4.626	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1N[C@H]1CCCC2(CCC2)C1	1968831870	YMZBAMAESBNXFH-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CCCCC1(NCC2CCC(CC)CC2)CC1	1973254423	FLMLDTRYISBLFR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)c2cccs2)C1	1980686927	HWSFGPAQRTUMOR-RYUDHWBXSA-N	236.380	4.537	0	10	BJAE	
CCCC(CCC)N[C@@H](C)C1(C)CCCC1	1987620610	KBVAMCPZMZXQDO-ZDUSSCGKSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@](C)(N)CC1CCC(CC)CC1	1989815406	ZRPGPJQGKWMQPP-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CCC1(C(=O)c2cc(C)c(C)s2)CCCC1	1989974827	YMKCGQPGWIWVLB-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
Cc1cscc1NCC1CC2(C1)CC(C)(C)C2	1996773871	VAADWCXGEFGVRD-UHFFFAOYSA-N	249.423	4.685	0	10	BJAE	
CC[C@H](C)CCNC[C@@H]1CCC[C@@H](CC)CC1	1997216156	TUDCKURQPURZAJ-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc(N[C@@H](C)C2CC(C)(C)C2)c1C	1998658648	TYYQGDRANLSSKH-ZDUSSCGKSA-N	231.383	4.540	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCC2(CCC2)C1	1998696577	QCZQABHAXHIPOG-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCCC(CCC)C(=O)[C@H]1CCCC(F)(F)C1	2000105498	KSPOPUHKTDROGZ-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CC(C)c1nc2c(s1)CCCC21CCCCC1	2001564999	HWKYOGUVOMTUQO-UHFFFAOYSA-N	249.423	4.805	0	10	BJAE	
CCC1CCC([C@@H](C)NCC[C@@H](C)CC)CC1	2002930806	YTWRYXLCOYKWAK-QRNKSROTSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1CCC(C(=O)CC2CC2)CC1	2003067761	AVWBTIQXGQWQKA-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)=C(C)CCCC(=O)c1cccc(C)c1	2003628314	MJCUWJIOJCEGSR-UHFFFAOYSA-N	230.351	4.704	0	10	BJAE	
CC[C@@]1(C)CCCN(C[C@H](C)C(C)(C)C)CC1	2004340136	XEEJXGZEPAHMQR-HOCLYGCPSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@H]1C[C@@H](CCC=C(C)C)C[C@@H](C)C1	2006621449	AWFRGKHCNKMTJO-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1C[C@H](CCCC(C)(C)C)CC[C@H]1C	2006955526	BGWQDGCOKRTFOH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C1=CCC(C)(C)CC1)[C@H](C)CC	2010715567	LGZCKQAAOOHDOX-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)c2cc(C)sc2C)CC1	2010730056	USJBRODFSJOZIX-DOMZBBRYSA-N	249.423	4.501	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)c2sc(C)cc2C)CC1	2010735219	BQUIDJQTPRAARH-OCCSQVGLSA-N	249.423	4.501	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1CC(=C2CC2)C1	2011056570	DFVCSFPRCUTWMY-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCC[C@H]1C[C@H]1C)NC	2011581718	YVJHDYXUKKRPLT-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C[C@H](C)C(C)(C)C	2013308614	HYPSZAKLSFKLSH-LSDHHAIUSA-N	241.463	4.815	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CCC1CCCC1	2013310050	VWICMQHLMVKSIC-MRXNPFEDSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)C)C1(CC)CCC1	2015274112	WWDJQBHAZZMIIO-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@](C)(N)[C@@H]1CC[C@H](C)[C@@H](C)C1	2016114446	HDJINCOFDBRKOM-JONQDZQNSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@](O)(CC)CC1(C(C)(F)F)CCC1	2016719970	MSFMKMJSAUPGPP-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)CC1(C(C)(C)C)CCC1	2017129510	PKPHZMUAJNMEPN-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H]1CC[C@H](C)CC1	2017650986	OEDYWJIXGSPJEG-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@](N)(CC)CC1CCC(CC)CC1	2017728193	IRFZKAVEWKKURR-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCCC2(C)C)CC1	2017730678	JUNSXTILRAPCIS-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CC(=O)[C@]2(C)C[C@H]2C)CC1	2017775818	HGHFBOIHADNGLT-UWLZSVRSSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2018132312	YEZDFGPUEJTSBF-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1CC[C@H]2C[C@@H]2C1	2018134051	KPZRWVLSWJLLHN-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)NCC1(C)CCCCC1	2018138485	HSUIHYUHHBPOEW-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC1(C[C@@H](O)C2(C)CCC(C)(C)CC2)CC1	2018967872	OWBRKJQMJZJJAE-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@]2(N)CCC[C@H](C(C)C)CC2)CC1	2018982302	KRWBSQKVADFWLG-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)N(CC)Cc1csc2ccccc12	2019277144	HEFHUSYIKJGYIH-GFCCVEGCSA-N	247.407	4.522	0	10	BJAE	
CCCCCC1CC(N(C)[C@@H](C)CC(C)C)C1	2019304447	VRAGYZGTXKLNTP-FHERZECASA-N	239.447	4.712	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC=CCCC1)C(C)(C)C	2019852142	IKQVLBGDQOEHJI-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
Cc1ccsc1[C@](C)(N)CCC1=CCCCC1	2019865542	GFGRYBNUBNFUPM-OAHLLOKOSA-N	249.423	4.511	0	10	BJAE	
CCCCN(C1CCC1)[C@@H]1CCCC(C)(C)C1	2020634872	DOPWIIDRDPLDAT-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@@H](NC)C(C)(C)C1CCCCC1	2020966583	OXCUYLCELPPXIZ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCSC[C@H](C)Nc1ccccc1C1CC1	2021028245	OMHUYCBNVXCYLR-LBPRGKRZSA-N	249.423	4.508	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1C[C@H]1C1CCCC1	2022556636	HSKJQMQZVLQNPM-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
CCCCCC(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2022560262	NDTFWEHPXNJTPN-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CCCC(=O)c1cc(C)cc(C)c1C	2024074496	YNAMLJLHLHLLBF-UHFFFAOYSA-N	230.351	4.541	0	10	BJAE	
CC1(C)CC(CC2(O)CCCC2)CC(C)(C)C1	2024114564	CJFQFTVYRSVGFV-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CC=C(C)C)NCC	2026057990	BJHCPTQFRLPTSA-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CC[C@@]1(CC2CCCCC2)Nc2ccccc2O1	2027874783	JXAWCNFGQBRLNW-MRXNPFEDSA-N	245.366	4.568	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C1(C2CC2)CC1	2028102070	WONABZJVIYZWHC-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CCC(=O)C1CCCC1	2029173303	DQXPGZUCOQXAPI-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)[C@@]12CCCC[C@@H]1CCC2	2031756383	CNBAYUJKNXXZQD-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@@]12CCCC[C@H]1CCC2	2031760506	MBIZHCVERSDEFT-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1C[C@H](C)C[C@@H](C)C1)c1cccc(N)c1	2031801516	OIICYJXBBYLXLM-MCIONIFRSA-N	245.410	4.835	0	10	BJAE	
Cc1ccc([C@H](O)C(C)(C)C2CCCCC2)cc1	2032276438	OHYUVJDKTBRQQV-INIZCTEOSA-N	246.394	4.635	0	10	BJAE	
CCc1cccc2ccn(C[C@H]3CCC[C@@H]3C)c12	2032484610	SKFAKKGDBZFEJW-XJKSGUPXSA-N	241.378	4.640	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC12CCC2)[C@@H]1CC1(C)C	2035886600	QXWXXEUKOMKQFK-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c([C@H](N)C2=CCCCCC2)cc1C	2037101244	WTMDDRAQPXVSPG-QGZVFWFLSA-N	243.394	4.502	0	10	BJAE	
CCC[C@H](NC[C@@H]1CCC2(CC2)C1)C1CCCC1	2038584091	SURAHOTUZDTCGN-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1(N)C[C@@H]2CCC[C@H]2C1)C1CCCCC1	2038626813	RTOCCBYHONXDNG-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@@H]1C=CCCCC1	2039042678	XBXIQCUKFNUQMC-IKGGRYGDSA-N	249.442	4.680	0	10	BJAE	
C[C@@H](C[C@H](N)[C@H]1CC12CCCC2)C1CCCCC1	2039077985	DMQRXBYVOQRKIH-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCC[C@H](C)CC2)cc1F	2039373350	HOUHUPOEELYHHJ-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CN[C@@H](C)C1CCCCC1	2039445809	AMANWRBLDJJHCE-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N[C@H](C)C23CCC(CC2)C3)cc1C	2039860668	XRXXALSPFSXHOW-HPUBIQBYSA-N	243.394	4.684	0	10	BJAE	
CN(CCCC1CCC1)[C@H]1CCCC2(CCC2)C1	2041297614	VVHPNLBDVHSVNE-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H](C)c2ccco2)CC1	2041377690	XVHRXUMZKFRJCB-KFWWJZLASA-N	249.398	4.537	0	10	BJAE	
CC(C)=C(C)CCN1C[C@H](C)C[C@H]2CCCC[C@@H]21	2041879563	CSLZIZUAHMCEAJ-OIISXLGYSA-N	249.442	4.633	0	10	BJAE	
CCN[C@H]([C@H]1CCCC[C@@H]1CC)C1(C)CC=CC1	2042018481	FWSIYWFVWNSINV-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1CCC([C@H](C)N[C@H]2CCC3(CCC3)C2)CC1	2043607566	SKBXZUBVNWHFST-GRAKBVBRSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@H](N)C[C@@H]2CCC=CCCC2)cc1	2045304613	HHFQRBMXPXMCFK-NVXWUHKLSA-N	243.394	4.521	0	10	BJAE	
CC(C)[C@@H](C(=O)CCC1CCC1)c1ccccc1	2045673176	CWHABFHZPFKKHR-QGZVFWFLSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2C[C@H]3C[C@H]3C2)CC1	2045844322	HGOZUSABZBBHRC-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2CC23CCCC3)CC1	2047020530	QFHVCOJBGYKBPA-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2C[C@H]3CCCCCC[C@@H]32)C1	2047437949	PNCUDLUZPVXLNM-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@@H]1CCC12CCC2	2047965057	LXUIWAATEDOFJW-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@]2(CNC(C)(C)C)CCC23CCC3)CC1	2048879199	GNUHXVDKXJJCCA-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1CC[C@H]2C[C@@H]2C1	2049644162	TZEJCLPSRKXYBM-JONQDZQNSA-N	248.410	4.742	0	10	BJAE	
NC1(CC2[C@H]3CCCC[C@H]23)CCCCCCCC1	2049676843	XGCPWETYRYVFBP-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)CC1CCC2(CC1)CC2	2049855694	OYGIIQFPFRGMKB-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@H]2CCCC3(CC3)C2)C[C@H]1C	2049856194	OAHQJNQTUSKAQC-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@H](C)C1)[C@@]1(C)C=CCCC1	2050008632	VJKOVOULUSONSQ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCC[C@H]3CC[C@H]32)CC1	2052279696	KWXHOCAAEABIRP-TXOGFHGLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@H]1CCCC2(CCCC2)C1)C1(C)CCC1	2052357421	XORYAEFQDVARDL-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC2CC2)CCCCC12CC2	2053355021	GVMPFBDSSYYILH-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC=CC[C@@]1(CNC(C)(C)C)CCCCC12CC2	2053362796	ZEPDTZNAPBHKOL-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C1(C)CCC2(CC2)CC1	2056557813	YDSPJELIJLFSMU-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@H]1CCC[C@H]1C	2056882266	IODCVOXRZCHMOY-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC=CCCCNC[C@@H]1C[C@H]2CCCCCC[C@@H]21	2059225852	SCQHNYSZPUYUTE-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C/C=C/CCC[C@@H](CC12CCC(CC1)C2)NCC	2059253066	NPKHFIAOUMAXSY-DSBFIYNKSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1=CC[C@H](C)CC1)CC1CCCCC1	2060931481	ZXCQHOVIZMNXLI-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@H](CCC2CCCC2)NC)CC1	2061149109	AIHAFALRPHVLPB-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2CC(=C3CCC3)C2)C1	2061701663	MOMWMTQAAGVFCG-IUODEOHRSA-N	246.394	4.662	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)(C)C)C1CC(=C2CC2)C1	2061737252	PFICOQVBZVYLOG-WBMJQRKESA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCC12CCCC1CCC2	2063902932	LWCUINKWMYJYLU-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1[C@@](O)(CC)CCC(C)C	2065988621	VKILCYKRFOTJSR-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CCC2)[C@H]1CCC1(C)C	2068347504	BXNLSFPYKVPJHN-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2CC23CCC3)cc1	2069180826	AVUKPWFEAAABKK-ZFWWWQNUSA-N	244.378	4.769	0	10	BJAE	
CCCC1(C[C@@H](N)C23CCC(CC2)CC3)CCC1	2069345848	ZFELEISRAJXIRU-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
Cc1ccccc1[C@H](O)CC1(C(C)(C)C)CCC1	2071904544	QYBPWYBBUMMBFU-OAHLLOKOSA-N	246.394	4.635	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1C(C)=CCC[C@@H]1C	2072424263	JLSIXHGBERRONP-USXIJHARSA-N	249.442	4.703	0	10	BJAE	
CCCC1CCC(CNCC2(C)CC=CC2)CC1	2072682275	SPBGUURGKLFYIR-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2Cc3ccccc3N2)CC1	2072816935	ZEPARWAAQRFUQO-IIAWOOMASA-N	243.394	4.630	0	10	BJAE	
CCC1CCC(CC(=O)[C@@]2(C)CC=CCC2)CC1	2072871065	KNRPQQXDQWQIOL-DQPZFDDXSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2CCCC23CCC3)CC1	2072872010	WMIIUJQAKHFUJA-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2CCC3(CC3)C2)CC1	2072876209	XLHUZXZKVFNTNN-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCC1(CN(C)[C@@H]2CCC3(CCCCC3)C2)CC1	2074589950	HPQRHSYGYMNKPV-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(N(C)CCCCCC(C)C)c(C)c1	2075145415	GXVZQIRBRAFFDQ-UHFFFAOYSA-N	247.426	4.956	0	10	BJAE	
C1=C[C@@H](N2CCC[C@@H]2C2CCCCC2)CCCC1	2075405410	OZAMBAGODZDJSS-IAGOWNOFSA-N	247.426	4.530	0	10	BJAE	
CC=CCCC[C@H](NCC)c1c(C)cccc1F	2076041072	PARCGJAUFNFGLH-HNNXBMFYSA-N	249.373	4.531	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H]1CCCC12CCC2	2077187787	QBYXWHSMMXQMRC-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCC1CC1)[C@@H]1C[C@@H]1C1CCCCCC1	2079432321	RRSGMFRUOMWMHR-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H]1CCNC2(CCCCC2)C1	2079705664	INOGTTVFKDZNID-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(C)c1NC[C@@H]1C[C@H]1C(C)(C)C	2080028795	VQVKWFSSOSZOEF-LSDHHAIUSA-N	245.410	4.652	0	10	BJAE	
C[C@@H]1[C@@H](N(C)[C@@H]2C=CCCCCC2)CCC[C@H]1C	2081138381	VOYBBAAYVWATGU-TWMKSMIVSA-N	249.442	4.632	0	10	BJAE	
CCc1ccccc1[C@@](C)(O)[C@@H](C)CCC(C)C	2081225565	YKDGUGOTIBLDOP-YOEHRIQHSA-N	248.410	4.529	0	10	BJAE	
C[C@@H]1CCC[C@@](CNC(C)(C)C)([C@@H]2C=CCC2)C1	2081682374	USPKNKJFNPWBGF-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC(=CC1CC(C)(C)CC(C)(C)C1)[C@]1(C)CCN1	2082990900	LXLFSNBOYZEJRX-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1C2(CC2)C12CC2	2083540268	WIEIYNBCHHRIKQ-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@@H](N)CC1CC2(C1)CC1(CCC1)C2	2083615776	PVCDSZWGKRYADH-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H](C)[C@@H](C)CC	2212631435	PCHSXKOZJZNWGR-WDEREUQCSA-N	239.790	4.749	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CCCCCCC1CC1	2213582441	HUHIEABRSIZLQB-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
C(=C/c1ccccc1)\CC1[C@@H]2CCCCC[C@@H]12	2213825255	RDLRJDGBRLQXOP-XKQHDHNFSA-N	226.363	4.916	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1c(C)cccc1C	2216046109	LQXBDBZYYMYRBC-ZBFHGGJFSA-N	234.383	4.553	0	10	BJAE	
CC(=CCCCCCCC1CC1)[C@@H](N)C(C)C	2216861553	HRAXYXXXBKNCPA-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@]1(O)CCCCCCCC1CC1	2216865181	WFMZSWGCVUXVMD-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218355430	BZFJZLSOVLILDW-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
NCC1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCCC1	2218367710	SMAMRZJNXXPQAO-ZSHCYNCHSA-N	249.442	4.502	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1CC12CCCC2	2218719992	DQEDYKHWOQEWSA-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CC1(C)CC(C)(C)C1	2221024329	AGRMQUXYONZWNJ-RRFJBIMHSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H]([C@@H]1CCC1(C)C)[C@@]1(C)CC=C(C)CC1	2221630295	IEPXVPQXQQHUCN-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](CNC(C)(C)C)(C2CC(C)C2)CC1	2221654478	OQWYPZSQHIIKKA-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@H](C(C)(C)C)C1)C1CC=CC1	2222265963	LTEZQDRKLDQZRK-CWRNSKLLSA-N	249.442	4.536	0	10	BJAE	
CC[C@H](C)NCC1(C2CC3(CC3)C2)CCCCC1	2223579579	ZNERLVXDAKGEAJ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN2[C@H](C)C[C@H]3CCCC[C@H]32)CCC1	2224078747	IBKARZRGCOVIKS-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CCC(F)(F)CCCC1=CCCCC1	2241441667	UPSREEQHEJNCON-UHFFFAOYSA-N	202.288	4.702	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCCCC23CC3)cs1	2246618985	ZUBWPDYWLTXHLW-CYBMUJFWSA-N	248.391	4.600	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CCCC[C@H]1C[C@H]1C	2247172514	AQOWTKSBQXYWPU-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](CCCC[C@@H]1C[C@H]1C)NC	2247174007	UYIDYDQIJNLUOC-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C(=O)CC1=CCCCC1)C(C)C	2247536757	XXVMCWCKRHJXFS-OAHLLOKOSA-N	236.399	4.764	0	10	BJAE	
C[C@]1(CN)CCC[C@@H]1CCCCCCC1CC1	2249928208	VUXDYKARRCFTKT-JKSUJKDBSA-N	237.431	4.502	0	10	BJAE	
C[C@@H](C(=O)c1ccc(C2CCC2)s1)C1CCC1	2250277530	VIZIDAPZLVLKDH-SNVBAGLBSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC1=CCCCC1)NC	2250356239	DIUSMIBKGDGYCM-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C1=CC[C@@H](C(C)C)CC1	2250387676	QWYYXICGFVWGRH-SQWLQELKSA-N	237.431	4.523	0	10	BJAE	
CNCCCC(C)=CC[C@@H](C)CCCC(C)C	2250515646	BCBGWPSVXQPMQI-HNNXBMFYSA-N	239.447	4.785	0	10	BJAE	
Cc1ccsc1C(=O)C[C@]12CCCC[C@@H]1CC2	2251151634	YTSIZGWALMZCQC-IUODEOHRSA-N	248.391	4.600	0	10	BJAE	
CC[C@H](C)C[C@@H](N)CC1CC(CC(C)(C)C)C1	2251491697	IFYBJLZSFXJNQM-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](Nc2ccccc2)C1	2251672568	DKIAHHXLCKSLHC-AWEZNQCLSA-N	231.383	4.703	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251719661	BZWIQVYAYLQWDN-QWHCGFSZSA-N	238.415	4.700	0	10	BJAE	
CC1=C[C@](O)(CC[C@H]2CCCCC23CC3)CCC1	2253890075	ORCIUKXCPGTCJX-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC[C@H]1CCC[C@H](C)C1	2253932750	BWXFYRHMRMUMHG-LXZKKBNFSA-N	245.410	4.601	0	10	BJAE	
Cc1cc(C)cc(C(=O)CCCC[C@H]2C[C@H]2C)c1	2254592985	OQQXHRMNEKZKCD-CABCVRRESA-N	244.378	4.703	0	10	BJAE	
C1=C(CNc2ccc(C3CCC3)cc2)CCCC1	2255093901	JJZPAGOBCGCZRK-UHFFFAOYSA-N	241.378	4.866	0	10	BJAE	
NC1(CC2=CCCCC2)CCC(C2CCC2)CC1	2255096643	MGMPIPOWFALHNF-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C[C@@]1(C(=O)CC[C@@H]2CCCC23CC3)C=CCCC1	2255315271	LNKMKFDYEDFDQQ-GOEBONIOSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC[C@@H](O)c1ccccc1	2257251524	GYPSLOANSLMCKD-HYVNUMGLSA-N	246.394	4.717	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccc2ccccc2c1	2259447322	MCOQNPFHYLVWIV-CXAGYDPISA-N	241.378	4.666	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@@]12CCC[C@H]1CC2	2260598848	COJPBVJFXQPMAH-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCC[C@@H]1C[C@H]1C)NCC	2298645908	CLWZLJVPZAMXLE-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@H](C)CC2CCC2)CC1	2298848672	DFKWXUNAIDHEDR-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H](C)CC1CCC1	2298930259	JRUDNGYNWMTNKY-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCC[C@H]1CC1(C)C	2300506074	UJWLAIDAPPZHSH-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCC(C)=CC[C@H]1CCCCCCCC[C@H]1O	2300868393	YMURVDKXCHVNTR-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CC(=CC[C@@H]1CC[C@@H](N)[C@H]1C)CCCC(C)C	2300881282	RKZULVMCXRPNDW-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
CC(=CC[C@](C)(O)CC(C)C)CCCC(C)C	2300916451	NUODMRJJMQZQJQ-INIZCTEOSA-N	240.431	4.946	0	10	BJAE	
CC(C)C[C@H]1CC[C@]1(N)CC1CCCCCC1	2301140747	ROPHPSOWIUPJSC-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@@H](C)[C@@H](C)C(C)C	2301837266	AUTFTMQIDHJRNF-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CC=CCCC[C@H](CCC[C@H]1C[C@H]1C)NCC	2302611188	BLDCBDOJYNVTMD-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)Nc1cc(F)cc(CC)c1	2304019516	YENYWIGPVCXXDG-CQSZACIVSA-N	237.362	4.769	0	10	BJAE	
CCCCCC[C@H](O)C12CC(CC(C)C)(C1)C2	2304395794	FJPMWUZPTLJUIZ-FHERZECASA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@@H]2CCCC[C@H]2N)C1	2304415856	NJHDBLIZXBZDDA-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC[C@H]2CCC(C)(C)C2)C1	2304421443	YBTYRBJYNJAOJZ-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)c1ccccc1	2307897844	FKIJAUSTYYIWGI-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
C[C@@H](N[C@H]1CCC[C@@H]2CC[C@H]12)C1CCCCCC1	2309518207	RLPLQGLHYIBUPT-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)CC[C@@]23CCC[C@@H]2C3)C1	2310379838	IOVICUVPMUWQLQ-ZOFXXKQRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@]1(C(CC2CC2)CC2CC2)CCCCCN1	2313585446	XKWRGDKZQNNBDL-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1([C@H](C)CC2CCC2)CC=CCC1	2313597607	BUCUGIWRAJYUOG-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1ccc(C)c(CC)c1	2314713664	VTVLNXSMRMVLGJ-IRXDYDNUSA-N	248.410	4.663	0	10	BJAE	
CC(=CC=C1CCN[C@@H]1C(C)C)CCCC(C)C	2316535366	GZOGJZNNLDUHNF-QGZVFWFLSA-N	249.442	4.703	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)[C@@]12CCCC[C@@H]1C2	2318578947	PODJUDPPEKCNGT-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@](O)(CCCC2=CCCCC2)CCC1	2318582325	BLRNLKOSIUCWPO-QGZVFWFLSA-N	248.410	4.909	0	10	BJAE	
NC1(CCC[C@@H]2CCCCC23CC3)CCCCC1	2318862170	AVTQUKYTLYNPCQ-HNNXBMFYSA-N	249.442	4.789	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC(=O)[C@@]1(C)C=CCCC1	2320220774	BRGXIYLKWLAEBN-ZQIUZPCESA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@@H](NCC(C)(C)C2CCCC2)CC1	2320239054	ASSQROVDZMCLCY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(=C[C@@H]1CC[C@H]1C(C)(C)C)c1ccc(N)cc1	2320317342	IEXDKTHNQCTTLM-GOEBONIOSA-N	243.394	4.744	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@](C)(N)[C@H]2CCC2(C)C)CC1	2320328178	OWCQXZVOIDOLAU-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC[C@@H]2C(C)(C)C)CC1	2320410429	DOUBIISDYXWOPW-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)CCN(C)Cc1cccc(C(C)C)c1	2320636081	JTBCAASGWMBISJ-OAHLLOKOSA-N	247.426	4.678	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CC[C@@H]2CC(C)C)c1	2321081089	BSVGCGPZAKDDPP-CZUORRHYSA-N	249.373	4.625	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@H]2CC3(CC3)CN2)CC1	2321251472	RQUFFQHIBOJNAG-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCC[C@@H]2C)cc1	20549668	UCMKWAQBHBFGNU-XJKSGUPXSA-N	231.383	4.801	0	10	BJAE	
CCN[C@@H](CC(C)C)c1ccc([C@@H](C)CC)cc1	35544285	PHNJFPPIEYFHTP-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@H](C)Nc1ccccc1C(F)(F)F	37196398	ZEYLEFBHVKFYDI-JTQLQIEISA-N	245.288	4.696	0	10	BJAE	
C[C@@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F	75839688	HMVKYWCPVNQQEV-YFKPBYRVSA-N	243.055	4.659	0	10	BJAE	
c1ccc2c(c1)ccc1oc(C3CCCC3)nc12	75841005	MMNHKFYBKJUREN-UHFFFAOYSA-N	237.302	4.639	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCCC)C1CCC1	86487962	URNWUWQPLNVHGF-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Cc1cc([C@H](C)N[C@@H]2CCC[C@H](C)CC2)c(C)o1	86889601	XBUPEJYHFUYOEI-CORIIIEPSA-N	249.398	4.516	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@@H]1CCCC(C)(C)CC1	86893897	NCEIZANGRWPOFL-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CC2CCCCC2)C1	87985935	BTZMXTRESLTFPL-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](Nc2cccnc2C)CC1	91496026	SYAKOOFEJMBZEN-HUUCEWRRSA-N	246.398	4.551	0	10	BJAE	
CCCN[C@H](CC1CCCC1)c1cccc(C)c1	103939524	FFNCXBHETYUGFJ-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCC[C@H](CC)N[C@@H](CCC)c1ccccc1	103987311	BBCVMAKYGGTCDM-HOTGVXAUSA-N	233.399	4.696	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C1CCC(C)CC1	109738026	HAHOLLGPCARJFF-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C(=O)c1c(CC)oc2ccccc12	110175529	BXPDNFFNEJMTSK-LLVKDONJSA-N	244.334	4.614	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CNCC)CC(C)C	110182926	MGSATJHUHWCSDQ-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C(C)(C)C)c1ccccc1	122597393	LKPICSAHXBZKOH-DZGCQCFKSA-N	233.399	4.552	0	10	BJAE	
CCCC(CCC)[C@H](CCC(C)(C)C)NC	126741127	VVMUFXPMVAQCBD-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](CCC)CCCC(CC)CC	128633393	MZNXUDIXFYAEHY-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CC(C)c1cnc(-c2ccccc2Cl)s1	132150296	MQWMFMHKPIRYJR-UHFFFAOYSA-N	237.755	4.587	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCC)C(CC)CC	132583614	IGTPFLHRJSNIGL-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C1CCCCCC1	149210239	MMTVKEXDPNNWQU-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CNC(C)(C)C)[C@H](C)C1CCCCCC1	150057072	FHWALONHWKNCOX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C1=CCCCC1	161960374	UOPZARGYQKEHJQ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@H](CCCC(C)C)C1	166335723	BJUMLAGMFLDZHT-OAGGEKHMSA-N	239.447	4.604	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1cccc2ccsc12	211152788	CBVJQJZBFJIVHA-ZDUSSCGKSA-N	247.407	4.598	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H]2CCCCC2(C)C)c1	226523879	NQYAARVYTYMLAY-HNNXBMFYSA-N	244.378	4.703	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@H]1CCCC1(C)C	226819910	LWESWRZIKXUWMJ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCCCC1(C)C	226913340	XUROFQUCTCBWOZ-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@@H](CC)c1ccccc1	228686141	URMPGSBRBDCLFX-DLBZAZTESA-N	247.426	4.595	0	10	BJAE	
CCC(CC)[C@H](N)[C@@H](c1ccccc1)[C@@H](C)CC	228691579	PQRPCJNVDKYSHO-XKQJLSEDSA-N	247.426	4.580	0	10	BJAE	
CCC[C@H](C)C[C@H](O)CC1CCCCCC1	229272886	JKOZUZDVZAGBCM-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](N[C@@H](C)[C@H](C)CC)c1ccccc1	251374724	QYJCBYWAGPAUQX-VYDXJSESSA-N	247.426	4.942	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H](C)CC(C)C	300838536	CVVILNZCYCOBJG-CABCVRRESA-N	227.436	4.604	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CCCC(C)(C)C	302258876	DNMQCORHUVDMJR-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1ccc2ccccc2c1	302320105	JOAGHAMEDGAAJS-CXAGYDPISA-N	242.362	4.555	0	10	BJAE	
CC(C)c1nc2c(s1)C(C)(C)CC(C)(C)C2	304383922	XCKAFBKMBAHXPW-UHFFFAOYSA-N	237.412	4.517	0	10	BJAE	
CN[C@@H](CCC[C@@H](C)CC(C)C)c1ccccc1	305901657	BFPOWGQZDNSBGU-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CCc1ccc2[nH]c(C)c(CC(C)(C)C)c2c1	307986402	NSJNMKBSILKRED-UHFFFAOYSA-N	229.367	4.627	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(CN)CCCCCC1	310198109	ZQPSTRSQYBFLIE-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCCCC(=O)C2)CC1	310294789	AFLJWKQCIWKPOX-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCC1(C[C@@H](O)C[C@H](C)CC(C)(C)C)CCC1	310542741	UAGJHYVZPULCGT-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)c1c(C)cccc1C	310574694	IBIHEYQJOYBAGD-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CCCC1([C@H](NCC)c2ccc(C)cc2C)CC1	310628054	KYIXFBBEHYSRGS-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
C[C@H]1CCc2[nH]c(C3CCCCCC3)nc2[C@@H]1C	310910378	HBOARHAXUVYWFO-NWDGAFQWSA-N	246.398	4.533	0	10	BJAE	
CCc1ccc(OC[C@H](C)C2CCCCC2)cc1	311242126	ZYWTWJQJFXVVKP-AWEZNQCLSA-N	246.394	4.844	0	10	BJAE	
CCC[C@@H](C)CC1(CNC)CCC(C)(C)CC1	317146427	HXOLUWXTEHZBIY-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNCC)CC[C@@H](CC)C1	317256631	LWOCRJXNHPCGJN-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC1(C[C@]2(CNC3CC3)CC[C@@H](C)C2)CCC1	317837912	QOAKOLARRMORNT-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCNCC1([C@H](C)[C@H](C)CC)CCCCCC1	319814191	PPIZMQDNRNTKIM-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](Nc1cccc(SC)c1)C1CCC1	322724957	UPZRXUOLKRWDIY-OAHLLOKOSA-N	249.423	4.789	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CN[C@@H]1CCCC12CCCC2	328096263	JXLRUQHQIHAEOP-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@@H](O)C[C@@H](C)C(C)(C)C)CC1	380158479	KKOQMMUDSCBAKB-JYVUQVBGSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)[C@@H](CCCCCC(C)C)NC	383211980	CIXMXYWCEZQPBU-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
C[C@H](CC(=O)CCC(C)(C)C)c1ccccc1	385222141	SRGQBLXWROPGOO-CYBMUJFWSA-N	232.367	4.576	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@H]1C[C@H]1CC	387813714	OJQFYWOBHYUXOB-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CC(C)[C@@H](C)CNc1cc(Cl)cc(Cl)c1	389909328	IOGZZXHUPFFYGF-VIFPVBQESA-N	246.181	4.697	0	10	BJAE	
Cc1cn(C[C@H](C)C2CCCCC2)c(C)c1C	393861271	IAXRQXJXVNBEIY-ZDUSSCGKSA-N	233.399	4.630	0	10	BJAE	
CC[C@@H](C)CCNc1ccc(Cl)cc1Cl	394397572	HYMVSZFBROCOOM-SECBINFHSA-N	246.181	4.842	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCC1CCCC1	395150328	NQAWZRBFLOWHRS-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CCCC[C@H]2C)CC1	395190610	WLKHTDZDAFKHDJ-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCc1csc2c(C)cc(C(F)F)cc12	396196893	HMFDREIQRTYZRA-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1sc2cccc(C(F)F)c2c1S	396241887	MASDVZZYQYJFSH-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1ccc(CC)c([C@@H](O)[C@@H](C)C(C)(C)C)c1	399192073	WKRFCNQXVQBYQG-WBMJQRKESA-N	248.410	4.527	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C1CC1)[C@@H](C)CC	405800841	JYAPQRYPNZXZPD-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C1CC1)C[C@H](C)CC	405826185	REZAWYIEPNEOBJ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(O)CC1CCCC1	689771281	YXMSXQGRTFYJTM-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)CN[C@H](C)CC1CCCCC1	689830958	JHUWZVPPNQMPGP-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H](C)C(C)C	690185671	AZRCWRMWCUTILO-ZDUSSCGKSA-N	233.399	4.576	0	10	BJAE	
CC(C)C[C@H](O)[C@H]1CCC[C@H](C(C)(C)C)CC1	695129689	WNQPEWBQNWFBBW-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@@H]2CCCC3(CC3)C2)C1	695918861	SKRXJPULLZKUHB-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CCCC3(CC3)C2)c(C)s1	695951471	AVCHWZUQDAWEIN-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCC(C)(C)CC[C@@H](CNC1CC1)CC(C)C	696679175	RKGQTSIQSAKYMN-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@H](CC)CC(C)C	697809164	KTZLXYXLEAWLCN-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCC(CC)[C@H](C)Nc1cc(C(C)(C)C)ccn1	699605263	JVXIJTXXQTVNBI-LBPRGKRZSA-N	248.414	4.616	0	10	BJAE	
Cc1ccc(NCCCCC(C)C)cc1C	703977218	SZGAHJCUWYJGDY-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CCCc1ccc([C@H](O)[C@H](C)CC(C)(C)C)cc1	704687229	VSSRJTWZONQORB-CZUORRHYSA-N	248.410	4.745	0	10	BJAE	
CCCc1ccccc1CCC=C(C)C	704704597	HTACJICPHYCHHR-UHFFFAOYSA-N	202.341	4.538	0	10	BJAE	
CN[C@H](c1ccc(C)c(C)c1)[C@@H](C)CC(C)(C)C	704728048	KBRGZFYUNQGHSN-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
CCC[C@](N)(C1CCC1)[C@H]1CCCC[C@H]1CC	705364097	POBNAKUNVUGIKE-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C1CCCC(CNC[C@H]2CCCC23CC3)CCC1	706289467	OQRXGTPOLWNNAA-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCC[C@](O)(C[C@H](C)C(C)(C)C)C1CCCC1	710744004	YFHDSUVUEBMVCB-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)C(C)(C)C)C1CCCC1	710752078	HJWREVNEXNDWLS-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC[C@H](C)C(C)(C)C)c1ccccc1	710758985	DAXMYQSWURAOTR-GOEBONIOSA-N	247.426	4.800	0	10	BJAE	
CCCC[C@@H](C[C@H](CC)C(C)(C)C)NCC	711060752	DEJXNFLLTMJTNY-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC(CC)(CC)CNCC(C)C	713252206	RFWYSSGBXMHMIA-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
CC1CCC(CNC(C)C)(CC(C)(C)C)CC1	713308980	BHALUVSPXDWQAC-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1ccc(O)cc1C	714522273	KQIDSRWKZSAOKZ-KTRBRXNASA-N	218.340	4.551	0	10	BJAE	
CC[C@@H](CC1CCCCC1)Nc1cnccc1C	720989054	IQPVZBMYDLJIQE-HNNXBMFYSA-N	246.398	4.551	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCCC2(CC2)C1	723561066	WHFAIMLNOJULEZ-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(C)c(SCCC(F)=C(F)F)c1	1472930564	HVGUILZNQQVPEL-UHFFFAOYSA-N	246.297	4.863	0	10	BJAE	
C[C@H](CN1CC[C@@H]1c1ccccc1)CC(C)(C)C	1473207393	QQYJVIFGYKGYOE-GOEBONIOSA-N	245.410	4.506	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CCC=CCCC1	1561043337	VPZLBLJXQUXKEP-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
c1cc(N[C@H]2CC[C@@H]2C2CC2)cc(C2CCC2)c1	1621360583	HVIKHJYNJWTITM-SJORKVTESA-N	241.378	4.555	0	10	BJAE	
CCC(CC)CC[C@@](O)(CC)C[C@H](C)CC	1900700304	CIZQZGDPUMFBBE-HIFRSBDPSA-N	228.420	4.780	0	10	BJAE	
CCC(CC)c1ccc(F)c2ccccc12	1901880768	DXCUGBOJEPWKDZ-UHFFFAOYSA-N	216.299	4.883	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCCC[C@H]1C	1905451942	WNLHGTVSIOHXNE-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@@]12CCCC[C@@H]1C2	1909919848	ADDVWGFAXUNPBJ-WBMJQRKESA-N	236.399	4.598	0	10	BJAE	
CC=C[C@@H](C)Cc1c(C)c(C)cc(C)c1C	1912105097	QUSMGBZCNMZZAG-LLVKDONJSA-N	216.368	4.675	0	10	BJAE	
CC(C)CNC[C@]1(CC2CCCCC2)C=CCC1	1916381288	XIMCGOWSSZJBJJ-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@](O)(CC)CCC=Cc1ccccc1	1919496427	XLAMBMALXPMVPE-QGZVFWFLSA-N	246.394	4.811	0	10	BJAE	
CCCC[C@](N)(CC)c1ccc(C(C)(C)C)cc1	1920141215	ZZLGOAWNVVKQCG-QGZVFWFLSA-N	247.426	4.738	0	10	BJAE	
CCCC1CC([C@@H](NCC)C(C)(CC)CC)C1	1921259494	NNKLJERSFHAHPI-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCC1CC([C@H](C[C@H](C)CCC)NCC)C1	1921271042	ICLAMIASJWCGQP-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)C[C@H](C)CC(C)(C)C)C1CCCC1	1924115073	FLPKPUFGLKYWSV-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2C=CCCCC2)C1	1925797638	JFYLPEGUJZLZHX-PMPSAXMXSA-N	248.410	4.908	0	10	BJAE	
Cc1ccc(C[C@H]2C=CCCCC2)c(F)c1F	1925825579	VKQWDQPRKKHHQL-LBPRGKRZSA-N	236.305	4.562	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@H]1C=CCCCC1	1925892067	QTHLEUMZEZYCMB-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1CCC[C@H](C)CC1	1939899150	NHPQPKGISNBKTQ-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC1(C)CCCCC1	1940407816	JPCQVABLXNTRRD-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CC[C@@H]2C[C@@H]2C1	1940594149	YNFVFTKWXLHAJA-QLFBSQMISA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)CC(C)(C)CC	1940788300	HDSFQXMWODSBGU-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)CC1(CC)CCC1	1940789930	HUMVZQFRIQQTNK-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](O)(CCCC2(C)CC2)C1	1940871133	ZXIDZGCCSXSPJQ-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C(C)(C)C1CC1	1941140469	UUSMPDOJACVAHW-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@]1(CNCC(C)C)CCCC1(C)C	1944474570	BHGSEFJQYFUZNS-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)C(C)(C)C1CCCC1	1944642487	WMEYMDLALXKGLZ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](NC(C)(C)C2CCCCC2)C1	1945383736	XWAFNDNCXDKXDT-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)c1csc2ccccc12	1945617621	RQIQNMRBHPQZBY-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CC[C@@H](CC(=O)C1C(C)(C)C1(C)C)C(C)(C)C	1946180160	NPHHCPRMYRLGIG-NSHDSACASA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@]1(O)CCCCCCC1(F)F	1947290878	YEAJAFKWVYHZBN-ZDUSSCGKSA-N	248.357	4.677	0	10	BJAE	
CCC(CC)N[C@H]1CCCCCCCC1(F)F	1947371419	JDQOBFYTWQCSGJ-ZDUSSCGKSA-N	247.373	4.513	0	10	BJAE	
CCC(F)(F)CCC(=O)C1CCC(C)(C)CC1	1947989805	CJOSESNTKSYUQR-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC1(C[C@H]2CCC(C)(C)[C@@H](N)C2)CCCCC1	1949658411	AZTVNTGZTQKBSK-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC23CCCC3)cc1Cl	1950669958	YJCIQGPMHWOWIQ-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2C=CCCC2)C1	1959891656	WPICFIDTXHICLE-KGLIPLIRSA-N	206.373	4.949	0	10	BJAE	
Cc1cc([C@H](O)CCCC(C)C)sc1Cl	1960263238	YHDBNAFOLOCQPM-SNVBAGLBSA-N	246.803	4.570	0	10	BJAE	
CCCc1ccccc1CN(CC)C[C@H](C)CC	1966318125	BPKZFNAJCRXDAC-OAHLLOKOSA-N	247.426	4.507	0	10	BJAE	
Cc1cccc(OCC2C[C@H](C)C[C@@H](C)C2)c1C	1968364245	ISQYCIZWKCKLPE-CHWSQXEVSA-N	246.394	4.755	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)c1	1968597381	ZDFUHWNCQDWJDE-VPWBDBDCSA-N	249.373	4.617	0	10	BJAE	
CCCC1CCC(CN(CCC)C(C)C)CC1	1968697857	CQKGMFYDWCQSET-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC1(C)CCC(CN[C@@H]2CCCCC23CC3)CC1	1972743030	IWAJUAUBFQYRBW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NC[C@@]12CCCC[C@@H]1C2)C1CCCCC1	1973225241	IHAIRSJKJVLNBQ-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@H](N)c1csc(C(F)F)c1	1978580414	XAGMOGKEBFUOPZ-JTQLQIEISA-N	247.354	4.512	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H]1CCCC[C@@H]1C	1990094876	XZSVQBNMNXCLLN-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(F)c2c(C3CCCC3)coc12	1995498896	VOEPTNNQXHXGMP-UHFFFAOYSA-N	218.271	4.538	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H](C)CC(C)C)CC1	1997116097	JDRKGGCILLAVJC-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@H]1CC=CCC1	1997546873	RBMMDJIZIOHBLK-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)NCC[C@@H](C)C[C@@H]1CCC=CCCC1	1999997134	VPKOGFGQVZCXGF-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)CC1(C)CCCCC1	2000908637	ALDWENQCYMIRNW-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@]1(C)CCCC1(F)F	2002580787	DARHYDCQMKPSII-ZDUSSCGKSA-N	244.325	4.518	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CCC2CCCC2)C1	2002973717	JCYRSQDIYDRXCT-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
O[C@@H]1CCCCCCC[C@H]1CCCC1CCC1	2003112637	WRXYMUZYRSBGMV-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1CCCC2(CC2)C1	2003277386	JOZJWAZZLABKQS-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CCCCC(C)(C)C)c1ccco1	2003689242	ZKVFHDMMCIRADZ-ZDUSSCGKSA-N	237.387	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H](C)C1CCCCC1	2004227748	AAZDCWXDUUIJJH-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)C1(C)CCCCCCC1	2004922810	KROJZVBTBLBOCE-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCCC(C)C)C1(C)CCC(C)CC1	2007697643	PVYHTCSXUWGQKC-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C1(C)CCC2(CC2)CC1	2007699847	ZMVUAZOZFIITDT-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@]1(N)C[C@H](C)CC[C@@H]1C(C)C	2009571820	JCCSKOYAJTVNNC-YEHCYSSBSA-N	237.431	4.523	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CCC[C@H](C)C1	2009596917	XGALJQHINXKTRC-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@]1(CNCC)CC[C@@H](CC)C1	2009616004	FAZKOBFPUGIOND-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCC(CCC)[C@@H](O)C1=CCC(C)(C)CC1	2010725591	JONSZFYAFSXRCK-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(N)C1(C)CCCC1	2014341397	YVYDGUJSAWYOIE-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H]1c1nc(-c2ccccc2)cs1	2014854049	NMLUTXZYRRGSAX-LBPRGKRZSA-N	243.375	4.714	0	10	BJAE	
CN[C@@H](CC(C(C)C)C(C)C)[C@H](C)C(C)(C)C	2015284104	KKGYXTSGSIOFGE-ZFWWWQNUSA-N	241.463	4.575	0	10	BJAE	
CCCC1(C[C@@H](O)CC2(C)CCCC2)CCC1	2015634983	UVOKVSWWDSLIOC-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H]2C2CCC2)c1Cl	2017041905	FBTQSHMIJCUSOP-CHWSQXEVSA-N	249.785	4.639	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H](C)[C@H](C)CC)CC1	2017662592	KNXWHDCCHQOSCT-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(CC)CNC)CC1	2017729214	UKEANFSHWDONLY-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C)CCC[C@H]1CC[C@H](CC)CC1	2017735662	VQCCPZQRSOWIIL-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)NCC1(CC(C)C)CC1	2018131334	NQLUQTCYVIWUJA-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)[C@H](C)c1ccccc1	2019109572	DLBYCQSNNHVDAR-ZIAGYGMSSA-N	233.399	4.504	0	10	BJAE	
CCC(C)(CC)CN(C)[C@H](C)c1ccccc1	2019115220	REVFCLXCFFOONI-CQSZACIVSA-N	233.399	4.506	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(C)CCC(C)(C)CC)C1	2019204834	ZYAPLNMWKSNKDD-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCCN1CCCCCC[C@@H]1C	2019343290	YIXIGQDHTBGUCH-INIZCTEOSA-N	239.447	4.857	0	10	BJAE	
CC(C)CCCCCN(C)CC1(C)CC(C)C1	2019344486	NPFXWGZXIWRJER-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@@H]1[C@H](C(C)(C)CC)CCCC1(C)C	2020350276	AHBSXGZDPMAGAU-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@]1(C)NCC1CCCCCCC1	2020581991	QONXNYDVHSVOPZ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C(=O)[C@]2(C)CC=CCC2)ccc1Cl	2022726785	FGCUJVDZMOFVCJ-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@](C)(N)CC2CCC2)C1	2024095198	PVTNCROWTVGXDK-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC=C(CC)c1cccc([C@H](C)NCCC)c1	2025225329	UTCIINGOQRAFSU-ZDUSSCGKSA-N	231.383	4.561	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CC[C@H](C(C)C)C1	2025621971	OXQZCIJIWYIJFD-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC1CC(CC)C1	2026169549	JEBNMTBZMVAMDV-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNC1(C2CCCC2)CC1	2027372919	HSSAPGNXPDLWJM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@H]1CC=CCC1	2027520066	JSQGLQICLHBAMB-AWEZNQCLSA-N	242.362	4.739	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)c1ccccc1C1CC1	2028554596	LNNQSBDCGAYNPH-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CN[C@H](c1ccccc1C1CC1)[C@@H](C)C(C)(C)C	2028615060	QKBFZEAMVLXDHD-WBMJQRKESA-N	245.410	4.507	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CC2CCC=CCC2)C1	2030232708	BSZFGNWGMPWCEH-FOLVSLTJSA-N	248.410	4.764	0	10	BJAE	
CC1CCC([C@@]2(N)CC(C)(C)CC3(CC3)C2)CC1	2030279451	JJWFWRGKYDTAIM-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)c1ccc(C2CC2)cc1	2032478751	NTWHTIADYUGFQA-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)C1CC2(CC2)C1	2036189690	MJBJKCVPFCTPLU-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@@H](C)n1ccnc1C1CCCCC1	2036775788	IWYRVHDKYMOAAC-CQSZACIVSA-N	248.414	4.928	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)C[C@@H]2CCC[C@H](C)C2)C1	2037044582	BNGDWSJAKLNZLC-LZDOMEQBSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@@H](N2CCC3(CCCCCC3)C2)C1	2037678568	LOQDACIANQJRCI-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC1CCC(c2nc3c([nH]2)[C@H](C)CC[C@H]3C)CC1	2038007244	MRPJLQFJTCZKIQ-QZQSVVMZSA-N	246.398	4.704	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@@H]1CCC2(CC2)C1	2038568136	OKLWIFBFTDBABI-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2CCC3(CC3)C2)CC1	2038579964	RMTPJIFUZBOQPJ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]([C@H]1CCCC[C@H]1C)C1(C)CC=CC1	2042016738	NLTCCSXSJGELHE-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@H](NC[C@]1(C)CC=CCC1)C1(C)CCCCC1	2042067234	HTBQMVXBTDYPIO-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(CNC[C@]2(C)CC=CCC2)CCCCCC1	2042072741	SFFKJMNAWHODJQ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1C[C@H]2CCC[C@H]21	2045308074	QQIHKXTWFFEBLV-KLHDSHLOSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)C[C@@H]1CC=CCC1	2046001309	ZNDBISDEZSZRBW-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
O=C(CCCC1CC1)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047426647	HISAUDGXCMTNGZ-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@@](C)(N)CC2CC3(CC3)C2)CC1	2049419823	FWVAKVAEWDJGSD-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(NC2CC3(CCCC3)C2)CCC1	2049671703	GJJQKFDVKWGJET-UHFFFAOYSA-N	249.442	4.802	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2CCCC3(CC3)C2)CC=CCC1	2049949285	XXOOEZBTITWQFG-ZBFHGGJFSA-N	246.394	4.662	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CC(=O)c1ccccc1C	2050449597	IWQKMRCPTCKGMN-LSDHHAIUSA-N	244.378	4.784	0	10	BJAE	
CCC1(C)CCC(N(C)C[C@@H]2C=CCCC2)CC1	2051643286	PHVFXXNFOQGAQG-KLAILNCOSA-N	249.442	4.633	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCCCC12CCC2)C1CCC1	2053360435	QJRPUKFDGJGLNB-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCC1CCCC1)CC1CC(C2CCC2)C1	2056652516	DBMOTVMJNGMEQW-PREGVCBESA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@H]1C=CCCC1	2056880744	BJZSWQFUZAMSKO-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(C=C2CCCC2)CC1	2056913831	MOENOSGYDAFJPJ-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@@H]2CCCC[C@H]2C)CC1	2061080768	JUNMULBJWBETJZ-SRABZTEZSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@@H](N)CC2=CCC(C)(C)CC2)c1	2061143521	KYUKSOPPDFTSLJ-INIZCTEOSA-N	243.394	4.521	0	10	BJAE	
O=C(CC[C@@]12CCC[C@H]1C2)CC1CCCCCC1	2061604841	CECWJKWMCQXKEK-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)CC[C@@]12CCC[C@@H]1C2	2061618176	TUMVCJQWDLHXCQ-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CCCCN(CC1CC(=C2CCC2)C1)[C@H](C)CC	2061678748	FYUCARLBXXXNRF-CQSZACIVSA-N	249.442	4.778	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C(C1CCC1)C1CCC1	2062625552	PZEBVGCSXNYXNT-WFASDCNBSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@@H]1C)C1(C)CC=CC1	2062642053	NISVSNDHAGEUJX-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CC1	2063520562	PFBSFGZYDSRVLM-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(OCC2C[C@@H]3CCC[C@H]3C2)c1C	2063532397	VCZIWTBWUKYBJK-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
C[C@H](N[C@H]1CCCCCC1(C)C)C1CC2(CC2)C1	2064509348	WKOQTPLXPGHRIT-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC23CCC(CC2)C3)C1	2065276245	BLTYWXAWESCXKW-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CC=CCC2)CCC1(C)C	2068231349	XKNQZPOPRLQCQG-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCCC23CCC3)CCC1	2069344167	IBBYZKCVISBBBV-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1(CC2(N)CC(C3CCCC3)C2)CCC1	2071940317	JICVSQBKONYDKQ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccc(C(=O)CC[C@H]2C[C@H]2C)cc1	2072083187	PDZVFTCKVVLZIB-CJNGLKHVSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@H](CC(C)=C(C)C)c1cccc(C)c1	2072418916	VUSGIWVKMDGYIT-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CC[C@@H]1CCCCN([C@H]2CCC23CCCCC3)C1	2075018456	ZJPLBIQWZWPHAV-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC(C)CC[C@@H](C)N1C[C@H](C)Cc2ccccc21	2075232559	BUNPRASTBIVLJN-HUUCEWRRSA-N	245.410	4.510	0	10	BJAE	
CN([C@@H]1C=CCCCC1)[C@H]1CCC2(CCCC2)C1	2075400727	GEEVYXBFTWAYID-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
CN[C@@H]1[C@@H](C[C@H]2C=CCCCC2)CCCC1(C)C	2076402048	QQCJQQWTVDDDPA-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CN(C[C@H]1CCC=CCCC1)[C@H]1CCCC1(C)C	2077364210	VXENVWJNTPWHMW-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
Cc1c(F)cccc1C(=O)[C@H]1CCCCC1(C)C	2077850401	UOYMBVJLSIHXGX-CYBMUJFWSA-N	248.341	4.533	0	10	BJAE	
CCCCc1ccc([C@](O)(CC)C(C)(C)C)cc1	2077922069	DDVWTJRYDSLYPY-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
N[C@H](C1CCCCC1)[C@H]1C[C@@H]1C1CCCCCC1	2079427406	ILCHHNBOBRXIBN-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@H]1CCC)c1ccco1	2079667194	VWGJUPGMHGMJKN-QLFBSQMISA-N	249.398	4.537	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@H]1C[C@@H]1C1CCCC1	2079861881	HHZJIPDVGOGHCG-DOTOQJQBSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC(C=C[C@@H]2CCCCN2)CC(C)(C)C1	2082977047	WABBZOWBLNWGCH-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)C=CCC(C)(C)C2)C1	2082977749	BEQFVTYQVDKQBR-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CC1CC(CC)C1	2085000570	IGZSVJYKWIREJW-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2c1ccccc1C1CC1	2088954228	XBPZMEHPURGMLB-INIZCTEOSA-N	249.357	4.512	0	10	BJAE	
c1ccc2cc(CCC3CC(=C4CC4)C3)ncc2c1	2125733466	NFUDWGZTMXYWSC-UHFFFAOYSA-N	249.357	4.668	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CCCCC1CC1	2211123468	ZXHGXIYQUODGHQ-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](CCCCCCCC1CC1)[C@@H](C)N	2212462456	NARLINPWFFCFJM-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@@H](C)CCCCCC(C)C	2212583219	DGYZAMJEWZWGNP-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](C1=CCCCC1)c1scc(C)c1C	2213658358	NRBDNYNLDUTVEU-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CC[C@@H](C[C@@H](O)CCCCC1CC1)C(C)(C)C	2214565398	MPWNAHBPBLANLW-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@@H]2C)CC1	2215105440	NVTIZILFBCLLPN-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@@]1(C)CC=C(C)CC1	2215811955	GNXPHEMZIZDCKQ-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1CCC[C@H]2CCCC[C@H]21	2218017967	OQHXEUWQJKZLGE-KLHDSHLOSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218331002	INMVGERDTJYXQF-ORIJERBGSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CC[C@H]2CC[C@H]1C2	2218715897	ZVUHEMDJEQWDSW-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NC1CCC(C2CC2)CC1	2218891377	DAIZEDMWYHVZJL-ODZFXCKXSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CC=Cc1ccccc1	2219045669	FYXVTOPTOAGSPN-QGZVFWFLSA-N	244.378	4.587	0	10	BJAE	
CCC[C@](O)(C/C=C/c1ccccc1)C(C)(C)C	2219062414	MGHWAQSKEBFFCD-KQPPXVQYSA-N	246.394	4.667	0	10	BJAE	
Fc1ccc(CC/C=C/c2ccccc2)c(F)c1	2219076888	VUHHBSMUCNTBGE-XBXARRHUSA-N	244.284	4.611	0	10	BJAE	
CCC[C@](C)(C/C=C/c1ccccc1)CNCC	2219095991	QXDYXSUZRSERMB-XLNAKTSKSA-N	245.410	4.506	0	10	BJAE	
N[C@@H](CCCCC1CC1)[C@H]1C[C@H]1C1CCCCC1	2220043663	BAKBIPOEBCVKAQ-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C12CCC(CC1)C2	2220048794	XMBXZMONWOXQJA-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CNC2(C)CC3(CCC3)C2)CC1	2220975474	MPSDKSUBVMFRDQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C1(C(C)(C)C)CCC1	2222000906	LKGJMLVUJIKZHP-HNNXBMFYSA-N	246.394	4.553	0	10	BJAE	
CCCCC[C@H](O)c1ccc(CCCC)s1	2242605470	YHHDAURRAYQDKN-ZDUSSCGKSA-N	240.412	4.704	0	10	BJAE	
CCC[C@H](CC)CNc1cc(Cl)ccc1C	2244800248	FZDYVNTYLUBWAO-LBPRGKRZSA-N	239.790	4.887	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCCCCC1CC1	2244800270	GEKQIKWPVLCVHB-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CCCC[C@H]1C[C@@H]1C)CCC(C)C	2247172827	BMFVOPWFDDVSPJ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCCCCCC1CC1	2250352912	PSIWMPWCXVMZTO-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2250357563	XAHIVSYWEHVTPV-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1C[C@@H](C)C[C@@H]1C	2250469611	QJLMRWOUWCWLPV-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(N)C(C)(F)F	2250469877	UFPPCZZSBJAOOO-OLZOCXBDSA-N	249.389	4.602	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@H](C)C(F)(F)F)cc1	2253062158	WYYIYULCESOSDN-VHSXEESVSA-N	246.272	4.530	0	10	BJAE	
CC[C@H](C)NCCCCCCCCCCCF	2253269768	DUSBXEKWNUXOBD-HNNXBMFYSA-N	245.426	4.855	0	10	BJAE	
C[C@H]1CCC[C@@H](C)N1CC[C@@H]1CCCCC12CC2	2253856612	QNQASSAHSAUHHU-XHSDSOJGSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC23CCC3)CC1	2255027762	URLWLJZIQXDFKS-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H]1C[C@H](CC2=CCCCC2)CCC1(C)C	2255135294	ADMJZSHHYNVAQK-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CNCCC1=CCCCCCC1CC1	2255889095	AIAHEMFRYKWXHY-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCc1cccc(F)c1NC1CC2(CCCC2)C1	2256143163	ABBDKDGXRRWOPZ-UHFFFAOYSA-N	247.357	4.523	0	10	BJAE	
CCN(CCCCC[C@@H]1C[C@@H]1C)c1ccccc1	2257285893	ZFSPGJHBNNCTOT-JKSUJKDBSA-N	245.410	4.729	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN1CCCC12CCCC2	2257300691	FOXZTFHBCXIDHH-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
C[C@H](CC1CCC1)Nc1cc(C2CC2)ccc1F	2259126179	LBRMNFTYUBKDRO-LLVKDONJSA-N	247.357	4.694	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)c1cc2ccccc2o1	2259440594	HGPDOKZLIOHGIV-LRDDRELGSA-N	245.366	4.520	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@]12CCC[C@H]1CC2	2260488183	HPOIXXFSJMNBQK-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)[C@@]23CCCC[C@H]2CC3)C1	2260504763	FOPXHNQJTJVARH-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@]23CCC[C@@H]2CC3)C1	2260509077	SYPJUYGOOVNKEG-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@]12CCC[C@H]1CC2)C1CCCCC1	2260610287	VCRWXRLONFOMKV-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)cc1NC[C@]12CCCC[C@@H]1CC2	2260624230	OOGHJTNDLFEMEL-CZUORRHYSA-N	247.357	4.516	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@@]12CCC[C@H]1CC2	2260673513	SEGVBSFVMIMILD-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CCC(=O)C[C@@]23CCCC[C@H]2CC3)C1	2261503178	HIEIXQZVVMLHSN-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@H]1C[C@@H]1C(C)(C)C	2300473737	BLEWNVCUHSATSQ-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCC2(CCC2)C1	2300674346	SQNAJULBBCXRSM-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)CC1CCCCCC1	2301139026	CKFXTJJFPILCLA-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](C)[C@@H](C)C(C)C	2301701563	QHVZUGCLXSTFIE-JYJNAYRXSA-N	241.463	4.815	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C[C@H]1CCC(C)(C)C1	2302751557	UYRLLUKIDMOBSC-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](C[C@](C)(N)C2(C)CCCC2)C1	2302897377	ZLUNQHXHLRZAOK-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CCC(C)=C(C)C1	2303459599	SWDBTLSMXFPZKW-APHBMKBZSA-N	237.431	4.680	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303474993	IZCLGEIPVWUMCF-QWHCGFSZSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@@H]1CCC(C)=C(C)C1	2303530868	FDESUSVEJBJNTG-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC[C@H]1CCC(C)(C)C1	2304420980	SDQSGFMIGUAMPO-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](CC)CC1(CNC)CCC=CCC1	2307836146	WMOFXZPDNMVABX-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1CCC(CC)CC1	2307892838	KCPKTKLMXXZHRK-BHDPWAOGSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@H]1C=CCCC1	2307909709	LERRDAUZEIMXDN-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccc(C(F)F)o1	2307927375	YSDIUMURGGETJO-SECBINFHSA-N	244.281	4.616	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309185432	XJBDSBHNNQSSIF-LUKYLMHMSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1cc(C)ccc1F	2316501893	INELVCYJPXLURF-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC=CC[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1	2316511775	WMGPBWZVMCCFIY-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1=CCCCC1)C[C@@H]1C[C@H]1C1CC1	2318502500	IZGIKJGHHPOHIH-WBVHZDCISA-N	246.394	4.662	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2318801653	WCSNUUNMGXXFCL-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
C(CCC[C@@H]1C[C@@H]2CCC[C@@H]2CN1)CCC1CC1	2319120591	FJSZCVXHXUKYHL-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](N)CC[C@H]2CCC(C)(C)C2)cc1	2319316380	BJECAWSRFULJMX-HOCLYGCPSA-N	245.410	4.601	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC[C@@H]2C[C@H]21)C1CCCC1	2319353353	DSQPEOQDDKQWHQ-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CC[C@@H]1CC[C@@H]1C1CC1)CC1CCCCC1	2319694390	XPKFJTPALQHKMP-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCCCN(C[C@@H]1CCC(C)=C(C)C1)C1CCC1	2320336785	INEIFCDBOVCSAV-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)CCC[C@H]2CCCC[C@H]21	2320377736	FFZHPKDAOSDFKF-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CNc2cc(F)ccc2C)CC1	2320414291	XIAXWZUXZNXZJF-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)C[C@H]3CCC[C@H]2C3)C1	2321603832	WERMJNJNPQLBHU-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(=CC[C@@H]1CCC(C)(C)C1)[C@H]1CC[C@@H](N)CC1	2321640760	XRWGKHSREXNZDK-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@](O)(c2cc(C)ccc2C(C)C)C1	2327700546	BXVSBNGBRUWBKW-RHSMWYFYSA-N	246.394	4.516	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CC)c1ccc(C)cc1	2328209840	MAJCQNWXYLPQFV-DOTOQJQBSA-N	248.410	4.809	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)c1ccc(C)s1	35573174	HQEDUTAORCRFKG-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](C)Nc1ccc2sccc2c1	37282525	KIZGJTIBXUCAOD-NSHDSACASA-N	233.380	4.892	0	10	BJAE	
CCC(=O)[C@H](CC)Cc1ccc(C(C)(C)C)cc1	41298244	ZHODVOIFYOXPPU-CQSZACIVSA-N	246.394	4.532	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)c1ccc(Cl)s1	50401440	LGSUDUODJRMDGJ-VHSXEESVSA-N	245.819	4.631	0	10	BJAE	
CCCCC[C@@]1(N)CCCC[C@@H]1C(C)(C)C	71084949	KPMUEFKHYUTPHS-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1cccc2ccccc12	79904329	ZTIXTCLMBTWUCW-SUMWQHHRSA-N	241.378	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCCC(C)(C)C1	83783392	CKKOMTCLYHUERP-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC(=O)c1cccc(S[C@@H]2CCC[C@H](C)C2)c1	84122223	XXUKNYNSHGJUGO-SMDDNHRTSA-N	248.391	4.560	0	10	BJAE	
N#Cc1cccc(-c2ccc(C3CCCC3)cc2)c1	84934354	AOHRAUPSTNUJKG-UHFFFAOYSA-N	247.341	4.883	0	10	BJAE	
CSc1cccc(N[C@H]2CC[C@@H](C)[C@@H](C)C2)c1	84981228	XILNQYPBDNWIKB-DYEKYZERSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CNC)c1ccccc1	88097224	XHRGKQAPWYFWOE-NVXWUHKLSA-N	247.426	4.596	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC1(C)C)c1ccc(C)cc1	94305760	JIKZDYPLRLZQBY-JKSUJKDBSA-N	245.410	4.614	0	10	BJAE	
C/C=C\[C@@H](C)Cc1ccc(CC(C)C)s1	107546585	USSYQFITWYYXNC-FOQNGQEVSA-N	222.397	4.701	0	10	BJAE	
CC(C)c1ccc([C@H](N)C2CCCCCC2)cc1	110218265	RBXZEPMFMWSZLG-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CCCNC/C(=C/C1CCCC1)C1CCCCC1	125562545	MRKHTSCPBLQOSJ-LGMDPLHJSA-N	249.442	4.683	0	10	BJAE	
CCCc1cccc([C@@H](C[C@@H](C)CC)NCC)c1	131576111	ZEBPKOJRRJRHEP-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CC[C@@H](C)c1csc(C2CCC(C)CC2)n1	132221852	RHKNKEVYWFPZCN-MOENNCHZSA-N	237.412	4.950	0	10	BJAE	
CC(C)CCC[C@H](N)CCC1CCCCC1	133468030	YISYNFJRQLCSDF-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@@H](O)c1c(C)oc2ccccc12	135412779	NDSAJAVRGICIMC-CQSZACIVSA-N	246.350	4.745	0	10	BJAE	
Cc1cc(C=O)cc(-c2ccccc2C(C)C)c1	141613892	KOMMIMGRRUMPMX-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H](C)CC)cc1	142481537	OMQJMULWEKFPCC-OLZOCXBDSA-N	220.356	4.625	0	10	BJAE	
CCC(CC)C[C@]1(N)CC[C@@H](C)c2ccccc21	148009749	OCAFNAXHQXQWIT-CXAGYDPISA-N	245.410	4.564	0	10	BJAE	
CCCN[C@H]1CCCC[C@H](CC(CC)CC)C1	149440552	ARFXHORDTHQDNZ-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CC1CCCCCC1)c1ccc(C)cc1	161921787	WTCDCPKNUZLAID-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCC1([C@@H](N)c2cc(C)c(C)cc2C)CCCC1	168685485	MXRKVCOCJXKNQF-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@H](C)C(C)(C)C)C1	169152725	ZZUULIJJYXRGMW-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](NCC)[C@@H](C)c1ccc(C(C)C)cc1	212841564	ODGHGCKKILQUPO-YOEHRIQHSA-N	247.426	4.692	0	10	BJAE	
Cc1c(C(F)(F)F)[nH]c2ccc(C(C)C)cc12	214521251	CWQPHBUYZHJJAE-UHFFFAOYSA-N	241.256	4.619	0	10	BJAE	
FC(F)(F)c1cc(Cl)c2ccccc2c1	223847822	BRZUKTNIJWJMHU-UHFFFAOYSA-N	230.616	4.512	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](O)c2ccc(C)c(C)c2)C1	226984085	IDMDVOYUMUOARC-YQQAZPJKSA-N	246.394	4.553	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1cccc2ccsc12	228960487	LKZBQHNZRRDHSW-RISCZKNCSA-N	247.407	4.598	0	10	BJAE	
CCCC[C@@H](CC)CC1([C@@H](C)NCCC)CC1	233002464	OQCWINPKMGHEMI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@@H]2[C@H](CC[C@H]3CCCC[C@H]32)C1	256507382	LZIXWAYLHWNUDT-KJWHEZOQSA-N	206.373	4.639	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1C	302271849	HKMUDSVJRLBJJI-HEHGZKQESA-N	245.410	4.794	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)CC(C)(C)C	305899242	ZQULWVDLWUBZQW-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(O[C@@H]2/C=C/CCCCC2)c(C)c1	305989151	LWXKGLMSQXIYRZ-PMGBHYCQSA-N	230.351	4.571	0	10	BJAE	
CCc1cc2cc(Cl)sc2cc1Cl	306826137	ZKHXCRFMRRUHQY-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
Cc1cc(C(=O)C(C)(C)C(C)(C)C)c(C)s1	309485874	GJNAXIKMYAZJNN-UHFFFAOYSA-N	238.396	4.620	0	10	BJAE	
CCN[C@@H](CC1CCC(C)CC1)C(C)(C)CC	310500369	JDOXIZXJEOQOTD-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(N)(CC2(CC)CCC2)CC1	310504473	KDDGXFWNBKEIKK-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)CCCc1ccccc1	310579383	MWZJUELLHOAWQT-OAHLLOKOSA-N	246.394	4.651	0	10	BJAE	
C[C@H](C[C@H](O)[C@H](C)C(C)(C)C)C1CCCCC1	310582257	RNHQOYDASWWQGZ-IPYPFGDCSA-N	240.431	4.636	0	10	BJAE	
CC1CCC(CC(=O)C(C)(C)C2CCC2)CC1	322949464	NYJPFVYRHSZBTG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](CC)c1ccsc1	382168130	VSWJHMMDJLRRGQ-FZMZJTMJSA-N	239.428	4.614	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)[C@@H](C)CC	383790999	LUHGXXPUFLPSRR-XJKSGUPXSA-N	233.399	4.507	0	10	BJAE	
CCc1cccc(NCCC2=CCCCC2)c1	384916675	DICFEMAICBFSED-UHFFFAOYSA-N	229.367	4.551	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCC2=CCCCC2)[C@H]1C	384999527	VGMRLSAMMPDQRY-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2cccc(C(F)F)c2)C1	386199220	RGMYGCVITILBJC-PWSUYJOCSA-N	239.309	4.615	0	10	BJAE	
Cc1c(F)cccc1NC[C@H](C)C1CCCCC1	386760392	GVHOVVSCSHRNCD-LBPRGKRZSA-N	249.373	4.762	0	10	BJAE	
CCCC1(CNC[C@@H]2CC(C)=C[C@H](C)C2)CCC1	391785519	SBURTTRTNAEUDL-HOCLYGCPSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)CCNc1cccc(Cl)c1Cl	394393609	AGWBIYWWQMIJPY-SECBINFHSA-N	246.181	4.842	0	10	BJAE	
CCCCc1ccc(NCC[C@H](C)CC)cc1	394465540	WEHJLNYPGSCZQV-CQSZACIVSA-N	233.399	4.877	0	10	BJAE	
CC/C(=C\C1(C)CCCCC1)CNCC(C)C	394772517	GYYWRLCCTNZKTK-RVDMUPIBSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCC(F)(F)C1	394808175	IMHREGXQVUTTLT-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H](Nc1ccc(C)c(C)c1)C1CCCC1	395758706	BPWCGOIKJVBWNP-MRXNPFEDSA-N	231.383	4.684	0	10	BJAE	
Cc1cc2ccsc2c(S)c1C(F)(F)F	396295567	GHYZFILGRMWSKN-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H](C)C2CCC2)C1	398727480	UOYHNANQMKOMJK-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)C)[C@@H](C)C(C)(C)C	399134737	VTAKXYFMQOASCQ-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)CC1(C)CC1	401390937	JVSNIAMJWUXIHN-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCNCC/C=C(\C)CCC(C)(C)C1CC1	405953230	HZRZEJJHNLVTJD-VGOFMYFVSA-N	237.431	4.539	0	10	BJAE	
CCCC1(CNc2cc(C)ccc2F)CCC1	687526171	ULDNUOZBXZOUJR-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CN[C@H](CCC(C)(C)C)c1cccc(C(C)C)c1	688940609	VHJRXOODEQIZRD-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)CC1CCCC1	696563099	VRKSEBJGNQIEPV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCC[C@]1(C)O	699672848	VYLAWXUQEZQIJH-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cc(C)cc(Cl)c1	701099639	IKZRMZTZKROMSB-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCCN[C@@H](C(C)(CC)CC)C1(C)CCCC1	701159206	PCWVTMSSUZTNBV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@@H](CCC1CCCCC1)NC	701253472	SBOZWSRGSOZNJX-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc([C@](C)(N)CCC(C)(C)C)cc1	704861753	MXINBAWWLFDNQY-QGZVFWFLSA-N	247.426	4.810	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(N)CCC(C)(C)CC1	709148709	UTQIGZZSNYXOML-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CCC[C@@H](C)CC(C)(C)C)C1CC1	709193495	WJVOTPIBAZFPJQ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@H](N)C1CCCCCC1)C(C)(C)C	711113211	NDZUXIRTVIBTNZ-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C[C@@H](CC)C(C)(C)C	711181635	VTPIKYRDYPQOJI-BFHYXJOUSA-N	228.420	4.636	0	10	BJAE	
CCC[C@@](O)(CC(C)(C)C(C)C)c1ccccc1	713182470	JSEKBDNDLZRUGI-QGZVFWFLSA-N	248.410	4.747	0	10	BJAE	
CCC(C)(C)Cn1ccc2cc(Cl)ccc21	713236809	SDKKHXRJHXGCMF-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
C=C/C=C\CC[C@H](CCC1CCCC1)NCCC	713766308	YRHGZDRYEGUMAJ-KEGWNNHHSA-N	249.442	4.847	0	10	BJAE	
CC(C)=C(C)CCNCC1CCC(C)(C)CC1	718521408	VNWVULWKWMXIGF-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CNCC1(CCC(C)=C(C)C)CCCCCC1	718736217	BGJWEGHSXGXLML-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)c1cccc(C(C)C)c1	721708697	DCLOZZIANNLDCN-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1CC1(C)C)NCC	723179515	RTYGLIAIPLZSGX-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1CC(C)(C)C1)C(C)(CC)CC	723553691	VIQJCUUMHXZQOI-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)c(CC2CCCCC2)c1	822256365	MQDUNSCCBRYAFH-UHFFFAOYSA-N	222.759	4.771	0	10	BJAE	
Nc1ccc(-c2cccc(C3CCCC3)c2)cc1	1244988816	NXPFKUQHYCHBTC-UHFFFAOYSA-N	237.346	4.593	0	10	BJAE	
CCC(CC)(CC)S[C@@H]1CC[C@@H](C)C1	1613708044	GCPLCLQEHIZZOM-VXGBXAGGSA-N	214.418	4.877	0	10	BJAE	
CC1(C)CC(N[C@@H]2CCC3(CC3)C2)CC(C)(C)C1	1876377138	JCIMDYWOWJXPGI-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CC1)n1ccc2c(Cl)cccc21	1899434268	WPTYIQRLVVQUFR-JTQLQIEISA-N	233.742	4.656	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCC[C@@H](CC)C1	1900711843	HAVYXAILJIVBCS-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
Cc1cc(-c2cc(F)cc(C(F)F)c2)cs1	1901900836	FZIFBUGQFOERGR-UHFFFAOYSA-N	242.265	4.800	0	10	BJAE	
CCC[C@@H](CC)COc1cccc(Cl)c1C	1905304821	SSASSJMSJCYGLA-GFCCVEGCSA-N	240.774	4.854	0	10	BJAE	
CCCCC[C@@H](N)[C@@H]1C[C@H]1C1CCCCCC1	1910673517	RBIXWZLHDUTWEU-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
c1cc(NC[C@@H]2C[C@H]2C2CCCCCC2)cs1	1910726754	CNCFIGCQTVWJQC-ZFWWWQNUSA-N	249.423	4.767	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1ccc(C(C)C)cc1	1910735634	OKZZHBYYVUKVPY-CABCVRRESA-N	231.383	4.658	0	10	BJAE	
CC(C)NC[C@@H](C)CCCC=Cc1ccccc1	1911844788	RFLRSFVQWKHAJS-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
C[C@H]1CC(C2(N)CC3(CCCCC3)C2)C[C@H](C)C1	1912725954	FSZMYYNLJFSURT-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](C)CC1=O	1916059429	RWHQMPHQIJQJGK-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CCC(NC2C[C@H]3CCC[C@H](C2)C3)CC1	1923480726	PTEMDGSHCKEKHL-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C=CCCCC1)C1CCCC1	1925734726	AXLFQOJUNYZHSO-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
O=C(CCC[C@@H]1C=CCCCC1)c1ccccc1	1925738620	WJFVGJYETQXFAY-OAHLLOKOSA-N	242.362	4.786	0	10	BJAE	
CCC(CC)CCNc1cccc(Cl)c1F	1926158759	ZVBOWDNSQWCQPH-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
C[C@@H]1CC(CCC2=CCCC2)C[C@@H](C)C1	1929820257	WHTDQUKKZAAQHB-STQMWFEESA-N	206.373	4.949	0	10	BJAE	
CCCCCC[C@H](N)c1cc(Cl)sc1C	1933602749	OIGMMAPGWAXKIA-NSHDSACASA-N	245.819	4.680	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](O)C1CCCCCC1	1940871842	HLMXXIAEMFOZNX-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](N)CC1(C)CCCC1	1941266380	DYGRLQITKBOPPH-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCC1(O)CC(C2CCCCC2)C1	1945952290	IFDBNDGKINGWGU-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC=C[C@@H](C)N[C@H](C)c1cc2ccccc2s1	1947056379	CQBVKKUFJRFTFL-VXGBXAGGSA-N	245.391	4.517	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc(C)cc1F	1947454443	BCKODDWKPIIRGN-JSGCOSHPSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@@H](CCCC[C@H]1CC1(C)C)NCC	1948428960	JDNGCDHLAXHNCJ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCCC[C@H]1C)NCCC	1948434095	WTOMWPSYRWYQIP-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC1(CC(N)(CC(C)C)CC(C)C)CCC1	1948980943	GRZSOQNQUNVJLU-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CCCC12CCCCC2	1949023391	XOJJUYQTSDDBGZ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CCC[C@H]1CC1(C)C	1949053178	XNBQRXLCDNRKPD-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC1CCC=CCC1	1949080982	BXVVALJLJSQEFW-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1CCC2(CCCC2)C1	1949531312	OZZNAHXEJKOXBH-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@@H]1CC12CCCC2	1950667395	DYCPSCAEFVZCCB-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CCC[C@H]2C)CC1	1950931432	WYHPXALISQLVEA-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1C(C)=CCC[C@@H]1C	1951006341	NFFJFKDZFOBZOX-SOUVJXGZSA-N	238.415	4.556	0	10	BJAE	
CC(C)CC[C@H](C)NCc1ccccc1C(C)C	1962923862	ZGLOQUFAAWOKKJ-HNNXBMFYSA-N	247.426	4.724	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CC[C@@H](C(C)C)C1	1963153417	HNYSGFUMVDCUKB-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)c(NC2C[C@H]3CCCC[C@@H]3C2)c1	1968341016	HAHLOXVUSYUNIT-CHWSQXEVSA-N	247.357	4.515	0	10	BJAE	
CCC[C@H]1CCCCN1CC1CCC2(CC1)CC2	1970604875	HAKQZARLTLWKBG-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC2(CCCCC2)C1)C1CC1	1971145943	XVZDLOVRCNPDFU-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)C[C@@](C)(N)C1(C)CCCCC1	1975576693	YFHDCGGHMGZOSC-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)CC(=O)C1(C)CCCCCCC1	1981426989	IPPUJLBIAWDNCN-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
C/C=C/CCCC(=O)C[C@H](C)CC(C)(C)C	1984588579	DPKXFDYFKKHBRF-YBJDMEARSA-N	224.388	4.764	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2CCC[C@@H]2C)n1	1995465762	NXCACPGXOQMLQO-GMXVVIOVSA-N	237.412	4.635	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](N)C2CCCCCCC2)C1	1996236552	HAFQUSNRYVTAEX-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H](N)CCC2CCCCC2)C1	1996248668	XNOCNJIBRUYDRS-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC(C)Sc1ccccc1N[C@@H]1CCC1(C)C	1996563185	BVRQDYWSQRQTOH-CQSZACIVSA-N	249.423	4.788	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)C1CC2(CCC2)C1	1998649836	LAOACDQCPFPCIY-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1ccccc1SC1CC1	1998742399	MZZJGGIWBFHLMS-YPMHNXCESA-N	247.407	4.542	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(N)CCCCC2(C)C)C1	2000062702	OAZJQVJJEAAEBJ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)[C@H]1CCCC(C)(C)C1	2000108153	XAILGMLKVGYJJG-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)(CNC)C[C@@H]1CCC=CCCC1	2000505193	OSGLYLSWLUEEBY-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C[C@@H]1CCC12CCC2	2001845979	YVQKNRUJWGPFLX-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@@H](C)[C@H](N)CC(C)C)CC1	2002921989	TZIMPZFRHVAXBO-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)[C@@H]1CCC[C@@H](C)C1	2003021449	QLRAYJLIKDMNCW-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@H]1CC[C@H](C)CC1	2003067466	TVTSODOCYBOPHL-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H]1CCCCCC[C@H]1O	2003097991	ISJCLIGFWQAZBK-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@@H](N(C)C2CCCCCCCC2)C1	2003166742	JECKDPGQEKKBHR-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC1CCC2(CC1)CC2	2003197205	JYTKGNQXNFRQMF-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1CCCC2(CC2)C1	2003221122	MSKFFGWWZRFJSQ-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H]([C@H]2CCCC(C)(C)C2)C1	2006663345	INZDMQWNHFLWHO-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](CC2CCC=CCC2)C1	2006667019	OKYAAWZRMXFNQV-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCN(CCC(C)C)[C@H]1CCC[C@@H]1C	2006741637	HLRAKZQGRAUNQS-HOTGVXAUSA-N	239.447	4.569	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCCC(C)=C1C	2006913024	GPDNCKXPLZEAPD-GDBMZVCRSA-N	237.431	4.824	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CCC2(C)CC2)CC1	2009548073	MUHVWVOJTFFQCG-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@]1(O)CCCC[C@@H]1C(C)(C)C	2009592872	LZAFXJYBEKGZAM-CKAOXQASSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCCNC[C@H]1CCCC(C)(C)CC1	2009594415	GAMZKDQELYXJFT-RGDDUWESSA-N	237.431	4.539	0	10	BJAE	
CCCCC1CC(O)(C[C@@H](C)CC(C)(C)C)C1	2009712209	JJLQJKMGHNUADI-HLIUYOAVSA-N	240.431	4.780	0	10	BJAE	
CCCCC1CC(N[C@H](C)CC2CCCC2)C1	2009718187	UPTGYHXYBRBJNV-IUDNXUCKSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)[C@H](N)C1=CC[C@H](C(C)C)CC1	2010713329	DDRYWLXAJKQXPP-DZGCQCFKSA-N	237.431	4.523	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@](C)(O)C1(C)CCCC1	2014324291	NYHIFOOIFYCGQW-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
C[C@H](N[C@H]1CCCCC[C@H]1C)C1(C)CCCC1	2014337674	DZYOXZPQXVQSIV-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CCC(C(C)C)C(C)C	2015345153	OGIMJVKXLJLCHP-HOCLYGCPSA-N	241.463	4.848	0	10	BJAE	
CCC(C)(C)CN(C)CCC(C(C)C)C(C)C	2015391867	HHAHHNLPMKYZEZ-UHFFFAOYSA-N	241.463	4.673	0	10	BJAE	
CCCCC[C@H](NCCC)C(C)(C)CC(F)F	2016027776	LUMFSTBSBVTUIQ-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(=O)C1(C)CCC(C)(C)CC1	2016415709	BVEJEVBUELXOSL-LRDDRELGSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@]2(C)C[C@@H]2C)CC1	2016456437	WWAUIESJUSGVIR-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
Cc1ccccc1OCC1(C(C)(C)C)CCC1	2017123760	CPKCZPJMQKBLOV-UHFFFAOYSA-N	232.367	4.590	0	10	BJAE	
CCC[C@@](N)(CC1(C(C)C)CCC1)C(C)(C)C	2017140866	AEIJOTGVKUHWFV-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CCC[C@H]2C)CC1	2017729293	VDUTZNBGDZAGGE-LMPOIIKSSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C)[C@@H](CC)C[C@H]1CC[C@H](CC)CC1	2017731232	PCIVFCVNCDHIPN-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(C)CCC(=O)C2)CC1	2017773602	COKFCQYSFUEHJJ-DZKIICNBSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CC[C@H]2C[C@H]2C)CC1	2017774136	KRIOVNAOPQLUTO-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@H]1CCCC2(CC2)C1	2017795234	ZINDOLITZUIOHK-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCC1(Cn2c(C)cc3ccccc32)CC1	2018921089	KDQHUPRYRKGISN-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCCC1(C[C@@]2(O)C[C@H](C)CC(C)(C)C2)CC1	2018977150	YRJJNBHGOXHMFM-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCCN(CCCC)[C@H]1CCC[C@H](CC)C1	2019200992	ISGXFXFTBYLOEJ-HOTGVXAUSA-N	239.447	4.857	0	10	BJAE	
CCC1(C)CC(Nc2ccccc2C2CC2)C1	2021026071	JYXJNEXRDIFJMK-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
CCC[C@H]1C[C@@H]1CN(C)CCCCCC(C)C	2022459882	LXSWNRSRYMZGFT-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1ccc2sccc2c1	2022491937	GCKRCEFXJCCSOL-WCQYABFASA-N	245.391	4.749	0	10	BJAE	
O=C(CCCC(F)(F)F)CCC1=CCCCC1	2022701496	ACFKPLWPYMEDRF-UHFFFAOYSA-N	248.288	4.569	0	10	BJAE	
Cc1c[nH]c(-c2ccc(C3CC3)cc2)cc1=S	2023470521	PQDKCCNPMVSYOF-UHFFFAOYSA-N	241.359	4.597	0	10	BJAE	
CCC[C@@H](N)CCC1CC(C)(C)CC(C)(C)C1	2024100973	HFBAPYMCOPSPGN-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC1(C[C@H]2CCc3cc(N)ccc32)CCCCC1	2027306712	NTSQLCHPFVXUGZ-CQSZACIVSA-N	243.394	4.659	0	10	BJAE	
CC(C)c1ccccc1C[C@](C)(N)CC(C)(C)C	2027467313	UPXLBOGURJZRPE-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	2027844359	ZBDHYMWSTOEFTN-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CCC=Cc1ccccc1	2028233642	YODTXVSNSPCVQR-IAGOWNOFSA-N	246.394	4.523	0	10	BJAE	
O=C(CCCCCC1CC1)C12CCC(CC1)CC2	2028629745	CABHYUSAHUUJLW-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CC2CCC=CCC2)C1	2028873741	FQGUELLCQWUNFY-RDJZCZTQSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@]12CCCC[C@H]1CCC2	2031797831	HDEULGIAAHVZIJ-QZWWFDLISA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CNC2(CCCC2)[C@H]1C1CCCCCCC1	2033527502	MRXMWMJAGVQVDN-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCNCC1(C[C@@H]2C=CCC2)CCCCCC1	2035587583	CCQGDHNJLNXVQK-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
C1CCCCC(NC[C@@H]2C[C@H]2C2CC2)CCCC1	2035892594	TYFZFGYNGWGOPX-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)CC(C1CC1)C1CC1	2037191219	SZQOSGFNYOZROS-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)[C@@H]1CCC2(CCCC2)C1	2037580237	KGBXLGJPIKQISD-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]([C@H]1CCC2(CCCC2)C1)C1(CC)CC1	2037690759	OCDBIAOFBQWOHI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037695113	QFCDPEXUKMSRRQ-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC[C@@H]1C=CCCCC1)CC1CCCCC1	2038168902	WNZMIWZQYJJJQP-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
C[C@@H](C=C1CCCC[C@]12CCNC2)CC(C)(C)C	2038649918	PHKVQWPTIYOBPP-WMLDXEAASA-N	249.442	4.539	0	10	BJAE	
CCCC1(NCC2CC3(C2)CC(C)(C)C3)CCC1	2040960147	QPRCXXRHFDTLBH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(=CC1CC(C(C)(C)C)C1)C[C@@H]1CCCCN1	2043003973	GPWPFNMYSDGJQR-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C(=O)c2ccccc2C2CC2)CCC1	2045569687	RLWAVDVNBCGAHZ-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)CCCC(=O)c1cccc2c1CCC2	2045683186	WPEMJEXKGLHLGT-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
Cc1cc(C)cc(N(C)CCC[C@H]2CC2(C)C)c1	2046570717	LBGVFXLMGFMDKA-HNNXBMFYSA-N	245.410	4.566	0	10	BJAE	
CCC1(C(=O)C[C@@H]2CC23CCCCC3)CCCC1	2047056569	UQGHHCKLUXNTTH-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CNC[C@@]1(CC2(C)CCCCC2)CCC12CCC2	2047935084	GUBGVJXRRUEJEW-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC(C)=C1C)c1ccccc1	2055538268	APKYAUSUXRKAOT-IAGOWNOFSA-N	243.394	4.616	0	10	BJAE	
CC(C)C1CC(CC(=O)[C@H]2CCCC3(CC3)C2)C1	2056665443	CTRYLTCYKOYFPX-SLTAFYQDSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NC)C1CC2(CCCCC2)C1	2059248111	YPQHWSYVIPMSTO-QDLOVBKTSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H]1CCCCC[C@H]1CNC1CC1	2059250355	PUGZSPWPXSBFJJ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@]1(C[C@H]2CC23CCCCC3)CCCN1	2059467441	QNDQMJYJWFONFX-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CC(C)CC1([C@@H](N)C2=CC[C@H](C)CC2)CCCC1	2060921916	ODKVIPGVJAJTMY-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)C(C)(C)C1CCCC1	2060925101	IOHQMHZHQZJYSA-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)[C@H]1CCCC1(C)C	2061095210	LPHHNFNKAUHQBW-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
C=C=CCCC[C@@H](NCCC)c1ccc(C)cc1	2061565709	FJGSIZVAPXSEGD-QGZVFWFLSA-N	243.394	4.547	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1CC(=C2CCC2)C1)NC	2061723555	RUEXTJOUYFIXJA-DYVFJYSZSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1CC(=C2CC2)C1)C[C@@H](C)C(C)(C)C	2061729980	CKXHLDHPOHSUDH-MLGOLLRUSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1=CCCCC1)C1C[C@@H]2CCC[C@H]2C1	2063499814	CYUDLESDPWIWSY-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CN[C@@H]1C[C@H](CCC(C)=C(C)C)CC2(CCC2)C1	2063627018	DJMASNXNTKMKIH-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](CNC23CCC(CC2)CC3)C1	2065334564	FYDHWGSLCFIURZ-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CC1C[C@H]2CC[C@@H]2C1)C1CCCCC1	2068762792	CECGSPMSAYJNTG-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C1(CC2CCC2)CC1	2069566218	IKAKJBVVBQFZML-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](O)CC2(C(C)(C)C)CCC2)c1	2071904247	OWUSONLASCVRBX-OAHLLOKOSA-N	246.394	4.635	0	10	BJAE	
CCCC1CCC(CN[C@@H]2C=CCC[C@@H]2C)CC1	2072802810	BLGIPSIFKSZZIG-ZGRYLRDCSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C[C@H]2CC[C@H](C)CC2)c1	2072803519	IWZNDPRBLUSABE-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCC12CCCCCC2	2074899481	KXPOVINEZKNSPJ-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](O)CCC2=CCCCC2)C1	2075717723	PMCLDWVQIIFKJC-RRQGHBQHSA-N	248.410	4.620	0	10	BJAE	
CC1CC(C)(CNc2ccccc2C2CCC2)C1	2077261968	JIARSDRRDSKBKM-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CCCC1(CNc2ccccc2C2CCC2)CC1	2077265246	NANWGYJNQAXDKI-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CCCCc1ccc([C@H](N)CCCC2CC2)cc1	2078003025	HZGMUYFVQUXQSI-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CC(C)=C(C)CCc1ccc2c(c1)COC2(C)C	2079111874	YZELSLLAPUQITD-UHFFFAOYSA-N	244.378	4.741	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C[C@@H]2C2CCCCC2)CCC1	2079842655	PCUASQYFECWPKX-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2079864928	NKVAXMBFXAFOBD-JJRVBVJISA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@@H]1C1CCCC1)C1CCCC1	2079886936	RVAXHSVYUPWCIE-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(CC)c(NCC(F)=C2CCC2)c1	2081679156	WEUPYKBGEPZJOS-UHFFFAOYSA-N	247.357	4.631	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)C[C@@H](C)CC(C)C)c1	2082930759	UYGHTVMFCUNEKQ-YVEFUNNKSA-N	247.426	4.684	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@H]2CC23CCCCC3)C1	2084997613	JTAAEJLUFITWFG-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H](O)CC1(C)CC(C)(C)C1	2211617753	NRZSPKNTZDJTFZ-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
N[C@H]1CCCCC[C@H]1CCCCCCC1CC1	2213576260	OGNMNCMMVGYXRU-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CC2(C)CC(C)(C)C2)C1	2221026156	SIDJGGWWFLKHBW-AEGPPILISA-N	249.442	4.523	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)[C@H]2C=CCCCC2)CC1	2221603048	TXJTUAWDVITMAY-DLBZAZTESA-N	247.426	4.554	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@]1(CNC2CC2)CC=C(C)CC1	2221668044	NRIQPKTVXZQYAU-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H](CC)CCC	2244786222	SVQGQTPKZYOLMF-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC)CNc1cccc(Cl)c1F	2244800597	HDXXQYPMTCMEMB-SNVBAGLBSA-N	243.753	4.717	0	10	BJAE	
CCCN[C@H](C)CC[C@H](C)CCCC(C)C	2244836977	MGCDTYKCQAIGBQ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC)C[C@H]1CCCCC12CC2	2246607814	VCJHDYZPAPAQOE-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC[C@H]1CCCC12CC2	2247609234	LJIVPLDIUXBLKN-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](CCCCC[C@H]1C[C@H]1C)NC	2248805712	CMHMHIAKSLSXCS-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
FC(F)c1ccc(NC2CCC=CCC2)cc1	2249282880	ADMPKPHEBUCPKZ-UHFFFAOYSA-N	237.293	4.535	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC12CCC(CC1)CC2	2250352955	QCTRHNIMLOWINN-FYRZTWFESA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccccc1C(C)C	2250362442	UVILZMXHNWPWJH-XJKSGUPXSA-N	233.399	4.636	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@H](CC)CCC	2250374877	YGSBVVKGGLJURT-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@@H](C)C(C)C	2250479274	SEAGVWXZYHYGNB-JYJNAYRXSA-N	241.463	4.848	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@@]1(F)C[C@@H]1C	2250482868	WVTVISVSAYRBTI-KCQAQPDRSA-N	242.378	4.546	0	10	BJAE	
CC(C)[C@@H](C)C[C@H]1C(=O)C(C)(C)CCC1(C)C	2251719662	BZWIQVYAYLQWDN-STQMWFEESA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](N)CC[C@@H]1CCCCC12CC2	2253843770	MNLZAOJCVXCSRV-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CC2CC3(CCCC3)C2)[C@H](C)C1	2254111459	YCMRRVUFNQHFBH-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](N)(CC2=CCCCC2)C1	2255094684	OVAVEWIZHPTEAT-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CC[C@@H]2CCC[C@H]21	2257318043	AZTRYLHRCYWXEM-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@]23CCC[C@H]2CC3)C1	2260515438	HAVNSELZSOCGPZ-KEYYUXOJSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@]23CCCC[C@H]2CC3)C1	2260522747	YFJHAHOCPDTLFA-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)C[C@]12CCCC[C@H]1CC2	2260601424	IGNKUOFZBMBRMD-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@](C)(N)c1cccc(C2CCCC2)c1	2260665976	AALGWWQIFGRVPJ-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)[C@@]23CCC[C@H]2C3)C1	2261262999	DYIPWFKFRPCWHB-TXBNBULBSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CC[C@@H]2C[C@@H]2C1	2298227782	HFJLBZLJPQEOEO-BZPMIXESSA-N	249.785	4.503	0	10	BJAE	
CCCC[C@@](N)(CC)C(CC1CC1)CC1CC1	2298930514	NATULYAYGRUTMQ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCC[C@H](C(C)C)C1	2300680197	BDKBQKGAKUWRJF-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@H](CNC)C1CCCCC1	2300705023	ZFOZZRRJQDZKLZ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H]1C[C@@H](CC=C(C)CC)CCC1(C)C	2300895863	BSLSRIWXTTTXJC-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H]1CCCCC1(C)C	2300897316	RKQGHPIIXUSCHH-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(=CCC(=O)C[C@H]1C[C@H]1C)CCCC(C)C	2300927501	VYYGANPRBDJZDA-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H]1CCCCCCC[C@H]1O	2301856272	IHHPJJZEPUYENU-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1CCCN([C@@H](C)[C@H](C)C(C)C)CC1	2301978857	RMDFQYZGYTVCPG-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
COc1ccccc1CCCC1=CCCCC1	2302344945	MCCSEDJPAZREHA-UHFFFAOYSA-N	230.351	4.518	0	10	BJAE	
CCCCC1CC(N)(C[C@H]2CCC(C)(C)C2)C1	2302686932	FUNMDSRLSKOPNI-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CCCCC1CC(N)(C[C@@H]2CCC(C)(C)C2)C1	2302686933	FUNMDSRLSKOPNI-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)C(C)(C)C(C)C)CC1	2303585485	XUSXKPIPPQAQQZ-LSDHHAIUSA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1(C2CC2)CCCC1	2307817468	PPBYOZRYWRGPDR-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCCCC1(F)F	2307835940	URFDWNMITAKOJN-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@]1(N)C[C@@]12CCC[C@@H]1C2	2310894861	LYFVOTODWOANBJ-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H]1C[C@H]2CC[C@@H]1C2	2313179186	IIVCULOTYVZEHI-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@@]12CCCC[C@@H]1CC2	2313313224	QDHUHTNDGJKXFU-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@H](C)CC2CCC2)cc1	2313660769	SKGNQROOYBXXEF-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CC(=CCN[C@H]1CCC[C@@H](C(C)(C)C)C1)C1CC1	2315275268	YXIIUJQOJWGBKJ-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC1C[C@@H]2CC[C@H]2C1	2315888646	RXMHXXRSPTYCSD-GJZGRUSLSA-N	243.394	4.719	0	10	BJAE	
N[C@@H](CCCC1CCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316698340	LVAZHXWRJDSQFY-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CN(CC1CCCCCC1)[C@H]1CCCCC12CC2	2316880161	WBKWVSWGMGMFNJ-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
N[C@@H](CC1CCCC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316881480	QFVBSNKJGMAWRE-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)C(=O)CC(C)(C)Cc1ccccc1	2317283046	IPWSIARYCBIJLQ-UHFFFAOYSA-N	246.394	4.651	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)CCC2=CCCCC2)CC[C@H]1C	2317937556	ZDFMTRBTNHXFDI-YCPHGPKFSA-N	248.410	4.908	0	10	BJAE	
CN(CCCC1=CCCCC1)C[C@@H]1C=CCCC1	2318573325	QKCZHJPVMGQGHE-QGZVFWFLSA-N	247.426	4.555	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC[C@H]1CC[C@H]1C1CC1	2319751539	XFFJSCIASBZQLM-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2CC[C@H]2C(C)(C)C)c1	2320257514	VQSPSIRPSONPIC-LSDHHAIUSA-N	246.394	4.755	0	10	BJAE	
CCN(C[C@@H]1CCC(C)=C(C)C1)c1ccccc1	2320338427	VLRULTHFKGRXPO-MRXNPFEDSA-N	243.394	4.649	0	10	BJAE	
CN[C@@H](C[C@H]1CCC(C)=C(C)C1)C1(C)CC(C)C1	2320410491	FFAXAPBIVWOKEQ-KDFVVIITSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@H]2CCCC2(C)C)CC1	2320413417	NJCJAOITCJGBAQ-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)[C@@]23CCC[C@@H]2CC3)C1	2321634940	WOOPCFOLEGQKSS-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCCCN[C@H]1CCC[C@H](C)C1	20019383	MUCJCXRZSXKDQT-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(N[C@H](C)CCC(C)C)CC1	21519192	FIRCURQTVHYEKL-QQFBHYJXSA-N	239.447	4.760	0	10	BJAE	
Cc1cccc(N[C@@H](C)CCC(C)C)c1C	21803463	TWSUXWBWNFUGFX-ZDUSSCGKSA-N	219.372	4.540	0	10	BJAE	
CCC[C@@H](NC)c1ccc(C(C)C)cc1C(C)C	35493935	VCAUJASHPHEVDA-QGZVFWFLSA-N	247.426	4.994	0	10	BJAE	
CCC[C@@H](N[C@H](C)CC(C)C)c1cccs1	49541008	IJYROHLPLLAYLV-CHWSQXEVSA-N	239.428	4.614	0	10	BJAE	
CC(C)c1cc2cccc(Cl)c2nc1Cl	63116636	LIGLCHNGGYPMQZ-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cccc(Cl)c2)C1	70562195	FYMXAIAMOJIHMF-DGCLKSJQSA-N	237.774	4.721	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(CCC)CNC(C)C	71127753	UIOATAXSGXTVID-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC1CCC(O)([C@@H]2CCC[C@@H](CC)C2)CC1	71153193	ULYJKGOPYOJMTM-LVDPKSTMSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@H](C[C@H](C)CCC)c1ccccc1	88098167	UCLCPMHIFDVCEU-NVXWUHKLSA-N	247.426	4.596	0	10	BJAE	
CCCN[C@H](CC)[C@H](CC)c1ccc(CC)cc1	92596524	RGLKZVXKGXMELN-IAGOWNOFSA-N	247.426	4.521	0	10	BJAE	
CCCC[C@H](CC)C/C(C)=C/CCNC1CC1	93675652	RTGMAYSZZIHFOC-NHXNDTTKSA-N	237.431	4.681	0	10	BJAE	
CCCCc1ccc([C@@H](C)CC[C@H](N)CC)cc1	107478679	WSNWYKIKAWFUFI-WMLDXEAASA-N	247.426	4.650	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N	110446074	WFNXSDYSHJHOEX-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H](C)CC(C)(C)C	124747374	UNTWRSPJTPAUJJ-ZIAGYGMSSA-N	227.436	4.747	0	10	BJAE	
CCCCCC[C@H](NC)C(CCC)CCC	124762199	CSSFYEQVPMEOJK-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCC[C@@H](NCCCCC(C)C)c1ccccc1	134291344	RUKGWNFULXDUSC-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
CC(=O)c1ccc([C@@H]2CCCC(C)(C)C2)cc1	143451328	PLJWLVULPZMSCN-OAHLLOKOSA-N	230.351	4.573	0	10	BJAE	
Cc1ccc(O)c(-c2cccc3ccccc23)c1	146314350	BJGSGDDRTCXZOY-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
CCC(CC)C[C@]1(N)CC[C@H](C)c2ccccc21	148009297	OCAFNAXHQXQWIT-SUMWQHHRSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H](C)C2CCCCCC2)C1	150103996	GTVJAXADGBXNEB-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H]1CCCC[C@H]1CNCC(C)C	155687560	TUKDHPLVJNFMKS-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2=CCCCC2)C1	161017368	BTTSKJZMQJQOSI-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
CCC(CC)C[C@H](CNCC(C)C)C(C)(C)C	162414649	XQDZJSGAAGODTH-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
CCCC(CCC)C(=O)C1C[C@H](C)C[C@@H](C)C1	166008675	AYJRXQFLYGLIOM-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
O[C@H](c1cccc(C2CCC2)c1)C1CCCCC1	168743317	HOQZFDASMMVQQO-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCCC[C@H]2C(C)C)c1	214503634	AGNVXHMGSBQTRT-ZFWWWQNUSA-N	249.373	4.761	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@H]1CCCC1(C)C	226564345	LNGPXQCSTOVBRU-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCCCC1(C)C	226783268	NZBDIIDAJHEZTC-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](C[C@@H](C)CCC)C1	227176920	ZQWGECMKNQKXMU-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@]1(O)CCC[C@H](CC(C)C)C1	230784124	LGYFZPAEMYLHJD-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CCCCc1ccc([C@H](C)C[C@@H]2O[C@@H]2CC)cc1	250012136	KUPALZNTRSXNFL-XYPHTWIQSA-N	246.394	4.700	0	10	BJAE	
CC(C)CCCCCCNC[C@H](C)CC(C)C	302265532	CITQESCELZNMPT-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cc(CC)ccc1CC	302429970	SAUVXCHXMYCOPU-CXAGYDPISA-N	248.410	4.671	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCCC(C)(C)C)C1	304149283	OHUVOMDEFUXXGW-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CSc1cc2c(Cl)c(C)ccc2s1	307558402	MUOKMCKDMBAYSG-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](NCC)C1CCCC1	308047643	ITHWRHJEQUTHFD-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H](CC)CC(C)C	308099459	QOIBYZXKFAOXBC-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(NCC2(C)CCCC2)c(Cl)c1	309321119	GWTGBWMMGHNDFD-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCC1(CNCCCCCCC(C)C)CCC1	310380759	GVYQRDXEUTYXFR-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC1(C)CCC(CCC(=O)C2CCCC2)CC1	310447170	UQASEFCFIUTTSM-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC1CCC(CN)([C@@H]2C=CCCCCC2)CC1	310757053	NWMWPFGWWRICLH-AQFXKWCLSA-N	249.442	4.668	0	10	BJAE	
CCC[C@H]1CNCC[C@]12CCCC21CCCCC1	312981092	BIGHXRDAUXWTNJ-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CNCC1(CC2CCCCC2)CCCCCC1	316809528	ZOGFXSSDSCYTNF-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(CNC3CC3)CCCC2)C1	317550929	JDTZHKPQJNLHTG-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(CC(CC)CC)CCC[C@H]1C	317699511	DBHJFXNGYNCZJT-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc(NCC/C=C/c2ccccc2)c1	323548020	FXGVOJDQKLMCCY-VZUCSPMQSA-N	237.346	4.510	0	10	BJAE	
CN[C@H](CC/C=C/c1ccccc1)CC(C)(C)C	324299321	QDTXKVAAVITFCA-OQRGYWNNSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H](N[C@H](C)c1ccc(C)c(C)c1)C1CCC1	324930297	NKGLKWGBMURRQM-RHSMWYFYSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@@](CC)(CC1(C)CCCC1)C(=O)O	380050745	VKMNNQAMZSMBJE-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CC(C)CCCCC[C@H](O)CC1=CCCCC1	383237029	UTHTTZZFGPIEGJ-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CN[C@@H]1CC[C@H](C)C[C@@H]1CCCCCC(C)C	383414145	XWHDGCCDILTBPZ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CCCC[C@H]1C	384758946	AERXYJGEFGJEDB-UKRRQHHQSA-N	244.378	4.819	0	10	BJAE	
CC(C)(C)[C@@H](N[C@@H]1CCC1(C)C)c1ccccc1	385112751	ATUYRGUGBZVIBW-CABCVRRESA-N	245.410	4.552	0	10	BJAE	
CCc1cc(NC[C@H]2CCCC[C@@H]2C)ccc1C	394771407	AAUHYVPAFCYGEQ-XJKSGUPXSA-N	245.410	4.796	0	10	BJAE	
CCC[C@@H](Nc1ccccc1CC)[C@@H]1CC1(C)C	397637556	WONWTKIEHWOKSV-GOEBONIOSA-N	245.410	4.876	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)C1CCCCCCC1	400485250	YNTRKBUZBIWNIV-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNC1CCCCCC1	401359464	HMDYNNJNKWKOPI-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CCC[C@H](C)C1	402132782	GFSUEAOOZRTYGM-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](Nc1ccc(C(C)(C)C)cc1)C(C)(C)C	687792117	MZDZKYOWUHAENM-GFCCVEGCSA-N	233.399	4.831	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@@H](C)C1CC1	688964960	PBYVHTQOADONGS-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CCCC12CCC2	690118034	OWKWBPSFQJJOBP-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
CCCNCC1(C[C@@H]2CCC[C@H](C)C2)CC=CC1	690534469	RDUTZBCRGWTZMD-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C(C)C)[C@H]1CCCCC[C@H]1CC	691097864	CIGUHODVVMQBRD-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@@H](C)C1CCC1	692678323	MPTZXVAOQPQGJP-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C1CCCC(CNC[C@]23CCCC[C@@H]2C3)CCC1	693542631	CBIPUDOZTSJPED-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CCC12CCCC2	694349884	LHPVETMHSUOKBP-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)C(C)(C)CC)CC1	695098679	MPXFTDQGLPWWJK-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC2(CC2)C1	695721264	BLUXFCSNRZRQGA-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCCCCC1(O)CCC2(CC1)CC2	695999191	AFGUCQXXZJCLMX-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
O[C@@]1(C2=CCCCCCC2)CCCC[C@H]1C1CC1	696094754	QLRYYLDEHMXPOH-DLBZAZTESA-N	248.410	4.598	0	10	BJAE	
CCC[C@](O)(CCC(C)(C)CC)C(C)(C)C	696715254	ZKILVDSZPJLIRL-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCCC[C@H]1C	696780947	HSQRKBWPGMMDBC-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CCC(C)(C)CC	696799224	JNXDRJMGXODQFS-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC(=O)CCC1CCCCC1	697259040	NISJRIMFCPYIAO-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCc1ccccc1O[C@H]1CCC[C@@H](C)C1	699483669	SXTKLUVFAKRGPF-HIFRSBDPSA-N	232.367	4.597	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cccc(C(C)(C)C)c1	701216670	SCPVRGRTVVLIHM-HNNXBMFYSA-N	247.426	4.810	0	10	BJAE	
CCCCCCOc1cccc2sccc12	705065623	JBZPNOUNBVRACT-UHFFFAOYSA-N	234.364	4.860	0	10	BJAE	
CCC[C@](N)(CCC(C)(C)CC)[C@@H]1CC1(C)C	707743323	LXURHSBKAZTQQH-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]21)C1CCCC1	707800985	SRKYBBZPCVOOLI-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@H](C)CC(C)(C)C	708256871	VYAJAFRAGVYCHF-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCNCCC(C)(C)C[C@H](C)CC(C)(C)C	709078767	LFSVQWZCSXNLOF-CQSZACIVSA-N	241.463	4.865	0	10	BJAE	
CCCN[C@H](CC)CC[C@H](C)CC(C)(C)C	709102922	NWCWHVAWXSYDTF-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(N)C[C@H](C)CC(C)(C)C	709145212	OHMLSRUQPHDQSC-HGTKMLMNSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](C[C@H](C)CC(C)(C)C)C1	709191900	UTEWSBHVOFUKKU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(O)C[C@H](C)CC(C)(C)C	709259163	LEQMVZGIUQKZMK-NYTXWWLZSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@@H](C)c1ccccc1	711334406	YGNPLPWWCCMCLA-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H](C2CCCC2)C2CCC2)C1	711834892	ZBTBGTYRLPWUEZ-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC(=O)C1CCC(C)(C)CC1	713354958	FTSNBOGYVXUQJF-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
Nc1ccc(Cl)cc1-c1ccc(C2CC2)s1	716593949	XKAOTNWDKCCRPG-UHFFFAOYSA-N	249.766	4.528	0	10	BJAE	
CCNC[C@@]1(CCC(C)=C(C)C)CC[C@@H](C)C1	718749659	UIMRXKUAVLLMAY-GDBMZVCRSA-N	237.431	4.539	0	10	BJAE	
CCNC[C@]1(CC(C)(C)C)CCC=CCCC1	719002427	FRROCDQJFKAWLY-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C[C@H]1CC12CC2	722606840	MJZBIORMXUHYIS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1C[C@H]1C)NCCC	722691739	BNRBIEQWZHIGGH-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C1CCCCC1)C1CC1	724013319	ZLAQWQMGAAIXKN-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CCCCCN(CCC1CCCCC1)C(C)C	1461877291	ZSXVNBUBBIEJAZ-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCC[C@@H](C)Sc1ccc(C)cc1C	1656064281	AUZRZDRRCCRUOT-GFCCVEGCSA-N	208.370	4.584	0	10	BJAE	
CCC[C@H](C)CCNC1CCC(C)(CC)CC1	1659928494	NBCVKXIOAJPMTB-FHERZECASA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1NCC1CCC=CCC1	1665723900	RDBJTIJWQCXENX-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CNCC(=CC1CCCCCC1)C1CCCCC1	1880604117	GYGLIAVYYDETAE-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)c1ccc(OCC(C)=CCl)cc1	1889824641	PWALVVCOLJREFY-LBPRGKRZSA-N	238.758	4.722	0	10	BJAE	
CC(C)CCCc1ccc(CC2CC2)cc1	1901883433	SXZWQJAZAKPEIM-UHFFFAOYSA-N	216.368	4.618	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)CCCCC1CC1	1905394187	WQIPGZOXPPRZRB-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCC[C@@H]2CC[C@@H]21	1907051027	WRITZBRRADACOC-KWCYVHTRSA-N	249.785	4.639	0	10	BJAE	
CC(C)c1ccccc1OCCC[C@@H]1C[C@@H]1C	1908590930	BHOOIUKDWCBZKR-UONOGXRCSA-N	232.367	4.625	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1C[C@H]2CC[C@H]1C2	1920182307	IUNYXJHBTFDXBB-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1CC(C(C)C)C1	1921105363	OJUWKNNVUKWESB-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CCCC1CC(CNC(C)C)(C[C@@H](C)CC)C1	1921271777	NYRJMNRCUSMPOF-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C(=O)CC[C@@H]1CC1(C)C)C(C)C	1921420276	UKVXDTWWTGHHTP-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](N)CCC1CCCCC1	1924114528	ZZBUSNOKWFVQSN-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(F)(F)CCC[C@H]1C=CCCCC1	1925816255	FICMFDKDOIFVKR-LBPRGKRZSA-N	216.315	4.948	0	10	BJAE	
Cc1ccc(Cl)c(OCCCC2(C)CC2)c1	1935934705	DTBDMOYOHFABNS-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CC1(C)C[C@@H]1CCCOc1ccccc1Cl	1935938114	VOIPNEQYFWKRKJ-NSHDSACASA-N	238.758	4.545	0	10	BJAE	
CCC[C@H](C(=O)CC1(C)CCCC1)C(C)C	1936206727	JNLVSPOEPYGUTM-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CN[C@H]1CCCC[C@@H](CC2(C)CCCCC2)C1	1940405204	BIEPKFZUJVUVKR-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@]1(CCCC2(C)CC2)CCCCCN1	1940876177	KPYQNTGIHZQDGJ-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)[C@H](CC(C)C)C(C)C	1941243971	REDVGNLMOIFVQF-XHSDSOJGSA-N	242.447	4.738	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)[C@@H]1CCC[C@@H](CC)C1	1941251681	MDBXMFCVXSEYAG-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](C[C@H](C)CC(C)C)NC	1941265574	WOHVLJROZAQUQL-OAGGEKHMSA-N	241.463	4.719	0	10	BJAE	
CCCCCC[C@H](NC)[C@H](CC(C)C)C(C)C	1941266970	MBBQTZARJXSYQU-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1CCCCCCC1	1942652607	JBBQIQGCZYUKHR-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NC1CCC2(CCC2)CC1	1944600412	QDIBKBAWWFZSCF-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC(F)(F)CCNC1CCCCCCCCC1	1947866134	LCXTZASUFCPMOF-UHFFFAOYSA-N	247.373	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CCC(C)(F)F)CC1	1947994019	SUEFQLLRTAAXKM-JSGCOSHPSA-N	248.357	4.533	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@H]1CC12CCCC2	1948079534	FLLMELXNBPJRBQ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C[C@@H]1CCC[C@@H](C)C1	1948333853	VKGKHEPLPKAYJX-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
CCCC1([C@H](N)CCC2=CCCCC2)CCC1	1949051402	NOUMPJBNHVGTIL-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@H]1C[C@@H](C(C)(C)CC)CCC1(C)C	1949663554	XNDNDTYYHNAOHY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(CC1CC2(CCC2)C1)C(C)(C)C	1949839059	FJNWGLYBNDZFPS-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
Cc1ccccc1N(C)CC1C[C@@H](C)C[C@H](C)C1	1964110043	OASMRJIDUVPHHI-KBPBESRZSA-N	245.410	4.504	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H]1C(C)C)c1ccccc1	1964200241	UYFDAZYLUDTXSC-IXDOHACOSA-N	245.410	4.552	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1967698741	FVTVECUBOIYUOT-NXOAAHMSSA-N	249.442	4.680	0	10	BJAE	
Cc1ccc(OC[C@H]2CCCC3(CC3)C2)cc1C	1968308704	YIAMCDCQQQVRJX-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
C[C@H](NCCC1CCCCC1)C12CCC(CC1)C2	1973844587	KVAQBKULRAHBMV-OOHWJJMZSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)C[C@@H](C)C(C)C	1988298805	DSWPCNPOCWNKCJ-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC(C)(C)CC	1990124739	CFYRXTNSCWOJRB-AWEZNQCLSA-N	227.436	4.713	0	10	BJAE	
CCCCCC[C@](C)(N)c1cc(C)c(C)s1	1993982456	RWRLLXHASLYGEB-AWEZNQCLSA-N	239.428	4.509	0	10	BJAE	
CC(C)c1coc2ccc(C(C)(C)C)cc12	1995466510	VMFAGJGIRZULOE-UHFFFAOYSA-N	216.324	4.854	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@@H]1CC[C@H](C)C1	1996268118	HVGFTKCDBMWFEY-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@@](C)(O)CCCC(C)(C)C)CC1	1996549710	WDBVSCXNEKXLEG-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CC2(C)CCC2)CC1	1997116143	JGQGTABDLISOOD-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC1CC([C@H](C)Nc2ccccc2C(C)C)C1	1998658573	SPTVOQXIMZIHOB-MOKVOYLWSA-N	231.383	4.657	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CCC2(CCC2)C1	1998692954	IJUCUFRBOWKOED-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CCCC1CC1)NC	2000334445	FFSXJBPBESFGAH-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CCC=C(C)C)CNC(C)C	2000482455	CQOSJZZBKGTDCA-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H]1CCC12CCC2	2001843800	ITWREJOTTBWEQY-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC1CC([C@@H](C)NC2CCCCCCCC2)C1	2003096400	XEJULVZZZBDUBO-SHARSMKWSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@@H](NC)[C@H]1C	2006987311	XSXGFRAGIZDFHL-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CC(N(C)C2CCCCCC2)C1	2009315774	HRLOLWIGSIQGAP-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
C/C=C/CCC[C@H](O)[C@H]1CCC[C@@H](CC)CC1	2009593289	NHTXYNKARPGSBH-CWWGABCBSA-N	238.415	4.700	0	10	BJAE	
C[C@H](C[C@H]1C[C@H](N)CC(C)(C)C1)CC(C)(C)C	2012041227	IYKKRMQVCUVMSE-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CCC12CCC(CC1)CC2)NC	2012832982	APXXDEAENRTUJC-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@H]1CC12CCCC2	2013266914	LVFDLBQDGSZAEF-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)NCC1CC(C)(CC)C1	2013267441	QJBIQFMUNQDMEK-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)C1(C)CCC(C)(C)CC1	2015271581	ASXCULQXCOOEEE-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)C(C(C)C)C(C)C	2015273987	IFSOSYMZQIVOIX-LSDHHAIUSA-N	241.463	4.575	0	10	BJAE	
CC(C)[C@@H](C)C[C@@]1(CO)CCCC(C)(C)CC1	2015284910	RPUXXOQRCMBVSE-GOEBONIOSA-N	240.431	4.638	0	10	BJAE	
CC(C)[C@@H](C)CN(C)[C@@H](C)C1(C)CCCCC1	2015331858	FROOLOWOTWLQGY-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CC[C@@](N)(CC(C(C)C)C(C)C)C1CCCC1	2015403314	ZHVYDTDDKDNROR-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@H](O)[C@@H](C)CC(C)(C)C)CCC1	2015635941	ROMSKBBJUUFBDV-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)[C@H]1CCC1(C)C	2016142655	ATCQDBHQOHBGIB-SOUVJXGZSA-N	237.431	4.536	0	10	BJAE	
CCC1CCC(NC2(C(C)(C)C)CCC2)CC1	2017097370	GWIPATBKAAZUMN-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)CC1(C(C)(C)C)CCC1	2017146533	UIHMEKYGEBUXMW-UONOGXRCSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)C[C@H]1CC[C@H](C)CC1	2017721866	CGHTXFKEFGFSDR-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCC[C@@H](C)C2)CC1	2017730959	MODNMZQAYHZOLC-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@]2(C)CCCCCN2)CC1	2017731319	QCJWUYVYHNDZKD-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CC1(C)CCCCC1	2017786714	ABWXOFGIUMQIGN-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
C[C@H]1CC[C@](C)(NCCCC2CCCCC2)C1	2017866965	BGMHVPGVAAUXSG-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](N)(CC)CC1CC(C(C)C)C1	2018130175	HXFGJBGCOVZSKM-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@H]1CCCC[C@H]1F	2018181489	KOSYOWCEJQBYDJ-ZNMIVQPWSA-N	243.410	4.558	0	10	BJAE	
CC[C@H]1CCC[C@H](c2nc(C3(C)CC3)cs2)C1	2018312939	UHZZAWZYUKFRGV-RYUDHWBXSA-N	249.423	4.878	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CCC[C@@H](CC)C2)CC1	2018965869	VQOSIWLHKVEBEB-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC1(CCC)CC1	2019192331	JLYPERDFGWTCOQ-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CCCC[C@H](O)C[C@H]1C[C@@H]1C1CCCCCC1	2022453155	CVNHRTGRIVAVFL-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1C[C@@H]1C(C)(C)C)C(C)(C)C	2022557864	RKSHXSAKXZRXEO-DYEKYZERSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN(CC(C)C)C(CC)CC	2022567914	KGVHPLOUMFPYFP-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CC(C)C1(C(=O)CCCCC(C)(F)F)CCC1	2023353390	MVQZXFTWMQVLFP-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CNCC)C[C@H]1CCCC(C)(C)C1	2024094664	LXEWWOSONLZCBL-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H](C(=O)CCC1(F)CCC1)C(C)C	2025239069	XTXPVGOGDDUORN-CYBMUJFWSA-N	242.378	4.546	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@@H]1CCC[C@H](C)C1	2026167769	UOVWYHZGSZGEJY-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCC[C@H]2CC2(C)C)c1	2027832328	KYURSPJJJJYUSG-GOEBONIOSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H](C)[C@@]1(C)Nc2cc(C(C)(C)C)ccc2O1	2027876389	WTBZPLGNHGLZDP-BZNIZROVSA-N	247.382	4.551	0	10	BJAE	
CCCc1ccccc1CNc1ccccc1C	2027901121	HJKFYCXOFDTNFG-UHFFFAOYSA-N	239.362	4.560	0	10	BJAE	
C[C@@H](C[C@@H](C)C1CCCCC1)c1ccc(N)cc1	2027941447	RYTPCHFXJKMUDR-KGLIPLIRSA-N	245.410	4.979	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NC)c1ccc(C)c(C)c1	2028261305	GVZLWMROJWFPSX-DLBZAZTESA-N	247.426	4.636	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)c1ccc(C(C)C)cc1	2028267076	YDPXITKINUDYNY-DLBZAZTESA-N	247.426	4.882	0	10	BJAE	
CCCCCC[C@@H](O)c1cccc(C2(C)CC2)c1	2028560716	SPVDSQAIXBTZEZ-MRXNPFEDSA-N	246.394	4.742	0	10	BJAE	
CCNC[C@@]1(CC2CCC=CCC2)CCC[C@H]1C	2028873930	JANFINSOBLGFAQ-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CC[C@H](CN)[C@@H](CC2CCC=CCC2)C1	2028875763	OXQKORPBNFTLDY-DJIMGWMZSA-N	249.442	4.524	0	10	BJAE	
N[C@H](C1CCCCCC1)[C@@]12CCCC[C@H]1CCC2	2031758384	KIIYBUWLGHBDPT-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@]23CCCC[C@H]2CCC3)C[C@H]1C	2031798962	QLDURPRVZTVILO-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]1NC[C@]12CCCC[C@H]1CCC2	2031808369	KXLPOMHSYDTDNR-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)C[C@H]1C=CCC1	2035587490	DSJSJNXPGQLRKK-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCOc1ccc(N[C@H](C)[C@@H](C)CC(C)C)cc1	2036386955	ZQMPDZZBEDSPDS-UONOGXRCSA-N	249.398	4.568	0	10	BJAE	
CCC[C@@](N)(CCC(C)=C(C)C)c1ccccc1	2037168846	MJXAJBFBSIZMJT-QGZVFWFLSA-N	245.410	4.777	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CC[C@H](C)c2ccccc21	2037217022	WOABOQMRILJLMB-SUMWQHHRSA-N	245.410	4.564	0	10	BJAE	
CC(C)=C(C)CCC1(N)CC2(C1)CC1(CCC1)C2	2039461243	BZBMDTAORWPQCY-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@@H](C)C1)C1CC=CC1	2042025951	ZQOVIOQALDGDTR-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NC[C@@]1(C[C@H]2CC2(C)C)CC=CCC1	2042092910	AUJSNFPGAHZPHM-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC2(CNCC(C)C)CC=CC2)CCC1	2042093559	IMIQSRDDXHNOQS-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CN(CCCC1CCC1)C[C@@H]1CCC=CCCC1	2045314153	HLGJPFAVEWSJHB-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)C1(C(C)C)CC1	2045327028	SFDNFXBIHMDPFT-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C1(C(C)C)CCC1	2045818648	PHVODEZLHYJLGV-INIZCTEOSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CCN([C@@H]2CCCC[C@H]2C)c2ccccc21	2046578642	FYNIFZURINLBGX-IIAWOOMASA-N	243.394	4.579	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC23CCCCC3)CCCCC1	2047013166	TWHOLPGZLCVTSN-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048372497	ZPPOTZXHYAHVCQ-QLPKVWCKSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2[C@H]3CCCCC[C@H]32)C1	2048373349	AYZUQUPSPRZJFH-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048473981	WRZTYGNKDBFGAN-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC1([C@](C)(N)C2[C@H]3CCCCC[C@H]23)CCCCC1	2049210476	BQVOMXCCMWJDBW-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
NCC1([C@H]2[C@H]3CCCCC[C@H]32)CCCCCCC1	2049225967	UOZLNLPMWDREAV-MUJYYYPQSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC[C@](CNC2CC2)(C2CCCC2)C1	2049497949	HLQNZDYQOHTINQ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2[C@H]3CCCC[C@H]32)C1	2049508293	INBMBBURLWDTGS-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1CC(N)(CC2CCC3(CC2)CC3)C1	2049848244	HXZURLDEQLVRAU-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@@H]1CCC2(CC2)C1	2049852888	CVGZUBPXFVMJNK-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@H]1CCC2(CC2)C1	2049962899	KIEIYTNCNSDRSA-CABCVRRESA-N	248.410	4.886	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CC(=O)c1ccccc1F	2050495152	QBHPIYXFBMTOJW-STQMWFEESA-N	248.341	4.615	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CCC[C@@H]1C(C)C	2056452400	QYVCKJBUYHEOLH-GDBMZVCRSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(CN)CCC2(CC2)CC1	2056523640	PSQOOLOXZLBYRS-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2059195130	DGZDCBAEUMHBJJ-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@]1(C)CC=CCC1	2059224987	IBFAWUVXKAPYQV-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
C/C=C/CCC[C@]1(CNC(C)C)CCC12CCC2	2059259658	REZHGZNBIRPPKN-LAQIPUCWSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CCC[C@@H](C)CC2)CC1	2061118614	IQIHOUXWDPYNBA-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C[C@@]12CCC[C@H]1C2	2061615562	GPXBEYNKQZHLEM-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)C1(CCCC3)CC1	2062007929	ADWYVMQOJUSYHT-UHFFFAOYSA-N	239.362	4.543	0	10	BJAE	
CN[C@H]1C[C@H](CC2(C)CCCC2)CC2(CCC2)C1	2063643629	VMYJTGTWPVAOHB-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1C[C@@H](C[C@H]2C=CCCC2)CC(C)(C)C1	2063644056	YFPCBWOKHAQPMV-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C12CCCC1CCC2	2063822845	WZPCTFZUZMMEEU-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](NC[C@H]2CCC=CCCC2)C1	2066627818	QJALZNWGXGPRNN-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CC=C=CCCN[C@H](CC)C1CCC(C)(C)CC1	2067325925	QVNAELPWZKSENP-HMXAXMGYSA-N	249.442	4.692	0	10	BJAE	
CCC[C@](O)(CC1(CC)CCC1)c1ccccc1	2069283865	GLFFSABOKAXRDJ-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CN[C@H](CC1CCCCC1)C1(CC2CCC2)CC1	2069564443	RWMMKFDCFWRCIJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(CC2(CC)CC2)CCCC12CC2	2074624036	NBSVMNCZIBCVAD-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc([C@@H]2CCCCN2CCCC(C)C)o1	2075100214	AGOHHRLEQNFGDI-HNNXBMFYSA-N	249.398	4.551	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)N(CCC2=CCCCC2)C1	2075145062	BWKSCLGCMVJUEY-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
CCCC1CCC(C=C2CN[C@@H]2C(C)(C)C)CC1	2076154098	ODUWJUWQIFISNK-XUJLQICISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H]1CCC[C@@H](C)CC1	2080261803	VUKOIGNVZUZPSP-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C[C@](C)(N)c1cccc(C(C)(C)C)c1	2083544167	ORQJAMNGMHCGNO-KRWDZBQOSA-N	247.426	4.594	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1ccc(C)c(C)c1	2086045733	YYVUSZXEQGPYMB-GUYCJALGSA-N	248.410	4.943	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CC2)CC1(CCC)CC1	2086345646	GLRUPJAUEQGKEQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC[C@H]1C[C@H]1CC)NC	2215253678	OVHNMPFHSISWCS-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@H]1CCn1ccc2cccc(Cl)c21	2215347581	YAQNFWNGKFDKMR-WCQYABFASA-N	247.769	4.731	0	10	BJAE	
CCN[C@@H](CCCCC(F)F)C(C)(CC)CC	2216450139	UNKYYXPHHRKTFL-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC(C)(C)C[C@@H](N)CCCCCCCC1CC1	2216879157	HNKWKUKEJZHYHQ-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)C1CCCCC1	2217136473	IROFCJCCUXXMLA-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC)CC1(C)CCCC1	2217157640	UQEGQWYAXVMHEI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@](N)(C[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218355431	BZFJZLSOVLILDW-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218356394	AMLQWUMUMSVERN-ZIJBQXMVSA-N	249.442	4.501	0	10	BJAE	
C1=C(CCNCCCCCCC2CC2)CCCC1	2218717366	COLXBRZLFGJDCD-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CC(C)c1cccc(NCCCCCC2CC2)n1	2218757422	AEKLTXXICSWNSX-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
C=C=CC[C@H](CCCCCCCC1CC1)NCC	2223108061	BXXBVWHXJQYWAH-QGZVFWFLSA-N	249.442	4.836	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CCC(C)C)c1ccccc1	2223591720	CWOBKPLLOJDFEE-NVXWUHKLSA-N	247.426	4.595	0	10	BJAE	
CCN[C@@H]([C@H](C)c1ccc(C)cc1)C(C)(C)CC	2223967919	HZMUVBBIYOYKPA-ZBFHGGJFSA-N	247.426	4.513	0	10	BJAE	
O=C(CCCCC1CC1)c1cccc2ccoc12	2224162115	HYOSLNQGYGMLHU-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCCN[C@H](c1ccsc1)[C@@H](CC)CCC	2244784346	MZWXAKWLXWQTKV-JSGCOSHPSA-N	239.428	4.615	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(C)cc1Cl	2244798982	DSHWZKTUBQKSLB-GFCCVEGCSA-N	239.790	4.887	0	10	BJAE	
CC[C@@H](C)CC(=O)CC[C@@H]1CCCCC12CC2	2246605340	DIAZMKYMKYKWBS-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C(=O)CC[C@H]2CCC[C@@H](C)C2)CC1	2246661883	BVTHTGNOENNVTK-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](CC[C@H]1CCC[C@H](C)C1)CNC(C)C	2246663804	GQOHESMWPNLOAE-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@]2(C)C=CCC2)C1	2246672484	ZPUKSPXCPFXYIP-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C(C)(C)C(C)(C)C	2247175628	KFXKAQVDEKDEIL-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CCCc1ccccc1OCC1=CCCCC1	2247556253	NBMOHOKVQUADNG-UHFFFAOYSA-N	230.351	4.518	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H](C)[C@H]2CC23CCC3)c1	2248283432	NRZPFFVBPYNGDX-NWDGAFQWSA-N	249.785	4.639	0	10	BJAE	
CCC1CC(C(=O)CCCCC[C@@H]2C[C@@H]2C)C1	2248855392	RZVJNDFCJFMHGL-FGZQJIAISA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](NCC)[C@H](CC)CCC	2250351679	FPTWAKOXQWPELZ-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NCC)[C@]12CCCC[C@@H]1CC2	2251107006	UAEVQFDUPUXHCG-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@]12CCCC[C@H]1CC2	2251217446	GRXCVCQNQTYTMG-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@]1(N)CC(C)(C)CCC1(C)C	2251658954	JWOWEQFCHXVTKP-ZENOOKHLSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1ccc2ccsc2c1	2253085294	BTVGOMYZRKRYOJ-XHDPSFHLSA-N	248.391	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)CCCC23CCC3)C1	2253933700	ZBFVOPWJTPAZTP-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@@H](C)C1)c1ccc(N)cc1	2253994062	BZRRHGYLUOZHRJ-HIFRSBDPSA-N	243.394	4.889	0	10	BJAE	
CC1(C)CC(C[C@@H](N)CC2CC3(CCCC3)C2)C1	2254111121	BGCVFDIKQOBIRN-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)CC1CC2(CCCC2)C1	2254121852	UQUNSBGNKBZCPF-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNC1(C2CC2)CCCCC1	2254526491	MGFXFTCIXJADSP-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC[C@@H]1CCCC12CC2)C1CCCCC1	2255270105	PSHOEOBRELEMLO-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(F)c1NCCC1=CCCCC1	2256110225	DJTFSZCYUOBAHP-UHFFFAOYSA-N	247.357	4.691	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1C2(CCC2)C12CCC2	2259431792	XUNAWQIAIHKARE-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cccc(C(C)(C)C)c1	2259441731	FHABRKARAHXPAB-BBRMVZONSA-N	248.410	4.844	0	10	BJAE	
CC(C)(CC[C@H](N)[C@@]12CCCC[C@@H]1CC2)C1CC1	2260505545	HNDHERFSGMSTHJ-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@]12CCC[C@@H]1CC2	2260510067	ZDLDHEMSAQJLAP-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](NC[C@]2(C)C=CCC2)C1	2261392639	PTIJXJUKNDOXRT-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1cc(F)ccc1F	2298841361	DKZYCERUBVBPTA-LLVKDONJSA-N	241.325	4.592	0	10	BJAE	
CCC1CCC(C(=O)[C@@H](C)CC2CCC2)CC1	2298871128	YCJXMBSMHXEYSG-OPFPJEHXSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@H]1CCCC(C)(C)C1	2300675553	GIJVVQRLISNTNM-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@](C)(O)CC1CCCCC1	2301866246	GAAGYIIXMZBULH-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
Cc1ccccc1-c1nc([C@H](C)C(C)C)cs1	2301906774	CREAKRWBZOIGDE-GFCCVEGCSA-N	245.391	4.878	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@H]2CCC(C)(C)C2)CC1	2302764329	WTZSIEYHRFUJCK-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)C2(C)CCCCC2)C1	2302898825	JVUJLPQDXXUIGU-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1CC[C@H]1C(C)(C)C	2303393173	NTILMZUTRSSNPG-MCIONIFRSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CC[C@@H]1C[C@H]1CC	2303610578	ICKFEQWPIAKLAM-LVQVYYBASA-N	240.431	4.636	0	10	BJAE	
CCC1(NCC[C@@H]2CCC(C)(C)C2)CCCC1	2304362404	UPFBUBZETMYBQE-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)CC[C@H]1CCC(C)(C)C1	2304399684	OXMOQXRBDOKEGS-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)CC[C@@H]1CCC(C)(C)C1	2304425472	MDTCJSPKVPHJCC-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](NC)CC(C)(C)C1	2307910729	ZJAPQWNDUPWHFH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CC[C@@]3(C(C)C)C[C@@H]23)c1	2310126977	ZMEJBXDQLNJIBH-ZOBUZTSGSA-N	243.394	4.540	0	10	BJAE	
CCC[C@@](N)(CC[C@@]12CCC[C@@H]1C2)C1CCCC1	2310382418	PXLGHDUPPRYIGC-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C[C@@H]1C[C@H]1C(C)C	2311565385	CVZMMOHTAPEXOS-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@H]1CC[C@@H]2C[C@H]12	2313030843	MVNPYFDQJOZJBI-JRBZFYFNSA-N	248.410	4.598	0	10	BJAE	
CC(=CCN[C@@H]1CCC[C@H](C(C)C)CC1)C1CC1	2315267466	ZLMQDJDJJLHJHE-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@](C)(N)c1ccccc1C(C)C	2315948823	BGBBPRIUUKXVOY-KRWDZBQOSA-N	247.426	4.810	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@]12CCC[C@H]1C2	2316512040	YYCPAVBMZFSJIW-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CCC(=O)c1ccc(C(C)(C)C)cc1	2316568977	ULKHNASERANWID-UHFFFAOYSA-N	244.378	4.913	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317144473	YLWLLWTXDQVIDE-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](C)[C@@H](C)C(C)C)cc1	2317833126	ZOHFGOMGGXINDF-UONOGXRCSA-N	246.394	4.750	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)CC1=CCCCC1	2318588567	HQKBVAHPXBYDGU-KRWDZBQOSA-N	248.410	4.909	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCCC[C@H]2C[C@H]21	2319253804	XUJWNJNJJMLEJV-ZMSDIMECSA-N	243.394	4.630	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@]12CCCC[C@H]1C2	2320212904	GFXQPVTXRKIWGW-SZOQZIPDSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC[C@@H](C(C)C)C2)CC1	2320237074	GKJLUQOXHDVXAY-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CCC(=O)c1ccccc1	2320240794	OROYKXGNZLEHTQ-ZFWWWQNUSA-N	244.378	4.722	0	10	BJAE	
CC[C@@H]1CCCN(C[C@@H]2CCC(C)=C(C)C2)CC1	2320390434	KAVZGEMXVLMYQG-IAGOWNOFSA-N	249.442	4.635	0	10	BJAE	
CN[C@H](CC[C@@H]1C[C@H]1C)C[C@H]1CCC(C)=C(C)C1	2320395481	FAKRSHVIUSNJAU-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CNc2c(C)cccc2C)CC1	2320411151	HZGYXGYTGXAMLY-MRXNPFEDSA-N	243.394	4.852	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2(C(C)C)CCC2)CC1	2320422305	GTSICKISRRYLBC-OAHLLOKOSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1	2321635616	ACUYUFLNEKLIGK-TUVASFSCSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2C[C@H]3CCC[C@H]32)C1	2321637454	SHTRNCYWDHDQED-GBJTYRQASA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](c1cc(C)ccc1C(C)C)[C@H](C)CC	2327683013	VBLXUENUZMYLHW-RHSMWYFYSA-N	247.426	4.815	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H]2CC(=O)C[C@@H](C)C2)c1	2327780523	CLARNPFBYQCPCL-UONOGXRCSA-N	244.378	4.591	0	10	BJAE	
CCC(C)(C)N(C(C)(C)CC)C(C)(C)CC	20307204	LWRWNEOSFSMCAL-UHFFFAOYSA-N	227.436	4.854	0	10	BJAE	
CCC[C@@H](NCCC(C)(C)C)c1cccs1	49543951	UXGWCAQIDVPDTE-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
CCC[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC	59014238	PRUXPXFIRXLJNL-STQMWFEESA-N	247.382	4.575	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1ccc(Cl)cc1	71085887	IHNVZPHFZJCCNK-RISCZKNCSA-N	240.774	4.590	0	10	BJAE	
CCSc1ccccc1N[C@H](C)[C@@H](C)CC	71104752	IWWDYMLFHTZSCG-NWDGAFQWSA-N	237.412	4.645	0	10	BJAE	
C[C@H]1CCC[C@H](CNc2cccc(Cl)c2)C1	84340448	HODXZDVUOJYORJ-RYUDHWBXSA-N	237.774	4.578	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccsc1	85527806	WUMVPEPIYAIZHA-NSHDSACASA-N	211.374	4.519	0	10	BJAE	
CC(C)CCN[C@H]1CCC[C@H](C(C)(C)C)CC1	86954254	AQYFYFJRZQHLIQ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1	93525275	LINRNMVYHFGVQL-IMJJTQAJSA-N	244.378	4.625	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCCCC1(C)C	94276349	KDBZHJJKACZFMS-CQSZACIVSA-N	249.423	4.789	0	10	BJAE	
Cc1cc(C(=O)C[C@@H](C)CC(C)(C)C)c(C)o1	103996079	JOELKWKLRCQJFX-SNVBAGLBSA-N	236.355	4.542	0	10	BJAE	
CCCC(=O)CCCc1c(C)c(C)cc(C)c1C	107657808	FVQDFEPTEFHCDM-UHFFFAOYSA-N	246.394	4.612	0	10	BJAE	
CCCc1ccc(N[C@H](C)C2CCCC2)cc1	109761684	YNOKFFKHUDLAIL-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC(C)(C)C)C1CCC1	131212276	NQYZSACPPCATOS-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1csc([C@H]2CCC[C@H](C)C2)n1	131968494	JJAWJFCONAVIAD-QWRGUYRKSA-N	223.385	4.560	0	10	BJAE	
Cc1cccc2cc(-c3nc(Cl)cs3)oc12	132045871	YJSOIUVZWSZLFY-UHFFFAOYSA-N	249.722	4.518	0	10	BJAE	
CCCCCC(=O)c1ccc(OCCCC)cc1	135463254	LBEWJKUGVWTXTQ-UHFFFAOYSA-N	248.366	4.629	0	10	BJAE	
Cc1ccc2ccccc2c1[C@H](O)CC(C)(C)C	160971459	AJDHBRGBNCAAFM-OAHLLOKOSA-N	242.362	4.618	0	10	BJAE	
CCCNC[C@@H](CC1CCCCC1)C(C)(C)C	162327174	AJMSTYNUSPWSIW-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC1(C)[C@@H](O)[C@@H]2CCCCCCCCCC[C@H]21	162351384	HPYZGZBIZRWWQQ-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)C(=O)Cc1ccc(CC)cc1	164215940	GADPJHQNMAIPCZ-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)CCCC(C)C	166187094	IABHEEQWFPMTOC-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CC(C)C)c1cc2ccccc2s1	168116768	UMSBDKKZOPZRPT-CYBMUJFWSA-N	247.407	4.598	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)C(CC)CC	203416136	BGXKGWNGAAJPOW-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(C(C)(C)C)cc(C)c1[C@@]1(C)CCS1	214288745	VLTNETJPHOZIED-MRXNPFEDSA-N	248.435	4.953	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CC[C@@H](C)[C@@H](C)C2)cc1	221147697	PTKNMQBHMQPCHC-WWGRRREGSA-N	244.378	4.504	0	10	BJAE	
Cc1cccc(-c2nc(C(C)(C)C)cs2)c1F	221859511	YUBNJJQKGDRBHH-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
C1CCCC(CNCCCC2CCCC2)CC1	225015067	AHNGQPRBPOAEJX-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)CCC(C)C	225981040	LOKSYEMLBFIXPD-GJZGRUSLSA-N	227.436	4.760	0	10	BJAE	
C[C@H]1CCCc2[nH]c([C@H]3CCCCC3(C)C)nc21	226774079	ZRMGXTYUOIFIML-NWDGAFQWSA-N	246.398	4.533	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CC[C@@H](NC)C(C)(C)C	227182213	ADFWLRTXANJAMA-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](NCCC)c1ccsc1C	227913683	GUANLNRXWJOZQX-CQSZACIVSA-N	239.428	4.678	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CC[C@@H](C)c2ccccc21	228158472	SLMXCFDKKSLECJ-VBQJREDUSA-N	245.410	4.564	0	10	BJAE	
CCC(CC)[C@@H](NC)c1cc2ccccc2s1	228694323	VWCDYDIRAKKUOH-OAHLLOKOSA-N	247.407	4.598	0	10	BJAE	
CCN[C@@H](CCCC(C)C)c1ccc(C)c(C)c1	229178348	OHWBDMQIUPSHTI-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1ccc(Cl)c(C)c1	229272938	PATWOVHNGVTGDA-YGRLFVJLSA-N	240.774	4.508	0	10	BJAE	
CC1([C@H](N)C2=CCCCCCC2)CCCCC1	232864093	BUNGXVCGQSMKRY-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CCCC1(CCC)CNc2ccc(Cl)cc21	232937768	YJFYNFBPPYWJFO-UHFFFAOYSA-N	237.774	4.604	0	10	BJAE	
CCC[C@H](NCC1(CCC)CC1)c1ccccc1	233358428	NEAZRVWVNQXMTM-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CC(C)(C)C[C@H]2C)c(C)c1	235233248	MEWDAYUWRIZXND-CABCVRRESA-N	245.410	4.848	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2cc(F)ccc2C)C1	235395684	CXQRLADQPFTGDC-FZMZJTMJSA-N	247.357	4.538	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)C1CCC(CC)CC1	302359346	KUHANJFFXRBWBZ-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CCC2CCCCC2)C1	304128373	QELBTAJLHZUJHO-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
C/C(=C/CCNCC(C)C)C[C@@H](C)CC(C)C	305918658	HIULOSIMQMCRTJ-YMDFIQGPSA-N	239.447	4.641	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H](CC)CC(C)C	308099326	QGKPYSDFKQCTTP-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C1=CCCCCC1	309989203	GPQMVMPSXLUYJN-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](N[C@H]1CC2CCC1CC2)C1CCCC1	313450209	VDUVOMUUWJOQCA-KMZOKZLKSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC(=O)c1ccc2ccccc2c1F	386471711	HIMRHJVJKAVYIV-UHFFFAOYSA-N	244.309	4.598	0	10	BJAE	
CCCCc1ccc(NCCCC2CC2)cc1	394484437	AVBDVKUUNYTVAK-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
Cc1cc([C@@H](N)CCC2=CCCCC2)sc1C	395061944	HFWYUHLUTOELTP-AWEZNQCLSA-N	249.423	4.645	0	10	BJAE	
CCN[C@@H](CCC1CC1)c1ccccc1C(C)C	395544607	VILVQILPFHAFLJ-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCOc1cc2cc(CC)c(Cl)cc2s1	396188251	JXXOSFFNDVWNJK-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H](C)C(C)(C)C	399311467	MIFWPYPPWXQRGQ-DZGCQCFKSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCCC[C@H]1CC1=CCCC1	400610534	GBPUSWRMXMFGMN-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1=CCCC1	401120796	LHFHWPSPVQWOBW-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2CC=CCC2)cc1	402204830	DQAYQIXFPUEQFX-CQSZACIVSA-N	230.351	4.545	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CCC(C)(C)C1CC1	406067613	PLYSMJYPGCHFIE-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
FC(F)c1cccc2ccc(C(F)(F)F)cc12	514255579	LBGQVIVWDZVGKB-UHFFFAOYSA-N	246.178	4.796	0	10	BJAE	
CC(C)CC[C@@H](O)C1CC(C)(C)CC(C)(C)C1	688321091	ZRNMILPHAKDRFJ-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(N[C@H]2CCCC[C@H]2C2CC2)ccc1F	696108167	YPBFZQFBELQIMT-HOCLYGCPSA-N	247.357	4.515	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2C=CCCCCC2)CC1	697620017	GBKCQZOLDHSEKT-HOTGVXAUSA-N	249.442	4.824	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@H]1CCCCC1(C)C	697757228	WNMTZMTVRAYLJT-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCC1(CNC2CC2)CCC(C)CC1	698055450	SHKDGTRZLDLKGL-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@@]2(N)CCCCC[C@H]2C)c1	704938663	GNUWOYMXLZKQQA-RHSMWYFYSA-N	245.410	4.564	0	10	BJAE	
CCCNC[C@@H](CCC)C[C@H](C)CC(C)(C)C	709121951	HIOILGIRIJAWNT-GJZGRUSLSA-N	241.463	4.865	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C[C@H](C)CC(C)(C)C	709139659	JCSNHOYRADZAMA-SWLSCSKDSA-N	247.426	4.766	0	10	BJAE	
CCCN[C@@H]([C@@H](C)[C@@H](C)CC)[C@H](C)CC(C)C	709273913	PLQSEAZMGGFRNR-XUWVNRHRSA-N	241.463	4.719	0	10	BJAE	
Cc1ccc([C@](C)(O)C[C@@H](C)C(C)(C)C)cc1C	710799275	LVFCVXKRRUTBNO-RHSMWYFYSA-N	248.410	4.583	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H](C)C1CCC1)C(C)(C)C	711114017	MAZVLEADNCKZOQ-TZMCWYRMSA-N	238.415	4.844	0	10	BJAE	
CCCCCC(=O)C[C@@H](CC)C(C)(C)C	711163329	RKOWVCRRASXDGI-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)c1csc(C)c1	713681773	UHTKKYPOYLVBGO-LFAOLKIESA-N	249.423	4.620	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C(C)(C)C(C)(C)C	718598530	AWAVYPPGCODBEV-CQSZACIVSA-N	239.447	4.783	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)c1cc2ccccc2s1	722859239	YMKVJCKQHFLVJV-LLVKDONJSA-N	244.359	4.520	0	10	BJAE	
Cc1cc(Cl)c(N[C@H]2CCC[C@H]2C)cc1C	1181919682	ICBWHVLLEXUCPW-RNCFNFMXSA-N	237.774	4.557	0	10	BJAE	
Cc1cccc(Cl)c1CSC1CCCC1	1640653801	GDNPWNPZSMWEFQ-UHFFFAOYSA-N	240.799	4.824	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](CCC)[C@@H]1CC1(C)C	1658815589	JFPQIBDNFWEBSY-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)CC1CCCC1	1659830910	JPDDHTNZCCBZBA-GJZGRUSLSA-N	237.431	4.680	0	10	BJAE	
CCc1cscc1N[C@H]1CCCC[C@@H]1CC	1902377502	VDZQAJPBBZQMIJ-AAEUAGOBSA-N	237.412	4.691	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)CCCCCC1(C)C	1908546726	JCAOKYMOFXHILM-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H](N)C1CC2(CCCCC2)C1	1912631399	WBRCDFOQNQFTKX-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(C(=O)C2CC3(CCCCC3)C2)CC1	1912641851	YDSLRADHAZEMSL-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CC2(C)CCCCC2)[C@H](C)C1	1916096625	RJQFTQKACKTKDM-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@H](C)CC(C)(C)C	1920188286	TZMWYHNZMVZVPB-LZWOXQAQSA-N	241.463	4.993	0	10	BJAE	
CCC[C@H](C)C1(CNC(C)(C)C)CC(CC)C1	1921203291	FIPJTVIRDCERRS-HLIUYOAVSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC(=O)[C@@H](C)C2CCCCC2)CCC1	1924102081	WUSKKYNOKYBMDP-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@H]1C=CCCCC1	1925911364	QVEIKSVDUOEGCI-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C)CCCC1(C)CCCCC1	1935624596	DYBQMVAMRUQYSL-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)CCCCCC(C)C	1936200082	YAUWZISLHZQOOZ-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CCC[C@@H](C(=O)C1CCCCCC1)C(C)C	1936205800	DRELZSQOQPFUIV-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)Oc1cc(F)cc(Cl)c1	1937175596	YPRUKZKFRFZLDH-SNVBAGLBSA-N	244.737	4.683	0	10	BJAE	
C[C@H]1C[C@H](C)CC(N)(CC2(C)CCCCC2)C1	1940408150	SDLRICWHUGLXAB-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)NC1(C2CCCCC2)CC1	1940488340	BXFIERPEOIHWKH-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](C[C@H](O)CCC1(C)CC1)C1CCCCC1	1940792235	JKPPNEBBWCKENK-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@](O)(CCCC1(C)CC1)C1CC1	1940867463	BUBNNWPQVDVKIW-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)CCC1CCCC1	1940875640	JBWQNGZTZGIYEB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](N)CCC1CCC(C(C)(C)C)CC1	1941144357	METCBYKCKLTUBH-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](CCC(C)C)C1CC1	1942800130	XLJUGAFYIUAPJU-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C(C)(C)C1CCCC1	1944640222	DNSWXKKUQKVAMJ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC2CCC=CCC2)C1	1945581658	HHZFKTZRRLBLDZ-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H]1C=CCCC1)NCC	1947590636	YAWFYNRIIOCYRB-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CN1CCCC12CCCC2)C1CCCCC1	1962948720	PQVBVNWLBVOSDK-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C(CCC1CC1)CCN1CCC2(CCCC2)CC1	1966221393	MDXWFLOVPQDDOJ-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
C[C@H](CN1CCCCC(C)(C)C1)CC(C)(C)C	1966352599	GZDCNSUOWWBJIN-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CCCC2)C1)C1CCCC1	1967857148	YHAAFPRLPDFDCO-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1967878131	XOZMFPUHLSWQTA-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(NCC[C@H]2CCC[C@H](C)C2)c1	1968230617	SNRXVTPSZFSFIW-XJKSGUPXSA-N	245.410	4.932	0	10	BJAE	
CC1(C)CC2(CC(Nc3cccc(Cl)c3)C2)C1	1968263386	ZUUDGIDVSOIXNZ-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
CCc1ccccc1NCC1C[C@H](C)C[C@@H](C)C1	1968360150	MNHXBWQGDMCNCA-ZIAGYGMSSA-N	245.410	4.733	0	10	BJAE	
CCCC(CCC)NCC1CC(C(C)(C)C)C1	1971520515	HTMSBECEEFBITF-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(N)C1(C)CCCCC1	1975573478	MENNNPBPXBDVPO-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCCC1(c2nc(C(C)(C)CC)cs2)CC1	1975749331	NZEDRVSIJJIEER-UHFFFAOYSA-N	237.412	4.662	0	10	BJAE	
FC1(F)CC=C(C[C@H]2C=CCCCC2)CC1	1978194891	CKFRXBJVOHHQKY-LBPRGKRZSA-N	226.310	4.869	0	10	BJAE	
CC(C)CC(=O)CC[C@H]1CCC=CCCC1	1978272527	KGVSNELJUUWWCA-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@](C)(O)[C@@H]1CCCC(C)(C)C1	1978329927	RMIVNXZEVOOXQM-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)CC[C@@H](N)c1ccc(Cl)cc1	1980691075	YHHGKLJWHGZYHC-SMDDNHRTSA-N	239.790	4.556	0	10	BJAE	
CCC[C@H](C)C(=O)C1(C)CCC(C)(C)CC1	1983313411	AWEVOKNEFMDPPX-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](O)CCC1CCC(CC)CC1	1989807737	MQGZZNAKWRKEGU-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1C=CCCCC1	1990968228	HSMYMXBKUYPUGV-GFCCVEGCSA-N	235.758	4.559	0	10	BJAE	
Cc1cccc(C)c1N[C@@H]1CC[C@@H](C)[C@H](C)C1	1995630652	TUVNCMNOOZSKQL-KCPJHIHWSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@@H](CC)C(=O)[C@H]1CCCC(F)(F)C1	2000108357	YWFFZSRYHMCTQP-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CC(C)C1(C(=O)c2sccc2C2CC2)CCC1	2000189000	PBUZYNQZFUQGSY-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCCC1(C(=O)CCC2=CCCCC2)CCC1	2000191902	KFRKWFUMZVCFIW-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1C(C)=CCC[C@H]1C	2000292825	GMQBCTIBKVQFNT-UKRRQHHQSA-N	236.399	4.764	0	10	BJAE	
CCN[C@H](CC1(C)CC1)C1CCCCCCC1	2002506660	DYXLANPDAXHYII-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC([C@@H](C)CNC(C)(C)C)CC1	2002922184	VWVJNAGXGUVFCV-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CCCC2CCC2)C1	2002982645	IOQNGYDOTPZLOV-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H]1CC[C@H](C)CC1	2003108843	PMUXXWIYRNGLBL-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCC)CC1CCC2(CC1)CC2	2003216283	BGTMSIUEZMVEDC-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@]2(C)C=CCC2)CC1	2003325772	LBLDQVLCNJQBFJ-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CCCCC(C)C)c1ccco1	2003686667	XKHJGXOGXHDEBX-CQSZACIVSA-N	237.387	4.537	0	10	BJAE	
CCC1(C[C@@H](O)C2(C)CCCCCC2)CCC1	2004923602	SGZCUHWPQCALGU-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCCC[C@]1(CO)C1CCCCCC1	2005587589	XZBPMEWYELESGY-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CC=C(C)[C@@H](NCC)c1ccc2sccc2c1	2007861990	OEIZCXTWLKFUBQ-OAHLLOKOSA-N	245.391	4.518	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CC2(C)CCCCC2)CC1	2009403329	BAQDHBAXDCBGJZ-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC[C@H]1CC[C@H](C)CCC1=O	2009404324	MJFFQWOOXXOXAP-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@H](O)[C@@H](C2CCCCCC2)CC1	2009409025	XXOOAGGXFLNCDF-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC=CCCCN[C@@H](C)C1CCC(C)(C)CC1	2009592103	LPIMBGSHVIPTJD-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](CC[C@@H]1CC1(C)C)NCC	2009616238	HCMZMBSRPVSVAM-ZWXLGZMVSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@](C)(CCCC)CNC(C)C	2009618698	DWZVOZOGLLGBLZ-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCCC1CC(Nc2c(C)cccc2CC)C1	2009716283	QMFBJVOHNQNRFN-UHFFFAOYSA-N	231.383	4.548	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CCCCCC12CC2	2011283642	AHJJKUBFTHJVIP-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C[C@@H](C)CC)CC(C)(C)C1	2012042503	VJCMQMNBLJQYKJ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)NCC12CCCC1CCC2	2012151232	DUAIAVIYNRBZSR-FHERZECASA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@](C)(N)[C@@H]2CCC2(C)C)CCC1	2015597890	MKXRJLNJOYJTCL-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]2C2CC2)c2sccc2c1	2017041248	AAMGFWUKAAPBHG-QWHCGFSZSA-N	243.375	4.502	0	10	BJAE	
CCCC1CCC(CCC[C@H](N)CCC)CC1	2017733045	HAILVCUXDATFPQ-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)c1ccccc1	2018137132	RXPPVWRXOSSTLO-ZBFHGGJFSA-N	233.399	4.696	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@H](C)C2CC2)CC1	2019696687	GLQHJTMSUYITKZ-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CC=C(CC)[C@@]1(O)CCC[C@H](C(C)(C)C)CC1	2020973862	KBTKQDPEHCRCEU-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H]1Nc1ccccc1C1CCC1	2021026795	FRANSDSJSLRTHO-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1C[C@H]1C1CCCC1	2022558109	TYACNMQKBCTMQY-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCCCC(C)(F)F)C1	2023311817	OUMFRUBYWHAAEZ-JSGCOSHPSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1C[C@@H]1CCCC(C)(C)C1	2024091483	JAGSUAJBMLOJDF-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)C[C@@H]1CCCC(C)(C)C1	2024123845	NDWSFIFLONZWHG-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@H]1C(=O)CCC[C@H]1C)C1CCCCC1	2024605768	OEUWDYOUVQPIIN-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CC(C)Cc1csc([C@H]2CCCCC23CC3)n1	2026528029	ZOZDIOJHFULFIZ-CYBMUJFWSA-N	249.423	4.779	0	10	BJAE	
CCCCCC[C@@]1(C)Nc2cc(C)cc(C)c2O1	2027857847	OEFCJYITYSNNKJ-INIZCTEOSA-N	247.382	4.794	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@](C)(F)c2cccc(N)c2)C1	2027942316	VSBGCWWOXYPMBO-IOASZLSFSA-N	249.373	4.670	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@H](CC)C(C)C)cc1	2028251574	HTQAPUYSWBTYFR-XKQJLSEDSA-N	247.426	4.882	0	10	BJAE	
CCCc1cccc([C@H](N)[C@@H](CCC)C(C)C)c1	2028253259	VJLCYTIYYFRTSC-IRXDYDNUSA-N	247.426	4.711	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2C[C@H]3CCCC[C@H]32)CC1	2028785925	HRUQJHMQHGOZDF-KDQUWOQTSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)C1CC(C)C1	2028896274	ATJJDEYFDOZFGW-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
C(CCC1CC1)CNC[C@@]12CCCC[C@@H]1CCC2	2031806259	WRTPMYZFIVKEHM-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CC(C)NC[C@@]1([C@H]2C=CCCC2)CCCC1(C)C	2032107322	WKZHSSAVHWDTKM-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(NCC(C2CC2)C2CC2)cc1	2032148947	GGGLAFRHOSBDCW-UHFFFAOYSA-N	243.394	4.658	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C[C@H]1CC1(C)C	2032422713	BDAXATWHGWHVAV-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1c1ccc([C@H](N)CCCC(C)(C)C)o1	2037106126	ZEHVNMCVMBZWPQ-JHJVBQTASA-N	249.398	4.619	0	10	BJAE	
C[C@](N)(CCC1=CCCCC1)[C@@]12CCCC[C@H]1C2	2037174829	PHTXEBFHEHFCFI-YESZJQIVSA-N	247.426	4.565	0	10	BJAE	
CCC1(C)CC(CN)([C@H]2CCC3(CCCC3)C2)C1	2037695135	QJCDQUQEHHWDDZ-UQPPLGOBSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CC1CC2(CCC2)C1	2038086035	RARPUULAGIHCDW-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC(C)(C)C1)c1ccccc1	2038132536	DJYHKIGZDKRNRG-HOCLYGCPSA-N	245.410	4.554	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC[C@@H]1C)c1ccccc1	2038138968	POSBJDUCVRHCDC-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@@H]1CCC2(CC2)C1	2038567168	IBQYRLMGKDRXIK-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C1CCC(CC[C@H]2CCCC[C@@]23CCNC3)CC1	2038643269	AROZUSOYBICVOB-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C1CC2(C1)CC(C)(C)C2	2039424632	SIKPGGDDLMSZSE-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1cc(F)ccc1C	2039446817	IVSWAXTWKBWOTO-SWLSCSKDSA-N	247.357	4.538	0	10	BJAE	
CC(C)[C@H](N[C@@H]1CCCC2(CCC2)C1)C1CCC1	2041288631	AXVKYQOBJWNALV-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@](C)(N)C1CC2(CCC2)C1	2043477584	IHJYCDPOGWFWOV-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC[C@H]1CCC=CCCC1)C1CC(C)(C)C1	2045333209	XDQMLMALNJIUQO-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)[C@@H]2CCCC(C)(C)C2)C1	2045556728	CSNXNJMQSMCAFJ-CFVMTHIKSA-N	248.410	4.764	0	10	BJAE	
CCCC1([C@H](NC)C2=CCCCCCC2)CCC1	2045732644	KLXCNBFJADFQSM-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)C[C@H]1C=CCCCC1	2045999901	JNMJIRVTCQYSOE-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@@H]1CCC12CCC2	2047938329	FRSUMDKXXZLRGN-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C23CCC(CC2)CC3)C1	2048618181	CHIJHZDUUFGBOY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@H](NC[C@@H]1CC=CCC1)[C@@H]1CCCC(C)(C)C1	2049527664	DNDQDHKTLSHGHC-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCC2(CC1)CC2)C[C@H]1CCCCN1	2049849580	RJLQKEDBPZPHBN-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC1(C(=O)C[C@@H]2CCCC3(CC3)C2)CCCC1	2049939430	BNNLBIKTNXBKSE-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CCC1(CC)CCC(NC[C@@]2(C)C=CCC2)CC1	2051592793	CGBDBSBQVQOGKM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CCC)Nc1ccc(C2CC2)cn1	2052657595	MVNSWINVNPWVHU-HNNXBMFYSA-N	246.398	4.730	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC[C@@H]1CCCCC12CC2	2053434342	QUJWGHIJJXFHNS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H]([C@@H]2CCC3(CCCC3)C2)C1	2055115084	VIVHEBHNIQYILU-ZNMIVQPWSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(CN2CCCCC23CCCCC3)C1	2056758953	NJMSMMSEBHNCCA-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CC1CCCCC1	2056877959	FWZFWZFBFGUGMO-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC=C([C@@]2(N)CCCC23CCCC3)CC1	2061110581	IQWHFLYKWZIHEB-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)C(C)(C)C1CC1	2061141087	SBDZDUJEHPCRQK-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](NCC[C@@]12CCC[C@@H]1C2)C1CCCC1	2061588020	QMPMOWDBKVNNPT-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc2c1ccn2CC[C@]12CCC[C@@H]1C2	2061604379	ZCWOCSHQOPJKGN-PBHICJAKSA-N	239.362	4.530	0	10	BJAE	
CC(C)CC(CC(C)C)NCC1CC(=C2CC2)C1	2061634599	JDLIBPMLYZWMBG-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CC(=C2CC2)C1)[C@@H](C)CNC(C)(C)C	2061659832	CBCPVAYDBWCCMS-STQMWFEESA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C[C@H](N)CC1CC(=C2CCC2)C1)C(C)(C)C	2061738049	YFNNAIQMRRQHGF-LRDDRELGSA-N	249.442	4.667	0	10	BJAE	
CC(C)CNC[C@@]1(CC2=CCCC2)CCC1(C)C	2068245815	UDWSZOWICAPLEY-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccc([C@](C)(N)C[C@@H](C)C(C)C)cc1	2069018879	LPDOSVAVLGTNQX-RHSMWYFYSA-N	247.426	4.666	0	10	BJAE	
CCCC1(CC[C@@H](N)c2ccccc2F)CCC1	2069343179	WVJOMSLYOQUARU-OAHLLOKOSA-N	249.373	4.576	0	10	BJAE	
CC[C@H]1CC[C@H](CNC[C@]2(C)CC=CCC2)CC1	2072682706	XOIGKYCGNREVFZ-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)C[C@H]2CCC23CCC3)CC1	2072794478	USFSLZSRIJLLJQ-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C2CCNC[C@@H]2CC)CC1	2072820373	WSNJTYFEZSQGQI-GPANFISMSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(OCC)cc1	2073345017	FVCQWYOEHIEPCE-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
CCC1(C[C@@]2(N)CCCC3(CCCCC3)C2)CC1	2074629062	LKGVYEQQEOQWKZ-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCCC2)CC[C@H](CC)C1	2075373424	OMWIDXNHKONINB-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)CCC[C@H]2CCCC[C@H]21	2081118953	QLYLJGZTHDZSPM-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(=O)[C@H](C[C@H]2C[C@@H]2C2CCCCC2)C1	2082263739	GTQSXUSRARKGRE-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C[C@H](N)c2ccco2)CC(C)(C)C1	2082975952	NBYGALWEAYBJTC-ZDUSSCGKSA-N	249.398	4.522	0	10	BJAE	
C[C@H](CC(=O)C1C2(CCC2)C12CCC2)C(C)(C)C	2083563309	ZTEXWNSADIAEFS-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1Cn1ccc2ccccc21	2087753687	KMDIYTHBKCSRPU-UHFFFAOYSA-N	249.357	4.813	0	10	BJAE	
c1ccc(CNCCCCCCCC2CC2)cc1	2208975258	DXSFNGCKKKPZEK-UHFFFAOYSA-N	245.410	4.527	0	10	BJAE	
CCCCCC[C@@](C)(N)c1sc(C)cc1C	2210557959	CNDHALXJDSNEPF-CQSZACIVSA-N	239.428	4.509	0	10	BJAE	
CCC[C@@](N)(CC)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213296069	GTTFYWTUIHKPDE-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)CCCCCCC1CC1	2213579594	UFSDJYSYABRJGK-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)CCCCC1CC1	2214566566	XWYXZZYVVWZBKU-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CC(N)(CC[C@H]2C[C@H]2CC)C1	2215257956	XCSJXDAKYBSRQP-FYRZTWFESA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@@](C)([C@H](O)CCCC(C)(C)C)CC1	2215818269	QDBMOBXBACOQLN-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC(C)(C)C)CCC[C@H]1C	2217126206	AEFSJPJQUHBMKT-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC)CCC1CCCC1	2217151628	XEDJVTXOEJJCJR-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218304829	OEECNUMOKNECOB-NYTXWWLZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218356024	IOVTTWQJSXMVJP-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1CC12CCCC2	2218717456	DQEDYKHWOQEWSA-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1CCC12CCC2	2218719086	VJXPJMTYZWIQGL-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC)CC=Cc1ccccc1	2219089895	GMQNQDACWGNNRX-RDJZCZTQSA-N	245.410	4.504	0	10	BJAE	
CC(C)NCCC(C)(C)CC=Cc1ccccc1	2219090375	LSHANZYELNUVGY-UHFFFAOYSA-N	245.410	4.504	0	10	BJAE	
CCC(C)(CC)[C@@H](CC=Cc1ccccc1)NC	2219096884	ZWIDBHPHTKKBBK-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H](Nc1ccnc(C(C)C)c1)C1CCCC1	2220866480	PHEKCVRWUSMEIA-OAHLLOKOSA-N	246.398	4.586	0	10	BJAE	
CCC1CCC([C@@H](N)[C@@]2(C)CC=C(C)CC2)CC1	2221631132	LZIQXCYZLSVBHH-BACDZXNISA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C(=O)CC[C@@H]1C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222970634	DDRWULHRCYQNGI-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CC[C@@]1(CNC2CCC2)C=CCCC1	2223540676	AZLMPCILULWOGG-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@](C)(O)CCC[C@H]1CCCCC12CC2	2246618759	XZFAXRSQWATUPT-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C)C[C@H](C)CC[C@H]1CCC[C@H](C)C1	2246660822	UAXYYWVEBRMWRU-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2CCC(C)(N)CC2)C1	2246680935	NKJQYBPKXXGRQD-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CO)CCC12CCC2	2247353977	IPIAURVUVCFINH-GDBMZVCRSA-N	238.415	4.536	0	10	BJAE	
CC(C)=C(C)CCc1nc(C)cc2sccc12	2249494734	NZLRDCBAWRRMJT-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
CCC[C@@H](CC)CNC1CCC(C)(CC)CC1	2250387851	SOUOKZNLBVJOOU-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCCN[C@@H]1C	2250477048	SRGBJKSYFQPDAW-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)[C@]12CCC[C@@H]1CC2	2251118653	OJTHPNUNRZCNPT-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CCCCC23CC3)C1	2253780318	FYKCWXQWIQOFBP-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2(CN)CC3(CCC3)C2)C1	2253938008	KKKFLRKFRKGEEF-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)[C@H]1CCCCC12CC2	2254543549	MDLZMFHIEVVMPB-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C[C@@H]2CCC23CCC3)C1	2255018239	ZDQVFKACYRQQTH-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CC1(N)CCC2(CCCC2)CC1	2255028353	OIXZYFPFDUXMJH-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C1(CCC)CC1	2255141257	NHXCBMJPKIBIRX-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCCC12CC2)C1(CC)CC1	2255278524	OKWBMEKMCJJBRY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cccc(C(C)(C)C)c1	2257957883	RKZWXCCKXXPQLI-HNNXBMFYSA-N	245.410	4.975	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1ccc(C(C)(C)C)cc1	2259445936	XTSQTRUIWMYQIF-CZUORRHYSA-N	248.410	4.844	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)Cc1ccccc1C(C)C	2259468080	BJWTXHYOJQVQFI-PBHICJAKSA-N	247.426	4.506	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@]12CCCC[C@@H]1CC2	2260487190	LKBASNCPLUYBLB-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
N[C@H](C1=CCCCCCC1)[C@@]12CCCC[C@@H]1CC2	2260491943	QGQNJWOMFJYHDO-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC(C[C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2260615027	YZAANHDPPMVKJW-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)C[C@@]12CCC[C@@H]1CC2	2298711144	WACZKJRHGHXNMQ-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H]1CNc1cc(C2CC2)ccc1Cl	2300673358	GWSCENFPPPVJAQ-MFKMUULPSA-N	249.785	4.675	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H]1C[C@H]1CCC	2300883007	ZSGTVCVFLYTHHE-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301138977	BPLKBEGEGZQTHQ-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1cccc(C2CC2)c1	2301832713	MRTBEZDHKHEQRL-CHWSQXEVSA-N	231.383	4.657	0	10	BJAE	
CCCCCC1CC(N)([C@H](C)[C@@H](C)C(C)C)C1	2301841258	UKKHTNRCMFYZQX-QRNKSROTSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1cccc(C(F)F)c1	2301965970	YTSNVEBGICYIQQ-WDEREUQCSA-N	241.325	4.717	0	10	BJAE	
CCCCC1CC(N(C)[C@@H](C)[C@H](C)C(C)C)C1	2301978864	ROMBMZCHJPEZNS-QVOMUQBLSA-N	239.447	4.568	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CCCC2=CCCCC2)C1	2302332035	RFRUGQLJAVACLX-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2CCC(C)(C)C2)CC1	2302692600	YIWMXJDFGXLBIV-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCCC[C@@H]2C[C@@H]21	2302831267	SPGUADFWVVMUJB-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](O)C(C)(C)C(C)C)CC1	2303525057	MBEQZSLGRFOZSY-LSDHHAIUSA-N	238.415	4.556	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](O)CCCC(C)C)CC1	2303527947	WTUZKLFBFVAVLK-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCC(C)=C(C)C1	2303579509	OENXKBNPNHGPDF-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@](C)(N)CC2CCC2)C1	2304437581	YQGZOVIGLWGENM-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@H]2CCC(C)(C)C2)C(=O)C1	2304448010	UCDRDWRUXBCSGZ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)C(C)(C)C)c1F	2307572906	YYANSGGDANGAJI-LLVKDONJSA-N	237.362	4.796	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)C[C@@H]3CCC[C@@H]32)CC1	2311023137	WJPTWEOUUHNFKR-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]1C1CCCCCC1)C1CCCC1	2311539077	TZOBQPDPWOWIAH-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312906303	XJVQURIVORDKCZ-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1([C@@H](N)C[C@@]23CCC[C@@H]2CC3)CCC1	2313330783	PYWPXNZUIZNMBP-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)C12CCC(CC1)C2(C)C	2313654393	ISYMDDPJPUZQSQ-RFSCMCKOSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H]([C@H](C)CC1CCC1)[C@@]1(C)CC=CCC1	2313659980	HWQSPSFSUSSCGU-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc2[nH]c(CC3CC3)c(C3CC3)c2c1	2315508210	OSGYPLPLOYFKPD-UHFFFAOYSA-N	239.362	4.560	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1N[C@H]1CCCCC12CCCCC2	2316594599	LATIKBZBOZDGPE-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@](N)(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316872172	HLQUHHZNWHZJFR-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1C[C@H]2C=C[C@H]1CCC2	2317120301	YFHUHYDLWFILSD-BIVLZKPYSA-N	249.442	4.536	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCC2(CNC2)C1	2317561676	LXEIRXUXDBXNBB-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC1CC([C@H](C)Nc2cc(F)ccc2C(C)C)C1	2317931342	GXILIGYDQMZXMH-CPCZMJQVSA-N	249.373	4.796	0	10	BJAE	
CC1(C)CCC=C[C@H]1NCCCC1=CCCCC1	2318542958	PGLZRSZXXAYJLT-MRXNPFEDSA-N	247.426	4.601	0	10	BJAE	
C[C@@](O)(CCCC1=CCCCC1)C1CC2(CC2)C1	2318584257	YHDSSRDPFLNECR-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)c1ccoc1	2318587643	BJFZHGVCXQQKHY-MRXNPFEDSA-N	247.382	4.601	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@@H]1CCC12CCC2	2318591717	BDZWSRCEWMWCNE-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC[C@@H]1CC[C@H]1C1CC1	2319740646	LVLWZWIWCYAKLM-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@](N)(CC2CC(C(C)(C)C)C2)CC1	2320267081	ZOINARJVTJWRPA-DQPZFDDXSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)c1ccccc1	2328280607	BHBSAFLLCTZJCT-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@@H](C)CC(C)(C)C)cc1C	36889618	IANYYCBEDVTPIU-WBMJQRKESA-N	247.426	4.766	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccccc2C(C)(C)C)C1	36956486	CLBPPQJUJIUCFP-UONOGXRCSA-N	245.410	4.975	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc(Cl)c1Cl	37243588	OCVBWPMJNCAPCD-SECBINFHSA-N	246.181	4.984	0	10	BJAE	
CCCCCC[C@@H](NC)c1ccccc1Cl	71085502	OJGKEPGBBHBEFU-CQSZACIVSA-N	239.790	4.571	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c(C)c1	85098712	SGCAJSPDOVGMAX-PVXIVEMSSA-N	245.410	4.848	0	10	BJAE	
C[C@@H]1CCC[C@@H](Oc2ccc(C(C)(C)C)cc2)C1	85151250	REVMCVILOMXQRA-CZUORRHYSA-N	246.394	4.942	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCC[C@H](CC)CC1	86898097	FPTMIWZCFQFPKN-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CCCCCC[C@H](N)C1CCC(C(C)C)CC1	87964878	OMTSVHXJUFVWDN-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@](CC)(CNCC(C)C)[C@H](C)CC	94678143	KTFJOAUABYDIMP-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCCCCC[C@H]1C[C@H](C(C)(C)C)CCC1=O	103938795	LYKQOFIZDLLEBM-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@](CC)(CNCC(C)C)CC(C)C	104154596	BJHKVQLTTJIPKH-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@@H]2CCC[C@@H](C)C2)cc1	109733642	HKFQOKNQCMBIIS-KBRIMQKVSA-N	245.410	4.636	0	10	BJAE	
CC(C)(C)C1CCC([C@@H](O)c2ccccc2)CC1	109783015	YQIVWGBKNXNPHQ-GPANFISMSA-N	246.394	4.573	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)c1c(C)cc(C)cc1C	109944730	GLBKAHZAMQNHNZ-CVEARBPZSA-N	247.426	4.841	0	10	BJAE	
CCC[C@@H](NCC)C1CC(C)(C)CC(C)(C)C1	125069628	GRJSDWDUUWSHTG-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H]1C[C@H](CC)CC[C@@H]1CNCC	156040022	XRKAMSZYXWYODN-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CC1=CCCCC1	161230369	STBYAXFZHCKVOJ-ZBFHGGJFSA-N	237.431	4.811	0	10	BJAE	
CC[C@H](C)[C@H](C(=O)C1CCCC1)c1ccccc1	164038952	KGNXHSPKXGVYGC-BBRMVZONSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)c1ccc(C)cc1C	166774781	YNMRQUFMFQQURQ-HYVNUMGLSA-N	245.410	4.520	0	10	BJAE	
CCCCCCc1cccc2c1CCCC2	202526921	JMHZMUDCMYNLSJ-UHFFFAOYSA-N	216.368	4.688	0	10	BJAE	
CCCCCCc1ccc2nc(C)ccc2c1	211835706	CHBFXUZYDLLBRC-UHFFFAOYSA-N	227.351	4.666	0	10	BJAE	
Cc1cccc(C)c1OCCCC(C)(C)C	221216944	UNCAMAUDLISRBT-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
CCCCC[C@](C)(O)[C@H]1CCC[C@@H](CC)C1	226855184	WTJOVFBTNINUET-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@]2(O)CCC[C@@H](CC)C2)C1	226986224	LOBUMBXDPNEIPR-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1CCCC[C@H]1CC	253041852	LRMXQALYMJVECD-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@H](C)CC	300134062	HSBSLFDSSVXAJG-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CCCC(C)(C)C)C1	300810393	FTCLSVUGSJJQDE-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cc2cc(F)ccc2o1	305973870	GZQNWCRMLYODNN-JTQLQIEISA-N	248.297	4.581	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)c1cccc(CC)c1	308041218	AJAWQQQPGAWRAQ-NVXWUHKLSA-N	247.426	4.711	0	10	BJAE	
CCC1CCC(CNCCCC(C)(C)C)CC1	309989577	ICQYNKDNSMKRSK-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC(CC(=O)C2(C)CCCC2)CC1	310196127	ZSKAUGAHCRXNFM-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@H](C)C1)C(CC)CC	310294755	AJXXLHLUORZEMF-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)Nc1cc(C)c2ccccc2n1	310688560	NCJADADWRZPLBT-ZDUSSCGKSA-N	242.366	4.534	0	10	BJAE	
CCCC1([C@@H](N)c2ccc([C@@H](C)CC)cc2)CC1	310948450	QIJJOPTWUWOSIX-BBRMVZONSA-N	245.410	4.780	0	10	BJAE	
C[C@@H]1C[C@H](NCCCC(C)(C)C)c2ccccc21	313278958	GXZDISSASLULSM-CJNGLKHVSA-N	245.410	4.651	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)(C)C)[C@H](C)C(C)C	319777892	GKACZWQUJVQUGR-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
Clc1cccc2c1ccn2[C@@H]1C[C@H]2CC[C@H]1C2	379823783	ZZEYGRWCKNHQIC-ZIBATOQPSA-N	245.753	4.656	0	10	BJAE	
Cc1ccccc1C(=O)C[C@H](C)C1CCCCC1	381294937	YMYKXAIGYOHMDG-AWEZNQCLSA-N	244.378	4.784	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)c2csc(C)c2)c1	381401074	VGQVEAVRZKQZHT-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@@H](C)[C@H](C)C1	383184612	NRDYBFZHUMFRAU-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@@H](C)[C@H](C)CNC(C)C	383220456	RMWPZRVKUKKZAL-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCC(=C/c1ccccc1O)/C=C(\C)CC	383710016	IDKSBYPQOJXTNP-FAEGWCMCSA-N	216.324	4.542	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H](C)c2ccccc2)C1	384781333	QCXPTVWJXUNBOA-SQWLQELKSA-N	244.378	4.576	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cccc(C(F)F)c2)C1	386151126	IVKGOVKYNASNQZ-GWCFXTLKSA-N	239.309	4.615	0	10	BJAE	
CSCc1ccccc1-c1ccccc1C	390295847	AQQUFJGYVYPUEN-UHFFFAOYSA-N	228.360	4.525	0	10	BJAE	
Fc1ccccc1NCCCC1CCCCC1	395189513	YBXFKLAYDBABEI-UHFFFAOYSA-N	235.346	4.598	0	10	BJAE	
CCC(CC)(CC)NCCCC1CCCCC1	395211851	KTPKOKBPAOPQJA-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCCc1ccccc1	395218201	LDPITOAVTCYIDY-MRXNPFEDSA-N	248.410	4.587	0	10	BJAE	
CC[C@H](Nc1ccc(C)c(C)c1)C1CCCC1	395758705	BPWCGOIKJVBWNP-INIZCTEOSA-N	231.383	4.684	0	10	BJAE	
CCC[C@@](O)(CC1(C)CCCC1)[C@@H]1CC1(C)C	397665116	XWIQUNHXZJOCGY-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H]1C[C@@H](C)[C@@H]1C	690188846	JMQKYSQAEATJTM-DVOMOZLQSA-N	245.410	4.576	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1Cl	691249350	AIIOGGFOFWJGFZ-OSAQELSMSA-N	249.785	4.503	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1C[C@@H](C)c2ccccc21	695101722	WOEKJMZUSKQMPF-DVOMOZLQSA-N	245.410	4.649	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CCCC3(CC3)C2)s1	695959760	VKSBPDFDWBLPHT-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCC1CCC(N[C@H]2CCCC[C@H]2C2CC2)CC1	696103819	JFPDZLABMCQAKU-KMZOKZLKSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(CCC=C(C)C)(CNC)CC1	698023707	LDXICBBICMVGBT-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CC[C@@](C)(C(=O)CC2=CCCC2)C1(C)C	699023319	KWOHLXQKIHUFCU-LRDDRELGSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1CC2CCC1CC2	704503758	LVTZJVXDSXAKEW-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@@H]1CCCC12CC2	706219213	YDXWIXQBHTYPHN-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H]1CCc2ccccc2N1)CC(C)(C)C	709100281	GUSLYPASTMJZLI-UKRRQHHQSA-N	245.410	4.876	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@H](C)CC(C)(C)C	709233149	DQTUZSUKXKOOOY-QWHCGFSZSA-N	226.404	4.700	0	10	BJAE	
CC1CCC(Nc2ccc(C3CC3)cc2)CC1	709685893	XILOGMDBLDRVFS-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)c1sccc1C	711271055	ISFCTQWQNJAJGF-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCCC1(CN[C@@H](C2CCCC2)C2CCC2)CC1	711829927	CHKBGRGPRFOEKW-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C[C@@H]1C[C@H]1C1CC1	712927844	TYNRNIGHKXBGBX-XPKDYRNWSA-N	236.399	4.598	0	10	BJAE	
CCc1cc(NCC(C)(C)C(C)C)ccc1C	713148166	KUWOXWCUJNYHCZ-UHFFFAOYSA-N	233.399	4.652	0	10	BJAE	
CC(C)(C)CC(=O)CC12CC3CC(CC(C3)C1)C2	713304089	HATARIYPWSAMLG-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C=C/C=C\CCc1ccc2ccccc2c1C	713656180	LHYSZIUHYZJSGE-PLNGDYQASA-N	222.331	4.823	0	10	BJAE	
C=C/C=C/CCC[C@@H]1CCCC(F)(F)C1	713747243	WLNKBQNKKRTLCW-AAOUONPWSA-N	214.299	4.724	0	10	BJAE	
CC/C=C/[C@H](C)Cc1ccc(Cl)s1	714532955	YQGKIRSQRSCINM-MOVJSRMASA-N	214.761	4.546	0	10	BJAE	
CC/C=C/C[C@@H](C)c1cc(Cl)ccc1OC	714539567	BQAFMIJLVXFPMJ-MVIFTORASA-N	238.758	4.808	0	10	BJAE	
CCC[C@H]1CCC[C@H](NC2CC(C3CC3)C2)CC1	714698600	ZTEBACVOBDKDDH-PXZKZTPFSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](c1cc(C)co1)C1(CC)CCCC1	716148340	OIXQFHYNDRUZEA-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC1([C@@H](N)c2ccc(C3CC3)s2)CCCCC1	716663061	VFHDGNUKSSQUIH-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
C[C@@H](CNC1(C2CCC2)CCC1)C1CCCCC1	717894597	XMBGFGUXZQSHMX-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@]1(N)CCCCCC1(C)C	719193283	ORSJWRLJMPFLOU-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)CCCCCC1(C)C	719230892	UMABNDQNIRPPKJ-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CCNC23CCCCC3)C1	721032015	AOAPNOVQIXKNCA-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	723637756	TZMSGONRKCUWGB-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
Clc1ccccc1CCSc1ccccc1	1559327438	DPXAPYIYEWSRHE-UHFFFAOYSA-N	248.778	4.675	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1ccc(C)c(C)c1	1620732287	KQJUNOMFSVCNCO-RHSMWYFYSA-N	243.394	4.708	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)CCCC(C)C	1900595370	XTLMUAIFDGZXHK-OAHLLOKOSA-N	225.420	4.667	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C(CC)CC	1900691211	OYSVGQUHLXXGEC-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)[C@H](N)CC=C(C)CCCC(C)C	1900900758	OBGXVWIGUBWAKS-HUUCEWRRSA-N	225.420	4.523	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@H](C)C(C)C)cc1Cl	1901622076	ASQGBZRLBLXWBV-NEPJUHHUSA-N	239.790	4.741	0	10	BJAE	
CCC[C@@H](O)CCCCCC1=CCCCC1	1901956828	STUVINWSZPOYRM-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C[C@H](N)CCC[C@@H]1C[C@@H]1C)C(C)(C)C	1908573190	SPDSCMOVPAFHRG-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(O)(CCC[C@@H]2C[C@@H]2C)CC1	1908580827	AQRJHCLGVHYKAC-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C1CC2(CCCC2)C1	1912731169	VECYPAWRPSYVQI-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCC2(CCCCC2)C1	1915853735	BUAWPDRZRFOEIU-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCC(CCC)N[C@H]1CCC2(CCCC2)C1	1916407173	ZMYZLUOQRKIIRE-HNNXBMFYSA-N	237.431	4.658	0	10	BJAE	
CC[C@@](O)(CC(C)(C)C(C)C)c1ccc(C)cc1	1919885835	MEHAQJYBOPNUGQ-QGZVFWFLSA-N	248.410	4.665	0	10	BJAE	
CCCCCC1(CNC(C)C)CC(CCC)C1	1921270134	AROGJMSXYOUJKK-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCCCc1ccc(N[C@@H](C)C2(F)CC2)cc1	1922380592	ZBNLXSYJRXFWEH-ZDUSSCGKSA-N	249.373	4.722	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@]1(C)C[C@@H]1C	1925785013	UAQWQTGKAXFQCO-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(O[C@@H](C)CCC(C)C)c(C)c1	1937175613	YRAVRPDOBMTNSY-AWEZNQCLSA-N	220.356	4.507	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCCC1)[C@H](C)CC	1940408910	NNFBIZCLDSNZDD-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@H](N)[C@H]2CCCC2(C)C)CCCCC1	1940409699	PJMICNZFNQFFCC-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](C[C@@H](C)CC(C)(C)C)NC	1941262216	ALGKWNFYQLOIDP-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](CCC1CCCCC1)NC	1941269567	SCCBRPQJTXDGBO-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)c1cccc(C2CC2)c1	1941526042	FEJLUTKYJIYFMK-INIZCTEOSA-N	231.383	4.534	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(CCCCCC2CC2)C1	1941592314	SRLJLNJTCXCZJI-MIFYACCESA-N	237.431	4.501	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@@H](C)CCC(C)C	1942656231	LWHCXKSYZFUWFL-HNNXBMFYSA-N	239.447	4.783	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@@H]1CCCCC1(C)C	1942658580	HECNGSGJHFFHNR-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)C[C@@H](C)C1CCCCC1	1944618777	QKFVCXDYCHSYSV-UKRRQHHQSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C(C)(C)C(C)C	1944668120	KHCFGWYAPFWSEX-OAHLLOKOSA-N	239.447	4.783	0	10	BJAE	
CCC(C)(C)CCNCCC1(C)CCCCC1	1945432612	PYDBYVODUMTIJV-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC1(C)C[C@@H]1CC1(O)CCCCCCCCC1	1947879716	RWYJRJXZEMXDCP-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)CCCC2CC2)CC1	1948923334	GWQGFWZOVRIWSJ-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)([C@H]2CCC(C)(C)C2)CC1	1949450014	CCIGJFNNHVEBCX-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC[C@H](O)CC1CCCCC1)C(C)(C)C	1949907173	LGQNBMWKSJJNSZ-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
Cc1csc(C(=O)[C@]23CCCC[C@H]2CCC3)c1	1950215707	SURHYNDOMMTIDR-WFASDCNBSA-N	248.391	4.600	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1CCCC(C)(C)CC1	1950913219	FSXZXXHERQXTCI-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccc(Cl)s1	1959914921	UHLHRECSSRKYHR-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1ccccc1Cl	1968255864	DTNPPORWPCBJIA-LBPRGKRZSA-N	239.790	4.967	0	10	BJAE	
CCc1ccc(CN(C)[C@H](C)CCC(C)C)cc1	1968373287	SLEDACBCOBNZQX-OAHLLOKOSA-N	247.426	4.506	0	10	BJAE	
Cc1cc(F)cc(NC[C@H]2CCCC3(CC3)C2)c1	1968588547	BHFYZGCLDRVPJK-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CCC[C@@H](C)CC[C@H](NCC)c1cccs1	1980692487	NCOWUPUNRNKBIX-OLZOCXBDSA-N	239.428	4.615	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@@H](C)CC(C)C	1988793636	ASIJYVWQAUXNMN-GJZGRUSLSA-N	226.404	4.556	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cccc2ccsc12	1996610468	JNXCTRFWXFOWKU-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CCC[C@H](C)C1(O)CCC2(CCCCC2)CC1	2000278492	BGKHMKWKMJDICQ-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CC(C)(C)C(C)C	2000294346	RQIHVGPCAFIRRR-UKRRQHHQSA-N	236.399	4.620	0	10	BJAE	
CCCCC[C@@H](NCCC)C1(CCC)CCC1	2000388596	VZKSBVSFELKKMV-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCC1([C@@H](CC2(C)CCC2)NCC)CCC1	2001153776	NCBDVGWCVAETES-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C(=O)C[C@H]1CCCC2(CC2)C1)C(C)C	2003276596	ZYQJWWBHTDYFBA-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC(=O)C1CCC(C(C)(C)C)CC1	2004193549	HREWCRGAZUDBBS-UHFFFAOYSA-N	236.399	4.764	0	10	BJAE	
CCCCC[C@H](NCCC)C1(C2CCC2)CC1	2004530086	KGRDCDJSCRPMNZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)C1(C)CCC1	2004836688	YSSGZDRTBWTOLI-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@H]1CCC[C@@H]1C	2006757016	AISOJRNUIGQPSI-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@H](NC(CC(C)C)CC(C)C)CCC1	2006905116	LEUQOWZBQJBKRS-OAHLLOKOSA-N	237.431	4.536	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCC(C)=C1C	2006913027	GPDNCKXPLZEAPD-GOEBONIOSA-N	237.431	4.824	0	10	BJAE	
O[C@H](CC=C1CCCCC1)CC1CCCCC1	2007916524	GFUDQDQXUHZEBU-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CCC[C@@H](C)C1	2009636504	XGALJQHINXKTRC-CLTGJZPWSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)C1=CCC(C)(C)CC1	2010712961	BWXGEPYATDUEKA-GJZGRUSLSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)(CCC[C@H]1C[C@@H]1C)CNC(C)C	2011581267	RFYQUPXZAIZMSN-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)c1ccc([C@H](CC)NCCC)cc1	2012295531	BKQRFQSFYYJXCE-INIZCTEOSA-N	231.383	4.561	0	10	BJAE	
CC(C)[C@@H](C)C[C@@]1(O)CCCC12CCCCC2	2015269235	GSUZDXBKMKZKGY-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(O)CCCCC12CCCC2	2015283923	IRHPZOBRFKOVDY-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)CCC(C(C)C)C(C)C	2015347180	NJKGMPWBGZGNPA-GOEBONIOSA-N	241.463	4.704	0	10	BJAE	
CCCC1(C[C@]2(N)CC(C)(C)C[C@@H]2C)CCC1	2015644385	MOWPUWDBBFGJQC-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3C[C@@H]2C3)cc(C)c1Cl	2015647419	HRWKISWTPNJFNM-MBNYWOFBSA-N	249.785	4.557	0	10	BJAE	
CCCCCC[C@@H](NCC)C(C)(C)CC(F)F	2016017195	FHSVOQMCSJBREF-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC(C)(C)C1(CC[C@H](O)C2CCCC2)CCC1	2017116361	JDDKOEKWTBXVOB-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@](O)(C[C@H]2CC[C@H](C)CC2)CC1	2017651470	UQVSKTKQUAUCHI-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CCC2(O)CCCC2)CC1	2017720475	SDTSJJYNDLVJNE-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@H]1CC[C@H](C)CC1	2017722468	PYWUEDDRYDOTPH-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)[C@@H](C[C@H]1CC[C@H](CC)CC1)NC	2017724883	ZUPUXMHKKWLFHD-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNC)C[C@H]1CC[C@H](C)CC1	2017731493	RWVIZBOUXYRYCA-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2017786861	BTLJIUCXZWTVRE-BARDWOONSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1(CC)CC1)NCC	2018999779	MRWQYGLEPUWWDN-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC=C(CC)[C@@H](NCC)C1(C)CCC(C)CC1	2020973784	JEZVEVBMYJULJI-OGVSOVDVSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@H]1CCC)CC(C)C	2022495811	MGSVNBBOWAMOEJ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@](N)(CCC)C1CCCC1	2022562346	HRMDQOZTNUMLDK-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(F)cc1CC	2023449054	WQDLTAHMTWRRQH-GFCCVEGCSA-N	237.362	4.769	0	10	BJAE	
CC=CCCC[C@@H]1CC(C)(C)C[C@H]1NCCC	2023607663	BDWZWYBJXHDAKC-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
Cc1c(N)ccc([C@H]2[C@H]3CCCCC[C@H]32)c1Cl	2023976183	QAHLTHVVBHOUMO-GNXNZQSNSA-N	249.785	4.524	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2CCCC(C)(C)C2)CC1	2024093318	AMJJCYPQXDPGGW-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C[C@@H]1CCCC(C)(C)C1	2024124627	QKKRLOWYYFAUQZ-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCCOc1ccc2occ(C(C)C)c2c1	2026525222	RVJQDQFVWCWZRC-UHFFFAOYSA-N	232.323	4.735	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2CCC23CCC3)n1	2026528390	DFLDBNDRYZMZBN-AAEUAGOBSA-N	249.423	4.779	0	10	BJAE	
CC[C@@H](C)Cc1csc(C2(CC3CC3)CC2)n1	2026532346	YZKHRRNDCMOUDI-LLVKDONJSA-N	249.423	4.563	0	10	BJAE	
CC(C)c1ccc(C2(N)CCCCCCC2)cc1	2026925308	XBZNJCRCXZHAIS-UHFFFAOYSA-N	245.410	4.708	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCCC1)c1ccoc1	2027301952	OSAMSRZFMRBMNC-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1ccccc1C1CC1	2028559705	JIQBUKRDOSGGHM-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CCCC1(C(=O)c2cccc(C3(C)CC3)c2)CC1	2028560434	QEWZGADNDRTIOZ-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CCCN[C@@H](c1ccc(C2CC2)cc1)[C@H](C)CC	2028590751	MHEIDDXRLRPGFH-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
Cc1ccc(C(=O)CCCCCC2CC2)c(C)c1	2028626344	SIZOAUVSZXRSAQ-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CC1CCC(CC(=O)C2CC[C@H]3C[C@@H]3CC2)CC1	2028965544	TVAZBEQDMIXYCO-BGHVQYPCSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](N[C@H]1CC(C)(C)CC2(CC2)C1)C1CC1	2030281289	LKVMTHXDBAPJLX-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CCc1occ(C)c1C(=O)[C@H]1CCCC[C@@H]1CC	2035538139	MIDLDMFKRKROFO-STQMWFEESA-N	248.366	4.550	0	10	BJAE	
CCC[C@](N)(CC(C1CC1)C1CC1)C1CCCC1	2037188913	MIZSWHIOUNOBSM-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)c1nc2c(C)ccc(C)c2[nH]1	2038001276	ZXAQCNWYKQWTRG-ZDUSSCGKSA-N	244.382	4.719	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1cc(C)ccc1C	2039448410	TVVTXCLMYJEREP-GOEBONIOSA-N	243.394	4.708	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1	2041375738	JWKURUZEJYADGG-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)[C@H]1CC=CCC1	2042020189	VHPVWIXONIPKEO-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042344408	GKSABLVQXPLOGH-YVSFHVDLSA-N	249.442	4.680	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CN[C@H](C)c1ccccc1	2043065658	TWMYBYJWFZCYMT-VYDXJSESSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CC[C@@H]1NC1CC2(CCC(C)(C)CC2)C1	2043686453	LVXVPHSQAQELKT-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@@H]1CCC=CCCC1	2045318318	UOAPECBWJCVTMR-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CCC3(CCCCCC3)C2)C1	2045519704	DOOMOHYLHDSJGO-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C[C@H](C)c1ccccc1	2045557277	MPBYBVRDKNVLJG-CABCVRRESA-N	246.394	4.822	0	10	BJAE	
C[C@@H](C[C@H]1CC12CCCCC2)C[C@H]1CCCCN1	2047020500	QATJRXYUHOYBLE-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1	2047354571	RUGCSVUJQLMJAZ-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCC1CC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047426649	HISAUDGXCMTNGZ-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@@H]2[C@H]3CCCCC[C@H]32)CC1	2049213007	XCEUFQOYZFBFRD-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)[C@@H]1CCC[C@H](C)C1	2049539425	GQZFSGZFCSTWLN-IACUBPJLSA-N	249.373	4.761	0	10	BJAE	
C[C@H](C[C@]1(N)CCC[C@H]2CC[C@H]21)C1CCCCC1	2052298715	DMGSRGYCDRNHMX-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@H](C)C1(C)CCC1)c1cccc(C)c1	2052332829	XCMNDNUTSWWYAQ-ZBFHGGJFSA-N	245.410	4.614	0	10	BJAE	
O=C(C[C@H]1CC=CCC1)[C@H]1CCCCC12CCC2	2053356625	FRJBPNSNIFNXCY-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
CCNC[C@@]1(CC2(CC)CCC2)CCCC12CC2	2053362606	XGUYSBKMLAGSFK-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
NC[C@]1(CCC2CCCCC2)CCCCC12CC2	2053410790	LZVKNVPFXBRGEE-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@@H]1CCCCC12CC2	2053412254	NZHLJNPBWRPOFI-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@@H]1CCCCC12CC2	2053434433	SARZJAJVPORSRI-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC(C)=C1C)C1CCCC1	2055550155	RDOCVMDDRYYCSO-SJORKVTESA-N	249.442	4.824	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2CC23CCCC3)CC1	2056537444	WZQRYOYTTYJNAK-NPCAHTBFSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(CC(=O)[C@]23CCCC[C@H]2CCC3)C1	2056665396	CGKJPFHIDHYOAT-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)C(C)(C)C1CCC1	2056875555	HWAHAJAZUXLGKQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CCC[C@H]3C[C@@H]23)CCCCC1	2057361423	QBVZAYFMVYJYGC-DZKIICNBSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](CC)CC1)C1(C)CC(C)C1	2061138838	AOCPOJPGAZYFDS-BYLPVYNFSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(CC)c([C@H](O)C(C)(CC)CC)c1	2061869279	FHQNVWGXPQBVRF-INIZCTEOSA-N	248.410	4.671	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1N[C@H]1CCCCCC12CC2	2062016645	ISIWNBGKZWWDQG-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C[C@H](NCC)C2CC3(CC3)C2)CCC1	2069342456	OVAKCOQJFUHLST-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NCC1(CC2CC2)CCC1)C1(C)CCCC1	2069509933	XBTDLGZLTDFOSS-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1(CC2CCC2)CC1	2069584835	JBUJVCWEVXYUHS-LLCTXKFZSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1CCCC2(CCC2)C1	2070402341	GHPXPWFFCVFYKJ-HZPDHXFCSA-N	249.442	4.824	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CC[C@H]1C1CCC1	2071823708	BAODAYAJLBUOFA-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1(C[C@]2(N)CC[C@H]3CCCC[C@H]32)CCC1	2071939912	FOSNIIPCCIMJJE-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)c2ccccc2C)CC1	2072700382	KKYHPWIZUAQYGU-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@]23CCCC[C@@H]2C3)CC1	2074024937	LDINLEBSIBVWSP-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@@H]1CCCC2(CC2)C1	2074894690	DHEKAHHRYPZCBY-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CCc1ccc(CN(C)[C@@H](C)CC(C)(C)C)cc1	2074918622	JMSHISCSXNXNTM-AWEZNQCLSA-N	247.426	4.506	0	10	BJAE	
CCCN(Cc1ccccc1C(C)C)C(C)(C)C	2075212430	NACDMHSCAIEQIS-UHFFFAOYSA-N	247.426	4.821	0	10	BJAE	
CC1(C)CC(C)(CNc2ccccc2C2CC2)C1	2077265440	TWVSRDDZDYSEQX-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N[C@@H]2CCC3(CCCC3)C2)C1	2085242611	JSXFZYVDKOXFDR-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N[C@H]2CCC3(CCCC3)C2)C1	2085242612	JSXFZYVDKOXFDR-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H](C)C(=O)CCCCCCC1CC1	2210526386	DPVNEAYTDVWCBX-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@H](N[C@H](CC)C2CC2)CC1	2213099643	PJZWEWCTZVOLMQ-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2CC[C@H]2C)CCCC1	2215062622	MHTNSRIPBALBQD-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)NC[C@H](CCCC(C)(C)C)C(C)C	2217151986	AKXOWNDMBPRETM-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C2C[C@H]3CCC[C@H](C2)C3)C1	2218340112	PFQDDHUPKPYRAN-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
Cc1coc(C)c1C(=O)CCCCCCC1CC1	2218727922	UMUIGLBFLQSIRI-UHFFFAOYSA-N	248.366	4.830	0	10	BJAE	
CCCCC[C@](O)(CC)C/C=C/c1ccccc1	2219073223	YIMNJSHDAAUVKU-JIIJFUIFSA-N	246.394	4.811	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC=Cc1ccccc1)NC	2219083277	CPZJVKQBUXYXHS-DOTOQJQBSA-N	245.410	4.504	0	10	BJAE	
N[C@H](CCCCC1CC1)C1CC2(CCCCC2)C1	2220029022	YHDMDLSLJXXIFR-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)c1ccc(C(C)C)cc1	2220960938	OKTUPVFZAFGBQK-XJKSGUPXSA-N	244.378	4.819	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](NC)c1c(C)cccc1C	2221998492	XBQWUJDFOUBJOY-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NC2CC3(CCC3)C2)C1	2222261431	CAKSSFXVXBQROK-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CC(C)CC(=O)CCCCCC[C@@H]1C[C@@H]1C	2243923143	URVSEFBAUVICKU-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC[C@H]1CCC[C@@H](C)C1	2246690472	AXQJJKIHABHGDN-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCC[C@@H](CCCC2(CO)CCCC2)C1	2246726554	KMBHSTLITZDYSU-GJZGRUSLSA-N	238.415	4.536	0	10	BJAE	
CC[C@H](C)C[C@H](CCCCC[C@@H]1C[C@@H]1C)NC	2248818679	DLLNQNFSAIOGOQ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(NCCCC2(C)CC2)cc(C)c1C	2249491811	WUCVXZBNNVPVHZ-UHFFFAOYSA-N	231.383	4.604	0	10	BJAE	
CCC[C@H](CC)CNC(C(C)(C)C)C(C)(C)C	2250391751	XUOKWFFJSVTRPL-ZDUSSCGKSA-N	241.463	4.863	0	10	BJAE	
CCCCCCC(=O)CC1CC2(CC(C)C2)C1	2250450908	XLTYMOCAVNIEQP-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1C[C@H](C)C[C@@H]1C	2250469612	QJLMRWOUWCWLPV-XHSDSOJGSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCCCNC1	2250531445	XYNDHEKQUAENEQ-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](N)c1cccc(C2CCCC2)c1	2251228200	VKOJRXKTPRAMHP-INIZCTEOSA-N	231.383	4.534	0	10	BJAE	
CC(C)CC[C@H](N)CC1CC(CC(C)(C)C)C1	2251492029	JUCPSTQPURRUII-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CCc1cccc(CC)c1NCC1(C)CC(C)C1	2253679466	JZFMWQQZJGDKCK-UHFFFAOYSA-N	245.410	4.660	0	10	BJAE	
C[C@@H]1CCCCCN1CC[C@@H]1CCCCC12CC2	2253847846	BRJUSXAMMBZHQA-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC[C@H](NCC[C@@H]2CCCCC23CC3)C1	2253894327	LBJWGQCQZUYUIT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(N)(CC[C@@H]1CCC[C@@H](C)C1)C2	2254146440	NHWSZUVYHNTNHH-QRUVOMJDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccccc1C1(C)CC1	2259434550	CRGINCBSBOCKEB-CZUORRHYSA-N	245.410	4.564	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@]12CCCC[C@H]1CC2	2260485888	HQSDQVRPBFILSR-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC[C@@]12CCC[C@H]1CC2)C1CCCCCC1	2260573959	KFYCNFSGHUDWIM-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@]12CCCC[C@H]1CC2)C1CCCCC1	2260580646	BPRKYMPAGXBGHW-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@@]12CCCC[C@H]1CC2	2260583305	OCDNTBBTAMXGPZ-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)([C@H](N)C[C@]23CCCC[C@@H]2CC3)C1	2260615565	JDQUUCRUOPMYFC-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@]23CCC[C@H]2CC3)CC1	2260655924	DURLJVZGOFHGPH-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@@H](N)c2cccc(C3CCCC3)c2)CC1	2260728097	YCOTTZRTDHDFPD-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC1CC(CCC(=O)CC2C[C@@H]3CCC[C@H]3C2)C1	2261512694	JMVNDHBRDZTSMC-BGHVQYPCSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC[C@@H]1C[C@@H]1CC	2298137590	AJXUQQRQGHDSDO-ARFHVFGLSA-N	239.447	4.713	0	10	BJAE	
CCCC1CC(CN[C@H](C)CCCC(C)C)C1	2298839110	QREBSCGBNJVVKP-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)c2cc([C@@H]3C[C@@H]3C)[nH]c12	2300647378	VOQCDEDEDAVLPN-WCQYABFASA-N	227.351	4.723	0	10	BJAE	
CCC(CC)CC[C@H]1CCCC(C)(C)[C@H]1NC	2300684856	YQIURRXKKLXVRE-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@](O)(CC)c1ccccc1	2300687636	DYVNNGVOIPXRJE-INIZCTEOSA-N	234.383	4.501	0	10	BJAE	
CCC(CC)CC[C@H]1C[C@@H](NC)C[C@H](CC)C1	2300689519	YRVXWBRUKGCBKA-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC(=CC[C@H](O)[C@H]1CC1(C)C)CCCC(C)C	2300866132	WYDZNKFRJMKEBV-CABCVRRESA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H](C=CC=C(C)CCCC(C)C)CN	2300928105	BPJFWPNXRRODPQ-INIZCTEOSA-N	237.431	4.690	0	10	BJAE	
CC1([C@](C)(N)CC2CCCCCC2)CCCC1	2301147389	JGPBIPSSQBPXOF-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](N)CC1CCCCCC1	2301954437	ZTIOMWSLDUOXID-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303504849	ZZXMJEFJQVQCLM-MELADBBJSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H](C)C2CCC2)CC1	2303597187	NSRVZNZEFYBHJT-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
Cc1cccc(-c2nc([C@@H]3C[C@@H]3C)cs2)c1C	2307693399	KSWOTDIHFDXVCM-GXFFZTMASA-N	243.375	4.550	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CNC)CC=C(C)CC1	2307839848	ADWYLANLXPFVOL-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	2308397651	UWJHTSVDEYLACT-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@@]1(N)CCC[C@@H]2CC[C@@H]21)C1CCCCC1	2309520736	DMGSRGYCDRNHMX-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)[C@@H]1C[C@H]1CCC	2311515299	GAQYHTGIEHXQNM-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313324272	RKERKSZBOZSYFO-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CC=CC[C@@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2316509081	GDHWMKOZKPKWHQ-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C)c1ccccc1C1CCC(C)CC1	2317105057	FWBBCGUUYLXLHA-SHARSMKWSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H](NCCCC1=CCCCC1)c1ccco1	2318529938	WWXJZQODDFTCFX-OAHLLOKOSA-N	247.382	4.601	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@@H]1CCC2(CC2)C1	2318878797	OXRGBXLWIZPHDK-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCC1CC1)CC12CCC(CC1)CC2	2318882516	ZKWSSHLCTIYDIA-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
Cc1ccc(N(C)C[C@@H]2CC[C@@H]2C(C)(C)C)cc1	2320302967	MSXIVMLPYJJCII-HOCLYGCPSA-N	245.410	4.504	0	10	BJAE	
CNC[C@@]1(C[C@@H]2CCC(C)=C(C)C2)CCC1(C)C	2320328491	PUQTZRMEEAWFJX-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCCC1CC(N(C)C[C@H]2CCC(C)=C(C)C2)C1	2320330950	MVSLXIFSLVZGRB-CGZBRXJRSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](CN(CCC(C)C)C2CC2)CC1	2320334970	ACJYETDLIDKQBP-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
CCc1ccccc1OC[C@H]1CCC(C)=C(C)C1	2320346147	CXLFKSNWWBANQR-HNNXBMFYSA-N	244.378	4.764	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2320405899	HBOIGFNVJUBUNO-FZKCQIBNSA-N	246.394	4.518	0	10	BJAE	
CC=CC[C@@H](NCCC)c1cccc(C(C)C)c1	2320526001	UWKJYLZKWLCIIE-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@H]2C[C@@H]2C(C)C)c1	2320570237	JNBUVNHZJGLRHT-JKSUJKDBSA-N	244.378	4.675	0	10	BJAE	
CN[C@H](CCC[C@H]1CCC(C)(C)C1)c1ccco1	2321645673	QHPVHEQJNOBKIA-UONOGXRCSA-N	249.398	4.537	0	10	BJAE	
CCc1ccc(C(=O)CC[C@H]2CCC(C)(C)C2)o1	2321646723	ZXYHUTZRSNEDKV-LBPRGKRZSA-N	248.366	4.631	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(c1ccccc1)C(C)C	2328194348	UPAGXMWDAIOAPQ-DOTOQJQBSA-N	247.426	4.713	0	10	BJAE	
CCC[C@@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1	21505439	LPFAJYYZGLVCFO-ZIAGYGMSSA-N	247.426	4.823	0	10	BJAE	
CCCC[C@H](CC)CNC1[C@@H](C)CCC[C@H]1C	21800736	QNJPDLGOJQOUEO-QGPPMGRFSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc([C@H](NCC)C(CC)CC)cc1	35550720	XXAVFZMGNKKUPE-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCCCC(=O)c1ccc([C@H](C)CC)cc1	36940801	POQDJVFERDUBBO-CYBMUJFWSA-N	232.367	4.963	0	10	BJAE	
CCC[C@H](N[C@H](C)CC(C)C)c1cccs1	49541007	IJYROHLPLLAYLV-OLZOCXBDSA-N	239.428	4.614	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](C)c1sccc1C	83863756	FRYWWKLOWAGJRI-UHTWSYAYSA-N	239.428	4.532	0	10	BJAE	
CCCN[C@H](CCC)CCC1CCC(C)CC1	85082883	NIOATUAJZZKPEF-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCCC1(C)C	86843079	JQQDEOVJMHOVIB-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC2CCCCC2)CC1	86921986	ISIAKUDOBWVKDP-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CC[C@@H](CC)C2)CC1	88010377	CERVZWZWSPXUIZ-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
Cc1ccccc1CNc1c(C)cccc1Cl	90521928	KQYQWLBADDHPHN-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CCCNc1c(C(C)C)c(C)nc2ccsc12	90867471	IEHIBTNDJREFFZ-UHFFFAOYSA-N	248.395	4.550	0	10	BJAE	
CCCCCC[C@H](NC)c1ccc(C)c(C)c1	97468117	CNBZVPLRPPVDDU-INIZCTEOSA-N	233.399	4.534	0	10	BJAE	
CCC[C@H](NCC)C(CC)(CC)c1ccccc1	109748126	UQPUTOTXKYNYLW-INIZCTEOSA-N	247.426	4.523	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(F)c(C)c1	110169273	CIYMVQMECOQAOV-CYBMUJFWSA-N	237.362	4.762	0	10	BJAE	
CCC(CC)C[C@@H](O)CCC1CCCCC1	124228502	BOVVJDKYLQOIHV-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H]1C[C@H](CCC)CC[C@@H]1CNC	125464942	CVOXTUCMSSLALJ-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H]1CCCCC[C@H]1CNC(C)(C)C	131058639	QWALQSPZVRESLI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCc1cccc([C@H](O)CCC2CCCC2)c1	159832534	QGHGPKIIACDMFR-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)c1ccc(C)cc1C	162226176	LZMFFRSECQEVRN-GUYCJALGSA-N	247.426	4.780	0	10	BJAE	
CN[C@H](CCCCCC(C)C)c1ccccc1	166181962	WPJKFXSGHDCAAJ-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
Cc1noc(-c2c(C)c(C)c(C)c(C)c2C)c1C	206426267	DUWGALQEOCUYKA-UHFFFAOYSA-N	243.350	4.501	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCC[C@@H](CC)C1	221500985	BWOZHWSEAHCSDC-RBSFLKMASA-N	225.420	4.514	0	10	BJAE	
CC1=CC[C](O[C]2C=C(C)C(C)=CC2)C=C1C	223691589	ASJSQVPJMZKDEH-UHFFFAOYSA-N	228.335	4.660	0	10	BJAE	
CCCC[C@@H](CCC)Nc1cccc(Cl)n1	226135149	VTCXRXPBROCPHA-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@]2(N)CCCC(C)(C)CC2)C1	226512639	HJYLJWBWKFOFPT-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@@H]1CCCCC1(C)C	226866559	NNDIBCVJVZDMHA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CN[C@H]1CCC[C@H](CC(C)C)C1	230775423	OGGREHFXBBWESZ-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@@H]1CCCCC1(C)C	233350467	HGOCKJLVXBWRMF-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)C1CCCCCC1	234452240	GIALLJABMNRKQV-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@H](C)C[C@H]2C)c1	251011956	HRAUNXJMAZGGAT-NILFDRSVSA-N	231.383	4.540	0	10	BJAE	
CC[C@H](C)N[C@@H]1CCCC[C@H]1C1CCCCC1	251354433	NODQCFMNQFPRGM-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCCC[C@H]1CNCC	251366950	TWZLWIYAKBEARF-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1O[C@H]1C[C@H](C)c1c(C)c(C)cc(C)c1C	251477599	BYTUTJXDKBSRRK-RCBQFDQVSA-N	246.394	4.591	0	10	BJAE	
C[C@H]1CCc2cc([C@@H]3CCC[C@@H](C)C3)ccc2N1	300116308	MXCRLBWHVJHHBM-HZSPNIEDSA-N	243.394	4.727	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCC[C@H](C)CC1	300562935	DAZSPEUMLYMQGO-VGWMRTNUSA-N	239.447	4.760	0	10	BJAE	
C[C@H](C[C@@H](N)CCC1CCCC1)CC(C)(C)C	302249636	KFJZCRFNFWMMJU-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)c1c(C)cc(C)cc1C	302282177	BQMDFEBCJGXFCA-SUMWQHHRSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H](N[C@@H]1/C=C/CCCCC1)C1CCCCC1	302528185	XFTBFBAVSXUVQQ-WZFZXHKMSA-N	249.442	4.824	0	10	BJAE	
CC[C@H](CC1CC1)NCC1CCCCCCC1	305919546	LNCHUQVADPOCEM-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(NC[C@H]2CCC[C@@H](C)C2)cc1C	305947783	CIHSRTLYPAVJKU-HIFRSBDPSA-N	245.410	4.796	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@H]1CCC1CCCC1	305977801	QWDBHSJTMZBUDL-CJNGLKHVSA-N	243.394	4.630	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@@H](CCC)CC(C)C	308049949	LDDZAYGRWOHQHN-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1	308053156	IAOGWTAOELAJAH-GBJTYRQASA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](CCCC(C)(C)C)NC	308077709	XFXCYALHVXMLAH-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)c1ccc(C(C)(C)C)c(Cl)c1N	309233859	ZQQFTCUZCROQQC-UHFFFAOYSA-N	239.790	4.517	0	10	BJAE	
CN[C@H](CCC[C@H](C)C1CCCCC1)C(C)C	310119659	AJEDVPIUUYZHBO-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2(CC)CCC2)C1	310311544	DWSLGDPLVTUGAQ-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C(CC)CC)C(C)(C)C(C)(C)C	310544497	DFPZYQFYHCNFRZ-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)C1CCC(C)CC1	318475666	YYUAGEUCCOOVOM-XUJLQICISA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)CCC)CC[C@H](C)C1	319288287	NEMXAKJDRRRRQS-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCCC)[C@H](C)C(C)C	319773397	FXGKYQDHCMGJST-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H]1CC[C@H](CC)CC1	328424385	BQCPXFNXYXIOCL-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C(C)(C)Nc1nccc2sccc12	379766608	ITMUKVHJCJDQBS-UHFFFAOYSA-N	248.395	4.533	0	10	BJAE	
CCN[C@@H](CC)CCC[C@@H](C)C1CCCCC1	380036121	QMMMWSHWFXCTIA-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(F)ccc1Sc1ccccc1	380519282	WGMJIUFFXYWPGS-UHFFFAOYSA-N	232.323	4.539	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CC3CCC2CC3)cc1	382002447	LYXOGEYBDRYBSM-PUJMQQBBSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CC2(CC)CCC2)C1	382406858	ABXVYOUUUZMMCO-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CC(C)CCCCCn1ccc2ccccc21	383195295	XQXBBFBUNFXWOR-UHFFFAOYSA-N	229.367	4.858	0	10	BJAE	
C[C@H](C[C@@H]1CCCCC[C@@H]1O)C1CCCCC1	383742113	CJNFEQCLMXGIOT-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H]1CCCC[C@H]1C	384499960	CAXOWIDKUOOTSD-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
c1cc(NCCCC2CC2)c2sccc2c1	394505830	KCJHFIZXRWSVRD-UHFFFAOYSA-N	231.364	4.503	0	10	BJAE	
CCc1cc(C(F)F)c2ccsc2c1F	396194521	IDWWKZFWJNHECL-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1c(C(F)F)sc2cc(C)ccc12	396221338	MMMGHTOYCKRCRH-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
Cc1csc2c(C(F)(F)F)ccc(S)c12	396289592	ABJGRMVGYWCMNW-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC(C)[C@]1(C)C[C@H]1NC1CCC2(CCCC2)CC1	397188675	NLGBEJAJUQVXPD-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@@H]1CC[C@H](C)C[C@@H]1CC1=CCCC1	400666273	UEDUJTZTTDCAMB-BHYGNILZSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@H]1CCCC[C@@H]1C	402347447	QKMYHFYJQPSXNC-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@H](CCCC2CC2)c2ccccc2N1	406105228	KCDXRVVJJNMTIG-JSGCOSHPSA-N	229.367	4.555	0	10	BJAE	
CC(C)c1ccc(NCC2(C(C)C)CC2)cc1	687530374	ROXVDKOKSSBXKK-UHFFFAOYSA-N	231.383	4.658	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)C[C@@H](C)c1ccccc1	691127864	NFKYSMGCQMNRNY-VYDXJSESSA-N	246.394	4.512	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)C(C)(C)C1CCC1	692141452	YJTKRJBBUQOVEG-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](NC[C@@H]1CCCC2(CC2)C1)C1CCC1	695717000	NNNKJGPUJDYTSF-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CCC(C)(C)CC	696637106	XIVGOADHVLLFTP-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
CCC(C)(C)CC[C@](C)(CNC(C)C)C1CC1	696680839	ZTBFTGSQEPTNFL-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H]1CCCC[C@H]1CCC=C(C)C	704847134	GEXRPNKAPXVRML-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)C1CCCCC1	704873530	NBWPMUOKRLVBMZ-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(N)CC1CCCC1	707493125	MIQGSEZRPLNGON-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC1(NC[C@@H](C)CC(C)(C)C)CCCCC1	709078595	WROHNRSJBCYANI-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCCCCN[C@@H]1CCCCC[C@@H]1CC	709131972	GVJHBNGHDPPRRZ-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCCCC[C@@H]1C	709165578	FNAURYNJYUFMJL-DZGCQCFKSA-N	231.383	4.630	0	10	BJAE	
CC[C@H](C[C@H](O)[C@H]1CCCC[C@@H]1C)C(C)(C)C	711187827	CBJXENOJDHRTEX-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C[C@@H]1C[C@H]1C1CC1	712959369	ARVJTLULNIWMQS-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
Cc1cscc1N[C@@H]1CC(C)(C)CC[C@H]1C	713048721	JMRRFHQRANXXTL-ZYHUDNBSSA-N	237.412	4.683	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)c1ccsc1Cl	713240261	DWTBHCVJUHIISO-SNVBAGLBSA-N	246.803	4.507	0	10	BJAE	
C=C/C=C\CC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CN	713710140	MTNDHQLTIIYXTD-WKHAIOEXSA-N	249.442	4.546	0	10	BJAE	
C=C/C=C/CCCc1ccc(C(C)C)cc1	713755402	YUMTZZMKRORAEJ-AATRIKPKSA-N	214.352	4.875	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cccc(C(C)C)c1	721749899	SNAZOXNJUKOLLM-OAHLLOKOSA-N	233.399	4.636	0	10	BJAE	
CCN(C[C@@H]1CCCC[C@@H]1C)c1cccc(C)c1	1615919639	CSUNKWBPPOUFSK-HOTGVXAUSA-N	245.410	4.648	0	10	BJAE	
CCC(CC)c1ccc(C(F)(F)F)cc1F	1901880860	GMPLYAGPCFQJKC-UHFFFAOYSA-N	234.236	4.748	0	10	BJAE	
CCC[C@H](C)c1nc([C@@H]2CC23CCC3)cs1	1903456541	NVWUFTSWWOLYIS-QWRGUYRKSA-N	235.396	4.704	0	10	BJAE	
CC[C@@H]1CC[C@H](NC2CC3(CCCCC3)C2)[C@H]1C	1912707384	DFGYIAXNQGVIEI-LZWOXQAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC2(CCCCC2)C1)C1CCC1	1915921923	FNZZRLPNEFWAFZ-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1C=CCCCC1	1925805636	WMVJTHKVNPSFTR-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
Fc1cc(F)cc(CC[C@H]2C=CCCCC2)c1	1925824764	OZPMOCHXYVROLB-LBPRGKRZSA-N	236.305	4.644	0	10	BJAE	
CCCCCC[C@@H](NC)c1csc(CC)c1	1936758643	JHPXXFIOXIVGKK-CQSZACIVSA-N	239.428	4.541	0	10	BJAE	
CCC1(C(=O)CCCCCC(C)C)CCC1	1940111398	QGPOYGMIKNNMFZ-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)CC1(C)CCCCC1	1940410863	VIXMKUHPVBZYHL-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C(C)(CC)CC	1940790442	NLLCMEAXJBDXIR-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@](N)(C(C)C)C1CCC(C(C)(C)C)CC1	1941145124	WALMSXVEVZZVPK-XUJLQICISA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@@H](NCCC2CCCCCC2)C1	1941720325	YGMQXQLVCUVQHC-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(CN)([C@H](C)CCC(C)C)CC1	1942660351	UJLZWXRQNBUXGK-QQFBHYJXSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCCC1CCCCC1	1947457767	WVQLQIHSBMSYER-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	1947843736	WIDKKOPAEPTWAZ-FOLVSLTJSA-N	237.431	4.501	0	10	BJAE	
CCCCCCC1(CNCC)CC(C)(CC)C1	1948410703	GLPALDDBINWKJL-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](CC(=O)[C@@H]1CCC(C)(C)C1)C(C)(C)C	1949500981	IUQUKLILDBWOTI-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC(C)c1ccc(O[C@@H]2CCC(C)(C)C2)cc1	1949502328	UIIBNQOGTMYCLJ-OAHLLOKOSA-N	232.367	4.768	0	10	BJAE	
CC1(C[C@H]2CCC[C@@H](CCN)C2)CCCCC1	1950513884	NAMSOQKJBMUXPP-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CC1(C)CCC(CO)(CC2CCCCC2)CC1	1950919690	YNVXINQSKRCWKH-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](NC[C@H]2CCC=CCCC2)C1	1966015696	JGWJIHFUBCZNDY-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc(NC[C@H]2CCCC3(CC3)C2)c1	1968307794	QHHHOJUHYUEXSH-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
CC(C)C(=O)CCC[C@@H]1CCC=CCCC1	1978281747	KSEIRJMQQYHNTD-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@](C)(CCC(C)C)CNCCC	1978649530	VWBCRBDMCKZLRE-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@]1(C)C=CCCC1	1980485898	XSQXWAQNXKUUGC-HNNXBMFYSA-N	222.372	4.518	0	10	BJAE	
CC(C)c1csc([C@H]2CCCCC2(C)C)n1	1981848812	AKFYJKHBMQJSBY-LLVKDONJSA-N	237.412	4.950	0	10	BJAE	
CC[C@@H](CNc1cccc(F)c1Cl)C(C)C	1988764585	MTYZQMHXAKBNAK-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CCCC(N)(CCC)CC1(C(C)C)CCC1	1989463618	MEZVZTYQFMLMSB-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C)CN(C)CCCCCC(C)C	1990849613	STIXOHGSQAYYHP-OAHLLOKOSA-N	227.436	4.571	0	10	BJAE	
CC(C)C[C@@H](C)CN(C)[C@@H]1CCCC(C)(C)C1	1995835796	PDACUSXWSRGVAY-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CCC[C@@H](C)CC1	1997118484	XWSYDLGSFMQWGM-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)CNC[C@@]1(C)CC=CCC1	1997586730	UWIXIRAFQKUDDH-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCCCCC(=O)c1ccc([C@H]2C[C@@H]2C)o1	2000190409	MYRGDHPNPBMSLD-RYUDHWBXSA-N	234.339	4.556	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCCCCC1(F)F	2000764843	PUIIJGJGXAKDML-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](O)CCCC)CC1	2003097574	BDFCZMJFDDWHDP-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(CN)CCCCC1(C)C	2005589113	KLXKVFXOOIFVFT-ZBFHGGJFSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1CCC[C@@H]1C(C)C	2007622575	MYAMHYQTTLIWGW-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C=C1CCCCC1	2007942887	LGZWEUAQJLGQRP-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1CC(CCC)C1	2009617784	WJGFGKCUEDJYQT-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](CC)[C@H]1CC1(C)C	2013323433	WMVVZJXFCZNJFK-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CCCC1CCC([C@H](N)C[C@@H](C)C(C)C)CC1	2015271915	OOUXEIMWNXFOQM-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC(C(C)C)C(C)C	2015396288	CXGFMKWBJXARSV-GOEBONIOSA-N	241.463	4.848	0	10	BJAE	
CC(C)C(C[C@]1(N)CCC=CCCC1)C(C)C	2015403196	YWZINLNNLLUISM-INIZCTEOSA-N	237.431	4.523	0	10	BJAE	
CCCC1(C[C@@H](CCC2(C)CC2)NC)CCC1	2015640804	WSCQXXTUUDVTFQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CN1CCCCC12CCCCC2	2017468955	OWDAYMBNEKCLME-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCC[C@@H](C)C2)CC1	2017730961	MODNMZQAYHZOLC-LMPOIIKSSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CC2CC(C)C2)CC1	2017770005	GVLMWJKXNHJFSG-GZYXLSHKSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@@H]1C1CC1	2018132653	VFGYNFVCNXFMHH-ARFHVFGLSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)[C@@H]1CCC1(C)C	2018136951	QLPVUPIHECFDTH-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C)N1CCC[C@H]1C1CCCCCC1	2019306572	YENSNXXAKCJTAG-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCCC1CC(CN(C)CCCC(C)(C)C)C1	2019329975	JGFIFSVRNRDHFA-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@@H]1[C@@H](C[C@H](C)CC)CCCC1(C)C	2020365831	YWQLERYGEQFOIA-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(=O)c1cccc(-c2ccc(Cl)c(C)c2)c1	2022731175	PGYMCOMMNRYTRT-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@@H]1C[C@H](C)CCC	2024511760	XXMXUPOSSPSIAT-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)[C@H](CC1CC(CC)C1)NCCC	2025436073	QUUIICRTXAIGGW-XUJLQICISA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)Cc1csc([C@H]2C[C@@H]3CC[C@@H]3C2)n1	2026532080	VTXOZUYHSSPGEL-RVMXOQNASA-N	249.423	4.635	0	10	BJAE	
C[C@@H]1C[C@H]1Cc1nc(C2CCCCCC2)cs1	2026596449	GWUSUSMKDDBNTE-YPMHNXCESA-N	249.423	4.779	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)CCC2(C)CC2)cc1	2027725955	MRICAAKHHOUTAV-CJNGLKHVSA-N	246.394	4.814	0	10	BJAE	
CCCCCC[C@H](N)c1cccc(C2(C)CC2)c1	2028557720	PVYFYDGOWKZVNE-INIZCTEOSA-N	245.410	4.708	0	10	BJAE	
CCN[C@H](c1ccc(C2CC2)cc1)C(CC)CC	2028590376	JDUZMLVTPKIXMX-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(C)C[C@H](NC)c1ccccc1C1CC1	2028595006	CSGUNNCVWTVQSA-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2C[C@H]3CCCC[C@@H]32)C1	2028786788	MXUDYFUJJCPCDU-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H](N[C@H]2CCCC2(C)C)CC2(CC2)C1	2030289372	YBWJSIPKJKGGFY-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@@H]1CC(C)(C)CC2(CC2)C1	2030289416	YLDAGDPTEFZSEN-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)[C@H]1CC12CCC2	2032132329	PIGMQFHWBOOVMW-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C1=CCCCCC1)C(C)(C)C1CCCC1	2032346324	LUILZVVAVGUXBM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C1CCCC1)[C@H]1CCNC12CCCCC2	2034113728	VOCZCYQRYXUSPL-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc2c(c1)C(=O)C[C@@H](CC)CC2	2034185327	XZLXOTWJLPQRRF-ZDUSSCGKSA-N	244.378	4.574	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CC[C@H]2CCCC[C@@H]21	2034262854	KVUREFADAXHQEO-VHDGCEQUSA-N	247.357	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)ccc1F	2035409015	LIEKQBSSDZFKAK-LYRGGWFBSA-N	249.373	4.617	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CC[C@@H](C)[C@@H]1C(C)C	2035414366	WXRAGQHEMJLRNF-XPKDYRNWSA-N	249.373	4.617	0	10	BJAE	
CC(C)NC[C@@H]1CCCCC[C@H]1C[C@H]1C=CCC1	2035592803	PXEFKHVGKQZKDZ-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C[C@@H]1C=CCC1	2035597651	HHUXCVPMNQYPOJ-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC2(N)C[C@@H]3CCCCC[C@H]3C2)CCC1	2037105562	NBXCCAVWSALDSX-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1cc(C)c(C)cc1C	2037137677	WNIGFXAZHXFRBW-INIZCTEOSA-N	247.426	4.828	0	10	BJAE	
CCC1(C[C@@H]2c3ccccc3NC[C@H]2C)CCC1	2037222922	GTUOTYXADZQACY-HIFRSBDPSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CC[C@@H]([C@]2(N)CCCCC23CCCC3)C1	2037577222	HQNPPUKTRMABNX-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CC1=CCCCC1)[C@@H]1CCC2(CCCC2)C1	2037588335	VAVGJIGODQRICH-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C(=O)[C@H]1CCC2(CCCC2)C1)C1CCC1	2037677512	DSOGNJAKTIRBLN-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C[C@@H](C)[C@@H](C)CC)c1ccccc1	2038130380	FQOLJSYAOHMYDP-ZMSDIMECSA-N	247.426	4.800	0	10	BJAE	
Cc1ccccc1NC1CC2(CCC(C)CC2)C1	2038939633	DQZSUUPOOGXDMR-UHFFFAOYSA-N	243.394	4.766	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@@H]2C=CCCCC2)CC1	2040650750	LWKDSJBLSSNOPS-MYBQVCMBSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NC[C@@H]1CC12CCCC2	2041836160	CTXMHOAPVJCQPO-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(=CC1CC(C(C)(C)C)C1)C[C@H]1CCCCN1	2043003975	GPWPFNMYSDGJQR-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(OC[C@H]2CC23CCCCC3)c1C	2047054551	FBSZNYSZIFMPBE-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@]2(N)CCCCC23CCCCC3)C1	2047555959	BYCHDLMRVPIQIS-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC1CCC(CCNC[C@]2(C)CC=CCC2)CC1	2047714805	BFMPCYKSMOEBQZ-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CCC12CCC2	2047936048	NMMBFVIEWMKAJJ-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1[C@H]2CCCCC[C@H]21	2048373393	BPQXEWULXRDIDO-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048411517	ZBDUDPCVCTYDPI-LVNYTYFRSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@@H]3CCCC[C@@H]32)CCC1	2049681063	KGKUMBSSQLLBSD-BHYGNILZSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)CC1CCC2(CC1)CC2	2049860237	SCFDXNZQCCUUQS-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CCC3(CC3)C2)C1	2049953844	ICYUFHPNJQSCCY-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@]2(C)C=CCCC2)c1	2050007298	DMPHSWQLGQMDFL-IAGOWNOFSA-N	244.378	4.590	0	10	BJAE	
Cc1ccc([C@@H](O)CCCC[C@H]2CC2(C)C)cc1	2050427763	CKTLTSNKUATVFA-HOTGVXAUSA-N	246.394	4.635	0	10	BJAE	
Cc1ccccc1C(=O)CCC1CCC=CCC1	2050461141	QSAAVRLQFGDNKZ-UHFFFAOYSA-N	242.362	4.704	0	10	BJAE	
CC1(CNCC2(C)CCCCCCC2)CC=CC1	2052504196	DMADJNZWZVDGTR-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(CN)CCC3(CC3)CC2)C1	2056522540	HUZIAXFKHLMKNF-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
CCCC1([C@@H](N)CC2CC(C3CCC3)C2)CCC1	2056638464	XSUGPAFWLLMXTR-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC(=O)C(C2CCC2)C2CCC2)C1	2056665567	FKEGTWXTYDGHFY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C=C2CCCCC2)C1	2056918931	DZBKIQQVCHBOQE-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CC=CCCCNC[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2059225856	SCQHNYSZPUYUTE-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCCCCC1CC(N[C@H]2CC3CCC2CC3)C1	2059391159	YFXJIAXIECZWQW-HWBDBZLXSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(NC2CC(C3CCCC3)C2)C1	2059392173	MZDCMXMEQUIDCV-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CC[C@@H]1CCCC[C@@H]1C2	2059467518	RCZNOTRJLMEUOV-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(NC[C@@H]2CC(C)=C[C@@H](C)C2)C1	2059489897	KFIJCYRWZNTECB-AKBUMOGYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(N)C2(C)CCCCC2)CC1	2061122694	RGRWZDOKMCBJMP-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H](C(=O)CC1CC(=C2CCC2)C1)C(C)C	2061699460	MVPHMLYVIFQKMD-INIZCTEOSA-N	248.410	4.908	0	10	BJAE	
CN([C@@H]1CCC(C)(C)C1)[C@@H]1CCCCCC12CC2	2062192330	BVPRIMGZVGSFAH-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063476163	GNSLOIBKMIFPFU-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063517242	RTVXNQGCLMKHMN-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)C=CCC2(CCC2)C1	2063650477	UKVPLHUDVVZZJL-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H]1[C@H](N)CC12CCC(CC1)CC2	2065302281	GBBGUXHMWJKGTF-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068767577	HZBAQINBFVGOJP-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)c1ccccc1CC	2068823406	QVOWPQLVWWRBPD-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@H](CCCC1CC1)c1cc(C)c(C)o1	2068910814	GDQPOTPNUAZRNF-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CC(C)C(C[C@H](N)C1CC(=C2CCC2)C1)C(C)C	2069011802	TYZXQPQWPFMTGW-KRWDZBQOSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C1CCCC1)C1(CC2CC2)CCC1	2069510344	AQYLDDWRSZOONZ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@H](CN2CCC23CCCCCC3)CCCC1	2070395110	LESYVAZOFWDYMR-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CCCNCC1(C[C@@]23CCC[C@@H]2C3)CCCCC1	2070962828	LQVRLZPTDNOHBK-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC1([C@H](N)C[C@@]23CCC[C@@H]2C3)CCCCCCC1	2070964222	UKHWJKHFPAMVCH-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc([C@H](C)NCC[C@H]2C[C@H]2C)cc1	2071481559	YCKUUWCOZZCBIA-KEYYUXOJSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2[C@H]3CCCC[C@H]32)CCC1	2071912460	GCPHMNYMXQYKOP-NHAGDIPZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC12CCC2)C(C)=C(C)C	2072424607	LADXOJOLYVPXBI-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](CNC[C@@]2(C)C=CCCC2)CC1	2072801176	LNXLAFMLWCZXAU-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
C[C@H](C[C@H]1CCNC2(CCCCC2)C1)C1CCC1	2074138572	KZKZKCSUTJBTLD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@]2(CNC3CC3)CCC[C@@H](C)C2)CC1	2074624586	SPFJZJIMIWBZGY-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)c1cc(C)cc(C)c1	2074641608	KODHMTXNVVQRKY-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)C1(C)CC=CC1	2074644019	MHKIWYVJVIFOTB-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCN(C)Cc1ccc(C)c(C)c1	2074922870	PVZCCPPOKSYDKM-UHFFFAOYSA-N	247.426	4.562	0	10	BJAE	
C1=C(CN2CCCC[C@H]2C2CCCCC2)CCC1	2075185272	FIZZUMORTGEPJP-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
CC=C(CC)[C@@H](C[C@H](C)c1ccccc1)NCC	2077197639	SKTGFXAWTKTKMX-WMLDXEAASA-N	245.410	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)c1ccccc1C(C)C	2079645251	PYJUOJJQWXNYKS-CKEIUWERSA-N	245.410	4.636	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2C[C@H]2C2CCCCC2)CCC1	2079837980	DTZWMRJHILLPCB-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)C1(C)CCC2(CC2)CC1	2079842600	OWAGJPQUOPRRFK-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1[C@@H](C)Nc1ccc(F)cc1	2081220650	YTAPZLPZXIJSGB-GFCCVEGCSA-N	243.325	4.561	0	10	BJAE	
CC1(C)CC(C=C2CCCC[C@@H]2N)CC(C)(C)C1	2082985620	IMCJNIVHEHUMNP-HNNXBMFYSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H](N)CCC1CC2(C1)CC1(CCC1)C2	2083613766	QFPZJVAFCJGNDN-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)[C@H](N)CC1CC2(C1)CC1(CCC1)C2	2083617893	SHKTVFSRGHHSLY-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@H]1CC(C)(C)C1(C)C	2084430473	URVZUSDFBIEPPZ-CABCVRRESA-N	249.442	4.632	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2[C@H]3CC[C@@H]2C[C@H](CC)C3)C1	2084510391	IJGRXFPFRCYXQD-OVYGPGRDSA-N	249.442	4.608	0	10	BJAE	
C1=C[C@H]2CC[C@@H](C1)[C@H]2Nc1cccc2ccccc12	2104381552	LOUMWXAGUCKTSJ-DAYGRLMNSA-N	249.357	4.606	0	10	BJAE	
c1ccc2cc(NC3CC(=C4CCC4)C3)ccc2c1	2125287471	XRNLTXVOMBDWPU-UHFFFAOYSA-N	249.357	4.895	0	10	BJAE	
CC(C)(C)C(=O)CCCCCCCC1CC1	2210527922	XZVLNYAHCJQALM-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
Cc1cc(Cl)cc(OCC2CCCCC2)c1	2212533905	VWWQRUVOYYTDEU-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
C[C@H](NC1CC1)[C@H](C)CCCCCCC1CC1	2213576495	QHINGRWIKJWBFF-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
Cc1csc(C(=O)C[C@@H]2CCC23CCC3)c1C	2213642367	QRKNYSOIGYCRQJ-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
NCC1(CCCCC2CC2)CCCCCCC1	2214567109	AEXBDMUDYUPNNO-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC[C@@H]2CC2(C)C)CC1	2215823770	MPQXQDAFQYZGBN-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@H](CCCCCCCC1CC1)[C@@H](C)O	2216861669	WLAVQSMFPFVEQQ-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@H](N)CCCCCCCC1CC1	2216880400	UZPTXEXMWGJDEL-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC)CCCC(C)(C)CC1	2217154143	RATKVVPFVUPEPD-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C1C[C@H]2CCC[C@H](C1)C2	2218345361	DTXOBUKSQJGRKL-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1[C@@H](CCCCCCC2CC2)C[C@H]2CC[C@H]1N2	2218722025	XOKADFZUMIVPQN-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1CC[C@@H]2C[C@H]2C1	2218733199	WGXUQSJCAZCLNG-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(NC2CCC(C3CC3)CC2)c1	2218892571	APHDGPNPKRNJFS-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H]2CCCC(C)(C)C2)CC1	2221640404	LZCWURGWJGHSTO-PBHICJAKSA-N	248.410	4.908	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](N[C@H]2CCC3(CC3)C2)C1	2222257643	KZAQOFVDAMWTJX-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC2CCC2)CC12CCC2	2223551676	ADPJQPKZUFDIFH-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC=C(C)[C@H](NCC)c1ccc(C2CCC2)cc1	2223705025	RELBUOYTRTVOGL-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
Cc1cc(Cl)cc(OCC2=CCCCC2)c1	2243272119	XYEBNGJOLGRXBI-UHFFFAOYSA-N	236.742	4.528	0	10	BJAE	
CCC[C@H](CC)C(=O)CC(C(C)C)C(C)C	2244773841	CSYCAEACFKRNSP-ZDUSSCGKSA-N	226.404	4.700	0	10	BJAE	
CC[C@](CN)(CC[C@H]1CCC[C@H](C)C1)C(C)C	2246659632	JUTVXGIATAQGFV-ARFHVFGLSA-N	239.447	4.604	0	10	BJAE	
CCCCCC[C@@](C)(N)C1CC2(CC(C)C2)C1	2247055908	BDONKXXFVQODTK-MYLOQMAZSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@H](O)CCC1CCCCC1	2247305865	FBMGDGFTAAGBIT-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H]1C[C@H](O)CC1CCCCCC1	2247408408	QWHNBCNHMPXFNQ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC2=CCCCC2)C1	2247505900	AZNDQOTUAYIBMH-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CCCCC[C@@H]1C[C@@H]1C	2248866357	OVBJGFYFJWEZFH-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCCC(=O)C1CCCC1	2248868116	ZKACHPLRCVBKNF-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](C)C[C@H]1CCNc2ccc(F)cc21	2251636386	NPLBJGGPMZHQBX-VXGBXAGGSA-N	235.346	4.551	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)[C@@H]2CCC3(CC3)C2)C1	2253922679	PLOZIMQSCMASKP-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CC2(CCCC2)C1)C1CCCC1	2254112354	KCXQUKXQMJAZEJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@@]1(C)C=CCC1	2255063719	MPSFMGRQKGIPLC-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C[C@@H]1CCCC12CC2	2255222066	CJDQLVYNTHQNAL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCC23CC3)C(=O)C1	2255269302	MBPTVDCPJMGUER-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCC1=CCCCC1)[C@]12CCCC[C@@H]1CC2	2260508799	RKRZWKNRNROFEU-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](C)C[C@@](O)(c1ccccc1)C1CCCC1	2263751611	XMIXJDTWRQWBHZ-WMLDXEAASA-N	246.394	4.501	0	10	BJAE	
CC[C@@](C)(C(=O)CCC1CCCCC1)C(F)F	2299832695	MROOYNQIABXGLK-AWEZNQCLSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)CCC(=O)C(C)(C)C1CCCC1	2300697780	SMAFQMPECITMQR-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@@H](O)CC=C(C)CCCC(C)C	2300865158	KAIIYZLITPQMGJ-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC1CCCCCC1	2301147855	NSOPYFXXCPLLTC-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)[C@H](C)C(C)C)C1	2301688120	HTUNUJBPBNPDTE-QVOMUQBLSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@@H](C)C(C)C)C(C)(C)CC	2301841547	WEOWADWBURIUCS-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
O[C@H](CCCCC1CC1)CCC1=CCCCC1	2301945888	PNFZBILBRBKKPP-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
C[C@H](N(C)CCCC1=CCCCC1)C(C)(C)C	2302354296	PIEFCLFZDAELAN-AWEZNQCLSA-N	237.431	4.633	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)C[C@H]1CCC(C)(C)C1	2302751002	NWHVDCSWRPMWMM-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CC[C@](CN)(CC[C@H]1CCC(C)(C)C1)C(C)C	2304413570	WDLGQKINEMFLPK-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H](CC)C1CCCC1	2307746219	CALSAVQRMKKTAG-HOCLYGCPSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2307746310	CSZGRMKHXCPCNB-QXSJWSMHSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN)CCCC12CCC2	2307907611	MLTWJOXBWYPBOF-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
N[C@H](CC[C@H]1CC[C@@H]2C[C@@H]2C1)CC1CCCCC1	2309146941	YWUWKDOCYGRRJS-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](N[C@H]1CCC[C@@H]2CC[C@H]12)C1CCCC1	2309524485	FUUWHYSLGDWKPA-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]([C@H](C)CC2CCC2)Nc2ccccc21	2313642839	VYQYJSQSVXQJTK-PBFPGSCMSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@@H](c1ccc(C)c(CC)c1)C(C)(C)C	2314703508	XIKJUPCJEYNQTP-INIZCTEOSA-N	247.426	4.644	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)CC)C[C@H]2CC[C@H]1C2	2316489714	HFTZGVZKXCDNAH-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC(=CCN[C@H]1CC12CCCC2)CCCC(C)C	2316498854	HIMLHWYETAPASG-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)C[C@H]2C=C[C@H]1CCC2	2316659707	WDSNNPOIVKJRCX-YLFCFFPRSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316870673	SUNDWQXSFKDAAW-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CC2CCCCCC2)CC1	2316874458	RIHCAFPRTGCFSK-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2)C(C)C	2317142406	FYBUFTUHPNFEJF-LVQVYYBASA-N	248.410	4.620	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@H](C)[C@@H](C)C(C)C)cc1	2317859983	WBOTZYVGODDDJI-JJRVBVJISA-N	247.426	4.738	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@@H]1CC[C@@H]1C	2317905641	XXZCGDNRJBHHHA-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
O=C(CCC1=CCCCC1)CC[C@H]1C[C@@H]1C1CC1	2317938460	JDLLWZHLDIEKCL-DOTOQJQBSA-N	246.394	4.662	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)CCC2(CCC2)C1	2318533411	HJPPFUSDSCUXAA-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CCCC2=CCCCC2)C1	2318584337	ZHRBYJAAOPDJQQ-NVXWUHKLSA-N	249.442	4.812	0	10	BJAE	
Cc1ccc([C@H](O)C[C@@H]2CCC(C)(C)C2)c(C)c1	2319084203	ZPWUOQKNSBXVDC-GOEBONIOSA-N	246.394	4.553	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@@H]2CCC(C)(C)C2)c1	2319290375	FYVVOSXQZWAZBO-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CC[C@@](C)(O)C[C@@H](c1ccccc1)C1CCCC1	2319671913	NJUIKUMREYPTML-DLBZAZTESA-N	246.394	4.512	0	10	BJAE	
CC1=C(C)C[C@H](CNC[C@H]2CCCC[C@@H]2C)CC1	2320412542	OPWGNPAJIZSVQP-USXIJHARSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](CC2CC2)C2CC2)CC1	2320514851	OLYDOMWPFRYYNH-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@H]2CC[C@H](F)C2)c1	2320576416	PLUKLHAAJQAUMD-WFASDCNBSA-N	248.341	4.521	0	10	BJAE	
CCC(C)(C)C[C@@H](O)Cc1cccc(C(C)C)c1	2320624100	RDMPYVVYJXDACX-INIZCTEOSA-N	248.410	4.540	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc([C@@H]2C[C@H]2C)o1	2328274410	QDUDKSGSKDTVCW-RQJABVFESA-N	249.398	4.619	0	10	BJAE	
Cc1ccccc1N[C@H]1C[C@@H](C)CC(C)(C)C1	20551062	BKDFQZCALKGWMV-OCCSQVGLSA-N	231.383	4.622	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc2[nH]ccc2c1	21054529	VXMBPTPVTVAUMI-GXTWGEPZSA-N	244.382	4.795	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@@H]1CC)c1ccccc1	37032184	VVDUOJVLNSOSFL-XIRDDKMYSA-N	245.410	4.696	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)c1ccc(Cl)cc1	50400164	XIFSYOUWZMHXGO-RISCZKNCSA-N	239.790	4.569	0	10	BJAE	
CC[C@H](Nc1ccccc1SC)c1ccco1	54084549	FKIQEISVWCNQFX-NSHDSACASA-N	247.363	4.565	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CCC)NCCC	71085292	KHFMTBWXIBAMOS-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
Cc1ccc(F)c(C2CCCCC2)c1Cl	75841106	OPHLRKWEOUZJOV-UHFFFAOYSA-N	226.722	4.835	0	10	BJAE	
CC(C)c1c[nH]c(=S)n1C1CCCCCC1	82944681	QQFZOFYYTOCRMA-UHFFFAOYSA-N	238.400	4.564	0	10	BJAE	
CCCCOc1ccc(NC[C@H](C)CCC)cc1	83381683	MVPRZHFRDDZAOU-CQSZACIVSA-N	249.398	4.714	0	10	BJAE	
CC(C)C[C@@H]1CN[C@H](CC(C)C)c2ccccc21	84231184	KEHNFZOUUNCIHC-RHSMWYFYSA-N	245.410	4.507	0	10	BJAE	
CC(C)C[C@H]1NC[C@@H](C)c2ccc(C(C)C)cc21	84231245	LLBWOASPHXVSAC-CXAGYDPISA-N	245.410	4.604	0	10	BJAE	
CCCc1ccccc1NC1C[C@@H](C)C[C@@H](C)C1	84464662	YJPZUQPXOFFSRG-MZBDJJRSSA-N	245.410	4.876	0	10	BJAE	
CC[C@H](C)c1ccc(-c2ccc(N)cc2F)cc1	88084783	NFPZRGHOBIAZCM-NSHDSACASA-N	243.325	4.588	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCC1CCCCCC1	89560679	FRHWJXVEUVYXHD-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1ccc(F)c(C)c1	104387938	BQYQIMYZADNYJR-JSGCOSHPSA-N	248.341	4.533	0	10	BJAE	
C/C=C\C[C@H](CC)c1ccc(C)cc1C	107530570	RTDXYPNGVFQKBU-VSKVDJIOSA-N	202.341	4.763	0	10	BJAE	
CCC1CCC(CN[C@@H](CC)c2ccco2)CC1	109917298	LOAGYGLEIXAGGR-NRXISQOPSA-N	249.398	4.537	0	10	BJAE	
C[C@H](NC1CCC(C(C)(C)C)CC1)C(C)(C)C	122626437	PINUDDYTTKDMQM-HSBZDZAISA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC(CC)CC)CC1	124840871	YOQSTJAPDBDUKE-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCC[C@H](C(C)C)CC1	148001084	ZLFHZDLXPKUALB-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCC(C)(C)C[C@H]1C	155834320	HLQUAUXEGKPKQB-UKRRQHHQSA-N	231.383	4.622	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)C1CCCCCC1	157257049	HVPZSZNVRKHILD-IAGOWNOFSA-N	246.394	4.512	0	10	BJAE	
CNC(CC1CCCCC1)CC1CCCCC1	160980228	DDBFMGVMANMJGH-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)c1ccccc1CC	162385467	BCCHDKQDUOURDR-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C1(CC)CCCC1	162486783	GRBNVQWVYHNCSP-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@@H](CC[C@@H](N)c2ccccc2)CC[C@H]1C	221310542	RDMDPRVUEXAJEB-JYYAWHABSA-N	245.410	4.539	0	10	BJAE	
CC(C)(C)c1cccc(Cl)c1C(C)(C)C	224803077	SQNXDXJQZPQRHL-UHFFFAOYSA-N	224.775	4.935	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@@H](CC)[C@@H]1C	225204704	OVRSDWGQKIMRRN-ARKGTOAJSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H]1CCCC1(C)C	226879741	FZEKYXPBNCZDON-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)(C)C)[C@@H](C)CC	228811843	ZWHJNKXYQWBZND-XJKSGUPXSA-N	247.426	4.681	0	10	BJAE	
CN[C@H](CCC1CCCC1)C1CCCCCC1	229148179	CLSFQCRVKGFDMT-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@]1(N)CCC[C@@H](CC(C)C)C1	230788341	BDKDOBRCWXEPSD-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2c(C)cccc2C)C1	233915553	YCCCSJANHCNRFA-HUUCEWRRSA-N	244.378	4.703	0	10	BJAE	
CCCC[C@@H](C)c1c[nH]c2ccc(F)cc12	238255179	MADOCFQVLKGWBE-SNVBAGLBSA-N	219.303	4.601	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CC[C@@H](C)c2ccccc21	252723297	TWWKIXOQPHNGGB-LOUJCGABSA-N	245.410	4.649	0	10	BJAE	
Fc1ccc2c(c1)NCC[C@@H]2C1CCCCCC1	258131112	YNBDZSHLYGOUCJ-CQSZACIVSA-N	247.357	4.695	0	10	BJAE	
CC(C)(C)c1ccc(-c2nc(CF)cs2)cc1	260553000	OSJBHAAACOXDTM-UHFFFAOYSA-N	249.354	4.577	0	10	BJAE	
CNC[C@H]1CCCCC[C@@H]1CCCC(C)(C)C	302263636	FRNBQNQEJGTOQA-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CC[C@H](C)CC(C)C)C1CCCC1	305908557	DPAJWNZNOAOXGF-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(C)c1NC[C@@H](C)CC(C)C	305916477	GWJBLGPUIYFXFZ-ZDUSSCGKSA-N	233.399	4.652	0	10	BJAE	
CSc1c(C)c(Cl)cc2sccc12	306784267	RUSPVXKHASDAPS-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CSc1ccc(S)c2scc(Cl)c12	307130142	QWXGCBQLXPOGHL-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C1CCCCCC1	308037935	WSONTSYINWFFHP-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H]([C@H](CCC)CC(C)C)C(C)(C)C	308052549	NDZFUNXEKRUBOI-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
Cc1c(Cl)cccc1NCC1(C)CCCC1	309299549	XUVQXWGSTMYQIJ-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC2(CC)CCC2)C1	310113581	GIGVIXYWRKQEBX-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C(=O)c2ccc([C@H](C)CC)cc2)CC1	310964998	USQXZHIEXBAMHR-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CCC[C@@H](C)CN[C@@H]1CCCC12CCCCC2	313062229	ZGHIAEJIMGWQJQ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@]1(CNC(C)C)CC=CCC1	316945869	BQTRMSHKHKEXRR-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CNC)CCC[C@@H]1C	317430500	QFSJOHYLEWNBHU-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)[C@H](C)[C@H](C)CC	318870708	LANMELQHNDUKAY-INMHGKMJSA-N	247.426	4.718	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](NC)c1c(C)cc(C)cc1C	320006155	HMGMUFBFIKKUHU-YLQAJVPDSA-N	247.426	4.555	0	10	BJAE	
CCCCCC[C@H](N)CC/C=C\c1ccccc1	324099989	CKGCDYNEMVUVPP-GQPJMJRUSA-N	245.410	4.778	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CCC(C)(C)C	383145150	GIZIXELIXMDBAU-CQSZACIVSA-N	228.420	4.780	0	10	BJAE	
CC[C@@H](N[C@H](C)CC(C)(C)C)c1cccc(C)c1	384446050	HXBYRAUYNJRACQ-GDBMZVCRSA-N	247.426	4.860	0	10	BJAE	
CCCOc1ccccc1N[C@H](C)CC(C)(C)C	384742778	LOSYGRCQKXKLBU-CYBMUJFWSA-N	249.398	4.712	0	10	BJAE	
c1cc(NC2CCCCC2)c2sccc2c1	386226719	LFJBDSJIQNKYOA-UHFFFAOYSA-N	231.364	4.646	0	10	BJAE	
CC(C)CC[C@H](N[C@@H]1CC12CCCCC2)C1CC1	387285463	NLMRXYSQPJZLHY-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@H]2C[C@@H]2CC)cc1	387820592	RREOXJKAQRCXHH-PYTWLRIVSA-N	245.410	4.507	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](NC)C2=CCCCCC2)CC1	393358211	QYEPICMUIQZKRI-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@](O)(CC)CC1CCC(C)(C)CC1	393799001	NJKZYJFNKVQPDP-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)CCC1CC1	395562321	MMCVCLOFOLKHQE-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](Nc2ccsc2Cl)C1	395662021	YZTBWLNFFHTASJ-MYJAWHEDSA-N	243.803	4.638	0	10	BJAE	
CNCC1(C[C@@H]2CC=CCC2)CCCCCCC1	402160632	RRBWQUWWJLOVIA-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc2ccn(CCC(C)(C)C3CC3)c2c1	406064582	MIZINSKORPBGMA-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
C[C@@H]1CCCc2[nH]c3ccc(C(C)(C)C)cc3c21	527397301	ZFUBZVUZCRYHCM-LLVKDONJSA-N	241.378	4.905	0	10	BJAE	
CCCN[C@@H](C)CCCC(C)(C)c1ccccc1	686728997	QVWLJEJMDSSDRW-HNNXBMFYSA-N	247.426	4.523	0	10	BJAE	
CCSc1cccc(N[C@H](C)[C@@H]2CC2(C)C)c1	689684219	GFEBFBGBDYBLGE-RISCZKNCSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCC[C@H]1CC	691161704	BJYQDDNQHMANSW-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
C1CCC(CCCN[C@H]2CCC23CCCC3)CC1	693902088	XSBMHLZXCQYCIK-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CCC[C@H](NCC2CCC3(CC2)CC3)CC1	695701256	SJWMZTRJUNQUCU-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC(C)(C)C(C)(F)F	697096865	LEEJMRLSMYMIKU-LBPRGKRZSA-N	249.389	4.602	0	10	BJAE	
CC(C)=CCC[C@]1(CNC(C)C)CCC[C@H]1C	698055356	RQPSZTMPYDFBPG-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	699049283	GYJQYNRZMJEPDC-IXYNUQLISA-N	240.431	4.636	0	10	BJAE	
CCCc1ccccc1OC1C[C@@H](C)C[C@H](C)C1	699505908	IDRLMIQBHJXVJC-KBPBESRZSA-N	246.394	4.843	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H]1C[C@@H]1C(C)(C)C	699804569	XXWFVADUQBBBMC-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)C1(O)CCC(C2CCC2)CC1	701100236	LJCPNKBCBOPRKF-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)C1CCCCCC1	704955227	BWLNFELGTNVICQ-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](NC[C@H]1CCCC12CC2)C1CCCC1	706297827	ZLQUYANRNCPWTL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@@](C)(O)C[C@@H](C)CC(C)(C)C	709072216	YUHGXOUMGYOBAC-GUYCJALGSA-N	248.410	4.665	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@@H](C)c1ccccc1	709116708	GRTPKOKCGAQPIV-ZIAGYGMSSA-N	246.394	4.822	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCC12CCCCC2)C(C)(C)C	710753526	MYONPFKWERRXPV-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CNC[C@H](CCCC(C)C)C1CCCCCC1	711313317	PVHBWXPOZYCUOW-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CCNc1cccc(C)c1Cl	711323324	WKSYIIZOEAAPET-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)c1cscc1Cl	713127358	HBNQHCZDJDALMA-LLVKDONJSA-N	246.803	4.507	0	10	BJAE	
CCC(C)(C)C[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C	713171520	XHBGVGGPWKVWKU-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C\CCC1(CNC)CCC(CCC)CC1	713694075	IMCWHFZXIMEWCP-SREVYHEPSA-N	249.442	4.705	0	10	BJAE	
CCCC(CCC)N[C@H]1CC(C)(C)CC[C@@H]1C	717531524	INRUTHNMKSTVEX-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CC(C)(C)CC[C@@H]1C	717535617	VBQTXAABTRBVCH-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H]1C[C@H]2CC[C@H]1C2	718531938	YHHPGIFSCSIMFB-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@@]1(CCC(C)=C(C)C)CCC[C@@H]1C	718747816	MKMZBVDYUJZIIF-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)NCC1(C[C@H]2CC23CC3)CCCCC1	722891378	ZIPBEOQWVNTNDE-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
c1ccc2oc(SCCCC3CCC3)nc2c1	1164564757	MOWUYOKMRDXCPE-UHFFFAOYSA-N	247.363	4.500	0	10	BJAE	
CCCC[C@H](N[C@@H](C)CCC(C)C)C1CCC1	1181533727	AXFJLDLDXYSTNX-HOCLYGCPSA-N	239.447	4.760	0	10	BJAE	
CCC1(CNC[C@@H]2C(C)=CCC[C@@H]2C)CCCC1	1650771642	PNZFWBSYIVYPIN-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](Sc2ccc(F)cc2F)C1	1656172720	CIYOADXYCDLJLD-KOLCDFICSA-N	242.334	4.636	0	10	BJAE	
CCCC[C@@H](CC)NC[C@H]1CCC=CCCC1	1665881593	ZVTCUJOLKPGGQA-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCCCC[C@H]1N	1900695527	GYDSOWXUSYKQFC-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC=C(C)CC	1900844321	COXSHKGNLDCXQW-CQSZACIVSA-N	224.388	4.908	0	10	BJAE	
CCCCC(=O)CC[C@@H]1CC[C@@H]1C(C)(C)C	1902739962	QQKQSEKZJGZSBR-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C(C)(C)C(C)(C)C	1905447725	XMTKYSWNBGUYAP-CHWSQXEVSA-N	228.420	4.636	0	10	BJAE	
c1cn(CC2CCCCC2)c(C2CCCCC2)n1	1923569274	VMPTYPQQJWZNRI-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
CCCNC[C@@](C)(C[C@H](C)CC)C1CCCC1	1924091930	JZIQEMDSRZRSSB-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)c1ccc(Cl)cc1	1925768490	IWQWCPNTDANCIH-GFCCVEGCSA-N	248.753	4.659	0	10	BJAE	
CCC(CC)CCNc1ccc(C)c(C)c1	1926200687	GFGNDTRMTSKNAL-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CCC(CC)C[C@H](C[C@@H]1C=CCCCC1)NC	1926387293	OQMPMZYKOFVDKE-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCCC1)C1(C)CC1	1940407131	IJIKSWJPSMTNKS-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)CCC[C@H]1CC1(C)C	1940880384	ILEQTMHVRIASLY-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CCCc1ccccc1CNc1csc(C)c1	1940935570	MZTYAKLOIYEZCM-UHFFFAOYSA-N	245.391	4.621	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)[C@@H]1CCCC[C@@H]1CC	1941249917	CMAIABMLKBYMMH-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CC[C@@H](O)[C@@H](CCCCCC2CC2)C1	1941580534	AZCCPLQTLONRJT-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1CCC=CCC1	1941791857	RACHTRWMOVQISC-HNNXBMFYSA-N	236.399	4.908	0	10	BJAE	
CC[C@@H](C)[C@@]1(CNC(C)(C)C)CCCC1(C)C	1944476001	RZMJGEBZHJUFFS-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC1C[C@H](C)C[C@@H](C)C1	1944647066	RPUCTNKZXJVRBM-CHWSQXEVSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]([C@@H](O)c1cccc2sccc12)C(C)(C)C	1945956899	GOEMBQIXFGTDNA-IINYFYTJSA-N	248.391	4.617	0	10	BJAE	
Clc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)cc1	1946346806	ZXLTYVYVNZIKRH-NILFDRSVSA-N	249.785	4.721	0	10	BJAE	
CCC1(C)CC(N[C@H]2CCCCCC2(C)C)C1	1948392442	MTBHDKVOJHAEHP-BBBYJDLNSA-N	237.431	4.514	0	10	BJAE	
CCCC1([C@@H](N)C2CCC(CC)CC2)CCC1	1948934257	WVUNYJKJCIINQN-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](n2ccc3c(F)cccc32)C1	1949492391	CGHCVAWLDAMUBT-LLVKDONJSA-N	231.314	4.532	0	10	BJAE	
CC1(C)CC[C@H](CCC2CCCCC2)CC1=O	1949657310	ZUJJBQRZMOLIFA-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H]1C[C@@H](C(C)(CC)CC)CCC1(C)C	1949663504	XEHBPZPQYUFYCT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC(=O)[C@H]2CCC[C@@H](C)CC2)CCC1	1950929275	GDXDQIBPXHOWKR-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC=CCCc1c(C)cc(OCC)c(C)c1C	1951308200	BJLCORDCKVPDDV-UHFFFAOYSA-N	232.367	4.519	0	10	BJAE	
CC(C)c1nc([C@@H]2CCC[C@H](C)C2)cs1	1961018396	JLGSOQVOCCWQJE-WDEREUQCSA-N	223.385	4.560	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CCCC[C@@H]3C2)C1	1966045848	LAXDDIDGDHENBH-FIDHJVLJSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H]1CN[C@@H]1CCCCC12CCC2	1967702726	HLLRNHSNPKLSQC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NCC2CC(C(C)(C)C)C2)c(C)c1	1968254128	BMYPTMWLCBQUDO-UHFFFAOYSA-N	245.410	4.788	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC3(CCC3)C2)c(F)c1	1968326657	LMWASNCMFGPDTG-CYBMUJFWSA-N	247.357	4.659	0	10	BJAE	
C[C@H]1C[C@H]1c1csc(-c2ccccc2Cl)n1	1968646308	XAZCSSWWJFHATE-WCBMZHEXSA-N	249.766	4.587	0	10	BJAE	
CC[C@H](NC[C@@H]1CCC2(CC2)C1)C1CCCCC1	1969164692	GPNARJWSMHVSAT-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)CN[C@]1(C)CCCC[C@@H]1C	1970248905	ALXHBYLMHQABKT-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H]2CCC[C@@H]2C1	1970682030	ZAEXLSMVJGSYDD-HHARLNAUSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](Nc1cccc(C2CCC2)c1)C1(C)CCC1	1971532660	HNUYHTVNQWKMPZ-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
C1CCC2(CC1)CCCCN2CCC1CCCC1	1972910363	BHSBKYBIQXHUNH-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CC1(CCC)CCC1	1988456627	DISIBPUIIPIDMG-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](CC)NCc1cc(C)cs1	1990099739	MGNVRKMTYDAMRX-CYBMUJFWSA-N	239.428	4.505	0	10	BJAE	
CCC[C@@H](N)CCC[C@H]1CCCC(C)(C)C1	1994025559	IHAMSIXYFPPCRT-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)[C@H](C)C2CCCCC2)C1	1996234960	HTNMJKUMDYQZKL-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C[C@@]1(N)CCCC2(CCCCC2)C1	1996646542	DTBVGNRTDPUHPY-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H](CC)C(C)C)CC1	1997100015	KVHSSZJKSQWIOA-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2CC(C)(C)C2)CC1	1997107097	ZXPNEBIMBOOZBJ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
C=CC=CCCC(=O)[C@H]1CCC[C@H](CC)CC1	1997117468	RAIXTBGKTKUIGN-GJZGRUSLSA-N	234.383	4.684	0	10	BJAE	
CCCC[C@H](CC)CN[C@]1(C)CCCC1(C)C	1997340620	HWILFRAVJJPYBY-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCCC1CC1)CC1(C)CCCC1	2000383143	VIBRTZNYYWRJHW-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@](C)(CCC1=CCCCC1)CNCC	2000521432	UYHRYRHRAWHLOX-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CCCCCC(CCCCC)NCC(C)(C)F	2001393200	WZOWRQKJVFXQBV-UHFFFAOYSA-N	245.426	4.853	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@](C)(N)C2CCCCC2)C1	2002921376	NRRIZPUYKNQADQ-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(N)[C@H]1CCC[C@@H](C)C1	2003020381	OAYKPJBYZNRXBS-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CC1(C[C@@H](O)[C@H]2CC[C@H](C)CC2)CCCCC1	2003103248	IHYCOLBDJMDEOR-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@](C)(O)C[C@@H]1CCCC2(CC2)C1	2003193707	ZUWSCESJJQZHOC-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1CCCC[C@@H]1C	2004228489	PJDGHBGLEKXRFU-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCC(C=C(CN)C1CCCCC1)CCC	2004725571	QFEZTIGOBHMGSO-UHFFFAOYSA-N	237.431	4.668	0	10	BJAE	
CCC[C@H](N[C@@H](C)C1(C)CCC1)C1CCCC1	2004822417	NTPOBZCYRALXKA-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)C(=O)C1CC(C2CCC2)C1	2008403142	OFAJXFGYGIGVAY-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H]1CCC(C)(C)CC[C@H]1CC=C(C)C	2009412698	ZRPVIJDGYCIHOW-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@](C)(N)C1CCC(CC)CC1	2009569195	MJDKRQYBQAXTRQ-HBSNNGBZSA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@H](CC1CC(C)(C)C1)NCC	2009616905	NHKQBGQWOVHQRB-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@](C)(CCC)CNCC(C)C	2009628487	OFAVSNWJPXBWIP-IQIBNGDESA-N	239.447	4.785	0	10	BJAE	
CCCC(CCC)[C@H](N)C1=CC[C@@H](CC)CC1	2010737761	KPAQZGUYYBWYLW-CJNGLKHVSA-N	237.431	4.667	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H](C)C1(C)CCCC1	2014338500	OWPFNTPFDBDTTR-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)C1(C)CCCCCCC1	2015278514	OUTRKMGFVXZXMQ-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC1CC(CC(=O)CCC(C(C)C)C(C)C)C1	2015391044	USYNNYMIBSZQHF-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@@H](O)C2CC(C)(CC)C2)CCC1	2015632148	JJBFINDIKWLVQM-SHARSMKWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)CC(C)(C)CC)CC1	2017663641	WWJORGQVIIIAGX-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@H](C)C1CCCCC1	2017701146	GBYQTWPZRSLTSL-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC)CC[C@H]1CC[C@H](CC)CC1	2017720068	DXYXAJXIBUKLTA-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)NCC1(C2CC2)CCC1	2018129121	ARYOSAVTUIMRRV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCCC(C)(C)C2)CC1	2018926287	ZBTYSIZPKFUAJM-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CC1(CCC)CC1	2018993692	HBIGDFOZOLVIKB-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCCCCCN1CC[C@@H]1C1CCCCCC1	2019291341	PGADJEBDLOXMDS-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CN[C@H](C[C@@H]1CCCC(C)(C)C1)CC(C)(C)C	2024094101	HOPDQKRFKNKXCW-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NCC)c1ccccc1C	2028250814	AQQASUSLVPNABA-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CCCN[C@H](C=Cc1ccccc1)[C@@H](C)CCC	2028584384	UUINZAGNGJRQBF-DOTOQJQBSA-N	245.410	4.504	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccccc1CC(C)C	2028928379	WFGYTEYYPQRITJ-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC2C[C@@H]3CC[C@H]3C2)CC1	2028982778	ZXKGLGPADJIYGW-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2030232096	XWHCGLFYHMHRMC-HZMVEIRTSA-N	249.442	4.559	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccc(C2(C)CC2)cc1	2032242001	BXMJFIZPGRRLJV-CJNGLKHVSA-N	243.394	4.729	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC1(N)CCC2(CCCC2)CC1	2032504583	BXCFBQMCAZBJOW-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c2c(c1)N[C@@](C)([C@@H](C)CC(C)C)O2	2036375658	QSXAKJVTADPDGG-XJKSGUPXSA-N	247.382	4.506	0	10	BJAE	
CCC1(C[C@@]2(N)C[C@@H]3CCCCC[C@@H]3C2)CCC1	2037105564	NBXCCAVWSALDSX-QLPKVWCKSA-N	249.442	4.645	0	10	BJAE	
NC1(C[C@H]2CC=CCC2)CCC2(CCCC2)CC1	2037165917	IEPUEQOHZYPUCQ-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CCC2=CCCCC2)C1	2037171790	OEMPCHVFXBMUPZ-RRQGHBQHSA-N	247.426	4.587	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1CC1CC(C)(C)C1	2037225908	KEVQDIFVSGBKNB-DOMZBBRYSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1C=CCCCC1	2037273143	MZXCOHFGMDERQO-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCCCN([C@H]2CCC3(CCCC3)C2)C1	2037674844	IFJLVGRMJAWWMQ-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(F)ccc1C(=O)[C@H]1CCC[C@@H](C)CC1	2039379030	ZASDVNDXENOZBT-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
Cc1cc(N[C@@H](C)C23CCC(CC2)C3)ccc1F	2039866420	YJBXIEBLOLTDOZ-FUJMWEONSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(N)CCCC3(CCC3)C2)C1	2041289127	GAFQZWLIUMNGCY-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C1=CCCC1)[C@@H]1CCC[C@H](CC)CC1	2041380782	VIZISEXCMMUCTF-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC(=O)[C@]1(C)CC=CCC1)C1CCCCC1	2042087910	XYFOWMACZAKQFT-WMLDXEAASA-N	248.410	4.908	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CCC=CCCC2)CC1(C)C	2045326389	MUGQJDZQTLPEGY-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)[C@H]2CCC23CCCCC3)C1	2045520424	OQHQRYYFUXGGDX-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@H]2CC23CCCCC3)[C@@H](C)C1	2047060935	BEHMNGGNCFTELZ-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1	2047339929	IDHAQTOPTJBLHI-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC(C)(CC[C@@H](N)C[C@@H]1CCC12CCC2)C1CC1	2047940103	SDFGCJIDDUALRP-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C1CCCC1)N(C)[C@@H]1CCC2(CCCC2)C1	2049430673	JPFNQYZMZXXFII-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@@H]1[C@H]2CCCCC[C@H]21	2049704318	MFEZKDXQJVDXAL-WCVJEAGWSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](C[C@H]1CC12CCCC2)CC1(C)CCCC1	2049805359	XXZGFWOLUDZQOZ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)CC1CCC2(CC1)CC2	2049852826	CQZCAOGKHGFMFD-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(NC2C3CCCC2CCC3)c(F)c1	2050042620	QGQNNKJCOVTRRG-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]1N1CCCC2(CCCCC2)CC1	2055267603	ADKZQZHDSPAYPL-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)C2(C)CCC3(CC3)CC2)C1	2056552799	NICMNDJRRDAYEA-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
NC1CCC2(CC1)CC(CCC1CCCCC1)C2	2056616518	HDNGYZRMSUMJGK-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)C1(C2CC2)CCCC1	2057602801	ZKNUTSXLPSFSRJ-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CCCC2(CC2)C1	2059261122	BXWJJXHAJLZFAW-TVKHYIBRSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C(C2(O)CC3(CCCCC3)C2)CC1	2061086490	ZDDUZMZCSOIHNQ-AWEZNQCLSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@@H](N)C2=CC[C@H](C(C)C)CC2)CCCC1	2061151999	XCDCKMBOFUSYLF-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)CC[C@]12CCC[C@@H]1C2	2061570424	CPGKBADTRZPZFI-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@@H]1CCCCCC12CC2	2062015871	BSRKITKUJHLHJD-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
O=C(CCC1CCCCC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063501824	RTVXNQGCLMKHMN-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(N)CC2(C1)CC21CCC1	2064009631	AKYBNSDSZORNSO-IGEOTXOUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC1CCC2(CCCCCC2)CC1)C1CC1	2065893004	SSEDIEOXLUARHL-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CC=C[C@@H](C)NC1CCC2(CCCCCC2)CC1	2065895481	WGMYXIGCDBTOHI-OAHLLOKOSA-N	249.442	4.824	0	10	BJAE	
CC(C)Cc1ccc([C@H](N)C[C@H](C)C(C)C)cc1	2069008871	PZFHLSPPWYYLMI-WMLDXEAASA-N	247.426	4.567	0	10	BJAE	
CC(C)C1CCC(C(=O)C[C@]23CCC[C@@H]2C3)CC1	2070921508	JQJYAGKCPNVWRJ-OCUYMYNFSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C(=O)CC2(C(C)(C)C)CCC2)c(C)o1	2071926975	VQZXJLAUOSEAAB-UHFFFAOYSA-N	248.366	4.686	0	10	BJAE	
Cc1ccc(F)c(C(=O)C2(C(C)(C)C)CCC2)c1	2071927209	XZHCTSXLBKLXFT-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)C1([C@@H](N)CCC2=CCCCC2)CCC1	2071937258	YWGNDACZEKDULY-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)C2(CC3CC3)CC2)CCC1	2071952552	DRWGSUFFLSTJND-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@H](NC)[C@@H]2CC=CCC2)CC1	2072808364	FYFZXWLYCUJENJ-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](N)(C[C@]12CCCC[C@@H]1C2)C1CCCC1	2074026069	RVJHCAVLWSPMIW-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@@H](C)C1(C)CCCC1	2074779597	FRLUELFLKOCNQW-GJZGRUSLSA-N	245.410	4.648	0	10	BJAE	
CCCN[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CCC(C)=C(C)C	2076510649	XAIOQKRPDSQSFZ-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@H]2C[C@](C)(F)C2)cc1	2077733802	RKTXYYMMYHSWKB-YGUOUDRMSA-N	249.373	4.534	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@H]2C[C@@H]2C2CCC2)CC1	2079329331	RBQLBKABQBYXNS-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1ccc(C2(C)CC2)cc1	2079650255	JIIOFVKYANNJOS-KGLIPLIRSA-N	243.394	4.586	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCC2)CCCC(C)(C)C1	2081681674	CARWGKZYJVQZLQ-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)c2[nH]c([C@@]34CCCC[C@@H]3C4)cc2c1	2083310294	XKVSAWMYUUSEOX-RHSMWYFYSA-N	239.362	4.616	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCCCC1CC1	2211122430	VSFSLHNOGNNWDM-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)CCCCC1CC1	2214568928	KJKHXORJUJNWOJ-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)CCCCC1CC1	2214573537	NQNLVYKFYAATPM-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCC[C@@H](N)C1CCCCC1	2214775113	ICUPLKLKBNQBJL-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC1=CC[C@@](CNC(C)C)(CC(C)(C)C)CC1	2215831843	DUYVRFFLLKGKAV-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)C(C)(C)CCC	2216286149	RRDPTYYMEVXZDO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)NC[C@@H](C(C)C)C1CCCCCC1	2217144616	HKBZUDXRAZRXQX-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
O=C(CCCCCCC1CC1)C[C@@H]1C[C@@H]1C1CC1	2218733930	YZUURFQFJBMSPE-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](NC1CCC(C2CC2)CC1)C1CCCC1	2218892598	AWOKAPNXEQQTCZ-BDVYOWHSSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1NCC1=CCCCCCCC1CC1	2223111933	XRYGUUMOWHJSKK-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CCCC12CNC2	2223130448	MUBGJBDLOPBGKS-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
COC12CCC(CCC3CC(=C4CC4)C3)(CC1)C2	2223628390	YQMWSSWBTYGGLN-UHFFFAOYSA-N	246.394	4.616	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)c1ccc2occc2c1	2224153620	PXHHZNKTNGADPD-LRDDRELGSA-N	245.366	4.505	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)C(C)(C)C	2244839793	BFPFFKWKXFXYEJ-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
CC1CC(C)(C[C@@]2(O)CCCCCC2(C)C)C1	2246446993	HEZCLKCAYYVCDM-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)CC[C@@H]1CCC[C@@H](C)C1	2246724280	DGGLWRKVHWLZQL-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CCN(C)CCCC[C@@H]1C[C@@H]1C	2247166176	OTHDQLVSNFGCDZ-GOEBONIOSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@H](CCC(C)(F)F)[C@@H](CC)CCC	2250358537	NKAOGMCPXKFNFZ-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCC1CCCCC1)NC	2250366668	MSEXMZOHZLWYFY-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC1([C@@H](N)CC[C@H](C)CCCC(C)C)CC1	2250478897	NLBPGGACSPFPQI-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
Cc1scc(C(=O)[C@]23CCCC[C@H]2CC3)c1C	2251108334	UBVCBNLOWZNCKA-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CCCN[C@H](CCC1CC(C)C1)C(C)=C(C)C	2251752360	YPIWMTXYKBAIHX-AVVWSFFYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccc2ccsc2c1	2253062705	RVYIJMQOCLZLDY-XHDPSFHLSA-N	248.391	4.761	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1ccc2ccsc2c1	2253129635	NGNMNFHZSBDXBG-WCQYABFASA-N	244.359	4.520	0	10	BJAE	
CC1(C)C[C@H](CC[C@H]2CCCCC23CC3)CCN1	2253887519	XCTPKRLFLLLESP-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(NCC2CC3(CCCC3)C2)CCC1	2254081850	HCDCXWFFJCLSND-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC[C@@H]1C[C@H]1C)[C@]1(C)C=CCCC1	2254536654	SADKUCYVOFBYFZ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC1(C)C)[C@H]1C=CCCC1	2254972535	KWCUVWPKVVAHLL-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CCCC23CC3)cc1C	2255305055	VNQJFBRKHLMRKW-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
Cc1ccc(N(C)CCCCC[C@H]2C[C@@H]2C)cc1	2257291534	QJNVZSBTFAOKAU-HOTGVXAUSA-N	245.410	4.648	0	10	BJAE	
Cc1cccc(NCCCCC[C@@H]2C[C@H]2C)c1F	2257342699	UUYQPTQFRRRKFS-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1cc(C2CC2)ccc1F	2259126236	MBEAVTIJSUCPNV-NHYWBVRUSA-N	247.357	4.694	0	10	BJAE	
CC1(C)CCC[C@]1(C)NC[C@@]12CCCC[C@@H]1CC2	2260624742	OYTACVBDUVQPDY-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H]([C@@H]2C=CCCCC2)C1=O	2261451914	WMJGGWCQHLSSSZ-KGLIPLIRSA-N	248.410	4.764	0	10	BJAE	
CCC(C)(C)[C@](O)(c1ccccc1)C1CCCC1	2263749796	IJEHJNAHKKVPIX-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@@H](C)CC1CCC1	2298929757	CISPIFRTSVLJMT-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCCC[C@H]1CC	2300683623	LQBZSPYJNDPELC-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CCC1(O)CCC2(CCC2)CC1	2300683704	MLTAGSMQONNOEQ-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC=CC[C@@H](NCCC)C1CCC(CC)CC1	2300871067	BJLCRKGZDVLWSK-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](N)C(C)(C)C1CCCCC1	2300879957	KBEVAYRTDPQUII-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
CC(=CCC(=O)[C@@H](C)C1CC1)CCCC(C)C	2300920742	JMNOFKNJCNLFLM-AWEZNQCLSA-N	236.399	4.764	0	10	BJAE	
CC[C@@H]1C[C@@H](O)C[C@H](CC2CCCCCC2)C1	2301237899	AVFJTYWGIRZCER-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CC([C@@H](N)CC2CCCCCC2)C1	2301243123	ZBZZVKLLUFYJRO-PCKAHOCUSA-N	237.431	4.501	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@@H](C)C(C)C)cc1C	2301963007	XYPBTVBVOYMXHR-UONOGXRCSA-N	233.399	4.650	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2CCC(C)(C)C2)C1	2302748310	MHFGGCMPOGDEAG-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](C)CC(C)(C)C)c1	2304021330	HDQSPZRMBBDSJY-NSHDSACASA-N	237.362	4.625	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC[C@H]1CCC(C)(C)C1	2304433264	AEVZAOPDBOMYSM-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC[C@@H]1CNC(C)C	2307827318	WVJZSBFFGKFGQI-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CNCC(C)C)C[C@H](CC)CCC	2307833161	ZEGOSVLISFIOCX-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(O)CCCCCC1(C)C	2307835185	OMBWVVZTIKWBOS-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CC[C@@H]2CCCC[C@@H]21	2307840013	CPVITEUETYTQGG-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)[C@@H]1CC1(C)C	2307900336	FQDONOBSSVHVJV-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1C[C@@H]2CC[C@H]1C2	2312943512	AUOMDVDXRGBOJH-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@@](CN)(C[C@@]23CCCC[C@@H]2CC3)C1	2313344760	XKEHANNVBVQZLG-YVSFHVDLSA-N	249.442	4.502	0	10	BJAE	
CC1CC(CNC2CC2)(CC2CCCCCC2)C1	2316936284	AYCHIRDOGDUMGF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C(=O)[C@H](C)[C@H](C)C(C)C)c1ccccc1	2317911207	JUNQZRDEVHVYJP-FMKPAKJESA-N	246.394	4.678	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@@H]2CC[C@H]21	2317922123	FZVRWRJUPSBTHF-NILFDRSVSA-N	247.357	4.550	0	10	BJAE	
CCc1ccc([C@@H](O)CCCC2=CCCCC2)o1	2318537368	FBSVVEDLHHVISI-HNNXBMFYSA-N	248.366	4.546	0	10	BJAE	
N[C@@](CCCC1=CCCCC1)(C1CCC1)C1CC1	2318542079	VWWYKZRJCIUWKC-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
COc1ccc(CCCCC2=CCCCC2)cc1	2318568159	INOSEXQBSINJNX-UHFFFAOYSA-N	244.378	4.908	0	10	BJAE	
C1CCCC(CN[C@@H]2CCCC[C@H]3C[C@H]32)CCC1	2319436942	AMHVFBBGQXKHHZ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1CC[C@@H]1C1CC1	2319581330	PFFRKLIGSLTDSW-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CCNC[C@]1(CC2CCCC2)CCC(C)=C(C)C1	2320263904	RCFQUJLZIMFBPM-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCCCc1ccc(C(=O)C[C@H]2C[C@@H]2CC)o1	2320363926	LUQBEWKBNVXSCN-QWHCGFSZSA-N	248.366	4.631	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)c2ccccc2C)CC1	2320399710	SYZIMRFBEVTNKY-OAHLLOKOSA-N	242.362	4.704	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1CCC[C@@H]1C	2320411840	GIYXTNDKVATQRK-PQEBFOHHSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@@H](C)[C@@H](C)C(C)C)c1	2320526128	WFNFPTMQSUAJHK-GRDNDAEWSA-N	247.426	4.738	0	10	BJAE	
CCC(C)(C)CN(C)Cc1cccc(C(C)C)c1	2320639036	QSJHCWLXAYWBCG-UHFFFAOYSA-N	247.426	4.678	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)C2(C3CCC3)CC2)C1	2321633591	LEMLHDCRAHEDIS-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cc(C)ccc1OC	19232543	ZSOYMVQGHGCCKT-GXTWGEPZSA-N	249.398	4.630	0	10	BJAE	
c1ccc(N[C@H]2CCCCc3ccccc32)cc1	21800650	FWYSNPVDKQBLND-KRWDZBQOSA-N	237.346	4.566	0	10	BJAE	
Cc1cc(N)ccc1-c1ccc(C(C)(C)C)cc1	21950512	MVGPGIJQIGJNDM-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CCCCCC[C@@H](C)NCc1ccc(C)c(C)c1	34991470	UAAROVCPKOSEOD-MRXNPFEDSA-N	247.426	4.752	0	10	BJAE	
CCCCCC[C@H](C)NCc1ccc(C)c(C)c1	34991471	UAAROVCPKOSEOD-INIZCTEOSA-N	247.426	4.752	0	10	BJAE	
CCCCC[C@H](NCCC)c1ccc(C)cc1C	35579503	YCYQXEZXHVIZEW-KRWDZBQOSA-N	247.426	4.924	0	10	BJAE	
CCc1cc(Cl)c2cccc(C(C)C)c2n1	36913036	CRLHYHXWCBAGIY-UHFFFAOYSA-N	233.742	4.574	0	10	BJAE	
CC[C@@H](C)CNc1ccccc1-c1cccs1	37075599	CPUDHMRXWQAYHR-GFCCVEGCSA-N	245.391	4.873	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2cccc(Cl)c2Cl)C1	70760351	ZTPGLJUVPDXSGK-RKDXNWHRSA-N	244.165	4.594	0	10	BJAE	
Cc1cc(C)c(CCCC(=O)C(C)(C)C)c(C)c1	80384752	GJSYJMCDTQIGIU-UHFFFAOYSA-N	246.394	4.550	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C3CC3)C2)cc1C	81623912	NUZJMRAQYLPSBK-HOTGVXAUSA-N	243.394	4.684	0	10	BJAE	
Cc1ccc(C(=O)C2CCCCCCC2)c(C)c1	86578417	OXMZUJUCPIMRPQ-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
Cc1cc([C@H](C)N[C@H]2CCC[C@H](C)CC2)c(C)o1	86889608	XBUPEJYHFUYOEI-WHOFXGATSA-N	249.398	4.516	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC2(C)CCCC2)CC1	86909191	YMGBQBYMSSBOQJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2ccc(C(C)(C)C)cc2)C1	87985181	PDIRUUFGBMHPGC-JSGCOSHPSA-N	244.378	4.603	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCC[C@@H](C)CC2)c1	91510225	GPKRAXFJALJFJX-BXUZGUMPSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H](C)C[C@H](CNC(C)C)c1ccc(C)cc1	93138858	RHGGYSQDYADRLF-RHSMWYFYSA-N	247.426	4.513	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCC1(C)C	94303024	UBFNHBXWUPDVJH-OAHLLOKOSA-N	231.383	4.801	0	10	BJAE	
C/C=C\CCc1cc(Cl)c(OC)c(Cl)c1	107536959	VNKVDMGTBJEWBJ-ARJAWSKDSA-N	245.149	4.511	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc(C)cc1OC	109915411	FGYRKHMPQSIRNA-OCCSQVGLSA-N	249.398	4.630	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](CC)c1ccc(CC)cc1	109944531	HTBZQHKNSPOIAZ-SJORKVTESA-N	247.426	4.868	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](CC)c1ccc(C)cc1	111664442	JQTSYAZTPSHUKL-YOEHRIQHSA-N	247.426	4.860	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1ccc(CC)cc1	111817292	UKZHGNNAMDSZQQ-DOTOQJQBSA-N	248.410	4.889	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)C1CCCCC1	149406780	YFRFOKLXVIEVLU-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)C1CCCCCC1	150000415	ONDHKVMVQKRJQJ-GXDHUFHOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](c1ccccc1C1CCC1)[C@@H](C)CC	169085552	KKSPGTROXQECHT-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H]1CC[C@@H](CC)C1	227467189	VTBMPARGXOUYPW-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@H](C)c2ccco2)C1	230773727	PSZUDIQCLXZMBD-QLFBSQMISA-N	249.398	4.535	0	10	BJAE	
FC(F)(F)c1ccc2ccc(Cl)cc2c1	238592279	LAPIJJJVQGJHRT-UHFFFAOYSA-N	230.616	4.512	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC[C@H](C)C1)[C@H](C)CCC	253024071	CNPRTAPEQAEVNC-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H](C)CCCC	300907560	JRFTUANZWHNQAD-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CSc1cc2sccc2c(Cl)c1S	306854765	VTMYLTLAMZDMQL-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1sc(C)cc1CC	309348112	MPOWVXDBIBDGPK-SNVBAGLBSA-N	238.396	4.628	0	10	BJAE	
CC(C)(C)CCC[C@@]1(C2CC2)CCCCCN1	309993322	LUWGQQDIUWGZKV-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C/C=C\CCN[C@H](CCCCC)c1ccccc1	310596143	HEPSHLJJGIQYLD-XQDHMALISA-N	245.410	4.864	0	10	BJAE	
Cc1ccc(OC[C@@H](C)C2CCCCC2)cc1C	311085804	PNPFGORWFKHINQ-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1	315165084	MERUXCCZTWMRIL-FXUDXRNXSA-N	243.394	4.540	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC(C)C)([C@H]2C=CCCC2)C1	317930074	NDDQAXFJAUTPLD-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@H](C)C(C)C	319658501	PTNFMNDJZNJZNM-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cccc(Cl)c1C	320260966	ZGJKRNUWBUBEQY-ZJUUUORDSA-N	238.758	4.513	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)[C@H](C)c1ccccc1	384530684	DZAGUHCDYINQBI-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
CCC(CC)C(=O)c1ccc2ccccc2c1C	384724430	OJIAHNLWOVTBRK-UHFFFAOYSA-N	240.346	4.767	0	10	BJAE	
CN[C@@H](c1ccc(C)cc1C)C(C)(C)C(C)(C)C	386811821	OAKIDLUZVHHBOY-HNNXBMFYSA-N	247.426	4.636	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](O)(CC)C1CCCC1	387597548	VBNCVGIXYGYAFV-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1CC([C@](C)(O)CCC(C)(C)C)C[C@H](C)C1	393956965	GWIRHFKUYQFQKK-XJKCOSOUSA-N	240.431	4.636	0	10	BJAE	
CCOc1cc(C(F)F)cc2c(C)csc12	396244657	OBKDZHCNYQBBBV-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNC1(CC)CCCC1	401789508	FPTQOORIFWMVFJ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1OCCCC1CC1	405955565	KDFGEGDJRCKDBD-UHFFFAOYSA-N	232.367	4.553	0	10	BJAE	
CC(C)(C)P(C1=C[CH-][CH][CH-]1)C(C)(C)C	575733544	KKHBGNNAWXDXBM-UHFFFAOYSA-N	209.293	4.576	0	10	BJAE	
CCCCc1ccc(N[C@H](C)C(C)(C)C)cc1	687711355	QUUNPZSTQSBZKC-CYBMUJFWSA-N	233.399	4.876	0	10	BJAE	
Cc1cc(N[C@H](C)c2ccco2)cc(C)c1Cl	690263164	DYWYHYVAXGEDSW-LLVKDONJSA-N	249.741	4.723	0	10	BJAE	
Cc1cc(C(=O)CCCC2CCC2)cc(C)c1F	694962513	NSBCSACJGJELHX-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
Cc1ccc(Cl)c(NC2CCC3(CC2)CC3)c1	696009993	LMHHJGQXUWDWEN-UHFFFAOYSA-N	249.785	4.783	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1CCCC(C)(C)CC1	697631841	CQUPICARXCBAOZ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](Nc1cccc2ccsc12)C(C)(C)C	702477287	SOTRWRRUSOKCAZ-SNVBAGLBSA-N	233.380	4.748	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCCC12CCCC2	704459897	MLCOMSUOSFXPFJ-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(N)CCC2(CCCC2)CC1	704467314	XFBBEMLSTORZHU-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@H](C)CC(C)(C)C	704728050	KCCHUVHSHNFECX-GDBMZVCRSA-N	247.426	4.800	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@H]1CCCC[C@H]1C	704852866	XKMYVFVTUBMXNK-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCC23CCCCC3)CC1	705264843	HGEVPSSTRSMAQQ-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@H]1CCCC12CC2	706215030	JUTNSGLNAPOKKA-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@H]1CCCC12CC2	706252834	HQGXACISTAHOIE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H](C)CC(C)C)cc1	709126856	PNLJRIBTJDGHIR-AWEZNQCLSA-N	246.394	4.894	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1CCC2(CC1)CC2	709958920	IANLIVMFSHCCTO-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)CC[C@@H](CNC(C)C)C(C)(C)C	711244928	IJJBODUGWSXXSU-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CC(C)(CC[C@@H]1CC[C@H]2CCCC[C@H]2N1)C1CC1	712348009	VFDTWGHIENSLQN-VNQPRFMTSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC(C)(C)CC	713217148	JTWFLULTQSDVDM-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
C/C=C/C[C@@H](CC)c1ccc(C)cc1C	714561024	RTDXYPNGVFQKBU-HZRUHFOJSA-N	202.341	4.763	0	10	BJAE	
CC(C)c1ccccc1OCC[C@H]1C[C@@H]1C1CC1	714774563	BHOHJQGQUHSECH-GOEBONIOSA-N	244.378	4.625	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCCCCC1(C)C	719271928	XNCIJJQCLFZJHP-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
Cc1cccc(Cl)c1NCCCCC1CC1	720117211	NVTRMZRPPOFWMQ-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@H](C)C1CCCCC1	721698406	FFPBYPIIGHEGRT-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC1CCC1)N[C@H](C1CCCCC1)C1CC1	723949634	SYGPLGQGLGIPGW-CXAGYDPISA-N	249.442	4.514	0	10	BJAE	
C1=Cc2cc(NCc3ccccc3)ccc2CCC1	1203149470	LIBBCOHZTCMXMK-UHFFFAOYSA-N	249.357	4.648	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)c1ccccc1F	1258079636	SDIHSUNYYLOZQU-KBPBESRZSA-N	249.373	4.611	0	10	BJAE	
c1cc(CCCSC2CCCCC2)cs1	1307266312	LLNIUXOSLFBGFC-UHFFFAOYSA-N	240.437	4.747	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1ccc(Cl)cc1	1308324161	BOUHKFCJTUJPCX-DOMZBBRYSA-N	249.785	4.744	0	10	BJAE	
C/C(=C\Cl)CSCCC(C)(C)C1CC1	1641086639	CHEHYSYJINYOCG-CSKARUKUSA-N	232.820	4.689	0	10	BJAE	
C/C=C/CCCc1sccc1C1CC1	1885372621	IVCKZDJPEJHMBB-NSCUHMNNSA-N	206.354	4.524	0	10	BJAE	
CCC(CC)CC[C@@H](C)c1cccc(N)c1	1900712131	HFRYBQQPWRTNQQ-GFCCVEGCSA-N	219.372	4.589	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCCCC[C@H]2O)CC1	1909701602	PKJNPHQEGSNPRC-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	1911807572	NYDPZEVDBOEYCW-ARFHVFGLSA-N	246.394	4.684	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccnc(C2CC2)c1	1913019645	AVRPTJITJLNYNY-ZDUSSCGKSA-N	246.398	4.730	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H]1CCCCCCCC[C@H]1O	1913430273	JVBGNHLDQNBZLT-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](N[C@H]1CCC2(CCCCC2)C1)C(C)(C)C	1915854933	MJPOQOUJCCTRNV-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H](C)CC(C)(C)C	1919508744	SXIJMJPLWODKBG-DZGCQCFKSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@](O)(CC)c1cccc(C(C)C)c1	1919512169	XFKHMWFSDIMALB-MRXNPFEDSA-N	234.383	4.598	0	10	BJAE	
CCCCCC[C@](O)(CC(C)C)c1ccccc1	1920023891	BZLVQFXEXHGAEQ-KRWDZBQOSA-N	248.410	4.891	0	10	BJAE	
CCC(C)(C)C[C@@](N)(CC(C)C)c1ccccc1	1920462526	YUKWZPHDBOWSQD-KRWDZBQOSA-N	247.426	4.713	0	10	BJAE	
NC1(CC2CC2)CCCCCCCCCCC1	1920489274	KXUJMTKZPOAWGI-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CC1(C)C[C@@H]1CCN[C@H]1CCCC2(CCCC2)C1	1921580928	SOYJYGQPNGXCEZ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H](C)C2CCCC2)c1	1924111545	ZRVRLSUNEJZLEG-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C=CCCCC2)CCCC1	1925764442	ABHUONKKXRZADW-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1sccc1Cl	1928718521	NQJSVZPQRZEQJE-KOLCDFICSA-N	246.803	4.507	0	10	BJAE	
CCCCCC[C@@H](C)NCC(C)(CC)CC	1936270339	FOBMKOVDBIPBON-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)CCC1CCCC1	1937171189	YIVJBWDALQMVAB-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(C)CNCC(C)(C)CC1(C)CCCCC1	1940405287	GWVHCOZKSAZYMR-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)C[C@@H](C)C1CCCCC1	1941253410	VBTAPUKGTZNEKT-BMFZPTHFSA-N	240.431	4.636	0	10	BJAE	
CC1CC(C)(C(=O)c2ccc3sccc3c2)C1	1941988200	PYFXYYOPOAGWBK-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)C1(C)CCCCCC1	1942653321	PHZAZKFBJBRJBS-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@@H](C)C(O)(CC(C)C)CC(C)C	1942662503	OAUFXBJFEDSTJO-OAHLLOKOSA-N	242.447	4.882	0	10	BJAE	
CC[C@@](O)(C[C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)(C)C	1944200578	VZBTYYFZAUNVCK-ORIJERBGSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cccc(C)c1F	1947456266	DAFXNPZDDLQTBF-OLZOCXBDSA-N	235.346	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)CCC1CCCCC1	1947517168	YTLRBBSMSKKILU-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1C[C@@H]1CNC1CCCCCCCCC1	1947879249	OPVLXFAJVKXWOX-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCCCC1(C)CC1)C(C)(C)C	1949827304	LEXIZARFZKCEDB-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC=CC[C@H](C)c1c(C)cc(OC)c(C)c1C	1951308141	AKVCVBQWQZGASI-NSHDSACASA-N	232.367	4.690	0	10	BJAE	
CC(C)CC[C@H](C)N1C[C@H](C)[C@H]1c1ccccc1	1962913072	LXOBDOQLQMXYTE-ZOBUZTSGSA-N	245.410	4.504	0	10	BJAE	
CCC1CCC(CNc2ccc(C)cc2)CC1	1968259620	JNXWUCIVVYFHSP-UHFFFAOYSA-N	231.383	4.623	0	10	BJAE	
Cc1ccc(F)cc1NC[C@H]1CCCC2(CC2)C1	1968313099	WIBPFXYKHCQCMF-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CC(C)C[C@H](C)N(C)Cc1ccc(C(C)C)cc1	1968376684	DQJQLBROMFNMEY-HNNXBMFYSA-N	247.426	4.676	0	10	BJAE	
CCCC[C@@H](CC)CN1CCCCCC[C@@H]1C	1970723971	UBHMWGSBPMOVFS-JKSUJKDBSA-N	239.447	4.857	0	10	BJAE	
CCCC[C@@H](CC)NC1CC2(C1)C[C@H]1CC[C@H]2C1	1970820054	PCOTXONSJDVLGP-CGLCSIQHSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1ccc2sccc2c1	1977425940	LUYFPCHLXZPMDO-GWCFXTLKSA-N	231.364	4.502	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1csc(C(F)F)c1	1978582730	NWVKOWNDQDMXRJ-VIFPVBQESA-N	248.338	4.545	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC[C@H](C)CCC1=O	1984461837	HXXQZFUFODCKMV-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC[C@@H](CC)N1	1987090109	KYYVLKHHYMAHFA-RRFJBIMHSA-N	225.420	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CCC(C)C)CC1	1989840336	YZAKHRQLCIYNHV-HDJSIYSDSA-N	224.388	4.598	0	10	BJAE	
C1=CCC(Cc2ccc(-c3cccs3)s2)C1	1994873435	SMLUSDWZOCOUBY-UHFFFAOYSA-N	246.400	4.985	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1cscc1F	1995203351	KJFVQVZMMWHQOH-SNVBAGLBSA-N	242.359	4.676	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)C1CCC(C)CC1	1996567326	NLRRFOCBYAWOBT-BCLQGDPASA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](N[C@H]2CCC[C@@H](CC)CC2)C1	1997190756	ILLJSIOCGUIOQU-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@@H]1CCCC[C@H]1CC	2000318312	CMAYKODANKJXDL-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@@H]1CC12CCCC2	2001214924	GPQYHABOTSLLNT-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C[C@H]1CCC12CCC2	2001845978	YVQKNRUJWGPFLX-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@H]1CCC2(CC2)C1	2003198175	QATXQPSXEGAMPE-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)c1ccco1	2003686843	YXHDXZBSVRAEQQ-CQSZACIVSA-N	237.387	4.537	0	10	BJAE	
CC(C)=CCC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2004191606	QGBGEOBIFUEQJN-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H]1CCCC1(C)C	2004225452	DCXGKFPCVVJGKB-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)C1(C)CCC1	2004833149	AWEZDQWRAFPXRV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC1CC([C@H](N)C2(C)CCCCCCC2)C1	2004922429	HLGVUQIMVDXKDB-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(C=C1CCCCC1)C1CCCCC1	2007926552	OPUCINCBIZETDZ-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@]1(N)CCC[C@H](CC(C)C)C1	2009569110	LDHLRWFNPILMKG-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC=CCCCc1ccc(C(F)(F)F)cc1F	2009587808	GKPWMNVGWXKEBS-UHFFFAOYSA-N	246.247	4.743	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H](C)C(C)(C)C	2009630897	YHQDPLUWUKDFPM-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)C(C)(C)C	2010714293	HMWQARNUUZUMSD-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC[C@](N)(CCC[C@H]1C[C@@H]1C)C1CCCCC1	2011578078	ZULDDEUTSAIPPX-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
Clc1cccc(NC[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1	2011970907	RBZBYHYPVGDBTA-CLLJXQQHSA-N	249.785	4.578	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](CC)c1occc1C	2012055969	CNGSZDGPQORQCK-KGLIPLIRSA-N	237.387	4.598	0	10	BJAE	
CCCC[C@@](O)(CC)CC12CCC(CC1)CC2	2012823105	HEXLELQEBPJYBX-GPANFISMSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)C[C@]1(CNC(C)(C)C)CCC1(C)C	2014845776	IJROGGYZQNKHOS-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C[C@@H](O)[C@H](C)CC(C)(C)C)C(C)C	2015282901	ZKKAEYSDNQEROP-UKRRQHHQSA-N	242.447	4.738	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)c1csc2ccccc12	2015283225	BZPBPJAAFBYOOF-RISCZKNCSA-N	248.391	4.617	0	10	BJAE	
CCN[C@H](C)C[C@H](C)CCC(C(C)C)C(C)C	2015343738	GEEKACXTAMLSJG-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CC(=O)CCC2CCCC2)CCC1	2015598300	SNWOFGYTHCHMSK-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H](C)C2CCCC2)CCC1	2015640543	TULQLEPFNFQOQT-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@@H](N)C(C)C)CC1	2017733951	PNDYURVNJIWQII-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCC1(C[C@@](C)(O)[C@H]2CCCC(C)(C)C2)CC1	2018971726	BTCVAFHEZWIXFN-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)CN(C)C[C@@H]1CCC[C@H](C)C1	2019163803	LMGATLWBJKDONM-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCCC1(C[C@H]2CCCC(C)(C)[C@@H]2N)CCC1	2020365580	XPYBRDMBYUASAJ-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
FC(Cn1ccc2c(Cl)cccc21)=C1CCC1	2023184153	FLBVWQHERSJDNS-UHFFFAOYSA-N	249.716	4.702	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CCCCC(C)(F)F	2023310370	VNPXGLHPWPQZOR-CYBMUJFWSA-N	248.357	4.699	0	10	BJAE	
CCC(=O)CCCC1CC(C)(C)CC(C)(C)C1	2024091279	GYMGAGYBCGPUSW-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@H]1CCCC(C)(C)C1	2024095428	RBVUNSKSEFBZNT-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)c1cccc(C[C@@H]2C=CCCC2)c1	2024450880	KXJZCOJWLQRVJA-CQSZACIVSA-N	228.379	4.883	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C1=CC[C@H](C)CC1	2026170423	PPNCEASLUSXJBW-OFQRWUPVSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1ccc(C2(C)CC2)cc1	2028596008	CHCPGKCIQOFHJG-CJNGLKHVSA-N	245.410	4.564	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](N)[C@H](C)CCC(C)C	2029823772	JHAPCZDUPLGNAN-DJIMGWMZSA-N	247.426	4.580	0	10	BJAE	
Cc1cc(C)c([C@@H](O)[C@H](C)CCC(C)C)cc1C	2029836781	LXFHDTYYVHXEPD-PXAZEXFGSA-N	248.410	4.718	0	10	BJAE	
CCN[C@H](C1CCCC1)[C@@]12CCCC[C@@H]1CCC2	2031762369	XQKNAYHCQUSHHC-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)NCc1cccc(C2CCC2)c1	2031916264	RXGLOMBBMLNZDM-KRWDZBQOSA-N	245.410	4.622	0	10	BJAE	
CC(C)(CC[C@@H]1C[C@H]2CCCC[C@@H]2C1=O)C1CC1	2034256442	ATGNRAGMGMQNBR-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@H]1CC[C@H]2CC[C@H]1C2)C1CCCCCC1	2035047059	OWOMFHKLLAKPLI-JHNDHUHGSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCC1)C1CCC(C)CC1	2035602675	SPQZAPVTAMJDEQ-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)c1cccc(C2CC2)c1	2036353065	WPXKINATBDZFKW-TZMCWYRMSA-N	242.362	4.573	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@H]1C1C(C)(C)C1(C)C	2037220822	MYZPYCVETAVVDI-FZMZJTMJSA-N	243.394	4.514	0	10	BJAE	
CCNCC1([C@@H]2CCC3(CCCC3)C2)CCCC1	2037705536	VJMTYDZMGGIXNC-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)c1cccc(C)c1C	2040724964	AMTAMOFXWGEANJ-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC1(C)CC([C@]2(N)CCCC3(CCCCC3)C2)C1	2040766559	GDQIQCMVVVOCHU-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](NC[C@H]1CCC[C@H](C)CC1)c1ccco1	2041383830	QMLBEEFUDXNWRS-KKUMJFAQSA-N	249.398	4.537	0	10	BJAE	
CC1CC([C@H](C)N[C@@H]2CCCC3(CCCC3)C2)C1	2043547901	UISNJTQPNDKNDJ-BHDPWAOGSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCCN(C[C@@H]2CCC=CCCC2)C1	2045307305	JDWOQIGUTKZDHF-IAGOWNOFSA-N	249.442	4.635	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@@H]1CCC=CCCC1	2045323087	JOSACZPQZSDKMN-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@@H](CC2CC3(CCC3)C2)NC)CCC1	2045728115	RGKRZKIJXLVMNR-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2046491057	UDJUSGOOQXWWIR-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC(C)CN(CC1(C)CCCC1)c1ccccc1	2046579618	SIVBLWSAWOZKHW-UHFFFAOYSA-N	245.410	4.729	0	10	BJAE	
CCC1(C)CC([C@@H](N)C[C@@H]2CC23CCCCC3)C1	2047006336	ABBMODMIMDJMGV-FYRZTWFESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](N[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2048388879	XCQSMLUOQKAXGN-TWMKSMIVSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@H](CC2CCC3(CCCN3)CC2)C1	2048950355	JFZRWYWRNKNSEE-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
CN[C@H]([C@H]1CCCC(C)(C)C1)[C@@]1(C)C=CCCC1	2049999802	GZUSKNZDLXOQMU-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@H]2CCCC(C)(C)C2)cc1	2050433105	WBJYMMWZSPRHBO-ZBFHGGJFSA-N	246.394	4.635	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1ccccc1CC	2051406806	HEVGAMNCESTCIR-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@H]2CC=CCC2)CC1	2051617207	NZUMUAHPXAXKBT-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(CN)CCCCC12CCC2	2053420669	LVHZSDWBMHSTEO-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H]1CCCCC12CCC2	2053428283	BJPCYVARHHJBFF-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
FCc1ccc(N[C@@H]2CCC3(CCCC3)C2)cc1	2055667814	QLJCYTAUBAZVML-OAHLLOKOSA-N	247.357	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2CC(C3CCC3)C2)C1	2056676681	CKKOHUCJIRREDF-SQHUISNBSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@H]1CCC[C@@H]1C	2056882264	IODCVOXRZCHMOY-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@H]1CCC12CCC2)NCC	2059249012	DGQSBZKIIMMPPS-CFSAUIFESA-N	249.442	4.681	0	10	BJAE	
CC[C@]1(C2=CC[C@@H](C(C)C)CC2)CCCCCN1	2061089987	XLHJREKKDNUFSX-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)C1=CCC(C)(C)CC1	2061112888	JXKLKRFSUJMAPM-SUMWQHHRSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CC[C@@H]1CC1(C)C)C1=CCC(C)(C)CC1	2061139699	HZJQYKIHFVDPIF-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@@H](NCC)C1(C)CCC(C)(C)CC1	2061561035	NHSYBCSXLJQZRA-OAHLLOKOSA-N	249.442	4.692	0	10	BJAE	
CC1CCC(C)([C@H](N)CC[C@]23CCC[C@@H]2C3)CC1	2061571391	KEEJYZPEWUCDQB-LXJVZLBISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1N[C@H]1CCCCCC12CC2	2062015891	BYGFYVKULPLTPA-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	2062652367	OCTMUXSXWQYHEA-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](N2CC[C@]23CC[C@H](C)CC3)C1	2062760399	HJBBXEVFYQOCRA-INMHGKMJSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC12CCCC1CCC2	2063908681	JKHZTIZMKUPPDT-XNIRIUNOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NCC12CCC(CC1)CC2)C1CCC1	2065267898	OOFKVXVGPGBOIV-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN(CC)c2cccc(C)c2)CCC1	2069267388	AEKRZENHNTYADH-UHFFFAOYSA-N	245.410	4.792	0	10	BJAE	
CCCC1(C[C@H](N)C2CC[C@H]3C[C@@H]3CC2)CCC1	2069336457	ACJOGOLSQMUWIT-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(CC(=O)C23CCCC2CCC3)CCC1	2071921291	GEGXTAGLZPQNBJ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(C[C@@H](N)C23CCC(CC2)C3)CC1	2072810539	WXCPGWYTSLIJPH-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@@]23CCCC[C@H]2C3)C1	2074090292	IXQONTORYLQIQX-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H](CC2(CCF)CC2)Nc2ccccc21	2074623337	GXQNLTOYPGGLEC-OLZOCXBDSA-N	247.357	4.504	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@H]1CCCCC12CC2	2074796166	DVXIQKOXQUBSPZ-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@@H]2CCCC23CCC3)C1	2074893624	VYCYOVDQJWGAPN-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
Cc1ccc(N(C)[C@H]2CCC23CCCCC3)cc1	2075013090	PDYPQAONMGMUSP-INIZCTEOSA-N	243.394	4.544	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@@H]1C1CC1)C1CCCCC1	2079331127	BVPMQDBFYDORQR-UKRRQHHQSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2C[C@@H]2C2CCC2)CC1	2079334856	YJNNGNGSYNBQAN-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1ccc(C(C)(C)C)cc1	2079654961	FLXAYFGNANQODK-UONOGXRCSA-N	245.410	4.832	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCCCC12CCC2	2079845210	XOAACNIDRJIAJB-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](N)C=C2CCC2)CC1	2080217273	GLQNELSVHVHXGL-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
CCc1ccccc1[C@@H](C)Nc1ccc(C)cc1	2081207003	QLJTYCUDSDAHAY-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C1=C[C@H]2CC[C@H]1C2	2081681067	OXURSUABFCRULC-OFQRWUPVSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1NCC1CCC(C)CC1	2081946707	KQXOYLCDPBCRLC-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)CCC3(CCC3)C2)C1	2082976437	QOYNSGSZEIODEH-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@H](CC2CC(C)(C)CC(C)(C)C2)[C@H]1N	2082989205	ZDLZUPBSGPBEDL-CABCVRRESA-N	249.442	4.523	0	10	BJAE	
Cc1c(F)ccc(C(=O)C2(C)CCCCC2)c1C	2083355245	URVVXGHFZAZUOW-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCC1CC(CCN[C@H]2CCCCCC23CC3)C1	2084918857	YCLVYMYDUHYXQZ-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2ccn(CCCCC3CC3)c2c1	2214574142	RZZGUKGOVFYRCA-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCCCCC[C@](C)(N)CC1(C)CC(C)(C)C1	2215386266	LGGPQMKRIHGRTN-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@]2(C)C=CCCC2)C1	2215430697	KVCBLOZZNLGWDA-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1C[C@@H]1C1CCC1	2218722390	ADIUQASWDKTPSV-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@@]12CCCC[C@H]1CCC2	2220965466	ZQEVIGCJQDPCHF-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)CC2(C)CC(C)(C)C2)c1	2221006693	XNGXFZJCTHJGOM-HNNXBMFYSA-N	246.394	4.553	0	10	BJAE	
CCC1CC(C[C@@H](NC)[C@@]2(C)CC=C(C)CC2)C1	2221621661	FQWIYNPETZZCCR-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
C(CCCC1CC1)CCCN1CC[C@@H]2CCC[C@H]21	2223113883	QKHZLOWMVXSUCD-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
Cc1scc(C/C=C/c2ccccc2)c1C	2242609612	WNCUXADAWIHHTP-RMKNXTFCSA-N	228.360	4.621	0	10	BJAE	
CCCC[C@H](C)C(=O)CC[C@H]1CCC[C@H](C)C1	2246677569	DBEUFYODJOPOAV-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)C[C@H](CCCC[C@@H]1C[C@@H]1C)NC	2247176172	NMMZKWYPPGCIHO-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](O)CCCCC[C@@H]1C[C@@H]1C	2248814116	LCJILALMVILUQD-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C(=O)[C@@H]1CCC2(CCCC2)C1	2250354089	ABKBJDPOJOQODJ-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)CNCC[C@@H]1CCC[C@@H](C)C1	2250381143	LFOXFPHJDQGMKA-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)(C)[C@@H]1NC	2251701101	MSXGHBOBZXSKOJ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)c1ccc2ccsc2c1)C(C)(C)C	2253132830	IBASGHKBAQROTD-SNVBAGLBSA-N	246.375	4.766	0	10	BJAE	
C[C@]1(C(=O)CC[C@@H]2CCCCC23CC3)C=CCC1	2253856761	RLHAYZHKMYQSCW-HOCLYGCPSA-N	246.394	4.662	0	10	BJAE	
NC[C@@H]1CCC[C@@H](CC[C@@H]2CCCCC23CC3)C1	2253886236	JSVXLPPZCGQTEI-XHSDSOJGSA-N	249.442	4.502	0	10	BJAE	
CCCc1ccccc1NCCCC[C@@H]1C[C@H]1C	2254541715	BERVGLFANFPMBA-GDBMZVCRSA-N	245.410	4.877	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC12CC2)C1CCCCC1	2255223150	BVPUDBGDBZRBPC-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC[C@H]2CCCC23CC3)C1	2255308061	GZWVIEJXDBKOMW-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@@]12CCC[C@H]1CC2	2260486521	CIUQSPHISZRZMX-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H]1CCNc2ccc(F)cc21	2261338223	IVAZTBGTFSLWKF-AGIUHOORSA-N	247.357	4.551	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](NC2CC3(CCC3)C2)C1	2261397645	KGLKDQXBLCPXNP-CQSZACIVSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)C[C@@H]1C[C@H]1CCC	2297876301	LRQQAKNQLQXRSW-LVQVYYBASA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC[C@@H]2C[C@@H]2C)CC1	2298135319	XRKFAUUEQYRMMN-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCC[C@@H](O)c1ccccc1C	2300707149	YEXJNALNSQIIEM-MRXNPFEDSA-N	234.383	4.635	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H](C)C(C)(C)C	2300878582	AOWNLXPVTFYCTL-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CC(C)=CC[C@H](N)CC=C(C)CCCC(C)C	2300919008	QWTHDRUOYOJGBF-INIZCTEOSA-N	237.431	4.833	0	10	BJAE	
CC[C@H](C[C@H](N)[C@H](C)[C@@H](C)C(C)C)C(C)(C)C	2301824087	AAKSFVWGTLBCIJ-YJNKXOJESA-N	241.463	4.704	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)C(C)(C)C1CCCC1	2301827279	AEZUTOSBVQFJDJ-CHWSQXEVSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)CCC1=CCCCC1	2301925294	CPIKZTIZAQRVGE-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)CCC1=CCCCC1	2301938681	OKBYSGKOAPLVLC-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@@H]1CCC(C)(C)C1	2302684297	BJBSHJSSPYOBIK-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1CC[C@H](C)[C@@H](C)N1	2302684408	CQFGNNZPXGOPFZ-FZKCQIBNSA-N	239.447	4.760	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303449590	JXIHXGJSHBIXCR-JHJVBQTASA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@@H](CSc2cccc(O)c2)CC1	2303576721	ZZDCKEJAJHETPU-ZDUSSCGKSA-N	248.391	4.621	0	10	BJAE	
CC1=C(C)C[C@@](CNC(C)C)(CC(C)C)CC1	2303578208	BIQRCKXKGQRQIN-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC(F)F)C[C@H](CC)CCC	2307910810	ZYTPFGYIMDJJRL-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
N[C@@H](C1CCCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309181504	BNWPBDIDVQNNTB-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
C1CCC[C@H]2[C@@H](CC1)C[C@@H]2NCCCC1CCC1	2309184827	MAOBOEISZVHJTO-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309185202	SJTZDPIXZVMBKE-QUSNUVHPSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@](C)(C(=O)C[C@@]23CCC[C@@H]2C3)C1(C)C	2310888286	VWAFBJYZLTWEAD-RMHZUWNSSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(C[C@@]23CCC[C@@H]2C3)CC1	2310895259	RMWMPHDKXLFSKG-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)C[C@@]23CCC[C@@H]2C3)C1	2312670301	MWFJYWVSQDADPC-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC[C@@H](N)[C@@]12CCCC[C@@H]1CC2)C1CC1	2313289503	HNDHERFSGMSTHJ-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@@]12CCC[C@@H]1CC2)C1(C)CCCC1	2313322041	ZLDCEJWTFUKRMM-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1NCCCC1=CCCCC1	2318529464	QKVPKJVYEIPPKB-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)C1CC2(CCC2)C1	2318567765	HJJLQYZULZCZRE-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC(CCNCCCC2=CCCCC2)C1	2318573223	PDPWPVMHKGPNGZ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
N[C@H]1CCC[C@@H]1CC[C@@H]1C[C@H]1C1CCCCCC1	2319010915	UPBZTAZHWMSODB-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C2CCC3(CC2)CC3)C1	2319124353	RMQIBEPSJWBLJQ-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H](C)C2CCC(C)CC2)CC1	2320241395	UEBKCJAVAYHHMB-LCDBUSSMSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(N)CCC=CCCC1	2320323403	XKHWSTSGTBOBCF-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)c2ccc(C)cc2)CC1	2320334981	AGCNOFITMULHHU-DOTOQJQBSA-N	243.394	4.521	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H]2CCC3(CCCC3)C2)CC1	2320407207	YIUBVGBZRRZJPI-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CCC1CC([C@@H](N)c2cc(C)ccc2C(C)C)C1	2327794285	HSDNQKQJZXIHNF-MQBCKMQZSA-N	245.410	4.554	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CC)CCCC	68986256	JEQCAKZCLUKUNG-KBPBESRZSA-N	213.409	4.514	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCC[C@H](CC)C1	70565980	IUDFFHHFMRTTOG-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCC)[C@@H](C)CC	82562496	PJASZZHNAFEVBP-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@H](N)C1CCC(CCC)CC1	83780594	SRLNBIMTMLSEQO-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CCC1CCC(C)CC1)C(C)(C)C	85083001	CPEWSSAPNFMRHM-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)C1CCC(CC)CC1	85083049	KKGKFGHUUVBRMP-QVOMUQBLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCC[C@@H](CCC)CC1	87187536	QIWGYVSGOWSXHD-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1C[C@@H]1NC1CCCCCCCCCCC1	103971702	IVQBDDOGIHZBDK-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
CCCc1ccc([C@H](O)CC2CCCCC2)cc1	109788330	QLDQCGOSVKXAAG-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
O=C(CC1CC1)c1ccc(C2CCCCC2)cc1	110172158	WGTSRGNMEOYHAF-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1(CC)CCCC1	124991764	JFVHFQBJPLAKOC-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CCc1csc(-c2cccc3ccccc23)n1	132016117	PFESWBANQVBQMO-UHFFFAOYSA-N	239.343	4.526	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H]1CNC(C)C	133607055	IBZZPRJEUVJOGS-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)C1CCCCCC1	149820576	FCXZOLVBEPBORT-HOCLYGCPSA-N	239.447	4.904	0	10	BJAE	
CCCC(CCC)[C@H](CC1CCCCC1)NC	160993422	DVCCKFJLMKZUCP-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1	167280399	VVRJXBXMXMLLOD-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
CCC[C@H](NCC)[C@H]1CCC[C@H](C(C)C)CC1	212567511	WOUYIZCAEFMOEC-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@H]1CCC[C@@H](C)C1	217991114	HGGFZYCMBQIBBB-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@@H](C)[C@@H]1C	225992757	QRXXHFLCTVDHDW-FXUDXRNXSA-N	239.447	4.760	0	10	BJAE	
CCCCC1CCC([C@@H](N)C(CC)CC)CC1	228690023	GEVZGYVEIIRLSX-BCLQGDPASA-N	239.447	4.747	0	10	BJAE	
O=C1CCCCC[C@H]1c1cccc(C2CCC2)c1	229625678	WXWZASXTKQSJFZ-INIZCTEOSA-N	242.362	4.571	0	10	BJAE	
Cc1ccc2ccccc2c1-c1cccc(N)c1C	232217673	PIHKFOZOYLYINX-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
Cc1ccc([C@H](O)CCCC(C)C)c(Cl)c1	232560415	WDMAXFWPEZRJMG-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCCC[C@H]1N	251248602	AXNQMGJJBLEEFD-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CC[C@H](C)CC2)cc1C	253129779	NTPIUWCJUYSUOI-SRCQZFHVSA-N	245.410	4.533	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CCCC(C)(C)C)c1	302264901	FXUAYHJDAPRZNL-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1Nc2ccccc2C[C@@H]1C	302431027	VJRQEUIEFGFSNB-ZQIUZPCESA-N	245.410	4.732	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)c(Cl)c1)C1CC1	304387136	XTRVIUGVBSIMMG-CQSZACIVSA-N	237.774	4.639	0	10	BJAE	
CSc1ccc(Cl)c2sc(Cl)cc12	307100201	XQPRFUJLDJIFGJ-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@H](CC)CC(C)C	308099321	QGKPYSDFKQCTTP-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC1(CC2(CNC(C)(C)C)CCC2)CCCC1	310186957	YTURVFZUPHKKTK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCCC2)CC[C@@H](CC)C1	318427901	LSKUNIOHKXNDSC-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)c1ccc(C(C)(C)C)cc1	319074322	ZCEZQJYNPPXDGA-HEHGZKQESA-N	247.426	4.666	0	10	BJAE	
CC[C@H](Nc1cccc2c1CCCC2)C1CCC1	322505751	FNCWLUZUIJDLDJ-INIZCTEOSA-N	243.394	4.556	0	10	BJAE	
CCC[C@](O)(CCCC(C)(C)C)C1CCC1	322685859	KVCGBNKLVSMJTC-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](C[C@H](C)C1CCCCC1)NC	380036914	QRNUTRDHAJSZBP-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC1(CC)CCC1	380224523	WMSKAXHDTHEDDV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@H](F)c1cccc2c1NCC2	380538484	AUAPRXFLLGEPEP-AWEZNQCLSA-N	249.373	4.882	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](N)c2ccccc2C(C)C)C1	381345565	LMCRKPKWDNIRKA-CKEIUWERSA-N	245.410	4.636	0	10	BJAE	
CCNC[C@](C)(CC)CCCCCC(C)C	383242646	IZRNKFWKTUBHKK-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCCCC[C@H](N)c1ccccc1CCC	384465136	PCOZGWKZOAIHBG-INIZCTEOSA-N	233.399	4.609	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCC[C@H](C)C2)ccc1F	385266775	CMSCWUKJELBEIF-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CC1(C)CC[C@@H]1Nc1cccc2ccsc12	386253379	SHHSVQPLOFFUKA-LBPRGKRZSA-N	231.364	4.502	0	10	BJAE	
C[C@@H](C[C@H](O)C(C)(C)C(C)(C)C)c1ccccc1	395271568	YARYPQNGALKQCB-ZFWWWQNUSA-N	248.410	4.613	0	10	BJAE	
Cc1ccc(SCCC2=CCCCC2)c(N)c1	395336701	WDOOCCHHXXJYJV-UHFFFAOYSA-N	247.407	4.560	0	10	BJAE	
CCc1ccc(CC)c2sc(SC)cc12	396176925	ISNQDRCPHLXRAU-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCC[C@H](Nc1cccc(C)c1C)[C@@H]1CC1(C)C	397608242	NHHYSEKVKNRKSO-HOCLYGCPSA-N	245.410	4.930	0	10	BJAE	
CCN[C@H](c1ccc(C)c(C)c1)[C@@H](C)C(C)(C)C	399174234	MJMSULUIGNQZQW-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)CC1(C)CC1	401348051	VVXKFPXZRMWGEI-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCCCC[C@H](CC(C)(C)c1ccccc1)NC	686728698	OCJPXKKIOVDLJZ-MRXNPFEDSA-N	247.426	4.523	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H](C)[C@@H]1C[C@H]1C	690207399	QBOTZZKQTWLUEM-XJKCOSOUSA-N	245.410	4.576	0	10	BJAE	
CCCNC[C@@]1(CC2CC=CC2)CCC[C@H](C)C1	692159317	YLRNUQPIOOZOJN-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@@H]1CCCC2(CC2)C1	695986132	QUFIZKPLSHYHHR-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)CC[C@H](O)CCc1cccc(C)c1	696598778	NQHJZDLZHHJONM-MRXNPFEDSA-N	248.410	4.505	0	10	BJAE	
CCc1ccc([C@](C)(N)CCC(C)(C)CC)cc1	696678322	NNYQLTKDLUSXPR-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1(C(C)C)CC1	700081768	QYIRCWNXTQQPKJ-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCc1ccccc1OCCCC(C)(C)C	703868562	DCAZOFLJNZBTID-UHFFFAOYSA-N	234.383	4.844	0	10	BJAE	
c1ccc2cc(N[C@H]3CCCC34CC4)ccc2c1	707024723	VQPIEMSYEKSQPH-INIZCTEOSA-N	237.346	4.584	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@]23CCCC[C@@H]2C3)c(F)c1	709137284	ZANHBQWVONMMAG-IOASZLSFSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H](Nc1csc(C)c1)c1ccsc1	710711754	UYNFPBHEJBAZAB-GFCCVEGCSA-N	237.393	4.681	0	10	BJAE	
C[C@@H](C[C@@]1(N)C[C@H](C)CC(C)(C)C1)C(C)(C)C	710754007	OHEQRHDITMLILY-WWGRRREGSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H](C)C(C)(C)C)NC	711108828	LYLNCNZBNAVXQW-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H](C)C(C)(C)C	711202184	UCTWHYJCWFAQBX-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
CCC1CCC([C@@H]2CC[C@@H]3CCCC[C@@H]3N2)CC1	712298100	BVVGDXHISJZJQG-LZYVMWMOSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)C[C@@H]2CCCC[C@@H]21	712472102	ATBVVPPEGCPTRP-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(N)CC(C)(C)CC[C@@H]1C	713165676	RBOQDKQPOJHOGS-XJKSGUPXSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(CO)CCC=CCCC1	718988185	IZAZMHWIQZWRJB-MRXNPFEDSA-N	238.415	4.558	0	10	BJAE	
Cc1ccccc1-c1cc(F)c2occ(C)c2c1	725412104	MXDJNLAKARLFNJ-UHFFFAOYSA-N	240.277	4.856	0	10	BJAE	
CC[C@@H](CSc1ccccc1C)CC(F)F	1165561862	FBPANSDLGZHHRO-LLVKDONJSA-N	244.350	4.769	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C(C)(CC)CC	1900872696	ZWSWCYNSHGVSLB-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCC(C)=CCCC(F)(F)c1ccccc1	1900896286	BGVURMQUIMIZMK-UHFFFAOYSA-N	224.294	4.915	0	10	BJAE	
CCCC[C@@H](N)CCC[C@@H]1CCC(C)(C)C1	1903422629	QZWADAMEXODBJD-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC(CC)(CC)CNCC	1905434954	ODVUWJKTSWVFCL-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccccc1Cl	1905435938	VXSNYLBRXNNOJX-SMDDNHRTSA-N	239.790	4.556	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(CCC)CCCCCN1	1910744876	XHISPQFVWCCQKC-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CC=CC[C@H](CC)c1cc(C)ccc1C	1912055737	IIIJEMBXODCDGU-AWEZNQCLSA-N	202.341	4.763	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H](CC)CC(C)C	1912134102	CTNYJYCIHIQEGL-HOTGVXAUSA-N	237.431	4.559	0	10	BJAE	
CC1CCC(C[C@@]2(CNC(C)C)C=CCC2)CC1	1916336223	AOWZDSPFAKUTNR-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1CCCC[C@@H]1CC	1920183663	WLYLVYKUEHNVQM-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
C1CCCC(CNC[C@H]2CCCC23CCC3)CC1	1921607689	XLTOARQGEMBVRD-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(Cl)c(C[C@@H]2C=CCCCC2)c1	1925853992	JFJZOXWYZFYWQX-CYBMUJFWSA-N	234.770	4.937	0	10	BJAE	
COc1cc(C)cc(C[C@@H]2C=CCCCC2)c1C	1925869597	KGKLCNUWKCFTQO-OAHLLOKOSA-N	244.378	4.601	0	10	BJAE	
CCC(CC)CC(=O)c1cccc(C2(C)CC2)c1	1926178348	SCHHRPKVDUMOAV-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCC(CC)C[C@@H](NC)c1ccccc1C1CC1	1926382069	NQGMHOLNGKLEIX-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H](C(=O)CCC(C)=C(C)C)C(C)C	1936208485	IKMZLRRVEVNJRS-CQSZACIVSA-N	224.388	4.764	0	10	BJAE	
CC1(C[C@]2(O)CCCCC2(C)C)CCCCC1	1940407075	ICPDKJKXUDGQFR-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CC2(C)CCCCC2)C1	1940407502	JFTLCUZGGNXAMD-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@@H](C)CC(C)(C)C	1940873680	CQPIPCCVIBSLNV-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@H](CCC)C(C)C	1941272766	MTZLEYYXBURMOW-HZPDHXFCSA-N	237.431	4.559	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@@H](CCC)C(C)C	1941273382	QVEVYRKMYLJXPJ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@]1(CC)CC1(F)F	1948109189	MAHJAUDMIUBQFL-AAEUAGOBSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)C[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948594885	CIIPVONONKCPHK-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc2ccn([C@@H]3CCC(C)(C)C3)c2c1	1949493116	JWTIBPRFXIBNNM-CQSZACIVSA-N	227.351	4.701	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2C=CCCC2)CC1	1950930659	QNIMWCRDMHHCGK-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](C)c1nc(C(C)C)cs1	1956204070	QFVOYDDFWUGKSF-SNVBAGLBSA-N	211.374	4.560	0	10	BJAE	
C(CCNC1(C2CCCCC2)CC1)CCC1CC1	1966274616	VMOUFFWNLRCOLZ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](NCC(C)(CC)CC)c1cccc(C)c1	1973315487	IUDAWCCQHYGEAU-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCCC1(C(=O)CCC(C)(C)CC)CCC1	1978424128	AFTQAXYCYKQOMP-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)c1cnc(C2(C)CCCCCC2)s1	1981428601	SZNZFFMOZAVMPE-UHFFFAOYSA-N	237.412	4.878	0	10	BJAE	
CCCCCC[C@H](O)C1(C)CCC(C)CC1	1983318238	JIKXHBRGTFNYMZ-SLTAFYQDSA-N	226.404	4.534	0	10	BJAE	
CC=CCCC[C@@H](CCCCCC)NCC	1984629235	FVBDYPINFGUVGE-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
C/C=C/CCC[C@H](CC(CC)CC)NCC	1984630746	VEKFLIWNDXEPSJ-FUVBFXSKSA-N	225.420	4.537	0	10	BJAE	
CCCC(O)(CCC)CC1(CCC)CCC1	1988464589	QQBSYRSZQSDFLE-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C(C)=C(C)C	1989659772	UJTFOPHTVOURAS-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC=C(CC)[C@@H](NCC)C(CCC)CCC	1992056144	FYORBEBENPNXJE-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1C[C@H]1CCC	1993069540	NHMRSMLMJQWPSW-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCc1ccc(Cl)c(C(F)(F)F)c1	1995147993	VIWKAXSDGSILSQ-UHFFFAOYSA-N	248.675	4.868	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@@H]1CCC1(C)C	1995215749	YNZKUWUUGXIPAU-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](C[C@](C)(N)C1(C)CCCCC1)C(C)(C)C	1995985356	IWYZPOXSCQMNRY-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@](C)(O)C1CCC(C)(C)CC1	1996553624	QFYHZUNASCSGHZ-XEZPLFJOSA-N	240.431	4.636	0	10	BJAE	
CC[C@](N)(CC[C@H]1CC1(C)C)C1CCCCC1	1996592936	DUAHFPFKJLETOB-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CC(C)(C)C2)c(C)c1	1998658194	PSMUBBICIYBBAI-CYBMUJFWSA-N	231.383	4.540	0	10	BJAE	
CCC(C)(CC)C1(O)CC2(CCCCCC2)C1	2000665396	DZTKWVZBQGYXGD-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(O)CC2(C)CCC2)C1	2003022220	SOPQYICYPKHKQF-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@H]1CCCCCC[C@H]1N)CC(C)(C)C	2003095477	OCWFDTNKTISDKU-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](NC1CCCCCCCC1)C1CCC1	2003102947	ZPEKDRQOCBPACW-MRXNPFEDSA-N	237.431	4.658	0	10	BJAE	
CC(C)=CC[C@]1(O)CCCCC12CCCCC2	2004225318	CQTLPFRSYKZXBN-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC)CCC(O)([C@@H](C)CC(C)C)CC1	2004339179	MAZRNFSSKMINGM-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](CC)C[C@@H](NCC)C1	2006631504	MAPMQRYNTHZUCF-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H](CC)C(F)F)cc1	2009033582	KWPMIMIYZZLQEV-ZWNOBZJWSA-N	241.325	4.656	0	10	BJAE	
CCC1(C[C@@H]2CCC(C)(C)CCC2=O)CCC1	2009403752	GHSYSQQFUOLZLG-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)C(CCC(=O)C1CCCCC1)C(C)C	2015390803	QQLMLTMQRGCXHH-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCC1(C[C@H](O)C2CC(C)(CC)C2)CCC1	2015632150	JJBFINDIKWLVQM-SLTAFYQDSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)C1(C)CCC(C)CC1	2017478134	OHSQLKVAIUZIJR-SIWZUTFBSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H](CC)CC(C)C	2017478540	SGLXCXLZDNJHFS-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CCC[C@H]1CC[C@H](CNc2ccccc2)CC1	2017657766	IPUBBQAFAQCFQF-SHTZXODSSA-N	231.383	4.705	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@H]1CC[C@H](C)CC1	2017723066	IPKJTCNTJQYZBZ-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)Nc1cccc(C(C)C)n1	2018079777	PRNQAKRZTBBOBP-ZDUSSCGKSA-N	234.387	4.586	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1C[C@@H]1C(C)(C)C	2018141500	PKIKFYBRSIUCLG-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@]12CCCC[C@H]1C2	2018583628	SIKZFMHVJHPHIQ-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCCCCCN1CCCC[C@H]1C1CCCC1	2019292088	VIHJOBRCIJUYKL-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H]1CC=CCC1	2019359578	KHHWZIUVJMFMPS-HOTGVXAUSA-N	237.431	4.633	0	10	BJAE	
C1=C[C@@H](Nc2cccc3ccsc23)CCCC1	2019506396	VPPPQWQNZZUGAE-CYBMUJFWSA-N	243.375	4.812	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1C[C@@H]1C(C)(C)C)NC	2022486356	WOJSNVWLRQJATN-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCCCC(C)(F)F)C(C)C	2023277541	ACOXTUFNDHWIHK-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC(C)(C)C1(C)C	2025022140	XUGLPYNYMVJAAG-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCCC[C@H]1c1nc(CC2CC2)cs1	2026539224	AJCRZNRWDVZHEF-ZDUSSCGKSA-N	249.423	4.779	0	10	BJAE	
CCc1cc(NCCC[C@H]2CC2(C)C)ccc1F	2027831682	IGXUYSCNFQBEON-ZDUSSCGKSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1C[C@@H]1C1CCCC1	2028461432	IVNIHSCJENVHCX-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C(C)C)[C@H](NC)c1ccc(C2CC2)cc1	2028594606	YQLZVGLPUAPVGF-IAGOWNOFSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C=C(CN)C2CCCCC2)C1	2030237594	PCEASQOZHIVQRP-FICVDOATSA-N	249.442	4.524	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CCC(C)(C)C2)cc1C	2033395548	UDOJRAWORPUQCW-CQSZACIVSA-N	244.378	4.621	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1CC(C2CCCC2)C1	2033763819	DTBUENJVVWBXEJ-LYAPFXNSSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCC[C@H]1C(C)C	2035401777	ZMPZHORTUPMKKX-RDJZCZTQSA-N	245.410	4.876	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)[C@@H]1CCC(C)(C)C1	2035587280	BMYKTEACPNVTHC-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC([C@@H](N)C[C@H]2C=CCC2)CC(C)(C)C1	2035601093	RHHDLOBDRNUUID-ZFWWWQNUSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C2=CCCCCCC2)CC1	2037074393	MZIMWEGBPFGONY-WBVHZDCISA-N	249.442	4.955	0	10	BJAE	
CC1(C)CC[C@H]([C@@H]2CCC3(CCCC3)C2)C[C@H]1N	2037867063	VMYXLGXXZPDDBQ-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC1CC(C)(CNc2ccccc2C(C)(C)C)C1	2038872434	HHJNVKYFNGHFMS-UHFFFAOYSA-N	245.410	4.832	0	10	BJAE	
C1=C[C@H](N[C@H]2CCCCC23CCCC3)CCCC1	2039030943	ABELOYDNKWUCEO-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNC(C)(C)C1CCCC1	2039453335	QVAHZNDHGSSHSN-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC1CCC([C@@H](C)N[C@@H]2CC23CCCCC3)CC1	2040637071	YEYWZRMYINRTDB-GYTBAZASSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@@]1(C)CCCC1(C)C	2041728248	HXXVKSCAYHMXGE-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C1(C)CC=CC1	2042026672	GROFFKVTWMARNW-INIZCTEOSA-N	247.426	4.601	0	10	BJAE	
CN[C@@H](CC1CCC(C)CC1)[C@@]1(C)CC=CCC1	2042027164	KQKSTLMHDGGXIX-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccccc1C1CC1	2042272112	GXLHMJGTUXWOMJ-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCCCc1ccc(NCC2CC=CC2)cc1	2042333121	PDBHCCHTSGHJLD-UHFFFAOYSA-N	243.394	4.797	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042345544	ROSXFWPSQMCVQX-WCXIOVBPSA-N	249.442	4.680	0	10	BJAE	
CCC1(CC)CCCN1C[C@@H]1CCC=CCCC1	2045308293	STBFQCFJEAPQIC-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C[C@H]2CCC=CCCC2)C1	2045314053	GEUXFQRGMPZFQG-YYIAUSFCSA-N	249.442	4.667	0	10	BJAE	
CCC1(C)CC([C@H](N)C[C@@H]2CCC=CCCC2)C1	2045329068	KWIYFTDTCBVEIZ-KZYLPZIUSA-N	249.442	4.667	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)[C@H]2CCCC(C)(C)C2)C1	2045532521	QDZKBOHPEWPJJD-QCEMKRCNSA-N	249.442	4.523	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2CC23CCCC3)CCCCC1	2047054066	AQKHDJVHMNEYIQ-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2CCC23CCC3)CC1	2047960629	ARSFRNQPDWYQAV-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048443909	VKSNPRSFRBEEBJ-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C1[C@@H]2CCCCC[C@@H]12	2049217930	LHBLAPYBZCOENY-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1(NC[C@H]2CCCC3(CC3)C2)CCCCCC1	2049856285	QKIOIBPAFAATSI-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](C[C@H]1CCCC2(CC2)C1)C1CCCC1	2049863565	YLUKKNJYKSBANZ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](O)CC[C@H]2C=CCCCC2)c1	2050428685	GAHFJHCQHVMCTL-DOTOQJQBSA-N	244.378	4.555	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H]1CCCCC12CC2	2053304014	HJCVTJVHJWZKOR-HOCLYGCPSA-N	247.426	4.578	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2056537327	KMXBMXPYPGSVDP-CLPSQLOGSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC(CC(=O)[C@H]2CCCC23CCC3)C1	2056669143	FVCMORULBURLFX-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](NC)[C@]12CCCC[C@H]1CCC2	2059254651	AOJRXSZEDNGYSU-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(Nc2cc(F)ccc2C)C1	2059397640	MEKFJHBTPMGXRO-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@](C)(N)C2CCCCC2)CC1	2061119445	PFHVBZVRFWMBKW-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC[C@]12CCC[C@@H]1C2)C1CCCCC1	2061575168	PHMDXXOEEHMIMP-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCN[C@H]1CCCC2(CCCC2)C1	2062640730	FBXLWBDXUMHYNH-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)CC1CC2(C1)CC(C)(C)C2	2063203796	JBBUBQIJVLTAJN-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1CCCCCC[C@@H]1C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063486839	LZDLZWGUTDEZBB-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N(C)CC1CCC=CCC1)C1(C)CCCC1	2067600977	MWJLWHATFZMNLV-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)[C@@H]1CCC1(C)C	2068287571	NCDQDASSEVYOKW-ZFWWWQNUSA-N	245.410	4.876	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2068707702	LEGKDGMEPWFYQZ-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC12CCC2)C1CCCCC1	2069201338	LRSGBUXMYOUJBO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](O)c2c(C)cccc2C)CCC1	2069338734	AQPWPHLZLATXLF-HNNXBMFYSA-N	246.394	4.697	0	10	BJAE	
CC(C)CC1(C(=O)C2CC3(C2)CC(C)(C)C3)CC1	2069509582	RBNRPAVSPMYUIK-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1C[C@@H]2CCCC[C@H]21	2070399980	UHVGYJUOHRABTI-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](C[C@@]23CCC[C@H]2C3)C1	2070927354	SJDOHOHBERTMHG-QDEZUTFSSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@]1(N)CC[C@@H]1C1CCC1)C1CCCCC1	2071788228	TXQWFFKMVJBIHT-KBRIMQKVSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1([C@@H](N)C[C@H]2CC23CCCC3)CCC1	2071932416	IOXXNXNCQBSHOD-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1(C(C)(C)C)CCC1)C1(C)CC=CC1	2071946808	UNCVSZHZUCUSKF-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1cccc(C)c1C	2072416687	IOMKLXLGJQNIFK-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)c2ccccc2C)CC1	2072695183	FPCRFRYHFXSAAS-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
CCCC[C@@]1(C[C@@H]2CCCC3(CC3)C2)CCCN1	2073791526	RLWOQMBPFDJJFA-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@]23CCCC[C@@H]2C3)CC1	2074091797	SGWVAXDVMCQWII-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@]2(N)CCCC23CCCCC3)CC1	2074624815	VIZKLWGQCMQIHI-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCC1(CC)CC(N(C)[C@H](C)c2ccccc2)C1	2074790683	WIZCFAICYSFJDO-CQSZACIVSA-N	245.410	4.648	0	10	BJAE	
C1=C[C@H](Nc2ccc(C3CCC3)cc2)CCCC1	2075370356	NFLHBFDXUKTSIN-INIZCTEOSA-N	241.378	4.865	0	10	BJAE	
CCC[C@@](N)(CC1CC(=C2CCC2)C1)C(C)(C)C	2075821799	WKAXAGPMZOPURD-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2CC3CCC2CC3)C1=O	2076448707	ADLGDXITOBLVOZ-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CCCNCC(C)=C[C@H]1C[C@@H]1C1CCCCCC1	2079664254	DQWWBQRLCOZKKI-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CCC1([C@H](N)C[C@H]2C[C@H]2C2CCCC2)CCCC1	2079723947	JCYVDJAWVWTVCW-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](CN)(CCCCC2CC2)C1	2214569510	MZRPIRMNJFSWJR-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1C[C@H]1Cn1c(C)cc2cc(Cl)ccc21	2214991520	FSPMDCSXXFUSGA-YPMHNXCESA-N	247.769	4.649	0	10	BJAE	
CCCSc1ccccc1NCC[C@H]1C[C@H]1C	2215314051	RLSGZKUDISITQS-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)CC1(C)CCCC1	2217157643	UQEGQWYAXVMHEI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C(=O)CC1C[C@H]2CCC[C@H](C1)C2)C1CCC1	2218380817	ULYAYRYMLQJABP-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(CC/C=C/c2ccccc2)c1	2219075405	CAAXUXZZLQMDMR-UXBLZVDNSA-N	236.358	4.949	0	10	BJAE	
C[C@H]1C[C@H]1CCC(N)(C1CCCC1)C1CCCC1	2220858689	GKOYXMHNKUYJPS-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CC(C)(C)C1)c1ccccc1	2221013556	LEZNCESYITYGQX-OAHLLOKOSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CC(C)(CC2(N)CCC(C3CC3)CC2)C1	2221037793	WYSSHLYYYIBCAN-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C(CC)CC)[C@H](C)c1ccc(C)cc1	2223968671	MENQXWBEFQJFJL-RHSMWYFYSA-N	247.426	4.513	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CC[C@@H]1CCC[C@@H](C)C1	2246661466	AGLRYFPKWDPJJH-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCC[C@H](C)C1)C(C)(C)C	2246664218	IDXVWSVGOZOEFA-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C)[C@H](C)CC[C@@H]1CCC[C@H](C)C1	2246731115	WSVIBCTWHKJTSU-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC)CCC1CC2(CCCC2)C1	2246821895	TXWPMLPEIIMDII-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCC23CCC3)c(Cl)c1	2247394342	NKVHVACZNCOMDV-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CC(C)C(N)(CCCCC[C@H]1C[C@H]1C)C(C)C	2248876169	AREDXWQGCHEMCC-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1[C@H]2CCCCC[C@H]12	2250357566	XAHIVSYWEHVTPV-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccc2sccc2c1	2250368763	DWPWTQGGQQLNBU-IAQYHMDHSA-N	247.407	4.727	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@@H](C)C1CCC1	2250489488	ZIKWDVJNVODUKO-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@](C)(O)CC1CC(CC(C)(C)C)C1	2251583503	WTHCXKZSMKYXLO-WLIAPVHPSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CC23CCCC3)C1	2253925761	WHJDHPBXAJWIIC-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN(C)CC2=CCCCC2)C1	2255135994	IZZIUZDGMUKBSV-CVEARBPZSA-N	249.442	4.635	0	10	BJAE	
N[C@@H](CCC[C@H]1CCCC12CC2)CC1CCCC1	2255265521	DSEWBGPQWHHMNW-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1cccc(C(C)(C)C)c1	2257960476	CZUXSZQGUXLXAZ-KBPBESRZSA-N	245.410	4.832	0	10	BJAE	
CC(C)CC[C@](N)(C[C@]12CCC[C@@H]1CC2)C1CC1	2260667774	DBQOHYXQULAIJS-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)CCC1CCCCC1	2298950228	RKSCBROAUYBTSR-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(O)CCCC(C)C)CC1	2300471878	LYUXGVGHYMUTII-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](CC(F)F)C[C@](C)(N)CCCC(C)C	2300504837	FVFRDXYSOICBQQ-TZMCWYRMSA-N	249.389	4.602	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H]1CCC[C@H](CC)C1	2300876571	HWHRODHRNPGMEL-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1C[C@@H]1CCC	2300883006	ZSGTVCVFLYTHHE-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC1CC(CN)(CC2CCCCCC2)C1	2301235798	GRAODPCKQLCJBF-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC1(C)C[C@@H](O)C[C@@H](CC2CCCCCC2)C1	2301240401	ZCUKWJMYZSZUQU-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H](C)[C@H](C)C(C)C	2301867820	VRJZXBIEDDYDQQ-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@H](C)C(C)C	2301898961	DTZWXCONRRVSAY-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
O=C(CCCCC1CC1)CCC1=CCCCC1	2301926492	PJJWFSPZJYJYDP-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCCN[C@@H](C)[C@H](C)CCCC1=CCCCC1	2302325397	HDCNBHKFHJSXKN-CABCVRRESA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@]2(C)CCCCN2)CC1	2302541994	HBBQOQNKIPAQMS-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@@](C)(O)CC2CCCC2)C1	2302710731	STWOPUYYBCMLFI-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CN)C[C@H]1CC[C@@H]1C(C)(C)C	2303475711	CSLSNBLQUZCKKF-YCPHGPKFSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CC)[C@@H](C)CCC	2303570426	MXWPBZINVTYZHU-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)Nc1cccc(C(C)C)c1F	2307573224	AYRJEXAIRIXKDY-LBPRGKRZSA-N	237.362	4.940	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1[C@@H](C)CCC[C@H]1NCC	2307902814	MSMGDEOPMOBBIR-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(CCC[C@@H]2C[C@H]2C)CC=CCC1	2310428675	PZAGAMLCOUPFLZ-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1CCCCN1C(CC1CC1)CC1CC1	2313609644	SSRKIZOSOXBZDV-MRXNPFEDSA-N	249.442	4.610	0	10	BJAE	
CCC(C)=CC[C@H](O)c1ccc2ccccc2c1	2316500896	DJQRZRZSRQEVQA-KRWDZBQOSA-N	240.346	4.620	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1C[C@@H]2CC[C@@H]2C1	2316510563	NGYYACZWEVDLIC-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(=CCC(=O)[C@@H]1C[C@@H]1C1CC1)CCCC(C)C	2316561703	CEWUTOLTYYBHBF-HZPDHXFCSA-N	248.410	4.764	0	10	BJAE	
N[C@@H](CCC1CCCCCC1)c1ccccc1F	2316887025	UMWWDVVJFXLDPO-INIZCTEOSA-N	249.373	4.576	0	10	BJAE	
C1CCCC(C[C@@H]2CCN[C@H]3CCCC[C@H]32)CC1	2316941210	YKDGEVHCLSXYNO-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)NC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317039137	AUFYRJNVHLAMRT-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)C(=O)Cc1ccccc1C1CC1	2319149665	MSGATTFGBJQXSX-CYBMUJFWSA-N	244.378	4.502	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CCC3(CCCC3)C2)CC1	2320407206	YIUBVGBZRRZJPI-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H](C)[C@@H](C)C(C)C)c1	2320578946	XKMDQJVYUXWYPE-JJRVBVJISA-N	248.410	4.772	0	10	BJAE	
CCCc1ccc(N[C@@H](CC2CC2)C2CC2)cc1	2320616119	FXOWIGZKMKWOHY-KRWDZBQOSA-N	243.394	4.630	0	10	BJAE	
N[C@H](C1CCCCCCC1)[C@H](CC1CC1)C1CC1	2320805537	SOHCCFSARVEIQW-IAGOWNOFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CCNC2(C)CC3(CCC3)C2)C1	2321626061	RGCPDQSNIHBOJS-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)CN(CC)Cc1ccccc1C	2328087714	ZUDBFUVXPSIFOT-INIZCTEOSA-N	247.426	4.643	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)[C@@H](C)c1ccccc1	2328267917	DJIFGQBISWGKBE-ZMSDIMECSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1cc(C)sc1C	20482691	GDJQBJBPMOFGSG-GXTWGEPZSA-N	239.428	4.581	0	10	BJAE	
CCCCc1ccc([C@H](CC(C)(C)C)NC)cc1	35493117	VCDRPGJOJSNOOS-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@@H](CCC)c1c(C)c(C)cc(C)c1C	35581824	QCDURKNAJBIZGD-INIZCTEOSA-N	247.426	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@@H](C)c1cc(C)oc1C	37032491	CEGKUAGQNWHGPC-NOLJZWGESA-N	249.398	4.516	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H](C)c2ccccc2C)C1	83639700	OHDDGNFIHLHQHN-HRCADAONSA-N	245.410	4.614	0	10	BJAE	
COc1ccc(C)c2cc(C3CCCCC3)[nH]c12	84070982	AORSWEIHERNGPT-UHFFFAOYSA-N	243.350	4.533	0	10	BJAE	
CC(C)CNc1cccc(Oc2ccccc2)c1	109925945	KGMPFBSKZHBLHK-UHFFFAOYSA-N	241.334	4.547	0	10	BJAE	
CC(C)CCC(=O)Cc1ccc(C(C)(C)C)cc1	112883761	HJGTVTPDCXNNBN-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CCCCC[C@H](O)c1ccc(C(C)(C)C)cc1	112909333	ADPJSLWQTSKLSV-HNNXBMFYSA-N	234.383	4.598	0	10	BJAE	
CCC(C)(C)C(=O)c1cc(C)c(C)cc1Cl	122203628	PMTIDXBOCVFBFK-UHFFFAOYSA-N	238.758	4.576	0	10	BJAE	
CCC(CC)CN[C@@H](C)c1cc(C)c(C)cc1C	124833805	JQQATZOWUKYMDH-HNNXBMFYSA-N	247.426	4.699	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](C=C(C)C)NCCC	131049593	WSKJMMOXEWUOHP-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](c2nc(-c3ccccc3)cs2)C1	131833069	JLBQNIUMTVKVDU-YPMHNXCESA-N	243.375	4.714	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C(CC)CC	133440875	PXIRQXPIVJFUDG-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
C=C(C(=C)c1cccs1)c1cccs1	136487440	NQENBSZUCQDNRW-UHFFFAOYSA-N	218.346	4.536	0	10	BJAE	
CCC(CC)C[C@H]1CCCC[C@@H]1CNC(C)C	150088511	BRQSZHQXVDCGMH-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1C[C@@H](C)CC(C)(C)C1	219283424	HEAMUICFSNSULZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCc2[nH]c([C@@H]3CCCCC3(C)C)nc21	226774053	ZRMGXTYUOIFIML-NEPJUHHUSA-N	246.398	4.533	0	10	BJAE	
C[C@@H]1CCC[C@@H](S[C@H](C)c2ccc(N)cc2)C1	226910284	VAXYNJMBCHAZTD-LALPHHSUSA-N	249.423	4.642	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)c1cccc(CC)c1	228856171	QFZSODGOCPBHTL-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@@H](C)CCC	232914176	LQYSIVCFLJOWSW-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](C)NCC(C)(C)C(C)C	232966590	HCQDMSGNCQMAJS-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC(c2ccc3c(c2)CCCN3)C[C@@H](C)C1	235375880	SNJRALVQDJNBBG-STQMWFEESA-N	243.394	4.584	0	10	BJAE	
Clc1ccc(Cl)c2c(Cl)csc12	238593960	QXDHNRWRYOZVEW-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
CCC[C@@]1(C[C@@H]2C[C@H]3CC[C@H]2C3)CCCCCN1	251200753	VFXBTEPSARISHO-QAETUUGQSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cccc(CC(C)C)c1	302437810	SZNLONMGQZSXRV-WMLDXEAASA-N	247.426	4.711	0	10	BJAE	
CCc1cccc(NC(C2CCC2)C2CCC2)c1	302628742	PTMXTDQPLDRSLF-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CCC[C@H](C)n1ccc2c(OC(C)C)cccc21	305893107	YRUFWRPRSWYBFA-ZDUSSCGKSA-N	245.366	4.790	0	10	BJAE	
CCc1c(Cl)cc(SC)c2sccc12	307441285	ZJHACOGBNKNWAJ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)[C@H]1CCC[C@@H](CC)C1	308031163	OPHFHIZJMFWDRE-UGUYLWEFSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)c1cc2ccccc2o1	308071017	RNGXZJZLCVDESF-LRDDRELGSA-N	245.366	4.505	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](CCC)C1CCC1	322758023	CFXNOZQTUJMXGN-GDBMZVCRSA-N	239.447	4.904	0	10	BJAE	
CC(C)CC[C@](O)(CC1(C)CCCC1)C1CC1	379913547	NNZLBBPPIIITSM-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCC[C@@]1(N)CC1CCC(C)(C)CC1	380236110	ZAVPYQINFLZOGU-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CSc1ccccc1C(=O)CC1(C)CCCC1	383504960	FWHFKMQVIOKJLP-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
Cc1cccc([C@H](C)N[C@H]2CCCCC[C@H]2C)c1	384456853	QGWUQMQWKJSYBK-VYDXJSESSA-N	245.410	4.614	0	10	BJAE	
Cc1ccc(C(=O)CC2CCC(C)CC2)cc1F	385286365	MXHDJFXJXBPOQE-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1cccc2ccsc12	386194968	CSUJGXSANYUNQC-DGCLKSJQSA-N	245.391	4.892	0	10	BJAE	
CCc1cccc(CC)c1NCC1(CC)CCC1	386275220	YFODSJJUHMHKIO-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CCC1(NCc2c(C)cccc2C)CCCCC1	389663099	USBLGKRMEXSKEV-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
C[C@@H](C[C@H](O)CC1CCCCCC1)C1CCC1	398528014	QSJCESJTOAQDFT-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@H](C)C(C)(C)C	399336681	XXEVWCXYUUHFRQ-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1cccc(C)c1C	401596174	VULKMCKTHTYADO-HOTGVXAUSA-N	245.410	4.932	0	10	BJAE	
CC(C)(CCC(=O)CC(C1CC1)C1CC1)C1CC1	405710261	DTBVIBLJJCKHJY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)C(C)(C)C)c1	687711749	ZTXMNJGOBYWJPJ-LBPRGKRZSA-N	219.372	4.657	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)CC1CCCCC1	689833650	WGBGFLPBPAOLAA-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCC(C)(C)C(C)(C)C	691098691	JIWPUOPDOVRANT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H](N[C@H]2CCCC3(CC3)C2)CC(C)(C)C1	695718889	XEQXVJFIPPMYDU-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCC[C@H](C2CC2)C1	696678974	QDSBGQWMOJTBDC-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(O)CCC(C)(C)CC	696803031	NXWAUWLCMDVXRY-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
C[C@@H](CC(C)(C)C)NC1C(C)(C)CCC1(C)C	699551268	RELMYLBZXBOSHI-LBPRGKRZSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@](O)(c1ccccc1)C(C)(CC)CC	701069788	ARVZYNBQVABKDY-MRXNPFEDSA-N	234.383	4.501	0	10	BJAE	
CC1(C)C[C@@]1(C)CN[C@H]1CCCCC12CCCC2	701992104	FUPHPSZCNBATRB-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCC(N)(CCC)CCCCCC(C)C	704822463	IKAUXYRWTNDMPS-UHFFFAOYSA-N	227.436	4.891	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H](C1CCC1)C1CC1	705300681	WZMJNYCLEZIUDP-OAHLLOKOSA-N	249.785	4.639	0	10	BJAE	
C1CCC(CCCN[C@@H]2CC[C@@H]3CCC[C@H]32)CC1	707861362	QLXDCTBDKAXDIJ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C/C=C/CCNC(C)(C)C)CC(C)(C)C	709077296	ABJPCWWVPPZODU-MYSGNRETSA-N	239.447	4.783	0	10	BJAE	
CCC1(C(=O)C[C@H](C)CC(C)(C)C)CCCC1	709099039	ASTDCYLXQKUVHK-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](O)C[C@@H](C)C(C)(C)C	710743378	WFBCOYFPFGVAOB-IPYPFGDCSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1C[C@H]2CC[C@H](C2)C1	711067774	IETIRWHFFOUASN-FICVDOATSA-N	243.394	4.801	0	10	BJAE	
C[C@@H](Cn1ccc2ccc(Cl)cc21)C(C)(C)C	711146165	DSKXQDFERGNARA-NSHDSACASA-N	249.785	4.977	0	10	BJAE	
C[C@H](CN[C@H](C)CC1CCCC1)CC(C)(C)C	712596826	KKUWRGNMIGIEHE-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)CNc1ccc(Cl)c(F)c1	713129765	MILVCTXIJBQQLI-UHFFFAOYSA-N	243.753	4.573	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1Nc2ccccc2C[C@@H]1C	713142686	WCCJPJQWJMRJKZ-BBRMVZONSA-N	245.410	4.732	0	10	BJAE	
CCCNC[C@]1(CC(C)(C)CC)CC=CCC1	713150431	GBIGSIYDQPEHFW-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)c1ccccc1C	713734699	LIGCVOHZDQQSKK-JTGQJZMRSA-N	243.394	4.558	0	10	BJAE	
C=C/C=C/CCc1ccc(Cl)c(Cl)c1	713736306	DUGWZULQLZGQEE-ONEGZZNKSA-N	227.134	4.668	0	10	BJAE	
CCCN[C@@H](CCC(C)(F)F)CC(CC)CC	714024526	DDBKQYPKTJCCJZ-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
C=C/C=C\CCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714390566	NYDPZEVDBOEYCW-MKWACEFDSA-N	246.394	4.684	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)CC[C@H]1CCC(C)C	717460363	BZIKXOGVLRTIAJ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C1=CCCC(N[C@H]2CCCC23CCCCC3)CC1	718135709	XXJLAYVRVBLNAE-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@]1(C)C[C@H]1C	718572811	FZIQAYTXYULKEA-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@@]1(N)CCC=CCCC1)C1CCCCC1	718979348	NSHGCFUEDFKDHX-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCCC2(C)C)c(F)c1	719259244	IQOJYITXHUXHNK-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CCC[C@H](C)[C@](N)(CC)CC1CCCCC1	720360450	UBYGJFUGHMIGCI-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(CC)C(=O)CCC(C)=C(C)C	721733520	YUMTVWAUXHALGQ-UHFFFAOYSA-N	210.361	4.518	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@H]1CC)CC(C)(C)CC	723137627	HHAKEBNXACQWBF-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1cc(-c2cscc2C(F)F)cs1	1889509711	KYYGDVMWHKTQNM-UHFFFAOYSA-N	230.304	4.723	0	10	BJAE	
CCC(CC)CC[C@](O)(CC)c1ccsc1	1900692273	BKKHJURVHRZYFY-CQSZACIVSA-N	240.412	4.562	0	10	BJAE	
CCC(CC)CC[C@@H]1CC[C@H](C)CCC1=O	1900715038	ZAKCLZTYZVTZMU-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCC[C@@H](CC)C1	1900872169	UTTUZKRZMDXUFV-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@@H](C)[C@H](C)C(C)C	1901681894	IYZREVOQIBTGII-NEPJUHHUSA-N	240.774	4.708	0	10	BJAE	
Cc1cc(-c2ccc3ccccc3c2)cs1	1901897099	KFORQHZMXPXLKC-UHFFFAOYSA-N	224.328	4.877	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)CCCCC1CC1	1902155196	DYSGDULYOIAEPC-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)C[C@H](N)CCC=Cc1ccccc1	1912034823	CLVDVLXUPBHRJP-MRXNPFEDSA-N	245.410	4.634	0	10	BJAE	
CC(C)c1ccc(NC2CC3(CCCC3)C2)cc1	1912725155	CIMCESXIKUAGFH-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CCCCCC[C@@H](O)C1CC2(CCCCC2)C1	1912725946	FSJIGABWXBHAFV-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(N)CC3(CCCCC3)C2)C1	1912729417	SDPPKCPVIJJBDF-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H]1CCCCCCCC[C@H]1NC	1913391730	KKTNZNAQLVPOHC-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)C[C@@H]1C=CCCCC1	1925806338	DXWPAGMDAJUJQI-UGUYLWEFSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@H](CC)CNCCC(CC)CC	1926174048	CVDCXMTYPDXZRL-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCC(CC)C[C@H](N)CC(C)(C)C(F)(F)CC	1926383919	OTJGDVWOVYHJTE-LBPRGKRZSA-N	249.389	4.602	0	10	BJAE	
CCC[C@H](C(=O)CC(C)(C)C(C)C)C(C)C	1936212535	NYWIXQGPCPBJBF-ZDUSSCGKSA-N	226.404	4.700	0	10	BJAE	
CC(C)(C)C(=O)CCCC1CCC=CCC1	1936553773	KMMACODPDRUELQ-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CC(C)C(C)(C)NC1CCC(C(C)(C)C)CC1	1940190971	ACIUTWUEXHPIQL-UHFFFAOYSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CCCC2CC2)CC1	1941583924	KDPSYVJXXPJBTN-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CCCCCC1CC1	1941585605	GSHNRSIQOSOYEW-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC1(CCC[C@@H](O)C(C)(C)C2CCCC2)CC1	1944624232	XMOIYLULAVPFBT-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCC[C@H]1C(C)C	1947416636	BOKCSTUKJWGURV-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)CC1(C)CCCCC1	1948321133	FMPREHONYWGYFD-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)[C@@H](C)CC(C)C	1948324901	DHGQSNAJDUZMJR-WCQYABFASA-N	237.362	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@H](C)CC(C)C	1948324920	DMGRRWPNQMJRFI-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CCCC2CCC2)C1	1949013608	OGKRMLLEYVPARA-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCCC1(N)CCCCCCCCC1	1949029677	KRGIMHRCMPDCSX-UHFFFAOYSA-N	237.431	4.955	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CCC1=CCCCC1	1949044311	VMFMIVIZJCNINP-ZBFHGGJFSA-N	237.431	4.811	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC1CCC=CCC1	1949080985	BXVVALJLJSQEFW-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(CC)[C@@H]1c2ccccc2NC[C@H]1C	1949094391	OAJVIMPQAAVTBH-DOMZBBRYSA-N	231.383	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2CC=CCC2)CC1	1950926116	ZVRRWPXBRQLRHH-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CC(C)=CCC[C@@H]1CCCCC1(F)F	1956821760	MDOVFEBWGOMQEE-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cc(C)c(Cl)s1	1960260039	ZVIZMUXDBRDSHJ-SNVBAGLBSA-N	246.803	4.570	0	10	BJAE	
Cc1ccc(F)cc1O[C@H]1CCC2(CCCC2)C1	1968606495	AOTYGVCWIBUDIM-AWEZNQCLSA-N	248.341	4.626	0	10	BJAE	
CCOc1cc(N[C@@H](C)C(C)(C)CC)ccc1C	1969242036	IKWIZOFJOSGQII-ZDUSSCGKSA-N	249.398	4.630	0	10	BJAE	
CC[C@@H](N[C@H]1CC[C@@H]1CC(C)C)c1ccccc1	1969296674	XSCAYSCAZNQXLQ-ZACQAIPSSA-N	245.410	4.552	0	10	BJAE	
CC(C)(C)CCC(=O)C1(C)CCCCCC1	1978450239	MPGQCTKCRSKOPI-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CN(CCCCCC1CC1)C1CCCCCC1	1995784302	ZPQRSSBQWBLAFF-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC(C)C(N[C@@H](C)C1(C)CCCCC1)C(C)C	1995989236	VRGRAUPHDVOILM-AWEZNQCLSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@@H](CC)C1CCCCC1	1996595214	UBDBFTZICIINTH-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1ccccc1C(C)C	1996612302	IDWCBDFOFNDBPE-HNNXBMFYSA-N	233.399	4.636	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H]1CC=CCC1)NCC	1996613283	PSENCGBTIVRMPO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)C2(C)CCCCC2)C1	1997013051	AEZXWKDKJRRMJT-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC)NC1[C@H]2CCC[C@H]1CC2	1997573456	PYVXSFVSSQDLMA-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H](C)C1CC(C)(C)C1	1998649794	KKCJEWCBMVIMIK-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@H](C)C2CC(C)(C)C2)c1C	1998658647	TYYQGDRANLSSKH-CYBMUJFWSA-N	231.383	4.540	0	10	BJAE	
CCCC1([C@@H](CCCC(C)C)NCC)CCC1	2000377057	SIBCZEXPEWVFOR-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](CC)(CCCCCF)CNCC	2000505603	SLZNPXCYHCLEBD-HNNXBMFYSA-N	245.426	4.712	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1[C@H]2CCCCC[C@H]21	2002164553	HCDAVTDVQDBDCC-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H](C(F)F)C(C)(C)C	2002434899	CTZAYYHYMAWUAU-SNVBAGLBSA-N	248.357	4.699	0	10	BJAE	
CCN[C@H](CC1(C)CC1)C1(C)CCCCCC1	2002518754	FXZHDAGQMACAKH-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@@]1([C@H](C)CC)CCCC(C)(C)C1	2002993834	OCRSVFQRUYFHGO-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H]1CCCCC1(C)C	2004226053	GHPATUHOLSKFIL-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCC[C@H](CC)C1	2004711907	OMSCOUQHRFWNIA-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](N[C@H](C)C1(C)CCC1)C1CCCC1	2004822416	NTPOBZCYRALXKA-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1C(CC(=O)C2(C)CCCCCCC2)[C@H]1C	2004941972	NLAXXZQGTQMTHY-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CO)CCCC12CCC2	2005570389	KDGITPWKZNNSQK-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCC1CC(C[C@@H](O)C[C@H](C)CC(C)(C)C)C1	2007763523	LLOONIKZDIYCOW-PPWQZUPISA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCCCC[C@]1(O)C=C1CCCCC1	2007922957	XRCJDVYDTDZDPH-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
C/C=C/C[C@@](CC)(CCCC)CNCC(C)C	2008064086	ZYTXQUMZEBOLLO-FSNWXROXSA-N	239.447	4.785	0	10	BJAE	
C/C=C/CCCC(=O)C1(CC(C)C)CCCC1	2009572587	NOCQLEFYTPVNIG-SNAWJCMRSA-N	236.399	4.908	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H](C)C(C)(C)C	2009630899	YHQDPLUWUKDFPM-VIGJRRFGSA-N	239.447	4.783	0	10	BJAE	
CCN[C@@H](CCC(C)C)C1=CCC(C)(C)CC1	2010717333	PFPMGHOHXLMTKL-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H]1C[C@@H](NCCC)CC(C)(C)C1	2012042247	SBHGNTBKFBUGAK-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@](N)(CCC(C)C)[C@@H]1CC[C@H](C)[C@@H](C)C1	2013275311	ZQKHAMYLJPZNCV-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CCc1cccc(N[C@@H](C)C2(C)CCCC2)c1	2014336047	AQEYDWGHSAZGDW-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)C)C1CCCCC1	2015270732	LFSZZWYNPSDGJE-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC[C@@H](O)[C@@H](C)C(C)(C)C)C(C)C	2015337440	ZBTAAJVHCQADSZ-UKRRQHHQSA-N	242.447	4.738	0	10	BJAE	
CCCC1([C@@H](C[C@@H](C)C(C)C)NCC)CCC1	2015403206	YAJVNJFZOLHKSG-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC[C@@H]1C1CCC1	2017041816	DMMNQIITLPPJEP-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1(C(C)C)CCC1	2017137194	SXMLNHMBOCKYIE-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@@]1(CC(C)=C(C)C)CCC[C@@H](C)C1	2017465105	DNCAOSWYQYCIPO-ZBFHGGJFSA-N	237.431	4.539	0	10	BJAE	
CCCC1CCC(C[C@@H](O)C[C@H](C)CC)CC1	2017651535	VMMQJEPONPAZMC-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(CC[C@@H]2CCCCN2)CC1	2017737231	NGGAKEKAIBRTKP-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2CC[C@H](C)CC2)CC=CCC1	2017772743	SKHMRAVGUCRTQP-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CC1CCC(CC)CC1	2017776324	NLWYNGCIDSVQIA-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@@](N)(CCC)C2CCCC2)CC1	2018977415	WHNAEHNMEREHOF-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC1(C[C@@]2(N)CCC[C@@H](CC(C)C)C2)CC1	2018982483	MNNRCCIMMMPRRS-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](NC)C2CCCCCC2)CC1	2018991092	JDBBBXCYHWNSDQ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@H](C)C(C)(C)C	2018993046	YZDKPULHBHQNND-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)[C@@H]1CCCC(C)(C)CC1	2019387204	UCPXZIPZJLHFMO-RRFJBIMHSA-N	239.447	4.712	0	10	BJAE	
CCCCN(CCCC1(C)CC1)C1CCCC1	2020537574	PAVNNBCGPJZLJT-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCCN(C1CCC1)[C@H]1CCCC[C@H]1CC	2020635393	LTMCJBHBYXFOOS-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1C[C@H]1CCC	2022381445	FFHQZPGLZAPGQG-ATXAQRJXSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1C[C@@H]1C(C)C	2022478234	SAPWRFLGVVDZCO-UKRRQHHQSA-N	231.383	4.514	0	10	BJAE	
CCCCC[C@H](C[C@H]1C[C@H]1CCC)NCCC	2022486758	YMKUUJAUQLVCIZ-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2CCC2(C)C)C1	2024102866	WPOPBIVFKLBEAZ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@@H]1CCCC(C)(C)C1	2024124660	QOVWPBYAGWSMHS-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCCC1CCC1	2026168252	YUAAQVYCUZBARO-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1cccc(C2(C)CC2)c1	2028557183	LNJZRBBPEPESOB-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@@H](C=Cc1ccccc1)C[C@@H](C)CC	2028574641	ZGRMVFZHPNWHBT-RDJZCZTQSA-N	245.410	4.504	0	10	BJAE	
CC1(C)C[C@@H](Nc2cccc(F)c2)CC2(CC2)C1	2030285551	ALUAQIIXMWGGSI-CQSZACIVSA-N	247.357	4.597	0	10	BJAE	
C[C@@H]1C[C@H](C[C@H]2CC[C@H](F)C2)c2ccccc2N1	2032949093	RABXKCCACANSEF-SYQHCUMBSA-N	247.357	4.503	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CN[C@H]1CCCC2(CCCC2)C1	2034364192	RCBCXLVXJGFACP-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CNC[C@@H]1C=CCCC1)C1CCCCC1	2035589597	HFMMQIVUCIEZEF-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC(C)C1CCC([C@H](N)C[C@H]2C=CCCC2)CC1	2035596883	APGUMQMPALOITH-ZGRYLRDCSA-N	249.442	4.523	0	10	BJAE	
C[C@H](C[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1)C1CCC1	2037161258	YWQSPMFRMVWIKK-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@@H]2C[C@@H]2C2CC2)CC1	2039369476	JQMPNUXZSRCZFP-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2C=CCCCC2)CC1	2039374202	KLEHXZWYFCABOS-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C[C@H]2CC=CCC2)CC1	2040644148	KJWJRTSYFKGIOU-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
O[C@@]1(C[C@@H]2C=CCCCC2)CCCC2(CCC2)C1	2041290632	RYIGYKQWTWWGMM-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C[C@](C)(O)CCCC(C)(C)C)cc1	2041820066	KIVFFGYAYLQIBX-QGZVFWFLSA-N	248.410	4.505	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCCCCC[C@H]21)C1CCCC1	2047438268	RMSREHKIWDCUTR-RKTXRCNFSA-N	249.442	4.514	0	10	BJAE	
O=C(CC[C@@H]1[C@H]2CCCCC[C@H]21)CC1CCCC1	2048464574	WNTMUWCYMPGJSW-FVQHAEBGSA-N	248.410	4.742	0	10	BJAE	
CC(C)NC[C@]1(CC2(C)CC2)CCCC12CCC2	2048878607	ZVPDZARCXFAKDR-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NCCC1CC=CC1)[C@H]1CCCC(C)(C)C1	2049536012	IZVOXQUYCFBZCN-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCC2(CC1)CC2)C[C@@H]1CCCCN1	2049849582	RJLQKEDBPZPHBN-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
O=C(CC[C@@H]1CCCC2(CC2)C1)CC1CCCC1	2049949625	AIZGQJSUYDWPPY-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@]12C=C[C@@H](CC1)C2	2050005240	FABUAVBQKQUJPH-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CCC(C)(C)CC1)[C@@]1(C)C=CCC1	2050007767	FVWUZZBHDIRRAF-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)CC[C@@H](NCC)c1ccc(C)cc1	2050431562	RLHRSKIANICJBW-WMLDXEAASA-N	247.426	4.862	0	10	BJAE	
CC(C)(C)NC[C@]1(CCC2CC2)CCCC12CC2	2053358887	MARBAJVYBHRSKL-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@H](N)C[C@@H]1C=CCCCC1	2056447529	JTVHBDYWACRYST-LTIDMASMSA-N	249.442	4.523	0	10	BJAE	
CN[C@H](C=C1CCCC1)[C@H]1CCCC(C)(C)CC1	2056866884	APHSQLIFQMTXKI-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)C1(C)CCC(C)CC1	2056875954	LUTPOGPOVNSTIV-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H]1C[C@H]1CC(C)C	2056876700	SOUYJGPFYCQHLT-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CC(Nc2cnccc2C(C)C)C1	2058828777	ZFQHSGRVBKYLBH-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
CC=CCCC[C@@H](O)c1ccccc1CC(C)C	2059221448	NERUMBKUBJUISJ-QGZVFWFLSA-N	246.394	4.665	0	10	BJAE	
CCc1cc(C(F)F)cc(C)c1C(F)(F)F	2060359467	KUFKZXKFBHNKFG-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C2=CC[C@H](C)CC2)CC1	2060914999	WNSKODALEWYEIJ-ZMSDIMECSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC([C@H](N)C2=CC[C@H](C(C)(C)C)CC2)C1	2061091450	JENAGVOGRQZLCU-LSDHHAIUSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC=C(C[C@H](N)c2ccccc2C)CC1	2061142996	HFCAOAVTDLCNIU-YOEHRIQHSA-N	243.394	4.521	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC[C@@]23CCC[C@@H]2C3)CC1	2061574271	FNSQVDLNXAOICA-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC1CC2(C1)CC21CCC1	2064110828	HPFTZPUCOYOLAZ-FSOQPWQOSA-N	249.442	4.514	0	10	BJAE	
NC(C1CCCCC1)(C1CCCC1)C1CCCC1	2065937043	CFLNGQGESXBABH-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)CC12CCC(CC1)CC2	2068281346	UWPRIASHGMTZBW-BYLPVYNFSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](O)c1ccc2ccccc2c1	2068841341	FZEJUQGPDLHQBP-GUYCJALGSA-N	242.362	4.555	0	10	BJAE	
Cc1cccc([C@H](N)CCC(C(C)C)C(C)C)c1	2068995751	RBPWUPQCPPCIRD-QGZVFWFLSA-N	247.426	4.703	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)C[C@@H]1CC12CCC2	2069196198	GEQOOJBIHNQZIG-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(CC(=O)C[C@@H]2CCC[C@@H]3C[C@@H]23)CCC1	2071922865	WSMOVENKYQNUST-LZWOXQAQSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C[C@H]1CC[C@H](C)CC1)[C@]1(C)CC=CCC1	2072793510	KQKSTLMHDGGXIX-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C[C@@H]2CNC3(CCC3)C2)CC1	2072814784	GBDIUCMBPJTLBT-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H]1C=CCCCC1	2076588103	VAHONMUWTLPRSP-MRXNPFEDSA-N	249.442	4.920	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1CCC2(CC2)C1	2078345347	CSAUQPOSZFFJQX-ZDUSSCGKSA-N	243.394	4.729	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@H]1C[C@@H]1C(C)(C)C	2079625905	GUZNBPMDHHJTOG-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
O=C(CC[C@@H]1C[C@H]1C1CCCCC1)C1CCCC1	2079859435	BLINMLVUJCCOCH-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2C[C@H]2C2CCCC2)CC1	2079867808	VSKFXFNEQCDDBZ-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H]1CCCCC1(C)C	2080221394	SFAFHGNLEWZJAD-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CNC(C)(C)C)[C@H]1C=CCC1	2081682143	OBQVPPFDKYBBNV-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@H]([C@@H]2CCC3(CCCC3)C2)C1	2083031108	AXILIYSOOTUMIQ-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@H]([C@H](N)c1cccc(C(C)(C)C)c1)C(C)(C)C	2083540865	DMQPMRCUONOAHH-DOMZBBRYSA-N	247.426	4.666	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C=Cc1ccccc1	2086060981	RRZTVZHTTUFTCN-RDJZCZTQSA-N	246.394	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@H]2C3)CC1	2086162067	JOBKPFGVLHFESB-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)C[C@@H]1CC12CC2	2086350552	LYZSHHXLVACCSX-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1sc(C)c(C)c1C	2211700876	VMNCAHONHIRBHA-SECBINFHSA-N	238.396	4.682	0	10	BJAE	
CC1(C)CC[C@@]1(CN)CCCCCCC1CC1	2213572815	AHWKKQGJNGZDJN-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
Cc1csc([C@@H](N)C2=CCCCCCC2)c1C	2213653637	FZAQVHTTZLWZQN-AWEZNQCLSA-N	249.423	4.645	0	10	BJAE	
FC1(F)CC=C(CC=Cc2ccccc2)CC1	2213824343	FJFGHTWPVXTJLT-UHFFFAOYSA-N	234.289	4.836	0	10	BJAE	
CC(C)(C)CCCn1ccc2cccc(F)c21	2214769108	LALJTWDBJMDWFO-UHFFFAOYSA-N	233.330	4.607	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@@H](N)C1CCCCC1	2214777011	PRMRLBPKHMMBIO-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1cccc2ccsc12	2215308763	YVJWKXAPKMYBNH-DGCLKSJQSA-N	245.391	4.749	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)CC1(C)CC(C)(C)C1	2215382755	HCHDEGBDHQYPAV-CJNGLKHVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)[C@H](CC1(C)CC(C)(C)C1)NCC	2215401107	MOPFLCLRVZAZOA-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC)CNC1CCC1	2217123901	CFTAKJZEKHUEAW-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC(C)(C)C)CCC[C@H]1C	2217126213	AEFSJPJQUHBMKT-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CN[C@@H](C)CC)(C(CC)CC)C1	2217126793	BYKYGNJHDKANDK-HLIUYOAVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218378137	OFJNQXOMTZCKCE-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](O)(CC=Cc1ccccc1)C(C)(C)C	2219050527	MGHWAQSKEBFFCD-KRWDZBQOSA-N	246.394	4.667	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](O)c1ccccc1C(C)C	2220858369	DUYHANZACPPLRX-KEYYUXOJSA-N	246.394	4.670	0	10	BJAE	
CCCCC1CC(NCC2(C)CC3(CCC3)C2)C1	2220939588	PWTWFJXSYHMZCI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CCN1CCCC12CCCCCC2	2220984084	GRYLITUFVZRFDV-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H](C1CC(C)(C)C1)[C@@]1(C)CC=C(C)CC1	2221627346	AZDJPZJRNXABNK-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)[C@H]1CCCCC1(C)C	2221993170	IGINPLCIRCYDEB-GDBMZVCRSA-N	245.410	4.520	0	10	BJAE	
C(CCCC1CC1)CCCN1CCC[C@@H]2CC[C@@H]21	2223107773	ZDKGYAYUHYACHX-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
C(CCCC1CC1)CCCN1CCC2(CCC2)C1	2223111910	XNHMIHHYJOERHQ-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCN[C@H](C)C[C@H](C)CC[C@@H]1CCC[C@@H](C)C1	2246660819	UAXYYWVEBRMWRU-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CN(C)CC[C@H]1CCC[C@@H](C)C1	2246679368	NWSQHAZBGMMBNH-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2CCC(C)(N)CC2)C1	2246680933	NKJQYBPKXXGRQD-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](O)C1(C)CCCCC1	2247161443	AXNRYFBGNBZFLT-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@]1(N)CCCC(C)(C)C1	2247175240	ISOCPQBQJOUNMZ-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C[C@H](N)CC1=CCCCC1)C(C)(C)C	2247466533	BDZSZBNGJSBOHP-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
Cc1nc(CC2=CCCCC2)sc1C(C)(C)C	2247514786	OPFGWHLNEMHFPU-UHFFFAOYSA-N	249.423	4.792	0	10	BJAE	
CC(C)(C)C(NCCCC1CCC1)C(C)(C)C	2247757809	SGMHWZFDXZWWQP-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCCCC[C@@H]1C[C@H]1C)C(C)C	2248807181	IYCLDNKKCXYJQJ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@@H](C)CCC(C)C)cc(C)c1C	2249491181	ODBYBYVGAOGKOI-AWEZNQCLSA-N	233.399	4.848	0	10	BJAE	
CCC[C@H](CC)C(=O)C1CC2(C1)CC(C)(C)C2	2250354248	BEPRMYORAFNQEH-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@H]1CC[C@H](CC)CC1	2250357446	IFXCVCXXTUBUBC-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cc2ccccc2s1	2250361416	MTHCUTHFHNBTJQ-ABAIWWIYSA-N	248.391	4.761	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CC1)[C@H](CC)CCC	2250364119	DBRHLWHKMPVHLC-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CN[C@H]1CCCC(C)(C)CC1	2250384736	COBDUEOJFHAWOD-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](NCC[C@H](C)CCCC(C)C)C(C)C	2250490188	GNBZHFKQWYJHHP-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CN[C@@H](CCC[C@H](C)CCCC(C)C)C1CC1	2250528774	NWVHRKKKYMCXMK-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)C[C@]12CCCC[C@@H]1CC2	2251175745	NXUZKAPFCWOSNA-OWCLPIDISA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)CCN(CCC(C)C)CC(C)C	2252640008	ORTMEQHTHIXAKJ-UHFFFAOYSA-N	241.463	4.817	0	10	BJAE	
CC1(C)C[C@]1(C)[C@H](N)CC[C@H]1CCCCC12CC2	2253839529	OBEXSXVJXXCMEO-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C2(C3CCC3)CC2)C1	2253938702	NIHOWVLHQDJDQY-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CC1CC2(CCCC2)C1	2254105336	FJYXBAUSWLBEIM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNC1(C2CCCC2)CCC1	2254530820	KQQPYPQKOVVKRW-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C12CCCC1CCC2	2254569872	SZKQMXUIHSRIMZ-JFBXJRRNSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(N)(C1CCC1)C1CCC1	2254609415	MGMXHIVVMRLBSG-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(N)(C[C@H]2CCC23CCC3)C1	2255029244	ZHSGGYIRXFFALU-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)CC[C@H]1CCCC12CC2	2255332286	SKZVWHXRVWUEDL-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](C)[C@@H]1CC12CCC2	2256443456	OMVKTQXMOPSJLO-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1C(=O)C[C@H]2CC[C@H]1C2	2257315811	NROGXNFXSWZTTN-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@H]2C2CCC2)cc(C)c1C	2258233488	OGUKBCJJTMORSC-IRXDYDNUSA-N	243.394	4.602	0	10	BJAE	
CCC1CCC(CN)(C[C@]23CCC[C@H]2CC3)CC1	2260673869	TWVLLZXTDDFPMX-ODZFXCKXSA-N	249.442	4.502	0	10	BJAE	
CC(C)C[C@]1(C[C@@]23CCCC[C@H]2CC3)CCCN1	2260677127	CUPFQCJPCLRJCL-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@]12CCCC[C@@H]1CC2	2298722582	POVWHNYOXJURQF-FMKPAKJESA-N	236.399	4.742	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@@H](C)CC1CCC1	2298850846	NGCYEZUTOSEZQZ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC=C(C)CC)C(C)(C)C	2300909123	KVGWRGNDBHXNHC-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CCC(C)=CCC(=O)C1CC2(CCCCC2)C1	2300928696	IAAWWEMZZVSPBX-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC1CCCCCC1	2301148763	YQBDTJAVIHMZPQ-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CC[C@@H](O)[C@@H](CC2CCCCCC2)C1	2301238834	KLCAVWYACUXJEI-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCCCC1=CCCCC1)C(C)C	2302358848	KRMRUTIAMQSQPJ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H](C)CC	2303578078	WQGXGRIECWWHQQ-DAXOMENPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](N)(CC)C12CC(CC(C)C)(C1)C2	2304397981	ZXFVDAYCDWTYMX-UYSNPLJNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)C(C)(C)C(C)C	2307906871	JDLRKLISFXVEIY-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309184142	ARXUHQVYVMPVOC-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@H]1C)[C@@H]1CC=CCC1	2310430882	DHYMQZUXITVNIW-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@@H]1c2ccccc2NC[C@@H]1C	2311571545	JVXLFXKLGGGQDY-SDADXPQNSA-N	243.394	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]23CCCC[C@@H]2CC3)C1=O	2313322197	CIAUQLLAZYPNMO-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
CCC(C)=CCN1CCC[C@@H](C2CCCCC2)C1	2316518326	HUEFVWDFBOEHDW-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)c1occc1C	2316871982	GVSRSEHVWUOPSI-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N1CC=CCC12CCCCC2	2318010495	FZBXDIWRDKLSSY-CVEARBPZSA-N	249.442	4.632	0	10	BJAE	
CC[C@H]1CC=C[C@@](O)(CCCC2=CCCCC2)C1	2318547474	BXFXPYRFKDZZQI-DOTOQJQBSA-N	248.410	4.764	0	10	BJAE	
CCCN[C@H](CCCC1=CCCCC1)[C@H]1C[C@@H]1C	2318575110	BNHQHIOAYVBVLJ-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CN(CCCC1=CCCCC1)[C@@H]1C=CCCCC1	2318580107	KIQHJOSRDSRTCW-QGZVFWFLSA-N	247.426	4.698	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)CC1CC=CC1	2318885017	JDMASWHYVVJSRN-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C(CC1CC1)CC1CC1	2318930707	OEPSHNFYOPTWFF-WFASDCNBSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(N)(CC[C@H]2CC[C@@H]2C2CC2)CC1	2319741888	SALUVTSXSHQAFY-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CC1CCC=CCC1	2320152654	NEVNTNSCTIXGGG-HUUCEWRRSA-N	248.410	4.764	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC[C@@H]2C(C)(C)C)c(C)c1	2320240079	JSENPXMUHTVOEE-GJZGRUSLSA-N	245.410	4.788	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(O)CCCC3(CC3)C2)CC1	2320339651	GGRUFBQUSFJYLO-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC2(CN)CCCCCC2)CC1	2320348476	QRJYJBHQVRWLNY-MRXNPFEDSA-N	249.442	4.812	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](O)CC2=CCCCC2)CC1	2320408884	OVCMZJSMIAWADH-SJORKVTESA-N	248.410	4.764	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](O)c1cccc(C(C)C)c1	2320588457	QLZWLGVCFPNMSU-DJIMGWMZSA-N	246.394	4.670	0	10	BJAE	
CCc1ccccc1NCC[C@H]1CCC(C)(C)C1	2321599404	JSLJNFKZHUNHPK-CQSZACIVSA-N	245.410	4.877	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)c1cccc(C)c1C	2328283264	VYVYMMVKWRNUFZ-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
CC(C)CC[C@H](C)NC(CC(C)C)CC(C)C	21506667	YFDSVZZPUAKSFW-HNNXBMFYSA-N	241.463	4.862	0	10	BJAE	
CCc1ccc([C@@H](N)C[C@H](C)CC(C)(C)C)cc1	34960848	OUFWOGORWKOHLE-BBRMVZONSA-N	247.426	4.711	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)c1sccc1C	50328558	FBINFXRKUPCHCP-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H]1CCC[C@H](C)C1	70941487	KTUGJDMHDYCGEJ-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
CCCC1CCC(N)(C[C@@H](C)CCC)CC1	71084860	SIPXLVASQUJRAG-NFOMZHRRSA-N	225.420	4.501	0	10	BJAE	
COc1ccc([C@@H](C)c2ccccc2)cc1Cl	75841878	XIOSMLBELZRSPH-NSHDSACASA-N	246.737	4.500	0	10	BJAE	
CCCCC[C@@H](O)C[C@H](CC)CCCC	78138316	YOIYKKLGDLFRMF-ZIAGYGMSSA-N	214.393	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](N[C@@H](C)c2ccc(C)cc2C)C1	80457467	WXSWYZNJPRTAIM-JYJNAYRXSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CC[C@H](CC)C1	88011347	LUVWPGGZLRQMRP-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)CNC[C@@H]1CCC[C@H](C)C1	89604707	IHBMFEZHZCVGRH-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCCCOc1ccc(C(=O)CCCC)cc1	107771097	WZONDNBZNCKNNW-UHFFFAOYSA-N	248.366	4.629	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(OC)c(C)c1	110166691	QDAGRNSCRFOJIE-AWEZNQCLSA-N	249.398	4.632	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CNCC(C)C)CC(C)C	110184000	SRRINVVVMIBXAU-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CCCC(CCC)[C@H](N)c1cccc(Cl)c1	122216162	XIIDDWZWHJZVGV-AWEZNQCLSA-N	239.790	4.556	0	10	BJAE	
CC[C@H](C)SCc1nc([C@H](C)CC)cs1	132244285	BXJCWMUQSMZPTF-ZJUUUORDSA-N	243.441	4.688	0	10	BJAE	
CCCCCC[C@H]1CC(C)(C)CC[C@H]1CNC	135188942	INYJFPJVZVWMFY-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cc2cc(C)ccc2o1	139141340	FKEQZITWUFNCKO-CQSZACIVSA-N	246.350	4.601	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cccc2ccccc12	148302844	MNHLILOZODJFAS-QGZVFWFLSA-N	241.378	4.666	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)NC[C@H](C)C(C)(C)C)c1	162658287	ZLYUDKYDDNWRFC-LSDHHAIUSA-N	247.426	4.636	0	10	BJAE	
CCCCC[C@H](O)[C@@H](c1ccccc1)[C@@H](C)CC	168402967	SXCRKURYVASPPE-BHYGNILZSA-N	248.410	4.758	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1scc(C)c1Cl	233274555	MGAJULMLBDXGNX-PSASIEDQSA-N	246.803	4.570	0	10	BJAE	
CCC[C@H](CC)Nc1cccc(Cl)c1C	233349141	RNGZFQUVCNUIRX-NSHDSACASA-N	225.763	4.639	0	10	BJAE	
Cc1cccc2c([C@H]3CCC[C@@H](C)C3)c[nH]c12	235358025	QDYBZLJSAMQHLL-YPMHNXCESA-N	227.351	4.770	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@H]1C[C@@H](C)C[C@@H](C)C1	250560296	WKHUVENDABEXFU-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
Cc1nc(-c2coc3ccccc23)sc1Cl	259099383	AOLNNPLXRVWPOX-UHFFFAOYSA-N	249.722	4.518	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C2(C)CCCCC2)C1	300245407	WVSLQPFIFRJBAV-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@H](C)CC(C)C	302593698	UUNZPKQRGZMXSR-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C1CCC(C(C)C)CC1	304411715	IQJMMMSXHFTZQE-NFOMZHRRSA-N	238.415	4.700	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@H](C)[C@H](C)C2)ccc1C	306031965	QABDHBDCDPIEHF-JGGQBBKZSA-N	245.410	4.794	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCC(C)(C)C)c(C)c1	310293379	KIEPWFCPTLXOMV-AWEZNQCLSA-N	233.399	4.930	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2CCC2(C)C)CC1	310401224	UOSWFJFNQNPOAH-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
NCC1([C@H]2C=CCCCCC2)CCCCCCC1	310749377	KFEAVGZFTXQOMM-INIZCTEOSA-N	249.442	4.812	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1	315243575	YOFKTAXPZVXRFG-WBTNSWJXSA-N	243.394	4.540	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CC2CCC1CC2	382005086	MIRZJXBBORZZIK-KVULBXGLSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc([C@H](O)CCCCCC(C)C)cc1	383130052	KPGRMXVPNHHMAF-MRXNPFEDSA-N	234.383	4.635	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCCC[C@@H]1CN	383245269	VRKSCNDNVIUPLT-HZPDHXFCSA-N	239.447	4.748	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@H]1CC[C@H](C)C1	383302868	UFFSAHJFVVKFHV-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](Nc1cccc(C(F)F)c1)C1CC1	386148861	IKTQTUXYYVPVNE-ZDUSSCGKSA-N	239.309	4.615	0	10	BJAE	
CC(C)[C@H](C)CNc1cccc2ccsc12	386266153	XLXOTBRAAJASKQ-LLVKDONJSA-N	233.380	4.605	0	10	BJAE	
CC(C)CC1(CN[C@H]2CCCC23CCCC3)CC1	391883164	VDQIHUKZCYDZMY-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(NCC2(C)CCCCC2)ccc1C	394603472	FBFCPHSGXTVMHX-UHFFFAOYSA-N	245.410	4.940	0	10	BJAE	
CCC[C@](O)([C@@H]1CC[C@H](C)[C@H](C)C1)C(C)(C)C	395312581	BPMDECIOOQSWLU-NHIYQJMISA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H]1C[C@@H]1CC(C)C	395682571	SEOKCZDFXIBQMJ-JYJNAYRXSA-N	239.447	4.602	0	10	BJAE	
CCc1ccc(N[C@H](CC)[C@H]2CC2(C)C)cc1C	397631895	OMKRKUJWBBWHDG-HZPDHXFCSA-N	245.410	4.794	0	10	BJAE	
C[C@H](COc1ccccc1C(C)(C)C)C1CCC1	398659230	NXRTWUAATZJMSH-CYBMUJFWSA-N	246.394	4.799	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@@H](CC)CC(C)C	398910002	KXUFZEUDFAUIBP-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1cc(C)ccc1F	401831218	MKNBMXRFIZAGMG-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CCCC1(CNc2ccc(C)cc2Cl)CC1	687546489	RAELPZXMEOMIEC-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCCC1CCC1	688405816	RYYMTRQYWVAMQU-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
Cc1cc([C@H](C)N[C@H](C)CC2CCCC2)c(C)o1	689757923	GNLASEJSDZBJRL-YPMHNXCESA-N	249.398	4.516	0	10	BJAE	
CC[C@@H](Nc1cccc(C2CC2)c1)C1CCC1	690100556	YNZAILOGFZRSST-MRXNPFEDSA-N	229.367	4.555	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H](C)C1(C)CC1	690190166	VCJAXUCUSWAZIE-ZDUSSCGKSA-N	245.410	4.720	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cccc(C(C)(C)C)c1	691674441	MGWKNKWPVCFUMR-STQMWFEESA-N	246.394	4.849	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@]12CCC[C@H]1C2	693150660	PYEZHGLZZFWGGR-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCCC[C@H]1C	696780949	HSQRKBWPGMMDBC-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCCC(=O)c1cccc2ccsc12	697851200	RIMLYWUIZYKTIX-UHFFFAOYSA-N	244.359	4.830	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@H]1C)C(C)(CC)CC	701146677	RRPHRMPCVACACI-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@H](O)c1ccc2sccc2c1	704921463	AWZCOQZJTAQWLL-AWEZNQCLSA-N	246.375	4.681	0	10	BJAE	
CCC1(C[C@@H](NC)[C@@H](C)CC(C)(C)C)CCC1	708297672	SEIRBJGDKVJNHA-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@@H](C)CC(C)(C)C	708297787	NLRFBBOIDMRZMB-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](C[C@H](C)C(C)(C)C)NCC)CC1	711154453	XXOSDTANTQICJB-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](N[C@H]1C[C@@H]2CCCC[C@@H]21)C1CCCC1	712463198	KGYFQGKGZKVPDO-NXOAAHMSSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@H](CNC(C)C)CC(C)(C)C)cc1	713138496	GGADBICEJKRVIK-INIZCTEOSA-N	247.426	4.513	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)CC(C)(C)C	713273681	XUUJKWYGBBVOMQ-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)CC(C)(C)C	713273682	XUUJKWYGBBVOMQ-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CNC(C)(C)C)CC(C)(C)C	713313176	AZGJSIVKVQYCJR-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CCC(=O)C1(CC(C)C)CCCC1	713674364	OJXGKYRYKVMPEG-WAYWQWQTSA-N	234.383	4.684	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C1(C)CCC1	720786053	HGVATAVMEKZRRF-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)C(C)(CC)CC	721749420	SLHOZAFHKVRFJG-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](N[C@H]1CCCC2(CC2)C1)C1CCCCC1	723559147	FFWIRMMAEFGGEH-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CC1CC(C)(C)C1	723596785	FLQZAZCXPDHWRT-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c(SCC2(C)CCC2)c1	1307259961	IAPOSIMMACTPKL-UHFFFAOYSA-N	220.381	4.586	0	10	BJAE	
CCN(CCC1=CCCCC1)c1cccc(F)c1	1459781535	CGTIWSOKSZPQTB-UHFFFAOYSA-N	247.357	4.543	0	10	BJAE	
CCC[C@H](NC[C@@H]1CCC12CCC2)C1CCCC1	1875450272	AGKDVSUGMXABCB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)N(C)CCC(CC)CC	1900705891	XAYGIKKYFYBIEC-HNNXBMFYSA-N	227.436	4.713	0	10	BJAE	
CCC(C)=CCc1cccc(C(C)(C)C)c1	1900903386	NKORLDDWPDVZOT-UHFFFAOYSA-N	216.368	4.883	0	10	BJAE	
Cc1sccc1OC[C@H]1CC[C@@H]1C(C)(C)C	1904933901	VLOIMQRBWGAKDI-NEPJUHHUSA-N	238.396	4.508	0	10	BJAE	
CC(C)c1ccccc1OCCC[C@@H]1C[C@H]1C	1908538918	BHOOIUKDWCBZKR-ZIAGYGMSSA-N	232.367	4.625	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1C[C@H]1CCC)NC	1910739710	HQEDPFBSYVOLDG-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCC=CCCNC(C)(C)C	1911689236	SYNVOPDBDJAKHA-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C1CC2(CCCC2)C1	1912644073	DFGFWMCGIDDIOR-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CNCC[C@]12CCC1(CCCCC1)C2	1915925141	RGOKSMYCUKLUES-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CCc1ccc([C@@](O)(CC)[C@@H](C)CC(C)C)cc1	1919609992	BKLCIAQQHMLIJX-WMLDXEAASA-N	248.410	4.529	0	10	BJAE	
CCc1ccc([C@@](O)(CC)CC(CC)CC)cc1	1919610331	GAOYCQJRLHARMP-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(N)CCc1ccccc1	1920436197	SNVPHNQRJYDLRU-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H]1CCCC12CCC2	1921605348	NSXHDMZIMVYHRO-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(CN)CCCC23CCC3)C1	1921655989	CCVXRJOEDFNCIR-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H](C)C2CCCC2)c1	1923881482	IDHOJITWWMZORK-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
C[C@H](C(=O)CC[C@@H]1C[C@H]1C1CC1)C1CCCCC1	1924081842	TZBJRJVRMUNLOD-MAZHCROVSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCCCCC(=O)C1(C)CC(C)C1	1936671638	IASJPKLXKKQJAR-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC2(C)CCCCC2)C1	1940378136	IZKXJNJEOSZSRI-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC[C@@](C)(CNC1CC1)CC1(C)CCCCC1	1940409358	WZYDOIPUHUWKIN-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCNCC(C)(C)C1CCCCC1	1940763123	OLYCFMLDPUQJBK-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H](CC)C(C)C	1941268778	JJZRZZOLHGSDSN-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CCCCCC1CC1	1941586365	YKYFPUIVWRQRGO-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CN[C@@H](C1CCCCCC1)[C@H](C)CCC(C)C	1942661992	MZYHLXXXBVWLHD-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)[C@@H](C)CCC(C)C	1942662982	YPOZRPSCZRGHHW-XHSDSOJGSA-N	242.447	4.882	0	10	BJAE	
CCCCCCC(=O)[C@]12CCCC[C@H]1CCC2	1944222311	NWFOEVQCJDJNNE-HOCLYGCPSA-N	236.399	4.886	0	10	BJAE	
CC(C)CCCCCN[C@H]1CCC[C@@H]1C(C)C	1947464199	QPOYBBLCMMNYGZ-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
Cc1coc(C)c1C(=O)C[C@@H](C)CC(C)(C)C	1947518820	FRCYAPFIODOUMZ-SNVBAGLBSA-N	236.355	4.542	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@@H]1C=CCCC1)CC(C)(C)C	1947602639	NRPUZHXEPOMULN-RBSFLKMASA-N	238.415	4.556	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H]1CC12CCCC2	1948143972	KYQADGUAQFHLFO-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CC(N)(CC2CCC(C)(C)CC2)C1	1948412901	JWHVVDKYHNCTEO-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC1CC2(CCCC2)C1	1948476760	XQFQBQAVYPPBPP-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H]3CCC[C@@H]32)c(C)cc1Cl	1948821692	WPROHANWDVAZKZ-TYNCELHUSA-N	249.785	4.557	0	10	BJAE	
CC[C@@](N)(C1=CCCCCCC1)C1CCCC1	1948950689	KRLNMLJHFYIRIJ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC1([C@H](N)C[C@@H](C)CC(C)(C)C)CCC1	1949017358	BIRWPIFWMCVVEG-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CCC[C@@H]2CC2(C)C)CC1	1949055413	QXBHXGNNBMMNBF-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(Cl)c(NC2C[C@@H]3CCC[C@H]3C2)c1	1950297221	PZFZOZNHJDRJHU-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@@H]1CCCC(C)(C)CC1	1950913325	GHBHMRUYVJXLNH-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCc1ccc(-c2ccccc2)cc1	1962721646	YUPAXORMJZSXOE-UHFFFAOYSA-N	222.331	4.862	0	10	BJAE	
CC1(C)CC[C@@H](CNC2(C3CCCCC3)CC2)C1	1962980111	JEYCKZASHFOIBE-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
Cc1cc([C@H](C)NC2CCCCCC2)ccc1F	1963029488	FPRZEIYUOPAGJL-ZDUSSCGKSA-N	249.373	4.508	0	10	BJAE	
CCCC[C@H](CC)CN(CC)[C@H](C)C1CCC1	1964258490	JKLBRCZJGXKQBN-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1967861502	YKPBKTYMQKYBEK-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(OC[C@@H]2[C@H]3CCCCC[C@H]32)cc1C	1968308749	ZBRSBTRQDFYQRY-FVQHAEBGSA-N	244.378	4.509	0	10	BJAE	
Cc1cccc(OC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1C	1968364247	ISQYCIZWKCKLPE-VIKVFOODSA-N	246.394	4.755	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H](C)c1ccccc1	1968437830	ZIXIUEYZNARFQO-AWEZNQCLSA-N	233.399	4.506	0	10	BJAE	
CSc1ccc(N[C@@H]2CCC3(CCC3)C2)cc1	1968456674	NAAZSPFCZPPHQG-CYBMUJFWSA-N	247.407	4.543	0	10	BJAE	
CC1(c2csc(-c3ccccc3Cl)n2)CC1	1968644935	PBCCGPNOWUZNED-UHFFFAOYSA-N	249.766	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCCC3(CCC3)C2)C1	1969843492	BQGILORQBFPNOP-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](C)CN1CCCC(CC)(CC)CC1	1972282571	HDFLGJDXLCSVEH-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCCC[C@](C)(O)C1CCC(CCC)CC1	1980234565	QFEZGKYQMJMXFE-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCCCc1cccc(C(F)F)c1	1988322510	ZNJHUDHUPLHRQQ-UHFFFAOYSA-N	224.294	4.913	0	10	BJAE	
CCCN[C@@H](CCC)CC1(CCC)CCC1	1988461572	KYKDACFYBCWZDF-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC1(C[C@H](N)C(C)(CC)CC)CCC1	1988464382	OCDRYULTYGMRCA-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CC(=O)CC1(C(C)C)CCC1	1989449755	XOGWJSTWCZJIRT-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CCC=C(C)C	1995260606	XFMHEPMOXKHIRD-CABCVRRESA-N	226.404	4.700	0	10	BJAE	
CC[C@@H](CN[C@@H](C)C1(C)CCCCC1)C(C)C	1995985727	LKMPIICMUXRBSU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)CC1(N)CC(C)(C)C(C)(C)C1	1997767661	JEMTZBZSHXYLEV-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)C1CC(C(C)(C)C)C1	1998257619	HTLRVRZAVYTGOP-YMAMQOFZSA-N	238.415	4.556	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H]1CCC=CCCC1	1999989247	YFQIBEQFHUZUBD-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
C[C@H](NC[C@@H]1CCC=CCCC1)c1ccsc1	1999994999	AEIFDKIDBCMJDI-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
Oc1ccccc1SC[C@@H]1CCC=CCCC1	1999997898	CBPXMOMNANOLOB-CYBMUJFWSA-N	248.391	4.621	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2000051497	OKAQWWZJZHBWRU-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@](C)(CCC[C@H]1CC1(C)C)CNC	2000513838	LPLMYMYZOZECHP-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)[C@@]1(N)CCCCC12CCCCC2	2001571459	HIIPRAHOADZBEX-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC1(C[C@@](C)(N)[C@@H]2CCC[C@@H](C)C2)CCC1	2003017387	RVNFOFGXYWHVDI-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC=C[C@H](NC)C1CCC(CCCCC)CC1	2003069424	XURGPVBOMSCOFX-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
O[C@H]1CCCCCC[C@H]1CCC1=CCCCC1	2003100222	QAOCGCVYRHBXEI-HOTGVXAUSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C2(N)CCCCCCCC2)C1	2003102991	ZVISANWWRKBTDA-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CC1CCC2(CC1)CC2	2003189635	DJFBZPBPORVSHW-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(CC=C(C)C)C1CCC(C)(C)CC1	2004226220	MJFUTYKAKJSCKJ-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)CCC[C@]1(CO)CCCCC1(C)C	2005586721	PXBZKLKHSLGCAW-INIZCTEOSA-N	240.431	4.782	0	10	BJAE	
CC1=C(C)[C@H](O)[C@@H](C[C@H](C)CC(C)(C)C)CC1	2006903080	XHXYBVOZTIAEEU-GLQYFDAESA-N	238.415	4.556	0	10	BJAE	
CC(C)CCC[C@H](N)C1(C)CCC(C)(C)CC1	2007698608	UHDIVORBAJDIAU-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCCCN(CCCC)CC1CC(C(C)C)C1	2007830590	RSHTWBZXTJDKRE-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)CC(CC)CC	2007939204	FQXLUPMBQCQQBI-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC[C@H](C)CC[C@H]1NC	2009421963	YOYIOCQPWDVURB-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCNCC(C)(C)C1CCCCC1	2009594941	ILZHFNNYJNPKPT-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC=CCCC[C@@H](N)C(C)(C)C1CCCCC1	2009629228	QFPYPRQZOAFCMR-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H]1CCCC(C)(C)C1	2009634672	IIWAHOIVJXPXLA-WHJWBVKISA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(NCCCC2CCC2)C1	2009711722	CIISDARLJWRWQY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)[C@@H](O)C1=CC[C@@H](C(C)(C)C)CC1	2010718264	AOPASAGFMAABMO-HUUCEWRRSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)C1=CCC(C)(C)CC1	2010727709	YWWGJTQVZAHWSZ-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H]2CCCCCC2=O)CC1	2010783143	SBBNUZFRTLTTFV-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)C1CC2(CC2)C1	2012415666	DIJXZZZDBHYSHA-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC12CCC(CC1)CC2	2012826270	ZQIYWOZZYAVQON-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C(O)(C1CCCC1)C1CCCC1	2013226742	CNLQZYNTODENPD-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CC1CC(C(C)C)C1	2013272041	XZYYROMONUCEGV-UYSNPLJNSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CC1(C)CCCC1	2013308574	HRZCXEYHPLJQOQ-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)[C@@H]1CCC1(C)C	2014886011	VEVRHFNGPWXNMJ-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)c1ccc2sccc2c1	2015278387	NQZIUAQYFXQIAR-BXUZGUMPSA-N	248.391	4.617	0	10	BJAE	
CCCC1(C[C@@](C)(N)[C@H](C)CC(C)C)CCC1	2015643708	FRYQFQMHXXBSOJ-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CCC[C@@H]1CC1(C)C	2016146447	WUJAEYWTKLETQE-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H](C)C1CCCC1	2017476212	VLMHVFACUDUGAO-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(N)C[C@H]1CC[C@H](CCC)CC1	2017728539	MTJNJWVVLFHDAR-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](CCC)C1CCC1	2018127549	IJMWDNZKVSSLAV-JKSUJKDBSA-N	239.447	4.904	0	10	BJAE	
CCC(CC)N1CCCC[C@H]1C1CCCCC1	2019306470	WXPUZNLBNSLIRD-INIZCTEOSA-N	237.431	4.610	0	10	BJAE	
C[C@H]1CC(N(C)CCCC(C)(C)C)C[C@H](C)C1	2019328805	VNTBDKDVAKRPGI-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCc1cc(-c2ccc(C3CC3)s2)ccc1O	2020678498	ALZMRIHUQUATMR-UHFFFAOYSA-N	244.359	4.561	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CCC[C@@H]2CCCC[C@@H]21	2022993473	NATBAGSFZHQQAL-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)C[C@@H]1CCCC(C)(C)C1	2024097092	WSWFUXOWAIMHQR-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](CC1CC(C)(C)CC(C)(C)C1)[C@@H](C)N	2024100497	CWIWRAHCTAUKLD-OCCSQVGLSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CC1CC(C)(C)CC(C)(C)C1)C(C)=O	2024102445	SNBZMWSRCJTPTN-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)CC(C)(C)C1(C)C	2025004114	ONZGLQOOEZWFCY-MLGOLLRUSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1ccc(C)cc1	2026148785	XGHFEJVNFGNKDB-CJNGLKHVSA-N	234.383	4.635	0	10	BJAE	
CCC[C@H](CCCc1ccccc1C(C)C)NC	2027498718	JAUAOTLYSNRCRP-MRXNPFEDSA-N	247.426	4.521	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H]1CCc2ccccc2C1=O	2029839054	WTKLCNOKRWWNDW-HIFRSBDPSA-N	244.378	4.504	0	10	BJAE	
CCC(C)(C)C(=O)c1ccc(C2CCCC2)cc1	2031744363	HQPDWTISHRVICV-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
C[C@@H](CCN[C@@H]1CCCC12CCCCC2)C1CC1	2032219941	MNSFCDZPOKJWSQ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NC(C1CCC1)C1CCC1	2035404768	RPRNFGIKMVKWJQ-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)[C@@H]2C(C)C)cc1C	2035406916	FIWXYCRGFJHIKM-XKQJLSEDSA-N	245.410	4.786	0	10	BJAE	
C1=C[C@@H](CCc2ccc3ccccc3n2)CCC1	2035554871	IXRFQNWCMQYNMX-CQSZACIVSA-N	237.346	4.524	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C[C@H]1C=CCCC1	2035575833	KOKNITAERPEIQS-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCC1)C1CCC(C)(C)CC1	2035597323	BWYSXEYWCVWLEJ-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c([C@@](C)(O)[C@H](C)CC(C)C)cc1C	2036374837	LFAOALAYDDJBFU-WBVHZDCISA-N	248.410	4.502	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)C1CC(C)(CC)C1	2036479846	GRAGHKQCCHHGAA-GYXIZQIFSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC(n2ccnc2C2CCCC2)C[C@@H](C)C1	2036775755	IQSDXNHBBYXJRH-STQMWFEESA-N	246.398	4.538	0	10	BJAE	
C[C@@H]1CC[C@@H](C2CCC2)CN1C1CCCCCC1	2036779399	ILARUHDRGLDGSO-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
N[C@]1(CCC2=CCCCC2)CC[C@@H]2CCCC[C@H]21	2037174023	ZNJBHKNFLFGNED-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2037574386	DRWHFVROZRYNBB-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC1C[C@H]2CCC[C@@H]2C1	2038620995	CQYSCCIEZBSQKN-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H](N[C@@H]2CCCC3(CCC3)C2)CC[C@H]1C	2041290045	NHSQNDFWNFYJDM-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)C[C@H]1CCC=CCCC1	2045317649	NPZLKBAYAQBBRM-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(F)c2ccc(N)cc2)C1	2045506874	NLZQAQGVZGBGRV-XJKSGUPXSA-N	249.373	4.670	0	10	BJAE	
C[C@H]1CCCC[C@H]1N(C)C1CC2(CCCCC2)C1	2046329836	ZADVMXOUDAFGSX-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC[C@]1(C)CC=CCC1	2047718492	OXHFJUPSQHOGFB-DOTOQJQBSA-N	247.426	4.601	0	10	BJAE	
CC(C)(CC(=O)CC1[C@@H]2CCCCC[C@@H]12)C1CC1	2048467419	PMERCZGSGMKRBQ-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049212134	PJKFFICBNNZOTC-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CCC2=CCCCC2)C1	2049537904	VSKSUGCENNTQIJ-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCC[C@@H]3CC[C@@H]32)CC1	2052289585	ZISXBENZDDMZSJ-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC1(CNC[C@@H]2C=CCCC2)CCCCCCC1	2052500874	ODQWVDPSDBILJY-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CC[C@@](CNC(C)(C)C)(C2CC=CC2)C1	2053695042	RKRKKMLNAVFMFJ-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@H]1CCC[C@H]1C	2055283920	ILDDIOWLRNIIGM-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@@H](N[C@@H](C)C2CCC(C)(C)CC2)CCC1	2055547848	WMMYFPGFRBWFPI-HOCLYGCPSA-N	249.442	4.680	0	10	BJAE	
CC=CCCC[C@@](N)(CC)c1ccc(CC)cc1	2059195755	LIPXOBCDSYTATE-KRWDZBQOSA-N	245.410	4.559	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CCC[C@H]2C[C@H]21	2059252262	GVALMKBJFWVQPH-JVFQJLMCSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1ccc(C)cc1C	2059260610	ZFXXDCMLNXXDII-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CCc1c(Cl)cc(C(F)F)cc1SC	2060052898	NDRCMTSFSYCECW-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CCc1c(C(F)(F)F)ccc(C(F)F)c1C	2060351569	RIPYFFXPIUGHCC-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@]2(N)CCC[C@@H](C)CC2)CC1	2061118613	IQIHOUXWDPYNBA-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@]2(O)CCCCCC23CC3)CC1	2062030416	DSKXXQULTZYCGR-YOEHRIQHSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)[C@@H]1CCCCC12CCC2	2062647891	WTMDNUYBWWSHMV-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
O[C@H]1C[C@H](CCC2=CCCCC2)CC2(CCC2)C1	2063686834	INIRAJSHIWLMEP-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C23CCCC2CCC3)C1	2063853838	YGPBCDFMMKMSDD-JFBXJRRNSA-N	248.410	4.742	0	10	BJAE	
CC1(CNCCC23CCC(CC2)CC3)CCCC1	2065267043	BVTNKTGFUZVWIC-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC[C@@H]1CN[C@@H]1CCCC12CCCCC2	2068244981	PUIOCPYMNXNJJV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCC12CCCCC2)[C@@H]1CCC1(C)C	2068350643	GOYMZJLWIKKBMY-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)c1ccccc1C1CCC1	2068818563	QUJHUFPTNVEVLZ-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)C1(CC2CC2)CCC1	2069518721	CZGABHKXFLBPEJ-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1(CC2CCC2)CC1	2069581992	WYSIRNYWJXNWAA-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC(C)NCC1(C[C@]23CCC[C@@H]2C3)CCCCC1	2070961802	FSHWWDCHJOMBBX-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@H]2C2CC2)cc1	2071801757	YKTKBKUQHRUKFS-AFAVFJNCSA-N	243.394	4.801	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC(C)(C)c1ccccc1	2072774584	GXSAYUZAWGPTPW-QGZVFWFLSA-N	248.410	4.542	0	10	BJAE	
CC1(C)CC[C@](C)(NC[C@@H]2CC23CCCCC3)C1	2073068105	OBLVEATVSWGFEI-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@]23CCCC[C@@H]2C3)C1	2074112708	JBQPOSJPLIHWMO-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CCCC1(CC(=O)C[C@H](C)c2ccccc2)CC1	2074587094	PJKRTTKLBMNSBB-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CCC[C@H]3C[C@H]32)c1	2077263769	CYNHIHTTWSQGDX-YSVLISHTSA-N	241.378	4.555	0	10	BJAE	
Cc1cccc(N[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1C	2077363279	XKMDZMOGUUVPGS-OFQRWUPVSA-N	243.394	4.540	0	10	BJAE	
CCCCc1ccc(NC[C@H]2C[C@@H]2C(C)C)cc1	2079619647	MHLZIMMWDKDKCT-NVXWUHKLSA-N	245.410	4.733	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1C[C@@H]1c1ccccc1	2079852979	TVMVNJVNSMGGPN-NVXWUHKLSA-N	244.378	4.720	0	10	BJAE	
CCc1ccccc1[C@](C)(O)CCCC(C)(C)C	2081207328	SWUSYRVPXIUXSC-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)[C@]2(C)C=CCCC2)C1	2082986709	NLFFUXKBSWNWEJ-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@H](N(C)[C@H]2CCC23CCCCC3)C1	2085285813	YEKBSKAJOJWMPA-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1cccc(CC)c1	2086042903	ALKHDGRFAVKKAH-PBHICJAKSA-N	248.410	4.889	0	10	BJAE	
CCCC1CCC(N[C@H]2C[C@H]3CCC[C@H]2C3)CC1	2086158907	URVKXWXHMBUQRF-QDZBGDLPSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C(=O)CCCCC1CC1)C1CCCCC1	2214557178	IPFXWYGWNLACMJ-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(O)CCCCC1CC1	2214582929	POYOLMSGSOCZMK-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC(O)(CCC)CC1(C)CC2(CCC2)C1	2215463549	BTSDBMBCNJCPQI-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC1=CC[C@@](C)([C@H](O)CC(C)(C)C(C)C)CC1	2215811774	FHNUVBODNBACCV-GDBMZVCRSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CCC2(CCCN2CC2CCCC2)CC1	2218015925	AFYLXFDHISIXIA-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C(CCCC1CC1)CCNC1CC[C@H]2C[C@@H]2CC1	2218728409	YYBSMIRBEBMKNS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@](O)(CC)CC=Cc1ccccc1	2219051748	YIMNJSHDAAUVKU-KRWDZBQOSA-N	246.394	4.811	0	10	BJAE	
CCCC1(CCC)CC(CNC2CC2)(C2CC2)C1	2219244695	YVTFRNPFNMHKKI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C[C@H]1CC12CC2	2220032016	ZZUZJOMCJNTHDC-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cc(N[C@@H](C)CCC(C)(C)C)ccn1	2220902218	OYFDMKFPWDPQAS-ZDUSSCGKSA-N	248.414	4.832	0	10	BJAE	
CCc1ccc(N(C)CC2(C)CC(C)(C)C2)cc1	2221091506	XTBLKEPJXBWUAE-UHFFFAOYSA-N	245.410	4.512	0	10	BJAE	
CC1=CC[C@H](CNCC2CCCCCCC2)CC1	2221665817	GGDSFADWYFRPRO-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1=CC[C@@H](CN[C@@H](C)CC2CCCCC2)CC1	2221668562	PNDYVTFOKJXBBI-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)[C@H]1CCC[C@H](C)CC1	2222013739	KZSYDHFXMPLGRX-YLQAJVPDSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCC[C@]2(C)C2CCC2)C1	2223856960	JNXKBVNWLQKOLX-NVXWUHKLSA-N	249.442	4.610	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)c1ccc2occc2c1	2224162988	RHKNDSIRNJJERK-DOMZBBRYSA-N	245.366	4.505	0	10	BJAE	
CCC[C@@](C)(CN)CC[C@@H]1CCCCC12CC2	2246629409	GDRATRYFNOMMNS-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CCC(C)(C)[C@H](CC[C@H]1CCC[C@@H](C)C1)NC	2246725017	GMTLSPZKXKOLHT-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C(=O)CC1=CCCCC1)C(C)C	2247536756	XXVMCWCKRHJXFS-HNNXBMFYSA-N	236.399	4.764	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C[C@H]1CCCC12CC2	2247657089	XDSQBMOQUMCGEV-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](O)CCCCC[C@@H]1C[C@H]1C	2248881346	YCWKAPLFKZXQCO-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2cccc(C(C)(C)C)c2)C1	2249304699	WGBQKMJTQQHVBH-DOMZBBRYSA-N	231.383	4.585	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cc2ccccc2s1	2250369841	GZKODXORQYUZEF-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cccc(C(C)C)c1	2250371678	MJJSWNKJLGPORK-CZUORRHYSA-N	233.399	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1CCCC1(C)C	2250469861	UDSCDRIORDIYFM-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@H](C)CCNCCC(C)(C)F	2250494807	DHYMHIAAMOSAOB-AWEZNQCLSA-N	245.426	4.567	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@@]12CCCC[C@H]1CC2	2251218194	IKQIODGKHPRGJU-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)Nc1cccc(C2CCCC2)c1	2251242960	JMOCRQCKTOHMRF-ZDUSSCGKSA-N	231.383	4.945	0	10	BJAE	
CC=CCCC[C@@H](N)C1CC(CC(C)(C)C)C1	2251540153	YMVDHXOJNURTOV-YMAMQOFZSA-N	237.431	4.523	0	10	BJAE	
CC(C)CC[C@@H](O)CC1CC(CC(C)(C)C)C1	2251585544	ZMFHXEYCRKRMSD-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
Cc1c(C)c(C)c(CC2CC=CC2)c(C)c1C	2252637124	ALAVMVXHEDMOIW-UHFFFAOYSA-N	228.379	4.737	0	10	BJAE	
CC1CC(C)(C[C@@H]2CCNC3(CCCCC3)C2)C1	2253694044	KVLYQDUZCKSJLW-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@H]1CCCCC12CC2	2253783645	BHVFCOHDNADAMT-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCCCC12CC2)C1CC1	2253801029	BCTASADGRQVUNC-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](C[C@H]1CCCCC12CC2)C1=CCCCCC1	2253803229	VJIDVTRSRCVTEE-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCCCC12CC2)[C@@H]1C[C@H]1C	2253847821	BPTIEPPRXCHUAN-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
C(CCC1CC1)CNCC[C@H]1CCCCC12CC2	2253885010	YDIFRAOCBLLPMP-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNc1ccccc1C1CC1	2254513210	RXHDVKXRIXSWEM-ZFWWWQNUSA-N	243.394	4.802	0	10	BJAE	
Cc1c(F)cccc1C(=O)CCCC[C@@H]1C[C@@H]1C	2254610345	OHRQEZSGBGTZIG-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCN1CCCCC12CCC2	2257297865	HOTBGMRHOTVPPZ-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)C=CCC(C)(C)C1	2257305482	VAHICZSXVDQYAX-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@@H]2CC(C)C)cc(C)c1C	2258231573	PLEIGXBOVMEIPU-WBVHZDCISA-N	245.410	4.848	0	10	BJAE	
Cc1cc(NCC2CCC(C)CC2)cc(C)c1C	2258234598	VWYULMMOWQKABT-UHFFFAOYSA-N	245.410	4.850	0	10	BJAE	
CCCc1cccc([C@H](NC)[C@@H](CC)CCC)c1	2259444714	QOCNMBKFRLDUST-DOTOQJQBSA-N	247.426	4.726	0	10	BJAE	
CC1(CCC[C@H]2CCNc3ccc(F)cc32)CC1	2261349165	SSNMOSMEUXKGOS-LBPRGKRZSA-N	247.357	4.695	0	10	BJAE	
CCC(C)(C)CNCc1cccc(C(C)(C)C)c1	2261407945	DNAASVVWKBUNSH-UHFFFAOYSA-N	247.426	4.510	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298390379	PPVURHUPEXQAFY-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CC(=O)c1ccc(S[C@@H](C)CC2CCC2)cc1	2298888468	JMJFVQDYHLMTKD-NSHDSACASA-N	248.391	4.560	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H]1CC[C@H](CC)CC1	2300680811	IDQSMZZTNDWLJS-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCC(C)=CC[C@]1(N)CCCCC[C@H]1C(C)C	2300902157	QWKLNQLFJGOXQF-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC(=CC[C@@H](O)[C@@H]1CC1(C)C)CCCC(C)C	2300935544	WYDZNKFRJMKEBV-LSDHHAIUSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1C[C@H]2CCC[C@H]1CC2	2301144526	FHTGBMJVJNCCQQ-JONQDZQNSA-N	237.431	4.514	0	10	BJAE	
CC[C@@](N)(CC1CCCCCC1)C1CCCC1	2301146774	CBCQRSMXXWYDEX-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CCCC2=CCCCC2)C1	2302354663	UKCABIOFEBHLNQ-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CCCC1(C[C@H](O)CCC[C@H]2C[C@@H]2C)CCC1	2302613105	MSBOXHDAGAGCKO-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](C[C@H]2CCC(C)(C)C2)C1	2302874074	ROEUIDGKXLKXAN-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)[C@]1(CNC(C)C)CCC(C)=C(C)C1	2303473801	FADYWTCXHIGVSM-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1CCC(C)=C(C)C1	2303603690	VQBOCSQHGFEWIS-HOTGVXAUSA-N	237.431	4.680	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1C(C)=CCC[C@H]1C	2307839269	WYQPQMODWWNUIB-FXUDXRNXSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CO)CCC[C@H](C)CC1	2307877813	MUICMVONABBVRX-JYJNAYRXSA-N	240.431	4.782	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)[C@H]1CC[C@@H]2C[C@@H]2C1	2309138826	RUGCSVUJQLMJAZ-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309805203	IFUWWQLCNYYSPS-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CCC[C@@H]2C[C@H]12	2309964333	MOWBNQPTIKUHBR-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC2CC2)C=CCCC1	2316246900	YUIJGICEESBLMH-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(=CCN[C@]12CCC[C@@H]1CC2)CCCC(C)C	2316499359	MWSMDTICOJVQOS-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@H]1CC2CCC1CC2	2316505172	XVGNKPQHTYAMOO-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CC(=CC=C(C)[C@H]1CCCNC1)CCCC(C)C	2316567329	HGYAWWUVHNWPJS-KRWDZBQOSA-N	249.442	4.705	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@@H](N)CC1CCCCCC1	2316879627	GFCAIMVXAHCVHW-PVAVHDDUSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C1=O	2317007223	LSYSOASEUKVSDJ-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@@H](C)[C@H](C)C(C)C)c1	2317628657	BTCPNWFGCRREHU-PMPSAXMXSA-N	247.426	4.635	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@@H]1C=CCC1	2317903963	JVMFCZABVQJLHC-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCC1(C[C@H](CCC2=CCCCC2)NC)CCC1	2317912339	OFPDEUPMNDLCFJ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1CC(CC[C@@H](N)CCCC2=CCCCC2)C1	2318594685	IKLNHIHTNICIBL-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC(C=C[C@H]2CCC[C@H]2N)CC(C)(C)C1	2318949713	RLBZHNYMINPKLM-HUUCEWRRSA-N	249.442	4.523	0	10	BJAE	
CCC1(CC)CC(NC[C@H]2CCC(C)=C(C)C2)C1	2320230510	IFXKDNBWHDWTHC-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CNC[C@H]2CC[C@H](C)CC2)CC1	2320369408	RWZJMDGIFHXKOO-JQFCIGGWSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@H]2C[C@H]2C2CC2)CC1	2320412080	HPPDBZGICBYGJY-KMFMINBZSA-N	246.394	4.518	0	10	BJAE	
CCCCC[C@@](C)(O)Nc1ccc(C(C)C)cc1	2323924451	PBFJTEYEEMCMAX-MRXNPFEDSA-N	249.398	4.511	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1cc(C)ccc1C(C)C	2327674518	ALYXAEYVQKAWOY-RHSMWYFYSA-N	247.426	4.815	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C(C)C)[C@H](C)CC	2327683012	VBLXUENUZMYLHW-PBHICJAKSA-N	247.426	4.815	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)c1ccccc1	21012818	ZCGLUTYKXMEIDT-CQSZACIVSA-N	239.362	4.983	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)c1ccccc1C	21803272	DYFCETCSLVGEKE-CABCVRRESA-N	233.399	4.614	0	10	BJAE	
CCC[C@@H](C)Nc1ccc(-c2ccccc2)cc1	37056993	GHBGRDKYNWAHOC-CQSZACIVSA-N	239.362	4.954	0	10	BJAE	
O=C(CC1CCCC1)c1cccc2ccccc12	54438514	DKPRUOYUHZPQRV-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
CC1=C2C[C@H]3CC[C@@H](C)[C@]2(CC1)C3(C)C	59778521	RTBLDXVIGWSICW-JMSVASOKSA-N	204.357	4.559	0	10	BJAE	biogenic,in-vitro
CC[C@H]1CCCC[C@H]1Nc1ccc(C)c(F)c1	70977650	RGRQXKFGSBOAJR-SWLSCSKDSA-N	235.346	4.515	0	10	BJAE	
Cc1ccc(NC2CCC(C)(C)CC2)c(C)c1	75168180	XSQDSCGEDGTEDS-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@@H](CC)C[C@](N)(CC)CCCC	83186045	GBZFAIHQVMGQAC-CABCVRRESA-N	227.436	4.891	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCCCC1(C)C	86873875	FZLJFHTYVVGSEG-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
C[C@H](Nc1cccc2c1CCCC2)C1CCCC1	109752556	YCRNPLUIEODYAI-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
CC[C@@H](C)c1ccc2c(c1)[C@@H](N)CC(C)(C)CC2	110269455	XMVRCLAWLFBLOC-WBMJQRKESA-N	245.410	4.562	0	10	BJAE	
CCCCCC[C@@H](NCC)c1ccc(C)cc1	112890139	KHYURNLUWFFUMM-MRXNPFEDSA-N	233.399	4.616	0	10	BJAE	
CCCCC[C@H](CCC1CCCCC1)NC	125341650	DVIDJTFXTZGGTD-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)c1cccs1	128036809	IEFCUTAHAOSYFU-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CCCN[C@@H](CCC1CCCCC1)C1CCC1	131189359	FXZBOQUZZIJXAG-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](N[C@@H](C)C1CCC1)c1ccccc1	137709530	LARCSLDWROKOED-YOEHRIQHSA-N	245.410	4.552	0	10	BJAE	
CCC(CC)C[C@H](N)C1CCC(C(C)C)CC1	148409600	PKSLIPCZABJWAB-GPANFISMSA-N	239.447	4.602	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@H]1CCC[C@@H](C)CC1	148414453	XGCXITSNLIZRRX-BMFZPTHFSA-N	245.410	4.614	0	10	BJAE	
CCNC[C@@H](CC(CC)CC)c1cccc(C)c1	149146911	MCTJSAAVHQQCCB-QGZVFWFLSA-N	247.426	4.514	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@@H]2CCCC(C)(C)C2)c1	149448541	OSMWKUYAFQZCLQ-GDBMZVCRSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2ccc(C)cc2F)C1	166310068	OPTSCRDUQPIASA-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
CCC(CC)C[C@H]1C[C@@H](C(C)(C)C)CCC1=O	167552981	BIZAOKJYTXMTCF-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1CCC[C@@H](C)C1	218004789	QXSVLTVKVQXRSE-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CCC)NC(CCC)CCC	226004333	CIEDGFJFJXBEMA-OAHLLOKOSA-N	227.436	4.904	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CC[C@@H](C)c2ccccc21	228129607	JLTCLOVFCHDFNP-JKIFEVAISA-N	245.410	4.793	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H]1CNc2c(Cl)cccc21	232624250	UEYSJXWDNWZJCE-PWSUYJOCSA-N	237.774	4.531	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2ccc(C)cc2C)C1	235716051	KIEAMZRNEVOOLR-CZUORRHYSA-N	243.394	4.708	0	10	BJAE	
CC[C@H](C)[C@H]1CCCCC[C@H]1CNC(C)(C)C	251954142	UWVIUTPGXYMMBH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)[C@H]1C[C@H]2C=C[C@H]1C2	252425001	KRWNTAPAEYSNFI-BQJWPVKWSA-N	249.442	4.536	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(O)C1CCCCC1	300844594	KFPWLOOISSKWEA-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC1CCC(NCCCC(C)(C)C)CC1	305902411	CJFPQCGGQSLMRQ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(C[C@@H](C)CC(C)C)C1	305902751	BPJBNBUTSJMWRG-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCCF)C[C@H](C)C(C)(C)C	310273185	DVUOSMTVCKOQNA-UONOGXRCSA-N	245.426	4.567	0	10	BJAE	
C/C=C\CCN[C@@H](C)c1ccc(C(C)(C)C)cc1	310596292	RZTZLZCBVGQCHD-AFNCTOJWSA-N	245.410	4.601	0	10	BJAE	
CCCC1(C(=O)c2c(C)c(C)cc(C)c2C)CC1	310835320	ZPPLYPYSXDFBRL-UHFFFAOYSA-N	244.378	4.683	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C	315217591	UBCVQKZSSJGMGV-FXUDXRNXSA-N	243.394	4.540	0	10	BJAE	
CCC(CC)(C(=O)[C@H](C)C(C)C)c1ccccc1	320164916	YGTPNVMKDKKEHI-CQSZACIVSA-N	246.394	4.606	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C[C@H](C)CC(C)C	379630527	KJVAFKRRLFBJJR-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)C(=O)CCCCCC(C)C	383142201	MQBWHPLQRNYWNR-AWEZNQCLSA-N	226.404	4.988	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@H](C)[C@@H](C)C1	383184611	NRDYBFZHUMFRAU-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1CCCCCC(C)C	383394672	PWXROJDCRKWILI-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@H](N)CC2CCCCCC2)CCCC1	383759036	LCTSGYAUEUUHHP-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)CC(C)(C)C	384602497	NVHPJJZMCPNSJB-KBPBESRZSA-N	227.436	4.760	0	10	BJAE	
CCCN[C@@H](CC)c1ccc(C2=CCCC2)cc1	384938048	BTPQPTIAKMECTN-KRWDZBQOSA-N	243.394	4.705	0	10	BJAE	
CC(C)CC[C@@H](NCCC1=CCCCC1)C1CC1	385368408	AMFPPEBXHDZNNB-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@@H]2C[C@@H](C)[C@@H]2C)cc1	386802258	MUMLIBACUCXBCB-XJIUQZFPSA-N	245.410	4.505	0	10	BJAE	
CC(C)c1ccccc1[C@](C)(O)CCC(C)(C)C	394132144	NRUTZIKTQWYGGM-QGZVFWFLSA-N	248.410	4.844	0	10	BJAE	
CCCC1(NC[C@H]2CC(C)=C[C@@H](C)C2)CCCC1	394432610	XCPZRNWGWRDIJG-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1cc(C)cc(C)c1	395128887	QBKNPGPXAHDKMY-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
CSc1ccc2sc(C(F)F)c(F)c2c1	396257896	WNTZLUZUPRLXIS-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
Cc1ccc2c(S)csc2c1C(F)(F)F	396306706	PWYOMLLXIHDCRF-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCc1cc2c(C(F)(F)F)c(C)ccc2s1	396309442	UFFVNPPZMKRFTC-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CSc1ccc(C(F)F)c2c(C)csc12	396400561	CZBOIJIQQUVUDV-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@@H]1CCC[C@@](CCC2CCC2)(CNC2CC2)C1	398624370	HEWWHCOSBRHVAJ-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@](CCC2CCC2)(CNC2CC2)C1	398624380	HEWWHCOSBRHVAJ-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCCCC1(C)C)C1CCC1	398778240	BZWITHOWBWTRQO-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
FC(F)c1c(C(F)(F)F)ccc2ccccc12	514256123	DFWGITYQQPZCSE-UHFFFAOYSA-N	246.178	4.796	0	10	BJAE	
CCC[C@H](C)[C@H](O)C1CC(C)(C)CC(C)(C)C1	688339624	VYFUAFVTRGDDCX-JSGCOSHPSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC(C(=O)CCCC2CCC2)CC1	688840889	XJMHKURMBFVDEL-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(C)c(OC)c1	689694237	HCQHWVYOVWLPML-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC(=N)C(C)(C)C	690220716	AWBJZDIYEQSINQ-UHFFFAOYSA-N	246.398	4.555	0	10	BJAE	
Cc1cc(NCCCC(C)C)cc(C)c1Cl	690248718	CBVKRISMWIAFPQ-UHFFFAOYSA-N	239.790	4.805	0	10	BJAE	
CCN[C@H](CCCC1CCC1)C1CC2(CCC2)C1	691881640	YJVXLEGOXODMIZ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@@]12CCCC[C@@H]1C2	693186696	VNQAKUOENKQKRZ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C(C)(C)CC)C1CCCC1	695144925	FEMYTBFLWMLHBB-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)c1ccc(C)cc1	696592295	HFJNNEGJTXGDNK-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CO)C1CCCCC1	696825237	XLSGWORUBMJLCB-GOEBONIOSA-N	240.431	4.782	0	10	BJAE	
CC(C)=CCCC(=O)c1csc2c1CCCC2	697851205	RJJWQUUBJJIDPY-UHFFFAOYSA-N	248.391	4.556	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)CC1(C)CCCC1	704473122	OFRAMFSMZVLJDD-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C/C=C/[C@H](NCCC)C1(CC(C)C)CCCC1	704654765	UTBBKXIRFINLKE-BOSPYUDASA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@@H](C)CC(C)(C)C)cc1	704683855	HPSMYKYTLVFQOJ-BBRMVZONSA-N	248.410	4.916	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C1(CNC2CC2)CCCCC1	704804885	HUTGCLNVXIZJDK-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@@H](C)CC(C)(C)C	708298618	YWCDHVRRGVYBMH-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@@H](C)CC(C)(C)C	709081382	BIDVPISZEJOADZ-CHWSQXEVSA-N	227.436	4.602	0	10	BJAE	
CCCCC[C@H](C)NCC1CCC2(CC1)CC2	709973090	WETQGBYAYHHEGW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CCC3(CC2)CC3)CC1	709989292	KMYPVDNWXLTETB-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](C[C@H](O)c1ccccc1C1CC1)C(C)(C)C	710787221	NNZDENZCWJKDEZ-LRDDRELGSA-N	246.394	4.670	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C12CCC(CC1)C2	710849703	MRUVBYNRNDPCJX-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C[C@H](N)C1=CCCCCC1)C(C)(C)C	711215605	VJGKQYUMQBACQR-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CCCC[C@H]32)CC1	712377211	KVLQHPWJJHRVKA-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C[C@@H](O)CC(C)(C)C(C)C)C(C)(C)C	713128021	NMVHJWBEKSNASD-UONOGXRCSA-N	242.447	4.882	0	10	BJAE	
CN[C@H](CC1CCCCC1)CC(C)(C)C(C)C	713162573	ZXJCZXHFXAMBEG-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCC(=O)c1ccc(SCC)cc1	713725258	PNVBWFKCVYXXSJ-AATRIKPKSA-N	246.375	4.504	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)CC[C@@H]1C[C@H]1C1CC1	714784227	VODDDAIENXPQLP-SEMCASQCSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H](C)CC(C)(C)C	718498371	WWBWTIRFCIFGGF-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@@H]3CCC[C@@H]32)cc1	722076390	LSCDTSKMXHZWCJ-BHYGNILZSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	723123931	MMLBQOIYPSUXHB-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CSc2cccc(F)c2)C1	1613589781	HPUXIGHQQQLJED-NEPJUHHUSA-N	238.371	4.744	0	10	BJAE	
CCC(CC)CC[C@H](N)c1ccccc1Cl	1900701030	KJHJCLHCBHQSMR-AWEZNQCLSA-N	239.790	4.556	0	10	BJAE	
CCC(CC)CCC(=O)C1CC(C)(CC)C1	1900703901	PEWUBGOUKHTGHN-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(C)=CCc1cc(F)ccc1C(F)F	1900902699	HERLVXSFHXRANM-UHFFFAOYSA-N	228.257	4.662	0	10	BJAE	
CCC(CC)c1ccc(C(F)(F)F)cc1C	1901880593	AMMWDMOFTHTKKY-UHFFFAOYSA-N	230.273	4.917	0	10	BJAE	
Cc1sccc1-c1cccc(C(F)F)c1F	1901897176	KJHKMVOHHPTRSC-UHFFFAOYSA-N	242.265	4.800	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1CCC(C)(C)C1	1902268654	DJGIGLQDGZELIX-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)CN(C)c1ccc(Cl)cc1	1905307527	QSPLZBYPPCRDFM-LBPRGKRZSA-N	239.790	4.603	0	10	BJAE	
CCCC[C@@](C)(CNC)C[C@H](CC)CCC	1905308620	STXOZZKPQGOGIU-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)C[C@@H](C)CC	1908576022	AVFDCTWRLJFQED-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@H]2CC)CC1	1909692299	CFDPFMKWQNYIGE-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NC	1912050318	ZFSVSKQXQOMZPB-BZUAXINKSA-N	249.442	4.559	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C2CC3(CCCCC3)C2)C1	1912641075	PZBUPMCXGZMBQF-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CCC)C1CC2(CCCCC2)C1	1912693322	ASGSSRCHXLDBMJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(C[C@@H]2CCCCCCCC[C@@H]2O)CCC1	1913397392	FXDRZGPULVNNLC-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)c1cc(C)c(C)cc1C	1920206869	NNNBAMBICHOYRO-YVEFUNNKSA-N	247.426	4.612	0	10	BJAE	
CCCCCC1(CNC(C)(C)C)CC(CC)C1	1921203588	JMEGVYAEOCIOEE-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC1(c2ccc(NCC[C@@H]3CC3(C)C)cc2)CC1	1921560044	ASYSMLSLTBXZRN-CQSZACIVSA-N	243.394	4.586	0	10	BJAE	
CCNC[C@@]1(CC2CCCC2)CCCC12CCC2	1921610332	NCZLAYIFLNKOEU-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@H]1CCCC12CCC2	1921623696	FGHGYWORYMLOOS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@H](N)C[C@H]2C=CCCCC2)C1	1925916630	VHOBSOGSXFFELE-DMRKSPOLSA-N	249.442	4.523	0	10	BJAE	
CCC(C)(C)CCC(=O)C1(C)CC(C)(C)C1	1936671598	HNJCSWQCDIXJMK-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)Oc1ccc(Cl)cc1F	1937175718	ZSLKTZRDFVQVID-SNVBAGLBSA-N	244.737	4.683	0	10	BJAE	
Cc1cscc1N[C@@H]1CCCCC12CCC2	1938718787	MLIXUYDDQIMLIP-CYBMUJFWSA-N	235.396	4.581	0	10	BJAE	
CC1(CSc2cccc(C=O)c2)CCCCC1	1940382658	IHFBUADJPHTPSZ-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC(C)NC[C@H](CC1(C)CCCCC1)C(C)C	1940408751	VBUSLBFDPTUYPI-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC(=O)CCCc1ccccc1C(C)C	1940599875	ZEIPYBGIRPNCIU-UHFFFAOYSA-N	232.367	4.502	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CCC1CCCCC1	1940852891	JKVNNRYQVDRUDH-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)[C@H](C)C(C)C	1940863608	MTUJAIHCWISQAJ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C(C)(C)C1CC1	1941129445	SUMPDSSSZURXSQ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](N)CCCC1CCC1	1941263394	OGADGTKKHLXFNI-CVEARBPZSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H]([C@@H](C)C(C)C)[C@H](CCC)C(C)C	1941269751	UXGLOARTDUGBNE-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(CC)CN[C@@H](C)CC1CCCCC1	1941358599	NYHKTJHEIZPGCZ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)c1csc([C@@H]2C[C@H]3CCCC[C@H]32)n1	1941710317	NPFUEWXJHBLHNK-IJLUTSLNSA-N	249.423	4.734	0	10	BJAE	
CC(C)(CNC(C)(C)C)CC1CCC=CCC1	1941794725	ZNPNOWFAFFJDQE-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@@H]1CCCCC1(C)C	1944795274	QPSWGFHBQGANFU-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@@H]1C1CC1	1945002815	PXTKKJMXRUENPJ-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C=CCCC2)C1	1947558504	KAWBQNFHCNCBJV-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1C=CCC1)NCCC	1947576010	LDNQBPWRWNNJGG-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCN[C@H]1CCCCC12CCC2	1947878245	GHALLDOQCITZIR-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC1CCC(CC)CC1)NCC	1948427076	YSGPVBXWKDJBOW-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@](C)(N)CC[C@H]1C[C@H]1C1CC1	1949011958	RBEMAYKKUZIZDA-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1(C)CCCCCC1	1949013090	FZPCWIQBCOHJPK-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCC[C@H]2CC2(C)C)CC1	1949055415	QXBHXGNNBMMNBF-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H](CC)C1)C(C)(C)C	1949824784	DPALJKBUUGTSCU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(CC[C@@H](O)CC2CCCC2)CCCCC1	1949865668	BEEIUHGEAIQYGF-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@@]1(CNC)CC12CCCCC2	1950601509	IBISFXZIHRNWHK-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CCNC[C@]1(C(CC)CC)CCC[C@H](C)CC1	1950928786	AUTBOQIMGYBMCH-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CCC[C@H](C)CC1	1950929592	IIQROBJWNPVXID-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](NC[C@]1(C)C=CCCC1)C1CCCC1	1967837959	WQWHQVFFHCTJTD-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)cc(OCC2[C@H]3CCCCC[C@H]23)c1	1968307599	MOEACEXSUQXZOK-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC[C@H]1CC1(C)C	1968602777	QGPMQFMNPIXNGZ-HNNXBMFYSA-N	245.410	4.967	0	10	BJAE	
CC[C@H](N[C@H]1CCC2(CCC2)C1)c1cccs1	1968963767	ZQOLGVCWIMYBMQ-STQMWFEESA-N	249.423	4.512	0	10	BJAE	
Cc1cccc(N[C@H](C)CCC2CC2)c1Cl	1969847042	SURGDHRPJRKVPR-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC(CC2CC2)CC2CC2)C1	1970282718	XHBIWUCEHVJIAN-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C)c1-c1nc(C2CCC2)cs1	1970806365	ZCGWESNMBFNILC-UHFFFAOYSA-N	243.375	4.694	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1NC1CC2(CCCCC2)C1	1972430253	ORADRZIFWORASA-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1NC1CC2(CCCCC2)C1	1972430526	STZYAGDMNWXYBN-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc(C3CC3)cs2)CC1	1976351551	YADWCABKUMCAOT-PWSUYJOCSA-N	235.396	4.704	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1C=CCCC1	1977151534	BUHZWPCFDPJULQ-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1csc(C(F)F)c1	1978582154	IBLCHKWVLREBQR-KCJUWKMLSA-N	248.338	4.545	0	10	BJAE	
CCCCCC[C@](C)(O)C=C1CCCCC1	1983487895	NNFNWYPYNLWPQS-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
S=c1cc[nH]cc1-c1cccc2sccc12	1989486057	PGGHXJUVUUIDNJ-UHFFFAOYSA-N	243.356	4.626	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)C1(C)CCC1	1990097401	GRWRVRUEFFTDOX-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@H](CCC1(CC)CC1)NCCC	1990629130	QNHUVRHFCLQMSZ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@](C)(O)C1(C)CCCCC1	1995985423	JIBFUSUYQNFQGM-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1	1996229094	DOUIXYFVMARRDX-FEWQNLEASA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@]1(C)CC=CCC1	1997546934	RKWAUNLHFCNCPI-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@H](N)[C@@]1(C)CC=CCC1)CC(C)(C)C	1997555063	XFSGIGZOMCDBNI-YCPHGPKFSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1CCC=CCCC1	2000191677	GNLFYKWPCNMENY-OAHLLOKOSA-N	236.399	4.908	0	10	BJAE	
CC1(C(=O)C[C@H]2CC=CCC2)CCCCCC1	2000212596	XQOAHOFNYXQAQO-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](C(=O)C[C@@H]1CC12CCCC2)C(C)C	2001255778	UESMSWUGLDQSOQ-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@H]1CC[C@H](C)CC1	2003067393	RTBCWUUHNTWVJW-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CCC(O)(C[C@@H](C)CC(C)C)CC1	2004338865	IWJFTFFYOMPJQQ-FHERZECASA-N	240.431	4.780	0	10	BJAE	
CCC1(CC)CCC(N)(CC2=CCCC2)CC1	2004347837	YZBLRNAWNXKYBJ-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@H](C)[C@H](C)C1	2004712171	QQELOVWSNJKXQV-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1CC1)C1(C)CCCCCCC1	2004921865	ATZWNNBRCVHAHZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CC1CC(CC)C1	2007755182	VWKWCKAMALDHTA-SSHXOBKSSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CCO)C[C@H]1CCCC2(CCCCC2)C1	2008716748	RGLXVPUQDWECAV-HUUCEWRRSA-N	238.415	4.536	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2CC(C)(C)C2)CC1	2009403961	JAMKDKLYLJFHCY-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCCC)CC[C@H](C)C1	2009631078	ZYJORSVIIGWRNV-INCBCAAFSA-N	237.431	4.539	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCC[C@H]2CC)C1	2009715193	ZMASTWKBIWMHNB-GYTBAZASSA-N	237.431	4.514	0	10	BJAE	
CCC1(C)CCC(N)(CCC[C@H]2C[C@@H]2C)CC1	2011576365	LDJUUQRDTYFBJA-FXQLRMTLSA-N	237.431	4.501	0	10	BJAE	
CC[C@](CNC(C)(C)C)(C(C)C)[C@@H](C)C(C)C	2012418880	IKINXOIFOLMHGZ-HOCLYGCPSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CC1CC(F)(F)C1	2014276204	WPBBCHYFURPJSZ-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCCCCN[C@H](C)[C@@H]1CCC1(C)C	2014938033	LUEIPKBLEQPRQS-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H](C)C(C)C)NCC	2015267857	BYNBEZZONUFUPS-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CCCC1(C[C@@]2(N)CC(C)(C)C[C@H]2C)CCC1	2015644383	MOWPUWDBBFGJQC-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2CCC[C@@H](C)C2)CC1	2015741405	AKDFMPMVVPKDMR-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@H](NC)C2(CCC)CCC2)CC1	2019000604	RJMHYEUAPDTBGY-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CCN(C)C[C@H]1CCC[C@@H](C)C1	2019163448	JKFVYXPMRAMPAE-ZBFHGGJFSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCCN(C)[C@H]1C[C@@H](C)CC(C)(C)C1	2019301187	ANQNHZYXQXQYJY-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCCN(C1CCCCC1)[C@@H]1CCC(C)(C)C1	2020536283	UUQSVMKLLJFLHE-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCCC)[C@H]1C[C@@H]1C	2022262227	FMABYILNUVOYGH-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1C[C@H]1CCCC(C)(C)C1	2024091257	GVBOMCDVHCZPKF-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2024100599	DNVVILHMIZXHIY-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)c1cc(C)co1	2027839219	GPNQLZKJBLYKSH-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(F)c2cccc(N)c2)C1	2027939229	HUWSQERHTWPBCG-IOASZLSFSA-N	249.373	4.670	0	10	BJAE	
CC(C)(C)NC[C@H]1CC[C@H]1CC1CCC=CCC1	2028875019	BOIYEAJNBPMQLM-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
C1=CCCC(CNc2ccc(C3CC3)cc2)CC1	2028889468	SEDPOTXOJKGTGO-UHFFFAOYSA-N	241.378	4.722	0	10	BJAE	
CC1CC(C)(CNc2ccc3ccccc3c2)C1	2029206372	PNRKZYGRWCOVPT-UHFFFAOYSA-N	239.362	4.688	0	10	BJAE	
O[C@H](c1ccc(C2CCCC2)cc1)C1CCCC1	2031745717	MTCHWKZQDBRSSU-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
C(CNC[C@@]12CCCC[C@H]1CCC2)CC1CCC1	2031809172	PQKWKJRJPOODCJ-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@]2(N)CCCC3(CC3)C2)C1	2031819155	SLMLQDZMPMHEOZ-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@]23CCCC[C@@H]2CCC3)C1	2031852831	SIAXCDIYPKNGDX-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CC1)C1=CCCCCC1	2032160663	WONXCVAKRXQPDL-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)C(C)(C)C1CCCC1	2032347608	YZPMEGSNNSXTBQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCC1)C1(C)CC(C)C1	2035586386	ABJLPUNYZZMYIX-GMRIPVOYSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc2c3c([nH]c12)C[C@@H]1CCCCC[C@@H]31	2035865443	UCQHCOHJIHNQTR-QWHCGFSZSA-N	239.362	4.696	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1C[C@H]2CCCC[C@@]2(C)C1	2036633753	FYRKGZSBTRPLFD-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1C[C@H]2CCCC[C@]2(C)C1	2036668248	UWJHTSVDEYLACT-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@H]2CC(C)=C[C@H](C)C2)C1	2037045186	RFFMVTDNYGMVGY-UTSOLEGOSA-N	249.442	4.523	0	10	BJAE	
NC1(C2=CCCCCCC2)C[C@H]2CCC[C@@H](C2)C1	2037074893	AZUNTTJJTCMPEC-GJZGRUSLSA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1c(C)oc2ccccc12	2037093966	XQCZHHIPNFJXEL-BXUZGUMPSA-N	245.366	4.567	0	10	BJAE	
C[C@@H](C[C@]1(N)CC(C)(C)CC2(CC2)C1)C1CCC1	2037163079	UCANLRZLYIGZFD-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC[C@]1(N)CC[C@@H]2CCCC[C@@H]21)C1CC1	2037167354	UNTQBTQTXOLVKC-JLJPHGGASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)CCC1=CCCCC1	2037171277	FHUUPRONLCMPII-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CC[C@@H](C2(CNC3CC3)CCCCCC2)C1	2037696646	ARUNUYUYRYSAJP-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1CC(C)(CN[C@H]2CCCC3(CCCC3)C2)C1	2038884096	HBHIKOUKJCHDPE-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC12CCC(CC1)C2)C1CCCC1	2039419580	GPWOSCQERUAXPJ-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@H]1C1CC1)C1(C)CCCCC1	2039858913	GEAFOCJHSPCMJP-CWRNSKLLSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CN[C@@H]2CCC3(CCC3)C2)CCC1	2043609361	PRDWZQABPWSAFZ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC[C@@](C)(CNC1CC1)C[C@@H]1CCC=CCCC1	2045323256	KYHJAMFVDMEULG-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(C[C@H]2CCC=CCCC2)CC1(C)C	2045326388	MUGQJDZQTLPEGY-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1C[C@@H]1c1ccccc1	2045608153	GBOWRNSGRUDAJU-HUUCEWRRSA-N	244.378	4.576	0	10	BJAE	
CCNCC(CC)(CC)CC=Cc1ccccc1	2045979922	FZHPERWQZRLDTQ-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C[C@@H]2CCC23CCC3)C1	2047932601	NPFHOLLWDWCHFV-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2[C@H]3CCCCC[C@H]32)CC1	2048385266	HVPATJRLVGSGQF-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@H]1[C@H]2CCCCC[C@H]21	2048447459	WDIUKJWTXJEWHD-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
NC1(C[C@@H]2CC[C@@H]3C[C@H]3C2)CCCCCCCC1	2049676587	VHIBFAAOHCBBHG-BZUAXINKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H](CC2CCC3(CC2)CC3)C(=O)C1	2049963439	MMZZWZYIDNIBKH-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(N)C3CCCC2CCC3)C1	2050012032	LGHMOQKSCMFKJR-VATXVYSQSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@@H](O)C[C@H]1CCCC(C)(C)C1	2050429889	ZQIZRULQKYOJDJ-ZBFHGGJFSA-N	246.394	4.635	0	10	BJAE	
CCC1(CC)CCC(N)(C2[C@H]3CCCC[C@H]23)CC1	2051592411	ARUZQJAJNCSZBT-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
Cc1cc([C@@H](N)C2(C)CCCCCCC2)oc1C	2052468715	HRRXKBRTRHKRGP-OAHLLOKOSA-N	249.398	4.647	0	10	BJAE	
CC(C)(C)C1CCC(=C2C[C@@H](CN)C2(C)C)CC1	2053040092	CREAXHAPGXSYBA-KZUDCZAMSA-N	249.442	4.524	0	10	BJAE	
CC(C)(C)CCN1CC(C)(C)Cc2ccccc21	2055495950	JRSQOUVOTJMIAR-UHFFFAOYSA-N	245.410	4.512	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)C1(C)CCCCC1	2056866866	AJCKVUQORYOHHC-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C[C@@H](C)C2CC2)cc1	2057357467	KZMUNQVUDFROBQ-QWHCGFSZSA-N	244.378	4.819	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC2(C3CC3)CCCC2)C1	2057604051	NHVWPUDPDMZXGB-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C(=O)C2(C3CC3)CCCC2)CC1	2057605033	YHKOYLGBZNDTFU-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@]12CC[C@](N)(CCC3CCCCC3)[C@H]1C2	2058568290	CBLRPRUDBUHGAH-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CC(C)=C[C@H](C)C1	2059250673	SHZUMZDYCMOHQQ-GSRAHHCKSA-N	249.442	4.703	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCC3(CCCC3)C2)CC1	2061122914	SPUUQEJCHDCEKS-PBHICJAKSA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)CC2(C)CCCC2)CC1	2061140894	QTCSPZKLIWTOSU-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H]1CCC[C@H]1C(C)C	2061559065	ZVJWKTUJMJYAOO-BBWFWOEESA-N	249.442	4.548	0	10	BJAE	
C=C=CCC[C@@H]1CC(C)(C)CC[C@@H]1CNCCC	2061563134	LVRGSVRMNHDPKG-HZPDHXFCSA-N	249.442	4.550	0	10	BJAE	
C=C=CCCC[C@H](NCCC)c1ccc(C)cc1	2061565707	FJGSIZVAPXSEGD-KRWDZBQOSA-N	243.394	4.547	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@]12CCC[C@@H]1C2	2061602870	PZSXIQJRVJJISS-CXAGYDPISA-N	242.362	4.573	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C[C@@]12CCC[C@@H]1C2	2061616513	JXINTRNANTXECP-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNc1ccc(C2CCC2)cc1	2062645503	GBSCCWDFXGDKRO-CJNGLKHVSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@]1(N)CCCC12CCCCC2	2062645946	IYMZOJCWFMBSMC-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCCC1	2063476862	MSCYDUFYIFMAEF-ORQFMDKSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC12CCC(CC1)CC2)C1(CC)CC1	2065310687	PGUQOJFQCDIMPR-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
C[C@@](CN)(CC12CCC(CC1)CC2)C1CCCC1	2065334097	ZXCWCZBDHKHWFN-WIHSUSGWSA-N	249.442	4.502	0	10	BJAE	
CC[C@@](O)(CCC(C)C)c1cc(C)c(C)cc1C	2066000463	QZFQCXJQCZPPAI-QGZVFWFLSA-N	248.410	4.646	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]([C@@H]2CCC3(CCCC3)C2)N1	2066374682	BUSYKICYLZUEOK-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2[C@H]3CCCCC[C@H]32)CCCC1	2067531013	VZAXTGOGRSFWRL-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)C1(CC(C)C)CC1	2069518780	DKGQSDRZFQDAAA-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C(=O)CC[C@@]23CCC[C@H]2C3)CCC1	2071931118	VNPIKUNATSPFLJ-XJKSGUPXSA-N	248.410	4.742	0	10	BJAE	
CC(C)C1(C[C@H](N)CC23CCC(CC2)C3)CCC1	2071940407	KDCAYZYPWSRVLR-HWOWSKLDSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)CC[C@H]1C[C@@H]1C	2072089660	DIBOZHMAVUKYMO-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2072422810	FFZQLQPLFAKVKJ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)C[C@H]3CCC[C@H]32)CC1	2072807453	WJPTWEOUUHNFKR-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@]23CCC[C@H]2C3)CC1	2072872607	DRSVDJGJQYNAIQ-QBYUYEEZSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(CC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CC1	2072875330	MPRULLOFPJNSNS-RDCKGOQXSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CC[C@H](C)CC2)ccc1F	2072876358	ZLODZAOEURVWOH-AULYBMBSSA-N	248.341	4.533	0	10	BJAE	
CN(CCC1CCCCC1)[C@H]1CCC12CCCC2	2074887143	AJSILTNUFSXTIU-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC1CCC(N2CC[C@H]2C2CCCCCC2)CC1	2075113777	FCVLXAZNESGVCY-PREGVCBESA-N	249.442	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1C(C)=CCC[C@@H]1C	2077195489	OCYLTYNXYLIUHN-XIRDDKMYSA-N	249.442	4.703	0	10	BJAE	
CCCCCc1ccc([C@H](N)CC2CCCC2)o1	2077987554	WBOWVLUAIUQELO-OAHLLOKOSA-N	249.398	4.592	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)[C@H]1C[C@@H]1CC	2079221787	OJQFYWOBHYUXOB-JQFCIGGWSA-N	245.410	4.507	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@](O)(CCC)c1ccccc1	2079552027	BTPRLRAPHDHFPK-INMHGKMJSA-N	246.394	4.501	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@H]1C1CCCCCC1)C1CC1	2079821464	VNSHTMCOZPEPDL-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2CCCC3(CC3)C2)C1	2083039265	SONODVWVQYRJAR-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](O)CCCCCCCCC1CC1	2212447140	XHZIWZHDIFGXOW-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
C/C=C/CCCc1cc(C)c(Cl)cc1OC	2212643559	RMXKYXJWGLXIJE-SNAWJCMRSA-N	238.758	4.556	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@H]1CC[C@H]1C	2215095065	CICSAWMUKOGGMD-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CC2(C)CC(C)(C)C2)C1	2215434359	QTLHHUULBVVTOU-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)CN[C@@]1(C)CC=C(C)CC1	2215793099	GFYOPDGLCMPGOG-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](C1CC1)[C@@H](O)CCCCCCCC1CC1	2216882687	BMLSKLVZYBWCLN-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1(CCC[C@H](N)C2C[C@H]3CCC[C@H](C2)C3)CC1	2218347009	UTQJRNRYKDUBBW-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)[C@]12CC[C@H]1C2	2218724478	IXLBKRGPQWPISW-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C/C=C/c1ccccc1	2219060854	AXSWJTYXNFXXTD-BSBMYWPDSA-N	246.394	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](C=C2CCC2)NCC)CC1	2222299737	XOJGNUCWHDTYMH-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC(=C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@@H](N)C(C)C	2222947518	AQBYPHDTKBXRHD-QAETUUGQSA-N	249.442	4.523	0	10	BJAE	
CC(C)CCC(=O)CC[C@H]1CCC[C@H](C)C1	2242763924	SKBNPAXCXMQJAG-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cscc1C(F)F	2244778944	BSSCUJBLQVQMSH-KWQFWETISA-N	248.338	4.545	0	10	BJAE	
O=C(c1cc2sccc2s1)[C@@H]1C=CCCC1	2246040107	SSZUDVJYENPZRF-SECBINFHSA-N	248.372	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H](C)C(C)(C)C	2248867308	VAAHEYCTDIVOPN-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
CCCC1CC(O)(CCCCC[C@@H]2C[C@H]2C)C1	2248868898	DYDGEJVLTAJAJO-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)CCNc1cc(C2CC2)ccc1F	2250111924	FJCKKKYUYPEKNF-LLVKDONJSA-N	235.346	4.551	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)c1ccc(C2CCC2)s1	2250282283	VWRQOUPNYAJCBJ-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H](CC)CCC	2250356672	FNOBKPQZIJHIBP-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](C)C1CCC(C)CC1	2250382573	FBVLKXNAHQWXQM-PWUWZPNHSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@]12CCC[C@H]1CC2	2251215622	LSCPSQCFABDVKO-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@@]12CCCC[C@@H]1CC2	2251217447	GRXCVCQNQTYTMG-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC1CC(CC[C@@H](O)CC2(C)CCCCC2)C1	2251759968	WECNMNOFOJZSGA-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@@H]1CCCC[C@@H]1C	2252640436	VJRJSJKPSKVULL-JKSUJKDBSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](Oc1ccc([C@H](C)CC)cc1)C(F)F	2253074053	QUIFOPCPKSZDKJ-MFKMUULPSA-N	242.309	4.623	0	10	BJAE	
CC1(C)CCC[C@H]1[C@H](N)CC1CC2(CCCC2)C1	2254121853	UQUNSBGNKBZCPF-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(CC1=CCCCC1)CC1CCCCC1	2255139740	FCMOXLQUTPODSL-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCC1CCC(C(=O)[C@]23CCCC[C@@H]2CC3)CC1	2260523023	ZUMGARJIHBRCCM-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc(NC[C@@]23CCC[C@H]2CC3)c1	2260593051	UNKRFORCWFPFIY-RDJZCZTQSA-N	243.394	4.802	0	10	BJAE	
CC1=C[C@](N)(CC2CC(CC(C)(C)C)C2)CCC1	2261264171	OVVKUOMKSXWFIC-DQPZFDDXSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@H](C)CC1CCC1	2298849120	KSEASWPOYFZNGV-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)[C@@H](C)CC1CC1	2298851996	LUXAIILNWIJMPY-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@]1(O)C[C@H](C)CC(C)(C)C1	2300680626	GKCQVWZGEWENHE-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@H](N)C[C@@H]1CCCC12CC2	2300682187	WOEFYKYOQGGLGT-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@H](CC)CC(C)C	2300686065	MCNAFENXCPZNEW-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC[C@@H]1CC[C@H](C)CC[C@H]1NC	2300686166	NJHOKCAXWUOFOL-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CC(=CC[C@H](C(C)C)[C@@H](C)O)CCCC(C)C	2300868965	DPCZJSXRTNYJMR-HZPDHXFCSA-N	240.431	4.802	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@]1(C)CC1(C)C	2300869649	LFKCUBJCUHCIRE-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CCC[C@H](C(C)C)CC1	2300880605	LYFJFSNXGFEIPO-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)C[C@H](C)C1CCCCC1	2301945559	NLLBTPSSJPBSJS-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCCC[C@H]1C[C@@H]1C	2302635587	LAANPYGGWQTILQ-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CC(=O)CC(C)(C)C2)C1	2302874075	ROEUIDGKXLKXAN-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](C[C@@](C)(N)C2(C)CCCC2)C1	2302897379	ZLUNQHXHLRZAOK-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303466246	ULTQWASALBPXJG-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)C[C@@H]1CCC(C)=C(C)C1	2303520384	DEGFPCISYJBLKP-PMPSAXMXSA-N	237.431	4.523	0	10	BJAE	
Cc1cccc(N[C@H](CC2CC2)C2CC2)c1Cl	2303738941	WYUKQGAPDOHDNI-CQSZACIVSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC[C@@H]1CCC(C)(C)C1	2304360041	PKMQIBGDRUHGSI-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)N(C)CC[C@H]1CCC(C)(C)C1	2304393184	DHLCURTXMSYZKU-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CC[C@@H](CC[C@H]2CCC(C)(C)C2)CC1=O	2304425722	OGEAPZDNBVTURE-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)Cn1ccc2cc(F)ccc21	2307806765	RJKXSDZTTJKPKQ-GFCCVEGCSA-N	233.330	4.607	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCC12CCCC2	2307824531	WPWYMUGYJPWHMF-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1CCCCCCC1	2307903768	PTHBYROBJFDOAL-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1	2309167442	YBCDFGILHMRCCG-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2311152451	PNEKMNODCKEHBU-FSDCSDTHSA-N	246.394	4.518	0	10	BJAE	
CCc1ccccc1[C@](C)(O)CCC(CC)CC	2316236764	YHTZGWXLIWLZCG-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CCC(C)=CC[C@H]1CCCCC[C@@H]1CNC1CC1	2316567361	HLVXMAFFSFAKKN-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2316793825	ZIOMASIJBRWTKK-BFJAYTPKSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@@H]1C[C@H]2CCC[C@H]1CC2	2316946027	PEADJAPURIACMR-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
C=C=CCC[C@H](CCC1=CCCCC1)NCCC	2317911895	MDBBYLXQGKDREH-QGZVFWFLSA-N	247.426	4.757	0	10	BJAE	
O=C(CCCCC1CC1)C[C@@H]1CC2CCC1CC2	2318888729	PVMXPAGBYNMKGF-GPANFISMSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)CC12CCC(CC1)CC2	2318943875	KSPXHGXVFSOPBA-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cc(F)ccc1C1CC1	2319176150	NODZUTMVGJHYAT-GHMZBOCLSA-N	248.341	4.568	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@@H]1CCC(C)=C(C)C1	2320230326	GJGFLJVIHNLQNH-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)c2cccc(C)c2)CC1	2320341178	RHQQEOXSRVGNCL-RDJZCZTQSA-N	243.394	4.521	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(CN)CCC[C@H](C)C2)CC1	2320348635	SERBKOGUYASBBS-IAOVAPTHSA-N	249.442	4.668	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@]2(C)C=CCCC2)CC1	2320414439	RUFBSPICJABIKD-WBVHZDCISA-N	246.394	4.829	0	10	BJAE	
CC1(C)CC[C@@H](CCNC2(CC3CC3)CCC2)C1	2321543101	URQJNBJAQQVDKM-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@H]2CCC3(CC3)C2)C1	2321642581	PMHHVLPQBQOSBU-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](O)c1cc(C)ccc1C(C)C	2327696313	CHDPIJADXMARQU-UNEWFSDZSA-N	246.394	4.588	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@H](C)c1ccccc1	2328267907	DJIFGQBISWGKBE-HLLBOEOZSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)c1ccccc1CC	2328282349	OJZLFNJNMBDYPJ-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CCCCC[C@@H](N)c1ccc([C@@H](C)CC)cc1	20481355	JZXKHADRKCQPFB-XJKSGUPXSA-N	233.399	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1NC1CCCCCCC1	21516507	CVBCSYZRBRFIBP-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](c1ccc(C)s1)[C@H](C)CCC	35573097	JAIQWUVHHWACJU-RISCZKNCSA-N	239.428	4.533	0	10	BJAE	
CCCCC[C@H](O)c1cc(Cl)ccc1Cl	40260669	PBBDPSNMAVRJRX-LBPRGKRZSA-N	247.165	4.607	0	10	BJAE	
CCCCCCNc1cccc(O[C@H](C)CC)c1	66171349	JHTKEGXHNQOWFW-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
CCCC[C@@H](CC)NC1CCC(CC)CC1	68987046	HKBXOFLCHPFRNJ-SHARSMKWSA-N	225.420	4.514	0	10	BJAE	
Cc1nc2c(C(C)C)cccc2c(Cl)c1C	71084752	IJBRGWPUBPLRCY-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H](C)c1ccccc1	83377764	DVYHAINODKWJGQ-NVXWUHKLSA-N	247.426	4.739	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@H](C)CC2)cc1	86879131	DVYGWEAXCQIRHQ-DZGCQCFKSA-N	231.383	4.630	0	10	BJAE	
CCCc1ccc([C@H](O)C2(CC)CCCC2)cc1	94906786	JTOZLMQDDGBAQB-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)c1ccco1	94984392	XVIDJMDRPCTXBK-CYBMUJFWSA-N	237.387	4.537	0	10	BJAE	
CCCC[C@H](CC)c1nc2c([nH]1)C[C@@H](C)C[C@H]2C	122435456	BYZITFSINLZKDK-XQQFMLRXSA-N	248.414	4.779	0	10	BJAE	
CCCC(CCC)Nc1cccc2ccncc12	131078628	RZLOKEBVAGUJEJ-UHFFFAOYSA-N	242.366	4.616	0	10	BJAE	
CCCc1cccc([C@@H](NCC)[C@H](C)CCC)c1	131660362	VQUSZNXCMWXKNI-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@@H](C)CC1CCCCC1	133203699	SDCXSHMBALADMT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@H]2CCC(C)(C)C[C@@H]2C)c(F)c1	155849675	JMOOKOFESAULOV-JSGCOSHPSA-N	249.373	4.761	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)c(C)c1	166086018	QSMGEJOYPXGSBC-GZBFAFLISA-N	244.378	4.558	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H](C)C1)C1CCCCC1	218188479	IIGWWXHXTGGNDD-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)cc([C@H](N)[C@@H]2CCCCC2(C)C)c1	226807509	SGEPXYSZHQGMJW-HOTGVXAUSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCC23CCCCC3)C1	230171739	UVAFBHVMBZBTQW-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](C)Cn1ccc2cccc(Cl)c21	233333080	UHFKUUXKRCSEHL-NSHDSACASA-N	235.758	4.731	0	10	BJAE	
CCC[C@H](CC)NCC1(CC(C)C)CCCC1	233344845	UJTUGJQANOSFBV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)c2[nH]cc(C3CCCCC3)c2c1	235984015	BZZKEPSSINBYSW-UHFFFAOYSA-N	227.351	4.832	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C[C@@H](C)C[C@@H](C)C1	251299605	HIHWMLJDKRMNPV-FZKCQIBNSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CC2=CCCCC2)C1	253184977	WWMYFQNQDFEHKX-NHAGDIPZSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCC2CCCCC2)CC1	302298099	YYNBPOPLTLDFNE-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC(C)c1ccc(C[C@H](O)CCC(C)(C)C)cc1	305911844	ISZAQBJXVRKBHD-MRXNPFEDSA-N	248.410	4.540	0	10	BJAE	
CN[C@H](c1ccccc1)[C@H](C)C[C@@H](C)CC(C)C	305915717	GTKAFVBGJCIWDV-UXLLHSPISA-N	247.426	4.656	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cccc(C2CCC2)c1	305953013	DCXJSVYHXUVTQB-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CCC1CCCCC1	308037678	WGBRQTGRWOAYOY-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC1CC1)[C@H](CCC)CC(C)C	308057588	RINIRPMDSBLXKO-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC(=O)[C@H]2CCCCC2(C)C)CCC1	310214276	FOEINOWSHJOOTJ-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)C(C)(C)C(C)(C)C)C1	310551571	GOSSAHWZPQQPCC-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](N[C@H](c1ccccc1)C(C)C)C1CC1	310739883	DKTWMHGDAFRDMY-IRXDYDNUSA-N	245.410	4.552	0	10	BJAE	
C[C@H]1CC[C@H]1Nc1ccc(-c2ccccc2)cc1	310849484	CTRREYMMXYHZKB-SUMWQHHRSA-N	237.346	4.564	0	10	BJAE	
CC(C)(CCC1=CCCCC1)CNC(C)(C)C	317930289	LUFSHOVSPSDALD-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1ccc(C)cc1Cl	320212189	RYAZFFDYRXUUMV-MNOVXSKESA-N	238.758	4.513	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H](C)[C@@H]2C[C@H]2C)cc1	322149863	IDQJFPFXVAQRMD-VPWBDBDCSA-N	231.383	4.657	0	10	BJAE	
C[C@@H](Nc1cc(Cl)ccc1Cl)C1CCC1	379078466	WTHQMPBCSQOPCV-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
C[C@@H](NC1CCCCCC1)[C@@H]1CC2CCC1CC2	381596227	FLJNAQYZWGVSLS-VXTDNTOSSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCCCCC(=O)C(C)(C)C	383172985	SNSRIFMUOONCTK-UHFFFAOYSA-N	226.404	4.988	0	10	BJAE	
Cc1ccc2ccn(C3C[C@@H](C)C[C@H](C)C3)c2c1	384704629	DYUXEPXLFOJUGS-KBPBESRZSA-N	241.378	4.947	0	10	BJAE	
CC[C@](O)(C[C@@H]1CCC[C@@H](C)C1)C1CCCC1	387506106	DMLIPOSLQUTMAG-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@H]1C[C@@H]1CC	387797092	GRJXKWFAHXXKEG-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1NC[C@H](C)C(C)C	393783690	VMAOVKFDFNYCNY-ZDUSSCGKSA-N	219.372	4.514	0	10	BJAE	
CC[C@@H](C)CCNCC1(CC(C)C)CCCC1	394429208	TUSPOHABZKUKHD-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)CCN[C@H](CC(C)C)c1ccccc1	394462159	PIYCQJKVRKGYSR-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
CCOc1c(C(F)F)cc2ccsc2c1C	396234697	DZNTXERGYSBLIS-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC)(C[C@@H]2CC=CCC2)C1	402160679	RRZAPPZYALZSSM-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CCC(C)(C)C1CC1	406026084	JUMQQFOCHXKYKO-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCc2c([nH]c3ccc(C(C)(C)C)cc23)C1	527397271	YDQXSMDLRHCADE-NSHDSACASA-N	241.378	4.590	0	10	BJAE	
C[C@H](CC1CCCCC1)NCCCC1CCC1	688405670	OAZZHZGWXKOMEK-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](Nc1cccc(C2CCC2)c1)[C@@H]1C[C@H]1C	690161412	WUOLYAQUCLCPGS-JLZZUVOBSA-N	243.394	4.801	0	10	BJAE	
O=C(CCC1CCCC1)C[C@H]1CC2CCC1CC2	691654875	HRLWPWCCOYBHSC-UYSNPLJNSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@@H]1CC2CCC1CC2	691752671	RGZJALYZUOPHIP-SJJHQCBESA-N	249.442	4.501	0	10	BJAE	
CC(C)(CCC(=O)[C@H]1CCCC2(CC2)C1)C1CC1	695922260	GUVGCJHMRGFWIN-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCC(C)(C)CC1	697580131	RPCDWERSDUGZFB-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CC(C)=CCCC(=O)C1CCC(C(C)C)CC1	697779750	KDCNGNZQUNPIEX-UHFFFAOYSA-N	236.399	4.764	0	10	BJAE	
CC[C@H](C)c1ccc(NCC2C[C@@H]3C[C@H]3C2)cc1	700097334	ZOJARDKFTIDFAU-APHBMKBZSA-N	243.394	4.658	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCC(C)(C)C[C@H]1C	704494717	HFVVGSWSWSAESC-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)CCC(C)(C)C1CC1	704557678	NPLYVLIOWVHDBK-TZMCWYRMSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC[C@@H]2CC=CCC2)CC1	706869226	OQBPIEKBAULSQU-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCCCCC1(N)CCC2(CC1)CC2	707528234	OSZHRTZMHWOUOU-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C[C@H](COc1cccc(Cl)c1)CC(C)(C)C	709109593	KSEKFQUMJZKBNJ-NSHDSACASA-N	240.774	4.791	0	10	BJAE	
C[C@H](C[C@H](O)C(C)(C)C(C)(C)C)CC(C)(C)C	709133336	YVNYYILFPLILAB-OLZOCXBDSA-N	242.447	4.882	0	10	BJAE	
Cc1cc(N[C@H]2CCCCC[C@@H]2C)ccc1F	709147500	HWEJSTGOOMTAAG-NHYWBVRUSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H](C)C(C)(C)C)NCC	711156499	HHMNPWABODNBGD-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)C[C@@H](CNC(C)C)C1CCCCC1	711317639	CJXVWVXBKVMXPO-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NC[C@@H]2C=CCC2)CC1	711687480	SHULBRLHCCGJES-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC1(CN[C@@H](C2CCCC2)C2CCC2)CCC1	711835819	RKCVMXBAOKTEQJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1CCCCCC1	713314553	LCLGNMJUTAQPEW-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)CC[C@@H]1C[C@@H]1C1CC1	714784225	VODDDAIENXPQLP-CMKFXNONSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@@H]1CC(C)(C)CC[C@@H]1C)c1ccccc1	717540933	PCUYZKGRVFRORE-OFQRWUPVSA-N	245.410	4.552	0	10	BJAE	
CCCNCC1(CC2CCCC2)CCC=CCC1	718133068	FFWAJKGCTUHVFV-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)[C@@H](C)C1CCCCC1	718685006	BJLRCTHVWPBOGD-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CCC(C)=C(C)C)C1	718728339	ISJBLLLFMWEDES-HOTGVXAUSA-N	237.431	4.668	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCC(C)=C(C)C)C1	719176518	ZKTLWAIMVVXUHM-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CCCCC1CCC([C@@H](N)C[C@H]2CC23CC3)CC1	723182913	NZDIIGQNRNNGEG-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@]12CCCC[C@H]1C2	822080318	HANQPAYRYJVKFQ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](NCC2CCC=CCC2)CC1	1179652652	XUKFBMBOPIEUMX-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C1=C(CCN2CCC3(CCCC3)CC2)CCCC1	1559860968	VKNQCAHGWYWKOM-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
C=C/C=C/CCN(CC(C)(C)C)c1ccccc1	1617353001	RXEOFEYDPQDUSX-VOTSOKGWSA-N	243.394	4.671	0	10	BJAE	
C=C/C=C\CCN[C@H](CCC(C)C)C(C)(C)C	1653026308	AWHDQKXVKLKZRT-WHLNPGIBSA-N	237.431	4.559	0	10	BJAE	
CC(C)CCCc1cscc1C(F)F	1889460254	IGAMAIJJPNRBLY-UHFFFAOYSA-N	218.312	4.664	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCC[C@@H](C)CC1	1900712701	KLSPILYTMKXXGO-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@](CC)(CO)C[C@H](CC)CCC	1905386035	DGGHRFRTZKLRSW-CABCVRRESA-N	228.420	4.782	0	10	BJAE	
C[C@@H](CN[C@H]1CCC2(CCCCC2)C1)C1CCC1	1915856008	VYXDFBNSOJHKIH-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H]1CCCC[C@H]1C	1919958671	JAGKGTWZBZLTBF-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@](C)(O)CCC1CCCC1	1919960430	OGXQDMNYZQMQQQ-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CC1CCC(C)CC1	1919960485	ONHLAJHXEXVXCW-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCC(C)=C(C)C	1919960610	DVJKWEXLWIKFCP-ZFWWWQNUSA-N	226.404	4.700	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C1CC(CC)C1	1921256901	JCHZBAFZHGIVLC-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@@H](C)C2CCCC2)cc1	1923893122	NCNORWPXLJKYQF-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CCCC[C@H](N)CC[C@H](CC)CCCC	1933335685	IVQPIWZOBXLGRA-KGLIPLIRSA-N	213.409	4.501	0	10	BJAE	
CCCNC[C@H](CC1(C)CCCCC1)C(C)C	1940406110	KLBVKBAYHFELDY-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC1CCC([C@H](O)CC2(C)CCCCC2)CC1	1940407130	IHYCOLBDJMDEOR-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@H](N)CC1(C)CCCCC1)C(C)(C)C	1940410572	SCSCWIHBURMOOR-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CC(=O)c1ccc(SCCCC2(C)CC2)cc1	1940881056	KQANJQLURRPTLP-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCN[C@@H]([C@@H](CC(C)C)C(C)C)[C@H](C)C(C)C	1941265940	YFFQEUVBRNMISC-OWCLPIDISA-N	241.463	4.575	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NC)C1=CCCCCC1	1941271575	FELVHPGAYQACKL-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)c1ccc(NCCC2CCC2)cc1	1941374902	COPJHNPYDOZTGF-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
Cc1ccc(O[C@H](C)c2ccccc2)c(Cl)c1	1941871227	WDDXHMOVAGWIAD-GFCCVEGCSA-N	246.737	4.788	0	10	BJAE	
CCC(C)(C)c1cnc(Nc2ccccc2)s1	1943997617	KEGQTHFLZLQCJR-UHFFFAOYSA-N	246.379	4.574	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C[C@H](C)C1CC1	1944497831	POQWABLGMWTBJV-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](O)C(C)(C)C1CCCCC1	1944618068	JIWBRTPNBLBVMV-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cc(C)ccc1F	1947466290	SUDIGAUVKWQGJP-OCCSQVGLSA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1NC1CCCCCCCCC1	1947879514	CCAGMXQUEXOSBN-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@H](CCC(F)(F)CC)NCCC	1947993077	KLXXMOQBDWCQGA-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
CC(C)CCCCCN[C@H](C)[C@@H](C)CC(C)C	1948333902	VVOFSGIWJPTZHD-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@]1(O)C[C@@H]2CCCC[C@@]2(C)C1	1948593805	USJSYJOBTITING-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2CC2(C)C)CC1	1948994039	IKFYGRAAWDWMDX-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1949086934	WIYQLORXJQAWTI-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C[C@@H]2C=CCCCC2)s1	1949158169	OUVVJYHXUXQCKA-KGLIPLIRSA-N	249.423	4.501	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)CC1CC(C)(C)C1	1949733329	JFPJUNNOAAZHQX-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CC1CC1)NCCC1(C)CCCCC1	1950099987	JRTAGJRTMDEJAR-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(CCC2(CO)CCCCC2)CC1	1950373530	UTVKWQSHZGVPLO-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CC(C)(C)CC[C@]1(CO)CCCC(C)(C)CC1	1950911024	LGMVFQXVIKWIAL-MRXNPFEDSA-N	240.431	4.782	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1cc(Cl)ccc1Cl	1959209533	OROANNWIKBIAEO-KWQFWETISA-N	244.165	4.594	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCC3(CCCC3)C2)C1	1967782046	DVMDDTJJPYRPCY-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](NC[C@@]1(C)C=CCCC1)[C@H]1CC1(C)C	1967836134	BADLXJDFYZUJLW-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](C)COc1cccc2ccccc12	1968276236	YLZNFNQHBXRZGS-ZDUSSCGKSA-N	228.335	4.511	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCC[C@H](C)[C@@H]1C	1968347005	UYJHZAFZZXLJDW-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@H]1CCC2CC1C2	1969958243	DGIBLKTYDHFEFN-QOJXUVEWSA-N	241.378	4.555	0	10	BJAE	
CC[C@H](NC[C@H]1CCCC(C)(C)C1)c1ccco1	1970087615	YNPZXFRCFVUFJI-KBPBESRZSA-N	249.398	4.537	0	10	BJAE	
CCC(CC)N(CC(C)C)C[C@@H]1CC[C@H](C)C1	1971358611	FDRINADMYVXKBV-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CCC[C@@H](C)CC1	1984575387	MIMJWGHUJRZDEH-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)CCC(C)C	1986948751	RFEKSNUGKWVLAG-HUUCEWRRSA-N	227.436	4.616	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@H](C)CCC(C)C	1990901858	YALYQYGSELCQFB-HUUCEWRRSA-N	227.436	4.568	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H]1CCCCC[C@H]1C	1995751474	JRYBMIUIQFEFFJ-CVEARBPZSA-N	237.431	4.633	0	10	BJAE	
CCCCC[C@@H](CC[C@@H](C)C(F)F)NCCC	1996090959	YAPQURAQZHRDHO-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
C[C@H]1CCC[C@@H]1Nc1ccccc1SC1CC1	1996551045	ZIQADHSHTBYGIF-AAEUAGOBSA-N	247.407	4.542	0	10	BJAE	
CC[C@@H](C)C[C@]1(O)CCCC2(CCCCC2)C1	1996645414	JKIHMRGJWPXMKN-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CC[C@@H]1CC(C)C	1998749277	PCPYLLXQHLXPDE-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(OC[C@@H]2CCC=CCCC2)cc1	1999985382	IZJBFUYTWPYRNZ-OAHLLOKOSA-N	230.351	4.510	0	10	BJAE	
CCNCC(CC)(CC)[C@@H]1CCCC(C)(C)C1	2000499072	GYKFNJUMUURCHU-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C[C@H]1CCC12CCC2	2001844209	LOEBIORKSRLIOB-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C1CC(C(C)(C)C)C1	2002327917	LOPOFIZYSCRZJB-USPMSXPRSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1(C)CC1)NCCC	2002507322	MXGURZNCIBRRIG-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)C2CCCCCC2)C1	2003012844	CNAKESSDODUCTL-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCCC)C1CC=CC1	2005752198	DXQCLKXYCHNLOI-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H]1CCC[C@H](CCCCCC(C)C)[C@@H]1C	2006979270	LZKHNNSFVLHKKZ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@H](O)CCCC(C)(C)C	2007624149	ZVLCUKNICNRARO-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
CC1CCC(C)(C(=O)[C@H]2CCC[C@@H](C)C2)CC1	2007683865	WEJODJPXWGQEHR-IQXANGCESA-N	236.399	4.598	0	10	BJAE	
OC1(C=C2CCCCC2)CCCCCCCC1	2007921398	MATISRATJJRLAR-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCC(C)(C)CC[C@H]1NC	2009407012	KHFFDCCSQNTLAS-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCC(=O)C1(C)CCC2(CC2)CC1	2009577205	MBZMLEWJGSAHST-ONEGZZNKSA-N	234.383	4.662	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)C1=CC[C@@H](CC)CC1	2010704850	AAHKNZZYWIDENH-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](N)C1=CCC(C)(C)CC1	2010729142	LUYJHBVZWJZZRE-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC1(CN)CCCCCCC1	2011580733	JAWVOZSDQPLHRO-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H](C)C(C)C)NCCC	2015269760	IFSRBSULPSORIM-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CCC(C(C)C)C(C)C	2015332710	AAXVDUASUHCHCX-GOEBONIOSA-N	242.447	4.738	0	10	BJAE	
CC[C@H](CCC(C(C)C)C(C)C)CNC(C)C	2015343132	BZIBEXPTPLRUMG-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CC1(CCC)CCC1	2015640243	QBCAKOLBVBHELY-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C[C@H]1C[C@@H]1CC	2016852572	RGUPJYZOHDRSFQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN(CC(C)(C)C)CC1(C(C)(C)C)CCC1	2017123464	BASAGXGZOIPVLS-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC(C)C(CCC(=O)CC[C@H]1C[C@H]1C)C(C)C	2017235795	HJLLSKKMDDDFAK-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CCC[C@H](C)C1	2017485501	FQTZLHPPAAWXMY-CWRNSKLLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(O)CC1CCC(CCC)CC1	2017653380	RWCLLRCWWZHNHO-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
CCCC1CCC(CCC2(O)CC(C)C2)CC1	2017721554	ZBMHRFFKNWEIFU-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@H](CC)CNC(C)C)CC1	2017721738	CCASKKWTTWFRGZ-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@H](N)C2(CC)CCC2)CC1	2017726031	WIZVPXXSHOBYAL-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1CC[C@H](CC)CC1	2017767819	ALDIIBHZQJUGLI-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCCC1(CC2(CNCC)CCCCC2)CC1	2018972776	FVPHLDWSNVNCOQ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC1(C)CC(CN(C)CCCC(C)(C)C)C1	2019327577	IFAQVKUDSXNRJA-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC(C)CC[C@H](C)N1CCCCC12CCCC2	2019415170	YAHHQAKODMSMCG-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CC(C)CCC(=O)[C@H]1C[C@@H]1C1CCCCCC1	2022416246	ATRUMGJGELCOPF-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1C[C@@H]1C(C)(C)C	2022453670	IDWOLWMYVQZFPM-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CCC)C(C)(C)C	2022496309	QLEWLJWDMOFHQE-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC[C@H]1CCCC(C)(C)C1)C(C)C	2024091210	GGIUNWIBMWMPBY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCCCC2=O)C1	2024103452	ZVZOCGSMJJZEAV-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)C1CC(C(C)C)C1	2026163771	NBXISEHQASKDFC-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1cccc(C)c1	2026165564	CLLWHGMTXXKNCX-CJNGLKHVSA-N	233.399	4.601	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CCC[C@H]1CC1(C)C	2027835269	AAKSNTSDJMEKFO-GJZGRUSLSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)c1cccc(C)c1C	2028252484	OLBJFPXKPSJVJK-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CC1(CN[C@H]2C[C@H]2C2CCCC2)CCCCCC1	2028461318	HXDQWHLAXQVMQT-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C(CCNC1CC2(CCCCC2)C1)CCC1CC1	2028877647	LJAYOKUSWFHZBL-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](c1ccccc1CC(C)C)C(C)(C)C	2028914404	GBKYRLLGGDPFCV-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
C[C@H](N[C@H]1CC(C)(C)CC2(CC2)C1)C1CCCC1	2030285581	AVKOHFJXIGGFGB-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H](C)[C@H](N)c1ccc(C2CCCC2)cc1	2031745294	KVAFJVZYGZTBHU-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccccc1C1(C)CC1	2032242291	FUOIIXWWKQZQDG-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
CC(C)Oc1ccccc1NCC(C)(C)C(C)C	2034021421	RBOAFVWUXYACEN-UHFFFAOYSA-N	249.398	4.568	0	10	BJAE	
CCCC1(CN[C@H]2CCCC3(CCCC3)C2)CC1	2034364657	RWKQNYRGSSJXNF-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@@H]2C=CCCC2)cc1	2035595134	WTJXIOJPZBDPCW-RHSMWYFYSA-N	244.378	4.590	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2C=CCCC2)CC1	2035595928	ZZIPWOVGRXKMSM-AQFXKWCLSA-N	249.442	4.811	0	10	BJAE	
CC1(CCC[C@@H](N)c2cccc(C3CC3)c2)CC1	2036356549	YSTGQVPXFNBFNB-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
N[C@@H](CC1[C@@H]2CCCC[C@@H]12)C1CCCCCCC1	2037185111	BWYKJNPCMLTIAW-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H]1CCC(C)(C)C1	2037578079	LRKGUFNEBRWDOE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C(=O)[C@H]1CCC2(CCCC2)C1)C1CCCC1	2037683702	UVFSUGMKGLBVAM-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](C[C@H]1CCC(C)(C)C(=O)C1)c1ccccc1	2037873905	BTOIPHQBNWSGKM-UONOGXRCSA-N	244.378	4.576	0	10	BJAE	
CCC1(C[C@H](CC2CC3(CCC3)C2)NC)CCC1	2037975426	XLFNESTYGZKRHJ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CCC=CCC1)CC1CCCCC1	2038165748	MSLIGARGCYUCDC-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC(C)c1ccc(NC2C[C@H]3CCC[C@@H]3C2)cc1	2038623047	QTMSDCGRPJXPQJ-HUUCEWRRSA-N	243.394	4.801	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)C[C@@H]1CCC[C@H](C)C1	2039440568	GJUUNWVDQDKRCT-WSOGKROESA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)[C@H]2C=CCCC2)CC1	2039522639	UBOBYEPNQULCOA-SLTXQBBLSA-N	249.442	4.523	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1CCC[C@H]2CCCC[C@H]21	2040312755	GVDRWCVUUXDGDI-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
C[C@]1(CNCCCC2CCCCC2)CC=CCC1	2042072500	QDPRGPVXWWXVSC-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](NCC2(C)CC=CC2)CC1	2042075445	AGCBSXXFNQLVQM-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)[C@H]1C=CCCC1	2043187390	LGURMQGRPWOMEL-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
C1=CCC[C@H](CN2CCC23CCCCC3)CCC1	2045305105	MEEWFVZKQQSEDA-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CN[C@@H](CC1CC(C)C1)C[C@H]1CCC=CCCC1	2045328678	GYYJBFBZEPZKNP-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CNCC1(C[C@@H]2CC23CCCC3)CCCCCC1	2047012805	QVUYLUGJNICVSO-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCCCCN1C[C@H]1CC12CCCCC2	2047028417	YHWWOGXHNXYADM-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@H]1CCC12CCC2	2047943644	SODAIUMIQHBBAO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC1(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CCCC1	2048465459	JYTZAXQEYVVYRJ-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2[C@H]3CCCCC[C@H]32)C(=O)C1	2048470439	PWKSHZGWMAFPMA-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC([C@@H]2C[C@@H](C)c3ccccc3N2)C1	2048633974	MNDMBWJDKQFXBJ-WNZJFKNXSA-N	243.394	4.657	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@H]1CCCC(C)(C)C1	2049492473	JGCRHPKLQMKFAZ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)[C@@]12C=C[C@@H](CC1)C2)C1CCCCC1	2050009901	ZTEBXFPTLFONQI-KEYYUXOJSA-N	246.394	4.518	0	10	BJAE	
N[C@H](CCCCCCC1CC1)c1cccc(F)c1	2050491564	GQPQGRCETJVBLP-MRXNPFEDSA-N	249.373	4.576	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C12CCC(CC1)CC2	2051401772	MRCZZLMJAANARC-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CCC(NC2[C@H]3CCCCC[C@H]23)CC1	2051595682	YBXOWZTWROKZDD-GWUWNPHMSA-N	249.442	4.514	0	10	BJAE	
CC[C@]1(C)CCc2[nH]c3c(C)cc(C)cc3c2C1	2051617429	OVLSFWSGJPSQTH-QGZVFWFLSA-N	241.378	4.690	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCCCC23CC3)CC1	2053330183	ARHJFACQUQPORD-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)C(=O)[C@@H](C)C[C@H](C)C2	2056681214	ZNKAVKOZTMLBOJ-AVGNSLFASA-N	244.378	4.601	0	10	BJAE	
CC=CCCC[C@@H](NCCC)c1cccc(F)c1	2059225758	QNRNWTZTHNXQCE-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCCC1CC(NC2CC3(CCCCCC3)C2)C1	2059394906	CUMXTNKYFVVMJX-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CCCc1ccc(Sc2ccccc2)cc1	2060343465	LBNNCYFGZRKLHJ-UHFFFAOYSA-N	228.360	4.790	0	10	BJAE	
CN[C@@H](CC1CCC1)C1=CC[C@H](C(C)(C)C)CC1	2061093977	BVFVDJVOFYRJKN-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@H](NCCC)C1(C)CCC(C)CC1	2061562009	YOOWDGCDNCSSDV-CGZBRXJRSA-N	249.442	4.692	0	10	BJAE	
CCCN[C@H](CC[C@]12CCC[C@H]1C2)CC1(C)CC1	2061637688	LKVFAAZSCVWHNX-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1CC(=C2CCC2)C1)NC	2061723557	RUEXTJOUYFIXJA-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@H]1CCCCCC12CC2	2062021781	XVOQZVRYZFUFND-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNc1cccc2ccccc12	2062653865	WGXVTVXMYBFBPU-HIFRSBDPSA-N	239.362	4.688	0	10	BJAE	
CN[C@H]1C[C@@H](CCC2=CCCCC2)CC(C)(C)C1	2063640394	SRVDQSVICQCTBN-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cccc(C(C)C)n2)C1	2066346728	KDZCQMYKLDWDCE-UONOGXRCSA-N	246.398	4.586	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC12CCC2)CC1(C)CCCC1	2069214425	LATNZQOMJCGOFO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@]2(N)CCC3(CCCC3)C2)CCC1	2069341172	CHBGFEFZLYPCGP-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCC1)C1(CC(C)C)CC1	2069513217	KIYZJBOOUXDPBN-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC1([C@H](N)CC23CCC(CC2)CC3)CC1	2069523642	NGSFUMYXAQPPFV-HWOWSKLDSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC[C@@H]1CCC[C@H]2C[C@@H]12	2070400779	YEGHXDYNETZQET-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1(C(C)(C)C)CCC1)[C@@H]1C=CCCC1	2071947746	BXGZEXXXMHMLSL-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCC23CCCCC3)CCC1	2071951360	YABMGTQNSQCQAX-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CC23CCCC3)CC1	2072882065	RADOFJCYJBVZTC-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)Cc1ccccc1C(C)C	2072912873	NZIGCTSNEPEEOM-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
c1cc(C2CC2)ccc1NC[C@]12CCCC[C@@H]1C2	2074046081	IPRKGTWPGVEPGP-NVXWUHKLSA-N	241.378	4.556	0	10	BJAE	
CCC1CCC(CN2C3CCCC2CCC3)CC1	2075306952	OLQZKFZTKVXNJO-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccccc1C1CCC1	2077262258	PRZKACWPERNONH-HNNXBMFYSA-N	243.394	4.945	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@@H]2CCC[C@H]2C)o1	2077980192	ZYFAOHZXIPARND-TZMCWYRMSA-N	248.366	4.631	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)[C@H]1C[C@@H]1C1CCCCC1	2079492846	TWBHOVMHKXYLAI-BMFZPTHFSA-N	246.394	4.518	0	10	BJAE	
CC(C)[C@H]1C[C@H]1COc1ccccc1C(C)(C)C	2079816401	XXTBZVPXWFOHDA-UONOGXRCSA-N	246.394	4.655	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H]1C[C@H]1C1CCCC1	2079831040	HTASBPDSHLTBNO-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2079844091	UAKFQYQOMOFREV-KLHDSHLOSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc2[nH]c([C@@]3(C)CC3(F)F)cc2c1	2083328657	WTXQQLYORQLUJX-CQSZACIVSA-N	249.304	4.588	0	10	BJAE	
C1CCCCC[C@@H]2[C@H](CCCC1)[C@H]2CNC1CC1	2083337053	AKGQSEXKNHSTKV-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H]2CCCNC23CCCC3)CC1	2083810575	LUOZTTOQZPBQJY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)C[C@H]1CC12CC2	2086352573	GEQWTCOPGLANIV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC[C@@H]1C[C@H]1C	2211592930	IWNYHKVUDVWQLH-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]([C@H](N)CCCCCCC1CC1)C(C)(C)C	2213575133	BVIZTABIKGIOMT-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@@](N)(CCCCCCC2CC2)C1	2213575817	JOCIGUIFMJCBCB-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
Cc1csc([C@@H](N)CC2CCC=CCC2)c1C	2213638388	YPEPQYUSHCJEQJ-AWEZNQCLSA-N	249.423	4.501	0	10	BJAE	
CCC[C@@](O)(CCCCC1CC1)[C@H]1CC1(C)C	2214568995	KYWDXPNDLZPZKM-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCSc1cccc(NCC[C@@H]2C[C@@H]2CC)c1	2215310308	CRFMDTLSLOOSDY-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC1(C)CC2(CCC2)C1	2215470480	AOLCCWMCVCUSAK-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](NC[C@H]1CC=C(C)CC1)c1cccs1	2215837615	YDQRGDCNFIEEPP-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
Cc1cc(C2=CCCCC2)c(CNC(C)C)s1	2215908102	DITWDVIIJUOEFL-UHFFFAOYSA-N	249.423	4.512	0	10	BJAE	
CCC(CC)(CC)[C@@H](CCCCC(F)F)NC	2216427154	GNVJSIQSOYOPKS-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc2c(c1)SCC2	2216720678	QNZLHSPLBAUGBC-GFCCVEGCSA-N	249.423	4.716	0	10	BJAE	
CC[C@@H](C)NCC(C)(C)CCC1CCCCC1	2217132914	AVMHHVYMCUTCAJ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCC1(CNC2CCC2)CC1	2217141176	XXDCIAGXJHJTMJ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C(CCC[C@@H]1CC[C@]12CCCNC2)CCC1CC1	2218728567	VAVZSKHUUUTAHQ-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H](c1c(C)cccc1C)[C@H](C)C(C)(C)C	2221997308	USANUWDHODHJHX-GOEBONIOSA-N	247.426	4.636	0	10	BJAE	
C[C@@H]1C(=O)CC[C@@H]1C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222970632	DDRWULHRCYQNGI-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@H]1CC=CCC1	2223118033	LTFUABMFNGRTPK-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1C[C@@H]2CC[C@H](C1)N2	2223158655	JONMEHCPNPJJEV-OSYLJGHBSA-N	249.442	4.658	0	10	BJAE	
CC(C)C(C(=O)CCCC[C@@H]1C[C@H]1C)C(C)C	2247176237	NUISGEHCTWRDQA-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2CCC2(C)C)CC1	2247441254	NPQMXPMMADKWEL-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)CCC(C)(C)C	2248818675	DKLHJXGPNKALBN-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](C)(N)C1(C)CCC1	2248866636	QPZAZCMYIZVAID-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1CC12CCCCC2	2250360326	WKHMMVJKYGERRO-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)C1=CCC(C)(C)CC1	2250366292	KTEAPQLRSBIKRC-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@H](CN)C(C)C	2250475095	PDTWEHNLOYNREE-JKSUJKDBSA-N	241.463	4.850	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)CC1(C)CC1	2250479605	WQUGDFUYTVSZPT-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CC(=O)[C@@H](CC1CC(CC(C)(C)C)C1)C(C)C	2251607907	JYSHOQDNIRGVMC-NRXISQOPSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](N[C@@H]1CC(C)(C)CCC1(C)C)C(C)(C)C	2251666824	SEGWECWJMILGJT-CHWSQXEVSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H]1CCC[C@@H]1CC[C@H]1CCCCC12CC2	2253813078	BUSBFZPJBKUHJB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1cocc1C(=O)CC[C@@H]1CCCCC12CC2	2253876160	VHOCIALMGUPWBS-ZDUSSCGKSA-N	246.350	4.521	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2(CNC3CC3)CCC2)C1	2253929826	KXMVFHXGUBCASJ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C1(C)CC2(CCC2)C1	2254545276	SKVJIANEVJXWSG-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CCCCc1cc(CNCCC)cc(C(C)C)c1	2254713740	DQABKOCPJQWHQC-UHFFFAOYSA-N	247.426	4.652	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@H]2CCC23CCC3)cc1	2255011211	VGAIXVBMAKNOTO-OAHLLOKOSA-N	242.362	4.538	0	10	BJAE	
CN(CC1=CCCCC1)[C@@H]1CCCC2(CCC2)C1	2255055322	BJYLYXLKCDDPPX-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CCN[C@H]1CCCCCC[C@H]1CC1=CCCCC1	2255091676	MREHTQPARMAYQK-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)CC[C@H]2CCCC23CC3)CC1	2255289622	XBDUYHBUEZKZIW-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1CCCC12CC2	2255324786	AODMCHBDTRVJGW-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCCc1ccc([C@@H](N)C=C2CCCCC2)cc1	2256294122	MLEUVVJFKBMZTB-KRWDZBQOSA-N	243.394	4.529	0	10	BJAE	
CCCc1ccccc1N[C@H](C)[C@@H]1CC12CCC2	2256452464	SECVYXPBMUUBCF-HIFRSBDPSA-N	243.394	4.630	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNCC1CCC=CCC1	2257360473	HAWYNAMNULDQCB-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1CCC(Nc2cc(C3CC3)ccc2F)CC1	2259126887	OHXVAHQBLUVGKJ-UHFFFAOYSA-N	247.357	4.694	0	10	BJAE	
CCCCc1ccc([C@H](O)[C@H](CC)CCC)cc1	2259445498	VNFRSILUJQCGNY-NVXWUHKLSA-N	248.410	4.889	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@@H]1CCC[C@H](C)C1)C2	2259569758	OCEYVNGUXFRACY-BSTUBKLYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@]23CCCC[C@@H]2CC3)C1	2260522748	YFJHAHOCPDTLFA-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C(=O)C[C@]12CCC[C@@H]1CC2)C1CCCCC1	2260658009	MENKTHYJMOLTBU-YSVLISHTSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC1CC(C)C1)C1=CC[C@H](C)CC1	2261497573	NLTWIPVOWJGBKR-PBMMVSLJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@@H](C)CC1CCC1	2298852298	RQQYJMXQPLEEHT-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@@H](C)CC1CC1	2298878478	LKSYNGLEOAFFDG-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@]1(CNC)CCCC1(C)C	2300686910	WFOHAGJXTQMTCG-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCCC1CC1)CCC(CC)CC	2300698408	ZZOZRQGNTOKHBZ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C)CC(C)(C)CC1CCCCCC1	2301148488	VMGLJXHENPYEKO-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](O)[C@H](CC2CCCCCC2)CC1	2301240059	WIEKTWMPQRXSCP-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC2CCCCCC2)[C@H](C)C1	2301240616	BASVWGMDQXEASC-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1[C@@H](C2(N)CCCCCCCC2)CC1(C)C	2302169072	JJUOMKXMVXUBTD-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](c2nc(CC3CCC3)cs2)C1	2302269822	WVVXLYSEIPGPAF-LBPRGKRZSA-N	249.423	4.779	0	10	BJAE	
C[C@@H]([C@H](N)CCCC1=CCCCC1)C(C)(C)C	2302353410	FRGGVESTTZRYMP-DZGCQCFKSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CC(CCC2(N)CCCCC2)C[C@@H](C)C1	2302558977	AVJYHUOJYOWHKW-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H]1CCC(C)(C)C1	2302676466	VNDGDCZEVCGGRN-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCN(C)CC[C@@H]1CCC(C)(C)C1	2304438874	ZCELAOXZJISXGK-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@@H](C)C(C)C)c1	2307563800	VBOCUTXLCDEKOL-ZDUSSCGKSA-N	232.367	4.593	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1ccc(C)cc1C	2307896998	ZBGUZMTYIFOJEF-ZBFHGGJFSA-N	233.399	4.520	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2C[C@@H]3CCCCCC[C@@H]32)CCC1	2309181940	IYZLPGUITWXWTI-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](N)(C[C@@]23CCC[C@@H]2C3)C1	2310895622	XOMAVIMIVZRVIU-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(C[C@@]23CCCC[C@@H]2C3)C1	2311149524	NMNPAIWXRNNZIM-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@H](N)CC[C@H]1CCCCC12CC2	2312664162	ZKYCBRMXOVNVOY-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
N[C@H]1CCCCCCC[C@H]1C[C@@H]1C[C@@H]2CC[C@H]1C2	2312950919	KBQHQFXJPIVWID-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C(=O)[C@@]23CCCC[C@@H]2CC3)C[C@H](C)C1	2313304855	FPWZMERFQUXJPG-GKLJAUDBSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](c1ccc(C)c(CC)c1)[C@H](C)C(C)C	2314714359	YRZOBKHSHNDZCW-PBHICJAKSA-N	247.426	4.500	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@]1(C)C=CCCC1	2316501653	HUEZKOSGAKABRB-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CCc1cccc(CC=C(C)CCCC(C)C)n1	2316571888	XQXINSOOLWWCKH-UHFFFAOYSA-N	245.410	4.959	0	10	BJAE	
CN[C@H](CC[C@@H](C)[C@@H](C)C(C)C)c1ccccc1	2317836543	VNUYLTBTFQMWEJ-HLLBOEOZSA-N	247.426	4.656	0	10	BJAE	
CC1(C)CC[C@@H](C[C@](C)(N)C2CC3(CCC3)C2)C1	2319034882	QPYFJORIHBHILI-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@H]2CC[C@H]2C2CC2)C1	2319732216	ZJBUSCYTOPLFRQ-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
C[C@@](N)(CC[C@H]1CC[C@H]1C1CC1)C1CCCCC1	2319751110	RIZNYITUKSPMMN-HYVNUMGLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1NC1CCC2(CCC2)CC1	2320134052	JUBXFNFZQVKKJZ-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320154940	MBLUOFDZXPZJKJ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@](N)(CCCC2=CCCCC2)CC1	2320266800	YDVXNRGVVNUHCF-QGZVFWFLSA-N	247.426	4.875	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1CC[C@H]1C	2320409209	RYWHIKGMLKWDHN-MWQQHZPXSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@H](N)C2=CC[C@H](C)CC2)c1	2320523339	LZXYZLOJVBEJAX-SUMWQHHRSA-N	243.394	4.556	0	10	BJAE	
CC(C)c1cccc(C=Cc2ccc(N)cc2)c1	2320662075	VAISIMZDPWWGCU-UHFFFAOYSA-N	237.346	4.563	0	10	BJAE	
CC1(C)CC[C@@H](CCN[C@@]23CCCC[C@@H]2CC3)C1	2321616198	LKKWFKAJJXMZDA-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](N[C@H](C)CC)c1ccc(Cl)cc1	21041929	AJERIJYGHNCBEU-BXUZGUMPSA-N	239.790	4.569	0	10	BJAE	
C[C@@H](Nc1cc(Cl)ccc1F)c1ccccc1	35083571	ZOAUJYGSQXPGPP-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CN[C@@H](CCC(C)C)c1c(C)c(C)cc(C)c1C	35491138	GZSZWOWXXHCFKA-INIZCTEOSA-N	247.426	4.617	0	10	BJAE	
CCc1cc(Cl)c2cc(C(C)(C)C)ccc2n1	36913045	HYNYRWABRFULHF-UHFFFAOYSA-N	247.769	4.748	0	10	BJAE	
CCC(CC)Nc1cc(C(C)(C)C)ccc1OC	36953831	KLKZXGQBZNUJRJ-UHFFFAOYSA-N	249.398	4.593	0	10	BJAE	
CCC(CC)[C@@H](N[C@H](C)CC)c1ccccc1	37107760	GQSNQUFTGYNSGH-CZUORRHYSA-N	233.399	4.552	0	10	BJAE	
Clc1ccc(-c2cccs2)cc1Cl	38844176	BXUHUQFOWZHAMQ-UHFFFAOYSA-N	229.131	4.722	0	10	BJAE	
Cc1cccc(Nc2ccnc3ccc(C)cc23)c1	41054765	RJJSCFGOMAWYKE-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
c1ccc(NCCCSC2CCCCC2)cc1	53623566	CEKHVMNHQSEFLL-UHFFFAOYSA-N	249.423	4.555	0	10	BJAE	
C[C@@H]1CC(NC(C)(C)CC(C)(C)C)C[C@@H](C)C1	84466034	AYTFZRDKXASKPY-STQMWFEESA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cc(C)ccc2F)CC1	86896610	KAOWTYYLLNYLES-KGLIPLIRSA-N	249.373	4.905	0	10	BJAE	
CCCN[C@H](CCC)C1CCC(C(C)C)CC1	87966814	AOXPFIXUPONCIG-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@]1(C)CCNC[C@H]1CC(C)C	92692029	PCCXWHJYHFIDHA-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](CNC(C)(C)C)c1ccccc1C	93189156	KABRHGQTXKOSPI-BBRMVZONSA-N	247.426	4.513	0	10	BJAE	
CC[C@H]1CCC[C@H](/C=C/CCNC(C)(C)C)C1	93674173	UJJCEVWXKVSYRE-AOEIMKSNSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(OC)c(C)c1	103988932	RVQIPFKFOIOAQX-JSGCOSHPSA-N	249.398	4.630	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cc(N)ccc2C)cc1	109436769	KYLARAPWFTXTRO-GFCCVEGCSA-N	239.362	4.758	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C(C)C)[C@@H](C)NCC	109669263	SPPXZFKXYNIKJN-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1cc(F)ccc1C	111746101	NHJHGJYOOGDLSF-JSGCOSHPSA-N	248.341	4.533	0	10	BJAE	
CC(C)CCC[C@@H](O)CCC1CCCCC1	124268584	KVDWTPLNASXKIG-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1ccc(C)cc1C	124532483	NGCORYLUOFEUIG-RDJZCZTQSA-N	247.426	4.910	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCCC[C@@H]1CN	131908099	DQEVDNSJSFEZGB-ARFHVFGLSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@H](C1CCCC1)C1(CC)CCCC1	167543087	FQDAVQZDNLEQFT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](O)C=C1CCCCCCCCCCC1	168409131	CZHLXOSBZNEKDY-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC[C@H]2C(C)C)c1	214442793	OYMAPUQVAMNBOB-JKSUJKDBSA-N	231.383	4.622	0	10	BJAE	
CC(C)(F)C1(c2ccccc2Cl)CCC1	220500761	CJPRTRNPWIVDTO-UHFFFAOYSA-N	226.722	4.510	0	10	BJAE	
C[C@H]1CC[C@H](CC[C@@H](N)c2ccccc2)C[C@@H]1C	221310591	RDMDPRVUEXAJEB-LJIGWXMPSA-N	245.410	4.539	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)[C@@H]1CCCC[C@@H]1CC	225133034	HGSLHEMZFFPFDD-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(CO)C=CCC1	225338469	YFURLVUMDBVWHF-HOTGVXAUSA-N	238.415	4.558	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)c1ccc(C)cc1C	229330035	YNMRQUFMFQQURQ-XIRDDKMYSA-N	245.410	4.520	0	10	BJAE	
C[C@@H](Nc1cc(F)cc(Cl)c1)c1ccccc1	229993739	OPIWRQKSSQAJSR-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1ccc(C)cc1Cl	233334049	ONZRZSGUTKZWNI-IINYFYTJSA-N	240.774	4.508	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(C(C)(C)C)cc1	233348575	MDFSXZMMNZVFQI-AWEZNQCLSA-N	233.399	4.975	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCCC)C(CC)CC	300905949	JLEAZSBMLQXRND-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](CN)[C@@H](CCCC(C)(C)C)C1	302247400	AXXMYIUTUGGVKY-QLFBSQMISA-N	239.447	4.604	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@H](C)CC(C)C	302373646	OWFACMHCKNLNAY-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](CCC)C1CC1	304371070	UTHTVOBQELPUOC-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@@H]1CC1(C)C	305907925	GNIZWWGYHPPRMJ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cccc(C)c2F)CC1	306016665	SSAUJTJWLLAXJC-ZIAGYGMSSA-N	249.373	4.905	0	10	BJAE	
Cc1c(Cl)c(Cl)cc2ccsc12	306599603	RXGSBHBLIFMANK-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CSc1cc2c(C)cc(Cl)cc2s1	307157432	YBXFXNDZYJELBE-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1csc2c(Cl)ccc(SC)c12	307291054	JDCDPISIUVYYHK-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1c(Cl)cc(Cl)c2ccsc12	307356157	XSHIPGADAPIATH-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)c1ccc(C)s1	307983933	AIPMMENNORSTJH-JSGCOSHPSA-N	240.412	4.552	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CCCC(C)(C)C	308049176	JPZZJYQDZOUNSF-GJZGRUSLSA-N	241.463	4.993	0	10	BJAE	
CCc1ccc(C(=O)[C@H](CC)CC(C)C)cc1	308101288	FPHJTUDCDWYUFC-CQSZACIVSA-N	232.367	4.504	0	10	BJAE	
Clc1ccccc1-c1cccc2ccoc12	309224970	BWUHGHLUJNQQKU-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1(C)CCCC1	309381039	QVSHHABHPVPHOV-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](C[C@@H](C)C1CCCCC1)NCC	310353293	RFPDUABOMYIGCU-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC)c1ccc(C2=CCCCC2)cc1	310613769	DAZBVSFYSWOIBY-KRWDZBQOSA-N	243.394	4.705	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@@H]1CCC[C@@H](C)C1	313459687	FWOTWECOFVTTNT-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(O)CCC2(CCCC2)CC1	319073115	YUNLGPLKIIKLLF-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
O=C(CC/C=C/c1ccccc1)CC1CCCC1	323824437	RNIPTXYUYWPWJC-UXBLZVDNSA-N	242.362	4.629	0	10	BJAE	
CC(C)[C@@H](NCC1=CCCCC1)c1cccs1	379572342	SRQQPIPZSJTDLK-OAHLLOKOSA-N	249.423	4.535	0	10	BJAE	
Cc1cccc(S[C@H]2C=CCCCCC2)c1N	379833984	CTKWYIUFXVTNOX-ZDUSSCGKSA-N	247.407	4.558	0	10	BJAE	
CCN[C@H](c1ccccc1C)C(C)(C)C(C)(C)C	380885085	FVAOJAGDUODEED-OAHLLOKOSA-N	247.426	4.718	0	10	BJAE	
CC(C)CC(O)(CC(C)C)CC1(C)CCCC1	383755732	KNJUZYIXJXDMTL-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C[C@@H](C)c1ccccc1	384736292	KQEOWLVUHHZPRS-BZUAXINKSA-N	247.426	4.595	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@@H]1C[C@H]1CC	387686568	UEEVYFNERSFAJW-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CC[C@H](NC)c1ccc(C2=CCCCCC2)cc1	393971670	IGXLKPJBVAKUJB-KRWDZBQOSA-N	243.394	4.705	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H]2CC23CCCCC3)C1	394518994	GAHZSDOBSRLDEY-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC(C)(C)C(C)(C)C)C1	394571088	OXQHPBHNRIJSMH-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1([C@H](O)C2=CCCCCC2)CCCCCC1	394598926	LUYPHVGWBBAYNQ-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(NCCCC2CCCCC2)cc1F	395144096	DTQJFSIZXQVWEZ-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CNC[C@H]1CCCCC[C@H]1CCC1=CCCCC1	395318255	KEUPBIMAZXIOIK-DLBZAZTESA-N	249.442	4.683	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)C1CCCC1	395653675	MTOUBOMMVHHTOC-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCOc1csc2c(C(F)F)cc(C)cc12	396240957	LEPXRECIGKAZAY-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1sc2ccc(F)cc2c1C(F)F	396257229	WBVMMZUXIWQQMK-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1cc2ccsc2c(C(F)F)c1C	396399022	AWBLAZDGHKZQEM-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@H](Nc1ccc2sccc2c1)[C@H]1CC1(C)C	397568225	BQSUUOHJXRXNQX-GXFFZTMASA-N	245.391	4.748	0	10	BJAE	
Cc1cccc2cc(C(=O)[C@@H](C)C(C)(C)C)oc12	399210276	PLHSRLLYCUZMCE-LLVKDONJSA-N	244.334	4.606	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](O)CCCC1CCC1	688415731	MCSAIYOWIQXBOQ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@@H]2CCCC2(C)C)c1	688971704	SFCALUGHBLBHEH-JKSUJKDBSA-N	246.394	4.670	0	10	BJAE	
CC1CCC([C@@](C)(O)CC2CCCCC2)CC1	689725382	MTBFHQGXQGCIMN-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H](C)CC1CCCC1	689802748	SGJSSKPOLWKFEY-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CC[C@H](Nc1cccc(C2CC2)c1)[C@@H]1CC1(C)C	690112183	UMOSMLIUXRLFAL-HOTGVXAUSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)C1CCCCCC1	691190835	XAMLFFOSKFZTDQ-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)C1CCC2(CC1)CC2	695644171	SINDSPWSIWSZOO-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1(C)CCCCC1	696636285	VAVIEYURXIODNA-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@]1(C(C)C)CCCCCN1	696803935	VCHTUFPGEVHNGV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@H](CNC)C1CCCCCC1	696854828	UYOFJDZZVSCHHS-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)C2(C(C)C)CC2)cc1	697598317	XKYDBSILFYOAQR-CZUORRHYSA-N	245.410	4.636	0	10	BJAE	
CCCC(CCC)[C@@H](CCCC(F)F)NCC	701752769	XCYJEAFZAYXLEO-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCC[C@]1([C@H]2CCCC[C@@H]2C)CCCCCN1	704799885	ULYUDFSMAMPGNE-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@](N)(CC)[C@H]1CC1(C)C	704824796	ZESNQIRCLRICDY-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@H]1CCC[C@@H](C)C1	704907367	HQXQAXYNOPWQGS-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC(C[C@@](N)(C2CCC2)C2CC2)CC1	705390720	QLUQMIRIUVILAF-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@@H]1CCCC12CC2	706251620	YFFSLARYNDXHNY-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1NCC[C@@H]1CC=CCC1	706867297	GWDBKWPXPWXNMI-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC(C)(C)C(C)C)C1CCCC1	713138351	CDOCCHFMAIYDIQ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(CC(C)(C)C(C)C)c1ccccc1	713161749	XIAFZLMSIWIEQH-QGZVFWFLSA-N	247.426	4.713	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CC(C)(C)CC)CC1	713167760	HXFYHAYQHSKTNS-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
C/C=C/C[C@H](CC)c1ccc(OC)c(Cl)c1	714554222	YNNUPXCLAKPREO-MALLOTDXSA-N	238.758	4.808	0	10	BJAE	
CC/C=C/C[C@H](C)c1cc(C)c(C)cc1F	714558032	XMVFHSOSLZGGCO-MLRMMBSGSA-N	220.331	4.902	0	10	BJAE	
C/C=C/C[C@@H](C)c1ccccc1Br	714565929	ZHZRNMYBZLYEQM-HMDXOVGESA-N	239.156	4.519	0	10	BJAE	
CC(C)C(C)(C)CSc1nc(Cl)cs1	718856562	DRAHMKBKKJCAFU-UHFFFAOYSA-N	249.832	4.571	0	10	BJAE	
CC1(C)CC(C[C@](C)(O)CC2CCCCC2)C1	723590999	ZLWQKYBUWHSCFO-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](NC[C@@H]2CCC=CCCC2)[C@H](C)C1	1308975316	TTYZLOHFCJJGRF-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(SC(C)(C)C)ccc1NC(C)C	1560384074	BTFUMMIKTWMNFD-UHFFFAOYSA-N	237.412	4.706	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@H]1CCC12CCC2	1875438182	VJTDHFCLTRXCDY-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H](C)[C@H](C)C(C)C	1901626140	OCQFEIYWMJJSRB-VXGBXAGGSA-N	239.790	4.741	0	10	BJAE	
CSc1ccccc1N[C@@H](C)[C@@H](C)C(C)C	1901709618	OVMAGAHGLVMMPP-RYUDHWBXSA-N	237.412	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@H](CC)CCC	1905434653	LMAMFLLUSGLDBS-ILXRZTDVSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1sc(C)cc1C	1905446601	UUVADZYOAAEGBT-QWHCGFSZSA-N	239.428	4.581	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H](CC)CCC	1905451356	UETLGDNSIUTPQR-ZIAGYGMSSA-N	226.404	4.988	0	10	BJAE	
CCC[C@H](C)CC1(CO)CC2(CCCCC2)C1	1912561705	JNKKXVIMWQPADI-AWEZNQCLSA-N	238.415	4.536	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCC2(CCCC2)C1	1916441125	FUCYECMLBJKBRX-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](C)C[C@@](C)(N)c1ccc(C(C)(C)C)cc1	1920461211	MDGQFFLICZIZJQ-CXAGYDPISA-N	247.426	4.594	0	10	BJAE	
Cc1cc(C)cc(NC2C[C@H]3CCC[C@H](C2)C3)c1	1923465235	HKEJYGCAQLIBBI-GJZGRUSLSA-N	243.394	4.684	0	10	BJAE	
COc1cc(C)c(C[C@H]2C=CCCCC2)cc1C	1925842789	DUELQDSPUHNCQY-HNNXBMFYSA-N	244.378	4.601	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@H]1C=CCCCC1	1925923756	GHSIWSBRBXKUOH-OWCLPIDISA-N	238.415	4.700	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)CC1=CCCCC1	1937161372	HHBKWHDGOZGBFB-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CC[C@](O)(CCCCCC(C)C)CC1CC1	1939408625	WMJSCHLGZKLLPG-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(OCC2(C)CCCCC2)c(C)c1	1940382669	IKWXGAXWBUZSLJ-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)CC1CCCCC1	1940877221	PBIOMJRCSAFHQH-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](C)c2cccc(N)c2)C1	1940976669	OJVBZGRXHCBVGW-MGPQQGTHSA-N	231.383	4.589	0	10	BJAE	
CCC[C@H](N)CCC1CCC(C(C)(C)C)CC1	1941144356	METCBYKCKLTUBH-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CCCc1oc2c(C)ccc(C(C)C)c2c1O	1941147862	UEOIETSGQRSOBI-UHFFFAOYSA-N	232.323	4.523	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C[C@H](C)CC(C)(C)C	1941245158	FHPATACEOFNVJN-RRFJBIMHSA-N	242.447	4.882	0	10	BJAE	
CCC[C@@H](C(=O)CCC[C@H]1CC1(C)C)C(C)C	1941261358	QXYDAIOUHYSVOO-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C(=O)[C@H]1CCCC[C@@H]1CC)C(C)C	1941264465	LXGUBFLLVMRNRT-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@H](CC(C)C)C(C)C	1941266686	IRZVOLYXLBIJHB-XHSDSOJGSA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(C(C)C)CCCCCN1	1942659737	JKHIHQRJKMGHFI-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](N)[C@@]12CCCC[C@@H]1CCC2	1944156805	UCDGBLNWHQAFCO-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944201950	GLWFBALOIWHEOW-BARDWOONSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)CCNc1cccc(C2(C)CC2)c1	1944600640	TYTDGIZRPKBWAQ-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1cccc2sccc12	1945956290	FPDTWPGDEUTWRK-XHDPSFHLSA-N	247.407	4.583	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CCCCC12CCC2	1947900125	LKLBFSLHYUNDTA-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC([C@](C)(N)[C@@H](C)CC(C)C)CC1	1948328519	UZWZCOWXZVDYEA-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC([C@H](N)C(CC)(CC)CC)CC1	1948933180	INDCUNHNSTYSCD-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](O)CCC2CCC2)CC1	1950913187	FIBKKSBPWCUMLB-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC1CCC1)NC[C@H]1CCCCC12CCC2	1967865106	NVKMZTXSMUGTIG-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
Clc1ccc(N[C@@H]2CCCC3(CCC3)C2)cc1	1968266301	XRCZLGJHGHFLAO-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
Cc1ccccc1N(C)C[C@H]1CCCC(C)(C)C1	1968567184	UPTDZFPAHQTQHQ-HNNXBMFYSA-N	245.410	4.648	0	10	BJAE	
CC1(C)CC[C@@H](CNc2ccccc2C2CC2)C1	1969417098	SXXWTAQXLSBBOY-CYBMUJFWSA-N	243.394	4.802	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC=C(C)C)NCCC	1981002968	WAOXIPWYPJEASA-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCC[C@@H]1C(C)C	1983272148	DBXVRRCXZJWONA-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CC=CCCCC(=O)c1cc(C)ccc1Cl	1984592544	DNCBUQDHDSUJKL-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCCCC[C@](C)(N)CC1(CCC)CCC1	1988434731	NBKJGELZVBFOMT-AWEZNQCLSA-N	225.420	4.645	0	10	BJAE	
CCCCCc1ccc([C@@H](O)C(C)(C)C)s1	1991770374	ABVRYTNJMQRGSZ-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC1CC(C(C)(C)C)C1	1998236565	LOEKXCTWRWLHGJ-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H](C)C1CC(C)(C)C1	1998649665	JLNCQADNKCYWCB-ZIAGYGMSSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CCC2CCCC2)C1	2000105571	LHLNAUYYTGCICI-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C1(CCC)CCC1	2000389003	ZEJMCNORUBZTBZ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@H](C)C1CCC1	2000498752	CNKHWLNVPSPMBQ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CCC1CCCC1)CNCC	2000505996	XBHMBVAFCROLHX-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@](CC)(CNCC)CC1CC=CC1	2000512988	SNXJFYNAZDOLNX-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@](C)(O)C[C@]1(C)CCCC1(F)F	2002577024	QLHOKPFQBCHCAK-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
C[C@H]1CC[C@@H](CNC2CCCCCCCC2)C1	2003098090	DDVVHLKVJGQTTO-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@@H]1CCC2(CC2)C1	2003198176	QATXQPSXEGAMPE-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H]1CCC[C@H](CC)C1	2004233618	LBUSEDHFFNZEHT-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC1CC(C2(O)CCC(CC)(CC)CC2)C1	2004338782	HWPQOSLVBZTWBY-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC1CC(C[C@@](C)(O)C2(C)CCCCC2)C1	2007751907	NPKGSGWYQMOMOG-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(N[C@H]2CC[C@@H](CC)C2)C1	2009790983	FVUFDYPAWSNOPF-CIDNJEQPSA-N	237.431	4.514	0	10	BJAE	
CC[C@](CNC(C)C)(CC1CCCC1)C(C)C	2012406766	AEOMXOIYWRMFNJ-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](CC)(CC1CCCC1)C(C)C	2012423705	BEGZMKJIWMJGJE-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
Clc1ccc(NCC23CCC(CC2)CC3)cc1	2012809422	DMABSAKUQSOHTF-UHFFFAOYSA-N	249.785	4.722	0	10	BJAE	
CC[C@@H](CCC(C)C)NC1CC(C(C)(C)C)C1	2013266520	HQLMYKCORSXFRN-SLTAFYQDSA-N	239.447	4.616	0	10	BJAE	
CC(C)C(CC[C@H](O)C(C)(C)C(C)C)C(C)C	2015335372	SIHUYLGDFZARQE-HNNXBMFYSA-N	242.447	4.738	0	10	BJAE	
CCC[C@@H](C)[C@@H](CCC(C(C)C)C(C)C)NC	2015342875	ABPORGAGHKQELE-GDBMZVCRSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@@](N)(CC)[C@@H]2CC2(C)C)CCC1	2015644106	JKYZPEISRFLJNG-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1(C(C)(C)C)CCC1	2017133635	VDUOWXUSPHYEIE-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CCC1(C(C)C)CCC1)C(C)C	2017146320	RLGCBVJNSVEWED-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O	2017431878	VUKVABWVCCZAGO-RBSFLKMASA-N	238.415	4.556	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)C[C@@H](C)C(C)C)CC1	2017662016	HEDZQYBSOQWXKC-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CC(=O)C[C@@H](C)C2)CC1	2017775540	CXFIJHMLWDIJDO-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(CC(=O)[C@H](C)C(C)(C)C)CC1	2017778061	XAIFWKKKXONRTO-HSBZDZAISA-N	238.415	4.844	0	10	BJAE	
Cc1cc(C(=O)C23CCCC2CCC3)sc1C	2017971950	CDUMCOXAMUWBEW-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@H](C)CC[C@H]1C	2018074534	JRVVTPXEPPDVOF-LVQVYYBASA-N	239.447	4.760	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@]12CCCC[C@H]1C2	2018576956	DSZZOSVGDHNHAC-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@]12CCCC[C@H]1C2	2018618733	HNDYOLKSAPBUNB-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCCCN1[C@@H]1C=CCCCCC1	2019125078	XARUQYQQQCDTFT-JKSUJKDBSA-N	235.415	4.530	0	10	BJAE	
CC(C)C[C@H](C)N(C)[C@@H](C)C1CCC(C)CC1	2019297444	LFPJPYPZQQHJHI-PYBGIAKNSA-N	239.447	4.568	0	10	BJAE	
CCC(CC)N(C)[C@@H](C)C1CCC(C)(C)CC1	2019306101	RQDSKLKVLINYPG-ZDUSSCGKSA-N	239.447	4.712	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)C1CCCCCCC1	2022560037	LHDYENLIHULRQH-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)C[C@H](CCCCC(C)(F)F)NC	2023288552	UXHJQUFAEZVSKX-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CC(=O)[C@@H](C[C@H]2CCCC(C)(C)C2)C1	2024101908	NYVJPMQBJXZVBT-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CCC[C@@H](O)C(C)(C)C)C1	2024120581	XJOGLWYQXSKVRJ-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCC1([C@H](O)C[C@H]2CCCC(C)(C)C2)CC1	2024126948	ZKGBTUYXBFRLRR-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)N[C@H]1CCC12CCCCC2	2026839366	JUQCJOWZEBWYQL-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)c1ccoc1C	2027301960	OUTMZAWNZXANCI-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC(C)c1ccccc1CC(=O)CCC1(C)CC1	2027725576	JFACZWATQFZUDK-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)CCC2(C)CC2)cc1	2027732092	KMSQEJBCTMVNNF-XJKSGUPXSA-N	245.410	4.780	0	10	BJAE	
CCNC[C@]1(CC2(C)CCCC2)CC=CC[C@H]1C	2027925233	DDLYAAMZGJDFAT-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC1(C[C@](C)(F)c2ccc(N)cc2)CCCCC1	2027939870	LHLFYASEZVJDCF-INIZCTEOSA-N	249.373	4.814	0	10	BJAE	
CCc1cc(NCC2CCC=CCC2)ccc1F	2028900693	RBMNWAARXJZQBU-UHFFFAOYSA-N	247.357	4.546	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccccc1C1CCC1	2029074511	KXKWWJZKWQESHG-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NC[C@@]12CCCC[C@H]1CCC2	2031808213	JYLQXIYVEJEAED-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C[C@@H]1CC1(C)C	2032422712	BDAXATWHGWHVAV-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@H]1[C@H]2CCCC[C@H]21	2032774569	CTHHKUVTXBAAQZ-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCC12CCCCC2	2035421405	GRRBZTMMZLPIHM-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@H](N)C[C@@H]2C=CCCC2)C1(C)C	2035592556	NWBBIDUXHPAAEH-KCYZZUKISA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CC2CCC=CCC2)C1	2037203317	FIQLDJMSZQLQHM-UAGQMJEPSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC[C@@H](C)c1ccccc1)C(C)(C)C	2038076713	ZIHMZMBBBDCTPL-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
c1cc(C2CC2)ccc1NC1C[C@@H]2CCC[C@H]2C1	2038611630	TWRYSMRXLKHTGS-GJZGRUSLSA-N	241.378	4.555	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CC23CCCCC3)CC1	2039011904	LRGFRCZPTGQVCQ-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC[C@H]1CC12CCCCC2	2039058876	PXVLMMHVTIYMRY-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](Nc2ccc3ccccc3c2)CCCC1	2039185301	GWBZKCZEQXXNDE-MRXNPFEDSA-N	237.346	4.751	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)C1CC2(C1)CC1(CCC1)C2	2039421910	PBXCRPZHKOXFKW-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(CC(C(=O)CCCC3CCC3)C2)C1	2039423370	ADWGESNXRDRQTP-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC2(CC([C@@H](N)CCC3CCCC3)C2)C1	2039462624	VKGUTROXNFDXDT-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)CC(C)(C)c1ccccc1	2040725497	HQNWHAWJZXRBRP-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1CC1(C)C)C1CC=CC1	2042024896	QEWBVVBTYBOKAL-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1NCC1(C)CC=CC1	2042079252	WKOSEDKPKDUJPK-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H](N[C@H]2CCC3(CCC3)C2)CC(C)(C)C1	2043607936	XNTGPTSQQKAUIJ-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CCCC3(CCC3)C2)C1	2045392466	VCQRGJWYFZIRQG-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
C[C@](N)(C[C@H]1CC12CCCCC2)C1CCCCC1	2047055829	NVCUTEJMJAXZFH-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)c1ccc(O[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	2047350875	VLZUTSRPYXQXHC-XJKCOSOUSA-N	244.378	4.552	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048465365	IOAJQLROJVHXMY-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
NC1(C[C@H]2CCCC3(CC3)C2)CCCCCCC1	2049847480	BIPSYUFFEPSYER-HNNXBMFYSA-N	249.442	4.789	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@@H]2CCC3(CC3)C2)C1	2049935196	GJHGRJDYVXIPHN-HSBZDZAISA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC1(C)CCCCC1)c1ccco1	2050526307	WUHODHGSKPQWFY-CQSZACIVSA-N	249.398	4.681	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C1(C2CCC2)CC1	2051919121	WDJFUQCWJOJFAY-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H]2CC[C@@H]21)C1CCCCC1	2052288615	OKJSHLQUNBKADG-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CC1(C(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)CCCCCCC1	2052502399	IYEFGWVXAJMHKD-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
CC1(CN[C@@H]2C[C@@H]3CCC[C@H]32)CCCCCCC1	2052506760	ZUKTZCARFNCIFB-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](C1=CCCCCC1)[C@@H]1CCCCC12CCC2	2053364894	FFVIDOFBQKRSTK-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)CC(=O)Cc1ccccc1C(C)(C)C	2053957623	BFWCXQCIZHPNHX-ZDUSSCGKSA-N	246.394	4.532	0	10	BJAE	
FCc1ccc(NC2CC3(CCCCC3)C2)cc1	2055668956	XZOHJOLOURLODS-UHFFFAOYSA-N	247.357	4.681	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC2CC(C3CC3)C2)CC1	2056648882	SGBTZZGZFSSZBV-PGEKIEPBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N)(C=C1CCCC1)C2	2056916312	IIBWWZSDJRYVNZ-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C)c2cccc(C)c2)C1	2058832618	BSUNCDBNEHUMIB-AWEZNQCLSA-N	245.410	4.614	0	10	BJAE	
C/C=C/CCCN(C)[C@H]1CCC2(CCCCC2)C1	2059205146	DSBYLQSRIZTTMD-CWDCEQMOSA-N	249.442	4.778	0	10	BJAE	
CCc1ccc(SC)c(Cl)c1C(F)F	2060053835	JJKOTWCBFPJHEY-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CC[C@H]1CC=C([C@](N)(CCC(C)C)C2CC2)CC1	2061113588	PSLWGJFKBAVVMU-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](CC2CC(C)(C)C2)NC)CC1	2061138816	AJGCVPGQJXBMQP-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C1=CC[C@@H](CC)CC1	2061139869	IXXKYUZNPMQJIS-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C(C[C@H](CC2CCCC2)NC)CC1	2061142316	BTOVJOZTGRWCOO-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)C2CC(C(C)(C)C)C2)CC1	2061144762	TYJMYXMNVLGJSD-KKOFPSKJSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@@H](NCC)C(C)(C)C1CCCCC1	2061569844	ASKCPOYADLWYRT-MRXNPFEDSA-N	249.442	4.692	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CCC[C@@H]1C[C@H]1C	2062605923	AQTANCQDRRSCIH-KLZNWCGWSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC1(N)CCC(C2CCC2)CC1	2062647229	RDBVIFDWKGENPO-AKBUMOGYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC23CCCC2CCC3)CC1	2063902307	BCQOJTIGIXOBFQ-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](N)CC23CCC(CC2)CC3)CCCCC1	2065276810	HWIYOOFTRVPSGY-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(F)cc(NCC23CCC(CC2)CC3)c1	2065300701	PGFZTTQZIFCTKK-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CCNC[C@H]1CC12CCC1(CCCCCC1)CC2	2065898153	RCIBEIJMKGBUEU-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
Cc1cc(C)c(NC2CC(C(C)(C)C)C2)c(C)c1	2067988828	PDWCELNIFMODFQ-UHFFFAOYSA-N	245.410	4.848	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)C[C@H]1CC12CCCCC2	2068268133	COULSKOTKPCQNU-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)c2cc(C)ccc2C)CCC1	2069268027	KGGMULJFDYFMLP-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
CCCC1(CC(=O)c2cccc(F)c2C)CCC1	2069272707	GSHIUCBGEKAUNI-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCCC1(C[C@@H](N)C2CC3(CCCC3)C2)CCC1	2069336860	FFNIYNZRWNFRCD-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CCCC1(CNCC2(CC3CC3)CCC2)CCC1	2069509749	TUVADAGPQZJBDL-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@H](N[C@@H](C)CCC=C(C)C)c1ccccc1	2070413069	IHSLFRBNFRNBRU-RDJZCZTQSA-N	245.410	4.862	0	10	BJAE	
CN[C@H](C[C@@]12CCC[C@@H]1C2)C1(C)CCCCCC1	2070961490	CQZYZBSZZZDSNK-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1cccc(C2CCC2)c1	2071488189	IZXPEPJLOXGHHB-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
CC(C)=C(C)CN1CCC[C@@H](C2CCCCC2)C1	2072410802	FXTHHNHCTIURMH-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]2C[C@@H]21)C(C)=C(C)C	2072418756	VMBKTEPYVOOCOZ-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@]2(C)CC=CCC2)CC1	2072873096	KNRPQQXDQWQIOL-BFYDXBDKSA-N	248.410	4.908	0	10	BJAE	
CCCC1(CC(=O)[C@]23CCCC[C@@H]2CCC3)CC1	2074591827	VYPOQKRSLRSVMY-PBHICJAKSA-N	248.410	4.886	0	10	BJAE	
CCCC1(C[C@@H](N)C2CC3(CCCCC3)C2)CC1	2074643441	FKDJROQBVPCNGS-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCCC12CCCCC2	2074899987	OAAOZKPUNCTRRK-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCC=CCCC2)[C@H]1N	2076392137	FILBLRADTVLSSJ-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
c1ccc(C2CC2)c(NCCCCCC2CC2)c1	2077261709	CNIXBLGUWIYNJN-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccccc2C2CCC2)C1	2077263731	CHGBNIGPWCVPJS-UKRRQHHQSA-N	243.394	4.945	0	10	BJAE	
CCN(CC1CCC=CCC1)[C@@H]1CCCC1(C)C	2078716666	KRFVWKBTKBCYSZ-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
Cc1ccccc1OC[C@@H]1C[C@H]1C1CCCCC1	2079801832	IJEMFVAOPFSJOR-HOTGVXAUSA-N	244.378	4.590	0	10	BJAE	
CC(C)(C)C1CCC(CN)(CC=C2CCC2)CC1	2081676687	ZOXBTCMFWYEUGF-UHFFFAOYSA-N	249.442	4.668	0	10	BJAE	
CCCN[C@H](C)c1cccc([C@@H]2C[C@H]2C(C)C)c1	2082715851	UPWDSCFDYFGLHY-COXVUDFISA-N	245.410	4.507	0	10	BJAE	
CCC1C[C@@H]2CC[C@H](C1)N2CCCCCC1CC1	2084426958	LOVPNFDBYPUMHP-ZXFUBFMLSA-N	249.442	4.610	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N[C@@H]2CCCC3(CCC3)C2)C1	2085245276	SGMIRCMAQYYUOS-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CC2)CC1(CC)CCC1	2086346161	JPLKSLOBRJTALP-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(F)CC(=O)CCCCCCCC1CC1	2216860492	AZQUXSIVBKFSFU-UHFFFAOYSA-N	242.378	4.834	0	10	BJAE	
CCC1(NCCCCCCCC2CC2)CCC1	2216872926	NUDMFALQIBHLKZ-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
C[C@@H]1CC[C@@H](C)N1CCCCCCCC1CC1	2216877112	IHLGMFFYGBIPFM-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CC(C)[C@@H](CN)CCCCCCCCC1CC1	2216903438	YXAICVNSSDESHU-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)CC1CCCC1	2217142241	VLAHEQHMHORLAX-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218385691	OFJNQXOMTZCKCE-OTJKEOIZSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H](C1CCC1)C1CC1	2218718748	QUVLKRGFVKDCEH-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
NC1(CCCCCCC2CC2)C[C@H]2CCC[C@@H]2C1	2218728588	VDMJYATUXDHMIK-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@H]1CCCCC1CC1	2220043068	AZTGOZUQBDHXSB-BBRMVZONSA-N	243.394	4.630	0	10	BJAE	
CC(C)c1cc(N[C@@H](C)C2CCCCC2)ccn1	2220886977	YWSSSUNDZGWVPY-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2CCC3(CC3)C2)CC1	2221640102	IWUGUYGHFHSUNZ-ZBFHGGJFSA-N	246.394	4.662	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CC[C@H]2CC(C)C)CC1	2221646255	RQWIYRHYWGVIHU-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CNC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222949151	MZDSZCWBCBNRKF-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C[C@H](CC1(CNC2CCC2)CC=CC1)C(C)(C)C	2223595947	CNYDJIBOPDAYMW-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](c1cccc2ccoc12)C(C)(C)CC	2224179552	BOPZOJYWUZLMFE-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CCCC[C@@H]1C[C@@H]1C	2247151245	TYANBWLDEQXFGW-ARFHVFGLSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2CCC2(C)C)CC1	2247446718	JUZATVBSUDCQHL-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC[C@H]1CCCC12CC2	2247612408	UTPOPVVLKQEYNQ-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CNCC1(C(C)(C)C)CCC1	2250379370	SRLRGLFRALHNMF-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)CN[C@@H]1CCCCCC12CC2	2250384635	NPNZDXNUACLFDH-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C1=C[C@@H](Cc2cccc(CC3CC3)c2)CCC1	2251352545	FXGWUUSPHRAHQE-CQSZACIVSA-N	226.363	4.538	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C1CC(CC(C)(C)C)C1	2251537150	VWNCCDUYFPIYSB-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCCN[C@@H]1CC(C)(C)CCC1(C)C	2251675862	VCGZUZTVLFXXTN-PSKZRQQASA-N	237.431	4.537	0	10	BJAE	
C[C@H](CCC1CC1)NCC[C@H]1CCCCC12CC2	2253892700	YDVXIDRNOGCHOQ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NCC2CC3(CCCC3)C2)c1C	2254083759	HWIBFPZKODZOFZ-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNc1cccc(C2CC2)c1	2254503947	GZBHNZRXAQTUJF-HIFRSBDPSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(CNC2CC2)CCCC1	2254586948	YTXGPPYQOMCWHN-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@H]1CCCCC12CC2	2255049134	GZQWINBPZRNGIX-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
CC(C)NC[C@]1(CC2=CCCCC2)CCC1(C)C	2255135033	ANSSVFRHQYCAII-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cccc(C(C)(C)C)c1	2257908067	NNHRQLFWDSFCDC-CJNGLKHVSA-N	245.410	4.975	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@]12CCCC[C@@H]1CC2	2260488365	IIZHWGBWDYRMRO-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(NC[C@]23CCCC[C@H]2CC3)cc1F	2260631701	ZJALKIPJJUTXLK-XJKSGUPXSA-N	247.357	4.516	0	10	BJAE	
C(CCCN[C@]12CCC[C@H]1CC2)CCCC1CC1	2260638312	MPTLDOMQAYZSGC-IRXDYDNUSA-N	249.442	4.659	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCCC[C@H]1C[C@@H]1C	2300507999	NZJOEDKPIPIQHT-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C)[C@H]1CC=C(C)CC	2300925571	DMAAZNNQPNDBQE-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C(=O)[C@H](C)[C@H](C)C(C)C)CC1	2301836574	NMGRXVZDPFCVOF-LMRVLLHPSA-N	238.415	4.700	0	10	BJAE	
CCCCCCc1cc(C(C)C)ccc1OC	2302229332	SSPGYFSKWJUCAF-UHFFFAOYSA-N	234.383	4.941	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@H]1CCC(C)(C)C1	2302671262	MNLXDZPWIRHPNA-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)C[C@@H]1CCC(C)(C)C1	2302751555	UYRLLUKIDMOBSC-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1C(=O)CC1=CCCCC1	2303444432	JUCUZOMNWNGABZ-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](C)[C@H](C)NC(C)C)CC1	2303522345	HLPIJDWHSVYBHM-OWCLPIDISA-N	237.431	4.536	0	10	BJAE	
CC[C@@](O)(C[C@H]1CCC(C)=C(C)C1)C(C)(C)C	2303525596	VRIDAPXVFWZMGU-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@@H](CCCCNC(C)(C)C)CC1	2303526313	QEUKWLLJZHWLHQ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](O)[C@H](C)C(C)(C)C)CC1	2303526720	ZIVFETDLHRTOIN-RRFJBIMHSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)CCc1nc(C2CC3(CC3)C2)cs1	2304458152	MFBSDGJDCTWETG-UHFFFAOYSA-N	249.423	4.779	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)C[C@@H]2CCCC[C@@H]21	2312333117	YUIGIBKJGWDONM-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CC(=CCN[C@@]1(C)C=CCCC1)CCCC(C)C	2316493648	YYQUPDMMMNGGKU-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CC12CCCC2	2316510071	SFKMNPSDVRRKPY-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CCc1ccc2c(c1)CCC(C)(C)O2	2316571919	XYLGZTJIVZWQTM-UHFFFAOYSA-N	244.378	4.689	0	10	BJAE	
C[C@@H](CC1CCCCCC1)[C@H](O)c1ccccc1	2316876150	SAHXAPUZFDQXDS-YOEHRIQHSA-N	246.394	4.717	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCCC1	2316876385	VEOPKGSJJVTOHV-DZKIICNBSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@]2(CCN2CC2CCCCCC2)C1	2316884850	KCFUVDUJQYUKQK-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CN[C@H]1[C@H](CCCC2=CCCCC2)CCC[C@H]1C	2318540471	QDMKSKYSUZRFET-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](CO)(CCCC2=CCCCC2)CC1	2318541709	MUBKKHYZBSFOFM-QGZVFWFLSA-N	248.410	4.766	0	10	BJAE	
C[C@]12CC[C@](C)(C1)N(CCCC1=CCCCC1)C2	2318594434	FYSNVGSJPYSHTE-DLBZAZTESA-N	247.426	4.532	0	10	BJAE	
CC(C)C[C@H]1CCCN1CCCC1=CCCCC1	2318595859	SXIXRRCUIAKHNB-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
NC1(CC[C@H]2C[C@@H]2C2CCCCCC2)CCCC1	2318858824	XBGXPZIJGWKHMY-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(F)c1NC[C@@H]1CCC(C)(C)C1	2319101355	GYEFWCQSRBRVDH-GFCCVEGCSA-N	249.373	4.626	0	10	BJAE	
CCCCCC[C@H](O)Cc1cccc(C(C)C)c1	2320634860	UROCJGXPJZWMBA-KRWDZBQOSA-N	248.410	4.684	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@H](CC2CC2)C2CC2)C1	2320691529	FMZKKRWLKBFAHH-WQVCFCJDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2CCC3(CCC3)NC2)C1	2321630408	HCMISDFISQGFBA-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C(C)(C)c1ccccc1	2328282751	RMLFEVGJTXANRU-GOEBONIOSA-N	248.410	4.542	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@H](C)c1ccccc1	19230335	ZKWGQOQYGBPQTI-JKSUJKDBSA-N	247.426	4.596	0	10	BJAE	
CCN[C@H](c1ccc([C@@H](C)CC)cc1)[C@@H](C)CC	35544226	QJMJSCNEIIAORW-ZQIUZPCESA-N	247.426	4.897	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)c1ccc(C)c(C)c1	36792206	YJLLRPDLIGEBCV-HZPDHXFCSA-N	247.426	4.923	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@H]2CC=CCC2)cc1	36953290	NLFCBVNBUXCVIF-CABCVRRESA-N	243.394	4.968	0	10	BJAE	
CCCC(=O)c1ccc(-c2ccccc2C)s1	36984521	RFSSMXPSJYQOSY-UHFFFAOYSA-N	244.359	4.706	0	10	BJAE	
CC[C@@H](N[C@@H](C)c1cc2ccccc2o1)C(C)C	37301594	NDFCKNOAVQZHEW-GXTWGEPZSA-N	245.366	4.518	0	10	BJAE	
CC[C@H](C)Cc1ccc(-c2ccc(O)cc2)cc1	38351539	NJILCTCTAPYSNT-ZDUSSCGKSA-N	240.346	4.648	0	10	BJAE	
CC(=O)CCCCCCCCC1CCCC1	55168248	DPWWYFKWTYCMHT-UHFFFAOYSA-N	224.388	4.886	0	10	BJAE	
Cc1cc(C)c(NC(=N)C2CCCCC2)c(C)c1	62988313	OKAYASWEKQMWHA-UHFFFAOYSA-N	244.382	4.581	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)CCCC(C)C	68985841	CWZDPGGXXJBFRF-HUUCEWRRSA-N	227.436	4.760	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](CC)CC1CC1	69671298	CCXSCGSVAJYWRY-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
C[C@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F	75839690	HMVKYWCPVNQQEV-RXMQYKEDSA-N	243.055	4.659	0	10	BJAE	
Cc1c(Cl)ccc([C@H](C)c2ccccc2)c1F	75841663	CDSUTPHOTMKNRJ-SNVBAGLBSA-N	248.728	4.939	0	10	BJAE	
Cc1cc(C)c([C@@H](C)NC[C@@H](C)C(C)C)cc1C	83898293	JIELEZRCIMPNLP-HZPDHXFCSA-N	247.426	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccccc2F)CC1	86893887	ULWBFBHACYYANT-CHWSQXEVSA-N	235.346	4.597	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCC1CCCCCC1	89560684	FRHWJXVEUVYXHD-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC1=CCC[C@]2(C)CC[C@@H]3C(C)(C)C[C@]132	100826331	WHXUZXDWQKUIJL-YUELXQCFSA-N	204.357	4.559	0	10	BJAE	endogenous,in-man
CC(C)C1CCC(NCCC2=CCCCC2)CC1	104035237	SDQBPOXWYYKMLH-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCCC(=O)[C@H]1CCCc2ccccc21	128186812	ALQASPQFZTUHFB-INIZCTEOSA-N	244.378	4.502	0	10	BJAE	
CCCCCC[C@H](C)[C@H](NC)c1ccccc1	128425078	SLUOJKRPSDZWDS-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CCCCCC[C@H]1C[C@H](CCC)CC[C@@H]1CN	150150686	LJPWPTZFFFEXIL-OWCLPIDISA-N	239.447	4.748	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)C1CCCCCCC1	158861741	XLTJNZZIAQDLAL-NUEKZKHPSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(-c2c(C)ccc3ccccc23)c(N)c1	164301143	TWOBQASZWCNIMM-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CCNC[C@H](CCCC(C)C)c1ccc(C)cc1	166089652	HIBKVAFSJBDYFZ-KRWDZBQOSA-N	247.426	4.514	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)C[C@H]2CCCCC2=O)c1	196683243	JHERADDOHOZHPL-LSDHHAIUSA-N	244.378	4.556	0	10	BJAE	
Fc1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1	203087224	PSLAWCWBGMLVSV-UHFFFAOYSA-N	245.684	4.627	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC2CCCCC2)CC1	203698382	MAAVRWSUAFFJMP-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CNc1ccc(/C=C/c2ccc(Cl)cc2)cc1	204855998	OYVQMILFIVPOOC-NSCUHMNNSA-N	243.737	4.552	0	10	BJAE	
CCCCCC1CCC(C(=O)CCC)CC1	225471873	NLFVOLWCJZXDPB-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
Cc1ccc(F)cc1C(=O)[C@H]1CCCCC1(C)C	226784728	DUFYNNNTGGPEPV-CQSZACIVSA-N	248.341	4.533	0	10	BJAE	
CCCc1cccc(C(=O)[C@H]2CCCC2(C)C)c1	226800574	XOKANALQWQYDIT-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CCc1cccc(C(=O)CCC2CCCCC2)c1	229260750	FCFYRUUJFUXIEY-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC23CCCCC3)cc1F	230162193	VKADGJFWEHHRBC-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cccc(N)c2C)cc1	232217181	FCBHCPPRQSLVFN-GFCCVEGCSA-N	239.362	4.758	0	10	BJAE	
C/C(=C/CCNC(C)C)C1=CCCCCCC1	232636533	RSJNNWCEONRJHR-YZGCOQPUSA-N	235.415	4.601	0	10	BJAE	
CC(C)(C)[C@H](O)CCCCC1CCCCC1	300751506	LFVOUXIWWYTHLW-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](CCC1CCCC1)NC	302295996	YQCNSWYFRSGMPL-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(S[C@@H]2/C=C/CCCCC2)c(N)c1	306035512	SIRJSZBZCAUZII-VUDGCMKMSA-N	247.407	4.558	0	10	BJAE	
CCC(C)(C)c1csc(CCC(C)(C)C)n1	309339092	KGLSPKSIOUHSAN-UHFFFAOYSA-N	239.428	4.809	0	10	BJAE	
Cc1cc(C)c(CNCCCC(C)(C)C)cc1C	313261215	JBOVACUKLQTKCX-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
CCC[C@H](NCC1(CC)CCC1)C1CCCC1	313380081	ALGXXXYKAKOSCW-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNCC)CCC[C@@H](C)C1	317143207	QLZGGQIHDAIBNE-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCC1(CNC2CC2)CCCCCCC1	319000639	VUENLUNXGPUNDI-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H]1CCCc2ccccc2C1=O	319742159	SLZLZLRQPWCJKH-GZBFAFLISA-N	244.378	4.504	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)CCC2CCCC2)CC1	328443329	HOYACGUYEOXBPH-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
Cn1ccc(-c2ccc3scc(Cl)c3c2)c1	381622929	JJMCTXAIAYGQSL-UHFFFAOYSA-N	247.750	4.560	0	10	BJAE	
CN[C@H](CCCCCC(C)C)CCC(C)C	383152039	ONPVOPKGNZAWHU-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)[C@H](CCCCCC(C)C)NC	383311022	VUGPGIJXHGGQHH-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC(C)(C)C[C@H]1C	383460950	AUSKVKHOVVMBIA-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC/C=C/CN[C@H](CC(C)(C)C)c1ccccc1	385083537	XAHVROXZZLLAOS-VGZDNEPHSA-N	245.410	4.720	0	10	BJAE	
CCCC(CCC)c1nc2c([nH]1)[C@@H](C)[C@@H](C)CC2	385176477	ZQQDVXMBZLAUFQ-RYUDHWBXSA-N	248.414	4.779	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](CC)[C@@H]1CC1(C)C	397716372	WGBZKERYPHYPBN-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@@](O)(CCC)[C@@H]1CC1(C)C	397736120	GRXVOYHQTLVYOW-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)CC2(C)CC2)cc1	401402904	WSJQGEJOYDOIRY-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1CC=CCC1)NCC	402322631	LFHBJSQOSYHBBY-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CCCCC1(C)C	402372210	SVEJKXQDPSNUJQ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC(CC)CC)CC(C)(C)C1CC1	405730802	LVLUYWKAFOYVEV-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](N)CCC(C)(C)C1CC1)C(C)(C)C	405792587	GXQRJYFNROPIET-OCCSQVGLSA-N	239.447	4.602	0	10	BJAE	
CCc1ccc(C(=O)CCC(C)(C)C2CC2)cc1	405813207	MLPHBSSNNIOJGX-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCC1(/C=C(/CNC(C)(C)C)C(C)C)CCC1	686136837	JLMPHMMNSVVDLY-KAMYIIQDSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](C)NCC1(C(C)C)CCC1	687274218	XAFKUQNHPJIDNO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCCC2CCC2)C1	688841191	YEFQDPLZAPSIBX-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(C)c([C@H](C)NCCCC2CCC2)c1	689010117	GIACEKSMMVYLPE-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@H](C)SC2)c1	689396566	ALBUAPDKIJVXJM-SWLSCSKDSA-N	249.423	4.506	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1ccc(F)c(C)c1	691133614	FCTPAGIAURCAJV-XJKSGUPXSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H](N[C@H]1CCC12CCCC2)C1CCCCC1	694332019	QYEKMMGZQIFRNX-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC(C)(CC(=O)C(C)(C)C(C)(C)C)CC(F)F	694655715	JICBVTFVFASILD-UHFFFAOYSA-N	248.357	4.699	0	10	BJAE	
CC(C)(C)Oc1c(Cl)cccc1C(C)(C)C	694961016	USIMJGFPLZVNRR-UHFFFAOYSA-N	240.774	4.815	0	10	BJAE	
CC(C)(CC[C@H](N)C1CCC2(CC1)CC2)C1CC1	695666876	MYQAPQZPWRXMDK-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1CCCC[C@@H]1C1CC1	695837534	KQIQDERRAKIZTF-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@@H]1CCCC2(CC2)C1	695939516	ZCJMVZZDYPXWCQ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@@H]1C1CC1	696112761	SWOLCLWXIXDYDA-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C(C)(C)C(C)(C)C	696648302	XRBYNCYXZSKCCN-LBPRGKRZSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCC[C@@H]1C1CC1	696727130	LITDNTVDTQROMK-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCCCc1cccc(Cl)c1F	698103175	HAMCNRSGALDRTH-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
CN[C@H](CCCCCC(C)C)C1CC(C)(C)C1	701447726	XAGMGPGTXHHLJZ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)C)cc1)C(F)(F)F	702899593	IXACYKJWBQWTPX-LBPRGKRZSA-N	245.288	4.563	0	10	BJAE	
CCCNC[C@@]1(CCCCCC(C)C)C[C@@H]1C	703331096	LOCYRBNEIJLWDJ-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)[C@@]2(C)C[C@@H]2C)cc1	704372190	MRDJYPHYXUERRW-SJCJKPOMSA-N	244.378	4.603	0	10	BJAE	
CCC[C@](N)(C1CCC1)[C@H]1CCC[C@H](CC)C1	705365016	SIIRMXKSZXFDCI-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@@H]2CCCC23CC3)CC1	706287805	XPNXMRXJTUZTGN-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@@H]1CCCC12CC2	706310193	KEYXCLJIXKKBGZ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCSc1cccc(NC[C@H](C)C(C)C)c1	709756077	LMMHSCLNLCVYID-LBPRGKRZSA-N	237.412	4.503	0	10	BJAE	
CCC1(C[C@@H](NC)[C@H]2CCCC3(CC3)C2)CCC1	710144542	ZJQNAXCGBIBXDI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC(=O)CCCC(C)C)C(C)(C)C	711179841	QQANHRATSUYZJZ-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
C=C/C=C\CCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NC	713733693	ZFSVSKQXQOMZPB-WPGRVJDUSA-N	249.442	4.559	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)C1CCC(C)CC1	713750719	YLOQMKMERSHTQB-GLFNWFFDSA-N	249.442	4.703	0	10	BJAE	
O=C(CC1CC=CC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714391315	UIXBOQUIQRREJI-OWCLPIDISA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](c1cc(C)co1)C1CCCCCCC1	716113109	GNIKNVLPHZFHHU-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@](N)(CC)CC1CCCCC1	720402551	RRGZKSKOMINWKP-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC(C[C@@H](N)CC2CCCCCC2)C1	723569558	YXHHKUOEMRYSHX-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCCCCN1CCC2(CCCCC2)CC1	1647327640	XDCQANUBTRNMKA-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
C=C=CCCCc1cc(Cl)cc(Cl)c1	1894891601	JLYCKEOFORLPQD-UHFFFAOYSA-N	227.134	4.657	0	10	BJAE	
CCC[C@@](O)(CCC(CC)CC)C1CCC1	1900703836	UHCMJEFDZHIPAU-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CCC[C@@H](C)CC1	1900899579	CEKHAJYSAMCVJY-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1cccc(Cl)c1F	1901708960	LHVRXSPYMDSJOT-ZJUUUORDSA-N	243.753	4.572	0	10	BJAE	
CCC(CC)c1cc(C)ccc1C(F)(F)F	1901881176	LCPODTUXCFVTIX-UHFFFAOYSA-N	230.273	4.917	0	10	BJAE	
CCC[C@H](CC)CC(C)(C)CCNC(C)C	1905360787	MFELDCAVNVBCQT-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)C[C@@H]1C[C@H]1C	1909602766	PWMXISBXFYLZJI-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N)CC[C@@H]1C[C@H]1C1CCCCCC1	1910745910	RGARSIRJDNJRIU-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](O)(CC)CC1C[C@@H](C)C[C@H](C)C1	1919486549	VKWYEIJGXQRHIB-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CCCC1CC([C@H](CC(C)(C)CC)NCC)C1	1921267187	UWLXTOMMJBVFHT-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCCC12CCC2	1921614612	GZYWCEWZNUUNKK-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
c1cn(CCC2CCCC2)c(C2CCCCC2)n1	1923567074	JRPFEWYSMZPFLY-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
O=C1[C@H](C[C@@H]2C=CCCCC2)C[C@@H]2CCCC[C@@H]12	1925764417	ZCUVUELOFFHHPA-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2C=CCCCC2)c1C	1925808647	ZLUHBUFYRKVGLY-OAHLLOKOSA-N	242.362	4.623	0	10	BJAE	
C1=C[C@@H](Cc2cnc3ccccc3c2)CCCC1	1925830624	RRZMUXYWLGHTEL-CQSZACIVSA-N	237.346	4.524	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@H]2C=CCCC2)C1	1932603931	JMSMITRRBQUJKH-LJISPDSOSA-N	206.373	4.805	0	10	BJAE	
Cc1scc(C(=O)CCCC2(C)CC2)c1C	1935940242	ODCFBNUKUYWKBP-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H](CCC)C(C)C	1936206605	IBBYINBIMKJSDJ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](N)CCC1CCC(C)(C)CC1	1939109691	GBNSDXBQZKLCII-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(O)CC1(C)CCCCC1	1940409703	PKETYAXYHOSUQZ-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](CC2(C)CCCCC2)[C@@H](O)C1	1940412860	JCPQEKZDNDPEOW-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CC1(C)CCCCC1	1941252006	OAFRWUZAQBCXRF-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@]1(CCCCCC2CC2)CCCN1	1941587118	PKXHEYXXJSKUEF-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC2CCC=CCC2)C1	1941792887	KKERIKFLZQIARZ-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
C[C@H]1CCCC[C@H]1CNC1(C)CCCCCC1	1945602177	AGZHBWDQUOWWLV-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@H]2[C@@H](CC)[C@H]2C)cc1	1945662246	AVHGQRUITQLEAL-SHUKQUCYSA-N	232.367	4.623	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@H](CC)C1	1947465740	IPDSYRIMTYFFCV-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC1(C(=O)C2CC(C)(C)C2)CCCC1	1948276673	WCLOVLMOKLHWEF-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC1CC(C)(C)C1)NCCC	1948432340	YOUGDKWQIGVPDJ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C1=CCCCCCC1	1948950150	VFYNFRJAEAFJBI-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CC2(C)CCC2)CC1	1948968093	RDVOXBWLBXSMJX-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C=C1CCC[C@H](CCN)C1)CC(C)(C)C	1950512244	FSOVGJYQUBUDEZ-UONOGXRCSA-N	237.431	4.524	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@H]1CC12CCCCC2	1950642035	NEISFSRNPVIJPM-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCCNC[C@@H]1CCCC(C)(C)CC1	1950919189	NGFRQRWWTGNVJJ-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC=CCCc1c(C)cc(OCCC)c(C)c1C	1951308224	BWAVJDHWRBNDSU-UHFFFAOYSA-N	246.394	4.909	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@@H](C)CCC	1964259459	SPCPJXFSVHEMRF-GJZGRUSLSA-N	227.436	4.571	0	10	BJAE	
CC(C)c1ccccc1NCC1[C@H]2CCCC[C@H]12	1968298767	KGCGSZCMPSARFD-GJZGRUSLSA-N	243.394	4.658	0	10	BJAE	
Cc1ccc(NC2C[C@H]3CCCC[C@@H]3C2)c(F)c1	1968326176	DCWADUFQASNQOF-CHWSQXEVSA-N	247.357	4.515	0	10	BJAE	
C[C@@H](CN[C@@H]1CCC2(CCC2)C1)C1CCCCC1	1969017027	ZDQKNRDMLLDVTQ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H]2CCC3(CCC3)C2)C1	1971461513	LMCZNJKMXBMQIV-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CN1CCC(C)(C)CC(C)(C)C1	1973013539	DPZDNAZRWJHMKI-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCCCC[C@@H](O)[C@H]1CCCC(C)(C)C1	1978331165	ZDPMYWZLTIVMMQ-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CCCC(C)(C)C1	1984591534	PZIQDNODQYHILP-IHVVCDCBSA-N	222.372	4.518	0	10	BJAE	
S=c1cc[nH]cc1-c1cccc2ccsc12	1989478162	DUTMRTXXPOYICQ-UHFFFAOYSA-N	243.356	4.626	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1(CCC)CC1	1990574849	DKPNISAEJVDWTO-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC(C)(C)CC1=O	1993757114	BMNLMTGBWOCTSM-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
C[C@H](N[C@H](C)CCC1CC1)C1(C)CCCCC1	1995991355	ORPMPCXBWVMQIG-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CCC(C)CC2)cc1	1996546585	LQNDZLVASLPPLA-HNFVBEJKSA-N	231.383	4.622	0	10	BJAE	
CC[C@@](O)(C1CCCC1)C1CCC(C)(C)CC1	1996547649	OSLBLBGCIBSWOC-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC1CCC(C)(C)CC1	1996613350	QMRDZRSMJSUZAT-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)CNCCCC1CCCCC1	1996617600	TYYLJSQKDHANAP-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CCCC(C)C)CC1	1997117574	RYCLPDNELCDBAU-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(C)CCC(C)(C)C)CC1	1997189266	UKTQBXOTLIKLOJ-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@H]1C=CCCC1	1998377057	IXPBLAYFMKAAOO-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CCC=CCCC1)C1CC1	1999981362	MZLCHOQLSBDZLF-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CC(C)(C)C(C)C)C1	2000171310	YEHUTGNEAFDZCK-TZMCWYRMSA-N	236.399	4.620	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1CCCC(C)(C)C1	2000176961	UTXOWMUBGJYYKT-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C=CC=CCC[C@H](NCC)c1sc(C)cc1C	2000377243	UZNOILBAPBLDJP-AWEZNQCLSA-N	249.423	4.538	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@H]1CC=CCC1	2000500090	QOQCUEUHXXQMSE-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@@H]1CC[C@@H](C)C1	2000508944	MXLJZWUCFQMUTO-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CC12CCCC2	2001249540	FAJYJKRDKDLPOZ-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@H]1CCCC(C)(C)C1	2002992921	GRRUACDNGLMZPA-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1C=CCCC1	2003069930	FWULENPZBIURQW-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CCC2(CC2)C1)NCC	2003211136	KYYTVVOHQICKQA-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC(C)(CC)CC)c1ccco1	2003682769	ZIFHMPVSBXJIIK-CYBMUJFWSA-N	237.387	4.537	0	10	BJAE	
CC=C(C)[C@H](NCC)C1(C)CCCCCCC1	2007853645	MHUGJOPCMXAISO-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC(C)(C)CC)[C@H]1CC	2009248131	GITXCLAQRIJBJD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCc1cccc(OC2CCC2)c1	2009592267	YMUMKSXVEOPDEW-UHFFFAOYSA-N	230.351	4.517	0	10	BJAE	
CC[C@H]1CCC[C@H](CCC(C(C)C)C(C)C)N1	2015344961	NCYJGEBPNGOYEE-LSDHHAIUSA-N	239.447	4.616	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@H](C)C(C)(C)C)CCC1	2015640442	RXVUPOIPILQQGO-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(C[C@@]2(N)CCC[C@@H](C)CC2)CCC1	2017140042	CIWWGFVEDUPFJB-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@]1(N)CC1(C(C)(C)C)CCC1	2017148985	VFYHNZGTDKIPQD-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC[C@]2(C)O)CC1	2017718951	IBQFEMKBKRPAFC-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)[C@H](C[C@H]1CC[C@H](CC)CC1)NC	2017724882	ZUPUXMHKKWLFHD-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C2(C(C)C)CC2)CC1	2017776531	PYJHRVSONWJHEB-HDJSIYSDSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(F)c(F)c1	2018127408	FWXIKBQHAAYIET-LLVKDONJSA-N	241.325	4.736	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CCCCC[C@@H]1C	2019406185	DIAWAZDIWJBHMK-HRCADAONSA-N	239.447	4.712	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@@H]1C=CCCCC1	2019537744	VHKZAONOVPRLFQ-JKSUJKDBSA-N	237.431	4.776	0	10	BJAE	
CCCN(C1CCCCCC1)[C@@H]1C=CCCC1	2020499999	ADJJTYBVIXMSLX-MRXNPFEDSA-N	235.415	4.530	0	10	BJAE	
CCC[C@H]1C[C@H]1CC1(O)CCC(C)(CC)CC1	2022450050	CKEXMGNMOKBTMM-FXQLRMTLSA-N	238.415	4.534	0	10	BJAE	
CSc1ccccc1NC[C@@H]1C[C@@H]1C(C)(C)C	2022478918	XQZYFQQOUMQUIG-RYUDHWBXSA-N	249.423	4.503	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CC(=O)C1(C)CCCCCC1	2022554394	NYOZHYRVAVXIPR-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](C)CC(C)(C)C	2023446671	HYQLFZWAQVQJMM-LLVKDONJSA-N	237.362	4.625	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@](C)(N)C2CCCC2)C1	2024102326	RFRSFWSGXIHYCQ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC1(C)CCCC1	2026166770	MGMUBWWVNPSLDU-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)CCC(=O)c1cccc2c1CCCC2	2029695714	BUKOXRIIZPITTE-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
C1=C(CCN[C@@]23CCCC[C@@H]2CCC3)CCCC1	2031798266	KVGSJHYYSVWTDZ-IAGOWNOFSA-N	247.426	4.579	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](NC2(C3CCCC3)CCC2)C1	2033048025	FOBDXIHBBAZARL-FOLVSLTJSA-N	249.442	4.514	0	10	BJAE	
CC1(CCN[C@@H]2CC3CCC2CC3)CCCCC1	2033210527	MQEUDISHXWLGCA-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NCCC1(C)CCCCC1)c1ccco1	2033214217	HOIORQWJORXXHY-CQSZACIVSA-N	249.398	4.681	0	10	BJAE	
C1CCCC(CNC2C[C@@H]3CCCC[C@H]3C2)CC1	2034154564	BOQCDNLDGNJGPN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@H]2C=CCCC2)cc1	2035555994	OIKDVVWJMNEMGP-CABCVRRESA-N	244.378	4.935	0	10	BJAE	
Cc1cccc2c3c([nH]c12)CCCCCCCC3	2035891200	TZLGPUINBGDWMR-UHFFFAOYSA-N	241.378	4.916	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](n2ccnc2C2CCCC2)C1	2036775754	IQSDXNHBBYXJRH-NHAGDIPZSA-N	246.398	4.538	0	10	BJAE	
CC(C)[C@@H](c1ccccc1)[C@@H](N)CCC(C)(C)C	2037099498	UMWXQSDLMVWTRD-HOTGVXAUSA-N	247.426	4.580	0	10	BJAE	
CC[C@](N)(CCC1CCCC1)c1cccc(C)c1	2037105816	SIAVKXLWSKDWDE-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
N[C@@]1(CCC2=CCCCC2)CCCC[C@@H]1C1CC1	2037171473	IZMRNWCSZBFHQJ-IAGOWNOFSA-N	247.426	4.565	0	10	BJAE	
CC(C)CCCCC=C1CCC2(CCNCC2)C1	2037729868	NRBSXDXJYTUVKB-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc([C@H](N)[C@@H]2CCC[C@H](C)CC2)cc1C	2039363357	PDSGDPCGAZDGHP-XGWLTEMNSA-N	245.410	4.520	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2CCC=CCCC2)CCC1	2045314319	IUGJSDZKPSQEMG-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@@H]1C(C)=CCC[C@@H]1C	2045750871	YLCCWZAUMLOSNR-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@@H]1CC12CCCC2	2047006900	DYVDUAYYGPQDGZ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@]2(N)CCCCC23CCCCC3)CCC1	2047565462	GVXHRSMMIREXGB-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)CCC1	2048466318	WFFVGNKPKPQCEU-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCC2)CCCC(C)(C)C1	2049512597	UPRLSPCFIFBUJM-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
N[C@@H]1CCCCCCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2	2049704023	KBQHQFXJPIVWID-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(C[C@H]2CCCC3(CC3)C2)C1	2049846547	UIXQYCBJDPYMDC-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
N[C@@H](CCC1CCC2(CC1)CC2)CC1CCCC1	2049847432	BEGWDPAIZIKGFL-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)C[C@H]1CCCC2(CC2)C1	2049850550	YQUVWHHKSQEWGW-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CCCC2(CC2)C1)C1CCC1	2049867393	UUMCMXJSCZGYNF-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@@H]1CCCC2(CC2)C1	2049952673	YYVACIPTNWLLPH-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
Cc1ccc([C@H](O)CCC2CCC=CCC2)cc1	2050441144	KNKGWWXUOSBGGW-QGZVFWFLSA-N	244.378	4.555	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCCC12CC2	2053329628	YWXOTNDLHOLEFY-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@H]1CNC[C@@H]1C=CCCCC1	2053394903	UDQJUSNRKUWRPN-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC1CCC([C@@H](C)Nc2ccc(CF)cc2)CC1	2055672276	RBQTZBHOBPFJQR-JVWICGRDSA-N	249.373	4.783	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2056535302	AOSDCMMZMKHMEC-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)C2(C)CCC3(CC3)CC2)C1	2056552800	NICMNDJRRDAYEA-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CCC[C@H]2C[C@H]12	2057352193	AQUFUVMOPWKOKC-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CCC[C@H]3C[C@@H]23)CCCCC1	2057360585	JOZUAXAZGQKMMW-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C12CCC(CC1)CC2	2059179564	CAPVMSBVGCNIML-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2059202842	DGZDCBAEUMHBJJ-JPSIVZSRSA-N	248.410	4.908	0	10	BJAE	
CC=CCCC[C@]1(CNC2CC2)CCC[C@@H](C)C1	2059254500	ZVGVZPNENURPLC-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2059268651	ZYQMXAUABGCOKO-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC=C([C@]2(O)CCCCC23CCCC3)CC1	2060918385	MTOBTPJCEOQXHK-WMLDXEAASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)C(C)(C)C1CC1	2060920634	FYMZXNOUTFIBKI-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CCCC1)C1=CC[C@@H](C(C)C)CC1	2061089280	RXEIQJPWZNFWMH-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H](C)C1CCCCC1	2061563229	MSTQRVCQBLXSHT-WBVHZDCISA-N	249.442	4.692	0	10	BJAE	
CC1CCC(C)([C@H](N)CC[C@]23CCC[C@H]2C3)CC1	2061571390	KEEJYZPEWUCDQB-FXUHHZDVSA-N	249.442	4.501	0	10	BJAE	
CCCCN(CC1CC(=C2CCC2)C1)[C@@H](C)CC	2061678747	FYUCARLBXXXNRF-AWEZNQCLSA-N	249.442	4.778	0	10	BJAE	
CCCN[C@@H](CC1CC(=C2CCC2)C1)[C@@H](C)CC	2061725004	AEZQLIXYHOXDMA-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
C[C@](N)(CC1C[C@H]2CCC[C@@H]2C1)C1CCCCC1	2063497357	QDNHIHCVWJHCNN-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1C[C@@H](C[C@H]2CC=CCC2)CC(C)(C)C1	2063638429	PPRBTUMZMKVDHY-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CC[C@@H](NC3CCCCCCCCC3)[C@@H]1C2	2065665736	XBGWPTOQXBUXPK-GVDBMIGSSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2065989897	IMEDNTZREMUOIL-YVSFHVDLSA-N	249.442	4.536	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C1C[C@@H]2CC[C@H]2C1	2068721608	BBFMCDDUPGLRHY-ILXRZTDVSA-N	246.394	4.518	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](O)c1ccccc1C(C)(C)C	2068816505	BHILSHHGKDDGKU-XJKSGUPXSA-N	248.410	4.700	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCCC1)C1(CC(C)C)CC1	2069515012	VTUQNOXQZYNQLD-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)c1cccc(C(C)(C)C)c1	2070950131	GKSRZVOGJHCNJZ-SJKOYZFVSA-N	244.378	4.603	0	10	BJAE	
CC(C)(C)NCC1(C[C@]23CCC[C@@H]2C3)CCCC1	2070964058	SWFOLUJDFDBWCA-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(C[C@@H](C)C(=O)c2ccccc2)CCC1	2071925733	IGEOSFLAKURUMC-CQSZACIVSA-N	244.378	4.722	0	10	BJAE	
CC[C@H]1CC=C[C@@](N)(CC2(C(C)(C)C)CCC2)C1	2071926306	NULUXVSMBYEJBP-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(C)[C@H]2CCCCN2)CC1	2072822446	UYRPZDZBULMRRG-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@H](C[C@]23CCCC[C@@H]2C3)NCC)CC1	2074026032	RQIQFXDXTQKBCE-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](C[C@@]12CCCC[C@@H]1C2)C1CCCCCCC1	2074091217	OKIOWARBNRXSAU-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@H](C)c1ccccc1	2074779241	BBVDMHOPMOYGHH-NVXWUHKLSA-N	247.426	4.894	0	10	BJAE	
CN(C[C@]1(C)C=CCCC1)[C@@H]1C=CCCCCC1	2074808363	FDPDMCDHUNPEJA-IAGOWNOFSA-N	247.426	4.554	0	10	BJAE	
CCCCc1ccc([C@H](C)C[C@H](C)NCC)cc1	2077920540	LZGDUUIHEYNLBI-CABCVRRESA-N	247.426	4.521	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2C[C@@H]2C2CCC2)c1	2079282529	NAQHYAXHDRMAPA-NVXWUHKLSA-N	243.394	4.658	0	10	BJAE	
C1CCC(CN[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079533708	ZQWYFEWQQDVYAJ-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC(=C2CCCNC23CCCC3)C1	2083813514	CMIRHPOJPYKSGW-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC(C)(CC[C@@H]1CCCNC12CCCC2)C1CC1	2083815958	MPFRIHHOLFSTLG-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]2CC[C@H](C1)N2[C@@H]1CCCC(C)(C)C1	2084521190	VYPJULNAOJFJJZ-LVQVYYBASA-N	249.442	4.608	0	10	BJAE	
CC(C)(C)NCCCCCCCCC1CC1	2210525075	LMWXEZUEFZMPFD-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC(CC)[C@@H](O)CCCCCCC1CC1	2210526458	FOYHMEIAZGODLY-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CCC[C@H](CC=Cc2ccccc2)C1	2210661546	AQRAQJNWWMQUEG-GOEBONIOSA-N	214.352	4.916	0	10	BJAE	
CCCC=CCNc1cc(C)c(Cl)cc1F	2210739915	ZVEBVNGMRIWEMK-UHFFFAOYSA-N	241.737	4.556	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@]1(C)CC=C(C)CC1	2211855966	IWDZTEJZFVEHEY-HNNXBMFYSA-N	222.372	4.518	0	10	BJAE	
Cc1cc(Cl)cc(O[C@@H]2CCC[C@H](C)C2)c1	2212534307	YLYPZJXJWOBLDH-GXFFZTMASA-N	238.758	4.606	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213285845	UNTPPVHHUWVMKB-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CCC(=O)c1ccc(-c2sc(C)cc2C)cc1	2213605734	IGNVEGMVIFZYHG-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(O)CCCCC1CC1	2214564848	YFOZOPJSRRYOOR-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@H](C)CC(C)(C)C	2214565542	NRERQIMKVCTOCI-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CC)CCCC(C)(F)F	2217153687	NQDLADHIJAPHAZ-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@@H]1CCC[C@@H]1C	2217157322	RVXUTVAFCPTLBZ-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CNC[C@]1(CCCCCCC2CC2)CC=CCC1	2218727986	XFKYJVLNVXIKFQ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CN(CCCCC1CC1)C1CC2(CCCCC2)C1	2220017707	VWXUYQBDSPLPQG-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)CCCCCn1ccc2cccc(F)c21	2220307823	QFJZVRZQMVMZGV-UHFFFAOYSA-N	247.357	4.997	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@@]1(CNC(C)(C)C)CC=CCC1	2220670908	HXENIMKXOAEIJA-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H](C)Oc1ccc(C(=O)CC)cc1	2220724879	VYPLAWJKAUULHW-ZDUSSCGKSA-N	248.366	4.627	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC1(C)CC2(CCC2)C1	2220934275	AATBUPBWMIFQCO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
NCC1(CC[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1	2222922351	UTHCORBJNHLWOW-XHSDSOJGSA-N	249.442	4.502	0	10	BJAE	
CCCC=CCNC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222955401	SOGRAMHMVYFZNG-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1csc(C)c1C	2242648192	OJOKLQYZBLKUPU-CYBMUJFWSA-N	240.412	4.615	0	10	BJAE	
Cc1cc(C[C@@H]2C=CCC2)cc2ccsc12	2243750785	LGSRAAJQMOAJKB-GFCCVEGCSA-N	228.360	4.718	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	2246664219	IDXVWSVGOZOEFA-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CCNCCC(C)(C)CC[C@@H]1CCC[C@@H](C)C1	2246687640	PUEKRKXLGULKRR-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CCC2(C)C)CCCCCC1	2247308694	GXDQKAMMEGSHNH-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](O)CC[C@H]1CCCC12CC2	2247666351	SFVNNQBOAMMDGD-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCc1cc(Cl)ccc1-c1cccc(NC)c1	2248363189	SRXMQWSOUOCWRR-UHFFFAOYSA-N	245.753	4.611	0	10	BJAE	
CCC(CC)[C@H](N)c1cc(C)c2sccc2c1	2248580206	VSYZCWONWPRXRZ-AWEZNQCLSA-N	247.407	4.646	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@H]1CCCC2(CC2)C1	2250351117	AEDMFWFCOFSDNU-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]([C@H]1CC[C@H](C)C1)[C@H](CC)CCC	2250360834	YYCPPBDFZAKOGQ-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(CN)C(C)C	2250490333	IBOWKCKDMQPZQZ-JKSUJKDBSA-N	241.463	4.850	0	10	BJAE	
O=C(CC[C@H]1CCCCC12CC2)CC1CCCC1	2253799075	DCQSLOGHCVYJRO-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@H](C=C1CN[C@H]2CCCC[C@@H]2C1)CC(C)(C)C	2253816391	WSOQUCSPSNGMFB-BMFZPTHFSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2(N)CC(C3CCC3)C2)C1	2253940172	YKOXBMHGASVDAE-HOBHPSKFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C(=O)CCCC[C@H]1C[C@H]1C)c1ccccc1	2254606201	FELJZFUNQVFFLZ-FMKPAKJESA-N	244.378	4.576	0	10	BJAE	
C[C@@H](NC[C@@H]1CCC12CCC2)C1CCCCCC1	2254954641	NDXOLFKBGZYYKL-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC(C(=O)C[C@H]3CCC3(C)C)C2)C1	2254977837	OFAHQOHOMYYZOJ-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)CC2=CCCCC2)c1	2255092021	QACCKMNHYRGHID-QGZVFWFLSA-N	244.378	4.536	0	10	BJAE	
CCCNC[C@]1(CC2=CCCCC2)CCC[C@@H]1C	2255098496	DEVOVVVHZNZJKL-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
C[C@H](NC(C(C)(C)C)C(C)(C)C)c1ccccc1	2255425193	KMWQQTLJHYVKKB-ZDUSSCGKSA-N	247.426	4.798	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cc(C)c(C)c(C)c1	2258238118	KVVMECHKVUFMER-WBVHZDCISA-N	245.410	4.993	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1cc(C)c(C)c(C)c1	2258243333	XJEVLYILRFAMOJ-NVXWUHKLSA-N	245.410	4.993	0	10	BJAE	
CCC1CCC(CC(=O)[C@]23CCC[C@@H]2CC3)CC1	2260513053	RRAIWIBWMZRMNJ-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@]23CCCC[C@H]2CC3)CC1	2260520560	LYGXGGXPAFXGRY-JKQORVJESA-N	248.410	4.742	0	10	BJAE	
CC[C@]1(C[C@]23CCCC[C@@H]2CC3)CCCCCN1	2260677113	CTSSRDDILFIRCP-BRWVUGGUSA-N	249.442	4.659	0	10	BJAE	
Clc1ccc(C2CC2)cc1NCC1CCCC1	2300671629	KYNGLEMAJWSVFG-UHFFFAOYSA-N	249.785	4.820	0	10	BJAE	
CCC(CC)CC[C@@]1(CO)CC12CCCCC2	2300675275	CSRRDHZGEWKGQH-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](N)CC2(CCC2)C1	2300677290	XZKAPBMZMQIZAA-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC(=CC[C@H](N)[C@@]1(C)C[C@@H]1C)CCCC(C)C	2300876221	DGHYOYTWYYAFAO-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1(O)CCCCCCCC1CC1	2301037190	NMYBXPWSRUSDIX-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@H](C)[C@H](C)C(C)C	2301841098	SKASFUJLGZGCSE-BZUAXINKSA-N	241.463	4.721	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(N)[C@@H](C)C(C)C)CC1	2301946679	VROUMBKLDFGIDE-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CC(C)(CC[C@@H](N)CCCCC1CC1)C1CC1	2302570103	UJAUTWWCDUPTPU-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CCCC(C)(C)C2)C1	2302691571	RYRZZPMPVLCLOM-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCc1cscc1NCC[C@H]1CCCC12CC2	2302884825	JJLHHQRYDBKXTK-CYBMUJFWSA-N	249.423	4.693	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H]1CCC(C)=C(C)C1	2303516375	ODKKSCLAIWOGPS-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CC(C)CN(CC[C@H]1CCC(C)(C)C1)C(C)C	2304439631	LUTKHNAEYVSKQD-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@]12CCCC[C@@H]1CC2	2307891455	CIAGTOKVSDMPMR-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@]1(C)CC=C(C)CC1	2307899762	RORMVQGMUSXAFX-HRCADAONSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CC[C@@H](N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309185009	PNCUDLUZPVXLNM-ZOFXXKQRSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H](N[C@@H]2C[C@H]2C2CCCCC2)CC1	2311537919	WTDPSUSYXKTLKW-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)C[C@@H]1C[C@H]1C(C)C	2311611268	RRDXYPFITFHNSY-AESZEHBQSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312952593	KNKOWSYOKDEQEN-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1C[C@H]1c1ccccc1	2313227247	ADYQKVMNCXMHHO-KBMXLJTQSA-N	244.378	4.576	0	10	BJAE	
CC(=CCN[C@H]1CCC[C@H](C(C)(C)C)C1)C1CC1	2315275269	YXIIUJQOJWGBKJ-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@@H](O)C[C@@H](C)c1ccccc1	2316244032	VRSYFZHGOWBWOQ-RHSMWYFYSA-N	248.410	4.758	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@]1(C)CC=CCC1	2316887203	VQBHALGZUZZCPN-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cc(C)c(O)c(C)c1	2318436220	XWWYWDDUUWDGRX-AWEZNQCLSA-N	249.398	4.636	0	10	BJAE	
CN[C@H](CCCCC1=CCCCC1)c1ccco1	2318575280	CTOYPHXHUONVOQ-OAHLLOKOSA-N	247.382	4.601	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1CCC[C@H]2C[C@@H]21	2318589651	SSKANUWYZAFUAI-XHSDSOJGSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CC1CC(=C2CCC2)C1	2318927756	KSJHTMHQDJZELN-WFASDCNBSA-N	246.394	4.662	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC[C@@H](O)c1ccccc1	2320248664	VBFMPXBKRXVBNZ-NUEKZKHPSA-N	246.394	4.573	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC1(N)CCC2(CC1)CC2	2320255778	AJBYTNBCTVXHRN-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@](CNC2CC2)(CC(C)(C)C)CC1	2320267214	CIVGDSLTJYBQEP-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1CCC1(C)C	2320402975	XKAFVXZWDQDHGC-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@H](C)[C@H](C)C(C)C)c1	2320578947	XKMDQJVYUXWYPE-JKIFEVAISA-N	248.410	4.772	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1cccc2ccoc12	2328205897	HAPSRBDILXERAP-WFASDCNBSA-N	246.350	4.683	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(c1ccccc1)C(C)C	2328207349	RZSNNLYGCDKRLM-RDJZCZTQSA-N	248.410	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1ccc(C2CC2)cc1	2328211692	AVHRCMKKPICLCX-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)c1ccc(CC)cc1	2328212374	GUNUHUHDPZJRHM-RDJZCZTQSA-N	248.410	4.673	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cc(C)cc(C)c1C	2328290243	DBPWXKLPBGUITK-NVXWUHKLSA-N	247.426	4.828	0	10	BJAE	
CCC[C@@H](CC)C[C@@](N)(CC)c1cccc(C)c1	2328296206	YHCLOFNDCNYLKM-WBVHZDCISA-N	247.426	4.775	0	10	BJAE	
CCC[C@H](CC)C[C@](CC)(CN)c1ccccc1	2328307774	URMQUNCWHZCLCP-DOTOQJQBSA-N	247.426	4.510	0	10	BJAE	
CCc1cccc2sc3ccccc3c12	33650250	IEFPJOMUXITDSC-UHFFFAOYSA-N	212.317	4.617	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)c1c(C)cc(C)cc1C	35547769	GEHLPDQBYIHCGF-CXAGYDPISA-N	247.426	4.699	0	10	BJAE	
C[C@@H]1CCCCCCCCCCCCC1=O	38846236	GHCVPKCRECQSRF-CQSZACIVSA-N	224.388	4.886	0	10	BJAE	
CCc1ccc([C@@H](C)Nc2ccc(F)cc2)s1	41202495	OCAOZEBSBSDKHS-SNVBAGLBSA-N	249.354	4.623	0	10	BJAE	
CC1(C)CCC[C@H](Nc2ccccc2Cl)C1	70682625	YQEGOIVJOFVDQI-NSHDSACASA-N	237.774	4.721	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCCC[C@@H]1N	71084075	AXNQMGJJBLEEFD-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCC[C@](C)(CCC(C)C)CNC(C)(C)C	71127820	AWDNVRAKKIOCPY-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H](C)CC[C@@H]1C)c1ccccc1	85099765	MPJVGXCPNPSNIQ-YQFWSFKMSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCCC)C1CCC1	86487960	URNWUWQPLNVHGF-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C1CCC(C)(C)CC1)C(C)(C)C	87943978	GUFPEWPJEUQUOK-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CCC[C@H](CC)C1	87989501	WFJDDCDCFUWDPD-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@]1(O)CCCCC1(C)C	94284684	JYYOXSURTRCPMR-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@@H]2CCCCC2(C)C)c1	94323002	LBTQSNRVNXDIJU-GDBMZVCRSA-N	245.410	4.614	0	10	BJAE	
CC[C@H](CC[C@@H](C)N)c1c(C)c(C)cc(C)c1C	107657848	PTTWJSQWHDZCQZ-CZUORRHYSA-N	247.426	4.541	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCC(C)(C)C2)CC1	131389534	RHMYELKPFIDFPU-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCC(C)(C)C[C@H]2C)c1	155984896	MZUISKMRMDBONR-DOMZBBRYSA-N	249.373	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cccc(C(C)C)c1	163770272	HOVMVPLOZFFEJU-BBRMVZONSA-N	231.383	4.801	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC[C@@H]2CC)cc1	163771005	HDWLQVMCLTZLFR-GOEBONIOSA-N	231.383	4.630	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccc2ccccc2c1	163826283	PGJUKBJIJATURG-SUMWQHHRSA-N	239.362	4.830	0	10	BJAE	
CCC(CC)C[C@H]1C[C@H](C(C)(C)C)CCC1=O	167552766	BIZAOKJYTXMTCF-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](C[C@H](C)c1ccc(N)cc1)c1ccccc1	200768294	UQBLZEMLNNWLHW-KBPBESRZSA-N	239.362	4.566	0	10	BJAE	
CCCC(CCC)[C@H](N)c1ccc(C)c(C)c1	211859604	ZCVSRDJHBGCZJG-INIZCTEOSA-N	233.399	4.520	0	10	BJAE	
Cc1ccccc1CN(C)C1CCCCCCC1	219466115	DKOBBXJTPYHWRB-UHFFFAOYSA-N	245.410	4.540	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC[C@@H](CC)C1	226931598	NJLBIZMBLLEBOM-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@](O)(c1ccccc1)[C@@H]1CCC[C@@H](C)C1	226979981	WOMPDEBNWMWNNZ-DJIMGWMZSA-N	246.394	4.501	0	10	BJAE	
C[C@H](CC1CC1)Nc1cc(Cl)ccc1Cl	229667591	VGJCJVMQADVALZ-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
CCCCC[C@H](NCC1(C)CC1)c1ccccc1	232960922	SWFJXKDYPOTRIF-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CCC[C@@H](C)C1(CNCC(C)C)CCCCC1	233273561	GZPGIUVOCHTRML-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)Oc1ccc([C@@H](C)CC)cc1	233342646	LJXGDYJAPNAAEU-STQMWFEESA-N	220.356	4.768	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1O	250811469	HQGFRDWBCZPMLW-GVDBMIGSSA-N	246.394	4.512	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@H](CC)C1)C(C)(C)CC	253041198	LCVXHQXIEOVXGD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc2sc(CSC(C)C)cc2c1	257920319	RGDYLABYSFYNEW-UHFFFAOYSA-N	236.405	4.851	0	10	BJAE	
CNc1ccc(-c2csc3ccccc23)cc1	259352740	TYWKPYJSJJSRJH-UHFFFAOYSA-N	239.343	4.610	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)[C@H]1CCCC[C@@H]1CC	306042586	SEFUZSAFESTJCF-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(C(C)C)C(C)C)[C@H](C)CCC	306112433	WTUXFUVJLUHQAX-ZBFHGGJFSA-N	241.463	4.719	0	10	BJAE	
CSc1cc2c(C)csc2cc1Cl	307407844	HCFKGYOUODEDRV-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC1CCCCC1	308038706	XSBSNGFBSSZGMT-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)c1csc(CCC(C)(C)C)n1	308743237	MXDBLNUVHAQOLO-JTQLQIEISA-N	225.401	4.635	0	10	BJAE	
CC(C)(CNCCC1=CCCCC1)C1=CCCC1	308767782	RRIGDDIVLLTNOD-UHFFFAOYSA-N	247.426	4.603	0	10	BJAE	
CC(C)(C)CCCCC[C@H](N)c1ccccc1	309986623	WKYWNEMWHJLGMB-HNNXBMFYSA-N	233.399	4.683	0	10	BJAE	
CC1(C)CCC(CC(=O)C2CCCCC2)CC1	310473152	BZMIGTDQTWKYPZ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@@]1(CNCCC)CCC[C@H]1C	317464693	YKWPQVOMZFEVRP-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CC(C)NCC[C@@H](C)CC/C=C/c1ccccc1	324216902	YICDBIKXCUDSPC-RCLKMUNOSA-N	245.410	4.504	0	10	BJAE	
CCC[C@@H](NCCCCCC(C)C)C1CCC1	324926880	TVBJBQJDRPKLBZ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C/C(=C\CCNCC(C)C)C[C@@H](C)CC(C)C	379626916	HIULOSIMQMCRTJ-AHQMPEJBSA-N	239.447	4.641	0	10	BJAE	
CCN[C@@H](C[C@@H](C)c1ccccc1)C(C)(C)CC	385082720	FKGYHOPHRPCBKP-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
CC(C)c1ccccc1NC[C@@]1(C)CCCS1	393001827	LJCSOIFQPMOHLY-OAHLLOKOSA-N	249.423	4.508	0	10	BJAE	
CC[C@@H](C)CCNc1ccccc1C(C)(C)C	394448128	KBBFSICADOHQHZ-CYBMUJFWSA-N	233.399	4.832	0	10	BJAE	
CSc1cc(C(F)F)cc2c(F)csc12	396251193	RCLRVXCPWWQANV-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
C[C@@H](C(=O)c1cccc2ccsc12)C(C)(C)C	399107250	AVVDKYLUAZDBOQ-JTQLQIEISA-N	246.375	4.766	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H](C)C(C)(C)C	399193165	WVBMLGUITGTEDQ-GFCCVEGCSA-N	232.367	4.675	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CCC(C)(C)C2CC2)C1	405979382	IMXMAUASHSYRFS-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cccc([C@]2(O)CCCCC[C@@H]2C)c1	688910832	CESHGTYICZQZEG-YOEHRIQHSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1CC12CCCCC2	691175433	JPWXKGFTOMUCGD-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1CC2(CCC2)C1	691901168	HKZUBBUOSGMGCT-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@]23CCCC[C@H]2C3)CC1	693196098	HNHUZNDXEOKCJS-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C1CCCC1)C1CCC2(CC1)CC2	695613154	IROBRZLOOSKQNK-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C[C@@H](C)C(C)(C)C	696568720	TYWMOMGDUCAZOM-OLZOCXBDSA-N	228.420	4.636	0	10	BJAE	
CCC(C)(C)CCNCC[C@H]1CCC[C@@H](C)C1	696783486	RPLVSPMDPYEHIU-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)C(C)(CC)CC	701231844	NOMARCLSBCLLBP-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@]1(C)CC1(C)C	702166534	RPFDPEHEQKWTGV-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@@H]1CCCC[C@@H]1C	704880222	VTWZHTFCAAYQCD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(CC1(C)CCCC1)C(C)(C)C	704887650	GHQOLNQMCLSCCI-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CC(CN[C@@H]2CCCCC23CCCC3)C1	706511385	JJYDJCVKZZSOIN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@](C)(O)C[C@H](C)CC(C)(C)C)cc1	709071219	NLICXQIRMLPJFY-RHSMWYFYSA-N	248.410	4.665	0	10	BJAE	
CC(C)C1CCC(N[C@H]2CCCC3(CC3)C2)CC1	709978938	NJHOOPYWRGWBNM-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C[C@@H](N)c1cc(C)cc(C)c1)C(C)(C)C	711120615	NCHSDXZEEQCJJR-JKSUJKDBSA-N	247.426	4.766	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1C[C@@H]2CCCC[C@@H]21	712408923	MEZASVLJXOGRDD-JYJNAYRXSA-N	243.394	4.548	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H](CC(C)(C)C(C)C)C1	713138513	CVVVXMUZFDPTJQ-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](N)(CC(C)(C)C(C)C)[C@H]1CC1(C)C	713177027	XJWWIRMNYPOAAG-XJKSGUPXSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C\CCc1cccc(C2CCC2)c1	713755404	YUPRQLYVSAMYLQ-ARJAWSKDSA-N	212.336	4.629	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)NCCCCC2CC2)c1	716400447	YUOJUYCLFAQYBD-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CCC[C@H](C)CC1(CNCC)CCC=CCC1	718061404	MJYROEVLEYEEKW-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1cc(C)ccc1C	718625790	QODAPTLSJKRQPH-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
C[C@H](C[C@@H](N)CCCC(C)(F)F)CC(C)(C)C	718720560	AJZGMNTUPZJUSH-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC2CC(C)(C)C2)CC1	723543842	AYIPRYZGCGHVGF-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C1CCC([C@@H](NCCCCC2CC2)C2CC2)CC1	724007631	JQSLYHUOKCUUNY-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCCC2CC=CC2)CC1	724178499	FBOOCEZBCGTXBE-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCC[C@H](C2CC2)C1	1206341700	BZAXEEQEGSSOGL-GOEBONIOSA-N	237.431	4.514	0	10	BJAE	
CCC1(C)CCC(N[C@@H](C)C(C)(C)CC)CC1	1462431685	YXTZAAIQMDYWAR-HLIUYOAVSA-N	239.447	4.760	0	10	BJAE	
CCCCCCP(=O)(C(C)C)C(C)C	1889480903	JOADUZBIKKNGNT-UHFFFAOYSA-N	218.321	4.747	0	10	BJAE	
CCC(C)=CCNc1ccc2sccc2c1	1900822082	AYZZXOUAIFDVJX-UHFFFAOYSA-N	231.364	4.670	0	10	BJAE	
Clc1cccc(Cl)c1C[C@H]1C=CCC1	1905144306	WGHQOSHGTYYURT-VIFPVBQESA-N	227.134	4.502	0	10	BJAE	
CCC[C@@H](CC)CCC[C@@H](CCC)NCC	1905449122	ZVGWEWZRYJXERE-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCN[C@@H](CCC=Cc1ccccc1)[C@H](C)CC	1911960624	HMJQJAGFFMYFLF-WBVHZDCISA-N	245.410	4.504	0	10	BJAE	
CCCNCC1(CCC)CC2(CCCCC2)C1	1912580404	CIFUKDXFWVCHIA-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H]2C=CCCCC2)C1	1925734785	BLANORBVAURUKZ-WLYUNCDWSA-N	234.383	4.518	0	10	BJAE	
Cc1ccc2ccn(C[C@@H]3C=CCCCC3)c2c1	1925790426	BDACJKTYEXHQSE-OAHLLOKOSA-N	239.362	4.696	0	10	BJAE	
CCC(CC)C[C@H](O)c1cccc(C2(C)CC2)c1	1926393577	QJGOMEFFNSNCCI-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CCc1c(C(C)=C(F)F)oc2ccccc12	1927576240	UCEITTZYCYCMDX-UHFFFAOYSA-N	222.234	4.623	0	10	BJAE	
CCCC(CCC)[C@H](O)c1csc(Cl)c1	1933600889	VFEQBCZOEXAYSS-LBPRGKRZSA-N	246.803	4.651	0	10	BJAE	
CCC[C@@H](C(=O)CC1(C)CCCC1)C(C)C	1936206726	JNLVSPOEPYGUTM-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)C(C(C)C)C(C)C	1940243045	JJXBUWNEMUBXPA-INIZCTEOSA-N	241.463	4.848	0	10	BJAE	
CCC(C)(C)CCC(=O)C1(C)C(C)(C)C1(C)C	1940285239	QODLVSPQHFHYSY-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](C)c2ccc(N)cc2)C1	1940965899	IOMVUEKACYUUMR-GZBFAFLISA-N	231.383	4.589	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943044532	WBHGQNTTXFCPBA-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C)CCC(C)(C)C1CCCCC1	1946194991	URNAMLLXLLLUEA-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CC2(C)CCCC2)C1	1948979159	HFAXOGZEHGMRAQ-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@@H]1CC[C@@H](C)C1	1949530058	LVRPLDRSAJPIJL-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C=C1CCC[C@@H](CCN)C1)CC	1950487546	YYHCRWKRQSGKBX-CABCVRRESA-N	237.431	4.668	0	10	BJAE	
CC1(C)CCC(CO)(CC2(C)CCCC2)CC1	1950917932	PSLONYJUILRYJU-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
C1CCC(CCCN[C@H]2CCCCC23CCC3)C1	1966434625	PABJGXWFAJZSHO-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)C2CC3(CCC3)C2)c1	1968307398	JNJVURKZWZJMEM-AWEZNQCLSA-N	243.394	4.684	0	10	BJAE	
Cc1cc(NCC[C@@H]2CCC[C@H](C)C2)ccc1F	1968591794	NSYWDJBDKGPPJJ-JSGCOSHPSA-N	249.373	4.762	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)CCC1CC1	1975841334	DSMQXUVKKHBADC-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC1CCC(CNc2cscc2C)CC1	1980209614	DDJCQUSFTDPYFZ-UHFFFAOYSA-N	237.412	4.685	0	10	BJAE	
CCC(CC)CC1(N)CCC(C)(CC)CC1	1981060318	HURAFZHRKXHASK-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCC(=O)C1(C)CCC(C)(C)CC1	1983313640	DGHMSQVTWZTVER-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC1CCCC1	1995213879	HNRGHAZKGSBCGE-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)C1CCC(C)CC1	1996561855	PSOMIMMHGBCRQD-BHDPWAOGSA-N	239.447	4.760	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H]1CC[C@@H](C)C1)NCC	1996613140	OLDWXZYHYRPTGN-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CCCC2CC2)CC1	1997105788	PJBZNIWKQRTUJG-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
Cc1csc([C@H](N)C[C@@H]2CCC=CCCC2)c1	1999994155	RLPZONUGQOZOFM-ZIAGYGMSSA-N	249.423	4.583	0	10	BJAE	
CCN[C@H](CCCC(C)C)CCC(C)=C(C)C	2000314679	FLLNTQGWWCEURO-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@H]1CC=CCC1	2000318217	ZSZNOJWGQKHXPY-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@@H]1CCC[C@@H](C)C1	2000517381	CLLOIELSUJNZEI-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CC1CCC(CC2(CO)CCCCCC2)CC1	2000656986	WGEUVGPGWHWELH-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@H]1CC12CCCC2	2001214923	GPQYHABOTSLLNT-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(=O)CC(C)(C)C[C@]1(C)CCCCC1(F)F	2002579918	PKBNWOFMVLVNKM-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CC1(C[C@H](O)[C@H]2CC[C@H](C)CC2)CCCCC1	2003103247	IHYCOLBDJMDEOR-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)CNc1cccc(F)c1C	2004706546	OJNVWTVMROSPPI-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CCC[C@@]1(CNCC(C)C)CCCCC1(C)C	2005586639	PGDOKUFRXRNTGD-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
C/C=C/CCCC(=O)c1ccc2sccc2c1	2009570699	CYCLZLGCUYRHPR-NSCUHMNNSA-N	244.359	4.830	0	10	BJAE	
CC1(CC[C@H]2CCCCCCCCC2=O)CC1	2009606488	TWSPSAAULLMNQR-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
C/C=C/CCC[C@@H](CCCC1CC1)NCCC	2009616746	LQZUBXCMDFWCQP-WMHVBEDNSA-N	237.431	4.681	0	10	BJAE	
C=C=CC[C@H](C[C@H](C)CC(C)(C)C)NCCC	2009744656	OAOSCQUWNXICQH-LSDHHAIUSA-N	237.431	4.548	0	10	BJAE	
CCCCCC1CC(N)(CCC2CCCC2)C1	2009790876	DRJNEATVRNMCNR-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC(CCC)[C@@H](NC)C1=CC[C@H](C)CC1	2010623688	JDRJYLZYFVRUOE-XJKSGUPXSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H]1CCCCCC12CC2	2011271254	IDRGPACBKBGUAQ-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC=CCCC[C@@]1(CNC(C)C)CCC1(C)C	2014845230	CVOHNRBSLCWAHA-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)C1(C(C)(C)C)CCC1	2017132716	IOOWEPKLUYYVCF-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
C/C=C/CCC[C@@H](O)[C@H]1CC[C@H](CCC)CC1	2017659084	RMROOVMLBGUBOF-LEACJKDESA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C[C@H]2CC[C@H](C)CC2)C1	2017722710	RDRGVANJXIEQEF-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)NC1CCC2(CC1)CC2	2018138977	MYAZSFJRLYLKIL-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCCCCC[C@@H]1CCNC2(CCCCC2)C1	2018645850	PNYIITSKXNAABH-OAHLLOKOSA-N	237.431	4.659	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)[C@H](C)CC(C)(C)C	2019000895	SXFGBIOHUYEWNJ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CC1(CC)CC1)NCC	2019008568	PCDQOLVVCHVQJY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CN(C1CCCCCC1)[C@@H]1C=CCCCCC1	2019123550	GSMFIJHSBUMSMQ-OAHLLOKOSA-N	235.415	4.530	0	10	BJAE	
CC(C)C[C@H](C)N(C)[C@H]1CCCC(C)(C)CC1	2019300888	YANHQMOLTUIXDQ-GJZGRUSLSA-N	239.447	4.712	0	10	BJAE	
CC(C)CCC(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2022555220	VOVKBPWYNRNUOL-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@H]1C[C@@H]1C(C)(C)C	2022565244	KEYYOMRJWSQTGL-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H]1C[C@@H]1CCC	2022567666	IHNCKLWRZZXPHM-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1CC=C1CCC1	2023204313	IJMSOGOVIQMEQL-OAHLLOKOSA-N	234.383	4.807	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)CC=C(C)C	2023326912	HDEYOABVPNEAPH-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CC1CCC(C(=O)CCCCC(C)(F)F)CC1	2023330134	BJKPJNYCCPIUJA-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC(C)[C@H]1CC[C@@](O)(CC2(C)CCCCC2)C1	2025571268	UCIWKVZZRPGILW-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C(C)(C)C1(C)[C@H](N)C1=CCCCCCC1	2027155907	PXSNHBOBFMQPGB-CQSZACIVSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccccc1C[C@H]1CCCCC(=O)C1	2027498433	GAPRBUYHNNBUQX-CQSZACIVSA-N	244.378	4.502	0	10	BJAE	
CC1(CC[C@@H](N)c2ccc(C3CCC3)cc2)CC1	2027737055	QDVFRNWTONCSFW-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)c1cc(C)ccc1C	2027737061	QDVKWUPJMHQISI-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)NC[C@]1(C2CCCCC2)CC=CC[C@@H]1C	2027921202	UPXUKTRJLXXNBU-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@@H]3CC[C@H]32)cc1	2027990933	KPEXMWFZARZLJN-APHBMKBZSA-N	243.394	4.585	0	10	BJAE	
CCCCCC[C@@]1(C)Nc2cc(CC)ccc2O1	2027999618	QNIUNQNLPKNKPM-INIZCTEOSA-N	247.382	4.740	0	10	BJAE	
CCCc1ccccc1[C@@H](O)[C@@H](CCC)C(C)C	2028232733	PNADYADNDIFJLV-RDJZCZTQSA-N	248.410	4.745	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)c1cccc(C2CC2)c1	2028551158	CJFIUYHZDXHVMA-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C[C@@H]1CCCCCC1=O	2029173782	IVUDOSCHCBCQJA-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
C1=C[C@H](N[C@@]23CCCC[C@@H]2CCC3)CCCCC1	2031807165	CFXMPKGUEJLDQB-IXDOHACOSA-N	247.426	4.578	0	10	BJAE	
O=C(CC(C1CC1)C1CC1)C1CCCCCCC1	2032154749	NQMTXCLFUNEAIY-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C[C@H]1CC=CCC1)C(C)(C)C1CCCC1	2032293766	RCDITLGQWYCBOE-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C(C)(C)C(C)C)cc1	2032305059	CWVKDHQBZWFXMY-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CCC(C)(C)C2)c(C)c1	2033383522	CYNWQTVLWWXTMJ-CQSZACIVSA-N	244.378	4.621	0	10	BJAE	
CC1(CCCN[C@@H]2CCCC3(CCCC3)C2)CC1	2034360681	BLLWJMLNIJBVEB-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2C=CCCC2)CCCC1	2035553616	CQKHYKDKKFYMCG-OAHLLOKOSA-N	248.410	4.908	0	10	BJAE	
CCCCc1ccc(NC[C@@H]2C=CCCC2)cc1	2035602239	VNVGORDNUGERLX-MRXNPFEDSA-N	243.394	4.797	0	10	BJAE	
NC1(C2CC3(CCC3)C2)CCCCCCCCC1	2037128900	YCKHXDOKPZMBQE-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C1CC2(CCC2)C1	2037134040	NVZASVMVNKKDPW-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCCC1([C@H](N)c2cccc(C3CC3)c2)CCC1	2037203668	KLKKNKZKCFGTEN-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC1(C)CC(N[C@@H]2C=CCCCC2)CC(C)(C)C1	2039033722	YSAPZECSBUKBLU-CQSZACIVSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C1CC2(C1)CC(C)(C)C2	2039424634	SIKPGGDDLMSZSE-OCCSQVGLSA-N	248.410	4.598	0	10	BJAE	
CCCCCCC(=O)C1CC2(C1)CC1(CCC1)C2	2039425005	YDONFWAYKIDECL-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)C2(C)CCCCC2)o1	2039861617	HCLTXTAFZYIHTE-ZIAGYGMSSA-N	249.398	4.598	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)C1(C)CCCCC1	2039862493	OILNVBRBNLJYGR-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2CC[C@@H](C)C2)C=CCCC1	2040182595	REVOZJKWWKIZRH-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NCC1(CC[C@H]2CC2(C)C)CC=CC1	2042088375	DRGCBFXTJKIIRO-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC1CCC1)c1cc(C)c(C)o1	2042743633	YJWZPXOMMQHKRP-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)CC2=CCCCC2)o1	2043189821	DRKIEJSULMLXJA-TZMCWYRMSA-N	247.382	4.518	0	10	BJAE	
Cc1cc(F)cc(NC[C@@H]2CCC=CCCC2)c1	2045329428	NVIIOCUPFRVSMR-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
Cc1oc(C)c(C(=O)[C@@H]2CCCC(C)(C)C2)c1C	2045460514	PNKCLQJXXYESSP-CYBMUJFWSA-N	248.366	4.604	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CC(C)=C[C@H](C)C2)CC1	2045560420	NSTQNMHNRXSZOE-HOJRLLLISA-N	248.410	4.764	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C[C@@H]2CC23CCCCC3)C1	2047014531	CDTAJXLAAFJFGB-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)[C@H]2CCC[C@@H](C)C2)c1	2049536492	LXCXIPLZJRFYGC-WQVCFCJDSA-N	245.410	4.930	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2CCC3(CC3)C2)C1	2049863152	GUIAQFCWUATCBU-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)C[C@H]1CCCC2(CC2)C1	2049941693	ZJDGYMXUWIMANU-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](C)NC[C@]2(C)C=CCC2)CC1	2049978158	BPWSWAQTKJIAFS-ZGRYLRDCSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1[C@@H](O)CCCC[C@@H]1CC1(C)C	2050439922	DJSCHIVBVGRUFF-ZBFHGGJFSA-N	246.394	4.635	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@@H](O)c1ccc(C)cc1	2050442552	WYTGHQDFJWUOSB-HYVNUMGLSA-N	246.394	4.635	0	10	BJAE	
CCN[C@@H](CCCCCCC1CC1)c1ccco1	2050525760	RLAJDIPHILADGT-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
CCCC(CCC)CNc1cccc(OCC)c1	2052173455	VIRJLVHAKCDTNB-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CCCC(CCC)[C@H]1Nc2cc(C)cc(C)c2O1	2052184550	BMXOSVZRQDNYRW-INIZCTEOSA-N	247.382	4.650	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC2CC2)CCCCC12CCC2	2053352996	YKECIKYTGZJDDB-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NC[C@]1(CC2CCC2)CCCC12CC2	2053360434	VGZLGOMJRCTCGT-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@@H](N)CC1CCC=CCC1	2056449708	JLRKQNAAIUKVDO-ULQDDVLXSA-N	249.442	4.523	0	10	BJAE	
CCC1CC(C[C@@]2(N)CCC3(CCCCC3)C2)C1	2056639469	GYQGVCXKDCACFV-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](O)(C=C2CCCCC2)C1	2056855551	JPSBCORMFKHXPJ-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@@H]1CCCCC12CC2	2059172864	PFYVDFCIVWQBKV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)CC[C@]12CCC[C@@H]1C2	2061618174	TUMVCJQWDLHXCQ-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](N)CC2CC(=C3CCC3)C2)CCCC1	2061736182	CTJNZWDRPLQZDH-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CCCCCC[C@H](C)Nc1cc(O)c(C)cc1C	2065468898	NDMIBMVMUUIBFL-AWEZNQCLSA-N	249.398	4.780	0	10	BJAE	
CCCC1(CN2CCCCC3(CCC3)C2)CCC1	2069267533	CFGRMUHPEDIEJI-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCC1(CC2(N)CC3(CCCCC3)C2)CCC1	2069341581	GVIDLLDGOXXEKZ-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCC1(CC2CCC2)CC1	2069587578	STBPXCKLEAMRKJ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2CCCC23CCC3)CCC1	2071912500	GMBMRHRWYIFBTN-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1(CNCC[C@H]2CC=CCC2)CCC1	2071948981	KMJLZQKVOGMTPK-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(N)CC(C3CCC3)C2)CC1	2072805933	HEHXRHZJDJCYIF-RBAWDMFTSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1C(=O)CC1(CCC)CC1	2074592025	YGTKYSBORVZZQV-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCCC1(C[C@]2(CN)CCCCC23CCC3)CC1	2074622839	AYCJXYTVITVKEO-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
CCCC1(C[C@@]2(CNC)CCCC23CCC3)CC1	2074624142	OJTDWSNSILSQSO-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CCCCC[C@H]1N(C)CCC1=CCCCC1	2075149074	USFGBRZVCRKCHM-DOTOQJQBSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CC23CCCCC3)C1=O	2076450052	KFERYIZZJCUOHE-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1C[C@H]2CCCC[C@@H]21	2077188962	CJTQFUPAAVGFSO-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1C[C@H]1C1CCCC1	2079800593	AATIFXROHBQBLC-CVEARBPZSA-N	244.378	4.509	0	10	BJAE	
O=C(CCC1CCCC1)C[C@@H]1C[C@H]1C1CCCC1	2079863556	KPOMNZREZQCBJK-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](CC(=O)CC1C2(CC2)C12CC2)C(C)(C)C	2083523910	UROXBOJDYWCMTI-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)c1cccc(C(C)(C)C)c1	2083540893	DPWVFSHEGDXSQH-KRWDZBQOSA-N	247.426	4.594	0	10	BJAE	
CCCCC[C@H](CC1C2(CCC2)C12CCC2)NC	2083563408	AUNBDCDHEULEMN-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCC)c1ccccc1	2086048893	ZDOTUBGZKWFDNB-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
CCC1=CCC[C@]1(O)CCCCCCC1CC1	2213576707	TXECSQZVUWGZDN-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@H](CCCCCCC2CC2)[C@H](O)C1	2213579370	FAFVBPUMEYJWNK-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCC(C)C)[C@@]1(C)CC=C(C)CC1	2215814840	RPRTZQNKHYZLEE-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)CCN[C@@H]1CCC[C@H](C(C)(C)C)C1	2216252310	JJDYBMGDIVBIIU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC1(C)C)C(C)(C)CCC	2216283445	RSFKDWPNBUFMPC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
OCC1(CCCCCCCCC2CC2)CCC1	2216878645	WDLLHVIXPRHATE-UHFFFAOYSA-N	238.415	4.680	0	10	BJAE	
CCC[C@H](C)[C@@]1(CN[C@@H](C)CC)C=CCCC1	2217154381	TZCLSMFROORCKF-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCCC1	2218337836	ZPPIOOMIYXDYFF-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H](N)C2C[C@H]3CCC[C@H](C2)C3)CC1	2218345067	BLTUEOUHQBNCPP-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218378138	OFJNQXOMTZCKCE-SDADXPQNSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C(=O)CCC[C@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218379019	YLQARZTXPASVPN-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CCC[C@@H]2C[C@H]21	2218728780	VWBMBVWCBWGYAC-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C[C@@H]1CC[C@H]1C	2220633889	OAFMSLRNWAZRLA-KGLIPLIRSA-N	244.378	4.504	0	10	BJAE	
CC(C)c1cc(N[C@]2(C)CCC(C)(C)C2)ccn1	2220887362	HSABJBVVOLLUBN-MRXNPFEDSA-N	246.398	4.586	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCC1(C)CC2(CCC2)C1	2220939393	MYBZRHGFJLRGPI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@](C)(N)c1csc(C)c1C	2242645288	TUMBMXWOWCSPNO-CQSZACIVSA-N	239.428	4.509	0	10	BJAE	
Cc1scc(CC=Cc2ccccc2)c1C	2242645519	WNCUXADAWIHHTP-UHFFFAOYSA-N	228.360	4.621	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@H](CC)CCC	2244786067	YVKVWEDURAOAST-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](C)CCCN	2244837844	QUVWHWMCDFDSSG-HUUCEWRRSA-N	227.436	4.604	0	10	BJAE	
CCCC(C)(C)[C@H](CC1(C)CC(C)C1)NCC	2246526731	UTZLCYHBGACZDR-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC(C)C)CC1(C)CC(C)C1	2246538804	FWFYBZPJEXFWTC-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H]1CCc2cccc(C)c2N1	2246636911	PEVOKPHHIRVKME-HNNXBMFYSA-N	231.383	4.692	0	10	BJAE	
CCC(CC)CC(=O)CC[C@H]1CCC[C@@H](C)C1	2246659157	GOTKHXHGRQQFTJ-UKRRQHHQSA-N	238.415	4.988	0	10	BJAE	
C1=C[C@@H](Cc2cc3cccnc3s2)CCCC1	2246920209	UARYOVLRAPOABA-GFCCVEGCSA-N	243.375	4.585	0	10	BJAE	
CC(C)(C)CCNc1cccc(C(C)(C)C)c1	2249294962	MWHDDUZQKMCRNI-UHFFFAOYSA-N	233.399	4.832	0	10	BJAE	
CC(C)(C)c1cccc(NCCCC2CC2)c1	2249296188	HIFVNEZNLSMMPQ-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C(F)F)[C@H](C)CC	2250112401	NZMGJHZKJSELCE-AGIUHOORSA-N	249.389	4.615	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H]1CCC1(C)C)NCC	2250355960	CVZPUIRMFQFLGG-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H]1C=CCCCC1)NC	2250367508	AFAOERXVOUROMQ-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@@H](C)[C@H]1N	2250482099	RMVAGAHOFOXZLA-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccc2ccsc2c1	2253066281	XGLLINAUHDGCCG-IAQYHMDHSA-N	247.407	4.727	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1ccc2ccsc2c1	2253129633	NGNMNFHZSBDXBG-AAEUAGOBSA-N	244.359	4.520	0	10	BJAE	
O=C(CCC[C@@H]1CCCCC12CC2)C1CCCC1	2253882736	ZKUMUVIDWICPNT-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)C[C@H]3CCCC[C@@H]32)C1	2253932584	UYONACZTPVZHJA-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)C[C@@H]1CCC12CCC2	2255019925	WETRBYPGSQRVPP-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CN(CC1(C(C)(C)C)CCC1)C1CCC=CCC1	2257940747	RDGMZUACVQHBMH-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)c1ccc(C(C)C)cc1	2259441284	JUYLURMLLKBJOA-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
CC=CCCC[C@H](NCC)C1CC2(CC(C)C2)C1	2259513814	FEVRFCYYQQWPQB-PYCMUAIMSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@]12CCCC[C@@H]1CC2	2260485318	DMXIRBSJILNKER-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(NC[C@@]23CCC[C@@H]2CC3)c1	2260593052	UNKRFORCWFPFIY-WBVHZDCISA-N	243.394	4.802	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@@]12CCC[C@@H]1CC2	2260615491	ZDJFIFZOJYIJKL-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NCC1(C[C@@]23CCC[C@H]2CC3)CCC1	2260652354	QXNDAPIHTVZIBR-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@@H](O)c1cccc(C2CCCC2)c1	2260729604	FHQGBNAKDNRVHF-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1CCNc2ccc(F)cc21	2261338845	MKHHKCCBRONAKK-QWHCGFSZSA-N	249.373	4.797	0	10	BJAE	
CCC(CC)CCN(C)[C@H](C)C1(C)CCCC1	2300704873	XIWPUUVOTBHEHS-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CC(=CC[C@@H]1C[C@@H](C)C[C@H]1O)CCCC(C)C	2300862640	GQMGLWVQWVFBIH-BZUAXINKSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1CC[C@@H](C)C1	2300881574	SUTKPMWAJHFTGZ-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CCC[C@H]1C	2301908671	VDFSFVCFAPVZBJ-RISCZKNCSA-N	235.346	4.550	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CCC[C@@H]1C[C@H]1C	2302612972	LHVPNIIKKVULSU-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C[C@H]1CCC(C)(C)C1	2302902214	NPHCWWKCQUITSG-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCC[C@@H]2C[C@H]12	2302989012	TVQUBTZBFZQWKZ-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CC1=C(C)C[C@H](COc2ccc(C)cc2)CC1	2303532540	QFINTBMLIJNGTM-OAHLLOKOSA-N	230.351	4.510	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1C[C@@H]1CCC(C)=C(C)C1	2303599902	AQMXPEZTKLTUFL-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CC=CCCC[C@H](O)c1cccc(C(C)C)c1	2303716862	CZCCINXNGFQMOQ-INIZCTEOSA-N	232.367	4.590	0	10	BJAE	
CCCCCC(CCCCC)N[C@H]1C[C@@H](F)C1	2307324657	PJJIMKGEMLPFCS-OTVXOJSOSA-N	243.410	4.606	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)c1cc(C)ccc1C(C)C	2307511936	FGKPBZBMMUPBGN-CZUORRHYSA-N	234.383	4.588	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCCC12CCC2	2307756098	KRHPFOBFNJVLLW-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CC1CCCC1)NCC	2307905717	YWNSKDFFCBWBTR-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCCCC1(C)C	2307925862	KNPRQRHKQANJRD-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
C=CC=CCC[C@@H](NC)[C@@]1(C)CC[C@@H](C)C1(C)C	2308079309	LJQAVSLIKIZMEB-BFYDXBDKSA-N	249.442	4.559	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@@H]1C[C@H]1C1CC1	2311472056	YXCVNHCCNXBOBY-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](C[C@@]23CCC[C@@H]2CC3)C1	2313345475	BQYGWSVDRPHNQR-MPTYRVRUSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(C(=O)[C@@H]2CCC[C@H](C)C2)ccc1C	2314701288	AZYBOXGIRBDIFA-SWLSCSKDSA-N	244.378	4.566	0	10	BJAE	
CCC(C)=CCNC[C@H]1C[C@H]1C1CCCCCC1	2316488356	HRMUJSAVXKYGQW-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CC(=CC[C@@H](N)[C@@H]1C[C@@H]1C1CC1)CCCC(C)C	2316565501	ZAMGGDPPDQZQSH-BRWVUGGUSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC=C[C@]1(N)CCCC1=CCCCC1	2318568996	OLCZKSXTDQBOTN-KRWDZBQOSA-N	247.426	4.731	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1[C@@H](N)CCCC1=CCCCC1	2318577161	VPJYNBXFWGQFDK-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1C[C@H]1CN(C)CCCC1=CCCCC1	2318578899	CQPMNRQCGXVWAP-IRXDYDNUSA-N	249.442	4.635	0	10	BJAE	
CCC1([C@@H](CCCC2=CCCCC2)NC)CCC1	2318593079	PRDAFRQTRHAWPV-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCNC3(CCCC3)C2)C1	2319321399	VHZLPWMINTXQDT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@@H]2CC[C@@H]2C2CC2)C1	2319735730	ZAEIQIBVKQJJHB-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CC(N)(CC[C@@H]2CC[C@@H]2C2CC2)C1	2319748120	GXBOJXYXOPXTFV-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)CC1	2320234903	YQACCXYHVROVHG-IHWGESPNSA-N	249.442	4.536	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C[C@H]2C[C@@H]2CC)cc1	2320330954	MVTIQNQZLOEZJP-WRFANHODSA-N	245.410	4.636	0	10	BJAE	
CCN[C@@H](C=C(C)C)c1cccc(C2CCC2)c1	2320658803	RJVGJNPQOSNEPG-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)C[C@]23CCC[C@@H]2C3)C1	2321608751	SBAACUGFBPNDPX-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@@H]2CCC2(C)C)c1	2327673212	MZNHBHURAVOASC-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@@H]2CCC2(C)C)c1	2327677151	FZECDYUFNUGXGE-HOTGVXAUSA-N	246.394	4.588	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1C[C@H](C)CC(C)(C)C1	35135635	QJVAEGMISDDVGF-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](CC)c1ccc([C@H](C)CC)cc1	35580575	ZQCBKIQSPJNNQC-CJNGLKHVSA-N	233.399	4.651	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)c1ccc(C)o1	50328686	TWSDQELTYMWTPO-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
C[C@@H](Nc1ccccc1Cl)c1ccsc1	50338108	FIBSYQIAMGXQKM-SECBINFHSA-N	237.755	4.575	0	10	BJAE	
CCN[C@H](c1ccc2ccccc2c1)C(C)(C)C	54441171	KSKXHJXZMFYTCH-MRXNPFEDSA-N	241.378	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCCCC[C@@H]1N	71084074	AXNQMGJJBLEEFD-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC(C)C)NCC	71085239	GTDKWUDUJREWES-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Nc1cccc(Cl)c1Cl	83390098	JRQHGHGACWRAMK-SCZZXKLOSA-N	244.165	4.594	0	10	BJAE	
CSc1cccc(NC2C[C@H](C)C[C@@H](C)C2)c1	84461861	RNMIIFBKQRNXFT-VXGBXAGGSA-N	249.423	4.645	0	10	BJAE	
CCC[C@H](CCC1CCC(CC)CC1)NCC	85082869	RQLSISMNKWKFPW-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)C1CCC(CC)CC1	85083053	KKGKFGHUUVBRMP-WXLSXGNJSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](NCC2(C)CCCC2)CC1	86909195	OQKNUWMJHRFIRW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@]1(O)CCCC[C@@H]1c1ccccc1	87164365	LQCFRBYJPLYLCQ-SJORKVTESA-N	246.394	4.656	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)C1CCC(C)(C)CC1	87943141	RZYDPGYGHQVTDR-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCCC)[C@@H]1C[C@@H]1C	88054436	FMABYILNUVOYGH-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCC(=O)c1cc2cccc(C(C)C)c2o1	88071809	WPILZACUCXSMND-UHFFFAOYSA-N	230.307	4.539	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccoc1	94867849	AHZGPYOVCHDRCD-VHDGCEQUSA-N	249.398	4.535	0	10	BJAE	
Cc1ccc2oc([C@H](N)CCC(C)(C)C)cc2c1	97072502	AVUWYYHVWIJLQG-CYBMUJFWSA-N	245.366	4.567	0	10	BJAE	
CCCC[C@@H](CC)C[C@](O)(CC)c1ccccc1	103946046	QQJUDDBKHZFYPZ-NVXWUHKLSA-N	248.410	4.891	0	10	BJAE	
CCCNCC1(C[C@H](C)CCC)CCCCC1	104002330	XWJLWTXZYIHFMD-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCc1oc2ccccc2c1C(=O)CC(C)(C)C	104012103	XWVDAGDPKDAGSV-UHFFFAOYSA-N	244.334	4.614	0	10	BJAE	
CCC[C@@H](CC)N[C@H](CC(C)C)c1ccccc1	109944816	WCSAYJQZXLHDSX-IAGOWNOFSA-N	247.426	4.942	0	10	BJAE	
CCCCCC[C@H](C)Nc1nc2ccccc2o1	110383756	FVYOPOJHFSALLQ-LBPRGKRZSA-N	246.354	4.599	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CCCC[C@@H]2CC)cc1	111745913	WWSWKIBXLBTFDJ-HOCLYGCPSA-N	244.378	4.648	0	10	BJAE	
CCc1cccc(NCCC2CCCCC2)c1	125026658	HHKAWWPOEMXVSK-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCCC(CCC)[C@@H](O)C1CCC(CC)CC1	125501229	HMYXNHSJNYFQBP-AVVWSFFYSA-N	240.431	4.780	0	10	BJAE	
CCCCC(=O)CC1=CC[C@@H](C(C)C)CC1	141982250	ALAVMHCXEQCTHA-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
Cc1cccc(C/C=C/c2ccccc2)c1C	149473951	RNBFIYXQBDPMTM-YRNVUSSQSA-N	222.331	4.559	0	10	BJAE	
CC(C)(C)CC[C@H](CNC(C)(C)C)C(C)(C)C	162405838	VQEDWMKTHUFBCF-CYBMUJFWSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](CCC(C)(C)C)NC	163375405	ZJAYMVYERSDHKX-HOTGVXAUSA-N	247.426	4.595	0	10	BJAE	
CC(C)CCC[C@@H](O)c1cccc2ccccc12	165599419	BXIJAMJHEOKNDP-QGZVFWFLSA-N	242.362	4.700	0	10	BJAE	
CCCCCC(=O)c1cccc(Cl)c1Cl	166867411	DXWPBTDDGGCTFA-UHFFFAOYSA-N	245.149	4.756	0	10	BJAE	
CCc1oc2ccccc2c1C(=O)C[C@H](C)CC	167193562	KJYYEHYOVUYUJN-LLVKDONJSA-N	244.334	4.614	0	10	BJAE	
C[C@@H](C[C@@H](O)C1=CCCCCC1)CC(C)(C)C	203412219	GRNZSUUGWBZWHH-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)CC1CCCCC1	226821972	PTMIDMPRMAIZQL-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](c2c[nH]c3c(F)cc(F)cc23)C1	235358158	MLFCYSGONXRQBD-ZJUUUORDSA-N	249.304	4.740	0	10	BJAE	
CCC(CC)C[C@]1(N)C[C@@H](C)CC[C@H]1C(C)C	250381460	DZHBLJPPCKLRLF-CWRNSKLLSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC[C@H]1CNC(C)C	251304660	IBZZPRJEUVJOGS-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)Nc1cccc(C)c1Cl	300953636	ZYUZCMYQNJWPPN-NSHDSACASA-N	225.763	4.639	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)c1sccc1Cl	301015216	ZMCSIYCRFUVOLS-KOLCDFICSA-N	246.803	4.507	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cc(OC)ccc1C	302304999	MWHSRDQYYUXGRA-TZMCWYRMSA-N	249.398	4.630	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CC[C@H]1CNC(C)(C)C	305949411	UGCGPRJTWDZARM-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCOc1cc2c(Cl)ccc(Cl)c2s1	307096936	DYDUDADVDGVEJC-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)[C@@H](CC)CC(C)C	308053922	AOQKAZFTDBPVEB-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
Cc1cc(C(=O)[C@H](C)CC(C)C)ccc1Cl	309152236	SYVWBDOXBYHKJR-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CCC[C@@H](C)C1	309454757	PIWMJDIJBACJJX-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC(C)C)C1(C)CCCC1	310251516	OCHLDUXCICMKGU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CC(=O)C2CCCCCC2)CC1	310478498	DECNOEWQVBDLIL-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](N[C@@H](C1CCC1)C1CC1)C1CCCC1	313468810	MLHKZVJTIDQLAI-IRXDYDNUSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1ccc2sccc2c1	318711539	FXBWUAPWCKYJLW-FIXISWKDSA-N	248.391	4.617	0	10	BJAE	
CCC[C@H](N[C@H](CC)C1CCC1)c1ccccc1	322345003	DEQGFBOPMGLRAK-SJORKVTESA-N	245.410	4.696	0	10	BJAE	
CCC[C@@H](NC1CCC2(CCCC2)CC1)C1CC1	324000814	NBQALUJPDIHMIS-MRXNPFEDSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H](C)C2CCC2)cc1	382157656	IRXKLFFRJGGLAD-QWHCGFSZSA-N	231.383	4.801	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1cccc2c1CCCC2	384685957	BOJKQAIWARGDON-ZDUSSCGKSA-N	245.410	4.802	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2CCC[C@@H]2C)n1	384969154	IEWAEBBRPCLTBQ-WDEREUQCSA-N	237.412	4.734	0	10	BJAE	
CC(C)CC[C@H](C)Nc1cccc(C(F)F)c1	386189864	PWBDOQGWPGLYNE-NSHDSACASA-N	241.325	4.861	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1cccc(C(F)F)c1	386247072	ZMWMTVBIQTYFLD-MFKMUULPSA-N	239.309	4.615	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccc(C(F)F)cc1	386347975	UEVOZXDWGPBISP-MFKMUULPSA-N	239.309	4.615	0	10	BJAE	
CC[C@@H](N[C@@H]1CC12CCCCC2)c1ccsc1	386981995	CBOVUPRJEHEOGI-ZIAGYGMSSA-N	249.423	4.512	0	10	BJAE	
Cc1cscc1NCC1CCC(C)(C)CC1	387091915	HDRHAOCGPBBKRT-UHFFFAOYSA-N	237.412	4.685	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@](C)(O)CCC(C)(C)C)C1	393956961	GWIRHFKUYQFQKK-NHIYQJMISA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCN[C@@H](c1ccccc1)C(C)(C)C	394031914	CXCQTGPPQKWIJM-INIZCTEOSA-N	247.426	4.800	0	10	BJAE	
CCC(/C=C(\CNC(C)C)C(C)C)(CC)CC	395132768	SHFXFCJGCQJFIX-RVDMUPIBSA-N	239.447	4.783	0	10	BJAE	
CCOc1c(C)cc(C(F)F)c2sccc12	396248048	QWHCTNFERKYZPQ-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1c(F)c(C(F)(F)F)cc2sccc12	396297718	LOVUEZFQBCPSTH-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H](C)C1CCC1)NCC	398746821	YYFAABBOSPTKMC-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(NC[C@@H](C)C2CCC2)cc1	398851670	NTYUNYGDPVYHLM-CYBMUJFWSA-N	231.383	4.658	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H](C)C(C)(C)C	399126070	OKVUIBUQNVNPTA-OLZOCXBDSA-N	226.404	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC(C2CC2)C2CC2)C1	400855124	YRGWYGDHWXGNIF-DOMZBBRYSA-N	248.410	4.598	0	10	BJAE	
CC(C)(CC[C@H](N)C(C)(C)C(C)(C)C)C1CC1	405795172	IEERFTSBCMHNMV-ZDUSSCGKSA-N	239.447	4.602	0	10	BJAE	
CCSc1ccc(C(=O)CCCC2CC2)cc1	406007039	PZNMDXNVLJOGMR-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC(=O)C[C@@H](C)CC1(c2ccccc2)CCCC1	686735762	VMRFVVJVBCLIBZ-CQSZACIVSA-N	244.378	4.504	0	10	BJAE	
CC(C)C[C@H](C)CNc1cccc(F)c1Cl	690266309	DAXCHOKRPUYBRI-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CC(C)CCC[C@@H](C)NC1CCC2(CC1)CC2	695997470	KWVPOZJODWYXNP-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC(C)(C)CC[C@@H]1CN	696805855	LGGBUXBKGBGTFS-ZIAGYGMSSA-N	239.447	4.604	0	10	BJAE	
CC(C)=CCCC[C@@H](C)c1ccccc1	698005102	ZWMLQZASGPRSLU-CQSZACIVSA-N	202.341	4.927	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCCC[C@@H]1C1CC1	704474752	SSBXYICBMPHFMR-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](O)C1CCCCCCC1	704895250	PLTQCCXDMFGIRD-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)CCCCC[C@@H]1C(C)C	707764736	CDMMQERLGBKSDT-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)C[C@@H](C)CC(C)(C)C	709070205	BKWSNCFIWHVPPC-DOMZBBRYSA-N	248.410	4.799	0	10	BJAE	
CCCN[C@H](C)[C@H](CCC(C)(C)CC)C(C)C	711294622	QFPIEHMHTADBEG-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C1CCCC(CN[C@H]2C[C@@H]3CCCC[C@@H]32)CCC1	712521364	KKGDNKWVYHBECP-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)CC(C)(C)C	713130975	DRHZVFGIUYUHLS-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC(C)(C)C(C)C)CC1	713145268	HPKAFCULOYNJLB-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
C/C=C\[C@H](NCCC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714434497	CZAVKNBFLXMWSW-ATQRINELSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@H]1C=CCCCCC1	717461109	DESCHOHAVCRRBR-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(CN)CCC=CCCC1	719036585	UWYXMQJILCHZGP-MRXNPFEDSA-N	237.431	4.524	0	10	BJAE	
c1ccc2c(NCCCCC3CC3)cccc2c1	720200498	BZHAUDFWRSSIJB-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
CCN[C@H](c1ccsc1C)C(C)(CC)CC	721736541	MBUTYIKBWATBTD-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2CC(C)(C)C2)c(C)c1	723588298	OYTHIFTUKRVDOS-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CC(C)CC[C@H]1CCC[C@H]1NCCC(C)(C)C	1654178739	IFLKPECWCVZEMU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CC1)n1ccc2ccc(Cl)cc21	1899434025	URDUKLBBSFQWRT-JTQLQIEISA-N	233.742	4.656	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC1CCCCCC1	1901063061	IDSISYAUIBOJLE-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
FC(F)C(F)(F)CCCCC1=CCCCC1	1901963330	YDUCJGFMFQNXCW-UHFFFAOYSA-N	238.268	4.948	0	10	BJAE	
CCCC[C@](C)(N)CC[C@@H]1CCC(C)(C)C1	1903422958	VCTQPKYHFRVMAN-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
Cc1sccc1OCCC(C(C)C)C(C)C	1904939023	NDQPFHJQZJMWON-UHFFFAOYSA-N	240.412	4.754	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC[C@@H](C)CC1	1905367613	ZBJIQODERGUFSG-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cc(C)c(C)s1	1905432103	OXSRPIGNOQXBBV-LBPRGKRZSA-N	238.396	4.764	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(N)CC3(CCCCC3)C2)C1	1912729288	SDPPKCPVIJJBDF-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC([C@@]2(CNC(C)(C)C)C=CCCC2)C1	1916595051	BKWYHOMNSXVIEF-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)CC1CCCCCC1	1921421045	WDTYIOIZSRWTOV-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H](C)C1CCCC1	1924103174	FPJHWXGERVMRIB-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(CC[C@@H]2C=CCCCC2)c1	1925813901	FMULDLVEFNRPJY-OAHLLOKOSA-N	214.352	4.674	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1ccsc1Cl	1927981179	WYFRWCZVUGMROI-MWLCHTKSSA-N	246.803	4.507	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1ccccc1C(C)C	1940616685	QPBBSMWNHOXNCD-WOSRLPQWSA-N	234.383	4.526	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)CCC2(C)CC2)CC1	1940794384	BWABUHHXUCTUDN-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(O)(CCC[C@@H]2CC2(C)C)CC1	1940871284	BFDCNFWKGUDXLT-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)[C@H]1CCC[C@@H](CC)C1	1941262676	IAFPEYOFGVWUID-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C(=O)c1cc(C)cc(C)c1)C(C)C	1941264516	RWBGDRIQGNTNGP-HNNXBMFYSA-N	232.367	4.558	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](O)(CCC2CCC2)C1	1941470043	KXMSOZZTQKXXMA-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@](C)(CC)CCCCCC1CC1	1941596003	LCSMPDKVNQUONO-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
C[C@@H]1CC(C(=O)CCCC2(C)CC2)C[C@@H](C)C1	1943040247	NLEWHSGKHKNNBO-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CC(C)(C)CC2(CC2)C1	1943081638	AMRULMOMCDAISD-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](O)C(C)(C)C1CCCCC1	1944619718	YQYIGTFZJXYTPP-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)c1csc2ccccc12	1945749275	ACBDVMGGJQZHJJ-LBPRGKRZSA-N	244.359	4.520	0	10	BJAE	
Clc1ccc(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)cc1	1946285742	KJMHNGVKIUWCPN-JJLQDPRZSA-N	249.785	4.721	0	10	BJAE	
CCC(C)(C)[C@@]1(O)CCCCCCCC1(F)F	1947526504	RWMCGRSGDSJRTH-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C[C@@H](O)C[C@@H]1C=CCCC1)C(C)(C)C	1947576228	MKXXUUUMMWJCLY-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CCC1CCC([C@@](C)(N)[C@H](C)CC(C)C)CC1	1948328517	UZWZCOWXZVDYEA-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@@H]1CCCC[C@H]1C	1948864706	PRUNEVDEYXXRBQ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@H](N)C2(C)CCCCCC2)CCCC1	1948983306	QQQMCVQKCDFLKB-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H]1c2ccccc2NC[C@@H]1C	1949091151	HWRWROBELXISID-WFGGJUAMSA-N	231.383	4.514	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](O)C2(C)CCCCCC2)C1	1949401514	DGMSVTZBZJCWLF-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](COc2ccccc2Cl)C1	1962980030	IGAVTXCSWMJPBI-LLVKDONJSA-N	238.758	4.545	0	10	BJAE	
CCCC[C@@H](CC)NCc1ccccc1C1CC1	1963238130	NJCHZZRBAKETHJ-MRXNPFEDSA-N	245.410	4.622	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@@H]1C1CC1)C1CCCC1	1967853498	QRPJANHTAIVVPB-IXDOHACOSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCCC12CCC2	1967864609	GRUGNUYVNFEVNV-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CCCCC1(C)C	1970081296	DHTDOTGECUZLRI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCCC1CC2(CCC2)C1	1973744217	NRVZVCQXROPSDU-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CCC1CCC1	1976922787	WEHISTPFTKNWGO-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](C)(CCCC)CNC1CC1	1978660336	VGOYQFQGQJBDJO-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@@H]1CCC(C)(C)CC[C@H]1N	1984461648	GHRRKQHWIGXURL-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@H](C)CC(C)C	1990123579	NFIWSGIPRDGKOQ-CABCVRRESA-N	227.436	4.569	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCCC(C)C	1995215445	VUOMTWYWOFXDEP-AWEZNQCLSA-N	226.404	4.988	0	10	BJAE	
CC(C)(C)c1coc2c1ccc1ccsc12	1995464777	VNNAKXWFCIFWDD-UHFFFAOYSA-N	230.332	4.945	0	10	BJAE	
CCc1cccc(CC)c1N[C@@H](C)CC(C)C	1995657709	ZJTZYELIDMFXAJ-ZDUSSCGKSA-N	233.399	4.658	0	10	BJAE	
CCC1(CC)CCCN1CC1(C)CCCCC1	1995770801	XZVOSXPYXKDFRN-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(O)C1(C)CCCCC1	1995992408	XYONIENRTWHKMF-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CC[C@H](C)C2)CC1	1996229097	DOUIXYFVMARRDX-FGZQJIAISA-N	236.399	4.598	0	10	BJAE	
CC[C@@](O)(CC[C@@H]1CC1(C)C)C1CCCCC1	1996551141	AFBPOTWPRCBPBD-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H](C)C1CCC1)NCC	1996612953	MLUUGUNKOZOPAN-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@]1(C)CCCC1(C)C	1997340622	HWILFRAVJJPYBY-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@]1(C)CCCCC1(C)C	1997430455	XUMZLPAAERADAL-HOCLYGCPSA-N	239.447	4.760	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)C[C@H]1CCC=CCCC1	2000005154	YMQPCQHSNLLWMW-LSDHHAIUSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCC1(O)CCC2(CCCCC2)CC1	2000280139	LKJCOJQZCZVZKB-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC1([C@H](CCC(C)(C)C)NCC)CCC1	2000377348	VTRJEPFPGJCIGZ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCCN(C[C@@H]1C=CCCCC1)[C@H](C)CC	2000906257	HWEMYBUTOZWRCW-HZPDHXFCSA-N	237.431	4.633	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@H]2CCCCCC[C@H]21	2001500896	FSMRLULCFAKKCI-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@]1(N)CCCCC12CCCCC2	2001572798	NUSOBEFDONBVBS-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1(C)CC1)NCCC	2002507321	MXGURZNCIBRRIG-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CCC1(N)CCCCCCCC1	2003100562	RFEHFXXKKDCXMO-UHFFFAOYSA-N	237.431	4.955	0	10	BJAE	
CCC1(C)CCC(O)(C[C@H]2CC[C@@H](C)C2)CC1	2004353963	UHZFDASTIJJENV-QVOMUQBLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCC2(C)CCCCCC2)C1	2004937067	JSJVPMRHVQZBDM-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)CC[C@@H]1CCC(C)C	2009408325	SPPGASBFVYBAAF-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CCC2(C)CC2)CC1	2009550866	CFCQHZRYKARWTL-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC=CCCC[C@@H](O)c1ccccc1C(C)C	2009587470	FMMHDVWMZVQBKN-MRXNPFEDSA-N	232.367	4.590	0	10	BJAE	
CC[C@@H](C(=O)CC1CC(=C2CCC2)C1)C(C)C	2011073710	MFWQCYTZFLDPNT-OAHLLOKOSA-N	234.383	4.518	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C1=CCCCCCC1	2013291836	NMKRCPZGIZTMML-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CN[C@H](CCCCC(C(C)C)C(C)C)C(C)C	2015344423	JZXPQLRGRYHCOB-MRXNPFEDSA-N	241.463	4.719	0	10	BJAE	
CC[C@H]1C(=O)CC[C@@H]1CCC(C(C)C)C(C)C	2015389887	CKKZTXFEEJGBKL-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(O)CCC=C(C)C)C1	2016149604	LBPSHAHTUSDIAP-OAGGEKHMSA-N	238.415	4.700	0	10	BJAE	
CC(C)C1(C[C@@]2(O)CCC[C@@H](C)CC2)CCC1	2017112943	TVVBZYJYOFGCLO-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NCC)C(C)=C(C)C	2017479116	YMRBYWBQWYGXMG-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CCC[C@@H](CC)N(C)C[C@@H]1CCC=CCCC1	2018181588	LPCIUBBEEVKYKA-HZPDHXFCSA-N	237.431	4.633	0	10	BJAE	
CCCC[C@H](CC)N(C)CCCCCC1CC1	2018182411	GNHKNRQMNBVYCB-INIZCTEOSA-N	239.447	4.857	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@H](CC2(CCC)CC2)C1	2018970421	PDJMNFWWJLEAKW-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCC1(CN(C)CCCCCC(C)C)CC1	2019345099	XHIORYASNRKALV-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC(C)[C@H](C)N(C)[C@H](C)[C@H]1CCCC(C)(C)C1	2019383963	FXSUYMCPSDXYSC-ZNMIVQPWSA-N	239.447	4.568	0	10	BJAE	
CCCN(CCCCCF)C1CCCCCC1	2020501764	NRXMCYMALYGZPY-UHFFFAOYSA-N	243.410	4.561	0	10	BJAE	
CC=C(CC)[C@@H](NC)c1ccc2sccc2c1	2020973553	GVAYNTKPWYQVBE-OAHLLOKOSA-N	245.391	4.518	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1C[C@H]1C1CCCCC1	2022434250	KRXHOCUAQKNGRU-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](CC(CC)CC)NCC	2022486699	OFLYQBAHKXRUCS-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CN[C@H]1CCC(C)(C)C[C@@H]1CCCC(C)(C)C	2024120512	WOIFKFGNWCTSEI-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](N(C)C[C@@H](C)CC(C)(C)C)C1	2025600218	KYPXABGURSMOQM-ZNMIVQPWSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@H]2CCCC23CC3)n1	2026528011	ZJKPBCBSIURGRH-DGCLKSJQSA-N	249.423	4.779	0	10	BJAE	
C[C@H](c1ccccc1)N(C)CC1(C)CCCCC1	2027276882	XDOZNLWAVSJBCL-OAHLLOKOSA-N	245.410	4.650	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)c1ccccc1C1CC1	2028602268	HHFNWDRPDYPZLG-WMLDXEAASA-N	245.410	4.636	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@H]1C[C@H]2CCCC[C@@H]21	2028873436	ZBCQFRQIESWLIF-OWCLPIDISA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)C[C@@H](O)c1ccc(C2CCCC2)cc1	2031747222	UYWUPWRWHJGTAT-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C[C@@H]2CC2(C)C)cc1	2032366812	WDCADORMRZDMQG-APHBMKBZSA-N	246.394	4.670	0	10	BJAE	
CC1(C)C[C@@H]1C1(CNC2CC2)CCCCCCC1	2033635595	QHOXLGZMOOEURD-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)CC[C@H]3CC[C@H]2C3)CC1	2035043495	KCCOZGACHSVXCJ-KMFMINBZSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)C1CCCCCCC1	2035601997	QTRCJPCLMFZCEA-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CC2(CC2)C1)C1(CC)CCCC1	2036755404	LWPISZQDVJEWMM-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CC[C@@]1(N)CCC[C@H](C2CC2)C1)C1CC1	2037162838	QZTLTXBSSFEXIY-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CCCC2(C)CC2)cc1C	2037178138	MDAYVGVMPLQOHA-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CC1CCC(C)CC1	2039434472	JMSFORJJQLKGBD-RAUKWFPGSA-N	249.442	4.523	0	10	BJAE	
CCCC(C)(C)C(=O)c1cccc(C2CCC2)c1	2040721354	LYUYFFLQHRIZJC-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCN[C@H](c1ccco1)[C@H]1CCC[C@H](CC)CC1	2041378606	FHAZAZZPSWIDOX-DZKIICNBSA-N	249.398	4.537	0	10	BJAE	
CN(CC1CCC=CCC1)[C@H]1CCCCC1(C)C	2046392064	RKLNSNVTTXQNBR-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
CCCCN(CCCC1(C)CC1)c1ccccc1	2046577525	QBGYVQIDVJPAMC-UHFFFAOYSA-N	245.410	4.873	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C2(CF)CCC2)cc1	2047703691	QMMLGTLUNHSEJY-GFCCVEGCSA-N	248.341	4.523	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048442674	GJOJAKRQHCEUEZ-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
NC1(CC(C2CC2)C2CC2)CCCCCCCC1	2049670126	QXJBLYCHUYUQFB-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1CC2(CC2)C1)CC1(C)CCCC1	2049792720	IGXXIZXKJLJPOM-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@H]1CCCC2(CC2)C1	2049935241	GWVZRNGPDRUDCS-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CNc1ccc2ccccc2c1)C(C)(F)F	2051851869	UJJGKTPCBLMQCN-NSHDSACASA-N	249.304	4.543	0	10	BJAE	
CC(C)(C)C(=O)CCc1ccccc1C(C)(C)C	2053969583	JVDZSXGVGKGOJF-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](Nc2ccc(CF)cc2)C1	2055679063	YINJSOXTKLWLRS-ZBFHGGJFSA-N	249.373	4.783	0	10	BJAE	
C[C@H](C=C1CC2(CCC(N)CC2)C1)CC(C)(C)C	2056620864	KZBKUVWYCDWOPB-BZOOQXSSSA-N	249.442	4.667	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H]1CCCCC12CCC2	2056776850	OBHYRBWONBXQIU-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@](O)(C2=CC[C@H](C(C)C)CC2)CCC1	2061083757	FJYVSWIZMSWSMU-RDJZCZTQSA-N	248.410	4.620	0	10	BJAE	
CC1CCC([C@@H](N)C2=CC[C@H](C(C)C)CC2)CC1	2061087739	HTQRAFPOKNZPQC-KXJMLMMSSA-N	249.442	4.523	0	10	BJAE	
CCC(CC)(CC)CO[C@@H](C)c1ccc(N)cc1	2061846662	XQIBHWPCDYOPFV-ZDUSSCGKSA-N	249.398	4.563	0	10	BJAE	
C/C=C/CCCN[C@@H](C)c1cc(C)c(C)cc1C	2062372343	QMGLAHSGJLEFNP-MOEXGYKKSA-N	245.410	4.619	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H]1c2ccccc2NC[C@@H]1C	2062640596	DJAQSZMYGHJTEJ-CBBWQLFWSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H](N[C@H](C)CC1CCCC1)c1occc1C	2063686417	FXAHLFAOOWVBFH-UKRRQHHQSA-N	249.398	4.598	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2065989896	IMEDNTZREMUOIL-VVLHAWIVSA-N	249.442	4.536	0	10	BJAE	
CC=C=CCCN[C@@H](C)C1CCC(C(C)C)CC1	2067322650	YYAWKPGZQHBFGR-RUNPLJPQSA-N	249.442	4.548	0	10	BJAE	
CC[C@@](N)(C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068766018	CECGSPMSAYJNTG-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068766983	GAIFRGUKQXGDIA-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C1CCCCC1)n1ccc(C2CCCC2)n1	2070168681	HKCWFEIPCIGYDR-CYBMUJFWSA-N	246.398	4.682	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)C1CC2(CCC2)C1	2070408508	PHQRSGOVFYEOFU-HUUCEWRRSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@H]1C)C1=CCCCCCC1	2071501928	AZSLHJGOQGGSBJ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@H]2C2CC2)cc1	2071798654	NSVQXNQBWFHUSD-JKSUJKDBSA-N	243.394	4.585	0	10	BJAE	
CC(C)C1(C[C@H](N)C23CCC(CC2)CC3)CCC1	2071945747	JMXMVESLOXLGFX-PCKAHOCUSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C2C[C@H](C)NC[C@H]2C)CC1	2072818978	QRZMHBYOFDHMFA-QVOMUQBLSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1C[C@@H](C)c2ccccc21	2073293181	CODBSHQDQZLHPG-KEYYUXOJSA-N	245.410	4.793	0	10	BJAE	
CCCC[C@H](CC)N(C)CC1CC(=C2CCC2)C1	2073418995	KIOJFKIKABOOMX-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CC[C@H](C1CCC1)N(C)[C@H]1CCC12CCCCC2	2075011064	RAQXOKIPQRCKFI-CVEARBPZSA-N	249.442	4.610	0	10	BJAE	
C1CCCCC(NC[C@@H]2C[C@@H]2C2CCC2)CCC1	2079279638	VJZJBIDXNQCWDM-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1CCCC1)[C@@H]1C[C@H]1C1CCCCCC1	2079426637	CDWJISALEPKGFX-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H]2C[C@H]2C(C)C)cc1	2079486893	PEKZHAYFCHCLDL-JKSUJKDBSA-N	244.378	4.504	0	10	BJAE	
CCC[C@H]1C[C@H]1CC1(N)CCC2(CCCC2)CC1	2079870182	JYPSYIYPAJHLSN-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CCNCc1cc(C)cc(C)c1C	2082914955	VIEUSYUGCASSTP-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)CC2CCCCC2)c1	2082930892	WOSCFCHCRQHBMM-KRWDZBQOSA-N	245.410	4.582	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC[C@@H]2CC23CC3)CC1	2086418419	NBOPMFAPAUQSJY-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCCCCCC(F)(F)C(F)(F)F	2212616464	GNSRTLOMLKREJT-UHFFFAOYSA-N	242.231	4.877	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CC[C@H]1C[C@H]1CC	2215247804	GXHRUJWMAHBIMC-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC1(C)CC2(CCC2)C1	2215469151	JWUKGMOKXBSISE-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@](C)([C@@H](O)[C@H](C)CCC(C)C)CC1	2215819519	WKUQBFCDHBUXLJ-PMPSAXMXSA-N	238.415	4.556	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216260237	WURHKMIAKAEIFR-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CCC(C)(C)C)C1CC1	2217146070	VXVDWYWFMZABMV-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
C[C@@](N)(CC1C[C@H]2CCC[C@H](C1)C2)C1CCCC1	2218328530	UVPPXLJZYCIQAE-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1CC1)CC1C[C@H]2CCC[C@H](C1)C2	2218362209	VBTOUPVRNRRRFM-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1CC(C)(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218385116	JSSKLZLYEMZQOS-PRMLZIFMSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)c1ccoc1C	2218718704	QJXCVMBCCBGLBQ-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@@H]1CC[C@H]2C[C@@H]12	2218731597	NSXMSBDIXCHAQI-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C/C=C/c1ccccc1	2219088292	PNDFBQGYTBOJSP-BSBMYWPDSA-N	245.410	4.634	0	10	BJAE	
C[C@H](CC/C=C/c1ccccc1)CNC(C)(C)C	2219091761	CHHRYZSGWLVMOF-BMQCOBNYSA-N	245.410	4.504	0	10	BJAE	
CC1(Cn2ccc3cccc(F)c32)CCCCC1	2220311760	AXJARQIBKSTRQF-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
CC[C@@H]1C[C@H]1CCOc1cc(C(C)C)ccc1C	2220957297	CYSCJEIOJSMGNI-GDBMZVCRSA-N	246.394	4.933	0	10	BJAE	
CC1(CC[C@H](N)CC2CCCC2)CC2(CCC2)C1	2221015550	IPKBQQJPGQLKKM-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)(CC2(N)CC(C3CCCC3)C2)C1	2221039002	HLVKQLLAJWJSLA-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@]2(C)CC=C(C)CC2)CC1	2221622555	IHNBCSCVEVWTFD-DJIMGWMZSA-N	247.426	4.587	0	10	BJAE	
O=C1CCC[C@H](C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2222953712	DPPWFGXFAJKBEC-FXUDXRNXSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@@H](NCCCCCCCC2CC2)CC1	2223120637	QWIIMSFBJSPDFX-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C1=CCC(CCNCCCCCCCC2CC2)C1	2223159798	OSNOBKMZIATEKZ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@H](CC)CCC	2244784567	UMSKCQMIZNEVOQ-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
C=C=CCC(=O)CC[C@@H](C)CCCC(C)C	2244844441	AHMVFKIWGQZURV-AWEZNQCLSA-N	222.372	4.529	0	10	BJAE	
CCC(C)(CC)[C@H](CCCC[C@H]1C[C@@H]1C)NC	2247170852	JOQIQSGIMRUYMN-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCSc1ccccc1NC[C@@H]1CCC1(C)C	2247389917	CMCLHQJNUITLOK-LBPRGKRZSA-N	249.423	4.647	0	10	BJAE	
C[C@@H](SCC1=CCCCC1)c1cccc(N)c1	2247546167	NEQZWAGAKZVTHQ-GFCCVEGCSA-N	247.407	4.563	0	10	BJAE	
CCCN[C@H](C=C(C)C)c1csc(C2CC2)c1	2248047620	LOWCPVDWZXRIMT-CQSZACIVSA-N	249.423	4.632	0	10	BJAE	
Cc1cc([C@@H](N)[C@@H](C)C(C)C)cc2ccsc12	2248565144	NQLXPXSLINQZDK-FZMZJTMJSA-N	247.407	4.502	0	10	BJAE	
Fc1cc(CC2=CCCCC2)cc(C(F)F)c1	2250127054	QBIUIDDNCWBGKU-UHFFFAOYSA-N	240.268	4.806	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H](C)c1ccccc1	2250353497	VLWCXZJHARIZQN-ZIAGYGMSSA-N	232.367	4.576	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)C1CCC(C)CC1	2250353943	ZFDNUFHZHNMGHQ-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](O)c1ccoc1	2250466846	KACHADQWONGSRP-UKRRQHHQSA-N	238.371	4.556	0	10	BJAE	
CN[C@H](C)C[C@H](C)CC[C@H](C)CCCC(C)C	2250485201	KKJRCOVKKZBRON-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(C(=O)[C@@]23CCCC[C@H]2CC3)sc1C	2251130762	UXFHNKDLTIDMGB-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
CCCCC[C@H](C[C@@]12CCC[C@@H]1CC2)NCC	2251176661	SXPSQWHDKNATDS-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@]12CCC[C@H]1CC2	2251218318	SZDBUAJVQZUGCN-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCCC(=N)Nc1cccc(C2CCCC2)c1	2251222390	CKTKDORJUXSRBX-UHFFFAOYSA-N	230.355	4.533	0	10	BJAE	
N[C@@H](CC[C@@H]1CCCCC12CC2)CC1CCCC1	2253876235	VRNZWKACOJUXHJ-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NCC1CC2(CCCC2)C1)C1CCCCC1	2254083965	JZLPZXGMFPZGLL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CNC[C@H]1CCC(C)(C)C[C@H]1CC1=CCCCC1	2255138970	CPHRQFFLRJGBIH-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C[C@@H]1CCCC12CC2	2255222751	BGZZXKLHFYJQFK-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@@H]2CCCC23CC3)C[C@H]1C	2255326405	NDKQPQNQWFUHTA-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(F)c1NCCC[C@@H]1CC1(C)C	2256110264	DZRHFYNEJBHFAJ-CYBMUJFWSA-N	249.373	4.626	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cc2cc(F)ccc2o1	2259447774	OCLXTQWITKTNIA-SNVBAGLBSA-N	248.297	4.581	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@]12CCCC[C@H]1CC2	2260489223	KLMRQPCXPKMMBB-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
N[C@H](C1=CCCCCCC1)[C@]12CCCC[C@H]1CC2	2260491942	QGQNJWOMFJYHDO-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
FCc1ccc(NC[C@@]23CCCC[C@H]2CC3)cc1	2260582366	JKOIBSWISDWNII-HOCLYGCPSA-N	247.357	4.538	0	10	BJAE	
CCCc1ccccc1NC[C@@]12CCC[C@H]1CC2	2260593635	XVRXBFKLCLLDPV-RDJZCZTQSA-N	243.394	4.631	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@]12CCC[C@@H]1CC2	2260674542	VNKZZIKLLXEXNM-VQHPVUNQSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@]23CCCC[C@H]2CC3)C1	2260679739	SUIAPRHNISGINZ-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@]2(CN)CC=CCC2)C1	2261262634	BCPUDADRSFOPIR-VMBOVVBDSA-N	249.442	4.524	0	10	BJAE	
CC1(C)CC[C@H](CC2C[C@H]3CCC[C@H](C2)C3)C1=O	2261437348	ZNPGXEDLZYAZHF-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2298721123	QBZJYAVXRDFBDY-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CC1)C(C)(CC)CC	2298850266	LXSPEESBULLAMT-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@@H](C)CC1CC1	2298858559	POJSOXNPSXZNBI-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(N)[C@@H]1CC[C@H](C)[C@@H](C)C1	2300503391	LTFGVVMEVAUXCR-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@H](O)CC1CCCCCC1	2300677695	CGJYYFWALFQSQW-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC(C)C(N)(C1CCCCC1)C1CCCCC1	2300808610	CSOJBYKLYXSLPS-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCN[C@@H]1CCC[C@@H](C(C)(C)C)C1	2300860722	JYNFCXFFGZQLIV-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(=CCN[C@H](C)CC(C)C)CCCC(C)C	2300864563	CBADVYVADOZCCU-MRXNPFEDSA-N	239.447	4.783	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)C[C@@H](C)S[C@@H]3C	2301728687	BYLKCLUWTBSIGD-GHMZBOCLSA-N	245.391	4.524	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)CCCCCCC1CC1	2301945727	OJSYGZUTFHYVPV-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)[C@H](C)C(C)C	2301961319	JPLRNECTDIBWPD-KGLIPLIRSA-N	233.399	4.732	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)[C@H](C)[C@@H](C)C(C)C	2301979308	UZTJTHLESZBKON-SQWLQELKSA-N	239.447	4.568	0	10	BJAE	
Cc1ncc2ccccc2c1CCCC(C)C	2302225566	WZUVGXPYSCXZCD-UHFFFAOYSA-N	227.351	4.522	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CCCC2=CCCCC2)C1	2302352385	SVZCZTDKYZSNKK-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
CC[C@H]1CCC[C@]1(O)CCCC1=CCCCC1	2302362023	UMZPXHNQODDFPX-JKSUJKDBSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@]2(C)CC=CCC2)C1	2302755383	JTPQLOJLHRNEMK-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@H]1CC[C@@H]1C(C)(C)C	2303513291	ZJUHZZHIBJBLJW-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CC1CC(C)(C)C1)NC	2307895935	XQZNBRDDRDQFFZ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1CC2(CCCC2)C1	2307905234	WDJYZEYZDHEDGV-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309184591	IKTTYHNGIKUCON-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H]2CCC3(CCCC3)C2)N1	2315472047	DDJSAYYHVINAHG-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)CC[C@H](O)c1coc2ccccc12	2316238416	MJGGGKANMCAALJ-HNNXBMFYSA-N	246.350	4.683	0	10	BJAE	
CC=CC[C@@H](NCCC)C1CC2(CCCCC2)C1	2316540036	QDTMAHFNEMJTJR-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@H](N)[C@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316790342	IGTIHACVFMWBDL-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC=C(C)C)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316879128	QWUIHSHFKOCKSJ-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NC[C@@H]2C[C@H]3CCC[C@H]2CC3)cc1	2316881074	MXHUDMQROVILQA-JYJNAYRXSA-N	243.394	4.623	0	10	BJAE	
NC[C@H]1CC12CCC(CC1CCCCCC1)CC2	2317000180	AHHSSSDHPRHIAV-AQFXKWCLSA-N	249.442	4.502	0	10	BJAE	
CCCC[C@@H](CC)NC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317039135	AUFYRJNVHLAMRT-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C[C@@H]1C[C@H]2C=C[C@H]1CCC2)NCC	2317159329	YLXHEARNIZONET-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)CCCC1=CCCCC1	2318501438	AGSYNARCAVBWAV-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CC(C)CN(CCCC1=CCCCC1)C1CCC1	2318597824	NZDFAQINQYDRAB-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CC[C@H]2C(C)(C)C)cc1	2320153315	DRMVRNXEJOZPTE-LSDHHAIUSA-N	244.378	4.504	0	10	BJAE	
CC1=C(C)C[C@](N)(CC[C@@H]2CCCC23CC3)CC1	2320267641	HIGZNIOWYOZIGI-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H](C)c2ccccc2C)CC1	2320412158	NDLCDAWJAWTCNV-CVEARBPZSA-N	243.394	4.535	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H]2CC(=O)CC(C)(C)C2)CC1	2320420444	PROYZSVGOXVZGY-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CC=C(CC)[C@H](NCC)c1cccc(C(C)C)c1	2320519210	VKKUEYKWNQWOIE-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CC1(C)CC[C@H](CCNC23CCCC2CCC3)C1	2321597945	CAXOOAUMMABJEA-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@H]2CCC3(CC3)C2)C1	2321634531	SQBMZKJNZHSTFH-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1ccc(CC)s1	20482582	UPJZAUOHMCHDCD-RISCZKNCSA-N	239.428	4.527	0	10	BJAE	
Cc1c(Cl)cccc1NC1CCC(C)CC1	20560593	MHWYDUMQMQVBDO-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CC[C@@H](C)Nc1ccc(SC2CCCC2)cc1	37085894	CQLFKFWLHBUAGG-GFCCVEGCSA-N	249.423	4.932	0	10	BJAE	
C[C@@H](N[C@@H](CC(C)(C)C)c1ccccc1)C1CC1	37128584	MCCVOPXETPQGFB-CJNGLKHVSA-N	245.410	4.552	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)c1ccsc1	50328685	BDVSAFWDSCTSCR-HNNXBMFYSA-N	249.423	4.679	0	10	BJAE	
CCCCC[C@H](NCC)c1ccccc1Cl	71085503	PZFZWTQNJKJBNG-AWEZNQCLSA-N	239.790	4.571	0	10	BJAE	
CCCCC[C@@](C)(CCC)CNCC(C)C	71127847	MMPPMKRAVKUREU-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@H](C3CC3)C2)c1C	81624369	KDKSDDDNOCCKSB-JKSUJKDBSA-N	243.394	4.684	0	10	BJAE	
CCC[C@@H](CCC1C[C@@H](C)C[C@@H](C)C1)NCC	84958297	UJBXUHMQHSMQOR-QXULXFAOSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@]2(N)CCC[C@H](CC)C2)CC1	85078571	ZYELESITSMYKFW-GRAKBVBRSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)Nc2ccsc2)c1	85528942	QAOCHLPCZMMRHH-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)C1CCC(CC)CC1	87937555	XUTJPFXPSYPULT-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)c2ccc(C(C)(C)C)cc2)C1	87985180	PDIRUUFGBMHPGC-OCCSQVGLSA-N	244.378	4.603	0	10	BJAE	
Cc1ccc([C@@H](CCC(C)C)CNC(C)C)cc1	93138945	MFXBUCNXONHHDV-KRWDZBQOSA-N	247.426	4.513	0	10	BJAE	
CCNC[C@@H](c1ccc(C(C)C)cc1)[C@H](C)CC	93190434	BRNBHRGHEFWPTC-RHSMWYFYSA-N	247.426	4.549	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1ccc(C(C)C)cc1	103940651	VSLIKNZXWLULLW-BBRMVZONSA-N	233.399	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)Cc1cccc(C)c1	109713403	TULYMLIYGBHFIY-RDJZCZTQSA-N	248.410	4.505	0	10	BJAE	
CCCCc1ccc([C@@H](O)CC2CCCC2)cc1	109787281	IZNHXWIUFRBVNF-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
Cc1cc(Cl)c(NCC2CCC2)cc1Cl	132068594	OXUCGAUOASUXPO-UHFFFAOYSA-N	244.165	4.514	0	10	BJAE	
Cc1cc(Sc2ccccc2)ccc1Cl	145441001	TZLVQUSVVPBHPM-UHFFFAOYSA-N	234.751	4.800	0	10	BJAE	
CCCCCC[C@@H](N)C1(CC(C)C)CCCC1	158425798	KSXXGAYCAFLUTH-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CCCCC1CCC([C@@H](N)CCC(C)C)CC1	158686232	CGBNEIDGZODSGK-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H](C)c1cccc(C)c1	160203637	HSNJSOITKHCJKG-QRTARXTBSA-N	247.426	4.860	0	10	BJAE	
C/C=C/CCN[C@H](CCCCC)c1ccccc1	161700089	HEPSHLJJGIQYLD-UKINESCASA-N	245.410	4.864	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C[C@H](C)CC	162455184	FGQOAUUBHWUYIZ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](O)[C@H](c1ccccc1)[C@@H](C)CC	168403150	SXCRKURYVASPPE-XIRDDKMYSA-N	248.410	4.758	0	10	BJAE	
CCN[C@H](C1CCC(CC)CC1)C(C)(C)CC	168763150	YKLNDCLMGPMLRN-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
Cc1cc([C@H](C)N[C@@H]2CCC[C@@H](C)CC2)c(C)o1	226501300	XBUPEJYHFUYOEI-OSAQELSMSA-N	249.398	4.516	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)C1(CC(C)C)CCCC1	229272007	HKVQELRGZFKHHA-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@]1(CC)CNc2c(Cl)cccc21	233000151	VQQGINKLEREEGV-AWEZNQCLSA-N	237.774	4.604	0	10	BJAE	
C[C@@H](C[C@@H](O)C1=CCCCCCC1)C(C)(C)C	235147978	VMLITZKXYCSVEW-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C)CC[C@H]1NCCC	250814253	INNGTFYBIYQIKH-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(=O)c1ccccc1[C@@H](C)C1CCCCC1	259005548	UKJGDCZRUNOODM-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@H]1CCCC1(C)C	300287565	YSBKJHWPBMKNQL-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	300462837	ARBNNGZVYWWTED-KCPJHIHWSA-N	244.378	4.558	0	10	BJAE	
CCC1CCC(N)(CCCC(C)(C)C)CC1	300778813	AZDPSHITQPKWOE-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(O)CCC1CCCCC1	302250865	KTTLVOPAQWHNPF-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CCC2CCCCC2)C1	304124164	FAGRKUPCICPWML-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@]1(CCCC(C)(C)C)CCCCCN1	305932367	PENHPQGRCCTQQS-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
Fc1cc2c(C(F)F)c(Cl)ccc2s1	306946208	MAFSUHKKLPMNIS-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
Fc1cc(C(F)F)c2ccsc2c1Cl	307428918	ICZXKUDXNYAROD-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C(C)(C)C(C)(C)C	310591216	ZKRRLEIVHXVEKA-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CC(C)CNC[C@@]1(C2CCCCC2)CC=CCC1	317807236	CITPBNNYFORLSY-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC(C)Oc1ccc2c(ccn2[C@H](C)C(C)C)c1	319558073	OUEMQHZIBCAFHC-CYBMUJFWSA-N	245.366	4.646	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C1(CC)CC1	379741400	KZQOIVDDQIOCEL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@]1(C[C@H]2CCC[C@@H](C)C2)CCCCCN1	380028890	FVXBUVJQQFBNJZ-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C)C[C@H](C)CCCCCC(C)C	383180999	MXOBNLQSSGKAJQ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CCC2=CCCCC2)C1	384854152	MJGJDXCCQXLRAR-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC1(CC)CCC1	390352130	PNTXIWNQNGRJNQ-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)NCC1(CCC)CCC1	391847448	PXTMZFAIBYPHPK-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
C[C@H](Nc1ccc(C(C)(C)C)cc1)C1CCC1	393363369	JFXVHVRTYOJKEL-LBPRGKRZSA-N	231.383	4.585	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1csc(Cl)c1	393909431	MABYPNDOYKCTKM-GXSJLCMTSA-N	246.803	4.507	0	10	BJAE	
Cc1cc2c(S)ccc(C(F)(F)F)c2s1	396309078	SRRYFNQYDLHJJM-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC1(C(=O)c2coc3ccccc23)CCCC1	404331647	QAXIKPQDMAYKGP-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@]12CCC[C@H]1C2	693146461	STVJXCOAIVBKBI-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCC1(C)CCCCCC1	695105429	HIRXOBVUCBCQMJ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@](C)(CNC1CC1)C(C)C	696678856	NZWBBWHBBLNCFJ-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CCC[C@H](C)C1	697759298	NSHCZDNLIHBMSH-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]([C@@H](C)c1ccccc1)C(C)(C)CC	701150110	GHTZFLPURFKQLE-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
CC(C)=CCCc1cccc(C(F)F)c1F	701234756	RPMUZMQOJCABPX-UHFFFAOYSA-N	228.257	4.662	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@H](C)CC(C)(C)C	701243431	LOYJTIWNXQSITP-STQMWFEESA-N	227.436	4.602	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@]1(C)CC1(C)C	705263423	CUPDCXKFZSSQSY-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)C1CC(C)(C)C1	706179817	HEUWTNLNINATGE-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H]2CCCC23CC3)CC1	706290411	RCWJAPMYBVQPKF-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@@](C)(O)C[C@H](C)CC(C)(C)C	709072214	YUHGXOUMGYOBAC-DYVFJYSZSA-N	248.410	4.665	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C[C@@H]1C(C)(C)C)CC(C)(C)C	709125647	IETOBWCLOVKZOS-AGIUHOORSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CCC[C@H](C)CC(C)(C)C)C1CC1	709192941	WJVOTPIBAZFPJQ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](N[C@H]1C[C@H]2CC[C@H](C2)C1)C1CCCCCC1	711190746	CXJWKPBQMOINKD-PNBKFKSVSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC(=O)C[C@@H](C)C(C)(C)C)C(C)(C)C	711201317	PDSZCXSKLKXODS-VXGBXAGGSA-N	226.404	4.700	0	10	BJAE	
CC[C@H](C[C@@H](O)C[C@H](C)C1CCC1)C(C)(C)C	711209035	BGOPTWPIWBPCBY-CFVMTHIKSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C/CC[C@@H](CC1CCCCC1)NCCC	713687714	VNKXDPKFVSCGGO-RTRPANQVSA-N	249.442	4.847	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)[C@H]1CC[C@H](CC)CC1	713732783	VMJWWZDJXYGWPS-FUYDUDRRSA-N	249.442	4.703	0	10	BJAE	
O=C(c1cccs1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714476711	SEZWMCUPAYXXIC-RWMBFGLXSA-N	248.391	4.537	0	10	BJAE	
C/C=C/CCc1cc(Cl)cc(Cl)c1OC	714565721	ORPMWNVCJMPYKZ-ONEGZZNKSA-N	245.149	4.511	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)CCC1CCCC1	718593131	JXJJBGLJJZSILE-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCNC[C@@]1([C@@H](C)CC)CCC=CCCC1	719021516	WWYJBZRFYFYPFY-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CCCCc2c1[nH]c1ccc(Cl)cc21	719245314	FVONYECHMVSHTD-UHFFFAOYSA-N	247.769	4.825	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCCCC(C)C	720941675	VRNSVBUNWMBCIG-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(SC[C@H]2CCC[C@H](C)C2)cc1	1188316766	FNZWVKGSDZVBDJ-KBPBESRZSA-N	234.408	4.913	0	10	BJAE	
CCC[C@@H](C)CCNC[C@H](C)C1CCCCC1	1207357928	SHDBFWHFFHQQDG-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@H](C)SC[C@@H]1CCCC[C@H]1C	1613581171	CEEXAHLVSIJIGA-AGIUHOORSA-N	214.418	4.590	0	10	BJAE	
C/C(=C\Cl)CSCc1cc(C)sc1C	1656488851	GOZWNMIMMAZFGC-VMPITWQZSA-N	246.828	4.741	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C[C@H]3CC[C@H]2C3)CC1	1656570296	GIAZYCZCMRJOKI-OFQRWUPVSA-N	249.442	4.514	0	10	BJAE	
CCCS[C@@H](C)c1cccc(C(F)(F)F)c1	1656758077	AAFBIFDPQIHFLM-VIFPVBQESA-N	248.313	4.910	0	10	BJAE	
CCC[C@H](C)N(Cc1ccccc1)[C@H](C)C(C)C	1880409212	JWGMLXLCUBACKL-JKSUJKDBSA-N	247.426	4.722	0	10	BJAE	
CC=CCCCc1cccc(Cl)c1Cl	1885359407	SXWBYPZGSPGCAX-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
CCC(CC)CC[C@](C)(N)C1CCCCC1	1900698713	WPPXERDBTVCDJW-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC=C(C)CC)NCC	1900842543	KMNWABPCAUQIHR-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCCC(C)(C)[C@@H](CC=C(C)CC)NCC	1900900628	MTHYPBDCBLDPHT-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCc1ccccc1CCC=C(C)CC	1900902217	BKLGEZGUEAXLBV-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	1908080818	FCCKWNPTMOBTMI-NFJGJZHWSA-N	237.431	4.523	0	10	BJAE	
CCC[C@](C)(N)C[C@@H]1C[C@H]1C1CCCCCC1	1910744764	JPILGRPXQXKYQD-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
NC1(CC=Cc2ccccc2)CCCCCCC1	1911828637	CVIDCQKKNNRNSG-UHFFFAOYSA-N	243.394	4.532	0	10	BJAE	
C=CC=CCCN[C@@H](CCCC)c1ccccc1	1911913961	DRCILBFYSRVUHA-KRWDZBQOSA-N	243.394	4.640	0	10	BJAE	
CCC1(C)CC(N[C@@H]2CCC3(CCCCC3)C2)C1	1915868400	OSKGXGZPRJUOQF-QQFBHYJXSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H]1CCC2(CCCCC2)C1	1915921496	CONFZSKXHNXGOS-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1CCC[C@H](C)C1	1919959035	KOLJPEKJKLMETG-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](NC[C@H]1CCCC12CCC2)C1CCCCC1	1921602130	KRHZWRQLXCJAKL-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1csc([C@@H]2C[C@@H]3CCCC[C@@H]32)n1	1936498742	AIZITLPVJIIHFD-SDDRHHMPSA-N	235.396	4.560	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)CCC(C)(C)C	1940857427	XDOXJKDMXXYTTO-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C[C@H](C)C(C)(C)C	1940864581	QHQGJHXXAIGMAV-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@H](CC(C)C)C(C)C	1941265304	UIBFHEHSPLWKGG-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@@H](CC)C(C)C	1941271404	DGEJCBUINYZPHI-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CCCCCC2CC2)C1	1941582280	UUOJUDKSPVXNAS-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CC(C)CC[C@@H](C)n1ccc2cc(F)ccc21	1942661178	MUUINJJXMDNLEK-GFCCVEGCSA-N	233.330	4.778	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)C1CCCCCCC1	1942665671	ZSWJYXRWMPMQAK-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)C[C@](F)(CNC)C(C)(C)C	1944394291	AFHDDEGCFQMZAN-HIFRSBDPSA-N	245.426	4.567	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@H]1CCC[C@H]1C	1944850585	VXGXZBYHYVFVKK-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CC[C@H]2CC[C@H]1C2	1947123499	KZRPTNLDQGBDOB-TYNCELHUSA-N	249.785	4.639	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCCC)C1CC(C)C1	1948155068	IFCHJOSHBOBBAR-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@](N)(CC)CC1CCCCC1	1949018830	KYNQLYTWLGYGBH-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C2CCCCCCC2)C1	1949496525	MRZKHHDPHXJAEV-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC(C[C@@H](O)CCCCCC2CC2)C1	1949742935	UREHXMSTQWWVET-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC=CCC1)C(C)(C)C	1949832229	ULSIQRCOTKJOTC-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CCC)NC1C[C@@H]2CCC[C@H]2C1	1950295584	MTRAHUAHZRPNSL-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1C[C@@H]2CCC[C@@H]2C1	1950298324	RSOZABQNPVNOOZ-DABQJJPHSA-N	249.785	4.639	0	10	BJAE	
c1ccc(NC2CCC3(CCCCC3)CC2)cc1	1968245630	HPSIYOOMIWHPOB-UHFFFAOYSA-N	243.394	4.992	0	10	BJAE	
CC[C@H](C)c1ccc(OCC2[C@H]3CCC[C@H]23)cc1	1968368828	ORTZNUIPHXZZTF-RCBQFDQVSA-N	244.378	4.625	0	10	BJAE	
C[C@@H](CC(C)(C)C)NC[C@@H]1CCCCC1(C)C	1970082770	SVOPUTHIYXZBSY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C(C)(C)CCC	1976003026	IDRVIVCSCFEFAF-ZIAGYGMSSA-N	228.420	4.780	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCC(=O)[C@@H]1C	1982806950	ASJUPTAVLUQMQN-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCC[C@H](CC(C)(C)CC)NCC	1984635384	OTPCBAKJVWCUFM-VIIAAUOXSA-N	225.420	4.537	0	10	BJAE	
Clc1cccc(CCC2CC(=C3CC3)C2)c1	1985537611	YHPCPIWNPGBYEE-UHFFFAOYSA-N	232.754	4.773	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC1(CCC)CCC1	1988464807	TYRSDIDZMVXNCX-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](N)C[C@H]1CC[C@H](CCC)CC1	1989812707	SVLGOYPRAAOFOR-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CC=C(C)[C@H](CC[C@H](C)CCCC)NCC	1995204690	QLRCEPYJCRUJET-HIFRSBDPSA-N	225.420	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H]1CCC[C@H]1C)NCC	1996602073	BWOKUUAXEHJJDP-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)c1cccc2ccsc12	1996602865	MAFAOGGIUXMMEQ-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)C[C@@H]1CCC=CCCC1	2000010720	GXTMGDHNCFHGDE-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000143622	PHXSZUDFLZAUMT-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
C1CCC2(CC1)CCCc1sc(C3CC3)nc12	2001568756	UGTXXPXZJXDBJN-UHFFFAOYSA-N	247.407	4.559	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)CCCC1CCC1	2005597961	UCGRFRODGYBWEP-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@H]1CCC[C@H]1C	2006753108	APRWEMUHEBDONM-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1C[C@H]1CCC=CCCC1	2006990138	YJLFTSIUVBAXPE-SOUVJXGZSA-N	234.383	4.518	0	10	BJAE	
CCC1(CC)CC(N)(C[C@H]2CCC[C@@H](C)C2)C1	2009303366	GPQKULRQZNZHSR-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC1([C@@H](N)CCC2(C)CC2)CCCC1	2009543365	FYOYBMAJLCYINX-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC=CCCCNc1ccc(CCCC)cc1	2009589051	CMHOXQHJIGDQAN-UHFFFAOYSA-N	231.383	4.797	0	10	BJAE	
C/C=C/CCC[C@H](O)[C@]1(C)CC[C@@H](C)C1(C)C	2009595328	WHPOEFKLUDWCSA-IJDKCUFDSA-N	238.415	4.556	0	10	BJAE	
CC=CCCC[C@@]1(CNCC)CC[C@@H](CC)C1	2009616006	FAZKOBFPUGIOND-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC=CCCC[C@]1(CNCCC)CCC[C@@H]1C	2009616507	JNLLASIZMJGOQK-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](O)C[C@H](C)C(C)(C)C)CC1	2010725874	LGWXTFVBXKDASS-GUTXKFCHSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CCC[C@H]1C[C@@H]1C	2011581020	NBQMWWDUBQGUFO-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H]1C[C@@H](N)CC(C)(C)C1)CC(C)(C)C	2012041226	IYKKRMQVCUVMSE-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NCCC(C(C)C)C(C)C	2015361743	YOIMNRRRFZUADN-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CCC1(C[C@@](C)(O)C2(C)CCCCC2)CCC1	2015590797	BLWJCXXULRZSKT-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CC[C@H]2C2CCC2)c1	2017043085	NEKNHWQMAXUXRM-GXTWGEPZSA-N	249.785	4.639	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)C1(C(C)(C)C)CCC1	2017132303	BZKLIGQZKHXHQN-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCCC(C)=C1C	2018129748	FHPCLASIUUUQSN-CVEARBPZSA-N	237.431	4.824	0	10	BJAE	
CCCCN(CCCC)[C@@H]1CC[C@H](C)[C@@H](C)C1	2019123806	JPBJMTIILRABBA-HRCADAONSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@H](C)CCC(C)C	2019407894	YIPJANHJPHVHQP-OAHLLOKOSA-N	241.463	4.958	0	10	BJAE	
CCC1CCC(O)(CCC2=CCCCC2)CC1	2019768840	PPQRUGPBGQYIGV-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)CN(CC(C)C)C1CCC1	2020655617	QEVAFVDIQDJONK-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)CC1(C(C)(C)C)CCC1	2022417977	RXEWYZQSYYPKPX-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](O)CCCC(C)(F)F)CCC1	2023312337	UEJZDYSEGCUAQT-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
C[C@@H](CCCN)CC1CC(C)(C)CC(C)(C)C1	2024095396	QZFZGZYLDABYKZ-ZDUSSCGKSA-N	239.447	4.604	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1C[C@@H]2CCC[C@H]21	2027320668	WVWNPNHTSHRNKQ-WOSRLPQWSA-N	243.394	4.585	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)Cc1ccccc1C(C)C	2027498061	ANPGUXFKUVBVHV-RHSMWYFYSA-N	247.426	4.506	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H]1CCNc2ccccc21	2027835289	AESLMUFCOGDCDI-ZIAGYGMSSA-N	243.394	4.802	0	10	BJAE	
CCCc1ccccc1OCCC[C@H]1CC1(C)C	2027844299	YQVBAQIPHMJTRQ-HNNXBMFYSA-N	246.394	4.844	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)c1ccc(C2CC2)cc1	2028594364	WKQYKXANFUCBEG-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C[C@H]1CCCCC(=O)C1	2029173062	BJFONQGCVAUXIC-YXWQFLTLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)C[C@@H]2C=CCCC2)C(=O)C1	2035569107	ZZYHZVVKJBIKTK-RBSFLKMASA-N	248.410	4.764	0	10	BJAE	
CCNCC1(C[C@H]2C=CCC2)CCC(C)(C)CC1	2035594052	SNIIIJBIJYBEBP-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
C1CCCCC(NC2C[C@@H]3CC[C@H]3C2)CCCC1	2035891694	MOXGHHWZLKQDBI-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@@H]1CC12CCCC2	2036102293	YKBKNVINZWSHRY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@H](N)c1ccc(CC(C)C)cc1	2037125662	LFFNTZOURSTFNK-CPUCHLNUSA-N	247.426	4.567	0	10	BJAE	
CCCNCC1([C@H]2CC[C@H](C)C2)CCC=CCC1	2037696823	BTEGZZSVHAHXRA-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1[C@H]1CCC2(CCCC2)C1	2037706919	ZGJUAGHFHBRKTD-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1=CCCCCC1)CC1CCCC1	2038112898	RRSGTRDTCMCHHG-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@H]1CCC2(CC2)C1	2038574458	FNVGZYLDAHXFAH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CCC(=O)[C@H]1CC12CCCCC2)C1CC1	2039002650	KLMCPBIOMYRISN-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@H]1CC12CCCCC2	2039075113	ITISMZOOPZPBGM-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](NCC[C@@H]1CC=CCC1)C1CCCCC1	2040676729	GTMGBFNLGYGQEY-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CN([C@@H]1CCC(C)(C)C1)[C@@H]1CCCC2(CCC2)C1	2041291871	CNZYRCFJIFBBQW-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC2CC3(CCC3)C2)CC1	2041542732	YPBGTJLLTQYIND-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CCC1)[C@@]1(C)CC=CCC1	2042019267	MRLFOUAOCKJITD-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](N[C@H](C)C1CC(C)(C)C1)c1ccccc1	2043544739	UFXCEKAEXFRFRA-CZUORRHYSA-N	245.410	4.552	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@@H]1CCC=CCCC1	2045320463	NAOPILUVSVDDNS-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
NC[C@@H]1CCCCC[C@H]1C[C@H]1CCC=CCCC1	2045328665	GYCQEUMOSXGZRC-ULQDDVLXSA-N	249.442	4.668	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1ccc([C@@H]2C[C@H]2C)o1	2045559813	FAEWACHRESEACM-YNEHKIRRSA-N	248.366	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC1CCC=CCC1	2045568694	BJMMOIDJGSHGCS-HZPDHXFCSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1ccccc1C(=O)C1(C(C)C)CCC1	2045570597	HBHPILBCCVYWGE-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCCC1CC(C(=O)C[C@H]2CC23CCCCC3)C1	2047065684	PCOFSYVZYXVNRT-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@H]3CCCCCC[C@@H]32)CCC1	2047425518	VYNUHRAJOIZHNM-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCCC=CCNC[C@@H]1C[C@H]2CCCCCC[C@H]21	2047433977	GMLFDMHTXQRQEK-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@@H]2C=CCCCCC2)C1	2049578045	SENRONVNVNJGFR-WCXIOVBPSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)C)c1ccc(C)cc1	2050439154	RYPNRQJVASRCIY-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCCCC23CCC3)cc1	2053359906	OWZDLLDZSJYMTG-HNNXBMFYSA-N	242.362	4.538	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(CN)CCC2(CC2)CC1	2056523641	PSQOOLOXZLBYRS-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
CCC1(C)CC(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1	2058831274	JFRDXEYGOAPEAA-VPABYTGTSA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H](C)c1ccccc1	2059251655	AGYHMRLQSNIDAU-JPQUEUOBSA-N	245.410	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](C)[C@@H](NCC)c1ccccc1	2059255017	DOYZADAKYUQFFI-JPQUEUOBSA-N	245.410	4.720	0	10	BJAE	
CCC[C@@]1(C2=CC[C@@H](C(C)(C)C)CC2)CCCN1	2061095712	OVYZLLRCHHLHNF-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
C1CCC2(C1)C[C@H](CC1CC(=C3CC3)C1)CCO2	2061718286	JLAJHXLJGZGDCK-ZDUSSCGKSA-N	246.394	4.616	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)CC1CC(=C2CCC2)C1	2061733363	DJJLNGMKAPBXRN-BLLLJJGKSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC2(CC(C[C@](C)(N)C3CCCC3)C2)C1	2063209469	UMVNIEKPOOQKHP-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)CC1C[C@@H]2CCC[C@H]2C1)C1CCC1	2063424381	SRLWDXQDICMAFH-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@H]2C[C@@H](N)CC3(CCC3)C2)CC1	2063637247	DJVKDKDJPPHMHR-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
C1CCCC2(CC1)CCC([C@H]1CCCNC1)CC2	2065897146	KHBLHFCWOCURDG-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)c1ccc(C2CCC2)cc1	2068234165	UIZVWNIINWBROC-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)[C@@H]1CCC2(CCCC2)C1	2068270257	WEOXETGXQPVBMQ-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@@H]1CC12CCC2	2069174986	MOUMFCBYYYUPOZ-HUUCEWRRSA-N	248.410	4.886	0	10	BJAE	
CCCC1(CC[C@H](N)c2cccc(F)c2)CCC1	2069341357	DVIXIGLRZQTQHV-HNNXBMFYSA-N	249.373	4.576	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C1=CC[C@@H](C(C)C)CC1	2070311047	UFLVOVPERHGNPI-NVXWUHKLSA-N	249.442	4.833	0	10	BJAE	
CC(C)=CCC[C@](C)(O)c1ccccc1C(C)C	2070392616	KFMUZMZGTHORAJ-KRWDZBQOSA-N	246.394	4.764	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H]1C1CCC1)C1CCCCC1	2071791088	RHSZUNSMRDWBAQ-YESZJQIVSA-N	249.442	4.514	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNC2(C(C)(C)C)CCC2)C1	2071870685	JKADYKXEBXIFKB-HIFRSBDPSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(C(=O)CC[C@H]2C[C@@H]2C)cc1	2072078984	CLBYVMQSABLKNI-BBRMVZONSA-N	244.378	4.648	0	10	BJAE	
CCCC1CCC(C[C@H](NC)c2ccoc2)CC1	2072801071	KHXPPSISEFVCDT-XUJLQICISA-N	249.398	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C2(C3CCC3)CC2)CC1	2072874116	XCUVPRWZQKTREA-HDJSIYSDSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)Cc1ccccc1	2073342124	OGWNPHWWHSHWFV-DOTOQJQBSA-N	247.426	4.566	0	10	BJAE	
CCCCC[C@](O)(CC)c1coc2ccccc12	2073347539	QKMOYZQIQVESDJ-MRXNPFEDSA-N	246.350	4.611	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@]12CCCC[C@H]1C2	2074028324	GVUSCFPSMSIGCS-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@]12CCCC[C@@H]1C2	2074032451	FOZSXSHWGURIOJ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)C1(C2CCC2)CC1	2074646567	NWJAHJXKBSXHRZ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](N)c1ccc([C@H](C)CC)cc1	2079518179	GKGDTSTYEOUNTI-VZEFYGNVSA-N	245.410	4.636	0	10	BJAE	
C1CCCC(CN[C@@H]2C[C@H]2C2CCCCC2)CC1	2079525406	AMXYZADPFXTFOE-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC1(CNC(C)(C)C)CC=CC1	2079671246	PFMMQMBGAQHLQG-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@@H](O)c2cc(C)cc(C)c2C)CCC1	2082942523	RXJDWKCHFJTNHK-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
CC1(C)CC(C[C@]2(N)CC=CCC2)CC(C)(C)C1	2082976934	VDXLYQPWFKGCCF-KRWDZBQOSA-N	249.442	4.667	0	10	BJAE	
c1cc(N[C@@H]2C[C@H]3CCC[C@H]2C3)cc(C2CC2)c1	2086160814	YIDOHGHAWFTCKL-YLQAJVPDSA-N	241.378	4.555	0	10	BJAE	
CC(C)c1coc2cc3c(cc12)OC(C)(C)CC3	2086591869	XTZUVCGHUGEFFS-UHFFFAOYSA-N	244.334	4.660	0	10	BJAE	
NC[C@H]1CCCC[C@@H]1CCCCCCC1CC1	2213574171	QFGLEGUQUVIYRP-JKSUJKDBSA-N	237.431	4.502	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(O)CCCCC1CC1	2214564847	YFOZOPJSRRYOOR-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCCC1CC1)[C@H](C)CC(C)(C)C	2214565541	NRERQIMKVCTOCI-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)c1csc2ccccc12	2215064717	QIRTWIJHIRVHMH-MNOVXSKESA-N	244.359	4.520	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@@]1(O)CCC[C@@H](CC)CC1	2215236509	KCMXLZRHPUBZLM-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC(C)(C)C)CC=C(C)CC1	2215841080	VRELBVFKJDFWQJ-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)[C@@H](C)CC(C)C	2217133445	AOZLAQMXRXRVRU-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218335997	AVGQJLRRGFACLO-ZSHCYNCHSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)C/C=C/c1ccccc1	2219081167	GMQNQDACWGNNRX-BZYXRLQRSA-N	245.410	4.504	0	10	BJAE	
CCCC[C@H](NC[C@H]1CC[C@H]1C)c1ccccc1	2220598905	KOSACZZXZRWAKD-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)C1(C)CCC2(CC2)CC1	2220958471	IWBGTWFIKVTKGP-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCNC[C@@]1(C2CCCCCC2)CC=C(C)CC1	2221666874	RTAOQGSAFOCVDJ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
Cc1cccc(C)c1C1(N)CCCCCCCC1	2222014001	NJCVCUUJXNECFR-UHFFFAOYSA-N	245.410	4.592	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CC[C@@H](C)C2)CC=CCC1	2223591959	DQWCLAOOSBLMAB-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1cccc2ccoc12	2224156880	LYPLLXQUOZEIGZ-OAHLLOKOSA-N	246.350	4.683	0	10	BJAE	
CCC[C@H](C)C(=O)CC[C@H]1CCC[C@H](C)C1	2242773858	YOVZMDNCUPZDSA-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)CSc1cccc(F)n1	2246105482	ATEUJBFOTNPTFH-LLVKDONJSA-N	241.375	4.529	0	10	BJAE	
CCCC1([C@H](O)CC[C@@H]2CCC[C@@H](C)C2)CC1	2246735652	ZQVVWIPSENVFAU-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CCCC[C@H]1C[C@@H]1C	2247114235	GYEBBUMNKADNIU-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
Cc1cc([C@H](N)[C@H](C)C(C)C)cc2ccsc12	2248555682	NQLXPXSLINQZDK-BXUZGUMPSA-N	247.407	4.502	0	10	BJAE	
CC(C)C[C@H](C)Nc1cccc(C(C)(C)C)c1	2249262649	CFEJJSWZYLBTGI-ZDUSSCGKSA-N	233.399	4.831	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CCCCCCC1CC1	2250352911	PSIWMPWCXVMZTO-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC=C[C@@H]1N	2250480494	GLLFJCXDAIOCKN-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(C)C[C@H]1CCNc2ccc(F)cc21	2251635200	FGNDEDUCHCNPPG-LLVKDONJSA-N	235.346	4.551	0	10	BJAE	
CC1CC(C)(CC(=O)C2C[C@H]3CCC[C@H](C2)C3)C1	2253763242	NJKJUFAYJNPJFE-CWVKQELPSA-N	248.410	4.598	0	10	BJAE	
CC1CC(C)(C[C@H](N)[C@@H]2CCCCC23CCC3)C1	2253772620	PGQWJODIPWBJBR-PYBGIAKNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCCCC23CC3)C1	2253780317	FYKCWXQWIQOFBP-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC(C)=C(C)CCNCC[C@@H]1CCCCC12CC2	2253783097	MBRHHKAFTQDLEK-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@@H]1CCCCC12CC2	2253797598	YHXOANRHIMGXRU-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](C)N1CC[C@H]1CCCCC12CC2	2253856611	QNQASSAHSAUHHU-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)c1cccc(C2CC2)c1	2254963392	UJKYSZMGHDVKGE-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CC1CCC([C@@H](N)CC[C@H]2CCCC23CC3)CC1	2255264889	XBDUYHBUEZKZIW-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(NCC[C@@H]2CCCC23CC3)ccc1F	2255332555	QAMJHDLKENIZEW-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](C)CCC(C)C)cc1	2256253386	OVJAPGRPJUPGOU-CQSZACIVSA-N	246.394	4.894	0	10	BJAE	
CCCc1ccc([C@H](N)[C@H](C)CCC(C)C)cc1	2256294885	WVEUNTPGTZDAMC-RHSMWYFYSA-N	247.426	4.711	0	10	BJAE	
CCCc1ccccc1[C@@H](NC)[C@@H](CC)CCC	2259456307	VZBPOJPNPNBWQL-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2260577711	HHMYONVRBMZRSN-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@]23CCCC[C@H]2CC3)CC1	2260632125	AWOVCDYFSOYLOW-QAETUUGQSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCC1)c1cccc(C2CCCC2)c1	2260653769	BPIQMUQBNXGINF-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
C[C@H](CC1CC1)C(=O)c1ccc2sccc2c1	2298865068	GJQLGFOXHWBUED-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)([C@@H](C)CC2CCC2)CC1	2298877249	BDFNEUDWMZEWIO-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@H](C)CC1CCC1	2298917052	UICZGUPHFSFLFX-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@@]12CCCC[C@@H]1C2	2300477843	ZUFKIHNYAZRZDL-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cc(C)cc(C)c1	2300683004	FKGVWRFNRSQVBX-MRXNPFEDSA-N	233.399	4.520	0	10	BJAE	
CC(=CC[C@@H](N)[C@H](C)C1CC1)CCCC(C)C	2300871501	GFJWHZWYBCAYSH-GDBMZVCRSA-N	237.431	4.523	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)CCCCC[C@H]1C[C@H]1C	2301942382	PUORYFLBDYXKHU-FXUDXRNXSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CCCCC2CC2)C[C@H]1C	2302580194	QFWYQGPUZQNWTL-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1CCC(C)=C(C)C1	2303516373	ODKKSCLAIWOGPS-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCC[C@@H](C)C2=O)CC1	2303521780	JRCALZWGHJSDJE-YUELXQCFSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1cccc(C(C)C)c1	2303660594	GRIIGDKIBWVDJV-BBRMVZONSA-N	233.399	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCC(C)(C)CC1	2307748826	DMMIIBGALSTUEV-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCCNC[C@](C)(C[C@@H](CC)CCC)C1CC1	2307832292	RRFXHUOGLOPBOO-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)[C@H](C)C(C)C	2307904055	RFJJFWARSWHYLL-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC[C@@]23CCCC[C@@H]2C3)CC1	2311126520	IMHPFZUMTCHFOX-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CN[C@H]1[C@@H]2CCCCCCC[C@@H]2C12CCCCC2	2311922224	KOIXFGRHADWWMM-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1CC[C@@H]2C[C@@H]2C1	2312333665	WGXUQSJCAZCLNG-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)C[C@@]23CCC[C@@H]2C3)C1	2312670492	OZHSGHJNXWCQJB-MPTYRVRUSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@]12CCC[C@@H]1CC2	2313332161	OOABXPRYUSHMQU-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CCC1(C)C	2315866340	QMVANWPQEFVQIU-HNNXBMFYSA-N	245.410	4.967	0	10	BJAE	
CCC(CC)CC[C@@H](NC)c1cccc(C)c1C	2316249303	YNVMQMXOSAJDCT-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCC(CC)CC[C@](N)(CC)c1cccc(C)c1	2316253874	WBTRNPFWCCBAOX-QGZVFWFLSA-N	247.426	4.775	0	10	BJAE	
CCC(CC)CC[C@@](N)(c1ccccc1)C(C)C	2316271510	QXOVHMORFUAUTP-KRWDZBQOSA-N	247.426	4.713	0	10	BJAE	
CCC(C)=CC[C@H](NC)C1CC2(CCCCC2)C1	2316531980	KVJFYWFUAYESSH-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2316536585	MPKSDYNHRREGKF-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317159847	XNNQTXZHCHZWFM-BIVLZKPYSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1[C@@H](Nc2cc(C3CC3)ccc2F)CC1(C)C	2318246651	BMRLYHAZRHYQSX-BONVTDFDSA-N	247.357	4.550	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](NCCCC2=CCCCC2)C1	2318522353	RFHQLHWVYKHNNT-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@H](O)C[C@H]2CCC(C)(C)C2)c(C)c1	2319084201	ZPWUOQKNSBXVDC-GDBMZVCRSA-N	246.394	4.553	0	10	BJAE	
CCCC1(C(=O)CC[C@H]2CC[C@H]2C2CC2)CCC1	2319728128	VQJRKDYUANNRQB-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
Cc1coc(C)c1C(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2320221054	FKFXTJMLOBEWQO-QWHCGFSZSA-N	248.366	4.542	0	10	BJAE	
CC[C@H](NC[C@H]1CCC(C)=C(C)C1)C1CCCC1	2320232542	SBGCYWCZRWUADB-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C[C@](O)(C[C@@H]2CCC(C)=C(C)C2)C1	2320340052	IUIKHDGRZOFYMY-BRWVUGGUSA-N	248.410	4.620	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H](C)C2CCCCC2)CC1	2320414808	UWXYBZMCUXJCAA-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@@]12C=C[C@@H](CC1)C2	2328281978	LMEKUDVEFVPBMM-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1cc(C)ccc1C	20482630	DTDPZDPCOGFCBY-ZBFHGGJFSA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1	21505440	LPFAJYYZGLVCFO-UONOGXRCSA-N	247.426	4.823	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cccc(F)c2)cc1C	21511500	HUZICABBSDMIRH-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCCCCS[C@H](CC#N)c1ccccc1	34435317	HJGAEWXWRAGXSX-OAHLLOKOSA-N	247.407	4.955	0	10	BJAE	
CCC[C@H](NC)c1ccc(C2CCCCC2)cc1	35496463	FGTJLGSLFIVBJY-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccccc2C(C)(C)C)C1	36956484	CLBPPQJUJIUCFP-KBPBESRZSA-N	245.410	4.975	0	10	BJAE	
CC1=C[C@@H]2[C@@H](CC1)C(C)=CCCC2(C)C	59778561	PUWNTRHCKNHSAT-UONOGXRCSA-N	204.357	4.725	0	10	BJAE	endogenous,in-man
CC[C@H](C)CC(=O)C1(c2ccccc2)CCCC1	62782496	ZGJHKTMDWPFAEZ-AWEZNQCLSA-N	244.378	4.504	0	10	BJAE	
CCC[C@@H](N[C@H](CC)CC1CC1)c1ccccc1	70106123	ZJJCYHWZMIZSOY-IAGOWNOFSA-N	245.410	4.696	0	10	BJAE	
CCCCCC[C@@H](NC)C1CCCCCC1	83779577	WUFATTLTLXNRPY-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCN[C@H](c1ccccc1)C1CCC(CC)CC1	85079833	ITDSGOHXXGJGCF-BDVYOWHSSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H]1CCC[C@H](Nc2ccccc2)CC1	86921992	OFNBIAUXUAWREX-ZBFHGGJFSA-N	231.383	4.848	0	10	BJAE	
CC[C@H](C)C[C@@H](C)n1c(=S)[nH]c2ccccc21	88299221	BPBRPJAOINLWJW-WDEREUQCSA-N	248.395	4.696	0	10	BJAE	
CCC(C)(C)C1CCC(N[C@@H]2CC=CCC2)CC1	88747481	MJRPZUXSZXKAHX-HWOWSKLDSA-N	249.442	4.680	0	10	BJAE	
CCC[C@H](C)C[C@@H](CNCC)c1ccccc1C	93104474	JQPYAMSOIHYMJD-HOCLYGCPSA-N	247.426	4.514	0	10	BJAE	
CCCC1CCC([C@@H](NCC)[C@H](C)CC)CC1	93188285	MFGCRZNJZYRLME-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@H](CNC(C)C)c1ccc(C)cc1	94675618	XBGSQOJFCDEQAJ-QGZVFWFLSA-N	247.426	4.513	0	10	BJAE	
CC/C=C\C[C@@H](C)c1cc(C)c(C)cc1F	107566922	XMVFHSOSLZGGCO-JMEBYUIHSA-N	220.331	4.902	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1ccccc1C1CCC1	132603898	OIAQMSSSLACOFW-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)(C)C)C1CCCCC1	167196357	ITTBXPOLVKXKNY-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1CCCCC1)CC1CC1	167649374	IJRIEEBZZBZHEU-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
FC(F)=Cc1ccccc1-c1ccccc1	196417536	NTCRTHXTLIKBEZ-UHFFFAOYSA-N	216.230	4.591	0	10	BJAE	
Cc1cc(F)ccc1C(=O)[C@H]1CCCCC1(C)C	226784841	NRHUJHHRHKDIEH-CQSZACIVSA-N	248.341	4.533	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(O)CCC1CCCCC1	302242617	GDGWOJIKIRZGLC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCc1cc(N[C@H]2CC(C)(C)C[C@H]2C)ccc1C	302360825	YCCTUSYNIQKLPP-CJNGLKHVSA-N	245.410	4.794	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@H](C)CC2)cc1C	302362062	YHEGFWMVETVHIF-XJKSGUPXSA-N	245.410	4.938	0	10	BJAE	
CC(C)C[C@H](C)Cc1ccc2c(c1)CC[C@H](C)N2	302374941	OYXOUWNBGIYMOZ-KBPBESRZSA-N	245.410	4.658	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)C)C(C)(C)CC	302421034	UHPNGBKGIWFHLI-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(N[C@@H](CCC(C)C)C2CC2)c1	302507191	MLZRUEGUAIVRAA-INIZCTEOSA-N	231.383	4.622	0	10	BJAE	
Cc1cc(C(=O)C[C@@H](C)CC(C)(C)C)oc1C	304218695	SPBOEBOMLRAARW-SNVBAGLBSA-N	236.355	4.542	0	10	BJAE	
CSc1cc(Cl)cc2scc(C)c12	306744855	YYFIKNRUEIJXEN-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Cc1sc2cc(Cl)ccc2c1C(F)F	306909102	GIVCGRXHYIVVPV-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCOc1cc2cc(Cl)c(Cl)cc2s1	307122417	VYBJNOHPOZGKEU-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CSc1c(Cl)sc2cccc(Cl)c12	307187013	VERNNEXVKQEDLI-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
C[C@H]([C@H](O)C[C@@H](C)C1CCCCC1)C(C)(C)C	310582259	RNHQOYDASWWQGZ-UMVBOHGHSA-N	240.431	4.636	0	10	BJAE	
CCCCCC(=O)c1ccc2ccccc2c1F	311069217	LSBZKOLCUNJQBK-UHFFFAOYSA-N	244.309	4.742	0	10	BJAE	
CC(C)CCCCC[C@]1(C)CCC[C@]1(C)O	313158202	VDZTUEUYHGGVCC-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CC(C)=CC[C@]1(CNC(C)(C)C)CC[C@@H](C)C1	318029106	PLVFKTAAFZRIDZ-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1ccccc1C(C)(C)C	381068894	AVFVUWKONUJDSW-CYBMUJFWSA-N	246.394	4.849	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1Cl)C1CCC1	382095121	MOJQADIWPZBQDN-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
CCC[C@@H](O)CCCCCCCC(C)C	383167491	RNIWEKILFMALPH-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
CCCN[C@H](CC)CCC[C@H]1CCC[C@@H](C)C1	383647574	GTCLHBUZUKOHON-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC([C@H](N)[C@@H](C)CC(C)C)CC1	383927522	SAUOKXQTZRALHP-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C[C@@H](C)c1ccccc1	385291184	ZUDYTWLWVLKBQB-ZMSDIMECSA-N	247.426	4.595	0	10	BJAE	
c1cc(N[C@@H]2CCC[C@@H]3C[C@H]32)c2sccc2c1	386269252	YSPYWSJROCMCQP-JHJVBQTASA-N	243.375	4.502	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NCCC1CCCCCC1	394570723	LQBQCDHTQHFBSF-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCCCCC(C)C)CC1CC1	394722441	BXJDGVIHTNYALV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](O)(CCC1CCCC1)C(C)(C)C	395494108	OSIGCLIDIBQOHU-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCc1cc(F)cc2c(C(F)F)csc12	396200517	QGNWZWUFHIGATH-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1csc2cc(C)c(C(F)F)cc12	396203543	TUUHIISKNNSZLN-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1cc(C)c2ccsc2c1C(F)(F)F	396310428	VMJPEMGJWGGOKU-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCC1(CNc2cccc3c2CCCC3)CC1	687550138	SCZYMQQJKGUULV-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC(C)c1ccc(NCCCC2CCC2)cc1	688381856	OIZZORTYBIVDCR-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)C1CC2(CCC2)C1	691890876	MGRNXFSWGDYDKB-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@]12CCCC[C@H]1C2	697832764	UYRANIXCYZACIW-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(-c2ccc(O)c(Cl)c2)c1	701567353	MPSUPXGATNDOGW-UHFFFAOYSA-N	246.737	4.836	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CCC=C(C)C	704683122	NSMDHQUZQHRAHR-GJZGRUSLSA-N	225.420	4.523	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)CC(C)(F)F	704733576	NWYNGRHNKKOZDG-CQSZACIVSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@](C)(CNCC)C[C@@H](C)CC(C)(C)C	709106919	PUBNPXIXYYJBMO-GOEBONIOSA-N	241.463	4.865	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CCC(C)(C)C1CC1	709123155	JCNVJETXMABNLB-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](C[C@H](O)C1(C)CCCCCC1)C(C)(C)C	710725134	WJMGHTNZZZDXHP-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)C[C@]1(O)CCCC[C@@H]1c1ccccc1	713189383	RKFFWYXLIYBQAR-NVXWUHKLSA-N	246.394	4.512	0	10	BJAE	
C/C=C/C[C@H](CC)c1cccc(C)c1C	714550274	ULFHUJVCXOLXTA-DYLGSBMWSA-N	202.341	4.763	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCCC(C)(F)F)NCC	718721963	KKVLOHYIJOQNHZ-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(CN)CCC=CCCC2)C1	718978134	IJUKRHCNDZUVIU-IXDOHACOSA-N	249.442	4.668	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CCCC(F)(F)C1	721699411	VOAPGKYEKLHXGE-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H]1C[C@@H]1CC)NCC	723093228	FGSNXCKIQOBWRE-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(CNc2ccccc2C(C)(C)C)C1	723535023	OSFJDZYCWTVARI-UHFFFAOYSA-N	245.410	4.832	0	10	BJAE	
CC(C)N(CC1CCCCCC1)C1CCCC1	1459661615	HAOPKOHCPXOCOM-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1ccc(C)cc1F	1620889925	PBDWBVOFHFLYML-UONOGXRCSA-N	247.357	4.538	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CN[C@@H]1CCCC(C)(C)C1	1652221453	YRMXECZUFGKUIH-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
C=C/C=C\CCS[C@@H](C)c1ccccc1	1656801441	HMDARFWCBMBWSX-ZFDPJTLLSA-N	218.365	4.613	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(O)CCCC(C)C	1900582119	AXXJJESUKWWACG-HNNXBMFYSA-N	226.404	4.700	0	10	BJAE	
CCC(CC)CCC(=O)[C@]1(C)CC=CCC1	1900708820	DDPLRQHSQYPNLM-OAHLLOKOSA-N	222.372	4.518	0	10	BJAE	
CCC(C)=CCC(O)(CC(C)C)CC(C)C	1900852222	ADFRRQYJUKKTBD-UHFFFAOYSA-N	226.404	4.556	0	10	BJAE	
CC(=CCc1ncc(C)s1)CCCC(C)C	1900903206	LVQQTDVHFASIOJ-UHFFFAOYSA-N	237.412	4.767	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1ccc(F)c(Cl)c1	1901712862	YWHPXLPVDAOWPD-UWVGGRQHSA-N	243.753	4.572	0	10	BJAE	
CCC[C@H](Nc1cscc1CC)C1CCC1	1902377808	YKSXKNABEDGXIF-ZDUSSCGKSA-N	237.412	4.691	0	10	BJAE	
C=CC=CCC[C@H](O)c1ccccc1C(C)(C)C	1911945398	XBIVKNPTFOLROA-INIZCTEOSA-N	244.378	4.540	0	10	BJAE	
CCC=CC[C@@H](CC)c1ccc(OC)cc1	1912011947	SNKAYKADPNLOKC-CYBMUJFWSA-N	218.340	4.545	0	10	BJAE	
CC1(C)CCC(N[C@@H]2CCC3(CCCC3)C2)CC1	1916442185	KIMONAVIPHTRGS-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@](O)(CC)c1cc2cccc(C)c2o1	1919476663	FTAUFZWPAPIEBY-MRXNPFEDSA-N	246.350	4.529	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CCCC1CCC1	1919972508	CZOGHZVHEQWBAW-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCc1ccc([C@@](C)(O)CCC=C(C)C)cc1	1920021118	LCMLQMMDVWZBDZ-KRWDZBQOSA-N	246.394	4.593	0	10	BJAE	
CC1(C)C[C@@H]1CCC1(N)CC(C2CCCCC2)C1	1921546277	MMQAWUNUOLPBKD-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@]1(CNC(C)C)CCCC12CCC2	1921585536	GTKZTCICVYEAFW-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)cc([C@H](N)[C@@H](C)C2CCCCC2)c1	1924130100	LKHOAZOFDYEHBO-WMLDXEAASA-N	245.410	4.520	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)C[C@@H]1C=CCCCC1	1925773863	HIXPTIXHDSGASP-CYBMUJFWSA-N	248.410	4.764	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@H]1C=CCCCC1	1925923754	GHSIWSBRBXKUOH-HRCADAONSA-N	238.415	4.700	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1ccsc1Cl	1933835517	QWVCZVFFTIDLEB-LLVKDONJSA-N	243.803	4.538	0	10	BJAE	
CCN[C@@H](CC)CCCC1(C)CCCCC1	1935625008	JGOIQLNYTYQLLU-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@@H](O)[C@H](CC(C)C)C(C)C	1936193173	PXRQLXBFGPXBGT-HUUCEWRRSA-N	228.420	4.636	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CCC(C)(C)C1	1938008307	UIVLAJPMMJCZLV-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCNC[C@H](CC(C)C)CC1(C)CCCCC1	1940405277	GQFSEKLNLUHCQJ-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCCC2(C)CC2)CC1	1940870224	RRMFDYGLQPVKDP-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC[C@](O)(CCC[C@H]1CC1(C)C)C1CCCC1	1940873730	CYQWCNCIQZEXDR-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CCCCCC2CC2)[C@@H]1C	1941576969	WFGZAEAJLZKDJW-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)NCCC1(C)CCCCC1	1945432565	PKWYEYFUKQGZQK-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CC[C@H](C)[C@H]1C(C)C	1947525118	OGDXFPJXYFDXPR-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCc1cscc1[C@@H](N)C1=CCCCCCC1	1948011234	JEYXHUPKHJDBMR-HNNXBMFYSA-N	249.423	4.591	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@H]1CCCCC[C@H]1C	1948328337	ULRPRXSHZUSERF-UGUYLWEFSA-N	239.447	4.616	0	10	BJAE	
CCCC1CCC(N)([C@@H]2CCC(C)(C)C2)CC1	1949453259	ORTNOGPSYGYSSS-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](O)[C@H]1CCC2(CCCC2)C1	1949453797	SFSHVNYDXZCIQL-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@@H]1CC[C@H](C)C1	1949522385	YZHBWSAUKXZCDP-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@H]1CC[C@H](C)C1	1949531478	PUOLLZHPSVSQLV-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CCCC(C)(C)C	1950970349	IAXMOMVREKMFIS-KKUMJFAQSA-N	237.431	4.523	0	10	BJAE	
CC(C)=CCc1ccc(Cl)c(Cl)c1	1954018672	CPRPBRMEGLFVOD-UHFFFAOYSA-N	215.123	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1CCC2(CCC2)CC1	1968858853	HGGNBOTZCTWFOM-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](NC1CCC2(CCCC2)CC1)C1(C)CCC1	1970539168	YNJJOVVOVLINOT-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CC1(CNC[C@@H]2CCCCC23CCC3)CCCC1	1973671662	DDTYDBWTOWOVJP-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCC1CCC(NCCC2CC3(CCC3)C2)CC1	1973741912	DTPZNRIHZJWILI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCCC12CCC(CC1)C2	1973946407	ZLVWVDFZTPHTQA-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)NCC1(C)CCCCCCC1	1981428456	QZKVRUGYOKADDP-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cc(C(F)F)cs1	1983693335	GTALFXGTTZYFJH-WPRPVWTQSA-N	248.338	4.545	0	10	BJAE	
CC(C)=CCc1cc(C)ccc1C(F)(F)F	1986449218	VDUZZSYWLBYCQN-UHFFFAOYSA-N	228.257	4.523	0	10	BJAE	
CC(C)=C(C)CNc1ccccc1C(C)C	1989619506	NFAKJKKBFXHJFE-UHFFFAOYSA-N	217.356	4.578	0	10	BJAE	
CCCNCC(CC)(CC)CC(C)=C(C)C	1989651803	MYGWMUKWWFNWND-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CCCCC[C@](N)(CC)CC1CC(C)(C)C1	1990093192	INBCHCFXKWFYOK-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
C=CC=CCCCc1cc(C)cc(C)c1C	1994009343	PZFHYDBRIAMGPV-UHFFFAOYSA-N	214.352	4.677	0	10	BJAE	
Cc1cc(Cl)cc2cc([C@@H]3CC3(C)C)[nH]c12	1994129687	FRLZMJWZJSBTNT-NSHDSACASA-N	233.742	4.643	0	10	BJAE	
C[C@@H](CCC1CC1)N(C)C[C@H](C)CC(C)(C)C	1995742739	AAUCTCNVVSWZJI-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CC(C)C[C@H](C)CN[C@@H](C)C1(C)CCCCC1	1995979600	FFOGUFIKFHAKJT-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@](C)(O)C1CCC(C)(C)CC1	1996562980	ZLSIOBAXGQMSQQ-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2(C)CCC2)CC1	1997115281	GZKWUVFSEPGHGP-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCC=CCNC[C@H]1CCC[C@H](CC)CC1	1997215829	RBWIVUCAIGUEKE-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
OC1(CC[C@H]2CCC=CCCC2)CCCCC1	2000011774	PQFFZKLZXBGLDQ-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@H]1CCCC(C)(C)C1	2000052999	ZQBLOASGAMQEOY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CCC[C@H](C)C1	2000210860	DYDWWXDJZWREEF-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@](CC)(CCCC1CC1)CNCC	2000506768	BWBKMMQLARFGKC-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@](CC)(CN)C1CC(C(C)(C)C)C1	2002336728	TXUCRNJZHQQVDD-ZBCRRDGASA-N	239.447	4.604	0	10	BJAE	
CC1CCC(C(=O)C2(C)CCC(C)CC2)CC1	2007682902	HKURODSGJTYKQK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@H](NC)C1CCC(CCCC)CC1	2007857912	CTZORWWOLWQMQW-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCC[C@H](C)C2)C1	2009716594	WBIWQCXUOUKFKV-JWMHWRSXSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C1=CC[C@H](CC)CC1	2010715445	BVVBOYNFOJGHCX-DZKIICNBSA-N	238.415	4.700	0	10	BJAE	
Cc1ccc(Cl)c(NCC[C@@]23CCC[C@H]2C3)c1	2010996279	YETFZLRXXXOVOK-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCCCCC12CC2	2011272583	STMGXOQNNYXWGP-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
C[C@H]1C[C@H]1CCCC1(N)CCCCCCCC1	2011575197	GFXARGOPKFBRPC-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CC(=O)C[C@H](C[C@@H]2C=CCCCC2)C1	2012097267	YNYCRRGEAGJJAN-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1C[C@@H]2CC[C@H]2C1	2015204459	WZCAXLUDBJYUDQ-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CCC(C(C)C)C(C)C)CC1CC1	2015347034	MCBXIPJKOLTBBS-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CC(=O)C2(C)CC(C)(C)C2)CCC1	2015588836	JHKDLHRMDCSSFD-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC1(CC2(N)C[C@H](C)C[C@@H](C)C2)CCC1	2015641551	GOOYLUXMRNCGLG-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCCN(CC1(C(C)C)CCC1)[C@H](C)CC	2017125670	QELCUIPCMYKRSP-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC2(C(C)(C)C)CCC2)C1	2017129830	TZPUTWTYBQYJLK-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CCCC1(C)C	2017476734	AHPIIDXZYQQECT-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(CC(C)(C)CNC(C)C)CC1	2017725067	PWOCKUNCMIUCJB-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CCC(CC)CC1)[C@@H](C)CC	2017730068	CNCCCMUBAYYCPY-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CCCCNC2CC2)CC1	2017733621	MHAVSWJVKVKQQQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@H]2CCCC[C@H]21	2018128955	GWYKPZNUVDSKLN-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](CC)NCC1CC(CCC)C1	2018132058	WSHFJTHTBIPXEW-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H]1[C@H]2CCCC[C@H]21	2018136156	IDLIIVSUBKCQQW-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@@H](C(C)C)C2)CC1	2019003137	WVXJBGVZADARRK-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CN(C1CCCCCC1)[C@H]1C=CCCCCC1	2019123549	GSMFIJHSBUMSMQ-HNNXBMFYSA-N	235.415	4.530	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@H](C)C(C)(C)CC)C1	2019199865	MVLOTKDBARURSC-KFWWJZLASA-N	239.447	4.712	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C[C@@H](C)C1CCC1	2019354501	XFGZQMCSWJLEDA-GDBMZVCRSA-N	239.447	4.569	0	10	BJAE	
CC=C(CC)C1(O)CCC(C(C)(C)CC)CC1	2020974376	PMKWZWSOKKNSQN-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(O)CCC[C@H](CC)CC1	2022448368	NJRYLMMMNOGQNC-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](N)C[C@H]1C[C@H]1C1CCCCC1	2022485796	ULTRQMOXQHPXIK-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC1(CC(=O)C[C@@H]2C[C@@H]2C(C)(C)C)CCCC1	2022557732	QKJKZADBOMTZEL-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CCC2(O)CCCCC2)C1	2024114519	CFNZSRUDCIYRPP-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)Cc1coc2c(C)cc(F)c(F)c12	2026533310	KFKBWHXCASWONE-MRVPVSSYSA-N	238.277	4.608	0	10	BJAE	
CCCCc1ccc(N[C@@H]2C[C@@H]3CCC[C@H]32)cc1	2027319264	KVFJCLCKAOVEIC-USXIJHARSA-N	243.394	4.630	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CCCC1CCC1	2027517165	DKUWIDUWLLRBMD-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CCCc1ccccc1[C@H](O)CC(C)(C)C(C)C	2027899104	MXEDDJQOOQZARN-MRXNPFEDSA-N	248.410	4.745	0	10	BJAE	
Cc1cc(-c2cccc(C(C)(C)C)c2)ccc1N	2028089058	IAJXXYVCCWXNCY-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CCCN[C@@H](C=Cc1ccccc1)CC(C)(C)C	2028583546	LGYMPGXVSGPRTJ-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)[C@H]1CC12CC2	2028635177	XVTFJAQHRGUFOE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC1CC2(CCCCC2)C1	2028876532	BSQIWVOMMPJIMU-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC(C)(CCN[C@@]12CCCC[C@@H]1CCC2)C1CC1	2031789245	PRFBYTUCYSPNCV-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H]1CCC[C@H]1C	2032476508	SCPXUGIVNWCVPR-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	2033066505	ZWPLBFHOCWMTPA-JJTUDDRGSA-N	249.442	4.514	0	10	BJAE	
CC=C[C@@H](C)N[C@@H](C)c1ccc(CCCC)cc1	2034975663	ACOQJJAJFKDDCD-CABCVRRESA-N	245.410	4.644	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H](C)[C@H]2C(C)C)cc1	2035412151	RVAAVVCUXIQILU-KBRIMQKVSA-N	245.410	4.732	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)C1(C)CCCCC1	2035592524	NSQLBRBSLLTGBR-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@@H](N)c2ccccc2C(C)C)CCC1	2037055989	ZRAULMSTCKBSOU-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
C=CC=CCC[C@]1(N)CCC[C@H](C(C)(C)C)CC1	2037136015	SSUDIJOAUJTWIG-RDJZCZTQSA-N	249.442	4.833	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)C[C@H]1CC=CCC1	2037167467	WHHMOLGKTPQDDH-YQQAZPJKSA-N	249.442	4.667	0	10	BJAE	
N[C@@]1(C[C@@H]2C=CCCC2)CCC2(CCCCC2)C1	2037306418	OOEWHIHAPBGPHP-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
N[C@H](CCC1=CCCCC1)CC1CC2(CCC2)C1	2037971722	DTYACIOCAJTRJE-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CCCC[C@@H]1CC1(C)C)c1ccccc1	2038134927	UERUSQNMUVWALP-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
CCc1ccc(NC2C[C@@H]3CCC[C@H]3C2)cc1C	2038623490	TZDHTVBPINQDSX-GJZGRUSLSA-N	243.394	4.548	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC[C@H]1CCC[C@@H](C)C1	2043190603	KDVADRGESVBWIR-VYDXJSESSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC=CCCC2)C1	2045313078	URYOFBPMOCGQAX-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCCCCN1C[C@@H]1CCC=CCCC1	2045315307	SHXKYBBWTBNLRX-IAGOWNOFSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(F)c2ccc(N)cc2)C1	2045506872	NLZQAQGVZGBGRV-CJNGLKHVSA-N	249.373	4.670	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CC1CC2(CCC2)C1	2045682477	NAAHWIDZQUHIIE-CJNGLKHVSA-N	246.394	4.518	0	10	BJAE	
CCc1cccc([C@@H](NC)C(CC)(CC)CC)c1	2045728269	SPVVKQRWQGVEDF-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCc1ccc(OC[C@H]2CC23CCCCC3)cc1	2047054817	HDIGUCWIFOIILH-OAHLLOKOSA-N	244.378	4.598	0	10	BJAE	
Cc1ccc2c(ccn2C[C@@H]2CC23CCCC3)c1	2047061085	CCLQXKUVYNOADW-HNNXBMFYSA-N	239.362	4.530	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@H]1[C@H]2CCCCC[C@H]21	2048445624	STRBRDCXUHMPDK-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@H]1[C@H]2CCCCC[C@H]21)c1cccc(N)c1	2048488855	QRALJGGWHPFRQP-KKBVYLPWSA-N	243.394	4.589	0	10	BJAE	
CCN[C@H]1CCCC[C@H]1CC1CCC2(CC1)CC2	2049850569	YTSYNLHHCNNVGS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@]12CCCC[C@H]1CCC2	2051400951	GMPWMEULYNQLLN-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1ccc(C(C)(C)C)cc1	2051409402	QPUDGQYTMXBCQK-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
C[C@H]1CCCC[C@H]1N(C)C1CCC2(CCC2)CC1	2051646623	UKQUWLKWFUUIDJ-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC[C@H](N2CCCC[C@H]2C2CCCC2)C1	2051674473	KFQUAUXGNQAGPX-HOTGVXAUSA-N	249.442	4.610	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC[C@H]3CC[C@H]32)c(C)c1	2052286550	LYUSYZYNFAPDCU-ARFHVFGLSA-N	243.394	4.602	0	10	BJAE	
CN[C@@H](c1cc(C)co1)C1(C)CCCCCCC1	2052481679	SOTQLNGJEKZKCD-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CN[C@@H]1C[C@H](C)C[C@H](C[C@H]2CCC=CCCC2)C1	2055015343	KPWQWKZSOMMZPZ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)C=C2CCCCC2)CCC2(CC2)CC1	2056877473	ABWMOSGULQPFAO-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)C[C@H](C)C2CC2)cc1	2057345914	LCVYMUONTINIPW-DCGLDWPTSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](CC1CC1)C1=CC[C@H](C(C)(C)C)CC1	2061096994	YXNFSTXTYCGFPQ-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(N)(C2=CC[C@H](CC)CC2)CC1	2061112972	KOEICHFQCHGBMR-UQPPLGOBSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@@]1(N)C1=CCC(C)(C)CC1	2061120197	VTRPJCOOIIMQBN-FRFSOERESA-N	249.442	4.523	0	10	BJAE	
C=C=CCCC(=O)[C@H](c1ccccc1)[C@H](C)CC	2061558184	SCTUKPXYARHPNN-PBHICJAKSA-N	242.362	4.507	0	10	BJAE	
C=C=CCC[C@@H]1CCCCCCC[C@H]1NCCC	2061564321	YJVCBGIYFLZKSW-IAGOWNOFSA-N	249.442	4.836	0	10	BJAE	
Cc1ccc(CC2CC(=C3CCC3)C2)c(F)c1F	2061728881	PMEGQLHWTKJUQE-UHFFFAOYSA-N	248.316	4.706	0	10	BJAE	
C[C@H]1CC(N[C@@H]2CCCCCC23CC3)C[C@H](C)C1	2062018251	RBNZKXSPWHZKRX-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H]1CCCCCC12CC2	2062022200	BNDVXJWXXMJVLW-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNc1ccccc1C(C)(C)C	2062653146	QWKWQYCAIYTGJT-KGLIPLIRSA-N	245.410	4.832	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063486367	IUFLUCCLXVAJPT-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCC1(C2CC2)CCCC1)C1(C)CCCC1	2067508573	MYHOQWAQQGCEGM-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC(NC[C@]2(C)CC=CCC2)C1	2067983838	ZDBRZNGTCGPGNI-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CCC1)[C@H]1CC12CC2	2069341657	HQBDRJHGHLCKKP-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(CNC[C@@]2(C)CC=CCC2)CCC1	2071934054	SFLCJKTVTTTWJS-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC2C[C@@H]3C[C@H]3C2)CC1	2072682871	YPVQKPHSBCFIFB-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CNCCC1=C[C@H]1CC[C@H](CC)CC1	2072811541	FRKDWIHBWKSUIM-ZOBUZTSGSA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC(C=C2CCNC[C@@H](C)C2)CC1	2072818270	LGBBXJUCDAWTFI-FHERZECASA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CNC3(CCCCC3)C2)CC1	2072819905	USFVWEHGQLEHHC-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@]23CCCC[C@@H]2C3)CC1	2074115335	XDYVLQOEGCQICX-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
C1=C[C@H](N2CCCC23CCCCC3)CCCCC1	2074810679	QNDKMBUTQWXXBX-INIZCTEOSA-N	247.426	4.674	0	10	BJAE	
C[C@H](C=C[C@@]1(C)CNC(C)(C)C1)C1CCCCC1	2078848344	SSYBHOKGZICRCQ-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](O)c1ccc([C@H](C)CC)cc1	2079393923	UFFYHQATUIKBIH-VZEFYGNVSA-N	246.394	4.670	0	10	BJAE	
CCN(C[C@H]1C[C@@H]1C(C)(C)C)c1ccc(C)cc1	2080083278	PBOYVBYJGLEVOZ-ZBFHGGJFSA-N	245.410	4.504	0	10	BJAE	
CCC1(C[C@]2(N)CCC[C@H]3CCCC[C@@H]32)CCC1	2081135756	FDGHHZKSKBZRBF-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C/C=C/CCCN(C)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2081147844	KJIRNLQRWVHSGC-BKQWVRJSSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)C2(CC3CC3)CC2)C1	2082986196	LGODWFCWHGCVQB-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC1C2(CC2)C12CC2	2085941008	NERIHNPXQBSUMZ-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCCCCC[C@](C)(N)CCCCC1CC1	2211119007	LPDRJAZSSNNGMV-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@@H](C)C1	2212630885	HVFMCHILLCNQQN-ZWNOBZJWSA-N	237.774	4.503	0	10	BJAE	
Cc1cc(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)cs1	2213296258	INPMRFXJYPHMNZ-WDNDVIMCSA-N	249.423	4.685	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)[C@H](C)C(C)C	2213578017	HXDRCIMVGUBRGH-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)c1sc(C)cc1C	2213607266	RHYCAQPEFACBDE-GXFFZTMASA-N	248.391	4.540	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)c1sc(C)cc1C	2213607268	RHYCAQPEFACBDE-ZWNOBZJWSA-N	248.391	4.540	0	10	BJAE	
C[C@H]1CC[C@@H]1C(=O)CCCCCCCC1CC1	2216863566	QAIBWJWAWJFHGD-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@]1(CNC2CCC2)CCCC1(C)C	2217132671	ZYFMLPCCZKTYEY-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCC1(CNC2CCC2)CCC1	2217135413	IREYTGFIXXZYLW-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](C)(CCC1CCCC1)CNC1CCC1	2217143098	ZBWKUVKDKJUTOT-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
O=C1CCCCC[C@@H]1C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218327920	OKMBEALBXLWXKT-QKPAOTATSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](C=C1CCC[C@H]2CNCC[C@H]12)CC	2218420279	IPNXCICRSDEEEG-HYVNUMGLSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC[C@@H](n2ccc3cccc(F)c32)C[C@H]1C	2220310950	ODFOCXAPWXTMNX-YRGRVCCFSA-N	245.341	4.778	0	10	BJAE	
CC1=CC[C@@H](CN[C@H]2C[C@H](C)CC(C)(C)C2)CC1	2221665886	GNJTYKVJDFKHHA-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](c1c(C)cccc1C)C(C)(C)C(C)C	2222007877	YXUMTWINSJAFCS-MRXNPFEDSA-N	247.426	4.636	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2C[C@H]3C[C@@H]2C3)CC1	2222309084	BMHXBGAKOHEATB-MTERUZRBSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@H](C)c1ccc(C)cc1	2223955000	NRFMKGMZRBULNY-WBVHZDCISA-N	246.394	4.596	0	10	BJAE	
CCCC1(C(=O)c2cc3ccccc3s2)CC1	2246911601	YLPAIUDLLINPFN-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](O)C(C)(C)C(C)(C)C	2247167423	XCPUZZZCHVIWOC-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1C=CCCC1	2248866756	RKWRECRUCAFZQM-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@H](C)CC(C)C)NCC	2250352420	LXJJUVDZRWEBEG-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC=CCCCc1ccc2cccc(Cl)c2n1	2252686784	YAJRSCWHNHHTLQ-UHFFFAOYSA-N	245.753	4.787	0	10	BJAE	
CC1(C)CCC[C@H](CC2CC3(CCCC3)C2)[C@H]1N	2254120821	RRLCSAAZJBLLEH-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C1CCCC1)C1CC2(CC(C)C2)C1	2254447987	OTVVPJDJVDXUKP-MYGHFWBESA-N	249.442	4.501	0	10	BJAE	
c1ccc(C2CC2)c(NC[C@H]2CCC23CCC3)c1	2254958764	IKBIBVKNVRICLF-CQSZACIVSA-N	241.378	4.556	0	10	BJAE	
CCN[C@H]1[C@H](CC2=CCCCC2)CCCC1(C)C	2255046690	ABXRHVTZNSELJW-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@H]1CCCC12CC2	2255221299	ABLKFFZGPJJNBH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC1(NCC[C@@H]2CCCC23CC3)CCCC1	2255290946	KXFUPSYJNYMTLH-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC[C@H]2CCCC23CC3)C1	2255328918	KOQSBRDJUFWYPQ-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@H](N)C1CC2(CCC2)C1	2257280181	FKPFURAFWXCOJI-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1CNc1cc(C2CC2)ccc1F	2259112311	FSFAJGZSGJNIMC-ZDUSSCGKSA-N	247.357	4.551	0	10	BJAE	
CCC[C@H](NCC)c1cccc(C2CCCC2)c1	2260723160	JOBWTAAOGLHMMG-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)C[C@]23CCC[C@H]2C3)C1	2261197439	ZANLYYVREBFLTP-TXBNBULBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(CC(C[C@@H]3CCC(C)(C)C3=O)C2)C1	2261449466	KXQAMCTXUNYNCY-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(N)([C@@H](C)CC2CCC2)CC1	2298873339	IXCMCPUKLBAQHT-HLIUYOAVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(O)CCCC(C)C	2300471507	JONWUBBUTVRPSE-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CC(=CC[C@H](C)[C@@H](C)C(=O)O)CCCC(C)C	2300917737	DCSOMIKLAWDQDJ-UONOGXRCSA-N	240.387	4.506	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CC1CCCCCC1	2301139275	FDRWJZSXRHMIDB-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(O)C[C@@H]1CCC=CCCC1	2301896512	IZRLWGAOGKIPTN-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H](C)C[C@H](CCCC1=CCCCC1)NC	2302360484	BBCSFMGKRYGVGE-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC[C@@]2(C)CCCCN2)C1	2302617332	HOWGNGBNGNDEGD-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@@H]1CC[C@H]1C(C)(C)C	2303505762	KJBAUNRFGKNYRQ-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H](C)CC(C)(C)C)CC1	2303597782	UQPMEZCYWDASDX-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC1CCC(N)(CC[C@H]2CCC(C)(C)C2)CC1	2304407450	IARKMPYCFZZGMP-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@](C)(C[C@@H](CC)CCC)C(C)C	2307842143	HWZFAMZDXSHAEA-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@@](CC)(C[C@H](CC)CCC)C(=O)O	2307894586	MZCQXJWDDVMFQS-HIFRSBDPSA-N	242.403	4.874	0	10	BJAE	
CCC[C@H](CC)C[C@H](C[C@@H](C)C(C)(C)C)NC	2307896219	YSHSXECFVUMSAR-ILXRZTDVSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C[C@@]23CCC[C@@H]2C3)CC1	2310884209	MOPMROZCFQJEBX-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	2311479176	HMMHNCGITSLYQI-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)[C@H](CC)c1ccccc1	2312466759	WTEPVQRXKLCMSZ-NUEKZKHPSA-N	244.378	4.576	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)CC[C@@H]2C[C@@H]2C1	2312596449	ITZVOEUATWHEHS-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@H]2CC[C@@H]1C2)CC1CCCCC1	2313162727	TWLRZNKIXZZEQP-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C(CC1CC1)CC1CC1	2313692879	RWBMJWMYPCBXES-BLLLJJGKSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H](C(C)C)C1CC1	2315889537	VKZZZHWPANVBAF-KRWDZBQOSA-N	245.410	4.965	0	10	BJAE	
CC(=CC[C@]1(N)C[C@H]2CCC[C@@H]21)CCCC(C)C	2316537478	QVQRRPFVVKZQKT-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CC(=CC[C@H](N)[C@]12C[C@H]1[C@H](C)C2)CCCC(C)C	2316551098	RRZJMGALDIFSOJ-LTIDMASMSA-N	249.442	4.523	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CC1	2316873779	IDZGBXTVVNRMTN-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](NC)c1ccc(C2CCC(C)CC2)cc1	2317107588	PBHQKDKBWDWRNY-KVULBXGLSA-N	245.410	4.651	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1cc(F)ccc1C(C)C	2317927325	BGUAODHSNWWJBZ-QWHCGFSZSA-N	249.373	4.797	0	10	BJAE	
CCc1cccc(CC)c1N[C@@H](C)[C@@H](C)C(C)C	2317995286	OWFOWZPKSBNDET-KBPBESRZSA-N	247.426	4.904	0	10	BJAE	
C[C@@H]1[C@H](Nc2cccc(C3CCC3)c2)CC1(C)C	2318256121	UHRDKNYQBOCAON-MLGOLLRUSA-N	243.394	4.801	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H]1CC(C)(C)[C@@H]1C	2318286706	WKCUUBDGBQWIPR-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](O)C[C@H](c1ccccc1)C1CCCC1	2319679828	KBTJYBFAABKNBG-IAGOWNOFSA-N	246.394	4.512	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CC[C@@H]2C(C)(C)C)c(C)c1	2320150979	BDLDLYKVALWOFN-CABCVRRESA-N	244.378	4.558	0	10	BJAE	
Cc1c(F)cccc1NC[C@H]1CC[C@@H]1C(C)(C)C	2320239477	DOLPXWZUZDEXNZ-OLZOCXBDSA-N	249.373	4.618	0	10	BJAE	
CC(=C[C@H]1CC[C@H]1C(C)(C)C)c1cccc(N)c1	2320239665	GIUJNNOKCPPBJR-GDBMZVCRSA-N	243.394	4.744	0	10	BJAE	
CC(=C[C@H]1CC[C@@H]1C(C)(C)C)[C@H]1CC[C@@H](N)CC1	2320253551	MRSWEAMWFGNSRA-WCVJEAGWSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC(C)=C(C)C1)C1(C)CC1	2320413006	LNHIQIRNYXZZSI-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1	2320420084	MXRJBVQWXGLPGZ-RRFJBIMHSA-N	248.410	4.764	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@@H]3CCCC3(C)C)(C1)C2	2321578164	MWEGPEXQZNMWCC-IGEOTXOUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H]2Cc3ccccc3N2)C1	2321607935	KDXLHLOHUVNVGU-HIFRSBDPSA-N	243.394	4.630	0	10	BJAE	
CCCC/C=C\CCCCCCCCOC=O	33842283	MAOWSVNIDSZOBR-WAYWQWQTSA-N	240.387	4.637	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CCCCC2)cc1C	37202300	LETGXCKTFLUYAY-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
CC(C)(C)c1ccccc1NCC1CCCC1	41258026	IGFXWEVHQQUFOS-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@H]1CCCC[C@H]1CC	68848422	MKTGQPYQGQTNIQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cc(F)ccc2C)C1	71105837	FOCGCUJAWZEKFD-GXTWGEPZSA-N	235.346	4.515	0	10	BJAE	
CCCCCCn1ccc2cc(OCC)ccc21	75232521	WZHZMKXQPHRXLC-UHFFFAOYSA-N	245.366	4.620	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC(C)(C)C2)cc1F	79971153	BZKITPNAMWBYSH-ZDUSSCGKSA-N	235.346	4.515	0	10	BJAE	
CC(C)c1ccc(O[C@@H](C)c2ccccc2)cc1	85151348	XFTKWYCUXDWOMV-AWEZNQCLSA-N	240.346	4.950	0	10	BJAE	
CC1=C2C=C(C(C)C)CC[C@H](C)[C@@H]2CC1	85826914	HLXDFKWNOTZIEI-FZMZJTMJSA-N	204.357	4.725	0	10	BJAE	in-vitro
CCCC[C@@H](CC)C[C@@H](CCCC)NCC	86315452	KMAHBVOIKQPLEO-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC[C@@H](C)CC2)c(C)c1	86887875	DKXIYDLUOXLBEP-MLGOLLRUSA-N	245.410	4.993	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(C(CC)CC)CC1	87158869	BRGOFBQDMDLCKS-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2ccc(C)c(C)c2)C1	87984613	HWKXRSFVYMMTFV-GJZGRUSLSA-N	244.378	4.703	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)c2ccc(C)cc2C)C1	87988322	ODDHXPLOIKFULP-VYDXJSESSA-N	245.410	4.520	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](CC)c1ccccc1	88293737	OUMLXPJTMDTLHR-LZWOXQAQSA-N	233.399	4.552	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCC[C@@H](C)C2)cc1C	89604325	AFEFZJXISOKNEF-IUODEOHRSA-N	231.383	4.542	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1cc(C)ccc1C	104048133	CLHNMMIROVJABT-HOCLYGCPSA-N	234.383	4.553	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)CC2CCCC2)cc1	109785483	YUMKXCWBLIVKPS-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CC[C@@H](Nc1ccccc1C)c1ccccc1F	122470463	XPVPDECOUOJMPW-OAHLLOKOSA-N	243.325	4.697	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@H]1CCC(C)(C)C1	131400294	TVLGGIBGQPLKDW-AWEZNQCLSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(N)ccc1-c1ccc(C(C)(C)C)s1	132078179	GRLZZGIHTKQZFQ-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
Clc1ccc(Cl)c(Nc2ccccc2)c1	146410635	ULOJZLBNDCOWBN-UHFFFAOYSA-N	238.117	4.737	0	10	BJAE	
CCN[C@H](CC1CCCC1)c1cccc(C)c1C	162704344	OEFMTHOVDIUTEA-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)C1CCCCC1	168023670	YWTDIAZZLHOQQM-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CSc1ccc2oc3ccc(Cl)cc3c2c1	204937834	JEGVZZILKQVMMY-UHFFFAOYSA-N	248.734	4.961	0	10	BJAE	
CCC(C)(C)CNc1ccc(C(C)C)cc1	205370440	VDUOZJNYSKCYDM-UHFFFAOYSA-N	219.372	4.658	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(Cl)cc1Cl	205427633	KGWHDRASOQZBDW-SNVBAGLBSA-N	246.181	4.984	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C(C)C)P1[C]1[CH][CH][CH][CH]1	209856279	DXTLFFRONSWIHM-XYPWUTKMSA-N	235.331	4.674	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)c1ccc(C)cc1C	212639286	IVIUFAQUVVEGKB-NVXWUHKLSA-N	247.426	4.575	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCC(C)(C)C[C@@H]1C	224970156	AWYJHZAGBGPWIB-GXTWGEPZSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@@H](C)C1	225998677	RXANVQZZZMNKJN-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
CC(C)CC[C@@H](C)NCC[C@@H]1CCC[C@@H](C)C1	226859520	VSGDLXUGIUAUKB-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H](C)c2ccc(C)o2)c1	232228247	AJKGUVGMBDBOCK-NSHDSACASA-N	249.741	4.723	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)C1(C)CCCCC1	233651372	NIQYMJZDDUBNIP-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC[C@H]1CCC[C@@H](Oc2cccc(C)c2C)C1	234086995	HYPXQRVHYDALCS-LSDHHAIUSA-N	232.367	4.651	0	10	BJAE	
Cc1cc(C)c([C@H](N)C2(C)CCCCC2)c(C)c1	235888658	FPTYPWZXXVEZBS-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CCC(C)(C)C	300809642	FRTMGUXCNSRTAD-UONOGXRCSA-N	227.436	4.747	0	10	BJAE	
CCCCCC(C)(C)CNCCC1CCCC1	302275318	SHVUUYRJFUAQBE-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)C[C@@H](C)n1ccc2ccc(Cl)cc21	304526998	PZPGJCUTVOPBMN-LLVKDONJSA-N	235.758	4.902	0	10	BJAE	
CC1(C[C@H](O)[C@@H]2CCCCC2(C)C)CCCC1	310348030	GKQVTFJVMGIDSJ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1CCC1)CC1(C)CCCC1	310453030	YKWZAHRKOFIXLW-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc([C@H](O)C[C@@H]2CCC[C@H](C)C2)c1C	311136114	RZRMDIUYAIMXFT-XGWLTEMNSA-N	246.394	4.553	0	10	BJAE	
C[C@@H](CC(=O)c1ccsc1Cl)C(C)(C)C	312571108	JDIOFMWDUSKHSB-QMMMGPOBSA-N	244.787	4.657	0	10	BJAE	
CCC[C@H](C)C1(CNC(C)C)CCC(C)CC1	317653988	SIRBLSJENIMBRP-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC(C)C)CCC[C@H]1C	317845578	SCUAUSMYVYEZMZ-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cccc2ccccc12	319965944	DJUOEGLTXKAJCL-OLZOCXBDSA-N	240.346	4.705	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1scc(C)c1Cl	320130369	ZFQADZKSMDLEBN-CBAPKCEASA-N	244.787	4.575	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCCC1(C)CCCC1	383502086	FMBIJDDKCUBNPJ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(O)CCCC[C@@H]1C(C)(C)C	383513360	HCKIVHDJMFEWTC-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC/C=C\CN[C@H](C)c1ccc(C(C)(C)C)cc1	385019165	OHELQJVTTVYSEF-WBTMPAOCSA-N	245.410	4.601	0	10	BJAE	
C1CCCC(CCN[C@H]2CC3CCC2CC3)CC1	394520252	ADLRHEJXRFKONT-JCYILVPMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CC23CCCCC3)CC1	395677421	QRPUKOXZSNDRBI-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCOc1c(Cl)cc(CC)c2sccc12	396188806	KRMVKAYNZSNFFZ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
COc1cc2c(C(F)F)ccc(Cl)c2s1	396289555	LENZZJHGHUJIGX-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1c(C(F)(F)F)sc2ccc(F)cc12	396297095	KTMYIPXFQNARBH-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](C[C@@H]2CC=CCC2)NC)CC1	402315592	ILFRXLZREHVSGZ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)CC(C)(C)C1CC1	405753007	SILOMNNDXFXLCV-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCCC1CC1)c1ccc(C)c(C)c1	405884300	WAKXMMUFCNSLFQ-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
Cc1cc(C(F)F)c(Cl)c(C(F)F)c1	575677658	UWEAHKDVGPYVGT-UHFFFAOYSA-N	226.600	4.524	0	10	BJAE	
CCCc1ccc(NCC2(C(C)C)CCC2)cc1	687271256	UHIGZFVPVSBVKV-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
c1cc(NCCC2CCCCC2)cc(C2CC2)c1	690074860	FXYBNJZJQXHAPK-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)CCC2CCC2)c1	691679834	LPODJGWBWKHUPW-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@@H](C)C2CCC2)cc1	692694188	ONRMQVAVBQKWMV-ZDUSSCGKSA-N	244.378	4.504	0	10	BJAE	
CCCCC[C@@H](C)[C@@H](CC(C)C)NCCC	695053334	MQYCUNJASSRXBP-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cc(C)ccc1Cl	696596755	ZYJUVYJLZZKTHL-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@@H](CC(C)(C)C(C)(F)F)NCCC	697135901	PCDGFJXXRHOGFY-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC(C)=CCC[C@]1(O)C[C@@H](C)CC[C@H]1C(C)C	697598572	JUPGXKRDYCURQL-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CC(C)=CCCCc1ccc(C)cc1Cl	698105450	SYHZYYMBCDFFBT-UHFFFAOYSA-N	222.759	4.937	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cccc(C(C)C)c1	701545341	FMZJVMGVYMQEQK-XJKSGUPXSA-N	234.383	4.670	0	10	BJAE	
CC(C)(C)NC[C@]1(C[C@@H]2CC=CCC2)CC1(C)C	702202305	AGKKIIKRKJOQDU-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1CCCC[C@@H]1C	704879448	RLKMPKIFYYCLHJ-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CCC1CCCC1	704959059	UEUCAAQGGMYCQU-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
C[C@H](N[C@@H](C1CCC1)C1CC1)C1CCCCCC1	705355295	MJDPKKNXDUEMKY-GUYCJALGSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@H](N)[C@H](C)c1ccccc1)CC(C)(C)C	709127395	QKDNKVHJURJRRN-FMKPAKJESA-N	247.426	4.580	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C12CCC(CC1)C2	711097224	LZXOLSQCVFMFOY-HWOWSKLDSA-N	237.431	4.501	0	10	BJAE	
CCCc1ccccc1N[C@@H]1C[C@@H]2CCCC[C@@H]21	712411800	ZUJSUFDRDZIRHY-YQQAZPJKSA-N	243.394	4.630	0	10	BJAE	
CCCC1CCC(N[C@@H]2C[C@H]3CCCC[C@H]32)CC1	712524120	QUACPSYATKLGAG-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
CC(C)CNCC1(CC(C)(C)C)CCCCC1	713137657	ZETYJAJRKSWHAR-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](CC(C)(C)CC)NC	713174946	LFXSSIAVMBFOIE-CVEARBPZSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H](CC(=O)CC(C)(C)CC)C(C)(C)C	713341147	AWAFTBVJRZXUOI-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@@H](C)C(C)(C)C	713693943	JBJXTZBGWVRHPT-TWEVIJGYSA-N	237.431	4.559	0	10	BJAE	
C=C/C=C\CCNc1c(Cl)cccc1Cl	713723852	ZTMSZKHCLRFGPB-ARJAWSKDSA-N	242.149	4.538	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC2(C3CCC3)CCC2)C1	717884500	HRQKCZNLZILRKU-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(CNC2CC2)CCC=CCC1	718082232	HYNNWDLPRVEADQ-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
COc1cc(C)cc(C)c1CCC(C)=C(C)C	718646351	GTVXUNAOPASSSX-UHFFFAOYSA-N	232.367	4.601	0	10	BJAE	
CC(C)=C(C)CCc1c(F)cccc1Cl	718776737	LGVQJMSWWZKMET-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(CO)CCC=CCCC1	718988183	IZAZMHWIQZWRJB-INIZCTEOSA-N	238.415	4.558	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1CC2CCC1CC2	721750830	ZKYHAXMTXNWMQO-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](NC[C@H]1CCC[C@@H](C)C1)C(C)(C)C	1645702257	DHUCJWGHNYYBDW-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@H](C)N[C@@H]1CCCCC12CCCCC2	1875419137	KZNNAPHJSXPFTI-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCC[C@@H]1CC	1900713890	SFODIXRDMJJNHT-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1sccc1CC	1905433092	FOJZCTVTAJKVBL-AAEUAGOBSA-N	239.428	4.527	0	10	BJAE	
CCCCCC[C@@](C)(O)CCC(C)(C)CC	1919947416	JOGKOWSAGJUZCG-OAHLLOKOSA-N	228.420	4.924	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@](C)(O)c1ccc(C(C)C)cc1	1920024308	DCFGGOBSGMAXGZ-VBQJREDUSA-N	248.410	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H](C)C1CCCC1	1923882116	OIPIDTQFCXPKJV-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](C[C@@H]2C=CCCCC2)C1	1925886244	CCCBAXACMAYZBS-NCOADZHNSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@@H]1C=CCCCC1	1925920950	MCIACESJSSIKKE-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cccc(C(C)C)c1	1926384058	PHMFQTKETNJKIS-MRXNPFEDSA-N	233.399	4.636	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1cscc1Cl	1927981353	YVFFUCAIKCATGT-JOYOIKCWSA-N	246.803	4.507	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CCC1(C)CC1	1935886381	HPOPGNCMHGQBPN-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCNC1(C)CCCCCC1	1938019102	IDHKNUZJKBPGRR-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
Cc1cscc1N[C@H]1CCCCC12CCC2	1938718788	MLIXUYDDQIMLIP-ZDUSSCGKSA-N	235.396	4.581	0	10	BJAE	
CCCC(CCC)NCC(C)(C)C1CCCC1	1940763279	PMVWRAMUUZLASE-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCCC2(C)CC2)CC1	1940844044	ATZRYYMDBAXMQW-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)[C@@H](CC(C)C)C(C)C	1941266629	HZGKJGLXQUTKKX-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@@H](CC(C)C)C(C)C	1941267437	RRJMKIQUNVBNKE-JKSUJKDBSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(CCCC2CCC2)C1	1941470543	RPKKQPTWEZYFDK-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@](O)(CCCCCC2CC2)[C@H](C)C1	1941579735	REEYATQRYFQCSG-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(O)([C@@H](C)CCC(C)C)CC1	1942664084	RHUPWQBCKDRCPJ-FHERZECASA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)C(C)(C)C1CCCC1	1944621618	FTVDMULISNVHHI-ZFWWWQNUSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)C(C)(C)C1CCCC1	1944646775	OKCDCMUSTZZPAD-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C[C@H]1CC1(C)C	1944748636	BQJHUXCSFURZIE-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@H]1CCC[C@@H]1C)C(C)(C)C	1944831392	KPVRJFKOZMYWOZ-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCCC1CCCCC1	1947457777	WVQLQIHSBMSYER-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(O)CC1(C)CCCCC1	1947521790	DXWCANHUCPQUGS-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC(F)(F)CC)C[C@@H](C)CC	1947893025	UYDUDMJFYGMAAA-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(N)CCCCC12CCC2	1947896141	LONGTXGIHVIVHP-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CCCCC(C)(F)F)NCCC	1948429792	MUSUXPVUZUMGOJ-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
CCCC1([C@H](N)[C@@H]2CCCC[C@H]2CC)CCC1	1948926648	DYBOWOYGXUAFPF-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)CC[C@H](N)CC1CCCCC1	1949917479	PCKZSQOLXMLSOO-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCCCCN(Cc1ccccc1)[C@H](C)C(C)C	1953350440	CRCOANFTUBXDCM-MRXNPFEDSA-N	247.426	4.723	0	10	BJAE	
CC(C)CCCC(=O)CCCC(C)(C)C	1959879734	RAYHFBYNTDZRAB-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cc(C)c(Cl)s1	1960262884	WJTOFALYEOZWBK-SCZZXKLOSA-N	246.803	4.570	0	10	BJAE	
C[C@H]1C[C@H](NC[C@]2(C)C=CCCC2)CC(C)(C)C1	1966037573	JVYJYPZHTMMWRE-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
C(CCC1CC1)CCN1CCCC12CCCCC2	1966290668	VYKZRGOFEMHEHH-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCC1(CC)CCN1Cc1cccc(C(C)C)c1	1966558374	RPKMMLALPNGFSL-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CC1(C)CC[C@@H](N[C@@H]2CCCC3(CCCC3)C2)C1	1967856105	QHTIOCQXADTWCR-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(C)c(NC2C[C@H]3CCCC[C@@H]3C2)c1	1968231052	ZZHWMASSTBJKPJ-HUUCEWRRSA-N	243.394	4.684	0	10	BJAE	
CCCC(CCC)CN[C@H](C)c1ccccc1	1968242317	HVOZCENGSBDIBF-CQSZACIVSA-N	233.399	4.554	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCCC3(CCC3)C2)c1	1968341466	MPALVBDNNNXNAC-CYBMUJFWSA-N	247.357	4.659	0	10	BJAE	
CC[C@H](Nc1cccc(F)c1C)C1CCCCC1	1968648463	OEKNVDHSJJGCOU-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC(CC2CC2)CC2CC2)C1	1970282717	XHBIWUCEHVJIAN-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CCCCCCN[C@@H](C)C1(C)CCCCC1	1975576687	YEQKGKSZXYBADS-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)CC(C)=CCl	1978639441	PZZPZGYOKNITDM-CQSZACIVSA-N	245.838	4.714	0	10	BJAE	
CCCCN(C1CCCCCC1)[C@H](C)CC	1978898078	KEMONHZLIXLAGU-CQSZACIVSA-N	225.420	4.610	0	10	BJAE	
C[C@@H]1CC[C@H](CC2CC(=C3CC3)C2)C[C@H]1C	1985534512	KEMKFFFKPMHOTA-UPJWGTAASA-N	218.384	4.949	0	10	BJAE	
CCCC1(CC(=O)C(C)(CC)CC)CCC1	1988425120	FDICDMCKBQAWAB-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)CCC=C(C)C	1988794708	LQXZUFRWUWAWCD-KBPBESRZSA-N	225.420	4.536	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1CCCC[C@@H]1C	1990091351	MOXLQQSHRVHDGD-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(CC)CN(C)[C@@H](C)CCC(C)C	1990901960	ZDGRZLUOGYGRAG-AWEZNQCLSA-N	227.436	4.569	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC=C(C)C)NC	1993588001	PRMCMFJQEMHZDI-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)C(=O)C[C@@H]1CCCC(C)(C)C1	1994025053	CIXKBDXFJAPORC-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)c1ccsc1	1995259201	KZYJKMXMTNYFJI-GXTWGEPZSA-N	239.428	4.615	0	10	BJAE	
CCc1cccc2c(C[C@@H](C)CC)coc12	1995462907	CVJYFNILYUEQFM-NSHDSACASA-N	216.324	4.584	0	10	BJAE	
CCCC[C@H](C)c1nc(CC2(C)CC2)cs1	1995470386	WWDPWPJJSWCPEO-NSHDSACASA-N	237.412	4.779	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CCCC2(CCC2)C1	1997040082	PZFRCWRTASYKAJ-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C(C)(CC)CC)[C@@]1(C)CC=CCC1	1997551446	LNEMGTUNEJYZLP-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)[C@@H]1CCCC(C)(C)C1	2000026550	DHBLTSKQICWANC-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCCN(CC1(C)CCCCC1)[C@@H](C)CC	2000901303	XRKHTKZBNQZQPC-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@H]1CC12CCCC2	2001270492	CWJUXESYPDEYPC-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2002150285	FITLNMNJTHKCHB-FOLVSLTJSA-N	234.383	4.518	0	10	BJAE	
CCC1CCC([C@](C)(O)[C@@H](C)[C@H](C)CC)CC1	2002929330	LJFQCOIQEJZDNB-AKZYDZMLSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)CCCC2CCC2)C1	2003012800	CGCHJZNCQASFSD-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)N[C@H](C)[C@@H]1CCC[C@@H](C)C1	2003028091	SOULHSMMRJDAIL-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](O)[C@@H](C)CC)CC1	2003100556	RHADXBDSXYLFMS-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H](CCC)C(C)C	2004231452	PYDDNULWSBDXPG-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CC1=C(C)[C@@](N)(CCCCCC2CC2)CCC1	2006961928	ODOUZFWVEFQROT-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C=C1CCCCC1	2007963275	IOUUDECESWECDO-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CCC[C@@H](CC)CC1	2009570617	AWVYVUWZRJRGQD-SZWGIHMLSA-N	236.399	4.908	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H](CC)CCCC	2009629937	VKXXWRSNANACMT-NJEVBOHQSA-N	239.447	4.927	0	10	BJAE	
C[C@@H](C[C@@H](O)C1=CCC(C)(C)CC1)C(C)(C)C	2010726156	NXANWADMRZCDBS-GXTWGEPZSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H](CC)CCCC12CCC(CC1)C2	2012836439	MPABBUWPAKAKSW-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@](C)(N)C1(C)CCCC1	2014323723	LBDOUYBOWISMRZ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(CC[C@H](N)CCC1CCC1)C(C)C	2015345520	SPVHRVKJOYYQOI-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(CC[C@]1(N)CCCC[C@@H]1C)C(C)C	2015347052	MEZXWQHZFLNQIA-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H](C)C1CCCCC1	2017476350	WVTSVUXNTCITJF-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](CC)(CO)C[C@H]1CC[C@H](C)CC1	2017727136	WTTSQPAANUPEEZ-BZUAXINKSA-N	240.431	4.782	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)C(C)(C)C(F)F	2017793333	IJHBXZGROGNZEI-FZMZJTMJSA-N	249.389	4.602	0	10	BJAE	
CCCC[C@H](CC)N(C)CCC[C@@H]1CC1(C)C	2018182183	FFZIRPGHQOLKLD-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CC1(CC)CC1)NC	2018989835	INULRFAANIUPPI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CC[C@H](C)[C@H](C)C1	2019127331	SARXISNUEAWISH-RRFJBIMHSA-N	239.447	4.569	0	10	BJAE	
CCN(C1CCCCCC1)[C@H]1CCCC[C@H]1C	2020500170	BOHBWCFWLCYXMZ-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(CC(C)C)C1CCCCC1	2020535943	PDLSYLKIZAZJCX-LSDHHAIUSA-N	239.447	4.712	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)C2(C)CCCC2)C1	2024102562	UJOLQLJARDDCGZ-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@](N)(CCC2CCCCC2)C1(C)C	2025003052	FOKPCQWEBSFEND-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CC[C@@H](C(C)C)C2)c1	2025572027	MUNCQFYYXVNQFU-CABCVRRESA-N	231.383	4.540	0	10	BJAE	
CC(C)Cc1coc2c(C(C)(C)C)cccc12	2026532038	VDSZXRWMTNTHSU-UHFFFAOYSA-N	230.351	4.929	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2nc(CC3CC3)cs2)C1	2026540892	BHDKJYLNYYYXNL-DGCLKSJQSA-N	249.423	4.779	0	10	BJAE	
C[C@H]1C[C@H]1Cc1nc(C2CCCCCC2)cs1	2026596446	GWUSUSMKDDBNTE-AAEUAGOBSA-N	249.423	4.779	0	10	BJAE	
C[C@@H](CCCCCC1CC1)[C@@H](O)c1ccccc1	2028626942	YMLFRNLRNGHPLO-WMLDXEAASA-N	246.394	4.717	0	10	BJAE	
CN[C@H](c1c(C)cccc1C)[C@H](C)CCC(C)C	2029823170	GTSXUTDCDOYYPV-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CC1CCC(C(=O)[C@]23CCCC[C@H]2CCC3)CC1	2031853919	ZSMIXEULLFNUHC-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](CCN)CCc1ccc([C@@H](C)CC)cc1	2034173232	ULNZHFPQYBWJDD-GJZGRUSLSA-N	247.426	4.508	0	10	BJAE	
Cc1ccoc1CNC1CCCCCCCCC1	2035888381	AWQHNEZDMSMVDU-UHFFFAOYSA-N	249.398	4.571	0	10	BJAE	
N[C@]1(CCC2=CCCCC2)CCCC12CCCC2	2037172416	UWWDNFCKHKCABW-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
N[C@@H](CC1CCCC1)C[C@@H]1CCC2(CCCC2)C1	2038108004	OIKCGKAUNYDDLP-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2C[C@H]3CC[C@H]2C3)CCCCC1	2039866960	DAFNHJIHZQCUCV-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@@H]2CC[C@@H](C)C2)cc1	2040138541	PFGQYIWBQSAMIM-CPUCHLNUSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H]2CCC23CCC3)CC1	2041541786	SVYKRXQBLTYUTQ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]1N[C@H](C)c1ccc(C(C)C)cc1	2043678119	ZBTNFYIWZBUNRV-CKEIUWERSA-N	245.410	4.649	0	10	BJAE	
CCC[C@H]1CCCN(C[C@H]2CCC=CCCC2)C1	2045307306	JDWOQIGUTKZDHF-IRXDYDNUSA-N	249.442	4.635	0	10	BJAE	
NCC[C@@H]1CCCC(=C[C@@H]2CCC=CCCC2)C1	2045321364	VFAXNHGOOXJNRO-CVEARBPZSA-N	247.426	4.588	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CCC2CCCCC2)C1	2045561344	XQMIQYUYLMMNLI-XJKSGUPXSA-N	248.410	4.908	0	10	BJAE	
CCCC1([C@H](C[C@H]2C=CCCCC2)NC)CCC1	2045718031	DXOZDBRKGYBEOO-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)CN(C[C@H]1CCC[C@@H]1C)c1ccccc1	2046578722	HEMYGHSCXYKIKO-JKSUJKDBSA-N	245.410	4.585	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C1CC1	2047437003	ILZCWJHMOJDSIA-LUKYLMHMSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C1CC1)[C@H]1CCCCC12CCCCC2	2048127019	GVKHZORVXLXVLW-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048410657	AYZUQUPSPRZJFH-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CC[C@@H]1C[C@@H]1C=CCCCC1	2049342278	SSKKFMOOPGDYGB-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@H]2CCC3(CC3)C2)CC1	2049848365	IPHDJHMTPWFLEJ-GYTBAZASSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CC)c1ccc(C)cc1	2050424564	CDVJBCHEQUBZND-WMLDXEAASA-N	247.426	4.862	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2CCCCC23CC3)CCCCC1	2053409612	AWCVOAGCNZKKAX-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(C)NC[C@H](C1=CCCCC1)[C@H]1CCC[C@H]1C	2055271234	RSEFUWBKKIJFLF-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H]2CCCC(C)=C2C)C1	2055550923	VODVWNGRKVNRII-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C(=O)C2(C)CCC3(CC3)CC2)CC1	2056539818	QFNGMTUKESLPKV-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C2CC(C3CCC3)C2)C1	2056676682	CKKOHUCJIRREDF-VRLRAXNCSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)c1coc(C)c1	2056872299	BLRWXKXKITXJHE-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
CC=CCCC[C@]1(N)CCCCC12CCCCC2	2059206269	KRIIBWFTZKAHKQ-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC=CCCC[C@H](NCC)c1ccc(C)c(F)c1	2059224670	DINVEPOIFBBTMM-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@]12CCCC[C@H]1CCC2	2059254652	AOJRXSZEDNGYSU-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2059268652	ZYQMXAUABGCOKO-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@]1(C[C@@H]2CC23CCCCC3)CCCN1	2059467442	QNDQMJYJWFONFX-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CC(C)C1CCC([C@@H](N)C2=CC[C@@H](C)CC2)CC1	2060914712	USHHHJIRYNEHBC-LYSZQXJVSA-N	249.442	4.523	0	10	BJAE	
C[C@H](NCC[C@]12CCC[C@H]1C2)C1(C)CCCCC1	2061574038	CPEWJVOFHQLAAX-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC2CC(=C3CC3)C2)CC1	2061691646	RPHWEXLGMVZNEY-GUYCJALGSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1OCC1CC(=C2CC2)C1	2061706232	CDTPHRIKGPVRGY-UHFFFAOYSA-N	242.362	4.518	0	10	BJAE	
CC=CCCCN[C@H](CC(C)C)c1ccccc1	2062372421	RQNJZJZTLZJHQE-QGZVFWFLSA-N	245.410	4.720	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C(C1CCC1)C1CCC1	2062625549	PZEBVGCSXNYXNT-DOMZBBRYSA-N	248.410	4.598	0	10	BJAE	
CN[C@H]1C[C@@H](CC2(C)CCCC2)CC2(CCC2)C1	2063643630	VMYJTGTWPVAOHB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C23CCCC2CCC3)C1	2063822477	SIEAQWOSGKKHLX-UJEKJILKSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H]2CCC[C@@H](C(C)C)N2)cc1	2066379538	YYKZVEXZZSKEDX-IRXDYDNUSA-N	245.410	4.649	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC=CCCC2)CCC1(C)C	2068230864	SXKIRIDIRJWZFA-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCc1ccccc1OCCC(C(C)C)C(C)C	2068988498	DNVHNHINXLWNQY-UHFFFAOYSA-N	248.410	4.946	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCCC23CCC3)CCC1	2069344165	IBBYZKCVISBBBV-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@H]2CC[C@H]3CCCN[C@@H]3C2)CCC1	2069345473	VGQPJBBNWJNBGU-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@@H](N)C2(C(C)(C)C)CCC2)c1C	2071934758	UNGPIFYUECRGEY-OAHLLOKOSA-N	245.410	4.520	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CCC23CCC3)CC1	2072796727	RIBHQTALNWMSKY-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2C(=O)C[C@H]3CC[C@H]2C3)CC1	2072868231	CWQDMFWJVIMKNW-QXKUPLGCSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@@]12CCCC[C@H]1C2	2074034659	RXYHUZKAHLZURP-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H]2CCNC3(CCCC3)C2)CCC1	2074134537	LISURJOJDIAFHW-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC[C@H]1CC[C@](CNC2CC2)(CC2(CC)CC2)C1	2074623231	GBSDMLOKHHEJBK-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@@H]2C2CC2)CCCCCCC1	2079310518	FQNZEKLYZLWBJR-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCC1CCC1)[C@@H]1C[C@@H]1C1CCCCC1	2079486085	MEXHPZPMEZPNGU-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CNc1ccc2ccccc2c1	2079496260	JIDCVXKWSVORJM-RDJZCZTQSA-N	239.362	4.544	0	10	BJAE	
N[C@H](CCCC1CC1)C[C@@H]1C[C@@H]1C1CCCCC1	2079668424	AFQVHFAMVVIUBJ-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)c1ccccc1C1CC1	2079853007	TXZTULYPVVWMJM-KGLIPLIRSA-N	242.362	4.573	0	10	BJAE	
c1ccc(-c2cccc(N[C@@H]3C[C@@H]4C[C@@H]4C3)c2)cc1	2097006516	HTZTZNHILAFVJC-VQFNDLOPSA-N	249.357	4.564	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](N)CCCCC1CC1	2214585138	TXSCENSJGXQRJM-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C1(C)CCCCCCC1	2215323661	FXHZOMVVCYZIHF-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@]1(C)CC=C(C)CC1	2215816517	JIGVAYLFBTUUMB-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CCCCCCCC2CC2)C1=O	2216879560	KIKGIUBCXDGYKW-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CC(CC3CC3)C2)CC1	2218479457	CCQMNUHDWBQOBH-CRYBEJKASA-N	249.442	4.514	0	10	BJAE	
C(CCCN1CCC[C@H]2CCC[C@@H]21)CCC1CC1	2218731888	MTDGKLRBTUQEOH-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
C(=C/c1ccccc1)\C[C@H]1C[C@@H]1c1ccccc1	2219076171	MJWRBWFRGPUEES-INHTXZAOSA-N	234.342	4.894	0	10	BJAE	
CN[C@H](C[C@H]1CC[C@@H]1C)c1ccccc1C(C)C	2220557307	GYJUOFBNQKCRBB-JJRVBVJISA-N	245.410	4.507	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@H]1CC)c1ccco1	2220873865	HCJWFXXDMJWTAP-QLFBSQMISA-N	249.398	4.537	0	10	BJAE	
CC(C)c1cc(N[C@@H]2CCCCC[C@@H]2C)ccn1	2220886135	UIPNDQFDMLMKKK-DZGCQCFKSA-N	246.398	4.586	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2220964089	VHKJFVCRFFKPGR-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@]2(C)CC=C(C)CC2)CC1	2221602347	CUJBUBQPDIMNLM-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@]1(C)CC=C(C)CC1	2221629734	GDVIIIJZTWGOLJ-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C[C@]23CCC[C@H]2C3)C1	2222264273	GNOLNKKZMBSCAL-YALNPMBYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC=CC[C@@]1(CNC1CCC1)CC(C)(C)C	2223542537	RIGRDPWVSJWINY-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
C1CC(NCCC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2223598962	QLODLMJEHWUOLJ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC[C@@]2(C)C2CCC2)C1	2223850760	OCGWIXYJNMEBNN-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CCCCC[C@@H](C)Oc1ccc(C(C)=O)cc1C	2223945374	FSLWBYWPCMGLCI-CYBMUJFWSA-N	248.366	4.545	0	10	BJAE	
CCCCC[C@H](C)Oc1ccc(C(C)=O)cc1C	2223945375	FSLWBYWPCMGLCI-ZDUSSCGKSA-N	248.366	4.545	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@H](N)C(C)C	2244870260	YDKIZWHJYBRVNQ-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC2(C)CC(C)C2)C1	2246524050	KOMISYWSVBPOSM-MYMJJRTCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CCC[C@H]2C)C1	2246667001	XEMYEAVYTGTGAP-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCC(O)(CCC)CC[C@H]1CCC[C@@H](C)C1	2246695163	SSSNLXDFBZHOHF-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(O)CCC(C)(C)C2)C1	2246695166	SURNBHMXYLURPX-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)cc1NC1CC2(CC(C)C2)C1	2246849805	HFUCNEYYOUQPIF-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
CCCC(CCC)[C@H](O)CCCC[C@@H]1C[C@H]1C	2247157557	DLBRZQXRVNJUIJ-FVQBIDKESA-N	240.431	4.780	0	10	BJAE	
CC1(C(=O)C[C@@H]2CCC2(C)C)CCCCCC1	2247447866	OVYKZPANUDHTAD-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)CC1=CCCCC1	2247524492	IBNCQUNLQMHBSP-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC[C@@H](O)C1CCCC1	2248848939	AZBXWBJUPSVVGX-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C)NCCCCC[C@@H]1C[C@@H]1C	2248865917	MKQCZRUQEKEMAH-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C1CC(C)(C)C1)[C@@H](CC)CCC	2250356882	GHXSNEPJUIOXBB-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC[C@H]1CCC[C@@H](C)C1	2250361378	MHLOAQGFHODIBC-LVQVYYBASA-N	240.431	4.780	0	10	BJAE	
CCCC[C@](C)(CN)C[C@]12CCCC[C@H]1CC2	2251221581	OFYKDVRKEOUCPV-HRCADAONSA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@](C)(N)CC1CC(CC(C)(C)C)C1	2251495762	ZDZZZTLAMSMRSN-XUJLQICISA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@@H](CCC1CC(C)C1)NC	2251755649	SDBLRHPZJHYXSK-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)c1ccc2ccsc2c1	2253063625	VQIGEHCPYNLTML-AWEZNQCLSA-N	248.391	4.905	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)CC[C@@H]1CCCCC12CC2	2253798565	XMLCCJQYPHBDOX-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCCCC23CC3)cc1	2253878848	BSRNGSDVOYGVLF-OAHLLOKOSA-N	243.394	4.767	0	10	BJAE	
C[C@@H]1CC[C@@](C)(NCC[C@@H]2CCCCC23CC3)C1	2253891497	QAYSCQDIEYCUKQ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC2CC3(CCCC3)C2)C[C@H]1C	2254116734	VWYLWFBDCIOYBQ-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(N)CCC[C@H](C2CC2)C1	2254598753	ROQXAPMYCAZYGI-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1C(=O)CCCC[C@H]1C[C@@H]1C	2254612415	WEXCEWDPHSVLIJ-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC1(C)C)[C@@]1(C)C=CCC1	2255017250	WKQKSXAGAVBRST-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]1CCC(C)(C)C[C@@H]1CC1=CCCCC1	2255137194	NDMXFCJHSCGIQV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
NC1(CC2=CCCCC2)C[C@H]2CCCCC[C@@H]2C1	2255142666	YYFQKADJGSKKLQ-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CC2=CCCCC2)CC1	2255143847	MXKHTQQWSGNVIT-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C[C@@H]1CCCC12CC2	2255226593	WFXBJGMVEQQPAP-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(NCCCCC[C@H]2C[C@H]2C)c1	2257324509	OBRXCFMSZBMAGW-CVEARBPZSA-N	245.410	4.932	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H](C)CC[C@H]2C)cc(C)c1C	2258247494	PJOXMHSCMBREHG-PSTGCABASA-N	245.410	4.848	0	10	BJAE	
C[C@H](CCC1CC1)Nc1cc(C2CC2)ccc1F	2259127731	UVKPGZQWTJIFHL-LLVKDONJSA-N	247.357	4.694	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)c1cc(C)c(C)cc1C	2259440803	IEHZIJVYQQPBMW-WBVHZDCISA-N	247.426	4.699	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCCC12CNC2	2259616055	RVYDEONFYQQEBI-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
C(CCNC[C@]12CCCC[C@@H]1CC2)CCC1CC1	2260544916	SUGYNADMFZBQMZ-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C(=O)C[C@@]12CCCC[C@H]1CC2)C1CCC1	2260583882	RMYVGYIPLNVATJ-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(NC[C@@]23CCCC[C@H]2CC3)c(C)c1	2260613315	DQWVTYXPKMSMRX-RDJZCZTQSA-N	243.394	4.686	0	10	BJAE	
CC[C@](N)(C[C@]12CCC[C@@H]1CC2)C1CCCCC1	2260658499	PPCYKCSDQJKRIT-OIISXLGYSA-N	249.442	4.645	0	10	BJAE	
CC1([C@H](O)c2cccc(C3CCCC3)c2)CCC1	2260728048	XNDUBXJWRHJOIZ-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCCN[C@H](CCC1CC(C)C1)CC1CC=CC1	2261487556	VJEZZMAJYJJPAQ-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@@H](CCC1CC(C)C1)NC	2300684039	PTEFVVDZCNFJCR-BCLQGDPASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCC(CC)CC	2300684345	SSPAOXICHWZMHP-HZPDHXFCSA-N	241.463	4.993	0	10	BJAE	
CCCC[C@](C)(O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301136023	RUMWZLBOVIHSLR-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccccc1O[C@@H](C)[C@@H](C)C(C)C	2301840978	RPRZHVIWMDZAFX-KBPBESRZSA-N	234.383	4.699	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CCC(C)(C)C1	2302753065	KDRJDPYYXCNDSO-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@H]1CC[C@H]1C(C)(C)C	2303474913	IHVWHBLLYYCLCY-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
Clc1cc([C@@H]2CC23CCC3)nc2ccccc12	2304046116	MUKYCSMKYMOONU-NSHDSACASA-N	243.737	4.546	0	10	BJAE	
CCC(CC)C[C@@H](N)CC[C@H]1CCC(C)(C)C1	2304413459	VXSGQTGSVASKEZ-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]([C@@H](N)CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304438930	ZMKUTPLACUXJEJ-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccsc2C=O)c1	2307507663	GYESAJFSAJIUPS-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNCC)CC[C@@H](C)C1	2307764400	WQSDOBWXKPDNES-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CN)CC12CCCCC2	2307845788	VCJRNBBQIQRYSF-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC[C@@H]1C[C@H]1C)NCC	2307898468	KFYSXRRRLQOCKQ-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCC[C@@H]1C(C)C	2307903419	PEUBWZNKJZFZJM-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)c1ccc(O[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	2309130234	OHMDXJBSFSNTSO-DNNBLBMLSA-N	244.378	4.768	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1CC[C@@H]2C[C@@H]2C1	2310191619	HXJPBWJOSZFTEW-XTJKPPFFSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@]1(N)C[C@@]12CCC[C@@H]1C2	2310894860	LYFVOTODWOANBJ-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@@]12CCCC[C@H]1CCC2	2311610122	DKIDRYAXSUTEEP-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C[C@@H]2CCC[C@H]2C)C=CCC1	2312612731	GIRQDLPEAWBWMD-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN1CC[C@@H]2CCC[C@@H]21)CCCC(C)C	2316513052	MPJVUIYXJZAJBX-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
CC(=CC[C@]1(N)C[C@H]2CC[C@H]1C2)CCCC(C)C	2316519802	BJLAFKWUPRTIEU-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316750234	RHCICJRHKNAHEF-XFIYOXNOSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@](C)(N)CC2CCCCCC2)cc1	2316879810	GVEOMSBPIRLGHW-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
Cc1ccccc1OC[C@H]1C[C@H]2CCC[C@H]1CC2	2316887452	YFUXRXLDJMAGKJ-HRCADAONSA-N	244.378	4.590	0	10	BJAE	
CCCOc1ccccc1N[C@H](C)[C@@H](C)C(C)C	2317940727	KRWULDZXZVYFFI-UONOGXRCSA-N	249.398	4.568	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)C[C@@H]2CCC(C)(C)C2)C1	2319115257	KETPCQDTCSYHBG-TUUVXOQKSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@H]2[C@H]3CCCCC[C@H]32)C1	2319298483	ZMJCBSJDOQZAOT-HGTKMLMNSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2C[C@H]3C[C@@H]2C3)cc1	2319363180	OWARJXATFBDPTK-UGQVUOCMSA-N	243.394	4.658	0	10	BJAE	
CCNC[C@]1([C@H]2CCC2(C)C)CCC(C)=C(C)C1	2320398990	UIWFCMMUYUSNBC-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@H](C)CC2CCC2)CC1	2320401752	LSTJULMZNARFFB-NVXWUHKLSA-N	249.442	4.633	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CCC[C@H]2C)c1F	2327766529	FVZWYZIOBJLRSX-OLZOCXBDSA-N	249.373	4.797	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C(C)(C)c1ccccc1	2328308227	XOLPKUBRLRNMHO-CQSZACIVSA-N	246.394	4.750	0	10	BJAE	
CC(C)(Cc1ccccc1)Sc1ccccc1	5284402	DTQJBHPHIZDPGG-UHFFFAOYSA-N	242.387	4.800	0	10	BJAE	
Clc1cccc(NC2CCCCC2)c1Cl	20008897	GMIDMKMIIGCPPX-UHFFFAOYSA-N	244.165	4.738	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(Cl)cc1	21787860	JTRZMZXUYKFBTR-LLVKDONJSA-N	225.763	4.721	0	10	BJAE	
CCCC(CCC)N[C@H](c1ccccc1)C1CC1	37075203	WTLPGFAZGTWJFC-QGZVFWFLSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H](Nc1cccc(C(F)(F)F)c1)C(C)C	37196458	OGHCAWFOZBLXGF-GFCCVEGCSA-N	245.288	4.552	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)C1CCCCC1	37318109	YDKALVQVROQCSU-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
Cc1ccc([C@H](O)C[C@@H](C)CC(C)(C)C)s1	40242322	ZQUFUQFRBVNXJH-ZYHUDNBSSA-N	240.412	4.552	0	10	BJAE	
CCCCCCNc1cccc(OCC(C)C)c1	66167999	MBAOPHKFKWQOLZ-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CCCc1ccc([C@@H](NCC)[C@@H](C)C(C)C)cc1	70123352	QZSKKGKKNNHOKL-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CCC(=O)C(C)(C)C)C1	70739991	YXIGGEMFSUSFJQ-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](NCC)C(C)C	71083970	DYBHUPXWLMQRRF-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)N[C@H](CC)C1CCCCC1	71106474	CWHLIAQEHYQLPL-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H](C)CC[C@@H]2C)c(C)c1	85083206	NVIIGYOXJGOGOE-DVOMOZLQSA-N	231.383	4.540	0	10	BJAE	
CSc1c2c(cc3cc(C)ccc13)CCCC2	90556905	VXLUXAQVKQVDBM-UHFFFAOYSA-N	242.387	4.749	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@H]2CCCC2(C)C)c1	94306664	NASMNDUSJVHUNU-ZBFHGGJFSA-N	245.410	4.533	0	10	BJAE	
Cc1cccc(N[C@@H](C)c2ccc(C)c(F)c2)c1	94836377	BPIICYJOTRKXKY-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1ccc2ccccc2c1	103933792	UIMDXNIPCTYYKY-GUYCJALGSA-N	242.362	4.700	0	10	BJAE	
CCCCC[C@@H](NC[C@H](C)CC)c1ccccc1	103973289	NWNMFTVDIKDMFP-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
CC[C@@H]1O[C@@H]1C[C@@H](C)c1c(C)c(C)cc(C)c1C	107658060	BYTUTJXDKBSRRK-UHOFOFEASA-N	246.394	4.591	0	10	BJAE	
Fc1ccccc1-c1cccc2c(F)cccc12	112733517	INMQTMRLJVUPFK-UHFFFAOYSA-N	240.252	4.785	0	10	BJAE	
CC(C)C[C@H](N[C@@H](C)C(C)(C)C)c1ccccc1	122558665	JJEVYIJODMJBLN-HOCLYGCPSA-N	247.426	4.798	0	10	BJAE	
Cc1cc(Cl)cc([C@H](O)CCCC(C)C)c1	124282359	ZTXNVRZTBHTZOP-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1cc(C)cc(C)c1	124405246	JREYZHJKRUNXQO-DOTOQJQBSA-N	247.426	4.910	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)C2(CC)CCCC2)C1	125993759	OSWRPBGNFRHDLN-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](C[C@H](C)CCC)NCCC	126093405	DOFAMCYJSGUNTN-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
O=C(C1CCCCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	164030868	UWBLOYXSBDXDFT-FVQBIDKESA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H](C)CCC	167829104	WBBXGVDVVLSTDL-OLZOCXBDSA-N	212.377	4.598	0	10	BJAE	
CCCN[C@H](CC(C)C)C(CCC)CCC	169255730	DIALTGOAJVMLJF-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)C(=O)c1cccc(-c2ccccc2)c1	197965462	IWYPGLTYLMYFRV-UHFFFAOYSA-N	238.330	4.582	0	10	BJAE	
Cc1ccc(C(F)(F)F)c(CC(C)(C)C)c1	201518743	MVIMFDMDRGVJSY-UHFFFAOYSA-N	230.273	4.602	0	10	BJAE	
CCCC1CCC(O)(CC2CCCCC2)CC1	203678287	OVIZTBJOKUZCPP-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCC(C)(C)C[C@@H]1C	212546003	QSYUBISDZJDRTD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)[C@@H]1CCCC[C@H]1CC	227029164	GRKAUTMUPZSSSR-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H]1CC[C@@H](CC)C1	227470729	JZLOAOHNLKJAEW-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@H](C)CCC	229151417	AEOKLWUSXMXSSZ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C(=O)c1cccc2ccsc12	229329122	CKQLHODOROPWHV-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CC(C)(C)c1ccc2[nH]cc(C3CCC3)c2c1	232512194	DMTPUIGEBOICGJ-UHFFFAOYSA-N	227.351	4.733	0	10	BJAE	
CC1(C)CCC[C@@](O)(C2=CCCCCCC2)C1	232797337	INCICDDTVYCSBM-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cc(C)c(O)cc1C	232953908	DVOMLEVUDYEQMH-CQSZACIVSA-N	249.398	4.780	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)C1(C)CCCC1	233542876	QXZLKNICMIUILO-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1C[C@H]2CC[C@H]1C2	250475439	WQKTVSPLNIJZDD-KKUMJFAQSA-N	244.378	4.625	0	10	BJAE	
C1CCC(NC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	250846000	NBQXCCPWPQUQDL-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](O)[C@H](c1ccccc1)[C@H](C)CC	252900706	JSVBZGXYMXEQJJ-FSDCSDTHSA-N	248.410	4.613	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C1CCCCCC1	304373361	JPKCOERYIAXGMH-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCOc1cccc(NC[C@H](C)CC(C)C)c1	305911432	FSCIKYWOBIMSNN-CQSZACIVSA-N	249.398	4.570	0	10	BJAE	
CCc1cc(CC)c2ccsc2c1Cl	306847262	JQZDXNSCDQCBFD-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
C[C@@H]1CCC[C@H](n2ccc3c(F)cccc32)C1	309994198	KODKMQLKJNEFER-NEPJUHHUSA-N	231.314	4.532	0	10	BJAE	
CC1CCC(O)(C[C@H](C)C2CCCCC2)CC1	310204234	BIULQMSUXSACKH-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CC2(CC)CCC2)C1	310407358	LWYOSUQEEKFYDV-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CNC(C)C)C[C@H](C)C1CCCCC1	310455551	CTKSZWIGKYHQPK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
COc1ccc(C)c(NC2CCCCCCC2)c1	310608753	AJFMAKXTQBHAPV-UHFFFAOYSA-N	247.382	4.528	0	10	BJAE	
CCC1(CC2(CNC)CCCCCC2)CCC1	317164510	QDLKAWLRUAKFTI-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC1CCC(CCCC(C)C)(CNC)CC1	317539474	KIGMZWLYDJBSRC-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)n1ccc2cc(C)ccc21	319526183	GLFRYWDQOZMYKK-STQMWFEESA-N	215.340	4.557	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C(C)C)[C@H](CC)CC(C)C	319604989	XSUHOEXXZCVTDF-XHSDSOJGSA-N	241.463	4.719	0	10	BJAE	
Cc1cc(Cl)ccc1NCC1(C)CCCC1	380709647	MTMGGADKIMXGHO-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
NCCCCCCCCCCC1CCCC1	380970933	AMZUUMWMYUHFSB-UHFFFAOYSA-N	225.420	4.646	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCCC(C)(C)C)CC1	382666493	HKZRIAPLFWSCMM-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCCCC[C@@H]1C	383257338	LFPGFOATYOMLJN-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@H](C(=O)C(C)(C)C(C)(C)C)CC[C@H]1C	383856052	MZBFOKNRFFXROY-FRRDWIJNSA-N	238.415	4.700	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2CCCC[C@H]2C)CC1	385091766	YDMUHDLTVFTVPS-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C[C@@H](C)CC	385686929	JIZDGOTWTQQFFI-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](Nc1cc(F)ccc1C)C1CCCC1	387616588	PEVIJQXWTSKAKV-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CCCCCC[C@@H](O)CC1CCC(C)CC1	390365040	TWJRZLBCGKMFQU-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCCC23CCC3)c(C)c1	394799883	DPRUKMDFBKCPIF-OAHLLOKOSA-N	243.394	4.747	0	10	BJAE	
COc1cc(Cl)c2cc(C(F)F)sc2c1	396294146	WMPSJQDCNLYUGI-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1cc(F)c2cc(C(F)(F)F)sc2c1	396296288	KBQKSDLFUQVYKY-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1cc(F)ccc1C	401835596	NSLBXVALYXHQGM-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
CC1(C)CC[C@@H](Nc2ccc3c(c2)CCCC3)C1	404668795	ZTNCNMLJBCVQGJ-MRXNPFEDSA-N	243.394	4.556	0	10	BJAE	
CC1CCC([C@H](N)c2cccc(C(C)C)c2)CC1	688938071	IJRJQRNJLHRARO-KVULBXGLSA-N	245.410	4.636	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cccc(C3CCC3)c2)C1	690119984	AFZINIYHKAFFOM-GUYCJALGSA-N	243.394	4.945	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)C[C@H]1CCC[C@@H](C)C1	691190845	XDYKHLNZFCODLZ-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H]2CCCC3(CC3)C2)C1	695716900	NDJDIAGHWJTFKD-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@]12CCCC[C@@H]1C2	697832763	UYRANIXCYZACIW-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@H](N)c1cccc(C(F)F)c1	701182535	BPYBKWAWZIGWAL-CYBMUJFWSA-N	241.325	4.594	0	10	BJAE	
CCCC1CCC(C(=O)C(C)(C)CC)CC1	701275577	NNJNDBCRZZOYDH-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H](C)CC(C)(C)C	704732491	DWZFKSJIBLGFDY-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCC23CCCC3)CC1	705026750	LEJPSYDHLFBOHJ-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@]23CCCC[C@@H]2C3)cc1C	709115985	VLVKEHUMSMDFCZ-INMHGKMJSA-N	243.394	4.684	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C12CCC(CC1)CC2	710168161	AOFZEPFQALNJOO-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1cscc1Cl	710432221	KGWUZUUQVRRTDZ-VIFPVBQESA-N	244.787	4.801	0	10	BJAE	
CCCC[C@H](C[C@@H](C)C(C)(C)C)NC(C)C	710818573	FCALBWKYZVJITE-ZIAGYGMSSA-N	227.436	4.616	0	10	BJAE	
CC(C)C(C)(C)CNc1ccc(Cl)cc1F	713130578	OSQVHPVIJQQECX-UHFFFAOYSA-N	243.753	4.573	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1ccc(Cl)s1	713350552	GXFMPASSQZDPBI-UHFFFAOYSA-N	244.787	4.657	0	10	BJAE	
C=C/C=C/CC[C@H](O)c1ccc(C(C)(C)C)cc1	713762095	ZGTICHOBOBENBH-MOEXGYKKSA-N	244.378	4.540	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CCC[C@@H]2CCCC[C@H]21	714280669	UUHIFHMQOPWXTF-ARFHVFGLSA-N	231.383	4.636	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H](C)c1ccccc1	718578251	IGWRCKZZGUBCFF-DOTOQJQBSA-N	245.410	4.515	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CCC(C)=C(C)C)C1	719176358	OMIKOCPWNKADKD-GJZGRUSLSA-N	236.399	4.908	0	10	BJAE	
C[C@@H]1CC[C@@H](Sc2cc(Cl)ccc2F)C1	1473029020	CIZCSYAVQKXZQN-PSASIEDQSA-N	244.762	4.760	0	10	BJAE	
CC(C)(C)[C@H]1CCCN([C@H]2C=CCCCCC2)C1	1645418411	YIHRHJYHHUCCRT-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
C=CC=CCCN(C)C1CC(C)(C)CC(C)(C)C1	1877390383	NXGGUUYSTJJAMD-UHFFFAOYSA-N	249.442	4.655	0	10	BJAE	
CCC(CC)CC[C@](C)(N)CCC=C(C)C	1900693047	KAQCIJZGXVKPGN-OAHLLOKOSA-N	225.420	4.667	0	10	BJAE	
CCC(C)=CCC(=O)c1cc(C)cc(Cl)c1	1900870299	BPIBIEAYBJYWSZ-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC=C(C)CC)NC	1900882896	OCYFGRXBNWHBSC-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H]1CCC(C)(C)C1	1902390677	MMQLMSQPLBEWAW-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H](CC)CCC	1905353673	NZDVTFHZKGFERD-GJZGRUSLSA-N	227.436	4.891	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)C2CCCCCC2)CC1	1909703502	POHCVELYWARZDN-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@H]1C(C)C	1909758775	ZSWSHAFNHOUGEU-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
C=CC=CCCc1ccc2sccc2c1	1911778733	RHXZFOSEMRYBIM-UHFFFAOYSA-N	214.333	4.576	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@H]1CCCCC1(C)C	1912130863	JGCBYRWQLRYEOB-HZPDHXFCSA-N	249.442	4.703	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc1	1917328761	IPLODRLIDODORY-YQQAZPJKSA-N	243.394	4.630	0	10	BJAE	
CC(C)[C@@](O)(CCCC1CCC1)c1ccccc1	1919924701	JYIGEJKBOZAALX-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CCCC1CC([C@@H](N)CCC2CCCCC2)C1	1921298841	ZCADSMMBOGGBSX-GPANFISMSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@]1(CC2CCC2)CCCC12CCC2	1921600297	CLYNZGIWJBYTOD-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H](C)C1CCCCC1	1924148978	PRLXNOXMGABMLN-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)c(C[C@H]2C=CCCCC2)cc1C	1925834292	MNLDYQGSZQGGQS-INIZCTEOSA-N	228.379	4.901	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)c1ccc(C2CC2)s1	1940865240	WXOFTQPALMBMRS-NSHDSACASA-N	248.391	4.635	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCCC2(C)CC2)C1	1940884709	ZHNYSBPWSJYCRO-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(F)c1cccc(N)c1	1940971856	WCHLRXRTSPBGPM-OAHLLOKOSA-N	237.362	4.670	0	10	BJAE	
CCCN[C@@H](C(C)(CC)CC)C1(C)CC(C)C1	1941981377	DRTFXFYYWXWMII-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)([C@H](C)CCC(C)C)CC1	1942656658	DLFAWCSMBZCWRX-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](N)C(C)(C)C1CCCCC1	1944665712	IQGWPGFZKFRQJE-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](C)CC1(N)CC(C2CCCCC2)C1	1945947769	PALFKFLNBWAGFY-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H]2C(C)C)c(C)c1	1947460726	HKHXVSZHLKCPJM-HOCLYGCPSA-N	231.383	4.540	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@H](N)CCCC(C)(C)C)C1	1948984321	XYQAOICMPFUEGR-NWANDNLSSA-N	237.431	4.523	0	10	BJAE	
CC1CCC(CC[C@@H](O)CC2CCCC2)CC1	1949869918	MSPAJBWWPRFQAC-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(CO)CCCCC2)C1	1950371420	JMQHNIHFYXGQJP-HUUCEWRRSA-N	238.415	4.536	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CC23CCCCC3)c(C)s1	1950599265	MWQLYOLBMRKNEY-CYBMUJFWSA-N	248.391	4.518	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@H]1CCC[C@@H](C)CC1	1950930759	REFDAPVMQWGFMR-ILXRZTDVSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](NC1CC[C@@H]2C[C@H]2CC1)C1CCCC1	1967833470	BUDXGOCYCIKVQT-INMHGKMJSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCCC3(CCC3)C2)c1	1968230713	UUBRBOZURRTCPX-OAHLLOKOSA-N	243.394	4.828	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCC[C@H](C)C2)cc1C	1968254266	DMTUJOCCEIKKBS-XJKSGUPXSA-N	245.410	4.932	0	10	BJAE	
C[C@@H]1CC[C@@H](CNc2ccc(C(C)(C)C)cc2)C1	1968276178	XEKFGEKGLKRDTI-ZIAGYGMSSA-N	245.410	4.832	0	10	BJAE	
Cc1ccc(F)cc1NC[C@@H]1CCCC2(CC2)C1	1968313098	WIBPFXYKHCQCMF-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CCCC(CCC)CN[C@H](C)c1cccs1	1968429205	ATZSBPYFCWZXAL-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
CCCC1CCC(CN(C)C(C)(C)CC)CC1	1970203555	BCBXHZVLAPUHEK-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1N[C@H]1CCCCC12CCC2	1972819035	CFLPNOZNYGIQKB-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CN[C@@]1(C)CCCCC1(C)C)C(C)(C)C	1973519788	ROMMZIKHRRAZJM-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](Oc2ccc(Cl)cc2)C1	1978373832	FSLFMLJPARIVQJ-ZDUSSCGKSA-N	238.758	4.688	0	10	BJAE	
CC[C@@H](C)c1csc([C@H]2CCC23CCC3)n1	1979522962	OAZKATFLDOPJGC-GHMZBOCLSA-N	235.396	4.704	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cc(C(F)F)cs1	1983698544	DFURTAVXJISOQK-SFYZADRCSA-N	246.322	4.551	0	10	BJAE	
C/C=C/CCCCC(=O)c1cccc(Cl)c1	1984592831	HWXWFNLHJQJDNZ-NSCUHMNNSA-N	236.742	4.659	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)CCC=C(C)C	1988795582	VIMGXQWWOIKRHN-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCCCCC[C@H](N)C1(C(C)(C)C)CCC1	1989453032	HUIDZNIWJGZXRR-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@](C)(O)CC)CC1	1989807129	GGEHTLJODLZOBO-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@](O)(CC)CC[C@@H]1CC1(C)C	1990091259	LWDHJMGIPFZOSB-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H](O)CCCCC(C)(F)F	1993579358	AFGUPMZBOMUXKL-GFCCVEGCSA-N	236.346	4.533	0	10	BJAE	
Cc1ccc(N[C@H](C)C2(C)CCCCC2)cc1	1995987295	JGBFRPGTGPADOO-CQSZACIVSA-N	231.383	4.766	0	10	BJAE	
CC(C)CCCCN[C@H](C)C1CCC(C)CC1	1996554904	PHCHOBCEMZAHBQ-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@]1(C)CC=CCC1	1997606251	HYGOPFIBQLWQBR-GOEBONIOSA-N	236.399	4.908	0	10	BJAE	
C[C@H](CC(=O)C1CC(C(C)(C)C)C1)C(C)(C)C	1998242054	WRRPGJFDVAUDKN-PNESKVBLSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@@H]1CCCC(C)(C)C1	2000053000	ZQBLOASGAMQEOY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CCCC(C)(C)C1	2000143112	KLOSLKLLOLKYGD-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@@H](NC)C1(C)CCCCCC1	2000336745	VKOBAWPMDQLFPR-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@H]1CC[C@H](C)C1	2000504846	LSAZVXFDMDMXCY-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)CCCCCC1CC1	2000910115	WGNCPFHCASPINB-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@H]1CC12CCCCC2	2001267015	ZGRBELSRUHOWGP-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H]1[C@H]2CCCC[C@H]21	2002212580	QGKPYIGRQDQIOK-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCC(=O)[C@@]1(C)CCCCC1(F)F	2002583510	SOWZYDVJDRVBAH-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C2CCCCCC2)C1	2002973814	JTVTUSBTNGKDAV-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC=C[C@@H](NC)[C@H]1CC[C@H](CCCCC)CC1	2003069423	XURGPVBOMSCOFX-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](NC2CCCCCCCC2)C1	2003074415	JUAKAFDTXKDPRU-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H]1CCCC2(CC2)C1	2003191862	QMQOPWUINQKYTQ-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H]1CCCC[C@@H]1CC	2004235524	ZQWWNVVOFWJNRI-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CN[C@H]1CC[C@H]1CC(C)C	2004713023	WAXRTVNWERUERI-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](N)C1(C)CCC(C)(C)CC1	2007690891	BDSRRGKGRZJRKX-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CC=CCCC[C@@H](O)[C@@H]1CCCC(C)(C)CC1	2009590927	QXGNQTPNLNIRET-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H]1NCC[C@]1(C)CC1CCCCC1	2009766841	BPZLMVXWHNEMMB-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@](CC)(CCCCCF)C(C)C	2012424020	CHKVRNGKWLBTIV-HNNXBMFYSA-N	245.426	4.568	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC1CC2(CCC2)C1	2013271686	UXISKAANPCLZBZ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC)CCCCC(C(C)C)C(C)C	2015345681	VXAHJNHFAISSGY-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C[C@H](C)c1ccc(N)cc1)C(C)C	2015408506	JXBFSSULZYDTKU-ZDUSSCGKSA-N	233.399	4.691	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC1(CC)CCC1	2015598707	YMVLYHIFNKQUAS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CC[C@@H](CC)C2)CCC1	2015641333	CQKKZJCGDYPTEW-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H](C)CCC=C(C)C	2016150684	XFAJQFYFOOBOJE-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CC1(C(C)(C)C)CCC1	2017125545	OOTRFTWRPPMXQY-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC(C)=C(C)C)CC1CCCCC1	2017473203	QOPKQZAYWWWEQJ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@@H]1C=CCCC1	2018184622	IOXAAPFBBSGHPI-HZPDHXFCSA-N	237.431	4.633	0	10	BJAE	
CC(C)CCCCCN(C)CC(C)(C)CCF	2019340373	NALFJQHQDXESNI-UHFFFAOYSA-N	245.426	4.520	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CCCC(C)(C)C2=O)C1	2020396552	LMBLXSVCMMVPAU-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCCN(C[C@H](C)CC)C1CCCCCC1	2020506709	VTMYLNNTHYKTHG-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H]1CCCC(C)(C)C1	2020971618	MLDBIUSOYRPYRM-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1CCCC1(C)C	2020972110	QZFJNVZGWDRHBM-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(=O)C[C@@H]1C[C@@H]1C(C)(C)C)C(C)C	2022560450	OORXSXTZRGFDDC-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
CCCNC[C@@H](C)CC[C@@H]1CCCC(C)(C)C1	2024091691	KMYLYOYGGPIBFP-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@@H]1CCCC(C)(C)C1	2024093536	CHQMMHKFXSDFDE-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@H](C[C@](C)(O)CC2CCC2)C1	2024129363	UYMQTDLFNUIEIC-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1ccc(C)cc1	2026168388	ZTBBNRNVMYMOFZ-BBRMVZONSA-N	233.399	4.601	0	10	BJAE	
Cc1cc(F)ccc1C(=O)CCC[C@@H]1CC1(C)C	2027843755	SWQYUAGSIHEONS-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C=Cc1ccccc1)NC	2028582971	FOLHQYWMXSIPBJ-DLBZAZTESA-N	245.410	4.504	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]21	2028758034	PLACETOYWUFICS-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCCCC1)NC1CC(C2CCC2)C1	2029282609	HHKQZPYWEISOBH-NVPAJSRCSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@](C)(N)c1ccc(C2CCCC2)cc1	2031752689	QPNCUKPUINFECR-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
C(CNC[C@@]12CCCC[C@@H]1CCC2)CC1CCC1	2031809173	PQKWKJRJPOODCJ-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@@H]2CC[C@@H](C)C2)cc1	2033402178	OVHNLRYQZUDCBK-GFOFROLCSA-N	246.394	4.670	0	10	BJAE	
CCCC1CCC(CN)(C[C@H]2C=CCCC2)CC1	2035600243	LLCUUPQWMIRZHJ-CGZBRXJRSA-N	249.442	4.668	0	10	BJAE	
C1CCCCC(NCC2[C@@H]3CCC[C@@H]23)CCCC1	2035886473	QLRUMLIDAIZETA-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CCC[C@@H]2CC2(C)C)C1	2037178901	CGGOVJOPZZDNHE-ARLBYUKCSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CC2CCC=CCC2)C1	2037208364	WIFXCHYIHIXGDG-DLBZAZTESA-N	249.442	4.667	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1cccc(C2CC2)c1	2037209781	IRHLIKCZBFDYOD-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
C1=C[C@@H](N[C@H]2CCCCC23CCCC3)CCCC1	2039030942	ABELOYDNKWUCEO-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H]1CCC[C@H](C)CC1	2039378193	XEEHFGJXMRDOBB-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](N[C@H](C1CCC1)C1CC1)C1(C)CCCCC1	2039873599	XXBKIPAIVNDABB-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)c2ccc(C)cc2)CC1	2041374327	ZRXGBLNUWWXFNG-HLLBOEOZSA-N	245.410	4.601	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@H](C)C1)C1(C)CC=CC1	2042019396	NSTNNZIOGBUISH-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@]12C[C@H](C)[C@@H]1C2	2042992667	NRSXKYCMDUVKKY-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2CCC=CCCC2)c1	2045314489	KPRRWVQITHPHJX-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
N[C@]1(C[C@@H]2CCC=CCCC2)CCCC12CCC2	2045320485	NEPJMKOKLWAUIO-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)C[C@@H]1CCC=CCCC1	2045320951	QYCIAXIFSGBQCB-WBVHZDCISA-N	249.442	4.668	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cc2ccccc2o1	2045608576	NINYUBHBRMTFKL-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2CC23CCCC3)CC1	2047057160	YSHLSZZRAPOYMM-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C[C@@H]1CCC12CCC2	2047931281	DPWXIFSHZJQNHL-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)C[C@@H]1CCC2(CC2)C1	2049848712	LDQLRCGWXLKHQD-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@H]1CCC[C@H](C)C1	2050450974	RVNNFRSUIVVURG-DZGCQCFKSA-N	244.378	4.784	0	10	BJAE	
CC(C)=CCCN1CCCC[C@H]1C1CCCCC1	2051674724	MNOSOHJMMCSWIF-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CC1CCC([C@H](N)[C@@H]2CCCCC23CCC3)CC1	2053414405	ZGZMXXAYDYLMSF-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
NC[C@@]1(CCCC2CCC2)CCCCC12CCC2	2053420414	KHOFEPWUISINIH-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@H]1C=CCCC1(C)C	2055531296	GNJOMRKYKGSBRJ-XHSDSOJGSA-N	249.442	4.536	0	10	BJAE	
CCC1CC(C[C@]2(N)CC[C@@H]3CCCC[C@H]3C2)C1	2056641099	VYCMAZBFLJWJSF-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1CC(C2CCC2)C1	2056682602	MZCSUTQIWHKROJ-IUDNXUCKSA-N	246.394	4.518	0	10	BJAE	
CCC1=CCC[C@]1(N)C1CCC(C(C)(C)C)CC1	2058724715	FCLJHBCNJUNDNY-VMBOVVBDSA-N	249.442	4.667	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CC2CCC1CC2	2059256448	PBFUNYJBYXYRIW-ZVPBJRBCSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC[C@@]12CCC[C@H]1C2)C1CCCCCCC1	2061574765	KZZIFGYPOQIBNJ-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CC1CC(=C2CCC2)C1	2061704889	WJFXWJYCOLIUMP-IRXDYDNUSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1F)c1occc1C	2063670802	GLMHVFWPESHSSK-ZDUSSCGKSA-N	247.313	4.599	0	10	BJAE	
CC[C@@H](CCC(C)C)NCc1ccc(C)cc1C	2066077540	DWEKYQPJVZYATB-KRWDZBQOSA-N	247.426	4.608	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)[C@H]1CCC1(C)C	2068241509	DEWPJLSXMBWOKB-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](N)c1ccccc1C1CCC1	2068818566	QUJHUFPTNVEVLZ-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)c1ccc(C)c(C)c1	2068846031	WWFOHHAIBVWAHQ-RHSMWYFYSA-N	247.426	4.636	0	10	BJAE	
CCNCC1(C[C@H]2CC23CCC3)CCCCCC1	2069189207	IRLWNICEHISDKO-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CN[C@H](C[C@H]1CC12CCC2)C1CCCCCCC1	2069200517	IQAHNFOYLONRQG-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CNc1cccc(C2(C)CC2)c1)C(C)C	2070283408	WHSWVVUPJVSFMT-CQSZACIVSA-N	245.410	4.832	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC(C1CCC1)C1CCC1	2070409359	SSMLHEQJTFLLEL-CQSZACIVSA-N	249.442	4.680	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC[C@@H]1C[C@H]2CC[C@H]1C2	2070412252	AQUJQIXNHMFYBF-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@]23CCC[C@H]2C3)cc1	2070791546	XHLDPLHFTCRISS-JLJPHGGASA-N	243.394	4.802	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)[C@H]2CC23CCCC3)CCC1	2071919890	PGICPJMOJAMMMO-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@H]2CCC3(CC3)C2)CC1	2072807197	TTZRRPAYKNGRCQ-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@H]2CCNC23CCC3)CC1	2072816527	WBORDRMQXBLHSB-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@]23CCCC[C@H]2C3)C1	2074089107	AJIKWFFLKINILY-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@]23CCCC[C@@H]2C3)CC1	2074090745	LDINLEBSIBVWSP-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(N(C)[C@H]2C=CCCCC2)C1	2075401850	QSJQFRCJWAWSDR-CGZBRXJRSA-N	249.442	4.776	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CCC3(CC3)C2)c1	2078350037	CQUXAPNXLXTWHQ-CQSZACIVSA-N	241.378	4.699	0	10	BJAE	
CCC/C=C/CNC[C@@H]1C[C@@H]1C1CCCCCC1	2079462384	PNCTWCPIUSEJAL-MWXKITEQSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)n1nc(C(C)C)c(C(C)C)c1Cl	2079716736	IBKACQUKTCCYNE-SNVBAGLBSA-N	242.794	4.754	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)CCCCC12CCCC2	2079869682	GOFPPYBVWHFKOF-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1=CCCCCCC1	2081783156	UTFWMBUOWWTDRJ-QGZVFWFLSA-N	249.442	4.992	0	10	BJAE	
CCC1(C[C@@H]2CCCNC23CCCCC3)CCC1	2083812633	REEIUEXDWISFDJ-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCC1CC(CC(=O)CC2C[C@H]3CCC[C@@H]3C2)C1	2085001947	TVRSPTRVAGMCRW-BCAXMMLOSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N[C@@H]2CCC23CCCCC3)C1	2085242054	AKPKDCQGMZAYHC-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
Cc1ccn(CC2(C)CCCCCCC2)c1	2211149911	ZSNWNJBGTLHDJC-UHFFFAOYSA-N	219.372	4.547	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@@H](CCCCCCC2CC2)N1	2213575757	IVYUIMXUZRZEMW-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]([C@H](O)CCCCCCC1CC1)C(C)(C)C	2213578832	AKNJGMUCYFTDDG-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CCC[C@@H]1C[C@@H]1CC)NCCC	2215253721	RSBQQOVLFZWRRG-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
C(CCCNC1CCCCC1)CCCC1CC1	2216883798	OESVOZVSPOANPS-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
C[C@@](N)(CCC1CC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218362080	SXEDXQOANLUQSS-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)N1	2218362621	ZPBIIOQSTZUPFV-JZAWBGDQSA-N	249.442	4.514	0	10	BJAE	
CCCCCCC(=O)c1ccc([C@H](C)OC)cc1	2219433102	GVUMXQWWGRUEDH-ZDUSSCGKSA-N	248.366	4.547	0	10	BJAE	
CC1(C)CC[C@@]1(CCCCC1CC1)CNC1CC1	2220039951	KVAMPTYRVDFOJX-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CN(CCCCCCC1CC1)CC1(C)CC=CC1	2221598808	PDWAWOJZPPBCKQ-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@H](C)C2CCCCC2)CC1	2221644985	VTWJPRFJSYFDPV-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1(CCC)CCC1	2244783355	PKLDTHXYAXRYIU-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(N)C(C)C	2244835262	BYONXEHSLSWXCF-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1CCCCC12CC2	2246614905	PHCORARBPUBNLW-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)[C@H](N)CCC[C@H]1CCCCC12CC2	2246628485	YKIJJPWLIPRIAN-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(O)(CC[C@@H]1CCC[C@@H](C)C1)C(C)C	2246690852	GAOLWQYBPRMCPK-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@@H]1CNc1ccc2sccc2c1	2247393853	JFMPJRWZNFCHMT-GFCCVEGCSA-N	245.391	4.749	0	10	BJAE	
CCC[C@]1(CCCCC[C@@H]2C[C@@H]2C)CCCN1	2248872722	SVRJRAICGBRHOL-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1C[C@H](N)C1(C)C	2250479340	TUGQAZMPIWIIQP-ZFWWWQNUSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@@H](O)[C@H]1C	2250481469	MBIHZGWARIIRBE-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H](C)C[C@@]1(O)CC(C)(C)CCC1(C)C	2251673821	KLCOAKSYGXQXGC-XJKSGUPXSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](N)CCCC12CC3CC(CC(C3)C1)C2	2254000565	FPUQQAITLXZSOO-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(NCCCC[C@H]2C[C@@H]2C)cc1	2254544383	PHUPENRPDRFJAZ-HOCLYGCPSA-N	245.410	4.877	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H]1CCc2ccccc2N1	2254580492	PFGZEBWIRLOPMU-BMFZPTHFSA-N	243.394	4.630	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC[C@H]2C[C@@H]2C)c(C)c1	2254610084	NXOWZIRIKOGWBV-QRTARXTBSA-N	245.410	4.520	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C1(CC)CCCC1	2255062760	IUDKVNINWGWPHM-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CN(CC1=CCCCC1)[C@H]1CCCCCC12CC2	2255090849	DQRZONKXVNHTEA-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(CC2=CCCCC2)C1	2255091244	IGESRJOWLXYOQI-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC[C@@H]2CCCC23CC3)C1	2255262634	YIZOEJJJXUKRPP-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@](C)(NCC[C@@H]2CCCC23CC3)C1	2255281000	LHILLXSBIAJQLJ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@](C)(N)[C@@H]2CC23CCC3)CC1	2256459479	RTXJTIKHIFSJRM-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C1(C2CCC2)CC1	2257245898	CORPYIFNNJAIJS-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@]12CCC[C@H]1CC2	2260564073	DFUIPCQFHGLKTF-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCCC(=O)c1cccc(CC2CC2)c1	2260905862	VUXYZJKAHSVZLX-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(C)(C)CC1CC(C[C@]2(N)CCCC23CC3)C1	2261135219	QQGQGAUYQDRSJK-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H](O)CCC1CCCCC1	2298915397	IWWWEXSIDYUIGA-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@@H](C)CC1CCC1	2298939890	QSVSXADXTGVNMX-NUEKZKHPSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C(C)(C)C1CCCC1	2298945470	AYZPUIALTANNDW-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H](C)CC2CCC2)C1	2298948220	KNIXPEXWAJQNGV-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(N)CCCC(C)C	2300504579	BQTKKYXEWYHZMO-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C[C@@H]1C[C@H]1CC	2300898674	HBXGKMGTPXLMFI-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC(=CCC(=O)[C@@]1(C)C[C@H]1C)CCCC(C)C	2300923415	IOKJPTGGOJURCF-ZBFHGGJFSA-N	236.399	4.764	0	10	BJAE	
CCNC[C@@H](CC1CCCCCC1)C(C)(C)C	2301243575	DAIOAUXTSROCEM-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2CCC(C)(C)C2)CCC1	2302742059	KENLRTVABQUNNP-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@@H]1CCC(C)(C)C1	2302757880	HCDYRIOZKZNPIO-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1N[C@H](C)C1CC2(CCC2)C1	2302889207	HXZXVVDOPWICDT-LLVKDONJSA-N	249.423	4.691	0	10	BJAE	
CCC(CC)CC(=O)CC[C@@H]1CC[C@@H]1C1CC1	2303115338	SHSLOSUQYDSTMR-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC)CC[C@H]1CC[C@@H]1C(C)(C)C	2303474499	YOWOZLDRQGWQQA-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@@](CO)([C@@H](C)CCC(C)C)CC1	2303584830	SKSUBVCWCRACKU-HOTGVXAUSA-N	238.415	4.558	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC[C@H]2CCC(C)(C)C2)N1	2304440715	VQBLNRYVCFUZPV-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC[C@H](CCCC[C@H](O)C(C)(C)C)C1	2304447040	KKHUBLNIWDQQTG-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@]1(C)C=CCC1	2307895559	QQOPEIIDWXYGJW-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCC(C)(C)[C@@H]1NC	2307899710	RHAHDFRJCLIAFL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@@H]1CCC[C@H]1C(C)C	2310374593	ZVJWKTUJMJYAOO-GVDBMIGSSA-N	249.442	4.548	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@H]1CC)C[C@@H]1C=CCCCC1	2310970611	ALTJLJJMAXYUEN-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)[C@@]12CCCC[C@@H]1CC2	2313292190	KLMRQPCXPKMMBB-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@@]12CCC[C@@H]1CC2	2313293915	CIUQSPHISZRZMX-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCCN1CC1CC(=C2CCC2)C1	2313614548	RDMVBYRAJWYTBN-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)c1occc1C	2316871983	GVSRSEHVWUOPSI-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)[C@H]1CC=CCC1	2316873985	JEWZCKGLWYYZJL-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C(=O)CC1CCCCCC1)c1ccccc1	2316999503	TWQDWCMQHTXICA-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
CCC[C@H](CCC[C@H]1C[C@H]2C=C[C@H]1CCC2)NC	2317147705	FSGRLJBCLVIOJL-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)CCCc1ccccc1	2317914008	YHNWJOHLAGCSFI-CABCVRRESA-N	246.394	4.507	0	10	BJAE	
C[C@H]1C[C@H](C(=O)CCC2=CCCCC2)CC[C@H]1C	2317937555	ZDFMTRBTNHXFDI-IJEWVQPXSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H]1CC(C)(C)[C@H]1C	2318232798	GORICFOPFQGNFQ-RCBQFDQVSA-N	246.394	4.526	0	10	BJAE	
C[C@H]1[C@H](C(=O)C2(C)CCC3(CC3)CC2)CC1(C)C	2318241156	OEVADOOBXCJXBA-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
CN(CCCC1=CCCCC1)C[C@@H]1CC=CCC1	2318567725	HCXYLKLYCJTMBE-QGZVFWFLSA-N	247.426	4.555	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@@H]1CC[C@@H]1C	2318582837	IIRPCOYSRHOWAP-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@H](N)C[C@H](CCCC2=CCCCC2)C1	2318591702	AZYBPBDOVDETPN-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
O=C(CCCCC1CC1)C[C@H]1C[C@@H]1C1CCCC1	2318873706	RQWXEPDTYGKGOC-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1	2319288738	LOGCPEVCTDOOGI-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H]1CC[C@@H]1C(C)(C)C	2320211126	KOVCTGWWVGGCPW-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@](C)(N)C2CCCCC2)CC1	2320337010	JRWKZNAXHYUDGS-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](C[C@H](C)C1CC1)C[C@@H]1CCC(C)=C(C)C1	2320400371	YRGUVIYPTJRJIB-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)C2(CC(C)C)CC2)CC1	2320408665	MPVKMNAGYQFFLS-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
CCCC1(CNC[C@@H]2CCC(C)=C(C)C2)CCC1	2320416927	OOJRDGQYDBHZHZ-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCCc1ccccc1O[C@@H](CC1CC1)C1CC1	2320809813	FQPFWPKQNZQFTH-KRWDZBQOSA-N	244.378	4.597	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2C[C@H]2C2CCC2)C1	2321643374	WXLJEERUSOKPHQ-VHDGCEQUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1c(C)cc(C)cc1C	2328214039	UHDUAWJJWAIPPV-CVEARBPZSA-N	248.410	4.862	0	10	BJAE	
CCC[C@@H](CC)CC1(CNC2CCC2)CC=CC1	2328305895	DLTFJGPRXVPEFZ-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cc(C)ccc1C	21817984	PEGOMEHNVFINCX-WFASDCNBSA-N	233.399	4.930	0	10	BJAE	
CCCCCNc1ccc2oc(C(C)C)nc2c1	37136708	PHTFCNWZLORDRS-UHFFFAOYSA-N	246.354	4.553	0	10	BJAE	
CCCCC[C@@H](N[C@H](C)CC)c1ccccc1	37186574	QEYADKOJUQGZHG-GDBMZVCRSA-N	233.399	4.696	0	10	BJAE	
CC1=C[C@@H]2C(=CC1)[C@H](C)CC[C@H]2C(C)C	59585738	JUQGWBAOQUBVFP-IPYPFGDCSA-N	204.357	4.581	0	10	BJAE	biogenic,in-vitro
CCCC[C@H](CC)Nc1cc(C)cc(C)c1	68985578	NROLNFQXFHVOPY-AWEZNQCLSA-N	219.372	4.684	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccc(F)cc1C	70977664	HHXVGBVITIFJEO-SWLSCSKDSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(F)cc2C)C1	71105917	NMULYVMYQFZYTG-TZMCWYRMSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccc2[nH]ccc2c1	71159046	SXRUCONKOSEMRS-MLGOLLRUSA-N	242.366	4.549	0	10	BJAE	
CCCC1CCC([C@H](NC)c2ccccc2)CC1	87963789	VXLHDXQJCUOTBR-BDVYOWHSSA-N	245.410	4.554	0	10	BJAE	
CC[C@H](C)C[C@@H](CNC(C)(C)C)c1ccccc1	88098980	MWNHXSRWCJSEQN-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2C[C@H]3CC[C@@H]2C3)c1	93519249	GPWSPPTVCWOHFB-IMJJTQAJSA-N	243.394	4.658	0	10	BJAE	
CCCSC(SCCC)c1ccccc1	98090932	MRXUJVXIHZTOTG-UHFFFAOYSA-N	240.437	4.972	0	10	BJAE	
CC1(C)C2=CCCC(C)(C)[C@@]23CC[C@H]1C3	100873205	CQUAYTJDLQBXCQ-XHDPSFHLSA-N	204.357	4.559	0	10	BJAE	biogenic
C[C@H](NC1CCCCCCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2	101283516	XLCJGOZXECBQNM-HWMZRRJGSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)C[C@H](O)C(CC)(CC)c1ccccc1	103943247	WVGNZRJMQROXNH-ZBFHGGJFSA-N	248.410	4.542	0	10	BJAE	
CCC[C@H](C)CC1(CNC2CC2)CCCCC1	110200617	JKRMRTWHAAIQJS-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H]1CCC[C@H](C)C1	110462875	DZQOMFOEZDPLOW-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@@H](C)N[C@@H](C)C(C)(C)C)cc1C	122551165	BQMZAJLWJDLWPW-CABCVRRESA-N	247.426	4.697	0	10	BJAE	
CC[C@H](C)c1csc(-c2ccc(F)cc2C)n1	132262655	ZDCUNFSDJZOFBG-VIFPVBQESA-N	249.354	4.771	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)Nc2ccc(F)cc2)c1	132418811	YPQFRAONUWXRCT-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
[C-]#[N+]c1cc(Cl)c(Cl)c(Cl)c1Cl	138890859	MQGVWPNRFZVNHS-UHFFFAOYSA-N	240.904	4.851	0	10	BJAE	
Cc1cc(Cl)c2sccc2c1Cl	150088203	SFEPKIBAYHHJJD-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC(C)(C)C[C@@H]2C)c1C	155831754	ZMPAIKUBFUIZPI-DZGCQCFKSA-N	245.410	4.930	0	10	BJAE	
CCCNC[C@@H]1CC[C@@H](CCC)C[C@H]1CCC	156134018	RKYLLRKZFQKPMV-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCCCC1CCC([C@H](N)CCC(C)C)CC1	158686094	CGBNEIDGZODSGK-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)c1ccc(C)s1	164302401	FOZZSRSLXIGWSB-AAEUAGOBSA-N	239.428	4.533	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1CCC[C@@H](C)C1	168498670	DXWDUGZGDFNANQ-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
Clc1ccc(N[C@H]2C=CCCCCC2)cc1	218835803	BXTJCMNUYRHXBB-ZDUSSCGKSA-N	235.758	4.641	0	10	BJAE	
CCCCC[C@H](O)c1ccc(C2CCCC2)cc1	226286868	UBGBVUJXJGITND-KRWDZBQOSA-N	246.394	4.958	0	10	BJAE	
CC(C)CCCC(=O)c1cc2ccccc2s1	229452932	IKAHBVZMMARFHD-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
Cc1sccc1-c1cccc(C(F)(F)F)c1	230861131	MGWFGWUOSUXBSI-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cc(C)ccc1Cl	232229235	MJSLMZDGURVCLJ-AAEUAGOBSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@]1(CC)CNc2ccc(Cl)cc21	232999838	OAWVJPVCCCFNHA-CQSZACIVSA-N	237.774	4.604	0	10	BJAE	
CC[C@H](c1c[nH]c2c(C)cccc12)C(C)C	233821427	VZHNHAGRPBFWHI-LBPRGKRZSA-N	215.340	4.626	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCCC[C@H]1C(C)(C)C	251101789	DNQWJPGYXQLPQA-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCCC[C@H]2C)C1	251842048	QXVUSUJODITSLZ-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CC2CCCCC2)C[C@H]1C	253196646	TWOBJSFORKEEFP-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C[C@@H](C)CC	300807907	FMOZLKZBDZQRPC-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1sccc1Cl	300951023	XFGXNLHTEXCQKL-JTQLQIEISA-N	245.819	4.618	0	10	BJAE	
C1CCC(CCC2(CNC3CC3)CCCC2)CC1	302242957	GGEBAEHZSNYSDI-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](CNC(C)(C)C)C(C)C	302333059	LBVQERWDIYNKLF-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CC1(C)CCC[C@@](O)(CCC2CCCCC2)C1	305899170	ZGSMNHFAJRXMAP-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC)[C@H](CCCC(C)(C)C)C1	305918303	LBFJMRIJZVRLIR-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)c1cccc(CC)c1	305995134	JXZBBIDNRSIRQD-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC1CCCC1)NCC	306060423	WULODZUQZPXWRI-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)NCC/C=C/CC1CCC(C)(C)CC1	310117666	HLWCHFFCMGFPAQ-AATRIKPKSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(CCCC(=O)C(C)(C)C)CC1	310499502	IXSAYMBOUVAHQB-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C[C@@H]1CCC[C@@H](C)C1	310518670	NAYGZOIXWCTFTI-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCNC[C@]1(CCC(C)C)CCC[C@@H](CC)C1	317358714	ZHUDLEBLIICHPO-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H]([C@@H](C)C(C)C)C1(C)CCCCC1	318885713	NFMSOIXHRGBQKL-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@@H](C)C(C)C	319658504	PTNFMNDJZNJZNM-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cc2cc(C)ccc2o1	319658842	FKYMLEQGESWRQB-NEPJUHHUSA-N	244.334	4.606	0	10	BJAE	
C[C@@](O)(CCC1CCCCC1)C1CCCCC1	379851647	JMYPANSVLZNNMB-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)CC1CCC1	383137641	DVPXWODMAVPQKC-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1C[C@H](N[C@H](C)CC(C)(C)C)CC(C)(C)C1	384500145	OYIZPRCEPNVTTH-MCIONIFRSA-N	239.447	4.616	0	10	BJAE	
CCc1ccsc1C(=O)CCC1=CCCCC1	385642747	DCOUSZIRWUQEJC-UHFFFAOYSA-N	248.391	4.774	0	10	BJAE	
Cc1cn(C[C@@H](C)C2CCCCC2)c(C)c1C	393861268	IAXRQXJXVNBEIY-CYBMUJFWSA-N	233.399	4.630	0	10	BJAE	
CNC[C@H]1CCCC[C@@H]1CCCCCC(C)C	394829908	TUWPQRQBZKJQEZ-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CCCC[C@@H]1C	395131613	GCTHIBICCQKFFO-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCc1sc2cc(F)ccc2c1C(F)F	396199522	OTTPWDALJPYWDU-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C(C)(C)C)[C@H](C)[C@H](C)CC	399210030	UMMWDWBSAYXVEI-KBUPBQIOSA-N	241.463	4.719	0	10	BJAE	
Cc1cc(Cl)ccc1OCCCC(C)(C)C	400870142	ROFGNISFRARMET-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1CC[C@@H]2C[C@H]2C1	403358691	XKOUOLSUGKEBMJ-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)CNCC1(C(C)C)CCC1	687273998	KYNZAHXWCFAOSD-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
Cc1c(Cl)cc(NCC2(C)CC2)cc1Cl	687315515	MTNMYSHGHBPHQG-UHFFFAOYSA-N	244.165	4.514	0	10	BJAE	
CC1(C)CC([C@@H](N)CC2=CCCC2)CC(C)(C)C1	688315362	FADSBYCUUUFBBB-HNNXBMFYSA-N	249.442	4.667	0	10	BJAE	
N[C@@H](CCCC1CCC1)C(C1CCC1)C1CCC1	688419374	ZLGXRDMWOHJZOW-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc([C@@H](N)CCC2CCCC2)c1	688913178	IJSSIWRTWGRFAC-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CCCC[C@@H]2C)c1	688971075	KCYJCHWNRJKYTQ-BBRMVZONSA-N	244.378	4.819	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)CC2CCCC2)C1	689802902	AMTMJNUUPUBUFZ-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](Nc1cccc(C2CCC2)c1)[C@H]1C[C@@H]1C	690161423	WUOLYAQUCLCPGS-ZLIFDBKOSA-N	243.394	4.801	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCCCC[C@@H]2C)c1	691068976	COSGDOUHSGARQD-GOEBONIOSA-N	231.383	4.684	0	10	BJAE	
O=C1CCCC[C@H](c2ccc3sccc3c2)C1	691833146	FGOMRYBQCHLZCY-NSHDSACASA-N	244.359	4.518	0	10	BJAE	
CCCN[C@H](CCC1CC1)C1CCC2(CC1)CC2	695616031	YWDIQAVGFWIUTG-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)[C@H](N)CCC(C)(C)CC	696647055	RIHMUANHGJDGLJ-CQSZACIVSA-N	227.436	4.747	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1cccc(C(C)(C)C)c1	697830697	ZOJURUIXZSHSPT-MRXNPFEDSA-N	245.410	4.730	0	10	BJAE	
CCCCCC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	699045067	RNWPZNDYEAIQSF-IUODEOHRSA-N	224.388	4.598	0	10	BJAE	
CCC[C@](N)(C1CCCCCC1)[C@H]1CC1(C)C	704473477	KGXHPALZMPCIFX-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@]2(N)CCC23CCCCC3)C1	705265489	JZPSPVLWFYFCQG-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CF)NC1CCCCCCCCCCC1	705423966	BNBSMEGJHXQJGZ-AWEZNQCLSA-N	243.410	4.607	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CCCC23CC3)CC1	706960169	WEHQLPVUMCGDRH-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)[C@@H](C)CC(C)(C)C	708257453	YKCHLAARKWWLOB-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
C/C(=C\[C@H](C)CC(C)(C)C)C[C@@H]1CCCCN1	709091239	XZAMQQFHORKKGI-CMOQBRTCSA-N	237.431	4.537	0	10	BJAE	
C[C@H](N[C@H](C)C1CCCCC1)[C@@]12CCCC[C@H]1C2	709157635	WFQZIUINYHDGBN-OHFALNGGSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@@H](O)C1CCCCCCC1)C(C)(C)C	710734949	HEBXNGWDKYPOMS-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H](C)C(C)(C)C)CC1	710753133	LOQRIOLAOWUIRO-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@@H](C)C(C)(C)C)NC	711107312	INKULQSLQYGZCP-UKRRQHHQSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@@]1(C)CC[C@H](C)C1(C)C	713216883	HVLKPENGOFTSCD-HEHGZKQESA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CC(C)(C)C(C)C)C1	713228365	PGVOBWMULDUFJJ-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@](CC)(CO)CC(C)(C)C(C)C	713257754	JGAFYCCTQSPYLE-HNNXBMFYSA-N	228.420	4.638	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C(C)(C)C(C)(C)C	713355860	SGDPWDDWTLHVSB-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
C=C/C=C\CCc1ccc(Cl)c(Cl)c1	713736305	DUGWZULQLZGQEE-ARJAWSKDSA-N	227.134	4.668	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CC[C@H]2CCCC[C@@H]21	714315122	LTDUAJYNNALWHC-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CCC(C)(C)C[C@@H]1C	718688614	FHTDFTBHISTMAY-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
C/C(=C\Cl)CSCCCC(C)(C)C	1641086691	DTICOQDLELEOCQ-CSKARUKUSA-N	220.809	4.689	0	10	BJAE	
C/C=C/CCCCC(C)(C)C(F)(F)F	1885373685	OXORVUVZBXEWSM-SNAWJCMRSA-N	208.267	4.711	0	10	BJAE	
CCNCC(CC)(CC)CCC(CC)CC	1900693690	QJIXBQZBNDCWOV-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
C[C@H]1[C@H](CC2CC(=C3CCC3)C2)CC1(C)C	1901852461	SBOONALQWZHJMG-XHDPSFHLSA-N	218.384	4.949	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CC(C)(C)C)CC1	1902829773	BHKJXBNYWFCPTN-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@@H](C)CCC(C)C	1905307475	FLCGFQDZALEYKX-LSDHHAIUSA-N	227.436	4.569	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1sccc1CC	1905380339	DUHAINAOKTYRNZ-DGCLKSJQSA-N	240.412	4.560	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](NCC)C(C)(C)C	1905452395	CPSAFMFWVAKSHJ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(C)cc1C	1912055449	LNAWFJVVILLXDZ-CYBMUJFWSA-N	202.341	4.763	0	10	BJAE	
CCCN[C@H](C1CCCC1)C1CC2(CCCC2)C1	1912613473	HAXHLZWAVULABE-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@@H]1CCC2(CCCC2)C1	1916436398	IAXSSFPVNOWARN-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CCCCCC1CC1	1919977100	TUVKAPMVVKTDHC-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@@H]1CCCCC1(C)C	1921416276	IKOHAUILYFAOFJ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC[C@@H]1CCCC12CCC2	1921636413	OATVCYUYUOPPSJ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]([C@@H](C)C1CCCC1)C(C)(CC)CC	1924080008	ZYZYMVHWDJHEMH-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
NC[C@H]1CCCC2(CCC2)[C@H]1CCCC1CCC1	1924897073	QYIRSYMOERHUKX-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
Cc1cc(C)c(C[C@H]2C=CCCCC2)c(F)c1	1925835941	QYYWGLPCEFBELT-AWEZNQCLSA-N	232.342	4.731	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@H]1C=CCCCC1	1925891827	KXJWJSGTVHSSAI-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](O)CCCCCCC(C)C	1933352863	KFEZIBDQUGOFSV-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
Cc1c(Cl)cccc1NCCCC1(C)CC1	1935927160	ALGXFEOYKPYZAN-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCCc1csc([C@@H]2CCCC3(CC3)C2)n1	1936184848	YMWFIJSCYDFJEQ-LLVKDONJSA-N	235.396	4.533	0	10	BJAE	
CCCCCC[C@@H](CCC1(C)CC1)NCCC	1940796827	JPNVHDNBIUWUKX-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](C)c1cccc(N)c1	1940976466	MWWJUNVYNIEZLP-IOASZLSFSA-N	231.383	4.589	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)C[C@H](C)CC(C)(C)C	1941267879	YDXXLBVSCRZKRU-ZNMIVQPWSA-N	241.463	4.848	0	10	BJAE	
Cc1ccc(NCCCCCC2CC2)c(C)c1	1941578179	XQILPYXCHUCHER-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)CCCCCC1CC1	1941595915	KHUSUFGNSRWMCZ-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C(C)(C)C1CCCC1	1944642946	ZGJBWRWGNJNMEO-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNc1ccc2sccc2c1	1944846104	MNPYFJYUKLLCRU-WCQYABFASA-N	245.391	4.749	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1CC(C)(CC)C1	1948405886	SNTYSUUKKGDLAQ-YHNBSYBMSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948595422	HBRZSYCLQSMIDT-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1CC1(C)C)CC(C)C	1948850013	UKKPXEYEBKCZMP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2C=CCCCC2)CC1=O	1949657199	YVSJYPFBCYRXOI-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@]1(CNC(C)(C)C)CCC[C@H](C)CC1	1950926031	YWLXTCKSVOFAJE-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC1(c2cccc(NCC3CCCCC3)c2)CC1	1966013889	OACDMHZXNOAVSS-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
CC[C@@H](NCC1CCC=CCC1)C1CCCCC1	1966188636	RGKGPZJSNXGBJU-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)C(COc1ccc(Cl)cc1)C(C)C	1968269475	BRDXGUMTSBJXFJ-UHFFFAOYSA-N	240.774	4.647	0	10	BJAE	
C[C@@H](NC1CCC(C)(C)CC1)C1CC2(CCC2)C1	1969737981	DOEWRMMTZCPXCY-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(N[C@H]2CCCC3(CCC3)C2)CC1	1969738211	LVGFDXKJGMGOKC-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CCCCC1CC(N[C@H](CC)CCCC)C1	1970830368	ULQKWNIJMXJQLK-SHARSMKWSA-N	225.420	4.514	0	10	BJAE	
CC(C)C[C@H]1CC[C@H]1NC1CC2(CCCCC2)C1	1972428720	PKAKNLINENSIEQ-GDBMZVCRSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@](N)(CC)C1CCCCC1	1975998661	PTTLNHHLSGGDIE-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC1(C)CC(Nc2ccc(Cl)cc2C)C1	1984403088	HRJSDHKMIOWMNR-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CC[C@@H](C)Cc1coc2c(C)cc(Cl)cc12	1995465313	ZYHKPWQOQUJGOS-SECBINFHSA-N	236.742	4.983	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H](C)C1)C1(C)CCCCC1	1995990497	HYMVMWYBDSCABW-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@](N)(CC)C1CCCCC1	1996593010	FCGQYXDLLGWJDT-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCC(C)(C)CNC[C@@H]1CCCC[C@H]1CC	1996607376	CRVVWILZZNDGCK-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCC1(CN[C@@]2(C)CCCCC2(C)C)CC1	1997427446	XIWIIHQGCVMINR-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)[C@@H](C[C@H]1CCC=CCCC1)NC	1999990828	MUCPRXNFNHRWPB-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(CCC(C)=C(C)C)CNCC	2000505408	QTJVBOWRUGIUAM-INIZCTEOSA-N	239.447	4.929	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)[C@H](C)CC(C)C	2000517231	ATQLGIPPKGKOLX-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C1(CCC)CCC1	2002511225	IMNOSEOUIJZZOP-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(N)[C@@H]1CCC[C@H](C)C1	2003020380	OAYKPJBYZNRXBS-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCCC3(CC3)C2)cs1	2003288878	WMOMDKUGNDQEAM-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CC(C)=CC[C@]1(N)CCCC2(CCCCC2)C1	2004223846	ADWDNJZDFDSXHO-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@H]1C[C@@H]([C@@H](C)CCC)C[C@@H](CC)C1	2006621497	BDBOLVFXULESAG-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1C[C@@H](C[C@@H](C)CCC)C[C@@H](C)C1	2006624636	RKILJGVEYWQXEC-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1csc2ccccc12	2009593932	PNRSNSUCMPKRFU-BAABZTOOSA-N	246.375	4.681	0	10	BJAE	
C[C@H](CC(=O)C[C@]12CCC[C@@H]1C2)CC(C)(C)C	2011007702	KBHYMJCHIPVBJF-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCCCF)C(CC)(CC)CC	2011185676	AMUOZPWNQAETSB-AWEZNQCLSA-N	245.426	4.711	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)c3cccs3)C2)C1	2011845221	HEDFFJYVBFJAQD-UHFFFAOYSA-N	248.391	4.537	0	10	BJAE	
CC(C)CCCC(=O)CC1C[C@@H]2CCC[C@H]2C1	2011951023	YYMAJWWGKIOSEI-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCCCCCC(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2012002914	RQLIDQIYFZKONH-QKDCVEJESA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2012008721	JRSQOXTXSCWDNV-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)C(C)(C)C(C)(C)C	2015278232	MNULZFARFXJIFM-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)[C@H]1CCCC(C)(C)CC1	2015291495	SSKNOHFUDGVUPS-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(N)CCCC[C@@H]1C(C)(C)C	2015393239	BMRJHILOAPBINL-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](C)NCC1(CC2CCC2)CC1	2015792939	LAEGVVNZBPPXJW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC(C)(C)C(C)(C)C	2016149704	MDCMALOGEWGCIK-CQSZACIVSA-N	239.447	4.783	0	10	BJAE	
CC(C)C(CCC(=O)CC[C@H]1C[C@@H]1C)C(C)C	2017235794	HJLLSKKMDDDFAK-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CCCC1CCC(C[C@H](O)CC2CCC2)CC1	2017652265	FAFMAHSIAFUJOA-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)N(C)[C@@H]1C=CCCCCC1	2019121541	JWSVPPAIALLMKO-HZPDHXFCSA-N	237.431	4.776	0	10	BJAE	
CCC[C@H](C)CN(C)[C@@H]1CCC[C@H](CC)CC1	2019292755	BOUQKTKLYPVYTJ-HRCADAONSA-N	239.447	4.713	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)CCC1=CCCCC1	2019783235	YNNGIILJNOXKJS-JKSUJKDBSA-N	236.399	4.598	0	10	BJAE	
CCN(CC1(CC)CCC1)C1CCCCCC1	2020505031	WIRRTQCYHBZXKE-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@@H]1CCC)C(C)(C)CC	2022486414	WZJRMHQGVSSWEP-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)(CC)C[C@@H]1C[C@@H]1C1CCCCC1	2022551227	GIAFLTVWUNBYRI-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@H]1CCCCCCC1=O	2022553157	DKJSPFUJOPMGKW-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1cc(C)c(C)o1	2026074993	QWPNLOSZPXPLSV-BXUZGUMPSA-N	237.387	4.503	0	10	BJAE	
CCCCc1ccc2occ(CC(C)C)c2c1	2026531006	IXCNZGTXARCAGE-UHFFFAOYSA-N	230.351	4.974	0	10	BJAE	
CC(C)c1ccccc1C[C@@H]1CCCCCC1=O	2027498411	FUKLYZPPBBTJMJ-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)CCC1=CCCCC1	2027877487	DWUVHSQVYXWJCZ-DMRZNYOFSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CC1CCC=CCC1	2028908972	WVHRGUHIKNYOSW-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
N[C@H](C1=CCCCCC1)[C@@]12CCCC[C@H]1CCC2	2031761528	UVHSHKZXDHOUEE-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
CNC[C@]1(CC2CCC=CCC2)CCCC1(C)C	2032105340	INYPUDXTALRZOC-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@@H]1CC12CCCC2	2036107049	PTJYLVOYLVSKMK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC([C@@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037686466	MERQETBWPYGPJY-GRAKBVBRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]([C@H]2CCC(C)(C)C2)Nc2ccccc21	2037694718	OJHUQPVMQODXNB-WWGRRREGSA-N	243.394	4.801	0	10	BJAE	
N[C@H](CCC1[C@@H]2CCCC[C@@H]12)CC1CCCCC1	2038164132	BPOLIVHRWZDCHS-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C=C2CCC[C@H](CCN)C2)CC1	2038861152	DKKKNXUYQRKBNM-CQSZACIVSA-N	249.442	4.668	0	10	BJAE	
Cc1ccc(N[C@H](C)C23CCC(CC2)C3)c(F)c1	2039865489	PNKZUFRMCLORKS-VEAWUBTESA-N	247.357	4.515	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1C[C@H]1CC[C@@H](C)C1	2040166087	MJAOEUCGOVRYMY-NYTXWWLZSA-N	243.394	4.658	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](NCC2(C)CC=CC2)C1	2042077059	XEJBZEZIEKVINF-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@@H](C)c1ccoc1	2042326426	RDXGGTMZAQWJOB-CWRNSKLLSA-N	249.398	4.535	0	10	BJAE	
CCc1cccc2c3c([nH]c12)CC(C)(C)C3(C)C	2042332025	GFFDDLKOWGLGKL-UHFFFAOYSA-N	241.378	4.590	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CCCC2)C1)C1CC(C)(C)C1	2043547273	OTDRJBCFURNLGH-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(C[C@H]2CCC=CCCC2)C1	2045316450	DREOVUOSUOCNQP-IKGGRYGDSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CC(C[C@H](N)C[C@@H]2CCC=CCCC2)C1	2045318900	ZLTBTICTNVCMFK-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC23CCC(CC2)C3)C1	2045451753	LYLAKBHPRXUSNM-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCCC3(CCCC3)C2)C1	2045527065	LUTCFKBUFAICQX-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](c1ccoc1)C1(C)CCCCCC1	2045818721	QBVNLHKHYSSKHV-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CC[C@@H]1CCCN(C[C@H]2CCC=CCCC2)CC1	2046570191	DZEMDKQHSAMRLF-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@@H]1CCC12CCC2	2047927859	GNKQJAVBWGAPJF-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@]1(CCC(C)=C(C)C)CCC12CCC2	2047942871	NIHTTZASYXOLOP-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2048471229	FDLUPBSELOCZSY-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CNCC1(C[C@H]2CCC3(CC3)C2)CCCCCC1	2049852071	BCQMAXGEXCKFBL-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC2(CC2)C1)C1(C)CCC1	2049853718	KPUJWFYKAUJUJI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CCC2(CC2)C1)C1CCCCC1	2049930389	SVNGYQRQCAJPES-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@H](CC)C1)c1ccco1	2050527619	KLHSTWGPHRNGPD-SOUVJXGZSA-N	249.398	4.537	0	10	BJAE	
CCc1ccc([C@@H](N)C2(C)CCCCCCC2)o1	2052468452	CYQOZVOIFFQHSK-OAHLLOKOSA-N	249.398	4.592	0	10	BJAE	
CCN[C@@H](C1CC=CC1)[C@H]1CCCC(C)(C)CC1	2053664423	KYWBTIHMPZIBPY-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@H]1Nc1ccc(CF)cc1	2055677709	JVAYBQVDFKVEOI-WFASDCNBSA-N	249.373	4.783	0	10	BJAE	
CC(C)NCC1(CCC2CC2)CCC2(CC2)CC1	2056559698	WWHQSFPRIBDTAG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1NCC1CC(C2CCC2)C1	2056728285	QTYNGBUTDRCWMP-UHFFFAOYSA-N	243.394	4.542	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C1(C)CCCC1	2056867464	HFIPODNMNYHBRU-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC[C@@H]2C[C@@H]2C2CC2)CC1	2058991992	NYOCOGJBBSPGNG-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@]1(C)C=CCCC1	2059252709	KQKBKHYODAQMNI-UPXOEVQQSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)C1(C)CCC1	2061092488	QIVWBMPISGOPQR-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@@H]2CCC[C@@H](C)C2)CC1	2061099334	OIYDACITOUDIKP-SRABZTEZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](N)(CC1CC(=C2CCC2)C1)C1CCC1	2061671007	BCJKRXYSMFLLRW-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC2CC(=C3CCC3)C2)CC1	2061695703	GYUFQSUSMQQXHD-SWLSCSKDSA-N	246.394	4.662	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](CC2CC(=C3CC3)C2)C1	2061703584	GZXYOXPZGMVQRC-HOCLYGCPSA-N	246.394	4.518	0	10	BJAE	
CCC1CC(C(=O)CC2CC3(C2)CC(C)(C)C3)C1	2063207169	CSPNQRJVDKUOKA-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
NC[C@@H](CC12CCC(CC1)CC2)C1CCCCC1	2065338434	GPFDHRBNMMZBMV-ARWYELJZSA-N	249.442	4.502	0	10	BJAE	
C[C@]12CC[C@H](NC3CCCCCCCCC3)[C@@H]1C2	2065665738	XBGWPTOQXBUXPK-YESZJQIVSA-N	249.442	4.658	0	10	BJAE	
CCCC1(C[C@H](NC)C2(CC3CC3)CC2)CCC1	2069511981	XCPKRGBZTWKSGD-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H](C[C@]23CCC[C@H]2C3)Nc2ccccc21	2070867827	JJCHMQZJFIHDJU-UMPJEAMMSA-N	241.378	4.555	0	10	BJAE	
CN[C@@H](C1=CC[C@@H](C)CC1)C1(C(C)(C)C)CCC1	2071934046	PJRRZUJTEJCEOD-HIFRSBDPSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)CC[C@@H]2C[C@@H]2C)cc1	2072081599	KWRCHZQJUXXCQD-WRFANHODSA-N	246.394	4.670	0	10	BJAE	
CCCC1(C=C2CCNC3(CCCCC3)C2)CC1	2074627307	SXBVMGBNSOSLBD-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C1=C[C@H](N2CC[C@@H]2C2CCCCC2)CCCCC1	2074801801	IYZVHBXLTBSGHI-DLBZAZTESA-N	247.426	4.530	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CCC3(CC3)C2)CC1	2078349047	XDPAESZKZSEDGW-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@H]1C[C@H]1C1CCCC1	2079482087	DBPVJISAUODXSC-JKSUJKDBSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](CC1=CCCCC1)NCC	2079632552	IFCHOAVBPVJMCL-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2C[C@H]2C2CCCC2)CCCCC1	2079839966	YZDUGKDWVIVNAS-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C1C[C@H](C)C[C@@H](C)C1	2080221640	UBNZPNWDJZALJC-CKEIUWERSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C[C@](C)(O)c1cccc(C(C)(C)C)c1	2083542943	CHACCUWECDZSKC-KRWDZBQOSA-N	248.410	4.628	0	10	BJAE	
C[C@@H](CCCC=Cc1ccccc1)C(F)F	2210663269	ZPRJWZXJCUEXIN-LBPRGKRZSA-N	224.294	4.771	0	10	BJAE	
CCC[C@H](C)[C@@](C)(CCC)CN[C@H](C)CC	2212580607	QEZQMMWZHHUULY-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](CC(C)C)C(F)F	2213853709	DAPWWTJCQIWZKT-CHWSQXEVSA-N	249.389	4.615	0	10	BJAE	
CCCSc1ccccc1NC[C@H]1CC[C@@H]1C	2214951952	QORWLNYDBNNGMY-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CCCC[C@H](CCC1(C)CC(C)(C)C1)NCC	2215393990	PCHGXEPVTUIAOU-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC[C@@](N)(CCCCCCCC2CC2)C1	2216883632	MMHSZYRTELDUIW-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)NC[C@H](CC)CCCCC(C)(F)F	2217146835	DBTKKIUBNGGRJO-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2218331765	FOJLYQLRGHHMBO-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C(=O)CC[C@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218373419	JCAXDMUOWSOZPF-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCC1(C2CC2)CC=CC1	2219246982	IFCCWPRARSBLJS-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCCC1CC1)C(C1CCC1)C1CCC1	2220027034	FAYTYJYCPBEJIA-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CN[C@@H](C)C(=C2CCC(C(C)(C)C)CC2)C1	2220367944	HLFNBWJLAWQXJA-QNIGDANOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@@]1(N)CCCCC12CCCCC2	2220853165	QEEKPQAWWWHFLH-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](CCC)Nc1ccnc(C(C)C)c1	2220885914	RFHKOTAGUOKWBS-AWEZNQCLSA-N	248.414	4.976	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)C1CC2(C1)CC(C)(C)C2	2220962878	QYCKMJXHKHGTMR-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CCCC1CC(C(=O)CC2(C)CC3(CCC3)C2)C1	2221086462	RCUATBQIGWDGLP-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)CCC2=CCCCC2)CC1	2221613156	BYIJYMXVZBTQEW-SJORKVTESA-N	248.410	4.764	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1CC12CCC2	2223131881	CRTOYJXKKPIDOT-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
O=C(CC1=CCCC1)c1ccc(C2CCC2)cc1	2223682538	ZLUOMGPBONJBQO-UHFFFAOYSA-N	240.346	4.637	0	10	BJAE	
CCCN[C@H](c1cccc2ccoc12)[C@H](C)CC	2224181221	OUUHPTGWHNYTSQ-DOMZBBRYSA-N	245.366	4.520	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@](C)(N)C2CCCC2)C1	2246681023	UFOVIWFEHSUGEF-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CCCC[C@H]1C[C@H]1C)CCC(C)C	2247125732	AOWULMYNUIPCBA-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2CCC2(C)C)CC1	2247384153	FXJVVSVIFNOHLR-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
C[C@H]([C@@H](O)CCCCC[C@H]1C[C@H]1C)C(C)(C)C	2248856781	WRMYTWSMXFTKJT-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CC(C)(C)C)NCCCCC[C@H]1C[C@H]1C	2248858113	PHEFKBQLKUVTHU-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1CCCC2(CC2)C1	2250357030	UAXBWTNKOGDEHH-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)C1CC=CC1	2250468264	BQXLCGPANGDTRX-GDBMZVCRSA-N	237.431	4.523	0	10	BJAE	
CCN[C@@H](CC[C@H](C)CCCC(C)C)C1CC1	2250469632	QPLHRCIBAYBCNJ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(F)C(C)(C)N	2250521313	AOSCVDAOIWTJIO-UKRRQHHQSA-N	245.426	4.695	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CC(C)(C)CCC1(C)C	2251664078	GOCMPYBLULVFJT-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H]1CC[C@@H]1CC[C@@H]1CCCCC12CC2	2253786872	ZDLISIQZEOQWHA-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
O=C(CC[C@@H]1CCCCC12CC2)[C@H]1C=CCCC1	2253856457	QTFBLKWZHYXPAQ-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)CC1CC2(CCCC2)C1	2254104963	CPJWNTTXTMUSRH-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)CC2CC3(CCCC3)C2)C1	2254106790	JVRWJDALSYGUTB-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)CC[C@H]1CCCC12CC2	2255254989	ZWNPYSGQHKOVQG-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CCCC12CC2	2255328376	VOAVGNLFQXOIHU-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCC[C@@H](C)CC1	2256142185	PGYXTYBSNQESRZ-TZMCWYRMSA-N	249.373	4.769	0	10	BJAE	
CCCc1ccc(C(=O)CCC[C@H]2C[C@H]2C)cc1	2256231005	MZGQVVZQBRRUNZ-CJNGLKHVSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)[C@H]1CCC12CCC2	2257254143	FPHOOLCAFFNAKB-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)C[C@H]2CCC[C@H]1C2	2257316546	RSEJTSZGRCQRSC-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC1CCC(Oc2cccc3c2CCCC3)CC1	2257467031	SPTDBUXWTFBADO-UHFFFAOYSA-N	244.378	4.523	0	10	BJAE	
C1=CCCC(Nc2ccccc2C2CCC2)CC1	2257923669	UIMQPRJGFZPEEN-UHFFFAOYSA-N	241.378	4.865	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CCC=Cc1ccccc1	2259438112	OGYPYBLONWXCKS-DLBZAZTESA-N	246.394	4.667	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cccc(C2CCC2)c1	2259445016	SNDDESWEKVHCRY-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cccc2ccccc12	2259446084	DQLLKNRFFNXFJD-GUYCJALGSA-N	242.362	4.700	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](CC)c1ccc(C)cc1	2259464161	PUNSSJFAHOZDDS-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@]12CCC[C@@H]1CC2	2260492335	QTBVCHSKCYBJMN-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H]1CCNc2ccc(F)cc21	2261348366	LKDZICXZDLUMKX-JHJVBQTASA-N	247.357	4.551	0	10	BJAE	
C[C@@H](N[C@@H]1CC(C)(C)CCC1(C)C)c1ccco1	2261386584	POHXCJLPESEXFS-TZMCWYRMSA-N	249.398	4.535	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](NCC2(C)CC=CC2)C1	2261402558	NHZMZTCBZCWDKI-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@]12CCCC[C@@H]1CC2	2298725731	ROALZVCYABSSGS-OAGGEKHMSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@H](C)CC1CCC1	2298906957	DCORJCOHJSCUHB-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C)C[C@@H](C)CC=C(C)CCCC(C)C	2300881253	RFOACCJEHXINKD-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CC(=CCC[C@H](N)C(C)(C)C)CCCC(C)C	2300901236	HLGNQSAIKGRKLM-HNNXBMFYSA-N	239.447	4.913	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)[C@@H](C)C(C)C	2301923468	JWYCHPTUMOLOET-KBPBESRZSA-N	233.399	4.650	0	10	BJAE	
CCCCCCc1ccc2cccc(C)c2n1	2302229199	QWAZURJUBAFOOK-UHFFFAOYSA-N	227.351	4.666	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)CC(C)(C)C	2302356683	PWRGMYSYQJEYBJ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC(N)(C[C@H]2CCC(C)(C)C2)CC1	2302900470	DNQXNGMGFFEHRR-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@@](CN)([C@@H](C)CCC(C)C)CC1	2303580718	XLICGRLTOVPREN-HOTGVXAUSA-N	237.431	4.524	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H](C)CCC(C)(C)C)CC1	2303597558	RKAXQPKUQOTXMD-CABCVRRESA-N	237.431	4.680	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2(C(C)C)CC2)CC1	2303597761	ULJXIXDVIYOROP-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC[C@@H]2C[C@H]2CC)C1	2303612532	CRCXKXHNPABXBB-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1CCC2(CC1)CC2	2307897256	AEXHTMXOWUHQTM-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H]1CCC[C@@H]2C[C@@H]21	2308614929	CMXVVMQUEHATCI-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CN2[C@H]3CCC[C@@H]2CC3)CC1	2311221302	QGVKRWXEUIETEC-KGASUQACSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@H]1C[C@H]1C1CCCCCC1	2311524596	AWXTTWJDOWNZCH-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
C[C@@](N)(C1CCCCC1)C(CC1CC1)CC1CC1	2313612161	KVHQUWHZEYOSIU-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(N)(CC2CC2)CC2CC2)CC1	2315444873	DMJNQPIAVCVKPK-HDJSIYSDSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@H](N)c1ccc(C(C)(C)C)cc1	2316503408	PVGDMMOTVUQOHY-INIZCTEOSA-N	245.410	4.730	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@@H]1C[C@H]2CCC[C@H]1CC2	2316870202	OSKBRRQYKJDRQO-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@H]1C[C@@H]1C1CCCC1	2316875416	WDKMRTXIOQLXHR-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1C[C@H]2C=C[C@H]1CCC2	2317120635	DVAMSHVGFZCYJA-VQHPVUNQSA-N	249.442	4.680	0	10	BJAE	
O=C(CCC1=CCCCC1)CC1C[C@H]2CC[C@@H]2C1	2317946150	BQCATMUFXTYOEP-HZPDHXFCSA-N	246.394	4.662	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)[C@H](C)[C@@H](C)C(C)C)c1	2317993113	WHJAUXZIPOZING-YSVLISHTSA-N	247.426	4.540	0	10	BJAE	
C1CCC(CC[C@@H]2C[C@H]3CCCC[C@@H]3CN2)CC1	2319777371	GEGDZEQLVKRIJB-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCC[C@H](C)CC2)CC1	2320329022	SCSQUGOXTXYDNX-IAOVAPTHSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)C2CCCCCC2)CC1	2320336052	YATWCXBDJAIDJM-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](NCC[C@H]2CCC[C@@H](C)C2)CC1	2320369736	WUCJPRWHIQJRCQ-KBRIMQKVSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@@]2(C)CC=CCC2)C1	2321612283	ZLXZOLSXWKYSRF-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1cc(C)ccc1C(C)C	2327681940	OIMVRQMNPGBNGZ-CXAGYDPISA-N	247.426	4.815	0	10	BJAE	
CCC1([C@H](O)c2cc(C)ccc2C(C)C)CCC1	2327701888	RPLVYUZAOCXDRY-MRXNPFEDSA-N	246.394	4.732	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@@]2(C)C=CCC2)c1	2327783030	XUVRTNBAKQJFBL-SJORKVTESA-N	244.378	4.508	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cc(C)ccc1C(C)C	2327791856	XAASXRKTEHKYPA-MRXNPFEDSA-N	247.426	4.945	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@@H](C)C2CCC2)c1	2327795216	REIWSQNJFVKVMK-ZDUSSCGKSA-N	244.378	4.737	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cc2ccccc2o1	2328098633	YEDCUBPPEOIDEN-GFCCVEGCSA-N	244.334	4.832	0	10	BJAE	
CCc1ccc([C@H](C)NC2CCCCCC2)cc1	20566034	XSYNEINYVYVGPB-AWEZNQCLSA-N	245.410	4.622	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](NC)C(C)(C)C)cc1	35469030	IUGVMYWRDWUGEH-IUODEOHRSA-N	233.399	4.507	0	10	BJAE	
CCCCN(Cc1ccccc1)C1CCCCC1	38676131	XZJZAHQGXKCVBY-UHFFFAOYSA-N	245.410	4.621	0	10	BJAE	
CCCC[C@@H](NCC)c1cc(CC)ccc1CC	70440838	CJSPULDNHKACCY-QGZVFWFLSA-N	247.426	4.652	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CCC[C@H](C)C2)C1	71154688	YEKMKDASFUDEHD-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](CNC(C)C)CC(C)C	82441752	MTZKVVNWBSMIBT-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
C=Cc1ccc(-c2ccccc2Cl)s1	82762080	OCCIYNBKZABZDU-UHFFFAOYSA-N	220.724	4.712	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1NC1CCCCCCC1	85084395	CQKVTLREYBLNSN-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@H](C)CC[C@@H]1C	85098309	MQXQJYVVECQMGR-FXUDXRNXSA-N	239.447	4.760	0	10	BJAE	
CC(C)c1ccccc1NC/C(Cl)=C/Cl	85977008	GJIPIEQSXLRWRQ-YFHOEESVSA-N	244.165	4.541	0	10	BJAE	
CCCN[C@@H](CCC)C1CCC(CCC)CC1	87964656	HPEHIZMABSJITR-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](N)c1cc2cc(C(C)(C)C)ccc2o1	88074756	BHQCWXZHUGKFSG-CYBMUJFWSA-N	245.366	4.530	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](O)CC(C)(C)C)cc1	90484664	ZKEWWVLWNGOLRF-HNNXBMFYSA-N	248.410	4.844	0	10	BJAE	
CC(C)(C)CC[C@@]1(N)CCCC[C@@H]1C(C)(C)C	103949581	VVEXWHVHFIXJRN-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CCNC1CCCCCC1)CC(C)(C)C	110236900	BRHIZDNYJBHMHM-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H]1CCCc2ccccc2C1=O	110462011	MFQWYLGRNYJWJM-HNNXBMFYSA-N	244.378	4.792	0	10	BJAE	
CCCC[C@H](C[C@H](C)CC(C)(C)C)NCC	124700176	APTZQZMWUYDJNI-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
Cc1cc2c(Cl)c(Cl)cnc2cc1Cl	157012473	ZJDAANKJOVJUTK-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
Cc1cccc(N)c1Oc1ccc2ccccc2c1	158597991	YKXORWDUPDYPOG-UHFFFAOYSA-N	249.313	4.523	0	10	BJAE	
C[C@H]1C[C@H](C(=O)CC2=CCCCC2)CC[C@H]1C	161029031	LFQCLLMLTQLEAG-VNHYZAJKSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccccc1C(C)(C)C	165103246	BORNUAUCVXXUOZ-GFCCVEGCSA-N	232.367	4.603	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CCC1CCCCC1	165305756	WFHDABZRARUPLM-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC(C)C1CCC(O)(CC2CCCCC2)CC1	203348475	OWTSGKHJXYLCNO-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)c1csc2ccccc12	226527549	RLHCSUHAFVBKNC-GHMZBOCLSA-N	244.359	4.520	0	10	BJAE	
CCCCC[C@@](C)(O)[C@H]1CCC[C@@H](CC)C1	226855173	WTJOVFBTNINUET-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)(C)C)C(CC)CC	228692541	MAQPDAQQNIRWAR-ZFWWWQNUSA-N	241.463	4.863	0	10	BJAE	
Cc1ccccc1[C@@H](N)C1(CC(C)C)CCCC1	229432362	IGQHSRQFIXQDEB-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@@H]1CC	229631412	QKKPGMYCJHOOQY-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@@H](C)NCC1(CC)CCC1	232938205	QTWCRCSVGWAKKO-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC2(CC)CCC2)CC1	234058603	TZTRYDFYHFRVQS-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1ccc([C@H](C)CC)cc1	251239415	AJHIWQZGWSPVGS-KEYYUXOJSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C[C@@H](C)CC[C@H]1C	251269510	CVAKCHBNBUTKJR-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](F)c1ccc(-c2ccccc2)cc1	260667177	XJJSCOBXMLWTHE-HNNXBMFYSA-N	214.283	4.774	0	10	BJAE	
C[C@H](CNc1c(F)cccc1Cl)C(C)(C)C	304272224	KTQKHHMJPHTIRS-SECBINFHSA-N	243.753	4.573	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1/C=C/CCCCC1	306041891	UGSPPDFMJDFEKJ-TZCWYCDXSA-N	237.431	4.824	0	10	BJAE	
CCc1cc(SC)c2cc(Cl)sc2c1	306606914	HQKBFOWEJJDESX-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1csc2cc(Cl)c(SC)cc12	306951496	CMCPFKXJXBTAEB-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1cc(Cl)c2ccsc2c1CC	307074440	BKWBUCDQGXGXTL-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)c1cc(C)ccc1C	308000024	OTOLQFKQZSOJQP-WBVHZDCISA-N	248.410	4.799	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](C[C@@H](C)CC)NCC	308040231	AKRDJANDDIAKEA-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CC1CCCC1)NC	308051393	MEMTTYPSDISRDF-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1NCC(C)(C)C1=CCCC1	308752255	CIXJSGMWFLNXQK-IJEWVQPXSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)c1occc1C	311127211	VOHZNVAEVQSEPW-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CC[C@H](Nc1cc(C)ccc1Cl)C1CCC1	322373691	JZOHADNBDFRHPD-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
CCC[C@H](Nc1ccc(SC)cc1)C1CCC1	322660090	FSJRVSDOVZMTIP-HNNXBMFYSA-N	249.423	4.789	0	10	BJAE	
CN[C@H](CCC(C)C)C[C@@H](C)C1CCCCC1	380080659	DUCMNQUZCKGRGD-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(C(=O)CC2CCC(C)CC2)cc1	381038863	VJHAHDKUCVQUGD-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C(C(C)C)C(C)C	381370363	PRQHUMARRJJYHD-QGZVFWFLSA-N	247.426	4.738	0	10	BJAE	
CC[C@H](C)C[C@H](CCCCCC(C)C)NC	383213837	CQHXTLVZHPTQAQ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C1(C)CCCCC1	384490427	KOMUGJVVZYONQT-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CC12CCCCC2	387073849	ZIJSLYSBUNWDGL-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1CC12CCCCC2	387097851	GSOFUHNNUOQKEY-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@H]1C[C@H]1CC	387751364	PXIGAVBKOCEOPX-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CNc1cc(Cl)ccc1Cl	394565284	OGIUKYFUFOOYJU-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
Cc1cccc2sc(C(F)(F)F)c(C)c12	396192148	DODXUJAFTJZBKF-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CSc1sc2cc(C(F)F)ccc2c1F	396260606	ZHQIOUVMNVGVHA-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
Cc1cc2sc(C(F)(F)F)cc2cc1S	396308751	RTLUDWNGXYPREC-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC1(C(=O)C[C@H]2C[C@H]3C=C[C@H]2CC3)CCCC1	402218316	QZFMPPXPUKVBOB-SOUVJXGZSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCCC1CC1)NCCC	405771382	ZYVXOTYTTRPNPR-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC(=O)C[C@H](C)CC(C)(C)C)CC(F)F	688886928	ALSYUOGNCMDMFJ-QWRGUYRKSA-N	248.357	4.699	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CCCC1CCC1	688894308	DWCBQKPLWYXRJB-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)c1cccc(C(C)C)c1	688919606	DKPHESCCCIFBLT-NVXWUHKLSA-N	245.410	4.564	0	10	BJAE	
CC[C@H]1CCC[C@](N)(c2cccc(C(C)C)c2)C1	688920530	KEDUECLQRRHEPJ-WMLDXEAASA-N	245.410	4.564	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H](C)CC1CCCC1	689832581	SGRATMSOBPSKLW-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(N[C@H]2CCCC[C@@H]2CC)ccc1F	690101509	CCRFQZPQTSOAQM-LRDDRELGSA-N	249.373	4.769	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](C)c1ccc(C)o1	691139099	OMDOVIYXNSDXRR-ZNMIVQPWSA-N	249.398	4.598	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCCC2(CC2)C1	696598090	FVDGNJWRHDJVJS-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](CCC(C)(C)CC)CNC(C)(C)C	696808464	XIVPJEJXVPKSLU-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	703732951	GQLSKPIUARBJLL-VBNZEHGJSA-N	233.399	4.738	0	10	BJAE	
CC(C)c1ccc([C@](C)(N)CC2CCCC2)cc1	704925344	HXVWOVDKAJSJLB-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@]2(N)CCC23CCCCC3)C1	705267071	PSSAASGBZFJXEB-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](NC[C@H](C)CC(C)(C)C)C1CCCC1	709078000	UMJQMOPQQIIJJY-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@H]1CCc2ccccc2N1)CC(C)(C)C	709100283	GUSLYPASTMJZLI-ZFWWWQNUSA-N	245.410	4.876	0	10	BJAE	
Cc1cc(OC[C@@H](C)CC(C)(C)C)ccc1F	709104658	BTBBSZCQLKACCG-NSHDSACASA-N	238.346	4.585	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@@H](C1CCCC1)C1CCC1	711830026	BHOPVKACLGPHHS-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1ccc(Cl)cc1	713314556	LCPYCUDOFGZRKE-UHFFFAOYSA-N	238.758	4.595	0	10	BJAE	
C=C/C=C/CC[C@@H]1C[C@H](C)CC[C@H]1CNC(C)C	713709815	LKOOGKDXBZKQOX-QUWVXFTRSA-N	249.442	4.559	0	10	BJAE	
C=C/C=C\CC[C@@H](CCC1CCCCC1)NCC	713766169	XIUPRISBXLOPBT-OSJSJHBBSA-N	249.442	4.847	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC(C)(C)C[C@@H]1O	717540920	OZADWMNSCPCTIY-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)CC1(CNCC)CCC=CCC1	718061405	MJYROEVLEYEEKW-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C)c1ccc(C)c(F)c1	718568536	VQDMUKHHVURWER-CQSZACIVSA-N	249.373	4.531	0	10	BJAE	
O[C@H](CCCC1CC1)c1cccc(C2CCC2)c1	720170468	BPRQFBKLTYFWBO-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)C1(C)CCC1	720772227	SNOPONKLNZXCAY-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCCCN[C@H](CC)CC1CCCCC1	720939536	FRVPDGHGWURYGH-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)CC1CC(C)(C)C1	723531281	DEXFPQIKRAHDHF-JYRVWZFOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CCNCc1c(C)cc(C)cc1C	1308504807	MZZGKCMYWVKMTH-ZDUSSCGKSA-N	247.426	4.528	0	10	BJAE	
Cc1ccc(S[C@@H]2CC[C@H](C)C2)cc1C	1640683543	FUWOBQRBTUWMQB-GXFFZTMASA-N	220.381	4.584	0	10	BJAE	
CCC(CC)CC[C@H](N)C(CC)(CC)CC	1900700362	CPBYOEVXFOHKBK-AWEZNQCLSA-N	227.436	4.747	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Oc1cc(F)cc(Cl)c1	1901681609	FZPZJOIZEWYXHI-UWVGGRQHSA-N	244.737	4.539	0	10	BJAE	
CC1(C)C[C@H]1c1csc([C@@H]2CCC2(C)C)n1	1901911925	KZCOIZAFYVQNQL-UWVGGRQHSA-N	235.396	4.560	0	10	BJAE	
Cc1cc(NCCCC2=CCCCC2)cs1	1901948809	GQVMEPPWSNJRFK-UHFFFAOYSA-N	235.396	4.749	0	10	BJAE	
COC[C@@H]1CC[C@H](CC[C@@H]2C=CCCCC2)C1	1908385101	OLUQCGPCQIYJSL-OWCLPIDISA-N	236.399	4.576	0	10	BJAE	
CC[C@H](C[C@H](N)CCC[C@@H]1C[C@H]1C)C(C)(C)C	1908547489	SPDSCMOVPAFHRG-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@H]2C(C)(C)C)CCC1	1910660884	IHUDVTAGKUNXLY-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@]1(O)CCCC(C)(C)CC1	1910708542	XRTKBIVNXNSKTM-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C=C(CN)C1CCCCC1	1911793803	QLJWPYAGHQIAJG-GOEBONIOSA-N	249.442	4.668	0	10	BJAE	
CCC=CCN[C@H]1CCCC[C@H]1C1CCCCC1	1911836986	ZUIMIKJVLLQDTA-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C=CC=CCC[C@H](CC(C)(C)CC)NCCC	1911902755	MXJGPOVTBHGFFB-OAHLLOKOSA-N	237.431	4.703	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C=CCCCC2)C1	1925768879	MESNVSJIYWIORV-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
O[C@]1(C[C@@H]2C=CCCCC2)CCC12CCCCC2	1925938667	MHPVORLEOIEADF-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CCC(CC)C[C@H](O)CC1(C)CCCCC1	1926384388	AKOZJASZELPGHE-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@H](C)CCC(C)C	1937174370	OUOKJHZCUJEADC-GFCCVEGCSA-N	240.774	4.852	0	10	BJAE	
CCCCC(=O)CCC1C[C@@H](C)C[C@H](C)C1	1939116912	FUQZFWDUKYCWRM-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CCC1(C)CCCC1)NCC	1939122867	QAQNMBRIOPOOSY-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CC[C@@H]1CC1(C)C	1940853241	MBJCOOBZZMEYGL-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C(C)(C)C1CC1	1941140014	OLJVDJZRJTVPCH-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@](O)(CCCCCC2CC2)[C@H](C)C1	1941579736	REEYATQRYFQCSG-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
Cc1ccccc1NC1CCC2(CCC2)CC1	1944602293	OFWRJWQXFTWDGL-UHFFFAOYSA-N	229.367	4.520	0	10	BJAE	
CC1(CC[C@@H](O)c2cccc3sccc23)CC1	1945970335	NLCMDOKDTVFHQD-CYBMUJFWSA-N	246.375	4.515	0	10	BJAE	
NC1(C2=CCCCCCC2)CCCCCCC1	1948951950	OYOGFNLPWXCNAB-UHFFFAOYSA-N	235.415	4.709	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@H](N)CC1(C)CCCCC1	1949066700	MRIMXFZIODGVHM-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C[C@@H](O)[C@H]1CCC(C)(C)C1)C(C)(C)C	1949420968	JPHYXTDMBXZQBB-BFHYXJOUSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@H]1CCC(C)(C)C1	1949518896	NATSABNIBOIVMQ-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)(C)[C@H](N)C1	1949654175	RGBIRIOFBHAUCQ-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CC1(CC[C@@H](O)CC2CCCCC2)CCCC1	1949927043	SNPPFPGABJWRIW-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@H]1CC12CCCCC2	1950624808	QMQBJOSJHPYOFV-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)CC12CCC(CC1)C2	1950956839	CIUDTYPGLXQRPZ-HLIUYOAVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C1(CC)CCC1	1951234993	NNMIWVSMFHWFDK-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCN(C[C@H]1C=CCCC1)C1CCCC1	1966162338	AHICXOJJACKIIV-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1ccc(C2(C)CC2)cc1	1967848451	RHPDUDVEHCASQW-CJNGLKHVSA-N	243.394	4.729	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H]2[C@H]3CCCCC[C@H]32)c1	1968307598	MOEACEXSUQXZOK-FVQHAEBGSA-N	244.378	4.509	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2CC[C@H](C)C2)cc1	1968401823	QOAATWJXCUMINP-KBPBESRZSA-N	232.367	4.625	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1N[C@H]1CCC12CCC2	1968673750	MVRHTRKUFWGJMW-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCC(CC)[C@@H](C)NC1CC(C)(C)C(C)(C)C1	1969176984	MKCXPEASDLMCTQ-GFCCVEGCSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](CC(C)(C)C)NC1CC(C)(C)C(C)(C)C1	1970475354	BQHSLCCCEYGQRT-LBPRGKRZSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1C[C@H]1CCCN1CCCCC12CCCCC2	1972913120	USAKGKVMSCVPNG-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCCC(C)(C)CN[C@@H](c1ccccc1)C(C)C	1973173904	XFYAEYGEAKXOQF-MRXNPFEDSA-N	247.426	4.800	0	10	BJAE	
CCCC(=O)CC1=CC[C@H](C(C)(C)C)CC1	1985314159	XCWGWSFQYUYVCV-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CC[C@@](O)(CCCC1CCC1)CCC(C)C	1986945373	YMURYXGFHXQHQE-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](CC)[C@H](CCC)NCCC	1990093220	IVMVOCOSRHNCNG-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)cc1)C12CCC(CC1)C2	1995988628	PKTAZXUPKKMJDS-XIKARTHZSA-N	249.785	4.721	0	10	BJAE	
CC(C)CCCN[C@H](C)C1CCC(C)(C)CC1	1996553387	PFFMPPNNFCIKLW-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@]2(C)CC=CCC2)C1	1997606847	PDGBMKRABPEHCM-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@@H]1CCC1(C)C	2000483484	MZWKTJITSMDHGS-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1CC1(C)CCC1	2001153944	OJQQMYZGYVBVSR-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C1CC(C(C)(C)C)C1	2002328298	NICDEUYDCWGIAZ-SEEARECTSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@]1(CNCC)CCCC(C)(C)C1	2002972108	OKJHFCYAPKCBPW-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(N)CCC(CC)(CC)CC1	2004337380	QQUJIFLMYHNHHR-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@H]1CCCCCCCC[C@H]1O	2006696894	PIDJWAYUXLQERT-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1ccc(C(C)C)cc1	2009575334	GZPDNIMYFRTOPO-DWTRPJMMSA-N	231.383	4.556	0	10	BJAE	
CC=CCCC[C@@H]1CCCCCC[C@@H]1NCC	2009618416	BLOWYLCQRCVXLF-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC[C@](N)(CC)CC1CC2(C1)CC(C)(C)C2	2011847810	NMVXPJADIIWQHY-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](CCC(C)C)(CNC(C)(C)C)C(C)C	2012439297	FSEPJSLCJONALQ-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC(=O)CC1CC(C)(F)C1)CC(C)(C)C	2013168399	WLEYRKNPVBXOSL-BZUNDVKYSA-N	242.378	4.546	0	10	BJAE	
CCC[C@@H](C)CCNC1CC(CC(C)(C)C)C1	2014656846	QWEGXPCDXLXMIW-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@](C)(O)C2(C)CCCC2)CCC1	2015642552	RJEMRIFXWURWDM-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CN[C@H](CCC=C(C)C)C1(C(C)(C)C)CCC1	2017137533	YBLZVWCTEDZCPS-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC1(C(C)C)CCC1)NCCC	2017140937	LPKUBFNCOHFSMG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C1(CC2(N)CCCCCCC2)CCC1	2017144066	AZCFJGBOOYNYDC-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)C(C)=C(C)C	2017476871	BRLPKYBOPBYKCC-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC1CCC(C[C@](N)(CC)C(C)(C)C)CC1	2017729271	UXZXBQZIKUCIFP-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@H](CN)CC(C)C)CC1	2017730459	HSTHZVQOEVFCNW-JYJNAYRXSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H](N)CC(C)C)CC1	2017732158	YTDKCZCQERIDGJ-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@H](C)[C@H](C)CC)CC1	2019388699	ITFGYRRQYSCRDR-FPCVCCKLSA-N	239.447	4.712	0	10	BJAE	
CCCN(CC1CCCCC1)C1CCCCC1	2020535782	MQOWSHBXKILIBL-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC=C(CC)[C@](C)(O)C1CCC(C(C)C)CC1	2020974845	UXGBEMMVPARLRY-BCLQGDPASA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](O)C[C@@H](CC)C(C)(C)C	2022459201	GCGZYBJUTCTLGJ-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
CCCC1([C@@H](O)C[C@@H]2CCCC(C)(C)C2)CC1	2024126940	ZKGBTUYXBFRLRR-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)C(C)=C(C)C	2025435396	KWJZGVODFMHPCG-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
c1cc(N[C@@H]2C[C@H]3CCC[C@@H]32)cc(C2CCC2)c1	2027316854	NTLOMZMEMGUXHO-HYVNUMGLSA-N	241.378	4.555	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1)[C@H](CC)C(C)C	2028253210	VBGJXAUWRLQZGD-SJORKVTESA-N	247.426	4.718	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1ccccc1C1(C)CC1	2028603595	YIVOZKPGAOTEHF-CZUORRHYSA-N	245.410	4.564	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@@]12CCCC[C@H]1CCC2	2031755946	AEHFVCBOKBCRNQ-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
N[C@H](C1=CCCCCC1)[C@]12CCCC[C@H]1CCC2	2031761524	UVHSHKZXDHOUEE-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
CC1(C)C[C@@H]1CCCN1CCCCC12CCCC2	2032667680	QKYLIBJJGVHUPI-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](C[C@@]1(N)CC[C@H]2CC[C@H]1C2)C1CCCCC1	2035043174	HPUHJAFVXLOYRP-FSDCSDTHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCCCC23CCC3)[C@@H]1C	2035885083	DTEYGQNDGLOZEI-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCC1(C(=O)[C@H]2CCC3(CCCC3)C2)CCCC1	2037671493	FHVKWFZIFQCAJW-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H]([C@@H]2CCC3(CCCC3)C2)C1	2037678144	ITIBHOPHCFYGRU-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC1CC2(CCC2)C1	2038086868	AKXNYWVWXVHJRQ-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)[C@H]1CC12CCCCC2	2038999441	KONKIUBLQGUILN-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@H]1CC12CCCCC2	2039057342	DXOCUXASWRZBBD-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](CC[C@H]2CCc3ccccc3N2)C1	2040119103	FILMPWSYLFTUDF-YCPHGPKFSA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1CC[C@H](CC2(N)CC(C3CCCCC3)C2)C1	2040170321	VUFOTGPWQHOHDN-VBJONLRCSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@@]1(C)CC=CCC1	2042030760	OQQZOANPYIQYNS-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(CCNC[C@@H]2CCC=CCCC2)C1	2045324238	TWAFAHAOXLFSSA-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCCc1ccccc1CC(=O)CCCC(C)C	2045567965	OLKUOGSKCFXFFJ-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@@H]1CCCC[C@@H]1CC	2045795643	ZZXOMXTWOBVYND-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CN(C1CCCCC1)C1CC2(CCCCCC2)C1	2046326676	HPGWARWTWONMQR-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048385268	HVPATJRLVGSGQF-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CN(C1CCCCCCCC1)[C@@H]1CC[C@H]2C[C@@H]2C1	2049782337	HKXUJWHKFBHUQD-ZMSDIMECSA-N	249.442	4.610	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1C[C@H]1CCCC2(CC2)C1	2049853351	DQBWEQXPCHMTJV-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCc2[nH]c3c(C)cccc3c2C1	2051618432	UURBLVDXFIFFSQ-UHFFFAOYSA-N	241.378	4.771	0	10	BJAE	
CC1(CN2CCCC[C@@H]2C2CCCCC2)CCC1	2051668458	KZAGIDWGNCUJNW-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@H]2CCCC[C@H]21)C1(C)CCC1	2052349734	SZBVHDFTTCPCJU-ZJIFWQFVSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NCC2(C)CCCCCCC2)nc1	2052513067	OZFWFKHTVJXPLT-UHFFFAOYSA-N	246.398	4.553	0	10	BJAE	
C[C@@H](N[C@H]1C=CCC[C@H]1C)[C@H]1CCCC(C)(C)C1	2055581438	ZNDKJQGIUYQJBS-WCVJEAGWSA-N	249.442	4.536	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)[C@]1(C)C=CCC1	2056652889	IELIPKGWSMJSKP-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](O)(CC1CC(CC)C1)c1ccccc1	2056662499	UVXKVOBJZUYCBR-VMBOVVBDSA-N	246.394	4.501	0	10	BJAE	
C/C=C/CCCN[C@H]1CCCC2(CCCCC2)C1	2059225965	UEJFOIKZEAIJQJ-KZSQQDEKSA-N	249.442	4.825	0	10	BJAE	
CCCCCC1CC(NCC2CCC=CCC2)C1	2059395174	HKPADFFEIYESBE-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)CC2=CCCCC2)CC1	2061087693	HOQYFUNGCGTWJW-RDJZCZTQSA-N	247.426	4.587	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC[C@]23CCC[C@@H]2C3)C1	2061598330	XZSMBQKPJBEKIV-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@]12CCC[C@H]1C2)NCCC	2061619099	YUGOEUSMTULHNW-BYFHDABZSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(CC)c1NCCC[C@H]1C[C@@H]1C	2062654121	YABPTDCDJOFZPF-BBRMVZONSA-N	245.410	4.660	0	10	BJAE	
C[C@]1(C(=O)CC23CCC(CC2)CC3)C=CCCC1	2065279415	JPLAOZHFEZCLSD-WIHSUSGWSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1C[C@@H]2CC[C@@H]2C1	2068807162	IGDKAVJCEQTAPM-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@H](NCC)c2ccc(C)o2)CCC1	2069343903	DYTLMMSNELGPFU-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CCc1cc(N[C@H](C)CCC=C(C)C)ccc1F	2070396587	BLTZCAVGZPYKRS-CYBMUJFWSA-N	249.373	4.935	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2CCCC3(CC3)C2)CCC1	2071925519	FVYJWIWFDTYOMH-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@H](N)CC2(C(C)C)CCC2)cc1C	2071949780	OZIVAJOMJZVPKS-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
C=C=CC[C@@H](CC1CCC(CCC)CC1)NCC	2072796089	LHANORYCGGNWHI-JCYILVPMSA-N	249.442	4.692	0	10	BJAE	
CC[C@](N)(C[C@]12CCCC[C@@H]1C2)C1CCCCC1	2074023253	BHDUEDGWXAYEEQ-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CC1(C(=O)C[C@@]23CCCC[C@@H]2C3)CCCCCC1	2074111717	FIPHSLOCLBAOKH-PBHICJAKSA-N	248.410	4.886	0	10	BJAE	
CC(C)(CC[C@H]1CCNC2(CCCC2)C1)C1CC1	2074140460	AYTLBKTZCJGWIY-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC(=O)[C@@H](c2ccccc2)C(C)C)CC1	2074598134	WGJKLCGWPIJKGZ-MRXNPFEDSA-N	244.378	4.576	0	10	BJAE	
CCCC1(CC(=O)c2c(C)cc(C)cc2C)CC1	2074600784	HWUIZFQVEIAKGB-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CCCCC12CCCC2	2074897948	ZGEHISQAUITVCS-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
CCC[C@](N)(C[C@H]1C[C@H]2C=C[C@H]1CC2)C(C)(C)C	2075813054	BJKFUAHFAOEQIT-MPTYRVRUSA-N	249.442	4.523	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2C[C@@H]2C2CC2)CCCC1	2079328795	NVHFHOJHJOQYJF-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@H]2C2CCCC2)CCCCC1	2079437025	YZDUGKDWVIVNAS-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CCC1(NC[C@@H]2C[C@H]2C2CCCC2)CCCCC1	2079649793	GUTIJEOFHSKOOB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1C[C@H]1CC1(CNC(C)(C)C)CC=CC1	2079671245	PFMMQMBGAQHLQG-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@H]1C[C@H]1C1CCCC1	2079870702	NIIULXCYCBUKHX-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@H]2CC[C@@H](C)C2)c1	2082957773	OFJKYDQCNFMBLK-ABAIWWIYSA-N	244.378	4.621	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(C[C@@H]2CC23CCCCC3)C1	2085307398	IQIKEGKIJIBCHX-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
Cc1sc(Cl)cc1C/C=C/c1ccccc1	2210663211	YWBWILIAEVPWSL-VMPITWQZSA-N	248.778	4.966	0	10	BJAE	
CCCCCC[C@@H](N)c1sc(C)c(C)c1C	2211699900	CRUCXWPTZJJNSO-CYBMUJFWSA-N	239.428	4.644	0	10	BJAE	
CCCC[C@](C)(CNC)CC1(C)CC(C)(C)C1	2215397393	CHVHDIDXMLSBCS-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC1(C)CC2(CCC2)C1	2215401913	RXTXYSFXPYPOMR-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)NCC(CC)(CC)C[C@@H](C)C(C)C	2217125822	RSMZTQDJKGUOLH-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@](C)(CN[C@@H](C)CC)CC1CCCC1	2217142240	VLAHEQHMHORLAX-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CCCCC(C)(F)F)CN[C@H](C)CC	2217146834	DBTKKIUBNGGRJO-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C1C[C@H]2CCC[C@H](C1)C2	2218334906	OIRMNDKEAPFOKE-YXWQFLTLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)[C@@H]2CC(N)(CCCCCCC3CC3)C[C@H]21	2218720841	MNYNIRVTYJXBNQ-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCC1CC1)c1ccc(C2CC2)cc1	2220010724	AIYDKTYNZBWPFX-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCN[C@H](CCC1CCC1)C1(C)CC2(CCC2)C1	2221000401	DKPWHSYKJIVAFK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](N)[C@@]2(C)CC=C(C)CC2)CC1	2221631134	LZIQXCYZLSVBHH-GQGLESIBSA-N	249.442	4.667	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H](C)C2CCCCC2)CC1	2221644987	VTWJPRFJSYFDPV-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2CC=C(C)CC2)CC1	2221667624	MALDLGPNODXNRK-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC=CCCCc1sc(C)c(C)c1C	2241332507	UTZPUSYMTQYMBU-UHFFFAOYSA-N	208.370	4.572	0	10	BJAE	
CCCCCCNc1cc(C)c(C)c(C)c1	2244259461	JOODGTDPLZVAIP-UHFFFAOYSA-N	219.372	4.604	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cscc1C(F)F	2244778946	BSSCUJBLQVQMSH-LDYMZIIASA-N	248.338	4.545	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@@H](CC)CCC	2244787031	YUQCNLOGRQTCHF-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)C(C)(C)C	2244835389	DIHUGLMWJTWOHF-UONOGXRCSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](O)CCC2(C)CC2)C1	2246662984	CSGOUGURNWODGX-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@](C)(O)C1(C)CCCCC1	2247350938	VQESFWSQUJXONK-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC1(C)C)C(C)(C)CC	2247412493	AMWZELAMQFKXFY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@H]1CCC1(C)C	2247444364	MGQWQIIJFBKJNZ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(=O)CC1=CCCCC1)C(C)(C)C	2247456819	OKDUDVVGOWPEIS-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H](C)[C@@H]1CC12CCC2	2248264538	FOSLYVPWSGKSSU-YPMHNXCESA-N	249.785	4.639	0	10	BJAE	
CCCC1(C(=O)CCCCC[C@@H]2C[C@H]2C)CC1	2248811198	ZLEDOXMYTJUXFS-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)CCC(C)(C)C	2248818676	DKLHJXGPNKALBN-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCC1([C@H](O)CCCCC[C@H]2C[C@@H]2C)CCC1	2248842776	RCFKCJAVDXXOSG-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H](CC)CCC	2250360268	HDHIACDLOLNUKV-CYBMUJFWSA-N	232.367	4.648	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CC[C@@H](C)NC1	2250475945	MWWLRQSUZXSMIU-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(CN)CCCC1	2250519084	VHIVEOOBJOMIOI-HNNXBMFYSA-N	239.447	4.748	0	10	BJAE	
CC[C@](O)(CC1CC(CC(C)(C)C)C1)C(C)C	2251492458	LQOIMIWRLCNCLL-XUJLQICISA-N	240.431	4.636	0	10	BJAE	
CCCNCCCCC1CC(CC(C)(C)C)C1	2251534043	GOGWILYDVCUCFX-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1ccc2ccsc2c1	2253066232	WQOOOKISTMDZNG-SMDDNHRTSA-N	247.407	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNC2(C)CC3(CCC3)C2)C1	2253952058	QCWMGMPYCVBOCS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NCC1CC2(CCCC2)C1)C1CCC1	2254071885	JJVWAGFJFAWKSV-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNc1ccc(C2CC2)cc1	2254506894	XKWAGBFPBVXUMI-CJNGLKHVSA-N	243.394	4.802	0	10	BJAE	
Cc1cccc([C@H](N)CCCC[C@@H]2C[C@H]2C)c1C	2254609070	LUZYBPMJUHIZGU-FRFSOERESA-N	245.410	4.520	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cccc(CC(C)C)c1	2259437710	MOVMKGVEJGLYGQ-OAHLLOKOSA-N	246.394	4.894	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@]23CCCC[C@H]2CC3)CC1	2260535878	DFQFUCHGDQVNPY-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC1(CNc2cccc(C3CCCC3)c2)CCC1	2260675055	PNWYWBTZNFDALC-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CCC1=CCC[C@]1(N)CC1CC(CC(C)(C)C)C1	2261264481	TYTQFJOCWIFWFI-KVULBXGLSA-N	249.442	4.667	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@]12CCCC[C@@H]1C2	2300501298	LORAFRACDOIAGN-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Nc1cc(C2CC2)ccc1Cl	2300672284	TWCLIXFYTQIUDP-YGRLFVJLSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CCC1(O)CCC(C)(CC)CC1	2300679450	SQUYKRHNZXHIPT-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1C[C@@H]1C1CCCC1	2300703842	KVGJUYKUPVZUHJ-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CC1CCCCCC1	2301137696	MDDBNDKMUUACCS-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
N[C@H](CCC1CCCCCC1)CC1CCCC1	2301148002	PLRRCCODMBQUPE-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC1CC(Nc2cc(F)ccc2C(C)C)C1	2301911926	CHGUCCFJRVUUCG-UHFFFAOYSA-N	235.346	4.550	0	10	BJAE	
NC1(CCCC2=CCCCC2)CCCCCC1	2302350687	ALKGAHFVBBWDMA-UHFFFAOYSA-N	235.415	4.709	0	10	BJAE	
CCNCC(C)(C)CCCCC1=CCCCC1	2302358752	JTRAYOKZGMQKIN-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC1(CCCC(=O)[C@@H]2CC[C@@H]2C(C)(C)C)CC1	2303396932	CZANJERUXIUJNR-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H]1CC[C@H]1C(C)(C)C	2303446016	UZVGVYOGSJPLSL-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1CCC(C)(C)CC1	2307824576	WYMSXWRKVAICBR-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CNC(C)(C)C)C(C)C	2307833196	ZKPUVEUMZZUFQF-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309167441	YBCDFGILHMRCCG-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C[C@@]23CCC[C@@H]2C3)c2ccccc2N1	2310883089	YWGAPAOIGPRTAX-SZOQZIPDSA-N	241.378	4.555	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1C[C@H]1C1CCCCC1	2311539008	QJPWNTZSTXXPRP-HYVNUMGLSA-N	249.442	4.680	0	10	BJAE	
Cc1ccc(OC(CC2CC2)CC2CC2)c(C)c1	2313660010	IARBMEJSAJVZIY-UHFFFAOYSA-N	244.378	4.651	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC1CC(=C2CCC2)C1	2315945190	APFCGMNQCZAZNN-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC(=CC[C@@]1(N)CCC2(CC2)C1)CCCC(C)C	2316534016	ALKXCQGRYMEWBM-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CCC[C@H]2C[C@H]21	2316536981	PLGRTNNVGWMLJC-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316790298	IDTGRPUOXUWLJK-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
C1CCCC(CC2(C3CCCCC3)CNC2)CC1	2316881048	MROCVXJTZAXGPP-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1CCCC12CC2	2317015066	FJPMJSFITUDHAB-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)CC[C@@]12CCC[C@@H]1C2	2317906321	GUDLPIIFFFMFBC-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCCCC2=CCCCC2)[C@H]1C	2318556498	AIKSUZUQTNZLJI-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CC[C@@H]1CC[C@@H]1C1CC1)C1CCCCCC1	2319694382	XOHPVBZGRNJQCC-USXIJHARSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@H]2CC[C@H]2C(C)(C)C)c1	2320153642	MIXVRCSDFBPQLU-DZGCQCFKSA-N	244.378	4.558	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@H]1CCC12CCC2	2320219597	MZHVEXKBSKTIOG-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC1(N)CCC2(CC1)CC2	2320255776	AJBYTNBCTVXHRN-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(NC[C@H]2CC[C@H]2C(C)(C)C)c1C	2320319138	DLBKMGOPVYJESO-HUUCEWRRSA-N	245.410	4.788	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)C[C@H]3CCC[C@H]2C3)C1	2321603829	WERMJNJNPQLBHU-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)c1cc(C)ccc1C	2328283665	ZHROKOVJKYSUNB-RDJZCZTQSA-N	247.426	4.694	0	10	BJAE	
Cc1ccc(-c2cc3cccc(F)c3[nH]2)c(C)c1	1517407	HMCDDLSLILYADM-UHFFFAOYSA-N	239.293	4.591	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H](C)CC(C)(C)C1)c1ccccc1	21013097	WIVXLGBRRYXYGB-OFQRWUPVSA-N	245.410	4.552	0	10	BJAE	
CN[C@@H](CC1CCCCC1)c1ccc(C)c(C)c1	35457193	ORPGZCOFQXNELY-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@@H](c1ccc(CC)cc1)[C@H](C)CCC	35582591	DWFUDXLEWMZGFC-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(Cl)cc(Cl)c1	37199579	OQCSPNPXETYJED-SECBINFHSA-N	246.181	4.984	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(C)cc2F)C1	71107605	IFAXTSVDSTYQSQ-STQMWFEESA-N	235.346	4.515	0	10	BJAE	
CCCN[C@H](CCCCC(C)C)c1ccccc1	80425294	KTVUSVBOXNTMHG-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC[C@@H](C3CC3)C2)c1	81624146	XDOANOVDEGZCKI-HZPDHXFCSA-N	243.394	4.684	0	10	BJAE	
CCCCCC[C@](CC)(CCCC)CNC	82441823	DBUAWCWHZWMNFT-HNNXBMFYSA-N	227.436	4.763	0	10	BJAE	
CCC1CCC(CC[C@@H](O)c2ccccc2)CC1	85083088	OGIMKDMTSOFAEG-VMBOVVBDSA-N	246.394	4.717	0	10	BJAE	
Cc1ccc(C(=O)C2CCCCCCC2)cc1	86578450	NZAGEGWEJZOHNU-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCC[C@@H](NCC)c1ccc(C(C)(C)CC)cc1	90483494	WWJPHOCLCJUMHU-MRXNPFEDSA-N	247.426	4.825	0	10	BJAE	
CC(=O)CCCCc1ccc(C(C)(C)C)cc1C	98128293	YVFSOEDPCVVYHB-UHFFFAOYSA-N	246.394	4.594	0	10	BJAE	
CCC(C)(C)[C@H]1CC=C(N2CCC(C)CC2)CC1	103540574	FJONAVADOCHPDX-HNNXBMFYSA-N	249.442	4.839	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)CC1CCCC1	109704164	XSTTWPLXQNZTLF-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
C[C@H](N[C@H](C)C1CCCCC1)C1CCCCC1	109950611	MOXZXKYKIRWACN-OKILXGFUSA-N	237.431	4.514	0	10	BJAE	
CCCCCCC1(CNC(C)C)CCCCC1	110200581	PCBAYKNTUIGELV-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
Fc1cccc(-c2ccccc2C(F)(F)F)c1	112731996	AVOOPCIRPRGDTK-UHFFFAOYSA-N	240.199	4.512	0	10	BJAE	
CCC[C@H](C)CC1(N)CC(C)(C)CC(C)(C)C1	125003926	FIVZHGHELCOHFD-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1csc(-c2ccc(Cl)cc2)n1	134609083	HXHOTUCWOHNEDF-UHFFFAOYSA-N	237.755	4.587	0	10	BJAE	
CC(C)CCCOc1ccc(C(C)C)cc1	165056137	HHCIFIKZAUHFMC-UHFFFAOYSA-N	220.356	4.625	0	10	BJAE	
CC(C)CCCc1ccc(C(F)(F)F)cc1	196714913	GCADHSGHIZIRSI-UHFFFAOYSA-N	230.273	4.684	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C1=CCCCCC1	203421838	XJVOZFHMJXKYPT-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](CC)c1ccc(C)cc1	212709215	PXMWYXBRRMEOPA-DLBZAZTESA-N	247.426	4.657	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](CC)CCC	226002649	QFCBGNKZDVSZDS-KBPBESRZSA-N	213.409	4.514	0	10	BJAE	
CC(C)Cc1cccc(-c2cc(Cl)ccn2)c1	227694163	NUAOANWNNDPYNF-UHFFFAOYSA-N	245.753	4.601	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CCCc1ccccc1	229332119	HOLSDZAZOWHFCG-SJORKVTESA-N	248.410	4.587	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)CC1CCC1	229739191	BTSSCIJEFAKDQA-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)CCCC(C)C	232558741	RITBSURFEHLBOE-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCCCC[C@@H](C)[C@@H]1CNc2ccc(F)cc21	232955623	KVXVNXUTJACDER-RISCZKNCSA-N	235.346	4.551	0	10	BJAE	
CCC[C@H](C)[C@@H](CNC(C)C)c1ccccc1C	233346982	WXDXFWVDLGSMLC-WMLDXEAASA-N	247.426	4.513	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@H](C)[C@H](C)C1	300689542	HQBQWTRXERMREZ-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CCCCCCNCC1CCCCCCC1	300836247	IREBIHSBMPRICK-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
CCCC[C@@H](C[C@H](C)CC(C)C)NCCC	300858857	GEAILVRSHMRITD-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Cc1cc(C(=O)CCCC(C)(C)C)sc1C	300881665	OPFYWTIDQORMQY-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)[C@@H]1CCCCC1(C)C	302263706	CBIMLEMZFCAJPH-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)c1csc([C@H]2CCC(F)(F)C2)n1	304152440	HWPRANWUBXZJNQ-BDAKNGLRSA-N	245.338	4.559	0	10	BJAE	
Cc1ccc(-c2[nH]c3ccccc3c2C)s1	309352057	PULMWAWPWJCNKT-UHFFFAOYSA-N	227.332	4.513	0	10	BJAE	
C/C=C\CCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1	310046443	OPQARDZATPOVDG-JBZXTQMFSA-N	237.431	4.537	0	10	BJAE	
CCC1(C[C@@]2(C(C)C)CCCCCN2)CCC1	310149944	OUYWYSSRXAJAGW-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](NC)c1cccc(C2=CCCCCC2)c1	310629741	MNBKSSXJACFKTJ-KRWDZBQOSA-N	243.394	4.705	0	10	BJAE	
Cc1cc(C)cc(N[C@H](CCC(C)C)C2CC2)c1	310679902	RIBKEXLDQLEYKG-QGZVFWFLSA-N	245.410	4.930	0	10	BJAE	
Cc1cccc([C@H](N)C[C@@H]2CCC[C@@H](C)C2)c1C	311031784	SVQVBLKQANICBN-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1ccc(Cl)c(C)c1	320197351	QBDUYRBFUBQFGZ-KOLCDFICSA-N	238.758	4.513	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)C(C)(C)C1CCC1	322327394	TZAPREXLYMSBFI-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)CCCC/C=C\c1ccccc1	324180169	SEARBBDERMDEOQ-IYCSXQJISA-N	245.410	4.648	0	10	BJAE	
CC[C@@H](CCCCCC(C)C)CNCC(C)C	383213928	CQZGWTKGIDIKJU-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H]1CCCC[C@@H]1C	384858159	NLEOPZNQNOVQJU-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1([C@H](O)CCC2=CCCCC2)CCCCC1	386207885	CZJWLFDNMGAAEK-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
Cc1oc(C)c([C@@H](O)CCC2=CCCCC2)c1C	386224388	FYXARTOFCVUJMI-HNNXBMFYSA-N	248.366	4.519	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C1=CCCCCCC1	395124700	NIOLDFHMZRORDG-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CCc1cc2c(S)cc(C(F)F)cc2s1	396232775	CUJPXFNDKHFCDM-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CSc1c(C(F)F)cc(F)c2ccsc12	396237321	IZZUCZQCFRZRSX-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCOc1cc2c(C(F)F)cc(C)cc2s1	396247115	QLWAGFBFHNSKFT-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
COc1cc2c(Cl)ccc(C(F)F)c2s1	396288703	IBMAJRIPXZYFDG-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C[C@@]2(C)CC)CC1	397488549	XNPNJCVNZFUOEQ-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)[C@H](C)NC[C@H]1CCCC[C@H]1CC	401969361	XVTUZCVWSAKTBD-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1C[C@H]2C=C[C@H]1CC2)C(C)(C)C	402117450	BKWGKRCBJJSJDL-ZQDZILKHSA-N	248.410	4.620	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1CC[C@H]2C[C@@H]2C1	403847635	ROXIGYDSTUPMDT-ILXRZTDVSA-N	243.394	4.658	0	10	BJAE	
CSc1cccc(N[C@@H](C)CC2CCCC2)c1	689836779	MDWUYRAQJGDWOL-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC[C@H]2C[C@H]21)C1CCCCC1	691753199	FEFHAHMQMNCDKL-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)C(C)(C)C)c1	695658392	NVIHEPKXDFBOFP-LBPRGKRZSA-N	233.399	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2CCCC3(CC3)C2)C1	695689199	KQUDESWOVFCUME-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCCC[C@H]1C1CC1	696105939	RZEPDICUMTVXOU-XJKSGUPXSA-N	247.357	4.515	0	10	BJAE	
OC[C@H](CCC1CCCCC1)C1CCCCC1	696822045	HDWGPWYUSNJRPV-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H]1C[C@H]1C(C)(C)C	699993107	BPTSMEDOLBVHHB-XHSDSOJGSA-N	246.394	4.526	0	10	BJAE	
CCCCC1CCC(N)(CCCCCF)CC1	702046883	WEILRWUMUABGEG-UHFFFAOYSA-N	243.410	4.594	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)C[C@@H](C)c1ccccc1	708286377	QLENNZUNCOUYFQ-IJEWVQPXSA-N	247.426	4.580	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@]23CCCC[C@H]2C3)cc1C	709115988	VLVKEHUMSMDFCZ-VYDXJSESSA-N	243.394	4.684	0	10	BJAE	
CCC[C@H](CNC(C)C)C[C@@H](C)CC(C)(C)C	709128562	SBAIOBPIMRUJDJ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CC[C@@](C)([C@H](N)CCC(C)(C)C)C1(C)C	710768598	RNLYIILJQRBFQZ-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@H](CC)C(C)(C)C	711071658	OAWKCFKGFRXJFU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC[C@H](C)C(C)(C)C)C(C)(C)C	711222473	CAJPGLBOEKMOTR-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC1CCC(C)(C)CC1	711289903	TXYVXFJHSIQWBM-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCCC(C)(C)CC1	713148314	ZSUOUWDUJMRBOW-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
C1CCCC(CCNC2(C3CCC3)CCC2)CC1	717883973	ACHWEEVWWGCVDD-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)C[C@@H](C)CC	718590222	SPKVNURDNZQGAV-HOCLYGCPSA-N	239.447	4.927	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CCCCCC1	719176322	LBDYLAWCAQZQKX-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CC1(CN[C@H]2CCCCCC2(C)C)CCCC1	719282621	AAHNGDBWXBKSDX-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
c1coc(CSCCC2CCCCCC2)c1	1559326435	FTTRJHXAKSYKSI-UHFFFAOYSA-N	238.396	4.873	0	10	BJAE	
CC[C@@]1(C)CCCN(C[C@@H](C)CC(C)(C)C)C1	1641870092	IXVSZECVHPZWHC-HOCLYGCPSA-N	239.447	4.571	0	10	BJAE	
Clc1ccc(CCSC2CCCC2)cc1	1643429447	DGIFFJLAFGNEMS-UHFFFAOYSA-N	240.799	4.558	0	10	BJAE	
CC(C)C[C@H](C)S[C@H]1CCc2ccccc2C1	1656716805	AYDVQQNCCLZCOA-BBRMVZONSA-N	248.435	4.712	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1NCC1CCC=CCC1	1665723903	RDBJTIJWQCXENX-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
BrC=C[C@H]1C[C@@H]1C1CCCCCC1	1883908374	QGCBRBUUQVLQGE-NWDGAFQWSA-N	243.188	4.502	0	10	BJAE	
CCC[C@@H](CC)CN(CCC)Cc1ccccc1	1893755462	GZGBVGXBFGEHNA-MRXNPFEDSA-N	247.426	4.725	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@H](C)CC1CC1	1899400972	KNKFKGUULTWJRL-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CCCC(C)C	1900858271	NRILEYZDHDUEDP-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)CCCCC1CC1	1902155614	LNZCOMREHAJWEP-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC(C)CNCCC=CCCC1CCCCC1	1911849526	LKEOTSLIJJYGFH-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)c1ccccc1C	1911985798	LIGCVOHZDQQSKK-QGZVFWFLSA-N	243.394	4.558	0	10	BJAE	
CC(C)(C)NC[C@@]1(CCC2CCCC2)C=CCC1	1916336436	CMNNWGPESVWCNX-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](C)(CN)C1CCCCC1	1924097542	CECQSPYTRYKTPC-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)CC1CCCCC1	1924126004	PCXAPQPNYMXRAF-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
OC[C@@]1(C[C@H]2C=CCCCC2)CCC=CCCC1	1925941275	UUMWMMLUWJAYRO-IRXDYDNUSA-N	248.410	4.622	0	10	BJAE	
CCC(CC)CCNC1CCC2(CCC2)CC1	1926144359	KQWJVNPZTWGNAH-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](CN)CC(C)C	1938138919	YCXHDLRJFUYEPM-LSDHHAIUSA-N	227.436	4.604	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)CC2(C)CCCCC2)C1	1940405921	BKDVEZFNGNUIQX-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@@]2(N)CCCCC2(C)C)CCCCC1	1940407161	OQVATKGAMVNINK-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](CCC(F)(F)F)Nc1cccc(C)c1	1940761377	IAVHVHHJCXZLKL-LLVKDONJSA-N	245.288	4.528	0	10	BJAE	
CCCCCC[C@@H](CC[C@@H]1CC1(C)C)NCC	1940857355	WMKMVLLZJPWOAO-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1ccc(C(C)C)cc1	1941244796	ZZWSZTWMKLCMOI-CVEARBPZSA-N	234.383	4.526	0	10	BJAE	
CCC(C)(CC)CNC[C@@H](C)C1CCCCC1	1941357648	OFLXTXCASZIXFD-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCCC1(N)CC(C2CCC2)C1	1942149801	JLTXXVCUXFPNJI-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@@H](C)CCC(C)C	1942663750	VAKBGHNJGWGJDY-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@@]1(N)CC(C)(C)CC2(CC2)C1	1943082436	ORACAEBWSIZULM-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H](N)C(C)(C)C1CCCCC1	1944666668	UBODAZHZJYMOMZ-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C(C)(C)C(C)C	1944678382	AAPVDGCMWIVHQU-HNNXBMFYSA-N	239.447	4.783	0	10	BJAE	
CCCC1(NCC2CCCCCCC2)CCC1	1945282466	KOMLEWKLYBDOBD-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@@H]1Oc1cc(C(C)C)ccc1C	1945669749	RPJVXUMGFIPXHW-BJJXKVORSA-N	232.367	4.542	0	10	BJAE	
CCCCC[C@H](C)NC1C[C@H]2CCCC[C@@H]2C1	1946283908	HNXFKRHXBWAJLA-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCC[C@H]1CCC	1947460647	HAHKBFIAFOBWEC-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CCC(F)(F)CC)CNC(C)C	1947889263	USSTUIYVTZLAAF-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCCC1([C@H](N)CCC(C)(C)C2CC2)CCC1	1949034003	PKRVXIIPJMKEPP-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H]1c2ccccc2NC[C@@H]1C	1949113155	VNSDXKDEPZPRAH-KBPBESRZSA-N	231.383	4.658	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)C=CCCC1(C)C	1949663478	WZABVUOKNQFWGU-BBRMVZONSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)CC1CC2(CCC2)C1	1949738813	VZMMGFLNAOZBRD-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC[C@H](O)CC1CCCCC1)C(C)(C)C	1949907171	LGQNBMWKSJJNSZ-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CCCCC(C)C)CC1CCCCC1	1949918641	SRVSHPNMYXHKHE-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@@H]1CC12CCCCC2	1950642031	NEISFSRNPVIJPM-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC)CCCC(C)(C)CC1	1950912954	CJBXHWLDBDEAGC-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H](C)C(C)(C)C)CC1	1950925676	VOONXXPWNLLUHR-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CCCC(=O)c1ccsc1Cl	1959884537	WWNHIGQAUGQQLB-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
CCCCN(CCC1(C)CC1)C1CCCCC1	1963219221	QSCLTGMIZDGXJJ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
Cc1ccc(N(C)CC2C[C@@H](C)C[C@H](C)C2)cc1	1964110380	URJAGOKHIHNYJR-GJZGRUSLSA-N	245.410	4.504	0	10	BJAE	
CCN(CC1CCC=CCC1)c1cccc(C)c1	1966144059	LTMRCXBGIFXTML-UHFFFAOYSA-N	243.394	4.568	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1CC2(CC2)C1	1968602111	GFKWENHSCXTXLS-UHFFFAOYSA-N	243.394	4.721	0	10	BJAE	
CC1(C)C[C@H]1CN[C@@H]1CCCC2(CCCCC2)C1	1969588488	CRPZTZAXHCUNCR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCCCCN1C[C@H]1CCCC2(CC2)C1	1970730624	UZONMASWZJHENA-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC1(CN2CCCC3(CCC3)CC2)CCCCC1	1972252000	DYYQWQQREDRVBQ-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CSC(C)(C)CC(=O)CCCCCC(C)C	1978455190	HJCQJBMFPSCKBV-UHFFFAOYSA-N	244.444	4.694	0	10	BJAE	
CCC(C)(C)CC[C@H](N)CC1(C)CCCC1	1980384074	ZXYPDAICDJOBOR-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)CC[C@@H](O)c1ccccc1Cl	1980681796	PQKUWPPGAXYFES-SMDDNHRTSA-N	240.774	4.590	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)C1(C)CCCCC1	1995992480	YRGZZDHQQIHUCF-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C)C[C@](C)(N)C1CCC(C)(C)CC1	1996593663	HOLVBQNVAOROKN-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCC[C@@H](CC)CC1	1997117237	PPBHLXGDFBTPMZ-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
CC(C)=C(C)CCNC[C@H]1CCC[C@H](C)CC1	1997211750	QBLGBZGWAIFANQ-HOCLYGCPSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)CCC1CCC1	1998029558	GYXWLWJGGFSSHP-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H]2CCCC(C)(C)C2)C(=O)C1	2000098000	YAKGROWPFLYAMM-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCCCCC1CC1)CCCC(C)C	2000258053	ZCBVUQJNWJYKAJ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C[C@@H](C)CC(C)C	2000306579	CSSKJQLTUIOTIJ-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
C[C@H](NC1CCCCC1)[C@@H]1CCCC(C)(C)C1	2003017544	IVXGYDWRELTXCZ-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)[C@H]1CCCC(C)(C)C1	2003024017	ZNTWRBLGLWDARV-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(F)F)C[C@H]1CCCCCCCC1=O	2003074795	NBUPTVQHUFQYFQ-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CCC2(CC2)C1)C(C)(C)C	2003277711	MZUFNYIDWQLESL-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CC[C@H]1C=CCCCC1)c1cccs1	2003679143	HIWYIFPHYPCWBG-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
CCC1(CC)CCC(N)(C2CCCCC2)CC1	2004342400	RXHOOBQYQFFLRD-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C[C@@H](O)C=C1CCCCC1)C(C)(C)C	2007920744	LQHSPHHVWGHLDZ-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
C/C=C/C[C@@]1(CNC(C)(C)C)CCCC[C@@H]1C	2008071275	GRPNGGQMVBKEHF-IXWNZZHASA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](CCCC2CCC2)[C@H](O)CC1	2009420241	NWPMXFVOCVBUEW-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@]1(O)CCC[C@H](C(C)C)CC1	2009589291	ANUWXEQVIFHGBM-SWJNODNISA-N	238.415	4.700	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1CC(=O)CC2(CCC2)C1	2012082273	BRBXKWZPGVQJNF-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(CN(C)[C@H](C)CC(C)(C)C)C(C)C	2015335531	TVKWEHHSJLLMQJ-CQSZACIVSA-N	241.463	4.671	0	10	BJAE	
CCC1(CCC(=O)c2ccccc2C)CCC1	2015588578	HEFKFXGVMZSTBC-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@H](C)C[C@H]2C)CCC1	2015641433	FELJVYMCCXSOMZ-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccc(F)c(C)c1	2016146594	YAQRUBWYRBWOQM-ZDUSSCGKSA-N	235.346	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(O)CCC=C(C)C)C1	2016149603	LBPSHAHTUSDIAP-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CC(C)C)C1(C(C)(C)C)CCC1	2017130345	BBIOFIVPJKUDCA-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@]1(CC2(C(C)C)CCC2)CCCCCN1	2017140933	LPFLFABXCYVXBW-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@](C)(NCC2CCCCC2)C1	2017623416	PXMMRFGRTPUMTQ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC(C)(C)CC)CC1	2017663446	SWDCWCCXNNIXBJ-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
CCNC[C@](C)(CC)CC1CCC(CC)CC1	2017722311	FHBLTDFLSUJSRD-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(C[C@@H](N)CC(C)(C)C)CC1	2017728313	KDEYCJJPPPLRDQ-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H](CC)C(C)(F)F	2018137613	XNLRDPUQQBILOU-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCCCCN(C)[C@H]1CCCC2(CCC2)C1	2019291240	OIEVYDZGLWHWIT-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CC[C@H]1CCCCCN1CCCCCC(C)C	2019342364	LZELVQYFZWHFJM-INIZCTEOSA-N	239.447	4.857	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@@H]1C=CCCCC1	2019506056	RVUWVOFDHUDVEN-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
Cc1cc(CNc2cccc(C)c2C)sc1C	2019925389	ZOFDAQWZINEOBR-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CC=C(CC)[C@@H](NC)C1CCC(CCC)CC1	2020967688	SSRQEXCYEQZGHE-AVVWSFFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CCC(=O)CC1CCCC1	2022555869	BBJJXGLVBHIUQQ-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)C1CCC(C)(C)CC1	2022560513	PAJXOSHTKHCLJC-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)NCC[C@@H](C)C[C@H]1CCCC(C)(C)C1	2024095250	QBXVQOLIIZBUCP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C(C)(C)C2CC2)C1	2024100816	FZIXFIKVMJKYTP-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(C[C@@H](O)C(C)(C)C)CC(C)(C)C1	2024120555	XCOWBDOFQZTLJS-CYBMUJFWSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(C[C@H](C)CC(C)(C)C)C1	2025621882	OFPJYMUAZZDPDR-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1cc(C)oc1C	2026075575	XKRVPCANMKDZHH-ABAIWWIYSA-N	237.387	4.503	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@@H]1CC2CCC1CC2	2027815640	OTDNVEOHMQYVQO-PFSRBDOWSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)c1cccc(C)c1	2027833802	WIMGTLWWMPKBOW-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C12CCC(CC1)CC2	2027840340	PVBCKZRDBQVNAC-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)c1ccccc1C1CCC1	2028548944	IIZXKTUWXFEQSP-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCN[C@@H](c1cccc(C2CC2)c1)[C@H](C)C(C)C	2028551103	CBCGXDOYUCAJDP-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CCCCCC[C@H](C=Cc1ccccc1)NCC	2028584131	REPDTHZYPWGTKU-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
CCC(CC)[C@@H](NC)c1ccccc1CC(C)C	2028915577	QHZDPXZWTZTYQV-QGZVFWFLSA-N	247.426	4.582	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1ccccc1C1CCC1	2029069820	NQQIMCVPNGKBRY-STQMWFEESA-N	244.378	4.819	0	10	BJAE	
CC=C[C@H](NCCC)c1ccccc1C1CCC1	2029073145	BEDANJJZSKBXDS-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@@H]2CCCC23CC3)C1	2031817498	AUIFFXAXUCVLLB-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@H]2CCC[C@H]2C1	2033066506	ZWPLBFHOCWMTPA-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)[C@H]1CCC(C)(C)C1	2033388165	PQMFCMBKTIOXFP-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CCCC1)C1CCC(C(C)C)CC1	2033809858	CAZFSJZHNQZMJR-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NC1CC(C2CCCCC2)C1	2033830801	RCHKPEVGPUYRQZ-LHUBUQBQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)C1(C)CCCCC1	2035592518	NSQLBRBSLLTGBR-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@H]2C=CCCCC2)C1	2037272905	IHIKHMUJJVMKCA-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)CC1CC2(CCC2)C1	2038082401	DXEMJLHSJXJRAL-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@@H]1CCC[C@H](C)CC1	2039363791	RZESBBXUGTXNFL-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCc1cccc(C(=O)[C@]2(C)CC=CCC2)c1	2042099629	WPVDELTWPVTZDC-QGZVFWFLSA-N	242.362	4.568	0	10	BJAE	
CN[C@H](c1ccccc1C)C1(C)CCCCCC1	2045721128	JHXCYVZRLPWESQ-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCC(CC)(CNC1CC1)CC1CC2(CCC2)C1	2045982776	WQPDTMGBZVCACJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(N)(C[C@@H]2CC23CCCCC3)C1	2047006259	ZIIQXUUONGJYLP-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@@]1(N)CCCCC12CCCCC2	2047559374	GJSORGKBOWMSMQ-QGZVFWFLSA-N	247.426	4.731	0	10	BJAE	
CC1(C(=O)CC2[C@H]3CCCCC[C@H]23)CCCCC1	2048470141	JKNXYFJMSBWFRQ-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@@H]2CCC3(CCC3)C2)C1	2049533109	OTBMTLKCLGUSEA-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCCC1CC(C(=O)CC2CCC3(CC2)CC3)C1	2049934978	CPFPJQVGDFQDDT-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(=O)CCC2CCC=CCC2)cc1	2050461291	SYDAYKAEMRTDCR-UHFFFAOYSA-N	242.362	4.704	0	10	BJAE	
CC(C)NC[C@@]1(C2CCCC2)CCCCC12CC2	2053357436	NNHBVEWEDGFAML-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@@H]1CCCCC12CC2	2053410871	HEANOQCICOAEHH-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)[C@H]1CCCCC12CC2	2053414064	WUFWMNHUPNAZLR-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
FCc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)cc1	2055666966	GUKJISOHGHEIFM-VNQPRFMTSA-N	247.357	4.537	0	10	BJAE	
CC1=C[C@@H](N[C@@H]2CCCC3(CCCCC3)C2)CC1	2055844702	IVIYVMGFVLWWCV-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CN[C@@H](C1=CCCCC1)C1(C)CCC(C)(C)CC1	2056555998	CSKHXGNPLFXHPU-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)C1(C)CCC(C)CC1	2056559001	NLOYFMKJMHANMZ-WIHSUSGWSA-N	249.442	4.537	0	10	BJAE	
O[C@]1(C=C2CCCCC2)CC[C@H]2CCCC[C@@H]2C1	2056858868	VKPLANDFDNSNBY-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@H](C)C1CCC1	2056884035	ROQYAHLKHCWMFA-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC(C)CNC[C@@]1(CCC2(C)CC2)CC=CCC1	2059171281	GGUWCWVCLOAYJF-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H]1NCC[C@@]12CCC1(CCCCC1)C2	2059470288	PLLSTYMAVKPGSM-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C1=CC[C@H](C)CC1	2060911759	ZRYDHWWAESESNV-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@@](N)(C2=CC[C@@H](C(C)(C)C)CC2)C1	2061113845	SEROMJDXFXLXDG-DYVFJYSZSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC(C(=O)CC[C@@]23CCC[C@H]2C3)CC1	2061604851	CEKHWXWXFLHPCK-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
CC=CCCCN[C@@H](C)c1cc(C)c(C)cc1C	2062372342	QMGLAHSGJLEFNP-INIZCTEOSA-N	245.410	4.619	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)CC(C)(C)CC2(CC2)C1	2062648188	YQDNICXWIMYMOT-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063512731	ZPTJOWQSPBOQIN-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CC[C@]3(C)C[C@H]23)CC1	2065662614	BZFZERPCQXASRV-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2066032983	ANLYSBBIUAPOFE-QAETUUGQSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](CC2CCC3(CC2)CC3)N1	2066375962	PQIVDZRSSOXEMW-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@](C)(N)C2(C)CCCC2)CC1	2067507028	YDOIGDAEFMHJLP-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)C[C@@H]1CC12CCCCC2	2068270804	COULSKOTKPCQNU-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)C23CCC(CC2)CC3)CCC1	2069268913	XOCYYCQXYSIFMM-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCCC1(CC2(CNC3CC3)CC(C)C2)CCC1	2069344049	GKWGGQYMYQNZBN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C1CCCCC1)n1nccc1C1CCCC1	2070046993	KOZRASZVORXNAA-ZDUSSCGKSA-N	246.398	4.682	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H]1CC12CCCCC2	2070303037	FIRGJWLAJIVRMX-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)c1cccc(C)c1	2070396754	CSOYVDBMOPMMLE-HZPDHXFCSA-N	245.410	4.781	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1(C2CC2)CCCC1	2070408700	QGGKBAKYKCUMQP-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1(C(C)(C)C)CCC1)c1ccoc1	2071940970	OHQRDMJWMOWENV-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)C2(C3CCC3)CC2)CCC1	2071950905	RFYUXVJJNYAQIR-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@]2(CNC)C=CCCC2)CC1	2072798938	ODONWXGMGLAAON-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](C)CC1)c1ccccc1	2072799861	XXBKICFGZJZIEC-ZOBUZTSGSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H]2CC[C@H](C)CC2)cc1C	2072805696	FAIRZZMDZFGZEQ-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
CCC1CCC(C[C@@H]2CCNC3(CCC3)C2)CC1	2072818824	AGQDEXLBRQNXPI-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2CC=CCC2)CC1	2072874728	FRKCHOLONWVSFJ-UYSNPLJNSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CC[C@](C)(N[C@@H]2CCC23CCCCC3)C1	2073065221	CSWFIUPAXADSPY-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCCC2(CCC2)CC1	2074900665	SBYBKQOERTWPID-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CCC[C@H]3CC[C@@H]32)c1	2077265386	RGMCGAHPAIJHCQ-YLQAJVPDSA-N	241.378	4.555	0	10	BJAE	
CCCC1(CN[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079526381	FFTKVQKRZPYUNS-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1C[C@H]1C[C@H]1C1CCCCCC1	2079662352	UWWPFEKGBFWXFR-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1CCC1)[C@@H]1C[C@H]1C1CCCCCC1	2079817272	CSSAXJYDNZZPSM-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCC1CC1)[C@@H]1C[C@H]1C1CCCCCC1	2079820701	RRSGMFRUOMWMHR-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)c1cccc(C2CC2)c1	2079842248	NICRCFNKKUKHJB-CZUORRHYSA-N	242.362	4.573	0	10	BJAE	
O=C(C[C@H]1C[C@H]1C1CCCCCC1)C1CCCC1	2079842628	OZEYLKTZGRUJBK-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
CCc1ccccc1C(=O)C[C@@H]1C[C@@H]1C(C)(C)C	2079851280	KHQIHJNDFDQXQW-ZFWWWQNUSA-N	244.378	4.504	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](NC)c1cc(C)cc(C)c1C	2082929294	CMIWZKRCWBTZJO-MJEQTWJJSA-N	247.426	4.555	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H]1CCCNC12CCCCC2	2083815389	FBXNFIFCQUKESQ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)CC1CC(CC)C1	2084995990	UNZSKLPYNAZLIC-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCc1cc(OC)c2occ(C3CCCC3)c2c1	2086723286	JALXPPIPEFEAMI-UHFFFAOYSA-N	244.334	4.661	0	10	BJAE	
CCCCC[C@H](O)c1cc(C)c(Cl)c(C)c1	2210168250	TWLOVORBPINKAS-ZDUSSCGKSA-N	240.774	4.571	0	10	BJAE	
Cc1ccn([C@@H](C)[C@@H]2CCCC(C)(C)C2)c1	2211149704	XGIDXMISIBGIHL-UONOGXRCSA-N	219.372	4.574	0	10	BJAE	
CC(C)[C@](N)(CCCCCCC1CC1)C1CC1	2213571093	DDIONDHVHUCYAF-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)CCC(C)C	2214581344	KXKLBJQMGZCHKU-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC(C)(C[C@](C)(O)CC2CCCC2)C1	2215377534	KZWFNVFPFHJLAM-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)c2ccccc2Cl)CC1	2215824059	PGCSBTMSDPVVQA-OAHLLOKOSA-N	248.753	4.659	0	10	BJAE	
O=C(CCCCCCC1CC1)C[C@@H]1CC[C@H]2C[C@H]12	2218733098	UBGFHGUCJGIUBH-YQQAZPJKSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CC=Cc1ccccc1	2219042800	AXSWJTYXNFXXTD-WBVHZDCISA-N	246.394	4.667	0	10	BJAE	
Cc1ccc(F)cc1CCC=Cc1ccccc1	2219078100	JULVSUQZLOVLTH-UHFFFAOYSA-N	240.321	4.780	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](O)c1ccc(C(C)C)cc1	2220851406	PBQXZYAWWGQDPF-XYPHTWIQSA-N	246.394	4.670	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1ccc(C2CCC2)cc1	2220932851	OKJWPWKCZSZEGX-BBRMVZONSA-N	243.394	4.802	0	10	BJAE	
CCN[C@H](CC1(C)CC(C)(C)C1)[C@]1(C)C=CCC1	2221028373	PHVLULROLMQCFE-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]1CCCC[C@H]1CC1(C)CC2(CCC2)C1	2221042684	ZDNGKPQQYMTGSN-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCCC1CC1)[C@]1(C)CC=C(C)CC1	2221631144	MAJBCDUMKRXEQF-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](CNC2CCC2)([C@H](C)C(C)C)CC1	2223605374	YBFCEHIOMSLGTR-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC(=O)CC[C@@H]1CCCCC12CC2	2246607103	PTOJTJVJMGENBR-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCNCC[C@H](C)CC[C@@H]1CCC[C@@H](C)C1	2246687561	PEZPLIWIVRWASW-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)CN[C@@H]1CC(C)(C)CC[C@H]1C	2250382443	DSKQZYKRYRASFO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC[C@H](C)CCCC(C)C)C(C)C	2250468380	CODKREGCGLCJMC-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCC1(N(C)CC[C@H](C)CCCC(C)C)CC1	2250476259	NWALMZDZFMHOIK-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CN[C@@H](CC[C@@H](C)CCCC(C)C)C(C)(C)F	2250480069	BKURVDZWPVCALJ-KBPBESRZSA-N	245.426	4.565	0	10	BJAE	
CN[C@@H](CCC1CCC1)C[C@@H]1CCCCC12CC2	2253795812	UKKRMJNBAQINQU-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN(CC1CC2(CCCC2)C1)C1CCCCC1	2254121559	SYPFAFQQZSHOKZ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)C1CCC([C@H](N)CC2=CCCCC2)CC1	2255091086	GUTWWSIKOJABFO-OFLPRAFFSA-N	249.442	4.667	0	10	BJAE	
C1=C(CC[C@H]2CCOc3ccccc32)CCCC1	2255115356	BNWSKMPODCEGOZ-HNNXBMFYSA-N	242.362	4.833	0	10	BJAE	
CN[C@H]1CCCCCCC[C@H]1CC1=CCCCC1	2255138649	YMHXNRJJJHQLEZ-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H]3CCCC[C@@H]32)cc(C)c1C	2258233445	NSHQWXOQGPRQRS-HYVNUMGLSA-N	243.394	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)c1ccccc1	2259620070	AKVOECNTWHYNBS-DOTOQJQBSA-N	247.426	4.929	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](N[C@H]2CCC23CCC3)C1	2261399996	FZVAEARQRWZPFV-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H](C)CC1CC1	2298896703	RPPYEDFRURJSIP-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
C[C@@H](CC1CCC1)Oc1cccc2sccc12	2298910300	GBWTZFHBBKJZCD-NSHDSACASA-N	246.375	4.859	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)CC=C(C)CC)CC1	2300877861	VJWDAWQDRNAZPZ-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CCC(F)(F)C(=O)CC=C(C)CCCC(C)C	2300877951	WHWSCBJKFMEJHO-UHFFFAOYSA-N	246.341	4.764	0	10	BJAE	
CC(=CC[C@]1(O)CCC[C@H]1C)CCCC(C)C	2300914231	OWFMPIUGHRNBHO-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H]1CCC[C@H](CC2CCCCCC2)C1	2301142106	GMXSZLZESVZHCY-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)NC1CCCCCCCC1	2301689215	QRISKKMPKJQQAE-GJZGRUSLSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1C(C)(C)C[C@@]1(O)CCCCCCC1CC1	2302116687	VWOQKABKPPECEW-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@H]1C=CCCCC1	2302613055	MDAQPBWQIBPORZ-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC[C@@H]1CCC(C)=C(C)C1	2303458720	JZSLSHSRADHXIZ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303471430	LWUFADKSDLSMQG-XQLPTFJDSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C)CCNC[C@@H]1CCC(C)=C(C)C1	2303592941	QEUFTYXWHICRHM-CZUORRHYSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H](CC1CC1)C1CC1	2303787796	XANHYRBEVKSVMT-AWEZNQCLSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CCSc2ccc(N)cc2)C1	2304431196	IDZWRLZTBWSLHH-LBPRGKRZSA-N	249.423	4.577	0	10	BJAE	
C[C@H]([C@H](N)CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304432950	ZMKUTPLACUXJEJ-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2308397345	OIDXJPNJUQLBGF-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2308397844	YHZXIZDMZZKJFQ-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1C[C@H]1C1CC1)C[C@H]1CCC=CCCC1	2308937451	SIKHDHXSYAGEOF-LXZKKBNFSA-N	246.394	4.518	0	10	BJAE	
N[C@@H](CCC[C@@H]1C[C@H]1C1CC1)CC1CCCCC1	2311256593	KKKDCKNVNVNLSK-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](O)(CC[C@@H]1C[C@@H]1CC)c1ccccc1	2312455935	MQELRUBKCNAATI-ZMSDIMECSA-N	246.394	4.501	0	10	BJAE	
C[C@@]12CC[C@@](N)(CCCCCCCC3CC3)[C@@H]1C2	2312600917	LXEKTZKFCZBEGI-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)C[C@@]12CCC[C@@H]1CC2	2313348964	PSKSIPWVTHZZCB-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C(CC1CC1)CC1CC1	2313608325	KTJJFMSEYGAGAE-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCC(=O)c1ccc([C@H]2C[C@H]2C)o1	2316269078	PZENPJVNCPYAKI-YPMHNXCESA-N	248.366	4.802	0	10	BJAE	
CC(=CCNC1(C2(C)CC2)CC1)CCCC(C)C	2316489046	JSMHXRKJTXDBNK-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@H]1CC2	2316870204	OSKBRRQYKJDRQO-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1ccccc1C1(C)CC1	2317830594	INPPXFCFBVGSTG-UONOGXRCSA-N	245.410	4.831	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CCC[C@@H](C)C1	2317915111	JNUMAPLPIHELGJ-OCCSQVGLSA-N	249.373	4.940	0	10	BJAE	
N[C@H](CCCCC1CC1)C(CC1CC1)CC1CC1	2318872359	BFGMTUYPIKNODD-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320218324	WMSLLOLDKXVAKR-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H](C)C2(C)CCCC2)CC1	2320230424	HFOFHBXOMOIIHA-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](NC2CCC(C(C)C)CC2)CC1	2320237221	HVQVLYJDOPFLGE-JCYILVPMSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(CN)CCCC2(C)C)CC1	2320331949	UHWJAXAGEBQYHR-NVXWUHKLSA-N	249.442	4.668	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(N)CCC23CCCC3)CC1	2320336015	DXZQJOGPKWKNPL-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H](CC1CC1)C[C@@H]1CCC(C)=C(C)C1	2320388731	SXTXXPYLQQWHHQ-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)CC2CCC2)c1F	2327780733	DRCCAUNCGWZQSZ-GFCCVEGCSA-N	249.373	4.940	0	10	BJAE	
CCC[C@H](CC)CC(=O)CCCc1ccccc1	2328269879	UOLISBMHSTUHJX-HNNXBMFYSA-N	246.394	4.795	0	10	BJAE	
Cc1ccc2c(c1)Sc1cc(C)ccc1S2	1847728	XTLNLAUJNYMFIN-UHFFFAOYSA-N	244.384	4.919	0	10	BJAE	
CCCN[C@@H](C)c1sc2ccc(C)cc2c1C	40996328	CBQWLQYPEKMQJO-LBPRGKRZSA-N	247.407	4.579	0	10	BJAE	
Cc1ccc2oc(C(=O)C3CCCCC3)cc2c1	71406497	KPYXWUTYFIZHAC-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CSc1ccc(N[C@H]2CCC[C@H](C)CC2)cc1	86878434	DUOGXCCKEHMTSQ-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccc3c(c2)CCC3)CC1	86878826	BZXWWNRYJSNISI-BBRMVZONSA-N	243.394	4.556	0	10	BJAE	
CC[C@@H](N[C@@H](C)CCC(C)C)C1CCCCC1	103985599	HFWAVTOWIGSGFK-GOEBONIOSA-N	239.447	4.760	0	10	BJAE	
CCCc1cc(Cl)c2cccc(CCC)c2n1	104146819	RJXUMPDKBWJQQG-UHFFFAOYSA-N	247.769	4.793	0	10	BJAE	
C/C=C\CCc1cccc(Cl)c1Cl	107499550	HWTLLVLICGNAMQ-IHWYPQMZSA-N	215.123	4.502	0	10	BJAE	
Clc1ccc2cccc(Cl)c2c1Cl	111354916	YSFLKFZEQBZEPU-UHFFFAOYSA-N	231.509	4.800	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC1CCCCCC1	126804875	JVGNZAMJANJMSF-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
Clc1cccc2c1ccn2CC1CCCCC1	129757342	DRTGLHNFWMRRPX-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccccc1C(C)C	163742253	YALGQVFRCKQEOW-HIFRSBDPSA-N	231.383	4.801	0	10	BJAE	
CC[C@H](C)C[C@@H](O)c1ccc(C)c2ccccc12	167651384	IHMOGGVDXSTQSP-YVEFUNNKSA-N	242.362	4.618	0	10	BJAE	
CCCC(CCC)C(=O)[C@H]1CCC[C@H](C)C1	168498570	DXWDUGZGDFNANQ-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)CC(=O)c1ccccc1C1CCC1	168867422	OMXGCBOLKLSSID-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCC(CCC)c1nc2ccc(CC)cc2[nH]1	212031251	DEKJCDAQXJXQRB-UHFFFAOYSA-N	244.382	4.809	0	10	BJAE	
CN[C@H](CC1CCCCCC1)c1cccc(C)c1	229298287	CNOUNCFVDFUSSI-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(CC2CCCC2)C1	230787892	ZPQIPRKLQHAXGA-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H](C)c1ccccc1	232952283	VRICPBFVTDNRHT-WBVHZDCISA-N	247.426	4.739	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(Cl)cc1C	232962519	PDXSVPJXMWVACT-CQSZACIVSA-N	239.790	4.619	0	10	BJAE	
CCCC1(CNc2ccc3ccccc3c2)CC1	232965814	DDKQHNKLBKBNPB-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
N[C@H](C1=CCCCCCC1)C1CCCCCC1	236293408	MKKFIBZIMBPHKQ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)n1cc([C@H](C)C#N)c2cc(Cl)ccc21	260031766	NBMKSMKUWCVIAS-SNVBAGLBSA-N	246.741	4.503	0	10	BJAE	
CNC[C@@H]1CCCCC[C@H]1CCCC(C)(C)C	302263635	FRNBQNQEJGTOQA-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@H](C)CC(C)C)NC	302263753	CCBADULSVDTLBW-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)CC1CCCCCC1	305969247	PPXOGEUHFKLSBJ-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1ccc2ccccc2c1	306023088	OGUQTYDVUUPLRQ-GUYCJALGSA-N	241.378	4.666	0	10	BJAE	
Cc1cc(C(F)F)c(Cl)c2ccsc12	306602192	CTRRKJHLKBWBND-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CSc1cc(Cl)cc2sc(C)cc12	306875575	ATWUJLYHFRRUEY-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](NC)c1ccc(C)c(C)c1	308073471	LNGLWTAKJDLDPN-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2C=CCCCCC2)s1	310065925	DQKCGSWBHHKDKD-ZIAGYGMSSA-N	249.423	4.596	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C(C(C)C)C(C)C	310085659	AJEPYBYNTMDLAI-LSDHHAIUSA-N	242.447	4.882	0	10	BJAE	
Cc1cc(N[C@H](C)CCC(C)(C)C)ccc1F	310309330	TWWJMCSOLMUMNT-GFCCVEGCSA-N	237.362	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC2(C)CCCC2)CC1	310560803	VPJMLDYJQZTIGP-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(O)C[C@@H](C)C1CCCCC1	310561498	JXQSPZLTNDEFQS-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)c1ccc(F)cc1)C1CCCCC1	310920207	AEJJGLQBPVJBEB-LBPRGKRZSA-N	248.341	4.615	0	10	BJAE	
CCCCCCC1(CNCC)CCCCCC1	317003550	LPVRXIOHFJICGP-UHFFFAOYSA-N	239.447	4.907	0	10	BJAE	
CCC[C@@H](C)CC1(CNC)CCC(CC)CC1	317157236	JBLIOOQMWUJWNY-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)[C@@]1(CNC(C)(C)C)CCC[C@@H]1C	318028431	PJFBWYIDNRMKEG-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@@](CN)(CCCCCC(C)C)C1	383222966	FWUPPJBBSKYDCD-HOTGVXAUSA-N	239.447	4.748	0	10	BJAE	
Cc1cc(C)cc(C(=O)C(C)(C)C(C)(C)C)c1	383752978	FEFDHKMMZNEKIL-UHFFFAOYSA-N	232.367	4.558	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H](C)c1ccccc1)NC	385187696	PQQFMHXDOAZFNM-ZOBUZTSGSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](NC[C@H]1C[C@@H]1CC)c1ccccc1	387772540	CALNCCVGBGFXAX-UAGQMJEPSA-N	245.410	4.554	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1C[C@@H](C)Nc2ccccc21	393845535	DJCUYQVDBQCBPW-GZBFAFLISA-N	231.383	4.657	0	10	BJAE	
Cc1ccc([C@H]2C[C@H](C)c3ccccc3N2)cc1	393964864	MINOWBKPZJFXQO-SUMWQHHRSA-N	237.346	4.655	0	10	BJAE	
CCCC1(NCC2CCCCCC2)CCCC1	394437007	OMOOSWNBUXRIPN-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H]1CCCC[C@@H]1C	395029549	KESRJRNONQFWKE-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1ncc(CC2CCCCC2)s1	395128158	DJKYIEHLYPTABT-UHFFFAOYSA-N	237.412	4.563	0	10	BJAE	
CCc1ccc2c(C(F)F)c(C)sc2c1	396225485	QIVGZMGMNHCZBR-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CSc1cc2scc(F)c2cc1C(F)F	396261013	ZNYDKOKEDFOXLV-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1cc2scc(C(F)(F)F)c2cc1C	396303921	MSLSSUGZYVKAMF-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](CC)[C@H]1CC1(C)C	397716375	WGBZKERYPHYPBN-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CN[C@H](CCC(C)(C)C1CC1)CC1=CCCCC1	405967784	SNYHVIHRTJWPRN-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@@](CCCC2CC2)(CNC2CC2)C1	405984729	BSBKDUAGPVCPHO-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1	691761778	UHVCSGHAFIPPFC-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CC(NCC1CCCCCCC1)(C1CC1)C1CC1	691845866	FVIPDQWCRQFNRR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C1CC2(CCC2)C1	691957341	SIULSZGFRGPVHM-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCC2(CC2)C1)C1CCCC1	695717166	ONGIZKBBWYKZIY-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC[C@H]1C1CC1	696106241	AOQZKCRLVHJTTB-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@](N)(CCCC(C)(C)C)C1CCCC1	704957464	OOQQLWQTSJHULQ-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)[C@H](C)CC(C)C	708299547	ZCSLSOLQBGYTBW-RHSMWYFYSA-N	247.426	4.753	0	10	BJAE	
C[C@H]1C[C@H](NCC[C@@H]2CC=CCC2)CC(C)(C)C1	708807837	LPIMJESSJKDGEP-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
C[C@H](Cc1cccc2c1NCCC2)CC(C)(C)C	709160397	UIXJDVVHIFOWAV-CYBMUJFWSA-N	245.410	4.660	0	10	BJAE	
C[C@](N)(CCC1CCCCC1)[C@@]12CCCC[C@H]1C2	709271334	DAYBQAPOXSSQFR-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](c1cccc(C(C)(C)C)c1)[C@H](C)C(C)C	709478837	AUPVNGDNQAHZOY-CJNGLKHVSA-N	247.426	4.537	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCC(C)(C)CC1)C(C)(C)C	710752720	JONQGEVVGCUQQJ-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)C(C)(C)C)CC(C)C	710767388	PZNZXHAILFQJQB-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCc1ccc(N[C@@H]2C[C@H]3CCCC[C@@H]32)cc1	712454036	OMBCOAIQWRNCDJ-HYVNUMGLSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H]1CCCC1(C)C	713134250	PLWUPZRCWRBIIV-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1cc(C)co1)C1CCCCCCC1	716113106	GNIKNVLPHZFHHU-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CN[C@@H](C1CCCCCCC1)C1CC2(CCC2)C1	717542052	AGBMGKMABHTJAC-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CNC[C@@H](CCCC(C)=C(C)C)c1ccccc1	718491292	DRGHTRLFVPFIKD-QGZVFWFLSA-N	245.410	4.516	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1cccc(F)c1C	718531365	XJCBMGHXLVRVCB-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCCN[C@H](CCCC(C)(F)F)CCC(C)C	718572710	FUBFHRCBDTVJCF-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)CCC(C)=C(C)C	718637169	KHTPHSICTDSPOS-LSDHHAIUSA-N	226.404	4.556	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C(C)(CC)CC	721701809	LPDWRDINZIXVQQ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCN(CCC(C)(C)C)c1cc(C)cc(C)c1	1167705011	GCJWLMLHCNXYOU-UHFFFAOYSA-N	233.399	4.566	0	10	BJAE	
CCC1(C)CCN(C[C@H](C)CC(C)(C)C)CC1	1641649625	IOMWXBQZFALNSZ-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H](C)CN[C@@H]1CCCCC12CCCCC2	1875413535	BXUKQPRYRJRLAZ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCCc1csc(C(F)F)c1	1885365592	OLATXWQWOFURRR-NSCUHMNNSA-N	216.296	4.585	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@H](C)CC(C)C	1900580968	ROSFFDDVUNTCJY-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CC(=CCC(=O)CC1CC1)CCCC(C)C	1900876346	SSXQYZHSKKDGSS-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
Cc1sccc1OCCCCC[C@@H]1C[C@@H]1C	1904942822	ORIXHTJLNWGSAM-WCQYABFASA-N	238.396	4.652	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCn1ccc2cccc(Cl)c21	1908590633	YELVWOMETHJEHW-YPMHNXCESA-N	247.769	4.731	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](O)C1CCCCCCC1	1910705369	BRMPYXRTPLWZHK-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](CC(C)(C)CC)NCC	1910732650	BRALMJMTGYSENP-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1Cn1ccc2cc(Cl)ccc21	1910793628	XQIAJXOSIHGPKZ-YPMHNXCESA-N	247.769	4.731	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC1(N)CCCCCCCC1	1910816035	LOYSBUULOUYLET-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(OC)c(Cl)c1	1911824804	QGPNIDZZAOZSIS-LLVKDONJSA-N	238.758	4.808	0	10	BJAE	
CC(=CCl)C[C@@H]1CCCCCCCC[C@@H]1O	1913397877	KNTUWZPDKFVWET-KBPBESRZSA-N	244.806	4.631	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)c1cc(C)c(C)cc1C	1919969226	HRNMYMHQJLVTCD-SJKOYZFVSA-N	248.410	4.646	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H](C)C1CCCCC1	1924137586	BKJAKEATOVHIOK-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
C1=C[C@H](C[C@@H]2CCOC3(CCCC3)C2)CCCC1	1925842415	ASIFALWEAWYWQF-HOTGVXAUSA-N	248.410	4.862	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1csc(Cl)c1	1933586506	JQMAFGPHDFFYDZ-PWSUYJOCSA-N	246.803	4.507	0	10	BJAE	
CC[C@H](C(=O)C[C@@H](C)CC(C)(C)C)C(C)C	1936211107	NZRGRXURIWEKOP-OLZOCXBDSA-N	226.404	4.700	0	10	BJAE	
CC(C)C[C@H](C)c1csc(NC(C)(C)C)n1	1939035068	DQKJHBQWBLBLJP-JTQLQIEISA-N	240.416	4.503	0	10	BJAE	
CCCNC[C@H](C)[C@H](C)CC1(C)CCCCC1	1940411205	VBYFUICZTRJWKC-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCN[C@H]1CC[C@](C)(CC2(C)CCCCC2)C1	1940411432	WOFUOPNMTVEFOR-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC2CC(C)C2)CC1	1940687588	GYQDHWCPHCYEHV-GYTBAZASSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CCC[C@@H]1CC1(C)C	1940876107	JXUZAWPKTCFASP-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CC1(CCCC(=O)CC2CCCCCC2)CC1	1940878172	UWDANGIRLTYPCS-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
C[C@H](CCC1CCCCC1)c1cccc(N)c1	1940977299	SYCIWQXKHSCVBJ-CYBMUJFWSA-N	231.383	4.733	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1ccc2sccc2c1	1941248186	LSWAHMYHWSADIB-DZGCQCFKSA-N	248.391	4.617	0	10	BJAE	
CCCNCC1(C[C@@H](C)CCC)CC(C)(C)C1	1941976892	OXJKJHJXMHRBLR-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cc(F)ccc1C	1947455433	CGYMRFZMFZHXOE-GXTWGEPZSA-N	235.346	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H]1CCCCC12CCC2	1947879520	CEXAWEIETPQYAL-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CC(=O)O)CC1CCCCCCCCC1	1947880471	XRGGGOKJDAQATD-CYBMUJFWSA-N	240.387	4.628	0	10	BJAE	
CC[C@@H](C)CC1(CNC(C)C)CC(C)(CC)C1	1948413258	ODBMKQSGIWXRIW-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCC[C@@H]2CC2(C)C)CC1	1949055412	QXBHXGNNBMMNBF-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H]2CC[C@@H](C)C2)cc1	1949502426	VFKXLHSEVDNCFC-DVOMOZLQSA-N	232.367	4.768	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](O)CC1CCCC1	1949868553	HGMIAQJXKDQXQU-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CC(C)CC[C@H](C)C[C@H](O)CC1CCCCC1	1949912567	NXRHTLWLOZJIER-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCN(CCCCC2CC2)c2ccccc21	1963115986	BFLCHKGMNCMVTA-CQSZACIVSA-N	243.394	4.581	0	10	BJAE	
c1ccc(C2CCC2)c(NCC2CCCCC2)c1	1966031671	HVSWGGPBMXCVES-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
Cc1ccc(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c(F)c1	1968326556	JRXFAUOBMZKVEU-WDNDVIMCSA-N	249.373	4.618	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@@H]1CCCC2(CCC2)C1	1969018775	QIRQYLCPJFGOMO-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(-c2cccc(C(C)(C)C)c2)ccc1O	1969843255	WDXKSUCXTJTUQW-UHFFFAOYSA-N	240.346	4.665	0	10	BJAE	
CC[C@@H](NCC1(CC)CCCC1)c1occc1C	1971015040	OWHFRSFUOJPOKY-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CCC/C=C/CNCC(C)(C)CCCCC	1975486705	ZOSQVYUEDYWMEK-PKNBQFBNSA-N	225.420	4.539	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H](C)CC(C)(C)C	1976011192	SPQSPEDNQDLLPZ-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
Cc1cc(NCC2CC(C(C)(C)C)C2)cs1	1977053949	GZQQAJWALARMAO-UHFFFAOYSA-N	237.412	4.541	0	10	BJAE	
CCCCCC[C@@H](N)c1cc(C(F)F)cs1	1977078629	MDAASEPCOIFDMF-SNVBAGLBSA-N	247.354	4.656	0	10	BJAE	
CCCCCC[C@H]1CCCCCC[C@@H]1NC	1980340475	XIAMHUGKRISKPC-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)NCCC(C)(C)CC	1986949144	VISQXYOABMWTPW-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1CC[C@H](C)CC1	1989816498	LTDVASMILWJDDN-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@](O)(CC)[C@H](C)CCC(C)C	1990089335	FOQNJQCLGKGDCK-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CCCCC[C@@H](CC)[C@H](CC(C)C)NCC	1990093799	OROAXCUNZGTGQA-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)N(C)CCC(C)(C)CC	1990874091	XBHQBOYIUJHTFV-AWEZNQCLSA-N	227.436	4.713	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(Cl)c(C)c1	1993194534	ZANRMYSVKMNPAZ-SNVBAGLBSA-N	238.758	4.657	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1cscc1C	1995254822	WTFDREVCLJOJEJ-FZMZJTMJSA-N	240.412	4.696	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CC2(C)CCC2)CC1	1997116141	JGQGTABDLISOOD-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1CC(C(C)(C)C)C1	1998256807	ZWBJKXIBCZGFBM-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@@H]1CCC=CCCC1	1999996739	RIVOOHAYNBNIMH-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(O)([C@@H]2CCCC(C)(C)C2)CC1	2000025905	YPQMTNYJDYUATR-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCCC(F)F)C(CC)(CC)CC	2000375553	CZBYVHRDGWOFDB-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](C)CCNC1CC2(CCCCCC2)C1	2000671735	YXURFULXOATHQH-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](NC1CC2(CCCCCC2)C1)C(C)C	2000672827	NICSJEPSJOISDP-OAHLLOKOSA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H]1CCCC(C)(C)C1	2002972237	QNIDNGCQCCIASQ-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)[C@@H]1CCC[C@H](C)C1	2003014641	MAVKRPUNBVQKFF-CAOSSQGBSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)CCCF)CC1	2003067157	OBEIZIJQQVYPJV-HDJSIYSDSA-N	242.378	4.692	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCCCC[C@H]1NCC	2003097304	FMLHPRLTVQKNJW-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H]1CCCCCCC[C@H]1O	2003112328	SYLAVQDBSHLBBQ-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](N)C1(C)CCCCCCC1	2004921043	QROYDARCIZCWOG-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CC(F)(F)CCC(=O)C1(C)CCCCCCC1	2004937639	RQQCLOYQUXBCKK-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCC1(C[C@@]2(CN)CCCCC2(C)C)CCC1	2005589137	KQXZYRIZESWXND-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CSc1ccccc1NCC1CC(C(C)C)C1	2007808015	OQGCBBOIBNCEPD-UHFFFAOYSA-N	249.423	4.503	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(O)CC(CC)(CC)C1	2009300145	VEQYTBHRVBTEDL-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCC[C@H](CC)CC1	2009568281	AWVYVUWZRJRGQD-LSDHHAIUSA-N	236.399	4.908	0	10	BJAE	
CC=CCCC[C@]1(O)CCC[C@@H](CCC)CC1	2009591692	IZAICHUDSDSNEK-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@@]1(O)CCCC[C@@H]1C(C)(C)C	2009592873	LZAFXJYBEKGZAM-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CC=C(C2(O)CCCCCCC2)CC1	2010722742	WBXLTJBTLKYTSL-CQSZACIVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](N)(CC)CC1CC(=C2CCC2)C1	2011103062	KYDTZGJAIOHFNA-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(C)CC(=O)CC12CCC(CC1)CC2	2012805491	GJOVAEXERPLKJV-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CN(C)[C@@H](C)C1(C)CCCC1)C(C)(C)C	2014396433	UWVTWIMHHZETND-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(CCC(=O)CCC(C)(F)F)C(C)C	2015395496	ZZFBXJMQHHEETR-UHFFFAOYSA-N	248.357	4.699	0	10	BJAE	
CCCC1(C[C@@H]2CC[C@H](C)CC[C@@H]2O)CCC1	2015631524	GMGVHLWQCPFHJG-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC1(CCC)CCC1)C(C)C	2015649100	WTHBJXKIBONGBN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](N[C@@H](C)CCC=C(C)C)C1CCCC1	2016144887	MEXPLFUGWNBEJC-GOEBONIOSA-N	237.431	4.680	0	10	BJAE	
CCCC1CCC(C[C@H](N)CCC(C)C)CC1	2017726245	XTJCPXWNLVOPLI-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(C[C@@](C)(CN)CCC)CC1	2017726418	YYCBCDWQBXSSJJ-GPANFISMSA-N	239.447	4.748	0	10	BJAE	
CC[C@H]1CC[C@H](CCC[C@@H](N)C(C)(C)C)CC1	2017735216	UMYOJISOCGXYGP-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H](CC)CC(F)F	2018082662	XWQVVIRKTWOZQR-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2(CC)CC2)CC1	2018921549	AYWTYBBFHHLWJD-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@@]2(O)CC(C)(C)CC[C@@H]2C)CC1	2018965472	RDRDZXNCKSFLEZ-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@@H]2C[C@@H](C)Nc3ccccc32)CC1	2019002724	UTHAHXAMHAPPQD-OLZOCXBDSA-N	229.367	4.555	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](C)c1ccsc1	2023445987	FJZNRQXCTXDWOD-SNVBAGLBSA-N	249.354	4.623	0	10	BJAE	
CCCC1(C[C@H](C)[C@H]2CC[C@H](N)CC2)CCC1	2023547921	UXHITMHRTKXHMI-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCCCC(=O)CC1CC(C)(C)CC(C)(C)C1	2024091002	DLXIBOUYIYBFOL-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CN[C@H](CCC(C)C)C[C@H]1CCCC(C)(C)C1	2024094319	JGMXHFLKKILOTK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@](C)(O)CCC2CC2)C1	2024121543	DXKUUHBZVYRRTN-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC(C)(C)CCC1=O	2024126826	YOOUBCUILHTHKS-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)Cc1coc2c(C)c(C)cc(C)c12	2026534378	WSKLXZFBIGFDLX-JTQLQIEISA-N	230.351	4.947	0	10	BJAE	
CCC(C)(CC)C(=O)Cc1ccccc1C(C)C	2027500861	YFIIQCRSWFOOBO-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
CC[C@H](NCCC[C@@H]1CC1(C)C)c1ccccc1	2027823236	VPKOXZPRSXDROC-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc2ccn(CCC[C@@H]3CC3(C)C)c2c1	2027832628	MMQHUCLOZVHIMQ-OAHLLOKOSA-N	241.378	4.776	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)CCC1CCCCC1	2027887148	SXJTVCDQPJBNHH-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1CC(=O)C(C)(CC)CC	2027912665	MDHMGBYEKLDEBZ-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1cccc(C2CCC2)c1	2028267199	YLPBZZGSJJJEHR-SJORKVTESA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNCC2CCC=CCC2)C1	2028891460	IECRZKWLPWBBTG-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CC2CCC=CCC2)C1	2028896651	FIQLDJMSZQLQHM-OIISXLGYSA-N	249.442	4.667	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1ccc(C2CC2)cc1	2029074737	MHMXFRCZAUUCFC-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CC1(C)C[C@@H](NCC2CCCCC2)CC2(CC2)C1	2030287526	JAILBVAYYVKJOP-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCC[C@H]1c1ccc(C2CCCC2)cc1	2031744997	JSSOVFQQOOJUTK-INIZCTEOSA-N	242.362	4.571	0	10	BJAE	
CCN[C@H](C1CCCC1)[C@]12CCCC[C@H]1CCC2	2031762368	XQKNAYHCQUSHHC-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C1[C@H]2CCCC[C@H]12	2033525008	RXHSLOIHGTXBAG-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](C[C@H]2C=CCCC2)C1	2035551711	JEBJERJNFROJNT-SOUVJXGZSA-N	248.410	4.764	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C[C@H]1C=CCCC1	2035574918	BZQDNKSUERBLAC-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCC2)CCC[C@H](CC)C1	2035586397	ACJVVHZKDJUHDF-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCCC2)CC[C@H](CC)C1	2035599979	KGHRQLBZBJYTRO-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1NC1CCCCCCCCC1	2035887067	STOKYYLPINWJTK-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@H]1CC12CCCC2	2036101884	VTBBGLCVJXBLKM-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H]1c2ccccc2NC[C@@H]1C)C1CCC1	2037226466	NKUOLXJJKKKEHA-DVOMOZLQSA-N	243.394	4.658	0	10	BJAE	
CC(C)NC[C@]1([C@H]2CCC(C)(C)C2)C=CCCC1	2037694090	KGOURRLRCVNPOA-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCC(C)(C)C1)c1ccccc1	2037697673	IUHYEVXSYKGRDK-ZBFHGGJFSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)CC1CC2(CCC2)C1	2038084430	ZICQOQYPSDDZTO-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@H]1CCC2(CC2)C1	2038572205	OUIXYHRKGCMAFS-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CCC(=O)CC12CCC(CC1)C2)C1CC1	2039414496	BVMQEIOLTFLLQR-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNC(C)(C)C1CCCC1	2039453334	QVAHZNDHGSSHSN-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](C2(CNC(C)(C)C)CC=CC2)C1	2042099753	XZKJBDJPKQRTFA-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)CNC1C[C@H]2CC=CC[C@@H]2C1	2042343961	BQKDOJRMGCMMEQ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC2(CCC2)C1	2043617169	YTMBDPWNXDKOPG-OAHLLOKOSA-N	243.394	4.692	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)[C@H]1CCCC(C)(C)C1	2045392769	XMRDETJDLWDZCD-GOEBONIOSA-N	245.410	4.520	0	10	BJAE	
CCc1ccccc1[C@H](NC)C(CC)(CC)CC	2045727382	KFRIPEUDTYIYKB-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C[C@H]1CC=CCC1	2045818458	NINFBNBAZCCKJB-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@H]1CC12CCCC2	2047015311	HWVOQZDLAXKMDX-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCCC1CC([C@H](N)C[C@H]2CCCC3(CC3)C2)C1	2049862887	XCLXXJGSBHUBJJ-GYTBAZASSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@@H](C)C1)[C@@]1(C)C=CCCC1	2050008634	VJKOVOULUSONSQ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(N)C2CCCC1CCC2	2050012527	RVZWONDKFQTDDP-VATXVYSQSA-N	249.442	4.501	0	10	BJAE	
CC1(CC[C@H](N)c2ccccc2F)CCCCC1	2050495693	WTVRHNUWXALTPI-HNNXBMFYSA-N	249.373	4.576	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCC[C@H]2CC[C@H]21	2052287235	WBCQNVLZSIYLPD-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@H]2CCCCC23CCC3)C1	2053356588	FIKJWRAOVKIZFO-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC=C[C@@](N)(C2CCC(C(C)(C)C)CC2)C1	2054983196	LOHXGDUGKAAHGH-GIOUXUJVSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@@]1(N)CCCCC12CCCCC2	2055298607	GCTDXCABHPEBCL-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1=C[C@@H](N[C@@H]2CCCCC23CCCC3)CCC1	2055549671	NHAKPLBIHJQMSP-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CCC2=CCCCC2)[C@@H]1C	2055624883	NIBVQQRGWKGMNZ-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CC1CC(C2CC2)C1)C1CCCCCCC1	2056645380	LDLVVPLSVLJTTK-QWFMPGPPSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@H]1CCC[C@@H]1C(C)C	2056884239	SRIXNMLWQVSUIT-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C2CC(C3CCC3)C2)CC1	2057496513	YERBBHQTLKFTJX-YUCHNRCRSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1C[C@H]2CCCCCC[C@H]21	2059268653	ZYQMXAUABGCOKO-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@]1(CC2[C@H]3CCCCC[C@H]23)CCCN1	2059467002	NDUOUPBSPPOGOI-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](NC)C2=CCC(C)(C)CC2)C1	2061087572	GUGCEQPIZJOMES-BMFZPTHFSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(N)(C2=CC[C@H](C(C)(C)C)CC2)C1	2061122503	PKUHKZZDEZEZGW-UUCFBXCCSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NCC[C@]12CCC[C@@H]1C2	2061575124	OURYVMNYXARCCF-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H](N)CC1CC(=C2CC2)C1)CC(C)(C)C	2061729923	BWLJZGKQTKYYAJ-BLLLJJGKSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC([C@H]2C[C@H](N)CC3(CCC3)C2)CC1	2063637244	DJVKDKDJPPHMHR-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C1CC2(CC2)C1)C1CCCC1	2064597860	XHVZXHVLPZHCHB-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)CC12CCC(CC1)CC2	2065302593	JHFGLJXNNKWIRA-SMOLVSOFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(CC12CCC(CC1)C2)[C@@H]1CC1(C)C	2065339540	MSFLTSYSECTUDU-CPBWPMLKSA-N	249.442	4.501	0	10	BJAE	
CC(=CCCNC(C)C)CC12CCC(CC1)CC2	2065340262	UKWPHLHHZPHXIF-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C(=O)CC2C[C@H](C)C[C@@H](C)C2)oc1C	2068917492	RLJCTHFJJMFLMC-GHMZBOCLSA-N	248.366	4.542	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1CC12CCCCC2	2070413861	OQFAZXHRXUQWJC-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H]1CC[C@H]2C[C@H]21	2071063797	VXBWLDMBNQLWPE-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](c2nc3ccccc3[nH]2)CC1	2072703208	WVLJKXOUCWSCHU-JOCQHMNTSA-N	242.366	4.637	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H]2C=CCCCC2)CC1	2072797467	ZLDUKCYCHDHWOV-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(N)C[C@H]3CC[C@@H]3C2)CC1	2072805650	DSTKCBGIIKFGTG-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(N)CCC3(CC3)CC2)CC1	2072806995	QXZLVPJHMCTXPF-SHTZXODSSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC(C)(C)CN1[C@@H]1CCC12CCCCC2	2075013751	XBZPLBJHPUGMOQ-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CCNCC1([C@@H]2C=CCCCC2)CCCCCC1	2075366887	ZJWWFIPBNAYGPG-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CN([C@@H]1C=CCCCC1)[C@@H]1CCCC2(CCC2)C1	2075403506	MFEJELPWYFRZFN-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
CN[C@@H]1[C@@H](CCC2=CCCCC2)CCCC1(C)C	2076394508	BRGBHUQHLHXFHC-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@@H]2C2CCCC2)CC1	2079852182	PCLSZTUSCHVHAB-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@@H]2C2CCCC2)C1	2079864331	MGGFKYYIEPRVEV-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C)NCc1cc(C)cc(C)c1C	2082904354	XICIDECAVSCPBV-HNNXBMFYSA-N	247.426	4.526	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)C=C2CCCCC2)c1	2082923090	SFNJNUNLZLKXIO-KRWDZBQOSA-N	243.394	4.502	0	10	BJAE	
CCCc1ccc(-c2cc(C)c(N)cc2C)cc1	2083394913	HUHFEJMFIICACD-UHFFFAOYSA-N	239.362	4.505	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC1C2(CCC2)C12CCC2	2083533931	RWRBOMGDXSUMQL-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)Cc2cccc(C[C@H]3C=CCCC3)c2C1	2084036673	FTAJJQVFQAOPHB-AWEZNQCLSA-N	240.390	4.710	0	10	BJAE	
F[C@H]1CCCC[C@@H]1CC=Cc1ccccc1	2210661934	HLHBNKHEWQIERQ-CABCVRRESA-N	218.315	4.618	0	10	BJAE	
Cc1csc(C(=O)C2(CC3CC3)CCC2)c1C	2213632133	QYTRUIVGDNMWJC-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC[C@H]1C[C@H]1CC	2215236385	JIZIMIPBUKKOCZ-FZKCQIBNSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CC1(C)CC(C)(C)C1	2215396396	SAWYLJIFAOLDSY-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
N[C@@H](CC1CCCC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218353939	MWNPNZVTGYACIV-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCNC1C[C@H]2CCC[C@@H]2C1	2218729248	YGVSEWJBURFDNB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC=Cc1ccccc1	2219067331	SYAQCQWRKRMWLE-IAGOWNOFSA-N	246.394	4.667	0	10	BJAE	
CCCC1([C@H](CC2(C)CC3(CCC3)C2)NC)CC1	2221024263	ZRYVMMWZSVXKQN-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(CNCCC(C)(C)C2CC2)CC1	2221640794	PBRYUSIBQFHLKX-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC1=CC[C@](C)(CNCC2(C)CC(C)(C)C2)CC1	2221645406	XUDNHOXXJMWHPL-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1=O	2222973863	YNUMMZKFYPWDGW-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@]1(CNC2CCC2)CC=CC[C@H]1C	2223538877	GIAPNEQZXJIFLG-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)NCC1([C@@H]2CCCC[C@H]2C)CC=CC1	2223541957	NFFNKEOWZMYLOX-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@]1(CCC1CCCC1)CNC1CCC1	2223553678	CQKVZASLFRLAQH-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
c1ccc(OCc2ccc(C3CCC3)cc2)cc1	2223688500	PBQHICCMCSNKIU-UHFFFAOYSA-N	238.330	4.533	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1cccc2ccoc12	2224175514	CBZCLGDGDKYDRD-WFASDCNBSA-N	246.350	4.683	0	10	BJAE	
CCC[C@@H](C=C(CC)CNC(C)(C)C)CC	2244774616	XGKJTNVQMRQITH-ZDUSSCGKSA-N	225.420	4.537	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@](C)(N)CC1CCCCC1	2247444692	NJRBCWCTYISSBF-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
O[C@@H](C1=CCCCCC1)c1csc(C2CC2)c1	2248053217	CDKAXLMUKPNPBU-HNNXBMFYSA-N	248.391	4.549	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@](C)(O)CC(C)(C)C	2248869664	JCQXJONKZXTHGN-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
Cc1cc(NC[C@H](C)C(C)(C)C)cc(C)c1C	2249497804	BBJZDZBXKJMGAZ-ZDUSSCGKSA-N	233.399	4.706	0	10	BJAE	
CCCC[C@H](C)Nc1cc(C2CC2)ccc1F	2250120553	FFYDFTDUFCFXTE-NSHDSACASA-N	235.346	4.694	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H]1CC=CCC1)NCC	2250352252	KLDUTNXEWSKEOY-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)C(=O)[C@H]1CCC2(CCCC2)C1	2250354088	ABKBJDPOJOQODJ-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC[C@](F)(CC[C@@H](C)CCCC(C)C)[C@@H](C)N	2250482697	VXFOBJNBTBCGGO-ZNMIVQPWSA-N	245.426	4.695	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@@]12CCCC[C@@H]1CC2	2251213166	WICUGDJYSXBLQC-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)N(C)[C@@H]1CC(C)(C)CCC1(C)C	2251717593	JIQRBOACFIPKBX-UONOGXRCSA-N	239.447	4.712	0	10	BJAE	
N[C@@H](C[C@@H]1CCCCC12CC2)C1CCCCCC1	2253832026	LPIAQWXMGMOYJT-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)CC[C@H]3CC[C@H]2C3)C1	2253937541	IZBBJCTYAAFITN-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(OCC2CC3(CCCC3)C2)c1	2254081793	GHKYNKIFIMQZAL-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CC1CC2(C1)CC(NCCC1CCCCCC1)C2	2254148059	IEUNTUDBGBVDLR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@@H]1CC12CCCCC2	2254593747	IUQQUWZPNAVXFP-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@H]1C)[C@@H]1CC=CCC1	2254594790	RZWJJLYAUUKMFH-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H]1CCC[C@@H](C)CC1	2255050903	MJAOHMBCYNWZQK-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
O=C(CC1=CCCCC1)[C@H]1CCCCC12CCC2	2255061712	DOBQFHKXAZRHBG-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@H](F)C2CCC2)c1	2257908014	UQESKKCKHJLEIQ-HNNXBMFYSA-N	249.373	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC(C)(C)c1ccccc1	2259467628	ZQXSQRFUKCBGPL-GDBMZVCRSA-N	247.426	4.508	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2CC3(CC(C)C3)C2)C1	2259570453	UAGQUDZDZQGRPT-WERHSETGSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@]12CCC[C@@H]1CC2	2260486211	BQDZVFLJNZFWGY-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c(OC[C@@]23CCCC[C@@H]2CC3)c1	2260577395	FIQLHSKDHRYSEV-WBVHZDCISA-N	244.378	4.653	0	10	BJAE	
CC1(C)C[C@@](C)(CC[C@]23CCCC[C@H]2CC3)CN1	2260586752	JFXSVVYOVCPJHQ-USXIJHARSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(NC[C@@]23CCC[C@H]2CC3)cc1C	2260592470	QNDWVRHVVZUPNI-RDJZCZTQSA-N	243.394	4.550	0	10	BJAE	
CC1(C)C(C(=O)C[C@]23CCCC[C@H]2CC3)C1(C)C	2260613174	GFJMBPULPFCOJH-YVEFUNNKSA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(NC[C@]23CCC[C@@H]2CC3)C1	2260632370	CVXFKAVCOSHHSI-MNAZLIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@]23CCC[C@@H]2CC3)C1	2260673092	QTFXTYPEOIUNPU-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C=C1CCCC1)C1CC(CC(C)(C)C)C1	2261180815	CVNYDEZIDGGBCI-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC1CC(CC[C@@H](N)c2ccc(C(C)C)cc2)C1	2261510460	BRZQZXDUCVVNPB-MQBCKMQZSA-N	245.410	4.636	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@@H](C)CC1CCC1	2298906955	DCORJCOHJSCUHB-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN(C)[C@H](C)C1CCCCC1	2300676804	SHMINJHKOCBBJC-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1N	2300683871	OBJIHFGOPUCDIN-XHSDSOJGSA-N	239.447	4.602	0	10	BJAE	
CCC(C)=CCc1ccc(OC)c(C(C)C)c1	2300861587	UFODNPSVDOPFIH-UHFFFAOYSA-N	232.367	4.717	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@@H](C)[C@H](C)C(C)C	2301699754	AWCCUXRFSQPJLQ-QXSJWSMHSA-N	239.447	4.568	0	10	BJAE	
CC1(C)CCC[C@@H]1c1nc(CC2CCC2)cs1	2302253570	CGPUMEDCBJFPEA-CYBMUJFWSA-N	249.423	4.779	0	10	BJAE	
CC1(C)CCC[C@@H]1c1nc(CCC2CC2)cs1	2302267683	LLFROTGFBVLACJ-CYBMUJFWSA-N	249.423	4.779	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@H]1CCC(C)(C)C1	2302709115	FIWRDMQMCIGZFE-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CC1=C(C)C[C@H](CNc2cccc(Cl)c2)CC1	2303602493	WDIDPRFKTDVXOZ-CYBMUJFWSA-N	249.785	4.888	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](O)C2(C)CCCC2)C1	2304399229	LBFPSPVNJQPDCJ-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](NCC)C1CCCC1	2307900306	FPFFUWWVKHIBDO-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC[C@H](CC)CCC)C1CC1	2307906374	DXDLTLDKNBPXAP-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@H]1C1CCCCCC1)C1CCC1	2311539189	WNISUWPZKPZDJN-GVDBMIGSSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1C[C@@H]2CC[C@H]1C2	2312905036	IQXWTSTYQJXPDD-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)[C@]12CCCC[C@@H]1CC2	2313310294	YUVSQAHFUXLVGB-CFAJVAMVSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)c1ccc(C)c(CC)c1	2314697625	QLBWPOIAIACFCC-GUYCJALGSA-N	247.426	4.644	0	10	BJAE	
CC(=CCC(=O)c1occc1C)CCCC(C)C	2316539892	OWQUWEBNHVPPMT-UHFFFAOYSA-N	248.366	4.933	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@@]12CCCC[C@@H]1C2	2316998070	GNYAOHKUIHZBJP-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(C[C@@H]2CCN[C@H](C3CCC3)C2)CC1	2317003681	WPRAAASABDWGGD-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C[C@@H]1CNc2ccccc2C1	2317998489	RPAOPPJYOQXBHF-ILXRZTDVSA-N	245.410	4.589	0	10	BJAE	
CC1=CC[C@@](C)(NCCCC2=CCCCC2)CC1	2318546144	PSSCGXXRGLVHQA-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
CC1(NCCCC2=CCCCC2)CC2(CCC2)C1	2318546224	QHGRSUFMDPAJIY-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C(CC1CC1)CC1CC1	2318930703	OEPSHNFYOPTWFF-SWLSCSKDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2319318209	CNVXVBQXTGOXNQ-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1(C(=O)CC[C@@H]2CC[C@H]2C2CC2)CC1	2319731846	WXBQNOMSMCKUSN-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1NC[C@@H]1CCC=CCCC1	2320146069	GKGUBFHTOSAHNV-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC(C)=C(C)C2)CC[C@H](C)C1	2320326597	GNFIKJULGSOOHO-RRQGHBQHSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](C)[C@@H](C)CNC2CC2)CC1	2320333175	DWEQOMUIFZNMRY-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(O)CCCCC23CC3)CC1	2320337798	PVWROPBUQAYDMR-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@](N)(CC2CC3(CCCC3)C2)CC1	2320397226	HJEKDYDFNWXTCZ-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)CC2(C)CCCC2)CC1	2320409123	RAKLPEVZKKOIIR-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@H]2CC[C@@H](C)C2)c1	2320514625	BHEYXZYDDXKUIM-JKIFEVAISA-N	246.394	4.670	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)CCC[C@@H]3CC[C@@H]32)C1	2321599498	VDKLBRCRJSFMGD-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC(C)(C)C1)[C@]1(C)C=CCC1	2321602012	DBGIHRGMEGSTRN-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CCNCC[C@H]2CC=CCC2)C1	2321614019	QMCXFLNAWDTVIY-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@@H]2C=CCCC2)c1	2327697688	SYCUKSGAPPLJRY-RHSMWYFYSA-N	244.378	4.508	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)c1ccc(C)cc1C	2328207775	WQUJHMOVLSKAED-DOTOQJQBSA-N	248.410	4.727	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1Nc2ccccc2C[C@H]1C	2328267330	ADMUVJINQNXSFY-KEYYUXOJSA-N	245.410	4.876	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)c1ccc(C)cc1	2328274772	RJBLDEKOLBGNDF-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CCCCCN[C@@H]1CCC(C)(C)c2ccccc21	20525543	RONKHJJSJKRIIZ-MRXNPFEDSA-N	245.410	4.579	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1ccc(C(C)(C)C)cc1	20554332	ALISYGXQUFNRFS-CZUORRHYSA-N	245.410	4.975	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1C	20555598	UQIRIHLCEMFMTB-MLGOLLRUSA-N	245.410	4.930	0	10	BJAE	
CCc1ccc(N[C@H](C)c2ccccc2C)cc1	21510799	OGMKXFSZGIKWJP-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
CCCC[C@@H](NC1CCCC1)c1ccc(F)cc1	21807687	HFAKVGSDUZKWTF-MRXNPFEDSA-N	249.373	4.589	0	10	BJAE	
CCCN[C@@H](CCC[C@@H](C)CC)C(C)(C)C	70747433	YGCCIHSGVDYUAB-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](C)Nc1cccc(F)c1C	71105905	HUKCHWYKPYUQJJ-NSHDSACASA-N	223.335	4.515	0	10	BJAE	
CCCc1ccc(N[C@@H]2C[C@H](C)CC[C@@H]2C)cc1	85086619	DGXWXNQUURMRTA-JKIFEVAISA-N	245.410	4.876	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1CCCCCC1	87946674	HUDNQALWYICWAX-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](NC(C)C)[C@H]1CCC[C@H](CC)C1	93074360	HDFMWFXNSGBJIB-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@](CC)(CNC)CC1CCCCC1	103999504	HKSQYEQDULRKIQ-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](C)CNc1ccccc1OCC(C)C	109911387	TVLYMENTUNLLKO-CQSZACIVSA-N	249.398	4.570	0	10	BJAE	
CCCC[C@@H](C)NCc1ccc2ccccc2c1	109946768	WNVBINUHDOBQEZ-CQSZACIVSA-N	241.378	4.508	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(C)nc2ccccc12	110385256	KSFVQGJAZPXDAZ-CYBMUJFWSA-N	242.366	4.534	0	10	BJAE	
CCCCCC[C@H](O)c1cccc2ccccc12	112887195	JXZUUBYIZQFDHX-KRWDZBQOSA-N	242.362	4.844	0	10	BJAE	
CC1(C)CCC[C@H]1NC1CCC2(CCCC2)CC1	129436540	UUWPEZIOKSYCPM-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](C)c1csc(-c2cc(C)cc(F)c2)n1	132203404	MVCGJWIHMBOTEC-SNVBAGLBSA-N	249.354	4.771	0	10	BJAE	
CCN[C@@H](c1ccc(C2CCC2)cc1)[C@H](C)CC	133188060	BMUPVSDBBLCEDR-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H]1CC[C@H](C)C1	148418085	PQRXAXRGGRRCTM-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1cccc(CCC)c1	159813279	PVULPGVSTSBSRE-WBVHZDCISA-N	248.410	4.889	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1ccc(C(C)(C)C)cc1	162235869	VFKOJHGWZWAQGS-CJNGLKHVSA-N	247.426	4.810	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C[C@@H](C)CC(C)(C)C	163425028	IYCQDGSJBNRLKC-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](NC1CCCCCC1)c1cccc(F)c1	166420699	YCAJGDUDCDDTRD-MRXNPFEDSA-N	249.373	4.589	0	10	BJAE	
Cc1ccccc1SNc1ccc(Cl)cc1	206724569	NMWJNUYYKSFSBW-UHFFFAOYSA-N	249.766	4.768	0	10	BJAE	
CCCC[C@H](CC)C/C=C\CCNC(C)C	211643524	DGLQKSIVNFTSHB-CDNLZTBQSA-N	225.420	4.537	0	10	BJAE	
Clc1ccc(N[C@H]2/C=C/CCCCC2)cc1	218835881	BXTJCMNUYRHXBB-BPJJOFIESA-N	235.758	4.641	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CC[C@@H](NCC)[C@@H]1C	224982254	JIBCDUDABYTHQB-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)Nc1cc(F)cc(Cl)c1	229995965	BXHBZWBGEBBKHW-UHFFFAOYSA-N	243.753	4.860	0	10	BJAE	
CCCCCC[C@H](C)Nc1nccc2occc12	232951501	MNDZANPIFSTRFR-LBPRGKRZSA-N	246.354	4.599	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC(C)(C)C[C@@H]1C	233404647	PSCANUMDJAHBRC-XJKSGUPXSA-N	245.410	4.876	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)c2ccc([C@H](C)CC)cc21	252725060	ZAVCXGLJSATEFO-PBFPGSCMSA-N	245.410	4.748	0	10	BJAE	
Clc1nc2ccccc2cc1-c1cccs1	258572635	KGLIZHBFAPXYFV-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CCc1ccccc1C(=O)CCC1CCCCC1	302281376	UWABTDNIJKJRCY-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCC[C@@H](CCC1CCCC1)CNC(C)(C)C	305911134	FOMHERIAGLBPQC-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](O)(CCCC(C)(C)C)c1ccccc1	305960572	WSZZUAWQPLXFJM-QGZVFWFLSA-N	248.410	4.891	0	10	BJAE	
CCc1cc(N[C@H]2CCCC2(C)C)ccc1C	306023160	OHZLGFVQXSRKBH-HNNXBMFYSA-N	231.383	4.548	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@@H](CC)CC(C)C	308100698	REXOZFSSIVZZCX-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(N[C@@H]2C=CCCCCC2)c1	310062744	MMWMQJIBLFGBLW-OAHLLOKOSA-N	229.367	4.550	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCCC1(C)CCCC1	310158725	PHHKYDRPBQVPTL-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H]1CCC[C@H](C)C1	310236272	KVJDWDXYFBFIKE-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc([C@@H](C)NCC(C)(C)C(C)(C)C)c1	310834467	JQBMQLBRBUOMPX-CQSZACIVSA-N	247.426	4.718	0	10	BJAE	
C[C@H](CC[C@@H](N)c1ccccc1)C1CCCCC1	311092495	RFRZSHUBODURET-RHSMWYFYSA-N	245.410	4.683	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNCCCC(C)(C)C)C1	313281653	LLAHYBQHTUKTHR-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)[C@H](C)[C@@H](C)CC	318870711	LANMELQHNDUKAY-UXLLHSPISA-N	247.426	4.718	0	10	BJAE	
CCCCCC[C@H](O)CC/C=C\c1ccccc1	324000471	ISRUEUDYRHCSAM-GQPJMJRUSA-N	246.394	4.811	0	10	BJAE	
CCN[C@H](CCC(C)C)C[C@@H]1CCC[C@H](C)C1	379810129	PAQFFRJHWOIMAI-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCN[C@H](C)c1ccsc1	383201038	ZANFCNSRUQNJPE-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
Cc1ccccc1[C@H](N)CCCCCC(C)C	383295590	RVBCSMJMJSGBJD-MRXNPFEDSA-N	233.399	4.601	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@@H]1CCC[C@H](C)C1	383621463	VHBFAALANTVFCI-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)C(C)(C)CC	384067505	ZGJYVMJNMNXCKE-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCC[C@@H](C)c1ccccc1)C(C)(C)C	384738999	KZUJEKZVVAHTRY-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
CC(C)CCC[C@H](C)NCCC1=CCCCC1	385144881	JBVIEHBDKCYLPQ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C(CC)CC	385835861	VADOXICZIDCMKS-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
Cc1cscc1N[C@@H]1CCC(C)(C)C[C@@H]1C	387281441	GGHHKEZEFSIQDP-CMPLNLGQSA-N	237.412	4.683	0	10	BJAE	
CC[C@H](N[C@@H]1CC2CCC1CC2)C1CCCCC1	394332114	SPYJAFAMIRPQJA-MHVXSEJMSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(F)(F)F)c2c(C)csc12	396202052	SCVBBZZXGCJJOJ-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
C[C@H]1C[C@H](CCC2CCC2)c2ccccc2N1	398626387	IAMOQNNHMNJAKI-JSGCOSHPSA-N	229.367	4.555	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)CC1(C)CC1	401404063	NURNRLAPRRTVQU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C[C@H](N)c1coc2ccccc12)C(C)(C)C	404309293	UVBULGIOLUMLNE-FZMZJTMJSA-N	245.366	4.505	0	10	BJAE	
CCCC1(NCCC(C)(C)C2CC2)CCCC1	405946631	CJUZKABRCCVKRY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CCC(C)(C)C1CC1)[C@@H](O)c1ccccc1	405981369	ZWJYYPVZSUPTJO-CZUORRHYSA-N	246.394	4.573	0	10	BJAE	
O[C@H](CCCC1CCC1)CCC1CCCCC1	688413980	FAPZIDKLDQBVIM-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C(CN[C@@H]1CC[C@H]2CCCC[C@H]2C1)CC1CCC1	689016834	ZIDFMRSUSKYGTN-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H](C)CNc1cccc(C2CCC2)c1	690111988	CGCURXWTYMYATP-ZDUSSCGKSA-N	231.383	4.658	0	10	BJAE	
Clc1cc(C2CC2)nc2ccc(C3CC3)cc12	690294870	LZGYXIKUWGIRJZ-UHFFFAOYSA-N	243.737	4.643	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)CC2CC=CC2)CC1	692138109	LGUXVJCIXINAKK-UHFFFAOYSA-N	248.410	4.764	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@H](C)C1CCC1	692669836	HVRZPIWJMWJJSE-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCC12CCCC2	693784880	JPLBBCSXQUOMIH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CCC12CCCC2	694415078	AMMAUOVJECTAMD-ZDUSSCGKSA-N	249.785	4.783	0	10	BJAE	
CCC(C)(C)CC[C@@](CC)(CN)c1ccccc1	696686577	JANRUCYXEAAQMI-KRWDZBQOSA-N	247.426	4.510	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1CC2(CCC2)C1	697842335	IANYBBFBLXFUMN-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](NC)C(C)(CC)CC)C1	701131817	BVTGGYWOSPRBMJ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](C(=O)C(C)(C)CC)c1ccccc1	701330555	ZWHSDMPEDNCHBS-UKRRQHHQSA-N	246.394	4.822	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)C[C@H](C)CC(C)(C)C	709138485	ALYVOXVDKIHRLD-NYTXWWLZSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc([C@@](C)(N)C[C@H](C)CC(C)(C)C)c1	709147198	SDCMZQNPGDRJIY-PBHICJAKSA-N	247.426	4.631	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@H](C)C(C)(C)C	710743986	IFHXXHIVOKDEKH-IHRRRGAJSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@@]1(C)CC[C@H](C)C1(C)C	710765519	MGUVHOCJJWTVSF-RZLSGREXSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C/CCC[C@@H](CC)CC(F)F	713678094	MLQKPSKZSXEYDY-MVIFTORASA-N	202.288	4.580	0	10	BJAE	
C=C/C=C/CC[C@]1(CNC(C)C)CC[C@@H](CC)C1	713723476	GCUKYSFEVUVESB-PWHGLLLSSA-N	249.442	4.703	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)c1cc(C)co1	716148531	PAMCLIWVALVKBT-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)C1=CCCCCCC1	721654876	LRZAXZYYRPCGOO-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC1CC(C)(C)C1	723561973	HIIFVDFJMUSDGV-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1(C)CCCCC1	1900696749	MHAKMFVMWFWWDI-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CCC(CC)CC)CNC(C)C	1900711066	BXGSBOVLEAJJTF-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1sc(C)cc1C	1905374321	NIPSKYZNUQABMC-QWHCGFSZSA-N	240.412	4.615	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccccc1Cl	1905454899	VXSNYLBRXNNOJX-FZMZJTMJSA-N	239.790	4.556	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CC(=O)CC(C)(C)C1	1905457218	YEQMUISOHASNJT-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	1911778377	NPEBWOYBZZLTHX-KGLIPLIRSA-N	234.383	4.540	0	10	BJAE	
CCC(=CC1(C(C)C)CCC1)CNC(C)(C)C	1912062728	MINABOFYJNAIKK-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@H]1CCCC[C@H]1CNCC(C)C	1912110923	AUAFHNAKGHCASM-IRXDYDNUSA-N	249.442	4.561	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC2(N)CC3(CCCC3)C2)C1	1912708786	RSTNEFJBFWMCDH-FICVDOATSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCCC1(CN)CC(C(C)C)C1	1921190178	CCMIAMPJMZGEBA-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CC1(C)C[C@H]1CCn1ccc2c(Cl)cccc21	1921445101	DYFQSUZCCKCNFE-LLVKDONJSA-N	247.769	4.731	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)[C@@H]1CCCC12CCC2	1921606754	TXMWXVVUUJZKFV-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(N)C[C@H]2CCC[C@@H](C2)C1	1923474921	FCZRIEOAYNYWRY-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@](C)(CC(C)(C)C)C1CCCCC1	1924086227	LARDHPAJYYGGLM-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H](C)C2CCCC2)cc1	1924142133	NFSJLJMILRXYEU-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1NC[C@@H]1C=CCCCC1	1925822222	YYNUASYBQPYLGI-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
O[C@]1(C[C@H]2C=CCCCC2)CCC2(CCCC2)C1	1925932127	DSCXSTRHAKPQBU-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CCc1sccc1C1CC1	1931185384	UWEDAHIDYPYQMH-UHFFFAOYSA-N	220.381	4.914	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H](CC)C(C)C	1936211504	XKRYXQYQXAHNNP-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](N)CCCC1(C)CC1	1941263623	DFBCSYNSFGDQHR-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC(C)([C@H](O)CC2(C)CCCCC2)C1	1941981489	FYHCQKSEOSMKLV-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](C)(N)C(C(C)C)C(C)C	1942652551	ILVUTOGJWXLXKN-GDBMZVCRSA-N	241.463	4.704	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H]1CCC(C)(C)C1	1945577845	AFYMZEIIKANXMW-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCCNC[C@@H]1CCC(C)(C)C1	1945592548	NDKBHKKVXIMGDQ-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@@H]1CCC(C)(C)C1	1945598290	LUOVJTKXZVWPGT-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)N[C@H]1CCCC2(CCCC2)C1	1946455274	LYJZVUVHTFJGSV-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)C[C@@H]2CCCC[C@@]2(C)C1	1948595726	JMOSHOLLZUEWGQ-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](O)[C@H]1CCC2(CCCC2)C1	1949400262	UKTHNZAKDRWXDD-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)[C@@H]1CCC2(CCCC2)C1	1949402597	LNXJEXIXLQLJRM-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)c1cc(C)cs1	1950211638	INPBBFCGWBTVEE-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)CC2(C)CCCC2)CC1	1950911529	PGEVYUGJVWCOOB-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CNC[C@H]1CCCC(C)(C)CC1	1950923278	SPCXBLBTPMVBBG-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCNC[C@]1(CC(C)(C)C)CCC[C@@H](C)CC1	1950925219	RHMDZGMMOGQCRZ-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H]1CCC[C@H](C)CC1	1950931865	ZWBFICBRBYPBEW-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](COc2ccccc2Cl)C1	1962980031	IGAVTXCSWMJPBI-NSHDSACASA-N	238.758	4.545	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1967738741	MGPMCVUJLMXYRB-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NC1CCC2(CCC2)CC1	1967794353	WGWWNJKBYRPSBU-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCCC[C@@](C)(N)C1=CCCCCCC1	1978588475	LGIPQNYATJLTEP-OAHLLOKOSA-N	223.404	4.565	0	10	BJAE	
FC1(F)CC[C@H](CCC2CC(=C3CC3)C2)C1	1985536813	MVSSRNGNBRIHCL-JTQLQIEISA-N	226.310	4.702	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](CC)CCC(C)C	1986971721	VMFWNRSZQKEUBB-GJZGRUSLSA-N	227.436	4.760	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@H](C)CC(C)(C)C	1989804586	BHJCRQQNQJTKJJ-DOMZBBRYSA-N	228.420	4.636	0	10	BJAE	
CCCCCCOc1cc(C)c(Cl)cc1C	1989926711	QQQCZLOCXIHXNA-UHFFFAOYSA-N	240.774	4.916	0	10	BJAE	
CCCCCN(CCC)C1CCCCCC1	1991733496	GUPSKVRRYCGRBL-UHFFFAOYSA-N	225.420	4.611	0	10	BJAE	
CC(C)CCN(CCC(C)C)C1CCCCC1	1995675900	RAWPSMCCYXQAKI-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1995888548	OBANRRCIZZTTSY-FOLVSLTJSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H](C)CC(C)C)CC1	1997099834	IUSHQICOULBMKP-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1CCC=CCCC1	2000002555	YWZVUACSOCJZDM-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC([C@@](C)(O)CC2(C)CCC2)CC1	2001134795	ORBFRGLYNCEFRR-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@](C)(O)[C@@H]1CCCC(C)(C)C1	2003003232	BVCRMDHYSXHQOX-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@]1(C)C=CCCC1	2003320946	LFYHRVYNEVKUBI-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
CC(C)=CC[C@@]1(N)CCCC2(CCCCC2)C1	2004223845	ADWDNJZDFDSXHO-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCC1CCC([C@@H](CC=C(C)C)NC)CC1	2004232180	DMXRIVSKEXTRPQ-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCC1(CC)CCC(O)(CC2(C)CCC2)CC1	2004339645	RFTKNTAHPDWHHB-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC(CCC)CNCCC(C)(C)C1CC1	2004711342	IOOATCBWPMFEER-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)CNC[C@H]1CCC[C@H](C)C1	2004711588	LMJMGSSLVGNZSW-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)c1cc2ccccc2s1	2006723423	UTAAAKFIDJYWSR-CMPLNLGQSA-N	244.359	4.520	0	10	BJAE	
C[C@H]1CCC[C@H]1Oc1ccc(C(C)(C)C)cc1	2006725057	DTIKHRUOZYQWOM-SWLSCSKDSA-N	232.367	4.552	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc(CF)cc1	2007024939	MCRWXJHFWAQCJQ-ZFWWWQNUSA-N	235.346	4.537	0	10	BJAE	
CCCCCC[C@H](NC)C1(C)CCC(C)CC1	2007693620	GLOVFUBGHDSIQZ-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C)([C@H](O)CCCC2(C)CC2)CC1	2007694888	UYLLYTQVNIQBGX-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
Clc1ccc(NCC2CC(C3CCC3)C2)cc1	2007809884	HKPSMEVHCUSADF-UHFFFAOYSA-N	249.785	4.578	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)c1csc(C)c1	2007944648	QRQVPJUJQHFRCR-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@H](C)CC(C)C	2007947729	TZZRXDDPZSJJCF-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCN[C@@H]1CCCCC[C@H]1C(C)C	2011444534	TUXLGOBOCMANRT-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(=O)CCC[C@H]1C[C@@H]1C)C(C)(C)C	2011567897	ZMWPFVKTLJIDLH-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C1CC1)C(C)(C)C	2013268023	WIGXDIRWWZGJJT-CABCVRRESA-N	239.447	4.616	0	10	BJAE	
CC(C)C(CCCC1(O)CC(C)(C)C1)C(C)C	2015346752	JCNCSVJEBYLZBS-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CCNCCC(C(C)C)C(C)C	2015347165	NDBMJANYFKQFNH-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)CC1(CC)CCC1	2015599308	JXGDAZWZEWWMDQ-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](Nc1cccc(C(C)C)c1)C(F)F	2015820922	MHGYJGONXPYICS-ZDUSSCGKSA-N	241.325	4.656	0	10	BJAE	
CC(C)C1(CC(=O)C(C)(C)C(C)(C)C)CCC1	2017127659	QVHJIUZHBVAWFN-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C=C(C)C)C1(C(C)(C)C)CCC1	2017131273	NJPOXTKNOXZSIT-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC(C)C1(C[C@@H](N)C2CCCCCC2)CCC1	2017143087	ZZDQXTQQVXSQFY-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017723836	VOFKEFPDFOMAKS-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC(C)(C)C1=CCCC1	2017746798	OKMUWHVHXBUDKY-ZDUSSCGKSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(CC(=O)C[C@H](C)C2CC2)CC1	2017773230	XSBDJYJQNOEGSZ-HSBZDZAISA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@@H]1CCCC[C@H]1F	2018181487	KOSYOWCEJQBYDJ-RRFJBIMHSA-N	243.410	4.558	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)[C@H]1C=CCCCCC1	2019120825	BGJCNAMZIYNTEH-GJZGRUSLSA-N	237.431	4.632	0	10	BJAE	
CCCCCN(C(C)C)[C@@H]1CCC[C@@H](CC)C1	2019198539	AYZQSYJOTQFFLT-HZPDHXFCSA-N	239.447	4.856	0	10	BJAE	
CCN(C1CCCCCC1)[C@H]1C=CCCCC1	2020507192	BODIFMFRTCYKON-HNNXBMFYSA-N	235.415	4.530	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(N)(CC(C)C)CC(C)C	2022563122	OPWDENLEYZZBCZ-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(C)c(NCCCCC(C)(F)F)c1	2023290729	UKMWTNCHDILJAG-UHFFFAOYSA-N	241.325	4.541	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(C)CCCCCN2)C1	2024097910	YVFAOMFPUIIENE-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC1(C(=O)C[C@@H]2CCCC(C)(C)C2)CCC1	2024102062	PGCPKATYSOGBRJ-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(O)CC(C)(C)C1(C)C	2025018009	KWEICSXSEZPAFD-MLGOLLRUSA-N	240.431	4.636	0	10	BJAE	
CC1(CCCN[C@@H]2CCCC23CCCCC3)CC1	2027822090	ONQXTWLAFIHNFZ-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@@H]1CC1(C)C	2028896844	HADGSMDXUANEQF-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CCCNc1ccccc1C1(C)CC1	2032245510	LARGTZPNJQVGIU-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@H]3CC[C@H]2C3)ccc1C	2035047971	XMYZVVDYHKVEJP-UKPHBRMFSA-N	243.394	4.548	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC[C@H]2C=CCCC2)CC1	2035559366	GCXVNFUNOIFGGR-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@@H]1CC12CCCC2	2036130618	WQPMLOVYPXBVQS-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@]2(N)C[C@H]3CCCC[C@]3(C)C2)CCCC1	2036661620	QVUPKPDDPUCHDX-DJIMGWMZSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(N)C1=CCCCCC1	2037100812	IOOVRWBMRNZNKD-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC[C@@](N)(C[C@@H](C)C(C)(C)C)c1cccc(C)c1	2037173348	GVMCCIOSGJRWBX-RHSMWYFYSA-N	247.426	4.631	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1CC[C@@H](C)C1	2037590869	HQYNLBSJCAOQIR-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCC1CCC1)[C@@H]1CC12CCCCC2	2039013419	XOPYTIPLHPBFLM-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)C2CCC(C)CC2)c1	2040634140	VYAPGDYCZLLHKQ-DSSZZKGTSA-N	245.410	4.930	0	10	BJAE	
CCC[C@H]1CCC[C@@H](Nc2ncccc2C)CC1	2041498218	HJOBQYPYLPTKKE-LSDHHAIUSA-N	246.398	4.551	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)C1(C)CC=CC1	2042022259	PEFFMUKAEJNNAN-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@@]1(C)CC=CCC1	2042023699	DSFKBRBIIAHWDJ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@]1(C)CC=CCC1	2042023795	FOCBIWNSQCIKEZ-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@@H]1C=CCCC1	2043186863	HQFSDNWULNLTPP-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCC1CCC(N[C@H](C)CC2=CCCCC2)CC1	2043190072	GROCZPSEHOKJBS-HPUBIQBYSA-N	249.442	4.824	0	10	BJAE	
CCc1ccc([C@@H](NC)C(CC)(CC)CC)cc1	2045731018	UTEQUYMGCHJHKE-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)C[C@H]1CC12CCCCC2	2047057665	CECLYEPNDAAPBO-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1C[C@H]2CCCCCC[C@H]21	2047436870	HREUWFKYLOQGOX-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
N[C@]1(CCCC2CC2)CCCCC12CCCCC2	2047562115	LEYLWQIDPGJLBO-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2048465136	DUVNMBMIHQABIZ-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
NC1(CC2CCC=CCC2)CCCCCCCC1	2049668690	BZMIEZVMOBVMHK-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
N[C@@H]1CCCCCCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2	2049704024	KBQHQFXJPIVWID-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC2(CC2)C1)C1CCCCC1	2049849637	RTRCWDLFKQKAGM-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NC[C@@]2(C)C=CCC2)CC1	2049980003	UXLQSOMSAZBOGO-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@]1(C)C=CCC1	2050005968	JVXQXFCUPUHMET-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
O[C@@H](CC1=CCCCCCC1)c1ccccc1F	2050449304	MHRHUOLRIKRCQL-INIZCTEOSA-N	248.341	4.530	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H](CC)C1)c1ccco1	2050527617	KLHSTWGPHRNGPD-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CC[C@H](N[C@H](CC)c1ccccc1)[C@@H]1CC1(C)C	2053264953	LPNRFKCLMFZEFL-XHSDSOJGSA-N	245.410	4.552	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC1(C2CC2)CCCC1	2057649667	XWGAEGPUIBFUGC-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC2CC2)CCCC1(C)C	2059253376	QAAZSSCLPPHWNV-BDUNBXCCSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CC2CCC1CC2	2059259445	PBFUNYJBYXYRIW-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)C1=CCC(C)(C)CC1	2061114181	WFNAJYSUYKQOQW-WBVHZDCISA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@](C)(N)[C@@H]2CC2(C)C)CC1	2061114916	CKRJCRRFFJKFLP-SUYBPPKGSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@]1(C)C[C@@H]1C	2061142330	BUNZTMOWRNNKGB-XJNFMUPTSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@@](C)(F)c2ccc(N)cc2)CC1	2061146175	FGZOEEGEUJYPPX-BLLLJJGKSA-N	247.357	4.590	0	10	BJAE	
C=C=CCC[C@@H](CCC1CCCCC1)NCCC	2061560610	HSKOELLGYIXKNG-KRWDZBQOSA-N	249.442	4.836	0	10	BJAE	
CC1(C)CC[C@H](CC2CC(=C3CCC3)C2)C(=O)C1	2061695776	HTOLJSOYYFNZQV-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](C)C1CC2(CC2)C1	2064595266	HSUAOHFFVPZWGR-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)CC12CCC(CC1)CC2	2065306166	SAZUTJMNZJGEIQ-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(C)c(OC)c1	2065989750	HCEOAJSRITWNOL-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CC23CCC3)CC1	2069167389	HVZMWVLPUCDPBR-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@@H]1C(C)(C)C)C1CC=CC1	2070807226	IDZRDRNJKJLWQH-BPUTZDHNSA-N	249.442	4.536	0	10	BJAE	
C[C@@H]1CC[C@@H](N2CCC[C@H]2C2CCCCCC2)C1	2071964647	LDPPWEQWZHFFCW-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C[C@]23CCC[C@H]2C3)CC1	2072704702	QJDVKNRRHBBIND-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC=C(C)[C@@H]2N)CC1	2072806198	JQSSJTGCVIOCPL-GQGLESIBSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@]12CCCC[C@@H]1C2	2074094108	JOBSNOVAJCPGMD-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C[C@@H]2CCNC3(CCCC3)C2)CC1	2074139994	XGYJBMXKJNPBQT-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(C(=O)CC2(CCF)CC2)cc1	2074590514	KWMZETACJLBSLK-UHFFFAOYSA-N	248.341	4.523	0	10	BJAE	
CCCC1(CN(C)[C@H]2CCC23CCCCC3)CC1	2074591773	VHDIVJAGXNKZLS-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)C1(C2CC2)CCCC1	2074634541	SALKEUYSPMFNQY-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CCCCC3(CCC3)C2)C1	2074888413	KJGFMSGXXCAUGS-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(C)c(CN(C)[C@H](C)CCC(C)C)c1	2074924105	YKJYNVVHVZOCJP-MRXNPFEDSA-N	247.426	4.560	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@H]1CCC12CCCCC2	2075009944	DIAHDRQRIJLYLX-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
CCC[C@@H]1CCCCN(CCC2=CCCCC2)C1	2075152431	UCKWHLRUHIXAGF-QGZVFWFLSA-N	249.442	4.779	0	10	BJAE	
CC1(C)CCC[C@@]2(CCN2[C@H]2C=CCCCC2)C1	2075406570	BUHGAZNBNTZFMA-DOTOQJQBSA-N	247.426	4.530	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2CCC23CCCC3)c1	2077264397	QXBVTAAMZPZDQI-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
CCC1(CC)CC(N)(C[C@@H]2C[C@H]2C2CCCC2)C1	2079831087	ICLKAVXDPMMYIB-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@@H]2C[C@H]2C(C)(C)C)c1	2079849957	BUTDXFJMGQWAQZ-DZGCQCFKSA-N	244.378	4.558	0	10	BJAE	
N[C@]1(C=C2CCCCC2)CCC[C@H]2CCCC[C@@H]21	2081141211	ORMMZFNTMFIYQQ-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
CC(=CCCNC1CC1)C[C@@H]1CCCC(C)(C)C1	2082977493	ZOZAQLYTLVWJET-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H](N[C@@H]2CCCCC23CCC3)C1(C)C	2084369039	UMLJCTLLINOTGW-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(C[C@H]2CCC=CCCC2)C1	2085308429	REEFEORNEMMAET-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CC[C@@H](C(C)C)C1	2085313873	MAMZSPCVDUIPCU-HIFRSBDPSA-N	249.373	4.625	0	10	BJAE	
CC[C@@H](C)Cn1c(C)cc2cc(Cl)ccc21	2211378980	QYECOFJXCPURQI-SNVBAGLBSA-N	235.758	4.649	0	10	BJAE	
C[C@@H](CCCN)CCCCCCCC1CC1	2212461615	JDYCPRLIXRGGJM-CQSZACIVSA-N	225.420	4.502	0	10	BJAE	
CC1(C)C[C@H](CCCCCCC2CC2)CCN1	2213573227	FMEXNTXCEGGJFP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@H](CC[C@@H]1C[C@@H]1C)NCC	2215243975	GPYBGVZZUJQKBZ-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](N)CC1(C)CC2(CCC2)C1	2215386380	LRKPZNHPORFMEX-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@]1(C)[C@@H](N)CCCCCCCC1CC1	2216878591	VNOKKXIADLMIQX-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)CCNCCCCCCCC1CC1	2216883654	MSMOXYBDSRKPIQ-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)NCC1([C@@H](C)CC)CC(C)(CC)C1	2217141261	SFDOUSAQUCIDNX-FXQLRMTLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2218019217	SXFZQGUKZGGTMP-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1cccc2ccccc12	2220930406	VLPGNHUQBCJNGY-ZFWWWQNUSA-N	239.362	4.688	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(C=C2CCCCC2)C1	2222261082	RXJPEDXPXDPXND-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
N[C@H]1C[C@@H](CCCCCCCC2CC2)C12CCC2	2223130742	QBHYBIJSOPVXEJ-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCC(=O)c1cccc(-c2csc(C)c2C)c1	2246395536	GYKABAQPRUCWPL-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
CCC(CC)CC(=O)CC[C@@H]1CCC[C@@H](C)C1	2246659156	GOTKHXHGRQQFTJ-HIFRSBDPSA-N	238.415	4.988	0	10	BJAE	
CCNC[C@](C)(CC)CC[C@@H]1CCC[C@@H](C)C1	2246665898	SZLDXHNPKWWOHB-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCCCNC(C)(C)C)C1	2246725551	HJVUBVVCDLEJEY-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCC2(CO)CCCC2)C1	2246726553	KMBHSTLITZDYSU-CABCVRRESA-N	238.415	4.536	0	10	BJAE	
CN[C@H](CC[C@H]1CCC[C@H](C)C1)CC(C)(C)C	2246731612	HUXDSTOUSPJVSF-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(NC[C@@H]2CCC23CCC3)c1Cl	2247394691	QMKNKSONHFZSFS-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CC(C)CCCC(=O)CCCCC[C@@H]1C[C@H]1C	2248879664	NYFATMRRGZZXFF-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(N)C(C)(C)C	2250473572	FIMWNAHJCOBPSG-ZBFHGGJFSA-N	241.463	4.993	0	10	BJAE	
CC[C@H]1CCCN1CC[C@@H](C)CCCC(C)C	2250515478	ZFCYYEARTFUKAT-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(CO)C1CC1	2250517605	DIPCSVBYNJXDHO-ZBFHGGJFSA-N	240.431	4.638	0	10	BJAE	
CC[C@@H]1CC[C@@]1(N)CC[C@H](C)CCCC(C)C	2250518396	SALCMPFRCWPGSH-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCC=CCCC2)C1=O	2251716085	CZAZFJOCRRKJRO-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCCC1(C[C@H](N)CCC2CC(C)C2)CCC1	2251752745	JJSQPPDMSHWCKE-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1CC[C@@H]1CC[C@H]1CCCCC12CC2	2253786870	ZDLISIQZEOQWHA-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@@H](N)C[C@H]2CCCCC23CC3)CCC1	2253834410	ZEHWAJYEHLOBOD-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@@H]2CCC23CCC3)C1	2254971699	CICWXOFLWSVXHU-QEJZJMRPSA-N	246.394	4.518	0	10	BJAE	
CN[C@@H](C[C@H]1CCCC12CC2)C1CCCCCC1	2255245393	LDDPKJRVRBNIJJ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(NCC[C@@H]2CCCC23CC3)CCC1	2255285467	XLHNGEGVJBEDBE-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1C[C@@H](C)CC[C@@H]1C	2256142516	SOSJYVPVCPNHNA-SLEUVZQESA-N	249.373	4.625	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCN1CCC12CCCCC2	2257309092	YBJFUFJTQINHBE-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cccc(C2(C)CC2)c1	2259434614	DEHXATLTINXNJJ-BBRMVZONSA-N	245.410	4.564	0	10	BJAE	
CC1CCC(CC(=O)[C@]23CCCC[C@@H]2CC3)CC1	2260524361	LYGXGGXPAFXGRY-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)[C@@]2(C)C=CCC2)C1	2261262244	MCFKPGPVEUBOCT-KVULBXGLSA-N	248.410	4.764	0	10	BJAE	
CC1CC(CCC(=O)C[C@H]2[C@H]3CCCCC[C@H]32)C1	2261512798	JVMYMGCGMJKMBD-QUZOXXGXSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CC1)N(C)C1CCCCCCCC1	2298901189	UWNGMYSYHSQREY-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
CCC(CC)CC[C@](C)(N)[C@H]1CCC[C@H](C)C1	2300680032	ZEMMLCJNKUPPIH-BPUTZDHNSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@H](N)C1C[C@H](C)C[C@@H](C)C1	2300683929	OTYRLFJNKBQROF-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@](C)(CC=C(C)CC)CNC1CC1	2300860070	CKNQXAUIXOOPAH-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H]1CCCC(C)(C)C1	2300875005	QKYOUDPANSMKNO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1CC[C@](C)(CC2CCCCCC2)C1	2301141601	AWJZGNXTWQDCPQ-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1CC1CCCCCC1	2301148076	QGBYLBOHETXBFS-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)NC[C@H](C)[C@@H](C)CC1CCCCCC1	2301185390	JJYJIAXMFAOUFP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)C[C@@H](C)S[C@H]3C	2301730526	RTGAEMIXPVJMRY-MNOVXSKESA-N	245.391	4.524	0	10	BJAE	
CC1CCC(C)(C(=O)[C@H](C)[C@@H](C)C(C)C)CC1	2301840799	QGTUKRIGICDURR-IOSBVQAASA-N	238.415	4.700	0	10	BJAE	
O[C@H]1CCCC[C@H](CCCC2=CCCCC2)C1	2302342793	MVUMBSOVOCBEBC-CVEARBPZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CCCCC2CC2)C[C@H]1C	2302580193	QFWYQGPUZQNWTL-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@H]1CC[C@@H]1C(C)(C)C	2303461280	IHVWHBLLYYCLCY-ZQDZILKHSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1CC[C@@H]1C(C)(C)C	2303475152	JYLQOPNTCHCOKZ-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@](C)(O)CC(C)(C)C)CC1	2303528267	ZSSYELCCZLUMGD-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC[C@@H]1C[C@H]1CC	2303624920	WRYGFSMEHGLNNB-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C2CCCCC2)C1	2304431380	KLHLZJVAYZMICV-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCC(C)(C)C2=O)C1	2304447775	RCRXQEUGRWRDBL-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@H](C)C2)c1F	2307559030	IUVOLKSPAZVTLD-NWDGAFQWSA-N	235.346	4.550	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@H]1C[C@@H]1CC	2307893758	JMBOFAXSZNKXGB-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCC[C@H](NCC)C1	2307908257	OULUPBKOWVZHPB-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC1CCC1)N[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309184515	HREUWFKYLOQGOX-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(N[C@H]2CC[C@@]3(C(C)C)C[C@@H]23)c1C	2310123601	FZSKRMCGYNNGGY-XIRDDKMYSA-N	243.394	4.540	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2310377611	JKPOXKKABIFPGE-PNBKFKSVSA-N	248.410	4.598	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@H]2CC[C@H]3C[C@H]3C2)c1	2311331516	XIAAHIYHKNITOA-KKUMJFAQSA-N	241.378	4.555	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCCC1	2311570445	KVAFBGVELKPPPF-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1CC[C@@H]2C[C@@H]2C1	2312333053	WGXUQSJCAZCLNG-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2CC[C@@H]3CC[C@@H]32)c1	2313072982	GPVCKJOWDCRNKI-RCBQFDQVSA-N	243.394	4.585	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2313322894	PUFRIOTXZLYSOS-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@H](NC)[C@@H](C)CC(C)C)ccc1C	2314694620	MDVKMVVQRJJOIY-WMLDXEAASA-N	247.426	4.500	0	10	BJAE	
CCC(C)=CCNc1cccc(O[C@@H](C)CC)c1	2316488691	JBWQTRULOCPCPL-AWEZNQCLSA-N	247.382	4.632	0	10	BJAE	
CCC(C)=CCN(C)[C@@H]1CCC2(CCCCC2)C1	2316506815	SMLZANZTFJKJEC-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCCN[C@H](C)c1ccc(C)c(C[C@H](C)CC)c1	2317099841	PXPPJLUPCPWCRN-UKRRQHHQSA-N	247.426	4.644	0	10	BJAE	
CC1(CCNCCCC2=CCCCC2)CCCC1	2318551672	RDLOQXABOBWUQK-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
COc1c(C)cccc1CCCC1=CCCCC1	2318569389	QLCNSTFNNHBZRE-UHFFFAOYSA-N	244.378	4.827	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)CCCC1=CCCCC1	2318588597	HUMCJLXKMRAPHG-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
C[C@@]12CC[C@@](C)(CN1CCCC1=CCCCC1)C2	2318592124	FYSNVGSJPYSHTE-SJORKVTESA-N	247.426	4.532	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)CC[C@H]2CC[C@H]1C2	2318596150	WRTYFEPHQMNCHF-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC2(N)CC(C3CCCC3)C2)C1	2319030694	OSTKWFPDSDHSBR-KTAKPFMOSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1N[C@@H]1CCC12CCCCC2	2320173538	QAUCWWGNQHBADR-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCCN(C[C@@H]2CCC(C)=C(C)C2)C1	2320333545	HVTIDHVRFURUBU-IAGOWNOFSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@](CNC(C)(C)C)([C@@H]2C[C@H]2C)CC1	2320387578	IEVBJFNQKFIQME-FRFSOERESA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](C[C@H]2CCC(C)=C(C)C2)NC)CC1	2320415983	GGAARZIIVJIXDV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@H](CC2CC2)C2CC2)C1	2320818470	GKGFAPMLXGPPCL-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1	2321604300	ACUYUFLNEKLIGK-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
C[C@]1(N)C[C@H]2CC[C@H]1C[C@H]2CC1CCCCCC1	2327756431	SNNYCGWKRDMRBN-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CCCCCCc1ccc(CCC(=O)CC)cc1	2327904746	DMMXUQRDQTWBPY-UHFFFAOYSA-N	246.394	4.721	0	10	BJAE	
CCC[C@@H](CC)C[C@H](F)c1cccc2c1NCC2	2328281400	HQXXUKGJRIZLDN-DOMZBBRYSA-N	249.373	4.882	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1Nc1ccccc1F	19980289	NEPDZTPBDBYPOE-TZMCWYRMSA-N	249.373	4.843	0	10	BJAE	
Cc1ccc(N[C@H](C)c2ccccc2C)c(F)c1	20371680	YJSDKYSDWNGJDT-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCCC)c1ccccc1	35575738	WVSBLCVLGAKUSA-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCCC[C@@H]1C(C)(C)C	36920837	SJHOJPGCACCDCK-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1NC1CCCCCC1	36974263	NLYSQMHXDXBICQ-UHFFFAOYSA-N	231.383	4.774	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(C)c(C)c1	68985450	VVGVEGPSLRIISI-CQSZACIVSA-N	219.372	4.684	0	10	BJAE	
CCCC1CCC(N[C@@H](CC)CC2CC2)CC1	70106010	FBZYCZNYNHSGAY-SIWZUTFBSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@H](N)CC(C)(C)C	71562557	BUOMRYLELVWSMQ-OAHLLOKOSA-N	247.426	4.729	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)C(CC)CC	82632464	MPQCVOCXTQKBRA-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)CNC/C=C/c1ccccc1	83374563	RSSOEGZMMQKSID-LRFDDAOPSA-N	245.410	4.506	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2cccc(Cl)c2)CC1	83427102	WFYLYMMECNWHRI-DGCLKSJQSA-N	237.774	4.721	0	10	BJAE	
CCC[C@H](C)N[C@H]1CCC[C@@H](CCC)CC1	83437216	BUSHYSOWCFCXGM-ZNMIVQPWSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CCC[C@@H](C)C2)cc1C	86494061	KYXRANITVUBNJL-ABAIWWIYSA-N	244.378	4.621	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C1CCCCCC1	87947022	ICJWTRZRBJZADM-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC([C@H](NCC)C(C)(C)C)CC1	87964183	ZENZGSNLTBCQMP-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
c1ccc(Nc2cc3c4c(cccc4c2)CC3)cc1	90751754	VHBBOMDBHYUZJN-UHFFFAOYSA-N	245.325	4.682	0	10	BJAE	
CCCCC[C@H]1C[C@H](CCC)CC[C@@H]1CNC	125465151	CVOXTUCMSSLALJ-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@@H](O)c1c(C)c(C)c(C)c(C)c1C	167631449	CAIWJHGVSVDIJX-MGPLVRAMSA-N	248.410	4.698	0	10	BJAE	
CCCCC[C@H](O)c1cc2sccc2s1	168419748	JLZBOOQNPPEZDT-VIFPVBQESA-N	240.393	4.577	0	10	BJAE	
CCC[C@H](NCC)[C@@H](CC)c1ccc(CC)cc1	212614823	SKCKBUGQVVRSJO-IRXDYDNUSA-N	247.426	4.521	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCC[C@@H](CC)C1	226933699	FCFCUEBGGZYYHG-OAGGEKHMSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CCC[C@@H](CC)C1	227394802	WFJDDCDCFUWDPD-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
Clc1ccnc(-c2ccc(C3CCC3)cc2)c1	227694153	WYVRYKFJUVLGEZ-UHFFFAOYSA-N	243.737	4.670	0	10	BJAE	
Cc1cc([C@@H](O)CCC(C)(C)C)ccc1Cl	229341457	PQCSVTZIJLCOPZ-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CCC(=O)c1ccc(N[C@H](C)C(CC)CC)cc1	232867929	CPNAQJWYIPVADT-GFCCVEGCSA-N	247.382	4.516	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H](C)c1ccccc1	233162644	SOPSXCMNFPTGOW-DOTOQJQBSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	252811459	GUERZPZOMWJWMC-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCCC(=O)c1ccc(Cl)s1	300963079	YRWWNYZCVOXMMC-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccc(CC)c(CC)c1	302292217	CXDCBZWIKJSETR-DYVFJYSZSA-N	248.410	4.671	0	10	BJAE	
CCC1CCC([C@H](N)CCCC(C)(C)C)CC1	302295159	LXJQFLCOEOJWIX-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)C1=CCCCCC1	302318431	GSHFGBVUWNDCKB-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCCOc1ccc(NC[C@@H](C)CC(C)C)cc1	302414399	SZKAGUFZZKKYNI-AWEZNQCLSA-N	249.398	4.570	0	10	BJAE	
CCC[C@H](Nc1cccc(Cl)c1C)C1CC1	304259355	ALLZNMAPOPVPQH-AWEZNQCLSA-N	237.774	4.639	0	10	BJAE	
CCCNC[C@@](C)(C[C@H](C)CC(C)C)C(C)C	305971770	PYCUZCCTQJOCNG-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
Fc1c(Cl)cc(C(F)F)c2sccc12	307440076	WSDSMCIZEUHOCY-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCCC1([C@@H](O)CC2CCC(C)(C)CC2)CC1	310570865	ZFAGBKZYXUJXRB-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(NCCC2CCCCC2)cc1C	310696351	VGRIXNMUNXWPCF-UHFFFAOYSA-N	245.410	4.940	0	10	BJAE	
CC[C@](O)(C[C@H](C)CC(C)C)c1cccc(C)c1	310790669	QTHZOFRQPKNOPL-WBVHZDCISA-N	248.410	4.665	0	10	BJAE	
CCC[C@@H](N[C@H](C)c1ccc(C)o1)C1CCCC1	313416808	VRPCHONYFWFUPO-UKRRQHHQSA-N	249.398	4.598	0	10	BJAE	
CNC[C@@]1(CCC2=CCCCC2)CCCC[C@H]1C	316858770	STEVQGQGAREITJ-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
C[C@@H](CC(=O)C(C1CC1)C1CC1)C1CCCCC1	380893033	KAXLUDLOMOBQLS-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC2(C)CCCC2)C1	383582876	FWHVJWSGTLVUHQ-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCc1ccccc1[C@H](O)C1(C)CCCCC1	384490426	KOMUGJVVZYONQT-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CCC1(C(=O)C[C@@H](C)c2ccccc2)CCCC1	384687823	BYKFBILLCHOADO-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
Fc1ccc2ccn([C@@H]3C=CCCCCC3)c2c1	384940106	CDTQEEQRJOSXRO-OAHLLOKOSA-N	243.325	4.842	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1ccc2sccc2c1	386357374	VOJLIISBQFGXPF-XHDPSFHLSA-N	247.407	4.598	0	10	BJAE	
CCCC[C@@H](CC)CNc1cscc1C	387203107	OOQNUFYPVHZLQT-GFCCVEGCSA-N	225.401	4.685	0	10	BJAE	
CC[C@@H](Nc1cscc1C)c1ccccc1F	387221727	SRJHQNBWWNCQEE-CYBMUJFWSA-N	249.354	4.759	0	10	BJAE	
CCC(CC)[C@H](C)NCCC1CCCCCC1	394582757	UBEMYXXXGQMSDY-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1NCC1(C)CCCCCC1	394650311	YQNPSADBIXEYGE-UHFFFAOYSA-N	231.383	4.767	0	10	BJAE	
CCc1cc2c(CC)ccc(SC)c2s1	396172229	WYJKJXQJOFXUBX-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1c(F)ccc2cc(C(F)F)sc12	396199551	OVTBJWUAKKGBAG-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CSc1cc(C)cc2cc(C(F)F)sc12	396409670	QUFICHQRIZZUBG-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCc1ccccc1N[C@@H](CC)[C@H]1CC1(C)C	397587205	AYIKEVUBHHEEAO-CABCVRRESA-N	245.410	4.876	0	10	BJAE	
CCC[C@H](N[C@@H]1CC12CCCCC2)[C@H]1CC1(C)C	397655191	MQIBCPOJGDFMTA-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@@](CCC2CCC2)(CNC2CC2)C1	398666915	QLSRKCLWNFHFEN-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H](CC)CC(F)F	688731603	SNMPXNRPHXSGGQ-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc(SCC)c1	689699054	IGHXDWQJNVWMCN-GFCCVEGCSA-N	237.412	4.789	0	10	BJAE	
Cc1ccc(N[C@@H](C)CC2CCCCC2)c(F)c1	689713891	CSMDSNHVBYCTTQ-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1ccccc1C	691137151	KDSKZSITJPOTMZ-GDBMZVCRSA-N	231.383	4.766	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1CC=CC1)NCCC	692059086	LEGXSTBSICVFAS-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC(C(=O)C2CCC3(CC2)CC3)C[C@H](C)C1	695669257	YQCIZHZGIISGNG-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
N[C@H](C1=CCCCCCC1)[C@H]1CCCC2(CC2)C1	695987457	XYCKVLDZWFSDNQ-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@@]1(C)CC[C@H](C)C1(C)C	699087930	GYJQYNRZMJEPDC-RZLSGREXSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCC(C)(CC)CC)C(C)C	701153723	OBVRCWMJMRDSNB-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc([C@@H](N)CC2=CCCCC2)c(Cl)c1	704487875	CYTPXHIECGWAHS-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H](C)CC(C)C	709263143	VYKYDNOPSBNDJT-AWEZNQCLSA-N	226.404	4.844	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@@H]2CC3CCC2CC3)C1	709451661	ZLIGFAUBBIQVJN-NVDSNGLKSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)C1CCC2(CC1)CC2	709957727	HIRCVMNUTANSLV-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1cscc1Cl	710452085	MFPDROSKKVYXCY-BXKDBHETSA-N	246.803	4.507	0	10	BJAE	
CCC[C@@](N)(C[C@@H](C)C(C)(C)C)C1CCCC1	710718184	DXWPXTJNYGEKSH-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)c1cc(C)cc(C)c1	711247684	SYLWSKBPYJNXOQ-KRWDZBQOSA-N	248.410	4.727	0	10	BJAE	
CCC(C)(C)C[C@]1(N)C[C@H](C)CC[C@@H]1C(C)C	713241750	GQAMXYWJKKBEIW-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
C=C/C=C\CCCC(C)(C)C(C)(F)F	713668556	COWVSAMBLMJXLS-SREVYHEPSA-N	202.288	4.580	0	10	BJAE	
C=C/C=C/CCc1cccc([C@H](C)CC)c1O	713681245	YQXAGJYVMVXSIC-KTRBRXNASA-N	230.351	4.581	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]21)C1CCCC1	714258594	PGJQKLMWLVYXKQ-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CN[C@H]1CC(C)(C)CC[C@@H]1CCCC(C)(C)C	717463066	JHTCVPVUECZMJR-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNC1(C2CCC2)CCC1	717810563	ITFYXNWOUYZHLD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC)CCCCC(C)=C(C)C	718652800	OIAZWMNKOAACNV-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CCCC(C)(F)F)C1	718669371	UQRPAYWLCJOFLZ-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NCCC2CC=CC2)CC1	724179399	LEAMZMAEZRBPLS-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CCCCC1(NC[C@H]2CCCC[C@@H]2CC)CC1	1184253481	VYINLTWRZNIWSA-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC=CCCCC[C@@H](CC)CC(F)F	1885365054	ZKWSBGAVAMHFRN-LLVKDONJSA-N	204.304	4.804	0	10	BJAE	
CCc1ccc([C@H](O)CCC(CC)CC)s1	1900703229	RHTFGHHQHONDRE-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
CCC(CC)CCC(=O)CCC[C@@H]1C[C@@H]1C	1902185536	OQADWTGMTQIXGJ-GXTWGEPZSA-N	224.388	4.598	0	10	BJAE	
C=CC=CCC[C@H](CCC(C)(C)C)NCCC	1912015043	ZFOBJFJXYYTOBM-OAHLLOKOSA-N	237.431	4.703	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@H](C)CC[C@H]1CNCCC	1912093390	YUADCCLXBBZOOY-ZACQAIPSSA-N	249.442	4.561	0	10	BJAE	
CC(C)(C)NC[C@@]1([C@H]2CCC2(C)C)C=CCCC1	1916615490	KQPJYLLMAUHPBH-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@](C)(N)CC1CC(C)(C)C1	1920188789	IWNJJCOEQNRRNH-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CCCC[C@H]1NC[C@@H]1CCCC12CCC2	1921606042	QRVJFBUIQOVLMS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@@H](C)C1CCCCC1	1924136033	PQYRDZCSDIRGBB-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2C=CCCCC2)sc1C	1925765342	OBAWNOPPCNGINX-CYBMUJFWSA-N	248.391	4.684	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC1CC(C)C1)NC	1927027194	OVCSCYGFRPETQV-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC(=C2CCC(C)(C)C[C@H]2CN)C[C@H]1C	1927148291	XKQXKFLATYOYKQ-NFAWXSAZSA-N	249.442	4.524	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CCCC1(C)CC1	1935941804	XRRWEXWEECTORK-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(OC[C@@H](C)CC(C)C)c(Cl)c1	1936603745	GXRSOLQCTNZLFI-LBPRGKRZSA-N	240.774	4.709	0	10	BJAE	
CC(C)CCC1(O)CCCCCCCCC1	1938717957	BROOQXXJOXGMQX-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)CC1(C)CCCCC1	1940414200	IEBYFPYUCOTRIX-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1CCC=CCC1	1941795294	JGZCWBIISLRLKK-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CCN[C@H](CCC(C)C)C(C)(C)C1CCCC1	1944646621	NAABGBYQBDGCHX-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1CCC[C@H]1C)NCC	1944847829	YYUXPPIWJNVSTI-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](O)C12CCC(CC1)C2(C)C	1945635557	ZZSXUPAKQCYWLN-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1cccc2sccc12	1945954777	APUDUDHSUGLUOH-XHDPSFHLSA-N	248.391	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cccc2sccc12	1945956320	FRTLVFLZAXOZIN-IAQYHMDHSA-N	247.407	4.727	0	10	BJAE	
CC[C@@H](NC1CCCCCCCCC1)C1CC1	1947878044	DFSARSYJBIIWKB-MRXNPFEDSA-N	237.431	4.658	0	10	BJAE	
C=CC=CCCC1(O)CCCCCCCCC1	1947880628	YYCJBRLJSTXBIM-UHFFFAOYSA-N	236.399	4.764	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CC(C)(CC)C2)CC1	1948393016	QZWVCNRWHMGOFZ-WXLSXGNJSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CCCCCCC1CC1)NCC	1948427887	CRMBHUKSFNNYKL-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CCC1=CCCCC1	1949043189	LQFIDBJFXAJMHB-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCC=C[C@H](C)Cc1ccc(OCC)cc1C	1951309060	UBQCGIBZESCFQR-ZDUSSCGKSA-N	232.367	4.539	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](NC2CCC3(CCC3)CC2)C1	1965978972	SHWWSDBGQGJIPZ-FOLVSLTJSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCC[C@@H]2C2CC2)CC1	1967846405	CTMISPIOEMSHCF-JCCCHCCOSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1ccc2c(c1)CCC2	1968357987	HYZMMYDJMGVHPN-CQSZACIVSA-N	245.410	4.802	0	10	BJAE	
CCC[C@@H](NC1CC(C2CCC2)C1)C1CCCC1	1970935508	XEOJXAHUJHMLCY-OFLPRAFFSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C1(C)CCCCC1	1975569829	AAPNXGSABXJYFI-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)Nc1ccccc1SC(C)C	1975966996	RHNQEYKNFADIAF-LBPRGKRZSA-N	237.412	4.788	0	10	BJAE	
CCCCCC1CC(N[C@H](C)CCCC)C1	1984691961	HYFJKAXSTWNGAY-WLYUNCDWSA-N	225.420	4.514	0	10	BJAE	
C[C@H]1CC[C@H](COc2cccc(Cl)c2)CC1	1989839689	RNLIHPFTZXYGOR-HAQNSBGRSA-N	238.758	4.545	0	10	BJAE	
CCCCC[C@](O)(CC)CC1(CC)CCC1	1990093061	GZKVAICYCBYQTM-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cnccc1Cl	1990097476	HMKSZULHFMEUEY-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CC(C)=CCC(=O)CC1CCC(C)(C)CC1	1993586354	CUFBDBJRMNZEFM-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)C1(C)CCCCC1	1995984792	CZPODIPBMLOPIU-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)Nc1ccccc1SC1CC1	1996548869	MWDRGSUROADOQV-GFCCVEGCSA-N	249.423	4.788	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)C1CCC(C)CC1	1996551225	ASSUUKJMAGCKEF-PWUWZPNHSA-N	239.447	4.760	0	10	BJAE	
CCN[C@H]([C@H](C)CC)[C@@H]1CCC[C@@H](CC)CC1	1997104583	KFYTUVHSNRGANV-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CC1CC(C(C)(C)C)C1)C(C)(C)C	1998242246	XOGZZFFITDOLNQ-SEEARECTSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@@H](O)[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000025588	WGRCTOUUFRIUKS-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](c1ccoc1)C(CC)(CC)CC	2000389254	BHLWFWLXUDAVBT-CQSZACIVSA-N	237.387	4.537	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC[C@@H]1CC1(C)C	2000513628	JNMAPEJONBELPM-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)[C@H]1CCCC(C)(C)C1	2002971358	BTZRTPJZRDTMHH-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(Cl)nc(-c2cc(C)c(C)cc2C)c1	2003071836	IINHHQINKFOWEH-UHFFFAOYSA-N	245.753	4.636	0	10	BJAE	
CCN[C@@H]1CCCCCCC[C@H]1C[C@H](C)CC	2003118104	QJWBAQDMLDASKY-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CO)CCCCC12CC2	2005569247	DVLUPZXJULREGE-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@H]2CCC[C@H]2C)CC1	2006770180	CVWZSHZAYWMLSJ-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)[C@H](O)[C@H](C[C@H](C)CC(C)(C)C)CC1	2006903078	XHXYBVOZTIAEEU-CQDKDKBSSA-N	238.415	4.556	0	10	BJAE	
N[C@@H](CC=C1CCCCC1)c1cccc(Cl)c1	2007934631	MGSTZUNPRJYLKL-HNNXBMFYSA-N	249.785	4.620	0	10	BJAE	
CCC1(CC)CC(O)(CCCCCC(C)C)C1	2009305720	WGKUMGWIFBLDKT-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCCCCC1CC(O)(CCCC(C)(C)C)C1	2009715579	GYUWILCMWNMQSH-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)C1=CCC(C)(C)CC1	2010722785	QVGDQVJIOPZGMV-DZGCQCFKSA-N	238.415	4.556	0	10	BJAE	
CC(C)C[C@H](N)CC1=CC[C@@H](C(C)(C)C)CC1	2010768341	ZEWXNALYIZSDBY-CABCVRRESA-N	237.431	4.523	0	10	BJAE	
c1ccc([C@H]2C[C@H]2CC2CC(=C3CC3)C2)cc1	2011087963	CHEDWQIUPHQIRL-IAGOWNOFSA-N	224.347	4.681	0	10	BJAE	
CCCCCC[C@H](N)CC1C[C@@H]2CCC[C@H]2C1	2011983363	PWXBNNIZFNRQSC-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCCCC(C)(C)Nc1snc2ccccc12	2013533778	ULTNSVDGWAXRRU-UHFFFAOYSA-N	248.395	4.677	0	10	BJAE	
CCCC1(CC2(O)CC(CC)(CC)C2)CCC1	2015642593	RWQUGCGTJWCWQY-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1(CC2CC2)CCC1	2015743446	LYLXLSPLMMINIM-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](N)(CC)CC1(C(C)(C)C)CCC1	2017139771	YZTKDNABUPSTQY-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CC1(C(C)C)CCC1	2017145927	NPTAAALZFPFAPJ-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)Cc1cccc(-c2c[nH]ccc2=S)c1	2017185492	NUMJKLCWQADDOW-UHFFFAOYSA-N	243.375	4.610	0	10	BJAE	
CCCNC[C@@H](CCC)C[C@H]1CC[C@H](C)CC1	2017722767	HQQPRLBNZGJWOL-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@H]1CCC[C@@H](C)CC1	2017742848	RGHCAEZMDCTROC-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1C[C@H]1CC[C@H](CC)CC1	2017776598	QZTPMNDGUCQMBN-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(=O)CC1(CCF)CC1)CC(C)(C)C	2018958491	WEOAADBKFZYCSS-LBPRGKRZSA-N	242.378	4.548	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@H](C)C1CC(C)C1	2019187918	GCVDYLVJTZZGBL-LVDPKSTMSA-N	239.447	4.569	0	10	BJAE	
CCCN(C1CCCCCC1)[C@@H]1CC[C@@H](C)C1	2020506554	SQUSXYMHRQZTFO-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H](N[C@H]1CCC2(CC2)C1)c1cccs1	2021786913	CKIPCCSUHGYUFO-STQMWFEESA-N	249.423	4.512	0	10	BJAE	
CCCNCC(CC)(CC)C[C@H]1C[C@H]1CCC	2022501590	JNALPXFPGHGYOI-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C)CCC[C@H]1CCCC(C)(C)C1	2024091058	FCHXDEBVADTYFS-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CC(C)(C)C1(C)C	2025022143	XUGLPYNYMVJAAG-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@]12CCC[C@H]1C2	2026166896	NDLQKPAUZSZHEM-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CN(CC1(C)CCCCC1)[C@@H]1CCC12CCCC2	2027295499	GTQJYRYWENSOGP-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@H]1CCCC2(CC2)C1	2027856056	UUQBUZRJAAKEDM-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@H]1C[C@H]1CC	2028868955	BEKUXBKFYNXNST-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C[C@H](C)C1CC1	2032165470	LKUCCQMNURDIGF-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@H]1CC12CCCC2	2036101885	VTBBGLCVJXBLKM-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CCc1ccc(C(C)C)cc1)NC	2036495569	PWQJRUALUWNMFW-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C[C@@H]2CC23CC3)CC1	2037120174	PLDZVTNILQNROQ-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@H]1CCC2(CCCC2)C1	2037674652	GUHSVHRRXULAQJ-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
CC(C)NCC1([C@@H]2CC[C@@H](C)C2)CCC=CCC1	2037698047	LHXQQPGFEGHRLP-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1CC2(CCC2)C1)CC1CCCCC1	2038167066	QUFKIRLUETZHKM-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@H]2CC23CCCCC3)C[C@H]1C	2039012622	QPNNFDBRMAAEQW-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@H]1CC12CCCCC2	2039078509	ITISMZOOPZPBGM-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](C1=CCCCC1)[C@@H]1CCCC(C)(C)CC1	2039374414	GWBDMEUPRIDIME-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@H]1CCC[C@@H](C)CC1	2039376048	QLUWMZZDKROFAD-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(C[C@@](C)(N)C23CCC(CC2)C3)CC1	2039873791	ZMIGEUKSMBCUOM-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)CNCC[C@@H](C)c1ccccc1	2040710035	BXTHQHPAOOUQQR-OAHLLOKOSA-N	247.426	4.596	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2cccc(F)c2)CC1	2041383277	MOWPTXNSGUQPMF-OLZOCXBDSA-N	248.341	4.615	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H](CC)CC1)c1ccco1	2041494770	LRMUERTYDQRVOA-KFWWJZLASA-N	249.398	4.679	0	10	BJAE	
CC(C)(C)C1CC(C[C@@]2(N)CCC23CCCC3)C1	2042997789	JBOCJIYXYDXRKN-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CCCCCC2CC2)C1	2045561461	GJRLPSBLKGXIFI-XJKSGUPXSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1C(C)=CCC[C@H]1C	2045809355	ZWJARGFDRLTZSH-BRWVUGGUSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@@H]1CC12CCCCC2	2047060866	AUOCGUAQMNRYDF-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C1CCC(CN[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2047437735	NXTKQDTUFMAGAT-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(NC[C@@]2(C)CC=CCC2)ccc1C	2047725384	BQPIZHGROHUTHP-KRWDZBQOSA-N	243.394	4.716	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2[C@H]3CCCC[C@H]32)CC1	2048468325	DUVNMBMIHQABIZ-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@H]2[C@H]3CCCCC[C@H]32)CC1	2049226228	XCEUFQOYZFBFRD-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1([C@@H]2C=CCCC2)CCCC(C)(C)C1	2049512595	UPRLSPCFIFBUJM-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C1(C2CCC2)CC1	2051909360	BWWBGYTVWWLCKS-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)[C@H]2CCCCC23CCC3)C1	2053411517	KKRVCBSECLQQDE-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCCC1)NC[C@@H]1CCCCC12CC2	2053429125	CXWGDBRLJABOHU-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@H](Nc1ccc(CF)cc1)[C@@H]1CCC[C@@H](C)C1	2055678046	LZZSTTWXGVEPRK-VNHYZAJKSA-N	249.373	4.783	0	10	BJAE	
Cc1cc(C)cc(C(=O)C2(C)CCC(C)CC2)c1	2056536866	SBVCAPIBKFIZNU-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1CC[C@@H]2C[C@@H]12)NCCC	2059247917	WMNHOXMYWZAAKI-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2C[C@H]3CC[C@H]2C3)C1	2059490390	RQNLFSRMMNLRTQ-LQWAEYHHSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)[C@@H]1CCCC[C@H]1C	2061090531	BUMSIKZCONSITP-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)CC[C@@]12CCC[C@H]1C2	2061603148	RMDWVBMGKBFNTJ-YVEFUNNKSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)CC1CC(=C2CCC2)C1	2061684572	HWTOXNNGJAXEQU-GUYCJALGSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063501590	POACAMHCLQSTLU-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
Cc1cc(F)ccc1NCC12CCC(CC1)CC2	2065301688	YLCKWNLPEDGLET-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CCCN[C@H](CC1CC1)CC12CCC(CC1)CC2	2065306911	ASXMPXHFKPRTLP-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]([C@@H]2CCC3(CCCC3)C2)N1	2066374681	BUSYKICYLZUEOK-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(NCC2(CC3CC3)CCC2)CC1	2069504773	GJKXPWSZVCVEEI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)C1(CC2CC2)CC1	2069523168	GLYSROIODLJCHM-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2071048614	CVDVPTHSUFYUDK-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CCC=Cc1ccccc1	2072769418	CUGLGHOJOVMSCV-QGZVFWFLSA-N	246.394	4.667	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@@]12CCCC[C@H]1C2	2074028180	FZRZHGIHYFZXBH-BHYGNILZSA-N	249.442	4.502	0	10	BJAE	
CN(CCC1CCCCC1)[C@@H]1CCC2(CCC2)C1	2074886558	VKCWCRDHSDMWJS-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1cc(C)cc(C)c1	2077190414	RDFMJBJUNKHMSK-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CC1(CC[C@H](N)[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079429346	WGEGQOAYSCRELU-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](NC)c1ccc(C(C)C)cc1	2079437148	ZUEFUYNSGAUAIG-IKGGRYGDSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CCC)[C@@H]1C=CCCC1	2079630080	VLCMGGGXWFKTSR-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)C=C2CCCCC2)c1	2082944816	PEDCLZAFHMJZBW-QGZVFWFLSA-N	244.378	4.536	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cccc(C(C)(C)C)c1	2083551004	TZLCVTPGBZTQGY-HNNXBMFYSA-N	248.410	4.844	0	10	BJAE	
CCCCCC[C@@](C)(O)c1scc(C)c1C	2210556031	PVVZJIWRPUUWEH-CQSZACIVSA-N	240.412	4.543	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CCCCC1CC1	2214558568	PRRGVTJZLUCBOC-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CCC[C@H]1C[C@H]1CC)NCCC	2215253729	RSBQQOVLFZWRRG-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@H](N)CC1(C)CC2(CCC2)C1	2215386378	LRKPZNHPORFMEX-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2(C)CC(C)(C)C2)C1	2215441776	ZOSMUJCAQQQPLK-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(-c2cccc(C(C)C)c2)c(C=O)s1	2215931959	SPKITRQBFQVKHM-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@H]1CC[C@H](CCC)CC1	2216282691	LHTPGLWCSQYYMM-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
c1cc(NC[C@@H]2CC[C@H]3CCCC[C@H]3C2)cs1	2216746437	DVCVTAPTWTWQEX-MCIONIFRSA-N	249.423	4.767	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C1CC(C2CC2)C1	2218732576	SCBDIZHBVKRQLP-JCYILVPMSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@@H]1CC[C@@H]1C	2220517606	BOCFKFZBMOPINZ-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H]1CCC[C@H]1C(C)C	2221937659	XEYBPVFLEKPNCG-LSDHHAIUSA-N	244.378	4.558	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CCCC2)CC12CCCC2	2223540989	DUQLBKIGQXPZNR-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CCCCC2)C=CCCC1	2223541122	FVWGIDSUIXLBJL-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC2CCC2)CCCC12CC2	2223564729	YTGHEEQOYSBKNY-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)Nc1cccc(C2CCCC2)c1	2245225317	MQRPIPUASWBXJE-GFCCVEGCSA-N	217.356	4.555	0	10	BJAE	
CC1CC(C)(CC2(CN)CCCCCCC2)C1	2246535107	FATCDOQXNZBULF-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCC[C@](O)(CC[C@@H]1CCC[C@H](C)C1)C1CC1	2246689140	GBGWYKWUNGGCMQ-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2C(=O)CCC[C@H]2C)C1	2246693522	NSPLBPNRAQFHBT-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCCCC1CC(O)(C[C@H]2CCC2(C)C)C1	2247342470	YGNNLHDQWLHBDR-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C[C@@H]1CCC1(C)C	2247372996	DMJFRAVOXJBJQD-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)CCCC(F)F	2248843282	UCDORCXIXFKKJA-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2250354740	GIEBADNUAWCSAB-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCCCC[C@@H]1C[C@H]1C	2250358711	AIAAPVGDXJLBFE-QKPAOTATSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C(=O)CCCCC[C@H]1C[C@H]1C	2250363760	BOXUJSVUJRNPHY-ILXRZTDVSA-N	238.415	4.988	0	10	BJAE	
CN[C@H](C)C[C@@H](C)CC[C@H](C)CCCC(C)C	2250485203	KKJRCOVKKZBRON-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)[C@@]1(C)C[C@H]1C	2250488670	PLYGPTFAXYIWTK-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CC(C)=CCC[C@H](N)C1CC(CC(C)(C)C)C1	2251531600	NDDCJIRMUJIFGK-NRXISQOPSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(CCC2CCC2)C1	2251660563	VQURTGLNFVJAEV-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(C2CCCCC2)C1	2251663726	DSXCVTHCDSYVRL-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@H](N)CCC1CC(C)C1	2251754615	ZDGKYRCFOVCVKY-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN1CCC12CCCCCC2	2254588300	SJCKPNZXUBQJLZ-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
C[C@H](CCCCC[C@@H]1C[C@H]1C)c1cccc(N)c1	2257323127	MOLPYUNBVZWCIM-RBSFLKMASA-N	245.410	4.979	0	10	BJAE	
CCCC1(NCC2CC3(CC(C)C3)C2)CCCC1	2259553849	KBHBKDJNGWZJID-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C1CCCCN(C[C@]23CCCC[C@H]2CC3)CCC1	2260566712	ODNBPKIELIHHPW-DLBZAZTESA-N	249.442	4.613	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2260584003	SHJSRLPMTRLAGE-AESZEHBQSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(CC(=O)C[C@@]23CCCC[C@H]2CC3)C1	2260627418	UYDVQCGWNINLEK-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(C[C@H]2CC23CCC3)C1	2261377229	CVPKKNFUAMRUEP-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC1(C)CCCCC1	2300498349	ZFEHUWRTIVCZSG-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CC[C@@H]1CNc1cc(C2CC2)ccc1Cl	2300673359	GWSCENFPPPVJAQ-ZWNOBZJWSA-N	249.785	4.675	0	10	BJAE	
CCC(CC)CCN(C)C1CCCCCCC1	2300676754	RTWVNKFIOFMRTM-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCC(CC)CC[C@@H](N)C[C@H](C)CC(C)(C)C	2300683678	MFIROMAXCYUOCW-DZGCQCFKSA-N	241.463	4.993	0	10	BJAE	
CCC(CC)CCC1(CN)CCC(CC)CC1	2300702448	XSHPYTUSWMQQCZ-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CC(=CCN[C@@]1(C)CC1(C)C)CCCC(C)C	2300865786	RPPXPAVJYXBBAO-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@@H](N)CC=C(C)CCCC(C)C	2300876665	IVTHPRLHULXUBS-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC1CCCCCC1	2301139240	DXYGERCWNDWQDP-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1cccc2ccsc12	2301827491	BRVVNKYYGSNAEN-RYUDHWBXSA-N	247.407	4.994	0	10	BJAE	
C[C@H]1[C@H](NC2CCCCCCCC2)CC1(C)C	2302134443	FREXZDIDRUSAGH-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC(C)(C)C1)C1CCCC1	2302692653	YYHIWSXMXWWXAI-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CC[C@@H]1C(C)(C)C	2303415870	HZHOJHBSZAQHCI-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H](C)c2ccc(C)s2)CC1	2303459306	QBTSDVRIDBKSTB-KBPBESRZSA-N	249.423	4.596	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303510347	HZXUVPIDWAPZFJ-IHRRRGAJSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H](CC1CC1)C1CC1	2303738804	VFVFOTCTXJNEKG-HNNXBMFYSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(CC)c1nc(C2CC3(CC3)C2)cs1	2304403685	SYMGWGGXFASNAO-UHFFFAOYSA-N	249.423	4.878	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cccc(C(C)C)c1F	2307561653	UDWVYJBHZURIQL-NWDGAFQWSA-N	237.362	4.796	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1(C(C)(C)C)CCC1	2307910135	XJASYPNYTXQCNH-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@@H](N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2308400562	MVAUIEFSYOJPEG-QSJFSLAZSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CC[C@@H]3C[C@H]23)CC1	2310925103	MHSOFYDIGVBBDN-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@@H]1CC)CC1=CCCCC1	2312457380	ZYXCYXSHYXKJJN-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
C[C@]1(C(=O)C(CC2CC2)CC2CC2)C=CCCC1	2313623702	JWTPCKXFZNJKLU-KRWDZBQOSA-N	246.394	4.518	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@H]1C[C@H]1C1CCCCCC1	2313705815	WXBSVHPLZHYNEY-KCXAZCMYSA-N	248.410	4.598	0	10	BJAE	
CCc1cc([C@@H](O)C(C(C)C)C(C)C)ccc1C	2314701702	FIWUQJPQFKLAGQ-QGZVFWFLSA-N	248.410	4.519	0	10	BJAE	
CCC1=CCC[C@@]1(N)CC=C(C)CCCC(C)C	2316503523	PWNCRJZRSBFIIW-QGZVFWFLSA-N	249.442	4.977	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1cccc2ccccc12	2316504228	SZYJKPPEAMJTDM-QGZVFWFLSA-N	240.346	4.620	0	10	BJAE	
CC[C@H](Nc1cc(F)ccc1C(C)C)[C@H]1C[C@H]1C	2317934846	WIJVHTDTWMPAOH-UGFHNGPFSA-N	249.373	4.796	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N1CCC[C@@H]1c1ccccc1	2318006575	ABXDMVFARLZLRK-ZMSDIMECSA-N	245.410	4.504	0	10	BJAE	
CN(CCCC1=CCCCC1)C[C@@H]1CCC1(C)C	2318578188	KXIQGFZEQWWJOG-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
C[C@H]1CCC[C@@H]1CN(C)CCCC1=CCCCC1	2318581215	UIDBISHYULAARV-DOTOQJQBSA-N	249.442	4.635	0	10	BJAE	
Cc1ccc(F)cc1OCCCC1=CCCCC1	2318598058	PLWMGFTYYQAMOP-UHFFFAOYSA-N	248.341	4.794	0	10	BJAE	
CCc1cccc(C)c1NCCCC[C@H]1C[C@H]1C	2318881174	WVSXGDWEMVGZGC-ZBFHGGJFSA-N	245.410	4.796	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C[C@H]1CC[C@H]1C1CC1	2319578621	KDXFUIZZHSDQGQ-UNEWFSDZSA-N	246.394	4.518	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H]2CCC(C)=C(C)C2)o1	2320421970	DYNYUEHDHQGDQN-CYBMUJFWSA-N	246.350	4.551	0	10	BJAE	
CC(C)c1cccc([C@H](O)CCCC2CCC2)c1	2320514059	LSQWFOAHCZYFQI-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)[C@@H](CC2CC2)C2CC2)CC1	2320778791	JBTATJUOJQIUBK-DOTOQJQBSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)CCC=CCCC2)C1	2321639826	OSVPYVJYQXCPQL-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@@H]2CCC2(C)C)c1	2327683274	YELUXEGJHDYMKR-HNNXBMFYSA-N	244.378	4.737	0	10	BJAE	
CCC1CCC(Nc2cc(C)ccc2C)CC1	19232827	DVTGZZOIIKXZMF-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)CCCC(C)C	21008765	LEPBSWMUPVAJLK-HUUCEWRRSA-N	227.436	4.760	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)CCc1ccccc1	21031190	IMVWBBMFHDECAZ-CVEARBPZSA-N	247.426	4.566	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H](C)c1ccccc1	21048727	OWNCYOCMPRBHKC-LBPRGKRZSA-N	245.753	4.822	0	10	BJAE	
c1ccc(-c2ccc(-c3cccs3)o2)cc1	34557491	IWNCCHVBVWVTOK-UHFFFAOYSA-N	226.300	4.675	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@@H](O)C1CCCC1	36171579	YQYFZLTWXYPBPM-INIZCTEOSA-N	246.394	4.516	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CC)c1ccccc1	36792443	XODMGODKZIVQEI-HOCLYGCPSA-N	233.399	4.696	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)c1ccc(C)o1	50328687	TWSDQELTYMWTPO-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
CCCC[C@H](CC)CCC(=O)C(C)(C)C	71083851	MIRBEFDXRDVMIU-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H]1CCC[C@H](CC)C1	71155695	GFFUIFSXEZGXAG-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
CCC[C@](O)(c1ccccc1)C1CCC(C)CC1	85077281	VPEWDOMOJVLICZ-PREGVCBESA-N	246.394	4.501	0	10	BJAE	
CCCCCC[C@@H](O)C1CCC(CCC)CC1	87961080	NLYSOSVBCOAZIX-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
CCCNC[C@@H](CCC(C)C)c1ccccc1C	93106809	ZLIFQCWMLFECPU-MRXNPFEDSA-N	247.426	4.514	0	10	BJAE	
O[C@H](CC1CCCCC1)c1cccc(C2CC2)c1	94522796	JRFAXBMUCVNEKV-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCOc1cc(C)ccc1N[C@H](C)CCC(C)C	109909204	QASCVJMHJIXVBG-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C)CC[C@@H]1NCCC	110446000	INNGTFYBIYQIKH-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C[C@H](C)CC)NCCC	124820968	GXRYNKVVSQIUBR-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
c1csc(-c2nccn2C2CCCCCC2)c1	129213264	BXQMTUGCSVAQFZ-UHFFFAOYSA-N	246.379	4.507	0	10	BJAE	
CC[C@@H]1CC[C@H](c2ncc(C(C)C)s2)C1	132169380	HYRIIIAGUGGKOA-MNOVXSKESA-N	223.385	4.560	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@H]1NC1CCCCCC1	155837693	LDHWBTKPVSLIQL-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C1(C)CCCC1	162208983	FYAMJPQGKJKXRK-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCc1cccc(-c2cc(Cl)ccc2N)c1	166076725	AMHYBVOTPNMVDI-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
CCN[C@@H](CC(C)C)c1ccccc1C1CCC1	169026878	FYYSCLKFKOMXBD-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@@H]1CCC[C@@H](C)C1	229459079	RGRSGRNFFIKDJI-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](O)(C2CCCCC2)C1	230784152	MMWRDHHARWZHIT-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(c2c[nH]c3ccccc23)CC1	232833450	KJCXNPLHXNCALV-UHFFFAOYSA-N	227.351	4.852	0	10	BJAE	
CCCCCC[C@@H](NC)C1=CCCCCCC1	232963805	QLCMPOANVOXLMX-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc(O[C@@H](C)CC)c1	233284562	GAAOUKHRYLDTPT-UONOGXRCSA-N	249.398	4.855	0	10	BJAE	
CCC[C@H](CC)N[C@H](CC)C1CCCCC1	233347576	OKRYWFIKJUAEJS-LSDHHAIUSA-N	225.420	4.514	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2cccc(Cl)c2)C1	235717627	JQXCUTHUMPCSPV-DGCLKSJQSA-N	249.785	4.744	0	10	BJAE	
Fc1cccc2c(C3CCCCCC3)c[nH]c12	236161688	HLNJBFLIDXYWDJ-UHFFFAOYSA-N	231.314	4.745	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)C[C@H]1CCCC(C)C	250774447	HQVZVTSZQNKWSE-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1c2ccccc2[C@@H](CC(C)C)[C@H]1C	250880890	UZRNJHDHYRBASR-COXVUDFISA-N	245.410	4.507	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C[C@H](C)CC(C)(C)C	253015598	AFVKIXGYUPGQAF-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(N[C@@H](CCC(C)C)C2CC2)c1F	302495958	KAJITUUHGHIOAJ-AWEZNQCLSA-N	249.373	4.761	0	10	BJAE	
Clc1ccc2c(ccn2[C@H]2C=CCCC2)c1	303730652	AMHIFFVHYJUSBH-ZDUSSCGKSA-N	231.726	4.576	0	10	BJAE	
CCCCCC[C@H](NCC)c1cc(C)c(C)o1	305934715	ABAVXPMQJDYCJC-AWEZNQCLSA-N	237.387	4.517	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CCCC(C)C	308024140	MCLFIWQEUFNOFM-HUUCEWRRSA-N	228.420	4.636	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@@H](CC)CC(C)C	308099454	QOIBYZXKFAOXBC-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](Nc1ccccc1C(C)C)C1CC1	310207366	FFFGTKYBJYEOBI-HNNXBMFYSA-N	231.383	4.801	0	10	BJAE	
C[C@@H]1CC(C(=O)C(C)(C)C(C)(C)C)C[C@@H](C)C1	310465230	GNETZFGRCCDULA-RYUDHWBXSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](O)C1=CCCCCCC1	310528315	XSNRYUQQIKVQAS-INIZCTEOSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H](C)C1(CNC2CC2)CCCCCCC1	318435808	QZBDPVWVWAMVKQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)[C@H](C)[C@@H](C)CC	318889550	NVSRQICTVGDWEC-UXLLHSPISA-N	247.426	4.718	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@H](C)C1CCCCC1	379945616	YVVUJAMUJKZMAM-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC1([C@H](O)C[C@H]2CCC[C@H](C)C2)CCCC1	382507095	VTXJYSYWRVBPEN-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc([C@H](O)CCCCCC(C)C)c1	383138032	LVWHJLUKNHZELT-MRXNPFEDSA-N	234.383	4.635	0	10	BJAE	
Cc1csc(C(=O)CCCCCC(C)C)c1	383218828	DUYPIKFOXXFLSP-UHFFFAOYSA-N	238.396	4.846	0	10	BJAE	
C[C@@H]1C[C@H](CCC2CCCC2)c2ccccc2N1	385317778	HPIRQLZJCXBEIE-HIFRSBDPSA-N	243.394	4.945	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccsc2Cl)CC1	387177172	CPIHLPYFHYZABZ-VHSXEESVSA-N	243.803	4.782	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1C[C@H]1CC(C)C	387981310	IEHRSAJCPUOVQA-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
Clc1sccc1N[C@H]1CCCC12CCC2	394768587	KMUOVOQNVKRFFG-JTQLQIEISA-N	241.787	4.536	0	10	BJAE	
CCOc1ccc(Cl)c2sc(CC)cc12	396185206	DFFMXIBWDXJUFV-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1cccc2c(CC)c(Cl)sc12	396193130	SFLRZBNYMYCEJL-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1c(S)c(C(F)(F)F)cc2sccc12	396291404	BRNGFLMZJHUZJN-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@H](Nc1c(C)cccc1F)[C@H]1CC1(C)C	397828011	WKXJFAMAVYTYAB-OCCSQVGLSA-N	249.373	4.761	0	10	BJAE	
CCCC1CCC(C(=O)CCC2CCC2)CC1	398623835	LFWYVEUMFYHYQB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccc3c(c2)CCCC3)C1	404627016	DKRWBLBLMMKKNT-XJKSGUPXSA-N	243.394	4.556	0	10	BJAE	
CCN[C@H](CCC(C)(C)C1CC1)C(C)(C)CC	405779774	CBYFGNDXICMEDC-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(CNc2ccc(C3CCC3)cc2)CC1	687530346	POVZSLZNEROBJR-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1CCC(C)(C)C1	689750745	AQLBJNOLPZFHNS-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)CC1CCCC1	689832580	SGRATMSOBPSKLW-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1Nc1cccc(F)c1	691107362	WWJQQDUXFUUBHA-CVEARBPZSA-N	249.373	4.843	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H](C)CC(C)(C)C	691155061	SPJXQIQSRPJMNY-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CCCC2(CC2)C1	695710772	UWMTUZGQUONDJV-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCCC[C@H]2C2CC2)c1	696108150	YMBJWIXOLAXHKE-HOTGVXAUSA-N	247.357	4.515	0	10	BJAE	
CCC(C)(C)CCC(=O)c1c(C)oc(C)c1C	696546054	NFMLYXXOGLCDLY-UHFFFAOYSA-N	236.355	4.604	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc2ccccc2c1	697192578	CKKBMNAXHXXGPI-UHFFFAOYSA-N	240.346	4.849	0	10	BJAE	
CCCc1ccccc1OCC1(C)CCCC1	703874478	KGMZXNBWHZIEDA-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
C[C@@H](CC(=O)C1CC2(CCC2)C1)CC(C)(C)C	709213831	SKKONDQOLJOQSO-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)CC(C)(C)CC	710249726	YKALDXDWUXQVJO-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(C)cc(CNCCCCCC(C)C)c1	710492215	NADKEEVWZYXKPP-UHFFFAOYSA-N	247.426	4.609	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@H](C)C(C)(C)C	711223769	HSZGWFTXLOVBCS-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@@](C)(CC)CNC(C)(C)C	713246215	VTAMZGJFMGTDKD-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC(C)(C)C(C)C)C1	713303768	CIXHNMMTENFEAU-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C\CCC(C)(C)[C@@H]1CC[C@H](C)CC1=O	713632195	HZZJXTXRFIXMAX-LAYDCRAFSA-N	234.383	4.540	0	10	BJAE	
C=C/C=C\CCc1cc2cc(Cl)ccc2o1	713636817	ZRHUZCFLWOVINP-ARJAWSKDSA-N	232.710	4.761	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@H]1CCC12CCCC2	717502216	NGCKJFCCPOQINT-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)C1CCC(C)(C)CC1	718695452	VMBBKTHJBVTEDM-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CCCC(C)(C)CC1	718695766	XJGZGMRKPNXJOO-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CNC[C@@]1(CCC2CCCC2)CCC=CCCC1	718996102	IZBWNLXSXRHLRY-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H](C)CCNC1CCCCCCC1	1660600818	CLVUZXGKJNVYJI-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](C)N[C@@H](C)CCC1CC1	1664418999	DBLZFPAWSPCHPL-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](CC1CC1)NCC1(C)CCC2(CC1)CC2	1875731184	CJEUCLAAWNKWBZ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CCC(=O)[C@]1(C)C=CCCC1	1900700768	JWOUUHQWFQBQFO-OAHLLOKOSA-N	222.372	4.518	0	10	BJAE	
CCC(CC)CCC(=O)C1(C)CCCCC1	1900715277	BBDNMHZCZBICTF-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC(C)=CC[C@@H](NC)C(CC)(CC)CC	1900849791	QKNPHMAVHGDYQS-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC(=CC[C@H](N)CC(C)C)CCCC(C)C	1900859721	VSHKUPSZLSDDDM-HNNXBMFYSA-N	225.420	4.523	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1ccc(F)cc1Cl	1901627896	VOTXSCXYQHHOSZ-UWVGGRQHSA-N	243.753	4.572	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1cccc(Cl)c1F	1901708957	LHVRXSPYMDSJOT-NXEZZACHSA-N	243.753	4.572	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CC)CNC(C)(C)C	1905368267	GLVUAUDFAIIAEC-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1ccccc1Cl	1905393481	VISCXWLRDXZXGG-FZMZJTMJSA-N	240.774	4.590	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1(CCC)CCC1	1905435379	QKUITHDTGWBHSS-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCC[C@H](O)C[C@@]12CCC[C@@H]1C2	1908404575	HBQNUZPDQAZVFP-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCSc1cccc(NC[C@@H]2C[C@H]2C(C)C)c1	1910738723	CDBYIVVNACIPFI-WFASDCNBSA-N	249.423	4.503	0	10	BJAE	
CC(C)NCCC=CC[C@H](C)C1CCCCC1	1911862514	BYGIMLRRLXDYAT-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CN[C@H]1CCCCCCCC[C@@H]1CCC(C)C	1913392825	OBEPDDTYOUHYHU-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](N[C@H]1CCC2(CCCC2)C1)C1CCCC1	1916400293	OSQNYWWBKRCCMB-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@](O)(CC)C1=CCCCCCC1	1919529129	ZSLUSZFDRKXMDZ-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CCCc1cccc([C@](O)(CC)C[C@@H](C)CC)c1	1919971004	WHRXDYKCDULSQS-YOEHRIQHSA-N	248.410	4.673	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C1CC(C(C)C)C1	1921106410	AWJFNMUDLUXXMC-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCC[C@@H]1C=CCCCC1)c1ccccc1	1925946047	PXCXFDKXBIIFFG-WBVHZDCISA-N	243.394	4.603	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCC[C@H](C(C)C)C1	1926159556	MFZJCWUSIWJSPB-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](N)C1=CCCCCC1	1941271426	DKRXEGQWFBANFK-JKSUJKDBSA-N	237.431	4.523	0	10	BJAE	
CC[C@](C)(CNC(C)C)CC1CCC=CCC1	1941794385	UFFGIXBYNQIDPJ-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)[C@H](C)CC	1941819128	SAKKBBWGCVBAJY-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)[C@H](C)CCC(C)C	1942655952	LDYPLJNYTNKETB-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](NC)[C@@H](C)CCC(C)C	1942664816	ULRBJZSUBOVILM-XHSDSOJGSA-N	241.463	4.719	0	10	BJAE	
CCSc1cccc(NC[C@H]2CCC[C@H]2C)c1	1944842310	IXWPGMFQKZJOHN-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
CCC(F)(F)CCC(=O)[C@H](CC(C)C)C(C)C	1947992183	ARJXBJOZQSJDPX-GFCCVEGCSA-N	248.357	4.699	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)NC1CCCCCCC1	1948328314	UEBWHHCGYYHJEB-LSDHHAIUSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](C(CC)CC)C1CC(C)(CC)C1	1948412403	FCGNBPUJTBEYNB-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCC[C@@H](O)CC1CCCCC1	1949923055	OUZLBDOWNAIHKG-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@H](C)CC[C@H](O)CC1CCCCC1	1949926077	IDURGJHXISMHLY-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCSc1ccccc1NC[C@H]1C=CCCC1	1950968563	LRIJGEDSEROKCP-ZDUSSCGKSA-N	247.407	4.567	0	10	BJAE	
CCC(CC)[C@H](C)NCC[C@@H]1CCC[C@@H](C)C1	1963157252	PVSPIEUPMJEOBR-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)CC2CCCC2)C1	1963183311	UTJHBHDVTWDKSF-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(NC2CCC3(CCC3)CC2)cc1C	1968254240	DEVPEKAQFPFNLX-UHFFFAOYSA-N	243.394	4.828	0	10	BJAE	
Cc1ccc(OC[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1C	1968307668	NSJLTTXGBOERHY-VIKVFOODSA-N	246.394	4.755	0	10	BJAE	
CCCC(CCC)NCc1c(C)cc(C)cc1C	1968665659	OVEXVXOEGRJVNF-UHFFFAOYSA-N	247.426	4.670	0	10	BJAE	
C[C@H]1CCC[C@H](CNc2ccccc2C2CC2)C1	1969416598	JSJATPUUEXIYSO-KBPBESRZSA-N	243.394	4.802	0	10	BJAE	
CCCCN(C[C@@H](C)C(C)(C)C)[C@@H](C)CC	1978896865	UINDZBOKCNVVCY-KGLIPLIRSA-N	227.436	4.569	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)CCC)CC1	1980314837	NLFVOLWCJZXDPB-HDJSIYSDSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)C1(C)CCCCCCC1	1981415769	INYSFBXZKSPBOW-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](CC(=O)CCCCSC)C(C)(C)C	1981576297	IHOXRKBBAQPJHW-LBPRGKRZSA-N	244.444	4.551	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccccc1Cl	1986949445	YIXJCSXFOFRSQD-LBPRGKRZSA-N	239.790	4.967	0	10	BJAE	
CCCC1(CC(=O)[C@@H](CC)C(C)C)CCC1	1988432370	DUOJAMGZUJZDNJ-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCCC)C(C)=C(C)C	1989667258	SYTNYFYMSNSZIB-HIFRSBDPSA-N	225.420	4.537	0	10	BJAE	
CCCC1(C[C@](C)(N)CCC(C)(C)C)CC1	1990637918	NMJLLLMVEALOKN-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1c(C)cccc1C	1995630200	DMHWOUDKNMRETB-CABCVRRESA-N	231.383	4.684	0	10	BJAE	
CC(C)C[C@@H](C)CC1(N)CC(C)(C)C(C)(C)C1	1997766698	OHQHSXCSWOKCKG-CYBMUJFWSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC(CC(=O)CCC2CCC2)CC1	1998035948	BOSONXJFSIVACI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CC(CC(=O)CCC2CCC2)C[C@@H](C)C1	1998047297	JFXJEEMEDQFAGW-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](NC)C1CC(C(C)(C)C)C1	1998235816	BLVAATSRIOYLAE-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C[C@H]1CCC12CCC2)NCCC	2001858767	FYROUGUDDMQKBG-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCCN[C@@H](C)[C@H]1CCCC(C)(C)C1	2003014114	KSWXSIIOXWVIDG-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN[C@H](C)[C@H]1CCC[C@@H](C)C1	2003019856	XXUKZGPASCIXRN-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CC1(CC(=O)CCC[C@@H]2CC2(C)C)CCCC1	2003179460	ONCHMNOJLDPRNN-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC1CCC(C)(C(=O)CCC2CCCC2)CC1	2007683512	PYOSPFQRYYRWOM-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(CC)NCc1ccc2sccc2c1	2008093640	ULXJGBZUGQXUBP-UHFFFAOYSA-N	247.407	4.570	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC[C@@H]1CNC(C)(C)C	2009612051	QMCNLVXFZFYCOA-XEVLESSRSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H](O)C1=CC[C@H](C(C)C)CC1	2010716009	CXWITUCYDWPDPU-GOEBONIOSA-N	238.415	4.556	0	10	BJAE	
CCCC(CCC)[C@H](N)CC[C@@]12CCC[C@H]1C2	2011012790	ZIESDDLLAUKQIH-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)C1C[C@H]2CCC[C@@H]2C1	2011994883	FVVAPVJCPRELRD-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CC3(CC3)C2)c(Cl)c1	2012407545	CBCRUTSHPRMIML-LLVKDONJSA-N	249.785	4.639	0	10	BJAE	
CC[C@H](CCC(C)C)NCCC1(C)CCCC1	2013262331	AUZIYLNCODKVEQ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)[C@@H]1CCC1(C)C	2014936794	GULDLAPQTHBEMX-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CCCC(CCC)C(=O)CC1C[C@H]2CC[C@@H]2C1	2015197879	RWLZNFOSNKTPMJ-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@@H](N)CCC(C(C)C)C(C)C)CC1	2015359810	YIFAXYVXQDQIFQ-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[C@@H](C)C(C)C	2015400787	QSOBTTANDKBCPO-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCCC1(C[C@H](O)C2(CCC)CCC2)CCC1	2015639587	IHEBSAVNSYUFGU-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CC1(C(C)C)CCC1	2017122064	WTIFTCHNRJANTI-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)C(=O)CC1(C(C)C)CCC1	2017127159	KTBHTUYLOGUVOO-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C[C@@H](C[C@H]1CC[C@H](C)CC1)c1cccc(N)c1	2017734171	AVNVJKSZFLTCPI-IHRRRGAJSA-N	231.383	4.589	0	10	BJAE	
CCCCC[C@@](O)(CC)C1=CCCCCCC1	2018130507	JHCVFYVKKKLRPU-INIZCTEOSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCC2(CC2)C1	2018138152	CLSNMSDXIYHJSZ-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCC1(C[C@H](C[C@H](C)CC(C)(C)C)NC)CC1	2018990612	NPKKTDDCCKDLIN-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@H](C)CC(C)(C)C)C1	2019199255	DBMQQJXXYJROQD-KFWWJZLASA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H]1CCC[C@@H](CC)C1	2020964266	GHOTZQOMJWGDKT-KBMXLJTQSA-N	237.431	4.537	0	10	BJAE	
CCCc1cc2cccc(C3CC3)c2nc1Cl	2021028050	LCRSSJRDDPSMBL-UHFFFAOYSA-N	245.753	4.718	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1C[C@@H]1C(C)(C)C	2022557525	OXOFHKJNLNSUND-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)[C@H]1C=CCC1	2023257442	MJAYUAQOSZHPRX-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1CC(CC)C1	2023327276	KCJBYXLOMYSXTE-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](C[C@@H]1CCCC(C)(C)C1)NC	2024100344	BUFDTONUXXOWBH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H]1[C@@H](C)CCC[C@@H]1NCCC	2024517429	RMAMAEYMGCHWIE-VTTDZUNHSA-N	237.431	4.537	0	10	BJAE	
CCc1ccc(CC)c(C(=O)CCC2(C)CC2)c1	2027733426	YAOBUYWXXIJMJX-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1ccccc1C1CC1	2028559803	KCIKUGFIMCMQKP-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)c1ccccc1C1CC1	2028602078	DZBPYGHHPAMADF-MLGOLLRUSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)CCCCCC1CC1	2028626218	RCMAXQHAXNOCEA-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@@]12CCCC[C@H]1C2	2028629865	XARQGDZKFLUDLK-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CNCC1CCC=CCC1)C1CCCC1	2028901159	XJAAXGIIQYZEDQ-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)C(C)(C)C(C)C)c1C	2032272665	ONDGJMRLUCLDFX-INIZCTEOSA-N	248.410	4.636	0	10	BJAE	
CCC[C@H]1CCC[C@H]1N[C@H](C)c1ccc(C)cc1	2035425386	SKAMKCMOKFWQQO-HYVNUMGLSA-N	245.410	4.614	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1c(C)cccc1CC	2035425896	TZLPVNXTCNSEEY-CVEARBPZSA-N	245.410	4.938	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC[C@@H]1C=CCCC1	2035569741	UJJNJKAFEUHWOZ-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCC1(C[C@](N)(CC)c2ccc(C)cc2)CCC1	2037102948	HNXCKODCSBGWEZ-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
OC1(CCCC=Cc2ccccc2)CCCCC1	2038184506	BAFRNLHMHCSFPG-UHFFFAOYSA-N	244.378	4.565	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@@H]1CC12CCCCC2	2039007423	YNTOAVJMOFVCNX-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](O)[C@@H]2CCCC(C)(C)CC2)c1	2039385030	KWVRSYGUPFTYGA-GDBMZVCRSA-N	246.394	4.635	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)C[C@@H]1CCC[C@H](C)C1	2039433989	GJUUNWVDQDKRCT-WSOGKROESA-N	249.442	4.523	0	10	BJAE	
CN[C@H]1C[C@@H](C2(C)CCCCC2)C12CCCCC2	2039843463	JVRULLBXAGEYCP-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](N[C@H](C)CC2=CCCCC2)CC[C@H]1C	2043195145	RRGLOBIWFXFEPE-JYYAWHABSA-N	249.442	4.680	0	10	BJAE	
Cc1c(F)cccc1C(=O)[C@@H]1CCCC(C)(C)C1	2045457776	NSFNBXYQVVVTKY-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCCC(C)(C)C2)c(F)c1	2045460810	SXDABADIBAQGJA-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
C[C@H]1C[C@H](CC2(CF)CCC2)c2ccccc2N1	2046908083	IYRIASQYWBTFQS-QWHCGFSZSA-N	247.357	4.504	0	10	BJAE	
C[C@@H]1CC[C@H]([C@]2(N)CCCCC23CCCCC3)C1	2047555957	BYCHDLMRVPIQIS-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1[C@H]2CCCCC[C@H]21)C1CC1	2048367670	BNDCKVBXUGHNFV-FOLVSLTJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)[C@@H]1[C@H]2CCCCC[C@H]21	2049217932	LHBLAPYBZCOENY-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CCC1)[C@@]1(C)C=CCC1	2049991478	HTJAPZQFYILIOL-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@]1(C)C=CCCC1	2049999545	DTKSJCZTHDOIIA-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1cc(F)ccc1C	2051407512	YYBBYOQSAKXSTL-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
Cc1ccccc1C(=O)C1(C)CCC2(CC2)CC1	2056540107	VHPYDPDQRGMMFA-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CCC1CC(C[C@]2(N)CC[C@H]3CCCC[C@H]3C2)C1	2056641097	VYCMAZBFLJWJSF-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC1CC(C2CC2)C1	2056650498	HIDAPRJTPKKRSO-BDVYOWHSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2CC(C3CCC3)C2)C1	2056685209	MLKYVMPYGMDVIH-NFOMZHRRSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCC1CC1)C[C@@H]1CCC[C@@H]2C[C@H]12	2057354553	QLZXGWFAFVQQHL-ZMSDIMECSA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1=CCCCC1)C1(C2CC2)CCCC1	2057606957	RCPKOWFVHIIVSI-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CC[C@@H](C)c2ccccc21	2059223607	PLYHRESNOHZMAN-LMIZRQEKSA-N	244.378	4.518	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1ccc(C)cc1F	2059257323	WOHQQLGFMGQRQI-MQDFFIGUSA-N	249.373	4.531	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)CC1CC(=C2CCC2)C1	2061733366	DJJLNGMKAPBXRN-MLGOLLRUSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C1CC(=C2CCC2)C1)[C@@H](C)C(C)C	2061740878	DWCFWVHJTMBTPO-GUYCJALGSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CC(N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063495958	GIIWNGVCYJARSJ-QKDCVEJESA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@@]3(C)C[C@@H]23)cc1	2065657423	MWPZLMJTQJSHGV-UXLLHSPISA-N	243.394	4.585	0	10	BJAE	
C[C@]12CC[C@H](NC3CCCCCCCCC3)[C@H]1C2	2065665737	XBGWPTOQXBUXPK-IXDOHACOSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1C[C@@H]1CC1(N)CCC2(CCCCCC2)CC1	2065896143	CNQWXQKIIJBXMM-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]1CN[C@H]1CCCCC12CCCC2	2068241505	DDEUNODRBMCREX-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)C2CC(CC3CC3)C2)CCC1	2069341946	KBPATOHTYFYLKS-UYSNPLJNSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(CCC)CCC1)[C@@]12CC[C@H]1C2	2069342294	NIDYHDBKGTYVNU-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)C1(CC(C)C)CC1	2069513222	KIYZJBOOUXDPBN-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C1(CC2CCC2)CC1	2069566222	IKAKJBVVBQFZML-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)C[C@@]23CCC[C@@H]2C3)CCC1	2071949302	IYVOYBPGNJKNCK-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1C)C[C@H]1C=CCCCC1	2072074710	CPMITNNVRSAJLB-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H]2CC23CCC3)CC1	2072681886	OCMOKGCENQXDFD-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCCC1CCC(CC2(N)C[C@@H]3CC[C@H]3C2)CC1	2072800479	DSTKCBGIIKFGTG-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@](O)(CC)c1cccc(C(C)C)c1	2073341331	JVQVEFZUJLMHJT-KRWDZBQOSA-N	248.410	4.988	0	10	BJAE	
CCCC1(C[C@@H](NC)C23CCCC2CCC3)CC1	2074651380	AEXHUVWZXUVGAE-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCCN([C@H]2C=CCCCCC2)CC1	2074797353	PUZWZWVHVHMBCF-SJORKVTESA-N	249.442	4.778	0	10	BJAE	
CC(C)CCN(C1CC1)[C@@H]1CCC12CCCCC2	2075013093	PDZQIEPSQVSPHU-MRXNPFEDSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2CCC=CCCC2)C1=O	2076449525	GVLUQHGOXRHKPB-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CCCCc1ccc([C@@H]2CCC(=O)[C@@H]2CC)cc1	2077923082	JLKOWSDCGAQCFS-CVEARBPZSA-N	244.378	4.502	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@@H]1CCC)c1ccccc1	2079632942	KYGKAVCGZMGVAI-GVDBMIGSSA-N	245.410	4.554	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2C[C@@H]2C2CCCC2)c1	2079802756	LCWQUTHQOLRIIM-NVXWUHKLSA-N	244.378	4.509	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)CC1CC2(CCC2)C1	2079842554	ONKRRBFZCSKRMP-UKRRQHHQSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@H]2C2CCCC2)CC1	2079852183	PCLSZTUSCHVHAB-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1CC(CC)C1)C1=CC[C@@H](C)CC1	2085000281	FYPWRLZAKQTWKJ-ARAOSMHQSA-N	249.442	4.537	0	10	BJAE	
c1cc(C2CC2)ccc1-c1ccc2c(c1)CCCN2	2088996541	ALWUNQLMGFXVCB-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)C(C)(C)CCC	2212117206	NRSGXCTUGMENDD-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
c1cc(NCCCCCCCC2CC2)cs1	2212464831	XGUYGDMDNQPQJO-UHFFFAOYSA-N	237.412	4.911	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CCCCCCC1CC1	2213576093	MFSVOJUCSUYJKJ-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
C[C@]1(CCCCCCC2CC2)CCC[C@@]1(C)O	2213576562	REROIHNEXFMZLN-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC[C@@H](N)CC1CCCCC1	2215243913	GDJAPHOOSAVZOH-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2(C)CC(C)(C)C2)C1	2215432874	NBZWFFUDAXRJSG-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@H]2CCC[C@H](C)C2)CC1	2215823344	HVTVGYBVHPGIFL-DZKIICNBSA-N	234.383	4.518	0	10	BJAE	
N[C@H]1CCCC[C@@H]1CCCCCCCC1CC1	2216879790	NFQPEQWCQMCPKY-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@@H]1CCC(C)(C)C1	2217151921	ZUTIRJHVMCJYOG-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H](CNC1CCC1)C(C)(C)C	2217155768	FNCIUZQQIMGQDP-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218330698	BFLRGKIJDLALTO-NCOADZHNSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CC1	2218385621	NNTPHZYPWVMIDK-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H](N)C2(C)CC3(CCC3)C2)CCC1	2221006598	MIXVEELQOYOPNW-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC1(CN[C@@]2(C)CCCC2(C)C)CC2(CCC2)C1	2221016447	OEDLJZSLINAPLS-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CCC(C)(C)C)Nc1ncccc1C1CC1	2221398813	VOIMKEUCWQENBQ-LBPRGKRZSA-N	246.398	4.586	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@H](C(C)(C)C)C2)CC=CC1	2222262509	DZJPTIBNADZURG-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1	2222955876	XLJPRIGCCCAWAA-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@@H]1CC12CCC2	2223131879	CRTOYJXKKPIDOT-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCCC(C)C)[C@H](C)c1ccc(C)cc1	2223963803	MOWOGUIQUZPYHM-WBVHZDCISA-N	247.426	4.513	0	10	BJAE	
CC(C)c1ccccc1CC1=CCCCC1	2243244782	DNKDNDYWCVNZJC-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CCCc1ccc(CCC2=CCCC2)cc1	2243549925	RBPUAZWGEHPBKD-UHFFFAOYSA-N	214.352	4.682	0	10	BJAE	
CC(C)CCC[C@H](N)CC1CC2(CCCC2)C1	2246761318	NRQRTAWRYPZGMR-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@](O)(CCCCC[C@@H]2C[C@H]2C)C1	2248871778	QTTZXLZLQBGGHD-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1CC(C(C)(C)C)C1	2250355578	LQXFOWGRSXMEDX-HXSCFSKGSA-N	239.447	4.602	0	10	BJAE	
CCNC[C@H](C)CCC[C@@H](C)CCCC(C)C	2250468939	JOFPHUZIJIXGPQ-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(N)CCC1(C)C	2250476909	RHHMMEGBWZDIAG-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCCCNC1	2250515751	BYSJRPQZIPBVSI-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CC1CC(C)(C[C@@H]2C[C@H](C)Nc3ccccc32)C1	2253752912	OTMOZQKHELXLAE-CWVKQELPSA-N	243.394	4.801	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCCCC12CC2)CC1CC1	2253812117	PECXERDMWZPJNB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCC1)NCC[C@@H]1CCCCC12CC2	2253883255	HTTQGRDDCFEKKY-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCCC[C@H]1C[C@H]1C	2254576390	GUSBZIOQPBHMPS-DMRKSPOLSA-N	249.442	4.523	0	10	BJAE	
C[C@H](C(=O)CCCC[C@@H]1C[C@H]1C)c1ccccc1	2254603831	FELJZFUNQVFFLZ-IJEWVQPXSA-N	244.378	4.576	0	10	BJAE	
Cc1cccc(F)c1NCC[C@H]1CCCC12CC2	2255276483	AFMMREDCDKYUSL-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CCc1cccc(F)c1NC1[C@@H](C)CCC[C@@H]1C	2256140456	AMOFKLPQEOYPRY-RYUDHWBXSA-N	249.373	4.625	0	10	BJAE	
C[C@H](N[C@@H]1CCCC(C)(C)CC1)[C@H]1CC12CCC2	2256448935	UUDFTZNJIZTSFH-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CCCOc1cccc(NC[C@H](CC)CCC)c1	2259466088	YQEHDKQRPPQAEC-CQSZACIVSA-N	249.398	4.714	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@@]12CCCC[C@@H]1CC2	2260485890	HQSDQVRPBFILSR-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC([C@](C)(N)C[C@@]23CCCC[C@@H]2CC3)C1	2260680100	VTVAGWSBKZLKPK-XYPHTWIQSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(NCC2CC(CC(C)(C)C)C2)c1	2261190691	DXYIOVQQPPOEAG-UHFFFAOYSA-N	245.410	4.869	0	10	BJAE	
C[C@@H](N[C@H]1CC(C)(C)CCC1(C)C)c1ccoc1	2261402802	OPWUYAZFLQICQG-OCCSQVGLSA-N	249.398	4.535	0	10	BJAE	
CC=CCP(C(C)(C)C)C(C)(C)C	2297622362	UOOODANZONJOKI-UHFFFAOYSA-N	200.306	4.641	0	10	BJAE	
C(=Cc1ccccc1)CC[C@@H]1C[C@@H]2CC[C@H]1C2	2298437554	QNNQZLRTKXNSEA-BBWFWOEESA-N	226.363	4.916	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CC(C)=C[C@@H](C)C1	2300690324	HQFFYYOKDDJMLD-WQVCFCJDSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)CC[C@H]1CCNC2(CCCC2)C1	2300700305	LDSNEEYLOJBDOY-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCNC[C@H](CCC(CC)CC)C1CCCC1	2300700643	MZCKDUVPSXWHIP-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@@](N)(CCC(C)C)C1CC1	2300704465	RNMDDYGKGJYEBC-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCC(C)=CC[C@@H]1CCCCCCCC[C@@H]1N	2300900174	VNXPYJACAJENFE-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
CC(=CC[C@@]1(O)C=C(C)CC1)CCCC(C)C	2300910709	BWPVQMOPKYSERQ-INIZCTEOSA-N	236.399	4.620	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CC=C(C)CC)[C@@H]1C	2300925532	DCFTYQUZQIRHSO-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)C[C@H]1CC=C(C)CC	2300926384	LJLVTNQRYLZHCP-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)CC1CCCCCC1	2301240820	DGLZRZYSFRUVEY-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CC[C@@H](N)c1cc(C2CC2)ccc1Cl	2301333471	NRMQBNVQGJPLBI-OAHLLOKOSA-N	249.785	4.574	0	10	BJAE	
CC(C)C[C@H](CNC(C)C)[C@H](C)[C@@H](C)C(C)C	2301830522	XVAKHPMWOFZZPT-ARFHVFGLSA-N	241.463	4.575	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H](C)[C@@H](C)C(C)C	2301836778	OWEGLSDKYUCKLR-FXUDXRNXSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CCCC[C@]1(N)CCCC1=CCCCC1	2302359770	UVQGZUDDSQCZIV-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
O[C@@H]1CCCCC[C@@H]1CCCC1=CCCCC1	2302361209	JYPNIUXNOMCWAE-HZPDHXFCSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(CC(=O)CCCCC2CC2)CCC1	2302575144	UIYLPWPICREOEP-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CC(C)(C)CCC2=O)C1	2302878902	UVUYRLXHLNURHQ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](O)CCC2(C)CC2)C1	2304431161	HVRPXYKCTIKREM-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(CC)CNC1CCC1	2307847524	XJRONZUXKRMEIR-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CNC(C)C)C1CCC1	2307928573	MYUHJDKDTXURKJ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1CCCCC1)[C@@]12CC[C@@H]1C2	2308555832	QVUTUISSESBRHG-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H]1CCC[C@@H]2C[C@H]12	2308614930	CMXVVMQUEHATCI-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C[C@@]12CCC[C@@H]1C2	2312332642	JFLAKPTWARLTAO-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1CCC[C@@H]2C[C@H]12	2312996061	SHEDVLRLOIGFDA-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)N1CCCC12CCCCCC2	2313654596	KZCJTOVHTHYSFY-HNNXBMFYSA-N	249.442	4.754	0	10	BJAE	
CCC(CC)CCN1CC[C@H](C)c2ccccc21	2316263148	AWPQDZPSKWLWER-AWEZNQCLSA-N	245.410	4.827	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2316509083	GDHWMKOZKPKWHQ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](NC)c1ccc(F)cc1C1CC1	2317104641	ZCSHVIURANMCDG-MRXNPFEDSA-N	249.373	4.544	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@H]2C=C[C@H]1CCC2)C(C)(C)C	2317119479	SZXBYISCVUMDOD-AIANPOQGSA-N	249.442	4.523	0	10	BJAE	
COc1cccc2c1ccn2[C@@H](C)[C@@H](C)C(C)C	2317827933	ORGLIFCRCUUTPQ-STQMWFEESA-N	245.366	4.503	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Cc1ccc2c(c1)CCCN2	2317835914	SCETZKZYQZXDNJ-KGLIPLIRSA-N	245.410	4.515	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@H]1C=CCCC1	2317927639	LBBNPSYVVYPGTP-CYBMUJFWSA-N	247.357	4.717	0	10	BJAE	
CCC1CC(C[C@H](N)CCCC2=CCCCC2)C1	2318599549	XWLBLEKFKXWPPI-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)CCCCC2CC2)CC1	2318874702	FITXHWUIZHJCNY-WBVHZDCISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H](C[C@](C)(F)c2cccc(N)c2)C1	2319114096	QFMKPLDBZBXFBD-WBMJQRKESA-N	249.373	4.670	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCCC[C@@H]3C[C@@H]32)CC1	2319257960	GMXXTTWHRLRIRR-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2320175113	UCSROYZPZBUKFM-WBOJAVRRSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(NC[C@@H]2CC[C@H]2C(C)(C)C)cc1	2320239309	CNRPSUSXZBRUNN-GOEBONIOSA-N	245.410	4.733	0	10	BJAE	
CC1=C(C)C[C@@H](NC[C@@H]2CC[C@H]2C(C)(C)C)CC1	2320372968	MHFMUPDLMDXMAC-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCN(C[C@H]2CCC(C)=C(C)C2)CC1	2320388774	TZXUYFSCUSSTKZ-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCCCC23CC3)CC1	2320389330	ZEBAKLVAONDCGC-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CCCC(N)(CCC)Cc1cccc(C(C)C)c1	2320660224	OMSSBUWAXAAIGY-UHFFFAOYSA-N	247.426	4.650	0	10	BJAE	
CC1(C)CCCC[C@]1(C)N[C@@H](CC1CC1)C1CC1	2320708055	LCYYTSCIUDKWTI-RDJZCZTQSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)CC[C@H]2C[C@H]2C)c1	2327783046	YAJQQCSMGXQEEW-JKIFEVAISA-N	246.394	4.588	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1CCc2ccccc21	2328098076	RQJAOUGCMMDHTD-CZUORRHYSA-N	244.378	4.502	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccc(Cl)cc1Cl	20556499	YVYCCKZWSHGOEK-BDAKNGLRSA-N	246.181	4.840	0	10	BJAE	
CC[C@@H](Nc1cc(C)cc(C)c1)c1cccs1	21059340	QBWPIQCXNLDXEE-CQSZACIVSA-N	245.391	4.928	0	10	BJAE	
[N-]=[N+]=Nc1cccc2c(N=C=S)cccc12	31425126	SDAGQISKSVNUAS-UHFFFAOYSA-N	226.264	4.516	0	10	BJAE	
CCCN[C@H](c1cc(C)ccc1C)[C@@H](C)CCC	35581596	XKOYXLXSSQXGQC-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](c1ccc(CC)cc1)C(CC)CC	35582691	YKVOHNRNHNZSHF-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCCCc1ccc(N[C@H](C)C2(C)CC2)cc1	36984373	ZUCSCMQSQWUZGO-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CC(C)[C@@H](Nc1ccc(F)cc1)c1ccccc1	37210683	WZGOKGSYFPNPPK-MRXNPFEDSA-N	243.325	4.635	0	10	BJAE	
CC(=O)c1ccc(C2CCCCC2)cc1Cl	78964187	DTXXMZPTQRKOPJ-UHFFFAOYSA-N	236.742	4.590	0	10	BJAE	
Cc1cc(Cl)cc(C)c1NCc1ccccc1	83374654	NTVMOHNODGWDPV-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CC(C)C[C@H](N[C@@H]1CC[C@H](C)C1)c1ccccc1	83828873	GCWCGLRZHMHQDM-UAGQMJEPSA-N	245.410	4.552	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CCC(C)(C)C)CC1	87187324	XNTXWHNLDWRGKI-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1sc(C)cc1C	88047390	KNQFQLVKLOFGBV-OLZOCXBDSA-N	239.428	4.581	0	10	BJAE	
CCC[C@H](C)C[C@H](CNC(C)C)c1ccccc1	88098500	QLHRFABNFZERST-DOTOQJQBSA-N	247.426	4.595	0	10	BJAE	
CCCCCC1CCC(C(=O)CCCl)CC1	101225465	BILYETIGBOAVKX-UHFFFAOYSA-N	244.806	4.571	0	10	BJAE	
C/C=C\[C@@H](C)Cc1cc(C)c(C)cc1Cl	107565704	QYQYJAQTPMJANY-WWQCOOJYSA-N	222.759	4.712	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@H]1CC(C)C	109665131	GDVOUUOJMOQUFK-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](N[C@@H](C)[C@@H](C)CC)c1ccccc1	109927539	QYJCBYWAGPAUQX-ZOBUZTSGSA-N	247.426	4.942	0	10	BJAE	
CCc1ccc([C@H](C)N[C@@H](C)C(CC)CC)cc1	111665715	AQQNQYYPTHNJRC-KBPBESRZSA-N	247.426	4.724	0	10	BJAE	
C[C@H]1Cc2[nH]c(C3CCCCCC3)nc2[C@H](C)C1	122406462	ZWAFPBLYUJXSTN-VXGBXAGGSA-N	246.398	4.533	0	10	BJAE	
CCCCC[C@@H](C[C@H](C)CC(C)(C)C)NC	125422887	FVQOXLBLMLIZMQ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C(C)(C)CC	126145453	AQIMFXOMMHXXEE-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CN[C@@H](c1ccccc1C1CCC1)[C@@H](C)C(C)C	132598182	MZQNROPCBWCIJP-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CCCCOc1ccc(N[C@@H](C)CCCC)cc1	142788014	SJFMQHBBYUWSFA-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CC[C@@H](N[C@H](C)C1CCCCCC1)c1ccco1	149919078	AHVNCSWZESVYAB-UKRRQHHQSA-N	249.398	4.679	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC(C)(C)C[C@@H]2C)c(C)c1	155797521	MBMULGCWHKZBKB-GOEBONIOSA-N	245.410	4.930	0	10	BJAE	
CCCc1ccc(-c2ccc(O)c(Cl)c2)cc1	156715826	CPFRPBUCAZCXMP-UHFFFAOYSA-N	246.737	4.665	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H](C)c2ccco2)CC1	160761303	SHXOAGWOUCSOAA-RBSFLKMASA-N	249.398	4.535	0	10	BJAE	
Clc1ccc(CC/C=C/c2ccccc2)cc1	162710873	RZHUSQZGHBYAGY-XBXARRHUSA-N	242.749	4.986	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)(C)C)C1CCCC1	167514699	FZZXBFONJIWSCC-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	222543200	GNTWBPDZZLJZSE-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1ccc(C)s1	228743169	BEORJDNPCHWMPZ-STQMWFEESA-N	239.428	4.663	0	10	BJAE	
Cc1cccc([C@@H](N)C2(CC(C)C)CCCC2)c1	229298441	PNOQSJRQVSSEGN-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CN[C@H](CC1CCCCC1)C1=CCCCCCC1	234472929	ZBIPJPMYPKGWOY-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]([C@@H]1CNc2ccc(Cl)cc21)C(C)(C)C	235281810	UFLLJYJZFWTBPT-CABZTGNLSA-N	237.774	4.531	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC[C@H](C)CC1	253108773	CKTXWCCRYLWFBL-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
C[C@H]1CC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	253123714	KCJFEERYDPAGFZ-QUSNUVHPSA-N	249.442	4.514	0	10	BJAE	
c1ccc([C@H]2CCCN2)c(C2CCCCCC2)c1	258227392	FLDIJVGXWWAZEX-QGZVFWFLSA-N	243.394	4.549	0	10	BJAE	
CC(C)C[C@@H](C)Cn1ccc2ccc(Cl)cc21	302355598	NHLPVWZYSPIYCO-GFCCVEGCSA-N	249.785	4.977	0	10	BJAE	
C[C@@H]1CC[C@@](O)(CCC2CCCCC2)[C@H](C)C1	305897168	OINNLTLSPWLHJX-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)CNc1ccccc1C(C)C	305930366	JQCPUUCUCCQSDO-AWEZNQCLSA-N	233.399	4.904	0	10	BJAE	
C[C@@H](CC(=O)CC1(C)CCCC1)C(C)(C)C	309422418	WWSWPSWWFQHEAA-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CCC[C@H](C)C1	309454770	PIWMJDIJBACJJX-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)C1(C)CCCCC1	310152907	PNVXOWCSUXTRMX-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCCCF)C(CCC)CCC	310193187	ATENDHHCACIELE-OAHLLOKOSA-N	245.426	4.711	0	10	BJAE	
C[C@@H](CC[C@@H](O)C1CCCC1)C1CCCCC1	310369730	XKHIFZAZYCYYGG-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1	315165091	MERUXCCZTWMRIL-YHUYYLMFSA-N	243.394	4.540	0	10	BJAE	
C[C@H](CC(C)(C)CNC(C)(C)C)c1ccccc1	318124058	QUDABWPTBDEVSJ-CQSZACIVSA-N	247.426	4.595	0	10	BJAE	
CC(C)CCC[C@@]1(CNC(C)C)CC[C@@H](C)C1	318136525	XYASKTWWLSEMNH-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C)[C@H](C)[C@H](C)CC	320075315	NSDFKGHNGWXEBL-UNEWFSDZSA-N	247.426	4.636	0	10	BJAE	
CCCC[C@@H](CC/C=C\c1ccccc1)NCC	324345311	YQCZNOCEHVTNDX-GQPJMJRUSA-N	245.410	4.648	0	10	BJAE	
CCC(C)(C)[C@H](CCCCCC(C)C)NC	383255303	KXLWAGMZHAATSY-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC1CCC(C)CC1	383526684	PRZSDLBBESKPHY-CKUJCDMFSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc([C@@H](O)CC2CCC(C)CC2)c(C)c1	385200561	SQDKBLNNENIFLS-QOJXUVEWSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc(C(=O)CCC2=CCCCC2)c(F)c1	385705328	LLZVDTASVUDWSP-UHFFFAOYSA-N	246.325	4.597	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CC12CCCCC2	387073847	ZIJSLYSBUNWDGL-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1CC12CCCCC2	387097850	GSOFUHNNUOQKEY-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](O)CCC1CCCCC1	395023112	NUTVMRJLMHNGNX-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC/C(=C\C(CC)(CC)CC)CNC(C)(C)C	395111106	BTBFDCUOASYWEG-WYMLVPIESA-N	239.447	4.927	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H](C)c1ccccc1	395166829	PHNBJYKYTICYHB-AWEZNQCLSA-N	246.394	4.966	0	10	BJAE	
CC[C@@H](N[C@@H](C)CCC1CC1)c1ccc(C)cc1	398049156	VIFDALNEKXXSQS-WMLDXEAASA-N	245.410	4.614	0	10	BJAE	
CCNC[C@H]1CCC(C)(C)C[C@H]1CC1=CCCC1	400602495	CYTSLZRIUVZABY-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC=CCC1)C(C)(C)CC	402118370	APCWOTLYLXCWOF-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1	403666019	UHLNZXYVKRLIEQ-VHDGCEQUSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@H](C)NCC(C)(C)CC(F)F	694001440	PDEKSDQLQVPDDL-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
Fc1ccc(Cl)cc1CC1CCCCC1	694974060	GOGXGSLSFNREHU-UHFFFAOYSA-N	226.722	4.602	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H]1C[C@@H]1C(C)(C)C	699804568	XXWFVADUQBBBMC-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]([C@H](C)CCC)C(C)(CC)CC	701244669	SQPQGOIEVKQZLO-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCCC[C@H]1C1CC1	704491503	MVEVZKDQRDBMBG-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(O)([C@H]2CCCC[C@@H]2C)CC1	704797446	GDDYHGNGAAOEEZ-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCCN[C@H]1CCCC12CC2	706543642	IPPQMPRQTYFEBV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1(COc2cccc3sccc23)CCC1	707632355	MGSWVMNTIKEDQM-UHFFFAOYSA-N	246.375	4.860	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](N)(CC)C1CCCC1	707636924	OTYFRTFBARILCB-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CC(C)CNCC[C@@H](C)C[C@@H](C)CC(C)(C)C	709080532	OMNMCQAUGKSJHP-HUUCEWRRSA-N	241.463	4.721	0	10	BJAE	
Cc1ccc([C@@](C)(N)C[C@H](C)CC(C)(C)C)cc1	709148069	TTWYTMYNZABSNG-PBHICJAKSA-N	247.426	4.631	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(N)CCC2(CC1)CC2	709170093	VXXPGDODIVXEIH-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
Cc1ccccc1[C@@H](C)NC[C@H](C)CC(C)(C)C	709186847	JGLMYKAFLGTFFS-UKRRQHHQSA-N	247.426	4.718	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)C[C@@H](C)C(C)(C)C	710724031	LZFPOLDIHSSRNU-WWGRRREGSA-N	239.447	4.602	0	10	BJAE	
CC(C)CNC[C@@H](C[C@H](C)C(C)(C)C)C(C)C	711171989	HMYAZSBSEJHGFY-LSDHHAIUSA-N	241.463	4.577	0	10	BJAE	
CC[C@H](C[C@@H](O)c1ccsc1C)C(C)(C)C	711182514	XUXGNANQLRIVKI-DGCLKSJQSA-N	240.412	4.552	0	10	BJAE	
CC[C@H](C[C@@H](N)C[C@@H]1CC=CCC1)C(C)(C)C	711199316	RVZTZQRLZSVVNL-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(O)CC1(C)CCCC1	713030851	LIDNPEPSSAZKDV-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C(C)(C)C(C)(C)C	713126752	QYJYGAQBPFHZTN-ZDUSSCGKSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)c1ccc(C2CC2)cc1	713168786	AYRYZAILYYPXIV-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC(C)(C)C)NCCC	713209545	CLULLLRWTBTVDI-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C=C/C=C/CC[C@H](N)c1ccc(C(C)(C)C)cc1	713736736	FTSWWKVLRVWGJJ-MOEXGYKKSA-N	243.394	4.506	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)C[C@H]1N)CC(C)(C)C	717530070	UQZVUAKUQCXZRT-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCCC(C)(F)F)NC	718721998	LHYGFWXLJSRLPZ-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](C(=O)CCC(C)=C(C)C)c1ccccc1	718741162	XBCSPHWSXVUKPR-MRXNPFEDSA-N	244.378	4.886	0	10	BJAE	
CCNC[C@@]1(CCC(C)C)CCC=CCCC1	719090542	UHKYTFUWOQJTCP-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC[C@@](N)(CCC(C)(C)C)CC1CCCCC1	720357842	JGLRFXHULLGYCE-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCc1ccccc1CSC[C@H](C)CC	1643785067	FPLPYOKMQCNPQL-GFCCVEGCSA-N	222.397	4.528	0	10	BJAE	
CCC(CC)CC[C@H](O)c1sc(C)cc1C	1900696269	KHQZDIAKPIGELF-ZDUSSCGKSA-N	240.412	4.615	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1(C)CCCCC1	1905435043	OLLXAUQQXFRDOX-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@](C)(O)CC[C@@]12CCC[C@@H]1C2	1908411985	WFDCLTNGAGKACW-OWCLPIDISA-N	238.415	4.678	0	10	BJAE	
CC[C@](C)(O)CC[C@@H]1C[C@H]1C1CCCCCC1	1910762390	JSOLXYOGXWMKMH-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC=CC[C@@H](C)c1ccc(SCC)cc1	1911875318	DKGWXSXPMSWAIP-GFCCVEGCSA-N	220.381	4.868	0	10	BJAE	
C[C@H](C[C@@H](N)C1CC2(CCCCC2)C1)C1CCC1	1912606742	KMSSAUJXCVNFSE-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCCCCCCC[C@H]1O	1913404722	PFABMHYPQNDBTE-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CCc1ccc([C@](O)(CC)CC(C)(C)CC)cc1	1919592558	OCRNVNQUIJQVJF-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCCCCC[C@@](C)(N)c1cc(C)c(C)cc1C	1920184518	FRARKTKYFTUGNG-QGZVFWFLSA-N	247.426	4.756	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1920196247	HMOZXFKFGMHELP-RBZJEDDUSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)[C@](C)(N)c1ccc(C(C)(C)C)cc1	1920460364	IQFODDNHFOJBBC-GUYCJALGSA-N	247.426	4.594	0	10	BJAE	
CC(=C(F)F)c1ccc(-c2ccccc2)cc1	1927578319	GWSKLAHTHJBTPD-UHFFFAOYSA-N	230.257	4.981	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCC(C)(CC)CC	1936271331	PGYYRLOUQXQEJN-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1csc(CC)c1	1936755796	CXXPVONLGWSGHD-FZMZJTMJSA-N	240.412	4.560	0	10	BJAE	
CCCCCC[C@]1(CO)CCC[C@H](C)CC1	1939901066	XZXWVIKNSPMQSF-GJZGRUSLSA-N	226.404	4.536	0	10	BJAE	
CC[C@](C)(CNC(C)C)CC1(C)CCCCC1	1940405242	GEDDHCNHWFZFGX-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)C)[C@H](CC)C(C)C	1941271429	DLFSXRXKXIERIF-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CCCCCC2CC2)[C@H](C)C1	1941592228	RWPSKQKJFSDHIB-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@](C)(N)c1csc2ccccc12	1945617620	RQIQNMRBHPQZBY-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CC[C@H](C)CCN[C@@H]1CCCC2(CCCC2)C1	1946449314	JMGWQUKDAPHBOI-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CCC1=CCCCC1	1949043190	LQFIDBJFXAJMHB-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCN[C@H]1C[C@H](C(C)(CC)CC)CCC1(C)C	1949663503	XEHBPZPQYUFYCT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CC)CC1CCCC1	1949870300	OJNXVZPGFRPHOF-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC(CCC2(O)CCCCC2)C[C@H](C)C1	1949937314	OFGAPIMIIDUURZ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NC2CC3(CC3)C2)CC1	1962812209	LPJVAGHBHXEXER-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2CCCC(C)(C)C2)c1	1968307036	CJVLNELXBCCKLY-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC3(CCC3)C2)cc1F	1968320840	RSTQJCLEJKDIPM-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1CC[C@H](C)C1	1968602315	IXVMZQKGBATRED-ZFWWWQNUSA-N	245.410	4.967	0	10	BJAE	
C[C@H]1CCC[C@H](CN2CCCCC23CCCC3)C1	1969767352	KRVYUFUQWDWDQL-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	1970664644	LASRDKPMVPYBQG-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1NC1CC2(CCCCC2)C1	1972429192	YEYYHQHJINLLOY-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C(=O)C[C@H]1CCC=CCCC1	1978272507	KFZFRMIYAHHTMF-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCC(CC)C[C@H](NC)C(CC)(CC)CC	1978524742	JUHYYOPIZMEAEW-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
FC(F)c1ccc(C[C@@H]2C=CCCCC2)o1	1979633218	PMPMBECEGLDVBR-SNVBAGLBSA-N	226.266	4.506	0	10	BJAE	
CC[C@@H](CNc1cc(F)cc(Cl)c1)C(C)C	1988765870	XOBHFVZMKNLOFD-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@H](CC)C(C)C	1988778242	MAEGZLMTAZTHLU-RBSFLKMASA-N	227.436	4.602	0	10	BJAE	
CCCC[C@@H](CC)N(C)C1CCCCCC1	1990127987	UBRHGTKUEMPFPD-CQSZACIVSA-N	225.420	4.610	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)[C@@H](C)CCC(C)C	1990904791	XQZWZBKURBHEDX-KBPBESRZSA-N	227.436	4.568	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC1(CC)CC1	1995261388	DQGPKGDMYUOKQC-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@@H](C)CCC	1995262464	NMDZGSAYAJHTHB-SOUVJXGZSA-N	227.436	4.747	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@H]2CCC2(C)C)n1	1995460913	DNGRNPNRXHBEOK-ZYHUDNBSSA-N	237.412	4.635	0	10	BJAE	
C[C@H](CN(C)C1CCCCCC1)CC(C)(C)C	1995781382	LEQHEXMLDZMNLZ-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@H]1CC[C@@H](C)C1	1996267947	JMSBVCSGMGIHJK-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@@](C)(N)CCC1CC1)C1CCCCC1	1996363502	ARKFJHZDJSYLMP-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)C1CCC(C)CC1	1996555108	QDVOGCPYACDBPD-JWMHWRSXSA-N	239.447	4.617	0	10	BJAE	
CCC/C=C/CNC[C@@H]1CCC[C@@H](CC)CC1	1997215833	RBWIVUCAIGUEKE-YCZSJOHXSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)CC1=CCCCC1	1998381383	WCGOTALOYBURTJ-GDBMZVCRSA-N	237.431	4.824	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CCCC1(C)CC1	2000296335	RCDLMVJMDOVAPH-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@@H]1C=CCCC1	2000504008	CWRVCNOJNWFZMY-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@@H](C)C1CC1	2000516006	UPJOBGQHVVFPTB-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
Cc1sccc1C(=O)C[C@@H]1CC12CCCCC2	2001254050	LHRPRAUYDJMGLO-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H]1CC12CCCCC2	2001259111	LCQMVOXVBKKLKX-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C2CC(CC)C2)CC1	2002305780	ICGZDLQMOIBELM-GYTBAZASSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@@H](C)CC(C)(C)C	2002515940	NBNNOBZGDCQBDZ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]1CCCCCCC[C@@H]1CCC(C)C	2003120065	XVNQCUBMAYHYOI-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CCCC2(CC2)C1	2003218142	PDQDMDOEZPINSL-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2003218218	PNRULVDLQVXYMC-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CN)CCCCC12CCC2	2005600843	JWTXQLNFEQBCII-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C=CCCC1(C)C	2006900317	DNCDKBFAUMRLKI-LSDHHAIUSA-N	237.431	4.680	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)C1(C)CCC(C)(C)CC1	2007693512	GCCLNAUONYMPPT-IHRRRGAJSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@@H](C)CCC	2007942586	KHXZCOGLURQEQH-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1[C@@H](CCCCCC(C)C)CC[C@@H]1NC	2009249726	RXDKSQPFBKGDBQ-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCC[C@@H](C(C)C)CC1	2009572823	PAZCLWQVUMNWGC-FZZYSBJUSA-N	237.431	4.667	0	10	BJAE	
C=C=CCCC[C@@H](NCC)c1ccc(Cl)cc1	2010987680	IPKMIODALYKOEJ-OAHLLOKOSA-N	249.785	4.502	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC[C@@]12CCC[C@H]1C2	2011002062	PEIZNKSNXFGOSU-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CCCc1ccccc1-c1cscc1C(C)=O	2013668807	XZAPEELNSBJHKV-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CC(C)C(CN(C)C1(C)CCCCC1)C(C)C	2015333723	CYNUQUAMYXWSJI-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CC[C@](O)(CCC(C(C)C)C(C)C)C1	2015334348	GDRHJBOBHXONSL-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(N[C@@H]2CCC3CC2C3)c(C)cc1Cl	2015648224	NWGUCDWLPUNTDS-ORHYLEIMSA-N	249.785	4.557	0	10	BJAE	
CCCCCC[C@@H](NCC)C1(CC(C)C)CC1	2015750485	UVLXHNRMKGFAOE-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1(CC2CCC2)CC1	2015796250	IEYDBWAOZZBHMV-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)c1csc2ccccc12	2016440701	ASSTWARLGWNEGO-BMIGLBTASA-N	244.359	4.520	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1(C(C)(F)F)CCC1	2016739491	ZTOPTZUAUDRHGJ-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCC1(NCC2(C(C)(C)C)CCC2)CCC1	2017145998	ODXLAXHCIPRJAQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC)C[C@H]1CC[C@H](C)CC1	2017725682	UEDDDZZAZYSGGQ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](CC)c1occc1C	2018082974	MMUOERGFSCORAY-ZIAGYGMSSA-N	237.387	4.598	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H]1CCCC1(C)C	2018129828	LHSDLJBPEVKSTH-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H]1[C@@H](CC(CC)CC)CCCC1(C)C	2020361456	PVHUZINUTVBNIN-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](CCCCCC2CC2)C1=O	2020393860	WFDOZGXYLRUELW-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CC(=O)CCC1(F)CCC1)CC(C)(C)C	2025235785	GDMFVGWYGACONU-LBPRGKRZSA-N	242.378	4.690	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@H]1CCCC[C@H]1C	2026167319	QJQSCWAPPFZVBN-FZKCQIBNSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C[C@H](O)Cc1ccccc1C(C)C	2027463892	UPICBENWJJLDRY-OAHLLOKOSA-N	248.410	4.540	0	10	BJAE	
CCCCc1ccc([C@@H](N)CCC2(C)CC2)cc1	2027731634	FXRUWUXRIWZUGM-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CC(=C1CCC(C(C)(C)C)CC1)[C@H]1CCCCN1	2028115570	QPUFWLLVJHXWOS-OEMAIJDKSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)c1ccccc1C(C)C	2028253359	WAXNTCIIAXUUCS-RDJZCZTQSA-N	247.426	4.882	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)CC1CCC=CCC1	2028872864	OCCYWHDHVIXZQY-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@](C)(N)c1ccc(C2CCCC2)cc1	2031752690	QPNCUKPUINFECR-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC(C)NC[C@@]1(CC2=CCCC2)CCCC1(C)C	2032107822	ANKDZZZPNWVTEE-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C[C@@H](C)C1CC1	2032165467	LKUCCQMNURDIGF-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC1(CC2(N)CC(C3CCCC3)C2)CCCCC1	2033783173	OWKWGZZNUWZPSQ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
O=C1[C@H]([C@@H]2C=CCCCCC2)C[C@H]2CCCC[C@@H]12	2034266217	XBMAKBULIUTJMK-FPCVCCKLSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CC[C@@H](C)C1	2035601839	QIMWRKUFADZJCY-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
N[C@]1(C2=CCCCCCC2)CCCCC12CCC2	2037073747	NHOMJGLBCKDSLB-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1cc(C)c(C)cc1C	2037137678	WNIGFXAZHXFRBW-MRXNPFEDSA-N	247.426	4.828	0	10	BJAE	
CC(C)C[C@H]1CCCN1[C@H]1CCC2(CCCC2)C1	2037672902	QUWZEZOKLSBYMK-CVEARBPZSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C23CCC(CC2)C3(C)C)C1	2037682562	MYYNRKRQUBMISY-POZPTJLLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC23CCCCC3)c(F)c1	2039049936	DEJSIDVOUHOWOA-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
Cc1cccc(N[C@H](C)C2CCC(C)CC2)c1F	2040633339	NVABRXYWJVXHQZ-HRDQMINSSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CC1)[C@@]1(C)CC=CCC1	2042020705	ZRMNUEJFJPOXTB-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)[C@@]1(C)CC1(C)C	2045326986	RWHVICJPSKDCRG-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C(=O)c2cccc(C(C)C)c2)CCC1	2045567061	YQORYKSSXHPZKM-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCC12CCC2)C1CCCCC1	2047963169	VYTFCTTUZNUWOR-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)c(C)c1	2049537972	WCCNXYPWKGEHKJ-DAXOMENPSA-N	245.410	4.930	0	10	BJAE	
Cc1cccc(C2(O)CCCCCCCC2)c1C	2049698564	VDDFNRYBSNCBCZ-UHFFFAOYSA-N	246.394	4.625	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2CCCC3(CC3)C2)C=CCCC1	2049999395	CDNYKZWSWMPVFM-ZBFHGGJFSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)[C@]1(C)C=CCC1	2050004125	VKSHEKYGFDVGEP-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@]1(C)C=CCC1	2050009249	XRVWWZNVIYDEMX-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)C1(C2CCC2)CC1	2051907341	FPIKIJDKDJJGNA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(CCCC(=O)[C@H]2CCCCC23CCC3)CC1	2053362029	YRTAOPRUVKOTDQ-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@H]1C=CCCC1(C)C	2055545250	UGQBXDPFPFVCAA-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)C1(C)C(C)(C)C1(C)C	2056872622	FQPUFVPUWCMIGJ-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@H]1CCC2(CC2)C1	2059179710	DKMRWJGNMVGWIH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@]1(CNCCC)CCCC12CC2	2059252503	IVHDYQSQFGKAGA-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C1=CC[C@H](C)CC1	2060922424	RMLKAWRTWGQDBY-SUMWQHHRSA-N	244.378	4.590	0	10	BJAE	
CC[C@@H]1CC=C(C2(N)CCCCCCCC2)CC1	2061116019	MBQDLMKSLCIJFU-OAHLLOKOSA-N	249.442	4.955	0	10	BJAE	
CC1(C)CCC([C@H](N)CC[C@]23CCC[C@@H]2C3)CC1	2061573845	BDHAZDNXAJYALT-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC([C@@H](N)CC[C@]23CCC[C@H]2C3)CC1	2061600559	BDHAZDNXAJYALT-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)CC1CC(=C2CCC2)C1	2061687900	JRRUHWFGSKLYNM-IRXDYDNUSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2CC(=C3CCC3)C2)C1	2061701664	MOMWMTQAAGVFCG-SWLSCSKDSA-N	246.394	4.662	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)CC12CCC(CC1)C2	2065281232	DCOVTJRFUOJTLM-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068769845	OITIGYKUVFUQQK-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C[C@H]1CC12CCC2	2069196361	HFNHQJPPOFXGTQ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C[C@@]1(N)CCCCC12CCCCC2	2070960641	XQVQQIUVWUBVKM-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@H]2[C@H]3CCCC[C@H]32)CCC1	2071925572	GCPHMNYMXQYKOP-AGGWBTHJSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(CN[C@H]2C=CCCCCC2)CCC1	2071934664	XFZXATAAOAUXQX-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC[C@H]1C[C@@H]1C)c1cccc(C(C)C)c1	2072090768	KTVKQLSRBJHWQP-JLJPHGGASA-N	245.410	4.507	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)c1ccc(C2CCC2)cc1	2072094116	HPDWKWJQFTUIKN-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)c1ccc(C2CCC2)cc1	2072767993	NRKKHKVVKGWSTK-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC(C)=C[C@@H]2N)CC1	2072801384	NNCGYKPHWFADSL-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](CC)CC1)c1ccoc1	2072804716	VOQSQNVNESIJGL-IIAWOOMASA-N	249.398	4.537	0	10	BJAE	
C[C@H]1CCC[C@@]1(C)Nc1ccc2ccccc2c1	2073008731	OANFCJRPNPTVIQ-SUMWQHHRSA-N	239.362	4.830	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@]23CCCC[C@@H]2C3)CC1	2074089571	DQWSVQWDDRNNDJ-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@@H]2CCNC3(CCCC3)C2)CC1	2074139031	OHGUWLZGOZYRRC-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@]2(C)C=CCCC2)CC1	2074653071	KHVYPSPHUJPRPL-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCC23CCCCCC3)C1	2074893123	RQCADPPCMMQSRB-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
CN(C1CCC2(CCCC2)CC1)[C@@H]1C=CCCC1	2075081942	JSVSWLKEGVAPML-OAHLLOKOSA-N	247.426	4.530	0	10	BJAE	
CCC[C@H]1CC[C@H](CN2C3CCC2(C)CC3)CC1	2075339944	YVSJPIRFZWLSPV-OJHJNGDYSA-N	249.442	4.610	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H](C)C2CCC2)cc1C	2075824282	RRPQYCUMSSZWGA-CYBMUJFWSA-N	244.378	4.621	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)[C@H]1C[C@@H]1CC	2079222024	UEEVYFNERSFAJW-JQFCIGGWSA-N	245.410	4.507	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1ccc(C(C)(C)C)cc1	2079654960	FLXAYFGNANQODK-KGLIPLIRSA-N	245.410	4.832	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@@H]2C2CCCCC2)CCC1	2079831248	IOLHXGPMQGREAW-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1C[C@@H]1c1ccccc1	2079841714	KJFWRUSYGBNLIO-HUUCEWRRSA-N	244.378	4.576	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@@H]2C2CCCCCC2)CCC1	2079852548	REOYODPULBBJAF-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CC[C@](CNC(C)(C)C)([C@H]2C=CCC2)C1	2081681824	HGVGXFYPSRXVOI-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](NC2CC3(CCCCC3)C2)C1	2085244275	IGLHKCTYUCOMAC-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)([C@H]2CCC3(CCCC3)C2)C1	2085321146	PJCNYAIHSWDOTM-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
Cc1sc(C(=O)C[C@@H](C)C(C)C)c(C)c1C	2211701599	BRPCTMJGZJQZLD-SECBINFHSA-N	238.396	4.538	0	10	BJAE	
CCCC1(CN[C@@H](C)CC)CCCCCC1	2212591311	CIGABYHAQFIJRT-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
C[C@H]([C@H](N)CCCCCCC1CC1)C(C)(C)C	2213572947	BVIZTABIKGIOMT-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](O)CCCCCCC1CC1	2213581412	WGANHJNIYBEESS-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1ccccc1C(C)C	2215310328	CYAMMNPJMFVZJT-ZIAGYGMSSA-N	231.383	4.658	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CC1(C)CC(C)(C)C1	2215461460	RVVJIOAUEYFVLX-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@H](C(C)(C)C)C1)C(C)(C)C	2216257874	NMPIDWIDTMIICS-MELADBBJSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C(C)(C)CCC	2216286200	RZYVUCGELCGMDP-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H](C)C1CC=CC1	2217243274	WSIHGTTVGFJZDG-LLVKDONJSA-N	249.785	4.669	0	10	BJAE	
CC(C)=CC[C@H]1CCCN(CCCC2(C)CC2)C1	2218145100	YLCSOQDROVADAR-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218309821	PFQDDHUPKPYRAN-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C[C@@H](O)CC=Cc1ccccc1)C(C)(C)C	2219062518	NGEQXCMYFLKYHY-HOCLYGCPSA-N	246.394	4.523	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)c1cocc1C	2220026091	VQCWLQRHQUADMW-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@@]1(C)C=CCCC1	2220027776	LKISCBMYCXRXFX-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@]1(CC[C@H]2C[C@@H]2CC)CC=CCC1	2220854803	YJBGQIGLVUOAHP-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H]([C@H]1CCC1(C)C)[C@]1(C)CC=C(C)CC1	2221630293	IEPXVPQXQQHUCN-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](NC)c2c(C)cccc2C)CCC1	2222005606	YHDUAHVEMSDPSL-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
C[C@@H]1CCC[C@]1(CNC1CCC1)CC1CCCC1	2223542892	UYTGOGQITASBNL-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
c1ccc2c(c1)C[C@H](CC1CCCCCC1)CN2	2223661825	LRDXIXSPBLBXMG-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@H](C)c1ccc(C)cc1	2223963801	MOWOGUIQUZPYHM-NVXWUHKLSA-N	247.426	4.513	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)CC1(C)CC(C)C1	2246540993	VXXBFYAGSQLUOZ-SIWZUTFBSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)CCC(C)(C)C)C1	2246727328	MSMKNCWOPUNIOE-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@@H]2CCC2(C)C)CC1	2247347915	NSMUFSSXCLZFOS-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2CCC2(C)C)CC1	2247392631	YPILPHLLESCSEZ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C)NCCCCC[C@@H]1C[C@@H]1C	2248866776	RNRQIBHXSDSVTL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCCCC(F)F)NCC	2250353278	SXVXZVQJBIJUNJ-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)C[C@@H](N)CC[C@H](C)CCCC(C)C	2250525834	XOBJMIOXOARXMD-XHSDSOJGSA-N	241.463	4.993	0	10	BJAE	
CCCCCCN[C@@H]1CC(C)(C)CCC1(C)C	2251680357	BSIOUWVMSDRXOT-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CCC1CC(C)C1	2251762382	BXMDAXXVAHCAQL-GYTBAZASSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@]1(C)NCC[C@H]1CCCCC12CC2	2253885804	FSRVYURHAJMKGU-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(NCCCCCCC1CC1)C2	2254142310	DOLDHEFSTFCHJT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)C1(CC2CC2)CCC1	2254521084	JYTZWZPSBQDIHU-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)CC2=CCCCC2)C1(C)C	2255061724	DTFVSXHSBKFEKP-DYVFJYSZSA-N	248.410	4.908	0	10	BJAE	
CCCC1([C@H](N)CC[C@@H]2CCCC23CC3)CCC1	2255272234	YOBACCQOYJAGFE-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc([C@H](N)CC(C)(C)C(C)C)cc1	2256295075	ZOXNMIPTUAZYMV-MRXNPFEDSA-N	247.426	4.711	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@](C)(N)[C@@H]2CC23CCC3)C1	2256458169	MRZIDQGEVIXJDH-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)c1ccccc1C(C)C	2259430890	KPOKAWCJMZVYEE-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)c1coc2ccccc12	2259442756	JGAHOWIPRVRFMC-MLGOLLRUSA-N	245.366	4.520	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@]12CCC[C@H]1CC2	2260510066	ZDLDHEMSAQJLAP-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@]23CCCC[C@H]2CC3)C1	2260517380	AXAMQVQZEHMZNP-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@]12CCC[C@@H]1CC2	2260673514	SEGVBSFVMIMILD-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CC1(Nc2ccnc(C(C)(C)C)c2)CCCCC1	2260739034	AXBOSTMWERAIEF-UHFFFAOYSA-N	246.398	4.514	0	10	BJAE	
C[C@@H]1CC=C[C@](N)(CC2CC(CC(C)(C)C)C2)C1	2261259199	SRZGPJLHZIXQFC-ARAOSMHQSA-N	249.442	4.523	0	10	BJAE	
CCC(CC)CC[C@@H](N)C[C@@H]1CCC12CCC2	2300678154	HTAPBDUOQQRBBC-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC(=O)c1ccc(F)c(C)c1	2300699757	HUGIJUWURFIMGM-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC1CCCCCC1	2301140487	PGYALLLAENHESM-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC1(CC)CC(O)(C[C@@H]2CCC(C)(C)C2)C1	2302709654	JZJITQFEGPPPAZ-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCCC(=O)[C@H]2C)CC1	2303599900	APUMDRZUWDNVAT-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCC[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2304438052	TZSVCIBKIJEATN-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](N[C@@H]1C[C@H]1C(C)C)c1ccccc1	2308186238	AKJCWRJKESBZKN-GVDBMIGSSA-N	245.410	4.552	0	10	BJAE	
C[C@H]1CC[C@](C)(C(=O)C[C@@]23CCC[C@@H]2C3)C1(C)C	2310888284	VWAFBJYZLTWEAD-IXKJSCDLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H]1c2ccccc2NC[C@H]1C	2311573182	DFUQSPXNXKKLJJ-HGTKMLMNSA-N	243.394	4.658	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)C[C@@]23CCC[C@@H]2CC3)C1	2313343963	LFXPKGDWSYDYKO-JWDQPFGJSA-N	246.394	4.518	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C(C1CCC1)C1CCC1	2313597186	AHDZMUMUQSXAOV-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@]1(N)CCCCC12CCCC2	2313669597	USINZWNXENGDGG-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@H](NC)c1ccc(C)c(CC)c1	2314689402	IRRRAZGGUDQBLJ-KRWDZBQOSA-N	247.426	4.788	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1(C)CC2(CCC2)C1	2316500773	AMLBZOVKHVCYMG-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC12CC(CN)(CC1CCCCCC1)C2	2316929491	UETGRPAKPLJFPM-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
O=C1CCCCC[C@@H]1C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317148760	PHQFFTACUOCUFU-FPCVCCKLSA-N	246.394	4.518	0	10	BJAE	
CCCCC[C@H](C)Nc1cc(C)c(OC)c(C)c1	2317380686	BICYNIYDSQOVDC-AWEZNQCLSA-N	249.398	4.693	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1C[C@@H]1C1CCC1	2318565188	IJNHJZGEEYUQQY-HZPDHXFCSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)CCCC2=CCCCC2)C1	2318592728	MAICOQLLYIOWKI-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H]2CC(C)(C)C2(C)C)CC1	2320237912	PBRMXVGJVCEOBM-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@](CNC2CC2)([C@@H](C)C(C)C)CC1	2320398789	SQKVLBFLKFAGAH-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H](CC1CC1)C1CC1	2320816481	MNEDNUFRTSHPFW-INIZCTEOSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@@]2(C)CC2(C)C)c1	2327679754	AQJRAHDCRRIZRY-NVXWUHKLSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1cc2ccccc2o1	2328212025	CYVBJVSAHQHPMB-JSGCOSHPSA-N	246.350	4.683	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C(C)(C)c1ccccc1	2328282752	RMLFEVGJTXANRU-HOCLYGCPSA-N	248.410	4.542	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CCc1ccccc1C	2328302103	NXCZEHMBVXSIPY-OAHLLOKOSA-N	246.394	4.713	0	10	BJAE	
CC(C)=CCC[C@H](C)c1ccc(C)cc1O	1493068	BTXSROVNGICYFE-ZDUSSCGKSA-N	218.340	4.551	0	10	BJAE	biogenic
CCCC[C@@H](CC)[C@@H](N)c1c(C)cc(C)cc1C	20482420	JALDHPAXDSIYRO-NVXWUHKLSA-N	247.426	4.828	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cccc(C(C)C)c1	20556596	BTMSUTHTILSIGW-OLZOCXBDSA-N	219.372	4.657	0	10	BJAE	
CCN[C@@H](CC)c1ccc(C2CCCCC2)cc1	35550800	DRMDBLKPAUTMKH-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CC[C@H]1CCCCCCCCc2cc1c[nH]2	38236260	TYLZWBLMUCADIX-ZDUSSCGKSA-N	219.372	4.795	0	10	BJAE	
Cc1ccsc1[C@@H](O)C[C@H](C)CC(C)(C)C	42731053	UNEGUXJNHXCTDN-JQWIXIFHSA-N	240.412	4.552	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2ccc(C)c(F)c2)C1	71154590	IFLXQTYRWVVRSZ-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
Oc1ccc(-c2ccccc2C2CCCC2)cc1	75840629	LQRLYQANHQSNMC-UHFFFAOYSA-N	238.330	4.717	0	10	BJAE	
CCCCCC[C@@H](O)c1csc2ccccc12	87179310	PKMSJURSJUMKPB-CQSZACIVSA-N	248.391	4.905	0	10	BJAE	
CCCN[C@@H](c1cscc1C)C(CC)CC	87288903	RVVMNQWSXPUUBF-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CC(C)(C)[C@H](N)c1ccc(Cl)c2ccccc12	93656393	XNLASXQZOVWOGJ-CQSZACIVSA-N	247.769	4.539	0	10	BJAE	
CC(C)C[C@@H](N)c1cc(C(C)C)ccc1Cl	107998641	DZRXKAZEPGUNFV-CQSZACIVSA-N	239.790	4.509	0	10	BJAE	
CCCN[C@H](CCC(C)C)c1cccc(CC)c1	122676241	OYKQMYINXMSYHC-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1(CC)CCCC1	124991371	JFVHFQBJPLAKOC-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](c1ccc(C2CCC2)cc1)C(C)C	133135071	GGIWSGLQBVEMKX-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@@H]1CCC(C)C	135186881	JADGZGHQCKRTKW-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
Cc1sc2ccc(Cl)cc2c1Cl	142533885	YFOPNZGFKJWEIP-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCCN[C@@H](CCC)c1cc2ccccc2s1	167381459	ZVGWMEGMMAUPAD-ZDUSSCGKSA-N	247.407	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2CCCCC2)C1	203537764	VXGGIVLWUIPQKP-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
C[C@H](C(=O)c1ccccc1)[C@H]1CC[C@@H](C)[C@@H](C)C1	229070930	VTKFIIJKSBKHQF-HOSILWTGSA-N	244.378	4.578	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCCC(F)(F)F	229359900	JJABGJSCGVSVPV-JTQLQIEISA-N	238.293	4.505	0	10	BJAE	
CCCN[C@H](C=C(C)C)C[C@@H](C)CC(C)(C)C	229746069	GJGIGLFNQGXMJQ-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CCCCC[C@H](NCC)C1(C)CCCCC1	232956697	ZLZSUAYXNQZPDW-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H](C)CCC)CC1	232968830	RDDXPMKUUYYCQS-HSBZDZAISA-N	224.388	4.598	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2ccc(F)c(C)c2)C1	235400573	WTASBFOSLXGKEW-FZMZJTMJSA-N	247.357	4.538	0	10	BJAE	
Cc1cc(C)c(NC[C@@H](C)CC(C)C)c(C)c1	302285555	FQUKGQVJTQGRJP-ZDUSSCGKSA-N	233.399	4.706	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(CC)c(C)c1	302369666	ZMYLOIMXIWRUHZ-AWEZNQCLSA-N	233.399	4.938	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](CNC(C)C)CC(C)C	302441620	WKTGNDRRNFFTKP-JKSUJKDBSA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1CCNc2ccccc21	305907794	DJMVNWULDMZCLI-UONOGXRCSA-N	231.383	4.658	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCC[C@H](C)C2)c(F)c1	310754544	KZSQZQLTUJVDSD-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
C/C=C/C[C@]1(CNC(C)(C)C)CCC[C@@H](C)C1	317888053	FFLNNIWVNUGWOW-LREFGLRZSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H](C)[C@@H](C)CC	318943442	WLZNYFSNLDMANG-OFQRWUPVSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@]1(CNC2CC2)CC[C@@H](C)C1	319127956	BMRUYPLGVWVEFP-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CC/C=C/c1ccccc1)CCC(C)C	324354980	ZYRCTDNEWJWEET-ZBZNSMLMSA-N	245.410	4.504	0	10	BJAE	
Cc1ccc(F)c(NC[C@@H](C)C2CCCCC2)c1	381298441	BLBLZEUWBRGMJO-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@H]2CC3CCC2CC3)cc1	382267449	YLVCFQPPHCRKLL-PBMMVSLJSA-N	243.394	4.622	0	10	BJAE	
C[C@H]1CCC[C@H](c2nc3cccc(Cl)c3[nH]2)C1	383554676	QUHQFHIDBLHSAK-UWVGGRQHSA-N	248.757	4.510	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)C[C@@H](C)c1ccccc1	384314805	MTAWZFWHXHABPC-OIISXLGYSA-N	246.394	4.512	0	10	BJAE	
CN[C@H](c1cc(C)ccc1C)C(C)(C)C(C)(C)C	386471685	HHNPFKSPPJLAIV-OAHLLOKOSA-N	247.426	4.636	0	10	BJAE	
CC(C)CC(C)(C)CNCC1(C)CCCCC1	394664326	MKEPBYXXPYWWBH-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H]1CCCC[C@H]1C	395061584	VGECOAVBDTYDJR-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CC)[C@@H]1CCN[C@H]1c1ccccc1	395171682	DDJXHFYFNXJKAQ-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
Cc1cccc(C)c1OCCC1=CCCCC1	395329786	FJKIFJOWJGYTRZ-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCc1ccc2c(C(F)F)c(CC)sc2c1	396164503	AXYNMOIKLAPQHR-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCOc1c(C(F)F)ccc2scc(C)c12	396240862	KXDKTVCMEJYYRT-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
COc1sc2ccc(Cl)cc2c1C(F)F	396292687	PHKVRUIVYUMFLY-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC[C@H](Nc1ccc(SC)cc1)[C@@H]1CC1(C)C	397638594	XTFRAUIZSCOUDI-KBPBESRZSA-N	249.423	4.645	0	10	BJAE	
CCCc1ccc(N[C@@H](CC)[C@@H]2CC2(C)C)cc1	397647597	SOSQDCOVHDLVBJ-HOTGVXAUSA-N	245.410	4.876	0	10	BJAE	
CC(C)=CCCN[C@@H]1CCC[C@H](C(C)C)CC1	397651758	FLIINKOEZKDNQH-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1C)[C@@H]1CC1(C)C	397672168	QOHYUCBGPNJIHB-UONOGXRCSA-N	231.383	4.540	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@@H]1CCC[C@@H](C)C1	400880220	WOAMFOXFIFETCF-ZWNOBZJWSA-N	238.758	4.606	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@@H](CC2=CCCC2)C1	401169115	NACURSZWQQPPLU-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCC(C)(C)C2CC2)C1	406079797	WTEQARTUXZJREM-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCCC1CCC1)NCCC	688356988	DNOFVXRUGSQEDE-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@H]1CCCC2(CC2)C1	688388363	HUJZSVQAECHKSO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(O)CCCCC[C@H]1C(C)C	691129091	SLAYYFCWXGPXQF-JYJNAYRXSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NC2CC3(CCC3)C2)CC1	697672715	AKLIOMPFBYEWGJ-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCCC[C@H]1CCOc2ccccc21	704737428	DGXANQNZFQIZFJ-AWEZNQCLSA-N	230.351	4.689	0	10	BJAE	
CCCN[C@@H](CCCCC=C(C)C)C(C)C	704939594	IADHXJXDFOABAQ-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCC[C@@H]1C)CC(C)(C)C	704993300	FDMSQZPWMIRAPJ-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](NC[C@H]1CCCC12CC2)C1CCCC1	706297818	ZLQUYANRNCPWTL-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](N[C@H](C)C1(C)CC1)c1ccccc1	706890027	ZJNHIZMPQLKJAV-GDBMZVCRSA-N	245.410	4.696	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@H]1CC2CCC1CC2	707608466	PWAZKBFCTQCEKN-BNICSPFPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@@H](C)CC(C)C	708268355	AZVQYVSEVJMNCH-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](NC[C@H](C)CC(C)(C)C)C1CCC1	709077598	TUCWATCGTHIDEV-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)C[C@@H](C)CC(C)(C)C	709080638	AGHSDYPEIJZYKN-KFWWJZLASA-N	241.463	4.848	0	10	BJAE	
CCC[C@H](CNC1CC1)C[C@@H](C)CC(C)(C)C	709106699	OSIPOCSILBSZGT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H](C)C(C)(C)C)CC1	710753131	LOQRIOLAOWUIRO-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@H](C)C(C)(C)C)C1	710755093	SYDSDNSYOMPXNI-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@@H](O)CCCC1CCC1)CC(C)(C)C	711169033	JUSYNSBHDQIYAD-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCC(C)(C)CC)CC1	711276561	FKWJEMSCXSUSKP-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCOc1cc(NCCC(C)(C)CC)ccc1C	711289285	RBPXKGQZPNASOR-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)C1CCCCCCC1	713144898	DFGPXGKGPBQSMT-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CC(C)(C)CC	713236359	VNIPBQPIDZJWSV-UONOGXRCSA-N	227.436	4.602	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@@H]1CC[C@H](CC)C1	713743549	GPMYPHIXXRTZAZ-ZKMWYASASA-N	249.442	4.703	0	10	BJAE	
CC1CCC(C[C@]2(CN)CCC=CCCC2)CC1	718979408	OLHPMTVKOSPEJS-JCYILVPMSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@@]12CCCC[C@H]1C2	719263789	DJJGBTVQTRVAMP-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@H](C)CC)C(C)(CC)CC	721756843	FVSYHUSMRZHKCE-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CC2)C1CCCCCC1	722634177	VJGZTPURUFNFSX-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
c1ccc([C@@H]2CC[C@@H](CSCC3CC3)C2)cc1	1166246778	MANSCWHNFJFNLD-GDBMZVCRSA-N	246.419	4.714	0	10	BJAE	
Cc1cccc(C)c1CSCC(C)(C)C	1189331996	GBBKJKLYWHJQKS-UHFFFAOYSA-N	222.397	4.583	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1cc(C)cc(F)c1	1650711864	HJTCWQSQXWOEQN-XJKSGUPXSA-N	247.357	4.538	0	10	BJAE	
CCCN(CCC)Cc1cccc(C(C)(C)C)c1	1652283920	IPWOBFBTHVJTBZ-UHFFFAOYSA-N	247.426	4.606	0	10	BJAE	
C/C(=C/c1ccccc1)CNCCCCC(C)C	1656565965	FPCLNJHUUWNDHF-SSZFMOIBSA-N	245.410	4.506	0	10	BJAE	
CC(C)(C)Sc1ccc(F)c2ccccc12	1775954530	PAXVUVUOPAUWEF-UHFFFAOYSA-N	234.339	4.870	0	10	BJAE	
CC(C)=CCCC[C@@](C)(F)C(C)(C)F	1893752897	GQSJNSHOMMXIHF-GFCCVEGCSA-N	204.304	4.599	0	10	BJAE	
Cc1c(Cl)cccc1O[C@@H](C)CC1CCC1	1899377249	KBVIFBOBFVFKQI-JTQLQIEISA-N	238.758	4.606	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cccc(Cl)c1	1900699251	ZBTPHKLGMXNYNG-AWEZNQCLSA-N	239.790	4.556	0	10	BJAE	
CCC(CC)CC[C@H](CC)CN[C@@H](C)CC	1900701300	LHUCTRXMHIPHBH-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CC[C@H]1CCC(C)(C)CC1=O	1900711925	GJFUDOVXEXCJAS-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC(C)=CCC(=O)C1(C(C)(C)C)CCC1	1900892409	IXSJOYCOJZTHFP-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCC(C)=CCCc1nc(C(C)(C)C)cs1	1900898113	LQIDKLUZPXZBFQ-UHFFFAOYSA-N	237.412	4.730	0	10	BJAE	
CCCN[C@H](C)CC=C(C)CCCC(C)C	1900908926	GVRCMZRECPAONF-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
Cc1sccc1OCCCCC[C@@H]1C[C@H]1C	1904942821	ORIXHTJLNWGSAM-DGCLKSJQSA-N	238.396	4.652	0	10	BJAE	
CC(C)(F)[C@@](C)(F)CC[C@@H]1C=CCCCC1	1905309820	QGEGJBNTJCNKBW-OCCSQVGLSA-N	230.342	4.989	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](NC)c1cccs1	1905435545	RULVLVDOYXMLJC-CHWSQXEVSA-N	239.428	4.615	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1sc(C)cc1C	1905454724	UUVADZYOAAEGBT-CHWSQXEVSA-N	239.428	4.581	0	10	BJAE	
C=CC=CCC[C@H]1CCOC2(CCCCC2)C1	1911892658	ROXYBVVXROEQEN-HNNXBMFYSA-N	234.383	4.638	0	10	BJAE	
CC(C)CNCCC=CC[C@@H](C)CC(C)(C)C	1912136232	NWVCRTASIVARAC-OAHLLOKOSA-N	239.447	4.641	0	10	BJAE	
CCC1(C[C@@H](NC)C2CC3(CCCC3)C2)CCC1	1912595287	AOGXUVMXSKVWKR-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)CC1CCC=CCC1)C1CCCCC1	1924098488	GTWGRDILOBRJGN-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)[C@@H](C)C1CCC1	1925785385	IFRUHNSCQKINCI-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@H](C[C@@H]2C[C@@H]2c2ccccc2)CCCC1	1925832237	FQBCDFIGRVTPFN-USXIJHARSA-N	226.363	4.927	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCCC1)C1CCC(C)CC1	1925945211	KAHHAKRRQTVKEB-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC(=O)c1cc2cccc(F)c2o1	1926147021	ZRYNAPHKLKMKQV-UHFFFAOYSA-N	248.297	4.581	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCC(C)(C)C[C@H]1CN	1927160919	KPXKZNBVDBCTJU-KGLIPLIRSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@@H](CC(C)C)C(C)C	1941266411	FJCJNVXAFSMZCE-JYJNAYRXSA-N	241.463	4.719	0	10	BJAE	
CCC1CCC([C@H](O)[C@@H](C)CCC(C)C)CC1	1942656719	DRZANJISEYHSMJ-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@]1(CNC(C)C)CCCC1(C)C	1944474900	FUANAUULDOYZLR-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1CCC[C@@H]1C	1944851020	ZLARNBSCVUDYSS-KBPBESRZSA-N	231.383	4.658	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@H]1CCC(C)(C)C1	1945592030	LMALEYWZNKQZDU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC1CCCCCC1	1947453461	PKMTXQHLFUVQCE-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC(C)(F)F)NCCC	1947989123	VNESIDCJCQSUMZ-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCCCC[C@H](CC1CC2(CCC2)C1)NCC	1949736619	RQFGQOCUEGZTLY-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)CC2CCCC2)C[C@H]1C	1949861352	FBMYBTANFFWGCH-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCCC1CCCC1)CC1CCCC1	1949864523	OEYYEOYLGFSBEE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H]1CCC2(CC2)C1	1950259262	IDPZQNQXSKWPPW-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CN[C@H]1CCCCC12CCC2	1965980895	UWLPPHGGZNQWBB-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CCC3CC2C3)cc1	1968275044	CFVPREUBBBHDLP-ZUEPYMLJSA-N	243.394	4.585	0	10	BJAE	
Cc1ccc(C)c(OCC2C[C@H](C)C[C@@H](C)C2)c1	1968307558	LUADOUGRXJUVCT-ZIAGYGMSSA-N	246.394	4.755	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CCC2)C1)c1cccs1	1968431189	XIXNZDDCUOLXOH-STQMWFEESA-N	249.423	4.512	0	10	BJAE	
C1CCC(CCNC2CC3(CCCCC3)C2)CC1	1968848563	HSOMOMILXUEHGK-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC(CNC2(C3CCCC3)CC2)CC1	1970500277	OOHZBRTTXRFFFC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CNC1CC2(CCCCC2)C1	1972428049	DHZGXGIYQZVQCK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@H](CC)CCCC	1984636320	YFHMVSCBCOGDLI-VZLFFANISA-N	225.420	4.537	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cccc(Cl)c1C	1989819763	VWDRDIPFFZMKGS-LLVKDONJSA-N	239.790	4.885	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCCC2(CCCCC2)C1	1996647952	UDFUUGJPERNZPL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCCC1CC1)CC(C)(C)C(C)C	2000371394	HPIMCVZDHTVJHL-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](NCC)[C@H](C)[C@@H](C)CC)CCC1	2000376193	KSRZMUXSBGSCGW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)C[C@H]1CC=CCC1	2000515954	ULMBIXNDVQGTDD-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CCC(C)(F)F)CNCCC	2000523978	UMEWAMDHJDXMNT-CYBMUJFWSA-N	249.389	4.618	0	10	BJAE	
CCCc1nc2c(s1)CCCC21CCCCC1	2001568524	SMHJUFQZOSHHEG-UHFFFAOYSA-N	249.423	4.634	0	10	BJAE	
CCC(C)(C)C(=O)C[C@]1(C)CCCCC1(F)F	2002584849	CLURAKFRRZHIJW-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CC1(C)C(NC2CCCCCCCC2)C1(C)C	2003100394	QTNNHRMELKAPNV-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@H]1CC[C@H](C)CC1	2003102463	CLBQTSIFUBADRY-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
O[C@H]1CCCCCCC[C@H]1CCC1CCCC1	2003119276	UVMVGMFZFGTGJI-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCC[C@@H](N)C1(C)CCCCCCC1	2004921044	QROYDARCIZCWOG-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)C1(C)CCC(C)(C)CC1	2007693515	GCCLNAUONYMPPT-MELADBBJSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CC1CC(C(C)C)C1	2007757906	AJXWICDSKYXBRD-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
N[C@H](C=C1CCCCC1)C1CCCCCCC1	2007933909	DZFWMHUZHDADOV-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C/C=C/CCCOc1ccc([C@H](C)CC)cc1	2009568018	YDJAGQAMQZZJSC-YVARQFDVSA-N	232.367	4.935	0	10	BJAE	
CC=CCCC[C@@H](O)c1csc2ccccc12	2009593933	PNRSNSUCMPKRFU-CQSZACIVSA-N	246.375	4.681	0	10	BJAE	
CCCC[C@H](CC1=CC[C@H](C)CC1)NCCC	2010627363	UYLQPMLCJNSLGW-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)[C@@](C)(N)C1=CC[C@H](C(C)(C)C)CC1	2010730079	UWTQTULYINMIDX-HEHGZKQESA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@@]12CCC[C@H]1C2	2011009817	BEFUYZGLLZMVHC-DZKIICNBSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CCC[C@@]12CCC[C@H]1C2)NCC	2011023313	ZJSXGGSGBLOROI-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011977700	XMBKKLGTOLNLKP-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CC[C@](O)(CCC(C)C)[C@@H]1CC[C@@H](C)[C@H](C)C1	2013270006	DRYMCUMZTXAVAH-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](O)(CC)CCC(C)C)C1	2013270198	GJVBQWHATUNUEC-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC1(O)CC(CC(C)(C)C)C1)C(C)(C)C	2014658485	ZQMDTDFJQJRECG-FUJMWEONSA-N	240.431	4.636	0	10	BJAE	
CCCC1([C@H](O)CCC(C(C)C)C(C)C)CC1	2015336841	SWFSLCWDBFWSAJ-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1(CC(C)C)CC1	2015742767	OVVSDNJTSKMEBW-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(C[C@H](O)CCC2CCCC2)CCC1	2017121472	PDMSUKAIXDUDIC-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C(C)(C)C1CCC1	2017478667	UMJFYPOAFHCNNY-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)[C@@](C)(N)C1CCC(C(C)C)CC1	2017488343	CMFMLRCGADCLRW-UYSNPLJNSA-N	237.431	4.523	0	10	BJAE	
CCCC1CCC(C[C@@](C)(N)[C@@H](C)CC)CC1	2017719774	CWMPPXRJKIWKNT-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC)[C@H](C)C[C@H]1CC[C@H](CC)CC1	2017731348	QLQHNBZIIXQCEU-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)Nc1cccc(C(C)C)n1	2018079774	PRNQAKRZTBBOBP-CYBMUJFWSA-N	234.387	4.586	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@@H](C)[C@@H](C)C1	2018139315	QNAXXGUKJXTJFN-FXUDXRNXSA-N	239.447	4.760	0	10	BJAE	
CCC[C@](O)(C[C@]12CCCC[C@H]1C2)C(C)(C)C	2018571822	DILWHPIANDJEFH-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](N)C2(C(C)(C)C)CCC2)CC1	2018998723	WDJKZORTADBRFV-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](N(C)[C@H](C)CC(C)(C)C)CC[C@H]1C	2019123035	ANSGVSOVFHYAKH-BARDWOONSA-N	239.447	4.568	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1C=CCCCCC1	2019126254	JNFNCLYJWZPPOC-JKSUJKDBSA-N	237.431	4.632	0	10	BJAE	
Clc1cccc2ccn([C@H]3C=CCCCC3)c12	2019531154	ARTOJSIYBZCWSQ-ZDUSSCGKSA-N	245.753	4.966	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1C[C@@H]1C(C)(C)C	2022562000	XXDQSDVIPUYARV-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1CC1CCC(C)(C)CC1	2024604436	CCVOCINCVNHLHW-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CC1CC(CC)C1	2025434645	CZZMDOZTWWYMJS-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C1CC(C(C)C)C1	2026058687	FGSOHCTZGNOVII-NFOMZHRRSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2C[C@@H]3CC[C@@H]3C2)n1	2026532082	VTXOZUYHSSPGEL-WUHRBBMRSA-N	249.423	4.635	0	10	BJAE	
CC[C@@H](NCCC[C@@H]1CC1(C)C)c1ccccc1	2027833613	VPKOXZPRSXDROC-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc([C@H](N)[C@H](CC(C)C)C(C)C)c(C)c1	2028263741	NBXPFNXYKROJKY-SJORKVTESA-N	247.426	4.622	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2cccc(C3CC3)c2)C1	2028557710	PUXMCYZPXKFNMK-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
Cc1ccc([C@](C)(O)CCCCCC2CC2)cc1	2028619583	TZLLTEGXDDTVFB-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1ccccc1CC(C)C	2028924844	YMGGFYMKCDLJIO-RHSMWYFYSA-N	247.426	4.711	0	10	BJAE	
CC1(C[C@H](N)c2ccccc2C2CCC2)CCC1	2029067661	HEGDMKXYUACDDK-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCc1cccc(C(=O)C2C[C@H](C)C[C@@H](C)C2)c1	2030243805	ZKYKSKKWILXKFN-CHWSQXEVSA-N	244.378	4.504	0	10	BJAE	
CC[C@H]1CCCCC1=C1CCNC[C@@H]1CC(C)C	2032490077	JDJHBIMCIOPLGK-GJZGRUSLSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2032780650	WOKPAFNINVCLCE-ABPIDSFRSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@@H]2CCC(C)(C)C2)c1	2033389088	UKNKKOJSQHSUOX-HZPDHXFCSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CCC[C@@H]1C	2035576003	LZUFXCRVBKEGEN-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](C1CCCCCC1)[C@@H]1CCC2(CCCC2)C1	2037592252	MBEGUEFLTHHCFW-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1CNC2(CCCCC2)C1	2037723540	HAGDSTMDCWVBDC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(CNC2C[C@@H]3CCC[C@H]3C2)CCCCCC1	2038548398	HJYOHILELNOEDX-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@H]1CCC2(CC2)C1	2038573990	BQXOZLGINHOXCB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1N[C@@H]1CCCC2(CCCCC2)C1	2040763613	RSCKENMMMLEZMP-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
FC1(F)C[C@H]1c1ccc(C[C@@H]2C=CCCC2)cc1	2040911254	VIPMXVCSMZKTBJ-DOMZBBRYSA-N	248.316	4.708	0	10	BJAE	
CCC[C@@](C)(CNCC)C[C@@H](C)c1ccccc1	2045997816	NKFAGSQSADHXRO-NVXWUHKLSA-N	247.426	4.596	0	10	BJAE	
N[C@H](CC[C@H]1CC12CCCC2)CC1CCCCC1	2047011601	LFRUZPFKYSJLKF-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@@H]1CCC12CCC2	2047941541	CZZJJDKTYCTCHM-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2049191644	MEXQHIUAJXQNGI-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCCCC[C@H]1CC1CC2(CCC2)C1	2049642620	XXDDDCXLYPQUGN-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@H](N)CC2CCC3(CC2)CC3)C1	2049938397	QHJBFEYBZXTBJS-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CCC1)[C@@]1(C)C=CCCC1	2050000186	KOYVFWQXINYQFB-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(NC2C3CCCC2CCC3)c1C	2050042574	QCOYPEKQDZRYRB-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC[C@H]2CC2(C)C)cc1	2050428665	FYWPRMCRWGDIQC-HOTGVXAUSA-N	245.410	4.601	0	10	BJAE	
O=C(CC[C@H]1C=CCCCC1)c1ccc(F)cc1	2050494864	NHBSBQJGHUHPFA-ZDUSSCGKSA-N	246.325	4.535	0	10	BJAE	
CN(CCCC1CC1)C1CCC2(CCCC2)CC1	2051644252	CDIUSYUUJOXOQX-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC(CC(=O)[C@H]2CCCCC23CCC3)C1	2053361503	XPNZTJDCXQYYLK-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)CCC1CCCCC1	2056878642	MLFMGXNLEAKICW-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCC1(CC)CC(N)(C[C@@H]2CC3CCC2CC3)C1	2058832692	CPAQYNXXKTUYCL-NRXISQOPSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCC)C12CCC(CC1)CC2	2059266338	FLRUNHMOSYQQSH-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(NC2C[C@H]3CC[C@H](C2)C3)C1	2059396609	BQIJPFFKBDXKAJ-PYBGIAKNSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC=C([C@@](N)(CCC(C)C)C2CC2)CC1	2061113586	PSLWGJFKBAVVMU-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C1=CC[C@@H](CC)CC1	2061141208	UAEYWMVYWONILW-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CC1(CCNCC[C@@]23CCC[C@@H]2C3)CCCCC1	2061572781	TWDANXOZEJEGSB-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C=CCCC1	2063414852	MLVXIYPQDQXMAQ-JYYAWHABSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063540092	FNEAISKDPCLIHL-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@@H]1CC)c1occc1C	2063677051	FBYYXADQXOBVTD-KKUMJFAQSA-N	249.398	4.598	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC1(C)C)c1occc1C	2063677927	MPNLREPWNDDYIK-UONOGXRCSA-N	249.398	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C2CC3(C2)CC(C)(C)C3)C1	2063819032	XYZLDPNINHAJQF-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@H](C)C1CC2(CC2)C1)C1CCCCCC1	2064501981	OTHIBPOLUJVTQE-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC23CCC(CC2)CC3)CC1	2065278690	AKYUNEAQORGTBV-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)[C@@](N)(CC23CCC(CC2)CC3)CCC1	2065285163	BXALYVCQPFVKRW-JCYILVPMSA-N	247.426	4.565	0	10	BJAE	
CC[C@@](N)(CC12CCC(CC1)CC2)[C@@H]1CC1(C)C	2065336893	HBBCMWIRQCLVOE-VVBDHPJYSA-N	249.442	4.501	0	10	BJAE	
C1=C[C@H](NC2CCC3(CCCCCC3)CC2)CC1	2065897300	OCGMQGRPOOHSPE-HNNXBMFYSA-N	247.426	4.578	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCCC2(C)C)n1	2066346696	JRTLBWPPYCUCMT-AWEZNQCLSA-N	246.398	4.586	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCCC12CC2)C1(C)CCCC1	2067519165	DFXZJJHUGCVWME-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)CC1CC(N)(CC[C@@]23CCC[C@H]2C3)C1	2067983768	XYONRVVQUHBIDV-OBKBAYEDSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(NC[C@@]2(C)C=CCCC2)C1	2067988889	PVAXPUDMRMWLKZ-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(N)CCCCC23CCC3)CC1	2072795444	DOAXSVSLVKOBOV-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@@H](CC)NCC1CC(=C2CCC2)C1	2073349635	DWZJNWMIOHQTRG-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@]23CCCC[C@@H]2C3)C1	2074031144	XGANCKAABUBWJV-QBPKDAKJSA-N	249.442	4.502	0	10	BJAE	
CCNC[C@]1(CC2(CC)CC2)CCCC12CCC2	2074624337	QJHOHIBQONPCET-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1CC(CC(=O)C[C@H]2C[C@@H]2C2CCCCC2)C1	2079841512	JHVJYMIJVNQXNP-IDQHFDBOSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@]1(CC=C2CCC2)CCC[C@@H](C)C1	2081677427	LSCJKZFCVPOCAF-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1ccc(C2CCC2)cc1	2081781257	SGMDHVZZIMOQKW-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](O)CCCCC1CC1	2214565318	MAJDIKNSPNZLBJ-HOTGVXAUSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC[C@H]1C[C@@H]1CC	2215245504	HZRSRJVGUTVUHP-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)c1cc2ccccc2s1	2215346821	SQVDANBKIWZQOB-QWRGUYRKSA-N	244.359	4.520	0	10	BJAE	
CCC(CC)N(CC[C@@H]1C[C@@H]1CC)CC(C)C	2215360164	ABXBRBILKPUCSP-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CO)CC=C(C)CC1	2215832274	GLWANSHZKWHDJP-HOTGVXAUSA-N	238.415	4.702	0	10	BJAE	
CCCN[C@H](CCCCC(F)F)C(CC)CC	2216447049	LDQGORQXJHCGPA-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCCCC(F)F)NCC	2216456876	LIRJOEBZGFKVIW-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@H](N)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216766733	ZENWTDWWVBZMBJ-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CN[C@H](C)CC)CC1(C)CCCCC1	2217156462	LKTJIGSJGWIGAP-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](N[C@@H]2CCC3(CCC3)C2)C1	2218039856	OCYUNYVCCBZCGD-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)CCC=CCCC1	2218718238	LTFMBTQIMYTOLO-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
C1=C[C@H](CNCCCCCCC2CC2)CCCC1	2218729255	YHNCHJCNEPIGLD-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1CC[C@@H]2C[C@H]2C1	2218731430	NGEPLGVWBICHLM-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1CC/C=C/c1ccccc1	2219075451	CPRZRVIEPRRNDZ-AWNIVKPZSA-N	236.358	4.949	0	10	BJAE	
CCN[C@@H](CC=Cc1ccccc1)C(CC)CC	2219085543	NMQQZCDFDMKFGC-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
CCC[C@@H](C)[C@H](C/C=C/c1ccccc1)NCC	2219085622	OBSIQTYZTQYNJE-IQUZECRKSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC1(N)CC2(CCCCCC2)C1	2220877458	KIHDYXDVJPCLFM-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CC1(C)CC2(CCC2)C1	2221035746	RXRJNRPLCPSOJJ-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](N[C@@H]1CC=C(C)CC1)c1ccccc1	2221668188	YEUZNXBVPKUROC-IAGOWNOFSA-N	243.394	4.616	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CC[C@H]2CC[C@H]21	2223153677	CVRPNHBLBHPCHX-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)C[C@@H](CN[C@@H](C)CC)c1ccccc1	2223550254	WBSMVHIKRJZMJI-ZOBUZTSGSA-N	247.426	4.595	0	10	BJAE	
CC1(C)CCC[C@@]1(CNC1CCC1)C1CCCC1	2223576115	FSBDHKIQMWEUDM-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(CNC2CCC2)CC=CCC1	2223599324	JZPKUQLFKCOBLU-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1=CCCCC1	2243236672	ZHYLFABNJOWDJP-HNNXBMFYSA-N	223.404	4.565	0	10	BJAE	
CCC(CC)[C@H](N)CC[C@@H]1CCCCC12CC2	2246630198	MHBSQENKIXTION-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCc1ccnc(C(F)F)c1C	2248091351	PGLSFQMEWPJKTM-UHFFFAOYSA-N	239.309	4.617	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C(C)(C)C1CC1	2248838277	HRFSVJHCRQAXLY-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)C1=CCCCCC1	2250356573	RHIKHYJSPQYBPH-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC(C)(C)C(F)(F)CC	2250368903	UBWACIYXDBSKIX-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
O=C(CC[C@]12CCCC[C@H]1CC2)c1cccs1	2251146988	WBXLIEFADCMFHG-SWLSCSKDSA-N	248.391	4.681	0	10	BJAE	
Cc1ccc(-c2ncc(C3CCCC3)s2)cc1	2252757777	ILMZQVAYVOOLEJ-UHFFFAOYSA-N	243.375	4.776	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(CC[C@@H]2CCCCC23CC3)C1	2253839114	LWYLDIWNNADBII-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc2c1ccn2CCCC[C@H]1C[C@@H]1C	2254522659	PPBHTNMXHGCRQR-GJZGRUSLSA-N	241.378	4.776	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@@H]2CCCC23CC3)C1	2255325226	FLWCAANERUXJCB-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@]1(C)C(=O)c1cccc(C2CCCC2)c1	2260726812	HCJBWIPIBKQNMC-YVEFUNNKSA-N	242.362	4.573	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCC[C@H]1CC1(C)C	2300496983	QFQXVKLZAUCZSB-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@H](O)C1CC2(CCCC2)C1	2300676060	KVCYAFAPAGMCRF-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C1(C)CC(C)C1	2300679303	ROXMMEPTLFGDFA-OGVSOVDVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H](CC(C)C)C(C)C	2300686487	RELRVUSTPNYBSV-HOTGVXAUSA-N	242.447	4.882	0	10	BJAE	
CCC(C)=CC[C@@](CC)(CNC(C)C)C(C)C	2300860325	GGDGZDGYRRCWLC-INIZCTEOSA-N	239.447	4.783	0	10	BJAE	
CCCSc1ccccc1NCC=C(C)CC	2300870416	UHZGENSZSXSNSN-UHFFFAOYSA-N	249.423	4.957	0	10	BJAE	
CCCN[C@H](CC[C@H](C)[C@@H](C)C(C)C)C(C)C	2301844802	SVNUXUGMVKFFCZ-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
Cc1cccc(-c2nc([C@@H](C)C(C)C)cs2)c1	2301914512	FBNAIOUHOPECAD-LBPRGKRZSA-N	245.391	4.878	0	10	BJAE	
CCSc1cccc(N[C@@H]2CC(C)(C)[C@@H]2C)c1	2302088227	WFOLIVITQNGYGP-BXUZGUMPSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](CC1CC1)C1CC1	2303738122	MVFJEAVYPAVMTF-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCC[C@H](O)C2)C1	2304396260	JRINAICMOYOTHW-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc(NCC2(C)CCC2)c1F	2307559692	RWDJTJZSLNHOBA-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CNC)C1CCCCC1	2307835472	QTZXRJPKHRJDBN-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H]1CCCC12CCC2	2307907095	BAKHQXCJUQNXAU-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309185433	XJBDSBHNNQSSIF-QAETUUGQSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CC[C@]12CCC[C@@H]1C2	2310378755	JKPOXKKABIFPGE-DLTWYDFYSA-N	248.410	4.598	0	10	BJAE	
C[C@@]12CC[C@H](NC3CCCCCCCCC3)[C@@H]1C2	2310551090	XBGWPTOQXBUXPK-ULQDDVLXSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@@H]1C[C@H]1C1CCCCC1	2311525486	SWHIKHAQDNDTTF-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC1CC1)c1ccccc1	2313605509	HENAWIJENNLKFK-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
N[C@@H](CC1CCCC1)CC(CC1CC1)CC1CC1	2313605781	YWDBDSYEQXBINB-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@H]1CC2CCC1CC2	2316505170	XVGNKPQHTYAMOO-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
C[C@@](O)(CCC1CCCCCC1)c1ccccc1	2316866277	DQVAFDAICJTEBP-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C[C@@H]1CCC2(CC2)C1	2317906966	MJTWCXZBRITWFP-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1[C@@H](Nc2ccc(C(C)(C)C)cc2)CC1(C)C	2318182073	JJLIIVXBLSAYCJ-DOMZBBRYSA-N	245.410	4.831	0	10	BJAE	
CC(C)(C)[C@@H]1CCN(CCCC2=CCCCC2)C1	2318575610	HCKYYUVCAKGDRN-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
Cc1cccc(OCCCC2=CCCCC2)c1C	2318588378	YYFVWURPBPKBTN-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)C[C@H]2CC23CCCCC3)C1	2318988779	AIMXDKBEHCELDR-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@H]1CCC(C)(C)C1	2319108710	QWWLGQYFLXUTFA-AWEZNQCLSA-N	244.378	4.784	0	10	BJAE	
C[C@H](C[C@]1(N)CCCC[C@H]2C[C@H]21)C1CCCCC1	2319445106	AUSZTOUVLSEUTP-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC[C@@H]2CC[C@H]2C2CC2)C1	2319749217	MNQMIKBMNLCXJX-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CC[C@H]2C(C)(C)C)c1	2320249364	KFECTBGRFQFIES-DZGCQCFKSA-N	244.378	4.640	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2CC[C@H]2C(C)(C)C)c1	2320256054	PMOLOTKPAVPNPJ-GDBMZVCRSA-N	246.394	4.755	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC[C@@H]2C)CCC(C)=C(C)C1	2320267325	DNISSUYPJSNDAA-BHYGNILZSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(O)C=CCCC2(C)C)CC1	2320326166	CRSAMCGZFFXUOF-NVXWUHKLSA-N	248.410	4.620	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CC(C)(C)C[C@H]2C)CC1	2320338481	VYGVVNOIGPNCRN-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)C[C@H]2CC2(C)C)c1	2327682315	PYAUGLRSRGTJAA-XJKSGUPXSA-N	246.394	4.588	0	10	BJAE	
Cc1ccc2c(c1)C[C@H](CC1CCCCC1)CN2	11633699	RBCIXPYKXUNUGE-HNNXBMFYSA-N	243.394	4.550	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1c(C)cc(C)cc1C	20482430	JALDHPAXDSIYRO-RDJZCZTQSA-N	247.426	4.828	0	10	BJAE	
CCCN[C@H](CCC(C)C)c1ccc(C)s1	35573102	MGECVJGYXBHPBR-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCC(CCC)(CCC)C1N=NN=N1	39627698	VJUSHVWWGURUGW-UHFFFAOYSA-N	210.325	4.532	0	10	BJAE	
CSc1cccc(N[C@H]2CCCC(C)(C)C2)c1	83783208	XHHFVYYHZLPJPN-ZDUSSCGKSA-N	249.423	4.789	0	10	BJAE	
Cc1cc(C)cc(NC2C[C@@H](C)C[C@H](C)C2)c1	84462446	PWDGYPLBJXRFGX-KBPBESRZSA-N	231.383	4.540	0	10	BJAE	
C[C@H]1CC[C@H](C)[C@H](NC(C)(C)CC(C)(C)C)C1	85098037	JJQUTBLQEWQVJP-MELADBBJSA-N	239.447	4.616	0	10	BJAE	
c1ccc2c(c1)CCCC[C@H]2Nc1ccsc1	90866263	JPNUCINBWZLGFE-OAHLLOKOSA-N	243.375	4.628	0	10	BJAE	
CC[C@]1(c2ccc(C(C)C)cc2)CCCCCN1	91874439	JNQKSDYWQVWLTF-QGZVFWFLSA-N	245.410	4.579	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1CCC[C@H](C2CC2)C1	94323831	ZVIPPAWXCWDQTD-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC(=O)CC/C=C/c1ccc(SC(C)C)cc1	98128445	RLPWSOFWSSXYKH-FNORWQNLSA-N	248.391	4.570	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)c1ccc(CC)cc1	103935298	YTLJYJJKHCMNLB-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCCc1ccc([C@H](C)NCCCC(C)C)cc1	103982180	OOKLEXHZMRDILC-HNNXBMFYSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@H](C)CC(C)(C)C)cc1C	109781479	KKDVWROZKGDXER-LRDDRELGSA-N	248.410	4.799	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1ccc(C(C)C)cc1	110218338	MSEZMACOGVAWPZ-OAHLLOKOSA-N	233.399	4.507	0	10	BJAE	
CCCCCC(=O)C(CC)(CC)c1ccccc1	110446428	SRHXEHANDGSUMC-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
Cc1ccc(N)c(-c2cc(C)c(C)cc2Cl)c1	128493024	JQIIHFUDTAWKBL-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@@H](C)CC(C)(C)C	133456758	GQVCKDIENPIQKG-ZIAGYGMSSA-N	227.436	4.602	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H](C)C(C)(C)C)CC1	166192388	MCSPSTIAHTYKPF-IYXRBSQSSA-N	238.415	4.844	0	10	BJAE	
CCCC(CCC)[C@@H](NC)c1cc(C)ccc1C	211927491	NRJGJRHUIVBTRO-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1Nc1cccc(Cl)c1	221641689	XHZNOSSNHVUORR-SUNKGSAMSA-N	237.774	4.577	0	10	BJAE	
CC[C@H]1CCC[C@H](CC[C@@H](O)c2ccccc2)C1	227236618	MTQNKHWMJNOAHL-ZMSDIMECSA-N	246.394	4.717	0	10	BJAE	
CCc1cccc(N[C@H]2CCC[C@@H](C(C)C)C2)c1	230986322	VKBGXGQKYRBQHC-WBVHZDCISA-N	245.410	4.876	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	251193353	SXFZQGUKZGGTMP-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC[C@H]1C)c1ccccc1	251290804	RNBMOHIKQCIAMU-PVAVHDDUSA-N	245.410	4.696	0	10	BJAE	
CC[C@]1(C)Nc2cc(Cl)ccc2[C@@H](C)[C@H]1C	258080427	HIPOMCBDXBVEAE-RBZYPMLTSA-N	237.774	4.674	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)C1(C)CCCCC1	302244999	AFEJUKHDYRQYQU-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)C/C(=C\C1CCCCCCC1)[N+](=O)[O-]	304160094	WHYJGYYLFZNOLG-SDNWHVSQSA-N	239.359	4.554	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(C)c(F)cc1Cl	304415916	YWDUHEWNFBMRQS-SNVBAGLBSA-N	243.753	4.778	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CCC[C@@H](C(C)C)C1	305910851	FMMHBVWMCSNKQI-ARFHVFGLSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(N)(C[C@H](C)CC(C)C)CC1	305930847	JSZNRPANHGLNBH-QQFBHYJXSA-N	239.447	4.747	0	10	BJAE	
CSc1cc(Cl)c2c(S)csc2c1	306980691	HAZZPKGDAKKHAZ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CC1CCCC1)NC	308051390	MEMTTYPSDISRDF-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1(CC)CCC1	308056297	PEWRRSFDATXJEQ-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C[C@@H](C)CC(C)C	308062998	UMYPYJDMIYBMJY-XHSDSOJGSA-N	241.463	4.848	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)C)[C@@H](C)C(C)C	309993920	OXAOPKXWYWRGEQ-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](C(C(C)C)C(C)C)[C@@H](C)CC(C)C	310100003	KFOBGQZMULHGPZ-HOCLYGCPSA-N	241.463	4.575	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H](CC2(C)CCCC2)C1	310325178	AIXCUJDZEYEAQY-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCc1occc1C(=O)C[C@H](C)C1CCCCC1	310925038	BCPYGRJHJYKJJR-LBPRGKRZSA-N	248.366	4.631	0	10	BJAE	
CCNCC1(C[C@H](C)CC)CCC(CC)CC1	317122947	DCBASEKJZISVPV-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(C)(C)CNC(C)(C)C)C1	317751398	ABVIPDRUVYNCHX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@]1(CNC2CC2)CC[C@H](C)C1	319127958	BMRUYPLGVWVEFP-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](NCCCCCCC(C)C)[C@@H]1C[C@H]1C	321123016	SGHPIBYZWWFNIO-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC1(CNc2ccc(C(C)(C)C)cc2)CCCC1	381332265	INDIVZHEKXQAMI-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CC[C@H](NC[C@@H]1CC(C)=C[C@H](C)C1)C1CCCC1	382822521	PWSPYFKYQWSQEM-QRTARXTBSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCCCCC(C)C)c1ccccc1C	383130652	CXFILEDYHMPLBX-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CC(C)c1csc([C@@H]2CCCC[C@@H]2C)n1	385007031	MUAXRIKTKGRQGL-WDEREUQCSA-N	223.385	4.560	0	10	BJAE	
Cc1cccc(C)c1NCCC1=CCCCC1	385038449	MXWWMDNHMZPFMX-UHFFFAOYSA-N	229.367	4.606	0	10	BJAE	
CCC(CC)(CC)CNc1cc(OC)ccc1C	395209247	HVXBUHOCRYFVDY-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CCCC[C@H](N[C@@H]1C[C@@]1(C)CC)c1ccccc1	397300010	KENAJNOBGUGTFB-GVDBMIGSSA-N	245.410	4.696	0	10	BJAE	
CCCCc1ccc(N[C@@H](C)[C@@H]2CC2(C)C)cc1	397604489	GXUBJXVTCMAPEF-BBRMVZONSA-N	245.410	4.876	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@H](C)C(C)(C)C	401144619	ZUULGBQSSSHIMI-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@](CCCC2CC2)(CNC2CC2)C1	405946350	CHYYLWNRWMJYAE-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1[C@H](O)CCCC1CC1	406004898	RFAVBSHUAALPBQ-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CCC[C@H](c1nc2ccc(CC)cc2[nH]1)C(C)C	587954673	ANSNNEOZIFAOCG-ZDUSSCGKSA-N	244.382	4.665	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCCCC(C)(C)C	691056701	ZUHCKRXSQGLXIO-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1cc(C)cc(F)c1	691137142	JUWOLSHDBAPXNU-XJKSGUPXSA-N	249.373	4.905	0	10	BJAE	
CCN[C@@H](CC(C)C)[C@H](CC)c1ccc(C)cc1	695078339	MMZZLIDEONRTEM-SJORKVTESA-N	247.426	4.513	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H](C)c1ccccc1	696671772	IMIGQKONWIAXBB-CYBMUJFWSA-N	232.367	4.576	0	10	BJAE	
CC[C@H](N[C@H]1CCCC(C)(C)CC1)c1ccco1	697579544	GCPDCHVNNUPAKX-KBPBESRZSA-N	249.398	4.679	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1CCC2(CC1)CC2	697828383	PEMGVIXCWVBTQD-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H]([C@@H](CC)CC(C)C)C(C)(C)CC	701165402	NGEHLBORJZZXGL-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)[C@H](C)C2CCC2)cc1	701355084	VBPWWAZOFAPOMA-AHIWAGSCSA-N	246.394	4.670	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C(C)(CC)CC	701420655	SNYPMTCKNKJOME-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)CCC1CCCCC1	704615224	UUGDHWZLHWLULV-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CCCc1ccc([C@H](O)[C@@H](C)CC(C)(C)C)cc1	704687233	VSSRJTWZONQORB-XJKSGUPXSA-N	248.410	4.745	0	10	BJAE	
CCC[C@](N)(c1cccc(C(C)C)c1)C(C)(C)C	704936395	AYQUNQCSODJLDD-KRWDZBQOSA-N	247.426	4.810	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CCCC(C)(C)C	704960149	XMSQJEJXDQENII-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(N)CCCCC12CCCC2	707758321	VXTZWWAVGJWKDW-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(N[C@H](C)[C@]23CCCC[C@@H]2C3)CC1	709143334	AKPOSIOBFFGEPG-OHYMQKJLSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@](C)(O)CC(C)(C)C(C)C)cc1C	713183457	OVMKCIMMPGURPE-QGZVFWFLSA-N	248.410	4.583	0	10	BJAE	
CCC(C)(C)C[C@H](O)C1(C)CCCCCC1	713185067	XEYFGOZYEMIUHM-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccc(Cl)c(C)c1	713190386	WPRCZUSSSPITJH-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC(C)(C)C(C)C)C1	713326363	VNZUKVKZMHYZPX-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CCCC[C@H]1C(C)C	718691849	NUABBRLXPUQGPZ-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)C1(C)CCC1	720707319	JJPSPVNQLSDGLK-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)CCC(C)C	1659253714	ICIYDCGMFGHCCP-HUUCEWRRSA-N	225.420	4.536	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1CCC2(CC2)C1	1876379580	HRCMABMURMFHGV-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CSc1ccc(N[C@@H](C)[C@H](C)C(C)C)cc1	1901627800	VBVSVQZFQAZNCZ-NEPJUHHUSA-N	237.412	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)CCC1=CCCCC1	1901688864	LXLFTYIDGSYFGC-QWHCGFSZSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](N)CCCCCC1=CCCCC1	1901965459	XMLQGJGOXJKGFQ-OAHLLOKOSA-N	223.404	4.565	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1CCC(C)(C)C1	1902293225	LKRCKIGIVOTOIY-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCCC(=O)CC[C@H]1CC[C@H]1C(C)(C)C	1902739960	QQKQSEKZJGZSBR-GXTWGEPZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@H](C)CCC	1905451984	BADBANZMTKQZLH-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CCCC=CCN[C@H](C)c1ccc(CCC)cc1	1914681464	DZJLBNUSJLNAED-OAHLLOKOSA-N	245.410	4.646	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCC2(CCCC2)C1	1916403265	WJFWIBBYLXLZKT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](O)(CC)c1ccc(C(C)(C)C)cc1	1919474308	KVCOANQUYASRLI-KRWDZBQOSA-N	248.410	4.772	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H]1CCCC[C@@H]1CC	1919969001	FXFXPGZEFBSJJV-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC[C@H]1CC1(C)C	1921559060	UFAPHHAFCORNOQ-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H](C)C1CCCC1	1924103175	FPJHWXGERVMRIB-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@@H](C)C1CCCC1	1924114618	APSNYUVPXLFMET-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(=O)Cc1ccccc1C(C)C	1940598550	IZESAVBWILLBRY-UHFFFAOYSA-N	232.367	4.502	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CC[C@@H]1CC1(C)C	1940854992	BUPGKAJKSYGAHF-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(O)(CCC[C@@H]2CC2(C)C)CC1	1940872593	NLKZAVYUWKUSJB-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CC1(CCC[C@@](C)(O)CC2CCCCC2)CC1	1940880911	KHHULOUPQZURJL-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)N[C@@H](C)[C@H](C)CC1CCC(C)(C)CC1	1941690992	WKQUUWNAKAOMMY-KGLIPLIRSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@@H](C)C1CC1	1944518439	UWTHDVXUCDQCTC-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](NC)C(C)(C)C1CCCCC1	1944634491	ICNZJQCAFJMHDY-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)c1csc2ccccc12	1945624792	ILHLVKDAYFRBNR-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCCC(C)(C)C1	1947470706	VJPHTJMVGNVZPT-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC[C@@H]1C(C)C	1947516485	UIJIVODTJDBWDC-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@@H]1C1(N)CCCCCCCCC1	1947881355	NNYYEARUSUEEGM-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@H](N)[C@H]2CCC[C@@H](CC)C2)CCC1	1948926651	FCOHDSVXNDOEPJ-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CC1(CC)CCC1	1948981288	PDRBJTFBADSYSO-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@H]2CCC(C)(C)C2)C1	1949498871	YFLRHVBROJOXPC-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC1(C(=O)[C@@H]2CC[C@@H](C)C2)CCCC1	1949505124	IUODCKIVXRWDBH-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC=CC[C@@H](C)c1cc(CC)ccc1OC	1951308822	OQKVXHFPKSWZBG-CYBMUJFWSA-N	232.367	4.717	0	10	BJAE	
C[C@H](CC(=O)c1cc(Cl)cs1)C(C)(C)C	1958190366	DDCMKVSVCXKWLE-MRVPVSSYSA-N	244.787	4.657	0	10	BJAE	
Cc1ccc(N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)c(F)c1	1968326419	HFVWYJVRKZMQTD-NFFDBFGFSA-N	249.373	4.617	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)CCCCC1	1970680127	MJEBAGWCFWNJGP-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CN[C@H](CC)c1cccc(C)c1)C(C)C	1973388425	XCHMPENZFLAFAZ-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
C/C=C/CCC[C@](C)(CC)CNC(C)(C)C	1984630902	WXYOKGKAZARVBJ-HEWZJLJBSA-N	225.420	4.537	0	10	BJAE	
CCCCC1CC(N)(CCCC(C)(C)C)C1	1984744004	DFUMFNZJTFSMOC-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C)c1cccs1	1986949259	WITNSPDPNJVESD-OLZOCXBDSA-N	239.428	4.614	0	10	BJAE	
CC=C(CC)[C@H](NCC)C(CCC)CCC	1992056143	FYORBEBENPNXJE-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC(C)CCCC(=O)CCCCC(C)(F)F	1993601608	XJBYGWYTAKPWOO-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@H](C)C(C)C	1995260167	SYQJQTOLORIZNT-ZNMIVQPWSA-N	228.420	4.636	0	10	BJAE	
C[C@H](C(=O)[C@H]1CCCC(C)(C)C1)C1CCCC1	2000104155	CKLVRHCDFYHHRQ-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@]1(N)CCCCC12CCCCC2	2001570930	BPARVWAWEFKYKI-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@H](O)CC1[C@@H]2CCCCC[C@@H]12	2002197712	IHFHLTXTNVYAJZ-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@](C)(N)C1CCC(C(C)C)CC1	2002925511	OIENCCPSNYJYOM-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC[C@@H]1CCCCCCCC1=O)C(F)F	2003071555	ZXKGMGKIFMIPSQ-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CC(C[C@H]2CCCCCCCC2=O)C1	2003074487	MUHNGDYTUJBNHG-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
C[C@H](C[C@H](N)[C@@]1(C)C=CCCC1)CC(C)(C)C	2003333364	CGUAZRDLCFOVKV-YCPHGPKFSA-N	237.431	4.523	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CCCCC23CC3)c(C)s1	2005589993	RERIOQQVXGXORF-ZDUSSCGKSA-N	248.391	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H]1C1(N)CCCCCCCCC1	2006766503	WUNZUALHMJSFPV-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCCC(C)C)[C@H]1CC	2009248306	HOAJLULCMXKUPE-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CCC1(C)CC1)NC	2009536074	QAYBWKOIKPRZSQ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CCC1(C)CC1)NCC	2009553299	YSDVMVWJMLXSHR-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1CCC[C@@H]1C	2009596599	SPBGHRDLBOZPRZ-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](CCC)CC[C@H]1CN	2009616113	GBVQXVXSKNKLEN-XHSDSOJGSA-N	237.431	4.524	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CC[C@@]12CCC[C@H]1C2	2010972727	YSSDOUWRLRFDNO-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC[C@@]12CCC[C@H]1C2	2011019296	KBYVAERHDFDBDH-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](N)CC[C@@]12CCC[C@H]1C2	2011032582	ZIESDDLLAUKQIH-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@H]1C[C@@H](NCC)CC(C)(C)C1	2012065374	WQLPXEYLBPKJAU-SJKUQHEZSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@](C)(N)CC12CCC(CC1)CC2	2012797477	PSQATSOEMMSHIL-PCKAHOCUSA-N	237.431	4.645	0	10	BJAE	
C[C@]12CC[C@H](Nc3ccc4sccc4c3)[C@H]1C2	2013042501	OKHQZTMXJDZKDK-VNHYZAJKSA-N	243.375	4.502	0	10	BJAE	
CCCC1(CN2CCCCCCCC2)CCC1	2015585070	XIWIWNITHUHWOV-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@@H](C)[C@@H]2C)CCC1	2015641128	AHIIBIRCWBBPTN-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC[C@@H](CC(C)C)NCC)CCC1	2015649107	WUPSGJLRBYUINW-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)CCC=C(C)C	2016145555	PFFKMUKNJKGVMN-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC1(C(C)C)CCC1	2017140654	JTBHQHDRHJQZNV-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCCC1(CN[C@]2(C)CCCC(C)(C)C2)CC1	2017618649	PMHBMUKOSJYMRP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)C[C@H]1CC[C@H](C)CC1	2017722387	PRZSDLBBESKPHY-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2CC[C@H](C)CC2)C1	2017722707	RDRGVANJXIEQEF-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CC1(C(=O)C[C@H]2CC[C@H](C)CC2)CCCCC1	2017771633	XYAMKAHLEBWSKD-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H](C)[C@H](C)C1	2018139317	QNAXXGUKJXTJFN-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CCCC1(C[C@](C)(N)C2CCC(C)CC2)CC1	2018920263	AIDHTVUJQSJCDM-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)[C@H](C)CCC	2018997580	BZMRYQKONDXYEW-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H]2CCCC(C)(C)C2=O)C1	2020394701	WFBMKJVIDSLUJK-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)C1CCCCCCC1	2022483314	KAPRBTDSMVLXJT-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](N)C[C@@H]1C[C@@H]1C1CCCCCC1	2022490303	RQWZOBWNUJMQIC-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C[C@H]1C[C@@H]1C(C)C)NCCC	2022491151	ZBZVFSSVQZEMIB-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1C[C@H]1Cn1ccc2c(Cl)cccc21	2022546573	IJTWSYZZYPEEQB-WCQYABFASA-N	247.769	4.587	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2024097170	XCABVPQDPZBOHJ-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1CC(C)(C)C1(C)C	2025021839	VJVZXHQCJIVMAL-STQMWFEESA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NC)C1CC(C)(C)C1	2026170509	QCTDMHQJQPPQRJ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(N)(C2=CCCCCCC2)CC1	2026896497	MQSISQGPDFJULH-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CC[C@@H](C)C[C@@H]1Nc2cc(C(C)(C)C)ccc2O1	2027872040	WUISMWSZIOVVDL-IAQYHMDHSA-N	247.382	4.551	0	10	BJAE	
C[C@](F)(CCC1CCCCC1)c1cccc(N)c1	2027938240	CVAZHKIDEITGLA-INIZCTEOSA-N	249.373	4.814	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1ccc(C2CC2)cc1	2028593319	LSXSIXMNNZGFHA-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C1CCCCC1	2028931258	STZOTOYYOQHLPX-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CCC[C@@H]2C)CC=CCC1	2032502901	NIUIDRZYALXITJ-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@H]1CC[C@H](F)C1	2032945678	WWSKRCIGEIFBCP-OLZOCXBDSA-N	248.341	4.521	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)C1CCC(C)CC1	2035590490	JKRWYILOQQFDDI-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CCNC[C@]1(CCC2CCCC2)CC12CCCC2	2036106737	OSYRUQUKQJBVHB-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@@H](CCCC=Cc1ccccc1)NC	2036500510	VZMZEQMCYLOTCN-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2036659399	BPNNPFBXWCIGMY-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@]2(N)C[C@@H]3CCCC[C@@]3(C)C2)CCCC1	2036661619	QVUPKPDDPUCHDX-BHYGNILZSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C[C@@H]2CC23CC3)CC1	2037120175	PLDZVTNILQNROQ-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCC2(CCCCC2)C1)C1CCC1	2037161314	ZTUUKITWHIFPOU-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(C(=O)[C@H]2CCC3(CCCC3)C2)CCCCC1	2037680235	XIBHJLZRBNPVLV-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C2=CCCCCCC2)CC1	2039373948	JQQHHPJXQUZRFR-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CCC1([C@H](NC)[C@@H]2CCC3(CCCC3)C2)CCC1	2039719490	IJJNPVDFINKWRH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](NC[C@@]1(C)CC=CCC1)C1CC1	2042071599	IFDUVWLFUCPBNC-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
CC1(c2ccc(C(=O)CCC3CCC3)cc2)CC1	2042744381	IEAPNFBGJZVHLQ-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2CC23CCCCC3)CCC1	2047014894	FFMWETFHKGFTTF-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@H]1C[C@@]1(N)CCCCC12CCCCC2	2047560277	DJIMCJPPXACINK-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc(O[C@@H]2[C@H]3CCCCC[C@H]32)cc1	2049192540	TUVJUGIKJFNUAQ-FVQHAEBGSA-N	244.378	4.768	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CC[C@H]3C[C@@H]3C2)C1	2049512611	USJOUESTTYBPSP-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@]1(CC2CC=CC2)CCCC(C)(C)C1	2049515283	POGSEYJWTVZFLX-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C[C@H]1CCCC2(CC2)C1	2049858050	OEXGIBXKJCOOHW-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(C[C@@H]2CCC3(CC3)C2)C1	2049866010	OECOCMMTOMZOKR-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCCC2(CC2)C1)C1CCCC1	2049938520	RIPFZJUDXXFEGU-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC[C@@H]3CC[C@H]32)cc1	2052287196	VIMIGUFUNNZPFI-DJIMGWMZSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1ccc(CF)cc1	2055668982	GSMCHAWWNDAVDB-GDBMZVCRSA-N	249.373	4.927	0	10	BJAE	
CCCCCCC(=O)c1cc(C(C)(C)C)ccn1	2056053801	QJOPRPZTFWJLIX-UHFFFAOYSA-N	247.382	4.532	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@]3(C(C)C)C[C@@H]23)c1C	2058561661	FZSKRMCGYNNGGY-UAGQMJEPSA-N	243.394	4.540	0	10	BJAE	
CC=CCCC[C@@]1(CNC2CC2)CCCC1(C)C	2059247427	QAAZSSCLPPHWNV-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@H](NCCC)c1c(C)coc1C	2059261916	IFVDOTMHIKIBFY-OAHLLOKOSA-N	249.398	4.684	0	10	BJAE	
C[C@@H]1CC=C([C@@](C)(N)C2CCC(C)(C)CC2)CC1	2060908107	CFWAXSVGUQTXAL-CXAGYDPISA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@H](NCCC)C1CC(C(C)(C)C)C1	2061561891	XLLMXIQTFYTAKI-GPANFISMSA-N	249.442	4.548	0	10	BJAE	
Fc1ccc(CCC2CC(=C3CCC3)C2)c(F)c1	2061729126	SIIXATRKLNYWEJ-UHFFFAOYSA-N	248.316	4.788	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)C1CC(=C2CCC2)C1	2061730305	GTNCGYQCLVPEHM-LRDDRELGSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	2062645488	FZSXNCMUHASRIE-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@H](N)CC23CCC(CC2)CC3)CC1	2065282778	VJLJTJOJGOWXJT-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccnc(C2CC2)c1	2066084235	KKYFHQDKNYKODZ-CQSZACIVSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CC[C@@H]1CNC1CC2(CCCCCC2)C1	2068238256	CXVFPFRVMSLHFY-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](C[C@@H]2CC23CCC3)C1	2069173353	FLIFDLQSMKPYEI-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CC(=O)CC2CC3(CCC3)C2)CCC1	2069280602	MJRBVGWWHBECPB-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCCC1(C[C@H]2CNc3ccccc3C2)CCC1	2069342590	QGEAYJPGXFRMHI-AWEZNQCLSA-N	243.394	4.631	0	10	BJAE	
CCN[C@H](C[C@@H](C)c1ccccc1)C(C)=C(C)C	2072424835	LLZISFKDYFIENX-RHSMWYFYSA-N	245.410	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CC[C@@H]2C2CCC2)CC1	2072796122	LTMNXAVBIBOMOC-MUIFIZLQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC[C@]2(C)C=CCC2)CC1	2072801868	RQPCQTCVVXWYAF-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](CC2=C[C@@H](N)CC(C)(C)C2)CC1	2072808193	DJNCOOHBSWNEES-IIAWOOMASA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCCc2occc21	2073346068	LEINTTPHUHHWAQ-HIFRSBDPSA-N	249.398	4.606	0	10	BJAE	
CCCNCC1(C[C@@]23CCCC[C@H]2C3)CCCC1	2074033826	NOGTVVWQQTUSLF-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)[C@H](C)c1ccccc1	2074779969	KDNXFSAQMOMMFB-PBHICJAKSA-N	245.410	4.648	0	10	BJAE	
C[C@H](C1CCCCC1)N(C)[C@H]1C=CCCCCC1	2074811342	UQTRVYONIURXSY-WBVHZDCISA-N	249.442	4.776	0	10	BJAE	
CCCCc1ccc(CCC(=O)C(C)(C)C)cc1	2077922621	GVJUZKIMIGFCEI-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@]12CCCC[C@H]1CCC2	2079840676	DKIDRYAXSUTEEP-AIANPOQGSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1C[C@@H]1C1CCCCC1)C1CC1	2079859141	AHQBTCMCEBMYSO-ISTRZQFTSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1[C@H](C)NC[C@@H](CC)C(C)C	2081211234	BHEVMBLXEVMYKQ-GOEBONIOSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC[C@@]12CCC[C@H]1C2	2081777509	FEYZFPAVPQGKAE-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CN)CCCCCCCC1CC1	2210525208	NDUUMRHSDZNBAV-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCCCCC2CC2)C1=O	2213578071	ILNSWLVZTIAEDE-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCC1([C@@H](N)CCCCCCC2CC2)CCC1	2213578860	ASWSMDREBKJQPH-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](C)N(C)CCCCCCC1CC1	2213582544	IYHLKGMTFYYZHJ-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
N[C@H](CCCC1CCCCC1)C1CCCCC1	2214778265	SHCJXDNCHMCKNG-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)CC1(C)CC(C)(C)C1	2215377835	MLAVWKMFIHAYAK-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1([C@H](N)CCCCCCCC2CC2)CCC1	2216878506	CVHJCTDIGAZVOW-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CC)CC(C)(C)C(C)C	2217150442	NEASACJFEHOQHM-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)[C@H]2CC[C@@H]2C)cc1	2220563266	UZIMBUPQZZSLHH-WFASDCNBSA-N	244.378	4.603	0	10	BJAE	
CC(C)c1cc(N[C@H](C)C2(C)CCCC2)ccn1	2220883589	SIECDZONTZSSRZ-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)[C@@H]2CC23CCCCC3)C1	2221029496	AIBZSTVEGHSWAT-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(NC[C@H]2CC=C(C)CC2)C1	2221617389	ZWJOOPPVPVCIRG-GTPINHCMSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@@]1(C)CC=C(C)CC1	2221642124	BRXZGCPDFFIXDY-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)[C@@H]1CCC[C@H](C)CC1	2222013738	KZSYDHFXMPLGRX-XGWLTEMNSA-N	245.410	4.520	0	10	BJAE	
CC(=CCCCCCCC1CC1)[C@H]1CC[C@H](N)C1	2223109275	IQKLUKZWSCVEGF-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](c1cccc2ccoc12)C(C)(C)CC	2224179551	BOPZOJYWUZLMFE-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CC(C)[C@H](C)CC(=O)C[C@H]1CCCCC12CC2	2246612568	ZIKMSAVBOUUFHE-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCCCCC(=O)C[C@H]1CCCCC12CC2	2246616338	BOWKZOJSIRJAQT-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
C[C@@H]1CCC[C@H](CCSc2ccc(N)cc2)C1	2246725349	GPKBNCOVRKGZJG-CHWSQXEVSA-N	249.423	4.577	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCC[C@H](C)C1)CC1CC1	2246732712	NBSDSQILNGXIPH-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C1CCCCCC1	2247158959	KAEXJOQZQIQDME-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]1Cn1ccc2cc(Cl)ccc21	2247400453	RCEGCBXKTCFAPA-LBPRGKRZSA-N	247.769	4.731	0	10	BJAE	
CC1(C)CC[C@H]1CCC(=O)CC1CCCCC1	2247447025	XPBYGCHOEBRKNY-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](C)CNC(C(C)(C)C)C(C)(C)C	2247755034	IGLZVHXYGDTRIB-ZDUSSCGKSA-N	241.463	4.719	0	10	BJAE	
CC[C@](N)(CCCCC[C@@H]1C[C@H]1C)CC1CC1	2248868087	ZFJDFWQBMHZCQS-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC1(CCC[C@@H](N)C[C@H]2CCCCC23CC3)CC1	2253805203	FWFDEQWQYKHDCB-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC[C@H]2CCCCC23CC3)C1	2253856006	PBAVCEXDEUGBER-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(NCC2CC3(CCCC3)C2)cc1C	2254084751	SPGLWXPANIVMQT-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CC1CC2(C1)CC([C@](C)(N)CC1CCCCC1)C2	2254458353	GUWZOWRZZORYGU-XOJNLIDHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCC[C@@H]1CCCC12CC2)C1(C)CCCC1	2255245175	KJEFOPXQTABFJR-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CC[C@@H]2CCCC23CC3)CCC=CCCC1	2255263506	IHSABABDCNOBDT-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)CC[C@@H]2CCCC23CC3)CC1	2255289625	XBDUYHBUEZKZIW-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCCC23CC3)cc1C	2255330972	MBSMVZJEWKJNLV-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCC[C@@H]1C(C)C	2256145076	UIGZWPOWBSNPLY-UKRRQHHQSA-N	249.373	4.625	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H]1CNC12CCCCC2	2257362567	SQWGWGYLEYIXOS-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
COc1cc(C)c(C[C@H]2C=CCCCC2)c(C)c1	2257451416	ZCTQCZCYVIQYKM-HNNXBMFYSA-N	244.378	4.601	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)Cc1ccc(C(C)C)cc1	2259438044	VTBFAKFXKJSJKD-WBVHZDCISA-N	248.410	4.540	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@@]12CCCC[C@@H]1CC2	2260491441	WAYWLHHHHGMORQ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCCC1(Nc2ccnc(C(C)(C)C)c2)CC1	2260744271	GOXOEOAETCSDGZ-UHFFFAOYSA-N	246.398	4.514	0	10	BJAE	
CCC[C@H](CC)NCc1cccc(C(C)(C)C)c1	2261409916	WSMPGYLSEYSEPM-INIZCTEOSA-N	247.426	4.652	0	10	BJAE	
CCC(CC)N[C@@H](c1ccccc1)C1CCCC1	2263739622	PBPNSPZYJGRCEC-KRWDZBQOSA-N	245.410	4.696	0	10	BJAE	
CCC[C@@]1([C@H](C)CC2CCC2)CCCCCN1	2298858815	ROAOGLVPHNNAQU-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC[C@]1(CO)CC12CCCCC2	2300675276	CSRRDHZGEWKGQH-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CC[C@H](C)C[C@H](N)CC=C(C)CCCC(C)C	2300875257	SRCWCCLYFDJWFP-GOEBONIOSA-N	239.447	4.913	0	10	BJAE	
CC(=CC=C1CCCC[C@@H]1N)CCCC(C)C	2300901503	JWDGUOKBIZCGDQ-INIZCTEOSA-N	235.415	4.587	0	10	BJAE	
CCN[C@@H](CCC=C(C)CC)CC1CCCC1	2300921234	NUGFBYOXYCJDQP-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(=CC[C@](C)(N)C(C)(C)C)CCCC(C)C	2300926895	PULPTDLKWYDSIT-INIZCTEOSA-N	239.447	4.913	0	10	BJAE	
CCCC(CCC)N[C@@H]1C[C@H]2CCC[C@H]1CC2	2301140910	TUBCFEDJVHJATP-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
c1ccc2c(c1)ccn2CC1CCCCCC1	2301192779	VTUKPBXMRMETAW-UHFFFAOYSA-N	227.351	4.612	0	10	BJAE	
CCCC1(C[C@H](O)CCC2=CCCCC2)CC1	2301941106	GWEKWJOFLFFWPC-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@H](N)CCC1=CCCCC1	2301948154	FYIPXYQQNVSNFW-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCN(CC)c1ccc(-c2csc(C)c2)cc1	2302251937	NDKXKVLXENMQAT-UHFFFAOYSA-N	245.391	4.570	0	10	BJAE	
N[C@@H](CCCCC1=CCCCC1)c1cccs1	2302358939	LNROWZOSMWGJOW-AWEZNQCLSA-N	249.423	4.809	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@H]2CCCC[C@H]21	2302892512	MFBCATVCYYDPOT-MGPQQGTHSA-N	249.423	4.691	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303478589	RVBZGNUGZUKILK-BFHYXJOUSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@@H]1CCC(C)=C(C)C1	2303526354	RPEHRIICPJCRKB-OAGGEKHMSA-N	237.431	4.667	0	10	BJAE	
CCCN(C[C@@H]1CCC(C)=C(C)C1)C(C)(C)C	2303584493	QKEKZXUCBQZWLO-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1CC[C@H]1CCC(C)(C)C1	2304422333	HIRJYTFLNMBXDQ-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@H](N)c1cc(C)ccc1C(C)C	2307507532	FKNVVTBGKLSEBN-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@](N)(C1=CCCCCC1)C2	2308414058	SBUACSHUVLPSHS-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309142094	ZYBLRVSKBQZYSJ-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309147595	HATAMRDVCANVEK-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C[C@@]12CCCC[C@@H]1C2	2311145917	JOBSNOVAJCPGMD-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@@]12CCCC[C@@H]1C2	2311149194	ICAKFYFAXVUFIM-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H]2C[C@H]2C2CCCCC2)C1	2311536799	CHBMMYFEBRXJGQ-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2311717438	BVPUPCDXYDQZFS-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1[C@@H]2C=CC[C@H]1CC2	2313231641	HUAQCWRXBJPFHJ-BBWFWOEESA-N	249.442	4.632	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@@]12CCC[C@@H]1CC2	2313331193	ZDJFIFZOJYIJKL-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	2313599560	KXRQYSRMVQMCPS-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CC(CC1CCC1)=C1CCCNC12CCCCC2	2313667149	UVOXHZHYGXXXCO-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC=CC[C@H](NCCC)c1cc(C)cc(C)c1C	2316532382	OOYMQEQPEOQCAG-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316873130	LOGCMYWLWYJXQT-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@H]2C[C@H]1CC21CC1	2317041466	ZVQXPXOZEMIBFB-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](O)c1ccc(C2CC2)cc1	2317839983	UUCDIALLDPQJEV-OGHNNQOOSA-N	246.394	4.526	0	10	BJAE	
C[C@H]1[C@H](Nc2ccccc2C(C)(C)C)CC1(C)C	2318251603	AGWQYEMFTYXSNQ-SWLSCSKDSA-N	245.410	4.831	0	10	BJAE	
CC1=C(C)C[C@@](N)(C[C@@H](C)C2CCCCC2)CC1	2320263160	KALUACGJGFVPPQ-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H]1CCC[C@H](C[C@@H]2CCC(C)=C(C)C2)[C@@H]1C	2320388441	QHFUVKYUFJZMLV-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)[C@@H](C)C2CCCC2)CC1	2320395517	ADEKCQIAEBIZGY-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CCC[C@H](N[C@H]1CCC(C)=C(C)C1)C1CCCC1	2320420485	QFZCSMJPYFHAJR-IRXDYDNUSA-N	249.442	4.824	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CCCC[C@H]2C)CC1	2320423305	LKKPFLIHWYAFKF-BMFZPTHFSA-N	248.410	4.908	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)c1F)C1CCC1	2327806361	SYASMGMTTPYKAM-AWEZNQCLSA-N	249.373	4.940	0	10	BJAE	
CC[C@@H](Nc1cc(F)ccc1C)c1cccs1	20024223	WSVNYNRSXZDBEK-GFCCVEGCSA-N	249.354	4.759	0	10	BJAE	
CCc1ccccc1N[C@H](C)c1cc(C)oc1C	20438348	BZIQOWJYEKUDIR-GFCCVEGCSA-N	243.350	4.632	0	10	BJAE	
CC(C)CC(CC(C)C)NC1CCC(C)CC1	21019588	UYMAMLVIUBLHJP-UHFFFAOYSA-N	239.447	4.616	0	10	BJAE	
CCCC1CCC(N[C@@H](C)c2ccccc2)CC1	21518463	HKAWACXKEWLPCL-UQPPLGOBSA-N	245.410	4.696	0	10	BJAE	
CCN[C@H](c1ccc(C(C)(C)C)cc1)C(C)(C)C	35548270	RHAZZALYBFMUOT-OAHLLOKOSA-N	247.426	4.681	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N[C@@H](C)c1cc2ccccc2o1	37070835	YZJPZYNDIQVYIS-UPJWGTAASA-N	245.366	4.518	0	10	BJAE	
CCCCC[C@H](NC1CCCC1)c1ccccc1	37186873	NOLMBMSLJZJZFU-KRWDZBQOSA-N	245.410	4.840	0	10	BJAE	
c1csc(CSc2cc3ccccc3o2)c1	39416018	BLSKVBZRAUXABA-UHFFFAOYSA-N	246.356	4.787	0	10	BJAE	
CCC[C@@H](N[C@@H](C)c1ccco1)c1cccs1	49541056	XKENULSTLHZSIZ-NWDGAFQWSA-N	249.379	4.533	0	10	BJAE	
CCCC[C@@H](CC)Nc1cccc(Cl)c1F	68986034	FXZGKBQNCBXFEH-SNVBAGLBSA-N	243.753	4.860	0	10	BJAE	
Cc1c(C)c(C)c(C(=O)[C@@H](C)C(C)C)c(C)c1C	70122545	WJTYTGKBKYUVCD-JTQLQIEISA-N	246.394	4.704	0	10	BJAE	
CC[C@H]1CCC[C@H](CCC(=O)C(C)(C)C)C1	70739989	YXIGGEMFSUSFJQ-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@H](C)[C@H](C)C1	84986424	UAUYAJXIXOZBTN-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CCC1CCC(Oc2ccccc2Cl)CC1	85149894	WPAZZONKYKLKTQ-UHFFFAOYSA-N	238.758	4.688	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCCC1(C)C	86873953	CAVLOPFTNPTTMH-CQSZACIVSA-N	225.420	4.514	0	10	BJAE	
C[C@H](CC1CCCC1)Nc1ccc(Cl)cc1	90372105	OVMJIIFSRQOWHR-LLVKDONJSA-N	237.774	4.721	0	10	BJAE	
CC[C@H](NC)C1CCCCCCCCCCC1	92595515	KBSMVIHLBWMXMD-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCN[C@H]1CCCCc2ccc([C@H](C)CC)cc21	104168763	RAOLUINPZVWJAF-DYVFJYSZSA-N	245.410	4.577	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)(C)C)c1ccccc1	104448939	XCCRGCSXABASSI-ZBFHGGJFSA-N	247.426	4.800	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](C(C)C)CC[C@@H]1NC	110446134	KLIAYDQEELAQBS-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)c1cccc(Cl)c1	114392273	VZKMCHVXXYWDCW-SNVBAGLBSA-N	238.758	4.595	0	10	BJAE	
CCCCCC[C@@H](N)C(CCC)CCC	124853401	XJYHBWJOWIZRLP-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
CCCNC[C@@H](CCCC(C)C)C1CCCC1	128255494	KYQHJBKOFCTFLM-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](CNC(C)C)C1CCCC1	128265781	CECAAPKHIFYOFQ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@@H](Nc2cccc3c2CCCC3)C1	129201654	PMJDFSAZLBPKJK-CQSZACIVSA-N	243.394	4.556	0	10	BJAE	
CCC[C@@H](C)Cn1ccc2cc(Cl)ccc21	129682478	GRIQHLLCOYYALF-LLVKDONJSA-N	235.758	4.731	0	10	BJAE	
CC(C)CCCCCSc1ccccc1O	147944852	BXUJUFGAKFXBSH-UHFFFAOYSA-N	238.396	4.701	0	10	BJAE	
CCCCC[C@H]1C[C@@H](C)CC[C@@H]1CNCCC	155946397	SQDLDVSWLOFCIX-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)c1ccc(C)o1	161958408	FVZMKKUJJRDPHE-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1CCCC1)NCC	162721250	XRENHUPNWRNQMM-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H]1CCC[C@H]1CNC(C)(C)C	166348247	RWXLOFMDDRSNJF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)CC1CCC1	167103411	GXFMODFHHPIROQ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C(CCC)CCC)C1CCCC1	167447954	BCTKRKZIGIRJLX-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)(C)C)C1CCCC1	167504991	VNBPISMRXMGYKC-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)CCC(C)(C)C)CC(C)(C)C	168125549	DEFNVMUSEUVGHV-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)CC1CCC1	225997415	MSWCIVWWXUYVAQ-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CCC[C@H](CC)N[C@H](CCC)c1cccs1	233347601	NFVWOXSJVBXMGM-QWHCGFSZSA-N	239.428	4.758	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCC2(C)CCC2)CC1	233417888	UJAWZQAOIUBQKI-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CN[C@H](C)C2CCCCC2)C1	235397794	DQQITTCKAJQWPC-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@H]1CCCC[C@H]1CC)C(C)C	251699562	IWVLQUJFUMRPAV-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)c1ccc([C@@H]2CCCCN2)cc1F	258487861	YMQPUNUTAIMNJZ-INIZCTEOSA-N	249.373	4.544	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cccc(C)c2Cl)C1	300911477	RWMXQMDKSMPTIW-VXGBXAGGSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(N[C@@H](CCC(C)C)C2CC2)c(C)c1	302438455	AVIIJIYETHEPMF-KRWDZBQOSA-N	245.410	4.930	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@H]1CC[C@@H](C)C1	305974821	ZNTNSJZGLUXWMV-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](CC1(CC)CCC1)NC	308100786	RJNVXYQMTFCQJL-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)[C@@H](CCCC(C)(C)C)C(C)C	309994636	PSODJJUYVFHEJR-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](CCC(C)C)C1CC1	310220935	LFUBRSPZCIEVJD-CZUORRHYSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](C1CCCCC1)C1(CCC)CC1	310408493	WDROUBDTBUZHGT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NC(C1CCC1)C1CCC1	310624806	JHOLNFAHIDAVJI-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](NC(C2CCC2)C2CCC2)CC1	310656631	QAFMXQOMFFAYCG-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)C[C@]1(CNC(C)C)CC[C@@H](C)C1	317904125	JQZISYBLIKUKKT-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCOc1ccc2c(ccn2[C@@H](C)C(C)C)c1	319589388	UTQYNUHUVPHULB-ZDUSSCGKSA-N	245.366	4.647	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](C[C@@H](C)CC(C)(C)C)NC	319605661	XUYPMAKRKACELA-CBBWQLFWSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)c1ccc(CCC)cc1	380640498	SRSRYNCDOCGYOF-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](CCC)C[C@H](C)C1CCCCC1	383622931	AENAVEXFHIVYIA-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@H]1[C@@H]1CCCCN1	385950838	CTIMRIMKWXKXGR-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C=C(C)C)c1cccc2ccsc12	386442867	PEFNMNUXNPJPNZ-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
CCC1(NCC(C(C)C)C(C)C)CCCCC1	389473710	MZLBVIWIASODEE-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)NCC(CC)(CC)CC	391179843	IJYWCCBAQZONPA-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)CCC1CCCC1	395065955	IFAJXNHCKLKOFH-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCCCC(C)(C)C	395111043	BAYJMYIQPZLZOT-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCCCC/C(C)=C\[C@@H]1CCCC(=O)C1	396148295	HAEXJMXMUJADNR-FZDNWWAKSA-N	222.372	4.662	0	10	BJAE	
CCOc1c(Cl)cc2ccsc2c1CC	396194823	VJYFWQBERQEKFG-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc2c(S)ccc(C(F)F)c2s1	396244583	NYJYAOUZYSJGNZ-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1csc2c(C(F)(F)F)cc(F)cc12	396290295	BECKHEUXWBDHEX-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCC[C@H](Nc1cccc(CC)c1)[C@@H]1CC1(C)C	397589258	IBXWHAFKUIJRJH-HOTGVXAUSA-N	245.410	4.876	0	10	BJAE	
O=C(CCC1=CCCCC1)CC(C1CC1)C1CC1	400822049	GIMUWCHQOOJCKP-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1CC[C@H]2C[C@@H]2C1	403358690	XKOUOLSUGKEBMJ-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
c1cc(NCCCC2CC2)cc(C2CCC2)c1	690152781	PJNQOYVPUULTLF-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
C[C@H](Nc1cccc(C2CC2)c1)c1ccccc1	690160748	FSAAFOOUZHEENB-ZDUSSCGKSA-N	237.346	4.737	0	10	BJAE	
CCCCC[C@@H](C)NC[C@H]1CCCC2(CC2)C1	695682016	XZIHOHYWTAGKSJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNC2CCC3(CC2)CC3)C1	695972824	FTNQKOQYZRRHBR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
NC[C@H](CCC1CCCCC1)C1CCCCC1	696848004	HQFSPLNGGCJIAU-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC(=O)c1ccc(SCCCC2CCC2)cc1	701547980	MDYCREKAFJSXIH-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)c1cccc(C(C)C)c1	701548581	IZGHJALAGXLBEL-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CCCCC1CCC(N)(CC2C[C@H]3C[C@@H]3C2)CC1	704658717	ICNFXEYBRFEEQG-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CCCCCC(C)C)C(C)(C)C	704937371	HXHICBRTHGJBRJ-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
C[C@@H]1CC[C@H]([C@]2(N)CCC23CCCCC3)C[C@H]1C	705264960	ILEFZGPQVZAWSP-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(C1CCC1)C1CCC(CC)CC1	707852324	JNABLIWURZWDSW-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@H](C)CC(C)(C)C	709174705	FHCRZGCGLPOUJB-STQMWFEESA-N	228.420	4.636	0	10	BJAE	
C[C@H](NCC1CCCCCC1)[C@@]12CCCC[C@H]1C2	709245909	MMGNQGMGBDMGLS-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@H](N)C1CCCCCCC1)C(C)(C)C	710757721	AKHVFPUTWWWUBH-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C[C@@H](O)C(C)(CC)CC)C(C)(C)C	711066500	MWNLOCIOJOGUBU-QWHCGFSZSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@@]12CCC[C@H]1C2	711220943	GGGXMHZPVBLIQY-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)C1CCC(C)(C)CC1	713145901	OLQOOYZBVKIKOC-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCC[C@@H](C(C)C)CC1	713170228	SCSBKJLCHITEAJ-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)C[C@@]1(N)CCC[C@@H](C(C)(C)C)CC1	713181871	KAGKATVUFHGMNY-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
C=C/C=C\CC[C@@H](NCC)C(C)(C)C(C)(C)C	713681438	FFEFDNHILGSVGM-IWMPZKFUSA-N	237.431	4.559	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)c1cccc(C)c1	713737101	YTCLVVIHXNTHNW-LXXRFIIISA-N	243.394	4.558	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@H]1CCCC1(C)C	713764101	QAVVKXFDALAZAI-KTYGHDLGSA-N	249.442	4.703	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	714423426	KRPZKEXOFAVFTE-RBSFLKMASA-N	236.399	4.598	0	10	BJAE	
CC/C=C/C[C@@H](C)c1cccc(C)c1C	714521115	HJBHWFVIUWDZPA-KTRBRXNASA-N	202.341	4.763	0	10	BJAE	
CCC(CC)[C@@](N)(CC)CC1CCCCC1	720357083	DAMXDAHXLZPSSK-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)C1(C)CCC1	720771331	BTQXWQOPGBCPLP-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccc2c(Cl)ccc(Cl)c2n1	722198529	IVQBMKMSBOHUFW-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CNc1ccc(-c2ccc(C3CCC3)cc2)cc1	723886585	LMQRUWQNQDOKSS-UHFFFAOYSA-N	237.346	4.663	0	10	BJAE	
C[C@H]1CCC[C@@H](CNC2CCC3(CCC3)CC2)C1	1199759165	HGPCVRPBXBDMCH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](SCCC1CCC1)c1ccccc1F	1472982953	DUKYNAWGBYRAFY-LLVKDONJSA-N	238.371	4.810	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1ccc(F)c(C)c1	1474075458	KCONTXQNHRYMFI-SWLSCSKDSA-N	247.357	4.538	0	10	BJAE	
c1ccc(CSCCCC2CCCCC2)nc1	1652127109	VWNUDZIKVYXIGC-UHFFFAOYSA-N	249.423	4.675	0	10	BJAE	
CCC(CC)SCc1sccc1Cl	1652643722	DKURZEPLUGDOJG-UHFFFAOYSA-N	234.817	4.823	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H](C)CC1CCC1	1899419024	XDIGXMIGCDWQJT-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)C1CCCCC1	1905388043	IZEXPRFVQDZKKA-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(CC)CNC(C)C	1905434483	ZBFZZUNKNUBCAA-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC(C)NCCC=CCC1CCC(C)(C)CC1	1912014886	HLWCHFFCMGFPAQ-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C1CC2(CCCCC2)C1	1912630521	LDCJBMRCPYGVJV-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(NC2CC3(CCCCC3)C2)c1	1912690903	KJQXFCIBGPWFPW-UHFFFAOYSA-N	229.367	4.520	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(O)CC2(CCCC2)C1	1912724635	UTXKFSUKRHVXKB-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CN[C@H]2CCC3(CCCCC3)C2)CC1	1915867993	LDUKBMNAOHKHGV-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@H]1CCCC[C@@H]1CC	1919962776	WAKOEKZURMPICS-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)c1ccccc1C(C)C	1919971390	ZLQWCDXQPHJDAG-YOEHRIQHSA-N	248.410	4.844	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@@H]1C=CCCCC1	1925928814	YUDAZQVDKUZXMX-WBVHZDCISA-N	247.426	4.601	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)C1CCC(C)CC1	1925945210	KAHHAKRRQTVKEB-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C(=O)C[C@H](C)CC(C)(C)C)C(C)C	1936211109	NZRGRXURIWEKOP-STQMWFEESA-N	226.404	4.700	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](O)CCCCCC1CC1	1941574465	BASGJCGHNPCAGE-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)CCC1CCCCC1	1942652235	FROUREHGFUQNCB-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CC[C@H](N)[C@]12CCCC[C@@H]1CCC2	1944156466	PXGNURPGWJEFDW-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccc(C2(C)CC2)cc1	1944599014	WQKXEGUQISNRTP-QWHCGFSZSA-N	231.383	4.585	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)c2sccc2C2CC2)C1	1945812936	XSANKVKKNGDILV-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
OC1(CCC2CCCCC2)CCCCCCC1	1947547793	SPJDJUARAWYHPR-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CC[C@@H](CC(=O)C[C@@H]1C=CCCC1)C(C)(C)C	1947558791	MPNGIRDZRREEFT-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
CCC[C@H](CC)NC1C[C@@H]2CCCCC[C@H]2C1	1947854883	BYRVDWGCISJDJO-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCC1(CC)C(=O)[C@@H]2CCCCCCCC[C@H]21	1947874599	FNAFCSMTNIYOJI-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)c1ccc(OCCC(C)(F)F)cc1	1947986984	AADIGCQHLUEOTN-NSHDSACASA-N	242.309	4.624	0	10	BJAE	
CCC1(C)CC([C@@H](N)CCCCCC2CC2)C1	1948404790	DHLFMWZVUYTEFP-PCKAHOCUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC[C@@H]1CCC2(CCCC2)C1)NC	1949552523	RUCPTPHXFXDLEG-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C1(N)CC2(CCC(C)(C)CC2)C1	1950558518	DEJRVGJVNWURJJ-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CNC[C@@]1(CC=C(C)C)CCCC(C)(C)CC1	1950914469	QCNMXBVJPSWLON-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H]1CCC[C@@H](C)CC1	1950930336	OFZNCUKVPZZQSC-QLFBSQMISA-N	238.415	4.844	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cc(Cl)cs1	1958192289	ZAQZROAUDJNZGM-UHFFFAOYSA-N	242.771	4.721	0	10	BJAE	
CC(C)=CCC[C@]1(C)CCCCC1(F)F	1961398387	DWOPLUITGDXOBW-LBPRGKRZSA-N	216.315	4.948	0	10	BJAE	
Cc1cc(C)cc(N(C)C[C@H]2CCC(C)(C)C2)c1	1963023871	XBZYPDILXXHENJ-HNNXBMFYSA-N	245.410	4.566	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@@H]1CCCC2(CCCC2)C1	1967855212	HUCZZYDIYCFEDO-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCc1ccc(N[C@@H](C)C2CC3(CCC3)C2)cc1	1968313418	CHHBQDOZGBLCMQ-ZDUSSCGKSA-N	243.394	4.630	0	10	BJAE	
C[C@H](CCC1CC1)Nc1cccc2c1CCCC2	1968321359	BFJPVWPTTVBVFO-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
CC[C@@H](Nc1cc(C)ccc1F)C1CCCCC1	1968341732	PNJUMRPBPSLCGB-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2[C@H]3CCCC[C@H]32)c1	1968408086	MUNFQXYAVPAYME-FVQHAEBGSA-N	243.394	4.658	0	10	BJAE	
CCN(CCC1CCCCC1)c1cccc(F)c1	1968917585	VEUHVSKQRYVXPB-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@H](C)CC[C@H]1C)c1ccccc1	1969296534	MPJVGXCPNPSNIQ-MUIFIZLQSA-N	245.410	4.552	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](CC)C1CCCCC1	1969916747	DERLSQLBRYDLQH-OFQRWUPVSA-N	239.447	4.760	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)CC1CCCCC1	1973173339	ULEVPRRJFCSRAH-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)C[C@@](O)(CC)C1CCCCC1	1975960162	WNPKOMBJBIKXCQ-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@](C)(CC=CCl)CNCC(C)C	1978649387	UTAVBCNQULKNCU-AWEZNQCLSA-N	245.838	4.571	0	10	BJAE	
C/C=C/CCC[C@](C)(CCCC)CNCC	1984635799	SQFHZCIKUKFCSF-PXTSUWAFSA-N	225.420	4.539	0	10	BJAE	
FC1CCC(CCC2CC(=C3CC3)C2)CC1	1985534568	KYTSWRDSQKQZLJ-UHFFFAOYSA-N	222.347	4.795	0	10	BJAE	
Cc1cscc1NC1CC(CC(C)(C)C)C1	1987813531	UOIIRQCQOWKJDN-UHFFFAOYSA-N	237.412	4.683	0	10	BJAE	
CCCC[C@@H](CC)c1nc(C2(C)CC2)cs1	1990194686	VWLSPXUDQAARBO-LLVKDONJSA-N	237.412	4.878	0	10	BJAE	
CCC[C@@H](C(=O)CC1(CCC)CC1)C(C)C	1990593974	KVQBPGGIXKOCAJ-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(C)=C(C)CCc1cc(C)cc(F)c1F	1994376192	FCLKTLNTVCUUDR-UHFFFAOYSA-N	224.294	4.562	0	10	BJAE	
C[C@H](CCC(=O)C1CCCCCCC1)C(F)F	1996096668	GWXADNQLSVNJHI-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](N[C@@H](C)C(C)C)C1CCC(C)(C)CC1	1996592197	AQBKFODWKLZYLW-ZFWWWQNUSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@H]1CC=CCC1	1997545297	BGNLCEWWWPYGJQ-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
C[C@]1(C(=O)c2sccc2C2CC2)CC=CCC1	1997599082	HBKSBIGUUIXWAY-HNNXBMFYSA-N	246.375	4.555	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@]1(C)CC=CCC1	1997604115	KQIRQRBITHFQOU-INIZCTEOSA-N	236.399	4.908	0	10	BJAE	
Cc1ccsc1[C@@H](N)C[C@@H]1CCC=CCCC1	1999987254	CYLVBSBQBMGINB-KGLIPLIRSA-N	249.423	4.583	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CCCC(F)F	2000378711	HXTZECYRKXEWLQ-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H]1CCCN(CC(C)(C)C(C)C)CC1	2000905433	BUQGUSVRWGQDBT-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CCCC2(C)CC2)C1	2002974998	VQBKBMRKXUQCCY-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CCCC(C)(C)C)C1	2002997435	CNYZPTJNWKFQRJ-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CCCC(=O)c1ccccc1C	2003645959	KGDPXXQZELRIDB-UHFFFAOYSA-N	232.367	4.784	0	10	BJAE	
CCC(CC)CCNCC1(C)CCC(C)CC1	2007684085	YMSSJVUAAZDOTQ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC=CCCCNCC1(CC(C)C)CCCC1	2009589637	BGHYPZAUBKLDCK-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H](C)C1CCCC1	2009616167	GMTFYVNFFCDQOY-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@@H](C)[C@@H](NCCC)C1	2009618458	BWDHQQIKTJRJRG-CLTGJZPWSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)C1=CC[C@@H](C)CC1	2010614989	YFLHHMGDVBZYCI-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](O)(C1=CC[C@@H](CC)CC1)C(C)(C)C	2010711996	FUBNQROEMVNYAK-CZUORRHYSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@](C)(N)CC[C@@]12CCC[C@H]1C2	2011019491	LQHCWXYRGOXYIQ-HRCADAONSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CCCCCC1CC1	2013307711	YUGFRBIXOWNKSL-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@H](C)c1cc(C2=CCCCC2)cs1	2013612470	ZRIGHQDTIOLOOH-GFCCVEGCSA-N	249.423	4.766	0	10	BJAE	
CCCC1(C[C@]2(O)CC[C@H](C)C[C@@H]2C)CCC1	2015640099	OFZHNKKOZVIFAO-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CNc1ccc(C2CC2)cc1)C(C)C	2016106571	OQBLGYFJPSQABO-CYBMUJFWSA-N	231.383	4.658	0	10	BJAE	
CC[C@H](CNc1cccc2ccsc12)C(C)C	2016108607	GFMHCTRCVQKKNB-GFCCVEGCSA-N	247.407	4.995	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@@H]2CC[C@H](C)C2)CC1	2017655040	JOKRHLNVCZHAGY-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](N)(C[C@H]1CC[C@H](CC)CC1)C1CC1	2017728038	GYPMBWRXIFJFQF-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)CCC(C)(C)C)CC1	2017769779	SUDXCHVAWRUZRR-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@H]1CCCC[C@H]1CC	2019204248	VDFUHOGHYAUYGT-OAGGEKHMSA-N	237.431	4.610	0	10	BJAE	
CC(C)CCCCCN(C)C[C@@H]1CC[C@H](C)C1	2019343120	WBBRRESBNRJANK-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C)[C@H](C)C(C)C)CC1	2019383778	FKIBAKQIKQVBJQ-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@H](C)CCC(C)C	2019409114	MSNQAGKRWKCQIO-HZPDHXFCSA-N	241.463	4.958	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H](C)C1CC(C)(C)C1	2019420924	JPXSRZIMJWUTEZ-UONOGXRCSA-N	239.447	4.568	0	10	BJAE	
CCCCN(C1CCCC1)[C@H]1CCC[C@H](C)C1	2020540286	WSFDATPITDRNNK-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@](C)(CNC)C[C@H]1CCCC(C)(C)C1	2024095231	PYWXNHPTZXCLGS-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]([C@H](N)C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2024095496	RGRULBINGCWHMK-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)CCCC2(C)C)C1	2024096519	VKMPQNRUOANPIC-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)c1occc1C	2027301474	JANPMNHCXOOEKG-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCCC1)[C@H]1CC12CC2	2027313527	GPYHPWQYDYWOKI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](N[C@@H]1C[C@H]1C(C)C)c1ccccc1	2028463736	AKJCWRJKESBZKN-YESZJQIVSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1ccc(C2(C)CC2)cc1	2028596009	CHCPGKCIQOFHJG-CZUORRHYSA-N	245.410	4.564	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@H]1C[C@@H]2CCCC[C@@H]21	2028873435	ZBCQFRQIESWLIF-HRCADAONSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)NCC1(CC2CCC=CCC2)CCC1	2028875886	RFCIRRYXQNIKDE-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC1(CNCC2(C3CCCC3)CC2)CCCCC1	2029745442	VWGMEEASYZWFQU-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)c1ccccc1C(C)C	2029823079	GMZOIRXJCBVFAO-YOEHRIQHSA-N	247.426	4.882	0	10	BJAE	
C[C@H](CC(=O)[C@]12CCCC[C@@H]1CCC2)C1CCC1	2031856566	ZKXGLPFLGUBRNB-UNEWFSDZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)[C@@H]2CC23CCC3)cc1	2032132956	SLPMJDBYDOWWQK-DOMZBBRYSA-N	242.362	4.573	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1C)C(C)(C)C(C)C	2032346394	MPLSJLRMKCGPKI-INIZCTEOSA-N	247.426	4.636	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C[C@H]1C=CCCC1	2035603827	WZPHSWFMSHKDGU-DOTOQJQBSA-N	247.426	4.601	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@@H]1CCCCC12CCC2	2035888770	BNMOOKRRBDESEE-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CCC2=CCCCC2)C1	2037171875	OWCVGKYYOVRQBO-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
c1ccc2cc(N[C@H]3CCC34CCC4)ccc2c1	2037477976	NQJJMLXDTSULGD-INIZCTEOSA-N	237.346	4.584	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCC3(CCCC3)C2)cc1	2037671795	IEBNGDVGQFAFCF-HNNXBMFYSA-N	242.362	4.538	0	10	BJAE	
CC(C)(CC[C@@]1(N)CCCC2(CCC2)C1)C1CC1	2041289165	GHOVYAFAFOGSLZ-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CCC2CCC2)c1C	2042748339	WPSBWHSGEKPWRW-UHFFFAOYSA-N	244.378	4.683	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1N[C@H](C)c1ccccc1	2043064723	KNQGTSUGQFAAMI-HLLBOEOZSA-N	245.410	4.696	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CN[C@H](C)CC1=CCCCC1	2043187422	LMSYUVDOQZPWQX-ZMSDIMECSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](N[C@@H]1CCC2(CCC2)C1)C1CCCCCC1	2043604979	KTDJJCONCJVEGG-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC1(N)CC2(CCCCCC2)C1	2046232391	WRVAHBOKKGQWAG-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)CCN1CCCCc2ccccc21	2046580164	ZHNFYKUCDQHXIZ-UHFFFAOYSA-N	243.394	4.576	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C[C@@H]1CCC12CCC2	2047936911	UEUXUFLFELAKRJ-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC1CC(CC)C1)c1ccccc1	2048638539	WNFCOVAINIKLDA-VMBOVVBDSA-N	245.410	4.554	0	10	BJAE	
C(=CC=Cc1ccccc1)C=Cc1ccccc1	2049286258	BOBLSBAZCVBABY-UHFFFAOYSA-N	232.326	4.969	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)[C@H]1CCC[C@@H](C)C1	2049541202	UDFONBOHOJCDMK-BNOWGMLFSA-N	249.373	4.761	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](N)c2ccco2)CC1	2049636799	OYQZWJDIZHCQMY-DZKIICNBSA-N	249.398	4.666	0	10	BJAE	
C1CCCCC(N[C@H]2CC3CCC2CC3)CCC1	2049672274	KPISUNOVTVNGBM-DQPZFDDXSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCCCN1C[C@H]1CCCC2(CC2)C1	2049936169	QJFMSDJCVCMBJL-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CCCC3(CC3)C2)C1	2049949702	AWCMKQRRXYHKAB-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCCC=C(C)C)c1ccc(C)cc1	2050430620	NCJWJXMEQCWWPC-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CCN[C@@H](CC1=CCCCCCC1)c1ccco1	2050523809	XTMFGHCOFHBOBU-HNNXBMFYSA-N	247.382	4.601	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)[C@@H]1CCCCC12CC2	2053416002	NRISDLPYLUEPMP-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CCCC[C@H]1F	2055260285	CZNXLQSJVRPXBV-LSDHHAIUSA-N	248.341	4.521	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@@H]1CCCCC1(C)C	2056879825	WZAVNVWFIJLZDB-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(C2CC(C3CC3)C2)CC1	2057826733	NROYLDGIVBDDQU-YJNKEBTESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@H](C)c2ccccc2)CC1	2058992026	OEBFSSFMHZQIQC-OFQRWUPVSA-N	244.378	4.576	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)c1cccc(F)c1	2059250447	QNRNWTZTHNXQCE-LLCTXKFZSA-N	249.373	4.613	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@]1(C)C=CCCC1	2059252707	KQKBKHYODAQMNI-JSYWMUGDSA-N	249.442	4.847	0	10	BJAE	
C[C@@H]1CC=C([C@]2(N)CCC3(CCCCC3)C2)CC1	2060911417	XWTOMHWYQMTTRN-PBHICJAKSA-N	247.426	4.565	0	10	BJAE	
CCC(CC)(CC)c1nc2c([nH]1)[C@@H](C)C[C@@H](C)C2	2061879305	RHLAJDHKXGBHAU-NEPJUHHUSA-N	248.414	4.563	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCC1	2063486343	IOFYPDAGVCNONG-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC1C[C@H]2CCC[C@@H]2C1	2063498209	XMWGZNBBVXUIBN-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H](C)C1(C)CCCCC1)C1CC2(CC2)C1	2064495102	WWHSWHLIUZNDIR-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2CC23CCCCC3)CCCC1	2067502294	CLBXZWJMVBNAMR-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068778167	HZBAQINBFVGOJP-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)C[C@@H]2CC23CCC3)C1	2069175499	BQHXLMKCZQTNSR-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@]1(C)C[C@H]1C)c1ccccc1C(C)C	2070866803	WIUCRJYMBKMUJN-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
C1CCCC([C@@H]2CCCN2CCC2CCC2)CC1	2071969486	SMGQMBCYHKUKCQ-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCNC[C@@]1(CC(C)=C(C)C)CCCCC12CC2	2072411826	UQNXHYPUVVBBLI-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1cccc(F)c1C	2072426792	UZJIXOOWISGXBD-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(N)CCCC3(CCC3)C2)CC1	2072797791	CNHFQAMWFXHAKN-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CCNc3ccccc32)CC1	2072810094	TUKCYMZHXIGFHZ-KKUMJFAQSA-N	243.394	4.802	0	10	BJAE	
CCC[C@@H]1CNCCC1=CC1CCC(CC)CC1	2072819824	FRKDWIHBWKSUIM-VMBOVVBDSA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2CC[C@@H]3C[C@@H]32)CC1	2072876189	XBPRAYQTKNKMKY-PEHJNBARSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(OC[C@H]2CC[C@H](CC)CC2)c1	2072876446	ARCUAGIQFAWIEN-KOMQPUFPSA-N	246.394	4.844	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@]23CCCC[C@H]2C3)CC1	2074102398	QUFLFSNCDDSBEY-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H]2C(C)=CCC[C@H]2C)CC1	2074638029	AQCAULQFSBGLDZ-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC[C@@H]2C2CCCC2)C1	2074892514	NVFBTPTXVBSMRM-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC2(CCCCC2)C1	2074897313	VAYPDIYMBGUWAD-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CN([C@@H]1C=CCCCC1)[C@H]1CCCC(C)(C)CC1	2075401289	LRNMBSFXTBUEIW-CVEARBPZSA-N	249.442	4.776	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]1C1CCCCCC1)C1CCCC1	2079531426	TZOBQPDPWOWIAH-XKQJLSEDSA-N	249.442	4.514	0	10	BJAE	
CCCNCC(=C[C@@H]1C[C@H]1C1CCCCC1)CC	2079662743	XALJYJRQTBORQW-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
O[C@@]1(C=C2CCC2)CCCC[C@H]1C1CCCCC1	2080097485	FMKXEUCVFKCFPM-DLBZAZTESA-N	248.410	4.598	0	10	BJAE	
O[C@]1(C=C2CCCCC2)CCC[C@@H]2CCCC[C@H]21	2081135543	CSNXSFUTBBCNII-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]([C@@H]1CCCC(C)(C)C1)N(C)CC=C1CCC1	2081796753	WHRBULULOZQERY-GOEBONIOSA-N	249.442	4.633	0	10	BJAE	
CCOCc1cc(CCC(C)=C(C)C)cs1	2210268473	ZJVSOJANCNADOU-UHFFFAOYSA-N	238.396	4.574	0	10	BJAE	
Cc1cc(C)c(C(=O)CCCCC2CC2)s1	2211104892	HTHDNMNUOCASBO-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CCCCC1CC1	2214565906	QTWDBQYWLCNLTN-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1(C)CC2(CCC2)C1	2215390541	ZHENNRZOKSPILK-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@]1(C)CC=C(C)CC1	2215822170	VUSNZGLPIGBAEB-MRXNPFEDSA-N	236.399	4.908	0	10	BJAE	
CNC[C@]1(CCCC(C)(C)C)CC=C(C)CC1	2215833240	FVRLCTSEQQURAZ-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(C)=CC[C@H]1CCCN(C2CCCCCC2)C1	2218165194	HLCPTJUVCHYMEB-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
COC[C@@H]1CC[C@@H](CCC=Cc2ccccc2)C1	2219069740	LFIBXTHHQWPTFU-IAGOWNOFSA-N	244.378	4.543	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C2(C)CC3(CCC3)C2)C1	2221004793	XQVZYAQNNGWBSA-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CCCCCC23CC3)C1	2221027920	KYUBSSUVJQQAFX-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1(C)CC2(CCC2)C1)C1CCC(N)CC1	2221031865	HDEGQHIDDIDTDZ-WLYUNCDWSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)CC[C@@H]2CC2(C)C)CC2(CCC2)C1	2221084679	WOEYDMDFUXKARO-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CN[C@H]([C@@H]1CCC[C@H](C)C1)[C@]1(C)CC=C(C)CC1	2221622207	HKNNRMRXIWYVMG-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)NCC1(CC2CCCCC2)CC=CC1	2223591360	BMEUQPBDXXXOBA-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCc1csc(C(C)(F)F)n1	2245246282	NAYGPLVWGKQNRB-UHFFFAOYSA-N	245.338	4.544	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@@H]1CCCCC12CC2	2246617598	NCQHGSQFUDMAMO-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNC1CCCCCCC1	2247124608	SRLLYGJGIKVYCT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
O[C@H](C=C1CCCCC1)c1csc(C2CC2)c1	2248054092	GQKZPJYPMXZFTC-CQSZACIVSA-N	248.391	4.549	0	10	BJAE	
CCc1cccc(F)c1N[C@H](C)CC(C)(C)C	2248103240	XCSRXZODSLSEIS-LLVKDONJSA-N	237.362	4.625	0	10	BJAE	
CCC[C@H](C)C(=O)c1cc(C)c2sccc2c1	2248568995	OUIRUBQDLYTLPR-JTQLQIEISA-N	246.375	4.829	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2250351755	GIEBADNUAWCSAB-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC(C)(C)C(C)C)NCC	2250355809	NAJRJHNZDUGMOC-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)CNCC[C@H](C)CCCC(C)C	2250494544	BVWKIDPEYXKQEL-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)[C@]1(C)CCN1	2250528758	NTAMJOFRZQFUDA-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
Cc1csc(C)c1C(=O)[C@]12CCCC[C@H]1CC2	2251108142	SOHZNRRUADOMSA-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@@]12CCCC[C@@H]1CC2	2251177792	BDPHNOGXEDNTTK-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1ccc2ccsc2c1	2253090697	ZEUKLNVBAPCNKS-NHYWBVRUSA-N	248.391	4.761	0	10	BJAE	
Cc1ccccc1[C@H](O)CCCCC[C@@H]1C[C@@H]1C	2254532745	LWLHSZXRWPPFJQ-ZMSDIMECSA-N	246.394	4.635	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CC[C@@H]2CCCC[C@H]2N1	2254605498	MYPXATFWOUFIPA-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CC1(CCNC[C@H]2CCC23CCC3)CCCCC1	2254983098	YGNNUOJCOZDBAC-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1CCCC12CC2	2255241771	APMSPHDZDSKSJK-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1CC[C@@H]1CCCC12CC2	2255268194	RIEDGLSUUOXJCH-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@](N)(CCCCC[C@@H]2C[C@@H]2C)CCC1	2257307400	MTGXKEDJMSBGNL-UAGQMJEPSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccccc1C1CCC1	2259465995	YAIODKKGSPPWME-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)Cc1ccccc1C(C)C	2259476549	BJWTXHYOJQVQFI-RHSMWYFYSA-N	247.426	4.506	0	10	BJAE	
C=C=CC[C@H](CC1CC(CC(C)(C)C)C1)NCC	2261125668	IQNURZMSULIDNE-UYSNPLJNSA-N	249.442	4.548	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1(C)CCC1	2300457432	CBWRSDDDGZMBDS-UHFFFAOYSA-N	231.383	4.721	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCC[C@H]1C(C)C	2300703662	IXBOGPDYVMNXTJ-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C1(C)CC=CC1	2300704881	XLWQIBWJIGRRGJ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC=C(C)CC)CC[C@H]1C	2300897479	SXGYRCLILWMDDJ-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C)CCC=C(C)CCCC(C)C	2300901875	ODWOPGMBEXKIPO-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCC[C@@H](CCC=C(C)CCCC(C)C)NC	2300927324	ULWKECMGWPXDGT-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
C[C@@H](CC1CCCCCC1)[C@H]1CC[C@H](N)CC1	2301238906	LCWYAXZVKRGJPP-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCC[C@H]1C[C@H]1C	2302610894	NOJLWUZKQKNLQG-ILXRZTDVSA-N	238.415	4.988	0	10	BJAE	
CCc1cscc1N[C@H]1CCC[C@H](C2CC2)C1	2302891274	AYCYTEPGRDMWND-KBPBESRZSA-N	249.423	4.691	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CCC1(O)CCCCC1	2303464496	FQJGESMHATYKGO-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)C(=O)CC[C@H]1CCC(C)(C)C1	2304436641	MSYODFGZPCZUQC-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1CCC(CC)CC1	2307832090	QGNOPRHQYGEMBA-KNIAUWFNSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CC[C@H](N)c1cccc(C)c1	2307897511	BYGUWHCRGNMFRW-HOCLYGCPSA-N	233.399	4.601	0	10	BJAE	
CCC[C@@H](CC)CN(C)C[C@H]1CCC(C)(C)C1	2307901941	HYFCZBHQPMWURE-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CC(C)=CCCNC[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309184038	YRDZBEGBZCLEHV-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CC)c1ccc([C@@H]2C[C@H]2C(C)C)cc1	2311853164	QBGRSIGTNHSREE-ULQDDVLXSA-N	245.410	4.507	0	10	BJAE	
CCc1cc([C@H](N)CC2CCCCC2)ccc1C	2314694280	JNRUJKGLEQCJQJ-QGZVFWFLSA-N	245.410	4.528	0	10	BJAE	
CCc1cc([C@H](N)CCC2CCCC2)ccc1C	2314701316	BHSOYHVBJQEZLJ-QGZVFWFLSA-N	245.410	4.528	0	10	BJAE	
CCC(CC)CC[C@@H](O)CCc1ccccc1C	2316247352	CTZKYGCNEAMBMT-QGZVFWFLSA-N	248.410	4.505	0	10	BJAE	
CCC(CC)CC[C@@](CC)(CO)c1ccccc1	2316248709	RQDJKWDHHOVXII-KRWDZBQOSA-N	248.410	4.543	0	10	BJAE	
Cc1ccc([C@H](N)CCC2CCCCCC2)cc1	2317014618	AORWYBMFDWMYCV-QGZVFWFLSA-N	245.410	4.745	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@@H]1CC[C@H](C)C1	2317568871	XACYFMNDJPVHCK-WCQYABFASA-N	245.341	4.525	0	10	BJAE	
CN[C@H](C[C@@H](C)[C@H](C)C(C)C)c1ccc(C)cc1	2317832110	SNRAWJUXCVLOPJ-BFYDXBDKSA-N	247.426	4.574	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)CCC(C)=C(C)C	2317901927	SEGACXBAZIVCQG-QGZVFWFLSA-N	249.442	4.992	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)CCC1=CCCCC1	2317905247	WIDFYCFKQJWKIQ-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
CC[C@@H]1CC[C@H](NCCCC2=CCCCC2)[C@H]1C	2318556497	AIKSUZUQTNZLJI-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@@]12CCC[C@H]1CC2	2318586430	JRLIHAJZSUTYSI-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc([C@@H](O)CC[C@@H]2CCC(C)(C)C2)cc1	2319029886	KWUFHJQWSYSGRQ-ZBFHGGJFSA-N	246.394	4.635	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(N)CCCC23CCCC3)C1	2319316539	CTWFTLCSAGIUKF-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](C[C@@H]1CC1(C)C)C[C@@H]1CCC(C)=C(C)C1	2320402881	WPGYVMMTDDYCNU-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CNc2ccc(CF)cc2)CC1	2320414811	UXMTVIQYXLUGQV-OAHLLOKOSA-N	247.357	4.705	0	10	BJAE	
CCC1CC([C@@H](C[C@@H]2CCC(C)=C(C)C2)NC)C1	2320422062	FNXYXLMFMKWBMY-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)C2(CC3CC3)CC2)C1	2321632108	DNTJDEPXCVSJSU-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](N)c1cc(C)ccc1C(C)C	2327678313	SXAKIDYABCIXHO-JKIFEVAISA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)C2(C)CC(C)C2)c1	2327699249	NFAYIHNPIWGUDB-BLDCVEFLSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(-c2cc(C)c3ccccc3n2)cc1	7847483	HSUWUUJEFAVRCQ-UHFFFAOYSA-N	233.314	4.519	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H](C)CCC(C)C	20566228	WPSZBVYMJPTQTQ-KKUMJFAQSA-N	227.436	4.616	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC[C@@H]2C)c1	21011229	IMFKVWVVPAZCNS-XJKSGUPXSA-N	231.383	4.801	0	10	BJAE	
CCN[C@H](c1ccc([C@H](C)CC)cc1)[C@@H]1C[C@@H]1C	35544418	YAICRLFAOSIYCQ-DLTLXFJOSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@@H](NCCC)c1ccc(Cl)cc1	35575168	FUZZXYMRBGDNHP-CQSZACIVSA-N	239.790	4.571	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)C1CCCCC1	36819835	YDNOMUNBGHTREQ-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)c2ccccc2)c(C)c1	37763515	WUVQDHJHRTWDIU-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC[C@H](O)C1	70775690	ANSUJYVMNXLDFB-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1cccc(F)c1C	70978215	PEEIYIJNFPLWOR-DOMZBBRYSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@@H](CC)CNc1cccc(C)c1	71125954	BTDODVMQEFAJPW-CQSZACIVSA-N	219.372	4.623	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2ccc(C)c(F)c2)C1	71154589	IFLXQTYRWVVRSZ-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@H]1CCC[C@H](CC)C1	71157005	IWIMIGUGLOQQOC-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC2CCCCCCC2)[C@@H]1C	86091014	KKWBYHLWHNEBCF-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCCC(C)(C)CC1	86898109	OAFKNRWJWCZJGK-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
Cc1ccc([C@@H](O)C2CCC(C)(C)CC2)cc1C	87941275	ZWYXFJTWMPUZLX-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
CCCCCC(C)(C)CNC[C@H]1CC=CCC1	94985227	NYNUXZAYWRNJOD-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)c1cccc(C)c1	109725870	GURYAGZGCDOPAW-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Sc1ccc(C)cc1N	111744540	YJUXJKGWDKUEIZ-TZMCWYRMSA-N	249.423	4.638	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1ccc(C)c(F)c1	111745963	WFFGGWPUYTTXOI-JSGCOSHPSA-N	248.341	4.533	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@H](C)CC	126783813	RAXYTMBHDGTVOD-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](c1ccoc1C)C1CCCCCC1	132911471	PERZVLILPVLAMB-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CC1=CC[C@H]2C[C@H]1[C@@H](c1ccccc1)OC2(C)C	138819778	HYCLRIZMLWDFJW-ARFHVFGLSA-N	242.362	4.509	0	10	BJAE	
CC1=C[C@@H]2C(=CC1)[C@H](C)CC[C@@H]2C(C)C	149188984	JUQGWBAOQUBVFP-NFAWXSAZSA-N	204.357	4.581	0	10	BJAE	
CC(C)CCC[C@@H](O)c1cc2ccccc2s1	157386618	KPPJGEGMYWLESN-CYBMUJFWSA-N	248.391	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCC2CCCC2)C1	166320786	ZVVAABMUHVXDKM-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc2ccn(CC3CCCCC3)c2c1	166377243	KTGJWUBXSYQSRI-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1Cc2ccccc21	167724566	DLSMRYOFYQTPIM-DZGCQCFKSA-N	244.378	4.502	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)CCO/C=C1/CC=CCC1	207479031	HLOZLHYGUPOUHI-HTVWXKGZSA-N	236.399	4.945	0	10	BJAE	
CCCC[C@H](CC)N[C@H](CCC)CCCC	225982753	NPXBHODVSOODFN-LSDHHAIUSA-N	227.436	4.904	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H](C)CC1CCC1	229670590	GTLTUIKEISYMBW-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@@H](C(C)C)C2)cc1	230986248	QXPHRRFYXOFKDK-NVXWUHKLSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@H](CC)CC1([C@@H](C)NCCC)CC1	232997644	OQCWINPKMGHEMI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@@H](Oc2cccc(Cl)c2)C[C@H]1C	251761260	KFQATFYKUBJJBY-JTNHKYCSSA-N	238.758	4.544	0	10	BJAE	
CC(=O)CCCc1ccc(C2CCCCC2)cc1	259048160	DNDLOCNJOUCHMV-UHFFFAOYSA-N	244.378	4.646	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@H](C)CCC	300846246	AMGVHCPIYMZWTK-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@H](C)CC	300892290	PXEDXRGJENOKQX-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)c1nc2c(Cl)cccc2[nH]1	301005945	YXBAGMHZMSOJLP-VIFPVBQESA-N	236.746	4.510	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1ccc(C2CCC2)cc1	305958954	WJVRDZORHPPBEG-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NC)c1ccccc1C	308047597	IKLNNEIFODJGEC-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CCC[C@@H](CC)N[C@@H]1CCCCC12CCCC2	310322066	ZBNOQHAZVWUHEV-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)C)C(C)(C)C(C)(C)C	310540470	CBCZBULLFAIHRX-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](N[C@H]1CC[C@H](C)CC1)c1cccc(C)c1	310659681	FNPPOGWLKJUJNF-KBRIMQKVSA-N	245.410	4.614	0	10	BJAE	
CCCNC[C@]1(CCCC(C)C)CC=CCC1	316916616	WEKXPTLDEYHCAT-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)CC1CCC(C)(C)CC1	379761084	DPEUCYVJPJEYTA-HIFRSBDPSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1c(C)c(C)cc(C)c1C	380722290	HDTITOAPTAEDBF-DIFFPNOSSA-N	248.410	4.780	0	10	BJAE	
CCC[C@H](C)C(=O)CCCCCC(C)C	383181379	UZEVRALNHXJPEC-ZDUSSCGKSA-N	212.377	4.598	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C1CCCCCC1	384909060	CWLYGPMDCJRANF-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC/C=C/CN[C@@H](CC(C)(C)C)c1ccccc1	385083401	XAHVROXZZLLAOS-DHINHOHASA-N	245.410	4.720	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@H](C)c3ccccc32)c1	385759564	UBBAFJPTDWOGLL-SUMWQHHRSA-N	237.346	4.655	0	10	BJAE	
Cc1cc(NCCCC2CCCCC2)ccc1F	395143194	DHZVEWHLUHMWAV-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCOc1c(Cl)sc2cc(CC)ccc12	396192357	QVBZGKDKEVQANQ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc2cc(S)cc(C(F)F)c2s1	396250286	QWWWEEAVSYWPTJ-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1sc2cccc(C(F)F)c2c1F	396260562	ZALYPOWDEFZBKM-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCC[C@H](Nc1ccc(C)c(C)c1)[C@H]1CC1(C)C	397634290	VOLJWBCGXNIEKV-CVEARBPZSA-N	245.410	4.930	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H](C)C1CCC1)NCC	398746817	YYFAABBOSPTKMC-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@]23CCCC[C@@H]2C3)c1	688938296	UDQKUCRYPCBYHQ-WBVHZDCISA-N	242.362	4.573	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@H](C)C(C)(C)C)c1	688972592	ZKHZBAARWLYBNS-XJKSGUPXSA-N	248.410	4.916	0	10	BJAE	
CCCC[C@](N)(CC)CCC1=CCCCC1	690509934	DKXKGIYTZUEOBP-OAHLLOKOSA-N	223.404	4.565	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCCCC1CCCC1	691091059	UFTVJNUJZDYRCX-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2CC3CCC2CC3)C1	691739000	BJDRXOGOGDLFEB-UMPYDWHISA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC(C)(C)CC(F)F	694691104	GLQDNIGBSUMSNJ-LLVKDONJSA-N	248.357	4.699	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)CCC(C)(C)CC	696693267	VMURUGNUNUKFTQ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC)CCCC(C)(C)CC	696800741	WZTSDCHDUFLHEF-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CC(C)(C)CCC[C@@H](CN)C1CCCCCC1	696831012	KRWYOYPLJAGPQZ-HNNXBMFYSA-N	239.447	4.748	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc(C)cc1Cl	701388941	SPJMUXBWXWQQDN-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
Cc1c(Cl)cccc1OC1CCC(C)CC1	702648588	HIVVGWXDLMLTKB-UHFFFAOYSA-N	238.758	4.606	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCCCC[C@@H]1C(C)C	704461595	UJBCMKVDNGQRPJ-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCCCC=C(C)C)C(C)C	704939599	IADHXJXDFOABAQ-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCN[C@H](CC[C@@H](C)CC(C)(C)C)CC(C)C	709110335	YNOABPQERFPPCQ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@](C)(O)CC(C)(C)C	709125473	NORKXSTXVVVIFY-SWLSCSKDSA-N	228.420	4.636	0	10	BJAE	
C[C@@H](C[C@@H](N)C(C)(C)C(C)(C)C)CC(C)(C)C	709126576	JPOLGGPIVKJQAM-QWHCGFSZSA-N	241.463	4.848	0	10	BJAE	
C[C@H](C[C@@H](C)C(=O)c1ccccc1)CC(C)(C)C	709271662	JVNSFUGHDVVULW-ZIAGYGMSSA-N	246.394	4.968	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)(C)C)C(C)(C)C(C)(C)C	711157892	LXQSIVCPQRFCPA-OLZOCXBDSA-N	241.463	4.719	0	10	BJAE	
CN[C@H](CCC[C@@H](C)C(C)(C)C)c1ccccc1	711238205	BBNVYPUUBHCIPA-GDBMZVCRSA-N	247.426	4.800	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)CC(C)(C)C	713130972	DRHZVFGIUYUHLS-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@H](O)CC(C)(C)C	713171524	XJHPUGRQBZEHRN-IMJJTQAJSA-N	248.410	4.613	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C1CCC(C(C)C)CC1	713174395	LBVGIZVIIIYBAR-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)CC(C)(C)C	713267323	ZNOSXUFBSXUVNO-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C=C/C=C\CCC(=O)[C@]1(C)CC[C@H](C)C1(C)C	713695946	PSHZOJWPVIEDBS-PFOXVCDASA-N	234.383	4.540	0	10	BJAE	
C=C/C=C\CC[C@@H](CCC1CCCC1)NCCC	713766310	YRHGZDRYEGUMAJ-OSJSJHBBSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@@H](CCC(C)(F)F)CC(C)(C)CC	714006997	WDHWYUWLRHTDKS-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1	714298640	NLGGVZRMLWVRSJ-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CCCNC/C(=C\[C@]1(C)C[C@H]1C)C1CCCCC1	714599050	WROLKBFNBQKQBM-OHASWFSBSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@H]1CCC(C)(C)C[C@H]1NCC	717529429	AAKLQCTUASRRMT-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@H]1CC2CCC1CC2	718631718	FXEJRCMOVYWQHN-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCCC(C)(F)F)C(C)(C)CC	718632013	HPFYNYCEBJUGQR-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)CCCc1ccc(C)c(C)c1	718774620	ACYHAMJGWNGIMW-UHFFFAOYSA-N	216.368	4.982	0	10	BJAE	
CNC[C@@]1(C2CCCCCC2)CCC=CCCC1	718995330	FKBBVWCAKDPNCJ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H](C1CCC1)C1CC1	719189658	OFEMURIKFGXEIP-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](NC)C2(C)CCC2)cc1	720712158	ZZVHXUBBELTLTP-CJNGLKHVSA-N	245.410	4.651	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	1205890917	YIFUHSXEHJOQJL-QXSJWSMHSA-N	237.431	4.536	0	10	BJAE	
CC1(C)CCC[C@H]1CNC1CCC2(CCC2)CC1	1461531457	VYVPVNQYJWTYMN-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCCCCc1cc(C)c(Cl)cc1OC	1901883888	ZKMRWOYYPSOAPY-UHFFFAOYSA-N	240.774	4.780	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1CCC(C)(C)C1	1902297499	ZSPSBXCRBJUWSM-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(CC(C)C)CC1	1905301434	LEBXUCXIEFJLKN-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1C[C@H]1C1CCCC1	1910795537	SGWNYSZHFCJZHR-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1Cn1ccc2cc(Cl)ccc21	1910802994	WMGNLDOQCZZHJW-JSGCOSHPSA-N	247.769	4.587	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2C[C@H]2C(C)(C)C)CCC1	1910807435	HQAVCQJJYFNNJP-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C=C(CC)CNC(C)(C)C)CCC1	1911932743	MCSIPGFRBXGWEP-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCCNCCC=C(C)C[C@H]1CC2CCC1CC2	1912117890	LCPGQZOOBOZGIR-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2CC3(CCCC3)C2)C1	1912604169	JAAURGPVFUXKEU-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)CC[C@H]1CC(CC)CC	1916013614	HOCCAGWYNUTBIY-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1(CN[C@H]2CCC3(CCCC3)C2)CC1	1916403641	YRZCOVPQOMBCED-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCC1CCCC1	1920191126	XJQMHXHDRIWANP-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc2c(ccn2C[C@H]2C=CCCCC2)c1	1925795371	SSCKVXLQUMAMQN-HNNXBMFYSA-N	239.362	4.696	0	10	BJAE	
Clc1cccc(CC[C@@H]2C=CCC2)c1Cl	1932592426	IRAADZVPGKUQCC-SNVBAGLBSA-N	241.161	4.892	0	10	BJAE	
CCCCC[C@@](C)(O)CCC[C@@H]1CC1(C)C	1935924964	RMFHUUGNDVVHEN-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](C(=O)C[C@H](C)CC(C)C)C(C)C	1936205711	CWNQKYPCSZIPTJ-ZIAGYGMSSA-N	226.404	4.700	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](C)NC1CCCCCC1	1940247727	DRXLWRYIAKGMRB-CQSZACIVSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1CC1(C)C)C(C)(C)C	1940873169	PUHAVHPMKPIIJD-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@H](CC(C)C)C(C)C	1941267560	UDRZSCBUDRZOBR-HZPDHXFCSA-N	241.463	4.719	0	10	BJAE	
CCc1ccccc1NCCCCCC1CC1	1941575400	AMMFDIXSNIRQEA-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CC[C@H](CN[C@@H]1CCCCCC1(C)C)C(C)C	1941929996	WEWZBKBZIZFYCE-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)NCC1(C2CCCC2)CC1	1942575345	MFRIGSLMTBYNOZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C(=O)[C@H](C)CCC(C)C)c(C)c1	1942661184	MUXIHVDTCVORQK-CYBMUJFWSA-N	232.367	4.558	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NC(C(C)C)C(C)C	1942787039	FAMDBIZGXCFYQX-LSDHHAIUSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](CCC)C1CCC2(CCC2)CC1	1944605119	BOPHSYNUVKZLQH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)c1ccc2sccc2c1	1944622247	KERJYTWZYYOODH-AWEZNQCLSA-N	248.391	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2CCC[C@@H]2C)CC1	1944790710	OLHQIONKVDRRLH-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@H]1CCC(C)(C)C1	1945599398	PKSZJQYXTBSONG-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@]1(O)CCCC(C)(C)C	1947517309	ZQOBSCQMUDBIAS-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CCCCC12CCC2	1947901790	UCOWASHTNCIYJB-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H]2CCC[C@@H](C)C2)C1	1948406584	CEKUXXSCMBMFTB-NNNQGMHWSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H](C)C1CC1	1949073911	FJYGACIBZHIVCL-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](O)C2(C)CCCCCC2)C1	1949401515	DGMSVTZBZJCWLF-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@H]1CNC2(CCCC2)C1	1949543543	KXEJSPNHLWHUFE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C(=O)CC2CC3(CCC3)C2)sc1C	1949842698	FUFFJRXSTNUBHK-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@H]1CCC[C@H](C)CC1	1950925443	TVFQHXBPBXTLBT-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1ccc(Cl)c(Cl)c1	1959209041	MXUMODRVGHJJEO-QPUJVOFHSA-N	244.165	4.594	0	10	BJAE	
CCC1CCC(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)CC1	1965874380	NUVKTDRVVJTEOR-QZRVTLOJSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2C[C@@H]3CCCC[C@@H]3C2)CC1	1967703942	YOBLBDFLTDXECE-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H](C)CCC1CC1	1968284292	FSCDXUFBNLFHDF-SNVBAGLBSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CCC[C@@H](C)C2)c(C)c1	1968395815	BAPPYMJOQFCRES-CJNGLKHVSA-N	246.394	4.899	0	10	BJAE	
CCC1CCC(CN[C@H]2CCC3(CCC3)C2)CC1	1968938084	YBRWFOALLHOAGU-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)N1CCCCCCCCC1	1970125080	GNWQFXOIGLLGSY-INIZCTEOSA-N	239.447	4.857	0	10	BJAE	
CC(C)(C)CCCN1CCCCCCCCC1	1970126006	ODCVRTOPANQBHD-UHFFFAOYSA-N	239.447	4.859	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](CCC)[C@@H]1CC1(C)C	1970831719	ZDMJHWIXGBIZMB-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1Nc1cccc(C2CC2)c1	1972462961	XWTXICHSMNZENF-RDJZCZTQSA-N	243.394	4.801	0	10	BJAE	
Cc1cc(C)c(C(=O)CC(C)(C)C(C)C)s1	1978451638	MUHYENJTRHFJCJ-UHFFFAOYSA-N	238.396	4.620	0	10	BJAE	
C1=C[C@H](CC2[C@H]3CCCCC[C@H]23)CCCC1	1980111176	ZZLXPAKKQJOFEF-KKUMJFAQSA-N	218.384	4.949	0	10	BJAE	
CCCCC[C@H](N)CC1CCC(CC)CC1	1989811840	JIDQZGDZZKSNHN-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(Cl)cc2cc(C3CC(C)C3)[nH]c12	1994129739	FZISQWKLZFHCNG-UHFFFAOYSA-N	233.742	4.643	0	10	BJAE	
Cc1cc(F)c(Cl)cc1NCCC(C)(C)C	1995048859	UUWDQOHIAUTTMX-UHFFFAOYSA-N	243.753	4.636	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)C(C)=C(C)C	1995264741	WNJTXCVFEMIGLI-ZFWWWQNUSA-N	225.420	4.537	0	10	BJAE	
CC[C@](N)(C[C@@H](C)CC(C)C)C1CCCCC1	1996593811	ICXNVRAYMHCSDX-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](C(C)(CC)CC)[C@@]1(C)CC=CCC1	1997551444	LNEMGTUNEJYZLP-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](N)CC1CC(C(C)(C)C)C1	1998239795	KYSQESHPBPSZMP-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CC[C@](O)(CC1CC(C(C)(C)C)C1)C(C)(C)C	1998256190	RYIQRXNPGSDHDH-ZUEPYMLJSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)[C@H]1CCCC(C)(C)C1	2000144637	YUUUJWLYTAIQEZ-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)C[C@H](NC)C1(C)CCCCCC1	2000336744	VKOBAWPMDQLFPR-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CC(C)=C[C@H](C)C1	2000366028	VXFMFCXLKLXMOB-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC([C@@](C)(O)C(CC)CC)CC1	2002923974	DMEUDMKSIYULSL-BCLQGDPASA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC(C)(C)C)C(C)(C)F	2003238554	WYQXKXPUJIPSJS-STQMWFEESA-N	245.426	4.565	0	10	BJAE	
CCCN[C@@H](CCC1=CCCC1)c1cccs1	2003685450	KTEQDAVQHHDIPJ-AWEZNQCLSA-N	249.423	4.679	0	10	BJAE	
CCC1(C)CCC(O)(C[C@H]2CCC[C@@H]2C)CC1	2004352480	LQROFIBVGXFKBY-QRNKSROTSA-N	238.415	4.534	0	10	BJAE	
CC=CC[C@]1(CNCCC)CCCCC1(C)C	2005588194	CEVPCMGVZUEKRN-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCN[C@@H]1C[C@H](CCC(C)(C)CC)CC[C@H]1C	2006940112	ABYXJWSFWOPDAS-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C)(C(=O)[C@H]2CCC2(C)C)CC1	2007682300	XUORBLBTZFCJJB-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](CC)(CNCC(C)C)C[C@H](C)F	2007843010	LEHGNIQKAVYTPP-LSDHHAIUSA-N	245.426	4.567	0	10	BJAE	
CCCN[C@H](CC=C1CCCCC1)CC(C)C	2007946805	NBTRGOSXMHMTDB-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)C1=CCC(C)(C)CC1	2010745136	XQMSXNJHEYAGSY-CJNGLKHVSA-N	237.431	4.667	0	10	BJAE	
Clc1ccc(NC[C@@H]2C[C@@H]3CCC[C@@H]3C2)cc1	2011968383	BJEMAASZAJRCGQ-CLLJXQQHSA-N	249.785	4.578	0	10	BJAE	
CCC(C)(CC)C(=O)C(F)(F)C1CCCCC1	2012957093	MEJMTMKVYDENJM-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC1(C[C@@]2(O)CCCC(C)(C)CC2)CCC1	2015596871	WPPBLSOVMXZIBD-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC1(CC[C@H](N)CC2CCCC2)CCC1	2015641491	FVUGQBFUNPPCIC-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCC1CCC(C[C@H](O)C(C)(C)C(C)C)CC1	2017652692	JWJJPVGMZBGWLU-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(C[C@@H](CCC)CNC)CC1	2017729665	YZBNIMXXOHWJBB-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(C=C(C)CCCNC)CC1	2017736855	IMKVKCHTXQDYQD-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2nc(C3(C)CC3)cs2)C1	2018312938	UHZZAWZYUKFRGV-NWDGAFQWSA-N	249.423	4.878	0	10	BJAE	
CCCC1(C[C@H](O)C2CCCCCCC2)CC1	2018973146	JRMAHNLCFMYLFY-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CC1(CC)CC1	2018986649	CAQANKRSEXFUNV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCCCN(C)[C@@H]1CCCC(C)(C)CC1	2019289827	FAMUXEVEMFKIRI-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)C[C@@H](C)C1CC1	2019683333	JRSLLDAJCAZGFR-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2022414995	OTIHMEASONZYSQ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CCCCC(C)(F)F	2023297889	UOIKJIBXQCIUEM-CHWSQXEVSA-N	249.389	4.746	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCCC(C)(C)C	2023339401	MHMCGRXOACRURB-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(O)CCCC2(C)C)C1	2024128560	NPDUPNCZGLGPPR-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@H]1CCCC(C)(C)C1	2024128629	OAOCQPFEEYEYJA-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H](C(C)C)C1	2025635845	XTTPEWNTLIYDMK-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	2026081580	LQVKTQHKTCENRM-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(-c2nc(C3CCCC3)cs2)c1	2026603651	QPWDDEOISIGKEP-UHFFFAOYSA-N	243.375	4.776	0	10	BJAE	
C[C@H](c1ccccc1F)N(C)C1CCCCCC1	2026912936	ZDDWUNVAPNOUDP-CYBMUJFWSA-N	249.373	4.541	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H]1CCC12CCCCC2	2027023192	CBNKUAAIZMKPMI-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)c1ccccc1CC(C)C	2028915836	SXFUQUNETJNIRW-ZQIUZPCESA-N	247.426	4.567	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC1CC(C2CCC2)C1	2029282607	HHKQZPYWEISOBH-IGEOTXOUSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC2(C3CCCC3)CC2)C1	2029737995	LPLBXTZWUHTDSH-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(NC[C@@]23CCCC[C@@H]2CCC3)CC1	2031807594	GLOABRYLIDQDOM-MYBQVCMBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1C[C@H]2CC[C@H](C1)C2	2033100316	KKIMBLDAEUEZLN-YXWQFLTLSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(NC23CCC(CC2)C3(C)C)CC1	2033414536	YBGCFJVUFXHECS-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)c1F	2035413110	UVYWOVRFMMXZSH-KYOSRNDESA-N	249.373	4.617	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](N)(CC2CC3(CC3)C2)C1	2036724330	LMEDCWNYOAKMPP-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1c(C)oc2ccccc12	2037093968	XQCZHHIPNFJXEL-RISCZKNCSA-N	245.366	4.567	0	10	BJAE	
N[C@@]1(C2=CCCCCC2)CCC2(CCCCC2)C1	2037100699	GGCRZMVGRRJBRL-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC1(C)CC[C@@H](n2ccnc2C2CCCCC2)C1	2037679088	OZMVZFHDOMPJPL-CQSZACIVSA-N	246.398	4.682	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](N)[C@H]1CCC2(CCCC2)C1	2037684838	CANSOFFZIVHEQC-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(NC[C@H]2CCC3(CC3)C2)CC1	2038580248	TYAVRFXIIVDJPW-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CC1CCC2(CC1)CC(NCCC1CCCC1)C2	2038933388	MXIATUCIOCEHBK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cc([C@@H](N)[C@@H]2CCCC(C)(C)CC2)c(C)o1	2039358126	ZCCPSJXFQFXKSQ-HIFRSBDPSA-N	249.398	4.503	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NC1CC2(C1)CC(C)(C)C2	2039462143	PAFTXHMOOTUQRY-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CCC2)C1)C1CCCCC1	2041289024	FICGBOSIEPUEHX-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@]2(C)CC=CCC2)cc1	2042099510	VEHBRJWBCKJYRN-KRWDZBQOSA-N	242.362	4.739	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC(C2CC2)C2CC2)C1	2045449955	MHVPSGHQMPWTEQ-AWEZNQCLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1c1ccc(C(=O)CC2CCCCC2)o1	2045562053	NJBZAIQYEGZIPI-YPMHNXCESA-N	246.350	4.556	0	10	BJAE	
CC1(c2ccccc2C(=O)CCCC2CC2)CC1	2045610098	PVRUSBWYGLPOCV-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CC12CCCC2)C1CCCCC1	2047065369	MOIOECCTPHPHTH-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@H]1CCC12CCC2	2047938896	JMSPPTAITLWIHN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048468567	IOAJQLROJVHXMY-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
C[C@H](NCC1(C)CC=CC1)[C@H]1CCCC(C)(C)C1	2049539787	JAXGWVFTBURFGL-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1CCCC2(CC2)C1)C1(C)CC1	2049863207	XSEKCPQCJDDNBH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@H]2CCC3(CC3)C2)CC1	2049864031	IJMXWFZHFOSTTB-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C[C@H]2CCCC3(CC3)C2)C1	2049934339	WKZRMVGODVAZQJ-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](N)CCCC(C)(C)C2CC2)cc1	2050428925	GKEBXASKECQDGM-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
C[C@H]1CC(C[C@@]2(N)CCCCC23CC3)C[C@H](C)C1	2053314417	FIBOQQZRNOZZAN-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](NC[C@H]1CCCCC12CC2)C1CCC1	2053436570	NNKIOZPUBFAPEN-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC=C[C@@H]1NC1CC(C)(C)C(C)(C)C1	2055525218	GVEKAGZKCMZLQV-AWEZNQCLSA-N	249.442	4.536	0	10	BJAE	
CC[C@H](N[C@H]1CCCC=C1C)c1ccc(C)cc1	2055667925	ABNYTUJOZSQETL-IRXDYDNUSA-N	243.394	4.535	0	10	BJAE	
CC1(C(=O)CC[C@H]2CC2(C)C)CCC2(CC2)CC1	2056535850	JZGDPNGCPMMOIT-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
C[C@@](N)(CC1CC(C2CCC2)C1)C1CCCCC1	2056641208	XCHIWCCURJELOQ-PUJMQQBBSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1C[C@H]2CCCC[C@H]21	2059225642	PDQYPILKUBWQFQ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1ccc(C)cc1F	2059260257	WOHQQLGFMGQRQI-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
C[C@H]1CC=C([C@@H](N)C2(C)CCC(C)(C)CC2)CC1	2060926794	TVNVBOCYVLQQJF-DZGCQCFKSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC=C([C@@H](N)[C@@H]2CCCC(C)(C)CC2)CC1	2060930143	QIVQCFUJNRXLPJ-FMKPAKJESA-N	249.442	4.667	0	10	BJAE	
C[C@@](O)(CC1CC(=C2CCC2)C1)C1CCCCC1	2061681940	FVBGSPFIEJINOQ-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C=CCCC1	2063414854	MLVXIYPQDQXMAQ-PNBKFKSVSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC[C@H](CC2C[C@@H]3CCC[C@H]3C2)C(=O)C1	2063523532	CSERYPMPUYVXGR-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(=O)C[C@H](C[C@@H]2CC3CCC2CC3)C1	2063717733	ROSUKINFLJMASP-SHWKFHJASA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@H]1CCCCCC12CC2)C1(C)CCCC1	2067519163	DFXZJJHUGCVWME-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](N)c1ccccc1C(C)(C)C	2068822734	LZUMHUWAXQKNNQ-XJKSGUPXSA-N	247.426	4.666	0	10	BJAE	
CC(C)C(C[C@H]1CCNc2ccccc21)C(C)C	2069004431	RDFFOJPYXCGCCA-CQSZACIVSA-N	245.410	4.904	0	10	BJAE	
CC1CCC(CC(=O)C2(CC3CCC3)CC2)CC1	2069581179	PKTQXTLCKPGDIC-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@@H]1C(C)(C)C)C1CC=CC1	2070807227	IDZRDRNJKJLWQH-CWRNSKLLSA-N	249.442	4.536	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@]23CCC[C@H]2C3)Nc2ccccc21	2070867824	JJCHMQZJFIHDJU-OEUWWYETSA-N	241.378	4.555	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](NC)c2ccccc2)CC1	2072701199	VXLHDXQJCUOTBR-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CCC1(CC(=O)c2cccc3ccccc23)CC1	2074572441	HEBZXZYOJYEPGY-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@H]1CCC2(CC2)C1	2074634272	OMSNKZLMADTWBN-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](NC)C2CC3(CCCCC3)C2)CC1	2074648592	KKRGQGHBZDWANA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@@H](C)C1CCCCC1	2074781998	XHTAFEGILCUTRC-GJZGRUSLSA-N	245.410	4.648	0	10	BJAE	
CCN(c1cccc(C)c1)[C@@H]1CC[C@H](C)[C@@H](C)C1	2074802384	OEQFERJCTLRLIQ-YQQAZPJKSA-N	245.410	4.646	0	10	BJAE	
CC[C@@](O)(CCC1=CCCCC1)c1ccccc1	2075714088	AYCYMPYTXQSLSQ-QGZVFWFLSA-N	244.378	4.565	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@@H]1C[C@@H]1C1CCCCC1	2079426515	BLVYLQPQOHBRDP-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@H]1C[C@@H]1C1CCCC1	2079488796	VVPBVWIDPDLTSF-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)c1ccc(C2CC2)cc1	2079852773	SAOWTJJYNVNAOI-CVEARBPZSA-N	242.362	4.573	0	10	BJAE	
CCCC1(C[C@@H]2CCCNC23CCCC3)CCC1	2083811224	WZPDWIMSGDXMQI-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1C[C@@H](CCC2(F)CCC2)Nc2ccccc21	2084766029	BASUEQHQKCJHKD-CHWSQXEVSA-N	247.357	4.647	0	10	BJAE	
CCC[C@@H]1CCC[C@H](n2ccc(C)c2)CC1	2211149069	OWQSHHIXDMVDCY-CABCVRRESA-N	219.372	4.718	0	10	BJAE	
CCCC(=O)CCCCCCCCC1CC1	2212443913	XOZCXUGDRMBTCA-UHFFFAOYSA-N	224.388	4.886	0	10	BJAE	
CC(C)[C@H](C)CN(C)CCCCCCC1CC1	2213578859	ASPYBIGDESCWDH-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](CC(C)C)C(F)F	2213853712	DAPWWTJCQIWZKT-STQMWFEESA-N	249.389	4.615	0	10	BJAE	
C[C@H]1CC(C(=O)CCCCC2CC2)C[C@H](C)C1	2214553258	RNHVYNDFYYLXQS-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](O)C1CCCCCCC1	2215235186	AUUMZLYQGLGQKJ-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@]1(CC[C@@H]2C[C@@H]2CC)CCCCCN1	2215259553	ZBKDRRNYNCJQHG-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)C(C)(C)C1CCCCC1	2215333788	QEQJHFOPGLUCEG-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC1(C)CC2(CCC2)C1)NCC	2215399928	AIWQKBLGDUOBNM-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@@]1(CN[C@H](C)CC)C=CCCC1	2217154382	TZCLSMFROORCKF-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](CC2C[C@H]3CCC[C@H](C2)C3)C1=O	2218335300	UZWZLMLKNWSPMN-RZLSGREXSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@@H](N)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218350410	LIJLTHQABAQUEO-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@](N)(CC2(C)CC3(CCC3)C2)CC[C@H]1C	2221036279	BFOKOAOTXTWLPU-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
C[C@]12CC[C@H](NCCCCCCCC3CC3)[C@H]1C2	2223118914	NOHBSVXOFHTQIH-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)CCCC[C@H]1C[C@H]1C	2243065673	GQLHYBSZFGZFGA-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@](C)(CO)CC[C@@H](C)CCCC(C)C	2244870096	XQLMBGIPWLXEJT-GJZGRUSLSA-N	228.420	4.638	0	10	BJAE	
Cc1csc(C(=O)CC[C@H]2CCCC23CC3)c1	2247642734	GUQLSVJRDSKMIL-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCSc1ccc(N)cc1	2248840099	LPJCIZOCJQWWCO-QWHCGFSZSA-N	249.423	4.577	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1(C)CCCCC1)NC	2250352302	KXXUULTYWUPRHE-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC1CC2(CCCC2)C1	2250362493	VIDJGCRNWRCUNM-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CN)CC[C@H](C)CCCC(C)C	2250467298	PGKQVUQSSKMGRO-OAHLLOKOSA-N	241.463	4.994	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(N)C(C)(F)F	2250469876	UFPPCZZSBJAOOO-CHWSQXEVSA-N	249.389	4.602	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C[C@H]1CCCCN1	2250478271	HENOVNMVUBKCQN-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@]1(N)CC[C@@H](C)CCCC(C)C	2250518397	SALCMPFRCWPGSH-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1ccc2ccsc2c1	2253090696	ZEUKLNVBAPCNKS-IAQYHMDHSA-N	248.391	4.761	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)c1ccc2ccsc2c1	2253131236	CZCPLHXHQOZWCE-LBPRGKRZSA-N	244.359	4.520	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)CC[C@H]1CCCCC12CC2	2253798566	XMLCCJQYPHBDOX-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CC1CC2(CCCC2)C1	2254113420	JKLBJPNPKKNQCU-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CCCC[C@@H]2C[C@H]2C)c1	2254606451	FXALIPXGHKOBMA-INMHGKMJSA-N	245.410	4.520	0	10	BJAE	
N[C@H](C[C@H]1CCCC12CC2)C1=CCCCCCC1	2255230814	ZOQLHOSCHZLNMN-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)CC[C@@H]1CCCC12CC2	2255254990	ZWNPYSGQHKOVQG-LZWOXQAQSA-N	249.442	4.501	0	10	BJAE	
CC1(NCC[C@H]2CCCC23CC3)CCCCCC1	2255274582	AFNQWLBGLVAVGT-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCc1cccc(F)c1NCCC1CCCCC1	2256113487	CQCMGSJZJQHLRW-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CC[C@H]3C[C@@H]2C3)c1	2257954662	CYVORKJIYLVCAD-DVOMOZLQSA-N	243.394	4.585	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)C[C@]23CCCC[C@@H]2CC3)C1	2260669925	JDQUUCRUOPMYFC-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC1(C[C@]23CCCC[C@@H]2CC3)CCC1	2260679164	PSURYZJTOAGAJI-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC(=CC1CC(CC(C)(C)C)C1)C[C@H]1CCCN1	2261306072	ZUSJODKGGWMDKL-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)[C@@]1(F)C[C@@H]1C	2298649810	WVTVISVSAYRBTI-VNHYZAJKSA-N	242.378	4.546	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@@]12CCC[C@@H]1CC2	2298687097	SJHBIYBJKCCLTK-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@@H]1CC=C(C)CC	2300898420	DILURVXZTJYWAF-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCNCCC=C(C)CC1CCCCCC1	2301236792	POGMCEXIJSWIBD-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCC1CCC(C[C@](C)(O)[C@@H](C)C(C)C)CC1	2301919246	MUGIKRZAKHETBE-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
Cc1csc(C)c1C(=O)CCC1=CCCCC1	2301920507	CWEKCBVINPMEPA-UHFFFAOYSA-N	248.391	4.828	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)C[C@@H]1CCC=CCCC1	2301937320	DBKKOJHNFQJZQZ-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
CCc1cc(N[C@@H](C)[C@@H](C)C(C)C)ccc1C	2301960270	AFNHCFBGMHPOHZ-KBPBESRZSA-N	233.399	4.650	0	10	BJAE	
CCCC(N)(CCC)CC[C@@H]1CC[C@H]1C1CC1	2303154353	JTYLLYOEWPABAX-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](O)CCC(C)(C)C)CC1	2303595972	ZOMCXYIGZFMITN-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CC)CN(C)CC1(C(C)C)CCC1	2307750017	QDIHPXRPVOWIEO-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@@H](C)[C@@H](NCC)C1	2307908858	RPNHLHWNCHBBJX-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CCC1CC(C)C1)NC	2307911002	RBTXRZPBGSECIM-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@H]1CC[C@@H]2C[C@@H]21	2310902493	VXBWLDMBNQLWPE-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@@H]1C[C@@H](C)Nc2ccccc21	2311571938	UDEQGUAQWDRGBK-CTASWTNQSA-N	243.394	4.657	0	10	BJAE	
CCC(CC)CC[C@H](O)c1ccc2occc2c1	2316241800	XLNOBMFNBPDWLR-HNNXBMFYSA-N	246.350	4.683	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@]2(C)C[C@H]21)CCCC(C)C	2316533328	YCLRUJXMZXLUPQ-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CC(=CC=C1C[C@H](C)CN[C@H]1C)CCCC(C)C	2316537683	RUWGQPZUTURESD-HOTGVXAUSA-N	249.442	4.703	0	10	BJAE	
N[C@@H](CCC1CCCCCC1)c1ccc(F)cc1	2317020634	IESZESQMDNYAEB-INIZCTEOSA-N	249.373	4.576	0	10	BJAE	
CC(C)[C@H](N[C@H](C)[C@@H](C)C(C)C)c1ccccc1	2317662804	FCMUCDXPROWPLZ-UXLLHSPISA-N	247.426	4.654	0	10	BJAE	
C[C@H]1[C@@H](C(=O)C2(C)CCC3(CC3)CC2)CC1(C)C	2318241157	OEVADOOBXCJXBA-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@H](NCCCC2=CCCCC2)C1	2318530737	DOILHUMMCNYMAT-BFYDXBDKSA-N	249.442	4.681	0	10	BJAE	
C1=C(CCCN[C@@]23CCCC[C@@H]2CC3)CCCC1	2318547722	FKXALPMSGXEAEO-IAGOWNOFSA-N	247.426	4.579	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2319124551	TZLHAKQHVIHENW-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@](C)(F)c2ccc(N)cc2)C1	2319327588	XSIWHBMUJBVZAL-MLGOLLRUSA-N	249.373	4.670	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC(=O)[C@@]12CCCC[C@@H]1C2	2320226418	NTMGVPAIMVUNRG-VWPFQQQWSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C[C@@H]2C[C@@H]2CC)cc1	2320330951	MVTIQNQZLOEZJP-MGBSGCIJSA-N	245.410	4.636	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@]1(C)C[C@H]1C	2320402359	RGYVCAARTMEPIZ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@@H]([C@H](CC2CC2)C2CC2)CC1	2320697571	QCMZRQLRMRUKEU-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(Nc2cccc(C(C)C)c2F)CC1	2327778904	VPNNRGHVURLUEF-UHFFFAOYSA-N	249.373	4.940	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](NC)c1ccccc1C	2328292057	KKFJRSFMYWHLRW-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CCC(CC)(CC)C(=O)C(C)(C)C(C)(C)C	2018436	BUAHEEAPBZIWMZ-UHFFFAOYSA-N	226.404	4.844	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)c1ccc(C)cc1	35466248	KIAHJHBOQMVSGY-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)c1cccc(C)c1	37267264	PDGWJQMMWVEWRL-GJZGRUSLSA-N	233.399	4.614	0	10	BJAE	
CCCC[C@@H](CC)NCC1CCC(CC)CC1	69377994	ZWYYFUZJKVARND-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](C)c1sccc1C	69637100	UQXWLMXYBAHVGZ-RYUDHWBXSA-N	239.428	4.532	0	10	BJAE	
Cc1ccc(OCc2cccc(Cl)c2)c(C)c1	70236358	OFEFPNMMGUUDRX-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCC[C@H]1NC[C@@H](C)c2ccc(C(C)(C)C)cc21	84228716	YISHQLFBQHQRJG-MLGOLLRUSA-N	245.410	4.532	0	10	BJAE	
CCCC[C@@]1(O)CCCC[C@H]1C1CCCCC1	87164009	JOWQHNHEEQJFHR-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](Nc1c(C)cccc1Cl)c1ccco1	90496831	IKRIOQWGIJYTSR-GFCCVEGCSA-N	249.741	4.805	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Sc1cccc(N)c1C	91941720	IJXIVYVIDMIGLW-IUODEOHRSA-N	249.423	4.638	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(C(C)C)cc1	104152804	QULZNFBWDGZHNT-MRXNPFEDSA-N	233.399	4.780	0	10	BJAE	
CCCCc1ccc([C@@H](C)CC[C@@H](N)CC)cc1	107478683	WSNWYKIKAWFUFI-YOEHRIQHSA-N	247.426	4.650	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)c1ccc(C)cc1	109705110	NVGJIDDOUGHQOJ-DOTOQJQBSA-N	247.426	4.775	0	10	BJAE	
CCCCCC[C@]1(CNC2CC2)C[C@@H]2CC[C@@H]1C2	110197026	ZSHZVCURNDCIQT-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CCC([C@H](N)C2=CCCCC2)CC1	110228347	HMYQPXRKZXUASX-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc2ccccc2n1	110382684	PSPMSXLOQDPAJE-ZDUSSCGKSA-N	242.366	4.616	0	10	BJAE	
CCCC(CCC)[C@@H](O)C1CCCCCC1	124207074	HVVQLKVTUMIEMO-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC1(O)CC(C)(C)CC(C)(C)C1	124982798	DDMQAFGEYQLKHZ-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1cc2ccccc2o1	128095869	JYUCCGZKLBGNIC-BLLLJJGKSA-N	245.366	4.649	0	10	BJAE	
CCCN[C@H](C)c1ccc(C(C)C)cc1Cl	135040078	HSLKAXGHBDIDEG-LLVKDONJSA-N	239.790	4.524	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)c2ccc([C@@H](C)CC)cc21	136927013	ZAVCXGLJSATEFO-GDZNZVCISA-N	245.410	4.748	0	10	BJAE	
CC(C)(C)[C@@H]1CCc2ccccc2N1C(C)(C)C	143182855	UCRGXNVNIUZYGH-HNNXBMFYSA-N	245.410	4.652	0	10	BJAE	
CCCC[C@H](N)c1c(CC)cc(CC)cc1CC	147889928	BBLUKHBLWIMREW-INIZCTEOSA-N	247.426	4.564	0	10	BJAE	
CCC(CC)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O	149478458	ZLRQYXOBHDEGMV-YUELXQCFSA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@@H](O)c1cc2ccccc2o1)C(C)(C)C	159228495	UBLAPCWWGQMULM-DGCLKSJQSA-N	246.350	4.539	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)c1cccc(CCC)c1	166204249	WVHHUVVVBUVTBI-LSDHHAIUSA-N	247.426	4.521	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cc(Cl)ccc1C	168029476	BGFHLOPIARGSFU-JTQLQIEISA-N	238.758	4.657	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@@H]1CCC[C@H](C)C1	168976847	KOIASAOTKWQJNX-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
Cc1c2c(cc3ccccc13)C[C@@H]2c1ccccc1	206230861	XCAHAYCJWNCHJV-GOSISDBHSA-N	244.337	4.836	0	10	BJAE	
CCCC[C@@H](C)N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C	216562197	QMADIGPCDWCJNR-JJXSEGSLSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CC[C@@H](C)[C@@H](C)C1	220757218	GZGQNWHBKSBZIT-QKPAOTATSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@H]1CCCC1(C)C	226879379	LQGCJPWFNHEPCF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@H]2CCC23CCCCC3)ccc1F	230169879	OONCPANMSKVUTO-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC[C@H]1C)c1ccccc1	251219809	YLCKYIRNZPVGIT-OIISXLGYSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](CC)CC[C@H]1N	251298723	HGVJLRNLOSPHNX-ZJIFWQFVSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](O)(CC)c1ccccc1	251869783	UHBNQAIQOBSSFT-PVAVHDDUSA-N	246.394	4.501	0	10	BJAE	
CCc1ccsc1C(=O)C[C@@H](C)CC(C)C	300834022	CKUXKJAKMORKJQ-NSHDSACASA-N	238.396	4.566	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1C	302283929	JLZAQSFPBWWDOL-HACGYAERSA-N	245.410	4.794	0	10	BJAE	
CCCC1CCC(N)(C[C@@H](C)CC(C)C)CC1	305930846	JSZNRPANHGLNBH-FHERZECASA-N	239.447	4.747	0	10	BJAE	
CC(C)NC[C@@H](C)[C@@H](C)CCC1CCCCC1	305938679	LDSOAGZIVSWXHS-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CNC[C@H](C)[C@@H](C)C[C@@H](C)CC(C)C	306015889	XNLZYBMDIDMDIO-JYJNAYRXSA-N	241.463	4.577	0	10	BJAE	
Cc1cc(C(F)F)c(Cl)c2sccc12	307028272	MUAKDEOALGHCJS-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
C[C@H]1CC[C@@H]1Nc1ccc(-c2ccccc2)cc1	310849475	CTRREYMMXYHZKB-GUYCJALGSA-N	237.346	4.564	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC2[C@H]3CCCC[C@H]23)CC1	310948098	LHZSTJQDNKWWCR-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1C(=O)CC1=CCCCC1	311043715	GWLXTZKYZBYJMI-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
CCCC[C@H](NCCC)c1ccsc1Cl	312571981	LMGQZXXRDAWASX-NSHDSACASA-N	245.819	4.632	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C(C)(C)C1CCC1	322528772	VZJMDPBCLDRRMA-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCC1(NCc2cc(C)ccc2C)CCCC1	382273734	JKJBRTZCLJRWKI-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(O)CCCCC2(C)C)C1	383641692	ZZZMVCPAGSCJCF-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccccc1CCC	384523689	KRZGLUDLZDIBDI-CYBMUJFWSA-N	232.367	4.648	0	10	BJAE	
Cc1oc(C)c(C(=O)CCC2=CCCCC2)c1C	385680146	IOWAXGYLDLGKTP-UHFFFAOYSA-N	246.350	4.668	0	10	BJAE	
COc1ccc2c(Cl)c(C(F)F)sc2c1	396287439	JPQFQUGGEFEGHM-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
C[C@H](C[C@H](O)C[C@H](C)C1CCC1)CC(C)(C)C	398540745	VZCUYDNLTORRPD-IPYPFGDCSA-N	240.431	4.636	0	10	BJAE	
O=C(CC1=CCCC1)c1ccc2sccc2c1	401106895	GBWMIEYKFLDJSJ-UHFFFAOYSA-N	242.343	4.584	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CCCC2CCC2)C1	688356887	PMGFJQSMLJTUAU-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CC(C)c1cccc([C@](C)(O)C2CCCCC2)c1	688941165	WTYBAJZZGXSKOH-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1CCC[C@@H](C)C1	689750704	AASVKUDPXIMAQB-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)CNc1ccc(C2CCC2)cc1	690152505	GKOWZFZCYYCKAF-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
CC1(C)CCCC[C@H]1NC[C@@H]1CCCC2(CC2)C1	695696003	ZFTWQTNYLIOBEA-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)C(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1O	701041237	AZGYCWZINOHSIK-MJBXVCDLSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H]([C@H](CC)c1ccccc1)C(C)(C)CC	701135432	ANTVFKLWBCKBCP-HZPDHXFCSA-N	247.426	4.595	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@H]1C(C)(C)CC	701136510	JBMNVGLMGIOSFK-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@](C)(N)CC1CCCCC1	704798662	MWGSCXXNMSUPEU-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccc(Cl)cc1C	708448596	PCCNRFIBIPAOOR-HZMBPMFUSA-N	240.774	4.508	0	10	BJAE	
CNCC1(C[C@@H](C)CC(C)(C)C)CCCCC1	709102753	GURQUGYCESPSQR-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCc1cccc(N[C@H](C)[C@]23CCCC[C@H]2C3)c1	709105285	DHNGLBJZCJISLA-UKPHBRMFSA-N	243.394	4.630	0	10	BJAE	
CCCNCC1(C[C@H](C)CC(C)(C)C)CCC1	709109624	WWACJCALPCOALB-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)[C@@]23CCCC[C@@H]2C3)c1	709115100	RPQQIWDWCJGDJJ-INMHGKMJSA-N	243.394	4.684	0	10	BJAE	
C[C@H]1CC[C@@](O)(C[C@H](C)CC(C)(C)C)C[C@@H]1C	709263071	VRYQZOCNAGJNOE-ORIJERBGSA-N	240.431	4.636	0	10	BJAE	
Cc1cscc1C(=O)C[C@@H](C)CC(C)(C)C	709273284	OHCWBVXRYMWYLW-SNVBAGLBSA-N	238.396	4.702	0	10	BJAE	
CC(C)(C)Oc1ccc(C(C)(C)C)c(Cl)c1	709853812	AQQVBQRLZOBGSO-UHFFFAOYSA-N	240.774	4.815	0	10	BJAE	
CC(C)(C)c1ccc(CC2CC2)cc1Cl	709877428	ITDXKNUXYMSCHO-UHFFFAOYSA-N	222.759	4.590	0	10	BJAE	
CCC1(C[C@H](NC)[C@@H]2CCCC3(CC3)C2)CCC1	710144527	ZJQNAXCGBIBXDI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C12CCC(CC1)CC2	710262592	LMIHIMGSRIEVMW-IZTSSTLKSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(N)CC1CCCCC1	713174411	GIFUGAKQLVMQDJ-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)C[C@@H]1CC(C)(C)CC	713263630	LJZXKTLIFPYZRI-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1c2cc(C(C)C)ccc2[C@H](C)[C@H]1CC	714342503	GQMMBWXZDBNQMS-MRRJBJDNSA-N	245.410	4.604	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)c1cc(C)co1	716113134	GYDTYCPCDKEKRO-OAHLLOKOSA-N	247.382	4.519	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1ccc(C2CC2)cc1	718750290	VNWCUSYETHFMMG-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
Fc1nc2c(s1)CCCCCCCCCC2	719182064	IIFWJNSLLGZSNW-UHFFFAOYSA-N	241.375	4.502	0	10	BJAE	
CCC[C@@H](C)C[C@@](O)(CC)CC1CCCCC1	720988959	IAXLZJLQNXUCRV-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)CC(C)(C)C	723543321	DNQPBKJFCFTIML-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](N)c1c(C)csc1C	724960668	CWGFQVUULUYUJK-AWEZNQCLSA-N	239.428	4.581	0	10	BJAE	
CC(C)Oc1c(CC2CC2)cccc1C(C)(C)C	725441545	XDFQZBITWQUZMV-UHFFFAOYSA-N	246.394	4.724	0	10	BJAE	
CC(C)CCN1C[C@@H](C)CC[C@H]1c1ccccc1	1643044344	GVOAGOBWUDQIQQ-RDJZCZTQSA-N	245.410	4.506	0	10	BJAE	
CCCCCCc1sc(Cl)cc1OC	1889493894	MOHCHGKVYYCBJK-UHFFFAOYSA-N	232.776	4.533	0	10	BJAE	
CCC(C)=CCNc1cccc2ccsc12	1900833271	PQQJXEVHQHORAE-UHFFFAOYSA-N	231.364	4.670	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)C(C)(C)CC	1905443422	HTAJUAORAQVJAI-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CC1(C)CCCC1	1905443424	HTKAIIMRFZBDIQ-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CCC[C@H]1C(C)C	1907602866	OERRYJNIKIGFOJ-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCCOc1cc(C(C)C)ccc1C	1912007956	PSBREUXLFYHRNQ-UHFFFAOYSA-N	230.351	4.630	0	10	BJAE	
CCCCCC[C@](C)(O)CC1CC(C)(C)C1	1919973579	IKXRZLAYDCRWCY-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@](C)(O)CCC[C@H]1CC1(C)C	1919976618	WTQGTUPSFPPHAW-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@](N)(CC)c1cccc(C2CCC2)c1	1920140509	UJRKXSWSDYGHBM-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1NC[C@@H]1C=CCCCC1	1925822223	YYNUASYBQPYLGI-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccsc1Cl	1932478486	NWRZUXCSEBHWHW-ZJUUUORDSA-N	243.803	4.782	0	10	BJAE	
C=CC=CCCCc1ccccc1C(C)C	1935744806	HGKMUVOZJOGADV-UHFFFAOYSA-N	214.352	4.875	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H](CC)C(C)C	1936212426	MAEGZLMTAZTHLU-ZNMIVQPWSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](C[C@@H](C)CCC(C)C)NCC	1939123319	VHDUZOXVQAPYSL-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CC1(C)CCCCC1	1940418052	ZBURAJJXBQEUHT-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CC[C@H]1CC1(C)C)CC(C)(C)CC	1940864349	POGAZOFUSOZKJK-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1(C2CC2)CC1	1941137510	VHKBOKAINKPCOV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@@H](CC(C)C)C(C)C	1941265621	XHHRXJGMSNCIQD-HOTGVXAUSA-N	239.447	4.639	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(CCCC2CC2)C1	1941583694	IHDPEHIXZBVUSL-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
c1cc(C2CC2)ccc1-c1nc(C2CC2)cs1	1941960093	JGXQMURSUBQUPN-UHFFFAOYSA-N	241.359	4.565	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1(C)CC(C)C1	1941984339	SUOGMFCQLFDHRG-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)CC[C@H](N)c1ccccc1	1942662205	PJMSZVDOFFBMMJ-HOCLYGCPSA-N	233.399	4.539	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CC(C)(C)CC2(CC2)C1	1943080408	VGCZKVHYXLWHKD-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@]1(N)CC(C)(C)CC2(CC2)C1	1943082753	WPLBIAXSRLNAJT-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@@]1(CC(C)(C)CC)CCCC1(C)C	1944479344	BBMFXHBYYYJWCS-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H]1CCC1(C)C	1945748441	KVYYCUDDRVKOOJ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@@H](C)CC(C)(C)C	1947454382	ARUYPNVFSLHQIS-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H]2C(C)C)cc1C	1947461825	KAYLLHDTSCFIQZ-CVEARBPZSA-N	231.383	4.540	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)CC1CCCC1	1947465516	VPSCBQAOFQBEPL-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(O)CCCCCCC2)C1	1947546907	NMGDWEVAEUAJRD-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
OC1(CC2CCCC2)CCCCCCCCC1	1947880544	YGHBPCSWUAFORA-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CCCN[C@H](CCC1CC(C)(C)C1)C(C)(C)C	1948149488	XJXXJYSXDDICHU-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC(C)C)CC1CCC(CC)CC1	1948861238	FMYTUGRHVVIJMJ-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@H]1CC1(N)CCCCCCCCC1	1949022195	FKRUJYDIFKIVGD-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCCC1CCC(O)([C@H]2CCC(C)(C)C2)CC1	1949454732	ZGIVCPXPXFHQMU-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2[nH]c([C@H](C)C(C)(C)C)nc21	1949762834	UAXJSYPLSMYCIM-MXWKQRLJSA-N	234.387	4.560	0	10	BJAE	
CN[C@H](CCCCC1(C)CC1)CC1CCCC1	1949864635	PMSOAPCSBRLLET-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CC)CCC[C@H](C)CC1	1950920978	ALULQHPRRUBOJC-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)CN(Cc1ccccc1)C(C)(C)C	1968225923	VYFXDDNTSOMOSS-HNNXBMFYSA-N	247.426	4.723	0	10	BJAE	
c1ccc(C2CC2)c(NCCC2CCCCC2)c1	1969416505	HXXKDJUUIOAJRR-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CCCC1(CN[C@@H]2CCCCC23CCC3)CCC1	1971567027	MATFDODFTGSJGH-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCc1ccc(NCC2CC3(CCC3)C2)cc1C	1972020399	HQOARPQYZMUNGI-UHFFFAOYSA-N	243.394	4.550	0	10	BJAE	
C[C@H]1CC(NC2CC3(CCCCC3)C2)C[C@H](C)C1	1972429895	JGRRMFCGALCOSY-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)C[C@@](O)(CC)C1CCCCC1	1975955476	ATUCKLQFYOZXAR-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](NC)c1cc(C(F)F)cs1	1977078878	OMOSUHKRYYEUEP-SNVBAGLBSA-N	247.354	4.527	0	10	BJAE	
C/C=C/CCC[C@H](O)[C@H](CCC)CC(C)C	1984608425	VLYFZIUZERMUSB-ZWXLGZMVSA-N	226.404	4.556	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cc(C)ccc1C	1989818817	LVTMLDBQKXCYHC-CYBMUJFWSA-N	219.372	4.540	0	10	BJAE	
C[C@]1(C(F)(F)F)C[C@H]1C[C@H]1C=CCCCC1	1992668947	NSOPEPFJEYXOBF-TUAOUCFPSA-N	232.289	4.711	0	10	BJAE	
CCN[C@@H](CC(C)C)[C@H](C)C1(C)CCCCC1	1995977200	ZZZPRHSLISZXBX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC([C@](C)(O)C2CCCCC2)CC1	1996556119	YMHHATCFWLRTMJ-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@H]1CCC=CCCC1	1999989060	WIUCHKNALTZKNF-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CCCC(CCC)C(=O)[C@H]1CCCC(C)(C)C1	2000104773	GMPKSJHITPGQPD-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CC[C@H](CC2(O)CCCCCCCC2)C1	2003111991	QJKLAZSJKSLAOX-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](CC(F)F)C[C@H]1CCCCCCC1=O	2003119877	XDVGNWAGZWPXNL-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCCCCC[C@@H](N)CC1CCC2(CC1)CC2	2003213700	HSQDDKMZMMGHPO-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(C)c(NCC2(C)CC(C)(C)C2)c1	2003384065	HCPDFEQOLNFHHQ-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCC1(C)CC1)NCC	2009550304	ZDLLRBLPNCDOPO-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C[C@H](N)C1=CCC(C)(C)CC1)C(C)(C)C	2010761024	FBCGQYRIEVPQOQ-JSGCOSHPSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](CC1=CC[C@H](C(C)C)CC1)NCC	2010764700	ODMUKPJWGXTEHO-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2012008723	JRSQOXTXSCWDNV-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CC2(C1)CC2(C)C	2012241117	GPMIKGCJERLUCI-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCc1ccc(NC[C@@H](CC)C(C)C)cc1C	2016106496	NVUKSYNUPJGSRD-OAHLLOKOSA-N	233.399	4.652	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(N)CCC=C(C)C	2016115087	OHEJYPRWROVNNT-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H](N[C@H](C)CCC=C(C)C)C1CCCC1	2016144886	MEXPLFUGWNBEJC-GDBMZVCRSA-N	237.431	4.680	0	10	BJAE	
CCN[C@H](CC(C)C)CC1(C(C)(C)C)CCC1	2017139007	QHMDXTWUACVTCD-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)CC1(C(C)(C)C)CCC1	2017144869	WZWQAZAAFRWHCM-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC(CCC2(O)CCCCC2)CC1	2017713227	XAAMWHMMQSTUKB-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C(C)C)[C@H](C)N)CC1	2017720364	GLKKBOJJYCVERT-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CC[C@H](C)CC1	2017778088	YDMUHDLTVFTVPS-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CNCC)CC1(CC)CC1	2018973388	HXKNOYSXQPHYSO-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCCC1(C[C@@H](O)[C@H](C)C2CCCCC2)CC1	2018975921	URQZZEOZZDSCAP-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CC(N(C)CCC(C)(C)CC)C1	2019380253	QRUJNDWLULCMAQ-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC(F)(F)CCC[C@@H](O)CC1(C)CCCCC1	2023303089	ZKRXAVOLZNJMBR-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CCCC(C)(F)F)C1	2023314901	VCPFRVJCZSKFEC-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CCC[C@H]1CCC(C)(C)C	2024001284	QCFJWNOIUPXMLN-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1c(F)cccc1-c1nc(C(C)(C)C)cs1	2024009043	RMZKZKAMLUTGEA-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CC1(C)CCC[C@H](CCC[C@@H](N)C(C)(C)C)C1	2024092444	RCVHMUQTOVAQHQ-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CC(C)(C)C1(C)C	2025017339	ANHSZUVKBJDBJX-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
C[C@H](CC(=O)C1(C)CC(C)(C)C1)c1ccccc1	2029107309	ZHXASLGFGBCECJ-CYBMUJFWSA-N	244.378	4.576	0	10	BJAE	
CCC(CC)[C@H](N)c1ccc(C2CCCC2)cc1	2031743423	DCGNTKNBSCHHDH-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccc(C3(C)CC3)cc2)C1	2032243458	VOHAJMNUGZRLFX-CZUORRHYSA-N	243.394	4.729	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@@H]1[C@H]2CCCC[C@H]21	2033476186	FQSAOULGEUATSE-QLPKVWCKSA-N	244.378	4.686	0	10	BJAE	
CC[C@H]1CC[C@@H](NC2CC(C3CCCCC3)C2)C1	2033788020	RHEOKBVFKNYWRG-MHABSNSOSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CCC[C@@H](CC)C1	2035594648	UXKFJLMCOHFNPI-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@@]1(CN)CC12CCCC2)C1CCCCC1	2036106741	OUPDHDHPBUBVMF-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
Cc1cc(C)c([C@@](C)(O)[C@@H](C)CC(C)C)cc1C	2036374836	LFAOALAYDDJBFU-RDJZCZTQSA-N	248.410	4.502	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(CC2CC=CC2)CC1	2037140576	XXEGYNVCIVMLHE-DOTOQJQBSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@]2(CNC(C)(C)C)C=CCCC2)C1	2037685079	DMHIMTJWHMRDRW-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CC2(CCC2)C1)C1(C)CCC1	2038081034	NPEQPNOGNVBPEN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC2(CC1)CC(NC1CC(C)(C)C1)C2	2038932230	BFWJAKHIUDEAAU-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(N)CC3(CC(C)(C)C3)C2)C1	2039461066	ZEQDCIXAXVKJOW-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)C1CC2(C1)CC1(CCC1)C2	2039462632	VLOCYXHLNUWGMK-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC2CC3(CCC3)C2)CC1	2041542731	YPBGTJLLTQYIND-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NC[C@]1(C[C@@H]2CC2(C)C)CC=CCC1	2042092912	AUJSNFPGAHZPHM-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1NC1CC2(CCCCCC2)C1	2046226243	GATRLYYDNBDWJO-UHFFFAOYSA-N	243.394	4.910	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1CC[C@H]2C[C@H]2C1	2049644160	TZEJCLPSRKXYBM-CAOSSQGBSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)C[C@@H]2CCC=CCCC2)CC1	2049680613	HAWHYXRSEJEPGQ-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)CC1CCC2(CC1)CC2	2049863583	ZWBNJUHLENHQEX-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@@H](N)CC1CCC2(CC1)CC2	2049938202	OHMCLVGANASSCI-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CCCC2(CC2)C1	2049951147	MHJRBESWMPXCSG-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H](C)c1ccccc1	2051403421	LMJLBDSENRGBLZ-DOTOQJQBSA-N	245.410	4.515	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CCCCC12CC2	2053419040	QYKBMEDZHJFGBV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@](N)(CC1CC(C2CC2)C1)C1CCCC1	2056649741	ABNQPLPTHXTENH-PUJMQQBBSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C1(C2CC2)CCCC1	2057606432	MSXLSPUAGKTVRQ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1(C(=O)C2CC(C3CC3)C2)CCCC1	2057826371	KDLYSOFTMOKZQV-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@H]1CCC12CCC2	2059176293	YOMGZYZZCKKUIX-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCN1CCC(C2CCCCC2)CC1	2059205800	DQKHCQQCMQVMAF-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC=CCCC[C@H](NC)c1ccccc1C(C)C	2059248859	BZPTYSGZIVFUBT-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)c1ccoc1CC	2059254685	AWPQSYVDEXQLQJ-SZTZYQKNSA-N	249.398	4.629	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)C1CC(C)(C)C1	2061093268	WQWUNCCOSJWOST-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@H](NC)C2CCC(C)CC2)CC1	2061098829	LFUDRGOUKPEPLP-KXJMLMMSSA-N	249.442	4.537	0	10	BJAE	
C1CC[C@H](NCCCC2CCCC2)C2(CC1)CC2	2062019409	VTKIPVHCYXVAPF-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2CC3(C2)CC3(C)C)C1	2064132277	JBWQZVNNCKIBPN-WIJYIZELSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](N)[C@H](CC23CCC(CC2)CC3)C1	2065335452	PSNMUOALGYOQPY-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@H]1C[C@@H]2CCCC[C@@H]2C1)C1(C)CCCC1	2067518659	YTBZUYRYFWNPDR-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@H]2CC23CCC3)CCCC1	2069196467	HXGWYLGMERBNOL-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC2(CNC(C)C)CC=CC2)CCC1	2069340559	WLJJIGIUVDJOIQ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@@H]1CCCC2(CC2)C1	2070304400	NPMAAIXAJOPUSO-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1C[C@@H]2CCC[C@@H]2C1	2070400939	ZRXOESWANLWNNC-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)C1(C(C)(C)C)CCC1	2071933208	NIPINMIDOVMHNL-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@@]2(C)C=CCCC2)CC1	2072805328	BCNINGGAGFERHV-GQGLESIBSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(N)C[C@@H]3CCC[C@H]3C2)CC1	2072805977	HMXGYTAUQQHAQR-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCCCN(C[C@H]1CCC2(CC2)C1)C1CCCC1	2076590998	HMYSTMVNPASWLI-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H]1C[C@@H]1C1CC1	2079300960	YXCVNHCCNXBOBY-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1ccc(C2CCC2)cc1	2079471902	BXMYGMIZWLLULR-HOTGVXAUSA-N	242.362	4.573	0	10	BJAE	
CCCC1(CC(=O)[C@H]2C[C@H]2C2CCCC2)CCC1	2079481051	BBMIPZCXPFKGDW-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc(NC[C@@H]2C[C@@H]2C(C)(C)C)cc1	2079618649	GVXGUCSFBDBJSK-HOCLYGCPSA-N	245.410	4.733	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)CC2=CCCCC2)C1	2082979819	QMMZEEWNPJFPAN-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1cccc(CC)c1	2086054943	WZQWKECWKCJTGP-RHSMWYFYSA-N	247.426	4.855	0	10	BJAE	
C[C@@H](C[C@@]1(N)C[C@H]2CCC[C@H]1C2)C1CCCCC1	2086165341	OHCRPPZJMQIQQH-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCCCC2CC2)CC1	2214577218	BKWRRGLIGHECQO-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](O)(CC2CCCC2)C1	2216251845	GRFMNTOMBNMERS-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC=Cc1ccccc1)NCC	2219087005	VTBZWOGNXXNNEU-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
CN[C@@H](CCCCC1CC1)[C@H]1CCCCC12CC2	2220046299	SFUJDFQKVGBZPM-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(NCC2(C(C)(C)C)CCC2)CC1	2221602293	CCCADWZXTMKPMA-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@@]2(C)CC=C(C)CC2)CC1	2221622557	IHNBCSCVEVWTFD-OIISXLGYSA-N	247.426	4.587	0	10	BJAE	
CC1=CC[C@](C)(CNC2C[C@@H](C)C[C@H](C)C2)CC1	2221643126	MBOPMTCPLLXIFZ-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	2222932389	DYMWEDDEWZLLAS-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CNC1CCC1)C1CCCCC1	2223540602	ALVCJARLFOPPNK-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CNC1CCC1)[C@@H]1CCC2(CCCC2)C1	2223548790	RGEQXPOTHQGREM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC2CCC2)C=CCCC1	2223551857	SVPIINZDPAZEMT-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)NCC1(CC2CCCCC2)CC=CC1	2223591359	BMEUQPBDXXXOBA-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1(C)CC(C)C1	2242662988	RGMWJCSOUZRIGX-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CCC1CCCCC1	2244776924	CTFJKDLJPQXVCM-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC(C)(C)CC)NCC	2244780995	HZAGDPQRWMXZTC-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCNC[C@](C)(CC)CC[C@H]1CCC[C@H](C)C1	2246665895	SZLDXHNPKWWOHB-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1(O)CCCCCCC1	2247111235	CSZIZFFHHDBDCC-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCC[C@H](N)CC[C@@H]1CCCC12CC2	2247591043	PJXLZRYYPJDOOD-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C[C@@H]1CCCC12CC2	2247657090	XDSQBMOQUMCGEV-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)N[C@@H]1CC(C)(C)CCC1(C)C	2251680789	GDRUESUYHPSGJI-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CCC[C@H]3C[C@@H]32)C1	2253932937	WBOYAOWPOSZDPY-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC(C)C(=O)CCCC12CC3CC(CC(C3)C1)C2	2253980310	CNICUTCJWHFMFX-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](NCC1CC2(CCCC2)C1)C1CCCCC1	2254083966	JZLPZXGMFPZGLL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1CCC2(CC1)C[C@H]2N	2257339876	LUQDLRFDLRUURJ-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(C[C@@]1(N)CCCCC1(C)C)C2	2259583822	WDPYDCGBWMBBAL-DRRRZMAASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(CN[C@]23CCCC[C@H]2CC3)CC1	2260548070	CNRYVXIUUOQXCK-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@]23CCC[C@H]2CC3)CC1	2260573919	KBEVDNUAZRUNSW-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
CC1([C@@](C)(N)C[C@]23CCC[C@@H]2CC3)CCCCC1	2260659780	ZCRBMOUDOVFJFB-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@]12CCC[C@@H]1CC2	2260675349	XRJNQORDDYSKPW-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
C1=C[C@@H]2CC(Nc3ccc4ccccc4c3)C[C@@H]1C2	2270210879	GNGOHQRLLCIGDS-KBPBESRZSA-N	249.357	4.606	0	10	BJAE	
CC1=CC[C@@H](CN[C@@H](C)CCCC(C)C)CC1	2298841770	LJFZJMSQYYYQOT-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC[C@@H](CCC1CCCC1)NC	2300683343	IPKBROTZYFSZJW-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCC[C@@H](C2CC2)C1	2300702883	ZYSZXJQYXIDGCJ-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CC[C@@]1(CO)CCCC(C)(C)CC1	2300869430	IPPBKJWJNJXCFC-INIZCTEOSA-N	238.415	4.702	0	10	BJAE	
CCN[C@H](C)[C@H](C)CC=C(C)CCCC(C)C	2300902525	VKNYEEMLUYIQJO-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CC[C@@H](NC)[C@@H](C)CC=C(C)CCCC(C)C	2300926810	PCXZFHBSOLJOOD-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCCCCCC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301099534	VLAMMTGBEZTZHK-SOUVJXGZSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@]1(O)CCCC(C)(C)CC1	2301865587	YFQNSDCLRFAYGM-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@H](C)[C@@H](C)C(C)C)C(C)C	2301965730	WPEMCYVPXCHDOA-ZNMIVQPWSA-N	240.431	4.802	0	10	BJAE	
C1=C(CCCC[C@H]2C[C@H]3CC[C@H]2O3)CCCC1	2302341928	BLPFAPNXXCFRAP-ARFHVFGLSA-N	234.383	4.615	0	10	BJAE	
C[C@@H](C(=O)CCCC1=CCCCC1)C1CCC1	2302346600	IQQLPFPBRKHQBG-CYBMUJFWSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@]2(C)CCCCN2)C1	2302532653	VZQYHDYWDMSZQW-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](O)C(C)(C)C(C)(C)C)C1	2302897329	YYVRNOGXOIFIHX-OLZOCXBDSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](C[C@H]1CC[C@@H]1C(C)(C)C)NC	2303476600	SNKYAYNEGFMVHT-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H](CC1CC1)C1CC1	2303830832	ZSBZNWPZSFBJSP-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C(=O)CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304431838	OWDQTKKZUJTFIB-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN)CCCCC12CC2	2307825227	YJKCRQNWOGACAP-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CN)CC12CCCCC2	2307845784	VCJRNBBQIQRYSF-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CCCCC12CC2	2307896559	VPPVLKZJVVBCTD-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCCC1)C[C@@H]1C[C@H]1C	2310971546	JMFQZLSJVRDSOM-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)[C@@]23CCC[C@@H]2CC3)CC1	2313292067	HXZICYSSSVKOLM-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@]1(C[C@@]23CCCC[C@@H]2CC3)CCCCCN1	2313323493	CTSSRDDILFIRCP-IKGGRYGDSA-N	249.442	4.659	0	10	BJAE	
Cc1cc(C)cc(OC(CC2CC2)CC2CC2)c1	2313662427	QWJAEXZROMJFLK-UHFFFAOYSA-N	244.378	4.651	0	10	BJAE	
CC1(C)CC(C)(CC(N)(CC2CC2)CC2CC2)C1	2315450073	YBIKRUAHUZXQMM-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cccc2ccoc12	2316244355	YHZMGSRVRUXVBH-HNNXBMFYSA-N	245.366	4.649	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C[C@@H]1CCC12CCC2	2316538292	VUFIBRWDBTWXFM-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1C[C@H]2C[C@H]1CC21CC1	2317041468	ZVQXPXOZEMIBFB-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CC(C)(C)[C@H]2C)c1	2318181352	DLBYKGMFOTWLMQ-BLLLJJGKSA-N	245.410	4.658	0	10	BJAE	
C[C@H]1[C@@H](Nc2cccc(C(C)(C)C)c2)CC1(C)C	2318181744	HAUDEYNGYILTLB-WFASDCNBSA-N	245.410	4.831	0	10	BJAE	
C1=C(CCCN2CC[C@H]3CCCC[C@H]32)CCCC1	2318575871	JMSRMNPYDKBZFI-IAGOWNOFSA-N	247.426	4.532	0	10	BJAE	
COc1cc(CCCC2=CCCCC2)ccc1F	2318580200	XTCIAUYKPOGLNI-UHFFFAOYSA-N	248.341	4.657	0	10	BJAE	
C[C@@H]1C[C@H]1CCCN(C)CCCC1=CCCCC1	2318580207	XVQTYDYFPZLPLR-NVXWUHKLSA-N	249.442	4.635	0	10	BJAE	
CN[C@@H]1CCCC[C@@H](CCCC2=CCCCC2)C1	2318592408	ISMAUZOMLTUQNE-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CC(C)(C)[C@H]1NCCC1=CCCC1=CCCCC1	2318592474	JMXRAQHVFNAKIC-INIZCTEOSA-N	247.426	4.601	0	10	BJAE	
CC[C@H](NC[C@@H]1CCC(C)=C(C)C1)C1CCCC1	2320232543	SBGCYWCZRWUADB-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)(NC[C@H]2CCC(C)=C(C)C2)CC1	2320406291	MEQRCVQPWZXLOS-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CCCCCC23CC3)CC1	2320408261	ISISXEBRTFBVRX-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@]23CCC[C@@H]2C3)CC1	2320423364	LUTAKTAJHXUBSU-BFYDXBDKSA-N	246.394	4.662	0	10	BJAE	
CC(C)CC12CC(C(=O)CC3CCCCC3)(C1)C2	2321578336	OMMDLFHEHXZONO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC[C@@H](C)c1ccc(O)c(C)c1	15120000	AHRNUZBHBAHMHY-GFCCVEGCSA-N	218.340	4.551	0	10	BJAE	biogenic
C[C@H](Nc1ccccc1-c1ccccc1)C1CC1	21009581	SWFFKLKKPSAVKP-ZDUSSCGKSA-N	237.346	4.564	0	10	BJAE	
CC(C)(C)c1ccccc1Nc1ccccc1	21999265	HJPHEOBMEWPPJD-UHFFFAOYSA-N	225.335	4.728	0	10	BJAE	
CCCC[C@H](NCC)c1csc2ccccc12	35554954	UXQCZLDRCTZUSM-AWEZNQCLSA-N	247.407	4.742	0	10	BJAE	
CSc1ccc(N[C@H](C)C2CCCCC2)cc1	37197619	NIPNMGBGOVCXPW-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CCC(=O)c1ccc(-c2cc(Cl)ccc2C)o1	54106790	DNJXUPMLIIMPIP-UHFFFAOYSA-N	248.709	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1cc(C)cc(C)c1	68867203	OOUJCBLUCGLOBF-RDJZCZTQSA-N	248.410	4.943	0	10	BJAE	
CC1(C)CCC[C@H](Nc2ccc(Cl)cc2)C1	70682609	ZLPSNUUXKHXRCI-ZDUSSCGKSA-N	237.774	4.721	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCCC[C@@H]1C	71084802	STZRQTLARZMJPA-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C3CC3)C2)c(C)c1	81623129	CKMRKOZUZPQCBS-HOTGVXAUSA-N	243.394	4.684	0	10	BJAE	
CCCCC1CCC(N)(C[C@H](C)CC)CC1	83184983	MPWONMSWZFWPQA-WLYUNCDWSA-N	225.420	4.501	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC[C@H](C)C[C@@H]1C	85097353	CQCUVIYWTQSFNJ-DZKIICNBSA-N	245.410	4.876	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2c(C)cccc2Cl)C1	85387980	AAJIKSLYLQGQCB-RYUDHWBXSA-N	237.774	4.639	0	10	BJAE	
CSc1ccc(NC[C@H]2CCC[C@H](C)C2)cc1	89586511	YSDSOEXCNICOAR-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H](C)C(C)(C)C)cc1	111646343	MPIKNYIMPIDVLE-ZDUSSCGKSA-N	246.394	4.894	0	10	BJAE	
CC[C@H](C)[C@H](C)NC1CC(C)(C)CC(C)(C)C1	124778995	JGZRBVWGSDXYJR-STQMWFEESA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)NCCC1CCC(C(C)(C)C)CC1	130286480	SJTMAJJYOJOWBK-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](C)CCNC(C)(C)C)C1	132695773	LPFTVWKQJZBZIP-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)N[C@@H](C)C1CCCCCC1	149725635	FRPDTONHGUVPRT-AWEZNQCLSA-N	239.447	4.904	0	10	BJAE	
CCCN[C@@H](CC1CCCCCC1)C1=CCCC1	161961023	ZDBUVGLKUUCDQN-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1=C(C)[C@@]2(C)CC=CC[C@@]12c1ccccc1	206581107	JYNDXLAKZXPIKZ-SJORKVTESA-N	224.347	4.631	0	10	BJAE	
CCCC[C@H](CC)C/C(C)=C\CCNC1CC1	211823953	RTGMAYSZZIHFOC-OWTLUSIOSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@](C)(O)C/C=C/c1ccccc1	212849901	RDOUDSHXZAFDLE-RTGRKSDTSA-N	246.394	4.811	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@@H]2C(C)C)cc1C	214444198	IDBCTHPSGTUTDV-SJORKVTESA-N	245.410	4.930	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1CC[C@@H](C)C[C@@H]1C	221687246	UMMRRBVWWLPXOM-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H]1CC[C@@H](CC)C1	233566486	AZCDVYCSIMNGJB-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2cc(C)ccc2C)C1	235677588	BBEHETPSUKWTHB-CJNGLKHVSA-N	243.394	4.708	0	10	BJAE	
Cc1ccc2c(c1)[C@H]([C@@H]1CCCCC1(C)C)CN2	235993132	FATKBPWSQZQPEC-CABCVRRESA-N	243.394	4.721	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@H](C)c1cc2ccccc2o1	252421295	YZJPZYNDIQVYIS-YNEHKIRRSA-N	245.366	4.518	0	10	BJAE	
CC(C)N(C)Cc1ccc(C2CCCCC2)cc1	260015100	KQPBFFYZRYTILS-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H](C)c1ccccc1	300471652	IWFRUKHYJPDESP-FMKPAKJESA-N	244.378	4.576	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@@H](C)CC(C)C)NC	302263756	CCBADULSVDTLBW-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cc(OC)ccc1C	302304997	MWHSRDQYYUXGRA-JSGCOSHPSA-N	249.398	4.630	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CCc2cc(N)ccc21	302647410	VCQYGROLPPJYHZ-ISTRZQFTSA-N	243.394	4.515	0	10	BJAE	
Cc1cccc(N[C@H](C)CCC(C)(C)C)c1F	305965719	AVNSCIFQDQHHSM-GFCCVEGCSA-N	237.362	4.761	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)Cc1ccc(C)cc1	308103882	HWWFZAMWOVNWII-INIZCTEOSA-N	246.394	4.569	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1ccc(C)cc1C	308111799	OSUBGWSFKGBDKS-CQSZACIVSA-N	232.367	4.558	0	10	BJAE	
CCC(CC)n1ccc2ccc(Cl)cc21	308766019	JTSSSDVQPGICMY-UHFFFAOYSA-N	221.731	4.656	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CCC(C)(C)C[C@H]1C	309991386	BIXRSLMAZJQTGJ-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CC[C@](C)(CNC(C)C)C[C@H]1CCC[C@@H](C)C1	310162651	RNUIUANYSNRCBB-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCC(C)(C)C(C)(C)C	310243274	IYKOBDGVKXBMGR-CYBMUJFWSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccc2ccccc2c1F	311104942	VAIHLJPITQHHDZ-NSHDSACASA-N	244.309	4.598	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC(C)C)CC[C@H](CC)C1	318043638	JJIQOQPGEKPKGY-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCCC[C@@H]1C)C1CCC1	322448517	HJYSSVHVBYACIN-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H]([C@H](C)CCC)C(C)(C)C1CCC1	322621859	PGYXGPGKOHZNII-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1ccccc1)C(C)(C)C1CCC1	322748432	CRGGZSVFPLUVMW-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CN[C@H](CCCC/C=C/c1ccccc1)C(C)C	324170992	QVEBITILTDTJFS-VDZSZVPASA-N	245.410	4.504	0	10	BJAE	
CCc1ccc(O[C@@H]2C=CCCCCC2)cc1	379872692	ZCUUETPRCDXTAK-OAHLLOKOSA-N	230.351	4.517	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)CC1(C)CCCC1	380009677	KPARYGPDXHNRBH-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C[C@H](O)C[C@H](C)C(C)(C)C)CC1	380158480	KKOQMMUDSCBAKB-OOJKYFRXSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](C)c1csc(C)c1	381638011	WOLLOBNDZSDVGK-NEPJUHHUSA-N	239.428	4.532	0	10	BJAE	
Cc1ccc(N[C@@H]2CC3CCC2CC3)cc1Cl	381933678	RLAXZNPPBPBMAF-KOHJWAIASA-N	249.785	4.639	0	10	BJAE	
CC(C)CCCCC[C@]1(O)C[C@@H](C)CC[C@@H]1C	383586942	WZNXMKFWRTWLDJ-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](NC(C)C)c1ccccc1CCC	384636695	KXCKHGFBOMCSDG-KRWDZBQOSA-N	247.426	4.868	0	10	BJAE	
CC1CCC(C[C@H](C)[C@H](N)c2ccccc2)CC1	385260760	VNCUBCRYPOVJAI-INTUILBWSA-N	245.410	4.539	0	10	BJAE	
CC(C)NCCC(C)(C)C[C@@H]1CCC[C@H](C)C1	393850383	WBOUNQYGVPEXIW-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)NCc1cc(C)cs1	393931000	KHIFVZQJVPAXDA-ZDUSSCGKSA-N	239.428	4.505	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NCCC1CCCCCC1	394570727	LQBQCDHTQHFBSF-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC(Nc2cc(Cl)cc(Cl)c2)C1	395290908	KHSYFDYWDQIZFB-UHFFFAOYSA-N	244.165	4.594	0	10	BJAE	
CC[C@](O)(CCCCCC(C)C)C(C)(C)C	395508321	ZYYKMNVNIHYMER-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
COc1cc2sccc2c(C(F)F)c1Cl	396193230	YWALPARKVWEJTN-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1sc2c(F)cccc2c1C(F)(F)F	396293745	GWAXTZDFENQYPS-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)CCC1CC1	398242547	ZXORVXPOVIHBHG-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CC(C)(CCC(=O)CC(C)(C)C1CC1)C1CC1	405725118	JMRHQEZFCBIOHY-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@](C)(O)CC(C)(C)c1ccccc1	686650390	PXVYXRQXFVSAIF-QGZVFWFLSA-N	248.410	4.686	0	10	BJAE	
CCCC1(CNC[C@H]2CCCC3(CC3)C2)CCC1	687270568	NADZYGDFSXNEFG-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CN[C@H](CCCC1CCC1)c1ccc(C)c(C)c1	688398383	LZHGSTBKTQDFEX-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@](N)(CC)[C@@H]1CCC[C@H](CC)C1	690430165	MLRAOTZPTWAJRC-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C1CC2(CCC2)C1	691889640	FZHOHVSEHIQIHO-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@]12CCC[C@H]1C2	693146173	JSKIGVZYUBEUNX-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC2(CC2)C1)c1ccsc1	695710325	SHZSUESQMYEURY-KGLIPLIRSA-N	249.423	4.512	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCCC2(CC2)C1	695769568	GFGWGKWUHMHNCL-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@@H](O)CCC(C)(C)C)C1(C)C	699074281	AJWWYWRIPBYCSL-DVOMOZLQSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	699088827	JJHLMUZAHPYOSS-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1C[C@@H]1C(C)(C)C	699765161	BAQZEQGSDDIINN-GJZGRUSLSA-N	244.378	4.675	0	10	BJAE	
CC(C)=CCCC(=O)c1ccc(C(C)C)cc1	704754630	PPOLGSJQCUKAOW-UHFFFAOYSA-N	230.351	4.739	0	10	BJAE	
C[C@H](C[C@@]1(N)CCC12CCCC2)C1CCCCC1	705022481	BWZWPTHDMLQPDG-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(C[C@@H](C)C1CCCCC1)C1CCC1	705349819	IUISPSPSTOBIQW-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C(C)C)C1CC1	705366957	OMBQCUOEEVMFTK-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)c1ccccc1C1CCC1	708271256	VBNOMCZTBVOCMJ-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CC1CCC(CN)(C[C@@H](C)CC(C)(C)C)CC1	709080576	OZJUFOIOAMKXED-BBBYJDLNSA-N	239.447	4.604	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CCCC2(CC2)C1	710019864	UIDWQLXUQFTITH-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1CCCC[C@@H]1C1CC1	710135637	HEWUAAPGPZYNNK-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C[C@@H](O)c1ccc(C)cc1C)C(C)(C)C	711209649	FLVCBLCYBCXZEZ-GOEBONIOSA-N	248.410	4.799	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)CC(C)(C)CC	711223421	NLAGUFPOLVGSIF-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)C(C(C)C)C(C)C	711330535	UCYNFAWCPJMHMA-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCCNC[C@H]1CCCC[C@H]1CC(C)(C)CC	713184475	OLCAEWPRXYSBPX-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1scc(C)c1Cl	713190672	YSOKGXXJWSTTAX-SECBINFHSA-N	246.803	4.570	0	10	BJAE	
C=C/C=C\CC[C@]1(CNCC(C)C)CCC[C@@H]1C	713745103	JXYZJXCKZFOWOZ-QVOWHETESA-N	249.442	4.561	0	10	BJAE	
Cc1ccc([C@H](C)NCCCCC2CC2)c(C)c1	716398306	MMCLNHIFWDBHPK-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCCc2cccnc21	718644003	AIMQBSBVAUFMGW-OAHLLOKOSA-N	229.367	4.638	0	10	BJAE	
FC(F)c1ccc(NCCCCC2CC2)cc1	720194575	SCBMGUPVDFTCMP-UHFFFAOYSA-N	239.309	4.616	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2C[C@H]3C=C[C@H]2C3)cc1	829367867	KWBGMAAHIVLIGI-RMRKRWHISA-N	241.378	4.577	0	10	BJAE	
C[C@@H](NC1CCC2(CCC2)CC1)C1CCCCC1	1560895125	GBQOUDKFOZFZQI-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc([C@H](C)S[C@H](C)C(C)C)c1	1640954493	ASAATYLICRBTGY-OLZOCXBDSA-N	222.397	4.834	0	10	BJAE	
C[C@@H](CCc1ccccc1)SC1CCCC1	1656035255	FRQTVMHCKBCZOL-ZDUSSCGKSA-N	234.408	4.684	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)CCCC(C)C	1660268036	MFNITLFZNHOLDC-KGLIPLIRSA-N	227.436	4.616	0	10	BJAE	
CC(C)CCCP(=O)(C(C)C)C(C)C	1889470619	WLCNYEHBIAAHIS-UHFFFAOYSA-N	218.321	4.603	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@@H]1CC(C)C	1902381388	MXGIYCUAWWGINM-CHWSQXEVSA-N	237.412	4.547	0	10	BJAE	
Cc1ccc(C(C)C)c(CC2CC=CC2)c1	1905150741	NUBHBIPOHOBCBZ-UHFFFAOYSA-N	214.352	4.627	0	10	BJAE	
CCCCN(C[C@H](CC)CCC)[C@@H](C)CC	1905300306	IAXNCVBHBDMVIG-LSDHHAIUSA-N	227.436	4.713	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)C[C@H](CC)CCC	1905442126	CMOIJSYINYUYGX-RBSFLKMASA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(C(C)C)CCC1	1905449166	JETRBCOAFOWTFF-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCC[C@H]1C(C)C	1909336546	YGRSYFIGOCRGSA-HRCADAONSA-N	237.431	4.536	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]2C(C)(C)C)CCCCC1	1910809796	RHGXFJXTOIFLPY-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC=CCN[C@H](c1cccs1)C1CCCC1	1912099794	QEBPRASGWVITGE-HNNXBMFYSA-N	249.423	4.535	0	10	BJAE	
CCCCCC[C@@](C)(N)c1csc(Cl)c1	1920187998	SGOAWWSGYDSVTH-GFCCVEGCSA-N	245.819	4.546	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@H](C)CCC(C)C	1920202806	MLWDVLUPLMXODA-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CCC1CC(CNC2CC2)(CC2(C)CCCC2)C1	1921211897	IKNDCGLWKIBLCW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@H]1CCCC12CCC2	1921587346	VREPGUPXWIVPQF-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@](C)(CNC(C)C)C1CCCC1	1924076702	WOQMRAKZWOTHFJ-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C[C@H]1CC=CCC1)[C@@H](C)C1CCCCC1	1924122173	QHZSZDRPPOPBLK-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)C=C1[C@H](CN)CCCC12CCC2	1924833664	IGFPHZMQZUTMRO-GJZGRUSLSA-N	249.442	4.524	0	10	BJAE	
FC(F)(F)c1cc(C[C@@H]2C=CCCCC2)co1	1925820355	PVFMOTHZEJGBEM-SNVBAGLBSA-N	244.256	4.587	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)Nc1ccsc1Cl	1933236506	KLLCTDJAMKAYKH-ZJUUUORDSA-N	245.819	4.884	0	10	BJAE	
CC1(C)CCC(C[C@H](O)CCC2(C)CC2)CC1	1940793602	VRLMAZLKZWVUTJ-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)C(C)(CC)CC	1940872460	MMIOSENBDBOWJZ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)CCC[C@H]1CC1(C)C	1940881898	HRVBALZEXKGZFG-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@]1(CNCCC)CC=CC[C@H]1C	1940954927	YGDHNZUTIDRWIO-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(CC)CNC1CCC(C(C)C)CC1	1941357672	OTLWCGHCOZINHF-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
C(CCNCCCC1CCCC1)CCC1CC1	1941582642	YSHSXQKKQNFVSZ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)CC(C)(C)C	1941586833	MZWQINBQOZEJLD-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CCNCC1CCCCCCC1	1942799430	NTUFNXHRNCGLAP-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCC1(C)CC(C(=O)CCCCCC2CC2)C1	1948407678	SEGOBBUFGXNZCP-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2C=CCCCC2)CC1=O	1949657200	YVSJYPFBCYRXOI-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(CO)CCC[C@H](C)CC1	1950911501	OZGYRJCVGDPBMY-GOEBONIOSA-N	240.431	4.638	0	10	BJAE	
CCC1(CC)CC(NC2C[C@H]3CCCC[C@@H]3C2)C1	1965988407	OELIECOBNOQSHK-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CC(C)(CCN[C@@H]1CCCCC12CCC2)C1CC1	1967781566	XJOWGYXCFJRTIE-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(OCC2CC(C(C)(C)C)C2)c1	1968308224	ULWBTNBIJRXHDU-UHFFFAOYSA-N	246.394	4.755	0	10	BJAE	
CN(CC1CCCCC1)[C@H]1CCC2(CCCC2)C1	1968507952	BOJQRIHKPPRBCE-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](NC1CC(C2CCC2)C1)C1CCCCC1	1969164564	DZODTKIPCLJWDF-JCYILVPMSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(F)c1NCC[C@H]1CCC[C@H](C)C1	1969466832	DPDYSKMNGHCCLG-GXTWGEPZSA-N	249.373	4.762	0	10	BJAE	
Cc1cc(O)ccc1-c1cccc(C(C)(C)C)c1	1969842449	DAKXMRAPBQXFGP-UHFFFAOYSA-N	240.346	4.665	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC1CCC2(CC1)CC2	1970868847	WPVFSGLUVAKRAY-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1csc(C(F)F)c1	1978582110	HNYDKYCFDILFLW-LDYMZIIASA-N	247.354	4.512	0	10	BJAE	
C[C@@H](C[C@H]1CCCCCCC1=O)C(C)(C)C	1980350229	DXNKYMKRPCQXTP-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)[C@@H](O)C1(C)CCCCCCC1	1981417213	XZFWEMKVUDNTFO-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC[C@@H](C)CCC1=O	1984461835	HXXQZFUFODCKMV-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@](O)(CCC(C)=C(C)C)CCC(C)C	1986939999	WMGWQLRKCOSOHP-OAHLLOKOSA-N	226.404	4.700	0	10	BJAE	
CC[C@@H](CCC(C)C)NC1CCCCCC1	1986947634	HUHGCSORLCMWON-AWEZNQCLSA-N	225.420	4.514	0	10	BJAE	
C/C=C/CCCC1CC(c2ccccc2)C1	1989217019	UTHKRPJEIBUAIC-NSCUHMNNSA-N	214.352	4.927	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cccc(C)c1	1990091492	OBJJHJIEXNWRAV-CQSZACIVSA-N	219.372	4.766	0	10	BJAE	
CCCCC[C@@](O)(CC)c1c(C)csc1C	1990097490	HOXQDJSEPYWRMO-AWEZNQCLSA-N	240.412	4.543	0	10	BJAE	
CCC[C@@H](CC)Nc1ccccc1C1CC1	1992088150	VCNBWIUAPLYNEI-CYBMUJFWSA-N	217.356	4.555	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)c1cccs1	1995258270	CFCILHLCGXOKJL-QWHCGFSZSA-N	239.428	4.615	0	10	BJAE	
CCCCC[C@@H](CC[C@H](C)CCCC)NC	1995259419	MXGGVRPTNBPQOJ-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CC(C)CCC[C@](C)(O)C1CCC(C)(C)CC1	1996560606	GABBZKYTTYVYLP-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
Cc1cn(C[C@H]2CCC=CCCC2)c(C)c1C	1999985622	LEVOIFOEXAVURT-INIZCTEOSA-N	231.383	4.550	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)C[C@H]1CCC=CCCC1	1999993192	KKUOTYOWLANNSQ-GJZGRUSLSA-N	237.431	4.523	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CC23CCCC3)s1	2001231949	PDTNJGXDJRLEKY-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
N[C@@H]1CCCCCC[C@@H]1CCC1CCCCC1	2003097201	DSBARNBWQMCGEL-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
O[C@H]1CCCCCC[C@@H]1CCCCCC1CC1	2003099521	OBNOWDSLDTZZSO-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CC=C(C)C[C@@H](CC1CCCCC1)NCCC	2007860249	QVWZLSCJCUAZSO-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C/C=C/C[C@@]1(CNC(C)C)CCCCC1(C)C	2008053148	IWGMLJQQNBXYRK-MOEXGYKKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](NCCC)C1(C2CC2)CCCC1	2008483728	RZNRGPSMIWKMHK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)C[C@H](C)C(F)F	2008581724	NLUXLQKFHSPQNU-RWMBFGLXSA-N	249.389	4.615	0	10	BJAE	
CC=CCCCNC[C@H]1CCC[C@@H](CC)CC1	2009591615	IRGRSHHOVZRMHP-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](NCC)CC(C)(C)C1	2012058287	JKDDZULSTNFVBT-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@H]1CC(=O)CC2(CCC2)C1)C(C)(C)C	2012084893	SKHRTQATKBBRIU-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC(C(C)C)C(C)C	2015410292	URJJEYBEBBELOP-INIZCTEOSA-N	241.463	4.848	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1CCC(C)(C)C1	2016148818	DASNXOWLHARMNE-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCCC1CCCC1	2016149922	OCXAYIUCGIFNHR-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@](O)(CC1(C(C)C)CCC1)C1CCC1	2017115185	VINVTYRFBKWAMU-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(CC[C@@H](N)CC2CCCC2)CCC1	2017141562	PSEWPWHCHCNEGF-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)[C@@H](N)C1CCC(C(C)(C)C)CC1	2017478553	SICBWPFAQLPDNI-YMAMQOFZSA-N	237.431	4.523	0	10	BJAE	
CCCC1CCC(C[C@H](CC(C)C)NC)CC1	2017723477	KEEXLMRIWJIUDP-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C[C@]12CCCC[C@@H]1C2)NC	2018576540	BCRKWGUGSSLSSJ-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1C=CCCCCC1	2019121129	FMWCOKLVYSBUKU-INIZCTEOSA-N	237.431	4.633	0	10	BJAE	
CCCCCCN(C)[C@H]1CCCC(C)(C)CC1	2019289825	FAMUXEVEMFKIRI-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCC[C@@H](CC)N(C)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2019418379	CLDHYDLBPIKUEK-FXUDXRNXSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@H](CCC2CCCCC2)C1=O	2020393353	OUNFDQRZLCEGTC-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)=C(C)CN(CC(C)C)C1CCCCC1	2020537464	NRAMTPQSYWEYFZ-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
Cc1c(F)cccc1C(=O)CC1(C)CCCCC1	2027282163	ZKBIFAXOUQHKQK-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCCc1ccc(NCCC[C@@H]2CC2(C)C)cc1	2027822660	RVGDKFPXWJLDKL-OAHLLOKOSA-N	245.410	4.877	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	2027844358	ZBDHYMWSTOEFTN-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)[C@@H](C)C1CCC1	2028872826	NDMMBTISGFXVKP-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)[C@H](N)c1ccc(C2CCCC2)cc1	2031746817	ROMFDZHQSGUGGE-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CC[C@@H]1CC[C@H](NC[C@@]23CCCC[C@H]2CCC3)C1	2031809301	QUGDFKRPEPAGAV-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)[C@@]12CCCC[C@H]1CCC2	2031856083	VFVPGIPJPOMSNH-HLLBOEOZSA-N	246.394	4.662	0	10	BJAE	
CC1(C)C[C@H]1CCNc1ccc2ccccc2c1	2032425738	AQBLPWAODFCFPK-OAHLLOKOSA-N	239.362	4.688	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@@H](C2CC2)C1	2035403445	JSVFYLFXOIVVOB-NCOADZHNSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@H](CN2CCCCC23CCCCC3)CCC1	2035551578	IENRZAHOSZVIPG-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
C[C@@H]1CC[C@H]([C@]2(N)CCCCC23CCC3)C[C@H]1C	2035923322	HYBBFAJUJXYBDR-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@](C)(N)CC2(C)CCC2)cc1	2037098182	NSWYNOUYAWSDKV-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)CCCC23CCCCC3)C1	2037584449	ONEQXIBNADLICL-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2[nH]c([C@H]3CCC(C)(C)C3)nc21	2037999724	ITTSRDOHXYHBOU-UTUOFQBUSA-N	246.398	4.704	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H]1CC[C@@H](C)C1	2040143396	VESQPKGXOIATDL-KGLIPLIRSA-N	244.378	4.648	0	10	BJAE	
CCNCC1(C[C@H]2CC[C@@H](C)C2)CCC=CCC1	2040172636	NNLPCLQCKKOIRQ-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CC[C@@H](C)C1)c1ccccc1	2040172936	PMXIKWQRHMOPTA-INMHGKMJSA-N	246.394	4.501	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@@H]1CCC2(CCC2)C1	2043615303	MAPFDULOWDBNIP-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CC2CCC=CCC2)C1	2045561300	WUOQQAXNUUUXFL-XJKSGUPXSA-N	246.394	4.684	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC12CCC2)C1CCCCC1	2047939059	KQNCODGKAJCODO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
NC1(CC2[C@@H]3CCCCC[C@@H]23)CCCCCCC1	2048442724	GXODWIWVTRJWQY-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCCc1cccc([C@@H](O)CC2(C)CCCC2)c1	2049796077	WHQBXEGUFHRHJI-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CC(C)(CN[C@]1(C)C=CCCC1)C1CCCCC1	2049959382	MNVFCJLEXBHQDV-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CNC[C@]1(CCC2CCC2)CCCCC12CCC2	2053358963	QXMWOIBMUOFZLI-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@H]2CC3CCC2CC3)C1	2055123695	LHRPYALXXNVVGW-PVNJOJHASA-N	248.410	4.598	0	10	BJAE	
CC1CCC(C)(C(=O)C2[C@H]3CCCCC[C@H]23)CC1	2056537577	XRNGNFMWNCGFTD-CWVKQELPSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC1CC(=C2CC2)C1	2061696955	WZASYQJKWRPUSP-CJNGLKHVSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2CC3(C2)CC(C)(C)C3)C1	2063204009	LMDMMJRFIHQPDY-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC12CCC(CC1)CC2	2065334913	JTMPCAYDCJQVFG-MNAZLIDISA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@@]23CCC[C@H]2C3)CC1	2070968028	RMWMPHDKXLFSKG-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@]2(C)CC=CCC2)CCC1	2071916011	UZERERVJNJJKRZ-MRXNPFEDSA-N	248.410	4.908	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CC1(C(C)C)CCC1	2071918387	CNXIJQXVVAYFHK-HOCLYGCPSA-N	248.410	4.764	0	10	BJAE	
CCC1CCC(C[C@@H]2CCC(C)=C(C)[C@H]2N)CC1	2072807402	VVGLECYPUBCWKI-SJJHQCBESA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C2C[C@H]3C[C@@H]3C2)CC1	2072878593	OOLWSRMCBJLWRX-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(CC(=O)C2C[C@@H]3CC[C@H]3C2)CC1	2072881552	KLJHULWVTZITMJ-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(N)(C[C@]23CCCC[C@H]2C3)CC1(C)C	2074025987	RKHRYMKJBLTVSU-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CCCCC1CC(N(C)[C@@H]2C=CCCCCC2)C1	2074799812	PAYKEEGXVKMAID-AQFXKWCLSA-N	249.442	4.776	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CC[C@]23CCC(C)(C)C3)C1	2074890872	CVUXPHQZICLZBV-INMHGKMJSA-N	249.442	4.610	0	10	BJAE	
CC(C)[C@H]1CCCCN1[C@@H]1CCC12CCCCC2	2075010211	HKIKBJXWRGRNHZ-HZPDHXFCSA-N	249.442	4.610	0	10	BJAE	
Cc1cc(C)cc(N(C)CCCCCC(C)C)c1	2075147368	VTAMVZBBRILKEV-UHFFFAOYSA-N	247.426	4.956	0	10	BJAE	
CC(C)C1(CN(C)CCC2=CCCCC2)CCC1	2075147889	KKMMQOJVQYYLDI-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1=O	2076445341	YXJSFEZVALKRMV-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1C[C@H]1C1CCCC1	2079429821	ZOLQOJHFZDKKHV-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1C[C@@H]1C1CCCC1	2079491864	MLLMNRQMRSETMD-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CC1(CCC(=O)[C@H]2C[C@H]2C2CCCCCC2)CC1	2079493112	VSWOEWPGTVCHBA-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]2C2CCCCCC2)CCCC1	2079525373	ACVZLHGQNKRQMT-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@H]1C[C@@H]1C1CCCC1)CC1CCCC1	2079660280	LDASAGHZQRDBKQ-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)C1	2082983903	WTHCUFGVZIBMFF-CTASWTNQSA-N	248.410	4.598	0	10	BJAE	
c1oc2cc3c(cc2c1C1CCCCC1)CCC3	2086717687	BRCBQHJYMBATFN-UHFFFAOYSA-N	240.346	4.969	0	10	BJAE	
FC(F)CCCCCC=Cc1ccccc1	2212252819	XSPYPZFGHNKNAD-UHFFFAOYSA-N	224.294	4.915	0	10	BJAE	
CC[C@H](C)NCC1([C@@H](C)C(C)C)CCCCC1	2217155170	AALASFRRIHNGHX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCN1	2218355962	IDAWTLLEGYXBNV-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNCCCCCC2CC2)C1	2218750363	ORVAWIXYXWAOPZ-WMLDXEAASA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC(CC/C=C/c2ccccc2)C[C@@H](C)O1	2219074498	SBDBRWPXUBUSEM-ILJFBXALSA-N	244.378	4.684	0	10	BJAE	
N[C@H](CC[C@H]1CC12CCCCC2)C1CCCCC1	2220301828	YEOMGCCENVSKLY-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)CC2(C)CC(C)(C)C2)c1	2221003500	NOUOXHAFQLVTPF-HNNXBMFYSA-N	246.394	4.553	0	10	BJAE	
CCN[C@@H](CCC1CC1)CC1(C)CC2(CCC2)C1	2221024184	ZBQGWKIKOWXTNN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@H]2[C@H]3CCCCC[C@H]32)CC1	2221640655	NUCHRLTXLANFRJ-IVSAIRAKSA-N	246.394	4.518	0	10	BJAE	
CC1=CC[C@](CN)(C[C@H](C)C2CCCCC2)CC1	2221652552	DDTLHSFOTDPHBE-DOTOQJQBSA-N	249.442	4.668	0	10	BJAE	
CCCCCCC(=O)Cc1ccc(C2CC2)cc1	2223634709	NTCNGLUZWKINGQ-UHFFFAOYSA-N	244.378	4.646	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@]2(C)CC2(C)C)C1	2246658940	DWYOVYWIBLRVQI-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
CCNC[C@](C)(CC)CC[C@@H]1CCC[C@H](C)C1	2246665897	SZLDXHNPKWWOHB-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)[C@H](O)CCCC[C@@H]1C[C@@H]1C	2247157558	DLBRZQXRVNJUIJ-NUEKZKHPSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1CCC12CCC2	2247392633	YQEFIHJTQPNBBS-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C(C)(C)C(C)C	2247491476	ZQAACURCUCZZFP-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNC1CCCCC1	2250488305	LHLNQTGZDNTFAH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@]12CCC[C@H]1CC2	2251163327	PVVKXMNZKSJMFP-BLLLJJGKSA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(CC2(N)CC(C3CCCCC3)C2)C1	2253658223	MRJWFRAVMVBYQC-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@@H]1CCCCC12CC2	2253830805	GGKPCAFLHRZLET-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCCCC23CC3)C1=O	2253882799	ZXNOKUPATBKEGT-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C1(CC2CCC2)CC1	2254581239	FZDZWTRLFXHPKM-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1C[C@@H]1C1CCCC1	2254603593	CILXXORTKRPMOO-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CC2=CCCCC2)[C@H]1C	2255097186	QAQJFZGLGJSBOR-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)CC[C@@H]1CCCC12CC2	2255251028	ZWNPYSGQHKOVQG-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@H](C[C@@H](C)CCC)NC)cc1	2256303040	OYCGEEAIPLSWAL-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2cc(C3CC3)ccc2F)C1	2259125551	GUITXXCUBXPEBJ-RISCZKNCSA-N	247.357	4.694	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@@]12CCCC[C@@H]1CC2	2260485316	DMXIRBSJILNKER-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CNC[C@]23CCCC[C@@H]2CC3)CCC1	2260527821	OQQCINDVCINYAA-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
C(CCCC1CC1)CCN[C@]12CCCC[C@H]1CC2	2260558461	ZYCZUMPOIGEKDP-IRXDYDNUSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@]23CCC[C@@H]2CC3)C1	2260673095	QTFXTYPEOIUNPU-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCCC23CC3)C1=O	2261436135	PGVGXDDHYFXAKL-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCCNc1cc(C2CC2)ccc1Cl	2300673209	FHTVGECIHYPFQZ-UHFFFAOYSA-N	249.785	4.986	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C[C@@H]1CC1(C)C	2300686698	UCGKWDDTPFSOJQ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN1CCC[C@@H](C(C)C)CC1	2300697015	JXIDLBQKGRGNFI-MRXNPFEDSA-N	239.447	4.571	0	10	BJAE	
CCCCN(CC=C(C)CC)C1CCCCC1	2300885431	HHJINCITBYXEAT-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CCC(C)=CC[C@H]1CCC[C@@H]1CNC(C)(C)C	2300902409	UJBFQUOCHYCVQT-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCc1ccc(N[C@H](C)[C@@H](C)C(C)C)cc1	2301827220	ZTTNUKJRMUBWFV-UONOGXRCSA-N	233.399	4.732	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@@H]2CCCC2(C)C)n1	2302262388	LMKCSLSUGHQKMJ-WDEREUQCSA-N	249.423	4.950	0	10	BJAE	
CCC[C@](C)(CCCC1=CCCCC1)C(=O)O	2302360804	FUSLJRANYLNXSG-OAHLLOKOSA-N	238.371	4.548	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@@H]1CCC(C)(C)C1	2302891890	GVRJXEUJCLDEGO-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
O=C(CCC[C@H]1CC[C@H]1C1CC1)c1cccs1	2303152338	XRSVTLRWSPPLHV-WCQYABFASA-N	248.391	4.537	0	10	BJAE	
CC[C@](CN)(C[C@H]1CCC(C)=C(C)C1)C(C)C	2303515066	FHOJEDRCFCEIDV-JKSUJKDBSA-N	237.431	4.524	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C[C@@H]2CC2(C)C)C1	2304434369	IOPCRRBPSSVYQM-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCN(C)CC[C@H]1CCC(C)(C)C1	2304438875	ZCELAOXZJISXGK-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)C[C@@]12CCCC[C@@H]1C2	2311146563	SWNOGPJZDOXOSD-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1	2312907909	RSIWQFHZFMJBOF-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312959410	FBTBXJGEFJVSSS-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313181384	QGFGDCQVRWVOHL-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)C[C@@]23CCC[C@@H]2CC3)C1	2313321208	JRHCYZLIXMEJNO-NNXHMXCWSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@]1(C[C@@]23CCCC[C@@H]2CC3)CCCN1	2313346006	LQSLBLNPJFVUME-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C[C@@]23CCC[C@@H]2CC3)CC1	2313348529	IFRIZDOURRXJJJ-VVLHAWIVSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313349126	SHQQKVOVPMAPGD-LTIDMASMSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316753164	VMGUKXMOYKOCIU-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@]12CCCC[C@H]1CC2	2316873471	MTQBLYNAWDKRNH-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
N[C@@]1(CC2CCCCCC2)CCCC12CCCC2	2316886331	WFFKQJSZPOMTIV-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC[C@H](NC)c1cccc(C2CCC(C)CC2)c1	2317105322	JJIXARRWEITPFT-KVULBXGLSA-N	245.410	4.651	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)n1ccnc1C1CCCCC1	2317829065	WRHYXOAFGCEZNR-UONOGXRCSA-N	248.414	4.784	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C1=CCCCCCC1	2317962249	KQOSFEXZPKYSAE-QGZVFWFLSA-N	247.426	4.875	0	10	BJAE	
CC1(C)C([C@@H](N)CCCC2=CCCCC2)C1(C)C	2318575757	IRDQESQAKUOJQC-AWEZNQCLSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)NCC1(CCCC2=CCCCC2)CC1	2318593260	RWGODZSPNRYLBG-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCCC[C@H]2C[C@H]21	2319442711	FSPJTROPYZJXJQ-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@H]1CC[C@H]1C1CC1	2319579465	UMUFPVABJAWLIM-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1CC[C@H]1C	2320409210	RYWHIKGMLKWDHN-MXASKKJJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)C1	2321621294	DVDLNALYLSIGRU-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)[C@@H]2CCC3(CC3)C2)C1	2321634534	SQBMZKJNZHSTFH-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)C(C)(C)C2CC2)c1	2327790521	QMLQXHKZDNEVRG-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H](CC)CN1c2ccccc2CC[C@@H]1C	2328101341	IHVGCACGMKVKPE-LSDHHAIUSA-N	245.410	4.654	0	10	BJAE	
CSc1ccc(-c2ccc3[nH]ccc3c2)cc1	16947395	BSGXVPNRPRFZMQ-UHFFFAOYSA-N	239.343	4.557	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)CC2CCCC2)cc1	21797151	OPXZXIXBICAVPA-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](CC(C)C)NC)cc1	35469184	UGDJORAQPGYPLQ-CZUORRHYSA-N	233.399	4.507	0	10	BJAE	
CCCCC[C@@H](NCC)c1ccc(Cl)cc1	35540213	LNCZHGGRRRYTAH-CQSZACIVSA-N	239.790	4.571	0	10	BJAE	
CCC[C@@H](C)Nc1ccc2oc(C(C)C)nc2c1	37136833	VTFYAEBCQCYIBX-LLVKDONJSA-N	246.354	4.552	0	10	BJAE	
CCC(=O)c1cc(C)c(-c2ccccc2C)s1	42732295	NRQGPWZQPPWATB-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)c1cccc(C)c1C	68863326	LNSJQVAZXKRYTQ-DJIMGWMZSA-N	246.394	4.553	0	10	BJAE	
Cc1cc(N)ccc1-c1ccc(C)c2ccccc12	79905369	SKZIJHMVIWQZGV-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1ccc(C)s1	82676646	KFIMGZPSUBKCIN-CHWSQXEVSA-N	240.412	4.696	0	10	BJAE	
CCC[C@H](C)CNc1c(CC)cccc1CC	83360392	ATDYZSNOIASQGG-ZDUSSCGKSA-N	233.399	4.660	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC(CC)CC)CC1	83437184	SLABXVHCIYDKPI-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](CC)CNCC1CCCCCC1	89557073	HJZPWDXWNXSDII-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@]2(N)CCCCC2(C)C)C1	94279402	XYRKQEQSUYEDKQ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CC)C1CCCCC1	103985626	VYQSVIQDYAWTIR-GOEBONIOSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(C)c(C)c1	110158319	AYCCPMWXPOYLLS-HNNXBMFYSA-N	233.399	4.932	0	10	BJAE	
CCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1NC	111235569	YOEYHHBPNOUCCV-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@@H](C)NCCC(C)(C)C)cc1C	123929823	IMDYECKLTMLKEW-OAHLLOKOSA-N	247.426	4.699	0	10	BJAE	
C[C@H]1CC([C@@H](C)C(=O)c2ccccc2)C[C@H](C)C1	128245860	WYCTYZQCGROBQE-MGPQQGTHSA-N	244.378	4.578	0	10	BJAE	
CC(=O)c1ccc([C@H]2CCCC(C)(C)C2)cc1	143451527	PLJWLVULPZMSCN-HNNXBMFYSA-N	230.351	4.573	0	10	BJAE	
CCc1cc(CC)c(C(=O)[C@@H](C)CC)c(CC)c1	147830776	SAXVDRHJYWYFCC-LBPRGKRZSA-N	246.394	4.603	0	10	BJAE	
Cc1ccccc1C(=O)CC1CCCCCC1	164127278	UAQHUWBKFUHUNC-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@]2(O)CCCC(C)(C)CC2)C1	226527094	TVVKUTSKCTUBIS-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCC[C@@H](C(C)C)CC1	226538101	AAAPCTQLBOZCMY-OWCLPIDISA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@@H](C2CCCCCC2)C1	227560855	FSEXUIHIGOAPFO-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CC1CCCCC1)c1cc(C)cc(C)c1	229473196	SCUQGEZDCNUEQQ-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCC(C)(C)[C@@H]1CNc2ccc(C(C)(C)C)cc21	232841072	AYFFVPLXMRAWMO-CQSZACIVSA-N	245.410	4.929	0	10	BJAE	
CCCC[C@H](CC)c1c[nH]c2c(OC)cccc12	232994170	RCKJUFBDAFQHKG-LBPRGKRZSA-N	245.366	4.860	0	10	BJAE	
CCCNC[C@@H](c1ccc(C)cc1)[C@H](C)CCC	233085253	IVIKXTIALHCQEJ-NVXWUHKLSA-N	247.426	4.514	0	10	BJAE	
CCC[C@H](C)[C@@](C)(CCC)CNC(C)(C)C	233342451	UAIUHGHLOHIUTL-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)c1ccsc1	233620706	HDVBKUTUHMJGDN-OAHLLOKOSA-N	249.423	4.679	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2ccc(F)c(C)c2)C1	235716631	WTASBFOSLXGKEW-BXUZGUMPSA-N	247.357	4.538	0	10	BJAE	
CCCNC[C@@H]1CCC[C@@H]1CCCC(C)(C)C	302260908	FAXPUVVTGXBDPO-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCCC(=O)C(C)(C)c1ccccc1	302358082	XIKXFNFFONCAHZ-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)[C@@H](C)CC(C)C	302529129	GEMRXQVCUQBDIG-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CCc1ccc2c(Cl)csc2c1Cl	306819918	LZLYQNABJQMDIS-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
Cc1c(C(F)F)ccc2sc(Cl)cc12	306853013	SWOHPNRKAUKLAD-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCOc1cc(Cl)c2sc(Cl)cc2c1	307197064	QPFJHLUYTHUEHL-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CSc1cc2ccsc2c(Cl)c1C	307274845	OWFPPEDAUFQATA-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCCN[C@@H](CC1CC1)[C@H](CCC)CC(C)C	308057586	RINIRPMDSBLXKO-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@@H](CCC(C)C)C2CC2)c1C	310658317	ISTVYGNKQNETSL-KRWDZBQOSA-N	245.410	4.930	0	10	BJAE	
Cc1ccc2ccn(C[C@H]3CCC[C@@H](C)C3)c2c1	310819551	BJYPLTNSVQUNMW-HIFRSBDPSA-N	241.378	4.776	0	10	BJAE	
CCCNCC1(CCC)CCC(CCC)CC1	317484280	APCYVAWNJZIVNA-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCCCC[C@]1(CNC2CC2)CCC[C@@H]1C	317984950	QYXLWZSCUDZWQE-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@@H](C)[C@H](C)CC	319648649	FCEXPNXOVLTUJM-FXUDXRNXSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](N[C@@H](C1CC1)C(C)(C)C)c1ccccc1	324145324	WYMIIXCNHQOZHS-HOTGVXAUSA-N	245.410	4.552	0	10	BJAE	
CC(C)(C)CCC/C=C\CCNC(C)(C)C	380491857	SYNVOPDBDJAKHA-CLFYSBASSA-N	225.420	4.537	0	10	BJAE	
CC1(C[C@@H](N)c2ccccc2C(C)(C)C)CCC1	381374853	QQXZDXROXXDIBB-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CC3CCC2CC3)c(C)c1	381946273	BVWNCODKWUMGDK-GPANFISMSA-N	243.394	4.602	0	10	BJAE	
CCCC[C@@H](NCCC)c1ccccc1CCC	384654153	NMOZSBRXRLHMBM-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC1=CCCCC1)NC	385809987	QBRAVNDLGMRNSM-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC2CCC1CC2	394741387	MWVLPNWKXWJSOT-GPANFISMSA-N	238.415	4.534	0	10	BJAE	
C1CCC(CCCNCC2CCCCC2)CC1	395194899	BYTHDEGPSQBHMA-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC1([C@H](O)C[C@@H](C)c2ccccc2)CCCC1	395246710	MNPPOWSTEZVQOB-GDBMZVCRSA-N	246.394	4.512	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CCC1)c1ccccc1	398767738	YEVGPBJGQQADEO-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H]1CCCCC1(C)C	401035562	OIXSZADQLMMLKO-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC1(C)CCCCC1	401385152	IMAYMSJHHIUPKK-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CCC(C)(C)C1CC1	405745214	ATEQIZNXTZSKDZ-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CCC(C)(C)C1CC1	405831414	SXFNFRNNVSKOEP-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC(C)(C)CC(O)(CCCC2CC2)C1	405987106	FNQASTZKVOUWLX-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCCCCNc1ccc(C2CCC2)cc1	690153570	QPFACAAEVZPTNI-UHFFFAOYSA-N	231.383	4.946	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCCCC[C@H]1C(C)C	691129282	ULNKEXLAIJOLJB-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CCc1cc(N[C@@H]2CCCCC[C@@H]2C)ccc1C	691152020	OYTUUMNXUYJODL-WMLDXEAASA-N	245.410	4.938	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)C1=CCCCCCC1	691189866	VQLVUWNHWGSXMU-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CC[C@](C)(NCCC1CCCCCC1)C1CC1	691504057	GESPOTPFHUMLQM-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CNc1cccc(Cl)c1CC1CCCCC1	694960714	JXUVELHZQYUPPY-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CCC(C)(C)CC[C@@H](C[C@@H](C)C(C)(C)C)NC	696549697	IDDNEDADHGBEHF-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CCCC[C@H](NC)c1ccccc1	696702916	LRWMBIREPSWPOO-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
CCC(C)(C)CC/C(C)=C\CCNCC(C)C	696800090	QUCGPNBLCHVZAE-DHDCSXOGSA-N	239.447	4.785	0	10	BJAE	
CC(C)CCC[C@@H](O)c1ccccc1C1CCC1	703967611	BRWHXJJOJMGFOT-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CC(C)CCC[C@@H](O)c1cccc(CC(C)C)c1	703968081	IBBRCYQCSOXRDS-QGZVFWFLSA-N	248.410	4.745	0	10	BJAE	
CCCCCC[C@@](N)(CCC)[C@H]1CC1(C)C	704471080	HDBNVJAIVVTZAC-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
C/C=C/[C@H](NCCC)c1ccc2sccc2c1	704614840	SUZXMMLIPGGJJE-KQIUPUNMSA-N	245.391	4.518	0	10	BJAE	
CCCCCC[C@](N)(CCC)C(C)(C)C	704877554	ADURXDDDNGDNCS-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
CC[C@](N)(CCCCCC(C)C)C1CCCC1	704923183	CCKGQBUEJIJYOV-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@](N)(c1cc(C)c(C)cc1C)C(C)(C)C	704926292	GFRNJTRLTVQOSR-QGZVFWFLSA-N	247.426	4.612	0	10	BJAE	
CCC[C@@](N)(CCC(C)(C)CC)[C@@H]1CC1(C)C	707743324	LXURHSBKAZTQQH-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2C[C@H]3CC[C@H](C3)C2)c(C)c1	711044014	ALWFVIYVSZZASS-ZSHCYNCHSA-N	243.394	4.602	0	10	BJAE	
CC[C@H](CC(=O)c1ccc(C)cc1)C(C)(C)C	711100467	ZEEWHMBQSNHJTD-CQSZACIVSA-N	232.367	4.640	0	10	BJAE	
CC[C@H](C[C@H](O)[C@H]1CCC[C@H](C)C1)C(C)(C)C	711180382	NRHVHONIBYTWRZ-XQLPTFJDSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CC(=O)C1CCCCCC1)C(C)(C)C	711186448	JTUPXWMEDARPEW-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCNC[C@H]1CCC[C@@H]1CCC(C)(C)CC	711291587	CMTWXRQMAFQWCG-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1C[C@H]2CCCC[C@@H]21	712389079	NAEBNPXEDKMIOK-TYNCELHUSA-N	249.785	4.639	0	10	BJAE	
CC(C)NCC1(CC(C)(C)C)CCCCCC1	713313790	LYOCSRMIAOLXRH-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
Fc1ccc(CC2=CCCC2)c2ccccc12	714937896	JGVILYIXQRUAPK-UHFFFAOYSA-N	226.294	4.632	0	10	BJAE	
C(CCC1CC1)CN[C@H]1CCCCC12CCCC2	716402642	YLRFFJXDROJGEU-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)CCC(C)(C)C	718498743	YMNVVMQKHJTQDP-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C[C@H](C)C(C)(C)C	718573862	RBXOWDGOLBDOQD-UONOGXRCSA-N	225.420	4.523	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@H](C)C(C)C	718601262	LWCLZAOXVGKEBY-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](C)N[C@H](CC)CC1CCCCC1	720941243	VOQQVWWHLJQFTC-GOEBONIOSA-N	239.447	4.904	0	10	BJAE	
CC1(c2ccc(-c3cccc(F)c3)cc2)CC1	757567370	HYRCRGYMFNJUTF-UHFFFAOYSA-N	226.294	4.544	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1NC1CC2(CCC2)C1	829310497	QLNSTWRELDMOAI-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@H]1CCCN(CCC2=CCCCC2)C1	1460018694	FWIFQCCGEZJBCL-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CCC(CC)CC[C@@](O)(CC)c1ccsc1	1900692272	BKKHJURVHRZYFY-AWEZNQCLSA-N	240.412	4.562	0	10	BJAE	
CCC(CC)CC[C@](C)(N)CCC(C)(C)C	1900714993	YVURXOYZYHMLEB-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CCC(C)=CCCC(=O)c1cccc(Cl)c1	1900868586	KGDQUCRSWZZHFZ-UHFFFAOYSA-N	236.742	4.659	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)CCCCC1CC1	1905381808	LWVPUQQBVCPRLT-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC(C)(C)C)NCC	1905433376	GOELULXTGLNNQQ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H](CC)CCC	1905453455	JSDWRDVVNLYXPE-GJZGRUSLSA-N	227.436	4.748	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC[C@@]12CCC[C@@H]1C2	1908809297	XCPHLOMGIYJNPF-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](CC(C)(C)CC)NCC	1910732651	BRALMJMTGYSENP-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@H]1CCCC[C@@H]1CC	1911933184	BTCWVLYPSUBQQE-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)[C@@](C)(O)c1ccc(CC(C)C)cc1	1919644736	QKNDRBQBDLDMRJ-WMLDXEAASA-N	248.410	4.529	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)C1CC(CC)C1	1921206922	LHJSCNPZBURSMH-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCC1CC(CNC(C)(C)C)(CC(C)C)C1	1921258729	ITVNNBWYUBVQIK-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC1CC([C@@H](N)C[C@H](C)CC(C)(C)C)C1	1921272751	PFBONRQHKRUNLL-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC[C@H]1CC1(C)C	1921570211	IXYCCEPGTLUIPW-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2C=CCCCC2)C1	1925764129	VQDRVSSGCMMNOH-PMPSAXMXSA-N	248.410	4.908	0	10	BJAE	
CC(C)(CNC[C@H]1C=CCCCC1)C1CCCC1	1925945918	OWILFNNUFWFZHS-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
Clc1ccc(C[C@H]2C=CCC2)c(Cl)c1	1932592232	HFEDAJXMIQNYGM-VIFPVBQESA-N	227.134	4.502	0	10	BJAE	
Cc1ccc(O[C@H](C)CCC(C)C)c(C)c1	1937175614	YRAVRPDOBMTNSY-CQSZACIVSA-N	220.356	4.507	0	10	BJAE	
CC1(C[C@H](O)C(C)(C)C2CCC2)CCCCC1	1940415987	PEBBMYRODRLREG-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](O)CCC1CCC(C(C)(C)C)CC1	1941160568	ZZEUTNYRKQCEQW-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
Cc1cccc(OCCCCCC2CC2)c1C	1941592935	YWKUPWYAQOJGCO-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CCN[C@H](C(C)(CC)CC)C1(C)CC(C)(C)C1	1941989542	XXIDPGJGMUUPBA-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
Cc1cscc1NC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C	1942049476	ZIADTARYAMBVMP-AVGNSLFASA-N	249.423	4.541	0	10	BJAE	
CC(C)CC[C@H](C)c1cccc2c1CCCN2	1942656582	BYDOQQQWZQGQQU-ZDUSSCGKSA-N	231.383	4.584	0	10	BJAE	
CCN[C@H]([C@@H](C)CCC(C)C)[C@H](C)C(C)(C)C	1942659860	JYTZOUODFZNSHN-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CCC(CC)[C@@]1(CNC(C)C)CCCC1(C)C	1944475874	QKXULEIYPLRYIZ-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C[C@@H](C)C1CC1)NC	1944517789	NXLLCLOKCRFBBE-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
Clc1ccccc1NC1CCC2(CCC2)CC1	1944599588	FOBFCPQMWTXXAS-UHFFFAOYSA-N	249.785	4.865	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(O)[C@@H](C)CC(C)C)C1	1948334397	YMQOUWCCZQABFB-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@H](N)CCCC1CC1)C1CCCCC1	1948934585	FBCDMQUEMYDSAE-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CC(C)(C)C(C)C	1949006452	KNJJZHNPSDJQPY-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	1949085120	YEQHXDJKZWKPQI-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
Oc1ccc(S[C@H]2CCC3(CCCC3)C2)cc1	1949453628	RISNHBIBNRIQHU-AWEZNQCLSA-N	248.391	4.597	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1ccc(Cl)cc1Cl	1959212413	YFTYLHJRZCTSDP-KWQFWETISA-N	244.165	4.594	0	10	BJAE	
CC=CCCCc1ccc2ccccc2c1	1962719708	KNCOPOLRDHMJGX-UHFFFAOYSA-N	210.320	4.739	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCc1c(C)cccc1C	1963172530	BOKZOIINXRMWNV-XJKSGUPXSA-N	247.426	4.608	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)[C@H](C)CC(C)C)C1	1963181656	FAMKYACUHBAOPZ-ZIAGYGMSSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc([C@H]2CCCN2[C@H](C)CCC(C)C)o1	1964148778	ROAXRMLOCMCBRD-UKRRQHHQSA-N	249.398	4.550	0	10	BJAE	
C[C@]12CCC[C@H]1N(CCC1=CCCCC1)CCC2	1966618762	YDFCMWODZZDCQE-IAGOWNOFSA-N	247.426	4.532	0	10	BJAE	
Cc1ccc(C)c(NCC2[C@@H]3CCCCC[C@@H]23)c1	1968228892	ADXVFQORADYHPI-HUUCEWRRSA-N	243.394	4.542	0	10	BJAE	
Cc1cccc(NC2C[C@H]3CCCC[C@@H]3C2)c1C	1968250782	SWIVDCIGRFLWKD-HUUCEWRRSA-N	243.394	4.684	0	10	BJAE	
Cc1ccccc1NCC[C@H]1CCC[C@H](C)C1	1968253226	ZBUOMRMAPBWSEX-DZGCQCFKSA-N	231.383	4.623	0	10	BJAE	
CC(C)(C)CCCN1CCCCC12CCCC2	1969766401	FFBLARKTHZQTQD-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC(C)(CC)[C@](O)(CC)C1CCCCC1	1975957758	LIKHYMZTNJYXOT-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(Cl)c(C)c1	1993194533	ZANRMYSVKMNPAZ-JTQLQIEISA-N	238.758	4.657	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1CC[C@H](C)C1	1995210457	IRLGWMAYDVOENB-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1C[C@@H]1CCCCCCCCC1=O	1998586154	GGKXTDHMVFSEOB-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)[C@H]1CCCC(C)(C)C1	2000143458	NTKJXBWBFZQECK-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C[C@H](C)CCC	2000387956	PCJVNZSAAWSYSC-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C1(C(C)C)CCC1	2000390246	LORPGTBMPBRPJR-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@H]1CC12CCCCC2	2001225392	OUZQKNPPQAOJPM-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(CN[C@H](C)C[C@@H](C)CC)CC1	2002884344	UIWMBPVRXBSCIR-QRNKSROTSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@H]2CCCCCC[C@H]2O)CCCCC1	2003095804	RKJUWQJZRLRSKW-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@H]1CC[C@H](C)CC1	2003103161	HJELMGPCOZJYFQ-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCN[C@H]1CCCCC12CC2	2005558031	IXNHJWVFWOIIBO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@H]1CCCCC12CC2	2005594981	HODMWCZIRIYNKL-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](CC2CCC(C)(C)CC2)C1	2006660074	CVUBQWSOCDLLNF-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@@H](NCC)C1(C)CCC(C)(C)CC1	2007852315	BYQNGXZUIHSCIU-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC=C(C)[C@@H](N)C1CCC(CCCCC)CC1	2007856805	GHOCKPQQCXVQSE-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](N)C=C2CCCC2)s1	2007937193	MDXBFQRYRYWORH-LBPRGKRZSA-N	249.423	4.546	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@@H]1CCC[C@H]2C[C@@H]12	2008277612	LIGVMKZFPVBKCL-YDHLFZDLSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC)CC(O)(CCC[C@H]2CC2(C)C)C1	2009298948	LYJHQXPBYHMMQZ-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@@]1(O)CCCC[C@H]1C(C)(C)C	2009592874	LZAFXJYBEKGZAM-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCCC1CC(N[C@H](C)C2(C)CCCCC2)C1	2009712929	TXZLVVYIERQRDE-WLYUNCDWSA-N	237.431	4.514	0	10	BJAE	
CC[C@@](N)(C1=CC[C@@H](C(C)(C)C)CC1)C(C)C	2010739053	OYNQPUARSITPSS-CJNGLKHVSA-N	237.431	4.523	0	10	BJAE	
C=C=CCC[C@H](C[C@H](C)CC(C)(C)C)NCC	2010977287	PUCSJTYWKFAMHS-LSDHHAIUSA-N	237.431	4.548	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC[C@]12CCC[C@@H]1C2	2011012794	ZIESDDLLAUKQIH-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
c1cc(CC2CC(=C3CC3)C2)cc(C2CC2)c1	2011087539	QBKFUXAZCGUMGG-UHFFFAOYSA-N	224.347	4.607	0	10	BJAE	
O=C(CCC1C[C@H]2CCC[C@@H]2C1)c1cccs1	2011947797	PSCHMZIGTJVGBA-CHWSQXEVSA-N	248.391	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](N)(CC)CCC(C)C	2013275159	YCHHDBSJROQCEN-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)[C@@H]1CCC1(C)C	2014883172	VEVRHFNGPWXNMJ-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)[C@@H]1CCC1(C)C	2014886234	WRSVRYKSVHPERA-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H](C)CC1(N)CCC(C(C)(C)C)CC1	2015393223	BEQLKVLUIKSYDH-VQCLRJIVSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1CCC=CCC1	2016119857	OECDQASLFMYCFM-INIZCTEOSA-N	235.415	4.587	0	10	BJAE	
C[C@H]([C@@H](N)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017148851	TWCIAGYRJDGJJN-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(C[C@H](CN)C(C)(C)C)CC1	2017728062	HDDKCAGKIRPDJD-YMAMQOFZSA-N	239.447	4.604	0	10	BJAE	
CCCC1CCC(C[C@H](CC)[C@@H](C)NC)CC1	2017731164	OMBQUJMAQQJRDX-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@H](C)NCC)CC1	2017733804	OCARUBKKIMPJGQ-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CN(C)[C@H](C)[C@H]1CCC[C@H](C)C1	2019285689	NVJPBWZJSURHIO-JONQDZQNSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@@](O)(CC)CC(C1CC1)C1CC1	2019682378	BRNCRWWSRVOHDB-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(F)CN(CC(C)C)C1CCCCC1	2020537005	HCXJANRFWIFNCP-UHFFFAOYSA-N	241.394	4.541	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)C1CCC(CC)CC1	2022560369	NYTKXQWQVDGIKY-WUCCLRPBSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCCCC(C)(F)F)CCCC(C)C	2023296375	SMMTUZBWQJMMTO-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CN[C@H](CCCC(C)(F)F)CCC(C)=C(C)C	2023310733	HQXOFBBQGGPWKQ-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)C[C@H]1CCCC(C)(C)C1	2024097172	XCABVPQDPZBOHJ-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC1CC(C)(C)CC(C)(C)C1)C(C)(C)N	2024102818	WFSWJJFXWLUCPC-GFCCVEGCSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H]1CCC[C@@H](C)[C@H]1CCCCCC(C)C	2024509814	IXYMHNBHYZUQSC-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCC1(F)CCC1	2026146305	SHGTUNDOXGANEJ-UONOGXRCSA-N	243.410	4.593	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC1(CC)CCC1	2026166117	HLJRKGQMKUAINF-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)C[C@@H](NC)c1ccccc1C(C)C	2027517365	GJVCCMFSSDEXRY-QGZVFWFLSA-N	247.426	4.897	0	10	BJAE	
CC[C@](O)(CCC[C@H]1CC1(C)C)c1ccccc1	2027843893	UTUHNQZGVUVHMU-RDJZCZTQSA-N	246.394	4.501	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C1CC(C)(C)C1	2028872565	HVFNMYIBNUHTKM-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)CCC=Cc1ccccc1	2032267573	ASUNBTNJZCXBAH-MRXNPFEDSA-N	246.394	4.523	0	10	BJAE	
CC1(CCCC(=O)C23CCC(CC2)C3(C)C)CC1	2033435967	XXSSKBVTWYWVBW-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C1=CCCC1)C1C[C@@H](C)C[C@H](C)C1	2033817285	ZDCJWMDWVWGPMW-GRDNDAEWSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CN[C@@H]1CC12CCCC2)C1CCCCC1	2034028033	NWKCONBLIPGGRX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC=C[C@@H](C)N[C@H](CCCCC)c1ccccc1	2034980177	URBFEUXGLGWALW-NVXWUHKLSA-N	245.410	4.862	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)[C@]12CCCC[C@@H]1C2	2035426808	VXBMQPCRTDGWKC-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCC1)[C@H]1CC[C@H](CC)CC1	2035589749	HVJIVPXIPVFXRD-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C1=CCCCCC1	2037094459	LBPXQIKYCBWLST-WMLDXEAASA-N	247.426	4.731	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C[C@H]1C[C@H]2C[C@H]2C1	2038441166	CECSMYCTWZVXBO-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC2(CC1)CC(Nc1ccccc1)C2	2038932607	GGIOAROPZHTNTE-UHFFFAOYSA-N	243.394	4.848	0	10	BJAE	
CC1CCC(C[C@@H](N)[C@H]2CC23CCCCC3)CC1	2039079689	TXPGNJNWRINYDO-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@H]2CC[C@H]1C2)C1(C)CCCCC1	2039862368	NJCQOBNJXCKNFY-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCC1CCC([C@@](C)(N)C23CCC(CC2)C3)CC1	2039871801	HMXAFIBCMLNZKX-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CCCCCC1CC1)C12CCC(CC1)C2	2039871834	IARSHBFWCLYDKG-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
CCN(C[C@H]1C=CCCCC1)c1ccc(C)cc1	2046571023	ONIGTVILOHJKLK-INIZCTEOSA-N	243.394	4.568	0	10	BJAE	
CN[C@@H](CCCC1CC1)C[C@@H]1CC12CCCCC2	2047005835	WIMVXVZEVYSTBL-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@@H](C[C@H]2CC23CCCCC3)NC)CCC1	2047014083	ZLHHZJCTGGQPJM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@]1([C@H]2C=CCCC2)CCCC(C)(C)C1	2049512594	UPRLSPCFIFBUJM-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCC1(C)CCC(NC2CC3(CCCC3)C2)CC1	2051600336	VEECULLEVMNYFK-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCC1(C2CCC2)CC1	2051905352	KTZAEWOUFZVFGX-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)C1(C2CCC2)CC1	2051909625	SWOGOXVANBAIJA-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@@H](C)N[C@@H]2CCCCC23CC3)CC1	2053334033	ZJLPZRHRKNJSTJ-GYTBAZASSA-N	249.442	4.514	0	10	BJAE	
O[C@H](C1=CCCCCC1)[C@@H]1CCCCC12CCC2	2053364896	FFVIDOFBQKRSTK-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CCCNCC1(C2CC=CC2)CCCCCCC1	2053696165	XIUIKKYUWOIZAP-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCCc1cccc([C@H]2CC(=O)C[C@H](CC)C2)c1	2055138948	PXVLLOVRWUIJLR-CZUORRHYSA-N	244.378	4.502	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCCCC[C@@H]2C(C)C)CCC1	2055553782	CAMYQBVZCXRHIO-ZACQAIPSSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC[C@H](C2(CN)CCC3(CC3)CC2)C1	2056521725	BZJWMBDKPGCBEG-AWEZNQCLSA-N	249.442	4.502	0	10	BJAE	
CCCCC1CC(NC[C@@H]2CC(C)=C[C@H](C)C2)C1	2059489900	KFIJCYRWZNTECB-PXZKZTPFSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CC[C@H]2C[C@@H]1C2	2069219534	CEZLMVFHQRGDFG-VNHYZAJKSA-N	243.394	4.585	0	10	BJAE	
CCCC1(C=C2CCC(C)(C)C[C@@H]2CN)CCC1	2069345655	XDQIDWMYLOLMQW-OAHLLOKOSA-N	249.442	4.668	0	10	BJAE	
CC(C)CC1(C(=O)c2cccc(C(C)C)c2)CC1	2069507515	RNBSBAQKXOHKON-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](NC)c2ccco2)CC1	2072798779	MNMZIEZQWZVFOB-KKUMJFAQSA-N	249.398	4.537	0	10	BJAE	
CCCC1CCC(CN)([C@@H]2C=CCCCC2)CC1	2075373823	SBMNNAPONKDUFZ-AQFXKWCLSA-N	249.442	4.668	0	10	BJAE	
CCCCN(C1CCC1)[C@@H]1CCC12CCCCC2	2076760577	WOZISJHRMZQGPG-MRXNPFEDSA-N	249.442	4.754	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1CC2(C1)CC2(C)C	2077197322	QMZPLRSIMOWXJK-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H]1CC[C@@H]1Nc1ccccc1C1CC1	2077264742	ZEMXRLWRINPQLD-ZBFHGGJFSA-N	243.394	4.801	0	10	BJAE	
CC(C)=C(C)CCNCC[C@@H]1CC2CCC1CC2	2077395138	GQHUEVRRTYTNON-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
O=C(CC1CCC1)C[C@H]1C[C@H]1C1CCCCCC1	2079842098	MNEDSFQDDSFHMX-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@](C)(N)CC1CC2(C1)CC1(CCC1)C2	2083617569	OIAFUJAAWVEVAM-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
C1=C[C@H]2CC[C@H]1C[C@@H]2Nc1ccc2ccccc2c1	2087605931	OHULNVGGSBELRB-YEWWUXTCSA-N	249.357	4.606	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C1(C)CCCC1	2214569350	MNEFWSWWDUXPBG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@@H]1C=CCC1	2214992261	NPCYGAGKRXFTHD-GFCCVEGCSA-N	245.753	4.569	0	10	BJAE	
CCCC[C@](C)(CC[C@H]1C[C@@H]1CC)CNCC	2215264830	GPFHMGJCESGDFZ-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@H]1C)C(C)(C)CCC	2216279860	QDDFXTTYNSSPMR-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@](C)(O)CC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216765106	KVSRINGMZMHUSH-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@]1(C)[C@@H](N)CCCCCCCC1CC1	2216878594	VNOKKXIADLMIQX-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@]1(C)[C@H](O)CCCCCCCC1CC1	2216882602	AWRVKQXBFJZDIN-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@H]1CC[C@H](C)C1	2217125402	PFPBIFWFNGRITO-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](CN[C@@H](C)CC)CC(C)C	2217127804	XTHJUFOYFWXVTE-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)C[C@]1(CN[C@@H](C)CC)CCC1(C)C	2217136119	HWUCOWDSWZZVQA-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CN[C@H](C)CC)C1CCC1	2217152584	GASZCTIHJRTUAO-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(CC=Cc2ccccc2)c(F)c1F	2219077706	FVMCXSZLXARDKO-UHFFFAOYSA-N	244.284	4.529	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)[C@H]1CC=CCC1	2220044418	FKXVXAOJDNGQMA-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@H]1CC[C@H]1C	2220517605	BOCFKFZBMOPINZ-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CCCCC1)C1(C)CC2(CCC2)C1	2221001070	GJNKQJNQODLAKW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2CC[C@H]3C[C@@H]3CC2)C1	2221090179	JRLLGMYYBAGWNC-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CNC[C@]1(CC2(C)CCCCC2)CC=C(C)CC1	2221669450	XKNPOTVBYGFZQN-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC(CC)[C@@]1(CNC2CCC2)CCCC12CC2	2223564003	XQPBKCAEDAKMFG-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CC(C)(C)C(C)C)N2	2224128098	QBBYJXLUKGWQQG-HNNXBMFYSA-N	245.410	4.794	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCOc1ccccc1Cl	2243041094	XBNNTVGXBQQVST-VXGBXAGGSA-N	238.758	4.545	0	10	BJAE	
CC(C)=CCCC(=O)C[C@H]1CCCCC12CC2	2246616475	CPYIIEPHSQGWCV-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H]1CC[C@](O)(CC[C@H]2CCC[C@@H](C)C2)C1	2246690807	FQEIYCDVSBTYEY-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CCCC[C@H]1C[C@H]1C)CNCC	2247162370	BQJWQLCFXJYFJA-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C(=O)C[C@@H]1CCC12CCC2)C(C)C	2247360774	UBKRXMNWQFFXHJ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
N[C@@H](CC1CCCCC1)c1csc(C2CC2)c1	2248054075	GMUCKXMOVZDBMI-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CC1CCC(O)(CCCCC[C@@H]2C[C@@H]2C)CC1	2248874981	YMLFGHUHAVXPDY-PWUWZPNHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C(=O)c1csc2ccccc12	2250352730	OJCRHDMBZLOHET-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@H](C)C1CCCCC1	2250361803	PZDMETSLLYLUHC-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@]12CCC[C@H]1CC2	2251175782	ODHOWKGCGTZFGN-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC)[C@@H]1CC(C)(C)CCC1(C)C	2251677804	ISKVQZRZYFLGJN-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1CC(N)(CC[C@H]2CCCCC23CC3)C1	2253826809	WMLMMZQKFDIDTJ-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H]2CNC23CCCCC3)C1	2253971209	NWKMHSMFDUGEGS-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(OCC2CC3(CCCC3)C2)c1C	2254081448	BHYHHLKMSAXFDB-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CCCNCC1(C[C@@H]2CCC23CCC3)CCCC1	2254822965	VJIOIXSGXBGYIC-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@@H]2CCC23CCC3)CC1	2254843419	HMLHTBYDHZAHFF-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](C)[C@H]1CCC1(C)C	2256145521	YVABHSNNWWFNFP-WCQYABFASA-N	249.373	4.625	0	10	BJAE	
Cc1cc([C@H](N)CCCCC[C@H]2C[C@@H]2C)oc1C	2257247936	MRWRQOQVFMOBMW-AEGPPILISA-N	249.398	4.503	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)CCC12CCCC2	2257313837	WXIWAGRWOXZWKC-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NCCCCC[C@H]1C[C@H]1C)c1ccccc1	2257338613	HZCDNAOPXBORAL-VYDXJSESSA-N	245.410	4.554	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@]12CCCC[C@H]1CC2	2260488958	JSRQRYVYKIZVNF-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@]12CCC[C@@H]1CC2)C1(CC)CC1	2260606207	QFMPIBAXODUUIA-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H](O)C1CCCCCCC1	2298917803	WYUUVVIWQOYHJO-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@]1(CO)CCCCC1(C)C	2300676164	LSPLOFWLVBFBAJ-INIZCTEOSA-N	240.431	4.782	0	10	BJAE	
CCC(CC)CC[C@H](CC1=CCCCC1)NC	2300703288	DMOVRFTUQRVLTG-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301023917	QWMBGYVRSBYMJO-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@]1(CC2CCCCCC2)CCCN1	2301134324	XCFXYLADGUSQHV-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@](C)(CNCC)CC1CCCCCC1	2301244979	QWKUYWJFXXKPJQ-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C1(CN)CCCCCCC1	2301843496	JSJWIDGXHVDJCL-LSDHHAIUSA-N	239.447	4.604	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)CCC1=CCCCC1	2301901016	XRALRQUFZZJJFZ-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@](O)(C[C@H]1CCC(C)(C)C1)C(C)(C)C	2302710172	OCJKTOTXLQAHOE-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C(C)(C)C2CCC2)C1	2302878779	SMHXHLXMDJNFPV-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@@](CN)(CCCC(C)(C)C)CC1	2303470925	KTZMCPGAKUTUSI-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303475155	JYLQOPNTCHCOKZ-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@H](C)NCC[C@@H]1CCC(C)(C)C1	2304359935	IMVXDROVRDANTE-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCNCCC=CCC[C@@H]1CCC(C)(C)C1	2304447460	OCONTGZWVKMAND-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2CCCCCC2=O)C1	2304448109	VAPMFVAITSLMJE-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@@H]1C[C@@H]1CC	2307902015	JMBOFAXSZNKXGB-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1(CC2CC2)CCC1	2307907510	CQWDNZWKXPWQFN-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1	2307911229	TWOPOEIHHRCQDO-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2CC[C@@H]3C[C@@H]3C2)C1	2309169666	KLWJUFBJDHNZBT-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309170953	FLMFNKJLWCATHM-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C[C@@]12CCC[C@@H]1C2	2310880618	AGPUMSGDHFGQQU-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@@H]1C[C@H]1C1CCCC1	2311608384	HTASBPDSHLTBNO-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@@H]1CC(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2311609607	IYZVOCMCBOGCHY-CRNXPOROSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1CC)[C@@]1(C)C=CCC1	2312458541	IUQRPGPWWSGXSH-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CCC[C@@H]1C[C@H]1C)N2	2312640112	BVZTVJNSVQUDFF-IIAWOOMASA-N	243.394	4.548	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1C[C@@H]2CC[C@H]1C2	2312930607	GBMHUSNCQUZGFG-QXSJWSMHSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@]23CCCC[C@@H]2CC3)C[C@H]1C	2313305626	XYGKQJAIMHDUHY-OWVAZHOYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@@]12CCC[C@@H]1CC2)C1CCCC1	2313353255	KUYXOWRMPWSCTD-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1[C@@H](C)CC1CCC1	2313622239	JODKRGRNGMXLDP-OGHNNQOOSA-N	243.394	4.658	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)[C@H](C)CC1CC1	2313642540	STKWRHJYPSKIKT-CYBMUJFWSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CC1)[C@]1(C)CC=CCC1	2313660582	KGCMJCKFWIHZKH-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCc1cc([C@H](O)C2(C)CCCCC2)ccc1C	2314698923	DFMZBOZFIVWWLR-INIZCTEOSA-N	246.394	4.561	0	10	BJAE	
CC(=CC[C@H](N)[C@H]1C[C@H]1C1CC1)CCCC(C)C	2316512047	ZAMGGDPPDQZQSH-ULQDDVLXSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1C[C@H]2CCC[C@@H]2C1	2316539829	OHDVEQUJLVSLKV-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCCCCC1)[C@@H](O)c1ccccc1	2316876148	SAHXAPUZFDQXDS-RHSMWYFYSA-N	246.394	4.717	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@]12CCCC[C@H]1CC2	2318871781	IBIGOKPUUZZTAP-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C=C[C@@H]2CCC[C@H]2N)CC(C)(C)C1	2318949714	RLBZHNYMINPKLM-LSDHHAIUSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@@]12CCC[C@H]1CC2	2320228391	KBYQPPHSNBVEJY-UMPJEAMMSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](NC2CC(CC(C)(C)C)C2)CC1	2320420243	NXUDSGDRWXYOCH-PCKAHOCUSA-N	249.442	4.680	0	10	BJAE	
C[C@@H](CC[C@H]1CCC(C)(C)C1)c1ccc(N)cc1	2321608607	QMDHEUOQTKDZRG-KBPBESRZSA-N	245.410	4.979	0	10	BJAE	
Cc1cc(C(=O)CC[C@@H]2CCC(C)(C)C2)oc1C	2321624540	HTLSCSDUYQLGPS-CYBMUJFWSA-N	248.366	4.686	0	10	BJAE	
CC1=C(C)[C@H](N)[C@@H](CC[C@H]2CCC(C)(C)C2)CC1	2321650140	IXAGPMXQEINOKS-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@H](C=C1C[C@H]2CC[C@H]1C[C@@]2(C)N)CC	2327759249	JGOIDSKBBBVPEK-XJNFMUPTSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cc(C)c(C)cc1C	2328205835	GLQXXEJFBHVYCJ-NVXWUHKLSA-N	247.426	4.828	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccc(Cl)c(Cl)c1	20565847	NBNHYOJGTAFTJC-DTWKUNHWSA-N	246.181	4.840	0	10	BJAE	
CC[C@@H](Nc1ccc(F)cc1)c1ccc(C)cc1	21817542	JTRYTADCTTVPMZ-MRXNPFEDSA-N	243.325	4.697	0	10	BJAE	
CCOCC1CCCCCCCCCCC1	33606701	OGYDYKGQVKCZED-UHFFFAOYSA-N	226.404	4.944	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)c1cccc(Cl)c1	37219240	AASDUKFPTJGBAI-RYUDHWBXSA-N	239.790	4.569	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)c1cccs1	37763773	YGSJOGPZYCHEHP-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CCCCC[C@@H](O)c1ccc(Cl)cc1Cl	40941097	WBQKHYDQNMMLJH-GFCCVEGCSA-N	247.165	4.607	0	10	BJAE	
CCCCc1ccc([C@H](NC)[C@@H](C)C(C)C)cc1	70123075	SQLGNEMIQHXFHL-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC2CCCCCC2)C1	70538003	FCWMBOLDSNDIOT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C2CCC(C)(C)CC2)c1	87941786	LTKKFPBTADTTEA-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)C1CCCCCC1	103996790	OEKQUMWESQDUNQ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC(=O)CC[C@H](CC)c1ccc(C)cc1C	107530201	JXTDDFKNXHYCQW-AWEZNQCLSA-N	232.367	4.556	0	10	BJAE	
Cc1ccc(Cl)cc1[C@@H](O)CCCC(C)C	124293475	OHMJZSQPVUOTTB-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@@](CC)(CNCC(C)C)C1CCC1	127806548	BQTIXITXXMUKNG-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)C[C@H](CNC(C)C)C1CCCC1	128280280	SZVCBGPUZSRSNC-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)C1CCCCCC1	133319504	MIZWTEPBANHEOQ-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1c(C)oc(C)c1C	165788828	NFFJQDWUTXBXBI-KBPBESRZSA-N	248.366	4.604	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C1CCCCC1	167056474	GNAKYGATFSWGNX-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(F)C1(c2ccc(Cl)cc2)CCC1	220500947	OVOXSSOIUMJYJU-UHFFFAOYSA-N	226.722	4.510	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@H]1CCCCC1(C)C	226564312	IZVZIGQNKRWEEA-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cc2ccccc2s1	229269877	VRNNEZZCAUMREC-WCQYABFASA-N	248.391	4.761	0	10	BJAE	
C[C@H](CC1CC1)N[C@H](c1ccccc1)C(C)(C)C	229679560	AFXCSBBCRWWPDE-CZUORRHYSA-N	245.410	4.552	0	10	BJAE	
C[C@H](Nc1cc(F)cc(Cl)c1)c1ccccc1	229993745	OPIWRQKSSQAJSR-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CCCCCC[C@H](NCC)C1(C)CCCCC1	232951617	VUYNTVILSYJFIX-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
C[C@H]([C@@H]1CNc2ccc(Cl)cc21)C(C)(C)C	235571607	UFLLJYJZFWTBPT-SKDRFNHKSA-N	237.774	4.531	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@H]1CCCCC[C@H]1C	251188011	YLVDEHMULLJHFK-VYDXJSESSA-N	245.410	4.614	0	10	BJAE	
CC(C)C[C@@H](C)CNc1c(F)cccc1Cl	300839345	CYSFLPCSGDKRKG-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@H](C)CCCC	300907566	JRFTUANZWHNQAD-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cccc(C2CCC2)c1	305953011	DCXJSVYHXUVTQB-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CSc1csc2cc(Cl)cc(C)c12	307356613	ZDYNPUKXZIPMTD-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CSc1csc2ccc(Cl)c(C)c12	307576826	NWJOXNWMQDVHNY-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(CNC3CC3)CCCC2)C1	311089140	HRDKEXBWRMLIOY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)CC1(CNC)CCC(C)(C)CC1	317146425	HXOLUWXTEHZBIY-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@H](CC/C=C\c1ccccc1)NC	324270061	LBXNZJMRGDBPJU-GQPJMJRUSA-N	245.410	4.648	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCCC)C(C)(F)F	328307088	ZBXTZOYRZMNITQ-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@@H](C)CC(C)C	379608938	GHRPAQYCSVJVFU-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1cc2ccccc2o1	384547755	HVQXGKPCSQIPSY-CYBMUJFWSA-N	245.366	4.649	0	10	BJAE	
CC(C)C(Nc1cccc2ccsc12)C(C)C	386206742	GJHFQVTUWOSAOF-UHFFFAOYSA-N	247.407	4.994	0	10	BJAE	
CC1(CNc2ccc(C(F)F)cc2)CCCC1	386252206	RZZDLDYHWSBVTG-UHFFFAOYSA-N	239.309	4.616	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)c1ccc(C)cc1	386614438	LEONSPVYVWBLGW-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)[C@H](C)C2CCCCC2)c1	386846673	SEUGLTDEJBMABF-PBHICJAKSA-N	246.394	4.553	0	10	BJAE	
C[C@@H](Nc1ccsc1Cl)C1CCCCC1	387251740	QHIABCCKOJZZLV-SECBINFHSA-N	243.803	4.782	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](NC)[C@@H]2C[C@H]2CC)cc1	387683288	RREOXJKAQRCXHH-KFZJALRRSA-N	245.410	4.507	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(OC)c(C)c1	395246018	WMPWLCKSPSLNJS-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CCOc1cc2sc(Cl)cc2cc1CC	396186615	GQMUAJQUKJSEMG-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1csc2c(C)c(C(F)F)ccc12	396201877	PZDUXMVXNZALIY-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
Cc1cc(C(F)(F)F)c2scc(S)c2c1	396292645	CYBCVOFTBQXADX-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
Cc1cc(C(F)(F)F)c2sccc2c1S	396293998	DUHLRDLZEWBBQN-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CSc1csc2c(C(F)F)ccc(C)c12	396414223	ZMMVOVPUFISEDQ-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCc1ccc(NC[C@H]2CCCC[C@H]2CC)cc1	401573004	GJEXYQAXWCOTBO-HZPDHXFCSA-N	245.410	4.877	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)c1coc2ccccc12	404647944	PJEWKXVJNFYBOE-AWEZNQCLSA-N	246.350	4.539	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1cccc(C(C)C)c1	688951768	ZTRFODNMFCGKIM-CJNGLKHVSA-N	233.399	4.507	0	10	BJAE	
CCSc1cccc(NC[C@H]2CC=CCC2)c1	689704507	JLGFJYJZKWMWAI-ZDUSSCGKSA-N	247.407	4.567	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CC12CCCCC2	691175436	JPWXKGFTOMUCGD-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC(C)NC[C@@H]1CCCCC[C@H]1CC1CC=CC1	692059127	LQHDUZISSMPTFV-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCC3(CC3)C2)CC1	695716676	MVXGKCCWIHCUMX-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)C[C@H](N)CCCCCC(C)C	696186190	JWYMIBHTCRRMGI-CQSZACIVSA-N	227.436	4.747	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)C2CCCCC2)C1(C)C	699082076	CFKZVCFCVDMZTI-WBMJQRKESA-N	236.399	4.598	0	10	BJAE	
CCN[C@H]([C@@H]1CC[C@@H](CC)C1)C(C)(CC)CC	701133831	QVIOBBXLGMFPQL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)c1cocc1C	705199217	GQDYTPJNRMYDJB-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNCC[C@@H]1CC=CCC1	706771490	DCKZDTWOFGGIIR-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@H](C)CC(C)(C)C	708297004	KNRVNMWEZIKAQX-UKRRQHHQSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccc(Cl)cc1C	708448598	PCCNRFIBIPAOOR-QMTHXVAHSA-N	240.774	4.508	0	10	BJAE	
CC1(C)CCC(N)(C[C@@H]2CC3CCC2CC3)CC1	709508211	LRMFQPDWABCPCG-NRXISQOPSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C[C@H](N)CCCC(C)(C)C)C(C)(C)C	711111699	KBKJQNOGSSQPSD-UONOGXRCSA-N	241.463	4.993	0	10	BJAE	
CCC[C@@](O)(CC(C)(C)C(C)C)C(C)(C)C	713230607	SUVMFDUJGFSFEF-OAHLLOKOSA-N	228.420	4.636	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCC(C)(C)C[C@H]1NC	717468319	IKBWUKLLHVSWKY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1cc2ccccc2o1	718504392	DIRFDXSQCFFONF-AWEZNQCLSA-N	243.350	4.569	0	10	BJAE	
CC(C)=CCCc1c(O)cc(Cl)cc1Cl	718618276	LOANRQJLHIYUKH-UHFFFAOYSA-N	245.149	4.598	0	10	BJAE	
CCCN[C@H]1CCC[C@@H](CCC(C)=C(C)C)C1	718655487	YGZRUGWZXRJTNV-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCCC2(CC2)C1	723568044	HAIBRMHBBBZORX-OAHLLOKOSA-N	243.394	4.774	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1CCC[C@H](C)C1	1621346292	UTIUDCGATLMBMF-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C1=C[C@@H](CCCNCCC2CCCCCC2)CC1	1621507223	DMZSVRGMUGJRBL-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@@H]1CCC[C@@H](C)CC1	1658872507	WSSVIEUGJBJDOF-XLNGHYISSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](C)N[C@@H]1CCCCC12CCCCC2	1875414880	RWHLOKYXNDMGKO-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@](N)(CC)CCC(CC)CC	1900714612	WSNBSOMMWFCPKP-OAHLLOKOSA-N	227.436	4.891	0	10	BJAE	
CCC(CC)CCN(C)[C@H](C)C(C)(C)CC	1900719016	XAFPCZPWAYSISV-CYBMUJFWSA-N	227.436	4.569	0	10	BJAE	
CCCC[C@](C)(CC=C(C)CC)CNCC	1900823373	QGGKOLXBAWXIGW-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CCCNC[C@](C)(CC)C[C@@H](CC)CCC	1905432216	PQQDOXVASONGKD-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906541974	REFCZZWALSZBHP-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCC[C@H]1C(C)C	1907600197	HSWCRLFFUZUUPS-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@H]1CCC=CCCC1	1910661872	AAAOHCWFBDGKMQ-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](C)CC1=O	1916059431	RWHQMPHQIJQJGK-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H](C)C(C)(C)C	1920185863	MPZCDRPDGMKEPW-HIFRSBDPSA-N	227.436	4.747	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C1CC(CC)C1	1921273077	QJQSUSMJFSWADU-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(F)c(C[C@@H]2C=CCCCC2)c(F)c1	1925855091	SQPCBAQHFOGUBV-GFCCVEGCSA-N	236.305	4.562	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@H]1C[C@@H]1CC	1926172203	BTKPKTSVGCGGAO-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1csc([C@@H]2CCC(C)(C)C2)n1	1938014343	XZFBCDCLMKXZAZ-GHMZBOCLSA-N	237.412	4.950	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](N)CC1(C)CCCCC1	1940407769	JLJGLSDFZYVMOE-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CC1(C)CCCCC1	1940411634	XOSCUSDFNCBVOC-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	1940629903	HXBVRFQQZHMZLN-HLPPOEQASA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CC2CC(C)C2)CC1	1940669423	ISAVUPCLHPCQLY-GRAKBVBRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCC1=CCCCC1	1941267946	YQDNXVLECLFHJR-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(CCC2CCC2)C1	1941471681	GAGBJGMIOQVDLA-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@H](C)CC	1941819125	SAKKBBWGCVBAJY-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)C[C@H](C)CC(C)(C)C1	1949046079	AMKPOLHGOFTTSN-CJNGLKHVSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2CCC3(CCC3)CC2)[C@@H]1C	1967790279	ICSKATPXVFEIMZ-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1NC1CCC2(CCC2)CC1	1967790861	KKULPKPJCBQKRM-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(COc1cccc(Cl)c1)C(C)C	1968273516	YRRXIOMUWITYIU-UHFFFAOYSA-N	240.774	4.647	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C)CCC2CC2)cc1	1968293643	LUBVQNHPSIFEEP-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
CC[C@H](NC(C(C)C)C(C)C)c1cccc(C)c1	1968604450	RHLIPDKOXNNXDS-INIZCTEOSA-N	247.426	4.716	0	10	BJAE	
CCC[C@H](C)N[C@@H]1CCCC2(CCCCC2)C1	1968900796	WWEZZEJYLPQALB-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
C[C@H]1C[C@@H](NC2(C3CCCCC3)CC2)CC[C@H]1C	1970594551	FSJYCDCBUHZIKY-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
FC1(F)CCC[C@@H](C[C@H]2C=CCCCC2)C1	1978410671	MIJMJNGGZYICNH-STQMWFEESA-N	228.326	4.948	0	10	BJAE	
CCC(C)(CC)C1(O)CCCCCCCC1	1980347470	WXVSUAVCZJJGAT-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CCCC[C@@H](CC)CCC(=O)c1cccs1	1980687436	MYEBQMQCPJOCPN-GFCCVEGCSA-N	238.396	4.927	0	10	BJAE	
CCCCC[C@@H](N)[C@H]1CC[C@H](CCC)CC1	1989785887	SRLNBIMTMLSEQO-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1CC(C)(C)C1	1990093191	INBCHCFXKWFYOK-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)C1(C)CCCCC1	1995986361	DOTPLADJQOGEQX-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@](N)(C[C@H](C)CC(C)C)C1CCCCC1	1996593812	ICXNVRAYMHCSDX-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC1CC(C(C)(C)C)C1	1998259807	VWRMRHQTRWGYSM-VXGQWTEUSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CC)[C@@H](C[C@H](C)C(C)(C)C)NC	2000318743	DZRSJWDYXKBGCO-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H](C)[C@@H](C)CC	2000380544	WCYAHHAACODUOH-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](C1=CCCCC1)c1sc(C)cc1C	2000381323	CXWZMBPPMXVAFO-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1[C@H]2CCCCC[C@H]21	2002198895	ASIBBBKMATVGMJ-FICVDOATSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2002231046	NGKMLWZIMVRITA-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@]2(O)CCC[C@@H](C(C)(C)C)CC2)CC1	2002502525	ABWZCAMVXGHYJY-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC([C@](C)(O)CC(C)(C)C)CC1	2002925780	UEMFNKAIGMXQIV-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)[C@H]1CCC[C@@H](C)C1	2003017313	IPEBNAKNFXLGDS-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)CCN[C@H](C)[C@H]1CCCC(C)(C)C1	2003017572	IYZHPFXOSDTMCV-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@H](N)C2=CCCCCCC2)CCCC1	2003185487	SOJQXCPQINNEOS-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@@H](C[C@@H]1CCCC2(CC2)C1)NCC	2003213174	CDHQICBPYVZXKT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CC=C(C)C)c1cc2ccccc2s1	2004233972	NHBSUYMWWPHEEQ-CYBMUJFWSA-N	245.391	4.518	0	10	BJAE	
CCC[C@H](CC)NCC1(C)CCCCCCC1	2004936819	FWOWQSXWTZMDLC-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
C[C@H](CC1CC1)NCC1(C)CCCCCCC1	2004937860	VXYTUJVTYZCXNS-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCCCC12CCC2	2005599536	ICEGTXVINOUVPD-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1C[C@H](CCC(C)(C)CC)C[C@H](NC)C1	2006633442	ZIRGQYNDABVKNL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](C=C1CCCC1)NCC	2007938779	BBEAORUGPPBIRW-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCNc1cccc2ccccc12	2009588335	JWWSRAVDUISBNL-NSCUHMNNSA-N	225.335	4.608	0	10	BJAE	
C/C=C/CCCC1(N)CCC(C(C)(C)C)CC1	2009628312	MXMDIEUHVDDRRS-AATRIKPKSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@@H](CCC)CC1=CC[C@@H](CC)CC1	2010770350	XXOXJPFDOVXJKW-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
C=C=CCCC(=O)C1CC(C)(C)CC(C)(C)C1	2010973680	HUBTVYVLUZIWBU-UHFFFAOYSA-N	234.383	4.529	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)CC1(C)CCCC1	2015276614	ZHWNBLVQPPFKAY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC1(CN)CCCCCC1)C(C)C	2015409004	NJZCCZCDTSQHID-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2C=CCCC2)CCC1	2017128629	FJDGDCSAJNXVNV-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2CCCC2(C)C)CCC1	2017129515	PLAKCJGYXUEFOL-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(C[C@@]2(N)CCCCC[C@@H]2C)CCC1	2017141171	AZFLKMDRAOYNSK-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CCCC2(C)C)CCC1	2017147292	BEEFCYALESVBEC-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C)[C@@H](C)CC1CCC(CC)CC1	2017721577	LFYKEILZIUSWNY-FXQLRMTLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C[C@H]2CC[C@H](CC)CC2)N1	2017736648	YODQXTCVJWEOBT-VGWMRTNUSA-N	237.431	4.514	0	10	BJAE	
CC1(CC(=O)C[C@H]2CC[C@H](C)CC2)CCCC1	2017775247	ZJVAPXPMJNHLNP-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CCC[C@H](C)CC2)CC1	2018971197	WUYWNPUTHSRJOQ-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H]1CCCC(C)(C)C1	2020971617	MLDBIUSOYRPYRM-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)C(C)(C)C1CCCC1	2022553659	HVTMNZFGOIOSGB-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)c1sc(C)cc1C	2022682574	DWBVSKYPDCHMIZ-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CC(C)C[C@@H](N)CC1CC(C)(C)CC(C)(C)C1	2024092346	QGQGTWDPEWHPRD-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](N)CCC1CC(C)(C)CC(C)(C)C1	2024102725	VLBFYNAYDKDSFH-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)C1CC(C(C)C)C1	2026163770	NBXISEHQASKDFC-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C1CCC(N[C@]23CCCC[C@H]2C3)CC1	2026961552	RQVMZPUFIJQSIB-INTUILBWSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]32)cc1	2027320036	QTSNWQXGTMXGTB-VBNZEHGJSA-N	243.394	4.585	0	10	BJAE	
C[C@H]1CC[C@@H](C)[C@H](C)[C@H]1NCCC1=CCCCC1	2027793640	ODGXKLYONPSUNU-AESZEHBQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@](C)(F)c2cccc(N)c2)C[C@H]1C	2027940185	MFDQGXCRTCPRAF-HLSYRSCKSA-N	249.373	4.526	0	10	BJAE	
CCN[C@@H](c1ccc(CC)cc1)[C@H](CC)C(C)C	2028252780	QUVZKVNRTIEURF-SJORKVTESA-N	247.426	4.582	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1cccc(C2CC2)c1	2028552447	PGANYIQHARDOFL-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCC1(C[C@H](N)c2ccc(C3CC3)cc2)CCC1	2029069545	MUVIJYXBAMYCCS-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC=C[C@@H](NCCC)c1ccccc1C1CCC1	2029073146	BEDANJJZSKBXDS-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@@H]2CC3CCC2CC3)C1	2033382044	BRPYBOGQQWDVEB-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1cc2ccccc2o1	2037080671	URTXKDVNGHVQOV-OAHLLOKOSA-N	245.366	4.649	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1ccccc1C1CC1	2037105133	XCNPCGMOMZTSKU-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCCC12CCCCC2	2037170958	XLWIQCUHAVVMRW-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)CC1CCC=CCC1	2037207594	BQNZYNHWNPVWIV-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC(C)(C(=O)CC1CC2(CCC2)C1)C1CCCC1	2038082962	KGASCBYGDQUIFI-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CCC[C@H](C)CC2)ccc1F	2039379258	ZTEVBGADNQWFML-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1ccc(C)cc1C	2039446295	GDFVYMXQELIZRM-GDBMZVCRSA-N	243.394	4.708	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@@H]2CCC=CCCC2)C1	2045327746	XZNYGBVIEULKNH-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(NC[C@]1(C)CC=CCC1)C1CCCCC1	2047717054	BCBCQZNVYJRMKN-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@](N)(C[C@H]1[C@H]2CCCC[C@H]21)C1CCCCC1	2048442387	UZQVBWGVUVWKSZ-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048465478	KFNHXPRIBJWCMA-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@H]1[C@H]2CCCCC[C@H]21	2049210591	CPWTYEIDNRRBJO-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@@](C)(N)C[C@@H]2CC23CC3)CC1	2049487559	YEBCUBOAETZLLB-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(CNC2CCCCCCCC2)c1	2049671089	APQYUWXYIHJBIW-UHFFFAOYSA-N	245.410	4.588	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@@H]1C[C@H]2C=C[C@H]1CC2	2049704775	PBVKVMFTJIIOKR-VGWMRTNUSA-N	246.394	4.518	0	10	BJAE	
CCC1(C)CC([C@@H](N)CC2CCC3(CC2)CC3)C1	2049847901	FNDFFNKLFLUBGI-PCKAHOCUSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CCC(CN[C@@]2(C)C=CCCC2)CC1	2049971968	YXFZXKQOAHETDW-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@@]1(C2CC=CC2)CCCC(C)(C)CC1	2053708382	ZDKIDDBOHSAUIT-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@H]2CC=CCC2)CC1	2056535548	FJWONDAFSPZEIT-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)CC[C@@H]1C[C@@H]1C=CCC1	2059003012	KETFZLSZOZTGTH-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)C1(CCC)CC1	2060928285	DIESWZYOZSJPFQ-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H]2CCC[C@H](CC)C2)CC1	2061098425	JCROOEMWMHCQKQ-OHFALNGGSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](C1CCC1)[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2061115517	ICNALICDDSJEOO-MAZHCROVSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CC[C@@H](C)[C@@H](C)C2)CC1	2061121924	KPABLNBMRKSCIN-DLTWYDFYSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)C(C)(C)C2CCC2)CC1	2061147712	PTLOWYJIOXNKIM-BBRMVZONSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](CC(C)(C)C2CC2)NC)CC1	2061148638	WMNRTFUUFDBPRO-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@H]1CCCCC[C@H]1CNCC(C)C	2061562353	CGELMMKAPLJCSI-IRXDYDNUSA-N	249.442	4.550	0	10	BJAE	
C1CCC2(C1)C[C@@H](CC1CC(=C3CC3)C1)CCO2	2061718285	JLAJHXLJGZGDCK-CYBMUJFWSA-N	246.394	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2CC(=C3CCC3)C2)C1	2061738906	IEMXXSOJCAROGT-CXAGYDPISA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CC[C@H](NCCC23CCC(CC2)CC3)C1	2065258285	HRJPJKONLJXFJH-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC12CCC(CC1)CC2)C1(CC)CC1	2065310686	PGUQOJFQCDIMPR-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(NCCCCCCC(C)C)n1	2066356376	ITLCLCAKZLDAPI-UHFFFAOYSA-N	248.414	4.662	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC=CCCC2)CCC1(C)C	2068230863	SXKIRIDIRJWZFA-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
O=C(CCC1CCCCC1)CC1C[C@H]2CC[C@@H]2C1	2068712951	JDDDSCQSJLMQEE-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@H]1CC12CCC2)C1CCCCCC1	2069202667	PLNGTZZGPFHVIG-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)C2CC=CC2)c1	2070806929	FWFNYCYTBVAGMU-ZDUSSCGKSA-N	243.394	4.578	0	10	BJAE	
CNCC1(C[C@]23CCC[C@H]2C3)CCCCCCC1	2070959048	NGGRGFBMQICEOL-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1CC2(C1)CC21CC1	2072235552	AECDJNZVDMSUPB-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@H](C)c2ccccc2)CC1	2072682070	QFGHPUGHKABGAU-BZUAXINKSA-N	245.410	4.554	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CC[C@H]3CC[C@H]2C3)CC1	2072805960	HKGGFABKTFUBLN-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@]2(N)C=C(C)CCC2)CC1	2072878086	JKIUPCORJTYKGC-OFLPRAFFSA-N	249.442	4.811	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@@]23CCCC[C@H]2C3)CC1	2074024939	LDINLEBSIBVWSP-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
C(CC1CCCC1)=C1CCNC2(CCCCC2)C1	2074133276	LBNQJWRILGYPSN-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2C[C@H]2C2CCCCCC2)C1	2079527320	HPMLJZZZBQXQAU-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1ccc(C2(C)CC2)cc1	2079650257	JIIOFVKYANNJOS-ZIAGYGMSSA-N	243.394	4.586	0	10	BJAE	
CC(C)(C)c1ccccc1OCC(F)=C1CCC1	2081594983	QRLYVVPOGXRZQI-UHFFFAOYSA-N	248.341	4.770	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H]1CCC2(CCCC2)C1	2081777603	FQUXDHQDLWGDDJ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](CC)[C@H]1CC1(C)C	2081947956	YCQJAEIYJMCUIJ-ZIAGYGMSSA-N	249.373	4.625	0	10	BJAE	
CC(C)(C)NCCCC1CC2(C1)CC1(CCC1)C2	2083615603	NVERFGNWKYHKHZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1C[C@H](CC(C)(C)C)C1	2213119454	PWECYONQBBAIMY-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
CC(C)(NCCCCCCC1CC1)C1CCC1	2213577467	BWLXWRIUHPXDQC-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNCCCCCCC(C)C	2215313551	SZOJNGXUDCEJFT-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC1(C)CC2(CCC2)C1	2215387059	OETUOINJZCFVKR-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@@]1(C)CC=C(C)CC1	2215812040	HGTZTKXWDNZKIF-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC(C)(C)C)CC=CCC1	2217124242	FSTLKYSRKCNZTK-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@]1(CN[C@H](C)CC)CC12CCC2	2217129699	LJNAFLFDOBWQSV-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@]1(CN[C@@H](C)CC)CC12CCCCC2	2217142438	WFIMDYIHWQFLQF-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@H](CC1(C)CCCC1)C(C)C	2217145219	NDRHAEWYIHOXGD-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CC1CC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218362204	VBTOUPVRNRRRFM-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCNC1(C2CCC2)CCC1	2218718120	KLTWNPKVTONXFU-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CC[C@H]2C[C@H]2C1	2218733202	WGXUQSJCAZCLNG-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NCC1(C)CC2(CCC2)C1)C1CCCCC1	2220936968	VLMYXOQCNKPSLF-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@]1(C)CC=C(C)CC1	2221642569	HFBNOZDJCPVYBL-BFYDXBDKSA-N	248.410	4.908	0	10	BJAE	
CC1=CC[C@H](CN[C@@H]2CCCC[C@H]2C(C)C)CC1	2221669478	XOINUTJRUDSZIP-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCC[C@H]1C1(CNC2CCC2)CCCC1	2223594697	MOOIVUHPNHRGOU-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CCC2)CCC=CCCC1	2223602269	ZBBLGJREQHOAFF-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCCC(=O)c1ccc(C2CCC2)cc1	2223683667	LAIIHAQXOBETGQ-NSCUHMNNSA-N	242.362	4.883	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)C2CCCCCC2)cc1	2223969068	OHTABXDZPGYTFQ-CQSZACIVSA-N	244.378	4.638	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@H](C)CC(C)C)N2	2224120046	IXGPZBNMSQYYAL-GDBMZVCRSA-N	245.410	4.794	0	10	BJAE	
CCCN[C@@H](c1ccc2occc2c1)C(C)(C)C	2224129080	BLQNKNZQAIJKLX-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CC1(C)CCCCC1	2244780325	GFKUWXPAKKZVEL-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CC1CC(C)(C[C@@]2(N)CCCCCC2(C)C)C1	2246540103	OZVBLTAWJHEZKU-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](C)(N)C2CCCC2)C1	2246669663	UFOVIWFEHSUGEF-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCSc2cccc(N)c2)C1	2246724197	CNDNKPAEPHDSJY-CHWSQXEVSA-N	249.423	4.577	0	10	BJAE	
CCCC1CC(N)(CCCCC[C@H]2C[C@H]2C)C1	2248817132	VEKFHVKFSGEBRM-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCCCC(C)(C)NCCCCC[C@@H]1C[C@H]1C	2248865931	MMRYSSBOCMPKOS-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC1CC(O)(CCCCC[C@H]2C[C@@H]2C)C1	2248868897	DYDGEJVLTAJAJO-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cccc(C(C)(C)C)c1	2249309677	XCLWNUDZJAMXCQ-STQMWFEESA-N	233.399	4.831	0	10	BJAE	
CCCC1([C@@H](N)c2ccc(C3CCC3)s2)CC1	2250295382	UYMPIUAKLPORDZ-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCC1=CCCCC1)NC	2250356241	DIUSMIBKGDGYCM-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@H](N)CC[C@@H](C)CCCC(C)C	2250486292	QSDYSEWJZDRCQT-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC)NC[C@@]12CCCC[C@H]1CC2	2251157977	LGWOVJFKDZETQD-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCC[C@H]1[C@H](N)C(C)(C)CCC1(C)C	2251697992	QDJPZUJNFOQROG-AGKLADILSA-N	237.431	4.523	0	10	BJAE	
N[C@@H](CC[C@@H]1CCCCC12CC2)C1CCCCC1	2253858910	XBTJLOMNPNLTKT-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
NC[C@@H]1CCCC[C@H]1CC[C@@H]1CCCCC12CC2	2253887635	YETIFJLCRZLDOJ-JYJNAYRXSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](CCCC[C@H]1C[C@@H]1C)c1ccoc1	2254607934	USTYTPZYZNAPQJ-OFQRWUPVSA-N	249.398	4.537	0	10	BJAE	
CCCc1ccccc1NC[C@@H]1CCC12CCC2	2254969382	TWPYYXMDAYQGOT-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
CC(C)(C)C1([C@@H](N)C[C@H]2CCC23CCC3)CCC1	2255018623	PNWUMLFRKKGYOA-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(CN)(CC[C@H]2CCCC23CC3)CC1	2255257839	GUDHCBQDILAVOD-HWOWSKLDSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](CC[C@H]1CCCC12CC2)C1CCCC1	2255277945	JOXHGGOJIONZRZ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C[C@H](N)CC[C@H]1CCCC12CC2)C1CC1	2255291790	RVYAEYMSHPEHTA-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)C1CC2(CCC2)C1	2257280188	FKPFURAFWXCOJI-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccccc1C1CCC1	2259438728	YAIODKKGSPPWME-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CCCC1(C[C@H](N)[C@@]23CCCC[C@H]2CC3)CCC1	2260500070	IKYHSBHPSZJHSP-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NC[C@@]12CCC[C@H]1CC2)C1(C)CCCCC1	2260632187	BMJLTGVYCPTAPE-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@H](N)C[C@]23CCCC[C@H]2CC3)CC1	2260677057	CNEFLIIRSRKGCN-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@]1(C)CNc1cccc(C2CCCC2)c1	2260715591	HZZDTNUSDKWYFM-GUYCJALGSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](N[C@@H]2CCCC23CC3)C1	2261403880	YCKAGLMWIPFHJL-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CC1CC(CCC(=O)C[C@@H](C)c2ccccc2)C1	2261506906	DNQQNZHEYJAMGZ-SHARSMKWSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CCC2(C)CCCCC2)N1	2300188000	YMHKMAUTCDHXDB-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
C=CC=CCCNc1cc(C2CC2)ccc1Cl	2300669625	LNYRRRMRODBIFG-UHFFFAOYSA-N	247.769	4.762	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)[C@H]1CC1(C)C	2300675505	FXSMFBKBWHVGJA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](O)CC1CC2(CCC2)C1	2300675684	HISXSOFIDKNWPV-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)C[C@H]1CCC(C)(C)C1	2302753217	LSPFESPDNPDTGV-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1C(=O)C1CCCCCC1	2303442780	NODMKWRLFRBOMW-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1CC[C@H]1C(C)(C)C	2303455664	XXYODBYRUDGVCC-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@H]1CC[C@H]1C(C)(C)C	2303478896	UTJVILQMFMKJBX-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CCc1cc(F)cc(NCCCCC(C)C)c1	2304018885	ILRLIMCXKGUQQF-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
CCC1CCC(c2nc([C@@H]3C[C@@H]3C)cs2)CC1	2307690068	YIYPRGPTOFRIAG-YWPUVAFDSA-N	249.423	4.950	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1c(C)cccc1C	2307900068	FCLPUKUUZKSNMD-HUUCEWRRSA-N	233.399	4.520	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309899602	KMXBMXPYPGSVDP-HJTLVLNNSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CC[C@@]12CCC[C@@H]1C2	2310381757	KGCQASXTMIHLTA-MZBWOGCUSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1(CCF)CC1	2315877063	DCDABKKYPXAGRQ-UHFFFAOYSA-N	249.373	4.670	0	10	BJAE	
CCC(CC)CC[C@H](N)CCCc1ccccc1	2316247467	DZNFWZFWLUHQAB-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1ccc(C)cc1C	2316501258	GFDYFCYBWTXONL-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1C(C)=CCC[C@H]1C	2316502541	LPZCTZMHOSVSJH-BRWVUGGUSA-N	249.442	4.703	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316948792	XPDMBQFPOHJNLJ-OFQRWUPVSA-N	249.442	4.514	0	10	BJAE	
CC1(CCC(=O)C[C@H]2C[C@H]3C=C[C@H]2CCC3)CC1	2317207333	SGEHQJMTAWCTMV-RBSFLKMASA-N	246.394	4.518	0	10	BJAE	
CCC[C@H](N[C@@H]1CC(C)(C)[C@@H]1C)c1ccccc1	2318252402	CMGJMHBIDTYBJG-VNQPRFMTSA-N	245.410	4.552	0	10	BJAE	
CC1([C@H](N)CCCC2=CCCCC2)CCCCC1	2318570076	VHFJTZLTBAHPCU-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@H]1CC12CCCC2	2318577994	IHJCDQKWTPOFFO-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CC[C@H]3CCCC[C@@H]3N2)C1	2319127679	BUFKTVFGIDOJGB-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCC23CCCC3)CC1	2320336014	DXZQJOGPKWKNPL-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(O)CCCCC23CC3)CC1	2320337797	PVWROPBUQAYDMR-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@@H]2CCC(C)=C(C)C2)C1	2320387637	IQPGPNQOFPRJFB-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1	2320415179	YFGOCZGMDAGHIW-MWQQHZPXSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)CC2(C)CCCC2)CC1	2320416713	MWUJEEHPPFXKPL-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC=CCCC[C@H](N)c1cccc(C2CCC2)c1	2320651313	FXXIIEWAJFXVEU-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CCC1(C[C@@H](N)c2cccc(C3CCC3)c2)CC1	2320657050	JCLBYBYYDCJZBN-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC(C)CC12CC([C@H](N)C3CCCCCC3)(C1)C2	2321590678	WESNZDOJDLRLHE-KLAILNCOSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@]2(O)CCCC2(C)C)c1	2327702204	VUCAOUMBIYMOQO-KRWDZBQOSA-N	246.394	4.516	0	10	BJAE	
CCCCCCc1ccc([C@@H]2CCCC2=O)cc1	2327921983	WLJUWYZESPWWES-INIZCTEOSA-N	244.378	4.646	0	10	BJAE	
CCCCNc1ccc(Oc2ccccc2)cc1	6868988	JKDYZFXLBXXAJM-UHFFFAOYSA-N	241.334	4.691	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)c1ccco1	19907248	CDDQERIOIZLVNH-LBPRGKRZSA-N	229.323	4.576	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cc(C)cc(C)c2)cc1	20551173	YFCXLUNTWAEKFL-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCC(CC)Nc1cc(Cl)ccc1Cl	21506463	RIGLQMFUJATYFX-UHFFFAOYSA-N	232.154	4.594	0	10	BJAE	
Cc1cc(C)c([C@@H](C)N[C@H](C)CC(C)C)cc1C	37260630	LHLCPVFJYHWIKC-HZPDHXFCSA-N	247.426	4.697	0	10	BJAE	
CC(C)(C)c1ccc([C@H]2CCCCCC2=O)cc1	60711074	QDLSFDWHRFLKPO-OAHLLOKOSA-N	244.378	4.601	0	10	BJAE	
CCC(C)(C)[C@H](O)c1ccc(C)c2ccccc12	79905674	ZVCXOONDBCTHNO-MRXNPFEDSA-N	242.362	4.618	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CCC(=O)c1ccccc1	80385402	PTVADKOBWLVGCQ-LSDHHAIUSA-N	244.378	4.866	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccc3sccc3c2)C1	80445189	QRZDVWMLKXUSQN-AAEUAGOBSA-N	245.391	4.892	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC[C@@H](C3CC3)C2)c1	81624395	ZVFRRWQNJAFXJT-HZPDHXFCSA-N	243.394	4.684	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H](C)C(CC)CC	82632462	MPQCVOCXTQKBRA-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccccc2Cl)CC1	83427130	DCVHTNORDBUBGV-VXGBXAGGSA-N	237.774	4.721	0	10	BJAE	
CCN[C@H](C)CC(C)(C)[C@H]1CCCC[C@@H]1CC	84416601	LZUVQWLWRPLOSB-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](C)CC[C@@H]1NC	109660986	DSKQHDUBSYPXCJ-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1cc2ccccc2o1	125281839	JGQRLNSDOOHHPF-LBPRGKRZSA-N	244.334	4.832	0	10	BJAE	
CCCCCC[C@@H](CNCC(C)C)C(C)(C)C	162417200	FLJHFIBWDBKTEK-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
CCCCC[C@H](NC1CC(C)C1)c1ccccc1	163674067	OXNDOZUFRAYGOM-PREGVCBESA-N	245.410	4.696	0	10	BJAE	
CC(C)CCC[C@@H]1CCCC[C@H]1CNC(C)C	166350548	MOVWUICZQKRYJP-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)CC1CCCCC1)C(C)(C)C	168006163	JCSZDYWSKIKQKR-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(C)c(OCCC2CCCCC2)c1	200908843	DVZNYRDEJSMHOX-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)CCOC1=CCCCC1	207478360	NIOXZUNIZKKRNM-ZIAGYGMSSA-N	224.388	4.779	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H]1CCCCC1(C)C	226819828	XAJMUIRBHHOMFD-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@H](C)CC[C@H]2C)c1C	227003497	GUGMFXKLUCCGSW-AXAPSJFSSA-N	231.383	4.540	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C(C)C)C2)c(F)c1	230987590	RFZBRLXKSUUWKP-ZIAGYGMSSA-N	249.373	4.761	0	10	BJAE	
CC(C)(C)CC[C@H]1CNc2c(Cl)cccc21	232496399	FTJQJSIMTYGNRN-JTQLQIEISA-N	237.774	4.675	0	10	BJAE	
CCCCC[C@@H](C)[C@H]1CNc2ccc(C)cc21	232958282	TXXQLIQOIGPMHC-UKRRQHHQSA-N	231.383	4.721	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	251081876	PWDGYPLBJXRFGX-FOLVSLTJSA-N	231.383	4.540	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)C[C@H]2C)cc1C	251148790	JGHVZEBTJQPLDT-DJSGYFEHSA-N	231.383	4.540	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)C[C@H]2C)c(C)c1	251152596	JBSUEXFDJKSSNX-JGGQBBKZSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H](C)c2ccc(C)cc2C)C1	251783520	WXSWYZNJPRTAIM-BZUAXINKSA-N	245.410	4.533	0	10	BJAE	
CC(C)SCc1csc2cccc(F)c12	258997530	ZJSZHUUBJRZXLL-UHFFFAOYSA-N	240.368	4.682	0	10	BJAE	
CC1(C)CCC([C@H](O)CCC2CCCC2)CC1	302263981	PMPLPKHWAVZQFH-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(CCC2CCCCC2)C1	302274300	SCHGHNIPOIFMJR-MIFYACCESA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)c1ccc(C)cc1	302341727	VAEVFLJXTBNOJN-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCCc1ccc(C(=O)CCC(C)(C)C)cc1	304145133	LBDYMMJFGMFYNC-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1cc2ccccc2s1	306105803	SGECLFONUMQQJC-XHDPSFHLSA-N	248.391	4.617	0	10	BJAE	
Fc1ccc2sc(C(F)F)c(Cl)c2c1	307493609	KSHCIFDZEBOWRH-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1csc2ccc(Cl)c(Cl)c12	307657572	CTRPXUZWSXTZMV-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CC(C)CC1(C(=O)CC2(C)CCC2)CCCC1	310116631	HETCTUCNFXJZIX-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC1(Cn2ccc3ccc(C)cc32)CCC1	310481133	DVLJBCITXDTQEB-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCNCC1(CC2(C)CCCC2)CCCCC1	310543729	RSIWQDUVALMMTK-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCCCC1(CNC2CC2)CCCCCC1	317775544	OUOYYASAFRWDMS-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCC(CC)C[C@]1(CNC(C)C)CC[C@H](C)C1	317904124	JQZISYBLIKUKKT-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@](CCC2=CCCCC2)(CNC)C1	318065791	VEVDZXDUAXEKGL-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CCCNC[C@@]1(CCCC(C)C)CCC[C@H]1C	319121882	IGFCFOATSCVKMF-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CCC[C@@H]2C[C@@H]21	378887769	NDZGASOFDJYQPF-VNHYZAJKSA-N	243.394	4.585	0	10	BJAE	
CCN[C@H](CCC1CCCC1)c1cc(C)c(C)o1	380640574	SSLYWEVETVHKOM-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
O=C(CCC1CCCC1)C(C1CCC1)C1CCC1	380753156	NNFJDHRTNNTRRJ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCCCCN[C@H](C)c1cccs1	383160200	PZQHUNDZNQHSFW-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCNC[C@@H]1CCC[C@@H]1CCCCCC(C)C	383262186	XVKOOHAORAEZSS-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCC[C@]1(CN)CCCC[C@@H]1C	384786803	UXWHCWTWMLMOJS-JKSUJKDBSA-N	239.447	4.748	0	10	BJAE	
CN[C@@H](CCCCC1=CCCCC1)C(C)(C)C	384894142	ZGHQFCVXENIVML-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCOc1ccccc1N[C@@H](C)CCC(C)(C)C	385404272	OMEJBGHHTLZFPQ-ZDUSSCGKSA-N	249.398	4.712	0	10	BJAE	
C/C(=C/CCNCC(C)C)CCCC(C)(C)C	393895460	TVUIFPWATJQSTC-GDNBJRDFSA-N	239.447	4.785	0	10	BJAE	
CC[C@H](C)CCN[C@@H](C)c1ccc(C(C)C)cc1	394393406	YWJZTVHIVNDAHY-GJZGRUSLSA-N	247.426	4.897	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC2CCCCCC2)C1	394553022	GREZMOIWECAEKN-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCCC(C)(C)C1	394864778	OGPGUGTZZNRZSW-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCc1cc2sccc2c(S)c1C(F)F	396249124	RKJVMARJWYZAJG-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1cc(C(F)(F)F)c(C)c2sccc12	396295696	CORJIKQBVQBTJN-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCC[C@](O)(CC1(C)CCCC1)[C@@H]1CC1(C)C	397665114	XWIQUNHXZJOCGY-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccc2c(c1)CCCC2	404625088	CCAUODRBRKKOQE-DYVFJYSZSA-N	243.394	4.556	0	10	BJAE	
CC[C@H](NCCC(C)(C)CC)c1ccsc1	686305733	ZYLGUPSORYCWSU-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CC[C@@H](C(=O)CCCC1CCC1)c1ccccc1	688799817	OQWJRMQHMLIIKY-MRXNPFEDSA-N	244.378	4.720	0	10	BJAE	
C[C@H](Nc1cccc(C2CC2)c1)C1CCCC1	690160152	QOAPWILSXRADJB-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CCc1c(C)nc2ccc(C3CC3)cc2c1Cl	690294823	LHAKKDOIKSVSEI-UHFFFAOYSA-N	245.753	4.636	0	10	BJAE	
CC(C)(C)CC(=O)c1ccc2sccc2c1	691784726	GWTKLJBTBBNOAY-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CCCc1ccc([C@H](C)NCC[C@@H](C)CC)cc1	696175488	PYBPCYJLHIBYSJ-GJZGRUSLSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCCC12CCCC2	704446230	ICZCAGSLMARKJA-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@H](N[C@H](C1CCC1)C1CC1)C1CCCCCC1	705355297	MJDPKKNXDUEMKY-SUMWQHHRSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H](CCCC2CCC2)c2ccccc2N1	711195556	QWIYOKLNBJHJTQ-UKRRQHHQSA-N	243.394	4.945	0	10	BJAE	
Cc1cc(C(=O)C[C@H](C)C(C)(C)C)sc1C	711202902	VQSSSGFRMBIGHB-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
CC/C=C/[C@@H](C)Cc1ccc(SCC)cc1	714533529	RADMYWVYHNARKS-KTRBRXNASA-N	234.408	4.943	0	10	BJAE	
CC(C)=C(C)CCNCC[C@H](C)c1ccccc1	718560504	BBHQGIIDLCLOBY-INIZCTEOSA-N	245.410	4.516	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1sccc1Cl	718699160	JBJWTTJFEUBJIJ-NSHDSACASA-N	244.787	4.571	0	10	BJAE	
C[C@H](CN[C@H]1CCCCCC1(C)C)C(C)(C)C	719226130	XOALRUKKXXNRAA-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CSc1cc(F)ccc1F	1165320614	GKMYYNUOJCDOLZ-JTQLQIEISA-N	244.350	4.739	0	10	BJAE	
C1=CC[C@@H](NC2CCC3(CCCCC3)CC2)CC1	1308277511	IBXPHQSDIGBCOZ-OAHLLOKOSA-N	247.426	4.578	0	10	BJAE	
C[C@H](CN1Cc2ccccc2[C@H]1C)CC(C)(C)C	1473669588	QTXZMBLXCAZOJY-UONOGXRCSA-N	245.410	4.636	0	10	BJAE	
CCCC[C@H](CC)N[C@H](CCC)C(C)(C)C	1560838453	AQDFPKXJZXTFSW-UONOGXRCSA-N	227.436	4.760	0	10	BJAE	
C[C@H]1CC[C@H](Sc2ccc3ccccc3n2)C1	1613254717	HUDXHNQIKWDPOH-AAEUAGOBSA-N	243.375	4.516	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC1CC2(CCCC2)C1	1621300454	DIXHHRZGLFFMCP-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CCCC1CCC(CN[C@@]23CCCC[C@@H]2C3)CC1	1658429969	ANMRLVKEHXBVGP-BHUNQDJPSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CCN(C)[C@H](C)CC(C)(C)C	1900710668	YLHXDDJJPKILAL-CYBMUJFWSA-N	227.436	4.569	0	10	BJAE	
CCC[C@H](CCC(CC)CC)CNC(C)C	1900711068	BXGSBOVLEAJJTF-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC=C(C)CC	1900878154	MNRWYVYKWMJMTP-CABCVRRESA-N	226.404	4.700	0	10	BJAE	
CCc1ncsc1-c1cc2ccccc2s1	1901573050	IPAZJXAHBURBPF-UHFFFAOYSA-N	245.372	4.587	0	10	BJAE	
FC(F)CCc1ccc(-c2ccccc2)s1	1901919391	NUQUPYNVJOHZKM-UHFFFAOYSA-N	238.302	4.613	0	10	BJAE	
CCCCC[C@@](C)(O)SCC(C)(C)C(C)C	1904775543	VWEJLCAEBPLRPN-AWEZNQCLSA-N	246.460	4.691	0	10	BJAE	
CCC(CC)(CC)C(=O)CC[C@@H]1C[C@H]1C1CC1	1908453069	NBMQRKUNBCYQJN-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@](C)(N)CC1CCCCC1	1910822256	QAUSQSSLLYUTNE-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCC=CCCNC(C)(C)C	1911792141	KKFRAZKVJOOWGP-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
O[C@H]1CCCCCCCC[C@@H]1CC1=CCCC1	1913430750	OJJOEQNNKCDYLC-CVEARBPZSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1N[C@H]1CCC2(CCCC2)C1	1916406345	NZVTZGYXQIVGRQ-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@]1(CC2(C)CCCCC2)C=CCCC1	1916566443	VEFQLBJOEVYQQJ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC[C@@H](C)[C@](C)(O)c1ccc(CC(C)C)cc1	1919644734	QKNDRBQBDLDMRJ-PBHICJAKSA-N	248.410	4.529	0	10	BJAE	
CCCCCC[C@@](C)(N)CC(C)(C)C(C)C	1920187078	DMGNJIUUHRUZFN-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C1CC(CC)C1	1921268013	DNXAGWQNHYCOLB-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC(C)NC[C@]1(C2CCCC2)CCCC12CCC2	1921591910	JOIFGEHTFJFWPV-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@@H](C)C1CCCC1	1924125467	NLUVMYAUCGSTJD-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC[C@@H]1CC1(C)C)C[C@@H]1C=CCCCC1	1925802810	OCBSILQIDGOZEC-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](NC[C@H]1C=CCCCC1)c1ccsc1	1925818981	GAFRDUWMAYHVNI-ZFWWWQNUSA-N	249.423	4.535	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CC(CC)CC	1926168164	AEPDDEMNADQVHY-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC1(C)CCC(=CCCCCC2CC2)[C@@H](CN)C1	1927175992	HIDGPEPCRXMNPM-MRXNPFEDSA-N	249.442	4.668	0	10	BJAE	
CCCC[C@H](CC1(C)CCCCC1)NCC	1935619352	ALWWTSBBWURZSR-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@H](C[C@H](O)c1cscc1C)C(C)(C)C	1938843531	QEPIGMVIHKMZMX-YPMHNXCESA-N	240.412	4.552	0	10	BJAE	
CCCC[C@@H](CC[C@@H](C)CC(C)C)NCC	1939123542	XMCQTDDLABUUDR-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@H](CC2(C)CCCCC2)C1	1940415635	OAHJVJXSBXLDPD-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CC1(C)C)CC(C)(C)CC	1940864350	POGAZOFUSOZKJK-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(CCC[C@H](N)CC2CCCCCC2)CC1	1940877544	RIGRNUUDFRKWPW-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(CCC2CCC2)CC1	1941471056	YUFHWUWHODUYQO-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(NC[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)cs1	1942045985	KIXJZAJYPMNOTH-SGMGOOAPSA-N	249.423	4.541	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)[C@@H](C)CCC(C)C	1942662989	YQCSMWANAUABMI-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(C[C@@H]2CCC[C@H]2C)CCCCCN1	1944847838	YZFOQUZRTYQNMD-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)C1=CCCCCCC1	1947516779	WFWWFWLGBTWIMD-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@H]1C=CCCC1	1947592576	KYZONSOWLAJNGQ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
Clc1ccc(N[C@@H]2CCCCC23CCC3)cc1	1947878371	HMRDPHIFPZNYFI-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
C[C@H](NC1CCCCCCCCC1)C(C)(C)C	1947879001	AKDIIXBYBUJMDZ-AWEZNQCLSA-N	239.447	4.904	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CCCCC12CCC2	1947879238	BIFQOIWNFNIDCD-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@H]2CCC(C)(C)C2)CC1	1949453076	NOBWKJSHOHBJQP-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)[C@@H]1CCC2(CCCC2)C1	1949495386	HCQHDKGHMFTSJT-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C(=O)[C@@H]1CCC(C)(C)C1)C1CCCCC1	1949499533	UWQOUIDIQNJIMI-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)NC[C@H]1C(C)=CCC[C@@H]1C	1950981826	YYIPUIOGISVOEA-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC=C[C@H](C)Cc1ccc(OC)c(C(C)C)c1	1951308229	BYVQMRJENUFKJS-AWEZNQCLSA-N	246.394	4.963	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(OC)cc1CC	1951308846	PECQZGHNDDBLLC-CYBMUJFWSA-N	232.367	4.717	0	10	BJAE	
Cc1cc(C(=O)CCCC(C)C)sc1Cl	1960265326	DKVFMXVSRBJFJD-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
CCC1CCC(NC[C@@H]2C(C)=CCC[C@@H]2C)CC1	1963220391	NCXSBJFWWWGCPR-ZGRYLRDCSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CCC3(CCC3)CC2)C1	1965979355	ZYJQJZNLPMWRRZ-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H](C)CC(C)C)CC1	1967707634	GQVOHEJZPHDTJL-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(OCC2[C@@H]3CCC[C@@H]23)cc1	1968368826	ORTZNUIPHXZZTF-APHBMKBZSA-N	244.378	4.625	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)c1csc(C)c1	1970829824	RMHLTUKZCYYCOH-OCCSQVGLSA-N	239.428	4.676	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)C(CC)(CC)CC	1978562926	JWONZYPFKIRBSJ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](C)(CNCCC)C(CC)CC	1978647142	HAYSQCHSHZRUPV-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCCC(C)(C)C1	1984591535	PZIQDNODQYHILP-MUBLQREKSA-N	222.372	4.518	0	10	BJAE	
C/C=C/CCCCC[C@H](NCCC)C(C)C	1984633495	XJEKVASAMKPBEL-ZKKXHLJNSA-N	225.420	4.537	0	10	BJAE	
FC(F)c1cscc1CC1CC(=C2CC2)C1	1985535266	SEXCEDYZVLNRTF-UHFFFAOYSA-N	240.318	4.729	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@@H](C)CC(C)C	1995254393	RHLJWXTXOZCGML-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
CC[C@H]1CCCCN(C[C@H](C)CC(C)(C)C)C1	1995745164	VNEYCOYCYILIAQ-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CC1([C@](C)(N)CCC2CCCC2)CCCCC1	1995987221	SCBOJBPRJFZAEG-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@H](C)C1(C)CCCCC1	1995990059	DOOMKSNTLBUAIT-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](CCC[C@H]1CC1(C)C)NC	1996611578	SLJRKGZTNFAXPB-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(F)(F)C(C)(C)CC(=O)CCC1CCC1	1998039225	XQHSPLHHAZWFBR-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CC(C)=C[C@H](C)C1	2000355416	JVMYRAWOIATYJM-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)C1(CNC2CCC2)CCCCC1	2000663178	YYSFRXGTSJSIGL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1CC12CCCC2	2001258818	JBKITGQGMDRMRT-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
C1=C(CNC2CCCCCCCC2)CCCC1	2003102771	ZAOGXMZJJNZAAC-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
C[C@H](CC(F)F)CC1(O)CCCCCCCC1	2003108283	KZMFDZJTJZQVAE-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CCN[C@H]1CCCCCCC[C@H]1CC(C)(C)C	2003110045	AKUBQIZXJKUSTP-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CNC(CC1(C)CCCC1)CC1(C)CCCC1	2003180158	XQSZJNQKMHWWJA-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H]1CCCC[C@H]1CC	2004235525	ZQWWNVVOFWJNRI-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1NCC[C@]1(CC)CC1CCCCC1	2009061248	DXBBGNFXEREUJW-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)CCC2(C)CC2)CC1	2009546113	DHSXLWVDLLOZFC-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCCC1(N)CCC(CCCC)CC1	2009616031	FHRBVMDUYPEYLC-HWKANZROSA-N	237.431	4.811	0	10	BJAE	
CC=CCCC[C@H]1CCCCC[C@H]1CNCC	2009616089	FZHGUHXOYBXHRD-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCCC1(CNC(C)C)CCCCC1	2009628501	OIKQDBWNBJOYKM-SNAWJCMRSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H]1CCCC[C@H]1CC	2009635826	QYLNSKGOYAKIBC-CLTGJZPWSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010711691	CIZUHXPHSIEWPJ-HUUCEWRRSA-N	237.431	4.523	0	10	BJAE	
Cc1cccc(Cl)c1NCC[C@]12CCC[C@@H]1C2	2010994280	FAZZDNUOOLGLEY-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@]12CCC[C@@H]1C2	2011022605	XNVNDELBGUIMAK-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](CNC)(CC1(C)CCCCC1)C(C)C	2012408810	RAXDHEVNEIJWPM-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc(N[C@H](C)C2(C)CCCC2)c1C	2014339881	WKZBOEZFSNRONI-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
CCC1(C)CC(O)(CCC(C(C)C)C(C)C)C1	2015335650	MNIJFSABGXQFED-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CC[C@@](N)(CCC(C(C)C)C(C)C)C(C)(C)C	2015358658	ARAWICLZNDVIBK-MRXNPFEDSA-N	241.463	4.848	0	10	BJAE	
CCC[C@@H](C)CN(C)CCC(C(C)C)C(C)C	2015393930	JEEDRAUXVUIDHK-OAHLLOKOSA-N	241.463	4.673	0	10	BJAE	
CCCC1(CC2(N)CC(C(C)(C)C)C2)CCC1	2015646400	ZNDMCROJNIWNBC-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(N)CCC=C(C)C)CC1	2016117519	PDXGZZXXKFZCSZ-ZBFHGGJFSA-N	235.415	4.587	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCC[C@@H]1C(C)C	2016146616	YGRSYFIGOCRGSA-XHSDSOJGSA-N	237.431	4.536	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@H](C)C[C@H]1C	2016149865	NSNUKIQHDKBKRE-XUWVNRHRSA-N	237.431	4.536	0	10	BJAE	
CC1([C@@H](O)CC2(C(C)(C)C)CCC2)CCCC1	2017114974	SAJLPNJNDPFZPZ-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@H](C)CC(C)(C)C)CCC1	2017142985	ZLISXIQVXQPPRN-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(F)C[C@]1(CN)CCCC(C)(C)CC1	2017468692	MAYPUBPCCMFIDT-HNNXBMFYSA-N	241.394	4.575	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H](C)C1CCCC1	2017476209	VLMHVFACUDUGAO-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CC[C@H](CC)CC1	2017663426	SQIGQGSDQOACME-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(C[C@@]2(C)CC[C@@H](O)C2)CC1	2017714456	GPPRABLBLZOUBR-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@@H](CCC(C)C)NC)CC1	2017731783	VOCKYJBHNPEWFQ-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NC[C@@]23CCCC[C@H]2C3)c(Cl)c1	2018587396	LRKHZKSMGZDLRP-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCC1(C[C@@](C)(N)[C@@H]2CCCC(C)(C)C2)CC1	2018915144	CWJTYKUHOPZGCI-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@H](C)C1CCC1	2019360113	PPJSISFWGAOWAK-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](C)CN(CC(C)C)C1CCCCC1	2020537711	RBKJECLZXXRWQX-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCC/C=C/CNc1ccccc1C1CCC1	2021026181	MSKHUUFVFVZCHZ-QPJJXVBHSA-N	229.367	4.722	0	10	BJAE	
CCCCCC(=O)c1ccc(CCCCC)o1	2021521120	WHWXTZRLMSFOSV-UHFFFAOYSA-N	236.355	4.775	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H]1C[C@H]1C(C)(C)C	2022488699	DOWHKBSFFBPFPL-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCCC[C@]1(O)C[C@@H]1CCCC(C)(C)C1	2024128814	PUXBRHBUPCPFEB-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(=O)c1ccccc1C1CC1)C(C)C	2028564805	GMNOQDYGYFVXHV-AWEZNQCLSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@H](C=Cc1ccccc1)C[C@@H](C)CC	2028574639	ZGRMVFZHPNWHBT-DOTOQJQBSA-N	245.410	4.504	0	10	BJAE	
Fc1ccc2c(ccn2CCCCCC2CC2)c1	2028633228	GXYCSLVUIPJYKL-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CC[C@H]2CCCC[C@H]2N1	2028633607	KHBORQKNYDZDJY-BRWVUGGUSA-N	249.442	4.658	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C[C@H]1CCCCCC1=O	2029173780	IVUDOSCHCBCQJA-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCC1CCC1)[C@]12CCCC[C@H]1CCC2	2031758047	JEKXOVAWSRTDRD-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)CC2=CCCCC2)C1	2031829122	UKFXBIKVCFECOM-FOLVSLTJSA-N	248.410	4.908	0	10	BJAE	
O=C(CCCC1CCC(F)CC1)c1ccccc1	2032178686	OAXWTTWZSNEXDZ-UHFFFAOYSA-N	248.341	4.568	0	10	BJAE	
CCc1occ(C)c1[C@@H](N)CC1(C)CCCCC1	2035525986	OOVZUWSPPNJECV-ZDUSSCGKSA-N	249.398	4.511	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)C1CCC(C)CC1	2035590493	JKRWYILOQQFDDI-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCC1)[C@@H]1CCCCC1(C)C	2035603252	YWNHCRFVYMDHFX-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@](N)(C1=CCCCCC1)C2	2037101110	SBUACSHUVLPSHS-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1c2ccccc2NC[C@@H]1C	2037221410	SVYNUTYRJBKGQY-GRDNDAEWSA-N	245.410	4.904	0	10	BJAE	
CCC[C@H]1CCCCN1[C@@H]1CCC2(CCCC2)C1	2037674655	GUHSVHRRXULAQJ-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
C[C@@H](C=C1CCC[C@H](CCN)C1)C1CCCCC1	2038863195	VBHQCUCXUJRCMO-LSDHHAIUSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@H]2CC23CCCCC3)C1	2039013089	UYPDSSAZZLSZOR-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@H](NCC1(C)CCCCC1)C12CCC(CC1)C2	2039866369	XXAYGJPOPJQWLV-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CCC=Cc1ccccc1	2040726628	VUOSGJUBLJNUPU-INIZCTEOSA-N	246.394	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2C=CCCCCC2)CC1	2041500733	WGMHCZVFRIVRFO-IKGGRYGDSA-N	249.442	4.824	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)c1ccccc1C1CC1	2042290340	LTEXBBVGHNJKOL-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CC[C@@H]3CCCC[C@@H]32)C1	2045386021	UTFNMCCSNQNIRK-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)c1ccccc1)[C@H]1CCCC(C)(C)C1	2045454411	ISOYGOPYFDFWNI-ZFWWWQNUSA-N	244.378	4.722	0	10	BJAE	
C1CCCC2(CC1)CC(NCCCCC1CC1)C2	2046233544	PGOHDXOTEVROJK-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@@H]2CCC23CCC3)CC1	2047936927	UICBOONKCLEDEO-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)[C@H]1[C@H]2CCCC[C@H]21	2049212405	RXHSLOIHGTXBAG-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)CC2CCC3(CC2)CC3)CCCCC1	2049851203	ALBYVWVBGJORGX-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CC1=CCCCCC1)c1ccccc1C	2050457001	XTDFDGUPHOPFIA-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CC1(CN2CCCC[C@@H]2C2CCC2)CCCCC1	2051677286	YDDDWPCSURVKMZ-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CCC[C@H]1N1CCCC2(CCCCC2)CC1	2055267604	ADKZQZHDSPAYPL-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCCCC[C@H]2C(C)C)CCC1	2055553780	CAMYQBVZCXRHIO-IKGGRYGDSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)[C@](O)(C[C@@H]2CCC=CCCC2)CCC1	2055606763	FTHZEFNWLCGYQU-IAGOWNOFSA-N	248.410	4.764	0	10	BJAE	
CCCC[C@@H](N[C@H]1C=C(C)CC1)c1ccccc1	2055843256	YJHWTUXBQVOPGY-IAGOWNOFSA-N	243.394	4.616	0	10	BJAE	
CC1=C[C@@H](N[C@@H]2CCCCC23CCCCC3)CC1	2055851830	TUBSTHAJPYHJFK-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CN[C@@H](C=C1CCCC1)C1(C)CCC(C)(C)CC1	2056875939	LSIPUIXUTMZRSU-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H]1CCC(C)(C)CC[C@@H]1C[C@H]1C=CCCC1	2059004104	UJRLCNVJTBWBMY-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@@]1(C)C=CCCC1	2059181531	UIHNGGOQBXOQEG-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CC(C)=C[C@H](C)C1	2059247587	SHZUMZDYCMOHQQ-UAGQMJEPSA-N	249.442	4.703	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CC[C@@]23CCC[C@H]2C3)C1	2061600816	CNBDJHCOAOWOTI-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@]12CCC[C@@H]1C2)C1CCCCC1	2061624518	YTVLYMHBSCMHGR-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC/C=C\CN[C@H]1CCCC[C@H]1C1CCCCC1	2061651633	ZUIMIKJVLLQDTA-UQHQCPOMSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063490472	LIWRUMOGFVVQTL-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](N)C23CCCC2CCC3)CCCCC1	2063821690	KABSYACJHSDCAX-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@]1(C)NCC12CCC(CC1)CC2	2065302869	MAWWTEGOAWOHTD-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)C[C@@H]1C=CCCCC1	2065942226	HZEIEDKTJZSCDS-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
CN[C@H]1C[C@@H](C2(C)CCCC2)C12CCCCCC2	2067498496	MMBWPZDLYMWLJW-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)[C@@H]2CCC3(CCCC3)C2)CCCC1	2067529759	KORRIBRHLSCMKD-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068710816	NPZFCNZKGLUMJO-YOWGUQMCSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](NC)c2c(C)coc2C)CCC1	2069345795	YPLMUXSHWKFZHW-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
CCCc1cccc([C@](C)(N)CCC=C(C)C)c1	2070294025	JJLPIHSCADKYNT-QGZVFWFLSA-N	245.410	4.559	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(N)CCCCC23CCC3)CC1	2072795445	DOAXSVSLVKOBOV-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(C[C@]2(N)C=CC[C@H](CC)C2)CC1	2072815850	PUYPCPPPDJWANQ-XGHPGWEVSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H]1C[C@H]2C=C[C@H]1CC2	2073346430	MRRAKHIQGIOXGV-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CC[C@@]1(C)CCCN([C@H](C)c2ccccc2)CC1	2074784082	DRNCRRWDYSNZKJ-WBVHZDCISA-N	245.410	4.650	0	10	BJAE	
CC(C)NC[C@]1([C@H]2C=CCCCC2)CCC[C@@H]1C	2075363780	SUHPHVYTFBBLDO-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
C[C@](O)(CCC1=CCCCC1)[C@@]12CCCC[C@H]1C2	2075711316	XONGDHHKGMVWAM-YESZJQIVSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc([C@@H]2CCCC(C)(C)C2=O)cc1	2076436781	IZUAZAOEOZLCEH-HNNXBMFYSA-N	244.378	4.673	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2CC[C@H]3CC[C@H]2C3)c1	2077262768	FHDIMOKALCILDN-INWMFGNUSA-N	241.378	4.555	0	10	BJAE	
CCCCc1ccc(-c2cc(C)ccc2O)cc1	2077926670	CRTDUDKAASYFBB-UHFFFAOYSA-N	240.346	4.710	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@@H]1C[C@H]1C1CCCC1	2079833291	SJTFPZCBFDPPFX-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)CCCC2(C)CC2)c1	2082919549	QUQCYLPFOTUJNG-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)C[C@H](C)CC(C)C)c1	2082930758	UYGHTVMFCUNEKQ-SJKOYZFVSA-N	247.426	4.684	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@]2(C)CC=CCC2)C1	2082980583	WNHSYTDYCQJQAD-YOEHRIQHSA-N	248.410	4.908	0	10	BJAE	
CC1(C)C[C@@](N)(C[C@@H]2CCCC3(CC3)C2)C1(C)C	2084339904	DEHOAOAMZMBONY-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1ccc(C)cc1C	2086043307	DPGQMLILCRDKDS-GUYCJALGSA-N	248.410	4.943	0	10	BJAE	
CCCC[C@](C)(O)CCCCCCC1CC1	2210527784	WDQKPDDBANKJDF-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
C[C@H](C[C@@H](O)CCCCCCC1CC1)C1CC1	2213574140	PTYJFJCLJXSRTM-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@](C)(N)C1(C)CCCCC1	2215253017	OAQFTNCKDUXOCW-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)c1cc2ccccc2s1	2215346820	SQVDANBKIWZQOB-MNOVXSKESA-N	244.359	4.520	0	10	BJAE	
CC1(C)CC(C)(CC[C@H](N)C2CCCCC2)C1	2215432417	MCSQNQCJIZVKPJ-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CCCC(C)(C)C)CC1	2215801866	KPZHFQOLEXZYBK-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
C[C@H](CCCCN)CCCCCCCC1CC1	2216893454	LLMUIHPVIGPHCE-HNNXBMFYSA-N	239.447	4.892	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2218017966	OQHXEUWQJKZLGE-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218348892	DCLIHYGXTMFJJA-ADCCNSJYSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CCNC2CCC(C3CC3)CC2)CC1	2218896886	NQLRUKCTATXTPP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@@H](C/C=C/c1ccccc1)NC	2219081671	OJODQUBHFMOZKG-XLNAKTSKSA-N	245.410	4.504	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1ccccc1C1CCC1	2220922433	BABVWESBBZOGAS-DZGCQCFKSA-N	243.394	4.802	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC23CCC(CC2)C3)CC1	2221646334	SKBRNOJKGHAKEC-WIHSUSGWSA-N	246.394	4.662	0	10	BJAE	
N[C@H](CCC[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC1	2222932897	IOIZPKBALFWCMA-MUIFIZLQSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCCN1CC[C@@H]2CCC[C@@H]21	2223113886	QKHZLOWMVXSUCD-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cc2ccccc2s1	2246911237	ZFLLZIWOYJFPKP-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
Cc1cc([C@@H](O)[C@@H](C)C(C)C)cc2ccsc12	2248580998	FVTKMVFTAWPGHD-FZMZJTMJSA-N	248.391	4.535	0	10	BJAE	
CCC(C)(CC)C(=O)CCCCC[C@H]1C[C@H]1C	2248815372	OYDBYIBZAFYAPL-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc(C(C)(C)C)c1	2249257699	HRWLIXDIMQAGNA-CYBMUJFWSA-N	233.399	4.975	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2250364901	GJBASZBUNSROIA-OTJKEOIZSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H]1CCCCC12CCC2	2250383140	WODFSLQGOTVYNA-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@]1(CN)CC[C@H]1CCCCC12CC2	2253853418	LKMZUNXLHFZQPL-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)C=CCC(C)(C)C2)C1	2253926452	AEUCRLXOKKJGGP-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@](N)(CC2CC3(CCCC3)C2)CC[C@H]1C	2254116737	VWYLWFBDCIOYBQ-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C1CC2(C1)CC2(C)C	2254597742	XVTJLOBZJAFSBX-WIJYIZELSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C1(C(C)C)CCC1	2255092919	XBBFLUXXRITBOJ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CCCC12CC2)C1CCC1	2255278066	KLAGRKMSYMCFOV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1NC1CC(CC)(CC)C1	2256144335	MFKBWSXFUBYFNF-UHFFFAOYSA-N	249.373	4.769	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@@H]1CC12CCC2)C1CCCCC1	2256418863	BCNDSLISGZPYFM-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNc1ccc(CF)cc1	2257361882	OQBTXNCCEAOKGG-DZGCQCFKSA-N	249.373	4.784	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CC1CC2(CC(C)C2)C1	2259573831	KZSZDDHUGYBFFH-UNKKKNMRSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@]12CCC[C@@H]1CC2	2260572398	AWYONGGIOGTRLS-PBHICJAKSA-N	242.362	4.538	0	10	BJAE	
CCCCC1CC(N(C)CCC(CC)CC)C1	2300676382	NXJLGZKMXIBRPY-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCNC[C@]1(CCC(CC)CC)CCC1(C)C	2300687623	DVZBFZJZDIRLPN-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(=CC[C@@H](O)C1CCCC1)CCCC(C)C	2300870638	WQHAJHBXBSFXKK-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CCSc1ccc(C(=O)CC=C(C)CC)cc1	2300899196	MABLPSYYUXFCKR-UHFFFAOYSA-N	248.391	4.728	0	10	BJAE	
CC(=CC=C(C)[C@@H](N)C(C)C)CCCC(C)C	2300901976	PHAYBVDKZDLHFG-INIZCTEOSA-N	237.431	4.689	0	10	BJAE	
CC(=CC=C(C)[C@H](N)C(C)C)CCCC(C)C	2300901977	PHAYBVDKZDLHFG-MRXNPFEDSA-N	237.431	4.689	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C(C)(C)CCC	2300927236	SXJFNIOZOIENLA-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1C(=O)CC1CCCCCC1	2301239629	RMURIFYDDHPXRS-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@H](C)C(C)C	2301913288	QFQZXKUTQJOURC-LBPRGKRZSA-N	237.362	4.653	0	10	BJAE	
CCC(CC)[C@@H](C)NCCCC1=CCCCC1	2302344531	HFKJYSAIJUQUMF-CQSZACIVSA-N	237.431	4.681	0	10	BJAE	
CCNC[C@@H](C)[C@H](C)CCCC1=CCCCC1	2302358230	DKLULRLNPARANL-HUUCEWRRSA-N	237.431	4.539	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1CC[C@@H]1C(C)(C)C	2303486500	DUUJOFYBMZRYNU-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C2(C)CCCC2)C1	2304434522	DTKPQVWTPDBGOK-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@H]([C@@H](N)CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304438927	ZMKUTPLACUXJEJ-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CCCN(C[C@H](CC)CCC)CC1	2307760134	DYCLOCHMUYLDNC-CVEARBPZSA-N	239.447	4.715	0	10	BJAE	
CCC[C@@H](CC)C[C@](N)(CCC(C)C)C1CC1	2307825616	CSSXWETYVLRKCO-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CN(C)CC1CC(C)(CC)C1	2307900091	TZAPYNQKDSFBGJ-FHERZECASA-N	239.447	4.571	0	10	BJAE	
CC1(C)CCCCC[C@H]1NCC[C@@]12CCC[C@@H]1C2	2310374354	URTVYGBKGYWUOD-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C(CCCN[C@H]1CCC[C@@H]2C[C@H]12)CCCC1CC1	2312601333	YNSCXCDOCWLENE-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CC1)C[C@@]12CCCC[C@@H]1CC2	2313323721	IWFXRGFPURJMAE-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC(=CC[C@@H](N)C1(C)CC=CC1)CCCC(C)C	2316501741	IBTKXPYOZRVVOO-MRXNPFEDSA-N	249.442	4.833	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1ccc(C)cc1F	2316504416	VZKSTJVTYRIQLC-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316878487	OFEANQOHNOFLIL-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H]1CC2)[C@@H]1C=CCCC1	2316879847	HDBMIQCLUWWWTH-JONQDZQNSA-N	246.394	4.518	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)c1ccc2occc2c1	2317836850	IOCOHSBYKKQPAW-NWDGAFQWSA-N	244.334	4.544	0	10	BJAE	
CN[C@@H]1[C@@H](CCCC2=CCCCC2)CCC1(C)C	2318540760	QTUNFGZVHBQAIA-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1([C@@H](N)CCCC2=CCCCC2)CCCCC1	2318570075	VHFJTZLTBAHPCU-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](N)CCCC1=CCCCC1	2318595454	PRRQRPKFCWDTIF-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CCCN(CCCC1=CCCCC1)C1CCCC1	2318595906	UEBWRFZQODJMHP-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
N[C@H](CCCCC1CC1)CC12CCC(CC1)CC2	2318878371	OQORGEUXZFKHNW-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@@H]1C[C@H]1C1CCCC1	2318878961	RAWORYJOLIMYQZ-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
Cc1cc2ccccc2n1C[C@H]1CCC(C)(C)C1	2319327205	UMAKYFZVKQOQIL-AWEZNQCLSA-N	241.378	4.776	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CC(C)(C)C2CC2)CC1	2320395153	UYEAMMYWFJSZND-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2C[C@H]2C)CCC(C)=C(C)C1	2320395572	WXVQSYNSSIBAMS-XBVQOTNRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC(C)(C)C1)c1ccoc1	2321640974	ZXCSJXAFNBWLQF-DZGCQCFKSA-N	249.398	4.537	0	10	BJAE	
CCc1ccccc1N[C@H](C)c1ccc(C)cc1	21061212	SFOKOOMJTXZEQL-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)CCC(C)C)cc1	21797439	WERFHFVYWVARPU-CZUORRHYSA-N	233.399	4.636	0	10	BJAE	
CC(C)CCN[C@H](C)c1ccc(CC(C)C)cc1	22154084	QOKVORAWLUVWFU-OAHLLOKOSA-N	247.426	4.582	0	10	BJAE	
CCCC[C@H](NC)c1ccc([C@@H](C)CC)cc1	35469004	BNBIPRJIDPWRLY-BBRMVZONSA-N	233.399	4.651	0	10	BJAE	
CCCCc1ccc([C@@H](CC(C)C)NCC)cc1	35548129	CGCPFSOCCILQER-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
Cc1cc(C)cc(-c2ccc(C(C)C)c(N)c2)c1	41282563	IXRXCEAZGBVFRQ-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
Cc1cccc([C@@H](C)Nc2cccc(F)c2C)c1	43320183	YFKAGGCXZKVDSC-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](CC)c1cccs1	68987161	HXCQOCWFQMQING-OLZOCXBDSA-N	239.428	4.758	0	10	BJAE	
CC[C@@H](N[C@@H]1CC[C@H](C)C[C@@H]1C)c1ccccc1	78462533	KYKCOLWWHLYKFR-XJNFMUPTSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC)[C@@H](C)NCC	84676017	UGJVSOGHCCUUFH-RBSFLKMASA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](Nc1ccsc1)c1ccc(C)cc1	85528267	PMVYZZAVVJQGRV-CQSZACIVSA-N	231.364	4.620	0	10	BJAE	
CCN[C@@H](CCC(C)C)c1cc(C)c(C)cc1C	86495038	ULCHTKVTDOCIKZ-KRWDZBQOSA-N	247.426	4.699	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](Nc2cccc(F)c2)CC1	86922549	OQJOFKGDUMXZFQ-DZGCQCFKSA-N	249.373	4.843	0	10	BJAE	
CC(C)=CCC[C@@H](C)[C@@]12CC=C(C)[C@@H]1C2	87528634	UCQHFDKBUHCAFR-ILXRZTDVSA-N	204.357	4.725	0	10	BJAE	in-vitro
Cc1ccc(C)c([C@H](O)C2CCC(C)(C)CC2)c1	87941486	XPFVWPGDTHQGON-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCCC(C)(C)CC1	88294264	SZCJTLZLECRMLA-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@H](C)CC(C)(C)C)c(C)c1	109784815	BRUYDAQPHDMHFH-BBRMVZONSA-N	248.410	4.799	0	10	BJAE	
CCC(CC)C(=O)c1cccc(CC(C)C)c1	127625131	DVCNYOHZPDTLGQ-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCC[C@H](CC)C1	127910683	STLUXSYDEYMZHQ-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@@H](O)c1cccc(C(F)F)c1	132026144	DORCETDXEVDWEY-CYBMUJFWSA-N	242.309	4.628	0	10	BJAE	
CCCCCC[C@@H](CC(CC)CC)NCC	133369080	RZDCBNBUCKAPRH-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCCCC[C@@H](C)Nc1c(F)cccc1Cl	135245860	DHMWSSYWKRAHRG-SNVBAGLBSA-N	243.753	4.860	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC(C)(C)C[C@H]2C)c(C)c1	155797757	MBMULGCWHKZBKB-GDBMZVCRSA-N	245.410	4.930	0	10	BJAE	
CCCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNCCC	156060891	CLXOUHYFAUXSLG-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
O[C@H](CCC1CCCCC1)C1CCCCCC1	157253129	ADSURMIJIWSNHI-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CCC1CCCCC1)NCCC	158299170	COMJUSUCGZUAKA-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C2CCCCCCC2)C1	158965022	ANYVACXMCDTGLT-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@]1(N)CCC[C@H](C(C)C)CC1	165690411	HRWXUVKJHUIAKK-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)CCCC(C)C	166187204	IABHEEQWFPMTOC-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H](C)CCC	168020293	KQMHEBJTKWGVQB-OLZOCXBDSA-N	212.377	4.598	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](CC2CCCCC2)C1	203295361	KEBLRMJIJYBTOC-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)C(=O)c1ccc2c(c1)CCC2	211870874	KUOLIGSWXCQMHY-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CC[C@H](C)[C@@H](C)C2)c1	220569934	HSNHYQJBHYTXRO-KKUMJFAQSA-N	231.383	4.540	0	10	BJAE	
CCC/C=C/CNc1cccc2ccccc12	222495822	WKQOLZNDWHRXOQ-QPJJXVBHSA-N	225.335	4.608	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@@H]1C(C)(C)CCC	222607357	LYHMOKZOPARMJG-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)c1csc2ccccc12	226527545	RLHCSUHAFVBKNC-QWRGUYRKSA-N	244.359	4.520	0	10	BJAE	
CCC(CC)C[C@H](CC1CCCCCC1)NC	229156418	RKSJBKVVODWFOG-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)NCC1(CC)CCCC1	232936081	BSZMAAUHCZJYTL-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc2ncsc2c1	232975630	JRQIITFXEICMRN-NSHDSACASA-N	248.395	4.677	0	10	BJAE	
Clc1cc(Cl)c2ccsc2c1Cl	238540683	GEAWEDNVSQHLDX-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
CCC(F)(F)c1cc(C(C)C)ccc1C	259025251	QKAFXJUQDVQBNG-UHFFFAOYSA-N	212.283	4.620	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H]1CC[C@H](CC)C1	300143463	WNJRMVDXDOBXRT-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CCCC(C)(C)C)CC1	300955568	XVXRACFPCCCIIY-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCc1ccccc1NC[C@H](C)CC(C)C	302459880	YIUDJOWXGQSBCC-CQSZACIVSA-N	233.399	4.733	0	10	BJAE	
CSc1ccc(NC[C@@H](C)C(C)(C)C)cc1	304275064	LFFIKKDAHGNELZ-LLVKDONJSA-N	237.412	4.503	0	10	BJAE	
Cc1ccccc1[C@](C)(O)CCC1CCCCC1	305898178	UADCZCVKQLZBSF-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)CCC(C)(C)C)C1	305990053	FAJILRDLUBCNCA-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
Cc1cccc2sc(Cl)c(C(F)F)c12	307198248	UWUPMYWQHAAKLH-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCc1sc2cc(Cl)ccc2c1Cl	307307108	UTFCRXXUVWFTDE-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)c1cccc(CC)c1	308023469	VONSZDUSAKAIHR-NVXWUHKLSA-N	248.410	4.745	0	10	BJAE	
Cc1c(N)cccc1S[C@@H]1C=CCCCCC1	310060684	OCEDYSJFEUOPHC-CYBMUJFWSA-N	247.407	4.558	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1CCC(C)CC1	310313210	FEMLLOPSEVJIHI-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCCC[C@@H](O)C2)CC1	310421926	OFJNGXVHDJPKGS-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](NCC1CCC(C)(C)CC1)c1ccco1	311040930	VEGIMGXQFPOYCR-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
C[C@@H](CC[C@@H](N)c1ccccc1)C1CCCCC1	311092496	RFRZSHUBODURET-WMLDXEAASA-N	245.410	4.683	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)c1cc(C)cc(C)c1	311108494	RGBUNOOHZYHDAJ-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCC[C@H](N[C@H](CC)CCC)C1CCCC1	313461786	HYIQDEAELRQVQE-CABCVRRESA-N	225.420	4.514	0	10	BJAE	
CCCNCC1([C@@H]2C=CCCC2)CCC(C)CC1	317553212	KWRDYYYDBUVFKO-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CCCC1([C@H](CC2CCCCC2)NCC)CC1	383376472	ZOBIEGWMYJYDDM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCC1(CC(C)C)CC1	391831678	PVBZSLKKJZNNJL-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](NC)c1ccc(C2=CCCCCC2)cc1	393971671	IGXLKPJBVAKUJB-QGZVFWFLSA-N	243.394	4.705	0	10	BJAE	
CC[C@H](C)CCNc1cc(Cl)ccc1Cl	394403006	NIKUHJUIMCOSOY-VIFPVBQESA-N	246.181	4.842	0	10	BJAE	
CCCN[C@H](C)/C(C)=C/[C@@H]1CCC[C@H](CC)C1	394532557	ZDMOKRNNBNFVFG-VQEMYYMFSA-N	237.431	4.537	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1C[C@H]2CC[C@H]1C2	395084273	QQNAUEHGRXXYOR-HRCADAONSA-N	246.394	4.662	0	10	BJAE	
CCOc1ccc(C(F)F)c2cc(C)sc12	396239018	JUNHGQBJYNWHEK-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CC[C@H](NC(C)(C)CC(C)(C)C)[C@H]1CC1(C)C	397671419	JERLNLQBCQWLDH-OLZOCXBDSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@@H]1CCC[C@H](C)C1	400880218	WOAMFOXFIFETCF-GXFFZTMASA-N	238.758	4.606	0	10	BJAE	
CCCCCC[C@H](CC1=CCCC1)NCCC	401102820	ZBJFYYIGXASBLB-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1cc(C)ccc1F	401831222	MKNBMXRFIZAGMG-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
C[C@@H]1CCc2c([nH]c3ccc(C(C)(C)C)cc23)C1	527397270	YDQXSMDLRHCADE-LLVKDONJSA-N	241.378	4.590	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](C)CC2CCCCC2)c1	689723486	ZVBXTONDDHNEJI-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CSc1ccccc1N[C@H]1CCCCC[C@@H]1C	691097848	BZNFPQIUNIRXHK-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCC[C@H]1CC)C1CCC1	691191660	XQIBKTHMNKMGKC-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CCCCCC(=O)c1cc2cscc2s1	694360696	LBLDJPTZFZIZHJ-UHFFFAOYSA-N	238.377	4.726	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC12CCCC2	694472113	GEQSFPJLZCMTSK-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H]1CCC[C@@H](C)CC1	695056758	XMWKJAHWDUOSHC-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@@H](CCC(C)(C)CC)NCC)CC1	696552013	VTSWBIHSWXTJIR-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCc1cccc(C(=O)[C@H]2C[C@H]2C(C)(C)C)c1	699766676	GKOHPSHPLDCUIE-LSDHHAIUSA-N	244.378	4.504	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H](CC)CC(F)F	701539673	WRBGMVLXVQZKAY-WCQYABFASA-N	249.389	4.602	0	10	BJAE	
CCC[C@]1([C@H]2CCCC[C@H]2C)CCCCCN1	704799887	ULYUDFSMAMPGNE-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC1(NCC2CCC(C(C)(C)C)CC2)CC=CC1	705345924	DMYBDKDSSIHLRT-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@]1(C)C[C@H]1C	707744272	UXDNSNRBONTZLU-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CCC[C@@H](O)C(C)(C)C)CC(C)(C)C	709097413	NKOMORHRFDDKBO-CHWSQXEVSA-N	228.420	4.636	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)Nc2csc(C)c2)c1	710710050	HFJDGGVBVGGKNO-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
Cc1cc(N[C@H](C)CCC(C)(C)C)c(C)cc1N	710743556	USSIELPUQNYPAR-CYBMUJFWSA-N	248.414	4.512	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C(C)(C)C(C)(C)C	711184156	OUNLDSHIMPQLDL-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](C[C@@H](C)C(C)(C)C)C1	711229391	UDIHMAMYBHHGMZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CC(C)(C)CC[C@H]1C	713008314	JZTPJSQTMHWOKC-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)NC[C@@]1(CC(C)(C)C)CCCC[C@H]1C	713310018	DRJRDOVFZUDCQV-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1CCC[C@H]2CCCC[C@H]21	714302523	FJDXBOVFSUPADP-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCc1ccc(Cl)c(Cl)c1	714521688	MRPVGIJPJNPBIM-NSCUHMNNSA-N	215.123	4.502	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC[C@@H]1C[C@H]1C1CC1	714863050	ALBCCLBFAVDUJR-YUELXQCFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](O)(CCC(C)=C(C)C)[C@H]1CC1(C)C	718703966	ZRZLFELBJMIWRC-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)C(=O)CC/C=C/c1ccccc1	721729776	CJTXCFLRLNVXMY-UKTHLTGXSA-N	244.378	4.875	0	10	BJAE	
Cc1sccc1-c1ccc(OC2CCC2)cc1	1240502671	ZYBDFUHXOZYKNL-UHFFFAOYSA-N	244.359	4.655	0	10	BJAE	
C(CCC1CCCC1)CN[C@H]1C[C@H]2CC[C@H](C2)C1	1474026152	RRVBZAJQDYVXPE-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CCC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1	1775954511	NXHMPVRUKKYVHR-UHFFFAOYSA-N	246.394	4.874	0	10	BJAE	
CC[C@H]1CCCC(=C2CCc3cc(N)ccc32)C1	1877032907	SPNUJQTXEBFHGZ-LBPRGKRZSA-N	241.378	4.569	0	10	BJAE	
CN[C@H](C)CCCC=C(C)CCCC(C)C	1900850668	GZJHJKDCBKRYLS-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCCCCc1cc(Cl)c(F)cc1OC	1901881737	UZVPIFWEHWYOTN-UHFFFAOYSA-N	244.737	4.611	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2csc(C)c2)CC1	1902849646	CKODAXFZKWJJOI-ZDUSSCGKSA-N	235.396	4.605	0	10	BJAE	
CCC(CC)c1cccc(CC(F)(F)F)c1	1905239852	DORJJQAZRFBQIC-UHFFFAOYSA-N	230.273	4.695	0	10	BJAE	
CCC[C@@H](CC)C[C@](N)(CCC)C(C)(C)C	1905360803	MISWJPXNLMTVOP-UKRRQHHQSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C)c1cccc(N)c1	1905364033	XUCYQLZURXQJML-OLZOCXBDSA-N	219.372	4.589	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1(C)CCCCC1	1905431958	OLLXAUQQXFRDOX-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CC(=CCCNC(C)C)c1ccc(C(C)C)cc1	1905732718	AQUKYRCKJZHNSD-UHFFFAOYSA-N	245.410	4.601	0	10	BJAE	
CCCNCC(CC)(CC)CCC[C@@H]1C[C@@H]1C	1908572451	VGDNIYSVWOVSMG-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC=C[C@H](C)Cc1ccc(CCC)s1	1911859410	ZLPWUQYKRWFFBR-LBPRGKRZSA-N	222.397	4.845	0	10	BJAE	
CCC=CCN[C@H](CCCCC)c1ccccc1	1911864490	JQTLKFNSTQSTGK-QGZVFWFLSA-N	245.410	4.864	0	10	BJAE	
CC[C@@H](C)C[C@](C)(O)c1ccc(CC(C)C)cc1	1919642991	AGHMIAROZNVRAI-PBHICJAKSA-N	248.410	4.529	0	10	BJAE	
CCCC1CC(CN)(C[C@@H](C)CC(C)(C)C)C1	1921279220	FSEPCJDRROODMW-HLIUYOAVSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@@H](c1ccccc1)C(C)C	1921286218	JYUHGLDGLANEEZ-HZPDHXFCSA-N	248.410	4.613	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@@H]1C=CCCCC1	1925772850	RAKMJEZGWFNJIH-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)CCN[C@@H](CC)c1ccsc1	1926171416	FUHQLYXKURRVMZ-AWEZNQCLSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](O)CCCCCCC(C)C	1933352862	KFEZIBDQUGOFSV-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
CCCc1ccccc1CCC1=CCCC1	1935972468	HKEMFXVGHQEGEY-UHFFFAOYSA-N	214.352	4.682	0	10	BJAE	
Nc1cccc(-c2sccc2C2CC2)c1Cl	1938183654	JQHWKWXNDQPAFT-UHFFFAOYSA-N	249.766	4.528	0	10	BJAE	
CCC[C@@H](C)C(=O)[C@@H]1CCCC(C)(C)CC1	1939899328	KLODYTGACCFPPW-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCN[C@H](C)C(C(C)C)C(C)C	1940244217	DAFCPTLZUWMMEZ-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)C1CCCCCC1	1940256347	PMZJRASXMPPBEO-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)C1CCCC1	1940405124	AAMHUUOHYVJXEI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CCC[C@@H]1CC1(C)C	1941251710	MLPOZTNOKFFKOB-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@H](CCC)C(C)C	1941263126	MQQCWEKMONTJEV-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(C(=O)CCCCCC2CC2)c1	1941586548	ZIESYZXXTZLGGT-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCC[C@@](O)(C1CCCC1)[C@H](C)CCC(C)C	1942653487	QVGFTHNQLXXEOJ-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@H](O)C(C)(C)C1CCCC1)C(C)(C)C	1944611582	XAPFWVZKXFHKBC-JSGCOSHPSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)C1CCC(C)(C)CC1	1944796636	GSBZAYCQGPXPAF-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](CC)C1CCCC1	1947460277	KDOKNHRVKUOHKD-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)[C@H](C)CC(C)C)c1	1948329369	ZJZURRIRUPXEGS-HUUCEWRRSA-N	233.399	4.786	0	10	BJAE	
CCC1(C)CC(CO)(CCCCCC(C)C)C1	1948413557	QRDCXDBSUGWHQA-UHFFFAOYSA-N	240.431	4.782	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H]1CCCC[C@@H]1C	1948931514	YBJQLNOODDUKMY-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C2(C)CCCCCC2)C1	1948983661	DPTRKIOGTVNQDD-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCCCC12CCC2	1949045299	NQPAUXLOXOUXNP-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](O)CCCC2CCC2)CC1	1950907592	FVJFJNUNXIKOFS-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]2CC(C)C)cc1C	1968254489	IFRFEABXAXYAAP-GOEBONIOSA-N	231.383	4.540	0	10	BJAE	
Cc1cccc(OCC2[C@@H]3CCCCC[C@@H]23)c1C	1968364371	JRPUBNDSEZLXNM-HUUCEWRRSA-N	244.378	4.509	0	10	BJAE	
CCCN(C[C@H]1CCCC2(CC2)C1)C1CCCC1	1968779796	VMCCMGWLCGRXBE-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NC1CC(CC)(CC)C1	1972937335	ZDAABBXZCCJHGZ-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
C/C=C/CCCC(=O)CC1CCCCCC1	1984589708	SVTLGBHBAUKFBQ-NSCUHMNNSA-N	222.372	4.662	0	10	BJAE	
CC[C@@H](CNc1ccc(F)c(Cl)c1)C(C)C	1988764976	QCEZLXDRJNPKNA-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CCCC1(C[C@](C)(N)C(C)(C)CC)CCC1	1989856636	BPEWHGUIABZBNU-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC(C)(C)C1	1990093736	NZDWSXXWFIZZOH-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CC(C)CCN(CCC(C)C)[C@H]1CC[C@@H](C)C1	1995896722	SIPALXSVJVPYIO-CVEARBPZSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CC(C[C@](C)(O)C2(C)CCCCC2)C1	1995991640	QWGNBNPJPKKFAL-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CC[C@@H](C)C2)CC1	1996272659	WHKOTCQBKJVMOG-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2CC=CC2)CC1	1997118049	VGUNUMYYRFABIW-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CCC[C@@H](C(C)C)CC1	1997198229	VFAPMQCUWHRNHJ-HZPDHXFCSA-N	233.399	4.882	0	10	BJAE	
CCCC1(CNC(C)(C)C)CC(C(C)(C)C)C1	1998236439	JPOQFQFTPCOYEY-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@H]1CCC=CCCC1	1999983268	KSJJBRSRJYBJFY-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](CC)CCC[C@H]1CCC=CCCC1	1999991619	BMIIDMOIEKFZAM-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
Clc1ccccc1NC[C@@H]1CCC=CCCC1	1999995231	CGCXUOQJMDXXPB-CYBMUJFWSA-N	249.785	4.888	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@H]1CCCC(C)(C)C1	2000022636	BMPBYZMMOAEFCA-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C2CCCCC2)C1	2000059872	UMLCZBAPROFRCI-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](CC)(CO)C1CC(C(C)(C)C)C1	2002311687	WUMCSZQUUZBWKQ-XUJLQICISA-N	240.431	4.638	0	10	BJAE	
CC(C)CC[C@](C)(O)C1CCC(C(C)C)CC1	2002924991	LTRACLDCNSYYFP-GPANFISMSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@H](C)CC(C)(C)C)C1	2003004543	GLZNHAOMCJXQQN-TUVASFSCSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@H]1CCCC2(CC2)C1	2003220239	GKVZKCMYPSAVKG-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CNCCC[C@@H]1CC1(C)C	2004705590	IKOZNAGHMISZIA-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H](C)c2csc(C)c2)CCC1	2006923787	WENJQPGWPXKIMU-DZGCQCFKSA-N	249.423	4.596	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CCCC(C)C)CC[C@H]1C	2006959765	WQTWQORLGZDNRV-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C1(C)CCC(C)CC1	2007694285	STJGJLKIUUBXTO-SIWZUTFBSA-N	237.431	4.667	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)c1cc(C)c(C)s1	2007938585	ZJMFARKYPFECAH-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H](C)CC(C)(C)C)CC1	2009404513	OCIUOUAYTRDAOY-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)CC[C@H]1C[C@@H](C)CC	2009407829	PMYPLFMKKIYSPO-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)CC1=CC[C@H](CC)CC1	2010770348	XXOXJPFDOVXJKW-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(C(=O)CC23CCC(CC2)C3)sc1C	2012800675	ALXLEGKLGNYIOL-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCC(CCC)CNC12CCC(CC1)CC2	2012834874	UXJHZAVOTRAVML-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)c1cccc2sccc12	2014849177	LHHWUAIDCNMFAF-GFCCVEGCSA-N	244.359	4.520	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H](C)C(C)C	2015388742	XBGSGZIOFIGJAT-CYBMUJFWSA-N	232.367	4.504	0	10	BJAE	
CCN(CCC(C(C)C)C(C)C)[C@H](C)C(C)C	2015393905	IYFSYWHETKNOJO-OAHLLOKOSA-N	241.463	4.671	0	10	BJAE	
CCC1(CC2(O)CCCCCCCC2)CCC1	2015588314	DRUNCLNOPZXKJV-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CCCC1(C[C@]2(O)CCC[C@H](C)CC2)CCC1	2015640054	NSSDLLGCOMRIHR-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@H](C)[C@@H](C)C2)CCC1	2015641984	LBQFHLCTYTZMJX-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@]2(CN)CC[C@H](CC)C2)CCC1	2015645294	SHAMDTWEBPYQKH-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C(C)(C)CCF	2016762240	NYONYGOLBHTCDL-CYBMUJFWSA-N	245.426	4.567	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC2CC=CC2)CC1	2017662165	HWXGZZMCMFCTGI-CTYIDZIISA-N	234.383	4.518	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCCC[C@@H]2CC)CC1	2018974924	NMRDWBRRIKVAJT-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCC1(CC)CCCN1CCCCCC(C)C	2019342893	SXIQFEVAEYUFOQ-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1CC[C@H](CC)C1	2020966081	NNIAPPQPUJPHIO-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CC(C)(C)C1(C)C	2025017495	BGGDWYBPWGEGHC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@@H](CC[C@@H](C)CCCC)NCCC	2026080074	DEHRXIFGRKUYJS-GOEBONIOSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H]1C=CCCC1	2026082414	QGJJQYGFDHMMCR-HUUCEWRRSA-N	236.399	4.908	0	10	BJAE	
CC1(C[C@@]2(CN)CCC=CCCC2)CCCCC1	2027306498	LJHQIOMTTVCYLT-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
Cc1ccccc1[C@@](C)(O)CCCCCC1CC1	2028618818	KLEPFTDYRGFAIK-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
N[C@]1(CCCCCC2CC2)CCCC12CCCC2	2028642701	CQSZLKKTJXCIJR-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1ccccc1CC(C)C	2028924843	YMGGFYMKCDLJIO-PBHICJAKSA-N	247.426	4.711	0	10	BJAE	
O[C@H](CCC1CCC1)c1ccccc1C1CCC1	2029078532	OWSUFXACFUWONI-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC1(N)CCC(C2CCC2)CC1	2032504393	ATELYWLZIHUQKB-AKBUMOGYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)C[C@@H]1CC1(C)C	2035601456	SJTLGJHMKWMOEY-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCC/C=C/CN[C@H](c1ccccc1)C(C)(C)C	2036763251	NJUDCDXZAUDZCU-AYAUWGRQSA-N	245.410	4.720	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(N)CCCC12CCCC2	2037179913	VEDFDZWHYOBEEV-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H](N)[C@H]([C@@H]2CCC3(CCCC3)C2)C1	2037685589	HIBDBSLDBDBFCA-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCC(=C[C@H]1CC12CCCCC2)CNC(C)(C)C	2039079805	VDKUYSLFPKMQLY-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CC12CCC(CC1)C2	2039417148	CMEVHXQPNMJSFD-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC12CCC(CC1)C2	2039422712	WYKSVOGZJLUHHI-DGNOSDGRSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@H]1C(C)=CCC[C@@H]1C	2039433393	BMEWHPVTJBQBRK-QEOTZNIISA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCCC3(CCC3)C2)C[C@H]1C	2041290048	NHSQNDFWNFYJDM-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@H]2[C@@H](C(=O)C23CCCCCC3)C1(C)C	2042340139	UNBPQZHPSBODNQ-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CCCCc1ccc([C@H](N)CCC2CCC2)cc1	2042743143	RVPJWGJRPHAQOC-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCCCc1ccc(N[C@H](C)C2CC(C)C2)cc1	2043545354	WQRPZDMSSJUYKD-NPCAHTBFSA-N	245.410	4.876	0	10	BJAE	
Cc1ccc([C@H](N)[C@H]2CCCC(C)(C)C2)cc1C	2045392699	XBDWKIMFXYUORR-HOTGVXAUSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(N)CCCC[C@H]2C2CC2)C1	2045400678	YFXMRVAMCQFYOV-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CN[C@H]1CCCCC12CCCCC2	2047586097	HDQYLVSKYOMWRN-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@@H](N)C[C@@H]2CCC23CCC3)CC1	2047933537	USFSLZSRIJLLJQ-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCC1	2048439957	RLZNSIACTUXTJF-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1[C@H]2CCCC[C@H]21	2048446959	OLVANGWVSOVSRO-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(C2CC(CC)C2)CCC=CCCC1	2048634424	PVUWRCNIZVAIQH-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2CCC3(CC3)C2)CC1	2049938651	SSAJSTIPMAWNKZ-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2C3CCCC2CCC3)C1	2050044262	YNJIZDCQVVCCQO-HHPWFTGOSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(CC(=O)c2ccccc2C)CC1	2050448261	BJTJZWPOPQLIPG-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1CCC12CCC2	2051404525	RTTVUEKZLATVPY-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CCC(N)(CC2[C@H]3CCCC[C@H]23)CC1	2051593829	HLOPREKXONWRLB-JCAIJIATSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1([C@H]2C=CCCC2)CCCCC1(C)C	2053395149	VRLPEAYSYLUALG-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)[C@@H]1CCCCC12CC2	2053412646	PYWDLXXTQUHZMS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(CCCNC[C@H]2CCCCC23CCC3)CC1	2053429741	GYGGRRXGZVEYGX-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CC1(C(=O)CCCC2CCC2)CCC2(CC2)CC1	2056536539	PSFFPVGCYIFNLA-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCC1(CC)CC(O)(c2ccc(C(C)C)cc2)C1	2058829062	CVPVGVGCLICSBJ-UHFFFAOYSA-N	246.394	4.598	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)C1CC(C)(CC)C1	2060921145	JERIBGBNEFXRSR-CRYBEJKASA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@]2(N)CCCC23CCCC3)CC1	2061113806	RXDBULGKNRUUCV-WMLDXEAASA-N	247.426	4.565	0	10	BJAE	
C=C=CCC[C@H](NCCC)C1(C)C(C)(C)C1(C)C	2061563705	RMDMGDHTCWGTKH-AWEZNQCLSA-N	249.442	4.548	0	10	BJAE	
CCCCCC1CC(N)(CC[C@@]23CCC[C@H]2C3)C1	2061616012	IDYCYKJOKLGWJM-VUROTCPHSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C(=O)CC1CC(=C2CCC2)C1)C1CCCC1	2061696618	SBQPCBQNGHDXPI-LBPRGKRZSA-N	246.394	4.662	0	10	BJAE	
N[C@@H]1CCCCCCC[C@@H]1CC1CC(=C2CC2)C1	2061736041	BAURAGZJMPRTRY-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)[C@@H]1CCCCCC12CC2	2062196437	LSBKQKQWYWPZPV-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCN[C@@H]1CCC2(CCCCC2)C1	2062608144	LTFSTTTZHMRZHZ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC(CC3(CN)CCCCC3)C2)C1	2063204436	PPRXCZCYWZNDPK-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC2C[C@@H]3CCC[C@H]3C2)C1	2063430975	LITOMGBVYHRPSF-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2C[C@@H]3CCC[C@H]3C2)C1	2063499729	CLTKWRKQLCUABB-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(CC([C@@]3(N)CCCCC3(C)C)C2)C1	2063796038	BGELUVHXTQDWDC-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]1[C@@H](N)CC12CCC(CC1)CC2	2065302279	GBBGUXHMWJKGTF-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)[C@@H]1CCC1(C)C	2068240614	WVXUOBBSANJWBF-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC1C[C@@H]2CC[C@H]2C1	2068778180	ICIWPIDTFGEJRB-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CCC1)[C@@H]1CC12CC2	2069341658	HQBDRJHGHLCKKP-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1CC2CCC1CC2	2070308007	JOZPVBAFXQRCRB-BACDZXNISA-N	249.442	4.667	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C	2070400896	ZJXYWIMFPSDCIG-FXUDXRNXSA-N	249.442	4.536	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C[C@@]12CCC[C@H]1C2	2070972078	QRGQTJYQYISILW-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CN1CCC[C@H](C2CCCCC2)C1	2072410801	FXTHHNHCTIURMH-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H]2C=CCC[C@H]2C)CC1	2072802806	BLGIPSIFKSZZIG-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)CC2CC3(CCC3)C2)CC1	2072882376	VPLSBZOMCSPRAM-HDJSIYSDSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@](O)(CC)c1ccccc1C1CC1	2073350954	QUCAEBAILLXPJZ-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@]12CCCC[C@H]1C2	2074029781	PMEIVPPNXAKYQE-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H]1CCNC2(CCCCC2)C1	2074137589	BYDPTNLCFFQSCN-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](N)c2c(C)cc(C)cc2C)CC1	2074569714	VIYPCMJTWAJFAZ-HNNXBMFYSA-N	245.410	4.582	0	10	BJAE	
CCCC1(C[C@@H](CC23CCC(CC2)C3)NC)CC1	2074642112	QIWMZLYONFDTKS-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)c1cocc1C	2074649653	VYCCPAIICBCNNU-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC1CCC([C@@H](C)N(C)[C@@H]2C=CCCCC2)CC1	2075405845	VMKOWERIQWZMMB-MNAZLIDISA-N	249.442	4.632	0	10	BJAE	
NCC1(C[C@@H]2C[C@H]2C2CCC2)CCCCCCC1	2079312466	QDRGEZYQQDNPTH-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2C[C@@H]2C2CCC2)CCCCC1	2079441076	VWPXUEWRKJHQPT-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CC[C@@H](C)C[C@H]1C	2081947407	SBUWAGGSUBLDSX-LALPHHSUSA-N	249.373	4.625	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@H]2C[C@@H]2C2CCCCCC2)C1	2082262870	XGBPHYAZVRVZBQ-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
CCCCCCC(=O)Cc1cc(C)cc(C)c1C	2082948117	CENVPHXGCYXWSA-UHFFFAOYSA-N	246.394	4.694	0	10	BJAE	
CC(=C[C@H]1CCCC(C)(C)C1)C[C@H]1CCCCN1	2082979893	RBNXFSBECUXKJM-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)[C@@](C)(O)CCCCCCC1CC1	2210526826	JSJYSHHHENRIFN-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)CCCCC1CC1	2211111056	DDHDDNJSXMLUIL-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCCCC[C@]1(O)CCC[C@@H](C(C)(C)C)C1	2212101815	XPQWNRAMBLIXMQ-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC[C@](N)(CCCCCCC1CC1)C1CCC1	2213571130	DRTZSIOUHXXAHK-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCCCCC2CC2)[C@H]1O	2213581676	ZOHGBZWYWPYUMI-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC(F)(F)CCC(=O)[C@]1(C)CC=C(C)CC1	2215824719	WPVXKTOIJDNDCF-CYBMUJFWSA-N	244.325	4.518	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CC1)C(C)(C)CCC	2216282120	GMAPPWWIZLZNGB-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCCC(F)F)C(C)(C)CC	2216446968	KIRBORLHVBQHQG-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC(O)(CC)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216744322	JTGFJYQUTKNNFQ-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C=CCCCCCCC1CC1)CN	2216864945	VYKXWIIDKUTHNU-INIZCTEOSA-N	237.431	4.524	0	10	BJAE	
CC1CCC(C(=O)C2C[C@H]3CCC[C@H](C2)C3)CC1	2218338528	IAHWZQJVDRLFEO-GQKFXUNGSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)NC/C=C/c1ccccc1	2219045703	GIUDZVOFUYYSKY-VGMNTSGFSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)C/C=C/c1ccccc1	2219081169	GMQNQDACWGNNRX-PZJZIFHPSA-N	245.410	4.504	0	10	BJAE	
CCCCCC[C@H](C)Nc1c(C)cccc1OC	2220295741	XXKPEDJMPFSPLR-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CCC(CC)(CC)CNc1ncccc1C1CC1	2221398423	QZAAYAWISOTHGJ-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@@]1(C)CC=C(C)CC1	2221628738	DCHSVFRCYCKXPQ-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCCC1(NC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	2222916137	IWMBNRZVIHEWLC-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
N[C@@H]1C[C@@H](CCCCCCCC2CC2)C12CCC2	2223130744	QBHYBIJSOPVXEJ-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)NCC1(C2CC3(CCC3)C2)CCCC1	2223573131	LTBYFVUUGJCUCU-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1csc(C)c1C	2242610829	FDDZLTBEUHZFAO-CQSZACIVSA-N	239.428	4.581	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1ccc(C)c(Cl)c1	2244781337	DPKPLTOYOAPDHH-BXUZGUMPSA-N	240.774	4.508	0	10	BJAE	
CCCN[C@@H](c1ccsc1)[C@@H](CC)CCC	2244784345	MZWXAKWLXWQTKV-GXTWGEPZSA-N	239.428	4.615	0	10	BJAE	
CC1CC(C)(C[C@H](O)CCC2CCCCC2)C1	2246443941	OSXBDXKCVQIKSR-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
C[C@H]([C@@H](O)CC[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2246691445	IBTKLGXRBSPXMM-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@](C)(O)CCC(C)(C)C	2247119602	KYMFTIWILWCWLA-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCC2(C)C)C1	2247390203	FNXNLOHZTWJAMQ-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)CCC1CCC1	2248807798	LCEYGTXCSUSTFS-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CC1CCCC1)c1ccc(C2CCC2)s1	2250295168	ONTGVUVMCZJWOV-ZDUSSCGKSA-N	249.423	4.596	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CCCCCCC1CC1	2250371752	NDFVBHWJZGKKJY-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)[C@@](C)(N)CC1CC(CC(C)(C)C)C1	2251490536	BNNIBSCFMHOVSQ-USPMSXPRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)C[C@H]1C(=O)C(C)(C)CCC1(C)C	2251713120	QTZQMOQSNRIDSP-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
C[C@@H](C1CCC1)[C@@H](N)CC[C@H]1CCCCC12CC2	2253866440	QYYIZXUSSJUMGB-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@@H]1CCCCC12CC2)C1CCCCC1	2253870772	XBTJLOMNPNLTKT-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CC[C@H]2C2CCC2)C1	2253998278	UJWAMZXUQIFING-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
CC(=O)C[C@H](C)CCC12CC3CC(CC(C3)C1)C2	2254024454	ZMGPYGNASCQISH-LMWIKNPDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H]1CCc2cc(N)ccc21	2254506846	WXMIAMXDMIXOBV-MGPQQGTHSA-N	243.394	4.515	0	10	BJAE	
N[C@@H](CC[C@H]1CCC12CCC2)CC1CCCCC1	2255029811	UUBXJSHDLYRCEK-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1C[C@H](CC)C[C@H](CC2=CCCCC2)C1	2255094400	APETXIVZGZWJIU-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCC[C@H]1CCCC12CC2	2255221622	BEDMMWQEHFFMGM-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)[C@@H]2CC23CCC3)CC1	2256429633	YQMPVHXYBZFRDU-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1C[C@@H]2CC[C@@H]2C1	2257249609	WTIFNYFQLFMIMV-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@@]12CCCC[C@H]1CC2)C1CCC1	2260580662	BSTIQUMSDCSNBT-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1OC[C@]12CCC[C@H]1CC2	2260587417	MSQMMLAHACRIFJ-WMLDXEAASA-N	244.378	4.769	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@]23CCC[C@H]2CC3)C1	2260669193	HIZHDTKVZQAKMU-USXIJHARSA-N	249.442	4.502	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@@]23CCCC[C@@H]2CC3)CCC1	2260672709	PSTBJSAXYKXVNV-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
CCC(CC)CC(=O)c1cccc(CC2CC2)c1	2260906400	CRNXQQDIZHKAOD-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@@H](CC)NC[C@@]12CCCC[C@@H]1CC2	2298700477	COLUNHOADKCUGF-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H](CC(C)C)C(C)C	2300676538	PUFNXIIOLWOPRE-CVEARBPZSA-N	241.463	4.848	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](C(C)C)CCC1=O	2300699280	FQAGDEPCUDHNFL-HUUCEWRRSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCC(C)(C)C[C@H]1C	2300702281	WUWVXUMJNJCXBW-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC(=CC[C@H](O)[C@]1(C)C[C@@H]1C)CCCC(C)C	2300863497	PQYFFJIVWBXADS-HRCADAONSA-N	238.415	4.556	0	10	BJAE	
CCC(C)=CCn1c(C)cc2cc(Cl)ccc21	2300897332	RNHKRCPNGMYTBG-UHFFFAOYSA-N	247.769	4.959	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CC[C@@H]1C[C@@H]1C	2300902923	ZDZZLZXWSWTERL-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](N)C1(C)CCCCCCC1	2300907765	WFJSHZZXCLPWGD-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
Cc1ccccc1-c1nc([C@H]2CC2(C)C)cs1	2301178949	DYEMFBJMMMCLKJ-GFCCVEGCSA-N	243.375	4.632	0	10	BJAE	
C[C@H](CC(=O)CCC1=CCCCC1)C1CCC1	2301920469	CJUITXGDFCWMIR-CYBMUJFWSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](O)CC1(C)CCCCC1	2302618758	AXPCCADXNOIYMK-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCc1cscc1N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2	2302884466	FTFRHRCEDGHMPZ-AUZPSNTRSA-N	249.423	4.547	0	10	BJAE	
CCCNC[C@@]1([C@@H](C)CC)CCC(C)=C(C)C1	2303581854	CKQXFZJYRNPDKY-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CN[C@H](CC[C@H]1CCC(C)(C)C1)CC(C)(C)C	2304412555	UVWYDRYFGIQDAP-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C)C[C@H](C)CC[C@@H]1CCC(C)(C)C1	2304418019	KWEFCGUUZVEXMA-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
c1cc(N[C@H]2C[C@@H]3CC[C@H]2C3)cc(C2CCC2)c1	2308578320	TVTXQWWQTFHPAB-PVUWLOKVSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CCC(C)(C(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309899663	LGPTUPNQSOTRMQ-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)[C@@H](NC)[C@@H]1C[C@H]1C1CCCCCC1	2311536355	MXXNUDJZXKRVQV-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1C[C@H]1C1CCCCC1)C1CC1	2311608315	DLQSKXYKLWNYAV-BHYGNILZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312907939	SFLAVUBTWUWBFV-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312909233	JMNZLVRBCZCCFQ-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313180593	FBTBXJGEFJVSSS-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1C[C@@H]2CC[C@@H]2C1	2315892288	RXMHXXRSPTYCSD-MUJYYYPQSA-N	243.394	4.719	0	10	BJAE	
CCC(C)=CCNC[C@@H]1C[C@H]2CCCCCC[C@@H]21	2316488591	BYTUSMJJWSYRDL-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C1CCCC(C[C@@H]2CC[C@@H]3CCCN[C@@H]3C2)CC1	2317003000	SJISBWSUQCRFGJ-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317118045	FTYVWFIHZILQEE-QBPKDAKJSA-N	249.442	4.680	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1C[C@H]2C=C[C@H]1CCC2	2317121505	LXKLWLZLZPFGDE-VQHPVUNQSA-N	249.442	4.536	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2)C(C)(C)C	2317214896	SQICZIREVXTFFC-GBJTYRQASA-N	248.410	4.620	0	10	BJAE	
CC(C)CCC(=O)CC(C)(C)Cc1ccccc1	2317285565	OWVNQXLXZXOZAA-UHFFFAOYSA-N	246.394	4.651	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)[C@H](C)C(C)C)c(C)c1	2317629324	HDJYXOFDIPXXMJ-OAGGEKHMSA-N	247.426	4.635	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@@H](N)CCC1=CCCCC1	2317903048	AWTCNURSUUEQTI-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H]1CCC[C@@H]1CCCC1=CCCCC1	2318589683	SZQKRZUMXPKOCM-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CC1=C(C)C[C@H](C[C@](C)(N)C2CCCCC2)CC1	2320329934	JRWKZNAXHYUDGS-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCc1cc(F)cc(NC2CCCCCCC2)c1	2321082056	IDLBZBJLWVKUHL-UHFFFAOYSA-N	249.373	4.913	0	10	BJAE	
CCCC[C@H]1[C@H](CCC)Cc2ccccc2N1C	5310150	QQIPKPMNDCNWQY-ZBFHGGJFSA-N	245.410	4.654	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cc(C)cc(C)c1	20000337	RURJVQQXBVWZQD-WFASDCNBSA-N	233.399	4.930	0	10	BJAE	
CCCCCN[C@H](CC)c1cccc(Cl)c1	21045673	QXMBRVNLTQPAQY-CQSZACIVSA-N	239.790	4.571	0	10	BJAE	
CCc1ccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1	21518864	OHQGDQBHDJSAET-CJNGLKHVSA-N	245.410	4.876	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)C2CCCCC2)cc1	21520109	CUMGVOMEVPTVLU-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1cccc(F)c1	22154329	PKJVWXVSUPYTSU-CABCVRRESA-N	249.373	4.843	0	10	BJAE	
CCCCc1ccc([C@H](O)C2CCCCC2)cc1	36171563	VFSLXXGURLEPIH-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1ccc(C(C)C)cc1	36819845	BMDAJPDOJNYXGO-HNNXBMFYSA-N	233.399	4.507	0	10	BJAE	
CC[C@H]1CCC[C@H](Sc2ccc(C)cc2N)C1	71150145	OPKGCJINJZVECK-STQMWFEESA-N	249.423	4.638	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](Nc2ccsc2)CC1	85527705	BXVOVQAZLAMCJA-QWHCGFSZSA-N	237.412	4.765	0	10	BJAE	
CC1(C)CCC[C@H](NCCC2CCCC2)CC1	86904616	VFNPKJQEYDQUFR-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)CCC(C)(C)C	87163519	ZPDDOCYCUPPLCW-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)C2CCC(C)(C)CC2)c1	87941598	AGWUUQHFYLSHPP-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
CCCCCCC(C)(C)CCNC(C)(C)C	87957564	MFLNDBBOQHNZBU-UHFFFAOYSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](C)C[C@H](CNCC)c1cccc(C)c1	93125187	JLAKJACPMPTDTH-WMLDXEAASA-N	247.426	4.514	0	10	BJAE	
CC(C)CCCCCCN[C@H]1CCCC1(C)C	94303775	AZRITMUOODGNJT-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCNc1ccc(N(CCC)CCC)cc1	107797052	DXGAJCZIDOSSJA-UHFFFAOYSA-N	248.414	4.525	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)c1ccc(C(C)C)cc1	109718145	NFFLYNYGOHLZOB-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
CCCCC[C@@H](C)Nc1c(C)cccc1CC	109899964	HMEQAIKVOSNHSE-CQSZACIVSA-N	233.399	4.938	0	10	BJAE	
CCC[C@H](NCC1(C)CCCC1)c1ccccc1	111619881	DXWMZHQEJHHVCQ-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CCCCC[C@H](CC1CCCCCC1)NC	125358325	KAKADJULKFHWCI-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](C)CNC1CC(C)(C)CC(C)(C)C1	125471082	IOVACTFUCKKLGG-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)C(=O)[C@H]1C[C@@H]1c1ccccc1	128388974	QYUFJLGCUNEUKV-CVEARBPZSA-N	244.378	4.576	0	10	BJAE	
CCC[C@@H](CC)NC1CCC2(CCCC2)CC1	129371740	ABLHFBGRWCMBKK-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
Clc1nccc2ccc(-c3ccccc3)cc12	137702552	HVFQIZTVWSDSOD-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CCCCC[C@H](CC1CCCCC1)NCCC	159564285	LRDZLUZMANSGEB-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)NC[C@H](C)C(C)(C)C)c1	162711718	JKPWJNQECMBYMW-LSDHHAIUSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H](C)C1CCCCCC1	164127439	SKPBTPJBRJNGLI-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H]1CCC[C@H](C)C1	165831487	YSWMOADFWJOALB-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)Nc1ccc(C(F)(F)F)cc1	169067578	GTEOKVRKRNTYPJ-UHFFFAOYSA-N	245.288	4.696	0	10	BJAE	
COc1ccc(CCCCCC=C(C)C)cc1	209916018	LEWJTTUYDDOCHA-UHFFFAOYSA-N	232.367	4.764	0	10	BJAE	
Cc1sccc1C(=O)C[C@@H](C)CC(C)(C)C	227886583	IEQPXJDCYOOPBI-SNVBAGLBSA-N	238.396	4.702	0	10	BJAE	
Cc1cc(F)c(N[C@@H](C)CCC(C)C)cc1F	232579864	QAUDHFORQVQWCM-NSHDSACASA-N	241.325	4.510	0	10	BJAE	
CCCCCC(CCCCC)N[C@H]1C[C@H]1CC	232949346	IVTGIMNGHQZGEU-ZBFHGGJFSA-N	239.447	4.904	0	10	BJAE	
CCCCCC[C@H]1Nc2ccccc2C[C@@H]1C	232971986	HGRGZWIGVVTYLI-DZGCQCFKSA-N	231.383	4.630	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)c1cccs1	233620355	BFKQURFENKEJEA-OAHLLOKOSA-N	249.423	4.679	0	10	BJAE	
CC[C@H](C)C[C@@H](C)Nc1ccc(C(C)(C)C)cn1	233986736	UKJJOBITJWDKKC-QWHCGFSZSA-N	248.414	4.616	0	10	BJAE	
CCCCCCc1cc(Cl)cs1	238231166	MRGOJWSPNBNUHO-UHFFFAOYSA-N	202.750	4.524	0	10	BJAE	
C/C=C/C[C@H](C)c1ccc(CCC)s1	238284355	RAYRWLGFVBCTPD-MALLOTDXSA-N	208.370	4.770	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H]1CC[C@@H](CC)C1	250347567	BYTQHZATBAKFRR-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)CCC1CCCCC1	302473207	ZOYKYHPXVSEUNS-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(F)cc(C(=O)CCCC(C)(C)C)c1	304134897	CAFATBFGBGQPEL-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(O)CCC1CCCC1	305897515	QFGBMFZZNSYNBC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCc1c(Cl)c(SC)cc2sccc12	306573506	BKNRSSFJQDFEEO-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CSc1cc(Cl)c(S)c2ccsc12	306586312	RFNQAUWELOGBJJ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@H](CC)CC(C)C	308093172	JHBARYYWCVEUOD-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)c(O[C@H](C)c2ccccc2)c1	310070402	DDHHZYAXKAFQBH-GFCCVEGCSA-N	246.737	4.788	0	10	BJAE	
C[C@H](CCC[C@@H](O)C(C)(C)C)C1CCCCC1	310355080	RQSWDHQZZMCEKA-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@@](C)(O)CC1CCC1)C1CCCCC1	310470879	IIDFDMQXXCJMAI-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCc1cc(N[C@H](C)C2CCCCC2)ccc1C	310628215	XYZDNTGAZLCUNA-CQSZACIVSA-N	245.410	4.938	0	10	BJAE	
CCCC1CCC(CNC)([C@@H](C)CCC)CC1	317940558	FIQMUJDHHIEAES-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@]1(CNC(C)(C)C)CC[C@H](C)C1	318021917	OJDDAZBETZLNDK-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1ccc(C)c(Cl)c1	320165754	LRLLTEDAOBSAJN-MWLCHTKSSA-N	238.758	4.513	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)C1(C)CCCC1	379995420	VTLOHSVEJAEMBS-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C1=C(CC[C@]2(C3CC3)CCCCCN2)CCCC1	385137417	HWIYTXBSPDJRCO-KRWDZBQOSA-N	247.426	4.579	0	10	BJAE	
C[C@@H](CC(C)(C)C)NCC[C@@H]1CCC[C@@H](C)C1	385225358	SZGFLUBUQHTVQF-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CC1CCC(C)CC1	385257263	UDODVPQGGCMVMG-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCNc1cc(C(C)C)nc2c(C)csc12	387341027	QFNUQORONXIAED-UHFFFAOYSA-N	248.395	4.550	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1[C@H](O)c1ccccc1C(C)C	387732789	STECQUPWKPEGCS-KBRIMQKVSA-N	246.394	4.526	0	10	BJAE	
C[C@@H]1CCC[C@](O)(C[C@@H](C)c2ccccc2)CC1	395234128	CZDUDDLAHJGLOF-BFYDXBDKSA-N	246.394	4.512	0	10	BJAE	
CCc1csc2ccc(C)c(C(F)F)c12	396250135	QSYJKNNFTQDVDX-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCC[C@H](N[C@H](C)C(CC)CC)[C@H]1CC1(C)C	397599305	MSDNIEDSHXFNCZ-YUELXQCFSA-N	239.447	4.616	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CCCCC2)[C@@H]1CC1(C)C	397813205	OVBOLZYHRKPSHP-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CCCCC2)[C@H]1CC1(C)C	397813214	OVBOLZYHRKPSHP-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CCSc1ccccc1N[C@H](C)[C@@H]1CC1(C)C	397848475	QXNJKXXCQHNLDC-NEPJUHHUSA-N	249.423	4.645	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](C)C(C)(C)C)cc1Cl	399095313	BSEMGMLZTKRDGZ-SNVBAGLBSA-N	238.758	4.513	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@@H](C)C(C)(C)C	399140014	ZJHGSWZACLAALW-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC1CC1)c1cc(C)cc(C)c1	405828794	DWQPTZRQYSJAGO-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCC(CC)[C@H](NCC1(C)CC1)c1ccccc1	687302435	NXFJMHGSUAJTEH-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1cccc(-c2cc(Cl)ccc2N)c1	688967353	OFFMDVIPJPDNEO-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCC1CCCCC1	689752136	GINQHSSZFQJLQT-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCNC[C@@]1(CC2CC=CC2)CCC[C@@H](CC)C1	692155281	MCEDUMPVOCDEPP-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)CCC[C@@H](NC)c1ccccc1	696799024	IGTMEUMMAIVSFX-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
CCc1ccccc1NC1C(C)(C)CCC1(C)C	699610308	SOSXDQPVESXLAS-UHFFFAOYSA-N	245.410	4.876	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCC(C)(C)C[C@@H]1C	704494719	HFVVGSWSWSAESC-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC2CCC1CC2)C1CCCC1	704936313	ADRSKBWLCLNZFF-NDTCATRNSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@@H](C)CC(C)(C)C	708253638	GQFNPFXCLGSVEO-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(CC)c(C(=O)[C@@H](C)CC(C)C)c1	709124501	MQKIQUCQNWWPBC-ZDUSSCGKSA-N	246.394	4.676	0	10	BJAE	
C[C@H](CC1CCCCC1)Nc1ccsc1	709765447	UWJRKRNOIMRICC-LLVKDONJSA-N	223.385	4.519	0	10	BJAE	
CC[C@@H](C(=O)C[C@@H](C)C(C)(C)C)c1ccccc1	711142756	COMWUCQSZCQZSJ-UKRRQHHQSA-N	246.394	4.822	0	10	BJAE	
CC[C@H](CC(=O)CCc1ccccc1)C(C)(C)C	711183142	BMWGDZMGVLXTCM-OAHLLOKOSA-N	246.394	4.651	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)C[C@H](C)C(C)(C)C	711223766	HSZGWFTXLOVBCS-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CC(C)(C)C(C)C)[C@H](C)CCC	713216083	KVDUPBIUZYHUEZ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)c1ccc(C)s1	713697584	UTVAFWMAHYCKEE-PSKZRQQASA-N	249.423	4.620	0	10	BJAE	
C=C/C=C\CCC(=O)c1ccc(SCC)cc1	713725261	PNVBWFKCVYXXSJ-WAYWQWQTSA-N	246.375	4.504	0	10	BJAE	
O=C(CC1CC=CC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714391313	UIXBOQUIQRREJI-HRCADAONSA-N	246.394	4.518	0	10	BJAE	
CC/C=C/C[C@H](C)c1ccc(CC)cc1	714560484	MBOUBFGYPMROPP-YBJDMEARSA-N	202.341	4.709	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@H]1C1CC1)C1CCCCCCC1	714768387	CPKXGDYDODCXCD-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CC(C)(C)CC[C@@H]1C	717532189	KNQGROWSLZFWRS-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1ccc(C(C)C)cc1	718692677	OJTICYVAHXTDJK-QGZVFWFLSA-N	246.394	4.980	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)C1(C)CCC1	720707388	KIXYZBKDHKKLPK-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC(C)(C)C(F)(F)CC	721747990	FRTIKRPNKRTMSG-LLVKDONJSA-N	249.389	4.602	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)CC(C)(C)C	723543320	DNQPBKJFCFTIML-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CCSCC1(C)CCCCC1	1189381235	NHJKIOXZXAMAPX-PLNGDYQASA-N	224.413	4.822	0	10	BJAE	
CC(C)(NCCC1=CCCCC1)C1CCCCC1	1617555771	ZYEDASUKXOVGPY-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCCCCC[C@H](C)NC1CC(C(C)(C)C)C1	1621359717	LKRZYVQSBJTWBD-NFOMZHRRSA-N	239.447	4.760	0	10	BJAE	
O[C@H](CCC1CCCCCC1)c1cccs1	1901058582	NIYFEDFKKJBXKE-CYBMUJFWSA-N	238.396	4.532	0	10	BJAE	
Cc1sccc1OC[C@@H]1CC[C@H]1C(C)(C)C	1904933902	VLOIMQRBWGAKDI-NWDGAFQWSA-N	238.396	4.508	0	10	BJAE	
C[C@@H](C(=O)CCC[C@@H]1C[C@H]1C)C1CCCCC1	1908547544	TZZWZBTWBYNVSX-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1C[C@H]1C(C)(C)C	1910644845	PKIKFYBRSIUCLG-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@@]1(CNCCC)CCCC[C@H]1C	1911846602	LGDBKTIDMPCXKV-SJORKVTESA-N	249.442	4.705	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H]1CCCCCCCC[C@H]1O	1913394117	ZVYORJXYVNAXCU-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@H]1CCCCCCCC[C@H]1O	1913593535	LVXPAYYSNNIIMH-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCC2(CCCC2)C1	1916406421	OWJDIEONMDHSHW-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCCCCC[C@](O)(c1cccs1)C(C)C	1919891477	VNYGOTMIDQZZRM-CQSZACIVSA-N	240.412	4.562	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(O)c1ccc(C(C)C)cc1	1920042407	BUEXGYGBDYPEOB-RHSMWYFYSA-N	248.410	4.844	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C=CCCCC1)C1CCC1	1925779382	YKVQOPJDEKDYBR-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1CC[C@H](C)C1	1925944495	DWUFQAIXUCJGMP-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H](C)[C@@H](C)CC	1926151092	AOHNJTAJTAMFMT-SQWLQELKSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1ccsc1Cl	1933723530	QSPFLMDVSNVGEU-SNVBAGLBSA-N	245.819	4.618	0	10	BJAE	
CC(C)C(C(C)C)[C@H](C)NC[C@@H](C)C(C)(C)C	1940246210	OQCLLAZHXHKGLJ-KGLIPLIRSA-N	241.463	4.575	0	10	BJAE	
Cc1ccc(NCCC[C@H]2CC2(C)C)c(C)c1	1940873574	RKRIVAVGLHRVIC-AWEZNQCLSA-N	231.383	4.542	0	10	BJAE	
CCC[C@H](O)CCC1CCC(C(C)(C)C)CC1	1941153236	CLXYDZWIDMPWID-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cccc(C2CC2)c1	1941532423	SWPOWONMJONFCL-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CC1(C)CCCC[C@]1(O)CCCCCC1CC1	1941575767	PKKXHVBMJAKLCL-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@H](NCCC)C1(C)CC(C)(C)C1	1941986245	VMOMBCHTSHAURU-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C1C[C@H](C)C[C@@H](C)C1	1943043267	NKUYRPPNJPEDDQ-IOASZLSFSA-N	237.431	4.523	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@]12CCCC[C@H]1CCC2	1944191123	ZPYQRPVJENVOCU-HRCADAONSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cccc2sccc12	1945970936	VBNPHCVKOVUTOW-CYBMUJFWSA-N	248.391	4.761	0	10	BJAE	
Clc1cccc(N[C@@H]2CC[C@H]3CCCC[C@H]32)c1	1946336923	LQGXJHYEHOEBOD-KCPJHIHWSA-N	249.785	4.721	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1c(C)coc1C	1947520231	SUYITEKKHWDNHB-ZDUSSCGKSA-N	236.355	4.686	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC1CCC=CCC1	1949075594	KNEVZANDWZHVHA-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(CO)CCC[C@@H](C)CC1	1950918227	RBPMKGRGJYHCNC-OWCLPIDISA-N	240.431	4.638	0	10	BJAE	
CC(C)(C)c1ccc(-c2sccc2C=O)cc1	1951259170	DRWVPOVBVTWIAG-UHFFFAOYSA-N	244.359	4.525	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1F)C1CCCCC1	1968326827	NZZMGMYCJVAIGM-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
CCC[C@H](C)CN1CCCC(CC)(CC)CC1	1972282570	HDFLGJDXLCSVEH-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CC(C)c1csc(C2CCC3(CC2)CC3)n1	1983319420	ZISXVMSIMGYECZ-UHFFFAOYSA-N	235.396	4.704	0	10	BJAE	
CCC[C@H](NCC(C)=C(C)C)c1cccs1	1989629107	XEXDVRJXLIIUKL-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
CC(C)=C(C)Cn1ccc2cccc(Cl)c21	1989652401	VWYAODFJCYHPDH-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
c1cc([C@H]2CCCN2C2CCCCCC2)cs1	1995666438	DXRBAFFPEDNBAP-OAHLLOKOSA-N	249.423	4.608	0	10	BJAE	
C[C@@H](Nc1cccc(Cl)c1)C12CCC(CC1)C2	1995986864	GYWPRGOUQLBCAK-XIKARTHZSA-N	249.785	4.721	0	10	BJAE	
CCCN[C@H](CCC)[C@H](CC)C1CCCCC1	1996592704	CTPMAGGZNBYPTG-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](N)(CCC1CCCC1)C1CCCCC1	1996595739	YFLCHYCZLCKFIY-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@H]1CCC[C@@H](CC)CC1	1997107858	FEBRXIHHUGGGEJ-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@@]1(C)CC=CCC1	1997607997	XXPNQSBAVJORSO-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
Oc1ccc(SC[C@@H]2CCC=CCCC2)cc1	1999999825	WTTOCAYMZKFTLF-CYBMUJFWSA-N	248.391	4.621	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@H]2CCCC(C)(C)C2)C1	2000099956	RPAXNZWNONLORM-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCC12CCC2)NCCC	2001858770	FYROUGUDDMQKBG-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)C1(N)CCCCCCCC1	2003099873	PKWGSULQYWMQER-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CC2(C)CCCC2)C[C@H]1C	2003179732	RWQHFGZXSNEVDP-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@H]1CCCC2(CC2)C1	2003277169	HEVBPGXYRLDBRN-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1C[C@H](CCC(C)(C)C)CC[C@H]1C	2006959801	WSAKULXFQZQYNN-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)[C@@H](C)CCC	2007748817	HCIODYBYGWMCAV-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@H](C)C(C)(C)C	2009545162	XCMSPJDRXSNAEQ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@]1(N)C[C@@H](C)CCC1=C(C)C	2009574952	YFZZNQKEUBRRPM-HMRWBYCRSA-N	235.415	4.587	0	10	BJAE	
CC=CCCC[C@@]1(O)CCC2(CCCCC2)C1	2009594839	UEXPIYSVNFAIMH-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
C=C=CCC[C@@H](NCC)[C@H](CCC)CC(C)C	2010995970	VICMYTVOIIATAL-HZPDHXFCSA-N	237.431	4.548	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@H]1CCC2(CC2)C1	2011643879	IDPZQNQXSKWPPW-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
Clc1ccc(NC[C@H]2C[C@@H]3CCC[C@@H]3C2)cc1	2011968385	BJEMAASZAJRCGQ-XYYAHUGASA-N	249.785	4.578	0	10	BJAE	
Cc1ccc(N[C@H](C)C2(C)CCCC2)c(F)c1	2014338650	JACFSFKZYHLHTN-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CC(C)CCCCC=C1CCN[C@@H]1C(C)(C)C	2014552270	DPAGHFRHIYGWNM-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@H]2CCC2(C)C)c1C	2014895481	JPNOHPFRMKFUFX-KGLIPLIRSA-N	231.383	4.540	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)[C@H]1CCC1(C)C	2014934574	LENUJECDAUGROV-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC(C(C)C)C(C)C)C1	2015283641	GMYJSMASORAOBR-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@@H](C)C(C)C	2015400849	REWDOLZPFOAQKO-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCCC1(CC(=O)CC2CC(C)(C)C2)CCC1	2015593634	DNSZCENMTSGYOY-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C1(CC(C)C)CC1	2015755110	NMRMMNPLNFLZSK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)NC[C@H]1CC[C@H](CC)CC1	2017721757	LIVFEGNTAZCBNM-SHTZXODSSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@@H]1CCC	2018129125	ATOKVNWRNFWNCN-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CCC1(C[C@H](N)C(C)(C)C2CCCCC2)CC1	2018994834	MIUQWPLNRCARSM-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](N)C[C@@H]1C[C@@H]1C1CCCCC1	2022485797	ULTRQMOXQHPXIK-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C[C@H]1C[C@H]1CCC)NCC	2022486278	MGJGWNOAIUGJOY-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(CCC)CCCCCN1	2022486521	XHISPQFVWCCQKC-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@H]1C[C@@H]1C1CCCCC1	2022556754	IOPNNGFKQHGSEK-DUVNUKRYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)[C@@H]1C=CCC1	2023257798	XEHVCWZEPWWTFI-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCC1(C(=O)CCCCC(C)(F)F)CCC1	2023353274	LOYBGXAMIOMOTQ-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
Cc1cc(Cl)c([C@H]2[C@H]3CCCCC[C@H]32)cc1N	2023945795	NXLFBRVUEOAHOO-QHBPRCKVSA-N	249.785	4.524	0	10	BJAE	
CCC[C@@](C)(O)CC1CC(C)(C)CC(C)(C)C1	2024116168	HBZRYRRRODQQRH-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC1(CCC[C@H](O)c2cccc(C3CC3)c2)CC1	2027830050	AJBNXVJNKKZLEJ-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CC[C@H](C)C[C@@H]1Nc2cc(C(C)(C)C)ccc2O1	2027872042	WUISMWSZIOVVDL-XHDPSFHLSA-N	247.382	4.551	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)c1cccc(C2CC2)c1	2028551108	CBCLFVYGWKPBFP-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1cccc(C2CC2)c1	2029838875	VFGOQSAJFMSFQF-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2[C@H]3CCCC[C@H]23)C1	2032776137	MFGDMTMNMKDTKU-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H]1CCNC12CCCC2	2034112052	IQKVCHVQRCRTGB-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CC23CCCC3)cc1	2036100410	KHBULSABKKPXOJ-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)C1CC(C)(CC)C1	2036487688	VTRYVXZRQXQKIJ-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)C[C@@H](N)c1c(C)oc2ccccc12	2037097516	KHAPNPZKXKNZQU-CQSZACIVSA-N	245.366	4.567	0	10	BJAE	
CC[C@](N)(CCC(C)=C(C)C)c1cccc(F)c1	2037171764	NSPGZAWCFSLTGB-INIZCTEOSA-N	249.373	4.526	0	10	BJAE	
C[C@@H]1CCC(C)(C)CN1[C@@H]1CCC2(CCCC2)C1	2037675532	NOHCTSYFBQKPNT-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CC(C)CCCCC=C1CNC2(CCCCC2)C1	2037769341	XNPGXPHVUWDJMT-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](CCCCC1(C)CC1)c1ccccc1	2038127927	IUMQYRMWTCMROV-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CCNC[C@@]1(C2CCCCC2)CC12CCCCC2	2039000503	SOVYXLOODGOXDE-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H]2CCC[C@@H](C)CC2)c1	2039377639	VUWNCCJYAZYZNG-IUODEOHRSA-N	244.378	4.703	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1ccc2ccccc2c1	2040723150	GNOPBVMYNLTVFI-MRXNPFEDSA-N	241.378	4.666	0	10	BJAE	
C[C@@H](NC1[C@H]2CCC[C@H]1CC2)C1CCCCCC1	2042049409	FXPVHHPFBBMGFH-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(CNC[C@]2(C)CC=CCC2)CC1	2042070641	WUUAWWCYYTYROD-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@@H]1[C@H]2CCCC[C@H]21	2045312218	XQNJEKMYLUNHEL-LJIGWXMPSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](c1ccoc1)[C@H]1CCCC(C)(C)C1	2045395943	BYRAPEONKBDVDO-DZGCQCFKSA-N	249.398	4.537	0	10	BJAE	
CCCCCC[C@H](NC)c1ccc([C@H]2C[C@@H]2C)o1	2045742714	CRCQLOXBEKDOET-IHRRRGAJSA-N	249.398	4.634	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@@H]2CC23CCCC3)C1	2047024197	SFNFTVZNBSNBPG-AEGPPILISA-N	246.394	4.518	0	10	BJAE	
C[C@@]1([C@H](N)C[C@@H]2CCC=CCCC2)CC=CCC1	2047680597	FBYBXUPVTCDIDB-BRWVUGGUSA-N	247.426	4.587	0	10	BJAE	
C[C@H]1CC(C(=O)C[C@@H]2CCC23CCC3)C[C@H](C)C1	2047936417	PVIDEXROZBVCJZ-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(NC2[C@H]3CCC[C@H]2CC3)CCC1	2049671343	CROLJQMPNASVSZ-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC1(CC(=O)C[C@H]2[C@H]3CCCCC[C@H]32)CCCC1	2049789089	SAMDWZCHRSYCHV-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@@H]2CCC3(CC3)C2)CC1	2049864028	IJMXWFZHFOSTTB-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@@]1(C)C=CCCC1	2050007263	PNVRTSZEDDPBEA-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@H]2CCCCC23CC3)C1	2053354074	CJXLQDQHURGDQQ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@@H]1CCCCC12CC2	2053420921	OAXHAHOEAVJRFP-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)C1(C)CCCCCC1	2053667715	QSVVQCSDCKWVHD-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCC1)C1(C)CCC(C)CC1	2056552622	MSYNFQSLHOEEIU-GMRIPVOYSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](c1ccccc1)C1(C)CCC(C)(C)CC1	2056556963	OLBWNZCDGUOEGM-HNNXBMFYSA-N	245.410	4.554	0	10	BJAE	
CC[C@H]1CCC[C@H](C2CC3(CCC(N)CC3)C2)C1	2056617283	PSUNRXXCTRCUKZ-PENGNTFPSA-N	249.442	4.501	0	10	BJAE	
CC=CCCCC1(N)CC2(CCC(C)(C)CC2)C1	2059204354	VGNAIYWAFZXCHT-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC=C(C[C@H](O)c2ccc(C)cc2)CC1	2061097744	DUWIJNCZXDCIHM-PBHICJAKSA-N	244.378	4.555	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C2=CCC(C)(C)CC2)CC1	2061112463	GJXAHIOVMOQXPK-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
C=C=CCCC1(CNCCC)CCC(CC)CC1	2061562907	JMTPCIHDGZYXPM-UHFFFAOYSA-N	249.442	4.694	0	10	BJAE	
CCCCCN(CC1CC(=C2CCC2)C1)C(C)C	2061680239	VAEKOABCNOLNMJ-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
NCC1(C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCCC1	2063495192	AIGXMLYBZNELIC-PHZGNYQRSA-N	249.442	4.502	0	10	BJAE	
C[C@]1(C(=O)CC2C[C@H]3CCC[C@@H]3C2)CC=CCC1	2063523425	BPVUFZQAIOPZBA-INMHGKMJSA-N	246.394	4.518	0	10	BJAE	
C[C@]1(C(=O)CC23CCC(CC2)CC3)CC=CCC1	2065278216	XGJJJIAZIIIHHP-WIHSUSGWSA-N	246.394	4.662	0	10	BJAE	
C[C@]12CC[C@@H](Nc3cccc(C4CCC4)c3)[C@@H]1C2	2065658648	USHDOIXPQDRADL-GVDBMIGSSA-N	241.378	4.555	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)C[C@H]1CC12CCC2	2069180470	YHZYSQFMPKJCSL-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@@]23CCCC[C@H]2C3)CCC1	2069339591	KXDLLCXCGBAURA-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC1(C(=O)CC2C[C@@H]3CCC[C@H]3C2)CC1	2069509745	TUUIWZGHEMPIGL-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC(C)(CC[C@@H](N)C1(CC2CCC2)CC1)C1CC1	2069585858	XWPXVUYJVJMFLE-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CC(NCC2(CC3CCC3)CC2)C1	2069587316	PAQIDNWEVGCKDH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@@H]2CCCC3(CC3)C2)CC1	2072699977	FHMINXPMHLPKMS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(CC2C[C@@H]3CC[C@H](C2)N3)CC1	2072811631	GFDYRXNBOTWCNT-QLQQRZLESA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC23CC(N)C3)CC1	2072815961	QRMKANUSJMYIIF-AYXGTZKJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](CC23CCC(CC2)CC3)[C@@H]1N	2076395012	GRIZFIJTZGYXKW-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1C[C@@H]2CCC[C@@H]2C1	2077197421	ZKYZZJIYZNNSNZ-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CCC1)C1CCCC1	2077264003	HTNXRKGWMXNVES-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CC(C)CC1(CN[C@@H]2CCC3(CC3)C2)CCCC1	2078334995	PZSNOJTZXJKXEG-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2C[C@@H]2C2CCC2)C1	2079329703	TVTOXKLRYIYAET-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1C[C@H]1C1CCCCCC1	2079426360	ALEACHQSXAAHTB-RGZGLNSBSA-N	249.442	4.667	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1C[C@@H]1C1CCCCCC1	2079426362	ALEACHQSXAAHTB-WHDHWZCOSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)CC1CC2(CCC2)C1	2079842555	ONKRRBFZCSKRMP-ZFWWWQNUSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@@H]1C1CCCCC1)C1CCC1	2079862373	IFXOTISXVILHFT-VBNZEHGJSA-N	248.410	4.598	0	10	BJAE	
CC(=C[C@@H](C)C1CCCCC1)[C@H]1CC[C@H](N)CC1	2082130945	RNGMTWRYWWKEHW-KBRIMQKVSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CNC23CCCCC3)C1	2082978515	HQEZFEUHZFWUAZ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@H]2C[C@H]3C[C@H]3C2)C1	2082982616	MAKOSYMNQCXJAY-TUVASFSCSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc(C(=O)CC2CC(CC)C2)cc1	2085001176	MSBZSAHHIBZVDP-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(=CCC=Cc1ccccc1)c1ccc(N)cc1	2088267298	DNMPFBQQOHVXAT-UHFFFAOYSA-N	249.357	4.776	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)CCCCCCC1CC1	2213577434	BOOQGIHAKQNYGK-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@@H]1CC[C@H]1C)NC	2214971829	NLQMXQHTYYETQY-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@H]1Cn1c(C)cc2cc(Cl)ccc21	2214991517	FSPMDCSXXFUSGA-AAEUAGOBSA-N	247.769	4.649	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC[C@@H]1C[C@H]1C)NCC	2215300897	MGZXOQCXRRBXFP-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CN[C@H]1CCC[C@H](C(C)(C)C)C1	2216255023	BLFVICRYXLABTE-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
NC[C@H]1CCC[C@@H]1CCCCCCCC1CC1	2216891641	HWVLYJMJYFILJH-JKSUJKDBSA-N	237.431	4.502	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CCCC(C)C)C(C)C	2217135566	GPPGRZVXCCOQMA-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@H](CCC(C)(C)C)C(C)(C)C	2217140538	YMIDPFBHLAAMMP-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@H](C[C@H](C)CC(C)C)C(C)C	2217146100	WDEYKCDBTPDLOB-PMPSAXMXSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@H]1CCC(C)(C)C1	2217151920	ZUTIRJHVMCJYOG-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)N1	2218362617	ZPBIIOQSTZUPFV-BIVLZKPYSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)[C@@]1(C)CC=C(C)CC1	2221633836	WBWQCSZCIIPAKL-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2C[C@@H](C)CC[C@H]2C)CC1	2221643330	NBXGKNWZVJUASQ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)c2c(C)cccc2C)CC1	2222008477	GDOHJEJXFLSACC-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CCNC12CCC2	2223131483	ZCFGUIYDEZYVDE-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H](C)C(=O)Cc1ccc(C2CCC2)cc1	2223634564	LYLRFCMWVWEJTK-ZDUSSCGKSA-N	244.378	4.502	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1ccc(C2CCC2)cc1	2223692622	YHAHFVNRKZBSCO-OGHNNQOOSA-N	246.394	4.670	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)c1ccc(C2CCC2)cc1	2223698600	AUWRDAMMKRJMFN-AHIWAGSCSA-N	245.410	4.636	0	10	BJAE	
C[C@@H](CCCC1=CCCCC1)C(F)F	2241442040	WMDHQBMGOVKOHL-JTQLQIEISA-N	202.288	4.558	0	10	BJAE	
CC[C@](O)(CC[C@@H]1CCC[C@H](C)C1)CC1CC1	2246685780	ZFVWFKBXQZJEMF-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H]1CCC12CCC2	2247443792	LCYVWWORVPPJEW-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCCC1CCC(O)(CC2=CCCCC2)CC1	2247468930	RKHLAGVNJNIYOZ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C(F)F)[C@@H](C)CC	2250112403	NZMGJHZKJSELCE-AVGNSLFASA-N	249.389	4.615	0	10	BJAE	
Cc1ccc(-c2ccc(C3CCC3)s2)c(N)c1	2250255731	HSYICCQMEWKKSA-UHFFFAOYSA-N	243.375	4.573	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H]1CCC[C@@H](C)C1)NC	2250353566	WAWRIMGHPHGOPP-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@H](C)CCC(C)C	2250354525	DQGMHQBSMWDKKX-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC[C@H](O)C1	2250482537	VGHSZPMYPSOYQV-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)CCC(F)F	2250518452	SKQDUHOMWZRXIG-GFCCVEGCSA-N	248.357	4.843	0	10	BJAE	
CC(C)(C)c1cccc(CCC2CC=CC2)c1	2251657269	OIWRPGNGUFDSCI-UHFFFAOYSA-N	228.379	4.883	0	10	BJAE	
CC1CC(CC[C@@H](N)C[C@@H](C)CC(C)(C)C)C1	2251758829	GKSKLGXASOQTIA-HXSCFSKGSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)c1ccc2ccsc2c1	2253075312	HQBVNNAMFJERJY-ABAIWWIYSA-N	247.407	4.583	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](N)C[C@H]2CCCCC23CC3)C1	2253812237	YOKULHDGCPOYIC-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CN)CC[C@@H]1CCCCC12CC2	2253838328	IXJSMHBNSRKGCT-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC[C@@]1(CN)CC[C@@H]1CCCCC12CC2	2253853420	LKMZUNXLHFZQPL-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CC[C@@H]2CCC[C@H](C)C2)C1	2253913405	FYAFCPAYQTWUHZ-YVSFHVDLSA-N	249.442	4.667	0	10	BJAE	
CC1CC2(C1)CC(N[C@H]1CCCC(C)(C)CC1)C2	2254156486	CBJQLXUQYHDGGI-WDCUWTOYSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCCC[C@@H]2C[C@H]2C)c1	2254603959	FXALIPXGHKOBMA-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(N)C[C@@H]2CCCC[C@@H]2C1	2254605735	NNCUNCBFASRZLQ-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CNCc1cc(CCC(C)(C)C)cc(C(C)C)c1	2254719711	XMIQOILLTGARAU-UHFFFAOYSA-N	247.426	4.508	0	10	BJAE	
CC1(C)CC[C@H]1C[C@]1(N)CCC2(CCCCC2)C1	2255015849	SUAIEPHUSJWCTI-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@H](CNc2cccc(C(C)(C)C)c2)C1	2257956574	MZCJXBNDNXDNKE-KBPBESRZSA-N	245.410	4.832	0	10	BJAE	
CC1CC2(C1)CC(C[C@@H]1CCCCCCC1=O)C2	2259545944	WWSSJTKERYCWHZ-LETWWHAPSA-N	248.410	4.742	0	10	BJAE	
CC1CC2(C1)CC(CNC1(C)CCCCCC1)C2	2259583472	UMZAREAUULRXDK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CCN[C@@]23CCCC[C@@H]2CC3)CC1	2260546509	ODXABHOPIHDDCU-IAGOWNOFSA-N	249.442	4.659	0	10	BJAE	
CC1(CCNC[C@]23CCCC[C@H]2CC3)CCCC1	2260627786	SICCZSHVUXQPOW-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC1CC(CCC(=O)CC23CCC(CC2)CC3)C1	2261513344	LMOPUHPVTSIMQM-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@H]1CCC2(CC2)C1	2300496885	PBCUJBPBENWMRB-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCNCC1(CCC(CC)CC)CCCCC1	2300675385	DVXDPSYJUAJUKD-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)CC[C@H](O)C1(C)CCCCCC1	2300677688	CDWRZIOEDRVGQB-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@H]1CCCC[C@H]1C	2300681411	ORBFWCQLTKRIJY-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC(=CC[C@@]1(C)CC[C@H](O)C1)CCCC(C)C	2300865336	MFPVYAHJGUOHMN-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC=C(C)CC)CC1	2300869478	JEIZIACDOFSPGV-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](N[C@@H](C)[C@@H](C)C(C)C)C1CCCC1	2301715031	SUTRYWXASQNIHZ-DZKIICNBSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C(=O)CCCC1=CCCCC1	2302312952	MJDLGDCHOZRAQB-LSDHHAIUSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](CN1CC(C)(C)CC1(C)C)CC(C)(C)C	2303709256	CPXVKCMQLCNBEG-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1c1cc(=S)c2ccccc2[nH]1	2304031355	XCRNRFHMTDBUFG-RYUDHWBXSA-N	243.375	4.657	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1CC[C@@H]1CCC(C)(C)C1	2304422335	HIRJYTFLNMBXDQ-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@]2(C)CC2(C)C)C1	2304435050	GLCKFGBKBBKGIL-LRDDRELGSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CNC)CC=C(C)CC1	2307839843	ADWYLANLXPFVOL-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CNC(C)C)C1CCC1	2307928570	MYUHJDKDTXURKJ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2308394346	BCGKUMNRLCUXMU-ZHCJQAHYSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2313628271	FKJOCPPHFGCHAS-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2316503368	PKMFMBNEBHNWCV-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2316883964	FDGGTASDLSLSMT-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@@H](C)CCCC(C)C)cc(C)c1O	2318432772	LFKUCKQWQXNGIE-AWEZNQCLSA-N	249.398	4.636	0	10	BJAE	
CC1(C)CC[C@H](N)[C@@H](CCCC2=CCCCC2)C1	2318541500	UCSLPTPZFKYZHC-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
N[C@@H]1CCCC[C@H]1CC[C@H]1C[C@H]2CCC[C@H](C2)C1	2318801652	WCSNUUNMGXXFCL-BQJWPVKWSA-N	249.442	4.501	0	10	BJAE	
CC=C(CC)[C@H](C[C@H]1CC[C@@H]1C1CC1)NCCC	2319551972	VIPRHPOWZHUYQJ-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1N[C@@H]1CCCCCC12CC2	2320150558	VJTIHPHQUCLQJE-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@@H](CNC2CC(C(C)(C)C)C2)CC1	2320232999	VZBJXJDOQUGDGO-FHERZECASA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H]2CC(C)(C)C2(C)C)CC1	2320237910	PBRMXVGJVCEOBM-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(N)CCC2(CCC2)C1	2320248981	IHNURHLVYWOKFI-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CCCCCC(=O)Cc1cccc(C2CCC2)c1	2320667539	POQOWQIANXCEPX-UHFFFAOYSA-N	244.378	4.646	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CNC3(CCCC3)C2)C1	2321651253	XLPPMNARIHLQED-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)CCc1ccc(C)cc1	2328267496	BJCOAIFLXITRAF-DOTOQJQBSA-N	248.410	4.505	0	10	BJAE	
Cc1scc(Cc2csc(C)c2C)c1C	984471	SYKJRRBMIVILCX-UHFFFAOYSA-N	236.405	4.634	0	10	BJAE	
CCCCCCNc1ccc(C(C)C)cc1	20359223	RGLWUFDZAUHORH-UHFFFAOYSA-N	219.372	4.802	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1ccc(Cl)cc1Cl	20556501	YVYCCKZWSHGOEK-IUCAKERBSA-N	246.181	4.840	0	10	BJAE	
C1CCC(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	34994775	GZBYAYYNVYJPTD-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](NCC)c1cc(C)ccc1C	35546413	SCVIGDSWIBKDLJ-INIZCTEOSA-N	233.399	4.534	0	10	BJAE	
Cc1cc(C)cc(Nc2ccnc3ccccc23)c1	41055544	CKDFBEDCNZCNOA-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
CCCCC[C@@]1(O)CCCC[C@@H]1C(C)(C)C	83502752	SRWBLIFYQSNJIP-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](CC)CCCCCc1ccccc1	83825525	KDQWRVVCNGWDQA-KRWDZBQOSA-N	247.426	4.568	0	10	BJAE	
CCCC[C@@H](NC)C1CCC(C(C)(C)C)CC1	87987420	FRLFPNITESLATA-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCCC[C@@H]1NC	103938871	WYQMVNWWULKDJS-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCCCNc1ccc(OCCCCC)cc1	107793029	JPCMJQFRIGZCQM-UHFFFAOYSA-N	249.398	4.858	0	10	BJAE	
Cc1cc(C)c([C@H](O)CCC2CCCC2)c(C)c1	109786945	IJAZVALPIXCOCV-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc(C(C)C)cc1	112885192	FVPZKZMHRYJLRO-MRXNPFEDSA-N	234.383	4.814	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccc(C)c(Cl)c1	124244612	SZFGDHONHJPMCR-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
CCCCC[C@@H](NC)c1ccc(CC)c(CC)c1	127981652	LWRXUCUJFIKLNX-QGZVFWFLSA-N	247.426	4.652	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1ccccc1C1CCC1	132603540	OIAQMSSSLACOFW-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CCCC(CCC)[C@H](NCC)c1cccs1	132915417	YLFRIAZKPFMVNF-AWEZNQCLSA-N	239.428	4.615	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H](C)c1cccc(C)c1	160158959	HSNJSOITKHCJKG-YSVLISHTSA-N	247.426	4.860	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H]1CC)c1ccc(C)cc1	163901501	ZDGVEAROTPIDLG-HYVNUMGLSA-N	245.410	4.614	0	10	BJAE	
CCCCCC(=O)[C@H](c1ccccc1)[C@H](C)CC	164760045	BYHOCKPDSYPYOE-PBHICJAKSA-N	246.394	4.966	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)c1ccccc1	226160914	KYKCOLWWHLYKFR-OHFALNGGSA-N	245.410	4.552	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)c2cc(C)cc(C)c2)C1	227389823	WKODMODCFVGYHY-ZMSDIMECSA-N	245.410	4.520	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CCCC[C@@H]2C)c1	232229279	QYVBHZXYWVXSPV-AAEUAGOBSA-N	237.774	4.639	0	10	BJAE	
CC(C)(C)CC[C@H]1CNc2ccc(Cl)cc21	232496450	OGYWKYZUDVVSCS-JTQLQIEISA-N	237.774	4.675	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)C(C)(C)C	233157462	QYBBDDKVIJYUII-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)c1c(C)cccc1C	233273482	LCDSQYNGBSYQCH-CZUORRHYSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H]1C[C@@H]1N[C@@H]1CCCC[C@@H]1C1CCCCC1	233915341	GTNJANSAWWCGLC-DZUCGIPZSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1NC1CCCCCCC1	235287402	TVBHIKQIEIYMLQ-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CCCC(C)(C)C)C1	302256368	DCDOHJGOIMLAQI-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CSc1cc2c(Cl)ccc(C)c2s1	306849234	MYOIGSLFUDVFDB-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CSc1cc2sc(S)cc2cc1Cl	306901723	HAOMLLLZFNZXCM-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
C[C@@H]1c2ccccc2CP1C(C)(C)C	306914408	UZIJXLWPEJHULM-IAPIXIRKSA-N	206.269	4.542	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](C[C@@H](C)CC(C)C)NC	308059806	GFOADXSZHRTBNH-XHSDSOJGSA-N	241.463	4.719	0	10	BJAE	
CC1(CC(=O)c2coc3ccccc23)CCCC1	311090417	YPYVNGUMTWNNSF-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CNCC1(CCC(C)(C)C)CCCCCCC1	317414090	NPSSAQJRSBGMFI-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC(C)C)CCC[C@@H]1C	317845577	SCUAUSMYVYEZMZ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC[C@@H](C)[C@@H](C)CC)c1ccccc1	319870427	HTMFTMDGWLUGHM-ZMSDIMECSA-N	247.426	4.800	0	10	BJAE	
CCN[C@H](CC)[C@H](C)C[C@H](C)C1CCCCC1	380066922	ZEJZZOXJVQKPJA-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1nc([C@@H]2CC3CCC2CC3)cs1	382134478	MZLKGYFDEBIURQ-HTAVTVPLSA-N	249.423	4.734	0	10	BJAE	
CC(C)C(C(=O)C[C@@H]1CCC[C@@H](C)C1)C(C)C	383545494	VQQKZYCWLBYUGM-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](C(=O)CCC1=CCCCC1)c1ccccc1	385630102	BDTJVZLRAVDTEG-CQSZACIVSA-N	242.362	4.640	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)c1ccccc1C(C)C	387830167	OCWQJRMCRAMUMA-CZUORRHYSA-N	244.378	4.675	0	10	BJAE	
CC(C)NCCC(C)(C)C[C@H]1CCC[C@@H](C)C1	393850380	WBOUNQYGVPEXIW-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C1CCCC(CCNCC2CCCCC2)CC1	394596080	YLFVHFMYCXEOJB-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCCC12CCC2	394767057	QUZWEZPTGZPOMR-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
CCc1csc2c(C(F)(F)F)c(C)ccc12	396311938	XNRUGNRIFMQFCE-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H](C)C(C)(C)C	399087871	AJXWRZZHTZYVSN-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCCC1=CCCC1)c1ccccc1	400395365	NZTUEHRWXIFUCZ-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
CC(C)(C)c1ccccc1[C@@H](O)CC1=CCCC1	400535337	WSZJLSOTLMTOBO-INIZCTEOSA-N	244.378	4.518	0	10	BJAE	
Cc1ccc(CC2=CCCC2)c2ccccc12	401150806	KKTJSSUOGAYDOB-UHFFFAOYSA-N	222.331	4.801	0	10	BJAE	
CCCCC[C@@H](CCC(C)(C)C1CC1)NCC	405778760	BWAHFWIDLJLUAB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
FC(F)c1cc(C(F)(F)F)cc2ccccc12	514254867	WZFHVELBLDYWPA-UHFFFAOYSA-N	246.178	4.796	0	10	BJAE	
CCc1ccc(CC)c2c(Cl)c(C)c(C)nc12	689618318	FZAPLQPWUIBUMI-UHFFFAOYSA-N	247.769	4.630	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccc(C2CC2)cc1	690087252	FIUYWDGTMLAWME-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
CCc1cc(N[C@H]2CCC[C@H](C)CC2)ccc1F	690102763	PWWMTYFFCCCASZ-JSGCOSHPSA-N	249.373	4.769	0	10	BJAE	
CCCC(CCC)NCCCC1CCCCC1	694060273	USLCEIYLFGQBCQ-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CCCC2(CC2)C1	695761976	VNJSTEHJGQFCHH-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)CCC(C)(C)C)C1(C)C	699053767	SWIGKMUZDFZRDR-MLGOLLRUSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@@]1(C)CC1(C)C	702167872	XXAXLMVANCWYKY-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(N)CCC(C)(C)C	704460344	NVINCIPUFJOBTL-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)c1cccs1	704902210	LTSOOAAFTJWIQD-AWEZNQCLSA-N	239.428	4.529	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@@H]1CCCC[C@H]1C	704931410	BQELPEZCJAHRMM-ZWNOBZJWSA-N	238.758	4.606	0	10	BJAE	
CCCc1ccccc1O[C@H]1CCCC[C@@H]1C	704931549	FTKJLHUZPASIPA-ZFWWWQNUSA-N	232.367	4.597	0	10	BJAE	
CCCC(CCC)N[C@H](C)[C@]12CCCC[C@@H]1C2	708874528	JFDILHSQKAQAPU-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
C[C@H](Cn1ccc2cc(F)ccc21)CC(C)(C)C	709177951	PEXQJNBPXLIJRP-LBPRGKRZSA-N	247.357	4.853	0	10	BJAE	
CN[C@H](c1cccc(C(C)(C)C)c1)[C@@H](C)C(C)C	709478833	AUPVNGDNQAHZOY-BBRMVZONSA-N	247.426	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C1CCC2(CC1)CC2	709969751	FAPFLKUISPTMPW-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@](O)(CC)Cc1ccccc1	711245558	LHVLTQHLPHXSTM-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCCC12CCCCC2	713129077	JBUNRBPINRTQGB-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCNC[C@]1(CC(C)(C)CC)CCCC[C@@H]1C	713334543	GIHBPOZWMYAZBE-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@]12CCC[C@@H]1C2	718539760	LWRZJRWIRHEUJH-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCNc1cc(Cl)ccc1C	718621631	FXVSNIFYWZINKO-UHFFFAOYSA-N	237.774	4.807	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1ccsc1Cl	718699612	LJCLVWCMCCVUSZ-NSHDSACASA-N	244.787	4.571	0	10	BJAE	
C[C@H](N[C@@H]1CCCCCC1(C)C)c1ccccc1	719255225	RIDBDDJWGJZFTI-GOEBONIOSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@@H](NCC)c1c(C)sc(C)c1C	722497543	AJCQKAHBHYKZFH-CYBMUJFWSA-N	239.428	4.514	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](NC)c1ccc(C(C)C)cc1	723059123	WDJYMHMJYXSJRE-COXVUDFISA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1csc2ccccc12	723129776	WYYCXFIQXQVEOY-GHMZBOCLSA-N	244.359	4.520	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)[C@@]12CCC[C@H]1C2	822068957	OMNWRJVDVVXGGG-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(NCc2csc(C)c2C)c1	1177374548	KEQWUGFGKVTQPL-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CC[C@H](C)CS[C@@H](C)c1c(F)cccc1F	1613626926	DDVHYOMTZXJCRY-UWVGGRQHSA-N	244.350	4.805	0	10	BJAE	
c1ccc(CCCCSCCCC2CC2)cc1	1651930772	VJMKBFUITQQJAD-UHFFFAOYSA-N	248.435	4.933	0	10	BJAE	
C1CCCC(CN2CCCC[C@H]2C2CCC2)CC1	1654962531	YVZCBFAQQUIOKU-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
Cc1ccccc1SC[C@H]1CCC[C@H](C)C1	1656234213	FCBICIXOJVOBAQ-JSGCOSHPSA-N	234.408	4.913	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@@H](C)CC(C)C	1900595366	XSNPOQREWOWLCU-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
CCC(CC)CC[C@H]1CCC(C)(C)C(=O)C1	1900692299	BQKHACVAXHUYRY-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC[C@](C)(CCC(CC)CC)CNCC	1900692859	IGFQNHPSTDGHBK-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)CCC(C)(C)C	1905364647	ZPASSPQXUNEWRI-UKRRQHHQSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1cc(C)sc1C	1905399651	YCCDUQZRPVOJLA-GXTWGEPZSA-N	240.412	4.615	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2CCC[C@H]2C)CC1	1907610607	BDOPGFKIFWZWRQ-IQXANGCESA-N	236.399	4.598	0	10	BJAE	
CC1(CN[C@@H]2CCC3(CCCCC3)C2)CCCC1	1915872698	TZADYROSTAQUPS-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@@](O)(CC)c1cccc2ccccc12	1919474750	ADTZIZGJKWPCSG-KRWDZBQOSA-N	242.362	4.628	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1CCC[C@@H]1C	1920195899	FKEOVTHCNUMRSM-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)c1ccc(OCC[C@H]2CC2(C)C)cc1	1921468432	DUJVYSISYRUCQY-AWEZNQCLSA-N	246.394	4.799	0	10	BJAE	
C[C@H](c1nc2c([nH]1)[C@H](C)CCC2)C1CCCCC1	1924110463	XUDLKAKCKBDRTI-NEPJUHHUSA-N	246.398	4.533	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H](C)C1CCCC1	1924122001	OQOWQKZDOCSHIP-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@@H](C)C1CCCC1	1924126433	QQECJSOOQCOJCT-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@@H](C[C@@H]2C=CCCCC2)NC)CCCC1	1925909222	BSVSRTBVIVUJPO-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1csc(Cl)c1	1928725744	YVCPBLGXMCRFLN-SKDRFNHKSA-N	246.803	4.507	0	10	BJAE	
CCC1CCC(C[C@@H]2C=CCCC2)CC1	1932605446	WGCFQGIFVGVHKO-SHARSMKWSA-N	206.373	4.949	0	10	BJAE	
Clc1cc(C[C@@H]2C=CCCCC2)cs1	1933565726	MXHIEBDQRIHRHZ-SNVBAGLBSA-N	226.772	4.690	0	10	BJAE	
CCC[C@H](CCCC1(C)CCCCC1)NC	1935625910	RTQFXYGHIMIFBX-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CCCC1CCC1	1936347388	DMTYXDAIVAHUBK-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)CC1CCC(C)(C)CC1	1941252742	QVNGLCXVRZKRKC-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@]12CCCC[C@H]1CCC2	1944138862	CUSAIBWZXIEWRO-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C=C(C)C)C(C)(C)C1CCCC1	1944640223	DNSWXKKUQKVAMJ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944790169	MEKYNWKOQVTFRS-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@@H]1CCC[C@@H]1C	1944844945	CZTPRDHQSZAIJD-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H]1CCC[C@H]1C)NC	1944845876	LCACCCKYFUUCRM-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C=C1CCNC[C@@H]1CCC)CC	1944853177	ORMAGNWXRVLWRK-ZBFHGGJFSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@@H]1C(C)C	1947528159	YAZBFKLZLGPOPO-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CC(C)CCCCC[C@@]1(CN)CC12CCCC2	1948075218	ZZNNUXIIDJNOGI-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)CCCC1(C)CC1	1949054518	MKTBEHYNKPUFBB-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CC2CCCCCC2)C1	1949499074	ZJUANQQLHQNKTG-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
C[C@]1(CCC2=CCCC2)CCCC1(F)F	1960756263	FZPJCDNABLBDQU-GFCCVEGCSA-N	214.299	4.702	0	10	BJAE	
C1=C[C@H](C[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	1960870896	AOYVWHVXKOTLMM-BYNSBNAKSA-N	204.357	4.559	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc2cnccc2c1	1963223400	WEEIWLNLIFFGIE-CYBMUJFWSA-N	242.366	4.616	0	10	BJAE	
CCN(CC1CCC(C)CC1)c1ccccc1C	1963272251	HVENJEAQXPAOBS-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CCN(C[C@H]1CCC(C)(C)C1)c1ccccc1C	1963273033	WSDGHUXHGCUQIL-HNNXBMFYSA-N	245.410	4.648	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1968360956	BLFZJCDAAVSUQK-AGGWBTHJSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H](N[C@H]1CC[C@H]2CC[C@H]1C2)C1CCCCC1	1969166158	AWBUBRIKUSKHTL-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(CNc2ccc(C3(C)CC3)cc2)C1	1973403388	IOTKHNRCAOTAHK-UHFFFAOYSA-N	243.394	4.586	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(O)C1(C)CCCCC1	1975570332	GOGNSHQMMFDBIZ-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@](O)(CC)[C@@H](C)CCC(C)C	1990089336	FOQNJQCLGKGDCK-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
CCCCCc1ccc(C(=O)C(C)(C)C)s1	1991779266	ZKTYSSNBMMHMSJ-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CC(C)=CCC(=O)CCC(C(C)C)C(C)C	1993588043	PYKZUYZWLGQZPS-UHFFFAOYSA-N	224.388	4.620	0	10	BJAE	
Fc1c(Cl)cccc1CC1CC(=C2CC2)C1	1994335951	BXRGACJHBUMELP-UHFFFAOYSA-N	236.717	4.522	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H](C)C1(C)CCCCC1	1995987211	SAYPESAWHHDSBB-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCC[C@](O)(C[C@H]1CC[C@H](C)C1)C1CCCC1	1996269523	LLIYJGLDXMQBJQ-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCSc1ccccc1N[C@@H]1C[C@H](C)[C@@H]1C	1996576411	ZHARYWZDWKYWRO-SGMGOOAPSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@]1(C)CCCC1(C)C	1997339926	BYUXQOWTNLWSNT-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](C)NC1[C@H]2CCC[C@H]1CC2	1997574082	XEPAJSGMVRJGJX-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)C[C@@H](C)CC(C)(C)C	1998741669	KBWJXMHVCCACJV-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCCN(C[C@H]1CCC=CCCC1)C(C)(C)C	1999984938	DMQYTIVTYWWOIC-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
Cc1ccc(N)cc1S[C@H]1CCCC(C)(C)C1	2000049236	WPNBHKYISUBNFQ-ZDUSSCGKSA-N	249.423	4.638	0	10	BJAE	
CC=CC[C@@](CC)(CCCC)CNCC(C)C	2000506251	ZYTXQUMZEBOLLO-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCCC(F)(F)C1	2003211782	QRAUYTMUJYCWDG-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCC1(CC)CCC(O)([C@H]2CCC[C@@H]2C)CC1	2006775608	WAPPBEFFFSPUTD-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CCC(C)(C)CC)[C@H]1C	2006981729	QZXSWSHNYVGDGP-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H]1CCC[C@@H]1C(C)C	2007621755	GKLOKCFPBBEZGP-RRFJBIMHSA-N	238.415	4.700	0	10	BJAE	
CN[C@@H](CC=C(C)C)C1(C)CCC(C)(C)CC1	2007694258	HAMKMEGQUSUZPG-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC1CC(C[C@H]2CCCCCCC[C@@H]2O)C1	2007811246	YGTDHWYSDKZTQD-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
C/C=C/C[C@@]1(CNCCC)CCC[C@@H](CC)C1	2008058533	AIYALHXJJRZPCQ-KEMBLGFASA-N	237.431	4.539	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H]2CCCCCC2=O)CC1	2010783144	SBBNUZFRTLTTFV-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C1(C)CCCCCC1	2011575211	GKQOHMQIOHAJGX-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](CC2CCC=CCC2)C1	2012084798	RNVXMKMJEOLDDE-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H](C)[C@H]1CCC1(C)C	2014905117	VCLLCCHGOFYFAQ-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CC(C)C(Cn1ccc2ccccc21)C(C)C	2015379195	NQSVXKSVPJYPPY-UHFFFAOYSA-N	229.367	4.570	0	10	BJAE	
CC(C)C(CCC(=O)[C@@H]1CC[C@@H](C)C1)C(C)C	2015390320	KDOVLCDEOMOAFN-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@](CC)(CNCC)C[C@H](C)C(C)C	2015400852	REWDOLZPFOAQKO-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCCC1(C[C@@H]2C(=O)C[C@H](C)C[C@@H]2C)CCC1	2015594659	IRSRSXPLDCBIKY-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@]2(CN)CCCC[C@H]2C)CCC1	2015643962	IFMCMZPCGMUUTJ-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1CCC(C)(C)C1	2016148820	DASNXOWLHARMNE-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C)c(OCC2(C(C)C)CCC2)c1	2017124543	HBFUEEPKOLAYBU-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CC1(N)CCC(CC2(C(C)(C)C)CCC2)CC1	2017139865	ADQKNMCAFVGBGU-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@H](N)CC1(C(C)(C)C)CCC1	2017140178	DLZMRGZDICLFOJ-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(C)C[C@]1(CN)CCCC(C)(C)CC1	2017465298	FVTVYOOJPIEYQN-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CCCC1CCC(C[C@](O)(CC)CCC)CC1	2017650585	IRWNECJBXLSMSY-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](C)[C@H](C)CC1CCC(CC)CC1	2017721742	LFYKEILZIUSWNY-WXLSXGNJSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](N)(CC)C1=CCCCCCC1	2018134579	PZOZYDYMFAIJIG-MRXNPFEDSA-N	237.431	4.955	0	10	BJAE	
C[C@@H]1CCCCCCN1CCC1=CCCCC1	2019340904	UDXOHOIJMDMOPC-OAHLLOKOSA-N	235.415	4.532	0	10	BJAE	
CCCCC1CC(O)(CCC2=CCCCC2)C1	2019770799	HCCGJWAEGXGUEC-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@@H]1C[C@@H]1CCC	2022484542	OXBMPAUJEQDHNH-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CC(=O)CCC2=CCCCC2)C1	2025433505	RDUDLUPMKPYQOK-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](N(C)CCCC(C)(C)C)C1	2025615102	RSSURJHZCVZGHX-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@H](CC1(C)CCCCC1)c1ccco1	2027302668	WWOZBWNIVDJOKS-CQSZACIVSA-N	249.398	4.681	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@@H]1CCCC12CC2	2027317141	QGFHTZMXKOZFCU-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1CNC(C)(C)C(C)(C)C	2027463935	VDXZLSHIRLQQFB-UHFFFAOYSA-N	247.426	4.724	0	10	BJAE	
CN[C@H](c1cccc(C2CC2)c1)[C@@H](C)C(C)(C)C	2028557589	OSRLBYZTWQVQMW-WBMJQRKESA-N	245.410	4.507	0	10	BJAE	
C[C@@H](C[C@@H](O)C=Cc1ccccc1)CC(C)(C)C	2028586730	VMQWLSUMPFHXQN-HOCLYGCPSA-N	246.394	4.523	0	10	BJAE	
CC(C)NC[C@@H]1CCC[C@@H]1CC1CCC=CCC1	2028875216	FTUSPQVNYONSPL-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@@]23CCCC[C@@H]2CCC3)C1	2031852833	SIAXCDIYPKNGDX-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
C1CCC(CCN[C@@H]2CCCC3(CCCC3)C2)C1	2034365077	UBLMBBUMXRFNQZ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CCC[C@H](F)C2)cc1	2034890842	IOZBRKMUWXYAPU-GJZGRUSLSA-N	248.341	4.521	0	10	BJAE	
C[C@H]1CC(CC(=O)[C@@H]2CC23CCCC3)C[C@H](C)C1	2036098871	BCAIPXZFQXJQBJ-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CC[C@H]1C[C@H]1C1CC1)C1CCCCCCC1	2037127707	CPKXGDYDODCXCD-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@]2(CNC(C)(C)C)C=CCCC2)C1	2037685082	DMHIMTJWHMRDRW-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC[C@H]1CC2CCC1CC2)CC1CCCC1	2038109815	JBUKFFAUHZJLNO-SJJHQCBESA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C(=O)[C@H]2CC23CCCCC3)C[C@H](C)C1	2039011094	DTPVHZZXIHXNKC-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C1CC2(C1)CC1(CCC1)C2	2039425024	YJEAOQKUEHWVLF-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@H]1C(C)=CCC[C@H]1C	2039433392	BMEWHPVTJBQBRK-NRKLIOEPSA-N	249.442	4.523	0	10	BJAE	
C[C@H](N[C@@H]1CC12CCCC2)C1CCC(C)(C)CC1	2040638157	IXPVALDMVWADBI-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](N)(CC1=CCCC1)C1CCC(C)(C)CC1	2040647282	LHMFATLDGDCPGN-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1cccc(CC(C)C)c1	2040724124	RZVIRFMEALGKQM-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H]2CCCC3(CC3)C2)CC1	2041378057	ABVLRBIIPBRORJ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)[C@H]1CC=CCC1	2042019984	SVICMHNERMZLBF-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@H](C)NC[C@]2(C)CC=CCC2)CC1	2042068233	UDIGLQJVRXDFNL-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(CCNC2(C3CC3)CCCC2)CC1	2042947020	NILZUSVZEWUOCH-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C1=CCC[C@@H](CN2C3CCCC2CCC3)CCC1	2045304590	HBSZYUWOMSWSSM-KLAILNCOSA-N	247.426	4.530	0	10	BJAE	
CC(=C[C@H]1CCC=CCCC1)C1CCC(N)CC1	2045316485	DYZQPVCRTURUEK-GTPINHCMSA-N	247.426	4.587	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NC[C@H]1CCC=CCCC1	2045320574	NWCYKAHFVSGZEK-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)C1(CCC)CCC1	2045814430	ZMVCAJUDHSYQAG-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C[C@@H]1CC=CCC1	2045818461	NINFBNBAZCCKJB-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCC1(CNC2CC3(CCCCCC3)C2)CC1	2046230179	NVBPDAJPFLAEKS-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@H]1CC12CCCC2	2047013019	SIRVCNRGFZOXAC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@H]2CCC[C@@H](C)C2)cc1	2049538520	ZLLBMKPQJYCHAY-FMKPAKJESA-N	245.410	4.876	0	10	BJAE	
CCCc1cccc([C@H](N)CC2(C)CCCC2)c1	2049804704	PSYLAGUPQIGFRG-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H](C)C1)[C@]1(C)C=CCC1	2050007036	PDZAJBWHFZGIQR-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)CC[C@@H](NCC)c1cccc(C)c1	2050456533	RNDGQBCOQJGDCM-WMLDXEAASA-N	247.426	4.862	0	10	BJAE	
CC[C@@]1(C)CCCN(C[C@@H]2CCC=CCCC2)C1	2051392838	KDLWVNGQBDIQDG-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1ccc(C)cc1F	2051405118	DLUQAWWIOKRQNK-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CC[C@@H]3CC[C@@H]32)CC1	2051588373	GLNKSPLRGOSMEF-CWRNSKLLSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NC[C@]12CCCC[C@@H]1CCC2)C1(C)CCC1	2052350071	WHSZAMBJAGGNKE-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@H]1C=CCCC1(C)C	2055523481	ANGBJZKGSBSEPS-ILXRZTDVSA-N	249.442	4.536	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@H](N)CC1CCC=CCC1	2056449709	JLRKQNAAIUKVDO-YESZJQIVSA-N	249.442	4.523	0	10	BJAE	
CCC(C)(C)C1CCC(N)(C=C2CCCC2)CC1	2056913466	JNODPEPSQVODEP-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)[C@]1(C)CC1(C)C	2061081439	ONZRAZBABNVRBD-UNEWFSDZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)C2=CCC(C)(C)CC2)C1	2061114634	AFUYKVNHSOWCNK-BPUTZDHNSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C(C2(N)CCCCCCC2)CC1	2061121793	JOSJNGYNEBCLDN-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C1CC(=C2CC2)C1	2061648123	VGMXEEZOAPZVKB-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CC2)C1)[C@@H](C)CC(C)C	2061729232	UHFBWJZJQLCINE-GUYCJALGSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C2CC3(C2)CC(C)(C)C3)C1	2063798622	OEAWYWCQDJRODW-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC23CCC(CC2)CC3)C[C@H]1N	2065339342	LJEOPGLWNHQCET-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)[C@H]1CCC1(C)C	2068284848	AMQXOWNLORUUEF-DZGCQCFKSA-N	245.410	4.794	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C1(CC2CC2)CCC1	2069511552	QKFBOHXBCIJFDT-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)C1(CC2CC2)CC1	2069511776	UJUAUYUBRRMGFL-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(NCC2(CC3CCC3)CC2)CC1	2069580616	LAHCSAGFISSXFT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1(CC2CCC2)CC1	2069581994	WYSIRNYWJXNWAA-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC1(CC2CCC2)CC1	2069585069	MFILSHZAMOPWAD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@]23CCC[C@H]2C3)cc1	2070917068	IBZJCHHCDUXYKO-JLJPHGGASA-N	244.378	4.769	0	10	BJAE	
C[C@@H]1CCC[C@H]1N1CCC[C@H]1C1CCCCCC1	2071968701	JKBVBCYMGKMRQL-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@@H]2CCCCC23CCC3)CC1	2072658790	KDTJOGIFCJNHRB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@]23CCCC[C@@H]2C3)CC1	2074115334	XDYVLQOEGCQICX-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H](C[C@H]2CCC23CCC3)NC)CC1	2074648061	FADKCARKXAHZHC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCCN1[C@@H]1CCC12CCCCC2	2075015614	JRRGKVCKICJGLY-OAHLLOKOSA-N	249.442	4.754	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H]2CCC3(CCCC3)C2)C1=O	2076440871	VPFUWSQORUXZSP-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H]2C[C@@H]2C2CC2)cc1	2079253874	AYWJNBRPYKTBIU-XGWLTEMNSA-N	243.394	4.658	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1C[C@H]1C1CCCC1	2079433747	BQMYOCCODOUNIW-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1C[C@@H]1CN(CC(C)C)c1ccccc1	2079891820	WEJGOYMBQPWWPK-JKSUJKDBSA-N	245.410	4.585	0	10	BJAE	
Cc1cc(F)cc(-c2cc(Cl)cs2)c1	2080281287	PLMYXTTUHSOALS-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
C1CCCCC[C@H]2C(CNC3CC3)[C@@H]2CCCC1	2083337055	AKGQSEXKNHSTKV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](CC)Oc1ccc(C(C)=O)cc1	2086294821	GTSSMMBSEJYWSS-HNNXBMFYSA-N	248.366	4.627	0	10	BJAE	
CCCC(CCC)[C@H](O)c1scc(C)c1C	2210568059	RLXSHKUEMPQGPL-ZDUSSCGKSA-N	240.412	4.615	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1scc(C)c1C	2210572226	NHRROWKUNAMJEX-LBPRGKRZSA-N	239.428	4.581	0	10	BJAE	
CC1(C)NCC[C@@H]1CCCCCCCC1CC1	2213576843	VIQQQIWERYRNQJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC([C@H](N)CCCCC2CC2)CC1	2214584514	RNRFNPDMTHMHJS-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)[C@@H]1CCCC(C)(C)CC1	2215107184	YXNLVILEIBKSSD-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCCNC1(C)CC2(CCC2)C1	2215351445	PBIROWAGORAVJI-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](c1ccsc1)[C@]1(C)CC=C(C)CC1	2215816890	KJCQSNOEFOHGSD-LSDHHAIUSA-N	249.423	4.535	0	10	BJAE	
CC[C@H](C)NC[C@@]1([C@@H](C)CC)CC=C(C)CC1	2217126811	CBDIBKJXRRREPP-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](N)(C[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CC1	2218356006	ILUSFJQDPKXBPV-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@](N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218357261	QDVMTHBQTUEONN-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
CCc1ccc([C@H](N)CCCCCCC2CC2)o1	2218717316	CCRMAGCXMPMKBC-OAHLLOKOSA-N	249.398	4.592	0	10	BJAE	
CCCC1CCC(C=C2C[C@H](C)CN[C@@H]2C)CC1	2220374085	CHXZZALLABCTGT-QRNKSROTSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CC(NCC2(C)CC3(CCC3)C2)C1	2220938700	DELQDDQMQNSOEL-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C2(C)CC3(CCC3)C2)C1	2221003382	MQHREAZGAVOHMV-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1CC(C)C1)[C@@]1(C)CC=C(C)CC1	2221632807	RNXIIBNJBFJDEN-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CN(CCCCCCCC1CC1)C[C@H]1C=CCC1	2223115405	XRWULXAZVFPJHF-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@@H](C)c1ccc(C)cc1	2223963639	KPJYUVAJIJXXLD-YQQAZPJKSA-N	247.426	4.513	0	10	BJAE	
CC[C@H](C)CC(=O)CCCCC[C@@H]1C[C@H]1C	2243877942	SCEMRXBOLHIFTI-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CC(C)CC(=O)CCCCCC[C@H]1C[C@H]1C	2243923142	URVSEFBAUVICKU-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)C(C)(C)C	2244838348	UVAASPCKOBQXRJ-AWEZNQCLSA-N	227.436	4.569	0	10	BJAE	
CCC(CC)NCC[C@H](C)CCCC(C)C	2244866341	FLBBCGZDDZSEJT-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC1CCC(O)(CC[C@@H]2CCC[C@@H](C)C2)CC1	2246691148	GYPWAJFHBZOZOM-FYRZTWFESA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c(OCCCC[C@H]2C[C@H]2C)c1	2247121589	QUBCHQCGNUEHPO-CABCVRRESA-N	232.367	4.509	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CCCC[C@H]1C[C@H]1C	2247175103	YRDPLFLYVOSNHA-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
CCN(CC[C@@H](C)CCCC(C)C)C1CCC1	2250468800	HWIZFUUXIGBARL-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](O)CC(C)(C)F	2250479808	YTEKZXFNTRFQKZ-KGLIPLIRSA-N	246.410	4.728	0	10	BJAE	
CC1=CCC[C@@]1(O)CC[C@H](C)CCCC(C)C	2250496058	OGCMBSGPCYHFLG-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@]12CCCC[C@@H]1CC2	2251225128	VUJCZYHEBJCSJU-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)c1ccccc1F	2254535963	POYILNONERPKKQ-QWHCGFSZSA-N	248.341	4.615	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@]1(CN)CCCCC12CC2	2254585221	MUXWMHJWSOOSAD-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
C[C@H](Nc1ccc(C2CC2)cc1)[C@@H]1CC12CCC2	2256446856	YLQHXAZUMQXUHI-LRDDRELGSA-N	241.378	4.555	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@]12CCC[C@@H]1CC2	2298726645	IJGSOWXXVABLKT-PMPSAXMXSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC(=N)C(C)(C)C	2300460460	UNHHTORRRXQXOT-UHFFFAOYSA-N	232.371	4.554	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H](CC(C)C)C(C)C	2300676540	PUFNXIIOLWOPRE-HZPDHXFCSA-N	241.463	4.848	0	10	BJAE	
CC1(C)C[C@@](N)(CC2CCCCCC2)C1(C)C	2301141008	UPLSGSPQHASOQJ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@](O)(CC2CCCCCC2)C1	2301208432	SOOWGXUDHKGWFI-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC)c1ccc(C(CC)CC)cc1	2302242886	VGURGAJGWHBHCS-MRXNPFEDSA-N	233.399	4.651	0	10	BJAE	
C[C@@H]1CC[C@@H](CCC2(C)CCCCC2)N[C@@H]1C	2302685813	SESZINZVXXLTPV-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1CC[C@@H]1C(C)(C)C	2303505151	DGFQEMDDVRAFOY-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303506553	SWQSECMNHBZBTG-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)C[C@@H]1CC[C@H]1C(C)(C)C	2303507760	GWWIEBDULMPCDC-ZENOOKHLSA-N	240.431	4.636	0	10	BJAE	
CCCC(C)(C)c1nc([C@@H]2CC23CCC3)cs1	2304498464	MJPWPMRPSOBDND-NSHDSACASA-N	249.423	4.878	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@H]2SC)cc1	2307626731	QXDWGTMDHFAKLV-NILFDRSVSA-N	249.423	4.506	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@H]1CCC(C)(C)C1	2307826293	KYMRCDKTQYPATF-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1C[C@H](C)C[C@@H](C)C1	2307833819	DYXSPSKTVYUCMB-NYTXWWLZSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)CC(N)(CC(C)C)CC(C)C	2307904669	VTWQKPBUFABPJN-OAHLLOKOSA-N	241.463	4.993	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)[C@]12CCCC[C@@H]1CCC2	2310428767	SPPZXXSUSXGJML-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](N)(C[C@@]23CCC[C@@H]2C3)C1	2310895623	XOMAVIMIVZRVIU-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCCCN(C1CCCCC1)[C@H]1CC[C@@H]2C[C@@H]2C1	2311293898	JJUMOQXQGVWFLN-INMHGKMJSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCC1	2311609297	UAKFQYQOMOFREV-YHUYYLMFSA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1C[C@H]2CC[C@@H]1C2	2313198174	GBMHUSNCQUZGFG-JJXSEGSLSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCCC1CC1)C[C@@]12CCCC[C@@H]1CC2	2313329164	JVBROVSRWFFSJK-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCC1=CC[C@@H](CC=C(C)CCCC(C)C)[C@H]1N	2316535581	ICSOINAITWGHML-SJORKVTESA-N	249.442	4.833	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316692442	GYAUSADZZQENCX-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2	2316886240	QEGYADRVYVIFQU-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317159867	XRFOCSJHBUEWPV-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317213601	IGGNOIWUSJJMMA-FPCVCCKLSA-N	248.410	4.620	0	10	BJAE	
CCC[C@H](C)C(=O)CC(C)(C)Cc1ccccc1	2317285848	TUAZFHNVCVAXOZ-AWEZNQCLSA-N	246.394	4.651	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@H]1CCC[C@H]1C	2317964631	WEVRAFBPOOUFBL-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
O=C(CCCCC1CC1)C[C@@]12CCCC[C@@H]1CC2	2318870369	HVIGVFLQAFMJRY-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)CC1=CCCC1	2318944436	QDDLYYGDYOPNKD-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCc3cc(N)ccc32)C1	2319136102	RVXBIFPQPVSFFB-OLZOCXBDSA-N	243.394	4.515	0	10	BJAE	
CC1=C(C)C[C@](N)(CCCCC[C@H]2C[C@@H]2C)CC1	2320400751	BRHABBURYYPHIK-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](C)c1cccc(C2CC(C)(C)C2)c1	2321018112	DROPMVWOEINEKO-CYBMUJFWSA-N	245.410	4.651	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](CC)[C@H]2CC2(C)C)c1	2321089372	MJRWZOTZNGTCIR-CABCVRRESA-N	249.373	4.625	0	10	BJAE	
CN[C@H](CC[C@H]1CCC(C)(C)C1)[C@H]1CC=CCC1	2321631174	NOQUZSLDFFOSSJ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
COc1cccc(Nc2ccc3ccccc3c2)c1	1509741	YUIMIADZPYKAEK-UHFFFAOYSA-N	249.313	4.592	0	10	BJAE	
CCCC1CCC(NCCC2=CCCCC2)CC1	20016573	JBHCOIIFHUSRCD-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1C)C1CCCCC1	35542808	XOEOHGHNIMYEIS-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCC(CCC)N[C@@H](c1ccccc1)C1CC1	37075202	WTLPGFAZGTWJFC-KRWDZBQOSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cccc(F)c2C)C1	71120866	ZXSYWLSHLWEAGI-CHWSQXEVSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC)CNC(C)C	71127255	IEOVTMXYPCTOTH-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccc(C(C)(C)C)cc2)C1	80425992	PMXCTCXJZJHXHV-IUODEOHRSA-N	231.383	4.585	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](CCC)CC[C@@H]1N	82434152	USTGWWZAZQNSFS-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CCCc1ccc(N[C@H]2C[C@@H](C)CC[C@@H]2C)cc1	85086625	DGXWXNQUURMRTA-ZQIUZPCESA-N	245.410	4.876	0	10	BJAE	
CC1(C)CCCC[C@@H]1Nc1cccc(Cl)c1	86842491	QGLPLCDLYFUAIH-ZDUSSCGKSA-N	237.774	4.721	0	10	BJAE	
Cc1ccc([C@@H](N)C2CCC(C)(C)CC2)c(C)c1	87941810	YYLLGWAGKYDNHL-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@@H](CCC)c1cc2cccc(C)c2o1	88073826	BEMYOPCVFPFYAJ-AWEZNQCLSA-N	245.366	4.582	0	10	BJAE	
CCCCC1CCC(CO)(C[C@@H](C)CC)CC1	97148737	JORHKXGHZWQUBH-FHERZECASA-N	240.431	4.782	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@@H](C)C1	103993842	WCVWCPONKAIHOX-IUODEOHRSA-N	231.383	4.548	0	10	BJAE	
O=C1CCCCc2ccc(C3CCCCC3)cc21	104177640	IUDSWXMCIWGRFI-UHFFFAOYSA-N	242.362	4.643	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)C1CCC(C)CC1	109737571	UURQNMSPBWPPBI-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CCC(C)(C)C)CNCC(C)C	110203920	XIGZTZKEHRIRSX-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCCc1ccc([C@@H](N)C[C@H](C)C(C)(C)C)cc1	111647055	KPSNZDCWXQOARE-BBRMVZONSA-N	247.426	4.711	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1CCC(C)CC1	112886706	WKXVIEWWENKMKA-GYTBAZASSA-N	240.431	4.780	0	10	BJAE	
CC1(C(=O)c2ccccc2C2CCC2)CCCC1	128258080	QUQZPGAAMZQKMX-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC(C)(C)Sc1ccccc1C(F)(F)F	148448608	UNGLBPIAOFJJGP-UHFFFAOYSA-N	234.286	4.596	0	10	BJAE	
CCC(CC)C[C@@H]1CCCC[C@H]1CNC(C)C	150088738	BRQSZHQXVDCGMH-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NCCC)[C@H](CC)c1ccccc1	158286956	YUNLFKAVOJHHSY-SJORKVTESA-N	247.426	4.739	0	10	BJAE	
CCC1CCC(C(=O)CC2=CCCCC2)CC1	161026938	YVGRLIVRRYXSMV-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CN[C@H](CCC1CCCC1)c1cccc(C)c1C	163496403	IICHBNRGIIMMNZ-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC(C)(C)NC/C(=C\C1CCC1)C1CCCCC1	211468893	SAHKZUMGTHCAEK-FOWTUZBSSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(NCCCC2CCCC2)CC1	225011255	KYLVYZDSBUMEQH-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCC[C@@H](C)CC1	226494881	AKRCYKDCUMVPSF-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)c1ccsc1C	227804049	BGINAUFXQPCQAR-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
C/C(=C/C1CCC(C(C)(C)C)CC1)CNC1CC1	228602252	NBAYBIMOMHSXSO-QBFSEMIESA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC([C@H](NC)C2=CCCCC2)CC1	232907584	STRWILBRZFEUOM-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@H](C)[C@H]1CNc2c(C)cccc21	232957753	HTIKXUIXHQXGCD-IUODEOHRSA-N	231.383	4.721	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1(C)CCCCC1	232988063	NMSVPEVDPMBEAF-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)N[C@H]1CCCC[C@H]1C1CCCCC1	251354430	NODQCFMNQFPRGM-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](N)[C@H](c1ccccc1)[C@H](C)CC	253057389	ZLOHXIKEYTWDBI-PVAVHDDUSA-N	247.426	4.724	0	10	BJAE	
CC(C)(C)CCC[C@](C)(O)C1CCCCC1	300844593	KFPWLOOISSKWEA-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)CCC2CCCCC2)C1	302249448	KBKIXULSHJVLCN-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@H](C)CC(C)C	302326591	KHOONTJNTVHWQJ-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1/C=C/CCCCC1	302418839	LJNJORBGOJVPGV-YQOCHDBPSA-N	237.431	4.681	0	10	BJAE	
CCCc1ccc(N[C@@H]2/C=C/CCCCC2)cc1	302428365	MGGKNHQMOBOGJA-YXMGTMDOSA-N	243.394	4.940	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)c1ccoc1	305901956	CBONFHXVIFJGQE-AWEZNQCLSA-N	237.387	4.537	0	10	BJAE	
Cc1cc(Cl)c2sc(Cl)cc2c1	306603172	XAHPKDGADGJHLZ-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@@H](CCC)CC(C)C	308054662	OXARFBLTDRSYCX-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC[C@@H](C)C1)C[C@H](C)CC	310188552	YDNQAZAFXRCSMF-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
Cc1oc(C)c(C(=O)C[C@@H]2CCC[C@@H](C)C2)c1C	311026163	RWCRHBMZSOKPLS-QMTHXVAHSA-N	248.366	4.604	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CCC[C@H](C)C2)CC=CCC1	317587309	OCBYRKIPABNKHD-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)NCC(C)(C)[C@@H]1C=CCCCCC1	318463739	WXRGGAXWWBENPP-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC[C@H](C)C1CCCCC1)C(C)C	384171847	WVBXZCOLNHFINY-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NC(C2CCC2)C2CCC2)cc1F	384938122	BUCANDHDZICAMY-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCCC1([C@@H](NC)c2ccc(C(C)C)cc2)CC1	384974682	LWWDNDSDSUIELJ-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@H](C)CC(C)(C)C)C1	385225361	SZGFLUBUQHTVQF-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1ccccc1C(C)C	393855081	RYKDCLMTRXGZNZ-BBRMVZONSA-N	234.383	4.526	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)C1(C)CCCCCC1	394586046	GJKXWBASGMITIM-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC12CCC2)c1cccs1	394754118	WSWAZQAHKXBLEV-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
CCc1ccc2scc(CC)c2c1SC	396178254	RTDDVEKDSSRZMM-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
COc1cc(C(F)F)c2c(Cl)csc2c1	396288992	NYZPGJNUYSKYKU-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@H](CC)CC(C)C	401119763	NTFYRXWKMIPHHW-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CCC(C)(C)C2CC2)c1	406103830	JIYYEIQXTCQLJV-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CCCC(N)(CCC)CC(C)(C)c1ccccc1	686664693	JOXRAYIMBFSNCF-UHFFFAOYSA-N	247.426	4.652	0	10	BJAE	
CC(C)c1ccc(C(=O)CCCC2CCC2)cc1	688847723	VOGSAFAUWGLXHL-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
C[C@H](CC(=O)CCCC1CCC1)CC(C)(C)C	688895467	OLIQESXEWLZVSF-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H](C)CC1CCCCC1	689713044	APTWCQOOIAGPIF-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccc(C3CCC3)cc2)C1	690160808	JWBDINZECJCSDQ-GUYCJALGSA-N	243.394	4.945	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCCCC[C@H]2C)cc1	691133458	DQWMIJCHMIBFBK-BFYDXBDKSA-N	245.410	4.614	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1NC1CCCCC1	691156571	LNVQOSYAWCEHKH-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CCCCc1ccc(NCCC=C(C)C)cc1	697748739	XRDVCCZGSJJWQV-UHFFFAOYSA-N	231.383	4.797	0	10	BJAE	
CC(C)=CCC[C@@]1(CNC2CC2)CCC[C@@H](C)C1	698053921	JJVCSPYPKJCYCZ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1OC[C@@H]1CCC[C@@H](C)C1	699494474	XCJQHFVLAMXLSZ-HUUCEWRRSA-N	246.394	4.844	0	10	BJAE	
C[C@H]1C[C@]1(CCCC(C)(C)C)CNC(C)(C)C	703350164	KRKCBCVXUIDWFB-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(N)(CCC=C(C)C)CC1	704840387	XSERTSIQMMNVDD-UHFFFAOYSA-N	237.431	4.811	0	10	BJAE	
C[C@H]1CCCC[C@H]1C1(N)CCC2(CCCC2)CC1	704859772	IKSWHFXJXUWOHL-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1CCC1)NCCC1CCCCCC1	710260040	IUWQHBGUTJBYGZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC[C@@H](C)C(C)(C)C)c1ccccc1	710758982	DAXMYQSWURAOTR-GDBMZVCRSA-N	247.426	4.800	0	10	BJAE	
C[C@H](/C=C1\CCC[C@@H]1[C@H]1CCCCN1)C(C)(C)C	711210252	RUKUIJPNMMWLPC-CUSJDAGRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(Cl)cc1OC[C@H](C)C(C)(C)C	711230914	LIGIRUGILWXNSL-NSHDSACASA-N	240.774	4.709	0	10	BJAE	
CC(C)=C(C)CCNc1ccc(OC(C)C)cc1	718561385	GSPSJEYCFLYEON-UHFFFAOYSA-N	247.382	4.632	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CCC(C)=C(C)C)C1	718655491	YGZRUGWZXRJTNV-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	723616513	WRVMFUCEVIMGFM-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(C(C)(C)C)c(Cl)c1	725386331	AFCCMWVBPCDPCX-UHFFFAOYSA-N	210.748	4.761	0	10	BJAE	
CCC1(C)CCC(NCC2(CC3CC3)CC2)CC1	1474686666	DGMCEBDNSUHWTM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CCc1cc(Cl)ccc1Cl	1888065214	AVEAIXMGCPJQML-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCC(CC)CC)NC	1900711661	FYQCCGYXGRLGLW-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(C)CC(C)(C)C1	1905433446	VAQGAOYTZZCQJL-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)C(CC[C@@]1(C)CCC[C@]1(C)O)C(C)C	1909133961	BMLULVYDWGTTGK-CVEARBPZSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(CC)(CC)CNC(C)C	1910748838	QQCIKEWPYGYOOY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)[C@H]2CCCCCCCC[C@H]2[C@H]1O	1911318430	ASUPDCDEJSHZOU-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC=C[C@@H](NCCC)c1ccc(C(C)(C)C)cc1	1912023169	HULMDTPMFLIBME-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CC(C)(C)C[C@H]1CCCCCCCC[C@H]1N	1913430509	LYPHTSQODCOJJW-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H](C)c1ccccc1	1919493128	OEMFTNOEUDWDQL-HOCLYGCPSA-N	234.383	4.512	0	10	BJAE	
CCCCCC[C@](C)(N)c1ccc(Cl)s1	1920177495	MSGBPEUVVQTODD-LBPRGKRZSA-N	245.819	4.546	0	10	BJAE	
CC(C)CCC[C@@H](O)[C@H](c1ccccc1)C(C)C	1921321290	WZOMJYJLUXYVDQ-SJORKVTESA-N	248.410	4.613	0	10	BJAE	
CC(C)CC(N)(CC[C@H]1CC1(C)C)CC(C)C	1921560642	CYNOJZKKERLFFI-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CC(C)NC[C@@]1(CC2CCC2)CCCC12CCC2	1921608845	ZMAHPPFFRMWTGV-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C(=O)CC1CCC=CCC1)C1CCCCC1	1924098489	GTWGRDILOBRJGN-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@H](C)C1CCCCC1	1924104256	JRIJICAQIXCWIF-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(C[C@H]2C=CCCCC2)C1	1925919820	HOSDITDMPMZPJS-IKGGRYGDSA-N	249.442	4.668	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H](CC(C)C)C(C)C	1936210673	DBWAEAVPFWGXQP-ZDUSSCGKSA-N	226.404	4.700	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](CC)c1ccsc1	1937264898	DSBXZSMDJXOKGO-OCCSQVGLSA-N	239.428	4.615	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)Nc1ccccc1Cl	1939046627	MEHLNLLELALCRD-NWDGAFQWSA-N	239.790	4.823	0	10	BJAE	
CC1(C[C@H]2CCCCC[C@H]2CN)CCCCC1	1940406004	FITSEHLEZDRSPN-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
C[C@H](C[C@H](O)CC[C@@H]1CC1(C)C)CC(C)(C)C	1940863067	KPCUODXUMBGTCD-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CCC(C)(C)C1CC1)c1cccc(N)c1	1940980486	QRIWZBWXRQHVCY-GFCCVEGCSA-N	231.383	4.589	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CC1CCC(C)(C)CC1	1941269382	PRIUKAJZCOOQGM-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](CNC(C)C)C(C)(C)C	1942655079	GEBBHDDVLHEIBF-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](C)[C@H](C)CNCC(C)C	1942665389	XWFOSMWSIGHLDK-XHSDSOJGSA-N	241.463	4.577	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C[C@H](C)C1CC1	1944518441	UWTHDVXUCDQCTC-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc([C@H](O)C(C)(C)C(C)C)c1	1944622915	NVAMYWNYFDPMRQ-HNNXBMFYSA-N	234.383	4.526	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)C(C)(C)C1CCCC1	1944641594	MAQIADXHZADKFK-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)c2cccc3sccc23)C1	1945970696	RIRMVRIJMKGMAA-WDEREUQCSA-N	244.359	4.520	0	10	BJAE	
CCC(C)(CC)CNCC(C)(C)C1CCCC1	1946166676	NDPVSTVQQOKMJU-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc(SC)cc1	1947465581	VSUNVQMDVAECQR-WFASDCNBSA-N	249.423	4.789	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2C=CCCC2)cc1Cl	1947551221	DBINKMYKQIQWEZ-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
CCC[C@@]1([C@H]2CCC(C)(C)C2)CCCCCN1	1949423393	XTUHYLMPNJXDOV-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H](CC)C1)C(C)(C)C	1949824783	DPALJKBUUGTSCU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CO)CC12CCCCC2	1950599420	OECCODLGDIIPIY-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
C[C@H]1CCC[C@H](CNC2CC3(CCCCC3)C2)C1	1969004582	CPMVXLTXAXHDSG-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)C1(C)CCCCC1	1975576115	VVHQRRYALZYRPK-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCC(CC)CC(=O)c1cc(C(F)F)cs1	1977099395	KZBATPYNRJLZTH-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CC(C)=C[C@H](C)C1	1978420113	DHMMGEXVBZKLEC-JSGCOSHPSA-N	222.372	4.518	0	10	BJAE	
C/C=C/CCCc1cc2cc(C)ccc2o1	1984607152	OWBKVQAYMUSQFG-ONEGZZNKSA-N	214.308	4.640	0	10	BJAE	
CCC1CCC(CCCC(=O)C(C)C)CC1	1989840077	VNDZMCKXBGXLAM-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCC(F)(F)C1=O	1997565451	DMCPRWCMPZQUHQ-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1CC1(O)CCCCCCCCC1	1998544234	VRSKGQXKMRWOBU-FICVDOATSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)[C@@H]1CCCC(C)(C)C1	2000143461	NTKJXBWBFZQECK-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)CC1=CCCC1	2000508852	KPOVJRWXXVYYRX-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCNCC(=CC1CCC(CC)CC1)CC	2002885075	VPQLMOBMSVDSOB-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CCCCCC[C@@H]1O	2003098616	HBHQHOCCBQIPOH-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@H](N)CCC(C)(C)C2CC2)CCCC1	2003173721	BXCLAWQXKVNVAR-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(C(=O)CCCCC(C)(C)C)c1	2003644376	BIBRUBUVZJUFTF-UHFFFAOYSA-N	232.367	4.784	0	10	BJAE	
C[C@H]1CCC[C@@H]1Oc1ccc(C(C)(C)C)cc1	2006725058	DTIKHRUOZYQWOM-WFASDCNBSA-N	232.367	4.552	0	10	BJAE	
CC(C)=C(C)CCc1c(F)ccc2c1CCC2	2008647122	WKRVEYKBDDFFMU-UHFFFAOYSA-N	232.342	4.603	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCC=C(C)C)[C@@H]1CC	2009250391	WYYCJVXNSZLEFF-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@](C)(N)[C@H]1CCCC(C)(C)C1	2009574482	BDQMLXRBGRIFNF-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@H]1CCCCCC[C@H]1NCC	2009609858	BLOWYLCQRCVXLF-KADIJHKTSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@]1(CNC)CCC[C@@H](CC)C1	2009617662	VESFWJOHHDPELS-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)(CC)CN(C)CC(C)(C)C(C)C	2011184571	SVYHNXHUJUNASQ-UHFFFAOYSA-N	241.463	4.817	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cc(F)ccc1F	2013265682	YNQCKCBYWJEGNF-LBPRGKRZSA-N	241.325	4.592	0	10	BJAE	
Cc1c([C@H](N)CC(C)(C)C)sc2ccccc12	2014291299	KRLLBTCCTSEZOK-GFCCVEGCSA-N	247.407	4.646	0	10	BJAE	
CCCC1(CC(=O)[C@H]2C[C@@H]2C(C)(C)C)CCC1	2015584367	IHUDVTAGKUNXLY-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)CC1(C(C)C)CCC1	2017139944	BJXBGPCYXBARKQ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(N)(CC2(C(C)(C)C)CCC2)C1	2017146012	OJAUJUZAGKSXKZ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCCC)C(C)=C(C)C	2017475239	LOPCJKKUZPJORM-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CCC1CCC(C[C@@H](O)[C@H](C)C(C)(C)C)CC1	2017648874	QHQJVHAAJADIOY-VXGQWTEUSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(C[C@]2(C)CC[C@@H](N)C2)CC1	2017732437	BAYNYEFUFUYUPQ-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CCC(C)(C)C1CC1	2017781129	ILOKXDOBLPVYCP-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(C)c1cc2cc(C(C)C)ccc2[nH]1	2017802274	KKOCRAFNFAXZBC-UHFFFAOYSA-N	229.367	4.979	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1C[C@@H]1CC(C)C	2018128257	XRUDAGYOCXFKSH-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)C1CCCCC1	2018139584	SWPUMWHOXZWOQL-HOCLYGCPSA-N	239.447	4.904	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)C1(C)CCCC1	2018993991	JKDRMXULBVWDJH-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)CC1(CCC)CC1	2019005311	DACKZPWOPXHART-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C)c(NCc2cc(C)c(C)s2)c1	2019922049	QEYHCBZXUZVUHV-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCN[C@@H]1[C@H](CC(C)(C)CC)CCCC1(C)C	2020349006	QOQAZTQGBFIXDH-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C(C(C)C)C(C)C	2020968459	VZWCPHUREAZEST-MRXNPFEDSA-N	239.447	4.639	0	10	BJAE	
CC1(C)C[C@@](C)(CCCC2CCCCC2)CN1	2022140640	HCHUYGBYTOGONV-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CCC[C@@H]1C[C@H](C)CCC	2024001969	WEGDOGJWKMOIHG-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CC(C)(C)CC[C@H]1NCC	2024115482	FNMPZLMHPKJSOD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1cc(C)oc1C	2026075577	XKRVPCANMKDZHH-NHYWBVRUSA-N	237.387	4.503	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)C1=CCCCCC1	2026141855	GUNSUGZKKNFMCV-GDBMZVCRSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc([C@@H](O)[C@@H](CC(C)C)C(C)C)cc1C	2028241188	OYPAIJARAWHXEX-DLBZAZTESA-N	248.410	4.655	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](CC(C)C)C(C)C)cc1C	2028257392	JBOCJVCKMDRMIG-INIZCTEOSA-N	246.394	4.804	0	10	BJAE	
CCCCC[C@@H](NC)c1ccccc1C1(C)CC1	2028601767	AYPQFVOOZVRJES-MRXNPFEDSA-N	245.410	4.579	0	10	BJAE	
CC1(c2ccccc2N[C@@H]2CCCC2(C)C)CC1	2032241977	BQLQOTIDCZQJDF-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
C[C@H]1CCC[C@H]1CNc1cccc(C2(C)CC2)c1	2032509553	JNWMLQMWLPBSGA-KBPBESRZSA-N	243.394	4.586	0	10	BJAE	
C[C@@H]1CC(NC2(C3CCCC3)CCC2)C[C@@H](C)C1	2033048026	FOBDXIHBBAZARL-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCC[C@H]1N1CCCC2(CCCCC2)C1	2033450817	MTTASUCNRSFIHZ-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC1(C)C([C@]2(N)CCCCC23CCCC3)C1(C)C	2034039647	MAWOWKLWNXTQKN-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)C[C@@H]2C=CCCC2)C1(C)C	2035561706	GGTMVNLRWCVHNY-CKEIUWERSA-N	248.410	4.764	0	10	BJAE	
O[C@]1(C[C@H]2C=CCCC2)CCCC12CCCCC2	2035586287	BDFRSKQMTMWZKD-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)CC2CCC=CCC2)CCCCCC1	2037206700	CBYRPXNHWORQSH-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C=CCC1)CC1CCCCC1	2038164651	HTAFPDJZXIHXAN-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)(CC[C@H](N)[C@H]1CC12CCCCC2)C1CC1	2039087323	ASDMGZYZJOHJIL-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CCC[C@@H](C)CC1	2039367421	VQPXJODQABCGAQ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CC2)C1CCC(C)(C)CC1	2040639858	YMCZSFUFZYTNKZ-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](NC1[C@H]2CCC[C@H]1CC2)C1CCCC1	2042022030	NMPAOQZYAQMZST-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H](N[C@@H]1[C@@H](C)[C@H]1C)c1ccccc1	2043294601	FXVSXSRTMWDKPK-HDEZJCGLSA-N	245.410	4.552	0	10	BJAE	
CCCCCc1ccc(NCC2[C@@H](C)[C@@H]2C)cc1	2043416980	VVCMMNHUZSCBIG-KBPBESRZSA-N	245.410	4.733	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)C[C@H]2CCC=CCCC2)C1	2045314578	LOZSLUZKIFGSRL-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccc([C@H]2C[C@H]2C)o1	2045556586	ANZMONQESOUTJK-OLZOCXBDSA-N	246.350	4.722	0	10	BJAE	
C=CC=CCCC(=O)[C@@H](c1ccccc1)C(C)C	2045673843	OCGXQXAYTQRXAZ-QGZVFWFLSA-N	242.362	4.518	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047424131	HZBQYDFVJPRMJH-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
N[C@H](C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCCC1	2048436470	SBEIOUDVUJVOGO-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)CC12CCC(CC1)C2	2048868381	HZGVLPSUHGJJSZ-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CC[C@H](C)CC1	2049638162	KNNVRLGLVUWLAS-HDJSIYSDSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)CC1(C)CCCC1	2049787761	CCSNDDAKBDERKZ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)CC1(C)CCCC1	2049792802	IQIASDSQIGMERG-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C[C@@H]1CCCC2(CC2)C1	2049861468	WQMIFFLIBAZYPK-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC[C@@H]1CC1(C)C)[C@]1(C)C=CCCC1	2050005301	FLYGCBUKMRPXBO-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(Oc2cccc3c2CCC3)CC1	2050413596	KLQWHWPTLJDJGA-UHFFFAOYSA-N	244.378	4.523	0	10	BJAE	
CCC[C@@H](C)CC[C@H](NCC)c1cccc(C)c1	2050456531	RNDGQBCOQJGDCM-PBHICJAKSA-N	247.426	4.862	0	10	BJAE	
CN[C@H](CCCCC1(C)CC1)c1cccc(C)c1	2050462267	BKEAPJJZKYTBFI-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)c2ccccc2F)C1	2050495598	VSIYXPWSTODZKP-QWHCGFSZSA-N	248.341	4.615	0	10	BJAE	
CC1([C@@H](N)CC2CC3(CC3)C2)CCCCCCC1	2052480991	WHQCURFTVKUREB-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H]1CCCCC12CC2	2053304015	HJCVTJVHJWZKOR-ZBFHGGJFSA-N	247.426	4.578	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@@H]1CCCCC12CC2	2053329627	YWXOTNDLHOLEFY-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@]2(CN)CCCCC23CC3)CCCCC1	2053419229	RVPUDZTYDDRPCN-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
CC1=C(C)[C@@](O)(C[C@@H]2CC23CCCCC3)CCC1	2055610686	IPABWMUVRFOKSZ-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C=C2CCCCC2)CC1	2056872395	CHPZJTILTZGYAN-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H](C)C1CCCC1	2056874055	SSPYWDIAEIGVGK-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CC(C)(C)C1CC1	2056879929	XQVQCELTSCTMEF-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@@H]1CCCC12CCC2	2059178188	QAHGPUMRVDHFKM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](NCC)c1cccc(F)c1C	2059257383	WYMWKGQYDANSEJ-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCc1ccc(C(F)(F)F)c(C)c1C(F)F	2060351047	JYNPCPRPDIZGEY-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)[C@H](C)C1CCC1	2061143776	MIYZZUJVXJRBTB-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(NCC[C@]23CCC[C@H]2C3)CC1	2061575147	PBZDXKPOQTWIGY-OTBWCIGPSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1CCC[C@H]1C[C@H]1C	2062640595	DJAQSZMYGHJTEJ-APIJFGDWSA-N	243.394	4.658	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063476161	GNSLOIBKMIFPFU-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1CC2(C1)CC21CCC1	2064127999	UWMCRKSQMGGSMR-CBCUQQMYSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCCNC(C1CCCC1)C1CCCC1	2065936396	DXRZYUNAUKLLOG-NSCUHMNNSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](C[C@@H]2CC23CCCCC3)N1	2066376488	UWHHUIYFDOMLMM-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
C[C@H](Nc1ccc(C2CC2)cc1)C1(C)CCCC1	2067519432	GBMKMNSETABNMB-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H]2CCC2(C)C)cc1	2068290920	MIRRCQUVVCAJBM-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068767671	GAIFRGUKQXGDIA-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1(C(C)C)CCC1)C1(C)CC=CC1	2071944712	ZKZIOOJKTSEDED-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)c2cc(C)c(C)o2)CC1	2072695015	DZLQAURWTGXOQK-HDJSIYSDSA-N	248.366	4.686	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@@]2(C)C=CCCC2)CC1	2072792539	BCNINGGAGFERHV-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](C[C@H]1CC[C@H](C)CC1)[C@]1(C)C=CCCC1	2072796615	PZXRVLOOBNUDCJ-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CC=C(CC)[C@@H]2N)CC1	2072802589	ZIJSVCMLAYQDDL-OTRWWLKZSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](C=C(C)c2cccc(N)c2)CC1	2072811592	GAVSMUDIADHJFC-SHTZXODSSA-N	243.394	4.889	0	10	BJAE	
CCCC1([C@H](C[C@@]23CCCC[C@@H]2C3)NCC)CC1	2074026033	RQIQFXDXTQKBCE-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CCCC3(CCC3)CC2)C1	2074892893	QGSIYWVEJLPTIM-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H](CC)N(C)CCCCc1ccccc1	2074994153	VRCJYZVUJHFUOH-KRWDZBQOSA-N	247.426	4.520	0	10	BJAE	
CC(C)CCCCCN1c2ccccc2C[C@@H]1C	2075147621	WUDLEZASRRFYMO-HNNXBMFYSA-N	245.410	4.654	0	10	BJAE	
CCN(CC[C@]12CCC[C@@H]1C2)C1CCCCCC1	2076557850	FRWDARCPDLYBCI-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2C[C@@H]2C2CCCC2)C1	2079493644	YUYIRZMIQCYTQA-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CC[C@]1(C[C@@H]2C[C@H]2C2CCCC2)CCCCCN1	2079632968	LBGCAQPZQMBPKE-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@@H]1C[C@H]1C1CCCC1)c1ccc(N)cc1	2079708463	ZLCHKPJLMWETGY-VMGRFDJRSA-N	243.394	4.589	0	10	BJAE	
CCC(CC)C[C@@H](N)CC1C2(CCC2)C12CCC2	2083578768	MUWREPHQDBFQTK-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC1(C=C2CCCNC23CCCC3)CCCCC1	2083811714	DRPYKSIMIILELW-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N(C)[C@@H](C)c2ccccc2)C1	2085290055	GMBPAMIENDQDAM-USXIJHARSA-N	245.410	4.504	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)Cc1ccccc1C	2085940740	KSAZIENBXZWJIR-CQSZACIVSA-N	246.394	4.713	0	10	BJAE	
CC[C@H](C)CC(=O)c1cc(C)c(Cl)c(C)c1	2210142840	SXRHEMMKEWHKEN-VIFPVBQESA-N	238.758	4.576	0	10	BJAE	
Cc1sc(C(=O)C[C@H](C)C(C)C)c(C)c1C	2211701600	BRPCTMJGZJQZLD-VIFPVBQESA-N	238.396	4.538	0	10	BJAE	
CCC[C@H](N)CCC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213300912	YIGPFKWWYQVMAD-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)NCCCCCCC1CC1	2213575883	KIQDVMCRQINPGU-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CC1([C@@H](N)CCCCCCC2CC2)CCCC1	2213580099	WYOPFIQNVBWRKV-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
FC1(F)CC[C@H](CC/C=C/c2ccccc2)C1	2213824204	CMFRPKGWAZHUOX-PXYYCUNGSA-N	236.305	4.915	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(CCCCC2CC2)C1	2214563150	OQIMLQNWUPJFOS-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](O)CCCCC2CC2)C1	2214568276	ISCQSPYPZOHCKE-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CCCCC2CC2)C1	2214580993	JRKQQRANHDIDMZ-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CC1CCC(C)([C@H](O)CCCCC2CC2)CC1	2214581874	OGIOJRCGTBLCRT-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CC[C@H]1C[C@H]1C)CNC(C)(C)C	2215257002	VTUDKSJPLJFBEA-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@@H]1CCOc1ccc(C(C)C)cc1	2215346256	OYWJMUKZOXOROS-ZFWWWQNUSA-N	232.367	4.625	0	10	BJAE	
CCCCCC[C@H](CCCCC(F)F)NCC	2216460770	YIOOEKYTHWWWJK-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CCCCC(F)F	2216505640	QGVQCDUQXVYFCG-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](C)NC[C@]1(CCC(C)C)C=CCCC1	2217123735	ATPHKGCRYIEOFG-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@@H]2CC[C@H]21	2217283082	ODLQXNVJSAYXCU-NJZAAPMLSA-N	249.785	4.503	0	10	BJAE	
NC[C@]1(CCCCCCC2CC2)CCCC12CC2	2218720214	HCIAFCZIRFHBEO-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CCCCC2CC2)c(C)c1	2220044711	JTQQJURFDQWDMW-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)C[C@H]2CC[C@H](C)CC2)CC1	2221623275	LAAGKXNAIALWGO-QSPRXWTASA-N	249.442	4.667	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CC2(C)CC(C)(C)C2)CC1	2221625522	PTQHKQZSNJIXIT-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1N[C@@H]1CCC[C@H](C(C)(C)C)C1	2222260259	AJXKTRQRXDRTRU-QXSJWSMHSA-N	249.442	4.536	0	10	BJAE	
C(CCCN[C@]12CCCC[C@@H]1C2)CCCC1CC1	2223153038	VXEYCQQKJBNOCU-SJORKVTESA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H]1CCc2cc(C)ccc2N1	2224126392	WYZXNDUFWLNXCF-FMKPAKJESA-N	243.394	4.548	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(C)c(Cl)c1	2244802959	RGXOYAODIOAGKO-LBPRGKRZSA-N	239.790	4.887	0	10	BJAE	
CCC[C@](O)(CC)CC[C@H]1CCCCC12CC2	2246641256	DGGKCTAPSXCRDY-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
O=C1CCCCC[C@@H]1c1cc2ccccc2s1	2246908375	OSEFJRXUNWMOHJ-LBPRGKRZSA-N	244.359	4.518	0	10	BJAE	
CCCCC1CC(N)(CCCC[C@@H]2C[C@H]2C)C1	2247174952	YJDPPMWNENUSKM-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2=CCCCC2)CC1	2247455027	IEKVWYNLQXJGQL-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
C[C@@H](CC(C)(C)C)NC(C(C)(C)C)C(C)(C)C	2247731383	LTXBWQAZOSSYHU-LBPRGKRZSA-N	241.463	4.862	0	10	BJAE	
CC1CC(CC(=O)CCCCC[C@H]2C[C@@H]2C)C1	2248857750	ZLPZVMJICBXJAN-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](CCCCCCC2CC2)N[C@@H]1C	2250225920	HFKVQFVBCPXWEF-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(C)CC[C@H](O)C1	2250485025	JIEVIXROLJFAMQ-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H](C=CC[C@H]1CCCCC12CC2)CN	2253816831	UXKBLCVAECCJAH-HZPDHXFCSA-N	249.442	4.524	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CC1CC2(CCCC2)C1	2254113425	JKLBJPNPKKNQCU-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(C[C@@](C)(N)[C@H]2CC23CCC3)CC1	2256484266	BUTXSSUGNPFPJV-GDBMZVCRSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCCO[C@@H](C)c1ccc(N)cc1	2257269009	AOXJLVOHFWTBJX-AWEZNQCLSA-N	249.398	4.563	0	10	BJAE	
Cc1cc(NC2[C@H]3CCC[C@H]2CC3)cc(C)c1C	2258246996	PKHJBOGXRGQICN-GJZGRUSLSA-N	243.394	4.602	0	10	BJAE	
CCCc1ccccc1OC[C@@]12CCC[C@H]1CC2	2260647243	OKDPCMKWFDEWOG-RDJZCZTQSA-N	244.378	4.598	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)c1cccc(C2CCCC2)c1	2260662259	IODNTXSQTRMHBU-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CCC(CC)CC[C@@H](O)C12CCCC1CCC2	2300681852	SYEBSDUXZMPALI-HWOWSKLDSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)CC[C@@H]1C[C@H]1C	2300682681	BADGKOSSBIYEAB-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H](NC)CC(C)(C)C1	2300688230	LHZRCZXHLOCPIU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H]1CCCCC[C@H]1CNC	2300699436	GDJKJDFYRIUANZ-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H](CC)CC(C)C	2300872629	RJHPTQWJTHRQKX-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCNCC[C@@H](C)CC=C(C)CCCC(C)C	2300885691	LCUGVGIVLOHIEO-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H](C)[C@@H](C)C(C)C	2301867610	SRVKYKHLRQJIOI-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CC(C)(C)[C@H]2C)cc1	2302145576	AGVVRQHQCBOJIW-WFASDCNBSA-N	231.383	4.657	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CC1CCC=CCC1	2302615020	ICPSCZNLDIEDPI-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
CCC1([C@H](N)C[C@H]2CCC(C)(C)C2)CCCC1	2302674455	AMKPNSYQDLDFJC-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C[C@@H](C)C1CC1)NCC	2307826712	PWSTZCRNEKXSMB-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)[C@@]12CCCC[C@@H]1C2	2307826967	SLMZFUNRDOSINZ-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CO)CCC[C@H](C)CC1	2307877812	MUICMVONABBVRX-HRCADAONSA-N	240.431	4.782	0	10	BJAE	
C1CCC[C@H]2[C@@H](CC1)C[C@H]2NCCCCC1CC1	2309183307	GULQGRHFQLTSEQ-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)[C@]23CCC[C@@H]2C3)CC1	2311022709	PNTMAHJZZVBKDA-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@@H]1C[C@H]1C(C)(C)C	2311518550	PKCINJALAKPWLZ-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)[C@@]23CCCC[C@@H]2C3)C1	2311892901	PVVLWYRDLGKQSJ-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313182391	FYEIATGONDVVPG-DMRKSPOLSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(C[C@@]23CCCC[C@@H]2CC3)CCC=CCCC1	2313325002	HCLZAOXXBQGPTP-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
CC(=CCN[C@@H]1CCC[C@@H](C(C)C)CC1)C1CC1	2315267467	ZLMQDJDJJLHJHE-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@]12CCCC[C@H]1CC2	2317005678	YJGJQGYSQDJTKB-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@@]12CCC[C@@H]1CC2	2317910205	FPOKEVDYYPMNMR-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@@]12CCCC[C@@H]1C2	2318886493	WUGCLRBIPVGVRO-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2318944611	RPDZLZWAICRMPC-PEHHYFEISA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)C2(C)CC3(CCC3)C2)C1	2319113081	KKXRDJTXOASUKR-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCCC[C@H]3C[C@@H]32)C1	2319459064	RVCSJMRQEOEOBG-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@H]1CC[C@H]1C(C)(C)C)c1ccc(N)cc1	2320245454	AQBAOHQREPTSHD-DUVNUKRYSA-N	245.410	4.835	0	10	BJAE	
CC1=C(C)C[C@H](CN2CCC[C@H]2C(C)(C)C)CC1	2320388953	VZPPNQNSGGMHFP-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)CCCC[C@@H]3C[C@@H]32)C1	2321634193	PKGUGQXPCVLMIA-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CC)c1ccc(C)cc1	2328193063	IYXWHZUCEITCLK-RDJZCZTQSA-N	247.426	4.775	0	10	BJAE	
CCC[C@H](N[C@@H](C)CCC(C)C)c1ccccc1	19233380	LWXJRTDKHQLFIL-RDJZCZTQSA-N	247.426	4.942	0	10	BJAE	
CCCCCc1ccc(NCCC(C)C)cc1	21804157	ONXQIPPROWHJJG-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CCN[C@@H](c1ccc([C@@H](C)CC)cc1)[C@@H]1C[C@@H]1C	35544416	YAICRLFAOSIYCQ-CLROSIBMSA-N	245.410	4.507	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@@H](C)CC	36820038	FIBIBHRJNCDFIT-BBRMVZONSA-N	233.399	4.507	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1ccc2ccccc2c1	36951905	GNNWTUYQXBWBCZ-DYVFJYSZSA-N	239.362	4.830	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H]2CC=CCC2)cc1	36953291	NLFCBVNBUXCVIF-GJZGRUSLSA-N	243.394	4.968	0	10	BJAE	
CC[C@@H](C)CN[C@@H](CC(C)(C)C)c1ccccc1	37128432	UCFRMRPNVMBEBF-ZBFHGGJFSA-N	247.426	4.800	0	10	BJAE	
CC[C@H](Nc1ccc(Cl)cc1C)c1ccco1	54083056	SCSPVPVVFKAMBS-LBPRGKRZSA-N	249.741	4.805	0	10	BJAE	
CCCC[C@H](C)c1ccc2ccccc2n1	59137766	IVUHHVDQICGJBW-LBPRGKRZSA-N	213.324	4.529	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)c1cc(C)ccc1C	69375187	VOUGJVMXWZXUAM-HZPDHXFCSA-N	247.426	4.923	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccc(SC)cc1	70977399	KBAQHFSIFCFMMY-IUODEOHRSA-N	249.423	4.789	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)c1ccc(C(C)C)cc1	84400407	QROSPKJWDDTCSJ-GJZGRUSLSA-N	247.426	4.692	0	10	BJAE	
CCC1CCC([C@]2(O)CCCC(C)(C)C2)CC1	85078114	DOIOPKNRJBANHI-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)n1c(=S)[nH]c2ccccc21	86642938	MPVDOWVGLWRJMK-UHFFFAOYSA-N	248.395	4.624	0	10	BJAE	
Cc1cc(C)cc(OC2C[C@H](C)C[C@@H](C)C2)c1	87439728	ZPDSRDNNUSTOGY-ZIAGYGMSSA-N	232.367	4.507	0	10	BJAE	
CCC[C@H](O)c1cc2cccc([C@H](C)CC)c2o1	88072408	HNFZRVGMKFNXOY-RISCZKNCSA-N	246.350	4.780	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCc1c(C)cc(C)cc1C	88292731	JTRHIEMYJJUVKW-LRDDRELGSA-N	247.426	4.526	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCCCC1(C)C	94274153	RSKCDEAJFZEVQO-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CCCCCC(C)(C)CNc1cc(C)ccc1N	94983658	GGJPFDPANZJPMP-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1[C@H](C)CCCCN	96891523	XYDSDMMAHRNJOY-CYBMUJFWSA-N	247.426	4.525	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H](C)CCC	124900525	PYNTZBXOAPJCGQ-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCCNC[C@H](C)[C@@H](C)c1ccc(C(C)C)cc1	132971158	KUINWHYZSXWQJR-LSDHHAIUSA-N	247.426	4.549	0	10	BJAE	
CCCC(CCC)Nc1c(F)cccc1Cl	135243981	RZVGUKDPIITTRP-UHFFFAOYSA-N	243.753	4.860	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@H](C)c2ccc(C)cc2)C1	159898001	VDYLYNNSWAINKB-HLLBOEOZSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H](C)C1CCCCCC1	164126753	SKPBTPJBRJNGLI-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H](C)C1CCCCCC1	164126988	SKPBTPJBRJNGLI-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
CCCCCCC(=O)c1cccc(C)c1Cl	164726852	SBGNKCGXMNWCIN-UHFFFAOYSA-N	238.758	4.802	0	10	BJAE	
CC(C)CCC[C@@]1(N)CCCC[C@@H]1C(C)(C)C	165671995	RKVGLHAGDSWRAZ-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C2CCCCCC2)CC1	167684757	UUHRYIQQPSMMFN-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(C(=O)CCC2CCCCC2)cs1	168462105	UHGNVVQKDHKSFV-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CC(C)c1ccc(C2(C)CCCC2)cc1	205956007	RDRJDNKWSGMCML-UHFFFAOYSA-N	202.341	4.642	0	10	BJAE	
CC(C)[C@@H]1CSc2cccc(C(C)(C)C)c2N1	214913495	PMGCNLLSLWKNNU-LBPRGKRZSA-N	249.423	4.526	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H]1CCC[C@@H](C)C1	225081285	YGWBHYQZLHUSJE-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCc2occc21	226005380	ZMVAMBVCKKKJCL-ZFWWWQNUSA-N	249.398	4.606	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C(CC)CC	228692957	MGYDHZTVLCNVMS-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)[C@@H](C)CC	228812598	GJDVOIUGTMRTLX-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCC(C)(C)CC)CC1	233393389	CDSJBYQZAWHOCN-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1nc(-c2cc(C(C)C)ccc2C)cs1	259416965	WOXQEKJLLLRFOO-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
Cc1cccc(C(=O)C[C@H](C)CC(C)C)c1C	304172824	MCFASTWVJSURHB-GFCCVEGCSA-N	232.367	4.558	0	10	BJAE	
CCNCC1(CC(CC)CC)CCC(C)CC1	317086210	LAGUNJZMIQHNKI-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC1(Cn2ccc3c(Cl)cccc32)CCC1	383712728	UHPQMVMONNNRRX-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CC1(C)CCCC1	383958194	JDKXZFWTWBJJLS-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C1=C(CC[C@H]2CCc3ccccc3N2)CCCC1	385159255	LDCNJZYSAUDIRB-INIZCTEOSA-N	241.378	4.694	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C)c(C)c1	388591485	LTCHLIDITSOEGU-BFYDXBDKSA-N	245.410	4.533	0	10	BJAE	
CC[C@H]1CCC[C@H](CNc2cc(C)ccc2C)C1	394554406	HETYXVWJZCFRFY-HOTGVXAUSA-N	245.410	4.932	0	10	BJAE	
CCc1cccc(C)c1NC[C@H]1CCCC[C@@H]1C	394876295	DNBRLMTWGRTJPV-XJKSGUPXSA-N	245.410	4.796	0	10	BJAE	
CSc1c(C(F)F)ccc2sc(F)cc12	396256161	VBARFPGHDFOHMW-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
COc1csc2cc(Cl)cc(C(F)F)c12	396286758	BSBTWLWIAITEGH-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)cc1C)[C@H]1CC1(C)C	397581515	FXSKZLBCLIGTDL-GDBMZVCRSA-N	245.410	4.930	0	10	BJAE	
CC(C)=CCCN[C@@H](C)c1ccc(C(C)C)cc1	397783980	XMMGGMKPZARWAE-HNNXBMFYSA-N	245.410	4.817	0	10	BJAE	
CCc1ccccc1NC[C@@H]1CCCC[C@H]1CC	401598235	XOJWAUVJPZBQNW-ZBFHGGJFSA-N	245.410	4.877	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)C1CCCCCCC1	402129675	FJKYOEIDHLDVKM-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CNCC(C)(C)CC(C)C)CCC1	687275183	NUOISGMVGUOYOC-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@@H](C)C1CCC1	692795091	MYRBSDJXNRYDTN-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CNc1cc(CC2CCCCC2)ccc1Cl	694960604	GVJKECROBZYYDK-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
C1CCC(CCNC[C@H]2CCCC3(CC3)C2)CC1	695695649	VKFZYWFNHNWMFH-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)CCC(C)(C)CC	696809126	UAICSDZPODSAJH-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCNC/C(=C/[C@@H]1CC1(C)C)C1CCCCC1	700663975	QCPVNPBMOUPEAR-UVQBRAAOSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C(C)(CC)CC)C1	701291937	RVQIXPVBSLYCKC-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1cccc(C)c1F	704923724	GMPRHZXAPHBAHC-HNNXBMFYSA-N	249.373	4.531	0	10	BJAE	
Cc1cc(C)nc(NCCCCCCC(C)C)c1	707984849	CRCPVYKCOQBJTE-UHFFFAOYSA-N	248.414	4.717	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@]23CCCC[C@@H]2C3)c1C	709115680	TUPXSNRUWZLPCK-BFYDXBDKSA-N	243.394	4.684	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@@H](C)CC1CCCCC1	709757883	GQXWTRQKDNYOEY-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
O[C@H](C1=CCCCCCC1)C12CCC(CC1)CC2	710259024	YFWWHVFFYFHYQV-ARWYELJZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@H](C)C(C)(C)C)CC1	710752212	SCPIQLGSPRFLCX-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C[C@@H](N)C[C@@H](C)C(C)(C)C)C(C)(C)C	711193388	RQCYCVXTHPTBOJ-MCIONIFRSA-N	241.463	4.848	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CC(C)(C)CC[C@@H]1C	713094898	SCFCPFBRRZNZRU-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCC[C@H](CC(C)C)C1	713169635	OWFFYKYVWMSPOB-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)[C@H]1CCCCC1(C)C	713217909	SDYMARHYWYLJMN-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)CC(C)(C)C(C)C)CC1	713249161	JBEOMJUGPPTGSL-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CC(=O)c1cc2sccc2s1	713294235	UHASATUNSNOYDP-UHFFFAOYSA-N	238.377	4.582	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@H]21	714277487	UHSFVPXKBBWSRY-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H](C)[C@]1(CNC2CC2)CCC=CCCC1	719048410	ODPGLSAAJXLEFI-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC(=CCl)COc1ccc(C(C)(C)C)cc1	1889824453	KZYBNPPMRHCIED-UHFFFAOYSA-N	238.758	4.506	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1CCC(C)(C)C1	1902293666	NNZROBNKFBKYCM-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@]1(C)CCCCC1(C)C	1905842431	NWZPTPFASRLXQN-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@]12CCCC[C@@H]1C2	1909881204	DSZZOSVGDHNHAC-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C1(CC)CCCC1	1912044261	FGWRBTMHCRIATI-MRXNPFEDSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@H](CC1CCC1)C1CC2(CCCC2)C1	1912614131	OMDWKQDXCPAPGD-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCCCC[C@H]1C[C@H]1C=CCC1	1913386323	KZEUNZFMXLMFNF-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CCCC(C)(C)C	1920187448	KFMYWHRMFOPNIL-DZGCQCFKSA-N	227.436	4.747	0	10	BJAE	
CC1(C)C[C@@H]1CCn1ccc2ccc(Cl)cc21	1921454609	UBTHHHJRTOKSLR-LBPRGKRZSA-N	247.769	4.731	0	10	BJAE	
C[C@@H](CNC[C@H]1C=CCCCC1)C1CCCCC1	1925818957	FVAPOFKDOVDVGX-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@@H]1C=CCCCC1	1925891897	QHZGPWHQLMXQIW-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC(=O)c1cc(C)c(C)cc1C	1926212609	NJKQCOPMTPNSKN-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
CCC[C@H](C(=O)CCC(C)=C(C)C)C(C)C	1936208484	IKMZLRRVEVNJRS-AWEZNQCLSA-N	224.388	4.764	0	10	BJAE	
CCCC(CCC)C(=O)CCC(F)(F)CC	1938816194	RCELRBHYXFORCP-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)C(C)(C)C(C)(C)C	1940877073	ORDHEXMPDXCJCC-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@H](CCC)C(C)C	1941263176	MZXBAPGQWKSBLX-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CCCCCC1CC1	1941585606	GSHNRSIQOSOYEW-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCCNC[C@@]1(CC(C)(C)C)CCCC1(C)C	1944478795	VZECPFXUZGIPBK-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)C(C)(C)C(C)C	1944665998	MBTWEXGJGOTQMK-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)C(C)(C)C1CCCCC1	1944667145	ZMPRSCKMXLAGAB-YDHLFZDLSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](NCC)c1c(C)coc1C	1947528550	BDJLPPDCJXGMQY-AWEZNQCLSA-N	237.387	4.517	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)C1(C)CCCCCC1	1949004452	ZSQTVCSBGIDNIQ-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCC[C@]1(N)CCCCC12CCCC2	1949025289	ULBZSXUXRADFOD-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCC[C@](N)(CCCC1(C)CC1)[C@@H]1CC1(C)C	1949053837	HZYXYLCTPLFEIB-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC[C@H](C)CC1)[C@H](C)CC	1950929730	JEXDACGRZPZBFG-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H]1CCC[C@H](C)CC1	1950931863	ZWBFICBRBYPBEW-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)NC1CC2(C1)CC(C)(C)C2	1950989403	QGPNXPKZNGQCKE-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CC=CCCc1ccc(Oc2ccccc2)cc1	1951317481	XDTOQBWEJGXNAH-UHFFFAOYSA-N	238.330	4.988	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1cc(C)c(Cl)s1	1960259970	YYFDOFMWKHGQHO-PSASIEDQSA-N	245.819	4.536	0	10	BJAE	
Cc1ccc(CNC2(C)CCCCCC2)c(C)c1	1963046515	AGDVUCOHAVFOAR-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CCCC[C@@H](CC)CN(C)C[C@@H](C)CCC	1964259461	SPCPJXFSVHEMRF-LSDHHAIUSA-N	227.436	4.571	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1ccc(F)c(F)c1	1968305646	FVXMUCQIQRPFBF-LLVKDONJSA-N	241.325	4.592	0	10	BJAE	
Cc1cc(F)ccc1NCC1CCC2(CC1)CC2	1968361414	LETMUGBSFAHZDA-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CCCCC1CC(N[C@H](C)c2cccc(C)c2)C1	1969839406	PUFMEVYPUABBFW-HPUBIQBYSA-N	245.410	4.614	0	10	BJAE	
C1CCCCN(C[C@H]2CCC3(CC3)C2)CCCC1	1970134083	HCHUOWAYNWDIDR-INIZCTEOSA-N	249.442	4.613	0	10	BJAE	
CCCC1(CN[C@@H](C)C2CC3(CCC3)C2)CCC1	1971567321	NIJXXHFWTXERNC-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](C)(CC=C(C)C)CNC(C)(C)C	1978648000	NPQIVYKLTQRERW-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC(C)(C)CCCC(=O)CC1(C)CCCC1	1980380545	OFBAWYMSAUOMCO-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
Clc1cccc(CC2CC(=C3CCC3)C2)c1	1985534114	FCVBVPWLSDAZPJ-UHFFFAOYSA-N	232.754	4.773	0	10	BJAE	
C=CC=CCCc1sc2ccccc2c1C	1987578547	NBEGSVMHQFBYCP-UHFFFAOYSA-N	228.360	4.885	0	10	BJAE	
CC(C)[C@H](C)Cn1ccc2cc(Cl)ccc21	1988295871	QVYXFSSMOURWHP-LLVKDONJSA-N	235.758	4.587	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C2(C)CCCCC2)C1	2000039268	VNCFTZXKDUCPIW-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCC(=O)C[C@H](C)c1ccccc1	2000190411	MZHWXXPTTLYIQA-AWEZNQCLSA-N	232.367	4.576	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@H]1CCCC(F)(F)C1	2000213908	RAQSTQNKLDYINV-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCCN(CCCC)C1C[C@@H](C)C[C@H](C)C1	2000903504	RQFRMIIGXAXUTI-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCN(CCC(C)=C(C)C)c1ccc(C)cc1	2000907413	WEQWTKVSWCGZOR-UHFFFAOYSA-N	231.383	4.568	0	10	BJAE	
CCCC[C@@]1(CNC(C)(C)C)CCC12CCC2	2001852704	XDSICRBUYCLURI-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C[C@H]1CCC12CCC2)NCCC	2001858769	FYROUGUDDMQKBG-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)C(=O)c1ccc(C(F)F)o1	2002039014	XKSQUBFWFAEWQZ-UHFFFAOYSA-N	244.281	4.616	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(N)[C@@H]1CCC[C@@H](C)C1	2003013971	AFLGNHPXEZGPGA-QXSJWSMHSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCCC2(CC2)C1)C(C)(C)C	2003274886	HLJDQKHJCFWKGM-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@]1(CNC(C)(C)C)CCCCC1(C)C	2005599593	ZGILSOPOZZULFG-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1C[C@@H](C)C1CCCCC1	2006986816	FQGHYGRELARQMR-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCC1(C)CC1)NCCC	2009548522	QFANZGXCFIMNAH-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCCCC1CC(NCCCC(C)(C)C)C1	2009715415	FCPHUOZPKPSNLF-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCCCC1CC(NC[C@H](C)C(C)(C)C)C1	2009717884	PMFDNEJWXMWLOP-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1CC(NC[C@@H](C)C(C)(C)C)C1	2009717885	PMFDNEJWXMWLOP-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1=CC[C@@H](C)CC1)C(C)(C)C	2010626804	SHGDRRJHHJUFLT-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C1=CC[C@H](C(C)C)CC1	2010720891	PDNCYUXMZQHOTN-OFQRWUPVSA-N	237.431	4.523	0	10	BJAE	
C=C=CCC[C@@H](NCC)[C@@H](CCC)CC(C)C	2010995971	VICMYTVOIIATAL-JKSUJKDBSA-N	237.431	4.548	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@](C)(N)C2(C)CCCC2)C1	2014341243	XMWUYHXWIHDSCT-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)CNCCC(C(C)C)C(C)C	2015361077	PDOIARCOVXJMGQ-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CC(C)C(C[C@@](C)(N)CCC(C)(C)C)C(C)C	2015407417	AQYXAOLOLMVKFL-INIZCTEOSA-N	241.463	4.848	0	10	BJAE	
C[C@H]1CC[C@H](CC2(C(C)(C)C)CCC2)C(=O)C1	2017125205	ZILMJPBSQVFLMP-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2CC[C@H](C)CC2)CCC1	2017126648	DQYBSFKWZFFBGM-HDJSIYSDSA-N	236.399	4.598	0	10	BJAE	
CC1(CCCC(=O)C2(C(C)(C)C)CCC2)CC1	2017132129	ZHDJBNSVXSPCBJ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@H](CC[C@H]1C[C@H]1C)NCCC	2017242275	KHTJNQMDKSWMRN-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)C1CCCCCCC1	2017486399	KDKNSJVOKBATPU-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](C[C@H]1CC[C@H](CC)CC1)NCC	2017729630	YSGPVBXWKDJBOW-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@@]2(CN)CCCC(C)(C)C2)CC1	2018985323	OQLBIMZZBAFGFY-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)CCC1=CCCCC1	2019341889	FXVMYZSPHBLHQS-CQSZACIVSA-N	237.431	4.633	0	10	BJAE	
CCC1(CC)CCC(N(C)[C@H](C)C(C)C)CC1	2019383461	BMWBGFOMLIAGPM-CQSZACIVSA-N	239.447	4.712	0	10	BJAE	
Cc1ccc([C@H](C)N(C)[C@@H]2C=CCCCC2)s1	2019532404	LMLXBVXAUQYSNL-UONOGXRCSA-N	249.423	4.548	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@H]1C=CCCCC1	2019542012	GPERXXWYDWSEIP-INIZCTEOSA-N	237.431	4.632	0	10	BJAE	
CC=C(CC)[C@@H](O)C1CC(C)(C)CC(C)(C)C1	2020974839	UWKCOQRGBCBBAL-CQSZACIVSA-N	238.415	4.556	0	10	BJAE	
C[C@H](Nc1ccccc1C1CC1)c1ccsc1	2021026077	KDPUDFLLZBYJER-NSHDSACASA-N	243.375	4.799	0	10	BJAE	
CC(C)=C(C)CNc1ccccc1C1CCC1	2021027242	TWVFJTAAWKMIGU-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
c1ccc(C2CCC2)c(NCCC2CCC2)c1	2021027916	IKLXURKGOVOAQP-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC(C)CCCCC=C[C@@]1(C)CNC(C)(C)C1	2022133821	XYKPCKWSKOBKIR-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNC1CCCCCCCC1	2022394133	NLXSMFRDAPAVAP-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1C[C@@H]1C1CCCC1	2022413444	DQYYXKGZNUTUOQ-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H]1C[C@@H]1C(C)C)C(C)(C)C	2022553802	JBEYECTYWOBPFM-UMVBOHGHSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](C[C@@H](C)CC(C)(C)C)[C@H]1CC[C@@H](N)CC1	2023551563	UVYUXEIEOGDEEV-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@@H]1CCCC(C)(C)C1	2024101585	LXRZVXXXRQWKLQ-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](N[C@H]1CC[C@@H](CC)C1)C1CCCC1	2025594494	CFVBKVWTSVTRCU-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H]1CC[C@@H](C(C)C)C1	2025616100	YLSXYWNLWUKGMH-XHSDSOJGSA-N	239.447	4.568	0	10	BJAE	
CC[C@H]1C[C@@H]1Cc1nc(C2CCCCC2)cs1	2026597098	JUZMCVGGUYPICZ-WCQYABFASA-N	249.423	4.779	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)C1(C)C(C)(C)C1(C)C	2027149965	FKXOLLINBDOIIB-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@H](O)Cc1ccccc1C(C)C	2027462577	HBKGMVRBNZISIM-MRXNPFEDSA-N	248.410	4.684	0	10	BJAE	
N[C@]1(CCCC2CCC2)CC[C@H]2CCCC[C@H]2C1	2028487264	SYTKBCMQURKTMB-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](NC)c1ccc(C2CC2)cc1	2028594608	YQLZVGLPUAPVGF-SJORKVTESA-N	245.410	4.507	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)CCCCCC1CC1	2028633326	HREJHZPKJOLQBS-HNNXBMFYSA-N	245.410	4.650	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]32)CC1	2028786402	KIXSXNBWJYSYIC-UIEKQHFFSA-N	248.410	4.598	0	10	BJAE	
C1CCC(CCNCC2(C3CCCC3)CC2)CC1	2029738007	LQIZAWQDLVLMPO-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC[C@@H]1NCC1(C2CCCCC2)CC1	2029742029	KKZUXXYRSUDLLO-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1cccc(C2CC2)c1	2029838877	VFGOQSAJFMSFQF-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)[C@H]1CC12CCC2	2032136328	SPKSOJUQHLHJPX-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3CCCC[C@H]32)ccc1F	2034264093	PJPYSSSCMFASMN-XNRPHZJLSA-N	247.357	4.515	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC[C@@H]1C(C)C	2035401730	YZZHYRAMYNJRII-CVEARBPZSA-N	245.410	4.794	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)c1ccccc1C	2035418519	BCVKGLKAVGKFDX-BFYDXBDKSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)C1	2035866693	ZKWCZRTURLWOSR-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
N[C@@]1(CCC2CCCCC2)CCCCC12CCC2	2035921716	DNFIXWAJVPBCRQ-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)C1CC2(CC2)C1	2036187452	BQRBMCKFNURYQL-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@H](NC1CCCCCC1)C2	2036667604	SQIHOMIUEYVMHO-HYVNUMGLSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@H]1CC(C)=C[C@@H](C)C1	2037043870	KWIZKINVDAQAOY-FYNNLBNCSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@H]1CC[C@H]2C[C@H]2C1	2037130038	KKYUHPQOSBOYDJ-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)[C@@H]1CCC2(CCCC2)C1	2037677588	FIOASFBZSBZHQT-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c2[nH]c(C(C)(C)C(C)(C)C)nc12	2038005006	ODPRSOYNCXLXNK-UHFFFAOYSA-N	244.382	4.503	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)[C@@H]1CC12CCCCC2	2039081055	GOQRPBHWDGIQDE-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@@H](N)CCC1=CCCCC1	2039431456	DPRFUWDAKPMOFZ-HYVNUMGLSA-N	247.426	4.587	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC(C)(C)C1)C1(C)CC=CC1	2042023857	GDDNXXVAMZJFMP-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@]1(CNCC(C)C)CC=CCC1	2042086251	CMNUYPUXRMLZFB-KRWDZBQOSA-N	249.442	4.705	0	10	BJAE	
CCC1(CC)CCCN1C[C@H]1CCC=CCCC1	2045308292	STBFQCFJEAPQIC-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC1[C@@H]2CCCCC[C@@H]12	2048447389	VKSNPRSFRBEEBJ-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC2[C@@H]3CCCCC[C@@H]23)CC1	2049636750	OHDXJOHTMHOVMY-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1[C@H](O)CC[C@@H]1C=CCCCC1	2050438323	KBNFMBDCUINGBB-NVXWUHKLSA-N	244.378	4.555	0	10	BJAE	
CCNC[C@@]1(C2CCCCCC2)CCCC12CC2	2053354946	HMZFLLIAFHKLMZ-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(C[C@@H]2C[C@@H](C)C[C@@H](C)C2)C1	2054989975	YZDMSSYWKGFOOH-ALYAQQCSSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@@H]1C=CCCC1(C)C	2055545249	UGQBXDPFPFVCAA-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@@H](NCC2(C)CCC3(CC2)CC3)C1	2056537195	VDFLEEVPRVKECM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@]1(C)C=CCCC1	2059181530	UIHNGGOQBXOQEG-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1[C@@H]2CCCCC[C@@H]12	2059250083	NGAYHSQVLLMXPW-WQHDIMKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCC[C@H](C(C)C)C2)CC1	2061114534	YZUPIPGWRPHUSE-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@@H](NCCC)C1(C)CCC(C)CC1	2061562008	YOOWDGCDNCSSDV-AQFXKWCLSA-N	249.442	4.692	0	10	BJAE	
CN[C@H](CC[C@]12CCC[C@@H]1C2)C1(C)CCCCC1	2061571604	LMSGXOJGJGYQOM-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C(=O)CC1CC(=C2CCC2)C1)C(C)C	2061699461	MVPHMLYVIFQKMD-MRXNPFEDSA-N	248.410	4.908	0	10	BJAE	
N[C@@H](CCC1CCCCC1)CC1CC(=C2CC2)C1	2061730409	HWAFFLTXNYOGAL-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC12CCC(CC1)C2	2065277278	MOUDKAXNRBSMDS-ISXOHVOVSA-N	248.410	4.886	0	10	BJAE	
C1CCCC2(CC1)CCC(NCCC1CC1)CC2	2065893514	ZTCQBYNLRQAFRX-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)C(C)C)c1ccc(C)cc1	2069014671	BGIISEZMSSTZDG-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CCCC1(CN2CCCCC23CCCC3)CCC1	2069279209	TWIGEJJENSTKLS-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCCC1(CC2(N)C[C@H]3CCCC[C@@H]3C2)CCC1	2069341291	DDSATHJLHLIZKI-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCc1cc(N[C@H]2CC[C@H]2C2CCC2)ccc1C	2071786647	OKZDOVCARMZBDC-IRXDYDNUSA-N	243.394	4.548	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1C)C1=CC[C@@H](CC)CC1	2072096481	UDDVTGKXSQFTPL-XOSAIJSUSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)c1ccc(CC(C)C)cc1	2072423276	HELONOWDZWUQFM-KRWDZBQOSA-N	245.410	4.502	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC2C[C@H]3C[C@@H]3C2)CC1	2072682873	YPVQKPHSBCFIFB-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CN(C[C@@]12CCCC[C@@H]1C2)C1CCCCCCC1	2074057151	XVEHYGNSCZHPCM-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@]12CCCC[C@@H]1C2	2074094109	JOBSNOVAJCPGMD-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@@H]1CC(C)=C[C@@H](C)C1	2074629747	SERDLVFCSAPNOW-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
Cc1c(F)cccc1C(=O)[C@@H]1CCC[C@@H](C)CC1	2077846181	VZPOCFJZLSLJLX-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
CCCCc1ccc([C@@](O)(CC)CCCC)cc1	2077926434	ZZVMEVSVRLSNSU-QGZVFWFLSA-N	248.410	4.817	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@H]2CCC[C@H]2C)o1	2077980191	ZYFAOHZXIPARND-OCCSQVGLSA-N	248.366	4.631	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)C1CCCC1	2079530181	NMYCPBDFSLKMSN-IXDOHACOSA-N	249.442	4.514	0	10	BJAE	
CC1(NC[C@H]2C[C@@H]2C2CCCCCC2)CCCC1	2079650843	MVZIALZMZMCLMU-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@@H]1C[C@H]1C1CCCC1	2079842179	MYNKRPUYLOIZLI-YCPHGPKFSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@@H]2C2CCCCC2)C1	2079864353	MHXSDWINTIBLOV-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@@]1(N)CCC2(CCCC2)C1	2079885979	MTRONXCNLIPXPS-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCC[C@H]2CCCC[C@H]21	2081139116	AAHJUFUDFBHOBV-BFYDXBDKSA-N	243.394	4.766	0	10	BJAE	
CC(C)NCC1([C@H]2C=CCC2)CCCCCCC1	2081681737	DWUBVZPZIYYPMX-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)C[C@@H]3CCC[C@@H]3C2)C1	2082977512	ZTPXCPZIDQKDDC-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](N)c2cccc(C(C)(C)C)c2)CCC1	2083550367	MXIYGGXHXFFJNY-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H](C(=O)c1sc(C)c(C)c1C)C(C)C	2211702691	UIDCHMSZEFVCPO-GFCCVEGCSA-N	238.396	4.538	0	10	BJAE	
CC(C)NCC(C)(C)CCCCCCC1CC1	2213577222	ZJZKHUGXWBZFIK-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)CC1(C)CC1	2214566116	STALPQKNXHMHTA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@H](CC[C@@H]1C[C@H]1CC)NC	2215255137	QNPFOUJGOXYSGI-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1c(C)cccc1C	2216065938	QDHKYXZIDLTZEO-HOCLYGCPSA-N	233.399	4.520	0	10	BJAE	
CCC(O)(CC)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216744323	JTGFJYQUTKNNFQ-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CNCC1(CCCCCCCC2CC2)CCC1	2216861429	VEIDGFUJXQLTQC-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@@](CC)(CN[C@@H](C)CC)CC(F)F	2217125208	NMZQSYHODXOJHW-GXTWGEPZSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](C)NCC(CC)(CC)CC1CCCC1	2217154724	WPDXEHIWGCEHRZ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1C[C@H]2CC[C@H]1C2	2217276626	XOVNMPLLMYHNJT-ITDIGPHOSA-N	249.785	4.503	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218335387	XBRCRZWKLSJNFL-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1ccc(CC(C)C)cc1	2218646907	ICLBGRNNIKFESU-MRXNPFEDSA-N	248.410	4.745	0	10	BJAE	
COC[C@H]1CC[C@H](CCC=Cc2ccccc2)C1	2219069742	LFIBXTHHQWPTFU-IRXDYDNUSA-N	244.378	4.543	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@@H]1C1CCCC1)C1CCCCC1	2220289326	WCIHIOHBTWRFBO-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1c(C)cccc1OC	2220294825	QKYQPRLSVCAVGK-GXTWGEPZSA-N	249.398	4.630	0	10	BJAE	
CCCCCc1ccc(NC[C@@H]2CC[C@H]2C)cc1	2220549176	IDLACUQLNFDIBF-ZBFHGGJFSA-N	245.410	4.877	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C1(C)CC2(CCC2)C1	2221004408	WVKDGBSDPJBYNV-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(NC[C@@H]2CCC=CCCC2)CC1	2221598361	AUOPRNGVZDIJIX-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1CC=C(C)CC1	2221655669	VJFMQWFXGNJBNJ-DLBZAZTESA-N	249.442	4.824	0	10	BJAE	
CC1=CC[C@@](CNC(C)C)([C@@H]2CCC2(C)C)CC1	2221666256	XQOHTFBGDOFYRY-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CC[C@H](C)C2)CC=C(C)CC1	2221666707	JDHCQLVQRMVVSB-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CNCCC=C(C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222971246	GZNOODMOLACYCF-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCCC1(CNC2CCC2)CC2(CC(C)(C)C2)C1	2223591842	AANZNZAVODRHKB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@H](C)c1ccc(C)cc1	2223967050	BLDLFBDTKJIRDS-NVXWUHKLSA-N	245.410	4.562	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)c1cccc2ccoc12	2224182046	SSBYMXCPRBTOTD-AWEZNQCLSA-N	245.366	4.520	0	10	BJAE	
CC1(c2ccc(C/C=C/c3ccccc3)cc2)CC1	2226207439	NOWBEYIAEYTERQ-VMPITWQZSA-N	248.369	4.994	0	10	BJAE	
CCCCC(=O)CCC[C@@H]1CCC[C@@H](C)C1	2242763589	QBHCUZKMBUSPSM-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
Cc1ccc(Cl)cc1NC1CCC=CCC1	2244136080	JNPUUKYKWCIONM-UHFFFAOYSA-N	235.758	4.559	0	10	BJAE	
CCCCCC(=O)c1ccc2ccsc2c1	2246128079	YORCUAOUOVQTRM-UHFFFAOYSA-N	232.348	4.664	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1(C)CC(C)C1)NC	2246586546	RHFDLHOGJFBAOT-LVDPKSTMSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@H](O)CC[C@H]1CCCCC12CC2	2246626846	MTXMCDLXXYKHEL-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@H](O)CC[C@@H]2CCC[C@@H](C)C2)CCC1	2246696541	RTCVYUAVHKDXOJ-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC1CC2(CCCC2)C1	2246822534	WBICEDPROLEJIJ-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CCCC[C@@H]1C[C@H]1C	2247114234	GYEBBUMNKADNIU-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCCC[C@H]2C[C@H]2C)C1	2247124245	ZQUNFQLSEVTAHB-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](CC1=CCCCC1)NC	2247529968	RMFMBKZTFPZSLC-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1CCC1(C)C	2248817828	XJAZJNXYEWRSHY-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)[C@H](CCCCC[C@H]1C[C@H]1C)NC	2248822894	UHBRHYZJNRNHSG-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CCCCC[C@H]1C[C@H]1C)C1CCC1	2248876669	CGLAOWRHVJKYMO-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H]1Nc1cccc(C(C)(C)C)c1	2249256983	AIRQRLFFLUGYAS-SWLSCSKDSA-N	231.383	4.585	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](CN)C1CCC1	2250495241	GHYLWSQMFXNNJT-ZBFHGGJFSA-N	239.447	4.604	0	10	BJAE	
Cc1cccc(-c2nc([C@H]3CC3(C)C)cs2)c1	2252739584	JVCDJQITUYJBEG-GFCCVEGCSA-N	243.375	4.632	0	10	BJAE	
CC1(C[C@@H]2CN[C@@H]3CCCC[C@H]3C2)CCCCC1	2253805233	FZXWHYBFHTVBFH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)C2(CC3CC3)CC2)C1	2253910700	LKULTIVBSXVQGD-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@H]2CC23CCCCC3)C1	2253964210	UCVZZVOFVHWMPZ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CC2CC3(CCCC3)C2)C1	2254081522	CILSCIHRCJUDGK-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@H](O)CCCCC[C@@H]2C[C@H]2C)cc1	2254544576	QCRNGFSIHUPPSH-DJIMGWMZSA-N	246.394	4.635	0	10	BJAE	
CCCc1ccc([C@H](NC)[C@@H](C)[C@@H](C)CC)cc1	2256300435	GRXMMNYMILAOLN-GRDNDAEWSA-N	247.426	4.582	0	10	BJAE	
CC[C@]1(CC2CC3(CC(C)C3)C2)CCCCCN1	2259562665	HNHWLGUMBDTNQE-VKFIQFPUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)C[C@]12CCCC[C@@H]1CC2	2260577611	GQQVXOCKPRPZBT-RHSMWYFYSA-N	242.362	4.538	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@]12CCC[C@@H]1CC2	2260620048	MYVGVBKTQWKYGJ-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@]23CCC[C@H]2CC3)C1	2260672166	OAYCGBYKGXODLR-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](C)CCCC(C)C)[C@H]1C	2298841654	JKIOLJJYNAHWAD-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
CCCC1CCC(C(=O)[C@H](C)CC2CC2)CC1	2298886916	MIUMGDNJXURMQS-DNOWBOINSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H]1CCCCC1(C)C	2300676367	NSTTWZHZXJFJTJ-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H](C)C1CCCCC1	2300684564	VYKRPMBJLHUQRG-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC(=CCC[C@@H](O)CC(C)C)CCCC(C)C	2300862569	FVGUMVKTJHYHOG-MRXNPFEDSA-N	240.431	4.946	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CCC1CC(C)C1	2300908304	BVIFUJAVLARVJT-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@]1(O)C[C@H](C)[C@H]1C)CCCC(C)C	2300911024	FXBKPFCLLPTCCS-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCN[C@@H](CC=C(C)CCCC(C)C)C(C)C	2300937200	MGRAMAWAJRHGEA-INIZCTEOSA-N	239.447	4.783	0	10	BJAE	
CCN[C@H]([C@H](C)[C@H](C)C(C)C)[C@H](C)C(C)(C)C	2301836766	OVBVYIIBFAZTSQ-APIJFGDWSA-N	241.463	4.575	0	10	BJAE	
O[C@H](C=C1CCCCC1)CCC1=CCCCC1	2301936084	SIGRCMQXJDPXNZ-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
CC(C)C1(C(=O)CCCC2=CCCCC2)CC1	2302300044	ILXZXZJWJLDXMG-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](CNC(C)(C)C)C[C@@H]1CCC(C)(C)C1	2302709933	MGLBWIXFPLCSRV-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(O)CCCC(C)(C)C2)C1	2302723843	WQUQTUZTJKFMRO-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CC(=O)c1cc(C)ccc1C(C)C	2307504268	YGIKMFCMOZYGRJ-LBPRGKRZSA-N	232.367	4.737	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@@]1(C)CC=CCC1	2307905560	ZWSMMUWLBXZWTC-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1(CC2CC2)CCC1	2307907511	CQWDNZWKXPWQFN-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1[C@H]2CCCCC[C@H]21	2307923519	KJTPXWHCZLCOHA-AYDFFVQHSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@@H]1C)[C@@]1(C)C=CCC1	2310436189	FLOKEISFHVDGQB-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]2C2CCCCCC2)C1	2311538659	GFHTWZBFXIKNBN-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C)C(C)=C[C@@H]1C[C@H]1C1CCCCC1	2311577936	RCJAYMPFDBKOOG-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	2313032612	CMGUGUOCJDHFCO-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCN[C@@]2(C)CC)CC1	2315203342	QGLLWQYVVJUNSJ-ZOBUZTSGSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1[C@](C)(O)CC1CCCCCC1	2316858618	MJZLECPAXTVRQV-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
C[C@H]1[C@H](Nc2cccc3ccccc23)CC1(C)C	2318173765	AIRCUJCULLMLME-BLLLJJGKSA-N	239.362	4.686	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CC(C)(C)[C@@H]2C)c1	2318181354	DLBYKGMFOTWLMQ-MLGOLLRUSA-N	245.410	4.658	0	10	BJAE	
NC1(CC[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCCC1	2318866161	CIMMPEKNGRCDNW-MUJYYYPQSA-N	249.442	4.645	0	10	BJAE	
CCCc1cccc([C@@H](N)CCCCC2CC2)c1	2318888387	NAFIRLXMOZEMBL-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)C[C@@H]2CCC(C)(C)C2)c1	2319314018	QYCCTUXACOXKPE-HOCLYGCPSA-N	246.394	4.553	0	10	BJAE	
Cc1cccc([C@@H](O)CC[C@@H]2CCC(C)(C)C2)c1	2319325975	KOEHGIQHBCBRHE-ZBFHGGJFSA-N	246.394	4.635	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CC[C@@H]2C(C)(C)C)c1C	2320213425	MDHFRRXYUGNFMN-CABCVRRESA-N	244.378	4.558	0	10	BJAE	
CC1=C(C)C[C@@](N)(C[C@@H]2CCCC(C)(C)C2)CC1	2320265319	HXGLPJVSMHAOHU-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
Cc1cccc(N(C)C[C@@H]2CC[C@H]2C(C)(C)C)c1	2320310536	IWWBYPRGXOQTCA-GOEBONIOSA-N	245.410	4.504	0	10	BJAE	
CC1=C(C)C[C@@H](CNC2(C)C(C)(C)C2(C)C)CC1	2320413080	MEUKSAGGXYYMLW-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)C(=O)Cc1cccc(C(C)C)c1	2320665321	BPQWQXPABVCPRP-HNNXBMFYSA-N	246.394	4.748	0	10	BJAE	
CC1(C(=O)[C@@H](CC2CC2)C2CC2)CCCCCC1	2320817653	XPXYSUABAVXXGU-HNNXBMFYSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C12CC(CC(C)C)(C1)C2	2321585083	UHHGPUVKJRPIBD-VXLLPVPCSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c([C@@H](C)NC2CCCCC2)cc1C	20001194	OPQUSEGMYXTIHF-OAHLLOKOSA-N	245.410	4.595	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C)c(C)c1	21511655	FABBMIVEQDHIDF-QRTARXTBSA-N	245.410	4.533	0	10	BJAE	
CC[C@@H](Nc1cccc(Cl)c1C)c1ccco1	54082580	ZCWFOEACUHTURC-GFCCVEGCSA-N	249.741	4.805	0	10	BJAE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC1CCCCCC1	80125380	VFOJTEXOCPJZRX-YSVLISHTSA-N	249.442	4.514	0	10	BJAE	
CC(=O)CC(C)(C)C[C@@H]1CCCc2ccccc21	84415941	MJKHRZIBINSMJV-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(C)CCCCCN1	85874634	BUCPOSFMNRORNV-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCc2ccccc2)CC1	86922017	ZEECWETZYCYNCD-RDJZCZTQSA-N	245.410	4.525	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1cscc1C	87288193	GRINEBBGPGIFQK-OCCSQVGLSA-N	240.412	4.696	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC(CC(C)C)CC(C)C	88293217	SGHOUAGPPRNQCI-GJZGRUSLSA-N	241.463	4.862	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](CC(C)C)NC)cc1	90483275	CDJGIZSRXSSEIL-INIZCTEOSA-N	247.426	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Sc1cccc(N)c1C	91941718	IJXIVYVIDMIGLW-DOMZBBRYSA-N	249.423	4.638	0	10	BJAE	
CC[C@H]1CCC[C@H](Sc2cccc(C)c2N)C1	91945068	LDPBFAFWYOORLM-STQMWFEESA-N	249.423	4.638	0	10	BJAE	
CCN[C@H]1CC(C)(C)c2ccc([C@@H](C)CC)cc21	94270530	LGQNMHOYLVWXIP-LRDDRELGSA-N	245.410	4.532	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@@H]1CCC(C)(C)C	109661696	GPNSSFNANYWDOB-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCOc1ccc(N[C@H](C)CCC(C)C)c(C)c1	109914697	IPTNHWXAWHKWAV-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CCCN[C@@H](c1coc2ccccc12)C(C)(C)C	123063532	LBHRFLKKUMJOKJ-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C(CC)CC	126135675	AWQUPEVMOLFFJO-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)c1cc(C)cc(C)c1	132615307	HOICIIAIHNMYTQ-LSDHHAIUSA-N	247.426	4.779	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@@H](C)C2CCC2)cc1	137719120	JWJYWXKQFKUQKI-UONOGXRCSA-N	245.410	4.649	0	10	BJAE	
CCC(CC)C[C@@H]1CCC[C@H]1CNC(C)(C)C	150078682	PFENWDKLBYCANB-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1C(C)(C)C1(C)C	164252966	PITNYUCIBWFYNV-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](C)CC(=O)CCC1CCCCC1	168018924	JIKYFQOIALSBJX-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2ccccc2C2CCC2)C1	168877030	OMBGLAJIMAAJGQ-JSGCOSHPSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCC[C@H](C3CC3)C2)C1	227175847	VIVGWWQKJWGTPM-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](NCCC)C1	227718372	FJIMLMYXKZBUTD-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C[C@H](C)CC(C)(C)C)c1	229472912	XVQRLWMRGPROQB-GOEBONIOSA-N	247.426	4.766	0	10	BJAE	
CCC1(Nc2ccc3ccccc3c2)CCC1	229509841	NKBLAQVBCLIBKF-UHFFFAOYSA-N	225.335	4.584	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)[C@@H](C)c1ccccc1	233127824	VHZBYFWASWDNLT-VYDXJSESSA-N	247.426	4.595	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1CNc2c(C)cc(C)cc21	233274712	HADOUGBRFHYEPW-BXUZGUMPSA-N	231.383	4.639	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1c1ccc2c(c1)NCCC2	233924988	RYSXWHJLUUCJBE-CZUORRHYSA-N	243.394	4.729	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)c1csc(C)c1	300841661	JVSFVOPIVQMJQM-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCCC(CCC)[C@H](O)CCC1CCCCC1	302253082	LJOPNLNOFHDWCP-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1C[C@H](C(C)C)CCC1=O	304178034	OHZWRZTXWPTJJT-RRFJBIMHSA-N	238.415	4.700	0	10	BJAE	
CCc1ccccc1[C@H](N)CCC1CCCCC1	305904560	CFOSILQYSSLVGR-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1ccc(C2CCC2)cc1	305958956	WJVRDZORHPPBEG-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCc1cccc([C@@H](NC)[C@@H](CC)CC(C)C)c1	308078952	YDBOCWGMOOHOFS-RDJZCZTQSA-N	247.426	4.582	0	10	BJAE	
C[C@H]1CCC[C@H](CCCC(=O)C(C)(C)C)C1	309454822	PIZVGLCEWXCQDS-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H](C)C1)[C@H](C)CC	310143383	NMLDBWDQJFNAIY-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)(C)C)CC1(C)CCC1	310507199	KUQOCDNPNXNHEC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](N)c2ccc([C@H](C)CC)cc2)CC1	310948454	QIJJOPTWUWOSIX-CZUORRHYSA-N	245.410	4.780	0	10	BJAE	
CC(C)CCCCC[C@@]1(C)CCC[C@@]1(C)O	313158208	VDZTUEUYHGGVCC-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)c(F)c1)C1CCC1	322299175	UEYPGGQZAQBUGC-OAHLLOKOSA-N	235.346	4.515	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC(C)(C)CC1)C1CC1	324513428	IWUFAOMKCIZKCY-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCCC1(NCCC2CCCCC2)CCCC1	382246462	CPNYOPPNVCOMGH-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)CCCCCC(C)C)C1	383237713	IGBPVKRJMYIJOA-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CCCCCC(C)C)C1CCCCC1	383312022	VZSZLTOEKLDLGE-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)[C@H]1CC1(C)C	383320496	XOZGTXKBQFSEFI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC[C@H](N)c1ccccc1	383372909	JYSYFWNRXLASIE-INIZCTEOSA-N	233.399	4.683	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCCC1=CCCCC1	384124743	HXHJUBQUJKGDFE-AWEZNQCLSA-N	237.431	4.681	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)c1ccc(C)s1	384893335	YYCGPGFXCYGBSP-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)[C@@H]1C[C@H]1CC	387677074	OTGIEVQXXOECAN-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)c1ccsc1	394229510	LJVFFKQMXSWKLX-TZMCWYRMSA-N	240.412	4.562	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@H](C)c1ccccc1	395113985	DVIWOVMQAQSXGC-GOEBONIOSA-N	248.410	4.758	0	10	BJAE	
CCOc1c(C(F)F)c(C)cc2ccsc12	396241964	MLFDECVVDIZLNL-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1cc2c(C(F)(F)F)csc2cc1F	396289758	AYFKGIQGYUIHGM-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1ccc2c(F)csc2c1C(F)(F)F	396295256	IRAWOPBSZWALJQ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CSc1csc2ccc(C(F)F)c(C)c12	396404870	KKJKTXLWJNPHGL-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cccc(C3CC3)c2)C1	690078103	VAPSCUYYBHPDKK-XJKSGUPXSA-N	243.394	4.945	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@@H](C)C1CCC1	692761572	UASXTUYDBWJNGS-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCC(C)(C)CC)C1	696752150	XCASFEGFBCHYBQ-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)CCOc1cccc(Cl)c1	696786188	QEOSAFWWTYARDM-UHFFFAOYSA-N	226.747	4.545	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1cc(F)ccc1C	697770620	FJRRRHUWSCWGJP-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCN[C@H]([C@H](C)c1ccccc1)C(C)(CC)CC	701175101	UWFPXQFNWOUXPF-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
CC(C)CCC[C@@]1(N)CCCC12CCCCC2	704436261	NVHCOOGWJXHRRL-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC[C@](N)(CCC1CCCC1)C1CC1	704833346	FOIBEFYPDBWLEO-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1O[C@H]1CCCC[C@@H]1C	704921873	HPCLFFQSOVXVMA-ZFWWWQNUSA-N	232.367	4.768	0	10	BJAE	
CCCC[C@H](CC)C[C@@](N)(CCC)C1CCC1	705367207	FCAUZEPGEUXDLS-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)CC(C)(C)C	707700526	YHSWKWUCICLRNI-HIFRSBDPSA-N	227.436	4.747	0	10	BJAE	
CCC1(CNC[C@@H](C)CC(C)(C)C)CCCC1	709127352	QGLBLWZGEZVIOT-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
C[C@H](NC1CCC(C)(C)CC1)[C@@]12CCCC[C@H]1C2	709155618	SYWBDNMMFYOVAE-ZQIUZPCESA-N	249.442	4.514	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cs1	710727725	GQOMQZJOKVNLBX-MGPQQGTHSA-N	249.423	4.827	0	10	BJAE	
c1cc(N[C@H]2C[C@@H]3CCCC[C@@H]32)cc(C2CC2)c1	712500303	CEUYBJPJIMQPLL-XIRDDKMYSA-N	241.378	4.555	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CC(C)(C)CC[C@H]2C)c1	713056446	DGKIFNKCDPFOOX-ZBFHGGJFSA-N	245.410	4.930	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)CC(C)(C)C(C)C	713130982	DTKVDWGQFPNTIT-GXDHUFHOSA-N	239.447	4.783	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)c1ccc(C2CC2)s1	716615872	DVRPRPCAEXEDNM-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCC2(CC2)C1	723561062	WHFAIMLNOJULEZ-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1c(C)csc1C	724960301	CJPRUYONLPMZSV-TZMCWYRMSA-N	239.428	4.581	0	10	BJAE	
CCCCC[C@@H](C)NCc1ccc(CCC)cc1	1177148266	BNXYRKNUPWTTPZ-OAHLLOKOSA-N	247.426	4.698	0	10	BJAE	
CC[C@@H](C)CSC[C@H]1CCCCC1(F)F	1307317229	DTMWYCVJMHOPCO-GHMZBOCLSA-N	236.371	4.591	0	10	BJAE	
CCC1(CC)CCCN([C@@H]2C=CCCCCC2)C1	1559997679	BXCGPPCTKZPDQM-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCC(CC)CCC1(CN)CCCCCC1	1900710907	AXJPEMTYRSGAFQ-UHFFFAOYSA-N	225.420	4.502	0	10	BJAE	
CCCCN(CCCC)[C@@H](C)[C@@H](C)C(C)C	1901718984	AHHZPFSZVFKHAQ-GJZGRUSLSA-N	227.436	4.569	0	10	BJAE	
C[C@@H]1[C@@H](CC2CC(=C3CCC3)C2)CC1(C)C	1901852458	SBOONALQWZHJMG-ABAIWWIYSA-N	218.384	4.949	0	10	BJAE	
CCCCCNc1cccc(C(C)C)c1F	1905169254	HQLHHQCFLOLCAC-UHFFFAOYSA-N	223.335	4.551	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1cccc(Cl)c1	1905391077	PGLYMDQNPDHKDW-BXUZGUMPSA-N	240.774	4.590	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@]1(C)CCCCC1(C)C	1905842429	NWZPTPFASRLXQN-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1C[C@H]1C1CCCCC1	1910660862	HZSXCVDUMUNDMR-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
Cc1ccccc1C(=O)C1CC2(CCCCC2)C1	1912629880	XPVQWJDSVXMXDO-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C1CCCCC1	1913390778	SCICDTMKUZFOEW-OAHLLOKOSA-N	236.399	4.886	0	10	BJAE	
CCCCCC[C@@]1(CNC(C)(C)C)C=CCC1	1916385343	IQQGSMJKGICSBY-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@](O)(CC)CCC[C@@H]1CC1(C)C	1919538924	QJOHBWUYOXKWJO-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@@](O)(CCCC1(C)CC1)c1ccccc1	1919925685	UBWIIWQJRHKUCH-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)C1CC(CCC)C1	1921321510	ZDMHBQINNXAQNT-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@]1(O)CCCCCC1(C)C	1921497412	RYESIHXNYMJGEL-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C[C@H]2C=CCCCC2)C1	1925944590	FJPVUDAWMAAEOB-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC(=O)CC1CCC=CCC1	1926190005	VBRYLDIYIGPNHA-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
C[C@@H]1CC(=C2CCC(C)(C)C[C@@H]2CN)C[C@@H](C)C1	1927148047	UVGZTXVNGWMOFK-KCQAQPDRSA-N	249.442	4.524	0	10	BJAE	
Clc1ccc(CC[C@@H]2C=CCCC2)cc1	1932607101	OMJAAYWODNTVJA-GFCCVEGCSA-N	220.743	4.629	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)C(C)(C)CC	1940405900	BDSRENIRGPLDMV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@]1(CC2(C)CCCCC2)CCCCCN1	1940407076	IDCKFOVGJUUGGA-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)CC1(C)CCCCC1	1940414181	HYYLUYXLPWLJLB-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)[C@@H](CCCC1(C)CC1)NC	1940865381	UIZUCSGMLTWCGK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(O)(CCCC2(C)CC2)CC1	1940867929	DNTGDAQRIDFOIV-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)[C@@H](CC(C)C)C(C)C	1941265303	UIBFHEHSPLWKGG-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](CN[C@H](C)C(C(C)C)C(C)C)C(C)C	1941928636	ILSFBBDTPYXMSD-HUUCEWRRSA-N	241.463	4.575	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1(C)CC(C)(C)C1	1941980342	PQLRTUBLFBMEGH-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@H](C)CCC(C)C	1942656232	LWHCXKSYZFUWFL-OAHLLOKOSA-N	239.447	4.783	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CCC[C@@H]1C)NCC	1944822418	YYUXPPIWJNVSTI-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)CCCCCC2CC2)C1	1945580697	AEQSWWNZPVTIHB-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2sccc2C2CC2)C1	1945812937	XSANKVKKNGDILV-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCCC)[C@H]1CC1(C)C	1945823199	ITPMWKXUMPUHJD-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1cccc2sccc12	1945947796	PNSIRWPUPJWTJF-ABAIWWIYSA-N	247.407	4.598	0	10	BJAE	
CCC1CC(Nc2ccc([C@H](C)CC)cc2)C1	1946980239	UKFACMWZPCLCCD-VEAWUBTESA-N	231.383	4.801	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cccc(F)c1C	1947460770	LDLMGNVWUXVRSP-DOMZBBRYSA-N	235.346	4.515	0	10	BJAE	
CCC1(CC)[C@H](O)[C@H]2CCCCCCCC[C@H]21	1947879060	ASUPDCDEJSHZOU-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)c1ccc(OCCC(C)(F)F)cc1	1947986983	AADIGCQHLUEOTN-LLVKDONJSA-N	242.309	4.624	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(N)[C@@H](C)CC(C)C)C1	1948325108	FGVMUWVCDSGXEY-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C(=O)[C@H]1CCC(C)(C)C1)C(C)C	1949501832	PTJHSKRFDVFGDL-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
C[C@H](CCC(=O)CC1CCCCC1)CC(F)F	1949920707	FJANAJPMJVKEBX-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCC1CCC(NC2C[C@H]3CCCC[C@@H]3C2)CC1	1965874378	NUVKTDRVVJTEOR-LVDPKSTMSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC[C@@]2(C)C=CCCC2)C1	1966038327	SEFYIVFDIMWVRO-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC2(CC(Nc3ccccc3Cl)C2)C1	1968255770	CHRWHEZAGGHHEK-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1CCCC(C)(C)C1	1968269603	COJDUVRCBLRNNL-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
C[C@@H]1CC[C@@H](CNc2ccccc2C(C)(C)C)C1	1968320508	NJQKBCPVCNRICW-ZIAGYGMSSA-N	245.410	4.832	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H](C)C(C)C)cc1	1968369152	SARFDIQXCFPGPQ-KBPBESRZSA-N	234.383	4.871	0	10	BJAE	
CCCc1ccccc1OC[C@@H]1CCC2(CC2)C1	1968624843	UDKLREXRIQDQRG-CQSZACIVSA-N	244.378	4.598	0	10	BJAE	
C1CC[C@H]2C[C@H](NCCC3CCCC3)C[C@H]2CC1	1968855000	AEFJEPPYWKZETJ-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1Nc1ccc(CCF)cc1	1970093955	WCFBYIBBOBJHIC-HNNXBMFYSA-N	249.373	4.579	0	10	BJAE	
CC[C@H]1CCCN([C@@H]2CCC3(CCCC3)C2)CC1	1970296650	OGBZDFYMNZGBQH-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)C(CC)(CC)CC	1978523152	DVPTURXJIZLXRP-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)C1(C)CCC1	1981368779	GGUOYNGSOGCQMF-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]1n1ccc2c(Cl)cccc21	1982610681	CYNMULKMRHRDCU-ZWNOBZJWSA-N	233.742	4.656	0	10	BJAE	
CCCCC[C@@H](NCCC)c1cscc1F	1982841489	ICOJOPGADSYNSY-CYBMUJFWSA-N	243.391	4.508	0	10	BJAE	
CCCCC[C@@H](C)NC1CC(CCCC)C1	1984696090	UMXQUTMYGUGERU-WLYUNCDWSA-N	225.420	4.514	0	10	BJAE	
CC[C@H](CNc1cccc(F)c1Cl)C(C)C	1988764586	MTYZQMHXAKBNAK-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC(CC)CC	1995254045	NGVWBQNVHSWOHM-ZFWWWQNUSA-N	228.420	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2(C)CCCCCC2)C1	1995826853	OFGSRCJJTDLFEC-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1(C)CCCCCC1	1995827599	WJKKNZQTYXVZEM-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)C1CCC(C)(C)CC1	1996560669	GMIWMOPVWIUEJL-XJKSGUPXSA-N	240.431	4.636	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)[C@H](C)CCC(C)C	1996614315	BNVUFPDGEMJIAN-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CCN[C@@]1(C)CCCCC1(C)C	1997427380	WTPCBNHGJUHILC-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccccc1C1CC1	1997739251	VVIDWUFZFJQQET-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@@H]1CCCC(C)(C)C1	2000151679	UVEARJIRJGONAV-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC1(C)CCCC1	2000294747	YECBLAKQLNZRGO-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@@H]1C=CCCC1	2000511552	CTXCYGMPTGUGHW-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@]1(C)CCCC1(F)F	2002576702	OCPSEKPADQAUTC-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCC[C@H](NC1CCCCCCCC1)C1CC1	2003100061	PZTFVDONAMQUFH-INIZCTEOSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@@H](c1ccsc1)[C@@]1(C)C=CCCC1	2003320665	IXEMFJBTSOAYCG-GJZGRUSLSA-N	249.423	4.535	0	10	BJAE	
CN[C@@H](CCC1CCC=CCC1)c1cccs1	2003687335	FJBKXNNRMFSXLV-AWEZNQCLSA-N	249.423	4.535	0	10	BJAE	
CCC1(CC)CCC(O)(CCCC(F)F)CC1	2004352120	KNNPVPZOMAMXRZ-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CCC1(CC)CC(N(C)C[C@H](C)CC(C)C)C1	2009319461	LEIIRALDLUHTTB-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)CC[C@H]1O)C(C)(C)C	2009420126	NEEPPKQWWZPPLZ-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C1(C)CCCCCC1	2009536478	RZFPOBYQKGBGPR-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H]1NC[C@H](C)[C@@H]1C(CCC)CCC	2009774540	YZDXQPYLXXIYNT-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NCC)C1=CC[C@H](CC)CC1	2010721236	ZELBSDOQVVJQEQ-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CC12CCC(CC1)C2	2012825694	YZDDNVZPUMYYNU-SLTAFYQDSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC1CCC=CCC1	2013262289	ASBGFMITYYCFAH-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@H]1C=CCCCC1	2013296601	MCTQNSHFGLJZHP-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCCCN(CC1(CCC)CCC1)[C@@H](C)CC	2015594679	SKSQYPHGBHFMQY-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCCC1(C[C@H](N)[C@H](CC)CC(C)C)CCC1	2015640782	WIHYKLNAJYSWNE-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@]1(C)C[C@H]1C	2016410098	HBPUIDGAOWFZMI-CZUORRHYSA-N	232.367	4.543	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@]1(C)C[C@@H]1C	2016467745	MDUBJUIAFXPKMQ-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)CCNCC1(C(C)(C)C)CCC1	2017146478	SWECPODQIKFGEE-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(F)CNCC1(C)CCCCCCC1	2017461515	LVFHSQGJGKRLES-UHFFFAOYSA-N	241.394	4.590	0	10	BJAE	
CC(C)=C(C)[C@H](O)C1CC(C)(C)CC(C)(C)C1	2017490073	KSYGMUZOXXNGHI-AWEZNQCLSA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCCC[C@@H]1C	2018137981	BBDBUKCMSOBCPW-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CCCNCC1(CC2(CCC)CC2)CCCC1	2018986055	WGGVLIWKAKFLRU-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CCCC(C)(C)C1)C1CC1	2024100589	DMTXFCWDVPTFMP-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@H]1[C@@H](C)CCC[C@H]1NCCC	2024517426	RMAMAEYMGCHWIE-DEOFCCLISA-N	237.431	4.537	0	10	BJAE	
CC1(C[C@]2(CN)CCC=CCCC2)CCCCC1	2027306497	LJHQIOMTTVCYLT-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
CCCCCC[C@@H](N)Cc1ccccc1C(C)C	2027498486	GLHVTTYNQCMEKL-MRXNPFEDSA-N	247.426	4.650	0	10	BJAE	
C[C@H](CCC[C@H]1CC1(C)C)C(=O)c1ccccc1	2027840593	RWIGTBQJUMJNNO-HIFRSBDPSA-N	244.378	4.722	0	10	BJAE	
CCN[C@H](c1ccc(C)c(C)c1)[C@H](CC)C(C)C	2028253342	VYQDMFCDKYAODL-IAGOWNOFSA-N	247.426	4.636	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1ccccc1CC(C)C	2028927721	QMCFWYHHQKXKNJ-DZGCQCFKSA-N	244.378	4.504	0	10	BJAE	
C1CCCC([C@H]2CCN2CCCC2CCC2)CC1	2031757772	CRSXOBUUWOOGHM-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1ccc(C2(C)CC2)cc1	2032300247	INDPCIYGXBGZDT-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C12CCC(CC1)C2(C)C	2033435361	QACVRFCCUOBBLK-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CN(C1CCCCCC1)[C@H]1C[C@@H]2CCCC[C@@H]2C1	2034131615	JNWXKARIDDURJN-SCAQPMJSSA-N	249.442	4.610	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CC[C@@H]2CCCC[C@@H]21	2034261611	HJLQINHHYKQKHE-KCQAQPDRSA-N	247.357	4.515	0	10	BJAE	
C[C@H](N[C@H]1CC[C@H]2CC[C@H]1C2)C1CCCCCC1	2035047057	OWOMFHKLLAKPLI-FSDCSDTHSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC1CC2(CCC2)C1)C1(C)CCCC1	2038083255	NAYCGAQJDUACJY-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)CC2CC3(CCC3)C2)C1	2038083845	UGCYQRJJIPGXMF-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@@H](NC)c1ccccc1	2038138499	KYXWRXADEBBQFZ-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
C1=C[C@H](N[C@@H]2CCCC23CCCCC3)CCCC1	2039042748	XPWKDOBGPHDHBW-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CC1([C@](C)(N)CC(C2CC2)C2CC2)CCCCC1	2039848082	FNKGESMXZAUTKL-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(N)CCCC3(CCC3)C2)C1	2041291487	ZLRXPDCCKWGXAG-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@@]1(C)CC=CCC1	2042025943	ZNPIEBNKMINPSO-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCCCc1ccc(NC[C@@H]2[C@@H](C)[C@H]2C)cc1	2043416976	VVCMMNHUZSCBIG-HALDLXJZSA-N	245.410	4.733	0	10	BJAE	
CC(C)(C)C[C@H]1CCN1C[C@H]1CCC=CCCC1	2045310464	DBHMWEHYTAOWJE-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)C1CC(C)(C)C1	2045316578	FOLZBUNCUJSUPF-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@H]1CCC=CCCC1	2045316991	IMWYEMPJVOABAY-BBWFWOEESA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@@H](O)c2ccccc2)C1	2045365471	QTIZZVZTRAWDSJ-GDBMZVCRSA-N	246.394	4.717	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCC1)C1(C(C)C)CCC1	2045793417	HWICZWGEZAJMKG-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H]1CCC2(CC2)C1	2049857616	NIIZEGJUSNEUHD-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1CCCC1)NC1C2CCCC1CCC2	2050043424	KAMNYPGCVXZVIN-OHVXSQEESA-N	249.442	4.514	0	10	BJAE	
Cc1cccc([C@@H](N)CCCCCCC2CC2)c1	2050463368	ICKYLCXSWUYFQC-KRWDZBQOSA-N	245.410	4.745	0	10	BJAE	
CN[C@@H](CCCC(C)=C(C)C)c1cccc(F)c1	2050491843	IZRAIOHNVDIXKU-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CC[C@@]1(C)CCCN(C[C@H]2CCC=CCCC2)C1	2051392837	KDLWVNGQBDIQDG-IRXDYDNUSA-N	249.442	4.635	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC12CCCCC2)C1(C)CCC1	2052350281	XXHGOLGXTALOOE-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](N[C@@H](C)[C@H](C)CC(C)C)c1ccccc1	2053266908	QEGMRLABDSZBFQ-HLLBOEOZSA-N	247.426	4.798	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CC[C@H](C)[C@@H]2C(C)C)CCC1	2055549537	LRAAYSDRSYJENW-SVGFKBNWSA-N	249.442	4.536	0	10	BJAE	
CC1=C[C@](N)(C2CCC(C(C)(C)C)CC2)CCC1	2055608416	RLBDFRDBFNDAFL-DQPZFDDXSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@H](N)CC1CCC=CCC1	2056449707	JLRKQNAAIUKVDO-GVDBMIGSSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CC=C1CCCC1)c1ccc(C)cc1	2056877621	BFIKYQHYZIRHEY-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1CCC12CCC2)NCC	2059246510	DGQSBZKIIMMPPS-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C=C=CC[C@@H](NCC)C1CCC(C(C)(C)C)CC1	2059437166	BEOJRBBMJPZGPE-UYSNPLJNSA-N	249.442	4.548	0	10	BJAE	
CCCCC1CC(N)(CC2[C@H]3CCCCC[C@H]23)C1	2059494960	GQFKFRAFQVIMDR-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CCSc1ccc(-c2ccccc2)c(F)c1	2060343228	BISVAMNMVYHCTL-UHFFFAOYSA-N	232.323	4.605	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C)CC1)C1(C)CCCC1	2060922409	RISRCRMCESKIEP-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C1=CC[C@@H](C)CC1)C1CCCCCCC1	2060926575	RYHDXULAKMELGR-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@@H]2CC[C@H](CC)C2)CC1	2061099101	MWWQVRIXXFIIIA-WTTBNOFXSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@H]1CCCCCCC[C@H]1NCCC	2061564320	YJVCBGIYFLZKSW-DLBZAZTESA-N	249.442	4.836	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C1CC2(C1)CC21CC1	2063996455	JICAOLHMQXDNTH-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CCC1CC2(C1)C[C@@H]1CC[C@H](C2)N1	2065406979	VCBQCKVCRXIQEU-GJUQIXGGSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@H](C)C1(C)CCCC1)c1ccccc1	2067507327	ANEVYRSCJWAHMP-ZBFHGGJFSA-N	245.410	4.696	0	10	BJAE	
C[C@@H](N[C@H]1C[C@@H]2CCCC[C@@H]2C1)C1(C)CCCC1	2067510960	YTBZUYRYFWNPDR-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C1(CC2CC2)CCC1	2069515077	NJGLPGMNIDLFRV-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CCC(CC)n1nc(Cl)cc1C1CCCC1	2069877141	LPPLAPKZWQSMLN-UHFFFAOYSA-N	240.778	4.555	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H](C)C2CC=CC2)CC1	2070815599	SVKHSNSAHQPMDK-UXLLHSPISA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H](CC1(C(C)C)CCC1)c1ccccc1	2071950880	QXRIAUKJPRHUHK-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(CN)CCCC23CC3)CC1	2072805072	YYCXLQRIKGOPEH-ZOBUZTSGSA-N	249.442	4.502	0	10	BJAE	
CCC1CCC(CC2C[C@@H]3CCC[C@H](C2)N3)CC1	2072822021	QOKJWULUTYGAQV-QLQQRZLESA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCCC(C)=C2C)CC1	2072822609	WJFMEIZLEZOMGE-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CCCCC[C@](O)(CC)Cc1ccc(C)c(C)c1	2073343430	VTCZKMPUJAJEOW-QGZVFWFLSA-N	248.410	4.567	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@]12CCCC[C@H]1C2	2074115742	ZQVLXDJDAANGNK-HLLBOEOZSA-N	248.410	4.886	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H]1CCNC2(CCCCC2)C1	2074141219	IOUUBEBXPRUTBK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCCC2)CCC[C@@H](C)C1	2075366258	WKKVDSZVRGVWMV-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCCC1(CNc2ccccc2C2CC2)CCC1	2077263654	AQRLXYHXSVBAEH-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1Nc1ccccc1C1CC1	2077263870	FVSCILIQXIPVPJ-DVOMOZLQSA-N	243.394	4.801	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CNc1ccc(C2CC2)cc1	2079612447	FRJAORIQIDWRAA-ZBFHGGJFSA-N	243.394	4.658	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2C[C@@H]2C2CCCC2)C1	2079664047	CUWIVQCYYPEBKD-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1C[C@@H]1c1ccccc1	2079860109	CSDJFEAEFYADPN-GDBMZVCRSA-N	244.378	4.576	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@H]1C1CCCC1)C1CCCCCC1	2079869263	CTPNMDSWLANOKG-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1-c1cc(Cl)cs1	2080280882	GYCALDUCFLBWNU-UHFFFAOYSA-N	222.740	4.631	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1scc(C)c1C	2210568127	SJPYKOYSZZBSHF-CYBMUJFWSA-N	240.412	4.615	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CCCCCCC1CC1	2213574690	XGJWBRMKYXNYAB-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
Fc1cc(Cl)cc(C/C=C/c2ccccc2)c1	2213822495	JVBYZSNPWMJYNV-QPJJXVBHSA-N	246.712	4.735	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@@H](C)C1CCCCC1	2215344633	DKCDDTIQOIKJLT-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@]1(CN[C@@H](C)CC)CCC1(C)C	2217140879	RRQJJIKUQSNHDS-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C1CC2(CCC2)C1	2220045868	PQEKBVAUJXCPMS-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)CC2(C)CC(C)(C)C2)C1	2221026159	SIDJGGWWFLKHBW-QEJZJMRPSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC(C)(CCC(=O)c2ccc(F)cc2)C1	2221076115	NUSINIFUQSJMLO-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CC1=CC[C@@H](NC2CCCCCCCCC2)CC1	2221658138	CQOPRIZAJJWYBE-QGZVFWFLSA-N	249.442	4.968	0	10	BJAE	
CN[C@H](CCCCCCCC1CC1)[C@@H]1CC12CC2	2223132285	ICIPOZISMFMFGT-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(C2CCC2)CCCN1[C@H]1C=CCCCCC1	2223849593	CSMDZRJSVCDYTE-IRXDYDNUSA-N	247.426	4.530	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)c1ccc2occc2c1	2224134443	IKWXJVAIYHMLOF-ABAIWWIYSA-N	246.350	4.539	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H](CC)CCC	2244775203	LRDZFOYJCATSMO-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)CC(C)C	2244847707	RXXVPIBFSQBPML-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
CCCCC[C@@H](N)CC[C@@H]1CCCCC12CC2	2246629517	HBWVNAGNVNKREE-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1CCCC[C@H]1C	2247152042	XKPOLHUNLWTCSB-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C(C)(C)C1CCC1	2247160368	UBCGUQMFFDZAFV-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CCC1(C)C)NCC	2247299373	CFKJVQSPGJBTPA-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN(CCCCC[C@H]1C[C@H]1C)C(C)(C)C	2248844914	OUBVRPCZOUVUJE-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@@H]1CC12CCCCC2	2250407626	XAPBOLQZEWGFDC-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CNCCC(C)(C)CC[C@H](C)CCCC(C)C	2250527419	ISBMTUFZBPUHAE-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@@H]2CCCCC23CC3)[C@@H](C)N1	2253853627	KWDZFUDPBWJOOD-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](N)(CC[C@@H]1CCCCC12CC2)CC1CC1	2253865188	OQJIPGKFYKVLRJ-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC[C@@H]2CCCCC23CC3)C1	2253880063	HPEVWFMLJGOEHE-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CNC[C@]1(CC[C@H]2CCC[C@H](C)C2)CC=CCC1	2253937693	JIENQSBCDDMULY-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
C[C@](N)(CC1CCCC1)CC1CC2(CCCC2)C1	2254124185	LFIQCGUWJXCQCL-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(CN)CCC2(CC1)CC2	2254587522	QSVUHBPJAMWXHF-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
CC(C)CN(C[C@H]1CCC1(C)C)c1ccccc1	2254912021	CSFWNKBVDYSVEN-OAHLLOKOSA-N	245.410	4.585	0	10	BJAE	
C[C@H]1C[C@@H](N(C)CC2=CCCCC2)CC(C)(C)C1	2255059700	XVEPSYHKZRFBAR-GOEBONIOSA-N	249.442	4.633	0	10	BJAE	
CC(C)C1(CC(=O)C[C@H]2CCCC23CC3)CCC1	2255337540	LEAWCMTXTIIRKL-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H]1CCC2(CCC2)NC1	2257329018	RYIMCCSHUUOEHP-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NCCCCC[C@@H]2C[C@@H]2C)c(F)c1	2257330002	UAHHJOPYLCTYMR-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
C[C@@H](Nc1cccc(C(C)(C)C)c1)C1CCCC1	2257967032	JRWLEIXLIKHCPH-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
Cc1cc(N[C@@H]2CCCCC23CC3)cc(C)c1C	2258234903	XJQRXHOOCIJBKQ-MRXNPFEDSA-N	243.394	4.747	0	10	BJAE	
C1CCC(CCCN[C@@]23CCCC[C@@H]2CC3)CC1	2260607906	BPMXGYKCTOMBLA-IAGOWNOFSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@@H](C)CC1CCC1	2298913020	BOMBGBUNQKZGCS-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)O[C@@](C)(O)CCCC(C)C	2300473669	ARSSXTOGTANQGB-LSDHHAIUSA-N	244.419	4.507	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@]12CCCC[C@@H]1CC2	2300683682	MFJYMVDFMRZELW-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H](CC)C(C)C	2300879302	GBRCQWYCCOIEEQ-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CC(=CCC(=O)CC1(C)CC1)CCCC(C)C	2300905451	ZAMMINWLFOHDAD-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CC2CCCCCC2)[C@H](C)C1	2301142143	GUPMVFTUINGNQG-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)NCCCC1CCCCC1	2301687957	GKIGCMUOJUTHMD-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](N)C[C@@H](C)CC(C)(C)C	2301843715	LKJAQENLQJIJGO-QPSCCSFWSA-N	241.463	4.704	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)C1(C(C)(C)C)CCC1	2301954709	CHDCSANUUSJXHV-OLZOCXBDSA-N	238.415	4.700	0	10	BJAE	
Cc1ccc(NCCCC2=CCCCC2)cc1	2302332002	RCGGIJZUCWGMFI-UHFFFAOYSA-N	229.367	4.688	0	10	BJAE	
CCC(CC)CCC(=O)C[C@@H]1CC[C@@H]1C1CC1	2303010439	CDEUGTOLDZLIOL-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCNC[C@@]1(C[C@H](C)CC)CCC(C)=C(C)C1	2303469719	SDVYSMDLSGNKKI-CZUORRHYSA-N	237.431	4.539	0	10	BJAE	
CCCC1(C(=O)C[C@H]2CC[C@H]2C(C)(C)C)CC1	2303477420	XWRPUXBOTORSFZ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1ccc(C2CCC2)s1	2303560596	WDOVTISXCXBVMW-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
CCCC(C)(C)[C@@H](CC[C@@H]1C[C@H]1CC)NCC	2303624339	NYIIEHFZRJRKDG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@H](C)C(C)C)c1	2303711251	QICQQTCGTXVQLH-ZDUSSCGKSA-N	232.367	4.675	0	10	BJAE	
CCC[C@H](CC)CCC[C@H](N)c1ccccc1	2307907009	JLZGLPNXOIOMTL-HOCLYGCPSA-N	233.399	4.683	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@]23CCCC[C@@H]2C3)C1	2311892693	MXOVFMBNUYQRQP-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313178438	XJVQURIVORDKCZ-GBJTYRQASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H]1CCC[C@@H]1C[C@@]12CCCC[C@@H]1CC2	2313333118	FDFHNDGHPDLJCR-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCN[C@@]12CCCC[C@@H]1CC2	2313338113	DHKUDNXBIVMZGW-YLFCFFPRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@]23CCC[C@@H]2CC3)CC1	2313345699	DURLJVZGOFHGPH-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
CC[C@@](N)(C1CCCC1)C(CC1CC1)CC1CC1	2313599461	YIFSFRZJUDBMBP-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
NC[C@@]1(CC2CCCCCC2)CCC=CCCC1	2317014679	BBLOUANRJUKCHX-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@@H](C)C(C)(C)C	2317535882	XKRSBRPQRFVJOQ-LLVKDONJSA-N	247.357	4.771	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1cc(F)ccc1C(C)C	2317914522	DAXIHGSWGGZXQB-OLZOCXBDSA-N	249.373	4.797	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H](C(C)C)C1CC1	2317919112	BHVARUCNYPHCFL-MRXNPFEDSA-N	249.373	4.796	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H](C)C1(C)CCC1	2317931163	DKOOZRQWIDDDEU-LBPRGKRZSA-N	249.373	4.940	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@@H](C)CC1CCC1	2317975635	NDQGAPZSZUYPES-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CN(CCCC1=CCCCC1)c1cccc(F)c1	2318582334	BNYBSDMOYXPZEH-UHFFFAOYSA-N	247.357	4.543	0	10	BJAE	
CC1=CC[C@@](C)(CNC[C@@H]2CCC(C)(C)C2)CC1	2319103043	YHZKFZDDNRFYBG-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
O=C(CC1CCC=CCC1)C[C@@H]1CC[C@H]1C1CC1	2319591364	ILIFUKYXUDEXML-RDJZCZTQSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](CNC2CCCCCCC2)CC1	2320269262	YTAKLXPYCCQDEY-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCNC[C@@]1(C2CCCCC2)CCC(C)=C(C)C1	2320391657	VZOAXQMUQJCVJZ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CCCCN(C[C@@H]2CCC(C)=C(C)C2)C1	2320393001	ATDQNPIZVWNJOZ-DLBZAZTESA-N	249.442	4.635	0	10	BJAE	
CC1(C)CC[C@H](CCNCC[C@H]2CC=CCC2)C1	2321614021	QMCXFLNAWDTVIY-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CCCNC[C@]1([C@@H]2CCC[C@H](C)C2)C=CCCC1	2326699156	KLTNUIJTZJRJEO-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)C(C)(C)C(C)C)c1	2327672196	AQYMZMPWZZMTNM-INIZCTEOSA-N	247.426	4.800	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)C(C)(C)C(C)C)c1	2327677877	NOPKBGKHRUCADO-INIZCTEOSA-N	248.410	4.834	0	10	BJAE	
Cc1ccc([C@@H](N)CCC2CCCCC2)c(C)c1	19999091	MMQNKHPSLUPJEK-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
CCc1ccc([C@H](N)C[C@H](C)CC(C)(C)C)cc1	34960846	OUFWOGORWKOHLE-XJKSGUPXSA-N	247.426	4.711	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)c1ccc(C(C)C)cc1	36820130	AUSUVBACXIBVNF-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CC[C@H](N[C@H](CC(C)C)c1ccccc1)C(C)C	37295196	YFJJSCYSZMRKAH-DLBZAZTESA-N	247.426	4.798	0	10	BJAE	
CC(C)Cc1ccc(C(=O)CC2CCCC2)cc1	38137900	YVYMCFREMCVHMZ-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)c1ccc(C)s1	50328557	OZYVTQYQESMTLR-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccc2[nH]ccc2c1	71159045	SXRUCONKOSEMRS-LRDDRELGSA-N	242.366	4.549	0	10	BJAE	
Fc1ccc(-c2ccc3ccccc3c2)cc1	80401405	NEDUMIIWPOQJOA-UHFFFAOYSA-N	222.262	4.646	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](CC)C[C@H](C)CC	82631372	BXIUKLRFCDDZFX-IPYPFGDCSA-N	227.436	4.616	0	10	BJAE	
CC[C@H](Nc1cccc(Cl)c1Cl)C1CC1	83054740	QIACJHRYGDRPRW-JTQLQIEISA-N	244.165	4.594	0	10	BJAE	
CCCC1CCC([C@H](O)c2ccc(C)cc2)CC1	87960551	PQLISOGQEFMRQH-BDVYOWHSSA-N	246.394	4.635	0	10	BJAE	
CCC[C@@H](C)C(=O)c1ccc(C(C)(C)CC)cc1	90482238	VNRRYCJUOVCDMM-CYBMUJFWSA-N	246.394	4.993	0	10	BJAE	
CCCN[C@H](c1cc2ccccc2o1)[C@H](C)CC	93188091	XHOQVOFLVKAMEP-WBMJQRKESA-N	245.366	4.520	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1CCC[C@H](C)C1	103943476	QXSVLTVKVQXRSE-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CC)c1ccccc1	109656246	QEXWYWYWBQHKAB-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@H]2CCC[C@@H](C)C2)cc1	109733637	HKFQOKNQCMBIIS-XOKHGSTOSA-N	245.410	4.636	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)c1cc(C)ccc1C	109945061	DGTMJPXHKTYQSD-GJZGRUSLSA-N	233.399	4.533	0	10	BJAE	
Cc1c2c(c(C)c3c1C(C)(C)CC3)C(C)(C)CC2	111349123	WAOWVPSHMISXFR-UHFFFAOYSA-N	242.406	4.751	0	10	BJAE	
CCCCCC[C@H](O)c1cc2cccc(C)c2o1	124177463	ZAJRYHZOYKAOIB-AWEZNQCLSA-N	246.350	4.745	0	10	BJAE	
CCCCCC[C@H](N)C(CCC)CCC	124853190	XJYHBWJOWIZRLP-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
CCC[C@H](NCC)C1CC(C)(C)CC(C)(C)C1	125069319	GRJSDWDUUWSHTG-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@]1(O)CCC[C@@H](CC)CC1	129377417	FAISCQBXVHVXKN-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](CCCC(C)C)NCCC	133516987	COHILSZYQFKOCL-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccsc2)c2ccccc21	136971762	YOVVOZQEUIGNRW-ABAIWWIYSA-N	243.375	4.799	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)c1cccc(C)c1	161356604	SIECGZWGDRWBOC-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCCC(CCC)[C@@H](CC1CCCC1)NCC	162760713	PTZVZSJJJHAUDG-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCCCc1ccc(SC)cc1	196871805	MACKZHDGHYJRGM-UHFFFAOYSA-N	208.370	4.531	0	10	BJAE	
CCC[C@H](C)C/C(C)=C\CCNC(C)(C)C	212005066	PEAIISRFLXANCE-ODUNQGDFSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1CCC[C@@H](C)C1	217947502	AKPVOUKIENGTCX-QXSJWSMHSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](C)[C@H]1CNc2c(F)cccc21	232957928	HMDWWZKFVLRQTJ-DGCLKSJQSA-N	235.346	4.551	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(C(C)(C)C)cn1	232975855	IROYSUGWKTXCDQ-CYBMUJFWSA-N	248.414	4.760	0	10	BJAE	
CCCC[C@H]1CNc2ccc(C(C)(C)C)cc21	232998897	JPQOJTCQJXSPMZ-LBPRGKRZSA-N	231.383	4.683	0	10	BJAE	
CCCC[C@@H](NCC1(CC)CC1)c1ccccc1	232999422	VWXVVXICUDJSAR-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCC[C@H](C)Oc1ccc([C@H](C)CC)cc1	233342742	LJXGDYJAPNAAEU-OLZOCXBDSA-N	220.356	4.768	0	10	BJAE	
Cc1ccc([C@H](C)C[C@@H]2O[C@@H]2C)cc1C(C)(C)C	251161650	LGUGNTRIDKOVJG-IOASZLSFSA-N	246.394	4.573	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C1(C)CCCCC1	300244982	HQSZZVNWPQARPW-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H](C)CC(C)C	300864123	GUBJDMORYCCPFQ-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)C)c1ccc(C)c(C)c1	302257343	BDMSDJGGDWRTNK-GUYCJALGSA-N	247.426	4.636	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccc2ccccc2c1	302466954	XAMYYLRNYXFZPH-SUMWQHHRSA-N	242.362	4.700	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C[C@H](C)CC(C)C)c(C)c1	305927842	JDDCREQWFGZNOZ-WBMJQRKESA-N	248.410	4.718	0	10	BJAE	
CSc1cc2c(S)ccc(Cl)c2s1	307666457	DIWKQBYEMJKWGR-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@H]1CCC[C@H](C)C1	310434824	QZRHGOSRKUFETO-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(N[C@H](CCC(C)C)C2CC2)c1C	310658319	ISTVYGNKQNETSL-QGZVFWFLSA-N	245.410	4.930	0	10	BJAE	
CCCC(CCC)[C@@H](NC)c1ccccc1CC	310794544	CACXCYMOTWAPPW-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@]1(O)CCCC12CCCCC2	319613395	XQIVTASKGBRKOY-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1csc2ccccc12	319624846	BDEYOWRIWKAUIQ-GHMZBOCLSA-N	246.375	4.766	0	10	BJAE	
CC[C@H](Nc1cccc2ccsc12)[C@@H]1C[C@@H]1C	322076762	UCQGLKRBCXCKMN-UHTWSYAYSA-N	245.391	4.748	0	10	BJAE	
CC[C@@H](Nc1ccc(Cl)cc1C)C1CCC1	322398949	REOYZSYNXFTJTQ-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](CCC)C1CCC1	322758025	CFXNOZQTUJMXGN-HOCLYGCPSA-N	239.447	4.904	0	10	BJAE	
CCC(C)(C)[C@H](CC/C=C/c1ccccc1)NC	324102544	CUZPEGDEGSFSSJ-WQMJKPAKSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C1(CCC)CC1	379755263	ULFRVXQRTBVUKM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H](C)CNc1ccc2sccc2c1	381867881	XVAHAVQIAABYAJ-LLVKDONJSA-N	233.380	4.605	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCC(C)(C)C1	383206935	PDQQDZKYJXTCGQ-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)c1coc2ccccc12	384547735	ILUDSICSFBMGNQ-IUODEOHRSA-N	245.366	4.505	0	10	BJAE	
C[C@H](C/C=C/CCNC(C)(C)C)c1ccccc1	384850038	FOYVFCHWFSOHPS-LQYUOIDQSA-N	245.410	4.515	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@H](C)c1ccccc1	384991497	VFSVLDMJXQSNED-RDJZCZTQSA-N	247.426	4.595	0	10	BJAE	
CC(C)CCCNc1cccc2ccsc12	386132221	FGJXGIWWRPRTLQ-UHFFFAOYSA-N	233.380	4.749	0	10	BJAE	
CC1(C[C@@H](N)C(C2CCC2)C2CCC2)CCCC1	386284758	BMZJCULJTXQJGY-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](O)c2cccc3ccsc23)CCC1	386307403	LJILOLRULIQRKB-ZDUSSCGKSA-N	246.375	4.515	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@H](C)C1)c1ccco1	386552993	UDRRCCCEDIBJMA-SOUVJXGZSA-N	249.398	4.537	0	10	BJAE	
C[C@@H]1C[C@H](N[C@@H]2CC23CCCCC3)CC(C)(C)C1	387266085	LOZNBLRHOPXCKD-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)Nc2cscc2C)c1	387345452	RBEVTCFUSNJTJM-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CCCC1(CN[C@H]2CCC[C@H](C3CC3)C2)CCC1	391776379	JXJXWWPKHPWRDK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCN[C@H](c1ccccc1)C(C)(C)C	394031917	CXCQTGPPQKWIJM-MRXNPFEDSA-N	247.426	4.800	0	10	BJAE	
CC1(CNCCC2CCCC2)CCCCCC1	394581249	CSWMFDICZKEQNK-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCN[C@@H]1CC[C@@](C)(CCCCCC(C)C)C1	394811243	KKOVYWSWTIYHPK-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
Cc1csc2cc(C(F)(F)F)cc(S)c12	396297458	HHMUGVWSQSZMCK-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC(C)C1CCC(CN[C@]2(C)CC=CCC2)CC1	398361622	MHGDCGOJBJZJAO-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC1CCC1)c1cc(C)oc1C	398655958	CHEHSZQBHSMKKG-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CCC1CCC1)CNC1CC1	398679927	XGYFLEWNSKTTPS-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@@H](C)C(C)(C)C	401144616	ZUULGBQSSSHIMI-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C[C@H]1CC=CCC1	402116351	AIKHDVFJCREKCD-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC([C@@H](N)C2=CCCCC2)CC(C)(C)C1	688285916	YDMRFTPJAGNKKK-HNNXBMFYSA-N	249.442	4.667	0	10	BJAE	
C1=C[C@H](Nc2ccc(C3CC3)cc2)CCCCC1	690093655	KGEQXZTZRUGYCB-INIZCTEOSA-N	241.378	4.865	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CCCCC[C@H]1C(C)C	691103983	NBCMIPXNEIRQQO-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCC1CCCCC1	691181963	CIBUBHSIIUKEOL-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1CC2CCC1CC2	691656266	JINUHYAUIVTPCO-UYSNPLJNSA-N	244.378	4.509	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1sccc1Cl	696560367	GPAQXSFSUVXMTL-SNVBAGLBSA-N	246.803	4.651	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CNC)CCCC[C@H]1C	696800729	DRSGATFBDBESHX-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCCC(C)(C)C1	696804681	ACMGKYDFAFMBMO-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(F)(F)C(C)(C)CC(=O)CCC1CCCC1	697033470	VKDDXEZZIIANNK-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CC2CCC1CC2	697216548	WVPRCFOAYYLABI-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccc(C(C)C)cc1	697283777	DWSRXGRNBVXYNO-HNNXBMFYSA-N	234.383	4.670	0	10	BJAE	
CCC(C)(C)CC(=O)c1cc(C)ccc1Cl	700292793	RSVRPUSJEKPPGB-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](NC)C(C)(CC)CC	701197447	HZVREZGOODPMIZ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C(C)(CC)CC	701243381	RWVFFSPASNMNAD-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H](C)CCC	710249636	WXBKFJZCAQOSGV-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCCC2(CC2)C1)C(C)(C)C	711149060	SPYNNDZLDYLYJM-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C[C@H]3CCCC[C@H]32)CC1	712368803	FCJWZIZGDKFKDG-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CC(C)(C)C(C)C	713176217	RRAAUPKQPCKZPU-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
CCCC1([C@@H](CC(C)(C)C(C)C)NCC)CC1	713217409	PLAZDOSDTCEDJV-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCNCC1([C@H]2CCCC[C@H]2C)CCC=CCC1	718103994	JTGSIRJYEFNXOA-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(O)c1cc(C)cc(C)c1	718688824	GSWPBHLPTQAFKN-QGZVFWFLSA-N	246.394	4.647	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNCC)CCC=CCCC1	719089281	LBNWSOVIAIWSPP-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCCCCC1(C)C	719271925	XNCIJJQCLFZJHP-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H](C)CC(C)C	720938926	BKTBCVAZTONBBG-ZBFHGGJFSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H](C)C(C)(C)C	720941680	VTHILVOYCUWTEX-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@H](C)C(C)(C)C	1900595429	YRDSPZWRZZHBKY-HIFRSBDPSA-N	227.436	4.602	0	10	BJAE	
CCC(CC)CC[C@H](N)c1csc(C)c1C	1900693662	QBIPYQLWJZFYSV-AWEZNQCLSA-N	239.428	4.581	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1sc(C)cc1C	1900696268	KHQZDIAKPIGELF-CYBMUJFWSA-N	240.412	4.615	0	10	BJAE	
CCCC(CCC)[C@H](N)CCC(CC)CC	1900699820	FMLNPVLOEHUQCV-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CCC(C)=CCc1cc2cc(C)ccc2o1	1900897912	JXZYOTMSENPIBD-UHFFFAOYSA-N	214.308	4.640	0	10	BJAE	
Clc1ccc2ccn([C@@H]3CC[C@@H]4C[C@@H]4C3)c2c1	1906478939	MXPQUANVVIVSFU-YRGRVCCFSA-N	245.753	4.656	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCn1ccc2cc(Cl)ccc21	1908589508	JTNUJLMJBGPAFS-NEPJUHHUSA-N	247.769	4.731	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1CC2(CCCC2)C1	1912638392	PHGGZSCMLTXHGE-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CC1CCC(C)CC1	1919960487	ONHLAJHXEXVXCW-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)NC[C@H]1CCCC12CCC2	1921591931	JSGYLLOAZPKCFA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@H](C)C1CCCCC1	1926368673	WGKSUAVTMBTLHK-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)C(=O)CCC[C@@H]1CC1(C)C	1935942203	ZNVURCBYHNMMSL-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H](CC(C)C)C(C)C	1936193174	PXRQLXBFGPXBGT-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)[C@H](CC(C)C)C(C)C	1936207686	ZZRXOWYVGGAKLE-ZIAGYGMSSA-N	226.404	4.556	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(O)CCCC1(C)CC1	1940870528	UNHDZTQQDYYXRO-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](C)NCCC[C@H]1CC1(C)C	1940874806	GGERAZRXQLAKQI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CCCC1CC1)NCC	1941268301	DDBJHTJFPGDEGL-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CNCC1(C)CC(C)(C)C1	1942074608	ARLCOOHZLHERKO-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C[C@@H]1C[C@@H](C)C[C@@H](C)C1)NCC	1944201389	BMISZCKMCNTXCG-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@]1(CCC=C(C)C)CCCC1(C)C	1944481886	XYINUWBHNBTJBS-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
C[C@H](Nc1cccc(C2(C)CC2)c1)C(C)(C)C	1944599966	KEOQIDVUFIBYOG-LBPRGKRZSA-N	231.383	4.585	0	10	BJAE	
CCCC(N)(CCC)c1csc2ccccc12	1945618539	XAXLSJKHPWLDKT-UHFFFAOYSA-N	247.407	4.656	0	10	BJAE	
CCCCCCNCc1ccc2sccc2c1	1946311465	JKYBWDCDMJUIRY-UHFFFAOYSA-N	247.407	4.571	0	10	BJAE	
CCCC[C@H](C)NC1C[C@H]2CCCCC[C@@H]2C1	1947859192	YBFVGZBOBHPPDH-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C1=CCCCCC1	1948977888	SXXDTRPSISDJSW-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CC1CCC=CCC1	1949081876	WQCSZWVDTABLQK-HOCLYGCPSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CC1(CO)CCCCC1	1950373777	WACOSMIRPHWRPZ-HUUCEWRRSA-N	238.415	4.536	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1CC12CCCCC2	1950669890	XPIZOALZFVQXBE-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
FC(F)=C1CCCC2(CCCCC2)C1	1955275508	WSACQXANYJIPTC-UHFFFAOYSA-N	200.272	4.662	0	10	BJAE	
CC1CCC(c2csc(C(C)C)n2)CC1	1958180388	UJNNXIQMEZGLTJ-UHFFFAOYSA-N	223.385	4.560	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C[C@H]2C2CCCC2)CC1	1966023056	PNMUQGFVWDROMF-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC3(CCC3)C2)c1	1968407889	JWRWOTZEYRXKMH-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CCCC[C@H](C)NCC1CCC(CCC)CC1	1968585987	OWRZJVAYAHUYEM-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CC[C@H](NC1CC(C)(CC)C1)c1ccc(C)cc1	1973591405	SHXIYKQLBZSBCN-CGZBRXJRSA-N	245.410	4.614	0	10	BJAE	
C[C@H]1CCC[C@H]1n1ccc2cc(Cl)ccc21	1982612038	LXHXPIVOSOTZIV-GXFFZTMASA-N	233.742	4.656	0	10	BJAE	
C[C@@H](CCC1CC(=C2CC2)C1)CC(F)(F)F	1985532244	GVHPDAIWCIGIMA-VIFPVBQESA-N	232.289	4.856	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)CCC=C(C)C	1988795583	VIMGXQWWOIKRHN-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC(C)=C(C)C)C1	1989652079	QPLJWQOOKQRVLY-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@H](N)C[C@H]1CC[C@H](CC)CC1	1989811839	JIDQZGDZZKSNHN-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](CC)CCCC	1990045927	VOCLGNYMELUEDG-HUUCEWRRSA-N	227.436	4.904	0	10	BJAE	
CCC[C@@H](O)CCC[C@@H]1CCCC(C)(C)C1	1994032811	CCBURFPJODCEHF-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCC/C=C/CN[C@H]1CCCC[C@@H]1C(C)(C)C	1995868300	XLYHASAKYSJSAY-IDZXHDBHSA-N	237.431	4.537	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@H]1CCC[C@H](C)C1	1996595321	UYIPRNHKTAZJPZ-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](O)CC1CC(C(C)(C)C)C1	1998259166	QVKWJZYNFXVJEW-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@H](C2(N)CCCCCCC2)C1	2000046811	BQUUZHTWJVKPBL-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@H]1CCCC[C@H]1CC	2000318311	CMAYKODANKJXDL-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1CC12CCCCC2	2001259377	NDXMKLBJIJLHON-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C[C@@H]1CCC12CCC2	2001844208	LOEBIORKSRLIOB-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H]2CCCCCCCC2=O)C1	2003070307	KVNCAFIGCZASPS-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@H](C)[C@@H](C)CC	2003176598	PQZMEVMBSXMYRR-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)C[C@@H]1CCCC2(CC2)C1	2003220293	GTFQMWBCUWFYSP-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@]1(C)C=CCC1	2003328270	BUJKPYMGWYDMKO-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@H](O)C1(C2CCC2)CC1	2004535928	VGZFFUABRLBTDX-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)CNCCC1CCCCC1	2004711854	NVBDXTQYJGUXGH-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C[C@@H](NCCCC1CCCCC1)C1(C)CCC1	2004832047	ABQZYMSHMQQYRZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@H](Nc1ccc(CF)cc1)C1CCCCC1	2007026227	MFPDYWXFJODHSN-LBPRGKRZSA-N	235.346	4.537	0	10	BJAE	
CC=C(C)[C@@H](O)C1CCC(CCCCC)CC1	2007861020	KFJXDJAJPCJHHO-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](CC)C[C@@H](NCC)C1	2009617252	QMIMJNKGSPLZGQ-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC(C)C)CC[C@H](C)C1	2009628813	POMWODYISWWVOH-DZEZYYDTSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(O)(C[C@@H]2CC[C@@H](C)C2)C1	2009718776	CDKZFFYJKQYFGK-WXLSXGNJSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@](C)(N)C1=CC[C@H](C(C)(C)C)CC1	2010727989	BCRNDDSCEZRHSJ-XJKSGUPXSA-N	237.431	4.523	0	10	BJAE	
CCCCCC[C@](C)(N)CC[C@]12CCC[C@H]1C2	2011019492	LQHCWXYRGOXYIQ-JYJNAYRXSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C12CCCC1CCC2	2012119060	CJTKIDFPTNTKNG-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(O)CCC1CCCCC1	2014903613	UBHMZJGJNXMUFD-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)C(C)(C)C(C)(C)C	2015278230	MNULZFARFXJIFM-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
CCNCCC(C)(C)CCC(C(C)C)C(C)C	2015344367	JTVSTXMQCNTRHG-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CCCC1(C[C@@H](N)CC2CC(C)(C)C2)CCC1	2015641446	FIKOUIVQDCQPTK-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1(CCC)CCC1	2015645968	WDPFEPYHYXCBOC-OAHLLOKOSA-N	239.447	4.892	0	10	BJAE	
CCCC1CCC(C[C@@H](O)C(C)(C)CC)CC1	2017651669	XEDIBSFUYVUHMZ-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@@H](C)CC(C)(C)C)CC1	2017655276	LJQJGEBRLAOLEZ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCC(C)(C)C2)CC1	2017731403	RASQMMWNYRGTCF-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(CC[C@@H](CN)CC(C)C)CC1	2017735818	HSTHZVQOEVFCNW-UYSNPLJNSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@H]1CC[C@H](CCC)CC1	2017776961	WUSQXIWCYGTRFP-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCC1(C[C@@]2(N)CCCC[C@H]2C(C)(C)C)CC1	2018983701	ZMZOROHLJZUZPE-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC1(CC)CCC1	2019188307	HJYFQDJRWMJTGO-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CC1(C)CC(C)(C)C1	2019421493	NDNIEHAUTRUNIF-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
Clc1cccc2c1ccn2[C@H]1C=CCCCC1	2019533581	TZCKMRXQFOZTEQ-LBPRGKRZSA-N	245.753	4.966	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(O)(CC(C)C)CC(C)C	2022448712	QHOKZXOWLWZRLA-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](C=C1CCC1)C[C@@H](C)CC(C)(C)C	2022684206	SWPZCAFBDIBKIQ-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C[C@H]2C[C@@H](C)CC2=O)CC1	2023634522	YPGOFALSHWUQPP-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(CCC2CC(=C3CC3)C2)c1C	2024051985	AXXSLVYIDBRQLD-UHFFFAOYSA-N	226.363	4.736	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2CCCC(C)(C)C2)CC1	2024093319	AMJJCYPQXDPGGW-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@@H]1CCCC(C)(C)C1	2024126056	VREPIEANLCIKHU-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H]1[C@H]2CCC[C@H]21	2026058714	FLMAMZODZBQEFR-OJLVUWQFSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H](CC[C@@H](C)CCCC)NC	2026170237	OFBSOLJMCXZPQJ-HRNFOAQLSA-N	239.447	4.927	0	10	BJAE	
CN[C@@H](CC1=CCCC1)c1ccccc1C(C)C	2027517888	LVDOQACBGGFIBY-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC(C)[C@H](C)C(=O)c1ccc(C2CCCC2)cc1	2031746151	OYIIDSYJJOEMOR-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
C[C@@H]1CC(N2CCCCC23CCCC3)C[C@@H](C)C1	2032670110	XAUOEASSKQMJFA-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@H]1CCC(C)(C)C1	2033401417	MOUSNRGDUZZTOL-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC(C)(F)CC(=O)c1ccc(C2CCCC2)cc1	2035013236	BYQHIYAUBUYTRD-UHFFFAOYSA-N	248.341	4.665	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C[C@@H]2CCC[C@@H](C)C2)c1	2037047954	ICIAAXPVNYJAFF-VMGRFDJRSA-N	245.410	4.520	0	10	BJAE	
N[C@H](CCCC1CC1)c1ccc(C2CCC2)cc1	2037087202	KLACDPXHHDTCOA-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CC(C)CCC[C@@H](N)[C@H](c1ccccc1)C(C)C	2037093712	OKWFLIPSWQOPGT-SJORKVTESA-N	247.426	4.580	0	10	BJAE	
CC1(C)C[C@H]1CCCC1(N)CC(C2CCCC2)C1	2037175833	KXLZUPAXVATPIH-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(CC1CCC=CCC1)[C@@H]1CC1(C)C	2037206753	DOUHWYPOLMJHPE-WBVHZDCISA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)c2ccccc2C(C)(C)C)C1	2037683957	WPUYINVWSDYGJP-CHWSQXEVSA-N	244.378	4.603	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2[nH]c([C@@H]3CCCC3(C)C)nc21	2038008043	VDRJWHDMLUYJBD-UTUOFQBUSA-N	246.398	4.704	0	10	BJAE	
CCC1(C(=O)Cc2ccc(C(C)C)cc2)CCC1	2039728607	JRAZFZQTMYZKRA-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC1CCC([C@H](C)N[C@@H]2CC23CCCCC3)CC1	2040637069	YEYWZRMYINRTDB-BHDPWAOGSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@@H]2CCC23CCCC3)CC1	2041381395	ZRXKSKSKTSULBJ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1NC[C@@]1(C)CC=CCC1	2042070135	QSTHVOQSXAYEDD-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(CN[C@H](C)CC2=CCCCC2)CC1	2043195524	VHBZHQZTWLOWBV-ISXOHVOVSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@]2(N)CCC3(CCC3)C2)C1	2043611684	ISAGMODKOZSZAN-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1([C@H](N)C[C@@H]2CCC=CCCC2)CCC1	2045316968	IINTWDJBMFFUJJ-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc(F)c1NC[C@H]1CCC=CCCC1	2045329348	NFUUZAXVEVUFAE-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@@H]1CCCC(C)(C)C1	2045395944	BYRAPEONKBDVDO-HIFRSBDPSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2CC23CCCCC3)C1	2045459415	CPPPVPKUNZFXTK-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C1(C(C)C)CCC1	2045813485	QKCMRPXKULJVSY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(C(=O)CC2(CF)CCC2)cc1	2046910359	FXYBALDITPPYGZ-UHFFFAOYSA-N	248.341	4.523	0	10	BJAE	
CC(=C[C@H]1CC12CCCCC2)c1ccc(N)cc1	2047007098	FZXWMFOHCZTDSZ-HNNXBMFYSA-N	241.378	4.643	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2CC23CCCCC3)CCC1	2047014893	FFMWETFHKGFTTF-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@H]1CC12CCCC2	2047021734	YSVHKYIFLAQLCD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@](N)(C[C@H]1CC12CCCC2)C1CC1	2047057611	BWKGSQGQLHPOES-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@H]1[C@H]2CCCC[C@H]21	2048446104	GTGFSNJCECDBJT-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCC1CCC2(CCCN2)CC1	2048951580	BFWPUIZRVHTNNV-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
N[C@@H]1CCCCCCC[C@H]1C[C@@H]1C=CCCCC1	2049702558	YJSIPBLRZUJPPE-IXDOHACOSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H]1CCCCCCC[C@@H]1C[C@@H]1C=CCC1	2049706084	YACHQNLJAWTMMR-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CC2CCC3(CC2)CC3)[C@H](C)C1	2049853458	DYTRZKKCOWLBMM-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](N)CCCC2CCCCC2)cc1	2050427217	RKODMDIAXJYYAH-QGZVFWFLSA-N	245.410	4.745	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@H]1CC[C@@H](C)[C@@H](C)C1	2050449875	KSAZZPIMCGJWPS-VHDGCEQUSA-N	244.378	4.640	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1C[C@H]2CCCC[C@H]21	2051397683	AQBPDKBJVKSAIM-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1C(=O)[C@@H]1CCCCC12CCC2	2053354865	GNFBBEMUWBIADF-HNNXBMFYSA-N	242.362	4.538	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC2CC(C3CCC3)C2)C1	2056665518	DPVQLDBVFZYMKJ-FKFRUQKQSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1NCC1CC(C(C)C)C1	2056731390	QVRDZQHGBUWRKD-UHFFFAOYSA-N	245.410	4.904	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@H]1CCCC12CC2	2059170673	ABWTZWSMZIRVCB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@](CCC2(C)CC2)(CNC2CC2)C1	2059180199	IPCRMYVJYLFLIP-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@H](N)c1ccccc1C(C)(C)C	2059203491	KVBHUHWUSZXFPE-JFDDCEBESA-N	245.410	4.730	0	10	BJAE	
CC=CCCC[C@H](N)c1ccc(C(C)(C)C)cc1	2059206257	KPICYANMHJKSMC-INIZCTEOSA-N	245.410	4.730	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@H](N)CC2CCCC2)CC1	2061092648	RHNSGZMXRRPTIO-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)CC12CCC(CC1)CC2	2065309835	GMDQCERULIWKMN-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CCCCCC1CC1)c1ccc(CN)cc1	2067351169	CBWSYMGJMUTYIN-CQSZACIVSA-N	245.410	4.609	0	10	BJAE	
CC[C@@H](NC1CC(CC(C)(C)C)C1)c1ccco1	2067967310	ZJQVHHGSOXYAAG-JXQTWKCFSA-N	249.398	4.535	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068723458	MQPUUXPHUSBPCC-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CN(CC)c2cccc(F)c2)CCC1	2069268037	KISMPEZOMMREFB-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
CC(C)CC1(C(=O)c2cccc(C3CC3)c2)CC1	2069498601	UJPTXOIFEUHZDN-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC(C)=C(C)CN(C)C1CC2(CCCCCC2)C1	2072415519	VOECMPDWDSVMAQ-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](NCC)C2=CCCC2)CC1	2072700398	KWRWMFJFGUTRMY-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](NC)C2=CCCCC2)CC1	2072701002	STRWILBRZFEUOM-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CCC(=C[C@H]1CCCC2(CC2)C1)CNCC(C)C	2073789618	GMDBXALQJWSQTM-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@]23CCCC[C@@H]2C3)C1	2074114438	RQGHDWFERMOHHN-DLTWYDFYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](c1ccccc1)N1CCC12CCCCCC2	2074784732	LKGDUYDROAOKBX-HNNXBMFYSA-N	243.394	4.546	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CNc1ccccc1C(C)(C)C	2079618090	CZUKVQFJADQRJU-ZIAGYGMSSA-N	245.410	4.688	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC1(N)CC2(CCCCCC2)C1	2079864471	MTMINOYDAALJDD-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)NCC1([C@@H]2C=CCC2)CCCCCC1	2081681608	ASRDVCZQMORDEZ-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H]([C@H]2CCCNC23CCCCC3)C1	2083815598	HVEANBBDATXLFQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC[C@@H]2CC23CC3)CC1	2086418418	NBOPMFAPAUQSJY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](CCC)CN[C@@H](C)CC	2212588771	NMONJOBCVZATEK-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)C(=O)CCC1C[C@H]2CCC[C@H](C1)C2	2213281468	WRVLZHZMUCZYJT-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CCC1CC1)NCCCCCCC1CC1	2213580319	YHMNDTAASBEECR-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1ccccc1NCCCCCCC1CC1	2213582345	HALUOOGEKFLSNV-UHFFFAOYSA-N	231.383	4.767	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)CC1(C)CC1	2214566117	STALPQKNXHMHTA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C[C@H](O)CC[C@H]1C[C@H]1CC)C(C)(C)C	2215233481	OEJJQRLEAUCJMM-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@]1(C)CC=C(C)CC1	2215815537	LGWCRHJWKVXKQW-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CCCCC(F)F	2216466828	ARQKTJJEFAXSMI-JSGCOSHPSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)[C@H]1CCC(C)(C)C1	2217151922	ZUTIRJHVMCJYOG-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C1(CN[C@@H](C)CC)CCCCC1	2217152416	DTUFDKMPESJRJI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218339924	OIRMNDKEAPFOKE-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CC[C@H]2CC[C@H]1C2	2218719895	CPVRHEAZGZZCCV-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
C(=Cc1ccccc1)CC1=Cc2ccccc2C1	2219075435	CKBWCOGVLHKOGY-UHFFFAOYSA-N	232.326	4.730	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C/C=C/c1ccccc1	2219089754	FJYKIZHYGQVSME-UEICXMAYSA-N	243.394	4.554	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@]12CCC[C@H]1C2	2220042927	AVYMOCUVMIXXDA-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@H](CCCC1=CCCCC1)C(F)F	2241442042	WMDHQBMGOVKOHL-SNVBAGLBSA-N	202.288	4.558	0	10	BJAE	
CCCCc1ccc([C@@H](N)CC(C)(C)C)s1	2242599352	UPSSQKFTAYVOCG-LBPRGKRZSA-N	239.428	4.527	0	10	BJAE	
CCC(CC)C(=O)CC[C@@H]1CCC[C@H](C)C1	2242770251	NCTSRBUXNVCJBR-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
Fc1c(Cl)cccc1CCC1=CCCCC1	2243238229	QTWGNSAYVXSDDZ-UHFFFAOYSA-N	238.733	4.912	0	10	BJAE	
Cc1scc(C(=O)C[C@H]2CCC23CCC3)c1C	2246415929	KEBSMHLSIAJLCG-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
O=C(CC[C@H]1CCCCC12CC2)c1ccsc1	2246628249	WYXRLZFHCWTSPZ-CYBMUJFWSA-N	248.391	4.681	0	10	BJAE	
CC(C)NCC(C)(C)CC[C@H]1CCC[C@H](C)C1	2246663995	HHCBQCHUVNCDQX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cc2ccccc2s1	2246859684	XZIWHOPYPNLQJE-XHDPSFHLSA-N	248.391	4.761	0	10	BJAE	
Cc1ccc(OCCCC[C@@H]2C[C@@H]2C)cc1C	2247118510	HMGOBNARUVKLTN-LSDHHAIUSA-N	232.367	4.509	0	10	BJAE	
CCCC[C@H](CCCCC[C@@H]1C[C@H]1C)NCC	2247128821	LZUMAVSBPHWQMU-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@](C)(CNCC(C)C)CC1=CCCCC1	2247525023	LKPHFDMMBUCTRM-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](CCC[C@H]1CCCC12CC2)NC	2247599862	GEYFBFAGUBKSII-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC1CC(O)(CCCCC[C@@H]2C[C@@H]2C)C1	2248868896	DYDGEJVLTAJAJO-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CCCCC[C@H]2C[C@H]2C)C1	2248879241	LSDYJHNEISLRJJ-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCCCCC1CC1)NC	2250356170	PQQKCZGZYMUJNA-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CC1CC2(CCCC2)C1	2254111523	YLYAZKSOZZZUQS-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(F)ccc1C(=O)CCCC[C@@H]1C[C@H]1C	2254594277	REOXWVIELPILBY-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@H]2CCC23CCC3)CC1	2255009564	PIQNZNXXNRQKLG-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@H]1CC1=CCCCC1	2255090853	DRCFTCVZBZNDBQ-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@@](N)(CC[C@H]2CCCC23CC3)CCC1	2255266880	CPYBROVBNFSUIY-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CCC1CC(CC(=O)CC[C@H]2CCCC23CC3)C1	2255312563	HLVISCDBJRSFPZ-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(CC[C@@H]2CCCC23CC3)C1	2255330892	OQROBTAKOCDIES-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1(CNC2CC2)CCC1	2257292058	NBWTTWZOVNGGBF-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](C)(N)C1CC2(CC2)C1	2257313820	DVIOJAWKIZWGTQ-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@@](N)(CC2CCCCCC2)CCC1	2301137938	OWJQHBABBDGFSR-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)[C@@H](C)[C@H](C)C(C)C	2301979306	UZTJTHLESZBKON-IJEWVQPXSA-N	239.447	4.568	0	10	BJAE	
CC[C@H]1CCC[C@]1(N)CCCC1=CCCCC1	2302331945	QKVORJHSMSBWFO-JKSUJKDBSA-N	235.415	4.565	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@H](C)C(C)C	2302360572	CESDJAUUDKPONY-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCCCCC(=O)C[C@H]1CC[C@H]1C(C)(C)C	2303474590	GVGJNXCXYLCYKQ-UKRRQHHQSA-N	238.415	4.988	0	10	BJAE	
CCCN(CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304435704	KDFWDOZALPMJGX-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CC(C)(C)CCc1nc([C@]23CCC[C@H]2C3)cs1	2307692726	ILQSQWBBAZAWMP-NHYWBVRUSA-N	249.423	4.563	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CO)C1CCCCCC1	2307875654	IYTAOIMOTIIPNM-HOCLYGCPSA-N	240.431	4.782	0	10	BJAE	
CC[C@H](C(=O)[C@H](C)CC1CCC1)c1ccccc1	2313652488	XFTWTGVSWQCEQU-CJNGLKHVSA-N	244.378	4.576	0	10	BJAE	
CC(=CC[C@@H](N)c1ccccc1)CCCC(C)C	2316501346	DMNIWXLUTLOGMA-QGZVFWFLSA-N	245.410	4.849	0	10	BJAE	
O=C(CCC1=CCCCC1)CC1CC(C2CC2)C1	2317936357	MJHRVRBEGJSFGM-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)CCCC1=CCCCC1	2318566370	WVSBLLQUZOFCHN-VYDXJSESSA-N	249.442	4.811	0	10	BJAE	
CCCC1(C[C@@H]2C[C@H]3CCCC[C@@H]3CN2)CCC1	2319875416	LQHBCVIPFITLDW-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NC[C@H]1CCC(C)=C(C)C1)C1CCC1	2320232971	VRNHMVXXLILICS-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)C2CC(C(C)C)C2)CC1	2320395888	GSBSBLXXHOXSNE-OTBWCIGPSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CC[C@H](C)CC2)CC1	2320422933	JMYRCYOURMWNGO-DAXOMENPSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CCCC23CC3)CC1	2320424908	UPVMWVRHEBIKPW-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1cccc(C(C)C)c1	2320517369	QDTDKKJMFQCWIL-KRWDZBQOSA-N	245.410	4.946	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)C2(C)CCCC2)c1	2327676906	CDBKFZCHQUUHNU-UHFFFAOYSA-N	244.378	4.881	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@@H]2C=CCCC2)c1	2327697687	SYCUKSGAPPLJRY-PBHICJAKSA-N	244.378	4.508	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CNC)c1ccccc1C	2328197517	UYWSEKREMFLFEM-HZPDHXFCSA-N	247.426	4.514	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)c1cc(C)ccc1C	2328283663	ZHROKOVJKYSUNB-DOTOQJQBSA-N	247.426	4.694	0	10	BJAE	
CCCCc1ccc(NC[C@@H](C)CCC)cc1	21795718	PQTJBKFMPBWCQB-AWEZNQCLSA-N	233.399	4.877	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CC)C[C@@H](C)CC	36792263	GEZFVCGIYMJGQE-KKUMJFAQSA-N	227.436	4.760	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1NC[C@H]1CC=CCC1	36920874	RXOWIAXXJPVUPL-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@@H]1CC)c1ccccc1	37032186	VVDUOJVLNSOSFL-BHYGNILZSA-N	245.410	4.696	0	10	BJAE	
CCC[C@@H](C)CN[C@@H](CC(C)C)c1ccccc1	37042744	KUQCPAXIXLCURY-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)C1CCCCC1	37376981	RDJOUYWLCDBICO-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccccc1N(C)C	57716564	CUOYKZORPGCRSK-CQSZACIVSA-N	248.414	4.523	0	10	BJAE	
CCC1CCC(c2ccc(C)cc2)CC1	59356568	YQYBBVPUXRZFNE-UHFFFAOYSA-N	202.341	4.679	0	10	BJAE	
CC1(C)CCC[C@H](Nc2cccc(Cl)c2)C1	70682603	FGWNSDBHDFDRNV-ZDUSSCGKSA-N	237.774	4.721	0	10	BJAE	
CCCCC[C@@]1(N)CCCC[C@H]1C(C)(C)C	71084951	KPMUEFKHYUTPHS-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCC(C)(C)C1	79976932	FWHCMLRPPWXKIJ-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
Clc1ccccc1N[C@@H]1CCC[C@@H](C2CC2)C1	81624017	ONWGUGAVCKMHDM-CHWSQXEVSA-N	249.785	4.721	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccc(Cl)cc2)[C@@H]1C	82857309	HFAFOFWOVPRZFS-WDMOLILDSA-N	237.774	4.577	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCC(C)(C)C)CC1	83520417	JKBIYEXWYJIQQV-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CC(NC(C)(C)CC(C)(C)C)C[C@H](C)C1	84466039	AYTFZRDKXASKPY-CHWSQXEVSA-N	239.447	4.616	0	10	BJAE	
CC1CCC(Oc2ccccc2C(C)(C)C)CC1	85151828	PKHMQMPBMZJXRZ-UHFFFAOYSA-N	246.394	4.942	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@@H]2CCC[C@H](C)C2)CC1	86896559	SZTPBCOTTHCSOA-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](O)CCC(C)C)cc1	90484722	BYSUNYXSLALKJB-INIZCTEOSA-N	248.410	4.844	0	10	BJAE	
CCCC[C@H](NC(C)C)c1cc(C)ccc1C	93074310	BYSBANGEYLGGAP-INIZCTEOSA-N	233.399	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)Cc1ccccc1C	109713380	LEEHLGSZEKWRHR-DOTOQJQBSA-N	248.410	4.505	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1CCC(C)(C)C	112869693	DJMZKEBMZYLPHB-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H]1CCCCC[C@H]1NCCC	112869776	RSOBTPUHYTZIBB-HZPDHXFCSA-N	239.447	4.905	0	10	BJAE	
CCC[C@H](C)C(=O)c1cccc(CC(C)C)c1	127629314	UOWDWUWUXNKICF-ZDUSSCGKSA-N	232.367	4.504	0	10	BJAE	
CCC[C@H](NCC)C1CCC2(CCCC2)CC1	130442299	CRZGCVWWPYPWSZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCc1csc(C2CCC(C(C)C)CC2)n1	132034906	CVEMMZPWRYXNRU-UHFFFAOYSA-N	237.412	4.635	0	10	BJAE	
CCC(CC)CC(=O)c1ccc(C(C)C)cc1	148013418	HUNYXFHHSHCPGT-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
CC(C)CCCCCCC(=O)C(C)(C)C	149039963	HQAODUASFSZUPN-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
Cc1cccc(C(=O)C2CCCCCCC2)c1C	158837784	VXHYCIOWFUTDBP-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CC2=CCCCC2)cc1C	161094598	QAQCSWGPNBJDKT-KRWDZBQOSA-N	244.378	4.536	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)c1ccc(C)cc1	161358859	HTQBRKFZQJVSNH-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCCCCC(=O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2	164757691	ONMCDKXYEXEBDX-JCAIJIATSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCC[C@H](N)c1ccc(C(C)C)cc1	165792488	ZEGBYLDHRDIZLY-INIZCTEOSA-N	233.399	4.636	0	10	BJAE	
C[Si](C)(C)N(c1ccccc1)c1ccccc1	195755229	RLSUOUMJBQZFNR-UHFFFAOYSA-N	241.410	4.660	0	10	BJAE	
C[Si](C)(C)CCC12CC3CC(CC(C3)C1)C2	195761936	FWEZHKSBOVXAIU-UHFFFAOYSA-N	236.475	4.931	0	10	BJAE	
Cc1c(Cl)cccc1[C@H](N)C1=CCCCCC1	219639376	DSIHYIJTEVIZLX-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
C[C@H]1CC[C@H](Nc2ccccc2Cl)[C@@H](C)C1	221645680	UAVPQCYUPYAPMI-GVXVVHGQSA-N	237.774	4.577	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)c1ccsc1C	227915096	QRAKZXZVTDMMJY-JSGCOSHPSA-N	239.428	4.533	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCC23CCCCC3)c1	230162542	ZUKJOOWXOAQOCT-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
CC[C@H](C)c1ccc(Oc2ccccc2N)cc1	232337019	HQPYDBBUBPQPEU-LBPRGKRZSA-N	241.334	4.575	0	10	BJAE	
CCC[C@H](CC)NC[C@H](c1ccccc1)C(C)C	233345200	XVOTYFXJOKOKHW-IRXDYDNUSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](CC)Cc1ccc2c(c1)NCCC2	300117380	TVQVJXIQFIWIBL-AWEZNQCLSA-N	245.410	4.804	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@@H]1/C=C/CCCCC1	302304082	AMHMWTDSMRADCE-INSRFBDYSA-N	243.394	4.535	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1ccc(C(C)(C)C)cc1	302484951	ZBKXLZOIKQHTEG-CJNGLKHVSA-N	247.426	4.810	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@@H](C)C(C)(C)C	305965793	PECFMHMYVMCNMG-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(N[C@H](C)c2ccc(C)o2)ccc1C	306025199	OQTUROFAWQYZMG-CYBMUJFWSA-N	243.350	4.632	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CCC[C@H](C)C2)C1	310419559	NTECANZVGUWVAK-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)C1(C)CCCC1	310572069	ZLXMNOOCBYZIDH-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H]1CC[C@@H](C)[C@H](C)C1	310594291	BXPHZDYJBQJRNT-BPLDGKMQSA-N	241.378	4.947	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1C)[C@H](C)CC(C)C	310667427	DYWAPEUBVHEUCD-RHSMWYFYSA-N	247.426	4.636	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(O)CCCCC12CCCC2	319059583	WTDHUFZSHKHWSP-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(O)CCC[C@H](C(C)C)CC1	319062275	XDXOMCDDBQBSFK-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)c1csc2ccccc12	319750208	YXIMMLXXDADVHC-ZIBATOQPSA-N	247.407	4.583	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](CNC1CC1)C1=CCCCC1	320057556	VRFCGNSZSULFQB-JJRVBVJISA-N	249.442	4.537	0	10	BJAE	
C[C@@H](Cl)/C=C\c1cc(Cl)cc(Cl)c1	379360180	AXUUMGCUPLLNSF-SKRYNEFJSA-N	235.541	4.634	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)C[C@H](C)CC(C)C	379608933	GHRPAQYCSVJVFU-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCCCCC(=O)C[C@H]1CCCCC1(F)F	381595310	FGUOINZZOGMBDE-GFCCVEGCSA-N	246.341	4.742	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC12CCCC2)C1CCCC1	382826479	VVGIYQQPWKGFEP-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCCc1ccccc1[C@H](O)C(C(C)C)C(C)C	384505174	QWCRNDLQGDQAEQ-KRWDZBQOSA-N	248.410	4.601	0	10	BJAE	
CC[C@@H](NC)c1cccc(C2=CC[C@@H](C)CC2)c1	384970523	KYSMJLUCSQIDCZ-CXAGYDPISA-N	243.394	4.561	0	10	BJAE	
C[C@@H](C[C@@H](N)CCC1=CCCCC1)C(C)(C)C	385657760	FXJJBLKRZCMKON-ZFWWWQNUSA-N	237.431	4.667	0	10	BJAE	
Fc1cccc(N[C@H]2CCCCC23CCCC3)c1	386480061	IDUHJCBUVVNVEU-HNNXBMFYSA-N	247.357	4.741	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1Nc1ccsc1Cl	387230246	MYCYPPJLMPLBKW-WCABBAIRSA-N	243.803	4.638	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC2(C3CC3)CCC2)CC1	391425918	IQVLDVYMKBVVPJ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(C(F)(F)F)c2sc(C)cc12	396297031	DTTGPVSOISXWIF-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CCC1)[C@@H](C)CCC	398746395	YSOVOEMIFNNXQB-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](CCC2CCC2)C1	398859654	RFKZCOLADNIKNO-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@@H]1C[C@H]2C=C[C@H]1CC2	402163584	QTMBMRJLCDKZSC-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C(=O)C1CC(C)(C)CC(C)(C)C1	688309525	WDIZHODXRBIGBJ-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CCCC2CCC2)C1	688356477	OGKRMLLEYVPARA-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C(C)(C)C(C)(C)C)c1	688971097	KNOMKBKZAXYEBZ-OAHLLOKOSA-N	248.410	4.916	0	10	BJAE	
CC1CCC(CC(=O)C2CCC3(CC2)CC3)CC1	695578197	YIEUIWMTKYLBHH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@H]2C2CC2)c(C)c1	696103574	IBNVXQKECCZRLT-RDJZCZTQSA-N	243.394	4.684	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC[C@@H]2C2CC2)cc1	696105854	RCODFOZBVWNTKF-SJORKVTESA-N	243.394	4.630	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1CCC[C@H]1C	697762061	RPNJNZWDJXVJEU-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)CCC(C)(C)C)C1(C)C	699088110	SWIGKMUZDFZRDR-WBMJQRKESA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C(C)(CC)CC	701131824	BXEDXOCCDMPTSN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)c1cccc(C(C)C)c1	701579331	VBSRRMPLJLUFEK-RDJZCZTQSA-N	246.394	4.598	0	10	BJAE	
Cc1cc(C)cc([C@](C)(N)CCCC(C)(C)C)c1	704508695	PGHHIKIGHMMUDA-QGZVFWFLSA-N	247.426	4.694	0	10	BJAE	
C/C=C/[C@H](NCCC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	704679660	SAYDEHJFZZANGW-DMHULVFXSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)CCCC	704843457	LMRJFCFJJNJQLG-KBPBESRZSA-N	213.409	4.501	0	10	BJAE	
CC(=O)c1cccc(S[C@@H]2CCCC[C@H]2C)c1	704910992	YCRDPQOXOGFEAV-IAQYHMDHSA-N	248.391	4.560	0	10	BJAE	
CC[C@H](C(=O)[C@@H]1CCCC[C@@H]1C)c1ccccc1	704920454	BGKUZVNXKMRQMQ-CWRNSKLLSA-N	244.378	4.576	0	10	BJAE	
C[C@H](CC(C)(C)C)CC(C)(C)CNC(C)(C)C	709108147	SKQCGQASNKPSID-CYBMUJFWSA-N	241.463	4.863	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H](C)CC(C)(C)C	709126586	JQZFLIKAGXMUHD-UKRRQHHQSA-N	241.463	4.993	0	10	BJAE	
C[C@@H](CN[C@H](C)CCC(C)(C)C)CC(C)(C)C	709254681	RAAPDHVLAAXCPU-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1cscc1Cl	710403875	ZJASPWPGRDKINN-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@]12CCCC[C@@H]1C2	711224958	RTOIWSBOGDEEOW-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NC[C@@H]2C=CCC2)CC1	711687484	SHULBRLHCCGJES-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)c1cc2ccccc2o1	713132527	URDPKKSIAQHOBQ-ZDUSSCGKSA-N	245.366	4.505	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@H](C)CCCC	713683490	LDXPSMADEFNURM-GPPWAPFKSA-N	237.431	4.703	0	10	BJAE	
C/C=C/C[C@H](C)c1ccc(OC(C)C)cc1	714537629	GMVCOWZTRNJBSD-GFUIURDCSA-N	218.340	4.544	0	10	BJAE	
CC(C)CC(CC(C)C)NC1CCC=CCC1	718129839	SVPGNSAZDVEELU-UHFFFAOYSA-N	237.431	4.536	0	10	BJAE	
CC(C)=C(C)CCn1c(C)cc2ccccc21	718558022	KIWXBFFZHMBCDG-UHFFFAOYSA-N	227.351	4.696	0	10	BJAE	
CCC[C@@]1(CC2CC(C)(C)C2)CCCCCN1	723540854	NRSBKGJSYCDIFF-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCN(CCC(C)C)CC1(C)CCC1	1560715315	FASMALNIEZITDG-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
Cc1sc(CCCC(C)C)c(C)c1C	1889470294	OIYVHASEPUBAFT-UHFFFAOYSA-N	210.386	4.652	0	10	BJAE	
CCCCCCc1cc(Cl)sc1C	1889493596	GSRJRNZYRJQQLE-UHFFFAOYSA-N	216.777	4.833	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCCC(C)(C)C	1900597196	RCSKRRHCBYQSGQ-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CCC(CC)CC[C@H]1CCCC(C)(C)C1=O	1900714953	YPRFYRJIQZCSSB-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CC1CCCCCC1	1901135729	KFELWEGNIPDKQT-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C)C(=O)CC[C@@H]1CCC(C)(C)C1	1903411869	OOHYYPMMCRSVOT-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CC)C[C@H](C)CC	1905352780	FEBBINHYCKQPTK-QLFBSQMISA-N	227.436	4.747	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@@H]1CCC[C@H]1C(C)C	1907595236	XHZQSMMSLUCEKV-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@H]1CCCCC1(C)C	1908591461	IWQOHSZUYOADRY-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC=CCCNC(C)(C)C)CC(C)(C)C	1911855004	ABJPCWWVPPZODU-AWEZNQCLSA-N	239.447	4.783	0	10	BJAE	
C=CC=CCC[C@H](NCCC)c1cccc(C)c1	1912026393	YTCLVVIHXNTHNW-KRWDZBQOSA-N	243.394	4.558	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H]1C[C@H]1C(C)(C)C	1912036570	KFFDOBZWFPVBGJ-OAGGEKHMSA-N	249.442	4.559	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(OC)cc1Cl	1912072860	WSUQXWHTWZFNIX-NSHDSACASA-N	238.758	4.808	0	10	BJAE	
CCC=C[C@@H](C)Cc1ccc(CCC)cc1	1912090400	GXZRNGUNBATWSC-CQSZACIVSA-N	216.368	4.784	0	10	BJAE	
C=CC=CCC[C@H](C[C@H](CC)C(C)(C)C)NC	1912116197	BOBXCZGDDKWLEQ-LSDHHAIUSA-N	237.431	4.559	0	10	BJAE	
CCC(C)(CC)[C@H](N)CCC=Cc1ccccc1	1912119419	VIUPECOPZIHUCC-MRXNPFEDSA-N	245.410	4.634	0	10	BJAE	
N[C@@H](CCCC1CCC1)C1CC2(CCCCC2)C1	1912618212	NNPOXCNDLWOEKG-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(N)CC3(CCCCC3)C2)C1	1912729282	SDPPKCPVIJJBDF-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(CN[C@H]2CCC3(CCCCC3)C2)C1	1915866296	QYGKSAWDQTUDAA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C)c1ccc(C2C(C)(C)C2(C)C)cc1	1917173608	HKPZQUMIWCXOPG-LBPRGKRZSA-N	245.410	4.507	0	10	BJAE	
CCCCCC[C@](C)(N)C1CCC(C)CC1	1920193462	JTZBSTCSLOZAPL-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc([C@](C)(N)C[C@H](C)CC(C)C)c(C)c1	1920438037	LRBKHYRQMDLHRF-RHSMWYFYSA-N	247.426	4.550	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)[C@H]1CCCC12CCC2	1921595529	PPVMAGAAFLWAGX-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@H]1CCCC12CCC2	1921627824	QZNWMOHZVBXGLA-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@@H](C)C1CCCCC1	1924148583	MNJXUOYIUKCOJB-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C1=C[C@@H](C[C@H]2CCc3ccccc3N2)CCCC1	1925927779	OUCADFFVMFNEFV-GDBMZVCRSA-N	241.378	4.550	0	10	BJAE	
Cc1cc(CC[C@H]2C=CCC2)ccc1Cl	1932594090	YHBLMROTSXTAGU-LBPRGKRZSA-N	220.743	4.547	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H]2C=CCCC2)C1	1932605650	XZKHSNQQOVLUFA-RBSFLKMASA-N	206.373	4.949	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CCCC1CCC1	1936343491	HXODZXGETMLURG-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCc1cscc1C(=O)C[C@H](C)CC(C)C	1938822086	MIICDABEAVPRRE-LLVKDONJSA-N	238.396	4.566	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)CCC[C@@H]1CC1(C)C	1940874711	VPTNIYUMXZFLCX-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(N)(CCC[C@H]2CC2(C)C)CC1	1940882010	OMMLWYYGORRMIX-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CCCCC1)NCCCC1(C)CC1	1940885423	YZYWRANQDIZMQR-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CCCCCC2CC2)[C@@H]1C	1941591886	PAHJUQUPPAWQGW-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)[C@H](C)CCC(C)C	1942654659	BZDHTYIHJWRFHB-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CCC[C@@H](C(C)C)C1	1942661877	XCFHJBQEYCIWNY-ARFHVFGLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCCCC[C@H]1CC	1942802803	GRSHQJLJEPOSDT-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC1(CCN[C@H]2CCCC2(C)C)CCCCC1	1945431840	HDSKBHUYGHGNCB-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CNC1(C)CCCCCC1	1945602176	AGZHBWDQUOWWLV-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)CC(C)(C)NCC(C)(C)C1CCCC1	1946976749	JTVXNIMKSDMSFI-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
Cc1coc(C)c1C(=O)CCCCCC(C)C	1947518587	CHILUHNIRFNUCH-UHFFFAOYSA-N	236.355	4.686	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC23CCC3)cc1	1947879887	UAXCGIBGUIGMSB-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)CC1CCC(C)CC1	1948331560	HASJAADQWLGQLU-GRAKBVBRSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CCCC(C)(C)C	1948983998	PQYYDBHXSSVKDG-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC(C(=O)[C@H]2CCC(C)(C)C2)CC1	1949497521	RKULHLISPOXYHL-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@H](C)[C@@H](C)CC	1949862862	VXXXBPALCCIEGM-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@@H](C)c1ccc(OCCC)c(OC)c1	1951308877	PNFYUYSRDQYMQP-CYBMUJFWSA-N	248.366	4.554	0	10	BJAE	
CCC(C)(C)CNCC1(C)CCC(C)(C)CC1	1963151068	YQVPTOBRICBNGM-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(C)c(OCC2CCC3(CC2)CC3)c1	1968306915	AKMGQXMIRXGTTI-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
Cc1ccc(OCC2C[C@H](C)C[C@@H](C)C2)cc1C	1968307666	NSJLTTXGBOERHY-CHWSQXEVSA-N	246.394	4.755	0	10	BJAE	
CCCC1CCC(CN2[C@H]3CCC[C@H]2CC3)CC1	1970118266	QGVKRWXEUIETEC-GQGLESIBSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NCC1CCCCC1	1973519715	RJJBTNFIQGVYHD-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)C23CCC(CC2)C3)C1	1973847145	GMQNAEGCEBJMSU-HLUWQOEYSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cc(C(F)F)cs1	1977081776	URBJCTFWCJQDJC-SNVBAGLBSA-N	247.354	4.512	0	10	BJAE	
FC(F)(F)[C@@H]1CCCC[C@H]1CC1CC=CC1	1981975618	FXUAGRLQLBPZRK-NWDGAFQWSA-N	232.289	4.711	0	10	BJAE	
CC[C@](CNC(C)C)(CC(C)=CCl)C(C)C	1986417073	XGQZZWPGDIUGDP-CQSZACIVSA-N	245.838	4.570	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(C)cc1	1986946746	CITVFDROOSVBTG-CQSZACIVSA-N	219.372	4.622	0	10	BJAE	
CCCCC[C@H](O)CCC(C(C)C)C(C)C	1988262383	KURSQWAXLVCPNX-AWEZNQCLSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)C(C)=C(C)C	1989667257	SYTNYFYMSNSZIB-DZGCQCFKSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@H](CC)NCCCC1CCC1	1990099890	NGKWKPKYPRVOKO-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](C)CN(C)CC(CC)(CC)CC	1990818005	SVSDKAQNLNPEOE-AWEZNQCLSA-N	227.436	4.571	0	10	BJAE	
CC(C)=C(C)CCCc1cccc(C)c1C	1994008479	CEDMOEQIQKRFQE-UHFFFAOYSA-N	216.368	4.982	0	10	BJAE	
CCCCC[C@H](N)C[C@@H]1CCCC(C)(C)C1	1994026836	UOFFIKPIPYFKIG-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C1CCC(C)(C)CC1	1996551161	AIWZHCHFWAJESM-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
Cc1cscc1[C@H](N)C[C@H]1CCC=CCCC1	1999991752	RXEVITXVYTVPHX-DZGCQCFKSA-N	249.423	4.583	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@H]1C=CCCC1	2000505097	NULCLYQXMJPIJQ-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CC12CCCCC2)C(C)(C)C	2001252288	AQBAAIHMDAEQDC-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)C[C@]1(O)CCCCC12CCCCC2	2001600939	DQIDUEKAVLNHRI-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCCCC1CCC([C@@H](CC)NCC)CC1	2003068145	DYUJWMJVXRMZNG-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
Cc1sccc1C(=O)C[C@H]1CCCC2(CC2)C1	2003287626	LQHANMJUUXPVHX-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CCCC(CCC)CNc1ccc(C)c(F)c1	2004704924	DDVUFFYZGODQDR-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)C1(C)CCCCCCC1	2004922303	GLMLVSABHMKAQJ-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)CC[C@@H]1CCC(C)C	2009411053	NAZIZYATPUWABP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@H](CC1=CCCCC1)NCC	2009634163	DVJNYVUTPYYYJE-LLCTXKFZSA-N	235.415	4.601	0	10	BJAE	
CCCCC1CC(N(C)C[C@@H](C)C(C)(C)C)C1	2009782287	YULLYCRWGBPNBG-WLYUNCDWSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)C1CC2(CC2)C1	2012415667	DIJXZZZDBHYSHA-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC[C@@H](N)CC2CCCCC2)CCC1	2015593381	CMGCKTFYFTZDIP-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CC1(CCC)CCC1)[C@@H](C)CC	2015642649	SLNWAKCPANZMQW-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)CCC(C)(C)C	2016143922	HOBIZGCUWASFLU-GJZGRUSLSA-N	239.447	4.926	0	10	BJAE	
CC1(C)CCC[C@H](NC2(C(C)(C)C)CCC2)C1	2017097000	BWAGWYRKMJJOOZ-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC(C[C@@H]2CCCCC[C@H]2N)CC1	2017720846	IILGYFZQUQJGJS-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
CCNCCC=C(C)CC1CCC(CC)CC1	2017733396	JYBSCXVLXHSDIZ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)CCC(C)C)CC1	2017774383	NYJYFBKBJXPFNH-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@]2(C)CCC(C)(C)C2)C1	2017914390	UFRZMLUXFSJBHU-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	2018139522	SJNCYXVIOALKIV-QXSJWSMHSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@]12CCCC[C@H]1C2	2018568957	HXTDWCMJQYLFIS-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@]12CCCC[C@H]1C2	2018631911	RMJMJBYMPIZKMC-XJKSGUPXSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](CC2(CCC)CC2)C1	2018970420	PDJMNFWWJLEAKW-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)C[C@H]1CC[C@H](CC)CC1	2019387591	WDQVKNDZFMEHPK-VGWMRTNUSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H]1[C@@H](C[C@@H](C)CC)CCCC1(C)C	2020365832	YWQLERYGEQFOIA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CC(C)(C)CC2=O)CC1	2023633135	SIGWKBUIXVLBQV-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCN(CC)CC1CC(C)(C)CC(C)(C)C1	2024098218	KUBCBZAVNVFKEK-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CC1CC(CC)C1	2025434647	CZZMDOZTWWYMJS-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CCCCF)NCC	2026164557	UOWHMKUQXSRUPG-CABCVRRESA-N	245.426	4.711	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)c1ccc(C2CC2)cc1	2028598236	OOYVOXYJCAYJPC-BLLLJJGKSA-N	246.394	4.670	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@H]1C[C@@H]2CCCC[C@H]21	2028785506	DKSPGFDWVVLHKJ-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C1(C(C)C)CC1	2028876115	VQOFSTTYRJACPF-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1ccccc1CC(C)C	2028916512	ZKIJTVKSYDLLLH-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1ccccc1CC(C)C	2028928122	UIEVBGOIOODVAU-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1[C@H]2CC[C@@H](C2)C1(C)C	2029603541	BLFFNPSZDSKCNG-OFQRWUPVSA-N	248.410	4.764	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)c1ccc(C)c(C)c1	2029967682	VAGMARRFSFHAKT-BBRMVZONSA-N	247.426	4.780	0	10	BJAE	
C[C@H]1CC(C[C@@H](C)c2cccc(N)c2)C[C@H](C)C1	2031801517	OIICYJXBBYLXLM-MGPQQGTHSA-N	245.410	4.835	0	10	BJAE	
Cc1cccc([C@H](N)C(C)(C)C2CCCC2)c1C	2032298739	ATFOPUHJURQKDP-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1CCC[C@H]1COc1ccc(C(C)(C)C)cc1	2032477416	BORLFYXJFOUFBC-KGLIPLIRSA-N	246.394	4.799	0	10	BJAE	
CC[C@H]1CCCC(=C2CCNC[C@@H]2CC(C)C)C1	2032489657	GLMLKCLTOLUTNO-HOCLYGCPSA-N	249.442	4.539	0	10	BJAE	
CC1(C)[C@@H]2CC(C(=O)CCCCCC3CC3)C[C@H]21	2032585794	CLSXMQFWNLVJKS-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@@H]1[C@H]2CCCC[C@H]21	2032814309	AIGQJVLSUAWCTO-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2(C3CCCC3)CCC2)C1	2033049249	VTLNMIHKIDOKTI-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCC1(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)CCC1	2033061803	XMCAETJDCWCZEP-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@H]1C[C@H]1C=CCCC1	2035594510	VRGGNNXJKRIVJA-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CCC(=C2CC[C@H](CCN)C2)CC1	2037230571	ORNYGNPXJIBKMN-JBZHPUCOSA-N	249.442	4.668	0	10	BJAE	
N[C@]1(C[C@H]2C=CCCCC2)CCCC12CCCC2	2037273067	LNOJJIGSOFDMJI-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@H]1CC12CCCCC2	2039000629	UERSDCOPKALUKZ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@H]1CCC[C@H](C)CC1	2039376046	QLUWMZZDKROFAD-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC[C@](O)(c1ccccc1)C1CCC(C)(C)CC1	2040633641	QRIQGLWKGCEXQR-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
O[C@]1(C2=CCCCC2)CCCC2(CCCCC2)C1	2040769271	PVFOLDREBUXCOC-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@]1(C)N[C@@H]1CCC12CCCCC2	2041737031	RGCGZPXAZAZEOE-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)C1CC=CC1	2042016289	IPZRXCKJABZFLK-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CC1CC([C@H](C)Nc2cccc3ccccc23)C1	2043543093	HPYJTKRJCXJSLR-OWYJLGKBSA-N	239.362	4.686	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC23CCC(CC2)C3)C1	2045451754	LYLAKBHPRXUSNM-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@](C)(CN)CCC=Cc1ccccc1	2045978005	FKBDBEMSWISHBU-QGZVFWFLSA-N	245.410	4.635	0	10	BJAE	
C[C@H](CNC1CC2(CCCCCC2)C1)C1CCC1	2046231045	BBHMZIRHANVRDK-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C(=O)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2047423893	FTUSBTQZNOQKEE-AEGPPILISA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@]1(CNC2CC2)CCC12CCC2	2047944609	ZSGHHZGQFXAISJ-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@H]2[C@H]3CCCC[C@H]32)CC1	2048470300	MVPXPFDXGLZCJT-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](NCCC1=CCCC1)[C@H]1CCCC(C)(C)C1	2049530822	YXMATVOJDNHXGX-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@@]12C=C[C@@H](CC1)C2	2049998318	UORPGSQDYMJUNA-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1[C@H](N)CCCC1CCCCC1	2050460854	NJWBIDHHBPRBHT-QGZVFWFLSA-N	245.410	4.745	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CCCCC12CC2	2053355085	HNIKQFNKNHLXAH-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@@H]2CCCCC23CC3)C1	2053362351	ZLZZSTPTIMVTAC-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccc(CCF)cc1	2055669881	PYDYDYABUOJQGR-GOEBONIOSA-N	249.373	4.579	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)C1(C)CCC2(CC2)CC1	2056538601	YGBOUFZTHNKMBX-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CC1CC=CC1)C1(C)CCC(C)(C)CC1	2056557023	OUDSIASRQFMTIP-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2CC(C3CCC3)C2)CC1	2056640499	PVEJXBSFNAHMEK-LYSZQXJVSA-N	249.442	4.501	0	10	BJAE	
CCCCN(CC1CC(CC)C1)c1ccccc1	2056759160	PXNAPAAUFBQJCZ-UHFFFAOYSA-N	245.410	4.729	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](C=C1CCCCC1)NC	2056880482	AANALUBONXDZND-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@](C)(N)C2=CCC(C)(C)CC2)CC1	2061120899	AWIUFHUCNNNOCS-KVULBXGLSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CC[C@@]12CCC[C@H]1C2	2061606215	KGCQASXTMIHLTA-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](N)CC1CC(=C2CC2)C1	2061729813	ANMQANBBPCZJGA-IRXDYDNUSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@]2(N)CCCCCC23CC3)C1	2062021921	ZAFFBNYAXBNHIX-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC12CCC(CC1)CC2)CC1CCCC1	2065279396	JKROJZJLIDFILQ-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1CC12CCC(CC1)CC2	2065336034	WKGFPCGCYSOFFY-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CC[C@H](Nc3ccc(C4CCC4)cc3)[C@H]1C2	2065657394	MRZBBNPARHRVNJ-IXDOHACOSA-N	241.378	4.555	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cc(C)c(C)cc1N	2066077832	HBJZCMGRSVOHPX-AWEZNQCLSA-N	248.414	4.512	0	10	BJAE	
CC(C)(C)CC1CC(NCC[C@H]2CC=CCC2)C1	2067984341	HRZPUGMYXQZYHO-FHERZECASA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CC1CC(N)(CC23CCC(CC2)C3)C1	2067985211	AJCARHRQBPYLGK-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)C)c1cccc(C2CC2)c1	2068819689	OKRGNNRKHDAZJY-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)c1ccc(C(C)(C)C)cc1	2068845212	RYKJIPXHQSMRRU-CZUORRHYSA-N	248.410	4.700	0	10	BJAE	
CCCC1(C[C@@H](N)CC23CCC(CC2)C3)CCC1	2069344071	GXFANAJXNXAZJG-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C1(CC2CC2)CCC1	2069513962	OSLXCBIIBABAED-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@]1(N)CCCCC12CCCCC2	2070960638	XQVQQIUVWUBVKM-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC1(CNC2CC2)CCCCCC1	2070962423	JMJYJKXNRRPUCC-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)CC[C@@H]2C[C@@H]2C)cc1	2072095044	LHUOEKWXPMKLCF-WRFANHODSA-N	245.410	4.636	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1	2072872053	XAXVBWNWTXGGBF-PEHJNBARSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@]23CCCC[C@H]2C3)CC1	2074029650	OSRZTXHFSKMWAC-MNSQOIKPSA-N	249.442	4.501	0	10	BJAE	
CN(C[C@@H]1CCCC(C)(C)C1)[C@@H]1C=CCCCC1	2075406249	YKQXUUIMTFWIFG-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1C[C@@H]1C1CCCCCC1	2079530848	RSZYLBOESWKJTO-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CC1CCCC1)[C@@H]1C[C@@H]1C1CCCCCC1	2079837781	CDWJISALEPKGFX-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@@H]2C[C@@H]2C(C)(C)C)c1	2079850164	DAGPVMGQLKEBRU-ZFWWWQNUSA-N	244.378	4.558	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@@H]1C[C@H]1C(C)C	2079871297	RRDXYPFITFHNSY-JKQORVJESA-N	249.442	4.523	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H]2CCC(C)(C)C2)c1	2082957185	DYRKKZSRLKDETI-AWEZNQCLSA-N	244.378	4.621	0	10	BJAE	
CC[C@@H](C)[C@](C)(N)CC1CC2(C1)CC1(CCC1)C2	2083618415	ZBLOFEUJHMVKMT-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC(=O)C1C[C@H]2CCC[C@H](C1)C2	2213285844	UNTPPVHHUWVMKB-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](N)CCC[C@H]1C[C@H]2CCC[C@@H](C1)C2	2213300911	YIGPFKWWYQVMAD-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CCCC1CC1	2214995616	ALHCMNLZBCABPR-UHFFFAOYSA-N	247.769	4.793	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@](O)(CC)C1CCCCC1	2215236913	MJOFEDXLHGSPRD-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)Sc1ccccc1NCC[C@@H]1C[C@@H]1C	2215311366	HKHGTOYOQXIRGC-QWHCGFSZSA-N	249.423	4.645	0	10	BJAE	
CC(=CCCCCCCC1CC1)[C@H](N)C(C)C	2216861554	HRAXYXXXBKNCPA-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CCC=CCCC1	2218718239	LTFMBTQIMYTOLO-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
C(CCC[C@H]1CCC[C@]12CCNC2)CCC1CC1	2218719192	WMSIANQTEJJJLG-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CC=Cc1ccccc1	2219067489	XAULXIMMGORCGU-SJORKVTESA-N	246.394	4.523	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C1(C2CCC2)CC1	2220047990	YLDMFMMBRKPSRO-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC1(CNC2CC2)CCCCCC1	2220659177	IUYXECIFYHIQKE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC1(CNC2CC2)CCCCCC1	2220882894	YJLJSIQZRZEEMC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CNC[C@@H](C)C1=CCCCCCCC1CC1	2223108685	FRUXFEWIDDTQTR-HUUCEWRRSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)C1(CNC2CCC2)CCC=CCC1	2223549686	UGSFPTRXBVTNPX-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C[C@]1(CNC2CCC2)C=CCC1)C(C)(C)C	2223563806	XJLPUDRUUORCIB-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@H]2CCc3cc(C)ccc3N2)CC1	2224127949	ORNRHDQSMRWOAG-OAHLLOKOSA-N	243.394	4.692	0	10	BJAE	
CCCCc1ccc([C@@H](N)C[C@H](C)CC)s1	2242599421	VRIUZDIQTVAQIT-YPMHNXCESA-N	239.428	4.527	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H]1CCC1(C)C	2243191827	BOEYVCQFKDGKMR-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)c2csc(C)c2C)C1	2246372438	XTGHZKREPCGQSO-RNCFNFMXSA-N	248.391	4.540	0	10	BJAE	
CC(=O)c1cccc(-c2sc(C)c(C)c2C)c1	2246820153	NDESOSZBSLSKIW-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
O[C@H](CC1=CCCCC1)C1CCCCCCC1	2247491331	YJZCZJITNBXMQH-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
Cc1ccsc1C(=O)CC[C@H]1CCCC12CC2	2247642664	FXIDXZWRZGHOGU-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)CCCCC[C@@H]1C[C@@H]1C	2248806687	GUKYBLZUWMDCHX-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)[C@H]1CCC[C@@H](CC)C1	2250366885	MXSLXYOATULGIF-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC[C@@H](O)C1	2250482535	VGHSZPMYPSOYQV-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(C)CC[C@H](N)C1	2250486866	UVKIFOSWCQXUQD-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)CC1(C)CC(C)C1	2253653919	HDXSWZDOHPMGPV-LYSZQXJVSA-N	249.442	4.667	0	10	BJAE	
CC1CC(C)(C[C@]2(N)CCCC23CCCCC3)C1	2253654242	JCEPDUXAUOBIRT-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCC1CC1)CC[C@H]1CCCCC12CC2	2253859785	YEJCZDUQKGYDHN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2C[C@@H]3CC[C@@H]3C2)C1	2253910988	NSXJPNWBLDGTKM-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CC[C@H]3CCC[C@@H]32)C1	2253926425	ADEYGCJEQVUSOX-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC[C@@H]2CCCC23CC3)CC1	2255313659	SHRPNORZTYFAIR-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H]2CC=CCC2)cc1	2256238953	RQHGVCHCNFDSDH-OAHLLOKOSA-N	242.362	4.568	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)[C@@]1(C)C=CCCC1	2257242654	VDXNGTAFKJVCKE-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CCCC23CC3)c1	2257884360	CZTFLEBCKNVBEY-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1(c2ccccc2)CC1	2259438056	NZEKCXHXXAGZIS-CQSZACIVSA-N	244.378	4.504	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@]23CCCC[C@H]2CC3)C1	2260530701	ISNPLHMUJNAGJX-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)[C@@]23CCCC[C@H]2CC3)CCCCC1	2260547730	QWCRSSGPIMJIHQ-WMLDXEAASA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@]12CCC[C@@H]1CC2	2260564070	DFUIPCQFHGLKTF-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccccc1NC[C@@]12CCC[C@@H]1CC2	2260574324	MJYFHUHGXNPHQO-PBHICJAKSA-N	243.394	4.802	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@]12CCCC[C@H]1CC2	2260588965	VOADEPLLLDRFCQ-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@H](C)CC1CC1	2298853630	PMCDAVLOHASIJK-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CC1)[C@@H](CC)CCC	2298906703	BFNAAWHIYUAMEH-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H](C)CC2CC2)CC1	2298911696	QSTOOFSFMQRTEE-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CCc1cccc2ccn([C@@H](C)CC3CC3)c12	2298936903	USIBSMJUZBMTCO-LBPRGKRZSA-N	227.351	4.565	0	10	BJAE	
CCC(CC)CC[C@H](CNC(C)C)C1CCC1	2300677347	YPPMXHZNVSRFON-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	2300683055	FSKPWSOAGPEFCW-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@H](O)C(C)(C)C1CCCC1	2300684663	WSESEYLJUDBYRY-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@H](C)C(C)C)C1CCCCC1	2301706489	GFMBWODIAUOALB-YCPHGPKFSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C[C@@H](N)CC1CCCCC1	2301836321	LVHXQJSMKPUUJI-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)[C@@H](C)C1CCCCC1	2301970958	JXCWTXPXUWBMLJ-ZNMIVQPWSA-N	239.447	4.568	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1CC(C)(C)[C@H]1C	2302115388	MWMJPAJBGKWIOP-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(CCCC2=CCCCC2)CCCN1	2302324689	ZYPAYDIZLLPIGI-INIZCTEOSA-N	235.415	4.579	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1CCC(C)(C)C1	2302875289	GYKRFSFNEVHIBW-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCc1cscc1NC1CC2(CCCCC2)C1	2302890880	ZLGSZOZEQQXEIS-UHFFFAOYSA-N	249.423	4.835	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CC[C@H]1C(C)(C)C)NC	2303478374	PQXDWQFNRGOXJB-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H](CC1CC1)C1CC1	2303739088	YIKYVPQJTMYCJU-HNNXBMFYSA-N	249.785	4.639	0	10	BJAE	
CCC(CC)C[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2304413457	VXSGQTGSVASKEZ-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@H]1CCC1(C)C	2307819358	KSZCXGSQEPTRHA-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@H](CCC)C(C)C	2307905845	ZWURFQYQPWFIPU-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H]1NCC[C@]12C[C@@H]1CCCC[C@]1(C)C2	2310194298	CNFWAOJOKVDUFK-YLFCFFPRSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)C[C@@H]2CC[C@H]1C2	2312597099	YPYCNZZNXXRZON-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)[C@@H]1C[C@H]1C1CCCC1	2312767468	CILXXORTKRPMOO-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CCC(=O)c1ccc([C@@H]2C[C@@H]2C)o1	2316269077	PZENPJVNCPYAKI-WCQYABFASA-N	248.366	4.802	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)c1ccoc1CC	2316504314	UUWLKLJITMVVOI-HNNXBMFYSA-N	249.398	4.629	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1cccc(F)c1C	2316508405	JXQCXLBDVBKXIE-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC[C@H]1CCNCC1=CC=C(C)CCCC(C)C	2316534688	CDHSGURAVNPEOM-INIZCTEOSA-N	249.442	4.705	0	10	BJAE	
CC(=CC[C@H](N)[C@@]12C[C@H]1[C@H](C)C2)CCCC(C)C	2316571307	RRZJMGALDIFSOJ-QZWWFDLISA-N	249.442	4.523	0	10	BJAE	
Cc1ccccc1[C@](C)(N)CC1CCCCCC1	2316880733	YSTMPEFANMQUEN-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN(C)CCC1=CCCCC1	2320024831	YAYSYOGCJSUUFZ-WBVHZDCISA-N	249.442	4.635	0	10	BJAE	
CC(C)CCC[C@@H](O)Cc1cccc(C(C)C)c1	2320622950	KFQNWBPGFNVZMA-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
CCCCC(C)(C)NCc1cccc(C(C)C)c1	2320630271	DPJUEBZGBACZQY-UHFFFAOYSA-N	247.426	4.868	0	10	BJAE	
Cc1cccc(NCC[C@@H]2CCC(C)(C)C2)c1C	2321599409	JTPSVVQQBSOSJD-HNNXBMFYSA-N	245.410	4.932	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@H]1Nc1ccc(F)cc1	20006336	ZHMDGRSRFFWBJC-GJZGRUSLSA-N	249.373	4.843	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H](C)c1ccccc1C	20559110	QAQQFULBBNWVBR-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(CC)cc1	21810195	TUVJKBBOMJNVAG-ZDUSSCGKSA-N	219.372	4.630	0	10	BJAE	
CCN[C@@H](CCC(C)C)c1c(C)cc(C)cc1C	35547773	DJWCVWGSGDQVRR-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CC(C)c1ccc(CCCCNC(C)(C)C)cc1	71029423	QYVDYQJNWWQAHK-UHFFFAOYSA-N	247.426	4.521	0	10	BJAE	
CCN[C@H](CC)CCCc1ccc(C(C)C)cc1	80417049	CPWGMMODABZORV-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](CCC)CC[C@@H]1N	82434155	USTGWWZAZQNSFS-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc(C(C)C)c1NCc1cccs1	83374540	CAQRVCGMNFYUOY-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CCCCCC[C@@]1(CCC)CCCCCN1	85875935	GVAZMULGOBFEBQ-HNNXBMFYSA-N	225.420	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(F)cc2)CC1	86893863	DXXNIRPCKKXUDT-TZMCWYRMSA-N	235.346	4.597	0	10	BJAE	
CCC1CCC([C@H](N)c2ccc(C)cc2C)CC1	87934293	UYMNTSHBSYOGHR-DQPZFDDXSA-N	245.410	4.520	0	10	BJAE	
CC(C)(C)[C@H](O)c1ccc(Cl)c2ccccc12	93656953	WMDMQLAKPAZHFC-CQSZACIVSA-N	248.753	4.573	0	10	BJAE	
CC[C@@H]1CC[C@H](c2nc(C(C)(C)C)cs2)C1	131910278	XLEQEBOOVADYGW-MNOVXSKESA-N	237.412	4.734	0	10	BJAE	
CCC1CCC(c2ncc(C(C)C)s2)CC1	132190457	GOSRTPCOXLCFRF-UHFFFAOYSA-N	237.412	4.950	0	10	BJAE	
C[C@@H](N[C@H]1CCC(C)(C)C[C@H]1C)c1ccccc1	159809627	ZVLVQJZTYRCDGM-FMKPAKJESA-N	245.410	4.552	0	10	BJAE	
CCC[C@@H](C)C[C@H](CCC1CCCCC1)NC	162075196	SHGAGHGBVAOTBM-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](O)c1ccc(CC(C)C)cc1	165648117	DQLDQEGHFHWVCH-QGZVFWFLSA-N	248.410	4.745	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1cccc(C)c1F	165806225	DBLHJWDWHZOFAZ-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
CCC(CC)C[C@]1(O)CC[C@H](C)c2ccccc21	167664674	GUCQMBSEPRUPJJ-SUMWQHHRSA-N	246.394	4.598	0	10	BJAE	
CC1(C)CCC([C@H](N)C2CCCCCC2)CC1	167759075	HVTDBBXCVPWDHV-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CN)CC[C@@H](CC)C1	227436275	OAMXPYUEQYAMJH-ARFHVFGLSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1ccccc1C(C)(C)C	229270448	LCCYPGUPVQAUAB-CJNGLKHVSA-N	248.410	4.844	0	10	BJAE	
Cc1cccc([C@H](O)CCC2CCCCC2)c1C	229346179	RLNXGPICTXAHOO-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
C[C@H]1C[C@H](C2CCCCC2)c2ccccc2N1	235695736	DUXSHVRDBQRIQJ-SWLSCSKDSA-N	229.367	4.555	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](CC)c1ccc(C)cc1	251662657	BXEWBHSKADQXFT-YSVLISHTSA-N	247.426	4.860	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H]([C@H]2CCC[C@@H](CC)C2)C1	252616503	ZXCOMPIFBDSGSY-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)c1ccc(C(F)(F)C2CC2)cc1	258952586	FGDVLNLYETUJRF-SNVBAGLBSA-N	224.294	4.702	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccc(C2CCC2)cc1	305939235	AXLZFPZTINWOTC-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
Cc1cc(C)c(-c2csc(C(C)C)n2)c(C)c1	306035699	MDNTWETZEOJZQV-UHFFFAOYSA-N	245.391	4.859	0	10	BJAE	
Fc1c(C(F)F)sc2ccc(Cl)cc12	306679278	HNVJLXSLMDTOCS-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1cc(Cl)cc2sc(S)cc12	306942053	RQADWZTZFQDPCU-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Fc1csc2ccc(C(F)F)c(Cl)c12	307440880	YJJYWSKCHXFBBE-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC1(CC)CCC1	308035717	SUGZVECJGIJCTM-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CC(CC)CC)NC	308053778	OIEBUQANUVNCOD-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H](CC)CC(C)C	308075982	VICOMJCRDAYUGV-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H]1CCC[C@H](C)C1	310236907	KVJDWDXYFBFIKE-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC[C@@H](n2ccc3c(F)cccc32)C[C@H]1C	310557619	SRIHSIWFNLCGLL-JHJVBQTASA-N	245.341	4.778	0	10	BJAE	
C[C@@H](CC[C@H](N)c1ccccc1)C1CCCCC1	311092497	RFRZSHUBODURET-YOEHRIQHSA-N	245.410	4.683	0	10	BJAE	
CC(C)CC[C@@]1(CNC(C)C)CCC[C@H](C)C1	317586232	IKUSROFQUDDZBE-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@](CNC2CC2)(C2CCCC2)C1	317812418	NFFQRJZFCFIRQB-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)(C)C)[C@@H](C)C(C)C	319777890	GKACZWQUJVQUGR-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](C)C(=O)CC/C=C/c1ccccc1	323821945	QTRGWBLIDUUHCG-NRUITVPNSA-N	244.378	4.875	0	10	BJAE	
CC(C)(C)[C@H](N)CCCC/C=C/c1ccccc1	324108772	FRQQPWJVVKPQQV-AYAUWGRQSA-N	245.410	4.634	0	10	BJAE	
CCC1CCC(Oc2ccc(C)c(C)c2)CC1	379782783	XVWAQFMMVSNZFF-UHFFFAOYSA-N	232.367	4.651	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@@H](C)C(C)C	383380968	MBLGLESCHWUCHO-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCC[C@]1(O)C[C@@H](C)C[C@@H](C)C1	383523837	LFVLTSCXNAWZSE-MUJYYYPQSA-N	240.431	4.780	0	10	BJAE	
CC1CCC(C[C@H](N)C2CCCCCC2)CC1	383685167	POHCVELYWARZDN-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C1(C)CCCC1	385929871	UPSOMIVCPDWQSN-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
Cc1cscc1N[C@@H]1CCCc2ccccc21	387289892	HXCKDYJHRCGVHI-CQSZACIVSA-N	243.375	4.546	0	10	BJAE	
CCCN[C@H](C)/C(C)=C\[C@@H]1CCC[C@@H](CC)C1	394532558	ZDMOKRNNBNFVFG-ZRXJQWSSSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC(C)(C)NCC1(C)CCCCC1	394592866	JATOTRBECGPOEP-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)CC(C)(C)C	395028163	UBXHDCGOWGYNEF-UKRRQHHQSA-N	228.420	4.780	0	10	BJAE	
CCC(CC)C[C@H](O)c1cccc2ccsc12	395368805	OBNYHNPARFUBJI-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)C1CCCC1	395653674	MTOUBOMMVHHTOC-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCc1csc2cc(F)cc(C(F)F)c12	396191583	CWSBGSATEKVLNL-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
Cc1cc2c(C)ccc(C(F)(F)F)c2s1	396194227	HGHNBQPGWBATPJ-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CC(C)=CCCN[C@@H](C)c1cc(C)c(C)cc1C	397758877	JKRCZIMRFKZGQB-INIZCTEOSA-N	245.410	4.619	0	10	BJAE	
C[C@H](Cn1ccc2c(Cl)cccc21)C1CCC1	398610424	FZYSLRQEFMIQRM-LLVKDONJSA-N	247.769	4.731	0	10	BJAE	
CCCCC[C@@H](C[C@H](C)C1CCC1)NCCC	398688302	FXAZWTTWKSYWPJ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C1CC1)[C@H](C)CC	405800058	JYAPQRYPNZXZPD-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CNc2ccc(Cl)cc2C)CC1	687546041	HGMFKYGWTOZTLO-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
C[C@@H]1C[C@H](CCCC2CCC2)Nc2ccccc21	688373951	JONHOEDJUVYTES-HIFRSBDPSA-N	243.394	4.945	0	10	BJAE	
CCc1cc(C)cc(CC)c1NCCC(C)(C)C	690190655	YZGGPFSPVDNHCS-UHFFFAOYSA-N	247.426	4.968	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1CCCC2(CC2)C1	695716051	IYOWLGJUFQKAQU-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCC1CCC(CN)(CCC(C)(C)CC)CC1	696783435	RIIRDRJCUMKPCG-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CC(C)=CCCNc1cccc(Cl)c1Cl	697769973	BFYPVQCROYOIBW-UHFFFAOYSA-N	244.165	4.762	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@H]2C[C@@H]3C[C@@H]3C2)cc1	698031633	JZRRKLCDHYQMCB-LUYZLQTOSA-N	244.378	4.625	0	10	BJAE	
CC(C)(C)c1ccnc(NC2CCCCCC2)c1	699599450	GPNNFAKEZPZKGF-UHFFFAOYSA-N	246.398	4.514	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C2CC(C)(C)C2)cc1	701504391	SSCVCGQHDGLRHC-GFCCVEGCSA-N	244.378	4.819	0	10	BJAE	
CC(C)C(N[C@@H]1CCCC(C)(C)CC1)C(C)C	704898037	TWGNNDFFBBLQMF-CQSZACIVSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CCC1CCCCC1	704930036	QTPAGTKXVZPCFI-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CC[C@H]3CCC[C@H]32)CC1	707841569	AESULTILUIOQGX-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@@H](C)CC(C)(C)C)c1	708265098	UVKQQKRHKFECQR-XJKSGUPXSA-N	247.426	4.882	0	10	BJAE	
C[C@@H](C[C@@H](C)C(=O)c1ccccc1)CC(C)(C)C	709271655	JVNSFUGHDVVULW-UONOGXRCSA-N	246.394	4.968	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C12CCC(CC1)CC2	710161636	XLCUHMYPQJODTI-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC/C=C\c1ccccc1	710242079	CLVDVLXUPBHRJP-LJEUOOAZSA-N	245.410	4.634	0	10	BJAE	
CC[C@H](C[C@H](NC)c1cccc(C)c1)C(C)(C)C	711099478	WFDWLKVXUGJBAL-CVEARBPZSA-N	247.426	4.718	0	10	BJAE	
Cc1ccc(CCC(=O)C[C@@H](C)C(C)(C)C)cc1	711129532	JTBRJHDLDSZAJX-CQSZACIVSA-N	246.394	4.569	0	10	BJAE	
CC[C@H](C[C@H](CCC=C(C)C)NC)C(C)(C)C	711200871	VWRNYISQQSYYDK-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C1CCCC1)C1CCC1	711830822	GDMGCLUCPDORAC-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CCc1ccccc1N[C@H]1CC(C)(C)CC[C@@H]1C	713056998	GATZXZOCHIYNEZ-BBRMVZONSA-N	245.410	4.876	0	10	BJAE	
C/C=C/[C@@H](C)Cc1ccc(C(C)C)cc1	714539579	BZAZFYRSKDBTDZ-URWSZGRFSA-N	202.341	4.565	0	10	BJAE	
CCN[C@H]1CC(C)(C)CC[C@H]1CCC(C)(C)C	717532914	MPEQBSRFPPTITM-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C(=O)C2CC3(CCC3)C2)CC1	717601701	PCHGINBEGGPBAL-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C)[C@H]1CC2CCC1CC2	718534650	UREYSBXPPRCCSH-RDHHWEPZSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H](C)CC(C)(C)C	718773025	MQQVSLHVHKWEBK-ZDUSSCGKSA-N	224.388	4.764	0	10	BJAE	
CC[C@H](CC1CCCCC1)Nc1ccc(F)cc1	720942295	DPGQGPGGGWWWRV-OAHLLOKOSA-N	249.373	4.987	0	10	BJAE	
CC(C)C[C@H](C)CSCC1CCCC1	1644290666	FEUDEJGCXGWPLG-LBPRGKRZSA-N	214.418	4.592	0	10	BJAE	
c1ccc(N(CC2CCCCCC2)C2CC2)cc1	1658659496	BZOYQFCSIKXSOZ-UHFFFAOYSA-N	243.394	4.626	0	10	BJAE	
CCC(CC)c1cc(C)c(Cl)cc1F	1889481845	ZJEIIUVXDSQCQJ-UHFFFAOYSA-N	214.711	4.691	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1C[C@H]1CCC	1897616855	GKEAHLLUEFQROE-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
COCC[C@@H](C)CC=C(C)CCCC(C)C	1900824876	BIAUTKQVTYHQPD-HNNXBMFYSA-N	226.404	4.822	0	10	BJAE	
CC(C)CCCc1ccc(C2CCC2)cc1	1901885593	XLQZGMYQBARSBF-UHFFFAOYSA-N	216.368	4.933	0	10	BJAE	
CCCC[C@H](C)c1nc([C@H]2CC2(C)C)cs1	1901913423	ZLWXPCSSAHKUAN-WDEREUQCSA-N	237.412	4.950	0	10	BJAE	
CCC[C@@H](CC)CC1(N)CC(CC)(CC)C1	1905365264	VYOKAYWUAIXOTB-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@H](CC)CCC	1905374528	PELNTXQVCGPCBP-UKRRQHHQSA-N	228.420	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)CCCC(C)C	1905452033	BHLPHXYVZPOQNX-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@H](CC)CC(C)C	1905453917	NOCPAQBAXMHYID-RRFJBIMHSA-N	228.420	4.636	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@H](C)C(C)(C)C	1912052750	JRCVZXHQIWESNT-AWEZNQCLSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](CC)CNc1ccnc(C2CC2)c1	1913023744	XNPDRFGLIDTDSN-ZDUSSCGKSA-N	246.398	4.587	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1CCC[C@@H](C)C1	1919522253	HOMCAQSHQFOUGC-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@](O)(c1ccccc1)C(C)C	1919936359	ZPAJPIYCIDBROC-RDJZCZTQSA-N	248.410	4.603	0	10	BJAE	
CCCC1CC(CNCC)(C[C@H](C)CCC)C1	1921206600	GSQAVWAIHRJUET-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@H](C)C1CCCC1	1924114616	APSNYUVPXLFMET-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C1=C[C@@H](Cc2nc3ccccc3s2)CCCC1	1925816148	DFNDQQCPGPWAGI-GFCCVEGCSA-N	243.375	4.585	0	10	BJAE	
Fc1cccc(F)c1CC[C@@H]1C=CCCCC1	1925825441	UCXYMQVJYMZRNF-GFCCVEGCSA-N	236.305	4.644	0	10	BJAE	
C1=C[C@H](Cc2ccc3c(c2)CCCC3)CCCC1	1925831003	VTBLHRBNDWXPGX-HNNXBMFYSA-N	240.390	4.854	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H](CC)C(C)C	1936645587	OJFRDIGOUCOPTP-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)CC1(C)CCCCC1	1940414180	HYYLUYXLPWLJLB-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](O)CCCC1(C)CC1	1940870283	SBHFHWNXVRYWRC-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](O)C(C)(C)C(C)(C)C	1940880597	BHDZGINAGXFEQK-OLZOCXBDSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(F)c1cccc(N)c1	1940981189	GYNCMYRPOUYCET-SWLSCSKDSA-N	237.362	4.526	0	10	BJAE	
CC(C)[C@H](N)CCC1CCC(C(C)(C)C)CC1	1941145367	YHPNJTQNTIRTOA-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)C[C@@H](C)C(C)(C)C	1941243905	QAUCFSVRJBBOKB-RBSFLKMASA-N	242.447	4.738	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CC(C)(C)CC2(CC2)C1	1943081283	PKUUYERXDKDEFO-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C(=O)c1cccc2sccc12)C1CCC1	1945963712	XXCBYMQZHWSPAW-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@@H]1C=CCCC1)C(C)(C)C	1947582323	RNOVAPDYHTVLPL-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(N)CCCCCCCCC1	1947864267	FMYCVQXNWVKLJL-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CCC(F)(F)CC[C@@H](O)CCC1CCCCC1	1947885447	RQJOCEHTFHQEDY-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CCC(C)(C)C1CC1	1949035575	UXAUBNLDQYAZPA-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@]1(CNCCC)CC12CCCCC2	1950598011	BMSIBQLEQMRPDE-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](O)CCC2CCCC2)CC1	1950911380	ODUKYSXGWZPCHR-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C1CCC(CCCN[C@@H]2CC[C@@H]3CCCC[C@H]32)C1	1965869639	FOUQTWJOFPRWRJ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)CN1c2ccccc2CC[C@H]1C	1968429169	ALDPNZYQGZSWGR-HUUCEWRRSA-N	245.410	4.510	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@@H](C)c1ccccc1	1968436536	NLAPROVKYUMWRZ-JKSUJKDBSA-N	247.426	4.896	0	10	BJAE	
CCC[C@H](NCC12CCC(CC1)C2)C1CCCC1	1970847253	CZMDIKPNLHIMJI-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1ccc2sccc2c1	1977425944	LUYFPCHLXZPMDO-MFKMUULPSA-N	231.364	4.502	0	10	BJAE	
CCC1(CC)CCC(Nc2ccsc2)CC1	1981063953	SSGXCARIDGYSSS-UHFFFAOYSA-N	237.412	4.909	0	10	BJAE	
CCCCCC[C@@]1(CN)CCCCC1(C)C	1981854095	SJTVETKRSQUTOP-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC[C@H](C)C1=O	1993963389	CHYXCGURWDGTMJ-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC(C)(C)CC	1995214807	PLUFUEYVOIGGPN-CYBMUJFWSA-N	226.404	4.988	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)C(CC)CC	1995260551	WSGYPXBIKNEGFP-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CC1(C)CCC([C@](C)(O)CC2CCCC2)CC1	1996554345	RYYYUAXFOGCGPS-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@](C)(N)C1CCC(C)(C)CC1	1996562110	RYWWOCRVLMJSMI-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CC1(CCCN[C@@]2(C)CCCCC2(C)C)CC1	1997421602	IHDQVNQCCXBLPX-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(N)C1CC(C)(C)C1	1998649688	MSWNJOAIEPGGKV-MLGOLLRUSA-N	239.447	4.602	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@@H](C)CC(C)C	2000294286	QQKAQTOYEPZWDW-NOLJZWGESA-N	236.399	4.620	0	10	BJAE	
CC(C)CCCCC[C@]1(CN)CCC12CCC2	2001851355	MTAHFVFBEWQVKI-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(CN)CCCC(C)(C)C1	2002975216	XDETXSYIGZAMJL-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@]1(C)C=CCCC1	2003327634	XJZXSLZGNUTWEK-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H]1CCC[C@@H](C)C1	2004726092	YAVDTNMWCQVPBK-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CCC1(C[C@H](O)C2(C)CCCCCC2)CCC1	2004923601	SGZCUHWPQCALGU-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](NCC1(C)CCC(C)(C)CC1)C(C)C	2007681587	NITQVZSFIXRHEL-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CC1CC(C(C)C)C1	2007736936	FCZUURYNQKEWIG-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CCC1CC(C[C@H]2CCCCCCCC2=O)C1	2007769048	JILAGAJSVWSHFC-YMAMQOFZSA-N	236.399	4.742	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H](CCC)CC(C)C	2007856758	GGRXIEXUZIDCSA-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@]1(O)CCCCC[C@@H]1C(C)C	2009587933	HTKJBCYHVQLAAJ-SGFLJFKBSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCCC1(CNC)CCC(C)(C)CC1	2009628017	LRXZNNJHTPOBDD-AATRIKPKSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)[C@@H](C)CCC	2010624297	QPDFNJPCGDTOIW-YCPHGPKFSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](O)C1=CC[C@H](C(C)C)CC1	2010713867	GAFRWJGWNNAGOF-DZGCQCFKSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@](CC)(CNC(C)C)C(C)C	2012424824	GYIFIFAEBLYARG-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@H]1CCC[C@@H](C)C1	2013274793	UKMFZWTWSHLVNB-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CC(C)C1(C[C@@H](N)C(C)(C)C(C)(C)C)CCC1	2017149009	VMGNHLUONWHZPD-CYBMUJFWSA-N	239.447	4.602	0	10	BJAE	
CCNCC1(CC(C)=C(C)C)CCCCCC1	2017464482	AZHWRPROKXCPRK-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCC1CCC(C[C@H](O)[C@H](C)C(C)(C)C)CC1	2017648872	QHQJVHAAJADIOY-PPWQZUPISA-N	240.431	4.636	0	10	BJAE	
CC[C@]1(C[C@H]2CC[C@H](C)CC2)CCCCCN1	2017720532	HFESAFLCYQBXAW-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(C[C@@H](N)C(C)(CC)CC)CC1	2017723393	JKBOUWDSEBAOLR-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC1CCC(CCC)CC1)NC	2017727778	DFKIRJBHPWVPHV-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)CC(C)(C)F)CC1	2017777680	JNUPADRHPUBOBT-JOCQHMNTSA-N	242.378	4.690	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@H]2CC[C@H](C2)C1	2018080826	SPJLOFWLATYVPG-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CC1(c2csc([C@H]3CCCC34CCC4)n2)CC1	2018302828	PBXYQGBDTXSXNM-LLVKDONJSA-N	247.407	4.632	0	10	BJAE	
CCC1(C[C@](C)(N)[C@@H]2CCCC(C)(C)C2)CC1	2018915084	CWJTYKUHOPZGCI-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC[C@H](CC2CCCC2)NC)CC1	2018987552	LOVGMSVQGJFLLJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CC1(CCC)CC1)NC	2018995503	PHEVSNLOFRYQPM-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@@H](CC)CC2)CC1	2019000980	OIKYNAALZSSJRB-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@H](C)C(C)(C)CC	2019199281	KJBWHLUUYHFPQP-RBSFLKMASA-N	239.447	4.712	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H]1CCC[C@H](C)C1	2019344036	IKDIKPHQUSAZKX-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CC(C)C1(C[C@@H]2CCCC(C)(C)C2=O)CCC1	2020393465	UHAOFOPKGCONDO-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCC1)c1cc(C)c(C)s1	2022682849	HEQBSFZHMSVIJF-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCC[C@@H]2CCCC[C@@H]21	2022991372	JHGAASYPDTXTDQ-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CNCC)CC(F)=C1CCC1	2023196326	NOJAGNKVQPWQPD-HNNXBMFYSA-N	241.394	4.590	0	10	BJAE	
C[C@@H](C[C@@H](N)CCCCC(C)(F)F)C(C)(C)C	2023278176	IHMHAOOCTQTIEU-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)CCC2CCC2)C1	2024100759	FRXIQVQJFAAQPS-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@H]1CCCC(C)(C)C1	2024124223	ORPATKCADUJPAR-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@H](CCC1(F)CCC1)NCCC	2025278774	AYNRUJZMFAYBJO-AWEZNQCLSA-N	243.410	4.607	0	10	BJAE	
CCC1CC(C[C@H](CCC(C)=C(C)C)NC)C1	2025432320	KIXUUKVWGNLEEB-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1C[C@@H]2CCCC[C@@H]21	2028761409	FCJNSPNZJBHXAI-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCc1c(C)nn(C(C)(C)C)c1C	2030370986	RRHQWPOSBSDEQW-UHFFFAOYSA-N	248.414	4.544	0	10	BJAE	
CN[C@H](C1CCCCC1)[C@@]12CCCC[C@H]1CCC2	2031754092	GXBQKZIJAMHKOV-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](N)[C@]23CCCC[C@@H]2CCC3)CCC1	2031762934	ZGCDVPNAWUHHFM-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C1=C(CCN[C@]23CCCC[C@@H]2CCC3)CCCC1	2031798268	KVGSJHYYSVWTDZ-SJORKVTESA-N	247.426	4.579	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@H]1C)c1ccccc1	2032512392	AODMDPQVSAWZBI-HLLBOEOZSA-N	245.410	4.554	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC1[C@H]2CCCC[C@H]12	2032837336	VCLPVGWMGYIJRM-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@H]1CCC(C)(C)C1	2033392913	CLPCQCLSQXPHHS-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@H]2C=CCCC2)CCCC1	2035575222	FWAKJQIRNGAXSL-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C[C@@H]1C=CCC1	2035575945	LNDJDMOMEJHWRZ-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)NC[C@]1(C2CCCC2)CC12CCCC2	2036096094	SRRJQRQFMROPHC-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@](C)(N)c1coc2ccccc12	2037123640	QCPQEBFWLQDZKX-MRXNPFEDSA-N	245.366	4.577	0	10	BJAE	
CCCN[C@H](C1CCC1)[C@@H]1CCC2(CCCC2)C1	2037579553	JOEXHCUEIDXVGD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)C2CC3(CCCCC3)C2)C1	2037685166	DZPZDYOUGGOPHE-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CC1CC2(CCC2)C1	2038086034	RARPUULAGIHCDW-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)C2CCC(C)CC2)c1	2040633173	MDRYHFRSNFUFPV-NRAUKZCXSA-N	245.410	4.930	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1C[C@H]1CCC=CCCC1	2045329359	NHKDAWGKMYGGDK-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1[C@H](O)C[C@@H]1CCC=CCCC1	2045335675	VFLXFOSGGMSRRH-NVXWUHKLSA-N	244.378	4.555	0	10	BJAE	
CC1(C)CC(CC2(N)CC3(CCCCCC3)C2)C1	2046230533	TVYNBAKEZFNHTB-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
FCC1(CNc2ccc(C3CCC3)cc2)CCC1	2046900366	HAUURPFGOCFBJU-UHFFFAOYSA-N	247.357	4.506	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1C[C@]1(N)CCCCC12CCCCC2	2047558430	UZPOGVROCVTRQR-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@]1([C@@H]2[C@H]3CCCCC[C@H]32)CCCCCN1	2049226214	XAZGXDQUYNDSMI-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](NC)[C@@]2(C)C=CCCC2)C1	2049998653	WVBUTMQHNXBUJX-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(CNCC2(C3CCC3)CC2)CCC1	2051914639	MTUIWPHPMBMJKP-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1CCC([C@@H](C)N[C@@H]2C=CCCC2(C)C)CC1	2055528339	REVGXASTUULNBM-GYTBAZASSA-N	249.442	4.536	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccc(CCF)cc2)CC1	2055668069	AWMNMEAOPCTEQR-DZGCQCFKSA-N	249.373	4.579	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNc2ccc(CF)cc2)C1	2055668765	WSYJYUOVRXZGTK-DZGCQCFKSA-N	249.373	4.784	0	10	BJAE	
CC=CCCC[C@H](NCCC)c1cc(C)oc1C	2059258798	JQGWQSFUPASCMO-INIZCTEOSA-N	249.398	4.684	0	10	BJAE	
CN[C@H](C1=CC[C@@H](C(C)C)CC1)C1CCCCC1	2061089032	QIYXUZKHNBSBFT-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC2(C1)CC(N)(C1=CCCCCCC1)C2	2061113171	MQSDDFGSIWZCGX-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)C1(C)CC(C)(C)C1	2061147831	QLRMHBAAJZSZIW-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1=CCC(C)(C)CC1)[C@@H](C)C1CCCC1	2061148933	YTLDKMTXCVGCEX-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CC[C@]23CCC[C@H]2C3)C1	2061601589	IOVICUVPMUWQLQ-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc2c(ccn2CC[C@]23CCC[C@H]2C3)c1	2061604493	ZSBRCDQALHLBSF-RDJZCZTQSA-N	239.362	4.530	0	10	BJAE	
O=C(CCC1CCCCC1)CC[C@@]12CCC[C@H]1C2	2061607337	QGRXDSAPHBQJGD-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)CC1CC(=C2CCC2)C1	2061683209	VDLLZMILLPBGGI-IRXDYDNUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC(C)C)CC1CC(=C2CCC2)C1	2061726265	NYNXJTOZABFIOW-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@](N)(CC23CCC(CC2)CC3)CC[C@H]1C	2065339365	LRIPZZQCRYXXOC-CWHQUEMWSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C)C[C@@H]1CCCc2ccccc2C1=O	2068991017	JWZPNNNFEPLWNQ-HIFRSBDPSA-N	244.378	4.504	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)C[C@@H]2CC23CCC3)C1	2069175498	BQHXLMKCZQTNSR-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1([C@@H](O)c2cccc(C(C)C)c2)CC1	2069521856	QKEFCOYREJOQPB-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C1(CC2CCC2)CC1	2069566219	IKAKJBVVBQFZML-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CNc1cccc(C2(C)CC2)c1)C(C)C	2070283407	WHSWVVUPJVSFMT-AWEZNQCLSA-N	245.410	4.832	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C1CC2(C1)CC(C)(C)C2	2070307634	HNEWNTORDYZQNG-MRXNPFEDSA-N	249.442	4.667	0	10	BJAE	
CC(C)=CCC[C@H](C)NC1CC2(CCCCC2)C1	2070399794	SPBAXYUHCBXNMX-HNNXBMFYSA-N	249.442	4.824	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CCCC1	2071186464	LPFDGXXBMWWSLT-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCNC[C@]1(CC(C)=C(C)C)CCCCC12CC2	2072411827	UQNXHYPUVVBBLI-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCc2ccccc21	2073341577	KZDHWOOICVLANC-NVXWUHKLSA-N	245.410	4.622	0	10	BJAE	
CC1(C)CCC(CN)(C[C@]23CCCC[C@H]2C3)CC1	2074028150	FUESBBVVNPBAHP-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CCCC1(CC2(CNC3CC3)CCCCC2)CC1	2074626614	MBBLVTFDBGLBKV-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC[C@]2(CCN2[C@@H]2C=CCCCC2)C1	2075406573	BUHGAZNBNTZFMA-WBVHZDCISA-N	247.426	4.530	0	10	BJAE	
CCCCc1ccc(C(N)(CCC)CCC)cc1	2078002617	CCRXMWHWAKMNJS-UHFFFAOYSA-N	247.426	4.783	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@@H]2C2CCC2)CCCCCC1	2079312442	QAOAKWFUAJEHQC-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC1(CCCN[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079532161	VRWLTBXMNCISEI-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)c1ccc(C(C)C)cc1	2079632450	HOTSUOHOKLYZPD-IKGGRYGDSA-N	245.410	4.636	0	10	BJAE	
C[C@@](N)(C[C@H]1C[C@H]1C1CCCCCC1)C1CCC1	2079830420	AZBRSLBLWLFJSB-HYVNUMGLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)c1ccccc1C(C)C	2079840618	DANIDDKSDPDJQC-UONOGXRCSA-N	244.378	4.819	0	10	BJAE	
CC(C)(C)NCC1(CC=C2CCC2)CCCCC1	2081676726	ATSJDSHSUQUEAV-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(C)[C@@H]2CC[C@H](N)C2)CC1	2082163297	YAPNOHKURYEVOU-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](C[C@@H]2CCCC(C)(C)C2)CC1	2082984189	YTRFAOPKVKQDSC-JYJNAYRXSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@H](O)CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213300198	MDCIHYQXZQMXDC-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CCCCC1CC1	2214558569	PRRGVTJZLUCBOC-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](C(=O)CC1(C)CC(C)(C)C1)C(C)C	2215440830	UGSNQVWFXFGSSU-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](NCC)[C@H]1CC[C@H](CCC)CC1	2216286596	WJQSPENIEIKTRE-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)C[C@H](C)C(C)C	2217124686	JNYXUGHYKFRDCZ-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@@H](C)CCC(C)C	2217146998	FPANHCZSBZTJGX-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)(CNC1CCC1)[C@@H](C)CC(C)C	2217153097	JOQCALJDGLGOOJ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)[C@]12CCC[C@@H]1C2	2218727258	QJRPPNTVROEXFZ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@]12CCCC[C@@H]1C2	2218728399	URKFCJKIFVUCOV-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](Nc1ccnc(C(C)C)c1)C1CCC1	2220870039	ZSFQCGYXEPXNBP-OAHLLOKOSA-N	246.398	4.586	0	10	BJAE	
CCc1cccc(CC)c1NCC[C@H]1C[C@@H]1CC	2220930370	VGSPFQUGOAXBJB-HOTGVXAUSA-N	245.410	4.660	0	10	BJAE	
CC1=CC[C@](C)(CN(C)CCC2CCCC2)CC1	2221607472	PHNLIDXSLNNXRW-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)C[C@H]2CC[C@H](C)CC2)CC1	2221623273	LAAGKXNAIALWGO-HJWJTTGWSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](c1c(C)cccc1C)C(C)(C)C(C)(C)C	2221995791	QOBFJZLUTXICCB-OAHLLOKOSA-N	247.426	4.636	0	10	BJAE	
CCCC[C@H](N)CCC[C@@H]1CCC[C@@H](C)C1	2242764415	XFEPFUBXMMJXQM-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](N)CC[C@@H]1CCC[C@@H](C)C1	2242816192	MZSZRLCNEMRSHE-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
COc1ccc(Cl)c(CCCC=C(C)C)c1	2243786321	RVXLCJBDAPHIQX-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
CC[C@H](CC[C@H](C)CCCC(C)C)[C@H](C)N	2244845921	WCGCMHITLJFSEC-QLFBSQMISA-N	227.436	4.602	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@H]1CCC1(C)C	2247416580	JDAUUSBSWZZSSR-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CCCCC[C@H]1C[C@@H]1C	2248870578	MMFBPWFLKZQTIE-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](O)CCCC1CC1	2248879271	LVFXLBXOAFVCDS-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCNc1cc(C2CC2)ccc1F	2250094394	VQTABNBABZQRHI-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)C1=CCC(C)(C)CC1	2250366291	KTEAPQLRSBIKRC-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCCN(CC[C@H]1CCCCC12CC2)C1CC1	2253848116	AFSQLKLQSZWKJL-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
Fc1ccccc1NCC[C@@H]1CCCCC12CC2	2253889228	DQMKAPKYBIZVNJ-ZDUSSCGKSA-N	247.357	4.598	0	10	BJAE	
CC(C)CNC[C@@H]1CCC[C@H]1CC1=CCCCC1	2255097426	SJTKSFBHTMBKKC-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)C[C@@H]2CCCC23CC3)C1	2255224946	GLIZEWLVEZBOHZ-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCCC[C@H]1C[C@@H]1C)c1ccco1	2257248210	RRLLAGLKOKEWRH-SOUVJXGZSA-N	249.398	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)[C@@H]1CCC2(CC2)C1	2257297028	COZYCMAHZGNXOP-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CNC2CCC=CCC2)CC1	2257920037	UMWHUDOEFOBQGS-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cc2cc(C)ccc2o1	2259447208	KYWYZVJTFXWUAD-MLGOLLRUSA-N	245.366	4.567	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cc2cccc(C)c2o1	2259476363	ATTCVXYTZDGGKW-IUODEOHRSA-N	245.366	4.567	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@]12CCCC[C@@H]1CC2	2260501867	QDHUHTNDGJKXFU-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)C[C@]12CCC[C@@H]1CC2)C1CCCC1	2260586542	HZJLANVTXNKDRU-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@]23CCC[C@@H]2CC3)CC1	2260635614	WWODNOLMNVWQFG-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(Nc2cccc(C3CCCC3)c2)C1	2260661934	LVDQTQVBAJNHII-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1CC1(C)C	2300455066	BMGHQQMWRHBXFL-CQSZACIVSA-N	231.383	4.576	0	10	BJAE	
CCCC[C@@H](CC)O[C@@](C)(O)CCCC(C)C	2300473668	ARSSXTOGTANQGB-HUUCEWRRSA-N	244.419	4.507	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@]12CCCC[C@@H]1CC2	2300684538	VQJFFCPZXRXTCK-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](CCC(CC)CC)C1	2300686481	RDTCARRQQXKCDZ-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CCNC[C@]1(CC=C(C)CC)CCCC1(C)C	2300862347	CDERAQMKXSLSOG-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@@H](C)[C@H](C)C(C)C	2301977576	HNBYNRJUWTWKNT-OWCLPIDISA-N	241.463	4.814	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CCCC1=CCCCC1	2302330513	CHFIWPGCUGJHBP-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCc1cscc1NC[C@@H](C)c1ccccc1	2302887175	ZKZRKALDZCEQLP-GFCCVEGCSA-N	245.391	4.526	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1C(=O)CCC1CCCC1	2303441926	CJBRSDIUHVMBRI-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@]1(CN[C@H](C)CC)CCC(C)=C(C)C1	2303468236	LZQXELJPILZSLF-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CN[C@H](C)CC(C)(C)C[C@@H]1CCC(C)=C(C)C1	2303576246	UXYHXLIJENHYQI-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC1(C(=O)C[C@H]2CCC(C)=C(C)C2)CC1	2303592222	ISOWVECVAGOXEM-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
C[C@H](CC(C)(C)C)NCC[C@H]1CCC(C)(C)C1	2304358877	DASWPDLJGWEYSR-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)C[C@@]12CCC[C@@H]1CC2	2313344778	XRJNQORDDYSKPW-HDEZJCGLSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(C(=O)[C@H](C)CC(C)(C)C)ccc1C	2314714222	XYCWTWVXLULVTE-CYBMUJFWSA-N	246.394	4.812	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(N)(CC1CC1)CC1CC1	2315440478	UEGSPNHWPBPGLS-HZPDHXFCSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN1CCC[C@H]2CC[C@H]21)CCCC(C)C	2316506702	RESPPZXMHSCGNW-DLBZAZTESA-N	249.442	4.633	0	10	BJAE	
CC(=CC[C@H](N)c1cocc1C)CCCC(C)C	2316578209	DHGDVBQVRUKKPK-INIZCTEOSA-N	249.398	4.751	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316869994	MLMYCVOGWAWSIH-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCCC1(NC[C@@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2317000168	AEHWBVFVJLGDKU-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CN(CCCC1=CCCCC1)C[C@H]1CC=CCC1	2318567723	HCXYLKLYCJTMBE-KRWDZBQOSA-N	247.426	4.555	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)[C@]1(C)C=CCC1	2318589958	WAXGQJITYRCNNL-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@H]2CCCC23CCC3)C1	2319123700	ZPTDZCMFHNALPD-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C2CC(CC3CC3)C2)C1	2319295209	DXANWSUJPBUJOQ-NFOMZHRRSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@](N)(CCCC2=CCCCC2)CC1	2320266799	YDVXNRGVVNUHCF-KRWDZBQOSA-N	247.426	4.875	0	10	BJAE	
CC1=C(C)C[C@@H](COc2cc(F)ccc2C)CC1	2320387238	FGFUDFLOOFAGIQ-AWEZNQCLSA-N	248.341	4.649	0	10	BJAE	
CN(C1CCCCCCC1)[C@@H](CC1CC1)C1CC1	2320785715	YWPRBPOPZXZVJJ-KRWDZBQOSA-N	249.442	4.610	0	10	BJAE	
CCC(CC)CC=C1CCC([C@@H]2CCNC2)CC1	2327908806	XLYXGADYYILBKG-ZYMOGRSISA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN)C[C@H]2C=C[C@H]1CCC2	2328214389	WPCZYGOSIBNBNB-YLFCFFPRSA-N	249.442	4.524	0	10	BJAE	
CCC[C@H](N[C@H](C)CCC(C)C)c1ccccc1	19233382	LWXJRTDKHQLFIL-WBVHZDCISA-N	247.426	4.942	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1ccc(CCC)cc1	20482526	KOWNMYRDCKRDTA-DOTOQJQBSA-N	247.426	4.855	0	10	BJAE	
CCCN[C@@H](c1c(C)cc(C)cc1C)[C@H](C)CC	35582117	WGAMCQMQQFABKO-CXAGYDPISA-N	247.426	4.699	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)C)cc1)C(C)C	37199970	VJZHRQFNFJEEPW-HNNXBMFYSA-N	219.372	4.657	0	10	BJAE	
CC(C)CCC(=O)c1ccc(Cl)c(Cl)c1	37377403	UPJDEQHZMPIJDF-UHFFFAOYSA-N	245.149	4.612	0	10	BJAE	
CCCC[C@H](O)c1ccc(-c2ccccc2)cc1	40245098	QLIGCPRAHIGSPJ-KRWDZBQOSA-N	240.346	4.577	0	10	BJAE	
CCC(=O)CCCCc1ccc(C(C)(C)C)cc1	41298232	MMGKJGNDZXKWIS-UHFFFAOYSA-N	246.394	4.676	0	10	BJAE	
CCCC[C@H](CC)Nc1cccc2cccnc12	69370198	OSJIRAVAPAGTQU-AWEZNQCLSA-N	242.366	4.616	0	10	BJAE	
CCCCc1ccc([C@@H](NC)[C@@H](C)C(C)C)cc1	70123076	SQLGNEMIQHXFHL-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CCc1cc(Cl)c2cccc(C(C)(C)C)c2n1	71174900	QLAZPSVNAFVMFW-UHFFFAOYSA-N	247.769	4.748	0	10	BJAE	
CC[C@@H]1CC[C@H](NCCCCCCC(C)C)C1	80428994	BBOZGJWJMYFBFL-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC(C)(C)C)NC	82674346	VWPLPPVXLGOWFH-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CSc1cccc(N[C@H]2CCC[C@@H](C)CC2)c1	86878103	GTYRWDIYFRCKQC-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
CCN[C@H](c1ccccc1)C1CCC(C)(C)CC1	87943603	LNEOJDBOPUGQTB-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CCCC1CCC([C@H](N)C[C@H](C)CCC)CC1	87962967	XHESOHDXNZMYIR-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CCC[C@H](C(C)C)CC1	92596290	BLDLZFLRXGHKPR-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCSc1ccccc1N[C@@H](C)C1CCCC1	103992027	NJALXHUOSISWLG-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CC[C@H](C)[C@H](O)c1ccc(C2CCCCC2)cc1	109788643	ZEWAULRQOPUZFB-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccc(OC(C)C)cc1C	109912257	GIDFABVEDXEHGJ-OCCSQVGLSA-N	249.398	4.629	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1C[C@@H](C)CC(C)(C)C1	109939553	WYKRDNVCKVGKGZ-YPMHNXCESA-N	249.373	4.761	0	10	BJAE	
COc1ccc(NC2CCCCCCC2)c(C)c1	109958269	YADJQLFMPRDTDP-UHFFFAOYSA-N	247.382	4.528	0	10	BJAE	
CC[C@@H](C)c1ccc2c(c1)[C@H](N)CC(C)(C)CC2	110269450	XMVRCLAWLFBLOC-MLGOLLRUSA-N	245.410	4.562	0	10	BJAE	
CCCCCC[C@H]1CCCc2ccccc2[C@H]1N	110517918	QLMYIPJWHHQCES-RDJZCZTQSA-N	245.410	4.609	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Sc1ccc(C)cc1N	111744541	YJUXJKGWDKUEIZ-GXTWGEPZSA-N	249.423	4.638	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)c2ccc(C(C)(C)C)cc21	113613746	HRVHRJCFONRTHL-BLLLJJGKSA-N	245.410	4.532	0	10	BJAE	
CCCc1cccc([C@H](NCC)[C@H](C)CCC)c1	131660151	VQUSZNXCMWXKNI-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
Cc1cc(F)cc(-c2nc(C(C)(C)C)cs2)c1	131890174	XAWFWMSCFWTYLA-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1NCCC1=CCCCC1	155835001	KIMLSSOMCBSBTJ-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)C1(CC(C)C)CCCC1	162096601	HFVINNRFZLZTJJ-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)NC[C@H](CC1CCCC1)C(C)(C)C	162401222	HIUJRHZBKFXCQK-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1CC[C@@](C)(CC2CCCCC2)C1	164786305	SRQRREKRGAQGKF-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC1CCC([C@@H](N)C[C@@H](C)CC(C)(C)C)CC1	167848488	XLTZDWZNIWNRTP-JYVUQVBGSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CC1CCCCC1	203291165	BZTLKYLRISTCBK-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1C[C@@H](C)CC(C)(C)C1	216295115	QJVAEGMISDDVGF-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CC[C@@H](C)[C@@H](C)C1	222192386	DBHNUAYMHJACHV-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCC[C@@H](CC)C1	226940728	QWSPMWRQDXSGBK-OAGGEKHMSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)C(C)(C)CC	229151729	USBHVQPZJHAGBY-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C1(CC(C)C)CCCC1	229272035	HKVQELRGZFKHHA-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)(C)C)c1ccccc1C	229441865	UWFLYSVIRKVHCS-BBRMVZONSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@H]1CC[C@@H](C)C1	233133149	NFZBPJALYDTSEO-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H](C)c1ccccc1	233169808	VHZBYFWASWDNLT-HLLBOEOZSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](C)[C@H](N)C1CCC(C(C)(C)C)CC1	233347809	PZNDISFPUORXMG-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)[C@H]1CC[C@@H](CC)C1	251592025	JYNAKVVVHSBSQH-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)n1cc([C@H](C)C#N)c2c(Cl)cccc21	260103064	RQTGWRRGTODNOU-SNVBAGLBSA-N	246.741	4.503	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CCCCC1(C)C	300790525	CHDGWRQYWGGCPY-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CCC1CCCC1	300813041	XTLJRTYACHNOMM-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
C[C@H]([C@H](O)c1cccc2ccsc12)C(C)(C)C	302402876	HMVUJHAZIVHRCX-MFKMUULPSA-N	248.391	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccccc1C1CCC1	302421444	RAYWOGJRHHIAMQ-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CC(C)C[C@@H](C)C1(O)CCC2(CCCC2)CC1	302530573	GLWVNNQZFOHACH-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H](C)CC(C)C	304418900	JNBYDSYLIYQTGG-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@@H](C)CC(C)C	306087597	HKWCBEDQKRIZNI-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCOc1cc2ccsc2c(Cl)c1Cl	306624478	CDXIANMULSVSGL-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)[C@H]1CCC[C@H](CC)C1	310061320	RPLTZVCWSSMUOQ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)C1(CC)CC1	310112063	ASBMFCUVGMFMDH-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@H](N)c2c(C)cc(C)cc2C)CCC1	310961224	NYMPVQLXUASGTJ-HNNXBMFYSA-N	245.410	4.582	0	10	BJAE	
CCCC[C@@]1(CNCC(C)C)CCC[C@@H](C)C1	317935431	SBYYKWLTTNUCIK-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H]([C@@H](C)[C@H](C)CC)C1(C)CCCCC1	318924596	TXUCDQJHHLTVHY-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)c1cccc2ccccc12	319084663	BJIRXIYDAIKCHZ-GDZNZVCISA-N	241.378	4.522	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H](C)[C@@H](C)CC	320094563	YYYAZIUFSUDWKX-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CCCCC1CCC(C(=O)CCCCF)CC1	380088683	GIOBTROJFWJFBL-UHFFFAOYSA-N	242.378	4.692	0	10	BJAE	
CCC[C@]1(CCCCCC(C)C)CCCN1	383125299	JYPPTVIQTJXQCT-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](N)CC1=CCCCC1	383302894	UGNKPGVZWUOTGR-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCCc1ccccc1[C@H](CCC(C)(C)C)NC	384662884	OVPNTEOPYUVRKB-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc(NCCC2=CCCCC2)c(Cl)c1	385147348	JMLGZRUYGWUMAL-UHFFFAOYSA-N	249.785	4.951	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CCC2=CCCCC2)c1	386264136	LAIZKYHCOSCCIE-QGZVFWFLSA-N	244.378	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccsc2Cl)C1	387210257	JLCRZBOJFQPUCC-VHSXEESVSA-N	243.803	4.782	0	10	BJAE	
CCc1c(C(F)F)sc2cccc(S)c12	396235747	GSYIVSHTGDRHTO-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1cc(C(F)F)c2sc(S)cc2c1	396239072	KCADBHMHRJHMAK-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
COc1cc2cc(C(F)F)c(Cl)cc2s1	396288130	GVDHLMLMUFUGNC-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC[C@@](O)(CCC1CCCCC1)[C@@H]1CC1(C)C	397694173	PIHQUHMNVAYWJT-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](NCCCCC(C)C)[C@H]1CC1(C)C	397724203	YCULTZXVOUPPDE-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1c(F)cccc1C(=O)C[C@H]1CCC[C@@H](C)C1	398989220	GUXVLMQHQFAZLQ-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
Cc1ccc2oc(C(=O)[C@@H](C)C(C)(C)C)cc2c1	399195966	JAKWJRYJTBEHIE-LLVKDONJSA-N	244.334	4.606	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1cccc(C)c1	401861469	ZHDNBEKNLSDKCU-CABCVRRESA-N	231.383	4.623	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)C[C@H]2CC=CCC2)[C@H](N)C1	402362099	XWNKEWUJGJHCEG-FXUDXRNXSA-N	249.442	4.523	0	10	BJAE	
c1cc2c(cc1NCC1CCCC1)CCCCC2	404623378	BASHUYXXJYSDIN-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC1(C)CCC(CN)(CCCC2CCC2)CC1	688357724	WGQWXJXYIVEMLL-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](O)CCCC1CCC1	688415737	MCSAIYOWIQXBOQ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(O)(CCC(C)(C)CC)CC1	688453289	UDLXRKQTEYVPLO-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H]1CC2CCC1CC2	691774071	FEQFZQVEVBBXPI-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
Clc1ccc(CCC2CC=CC2)cc1Cl	692104265	YMCGVMPHTNAZFD-UHFFFAOYSA-N	241.161	4.892	0	10	BJAE	
CCCC[C@@H](CC(C)(C)C(C)(F)F)NC(C)C	697133677	FHWZBAIHKIPWNG-LBPRGKRZSA-N	249.389	4.615	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@@H](N)C[C@H]2CC=CCC2)C1(C)C	698988947	OYJREONWIUATPB-WBTNSWJXSA-N	249.442	4.523	0	10	BJAE	
CCC(CC)C[C@H](O)[C@]1(C)CC[C@@H](C)C1(C)C	699089376	MAXPRXMTFPEXOV-INWMFGNUSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCC[C@]1(CNC(C)C)C[C@@H]1C	703336956	PVUHZBPJBBHHSW-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(N)CCCCC[C@H]1C(C)C	704461627	PUIUVHQUUHYVFC-JYJNAYRXSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)C[C@H]2CC[C@@H](C2)C1	704785920	FWTPVTJTDXQQGS-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@](N)(CC)c1ccsc1	704820582	AKKNVOXCJBREFX-CQSZACIVSA-N	239.428	4.529	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@H](C)CC(C)(C)C)C1	708313272	HFBXRQHBKYTTLX-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C(=O)C[C@@H](C)CC(C)(C)C)C(C)C	709198067	FSQMIFRRNYJPTN-CYBMUJFWSA-N	240.431	4.946	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2cccc(C3CC3)c2)[C@H](C)C1	709654908	QNELXAZRKJQQOS-PBFPGSCMSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC[C@@H]1Nc1ccc(C2CC2)cc1	709683706	JHMFOMRDNWRPKX-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
Clc1ccccc1N[C@@H]1CCCC[C@H]1C1CC1	710174151	VBYHLNMKJYXELK-GXTWGEPZSA-N	249.785	4.721	0	10	BJAE	
CC[C@@H](C[C@H](NC)c1cccc(C)c1)C(C)(C)C	711099479	WFDWLKVXUGJBAL-HOTGVXAUSA-N	247.426	4.718	0	10	BJAE	
CCC1CCC(CN)(C[C@H](C)C(C)(C)C)CC1	711222999	DCIJIUNBJIWUBT-HLIUYOAVSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)c1cc(C)cs1	713167403	IHFYXNNVOXOGIV-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
C=C/C=C/CC[C@]1(CNC(C)C)CCCC[C@H]1C	713724901	KVJNKAPYQHXAIZ-KGVXHEBISA-N	249.442	4.703	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)CC1=O)CC(C)(C)C	717456322	UQEPFQKRTCJUTF-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)c1cc(C)co1	718476269	YCVZAADFAKNHGO-OAHLLOKOSA-N	247.382	4.519	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1cscc1C(F)F	720301266	KZVLFBMHLYWTNS-MRVPVSSYSA-N	246.322	4.551	0	10	BJAE	
CCC(C)(CC)C(=O)c1cscc1C(F)F	721738518	XLJUKCUVVCZTPZ-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H](C2CCCCC2)C2CC2)C1	723946645	FULXKMTZTJFKAT-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@H]1CC(C)(C)C[C@@H]1C)C(C)(C)C	1658135249	DNUSBFSESDKZIP-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
CCC(C)=CCC1(O)CCCCCCCC1	1900869768	WPIQNPPPVMTFEH-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(C)CCCCC1	1905321883	YHLONHGGYLCGML-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1(C)CCCCC1	1905373070	CCWILPHMAUNPSE-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC[C@@H](C)CC1	1905399428	WGELLXMXYHGVKL-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CC(=CCl)C[C@H]1C[C@@H](C(C)(C)C)CCC1=O	1911588413	DSRQZWPRCWPXOR-RYUDHWBXSA-N	242.790	4.551	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C=C(CN)C1CCCCC1	1911793805	QLJWPYAGHQIAJG-ZBFHGGJFSA-N	249.442	4.668	0	10	BJAE	
CCCN[C@@H](C)C(C)=C[C@H](C)C1CCCCC1	1911839706	BBORONQMOBGMLV-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C1CC2(CCCCC2)C1	1912725564	CTJYNFJRHHZOPW-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
C1=C[C@@H](N[C@H]2CCC3(CCCC3)C2)CCCCC1	1916462736	BKROGNDSIIWUHO-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@]1(N)CCC2(CCCCC2)C1	1921540843	IVLZORZYIIBOQS-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCCC(CCC)[C@H](CC[C@H]1CC1(C)C)NC	1921566570	CAWGASLRIUPYME-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)C[C@H]1C=CCCCC1	1925894035	YLQPFHLKQRKCGB-ILXRZTDVSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)C[C@H](CCC(C)(C)CC)NC	1926340483	YABTXLZSPAPIRX-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCC[C@@H](O)CC1(C)CCCCC1	1935622055	CFUCCGMKMPXZSE-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)Nc1ccc(Cl)cc1	1939045791	DJGKLJJFAYZRCW-RYUDHWBXSA-N	239.790	4.823	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC[C@@H]1CC1(C)C)NC	1940880009	ZUXXCKBEYPRUBX-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](O)CCCCCC1CC1	1941573864	UGOUIHAXNBLGKI-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC1(C(=O)CCCCCC2CC2)CCCC1	1941580586	BNHNABWPIVGSIE-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
Cc1cscc1NC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C	1942049477	ZIADTARYAMBVMP-RWMBFGLXSA-N	249.423	4.541	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)c1sccc1C1CC1	1942504791	ZFVISRLSCCAGEA-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
CC(C)=C(C)CCc1cccc2c1CCCC2	1942531516	ACJOKSATMIQPTD-UHFFFAOYSA-N	228.379	4.854	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)CC1CCCCCC1	1942660094	LCMRASWHPQZEEE-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)C(C)(C)C(C)C	1944665093	FDLBTNNTMXZLPM-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC[C@H]1CCC	1947514537	GDQXKAMCQQEODK-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
Cc1coc(C)c1[C@@H](O)CCCCCC(C)C	1947519730	YVVILSAUGAHITG-AWEZNQCLSA-N	238.371	4.536	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1c(C)coc1C	1947529894	RCPLKTDJILYLQA-ZIAGYGMSSA-N	237.387	4.503	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2C=CCC2)CCCC1	1947569496	LITYNANHGDPRSJ-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)CCC1CCCCC1	1948332129	KCQVKEPTINARGM-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)([C@H]2CCC2(C)C)CC1	1949065786	SDNQXTSZWMGBCK-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@H]1CCC(C)(C)C1	1949421543	NJQCGGPFFIMWFP-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C[C@@H](O)CC2(C)CCCCC2)C1	1949743192	XZSOXLWZTLBOEC-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cc(Cl)cs1	1958192936	PYCOWHLIXUVAOD-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC23CCC3)cc1F	1968319712	BIOHJBIOTAUFJX-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CCCc1ccccc1NC[C@H]1CCC(C)(C)C1	1968528881	ZWXNJDOPFXKVOZ-AWEZNQCLSA-N	245.410	4.877	0	10	BJAE	
CC1(C)C[C@@H]1CCNc1ccccc1C1CCC1	1973429907	MGELFNGCKKEUEB-AWEZNQCLSA-N	243.394	4.802	0	10	BJAE	
CCCCCCC(=O)[C@H]1C(C)=CCC[C@H]1C	1978510211	LWCQXWCODWKEST-HIFRSBDPSA-N	222.372	4.518	0	10	BJAE	
CCCCCC[C@@H]1CCC(C)(C)CC[C@H]1O	1984465984	IGDLJCRYXIOLSZ-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
c1ccc(CCCC2CC(=C3CC3)C2)cc1	1985533811	AURCXVZYMJYGOT-UHFFFAOYSA-N	212.336	4.510	0	10	BJAE	
CCC(O)(CC)CCCC(C(C)C)C(C)C	1988259987	NGGXVPBZVMGRGH-UHFFFAOYSA-N	228.420	4.636	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1CC[C@H](C)C1	1990094055	RETBGAKRUTZEST-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CCC(C)=C(C)C	2000295753	LJHIGFCFUWLWBU-HOCLYGCPSA-N	234.383	4.684	0	10	BJAE	
CCCC[C@@](CC)(CNCC)C[C@H]1CC1(C)C	2000500809	YLHKCUUNEZIZHI-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2C=CCCC2)C1	2002993341	KDJKVAIXECTXIP-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](O)CC2CC2)CC1	2003100748	SSJPWKXCGMGQRG-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H]1CCCCCC[C@H]1NCCC	2003115848	DWXHGAFPCKBZBT-JKSUJKDBSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@@H]1CCCCCC[C@H]1C[C@@H](C)CC	2003116249	HSSFEGSLZQLDKU-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC1(CC(=O)C[C@@H]2C=CCCCC2)CCCC1	2003180230	YQDIZKSGPXBNTD-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CCCC2(CC2)C1)NC	2003217005	HECAABGYLSWNIS-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C=C1CCCC1)c1sc(C)cc1C	2007940527	SBIOHUKIBPRMRG-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H](C)CC(C)(C)C	2007947223	QSOWLSMAUYKSGZ-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(N)CC(CC)(CC)C1	2009303959	KHBQVNDXLNWTCB-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C1=CC[C@@H](C)CC1	2010608736	KLCBEBUUVLAQFA-CQSZACIVSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H](N)c2cccs2)CC1	2010729011	KTHBFTMZRRGXCL-TZMCWYRMSA-N	249.423	4.521	0	10	BJAE	
Cc1scc(C(=O)CC[C@@]23CCC[C@H]2C3)c1C	2011010857	KAACEMDJNGGMPI-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
C[C@@H](C(=O)CC1CC(=C2CCC2)C1)C(C)(C)C	2011065471	BKYINYBKKLSVMF-NSHDSACASA-N	234.383	4.518	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CC12CCC(CC1)CC2	2012819725	AGUFHDDDWYRMEJ-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)C[C@@H](C)C(C)(C)C	2015277574	IAXDQZLLPUXRPJ-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CCC1=C[C@@H](N)CCCC1)C(C)C	2015345588	UKEZPEORWWPRQJ-HNNXBMFYSA-N	237.431	4.523	0	10	BJAE	
CCC1(C[C@]2(O)C[C@H](C)CC(C)(C)C2)CCC1	2015596914	XFTDTDWNQWYGMV-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC1(CN(C)C2CCCCCCC2)CCC1	2015630081	CXTSXEOAZBUJCV-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C[C@@]1(C)C[C@H]1C	2016389249	BHNIPTNYSUSUIP-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@H](N)C1(C)CCCCCCC1	2016459548	FKRUHMGYBOEMLB-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1(C[C@@H](O)C2CCCCCC2)CCC1	2017115339	XDZBCXQUMCDNQN-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](C)CC1)C(C)(C)CC	2017720920	JDOXIZXJEOQOTD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](O)CCC[C@H]1CC[C@H](CCC)CC1	2017724578	HCOCWXGOCKOQQW-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC(=O)[C@H]2C)CC1	2017776586	QWXOQWZXBWHKQB-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@]23CCCC[C@H]2C3)s1	2018634415	QNQZFVQEIGNNPS-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC1(CCC)CC1	2018941208	PNXZOYCISWTCMR-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCCC1(CC(=O)[C@@H](CC(C)C)C(C)C)CC1	2018941484	QIKJXLTZCMOILN-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
CCC1(C[C@@]2(N)CCC[C@@H](C(C)C)CC2)CC1	2018982300	KRWBSQKVADFWLG-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@]2(CN)CCCC(C)(C)CC2)CC1	2019002219	HKSDITMVULDMCV-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CC[C@H](C)[C@@H](C)C1	2019127332	SARXISNUEAWISH-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)C1CC(C(C)(C)C)C1	2019415886	SDWOZWNFCNGJSD-WLYUNCDWSA-N	239.447	4.568	0	10	BJAE	
CCCN[C@H](CCCCCC(C)C)CC(F)F	2023129027	DXVTTXOFYAFFGY-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCC1CCC(C[C@H]2CCC[C@@H](C)C2=O)CC1	2024002782	BPFQJKCESQBIGX-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(=O)[C@@H]([C@@H]2C=CCCCCC2)C1	2024124287	MPLBSPLHMNXZKF-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CCC(C)(C)C2CC2)C1	2024129045	RNPPCVSUKNIJMD-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@H]1CC(C)(C)CC[C@@H]1O)CC(C)(C)C	2024145166	CVRVFWIKSADUNG-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
O=C1CCCCCCC[C@H]1CCC1(F)CCC1	2025253386	DQRGFDQQYKUOQP-ZDUSSCGKSA-N	240.362	4.588	0	10	BJAE	
CC=CCCC[C@H](CC[C@H](C)CCCC)NC	2026170238	OFBSOLJMCXZPQJ-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2C[C@H]3CC[C@H]2C3)CCCCC1	2027311245	ISKKFDYHGDTOQK-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
C[C@H](c1ccccc1)[C@@H](O)CC1(C)CCCCC1	2027312788	YWKQRYRVNODISB-ZBFHGGJFSA-N	246.394	4.512	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@]2(N)CCC23CCCC3)C1	2031828352	RFYNTFVEYVEFHI-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](N)C(C)(C)C2CCCC2)c(C)c1	2032345803	HHHGPJKHEPRTSY-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC12CCC(CC1)C2(C)C	2033411360	CYGNQKPBBBYFEL-UJEKJILKSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)CC(C)(C)C1CC1	2035587439	DOSKQVDGVIKDJF-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@H](Nc1ccc(F)cc1)C2	2036668535	VIEVKPMVUVRYGJ-VBNZEHGJSA-N	247.357	4.597	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(C2=CCCCCC2)C1	2037094984	XDIHESRQLMBANO-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)C[C@H]1C=CCC1	2037974702	ONHNZVDPMSBUBL-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(NC[C@@H]2CC23CCCCC3)CC1	2039057893	IRUOJWNFHILJSX-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)CC23CCC(CC2)C3)C1	2039355333	ZGNYTNUPZVBMSV-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C2CC3(C2)CC(C)(C)C3)C1	2039424492	QHHYUOPXNZOVGY-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(CC([C@@H](N)CC3CCCCC3)C2)C1	2039462778	XAYHEPQJLWZXKJ-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@@H](C)N[C@H](C)c2ccccc2)CC1	2040632368	DMJNUTSSDXJRQT-GYMHETDLSA-N	245.410	4.552	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NCC2(C)CC=CC2)CC1	2042075444	AGCBSXXFNQLVQM-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CC[C@H]2CC(C)C)c(C)c1	2043687401	SERPEABZVPHWAY-HOTGVXAUSA-N	245.410	4.848	0	10	BJAE	
Cc1ccc(F)cc1NC[C@@H]1CCC=CCCC1	2045328855	IYRFQTRCTLLOAX-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@H]1CCCC(C)(C)C1	2045402617	ZWAYITJWQGGKOS-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CCCCCC1CC1	2045681040	SFHJDNKYGOLVLQ-YOEHRIQHSA-N	248.410	4.908	0	10	BJAE	
C1CCCC2(CC1)CCCN2CCCC1CCC1	2046559580	GTEYHWSVVWXDOL-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(C[C@@H]2CC23CCCC3)C1	2047009244	QCKHPQBOHJMPLK-OAGGEKHMSA-N	249.442	4.502	0	10	BJAE	
CC(C)[C@@]1(C[C@H]2CC23CCCC3)CCCCCN1	2047020368	PCSQOBVKUJVDOC-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NCC2(F)CCCCC2)cc1	2047246121	XZUVZVFXVJUTAT-UHFFFAOYSA-N	249.373	4.894	0	10	BJAE	
CC[C@@H]1CC[C@H]1N[C@@H]1CCCCC12CCCCC2	2047588488	ZUCALENBHIPBEH-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C(=O)C1[C@H]2CCCCC[C@H]12)C1CCCC1	2049171265	UTDQVOPFXXJLCE-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2CCC3(CC3)C2)CC1	2049849488	QSQVNSOYOYAQNU-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@H]1CCC2(CC2)C1	2049935389	IHXNSHXFUVWFJW-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@@]2(C)C=CCCC2)c1	2050007302	DMPHSWQLGQMDFL-SJORKVTESA-N	244.378	4.590	0	10	BJAE	
CN[C@@H](CCC1CCC(C)(C)CC1)c1ccco1	2050521863	XSWFJZPQQKXABA-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CC(C)=CCC(=O)c1ccc(F)c2ccccc12	2051358476	APYCUROKWKDXHG-UHFFFAOYSA-N	242.293	4.518	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@@H]2C[C@@H]3C[C@@H]3C2)cc1	2052132836	ZOJARDKFTIDFAU-XOUADPBQSA-N	243.394	4.658	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1CCCCC[C@H]1C(C)C	2055672524	UJGGYCOOEZSUHY-YESZJQIVSA-N	249.442	4.680	0	10	BJAE	
FCc1ccc(NCC2CCCCCCC2)cc1	2055678284	OBNNRGDKTCCKDZ-UHFFFAOYSA-N	249.373	4.929	0	10	BJAE	
CC1=C[C@H](N[C@@H](C)C2CCC(C(C)C)CC2)CC1	2055851602	MNVGFBXYRWHFDI-ZGRYLRDCSA-N	249.442	4.536	0	10	BJAE	
CN[C@@H]1CCC(C)(C)CC[C@H]1C[C@@H]1C=CCCC1	2059004107	UJRLCNVJTBWBMY-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@](C)(N)c1ccc(CCC)cc1	2059196646	RUJRGCPLWRAHKG-QGZVFWFLSA-N	245.410	4.559	0	10	BJAE	
C/C=C/CCCC(=O)c1cccc(C(C)(C)C)c1	2059206242	KPDZTHJLOGKLGS-AATRIKPKSA-N	244.378	4.913	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@]1(C)C=CCCC1	2059249790	KQKBKHYODAQMNI-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CC[C@H]2C[C@H]2C1	2059255459	HXJPBWJOSZFTEW-ZTNBSJNOSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CC(N)(C[C@H]2CCC=CCCC2)C1	2059494649	BCLVVPWBNIVFNN-GTPINHCMSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc([C@@H](O)CC2=CCC(C)(C)CC2)cc1	2061091145	GTXYNKDLSMYTAN-INIZCTEOSA-N	244.378	4.555	0	10	BJAE	
C=C=CCC[C@H]1CC(C)(C)CC[C@@H]1CNC(C)C	2061563547	PVCMFIBTKFRXNY-JKSUJKDBSA-N	249.442	4.548	0	10	BJAE	
N[C@H](CCC[C@]12CCC[C@@H]1C2)CC1CCCCC1	2061617443	PHSYBAXQZCSXKP-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCC[C@]12CCC[C@H]1C2)CC1CCCC1	2061618653	WEAWZKZFOQPAFN-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)C[C@]12CCC[C@H]1C2	2061624010	VXQXYPHOPPSQSB-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2CC(=C3CC3)C2)CC1	2061696869	WCOTUOSJTUHJIA-NNUKFRKNSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc(F)cc1CCC1CC(=C2CCC2)C1	2061726338	OWZJOKYMBPWLJQ-UHFFFAOYSA-N	244.353	4.957	0	10	BJAE	
CC1(C)CC(=O)C[C@H](CC2C[C@H]3CCC[C@@H]3C2)C1	2063717147	NXVZFSAESWFFMO-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@H]2CC(=O)CC3(CCC3)C2)C1	2063720405	IBQTZLQJAGOVCI-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@H]1NCC12CCCC1CCC2	2063903565	VWLYQBBHJXIRPZ-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC12CCC(CC1)CC2)c1cccc(N)c1	2065339642	NQWSZVQEVGRWPT-TUBUQKNSSA-N	243.394	4.733	0	10	BJAE	
CC[C@@](N)(CCC(C)C)c1cc(C)c(C)cc1C	2065993235	QOXJAMAHBLYUCN-QGZVFWFLSA-N	247.426	4.612	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)CC(C(C)C)C(C)C	2068841522	GNCATQARUZXRLR-INIZCTEOSA-N	248.410	4.655	0	10	BJAE	
CCCC1(C[C@H](N)C2CC3(CCCC3)C2)CCC1	2069336859	FFNIYNZRWNFRCD-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1(C[C@H](C)C(=O)c2ccccc2)CCC1	2071925732	IGEOSFLAKURUMC-AWEZNQCLSA-N	244.378	4.722	0	10	BJAE	
Cc1cc(F)ccc1C(=O)C1(C(C)(C)C)CCC1	2071927121	XBJFVYHJZOJVSL-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](CC2=CCCC2)NC)CC1	2072701905	FHOZRBOOQKSFJG-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@H]1[C@H]1CCCC2(CC2)C1	2073796403	YPOAVGGZOZBXAQ-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@]12CCCC[C@H]1C2	2074033166	JOBSNOVAJCPGMD-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@]12CCCC[C@@H]1C2	2074101853	PNEKMNODCKEHBU-XOSAIJSUSA-N	246.394	4.518	0	10	BJAE	
c1ccc(C2CC2)c(NC2C[C@H]3CC[C@H](C2)C3)c1	2077263949	HAGMKLIDVYWJQO-STQMWFEESA-N	241.378	4.555	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@H]1C[C@H]1C1CCCCCC1	2079486920	PJGYYHVKEKRDOU-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC)CCC1C2(CCC2)C12CCC2	2083571530	PZHSCEWCUCELEP-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(C[C@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2084989701	RGWOVSPTJIFIGG-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2085001950	TVRSPTRVAGMCRW-WQZDSJPGSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1C[C@H]2CCC[C@H]1C2	2086154265	RYNUHRNZNLWXSM-ZQIUZPCESA-N	243.394	4.801	0	10	BJAE	
C[C@@H](C[C@@H](O)CCCCC1CC1)CC(C)(C)C	2214583971	PYDRUJFRNQRTAH-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CC1=CC[C@@](CCC(C)C)(CNC(C)C)CC1	2215826072	JTDFEAOHNKIIGL-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)NCC(CC)(CC)[C@H](C)CC(C)C	2217159021	JGTLHUMXQYZKKO-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@](C)(CNC1CCC1)C[C@@H](C)CC(C)C	2217159890	SRIPHHWTKUIVQE-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
COC[C@@H]1CC[C@H](CC/C=C/c2ccccc2)C1	2219069743	LFIBXTHHQWPTFU-OQRFJMDLSA-N	244.378	4.543	0	10	BJAE	
N[C@@H](CC[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2220288447	JZXRTOWYKSIJDB-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@](C)(N)C2(C)CCCC2)CC2(CCC2)C1	2221022237	FJCZVUZKPWAFQS-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc([C@H](N)CCC2(C)CC(C)(C)C2)c1	2221032645	KSLJJVYWMMEBFG-OAHLLOKOSA-N	245.410	4.601	0	10	BJAE	
CC[C@@](C)(CNC1CC1)CC1(C)CC2(CCC2)C1	2221034746	QCNUILFIDMICTG-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)CC2(C(C)C)CCC2)CC1	2221621860	GJMFOJYSIAXFGN-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC(C2CC2)C2CC2)CC1	2221642033	AUDPKMHUDABSKS-QGZVFWFLSA-N	246.394	4.518	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1	2222955132	QGXXQBPJGXWWOB-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](N)CCC[C@@H](C)CCCC(C)C	2244845022	KFFMTKNUVIVNAN-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
CC(C)CCCC(=O)CC[C@H]1CCC[C@@H](C)C1	2246682006	SUTCBBPKDWLRBC-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@](C)(O)CC1CCCC1	2247129997	RTVNWQWDOQLMSA-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC1([C@](C)(O)CC2=CCCCC2)CCCCC1	2247460806	GGEDFVFVCFAFFQ-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC(C(C)(C)C)C(C)(C)C	2247749984	CIHFQRSBIQAJOE-OLZOCXBDSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)C[C@H](O)c1cc(C)c2sccc2c1	2248568238	NPWCYMVJCNAGPL-HZMBPMFUSA-N	248.391	4.679	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCSc1ccccc1N	2248841812	OZNDXBSQVCKUAP-QWHCGFSZSA-N	249.423	4.577	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CCCCC[C@@H]1C[C@H]1C	2248867880	YDLCZQKXMJCJKJ-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCCCNC1CCC=CCC1	2249290300	XBNGXFUJEUATPF-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1csc2ccccc12	2250369078	FAONMALBNQRCBJ-IAQYHMDHSA-N	248.391	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)c1ccoc1	2250468505	DVGZABBPFXIVNA-DZGCQCFKSA-N	237.387	4.522	0	10	BJAE	
CC1CC(C)(C[C@H]2C[C@@H](C)Nc3ccccc32)C1	2253753115	OTMOZQKHELXLAE-YXXKGXSTSA-N	243.394	4.801	0	10	BJAE	
O=C1CCCCC[C@@H]1CC[C@@H]1CCCCC12CC2	2253810739	NSARMAMREBPUMX-CABCVRRESA-N	248.410	4.886	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@@H]1CCCCC12CC2	2253818476	OGILWKQPJJEOQM-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCC1=CCC[C@]1(O)CC[C@H]1CCCCC12CC2	2253878342	NBVUMNLNRGZJFC-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC[C@@H]1CCCCC12CC2)[C@@H]1CC[C@@H](N)C1	2253889245	KEIJMPDGQSULRD-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C1(C)CC2(CCC2)C1	2254583275	JIHWZCCKTQZIHO-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1C[C@@H]1CCC1(C)C	2255028339	OHABVZQELHNNJP-VNHYZAJKSA-N	243.394	4.658	0	10	BJAE	
N[C@H](CC1=CCCCC1)[C@]12CCCC[C@H]1CCC2	2255063836	NTTIKKSCNPUAIE-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(CC[C@@H]2CCCC23CC3)C1	2255330890	OQROBTAKOCDIES-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1CC12CCCC2	2257311026	KLLJHXOLFQAJSQ-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@H]1CC[C@H](C)CC1)C2	2259580200	FSYSFCZWXKGASG-RRYLBNANSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@]12CCC[C@@H]1CC2	2260503329	BQDZVFLJNZFWGY-HCGXZRIXSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@@H]1CNc1cccc(C2CCCC2)c1	2260665681	XMIAMJIFHGDZAG-XJKSGUPXSA-N	243.394	4.802	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1C[C@@H]2CC[C@H]1C2	2298450211	BREYHCVAJJBAGH-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)[C@H]1CCCCC1(C)C	2298886194	ZYOSNZVMLYJFAJ-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC1CCC1)[C@H]1CCCCCCCC1=O	2298936377	PNYBHNSVOPFNRA-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC[C@@](C)(C(=O)CCCCCC1CC1)C(F)F	2299835296	PUHYNPZKOMDFMT-AWEZNQCLSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CCCCC(C)(F)F	2300502697	DGPLVEBSVNPUQP-ZDUSSCGKSA-N	249.389	4.746	0	10	BJAE	
CC(C)CCC[C@](C)(N)[C@@H]1CC[C@H](C)[C@H](C)C1	2300503390	LTFGVVMEVAUXCR-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@H](O)C1CCC(CC)CC1	2300680212	BGKVJTOGEYQZRA-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](C(C)C)CC[C@H]1N	2300683869	OBJIHFGOPUCDIN-BZUAXINKSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@@H](C)C1CCC1	2300689428	YCNYZCXFXJSCKD-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](Nc1cc(F)ccc1C(F)F)C(C)(C)C	2300827279	XLDIIRPETKXJJC-MRVPVSSYSA-N	245.288	4.610	0	10	BJAE	
CC(=CCNCCCC(C)C)CCCC(C)C	2300859949	AYJIFPVFVDNEHB-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CC=CC[C@@H](NCC)c1cc2ccccc2s1	2300872258	NXLCGOBPYCJOSI-CYBMUJFWSA-N	245.391	4.518	0	10	BJAE	
CC(=CCc1ccc(F)cn1)CCCC(C)C	2300930841	DODNCLXZYIXQLP-UHFFFAOYSA-N	235.346	4.536	0	10	BJAE	
CCC[C@H](C)Cn1c(C)cc2cc(F)ccc21	2301586600	UYQBGZJIIFGTQP-NSHDSACASA-N	233.330	4.525	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)NC(C(C)(C)C)C(C)(C)C	2301836973	PZAJCXANIOQJAH-OLZOCXBDSA-N	241.463	4.717	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@]1(O)CCCCCC1(C)C	2301868519	DOIXISDPMMDEJI-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1[C@H](C2(O)CCCCCCCC2)CC1(C)C	2302122687	HWRMNFZPQXZAFA-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCSc1ccccc1N[C@@H]1CC(C)(C)[C@@H]1C	2302138835	ILSIARXUVIEUIN-DGCLKSJQSA-N	249.423	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)CCCCC1CC1	2302576373	FLSISSOKTNUNHB-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C[C@H]1CC[C@H](C)CC1	2302614666	DNPZSLCKAUBOOK-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CCCC(=O)C(C)(C)C)CC1	2303592437	KVTNVWSCJAARJX-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CCc1cc(F)cc(NC2CCCCCC2)c1	2304013034	XKAOYUCDFZTYSV-UHFFFAOYSA-N	235.346	4.523	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cc(C=O)cs2)c1	2307517294	TWVPPIVHLRBOQG-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC(C)(C)C[C@@H]1C	2307824946	YQNSMBVNQBRODA-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CNC1CC1)C(C)(C)C	2307830722	FFMKCMNONKKNQL-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](NC)c1ccccc1	2307895187	PGHBWYZEUKNKMK-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@]1(C)CCCC1(F)F	2307910754	ZOTMANOSFAPPLE-WCQYABFASA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(C(C)(F)F)CCC1	2307910845	PUUDDVPJQWPVBN-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC=CCCC[C@H](C[C@H]1CC[C@@H]2C[C@@H]21)NCCC	2310192311	WMNHOXMYWZAAKI-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@@]12CCCC[C@H]1CCC2	2310425888	KELONUROYRJTIT-PNBKFKSVSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311611243	QXKBXAIUCNMXFZ-CRNXPOROSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1C[C@H]2CCC[C@@H]21	2315891575	LTTKRVDXWWJUGG-HLLBOEOZSA-N	243.394	4.719	0	10	BJAE	
CC(=CCN[C@@H]1C=C(C)CCC1)CCCC(C)C	2316498904	IDNINKCWCGMUIZ-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
O=C(CC1CCCCCC1)[C@H]1C[C@@H]1C1CCCC1	2317016891	WECKBZXCKADUPD-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)[C@H](C)C(C)C)c(C)c1	2317629325	HDJYXOFDIPXXMJ-PMPSAXMXSA-N	247.426	4.635	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)c1coc2ccccc12	2317991306	SLMPXKZTYQXERQ-VXGBXAGGSA-N	244.334	4.544	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)C[C@H]2CCC[C@H]1C2	2318533857	KSNFQPABGVZXQU-YESZJQIVSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)CCCC1=CCCCC1	2318582348	BVAQXECRGLBZNL-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C[C@@H]1CC=CCC1	2318878283	OIGYZDSZCQRUPK-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@H](NC)c1cc(F)ccc1C1CC1	2319179441	ZIZKWAPFQCTUPD-MRXNPFEDSA-N	249.373	4.544	0	10	BJAE	
CC1CC2(C1)CC(C(=O)C[C@@H]1CCC(C)(C)C1)C2	2319285917	DLNUDJSXMBVKNT-UHKZTBIMSA-N	248.410	4.598	0	10	BJAE	
Cc1coc(C)c1C(=O)C[C@H]1CC[C@@H]1C(C)(C)C	2320234241	FKFXTJMLOBEWQO-OLZOCXBDSA-N	248.366	4.542	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)CCCCC2CC2)CC1	2320410832	AZSUBMVWDOOOCX-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1	2320412313	NQPCUIYESLXTQB-LJIGWXMPSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C[C@H]2C[C@H]3C[C@H]3C2)CC1	2320416051	GZCPJUJNNIGZIF-YHUYYLMFSA-N	246.394	4.518	0	10	BJAE	
NCC1([C@H](CC2CC2)C2CC2)CCCCCCC1	2320763001	UJXQTYVVICREIQ-MRXNPFEDSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)C12CC(CC(C)C)(C1)C2	2321590339	RTZDODIOLYIQFP-OTBWCIGPSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@]2(C)CC2(C)C)c1	2327658426	YLLROCWNODMXAI-KRWDZBQOSA-N	244.378	4.737	0	10	BJAE	
CCC[C@@H](CC)CN(CC(C)C)c1ccccc1	2328103192	WXCGHHFOEZUYJH-MRXNPFEDSA-N	247.426	4.975	0	10	BJAE	
Cc1c(-c2ccno2)sc2ccc(Cl)cc12	2523406	TZWIXCBIERKPIJ-UHFFFAOYSA-N	249.722	4.518	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCC(C)C)cc1C	21009215	PGFWMCSZDMQADF-AWEZNQCLSA-N	219.372	4.540	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)c2ccccc2)c1	21032459	WRHFJLPEEJPOLO-CQSZACIVSA-N	239.362	4.983	0	10	BJAE	
CC[C@@H](Nc1ccccc1C)c1ccc(C)cc1	21511356	VZHPQPPAXQRDGA-MRXNPFEDSA-N	239.362	4.867	0	10	BJAE	
CC(C)=CCC[C@@]1(C)[C@@H]2C=C(C)CC[C@@H]21	56874344	MZOWOHKNFKJFFD-RRFJBIMHSA-N	204.357	4.725	0	10	BJAE	biogenic,in-vitro
CCCCC[C@@]1(O)CCCC[C@@H]1CCCC	62722073	DDMHYMPKMMODTE-LSDHHAIUSA-N	226.404	4.678	0	10	BJAE	
Cc1cn(Cc2cccc3ccccc23)c(C)c1C	69233792	MQZCHLREYZSUCH-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@@H](C)NCCC	71083987	CMHFCGOJEOKHMS-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@H](CC)C1	71116762	FCFCUEBGGZYYHG-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](O)(CC)c2ccccc2)C1	71153397	KNPZAURHSGFICJ-DJIMGWMZSA-N	246.394	4.501	0	10	BJAE	
CCCN[C@H]1CCCC[C@H](CCC(C)(C)C)C1	80415736	UZVUZNDBEOFOMF-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCC(C)(C)C)CC1	83435301	LAZVRTKSTYOESZ-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Nc1ccc(Cl)cc1Cl	84901822	LMJHGICVVLMYJZ-KCJUWKMLSA-N	244.165	4.594	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CCCC)NCC	86315455	KMAHBVOIKQPLEO-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCCC1(CCC)CC(N)(c2ccccc2C)C1	86541588	FVPODDSMEJTIBM-UHFFFAOYSA-N	245.410	4.529	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Sc2cc(N)ccc2C)C1	91942164	LMOIUHOCYHUMAE-TZMCWYRMSA-N	249.423	4.638	0	10	BJAE	
CCNC[C@H](CCC(C)(C)C)c1ccc(C)cc1	93131796	SLMPWGHEGKRTFL-INIZCTEOSA-N	247.426	4.514	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)c1ccoc1	94867740	PYOCYKORRHAGHX-AWEZNQCLSA-N	237.387	4.537	0	10	BJAE	
CC1CCC(CNC2CCCCCCC2)CC1	103980742	MFMMMENRTBAIIP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](N)CC[C@H](C)c1c(C)c(C)cc(C)c1C	107657518	JGKLBDAHSWINDB-ZBEGNZNMSA-N	247.426	4.541	0	10	BJAE	
CC[C@@H](C)Oc1cccc(N[C@H](CC)C(C)C)c1	109948589	QVZDMIJVXGGUPD-CZUORRHYSA-N	249.398	4.710	0	10	BJAE	
CCCc1cc2cccc(CCC)c2nc1Cl	110312125	OZTTVPKFKWJSJU-UHFFFAOYSA-N	247.769	4.793	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC1CCCC1	130415010	VQGIMPMUKQUJBB-UHFFFAOYSA-N	232.367	4.687	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1ccc(C)c(C)c1	165800493	XBRFPSGWSVDZDD-HOCLYGCPSA-N	244.378	4.703	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)CC1CCC1	167146808	STUZICPAGDPTOF-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](CC)CCC	226002657	QFCBGNKZDVSZDS-ZIAGYGMSSA-N	213.409	4.514	0	10	BJAE	
CCCCC[C@H](C[C@@H](CC)CCCC)NC	228741436	LYERKLFTKATEBG-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CNc2ccccc2C1	232995062	BLVHDGFMOILQMM-LSDHHAIUSA-N	245.410	4.877	0	10	BJAE	
CCCCCSc1ccccc1C(=O)CC	233097167	RNRJHBUZOUETPP-UHFFFAOYSA-N	236.380	4.562	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)[C@@H](C)c2ccccc2)C1	234112017	YEFRWSKIGAOVEQ-OFQRWUPVSA-N	244.378	4.576	0	10	BJAE	
Cc1ccc2c(c1)[C@@H](CCC1CCCCC1)CN2	235994936	JNBDFUQAYRWYTL-HNNXBMFYSA-N	243.394	4.865	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	251030203	ACRPJTIRDVMDGK-MWDXBVQZSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](CC)c1ccccc1	251863891	OUMLXPJTMDTLHR-OFQRWUPVSA-N	233.399	4.552	0	10	BJAE	
Cc1cccc2sc(CSC(C)C)cc12	257948433	WRPZZWFDNONJRY-UHFFFAOYSA-N	236.405	4.851	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)CC(CC)CC	300931780	VCEQXEBYQYIBCN-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)NCC1(CCC2CCCC2)CCC1	302257563	NFFNPAGTMVYOIH-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1cc2ccccc2o1	308059429	WLOQGVLHXVCTAU-LBPRGKRZSA-N	244.334	4.688	0	10	BJAE	
CCC(C)(C)C(=O)C[C@H](C)C1CCCCC1	310488370	NOLMQKKLTRTRAJ-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(C)c(NC(C(C)C)C(C)C)c(C)c1	310530633	YVYLTXHYLKPHRY-UHFFFAOYSA-N	233.399	4.704	0	10	BJAE	
Cc1ccc([C@H](C)NCCCC(C)(C)C)cc1C	313266088	PWJYIHHEKZXQIT-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC(C)(C)C)CC=CCC1	317118023	GYJMNQZIYMXKBO-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCNCC1(CC=C(C)C)CCCCCCC1	317267248	BHDYTHRACBNRTB-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(CNC(C)(C)C)CCCC1	319500909	BMMIGVGEJHHLDM-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)n1ccc2cc(Cl)ccc21	319688339	WEAVKAHZYULPBF-WDEREUQCSA-N	235.758	4.902	0	10	BJAE	
CCN[C@H](c1cccc(C)c1C)[C@@H](C)[C@@H](C)CC	320028763	JLRPZUZCYKZADT-NUTKFTJISA-N	247.426	4.636	0	10	BJAE	
CC1CCC(C(=O)C[C@@H]2CCC[C@H](C)C2)CC1	383610675	SNFNCXMJIRRIGT-RAFNIBEQSA-N	236.399	4.598	0	10	BJAE	
CCCCCC(CCCCC)NCCCCF	383623372	VUAJCQYAGZQOKJ-UHFFFAOYSA-N	245.426	4.855	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC(C)(C)C(C)(C)C)C1	383730261	ARMDYRQJHLRHCU-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@@H](C)c2ccccc2)C1	384781330	QCXPTVWJXUNBOA-FMKPAKJESA-N	244.378	4.576	0	10	BJAE	
CC1CCC(CCN[C@@H](C)CC(C)(C)C)CC1	385122270	KGZVXDNTZYHKEM-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CNC[C@@H]1CCC[C@@H](C)C1	391169232	KGLODWUJEPFRPL-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)CCN[C@@H](CC(C)C)c1ccccc1	394462165	PIYCQJKVRKGYSR-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H]1CCCC[C@@H]1C	395029540	KESRJRNONQFWKE-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@](O)(CC)C(C)(C)C	395383800	FCTUGDASKZMWOD-DZGCQCFKSA-N	228.420	4.780	0	10	BJAE	
CCc1c(C(F)(F)F)cc2ccsc2c1C	396304561	NFLVXWZNGDWUAB-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)cc1)[C@@H]1CC1(C)C	397667414	YNFBVONBZALKDB-LSDHHAIUSA-N	231.383	4.622	0	10	BJAE	
CCC[C@H](NC1CCCCCC1)[C@H]1CC1(C)C	397831688	RXRJGUKUVRVVIB-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)C(C)(C)C(C)(C)C	401101702	YQOMZIIDJBGPJW-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C2(C(C)C)CCC2)c1	686926536	VSLOJZJUKWRCES-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)CC1CCCC1	688392202	ANOZQJDLHRCAKE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)c1cccc(C(C)C)c1	688913218	IKGXZWQFLCNDBS-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2CCC[C@H]3C[C@@H]32)CC1	691761780	UHVCSGHAFIPPFC-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1cccc(Cl)c1CC1CC1	694973853	TYNDEVJHRMVMSJ-UHFFFAOYSA-N	222.759	4.590	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@@H](C)C(C)(C)CC	695152184	JCAHYVUCXZUUHK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@H]2CCCC3(CC3)C2)C1	695689196	KQUDESWOVFCUME-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)[C@@H]2CCCC3(CC3)C2)CC[C@H]1C	695914659	CRPFQLDKXYZZRP-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@@H]1CCCC2(CC2)C1	695981362	DFMJVAHTOQHCKO-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C1CCCC(CNC2C[C@H]3CC[C@H](C2)C3)CCC1	697983528	XBLWACZDLFLZSO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1	698783747	KWBGMAAHIVLIGI-YOKBYHGQSA-N	241.378	4.577	0	10	BJAE	
CCC[C@@H](C)C[C@]1(N)CCCCC12CCCC2	704471078	BMTWVTRZEXPCNQ-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC1CCC([C@]2(N)CCCC[C@H]2C2CC2)CC1	704472008	BENKFIONWRFTDH-MHVXSEJMSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(CC1CCC(C)(C)CC1)C1CCC1	705347939	BIGYCZWUCWSQAS-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@]1(N)CC[C@@H]2CCC[C@H]21)C1CCCCC1	707880674	POCPHOJRVFHZQE-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@H](NC)[C@H](C)CC(C)(C)C	708318274	WJQFJVXNGFYYCD-CZUORRHYSA-N	247.426	4.582	0	10	BJAE	
C[C@@H](C[C@H]1CCc2ccccc2N1)CC(C)(C)C	709100275	GUSLYPASTMJZLI-DZGCQCFKSA-N	245.410	4.876	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CCCCC[C@H]1C(C)C	709216983	JRMNWKPEUZZJSO-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(C(=O)[C@H](C)CC(C)(C)C)c(C)c1	709265010	TWTBOTLWCJIXQK-CYBMUJFWSA-N	232.367	4.558	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC(C)(C)CC	710248343	TYGZGDGIENLAQB-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
C[C@H](C[C@](C)(O)CC1CCCCC1)C(C)(C)C	710747173	INGQUXXAWSLZFT-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CN[C@@H](CCCC1CCC1)c1c(C)cccc1C	711164507	CQIFZADESLAOJC-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@@H]1CCC(C)(C)C	717532915	MPEQBSRFPPTITM-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCSc1cccc([C@@H](C)N)c1	718519685	GQSDZBNAPZBTTM-CYBMUJFWSA-N	249.423	4.545	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)C1(C)CCC1	720663585	CHVWFLZTTNJUJJ-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(CC)C(=O)CCCC(C)(C)C	721685729	YCMNZMZDQFOFEH-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)C(C)(CC)CC	721737143	QQCPWKJRABOOFG-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)CC[C@@H]3CCCC[C@@H]3C2)C1	723610749	BEDKEZBWKVGZJP-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CCCCCN(Cc1ccc(CC)cc1)C(C)C	1179913900	MDCVSQOOBYEYMX-UHFFFAOYSA-N	247.426	4.650	0	10	BJAE	
Cc1ccc(NCc2csc(C)c2C)c(C)c1	1461085833	PSAYFDQUIYBFKH-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCC[C@H](C)CCN[C@H](CCC)[C@@H]1CC1(C)C	1658815591	JFPQIBDNFWEBSY-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(O)CC=C(C)CCCC(C)C	1900879781	DNSKYTMBBNRBLC-OAHLLOKOSA-N	226.404	4.700	0	10	BJAE	
CCCCCCc1ccccc1C1(C)CC1	1901881983	ZIOJRIGCLBLTSP-UHFFFAOYSA-N	216.368	4.861	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)c1ccsc1	1905436021	WIXWAVNTHGXFRQ-GXTWGEPZSA-N	239.428	4.615	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C2CC3(CCCC3)C2)C1	1912646416	SBQKKVBOFBXMRJ-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CCC1CC([C@@H](O)c2ccc([C@@H](C)CC)cc2)C1	1921168526	BSQZYNFDAUPIES-KLBWVBMESA-N	246.394	4.670	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@@H](C)C1CCCCC1	1924081959	VKUJGJDJZNCMPB-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@H](C)C1CCCC1	1924102894	CYORADIMKPRCJR-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN[C@@H](CC)C[C@H](C)CC	1926143021	BXGSTHCXNNRTHG-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1CCC[C@H](C)C1	1926213323	SKRDJKSNPUWPID-GXTWGEPZSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)C[C@H](O)c1cccc(CC(C)C)c1	1926379107	BRLXPTDUWZAKPH-KRWDZBQOSA-N	248.410	4.745	0	10	BJAE	
CCC(CC)C[C@H](N)Cc1ccccc1C(C)C	1926384899	UHOKXEBROBOGAM-INIZCTEOSA-N	247.426	4.506	0	10	BJAE	
FC(F)=Cc1cc(-c2cccs2)cs1	1927565890	QKWWVIZRMSLJFE-UHFFFAOYSA-N	228.288	4.714	0	10	BJAE	
CC(F)(F)CCCC[C@@H]1C=CCCC1	1932602661	WRHCILMBZWZVEN-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
C1=CCC(C[C@H]2CCC3(CCCC3)C2)C1	1934209965	QPWKPVSHYZMFGQ-CQSZACIVSA-N	204.357	4.703	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C(C)(C)C1CC1	1936123706	AESMDKMYKDHYFD-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CCC1CC=CC1	1936721095	UJNMYRMTJAAOAZ-SOUVJXGZSA-N	218.384	4.805	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](C)C(C(C)C)C(C)C	1940246909	VOYDYBAVNAEZNB-ZIAGYGMSSA-N	241.463	4.717	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)CCC1CCCCC1	1940854262	VSFFNCFAYPAXJZ-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC([C@@H](N)CCCC2(C)CC2)CC1	1940876930	NXZLOJUZSFJNLV-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)c1ccc(N)cc1	1940967834	QILDDRXDPMEDIZ-ZIAGYGMSSA-N	233.399	4.979	0	10	BJAE	
CC(C)SC[C@@H](C)Nc1cccc(C2CC2)c1	1941167088	UZQQRQKHEDKTEU-GFCCVEGCSA-N	249.423	4.506	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CCC(C)(C)C)NCC	1941265564	WMWGXPAQMYMUSX-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCCCCC2CC2)[C@@H]1C	1941576970	WFGZAEAJLZKDJW-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
NC1(CCCCCC2CC2)CCCCCCC1	1941580545	BDUNFZWYJIQHAL-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CCCCCC1CC1	1941591610	MVXFLWONZZTOMO-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2C[C@H]3CCCC[C@@H]32)n1	1941709296	LIJHKPMKCTWEIQ-QNWHQSFQSA-N	249.423	4.950	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C1(C)CC(C)(C)C1	1941985618	LVEYPIDUETUHCF-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)c1ccsc1C	1944452202	NWCFBHIYSPTTHU-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2CCC[C@@H]2C)CC1	1944790712	OLHQIONKVDRRLH-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@H]1CCC[C@H]1C	1944836334	JXTHERSMDCVBSO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@H]1CCC(C)(C)C1	1945583097	PEOSCBXNNLKSFO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@H](C)CC(C)C)c1C	1948324434	ZJVYHAIZSOEXCN-DZGCQCFKSA-N	233.399	4.786	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H]1CCC2(CCCC2)C1	1949449837	BTCZYWQIXAXUMS-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CN[C@@H](CCCC(C)=C(C)C)CC1CCCC1	1949862649	SSRJENCWIUWTLA-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC1([C@@H](CCCCCC2CC2)NC)CCC1	1951237311	XHRXNZQHJHARPP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC=CC[C@@H](C)c1ccc(OCC)c(OCC)c1	1951305813	ZRDRIBNZVYELOF-CYBMUJFWSA-N	248.366	4.554	0	10	BJAE	
CCCCCCC(=O)C(CC)(CC)CC	1959914787	QZBWRVQYXIUMRD-UHFFFAOYSA-N	212.377	4.742	0	10	BJAE	
C[C@H]1CCC[C@H]1Oc1cc(Cl)ccc1Cl	1962569440	JZXGEDFYLFZCFA-GZMMTYOYSA-N	245.149	4.561	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC3(CCC3)C2)c1	1968251360	DDEYCRDQDSPINY-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
Cc1ccc(OCC2[C@H]3CCCCC[C@H]23)cc1C	1968308750	ZBRSBTRQDFYQRY-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1NC1CC2(CCCCC2)C1	1968346975	UPUVQYMXBPGISC-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(N[C@@H](C)c2ccc(C)cc2)C1	1968547950	NMLVYCZLPOTCMY-UQPPLGOBSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1CC(CC)(CC)C1	1968859245	MAVFAPUMCQULOH-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@H](C)c2ccccc2)CC1	1969972661	YAALGTDCMZILDF-BFYDXBDKSA-N	245.410	4.552	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1973573149	KHUDCCDACZSXRO-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CC[C@@H](C)C1	1975746927	FOCKSBPGVHQLFC-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)CCC(=O)[C@H]1CCCC(C)(C)C1	1978370160	UBQVHDSUHOLXDD-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)(CC)C(=O)CCCC(F)(F)F	1978451082	CEWZARBBCORPDP-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CCCCC[C@H](NC)C1(C)CCCCCC1	1978539499	VMVLKNUZBGBVTK-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C1CCC(C)(C)CC1	1996561669	OMUUDDVRUXKXCT-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CCCSc1ccccc1N[C@H](C)[C@@H]1C[C@H]1C	1996564640	SKRXBOUZHJGALP-JHJVBQTASA-N	249.423	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@](N)([C@H]2CCCC(C)(C)C2)CC1	2000062650	NSPHCFCHBAWNKB-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](C)(CCCCCC(C)C)C(=O)O	2000499047	GSNZJWHJMXFALG-HNNXBMFYSA-N	242.403	4.874	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@H]1CCCC(C)(C)C1	2002983121	KRWUIXHECBHQKF-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)[C@](C)(O)[C@@H]1CCCC(C)(C)C1	2003023814	YUOZAUYPUAGIEO-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCCCC1CCC([C@H](CCC)NC)CC1	2003067883	YYTRMJBNRIGQNF-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCCCCC[C@H]1O	2003111214	JUSNSBMHYPPRGX-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CCC1(C[C@H]2CCCCCCC[C@@H]2O)CCC1	2003119442	VKMPJAWQPCHCAC-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
C[C@H](C[C@H](O)[C@]1(C)C=CCCC1)CC(C)(C)C	2003333801	GYWYYYJGGVIOCI-IJEWVQPXSA-N	238.415	4.556	0	10	BJAE	
CCC1(C)CCC(NCCC(C)=C(C)C)CC1	2004368684	FXKPJVNGRNTLAW-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CCC[C@H]1C(C)C	2007615869	NALQPGUWMVYYIR-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CC(Nc2c(C)cccc2F)C1	2009296020	CBIGYITYWNEKME-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CC1(CCC2(N)CCCCCCCCC2)CC1	2009543209	DDXAFXRZAXGYHV-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
C/C=C/CCC[C@](C)(CCCC)CNCCC	2009625906	CYBAREDDSDEGRG-WHWKNOJMSA-N	239.447	4.929	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CC[C@@H](CC)C1	2009634600	HWGKKGKMGFLHOW-ATXAQRJXSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](NCC)C1=CC[C@H](C(C)C)CC1	2010721553	ZYUQMFCIACMIBK-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](CC[C@]12CCC[C@@H]1C2)NC	2011031482	QDEVTCPWMGKDEB-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](C)(O)CC1CC(=C2CCC2)C1	2011057790	SQANHUXRWVVCDU-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@H](C)C(C)(C)C	2011183213	JSQWXQGGNZZCLL-AWEZNQCLSA-N	241.463	4.817	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC[C@H]1C)C1(C)CCCC1	2014337678	DZYOXZPQXVQSIV-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)[C@@H](C)CC(C)(C)C	2015291576	TYXWSFPQNXODCB-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC[C@](C)(O)CC(C)(C)C)C(C)C	2015332666	IVLDGWXAHXRQOB-INIZCTEOSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(C[C@@H]1CCC(C)(C)CC1=O)C(C)C	2015388433	OQQUQOIKQXBNNQ-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CC[C@@H](CC)C2)CCC1	2015598233	RLUFOPPAGRMHLX-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC[C@H]2C(C)C)CCC1	2015644117	JODRPYKNNHYHAC-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CCC[C@H]1CC1(C)C	2016119664	MNWSQXYNTQGCLT-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCCCC1(C)C	2016150834	YJHRWNAIUKTDKE-GJZGRUSLSA-N	237.431	4.680	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(=O)c1ccc2sccc2c1	2016409933	GLZMWQSLMDZSGO-ZUZCIYMTSA-N	244.359	4.520	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@H]1C1CCC1	2017041776	DDTCJEPOUYULBV-HRCADAONSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C(=O)CC1(C(C)(C)C)CCC1)C1CC1	2017127171	KYNBKWXZYLZUBY-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(C[C@@]2(CC)CCCN2)CC1	2017721676	BKGFVQPOPYSPHW-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(C)[C@@H](N)C(C)C)CC1	2017738975	YBJIVPWMKBSZIR-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)N(C)C1CCC(CC)(CC)CC1	2019304926	BODGWUMSBVMWNR-UHFFFAOYSA-N	239.447	4.856	0	10	BJAE	
CCC(C)(CC)CN(C)CCCCCC(C)C	2019341642	CKQVPXRPTMNFEF-UHFFFAOYSA-N	241.463	4.961	0	10	BJAE	
CC[C@H](C)N(CC)C1CCC(C(C)(C)C)CC1	2019405773	YIPQHYJQYYXBEE-NFOMZHRRSA-N	239.447	4.712	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(C(C)(C)C)CCC2)C1=O	2024004652	QXGCFYJABPWGIL-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCC[C@@H](N)C2)C1	2024091439	IOZVJLRTWSQVJM-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC1CCC(O)(C[C@H]2CCCC(C)(C)C2)CC1	2024127724	GRUZCHQDRQSPQU-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@@H]1C[C@@H](C)CCC	2024511762	XXMXUPOSSPSIAT-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CC(C)(C)C1(C)C	2025017337	ANHSZUVKBJDBJX-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CC1(CC[C@H](O)c2ccc(C3CCC3)cc2)CC1	2027734325	CPIITARZOBUHMD-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1[C@H](C)CC[C@@H](C)[C@H]1C	2027793797	PLIXSRCJHGDDRF-XNIJJKJLSA-N	249.373	4.617	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]3CC[C@H]32)cc(C2CCC2)c1	2027993325	FLIVQAZYDYJZKN-IAOVAPTHSA-N	241.378	4.555	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)[C@H](CC)C(C)C)cc1	2028231230	CKZIKDASQVVVAI-IAOVAPTHSA-N	248.410	4.916	0	10	BJAE	
Cc1cccc([C@@H](O)[C@H](CC(C)C)C(C)C)c1C	2028234094	CISAHNGCBVQXCM-IAGOWNOFSA-N	248.410	4.655	0	10	BJAE	
CC(C)c1ccc(OCC2CCC=CCC2)cc1	2028871065	WPYYCZOHFPFJRX-UHFFFAOYSA-N	244.378	4.935	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)[C@H](C)CCC(C)C	2029838113	REUMMUVVBHQUHM-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
N[C@H](CC1CCC1)c1ccc(C2CCCC2)cc1	2031749906	NAKAJAANSMCHOS-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CCC[C@]1(CC2[C@@H]3CCCC[C@@H]23)CCCCCN1	2032826489	XTXXROXFHMTHGR-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCC12CCC(CC1)C2	2033440712	AYLQWIVOYRZDSM-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CN[C@]12CCCC[C@H]1C2)C1CCCCC1	2034015623	DBMMAAIUIAEPRI-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC1CC(C2CCCC2)C1	2035402126	BKRFAXFVIKBKSP-RDHHWEPZSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CCCC[C@H]1C	2035575959	LQLLXBQPNONOBH-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C[C@H]1C=CCC1	2035597652	HHUXCVPMNQYPOJ-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC(Nc2ccc3ccccc3c2)C1	2036447138	CAILAFZGWUBODU-UHFFFAOYSA-N	239.362	4.830	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1CC2(CCCC2)C1	2036544479	WRTBDVQCNABPFX-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCC1(CC2(N)CCC(C3CCC3)CC2)CCC1	2037101814	KLHWNCAZMZSIPZ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CCCC2CCC2)cc1C	2037140498	WBIHJDJUHBSGLD-KRWDZBQOSA-N	245.410	4.582	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)[C@@H]1CCC2(CCCC2)C1	2037595176	VBPZBLMHSRQDSQ-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC(C)(C)CN1[C@H]1CCC2(CCCC2)C1	2037675530	NOHCTSYFBQKPNT-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CCC[C@](N)(CC1CC2(CCC2)C1)[C@@H]1CC1(C)C	2038079382	VBFXJORBQSUDQE-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC1CCCC1)[C@H]1CC12CCCCC2	2039000067	PFOLQYFUTYMCNE-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(C(=O)[C@H]2CCC[C@@H](C)CC2)c1	2039372702	FPDBJSHXINJJJX-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
C[C@H](NC[C@@H]1CCCC(C)(C)CC1)c1ccco1	2039379315	YSPHVZAOSLCQGM-UONOGXRCSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C2CC3(CCC3)C2)CC1	2039384240	HCYBUAGEBVOCGI-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
C[C@H](N[C@H]1CCCCC[C@H]1C)C12CCC(CC1)C2	2039865635	QOFLBBGBEAHPTB-FYKOZOLNSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@@H]1CC=CCC1	2042019153	LWYKJHDNRYSDOS-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1(C2CC2)CCCCC1	2042948936	ONUIZZCMYWJGGC-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(C)c(C(=O)C2CC(C(C)(C)C)C2)c1	2042999848	HKBQYRZFNCKKPM-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
C1CCCC(N2CCCC23CCCCCC3)CC1	2046564515	UIFFYLZMRMBDIS-UHFFFAOYSA-N	249.442	4.898	0	10	BJAE	
CCC1CC([C@@]2(N)CCCCC23CCCCC3)C1	2048627628	PWQFBGMQXWFMLS-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCCc2nc([C@@H]3CCCC(C)(C)C3)[nH]c21	2049569673	FTUQYKRISXRLHE-NWDGAFQWSA-N	246.398	4.533	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(C[C@@H]2CCCC3(CC3)C2)C1	2049845119	HDIXOWJYFXDJFD-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CC1CCC(C(=O)C[C@H]2CCCC3(CC3)C2)CC1	2049950447	HJSRXQOEXYWMRV-SHARSMKWSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C1CC(C)(C)C1)[C@@]1(C)C=CCCC1	2050002645	JMOUBHDWTQNKHY-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(NC2C3CCCC2CCC3)c1F	2050043841	WGJBULVAPGYEID-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C1CC(CC2CC2)C1	2050214555	ZXAUMEFVUSKQRH-JCYILVPMSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H](C)CC(C)C)c1cccc(C)c1	2050442064	SLBLOAYNQMEOEY-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CC1(C)C[C@@H]1CCCCC(=O)c1cccc(F)c1	2050495418	TZSNYPWKJPPIDH-ZDUSSCGKSA-N	248.341	4.615	0	10	BJAE	
CC[C@@H]1CC[C@H](NC[C@H]2CCCCC23CCC3)C1	2053435544	DJJUDVFUNRMYSV-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC(C)=C1C)[C@H]1CC1(C)C	2055549008	HGQANDIAGZEACO-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
CCC[C@H](N[C@H]1C=C(C)CCC1)c1ccccc1	2055552456	PGQMUTVLQKFPKJ-SJORKVTESA-N	243.394	4.616	0	10	BJAE	
CC1=CCCC[C@@H]1NC1CCCCCCCCC1	2055672593	UYFDGGXCMKKGNO-KRWDZBQOSA-N	249.442	4.968	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C1(C)CC=CC1	2056873470	NTYCBFFOWRCINA-INIZCTEOSA-N	247.426	4.601	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)C1CCCCCC1	2056877970	GAKXRHNSHFKHJT-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
Fc1ccc(C[C@@H]2C=CCCCC2)c2c1CCC2	2057857658	RCNZHFHFUPJYPA-CYBMUJFWSA-N	244.353	4.603	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C1=CCC(C)(C)CC1	2061086970	CBDNVERUIHWNQW-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C1=CC[C@@H](CC)CC1	2061148620	WHZOGYFQEOHYAA-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)CC[C@]12CCC[C@@H]1C2	2061639202	RQOGIGVOZYBUAA-SVGFKBNWSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1	2063471751	OPBDKOBDRLYXFC-MUJYYYPQSA-N	243.394	4.542	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@@H](NCCC)CC(C)(C)C1	2063635747	JWFLRVMMAYCJGQ-HZPDHXFCSA-N	249.442	4.703	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](C[C@@H]2CCCC3(CC3)C2)N1	2066376150	REKUZHHNRNMAQK-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NC[C@H]1CCCCC12CC2)C1(C)CCCC1	2067521736	UDQGJCIIJUJRGD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC1CCC2(CCC2)CC1)[C@@H]1CCC1(C)C	2068346163	OVIDZTVYBZLEIX-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C[C@H](C)[C@@H](O)c2ccccc2)CCC1	2069330574	JPZSTGIVDOEOOY-GOEBONIOSA-N	246.394	4.717	0	10	BJAE	
CCCC1(C[C@@H](O)C2CC(=C3CCC3)C2)CCC1	2069332173	CFCDJDMNKXNWBW-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc2c(c1C)CC[C@@H]1CC[C@H](C)C[C@@H]21	2070297104	DRWFBVVVAVRLNH-PZSREKOKSA-N	228.379	4.769	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@@H]1CC)C1=CCCCCC1	2071513244	ZEMIROFHKAFYHH-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C1CCC(CCCN[C@H]2CC[C@H]2C2CCC2)CC1	2071788282	UDKUYQXGLHLMMY-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]2C2CC2)CC1	2071794047	KTBALQWMAKALSF-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)C[C@@H]3CCC[C@@H]3C2)CCC1	2071941082	PQKZCTPTXUODOC-HALDLXJZSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@@H](N)C2(CC3CC3)CCC2)CCC1	2071952280	BEJTXSCJBYZKAH-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CCCC12CCCCC2	2074899986	OAAOZKPUNCTRRK-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
CN(CCC1=CCCCC1)C[C@H]1CC[C@H](C)CC1	2075146784	FJQNITJKUVSVTM-JCNLHEQBSA-N	249.442	4.635	0	10	BJAE	
CC(C)CC1(CN[C@@H]2C=CCCCC2)CCCC1	2075362829	MZUFPOMBSVNMJP-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN(C[C@@H]1C=CCCC1)C1CCCCCC1	2076552062	FBDROZANBFEJIF-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
C[C@H]1CCC[C@H](C)C1Nc1ccccc1C1CC1	2077261612	AWAMRXICWKHYML-STQMWFEESA-N	243.394	4.801	0	10	BJAE	
CC(C)CCCCCN1CC2(CCC2)C12CCC2	2077932576	AHEZBWUHCZWXAW-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(C)c(NC[C@H]2C[C@@H]2C(C)(C)C)c(C)c1	2080018987	JPQBRFOMBFTSNP-CABCVRRESA-N	245.410	4.706	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)C23CCC(CC2)C3)C1	2082980213	TUAYGMASDYGSPA-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1C[C@H]2CCC[C@H]1C2	2086160430	UTTBPZQXUYKNCS-YLQAJVPDSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CC(C)(COc2ccccc2Cl)C1	2211646993	DXARQELBXUVHQM-UHFFFAOYSA-N	238.758	4.545	0	10	BJAE	
CC(C)(C)C(=O)CC[C@H]1C[C@H]2CCC[C@H](C2)C1	2213281467	WRVLZHZMUCZYJT-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC[C@@](C)(NCCCCCCC2CC2)C1	2213577171	YXVVVXISAPLEHL-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCCCC1CC1	2214583520	QWDCZJMTOQTUKU-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CCCCC2CC2)C1	2214586735	XJWSVIFKADVVSK-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)[C@@H](C)CCC	2214586765	XFJOIWGKWSYYHB-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)C=CCCC1	2216878012	ABZAHJSQMDBEPW-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(C)C[C@H](CNC1CCC1)CC(C)C	2217129132	JMQZLVNEZILNBA-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1NC[C@H]1CC=CCC1	2217241651	QJVRGTINEIEJPI-LBPRGKRZSA-N	249.785	4.671	0	10	BJAE	
N[C@@H]1CCCCC[C@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218357711	SEBADABXJFICRF-JZAWBGDQSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C1(CC2CC2)CC1	2218724601	GWJOUSJLXIZYIS-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1n1ccc2cccc(F)c21	2220310609	ISFCHEGCEDABSE-IUODEOHRSA-N	245.341	4.922	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)CCCCC12CCCC2	2220882566	XOTIZHPGIDGYIU-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C2(C)CC3(CCC3)C2)C1	2221000482	DTLJRGIIDNZDTM-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@@H](C)C2CC(C)(C)C2)CC1	2221643212	ALNWAHBRSSYCSB-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2C[C@H](C)CC[C@H]2C)CC1	2221643333	NBXGKNWZVJUASQ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2(C(C)C)CCC2)CC1	2221646088	PMUHEUBNRONWSZ-INIZCTEOSA-N	248.410	4.908	0	10	BJAE	
C[C@](N)(CC1CC1)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222949933	TXHDGAJJLJCWPS-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
C(CCCNC1C[C@@H]2CC[C@H]2C1)CCCC1CC1	2223158770	LIMSVXIVXIHZTD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)c1ccc(C2CCC2)cc1	2223683221	GXVWCSHDKVIQFP-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC1(C)CCCCC1	2224089146	VWQDWICPMYPIKN-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)[C@H](C)C(C)C	2250479272	SEAGVWXZYHYGNB-ARFHVFGLSA-N	241.463	4.848	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)CCC1CC1	2250519043	LWUGCPNVNLSFST-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@]12CCCC[C@H]1CC2	2251211124	JBSMMKZNVAYUIP-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCCc1ccc2ccc(Cl)cc2n1	2252699523	FNGQHMNTOGJLED-UHFFFAOYSA-N	245.753	4.787	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)C1)[C@H]1CC=CCC1	2253664422	RPHPBHCEXZEHMF-VUROTCPHSA-N	249.442	4.537	0	10	BJAE	
O[C@@H](C=C1CCCCC1)C[C@@H]1CCCCC12CC2	2253783412	MXRJHLLGXHUGHC-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1CCC1)CC[C@@H]1CCCCC12CC2	2253825035	RLYQVVWQGIIVDP-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C23CCC(CC2)C3)C1	2253935898	BOJWJPBVBYAFBO-JFBXJRRNSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCCC[C@@H]1C[C@H]1C)CC1=CCCCC1	2254509602	GHLYRWAOGOMSDK-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@H](N)CCCC[C@H]2C[C@@H]2C)c1C	2254609071	LUZYBPMJUHIZGU-JLJPHGGASA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@H]2CCC2(C)C)Nc2ccccc21	2254829700	FKVPXXCFDFNIID-MCIONIFRSA-N	243.394	4.801	0	10	BJAE	
CCCCC[C@@]1(CNC2CCC2)CCC12CCC2	2254859095	USCLXRVSHQGWFQ-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H]1CCC1(C)C	2254969432	UKOFAUDLQLSRDE-CQSZACIVSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H]1CC(C)(C)C[C@@H]1CC1=CCCCC1	2255136087	GBOQHHJBZOOOIC-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@]1(C)NCC[C@H]1CCCC12CC2	2255289171	SWFVYPRNWZVAJI-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)C[C@H]2CC[C@H](C2)C1	2257362117	PXTUVHLAWXSSAN-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2cc(C3CC3)ccc2F)C1	2259125550	GUITXXCUBXPEBJ-FZMZJTMJSA-N	247.357	4.694	0	10	BJAE	
CC1CC(C)(CNc2cc(C3CC3)ccc2F)C1	2259127726	UTXCAZUQKFNMGX-UHFFFAOYSA-N	247.357	4.551	0	10	BJAE	
CCCC(=O)CCc1cccc(C2CCCC2)c1	2260728840	APTODGPWRFNUMX-UHFFFAOYSA-N	244.378	4.646	0	10	BJAE	
CC1CC(CC[C@H](O)c2ccc(C(C)C)cc2)C1	2261507750	YLKHLNQQVFRNBL-KVULBXGLSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CC)[C@H](CC)CCC	2298646236	PWHHQQQREFGKDM-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C[C@H](C)CC(C)(C)C	2298904139	FXCHZVFHEIDWTM-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CC1CC1)[C@H]1CCCCCCCCC1=O	2298933391	QMLMNGAAXOHZRQ-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C(C)(C)C1CCC1	2300901347	IMDMZUOUBZTTCY-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@]1(C)CC[C@H](C)C1(C)C	2300902302	SLPDODSVJUCTKA-DZKIICNBSA-N	237.431	4.523	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)C[C@@H]1CCC=CCCC1	2301896509	IZRLWGAOGKIPTN-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCCCC[C@H](F)C1(N)CCCCC1	2302585964	RWPBINWJVQTUPU-AWEZNQCLSA-N	243.410	4.593	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C[C@@H]1CCC(C)(C)C1	2302676830	YOBBKNKDRYCGGZ-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C[C@@H]1CCC(C)(C)C1	2302691921	VLNSJYZAKNPPAL-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCc1cscc1N[C@H]1CC[C@H]2C[C@H]1C2(C)C	2302885097	MFUPMZNXXLGVKM-XQQFMLRXSA-N	249.423	4.547	0	10	BJAE	
CCNC[C@]1(CC(C)(C)C)CCC(C)=C(C)C1	2303472237	QUVFOMYVDGOQGC-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@@H]1CCC(C)=C(C)C1	2303585172	UVGSKDAHHLBGTB-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC(C)CNCCCCC[C@@H]1CCC(C)(C)C1	2304409642	FEGYXIYXSOLSDE-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC[C@@H]1CCC(C)(C)C1	2304433359	BESCYOASACPYTL-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCCC[C@@H]2N)C1	2304448416	YBOUALZEARPLKP-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1c1nc([C@@H]2CC23CCC3)cs1	2304488379	ZZFDZDRVSDEQEH-WOPDTQHZSA-N	247.407	4.704	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@H]2C)c1F	2307559664	RIIOKGPAHGRDNK-DGCLKSJQSA-N	235.346	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN)CCCCC1(C)C	2307909501	USBJOBJFTGZESF-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2311152453	PNEKMNODCKEHBU-SRABZTEZSA-N	246.394	4.518	0	10	BJAE	
CCC(CC)CCC(=O)[C@H](C)c1ccc(C)cc1	2316253391	XKDKFZLUXPDMJD-CQSZACIVSA-N	246.394	4.884	0	10	BJAE	
CC=CC[C@H](NCCC)c1cccc(C2CC2)c1	2316510665	WQLZKUDCJRCHSO-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC(=CC[C@@]1(N)CC[C@@H]1C1CC1)CCCC(C)C	2316562694	CSBYKKIKYLKBKU-IAGOWNOFSA-N	249.442	4.667	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@H]1C[C@H]2CCC[C@H]1CC2	2316691278	VSJMRKWMXUONDK-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317149907	YTHPTYYICVEGSO-KLHDSHLOSA-N	249.442	4.523	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@@H](C)[C@@H](C)C(C)C	2317628399	ADNOTQWQLSUGIC-KKUMJFAQSA-N	247.426	4.580	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N1[C@H]2CC[C@H]1c1ccccc12	2318002000	TYTYHEGLNRMAQE-OMNBBPDLSA-N	243.394	4.559	0	10	BJAE	
CC(C)(C)[C@H](NCCCC1=CCCCC1)C1CC1	2318544485	YPLHLHLCGNBSIA-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
O=C(CCCCC1CC1)CC[C@H]1CCCC12CC2	2318887602	GLRHEPQJHDJBBK-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CN(CCC1=CCCCC1)C[C@H]1CCC(C)(C)C1	2319852869	BBOITAAGTHNLEK-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CCNC[C@]1([C@@H]2CC[C@H](C)C2)CCC(C)=C(C)C1	2320394053	LUGAKQYJWRJXDG-XKQJLSEDSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)c1cccc(C(C)C)c1	2320527272	JNIUAZFOLPINEA-DJIMGWMZSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc2ccn([C@H](CC3CC3)C3CC3)c2c1	2320694159	AKSGELWMYIZKDY-QGZVFWFLSA-N	239.362	4.701	0	10	BJAE	
O=C(CCC1CCCCC1)[C@H](CC1CC1)C1CC1	2320816482	MNEDNUFRTSHPFW-MRXNPFEDSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(F)cc(NC2C[C@@H](C)C[C@H](C)C2)c1	2321085258	QZYMFIAZNSKCSG-RYUDHWBXSA-N	249.373	4.625	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2C[C@@H](C)C[C@@H](C)N2)c1	2327780312	BKONTIMRUACIPS-VBQJREDUSA-N	245.410	4.568	0	10	BJAE	
CCCCCCc1ccc(CC[C@H](O)CC)cc1	2327905435	LXWKKVDSJMXIHY-QGZVFWFLSA-N	248.410	4.513	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cc(F)ccc2C)cc1	20022736	UBICQMCPMHMKDY-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCc1ccc([C@H](C)Nc2ccc(C)cc2)cc1	21008754	VCZRMIZNRZQYPN-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
CC[C@H](Nc1cccc(C(F)(F)F)c1)C(C)C	37196457	OGHCAWFOZBLXGF-LBPRGKRZSA-N	245.288	4.552	0	10	BJAE	
CC(C)[C@@H](Nc1ccccc1F)c1ccccc1	37211327	FECHJEBYKQTHMS-MRXNPFEDSA-N	243.325	4.635	0	10	BJAE	
CC(C)c1ccc([C@H](Cl)c2ccncc2)cc1	40277549	SHOYHHRAHUFINH-HNNXBMFYSA-N	245.753	4.533	0	10	BJAE	
C[C@@H]1CCC[C@@H](Oc2cccc3ccccc23)C1	85152073	HKVQHQHRTFPNQV-UKRRQHHQSA-N	240.346	4.797	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@@H](CC)c1ccc(C)cc1	92599809	SUBQENJJWYOINJ-IRXDYDNUSA-N	247.426	4.513	0	10	BJAE	
CN[C@H](c1ccc(C)cc1C)C1CCCCCC1	104018023	AWWYKDLVWQRUIQ-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@@H](CCC)Cc1ccc(C(C)C)cc1	109726924	BLBKXJAQUMEBRP-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1ccccc1C1CCC1	132543778	PERFZYVHGVVGEH-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1ccc(F)cc1C	132601257	DKSYBBLLPVQVDS-DOMZBBRYSA-N	248.341	4.533	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1ccccc1	148291161	BXDYPFZPBRBYLA-OIISXLGYSA-N	246.394	4.664	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)c1sccc1C	161350233	DLQYHFVCFQOVJC-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CNCC)C(C)(C)C	162297503	GASLEFSZBRGFMM-LSDHHAIUSA-N	241.463	4.865	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1ccc2ccccc2c1	163661308	CLUPBHNDOPWIRC-CXAGYDPISA-N	241.378	4.537	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)[C@@H](C)C(C)C	229145722	VHBMTIHGQHDIRU-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1cc(Cl)ccc1C	229273592	ATKARNNNWBAAJV-QMTHXVAHSA-N	240.774	4.508	0	10	BJAE	
CCCCCC(=O)c1c[nH]c2c(Cl)cccc12	232929975	HNLJHHXJWKBCDQ-UHFFFAOYSA-N	249.741	4.584	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)c1coc(C)c1	233621129	PJTAASYYJWOOKX-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H]2CNc3c(Cl)cccc32)C1	235355615	ORSXEZCXFWHANA-MDZLAQPJSA-N	249.785	4.675	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCCC(C)(C)C	300856313	LOORSGSBWSPICP-ZDUSSCGKSA-N	226.404	4.988	0	10	BJAE	
CCCC[C@@H](C)c1nc2cc(Cl)ccc2[nH]1	300984623	UXDXHAHBIRJRIE-SECBINFHSA-N	236.746	4.510	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)C1=CCCCCCC1	302391250	NVDACAWMCVTGNC-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCCC)c1cccc(C)c1	302439720	TYSNVNLBAGAWCE-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
CC[C@@H]1CC[C@H](NC)[C@@H](CCCC(C)(C)C)C1	305918300	LBFJMRIJZVRLIR-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)CCC1CCCCC1	306029569	ZWHROTJQEBJTAV-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H](NC)c1ccc(C2=CC[C@@H](C)CC2)cc1	306095662	MILGQZOQPDDHRV-DYVFJYSZSA-N	243.394	4.561	0	10	BJAE	
Cc1ccc2scc(Cl)c2c1Cl	307421123	MGVFSPNFENTUPI-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCC1(C[C@@H](C[C@H](C)C(C)(C)C)NC)CCC1	310126428	JJDGWIRLCXHAQK-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](CC1CCC(C)(C)CC1)NC	310128772	KCUCUBVOKMVHOK-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(O)(CC2(C)CCCC2)CC1	310278338	OWFUMVPNCPOXMU-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCC[C@@H](C)C2)c(C)c1	310780520	RMJVUZOVNPJIDS-IUODEOHRSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@@H](CC)[C@@H]1CCCC12CCCCC2	313092901	CDUHFUBUYSZYJR-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@](O)(CCC)C1CCCC1	313395270	HCEWKJFBTJEMOE-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1ccc(CC(C)C)cc1	319413799	VLBZQYVSLMQNPD-VBQJREDUSA-N	248.410	4.601	0	10	BJAE	
CCN[C@H](c1ccccc1CC)[C@H](C)[C@H](C)CC	320057356	MAZIUZSLVYZEOT-CPUCHLNUSA-N	247.426	4.582	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H](C(C)C)C1CCC1	324895431	HBRGHKWJHYZATR-NUEKZKHPSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](N[C@H](CC)C1CCCC1)C1CCC1	325074323	WZCMPSDNVLVIFD-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CNC(C)C)CC1CCC(C)(C)CC1	379815108	QMFVEHBVOQVJEV-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(O[C@H](C)CC(C)C)c(C(C)C)cc1N	382147187	UHPDTEIVNLIHFZ-CYBMUJFWSA-N	249.398	4.514	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@H](C2CC2)C1)C1CCCC1	382816210	CKDZKHWLDVBLJV-ULQDDVLXSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCC[C@@H](C)C1	383211593	QADZLNTUIHPKDB-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H](C)C1CCCCC1	383622929	AENAVEXFHIVYIA-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)[C@@H](C[C@H](C)C1CCCCC1)NC	383747005	DFNUCVJFRJZTIC-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H](CC)CC1CCC(C)(C)CC1	383885984	KQWHWWGLYXDHMI-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCCC1(C(=O)c2ccc(CC(C)C)cc2)CC1	385169543	ODXGKCSTRLILAE-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
C[C@H](Nc1ccc(C(F)F)cc1)c1ccccc1	386173552	NJRDHTZDTKHNTA-NSHDSACASA-N	247.288	4.797	0	10	BJAE	
CC[C@H](C)CCNc1ccc(Cl)cc1Cl	394397573	HYMVSZFBROCOOM-VIFPVBQESA-N	246.181	4.842	0	10	BJAE	
CC[C@@H](C)CCN[C@@H](c1ccccc1)C(C)(C)C	394455949	JOEXBULZFCLWQL-ZBFHGGJFSA-N	247.426	4.800	0	10	BJAE	
CCOc1ccc(Cl)c2cc(CC)sc12	396186939	HIPISCBPFILRGA-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc(C)cc2sc(C(F)F)cc12	396217302	IPAITEDAVNWEIM-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1sc2ccc(S)cc2c1C(F)F	396253862	VLIZUGCBSKRWRH-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@H](C)C(C)(C)C	399140017	ZJHGSWZACLAALW-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
O=C(CC1CC=CC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	692094698	NLUTYHKFVUMXJM-HRCADAONSA-N	246.394	4.518	0	10	BJAE	
CC(C)CC(=O)[C@@H](C)c1cccc2ccccc12	695074438	OKKIZFLMLPVKQS-ZDUSSCGKSA-N	240.346	4.559	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1NC1CCC2(CC1)CC2	695690730	OSGIUGXFMFRKCF-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](NCCC(C)(C)CC)c1cccs1	696751409	NOOLCGJWPOKBRA-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
CCCCC[C@@H](CC(C)(C)C(C)(F)F)NCC	697096052	DINZQKNXOLVLIO-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H](CCCCC=C(C)C)C(C)(C)C	697766346	DXWDKJNPOZWEPV-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
C[C@@H](CNc1ccccc1Cl)CC(C)(C)C	709074257	HXKBCJSRFBBGLQ-LLVKDONJSA-N	239.790	4.824	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H](C)CC(C)(C)C)c1	709101504	JLJKQOWKRTXLHY-AWEZNQCLSA-N	233.399	4.788	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CC(C)(C)C)C(C)C	709102155	FCAJXDHNKBYHSC-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C[C@H](C)CC(C)(C)C)C1	709184863	HEVCDIPLUFGGHG-LJISPDSOSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H]1CC[C@@](C)(C[C@@H](C)CC(C)(C)C)C1	709195337	ZSKUGBIKSIXUKR-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1cscc1Cl	711506895	QRDTYGKTXPWHIV-LLVKDONJSA-N	246.803	4.651	0	10	BJAE	
CCC(C)(C)C[C@](C)(CNC(C)(C)C)C(C)C	713252915	XVFBYLVLALRKKE-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
N[C@H](CCC1CCC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714425881	UMGNKADSEQAHLZ-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
C/C=C/C[C@H](C)c1ccc(Cl)c(C)c1	714547049	PEGHLUSIGDGKBT-YEZKRMTDSA-N	208.732	4.718	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC[C@H]2C[C@@H]2C2CC2)C1	714821246	LGLIGJNGSSOHGO-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H](C)C1CCC1	718564461	HZXDYWGDRDICJO-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1CCC(C)CC1	718651891	KPEMPEUMHUOUNR-AVVWSFFYSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1CCCC12CCC2	718952523	ULZWBGYBOBWREZ-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCCCCCN[C@@H]1CCCCCC1(C)C	719226572	OBZSKNZKLWCFNE-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)c1ccccc1C	720990784	WXFQDBWXMJWCTR-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CCC1(CC)NCC[C@H]1C1CCCCCCC1	721851661	OYCNCUZQYNEHIP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCCCC(=O)c1c(C)sc(C)c1C	722491509	GPQJCTANWQKRIT-UHFFFAOYSA-N	238.396	4.826	0	10	BJAE	
CC1(C)CC(C[C@@H](N)CCC2CCCCC2)C1	723567587	KEQWDTJRHUXDDM-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
C=C/C=C/CCSC(CCC)CCC	1307292881	KLMMDQUVQNZNOB-BQYQJAHWSA-N	212.402	4.821	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1CCCC[C@H]1C	1560478802	KNBHRCQDKIHJCX-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CNCC1CCC=CCC1)C1CCCCC1	1561018061	NWMOUXRFEOBYOC-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
C(=C\c1ccccc1)\CCSc1ccccc1	1651623927	BAKLAAXNSPBMAZ-XFFZJAGNSA-N	240.371	4.882	0	10	BJAE	
Cc1ccc(Cl)c(-c2ccsc2C)c1	1889517338	COEBHHJPLZKSAL-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CC(=CCCC(C)(C)CN)CCCC(C)C	1900881423	YXRWUQZLGTTWEP-UHFFFAOYSA-N	225.420	4.524	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H](C)[C@@H](C)C(C)C	1901628570	XGDLJOSKTSBZAV-STQMWFEESA-N	226.404	4.700	0	10	BJAE	
CCC[C@@H](CC)C[C@@](N)(CCC)C(C)(C)C	1905360802	MISWJPXNLMTVOP-HIFRSBDPSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC[C@@H]1CCC	1905369793	UFTNZIPKNRUDPZ-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCC(=O)C1CC2(CCCCC2)C1	1912629847	XHDQPLMQUYRPEE-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C1CC2(CCCCC2)C1	1912630524	LDCJBMRCPYGVJV-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)NC[C@@H]1C[C@@]12CCC1(CCCCC1)C2	1915904734	IAPXNNNBZNADAV-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)c2sccc2c1	1917337129	QOSKTWQBTHPCII-RWMBFGLXSA-N	243.375	4.502	0	10	BJAE	
CCCCCC[C@@](C)(O)CC(C)(C)CC	1919972875	FHOYXYUDIUBEEB-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@](C)(O)CC1CCCCC1	1921560363	BECBDUXOYOFFIV-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CCCC12CCC2	1921608977	ARZNMTWPFRRAPS-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@H](C)C1CCCC1	1924123648	DQQPDUZJUWHYAR-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@@H]2C=CCCCC2)c1	1925764816	FFWZHCRMOBWZIF-OAHLLOKOSA-N	242.362	4.623	0	10	BJAE	
C1=C[C@H](CNCCCC2CCCCC2)CCCC1	1925902195	OPQWYBHZNKKMPT-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H]1C=CCCCC1	1925919372	CZDSDUBTVMAEME-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](CCC[C@@H]1C=CCCCC1)NCC	1925943798	BFLFJACNIKSWPJ-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CCNC[C@H]1CCCC[C@@H]1CC	1926169477	CRRHKOTXRHTBEC-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
C=CC=CCCCc1ccccc1CCC	1935971845	BOJQNCZNOVVYQD-UHFFFAOYSA-N	214.352	4.704	0	10	BJAE	
Cc1c(Cl)cccc1O[C@H](C)CCC(C)C	1937173980	LNPDFKVTVUJTST-LLVKDONJSA-N	240.774	4.852	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(O)CC1(C)CCCCC1	1940408272	LFOVLVFCISKLHV-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)CC1(C)CCCCC1	1940411234	VJABAQGVQWTJEE-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC1(CCCNc2ccc3sccc3c2)CC1	1940874389	UNRSLLXZWGNGAE-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
CC[C@](C)(CCC[C@@H]1CC1(C)C)CNC(C)C	1940874987	WJFRADHNGXUTET-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1(C)CCCCC1)C1CCC(N)CC1	1940968073	RJTFNJYFLATHCV-WLYUNCDWSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCCCCCC1CC1	1941580647	CBPMDBXGTFGMSK-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCc1cc2cc(C3(C)CC3)ccc2nc1Cl	1944605569	HLEHCDPFHPDDDE-UHFFFAOYSA-N	245.753	4.502	0	10	BJAE	
CCCC[C@H](O)CC1CCC(C(C)(C)C)CC1	1948464818	LTPDDZFZDZZLOO-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC(C[C@H](N)C2(C)CCCCCC2)C1	1949022749	NCJDEWWBIWUABV-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)NC1CC2(CCC(C)CC2)C1	1950545573	OIDNSYVONVBOBQ-KXVRIMHRSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)[C@@H]1CCCC(C)(C)CC1	1950914649	RQXHOOZNNDLEOC-XQLPTFJDSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H]([C@H]1CCC[C@@H](C)CC1)C(C)(C)C	1950929036	DCOISQVXXHFAMW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC)CCC[C@H](C)CC1	1950929861	KOUFWBAJWQPSMF-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
C1CCC(CCNC2C[C@H]3CCCC[C@@H]3C2)CC1	1965889662	ZYLBMZPXNSXCFK-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCCC[C@@H]1CC	1968859100	JXOPXWINRNDOEI-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCOc1cc(N[C@H](C)C(C)(C)CC)ccc1C	1969242035	IKWIZOFJOSGQII-CYBMUJFWSA-N	249.398	4.630	0	10	BJAE	
CC1(C)CCC(Nc2ccc(CCF)cc2)CC1	1970092314	FRXVXIGZGRUNGO-UHFFFAOYSA-N	249.373	4.579	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1CCCCC12CC2	1972741186	BLPUQNZTIPPIRL-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1CC[C@H]2C[C@H]2CC1	1973359367	TXNPNFHSCQSKNH-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CNC1(C2CC2)CCCCC1	1973782593	YKIZUZMFWXMKHH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@](O)(CCC(C)C)[C@@H](C)CCC(C)C	1986944753	SYTUPISJPAAPKU-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](C)CCC=C(C)C	1988794937	OCQSGHWZJUJZQY-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)(CNC(C)C)CC(C)=C(C)C	1989652720	ZSXYIGQAKOHWAR-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
Cc1cc(OCC2CCCC2)c(C)cc1Cl	1989927317	ZEEOEYAUKJPQEU-UHFFFAOYSA-N	238.758	4.526	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cccc(F)c1	1990092496	AKWLMJOGCHFIDQ-CYBMUJFWSA-N	223.335	4.597	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCCC1(C)C	1990093257	JBKKBZYPXVZXJA-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CC(C)C[C@H](N)[C@H]1CCCC2(CCCCC2)C1	1996646551	DUHPDULHLUXRME-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)CN[C@@H](C)CC1=CCCCC1	1998380567	OVBWZSQFYPMROV-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCCC1CC1)CC1(C)CCCCC1	2000324547	UJMUARUZZIEQFW-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@H]1CCC(C)(C)C1	2000506472	BBUJKDMIMVXLOZ-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)c1csc([C@H]2CCC23CCC3)n1	2001867021	WTQQIWBHJVSNME-LLVKDONJSA-N	249.423	4.878	0	10	BJAE	
Clc1ccc(NC[C@H]2[C@H]3CCCCC[C@H]32)cc1	2002205054	JGARUGSFRBJSRW-QDMKHBRRSA-N	249.785	4.578	0	10	BJAE	
CCC(C)(C)C[C@@](C)(O)[C@@H]1CCCC(C)(C)C1	2003007485	QGNWCHYWNTUWMX-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)CC1(C)CCCC1	2003180283	ZCNRWCOZNGIGJX-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2004192854	AYFWLSZGWKVRCZ-SOUVJXGZSA-N	234.383	4.518	0	10	BJAE	
CCC1(CC)CCC(N(C)CC(C)(C)C)CC1	2004362380	CQRZHSSIDJZGGW-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC1(CN[C@H]2CCC2(C)C)CCCCCCC1	2004937343	NOTJAGHYOATBHR-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1(C)CCC2(CC2)CC1	2007682522	ARCNGGCQRIXRSB-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@@H](C)C(C)(C)C)CC1	2007690443	KMRBICMOERCSBW-MYMJJRTCSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CCC=C(C)C)C1(C)CCC(C)CC1	2007699688	YSHPNDBNFRHHES-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(CNCC)CC1CC(CC)C1	2007754274	NDJYYFGWKXUCSE-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](NC)[C@H]1CC	2009233618	DSJHUDQQJATHCX-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@@H](C)CCC)[C@H]1CC	2009247474	BAAPGXQDKLOBLX-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C1CCCCCCC1	2009544436	PNDNOBBHTNERTP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H](C)C1CCCCC1	2009616442	JDHVWRRPCPRVFG-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC(C)(C)C)C1=CCC(C)(C)CC1	2010713316	DCXWIFNYNBRUOI-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)NCCC[C@H]1CC1(C)C	2013271347	RFVAWBUIZYRMCX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](O)c1sc2ccccc2c1C	2014295159	YFPOWPVOEXIOJF-GXFFZTMASA-N	248.391	4.679	0	10	BJAE	
C[C@H](N(C)C1CCCCCC1)C1(C)CCCC1	2014386758	DKEHRKXQYXDKMI-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
CN[C@H](CC(C(C)C)C(C)C)[C@H](C)C(C)(C)C	2015284101	KKGYXTSGSIOFGE-DZGCQCFKSA-N	241.463	4.575	0	10	BJAE	
CC1=C[C@@](O)(CCC(C(C)C)C(C)C)CCC1	2015333226	BYEPNIONGNJOQR-INIZCTEOSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)[C@@H](CCC(C(C)C)C(C)C)NC	2015358651	APPBHBOGWQVBNU-MRXNPFEDSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(N)CCC2(CCCCC2)C1	2015409425	QPWHOOOYJAVAQS-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](O)C[C@H](C)C(C)(C)C)CCC1	2015632947	FJZCZLIGQMAMNX-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)[C@H](C[C@]1(C)C[C@H]1C)NCC	2016385634	GLVDUXXMPZTUDH-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(C[C@@]2(O)CCCCC2(C)C)CCC1	2017112296	LTKXWRAFGZYIJL-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CCNCC1(C(C)(C)C)CCC1	2017136678	MLTYZZSBCIRPKQ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CN1CCCC[C@H]1c1cccs1	2017461243	HLQPZHGRYSNOJS-AWEZNQCLSA-N	249.423	4.631	0	10	BJAE	
CCCC1CCC(C[C@@H](O)CCC2CC2)CC1	2017651738	XWCBXWBEJUWYAX-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@](O)(C[C@H]2CC[C@H](CC)CC2)C1	2017653677	WIBVBKZQSGFJAZ-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)[C@@H](CC1CCC(CC)CC1)NC	2017724890	ZUPUXMHKKWLFHD-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@H](O)CCC(C)(C)C)CC1	2017774795	SUDXCHVAWRUZRR-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)CC2(C)CC2)CC1	2017777163	ZHRLDMSJDZREIG-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1[C@@H](C)CCN[C@H]1C	2017859197	MVZDDQNREWVUHZ-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@](C)(NCC2CCCCCC2)C1	2017917009	APXLKANASQSUAO-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1CCCC[C@@H]1C	2018138899	MBPDQOAVZKUPAN-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC)Nc1c(C)cccc1F	2018140215	ZUZOMAAHWNBMMQ-CYBMUJFWSA-N	237.362	4.905	0	10	BJAE	
CCC1CCC(CN(C)[C@H](C)CC(C)C)CC1	2019295578	NCYXDOIOTZTHSR-QQFBHYJXSA-N	239.447	4.569	0	10	BJAE	
CC(C)C[C@@H](C)N(C)[C@H]1CCCC(C)(C)CC1	2019300887	YANHQMOLTUIXDQ-CABCVRRESA-N	239.447	4.712	0	10	BJAE	
CCC(CC)N(C)C1CC(C)(C)CC(C)(C)C1	2019305832	OIWRIXXUQBYCII-UHFFFAOYSA-N	239.447	4.712	0	10	BJAE	
CCCCC[C@H](CC)N(C)C1CCC(C)CC1	2019315311	LOQNSGLYNNKMSB-PCKAHOCUSA-N	239.447	4.856	0	10	BJAE	
CN(CC(C)(C)C)C1CCC(C(C)(C)C)CC1	2019402997	JDLVYCYSWRJTNI-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@H](CCCCCC2CC2)[C@H]1O	2020403388	QKTPLVREWNRSJX-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)CC1=CCCCC1	2023168896	HCKJVAOBJBSBAB-UHFFFAOYSA-N	248.753	4.722	0	10	BJAE	
CCN[C@H]1[C@H](CCCC(C)(C)C)CCC[C@H]1C	2023990373	BRMZSJFRWGMVDS-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](C=C1CCC1)NCC	2026075831	ZKEGHMPKPBVNCG-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2C[C@H]3CCC[C@H]32)n1	2026526041	BTULJQSGUVUGGI-OIMNJJJWSA-N	249.423	4.635	0	10	BJAE	
Cc1ccc(C(=O)CCC[C@H]2CC2(C)C)cc1F	2027841595	AOOLTLVWKYQBGS-ZDUSSCGKSA-N	248.341	4.533	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1coc2ccccc12	2028231754	HZFROODQQRJPGF-LRDDRELGSA-N	246.350	4.539	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H](CC(C)C)C(C)C	2028255349	PIBRFXOFCDUMEH-INIZCTEOSA-N	246.394	4.750	0	10	BJAE	
CC(C)(C)C[C@](C)(N)c1ccccc1C1CCC1	2028548943	IIZXKTUWXFEQSP-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1cccc(C2CC2)c1	2028551016	BMBHGSCAODQMEE-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CNC[C@@]1([C@H]2C=CCCCCC2)CCCC1(C)C	2032111305	GZKIEDIFWKZFGX-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)[C@H]2CC23CCC3)CC1	2032136425	UKLGQHNRPLYVNJ-JXQTWKCFSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)[C@]1(C)CC1(C)C	2035595749	YNRONDIXCAFTDT-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(CC)c(NC[C@@H]2C=CCCC2)c1	2035597021	FGVMLQSSCCWGNX-OAHLLOKOSA-N	243.394	4.580	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCC1)C(C)(C)C1CCCCC1	2035602218	RGWXEDYBIXQRJT-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)c1ccccc1C1CC1	2037210150	RIZANNWKWWXYRP-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
N[C@@]1([C@H]2CCC3(CCCC3)C2)CCC=CCCC1	2037688011	WDVFNXVDPNUJGU-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@](C)(O)c1ccccc1	2038165256	LSQWAMFGWIHUMT-VYDXJSESSA-N	246.394	4.501	0	10	BJAE	
CCN[C@@H](C1CCC(CC)CC1)C1(C)CC=CC1	2042018306	DEMALWZZEOYPIG-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2CC3CCC2CC3)CC=CCC1	2042090985	HJLZHFOBQYOIOL-BOXZVXIZSA-N	246.394	4.518	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CCCC2)C1CC(C)(C)C1	2043536394	ZQFALPISDAGZKY-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@@H]2CCC3(CCC3)C2)CC1	2043605556	MGQUJSRWSOZENL-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]1NC1CC2(CCC(C)(C)CC2)C1	2043686454	LVXVPHSQAQELKT-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC1CC1)C[C@H]1CCC=CCCC1	2045323084	JOSACZPQZSDKMN-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C=CC=CCC[C@@](CC)(CCCC)CNC1CC1	2045983019	ZCZBXRAXYQPWQG-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CC1(C)C[C@H]1CCNC1CC2(CCCCCC2)C1	2046233193	JQDIXBKQUDUYIF-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@@H]1CC12CCCC2	2047010072	SNFAUDYWGYILIN-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(C2CCCCC2)CCC12CCC2	2047929047	NYNHAWGMIUDAAB-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)NC[C@]1(CCC2CC2)CCC12CCC2	2047944126	WHJHCBRFRSYZGD-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1O[C@@H]1[C@H]2CCCCC[C@H]21	2049193347	YRMLQOVYSIALQK-QLPKVWCKSA-N	244.378	4.597	0	10	BJAE	
C[C@H](NC[C@H]1C=CCCC1)[C@@H]1CCCC(C)(C)C1	2049539535	HPZWFFLBOBNDLT-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C[C@@H](N)C[C@@H]1CCCC2(CC2)C1)C1CC1	2049851272	CXRMUDWCCFTNIE-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CCCC3(CC3)C2)C(=O)C1	2049949312	YCRGVYCEBKTPKL-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H](O)c2cccc(C)c2)C1	2050426053	MIZGQTSICYLVAB-HLLBOEOZSA-N	246.394	4.635	0	10	BJAE	
Cc1cccc(C(=O)CCC2CCC=CCC2)c1	2050458894	QZVRCQYNXWQWTF-UHFFFAOYSA-N	242.362	4.704	0	10	BJAE	
Cc1cccc([C@@H](N)CC2=CCCCCCC2)c1	2050459574	YLFMSGMWEGXCJJ-KRWDZBQOSA-N	243.394	4.666	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC[C@@H]1CC)c1ccco1	2050528782	WWPLIJQAJKGGIZ-SOUVJXGZSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H]1[C@H]2CCCCC[C@H]21	2051401528	MBVUKJLJSYIXGA-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2CCC[C@@H]2F)cc1	2055274261	FKDLQEAEYZQUAQ-JKSUJKDBSA-N	249.373	4.722	0	10	BJAE	
Cc1cccc([C@@H](C)Nc2ccc(CF)cc2)c1	2055673084	ARNILWZJSABQDT-CYBMUJFWSA-N	243.325	4.638	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCC1)C1(C)CCC(C)CC1	2056553132	OVZZMFJFLFCZGP-VUROTCPHSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C(=O)CC1CC(C2CC2)C1)C1CCCC1	2056665819	ISZVKNZIQOPLET-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C/C=C/C[C@@]1(CNC(C)C)CCCCC12CCC2	2057059883	IBKDVSXMJULRAS-BDUNBXCCSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NC)C1CC2(CCCCC2)C1	2059268454	YPQHWSYVIPMSTO-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)C1CCCC1	2061098915	LVPFRKUJVXELND-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@@H]1CCCCC[C@H]1CNC(C)(C)C	2061562543	FNQMIKDLTUNOQH-CVEARBPZSA-N	249.442	4.692	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)CC[C@@]12CCC[C@H]1C2	2061618177	TUMVCJQWDLHXCQ-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C1CC(=C2CC2)C1)C(C)(CC)CC	2061650430	JQJCVBKSHUOEAM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H]1CCCNC1CCC2(CCCC2)CC1	2062602797	KYJOKDYKFAORJF-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063536201	PNAJYALDJTUMFE-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(CC(C(=O)[C@@]3(C)CC=CCC3)C2)C1	2063808828	XXOZMDOMDAQUOZ-INIZCTEOSA-N	246.394	4.518	0	10	BJAE	
CCCCC[C@H](NCC)C1CC2(C1)CC21CCC1	2063999382	KGGULAFDWSPYIC-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1CC2(C1)CC2(C)C	2064002859	QUSFVGYGSOWGAS-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC12CCC(CC1)C2)C1(CC)CCC1	2065311839	BSZRMVLMWNPJJI-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC12CCC(CC1)CC2)c1ccc(N)cc1	2065337629	BMMFGBGQWKQMKW-CBCUQQMYSA-N	243.394	4.733	0	10	BJAE	
CCCCC(C)(C)NCc1cc(C)c(C)cc1C	2066383956	WOJJQCDOSONPIA-UHFFFAOYSA-N	247.426	4.670	0	10	BJAE	
CC(C)C[C@@](O)(C[C@@H](C)C(C)C)c1ccccc1	2068817110	DWIOBVXGCKGXKW-NVXWUHKLSA-N	248.410	4.603	0	10	BJAE	
CCCC1(C[C@@H](NCC)c2coc(C)c2)CCC1	2069344393	KPLCAKWPCCNPCN-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@@H]1CC2CCC1CC2	2070398915	OFZRAOVGECLVIR-VXLLPVPCSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CCC(N)(C[C@@]23CCC[C@H]2C3)CC1	2070969531	AYQPTKUCTVWQJA-YZUHTNEWSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CC2(C(C)C)CCC2)c1	2071957058	WKVPILVOXROSMM-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H]2C[C@H]2C2CC2)CC1	2072881365	IIVDAGMOVGYJQD-SDADXPQNSA-N	248.410	4.598	0	10	BJAE	
CC(C)NCC1(C[C@@]23CCCC[C@@H]2C3)CCCC1	2074030889	WAZKKYXAMFOSKX-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCN2CCC[C@@H]3CCCC[C@@H]32)CC1	2074889721	UKIPJAZJYFEWRU-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)C1CCC2(CC1)CC2	2079844872	WWIONNMHUXJTHP-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H]2C[C@H]2C2CCCC2)C1	2079845577	ZAXCTFVBGSLUII-GJEMEMOUSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@]1(N)CCC12CCCCC2	2079869097	BSBUOKNFTZADHQ-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CCCNC23CCCCC3)C1	2083815509	GLYOFUZTUFPDDN-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)Cc1cccc(C)c1	2086045567	XWTNESYTWJXTJZ-RHSMWYFYSA-N	248.410	4.505	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1(C)CC(C)(C)C1	2211653493	AHHNWCRTLLKOOU-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCCCC(F)F	2212258621	NAZCUJHYMDTOHD-LLVKDONJSA-N	234.330	4.597	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)c1cccs1	2213285781	TYEGOSXOTHPYCL-ITGUQSILSA-N	248.391	4.537	0	10	BJAE	
CCC[C@@H](O)CCC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213297489	ARGWTCJPEDYKGY-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](O)[C@H]1CCCCCCC1CC1	2213579342	DTFAXWBPKRKURP-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCCC(F)F)CCC(C)C	2216449192	KJHUCIZVAYWYPK-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
C[C@H](C1CC1)[C@@H](N)CCCCCCCC1CC1	2216877170	JCNAJLXDJWBRRZ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)C[C@@H]1CC[C@@H](C)C1	2217157109	QJEBHTJPUYDJDI-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@](C)(CCC)CNC1CCC1	2217157446	SOOCNJBBCOKMKR-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1=O	2218335294	UZWZLMLKNWSPMN-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218378713	VEHNMWMHFFJRFL-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C/C=C/c1ccccc1	2219088978	XCIPWHCOIACFAI-ONOODXEBSA-N	244.378	4.875	0	10	BJAE	
CC[C@@H](C)NCC1(CC)CC2(CC3(CCC3)C2)C1	2223591551	CMLBPBWOSBXYMS-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)C[C@H](C)O	2244846483	DCWRGFKQJWTKMO-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@](O)(CC)CC[C@@H]1CCCC12CC2	2247667608	XDYFRIZLVMHIQX-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C[C@@H]1CCCC12CC2	2247667645	XNTWSLUNZBDIJS-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)C1CCC(C)CC1	2250353945	ZFDNUFHZHNMGHQ-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](C)(N)CC1CC2(CC(C)C2)C1	2250449985	SNZBOINAMQKXCB-MYLOQMAZSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCCCC1=O	2250473365	IQNWANNTZYDBJW-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
CC1=CC[C@](CN)(CC[C@H]2CCC[C@H](C)C2)CC1	2253911090	ORXZOJSLUJWCLW-GVDBMIGSSA-N	249.442	4.668	0	10	BJAE	
O[C@@H](CC1=CCCCC1)[C@H]1CCCCC12CCC2	2255091374	JLGVRAGKVYSXEX-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1cccc(C(C)(C)C)c1	2257947709	QWUXEPXJBVXALH-CZUORRHYSA-N	245.410	4.975	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H]2C(C)C)cc(C)c1C	2258235194	GKEUKMNULUVIJA-DLBZAZTESA-N	245.410	4.848	0	10	BJAE	
O=C1CCCC[C@H]1c1cccc(C2CCCC2)c1	2260736337	WGHLVIPEALUDLL-INIZCTEOSA-N	242.362	4.571	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2	2298608111	BREYHCVAJJBAGH-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1cc(F)cc(F)c1	2298841661	JMEJQQFOEWUGJH-LLVKDONJSA-N	241.325	4.592	0	10	BJAE	
CCN[C@H](CCC(CC)CC)CC[C@H]1C[C@H]1C	2300689766	BADGKOSSBIYEAB-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](C(C)(C)C)CCN1	2300702862	ZSKUYJVUYXBHEU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CNC[C@H](C)[C@H](C)CC=C(C)CCCC(C)C	2300883235	BSEZEEGQNUCQBZ-CVEARBPZSA-N	239.447	4.641	0	10	BJAE	
CN[C@@H](CCC=C(C)CCCC(C)C)C(C)C	2300927028	RBACZDCTNRUNJT-INIZCTEOSA-N	239.447	4.783	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC1CCCCCC1	2301146536	ZTVGDEILUHIWTC-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1N[C@@H](CCC2(C)CCCCC2)CC[C@H]1C	2302685814	SESZINZVXXLTPV-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@H]1C(C)(C)C	2303402589	TUWIODVSKXSZBV-RRFJBIMHSA-N	237.431	4.536	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303508874	SSLRIJKUSQBACX-LXTVHRRPSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2ccc(C)cc2)CC1	2303602128	ULEGSDUROAXAQN-HNNXBMFYSA-N	229.367	4.543	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](C)c2cccs2)c1	2304016980	RAYLAOBNVQXVAJ-JTQLQIEISA-N	249.354	4.623	0	10	BJAE	
CC(C)NC[C@H](C)CCC[C@@H]1CCC(C)(C)C1	2304447829	RUEQYAXLAXLGEC-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@H](C)CC(C)(C)C	2307911849	YRAZHWLNIWTOPZ-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CN[C@H]1CCCCC[C@@H]1C[C@@]12CCCC[C@@H]1CC2	2313347491	SIKMJYSWDCTJIR-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C1CC2(CCCCC2)C1	2313625786	AHHZLEAASJZBJY-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCc1cc([C@@H](O)C(C)(C)C(C)(C)C)ccc1C	2314694122	IFJMUWYTGIGCKD-OAHLLOKOSA-N	248.410	4.663	0	10	BJAE	
CC1(C)[C@@H](N)C1(C1CCCCC1)C1CCCCC1	2316416027	MHXNQHKQBWITER-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@@H]1[C@H]2CCCC[C@H]21)CCCC(C)C	2316497629	TXOLWUZWKJETMK-FVQHAEBGSA-N	249.442	4.537	0	10	BJAE	
C[C@H](c1ccccc1)N(C)CC1CCCCCC1	2316874687	SGXHFSMGVRIXDV-OAHLLOKOSA-N	245.410	4.650	0	10	BJAE	
CC[C@@](N)(C[C@@H]1C[C@H]2C=C[C@H]1CCC2)C(C)(C)C	2317119482	SZXBYISCVUMDOD-PNBKFKSVSA-N	249.442	4.523	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@H]1CC(C)(C)[C@@H]1C	2318256415	WHVUJWGEHHTSFV-UICACZKSSA-N	249.442	4.523	0	10	BJAE	
CNC[C@H]1CCCC[C@H]1CCCC1=CCCCC1	2318591856	CMTKJYAFRCLFKJ-DLBZAZTESA-N	249.442	4.683	0	10	BJAE	
CN[C@H]1CCCC[C@@H](CCCC2=CCCCC2)C1	2318592410	ISMAUZOMLTUQNE-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
C1CCCC(CN[C@@H]2CCCC[C@H]3C[C@@H]32)CCC1	2319436944	AMHVFBBGQXKHHZ-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320154941	MBLUOFDZXPZJKJ-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H]2CCC3(CCCC3)C2)CC1	2320407205	YIUBVGBZRRZJPI-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2CCCC23CC3)CC1	2320424907	UPVMWVRHEBIKPW-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)c1cccc(C(C)C)c1	2320568343	ZJIUWBOCQJVVLO-HIFRSBDPSA-N	244.378	4.819	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cccc(N)c2C)c1	2327793839	DUQJQDYUQXFIKW-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
c1cc2c(c3c1CCCC3)CC[C@@H]1CCCC[C@H]21	1704774	DISXLARWFONJQP-HOCLYGCPSA-N	240.390	4.785	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1	21518865	OHQGDQBHDJSAET-XJKSGUPXSA-N	245.410	4.876	0	10	BJAE	
CCCC1CCC(N[C@@H](C)CCC(C)C)CC1	21519191	FIRCURQTVHYEKL-FHERZECASA-N	239.447	4.760	0	10	BJAE	
CSc1cccc(NC2[C@H](C)CCC[C@H]2C)c1	21810651	OUSDGQNXQCYYDM-VXGBXAGGSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)c1ccc(C)c(C)c1	35457133	FPUABWPGBVCZSW-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
CC(C)C[C@@]1(O)CCCC[C@@H]1C1CCCCC1	37375730	JLYGOWCBQAJKGM-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCc1cccc(O[C@H]2CCCC[C@@H]2CC)c1	85150876	XBIACTKGYOMOIV-HOCLYGCPSA-N	232.367	4.597	0	10	BJAE	
C[C@@H]1CCC[C@H](Oc2ccc(C(C)(C)C)cc2)C1	85151247	REVMCVILOMXQRA-CJNGLKHVSA-N	246.394	4.942	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccsc2)cc1C	85528023	QXTIUKMBNLKYDK-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
CCCCCC[C@@]1(N)CCC[C@H](C(C)C)CC1	86940409	TWEQPEHZXMYKQX-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CN(C)c1ccc(-c2cccc3ccccc23)cc1	91352087	VEXNITXCNXSHHK-UHFFFAOYSA-N	247.341	4.573	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1cccc2ccccc12	109742167	PIGNYZWEVABIEL-SUMWQHHRSA-N	241.378	4.666	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCC[C@@H](C)C2)c(C)c1	109899318	SXIAIZKEMPXHTN-ABAIWWIYSA-N	231.383	4.602	0	10	BJAE	
CCc1ccc(-c2nc([C@H](C)CC)cs2)cc1	132228944	LCFBJXAONPUHFA-LLVKDONJSA-N	245.391	4.886	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C1CCCCCCC1	159048696	QTUPJSVMRMRVKG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H]1CC[C@H](C)[C@@H](C)C1	161297843	LLDCIWYMWWFIKL-XJNFMUPTSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCC[C@@H](C)C2)cc1C	222510934	KACNOWDZYKIZFR-VMGRFDJRSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CC[C@@H](CC)[C@@H]1C	225227412	SZTUBEPDOWCGGH-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@@H]1CCC[C@@H]1C	226560604	XEZORPMNQBTYEG-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CCN[C@@H](C1CCCCC1)C1(C)CCCCC1	233575801	DBBCPRHBOCSBSW-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C(C)C)[C@H]1CNc2c(Cl)cccc21	233821214	QWVUJBSLQLIDNV-CMPLNLGQSA-N	237.774	4.531	0	10	BJAE	
CCC[C@@H](CC[C@@H]1C[C@@H](C)C[C@@H](C)C1)NCC	251195647	UJBXUHMQHSMQOR-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CCC2CCCCC2)CC1	302298105	YYNBPOPLTLDFNE-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCc2cc(N)ccc21	302668260	ZZLZQOLPBBHKEE-KGLIPLIRSA-N	245.410	4.905	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@H]1CCC[C@H](C)C1	308055744	OFYFWVTYNGTTPV-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](NCC(C)(C)C1=CCCC1)C1CCCC1	308765367	CCSHUNBOGNHFDN-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C/C=C\[C@H](C)c1ccccc1NC(C)(C)C	309057265	ZWVYOHFENZOJSB-PWWFUAJNSA-N	217.356	4.577	0	10	BJAE	
CCN[C@H](CCCCC1CCCCC1)C1CC1	310064632	OVUUWODCXKASCN-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1cccc(C2CC2)c1	310577426	GSMBIZVSTPRAOY-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@@H](CC)c1cccc(C2=CCCC2)c1	310630245	MWSFIIVPTCYJPD-KRWDZBQOSA-N	243.394	4.705	0	10	BJAE	
CCCNCC1(C2CCC2)CCCCCCC1	317334244	AHFRQFLIMPSLGY-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCNC[C@@]1(C(CC)CC)CCC[C@@H](C)C1	317438397	XMVRSMBGEHJZGO-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](CNC(C)(C)C)CC(C)C	319433245	QFBADVDEEOBMTA-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1ccc(C(C)C)cc1	319483933	GJCQAFUROAVEDS-HEHGZKQESA-N	234.383	4.526	0	10	BJAE	
Cc1cccc([C@@H](CO)CCCCCC(C)C)c1	383602558	ZVBUYDCBQOQYNY-QGZVFWFLSA-N	248.410	4.677	0	10	BJAE	
CCCN[C@H](CC)CCC[C@H]1CCC[C@H](C)C1	383647165	GTCLHBUZUKOHON-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
Cc1c(-c2ccc(C=O)cc2)ccc2ccccc12	384716756	NELIGPHDXJSWRO-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
C[C@@H](CC(C)(C)C)NCC[C@H]1CCC[C@@H](C)C1	385225360	SZGFLUBUQHTVQF-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](CC1(C)CCCC1)NC	390463789	DSFLRJGYRJLPHP-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C(C)(C)C(C)(C)C	390796288	RURJRVZELVOMME-LBPRGKRZSA-N	227.436	4.602	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1ccccc1C(C)C	393857325	VUCHHKACCDZZJC-CJNGLKHVSA-N	233.399	4.507	0	10	BJAE	
CCCC[C@](C)(O)CCCCCC(C)C	394527468	GTIIHZDLYMFFGH-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
CC[C@H](CC1CC1)NCC1(C)CCCCCC1	394604335	OTMKJGIIFXOXDK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc([C@H](O)C2(C)CCCCCC2)c(C)c1	394660629	KMQCOHSYJFOKIB-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CCCNC/C(=C\C1(C)CCCCCC1)CC	394676489	SXINPDOOYPRSHE-SQFISAMPSA-N	237.431	4.683	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1CCCC12CCC2	394756060	BDFDFBDPXQXAIF-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCc1c(C)c(C(F)F)cc2ccsc12	396254574	UGIRFDBCIYZLJA-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
C[C@@H]([C@@H](N)c1ccccc1C1CCC1)C(C)(C)C	399079134	RKUNZLQDNNXGLW-BLLLJJGKSA-N	245.410	4.636	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H](C)C(C)(C)C)cc1	399304863	KDITUTRBAXWSHC-GFCCVEGCSA-N	232.367	4.675	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H]1CCCCC1(C)C	401035560	OIXSZADQLMMLKO-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CC=CCC1)CC(C)(C)C	402113318	BVKBBHKPYPIHFC-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CC2	402212142	NKFZPWYDVUFCND-XUWVNRHRSA-N	248.410	4.764	0	10	BJAE	
CCCN[C@H](CC(C)C)c1cccc(C(C)C)c1	688951337	XJSMTAVVRDWNPW-QGZVFWFLSA-N	247.426	4.897	0	10	BJAE	
CC(C)CC(=O)[C@H]1CCCC[C@H]1c1ccccc1	695074468	OZOSQIXAOJQEIG-HOTGVXAUSA-N	244.378	4.576	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)CC1CCCCCC1	696548864	CXFPEEJMPKRRCK-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)CCC1(CNC(C)C)CC=CC1	696739348	ZLSMOQMENCRFBT-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1CCCCCC1	697759632	QWSQLOVZRWEOLD-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CC[C@H](C)C1	697759655	RRKMDUOJDWVILA-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@@]1(CCC=C(C)C)C[C@H]2CC[C@H]1C2	698040109	JBCIZDIDMVRSHH-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCCc1ccccc1OC[C@@H](C)CC(C)C	699489187	IMJOMEJGQXCAEA-AWEZNQCLSA-N	234.383	4.700	0	10	BJAE	
CCC(F)(F)C(C)(C)CCC1CC=CC1	700883393	RCIHHXLTQRRAPU-UHFFFAOYSA-N	216.315	4.804	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CCC12CCCCC2	703753008	PJYNSMMMKLISFM-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)c1ccsc1Cl	704567663	KDGCTUITXAGTEC-WCBMZHEXSA-N	246.803	4.507	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCC=C(C)C)NC	704908569	XCDIBKPMDJBBCM-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CCC(C)(C)C	704952377	QUBZVBTWEHLYPE-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C(C)C)C2CC2)cc1	705335450	PNFSMNRUBIVQMI-INIZCTEOSA-N	231.383	4.657	0	10	BJAE	
CC[C@@](N)(C[C@H](C)C1CCCCC1)C1CCC1	705349829	IUISPSPSTOBIQW-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](c1coc(C)c1)C1(C)CCCCC1	706271618	ALKZMXJSUFOMJJ-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC[C@H](C[C@@H](CC1(C)CCC1)NC)C(C)(C)C	711093992	LGWKMSBZXNVNJG-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@H]1CCCC1(F)F	713962073	UCLPTDZVBVDTFV-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
C1CCCC(CN[C@@H]2CC[C@@H]3CCCC[C@@H]32)CC1	714313879	DMKYACXXOMYRDJ-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)c1ccc(C2CC2)s1)C1CCC1	716574512	ACOMCPFVNWBMIM-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCCNCC1(C[C@@H](C)CC)CCC=CCC1	718133254	HCXJMXNCRROHSQ-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@H](C)CC(C)(C)C	718498365	WWBWTIRFCIFGGF-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1C[C@H]2CC[C@H]1C2	718531925	YHHPGIFSCSIMFB-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(C[C@@]2(CN)CCC=CCCC2)CC1	718979410	OLHPMTVKOSPEJS-OFLPRAFFSA-N	249.442	4.668	0	10	BJAE	
CC(C)(C)CC[C@@]1(O)CCCCCC1(C)C	719260544	MWDPUOGYDJHFAK-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
C=C/C=C/CCC[C@H](C)COCc1ccccc1	719590845	FYXGRRHTQAUWQV-APHBUQMISA-N	244.378	4.752	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H](C)CC(C)C	720938910	BKTBCVAZTONBBG-GDBMZVCRSA-N	239.447	4.760	0	10	BJAE	
Cc1cc(C)cc(-c2ccc3ccoc3c2)c1	725410621	CLCHNHFINQXCHG-UHFFFAOYSA-N	222.287	4.717	0	10	BJAE	
CCC[C@H](CC)SCCc1ccccc1F	1307338743	HWXKEFZEDFSHHX-ZDUSSCGKSA-N	240.387	4.680	0	10	BJAE	
CCCCN(CCCC)C[C@H](C)c1ccccc1	1657218782	CEOVFUIKEYJRSQ-INIZCTEOSA-N	247.426	4.692	0	10	BJAE	
CCNCC(=CC1CCCCC1)C1CCCCC1	1877095380	IHOVUMUTLIUDOX-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
Cc1cc(Cl)ccc1-c1ccsc1C	1889518116	IZIWNEJVDKDKOD-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CCC(C)=CCC[C@](C)(F)C(C)(C)F	1893752648	DNMBKJXKWHGRJX-LBPRGKRZSA-N	204.304	4.599	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@@H](C)CC(C)C	1900580970	ROSFFDDVUNTCJY-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
CCC(CC)CC[C@H](N)C1(C)CCCCC1	1900693269	MHAKMFVMWFWWDI-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](N)CCC=C(C)CCCC(C)C	1900867957	CUDKFXKDKQLBRA-HNNXBMFYSA-N	225.420	4.667	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C1(C(C)(C)C)CCC1	1910810212	WGOIVUDQSWPOBY-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC=C[C@@H](NCCC)c1ccc2sccc2c1	1912046442	SUZXMMLIPGGJJE-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H]1CCCCCCCCC1=O	1913380617	MLUHDLFBXKYLFJ-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CCCC=CCN[C@@H](C)c1ccc(C(C)C)cc1	1914681812	ISIQDVVYYIHYAQ-HNNXBMFYSA-N	245.410	4.817	0	10	BJAE	
CN[C@@H]1C[C@H](C)CC[C@@H]1CCCCCC(C)C	1916009205	GHIJTKJAVDUFCN-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](O)(CC)C[C@H](C)CC	1919945181	VNTCMGQUABNLRZ-ZIAGYGMSSA-N	214.393	4.534	0	10	BJAE	
CC[C@H](C)C[C@](C)(N)c1ccc(C(C)(C)C)cc1	1920461220	MDGQFFLICZIZJQ-GUYCJALGSA-N	247.426	4.594	0	10	BJAE	
CCCCC[C@@]1(CNC2CC2)CCCC12CCC2	1921611245	SCEHCAALZDBIAA-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@@H](CC)Cn1ccnc1C1CCCC1	1923587187	MZEDXYGCLFYAMA-CQSZACIVSA-N	248.414	4.757	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)CC1(C)CCCC1	1924123908	GMOYVRFCFXZRRA-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC(CC)CC)CC1CC(C)C1	1925121530	ZYAWPCRYHCYLBM-AVVWSFFYSA-N	239.447	4.617	0	10	BJAE	
OC1(C[C@H]2C=CCCCC2)CC2(CCCCC2)C1	1925916591	HMZWINXAWITVGD-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CCNC[C@@H]1CCC[C@@H](CC)C1	1926172782	DNZLCTRJCUQQJK-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC[C@@H]2C=CCC2)C1	1932596360	RZWUDRZMJTVLDJ-BARDWOONSA-N	206.373	4.805	0	10	BJAE	
CCCCCCC(=O)C1(C)C(C)(C)C1(C)C	1935541783	RGUVBDRNDLKZLC-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](NCCC)[C@H](C)CCC(C)C	1937160978	BCHXGSKQYKADJH-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCCC[C@H]1CC1(C)C	1940885483	ZIQQZEMHONAYQP-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CCC1=CCCCC1	1941267947	YQDNXVLECLFHJR-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)C[C@@H](C)C1CCCCC1	1941268618	HWMQDZXKQMGHSH-FVQBIDKESA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(CCCCCC2CC2)C1	1941592315	SRLJLNJTCXCZJI-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
O=C(c1sccc1C1CC1)C1CCCCCC1	1942497254	JGMQBQVHHQEYBQ-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CCC[C@@H](C)CCNc1snc2ccccc12	1942818814	LVUOLTMPKBQWLA-LLVKDONJSA-N	248.395	4.535	0	10	BJAE	
CCCCCC[C@@]1(CNCCC)CC12CCC2	1944500181	MRZGKPSGTDEHQS-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C(C)(C)C(C)C	1944660050	FCDFRUVYHXYAFU-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)C(C)(C)C1CCCCC1	1944661383	SEZBVRPVBDDPQN-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)NC1(C2CCCC2)CCC1	1945294802	ZDFJMAJDMKYCAN-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC[C@H]2C(C)C)c1	1947460385	GDDXWCOCXWOKPI-LSDHHAIUSA-N	231.383	4.540	0	10	BJAE	
CC1(C)CC[C@H]([C@@](C)(N)CC2CCCCC2)C1	1949436663	XTGABIUSQXHWLV-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@H](N)[C@H]1CCC2(CCCC2)C1	1949450806	FSFKNMVBPLTRHC-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCC(C)(C)CC1)C1CC1	1950917788	HGKXQYLQVDEPMQ-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC(C)C)C1(CC)CCC1	1951235754	YQVNHDRBVXYJIB-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1c(N)ccc(-c2cccc3ccccc23)c1C	1964648241	FNGVOBZCJGSLOF-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CCN(Cc1ccc(C(C)C)cc1)[C@H](C)C(C)C	1969069805	VDJRYVYNCGHXQT-OAHLLOKOSA-N	247.426	4.676	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC1CC(C)(C)C(C)(C)C1	1969919988	ZJBQITZYNNCRPD-QWHCGFSZSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)C[C@H](C)C(F)F	1971390310	VLGUHHZLXOYURS-XQQFMLRXSA-N	249.389	4.615	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cc(C)sc1C	1978420258	FCBSEELFOOABKS-UHFFFAOYSA-N	236.380	4.684	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1CC(CC)C1	1983350344	SAYGSMVWRUNNCP-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CCCCCC1CC(O)(CCC(C)(C)C)C1	1984692138	KGRWQPJWZXIKJQ-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1sc(C)cc1C	1985609056	JIIYPPAXCRRGFQ-ZDUSSCGKSA-N	239.428	4.581	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(N)C1(C)CCCC1	1987597584	AIHRXFWWJPVZCD-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@H](C)C(C)C	1988309574	MCZJQWHULDTVHG-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1(CC)CCC1	1988426207	WHGOLHRRRPOEEY-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(Cl)cn1	1990048327	FENWPZZPRDDTMP-LBPRGKRZSA-N	240.778	4.506	0	10	BJAE	
CC(C)Cc1csc([C@H]2CCCC[C@H]2C)n1	1995463426	JTQSGXGTZTWROI-YPMHNXCESA-N	237.412	4.635	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@](C)(N)C1(C)CCCCC1	1995988819	QNBIEKFJYBBXTL-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CC[C@H](C)C1)NCC	1996248687	XPCAOHLBKDYNQO-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCC12CCCCC2	1996616453	MKAINKUEWRGQKO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC)CC[C@H]1CCC=CCCC1	1999997024	UYXVPHXMUDILGO-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H](C)CCC(C)C	2000317328	WBYZFSSLSKAYIH-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@H]1CC12CCCC2	2001270491	CWJUXESYPDEYPC-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC([C@@](C)(O)[C@H](C)CCC)CC1	2002924466	IPJLCCSAHGYFKF-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CCCC(C)(C)C2)CCC1	2002994401	TUXFJDHISLEYOL-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H]2CCCCCCCC2=O)C1	2003070305	KVNCAFIGCZASPS-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CCCCCC1CCC(CNCCCC)CC1	2003109881	ZCDRLFXOGKGEDB-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC[C@@](O)(CC=C(C)C)C1CCC(C)(C)CC1	2004226048	GFLIJFCOVRLMBQ-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCCC12CC2	2005545673	MOKJKDOCPJBDKO-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CC=CC[C@@]1(CNCCC)CCCCC1(C)C	2005588193	CEVPCMGVZUEKRN-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](C)C[C@]1(CN)CCCCC12CCC2	2005600845	JWTXQLNFEQBCII-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC(CC)CC)CC[C@H]1C	2006957466	MWWNGMXDAMEUNZ-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(CF)cc1	2007023453	DGAVOEZMQIWOFZ-CYBMUJFWSA-N	237.362	4.927	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@@H](C)CC[C@H]1N	2009419084	HOQMSWQPAALPHT-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@@H](C)CC[C@@H]1O	2009419551	JVGDMNWEPKAJEQ-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CCC2(C)CC2)CC1	2009550865	CFCQHZRYKARWTL-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCCCC1CC(NCCC(C)=C(C)C)C1	2009782432	BCLBHIBLCXNDLT-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(N)(C=C2CCCCC2)C1	2009787630	QSVZYEKMHFRWOF-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCCCCC[C@@H](N)C1=CC[C@@H](C(C)C)CC1	2010763223	KVPQPRJRCVVZDW-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCC[C@H]1C[C@H]1C	2011561118	JJONFHXBVOAORX-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@H]1C)C(CC)CC	2011584992	XNACMDJOTJBHLX-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(=O)C1(C)CCCCCCC1	2016418189	LXWRUYCJQPZHEG-BBRMVZONSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)C1(CC(=O)C2CCCCC2)CCC1	2017126308	YYBYAUFZZRRZIB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CC(=O)C1(C(C)(C)C)CCC1)C1CCC1	2017131476	QHVBWTGFEMLBJS-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC1(C(C)C)CCC1	2017141062	MKOUCRFCAYPOIG-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(CC[C@H](O)C2CCCC2)CC1	2017713680	BBASRMSSJXRYJF-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)C[C@H]1CC[C@H](C)CC1	2017725429	RTBNEHCSFQSYEW-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@H]2CC[C@@H](C)C(=O)C2)CC1	2017773691	DRWAECSTDMZNCO-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@](O)(CC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2018133004	ZAJODEIXUYKFJQ-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC1CC(CC)C1	2019189188	HTYNQNSMBJSOJP-FHERZECASA-N	239.447	4.571	0	10	BJAE	
CC[C@](O)(CC1=CCCC1)CC1CCCCC1	2019775393	AXPPOVKGMKKCQV-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C(C)C)C(F)F)c1	2021005614	MMQYHNCWHLGTBN-ZDUSSCGKSA-N	241.325	4.512	0	10	BJAE	
CC(F)(F)CCCC(=O)CCC[C@H]1CC1(C)C	2023303851	ICCOFUIFIJLJRG-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CN[C@H](CC=C(C)C)CC1CCC(C)(C)CC1	2023327184	JKSZRQVYBWQPBG-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)C[C@H]1CCCC(C)(C)C1	2024101848	NSFGJUDPSMVGLD-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)CC(C)(C)C1(C)C	2025004115	ONZGLQOOEZWFCY-WBMJQRKESA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CCC1(F)CCC1)NCCC	2025278775	AYNRUJZMFAYBJO-CQSZACIVSA-N	243.410	4.607	0	10	BJAE	
CCC1CC(CCN[C@H](CC)C[C@H](C)CC)C1	2025375435	WUOLKJHUVCTUIQ-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H](CC[C@H](C)CCCC)NC	2026170240	OFBSOLJMCXZPQJ-KJKYUDHTSA-N	239.447	4.927	0	10	BJAE	
CC[C@@H](C)Cc1csc(C2(C3CCC3)CC2)n1	2026529990	WGUZOKVMLZWWRQ-LLVKDONJSA-N	249.423	4.563	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)c1cccc(C)c1C	2027732561	OXSUXKRZHGZTBQ-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCc1ccccc1C(=O)CCC[C@@H]1CC1(C)C	2027843738	STOYWFKHYADLCQ-CQSZACIVSA-N	244.378	4.648	0	10	BJAE	
Cc1ccc(C)c(C(=O)CCC[C@@H]2CC2(C)C)c1	2027844157	XJQFJULEBDYCPQ-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
CC(C)C[C@@]1(C)Nc2cc(C(C)(C)C)ccc2O1	2027875777	RJAULNCJEAQWHW-INIZCTEOSA-N	247.382	4.551	0	10	BJAE	
C[C@H]1CC=CC[C@]1(CNC(C)(C)C)C1CCCC1	2027924624	WOLVPNFZAQDCFW-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]21	2028785036	ADLVANCKKJFZOA-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@@H]1C[C@@H]1CC	2028868954	BEKUXBKFYNXNST-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H]1CC[C@@](C)(CC2CCC=CCC2)C1	2028871361	ZPXLUIQKOGPFJG-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2CC[C@H]3C[C@H]3CC2)CCCCC1	2028964572	LKDCWNANMNTIRR-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NC[C@]1(CC2CCCC2)CC12CCC2	2032132065	NMEPZQNCDCPWFS-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)c1	2034264609	RFAVFXQNXBIYHX-HYVNUMGLSA-N	243.394	4.684	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCC12CCCCC2	2035421404	GRRBZTMMZLPIHM-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
Cc1cc(C)c2c(c1)N[C@](C)([C@@H](C)CC(C)C)O2	2036375655	QSXAKJVTADPDGG-BBRMVZONSA-N	247.382	4.506	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C1=CCCCCCC1	2037074494	QCCYWRQYEYDANS-NVXWUHKLSA-N	249.442	4.955	0	10	BJAE	
CCCC1([C@@H](N)c2ccc(C(C)C)cc2)CCC1	2037087516	XKVIWXGAMBOBGI-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@]1(N)CCC1=CCCCC1	2037174264	FATYWGTWQWVNBX-UAGQMJEPSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@]1([C@H]2CCC3(CCCC3)C2)CCCN1	2037591183	IHTIPHMRPKOUQQ-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCNCCC2CC3(CCC3)C2)CC1	2038104459	ZUAYRWABDLMYAN-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1CC([C@H](C)NC2CCC3(CCCC3)CC2)C1	2043530560	JPTBXDHINAPHJM-SLTAFYQDSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1C[C@H]1NC1CCC2(CCCCC2)CC1	2045670156	DTFBFTFCBSETQX-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C[C@@H]2CCC23CCC3)C1	2047935117	HABRWCXZZOQTAN-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)(CCC1CCC2(CCCN2)CC1)C1CC1	2048952204	FCVVVPRVCSPOKB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@]2(C)C=CCCC2)cc1	2049998586	WOFUGKFXUFWHSY-IAGOWNOFSA-N	243.394	4.556	0	10	BJAE	
C1CCCCC(NCC2(C3CCC3)CC2)CCC1	2051918893	UGYGLBUQYTYQLA-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)[C@H]1CCCCC12CCC2	2053412270	OHPFYUQHRZURGT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@H]([C@@H]2CCC3(CCCC3)C2)C1	2055038883	LEKHPPFYMMSSQN-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@H](NC[C@H]2CCC=CCCC2)CCC1	2055552806	SNOCJOTVEAXSOM-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCC1CCC(C2(CN)CCC3(CC3)CC2)CC1	2056523709	QLAUIZRYXSEMKJ-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC(C)C1CC(C[C@@]2(N)CCC3(CCCC3)C2)C1	2056634392	BECKSDOKTDSUPL-DQPZFDDXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC2CC(C3CCC3)C2)C(=O)C1	2056666008	LDFRGUJLMFMRBP-HNFVBEJKSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)CCC1(C)CC1	2056872249	BAVDZWFAZSEJCA-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC(C)[C@]12CC[C@@](N)(CCC3CCCCC3)[C@H]1C2	2058568288	CBLRPRUDBUHGAH-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](N)c1ccc2ccccc2c1	2059207436	NKPPEDVOJRIZKB-YATRRXNKSA-N	239.362	4.586	0	10	BJAE	
CC=CCCC[C@H](O)c1ccccc1C(C)(C)C	2059223645	PVQAAOVQVIEQTE-INIZCTEOSA-N	246.394	4.764	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1cc(F)ccc1C	2059249525	IKUQQZVQEYIZQH-NBUZRDOWSA-N	249.373	4.531	0	10	BJAE	
CCCCCC1CC(N[C@H]2C=CCCCCC2)C1	2059486515	JLWVNEXNZFZLDI-CGZBRXJRSA-N	249.442	4.824	0	10	BJAE	
CC(C)c1ccc(NCC[C@@]23CCC[C@@H]2C3)cc1	2061573059	VMVFCJPUEVNAKH-NVXWUHKLSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC)CC1CC(=C2CCC2)C1	2061736354	FVGMDANDDODICT-DZGCQCFKSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC([C@]2(N)CCCCCC23CC3)C[C@H](C)C1	2062021919	ZAFFBNYAXBNHIX-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC=CCCCN[C@H](C)c1cc(C)c(C)cc1C	2062372344	QMGLAHSGJLEFNP-MRXNPFEDSA-N	245.410	4.619	0	10	BJAE	
O=C(CC1CCCCC1)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063536909	XBADMXCANWPYRC-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](NCC23CCCC2CCC3)C1	2063903468	UIOWXKBAUMXIRY-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC23CCC(CC2)CC3)C1	2065263094	UDNFQWGYLNVUPK-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC23CCC(CC2)CC3)C[C@H]1C	2065339364	LRIPZZQCRYXXOC-AXRJEEMOSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)C2CCCCC2)n1	2066355047	UQNQMTAOYNPYRN-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
CCNC[C@@]1(CCC2=CCCCC2)CCC1(C)C	2068243784	LXKJRXFVFBBMNB-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CN[C@H](CC(C(C)C)C(C)C)c1ccc(C)cc1	2068819657	OFOUBXZDRSDXSD-QGZVFWFLSA-N	247.426	4.574	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CC(C)=C[C@H](C)C2)CCC1	2069268917	XQUWVEJLNNTSQI-DZGCQCFKSA-N	248.410	4.908	0	10	BJAE	
O=C(CCCCCC1CC1)C1(CC2CC2)CCC1	2069499456	FXIZXULYCMILHL-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCC(C)(C)CC(=O)C1CC(c2ccccc2)C1	2071414019	FAKLYUUQYJACDP-UHFFFAOYSA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)C1(CC(=O)c2ccccc2F)CCC1	2071919341	IKARPXNGUCAEHO-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CC(C)C1(C[C@@H]2C[C@@H]3CCCC[C@H]3C2=O)CCC1	2071926587	QYJJZZNTBDAOMM-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(CNC[C@]2(C)C=CCCC2)CCC1	2071944331	WBVYOBMASXFRCN-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@H](Nc1ccc2ccccc2c1)C(F)F	2071997366	OCGUTZBXTIEUTF-AWEZNQCLSA-N	249.304	4.541	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC1CC2(C1)CC21CC1	2072237779	ZVJTURXZBPYSTF-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)C2(C)CC=CC2)CC1	2072797060	VUADNXDLBYDAII-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@]2(C)C=CCCC2)CC1	2072801915	RYFAYRSXQASDCY-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(CC(N)(C2CC2)C2CC2)CC1	2072802459	XTMNHUBESLIGEU-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@]12CCCC[C@@H]1C2)[C@H]1CC1(C)C	2074034705	SGUQPZQBYITRII-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@]12CCCC[C@H]1C2)C1CCCCCCC1	2074092507	XWKDXHWAFRZOBX-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CCN(C[C@H]1CC[C@H](C)CC1)c1ccccc1C	2075292861	HVENJEAQXPAOBS-KOMQPUFPSA-N	245.410	4.648	0	10	BJAE	
CCCCN(C[C@H]1CCCC2(CC2)C1)C1CCC1	2076743282	HUJKJYZGQARWAT-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCCCc1ccc(-c2cc(C)cc(N)c2)o1	2077974759	CEPRZJJRPGESRQ-UHFFFAOYSA-N	243.350	4.570	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2C[C@H]2C2CCCC2)CCC1	2079837984	DVBNVILMZZUEFD-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CNCC1(CC=C2CCC2)CCC(C(C)C)CC1	2081683611	KYEAYRKEEANWGH-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCc1cc(C)cc(C)c1C	2082906291	VDJIBLKXXSXHAD-WFASDCNBSA-N	247.426	4.526	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NC)c1ccc(C)cc1	2086049594	FOGACNJQVCIKLG-PBHICJAKSA-N	247.426	4.862	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)C)[C@@H](C)CC(C)C	2217123927	CJHUMTXBHQXVRF-JYJNAYRXSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)CC(F)(F)CC	2217127277	GZYYUYWUUNZPKE-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCCC[C@]1(CN[C@H](C)CC)CCC1(C)C	2217140877	RRQJJIKUQSNHDS-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCCC1(CN[C@@H](C)CC)CC(C)(CC)C1	2217142478	WQEHFHHSYPTGEK-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1C[C@@H]2CC[C@@H]2C1	2217274181	JNVZHWANYLSPMP-DABQJJPHSA-N	249.785	4.503	0	10	BJAE	
CC1=CC[C@H](CNC[C@H]2CCCC(C)(C)C2)CC1	2221631722	OEAUXBZDTKLGSM-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CCC[C@H]2C[C@@H]21	2223107176	DPCQCRLMCJFKCN-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC(=O)CC[C@H]1CCC[C@H](C)C1	2242760347	ATNZAPFEMBFBQK-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
Cc1cccc(CCC2=CCCCC2)c1C	2243250336	TZTMYQROFPJWTJ-UHFFFAOYSA-N	214.352	4.736	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](O)C(C)(C)C	2244839792	BFPFFKWKXFXYEJ-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
CC(C)(C)[C@H](N)CCC[C@H]1CCCCC12CC2	2246623990	AMHBEKJJKCORBM-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCNCCC=C(C)CC[C@H]1CCC[C@H](C)C1	2246700106	QXFNCFIAYNTBRS-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC1CC2(C1)CC(C/C=C/c1ccccc1)C2	2247070351	LYXVDEZEPVVWJY-VMPITWQZSA-N	226.363	4.916	0	10	BJAE	
CCSc1cccc(NC2CCC=CCC2)c1	2249286480	WYFIIOFFYAHEAE-UHFFFAOYSA-N	247.407	4.709	0	10	BJAE	
CCC[C@@H](CC)CNCC(C)(C(C)C)C(C)C	2250389727	LTKCAMIXBOIJPU-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)CC(C)(C)C	2250468567	FIMOYRZWZUEFLR-HUUCEWRRSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN1CC[C@@H]1C(C)C	2250474175	LJLFDCCKITVTLD-HZPDHXFCSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNCCC1CCC1	2250487562	CAKIGFGCTLMLQF-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@]1(CN)CC[C@@H]1CCCCC12CC2	2253853421	LKMZUNXLHFZQPL-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)CC[C@H]1CCCCC12CC2	2253855331	MXBGUNZEJNPOOK-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@]1(CN)CC1CC2(CCCC2)C1	2254057191	AJUNBIKNUICPIO-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CC2=CCCCC2)CC1	2255047658	CSPYEADVAJEGPB-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H](NCC[C@H]2CCCC23CC3)C1	2255220893	BLYYUVDWQKBJCD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)C[C@H]2CCCC23CC3)CC1	2255228284	RYXFOJWHSUGVFP-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(F)cc1NCC[C@H]1CCCC12CC2	2255333556	SOHZDYCGFJRMMW-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
C[C@H](NCC1CCCCCCC1)[C@H]1CC12CCC2	2256447312	ZUISPHVTDVRJLR-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(NC[C@@H]2CC23CCCC3)cc(C)c1C	2258246732	MSHWXIQKOPKZEI-HNNXBMFYSA-N	243.394	4.604	0	10	BJAE	
CCC1CCC(C(=O)C[C@]23CCC[C@H]2CC3)CC1	2260573647	IZPMKSBGJMUZKD-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
CC(C)(CC(=O)C[C@]12CCCC[C@@H]1CC2)C1CC1	2260582089	HSXVZPWPDAKQDB-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CC[C@@H]2C[C@@H]2C)CC1	2298125645	QKGYSQUASCRCMY-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC[C@@H]1C[C@@H]1C)NCC	2298128623	MGZXOQCXRRBXFP-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@@H]1CCCC[C@H]1C	2300681408	ORBFWCQLTKRIJY-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1CCCCC1	2300871317	DUPFWWIVZXCUJD-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CC[C@H](N)c1ccc2sccc2c1	2300873302	YMKSYRSJUKSZPE-AWEZNQCLSA-N	245.391	4.648	0	10	BJAE	
CCC(C)=CCC1(N)CCC(CC)(CC)CC1	2300897565	UTAUIKPSKATQLQ-UHFFFAOYSA-N	237.431	4.811	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1C(=O)C1(C)CCCCCCC1	2301257425	ACXNOOZNXWKPRB-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H](C)[C@H](C)C(C)C	2301838935	GCGSDCPZBPIKBD-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N[C@]1(C)CCCCC1(C)C	2301962666	VLSXFWXUOBQOGH-OFQRWUPVSA-N	239.447	4.616	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@H]2CCCC23CC3)n1	2302262667	NYMXMSQWAVGJKG-GHMZBOCLSA-N	247.407	4.704	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CCCC1=CCCCC1	2302348089	ZEMXFLHYZGCFBW-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CN[C@H](CCCCC1CC1)CCC(C)=C(C)C	2302570164	UVFFHOCJFKWGTH-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@@H](C)CC(C)C)CC1	2303574650	BHGPJSGARVEDLE-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
CC1=C(C)C[C@@H](CCC2(O)CCCCC2)CC1	2303585329	WZAAQMJWEDLFDL-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2304433260	AEVZAOPDBOMYSM-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1cc(C)cc(C)c1	2307879485	RLZFAVGCYXXCRE-ZBFHGGJFSA-N	234.383	4.553	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)CC1CC2(CCC2)C1	2307906052	BKABPWKJRYASMI-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1CC[C@@H]2C[C@@H]2C1	2308132765	GERUKZZVDHKPKJ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(N[C@H]2C[C@@H]3CC[C@H]2C3)cc1	2308574366	MLOPDIVLFLUONH-VYDXJSESSA-N	243.394	4.630	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)[C@@H]1C[C@H]1C1CCCCCC1	2311525517	VEFCTEFWTALWEX-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)CCC[C@@H]2C[C@@H]21	2312599219	DPCQCRLMCJFKCN-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2CCCCCCCC1CC1	2312600572	BZBIVKGYZIHTKM-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H]1C[C@@H]2CC[C@H]1C2	2312899066	IIVCULOTYVZEHI-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1ccc2occc2c1	2316241801	XLNOBMFNBPDWLR-OAHLLOKOSA-N	246.350	4.683	0	10	BJAE	
CCC(CC)CC[C@H](N)c1ccc([C@@H]2C[C@@H]2C)o1	2316247680	HILVPORQYPJBNQ-YUTCNCBUSA-N	249.398	4.619	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cccc2ccoc12	2316249282	YHZMGSRVRUXVBH-HNNXBMFYSA-N	245.366	4.649	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1CC[C@@H]2C[C@H]2CC1	2316502705	MBWKVROHLDZXLW-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C(C1CC1)C1CC1	2316511467	SSRUHJXEBIAHMF-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC(=CCC1=C[C@@H](N)CCCC1)CCCC(C)C	2316517395	TXXINUKATMXREA-KRWDZBQOSA-N	249.442	4.977	0	10	BJAE	
CCNC[C@H](CCC=C(C)CC)c1ccccc1	2316531863	JXIFXSMRLFRATP-KRWDZBQOSA-N	245.410	4.516	0	10	BJAE	
CC(=CC[C@@H](N)[C@@]12CCC[C@H]1C2)CCCC(C)C	2316559127	DWUWMHUTCNOCKN-GVDBMIGSSA-N	249.442	4.667	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CC2CCCCCC2)C1	2317006681	HQUYBHYHGSQVOZ-CJNGLKHVSA-N	248.410	4.908	0	10	BJAE	
CC(=CC=C[C@@H]1CCCC[C@@H]1N)CCCC(C)C	2319205556	XGVCYSSPGZJISL-IRXDYDNUSA-N	249.442	4.833	0	10	BJAE	
Cc1ccc(OC[C@@H]2CC[C@H]2C(C)(C)C)cc1C	2320256145	QBQZMADQZHWPHC-GOEBONIOSA-N	246.394	4.755	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(N)CCC=CCCC1	2320321248	XKHWSTSGTBOBCF-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@H]2CCCC[C@@H]2C)CC1	2320336986	JMJLDIJMANRENN-PQEBFOHHSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CC(C)(C)CC[C@H]2C)CC1	2320387281	FOZPNDLJUZUYMW-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H](C)c2ccccc2C)CC1	2320412161	NDLCDAWJAWTCNV-JKSUJKDBSA-N	243.394	4.535	0	10	BJAE	
Cc1cc(C)c(N[C@H](CC2CC2)C2CC2)c(C)c1	2320615988	DENXOYYZDWNCLC-MRXNPFEDSA-N	243.394	4.602	0	10	BJAE	
C/C=C/CCCC(=O)c1cccc(C2CCC2)c1	2320657507	RVWGBHLNLBDQKC-NSCUHMNNSA-N	242.362	4.883	0	10	BJAE	
CC[C@H](Nc1ccccc1)c1ccc(Cl)cc1	20558887	MOGKQOQJQFPPMO-HNNXBMFYSA-N	245.753	4.903	0	10	BJAE	
Cc1ccc(-c2cccc(C(=O)C(C)C)c2)cc1	49829364	XJEMSCDKXHDCJO-UHFFFAOYSA-N	238.330	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H](C)c1ccccc1	68874095	ILUAMCVWURNBTM-ZOBUZTSGSA-N	248.410	4.758	0	10	BJAE	
CCCCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1O	85157527	HFTHQCIQBWJGFB-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CCC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C	107635090	PWBRKAFAEDUIKG-MRXNPFEDSA-N	232.367	4.529	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCC)c1ccccc1	109724439	GGILBFRCAVQIDH-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CCC[C@@H](CC)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	109944395	FDIQLIPJVMIGJU-ZJIFWQFVSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](CCc1ccccc1)NCC	111235689	HXBURAHYOLRQLY-KRWDZBQOSA-N	247.426	4.568	0	10	BJAE	
C[C@H](N[C@H]1CC[C@@H](C)c2ccccc21)C(C)(C)C	122615513	XFVWBHIUPRKUBM-WWGRRREGSA-N	245.410	4.649	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1cc(C)oc1C	124918063	SUCFUQHOTZKXIB-HIFRSBDPSA-N	237.387	4.503	0	10	BJAE	
CC(C)[C@H](N[C@H]1CCC(C)(C)C1)c1ccccc1	124971655	DLPYBCZRDAQDID-HOTGVXAUSA-N	245.410	4.552	0	10	BJAE	
CCCCC[C@H](NCC)C1(CC)CCCC1	125390786	HXXBWWWWWKHQJP-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@H](N)c1cccc(C2CCC2)c1	133636915	CSVOJWRKTNQJSH-INIZCTEOSA-N	231.383	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1ccccc1C(C)(C)C	162271541	LXTATOZYGVLCHT-CZUORRHYSA-N	247.426	4.810	0	10	BJAE	
CC(C)CCC[C@@H]1CCCC[C@@H]1CNC(C)C	166350304	MOVWUICZQKRYJP-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCCC[C@H]1N[C@@H](C)c1ccccc1	196089501	RJJQPZHIBPSGBC-USXIJHARSA-N	245.410	4.552	0	10	BJAE	
C[C@@H]1CC[C@@H]2[C@H](CCCC2(C)C)C1(C)C	196119673	JTHQJIOXHUASBW-UPJWGTAASA-N	208.389	4.885	0	10	BJAE	
CCCC[C@H](CC)c1nc2c([nH]1)CCC[C@H]2C	216974081	KXALGAYYOBXMIV-NEPJUHHUSA-N	234.387	4.533	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](CC)CC[C@@H]1NCC	217660929	IYXZHZBPFDBHTQ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCC[C@@H](CC)CC1	226702485	VZMWCYBJVXKEML-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H](CC)C2CCCCC2)C1	227202885	LSOYOSFEBUQBLH-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@H](NC)C1CCCCCC1	229145959	IJRMAJYYWSATQP-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H](N)C1C[C@H](C)C[C@@H](C)C1	229405673	DDHJVNUUVQIKHT-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C(=O)CCCC(C)C)ccc1Cl	229451891	QPGLXIBYQLEHLD-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@@H](C)CC2CCC2)c1	229686060	XIZXSWKZTGYZJY-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCC[C@@H](C(C)C)C1	230986230	WUYGWZOBDGITIF-HIFRSBDPSA-N	249.373	4.761	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc(Cl)c1Cl	233284479	PBBVMLHAJJJLFX-SECBINFHSA-N	246.181	4.984	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@H](CCC1CCCC1)CN2	235983509	UPDAGQAGNRLEBS-OAHLLOKOSA-N	243.394	4.783	0	10	BJAE	
CCCc1ccc([C@H](C)N[C@@H](C)[C@H](C)CC)cc1	249727589	XXEPLBFDEMINAI-ILXRZTDVSA-N	247.426	4.724	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](CC)CC[C@H]1CNC	250824847	NAESBDRKIKBXNM-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCC[C@H]2C)CC1	251869966	UIHAUUYDDGLFAD-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
Clc1cccc(N=C/C=C\c2ccccc2)c1	254790954	KAWRHCVFQIILQA-HPQKFPEESA-N	241.721	4.756	0	10	BJAE	
CCCC[C@@](CC)(CN)CCC1CCCC1	300759045	NIAWBBKYJSDZJM-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)[C@H](C)C(C)C	305955732	NTWKXESZNDAISC-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC(C)(C)C2)cc1C	306036177	QVOZRZIWGGBALC-MRXNPFEDSA-N	245.410	4.938	0	10	BJAE	
CCc1sc2c(CC)cccc2c1Cl	306628962	DDCBEZGIJRVCSA-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CC(C)c1ccccc1/C=C\CCNC(C)(C)C	310823652	IPMRXFZAYSQPGH-FLIBITNWSA-N	245.410	4.601	0	10	BJAE	
Cc1ccc([C@H](N)CC2CCC(C)(C)CC2)cc1	310974512	ITJJLDRSKBBROU-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(CNC3CC3)CCCC2)C1	311089137	HRDKEXBWRMLIOY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@]1(CNC(C)(C)C)CC=CCC1	317265340	QXTLHIPKDVBQRV-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC2CC2)(C2CCCC2)C1	317812415	NFFQRJZFCFIRQB-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)CC)CCCC[C@H]1C	318819235	VCFCVOYANGQORR-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCNCCC(C)(C)CC/C=C/c1ccccc1	324130920	KCEZCBNHAIJEIK-XYOKQWHBSA-N	245.410	4.506	0	10	BJAE	
CCN[C@H](CC/C=C/c1ccccc1)[C@@H](C)CC	324246600	HMJQJAGFFMYFLF-QSNQCMLGSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H]1CCCC12CCCC2	327996169	MQHXZYIEVPLSHX-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)c2cccc(C)c2C)CC1	328447196	JEKHNIWLKWKTBZ-ZOBUZTSGSA-N	246.394	4.553	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCCC(C)(C)C2)CC1	380150514	IJRFMLAIYZZTME-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@H]1CCCCC12CCCC2	383499126	DUGULLFANDZIAY-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)CCC1CCCCC1	385924571	TZOCEYDSFCDFBS-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(N)CCC[C@@H](C(C)C)CC1	393876500	GHMRDTWMXWWTEU-ARFHVFGLSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@@H](C)[C@@H](O)c1ccccc1	394741967	NMTQJTHGSBPBJV-NVXWUHKLSA-N	248.410	4.963	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(C)c(O)c1C	395180391	HLQLWPGGNFTLBY-UHFFFAOYSA-N	249.398	4.637	0	10	BJAE	
CCOc1cc2cc(CC)sc2cc1Cl	396191337	PDVBBLCGLHGXPJ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1sc2ccc(C(F)F)cc2c1F	396202791	TWQYNLJLWJJNAN-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cccc2sc(C(F)F)c(F)c12	396240044	KXGCAGHIKDDWRC-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cccc2sc(F)c(C(F)(F)F)c12	396295157	IJHANSRWVONHIY-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CSc1cc(C(F)F)c2scc(C)c2c1	396407189	NVERRXLTABQTNR-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CSc1ccc(C)c2scc(C(F)F)c12	396412327	VMHQXHGBDBWMQT-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@@H](CNc1ccc2sccc2c1)C1CCC1	398701858	KFGIUFGLNPRHOO-NSHDSACASA-N	245.391	4.749	0	10	BJAE	
C[C@@H](CC(=O)CC1=CCCC1)CC(C)(C)C	401084986	QOGINAQXJZTSBF-LBPRGKRZSA-N	222.372	4.518	0	10	BJAE	
O=C(CCCC1CC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	405765537	XTHKYVHNHYSLAN-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CCCC1(/C=C(/CNC(C)(C)C)C(C)C)CC1	687560232	FNJMZKJLLXRGBI-KAMYIIQDSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)[C@@H](C)CC	688921744	QVOVZVKIYOXAHN-XJKSGUPXSA-N	233.399	4.507	0	10	BJAE	
C(CN[C@@H]1CC[C@H]2CCCC[C@@H]2C1)CC1CCC1	689016832	ZIDFMRSUSKYGTN-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCC(=O)c1ccc(Cl)cc1C	697824964	CNUYLTSXTCMRJV-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@H]1CCCC2(CC2)C1	704604085	DNRLOLFMHPFNHD-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CSc1cccc(O)c1)CC(C)(C)C	709236234	PBQHXRFEEOQPNF-LLVKDONJSA-N	238.396	4.557	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H](C)c3ccccc32)cs1	710706462	VTYDPXGHIDWLOM-MEBBXXQBSA-N	243.375	4.717	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](O)(C[C@@H](C)C(C)(C)C)C1	710734406	DSKBJBHXANHDCH-XJKCOSOUSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@H](C)C[C@H](C)C(C)(C)C	711125990	IQRBTVRSHQZZTK-MCIONIFRSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](NC1CCC=CCC1)c1ccc(C)cc1	718039138	DTSCNIYYDDPLKJ-QGZVFWFLSA-N	243.394	4.535	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C1CCCCCCC1	718651082	IHKFYVALHFIGTQ-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC[C@](C)(CCC(C)=C(C)C)CNC(C)C	718753367	PUXYDQWGUMTMSM-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
Cc1cc(F)cc2c3c([nH]c12)C(C)(C)CCCC3	719295895	YMNWEDPOJAEEPO-UHFFFAOYSA-N	245.341	4.619	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@@H]1C)C(CCC)CCC	722692214	CZUGCXHTIFPSKR-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@]12CCCC[C@H]1C2	822080313	HANQPAYRYJVKFQ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1NCC(C)(C)C1=CCCC1	1462307930	BSHHJYVGQDDKMV-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C=C/C=C/CCNC1CCC2(CCCCC2)CC1	1651489626	CLVYAXIWJZCKML-ONEGZZNKSA-N	247.426	4.601	0	10	BJAE	
CC(C)C[C@H](C)CN1CC[C@@H](C)c2ccccc21	1653692855	HXLHAQBGQAVQCB-LSDHHAIUSA-N	245.410	4.682	0	10	BJAE	
C[C@H]1CC[C@@H](SCc2ccccc2Cl)C1	1656451583	DZPOVXQCGMFQFN-CMPLNLGQSA-N	240.799	4.762	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1C[C@H](C)CC(C)(C)C1	1656865607	NQUAJTSWPQKLML-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](O)[C@@H](C)CC=C(C)CCCC(C)C	1900837614	FBCNTUPGXISZGE-GJZGRUSLSA-N	226.404	4.556	0	10	BJAE	
CCc1ncsc1-c1ccc2ccsc2c1	1901573093	JCPSZCGLQQGATO-UHFFFAOYSA-N	245.372	4.587	0	10	BJAE	
CCc1cscc1N[C@H](C)[C@@H]1CCC1(C)C	1902376171	FCXZYDWAESHOJU-PWSUYJOCSA-N	237.412	4.547	0	10	BJAE	
CCc1cscc1N[C@H](C)CCC=C(C)C	1902377748	XTZBARFXFPQXIV-GFCCVEGCSA-N	237.412	4.857	0	10	BJAE	
CCCCCc1nc(C2CC3(CC3)C2)cs1	1903398383	IWGTTYDPAWTHMK-UHFFFAOYSA-N	235.396	4.533	0	10	BJAE	
CCCC[C@@](O)(CC)c1csc2ccccc12	1919491754	JVMPHKXMDXLBED-HNNXBMFYSA-N	248.391	4.689	0	10	BJAE	
CCCc1ccc([C@](C)(O)CC(CC)CC)cc1	1920026322	HOKHHFHTTICHMP-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CC(C)CCC[C@](C)(O)c1ccc(C(C)C)cc1	1920044612	YUDJTMAQMOITTA-KRWDZBQOSA-N	248.410	4.844	0	10	BJAE	
CC[C@H](C[C@H](N)CC[C@@H]1CC1(C)C)C(C)(C)C	1921578033	IUHLRRUTEFHEDG-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(F)cc(NC2C[C@H]3CCC[C@H](C2)C3)c1	1923470319	IJFWDFNPSUSMEE-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccc(C)c(Cl)c1	1939408796	XQQKVHSEXXQCKU-LBPRGKRZSA-N	237.774	4.639	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CC(CC)CC)NCC	1941262542	GJLLVRWXYBWFAN-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@@H](CC)C(C)C	1941274139	XCLYOUHLWFPDGM-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@@H](C(=O)C[C@@H](C)CC(F)F)C(C)C	1941274266	YOYYQPLYTAAUIF-VXGBXAGGSA-N	248.357	4.555	0	10	BJAE	
CCC[C@@](O)(CCCC1CCC1)C1CCCC1	1941471028	YNDSARJYGNJJFC-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(O[C@@H](C)c2ccccc2)c(Cl)c1	1941871228	WDDXHMOVAGWIAD-LBPRGKRZSA-N	246.737	4.788	0	10	BJAE	
CCCN[C@H](C)CCCC1C[C@H](C)C[C@@H](C)C1	1944206223	WXYYSDLAVAVXKH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@H](N)C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944846830	SHRGKGIICWKFLT-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc(C)cc1C	1947460859	LMHRGYWDGZZGHE-GOEBONIOSA-N	231.383	4.684	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC(C)(C)CC(F)F	1949014448	DSACLJUGASPXTB-FZMZJTMJSA-N	249.389	4.602	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H]1CCC[C@@H](C)CC1	1950923315	FUCRTPIDPUJCCG-BMFZPTHFSA-N	237.431	4.667	0	10	BJAE	
CCc1ccc(CN(C)CCCC(C)(C)C)cc1	1968372533	LRWNSHCNYWSBTJ-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
CCCCC1CC(NCCC2CCCCC2)C1	1968848564	HTDRSTUOGIUIOQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@@H]1CCC2(CCC2)C1	1969300070	BCMKBRVKWUVTNE-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@](N)(CC)[C@H]1CCCC(C)(C)C1	1978352997	OQHPFEQPRZQYDJ-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](O)c1cccs1	1980696749	SBIFOFSEIKZKBV-OLZOCXBDSA-N	240.412	4.778	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](CCC(C)=C(C)C)C1	1982563947	DTCGAKBRRCGVEH-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CC=CCCC[C@H](CC(C)(C)C)NCCC	1984619073	QGVWJQPCSNBRGA-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CC)CCC(C)C	1986948762	RHYJCWOCSFFMSH-GJZGRUSLSA-N	227.436	4.760	0	10	BJAE	
CCCCCc1ccc([C@H](CCC)NC)s1	1991770951	FOVGKBZJPOUSID-ZDUSSCGKSA-N	239.428	4.541	0	10	BJAE	
CCCC(CCC)N[C@@H](C)C1(C)CCCCC1	1995979196	APIUKJJGVKKNBK-AWEZNQCLSA-N	239.447	4.904	0	10	BJAE	
CCCC1CCC(O)(C[C@@H]2CC[C@H](C)C2)CC1	1996273180	SMTKVJYIVNPWOR-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)C1CCC(C)CC1	1996551226	ASSUUKJMAGCKEF-PYBGIAKNSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](NCC(C)(C)C)C1CCC(C)(C)CC1	1996593419	GTIIFZGBBRSUOQ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](CCC(C)=C(C)C)NCC	1996612719	ZXHBFHOQDVIESY-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@H](C)C1CCCCC1	1996613401	QYSQLRNRPALQGZ-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@]1(N)CCCC2(CCCCC2)C1	1996648403	ZDXZASQPQZKRCB-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NCCCCC1CC1	1997426167	LEMHCXUHTHYSOU-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1C(C)=CCC[C@@H]1C	2000385252	PHDFSGYNRWDCNY-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC1(C[C@@]2(O)CCC[C@H](C(C)(C)C)CC2)CC1	2002502527	ABWZCAMVXGHYJY-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2002782727	SDAXRTHKLHFDRE-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@](C)(O)C[C@@H](C)CC)CC1	2002925798	UHECYFLYHHXHOS-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CCCC2CCC2)C1	2002982647	IOQNGYDOTPZLOV-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@H](NC1CCCCC1)[C@H]1CCCC(C)(C)C1	2003017342	IVXGYDWRELTXCZ-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(CO)CCCCC1(C)C	2005586408	NOVZUUAESGJDQN-GOEBONIOSA-N	240.431	4.638	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CCC[C@@H]1C(C)C	2007661098	YJPIJEZLOUUDKY-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C1(C)CCC(C)(C)CC1	2007681002	DKNHWOFTRMQWLE-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C[C@@H](N)C=C1CCCCC1)C(C)(C)C	2007934415	KEILBQKNPLKRKJ-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@]1(C[C@H]2CCCC(C)(C)C2)CCCN1	2009066883	JQYAKQGFCSONNP-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCCN(CCC(C)C)CCC(C)C	2009574227	AXEGSQUCQFIQTI-VOTSOKGWSA-N	239.447	4.737	0	10	BJAE	
CCCCC[C@@H](C)NCC12CCC(CC1)CC2	2012789264	XLUVTLYTVVDPGB-QQFBHYJXSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@@H]1CC12CCCC2	2013295933	INPMREMIHUDALL-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(O)C2(C)CCCC2)C1	2014325891	MZZCAPBFMTUZQY-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H]1CNC1CCCCCCCC1	2014856518	WBYQPVYAYYGJOI-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC(C)C)CC1(CCC)CCC1	2015642217	NXTSOWZBUVKEHL-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@H](C[C@H](C)CC)NCC)CCC1	2015646407	ZQADTUOGEXPFDL-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CN[C@]1(C)CCCCC1(C)C)C(C)C	2016113255	VXGGVKNRQLFZPO-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)C[C@@H]1C[C@@H]1C	2016851735	KOXSNDGIRNWQRK-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(CC[C@H](O)CC2CCCC2)CCC1	2017120269	ATLHKWOBGBADHS-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC[C@H](CC)CC1)C(C)C	2017729235	UPEXKKGBEHZRBM-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CC2CCC(C)(N)CC2)CC1	2017737980	RESDDTOBCFELNA-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H]2CCCCCCC2=O)CC1	2017775906	IHXDDLYBWFOHBQ-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CC)NC1[C@H](C)CCC[C@H]1C	2018074068	FIFQMZIZJYADBP-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H](C)C[C@H]1C	2018138347	FZYKSLBDBBVASN-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](CC)NC1CCC(CC)CC1	2018139712	URUYGBMLFDXIJX-PCKAHOCUSA-N	239.447	4.904	0	10	BJAE	
CCN[C@@H]1[C@H](CCCC(C)C)CCCC1(C)C	2020361873	TZAMAIZAMIBUTA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(-c2cccc(C)c2Cl)ccc1O	2020678907	HHFVFFNLEOEAPY-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1C[C@H]1C1CCCC1	2022414709	MGYMNIPTDCAVKY-GJZGRUSLSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCCC[C@H]2N)C1	2024096538	VOAXPRDPAHYWFE-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C)[C@H](CC)C[C@H]1CCCC(C)(C)C1	2024101475	KXDSYBDNQCGCNG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2CC[C@H](C)CC2)C1	2024126365	XPZXZDFUPFNFEH-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H]1[C@@H](NCCC)CCC[C@H]1C	2024509144	FGLFNCWGDIMNBS-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@]2(N)CC[C@H]3C[C@H]2C3(C)C)CCCCC1	2027310218	YNWXZKLEYQMKEO-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]32)cc1	2027319157	KBRSEHACAGGWLO-ZFZWDLNGSA-N	243.394	4.801	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1	2027624957	LWTPPBFJBKYBSQ-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1cccc(CC(C)C)c1	2028227196	AKNHRSISWKDTEL-IRXDYDNUSA-N	248.410	4.601	0	10	BJAE	
CCC[C@H](NCC1(C2CCCCC2)CC1)C1CC1	2029746365	ZHUZDAZUIVGZOQ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
COc1ccc2ccn([C@@H](C)CCC(C)C)c2c1	2029835155	DEEMHBOFBZWORS-ZDUSSCGKSA-N	245.366	4.647	0	10	BJAE	
O=C1CCCC[C@@H]1c1ccc(C2CCCC2)cc1	2031744998	JSSOVFQQOOJUTK-MRXNPFEDSA-N	242.362	4.571	0	10	BJAE	
CC(C)CC1(C(=O)C2[C@@H]3CCCC[C@@H]23)CCCC1	2033487367	YDXHMHSQHAWMOU-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@](C)(N)c1coc2ccccc12	2037123639	QCPQEBFWLQDZKX-INIZCTEOSA-N	245.366	4.577	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@H](N)c1ccc(C(C)(C)C)cc1	2037126295	ZCEZQJYNPPXDGA-IOASZLSFSA-N	247.426	4.666	0	10	BJAE	
CN[C@H](CCC1CCCC1)CC1CC2(CCC2)C1	2037973880	DXYTVMMCAJIPAN-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CC12CCCCC2	2039011860	LEWYIJIFHWLGNA-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)CC23CCC(CC2)C3)CC[C@H]1C	2039422884	YEIUOIJPXHDDSD-GMILMZFISA-N	248.410	4.598	0	10	BJAE	
C1=C[C@H](N[C@H]2CCCC3(CCC3)C2)CCCCC1	2041290302	POJFNMOPSIYFQE-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC(C)(C)C1CC(N)([C@H]2CCC3(CCCC3)C2)C1	2043006534	HKAURXMOMRLUPO-CBCUQQMYSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@]1(C[C@H]2CCC=CCCC2)CCCN1	2045322972	IVVYRENIADOJAZ-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H]([C@]2(N)CCC3(CCCC3)C2)C1	2045384335	HZSZFUVISYBPCT-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
OC1(C[C@H]2C=CCC2)CCC2(CCCCC2)CC1	2045667851	JXRHVEMBEIXPOX-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@H]1C(C)=CCC[C@@H]1C	2045808614	XSHOTNZROOEXJZ-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C[C@H](N)C[C@H]2CC23CCCCC3)C1	2047008309	NJAYDGCBLCSJEV-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
NCC1(C[C@H]2CC23CCCCC3)CCCCCC1	2047012800	QTZKZUWHDNSDGO-HNNXBMFYSA-N	249.442	4.646	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H]1CCC12CCC2)C1CCCCC1	2047937277	WRSKUMUYIRPORW-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC(C)(C[C@H](N)C[C@H]1CCCC2(CC2)C1)C1CC1	2049851271	CXRMUDWCCFTNIE-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@H](N)CC[C@@H]1CCC[C@@H](C)C1	2050455186	BWXFYRHMRMUMHG-UKPHBRMFSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@@H](CCC1(C)CCCC1)c1ccco1	2050524179	BJNRCHRJRSJJEC-AWEZNQCLSA-N	249.398	4.681	0	10	BJAE	
CCc1ccc(C(=O)C2(C)CCCCCCC2)o1	2052461868	OFRVLDAQTHZDNT-UHFFFAOYSA-N	248.366	4.775	0	10	BJAE	
C[C@@H]1CC=C[C@](N)(C2CCC(C(C)(C)C)CC2)C1	2054983195	LOHXGDUGKAAHGH-ARAOSMHQSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1CC[C@@H](C)[C@H](C)[C@H]1Nc1ccc(CF)cc1	2055675715	YAUVAYMKZDHTCA-DVZHBHJUSA-N	249.373	4.639	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)CC[C@H]1CC1(C)C	2056873125	KOWYEHQULNKJAT-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C1(C(C)C)CC1	2056881355	IDQLJQWLSIDRDV-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(Cl)c(Cl)c1C(F)(F)F	2060075030	CJNDFPXZVJEEEN-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@H]1CC1(C)C	2061098873	LMNLOGYPYGADKC-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CC1(C(=O)CC2CC(=C3CCC3)C2)CCCCC1	2061696749	UKECNXRZGQFIBK-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
O[C@]1(C[C@H]2C=CCCCC2)CCCCCC12CC2	2062032700	VSFHCSNBPWWEJL-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@]2(O)C=CCC3(CCC3)C2)CCCCC1	2063679229	XQPGYPFPPFPTNF-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H]1CCC[C@H](CC23CCC(CC2)C3)C1	2065338709	HUIBGRJJQUJEAB-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068711220	QZWNJWWYMKQSMX-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CC(=O)c2ccc(C)c(F)c2)CCC1	2069283211	QOBHSIGUQGYUBB-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)C[C@]12CCC[C@@H]1C2	2070967044	LYFVOTODWOANBJ-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(C(=O)CC2(C(C)C)CCC2)c1	2071920169	SJCYQARCPGUYDV-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1c(C)cccc1C	2072418381	GPYZURLCNOZUGR-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CC(C)(C)CCCN1[C@H]2CCC[C@H]1CC1(CC1)C2	2075132264	OGXPOPMHLMMFME-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CC(C)CN(C[C@@H]1CCC=CCCC1)C1CCC1	2076744194	WKQLZEJMNKOKRT-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
CCCCc1ccc([C@](C)(N)C(C)(C)CC)cc1	2078001851	SLHONIUVGZNCEA-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC1CCC(N[C@H]2C[C@H]2C2CCCCCC2)CC1	2079527875	JIHZRGJBDUKPKL-KMZOKZLKSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CCC)c1ccco1	2079667196	VWGJUPGMHGMJKN-RRFJBIMHSA-N	249.398	4.537	0	10	BJAE	
CC[C@H](C)n1nc(C(C)C)c(C(C)C)c1Cl	2079716735	IBKACQUKTCCYNE-JTQLQIEISA-N	242.794	4.754	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2C[C@H]2C2CCCC2)CCCC1	2079723945	JCYVDJAWVWTVCW-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CCC1C[C@@H]2CC[C@H](C1)N2CCC1CCCCC1	2084423847	BDBJEFWTXMQFKY-ZXFUBFMLSA-N	249.442	4.610	0	10	BJAE	
CCC1CC(C[C@@H](N)C[C@H]2CCC=CCCC2)C1	2084999557	XMVQFHQOXYMGKR-XGHPGWEVSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CCCCCCC1CC1)CC1CC1	2213574944	ZVGKZVDIMFYNFQ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@H](O)CCCCCCC1CC1	2213577997	HQVIPWPGQKRKMA-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@@H]2C[C@H]2C)CC1	2215326299	XRKFAUUEQYRMMN-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC1(C)[C@@H](N)C[C@H]1CCCCCCCC1CC1	2216891849	IHFVFWKWZWOYFW-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1(C)CCCC1	2218341169	VSCSNXSODKMABM-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1[C@H]2CCCC[C@H]21	2218730414	FHONAKCDGBOBHX-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](CC=Cc1ccccc1)NC	2219087107	HVRPABLUVAXBRS-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C1(C)CC2(CCC2)C1	2221001964	JGXMRSLXGURYAI-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CNC[C@]2(C)CC=C(C)CC2)CCC1	2221639651	DLIGONIQGQAUNC-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)c1c(C)cc(C)cc1C	2222001558	MSEFGWUKEAKLPW-YVEFUNNKSA-N	248.410	4.646	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1	2222955131	QGXXQBPJGXWWOB-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC[C@H](CNC1CCC1)[C@H]1CCC2(CCCC2)C1	2223548787	RGEQXPOTHQGREM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)Nc1ccc2cc(C)ccc2n1	2224120039	IVZQGYIUGNCXEZ-UHFFFAOYSA-N	242.366	4.534	0	10	BJAE	
CCCC[C@](C)(N)CC[C@@H]1CCC[C@H](C)C1	2242816043	MBHKLJBNTUTKHY-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(OCCCC[C@H]2C[C@@H]2C)c(C)c1	2247117203	CMGOAKMDSVVHHI-ZFWWWQNUSA-N	232.367	4.509	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCCC[C@H]1C[C@H]1C	2247128566	KTOOXIHZBYDZOD-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(NC(C(C)C)C(C)C)cc(C)c1C	2249492015	YUDZWWWHOIQDGR-UHFFFAOYSA-N	233.399	4.704	0	10	BJAE	
C[C@@]1(CN)CCC[C@H]1CCCCCCC1CC1	2249928205	VUXDYKARRCFTKT-CVEARBPZSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1CC12CCCCC2	2250360325	WKHMMVJKYGERRO-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1ccc(C(C)C)cc1	2250361268	LCQKRIDKUFJOMT-BBRMVZONSA-N	234.383	4.670	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](CN)C(C)(C)C	2250469216	MFXCTNZZAJLGIA-GJZGRUSLSA-N	241.463	4.850	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@]12CCCC[C@H]1CC2	2251163773	SEZCYNZEVPGJGY-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)C1CC(CC(C)(C)C)C1	2251535856	OVMRXEXWYYHSKN-IWMBGFJWSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CCC1CC(C)C1)C(C)(CC)CC	2251751433	QUFHPBUDNZEJHN-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)C2(CC3CC3)CC2)C1	2253910702	LKULTIVBSXVQGD-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc([C@@H](N)CC[C@H]2CCC[C@@H](C)C2)c1	2253934245	GVYRMRFMJPEPLE-UNEWFSDZSA-N	245.410	4.601	0	10	BJAE	
CCC[C@@H]1CNCCC1=CC[C@H]1CCC[C@H](C)C1	2253999289	WXOJKMNRYCMAFI-ZMSDIMECSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C[C@H]1CCC1(C)C	2255027145	SBXZLNWPRVYTSA-JJRVBVJISA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@H]1CCCC12CC2	2255247277	QDVOKTMHBSEZFO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](CC[C@@H]2CCCC23CC3)C1=O	2255257796	XTGHEEMNZSWFHK-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC[C@H]2CCCC23CC3)C1	2255266629	AVIBGMGXUMKSFW-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC[C@H]1CCCC12CC2)CC1=CCCCC1	2255328902	KKOPEQWMYURDNC-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CCc1ccc(NCC[C@@H]2CCCC23CC3)cc1	2255332116	OTMPKYUHSOAXAG-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCCC[C@@H]1CC	2256115592	OTCRHLHDIQHPQX-WFASDCNBSA-N	249.373	4.769	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@H]2CC23CCC3)cc1C	2256451469	KNVMREQFAFILLN-CZUORRHYSA-N	243.394	4.548	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cccc2ccccc12	2259444726	QQSQIRIBPOCNHS-SUMWQHHRSA-N	241.378	4.666	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@]12CCC[C@H]1CC2	2260485651	GRPSTSXXYHFICO-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
O[C@H](C1=CCCCCCC1)[C@]12CCCC[C@H]1CC2	2260517173	AHMFISPEYNOWML-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(CN[C@]23CCC[C@@H]2CC3)CC1	2260561019	JEZXDQKGMMAKHC-BACDZXNISA-N	249.442	4.515	0	10	BJAE	
CCC1([C@H](C[C@@]23CCCC[C@@H]2CC3)NC)CCC1	2260599998	DXDXMKYATSQCST-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@](N)(C[C@]23CCCC[C@@H]2CC3)CC[C@H]1C	2260646544	MJFLUKYRNUQABU-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@]12CCC[C@H]1CC2	2260652017	OWMQGFPUCLYTES-USXIJHARSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@]12CCCC[C@H]1CC2	2260656187	FOJZAHRJOUIEKY-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@@H](N)C[C@@H](CC)C(C)(C)C	2298126329	VICLSCFOQWNAIL-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CC[C@@H]1C[C@@H]1CC	2298126850	HZRSRJVGUTVUHP-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298386457	RMGYFXGNOHLNNM-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298440497	CRNCLFQUKQASJN-SNPRPXQTSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@H](CCC(CC)CC)NCC)CC1	2300675442	FGTLOVTUKODGKG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@@H](NC)C(C(C)C)C(C)C	2300684021	PQDFQYBWBVLOER-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CC(=CCC(=O)[C@@H]1[C@@H](C)[C@H]1C)CCCC(C)C	2300882760	XOOVFYLJWGLDBS-FOLVSLTJSA-N	236.399	4.620	0	10	BJAE	
CC(=CC[C@]1(O)CC[C@@H](C)C1)CCCC(C)C	2300913034	AEMCRMNFZBLBNF-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCCCN(C1CCCC1)[C@@H](C)[C@H](C)C(C)C	2301973763	DMUQEQILXXEEMI-CABCVRRESA-N	239.447	4.712	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H]1CCC(C)(C)C1	2302679376	LOTIDXGOVIXLDI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](C)(O)CC[C@@H]1CC[C@H]1C1CC1	2303184265	XUUIWLMGAAXITC-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@@](CO)(C[C@H](C)CC(C)C)CC1	2303471307	ZQSDCJFYWXNMTM-CJNGLKHVSA-N	238.415	4.558	0	10	BJAE	
CCCCC[C@](C)(N)CC[C@H]1CCC(C)(C)C1	2304437892	SQHFKRNUOQEFBA-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCN(CC[C@@H]1CCC(C)(C)C1)CC(C)C	2304447628	PWIQXVHLNXHWLK-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1CC(C(C)(C)C)C1	2307911668	XCAFAPUFQGJABR-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)CCC(=O)c1ccccc1C	2307922528	MVBAJWYUVBRNFY-CQSZACIVSA-N	232.367	4.784	0	10	BJAE	
O=C(CC1CCCC1)CC(CC1CC1)CC1CC1	2313622677	CHUOVCJZMCJVQG-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(=CCNC1CC(C)(C)CC(C)(C)C1)C1CC1	2315263187	JZEDEHOEQVBUNN-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@H]1CCCC2(CC2)C1	2316873403	GMVSPUUMPBEGJT-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)(CC)NC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317209563	SLEJDSJVIKIROM-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@@]1(C)C[C@H]1C	2317904790	RPORXDMRXSKRIS-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)CC1(C)CC1	2318583997	VVOKNTMAUOWAQQ-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
Cc1cc(F)ccc1C(=O)C[C@@H]1CCC(C)(C)C1	2319286728	NKEZDRDRNZWDON-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
N[C@@H](CCC[C@@H]1CC[C@H]1C1CC1)C1CCCCC1	2319747607	GNGYHWRSVDWEAC-XYPHTWIQSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCC(C)(C)[C@H](N)C2)CC1	2320336493	ZTTVDQJTGUBEGR-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)Cc1cccc(C(C)C)c1	2320623481	NZFAEEOBJNQYOS-CQSZACIVSA-N	246.394	4.604	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](N)(CC2CC2)C2CC2)C1	2320625481	VQKJRZHCPJSBDG-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)[C@@]2(C)CC=CCC2)C1	2321612279	ZLXZOLSXWKYSRF-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2321627259	YCRGSAPSUHDNGH-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@]1([C@@H]2CCC[C@H](C)C2)CC=C(C)CC1	2326705465	ZJTNMSXVTGBOGH-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(C)c1NCc1cccc(Cl)c1	8415270	ALQGYCWFXFSICU-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	35044454	LLXUXEQIAXPJKY-ZHCJQAHYSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c2c(Cl)cc(C(C)(C)C)nc12	36913012	ACHCHEGMWZCNNT-UHFFFAOYSA-N	247.769	4.803	0	10	BJAE	
CC(C)C[C@H](C)Nc1ccc2ccccc2c1	36952011	YTJQYCHEJZVAQK-ZDUSSCGKSA-N	227.351	4.686	0	10	BJAE	
CCCCCC[C@H](C)NCC1CCCCC1	37117266	ZLBIYMYLLRYCGA-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
Cc1cccc([C@@H](C)NCCC2=CCCCC2)c1	37216808	QTAJTLBABRMBKC-OAHLLOKOSA-N	243.394	4.536	0	10	BJAE	
O=C(c1ccc(Cl)s1)C1CCCCCC1	53713816	YSBFZPJLXHLIHY-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC(C)=CCC[C@]1(C)[C@H]2CC=C(C)[C@@H]1C2	59587970	YMBFCQPIMVLNIU-SOUVJXGZSA-N	204.357	4.725	0	10	BJAE	biogenic,in-vitro
Clc1ccccc1NCC1CCCCCC1	84328179	QGYATNJUMRXIKB-UHFFFAOYSA-N	237.774	4.722	0	10	BJAE	
CSc1cccc(N[C@@H]2C[C@@H](C)CC[C@H]2C)c1	85083369	GTSBTUAGISWQPN-YWPYICTPSA-N	249.423	4.645	0	10	BJAE	
CC(C)CCCN[C@H]1CCC[C@H](C(C)C)CC1	86944729	OVSUQEDSFJAUOI-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)Nc1cccc2ccc(C)nc12	103980714	NCYAWJZKHISNFY-LBPRGKRZSA-N	242.366	4.534	0	10	BJAE	
CC(=O)CC[C@@H](C)c1ccc(C)c(C(C)(C)C)c1	107635877	FDMFIDJUNRYAKC-GFCCVEGCSA-N	246.394	4.765	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)(C)C)C1=CCCCC1	110228497	KCHJKKVBIKYPGU-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCc1ccc2nc(C3CCCCCC3)[nH]c2c1	124924653	KJHORVKMOPSSAE-UHFFFAOYSA-N	242.366	4.563	0	10	BJAE	
CC(C)CC[C@H]1CCCC[C@H]1CNC(C)(C)C	130255861	CEFKATBZUSEXAQ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C)Nc1c(C)cccc1F	135236778	SHWYRRKWMCZISP-GFCCVEGCSA-N	223.335	4.515	0	10	BJAE	
O=C(CCCC1CCCCC1)c1cccs1	145095918	YEAIUNRWAQLLCB-UHFFFAOYSA-N	236.380	4.681	0	10	BJAE	
CCCCC[C@@H](NCCC)c1cccc(C)c1C	159504088	KMHVILIMLXSTOV-QGZVFWFLSA-N	247.426	4.924	0	10	BJAE	
CCC[C@H](C)[C@@H](O)c1c(C)ccc2ccccc12	160965826	ODDGDKVCZZIFDD-SUMWQHHRSA-N	242.362	4.618	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)c1cc(C)cc(C)c1	163435861	YPZWANOUCCJSHT-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@@H]1CCCc2ccccc21	164357399	KUPXHVGIHCASRP-HIFRSBDPSA-N	244.378	4.502	0	10	BJAE	
CCCc1cccc(-c2ccccc2C(C)=O)c1	166083937	NLVSARZFMGFPGV-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C1CCCCCC1	168021225	MHXGONDZLSNYAA-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)NCC1(CC2CCCCC2)CCC1	203542851	YJRHAKOSVHQEPF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC/C(=C/c1ccc(C(C)C)cc1)CNC(C)C	211796050	PQVYJTCITXTVHZ-PTNGSMBKSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@H](C1=CCCC1)C(CCC)CCC	211917863	SDPFRNBCDKVKLS-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)C(CCC)CCC	211917938	SDPFRNBCDKVKLS-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1C	220572618	MMHZBSHCMQPEMS-OSAQELSMSA-N	231.383	4.540	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2c(C)cccc2F)s1	224987693	FKCYYDTUWNHNQC-LLVKDONJSA-N	249.354	4.677	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H]1CCC[C@@H](C)C1	225984229	PKEBWRWJPMWQBP-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCC[C@@H](C(C)C)CC1	226538108	AAAPCTQLBOZCMY-PMPSAXMXSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@H]1CC[C@@H](C)C1	227406752	BYFNQAULKPPKGG-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CN[C@H](C)c2ccc(C)cc2C)CC1	233038923	UPCLUFIAPLLHTM-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	253170917	HXVDECLCLIOOOU-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1C(F)(F)C1CC1	258992927	LKGMAMDEPBXINI-UHFFFAOYSA-N	238.321	4.794	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCC[C@H](C)CC1	300691703	YDDCGEOABLEFEE-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H](C)CCCC	300873524	FDHSNMZNDMPSRM-ZIAGYGMSSA-N	226.404	4.988	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CCc2ccccc21	302351443	WMPHVUAQNFMYJA-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)c1ccccc1C(C)(C)C	302569359	OTJJJXQPCZZCEU-CZUORRHYSA-N	247.426	4.666	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CCC2CCCC2)C1	304126599	MQBXPUAAUUETQJ-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H]2CC[C@@H](C)[C@H](C)C2)c1	305670135	KBWJMKCIKPGCAZ-IIAWOOMASA-N	241.378	4.947	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C2CCCCCC2)C1	306050009	PFIUTZXAMCVIQF-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CSc1ccc2c(Cl)c(S)sc2c1	307212628	PHJYKEQPKBQQPL-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1(CCC)CC1	309259790	CZVIPVKOVIGDIL-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCC1(C(=O)c2ccccc2C(C)C)CC1	310077102	BLJZRVYSLZDTRS-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CCCC(C)(C)C)cc1C	310574198	GCWLSISSXBNVJZ-INIZCTEOSA-N	248.410	4.862	0	10	BJAE	
CCC(CC)[C@@]1(CNC(C)(C)C)CCC[C@H]1C	318028430	PJFBWYIDNRMKEG-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1csc2ccccc12	318909824	SGNVOSIMMTWYLG-RWSFTLGLSA-N	248.391	4.617	0	10	BJAE	
CC(C)[C@H](C)[C@]1(O)CCC[C@H](C(C)(C)C)CC1	319338910	KTEKPCABWINELD-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)CNCC(C)(C)C(C)(C)C	380165001	VVLFTDHPJDEVBD-CQSZACIVSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCCCCN[C@H]1CCCC(C)(C)C1	383304927	UPXMXQFWUDWKOG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@H](CCC(C)(C)C)Nc2ccccc21	383340090	XIYIBQBIGPFHPI-OLZOCXBDSA-N	231.383	4.801	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC[C@@H](C)[C@H]1C	383521377	KPNOWILTCIFTRG-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CC[C@@](C)(CNC(C)C)CC1CCC(C)CC1	383879185	JHALHZMMQSVVAD-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CNC[C@@H]1CCCC1(C)C	388944168	SLXAULKGRIPUHI-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)CCN[C@H](CC(C)C)c1ccccc1	394462161	PIYCQJKVRKGYSR-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
CCc1cc(C(F)F)cc2scc(C)c12	396201882	QAUNXCRUFUCYLE-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)CC1CCCCC1	400464612	NJHGQGMDPUPYQX-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@@](O)(CCC1CCCCC1)CC1CCCC1	689766814	NKPLYBUJZMUFBT-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@@H](C)C2CCC2)cc1	692675360	UOAFXBQRSJQZPO-GDZNZVCISA-N	245.410	4.636	0	10	BJAE	
CC(C)=CCC[C@H](N)c1ccccc1C(C)(C)C	697770393	FKZTYRMMGLZMBT-INIZCTEOSA-N	245.410	4.730	0	10	BJAE	
CCSc1cccc(NCCC=C(C)C)c1	697773995	LPMPTSJPKXBOQC-UHFFFAOYSA-N	235.396	4.567	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H]1C[C@@H]1C(C)(C)C	699831388	IDCREYMVKUZSHP-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CNC(C)(C)C)CC1CC=CC1	700907350	ZRCWZQWYMNFCDD-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)c1sccc1Cl	704610062	HRZONPMLKRJMEE-WPRPVWTQSA-N	246.803	4.507	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@@H]1CCC[C@@H](C)C1	704960390	YGCRBFPLRICQOB-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC1CCCCCC1	704993627	LEZJEBRKRBUECZ-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CCC3(CC2)CC3)CC1	709989301	KMYPVDNWXLTETB-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)[C@H](C)NCc1ccc(C(C)C)cc1	710038276	WXLZLGZAAXMOBJ-AWEZNQCLSA-N	247.426	4.724	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC/C=C/c1ccccc1	710242080	CLVDVLXUPBHRJP-OQRGYWNNSA-N	245.410	4.634	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H](C1CCCC1)C1CCC1	711831088	IJCRMUBGQHZUMZ-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CC/C=C/C[C@@H](C)c1ccc(OCC)cc1	714557342	MISULNWABCLLMY-KTRBRXNASA-N	218.340	4.545	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc(C2CC2)s1	716621317	DLEQGFJYPGDXLT-GFCCVEGCSA-N	238.396	4.629	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)[C@H](C)CC(C)(C)C	718637601	NHOOLEPJQIKSMU-ZIAGYGMSSA-N	226.404	4.556	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccccc1C1CCC1	721693108	UTRHCISPRVUWGO-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C[C@H]1CC12CC2	723180690	BBMGGUYTJQXGBA-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C[C@]2(N)CCCCC23CCCC3)C1	723589492	ZGIOMOANWFCGCB-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
c1ccc(CS[C@@H]2CCc3ccccc32)cc1	1188540089	ULOUGKXXKFFZCZ-MRXNPFEDSA-N	240.371	4.607	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1NCC(C)(C)C1=CCCC1	1462307940	BSHHJYVGQDDKMV-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@@H](C)SCc2ccccc2)c1	1640816159	CYMNSUCEFMISRO-CQSZACIVSA-N	242.387	4.989	0	10	BJAE	
CC[C@H](C)CSC[C@H]1CCC[C@H](C)C1	1643785079	FUGDETXDKXISGG-AVGNSLFASA-N	214.418	4.592	0	10	BJAE	
CCc1nc(S[C@@H](C)CC(C)C)sc1C	1656706437	HFVAXDOXIYZNPG-VIFPVBQESA-N	243.441	4.541	0	10	BJAE	
CCC(CC)c1c(F)ccc(F)c1Cl	1889481542	UXFKFSPPKPAYRK-UHFFFAOYSA-N	218.674	4.522	0	10	BJAE	
O=C(CCC1CCCCCC1)c1cccs1	1901060329	GCMSHQCBNMQDFV-UHFFFAOYSA-N	236.380	4.681	0	10	BJAE	
Cc1ccc(Cl)c(O[C@H](C)[C@@H](C)C(C)C)c1	1901620647	XERXYCXRJVCZPA-NWDGAFQWSA-N	240.774	4.708	0	10	BJAE	
CC1(C)CCC[C@@H](c2c(F)ccnc2Cl)C1	1903368586	XGXYDUNCMSJSNL-SECBINFHSA-N	241.737	4.558	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C(C)(C)C(C)(C)C	1905436261	YLJMBVMLPWIUJP-STQMWFEESA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](O)C1(C)CCCCCC1	1908585330	YJJNIOIVAIBDRI-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC=CCCN[C@H]1CCC[C@H](C(C)(C)C)CC1	1911978245	OPQARDZATPOVDG-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	1912075281	SAYDEHJFZZANGW-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CCCCCCCC[C@H]1CC	1913395703	MYNJHELZMICOLC-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCCC=CCN[C@H](CCCC)c1ccccc1	1914682091	MAPJNJNGYLKJDA-QGZVFWFLSA-N	245.410	4.864	0	10	BJAE	
C[C@@H](N[C@@H]1CCC2(CCCC2)C1)c1ccsc1	1916420784	BAMCJLDERKUGDV-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CCC2(CCCC2)C1	1916435204	DBYGKGLRHWHQLE-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCC1CC(CNC(C)C)([C@@H](C)CCC)C1	1921270994	HUOINRWUYQZHQK-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCCC1CC([C@@H](N)CCCCCC2CC2)C1	1921286287	IVJPAZRVBBKVHT-GPANFISMSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H](CC[C@@H]2CC2(C)C)Nc2ccccc21	1921558640	QCUDMGHZEGJUJZ-MCIONIFRSA-N	243.394	4.801	0	10	BJAE	
C1=C[C@H](Cc2cccc3c2CCCC3)CCCC1	1925819864	NAKWEBLTLWPJLW-HNNXBMFYSA-N	240.390	4.854	0	10	BJAE	
COc1c(C[C@H]2C=CCCCC2)ccc(C)c1C	1925843733	NLBQQHXPNGRCHM-HNNXBMFYSA-N	244.378	4.601	0	10	BJAE	
Clc1cccc(CC[C@@H]2C=CCCC2)c1	1932607869	WVUHXCTZPAVFIP-GFCCVEGCSA-N	220.743	4.629	0	10	BJAE	
CC1(CC(=O)CC2CCCCC2)CCCCC1	1940382044	ADSRLVVGXXOIBE-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCN[C@@H]1CC[C@@](C)(CC2(C)CCCCC2)C1	1940411430	WOFUOPNMTVEFOR-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCCC1(C)CC1	1940873602	CDGWWHOGPMLNHY-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCC1CCCCC1	1941263997	QAXMAFRWPUUEEV-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)c1sccc1C1CC1	1942504792	ZFVISRLSCCAGEA-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C[C@@H](C)C1CC1	1944518750	XVPRFAUQRSEBSA-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(C(=O)CCC(C)(C)C2CC2)C1	1948411907	BDYKMVWSLJYLBE-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@@]1(N)C[C@H](C)CCC1=C(C)C	1948965332	YLZAATVPGZSCRX-CJNGLKHVSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CCC(C)(C)C1CC1	1949033717	LHPKDPUSWIVYIG-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1c2ccccc2NC[C@H]1C	1949113525	YMJSOKPEPAPTPO-ZENOOKHLSA-N	231.383	4.514	0	10	BJAE	
CC[C@](O)(CC1CC1)C[C@H](C)C1CCCCC1	1950094254	GYUZWBVKGHSMQR-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)CCC2CC2)c1	1968407965	KWGDQQXDUYGAOA-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CC[C@@H](C)C1	1968597650	NYVCZTGNDROAHC-DOMZBBRYSA-N	231.383	4.719	0	10	BJAE	
CCC[C@@](C)(CC=C(C)C)CNC(C)(C)C	1978647996	NPQIVYKLTQRERW-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)C1(C)CCC1	1981354405	RFKRBTWPZWTCEL-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(C)n1[C@H](C)C1CCCCCC1	1982684985	LTKISRQSRAVPJU-CQSZACIVSA-N	219.372	4.636	0	10	BJAE	
C/C=C/CCCCCCCC1CCOCC1	1984605232	GOJOLXNOGCWRIA-NSCUHMNNSA-N	224.388	4.720	0	10	BJAE	
CC[C@](N)(CCC(C)C)[C@@H](C)CCC(C)C	1986938796	PQAJYAVKUVSMHH-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H](CNc1cc(Cl)ccc1C)C(C)C	1988765040	QNIDNOYTQIYYBW-LBPRGKRZSA-N	239.790	4.743	0	10	BJAE	
CCCC[C@@H](N)CCC1(C(C)(C)C)CCC1	1989460160	BXCHQSKWORZGQU-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(C)c2occ(C3CCCC3)c2c1	1995497460	AQMSXDWTMOIMRZ-UHFFFAOYSA-N	214.308	4.707	0	10	BJAE	
CCCC(C)(C)[C@@H](CCC(F)(F)CC)NCC	1996603625	VSOXRNSNFVIBHT-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCC1(C(=O)CC2CCC(C)CC2)CCC1	2000194341	AAZOHFUSKYRFBH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC(C)(C)C(C)C	2000318018	YUILJAYSVVXFGH-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@H]1CCC[C@@H](C)C1	2000505074	NQDODQDJHCBFQB-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CNCC)C[C@H]1C=CCCC1	2000506689	BMARZHUNFBOQBE-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1CCC12CCC2	2001850978	KDGVGFSXLQPRPA-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H]1CCC12CCC2	2001863648	TYEOOALPJLDCHY-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CCCC(C)(C)C)C1	2002997437	CNYZPTJNWKFQRJ-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CCCC=CCN[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003016635	HHOFOYADWVKMQR-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC1(C[C@@H]2CCCCCC[C@@H]2N)CCCCC1	2003096740	ZTCVCBWPIAVCPP-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H]1CC[C@H](C)CC1	2003102462	CLBQTSIFUBADRY-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](CC2CCC(C)CC2)C1	2006672806	GTRHGKQLMSTTQS-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@@H]1CCCC[C@H]1F	2006739863	CJDAWLYLPACNGO-MGPQQGTHSA-N	242.378	4.546	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)c2ccc(C)s2)CCC1	2006913449	HFWSAQROBSAKKP-ZIAGYGMSSA-N	249.423	4.596	0	10	BJAE	
CCCCC[C@@H]1CCC(C)(C)CC[C@@H]1NCC	2009411437	PVYJPDAEDDZAIX-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC=CCCCCc1ccnc2ccccc12	2009590469	FBISWTOZSKIGCJ-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CC=CCCC[C@@H]1CCC[C@H](NCCC)[C@@H]1C	2009618175	ZSHSGLOSQKSSJI-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@@H]1C(CCC)CCC	2009774786	UUQJZSMZFVOLJN-BMFZPTHFSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(N)CCC(C)(C)C)CC1	2010730160	VMRTVJPAZIJJBY-CJNGLKHVSA-N	237.431	4.667	0	10	BJAE	
CCCCC(=O)CC1=CC[C@@H](C(C)(C)C)CC1	2010785282	WKEGUCHXBRKROH-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CCCNC[C@](CC)(C(C)C)[C@@H](C)[C@@H](C)CC	2012414424	VVIQXPJUDZYYBH-HRCADAONSA-N	241.463	4.721	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2(C)CCCC2)cc1F	2014338598	IVELKDTVBGZKRA-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C[C@@H](C)C(C)C	2015275680	RVHCGSXJDMDNPP-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)[C@H](CC)CC(C)C	2015279702	ZBMPTEMVGKAQIL-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CCCC1CCC(CC[C@H](O)CC(C)C)CC1	2017718862	GYCABPSOVITWMW-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@H](N)C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017728867	PVSKPQHNWQQQKL-AJNGGQMLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(C)(C)CCNC)CC1	2017739237	RFDFKDWJNMIRGD-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(C(=O)C2(CC3CCC3)CC2)sc1C	2017972869	KSGASNIQGOTYPC-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)CC1CCCC1	2018127789	NWCALHJRUXDFLG-GOEBONIOSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@@H]1CCCC(C)(C)C1	2018187773	IAOGHRMDTRFDKN-LSDHHAIUSA-N	239.447	4.856	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCCC[C@H]2CC)CC1	2018923813	HDURRYAZCDFMGD-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@H](C)C(C)(C)CC)C1	2019199866	MVLOTKDBARURSC-RBSFLKMASA-N	239.447	4.712	0	10	BJAE	
C[C@@H]1CCC[C@H](CN(C)CCCC(C)(C)C)C1	2019325543	LYCAKKQYAOEFSC-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
O=C(CC[C@@H]1C[C@@H]1C1CCCC1)c1cccs1	2022556317	FBEUJHNMYXLKFK-CHWSQXEVSA-N	248.391	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H]1CCC[C@@H](C)CC1	2022556371	FMBUBODWYPEMHQ-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2022990278	DBJOXMNGPASQTO-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
O=C(CCCCC(F)(F)F)CC1=CCCCC1	2023321805	JAERYQDQHVCUEI-UHFFFAOYSA-N	248.288	4.569	0	10	BJAE	
CCCC[C@H](O)CC1CC(C)(C)CC(C)(C)C1	2024114524	CGMSLYJXLSXAGD-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCC(O)(CC)CC1CC(C)(C)CC(C)(C)C1	2024120877	ZZNVOKRJTUZFNE-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1CC(C)(C)C1(C)C	2025022155	XUXHFFFQZDXXLK-KGLIPLIRSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)c1ccc(C)o1	2027819648	DRTSFNYVCPGDEE-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CC1(C(=O)c2ccc(C3CC3)cc2)CCCCC1	2028594011	SLEFJAOLHVOVNT-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)c1ccc(C2CC2)cc1	2028594032	SPJBYIFLVQEIOU-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1ccc(C2CC2)cc1	2029077824	KEOYOXMIRGNSIC-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CCC(=O)C1CCCC1	2029173304	DQXPGZUCOQXAPI-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@@](C)(N)[C@H](C)CCC(C)C)cc1C	2029824743	NFYUNXNUQCPBHV-WBVHZDCISA-N	247.426	4.550	0	10	BJAE	
Cc1ccc([C@](C)(O)[C@H](C)CCC(C)C)cc1C	2029837732	PVHCOUGWCCAELS-NVXWUHKLSA-N	248.410	4.583	0	10	BJAE	
CC1(CNC[C@]23CCCC[C@H]2CCC3)CCCC1	2031804708	MIZGRQOVKBOAKL-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC(C)(C)c1ccccc1	2032294887	CEZZQEOTNAJISG-UHFFFAOYSA-N	246.394	4.606	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(N)CC(C3CCCC3)C2)C1	2033781493	GNLHAYKHPGZIBP-PXZKZTPFSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)cc1F	2034265384	UHBKDJCZZJZHEE-IVMMDQJWSA-N	247.357	4.515	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H](C)[C@H]2C(C)C)c1F	2035413113	UVYWOVRFMMXZSH-UXIGCNINSA-N	249.373	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)c1ccccc1C(C)C	2035501223	WERVNKHHHWEXMJ-PBHICJAKSA-N	246.394	4.598	0	10	BJAE	
Cc1ccc(NC2CCCCCCCCC2)cn1	2035889912	FSHXYBBAIIMJIR-UHFFFAOYSA-N	246.398	4.695	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)Nc1ccc2c(c1)CCC2	2036381623	GXTHBTKPDFTWIY-UONOGXRCSA-N	245.410	4.658	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@H](NCCCCC1CC1)C2	2036662461	WUPFUTCBUYCVDM-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@@](C)(N)c1c(C)cc(C)cc1C	2037134875	ZFYGLVPTBHZZNN-QGZVFWFLSA-N	247.426	4.612	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)CCC(C)(C)C2CC2)C1	2037162091	KSSIJFRSUNTHKT-NOLJZWGESA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](CC[C@H]1C=CCCC1)CC1CCCCC1	2038164264	GAPBNWZBQATBRC-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@H]1CCC2(CC2)C1	2038575824	OIXAFVCNJYAGRA-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@]2(N)CCC3(CCCCC3)C2)C1	2040168152	DXISAFOZZLNEQF-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](CC2CC=CC2)NC)CC1	2041379315	KEXSTGPGHDNRPQ-PVAVHDDUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H]2CCCC23CC3)CC1	2041542635	YBVUCBIUCIQLRM-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(C=C2CCC[C@@H](CCN)C2)C1	2043000879	OVVOOIFUMVQVBM-JEYLPNPQSA-N	249.442	4.524	0	10	BJAE	
CC1CCC(C(=O)C[C@@H]2CCC=CCCC2)CC1	2045312228	NEXXBSQNANIFLS-HWOWSKLDSA-N	248.410	4.908	0	10	BJAE	
CC1CCC(C[C@H](N)C[C@@H]2CCC23CCC3)CC1	2047933534	USFSLZSRIJLLJQ-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C[C@@H]2C=CCCC2)C1	2049538514	ZJIBWLNRTORUAE-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@@]2(C)C=CCCC2)c1	2050010140	QQVQAYOEZRHDKB-IRXDYDNUSA-N	243.394	4.556	0	10	BJAE	
Cc1cccc([C@H](O)CCCC2CCCCC2)c1	2050429304	XSSJXKGMGGNFKU-QGZVFWFLSA-N	246.394	4.779	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]3CC[C@H]32)CC1	2052282762	YDXSCOPEEPQOQS-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CCC(C)(C)C)Nc1ccc(C2CC2)cn1	2052662386	DJYAEPIFAZOVEX-GFCCVEGCSA-N	246.398	4.586	0	10	BJAE	
C=CC=CCC[C@@]1(CNCC)CCCCC1(C)C	2053387967	XKUYNIKCGNKWOF-KRWDZBQOSA-N	249.442	4.705	0	10	BJAE	
CN(CCCC1CCC1)[C@@H]1CCCCC12CCC2	2053430290	PFTYAOKYCOGFIE-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@@H](N)c1ccccc1C(C)(C)C	2053925231	QTZCFMSKZQXQRB-DVOMOZLQSA-N	247.426	4.666	0	10	BJAE	
CC1(C)CCC(C)(C(=O)c2ccccc2F)CC1	2056539292	IGQDAHXRCYNGAG-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@H]1CCCCC1(C)C	2056872754	GYXNJRALAWQVKY-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](N)c1cccc(C(C)(C)C)c1	2059256693	RKOFLCRMCBIUPK-JFDDCEBESA-N	245.410	4.730	0	10	BJAE	
CCc1ccc(C(F)F)c(C(F)(F)F)c1C	2060360262	KDZZYOHPSPXOIT-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC1(C)CC=C(C2(N)CC3(CCCCC3)C2)CC1	2061117949	CWITUEDWJYGEST-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C=C=CCCc1ccc(Oc2ccccc2)cc1	2061553432	LFIZVWIOFNDXTC-UHFFFAOYSA-N	236.314	4.753	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC1CC(=C2CCC2)C1	2061697230	YTNMHTJMKUUEKV-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
CCC1CCC(C(=O)CC2CC(=C3CC3)C2)CC1	2061700287	WCOTUOSJTUHJIA-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC=C[C@](N)(CC2CC(C(C)(C)C)C2)C1	2063651084	YAFWINUAFFTKBH-KVULBXGLSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)CC12CCC(CC1)CC2	2065307936	KZIYVIYHJUWNBQ-GNHJJJEISA-N	249.442	4.501	0	10	BJAE	
CCC[C@]1(CC23CCC(CC2)C3)CCCCCN1	2065312712	KWDUNUGHJCOLGM-OFLPRAFFSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H](C)CN[C@H](C)c1cc(C)c(C)cc1C	2066312378	HXEVWMJHQSLAPS-BLLLJJGKSA-N	247.426	4.699	0	10	BJAE	
CCc1cc(N[C@H](C)[C@H]2CCC2(C)C)ccc1F	2068284856	ANKOUMWQVREWBD-BXUZGUMPSA-N	249.373	4.625	0	10	BJAE	
CCCC1(C[C@@H]2CC[C@H]3CCCC[C@H]3N2)CCC1	2069343659	BNIJYHNPQNWSHO-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2(CC3CC3)CCC2)C1	2069515997	VFKCXSHFGUKYOF-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CNc1ccccc1C1(C)CC1)C(C)C	2070282938	SHHGJQPQKSQBBG-CQSZACIVSA-N	245.410	4.832	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@H]1C)[C@@]1(C)CC=CCC1	2070961838	FZKHHGUBGWDOER-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)C[C@@H]1C[C@@H]1C	2071512934	XJJPMUCQSLJNTL-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](N)CC2(C(C)(C)C)CCC2)cc1	2071940098	HOLGBXBQCDEPRN-HNNXBMFYSA-N	245.410	4.601	0	10	BJAE	
CC(C)(C)[C@H]1CCCN1C[C@H]1CCC=CCCC1	2071962895	PIGOALBQPJEOOQ-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@@H]3CC[C@H]32)CC1	2072801764	QQBZQDDIHXUHII-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@]12CCCC[C@@H]1C2	2074026838	XAZWMSCCRYQMTN-RKTXRCNFSA-N	249.442	4.501	0	10	BJAE	
CCCNCC1(C[C@]23CCCC[C@@H]2C3)CCCC1	2074033825	NOGTVVWQQTUSLF-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H]1CCNC2(CCCCC2)C1	2074140543	BZUYXLAFWGSNPM-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@]1(N)C[C@@H]1C[C@@H]1C1CCCCCC1	2079661181	OMJNZGJHCHKBBB-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@@H]1C[C@H]1C1CCCCCC1)[C@H](N)C(C)C	2079700707	KTZGTYJHUXQPSV-IXDOHACOSA-N	249.442	4.523	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@@H]2C2CCCCCC2)CCC1	2079852549	REOYODPULBBJAF-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H]1CCCC[C@H]1CC	2080252149	MHZFSOIDTGTKAP-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCC1(C[C@]2(N)CCC[C@@H]3CCCC[C@@H]32)CCC1	2081135757	FDGHHZKSKBZRBF-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
CCCNC[C@]1(CC=C2CCC2)CCCC[C@H]1C	2081676615	WRYPEUCVYCPICX-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC(=O)[C@H](CC2CC3(C2)CC(C)(C)C3)C1	2082261939	NKKSXNQBUVUEJW-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@H](N)CCC1CC2(C1)CC1(CCC1)C2	2083615803	QAYFWXXKTUSCBP-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CCC/C=C/c1ccccc1)C(F)F	2210663270	ZPRJWZXJCUEXIN-LHXVZLOVSA-N	224.294	4.771	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCCCC1CC1	2211122432	VSFSLHNOGNNWDM-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCCCCCC(=O)CC1(C)CC(C)(C)C1	2211654196	LISWDRLWHZYNGY-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@@H](NCCC)C(C)(C)CCC	2212116718	JOSLJLMYOFYXHV-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
C[C@@H](CCCCCCCC1CC1)C(C)(C)O	2212445547	CHXJWZIEGAUIOE-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](CCCCCCCC1CC1)C1CC1	2216878280	UJMDDQIHTLFNFD-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(COc2cc(C)cc(Cl)c2)c1	2217041641	AEZYGLNMAFTLFH-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCC1CC(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218375911	XXNGBKVJPQSGHZ-PJPMVMIDSA-N	248.410	4.598	0	10	BJAE	
C[C@]12CCCC[C@H]1CN2CCCCCCC1CC1	2218731927	NERFLAQRKKIJNT-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
CC1=CC[C@@H](CN[C@@H](C)C2(C)CCCCC2)CC1	2221619443	QMCPYSRAUGKBSS-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](CNC(C)(C)C)([C@@H]2CC2(C)C)CC1	2221656256	XSVDTJVFUGGPIC-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	2222982930	VGSZLBTUGWAHCV-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@H](C)CC(C)(C)C	2244788233	PDZYBGGEUOYKFL-MJBXVCDLSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCCCCC(C)C	2244796094	LEDGYXXRVIBXCO-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
CCC[C@@H](CC[C@H](C)CCCC(C)C)NC	2244848342	ZGJSVDVTWRYDIY-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@]2(C)CC2(C)C)C1	2246658939	DWYOVYWIBLRVQI-WWGRRREGSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CC=C(C)C)CC[C@H]1CCC[C@H](C)C1	2246677111	AWQPFLPBCKOHHB-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H]2CC(C)(C)CC2=O)C1	2246693669	JZSOTSIXRLKOMC-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](O)(CC)c1cc2ccccc2s1	2246856916	MGZBQUZLVRLMAG-OAHLLOKOSA-N	248.391	4.689	0	10	BJAE	
C[C@H](CCCC[C@@H]1C[C@H]1C)c1ccc(N)cc1	2247113278	CZYYYNAFHGKRLL-UMVBOHGHSA-N	231.383	4.589	0	10	BJAE	
CCC(CC)(CC)[C@@H](C[C@@H]1CCC1(C)C)NC	2247312011	DTKVYQDUAVQCIP-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCNC(C(C)(C)C)C(C)(C)C	2247718094	MSLKYGPZVNBWNM-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H]([C@H](CC)CCC)[C@H](C)[C@@H](C)CC	2250361675	OVYVVCOOJNFTGW-JJXSEGSLSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(C)CCC(=O)C1	2250520982	XQWNQSNXUHJVLU-HOCLYGCPSA-N	238.415	4.988	0	10	BJAE	
CCCC(CCC)CN[C@]12CCCC[C@@H]1CC2	2251138299	KTFLPJSIGUSQHA-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C(=O)C[C@@]23CCC[C@H]2CC3)sc1C	2251198624	XBNLDCGHEFJQTE-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@H](NCC)C1CC(CC(C)(C)C)C1	2251546677	ZRNRSVRTMLOVAH-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CC(C)(C)CCC1(C)C	2251680445	CICQXTVCDIZCGO-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C(=O)CC[C@@H]1CCCCC12CC2	2253855647	NXDYRJFQDDDYJQ-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@H]1CCC[C@H](C)C1)CC2	2253863283	KRTDZCYUNNMPNW-RCBQFDQVSA-N	243.394	4.548	0	10	BJAE	
CC(C)=C(C)CCN(C)CC1CC2(CCCC2)C1	2254073910	WWHJOBCBKBJZGN-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
N[C@H](CC[C@H]1CCC12CCC2)CC1CCCCC1	2255029813	UUBXJSHDLYRCEK-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)CC[C@@H]2CCCC23CC3)C1	2255246318	OASNNIYMHMTSQX-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)CC[C@@H]1CCCC12CC2	2255325454	AHBAIFHJUQUGTR-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(N[C@H](C)[C@@H]2CC23CCC3)CC1	2256439167	WRUJAGQUUJOGIZ-LMPOIIKSSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@]12CCC[C@@H]1CC2	2260584006	SHJSRLPMTRLAGE-WBTNSWJXSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@]12CCC[C@H]1CC2	2260673518	SEGVBSFVMIMILD-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2260673640	SHQQKVOVPMAPGD-NCOADZHNSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](C)C(=O)Cc1cccc(C(C)(C)C)c1	2261361495	FQGPADWBEKBKFO-ZDUSSCGKSA-N	246.394	4.532	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@H](C)CC2CCC2)CC1	2298894396	YCJXMBSMHXEYSG-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCCC[C@@H]1CC	2300704514	RXQDYKLDIYCZIV-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1C[C@H]1CCC	2300883005	ZSGTVCVFLYTHHE-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)CC2CCCCCC2)CC1	2301145078	KQBCFQORUGIVDB-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](CC2CCCCCC2)C1	2301241872	MVDDRQHUBOPGMV-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)CC1CCCCCC1	2301243133	ZDNHEYISDMKQTR-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@H](C)[C@@H](C)C(C)C	2301957988	GYKBGRIXADUFQO-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)C1(C)CCCCCC1	2301958894	OKXVFNZMPJQGQN-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]([C@@H](C)[C@@H](C)C(C)C)[C@H](C)CCC	2301959273	RLGWPHVVYVEOEC-FXUDXRNXSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1[C@@H](C(=O)CCC2CCCCC2)CC1(C)C	2302080786	VDGNRVAFMMEQEW-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC[C@@H]1C[C@H]1CC	2303587568	HZRSRJVGUTVUHP-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CCCC(F)F)CC1	2303601429	FFMAGKFWVQQNBH-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
CC[C@](O)(CC[C@@H]1CCC(C)(C)C1)C1CCC1	2304400425	WGOSBUSYGRZVGR-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@H](C)CCC[C@H]1CCC(C)(C)C1	2304408763	BMOMWFRUZSBLDD-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCN(CC[C@@H]1CCC(C)(C)C1)[C@H](C)C(C)C	2304414804	CHMKUZFINWXMRE-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC1(C)CC[C@H](CC[C@](C)(N)C2(C)CCC2)C1	2304448159	VPWXLRGNUGEPPB-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC2(C)C)c1F	2307573834	LJIPYNANQUSIQL-CYBMUJFWSA-N	235.346	4.550	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1cccc(C)c1C	2307893225	HNKKQUJGCVLTGX-ZBFHGGJFSA-N	233.399	4.520	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)CCC1=CCCCC1	2307901110	HPXPVFQLJNIKBB-GDBMZVCRSA-N	237.431	4.811	0	10	BJAE	
CCC[C@H](CC)CN(C)CCCC[C@H]1C[C@H]1C	2307904265	TUBCPYABSLTLAA-PMPSAXMXSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C12CCCC1CCC2	2307907700	DHHCISMUUHICSM-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@H](CC)CC(C)C	2307911603	WRKLMAFMAWCZFC-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]2CCCCCC[C@@H]21)C1(C)CCC1	2309528479	WUWIMNLINGGILV-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)C[C@@]12CCC[C@@H]1C2	2310386674	GPXBEYNKQZHLEM-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC[C@@]12CCC[C@@H]1C2)CC1(C)CC1	2310390048	LKVFAAZSCVWHNX-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1C)CC1=CCCCC1	2312457032	OQOAMSKUKGDVGF-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@@]12CCC[C@@H]1CC2	2313314341	BTVWFGNOJGTVIY-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CC(=CCN[C@H]1CCC[C@@H](C(C)C)CC1)C1CC1	2315267469	ZLMQDJDJJLHJHE-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCc1ccoc1C	2315890230	ZNECDDOEAHNBPR-UHFFFAOYSA-N	243.350	4.632	0	10	BJAE	
CCC(CC)CC[C@H](NC)c1cccc(C)c1C	2316249302	YNVMQMXOSAJDCT-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCC(C)=CCC1(CNC2CC2)CCC(C)CC1	2316487646	DFDPWEWRZNNOCG-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316790970	LEVKCOSJJUJHJC-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1ccc(F)cc1C1CC1	2317105261	IXQXGTGFPJYQNH-NSHDSACASA-N	248.341	4.568	0	10	BJAE	
CN(CCCC1=CCCCC1)C1CC2(CCC2)C1	2318595261	NUTUFEOYTKUQAI-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
N[C@@H]1CCC[C@H]1CC[C@@H]1C[C@H]1C1CCCCCC1	2319010916	UPBZTAZHWMSODB-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C[C@H]2CCC23CCC3)C1	2319292493	GDFXQTKLXBURCB-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@@H]2CC[C@H]2C2CC2)C1	2319748587	KKFURXZLQWJRJO-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CCC1(NCC[C@@H]2CC[C@@H]2C2CC2)CCCCC1	2319749438	NGBNFTAKYJQROZ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H]1CC[C@@H]1C(C)(C)C	2320210374	BNZMHSKENRJACY-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CNC[C@@H]2CCCC2(C)C)CC1	2320413926	VJBYISZOWOXCJM-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@](N)(CC)Cc1cccc(C(C)C)c1	2320641831	HEGZSKHKXRBVCJ-QGZVFWFLSA-N	247.426	4.650	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H](CC2CC2)C2CC2)C1	2320697912	YTOQWFOBOJSIIG-KCXAZCMYSA-N	248.410	4.598	0	10	BJAE	
CCCCCCc1ccc([C@@H]2CCCCN2)cc1	2327904250	ZPHDGWWRVFYYDZ-KRWDZBQOSA-N	245.410	4.624	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1ccccc1C(C)C	19993719	VRZCYUWQFPETOU-STQMWFEESA-N	219.372	4.657	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)CC(C)(C)C)cc1	21055337	QNWJQWKHWFGWPH-SWLSCSKDSA-N	233.399	4.636	0	10	BJAE	
C[C@@H](Nc1ccccc1F)c1cccc(Cl)c1	21818299	JBZYHGPUVKLFGT-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)CCC(C)C)s1	22149483	QYBQTGLJPDAJRU-DGCLKSJQSA-N	239.428	4.532	0	10	BJAE	
CCCCN[C@H]1CCCC[C@@H]1C1CCCCC1	34994625	NRRPKUKNWVKCMA-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1cccc2ccccc12	54439193	PHWDOIVEMUYAHO-DYVFJYSZSA-N	241.378	4.537	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)c1ccc(C)s1	68987104	KVVDDECWQWYONL-CHWSQXEVSA-N	239.428	4.676	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2sccc2C)cc1C	70089715	JENJOUPCUUCXNS-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CCCCC[C@H](O)c1ccc(F)c2ccccc12	70373653	XSNKTZWGFUHWBA-INIZCTEOSA-N	246.325	4.593	0	10	BJAE	
CCc1ccc(CC)c([C@H](CC(C)(C)C)NC)c1	70440654	OBGMHERMLGDGML-INIZCTEOSA-N	247.426	4.508	0	10	BJAE	
CC(C)(C)C(=O)c1ccc(C2CCCC2)cc1	75855035	SICMVXPKNSTYEA-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC(=O)[C@@H](C)Cc1ccc(C2CCCCC2)cc1	82552045	RQBGJGDWGPZKHY-ZDUSSCGKSA-N	244.378	4.502	0	10	BJAE	
CCCCCC[C@H](N)C1CCC(CC)CC1	83778290	AVPZDGHOYPLJIP-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Oc1cccc(Cl)c1	85150578	CAGVCXJCHZPDCJ-SMDDNHRTSA-N	238.758	4.688	0	10	BJAE	
CCCCCOc1ccccc1C(C)(C)C	85151763	YVKRKTKYLXHSPN-UHFFFAOYSA-N	220.356	4.553	0	10	BJAE	
CC1=CCC[C@]2(C)CC[C@H]3C(C)(C)C[C@]132	86035230	WHXUZXDWQKUIJL-CFVMTHIKSA-N	204.357	4.559	0	10	BJAE	endogenous,in-man
CCCCc1ccc(N[C@H]2CCC[C@@H]2C)cc1	86671560	YIUUTBLEKGYEQF-BBRMVZONSA-N	231.383	4.630	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC2CCCC2)CC1	86939014	HTGSYIDAZLVDDL-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CC2CCCC2)CC1	86940710	BRBAQJYRKYLYIT-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)Cn1c(C)nc2ccccc21	94165906	BMIDJVNTZNJFFK-CQSZACIVSA-N	244.382	4.561	0	10	BJAE	
CC[C@H](C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	94546983	QBPDOPDAGCLZRS-OLTKYNOGSA-N	248.410	4.598	0	10	BJAE	
CCCCCCNc1ccc(C)cc1OCCC	103990440	PILQQNIATBIWGT-UHFFFAOYSA-N	249.398	4.776	0	10	BJAE	
C/C=C\C[C@@H](C)c1ccccc1Br	107495561	ZHZRNMYBZLYEQM-UMBAGQNISA-N	239.156	4.519	0	10	BJAE	
Cc1cc(Oc2ccccc2)ccc1CCCF	107617584	IYEFXSJIFMOZHA-UHFFFAOYSA-N	244.309	4.689	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)Cc1cccc(C)c1	109713409	TULYMLIYGBHFIY-DOTOQJQBSA-N	248.410	4.505	0	10	BJAE	
CCC[C@@H](CC)N[C@H](CC)c1ccc(C)cc1	109944740	HRAUJDJSXWUQRQ-HZPDHXFCSA-N	233.399	4.614	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)C1=CCCC1	110230492	NTCCZFAYDAVTEC-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCC(CC)[C@H](C)NCc1ccc(C(C)C)cc1	111664019	FHXYTRUXWMKUNV-AWEZNQCLSA-N	247.426	4.724	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H]1C[C@H](C)CC(C)(C)C1	111666091	WXSADFVJHQLBOU-GZBFAFLISA-N	239.447	4.616	0	10	BJAE	
CCc1cc(C(C)(C)C)c2occ(C)c2c1	131550233	STRHOIFMQFLMLO-UHFFFAOYSA-N	216.324	4.601	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](NC)C1CCCC1	133067957	RSTGWZBWIXCGEQ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCN(C)CCC(CC)CC	147245515	HOPPMDPBFZQQCH-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC(C)(C)C[C@@H]2C)c(F)c1	155849561	JMOOKOFESAULOV-GXTWGEPZSA-N	249.373	4.761	0	10	BJAE	
CCCCC[C@H](N)C1CCC(CCCC)CC1	159588209	BTFVPYUZKDNGNI-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
CCCCC1CCC(C(=O)C[C@H](C)CC)CC1	165095732	XNDHMUMTZKAZKI-WLYUNCDWSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1C(C)(C)C1(C)C	167134575	NXFUCMIWTXDZCF-CHWSQXEVSA-N	240.431	4.636	0	10	BJAE	
CCCCCC(=O)c1c(Cl)cccc1Cl	167976977	DYDBOXTWEAHIRN-UHFFFAOYSA-N	245.149	4.756	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCCC[C@@H]1C(C)C	214434409	SKBHMKKNGLPKJY-GDBMZVCRSA-N	231.383	4.622	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(O)CC1CCCCC1	214799585	NZHFGMNOVPDAKO-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC)c1cc(C)c(Cl)s1	226675991	ZOKYWIOLSVGGAZ-JTQLQIEISA-N	245.819	4.551	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@H]1CCCC1(C)C	226819302	TYABWVNLSTXTOK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)c1ccsc1C	227789832	SAYYJHFPRIFDTO-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@H](c1ccsc1C)C(C)(C)CC	227898484	VJGMLQMBVJSXAH-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCCCCN[C@H]1CCC[C@@H](CC(C)C)C1	230766324	JYKHJXPUPGXZQE-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)C1CCCCCC1	236307653	MKKFIBZIMBPHKQ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)CNCCCC(C)(C)C	300945849	WPYGEOVDYMIWTA-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H](C)CC(C)C)c(C)c1	302369767	OMPVRRUHBWMCGC-LBPRGKRZSA-N	246.394	4.867	0	10	BJAE	
Cc1ccc(C)c([C@](C)(O)C[C@@H](C)CC(C)C)c1	302403423	RWIGQTSIFURNDT-WMLDXEAASA-N	248.410	4.583	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc1C	305951563	CYLKITFCZBXGHD-HACGYAERSA-N	245.410	4.794	0	10	BJAE	
CSc1cc2cc(Cl)sc2cc1Cl	306594618	JRUQBOFEPBYHIF-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
Cc1c(Cl)ccc2c(C(F)F)csc12	306615492	PJUFCPYIWXSCNG-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCCCCC(=O)C[C@H](C)C1CCCCC1	310565854	LRUSWQFWVQVVKJ-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](N[C@@H](C)c1cc(C)ccc1C)C1CC1	310681014	RUGMGKMLVUCBOS-YOEHRIQHSA-N	245.410	4.533	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CC1CCCCC1	310817229	HMUIXTLWLYYGRG-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CC1(C)CCC(C[C@@H]2Cc3ccccc3N2)CC1	311003864	NSKRHDXICLYCQG-OAHLLOKOSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@H](CCC)C1CCCC1	313455405	XHYFKIKFIBPAKR-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](N)C(C)(C)C1CCC1	322896777	BXUUGTIOPQIPLT-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC2CCC1CC2	381993153	KUDKWGGPMJHHOV-BCLQGDPASA-N	243.394	4.548	0	10	BJAE	
C[C@H](C[C@]1(N)CCCC1(C)C)C1CCCCC1	383741100	CGIBGRTYBLYJRN-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C[C@@H](C)C1CCCCC1)NC	383747008	DFNUCVJFRJZTIC-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@](C)(CC)CC1CCC(C)(C)CC1	383909346	OUNAIXIFFGENJW-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(N)CCCCCCC2)C1	383956461	WZILXKSJSVNOIS-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)[C@@H](C)CC(C)C	385328928	BKELWFJLGNYXOM-WMLDXEAASA-N	247.426	4.753	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1Nc1ccsc1Cl	387306050	ZKJIFNLKHAOHAD-JZYVYDRUSA-N	243.803	4.638	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1C[C@@H]1CC(C)C	388265558	VICXZRDBWUGKBZ-GJZGRUSLSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](c1ccccc1C)C1(CCC)CC1	393980336	YZJZFRAVQQXNMS-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(F)cc1C	395112492	CWPUDGVRSDRSTO-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CCc1cc2c(C(F)F)c(S)ccc2s1	396233326	BNNSWEDJPMQPFF-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CC(C)[C@H](N[C@H](C)CCC1CC1)c1ccccc1	398054030	XRIGHPOSWRDJEI-PBHICJAKSA-N	245.410	4.552	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C[C@@H](C)C1CCC1	398621724	FUVRWNBWUPVCDV-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C/C(=C\CCNC(C)C)CCC(C)(C)C1CC1	405957337	LUMMMPCFEAGCCQ-VGOFMYFVSA-N	237.431	4.537	0	10	BJAE	
CCCC1(CNc2ccc(C(F)F)cc2)CC1	687540837	IVRZDGGNBZHXQV-UHFFFAOYSA-N	239.309	4.616	0	10	BJAE	
CC[C@@H](CC(=O)C1(CC)CCCC1)CC(F)F	688823002	DZWKKJOLUBBHJL-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C2(C)CCCCC2)c1	688935812	JXUVKMNQWAZIDP-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CSC(C)(C)CCNc1ccc(C2CC2)cc1	690116724	ABSPNXDBZDXUJC-UHFFFAOYSA-N	249.423	4.508	0	10	BJAE	
CCC1CCC([C@]2(O)CCCCC[C@H]2C)CC1	691183045	FWVBWOZPLITEIM-LMPOIIKSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCC12CCCCC2	693816189	TYLRWEFOMUVIOY-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)C(C)(C)CC	695101643	WEJYDKRRTXOYDC-KBPBESRZSA-N	227.436	4.760	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1cc(C)c(C)s1	696565171	CKXYJRNFQMRFPY-GFCCVEGCSA-N	240.412	4.615	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CCC(C)(C)C	697753479	ZDFPRBMWQFVAFK-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCc1cccc(CCC=C(C)C)c1	698082299	DYFWUQOMKBVHPS-UHFFFAOYSA-N	202.341	4.538	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCCC2(C)CC2)CC1	698177370	SFZPKDPNKMIJAE-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C[C@@H](CC)CC(F)F)NCCC	701561610	NQOBCGGQPXEETB-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2C=CCCCCC2)CC1(C)C	702215113	MRSCJDNYOAMHFH-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@@]1(C)C[C@@H]1C	704323927	ZAYCISNNXKCMNU-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@H]1CCCC[C@@H]1C	704880224	VTWZHTFCAAYQCD-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(N)CC1CCCC1	704915243	RQEDBAGTRXTOQU-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC[C@H](C)C1)C(C)(C)C	704916419	WVISJJZBZYFPLK-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1CCC[C@H](C)C1	704980145	SSYHPIYHOHDRKG-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@@H](C)C1CCCCC1	710027955	ZAMJJEOXSGHEDA-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CCCC[C@@H]1C1CC1	710135635	HEWUAAPGPZYNNK-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1csc(C)c1	710757515	GNNLLRYATQGBBL-JSGCOSHPSA-N	237.412	4.827	0	10	BJAE	
CC[C@@H](C[C@H](N)c1csc(C)c1)C(C)(C)C	711101684	CVIFPIXESWWFFK-STQMWFEESA-N	239.428	4.519	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1C[C@H]2CCCC[C@@H]21	712381787	CHNXWESVCHOINF-OSAQELSMSA-N	249.785	4.639	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@H]21	712424203	ZCORMPNMEJBPBU-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
C=C/C=C/CC[C@@H](CCCCCC)NCCC	713687887	VVZHOADUQLVYQA-DYLHUKMJSA-N	237.431	4.847	0	10	BJAE	
CC(C)=C(C)CCNc1ccc(Cl)cc1C	718624987	UPANQPGZSRERQC-UHFFFAOYSA-N	237.774	4.807	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(O)CCCCCC1(C)C	719270575	STFSMFTYLTZJMC-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC(COc2cccc3ccccc23)C1	723559448	HMBLCGCDFKPVDZ-UHFFFAOYSA-N	240.346	4.655	0	10	BJAE	
C[C@H](N[C@H](C1CCCC1)C1CC1)C1CCCCC1	723959369	IRVHLEBIHIGHDT-SUMWQHHRSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)Sc1nc(-c2ccccc2)co1	1559404707	CXMJJXUCMBZBKH-NSHDSACASA-N	247.363	4.622	0	10	BJAE	
CC(C)CCN1C[C@@H](C)CC[C@@H]1c1ccccc1	1643044342	GVOAGOBWUDQIQQ-DOTOQJQBSA-N	245.410	4.506	0	10	BJAE	
CC(C)(C)CCC[C@](C)(O)C1(Cl)CCCC1	1901847762	HGKTXRZDSUKHDU-ZDUSSCGKSA-N	246.822	4.505	0	10	BJAE	
CCc1cscc1N[C@@H](CC)[C@H]1CC1(C)C	1902380558	DGYSHWUTPAFJCN-NEPJUHHUSA-N	237.412	4.547	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1scc(C)c1C	1905430416	AYXBENMGAGJNIX-CHWSQXEVSA-N	239.428	4.581	0	10	BJAE	
CCC(C)(C)CC[C@](N)(CC)c1cccs1	1920208588	UYDRSQXFDXTMSM-CQSZACIVSA-N	239.428	4.529	0	10	BJAE	
CCCC1CC([C@H](N)CCCCCC(C)C)C1	1921259845	RAAVJQGLOXPJSO-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCCC1CC(C(=O)[C@@H]2CCC[C@H](CC)C2)C1	1921278646	YLYAZTYNVXBWPU-FGZQJIAISA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@@H](O)[C@H](c1ccccc1)C(C)C	1921305822	RQEFNNBFJZYIRF-CVEARBPZSA-N	248.410	4.613	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@]1(CN)CCCC12CCC2	1921656107	CVMMRRQDROWWLF-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CCCCCC[C@@](C)(C(=O)O)C1CCCCC1	1923894530	AVFPSUKTVSFGOY-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@H](C)C1CCCCC1	1924147507	FXLQDILDYMERNM-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
NC[C@@H]1CCCC2(CCC2)[C@@H]1CCCC1CCC1	1924897076	QYIRSYMOERHUKX-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2C=CCCCC2)C1	1925820759	RHXYIIOTZHPBQY-QLFBSQMISA-N	206.373	4.949	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CCCC1(C)CC1	1935924147	NSXFMRRQMMUSSQ-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)[C@@H](CC(C)C)C(C)C	1936212609	OTBCMSKFEFNLNP-MJBXVCDLSA-N	226.404	4.556	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)CCCC(C)(C)C	1940242239	ARGYNWDHDAXAGB-MRXNPFEDSA-N	242.447	4.882	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)C(C(C)C)C(C)C	1940243046	JJXBUWNEMUBXPA-MRXNPFEDSA-N	241.463	4.848	0	10	BJAE	
CCC1CCC([C@H](N)CCCC2(C)CC2)CC1	1940876932	NXZLOJUZSFJNLV-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C(=O)CCC[C@@H]1CC1(C)C)C1CCC1	1940877723	SCYIXGCRETVMAQ-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)CCC1CCCC1	1940879750	YMRJJJVEULQFFI-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@](C)(F)c1cccc(N)c1)C(C)(C)C	1940980266	PUNBCSKDNFNSFY-NHYWBVRUSA-N	237.362	4.526	0	10	BJAE	
CC(C)(C)C1CCC([C@H]2CCCCC2=O)CC1	1941154727	ISWMFKRWSSDRED-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)[C@H](CC(C)C)C(C)C	1941266191	AXZFJRVUZVEQDP-XHSDSOJGSA-N	241.463	4.704	0	10	BJAE	
CCC(CC)(CNC1CC1)[C@@H](C)CCC(C)C	1942655894	KRTNFGQIEHCVRW-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(CN)CCC=CCCC1	1942657641	FPCJFAVKWIIMLB-JKSUJKDBSA-N	237.431	4.524	0	10	BJAE	
CC[C@@H](C)c1csc(CC(C2CC2)C2CC2)n1	1944586029	NWWXYHOZEXXTKP-SNVBAGLBSA-N	249.423	4.635	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](N)CCC1CCCCC1	1944846493	PMRLKHJBQPMYIQ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC(F)(F)CC[C@@]1(O)CCCCCC1(C)C	1947888897	PINQCJSCXIUXGB-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
Cc1cccc(N[C@@H](C)[C@@H](C)CC(C)C)c1C	1948324437	ZJVYHAIZSOEXCN-ZFWWWQNUSA-N	233.399	4.786	0	10	BJAE	
CCC1CCC(N[C@H](C)[C@H](C)CC(C)C)CC1	1948328680	VQXAGXQJFKGSQK-WXLSXGNJSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C(CC)(CC)CC	1948931187	VGWDFBXLCHDKOO-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@H](C)CC)CCC1(C)C	1949654229	RTSRUCNDXZALIA-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CC1CC(C)(C)C1	1949735393	CMKCWNJHHMNGAQ-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)c1ccc(C)c(C)c1	1968702344	MSEOOFHIJYSFCB-NVXWUHKLSA-N	247.426	4.923	0	10	BJAE	
CCC[C@H](NCCC12CCC(CC1)C2)C1CCC1	1973949746	YJYMYBXCYDTEDQ-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](n2cccc2)CC1	1976403855	YBDGOCJCAHPEFV-UONOGXRCSA-N	219.372	4.656	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cc(C(F)F)cs1	1977077861	DPHJZGRBAQTMCQ-JTQLQIEISA-N	248.338	4.545	0	10	BJAE	
C/C=C/CCC[C@H]1CCCCCCCC1=O	1984589645	RWOQGWHMOUZXIL-HSWBROFVSA-N	222.372	4.662	0	10	BJAE	
CC=CCCCc1cccc(C(F)F)c1F	1984614439	MBLWMYJVXSEEPX-UHFFFAOYSA-N	228.257	4.662	0	10	BJAE	
CC(C)=C(F)C[C@@H]1CCCCCCCC1=O	1989652270	UBAQAZGHAGMWPD-LBPRGKRZSA-N	226.335	4.570	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C1CCCCC1	1995214349	LHHRTFSZYWZBRG-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1cc(C)cs1	1995258745	HHUDEHYRKHOVPD-WCQYABFASA-N	240.412	4.696	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@@H]1CCCC(C)(C)C1	1995834211	BCSNDWIOVMEMRS-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CCC/C=C/CNc1ccc([C@H](C)CC)cc1	1995868101	VPTFWLDABOJMRI-HSBSLETESA-N	231.383	4.968	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@@H]1CCC[C@H](C)C1	1996618828	XSXTYNGFIILFEZ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C(=O)[C@@]2(C)CC=CCC2)CC1	1997607556	VNJGRHOASTVBNM-XUJLQICISA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2CCCCCC2)C1	2000101026	XTIIQWPESZDWCA-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1C(C)=CCC[C@@H]1C	2000345407	ZLJZWALIYDKXMP-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](C)(CCCCCF)CNCC(C)C	2000518824	SNPMSRFOCVZHST-OAHLLOKOSA-N	245.426	4.568	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@@H]1CC12CCCCC2	2001264014	VYSMIDUNDHLTGG-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
Cc1csc(C)c1C(=O)C[C@H]1CCC12CCC2	2001851830	QAFRVXBBMAUHLJ-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCC[C@@](O)(CC)C[C@]1(C)CCCCC1(F)F	2002585378	AMYUMCKMQNMBCP-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)C1CCC(CC)CC1	2002922714	CGWVMCYYBOOWON-SLTXQBBLSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)[C@H]1CC[C@H](C)CC1	2003066691	HAHOLLGPCARJFF-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CCCC2(CC2)C1	2003189337	BBYZXBKZVNHQJP-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
Cc1ccccc1C(=O)CCCCC1(C)CC1	2003651821	HABGTYNJSWPWCL-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCC(C)(C)[C@H](NC)C1(C)CCC(C)(C)CC1	2007699226	WVOAUIVKKBAPHZ-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H](N)C1(C)CCC(C)(C)CC1	2009590365	GMXFUMUZKZVVLY-CQSZACIVSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@@H](O)C1(CC(C)C)CCCC1	2009592266	LYFGBTWANBQNGE-MBVDDHJVSA-N	238.415	4.700	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2CC[C@H](C)C2)C1	2009788211	VNDMLBOILRGCAR-FXQLRMTLSA-N	237.431	4.501	0	10	BJAE	
CCCCC1CC(N[C@H](CC)C[C@H](C)CC)C1	2009791640	ORFBEENMHJDWIG-YHNBSYBMSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C1=CC[C@H](CC)CC1	2010729978	UAPZTXLJHJVVOA-OFQRWUPVSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](C)[C@](CC)(CNCC(C)C)C(C)C	2012417366	SJDKRTXEPACASX-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CC[C@](CCCC1CC1)(CNC(C)C)C(C)C	2012427724	XDJFWIVIQBLLOG-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CC(N[C@@H](C)C2(C)CCCC2)C1	2014337107	IMGHEXIRBCRZSY-NFOMZHRRSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC([C@](C)(N)C[C@H](C)C(C)C)CC1	2015409818	AYZGOUKDRQPCQO-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CC(=O)C2CC(C(C)C)C2)CCC1	2015595910	OQHMODCFSSLHQM-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@@H](N)C1(C)CCCCCCC1	2016459547	FKRUHMGYBOEMLB-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC1(C(=O)CC2(C(C)C)CCC2)CCCC1	2017126923	HNQXXTVHGZPYKB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2C=CCCC2)CCC1	2017133886	YTBANYSWFZXXCD-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)C(C)=C(C)C	2017476648	ZGZGPWJFLDTIQH-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@H]1CC[C@H](CC)CC1	2017652416	GNMHBADLDSIVSU-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(C[C@H](NC)C(CC)CC)CC1	2017730133	DGLMBUCSIPOMEN-XUJLQICISA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@H]2CCCC(C)(C)[C@@H]2N)CCCCC1	2020361359	OXQRNEXITPTXBB-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)n1[C@H]1C[C@H]1C1CCCCCC1	2022442969	MXZNTVLOSREUFX-HOTGVXAUSA-N	231.383	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H]1C[C@@H]1C(C)(C)C	2022593135	UVWGNSPLEVFNBM-LJISPDSOSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCC[C@H]1C[C@H]1C	2023326216	BPUNFYOSSMVJMW-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]1[C@H](CC(CC)CC)CCC[C@H]1C	2024001690	UAVHUZGHYXANCN-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCC1CC(N)(C[C@H]2CCCC(C)(C)C2)C1	2024093893	FWJRBWXOKNBBLX-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(C[C@@H]2CCCC(C)(C)C2)C1	2024096495	VGCKNJREYFMFCU-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c2cc([C@@H]3CCC3(C)C)[nH]c2c1	2024288081	XZSCEZULAVQJTA-ZDUSSCGKSA-N	227.351	4.688	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@@H](C(C)C)C2)c1	2025572120	OKEXOFWRCBNNQT-HUUCEWRRSA-N	231.383	4.540	0	10	BJAE	
CSc1ccc(N[C@H]2CC[C@@H](C(C)C)C2)cc1	2025574090	DJSBTOKZMSSBFP-OCCSQVGLSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1Cc1nc(C2CCCCC2)cs1	2026597099	JUZMCVGGUYPICZ-YPMHNXCESA-N	249.423	4.779	0	10	BJAE	
C[C@@H]1CC[C@](CCCC2(C)CC2)(CNC2CC2)C1	2027820054	GEAHZIVFXGDMQL-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1CCNc2ccccc21	2027835287	AESLMUFCOGDCDI-KGLIPLIRSA-N	243.394	4.802	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC1(C)C)c1ccccc1	2027843444	QRAUMEPRUABLDK-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
CCC1([C@H](O)c2cccc(C3CC3)c2)CCCC1	2028548803	HDWBRMQRJGIRIT-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
C=CC=CCC[C@@H](O)c1ccccc1C1CCC1	2029076785	BVTZRNKRIBRQDP-QGZVFWFLSA-N	242.362	4.510	0	10	BJAE	
C1CCC(CNC[C@]23CCCC[C@@H]2CCC3)CC1	2031808562	LSLQCTOFIJEMGF-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CCC[C@H]2C)c(C)c1	2032479078	BMRRUOBDHNIKHH-IUODEOHRSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CC([C@]2(CNC(C)(C)C)CC=CCC2)C1	2036180307	QCZLONDQVLPPPR-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)C1(CCC3)CCC1	2036542515	LTWGLVABYCDZHI-UHFFFAOYSA-N	239.362	4.543	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)([C@@H]2CCC3(CCCC3)C2)C1	2037686711	ODHVHHZBFRRNMF-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)[C@H]1CCC[C@H]1C3	2038552384	IUUQQDIJXKUBCN-STQMWFEESA-N	239.362	4.731	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@@H]1CCC2(CC2)C1	2038573987	BQXOZLGINHOXCB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CCNC2C[C@H]3CCC[C@@H]3C2)CC1	2038614205	LUQSZUBQOXTEHY-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CCCC1(C)CC1)C2	2038896130	ZUHVEZCQLDXESZ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)(NC[C@@H]1CC12CCCC2)C1CCCCC1	2039091589	JROCNPAJOMUQKL-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CCCCC1)CC12CCC(CC1)C2	2039415284	KBFFCWYNFQMWNP-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(F)c1N[C@@H](C)C1(C)CCCCC1	2039862295	MVPCAVHILDYHLA-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@]2(N)CCCC23CCCCC3)C1	2040165751	KHPLWVZAJFUTBT-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)CC2=CCCCC2)o1	2043189819	DRKIEJSULMLXJA-JSGCOSHPSA-N	247.382	4.518	0	10	BJAE	
CCN[C@@H](CCC1CC1)C[C@@H]1CC12CCCCC2	2047011796	LXDKBPSIHISAHD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@H]1CC12CCCCC2	2047020304	OQWSFRBGDNBQIN-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2047339928	IDHAQTOPTJBLHI-GBJTYRQASA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1[C@@H]2CCCCC[C@@H]12)C1CCCCCC1	2048454228	SBEIOUDVUJVOGO-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(OC[C@H]2[C@H]3CCCCC[C@H]32)c1C	2048478542	JRPUBNDSEZLXNM-MUJYYYPQSA-N	244.378	4.509	0	10	BJAE	
CC(C)(C[C@H](N)C[C@@H]1CCCC2(CC2)C1)C1CC1	2049851269	CXRMUDWCCFTNIE-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC(CC)CC)c1ccc(C)cc1	2050429760	IPPMZKWMZPLYDH-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCCC(CCC)[C@@H]1Nc2cc(C)cc(C)c2O1	2052184551	BMXOSVZRQDNYRW-MRXNPFEDSA-N	247.382	4.650	0	10	BJAE	
Cc1ccnc(NCC2(C)CCCCCCC2)c1	2052513986	ZOUNTRAEIFRSPX-UHFFFAOYSA-N	246.398	4.553	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@@H]1CCC[C@@H]1C	2053924705	PTLHXCWJOSOGIX-ZQIUZPCESA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@@H](C[C@H]2CCC=CCCC2)C1	2055038636	JVLKCJVTIRGSAS-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1CCCC[C@@H]1C(C)(C)C	2055671005	CROHLFSDYRQJLC-HRCADAONSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC1CC(C2CC2)C1	2056665846	JCJGXOCABDIHGY-PESDSKBTSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C1CC(C2CCC2)C1	2057497716	LBFHQECJAIJQBP-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](N)c1ccccc1CC(C)C	2059254245	YAMYFPNMPIBKSD-KRWDZBQOSA-N	245.410	4.631	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12C[C@H]1CCCC[C@]1(C)C2	2059468759	CNFWAOJOKVDUFK-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(Cl)c(C(F)F)cc1SC	2060054965	JERQHWYNXCDAAF-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CN[C@H](C1=CC[C@@H](C)CC1)[C@H]1CCCC(C)(C)C1	2060922211	QDOCNRIYWZJBNA-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C1=CC[C@H](C)CC1	2060931099	XPLFJNNNVMDNTK-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@H](CC2CC(C)(C)C2)NC)CC1	2061138814	AJGCVPGQJXBMQP-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)C[C@@]12CCC[C@H]1C2	2061611099	DUOVDGVIPHZHTD-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(NCCC[C@@H]2C[C@H]2C)cc1	2062652062	MULMHTIZJMRXPP-GDBMZVCRSA-N	245.410	4.877	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063417764	FHSMYLZHGDFUBV-XMQYKBBCSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1C[C@@H](C2CCCCC2)CC2(CCC2)C1	2063637959	OQTRFOXKOKZCLJ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H]1C[C@H](CCC2=CCCCC2)CC(C)(C)C1	2063640397	SRVDQSVICQCTBN-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H]1C[C@@H](C[C@H]2C=CCCCC2)CC(C)(C)C1	2063642158	PFKYHWZELYKFHQ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(CC23CCC(CC2)C3)C1	2065335722	SCGWFQVNEJRQDJ-VFNXUKNFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CC23CCC(CC2)C3)CC1	2065337652	BQSSCWJXHPZKLA-RDHHWEPZSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc([C@](C)(O)CC(C(C)C)C(C)C)cc1	2068845279	SPPRRIKIEVOOHW-QGZVFWFLSA-N	248.410	4.521	0	10	BJAE	
CC(C)C(C=C1CC2(CCC(N)CC2)C1)C(C)C	2069001090	BUUXDHQRRQJKII-UHFFFAOYSA-N	249.442	4.523	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)CC1	2069504447	ATTVDJUBNYAFOB-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(CN)(C[C@]23CCC[C@H]2C3)CC1	2070968194	SICJWWPKVSQJCV-ODZFXCKXSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2072702888	SBZAYGBNEIXOKB-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@@]12CCCC[C@@H]1C2	2074032453	FOZSXSHWGURIOJ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)c1ccccc1	2074643385	DYULYFSWLRTVMZ-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CC[C@H](C)[C@H](C)N1CCCC[C@@H]1c1ccc(C)o1	2075203297	NYMGDGFMZCPHLJ-AEGPPILISA-N	249.398	4.550	0	10	BJAE	
CC1(C)CCC[C@](CN)([C@H]2C=CCCCC2)CC1	2075372663	ILOAYVVBJAEIBL-RDJZCZTQSA-N	249.442	4.668	0	10	BJAE	
C1=C[C@H](N2CCC3(CCCCCC3)C2)CCCC1	2075403320	JSZSPUGHXFJODN-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CN[C@H]1[C@@H](CC2CCC=CCC2)CCCC1(C)C	2076393539	STBIRWQAPQBGAK-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1COc1ccccc1C(C)(C)C	2079816402	XXTBZVPXWFOHDA-ZIAGYGMSSA-N	246.394	4.655	0	10	BJAE	
CCC1CCC(C=C(C)[C@H]2CC[C@H](N)CC2)CC1	2082132510	FIWDUVBRHDREPL-GWEOLNPGSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)[C@@H](C)CCC(C)C)c1	2082918445	ISLPCMURPBWCLB-SUMWQHHRSA-N	247.426	4.684	0	10	BJAE	
CCN[C@@H]1C[C@@H](C2(C)CCC2)C12CCCCCC2	2083329005	ZKTYWTNFWKOUFC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC(C)(C)C2(C)C)c(C)c1	2084370875	KWHQFAVPABFQRJ-CQSZACIVSA-N	245.410	4.848	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC1CC(=C2CC2)C1	2086055804	CUQUQHZWEQNCFF-SUMWQHHRSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)C[C@@H]1CC12CC2	2086354818	OJBBQYZNXDHMFH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@](C)(O)CCCCCCCC1CC1	2210527559	SXXCYBXTMVYUAL-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
Cc1csc([C@H](N)CCCC(C)(C)C)c1C	2210579089	UEWFLIMZHGUBCC-GFCCVEGCSA-N	239.428	4.581	0	10	BJAE	
Fc1ccc(Cl)c(C/C=C/c2ccccc2)c1	2213825857	ZMDQTMMLQNQRBV-QPJJXVBHSA-N	246.712	4.735	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCCCC2CC2)CC1	2214560429	LYIODUKOBSCHKQ-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CC1(C)C[C@@H]1CCCC[C@@H](N)C1CCCCC1	2214768856	VLFNGKXBNXZRRY-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CC1[C@@H](C)[C@@H]1C	2214998070	XUJYUBPCMUUEEW-QWRGUYRKSA-N	247.769	4.505	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@H]1CC[C@@H]1C	2215102535	TXMGZHDVWWRQIQ-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(C2CCCCC2)C1	2216252761	MRIDNHVZHIZDMC-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@]1(CCCCC(F)F)CCCCCN1	2216448938	HENXHDRXEMAHEF-AWEZNQCLSA-N	247.373	4.514	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)[C@@H](C)CCC(C)C	2217146997	FPANHCZSBZTJGX-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(NC2CCC(C3CC3)CC2)c(C)c1	2218894553	KPIHMVUIXNUHHY-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)C/C=C/c1ccccc1	2219081638	JIFBAKWXRPHLQE-IQUZECRKSA-N	245.410	4.504	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](N[C@H]2C=CCCC2)CC1	2220278198	YWZICCCXXHMGJO-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
Cc1cc(C)cc(N(C)CC2(C)CC(C)(C)C2)c1	2221089972	HIFLLDZUDXOZSZ-UHFFFAOYSA-N	245.410	4.566	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@]1(C)CC=C(C)CC1	2221618828	LLJPRPSXNORJAY-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
Fc1cccc(NCCCCCCCC2CC2)c1	2223122585	VJQGNPAEWWHACS-UHFFFAOYSA-N	249.373	4.988	0	10	BJAE	
C[C@H](C[C@H](O)c1ccc2occc2c1)C(C)(C)C	2224132997	RNBDNXCQWGLVRU-RISCZKNCSA-N	246.350	4.539	0	10	BJAE	
Nc1cccc(C=Cc2ccc(C3CCC3)cc2)c1	2231693380	ABXLJYYVGCTDSL-UHFFFAOYSA-N	249.357	4.707	0	10	BJAE	
Cc1ccc(CC2=CCCCC2)c(Cl)c1F	2243237355	LAYKHWRYLGVVHG-UHFFFAOYSA-N	238.733	4.830	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC[C@H]1CCC[C@@H](C)C1	2246726293	LCONKZZJMNOYDG-QKPAOTATSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@@H]1CCC12CCC2	2247363493	DIDJDNZIEQADNB-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2CCC2(C)C)CC1	2247446719	JUZATVBSUDCQHL-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)CCCCC[C@H]1C[C@H]1C	2248846954	WYDUUIWFUPSBLO-PMPSAXMXSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@H]1CCCNC1	2250470022	VPCQVLUXDVDGBS-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CC(CCN)C1	2250520198	ZSSNLWUYYFXPAQ-LBAUFKAWSA-N	237.431	4.524	0	10	BJAE	
CCCN[C@H](CC)CC[C@]12CCCC[C@H]1CC2	2251194226	IIVHGJZKDBXZIF-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@@]12CCC[C@H]1CC2	2251203766	MLJFJMUKAUUVPZ-WWGRRREGSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC(=O)C1CC(CC(C)(C)C)C1	2251535401	NEKFEACWBPYHCB-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C1CC(CC(C)(C)C)C1	2251539723	GVLDJEDCWLMKJK-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CN[C@@H]1CC(C)(C)CCC1(C)C	2251662802	AAKPZSZINJWYBX-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
O=C1CCCC[C@H](c2ccc3ccsc3c2)C1	2253080504	IMOCDEPTRDJNAI-LBPRGKRZSA-N	244.359	4.518	0	10	BJAE	
CC1=C[C@](O)(CC[C@@H]2CCCCC23CC3)CCC1	2253890073	ORCIUKXCPGTCJX-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@H](N)CCCCC[C@@H]2C[C@@H]2C)cc1	2254526991	CEPSNHCELSEVFI-USXIJHARSA-N	245.410	4.601	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1(N)CC2(CC(C)(C)C2)C1	2254586882	DSFMMZRMDYZORQ-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CCCC[C@@H]2C[C@@H]2C)c1	2254589633	VTTRAROKOFXMIS-ZMSDIMECSA-N	246.394	4.553	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@@H]1CCC12CCC2	2254956319	AFKRCJOGELIBFF-GJZGRUSLSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NCC[C@H]1CCCC12CC2	2255289168	SWFVYPRNWZVAJI-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(C(=O)CC2(CCC)CC2)cc1	2256229718	FRKNPTYXGCMEAZ-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H]1CNC12CCCCC2	2257362566	SQWGWGYLEYIXOS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@]1(C)CC=CCC1)C2	2259580648	NUUVTRLQIXQNPO-DZTUWMGKSA-N	246.394	4.518	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@]12CCCC[C@H]1CC2	2260523396	CVYAAQONELCVEO-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCCCCCN1C[C@]12CCCC[C@@H]1CC2	2260612209	GLWFDJRCSCYQAJ-BRWVUGGUSA-N	249.442	4.611	0	10	BJAE	
c1cc(NC[C@H]2CC23CC3)cc(C2CCCC2)c1	2260670668	XBRGYGWGCCTPFL-OAHLLOKOSA-N	241.378	4.556	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCC[C@H]2C[C@H]2C)CC1	2298169272	AJWOATZWBSJTRU-IJEWVQPXSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H](C1CC1)C(C)(C)C	2298838710	IPNVHBOVTUSHPE-UKRRQHHQSA-N	239.447	4.616	0	10	BJAE	
O=C(CC(CC1CC1)CC1CC1)c1cccs1	2298884027	OPQLPTIIDCQVSP-UHFFFAOYSA-N	248.391	4.537	0	10	BJAE	
C[C@@H](Nc1cc(C2CC2)ccc1Cl)C1CCC1	2300672164	RPZCBUSNBAWAHC-SNVBAGLBSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1CCCCCCC1	2300685321	DCUIBFYMLOYQCU-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@H](C)[C@H](C)C(C)C	2301863880	IJVFLIBMWBISTJ-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](C)N(C)CCCC1=CCCCC1	2302353623	IFTGMGGXFDIOPW-HNNXBMFYSA-N	237.431	4.778	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@H]1CC[C@H]1C(C)(C)C	2303478592	RVBZGNUGZUKILK-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CC[C@@H]1C(C)(C)C	2303493008	UDTKRFPMAWKKCQ-AJNGGQMLSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1CCC(C)=C(C)C1	2303595454	UFRGISSHUYMJMA-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC[C@](O)(CC[C@H]1CCC(C)(C)C1)CC1CC1	2304387123	LNYKQGRBVRLEQN-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CC1(O)CC2(CC(C)(C)C2)C1	2307835005	MXXVYBRGUNFFBA-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC[C@@H](C2CC2)C1	2307844748	OJEBVDGYPQBQNQ-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CCC(C)(F)F)NCC	2307898359	JPDDNFUFANBLRD-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@H]1CC[C@@H]2C[C@H]12	2308621586	FSPMKJZOJFQXFX-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@@H]1C1CCC1)C1(C)CCCCC1	2310980998	SZWMBGIPMJEPFH-FVQBIDKESA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2C[C@H]2C2CCCCC2)C(=O)C1	2311610551	VLDLZJOXWPAWEF-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
CC(=CCN1CC[C@@H]1CC1CC1)CCCC(C)C	2316516431	GLKSCAHVQGOUIW-QGZVFWFLSA-N	249.442	4.633	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@H](N)CC1CCCCCC1	2316879624	GFCAIMVXAHCVHW-DJIMGWMZSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@H]1CC[C@H](C)C1	2317927286	JILUJOFRISPGIC-QWHCGFSZSA-N	249.373	4.797	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@]2(C)C[C@H]12	2317931728	LEWIWQSFFVDIEO-IIAWOOMASA-N	247.357	4.550	0	10	BJAE	
CCCCn1ccc(CCCC2=CCCCC2)n1	2318567406	FDCATXRSGCSLDA-UHFFFAOYSA-N	246.398	4.506	0	10	BJAE	
CCCC1([C@H](CCCC2=CCCCC2)NC)CC1	2318587490	ASIWMOGAQPSQHF-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@]12CCCC[C@@H]1CC2	2318871780	IBIGOKPUUZZTAP-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@H]2CCCC[C@H]2C)CC1	2320333738	JMJLDIJMANRENN-DZUCGIPZSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](C[C@H]1CCC(C)=C(C)C1)NC	2320395348	DLZFPMQKKNSMBV-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@H]2CC[C@@H](C)C2)c1	2327681873	SUUHBNGVPSCYPX-OCCSQVGLSA-N	244.378	4.737	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@@H]3C[C@H]3C2)c1F	2327765637	SMSFHPXKIPCDSV-FRRDWIJNSA-N	247.357	4.550	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)c1ccccc1CC	2328277709	ZDETXCPWCFOJTP-RHSMWYFYSA-N	247.426	4.639	0	10	BJAE	
CCCC[C@H](NCCC)c1cc(C)sc1C	35583263	JBFYYUATYNOTOT-AWEZNQCLSA-N	239.428	4.596	0	10	BJAE	
Cc1cccc([C@@H](C)Nc2ccc(F)cc2C)c1	37214039	KUVSXVCDNMIGIV-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCCC[C@@H](O)c1csc2ccccc12	40258688	RUQRKTDACNQJKC-CYBMUJFWSA-N	234.364	4.515	0	10	BJAE	
CC[C@H](C)c1nc2ccccc2n1[C@H](C)CC	40390005	BXKATVFCASZEGQ-NWDGAFQWSA-N	230.355	4.521	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cc(F)ccc2C)C1	71105825	FOCGCUJAWZEKFD-OCCSQVGLSA-N	235.346	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](CNc2cccc(Cl)c2)C1	84340451	HODXZDVUOJYORJ-NWDGAFQWSA-N	237.774	4.578	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CCC(C)(C)C1	87769267	MDRAYCAVLYRJPJ-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC1CCCCCCC1	88506295	QPMDAVXJRIWIFB-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
CCCNC[C@H](CCC(C)C)c1ccc(C)cc1	93139273	DIIRYLLTNQBUON-KRWDZBQOSA-N	247.426	4.514	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)c1ccc(C)c(C)c1	103976693	KUFJJCXXDCTXMI-CABCVRRESA-N	233.399	4.533	0	10	BJAE	
CCCc1ccc([C@@H](C)N[C@H](C)[C@@H](C)CC)cc1	109927865	XXEPLBFDEMINAI-RRFJBIMHSA-N	247.426	4.724	0	10	BJAE	
Clc1cc2cccc(Cl)c2cc1Cl	111354938	FUEZTEBYLIMNHN-UHFFFAOYSA-N	231.509	4.800	0	10	BJAE	
CCCN[C@@H](c1cc(C)cc(C)c1)C1CCCC1	112893537	AQZWECOMKDKMIF-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
C=CCCCCCCCCC(F)(F)F	117870844	LZQVWBLOXHAXPZ-UHFFFAOYSA-N	208.267	4.856	0	10	BJAE	
CCCCCC[C@@H](N)c1cc2cc(F)ccc2o1	129474409	BFXIOKLUQSKLJI-CYBMUJFWSA-N	249.329	4.542	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)C1CCCCCCC1	159095275	LXWPPMKOUXPNFJ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC1CCCCCC1)NCC	159633714	BYYWWDSDSUTLLO-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)c1cc(C)ccc1C	163422473	MGPZFFKVSAZYLQ-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1cc(C)cc(C)c1	166786483	YYYUPYKQDZSDTR-HOCLYGCPSA-N	234.383	4.553	0	10	BJAE	
CCCCCC[C@H](O)[C@@H](CC)c1ccccc1	168239158	UNVXRTFJJKKAOV-HOTGVXAUSA-N	234.383	4.512	0	10	BJAE	
Cc1c(C(C)(C)C)[nH]c2ccc(C(C)C)cc12	201426736	VPPLBLXCZJIKLT-UHFFFAOYSA-N	229.367	4.897	0	10	BJAE	
CC(=O)c1ccc2c(c1)[C@@H](C(C)C)CCC2(C)C	202737886	FDTIHBWDKKMIGJ-CQSZACIVSA-N	244.378	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)c2ccc(C)cc2C)C1	226983759	UIXICQGBCYGSKQ-HLLBOEOZSA-N	246.394	4.553	0	10	BJAE	
CCCCC1CCC([C@H](O)C[C@@H](C)CC)CC1	229281050	DNNUYFFDNPLERE-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H](C)c1ccccc1	233162668	SOPSXCMNFPTGOW-NVXWUHKLSA-N	247.426	4.595	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)C1CCCCC1	233575889	OGSTZXDCCTXDLT-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
Cc1cccc2c1NC[C@@H]2C1CCC(C)(C)CC1	235915832	YKZHRWRADVSZOQ-OAHLLOKOSA-N	243.394	4.721	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CCC1CCCC1	300729979	FISRHTPPWLVGPR-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CCC(C)(C)C	300895222	QDXWZVVSFGIWLS-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CCC[C@](N)(CCCC(C)(C)C)CC1	300955571	XVXRACFPCCCIIY-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(C)c(-c2csc(C(C)(C)C)n2)c1	302442197	BJCVSSPNTUSOKS-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1C)[C@@H](C)CC(C)C	302569900	OVVWTIIIDKHIBW-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CCC[C@@]1(C[C@H](C)CC(C)C)CCCCCN1	305935018	KNVGZWNAYIKEPP-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CNCC(C)C)C[C@H](C)CC(C)C	306016558	XREVUYURKKNRGM-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CSc1c(S)sc2cccc(Cl)c12	307292318	KPKQCBLSZDMQFF-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CSc1cc(Cl)c(S)c2sccc12	307431986	MBVMPXHPAGPVFQ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCCN[C@H](C1CCC1)[C@H](CCC)CC(C)C	308058293	SAPBCRXLUNQRKC-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)c1c(C)cc(C)cc1C	308081688	RBSRIBFSONZEKC-DOTOQJQBSA-N	247.426	4.684	0	10	BJAE	
CCCCCC[C@@](O)(CC)c1cccc(C)c1	310235534	RGQOAKWVJNRQST-INIZCTEOSA-N	234.383	4.563	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H]([C@H]2C=CCCCCC2)C1	310658150	RSCNDYYUWWJSIX-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CC[C@@H]1N[C@@H]1CCCC[C@H]1C1CCCCC1	310783386	PIVLMSJULSYRKV-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC(C)NC[C@@]1(CCC(C)(C)C)CC=CCC1	317438636	IVXNPGHJALAWNU-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCNCC1([C@@H](C)[C@@H](C)CC)CCCCC1	319525743	DTLIIUUOAWCQSL-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)C1CCC(C(C)C)CC1	319797083	IVCWYRMJGHBDKZ-DNDYEEKYSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC(CC[C@H](N)C2CCCC2)CC1	380061898	OPWOMJALSJBFHN-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](O)c1ccc2sccc2c1	386615726	IVEMUYFTQPUNQJ-ZDUSSCGKSA-N	234.364	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCCCC23CCCC3)[C@@H]1C	386625595	NMDYXJFRRQEJSN-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCCC1(CNCCC2CCCCC2)CCC1	391844580	XWVUPCBOWHKNGJ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C1CCCC(NCC[C@@H]2C[C@H]3CC[C@H]2C3)CCC1	394226063	WBQKEDVOWJSZEE-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCSc1ccccc1NCC1(C)CCCC1	394615185	CTWIOTNAWRSTEB-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CC1([C@H]2NCC23CCCCCC3)CCCCCC1	394726541	OLQLRMAQFGLECO-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@H]1C[C@H]1CC(C)C	395631860	PYKQNJLKWISUDX-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CCc1c(C(F)(F)F)sc2c(C)cccc12	396308495	SJOYSNTVHZTYKD-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C)[C@H](C)C(C)(C)C	399149093	FKZBHGJWUQZUJZ-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@H](CCCC1=CCCC1)C(C)(C)C	400386442	KHFLZJYFOFVRDD-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)C(C)(C)C	687693385	SWGWPBVUVKLDAI-ZFWWWQNUSA-N	247.426	4.798	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@H]1CCC[C@H]1C	688927365	QRNMAFOTLFGESR-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CCC(C)(C)CC(=O)c1cccc(C(C)C)c1	688934771	DKVSPNQOYYQQMH-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
CC(C)c1cccc(/C=C\CCNC(C)(C)C)c1	688968308	XNMZCOGHYZWLJM-TWGQIWQCSA-N	245.410	4.601	0	10	BJAE	
CCSc1cccc(NCC[C@H](C)CC)c1	689682171	IMWRZBMPLXQARD-GFCCVEGCSA-N	237.412	4.647	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1N[C@H](C)CC1CCCC1	689807448	LGXNSANFXKUWHP-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc(C2CCC2)c1	690111979	BYUQRVWLPWYVKW-OAHLLOKOSA-N	231.383	4.945	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCC(C)(C)C(C)(C)C	691098692	JIWPUOPDOVRANT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](O)c1cccc(C(C)(C)C)c1	691697848	LZNDSCVBYLCBBF-MRXNPFEDSA-N	248.410	4.988	0	10	BJAE	
Cc1ccc(O)c(-c2ccc3sccc3c2)c1	691793180	FDLVGQAWKKMUPL-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
C[C@H](N[C@@H]1CCC12CCCC2)C1CCCCCC1	694334932	WCWVRDDEEYFFRA-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)CC[C@H](N)CC1CCCCC1	696635568	SFOWIWYSWFOEOW-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)CCC(C)(C)CC	696799920	OZGJFZQHAXEUOR-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)c1ccc(F)cc1	697772026	PHLXKKPVSRJBLB-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCNCC1(CCCCCC(C)C)CC(C)C1	701163589	LKQNUQOWNGQBOK-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)C2CC(C)(C)C2)cc1	701472099	ZBUMZBBHCICFDD-MLGOLLRUSA-N	245.410	4.636	0	10	BJAE	
CC(C)CC[C@](N)(CC1(C)CCCC1)C1CC1	704833143	DNHMVLVSCGGDPP-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Oc1cccc2sccc12	705011521	VBIQWBUNNOAVIQ-GHMZBOCLSA-N	234.364	4.715	0	10	BJAE	
CCCCC1CCC([C@H](N)c2coc(C)c2)CC1	706384313	BEXHSGUWBPXZFO-XUJLQICISA-N	249.398	4.584	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CCCC23CC3)CC1	706960166	WEHQLPVUMCGDRH-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCc1ccc(NCCC2CCC2)cc1Cl	709242004	NZDZVQOGCKWKBC-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@H]1Nc1cccc(C2CC2)c1	709654907	QNELXAZRKJQQOS-IIYDPXPESA-N	243.394	4.801	0	10	BJAE	
CC[C@H](C)CCNc1cccc(C2CCC2)c1	709659652	WPQPMUHUXWLYKY-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
Cc1cc(C)cc([C@](C)(N)C[C@@H](C)C(C)(C)C)c1	710751601	GCHKHULNBOOSMP-RHSMWYFYSA-N	247.426	4.550	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)CC1CCCC1	712512903	BFJZWRJSXRFTBN-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)C1(C)CCCCCC1	713230029	QISUECGXTKDHKZ-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)CCC1CC1	718571644	IYIYIUXCEMIKAD-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCCC1(C)C	718713479	YYJWBQNGZHQGQJ-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H](CC1CCCCC1)Nc1ccsc1	720990416	RVHYTAPCSLOKLK-ZDUSSCGKSA-N	237.412	4.909	0	10	BJAE	
C[C@H](CSCC(C)(C)C)C1CCCCC1	1459075053	FLFFFNYKPMBKPQ-GFCCVEGCSA-N	228.445	4.982	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNCC1CCCCCC1	1657966478	JSBLZDONLNPRLG-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC(=CCCNC(C)(C)C)CCCC(C)C	1885800674	CFHCKYDWUGTBQC-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)c1cc(Cl)c(C)cc1F	1889493607	GZGIJOWMQSDKOG-UHFFFAOYSA-N	214.711	4.691	0	10	BJAE	
CCC(C)=CC[C@@H](N)C[C@H](CC)C(C)(C)C	1900885874	SWZUDDMTIFZHAK-UONOGXRCSA-N	225.420	4.523	0	10	BJAE	
Cc1sccc1OC[C@@H]1CCC=CCCC1	1904930584	DKZSUOPHVNFLCS-CYBMUJFWSA-N	236.380	4.572	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1sc(C)cc1C	1905374319	NIPSKYZNUQABMC-CHWSQXEVSA-N	240.412	4.615	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C[C@@]12CCC[C@@H]1C2	1908444875	GUKFDPSWIMMMJJ-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)C(CC)CC	1908553165	XNACMDJOTJBHLX-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
C(=Cc1ccccc1)CNc1ccc(C2CC2)cc1	1911880663	CIXYSJDMKKKGGQ-UHFFFAOYSA-N	249.357	4.689	0	10	BJAE	
Cc1cscc1C(=O)C1CC2(CCCCC2)C1	1912659175	PPOPDLXTWKIBBT-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CC[C@H](C)CCN[C@@H]1CCC2(CCCCC2)C1	1915865846	QLAFWCCGIGBQLC-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC1(C)CC(N[C@H]2CCC3(CCCCC3)C2)C1	1915868399	OSKGXGZPRJUOQF-FHERZECASA-N	249.442	4.658	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CCCC2)C1)c1cccs1	1916424839	YMUUNOZGOBRTIB-QWHCGFSZSA-N	249.423	4.512	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C1CC(CCC)C1	1921259832	QXISFIIYSKDFDP-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@H](C)C1CCCC1)C(C)(CC)CC	1924080010	ZYZYMVHWDJHEMH-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](N)c1ccc(C2(C)CC2)cc1	1926385199	VOQHLJBFZZBPCI-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
C[C@@H](CC(=O)CC1(C)CCCCC1)C(C)(C)C	1940385563	UIKVAABMRHBBLW-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
C[C@@H](CC(C)(C)C)NCC(C)(C)C1CCCC1	1940763949	VYOKBSIEVSQXAL-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC([C@H](O)CCCC2(C)CC2)CC1	1940869954	PITIATKMMBIIQH-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@H](C)c2ccc(N)cc2)CC1	1940966709	LRSNGFDLXHLUTN-HSBZDZAISA-N	231.383	4.589	0	10	BJAE	
CC(=CCCNCC(C)C)[C@H](C)CCC(C)C	1942661152	VQXRCEYCFXGLAF-MRXNPFEDSA-N	239.447	4.641	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C(C)(C)C1CCCC1	1944636060	WRNHWWJFUNEQTB-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1CCC[C@H]1C	1944844409	ZLARNBSCVUDYSS-KGLIPLIRSA-N	231.383	4.658	0	10	BJAE	
CC[C@H](C)[C@@H](N)CC1CCC(C(C)(C)C)CC1	1946668624	PYVPHPBQEDENBH-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
CCCCCCC1(O)C[C@H]2CCCCC[C@@H]2C1	1947842812	NCGWUFVMEBPEOG-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CN[C@H](CCC(C)(C)C(C)C)CC1CCCC1	1949861764	JGINOKXIXAYYFE-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CC)CCC[C@@H](C)CC1	1950920980	ALULQHPRRUBOJC-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(-c2nc([C@H]3C[C@H]3C)cs2)c(C)c1	1968436304	QRVKYSNEUJEDQO-YPMHNXCESA-N	243.375	4.550	0	10	BJAE	
C[C@H](NCC1(C)CCCCC1)C1CC2(CCC2)C1	1971294942	BAEFZAYEBNSSPL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(CCN[C@@H]2CCC3(CCC3)C2)CC1	1973788971	DGXKDAZDUYRPBQ-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)C1(C)CCC1	1981372933	XWCXVBVAZKETMT-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CC=CCCC[C@H](N)C[C@@H](C)CC(C)(C)C	1984629811	KYNZRPFYLXGTSX-KGLIPLIRSA-N	225.420	4.523	0	10	BJAE	
CC[C@H](CNc1ccc(C)cc1Cl)C(C)C	1988768970	XHHZLIXFOSMBBH-GFCCVEGCSA-N	239.790	4.743	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@@H](C)C(C)(C)C	1988779600	AMDLJVWMKPVBSJ-UKRRQHHQSA-N	225.420	4.523	0	10	BJAE	
C/C=C/CCCN(C)[C@H](CC)CCCCC	1990124136	VCAQQYQEKKDLAC-SBJJXXPASA-N	225.420	4.633	0	10	BJAE	
CCCCCN(CCCC(C)(C)C)C(C)C	1990838495	HXYNKJRMLCBRDG-UHFFFAOYSA-N	227.436	4.713	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@H](C)CC(C)C	1995261203	BWSYHRLJILXTOF-ZNMIVQPWSA-N	227.436	4.602	0	10	BJAE	
CC1(C)CC(C[C@](C)(N)C2(C)CCCCC2)C1	1995985808	ASJVPCVGMPLSBR-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@H]1CC[C@H](C)C1	1996260328	NRSIKEJGZWQGEE-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@@H]1CCC[C@@H](C)C1	1996548606	RSRKDEHSOWIAPM-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](O)[C@@H]1CCC[C@@H](CC)CC1	1997118357	XDDLQWNSPDGQGG-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCC[C@H](C(C)C)CC1	1997195735	LEQXSAGVJDHRHV-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)[C@H]1CCCC(C)(C)C1	2000034027	PMGXETMIRFPDQY-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](O)CC2CCCC2)C1	2000034989	VXZTTZFXUPKLQZ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@](C)(F)C(C)(C)F	2003225149	SODDSHZPPWTUIT-RISCZKNCSA-N	248.357	4.638	0	10	BJAE	
CCCN(C1CCCC1)[C@@H]1CCCC(C)(C)C1	2003815617	HXWVDBLSTFIJLH-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CC1(C)C[C@@H]1C[C@@H](O)C1(C)CCCCCCC1	2004920052	GLOOVMFJYNNFJL-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCCCCNC[C@H]1CCCCC12CCC2	2005612862	WZPOYYYPSUSNFA-OAHLLOKOSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](CCCCCC(C)C)C1	2006662793	DLZMXBYBKUJQMH-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C1(C)CCC2(CC2)CC1	2007682451	ZSDKVSOPEZGOCV-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)c1cscc1C	2007940807	VKHFKVZTQMBHHW-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1CCC(C)(C)CC[C@@H]1O	2009420582	PXTZLRSVZSTZDO-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@](C)(N)C1=CC[C@@H](CC)CC1	2010729140	LUEXZKWPNOJHJF-ZBFHGGJFSA-N	237.431	4.811	0	10	BJAE	
CCC(CC)C[C@@H](NC)C1=CC[C@H](CC)CC1	2010750381	VGWWUZVTWZWNAR-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C=C=CCC[C@H](NCCC)C(C)(C)C(C)(C)C	2010977278	PRNXACUBEFEEMI-AWEZNQCLSA-N	237.431	4.548	0	10	BJAE	
CCC[C@](O)(CC)CC1CC2(C1)CC(C)(C)C2	2011838741	WXTQMBNRVOEKDT-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CC2(C1)CC2(C)C	2012192735	SOSWVKSDZRJHID-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](CNC(C)(C)C)(C(C)C)[C@H](C)C(C)C	2012418878	IKINXOIFOLMHGZ-GDBMZVCRSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC1CCC(C)CC1	2013263747	JFGQYIKZTQYJMR-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC=C=CCCN[C@@H](CC)c1cccc(Cl)c1	2014189825	QCLVRAJVKPSBEO-CFLXJFERSA-N	249.785	4.502	0	10	BJAE	
CC(C)C(CC[C@H]1CCCCC[C@@H]1O)C(C)C	2015347342	PFDBMBRIUYMAGS-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC(C(C)C)C(C)C	2015373288	AXAOYRPSDXWSRN-AWEZNQCLSA-N	240.431	4.946	0	10	BJAE	
FC(F)c1cccc(CC[C@H]2C=CCCC2)c1	2015418110	ALAQQZBBXYSAGQ-LBPRGKRZSA-N	236.305	4.913	0	10	BJAE	
CC(C)CC1([C@H](O)CCC2CCCCC2)CC1	2015748994	KHDATQILVWLMHQ-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC[C@](O)(CC1(C(C)(C)C)CCC1)C1CCC1	2017115403	XUUCOFROFLWTCK-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C[C@H](N)C2CCCCCC2)CCC1	2017149424	ZZDQXTQQVXSQFY-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)C[C@@H]1CCCCCCCC[C@@H]1O	2017428472	ALKNXBUDVWVHHL-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)NCCCC[C@H]1CCCC2(CC2)C1	2018427468	CMABNSHGQWJDME-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](C[C@@H]1C[C@@H]1CCC)NCCC	2022486760	YMKUUJAUQLVCIZ-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@H](CC)CC(C)C	2022675921	OSRFNSPYSAFCFP-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)c1cc(C)c(C)s1	2022682848	HEQBSFZHMSVIJF-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CC(F)(F)CCCC[C@](C)(O)C1(C)CCCC1	2023310324	VDAOOLAALRCTMP-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC1CC(C)(C)C1	2026079338	MLQUVSICGKQCBQ-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)Cc1csc([C@H]2CCC23CCC3)n1	2026528392	DFLDBNDRYZMZBN-WCQYABFASA-N	249.423	4.779	0	10	BJAE	
Cc1cc(C)c(C(=O)CC[C@@H]2CC2(C)C)c(C)c1	2027821253	YQYVFGBVFUBFEX-CQSZACIVSA-N	244.378	4.621	0	10	BJAE	
CCCc1ccc(NCCC[C@H]2CC2(C)C)cc1	2027822659	RVGDKFPXWJLDKL-HNNXBMFYSA-N	245.410	4.877	0	10	BJAE	
CCC1([C@H](CC2CCC=CCC2)NC)CCCC1	2028872507	HEVPCLFTCBGENT-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)C2(C)CC(C)C2)cc1	2029106831	XCPNBBGQNAJDNK-FNIIMMMJSA-N	245.410	4.636	0	10	BJAE	
Cc1cccc(N[C@H]2CC(C)(C)CC3(CC3)C2)c1	2030279433	JFDWJMOVDQUKDS-HNNXBMFYSA-N	243.394	4.766	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)c1ccc(C2CCC2)cc1	2032269354	SNHFCEWTOAPDFA-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC[C@@H]1CCc2ccccc2N1	2032652773	FSNXOESZLJSZJS-IJEWVQPXSA-N	243.394	4.630	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@H]3CC[C@H]2C3)c(C)c1	2035046431	JPJJEENHXJJEGN-OWCLPIDISA-N	243.394	4.602	0	10	BJAE	
C[C@@H]1C[C@@H](CC2CC3(CC3)C2)Nc2ccccc21	2036724470	MVZGUMYYTYJKIO-OCCSQVGLSA-N	241.378	4.555	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CCC[C@@H]2CCCC[C@H]21	2038354520	NMLQNPBTTICUKF-YLFCFFPRSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@@H]1CCC2(CC2)C1	2038566492	CTLNLEUYKFFWPM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@H]2C[C@@H]3CCC[C@@H]3C2)c1	2038622512	NHYMOUOSYFWZPE-SCAQPMJSSA-N	243.394	4.801	0	10	BJAE	
C[C@H](C=C1CCCC[C@@]12CCNC2)CC(C)(C)C	2038649916	PHKVQWPTIYOBPP-PBHICJAKSA-N	249.442	4.539	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@H]1CCCC[C@H]1C)C2	2038934067	RDHJOCGBQOBNPF-FPLXTJHRSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)N[C@](C)(C(C)(C)C)O2	2039850460	TYXYAEILVWNLRY-INIZCTEOSA-N	247.382	4.551	0	10	BJAE	
C[C@H](Nc1ccc(F)cc1)C1CCC(C)(C)CC1	2040639704	XCQDBHDZIREQEV-LBPRGKRZSA-N	249.373	4.843	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)[C@H]1CC=CCC1	2042025534	WADBVCAMCCWUFK-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CN(C[C@@H]1CCC=CCCC1)C1CCCCCC1	2045309563	HWTGSKYYLQWHNB-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
C1=CCC[C@H](C[C@@H]2Cc3ccccc3N2)CCC1	2045318045	RFWPLKYRSJLCCO-GOEBONIOSA-N	241.378	4.550	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](C[C@H]1CC=CCC1)NC	2045730618	QINWNXYODHZRNK-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)C1(C(C)C)CCC1	2045798290	ZNLQPRWXDYSPCZ-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CCC1(N)CC2(CCCCCC2)C1	2046232889	FKXLAXMBXAOMFP-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CC[C@]1(CNCC(C)C)CCC12CCC2	2047939541	OGAWYFUBNPKXDI-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)c1ccccc1	2048595296	GAVQWOMXGDPCGQ-VMBOVVBDSA-N	245.410	4.554	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1	2048623313	GDQNPXPCDJVJDT-YLZDHBLKSA-N	248.410	4.598	0	10	BJAE	
C=CC=CCCN[C@@H](C)C1CCC(C(C)C)CC1	2049412258	OBMCJJNNVMZJNW-GTPINHCMSA-N	249.442	4.559	0	10	BJAE	
C[C@@H](NCCC1=CCCC1)[C@@H]1CCCC(C)(C)C1	2049530819	YXMATVOJDNHXGX-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H]1CCCC[C@@H]1CC1CCC2(CC1)CC2	2049850568	YTSYNLHHCNNVGS-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)C[C@H]1CCCC2(CC2)C1	2049861223	UFIRHQDZYMPOFX-LZWOXQAQSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1(C)CCC1	2052351904	KECONEIQGOGYQO-ZJIFWQFVSA-N	249.442	4.514	0	10	BJAE	
CC1(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCCCC1	2052502398	IYEFGWVXAJMHKD-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1C[C@H](CCC2=CCCCC2)C[C@@H](NC)C1	2055038858	LAGVRZICXCFBAC-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)CCC1	2055549534	LRAAYSDRSYJENW-DZUCGIPZSA-N	249.442	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2(C3CC3)CCCC2)C1	2057604654	UOODOUXPLXATEF-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H]1CCC2(CC2)C1	2059248987	CXMMUIMIFCNOSJ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCC[C@H]2C2CC2)C1	2059394826	BTTWYPSZPOSIAF-MHVXSEJMSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC=C([C@@]2(N)CCC3(CCCCC3)C2)CC1	2060911419	XWTOMHWYQMTTRN-WMLDXEAASA-N	247.426	4.565	0	10	BJAE	
CC(C)CC1([C@H](N)C2=CC[C@H](C)CC2)CCCC1	2060921915	ODKVIPGVJAJTMY-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)C1=CCC(C)(C)CC1	2061113953	TYOFEWDIIQBPHW-DYVFJYSZSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C(CC(=O)c2ccccc2C)CC1	2061197474	VZOQUEQZQUHKFE-CQSZACIVSA-N	242.362	4.704	0	10	BJAE	
O[C@H](CCC1CCCC1)CC1CC(=C2CCC2)C1	2061688131	LXJGIJVRKXRLLR-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1C[C@@H]2CCC[C@H]2C1)C1CCCCCC1	2063490627	MSCYDUFYIFMAEF-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC2CC=CC2)CC(C)(C)C1	2063628945	VJHQSYGSDRBNPQ-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(=O)C[C@H](C[C@H]2CC3CCC2CC3)C1	2063717732	ROSUKINFLJMASP-OOJKYFRXSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@H]1CCC[C@H](C(C)C)N1	2066378149	MYDFTPSLTOVZNX-IAGOWNOFSA-N	245.410	4.649	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC12CCC2)C1(C)CCCC1	2067518103	ULLIDJKRKBHKEB-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
Cc1cc(C(=O)CC2CC(C(C)(C)C)C2)oc1C	2068917740	UXVNVTGDYPFWGM-UHFFFAOYSA-N	248.366	4.542	0	10	BJAE	
CCCC1(C(=O)c2c(C)cc(F)cc2C)CCC1	2069337887	QHCCRPXGJQKRDN-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1C)C1=CC[C@H](CC)CC1	2071513424	ZZKAVSVEVWXFDE-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(NC[C@H]2CC23CCCCC3)CCC1	2071870092	BVKRSUMNEDYRGU-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(C(C)C)CCC1)[C@@H]1CC=CCC1	2071942539	FQUVTXQURQIOGT-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCNCC1(C[C@H]2CC[C@H](CC)CC2)CC=CC1	2072798132	GRNFUHAXQQBYBC-WKILWMFISA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCC(C)=C(C)[C@@H]2N)CC1	2072807403	VVGLECYPUBCWKI-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
FCCC1(CNc2cccc(C3CCC3)c2)CC1	2074643959	LPDXBGPULHYXOO-UHFFFAOYSA-N	247.357	4.506	0	10	BJAE	
Cc1ccccc1CN1CCCCCCCCC1	2074784166	FMONEOWRFATMCV-UHFFFAOYSA-N	245.410	4.541	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)N([C@H](C)c2ccccc2)C1	2074792767	LQUOSMDSENVMND-ZMSDIMECSA-N	245.410	4.504	0	10	BJAE	
CCC1(C)CCN([C@@H]2CCC23CCCCC3)CC1	2075011487	BSFNWMBNCOYHOA-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC1CCC(N2CCC[C@@H]2C2CCCCC2)CC1	2075120780	PMLRBUFTUAMWMY-BDVYOWHSSA-N	249.442	4.610	0	10	BJAE	
C1CCCC([C@@H]2C[C@@H]2CC[C@H]2CCCCN2)CC1	2079695933	NYCPNIRKXOVHKX-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1C[C@H]1c1ccccc1	2079844364	VCEZOMQHXVONPW-IMJJTQAJSA-N	244.378	4.576	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](N)C=C2CCC2)CC1	2080217270	GLQNELSVHVHXGL-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CCCCN(CC=C1CCC1)C1CCCCCC1	2081807078	RKARFLPECCHQES-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
CCCN[C@@H](CC)c1ccc(CCC(C)C)cc1	2082704925	RYLPIMJZYILEHN-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1cccc(C(C)(C)C)c1	2083545176	HDVCMTAMLHWEAW-WFASDCNBSA-N	244.378	4.603	0	10	BJAE	
CCC[C@@H](CCC1C2(CCC2)C12CCC2)NCC	2083570923	NENCNWCOURKZGA-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCC1(O)CC2(C1)CC1(CCC1)C2	2083640946	DXDVIKMFLHWZIB-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2CCCNC23CCCC3)C1	2083814598	SBDPSKWSSHMJNB-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C[C@@H](N)CCCCC1CC1)C(C)(C)C	2214566065	SDEFSQZVAGNJHV-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)CCCCC1CC1	2214566313	VKGCMACGKUHPCX-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CCCCC2CC2)C1	2214569188	LVAOVPWDURWIRA-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(N)CCCCCC1(C)C	2215244405	GUCZROMWWBZEMS-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2(C)CC(C)(C)C2)C1	2215432870	NBZWFFUDAXRJSG-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@](CN)(CCCCCC(C)C)CC1	2215832698	IDXXDFNZOXRVBZ-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216255183	BWXVCOMHWPMZKU-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2218337173	FKGGCCOEWLEDSP-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
CC1(CC[C@@H](N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218357811	IKZNLBLQAPFOBY-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C(CCCN1CCC2(CCC2)CC1)CCC1CC1	2218735557	PJRYMQTYXHVMPZ-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
C[C@H](C/C=C/c1ccccc1)CCNC(C)(C)C	2219095360	XJQHBMKXENANDC-INDWDQIESA-N	245.410	4.504	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C1CC2(CCCCC2)C1	2220959477	KKFRYEDVIBCJKH-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2(C)CC3(CCC3)C2)C1	2221036781	BZMJUHGNCAHXOY-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@H](CN[C@H]2CCCCCC2(C)C)CC1	2221668625	PXMVJHWAWGCUIU-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CCCCC2)CC12CCC2	2223593751	JHWFRLZWXZSCBT-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)[C@H](O)c1cccc2ccoc12	2224187277	KYMMLILFEAEUCZ-HNNXBMFYSA-N	246.350	4.683	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc(Cl)c(C)c1	2244779053	CHBBZHVKOAWDLD-NSHDSACASA-N	238.758	4.657	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC(CC)CC)NCC	2244783869	RTGBQLUIGLMGTK-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
C=C=CCCc1cccc(C2CCCC2)c1	2245225371	MYSZGJROBBOFRX-UHFFFAOYSA-N	212.336	4.618	0	10	BJAE	
CCC[C@H](CC)N(C)CC[C@@H]1CCC[C@H](C)C1	2246663621	GAMJWKRCQXQHRJ-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCC(=O)CC[C@@H]1CCCC12CC2	2247584451	QHBQGXQUNNCQFR-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1csc2ccccc12	2250387311	ZPLKPAVCWMFVGV-ABAIWWIYSA-N	247.407	4.727	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)[C@H]1CC1(C)C	2250466479	FKSCWMVKDUNJPZ-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CCC1CC(C[C@@H](N)CC2CC3(CCCC3)C2)C1	2254105871	HUQFXCOBROZVAD-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2CC3(CCCC3)C2)C1	2254115602	YLCWCFJFEOPCCH-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
Cc1ccccc1C(=O)CCCCC[C@@H]1C[C@@H]1C	2254537829	SIVWFWSIICSDHJ-LSDHHAIUSA-N	244.378	4.784	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC2=CCCCC2)[C@H]1CC	2255094808	CNEBTHYDWFGJED-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC1CC(CC(=O)CC[C@@H]2CCCC23CC3)C1	2255312562	HLVISCDBJRSFPZ-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
Cc1cc([C@H](N)CCCCC[C@H]2C[C@H]2C)c(C)o1	2257240914	MEEPTHQICVQIPR-DIOULYMOSA-N	249.398	4.503	0	10	BJAE	
CC1=CC[C@](C)(NCCCCC[C@@H]2C[C@H]2C)CC1	2257313966	XKLCPRYVVZGURS-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(NCCC2CCCCC2)cc(C)c1C	2258239363	RWAGPIKYYNQBDL-UHFFFAOYSA-N	245.410	4.994	0	10	BJAE	
CC1CC2(C1)CC(C[C@@H](N)CC1(C)CCCC1)C2	2259529166	WNZWBZPTYUWYML-UKEPKTAJSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1C[C@H]2CC[C@H]1CN2	2259612086	DTCPCVUANBLRHV-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@]12CCC[C@H]1CC2)C1(C)CCC1	2260581346	DELLDNYJNSIVFQ-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@H](N)C[C@]23CCCC[C@H]2CC3)CCC1	2260604063	NGTQJHLLEYPJFR-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@]23CCCC[C@@H]2CC3)C1	2260658388	OWDDFXPDDDKQNG-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@H](C)CC1CCC1	2298857196	FYELCOXDIAHKPD-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)C[C@H]1CCC(CC)CC	2300677716	CLFFZAYSSZNZDB-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@H](CCC(CC)CC)C1CCCC1	2300700644	MZCKDUVPSXWHIP-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC(C)=CCN(C)[C@H]1CCCC(C)(C)CC1	2300887291	BVHQGDGAHVMIDJ-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
O[C@@H](CCCCC1CC1)CCC1=CCCCC1	2301945887	PNFZBILBRBKKPP-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CC[C@H]1CCC(C)(C)C1	2304399686	OXMOQXRBDOKEGS-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@]2(C)C=CCC2)C1	2304422571	JJQYDBPLQNKIOP-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](CC)CC(C)(C)CCNCC(C)C	2307827149	VDHJXUJCEVLEES-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1cc(C)ccc1C	2307840062	AZXLOKVMLZAPER-ZBFHGGJFSA-N	234.383	4.553	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)C[C@@]12CCCC[C@@H]1C2	2311161788	JOBSNOVAJCPGMD-NNXHMXCWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312958390	QGFGDCQVRWVOHL-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](C[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313198028	DRZKUDQRCGSBCC-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@@]12CCC[C@@H]1CC2	2313291042	OUAGCPGTBBLGCQ-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC(C(=O)C(CC2CC2)CC2CC2)C1	2313641209	HQEQNSAYZRVPEO-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)N(C)[C@@H]1CCC2(CCCC2)C1	2313648514	QCLOWZLRAKFBIG-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@]12CCCC[C@H]1CCC2	2316542556	QXJDVPDOCITCGY-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H]1C[C@H]2CCC[C@H]1CC2	2316868825	BELGXTYIHWMARR-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C1=O	2317006863	JAEXKUIEKVWFAE-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC[C@H]1C[C@H]2C=C[C@H]1CCC2)NC	2317153980	DBWLXJXXOSCNKH-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1[C@@H](Nc2cccc3ccccc23)CC1(C)C	2318173766	AIRCUJCULLMLME-LRDDRELGSA-N	239.362	4.686	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@@H]1CCCC2(CC2)C1	2318883382	SMCFJYKULPHYSP-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC1CC(C=C[C@@H]2CCCC[C@H]2N)C1	2318951837	LYDAFNDDCGTESZ-SSHXOBKSSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCC[C@H]3C[C@H]32)CC1	2319338649	BXMLPQREKVPYNU-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CC[C@H]2C(C)(C)C)cc1	2320258173	KNUACSKZIAUDKW-LSDHHAIUSA-N	244.378	4.640	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC[C@H]2C(C)(C)C)cc1C	2320321967	GCEAJSRUSFMIBR-GOEBONIOSA-N	245.410	4.788	0	10	BJAE	
CC1=C(C)C[C@H](CNC[C@@H]2CCC(C)(C)C2)CC1	2320373494	SLYATNRBAMYUJU-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@H]1C[C@H]1C1CCCCC1	2320403915	SPFILKBHFLVYHM-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CCC2CC(C)C2)CC1	2320425745	ZWSBPBCYYYRWGG-VDSRIPIWSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1cccc(C=Cc2ccccc2N)c1	2320661538	KWSZEAIXXLGCGB-UHFFFAOYSA-N	237.346	4.563	0	10	BJAE	
C[C@@H](C=C1C[C@H]2CC[C@H]1C[C@]2(C)N)CC(C)(C)C	2327763038	XSEPBOHKFDARBC-LBEHMCEESA-N	249.442	4.523	0	10	BJAE	
CCCCCCc1ccc([C@H](CCC)NC)cc1	2327898204	GZACSJONLIVVCZ-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CCC(CC)CCC(=O)c1ccnc(C(C)C)c1	2328321981	YDWJYLKKSWOHLA-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
CNc1ccc(/C=C/c2ccccc2Cl)cc1	1561703	SDCJQEXRHQUPGI-RMKNXTFCSA-N	243.737	4.552	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1ccc(C(C)C)cc1	21009174	KJBIXOGHGSTAKD-STQMWFEESA-N	219.372	4.657	0	10	BJAE	
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC1CCCCCC1)C2	34995186	VQAOWXMGXIYMID-YSVLISHTSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1(c2ccccc2)CCC1	62780539	KGQXJQNTSCXKAG-CQSZACIVSA-N	244.378	4.504	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@@H](CC)C1)c1ccc(C)cc1	80452284	QQWMZRNKAGKQPB-PVAVHDDUSA-N	245.410	4.614	0	10	BJAE	
CCC(=O)c1cc(C(C)(C)C)cc(Cl)c1C	83164684	YSGUXSWMOHRZOS-UHFFFAOYSA-N	238.758	4.539	0	10	BJAE	
CN[C@H](CCCCC(C)(C)C)c1ccccc1	83828443	YPENIUNUPHMMKN-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
Cc1cccc(Cl)c1-c1ccc(F)c(F)c1	85389132	OWXJFIANQSWVGL-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CCCCCC2)CC1	86894434	BKGLKLULMKXLGP-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)c2cc(C)ccc2C)C1	87988873	UVSQFWQMFQEAQO-VYDXJSESSA-N	245.410	4.520	0	10	BJAE	
C1CCC(CCNCC2CCCCCC2)CC1	89559687	YKOSDYHAERHAQX-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C1CCCC(NCCC2CCCCC2)CCC1	103988662	WUCKILZISXGZIZ-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
C/C=C\C[C@H](CC)c1cc(C)ccc1C	107531737	IIIJEMBXODCDGU-VSKVDJIOSA-N	202.341	4.763	0	10	BJAE	
C[C@H](C[C@@H](N)CCC(C)(C)C)CC(C)(C)C	126729563	FABKWTYTCNJBTA-OLZOCXBDSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@H](c1csc(C)c1)C(C)(C)CC	129485108	HACMTDPFULZVFL-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CC(C)C[C@H](Cl)c1cccc(Cl)c1	147327772	WLUULCLESBNSSA-NSHDSACASA-N	217.139	4.666	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H](C)CC(C)(C)C	168976726	ZMNKYEWZPCCKKQ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H](C)C1)C1CCCCC1	218188321	IIGWWXHXTGGNDD-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](/C=C1/CCc2cc(N)ccc21)CC	227447304	HUFASCMQKPZHFJ-UROBUVALSA-N	243.394	4.815	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@H](Nc2ccccc2)C1	230764587	KPICKMSZQADLHI-GDBMZVCRSA-N	231.383	4.703	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H]2C=CCCC2)cc1	232357774	VUTQNZXXDCIIQH-DZGCQCFKSA-N	230.351	4.688	0	10	BJAE	
CC[C@H](C)[C@]1(N)CCCC[C@H]1C1CCCCC1	251732757	FRMBWYKUMYMGDA-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H](c1ccccc1)C(C)(C)C	252387625	BDDKWTFXNWHWEB-OFQRWUPVSA-N	247.426	4.798	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](C)C(=O)c1ccccc1	252902641	NCXKITWURZDIIO-LZWOXQAQSA-N	244.378	4.722	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@@H](C)CCC	300846247	AMGVHCPIYMZWTK-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)c1ccsc1C	300865686	CZGUHQPYHSHPLL-FZMZJTMJSA-N	239.428	4.533	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](C[C@@H](C)CC(C)C)C1	306019574	YESZKFOMKQTCHP-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H](CC)CC(C)C	308109291	XZUSIHNWFPBDQG-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C[C@@H]1CCC[C@H](C)C1	310188553	YDNQAZAFXRCSMF-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@H]2C[C@H](C)c3ccccc3N2)CC1	310834726	ZOGAISGCKPAXME-ICEJCHNJSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC([C@@H]2NCC23CCCCCC3)CC1	311065104	ZTFPPNWPFOFCLA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@H](C)C(CC)CC)C1CCCC1	313411812	PIYIMFMKNPMFQT-CJNGLKHVSA-N	239.447	4.760	0	10	BJAE	
CCCCC1(CNC2CC2)CCC(C)(C)CC1	319094365	UNDFFZNMMUCUDK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@]1(CNCC(C)C)CC[C@H](C)C1	319220349	PSUWWBFJGHIWFT-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1CCC[C@@H]2C[C@H]12	378887768	NDZGASOFDJYQPF-IPYPFGDCSA-N	243.394	4.585	0	10	BJAE	
CC(C)CNCCCCC1CCCCCCC1	379609976	HOYRUXCHLNPUPX-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1CCCCC1(F)F	381734237	SZAJAVHUXPDEKB-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCCc1ccccc1C(=O)CCC1CCCC1	384529931	MCZRJHWECCSZHE-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCCc1ccccc1C(=O)C1C(C)(C)C1(C)C	384577595	WHVPHVAIUXDLMG-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC/C=C\CN[C@H](c1cccs1)C1CCCC1	384761099	QEBPRASGWVITGE-BYPUDFOVSA-N	249.423	4.535	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H](C)c1ccccc1	384988557	UZESUCLXJISWLA-KBPBESRZSA-N	232.367	4.576	0	10	BJAE	
CCCC1([C@H](N)c2ccccc2C2CCC2)CC1	385203186	GTVCMFWLVXDQKD-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCC[C@H](NCC(CC)(CC)CC)C1CCC1	391209087	RJBKYDJVWQTKEJ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CNc1cccc(OCC(C)C)c1	394605320	QTPXFLUQRJQUEN-UHFFFAOYSA-N	249.398	4.570	0	10	BJAE	
CCOc1cc(CC)c2c(Cl)csc2c1	396184304	BLYPPKYKLYANEF-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1cc(S)c2sccc2c1C(F)(F)F	396289434	ACTMUHODOICIMU-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCc1c(F)sc2cc(C(F)(F)F)ccc12	396295244	IPPKVRMEDOMJDO-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
Cc1c(S)sc2cc(C(F)(F)F)ccc12	396312499	XFKJNGXKMFXDHT-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCc1cccc(NC[C@H]2CCCC[C@H]2CC)c1	401593852	UDWLOBSMZUGHKA-HZPDHXFCSA-N	245.410	4.877	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC=CCC1)CC(C)(C)C	402203225	JCMIEKFDHBQXAD-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C[C@@H]1CC=CCC1	402302701	CXSCDNOPZOOKNP-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CCC1([C@@H](O)CC2CCC(C)(C)CC2)CCC1	687586660	OXUWAUGFPFBRLN-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC1(CN[C@H](C)CC2CCCC2)CCCC1	689805171	HMJJURAKMGICPC-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CSCCCCNc1ccc(C2CCC2)cc1	690159376	QXXNPHCPMARZTJ-UHFFFAOYSA-N	249.423	4.509	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H]3C[C@@H]32)cc(C)c1Cl	690267162	NYEMROJAUWFUOR-FPMFFAJLSA-N	249.785	4.557	0	10	BJAE	
CC1(C)CC[C@@H](NC2CCC(C3CCC3)CC2)C1	696076775	OMRMUHSMNQIFRR-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cccc(C2CCC2)c1	696180087	YGNGFJMCJWOJPS-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCC(C)(C)CCNc1c(C)cccc1C	696701259	HPMULHFJWOUHHB-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CC(C)=CCC[C@@]1(CNC(C)C)CCC[C@@H]1C	698055353	RQPSZTMPYDFBPG-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(C(C)(CC)CC)CC1	701046583	DDUSOLJDELLAQW-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
C[C@@H](CC(=O)C1CCCCCCC1)CC(F)F	701469431	SUHISWANJWDBHD-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)c1csc2ccccc12	702130231	FMIQJEZFCOVNPZ-OAHLLOKOSA-N	244.359	4.520	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)c1ccsc1Cl	704567661	KDGCTUITXAGTEC-PSASIEDQSA-N	246.803	4.507	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CC(C)(C)C[C@@H]1C	704947999	APMQEZQPVAGSNM-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)C1CC(C)(C)C1	706179818	HEUWTNLNINATGE-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCCC[C@@H]1C(C)C	707577754	RKLBMKXOIJWAJQ-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)c1cc2ccccc2o1	708250868	JGUPTRBNYUEJAC-IAQYHMDHSA-N	245.366	4.505	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@](C)(O)C1CCCCC1	709070786	IBASJQMVVJEINL-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CC[C@H](C)CC(C)(C)C)C(C)(C)C	709101659	BVWRBRWTUNGLKD-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCCC1([C@@H](C[C@@H](C)CC(C)(C)C)NC)CC1	709125797	ITBOTKSUKQFZAI-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H]1CC2CCC1CC2	709481721	FVMDZTGYBOVDSO-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1nccc2sccc12	710015760	HBTSPFWCMDSQPA-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
CCCC(CCC)[C@H](N)c1cscc1Cl	710472813	JGHBQJAZUWECHP-LBPRGKRZSA-N	245.819	4.618	0	10	BJAE	
CCN[C@H](CC[C@H](C)C(C)(C)C)C1CCCC1	710752076	HJWREVNEXNDWLS-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCC2(CC2)C1)C(C)(C)C	711149051	SPYNNDZLDYLYJM-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](N)CC(C)(C)C(C)C	713242502	ZZPSHZVRQOCRSM-HZPDHXFCSA-N	247.426	4.580	0	10	BJAE	
Cc1cc(Cl)ccc1OCC(C)(C)C(C)C	713253776	CUUXIEABFLJOKW-UHFFFAOYSA-N	240.774	4.709	0	10	BJAE	
Cc1c(Cl)cccc1OCC(C)(C)C(C)C	713255995	MQLMAOGHQJJQEY-UHFFFAOYSA-N	240.774	4.709	0	10	BJAE	
CCCC[C@@](CC)(CO)CC(C)(C)C(C)C	713257755	JGAFYCCTQSPYLE-OAHLLOKOSA-N	228.420	4.638	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714423431	KRPZKEXOFAVFTE-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O	718530655	FBVXMTBSRINPAI-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCc1ccc(CCCC(C)=C(C)C)cc1	718775361	DJDAWYOWINZLNE-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)C(CC)CC	723542988	ABUWGSZWJHCHPJ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCN(c1ccccc1)[C@H](C)C(C)C	1620575401	OXWJUNDVQMAYAG-FYCOFBDGSA-N	243.394	4.670	0	10	BJAE	
C[C@@H](SC/C=C/Cl)c1ccc(Cl)cc1	1640885880	AFFIUTZRMZJILD-WEMAUNJASA-N	247.190	4.887	0	10	BJAE	
CCc1ccc(NC[C@@H]2C(C)=CCC[C@@H]2C)cc1	1656859655	OVCDCOBZABQTDG-WMLDXEAASA-N	243.394	4.653	0	10	BJAE	
C1=C[C@H](N2CCC[C@H]2CCC2CCCC2)CCC1	1657809628	DKGYCOPLNMKNAG-IRXDYDNUSA-N	247.426	4.530	0	10	BJAE	
CC(C)c1cccc(CN(C)C[C@@H](C)C(C)C)c1	1875908702	SWEOKLSMQWTIAH-OAHLLOKOSA-N	247.426	4.534	0	10	BJAE	
Cc1cc(Cl)c(CC(C)(C)C)c(Cl)c1	1893728930	BWQNSFMWZJXHBB-UHFFFAOYSA-N	231.166	4.890	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C[C@H](C)CC	1900698824	WZOSVDFMAOOOQJ-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CSc1ccccc1N[C@@H](C)[C@H](C)C(C)C	1901709616	OVMAGAHGLVMMPP-NEPJUHHUSA-N	237.412	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)CCCCC1CC1	1902164375	GIFGNUSEIFJOGA-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](C)c1nc([C@H]2CC23CCC3)cs1	1903456539	NVWUFTSWWOLYIS-GHMZBOCLSA-N	235.396	4.704	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H](CC)CC(C)C	1905435004	OIEIQUSIFYGODK-ZIAGYGMSSA-N	226.404	4.844	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1ccc(CC)s1	1905445593	QQUAWTULRPXCOM-DGCLKSJQSA-N	239.428	4.527	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@](C)(N)CC1CCCCC1	1908576165	BBOMKIAHJAUYNQ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC=CCCN[C@@H]1CCC[C@H](C(C)(C)C)CC1	1911978247	OPQARDZATPOVDG-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC([C@@]2(N)CCC3(CCCC3)C2)CC1	1916437721	MOZFZLYBNKXDBZ-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CCNC[C@@]1(CCCC(C)(C)C)C=CCCC1	1916566659	WHHGGKGGJBYWPB-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@@H]1CCCC[C@H]1CC	1919962777	WAKOEKZURMPICS-ZJIFWQFVSA-N	240.431	4.780	0	10	BJAE	
CCCCC1(CNC(C)(C)C)CC(CCC)C1	1921258630	IDILJKMVOSODDH-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H]1CCCC12CCC2	1921489222	IZZQRBNMOOKEJA-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CC1(C)C[C@H]1CC[C@]1(N)CCCCC12CCCC2	1921566065	ZVJTUOYHSAYWQN-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1C[C@H]2CCC[C@H](C1)C2	1923480888	RWYCWWVVVTVWNF-QBYUYEEZSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)C[C@@H]1C=CCCCC1	1925799997	XAWYLUIZXSPLKB-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC)(C[C@H]2C=CCCCC2)C1	1925802543	LWFSBGSVXHEBCW-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@]1(C[C@H]2C=CCCCC2)CCCCCN1	1925926383	HFNQCPLMXMMRJF-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCNC1CCCCCCC1	1926146794	YAZSHCPGZWUIBY-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
Clc1cccc(CC[C@H]2C=CCCC2)c1	1932607870	WVUHXCTZPAVFIP-LBPRGKRZSA-N	220.743	4.629	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC1(C)CCCCC1	1935618738	SPRHILXFWBODJI-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C(=O)[C@H](C)CCC(C)C)C(C)C	1937171683	TXKBTKBEFQCFJR-KGLIPLIRSA-N	226.404	4.700	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC1(C)CCCCC1	1940405636	CPOWVDIQMDAEKD-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(O)CC1(C)CCCCC1	1940405980	DVDPZCAIBDCZTN-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H](O)[C@@H](CC2(C)CCCCC2)C1	1940412597	HPGPLWRTGVELHN-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCC(O)(CCC)CC[C@H]1CCCC1(F)F	1940705077	GARXOEVZHNHFKX-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CC[C@H]1CC1(C)C	1940854989	BUPGKAJKSYGAHF-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)[C@H](CCCCCC1CC1)NCC	1941588248	ZWDXUOKMGUQBLU-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1CCCC1CC1	1941687927	QDFVZKCBVRJGIP-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)([C@@H](C)CCC(C)C)CC1	1942656660	DLFAWCSMBZCWRX-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CCC[C@@H]1C)NCCC	1944822033	YBNFGDBGEPOWOM-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCNC[C@@H]1CCC	1944891211	NSQARKNOFOOJIM-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@](C)(O)CC1CCCCC1	1944892506	XBWKOEBRZLXNGG-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CSc1cccc(N[C@@H]2CCC[C@@H]2C(C)C)c1	1947463294	DSABBIFJFKAQOE-HUUCEWRRSA-N	249.423	4.645	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H]1CC12CCCC2	1948103120	VVKKXAXJGZUDFL-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](N)[C@@H]1CC[C@H](C)[C@H](C)C1	1948920335	BTQASGMTSNALOU-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](NC[C@H]1CCCC(C)(C)CC1)C(C)C	1950923029	QXIGOWSKZKJAHP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@H]1CCCCC1(F)F	1956821759	MDOVFEBWGOMQEE-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccsc1Cl	1959921705	XKGRQXCILUESBS-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
CC[C@H](C)CCNCc1ccccc1C(C)(C)C	1964047025	AAUNNWMDIUMMDI-AWEZNQCLSA-N	247.426	4.510	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@@H]2CCCC23CCC3)CC1	1967700794	ZYCYNJICPLORPK-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@@H](C)c2ccoc2)C1	1970466488	DMZQBLIKXDLMMU-OFQRWUPVSA-N	249.398	4.535	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)[C@@H](C)CC	1978650493	ACKRCWRWOGSBRS-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)CC1(N)CCCCCCCC1	1980337247	RWKBBIDGEYAUCD-AWEZNQCLSA-N	225.420	4.645	0	10	BJAE	
CC=CCCC[C@H](O)CC[C@H](C)CCCC	1995258434	DOBHZBPPFVABTL-CABCVRRESA-N	226.404	4.700	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@]2(N)CCCC(C)(C)CC2)C1	1996266709	CWNDPHDFYMNCNA-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)C1CCC(C)CC1	1996552318	LFRCHBMEIVTKMJ-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)CNc1snc2ccccc12	1996602871	MCOAGMAREIEXSV-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCC[C@@H](NC)[C@H]1CCCC2(CCCCC2)C1	1996647326	KZGGNAMUUDNBSR-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CCCC2(CCC2)C1	1997047824	WYBQDQMCPAHIOU-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(C)C2CCCCC2)CC1	1997205692	QFOPAMDENANJLO-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@]1(C)CC=CCC1	1997545533	DBAPJSYUAAIYBT-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC[C@](C)(CNC(C)C)[C@H]1CCCC(C)(C)C1	2000164637	YWEBKWGXFHVLPI-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CCCCCF)CNCC	2000505604	SLZNPXCYHCLEBD-OAHLLOKOSA-N	245.426	4.712	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(N)CC2(CCCCCC2)C1	2000665162	APAZEAOLXNDPOE-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@]1(N)CCCCC12CCCCC2	2001572800	NUSOBEFDONBVBS-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC1CCC([C@@H](C)N(C)CCC(C)(C)C)CC1	2002960720	FQBHJUQCVMIFHX-SHARSMKWSA-N	239.447	4.569	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)C1(C)CCCCCCC1	2004920531	KVIZACZATAQVSQ-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CC1CCC1)C1(C)CCCCCCC1	2004923908	WAJJCHXXUUGXIB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(CN)CCCCC1(C)C	2005589091	KJQHFKZTPXYOOS-MRXNPFEDSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](C)C[C@H]1C[C@@H](NCC)C[C@H](CC)C1	2006631502	MAPMQRYNTHZUCF-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C1(C)CCC2(CC2)CC1	2007686906	JZIPOASGORSBDW-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCCC2(C)C)C1	2009715414	FCFMVXGMXKESAV-YMAMQOFZSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)CCC(C)(C)C)CC1	2010715011	JVVXZROHSKXQEL-UKRRQHHQSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@](N)(CC)C1=CC[C@H](C(C)C)CC1	2010735319	BYRQWDWXDDBAQV-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@@](CC)(CNC1CC1)C(C)C	2012424397	DWQPIABMGHKHLE-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](CCCCCC2CC2)N1	2013531257	QUHZXPAFKOGZPF-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CCc1ccc2[nH]c(C3(C)CCCC3)cc2c1	2014329008	MPQXOBUEMPDEJF-UHFFFAOYSA-N	227.351	4.562	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC(C(C)C)C(C)C)C1	2015283639	GMYJSMASORAOBR-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
CCC1(CC)CCN1CCC(C(C)C)C(C)C	2015386699	FERBDBFZYRQORX-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccc(C)cc1F	2016142646	ASHKYJPTUYAYAC-ZDUSSCGKSA-N	235.346	4.681	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cc(C)ccc1F	2016146073	SKXQYUIIIDPPNJ-ZDUSSCGKSA-N	235.346	4.681	0	10	BJAE	
Cc1ccc(NCC2(C(C)(C)C)CCC2)cc1	2017144962	XWDUAEYCWWULJN-UHFFFAOYSA-N	231.383	4.623	0	10	BJAE	
CCCNC[C@@](C)(CC)C[C@H]1CC[C@H](C)CC1	2017725044	PQSJUNFJAGTZFZ-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCCN([C@H](C)CC)[C@@H]1CC[C@@H](C)[C@H](C)C1	2019123075	AXLZZEKBIZJOTC-KLHDSHLOSA-N	239.447	4.712	0	10	BJAE	
CCCCN(CCC1=CCCCC1)[C@@H](C)CC	2019341203	XHSZOXNUIWDRAU-HNNXBMFYSA-N	237.431	4.778	0	10	BJAE	
CC(C)CC[C@H](C)N1CCCC12CCCCC2	2019407221	QBAHDKYEFWBHHX-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H](CC)CC(C)C	2020967477	SFYWNXSFOUJOAK-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1C[C@H]1C1CCCC1	2022560081	LQPRMUSDCLGHBT-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CCCCC(C)(F)F	2023351398	AEKHBPPQCHWHIF-CYBMUJFWSA-N	249.389	4.746	0	10	BJAE	
CC1(C)CCC[C@H](C[C@](C)(N)C2CCCC2)C1	2024102323	RFRSFWSGXIHYCQ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1[C@@H](NC)CCC[C@H]1C	2024517988	LGTWOZQHGPTJGU-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCC1(F)CCC1	2026081452	WDFGIMGSDBSCBU-CYBMUJFWSA-N	242.378	4.834	0	10	BJAE	
C[C@@](F)(C1=CCCCCCC1)c1cccc(N)c1	2027938447	DUOXZVZZLIXCKK-MRXNPFEDSA-N	247.357	4.734	0	10	BJAE	
C[C@@H]1CC=CC[C@@]1(N)C1CCC(C(C)(C)C)CC1	2028114451	HCPJENJCTOUGDJ-VXTDNTOSSA-N	249.442	4.523	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1cc2ccccc2o1	2028241753	URTMGAMOHUKSJB-CJNGLKHVSA-N	246.350	4.539	0	10	BJAE	
CCN[C@H](c1cccc(CC)c1)[C@H](CC)C(C)C	2028266400	VLBYONLTFAQEGK-IAGOWNOFSA-N	247.426	4.582	0	10	BJAE	
CCC1([C@@H](N)c2ccccc2C2CC2)CCCC1	2028559745	JQGLXGABTAMBNY-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC[C@H](C[C@@H](O)C=Cc1ccccc1)C(C)(C)C	2028588402	NYKFJXZQYFHNBQ-CVEARBPZSA-N	246.394	4.523	0	10	BJAE	
CCC[C@@](O)(c1ccc(C2CC2)cc1)C(C)(C)C	2028605079	LIKPKQBKLHMSBJ-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@@H]3CCCC[C@H]32)CCCCC1	2028759140	FCELNWWZAALFNP-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
c1cc(NC2C[C@@H]3CC[C@H]3C2)cc(C2CCC2)c1	2029079241	VKBYXXJBRRJNST-GJZGRUSLSA-N	241.378	4.555	0	10	BJAE	
C[C@H](CCN[C@H]1CCCCC12CCCC2)C1CC1	2032224070	LXBZOBHARGQRJC-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CC[C@@H]3CCCC[C@@H]32)C1	2034255052	AHQMBCSQISRQGA-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2CC23CCCC3)CC1	2036133813	HQCVCCOZOTWQQS-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@@H]1C1C(C)(C)C1(C)C	2037220824	MYZPYCVETAVVDI-SMDDNHRTSA-N	243.394	4.514	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@@H]1C=CCCCC1	2039032533	NXKXASUUEZOMPJ-QBPKDAKJSA-N	249.442	4.536	0	10	BJAE	
CC[C@H]1CCC(=C2CCC(C(C)(C)C)CC2)CN1	2040673909	KENXEIZUKGMUBN-LYKKTTPLSA-N	249.442	4.681	0	10	BJAE	
CC1(CN[C@H]2CCCC[C@@H]2C(C)(C)C)CC=CC1	2042076335	NCOFOGBYRPJEIF-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC[C@H]1C=CCCCC1	2043187970	PTPGKZUFNDUJDJ-RDJZCZTQSA-N	247.426	4.601	0	10	BJAE	
Cc1cccc([C@@H](N)[C@H]2CCCC(C)(C)C2)c1C	2045380799	HOENRNWKEFWPGK-HOCLYGCPSA-N	245.410	4.520	0	10	BJAE	
CC(C)CCCC(=O)c1ccc(CC2CC2)cc1	2045563104	FGPMPOHTKYFKNS-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@@H]1CC12CCCCC2	2047011798	LXDKBPSIHISAHD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(CNc2ccc(C3CC3)cc2)CC=CCC1	2047728835	KMLWSUAUXWMOMG-QGZVFWFLSA-N	241.378	4.722	0	10	BJAE	
CCC(=O)c1ccc([C@H]2[C@H]3CCCCC[C@H]32)cc1	2049170664	NGRPVDXXTWAHBL-SCAQPMJSSA-N	242.362	4.573	0	10	BJAE	
CCNC[C@@]1(CC2CC=CC2)CCCC(C)(C)C1	2049515284	POGSEYJWTVZFLX-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CCC1CCC1)C[C@H]1CCCC2(CC2)C1	2049856260	OCTVRNKFQKUZDV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(N)C2CCCC1CCC2	2050012524	RVZWONDKFQTDDP-HHPWFTGOSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C1CCCCCC1)[C@H]1CCCCC12CCC2	2053409752	BDYGGDOUDJXFSO-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CC2CCC(C)(C)CC2)C1	2054986767	HPMYWVRWQSTHAW-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@@H]1CCCC(C)=C1C	2055551028	WAQKZUTYEBBZQI-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NC)C1(C)CCC2(CC2)CC1	2059267976	UNIHFPGBQKVAMJ-RGDDUWESSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@]2(O)CCC23CCCCC3)CC1	2061094077	CSQAQLSZISNUBK-WMLDXEAASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C2=CC[C@@H](C(C)(C)C)CC2)C1	2061113525	PKTCUZIVEDWSGP-CPUCHLNUSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C1=CCC(C)(C)CC1	2061139261	DIRVAMUDUHXBGX-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@]1(CNC(C)(C)C)CCC[C@H](C)C1	2061565130	BQBXIFRLEOMLIP-RDJZCZTQSA-N	249.442	4.692	0	10	BJAE	
CN[C@H](CC[C@]12CCC[C@@H]1C2)C1CCCCCC1	2061574198	DXPNTHYIKZZNJQ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CCCC1)C1(CC2CCC2)CC1	2069564571	USDLUNYDMSIVBD-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C[C@@H]1CC=CCC1)C1(C(C)(C)C)CCC1	2071931518	AZUGFIJSIQMKQC-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCCC[C@](CC)(CN)CC1CC2(C1)CC21CC1	2072235905	DSFIVEMBDFHASI-CKDBGZEDSA-N	249.442	4.502	0	10	BJAE	
CC(C)=C(C)CC1(CNC2CC2)CCCCCC1	2072407383	HMJNMVIIDNABIG-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCCC1CCC(C[C@@H](NC)c2ccco2)CC1	2072801289	MNMZIEZQWZVFOB-YMAMQOFZSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC23CCC(CC2)C3)CC1	2072802685	AHIJVRORXUFIGB-WXFZTKORSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@]23CCCC[C@H]2C3)C1	2074112710	JBQPOSJPLIHWMO-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@]2(N)C[C@H](C)CCC2=C(C)C)CC1	2074557987	KHVZIJLLDTXPDT-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CN([C@@H]1C=CCCC1)[C@H]1CCC2(CCCCC2)C1	2075084123	ITVLWLGVWWQLAO-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCCCC2)CCC1(C)C	2075365055	KEGYPQSCKLZFEA-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1ccc(F)cc1C	2077188835	BETQVLGKCKHMRP-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
C[C@@]1(CNc2ccccc2C2CC2)CC=CCC1	2077265291	OMMXNNBDYVPDJU-QGZVFWFLSA-N	241.378	4.722	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H]1C[C@@H]1C1CCCCC1	2079432990	XCUDVJVZJVDHBN-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
NCC1(C[C@@H]2C[C@H]2C2CCCCC2)CCCCC1	2079665291	KEBOTMRLEJMTIB-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C[C@H]2C2CCCCCC2)CCC1	2079817482	DRGBEBJTNGCTSN-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CC(C)CNCC1([C@H]2C=CCC2)CCCCCC1	2081682546	YRHNDXXPKLFSRW-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2Cc3ccccc3N2)C1	2082978261	FVQSHGKITIHJKK-UKRRQHHQSA-N	243.394	4.630	0	10	BJAE	
CCC(C)(C)[C@](C)(O)c1cccc(C(C)(C)C)c1	2083542455	WNJCAMUGKHHRGH-QGZVFWFLSA-N	248.410	4.628	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CC2)CC1(CCC)CC1	2086345645	GLRUPJAUEQGKEQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1sc(Cl)cc1CC=Cc1ccccc1	2210663210	YWBWILIAEVPWSL-UHFFFAOYSA-N	248.778	4.966	0	10	BJAE	
CCC(CC)(CC)C(=O)CCCCC1CC1	2211108420	HMWVJVWQPQHYJH-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCN(C)CCCCCC(C)C	2215338021	FDXNDSJUEFSPJL-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2(C)CC(C)(C)C2)C1	2215383900	COQVHBPPGXAPIB-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC1(C)CC2(CCC2)C1)NC	2215400673	IMFRNQYQJWFILT-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@H](C)c2ccsc2)CC1	2215824468	TXCMVOQCWAFLNN-UKRRQHHQSA-N	249.423	4.535	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@H](N)CCCCCCCC1CC1	2216876511	DHHKLTDCGOSPPM-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CN(CCCCCCCC1CC1)CC(C)(C)C	2216877326	KWSLMCPSLOVLDL-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218334818	SWMQRXQHQZRRPE-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218375391	VEHNMWMHFFJRFL-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C1CC=CC1)N(C)CCCCCCC1CC1	2218748416	FZMKIQWCMBXIAY-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
C[C@@](N)(CCCCC1CC1)[C@H]1CC2CCC1CC2	2220028205	PWUSUKXRGBGSEY-SJJHQCBESA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCC1CC1)C12CCCC1CCC2	2220047051	VTYJBKWPFBFHIG-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@@H]1CCCC2(CC2)C1)C1CCCCC1	2220297946	BLEYJRMJRLMBJK-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H]1CN[C@@H]1CCCCC12CCCCC2	2220605248	HSJLEHJVEIIOMC-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCCCc1ccc(NCC[C@@H]2C[C@@H]2C)cc1	2220932856	OKSIRMRJVASTSO-GOEBONIOSA-N	245.410	4.877	0	10	BJAE	
CC[C@H](C)NCC1([C@H]2CC2(C)C)CCC=CCC1	2223594988	BBONVYGHASKHHG-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@](CNC2CCC2)(C2CCC2)CC1	2223607630	YODZMOZDSJWRIX-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](CC1(C)CC(C)C1)NCCC	2246591020	OPOVFJOXGVRVOE-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@@H]1CCCCC12CC2	2246626897	NDRZRQBHASCBPP-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CCCC[C@@H]1C[C@H]1C	2247125295	XVSDOXCRQQKAIK-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCC[C@@H]1C[C@@H]1C	2247166999	RGKAUZRFICPNDF-NUEKZKHPSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H]1C[C@](C)(N)C1(C)CCCCC1	2247435775	VQAVPCNYSCLUQC-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC1CC1)NC(C(C)(C)C)C(C)(C)C	2247759116	YXADSMNYIITQJW-CYBMUJFWSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)C[C@H](O)CCCCC[C@H]1C[C@H]1C	2248838546	IAMKZROVMVPTNJ-VNQPRFMTSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CCCCC[C@@H]1C[C@H]1C	2248870576	MMFBPWFLKZQTIE-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](O)CCCCC[C@@H]1C[C@@H]1C	2248881345	YCWKAPLFKZXQCO-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CCC1([C@H](N)c2ccc(C3CCC3)s2)CCC1	2250281019	AEUOEHMQTVVWQU-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C1=CC[C@@H](C(C)C)CC1	2250359154	QWYYXICGFVWGRH-LZWOXQAQSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)c1ccco1	2250481551	NDCDYPAMHDXTDR-KBPBESRZSA-N	237.387	4.522	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@]12CCCC[C@H]1CC2	2251222583	QBZJYAVXRDFBDY-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CC(=CCl)CNc1cccc(C2CCCC2)c1	2251244523	VHVXBABXNFDWNS-UHFFFAOYSA-N	249.785	4.899	0	10	BJAE	
CCCC1(C(=O)c2ccc3ccsc3c2)CC1	2253089785	NLQOGJHEVJRDFN-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
Cc1cc(C/C=C/c2ccccc2)cc(C)c1F	2253445284	ULPIZWCCDISSGQ-RMKNXTFCSA-N	240.321	4.698	0	10	BJAE	
Nc1cccc(C=CC[C@H]2CCCCC23CC3)c1	2253801459	BVTDRKRKWGHIQS-OAHLLOKOSA-N	241.378	4.643	0	10	BJAE	
C/C=C/CCCN(C)CC[C@@H]1CCCCC12CC2	2253855337	MYPWWTBZLZOCJF-CWDCEQMOSA-N	249.442	4.635	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@@H](C)C1)C1CCC(N)CC1	2253932312	BBDYLWRAFONTJC-XNGJBWTFSA-N	249.442	4.667	0	10	BJAE	
C[C@@](N)(CC[C@H]1CCCC12CC2)C1CCCCC1	2255273745	PSHOEOBRELEMLO-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1([C@@H](N)CC[C@H]2CCCC23CC3)CCC1	2255280917	DGKVBOHBUMFHPG-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C[C@@H]2CCCC23CC3)CC[C@H]1C	2255326406	NDKQPQNQWFUHTA-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
C(CCNCC[C@@H]1CCCC12CC2)CCC1CC1	2255331274	MUSXETFQGGEQKN-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(N(C)CCCCC[C@H]2C[C@H]2C)cc1	2257291533	QJNVZSBTFAOKAU-CVEARBPZSA-N	245.410	4.648	0	10	BJAE	
CC(C)C1(CNc2cccc(C(C)(C)C)c2)CC1	2257963760	WPDBBCXVXWSSFA-UHFFFAOYSA-N	245.410	4.832	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)c1ccccc1C(C)C	2259430889	KPOKAWCJMZVYEE-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@@]12CCC[C@@H]1CC2	2260485652	GRPSTSXXYHFICO-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@]23CCC[C@@H]2CC3)C1	2260584954	YHRZEAMLIALDJW-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(N)(C[C@]23CCC[C@@H]2CC3)CC1	2260645508	IRJPYEZAJUWJBZ-KZYLPZIUSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c(C(=O)CCC2CC(C)C2)cc1C	2261512943	JYIVTRKSIGKDQQ-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298416998	IUNYXJHBTFDXBB-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)[C@H]1C[C@@H]1CC	2300672883	BDSHDAUHLOMQTI-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@]1(O)C[C@@H](C)CC(C)(C)C1	2300680625	GKCQVWZGEWENHE-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCC(=O)C1(CC2CCC2)CC1	2300684878	YUKMGGOCRQCOQY-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cc(F)ccc1C(F)F	2300826779	RAIMVQXKJAXXPT-RKDXNWHRSA-N	245.288	4.610	0	10	BJAE	
CC(=CCN[C@@H](C)C(C)(C)C)CCCC(C)C	2300870020	PTNPEXWTPOZDJB-HNNXBMFYSA-N	239.447	4.783	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1ccccc1C1CC1	2301834488	ZEGVFSMUHHYNHL-QWHCGFSZSA-N	231.383	4.657	0	10	BJAE	
CC[C@H](Nc1cc(F)ccc1C(C)C)C(C)C	2301913087	OMEACQBLMYWAFB-AWEZNQCLSA-N	237.362	4.796	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)C1(C)C(C)(C)C1(C)C	2301960151	ZUWWEXAUGIHHPL-VXGBXAGGSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@@H]1CCC(C)(C)C1	2302723421	SQTAQVDERIVVED-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1CC[C@H]1C(C)(C)C	2303397283	SNWNXATYTCAYQY-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H](C)[C@H](C)CC(C)C)CC1	2303603650	VHTXVKVYODZFNF-OWCLPIDISA-N	237.431	4.536	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CC1=CCCCC1)NC	2307819611	NYMYFBLJUTXANK-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H](C)CC(C)(C)C	2307911847	YRAZHWLNIWTOPZ-ILXRZTDVSA-N	241.463	4.863	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@]23CCCC[C@@H]2C3)C1	2311163427	JBQPOSJPLIHWMO-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]2C2CCCC2)CC1	2311539802	PNMUQGFVWDROMF-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CC=C(C)C)C[C@@H]1C[C@H]1C1CCCCC1	2311746317	SCMNOYOZGAXKLO-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2C[C@@H]3CC[C@H]2C3)cc1	2312869073	KDTRZWFVGVFNEQ-KBMXLJTQSA-N	243.394	4.658	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@@H]1C[C@H]2CC[C@@H]1C2	2313172075	FLOWCAOMFQZGHV-CAOSSQGBSA-N	246.394	4.518	0	10	BJAE	
C[C@@H](NC[C@@]12CCC[C@@H]1CC2)C1(C)CCCCC1	2313316305	BMJLTGVYCPTAPE-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)[C@]1(N)CC(C)(C)CC2(CC2)C1	2313658766	CLVCEFSCLQKLBD-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C(CC2CC2)CC2CC2)C1	2313704077	HVSVJPDAJXZLKV-IUODEOHRSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(C(=O)[C@@H](CC)CC(C)C)ccc1C	2314700023	OZCCFORQCOCVEM-HNNXBMFYSA-N	246.394	4.812	0	10	BJAE	
Cc1ccc(C)c2c(C3CC3)c(CC3CC3)[nH]c12	2315507921	JZQIHFBOQHIIAV-UHFFFAOYSA-N	239.362	4.615	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@@H](C)c1ccccc1	2316243300	NEWCVWQONGNZNM-WMLDXEAASA-N	247.426	4.595	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317119972	AWTWOFFIVRMTFT-KCYZZUKISA-N	249.442	4.523	0	10	BJAE	
C/C=C/CCC[C@H](CCC1=CCCCC1)NCC	2317903476	FSIKZBWEJXJNLO-NJELEJDNSA-N	249.442	4.992	0	10	BJAE	
CCN[C@@H]1[C@@H](C)CC[C@@H]1CCCC1=CCCCC1	2318572793	KDZJOQRVDBVSLU-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C1=C(CCCN2C[C@H]3CCCCC[C@H]32)CCCC1	2318576236	NCLJNVIUKTZXHR-IAGOWNOFSA-N	247.426	4.532	0	10	BJAE	
CC1(C)CCC[C@@](N)(CCCC2=CCCCC2)C1	2318583075	LDDTVMXYXJWOMS-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@@H]1CC12CCCC2	2318873689	BXVWCXWXSWLHKS-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@H](O)CC[C@@H]1CCC(C)(C)C1	2319028639	DJATYIFSJZPFFG-GDBMZVCRSA-N	246.394	4.635	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1cc(F)ccc1C1CC1	2319173269	HGFPPNLXKKKHEZ-NSHDSACASA-N	248.341	4.568	0	10	BJAE	
CCNC[C@@]1(C[C@H]2CCC(C)=C(C)C2)CC1(C)C	2320326549	GGXGDSKDEHSGCS-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CCC[C@@H]2C[C@@H]2C)CC1	2320330372	LDLYVSQFQSXCBG-ARFHVFGLSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@@H](C)C2(C)CCC2)CC1	2320345500	AJJWQEOFWZBVTR-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@H](CC1CC1)C1CC1	2320776285	OAIDTRVYUYSAIC-SJORKVTESA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CC23CCC3)c1F	2327780599	LTYMOMXSYXNZBU-LBPRGKRZSA-N	247.357	4.551	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@H]3C[C@@H]32)c1F	2327807685	JZKNSUOGWUWBPY-FPMFFAJLSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)Cc1ccc(C)cc1	2328214564	YAOTZWNBXJCQIT-DOTOQJQBSA-N	248.410	4.505	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H](CC)c1ccccc1	2328268409	HQFGKTYFYJPWDU-GDBMZVCRSA-N	246.394	4.966	0	10	BJAE	
CCCC[C@H](CC)CNC(CCC)CCC	20559074	QGEPGKQEDGPCAB-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCCCN[C@H](c1ccccc1)C1CCCCC1	21045434	PDTVYCMXFOEBIF-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CCCCCNc1cc(Cl)ccc1Cl	21505676	YFDXLTYOIWYJAP-UHFFFAOYSA-N	232.154	4.596	0	10	BJAE	
CCCCCNc1ccc(CCCC)cc1	21507657	MGDSXBVFPUKFNO-UHFFFAOYSA-N	219.372	4.631	0	10	BJAE	
C[C@H]1C[C@H](NC2CCCCCC2)CC(C)(C)C1	21520782	DALLMKUMJHLUPS-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CC)c1ccc([C@H](C)CC)cc1	35580577	ZQCBKIQSPJNNQC-CZUORRHYSA-N	233.399	4.651	0	10	BJAE	
CCc1ccccc1N[C@H](C)c1cccc(C)c1	37213398	QRHGBGXRYBHEAK-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
Cc1cccc(Nc2ccnc3ccccc23)c1C	41055561	VRTWIEUHQZUQNJ-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
Cc1ccsc1[C@H](N)C[C@@H](C)CC(C)(C)C	42728912	ZUEDXGUELSJYHS-ZYHUDNBSSA-N	239.428	4.519	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)c1cscc1C	87288806	SVBZJDXYOMIYEX-FZMZJTMJSA-N	239.428	4.533	0	10	BJAE	
CCC1CCC([C@H](O)C2CCCCCC2)CC1	87946659	SXXVGRXUJDFPLX-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1C)C(C)(C)CC	104009194	XBCLTHBJEJGHOR-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1ccc(F)c(C)c1	104387933	BQYQIMYZADNYJR-OCCSQVGLSA-N	248.341	4.533	0	10	BJAE	
CCCCC[C@H](C)Nc1nc2ccccc2s1	110382677	VNOHVHITOGLHCQ-NSHDSACASA-N	248.395	4.677	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)CCC1CCCC1	122991788	YUKMICWOELBLPZ-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCCC)NCCC	124646191	GKDLTSIWEMAZBT-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC1CCCC1)NC	125213300	DSPCXHLGLANNGW-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC1CCCCCC1	126804647	JVGNZAMJANJMSF-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1ccc(C2CCC2)cc1	128766309	RBQSTCFOHGNYHT-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H]1C[C@H](CCC)CC[C@@H]1CNCC	156123516	VMFFNMSWSRPOCQ-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1ccc([C@@H](C)CC)cc1	167237720	BXBVDQUEFPZGEN-ZQIUZPCESA-N	247.426	4.897	0	10	BJAE	
CCCCCC/C(C)=C\CCNC(C)(C)C	212004260	SLHGVFUFJSGNOC-OWBHPGMISA-N	225.420	4.681	0	10	BJAE	
CC(C)(C)c1c[nH]c2c(Cl)cc(Cl)cc12	232514970	XPWLEZUCVLPZQK-UHFFFAOYSA-N	242.149	4.772	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@H](C)C[C@H]1C	250828069	OWHGOQLAMBCCCD-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)C1CCC(C)(C)CC1	305938586	LBKBXOKHCNAACZ-HIFRSBDPSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(CCC(=O)C[C@H](C)CC(C)C)cc1	306005393	VWZIYRUADCZKKM-OAHLLOKOSA-N	246.394	4.569	0	10	BJAE	
CC[C@H]1CC[C@H](c2cc(F)cc(F)c2)CC1	309168983	KHJBIOPDYODABS-XYPYZODXSA-N	224.294	4.649	0	10	BJAE	
CC[C@H](N[C@H]1C=CCCCCC1)c1cccs1	310066622	GHOMYZJWMJMHAH-KBPBESRZSA-N	249.423	4.678	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)CCC1CCCCC1	310250689	KCROQAOSYBBONJ-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@@H](C)[C@@H]2C)cc1	310467298	AHAHNVRSRQSDMU-RSUWNVLCSA-N	231.383	4.657	0	10	BJAE	
CCN[C@H](c1ccccc1CC)[C@@H](C)CC(C)C	310757078	NXUNPRBUAGOQME-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC)CCC[C@@H](CC)C1	316905637	PMEAXKMUQVCQKB-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@@H](C)[C@@H](C)CC	319547790	NIBJEVAXINFPKI-VGWMRTNUSA-N	241.463	4.863	0	10	BJAE	
CCCCCc1ccc(N[C@H](C)[C@@H]2C[C@@H]2C)cc1	321906149	OQFKGSCDMMNCAE-JJRVBVJISA-N	245.410	4.876	0	10	BJAE	
CCC[C@H](N[C@@H](C)c1cc(C)cc(C)c1)C1CC1	324081993	HUWWFPSOIRFYLI-YOEHRIQHSA-N	245.410	4.533	0	10	BJAE	
Cc1cccc([C@H](O)[C@@H](C)C2CCCCC2)c1C	380946452	OBVNEYIGKCWGBW-WMLDXEAASA-N	246.394	4.553	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCC1(C)C)C1CCCCC1	383741097	CGIBGRTYBLYJRN-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@H](C)CC(C)(C)C)c1	384881159	JWSJRZITGYKNKJ-CABCVRRESA-N	247.426	4.779	0	10	BJAE	
CC/C=C/CN[C@@H](C)c1ccc(CCCC)cc1	385041007	REHIDVBCPSTQDA-VFADXPBXSA-N	245.410	4.646	0	10	BJAE	
CCC(CC)(CC)CNC[C@@H]1CCC[C@H](C)C1	391169235	KGLODWUJEPFRPL-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCc1cccc(C)c1NCC1(C)CCCC1	394667175	NQKZVPXWHCETGV-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H](C)c1ccccc1	394875917	WOKIANLVUMCLTJ-WBVHZDCISA-N	247.426	4.724	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CCCc1ccccc1	395218199	LDPITOAVTCYIDY-INIZCTEOSA-N	248.410	4.587	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@@H](C)CC	395407430	ZPCPIVKDQICNMB-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](CNc1ccc(C(C)(C)C)cc1)C1CCC1	398628906	JDOARZMAVQFLGT-ZDUSSCGKSA-N	245.410	4.832	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@@H](C)C(C)(C)C	399137126	XLVGTWZBJXLEEH-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCCC1CCC1	688822409	XOKINXCMHZLYJR-HNNXBMFYSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1CC2CCC1CC2	691647482	FYQOVENZCAFOQM-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1cccc(C(C)(C)C)c1	691649964	HRORNEAJWPJGAY-XJKSGUPXSA-N	247.426	4.810	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCC[C@H]2C[C@H]21	691742771	HTYHCOXSOZIKHY-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H]1CCC[C@H](C)CC1	695056756	XMWKJAHWDUOSHC-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@H](C)C(C)(C)CC)[C@H]1CC1(C)C	695154968	YXASYOCGWRPJTE-MCIONIFRSA-N	239.447	4.616	0	10	BJAE	
CC1CCC(C[C@@H](N)[C@@H]2CCCC3(CC3)C2)CC1	695982709	GOBKATDKNBWDAK-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC/C(C)=C/CCNCC(C)C	696800091	QUCGPNBLCHVZAE-OQLLNIDSSA-N	239.447	4.785	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCCC[C@@H]1CNC	696807509	SCQQSLJUPAPADD-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC(C)NC[C@]1([C@H]2CCCC[C@@H]2C)CC=CCC1	704836855	ZRNNNBIVQDPZHW-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(CCC1CCCCC1)C(C)(C)C	704921543	LQTXHAYQPGRIDN-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C(C1CCC1)C1CCC1	704991106	UEATYRSWQPAQLP-SWLSCSKDSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]3C[C@H]32)CC1	710606792	HPAKKLYNXBJSLJ-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC[C@H](C)C(C)(C)C)c1ccccc1	710758988	DAXMYQSWURAOTR-HOCLYGCPSA-N	247.426	4.800	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)[C@@H]1CCCCC1(C)C	713124945	KGBXXGUYLLUQJS-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@H](CC)C(C)(C)C)CC(C)(C)C	713170116	UAXAPQSGFPLILG-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C/CCc1ccc2ccccc2c1C	713656187	LHYSZIUHYZJSGE-SNAWJCMRSA-N	222.331	4.823	0	10	BJAE	
C=C/C=C\CCC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	713695949	PSHZOJWPVIEDBS-RDIZVCBXSA-N	234.383	4.540	0	10	BJAE	
C=C/C=C\CCC1(CNCC)CCC(CC)CC1	713704277	XXGKMYUEWYMCOX-FPLPWBNLSA-N	249.442	4.705	0	10	BJAE	
CC(C)c1ccc(NCC[C@H]2C[C@@H]2C2CC2)cc1	714862617	DIACMDSWMSUVQT-DOTOQJQBSA-N	243.394	4.658	0	10	BJAE	
CCc1cc(NCCC(C)=C(C)C)ccc1C	718504730	FCLXBMJWGSFLPG-UHFFFAOYSA-N	231.383	4.716	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1cc(C)c(C)cc1C	718684868	AXZAFHBYPNPNEK-QGZVFWFLSA-N	246.394	4.782	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCCC1(C)C	718713483	YYJWBQNGZHQGQJ-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCc1ccc(NCCCCC2CC2)cc1C	720129886	KGOMOSTXGXUNQU-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
Cc1ccc(NCc2cccc(Cl)c2C)cc1	1461070258	LASOTZVWTGUEOY-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
Cc1ccc(SC[C@@H]2CCCC[C@H]2C)s1	1613865533	DMFHYMHFSXDAAU-PWSUYJOCSA-N	240.437	4.975	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1CCCCCC1	1901059297	UQWUXYILIOPJHO-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1CCCCCC1	1901142327	DTUQJYSKJFSQES-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)[C@H](C)C(C)C	1901711594	BXRRBDACBMVXMG-HUUCEWRRSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@H](C[C@H](C)CC)NCC	1905435321	QCPIIPGLOLMUDW-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)[C@@H](C)C(C)C)CC1	1909710517	HHMYGRYFLQUKGT-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC(C)(C)C)NCCC=Cc1ccccc1	1911862788	ADDOXIBWHWXCCO-HNNXBMFYSA-N	245.410	4.504	0	10	BJAE	
CC=CCCN[C@@H](C)c1ccc(CC(C)C)cc1	1911961295	YTVVRRJVFRZLJY-HNNXBMFYSA-N	245.410	4.502	0	10	BJAE	
CCCC1CC(CN[C@@H]2CCC23CCCCC3)C1	1921225263	MCYKZFQBFDUQTP-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)[C@@H]1CCC[C@@H](C)C1)C1CCCCC1	1924097961	DTOWKJYTJBMAHH-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@H](C)C1CCCCC1	1924101278	QTLZUPZVRGELBI-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCCC(=O)[C@H](C)C1CCCCC1	1924137585	BKJAKEATOVHIOK-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCC(C)(CC)C(=O)CCCCCC1CC1	1936419871	OFGSLPXFDJLOMI-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)c1cnc(C2C[C@H]3CC[C@H](C2)C3)s1	1937826680	NEIKDFQNXLKSOZ-QWRGUYRKSA-N	235.396	4.560	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)CCCC(C)(C)C	1940257100	XHDIDWLBLKISJE-INIZCTEOSA-N	241.463	4.848	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](O)CC1(C)CCCCC1	1940409861	ZIGBDDRZWCFORA-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCNCC(C)(C)C1CCCC1	1940760599	YTESHPYULSLSCD-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2C[C@@H]3CCCC[C@@H]32)n1	1941709301	LIJHKPMKCTWEIQ-ZDEQEGDKSA-N	249.423	4.950	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC2CCC=CCC2)C1	1941985469	JVIKXQCRXSGDSL-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C1(C)CC(C)(C)C1	1941985634	LZKYKAHHYNMOFW-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CCCC[C@H]1C(C)C	1942660255	KKXZMJWPPDYNKR-HRCADAONSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)C(C)(C)C(C)C	1944669412	ZFOJZOVGNJQZNQ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@]1(CC(C)(C)C2CCCCC2)CCCN1	1946186805	BKLVCGWYQMTCBU-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC=C[C@@H](C)N[C@H](c1cccs1)C1CCCC1	1947046767	IEINZFXQSKTCOJ-DOMZBBRYSA-N	249.423	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc(C)cc1F	1947454444	BCKODDWKPIIRGN-OCCSQVGLSA-N	235.346	4.515	0	10	BJAE	
CCCCC1(CNCC(C)C)CC(C)(CC)C1	1948408188	ZXXCTKWORKMREN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCC(C)(C)CC1)C1CCC1	1949040790	WGHMRYFNDQBELM-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@H]1CCC(C)(C)C1	1949403388	PRPRZPBNOXWWSX-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](CCCCC1CCC1)CC1CCCC1	1949864544	OLCZAYQJEQSZCD-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC(CCC(=O)CC2CCCCC2)C1	1949922831	NMUXVJBVVYHGQL-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(Cl)cc([C@H](N)CC2=CCCCC2)c1	1950553434	CCLCRQZTJGWPQZ-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cc(C)c(Cl)s1	1960262886	WJTOFALYEOZWBK-WPRPVWTQSA-N	246.803	4.570	0	10	BJAE	
CCC1(CC)CC(NC[C@H]2C(C)=CCC[C@@H]2C)C1	1963182660	NFTNGPFEJBEELH-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
C1CC[C@H]2CC(NCCCCC3CC3)C[C@@H]2CC1	1965903347	LJYIVGAMTMCZMH-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCC[C@H]1N(CC1CCCCCC1)CCC2	1966618822	YFZPWQWMLLVZMI-IAGOWNOFSA-N	249.442	4.611	0	10	BJAE	
Cc1cccc(NC[C@H]2CCCC3(CC3)C2)c1C	1968254232	DBKTVQDTLFOCIM-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)c1ccc(CC)cc1	1973168072	CIFGGEGKGFGRDI-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1C[C@@H](C)c2ccccc21	1973315675	LBZMOXYNDRVKPP-CZUORRHYSA-N	245.410	4.651	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CNC1(C2CC2)CCCCC1	1973782591	YKIZUZMFWXMKHH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC=CCCCC(=O)C1CCCCCCC1	1984575895	SVDRUCZIKSLTEF-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
Cc1ccc(C(C)C)c2c(C(C)C)coc12	1995466767	WOLADYXLPACAKS-UHFFFAOYSA-N	216.324	4.988	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)C1CCC(C)CC1	1996555110	QDVOGCPYACDBPD-YHNBSYBMSA-N	239.447	4.617	0	10	BJAE	
CC(C)Sc1ccccc1N[C@@H]1C=CCCC1	1996563503	GAQVWOYDNWBLGF-CYBMUJFWSA-N	247.407	4.708	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CC2(C)CCC2)CC1	1997116142	JGQGTABDLISOOD-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@H]2CC)cc1	1998753717	XPEOOCKYTGVLKB-GDBMZVCRSA-N	231.383	4.630	0	10	BJAE	
CCC(CC)(CC)[C@H](O)[C@H]1CCCC(C)(C)C1	2000041268	KLEPGAXRTXFSCJ-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C(=O)c2ccc(C3CC3)s2)CCC1	2000192157	ONGYVEMQAAYCER-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CCCN[C@@H](C)C1CCC2(CCCCC2)CC1	2000274186	NHPAGAFUKGKPDA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)C(CC)(CC)CC	2001153501	KDPYTTALZYEFNE-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC)CC[C@H]1CC12CCCCC2	2001219915	RFVQYWQAFJJNGF-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC1(C[C@]2(N)CCC[C@H](C(C)(C)C)CC2)CC1	2002513776	DSPHJKOAWMZDNV-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CC1(C)CC1)C1CCC(C)(C)CC1	2002514776	JLFIRQAISZSKAB-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCCC(=O)[C@]1(C)CCCCC1(F)F	2002583993	WJLYQLAOOPCWDK-ZDUSSCGKSA-N	244.325	4.518	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C[C@@H]1CCCC2(CC2)C1	2003191636	PODTWAOWIOAAPA-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2CC[C@@H](C)C2)CC1	2004337390	QSJAOPQKXSQDRC-QVOMUQBLSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CNc1cc(C)cc(F)c1	2004706578	OOQMNLKHUMUICR-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CO)CCCCC12CCC2	2005579412	JDMVKJMEUYKVPC-GOEBONIOSA-N	238.415	4.536	0	10	BJAE	
CC(C)CCC[C@@H](N)[C@H]1CCCCC12CCC2	2005592049	MUKNKZQRJUCNGW-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]1C[C@@H](C[C@H](C)CCC)C[C@@H](C)C1	2006624635	RKILJGVEYWQXEC-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCC[C@@H]1F)CC(C)(C)C	2006738640	KZSGSJODPMLKJW-UPJWGTAASA-N	242.378	4.546	0	10	BJAE	
CC1(C)CCC(C)(C(=O)CC2=CCCC2)CC1	2007681717	PGCIBGURCOUVJD-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC1CCC(C)(C(=O)C2CCCCCC2)CC1	2007682579	BIQUQRJMVQVWJF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)c1sc(C)cc1C	2007940526	SBIOHUKIBPRMRG-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CC[C@H](C)c1csc(C2(C3CC3)CCCC2)n1	2008473324	NMCHVTGGXWZLQG-NSHDSACASA-N	249.423	4.878	0	10	BJAE	
CC=CCCC[C@@](C)(N)C1CCC(CC)CC1	2009577623	MJDKRQYBQAXTRQ-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H]1CCCC[C@H]1CC	2009635829	QYLNSKGOYAKIBC-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C)CC1)c1ccsc1	2010620914	FXFJHKXCHQWORO-DOMZBBRYSA-N	249.423	4.535	0	10	BJAE	
CCCN[C@@H](CC(C)C)C1=CC[C@H](CC)CC1	2010716196	VSMWIDNOFFXGDZ-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](O)CC1CC(=C2CCC2)C1	2011056913	HZKQYDZWENILNA-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCC[C@H]1C[C@@H]1C	2011580483	DZPLFQIJLNMMIW-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCNC2(CCC2)C1	2011860785	MAAOOSSOWKQJFA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CCC[C@H]1CC1(C)C	2013307827	ZUFPCYLOHGINMG-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@H]1CCC1(C)C	2014850376	VHLLKSNGENRBKB-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)CCC(C)(C)C	2016143924	HOBIZGCUWASFLU-LSDHHAIUSA-N	239.447	4.926	0	10	BJAE	
CCCC[C@](C)(CN)CC1(C(C)(C)C)CCC1	2017140783	KPFLQKPWWUTYSM-HNNXBMFYSA-N	239.447	4.748	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@]1(C)CCCC(C)(C)C1	2017623401	PTNWYOUQXJTRFT-HOCLYGCPSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC(=O)[C@@H]2C)CC1	2017774620	QWXOQWZXBWHKQB-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)NCC[C@@]12CCC[C@H]1C2	2018138988	NBLGUCKFBUOPBV-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCC[C@H](C)CC2)CC1	2018925617	UZKZXPFVDSHNSF-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC1CC(C)(C)C1	2019189058	UXCKHJZGEHJXMP-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CCC[C@@H](CC)C1	2019203644	QQVASOPPYKQDOZ-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CCSc1ccccc1NC[C@@H]1C[C@@H]1C(C)C	2022476764	DXTYYQIPRSQROE-QWHCGFSZSA-N	249.423	4.503	0	10	BJAE	
CCCCCC[C@@H](N)[C@@H]1C[C@@H]1C1CCCCC1	2022549530	KHXCBRLHRDWTCC-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](C[C@H]1CCCC(C)(C)C1)NC	2024100343	BUFDTONUXXOWBH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@H]1CCCC(C)(C)C1	2024100602	DNVVILHMIZXHIY-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
Clc1ccc2[nH]c(C3CC4(CCC4)C3)cc2c1	2024287067	PHKMDSOKZQILLI-UHFFFAOYSA-N	245.753	4.869	0	10	BJAE	
C[C@@H](CC1(CNC2CC2)CCCCCC1)C1CC1	2027615567	XDDIUKNKDZLREL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc([C@H](O)CCC2(C)CC2)cc1	2027727054	WSUCRTUDEOSMLR-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](CC2CCC=CCC2)NC)C1	2028897923	QGXBLEAWIUNVRZ-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@H]2C[C@H]2C1)C1CCCCC1	2032296542	DQAKGWZUDMICHK-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc2c(c1)C(=O)C[C@H](C(C)C)CC2	2034535078	ZGTWFAAUKAWGOD-OAHLLOKOSA-N	244.378	4.601	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CC[C@@H](C)[C@H]1C(C)C	2035406362	BJBAJKHGHUMIPM-HFBAOOFYSA-N	249.373	4.617	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)cc1C	2035406917	FIWXYCRGFJHIKM-XYPHTWIQSA-N	245.410	4.786	0	10	BJAE	
CCOc1cccc(N[C@H](C)[C@H](C)CC(C)C)c1	2036382482	LXXBRTCBCPVGLW-ZIAGYGMSSA-N	249.398	4.568	0	10	BJAE	
CCCc1ccccc1[C@H](N)C(CC)(CC)CC	2037115785	PAOLDHTWAUZSQE-INIZCTEOSA-N	247.426	4.855	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)c1ccc(C)cc1C	2037167814	ADVKIRVRYVSEBO-KRWDZBQOSA-N	245.410	4.614	0	10	BJAE	
CC(C)[C@@H]1CCCCN1[C@H]1CCC2(CCCC2)C1	2037683822	VQKPPLHMTBIBMA-HOTGVXAUSA-N	249.442	4.610	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)CC1CC2(CCC2)C1	2037981919	HUJGHLRIGNHIBI-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@H]2CCCC[C@@]23CCNC3)CCCCC1	2038649051	JQXSEVMIQKRMRD-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@@H]1CCC[C@H](C)CC1	2039370682	RMNPLPIQEUZVKG-LZWOXQAQSA-N	249.398	4.537	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C=C(CNC(C)C)C(C)C	2039434163	HNWBKNWMPOUVEV-WBVHZDCISA-N	249.442	4.559	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNC2CCC3(CC2)CC3)CC1	2041384216	SLIXZDIBCGIDFT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCNCC1(CCC[C@H]2CC2(C)C)CC=CC1	2042098736	LLOYNSNUTZNPFE-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCCC23CCCCC3)C1	2045527121	MMKLNUMHBXVHJS-OAHLLOKOSA-N	249.442	4.754	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CC(C)=C[C@@H](C)C2)CC1	2045560421	NSTQNMHNRXSZOE-KKOFPSKJSA-N	248.410	4.764	0	10	BJAE	
CC(C)(CNC1CC2(CCCCCC2)C1)C1CC1	2046226967	RNZAZKIBILYYLF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C[C@@H]2CC23CCCC3)CC1	2047011547	XXVPPYPBAKVUMZ-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1CC1)[C@@H]1CCC2(CCCCC2)C1	2048127041	GZFVHITVNAAFIP-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1[C@H]2CCCCC[C@H]21	2048479037	SHNRZCUQJVUFKT-MUJYYYPQSA-N	244.378	4.509	0	10	BJAE	
C[C@@H](C1CCCC1)N(C)C[C@H]1CCC=CCCC1	2049430598	JAPUOFUGIMHFAY-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CCCC(C)(C)C1	2049490750	SDMVUGXIADOCOY-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2CC23CCCC3)C1	2049509117	QIRZYMFNNRBMNH-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@H](NC[C@@]1(C)C=CCCC1)[C@H]1CCC[C@@H](C)C1	2049532297	JYDMLQPBFGIBFI-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCN(C[C@H]1CCCC2(CC2)C1)C1CCCCC1	2049932541	JTDADCMXCDAZRK-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CN(CC1CCC1)C1CCC2(CCCCC2)CC1	2051644118	AKAHVUPWZRZGDL-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
N[C@]1(C[C@@H]2CCC=CCCC2)CCCCC12CC2	2053312009	ZVYLJGZMTLQHAW-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
NC[C@@]1(CCCCCC2CC2)CCCCC12CC2	2053420454	YMWJLXDDGVOEAJ-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@H]1CCC[C@@H](C)CC1	2053668126	SQPVKPWZUOJEOH-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@](CNC(C)(C)C)(C2CC=CC2)C1	2053692909	AMCFRMKZRAKJQQ-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@]1(C2CC=CC2)CCC[C@H](CC)C1	2053695322	SQRYNQIDWGJNKP-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)[C@H](N)[C@@H](C[C@H](C)C2CCCCC2)CC1	2055527501	QBFXSNVAOYJVKQ-XKQJLSEDSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H]2CCCCC23CCC3)CCC1	2055548803	FKWUHFPVJUWUDU-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC1CCC(C)(C(=O)CC2CCC=CCC2)CC1	2056538847	BBOYTULIIDXZSG-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
O[C@@]1(C=C2CCCCC2)CCC2(CCCCC2)C1	2056864130	XRNXWPYZXJQMQF-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
NC1(C=C2CCCCC2)CC2(CCCCCC2)C1	2056913769	MBSVLGWPWQWGHS-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)C1=CC[C@H](C)CC1	2060925636	MDRGEFOVXYVWBP-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2=CCC(C)(C)CC2)C1	2061086692	AFUYKVNHSOWCNK-VNQPRFMTSA-N	249.442	4.667	0	10	BJAE	
CC1([C@H](O)CC2CC(=C3CC3)C2)CCCCCC1	2061685292	PIWACLNRJNBZIT-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCC1CC(=C2CC2)C1)C(C)(C)C	2061741509	MSHSOZPNGPIODA-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCCC23CC3)c(F)c1	2062016883	KQYDGSJJPUHSAB-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
C[C@]1(C(=O)CC2C[C@@H]3CCC[C@H]3C2)C=CCCC1	2063418606	MLVXIYPQDQXMAQ-ZOBUZTSGSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC12CC([C@H](N)CCC1CCCCC1)C2	2063994035	NOSNAQOSZJZMHR-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)CC12CCC(CC1)C2	2065273630	YWMTWIATOZBGPA-CGBMDKKTSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC23CCC(CC2)CC3)C1	2065275388	SCASWKPMEHIGIF-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
O=C(CC1=CCCCC1)CC12CCC(CC1)CC2	2065280859	ZPWLEVAGSYRXRH-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
C[C@](N)(CC1CCCC1)CC12CCC(CC1)CC2	2065337066	JKEDYDQIPKLHNF-WIHSUSGWSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@H](N)CCC(C(C)C)C(C)C)cc1	2068995898	SWDSOTYFMVNFDZ-QGZVFWFLSA-N	247.426	4.703	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C[C@@H]2CC23CCC3)C1	2069175503	BQHXLMKCZQTNSR-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@]2(CNC3CC3)CC2(C)C)CCC1	2069342278	NHGRHTZLMBZWNI-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C1(CC2CCC2)CC1	2069581846	UYCWWSARURUYEP-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNC1CC2(CCCCCC2)C1	2071479254	OJYABRMZGYUNNF-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(CNC23CCC(CC2)CC3)CCC1	2071949865	LSQHORDVQKRWJN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCCN1[C@@H]1CCC2(CCCC2)C1	2071963223	UDMWMMQHMKIHNK-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2072428490	GGRLPOIOGOIPFI-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C[C@](N)(C[C@H]2CC[C@H](CC)CC2)C1	2072821957	PUYPCPPPDJWANQ-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC23CC(N)C3)CC1	2072822049	QRMKANUSJMYIIF-OLGJIQAVSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@]2(CNC(C)C)CCCC23CC3)CC1	2074624757	URNFEHNMHBVCRV-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCN(CC1CCC(C)CC1)c1ccc(C)cc1	2074889894	VTCGYGAVGYJLPN-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CCN([C@H]1CCC12CCCCC2)[C@H](C)C1CCC1	2075009714	APYUDHXOQIBGOX-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1cccc(C)c1C	2077197388	RBIGPKGHHMFBNU-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
C[C@@H]1C[C@H](C[C@H]2C[C@](C)(F)C2)c2ccccc2N1	2077717542	RFSZHQITFYMZTM-BRXULGCHSA-N	247.357	4.503	0	10	BJAE	
CCCCc1ccc([C@@H](C)CCNC(C)C)cc1	2077919956	GHZMVCMMBWKHES-HNNXBMFYSA-N	247.426	4.521	0	10	BJAE	
CCCCCc1ccc(C(=O)CC2CCCC2)o1	2077977319	AACGGBIUENXWFH-UHFFFAOYSA-N	248.366	4.775	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H]1C[C@H]1C1CCCCC1	2079432991	XCUDVJVZJVDHBN-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2C[C@H]2C2CCCC2)CCC1	2079833315	SSRIKBFOWCJZQA-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2079859864	ASJXOQGPNANHEJ-DNNBLBMLSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(NC[C@H]2C[C@H]2C(C)(C)C)c(C)c1	2080018989	JPQBRFOMBFTSNP-HUUCEWRRSA-N	245.410	4.706	0	10	BJAE	
N[C@]1(C=C2CCCCC2)CCC[C@@H]2CCCC[C@@H]21	2081141212	ORMMZFNTMFIYQQ-ULQDDVLXSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CNC(C)(C)C)[C@@H]1C=CCC1	2081682144	OBQVPPFDKYBBNV-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(=O)CC2CCCCC2)c(F)c1C	2083348354	CKFNUAJDJOAZCJ-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCCCC[C@H](CC)Oc1cc(C)ccc1C=O	2086297747	IFAKRBRYUPKLIZ-HNNXBMFYSA-N	248.366	4.545	0	10	BJAE	
CC(C)CCC[C@H](O)CCCCCCC1CC1	2213577896	GYVYTXCMHLUBFD-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
Cc1ccn([C@@H]2CCC[C@H](C(C)(C)C)CC2)c1	2214625483	CRYKHFGDWRPPNI-LSDHHAIUSA-N	233.399	4.964	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@H]1CC[C@@H]1C	2214920540	UCZMTCDEPDZASX-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](CC[C@@H]1C[C@@H]1CC)NC	2215255144	QNPFOUJGOXYSGI-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@@H](CC(C)C)C(C)C	2215347795	ZJYZONQQRUXQDB-ILXRZTDVSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)CCC2CCCC2)C1	2215388470	SATMKHWORRXIFZ-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CN[C@H]1CCC[C@H](C(C)(C)C)C1	2216252178	IPJVHDXWTYJTBQ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](NC[C@@H]2C=CCCCC2)C1	2218045535	GLMDPSCEOZFNDF-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC=C(C)C)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218357779	IDAKVLJEVBNPEQ-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C[C@@H]1CC12CC2	2220032017	ZZUZJOMCJNTHDC-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@]1(CCCCC1CC1)CNC1CC1	2220045839	PILQQDJGPUFIQH-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2220961858	OTIRYHHFJMMBJP-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CNC2(C)CC3(CCC3)C2)CC1	2220978066	MPSDKSUBVMFRDQ-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CC2(N)CCC3(CCC3)CC2)C1	2221038997	HLJOIDSAHYGKBP-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@@]1(C)CC=C(C)CC1	2221615118	KHCBYMVNHOVDGR-SJORKVTESA-N	247.426	4.612	0	10	BJAE	
CCC1CCC(C(=O)[C@@]2(C)CC=C(C)CC2)CC1	2221642068	BFLWUUWVXYTDPX-DQPZFDDXSA-N	248.410	4.908	0	10	BJAE	
CC[C@H](NC[C@@]1(C)CC=C(C)CC1)[C@@H]1CC1(C)C	2221643084	LYYNMEBPRMLQPB-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC[C@@H](C)C2)CC=C(C)CC1	2221661829	FQWGFHHQBFZESX-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@]1(CNC2CC2)CC=C(C)CC1	2221668046	NRIQPKTVXZQYAU-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](CNC2CCC2)C2CCC2)CCCC1	2223549655	TZHJDNIXXXUVAH-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](C)[C@H](O)C[C@@H](C)C(C)(C)C)cc1	2223967054	BMRTUXBAJMLJAE-IJEWVQPXSA-N	248.410	4.532	0	10	BJAE	
Cc1ccc2nc(CC3CC(=C4CC4)C3)ccc2c1	2232304691	YNYUSQXUDKWFGG-UHFFFAOYSA-N	249.357	4.586	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1=CCCCC1	2243211305	UAGDLMLRCWJUHP-AWEZNQCLSA-N	222.372	4.662	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCCC(C)C)NCC	2244779542	DNNGGAHQIRGNOG-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(C)c1NCCCC[C@H]1C[C@H]1C	2247099888	WGYQWZMQEHLLTD-CABCVRRESA-N	231.383	4.542	0	10	BJAE	
CCC(=O)c1cccc(-c2sccc2CC)c1	2248014174	LAFPBCKMUMVKHZ-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)CCC(C)(C)C	2248818674	DKLHJXGPNKALBN-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCC1([C@H](O)CCCCC[C@H]2C[C@@H]2C)CC1	2248852527	JARNOFFDNAKVMQ-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC[C@H]1CCCC12CC2	2250358786	AUQMRNPOGMRUIG-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCCCC(C)(F)F)NC	2250371711	MPXSYMNVXWGQIG-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCCCCC[C@H](O)C[C@@]12CCCC[C@H]1CC2	2251175744	NXUZKAPFCWOSNA-JYJNAYRXSA-N	238.415	4.678	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@]12CCCC[C@H]1CC2	2251220263	XLUOZHTWUJWVIP-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CCC1CC(C)C1	2251750902	MKEFALDJJOGMGR-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC1CC(CCC(=O)C[C@@H](C)CC(C)(C)C)C1	2251761537	RVGAHUDQYFEMCP-ROKHWSDSSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C(F)F)[C@H]1CCCCCCCCC1=O	2253079463	NQDOZXRISMISIL-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
NC[C@@H]1CCCC[C@@H]1CC[C@@H]1CCCCC12CC2	2253887637	YETIFJLCRZLDOJ-PMPSAXMXSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC[C@H](NCC2CC3(CCCC3)C2)C1	2254085017	XMBNKMNSNBWWBB-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CCCC[C@H]2C[C@H]2C)c1	2254588031	RLNHUAHPPUMVCA-HLLBOEOZSA-N	246.394	4.553	0	10	BJAE	
CCCN[C@H](CCCC[C@@H]1C[C@H]1C)c1ccoc1	2254607932	USTYTPZYZNAPQJ-IIAWOOMASA-N	249.398	4.537	0	10	BJAE	
CCc1ccc(NCCCCC[C@@H]2C[C@H]2C)cc1	2257326881	PQZQCRPDSVKCQH-GDBMZVCRSA-N	245.410	4.877	0	10	BJAE	
CN(CC1CCC(C)(C)CC1)C1CCC=CCC1	2257951075	PUHCAYYQJLFTOJ-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@]12CCC[C@@H]1CC2	2260492289	QMJVJRPJVAYKEC-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc(NC[C@@]23CCCC[C@H]2CC3)c1	2260579792	TVHGXPQLOYVKTC-RDJZCZTQSA-N	243.394	4.686	0	10	BJAE	
CCCN[C@H](C[C@]12CCCC[C@@H]1CC2)C1(C)CC1	2260584285	UREUUSQZHRDTDN-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1c(F)cccc1F	2300500044	CRJSCACCBUTMFO-NSHDSACASA-N	241.325	4.592	0	10	BJAE	
CCC(CC)CC[C@@](C)(CNC(C)C)C1CC1	2300677216	XLAOPZOIGKQMDQ-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H](C(C)C)CC[C@H]1N	2300683868	OBJIHFGOPUCDIN-ARFHVFGLSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCCC[C@H]1CC	2300704513	RXQDYKLDIYCZIV-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CCCCCC1CC(N(C)CC=C(C)CC)C1	2300883966	MGDKNZACGRVDNY-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCC(C)=CC[C@@](C)(O)C1CCC(CC)CC1	2300901557	KNQIYJLTONFKPP-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
CC=CC[C@@H]1CCCCCCCC[C@H]1NCC	2300902267	SEMIGSQVYPJVTO-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(=CCC(=O)[C@]1(C)C[C@H]1C)CCCC(C)C	2300923412	IOKJPTGGOJURCF-GDBMZVCRSA-N	236.399	4.764	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H](C)[C@H](C)C(C)C	2301867821	VRJZXBIEDDYDQQ-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@H](C)[C@H](C)C(C)C	2301959274	RLGWPHVVYVEOEC-KLHDSHLOSA-N	241.463	4.719	0	10	BJAE	
C[C@@](N)(CCCC1=CCCCC1)CC1CCC1	2302331410	LODKNULZQNRUSJ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC1=C(C)C[C@](CN)(CC(C)(C)C(C)C)CC1	2303471753	AEASTGNNHHLBCJ-INIZCTEOSA-N	237.431	4.524	0	10	BJAE	
CC1=C(C)C[C@@H](CNCCCC(C)(C)C)CC1	2303552251	IUJVTRXDNSXRAJ-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(CC)CNCC[C@H]1CCC(C)(C)C1	2304407926	KTVDIDHJMXOLDB-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](N)CC[C@H]1CCC(C)(C)C1	2304433895	AQQKSQRQAMGAOG-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
C[C@@](N)(CC[C@@H]1C[C@H]1C1CC1)CC1CCCCC1	2308414657	IOJUXDNKPBDTBS-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309905629	GUKDNZDIIMPDTB-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC[C@@]23CCC[C@@H]2C3)C1	2310383783	XZSMBQKPJBEKIV-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](C[C@@]23CCCC[C@@H]2C3)C1	2311162627	RQGHDWFERMOHHN-LJIGWXMPSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)C[C@@]12CCC[C@@H]1CC2	2313331489	DCIOGMALVGISEQ-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(C(=O)[C@H]2CCCC[C@H]2C)ccc1C	2314698585	AILMHKFLCGYLMW-CJNGLKHVSA-N	244.378	4.566	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(N)(CC2CC2)CC2CC2)C1	2315439347	DBTLFMWKIQINBG-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@H](O)CCc1cccc(C)c1	2316245000	DVELNDPHGDJUHL-KRWDZBQOSA-N	248.410	4.505	0	10	BJAE	
CC(=CCC(=O)[C@@H]1C[C@H]1C1CC1)CCCC(C)C	2316507569	CEWUTOLTYYBHBF-JKSUJKDBSA-N	248.410	4.764	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)c1ccc2occc2c1	2317836852	IOCOHSBYKKQPAW-VXGBXAGGSA-N	244.334	4.544	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)[C@H]1C[C@@H](C)c2ccccc2N1	2317950360	IKYFYGVQMBEXNK-VWPFQQQWSA-N	245.410	4.903	0	10	BJAE	
CCCN[C@@H](C)c1ccccc1CCCC(C)C	2318388827	GSZCHPPENTVWLE-HNNXBMFYSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@H]1C[C@@H]1CC	2318597640	NAZWXLJOONVFAP-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1C=CCCCCCCC1CC1	2318952840	WPFUBKRQXBIHNC-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C[C@H]2CCCC23CC3)C1	2319127972	FQPJSRPPSRIKJK-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCCCCCc1ccc([C@@H](O)C2CCC2)cc1	2327900007	RBJGQMLSYHZGAU-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CCC[C@@H](CC)CN1CCC[C@H]1c1ccccc1	2328082311	AVSOKWMPHDQTCI-WBVHZDCISA-N	245.410	4.650	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CNC2CC2)CC12CCC2	2328200973	CUSQAFXBHSIHRR-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(C)cc1F	20371398	ZEJBVTYRXFQJDG-WCQYABFASA-N	237.362	4.761	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NC1CCCCCC1	21817413	GMXLMSNWBMRASM-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@@H](C)CC(C)(C)C)s1	40242323	ZQUFUQFRBVNXJH-PWSUYJOCSA-N	240.412	4.552	0	10	BJAE	
CCC(=O)CCCCc1ccc(C(C)C)cc1	41259601	XXDHVLHWPBJGKC-UHFFFAOYSA-N	232.367	4.502	0	10	BJAE	
CCC[C@H](c1cccs1)n1c(C)ccc1C	49546852	BKAGDTIHXNTKRH-CYBMUJFWSA-N	233.380	4.556	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)c1ccsc1	50343177	YZURWOZYLBYZTJ-STQMWFEESA-N	239.428	4.758	0	10	BJAE	
CC(C)CC[C@H](C)NCC[C@H]1CCC[C@H](C)C1	70537647	VSGDLXUGIUAUKB-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1cccc(SC)c1	70977210	AJXHDWYMDVEUNX-DOMZBBRYSA-N	249.423	4.789	0	10	BJAE	
CCc1cccc(N[C@@H]2CCC[C@H](CC)C2)c1	71105942	IRHZKTKGRXJNEM-GOEBONIOSA-N	231.383	4.630	0	10	BJAE	
Clc1cc(-c2ccccc2)nc2ccsc12	84193023	SCCOTIUNKLBPCZ-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CSc1cccc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1	84981232	XILNQYPBDNWIKB-MBNYWOFBSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CCCC(C)(C)CC1	86909374	WVNJVFXFXPMVBM-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CC1(CNC2CC2)CCC1	87411705	ODWGTYMDWVNOQC-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(CCCCCCNC)cc1	87740819	WSGZNLKYQMULGU-OAHLLOKOSA-N	247.426	4.522	0	10	BJAE	
Cc1ccc([C@H](O)C2(CC(C)C)CCCC2)cc1	94906620	FATFOFLKJSDCGS-INIZCTEOSA-N	246.394	4.635	0	10	BJAE	
CC[C@H](C)Cc1ccc(-c2ccccc2)cc1	95932628	YZVHGHFGYMRTAS-AWEZNQCLSA-N	224.347	4.942	0	10	BJAE	
CCCCCC[C@@H](C)CNc1ccccc1	114811500	CIHPQJLCFZMDSK-CQSZACIVSA-N	219.372	4.705	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)NCCCCC(C)C)c1	134296475	CZBYDOUOUUWFPS-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
Cc1ccc(C/C=C/c2ccccc2)c(C)c1	137571618	XZFFTEBTUIBXNS-RMKNXTFCSA-N	222.331	4.559	0	10	BJAE	
CCC(CC)CC1(CN)CCC(C(C)C)CC1	149839782	IOWKKZLHEQCDLG-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CCCCC[C@@H](N)C1CCC(CCCC)CC1	159588355	BTFVPYUZKDNGNI-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CC1=CCCCC1	161230614	STBYAXFZHCKVOJ-GDBMZVCRSA-N	237.431	4.811	0	10	BJAE	
CCN[C@@H](CC1CCC1)C[C@H](C)CC(C)(C)C	167137126	CKLBIQZFTDQINV-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(C(=O)C2CCC(C)(C)CC2)c1	168002017	CHUWBRSXHMOLKE-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H](C)CCC	168020197	KQMHEBJTKWGVQB-CHWSQXEVSA-N	212.377	4.598	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)C1CCCCC1	168022501	WUKPNTGQXMFOBD-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)c1nc2c([nH]1)CCC[C@H]2C	212910628	HBTGAQOBTQHJMX-LLVKDONJSA-N	234.387	4.533	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)[C@H]1CCCCC1(C)C	226827772	JCCBLOIGRGKRJC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(-c2ccc(NC)cc2)cc1	259052936	AOBTVCGYYLZMBM-ZDUSSCGKSA-N	239.362	4.909	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H]1CC[C@H](CC)C1	300143462	WNJRMVDXDOBXRT-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCCC1=CCCC1	300701824	SGIQQIDRJDOEHL-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H](C)C(C)(C)C)cc1	302417394	JKCGERNNVFTKEY-IUODEOHRSA-N	234.383	4.526	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)C1(CC(C)C)CCCC1	302574534	PXQHTBDURWMDQV-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccc(C2CCC2)cc1	305939237	AXLZFPZTINWOTC-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CC(C)C[C@H](C)CC[C@@H]1CCc2ccccc2N1	305950015	MTYIDQMQNQHDFX-GDBMZVCRSA-N	245.410	4.876	0	10	BJAE	
CCN[C@H](C)CC(C)(C)CCC1CCCCC1	305956279	NUTIKWFUBVHIKP-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@@H](CC)CC(C)C	308098866	QDGCVQBJDVSHIZ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1C(=O)C[C@H]1CCC[C@H](C)C1	310726593	ACLVPPCHKABMDV-KBPBESRZSA-N	244.378	4.648	0	10	BJAE	
CCCC1(C(=O)c2ccc([C@@H](C)CC)cc2)CC1	310965002	USQXZHIEXBAMHR-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CCC[C@@H](NCC)[C@@H]1CCCC12CCCCC2	313009337	JBSDIOZBYNSHRF-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@](C)(CC)C[C@@H](C)c1ccccc1	317446437	YREXHVGTSCZDLV-NVXWUHKLSA-N	247.426	4.596	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1cccc2ccsc12	318739630	KHTYWZVUBSLHTI-MJVIPROJSA-N	248.391	4.617	0	10	BJAE	
C(=C/c1ccccc1)\CC[C@@H]1Cc2ccccc2N1	323991702	HGZWLNWWBCRTQC-PEJPJJPESA-N	249.357	4.517	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@H]1CCC[C@@H](C)C1	380010090	BJCWRHPAMROBMG-LVQVYYBASA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@H](C)C1CCCCC1	381876025	MKKAYEPWOCOHDG-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@@H]1CC1(C)C	383320503	XOZGTXKBQFSEFI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(N)CCC(C)(C)CC2)C1	383600187	QBBREFXBDXKRCE-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC[C@@H](C)CNC(C)(C)C)c1ccccc1	384842245	ZVJKIFDBLBLUDA-CABCVRRESA-N	247.426	4.595	0	10	BJAE	
CC(C)c1ccc([C@H](O)C(C(C)C)C(C)C)cc1	385413509	UAAFNPVNOPHZGW-KRWDZBQOSA-N	248.410	4.772	0	10	BJAE	
Cc1cc(C)c([C@H](O)C(C)(C)C(C)(C)C)c(C)c1	386472647	HKTQBUBUIYELFH-HNNXBMFYSA-N	248.410	4.718	0	10	BJAE	
CC1(C[C@@H](O)c2ccc3sccc3c2)CCC1	386520045	DOTILQOKUIFTCX-CYBMUJFWSA-N	246.375	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CCC1=CCCCC1	395385245	SMDZNYUSZLGUNO-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)[C@@H]2CC2(C)C)c1	397579900	HGFGBVZXIFBWPK-DOMZBBRYSA-N	231.383	4.657	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@H](CC)CC(C)C	398909996	KXUFZEUDFAUIBP-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1cccc(C(C)C)c1)[C@H]1C[C@@H]1C	688940450	ROEWTQSXIDNQPQ-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2CC3CCC2CC3)CC1	691726740	GZJCJSYRLKLWGF-HPDBWDTBSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCCC1CC=CC1)C(C)(C)C	692020468	FQDYWOGHBHVIDM-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C1CCC([C@H](O)CC(C)C)CC1	695123995	FQCUSNNQHGVEPH-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC(=O)c1csc2ccccc12	696608386	FZECQUYIXIVPNJ-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CC(C)=CCCc1cccc(C2CCC2)c1	697988018	SJRFHMRTOFGGQD-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CCNC[C@]1(CCC=C(C)C)CCCC[C@H]1C	698031068	BKLNNVBDDHBDMC-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@H](O)C(C)(C)CC	701069443	RNJXNSWVTXXRAC-IMJJTQAJSA-N	248.410	4.613	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(N)CCCC12CCCCC2	704433644	AGXZTQXXXJWYCF-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(N)CCC12CCCCC2	705250755	FWXLHPZLWUVGGP-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1CCCC12CC2	706237715	UZGHLIOLASTXPF-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)c1coc2ccccc12	709123221	KEZOXUKWGHOYMN-NSHDSACASA-N	244.334	4.688	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1ccc(C(C)C)cc1	710232731	QMSMNWCJZSOMGV-HNNXBMFYSA-N	233.399	4.636	0	10	BJAE	
C[C@H](C[C@]1(N)CCC(C)(C)C[C@H]1C)C(C)(C)C	710724032	LZFPOLDIHSSRNU-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C[C@@H](NC)[C@H](C)CC(C)C)C(C)(C)C	711091475	AANMYFXDMSKKSR-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
Cc1cc2ccccc2n1C[C@H](C)C(C)(C)C	711141916	AJRGUQZIIHPRTH-LBPRGKRZSA-N	229.367	4.632	0	10	BJAE	
CCc1ccc([C@H](CC(C)(C)C(C)C)NC)cc1	713141145	MWAMKPNLTHVJBE-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CN[C@@H](CC(C)(C)C(C)C)C1CCCCCC1	713268391	PKBRWNRVQBYJID-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CCC1(CNCC)CCCCCCC1	713700477	KNHHAWCBXUEKGB-WAYWQWQTSA-N	249.442	4.849	0	10	BJAE	
CSc1cccc(NCCC(C)=C(C)C)c1	718625063	VLLZGYLEDPSXJH-UHFFFAOYSA-N	235.396	4.567	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)c1ccc(C)o1	718636342	WQUDGLZJPSKCFH-HNNXBMFYSA-N	249.398	4.765	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1CCC[C@H](C)C1	718650316	HESMNQJGGOZKMB-NUEKZKHPSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@](O)(CC)CC1CCCCC1	720971521	WDPYPTQFFCYOKP-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](C[C@H]1C[C@@H]1C)c1ccc(C(C)C)cc1	722612900	SOYKXHLZTYZEQH-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1C[C@H]1CC)NCCC	723071888	UXTVNYBQDOAUCX-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1CC(C)(C)C1)NCC	723566314	FKLADEZNYWYJAV-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CNc1ccc(C(C)C)c(OC2CCCCC2)c1	725411185	QEAFDHJTKCICLU-UHFFFAOYSA-N	247.382	4.563	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1NC[C@H]1CCC=CCCC1	1184250550	FICCEKWSKKUXCH-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@@H](C)Nc1cccc2cc[nH]c12	1560778890	HYBNNLSRIJKCRE-CHWSQXEVSA-N	244.382	4.795	0	10	BJAE	
C/C(=C\Cl)CS[C@@H]1C=CCCCCC1	1613734530	LRXBAVGCGCNLHO-WCSXMUFDSA-N	230.804	4.751	0	10	BJAE	
CCC(C)(C)CCN(CC(C)C)C1CCCC1	1652356939	AHKOPWFWLSKOKD-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC(C)[C@@H]1CCCCN1C[C@H](C)CC(C)(C)C	1653382377	UIBDUIBUKOUOJQ-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCC(C)=CCOc1ccc(C(C)C)cc1	1900825220	DDNBIRZGPGCGEG-UHFFFAOYSA-N	218.340	4.545	0	10	BJAE	
CCc1cscc1N[C@H](CC)C[C@@H](C)CC	1902390748	NFLFVEWGURYHNO-WCQYABFASA-N	239.428	4.937	0	10	BJAE	
CCCC=CCN[C@H](C)c1ccc(C(C)C)cc1	1914681813	ISIQDVVYYIHYAQ-OAHLLOKOSA-N	245.410	4.817	0	10	BJAE	
CCCC[C@](N)(CC)c1cccc(C2CCC2)c1	1920140510	UJRKXSWSDYGHBM-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
CC(C)C(C)(C)C[C@@](N)(c1ccccc1)C(C)C	1920492368	WBMRSVDHHGFQQK-KRWDZBQOSA-N	247.426	4.569	0	10	BJAE	
CC(C)C1CC(C(=O)CCC2=CCCCC2)C1	1921306972	BWIPRWQFFRDQSX-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@H](O)[C@@H](c1ccccc1)C(C)C	1921321475	YUHCIHBUTLMMOM-DLBZAZTESA-N	248.410	4.758	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)C[C@@H]1C=CCCCC1	1925911366	QVEIKSVDUOEGCI-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
C[C@H](CC[C@H]1C=CCC1)COCc1ccccc1	1932592945	NQSXKBQMMILTTJ-CVEARBPZSA-N	244.378	4.586	0	10	BJAE	
Clc1cccc(Cl)c1CC[C@@H]1C=CCC1	1932593749	VEODHJBPMWGCFV-SNVBAGLBSA-N	241.161	4.892	0	10	BJAE	
CCC1CCC(N)(C2=CCCCCCC2)CC1	1940190197	BJZDOYYOUMXDHB-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CC(C)CCC[C@@H](C)NCCC[C@@H]1CC1(C)C	1940877548	RIHQFFLOTAXHPP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@@H](CC)C(C)C	1941262603	HLTVUTHSEWWKQC-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)C(C)C	1941263824	FSQPBLKWWLSNAR-TUVASFSCSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)CCCCCC1CC1	1941582606	YHKRYWCVDHGHND-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@]12CCCC[C@H]1CCC2	1944223656	UFWHIPIMNMYASY-XJKSGUPXSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@@]1(CNC(C)C)CC12CCC2	1944503960	QELNTEYCJPAUJI-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](C[C@@H]1CCC[C@H]1C)NC	1944846061	MGIQXXMTGFGJPC-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](CN)CCC1CCC(C)(C)CC1	1945763379	JPQWXERFYBACOE-OAHLLOKOSA-N	239.447	4.604	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC[C@@H]1C(C)C	1947416633	BOKCSTUKJWGURV-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(C(F)(F)F)cc1C[C@H]1C=CCC1	1947562360	OWNZTFMGPGPAFE-NSHDSACASA-N	240.268	4.523	0	10	BJAE	
CC[C@@]1(C)C[C@@H]1NC1CCCCCCCCC1	1947878171	FGMXLYLGGDVRPJ-HOTGVXAUSA-N	237.431	4.658	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@H](C)CC(C)C)C1CCC1	1948326230	IGMRKFBFEIOBRQ-FMKPAKJESA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)[C@@H]1CCCC(C)(C)CC1	1950924086	XNOXFENOZBFAMP-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C)CNCc1ccccc1C(C)C	1962900521	KLBBNLMUVJTMKV-OAHLLOKOSA-N	247.426	4.582	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@H]1C1CCCC1)C1CCCC1	1967828348	RHOMREZOTKFODS-YESZJQIVSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)NC[C@H]1CCCCC12CCC2	1967865713	XIZJDMBHZNOOMH-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(NC(CC2CC2)CC2CC2)c(F)c1	1968326997	RAEOLOXVHDXCTB-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC(C)CN(CCC[C@@H]1C[C@H]1C)c1ccccc1	1970691979	OVFRPNUCBGDCGJ-HZPDHXFCSA-N	245.410	4.585	0	10	BJAE	
CCc1ccc([C@@H](C)NC[C@@H](CC)C(C)C)cc1	1973388184	WDZKWALBBNGQJO-GDBMZVCRSA-N	247.426	4.582	0	10	BJAE	
CCC/C=C/CNc1cc(Cl)ccc1Cl	1974576660	YVHXPGIQBWQZIH-SNAWJCMRSA-N	244.165	4.762	0	10	BJAE	
CCCC[C@](C)(CNCCC)CC(C)=CCl	1978646415	YMSSVZHHNZBDPX-AWEZNQCLSA-N	245.838	4.715	0	10	BJAE	
CC(C)=C(C)CCc1ccc2sncc2c1	1983559359	VERIWEZILADHAQ-UHFFFAOYSA-N	231.364	4.585	0	10	BJAE	
CCCCC[C@@](N)(CC)CCC(C)(C)CC	1990091846	RTOOERMPMLYYPW-HNNXBMFYSA-N	227.436	4.891	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@H]1CCCC(C)(C)C1	1994026366	PKJJANXSELXCKB-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@H](C)CCC	1995254376	RAXVMXMZDBKJJU-ZNMIVQPWSA-N	228.420	4.780	0	10	BJAE	
CC(C)Cc1csc([C@H]2CCC[C@H](C)C2)n1	1995444117	HMNDFQKQVSSINO-RYUDHWBXSA-N	237.412	4.635	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@@H](C)CCC(C)C	1996547343	NSCOBYSMKPKIOC-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@]1(N)CCCC2(CCCCC2)C1	1996646106	BERAFAXGTRMVKH-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCC(F)(F)C1=O	1997566937	JYTPFKWRZSZNNT-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C2(C)CCCCC2)C1	2000039270	VNCFTZXKDUCPIW-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](C)(CCCC(C)(F)F)CNCC	2000506257	ABPSMWYBQOKRII-CYBMUJFWSA-N	249.389	4.618	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)C1CCC(CC)CC1	2002922710	CGQJZFQSFHSHBD-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CCCC2(C)CC2)C1	2003019333	WYRNARPMSHERRY-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)CC1(O)CCCCCCCC1	2003110640	FTDNOWIDZVINBK-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@]1(C)C=CCCC1	2003319968	DOLOKSRJQNSBTF-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@]1(C)C=CCCC1	2003319969	DOLOKSRJQNSBTF-XHSDSOJGSA-N	238.415	4.700	0	10	BJAE	
N[C@@H](CC1=CCCCCC1)c1cccc(Cl)c1	2003672612	VMJYRSDHLDXHKL-HNNXBMFYSA-N	249.785	4.620	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCCC[C@@H]2C)CC1	2004343026	YHBOTEZVFRLAGD-JWMHWRSXSA-N	237.431	4.514	0	10	BJAE	
CC[C@](N)(C1=CC[C@@H](C(C)(C)C)CC1)C(C)C	2010739055	OYNQPUARSITPSS-CZUORRHYSA-N	237.431	4.523	0	10	BJAE	
CCN[C@@H](CC1=CCC(C)(C)CC1)CC(C)C	2010766101	CLGPFFYSBSTHLY-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
Cc1c(Cl)cccc1NCC1CC(=C2CC2)C1	2011081770	AZIFOHYBNDSSHY-UHFFFAOYSA-N	247.769	4.561	0	10	BJAE	
CCCC[C@H](CC)C[C@@](CC)(C(=O)O)C(C)C	2012420958	HFFBYQCHFBIBBV-DZGCQCFKSA-N	242.403	4.730	0	10	BJAE	
CC(=O)c1cscc1-c1c(C)cc(C)cc1C	2013667032	NKFORFMONPIBBX-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CC(C)[C@@H](C)C[C@@]1(O)CCCCC12CCCC2	2015283922	IRHPZOBRFKOVDY-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC1=CCC[C@]1(O)CCC(C(C)C)C(C)C	2015336405	QERYHWUDNPNCEL-INIZCTEOSA-N	238.415	4.556	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2(C(C)C)CCC2)C1	2017140380	GNVQTTCEIRDEHM-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H](C)C2CC2)CC1	2017654719	GLDMIHJFYRDTTR-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@H]1CC[C@H](C)CC1	2017720267	FTCTYGUIQYHSIB-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(CC[C@@H](O)C(C)(C)C)CC1	2017720751	UOACNRHLXBWMAK-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC(C)(C)CNC)CC1	2017732504	BKUMCYJKAVNEGM-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(CC[C@@H](C)CNCC)CC1	2017736993	ZOWLCUJEKIZQJY-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)C1CCCCCC1	2017745651	CSERFPJMCOJIIS-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CCCC1(CC(N)(CC(C)C)CC(C)C)CC1	2018977717	XWXFPNKWSDXIIW-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CCN1C[C@@H](C(C)C)CC[C@@H]1C	2019378824	ALGVSJWYNJVMLN-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1Cn1ccc2cc(Cl)ccc21	2022548237	WMGNLDOQCZZHJW-OCCSQVGLSA-N	247.769	4.587	0	10	BJAE	
CCCCCC[C@]1(O)CCC[C@H]2CCCC[C@@H]21	2022991270	HDEBQURRLUNVPD-PMPSAXMXSA-N	238.415	4.678	0	10	BJAE	
CC(F)(F)CCCCC(=O)[C@@H]1CCC(C)(C)C1	2023345545	HXOLBCQPNFFOPF-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCCCC(C)(F)F	2023365085	STHFMJYTLHQPDR-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](C)C[C@H]1NCC	2023617208	RDVYLWSPSUJLNG-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CN(CCCC(C)(C)C)[C@H]1CC(C)(C)C1(C)C	2025062746	UTVOUYBDCFBBRR-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)CC1(C)CCCCC1	2027301914	OIWABOMBLXAFEA-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CC[C@@H]1CC1(C)C	2027824627	DGIPSMQNEWOXEE-CZUORRHYSA-N	246.394	4.670	0	10	BJAE	
C[C@H]1C[C@@H](CCCC2(C)CC2)c2ccccc2N1	2027836360	JFIWMXSZXWQGNG-UONOGXRCSA-N	243.394	4.945	0	10	BJAE	
CCCN[C@H](c1ccccc1C)[C@H](CC)C(C)C	2028262285	JIOQGUNBPJGJAK-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CCC1([C@@H](O)c2ccc(C3CC3)cc2)CCCC1	2028592190	AOLRIHAHIMQDFX-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CC[C@H](C(=O)[C@H](C)CCC(C)C)c1ccccc1	2029839451	ZLXRAGSFPDHVKD-ZBFHGGJFSA-N	246.394	4.822	0	10	BJAE	
C[C@H]1C[C@]1(C)C(=O)c1ccc(C2CCCC2)cc1	2031745024	JYNJTPFYXPWCAJ-SJCJKPOMSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CC[C@H](NC2CC(C3CCCCC3)C2)C1	2033788018	RHEOKBVFKNYWRG-AKBUMOGYSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(CC)c(NC2CC3(CCC3)C2)c1	2034553653	ASSFZCQOZSSSRB-UHFFFAOYSA-N	243.394	4.556	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)C1(C)CC(C)(C)C1	2035593049	OSISDSZIEVQPKX-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC(C)NCC1(C[C@@H]2C=CCCC2)CCCCC1	2035601649	PRAGGJZAWGIRHK-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c2c(c1)N[C@@](C)([C@H](C)CC(C)C)O2	2036375657	QSXAKJVTADPDGG-CZUORRHYSA-N	247.382	4.506	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	2036659565	CSVDMSBIOPFSMF-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
Cc1oc2ccccc2c1[C@@H](N)CCC(C)(C)C	2037093333	BQCKPHAWSLPEFH-ZDUSSCGKSA-N	245.366	4.567	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)C1=CCCCCC1	2037100811	IOOVRWBMRNZNKD-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CCC1(C[C@](C)(N)[C@@H]2CC3CCC2CC3)CCC1	2037101737	IYPQNFCNXNNQQU-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@]2(N)CCCC23CCCCC3)CCC1	2037106154	ZWARDSJEIMFWOS-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCC2=CCCCC2)CC1	2037171196	CRCSWGBMJWFPJD-WBVHZDCISA-N	249.442	4.955	0	10	BJAE	
O=C(CC[C@@H]1[C@H]2CCCC[C@H]21)CC1CCCCC1	2038169507	ZQKQUEZYMYTLGD-FVQHAEBGSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@H]2CC=CCC2)CC1	2039381927	VCINIUWXPIPCDY-RDJZCZTQSA-N	249.442	4.668	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@]1(C)CC=CCC1	2042020153	VAZCVEOFXFKKPQ-IAGOWNOFSA-N	247.426	4.623	0	10	BJAE	
CCNC[C@]1(CCC2=CCCCC2)CC=CCC1	2042089037	LFBIPCYGXFOXKR-QGZVFWFLSA-N	247.426	4.603	0	10	BJAE	
CCc1cccc(C(=O)C2CC(C(C)(C)C)C2)c1	2043001221	QFISCXMXBQVZBY-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC1(CCN[C@@H]2CCC3(CCC3)C2)CCCCC1	2043608659	WHJALBINOUGZAW-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCC2(CCC2)C1	2043617164	YRZJPBNSJNXUON-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@H]1CCCCN1C[C@@H]1CCC=CCCC1	2045313409	YKNGYEUFLORAAC-IAGOWNOFSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@@H]1CCC=CCCC1	2045316992	IMWYEMPJVOABAY-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](C[C@@H]2CCC=CCCC2)C1	2045326759	QCXDSLIDCGQEDW-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCCCc1ccc(NCC2(CF)CCC2)cc1	2046890692	FQGYBYHBVHTUJY-UHFFFAOYSA-N	249.373	4.581	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC23CCC3)C1	2047937152	VTDDJECCSPLDNL-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@H]1CCCC2(CC2)C1	2049856933	PDJIRXDAYJNGTE-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@@H](O)CC2=CCCCCCC2)cc1	2050430069	KEKKXTJFEPRLJA-KRWDZBQOSA-N	244.378	4.699	0	10	BJAE	
Cc1ccc([C@H](N)CCCCCCC(C)C)cc1	2050430387	LUIVMXRYLMEOHQ-QGZVFWFLSA-N	247.426	4.991	0	10	BJAE	
CN[C@H](CC[C@H](C)CC(C)C)c1ccc(C)cc1	2050432304	VHRIZCBXGOFZJL-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@H](C)C2CCCCC2)CCC1	2055606476	CQVOAGPPRIDXJE-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H](C)[C@@H]1CCCC(C)(C)C1	2055669935	QLNPMFWDNFMELD-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
CC[C@](N)(CC[C@@]12CCC[C@@H]1C2)C1CCCCC1	2061618364	UQSOVTXEMRMYMB-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)(CC[C@@]12CCC[C@H]1C2)CNC1CC1	2061623089	PJISUHFFXSJBGA-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H](N)CC1CC(=C2CCC2)C1)C(C)(C)C	2061738048	YFNNAIQMRRQHGF-BLLLJJGKSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNc1ccccc1C1(C)CC1	2062640190	BBALIOVMOZEGMY-ZIAGYGMSSA-N	243.394	4.586	0	10	BJAE	
CCC1([C@H](N)CC2CC3(C2)CC(C)(C)C3)CCC1	2063204419	PHELKVMXZDZQKD-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC12CCC(CC1)CC2)[C@@H]1CC1(C)C	2065336890	HBBCMWIRQCLVOE-CPBWPMLKSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)CC12CCC(CC1)CC2	2065337664	BTENLUJMLGGMLM-RNONSGAXSA-N	249.442	4.501	0	10	BJAE	
CC1(CCN[C@@H]2CC[C@@H]2C2CCC2)CCCCC1	2071785361	GZPRCVQSTUCXPZ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@]2(C)CC=CCC2)C1	2072612983	XTMPKXGKSQFURT-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@@H]2CCC23CCC3)CC1	2072792551	BDHBRYGKUJZQNA-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)C=CCC[C@@H]2C)CC1	2072876370	ZOVRJXZLEPKGOR-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](N(C)[C@@H]1C=CCCCCC1)C1(C)CCCC1	2074807949	BLMQXOCPGDCVDS-HZPDHXFCSA-N	249.442	4.776	0	10	BJAE	
FC1CCC(CNc2ccccc2C2CC2)CC1	2077263140	LLJZNQAUYFNNFY-UHFFFAOYSA-N	247.357	4.504	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](NCC)[C@@]1(C)CC=CCC1	2079623909	AQWQMYXQLGRFMC-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@]1(C)C(=O)C[C@H]1C[C@@H]1C1CCCCCC1	2079854723	XMCULIDBSHLTAC-MMTVNHQJSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2C[C@H]2C2CCCC2)CCC1	2079864560	MSZBIUQOIHCZEX-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)C12CCC(CC1)CC2	2079865544	OOFCSZNYCUTXLP-DLOXAQCQSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@]1(CC=C2CCC2)CCC[C@H](C)C1	2081677426	LSCJKZFCVPOCAF-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2081790702	YPTOKVFLIPDLIH-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)CC(=O)CC1CC2(C1)CC1(CCC1)C2	2083609146	PUUJWDMNYIINFQ-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
C(=C1CCCNC12CCCCC2)C1CCCCC1	2083808309	BKJOKERKORJAIS-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H](C(C)C)C2)cc1C	2085239779	HLWWJSAFXAFZAB-DOTOQJQBSA-N	245.410	4.794	0	10	BJAE	
CCCCCC[C@H](N)c1sc(C)c(C)c1C	2211703189	CRUCXWPTZJJNSO-ZDUSSCGKSA-N	239.428	4.644	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCCCCC1CC1	2213595452	LWXKSIGHLPDQOY-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CCCCC1CC1	2214565491	NJTVRNZDGLTNBR-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](O)CCCCC1CC1	2214580887	MMWNHTIQPNOZBG-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC[C@@](C)(CCCCC1CC1)CNCC(C)C	2214580962	JJXDSUSLGRNEKO-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC[C@H]1C[C@H]1CC	2215257834	WRYGFSMEHGLNNB-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@@]2(N)CCC[C@@H](C(C)(C)C)C2)CCC1	2216257477	LQBWLHOOEUZWSV-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCNc1ccc2c(c1)SCC2	2216717085	HYYVYVKNSPKRFK-UHFFFAOYSA-N	249.423	4.573	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)C[C@H]1CC[C@H](C)C1	2217157110	QJEBHTJPUYDJDI-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@H](O)CCCCC2CC2)c(C)c1	2220028864	WSCFFGBVDLTBGX-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
N[C@H](CCC1C[C@H]2CCC[C@@H]2C1)C1CCCCC1	2220287971	CJYYZGLQFJSOKK-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](CNC2(C)CC3(CCC3)C2)C1	2220976385	SBIZZZJGLAAAFT-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C2[C@@H]3CCCCC[C@@H]23)CC1	2221640653	NUCHRLTXLANFRJ-CPUCHLNUSA-N	246.394	4.518	0	10	BJAE	
CCC[C@H](C)[C@@H](CN[C@@H](C)CC)c1ccccc1	2223546293	JYRAXUZAMSNDJG-YQQAZPJKSA-N	247.426	4.595	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H](C)c1ccc(C)cc1	2223962814	AAZBHFVDEWBJRL-OAHLLOKOSA-N	244.378	4.804	0	10	BJAE	
CCCC[C@@]1(C[C@@H](CC)CCC)CCCN1	2244774539	HAKXADFHJZIARB-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC1(C)CCCCC1	2244780328	GFKUWXPAKKZVEL-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CC1CC(C)(CC(=O)C2(C)CCCCCC2)C1	2246523315	HPQKRPYQBIWBIS-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@]1(CC[C@@H]2CCC[C@@H](C)C2)CCCN1	2246729901	UXTALGXAVBJNRQ-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(O)(CCCC[C@@H]2C[C@@H]2C)CC1	2247116697	AYQYJKMDXPTYLV-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC1(C)C)[C@H](C)CCC	2247415777	OSKIZWNSRBOBQH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)CCCC(F)F	2248843284	UCDORCXIXFKKJA-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@H](C)C1CCC1)NCC	2250374914	YNEXPWQBDDCOQL-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@H](N)CC(C)C	2250478827	MRJHWIHPKMGRFV-JKSUJKDBSA-N	241.463	4.993	0	10	BJAE	
CN[C@H](CCC(C)C)c1ccc2ccsc2c1	2253066925	CWNWBKZEMGCUDL-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2CCC3(CC2)C[C@H]3N)C1	2253943232	DIIQYUWUZQWEEW-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CC1(CNCC2CC3(CCCC3)C2)CCCCC1	2254083235	CPMZNDMUJWSMSX-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC1(C(=O)CC2CC3(CCCC3)C2)CCCC1	2254116121	RRJYHCXWEDBQKU-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1CC2(C1)CC(Nc1ccc(C(C)C)cc1)C2	2254158937	OFEJGNYNIRXYQX-UHFFFAOYSA-N	243.394	4.801	0	10	BJAE	
CC1CC2(C1)CC(C(=O)[C@@H](C)C1CCCCC1)C2	2254478393	FRWBYUQZAQHNCW-OJLCIWAESA-N	248.410	4.598	0	10	BJAE	
C[C@@H](NC[C@H]1CCC12CCC2)C1CCCCCC1	2254954640	NDXOLFKBGZYYKL-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H]1CCC[C@H](C)CC1	2255050905	MJAOHMBCYNWZQK-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@H](C)CCC(C)C)cc1	2256297587	WVEUNTPGTZDAMC-PBHICJAKSA-N	247.426	4.711	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@]12C=C[C@@H](CC1)C2	2257290111	LXQYTBODVUVZLO-DLTWYDFYSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@]1(C)C=CCCC1	2257305060	SXNOQPDVPUFWMB-HLLBOEOZSA-N	248.410	4.908	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CC[C@H]3C[C@@H]3C2)c1	2257879829	OHFMKYDHOXNKES-WOSRLPQWSA-N	243.394	4.585	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@H]1CCCC[C@@H]1C)C2	2259575717	AGWVKAJDWMCWNS-ZJVBCEJDSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H](C)[C@H](O)c1cccc(C2CCCC2)c1	2260729603	FHQGBNAKDNRVHF-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CCN[C@@H](CCC1CC(C)C1)C[C@H]1C=CCCC1	2261497913	QXCMLMONFLGRSS-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC[C@@H]1C[C@@H]1CC)NCC	2298126954	KVLFJCQTKZQHQR-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(=O)[C@@H](C)CC1CCC1)C(C)(C)C	2298905843	UUFDJCDNPFMRQG-GXTWGEPZSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@@H]1CCC1(F)F	2299039415	DVTZZWMYRMQIBU-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCCNC[C@H](CCC(CC)CC)C1CCC1	2300680149	ANOMJFZNXVVPGI-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@@H]1CCCC1(C)C	2300684920	ZBPLOTKRCICNED-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC=C(C)CC)NCC	2300873436	ZTRBXTWPXKULOK-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CCC(C)=CC[C@H](N)c1csc2ccccc12	2300875572	WUFLGDDFTKJQGU-AWEZNQCLSA-N	245.391	4.648	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(O)CC1CCCCCC1	2301135503	LBSYTZIWRJZJMC-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCCCc1ccc(F)cc1C1CC1	2301252463	ICZIFMQKPWJFSN-NSCUHMNNSA-N	232.342	4.992	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)NC1CCCCCCCC1	2301689214	QRISKKMPKJQQAE-CABCVRRESA-N	239.447	4.760	0	10	BJAE	
CC1(C)CC[C@H](C[C@](C)(O)CC2CCCC2)C1	2302710730	STWOPUYYBCMLFI-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](O)C2(C)CCCCC2)C1	2302711488	ZIEQJDURXCRNGV-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)C[C@H]1CCC(C)(C)C1	2302876779	XZMLFHOZKRDERO-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCc1cscc1NC[C@@H]1CCCC2(CC2)C1	2302888848	DEOHZFQYOSDHCK-GFCCVEGCSA-N	249.423	4.693	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1CCC(C)=C(C)C1	2303577845	UUJPQPWCTMOXEE-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
NC1(C[C@H]2CC[C@@H]3C[C@@H]32)CCCCCCCCC1	2310901931	PWTDGHZMBXQXMF-OAGGEKHMSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2311020892	DARXRDBKLJKAFI-MTERUZRBSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H]1C[C@H](C)c2ccccc2N1	2311573226	FAJDZJNJTPUFJJ-XGUBFFRZSA-N	243.394	4.801	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312869928	FYEIATGONDVVPG-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@@]12CCC[C@@H]1CC2	2313333791	PUXLRSCXNOLAFC-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@H](C)[C@H](NC)c1ccccc1	2316244844	CIEOZEDJSCFWRC-YOEHRIQHSA-N	247.426	4.800	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@H]1CCCC2(CC2)C1	2316503566	QGPPJFKHTDGKBP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@]12CCC[C@H]1CC2	2316509807	QVVPFAKHVXDNEH-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]1C[C@H]2CC[C@@H](C2)[C@H]1CC=C(C)CC	2316531634	HQEHPFSFYKJHJL-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@](N)(CC(C)C)c1ccccc1	2316536267	LIPBOYDUCBAQHX-KRWDZBQOSA-N	245.410	4.633	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@@H](N)CC2CCCCCC2)C1	2316869858	LJUYHHCSLVBPDI-XKQJLSEDSA-N	249.442	4.667	0	10	BJAE	
O=C(CC1CCCC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316875218	VMELLZTWRGUECL-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317113316	MGZGCXHGKJBWMM-KLHDSHLOSA-N	249.442	4.523	0	10	BJAE	
C[C@H](c1nc2ccc(C3CC3)cc2[nH]1)C(C)(C)C	2317183440	LVEQDJHHNAOVGK-SNVBAGLBSA-N	242.366	4.590	0	10	BJAE	
CCCCC[C@H](N)CC(C)(C)Cc1ccccc1	2317251731	MPEFMDHQUBCYKX-INIZCTEOSA-N	247.426	4.553	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CCCC[C@@H]1C	2317914774	GHOUQTACKJJIBH-WFASDCNBSA-N	249.373	4.940	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)CCC1=CCCCC1	2317948151	KHKLJMKDYQSHFF-GOEBONIOSA-N	248.410	4.908	0	10	BJAE	
C1=C(CCCN2CCC[C@H]3CCC[C@@H]32)CCCC1	2318576526	QAYNLHSOWXVADD-SJORKVTESA-N	247.426	4.532	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1	2319288737	LOGCPEVCTDOOGI-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@H](N)[C@]1(C)CC=CCC1	2320240996	QNZNANAHAPWGEP-QSJFSLAZSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)[C@@H]1CCCCC12CCC2	2320403799	PJMSNVJAILXOEX-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)CCCCC2CC2)CC1	2320410829	AZSUBMVWDOOOCX-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CNC[C@H]2CCCC2(C)C)CC1	2320413929	VJBYISZOWOXCJM-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CCC1(C)CCC(N[C@@H](CC2CC2)C2CC2)CC1	2320522646	CWMXWYWDWADKRP-CGZBRXJRSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCCCC23CC3)c1	2321089657	QDDYGAWOVRXKCN-HNNXBMFYSA-N	247.357	4.523	0	10	BJAE	
CCCCO[C@@H](CCC)Sc1ccccc1	2044369	BRKRLXUHABGGEF-CQSZACIVSA-N	238.396	4.722	0	10	BJAE	
CCCCCCNC1CCC(CCC)CC1	20549507	DUWQHYPYEPVONO-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)c1ccc(C)cc1	35541004	GQQHDEJADWUNHC-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCC[C@H](CC)CO[C@H](C)c1cccc(N)c1	40908499	CMOTVZLDIDPFFL-KGLIPLIRSA-N	249.398	4.563	0	10	BJAE	
Cc1nc(-c2ccc(C3CCCCC3)cc2)co1	57533674	BGWLYMRUBMBGKK-UHFFFAOYSA-N	241.334	4.698	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccc(C)c(Cl)c2)C1	70747681	VSOYCXSVWZKADC-NWDGAFQWSA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@H](CCC(C)C)NCCC	82434294	AVVTYMKMRADWRX-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
Cc1ccc(Cl)cc1Nc1ccccc1F	82715802	QKKIPVWTHHTEIH-UHFFFAOYSA-N	235.689	4.531	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC[C@@H](C)C[C@@H]1C	85098725	IPACVZQWQKRCIA-INWMFGNUSA-N	245.410	4.794	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(C)CCCCCN1	85874630	BUCPOSFMNRORNV-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)C1CCC(CC)CC1	87937791	ABEYRJQYRMPLHV-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C2CCCCCC2)C1	87947123	NMTPTTRZNIMCML-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc([C@H](N)CC2CC2)c(C(C)C)c1	104010619	KCFPJULFNVWQCQ-QGZVFWFLSA-N	245.410	4.733	0	10	BJAE	
CC[C@@H](CC[C@@H](C)N)c1ccc(C(C)(C)C)cc1	107537841	HNNHKTNUJRIUJH-KGLIPLIRSA-N	247.426	4.605	0	10	BJAE	
C[C@@H](Nc1ccccc1C(F)(F)F)C(C)(C)C	122937793	QGBNRMQAOARCBN-SECBINFHSA-N	245.288	4.552	0	10	BJAE	
CCCN[C@H](c1coc2ccccc12)[C@@H](C)CC	123070062	AFGCZCOBSIEBPR-LRDDRELGSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@@H](C[C@@H](C)CC(C)(C)C)NCC	124699480	APTZQZMWUYDJNI-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)NCCC1CCCCC1	125031337	WUBWLCNCKHBHCQ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)c(-c2ccc(Cl)cc2N)cc1C	132083128	LGAROXPRTJJQNL-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCCCCC[C@H](NCC)c1ccc(C)s1	133707724	PEZFYAJILSITGW-ZDUSSCGKSA-N	239.428	4.678	0	10	BJAE	
CC(C)=CCC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C	139494600	HJLNJJIMYWZBND-IHRRRGAJSA-N	206.373	4.805	0	10	BJAE	
CCCCCN(CCC(C)C)CCC(C)C	142085063	GBDHTNCAYGWSQJ-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)c1cccc(C)c1	148238156	UFEVCNRTUCEHDW-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CC1(C)C(=O)[C@H]2CCCCCCCCCC[C@@H]21	162334379	CDUINYALFUACRR-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
O[C@@H](C1CCCCCCC1)C1CCCCCC1	167722372	ROOXZIGGYAHLLE-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)Sc1ccc(-c2ccccc2)cc1	196218619	FFUBDYLPVRAMFY-UHFFFAOYSA-N	228.360	4.854	0	10	BJAE	
CC(C)[Si](Cc1ccccn1)(C(C)C)C(C)C	197991334	FDHBPGMKLJYFGM-UHFFFAOYSA-N	249.474	4.842	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](N)(C2CCCCC2)C1	230787729	ZYYUEUKEEDVRHD-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Oc1cccc(C)c1C	233916685	KRDDAJQPTZWUIS-ZBFHGGJFSA-N	232.367	4.651	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1N	251242971	AWUPCWUGNNHHLM-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@H](C)CC1	251863483	TUIWHPADPSXDLB-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@@H]1CC[C@@H](C)[C@H](C)C1	252906814	VJYLCWSUFVHEPR-XOUADPBQSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H]2CCC[C@H]2N1	300117796	WKYKHCBGQJEHGI-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
Cc1cscc1C(=O)CCC1CCCCC1	300720402	BGWWPVUSTUVKCP-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCN[C@H](CCCCC(C)(C)C)CC(C)C	300815533	GKTKLWOBZRREMP-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cccc2ccsc12	302397885	OLWOIMKJCXAFPW-RISCZKNCSA-N	247.407	4.727	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](O)(CCCC(C)(C)C)C1	305915966	KFDIMHXWFMPFLJ-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@H]1NCC(C)(C)C1=CCCC1	308758274	RDQQYQWDTMRIMU-ZFWWWQNUSA-N	249.442	4.537	0	10	BJAE	
NC/C(=C\C1CCCCCCC1)C1CCCCC1	310572587	BSSOHHMVZYYUAE-GHRIWEEISA-N	249.442	4.812	0	10	BJAE	
CC[C@@](C)(C/C=C/c1ccccc1)CNC(C)C	317547364	XPNVXEOWPRRMJD-KQPPXVQYSA-N	245.410	4.504	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](CC)C1CCC1	322301369	UTRXLTSVVGTLLI-HNNXBMFYSA-N	231.383	4.548	0	10	BJAE	
CC1CCC(N)(CC2CCC(C)(C)CC2)CC1	383453150	BAAQMQMHBNYNFE-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@H](C)CC(C)C	385328926	BKELWFJLGNYXOM-PBHICJAKSA-N	247.426	4.753	0	10	BJAE	
CC[C@@H](NCCC(C)(C)C1CC1)c1ccccc1	385539144	TZNVKBGPMTVKFL-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1ccc([C@H](N)CC2(C)CCCC2)cc1	385880717	BPZMSDSZCNXEIR-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CC2CCC1CC2	394353006	IELDXARCTLOOTI-SLTXQBBLSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)NCC1(C)CCCCCC1	394603220	DTSICHHZJOLGFU-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](O)C2(C)CCCCCC2)C1	394611376	SGQZXLCELNZXQZ-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@H]1CCC[C@@H](C)C1	395130129	QVSHYDAKGFUKSG-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@H]2CC=CCC2)cc1	402248201	NWDNKIUPKHGLJB-AWEZNQCLSA-N	242.362	4.739	0	10	BJAE	
CC[C@H](SCCCF)c1ccc(F)cc1F	532201722	BPFWGOWUSOAIPX-LBPRGKRZSA-N	248.313	4.509	0	10	BJAE	
CCC[C@@H](c1nc2ccc(CC)cc2[nH]1)C(C)C	587954672	ANSNNEOZIFAOCG-CYBMUJFWSA-N	244.382	4.665	0	10	BJAE	
C1CCC2(CC1)CCC[C@@H]2NCCCC1CCC1	688392695	HDSBTKRJGPBEFK-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CCC[C@H](C)C2)c1	688934974	FSQDRAVLEDLPQM-DZGCQCFKSA-N	244.378	4.819	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H](C)C(C)(C)C)c1	688939929	ZOJMWJNEEABYRP-GFCCVEGCSA-N	232.367	4.675	0	10	BJAE	
Cc1ccc(N[C@H](C)CC2CCCC2)cc1F	689793837	VFTOAHUZTYHSEN-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccc(C2CC2)cc1	690102215	ISCDPDRMMAWFAO-GUYCJALGSA-N	243.394	4.945	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCCCC[C@@H]2C)c1	691078438	IZFSBOSPXVAZHK-JSGCOSHPSA-N	235.346	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](O)CC1CCCCC1	696569015	VYDAJLWDZBNSFM-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1cccc(C2CC2)c1	696683103	KLWZWYDKKBCDKS-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)c1ccc(C(C)C)cc1	701152847	YXJNBMSZAZAPBO-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
CCCN[C@@H](CCC(C)(CC)CC)C(C)C	701153722	OBVRCWMJMRDSNB-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CCCC2(CC2)C1	704604086	DNRLOLFMHPFNHD-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@H](C)CC(C)(C)C)cc1	704684175	HPSMYKYTLVFQOJ-CJNGLKHVSA-N	248.410	4.916	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@H](C)CC(C)(C)C)C1	708313273	HFBXRQHBKYTTLX-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](O)(C[C@H](C)CC(C)(C)C)c1ccccc1	709070555	GLTYIHRICTWGFS-RHSMWYFYSA-N	248.410	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H](C)[C@@]23CCCC[C@H]2C3)CC1	709153776	JPWNODYMLTUZSQ-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(C[C@H](N)C23CCC(CC2)CC3)CC1	710263110	NIBHRQGEGRGFMN-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CCC(N)(C[C@@H](C)C(C)(C)C)CC1	710750696	BLCCELWUUSMMMN-VQCLRJIVSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@H](N)C12CCC(CC1)C2)C1CCCCC1	710979832	OHIYLHRVQZECKD-CGBMDKKTSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc2ccn(C[C@@H](C)C(C)(C)C)c12	711161901	CWIJTECSACTQFB-CYBMUJFWSA-N	243.394	4.886	0	10	BJAE	
CCC(C)(C)C[C@H]1C[C@@H](C)c2ccccc2N1	713137223	XKLACSIQMZHTRS-CHWSQXEVSA-N	231.383	4.801	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCC[C@H]1CNC(C)(C)C	713182052	FIAUFTHWACYOFC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CCC(=O)c1ccc2sccc2c1	713683444	KQNXNOUMPYEZAA-ARJAWSKDSA-N	242.343	4.606	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCCCC1(C)C	718723314	PGGJQBFCXKSWCG-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)[C@@H](C)CC(C)C	720358990	OEUKGESWNPJUQG-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1C)C1(C)CCC1	720772264	CBBUSTXSESYBNF-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC[C@H]2C[C@H]2C1	720985496	LPPSYKOZZWWKFX-MWDXBVQZSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@H]1CC1(C)C)NCC	723179517	RTYGLIAIPLZSGX-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C[C@@H]1CC12CC2	723180681	BBMGGUYTJQXGBA-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CCC=CCCC1	1561043339	VPZLBLJXQUXKEP-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)SC1CCC(c2ccccc2)CC1	1614922705	DMINLHQMOMFYQA-UHFFFAOYSA-N	234.408	4.854	0	10	BJAE	
CCCc1ccc(SC(C)(C)C)cc1	1775954347	FSCFEKINFCBEKE-UHFFFAOYSA-N	208.370	4.530	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CC[C@H](C)CC1	1900699709	DDQPAFVSUQIOBU-MQMHXKEQSA-N	224.388	4.598	0	10	BJAE	
CCC(C)=CCc1ccc2ccccc2c1	1900896600	CZIVJTFOAVORNC-UHFFFAOYSA-N	210.320	4.739	0	10	BJAE	
CC(=CC[C@@H](C)C[C@@H](C)O)CCCC(C)C	1900911940	PHJHDPKNZQXYBM-HUUCEWRRSA-N	226.404	4.556	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1cc(C)sc1C	1905399653	YCCDUQZRPVOJLA-OCCSQVGLSA-N	240.412	4.615	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1scc(C)c1C	1905430418	AYXBENMGAGJNIX-QWHCGFSZSA-N	239.428	4.581	0	10	BJAE	
CC(C)(C)CC[C@H]1CCCCCCCC[C@@H]1O	1913404716	PFABMHYPQNDBTE-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H]1CCC2(CCCCC2)C1	1915872832	UKUKZGPIUXQHGE-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CCNCC(C)(C)CC[C@H](C)C1CCCCC1	1916497515	RJLYQFYCKZIDPQ-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)[C@H]1CCCC12CCC2	1921585600	HHTXKFDWSZZJLA-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
Clc1ccc2[nH]c3c(c2c1)[C@H]1CCC[C@@H](C3)C1	1923459099	KPVRZWAIOXGSBA-ZJUUUORDSA-N	245.753	4.651	0	10	BJAE	
Cc1ccc(F)cc1NC1C[C@H]2CCC[C@H](C1)C2	1923472495	YFJHCKHNZGDHEV-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CC2CC(C)C2)c1C	1925130187	JOMWKSHBENTFNQ-UHFFFAOYSA-N	244.378	4.539	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C[C@@H](C)C1CCC1	1926153318	SKDIZZIIILYBJJ-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CC(CC)CC	1926355208	OSLMUDFKAOYVCY-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
CCC(C)(C)CC=C1CCC(C)(C)C[C@@H]1CN	1927163552	ZUCWNODFZSPRIE-CQSZACIVSA-N	237.431	4.524	0	10	BJAE	
CCC[C@H](C)CCN[C@H](CC)c1cccs1	1937268285	PJNOCHVTJDLHLX-QWHCGFSZSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)c1cscc1C	1938844431	YYTIXNKADGFVKR-JSGCOSHPSA-N	239.428	4.533	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C1CCCCCC1	1940789948	HXHGMJLISLVBCG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(CN)(CCCCCC2CC2)CC1	1941580970	FTDREUHWTJADIK-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1CC(C[C@@](C)(O)CC(C)(C)C)C[C@H](C)C1	1944197798	CQSUGMQFHNWQHB-XJKCOSOUSA-N	240.431	4.636	0	10	BJAE	
CC1(CCC[C@@H](N)C(C)(C)C2CCCC2)CC1	1944632854	WAELBDVPLAYCCR-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1CCC(C)(C)C1	1945581903	IWMUUCMBTKGIOE-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CCC1(C)C)C(C)(C)C	1945748713	MZRVJLSUWBDAFI-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC1(O)CC(C2CCCCC2)C1	1945952646	LKQJXPMCFWZHGE-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC1(O)C[C@H]2CCCCC[C@@H]2C1	1947842479	JTMITEDIWNIDJG-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@H]1CC12CCCCCCCCC2	1947878565	JTGDOBSSMSZALO-HNNXBMFYSA-N	237.431	4.517	0	10	BJAE	
CCN[C@H](CC1=CCCCCCC1)CC(C)C	1948846340	IFEREHWZTLYRJV-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CCCC(C)(C)C	1948983997	PQYYDBHXSSVKDG-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CCC[C@H]1CC1(C)C	1949055599	SFHXKEKVAHKVMU-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
O[C@H](CCCCCCC1CC1)CC1CCCC1	1949869210	HCANKUNZEPKQPD-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@H]1CCC2(CC2)C1	1950267391	LWNVXYLCQSIHEP-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@H]1CCCC(C)(C)CC1	1950913324	GHBHMRUYVJXLNH-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@]1(CNC)CCCC(C)(C)CC1	1950913333	GIZPYSMYERAQJB-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC1CCC(C(=O)[C@H]2CCC[C@H](C)CC2)CC1	1950930449	PASIUJZTKLKPLZ-LQULJDIASA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2C[C@@H]3CCCC[C@@H]3C2)CC1	1967703940	YOBLBDFLTDXECE-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccc(C2(C)CC2)cc1	1967843744	KVAKXIVEXCZVLJ-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H]2CCCC3(CCC3)C2)C1	1969006815	XMDITTPGNUYSFS-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CN(CC2(C)CCCCC2)c2ccccc21	1970522350	LZQUHJOKWUSTNA-CQSZACIVSA-N	243.394	4.581	0	10	BJAE	
CCCCCC[C@@H]1CCC(C)(C)CCC1=O	1984462090	KGSIKRKGBPLOEU-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
C/C=C/CCCc1cccc(C2CCC2)c1	1984604774	BSRPFRQOCQMJJV-NSCUHMNNSA-N	214.352	4.853	0	10	BJAE	
CC[C@@](N)(CCCC1(C)CC1)CCC(C)C	1986961644	ZHAQTTYKUAESBK-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC(O)(CCC)CCCCC(C)(F)F	1993579791	FJNWLSLVINIVBV-UHFFFAOYSA-N	236.346	4.533	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](Nc2ccc(Cl)cc2)C1	1994914598	OCIKLFGAQPIGEA-SMDDNHRTSA-N	237.774	4.577	0	10	BJAE	
CCC1(C[C@](N)(CC)C2CCCCC2)CCC1	1996567672	CMIYTTGRRPOAMG-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC)C1CCC(C)(C)CC1	1996595517	WIWPZHGRKJVLJJ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCC[C@H](CC)CC1	1997117234	PPBHLXGDFBTPMZ-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1CCC=CCCC1	1999981793	SADSHXSKGPYVLM-OAHLLOKOSA-N	236.399	4.908	0	10	BJAE	
CCCNC[C@@H](C)CC[C@@H]1CCC=CCCC1	1999991429	ASDYOKNXUWJPFK-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC1CCC(N)([C@@H]2CCCC(C)(C)C2)CC1	2000061637	GLFHPVKIDVBYAH-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2CCCCC2)C1	2000096930	NDINNHCIABWATG-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2CCCC2(C)C)C1	2000103148	YOSUFTIWVXRMOY-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCc1ccc(O[C@H]2CCCC(C)(C)C2)cc1	2000105209	IMYMGVJVRCPQGG-HNNXBMFYSA-N	232.367	4.597	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCCC(C)(C)C1)C(C)C	2000175391	CAKRTGRNPUWFAI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)CC1(C)CCC1	2000498871	DZTOOZWCYRQNPU-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)CC1(CC)CCC1	2000521070	QXQJACLMMXXAAX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](NC)[C@@H]1CCCCC12CCCCC2	2001579053	RXPHXWMDOCVOKA-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@@H]1[C@H]2CCCCC[C@H]21	2002801066	MPTQXNIVUWPBHN-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(O)CCC2CCCC2)C1	2002997363	CCVFZEJMZBULAI-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C1CCCCCCCC1)C1CC1	2003096564	YJJVKGFYAYPXBE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CCCCCCC2=O)C1	2003115753	DACANWJUTKBYEG-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CCCC(C)(C)CNC1CCC(C)(CC)CC1	2004350562	PXHOEBDKBBYMOQ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@H](C)C1(C)CCC1	2004823921	WXNJNDPHICFZPD-CQSZACIVSA-N	239.447	4.616	0	10	BJAE	
C[C@H](N[C@H](C)C1CCCCCC1)C1(C)CCC1	2004836914	ZMJKBHLMMDFHHQ-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC1([C@H](N)C2=CCCCC2)CCCCCCC1	2004922057	CTTLTPSGGWHDAW-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CCc1ccc(F)c(CCC(C)=C(C)C)c1F	2006612377	AGZJNOIYRHQJIC-UHFFFAOYSA-N	238.321	4.816	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1C[C@H](CC)C[C@@H](O)C1	2006634477	GSHDZVGPZTYKAZ-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@H]1CCC[C@@H]1C	2006757404	CTTSVFOEBJDBIC-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CCC[C@@H]1C(C)C	2007658510	BDJOKIVCCHUMOM-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H](O)[C@H]1CCC[C@@H](CC)CC1	2009589376	NHTXYNKARPGSBH-PMPSAXMXSA-N	238.415	4.700	0	10	BJAE	
CC=CCCCC[C@@H]1CCOc2ccccc21	2009589981	QPFFRWCCXASDPB-CQSZACIVSA-N	230.351	4.689	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CCCC[C@@H]1C	2009596112	NMFQLZGLELDQLA-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(NCCCCCC(C)C)C(F)F	2009700130	CFHJETZORPHZGB-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
CC(C)c1ccc(NCCC[C@H]2C[C@H]2C)cc1	2011584492	SPJHTFDRXALBFC-HIFRSBDPSA-N	231.383	4.658	0	10	BJAE	
CCCC[C@](C)(CN)CC12CCC(CC1)CC2	2012835625	YQVNVOXHHKUYPP-PCKAHOCUSA-N	237.431	4.502	0	10	BJAE	
CC[C@H](N[C@H](CC)CCC(C)C)c1ccco1	2013322169	LFFHUVMBPCGIOI-KGLIPLIRSA-N	237.387	4.535	0	10	BJAE	
CCN[C@H](C)c1cscc1C1=CCCCCC1	2013605816	XBXFGTQKOUDNKB-GFCCVEGCSA-N	249.423	4.766	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C2(C)CCCC2)C1	2014339339	LNAZXPFYIPNFOG-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CNCCC(C(C)C)C(C)C)C(C)C	2015359822	FPAJEPIEBOVAQH-OAHLLOKOSA-N	241.463	4.577	0	10	BJAE	
CC(C)[C@H](C)CC(=O)C[C@H](C(F)F)C(C)(C)C	2015380991	XBFCFZPSRJACAX-ZYHUDNBSSA-N	248.357	4.555	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H](CC)CC(C)C)CCC1	2015640784	WIHYKLNAJYSWNE-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(C)N[C@@H](C)[C@@H](C)CC1(C(C)(C)C)CCC1	2017146531	UIHMEKYGEBUXMW-KBPBESRZSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)CCCC(C)C)CC1	2017649189	SXZOCGBGAKWMCQ-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](C)CNC(C)(C)C)CC1	2017724799	OLNBKPNOGHMYFY-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCC[C@@H]2C(C)C)CC1	2018960631	NAMTVFNEIPDREZ-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCCN(C1CCCCC1)[C@H]1CCC[C@H]1C	2020535503	ICFGRGPRRFRFJK-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H](CC(C)C)C(C)C	2020975030	WYAVAILROVNBCY-CVEARBPZSA-N	239.447	4.639	0	10	BJAE	
CCN(C[C@H](C)C(C)(C)C)[C@H]1CCCC1(C)C	2022054139	MHQPTABDINGJCE-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@H]1C[C@@H]1C(C)(C)C	2022557060	KYLGYRNELAXTGZ-MCIONIFRSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H](C)CC(C)(C)C	2022689861	XKNDDYXRNIZLTK-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC(F)=C1CCC1	2023204529	LBVXRKMFELHCAJ-HNNXBMFYSA-N	241.394	4.590	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CCCCC(C)(F)F	2023289404	DQIKTFNOTDKHGU-STQMWFEESA-N	249.389	4.602	0	10	BJAE	
CCCCC[C@@H]1CC(C)(C)CC[C@H]1NCCC	2024123857	NFBWWCUCAQRTBE-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2C=CCCCC2)C1	2024125140	QIXWOICIWCMNMP-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CC(C)=C(C)CCN(C1CC1)[C@H](C)c1ccco1	2027024032	XMZLNNVNBXYUPH-CQSZACIVSA-N	247.382	4.551	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H](CC(C)C)C(C)C)c1	2028258794	VMUOVKRIIVAMHW-HNNXBMFYSA-N	246.394	4.804	0	10	BJAE	
CN[C@@H](c1cccc(C2CC2)c1)[C@H](C)CC(C)C	2028558585	YBLRVXNGNSNSDA-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1ccc(C2CC2)cc1	2028590348	IXKLLLAOCFIHFO-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
N[C@H](CCCCCC1CC1)C[C@@H]1C[C@H]2CC[C@H]1C2	2028631964	UQVAVGBBCVEQEU-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)[C@H]1CCC[C@@H]1C	2028898667	VFBBSBQEIQOSBO-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H](NCCCCC2CC2)CC2(CC2)C1	2030288314	MPVJEEFPXYIIJA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
OC1(C2=CCCCCCC2)C[C@@H]2CCCC[C@H]2C1	2034148474	MGEWJCMWYZRREM-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
Fc1ccc2[nH]c3c(c2c1)[C@H]1CCCCC[C@@H]1C3	2035858607	ALKTZNGVRDQECL-PWSUYJOCSA-N	243.325	4.527	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H]1CC12CCCC2)C1CCCCC1	2036099456	DMQRXBYVOQRKIH-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@](N)(C1CCCCCC1)C2	2036660867	MGDWEZKZCSBRLW-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c([C@H](N)CC2(C)CCCC2)cc1C	2037104393	LOEKKGDOYJKIEX-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@H](N)c1ccc2ccccc2c1	2037124478	JTXZAHZSHUUHNI-XNJGSVPQSA-N	241.378	4.522	0	10	BJAE	
CC1(CCC[C@]2(N)CCCCC23CCCC3)CC1	2037179069	GEWHNKIAIWDCKX-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
Cc1ccc(F)c(C(=O)[C@@H]2CCC[C@H](C)CC2)c1	2039379189	ZGTOJKPRHVMICW-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CC[C@](N)(C[C@H]1CC12CC2)C1CCC(C)(C)CC1	2040647287	LITFKZPSLUHJAY-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C1[C@@H]2CCCC[C@@H]12	2045312220	XQNJEKMYLUNHEL-RBSFLKMASA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC23CCCC3)CC1	2047066192	TYRIVSGGPWXLCZ-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CC[C@H](C)CC2)c1	2049635815	BDYGCVRJGNUXAE-HDJSIYSDSA-N	244.378	4.819	0	10	BJAE	
CCN[C@@H](CCC1(C)CCC1)c1ccc(C)cc1	2050442323	UYYSSDKSZBUABO-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2C=CCCCCC2)CC1	2051661768	YVKUOESKKLWIFG-KLAILNCOSA-N	249.442	4.824	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCCCC23CC3)CC1	2053314800	INPNTRGKCOHVRX-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CC2)C1(C)CCCCC1	2053324628	FIYGTAMHGYKEHW-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](NC[C@@H]1CCCCC12CC2)C1CCC1	2053436573	NNKIOZPUBFAPEN-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)[C@H]1CCCCC1(C)C	2053667576	QJKRQDRRGRPQQA-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)c1cccc(C(C)(C)C)c1	2055225760	LANUPYMKFGLAKH-DOMZBBRYSA-N	244.378	4.603	0	10	BJAE	
CC1(C)CCC=C[C@@H]1NCC1CCCCCCC1	2055533711	WMUWYWYJUZLOLE-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C1CCCCC1	2056876241	OQMXTZKWWAMYIA-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H](C=C1CCCC1)C(C)(C)C1CCCCC1	2056884895	XXHIZWMFFDAFQQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(CC(=O)C[C@@H]2CCC[C@H]3C[C@H]23)CC1	2057357561	LSROMUVOFCWPRY-XRLSCXDPSA-N	248.410	4.598	0	10	BJAE	
CN(CCC1(C)CC1)C1CC2(CCCCCC2)C1	2059244653	FHUCBQRUXJNMLJ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCCCC1CC(N)(CC[C@H]2C[C@@H]2C2CC2)C1	2059497374	MJMUOMGTXVEORD-CBUUIXETSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(N)CCC[C@@H](C)CC2)CC1	2061118612	IQIHOUXWDPYNBA-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CCCCc1ccc(NCCC[C@@H]2C[C@@H]2C)cc1	2062652065	MULMHTIZJMRXPP-GOEBONIOSA-N	245.410	4.877	0	10	BJAE	
Cc1ccc(NCC23CCC(CC2)CC3)cc1F	2065300287	LCMDYRFYVAISTA-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@@H]1CCC1(C)C	2068246497	WOKDFVPIVCUSDG-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc2oc(C(=O)C[C@@H](C)C(C)C)cc2c1	2068985622	ZUVYGGHJAXIFQB-GFCCVEGCSA-N	244.334	4.606	0	10	BJAE	
CCC1(CN(CC(C)C)c2ccccc2)CCC1	2069327805	RVDMZBADTLHKPC-UHFFFAOYSA-N	245.410	4.729	0	10	BJAE	
CC(C)(C(=O)C[C@@]12CCC[C@H]1C2)C1CCCCC1	2070959685	RDOJJJQVQIKSFB-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@]12CCC[C@@H]1C2	2070969437	AOEAZEKRJFGCLY-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@@H]2CCC23CCC3)CC1	2072792546	BDHBRYGKUJZQNA-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@]12CCCC[C@H]1C2)C1(CC)CCC1	2074024439	IHOJPSUPFYQEQF-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@]12CCCC[C@@H]1C2	2074045617	GEQGTUSMRQNFEN-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C[C@H]2CCNC3(CCCCC3)C2)C1	2074137446	AUCMOZKXTNEQOV-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N2CCC[C@]3(C)CCC[C@H]23)CC1	2074863174	DAPZUDHSULLMGW-GQGLESIBSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCC3=C(CCCC3)C2)C1	2074896981	SLCWUJTWZMDVRW-RHSMWYFYSA-N	247.426	4.532	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CCCCC12CCCC2	2074897950	ZGEHISQAUITVCS-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2075565640	RARAVRHXIDFMNV-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
OC1(CCC2=CCCCC2)CCC2(CCC2)CC1	2075715141	FCIVKYHUNBSKQY-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
OC1(CCC2=CCCCC2)C[C@H]2CCCC[C@@H]2C1	2075719917	DYJATYHURNSFRE-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@@H]2C2CCC2)CCCCCC1	2079327108	DSVMKIMIMWIMOF-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
O=C(CCCC1CC1)[C@@H]1C[C@@H]1C1CCCCCC1	2079476916	SDWHDXWECAESCK-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(NC[C@H]2C[C@@H]2C2CCCC2)cc1C	2079642245	SMKJMLULJIMHDI-NVXWUHKLSA-N	243.394	4.542	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)CCC[C@H]3CCCC[C@H]32)C1	2081119613	WQRNXVDXZPPIIJ-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](NCCC)c1scc(C)c1C	2210568372	WDLYTYZHCZEVAQ-CYBMUJFWSA-N	239.428	4.596	0	10	BJAE	
CCCCCC[C@@](C)(O)CCCCC(F)F	2212224317	RVQDLXJGFHCMIW-CYBMUJFWSA-N	236.346	4.533	0	10	BJAE	
C[C@@](O)(CCCCCCC1CC1)C1CCCC1	2213577055	XOKGIOYTYKSNNH-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1CCCCCN1CCCCCCC1CC1	2213579609	UKUABVCCWXZREN-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
C[C@]1(C(F)(F)F)C[C@@H]1C/C=C/c1ccccc1	2213823767	XMYLMFKDGQEEJV-BVAIOKDQSA-N	240.268	4.678	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C[C@H](C)CC(C)(C)C	2215335696	AGAZKIUCWWTXGD-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CC(C)(F)C[C@H](O)CCCCCCCC1CC1	2216863618	QKVJXXURLKNAFS-CQSZACIVSA-N	244.394	4.626	0	10	BJAE	
CC[C@H](C)NC[C@@H](CCCC(C)(C)C)C(C)C	2217151988	AKXOWNDMBPRETM-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@](N)(CC1C[C@H]2CCC[C@H](C1)C2)C1CC1	2218356009	ILUSFJQDPKXBPV-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)[C@@H]2CCCCC23CC3)C1	2221015044	FTYNOVBOVFJJHT-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](NC)[C@]2(C)CC=C(C)CC2)CC1	2221628870	XZWFUCWMJBYQON-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](CCCC(C)C)(CNC2CC2)CC1	2221669651	YYKMEIDBNQMEPX-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
FC(F)CCCCNc1ccc2ccccc2c1	2222558728	OVODACKCSLTMBC-UHFFFAOYSA-N	249.304	4.687	0	10	BJAE	
CC[C@H](C)NCC1([C@@H]2CC2(C)C)CCC=CCC1	2223595190	BBONVYGHASKHHG-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1ccc(C2CCC2)cc1	2223681075	LGQMNRBCIDIASC-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CC(C)=C(C)CCc1ccc(F)c(Cl)c1F	2243046503	BKULZSRXLKEWDC-UHFFFAOYSA-N	244.712	4.907	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@H](C)CC(C)(C)C	2244783323	PDZYBGGEUOYKFL-HZSPNIEDSA-N	227.436	4.602	0	10	BJAE	
CC(=O)C[C@@H](C)CC[C@H](C)CCCC(C)C	2244845434	PEOLRHJOEXLHLL-KGLIPLIRSA-N	226.404	4.844	0	10	BJAE	
CCC[C@](C)(CC[C@H]1CCC[C@H](C)C1)CNC	2246661439	AEZCZIDRAJNFHM-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H](C)C2CCC2)C1	2246662409	GQNWJGPBIPHISL-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)CCN(C)CC[C@H]1CCC[C@@H](C)C1	2246678264	HUSGLALYYIACLM-ARFHVFGLSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCC[C@H](N)CC[C@@H]1CCC[C@H](C)C1	2246697449	XEYUTYJBPXBUKW-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)(CCCC[C@@H]1C[C@@H]1C)C1CCC1	2247161640	CMBVPJMVMIPULK-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@](O)(CC2=CCCCC2)CC1	2247518789	RXKGGSHIAABVHH-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CNCC(C)(C(C)C)C(C)C)C(C)C	2248369992	FDNMJSDSIJKLRV-HNNXBMFYSA-N	241.463	4.577	0	10	BJAE	
CCC(C)(C)[C@H](O)c1cc(C)c2sccc2c1	2248569351	RTPIALIQQHQSTK-CQSZACIVSA-N	248.391	4.679	0	10	BJAE	
COc1ccc(CCC(C)=C(C)C)c(C)c1C	2248596500	SQIFPQXIKOGNJX-UHFFFAOYSA-N	232.367	4.601	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CCCC[C@]1(C)O	2248807074	NDQFEBWEQRAEGH-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1(C)CCCC1)NCC	2250351893	HTVWONPJTFZYKT-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CNC1CCC(C(C)C)CC1	2250386369	KUXFYSVTNOIDRF-FHERZECASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2Cc3ccccc3N2)C1	2253970699	MINIJXPSUJTPPC-FMKPAKJESA-N	243.394	4.630	0	10	BJAE	
CCC1CCC(C[C@@](C)(N)[C@H]2CC23CCC3)CC1	2256459481	RTXJTIKHIFSJRM-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@](C)(NC[C@@]23CCCC[C@@H]2CC3)C1	2260581357	DFQRNGRVRIAKSG-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1C[C@H]1CCNc2ccc(F)cc21	2261346306	CBZSMYQODATUPQ-NEPJUHHUSA-N	247.357	4.551	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	2298411024	GUERZPZOMWJWMC-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@]12CCCC[C@@H]1C2	2300477844	ZUFKIHNYAZRZDL-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@](C)(N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2300503069	IPPHSJAVMXEBQQ-FXUDXRNXSA-N	239.447	4.602	0	10	BJAE	
CCC(C)=CC[C@H](N)C1CCC(C(C)C)CC1	2300877636	SQBHZFMXKQPMIW-GPANFISMSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1CC=C(C)CC	2300901512	JZJFBEGJVCWULH-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC1([C@@H](N)CC2CCCCCC2)CCCCC1	2301148753	YOKFIEVGEZRVSR-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](c2nc(CC3CCC3)cs2)C1	2302254695	PHLGJSXHPXSZHQ-AAEUAGOBSA-N	249.423	4.779	0	10	BJAE	
Fc1ccc(CCCC2=CCCCC2)cc1F	2302344221	CMOIUSVLOURGHU-UHFFFAOYSA-N	236.305	4.788	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CC[C@@H]1C[C@H]1CC	2303587570	HZRSRJVGUTVUHP-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](O)C2CCCCC2)C1	2304351699	KAGIBSIKLPDZGZ-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(C)CCCCCN2)C1	2304411061	NNQCGEMMQHJXCG-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](C)(O)c1cc(C)ccc1C(C)C	2307512907	QSYCSOQGHWKAFM-MRXNPFEDSA-N	234.383	4.516	0	10	BJAE	
CCCC1CC(CN(C)C[C@H](CC)CCC)C1	2307746753	IIONDYWJFFXTFW-QQFBHYJXSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H]1CC[C@H](CC)CC1	2307898438	KCPKTKLMXXZHRK-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCC[C@H]1C(C)C	2307909917	WJFXXKZRIAXEKH-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309171855	UJXWCBZYUBIYQI-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C[C@@]12CCCC[C@@H]1CC2)C1CCCCC1	2313323881	LDCOPOWTHHZZBL-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@@H]1C[C@@H]1C1CCCC1	2316875418	WDKMRTXIOQLXHR-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
N[C@H]1C[C@@H](CC2CCCCCC2)CC2(CCC2)C1	2316877541	GGKAIGYLQKORGK-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1cc(F)ccc1C(C)C	2317927323	BGUAODHSNWWJBZ-CHWSQXEVSA-N	249.373	4.797	0	10	BJAE	
C[C@@]1(C2CC2)CCCN1CCCC1=CCCCC1	2318591649	AMPAPPGSOOBQQQ-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
CN[C@@H]1C[C@@H](C)C[C@H](CCCC2=CCCCC2)C1	2318592517	KBJGLXOBZCGSSZ-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCCC1CC1)CC[C@@]12CCC[C@H]1C2	2318874840	KLVZFTBQPQZEHQ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@@]1(C[C@H]2CCC(C)(C)C2)C=CCC1	2319289749	XLORCYFSMUXLIW-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(N[C@@H]2CCCC[C@@H]3C[C@@H]32)CCC1	2319328393	FQMSVGCEKKLPIC-HYVNUMGLSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@H]1CCC2(CC2)C1	2320234022	FBDBVVRGFNEHKO-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(CN)CCCC[C@@H]2C)CC1	2320326418	FKHOPKYYCUVTBR-BBWFWOEESA-N	249.442	4.668	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](C)[C@H](C)CNC2CC2)CC1	2320333172	DWEQOMUIFZNMRY-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)C2(CC(C)C)CC2)CC1	2320408663	MPVKMNAGYQFFLS-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
CCCCCC[C@@H](N)Cc1cccc(C(C)C)c1	2320648070	HYZDQNNAVZKGIT-QGZVFWFLSA-N	247.426	4.650	0	10	BJAE	
Cc1ccc(OCC[C@H]2CCC(C)(C)C2)cc1C	2321633402	KLYUMZBBMHQODK-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
CCCCCc1ccc(NC[C@H]2C[C@@H](F)C2)cc1	2327394162	BAACKUZLXFEEAU-GASCZTMLSA-N	249.373	4.579	0	10	BJAE	
CCC1CC([C@H](O)c2cc(C)ccc2C(C)C)C1	2327794225	HAJQTUQEPGPZAN-KVULBXGLSA-N	246.394	4.588	0	10	BJAE	
CCC[C@@H](CC)CN(CC)Cc1ccc(C)cc1	2328280597	BCWJGNCUBPXXPC-MRXNPFEDSA-N	247.426	4.643	0	10	BJAE	
CCCCCc1ccc(NCc2ccco2)cc1	21022183	BIJSMPUXTZYFDS-UHFFFAOYSA-N	243.350	4.624	0	10	BJAE	
CCCCC(=O)c1ccc([C@H](C)CC)cc1	36159797	UWPAEASACJYNEH-GFCCVEGCSA-N	218.340	4.573	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@H]1NC[C@H]1CC=CCC1	36920877	RXOWIAXXJPVUPL-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
Clc1ccc2cccc(-c3ccccc3)c2n1	70494137	WEOYNISVQLWPOB-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CCN[C@@H](CCCCC(C)(C)C)c1ccccc1	80424684	GQUPHTPQEWKVCJ-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
Cc1cc(C)c([C@H](C)NC[C@H](C)C(C)C)c(C)c1	81045176	KVYTVUDKPOUMOY-HOTGVXAUSA-N	247.426	4.555	0	10	BJAE	
CCCCCC[C@@]1(CN)CCC[C@@H](CC)C1	83782355	HKEKIDZNXIFARP-HUUCEWRRSA-N	225.420	4.502	0	10	BJAE	
CCc1ccccc1O[C@H]1CCC[C@@H](CC)C1	85151189	OIYFGMQBQNFCCS-HIFRSBDPSA-N	232.367	4.597	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CCCC)NCC	86315453	KMAHBVOIKQPLEO-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](NCCC2CCCCC2)CC1	86887773	RDGXBJGVONPRMS-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2ccccc2F)CC1	86893890	KHHYOUBNNQJZFB-GFCCVEGCSA-N	235.346	4.597	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(C2CCCC2)CC1	86955883	VZTDDURRRWFWKK-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C1CCCCCC1	87948082	BYGOZHZGDQGUGV-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)[C@H]1CCC[C@H](C)C1	93676241	ZRZBKSAEFVWRMJ-KUJSYROFSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)c1ccc(/C=C/CCC(C)=O)cc1	98125213	BYSARUAJXCCJNM-STMXVASLSA-N	230.351	4.583	0	10	BJAE	
CC[C@H](C[C@@H]1O[C@@H]1CC)c1c(C)cc(C)cc1C	107532798	GIRQZINFGJKHLW-OAGGEKHMSA-N	246.394	4.673	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)CC2CCCC2)cc1	109785477	YUMKXCWBLIVKPS-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CC[C@@H](NC1[C@@H](C)CCC[C@H]1C)c1ccccc1	109947244	MQNQDQJQTMGBLP-NUCGDHGJSA-N	245.410	4.552	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](CC2CCCC2)C1	110517812	AFURCWAOJIGXEJ-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1ccc(C)cc1C	124532686	NGCORYLUOFEUIG-NVXWUHKLSA-N	247.426	4.910	0	10	BJAE	
CCCCC[C@H](CC1CCCCC1)NCC	125364374	VVLJJRCDZPKWKJ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCc1cc(C(C)(C)C)cc(C(F)(F)F)c1	148434815	AOVRUHWJCIJSRE-UHFFFAOYSA-N	230.273	4.565	0	10	BJAE	
Cc1cc(C)cc(C(=O)C2CCCCCCC2)c1	158833510	YKJNLDQRVWRSIL-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1cccc(CCC)c1	159813407	PVULPGVSTSBSRE-RDJZCZTQSA-N	248.410	4.889	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C1(C)CCCC1	161083862	LTAVBSNSUPZJRS-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1csc2ccccc12	162085995	WMBRJXHXWZMUCX-BXUZGUMPSA-N	247.407	4.727	0	10	BJAE	
CC[C@H](NC1CCCCCC1)c1cccc(F)c1	166420583	YCAJGDUDCDDTRD-INIZCTEOSA-N	249.373	4.589	0	10	BJAE	
C[C@H](CC(=O)c1ccccc1Cl)C(C)(C)C	167812495	XOQOHEOLQAITEA-SNVBAGLBSA-N	238.758	4.595	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)c2cc(C)ccc2C)C1	227392043	UVSQFWQMFQEAQO-YQQAZPJKSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CC1CCCC1	228739405	OGVIDNDBUUMRCU-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC(C)CC1([C@@H](O)CC2CCCC2)CCCC1	229296505	KZRXFUQWGHNMRC-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCSc1ccccc1N[C@H](C)CC1CCC1	229691143	MSFBLYXHLVCCFN-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CC1([C@@H](O)C2=CCCCCCC2)CCCCC1	232840912	MKOWCKZIRFZYIP-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CN[C@H]2CCCC(C)(C)CC2)CC1	233040994	RURQKWAQNDOZKI-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Clc1cc(Cl)c2[nH]cc(C3CCC3)c2c1	236079562	KKFAOSNCDMQQDL-UHFFFAOYSA-N	240.133	4.742	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCCCC[C@H]2C)cc1	251453380	DQWMIJCHMIBFBK-HLLBOEOZSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	251855707	SFLAVUBTWUWBFV-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CC[C@H](C)CC2)CC1	253113904	DZRDJAHODRBPTD-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)[C@H](N)[C@H](c1ccccc1)[C@H](C)CC	300472458	YHZZSCPQQBUDFP-OHFALNGGSA-N	247.426	4.580	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@H](C)CC(C)C	300947892	PJDKATRPICCWNK-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H]1CC[C@H](O)[C@H](CCC2CCCCC2)C1	302266752	QDPQDAYLKXHYDL-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(C[C@H](C)CC(C)C)C1	302375117	PACOWIJFCDMUPL-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
CCc1cccc(N[C@@H](CCC(C)C)C2CC2)c1	302501480	LHXGRNAKCRZARF-KRWDZBQOSA-N	245.410	4.876	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(O)CCC1CCCC1	305897514	QFGBMFZZNSYNBC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc2c(Cl)c(C(F)F)sc12	307042786	CJQKPDWWYFFNNG-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCc1cc2sccc2c(CC)c1Cl	307067420	XRQXOVCBQDXUHY-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CC1(C)CCC[C@](O)(CC2(C)CCCC2)CC1	310526520	NCGABFHMXOGZEZ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@]1(CNC2CC2)CCC[C@@H](CC)C1	317545729	ADVZKKCYHJQFAH-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@]1(CNC(C)(C)C)CCCC[C@H]1C	318715696	KDELNMBRTCYRGI-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@]1(O)CCCCC12CCCC2	319059584	WTDHUFZSHKHWSP-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@H](C)[C@H](C)CC	319750546	XLGGFLKUEGKCAZ-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC(CC)CC)C(C)(C)C1CCC1	322301381	IHICFFIQCFWXON-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1CC[C@](C)(CC2(C)CCCC2)C1	380045331	TUOJVFYXMBTROU-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H]1CC[C@H](CCC2CCCCC2)C1	383123755	CTJVVUMCIDYXBL-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@](C)(O)CCCCCC(C)C	383133447	DGNHQBPKAOBGIE-OAHLLOKOSA-N	228.420	4.924	0	10	BJAE	
CCCNCC1([C@@H](C)CC(C)C)CCCCC1	383903271	NXNZAGSGFBWONF-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@H]1CCC[C@H]1CCC1=CCCCC1	384931704	IKZZHNWJNSEPQD-DLBZAZTESA-N	249.442	4.683	0	10	BJAE	
O[C@]1(C2=CCCCCC2)CCCCC12CCCC2	386835285	QTUKHBOLHBQXRU-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@@H](O)CC1(C)CCCC1)CC(C)(C)C	393842613	KCMDVBWKVVTMSV-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)CCCC	394581883	SYAYYPFSEGFUFH-ZIAGYGMSSA-N	214.393	4.534	0	10	BJAE	
CCCC[C@H](N[C@@H]1C[C@H](C)[C@@H]1C)c1ccccc1	395075472	JPHQHQASQZWAAL-NXNVCVFFSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(F)cc1NCCCC1CCCCC1	395187868	WSKTYQCDKCRODX-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCc1c(C(F)(F)F)sc2cccc(C)c12	396310488	VRZGGJNYEUVYPP-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CSc1cc(C)cc2sc(C(F)F)cc12	396411392	TZEYCYDQWSWPOG-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@H](Nc1ccccc1CC)[C@@H]1CC1(C)C	397637557	WONWTKIEHWOKSV-HOCLYGCPSA-N	245.410	4.876	0	10	BJAE	
CC(C)(C)c1ccc([C@H](O)CC2=CCCC2)cc1	400496995	IKAGWJFVFOLFCL-MRXNPFEDSA-N	244.378	4.518	0	10	BJAE	
CCCC1CCC([C@@H](N)C[C@H]2CC=CCC2)CC1	402149723	LXJDHPUTJGEJJC-XGHPGWEVSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccc2c(c1)CCCC2	404710936	RDCVGPJCYMAJCT-ZDUSSCGKSA-N	245.410	4.802	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)CCC(C)(C)C1CC1	405827760	RQKXERCKMAQBMF-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@]23CCCC[C@@H]2C3)c1	688938292	UDQKUCRYPCBYHQ-NVXWUHKLSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](c1cccc(C(C)C)c1)[C@@H]1C[C@H]1C	688940449	ROEWTQSXIDNQPQ-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CCCNCC1(CC2CCC(C)CC2)CC=CC1	690532101	GWZTZHDEZRPYHZ-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC(C)(C)CC(F)F	694657511	SDPPAQDLUOENMF-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
CC[C@@H](N[C@H](C)C(C)(C)CC)c1ccccc1	695136380	QLLMXXBLTIPUNR-UKRRQHHQSA-N	233.399	4.552	0	10	BJAE	
CCC(C)(C)C[C@@H](CC1CCC(C)CC1)NC	696249555	NCSDIWZMNGOCBX-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](CO)C1CCCCCC1	696831140	WHSJXUJGADGVNL-HNNXBMFYSA-N	240.431	4.782	0	10	BJAE	
CCC(C)(C)CC(=O)c1cc2cc(F)ccc2o1	697198549	OABOOUNZKWDVEN-UHFFFAOYSA-N	248.297	4.581	0	10	BJAE	
CCN[C@@H](C1=CCCC1)[C@@]1(C)CC[C@@H](C)C1(C)C	699011360	IZKHRUFPRWCPFA-UKPHBRMFSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)[C@@]1(O)CCC[C@H](C(C)(C)C)CC1	700943451	MMOHULXVCPEZOD-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC(C)(C)C)CC1(C)C	702164915	MPYPMVGEEJPWNX-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	704926538	LRCVZSFPKQAUPA-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
CCCC(N)(CCC)[C@H]1CCCC[C@@H]1CC	704976896	JGDSIHDNYMWHHU-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](N[C@H](C)[C@]12CCCC[C@H]1C2)C1CCCC1	709246763	OEQWRAGEACPQHI-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CCCC[C@H]1C1CC1	710135639	HEWUAAPGPZYNNK-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC[C@@H](C)C(C)(C)C)C1CCCC1	710752080	HJWREVNEXNDWLS-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1C[C@H]2CC[C@H](C2)C1	711067776	IETIRWHFFOUASN-QDMKHBRRSA-N	243.394	4.801	0	10	BJAE	
CC[C@H](C[C@@H](O)c1ccc(C)cc1C)C(C)(C)C	711209648	FLVCBLCYBCXZEZ-GDBMZVCRSA-N	248.410	4.799	0	10	BJAE	
N[C@H](CC[C@H]1C[C@@H]1C1CC1)CC1CCCCCC1	714769730	FNJLQGGOJNJEDZ-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCCNC2(C3CCC3)CCC2)CC1	717892235	DTHVFCGEQFWGOS-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)[C@@H](C)CC(C)(C)C	718637599	NHOOLEPJQIKSMU-UONOGXRCSA-N	226.404	4.556	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC/C=C\c1ccccc1	721701131	ASBWSJKKROGCGJ-RCBBPTIPSA-N	246.394	4.667	0	10	BJAE	
CC(C)CC(O)(CC(C)C)CC1CC(C)(C)C1	723547508	ILDHDRMMKQNLHO-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
Fc1ccc(-c2cccc(C3CCCC3)c2)cn1	1244987656	CZUCWCORSNSNOT-UHFFFAOYSA-N	241.309	4.545	0	10	BJAE	
CC(C)=CCC[C@H](C)NCc1cc(C)cc(C)c1	1461514150	PZADCYAAGQTUJT-INIZCTEOSA-N	245.410	4.528	0	10	BJAE	
C[C@H](C1CCCCC1)N(C)CCC1=CCCCC1	1642879366	BKNRSDXAPWFFAH-OAHLLOKOSA-N	249.442	4.778	0	10	BJAE	
CC(C)CS[C@@H](C)c1ccc2c(c1)CCC2	1651589194	BJYUGLDNYILIDC-LBPRGKRZSA-N	234.408	4.626	0	10	BJAE	
CCC(CC)CN(CC)C[C@H](C)CC(C)(C)C	1653148204	IVIRRBQADRCBEE-CQSZACIVSA-N	241.463	4.817	0	10	BJAE	
CC=CCCCC[C@@H]1CCC(F)(F)C1	1885359240	QWRCMCSSWXUDKM-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CCCCC1CC1	1900580539	ODKOGLGYIVGBOI-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCCC1CCC1	1900595797	CIBGLBVDMZNVMF-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCc1ccc([C@H](O)CCCC(C)C)s1	1900675011	DCEPWCBIQNPZPZ-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C[C@H](C)CC	1900838597	BOTJMPNUXWNMKZ-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCC(C)=CCc1ccc(CC(C)C)cc1	1900896859	FNQBISOYITYODU-UHFFFAOYSA-N	216.368	4.784	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CCC)C(C)(C)C	1905360801	MISWJPXNLMTVOP-DZGCQCFKSA-N	227.436	4.747	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CCC[C@H]2C(C)C)CCC1	1907592937	GNQOVPCWCDNUGT-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)CC1CCCCCC1	1908579037	ZRGDUFFQJOCDHK-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1CCC2(CCCCC2)C1	1915873132	UVCGTDJREYKGIN-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C(=O)C[C@H]2CC[C@H]1C2	1916090529	MREVVAKTMOHUFK-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@H](C)CCC(C)C	1919986405	HWTIKBDMNWHGLB-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CC2CCC1CC2)C1CCCC1	1924093727	SBEAZGONVFJMJD-XCAIRMDXSA-N	248.410	4.598	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@H]1C=CCCCC1	1925796119	WFAUFNLJOFVMQR-OAHLLOKOSA-N	239.362	4.696	0	10	BJAE	
C1=C[C@H](Cc2ccc3ncccc3c2)CCCC1	1925829423	GSKKQSYRIKHECO-AWEZNQCLSA-N	237.346	4.524	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1NC[C@@H]1C=CCCCC1	1925922204	RWTKUZVWMPQURD-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](C[C@@H]2C=CCCCC2)C1	1925943828	BMBLWDNKRVJKRD-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)cs1	1935907779	GHXNFSNGTUFWJN-UZWIWUQPSA-N	237.412	4.539	0	10	BJAE	
CC[C@H](C(=O)CCCCCC(C)C)C(C)C	1936212532	NVFZRJAGVOPWOM-AWEZNQCLSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@@H](CC)C(=O)[C@H](C)CCC(C)C	1937167864	KXRGBUXXNVLWEO-ZIAGYGMSSA-N	226.404	4.844	0	10	BJAE	
CC1(C[C@H](O)[C@H]2CCCC2(C)C)CCCCC1	1940405712	DHYLPZWFSVAAPL-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@H](C)CC(C)C	1940794113	AMQSFRBKHIGETB-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NCC)[C@H](C)[C@H](C)CC	1941268569	HLCKUUJPCGGWRV-KLHDSHLOSA-N	241.463	4.719	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1C[C@@H]2CCC[C@@H]21	1941712905	SVTULQBNAZFPCJ-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)C[C@H](C)CC(C)(C)C1	1942659519	RSTCYJLJMJNEQU-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C)CCC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944206222	WXYYSDLAVAVXKH-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)C1CCC2(CCC2)CC1	1944605120	BOPHSYNUVKZLQH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](CC)C1CCCC1	1947460281	KDOKNHRVKUOHKD-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCCC12CCC2	1947895549	GIHYLOCCPHXUNE-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)c1csc(-c2c(C)cccc2C)n1	1948274772	LYGSIUGXWOFGPF-SNVBAGLBSA-N	245.391	4.940	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H]3CC[C@H]2C3)c(C)cc1Cl	1948808552	CHKMFPWTDBSMIJ-SLEUVZQESA-N	249.785	4.557	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](NC2CC3(CC3)C2)CC1	1962812207	LPJVAGHBHXEXER-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](CNC[C@]2(C)C=CCCC2)C1	1966038549	VKGIZBXONVIFBP-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]2C1)C1CCC1	1970682259	ZTHQXMNNYPZUMQ-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc([C@H](C)NC[C@@H](CC)C(C)C)cc1	1973388185	WDZKWALBBNGQJO-GOEBONIOSA-N	247.426	4.582	0	10	BJAE	
CCCSc1ccccc1NC(CC)CC	1975970227	ZEHLFGYEHAURCA-UHFFFAOYSA-N	237.412	4.789	0	10	BJAE	
CC1(C)CCC[C@H](CCC(=O)C(C)(C)C)C1	1978381803	FWKJLYBLYOULRC-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCCC(C)(C)C	1988795248	RABWTYYDNYAJPV-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)CCC1CC1	1990099620	WXBUKXDQVZVXAA-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
C[C@H]1CC[C@@H](CCC(=O)CC2CCCCC2)C1	1996238396	QTULFNNOUQDEDT-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@@H]1CC[C@@H](C)C1	1996262707	GEMZICZJNHSGDD-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](NC)[C@H]1CCCC[C@@H]1CC	1996612117	WBXBBAXSDXWENG-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2CC(C)C2)CC1	1997116146	JGVBDSQLWIHUFS-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCC[C@@H](CCC)CC1	1997193485	BZZKSFHDPMWHCH-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCN[C@@H](C)CC1=CCCCC1	1998378911	ZESPWLRZMYPSMQ-AWEZNQCLSA-N	237.431	4.681	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H](C)CC1=CCCCC1	1998379899	JFZCNJDXGCGJAL-HUUCEWRRSA-N	237.431	4.680	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@H]1CC(C)C	1998742828	ONQHBGKLHGNREM-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CCCC1CCC1	2000195073	MJYTXLNQSQCUDL-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@@H](O)C1CCC2(CCCCC2)CC1	2000284132	XIVLREXICZRFMP-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CCC12CCC2)NC	2001845072	RWMYEINCGHMBHO-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H]1CC[C@H](C)CC1	2003103162	HJELMGPCOZJYFQ-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCC[C@@H](C)CC1	2004711795	NKUPPBUELDSEAJ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@H](N[C@@H](C)C1(C)CCC1)C1CCCCCC1	2004836913	ZMJKBHLMMDFHHQ-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNCC)CCCCC1(C)C	2005587761	ZGRHUMAQNTUGPZ-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CCCCC23CC3)s1	2005588908	IVSNMZIUCMAUBU-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@H](C)CC(C)(C)C)C1	2006608762	OSRDCTYDIDPIDS-FMKPAKJESA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CCCC(C)=C1C	2006927879	GXLHXUKUYMNTBS-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)CCC1CCCC1	2007621367	CFGONRRHGAEJMD-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1CC(C(C)C)C1	2007768736	FFRIJAYNWOJKDH-SLTAFYQDSA-N	238.415	4.844	0	10	BJAE	
C/C=C/CCC[C@H](O)C1(CC(C)C)CCCC1	2009592269	LYFGBTWANBQNGE-RGDDUWESSA-N	238.415	4.700	0	10	BJAE	
CCCCCC1CC(O)([C@H]2CCCC[C@H]2C)C1	2009714810	VREMEUJDCWMTEJ-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC([C@@H](NCCC)C(C)C)C1	2009804771	PAJWWCOLEUCDHD-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](O)C1=CC[C@@H](C(C)(C)C)CC1	2010719736	GKDPBKLIVYTJGY-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)C1=CCC(C)(C)CC1	2010763523	LMIUNBKVGMUASI-JSGCOSHPSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@](C)(O)CC1CC2(C1)CC(C)(C)C2	2011840694	SSXFNMVNRXNFDE-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1CC(=O)CC2(CCC2)C1	2012084362	NRHFLMYQCORICL-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H](C)C2CCCCC2)N1	2013520962	AASPWMMEKHSUJJ-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@H]2CCC2(C)C)c1C	2014895484	JPNOHPFRMKFUFX-ZIAGYGMSSA-N	231.383	4.540	0	10	BJAE	
CCCC1(C[C@@H](O)C2(CC)CCCC2)CCC1	2015633336	GSZMHHACUGMZHH-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCCC1(CC2(CNCC)CCCC2)CCC1	2015641142	AKAADFAWWRQBFU-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC1(C[C@@H]2CCCCC[C@H]2NC)CCC1	2015644304	LOYXCLRLLUTEOR-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC1(C(=O)CCC[C@H]2CC2(C)C)CC1	2015748432	CYTHMKXKDPOFIX-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)C[C@H](C)CC)CC1	2017728607	NLXOTQIYOKEBMV-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)C[C@H]1CC[C@H](C)CC1	2017729569	XWYVGBFFUMDLHR-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)C2(CC)CC2)CC1	2017776037	KEGVKEHODZLMRW-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CN(C)[C@H](CC)CCC(C)C)CC1	2018953634	AJDFGVGFUYDCGC-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@@H](C)C(C)(C)C	2018993047	YZDKPULHBHQNND-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCN(C[C@@H]1CCC[C@@H](C)C1)[C@@H](C)CC	2019160227	AZLJUMUGJUYROO-OWCLPIDISA-N	239.447	4.713	0	10	BJAE	
CCC1CCC(CN(C)CC[C@H](C)CC)CC1	2019465864	WUJXGPIPMBPRCQ-QQFBHYJXSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@H]1CC(C)(C)CC	2024512166	BOADXNAVPYSVQD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
c1sc([C@H]2CCCC23CCC3)nc1C1CCC1	2026545999	DYJDGAXVJOIXTD-GFCCVEGCSA-N	247.407	4.848	0	10	BJAE	
NC(CCCCCC1CC1)(C1CCC1)C1CCC1	2028645405	RFWPHQIIDQTSNI-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
O=C(CC1CCC=CCC1)C12CCC(CC1)CC2	2028873637	DBKWOWSUFWVXFA-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)C(C)(C)C(C)C)cc1	2032347657	ZGAIHQLEHZXLLP-CZUORRHYSA-N	247.426	4.882	0	10	BJAE	
CCc1cccc2ccn(C[C@H]3CCC[C@H]3C)c12	2032484609	SKFAKKGDBZFEJW-CZUORRHYSA-N	241.378	4.640	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNc1ccc(C(C)(C)C)cc1	2032515152	QKQQXLFENSWAMX-UONOGXRCSA-N	245.410	4.832	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1CC[C@H]2CC[C@H]1C2	2035054652	YJDXTPFCUPEXFH-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@H]1C=CCCC1	2035598708	KNKVOLJPMOHAGG-WMLDXEAASA-N	243.394	4.556	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@H]1C=CCCC1	2035603829	WZPHSWFMSHKDGU-RDJZCZTQSA-N	247.426	4.601	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CC12CCCC2)C1CCCCC1	2036105418	LBIXNPAKVRMFBD-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
C1CCCC(CNC[C@H]2CC23CCCC3)CCC1	2036132895	BSISHPPMDRPSBX-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCCc1cccc([C@](C)(O)[C@H](C)CC(C)C)c1	2036375532	PYNCNOABHWDIGL-RHSMWYFYSA-N	248.410	4.529	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)CCC1=CCCCC1	2037171257	DPBKHJPFRQEZKL-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2CCC=CCC2)CC1	2037207862	IUSRDHNTSGUPDU-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CC[C@H](C)c1ccccc1)C(C)(C)C	2038076716	ZIHMZMBBBDCTPL-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CC2CC3(CCC3)C2)C1	2038090363	QWXYULHTBLPHLD-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NC1CC2(CCC(C)(C)CC2)C1)C1CC1	2038939813	FZRVRZFHLYDAJD-OAHLLOKOSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H]1C=CCCCC1	2039032535	NXKXASUUEZOMPJ-VQHPVUNQSA-N	249.442	4.536	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H](N)C2CC3(CCCCC3)C2)C1	2040174035	YFLNDTKIRXSETR-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@@H]1CCCCC1(C)C	2043193060	FUFWXEQFNIOAQT-GDBMZVCRSA-N	249.442	4.824	0	10	BJAE	
CC1CC([C@@H](C)Nc2cccc(C3CCC3)c2)C1	2043546887	LLDOEJULZWKCAF-MFOWVQHXSA-N	243.394	4.801	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@H]1CCC=CCCC1	2045314267	IJTMJVWJSHZVGR-BBWFWOEESA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@@H]1CCC=CCCC1	2045323930	QKXWGNSHCPMKMN-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@H]1CC12CCCC2	2047006903	DYVDUAYYGPQDGZ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@H]1CC12CCCCC2	2047011519	XVUKRAXWIFSMLS-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC12CCCCC2)C1(C)CC1	2047595865	MJAGWFRFWPTEBO-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1[C@H]2CCCC[C@H]21	2048374436	VWTOQVGOGDJULR-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(CC1[C@H]2CCCCC[C@H]12)C1CCCC1	2048445516	BEADXRFKMVLYNM-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048445623	STRBRDCXUHMPDK-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(NC[C@@H]2C[C@@H]3CCC[C@@H]32)CCC1	2049676572	VERLSRQBMRSVNW-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C[C@H]1CCC2(CC2)C1)CC1(C)CCCC1	2049848251	IBIFZYRZENUUNQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2049850650	ZJDGYMXUWIMANU-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](Nc1ccc2ccccc2c1)C(C)(F)F	2051873546	NPMUQZSYRDWSAN-CQSZACIVSA-N	249.304	4.686	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@H](C)C1CCCC1	2056874054	SSPYWDIAEIGVGK-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C1(C)CC(C)C1	2056876269	OVZLPNBOWLMHIJ-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@@H]1CCCC2(CC2)C1	2059173421	RFWBPPHUOTXZOZ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CCCC2(CC2)C1	2059224551	BXWJJXHAJLZFAW-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCCCC23CC3)C1	2059393553	HORVTTIIDBWTGJ-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC1CC(=C2CCC2)C1	2061253116	USQGYRRQTBFWEI-CXAGYDPISA-N	247.426	4.578	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CN[C@H]1CCCCCC12CC2	2062016318	FXOFUERTGVEAQT-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@@H](N)CC2CC3(C2)CC(C)(C)C3)CCC1	2063204418	PHELKVMXZDZQKD-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](CC2CC3(C2)CC(C)(C)C3)C(=O)C1	2063209253	SUQNHXAIODTQFN-TZMCWYRMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](NCC12CCC(CC1)CC2)C1CCCCC1	2065263508	ZXQARZQKUMEXGA-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@](N)(CC12CCC(CC1)C2)C1CC1	2065339876	PZPRTEFLXCGYMJ-BDVYOWHSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(C2CC2)cn1	2066076766	XQEBKWFOGYPWAB-OAHLLOKOSA-N	246.398	4.586	0	10	BJAE	
Cc1c(C(=O)C2(C)CCCC2)oc2ccccc12	2067497704	DABCKUPBBGXHAA-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CC(C)(C)CC1CC(N)(CC[C@@]23CCC[C@@H]2C3)C1	2067983769	XYONRVVQUHBIDV-OGOZQZCJSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCC12CCC(CC1)C2	2070409984	WCWGNZZHTSJXBM-KLAILNCOSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1CC12CCCCC2	2070413863	OQFAZXHRXUQWJC-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](NC[C@H]1CCCC(C)(C)CC1)C1CC=CC1	2070809071	WRYPYTGIRMVDDI-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
C=CC=CCCN1CCC[C@H]1C1CCCCCC1	2071968774	KHNBYXPHRDGBQJ-KRWDZBQOSA-N	247.426	4.554	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2072682872	YPVQKPHSBCFIFB-JHJNDJDLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@@H]3CC[C@H]32)CC1	2072806979	QQBZQDDIHXUHII-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC(=O)c2ccc3ccccc3c2)CC1	2074574123	PQPZRDQKIRPXDP-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
C1=C[C@@H](N2CC[C@@H]2C2CCCCC2)CCCCC1	2074801802	IYZVHBXLTBSGHI-IAGOWNOFSA-N	247.426	4.530	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)[C@]12CCCC[C@@H]1CCC2	2079627658	LSZNJYBETCIFFB-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H]1C[C@@H](C)c2ccccc2N1	2079669075	FAJDZJNJTPUFJJ-TUVASFSCSA-N	243.394	4.801	0	10	BJAE	
CC(=C[C@@H]1C[C@@H]1C1CCCCCC1)[C@@H](N)C(C)C	2079700708	KTZGTYJHUXQPSV-ZACQAIPSSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)CC1CC2(CCC2)C1	2079842552	ONKRRBFZCSKRMP-DZGCQCFKSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCCC)C1=C[C@H]2CC[C@H]1C2	2081677089	IGKDGGDCZUSAFR-WBTNSWJXSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H]2CCCNC23CCCC3)C1	2083813899	JBEWBWZJLCTISB-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]2CC[C@H](C1)N2[C@@H]1CCC[C@@H](CC)C1	2084510390	IJGRXFPFRCYXQD-HHARLNAUSA-N	249.442	4.608	0	10	BJAE	
CCc1ccc(C/C=C/c2ccccc2)s1	2210663192	YTAGQTVLMGTRRA-RMKNXTFCSA-N	228.360	4.566	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC[C@H]1C[C@@H]1CC	2215248608	ICKFEQWPIAKLAM-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1C[C@H]1CCOc1cccc2sccc12	2215345875	MQEOWFUMLZVTCX-NWDGAFQWSA-N	246.375	4.716	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCCC(C)(F)F)CC1	2215824612	VHPAANKGOAAUAT-ZDUSSCGKSA-N	244.325	4.518	0	10	BJAE	
CCC1CCC(C[C@H](C)CN[C@H](C)CC)CC1	2217147736	MDAFDGZWKKACPR-QRNKSROTSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC2(CCCN2CC2(C)CCC2)CC1	2218034148	YRBKFWAEZUXZOG-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
Cc1cn(C[C@H]2C[C@H]3CCC[C@H](C3)C2)c(C)c1C	2218327467	JXEHBGWBIZCWFD-BJWYYQGGSA-N	245.410	4.630	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)[C@]1(C)C=CCC1	2220028924	XGJVPJWWENAUHV-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C1CC2(CC2)C1	2220030713	OKBHSZXKVRINAU-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2220961870	OTIRYHHFJMMBJP-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1	2221660178	IXABMTVSMZUHIL-LUKYLMHMSA-N	249.442	4.536	0	10	BJAE	
NCC[C@H]1CCC(=CCCCCCCC2CC2)C1	2223108437	DMAZPJBBARZGNZ-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
C[C@@H]1CC=CC[C@]1(N)CCCCCCCC1CC1	2223130460	MXUQCCXEFAHYCE-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
C(CCCNC[C@@H]1CC12CCC2)CCCC1CC1	2223174566	WLHHNGVTJXVZEO-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)CCCC(C)(F)F	2247159854	PWPSLABIJGITIE-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C[C@H]1CCCC12CC2	2247664995	LJOVOMJVLRTMPZ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
Cc1sc(C)c(C(=O)[C@]2(C)C=CCCC2)c1C	2248282131	BBXXDWWJVSGDCA-OAHLLOKOSA-N	248.391	4.602	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1CCC2(CC1)CC2	2250352187	JXDMITYJYYFOFB-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC1(C)C)[C@H](CC)CCC	2250353532	VQIAWTKNMNHHDH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](CC)CCC)cc1	2250359887	FYRPFAVLWWVGAJ-CQSZACIVSA-N	232.367	4.648	0	10	BJAE	
CCN(CC[C@H](C)CCCC(C)C)C(C)(C)C	2250475497	LCWBWXCGHJNELI-OAHLLOKOSA-N	241.463	4.959	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCC(N)CC1	2250478051	DWSLMMPXGNMUNB-LBAUFKAWSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CCC1CC(C)C1	2251754616	ZDGKYRCFOVCVKY-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)c1ccc(O[C@H](C)C(F)(F)F)cc1	2253062154	WYYIYULCESOSDN-NXEZZACHSA-N	246.272	4.530	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)C1)c1ccccc1	2253778257	QDAJXSWFLIWJEM-ARWYELJZSA-N	245.410	4.554	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CC[C@H]2CCCC[C@H]2N1	2254605500	MYPXATFWOUFIPA-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@@H]1CCC12CCC2	2254968348	KDJSKBQPNSBAEA-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
O[C@]1(CC2=CCCCC2)CC[C@@H]2CCCC[C@H]2C1	2255057494	JZUFXPRHMVXPMW-ULQDDVLXSA-N	248.410	4.598	0	10	BJAE	
CC(C)NCC1(CC[C@H]2CCCC23CC3)CCC1	2255255368	FDQDREYBMSWKLE-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC=C(C)[C@H](NCCC)c1ccc(CCC)cc1	2256292881	BFOHAJRLEPKWBO-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCCC(=O)c1ccccc1	2257313364	VQQKTGPYEGGTQN-GDBMZVCRSA-N	244.378	4.866	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@]23CCCC[C@H]2CC3)C1	2260536153	DGTZXRCDCMNFTR-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1OC[C@@]12CCCC[C@@H]1CC2	2260577481	FVZUFYZSXMIYTC-WBVHZDCISA-N	244.378	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H]1CCNc2ccc(F)cc21	2261347669	HRULHBWIVPMYRJ-KWCYVHTRSA-N	247.357	4.551	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@H](C)Nc1cc(C2CC2)ccc1Cl	2300695966	YFZSINYZFPLJPW-BREBYQMCSA-N	249.785	4.674	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCC[C@H](CC)CC1	2300701913	UZEJXXKLTYSYDF-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@H]1CCC[C@H]1CNC(C)C	2300702845	ZNOVEXXOPOPFRC-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC(C)NC[C@H]([C@H](C)[C@H](C)C(C)C)C(C)(C)C	2301830172	VPGLYHRWORJXNN-RBSFLKMASA-N	241.463	4.575	0	10	BJAE	
CCC1(CC)CC(N(C)[C@H](C)[C@@H](C)C(C)C)C1	2301978416	OHKQCGZQXAKDBS-UONOGXRCSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@H]1CC(C)(C)[C@@H]1C	2302149619	BOKSRKPMEIWIML-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)CC1(C)CCC1	2302571706	MXHJDMSHAXRWST-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@H](O)CCC[C@H]2C[C@H]2C)CCC1	2302613102	MSBOXHDAGAGCKO-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](O)CCCC(C)C)CC1	2303527948	WTUZKLFBFVAVLK-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@@H]1CCC(C)=C(C)C1	2303579633	PAZYMZCGJPELSB-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2304436590	MQIFPIIGGYPMKY-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@H]1C=CCCC1	2307909711	LERRDAUZEIMXDN-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C12CCCC1CCC2	2307910601	OPXHKPVQFACEMS-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@@H]2CC[C@@H]3C[C@H]23)cc1	2310923227	IMLHDYXOFZAIQH-UTXMOHQDSA-N	244.378	4.625	0	10	BJAE	
N[C@@H](CCC1CC1)C[C@@H]1C[C@H]1C1CCCCCC1	2311567989	MLCJHJUUDFLEFM-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)C[C@@H]3CCCC[C@@H]32)C1	2311892565	KUMBQFCAZVUQHY-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312944761	RJSKQUBRZXAQEV-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@@H](NC)[C@@]23CCCC[C@@H]2CC3)CCC1	2313289537	IKBTWEBHQSUHQU-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)c1ccc(C)cc1	2316510898	XMCHYEIBYATWBZ-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CC(=CCC1=C[C@H](N)CCCC1)CCCC(C)C	2316517396	TXXINUKATMXREA-QGZVFWFLSA-N	249.442	4.977	0	10	BJAE	
N[C@@H]1C[C@@H](CC2CCCCCC2)CC2(CCC2)C1	2316877543	GGKAIGYLQKORGK-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCCC1CC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316886914	ZBHATKUFLWIENI-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(CC2CCCCCC2)CC=CC[C@H]1C	2316936701	FXUIDBICVRDTGQ-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CC)c1ccc(C[C@@H](C)CC)cc1	2317098501	BRZKFBSCNZIXPH-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CC(C)[C@H](N[C@@H](C)[C@@H](C)C(C)C)c1ccccc1	2317662806	FCMUCDXPROWPLZ-ZOBUZTSGSA-N	247.426	4.654	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@@H](C)C1CCC1	2317978074	YUKSZIFXNYLTOP-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C1=C(CCCN[C@H]2CCCC23CCC3)CCCC1	2318521188	FVKUEBGXAOXHMN-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN(C)CCCC1=CCCCC1	2318578900	CQPMNRQCGXVWAP-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2318873161	AVHMCJNBAXLBHQ-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCC1CC1)CC1CC(C2CCC2)C1	2318875939	INXFQZBTIULLAZ-PREGVCBESA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@H]1C)C1=CCCCCCC1	2318929653	JECKNJDPFSBRHI-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)CC1CCC2(CC1)CC2	2318932619	WWNUUFAAFMEGSJ-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CC[C@@H]1C1CC1	2319503179	WMHXKMYTCPALCR-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CC1([C@H](N)CC[C@@H]2CC[C@H]2C2CC2)CCCCC1	2319691078	XGGNLYURFSWQAB-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1[C@H](N)CC1CCC=CCC1	2320217644	OFMWZKJNEHNSTI-BZUAXINKSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H]2C[C@H](C)CC(C)(C)C2)CC1	2320238346	UDEMKHCAKSAAMZ-VBNZEHGJSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC[C@H](O)c1ccccc1	2320244765	VBFMPXBKRXVBNZ-BPUTZDHNSA-N	246.394	4.573	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)[C@@H]2CCC(C)(C)C2)CC1	2320394413	PIXUWKHJCPJHNM-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2ccc(C)cc2C)CC1	2320420810	RPJOXQHLTKSDQB-INIZCTEOSA-N	243.394	4.852	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1C[C@H]1CC)c1ccccc1	2320451795	IZACRDKKWYYJDS-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(CN)CCC23CCC3)C1	2321603799	VWZMSTUFILRYCG-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC[C@H](CCC2(CN)CC3(CCC3)C2)C1	2321615379	DUPZWKYRQSYHGR-CQSZACIVSA-N	249.442	4.502	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1cccc(C(C)C)c1F	2327764120	ANTGWPJAUAXIDQ-STQMWFEESA-N	249.373	4.797	0	10	BJAE	
CCCCCc1ccc(N[C@H](C)C(C)C)cc1	21019425	DWAHINSTMWJMRI-CQSZACIVSA-N	233.399	4.876	0	10	BJAE	
CCCCCN[C@@H](CC)c1cccc(Cl)c1	21045669	QXMBRVNLTQPAQY-AWEZNQCLSA-N	239.790	4.571	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccc(F)cc2)c(C)c1	21818864	GNPGKIULLSZTQA-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](CC)CC1CC1	69671295	CCXSCGSVAJYWRY-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@H](NCC)c1cccc2ccccc12	70941519	WPCOACGNRRMJCZ-QGZVFWFLSA-N	241.378	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccc2c(c1)CCC2	70977569	WSUHSIWVBHYCHH-GUYCJALGSA-N	243.394	4.556	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)C1CCCC1	71104169	CFJXDOTYEBDZEH-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](C)N[C@@H](CC)C1CCCCC1	71106468	CWHLIAQEHYQLPL-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CCCCCN[C@@H]1CCC[C@H](CCC)CC1	83437208	NQQDDIOEEUREAW-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCC[C@H](NCC)C1	83824956	RNJDIUWBAJTKPL-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)N[C@@H]1CCC[C@H](C(C)(C)C)CC1	86954090	UPPPNYHLTYLVSQ-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
C=C=C(c1ccccc1)c1ccccc1Cl	106488979	XOQKJQASAJEWEG-UHFFFAOYSA-N	226.706	4.557	0	10	BJAE	
CC/C=C\C[C@@H](C)c1ccc(C)cc1C	107530618	LNAWFJVVILLXDZ-FMFIFOJESA-N	202.341	4.763	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)C1=CCCCC1	110228789	QPGFTVCSVQWYDJ-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(C)c([C@H](C)N[C@H](C)C(C)(C)C)c(C)c1	122607506	UXLLFXBLZXGBPU-LSDHHAIUSA-N	247.426	4.697	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1ccc(C)cc1C	124532890	NGCORYLUOFEUIG-DOTOQJQBSA-N	247.426	4.910	0	10	BJAE	
CCCCCC[C@H](C)[C@H](NCC)c1ccccc1	128548462	ZGOQDUMVMPQNOR-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1ccc(F)cc1C	132601867	DKSYBBLLPVQVDS-SWLSCSKDSA-N	248.341	4.533	0	10	BJAE	
Cc1ccc([C@H](C)NCCCCC(C)C)s1	147352273	WEDWTNHJLDNMCB-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCc1ccccc1	148291577	BXDYPFZPBRBYLA-UAGQMJEPSA-N	246.394	4.664	0	10	BJAE	
Cc1cccc([C@H](N)C[C@@H](C)CC(C)(C)C)c1C	163448416	DLAILUCREAJGNK-MLGOLLRUSA-N	247.426	4.766	0	10	BJAE	
CCCc1ccc([C@@H](C[C@H](C)CC)NCC)cc1	167268808	ANSFULQYTUZUBO-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](O)(CC2CCCCC2)C1	203677505	SLVOYCHHDCGWIH-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](O)CCC[C@@H](C)C1CCCCC1	205394505	DKZZZCWJFHQCOP-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CCC)[C@H](c1ccccc1)C(C)C	212662803	TXXIJDRKJVGHRT-SJORKVTESA-N	247.426	4.595	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC[C@@H](CC)C1)C(C)C	227179521	AJOOZVWKEBJVAU-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C=C(C)C)CC1CCCCCC1	229741796	KPLVJBVRTDVBEQ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCCN[C@@H]1CCC[C@@H](C(C)C)C1	230996453	CTGWAJPHIUZAEI-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc2c(C3CCCCCC3)c[nH]c12	235921224	DIRYPDZNEWZNOF-UHFFFAOYSA-N	227.351	4.914	0	10	BJAE	
CCCC[C@H](NC)[C@H](c1ccccc1)[C@H](C)CC	252895433	AIFPLIRRFJMCDY-PVAVHDDUSA-N	247.426	4.595	0	10	BJAE	
CNc1cccc(Sc2ccc(Cl)cc2)c1	259328217	WUWRIOUXFPFESO-UHFFFAOYSA-N	249.766	4.533	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCCC(C)(C)C)NC	300979812	UCWAOPBUNFLXEU-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCc1ccc([C@H](CCCC(C)(C)C)NC)cc1	302264407	FUQCEQGWVGDEGT-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)[C@@H]1CCCC1(C)C	302351505	WOQSWWIGXPHIQZ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H]([C@H]2/C=C/CCCCC2)C1	302403793	KEUDYEAISOGOLA-ZIYFCQCXSA-N	248.410	4.764	0	10	BJAE	
CC(C)CC[C@H](N[C@H](C)CCC(C)C)C1CC1	306037754	MOZLNVWEMLGRST-ZBFHGGJFSA-N	239.447	4.616	0	10	BJAE	
CSc1cc2cc(S)sc2cc1Cl	306611131	LPKUVIYQKMTNIJ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1c(SC)sc2c(Cl)cccc12	307294227	NGIARBSVSXARCC-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@H](CC(C)C)c1nc2c(C)cc(C)cc2[nH]1	308053203	IENAKDOQJHKSSS-CYBMUJFWSA-N	244.382	4.719	0	10	BJAE	
ClB([C@H]1C[C@H]2CC[C@H]1C2)[C@H]1C[C@H]2CC[C@H]1C2	309351766	FIZRDRGODZJEDW-LHEWDLALSA-N	236.595	4.597	0	10	BJAE	
CCCCC[C@@H](C)NCC1CCCCCCC1	309995669	UJIWRIMXBXEBRF-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
Cc1cccc(C)c1NC[C@H]1CCC[C@@H](C)C1	310215791	FUTYVLPQQWYLMY-DOMZBBRYSA-N	231.383	4.542	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)Cc1ccccc1	310476799	CJXAVSDMNXDRQA-WBVHZDCISA-N	247.426	4.553	0	10	BJAE	
CCN[C@H](CC1CCC(C)CC1)C(CC)CC	310516968	LDFXOWNUQKVOEK-ZBCRRDGASA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@]1(CCCC(C)(C)C)CCC[C@@H]1C	317270967	BUEVREOYCFCXMS-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@](C)(CC)C/C=C/c1ccccc1	317793580	VIMNUURHRHQVJJ-XLNAKTSKSA-N	245.410	4.506	0	10	BJAE	
CC[C@H](Nc1cccc2ccccc12)C1CCC1	322463685	MJYHHLXFHQLIBC-INIZCTEOSA-N	239.362	4.830	0	10	BJAE	
Cc1cc(-c2cccc(F)c2F)ccc1Cl	380485794	YVUZSILEGODDQN-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@H](C)c2ccccc2)C1	384781332	QCXPTVWJXUNBOA-LZWOXQAQSA-N	244.378	4.576	0	10	BJAE	
Cc1cc(F)cc(C(=O)C[C@@H]2CCC[C@@H](C)C2)c1	385199751	SFYQHDBPIIHBRM-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
Cc1ccc2c(ccn2C/C=C\c2ccccc2)c1	387626274	QQYGIFHLPKZLAH-YVMONPNESA-N	247.341	4.663	0	10	BJAE	
CCCC[C@@H](CC1(CC)CCC1)NCCC	390162887	CQLGJDIABITHQL-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C(C(C)C)C(C)C	390396655	PTBNWIBADKXRRL-ZDUSSCGKSA-N	226.404	4.556	0	10	BJAE	
Clc1cccc(-c2cccc3occc23)c1	390661739	SLJORSSJECRIAA-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
CCC(C)(C)CN[C@H](c1ccccc1)C(C)(C)C	394643536	HBWCDSGJJZNMIV-OAHLLOKOSA-N	247.426	4.800	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C1CCCCCC1	395134836	HZNNWOFOQIGLCS-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCc1csc2c(F)c(C(F)F)ccc12	396217036	PSAIFNWOALCNFT-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1sc2cc(C(F)F)ccc2c1F	396225560	XAQOYZIEBHTRRJ-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCC[C@H](Nc1cscc1C)[C@@H]1CC1(C)C	397648974	AKVLZFXPNIOIHE-RYUDHWBXSA-N	237.412	4.683	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@H]1CC=CCC1	402114547	CFRCGGMOFGIJJL-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC(C)CNCC1(C[C@@H]2CC=CCC2)CCCC1	402153421	OVHYAEWCWPBGSY-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNCCC(C)(C)CC	686310781	NBWMPCMTSKRKRL-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(CC)c(NCC(CC)CC)c1	689597366	RAJSOXXBQSNVMV-UHFFFAOYSA-N	233.399	4.660	0	10	BJAE	
C1=CC[C@@H](CNc2ccc(C3CCC3)cc2)CC1	690158468	HGNBYXJISMCUJD-CQSZACIVSA-N	241.378	4.722	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)C1CC(C)C1	691889736	UKXJBPCEDNPNGV-IMRCBTMISA-N	245.410	4.507	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)[C@@H](C)C1CCC1	692669841	HVRZPIWJMWJJSE-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CC[C@H](NC1CCC2(CC1)CC2)c1ccsc1	695678872	IGPYCXLATHJZAY-AWEZNQCLSA-N	249.423	4.512	0	10	BJAE	
C1CCC(CCN[C@@H]2CCCC[C@H]2C2CC2)CC1	696111655	QTEHTMWRUMHBJF-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCC)C(C)(C)CC	701172821	WQMLBWXESXUNTC-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@H](C[C@H](CC)CC(F)F)NCC	701539398	UIYCQZSXINBXBG-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@@H]1CCCC[C@@H]1C	704852164	RQDHEFFYVIBSAO-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@](C)(N)c1cccc2ccsc12	704888373	GFHBPEWSVKTTII-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCC12CC2)c1cccs1	706543705	JDELFJYVFOPCBT-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCCC12CC2)CC(C)(C)C	709126598	JRCJQKGBWCERTA-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(O)CCC1CCCC1	713034344	XRNRQYGGHHPGJL-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CC(C)(C)CC[C@H]1C	713045386	RYDLVGLAOPXAEL-LJISPDSOSA-N	239.447	4.616	0	10	BJAE	
CCNC[C@@H](CC(C)(C)C)C1CCCCCC1	713176099	UYOWJUVFTDAVLK-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@]1(CC(C)(C)CC)CC[C@@H](C)C1	713338907	JBUBFXUXQHVMIJ-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C\CCc1cc(C)cc(C(C)(C)C)c1O	713687099	TXRYIJRUORGOEG-FPLPWBNLSA-N	244.378	4.673	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@]1(C)C[C@H]1C	714614263	QSJCQTDAMQHZJN-DYVFJYSZSA-N	245.410	4.578	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](N)CCC(C)=C(C)C	718622804	DRWODFRDXGGABU-SJORKVTESA-N	245.410	4.644	0	10	BJAE	
CCC[C@@](O)(CCC(C)=C(C)C)[C@H]1CC1(C)C	718703965	ZRZLFELBJMIWRC-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C(=O)CCC(C)=C(C)C)c1ccccc1	718741151	XBCSPHWSXVUKPR-INIZCTEOSA-N	244.378	4.886	0	10	BJAE	
CCc1c(C(C)(C)C)[nH]c2c(CC)cccc12	822185532	LVKQJAFZHJUYEF-UHFFFAOYSA-N	229.367	4.590	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@]1(C)CCCC[C@H]1C	1462315501	VBPWHTFZBCGIHL-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CCC1CCCC1	1900596961	OSODJQXFUMQCTI-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)CNc1cc(C2CC2)ccc1Cl	1900688839	MLRGIJCXWDIEAE-UHFFFAOYSA-N	237.774	4.675	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1scc(C)c1C	1900700253	HUHFWFNTKLDNDI-CYBMUJFWSA-N	239.428	4.581	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCC[C@@H]2C[C@H]2C)CC1	1908553379	ZUXIDXLZYJSGFB-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(NCCC=Cc2ccccc2)cs1	1912024768	RKLZSMWDXHGRFY-UHFFFAOYSA-N	243.375	4.572	0	10	BJAE	
O=C(CCC=Cc1ccccc1)CC1CCCC1	1912048190	RNIPTXYUYWPWJC-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@]1(N)CCC2(CCCCC2)C1	1915923396	KMKATIGWWKCTRE-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCC3(CCCC3)C2)C1	1916442900	RZFUDFAZYAMLRK-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](C1CC(CCC)C1)C(C)(C)CC	1921319884	KNPDEQYNUPSPPL-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C1CCCCC1)C(C)(C)C	1924148521	LZKMTNWEUPWSNC-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cc(C)ccc1Cl	1925509618	YUCMTGUFEBNYRQ-HZMBPMFUSA-N	240.774	4.508	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@@H]2C=CCCCC2)C1	1925762683	FOJUKIZWYVJOPK-OAGGEKHMSA-N	248.410	4.764	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCCC1)C(C)(C)CC	1925897612	ITINZMBQTHNSAJ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H]1C=CCCCC1	1925930664	SEXXQNASDSMVKW-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CCCc1ccc([C@H](CC(CC)CC)NC)cc1	1926390780	VCGPBMIDIVUURZ-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](C)CC(C)(C)CC1(C)CCCCC1	1940405465	BVGMTAMCMHPMHC-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CCC1CCCCC1)C1CCC(N)CC1	1940975280	BVUNJEIBLDPGRQ-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCCCC1CC1)CCC1(C)CC1	1941590471	BRNWWVIQMQSFBU-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1cccc(NCC(C)(C)C(F)F)c1	1941607071	PJYCHBDBHKYJIE-UHFFFAOYSA-N	241.325	4.513	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CCCC1CCC1	1941689386	GIXZWHMXBHDQLK-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC(C)([C@H](O)CCC2CCCCC2)C1	1941979335	CPZZFYOJSKVJAO-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@@H](C)CCC(C)C	1942664270	SAAPNTGRRUOZJO-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)C(=O)CC1C[C@@H](C)C[C@H](C)C1	1944198187	FFBAKOFNEXGEJN-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CC(=O)C[C@H](C)C1CC1)C1CCCCC1	1944594580	VBAIPNAQHWMUNH-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)C1(O)CCC2(CCC2)CC1	1944606270	MDYSDAGNCKUJLA-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CC1(C)C)C1CCCCC1	1944743328	CMVSHLYKLAAQGG-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1Cn1ccc2cccc(Cl)c21	1944797674	RCYDRIIATDTWAX-YPMHNXCESA-N	247.769	4.731	0	10	BJAE	
CCCC[C@](CC)(CNCCC)[C@@H]1CC1(C)C	1945822696	HLQCAEKUGCJGKU-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CC12CCCC2	1948072800	YDVIKWNPLGSWOY-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC1(C)CC(CCC(C)C)(CNC(C)C)C1	1948413935	UDQKEWPKOLZKBN-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)C[C@H]1CCCC[C@@H]1CC	1948864664	PLAKMOCXULUHCE-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CC1(CC)CCC1	1948981289	PDRBJTFBADSYSO-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC1CCC=CCC1	1949080984	BXVVALJLJSQEFW-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@H](n2ccc3ccc(F)cc32)C1	1949493845	QOKYKTOAKPADTB-ZDUSSCGKSA-N	231.314	4.532	0	10	BJAE	
CC[C@H](N[C@H](CC)CC1CC1)C1CCCCC1	1950099677	HPQUSCGRBJFTSW-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@]1(C(=O)O)CCC[C@@H](C)CC1	1950911939	SQRJHSUDEYGYRU-UKRRQHHQSA-N	240.387	4.628	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1NC[C@H]1C=CCCC1	1966151386	LPQFSBOVYMWQCM-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2CCC(C)(C)C2)c1	1968230979	YXQICAFGRMAJQC-CQSZACIVSA-N	231.383	4.542	0	10	BJAE	
Clc1ccccc1NC[C@H]1CCCC2(CC2)C1	1968255653	AFOLPLGSSDBKRH-LBPRGKRZSA-N	249.785	4.722	0	10	BJAE	
Cc1cc(C)cc(OCC[C@H]2CCC[C@H](C)C2)c1	1968307135	DWDHSNTWSZOAHU-XJKSGUPXSA-N	246.394	4.899	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(SC)cc1	1968457187	WFUWFASMPVYTLB-LLVKDONJSA-N	237.412	4.645	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1N[C@H]1CCCC2(CCC2)C1	1970484925	AIMSYNBDAOKPON-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](NCC(C)(C)C1CCCCC1)c1ccoc1	1970825316	WEHGYQBNRZYLHE-CYBMUJFWSA-N	249.398	4.537	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)CC(C)(C)C	1986940722	ZLYZSCUCHCULAP-ZIAGYGMSSA-N	227.436	4.616	0	10	BJAE	
CCCC1CCC(CCC[C@H](O)CC)CC1	1989808923	YYUACBPEJKHOPD-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](CC)NCCC1CCCC1	1990092563	AZMNITZLHBEKBF-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
Cc1cc(N)ccc1-c1cc2sccc2s1	1994738350	KETWNFFNSQHPJL-UHFFFAOYSA-N	245.372	4.520	0	10	BJAE	
CCCC[C@@H](N)c1ccc(-c2ccccc2)s1	1995679188	VBKOBPFJDCLEKZ-CYBMUJFWSA-N	245.391	4.605	0	10	BJAE	
Cc1cc([C@@H](N)C2=CCC(C)(C)CC2)sc1C	1995703366	ZYTZOQRCXDTYPO-AWEZNQCLSA-N	249.423	4.501	0	10	BJAE	
C[C@H](CN(C)CCCC1CCC1)CC(C)(C)C	1995745559	ZJZMCSXBGJJBER-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(O)C2(C)CCCCC2)C1	1995992366	XOTJPQQDJCEHSM-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@H]1CC[C@H](C)C1)C(C)(C)C	1996264015	CHLJLQGKSACBLA-BYNSBNAKSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](N[C@@H](C)C(C)(C)CC)C1CCCCC1	1996588582	HFRIOWOCMBVSKK-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)CCC[C@@]1(N)CCCC2(CCC2)C1	1997039559	LXJLJJRIICCKJU-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCC[C@@H](CC)CC1	1997117235	PPBHLXGDFBTPMZ-RRFJBIMHSA-N	238.415	4.988	0	10	BJAE	
C[C@@H](C[C@@H](O)CCC1CCC1)C1CCCCC1	1998047966	RGUWATBYMZHOFC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC)CCC1CC(C(C)(C)C)C1	1998234925	OQAGPVHGKQEXNJ-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CN)[C@@H]1CCCC(C)(C)C1	2000483126	KAXXWRNGDJHHRS-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1[C@H]2CCCCC[C@H]21	2002201607	ASIBBBKMATVGMJ-FICVDOATSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC([C@@](C)(O)[C@H](C)C(C)C)CC1	2002926294	ZUZFDHINEDILOD-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC1CCC(C)(CC)CC1	2004340765	DFQGINBHWHLZPG-FXQLRMTLSA-N	239.447	4.760	0	10	BJAE	
CCN[C@H]([C@H](C)CC)C1(C)CCCCCCC1	2004924020	XDJRRPNDVMHMON-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H]1C[C@@H](C[C@@H](C)CC)C[C@@H](CC)C1	2006621444	AVNGZMYNRHXKLP-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@H]1CCCCCCCC[C@@H]1O	2006696895	PIDJWAYUXLQERT-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@H]1CCC[C@H]1C	2006760470	WQJRXDGBUKSREG-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCC1(CNCC(C)C)CCCC1	2009612609	XYZMMMLJOXSQOV-SNAWJCMRSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@@H](NC)C1=CC[C@H](CC)CC1	2010765571	QFJIWJYKSVPMII-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC=CCCCN[C@@H]1CCC[C@H](CC(C)C)C1	2011444660	VIWFHIHOYLGPOZ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CN[C@H]1C[C@H](CCC(C)=C(C)C)CC(C)(C)C1	2012055095	FXZJOIAFVHEIKK-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)C1(C)CCCC1	2014338726	JIGXMUVZJICYRJ-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CC1(C[C@@](C)(O)[C@H]2CCC2(C)C)CCCCC1	2014899350	OEJYMJOCFHMKAM-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)C[C@@H](C)C(C)C	2015277833	JTZNOLVPDNOBCH-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1cc(C)c(C)o1	2015323717	SXGWXVBKUUMSPQ-KBPBESRZSA-N	238.371	4.536	0	10	BJAE	
CC(C)C(CC(=O)C1(C)CC(C)(C)C1)C(C)C	2015375196	BAGSVQZOPCDTIY-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)CC(C(C)C)C(C)C	2015393696	GKLOOTWTBFOPTN-ZBFHGGJFSA-N	241.463	4.704	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CC1(C(C)C)CCC1	2017122067	WTIFTCHNRJANTI-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(C[C@@]2(O)CCC[C@H]2CC)CC1	2017649497	WMHAQMHQHNYDAF-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](CC)c1ccco1	2018075795	XAGKCHNKVMWYQV-ZIAGYGMSSA-N	237.387	4.679	0	10	BJAE	
CCCC[C@@H](CC)N(C)[C@@H]1CCCC(C)(C)C1	2018187772	IAOGHRMDTRFDKN-HUUCEWRRSA-N	239.447	4.856	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@]12CCCC[C@@H]1C2	2018620544	XMPPNKLYTPXHTC-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
CCC1(C[C@]2(O)CCC[C@H](C(C)C)CC2)CC1	2018967289	KALZJYRHBIIPKZ-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C1CCC1)N(C)CCCCCC(C)C	2019344448	NCBRDXJVDSWXQZ-MRXNPFEDSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](C)N[C@H]1C[C@@H]1C1CCCCCC1	2022438600	GQGDFILTEXPFOF-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CCCCC(C)(F)F	2023346477	SZPVMFQBADPQBM-CYBMUJFWSA-N	247.373	4.666	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CC[C@@H](C(C)C)C1	2025586267	BLEYVBQORWOAQE-FZKCQIBNSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@H]1CC=CCC1	2026165550	CIFKRTOMSBCDBO-XHSDSOJGSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)c1ccoc1C	2027820516	ICJADYOPPBASBY-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC[C@H](C(=O)CCCC1(C)CC1)c1ccccc1	2027855938	TWGRKCAHEYUZFK-HNNXBMFYSA-N	244.378	4.720	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)c1ccccc1C1CC1	2028561148	XJEXZXBJWQSOKF-HNNXBMFYSA-N	245.410	4.636	0	10	BJAE	
c1ccc2c(c1)C[C@@H](CCCCCC1CC1)CN2	2028632471	ZQJHVQVMVWKRNS-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H]1CC[C@H]2C[C@H]2CC1	2028965223	QSBSRGFVWWAPFS-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
C1=C(CCN[C@@]23CCCC[C@H]2CCC3)CCCC1	2031798265	KVGSJHYYSVWTDZ-DLBZAZTESA-N	247.426	4.579	0	10	BJAE	
C[C@H]1CCC[C@@H](NC2CC(C3CCCC3)C2)CC1	2033765570	XXHBTNYCNXLBSO-MHABSNSOSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H]1CCNC12CCCC2	2034112053	IQKVCHVQRCRTGB-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN(C1CCCCCC1)C1C[C@@H]2CCCC[C@H]2C1	2034131612	JNWXKARIDDURJN-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2034573088	ZXKGLGPADJIYGW-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)NCC1(CC2CCCC2)CC2(CC2)C1	2036198431	UWXAECUSYGIENC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)[C@@H](c1ccccc1)C(C)C	2037097167	HJXRBQWQWBCLLH-USXIJHARSA-N	247.426	4.580	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1ccc([C@@H]2C[C@@H]2C)o1	2037137314	PMWYZHSZWWURON-XQQFMLRXSA-N	249.398	4.619	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)C[C@@H]1C=CCCC1	2037306225	ZKJTXJLQEPWJIA-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1CC[C@H](C)C1	2037590871	HQYNLBSJCAOQIR-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1CC2(CCC2)C1)C1(C)CCC1	2038081033	NPEQPNOGNVBPEN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CNCCC2CC3(CCC3)C2)CC1	2038102388	DNSPKXHQZWGAQY-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2040168122	DTXAUTIBSFWJHC-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042349020	ZWPRIEMVGURJIR-JONQDZQNSA-N	249.442	4.536	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cc(C)c(C)cc1C	2045555253	FDNKIAZBWXRTTR-UHFFFAOYSA-N	244.378	4.931	0	10	BJAE	
CCc1ccc(N(C)C[C@H](C)CC(C)(C)C)cc1	2046568874	QJMMCCQCQFHLDD-CQSZACIVSA-N	247.426	4.758	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@H]2CC23CCCC3)C1	2047060174	VQRUXQHUCKQICC-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H]1CC[C@H](C)CC1	2049638469	PEKCOIJGXWFLFT-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CC3CCC2CC3)CCCC1	2049796640	YHPIIKOXQPVOEK-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCCC1CC(C(=O)C[C@H]2CCCC3(CC3)C2)C1	2049937960	LXTMZKFIHXDLFF-SHARSMKWSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@]2(C)C=CCCC2)CC1	2049997915	RMUDKNHMSKJPJP-DOTOQJQBSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CC)c1ccc(C)cc1	2050424562	CDVJBCHEQUBZND-PBHICJAKSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)c1cccc(C)c1	2050429381	YLIWPKQOEYANOH-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
Cc1ccc([C@H](N)CCCC2=CCCCC2)cc1	2050429975	JHTBBYKYBUAIQY-QGZVFWFLSA-N	243.394	4.666	0	10	BJAE	
Cc1ccc([C@@H](O)CCC2CCC=CCC2)cc1	2050441143	KNKGWWXUOSBGGW-KRWDZBQOSA-N	244.378	4.555	0	10	BJAE	
CC(C)CC[C@@]1(CNC2CC2)CCCCC12CC2	2053355804	JUTMTDWLEKJRNW-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@@H]1CCCCC12CCC2	2053411677	LGEVLRKUYIQHII-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)[C@@H]1CCC[C@H]1C	2055221020	HBRGIFGDDNRXME-UKRRQHHQSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C)c1cccc([C@@H](O)C=C2CCCC2)c1	2056862299	HKLIITMEQFTRJN-INIZCTEOSA-N	244.378	4.518	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@H]1CCCC2(CC2)C1	2059173422	RFWBPPHUOTXZOZ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCC[C@H](NCC)c1ccccc1C	2059247778	VEJXVTMPOULJED-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
Cc1ccc2ccn(CC[C@]34CCC[C@@H]3C4)c2c1	2061602981	QPZICNBJODPGFC-WBVHZDCISA-N	239.362	4.530	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CC2CC(=C3CCC3)C2)CC1	2061695701	GYUFQSUSMQQXHD-DOMZBBRYSA-N	246.394	4.662	0	10	BJAE	
CCCC[C@@H](CCC1CC(=C2CC2)C1)NCCC	2061739397	MZMONDHDHMOIGN-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1C)c1occc1C	2063671256	JILNEMFLYBZMJE-CQSZACIVSA-N	243.350	4.768	0	10	BJAE	
CC(C)CC(C)(C)CNc1cccc(C(C)C)n1	2066343892	GYTOPACTJFBZQE-UHFFFAOYSA-N	248.414	4.689	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](N[C@H]2CCCC23CCCC3)C1	2066630470	WAVOPHNEDLDQET-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)c1ccc(C(C)(C)C)cc1	2068845211	RYKJIPXHQSMRRU-CJNGLKHVSA-N	248.410	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC2(CC3CC3)CCC2)C1	2069496961	WOTCUMRYBUKRQJ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H](C)C2CC=CC2)CC1	2070814635	NMPYIBNOCVQAMD-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC[C@@H]1C1CCC1	2071788839	VLPFBXCRETWIMP-WBVHZDCISA-N	243.394	4.630	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@@H]2CCC3(CC3)C2)CCC1	2071915465	NSUQHYQESZDYNW-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@H]2CCCC3(CC3)C2)CC1	2072871416	ONTQQBOHFSUCNN-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@@]23CCCC[C@H]2C3)C1	2074031145	XGANCKAABUBWJV-TWMKSMIVSA-N	249.442	4.502	0	10	BJAE	
CCC1(CC(=O)c2cccc(C(C)(C)C)c2)CC1	2074593942	OFWHLEMUFANFIA-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCCCN(C[C@H]1CC=CCC1)c1ccccc1	2075169095	YMYPTCLDNUBVTO-INIZCTEOSA-N	243.394	4.649	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2C[C@H]2C2CCCC2)CC1	2079492772	STGCGMFVAJYGRV-UAOKOLBASA-N	248.410	4.598	0	10	BJAE	
CCCC1(NC[C@H]2C[C@H]2C2CCCCCC2)CC1	2079648671	BTZFEHJZQDTKHV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)C1(C2CC2)CCCC1	2079845255	XRSIRDORQYIUEU-TZMCWYRMSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1C[C@H](CC(C)(C)C)C1	2213118992	ODBJIALFFPHFDV-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
C[C@H]1CCCC[C@@]1(N)CCCCCCC1CC1	2213576785	UTSPIMGKYSVHDG-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
O[C@@H](CCCCCCC1CC1)CCCC1CC1	2213578746	PCSSHUUSFGMPHF-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1CCC[C@@](O)(CCCCCCC2CC2)C1	2213580200	KAZXNIVKFFJWGR-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CCCCC2CC2)C1	2214561760	ANLKUHBCAVTNPX-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CCCCC1CC1	2214566315	VKGCMACGKUHPCX-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CCCCC1CC1	2214572200	BCXFNXGZXWGHLA-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@@H]1CC[C@@H]1C)NC	2214971830	NLQMXQHTYYETQY-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC[C@H]1C[C@@H]1CC	2215245896	IIQFIGHBZWKDBE-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1CC)C(C)(C)C	2215246446	IXOJRENDXIZPQV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@H]1CC)CC(C)C	2215248873	LQHCMQQJOFPKJJ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CC[C@@H]1C[C@H]1C)CC1CCCCC1	2215294811	SDJSWQWACYGOAK-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H](CN[C@H](C)CC)C(C)(C)C	2217124650	JGFIQMMBZBIPDP-ZNMIVQPWSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CC(C)C)CCCC1(C)C	2217131165	RGQKUHFUEAYACF-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1(CC(C)(C)C)CCCCC1	2217131374	WPKUIVIFKHXMQI-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@]1(CN[C@@H](C)CC)CCCC12CC2	2217156852	OHCYXSGYYRASQW-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)C1C[C@H]2CCC[C@H](C1)C2	2218342244	ZSWLZQDPSRGCRG-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CCC[C@]1(CC2C[C@H]3CCC[C@H](C2)C3)CCCN1	2218364213	IDAWTLLEGYXBNV-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@@H]1CC[C@@H]1C	2220517806	CDDWHEAGLNAOAT-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)[C@@]12CCCC[C@@H]1CCC2	2220878397	REDDJYVDLUSVLT-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H](CCCC[C@H]1C[C@H]1C)NC	2247174009	UYIDYDQIJNLUOC-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)NCC[C@@H]1CCCC12CC2	2247603573	VHVBQZBATXMWDR-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](NC(C(C)(C)C)C(C)(C)C)C1(C)CCC1	2247750052	DGFBEEPSOXUUTP-LBPRGKRZSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](NC(C(C)(C)C)C(C)(C)C)C1CCC1	2247758360	VETTUZRVXBIVAN-ZDUSSCGKSA-N	239.447	4.616	0	10	BJAE	
C/C=C/CCC[C@H](NC)c1csc(C2CC2)c1	2248043547	ABKGQVFHDXZKQD-XGACYXMMSA-N	249.423	4.632	0	10	BJAE	
Cc1ccc(OCCCCC[C@H]2C[C@@H]2C)cc1	2248814471	MOJIBEBGGOTVNY-GJZGRUSLSA-N	232.367	4.590	0	10	BJAE	
CC(C)CCC[C@H](N)CCCCC[C@@H]1C[C@H]1C	2248845637	QMTAOGLRVLININ-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](O)CCCCC[C@@H]1C[C@@H]1C	2248846955	WYDUUIWFUPSBLO-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)[C@H](CC[C@@H]1C[C@@H]1CC)NCC	2250351660	FMYDUVBDNUMSGM-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@]1(C)C=CCC1	2250492712	XABQHKAMRSKECW-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@]1(C)C[C@@H]1NCC[C@H](C)CCCC(C)C	2250526589	FJZBULOALVHOTJ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)c1ccc2ccsc2c1	2253075314	HQBVNNAMFJERJY-NHYWBVRUSA-N	247.407	4.583	0	10	BJAE	
CCN(c1ccc(F)cc1)[C@@H]1C=CCCCCC1	2253417043	UNNXWPVINLLPGX-OAHLLOKOSA-N	247.357	4.541	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@H](N)CC[C@@H]1CCCCC12CC2	2253821029	ZKYCBRMXOVNVOY-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C[C@H](N)CC1CC2(CCCC2)C1)C1CC1	2254105914	IKCCMPIIPZVSAZ-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC1(c2ccc(NC[C@H]3CCC3(C)C)cc2)CC1	2254978242	OVGUEJAARRGEBC-CQSZACIVSA-N	243.394	4.586	0	10	BJAE	
O=C(CC1=CCCCC1)C1CC2(CCCCC2)C1	2255051351	BCAWNHABJKVGAD-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
O[C@H](C[C@H]1CCCC12CC2)C1=CCCCCCC1	2255326308	DFLSIXWIZDVPMV-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)CCC=CCCC1	2257249871	WELWCJYFYOCUMC-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC[C@]1(C)CC=CCC1	2257316225	QBEXKRQREOTEEJ-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC[C@@]1(C)C=CCCC1	2257362631	TVBFUBAVQAXLGM-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](N)(C1CCC1)C1CC1	2257362768	UPLGLRWGYHHWLL-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN(C)C2CCC=CCC2)C1	2257963916	QWBJQDMIHAUMQP-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
Cc1cc(NCCCC[C@@H]2C[C@@H]2C)cc(C)c1C	2258233538	OXBMOJKUUDJVGW-GOEBONIOSA-N	245.410	4.850	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1C[C@@]12CCCC[C@@H]1CC2	2260650544	FDFHNDGHPDLJCR-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](c1cccc(C2CCCC2)c1)C(C)(C)C	2260674625	ODYSZUFZBNGRGG-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](NC2CCC=CCC2)C1	2261403199	QKMUWXZBILGRRS-OAHLLOKOSA-N	249.442	4.680	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](O)C[C@@H]1C[C@H]1C	2298648403	IFSRYULAWHCFNI-LVQVYYBASA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@H](C)CC1CC1	2298906772	BQHBZFHDLBCYEZ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@]1(CO)CCCCC12CC2	2300675900	JHPWGUPWVZTSSG-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCC[C@](O)(CCC(CC)CC)C1CCCC1	2300677842	DRFQPUWCEVZBEA-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC(C)=CCC1(N)CCC(C(C)(C)C)CC1	2300889614	WZHLRXNVZJAHFA-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CCCC[C@@H]1C(C)(C)C	2300898379	CXGVRWYZWMICPJ-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CC1CCCCCC1	2301132815	FCCUIKMTNLPJGJ-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CCCCC(=O)CC[C@H]1C[C@H]2CCC[C@H]1CC2	2301148046	PZFJFIPOEWWPHY-KKUMJFAQSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H](O)[C@@H](CC2CCCCCC2)C1	2301240295	YGSVJXVZMGZNFX-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CCC1=CCCCC1	2301926253	NBNNUTDAHYFXOX-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CC=CC[C@H](CCC1=CCCCC1)NCCC	2301935883	QPKQHZFELYIIIW-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CCC[C@](O)(C[C@H]1CCC(C)(C)C1)C1CCC1	2302709599	JMMXGJKJCKLZJX-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)(C)C1)C(C)(C)CC	2302902602	RCYMPIAFERRFCE-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN(C[C@@H]1CC[C@@H]1C(C)(C)C)C(C)(C)C	2303510919	LADSYRXSISZWRC-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(CC)c1nc([C@]23CCC[C@@H]2C3)cs1	2307689139	SIRLWRPIOVVYSD-ABAIWWIYSA-N	249.423	4.662	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccc(C)c(F)c1	2307763503	MUUZIDIXVDXRJV-GFCCVEGCSA-N	236.330	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@]1(C)C=CCCC1	2307892571	FIUYNDAIJFXHKZ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C[C@H]1CCCC1(F)F	2307923690	LUTZOTOWCQVQPX-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CC[C@@]3(C)C[C@@H]23)cc1	2310550079	MWPZLMJTQJSHGV-ZOBUZTSGSA-N	243.394	4.585	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(C[C@@]23CCCC[C@@H]2C3)C1	2311150183	ZTBUFDDOUDYQLE-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2313292556	RLNLBXKRUCKXBC-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC(=CCC(=O)c1coc(C)c1)CCCC(C)C	2316560592	RTZHAFVWGJFNDP-UHFFFAOYSA-N	248.366	4.933	0	10	BJAE	
CC(=CC[C@H](N)[C@H]1CC2CC1C2)CCCC(C)C	2316584245	WMAIJJAZUBZRKO-GQGLESIBSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCC[C@H]2C[C@H]21	2317914282	ALGYCFXNUZZGER-NILFDRSVSA-N	247.357	4.550	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)[C@@H]1CCC2(CC2)C1	2318579126	FEFFYJFAFVHZKN-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CCCN(Cc1ccccc1C1CC1)C(C)(C)C	2319151917	LZWJPYCZDDTAIH-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2C[C@H](C)CC[C@@H]2C)CC1	2320268793	TWVXTESYFBPNBE-JWZBEHFJSA-N	249.442	4.537	0	10	BJAE	
CC(=C[C@H]1CC[C@H]1C(C)(C)C)[C@H]1CC[C@H](N)CC1	2320311493	MRSWEAMWFGNSRA-KLHDSHLOSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2C(=O)C[C@@H](C)C[C@H]2C)CC1	2320347945	MGMQEQHTTRRWJH-SRMUXQRQSA-N	248.410	4.764	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1cccc(C2CCC2)c1	2320655978	XHJMSARIDSLQBP-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CNC[C@]1([C@H]2CCC[C@@H](C)C2)CCC=CCCC1	2326700853	BIWWLDBEJIYYDA-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)[C@@H](N)c1ccc(C(C)C)cc1C(C)C	21007835	HYYAUDTWCGUKTI-CXAGYDPISA-N	247.426	4.979	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)c2ccc(C)s2)c1	21508802	GRGRJMNLDLSQJG-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CCN[C@H](CC)c1ccc(C2CCCCC2)cc1	35550803	DRMDBLKPAUTMKH-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CSc1ccccc1NC1CCCCCC1	36957210	LQUXVAHNTZYEKP-UHFFFAOYSA-N	235.396	4.543	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)C1CCCCC1	37267241	NTKDFDZBJFPRSW-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)c1cccc(C)c1C	68863320	LNSJQVAZXKRYTQ-HYVNUMGLSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1ccc(C)c(C)c1	68863541	XUQGZAYVBDSLJZ-DOTOQJQBSA-N	248.410	4.943	0	10	BJAE	
CCCCC[C@H]1CCCCC[C@@H]1NCCC	71084117	BJMSTGNZQYAYJO-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
Clc1ccc(N[C@@H]2CCC[C@@H](C3CC3)C2)cc1	81623943	IHLGZGXPQZGBDB-IUODEOHRSA-N	249.785	4.721	0	10	BJAE	
Cc1ccc(Nc2cccc(F)c2)cc1Cl	82715736	ZFYMJFFWEYGAIA-UHFFFAOYSA-N	235.689	4.531	0	10	BJAE	
CCC1CCC([C@@H](O)c2ccc(C)c(C)c2)CC1	85077774	CCTSSPJTKUHAPP-VMBOVVBDSA-N	246.394	4.553	0	10	BJAE	
C[C@H]1CCC[C@H]1Nc1ccccc1C(C)(C)C	86672742	ZGWZQOJAXAJHJR-GXTWGEPZSA-N	231.383	4.585	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccccc2F)CC1	86893885	ULWBFBHACYYANT-OLZOCXBDSA-N	235.346	4.597	0	10	BJAE	
CC(C)CC[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1	87187949	FVNULPWUKGVBFB-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C1CCC(C(C)C)CC1	87962121	BBHLFMHDOJIHHT-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
Clc1cc(Cl)cc(-c2cccs2)c1	90484335	UOQJFUWRQJNPLT-UHFFFAOYSA-N	229.131	4.722	0	10	BJAE	
CCCN[C@H](CC)[C@H](CC(C)C)c1ccccc1	92596168	FFACYZMPGMNIAI-IAGOWNOFSA-N	247.426	4.595	0	10	BJAE	
CC[C@H]1CCC/C(=C2\CCc3cc(N)ccc32)C1	94338549	SPNUJQTXEBFHGZ-OFEBGVABSA-N	241.378	4.569	0	10	BJAE	
C[C@H]1CCc2cc(CC3CCCCC3)ccc2N1	97863427	AFLMWNKQELEBOU-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H](C)C(C)(C)C)CC1	122482146	PXKNIQBZJZMTDS-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCC[C@H](C3CC3)C2)C1	149551987	LKIVMMSCORAKPC-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@H]2CCC(C)(C)C[C@@H]2C)cc1C	155817361	AQEOZGDCJYZSLJ-HOCLYGCPSA-N	245.410	4.930	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCC(C)(C)C[C@@H]1C	155957623	RTWHVAJIFNTMMJ-KCQAQPDRSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1cc(C)cc(F)c1	162541129	GVQXYFGDKYKRLA-SWLSCSKDSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1ccccc1Cl	168885521	GDIOXBYOQFZCEV-RISCZKNCSA-N	240.774	4.590	0	10	BJAE	
CC(C)[Si](c1cccs1)(C(C)C)C(C)C	195991246	KYKOOMBOQUFLIH-UHFFFAOYSA-N	240.488	4.634	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)C2CCCCCC2)C1	227359535	NMTPTTRZNIMCML-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](NC)c1cc(C)cc(C)c1	229476095	KYSOCGFFOLCTNU-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CC(C)CCC[C@]1(O)CCC[C@@H](CC(C)C)C1	230783240	DMWRRIMMGKOAGB-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)c1ccc(Oc2cccc(N)c2)cc1	232337027	MCTAOFCVECBSQM-LBPRGKRZSA-N	241.334	4.575	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NCC2(C)CCC2)cc1	232765031	XATMKBZUBBQPTR-CQSZACIVSA-N	245.410	4.651	0	10	BJAE	
CC1CCC([C@@H]2C[C@H](C)Nc3ccccc32)CC1	232864655	XYBFJCFOOZDMOI-HTHKGWQXSA-N	243.394	4.801	0	10	BJAE	
CCCCC[C@@H](C)c1c[nH]c2ccc(OC)cc12	232959705	RCKSUONQBIZYFJ-GFCCVEGCSA-N	245.366	4.860	0	10	BJAE	
CCCN[C@@H]([C@H](C)CCC)C1(C)CCCCC1	233135833	WNDRNHCYKQDQPF-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(N[C@@H]2CC(C)(C)C[C@H]2C)c1C	235320729	PZHPIAXWTUYLOR-IUODEOHRSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@@H](C)C[C@H]1C	251408974	WSNYFTBECHLWTD-LVQVYYBASA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CC[C@H](C)CC2)CC1	253113902	DZRDJAHODRBPTD-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCSCc1cc2cccc(Cl)c2s1	257890206	MCXNKFHMFWGVEY-UHFFFAOYSA-N	242.796	4.808	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@H](C)c1ccccc1	300471413	IJGCJYVMQYGTCG-ZMSDIMECSA-N	247.426	4.595	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C1CCCCCCC1	302246462	AQNPMDBDUHZXHR-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@](C)(CCC1CCCC1)CNC1CC1	302260828	OMJUQUSCEPVKCX-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@@H]1CCC[C@H](C)C1	302375753	MGKIINUXDLDQNS-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CSc1cccc(NC[C@H](C)C(C)(C)C)c1	304236231	CBMFWFZSHMBLRK-NSHDSACASA-N	237.412	4.503	0	10	BJAE	
C[C@@H](CCCC(C)(C)C)[C@@H](N)c1ccccc1	305910011	HUADPHNVMYQOTN-DZGCQCFKSA-N	233.399	4.539	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)CCCc1ccccc1	305921446	MFLFHDOJVYTLIR-INIZCTEOSA-N	248.410	4.587	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)C)C(C(C)C)C(C)C	306078652	BPCQVVIXJZXDFW-CABCVRRESA-N	241.463	4.575	0	10	BJAE	
CCc1cc2cc(Cl)sc2cc1SC	306627992	ZWZFTBISINDOBB-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1c(Cl)cc(CC)c2sccc12	307122301	LIENWCLFWIEGEA-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCC[C@H]1CCc2[nH]c3ccc(CC)cc3c2C1	307990900	XFJGLEMTXQEWMP-ZDUSSCGKSA-N	241.378	4.635	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1ccccc1C(C)C	308034217	RHXFIOGIYDTXTK-YOEHRIQHSA-N	248.410	4.916	0	10	BJAE	
CC/C=C/C=C/C=C/C=C/C=C\OCCC	309273969	DDGFFDQTTWLPQJ-JGXNYJGUSA-N	218.340	4.562	0	10	BJAE	
CC1(C)CC[C@H](N)[C@@H](CCC2CCCCC2)C1	310068119	PIWNEVIYDVXDMD-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]([C@H](C)CC(C)C)C1(C)CCCCC1	310183373	UXTKHJHUOIBPQY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@H]1CCC[C@@H](C)C1	313459690	FWOTWECOFVTTNT-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](CNCC(C)C)C(C)(C)C	319410289	NKFPEXGVLBHTML-KKUMJFAQSA-N	241.463	4.577	0	10	BJAE	
CC[C@H](NC(CC(C)C)CC(C)C)C1CCC1	324842737	XCPJSUFWDMHDLZ-INIZCTEOSA-N	239.447	4.616	0	10	BJAE	
CCCNC[C@H](CC)C[C@@H](C)C1CCCCC1	379966379	FUJAQRYTGKKHBG-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1CCCCC1(F)F	381734242	SZAJAVHUXPDEKB-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC(=O)CC(C)(C)CCCCCC(C)C	383189676	WMEZLUJAUUEZON-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CC[C@@H](C)C[C@H](CCCCCC(C)C)NC	383213836	CQHXTLVZHPTQAQ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@@H](C)CC(C)(C)C)c1	384881162	JWSJRZITGYKNKJ-LSDHHAIUSA-N	247.426	4.779	0	10	BJAE	
CCCC1(C(=O)Cc2ccc(C(C)C)cc2)CC1	393985679	GQLDIFJGKZULNL-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC(C)NC[C@H](C)[C@@H](C)CCC1=CCCCC1	395311115	HAEMZDFEJKBWLB-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)NC[C@@H]1CC[C@@H](C)C[C@H]1CC1=CCCC1	400622053	JAIWGBGAVZMOSB-PVAVHDDUSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@@]1(CC2=CCCC2)CCC[C@H](C)C1	401067212	HVZWFDWDIGXKFD-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C1=C(C[C@@H]2CCOC3(CCCCC3)C2)CCC1	401067935	IJTVBLIIDKZQRM-HNNXBMFYSA-N	234.383	4.616	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1coc2ccccc12	404708266	YXHFQCJBSPXTBV-BLLLJJGKSA-N	246.350	4.539	0	10	BJAE	
Cc1cccc(C)c1OCCC(C)(C)C1CC1	405956302	KUJARXAZLOLDCV-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CC(C)(C[C@@H]1CCCCC(=O)C1)c1ccccc1	686745555	LXRDGSIGAMDGQK-CQSZACIVSA-N	244.378	4.504	0	10	BJAE	
CCC1([C@H](O)c2ccc(C3CCC3)cc2)CCC1	687579863	GKOPFIFGVPBIRF-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
Cc1cc(C)c(-c2cccc(N)c2Cl)c(C)c1	690835789	GLDJRURELZEJBY-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCc1ccc(F)c(CC2CCCCC2)c1	694940758	GYAWBGIAZBAWHZ-UHFFFAOYSA-N	220.331	4.511	0	10	BJAE	
CC(C)(C)c1cccc(CC2CC2)c1Cl	694973755	ZHWBFLDMDXVGRH-UHFFFAOYSA-N	222.759	4.590	0	10	BJAE	
CC[C@@H](N[C@H](C)C(C)(C)CC)c1ccc(C)cc1	695101844	XKZPSOXUBYCASA-GDBMZVCRSA-N	247.426	4.860	0	10	BJAE	
C1CCCC(NCC2CCC3(CC2)CC3)CCC1	695699423	IDHPNLARGLDEEL-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCCCC[C@@H](C)NCC(C)(C)C(C)(F)F	697132810	AYKXGTCWNLLURZ-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCNC/C(=C/[C@H]1CC1(C)C)C1CCCCC1	700663967	QCPVNPBMOUPEAR-QZFKAFNDSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(CC)C1(O)CC(C)(C)CC(C)(C)C1	701048568	JQCRTXJPJSLWSX-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CCCC(C)C	703962352	YHOFTFSQMIGMHG-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)C1CCCCCC1	704473022	NCXGFKGQUNTCAG-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@](C)(N)CC1CCCCC1	704798657	MWGSCXXNMSUPEU-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](N)(CCC1CCCCC1)C1CCC1	705362148	JHWAEMFZDQGGHM-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CC[C@H]3CCC[C@@H]32)CC1	707876842	JIQKWOKSIAMALN-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)(C)C)[C@H](C)C(C)(C)C	709087157	KORSNXAOMSFFJT-MELADBBJSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](N[C@H](C)C(C)(C)CC)c1cccs1	710023107	GOUIBQRBQZYQLY-NEPJUHHUSA-N	239.428	4.614	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](C[C@H](C)C(C)(C)C)NC	711225517	SXSXLXCDBBXWRA-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@H]1CCCCC1(C)C	713132791	KNGRCBKMJARUCF-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C1CC(C)(C)C1	713160709	XXKRJUHVRALVEB-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CC(C)(C)C(C)C)C(=O)O	713186569	IPHDCVHCLJHYBV-HNNXBMFYSA-N	242.403	4.730	0	10	BJAE	
C/C=C/[C@H](C)Cc1ccc(SCC)cc1	714549901	LQIIDJMASIXKCR-FUEXJSSKSA-N	220.381	4.553	0	10	BJAE	
CCC[C@@H](NCCCCC1CC1)C1CCCC1	716370353	HKACZHGTVQPTAF-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)c1ccc(C(F)(F)F)cc1F	757568925	TUEJUIOGBROMKC-UHFFFAOYSA-N	232.220	4.658	0	10	BJAE	
C=C/C=C/CCS[C@H](C)c1ccc(F)cc1	1559365906	BJMCMTOLTFHIDD-ZYOFXKKJSA-N	236.355	4.752	0	10	BJAE	
CCC[C@@H](C)S[C@@H](C)c1ccccc1F	1652626159	BYZZYMQDSDJGTQ-MNOVXSKESA-N	226.360	4.809	0	10	BJAE	
CC[C@H](NC1CCCCC1)c1ccc(C)c(F)c1	1664035461	CVMLLDYMACSDKM-INIZCTEOSA-N	249.373	4.508	0	10	BJAE	
CCC(CC)c1ccc(Cl)c(C)c1F	1889481336	RKQHOMHAPJUNMV-UHFFFAOYSA-N	214.711	4.691	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H](C)[C@H](C)C(C)C	1901645337	XJUBVGMKUZDJII-ILXRZTDVSA-N	228.420	4.636	0	10	BJAE	
Cc1cc(-c2cccc(OC(C)C)c2)cs1	1901895090	MAEQCCIWQPHBRG-UHFFFAOYSA-N	232.348	4.511	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1sccc1CC	1905433093	FOJZCTVTAJKVBL-DGCLKSJQSA-N	239.428	4.527	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](NCC)C(C)(C)C	1905452397	CPSAFMFWVAKSHJ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](CC(=O)C[C@@]12CCC[C@@H]1C2)C(C)(C)C	1909389450	RVCLTXIJEKITHC-IOASZLSFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@](C)(O)CC1CCCCC1	1910695807	IMGHRRXHKVIPEN-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC(=CC1CCC(C)(C)CC1)C[C@@H]1CCCCN1	1911535093	HDALBKOALSGXRT-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C=CC=CCCC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	1911783828	HZZJXTXRFIXMAX-ZIAGYGMSSA-N	234.383	4.540	0	10	BJAE	
CCN[C@H](C1CCCCC1)C1CC2(CCCC2)C1	1912607387	RRTRSZAFDQGDEA-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@@H]1C=CCC1	1913386324	KZEUNZFMXLMFNF-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CC(C)CC[C@@H]1CCCCCCCC[C@@H]1N	1913402496	FDDLLSBCKDNLPU-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CNC2CC2)C=CCC1	1916373391	VKBCCSYMEAZGHA-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1C[C@H]2CCC[C@H](C1)C2	1923480885	RWYCWWVVVTVWNF-JKQORVJESA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@@](C)(CC)C[C@@H]1C=CCCCC1	1925797367	DPFBHPXTSJLALJ-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC1CCC(CN)(C[C@@H]2C=CCCCC2)CC1	1925919541	FKGUTYXLKSIROV-AQFXKWCLSA-N	249.442	4.668	0	10	BJAE	
CC(F)(F)C(C)(C)CC[C@@H]1C=CCCC1	1932598700	NWBHEDQFSGKPNE-LLVKDONJSA-N	216.315	4.804	0	10	BJAE	
CC1(C)C[C@H](Nc2ccsc2)CC2(CC2)C1	1937466454	OYEJCSVUTBZHOE-LBPRGKRZSA-N	235.396	4.519	0	10	BJAE	
CCCNC[C@](C)(CC)CCCCCC1CC1	1941596005	LCSMPDKVNQUONO-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)C1CCCCCCC1	1942656361	CZCBLLRTPMKZCW-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC1C[C@H](C)C[C@@H](C)C1)NCC	1944201390	BMISZCKMCNTXCG-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CNC[C@@]1(CCC(C)=C(C)C)CCCC1(C)C	1944475909	QXTZROUCOXLHCM-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)CC2(C)CCCCC2)C1	1945581546	GOBQWXNUEMIRNN-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
O[C@@H](CC1CCCC1)c1cccc2sccc12	1945962083	RNVFBQCRWVEKAM-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCCCCCC1(F)F	1947291076	ZVFFNBCTVBZTBY-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
FC(F)(F)c1ccccc1CC[C@H]1C=CCC1	1947551608	HNSXXSBMLUDSOM-NSHDSACASA-N	240.268	4.604	0	10	BJAE	
CCCC[C@H](CC[C@H]1CCC[C@H](C)C1)NCC	1948434096	WUBZFJKDVRZKJS-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CCC1CCCCC1	1948932265	IVARDYHHIZDLIR-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CCC[C@H]1CC1(C)C	1949052657	DGPUDUHODHHUJS-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H](C(=O)[C@@H]1CCC(C)(C)C1)C(C)C	1949501833	PTJHSKRFDVFGDL-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CCCCCC1(N)CC2(CCC(C)(C)CC2)C1	1950561437	UQKIMJCCUJYNST-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C2CCCCCC2)CC1	1950928906	BSFYARRWDMIMKK-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@@H]1CCC[C@@H](C)CC1	1950930913	SIBRZHVESIETMH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H](CNC[C@@]1(C)C=CCCC1)C1CCCCC1	1967837130	MXQSRHMVHZBLQW-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C1CCC(N[C@H]2CCCC3(CCCCC3)C2)CC1	1968244691	RUGNBPHZBHAVQD-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
Cc1cccc(NCC[C@H]2CCC[C@@H](C)C2)c1C	1968250727	SBLKBIHUHNDWCE-CZUORRHYSA-N	245.410	4.932	0	10	BJAE	
C[C@H]1C[C@H](NC2(C3CCCCC3)CC2)CC[C@H]1C	1970594546	FSJYCDCBUHZIKY-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](c1ccsc1)C(CC)(CC)CC	1978564805	SZQLVCCQMIVYIK-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)C(CC)(CC)CC	1978587838	WMAWBUZMKQMGAB-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)CC[C@@H](O)c1ccc(Cl)cc1	1980681946	QEYOXLKRSCXLEW-BXUZGUMPSA-N	240.774	4.590	0	10	BJAE	
CCC(C)(CC)C(=O)C1(C)CCC(C)CC1	1983314998	VSZIHWYSPMJJJL-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(=O)[C@H]1CC	1984361873	MLECDUBABXEUSQ-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cccc(F)c1Cl	1989823058	BCGUVWSZJWWKGJ-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cccc(Cl)c1F	1989823699	IMPJFBTTZNUSEN-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
CC=C(CC)[C@@H](CCC(C)(C)C)NCCC	1992046995	OEOOHUOGKAANRN-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C1CCC(C)(C)CC1	1996546273	INTNQRBVVRZITJ-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CCNC[C@H]1CCC[C@@H](C)CC1	1997117991	UWPNTZNXYFYOQA-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(C)CCN[C@@H](C)CC1=CCCCC1	1998380563	OUFVIRRSSZTNBZ-HNNXBMFYSA-N	235.415	4.601	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H](C)CC(C)(C)C	1998388022	WVRKHPAGNWAXEI-UONOGXRCSA-N	237.431	4.680	0	10	BJAE	
CC(C)=CCCN(C)[C@H]1CCCC(C)(C)CC1	2000894798	MBSJABPHZLJMEB-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CCCC1CCC([C@H](C)CNC(C)(C)C)CC1	2002922185	VWVJNAGXGUVFCV-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCNC[C@H]1CCCC(C)(C)C1	2003028713	XURPFSKXRGRURQ-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CCCCCC[C@H]2O)C1	2003097464	ATCXCIIOAMCZOH-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CC[C@@H]1CCCCC[C@@H]1CNC(C)C	2004229381	ZRPAQZGBHLRIRG-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC)C[C@@H](CCC(C)C)C1	2006623891	MUVFIPFKEYZJTR-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H](CC)C(C)(C)C)NC	2009635132	LJSTYGDENKSKAX-LPXAQJHASA-N	239.447	4.783	0	10	BJAE	
CC(C)(C)[C@H](N)CC1=CC[C@H](C(C)(C)C)CC1	2010729507	OWOKAZJTVCBODL-UONOGXRCSA-N	237.431	4.523	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C1C[C@@H](C)C[C@H](C)C1	2013305415	BUDILRAUCYVZET-KKUMJFAQSA-N	239.447	4.568	0	10	BJAE	
CCCC1(C[C@@]2(C(C)(C)C)CCCN2)CCC1	2015641440	FFLGQDFHZCWJCS-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C[C@H](N)C1(C(C)(C)C)CCC1)C(C)(C)C	2017131763	UUIZULNWEWTVAA-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@@H](C)CCC(C)C)C1	2019200339	GYDONWGRYKAQQD-ARFHVFGLSA-N	239.447	4.712	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@H](C)[C@H]1CCC[C@H](C)C1	2019384889	KHOTURFRAXUHDP-GVRJEKJASA-N	239.447	4.568	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@@H]1C[C@@H]1CCC	2022503414	XXIWNFQFELYTIG-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC(=O)[C@@H](C[C@@H]2CCC=CCCC2)C1	2023625837	YBFRVYPNPYRIQL-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)C[C@H]1CCCC(C)(C)C1	2024124220	ORPATKCADUJPAR-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CC1CC(CC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2027590744	LTFCBUIBMZUQRR-KDQUWOQTSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)CC[C@@H]1CC1(C)C	2027817674	FRUSUJINLINCJI-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@@]1(C2CCCCCC2)CC=CC[C@H]1C	2027926158	LHWIHIOURKGGEG-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](CC2CCC=CCC2)C1	2028869687	KDQIFAVMANBFTE-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1ccc(C2CC2)cc1	2029077825	KEOYOXMIRGNSIC-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
C=CC=CCC[C@H](NCC)C1C[C@H](C)C[C@@H](C)C1	2030232097	XWHCGLFYHMHRMC-INMHGKMJSA-N	249.442	4.559	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCCC2)CCCC1(C)C	2032112366	PVBDWHGDTALMGE-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1[C@H]2CCCC[C@H]21	2032833570	GQGAJOXAXDRFBU-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1C[C@H]2CCCC[C@@H]2C1=O	2034259207	BHABGPARKNPCTB-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC[C@@H]1C(C)C	2035401776	ZMPZHORTUPMKKX-NVXWUHKLSA-N	245.410	4.876	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC2CC2)CC12CCCC2	2036103428	CYSJGCOCWLKUFI-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1)C1CC1	2036661395	PKULOZLVTJMJEM-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
CCC1(C[C@H]2c3ccccc3NC[C@H]2C)CCC1	2037222923	GTUOTYXADZQACY-UKRRQHHQSA-N	243.394	4.802	0	10	BJAE	
CC(C)C[C@@H]1CCCN1[C@H]1CCC2(CCCC2)C1	2037672903	QUWZEZOKLSBYMK-HOTGVXAUSA-N	249.442	4.610	0	10	BJAE	
CCCNC[C@@]1([C@@H]2CCC(C)(C)C2)C=CCCC1	2037694511	MXXZPZBZSOQKKM-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](NC2C[C@@H]3CCC[C@H]3C2)CC1	2038619856	VDXUBGGGZZDVNX-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(NC[C@@H]2CC23CCCCC3)c1F	2039050218	GMSMZHWCKBFALE-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CC[C@@H](NC[C@H]1CC12CCCC2)C1CCCCC1	2039077853	CMZZDXZGVAOKHV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@H]2C[C@H]2C2CC2)CC1	2039369475	JQMPNUXZSRCZFP-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC(C)(C)C)NC1CC2(C1)CC1(CCC1)C2	2039461339	DCTXOTWTWWADCM-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NC1CC2(C1)CC(C)(C)C2	2039462140	PAFTXHMOOTUQRY-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CC1CCC([C@@]2(CNC(C)C)CC=CCC2)CC1	2042088656	HSVXVKIXUZEEGX-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1=CCCCC1)NCC1CCC=CCC1	2043195510	VDAHXEPYTSOQJB-OAHLLOKOSA-N	247.426	4.601	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)C[C@H]1CCC=CCCC1	2045318198	SNYJWNJYOCRMDU-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
O[C@H](CC[C@@H]1CCC=CCCC1)c1ccccc1	2045346568	UUUZCBJBBAPLGV-NVXWUHKLSA-N	244.378	4.637	0	10	BJAE	
CCCc1ccc([C@H](CCCC(C)C)NC)cc1	2045640478	DZLFCVWKXNXJGE-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@H]1CC(C)=C[C@H](C)C1	2045693719	BYHRGWFMSKUUDC-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H](NC)c1c(C)oc2ccccc12	2045737063	AZJAWFRKISEKJE-AWEZNQCLSA-N	245.366	4.582	0	10	BJAE	
CC(C)(C)NC[C@H]1CC12CC1(CCCCCC1)C2	2046227306	WQJSVZYZHLXNJD-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@H](C[C@@H]2CC23CCCC3)NCC)CC1	2047023271	KUZBTWCZEFNZMX-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1([C@](C)(N)C2[C@@H]3CCCCC[C@@H]23)CCCCC1	2049210475	BQVOMXCCMWJDBW-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C[C@H]2C=CCCC2)C1	2049538515	ZJIBWLNRTORUAE-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CCC1(C)CC([C@H](N)CC2CCC3(CC2)CC3)C1	2049847900	FNDFFNKLFLUBGI-HWOWSKLDSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1C(=O)CC1CCC2(CC1)CC2	2049934194	UVWPKURDDVCGND-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C(=O)CC[C@H]2C=CCCCC2)c1	2050456845	VPHQTWVSZMKPMN-HNNXBMFYSA-N	242.362	4.704	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C1(C)CCC2(CC2)CC1	2056558284	DMUZTLKVSPGLKV-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C[C@@H](N)c2ccc(C(C)C)cc2)C1	2056716896	SOQROMNQQWYXOF-MQBCKMQZSA-N	245.410	4.636	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)C1CCCCCCC1	2056875851	KVOLBDATSSZBPZ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@]3(C(C)C)C[C@H]23)c1C	2058561660	FZSKRMCGYNNGGY-OIISXLGYSA-N	243.394	4.540	0	10	BJAE	
C/C=C/CCC[C@H]1CCCc2ccccc2C1=O	2059202874	DNNNBJAYJHKIRB-FAAWYNLUSA-N	242.362	4.568	0	10	BJAE	
C/C=C/CCCNC1CCC2(CCCCC2)CC1	2059226043	VHOZRBBXCYQDLQ-NSCUHMNNSA-N	249.442	4.825	0	10	BJAE	
CC=CCCCC[C@@H](NCC)c1cccc(C)c1	2059248210	ZPFNPYDSBRQTFR-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CCCC1CC(N[C@H](CC)c2ccc(C)cc2)C1	2059391374	AZOPUUUVTMYCJR-BDVYOWHSSA-N	245.410	4.614	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CC1)C1=CCC(C)(C)CC1	2061093205	WCHKBGFFSRBJRQ-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](CC)CC1)C(C)(C)C1CC1	2061141086	SBDZDUJEHPCRQK-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCC1)CC1CC(=C2CCC2)C1	2061699117	IMWRCCJXTMYETB-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
N[C@@H]1CCCCCC[C@@H]1C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063486837	LZDLZWGUTDEZBB-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CNC1CCC2(CCCCCC2)CC1	2065893058	UDGILTXOTKZVHZ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(C[C@H]2C=CCCC2)CCC1(C)C	2068232489	GMDUBPVTMUGCKU-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
NCC1(C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCCC1	2068771774	PDBHLBWYGRLJIR-PHZGNYQRSA-N	249.442	4.502	0	10	BJAE	
COc1ccc(N[C@@H](C)CCC=C(C)C)c(C)c1	2070398867	NUNWAPDNRVSRAV-AWEZNQCLSA-N	247.382	4.550	0	10	BJAE	
CC[C@@H]1C[C@H]1CCN[C@@H]1CCCCC12CCCC2	2071464433	DUYSLRADMRDUQV-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@H](N)C2(CC3CC3)CC2)CC1	2072796954	ULRRIHLIPLRDIP-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@]12CCCC[C@H]1C2	2074115368	XLNFXEHMGZKISM-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
CC=C(CC)C[C@H](NCCC)c1cccc(F)c1	2077195902	QCWYIKHVFUURFT-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@@H]1C[C@H]1C1CCCCC1	2079491344	IQGMBDMXKJVUPV-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2C[C@@H]2C2CCCCCC2)C1	2079525975	CVAJNQWWBAZBQM-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@H]1C[C@@H]1C1CCCC1	2079664174	DEBNFTSBELTPET-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1CC1)C[C@H]1C[C@H]1C1CCCCC1	2079839655	VUBLSMDDBLGODF-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)CCNCc1cc(C)cc(C)c1C	2082907927	OSYFPPRTHJORBW-ZDUSSCGKSA-N	247.426	4.528	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2CCC[C@H]3C[C@@H]32)C1	2082983070	PJTDIVFFRGPNSI-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C[C@H]1CCCNC12CCCCC2)C1CCC1	2083814544	RJHWWVZCIRDXGS-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](CN[C@@H](C)CC)C(C)C	2212583806	JHJDYRJEQDABDO-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@](C)(CC)CNC1CCC1	2212589105	PWKMVODHGVWZOZ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
Cc1cscc1NC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213291937	IFGNARLTLJQQJI-WDNDVIMCSA-N	249.423	4.685	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](N)CCCCCCC1CC1	2213576359	PACAUHYATIXUFO-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@](N)(CC)C1CCCCC1	2215253367	OGWCSOGLMCPGHB-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC1(C)CC(C)(C)C1)NCCC	2215397403	CLUYYTDAGSGQME-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)CCCC(C)(C)C)CC1	2215801859	KPZHFQOLEXZYBK-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCCC(CCC)NC[C@@]1(C)CC=C(C)CC1	2215823481	JMQJKLYKRHQWBL-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@@H](C(=O)CCCCC(F)F)C(C)C	2216502905	PODWCXQJHYNCJK-GFCCVEGCSA-N	248.357	4.699	0	10	BJAE	
CC[C@H](CCC1CCCCC1)CNC1CCC1	2217124477	HUERXLWSEQNHQP-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@H]1CCC1(C)C	2217126861	VAJAKIYLXHKJAY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NCC(CC)(CC)CCCC(F)F	2217128820	LIXRQIKHWADWJG-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](C)NCC(C)(C)CCCCC(C)(F)F	2217140922	KTOWFAZEQHTHCU-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1CCC2(CC2)C1	2218730880	KRRPTUYZPKUIOQ-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CN(C[C@]1(C)CC=CCC1)[C@@H]1C=CCCCCC1	2221600319	JSWHECQTSVNZMZ-IAGOWNOFSA-N	247.426	4.554	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CC[C@H](C(C)C)C2)CC1	2221645851	NJFLKCOVRMAONZ-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@H](CN[C@H](CCC(C)C)C2CC2)CC1	2221668824	RJDCRIGAZDZEMU-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
NC1CC2(CC(=CCCCCCCC3CC3)C2)C1	2223109014	GSGOLLUCQIPJBL-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC(C)C[C@@H](C)[C@@]1(CNC2CCC2)C=CCCC1	2223542454	QRGUPNICNLKCTR-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC(C)=C(C)C)NC	2244767279	GUZIWNVKHBBLDK-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C1(C)CCCCC1	2247162292	GMLPXRUMJODUDY-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H](O)CC1CCCCCC1	2247408405	QWHNBCNHMPXFNQ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2=CCCCC2)CC1	2247455031	IEKVWYNLQXJGQL-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CCNCC(C)(C)CCCCCC[C@H]1C[C@@H]1C	2248795064	DEYCGPNMPKEDFL-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C(=O)[C@H]1CCC2(CCCC2)C1	2250354087	ABKBJDPOJOQODJ-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1(C(C)(C)C)CCC1	2250359561	SJXBGKXFIVBIPJ-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CC)[C@@H](CC)CCC	2250361785	PWHHQQQREFGKDM-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@H]1CCCC2(CC2)C1	2250389186	HAEASTAWGBZHDS-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(C)CC[C@H](O)C1	2250485026	JIEVIXROLJFAMQ-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC=CCCCNCC[C@H](C)CCCC(C)C	2250494583	CDCLSUWYAZDPRM-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@]12CCC[C@H]1CC2	2251213648	ZMTYMNDDHOMHSQ-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCN[C@@H](C(C)(C)C)C1	2251261927	JVRDXCINRHSPLA-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1CC(C)(C[C@]2(N)CCC[C@H]3CCCC[C@@H]32)C1	2253653230	CFHVOIYMSOSJRH-QFDKOSDTSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(CC[C@@H]2CCCCC23CC3)C[C@@H](C)N1	2253858374	VPRDZKCVTILHJV-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2C(=O)C[C@H]3CC[C@H]2C3)C1	2253966339	URUQCELOIOBWSN-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](CC[C@@H]2CCC[C@@H](C)C2)CC1	2253993911	BCPXHNKMJVHBMK-ZCPGHIKRSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H]1CCNC2(CCCC2)C1	2254523145	RBMWGVRXUCCSEB-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@H]2C[C@@H]2C)c(C)c1	2254586041	NXOWZIRIKOGWBV-JLJPHGGASA-N	245.410	4.520	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2254955043	QYEXCWHVNHPYOY-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)c1ccc(O)c(CC2=CCCCC2)c1	2255177029	XUVDXBLTMJBPLO-CYBMUJFWSA-N	244.378	4.949	0	10	BJAE	
CN[C@@H](C[C@H]1CCCC12CC2)CC1(C)CCCC1	2255250717	YWNXHSXKEZYCJS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CCCC12CC2	2255328375	VOAVGNLFQXOIHU-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CCCC[C@@H]2F)c1	2257956984	OMCGJODUCGOFLE-LSDHHAIUSA-N	249.373	4.677	0	10	BJAE	
C[C@H](CNc1cc(C2CC2)ccc1F)C1CCC1	2259118510	NZLPJMIUCQDJTO-LLVKDONJSA-N	247.357	4.551	0	10	BJAE	
CC[C@](C)(CNC1CC1)C[C@@]12CCCC[C@H]1CC2	2260658975	SKPRVIFQNCWSFH-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CNC1CCC(=CC2CC(CC(C)(C)C)C2)CC1	2261300790	DTPAQSBQADYTSF-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCC[C@@H]1C[C@H]1C	2297876671	QADKLPBXIALFRR-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)C[C@@H]1C[C@H]1CCC	2297876899	RMEAJYPLOKEQOG-LVQVYYBASA-N	240.431	4.780	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H]1CCCC[C@@H]1CC	2300876463	GXVRLAXDRRPSQV-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](NC)[C@H](C)CC=C(C)CCCC(C)C	2300926807	PCXZFHBSOLJOOD-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CCC[C@H]1CC2)c1ccsc1	2301148165	RGVLABGGLMVERP-SGMGOOAPSA-N	248.391	4.537	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C1=CCCCCC1	2301951575	AZKOHLCGFUMYKP-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C[C@H](O)CC1CCCCC1	2301959137	QRAYFKAIPLOTEV-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1CC[C@@H]1C(C)(C)C	2303460859	FAOGNYVMDKWDNK-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H](C)CCC(C)C)CC1	2303468682	CQTOHBPCYTYKML-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC(C)C)C[C@@H]1CCC(C)=C(C)C1	2303577940	WDQZOBKTMIXASS-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](O)CCCC2CC2)C1	2304387711	PVPAORLWKNSUTE-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@H]1C[C@@H](F)C1	2307393267	XUJIHUICBGZXNR-MELADBBJSA-N	242.378	4.546	0	10	BJAE	
Clc1c(OCC2CCC2)ccc2ccccc12	2307639655	ZPCWWCYXWLWOPC-UHFFFAOYSA-N	246.737	4.672	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@](C)(F)C(C)(C)F	2307651628	FTTDAXFOTHHREK-ZIAGYGMSSA-N	249.389	4.541	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)C1CCCCC1	2307895702	WRMVVXDUCPRINL-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CC[C@H]1C(C)(C)C	2307902359	KSOMACJWWYEJMQ-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CCCC2(CC2)C1	2307911747	XSIMEHCRUYMOJC-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(C[C@@H]1C[C@H]1C1CCCCC1)C1CCC1	2311608434	JZDLGAHQPJJFJP-BHYGNILZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	2311615529	RLOAVUSYJUSIET-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1C)[C@]1(C)CC=C(C)CC1	2312520727	CULQLBDTCVWVMW-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCCc1ccccc1	2315940529	GEFXNHOHCOAQRZ-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
CCC(CC)CCC1CC2(C1)C[C@@H]1CC[C@H](C2)N1	2316273610	QCJJWHLOKJIDIX-HPZPOOBXSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCCCC1CC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316696847	IJELGKKDYXSPOI-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(C[C@@H]2CCCNC23CCCC3)CC1	2317001672	ASXZPQQSYPPBBJ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCCC[C@H](C[C@H]1C[C@H]2C=C[C@H]1CCC2)NC	2317158146	SKLCFZCHXZMCBE-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N1CCCCc2ccccc21	2318002336	WVGFPOBNUVWADX-CABCVRRESA-N	245.410	4.510	0	10	BJAE	
C[C@](O)(CCCC1=CCCCC1)C1CC2(CC2)C1	2318584256	YHDSSRDPFLNECR-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCC1=CCCCC1)C(C1CC1)C1CC1	2318586144	GFCAXDXDTJHTNT-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(N)CCCCC23CCC3)C1	2319031205	QOMMDBHYOYYWQZ-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CCCC[C@@H]2C2CC2)C1	2319046179	YNZDIVMOKUFWNX-YSVLISHTSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(N[C@@H]2CCCC[C@@H]3C[C@H]32)CCC1	2319328392	FQMSVGCEKKLPIC-DJIMGWMZSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCCC[C@H]3C[C@@H]32)C1	2319444722	XWTGMIJMHLXHDD-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H]1CC[C@H]1C(C)(C)C	2320198297	WMSLLOLDKXVAKR-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H]1CC[C@@H]1C(C)(C)C	2320210373	BNZMHSKENRJACY-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@@H]1CC[C@@H]1C(C)(C)C)c1cccc(N)c1	2320241749	WVEYCSFMCJQAJD-INWMFGNUSA-N	245.410	4.835	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)c1cccc(C(C)C)c1	2320520879	LLVMNHRNCVWSJT-YOEHRIQHSA-N	247.426	4.882	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(CN)CCCC23CC3)C1	2321640188	SFPMGMXFWDSLFD-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)CCC2CC2)c1F	2327807794	LQOQAODOTYDVCT-LBPRGKRZSA-N	249.373	4.940	0	10	BJAE	
CCCCC[C@H](C)Nc1cccc(SC)c1	20556966	ZFLFROYGYLSHKS-LBPRGKRZSA-N	237.412	4.789	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cccc(F)c2)cc1C	21511502	HUZICABBSDMIRH-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCC1CCC(N[C@H](C)c2ccccc2)CC1	21518464	HKAWACXKEWLPCL-HPUBIQBYSA-N	245.410	4.696	0	10	BJAE	
CCC[C@H](N[C@H]1CCC[C@H](C)C1)c1ccccc1	37249089	INDTZGVJOJSOOG-XIRDDKMYSA-N	245.410	4.696	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)[C@@H](C)C(C)C)cc1	70123026	HWFGLJSZQOMNRZ-ZQIUZPCESA-N	247.426	4.753	0	10	BJAE	
Cc1cc(OC(C)(C)C)ccc1C1CCCC1	75840647	JJQWNEITFTYDDX-UHFFFAOYSA-N	232.367	4.830	0	10	BJAE	
C1CCCC(N[C@@H]2CCC[C@@H](C3CC3)C2)CCC1	81623670	KQZXLFDTNFGLOC-NVXWUHKLSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCC[C@H](C2CC2)C1	81624266	OBQQDONNEKDFGJ-DZGCQCFKSA-N	247.357	4.515	0	10	BJAE	
CCCCCC[C@@H](C)Oc1ccc(C=O)c(C)c1	91873836	IQVNGEKKZGMFFG-CQSZACIVSA-N	248.366	4.545	0	10	BJAE	
CCCC[C@H](CC)CNc1ccccc1CC	110158946	PENKMOUQDMUKIO-AWEZNQCLSA-N	233.399	4.877	0	10	BJAE	
c1ccc(CCCCn2ccc3ccccc32)cc1	122411026	MSZYCHAAVIOKBM-UHFFFAOYSA-N	249.357	4.664	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C[C@H](C)CC	126783593	RAXYTMBHDGTVOD-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)NC2CCCCCC2)c1	132432575	OOFWFFFBLUBXFF-OAHLLOKOSA-N	245.410	4.677	0	10	BJAE	
CCCC[C@H](CC)CC(C)(C)CCNC1CC1	133962810	WRJQBPHTOINNNA-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](N)C[C@H](CC)CCCC	143423212	RTPWWZYEBIWIDH-ZIAGYGMSSA-N	213.409	4.501	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)[C@H](C)C2CC2)cc1	163401138	PFEUDOFRJGZXHR-GFCCVEGCSA-N	244.378	4.603	0	10	BJAE	
CCSc1ccccc1N[C@@H]1CCC[C@H]1CC	164042165	OEMCSTIHQBRSFL-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NC)[C@H](CCCC(C)C)C1	165493328	XWBZPMNJNMPNOH-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)Cc1[nH]c2ccc(F)cc2c1C(C)C	166053702	GMSONZZCESMZTQ-UHFFFAOYSA-N	233.330	4.629	0	10	BJAE	
CCCc1ccc([C@@H](N)C(CCC)CCC)cc1	211872322	VNWXHKUHCQGKHR-KRWDZBQOSA-N	247.426	4.855	0	10	BJAE	
C[C@@]1(c2ccc(-c3ccccc3)cc2)CCS1	212363279	FMUPRRDMISCLTM-INIZCTEOSA-N	240.371	4.706	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCCCC2(C)C)cc1F	226803484	KLTAGTSQNMQEEC-CYBMUJFWSA-N	248.341	4.533	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@H]1CCCCC1(C)C	226879501	SBHQEVYZVURVHS-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)c2ccc(C)cc2C)C1	227389986	ODDHXPLOIKFULP-HLLBOEOZSA-N	245.410	4.520	0	10	BJAE	
CCc1cccc([C@H](N)CC2CCCCCC2)c1	228858794	BRNUONBUPDNZHP-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cccc(N)c2C)cc1	232217183	FCBHCPPRQSLVFN-LBPRGKRZSA-N	239.362	4.758	0	10	BJAE	
CCCC1(CN[C@@H](C)c2cc(C)cc(C)c2)CC1	233027338	STTVNNJLORAMMS-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)c1coc(C)c1	233546778	PJTAASYYJWOOKX-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@@H]1CCCC[C@H]1CC	252895274	AEXRZTADBLGNCW-QXSJWSMHSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	253037049	IOAWWWCDJWDNSD-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCC(F)(F)c1cc(C(C)(C)C)ccc1C	258939659	CHFMBGXITVXYPQ-UHFFFAOYSA-N	226.310	4.794	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H](C)CC)NCCC	300893940	IAIKCQOHHPVATF-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cc(C)c(Cl)s1	300912298	KCSBMJNKMYOFLU-KWQFWETISA-N	245.819	4.536	0	10	BJAE	
CC(C)(C)CCCC(=O)CCC1CCCC1	300935854	VMUFZRMPAAMYIE-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCc2ccccc2N1	302309328	ONDNGVUOYUOGHW-AWEZNQCLSA-N	231.383	4.630	0	10	BJAE	
Cc1cccc(NC(C2CCC2)C2CCC2)c1F	302590666	GNMWRGKIYPJCQS-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
Fc1c(Cl)sc2c(C(F)F)cccc12	306891321	HHUORERELPRSQP-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1c(C)cc2sccc2c1Cl	307397021	UKYCVMNODRMZSU-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCCCCC(=O)c1ccccc1C(C)C	309348198	ZPHXFKAOCLAKCT-UHFFFAOYSA-N	218.340	4.573	0	10	BJAE	
CCC[C@H](CNCC)C[C@H](C)C1CCCCC1	310496411	PULDXJWSFFYBIU-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC1CCC(CC(=O)C(C)(C)C(C)(C)C)CC1	310533508	AAAGWZSKVJJFFZ-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCC[C@](CNC2CC2)(C2CCCCC2)C1	317609397	OWXJQIRGRSHOBA-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC(C)C)CCC[C@@H](CC)C1	317769782	SVLBFCIGCQSYNP-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)Oc1cc(C)c(N)cc1C(C)C	318835047	CNKKITYJWAPNFW-WCQYABFASA-N	249.398	4.514	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(CC)(CC)CNC(C)(C)C	319474088	WXHODAYGGUJBLH-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCc1cccc2ccn([C@H](C)[C@H](C)CC)c12	319704348	YGEBMRUHTQVCIM-CHWSQXEVSA-N	229.367	4.811	0	10	BJAE	
CC1(Cn2ccc3c(Cl)cccc32)CCCC1	380047519	ULQPMUXXIASTJX-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCC[C@@]1(C[C@H](C)C2CCCCC2)CCCN1	383678403	QCEGIWXVXOSLLN-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](N[C@H](C)CC(C)(C)C)c1ccsc1	395160512	ZSVBTAZLFVZPKY-YPMHNXCESA-N	239.428	4.614	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1ccc(Cl)s1	395237820	SKEFBECJYWZYSD-LLVKDONJSA-N	246.803	4.651	0	10	BJAE	
C[C@@H]1[C@@H](Nc2ccsc2Cl)CCC[C@H]1C	395629371	BIIKIENQILXDLW-UTLUCORTSA-N	243.803	4.638	0	10	BJAE	
CCc1cc2cc(C)c(C(F)F)cc2s1	396204468	VOWQUKQEJKPGPG-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCOc1c(C)sc2cccc(C(F)F)c12	396244759	OJSFLCWMCNLGJL-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
Cc1cc2c(C(F)(F)F)c(S)ccc2s1	396297491	HKFRBKZQFHXRQE-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCN[C@@H](CCC1CCC1)CC1CCCCC1	398738223	YDCXEEIFDFHNBT-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCC1CCCCC1)CCC1CCC1	398901907	IDBFBMZEFQFMAZ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C(=O)c1cccc2ccccc12)C(C)(C)C	399161917	LDTMCWFOYCASGC-GFCCVEGCSA-N	240.346	4.705	0	10	BJAE	
CCC(CC)[C@@H](C)NC[C@H]1CCCC[C@H]1CC	401969355	XVTUZCVWSAKTBD-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CC2	402129001	FDRHBLXVFMGSFS-MELADBBJSA-N	248.410	4.620	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNCCC(C)(C)CC)C1	686306827	GIKZMPWCWIYKII-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)c1cc(C)cc(C)c1	686312414	LRANTQOKBCDBBE-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)CC(C)(C)C	688357586	IXIDDORYIYMLJX-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1cccc(C2CC2)c1	690161725	ZBPAFDFUHJUSKJ-MLGOLLRUSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H](C)CC(C)(C)C	691155063	SPJXQIQSRPJMNY-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCC1CC2(CCC2)C1	691879657	FDDSLNHZQOPZLB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCCN[C@H]1CCC12CCCC2	693784874	JPLBBCSXQUOMIH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCNc1cc(Cl)ccc1C	696748225	ATHBEZFERLJHDU-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CCNC[C@@]1(CCC=C(C)C)CC[C@H](CC)C1	698032098	JFPAYTGNEVOWIU-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(NC2C(C)(C)CCC2(C)C)c(C)c1	699610272	RVDZOOSVOFYNLA-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
Cc1ccc(-c2ccc3sccc3c2)c(O)c1	699639751	BXZRPEINFBCTHH-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)C1CC(C)(C)C1	701462664	PJFMYLFGZWIKGZ-INIZCTEOSA-N	245.410	4.507	0	10	BJAE	
C[C@@H]1C[C@@H](NCC[C@@H]2CC=CCC2)CC(C)(C)C1	706868390	LPIMJESSJKDGEP-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](N)(CC)CCCCCC(C)C	707597167	LOXCUFKOFBWBPM-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H](C)CC(C)(C)C)cc1C	709277373	YGUGKLBPUJXYHG-AWEZNQCLSA-N	246.394	4.867	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1Nc1cccc(C2CC2)c1	709654906	QNELXAZRKJQQOS-IGCXYCKISA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC[C@H]1CCCC2(CC2)C1	709976202	NUAUFGBMNCGGOO-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC(=O)c1cccc(C)c1)C(C)(C)C	711182238	XNHYIVWIVBBPFQ-AWEZNQCLSA-N	232.367	4.640	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)(C)C)CC1(C)CC1	711214906	DSMYSSVMXKMNQE-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1N	713265938	QWFMOZBDJHXZQF-MELADBBJSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1	714298635	NLGGVZRMLWVRSJ-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CC(C)(C)CC[C@@H]1C	717535612	VBQTXAABTRBVCH-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1cc(C)cc(C)c1	718626604	VHGWKHHYXQSKEL-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CCC[C@@H](C)N[C@@H](CC)CC1CCCCC1	720953752	HYXGJVMFWBIJSA-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
CC1(C)CC(CNc2ccc3sccc3c2)C1	723597904	QZICMFVENSRDOL-UHFFFAOYSA-N	245.391	4.749	0	10	BJAE	
CCCCCN(C(C)C)[C@H](C)c1ccccc1	1194816792	IJIHYEOLHWNUCS-OAHLLOKOSA-N	233.399	4.648	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NCC2CCC=CCC2)C1	1203783506	UNEGAKAAVSJKCU-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)CCC(=O)Nc1cccc(C(C)C)c1	1348465158	DMBJVKAVAPJWMM-CYBMUJFWSA-N	247.382	4.575	0	10	BJAE	
CC(C)CCCCNCC1(C)CCC(C)CC1	1462185338	VBFICTPPLNODGU-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1ccccc1Cl	1905454900	VXSNYLBRXNNOJX-RISCZKNCSA-N	239.790	4.556	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@H]1C[C@H]1C(C)(C)C	1910707567	SAGOGRYXFVOHIY-TTZDDIAXSA-N	240.431	4.636	0	10	BJAE	
C=CC=CCC[C@H](N)C1CC(C)(C)CC(C)(C)C1	1911860887	YOQYFABIMAWJRD-HNNXBMFYSA-N	249.442	4.689	0	10	BJAE	
CCNC[C@@](C)(CC)CCC=Cc1ccccc1	1911869412	BZJPGDGWAUSSFV-KRWDZBQOSA-N	245.410	4.506	0	10	BJAE	
CC=CC[C@]1(CNC(C)C)CCC[C@H](CC)C1	1911940714	BFFSWQXLKJKVON-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CCC1(CO)CC2(CCCC2)C1	1912570534	CZJGLLMDNJBFSQ-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H]1CCC2(CCCCC2)C1	1915921498	CONFZSKXHNXGOS-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1[C@@H](O)C[C@@H](C)C[C@H]1C	1915996331	XWOVZVHDQHNBMK-NPJQDHAYSA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@@]1(CC2CCC(C)CC2)C=CCC1	1916377590	GBYDIWJUZJACNA-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CCCNC[C@]1(CC(CC)CC)C=CCCC1	1916561630	BGYLUWWWFOYCPP-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H]1CCC(F)(F)C1	1919973728	JCNXJXLVBBVYOC-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC(C)[C@@](N)(C[C@H](C)C(C)(C)C)c1ccccc1	1920486173	HCQLPSQIVFLGII-YOEHRIQHSA-N	247.426	4.569	0	10	BJAE	
CCC(CC)C[C@H](O)[C@@H](c1ccccc1)C(C)C	1921318356	CCJDWYVXYABRMS-DLBZAZTESA-N	248.410	4.613	0	10	BJAE	
CC(C)c1ccc(OCC[C@@H]2CC2(C)C)cc1	1921468812	HAIBFJOAKCPMEB-CQSZACIVSA-N	232.367	4.625	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)CCC2(CCCCC2)C1	1921540844	IVLZORZYIIBOQS-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@H]1C=CCCCC1	1925781126	PYVUKAZJRRTJPB-AWEZNQCLSA-N	232.367	4.583	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)[C@@H](C)C1CCC1	1925785384	IFRUHNSCQKINCI-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCN[C@@H]1CC(C)(C)CC[C@@H]1C	1926201568	VEAVDVOJOLUUAM-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CCCC1(C)CC1	1935941806	XRRWEXWEECTORK-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)[C@H](CC1(C)CCCCC1)NCC	1940412839	ATDJUGVHZYYEJB-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC[C@@H]1CC1(C)C)NC	1940880007	ZUXXCKBEYPRUBX-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C(C)(C)C1CC1	1941129444	SUMPDSSSZURXSQ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)NCC1(CCCCCC2CC2)CC1	1941600500	RPRYYYRPABODEA-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CCC(F)F)NCC	1942306740	IBXUOCNYKJVTMJ-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
C[C@H](C[C@H](N)C(C)(C)C1CCCC1)C(C)(C)C	1944643230	WFLKYLANCOXDCC-OCCSQVGLSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCCC2(C)CCCCC2)C1	1945432911	UJZAEIWXNBGNCM-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C(CCC)CCC)[C@H]1CC1(C)C	1945822326	GUWIMOJNGFTWJH-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(C)(C)Nc1nccc2ccsc12	1946974532	GSAOECUJMCRMJP-UHFFFAOYSA-N	248.395	4.533	0	10	BJAE	
CCCC[C@H](CCC1C[C@H](C)C[C@@H](C)C1)NC	1948423670	TTZXCRROQLCDSW-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC1CC2(CC2)C1)NCCC	1948661169	LWDPEROYUFZOON-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC=CCC1)CC(C)C	1948863249	LGYALNPKXHFAFC-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@](N)(CCC2=CCCCC2)CC1	1949042541	FFQUNAGOBHTHHK-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)([C@@H]2CCC2(C)C)CC1	1949065783	SDNQXTSZWMGBCK-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
O=C(CC1=CCCCCC1)CC1CCCCC1	1949924369	WJKWWVQLLWCPDJ-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@@H]2C=CCCC2)cc1	1962889573	JBQWHEUYQGXYKR-WMLDXEAASA-N	243.394	4.569	0	10	BJAE	
CC[C@@H](CNCc1ccccc1C(C)C)C(C)C	1963169520	TYTPCRDRDWJMCV-HNNXBMFYSA-N	247.426	4.582	0	10	BJAE	
C(CCC1CC1)CCN1CCC[C@H]1C1CCCC1	1966161185	PINCHFRBXNDRJI-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
c1cc(N[C@@H]2CCC3CC2C3)cc(C2CCC2)c1	1971536059	XVYXHAKLCRYECQ-MWHAMWOXSA-N	241.378	4.555	0	10	BJAE	
CC[C@@H](N[C@@H]1CC[C@H]2C[C@H]2CC1)C1CCCCC1	1973358066	IFKFFZPOADOWPV-LTIDMASMSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C[C@@H]1CCN1[C@@H]1CCC2(CCCC2)C1	1973455403	XUYPZQUKCLPKOZ-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CCCCC1CC(N[C@H](C)C23CCC(CC2)C3)C1	1973843919	HRPNRYKTDOXDTC-CWJHNBGESA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@H](C)C(=O)C1	1982770326	PJWFHSUWHOOBGB-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)Nc1ccccc1C1CCC1	1992087834	JLWMLKJUKMJHEQ-LBPRGKRZSA-N	217.356	4.555	0	10	BJAE	
CC1(C)CC[C@@H]1c1cc2cc(Cl)ccc2[nH]1	1994131274	RRNBNAACFNYINU-LLVKDONJSA-N	233.742	4.725	0	10	BJAE	
CCC[C@H]1CCCCN(C[C@@H](C)CC(C)C)C1	1995743172	FQJKUPZNLRYGKC-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
Cc1ccc2[nH]c(C3(C)CCCCC3)cc2c1	1995979790	GXZYWOBCAQDKMI-UHFFFAOYSA-N	227.351	4.698	0	10	BJAE	
CC[C@H]1CCC[C@H](CNCCCC(C)C)CC1	1997213941	HLDNVGSEWCOJTN-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@@H]1C=CCCC1	1998376638	FFMPGTSZRFAEBY-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC1(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)CCC1	2000194813	IICCICWKNCRXIY-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@H](C)C(C)(C)C	2000295322	GODTWTVJZNQZMZ-KCQAQPDRSA-N	236.399	4.620	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H]1CCCCCC1(F)F	2000763210	GREVGDRASIBDMX-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCCCN([C@@H](C)CC)[C@@H]1CCCC(C)(C)C1	2000907891	RTCPZHFPZFFFCN-LSDHHAIUSA-N	239.447	4.856	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C1CC(C(C)(C)C)C1	2002327029	QRIFSAWMDARTGO-HSBZDZAISA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@H]1CCC2(CC2)C1	2003189438	BZMCGLKOYZRIJS-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC1CC=CC1)c1cccs1	2003686172	SGVSMJVCUWECLI-AWEZNQCLSA-N	249.423	4.535	0	10	BJAE	
CC1(C)C[C@@H]1C[C@@H](N)C1(C)CCCCCCC1	2004922770	KIOJHDBRKYBDQV-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
Cc1cc([C@@H](C)Nc2ccc(CF)cc2)cs1	2007029407	ZYRIZMRQALDCKK-LLVKDONJSA-N	249.354	4.699	0	10	BJAE	
CCCN[C@@H](C(C)(C)C)C1(C)CCC(C)CC1	2007696204	YAJSQXGDLFHDHR-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CC1CC(C(C)C)C1	2007757908	AJXWICDSKYXBRD-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C=C2CCCCC2)CC1	2007969118	YAFALUMZGXXJOU-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CCC2(C)CC2)CC1	2009548886	ROBBKNFLRQSTAE-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@H](N)c1ccc(SCC)cc1	2009598509	OPHVPLOMKIJDCC-HNNXBMFYSA-N	249.423	4.545	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@@H](C)C[C@H]1NCCC	2009618595	DGVFPTPUHOZOFZ-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)C1=CC[C@@H](CC)CC1	2010714040	GNIZTAMUWDXZRA-LZWOXQAQSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC[C@@]12CCC[C@H]1C2	2011023590	ZPNKKMAXCSYFQJ-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](N2CCCCCCCCC2)C1	2013180656	LVYQNDQBBFXSJF-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@](C)(N)[C@@H]1CCC1(C)C	2014879694	FVHVFMNETATYFD-ZENOOKHLSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](O)c1ccc2sccc2c1	2015278388	NQZIUAQYFXQIAR-FZMZJTMJSA-N	248.391	4.617	0	10	BJAE	
CNC[C@]1(CC(C)=C(C)C)CCCCC1(C)C	2017462879	GCTUPSNXDFAWIZ-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@H]1CC[C@H](C)CC1	2017720300	GCKSDDAOFVDRIA-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(C)CC[C@H](O)C2)CC1	2017724551	GPPRABLBLZOUBR-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)C[C@H]1CC[C@H](C)CC1	2017739928	XYMAWCHBIFUVEW-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCCC1(C(=O)C[C@H]2CC[C@H](CC)CC2)CC1	2017773151	WEWPZFYSLHUEJY-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@H]1CC[C@H](CC)CC1	2017796522	GJCNVJFOOYJFRM-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@]12CCCC[C@H]1C2	2018577299	HNDYOLKSAPBUNB-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(N(C)[C@@H](C)CC(C)(C)C)CC1	2019171767	QZXKEJBJHOUUGN-NFOMZHRRSA-N	239.447	4.712	0	10	BJAE	
CCCCCCN1CCCC[C@@H]1C1CCCC1	2019292089	VIHJOBRCIJUYKL-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CC1(C[C@H]2CCCC(C)(C)[C@@H]2O)CCCCC1	2020406727	XHLNXPPPRSKASB-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC(=O)[C@H]1C[C@@H]1C1CCCCCC1	2022417277	KZKHTVRCZQWCLG-CABCVRRESA-N	234.383	4.518	0	10	BJAE	
CC1CC(c2cc3cc(C(C)C)ccc3[nH]2)C1	2024290454	RBSLNPNTTKWCEV-UHFFFAOYSA-N	227.351	4.805	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC(C)(C)C1(C)C	2025054066	KONYGQACDCUHPS-UONOGXRCSA-N	237.431	4.536	0	10	BJAE	
CCC(C)(CC)[C@H](N)Cc1ccccc1C(C)C	2027451173	QMFVSTISIJGVEZ-MRXNPFEDSA-N	247.426	4.506	0	10	BJAE	
CN[C@H](CCC1(C)CC1)c1ccc(C(C)C)cc1	2027732800	RJSRRZHROLWTTH-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
C[C@H](C[C@H]1CC2CCC1CC2)c1cccc(N)c1	2027955509	CJTRJLOFLJZXIU-WOICTCIZSA-N	243.394	4.589	0	10	BJAE	
CCN[C@@H](c1ccccc1C1CC1)[C@H](C)C(C)C	2028558865	ATRLBTJAVJMVBA-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CCc1ccccc1C(=O)CCCCCC1CC1	2028626330	SHBIWUFRYJNMCT-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCc1cc(NCCCCCC2CC2)ccc1C	2028627343	CBTOIUFPKDQCBZ-UHFFFAOYSA-N	245.410	4.940	0	10	BJAE	
O[C@@]1(C[C@@H]2CC=CCC2)CCCC12CCCCC2	2028875134	CYSRGZLRSUJCLC-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C2(C)CC(C)(C)C2)cc1	2029111374	FNFJFWIQUUXABE-OAHLLOKOSA-N	245.410	4.636	0	10	BJAE	
CC1(C)C[C@H]1CCNC1CCC2(CCCC2)CC1	2032432414	KFEMONBOHITUAC-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(CCCNC2(C3CCCCC3)CCC2)CC1	2033051686	YLXPONREEYVINB-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@@H]1CCC(C)(C)C1	2033392912	CLPCQCLSQXPHHS-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CC[C@@H]2CCCC[C@H]21	2034264613	RGBHDTOGLADWDI-JGGQBBKZSA-N	247.357	4.515	0	10	BJAE	
CN[C@H](CCC1CCCCC1)c1c(C)coc1C	2035533505	LGUZRTWIRGRJNG-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@@H]2C[C@@H]2C2CC2)CC1	2037128841	WLXJMBRAJQYMMN-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CCC1=CCCCC1	2037171004	AKGWDDCVFKACNR-YESZJQIVSA-N	249.442	4.811	0	10	BJAE	
CC1(CCC[C@]2(N)C[C@H]3CCCC[C@@]3(C)C2)CC1	2037175825	KTKWCPRJOMNBHS-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CCC1([C@H](N)[C@@H]2CCC3(CCCC3)C2)CCCC1	2037693297	WZNYJOMQFYMAOI-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(C)NC[C@H](C1=CCCCC1)[C@H]1CC[C@@H](C)C1	2037700769	GXACSKSTNYQRJK-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C=C1CCC2(CCNC2)CC1)CC(C)(C)C	2038432269	AVCLYACFEHHDJB-XPCCGILXSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC2CC2)CC12CCCCC2	2039006314	OLZXMDDTHIQRSM-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2CC3(CCC3)C2)CC1	2039379049	ZCAZGDZVMYUKEZ-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc([C@@H](O)[C@H]2CCCC(C)(C)CC2)c1	2039385032	KWVRSYGUPFTYGA-HOCLYGCPSA-N	246.394	4.635	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C2CC3(C2)CC(C)(C)C3)C1	2039417058	BOABLBZWCZHATD-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2c3ccccc3NC[C@@H]2C)C1	2040166088	MJAOEUCGOVRYMY-ORIJERBGSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@]1(N)CCCC2(CCCCC2)C1	2040765157	MOKDUWKUIRKQSW-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@H]1CCCC12CC2	2045308385	UBNUFYJWKJTYJA-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1CC[C@H]2C[C@@H]2C1	2045315592	VVLILDUSMFGZCK-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CC1CC2(CCC2)C1	2045682478	NAAHWIDZQUHIIE-CZUORRHYSA-N	246.394	4.518	0	10	BJAE	
CC(C)CC1(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCC1	2047349185	YKEXSDZKRXKFNU-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](CNCC2(C)CC=CC2)CC1	2047729064	MSMLNLPLFQDSGN-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC1(CN[C@@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2048381463	FLLGIJPNRLICJO-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)C1[C@H]2CCCCC[C@H]12)C1CCCCC1	2049173307	RHULXUKUUOKWFQ-QEJZJMRPSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@]1(CC2=CCCC2)CCCC(C)(C)C1	2049514582	JSAYDXGAVCNPBK-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
COc1cccc(NC2CCCCCCCC2)c1	2049673525	VMDZIKYQPAXQKX-UHFFFAOYSA-N	247.382	4.610	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1CC1CCC2(CC1)CC2	2049847325	APVPCHSGDOYZGP-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC2(CC1)CC2)C1CCC(N)CC1	2049849833	SYXQQRADKRCQMQ-JEYLPNPQSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C[C@@H]1CCCC2(CC2)C1	2049853348	DQBWEQXPCHMTJV-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CCC2(CC1)CC2)C1(CC)CC1	2049862681	YIXHKLDEQXOFGA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@]1(C)C=CCCC1	2050007260	PNVRTSZEDDPBEA-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1[C@H](O)CCCC[C@H]1CC1(C)C	2050439915	DJSCHIVBVGRUFF-GOEBONIOSA-N	246.394	4.635	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H]2CCCCC23CCC3)CCC1	2055548805	FKWUHFPVJUWUDU-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1CC(C2CCC2)C1	2056689891	PWFZNTWFFVCJER-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)C1(C(C)C)CCC1	2056880641	DFBHETDXDSROPA-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC2(C3CC3)CCCC2)CC1	2057603318	FPXRADWVNWLXEX-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC(N(C)[C@H]2CCC3(CCCC3)C2)C1	2058852095	KBKOYLBUVGJDOZ-FHERZECASA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2058991524	KNTPIVMCNJZZGN-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C1=CC[C@@H](C)CC1	2060914116	PRWNJRMVJQNVSU-JKIFEVAISA-N	247.426	4.587	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)C2CCC(C)(C)CC2)CC1	2061098536	JOSCWDIJQZPDJI-CZUORRHYSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@](N)(C2=CC[C@H](C(C)(C)C)CC2)C1	2061113847	SEROMJDXFXLXDG-SUMWQHHRSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)C(C)(C)C2CCC2)CC1	2061147713	PTLOWYJIOXNKIM-CJNGLKHVSA-N	249.442	4.523	0	10	BJAE	
CCCOc1ccccc1CC1CC(=C2CC2)C1	2061718292	JNLQRJHCGJNJSZ-UHFFFAOYSA-N	242.362	4.518	0	10	BJAE	
CCN[C@H](C1CC(=C2CCC2)C1)[C@H](C)CC(C)C	2061735207	WCZKGCQPODPURL-DYVFJYSZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNc1ccc(C2CCC2)cc1	2062645504	GBSCCWDFXGDKRO-CZUORRHYSA-N	243.394	4.802	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CCC[C@@H]1C[C@H]1C)C2	2062653934	WSTUSMKMSNJBOR-FVROTGDOSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(NCC[C@@H]2CC=CCC2)C1	2067984342	HRZPUGMYXQZYHO-QQFBHYJXSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C([C@](C)(N)[C@H]2CCC2(C)C)CC1	2068275811	JVYHCDQNODBFDV-QRTARXTBSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)c1ccc(CC)cc1	2068815757	CJSVIOUNTYVDQD-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@H]3CCCC[C@H]32)CCC1	2069278701	MNQCJLMZGADBKW-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC2(CC3CC3)CCC2)C1	2069496962	WOTCUMRYBUKRQJ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1CCC2(CC1)CC2	2070304391	NNZSYFBURUBXFQ-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H]1CNCCC1=CC1(C(C)(C)C)CCC1	2071952794	GOZOOAMXSFPTGF-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)c1ccccc1C1CCC1	2072093714	GECASYADJUVWCY-GXTWGEPZSA-N	242.362	4.573	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2C[C@]12CCCC[C@H]1C2	2074004103	QJYGKEKGBRGKKA-KEYYUXOJSA-N	241.378	4.556	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@@]12CCCC[C@H]1C2	2074030518	UEWWWPVVTWPGFC-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@]23CCCC[C@@H]2C3)C1	2074033081	IXQONTORYLQIQX-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@@]12CCCC[C@@H]1C2)CC1CCCCC1	2074051054	NNCDTLOBFSXDNA-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@]23CCCC[C@@H]2C3)CC1	2074091885	SQPORCTZGPEWDP-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CC=CCC23CCCC3)C1	2074905526	IWNIBNQNYYSPEV-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
CCN(C1CCCCCC1)[C@@H](C)c1ccccc1	2076548449	GHVMDXWUCXIAKP-HNNXBMFYSA-N	245.410	4.792	0	10	BJAE	
C[C@]1(F)C[C@H](CNc2ccccc2C2CCC2)C1	2077717679	SFIIOVNJORFHBB-YGUOUDRMSA-N	247.357	4.504	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)[C@H]1CCCCC12CC2	2079840958	FYSHSYHWYIPJBC-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(N)CC(C)(C)CC2(CC2)C1	2079886518	OWRVDSUZHUROKO-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H]1CC[C@H](CC)CC1	2080252515	PCMFHDNHLHZHPP-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CCC[C@@H]2C[C@@H]2C)c1	2082949508	WZFHJIOSYSDULJ-DZGCQCFKSA-N	244.378	4.621	0	10	BJAE	
CCCCCCN1CCC[C@H](CC=C(C)C)C1	2213181699	DACKYTRJDHLBRG-MRXNPFEDSA-N	237.431	4.635	0	10	BJAE	
CCC[C@H](N)CCC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213295389	YIGPFKWWYQVMAD-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CC(=O)c1cccc(SCCCCC2CC2)c1	2214570977	UMTNNOUHIWJUJR-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCCCC1CC1)NC	2214585146	TZTWEPADEPRJQS-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCSc1ccccc1NCC[C@@H]1C[C@@H]1CC	2215312612	LVEBFCWRGPGMKC-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2CCC[C@@H]2C)CC1	2215824548	UKCKSGSHDQAMQK-LZWOXQAQSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1CCC[C@@H]2CCCC[C@H]21	2218017969	OQHXEUWQJKZLGE-ZJIFWQFVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@H]1C[C@]1(N)CCCCC12CCCCC2	2220672278	LXKQZRNWQRENMW-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCC[C@@H]2CC2(C)C)CC1	2221645384	XQUWIDDAJIQZEN-RHSMWYFYSA-N	248.410	4.908	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)[C@H](CC(C)C)C(C)C	2222008663	ILENRFLEGROJMN-NVXWUHKLSA-N	247.426	4.622	0	10	BJAE	
C[C@@H]1C[C@@H]1CC(=O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222909741	GPGLPQVBDMTDBC-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CCCCCC(=O)Cc1ccc(C2CCC2)cc1	2223634091	FSDYRMGGEKLMND-UHFFFAOYSA-N	244.378	4.646	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1ccc(C2CCC2)cc1	2223681077	LGQMNRBCIDIASC-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
Cc1cc(CC2=CCCCC2)cc(C)c1Cl	2243248422	DYGPFDMXIDTINA-UHFFFAOYSA-N	234.770	5.000	0	10	BJAE	
CC(C)C[C@@](C)(N)CC[C@H]1CCCCC12CC2	2246619840	HOJUXKITRVNQLH-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)C(C)(C)CCF)C1	2246670333	VKTBMPZBMPKLRE-QWHCGFSZSA-N	242.378	4.548	0	10	BJAE	
CCCCCCC(=O)CC1CC2(CCCC2)C1	2246816584	VSFFURPFEKLQDU-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CSc1cccc(NCCCC[C@@H]2C[C@@H]2C)c1	2247091205	HBBBFZXIMSALEP-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC[C@@H]1CCCC12CC2	2247656503	RJPHWBSRYHDUDM-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cccc(C(F)F)c1	2250357943	YNMJOJLRDQHVRH-JTQLQIEISA-N	240.293	4.633	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1CCC=CCCC1	2250360664	YMMAOKWUNJXLMR-CABCVRRESA-N	236.399	4.908	0	10	BJAE	
CCC[C@H](CC)CN[C@H](CC)C1CCCCC1	2250390644	SOXDMNAUKCBTKO-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@@H]1CCCCC12CC2	2253805182	LNQXNYNWQVWFLL-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](N)CC[C@H]1CCCCC12CC2	2253883885	NPAAZMUTTFMFBE-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(N)(CCCCCCC1CC1)C2	2254137050	CRSCSEVHSWDPHK-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CC2=CCCCC2)CC1	2255047659	CSPYEADVAJEGPB-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CCC1(C(=O)CC[C@H]2CCCC23CC3)CCCC1	2255311810	WFWVZCIMCZZZGU-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCc1cccc(F)c1NCC1CCCCCC1	2256141076	DYVYOLAZGOHFFB-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
CCCc1ccc(C(=O)CCC[C@@H]2C[C@H]2C)cc1	2256231006	MZGQVVZQBRRUNZ-CZUORRHYSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1cccc(C(C)(C)C)c1	2257908847	UFHKXJMFUXYFHA-ZIAGYGMSSA-N	245.410	4.832	0	10	BJAE	
C[C@@H](CN(C)C1CCC=CCC1)C1CCCCC1	2257951200	SQCYORWJQGZJIN-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@]23CCC[C@@H]2CC3)CC1	2260504380	DTPZGYVECRSWMV-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC(C[C@](C)(N)C2CC=CC2)C1	2261261676	DFDLKOBHFGJAAA-KVULBXGLSA-N	249.442	4.523	0	10	BJAE	
C[C@H](CC1CC1)[C@@H]1CCCCCCCCC1=O	2298933392	QMLMNGAAXOHZRQ-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cc(C)ccc1C	2300682122	VZPIGUVMKJFVOS-MRXNPFEDSA-N	233.399	4.520	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1CCCCCCC1	2300682879	DCUIBFYMLOYQCU-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@]12CCCC[C@H]1CC2	2300684536	VQJFFCPZXRXTCK-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@H]1C[C@@H](O)CC2(CCC2)C1	2300686648	SWBXTCMHRDKXRG-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@](C)(CC)CNC1CCC1	2300701705	UAIVAQXCRFVCFL-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1C[C@H]1C1CCCC1	2300703843	KVGJUYKUPVZUHJ-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCCC[C@H]1CC	2300704511	RXQDYKLDIYCZIV-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H]1CC2)c1cccs1	2301141138	WDPJNUZKHHJNKL-AVGNSLFASA-N	248.391	4.537	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)CC1CCCCCC1	2301209908	GFBMIKPZZCXNTM-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
Oc1cccc(-c2cc(C3CC3)ccc2Cl)c1	2301333257	LYNOFJPLFQAVSQ-UHFFFAOYSA-N	244.721	4.590	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)[C@H](C)C(C)C	2301962402	SSPGNRYYBKVJRD-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@H]1CC(C)(C)[C@H]1C	2302149618	BOKSRKPMEIWIML-AJNGGQMLSA-N	239.447	4.602	0	10	BJAE	
CC1CCC(c2nc(CC3CCC3)cs2)CC1	2302255501	YLYPIRLQAQUVGE-UHFFFAOYSA-N	249.423	4.779	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@@H]2C[C@@H]3CCC[C@@H]32)n1	2302261882	GGLRIMKIEJTENY-NNYUYHANSA-N	247.407	4.560	0	10	BJAE	
CC1=C(C)C[C@](N)(CC2CCCCCC2)CC1	2303584278	QXMCBVDPGWBUEV-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)C[C@H](O)CC[C@H]1CCC(C)(C)C1	2304353078	XWEHODXEQYSVTH-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCNC[C@@](C)(CC)CC[C@H]1CCC(C)(C)C1	2304428024	IYLRNQJMIDVBAO-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CC[C@@H]2CCCC[C@H]21	2307828114	FNVQWHUQFCCLHC-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(CNC(C)C)C(C)C	2307831227	IYGZQGYBTQAQMK-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC[C@@H]1CC1(C)C)NC	2307905201	WAMSKPRRUAFLCV-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)CC1CC2(CCC2)C1	2307906051	BKABPWKJRYASMI-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CNC(C)C)C1CCC1	2307928572	MYUHJDKDTXURKJ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1CCC[C@@H]2C[C@H]12	2309964321	MJXPZOJFBZKBIC-BFYDXBDKSA-N	246.394	4.662	0	10	BJAE	
C[C@@](N)(CC[C@@]12CCC[C@@H]1C2)CC1CCCCC1	2310381619	JSNBJWDQAPURDY-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC1([C@@H](N)C[C@@]23CCC[C@@H]2C3)CCCCCCC1	2310891739	UKHWJKHFPAMVCH-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)C[C@@]23CCCC[C@@H]2C3)C1	2311160183	XPJNYWSRGMZTPE-KSWRQPAISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312933922	PFOPSNUWJJSSMK-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)[C@@]23CCCC[C@@H]2CC3)C1	2313312774	YFJHAHOCPDTLFA-LJIGWXMPSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313323592	FIUXYNNKBDIXKI-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(C(=O)C(C)(C)C(C)(C)C)ccc1C	2314700577	VJMITAFGPAGEHC-UHFFFAOYSA-N	246.394	4.812	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CCC23CCC(CC2)CC3)N1	2315473901	QRILTBKZOYJPLM-GMRIPVOYSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1(CC2CC2)CCC1	2316502339	KTCYPYDOCKDFLS-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316879863	HFNDLIYHDKXUTO-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
NC[C@@H]1CCC2(CCC2)[C@H]1CC1CCCCCC1	2317004305	ZIGWMBDSHQWPNN-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CC[C@@H]1C1CCC1	2318544022	UUDFPUCNKJJIKK-IAGOWNOFSA-N	247.426	4.565	0	10	BJAE	
C[C@@]1(CCC[C@H]2CCCCC23CC3)CCCCN1	2318840961	IUBFTFXHOSTMPH-CVEARBPZSA-N	249.442	4.659	0	10	BJAE	
NC1(CC[C@@H]2C[C@H]2C2CCCCC2)CCCCC1	2318867130	OVAPYNNTHVFJMK-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC[C@H]1CC[C@H]1C1CC1)c1ccc(N)cc1	2319752580	YVDXYUPFWYYCGR-HACGYAERSA-N	243.394	4.589	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)C[C@]12CCC[C@H]1C2	2320227442	ZGFYOQXXSCUGGA-YOKBYHGQSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCC[C@H]2C(C)C)CC1	2320341332	TVWWKIRJMPIZGZ-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CN2CC[C@H]2CC(C)(C)C)CC1	2320346443	FKARUMWKUHTGDB-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@H]2CC[C@H](C)CC2)CC1	2320409918	ZKEKCPINAGEVIF-BASLNEPJSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2CCCC2(C)C)CC1	2320421615	CFKCIGDEYOFYDU-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H](C)C2CCCC2)CC1	2320425218	VWWKYEAVMKPNNH-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@H]2CCCC23CC3)C1	2321602558	IWMORUMLAQVUAH-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@H]2C=CCCC2(C)C)C1	2321607753	IKPOHTQRYUCLBR-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1	21505436	LPFAJYYZGLVCFO-KGLIPLIRSA-N	247.426	4.823	0	10	BJAE	
CCCN[C@H](c1cc(C)ccc1C)C1CCCC1	35581693	BWUDTLIJBAWWBU-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](CC)c1cccs1	36792007	IZDALKNCYFKFJK-CHWSQXEVSA-N	239.428	4.758	0	10	BJAE	
CCCC[C@@H](N[C@@H](C)C(C)C)c1ccccc1	37249728	SZHPQOQGPJSKNC-GOEBONIOSA-N	233.399	4.552	0	10	BJAE	
CCC(=O)c1cccc(-c2ccc(C)cc2C)c1	38071756	GTASKWDDJZQWCA-UHFFFAOYSA-N	238.330	4.563	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(SC)cc1	68985366	BSHWRLAEYWIRGN-GFCCVEGCSA-N	237.412	4.789	0	10	BJAE	
CCc1cccc(NC2CCC(C)(C)CC2)c1	79619976	MNQYGGMHNFWNSZ-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CC(C)c1cccc(Nc2ccccc2)c1	80434886	HGPGHEGQPUAGHX-UHFFFAOYSA-N	211.308	4.554	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)CC(C)C	82441834	VJIJYWWRWVHPSK-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](CC)c1cccs1	82631385	ACGJMKNWTOUDOV-DGCLKSJQSA-N	239.428	4.614	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NC(CC)CC)CC1	83437187	SLABXVHCIYDKPI-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
C[C@H]1CCC[C@H]1Nc1c(Cl)cccc1Cl	83847767	MCLJGJLFDFXESW-GZMMTYOYSA-N	244.165	4.594	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(C)c(F)c2)CC1	86893955	XVBYCVLOHXRDHE-KGLIPLIRSA-N	249.373	4.905	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCC[C@H](C(C)(C)C)CC1	89556679	HXTCHGQYPHXBCN-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CO)c1ccc(C)cc1	93142586	VUPCJBKIDULWLO-DOTOQJQBSA-N	248.410	4.677	0	10	BJAE	
FC(F)(F)c1cccc(/C=C\c2ccccc2)c1	98175093	RYVAQRLBGMKGSE-KTKRTIGZSA-N	248.247	4.876	0	10	BJAE	
C/C=C\C[C@H](C)c1cc(C)c(C)cc1F	107566892	SQDNQHQFVQEKBY-OMMCCPJFSA-N	206.304	4.512	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H](C)c1cc(C)c(C)cc1C	109927725	VOOINQDREJEUIQ-UVBJJODRSA-N	247.426	4.697	0	10	BJAE	
Cc1ccc(NCCC2CCCCC2)c(F)c1	125037204	XQSCCMIGDKJSSE-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCC(CC)C[C@H](N)CC1CCCCCC1	133435231	XPOOYUNVGYLNSC-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCCCC2CC2)CC1	161489157	TXFSWFYGMZXQMM-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)c1cc(C)cc(C)c1	162250222	NJMBPBJLUIQLIK-CXAGYDPISA-N	247.426	4.780	0	10	BJAE	
CCCCCCC(=O)c1cc(F)ccc1Cl	164574077	SRBQTHAFZSYLTJ-UHFFFAOYSA-N	242.721	4.632	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1ccc(C)cc1F	165781546	OAQKPGULSDAHMH-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
CC(=C(F)F)c1ccc(CC(C)C)cc1	196693793	JSVPKGWQHALWAG-UHFFFAOYSA-N	210.267	4.513	0	10	BJAE	
Cc1ccccc1[C@H](C)Nc1c(C)cccc1F	224938673	SBEVSVOKRAQYNT-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1CCC[C@@H](C)C1	227574893	UEZSYUWNLXRKMT-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C1CCC(NCC=C(C)C)CC1	228868970	QVZIROZMNCHYND-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@@H](C)C(C)(C)C	229153997	YIBYAMCXEXSCTR-HIFRSBDPSA-N	241.463	4.863	0	10	BJAE	
C[C@H](C[C@@H](O)CCC(C)(C)C)CC(C)(C)C	229340712	ZHSKIKGPYYTYGP-OLZOCXBDSA-N	228.420	4.636	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@H]1NC1CCCCCCC1	235586462	TVBHIKQIEIYMLQ-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)C[C@@H](C)CC[C@H]1C(C)C	251396336	ZAOFFYKSFPRUCG-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@H]1CC(C)=C[C@@H](C)C1	300079355	TXMXJPUVZKQCOO-DZUCGIPZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H]2CNc3c(Cl)cccc32)C1	300261712	ORSXEZCXFWHANA-NQBHXWOUSA-N	249.785	4.675	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H](c1ccccc1)[C@H](C)CC	300460400	AJQISFKUFRIGCG-IJEWVQPXSA-N	246.394	4.822	0	10	BJAE	
CCCC(O)(CCC)CCCC(C)(C)C	300778691	AXHLZNJKMHZBSG-UHFFFAOYSA-N	214.393	4.534	0	10	BJAE	
CCN[C@@H](c1cc(C)cc(C)c1)[C@@H](C)CC(C)C	302545891	JAXKPEPMZWUTOK-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CC[C@](N)(CCC1CCCCC1)c1ccccc1	305897301	PACZOMNYDWAIMQ-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
CN[C@@H](CCCCC1CCCCC1)C(C)(C)C	305983083	RQCRUNFVFMECES-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CSc1cc(Cl)cc2cc(Cl)sc12	306862845	IZAXSAHCOWRNSO-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CSc1sc2ccc(Cl)cc2c1C	306990834	UJEFLJRFVFZGLK-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C(C)(C)C(C)(C)C	310548429	FOWJLHXRUKVBGW-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC(C)c1ccccc1C1(O)CCC(C)(C)CC1	311058778	JLZKNAFNQUCZAA-UHFFFAOYSA-N	246.394	4.598	0	10	BJAE	
CCCCCC1(CNCC)CCCCCC1	317009778	MQKZJSUADMVUMA-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
C[C@H](CC(=O)CC1=CCCCC1)c1ccccc1	385087959	FWAVDQKZBVDPOV-CQSZACIVSA-N	242.362	4.640	0	10	BJAE	
CC[C@@H](NCC1(CC)CCC1)C1CCCCC1	393828870	JOKCTCQKCTZQAE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@H](C)C1)c1ccoc1	394129634	KTHCVPKGWCBIOZ-OFQRWUPVSA-N	249.398	4.537	0	10	BJAE	
CSc1cc(C(F)F)cc2cc(F)sc12	396259942	YKMCABPOJNGBRW-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC(C)[C@]1(C)C[C@H]1Nc1ccc2ccccc2c1	397231722	RJFQASXBNKAXPE-SJORKVTESA-N	239.362	4.686	0	10	BJAE	
CCCC[C@H](CC)C[C@@](O)(CC)[C@H]1CC1(C)C	397632413	VXKUVKYWQGTPQM-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)c(C)c1)[C@@H]1CC1(C)C	397634299	VOLJWBCGXNIEKV-JKSUJKDBSA-N	245.410	4.930	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@H](C)C1CCC1	398614375	LOGNIOBEOYSLCJ-NUEKZKHPSA-N	240.431	4.636	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@H]1C[C@@H]1CC=CCC1	402362530	PSPGWYLVJFIJEY-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCSc1cccc(NC[C@@H]2CC=CCC2)c1	689704499	JLGFJYJZKWMWAI-CYBMUJFWSA-N	247.407	4.567	0	10	BJAE	
Cc1c(Cl)cc(NCCC2CC2)cc1Cl	690282170	IQYMEMZUQAPPMS-UHFFFAOYSA-N	244.165	4.514	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cccc(C(C)(C)C)c1	691696221	HDDHOEOEPCKOBS-GFCCVEGCSA-N	232.367	4.603	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC2CCC3(CC2)CC3)C1	695702139	YIOJTOCXFWQFGM-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC)[C@H](CCC(C)(C)CC)C1	696798289	AOOCGEPIZNCACU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C[C@H](C)CC(C)(C)C	697759043	PCACWADLDIWDJS-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@]1(C)CC1(C)C	702187372	PRSYJJTUVUBXSH-DOMZBBRYSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CCC1CCCC1	704825686	LTRGCLURGHIPRZ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2CCCC23CC3)cc1	706593037	AOSINKPSVXFCOG-CJNGLKHVSA-N	243.394	4.945	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CCCC(C)C	707645231	XZXRQJVKYMIBOQ-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@@H](C)CC(C)(C)C	708282378	NTBNUVFAFIKQNP-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CC[C@](C)(C[C@@H](C)CC(C)(C)C)C1	709195343	ZSKUGBIKSIXUKR-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@H](N)c1cc(C)ccc1C)C(C)(C)C	711054354	OZHZYGZMRBZKQG-ZBFHGGJFSA-N	247.426	4.766	0	10	BJAE	
CC[C@@H](C[C@H](N)C1CCCCCC1)C(C)(C)C	711113212	NDZUXIRTVIBTNZ-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@@H]1CCc2ccccc2C1=O)C(C)(C)C	711206719	GXWBYSANDLZHMY-OCCSQVGLSA-N	244.378	4.504	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CC[C@@H](C)c2ccccc21	713169147	NBCVFRBTPMUTHQ-DYVFJYSZSA-N	246.394	4.598	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCC[C@@H](C(C)C)CC1	713170237	SCSBKJLCHITEAJ-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C)(C)CNc1cccc2ccsc12	713262043	ATVHPQZWXSBQLY-UHFFFAOYSA-N	247.407	4.995	0	10	BJAE	
C=C/C=C\CC[C@@H](NCC)c1csc(C)c1C	713702702	PBVMJNJGSLPWKS-ZPIQOJFGSA-N	249.423	4.538	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1csc(Cl)c1	718626964	OCNJDOXMBVERJF-NSHDSACASA-N	244.787	4.571	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCCCCC1CC1	719215245	SBCUWCXGNROESZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1c(C)sc(C)c1C	722499681	ZLBNKHYPXULAAH-XPTSAGLGSA-N	240.412	4.533	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2CC(C)(C)C2)CC1	723575108	CVHUUBDRZXNPKA-MQMHXKEQSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](N[C@@H](C1CCCCC1)C1CC1)C1CCC1	724000676	RBDKPWHNXGTSNJ-IRXDYDNUSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@@H]1CCCCC1(C)C	1171917231	VDZNETMKDWHLCF-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C1CCC(SCCCC2CCC2)CC1	1613317754	UTEOCTHULPVEPT-UHFFFAOYSA-N	212.402	4.633	0	10	BJAE	
CC(=CC[C@H](N)C(C)(C)C)CCCC(C)C	1900843849	YCDPMIAZOOKBOE-AWEZNQCLSA-N	225.420	4.523	0	10	BJAE	
CCCC[C@H](CCC=C(C)CC)NCCC	1900878754	SJVIOWDZGIEPQA-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CCC(CC)c1nc([C@H]2CC23CCC3)cs1	1903454048	QRPLCKJBUCMURH-LLVKDONJSA-N	235.396	4.704	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC1(N)CCCCCCCC1	1908569790	GFXARGOPKFBRPC-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)CCC(C)(C)C	1908572455	OVCWEIUVTXWMTO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@@H]1CC(C)(C)CC[C@@H]1CNCC	1912084390	HTOIAHPEZHWVPV-HZPDHXFCSA-N	249.442	4.561	0	10	BJAE	
O=C1CCCCCCCC[C@H]1CCC1CCC1	1913414558	MWLVQWATYGLVCT-HNNXBMFYSA-N	236.399	4.886	0	10	BJAE	
CC(C)(CN[C@@H]1CCC2(CCCCC2)C1)C1CC1	1915867847	UPRKKBFKNSIYTN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCC2(CCCCC2)C1	1915902997	SDIXLIYOBWNLLP-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC1(C)CC(CN[C@H]2CCC3(CCCC3)C2)C1	1916434424	JUSOBMANUVLSOJ-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCC2(CCCC2)C1)C1CCC1	1916446369	XWLCMZVELNTXTH-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC[C@@H]1CC1(C)C	1921469670	MGIXSQUYTQRSER-OAHLLOKOSA-N	246.394	4.933	0	10	BJAE	
CCCC1CCC(N)(CC[C@H]2CC2(C)C)CC1	1921541858	UBKDJYPLCWUQAB-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](CC[C@H]2C=CCCCC2)C[C@@H](C)O1	1925875755	YDTHERGLEIYIKH-XUWVNRHRSA-N	236.399	4.717	0	10	BJAE	
Cc1cccc(NC[C@@H]2C=CCCCC2)c1Cl	1925918212	RSGDJGMCYQNHOM-CYBMUJFWSA-N	249.785	4.807	0	10	BJAE	
CCCCCC[C@H](O)CCC[C@H]1CC1(C)C	1935926407	ZAOMZWPHQGVBFW-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(C(=O)[C@H](CC(C)C)C(C)C)s1	1936212770	RBLXJPLWVGPJAE-GFCCVEGCSA-N	238.396	4.558	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(O)CCCC(C)(C)CC1	1940168308	XYURSITUYPXOBC-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)NCC(C)(C)C1CCCCC1	1940763524	SKKXDWBRRUTJAO-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@H](CC(C)C)C(C)C	1941265804	YJJILAFPNFJFDM-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H]1CCCC2(CC2)C1	1942656282	CIENAFKTFCZUEG-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](NC[C@]1(C)C=CCCC1)c1ccsc1	1943134422	QXCCZGAAQYZKIS-LSDHHAIUSA-N	249.423	4.535	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CCC(C)(C)C1	1945582215	LFBAPPTZABXIJE-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cccc(F)c1C	1947460773	LDLMGNVWUXVRSP-WFASDCNBSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H](CC(F)F)CC1(O)CCCCCCC1	1947531413	GAPSWKRLQYACGE-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(O)CCCCCCC1	1947547748	SHEVPBDYPSRAPG-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
OC1(C2CCCCC2)CCCCCCCCC1	1947878233	GFLLSJRRXSSSGK-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CC1(C)CC[C@@H]1C1(O)CCCCCCCCC1	1947879556	CMNOUGUUPOWJBI-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCC1(C)CC(CO)(C[C@@H](C)CC(C)(C)C)C1	1948409017	KYWUFMNFMGSIOQ-JEYLPNPQSA-N	240.431	4.638	0	10	BJAE	
CCCC[C@@H](CCC(C)(C)C(F)F)NCCC	1948425741	QBLGRPFNDJSPHC-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC1(CCC[C@@H](N)C2(C)CCCCCC2)CC1	1949053522	GVQCZAWQDQJAEH-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
Cc1cc([C@H](C)NCCCCCC2CC2)c(C)o1	1966178468	OTKFGULRFBGPNW-ZDUSSCGKSA-N	249.398	4.517	0	10	BJAE	
C[C@@H](CN1CC=CCC12CCCCC2)C(C)(C)C	1966511426	KTJBBOYMXBDYSS-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CCc1ccccc1N[C@H]1CCCCC12CCC2	1968360473	SISVOAKFNCFMOT-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1NC1CCC2(CCC2)CC1	1973043738	RAVFJZBPBQWINZ-GOEBONIOSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)C(=O)CCCCCC(C)C	1976003799	QQWJHVCZGZWGBO-UHFFFAOYSA-N	226.404	4.988	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H]1CCCC(C)(C)C1	1980273334	CTLOBEDRCOWPGA-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCC[C@@H](O)c1ccccc1Cl	1980682306	TZXZFEFNQPSJQY-CQSZACIVSA-N	240.774	4.590	0	10	BJAE	
CC(C)CC[C@@H](N)C1(C)CCCCCCC1	1981416838	TVLJBFFHCMJXAJ-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC=CCCCC[C@@H](CC(C)C)NCCC	1984633627	YMOHCXAETUGPHL-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)CCC[C@H]1C[C@H]1C	1985886971	ADLHESWWPFGJLZ-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCCCC(C)(C)NCCCCCC(C)C	1987106399	VETNLRQKXPYNND-UHFFFAOYSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@]1(C)CC=CCC1	1997606977	QSGUGGSCHXSHRZ-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@H]1C=CCCC1	1998377991	PZJJCJRUBROEKE-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1NC[C@H](C)C[C@@H]1C	1998568643	RPGMGOGJXYKACM-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(C(=O)[C@H]2CCCC(C)(C)C2)C1	2000108346	YREZFLSKJWUORQ-FUJMWEONSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(CN[C@@H](C)C(C)(C)CC)CC1	2002884462	RTNHMFOALLDZMY-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@H](N)CCC[C@H]2CC2(C)C)CCCC1	2003178250	ACSHVZSTZXWTAR-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@]1(C)C=CCCC1	2003320810	KDEXNENZKFTPKM-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C1(C)CCCCCCC1	2004942246	QKOFJGYNLSBOGN-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CO)CCCC12CC2	2005572019	LJEBKPRKEPBHEU-GDBMZVCRSA-N	238.415	4.536	0	10	BJAE	
CCCC[C@]1(CNCCC)CCCCC1(C)C	2005593787	CHWOPDSVHXHGAH-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC[C@](C)(CNC(C)C)CC1CC(CC)C1	2007753810	JBFPOBKUXXOORB-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@@H](C)C(C)(C)C	2007948244	TYKGERRABLSQCT-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)CC[C@H]1CCCC(C)C	2009408676	VVMCPGXJORPPGX-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]1CCC(C)(C)CC[C@@H]1CCC(C)C	2009411051	NAZIZYATPUWABP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H]1N[C@@H](C)C[C@@H]1C1(C)CCCCC1	2009766727	AXASLAPJCZUXID-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCc1ccccc1CC1CC(=C2CCC2)C1	2011087910	RXVLAKXJQYBXGD-UHFFFAOYSA-N	226.363	4.682	0	10	BJAE	
CCC[C@@H](C)C(=O)CC1CC2(C1)CC(C)(C)C2	2011846204	SSOBYYGUFDTCKS-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC(C)(C)C[C@@H]1C	2013323190	UQCZIMJKQMIBRQ-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CC(C)C(CC[C@@H](N)CCCC1CC1)C(C)C	2015357875	NXKOPVVCYUEFPC-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CC(C)CNC[C@H](CC(C)C)C[C@@H](C)C(C)C	2015403131	XPMFKVSQWLHSGB-HZPDHXFCSA-N	241.463	4.577	0	10	BJAE	
CCCC1(CN(C)C2(C)CCCCC2)CCC1	2015597970	NOYXSKPKPOUXBC-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
Cc1cc(C)c(C(=O)C2(CC3CC3)CCC2)s1	2015715617	BOHJYALPBBVXFR-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@@H]1C1CCC1	2017045723	BQSIBZYORQFFOA-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@H](O)C2CCCC2)CC1	2017649665	YJKSXMDCTXOBSO-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(N)[C@H](C)CC)CC1	2017727745	CWMPPXRJKIWKNT-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1CCC=CCC1	2018135880	DWJNDOJGDGNHPK-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C)CN(C)[C@@H]1CCCC(C)(C)CC1	2019289465	BITPGTZRVHECKA-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H]1CCCN(CCC(C)(C)CC)CC1	2019378138	VIDRULQQBCQNAU-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
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CCC[C@@H](CC(C)C)[C@@H](C=C1CCC1)NCC	2022672995	OMVOFPWOYUDDEP-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
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CCCN[C@@H]1CC(C)(C)C[C@@H]1C[C@H](C)CCC	2023609040	DROFOQOILFTQNY-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(=O)[C@@H](C[C@H]2CCC=CCCC2)C1	2023625836	YBFRVYPNPYRIQL-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](C[C@H]1CCC[C@@H](C)C1=O)C1CCCCC1	2023992917	ARCLKYYJYHJGNE-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(C[C@H]1CCCC(C)(C)C1)C1CCC1	2024094942	NULJQFOEYZWCEY-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@H]2C=CCCCCC2)CC1	2026930182	RDYQXDGMFOSHQT-ULQDDVLXSA-N	249.442	4.680	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CCC=Cc1ccccc1	2027026220	ASBWSJKKROGCGJ-INIZCTEOSA-N	246.394	4.667	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)C1CC2(CCC2)C1	2027314577	RHVLOKCPXKYABX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)c1ccccc1C(C)C	2027517139	DDGNTUGENCTHJU-WMLDXEAASA-N	247.426	4.882	0	10	BJAE	
CN[C@H](C[C@@H]1CC1(C)C)c1ccccc1C(C)C	2027517320	FZOYFOXXZZTUSY-CZUORRHYSA-N	245.410	4.507	0	10	BJAE	
CCCc1cccc([C@@H](NC)[C@H](CC)C(C)C)c1	2028260099	CBJMDPNWDNHANP-IAGOWNOFSA-N	247.426	4.582	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1ccccc1C1CCC1	2029079561	XYBFHUAHFKSTNJ-GDZNZVCISA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(N)CCC3(CCC3)CC2)C1	2032251041	IOAJCHBRHSLXMG-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C[C@H]2CC2(C)C)cc1	2032366815	WDCADORMRZDMQG-VBNZEHGJSA-N	246.394	4.670	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@H]2CC[C@H](F)C2)cc1	2032938812	KASOLAQAYNZEJX-DOMZBBRYSA-N	248.341	4.521	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H]1CCC[C@H](CC)C1	2033810249	HHDMGIJWEMGRSH-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC[C@@H](C)c1ccccc1)NCC	2036497815	UWGKTGIRDWPQMG-WBVHZDCISA-N	247.426	4.739	0	10	BJAE	
CN(CC1CCCC1)[C@@H]1CCC2(CCCCC2)C1	2036770633	GGSBSNDWAMZZKI-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CCC1=CCCCC1	2037174783	OLHGJZHNUPTKHH-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CN[C@@H]1C[C@@H](CCC2=CCCCC2)CCC1(C)C	2037870905	MUDNTQJIBCOMCL-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1[C@H]1CCC(C)(C)C(=O)C1	2037878036	ZAMNWZBSRIMWEY-AWEZNQCLSA-N	244.378	4.502	0	10	BJAE	
O=C(CCCCCC1CC1)CC12CCC(CC1)C2	2039421616	RKDKVDVBIMQAPO-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](C[C@H](C)C1CCCCC1)C1(C)CC=CC1	2042020181	VHDNOTNAVGNEEP-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC(C)CNC[C@]1(CC2(C)CCC2)CC=CCC1	2042098616	KAKRCNJYPCUVSA-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)CCCC(=O)c1ccccc1C1CC1	2042278245	LBQQXYDNAFISMS-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC(C)(CNC1(C2CC2)CCCC1)C1CCCC1	2042936412	WDGKVVBFYZFVFK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC1CCC2(CC1)CC2	2043188095	QXCJMZSMOAWTBB-CQSZACIVSA-N	247.426	4.578	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@H]1CCC2(CCC2)C1	2043615302	MAPFDULOWDBNIP-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](N[C@@H]1CC[C@@H]1CC)c1ccccc1	2043706109	YACGKPQXURFRNV-BHYGNILZSA-N	245.410	4.696	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@@H]1CCC=CCCC1	2045316257	CEGRUCCGFGCKKH-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)[C@@H]2CCCC3(CCC3)C2)C1	2045519856	LCJGSIYKJKVNCR-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CCN(CC1(C)CCCCC1)c1cccc(C)c1	2046570228	FHTOAFDULQKFAM-UHFFFAOYSA-N	245.410	4.792	0	10	BJAE	
CCN[C@H](C[C@@H]1CC12CCCCC2)CC1(C)CC1	2047015878	LPDLZFXSXRYJLO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@H]1CCC12CCC2	2047929418	QPUYGIDADSTYIR-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(C(=O)[C@@H]2CCCC(C)(C)C2)c1	2049516765	BSZYHZVMBNWGQN-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
C1CCCCC(NCC[C@@H]2C[C@@H]2C2CC2)CCC1	2049681850	QAEIDGIEMOMIHZ-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(N)(C[C@H]2CCCC3(CC3)C2)CC1	2049852462	DWWOTTPNGSCYHN-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2CCC3(CC3)C2)C1	2049863158	GUIAQFCWUATCBU-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC(C)(C)C1)[C@]1(C)C=CCC1	2049993138	UIMBNZBVULZCDR-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC[C@H](C)CC(C)C)c1ccccc1C	2050461160	QWSVTEJIEXDYGR-YOEHRIQHSA-N	247.426	4.718	0	10	BJAE	
CCC1CCC(C[C@@H](N)c2cccc(C)c2)CC1	2050463317	HLWHERZXMIOTEG-VMBOVVBDSA-N	245.410	4.601	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@@H](C)C2(C)CCC2)c1	2052332371	SKWIGTSOECQMCY-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@@H]1CCCCC12CC2	2053419456	FPQQDEJLHXTRGU-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](Nc1ccc(CF)cc1)C1CC1	2055677134	GMGAJKXEPUZRIB-MRXNPFEDSA-N	249.373	4.783	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(CN)CCC3(CC3)CC2)C1	2056523434	OOYFAPNPCXGIPX-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC1(C2CC2)CCCC1	2057604352	QIJKRHKAEFAKET-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@H]1CC(C)=C[C@@H](C)C1	2059173254	QXSYTKSUGIKYOL-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](C)[C@H](NCC)c1ccccc1	2059252023	DOYZADAKYUQFFI-RDJZCZTQSA-N	245.410	4.720	0	10	BJAE	
C=C=CCC[C@@H](NCCC)C1CCC(C)(C)CC1	2061566943	SMHSGBJTPAJVQB-MRXNPFEDSA-N	249.442	4.692	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@]23CCC[C@H]2C3)C1	2061608001	UTTCDPWPFGOVRY-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)CC[C@]12CCC[C@H]1C2	2061639133	RAEWROBNRWEUMD-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1CC(=C2CC2)C1)NC	2061725205	CETKHGCDWPIURS-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(CC23CCC(CC2)C3)C1	2065335721	SCGWFQVNEJRQDJ-RKHAHWSXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2ccccc2C2CCC2)N1	2066376231	RTWHIIKQLMTXLC-PBHICJAKSA-N	243.394	4.547	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC2(CC3CCC3)CC2)C1	2069579790	DDDMSUHCQGACDD-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](Nc1cccc2ccccc12)C1CC=CC1	2070792660	BNUNADAWELOPCE-CYBMUJFWSA-N	237.346	4.606	0	10	BJAE	
CCCCC[C@H](CC)NC1C[C@H]2CC=CC[C@@H]2C1	2073341549	KUIGLGCXVLUJIE-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
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CC[C@@H]1CCCC[C@H]1N1CC=C(C(C)(C)C)CC1	2074896549	QGMCXYJSUQHWQE-GDBMZVCRSA-N	249.442	4.633	0	10	BJAE	
CCCCc1ccc(-c2ccc(O)cc2C)cc1	2077926850	FZDHTJALTKKCQD-UHFFFAOYSA-N	240.346	4.710	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@H]1C[C@H]1C1CCCCCC1	2079514856	KQBXUHNJCDCSIU-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@@]1(N)CCCCC12CCC2	2079661619	QFQOYSFSZSUPQJ-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
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CC=CCCC[C@@H](NC)c1cc(C)cc(C)c1C	2082917838	CZRYVZQZMLIENP-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CC[C@@H]2C2CCC2)C1	2082978489	HKCWLIVWMBFOGP-YSVLISHTSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCCC(C)(C)C2)c(C)o1	2082981030	AASGQDRVEZWHBZ-CYBMUJFWSA-N	248.366	4.686	0	10	BJAE	
CC1(C)CCC[C@H](C=C2CCN[C@@H]2C(C)(C)C)C1	2082982349	KGJXMUSCNHLOLW-HIFRSBDPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]2CC[C@H](C1)N2[C@H]1CCCC(C)(C)C1	2084521188	VYPJULNAOJFJJZ-FZKCQIBNSA-N	249.442	4.608	0	10	BJAE	
CC1CCC(O)(CCCCCCC2CC2)CC1	2213578827	AJQPMMCYWJNNQX-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
C[C@H](C[C@H](N)CCCCC1CC1)CC(C)(C)C	2214573652	OQGTXRUZDKZUCB-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(CC)(CC)CNC(C)C	2215265964	NFGNIAPZIBGSDI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CCC(O)(CC[C@@H]2C[C@@H]2C)CC1	2215279379	BCEMFRWWFGDMAK-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@](O)(CCCCCCCC2CC2)C1	2216861387	GGTSRBCXINQNQD-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)NCC1(CCCC(C)C)CC(C)C1	2217126464	UBTDSHOJTVUBRT-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218321498	FDQRJJXFCVKKOQ-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(N)(CC2C[C@H]3CCC[C@H](C2)C3)CC1	2218356336	LWQVKJCQSFEWHP-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)C/C=C/c1ccccc1)C(C)(C)C	2219087334	WTXVPJFXACXMLN-BMGYJQCNSA-N	244.378	4.731	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)CCCC12CCCCC2	2220878884	OJMYTHLJKKUHPO-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1(C)CC2(CCC2)C1)C1(C)CCC1	2221028394	PLMQIQYANKYTCW-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@]12CCC[C@@H]1C2	2223116316	FFDKWGFNAPQSHK-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCC1CC([C@@]2(CN[C@H](C)CC)C=CCCC2)C1	2223574852	XFDCNWREYVVCKV-VXLLPVPCSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CCCCC2)CC=CCC1	2223599502	WLWPXGTUTFFDAB-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@@H](C)c1ccc(C)cc1	2223963800	MOWOGUIQUZPYHM-DOTOQJQBSA-N	247.426	4.513	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1ccc2occc2c1	2224162109	HXMONELNRMNFOV-GFCCVEGCSA-N	244.334	4.688	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CC1(CCC)CCC1	2244774281	GECXUAWTAOGSPU-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H]1CCc2cccc(C)c2N1	2246636912	PEVOKPHHIRVKME-OAHLLOKOSA-N	231.383	4.692	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(C)CCCCCN2)C1	2246735409	YNQKBOFQLBLDRF-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC1(C(=O)CCCC[C@@H]2C[C@@H]2C)CC1	2247160785	WZJJGAVYPGUGKQ-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H](N)CCC1CCCCC1	2247312179	SOLKWGXSTPDRMN-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](CC1=CCCCC1)NC	2247529969	RMFMBKZTFPZSLC-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1CCC=CCCC1	2250360666	YMMAOKWUNJXLMR-HUUCEWRRSA-N	236.399	4.908	0	10	BJAE	
CC1=C[C@](N)(CC[C@H](C)CCCC(C)C)CC1	2250481499	MIBAVBJNLDQNSA-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)[C@@H](N)CC[C@@H](C)CCCC(C)C	2250483390	ZMLBZAANIZQDQQ-HOCLYGCPSA-N	241.463	4.993	0	10	BJAE	
CCC(CC)C[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251713941	VEUMWSDBQOFGOJ-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)[C@H]2CC23CCCC3)C1	2253937601	WQQNWWNFVJNVPY-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC)(CC2=CCCCC2)C1	2255103217	NLTBXHFNSDEGHO-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
NCC[C@@H]1CCC[C@H](CC[C@@H]2CCCC23CC3)C1	2255233573	NENPUUAACKNHSD-PMPSAXMXSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NC[C@@]12CCCC[C@@H]1CC2	2260585852	DOJRZYKGPUEGKG-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CC1(NC[C@]23CCCC[C@@H]2CC3)CCCCCC1	2260597048	SKJQLNNVWAMGLC-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CC1(CN[C@]23CCCC[C@@H]2CC3)CCCCCC1	2260617190	JGCXJUZWPSLALM-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CC(=C[C@]12CCCC[C@H]1CC2)c1ccc(N)cc1	2260658596	QAHCHRJOSQQILN-DOTOQJQBSA-N	241.378	4.643	0	10	BJAE	
CC(C)(C)CC1CC(C[C@H](N)[C@]2(C)C=CCC2)C1	2261126229	LLKMXELKHNKEIS-UMPYDWHISA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@H](O)c2ccccc2)C1	2261263024	FFJGFHABYQSSKV-ZBCRRDGASA-N	246.394	4.573	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](NCCC2CC=CC2)C1	2261401910	JPLUSCFDCVBJIO-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@@H](C)CC1CC1	2298851998	LUXAIILNWIJMPY-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H](CCC(CC)CC)CC(C)C	2300675690	HIXBIXGRESSNRO-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1CC[C@H]1CC(C)C	2300685736	IGJFPEPFOUKELH-HOTGVXAUSA-N	239.447	4.569	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@@]1(C)CC1(C)C	2300688627	OYZJYUAYVNQCAA-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](O)CC1CCCCCC1	2301135435	KIHUTTYGVKEGFO-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)NCCCC1CCCCC1	2301687956	GKIGCMUOJUTHMD-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CC(C)(C)[C@@H]1C	2302080456	RHHKFXBPIPBPFY-IUODEOHRSA-N	231.383	4.657	0	10	BJAE	
C[C@H]1CCCC[C@H]1c1nc(CC2CCC2)cs1	2302262755	ORVYFSIZFMTACM-SMDDNHRTSA-N	249.423	4.779	0	10	BJAE	
CCCC1(CC(=O)CCC[C@H]2C[C@H]2C)CCC1	2302607850	CWZQQWLWPMXOOE-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1NC1CCCCCCC1	2303399998	CVJZOACQZWNQOA-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@H]1CC[C@H]1C(C)(C)C	2303504850	ZZXMJEFJQVQCLM-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCC(C)=C(C)C1	2303596142	BKXGSMMCXSFPGH-CVEARBPZSA-N	237.431	4.824	0	10	BJAE	
CCc1cc(F)cc(N[C@H](C)C(C)(C)CC)c1	2304018805	HVPPAHNPTHOOKA-LLVKDONJSA-N	237.362	4.625	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C12CCCC1CCC2	2307907697	DHHCISMUUHICSM-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)[C@@H]1CCC[C@H]1C(C)C	2309910360	SRIXNMLWQVSUIT-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)C[C@@]12CCCC[C@@H]1CC2	2313345387	HDNZZMSNQSASMQ-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]([C@H](C)CC1CCC1)[C@@]1(C)C=CCCC1	2313706209	ZXFCVDZASLUJSD-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCc1cc([C@](C)(O)CCCC(C)C)ccc1C	2315919606	XDJCUAJOUHVLHI-QGZVFWFLSA-N	248.410	4.591	0	10	BJAE	
CC(=CCN[C@@]12CCC[C@H]1CC2)CCCC(C)C	2316499356	MWSMDTICOJVQOS-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CC[C@@H]2C[C@@H]2C1	2317924140	ZUUMRFJLOKLCMF-BZPMIXESSA-N	247.357	4.550	0	10	BJAE	
C1=C(CCCNCCCC2CCCC2)CCCC1	2318550696	IUAQFHJCFSADAJ-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
Cc1cc(NC[C@@H]2CCC(C)(C)C2)cc(C)c1C	2319097138	KPIVJAFWIXISOY-OAHLLOKOSA-N	245.410	4.850	0	10	BJAE	
CCC[C@](N)(CC[C@H]1CC[C@H]1C1CC1)C1CCC1	2319737697	MRMPXGIKLPNDLQ-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1NC[C@@H]1CC[C@H]1C(C)(C)C	2320253620	FYTQBNDLPLSVPY-LSDHHAIUSA-N	245.410	4.733	0	10	BJAE	
Cc1ccc(OC[C@@H]2CC[C@@H]2C(C)(C)C)c(C)c1	2320256584	RBWRLBKJULIIAN-GJZGRUSLSA-N	246.394	4.755	0	10	BJAE	
CCN(C[C@H]1CCC(C)=C(C)C1)[C@@H](C)C1CCC1	2320399638	YBUBWSLCZLDZHH-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CC[C@](N)(C1CCCC1)C12CC(CC(C)C)(C1)C2	2321583806	IHEWOMIWCPSFJR-JCYILVPMSA-N	249.442	4.501	0	10	BJAE	
CCCCCCc1ccc([C@H](C)C(C)(C)O)cc1	2327899947	QFIAHPZHCAPNCI-AWEZNQCLSA-N	248.410	4.684	0	10	BJAE	
CCC/C=C/Sc1nc2ccccc2s1	5307773	KVHWRRJQMJJDAD-RMKNXTFCSA-N	235.377	4.702	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H](C)c1ccccc1	20547031	NCBUBINXFVJJNU-LSDHHAIUSA-N	233.399	4.552	0	10	BJAE	
CCCCC[C@@H](N[C@@H](C)CC)c1ccccc1	37186572	QEYADKOJUQGZHG-GOEBONIOSA-N	233.399	4.696	0	10	BJAE	
CCCC[C@H](NCC1CCCC1)c1ccccc1	37254953	MWLMQMUFZOPQCL-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1ccc(Cl)s1	40257909	FWABUWPRWGOWSO-BXKDBHETSA-N	246.803	4.651	0	10	BJAE	
Cc1c(C)c(C)c([C@H](O)[C@@H](C)C(C)C)c(C)c1C	70126060	RPFVRFRMHVNSAR-DYZYQPBXSA-N	248.410	4.554	0	10	BJAE	
CCCC[C@H](CCC)CC(=O)c1ccccc1	71602697	AFOOTTNDNHOWBV-AWEZNQCLSA-N	232.367	4.866	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CN)c1ccc(C)cc1	93136844	XPVRSSQNHHCQON-RDJZCZTQSA-N	247.426	4.644	0	10	BJAE	
CCCC[C@@H](N)c1ccc(Cl)c2ccccc12	93656476	NFZYGAVGIZFMOJ-OAHLLOKOSA-N	247.769	4.683	0	10	BJAE	
CC/C=C\[C@@H](C)Cc1ccc(CCC)s1	107545453	ZLPWUQYKRWFFBR-XYLWRLHESA-N	222.397	4.845	0	10	BJAE	
CC(C)(C)CC[C@H]1CCCc2ccccc2C1=O	109654166	SNEJAGMFVVWMDT-CQSZACIVSA-N	244.378	4.648	0	10	BJAE	
CCC[C@H](NCCCC(C)C)c1ccccc1	109921161	XVTKDZVZBRGXIM-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CC(C)(C)CCC1(CNC2CC2)CCCCC1	110200685	RRXNTCDSQOIQJD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)c1ccc(C)s1	126132882	KEDMZEVRZQFUHX-YPMHNXCESA-N	239.428	4.533	0	10	BJAE	
C[C@@H](C[C@H](N)c1cc2ccccc2o1)C(C)(C)C	128166091	CFQODAJOQZHGBD-AAEUAGOBSA-N	245.366	4.505	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@@H](C)C2CCCC2)c1	132619319	RUBJOPWJQCMVGX-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
CCCC(CCC)[C@H](NC)c1sccc1C	132917069	VSZFMWDMRJWQLF-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC1=CCCCC1	161035499	GSEVHYIYUFASKY-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@H](C)CCC	161079788	VKMHNQDAEBBYTA-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](O)CC1CCCCCC1	168248320	HZBUTLRTNDOYPH-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H]1CCC[C@H](C)C1	168489745	VDIGNJFPTSQQKT-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1ccc(-c2cc([C@@H](C)N)cs2)cc1	213355246	IPBFQAUQJANVAC-LLVKDONJSA-N	245.391	4.558	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCCC(C)(C)C1	224986081	GTRGTZSRABLRHP-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1ccccc1Cl	228668424	HARGUMBFZUYEEC-FZMZJTMJSA-N	239.790	4.556	0	10	BJAE	
CCc1cccc([C@@H](N)CC2CCCCCC2)c1	228858782	BRNUONBUPDNZHP-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCCCC[C@@H](NC)c1cccc2ccsc12	228972327	NWNQUOXZQOBHLT-CQSZACIVSA-N	247.407	4.742	0	10	BJAE	
CCCCC[C@H](O)c1cc2ccccc2s1	229197094	QLNUZHBITPPBQL-LBPRGKRZSA-N	234.364	4.515	0	10	BJAE	
CCCNC[C@@H](c1ccccc1C)[C@@H](C)CCC	233084788	MHVBTPHHLATBJJ-WMLDXEAASA-N	247.426	4.514	0	10	BJAE	
CCC[C@@H](C)C(=O)C1(CC(C)C)CCCC1	233268268	WJWMIALVGFCIQT-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCCC[C@H]1C	250807754	GJMHVDDCHRHPEK-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1c2cccc(Cl)c2CC[C@H]1C#N	260494862	HABDRQWSHMVQND-HZMBPMFUSA-N	247.769	4.556	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@H]1CCC[C@H](C)C1	300137161	LCYUNNJQCHKLLB-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@H](C)C[C@H]1C	300691623	XDFCFXQFVKNYGL-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)CCCNc1ccc(Cl)cc1F	300831381	IGRRZAZKTGPQQQ-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cc(C)c(Cl)s1	300858251	CDRULMFSUBNGQD-MRVPVSSYSA-N	244.787	4.719	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CCC(C)(C)C	300895238	QDXWZVVSFGIWLS-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@@H](NCC)C(C(C)C)C(C)C	306078489	BMNNHRJPDRFSLR-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)c1cc(C)cc(C)c1	308061664	SQUMHCIVEIQDHC-WBVHZDCISA-N	247.426	4.766	0	10	BJAE	
C[C@@H](Nc1ccccc1)c1c(F)cccc1Cl	310139962	BXZJFOXBQSXQTB-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
C[C@@H](CC(=O)CC(C)(C)C)C1CCCCC1	310531174	ZHHLXKKMKKBDHT-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC1([C@H](NCC)c2cc(C)cc(C)c2)CC1	310764357	LCPXOXCZLZBBHV-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cc(C)ccc1Cl	313395373	OQZOYHHMYCJNLC-FZMZJTMJSA-N	240.774	4.508	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC[C@@H]1C)C1CCCC1	313459692	FWXXUYJYMPIFAQ-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCNCC1(CC2CCCC2)CCCCCC1	317127401	BPKXSPPNEFJOSM-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC1CCC(CC=C(C)C)(CNC2CC2)CC1	317584513	GDSWIJOVWLFJLK-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@H](C[C@H]1CCC[C@H](C)C1)NCC	380094929	VVKRDWWBOJYVPL-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(NC[C@@H](C)C2CCCCC2)c(C)c1	380897082	ADBIYYGGQBCYKF-OAHLLOKOSA-N	245.410	4.932	0	10	BJAE	
Cc1cccc([C@H](C)NCCCCCC(C)C)c1	383081724	AHRPCCXWYWCRAI-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CC(C)CCCCCNC(C)(C)c1ccccc1	383155635	IGTBKKAQKZLNSP-UHFFFAOYSA-N	247.426	4.728	0	10	BJAE	
C[C@@H]1C[C@@H](CCC(C)(C)C)Nc2ccccc21	383340087	XIYIBQBIGPFHPI-CHWSQXEVSA-N	231.383	4.801	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)[C@@H](C)CC(C)C	383772138	HXJDZLDFDJSKBS-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CCCC[C@H]1C	384758945	AERXYJGEFGJEDB-HIFRSBDPSA-N	244.378	4.819	0	10	BJAE	
CCN[C@H](C)c1ccccc1C1=CC[C@H](C)CC1	385034888	IFWKDBXBDJHBQF-UONOGXRCSA-N	243.394	4.561	0	10	BJAE	
CC(C)c1cnc([C@H]2CCCC[C@H]2C)s1	385099764	ZMNHROKJYHUPPY-MNOVXSKESA-N	223.385	4.560	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H]1C[C@@H]1CC(C)C	387959381	CYPGUMJIWULULN-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CSc1c(C(F)F)c(C)cc2sccc12	396406263	MIGCYHYODTVESC-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1C)[C@H]1CC1(C)C	397594651	KYYMELOREZNVKK-KGLIPLIRSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1coc2ccccc12	404297675	ONZDFKFEOSQYLD-MLGOLLRUSA-N	245.366	4.649	0	10	BJAE	
Cc1ccccc1CSc1ccc(Cl)cc1	605773307	ALMDMUZMZCNJLX-UHFFFAOYSA-N	248.778	4.941	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1CCC[C@@H](C)C1	689750702	AASVKUDPXIMAQB-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)[C@H]1CNc2ccc(C3CCC3)cc2C1	690269342	WEMZGWKAPQTXRH-OAHLLOKOSA-N	243.394	4.584	0	10	BJAE	
CCC(C)(C)CCNCCCC1CCCCC1	694020463	WCGGTUUGUBLEEM-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@H](CC)NC[C@H]1CCCC2(CC2)C1	695678064	GDIBWSUEBHXNEV-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@H]2CCCC3(CC3)C2)CC1	695688777	IKNCWSOUADKQPL-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCNCC[C@@H](C)c1ccccc1	696677295	IEFHATWNMBBKOI-OAHLLOKOSA-N	247.426	4.596	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCCC[C@H]1CNC	696807508	SCQQSLJUPAPADD-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CC[C@@H](C)c2ccccc21	701069797	BMLSAVAMHOBQFA-DYVFJYSZSA-N	246.394	4.598	0	10	BJAE	
C[C@H]1CCC[C@@]1(CCCC1CCC1)CNC1CC1	701575606	CCOKYSZKKYMTBI-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@H](O)[C@@H](C)CC(C)(C)C)CC1	704614426	RRHYWUWRZZFWAA-SHWKFHJASA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C1(N)CCC2(CCCC2)CC1	704859771	IKSWHFXJXUWOHL-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC([C@@](C)(N)CC2CCCC2)CC1	704912050	GYXARXZDPLKYQE-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@H](C)C1CCCCC1	704936320	CXXYHSMCRPBOGX-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)[C@H](C)CC(C)C	708278988	APBFAVZYCLVBFZ-RHSMWYFYSA-N	247.426	4.753	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(N)[C@]23CCCC[C@H]2C3)C1	709275391	KIJLEZONTXYHPY-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@H](CC)C(C)(C)C	711066916	HCGUULUVCFPSIL-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@@H](CC1CCCC1)NC)C(C)(C)C	711097330	ROXNBFAZJDEPQY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@H](O)c1sccc1C)C(C)(C)C	711212161	RDBXZHCAKCOGCC-NEPJUHHUSA-N	240.412	4.552	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](CC(C)(C)CC)NC	713174948	LFXSSIAVMBFOIE-HOTGVXAUSA-N	247.426	4.595	0	10	BJAE	
C=C/C=C\CC[C@H](N)C1CCC(CCCC)CC1	713759139	CFONYTZMFJKSFA-AWGZSYPDSA-N	249.442	4.833	0	10	BJAE	
C[C@H]1CC[C@@H](C(C)(C)C2CC3(CCC3)C2)C(=O)C1	717634326	CUSCZMWWXPREKW-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCCC3(CC3)C2)c1	723603032	KJFSWUFMCSLTAG-GFCCVEGCSA-N	249.785	4.783	0	10	BJAE	
CC[C@@H](C)CSC[C@H]1CCCc2ccccc21	1559386835	FGBKZXZAQHWBIR-UKRRQHHQSA-N	248.435	4.886	0	10	BJAE	
c1ccc(CCCCSCc2ccco2)cc1	1613250150	DUKWLVNBMFIYGX-UHFFFAOYSA-N	246.375	4.536	0	10	BJAE	
C=C/C=C/CCN(C(C)C)[C@H](C)c1ccsc1	1654767444	RHUDCQGUKNHIKK-PSKZRQQASA-N	249.423	4.652	0	10	BJAE	
CCc1cccc(CSc2cccc(C)c2)c1	1656242743	DNCXYVTVVRWQPW-UHFFFAOYSA-N	242.387	4.850	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N[C@@H]1CCCCC12CCCCC2	1875420359	RJIWKCHHWNTULJ-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
C=CC=CCCN(CCCC)C1CCCCC1	1876773090	HXPVXJLJIDTVCH-UHFFFAOYSA-N	235.415	4.554	0	10	BJAE	
CCC(C)=CCNc1cc(C)c(Cl)cc1F	1900826808	NDPWGNGBXASGRV-UHFFFAOYSA-N	241.737	4.556	0	10	BJAE	
CCC[C@H](CC=C(C)CCCC(C)C)NC	1900877775	ZQIOUYDRVSEOGH-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)CCCC(C)(C)CC1	1910747872	MHFCFMIVXXTZSM-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCCC=Cc1ccccc1)C(C)C	1911897303	QVEBITILTDTJFS-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
CCCNCCC=C(C)CCCCCC(C)C	1911989980	AAQVOLNUYFAVAI-UHFFFAOYSA-N	239.447	4.929	0	10	BJAE	
CC(C)CCC[C@H](C)NC1CC2(CCCC2)C1	1912714816	ADDGNSWHFCEKRD-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
Fc1cccc(N[C@@H]2CCC3(CCCCC3)C2)c1	1915869922	RECLLGXFQUMQFN-OAHLLOKOSA-N	247.357	4.741	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2CCC[C@@H]2C)C=CCCC1	1916567601	CGNIQXGMDVCQAQ-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(C(=O)c2ccccc2C2CCC2)C1	1921301942	JPHACWAHYVGODP-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H](C)C1CCCC1)CC(C)(C)C	1924085723	GWTYHUIEACYWQX-UMVBOHGHSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC[C@H]1C=CCCCC1)CC(F)F	1925857369	OZVKFVGJQNTGGO-RYUDHWBXSA-N	216.315	4.804	0	10	BJAE	
CCN[C@@H]1C[C@H](C)CC[C@@H]1C[C@@H]1C=CCCCC1	1925891806	KTHBEXGWDJYIAW-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)c1cccs1	1925931604	BMSOZVRQEQUTKK-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(C[C@H]2C=CCCCC2)C1	1925946694	VRMKERCNRHUMGH-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CCC[C@@](O)(CCCC1CCC1)C(C)(C)C	1936349179	OSUNKZVCTJVTSH-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)Nc1ccc(Cl)cc1	1939045789	DJGKLJJFAYZRCW-NEPJUHHUSA-N	239.790	4.823	0	10	BJAE	
CCc1cccc(OCC2(C)CCCCC2)c1	1940382625	HUJPQXFFYZIJNI-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)C(C)(CC)CC	1940678935	VJXWCSLCEXOGOX-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CCC(C)(C)C[C@@H]1C	1941358053	YKEMAUZBVWVGKI-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)CCCCCC1CC1	1941581551	MCYUWSNKEYNHJV-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CCCC2CC2)CC1	1941583926	KDPSYVJXXPJBTN-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)CCC1CC1	1941586868	NIXGAOZKKQHWOM-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@](N)(CCCCCC1CC1)[C@@H]1CC1(C)C	1941596658	NCSISXZDRAYPQR-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CCC(C)C)C1CC1	1942663727	UWTFEBCCOIMAES-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(F)(F)CCCC(=O)C(C)(C)C1CCCC1	1944643253	WLRKBZAZDGPLRI-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H]1CNCC[C@H]1CCCCCC(C)C	1944889994	FIHKRGKSFZPAGF-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@H](NCCC2(C)CCCCC2)C1	1945432556	PIQSMHFYEUJPHG-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Clc1ccccc1N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1946292101	YYXXAURTLUKMAC-CLLJXQQHSA-N	249.785	4.721	0	10	BJAE	
CC(C)CC(C)(C)NC[C@@H](C)C1CCCCC1	1947017891	SSQIVVRJMONXEX-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C1(O)C[C@@H]2CCCCC[C@H]2C1	1947855453	IUQMRTPVTOATCH-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)CCCC(C)C	1948965324	YISVGPTWNTYCON-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@](N)(CC1(CC)CCC1)[C@H]1CC1(C)C	1948979060	DHWHTIJALCHKLU-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@H]1CC1(C)C	1948987993	GFMZMPMONFZPEM-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCC(N)(CC(C)C)CC(C)C	1949042716	GTWNNWSIFAETRE-UHFFFAOYSA-N	239.447	4.913	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	1949085119	YEQHXDJKZWKPQI-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CCCC[C@H]1C(C)(C)C	1949087916	JXYUTYOMVGUQOW-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCCCCCC1CC1)C(C)C	1949822813	AVRAOZSFAKVIKM-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC(=O)CC2CCCC2)C1	1949861862	KDIAHDMUIRSWFP-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H]1CCC2(CC2)C1	1950268793	VXZUKNPNASHUSS-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CCC2CCCC2)CC1	1950931335	WDXFBUDRPGSIHX-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
C1=C[C@H](CC2[C@@H]3CCCCC[C@@H]23)CCC1	1960870895	AOYVWHVXKOTLMM-BFHYXJOUSA-N	204.357	4.559	0	10	BJAE	
C[C@@H](CN1CCCCC(C)(C)C1)CC(C)(C)C	1966352600	GZDCNSUOWWBJIN-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1[C@H]2CCCC[C@H]21	1968298769	KGCGSZCMPSARFD-ZSHCYNCHSA-N	243.394	4.658	0	10	BJAE	
CCCC[C@H](CC)NC1CC(C)(C)C(C)(C)C1	1970831550	YKLITPGYCYSAAW-ZDUSSCGKSA-N	239.447	4.760	0	10	BJAE	
CCCC1CCC([C@@H](C)NC2CC3(CC3)C2)CC1	1972674438	GMYWZMGPVGSYJH-WLYUNCDWSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1C[C@@H](C)c2ccccc21	1973170844	LZGOFQRWAYDJFC-CZUORRHYSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(F)c(F)cc1Cl	1980289538	UKJMZQAZZDGRAG-MRVPVSSYSA-N	247.716	4.609	0	10	BJAE	
CC1(C)CC(C)(CNc2ccccc2Cl)C1	1980512171	UIFMOBKYHWYQPC-UHFFFAOYSA-N	237.774	4.578	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)C1(C)CCC1	1981373169	ZNIKHBVMUICKRY-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCCc1ccc([C@@H](O)C(C)(CC)CC)s1	1985603500	BQSUONIRZGMTCB-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
CC(C)C[C@@H](C(=O)C[C@@H](C)C(C)C)C(C)C	1988303304	SOCCUWNKAKKEHB-ZIAGYGMSSA-N	226.404	4.556	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCCC1CC1	1995264285	UZRUYSUORBXMGO-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H](C)C1)[C@@H](C)CCC	1996248891	ZSZSRQMHRLSGMF-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CN[C@@H](C)CC1=CCCCC1	1998380568	OVBWZSQFYPMROV-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@@H]1CCCC(C)(C)C1	2000151677	UVEARJIRJGONAV-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)C(=O)CC(C)(C)CC(F)F	2000215676	ZLGAGYLEPUTDBT-UHFFFAOYSA-N	248.357	4.843	0	10	BJAE	
CCC(CC)CC(=O)C[C@@]1(C)CCCC1(F)F	2002578405	CFXBAOHNPODICG-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)C[C@](C)(N)[C@H]1CCCC(C)(C)C1	2002998928	PBRXIVYSKNZGHW-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
C1CCCCC(NCCCCC2CC2)CCC1	2003098732	HUAZCPMDINCMSE-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCC1(C)CCC(N)([C@H]2CCC[C@@H](C)C2)CC1	2004342130	PSDXDMLJCROLJW-QVOMUQBLSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CCCC(C)C)[C@@H]1C	2006982336	SIWFQGWYFVOCRD-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)C1(C)CCC(C)CC1	2007697310	OTZRTNFXELXVDC-PYBGIAKNSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@H](C=C1CCCCC1)NC	2007940843	VZZFZYXGQFEGFB-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1CCC(C)(C)CC[C@H]1N	2009405191	WEWMVGWJOMDISK-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@H]1CC(C)(C)CC	2009420026	MNUWUJNLNYMOGZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H](NC)C1CCC(CC)CC1	2009593548	BORMXRWBDWRFAN-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H](CC(C)C)C(C)C	2009616387	IOPQTLYSUWXCKA-HABDOHHLSA-N	239.447	4.639	0	10	BJAE	
CCCCCC1CC(N[C@H]2CC[C@H](C)CC2)C1	2009715728	IYXMHYHPYKOOGN-OIBGERBOSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC=C([C@@H](O)C(CC)(CC)CC)CC1	2010711594	BVKQWZPWHPVLFP-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CC=C([C@@H](NC)C(C)(CC)CC)CC1	2010713541	DYHBXOSQEYIGST-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC(=O)CC1CC(=C2CCC2)C1	2011070618	BGXLKVYEPLUHKX-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C(CC)CC)CC(C)(C)C1	2012040841	FQSLEPVKNUUODD-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC12CCC(CC1)CC2	2012819726	AGUFHDDDWYRMEJ-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@H]1CCC1(C)C	2014846492	OAFSPFLUDJXHDS-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C[C@@H](C)C(C)C)CC1	2015335036	JKIMQEXKAOUGKJ-OAGGEKHMSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(CC[C@H]1CCCCCC1=O)C(C)C	2015387180	HQTFRQYMUBWSBK-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1(CC2CC2)CCC1	2015752149	DKSPSBYPIGPFDI-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CNc1ccccc1C(C)C)C(C)C	2016105306	DHUCBYXHGAFJBX-CQSZACIVSA-N	233.399	4.904	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C1(C(C)(C)C)CCC1	2017131587	RXMVRWNUDKBOLZ-AWEZNQCLSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)C2(C(C)(C)C)CCC2)C1	2017132115	ZCEUORUDVVJCNQ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@H]1CC[C@H](CCC)CC1	2017658285	LGPLGBDQMRDHTF-CRIKOPJCSA-N	237.431	4.667	0	10	BJAE	
CCC1CCC(C[C@@H]2CC[C@H](C)C(=O)C2)CC1	2017773688	DRWAECSTDMZNCO-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CC[C@@H](C)[C@H](C)C1	2019122012	POTHQGSOOHIQMC-LVQVYYBASA-N	239.447	4.568	0	10	BJAE	
CN(C1CCCCCCC1)[C@H]1C=CCCCC1	2019540171	BXWMUSZISIDCPA-INIZCTEOSA-N	235.415	4.530	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1C[C@H]1C1CCCCC1	2022348748	JHNGZNZSAFZKFN-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CNC(C)C)C[C@@H]1CCCC(C)(C)C1	2024093896	FXOBVNVYFWDNPP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2CCCC(C)(C)C2)CCC1	2024100419	CLDCUTKMDAFFBF-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CCC1(F)CCC1	2026169289	HRQSIKAHDVZIQW-ZIAGYGMSSA-N	244.394	4.626	0	10	BJAE	
CC1(Cc2cccc3c2NCCC3)CCCCC1	2027309047	LZJXNYJVOXQYNR-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CCCC3(CC3)C2)CCCCC1	2027313792	JHYMPWGZIJGRQQ-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCCc1ccccc1CN[C@@H](C)C[C@H](C)CC	2027902504	ZPXHYAQSQUSFDB-CABCVRRESA-N	247.426	4.553	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@H]2C[C@@H]2C(C)C)cc1	2028465971	PTINUOXXAZVDHP-XKQJLSEDSA-N	245.410	4.505	0	10	BJAE	
CC(=CCCNC1CC1)CC1C[C@@H](C)C[C@H](C)C1	2031822164	YOLQXAAWTRTPBO-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNC1(C2CCCCC2)CCC1	2033057821	YKPZNLNLLSJKNC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1C[C@H]2CC[C@H](C1)C2	2033100313	KKIMBLDAEUEZLN-AYDFFVQHSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1CCC(CN)(C[C@H]2C=CCC2)CC1	2035597283	BSSSSNKXNAPWHX-UQPPLGOBSA-N	249.442	4.524	0	10	BJAE	
N[C@@]1(CCCC2CCC2)C[C@@H]2CCCCC[C@@H]2C1	2035853544	VFBWYJARUCUVHI-BJWYYQGGSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)CC1CC2(CC2)C1	2036727752	PKJACGHIKGDSHZ-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)CC1CCC=CCC1	2037207588	BQCVUPYDXPVXII-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@]1([C@@H]2CCC3(CCCC3)C2)CCCN1	2037591184	IHTIPHMRPKOUQQ-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CCCNCC1([C@H]2CCC3(CCCC3)C2)CCC1	2037704257	QMZDGBYMZGVKJZ-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC(CCN[C@@H]2CCCCC23CCC3)C1	2038094610	OXSNIOLVIKRWTB-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1C[C@@H]2CCC[C@@H]2C1	2038624408	ZVQOKSAYUGQJNP-QDMKHBRRSA-N	243.394	4.801	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@H]1CC12CCCCC2	2039010306	XHVXTYOXNXFMRL-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@@H]2CC23CCCCC3)C1	2039079005	NESKMFHMUCVSGB-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCC[C@H](C)CC2)cc1F	2039373348	HOUHUPOEELYHHJ-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CCCC1(NC[C@@H]2C(C)=CCC[C@H]2C)CCCC1	2039453090	OQYCBGMYMDURFP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@@H]1CC[C@H](C)C1	2040172655	NRGYPUIYKKGLJT-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C(C=Cc1cccs1)=Cc1cccs1	2040347177	SEIGKYBFMXSLAH-UHFFFAOYSA-N	218.346	4.536	0	10	BJAE	
CC[C@H](NCC1CC=CC1)C1CCC(C)(C)CC1	2040679913	GHHHBFVCYUBQOS-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](N[C@@H]1CC12CCCCC2)C1CCCCC1	2040681811	WQXJXUJZVMGBRN-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@H]1CCC=CCCC1	2045318317	UOAPECBWJCVTMR-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC(C)NCC1([C@H]2CCCC(C)(C)C2)CC=CC1	2045503616	DVOBMQSFLURVDD-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@H]1c1ccc(C(=O)CC2(C)CCCC2)o1	2045562747	YNSNXTHNOCHJIP-NWDGAFQWSA-N	246.350	4.556	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCC1)C1(C)CCCCCC1	2045733780	VMASONZAVPZUBS-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@H]1CC12CCCCC2)c1cccc(N)c1	2047020370	PDKJDYAPFIWEHL-HIFRSBDPSA-N	243.394	4.733	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2049200721	LQJVXLLIHUMCKK-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
N[C@@H]1CCCCCCC[C@@H]1C[C@@H]1C=CCCCC1	2049702556	YJSIPBLRZUJPPE-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC2(CC2)C1)C1(C)CCC1	2049855746	MXRKXBOWEDGHJY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1CCCC2(CC2)C1	2049951149	MHJRBESWMPXCSG-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(NC[C@@]2(C)C=CCC2)CC(C)(C)C1	2049979992	UUAJPZZHJUIGHR-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC([C@@H](NC)[C@]2(C)C=CCCC2)CC1	2049997696	PPFMHOJRVHUIID-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CCC(C)CC1)[C@]1(C)C=CCCC1	2049997766	PZXRVLOOBNUDCJ-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H](Oc2cccc3c2CCC3)C1	2050413246	HWVUKNGQDIVCIF-DZGCQCFKSA-N	244.378	4.523	0	10	BJAE	
Cc1ccccc1C(=O)CCCCCCC1CC1	2050461289	SVVUTXORKKXHHY-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@@H]1CCC[C@H]2C[C@@H]21	2057357167	IXTKFIDLCYSQHQ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2059392952	YSGMVRGESJAMTD-LHJGCZIBSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)NCC1CC(=C2CCC2)C1	2061646097	BMFJPPDODHVHMW-KBPBESRZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]1CCCN[C@H]1CCCCCC12CC2	2062017159	MVBDKQXGZZXHPQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@H]1C[C@@H]2CCC[C@@H]2C1)c1cccc(N)c1	2063491553	SEEICHYCEIWEFY-DARAHFNDSA-N	243.394	4.589	0	10	BJAE	
C[C@H](C(=O)CC12CCC(CC1)CC2)C1CCCC1	2065277816	RQPOPXOPRLXIES-CBCUQQMYSA-N	248.410	4.742	0	10	BJAE	
CCCC1([C@@H](N)CC23CCC(CC2)CC3)CCC1	2065299848	GNURBXRWZHTHNO-PCKAHOCUSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc([C@H]2CCC[C@@H](C(C)C)N2)cc1	2066379536	YYKZVEXZZSKEDX-DLBZAZTESA-N	245.410	4.649	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C[C@H]1CC12CCC2	2069196027	FEZRCUKLBABYQO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1[C@H]2CCCCC[C@H]12	2070304110	LSSMMVRJDSNMGF-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CCC1(C(C)C)CCC1)c1ccco1	2071944716	ZLNKDKROWHHFKE-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H]2CCC23CCC3)CC1	2072696672	OEPPZRVGJIAPND-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@@H]2C[C@@H]3CC[C@H](C2)N3)CC1	2072814826	GFDYRXNBOTWCNT-BOXKHOIUSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(N2CCC3(CCCCC3)C2)CC1	2074858955	GJUCMQIGQWIAPF-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](Nc1ccccc1C1CC1)[C@H]1CC1(C)C	2077261738	DEUBPBAFJUUGEJ-CABCVRRESA-N	243.394	4.801	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNC1(C2CCCCC2)CCC1	2079650250	JHKGAKPGQQOXCZ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC1(NC[C@@H]2C[C@H]2C2CCCCC2)CCC1	2079650830	MUDUTTHCUDEEEH-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@@H]2C2CCCCC2)CC=CC1	2079866566	RRGBXDFTPXPPHI-LSDHHAIUSA-N	246.394	4.518	0	10	BJAE	
CCC1CC(CC(=O)C[C@H]2C[C@@H]2C2CCCC2)C1	2084987965	FNERJXOZLJKPCZ-IDQHFDBOSA-N	248.410	4.598	0	10	BJAE	
FC1(F)[C@H]2CCC[C@H]1CC(CC1CC=CC1)C2	2213304664	ZURZTZHWGOFGPD-KBPBESRZSA-N	240.337	4.804	0	10	BJAE	
CCC[C@H](C)CCNCCCCCCC1CC1	2213580652	NEOLWWNGOGNLCO-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(CCCCC2CC2)C1	2214563149	OQIMLQNWUPJFOS-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CC[C@@H]1C[C@H]1CC)CNCC	2215264829	GPFHMGJCESGDFZ-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)[C@H](CC[C@@H]1C[C@@H]1C)NCCC	2215301691	OJDSMESJLHWCNT-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2CC[C@H](C)C2)CC1	2215808936	YVZOPPKKBSYXCW-LZWOXQAQSA-N	234.383	4.518	0	10	BJAE	
CC1(CC[C@]2(O)CCC[C@H](C(C)(C)C)C2)CC1	2216254981	BDMYTHWLHVJMLE-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@H](CCCC(C)(F)F)NCC	2216273423	XBFQENOVSUYUAQ-DIECRNLCSA-N	247.373	4.536	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H]1C)C(C)(C)CCC	2216282873	MYEAKTFWJJRWFT-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](C)(CNC1CCC1)[C@H](C)CCC(C)C	2217140211	IQCWLVMTAHENHW-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
N[C@H]1CCCCC[C@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218357707	SEBADABXJFICRF-BIVLZKPYSA-N	249.442	4.501	0	10	BJAE	
C1CCC2(CC1)CCCCN2CCCCC1CC1	2220016011	LRUFWYUDGUBWGI-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CC1(C)C[C@@H]1CCCn1ccc2cccc(F)c21	2220312115	GZIMISVSKRJDBQ-ZDUSSCGKSA-N	245.341	4.607	0	10	BJAE	
C[C@@H]1CC[C@@H]1C(=O)C[C@@H]1C[C@@H]1C1CCCCCC1	2220539110	ITAIVQUNVRTZCN-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)C1(C)CC2(CCC2)C1	2221004119	ULDAUMDPSAGQTH-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)C1)C(CC)CC	2246453918	JJTCHMJVQOBDCB-SIWZUTFBSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(O)CCCC2(C)C)C1	2246694675	QLFXXHDJUMWXOJ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H]1CCC12CCC2	2247440373	LGJJRNHZOAWPIM-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1cc([C@@H](N)[C@H](C)C(C)C)cc2ccsc12	2248555684	NQLXPXSLINQZDK-RISCZKNCSA-N	247.407	4.502	0	10	BJAE	
CC(C)(C(=O)c1ccc(C2CCC2)s1)C1CC1	2250277204	LCRLBSOQJBPDTN-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1C[C@@H](C)CC(C)(C)C1	2250379192	SAFFZOWVDZHHOE-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CF)CCC[C@H](C)CCCC(C)C	2250479803	YSXZINSUYABVRL-CABCVRRESA-N	245.426	4.567	0	10	BJAE	
CC[C@H](NC)[C@H](C)CC[C@H](C)CCCC(C)C	2250480225	DKGSMAJOSDOQSL-OAGGEKHMSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)[C@H](C)C1CC1	2250519942	PRYROPWDDDZCBA-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@@]12CCC[C@@H]1CC2	2251203765	MLJFJMUKAUUVPZ-IOASZLSFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2251222584	QBZJYAVXRDFBDY-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCC[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251709814	ZJUCCHGXRQQCLT-CYBMUJFWSA-N	234.383	4.540	0	10	BJAE	
Cc1coc(C)c1[C@H](N)CC[C@H]1CCC[C@H](C)C1	2253922136	WYDZKBZJEOPNQK-NILFDRSVSA-N	249.398	4.503	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC2CC3(CCCC3)C2)CC1	2254056244	PPYKCIOPVDSCKU-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC)c1ccc(CCC=C(C)C)cc1	2254228745	HHQUQJWAKSIFLG-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)[C@H]1CC12CCCCC2	2254585178	MLHMRCCHNPJNHT-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(NC[C@H]2CCC23CCC3)cc1	2254955001	QOCGKDJZIXJPES-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
C[C@H](NCCCCC[C@@H]1C[C@H]1C)c1ccccc1	2257320162	HZCDNAOPXBORAL-HLLBOEOZSA-N	245.410	4.554	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@@]23CCC[C@@H]2CC3)C1	2260605138	JRHCYZLIXMEJNO-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC1=CCCC[C@@H]1NCC1CC(CC(C)(C)C)C1	2261180849	DCPZJBHIYAKERO-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@@H](C)CC1CC1	2298915862	ORSVYECNBDMBCV-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCC[C@@H]1C1CC1	2300698608	ACHOAIIRLIMGEM-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCNc1ccc2ccccc2c1	2300862826	IEVVUQAONPWEEX-UHFFFAOYSA-N	225.335	4.608	0	10	BJAE	
CCC(C)=CC[C@](C)(O)C1CCC(CC)CC1	2300901556	KNQIYJLTONFKPP-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CCC=C(C)CC)CC1CCCC1	2300921235	NUGFBYOXYCJDQP-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CCC(=O)[C@@]1(C)CCCC(F)(F)C1	2300925660	FDWFVPDLQCNYQT-ZDUSSCGKSA-N	244.325	4.518	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CC(C)(C)[C@@H]2C)cc1	2302145573	AGVVRQHQCBOJIW-DOMZBBRYSA-N	231.383	4.657	0	10	BJAE	
CC(C)CCC[C@H](O)CCCC1=CCCCC1	2302325297	GCVBZCICUNIOTL-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CCCNCC(C)(C)C[C@H]1CCC(C)=C(C)C1	2303520809	HWBIDYKQFQLTNJ-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@H]1CCC(C)=C(C)C1	2303582881	KKRGJFQJYBCBRF-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H]1CCC(C)=C(C)C1	2303597239	OJSHIBXVHNVKHZ-CVEARBPZSA-N	235.415	4.600	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CC[C@H]1CCC(C)(C)C1	2304360039	PKMQIBGDRUHGSI-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@H](O)C2CCCC2)C1	2304447922	SOAJEKWGAXKWKB-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1c(C)cccc1C	2307762038	ZGPZWDVQPGKENC-CQSZACIVSA-N	232.367	4.703	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@@H]3CC[C@H]23)cc1C	2309516804	YMKSEHZARZCYMX-PVAVHDDUSA-N	243.394	4.548	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1N[C@@H]1C[C@H]1C1CCCCC1	2311538197	RKRIPDIFLUIPCB-LUKYLMHMSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](CN[C@@]23CCCC[C@@H]2CC3)C1	2313340705	DGTZXRCDCMNFTR-MWDXBVQZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2313643753	ZVKMXJIKMIJZHP-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](c1ccc(C)c(CC)c1)[C@@H](C)C(C)C	2314714362	YRZOBKHSHNDZCW-YOEHRIQHSA-N	247.426	4.500	0	10	BJAE	
CC(=CCN[C@@H]1CCCC12CC2)CCCC(C)C	2316489157	DKANXLMIPQCESJ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@@H](N)[C@@]12C[C@H](C)[C@@H]1C2)CCCC(C)C	2316551100	RRZJMGALDIFSOJ-MWDXBVQZSA-N	249.442	4.523	0	10	BJAE	
N[C@]1(CC2CCCCCC2)CC[C@@H]2CCCC[C@@H]21	2316883885	JLQUJPYWURSFRB-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCCCC1=CCCCC1	2318529597	RVRSBCTYBHFDBQ-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCCCCN1CCCC1=CCCCC1	2318576073	LPKRFCSAARAYBO-KRWDZBQOSA-N	249.442	4.922	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1CNCCCC1=CCCCC1	2318581452	WWWOCTSQNPZYFA-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
N[C@H](CCCCC1CC1)CC1CCC2(CC1)CC2	2318876392	JEJUYUZXRAYCAM-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)CCCC[C@@H]3C[C@@H]32)C1	2319247668	XWTGMIJMHLXHDD-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@H]1CCC(C)(C)C1	2319327206	UMAKYFZVKQOQIL-CQSZACIVSA-N	241.378	4.776	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@H]1CCC(C)=C(C)C1	2320238064	QNWCHUAJNSCSMA-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@H](NC[C@H]2CCC(C)=C(C)C2)[C@@H]1C	2320407358	ZVGMZHMHSPTMJW-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)C1	2321624449	GYLVQZGVERXPGV-TTZDDIAXSA-N	248.410	4.598	0	10	BJAE	
C(=C/c1ccccc1)\CSCc1ccccc1	3201514	ZCWGQVMUFLRTTQ-KPKJPENVSA-N	240.371	4.633	0	10	BJAE	
CC[C@H](C)c1ccc(NC2CCSCC2)cc1	36953735	KLNUHQCMOKBTNU-LBPRGKRZSA-N	249.423	4.508	0	10	BJAE	
CCC(CC)Nc1ccc(-c2ccccc2)cc1	37057010	GZUCWZZNMMKBJZ-UHFFFAOYSA-N	239.362	4.954	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@@H](C)CC2CC2)cc1	70100593	UGJHAXCETTYMBP-UONOGXRCSA-N	245.410	4.649	0	10	BJAE	
CCCCCCNc1ccccc1SCC	71104776	GMGJAXRXDHBMMJ-UHFFFAOYSA-N	237.412	4.791	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](C)CNCCC	82763864	CUPJCRQCKQNMIO-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@@H](CC)C/C=C/CCNCCC	86571475	WMVWUKOINGJEJR-XVJNWHFHSA-N	225.420	4.539	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCC(C)(C)C1	87769539	QCUXFEDQIGHZPG-GFCCVEGCSA-N	237.774	4.639	0	10	BJAE	
CC/C=C\C[C@H](C)c1ccc(Cl)s1	107596051	QESGQQBSXAQEPO-WBSSQXGSSA-N	214.761	4.861	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C1CCC(C)CC1	109737984	ULENTLQGASUGND-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NC)C(CC)(CC)c1ccccc1	109747886	VUJUYDHMNRFAFX-INIZCTEOSA-N	247.426	4.523	0	10	BJAE	
CCC(CC)[C@@H](O)c1c(C)c(C)c(C)c(C)c1C	109784373	FBKPXCXIRDAWGB-QGZVFWFLSA-N	248.410	4.698	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccc(OC(C)C)cc1C	109912252	GIDFABVEDXEHGJ-TZMCWYRMSA-N	249.398	4.629	0	10	BJAE	
Cc1cc(OC(C)C)ccc1N[C@H](C)CC(C)C	109912329	UDBPKKRPCUNKKK-CQSZACIVSA-N	249.398	4.629	0	10	BJAE	
CCN[C@@H](CC1CC1)c1ccc([C@@H](C)CC)cc1	110208320	PHQSESUQKXAWGZ-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CC(C)C1CCC(c2nc(C3CC3)cs2)CC1	132002251	RMTSWKCSEMNDOD-UHFFFAOYSA-N	249.423	4.950	0	10	BJAE	
CCC(CC)CC1(N)CCC(C(C)(C)C)CC1	147960994	WYEJNRHSVQDIAM-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCCC)C1(C)CC1	156414025	XQOGTPKJANNLND-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCc1cccc([C@@H](O)CC2CCCCC2)c1	157874436	RFSAWWUASBWZKL-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CC[C@H]1CCC[C@H]1N[C@@H](C)C1CCCCCC1	164127089	SKPBTPJBRJNGLI-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](Nc1cccc(F)c1)c1cccc(F)c1	166405135	XBGOHWKBAJHQKX-HNNXBMFYSA-N	247.288	4.528	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1cc(C)ccc1C	211751569	PUGHTMUNMATCCK-MRXNPFEDSA-N	233.399	4.520	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCCC[C@@H]2C(C)C)c1	214630334	JULOSVAOQPJLGH-CVEARBPZSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@@H](C)[C@@H](C)C1	225977578	HQBQWTRXERMREZ-FXUDXRNXSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H](C)c1ccccc1	226004737	DXSSHJXQHNLYBH-WBVHZDCISA-N	247.426	4.739	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCCC1	250919006	ZOXJDKDFAQXUTQ-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)C[C@@H](C)C[C@@H](C)C1	251299608	HIHWMLJDKRMNPV-QKPAOTATSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)c1ccc(C(F)(F)CC)cc1	259068877	XTZKDHYJFBCIEM-JTQLQIEISA-N	212.283	4.702	0	10	BJAE	
CCC[C@H](C)[C@H](O)[C@@H](c1ccccc1)[C@H](C)CC	300465256	LSAMKZNYMKTEFP-WTTBNOFXSA-N	248.410	4.613	0	10	BJAE	
Cc1ccc(C)c(NCCCC(C)(C)C)c1	300836233	IQWHPPFNLAIFFF-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CCCNC[C@](C)(CCCC(C)(C)C)C(C)C	302326900	RRBVLWLQEWLWJS-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(CC)c(C)c1	302369669	ZMYLOIMXIWRUHZ-CQSZACIVSA-N	233.399	4.938	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@H](C)CC(C)C	304418906	JNBYDSYLIYQTGG-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCc1cc2ccsc2c(SC)c1Cl	306617246	QXIBYYMRXHTJNT-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1csc2ccc(Cl)c(CC)c12	306891881	HVNWNGCMIXXTIN-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)[C@H](CCC)CC(C)C	308024161	MESVBSARFIYLLR-RRFJBIMHSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](NCCCCC(C)C)c1cccc(C)c1	310913682	HYSUBXXJMYBHDC-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
C[C@@H]1CCC[C@]1(CNC1CC1)CC1CCCCC1	318746356	OFWFQEPCPFLXCJ-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](CCC)C1CCC1	322758024	CFXNOZQTUJMXGN-GOEBONIOSA-N	239.447	4.904	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C(C2CCC2)C2CCC2)C1	380581209	ATXULHLMIZJSEU-DOMZBBRYSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC[C@H](C)[C@@H](C)C1	383206112	AXSBMDCIUSOHDP-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](N)c1ccoc1Cl	383320591	XQJGWJLJUFJBBP-LBPRGKRZSA-N	243.778	4.539	0	10	BJAE	
CC[C@H](CNC(C)(C)C)C[C@H]1CCC[C@@H](C)C1	383895513	MQCRSDHLXFEGPY-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1-c1cc(Cl)ccc1N	384447217	IHMWSSIYUSLELX-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
CCC1CCC([C@H](N)CCC2=CCCCC2)CC1	385113779	DNUFXNGBSLSTOH-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H]2CCC[C@H](C)C2)cc1C	385306723	ZBSYTWRVXFSMKV-YLQAJVPDSA-N	245.410	4.520	0	10	BJAE	
c1ccc2cc(N[C@@H]3CC34CCCC4)ccc2c1	386860570	CBAZJUSYPIJIDT-MRXNPFEDSA-N	237.346	4.584	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cscc2C)cc1F	387223241	SYARPMPOAIUNCD-NSHDSACASA-N	249.354	4.677	0	10	BJAE	
CCC[C@H](C)CC[C@@H]1CCc2ccccc2N1	394081176	QFGGVRPWYKAXOH-DZGCQCFKSA-N	231.383	4.630	0	10	BJAE	
CC[C@H](C)CCNc1cccc(C(C)C)c1	394450242	LIEJXXVQEDHXNT-ZDUSSCGKSA-N	219.372	4.658	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)CC1CCCC1	395405939	ZBCHITBHHVOXJL-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@]1(C)C[C@H]1N[C@@H](CC(C)C)c1ccccc1	397316002	QYSGRBLBECFOAV-GVDBMIGSSA-N	245.410	4.552	0	10	BJAE	
CC(C)(C)c1ccc(OC[C@@H]2CC=CCC2)cc1	402318811	KPAKVMNOYOLGHD-CQSZACIVSA-N	244.378	4.719	0	10	BJAE	
CCc1cccc2ccn(C[C@H]3CC=CCC3)c12	402331012	ORLGCJGMRYBOOZ-AWEZNQCLSA-N	239.362	4.560	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)C[C@@H]1CC[C@@H]2C[C@H]2C1	403370185	MKWSPKGVNDXBAJ-MFSVKBKNSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](NCC(C)C)[C@H](C)c1ccccc1	405573820	XFNGSMFVKLINKZ-NVXWUHKLSA-N	247.426	4.595	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC(C)(C)c1ccccc1	686738716	PBQPHNKSAXFJNC-AWEZNQCLSA-N	246.394	4.606	0	10	BJAE	
CC(C)c1cccc([C@H](N)C2CCCCCC2)c1	688939738	QAIIWPRMCMEDQS-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
C/C(=C/CCNC(C)C)c1cccc(C(C)C)c1	688967008	JPUHJVNCLFEARW-NVNXTCNLSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](C)CC2CCCCC2)C1	694718446	FKISOHWESQFAPW-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	696548004	XWXHDJXDWCCJSG-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CCC=C(C)C)NCCC	697778377	XJLRCQRANMRCIW-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@](CCC=C(C)C)(CNC)C1	698025098	QLYKMTRKPPVHEJ-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@](N)(CCCc1ccccc1)C(C)(C)C	704824331	IFOBIBYNZBOVLQ-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
CC(C)c1ccc([C@@](C)(N)CCC(C)(C)C)cc1	704861751	MXINBAWWLFDNQY-KRWDZBQOSA-N	247.426	4.810	0	10	BJAE	
CC[C@@H](CC(=O)c1csc(C)c1)C(C)(C)C	711182549	XXNBJLSRPDTVOV-LBPRGKRZSA-N	238.396	4.702	0	10	BJAE	
CC[C@H](C[C@H](CCCC1CC1)NC)C(C)(C)C	711189255	HPNSPEYCAHUHNB-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@](O)(CC)c1ccccc1	711270771	SDTIPKINTIEVFB-INIZCTEOSA-N	234.383	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1	714298470	MASDKAVZHJZDBC-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CC1	716833381	DGWAGXZMLWSRNW-SQWLQELKSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CC[C@H]2CCCC[C@@H]2C1	724208824	BRQLJPBUQCFJCX-BZUAXINKSA-N	231.383	4.636	0	10	BJAE	
C=C/C=C\CCS[C@@H](C)c1cccc(OC)c1	1165816719	KQISXOMNYSGSFE-SZZPACECSA-N	248.391	4.622	0	10	BJAE	
c1ccc(CCCCSCCC2CCC2)cc1	1459038590	PAFNFOGIGXVCBN-UHFFFAOYSA-N	248.435	4.933	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@@H](C)[C@H](C)C1	1560842327	VBYXKGIKDUWOKC-LVQVYYBASA-N	237.431	4.536	0	10	BJAE	
CCC[C@H](NC[C@H]1CCC[C@H](C)C1)C(C)(C)C	1645702259	DHUCJWGHNYYBDW-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CNC2(C3(C)CC3)CC2)CC1	1651073141	BAEPXPHSFLMZPS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCCCCc1nc2ccccc2n1CCC	1873513580	JQLWYLSBVUYFRP-UHFFFAOYSA-N	244.382	4.569	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCC=Cc1ccccc1	1877171542	ZQJWNJZGMXIJJB-DOTOQJQBSA-N	245.410	4.504	0	10	BJAE	
CCC[C@H](CC)CN(CCC)Cc1ccccc1	1893755461	GZGBVGXBFGEHNA-INIZCTEOSA-N	247.426	4.725	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C(CC)CC)s1	1901883540	UTYZFPARGFBJFS-NSHDSACASA-N	239.428	4.712	0	10	BJAE	
CCCCC[C@H](N)CC[C@H]1CCC(C)(C)C1	1903409785	RZBPEFIYWDYZFO-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
FC(F)=Cc1ccc(-c2cccs2)s1	1905543199	BGBOMYVJNLROAB-UHFFFAOYSA-N	228.288	4.714	0	10	BJAE	
C=CC=CCCc1ccc(C(F)(F)F)cc1C	1911869662	HWGLZKXBVZJUKK-UHFFFAOYSA-N	240.268	4.689	0	10	BJAE	
CC(C)(C)NCC1(C2CC2)CC2(CCCCC2)C1	1912557455	IBAYBHLGMVQDKJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](O)(C[C@H](C)C(C)(C)C)c1ccc(C)cc1	1919871903	KODHZFDFOLAGRJ-WMLDXEAASA-N	248.410	4.665	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C1CCCCCC1	1919948798	PPXMVTQHRXWMOA-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)c1ccccc1C1CC1	1920199490	AENCCTYGHGGUBR-CXAGYDPISA-N	245.410	4.564	0	10	BJAE	
CC1(C[C@@](C)(CN)C2CCCCC2)CCCC1	1924098842	HZZIZYXSIJCTPO-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H](C)C1CCCCC1	1924103017	ACLWBRYCYCADMG-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@@H](C[C@@H](C)c1ccccc1)NC	1926382527	RCYJYJCLHMTBMC-RHSMWYFYSA-N	247.426	4.595	0	10	BJAE	
CC(C)(C=CBr)C1CCCCC1	1931477648	NNVSGZDYUXDNRB-UHFFFAOYSA-N	231.177	4.502	0	10	BJAE	
CCCN[C@@H](CCC)CCCCCC1CC1	1936417817	QNDZMRLFTCFHSP-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](C)(N)C(C(C)C)C(C)C	1940255322	GFDADGOIVXNSHK-GDBMZVCRSA-N	241.463	4.704	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)[C@H](CC(C)C)C(C)C	1941244044	RRZHHQHHDQJVAV-HZPDHXFCSA-N	240.431	4.802	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@@H](CC)C(C)C	1941265399	VLRGYNBRZYNJBM-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@H](C)CCC(C)C	1942657689	ODYRHCHXMQPLRU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](O)(CCC(C)C)C1CC1	1942657860	GLKVIYWUOPCFEI-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@H]1CCC[C@@H]1C	1944849457	MKEZFVIPFVHRMZ-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1CCC(C)(C)C1	1945592217	MDJNPZVEMWETNE-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCCC2(CCCC2)C1	1946455166	LVYODVVQDQEWEG-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1C=CCC1)NCC	1947577235	SSBSMMDZYMNCBK-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(N)CCCCC12CCC2	1947900123	LKLBFSLHYUNDTA-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H]1CCC[C@H](C)C1	1948992878	BHJBBOOBTDTYMP-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
N[C@H](CC1=CCCCCC1)CC1CCCCC1	1949918967	VLRSDZFDWXCBKI-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H]3CCC[C@@H]3C2)cc1Cl	1950294709	KVXPLTRTGFIQFI-DABQJJPHSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc(Cl)c(OCCCCC2CC2)c1	1963047248	BUJBQKHUPBPDMG-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
C[C@H]1CC[C@H](N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)CC1	1965896521	PXHHMAVENPZFCZ-BSBCAUIJSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC1CC(C)(C)C1	1968602595	NAJOPQZKTWQBKY-UHFFFAOYSA-N	231.383	4.719	0	10	BJAE	
CCCC(C)(C)C(=O)c1cc(C(F)F)cs1	1977098711	CLSMUWNFKKULJA-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@@H](CC)CCC	1990763632	YIIBUQAPYJYPPT-CABCVRRESA-N	227.436	4.713	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC[C@@H](C)CC	1990765969	ZKNHYIRTLAFION-GJZGRUSLSA-N	227.436	4.571	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cc(Cl)ccc1C	1993491658	PLUYHJRZPQJQQZ-LLVKDONJSA-N	238.758	4.657	0	10	BJAE	
CC(C)CCCCN[C@H](C)C1(C)CCCCC1	1995991337	OLKSXFQFGJJYSM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@](N)(C1CCCCC1)C1CCC(C)CC1	1996595666	XSSVTHRVOMPIMF-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H]1CC[C@H](C)C1)NCC	1996613143	OLDWXZYHYRPTGN-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC2CCCC2)CC1	1997107788	DWDIYOAOZAGADG-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@]1(C)CC=CCC1	1997552924	UXNXKVLCGGQBAP-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC([C@](C)(O)CC2(C)CCCCC2)C1	1998657033	GEQKKOGVBGYIMI-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C(=O)C[C@H]2CCC=CCCC2)CC1	1999983240	KJAKQAVSESAACB-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)[C@@H]1CCCC(C)(C)C1	2002987489	XQJHUDFANZBFDO-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)[C@H]1CCC[C@H](C)C1	2003013666	IPEBNAKNFXLGDS-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C[C@@H]1CCC1(N)CCCCCCCC1	2003102544	YEQAAXBBZXYWPL-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CC(C)(CC[C@@H]1CCCCCCC1=O)C1CC1	2003117830	PHJZMHBAPVVZKL-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@@](N)(C[C@H]1CCCC2(CC2)C1)C(C)(C)C	2003219639	ALAIVGBPJJMZQX-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C(=O)C2(C)CCCCCCC2)C1	2004936821	FWZCWAIQHYFOMP-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)c1cc(C)sc1C	2007933489	ATBGXWBGOHTHLQ-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)CC[C@@H]1CC=C(C)C	2009412701	ZRPVIJDGYCIHOW-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCC1(N)CCC(CC)(CC)CC1	2009571119	GQOCNCHDAJZYNQ-QPJJXVBHSA-N	237.431	4.811	0	10	BJAE	
C/C=C/CCC[C@@H](O)[C@@H]1CCCC(C)(C)CC1	2009594249	QXGNQTPNLNIRET-DPOFCPOHSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@](C)(CCC)CNCC(C)C	2009619752	OFAVSNWJPXBWIP-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CCCCC1CC(N)(C[C@H](C)CC(C)(C)C)C1	2009791221	JIBWXPNCYWMCLU-VQCLRJIVSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)C1=CC[C@@H](C)CC1	2010620738	DSTUWEIHJRLHNR-YCPHGPKFSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](N)C1=CC[C@H](C(C)C)CC1	2010763224	KVPQPRJRCVVZDW-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@@H](C)C(C)(C)C	2011183216	JSQWXQGGNZZCLL-CQSZACIVSA-N	241.463	4.817	0	10	BJAE	
CCCC(C)(C)C(=O)C1CC2(C1)CC(C)(C)C2	2012117884	HZAXEMFIFBNYIO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H](C)C1CC2(CC2)C1	2012412776	PUKDOUUKKXMBPY-NSHDSACASA-N	249.785	4.639	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)C[C@H](C)C(C)(C)C	2013237514	RSNLVNGNCUDMEC-DZGCQCFKSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)[C@H](N)c1sc2ccccc2c1C	2014293923	VXSHGPLLCIYHGF-AWEZNQCLSA-N	247.407	4.646	0	10	BJAE	
CCCN[C@@H](CCC)C1CC(CC(C)(C)C)C1	2014654709	GDKCPGAIPXANNM-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@H](O)[C@@H](CC)CC(C)C)CCC1	2015634210	QNUOLBBDUMBLLN-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccc(C)cc1C	2016145752	QANJNLGCRJUMJK-OAHLLOKOSA-N	231.383	4.850	0	10	BJAE	
CC(C)C1(CC2(O)CCCCCCC2)CCC1	2017115036	SPNBZGAQPDSHCW-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)CC1(C(C)C)CCC1	2017140562	INPSIIUFHWWEAE-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](NC)C(C)=C(C)C)CC1	2017475918	SDWCRIPRPSZHCN-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)C[C@H]1CC[C@H](C)CC1	2017656221	HASJAADQWLGQLU-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(C[C@H]2C[C@H](C)CCC2=O)CC1	2017775937	IPCDBWZOPRUIAF-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC(=O)c2csc3ccccc23)CC1	2018943972	IIZJJKVYBVAKKO-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@H]1C=CCCCC1	2019506057	RVUWVOFDHUDVEN-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC=C(CC)[C@@H](NCC)C1CCC(CC)CC1	2020964164	FNTJMAMPZUDXJH-AVVWSFFYSA-N	237.431	4.537	0	10	BJAE	
CCN([C@H]1CCCC1(C)C)[C@H](C)CCC(C)C	2022049657	OGFOPUMSCPLTCK-CABCVRRESA-N	239.447	4.712	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1C[C@H]1C1CCCC1	2022497869	DMYVSDXDHWVHBW-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1C[C@@H]1C(C)(C)C	2022556222	DEYMTWSLZQGBMY-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CCCC1CCC1	2023336743	RPTLRFVQQHBBGC-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1CCCC(C)(C)C1	2024092801	VBKOJLRXALFCQS-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CC[C@](N)(C[C@H]2CCCC(C)(C)C2)C1	2024096497	VGCKNJREYFMFCU-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H](NC2CCCCCCC2)C1(C)C	2025016632	CQBBZAXHLSHURU-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](CC(=O)CCC1(F)CCC1)C(C)(C)C	2025238621	URMNNTOVEGVENP-GFCCVEGCSA-N	242.378	4.690	0	10	BJAE	
CC1(CCC(=O)CCC=Cc2ccccc2)CC1	2027738044	VNCYYCPRWTYNHC-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1ccc(C2(C)CC2)cc1	2028605594	OXQQHKJIAGPLPD-ZDUSSCGKSA-N	244.378	4.603	0	10	BJAE	
CNC[C@@]1(CC2CCC=CCC2)CCC[C@@H](C)C1	2028869378	GYHOOWBSANBOCA-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCNC[C@@H]1CCCC[C@@H]1CC1CCC=CCC1	2028875222	FVKCQSYZMZIXHG-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
N[C@H](CCC1CCC1)c1ccccc1C1CCC1	2029075041	OOHAXCYITWHEBL-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@]1(N)CCCCCC1CC1	2029600997	RJDJFZBTODYYNI-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)[C@](C)(O)c1ccc(C2CCCC2)cc1	2031743817	FZIBPRAJRNIZFM-GUYCJALGSA-N	246.394	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1(C2CCCC2)CCC1	2033048976	QZPROTKQEPITCT-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1CCC1(C)C	2033578270	UWIHWORRKFNHQV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCCC3(CCCC3)C2)C1	2034369871	ASQDRSWPLMBNSB-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CC[C@H](C)[C@@H]1C(C)C	2035414359	WXRAGQHEMJLRNF-BJJXKVORSA-N	249.373	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C2=CCCCCC2)CC1	2037094852	UWKHEBFUSXRAMU-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)CCC1=CCCCC1	2037171065	BJXSTCQLDAXHRS-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC1(CCC[C@@](C)(N)[C@H]2CC3CCC2CC3)CC1	2037175865	LOKIYGSGXKTEOR-UMPYDWHISA-N	249.442	4.501	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@@H](c1ccccc1)C(C)C	2037215640	PJPCSZFAMDSQIB-HZPDHXFCSA-N	247.426	4.580	0	10	BJAE	
Cc1cccc(C(=O)[C@H]2CCC3(CCCC3)C2)c1	2037672187	LGFVRBHRIIALTK-HNNXBMFYSA-N	242.362	4.538	0	10	BJAE	
CCN[C@@H](CC[C@H]1CC=CCC1)CC1CCCC1	2038107794	LWGXAUYGEGPHTG-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H]1CCC[C@@H](C)CC1	2039362418	IGBIDYZSWBSOCH-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@@H]2CCC3(CCC3)C2)C1	2043608998	XFSUNLMBWDNSRS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C1=CCC[C@@H](CN2CCCC23CCCC3)CCC1	2045314394	JPVLNDQTKCUWCG-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1[C@@H](N)C[C@@H]1CCC=CCCC1	2045327760	YBLWZEDLQKXHJL-QXSJWSMHSA-N	249.442	4.523	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)C[C@@H]1C=CCCCC1	2045999902	JNMJIRVTCQYSOE-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C(C(=O)C[C@H]2CC23CCCCC3)C1(C)C	2047054683	GFANZJJSYKUKBX-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@@H]1CC12CCCC2	2047062318	MQRUNNIVPOEIJI-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@@H]1[C@H]2CCCCC[C@H]21)CC1CCCC1	2048488696	ODWNRNWFNVTRTR-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@H](C)N[C@@H]2C=CCCC2)CC1	2049423583	RPWNWQONKHRFDR-ZGRYLRDCSA-N	249.442	4.680	0	10	BJAE	
C[C@H](NC[C@H]1CC=CCC1)[C@@H]1CCCC(C)(C)C1	2049527665	DNDQDHKTLSHGHC-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@H]1CC[C@H](C)CC1	2049636555	LMWDCTLBYSELIJ-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@H]1CCCC2(CC2)C1	2049844877	FJSSWCLZIDLSSI-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CNCC1(C[C@H]2CCCC3(CC3)C2)CCCCC1	2049845294	IRPGNPHPPGCASL-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H](CCCCC1CCC1)c1ccccc1C	2050455683	IIOSFBTWUMXAFG-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CN[C@@H](CCCCC(C)(C)C)c1ccccc1C	2050460072	DHXVAYQLXIFIPP-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CN[C@@H](CC[C@@H](C)CC(C)C)c1ccccc1C	2050461157	QWSVTEJIEXDYGR-PBHICJAKSA-N	247.426	4.718	0	10	BJAE	
CNC[C@@]1(CCCC2CCC2)CCCCC12CC2	2053358576	PVKVOGFIJOEDEN-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1(C(=O)C[C@H]2C=CCCC2)CCC2(CC2)CC1	2056538188	SAWSAXGMXCIRPX-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
CN[C@H](C=C1CCCCC1)CC1CCCCCC1	2056875100	CSNGYZDEDYVBOD-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC1(CC)CCC(N)(C=C2CCCCC2)CC1	2056920751	UGRYZRAVQZKEOS-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CC1(CC[C@@H](N)c2ccccc2C(C)(C)C)CC1	2059178856	WIJVWTOPDIDSLE-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CCCC1CC(N[C@H](CC)c2cccc(C)c2)C1	2059494021	SYUNWYSPWZSAQU-BDVYOWHSSA-N	245.410	4.614	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C(C)C)CC1)C1(C)CCC1	2061083682	DWSSYVXGFMZWHL-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(N)(C2=CCC(C)(C)CC2)CC1	2061117505	ZHZORHJOICXPTA-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@](N)(CC1CC(=C2CC2)C1)C1CCCC1	2061672638	UAZRTWANMTYUKQ-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H](C)[C@H](CC1CC(=C2CCC2)C1)NCC	2061721803	BAGJWLIKLXCIOY-DYVFJYSZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)CC1CC(=C2CCC2)C1	2061736355	FVGMDANDDODICT-HIFRSBDPSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2C[C@@H]3CCC[C@H]3C2)C1	2063490042	HYCPUUULZQCMLT-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2CC3(C2)CC3(C)C)C1	2064132276	JBWQZVNNCKIBPN-GXZXJKLZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H]1CCC[C@H]1CC12CCC(CC1)CC2	2065336035	WKGFPCGCYSOFFY-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CN[C@H](C)C12CCC1(CCCCCC1)CC2	2065896902	HXJRXFBBLNOTTI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C)c1ccc(C)cc1	2065990774	QVCKSBGFDWMWBU-RDJZCZTQSA-N	247.426	4.860	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCC1	2068773507	WROZFWQGRNLTBC-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@@H]2C1	2068800932	MJCNZJSKMOJSLB-JVFQJLMCSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CC[C@@H](N)c2cccc(C)c2)CCC1	2069341453	FNMDMFMRICZRRU-MRXNPFEDSA-N	245.410	4.745	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C1(CC2CC2)CC1	2069518077	UNKCTRRCKCTJRR-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1OC[C@@]12CCC[C@@H]1C2	2070918335	PDVRIKJMZNAVGK-DYVFJYSZSA-N	244.378	4.553	0	10	BJAE	
CCC1CCC([C@](C)(N)C[C@@]23CCC[C@@H]2C3)CC1	2070925812	JPMUVFHQRFISNQ-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CC1CC2(C1)CC21CC1	2072228127	PIXSXFNNZDWVNH-GNHJJJEISA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@@H](N)c2ccccc2)CC1	2072804910	XJQCJMOCRSXOCA-BFYDXBDKSA-N	245.410	4.683	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)C=CCCCC2)CC1	2072870947	JAIUPEZVTDDXAQ-OFLPRAFFSA-N	249.442	4.811	0	10	BJAE	
C[C@H](NC[C@]12CCCC[C@@H]1C2)C1CCCCCC1	2074044424	YTXQGFGIFLCVAZ-USXIJHARSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@]23CCCC[C@@H]2C3)C1	2074114283	QWACQSFJGDOOIC-RUCLQGLUSA-N	248.410	4.598	0	10	BJAE	
C1=CC2(CCCCC2)N(CCC2CCCCC2)C1	2074896644	QVQKJWJVOMDNEX-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CCc1ccccc1CN(C)[C@H](C)CC(C)(C)C	2075208945	ABAXXIPUBPHUPP-CQSZACIVSA-N	247.426	4.506	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1	2077357254	DKQPQGQBJYLXBV-OFQRWUPVSA-N	243.394	4.540	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@H]2C[C@H]2C2CCCC2)CC1	2079852181	PCLSZTUSCHVHAB-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H]1CCCC(C)(C)C1	2080217260	GKZDVFIHRUXRAI-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCC)C1=C[C@H]2CC[C@H]1C2	2081677479	MSGKGCGGHQZQQL-IVSAIRAKSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1cccc(CC(C)C)c1	2081780300	PAPRRALOTMTWEG-KRWDZBQOSA-N	245.410	4.502	0	10	BJAE	
CC[C@H]1C[C@@H]2CC[C@H](C1)N2CCCCCC1CC1	2084510833	LOVPNFDBYPUMHP-XGBSXSJOSA-N	249.442	4.610	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2084987968	FNERJXOZLJKPCZ-SGALNCENSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(C[C@@H]2CCC=CCCC2)C1	2085308432	REEFEORNEMMAET-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CC2)CC1(CCC)CC1	2086345647	GLRUPJAUEQGKEQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CCCCC1CC1	2211116957	CBUGSWOXMVFDEV-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CC1(C)CC(C)(C)C1	2215385451	IVSNOKFSLGJSBM-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@]1(N)CCCCCCCC1CC1	2216858172	BCIUYCHEZKYUID-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](NC[C@H]2C=CCCCC2)C1	2218045536	GLMDPSCEOZFNDF-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1C[C@@H]2CC[C@@H]2C1	2218724795	KICRGMHAQBKWBM-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](CC=Cc1ccccc1)NC	2219090042	HZOJALAFJXABMD-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
CCC[C@H](C=C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)CN	2222955536	UQMBDKUAFSSFEO-WCXIOVBPSA-N	249.442	4.524	0	10	BJAE	
C[C@H](C[C@]1(CNC2CCC2)C=CCC1)C(C)(C)C	2223563791	XJLPUDRUUORCIB-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCCCCCC1(CNC2CCC2)C[C@H]2C[C@@H]2C1	2223592227	FRHUOPJWUKYLJK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CCCC1(CNC2CCC2)CC=CC1	2223603509	ZLXHRBHBESMJKK-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C(C)=C(C)C)c1ccc(C2CCC2)cc1	2223699158	VUGJCICOQGCUEX-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1csc(C)c1C	2242619695	DMTNWDSXWNSQGH-TZMCWYRMSA-N	240.412	4.615	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)c1cc(C)cs1	2244782995	OCHYUDNNIIUYFW-GXTWGEPZSA-N	239.428	4.533	0	10	BJAE	
CC[C@H](CCN)CC[C@@H](C)CCCC(C)C	2244868942	TUTUPKNEGOREDT-GJZGRUSLSA-N	227.436	4.604	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)[C@@H]1CCCCC1(C)C	2247442278	HTFIQIYKOPAVMK-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC1([C@@](C)(O)CC2=CCCCC2)CCCCC1	2247460805	GGEDFVFVCFAFFQ-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(NCCCCC[C@@H]2C[C@H]2C)c1	2248866615	QNCKTXHUSDZTTR-HUUCEWRRSA-N	231.383	4.623	0	10	BJAE	
CCC[C@](N)(CCCCC[C@@H]1C[C@@H]1C)C1CC1	2248879082	LHOIVFZIQODASM-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C(=O)CC(C)(C)C(F)(F)CC	2250357698	XHTUIKSXNDJAFT-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1ccccc1C(C)C	2250367901	BDCXAGDKHDHDEQ-CZUORRHYSA-N	234.383	4.670	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)C1(C)CCC1	2250469305	NJBICNYVVCBRFM-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@@H](O)[C@@H]1C	2250481472	MBIHZGWARIIRBE-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)CCNCC[C@H](C)CCCC(C)C	2250528819	OFAMGGADQWNNPW-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCCCCC[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251714358	WSEFAUSZZJVQNC-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC1(C)C[C@@H](CC[C@H]2CCCCC23CC3)CCN1	2253887520	XCTPKRLFLLLESP-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCC1)CC1CC2(CCCC2)C1	2254105887	HYBNNUJJTAGYIP-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1CCC([C@@H](N)CC2CC3(CCCC3)C2)CC1	2254110851	FXYHYCREYYUXDH-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
NCC1(C[C@H]2CCC23CCC3)CCCCCCC1	2254816052	DOIFLTDFKNRSJL-OAHLLOKOSA-N	249.442	4.646	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@]1(C)CC=C(C)CC1	2255065214	VDGBPCRYANIPNI-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@@H]1CCCC12CC2	2255242018	BVJZJHVGIZOVNB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(OCC[C@@H]2CCCC23CC3)c1C	2255310680	LLFILMWAWXGIRK-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(CC[C@@H]2CCCC23CC3)C1	2255330396	MZDINDZOBZIRKN-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN1CCCC12CCCC2	2257300689	FOXZTFHBCXIDHH-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
C[C@]1(CN)CCC[C@@H]1CC[C@H]1CCCCC12CC2	2258813394	JAXSSDKFFYNNGK-BZUAXINKSA-N	249.442	4.502	0	10	BJAE	
C[C@]1(CN)CCC[C@H]1CC[C@@H]1CCCCC12CC2	2258813395	JAXSSDKFFYNNGK-HRCADAONSA-N	249.442	4.502	0	10	BJAE	
Fc1ccc(C2CC2)cc1N[C@@H]1C=CCCCC1	2259109438	YTUFXCRDQZHBEG-CQSZACIVSA-N	245.341	4.614	0	10	BJAE	
C[C@H](CC(=O)[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2260518946	WGUNBRKBOZTLCW-FRFSOERESA-N	248.410	4.742	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@]12CCC[C@H]1CC2	2260658355	OTCYUEVDRBHISD-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
C[C@H](Nc1cccc(C2CCCC2)c1)C1CCC1	2260738453	UBWSKYCPPUWXPQ-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)C[C@@H](CC)C(C)(C)C	2298134860	IOEWPNYSMABIGU-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CC[C@H]1CCC[C@@H](C)C1	2298255836	AGLRYFPKWDPJJH-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@]1(C)NCC[C@@H]1CCCCCCC1CC1	2299981568	PNEHUZWTCLFRPM-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC[C@H](CNC1CC1)C(C)(C)C	2300677147	WVCXVZKLYRIGTD-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CC12CCCCC2	2300689879	CDRPPWOWRFXPOO-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(=CC[C@@H]1CC[C@H](C)C1=O)CCCC(C)C	2300892661	GWYDHCLGIVWQFZ-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
O[C@@H](CCC1CCCCCC1)CC1CCCC1	2301134819	CQBFXHQLYOHSSY-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(N)CC1CCCCCC1	2301143216	RNLBFXHIXBEOQG-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N[C@@H](C)C1CCCCCC1	2301829168	NMRAPYKNQLTTCT-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@@H](C)[C@@H](C)C(C)C	2301841647	WOPBCHMCBOYLOB-CAOSSQGBSA-N	242.447	4.738	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)C[C@@H](C)C1CCCCC1	2301945558	NLLBTPSSJPBSJS-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](O)(CCCC1=CCCCC1)C1CC1	2302325319	GJZALNRWGAJBKN-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CC[C@H]1C(C)(C)C	2303446142	VQLRLJAWXKAZIF-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)c1ccsc1	2303575218	IDMAGMIHPWGXEM-UKRRQHHQSA-N	249.423	4.535	0	10	BJAE	
CCC[C@@H](CC)C[C@](N)(CC)C1CCCCC1	2307816343	DFHXIKGQAHIERE-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)C1(C)CC(C)C1	2307891914	BLQAKUYOZXFUDY-LVDPKSTMSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@H](C)C[C@H]1NCC	2307898599	LFSODVJEOJOKDA-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1[C@H](N)C[C@H]1CCC=CCCC1	2308937517	SZLZZAFBMDFSPT-YLFCFFPRSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2310377610	JKPOXKKABIFPGE-KCYZZUKISA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CC[C@@]12CCCC[C@@H]1C2)CC1CCCCC1	2311145469	AOPWURKUQOBPBO-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC1(CCC[C@H](N)[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316694549	STYGCVQUFGNDSG-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
C[C@H](c1ccccc1)[C@H](O)CC1CCCCCC1	2316866510	XHNRXSKWPYTDFG-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317159849	XNNQTXZHCHZWFM-MZBWOGCUSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC[C@@H](N)[C@@H](CCCC2=CCCCC2)C1	2318539646	NEDNCMILTRCQOE-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
CCC1(CC)CCN(CCCC2=CCCCC2)C1	2318577915	ZWMHTHSGRGMORJ-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
C[C@@H]1C[C@@H](C)[C@@H](C)N(CCCC2=CCCCC2)C1	2318583739	SNUPWXSBGDOZND-BZUAXINKSA-N	249.442	4.633	0	10	BJAE	
CCNCC1(CCCC2=CCCCC2)CCCC1	2318591886	CSJNRHLEIQYZKN-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@@H]1CC12CCCCC2	2318881933	XZDHGJHGSJYYDA-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC[C@H]1CC[C@H]1C1CC1	2319726304	ITVYWUATEIXXED-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1[C@H](N)C1=CCCCCCC1	2320215846	RVBUFTVTPSIVDV-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCC(C)=C(C)C1	2320269119	XJWCMKYDIHYBCQ-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CC1	2320409695	XKORXTRHLWGTAX-AESZEHBQSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)c2cc(C)oc2C)CC1	2320423363	LURSIEINTBMJES-CQSZACIVSA-N	246.350	4.606	0	10	BJAE	
C(CCCC[C@H]1CC2(CC2)CN1)CCCC1CC1	2321252382	GGMFXUKBRNGLRT-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CC[C@H]2C2CCC2)C1	2321634290	QFHWKQUACVDXNL-KMFMINBZSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@@H]3C[C@H]32)c1F	2327807688	JZKNSUOGWUWBPY-MRVWCRGKSA-N	247.357	4.550	0	10	BJAE	
CC(C)CCCCCCN[C@@H]1CCCC[C@H]1C	20002181	UFHOQQTWEKTGEE-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CNc1ccccc1C(F)(F)F	20546396	YGWDIGPKMRFKKX-JTQLQIEISA-N	245.288	4.554	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C[C@H](C)CC(C)(C)C)c1	36889575	KVMWCQOJHUODRS-BBRMVZONSA-N	247.426	4.766	0	10	BJAE	
CCOC(CC[C@H](C)CCCC(C)C)OCC	43502938	GRHKBSIHANYDNG-CQSZACIVSA-N	244.419	4.628	0	10	BJAE	
CC[C@H](N[C@H](C)c1ccc(C)o1)C1CCCCC1	52334858	BHAVASBGOLXPGE-HIFRSBDPSA-N	249.398	4.598	0	10	BJAE	
CC[C@H](N[C@H](CC)c1cccs1)c1ccco1	54106473	GWFMWAVDTDYILT-NWDGAFQWSA-N	249.379	4.533	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccccc1COCC	69376618	VLEIXQLUCLEXNL-OAHLLOKOSA-N	249.398	4.604	0	10	BJAE	
CC1(C)CCC(N[C@H]2CCCC(C)(C)C2)CC1	79979355	HVHYUFJSZDARNZ-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(-c2c(C)cccc2Cl)cc1C	85389122	VQHBVBJMMWCFIT-UHFFFAOYSA-N	230.738	4.932	0	10	BJAE	
CCCN[C@H](C)c1ccc(Cl)c2ccccc12	93656116	AZFGBOLMWFRXBI-LLVKDONJSA-N	247.769	4.554	0	10	BJAE	
CCc1ccc([C@H](CC)N[C@H](CC)C(C)C)cc1	103973015	OJSKUKUUAIIAJO-SJORKVTESA-N	247.426	4.724	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1ccc(O)c(C)c1	107487717	RPFDWTZQHMKWKI-FMFIFOJESA-N	218.340	4.551	0	10	BJAE	
C/C=C\CCc1cc(Cl)cc(Cl)c1	107500596	DLBJPILETJMTAI-IHWYPQMZSA-N	215.123	4.502	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(N)CCCC[C@@H]1C(C)(C)C	109704143	MHORASMJNLOPPW-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCC[C@H](CC)C1	127910237	STLUXSYDEYMZHQ-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](NCCCCC(C)C)c1ccc(C)cc1	134296608	KYYUDPVVUIFCRJ-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
Cc1ccc2ccccc2c1[C@@H](N)CC(C)(C)C	160842402	DLEQTAXDVUYWFK-HNNXBMFYSA-N	241.378	4.584	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C[C@H](C)CC	162473016	NEQPCVNHMWTSRH-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(C(O)(CC(C)C)CC(C)C)cc1	165339958	JVFSGIASZYQQQT-UHFFFAOYSA-N	248.410	4.529	0	10	BJAE	
CCCCCC1CCC(C(=O)C(C)(C)C)CC1	201698704	NRIZODSVKBUBHU-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1Nc1cccc(Cl)c1	221641931	DIMKRGBNZWKYGN-SUNKGSAMSA-N	237.774	4.577	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(O)C2CCCCC2)C1	229118755	CNOFYOYVXOICOS-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCC)c1cccc(C)c1	229299978	YGJQQBISQAJQBS-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
Cc1ccc(N[C@@H](C)CC2CCC2)c(Cl)c1	229672660	PMGPEEUEXSIEHY-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](N)(CCC(C)(C)C)C1	230790056	ZIWOYHWIVPFUSP-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CC2CCCCC2)C1	231016109	QFKNIBLYZRNVGR-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1NC1CC(C(C)C)C1	232541616	PHDKRYPCNKJVPF-UHFFFAOYSA-N	231.383	4.657	0	10	BJAE	
CCC[C@@H](C)Oc1ccc([C@@H](C)CC)cc1	233281925	LJXGDYJAPNAAEU-QWHCGFSZSA-N	220.356	4.768	0	10	BJAE	
CC[C@@H](c1c[nH]c2ccc(Cl)cc12)C(C)C	233992817	SBOMRJUXOGKJLW-LLVKDONJSA-N	235.758	4.971	0	10	BJAE	
C[C@H]1CC[C@@H](c2c[nH]c3c(Cl)cccc23)C1	235703487	ILWDGWITVWIDGB-VHSXEESVSA-N	233.742	4.725	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2ccc(C)c(C)c2)C1	235715840	DPPCZMVTNZSPRU-MLGOLLRUSA-N	243.394	4.708	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@@H](C)[C@H](C)C1	250834630	UAUYAJXIXOZBTN-LVQVYYBASA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)c1sccc1C	300887553	HBIAFWKHZARXDK-DGCLKSJQSA-N	239.428	4.533	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)c1ccc(C(C)C)cc1	302272581	DEVOVMPVFKLYRN-PBHICJAKSA-N	247.426	4.882	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@@H](C)CC2)ccc1C	302334742	SSBBMSWWFOIXCA-CZUORRHYSA-N	245.410	4.938	0	10	BJAE	
CCc1cccc2ccn([C@H]3CCC[C@H](C)C3)c12	310594552	YALZKMIGIYZBDH-BBRMVZONSA-N	241.378	4.955	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)C(CC)CC	310965218	QJWQFUFVLRGFIQ-QGZVFWFLSA-N	247.426	4.897	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC12CCCCC2)[C@@H]1C[C@@H]1C	322219883	WWDOZNYGVVDAHW-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H](C1CC1)C(C)(C)C	324230649	HASIUZMHDBYUKG-AEGPPILISA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H](CC/C=C\c1ccccc1)CC(C)C	324263291	JTXPCRFSNALELB-UEOUDEGLSA-N	245.410	4.504	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@@H](C)CC(C)C	380114446	ALYWTTCJFWRSGB-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1ccccc1CCC	384502056	PNSZYUGGGUHHEG-YOEHRIQHSA-N	248.410	4.889	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1ccccc1CCC	384630053	JWYMIGIAHVQUMS-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H]2CCCC[C@H]2C1	388708741	OYWYGOVMSXPTQZ-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
FC(F)c1cccc2cccc(C(F)F)c12	390057263	PBJMXZKBNZZELL-UHFFFAOYSA-N	228.188	4.715	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CCCC12CCC2	394767054	QUZWEZPTGZPOMR-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
CCCc1ccc([C@@H](O)C(CC)(CC)CC)cc1	395238674	SNDKMTXLWVSSEX-MRXNPFEDSA-N	248.410	4.889	0	10	BJAE	
CSc1cc(F)cc2sc(C(F)F)cc12	396248218	PXFGFAXATWRSDT-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@H](C)C(C)(C)C	399131147	TZALOZBWTVQXOL-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)C1CCCCCC1	402147187	LCPOFSSUCWHLNW-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1CC=CCC1	402322527	LECBYOISJDGPML-HNNXBMFYSA-N	244.378	4.854	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)CC(C)(C)C1CC1	405771234	ZWDMBLHDFGICST-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)Nc1cc(CC)ccc1CC	689595734	LAWYZOSAGCTDKY-ZDUSSCGKSA-N	233.399	4.802	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)CC1CCCC1	689793808	UXQIWFQSJIRQAC-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CC(C)CC[C@@H](N[C@H]1CCC12CCCC2)C1CC1	693792246	CYHZOHIICKNLGU-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC1(O)CCC(C2CCC2)CC1	696070369	YRGABYBXLOJIFZ-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](C[C@@H]1CCC[C@H](C)C1)NC	696247050	FMMSXIFRMWXGLY-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](CC(C)(C)CC)NC	696248677	KOMOVJFGDFYMJJ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCc1ccc2ccccc2c1F	697992246	NKLAYZDXAKXZNT-UHFFFAOYSA-N	228.310	4.878	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC[C@@]1(C)O	699689405	ARLMDTZURFHMAX-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1C[C@@H]1C(C)(C)C	699994069	XZGHFTFMWJJOKC-AJNGGQMLSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](c1cc(C)cc(C)c1)C(C)(CC)CC	701207333	UWCINOSJHWUBMI-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
Cc1ccc(Cl)c([C@@H](O)CCCC(C)C)c1	703986376	DVYFSGNIABLMMA-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(C)(C)CCNC(C)(C)C	704862672	ZECJRIOTMWASDG-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1coc(C)c1)C1CCCCCCC1	706336416	AKNZVOYQLRWVGD-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CCCC23CC3)c1	706515120	RPLPYGCEYLQXBS-MRXNPFEDSA-N	243.394	4.556	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@H](C)C(C)(C)C)NC	711108839	LYLNCNZBNAVXQW-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C(C)C)c1ccccc1	713172106	CHNNVNJJMSAVFQ-INIZCTEOSA-N	247.426	4.800	0	10	BJAE	
CC(C)C1CCC(CNC2CCC=CCC2)CC1	718051362	GRQITVQWSQFWQK-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
Cc1cc([C@@H](C)NC2CCC=CCC2)c(C)s1	718128263	HUNLYNWZYAKCCN-GFCCVEGCSA-N	249.423	4.514	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@H]2CC[C@H]1C2	718531930	YHHPGIFSCSIMFB-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](CC1CCCCC1)[C@H](CC(C)C)NC	720423661	GSVURYXIABBWOY-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NCC)[C@H](CC)CC1CCCCC1	720427945	WMHOKFGDCSEJHM-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)C1(C)CCC1	720775241	YUBCYUYKDSUCFQ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
c1ccc2c(SCCCC3CC3)nccc2c1	1641233176	LDGSPUSIGUDCKC-UHFFFAOYSA-N	243.375	4.517	0	10	BJAE	
C[C@H]1CN(CCC2=CCCCC2)c2ccccc21	1654793595	RDRUFPPTTGDINJ-AWEZNQCLSA-N	241.378	4.501	0	10	BJAE	
CC(C)C[C@@H](C)S[C@H]1CCc2ccccc2C1	1656716806	AYDVQQNCCLZCOA-CJNGLKHVSA-N	248.435	4.712	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@H](CC)CCC)s1	1900668160	LSLLFNUVBQUGEF-RISCZKNCSA-N	239.428	4.527	0	10	BJAE	
CC(C)=CCCc1cc(Cl)ccc1C	1900780890	VIYFYQDVRASBQB-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H](C)[C@H](C)C(C)C	1901622854	CSHNLWLZKSGGBS-VXGBXAGGSA-N	239.790	4.741	0	10	BJAE	
CCc1cscc1N[C@@H]1CCC[C@@H](C)CC1	1902390341	JMJFYVSJVQYSSA-DGCLKSJQSA-N	237.412	4.691	0	10	BJAE	
Cc1cscc1NC[C@@H]1CC[C@@H]1C(C)(C)C	1902740785	ZFJQTNVLELFXSS-RYUDHWBXSA-N	237.412	4.541	0	10	BJAE	
Cc1sccc1OC[C@H]1CCCC(C)(C)C1	1904942995	QTINIVWNZYXIGC-LBPRGKRZSA-N	238.396	4.652	0	10	BJAE	
CCC[C@H](CC)COc1cc(Cl)ccc1C	1905447314	WLWZOETVOOIVEL-LBPRGKRZSA-N	240.774	4.854	0	10	BJAE	
CCCC(=O)CC[C@@H]1C[C@H]1C1CCCCCC1	1910796700	XPKAEAMHIXXNPI-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
CCC(=C[C@@H](C)c1ccccc1)CNC(C)(C)C	1911532878	WELKXXLYAJGEBP-CQSZACIVSA-N	245.410	4.515	0	10	BJAE	
CC(=CCl)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O	1911588414	DSRQZWPRCWPXOR-VXGBXAGGSA-N	242.790	4.551	0	10	BJAE	
C=CC=CCCCc1ccc(Cl)cc1F	1911782721	KDASDBWNHRNDFJ-UHFFFAOYSA-N	224.706	4.544	0	10	BJAE	
CCCC=CCN[C@@H]1CC[C@@H](C)c2ccccc21	1914672532	NAPLUTWKMGMISS-RHSMWYFYSA-N	243.394	4.571	0	10	BJAE	
CC[C@](N)(CC1(C)CCCC1)c1ccc(C)cc1	1919459027	QIYFIPSSWLBCLH-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H]1C[C@H]2CC[C@H]1C2	1920182309	IUNYXJHBTFDXBB-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC[C@H]1CC1(C)C	1921559058	UFAPHHAFCORNOQ-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@H]1C=CCCCC1	1925779381	YKRLNFWIBRFCTN-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
CC(C)(CC[C@H]1C=CCCCC1)C(F)F	1925878366	AIPAMYPPMGVBHZ-NSHDSACASA-N	216.315	4.804	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)[C@H]1CCC(C)(C)C1	1925916173	SSICGPIURODMOV-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1NC[C@@H]1C=CCCCC1	1925943048	PECHYPZZNJSFQZ-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)C(=O)CCC[C@H]1CC1(C)C	1935942204	ZNVURCBYHNMMSL-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](O)CCCC1(C)CC1	1940870285	SBHFHWNXVRYWRC-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@H](CC(C)C)C(C)C	1941266675	INOAZBZQTDDVLF-CVEARBPZSA-N	241.463	4.719	0	10	BJAE	
O[C@@H](CCCCCC1CC1)C1CCCCCC1	1941576842	VSGWSHTUKAHHHC-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](CC(=O)CCCCCC1CC1)C(C)(C)C	1941581170	HZDCBSQCYZRBPS-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
C[C@H](CCNC(C)(C)C)CC1CCC=CCC1	1941792951	DQBPGGFGJMHHJB-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@]12CCCC[C@H]1CCC2	1944141740	JNZQQNASKZDLPE-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](N)(CC)CC1C[C@H](C)C[C@@H](C)C1	1944197265	ANHNUUXTPHAYHO-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC1C[C@H](C)C[C@@H](C)C1	1944204753	RTXCTYUEHZBGOW-HGTKMLMNSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC(=O)C(C)(C)C1CCCC1)C1CCC1	1944640617	GJUVMNVEVFHQMC-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)C)C(C)(C)C(C)C	1944666547	SEVKFRPKXUXUEO-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](CC)C[C@@H](C)CC	1947448451	HOXMIZSDSAIKSW-FZKCQIBNSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCC[C@@H](CC(C)C)C1	1949088463	VJXWXMXLSRLPKH-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
FC1(F)CCC[C@@H](C[C@@H]2C=CCCC2)C1	1959889003	JWEQRCTZUZTKHY-NEPJUHHUSA-N	214.299	4.558	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NCc1ccccc1C(C)C	1969916709	CZNOCNRCPIWTFP-CABCVRRESA-N	247.426	4.724	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1CCC2(CCC2)C1	1970302524	KKIGFGVJBYLXHB-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	1970676865	ASCUWUKWUMVMLA-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CCC)Nc1cccc(C2CC2)n1	1971390332	VUXJTWCUIKQCPW-CQSZACIVSA-N	246.398	4.730	0	10	BJAE	
CC=CCCC[C@H](O)C[C@@H](C)CC(C)(C)C	1984607725	QIAXLRANTSKVOQ-KGLIPLIRSA-N	226.404	4.556	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cc(C)cc(C)c1	1989818363	HFPOWHBJNDFMAS-CYBMUJFWSA-N	219.372	4.540	0	10	BJAE	
CCC/C=C/CN[C@H]1CCCCC[C@@H]1C(C)C	1995875453	SUJRRCXDPOHGLK-ZLAMNEIASA-N	237.431	4.537	0	10	BJAE	
CC(C)C(N[C@H](C)C1(C)CCCCC1)C(C)C	1995989237	VRGRAUPHDVOILM-CQSZACIVSA-N	239.447	4.616	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)C1(C)CCCCC1	1995992269	WNWJCXRFASHIPB-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
C[C@H](Nc1ccccc1SC1CC1)C1CCC1	1996538016	NHVUHJGPGDVWMO-NSHDSACASA-N	247.407	4.542	0	10	BJAE	
CC(C)CCCN[C@@H](C)C1CCC(C)(C)CC1	1996553385	PFFMPPNNFCIKLW-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CN(C)C1CC(C)(C)C(C)(C)C1	1997767818	KTCSRQSFTPXQQD-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCC2(CCC2)C1	1998692953	IJUCUFRBOWKOED-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C(=O)[C@H]2CCC[C@@H](CC)C2)CCC1	2000195408	RURWUGSUNHKRAG-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CCC[C@@H]1C	2000196551	KEVMQTFGIMSDGZ-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C1(O)CCC2(CCCCC2)CC1	2000279109	FTTDOLFTUBDCLS-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)C1CC(C(C)(C)C)C1	2002300512	ULYAPUIFFKAONQ-WOICTCIZSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@]1(CNC)CCCC(C)(C)C1	2002992418	BOGVDPBSOCZUOD-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1CCCCCCC[C@@H]1N	2003119256	UPXZAYLZNLTQFZ-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@H]1CCC2(CC2)C1	2003228462	SVXQGMGYRDQWTG-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@@]1(C)C=CCC1	2003328901	HAYFJCCXIHKLDR-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
Cc1ccccc1C(=O)CCCCC(C)(C)C	2003655475	RNBDQRAJOUSQRC-UHFFFAOYSA-N	232.367	4.784	0	10	BJAE	
CCC1(C)CCC(N)(CCCC(C)(C)C)CC1	2004342600	UKACFTLVFMRLPS-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCCC[C@@H]2C)CC1	2004343027	YHBOTEZVFRLAGD-UIDBIOKJSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1CCC(C)(C)CC[C@@H]1O	2009420581	PXTZLRSVZSTZDO-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
CC1(CC[C@H](O)c2cc3ccccc3s2)CC1	2009534807	JQTAWTAXQMOFBM-LBPRGKRZSA-N	246.375	4.515	0	10	BJAE	
CCCC1CC(N[C@H]2CCC[C@@H](CC)CC2)C1	2009714131	LSXPQYIBFSHBRZ-CIDNJEQPSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@](C)(O)C1=CC[C@@H](C(C)(C)C)CC1	2010721635	LYRRFHHZMNARNI-CZUORRHYSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)CCC[C@@H]1C[C@@H](O)CC2(CCC2)C1	2012058216	GLBIEYHMYKRSBT-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CO)C1CCC2(CCCCCC2)CC1	2013204106	FBPIFEDVIPFAMU-AWEZNQCLSA-N	238.415	4.536	0	10	BJAE	
CC(C)CCCCN[C@@]1(C)CCCC(C)(C)C1	2017619578	SUBHUJYVSXZAFJ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(NC[C@H]2CC[C@H](C)CC2)c1C	2017721785	LMDOKMCUFMKBLY-NNUKFRKNSA-N	231.383	4.542	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H](CC)[C@H]1C	2018138278	FFBRWPJNMQFNHL-FXUDXRNXSA-N	239.447	4.760	0	10	BJAE	
CCCC1(C[C@@]2(O)CCCCCC2(C)C)CC1	2018965653	SPTXLSAKNOJHMB-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)CCC1CCCCC1	2019182455	SGXLLADPMHVRSI-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@H]1[C@H](CCC(C)C)CCCC1(C)C	2020363330	ICXZEFOCFFUYCK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H]1CCCC(C)(C)[C@H]1NCCC	2020364049	NVGUMHCACPJLFF-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(F)(F)CCCCC1(CN)CCCCCC1	2023291749	FVRMOXUEVMKFKZ-UHFFFAOYSA-N	247.373	4.501	0	10	BJAE	
CC(F)(F)CCCC[C@@H](O)C1CCCCCC1	2023309587	AGHUMLFEKSMTEA-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@@H]1CCCC(C)(C)C1	2024097307	XFJOJPSCURUIOY-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H]2CCC[C@@H](C)C2)C1	2025426732	KNTCKLFJPAXSON-FEWQNLEASA-N	236.399	4.598	0	10	BJAE	
C1CCCC(CNC2(C3CCCC3)CC2)CCC1	2027377988	DOQSVFYXGQVMCE-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)CC[C@@H]1CC1(C)C	2027817676	FRUSUJINLINCJI-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C[C@](C)(F)c2ccc(N)cc2)CC1	2027937297	YHDXJXLAYXRCDJ-ZUEPYMLJSA-N	249.373	4.670	0	10	BJAE	
CN[C@H](c1ccc(C2CC2)cc1)[C@@H](C)C(C)(C)C	2028606224	UNSNIXPXGWHCJT-WBMJQRKESA-N	245.410	4.507	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)[C@H](C)CCC(C)C	2029823865	JPIGDHFNDUCGHM-DJIMGWMZSA-N	248.410	4.613	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@@H]1CCC[C@@H]1C	2032508360	CQANVFNXKLKEGY-GRDNDAEWSA-N	246.394	4.670	0	10	BJAE	
CC(C)CC1(C(=O)CC2[C@H]3CCC[C@H]23)CCCC1	2032790565	PCKBCIIZBSXYEM-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H]2CCC(C)(C)C2)c1	2033394628	PGSYHMKGGAZOKT-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C12CCC(CC1)C2(C)C	2033452731	FITHJHPAVHWTDQ-PEUXKQIOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](N[C@H]1CCCCC12CCC2)C1CCC1	2035887440	UWRDGJZXTRUJEI-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)c1cccc(C2CC2)c1	2036353627	FBMXHDCALCCPEW-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H](C)c2ccccc2)C1	2036487765	WLOOYKNERTVVNW-KTAKPFMOSA-N	244.378	4.576	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@@H]1C[C@H]2C[C@H]2C1	2037146459	XWGRFFFZBFIKCH-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@@H]2CC[C@H](C)C2)cc1	2040138543	PFGQYIWBQSAMIM-JJRVBVJISA-N	245.410	4.636	0	10	BJAE	
CC(C)=C(C)CCN1C[C@H](C)C[C@@H]2CCCC[C@H]21	2041879562	CSLZIZUAHMCEAJ-HYVNUMGLSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@@H](C1CCC(C)CC1)[C@H]1CC=CCC1	2042018033	AQJMVDNLXHXOHG-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H]([C@@H]1CC=CCC1)[C@H]1CCC(C)(C)C1	2042025580	WKBBTHXYYJDNOY-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1ccccc1C1CC1	2042274248	WQHIOHKPVFKLHK-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
Cc1ccc2ccn([C@H]3CCCC(F)(F)C3)c2c1	2045451358	UNICWBOFXUHYTJ-ZDUSSCGKSA-N	249.304	4.700	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2CC3(CCCC3)C2)C1	2045458930	YBGBCUGTOLDPFK-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
N[C@]1(C[C@H]2CC23CCCCC3)CCC=CCCC1	2047005993	XKTGHVUMYRHVRW-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
N[C@@H](C[C@H]1CC12CCCC2)C1CCCCCCC1	2047021554	XRCPIAARRPDBTG-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2CC23CCCC3)C1	2047056537	UKGRZAKSAALYBC-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H]2[C@H]3CCCCC[C@H]32)C1	2048374636	ZBDUDPCVCTYDPI-LBKYZSNHSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(CCNC2[C@H]3CCCCC[C@H]23)CC1	2048386452	BBYHECCRLAHIBH-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCC(C)=C(C)C)c1ccc(C)cc1	2050426884	QOOMZJHZVXDNKK-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
Cc1ccccc1[C@H](N)CC[C@H]1CCC[C@H](C)C1	2050455187	BWXFYRHMRMUMHG-YSVLISHTSA-N	245.410	4.601	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@H]1CCCCC12CCC2	2053414916	DHITXKXENMYHHG-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CCCc1ccccc1[C@H]1CC(=O)C[C@@H](CC)C1	2055126373	XBDPVXLLVAAQQU-DZGCQCFKSA-N	244.378	4.502	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H]2C=CCCC2(C)C)C1	2055530968	DJXFXHKEEBTEFX-PMPSAXMXSA-N	249.442	4.536	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccc(CF)cc2)cc1	2055674087	NQLQXGOGKPNFRL-CYBMUJFWSA-N	243.325	4.638	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)C1(C2CC2)CCCC1	2057604148	OGSSXOSXXCYXJQ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1CCC[C@@H]2C[C@H]21	2059224871	GVALMKBJFWVQPH-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(NC[C@@H]2CCCC23CC3)C1	2059389888	HXJKGBPIILUORX-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
O=C(CC[C@]12CCC[C@@H]1C2)CC1CCCCCC1	2061604844	CECWJKWMCQXKEK-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](CC1CC(=C2CC2)C1)NC	2061737268	PIJSRWFOHOIBNN-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](NCC)CC2(CCC2)C1	2063629346	ZDBDZGIORDXYIO-BYQDXSGLSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1(C(C)(C)C)CCC1)[C@H]1C=CCCC1	2071947747	BXGZEXXXMHMLSL-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C[C@H]1CNC12CCCCC2)C1CCCCC1	2072190212	UDGQGPXPOFRWRU-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@H]2C[C@H](N)C23CCC3)CC1	2072813589	VJWACTLHZWFKQL-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@](N)(CC)c1ccc(C(C)C)cc1	2073339530	HMSRPXNIIMDWTL-KRWDZBQOSA-N	247.426	4.954	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@]12CCCC[C@H]1C2	2074038722	QERVFZWXHIUISD-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H]1CCNC2(CCCCC2)C1	2074140540	BZUYXLAFWGSNPM-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CC(=O)[C@H](CC)c2ccccc2)CC1	2074602233	YQPQQYASAKXWBF-OAHLLOKOSA-N	244.378	4.720	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@H]2CC23CCCC3)CC1	2074641803	MXZSHZDIINMEGJ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(CN(C)[C@@H](C)C(C)(C)CC)cc1	2074920058	BGOVOQNJBFMPTG-AWEZNQCLSA-N	247.426	4.506	0	10	BJAE	
CC(C)(C)C1CCC(N2CCCC23CCC3)CC1	2075228480	DIZTZEPQBFLBRC-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1CCCCC12CC2	2077196567	MTICKJWGDTYGMR-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1ccc(C(C)(C)C)cc1	2079479763	ZROOGGVQBBEAHY-UKRRQHHQSA-N	244.378	4.603	0	10	BJAE	
Cc1ccc(-c2cn(C(C)C)nc2C(C)C)cc1	2080713939	FAHHKJCVCZXBMR-UHFFFAOYSA-N	242.366	4.563	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2081790701	YPTOKVFLIPDLIH-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1C[C@@H](C)C[C@@H](C)C1	2081947425	SEZVHSCOMJOLHJ-JYAVWHMHSA-N	249.373	4.625	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cccc(C(C)(C)C)c1	2083550022	KIPRRVYWTMVNIP-XJKSGUPXSA-N	247.426	4.810	0	10	BJAE	
Cc1ccc(O)cc1-c1cc(C)c(Cl)c(C)c1	2212875109	UNWBWAYQXYNVED-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
C[C@H]1C[C@H](CCCCCCC2CC2)C[C@@H](C)N1	2213574421	SZRGILIYSGEKEI-MIFYACCESA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(O)(CC(C)C)CC(C)C	2215238563	XECAANYSJXWDPX-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(O)CCCCC2(C)C)C1	2215383451	IWWINCYPAFCFCK-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@](C)(CCC)CCCCC(F)F	2216426736	DOWJZBKYXWGDSI-CQSZACIVSA-N	249.389	4.618	0	10	BJAE	
O[C@@H](CCCCCCCC1CC1)CC1CCC1	2216888571	JUUYWIYCKXPJCQ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)CC1(CN[C@H](C)CC)CCCC1	2217133326	DACWTECSSVHQGI-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CC2C[C@H]3CCC[C@H](C2)C3)C1	2218336592	XCRZNCBIAXSUPY-HOSILWTGSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CCCC12CCC2	2218718488	ODQNGQUHALMVRR-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)C1(C)CC2(CCC2)C1	2221003218	CTJNHTSSAIAXDM-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC[C@H](C)C2)CC=C(C)CC1	2221661834	FQWGFHHQBFZESX-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CCC[C@@H]2C[C@@H]21	2223107172	DPCQCRLMCJFKCN-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@@H](C)c1ccc(C)cc1	2223954999	NRFMKGMZRBULNY-RDJZCZTQSA-N	246.394	4.596	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)c1ccc2occc2c1	2224133488	XAPKUEGCGHYPML-WFASDCNBSA-N	245.366	4.520	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CCC1(C)C	2243169073	ANPXMIVDTCYOBT-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C(=O)[C@@H]1CCCC(C)(C)C1	2244786532	VAJROJARQOURJA-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1C=CCCCC1	2244787093	ZFKNGJFEQHPHBQ-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CCC2(C)C)C1	2246660808	TXZMLHNXWJADSH-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(C)CCCCCN2)C1	2246735406	YNQKBOFQLBLDRF-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1(N)CCC(C)(C)CC1	2247161420	ATPWNYDAJZAJIQ-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(CCCC[C@H]1C[C@H]1C)C1CCC1	2247161641	CMBVPJMVMIPULK-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@@H]1CCC1(C)C	2247431794	JFOZMUMUDQKHFP-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC[C@H]1CCCC12CC2	2247645292	KISWEGSRVPIDOU-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCCN1CC[C@H]1CCCCC12CC2	2253862790	JVBZRJAMUHMLTI-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@H]1CCC1(C)C	2254831835	WPXTWUHWEQSPPN-CJNGLKHVSA-N	245.410	4.636	0	10	BJAE	
NCC[C@@H]1CCC[C@@H](CC[C@@H]2CCCC23CC3)C1	2255233571	NENPUUAACKNHSD-JYJNAYRXSA-N	249.442	4.502	0	10	BJAE	
CC[C@](C)(CC[C@@H]1CCCC12CC2)CNC1CC1	2255259067	MOEBJFAWVLWLEU-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CC(C)(C)C[C@@H]1C	2256141710	KGYSAHANMXSDPP-SMDDNHRTSA-N	249.373	4.625	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1C[C@@H]2CCC[C@@H]21	2257245005	GTOZHQKEBZZXFH-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
Fc1ccc(C2CC2)cc1NCC1CCCCC1	2259126219	LUADHKXDARMEDK-UHFFFAOYSA-N	247.357	4.695	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1CC(=C2CC2)C1)NCC	2259452853	INLOMZXEYUUJCW-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@@]12CCC[C@H]1CC2	2260492337	QTBVCHSKCYBJMN-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@@]12CCC[C@@H]1CC2	2260531331	BJXUGXIDHIUCMO-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](CC[C@@H]1C[C@@H]1CC)NC	2298126217	QNPFOUJGOXYSGI-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H](C)CC1CC1	2298926395	MEHKBFXNXXIARL-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCC(CC)CC)[C@@H]1C	2300688610	OUTHVUURNIRJQG-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCn1ccc2ccc(F)cc21	2300699647	HLZOVPGWDDJQQO-UHFFFAOYSA-N	233.330	4.607	0	10	BJAE	
CCC(CC)CC[C@H]1C[C@@H](C(C)(C)C)CCN1	2300702861	ZSKUYJVUYXBHEU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CC(C)(C)CC	2300876125	CLQAKRACZVLLOS-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CCC(C)=CCN(C)[C@@H](C)C1(C)CCCCC1	2300880554	NMCDYDOYWLNCMA-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)CC1(C)CCCCC1	2301696599	ANCMWIMYKPCDBR-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@@H](C)[C@@H](C)C(C)C	2301864373	NDCUOWMWALLWHY-GJZGRUSLSA-N	242.447	4.738	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCC[C@@H]1C	2301908672	VDFSFVCFAPVZBJ-SMDDNHRTSA-N	235.346	4.550	0	10	BJAE	
CCCNCC[C@H](C)CCCC1=CCCCC1	2302353079	BFEPLIDGYQPFKO-OAHLLOKOSA-N	237.431	4.683	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)C[C@@H]1CCC(C)(C)C1	2302751001	NWHVDCSWRPMWMM-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](O)C(C)(C)C(C)(C)C)C1	2302897328	YYVRNOGXOIFIHX-CHWSQXEVSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@H](C[C@@](C)(N)CC2CCCC2)C1	2302900629	FAIUGXSIZGFRFD-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1cccc(C(C)C)c1	2303660596	GRIIGDKIBWVDJV-CZUORRHYSA-N	233.399	4.636	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H](CC1CC1)C1CC1	2303838671	HQXHVHSXBXDJBI-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCCNCC(C)(C)CC[C@@H]1CCC(C)(C)C1	2304429278	VMMSRUSMKWNBDU-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@@](C)(N)CC[C@@H]1CCC(C)(C)C1	2304434567	JYHYXGXPUCXQOL-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1c(C)cccc1F	2307842180	HZUMFJBZWGRGAM-LBPRGKRZSA-N	236.330	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1CCCC2(CC2)C1	2307911745	XSIMEHCRUYMOJC-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](NCC[C@@]23CCC[C@@H]2C3)CC1	2310374591	ZVARZPLMPQBZKX-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CC[C@@]23CCC[C@@H]2C3)C1	2310388507	ZCJFZWWUYRKJDW-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@@H]1C[C@H]1C1CCCC1	2311526478	HYNDQIPYBNLSRX-CWRNSKLLSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](C[C@@]12CCC[C@@H]1CC2)C1(C)CCC1	2313352867	DELLDNYJNSIVFQ-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC(=CCN[C@@H]1C[C@@H]2CC[C@@H]2C1)CCCC(C)C	2316493835	XVTNDIKDIQCACV-FVQHAEBGSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC=C(C)CC)c1cccc(F)c1	2316536564	MORRRUYDRAALDL-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316697276	KVLNHGUIAKUETP-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@@H](C)[C@@H](C)C(C)C)c(C)c1	2317822245	AHZTXKGZYUSTQQ-ZOBUZTSGSA-N	247.426	4.540	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](CCC1=CCCCC1)NC	2317964725	WMCJUJVBKPYLJW-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C[C@@H](C)C1CCC1	2317978073	YUKSZIFXNYLTOP-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
C1=C(CCCN2CCCC[C@@H]2C2CC2)CCCC1	2318576096	LXRAPTFSWYHCCM-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
CCc1cc(C(=O)CCC[C@H]2C[C@H]2C)ccc1C	2318933772	PUZARQFUEDJLOT-HIFRSBDPSA-N	244.378	4.566	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC[C@@H]1CCC(C)(C)C1	2319022283	SWOAWMJIIAABAE-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@@H]2C[C@H]3C[C@@H]2C3)cc1	2319363181	OWARJXATFBDPTK-VDERGJSUSA-N	243.394	4.658	0	10	BJAE	
Cc1cc(F)cc(NC[C@H]2CC[C@H]2C(C)(C)C)c1	2320320813	SBYMIYUWRMIZDX-IUODEOHRSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCCC(C)(C)[C@H]2N)CC1	2320339321	CTQLNKVMWDIFNC-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](NC2CCC3(CCC3)CC2)CC1	2320413878	PODNTKIKPVDLHD-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H](C)CC2CCCC2)CC1	2320414752	UEKUSEIBWKKSCW-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@H]2CCC2(C)C)c1	2320571441	VCWPXLQEAFGCRC-HNNXBMFYSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@@]23CCC[C@@H]2C3)C1	2321625923	QTEUBTNGAWYBLC-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
CCNC[C@]1([C@@H]2CCC[C@@H](C)C2)CC=C(C)CC1	2326705468	ZJTNMSXVTGBOGH-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2cccc3ccccc23)C1	21520476	NIWPQSGSJKBLQK-UKRRQHHQSA-N	239.362	4.830	0	10	BJAE	
CSc1cccc(NC2[C@@H](C)CCC[C@@H]2C)c1	21810646	OUSDGQNXQCYYDM-RYUDHWBXSA-N	249.423	4.645	0	10	BJAE	
Cc1ccc(NC[C@@H](C)c2ccccc2)c(C)c1	21810828	COMJPEJAENETEO-OAHLLOKOSA-N	239.362	4.519	0	10	BJAE	
CCCCC[C@@H](NCC1CCC1)c1ccccc1	37253756	WPLHGXJHLQOPTE-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CC(C)C[C@]1(N)CCCC[C@@H]1C1CCCCC1	37376840	NDODPUAUEXAPBA-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(=O)C(C)C)cc1-c1cccs1	49831979	DQTGVAJRZOUFKW-UHFFFAOYSA-N	244.359	4.562	0	10	BJAE	
CCCC[C@H](CC)Nc1cc(Cl)ccc1F	68986178	IUOMNPUDDVWGCG-NSHDSACASA-N	243.753	4.860	0	10	BJAE	
CC(C)c1cccc(NCCC(C)(C)C)c1	71085707	LBAOUAOUZOYIIZ-UHFFFAOYSA-N	219.372	4.658	0	10	BJAE	
O=C1CC[C@@H](c2ccc(C3CCCCC3)cc2)C1	77391157	KKRNLXVHDPLSRP-MRXNPFEDSA-N	242.362	4.571	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@@H](CC)NCC	82443886	KAWOSGHQMXINNJ-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CC[C@@]1(N)CCCC(C)(C)CC1	83435508	QBAONBZRJBDEGK-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC1CCC([C@@]2(N)CCC[C@@H](C)CC2)CC1	86883590	GMSHOHRUHFCNBV-PRLABOORSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc([C@@H](N)C2CCC(C)(C)CC2)c1C	87942000	NDUJICXUDVAPHY-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCCC1(C)C	94307356	VKTPXLBEFLBQPL-AWEZNQCLSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)c1ccc(CCC)cc1	103976713	KLJIUKLSAKYZLH-CABCVRRESA-N	247.426	4.868	0	10	BJAE	
CCC(=O)CC[C@@H](CC)c1ccc(CC)cc1	107484569	ZNFWUUILPDWWDT-CQSZACIVSA-N	232.367	4.502	0	10	BJAE	
CCCCCC(CCCCC)N[C@H]1CC1(C)C	109942613	YROXMRGAVAPYFO-HNNXBMFYSA-N	239.447	4.904	0	10	BJAE	
Cc1cc(NC2CCC(C(C)C)CC2)ccc1F	109956841	OBNYPTDWBNHRPN-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](Sc2ccc(C=O)cc2)C1	123647625	IRGRKUYMULKZSX-DOMZBBRYSA-N	248.391	4.560	0	10	BJAE	
CCCN[C@@H](CC1CCCCCC1)C1CCC1	131161166	CAUCXNKHRYCIKV-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@@H]1CCC(C)(C)C	155780812	ZEOHMKIHRUQHSG-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H](CC)c1ccccc1	158461615	ROIVLDYHDQYUMN-DLBZAZTESA-N	247.426	4.739	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCC[C@H]2CC)CC1	164066116	UFWQRCHNVIYJQM-GYTBAZASSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H]1CCC[C@H](CC)C1	166283942	SGFHYFWCKFKXMG-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CC(C)c1ccc([C@@H]2CCC(F)(F)C2)cc1	200106406	YPIZIXJOMPJUAF-CYBMUJFWSA-N	224.294	4.713	0	10	BJAE	
C[C@@H]1CCCc2[nH]c(C3CCCCCCC3)nc21	216979812	NLXQARUMSZIZIN-GFCCVEGCSA-N	246.398	4.677	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H]2C[C@@H]2C)c(C(C)C)c1	218129685	ZBVGOEJHBDUNCZ-VUCTXSBTSA-N	246.394	4.623	0	10	BJAE	
CCC[C@H](NCC)[C@H]1CCC[C@@H](C(C)C)CC1	219279204	WOUYIZCAEFMOEC-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(O[C@@H]2CC[C@H](C)[C@@H](C)C2)c(C)c1	222541452	DYHRJOIXEKQOKO-KCQAQPDRSA-N	232.367	4.507	0	10	BJAE	
C[C@H]1CCC[C@H](NCCCC2CCCC2)CC1	225035299	XCFWDTCZZVJQKG-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)CCC(C)C	225981027	LOKSYEMLBFIXPD-LSDHHAIUSA-N	227.436	4.760	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@]2(N)CCCC(C)(C)C2)C1	226900869	LQTFWVWBSNCVNN-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](N[C@H]1CC[C@@H](CC)C1)c1ccccc1	227193525	UHXNCRAFHHPPBN-HYVNUMGLSA-N	245.410	4.696	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)(C)C)c1ccccc1C	229441849	UWFLYSVIRKVHCS-CJNGLKHVSA-N	247.426	4.718	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)C[C@H](C)C(C)(C)C	252901113	KJYGTNUMMBZLKZ-LJISPDSOSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@H]1CCCC[C@H]1CC	253049121	SIGUCONBRXKWAQ-UGUYLWEFSA-N	239.447	4.747	0	10	BJAE	
O=C(c1ccsc1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	253177668	BAYAZTWELVMMPS-FRRDWIJNSA-N	248.391	4.537	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H]1CNc2ccc(F)cc21	300257184	FLRCOLYENKLQSE-UONOGXRCSA-N	247.357	4.551	0	10	BJAE	
Cc1cc([C@@H](O)CCCC(C)(C)C)sc1C	300845444	KIXGSYPTVBFCNM-LBPRGKRZSA-N	240.412	4.615	0	10	BJAE	
Cc1cccc(N[C@H](C)CC2CCC2)c1Cl	300891353	OOIFXRJUTWQHPR-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)C1CCCCCCC1	302254730	ARWMZMJOYPGEQP-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCc1cc(N[C@@H]2CC(C)(C)C[C@H]2C)ccc1C	302360827	YCCTUSYNIQKLPP-CZUORRHYSA-N	245.410	4.794	0	10	BJAE	
CC1(C)CCC([C@H](N)CCC2CCCC2)CC1	305895942	IGRGYRJYUFVTES-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CCCC(C)(C)C)C1	305910365	HZZUYNKZUPFDFI-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(Cl)c2cc(Cl)sc12	306853694	UPHLNIOUYMZRQU-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CSc1cc(S)cc2c(Cl)csc12	306895086	LXTDEPJGRBSPGB-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CSc1cc2c(Cl)ccc(S)c2s1	307201291	CXWATJKCBATIEI-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](C[C@H](C)CC)NCC	308040232	AKRDJANDDIAKEA-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)c1cc(C)cc(C)c1	308061660	SQUMHCIVEIQDHC-DOTOQJQBSA-N	247.426	4.766	0	10	BJAE	
C[C@@H](NCC(C)(C)C1=CCCC1)c1ccsc1	308760681	YGMSGQMQCGCTIL-GFCCVEGCSA-N	249.423	4.535	0	10	BJAE	
FC(F)c1ccc2cccc(C(F)F)c2c1	309178488	BIJNFSRGQUXKHI-UHFFFAOYSA-N	228.188	4.715	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C[C@@H]2CCC[C@H](C)C2)c1	311013332	PMZZLKNTZOERME-XGWLTEMNSA-N	245.410	4.520	0	10	BJAE	
CC(C)[C@@H](C)CN[C@H](c1ccccc1)C(C)(C)C	311210074	KWVHSGUTSJSQRF-GOEBONIOSA-N	247.426	4.656	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NC)[C@@H](C)[C@@H](C)CC	319482032	BKUIISGWKIADMV-CAOSSQGBSA-N	241.463	4.719	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CC1=CCCCC1	381178138	PDVDLYIZBDTKGV-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)C(CC)(CC)CC	395111119	BTKZRMWZEVPNDF-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CCc1csc2c(CC)cc(C(F)F)cc12	396168589	NYGZNTPOWILJNY-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1csc2ccc(C)c(C(F)(F)F)c12	396307743	RWVWQCBYNCJBSL-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@H]1CC=CCC1	402231786	YTIKDXVSQWEMQD-RDJZCZTQSA-N	247.426	4.601	0	10	BJAE	
CC(C)NC[C@@]1(C[C@@H]2CC=CCC2)CC[C@@H](C)C1	402383707	IVDZLVMHZCLDEB-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2c(ccn2CCC(C)(C)C2CC2)c1	406005268	DEAWDRSDCJHTRJ-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](CN)C1CCCCCC1	688456827	XHOVCGQHXDBSKM-ZBFHGGJFSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1CCCCCCC1	688962462	BPKIRBPZFVSHMO-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CC(C)c1ccccc1[C@@](C)(O)CC1CCCC1	689779569	WDPUFUCDQBGRIS-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCC1(CNc2cccc(C3CCC3)c2)CCC1	690138610	PPQPLGUXULYWQN-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCCCC[C@@H]1C	691077485	HEKDOSVONFCODG-FZMZJTMJSA-N	235.346	4.515	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)C1CC(C)C1	691985317	WZXPJLJLPQNVKZ-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
C1CCC(CCN[C@@H]2CCCC[C@@H]2C2CC2)CC1	696111658	QTEHTMWRUMHBJF-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@]1(O)C[C@H](C)CC[C@H]1C(C)C	697598574	JUPGXKRDYCURQL-PMPSAXMXSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C1(CCC)CC1	697755643	KLZLIMFPDAVKAW-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CN[C@@H](CCC=C(C)C)CCC1CCCCC1	697756882	UJTUGBMOTXEQFE-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](CC(=O)CC1CCCCCC1)CC(F)F	701575617	CFYGJPBBAUVKJP-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)[C@H](C)CC(C)(C)C	708257430	PQIOJRDPKHZTPM-MGPQQGTHSA-N	241.463	4.719	0	10	BJAE	
CCCNC[C@@H](C[C@@H](C)CC(C)(C)C)C(C)C	709125191	NXPWGNPBIPYFIL-HUUCEWRRSA-N	241.463	4.721	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1NC[C@@H]1CC=CCC1	709134032	LCLUQIITZVWICD-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@H](O)CC(C)(C)C1CC1)CC(C)(C)C	709168898	TVJKVVNXOITRCQ-OCCSQVGLSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1CC[C@H](C)CC1	709244472	YQTBSFOIYVUQMC-KLHDSHLOSA-N	237.431	4.514	0	10	BJAE	
CC(C)=CCNc1cccc(-c2ccccc2)c1	709730023	ZAEMXRSDQBRCRK-UHFFFAOYSA-N	237.346	4.732	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H](C)C(C)(C)C)NC	711108822	LYLNCNZBNAVXQW-ILXRZTDVSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1CCC[C@@H](C2CC2)C1	712534931	SOXCDAKSCBBVFW-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CC(C)(C)CC[C@H]1C	713051584	UWMLSDSFHDSUEE-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)CNc1ccc(F)cc1Cl	713128368	CZWDVXYOKVCJJX-UHFFFAOYSA-N	243.753	4.573	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)CC(C)(C)CC	713252458	VAQKDKJDJOTXNH-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CC[C@H]1CCC[C@@](CNC)(CC(C)(C)CC)C1	713336642	PDEVKKBGXZFGMI-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCC(C)(C)CC1=O	717518058	QVEMZGHLFZQWRC-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)CC1CCCCCC1	718595853	RFCIPEVSMMJAKT-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)C)C(C)(CC)CC	721749405	SLHOZAFHKVRFJG-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)[C@@H](C)CCC	723569508	XVJFYPACCNEPEY-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1Nc1ccc(C2CC2)cc1	821906402	QLCNZTFBEVCSJP-CHWSQXEVSA-N	243.394	4.801	0	10	BJAE	
CCC[C@H](C)CCNCc1cc(C)c(C)cc1C	1179468761	NYVVWLPRMVTYCG-ZDUSSCGKSA-N	247.426	4.528	0	10	BJAE	
C=C/C=C\CCN(c1ccc(CC)cc1)C(C)C	1460196307	QQMGDSXNGJWBPT-FPLPWBNLSA-N	243.394	4.596	0	10	BJAE	
C(CSC[C@@H]1CC[C@@H]2C[C@H]2C1)CC1CCC1	1559447201	ZHVUAHNZVRIPBA-RBSFLKMASA-N	238.440	4.736	0	10	BJAE	
C=C/C=C\CCSC[C@@H](C)c1ccccc1	1643904641	FDALFXOIIJRZHU-ZRUQZJFASA-N	232.392	4.656	0	10	BJAE	
C1CCCC(CN[C@@H]2C[C@H]3CC[C@H](C3)C2)CCC1	1656107517	XBLWACZDLFLZSO-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)NCC1(C)CCC2(CC1)CC2	1875708279	DZRPEEMHMJGGDS-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@@H]1CCCC(F)(F)C1	1885361762	ISSCZOPNHIKSET-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
CCC(CC)CC[C@](C)(O)C1CCCCC1	1900704071	UXFRVHDLDSDMBB-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H](C)[C@H](C)C(C)C	1901628568	XGDLJOSKTSBZAV-OLZOCXBDSA-N	226.404	4.700	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](CC)CCC1=O	1905347225	UEUQXQVGQVLWAI-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
COC[C@@H]1CC[C@H](CC[C@H]2C=CCCCC2)C1	1908385100	OLUQCGPCQIYJSL-HRCADAONSA-N	236.399	4.576	0	10	BJAE	
CCC1CCC(CC(=O)CC[C@@H]2C[C@H]2C)CC1	1910142985	KRIOVNAOPQLUTO-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	1911826518	DJINSGDQFMRHKF-OWCLPIDISA-N	246.394	4.684	0	10	BJAE	
CC=C[C@@H](NCCC)c1csc2ccccc12	1911872266	VFOXYEOVBJJWDC-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
C=CC=CCC[C@H](NC)c1ccc(C(C)C)cc1	1912098891	IPGJNKFAGPZDOK-KRWDZBQOSA-N	243.394	4.593	0	10	BJAE	
CCC[C@@H](CC)N[C@H]1CCC2(CCCCC2)C1	1915853734	BUAWPDRZRFOEIU-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](C)C[C@@H]1NC	1916044913	QTNQDVCFAVXXHP-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(CNC(C)(C)C)C=CCC1	1916375896	DJNAWPVJTRKLKD-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CNC[C@]1(CCCCCC(C)C)C=CCCC1	1916566790	WULOSUQBYOTPTF-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(C)C1CC(C(=O)C[C@@H](C)CC(C)(C)C)C1	1921272416	NJNNCLPTOSBMAP-IYXRBSQSSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@@H]1CCCC12CCC2	1921594582	GNJJFOYVFIROGB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H](C)C1CCCC1	1924138011	GDUHMZTYWRFROI-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@@H]1C=CCCCC1	1925932488	FUEVWOGHBVWMOW-CYBMUJFWSA-N	249.785	4.807	0	10	BJAE	
FC(F)=C1CCCCCCCC1(F)F	1927565045	YEEJUQZCKMRTLT-UHFFFAOYSA-N	210.214	4.517	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H](C)CCC(C)C	1937163692	XHJKTMONSRAGQD-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](NC)C1(C)C(C)(C)C1(C)C	1940283336	WQDKMGOZLXHSCQ-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](N)CCC1CCCCC1	1940854261	VSFFNCFAYPAXJZ-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC[C@@]1(CCC[C@H]2CC2(C)C)CCCCCN1	1940884813	VDWFIDSPSCPXSO-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccccc1C(=O)CCC=C(C)C	1940928038	DEFBPRXLTZFNEP-UHFFFAOYSA-N	230.351	4.568	0	10	BJAE	
CC(C)(C)C1CCC(C[C@H](O)C(C)(C)C)CC1	1941160959	VMONYYHUILRRKU-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943040325	NVVRXJFYNRXWPS-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@H](N)C[C@H]1CCC[C@@H]1C)CC(C)(C)C	1944820666	SHRGKGIICWKFLT-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC1(CCC)CCC1	1947459225	AYEOLEVXGYHZRN-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)CC1(C)CCCCC1	1947513886	ATHXSZHWJQPFTF-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@H]1C=CCCC1)NC	1947590326	VZWPGTDVRUZNOB-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCCCC12CCC2	1947879239	BINWVNDGLGKPPN-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CC[C@H](C)[C@H]1C(C)C	1949045788	VOGSUPSUZPVURN-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(CN)CCCC(C)(C)CC1	1950916950	CIFNNWUIZQFPBF-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
CNC[C@@]1(CCCC(C)C)CCC[C@H](C)CC1	1950928714	AKNYRLHPOLYNIE-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(OCCC)cc1	1951309071	UEPYWXJHSGNMRV-AWEZNQCLSA-N	232.367	4.935	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cc(C)c(Cl)s1	1960262081	FYVLMLMYKOBNIB-IONNQARKSA-N	244.787	4.575	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)C[C@@H](C)c1ccccc1	1962915580	XYVSVXSADLWBOR-HZPDHXFCSA-N	247.426	4.547	0	10	BJAE	
CSc1cccc(N[C@H]2CC[C@H]2CC(C)C)c1	1968261766	AGQXBZJVKLFPIJ-WFASDCNBSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](NCC(C)(CC)CC)c1ccc(C)cc1	1973315599	KJQKSHLBQASDJU-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCc1cnc([C@@H]2CCC[C@H](CC)CC2)s1	1976348946	GLBLJKXVSFGKEI-NWDGAFQWSA-N	237.412	4.779	0	10	BJAE	
CC(C)c1ccccc1-c1c[nH]ccc1=S	1989479059	MYQGEGATPWXFPQ-UHFFFAOYSA-N	229.348	4.535	0	10	BJAE	
CCCCC[C@H](CC)NCCC(C)(C)CC	1990090073	WEIBRCDVORLMEY-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@@H](C)CC(C)C	1990123580	NFIWSGIPRDGKOQ-GJZGRUSLSA-N	227.436	4.569	0	10	BJAE	
CCCC[C@](O)(CC)CC1CC(C(C)(C)C)C1	1998257562	HDTZZYKFBWQJKX-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CCCC1([C@@H](CC(C)(C)CC)NCC)CCC1	2000377697	YYNVNDWHSGMPEL-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CN)CC1CC(C(C)(C)C)C1	2000498832	DNGKYFKQJQRFQV-XUJLQICISA-N	239.447	4.604	0	10	BJAE	
CCC[C@](O)(C[C@H]1CC12CCCC2)C(C)(C)C	2001258316	DMTBFYDUGHICTC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCCCN[C@H](C)C1CCC(C(C)C)CC1	2002928766	ZQNGTSPPZJIDMB-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H]1CCCCCCCC1=O	2003073725	IRPSAJXYLZVQIQ-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@H]1CCC2(CC2)C1	2003210329	DCSQQCBSOIODKN-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CNC[C@@H]1CCCC[C@@H]1C	2004710791	CQUARAOWENQWMV-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(CF)cc1	2007017695	MROWSIDARHUBLH-ZDUSSCGKSA-N	237.362	4.784	0	10	BJAE	
C/C=C/CCCCC[C@H](NCCC)C(C)(C)C	2009618805	FPBNRLBDIORJNH-VFADXPBXSA-N	239.447	4.927	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)C1=CCC(C)(C)CC1	2010770054	WBSHVTYCIKRCEG-HIFRSBDPSA-N	237.431	4.523	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CCCCCC12CC2	2011273523	BXZRIRJQQFSRDG-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CCC(C)C)CCC(C)(C)C1CC1	2013265542	XHZQFFOLLGUPKX-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC[C@](N)(CCC(C)C)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2013275312	ZQKHAMYLJPZNCV-QXSJWSMHSA-N	239.447	4.602	0	10	BJAE	
CCCCC(C)(C)Nc1nccc2sccc12	2013533461	QAWKIMBBECEEII-UHFFFAOYSA-N	248.395	4.677	0	10	BJAE	
Cc1c([C@@H](O)CC(C)(C)C)sc2ccccc12	2014292529	LUJUYJPQNHNANJ-LBPRGKRZSA-N	248.391	4.679	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C[C@H](C)C(C)C	2015275681	RVHCGSXJDMDNPP-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C[C@@H]1CCC(C)(C)C(=O)C1)C(C)C	2015379803	PTQMFXCFRMVIPW-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCCN(C)CCC(C(C)C)C(C)C	2015388701	QJXKILQXGGHKOH-UHFFFAOYSA-N	241.463	4.673	0	10	BJAE	
CCC1CCC([C@](C)(N)C[C@@H](C)C(C)C)CC1	2015395742	AYZGOUKDRQPCQO-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)C[C@@H]1CCCCCCCC[C@H]1N	2015410449	VJYKWLJUMRGVHG-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
C1=C[C@@H](CC2CC(c3ccccc3)C2)CCC1	2016782878	BYTFARWSZSLUPS-HPUBIQBYSA-N	226.363	4.927	0	10	BJAE	
CCCCCC[C@@H](O)CC1(C(C)(C)C)CCC1	2017115265	WKZPZTWRMNSHNO-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)C1(C[C@H]2CCCCCC2=O)CCC1	2017128572	DVXJEWSVYDDWHX-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC(C[C@@](O)(CC)C(C)C)CC1	2017650777	LHPHOISXAFEVTM-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@H]1CC[C@H](CC)CC1	2017652415	GNMHBADLDSIVSU-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](NC)C(CC)CC)CC1	2017654985	ITIRNXJPKLMJLX-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCC(C)C)C[C@H]1CC[C@H](C)CC1	2017722086	NHXFNAJOBRIDBJ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC)Nc1c(F)cccc1F	2018127445	GIJCDKAAAMAZEW-LLVKDONJSA-N	241.325	4.736	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCNC2(CCCC2)C1	2018644859	GJAWFVHCCLKIDU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](O)C[C@H](C)CC(C)(C)C)CC1	2018967130	IJZWQTQFVSDECU-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCC1(C[C@@]2(N)CCCC[C@@H]2C(C)(C)C)CC1	2018983702	ZMZOROHLJZUZPE-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@H](C)C(C)(C)CC	2019199280	KJBWHLUUYHFPQP-KFWWJZLASA-N	239.447	4.712	0	10	BJAE	
CCCN(C(C)C)C1CCC(C(C)(C)C)CC1	2019404805	KWXXQDXPNVVNDR-UHFFFAOYSA-N	239.447	4.712	0	10	BJAE	
CCN(C1CCCCCC1)[C@H]1CCCC[C@@H]1C	2020500168	BOHBWCFWLCYXMZ-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H]1C[C@@H]1COc1ccc(C(C)C)cc1	2022543416	GSZXMZTYEGOMSI-LSDHHAIUSA-N	232.367	4.625	0	10	BJAE	
CCCSc1ccccc1NCC=C1CCC1	2023254110	UMXQOWMPUNWNSM-UHFFFAOYSA-N	247.407	4.711	0	10	BJAE	
CCCC(C)(C)[C@H](CCCCC(C)(F)F)NC	2023290483	QSTLKTWYNDDMNL-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cc(C)cc(C)c1C	2024076631	OMDRXXQFADIQAF-NSHDSACASA-N	232.367	4.621	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CC[C@H](C(C)C)C2)c1	2025572119	OKEXOFWRCBNNQT-GJZGRUSLSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CCCC(F)F)NC	2026165800	FCLWPJVCWOBGHP-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@@]1(C)Nc2cc(C(C)(C)C)ccc2O1	2027870304	MUNWSUCQOXAJLQ-INIZCTEOSA-N	247.382	4.695	0	10	BJAE	
CCCc1ccccc1[C@@H](O)CC1(CC)CCC1	2027899684	PUIRIDYSSVDGHZ-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)c1cccc(C2CC2)c1	2028553188	WODLLEUMMQBNSU-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CN[C@@H](c1cccc(C)c1C)[C@@H](C)CCC(C)C	2029821173	RLXRWLKJLGAGPL-WMLDXEAASA-N	247.426	4.636	0	10	BJAE	
CCC(CC)[C@@H](O)c1ccc(C2CCCC2)cc1	2031742886	AJDKFPMIGJWMIJ-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
C[C@H]1CC(=C2CCC(C(C)(C)C)CC2)[C@H](C)CN1	2031999328	HGLJLKAZSHVQMC-NEJHNUGDSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)C(C)(C)C1CCCC1	2032346323	LUILZVVAVGUXBM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C23CCC(CC2)C3(C)C)C1	2033434226	BLVUWPUTPQSAPM-GXZXJKLZSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@]2(N)CC[C@H]3CCCC[C@@H]32)CCCCC1	2034260553	VFIBNCZRIQDKNQ-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](C[C@H]2C=CCCC2)C1	2035551710	JEBJERJNFROJNT-RRFJBIMHSA-N	248.410	4.764	0	10	BJAE	
N[C@]1(C[C@@H]2C=CCCCC2)CCC2(CCCC2)C1	2037271365	BFZGRPGPMLAQKO-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C1CC2(C1)CC(C)(C)C2	2039420952	IUESUPCTMPJPSG-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C(=O)CC23CCC(CC2)C3)CC1	2039422785	XJOIOYZOSFKIAU-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@@H](N)CC1CCC(C)CC1	2039434469	JMSFORJJQLKGBD-FWLZOVJKSA-N	249.442	4.523	0	10	BJAE	
CCc1cccc(CC)c1NC[C@@H]1CC[C@H](C)C1	2040168079	DKZSRJPPEIQUJE-UONOGXRCSA-N	245.410	4.660	0	10	BJAE	
C[C@@H]1CC[C@H](CC2(CNC3CC3)CCCCC2)C1	2040181094	GWOISVCBAQSRQE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Fc1ccc(C=Cc2ccc3ccccc3n2)cc1	2040454751	DXZWCRGXCIYTII-UHFFFAOYSA-N	249.288	4.544	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)[C@@H]1CCCC2(CCC2)C1	2041300925	SFGDWVKLTOBELC-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@H]1CCCC[C@H]1CC	2042023973	HKJZNMLYVMOERE-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H]([C@@H]1C=CCCC1)[C@@H]1CCCC[C@@H]1C	2043187412	LIHKVOXSNKGIFD-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1=CCCCC1)NCC1CCCCCC1	2043192331	CACQMDVLTJCSPH-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(F)cc1NC[C@H]1CCC=CCCC1	2045328854	IYRFQTRCTLLOAX-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2CCNc3ccccc32)C1	2045503601	DTYPGBZLTTWBRR-ZIAGYGMSSA-N	243.394	4.802	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@H]1C[C@@H]1c1ccccc1	2045608151	GBOWRNSGRUDAJU-CABCVRRESA-N	244.378	4.576	0	10	BJAE	
CCC1(CC)CCN(C[C@@H]2C=CCCCC2)CC1	2046572848	KKDPKKBOGHWDAE-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@H]2CC23CCCCC3)CC1	2047005758	VXTMHHPFKYSXLO-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@H]2CCC23CCC3)C1	2047936416	PVIDEXROZBVCJZ-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C[C@@]2(CN)CCC23CCC3)CC1	2047938309	FPAUBJABNZPUGR-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
CC1(CN[C@@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2048380183	FLLGIJPNRLICJO-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@@H]1[C@H]2CCCCC[C@H]21)CC1CCCC1	2048490302	ODWNRNWFNVTRTR-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
NCC1(C[C@@H]2CCC3(CC3)C2)CCCCCCC1	2049864007	IGMOOSPVONVKKE-OAHLLOKOSA-N	249.442	4.646	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2CCCC3(CC3)C2)CCC1	2049864716	KDNBIMHOALAIRK-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)c1cccc(C)c1	2050456146	NNKYIJRMHNBZAI-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@H](C1CCCCC1)C1(C2CCC2)CC1	2051909626	SWOGOXVANBAIJA-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@@H]1CCCCC12CC2	2053415554	JSTSZOPOVKZDSC-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@](O)(C[C@@H]2CCCC3(CC3)C2)CCC1	2055605191	XGQQEXMFCJJQOI-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C2(C)CCC3(CC3)CC2)C1	2056539581	MUTILEGFZIFKOK-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](N2CC[C@@]23CCCC(C)(C)C3)C1	2058157386	XULDYOBVZUFXPA-RHSMWYFYSA-N	249.442	4.610	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1ccc(F)c(C)c1	2059250241	ORHDZUCSPBSDEJ-MQDFFIGUSA-N	249.373	4.531	0	10	BJAE	
C[C@H]1CC=C([C@]2(N)CCCC23CCCCC3)CC1	2060905981	NHOFLOVAVWBQOK-WMLDXEAASA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)[C@H]2CC[C@H](C)CC2)CC1	2061139679	HTQRAFPOKNZPQC-KCYZZUKISA-N	249.442	4.523	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1c(C)c(C)cc(C)c1C	2061871109	QIDGXEKNBLBOHB-MRXNPFEDSA-N	248.410	4.780	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H](C)C1CC2(CC2)C1	2064495014	WAYXBZNIKDVWKO-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@H]1NC(C1CCCC1)C1CCCC1	2065933996	SXWZFINJVGEQMC-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@H]1CCCC2(CC2)C1	2070406823	CNZBPSANZFQLSO-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)C12CCC(CC1)C2	2070414613	VOYQLHJCNXBIOH-NJINODPHSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)C[C@H]1C=CCCC1	2072078531	ZQVBRMGKNMGAQE-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C12CCCC1CCC2	2072425836	OYJXHGAGEMQCKU-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2C[C@H]2C2CCCC2)C1	2079667572	XWUBSGILWGYTAC-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@](N)(C[C@H]2C[C@H]2C2CCCCC2)C1	2079668753	CFRUNFHSFLDLJD-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)[C@H]1CC12CCCCC2	2079841498	JEIQCBBHWARYNA-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@H]2C2CCCCCC2)CCC1	2079852546	REOYODPULBBJAF-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1C)[C@H](C)C(C)C	2082920848	CAJILRXCAIZGLB-PBHICJAKSA-N	247.426	4.555	0	10	BJAE	
CC1(C)CC[C@H]([C@@H]2CCCNC23CCCCC3)C1	2083815597	HVEANBBDATXLFQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)CC(=O)c1oc2cc(C)ccc2c1C	2086604174	SRBRQTVHQJCQCH-SNVBAGLBSA-N	244.334	4.669	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)CN[C@H](C)CC	2212598622	XVMRSHZJRYGYGR-ZNMIVQPWSA-N	227.436	4.617	0	10	BJAE	
C(=C/c1ccccc1)\CC[C@@H]1C[C@H]2CC[C@H]1C2	2213825220	QNNQZLRTKXNSEA-QIUZGKPSSA-N	226.363	4.916	0	10	BJAE	
CCC[C@](O)(CCCCC1CC1)[C@@H]1CC1(C)C	2214568999	KYWDXPNDLZPZKM-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1CC[C@@H]1C	2215119804	ZJTFTDDYPZPSCI-SWLSCSKDSA-N	232.367	4.543	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H]1CC=C(C)CC1	2215834402	ONRZQYJQYZTTAE-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216744214	IRSJEEVBVFKPFN-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CC1CC(CN)(CCCCCCCC2CC2)C1	2216862737	ZTYZELUMGNVNIS-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1C[C@@]1(C)[C@H](N)CCCCCCCC1CC1	2216875872	VNOKKXIADLMIQX-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCCCCCC1CC1)C1CCC1	2216880177	RFKHIXPUKZFPNS-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@]1(CNC2CCC2)CCC[C@H]1C	2217124858	KXQDSLAKVRQHHM-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H]1C[C@@H](C)Nc2ccccc21	2220902603	RRWADEYCQGRDNX-APIJFGDWSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)CC1(C)CC2(CCC2)C1	2221018394	ZVNHQMALBMVNDN-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1ncccc1C1CC1	2221374115	IPFSUUYOOYGGOB-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CCC2CCCCC2)CC1	2221628713	DAWMEGYTXCBJKZ-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
C(CCCC1CC1)CCCN(CC1CC1)C1CC1	2223116004	FTOKOHOPCZVKIU-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C1=C[C@@H](NCCCCCCCC2CC2)CCCC1	2223159848	OHSLLWPMVRUVQL-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H](C)NCC1(C2CCC2)CC2(CCCC2)C1	2223570039	WSNLILZPFZNAQV-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNCc1ccccc1	2242068910	SJKMSMMPLHNVLG-MRXNPFEDSA-N	247.426	4.629	0	10	BJAE	
CCCC[C@H](C)C(=O)CCCC[C@H]1C[C@H]1C	2243054497	YFSJYLZEJUQDIN-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)CNc1cc(Cl)ccc1F	2244800793	HVKQTTDGBJESMU-JTQLQIEISA-N	243.753	4.717	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)c1csc(C)c1C	2246379350	WOLLIUJSFDPMJG-QMTHXVAHSA-N	248.391	4.540	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(O)CCC(C)(C)C2)C1	2246695168	SURNBHMXYLURPX-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(CCCC[C@@H]1C[C@@H]1C)C(C)(C)C	2247114922	TXTQDAGPJKQJCU-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@](C)(O)C1CCCCC1	2247117672	FGXORVVJZLFKBT-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCc1ccsc1CNc1cc(C)ccc1C	2248004030	QJMIKGMAUYJWOE-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CC(=O)c1cccc(-c2c(C)sc(C)c2C)c1	2248284259	VYHFSUGAWVGRKO-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CCC(CC)CC(=O)CCCCC[C@H]1C[C@H]1C	2248858343	QJVBEECYPOAYPN-HIFRSBDPSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CCCCC[C@H]1C[C@H]1C	2248870577	MMFBPWFLKZQTIE-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)C[C@@H]1C[C@H]1C	2250526084	AETRLMOUIKSJKL-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@H](C)C(C)(C)C	2250531412	XRTJIWBCMHDTLP-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC1(C[C@@H]2CN[C@H]3CCCC[C@H]3C2)CCCCC1	2253805236	FZXWHYBFHTVBFH-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CC2(CCCC2)C1)CC1(C)CC1	2254110982	YISFPJALAQQTFW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(N)CCC2(CCC2)CC1	2254603862	FHSSCYYHUWWQNQ-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCCCc1ccc(NC[C@H]2CCC2(C)C)cc1	2254966799	CRGYBENASJFZPC-OAHLLOKOSA-N	245.410	4.877	0	10	BJAE	
CCCc1ccc([C@H](NC)[C@H](C)[C@@H](C)CC)cc1	2256300436	GRXMMNYMILAOLN-JJRVBVJISA-N	247.426	4.582	0	10	BJAE	
CCCC1([C@H](N)CC2CC3(CC(C)C3)C2)CCC1	2259537972	CEWQERRGQRBHCC-MYLOQMAZSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)CC1=CCCCC1)C2	2259566447	IWHWAEHTVXZMOL-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@]23CCC[C@H]2CC3)C1	2260500229	JGHTWROSICMOPO-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCNc2ccc(F)cc21	2261339511	QWAFWPRCSFXYFU-GFCCVEGCSA-N	249.373	4.941	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CCC[C@@H]1C[C@H]1C	2297875913	CHOQVLDJVAUCKN-KLHDSHLOSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H](C(C)C)C1CCC1	2298839058	PQYGEPZJLKVZPJ-ZBFHGGJFSA-N	239.447	4.616	0	10	BJAE	
Clc1ccccc1NC(CC1CC1)CC1CC1	2298859344	VRYAKLAOAHBXHI-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](O)CC1CCCCCC1	2298918767	YREVXPXCBSFLBH-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@@H](C)CC2CCC2)C1	2298931817	CVRUXAQKAHUHEB-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@H]1CCC12CCC2	2300501620	PMZRVQVYPYGSBM-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC12CCC(CC1)C2	2300502291	YGTPTFLMDSAIRY-PCKAHOCUSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@@H]1CCC(C)(C)C1	2300681830	STLXACNQLLLVEW-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](C)[C@H]1CCC(CC)CC	2300682322	XVZOVWCIBLAVLL-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)C1(CC(F)F)CCC1	2300685621	HHYBGGHOMMFCLU-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@H]1CCC[C@H](C)C1	2300685719	ICGKILIGIUNSPF-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCC[C@H]1C(C)C	2300689918	CRGRBCZMTCAKHK-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C1(O)CCCCCCCC1	2301858619	ILGJFBUWYCCDTQ-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CCN(CCCC1=CCCCC1)C1CCCC1	2302351548	JTKKLAGSSDPLOO-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCCN[C@H](CC)CCC[C@@H]1CCC(C)(C)C1	2302751087	OUAWQAOHEGBNCW-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@](C)(F)C(C)(C)F	2307645496	IIVCXFMBPQKYDP-KBPBESRZSA-N	249.389	4.541	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CCCCC12CC2	2307816679	HKFGWSZNFJFYRA-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC1(CNC(C)C)CC(C)C1	2307896970	YYRFJVWVGGTAKM-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1C)C1=CCCCCCC1	2310971294	AZSLHJGOQGGSBJ-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(C[C@@]23CCC[C@@H]2CC3)C1	2313348878	OAYCGBYKGXODLR-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@H](N)[C@@H](C)CC(C)(C)C)ccc1C	2314694663	MNRMZLSLOXPUKC-XJKSGUPXSA-N	247.426	4.630	0	10	BJAE	
CCC(CC)CC[C@@H](NC)c1ccc(C)c(C)c1	2316237833	JJDSAYKNYQYYSV-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@@H]1CC[C@@H]2C[C@H]12	2316504870	YGXXFWGBPWBXGV-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1C[C@H]1C[C@H]2CCC[C@H]1CC2	2317009240	INNGOEDCSDUKJV-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1[C@H](N)[C@@H](C)[C@@H](C)C(C)C	2317823074	GTOCQDUVHXFIFH-GRDNDAEWSA-N	247.426	4.567	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C1=CCCCCCC1	2317983834	RXPMFHDLBIVBOE-KRWDZBQOSA-N	248.410	4.909	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@]12CCC[C@H]1CC2	2318570740	XZJJUKYKNOCPQV-RDJZCZTQSA-N	246.394	4.807	0	10	BJAE	
Cc1cc(OCCCC2=CCCCC2)ccc1F	2318585883	BQWCOYBNAYSPKN-UHFFFAOYSA-N	248.341	4.794	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)CCCC1=CCCCC1	2318592370	IHQGFUDQAUFSIS-WBVHZDCISA-N	249.442	4.812	0	10	BJAE	
CC1C[C@H](C)N(CCCC2=CCCCC2)[C@@H](C)C1	2318593151	QQUGFIBTQFXCOO-HOTGVXAUSA-N	249.442	4.776	0	10	BJAE	
CN[C@@H](CCCCC1CC1)CC1CCC=CCC1	2318877489	NANYFDXMXQMYBQ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@H](N)C[C@H]2CCC(C)(C)C2)c1C	2319024122	LEGLKXWELYNQQS-GDBMZVCRSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)C1	2319120214	AUONPLWZVZOJCA-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC(=C[C@@H]1CC[C@H]1C(C)(C)C)c1cccc(N)c1	2320239666	GIUJNNOKCPPBJR-GOEBONIOSA-N	243.394	4.744	0	10	BJAE	
CC1=C(C)C[C@H](C[C@](C)(N)[C@@H]2CCC2(C)C)CC1	2320328163	OWCQXZVOIDOLAU-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(O)CCCC(C)=C2C)CC1	2320336579	HBSNNJPZCDSBIM-DLBZAZTESA-N	248.410	4.764	0	10	BJAE	
CCCC1([C@H](C[C@@H]2CCC(C)=C(C)C2)NC)CC1	2320415982	GGAARZIIVJIXDV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CCN2CCC23CCCCC3)C1	2321586097	BJVBZRDJDNIIMW-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](CCC(C)C)c1cc(C)ccc1C(C)C	2327673608	RFDYWKONJOLGFK-QGZVFWFLSA-N	247.426	4.815	0	10	BJAE	
CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)O)c1	19801648	YYYWGLVNVBVEGV-UHFFFAOYSA-N	248.410	4.509	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2ccc(C)o2)c(Cl)c1	20471238	AMGFLLKEAXYBCQ-NSHDSACASA-N	249.741	4.723	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@H](C)CCC(C)C)c1	21513127	VQYDBGYJDDIABT-HZPDHXFCSA-N	247.426	4.779	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1ccc(CC(C)C)cc1	35459589	GNAFNGTWZVKBFM-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CCCCCC[C@H](CC(C)(C)C)NCCC	68890701	LZNODVGPRUYITJ-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
Cc1[nH]c(C(=O)C[C@@H](C)CC(C)(C)C)c(C)c1C	69233645	NINZXERMCFZXRK-SNVBAGLBSA-N	249.398	4.585	0	10	BJAE	
CSc1ccc(NC2CCC(C)(C)CC2)cc1	79619792	MZXYVLATBDBZAE-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CCC1CCC(C(=O)CCC(C)(C)C)CC1	83778210	KRGVRNLYRCOCRO-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)CC(C)(C)[C@@H]1CC[C@H](C)CC1=O	85155454	GNTWBPDZZLJZSE-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C)c1cccc2cc([C@@H](N)C(C)C)oc12	88074862	HXWTWWMZZLWXSD-ABAIWWIYSA-N	245.366	4.602	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(F)c(C)c1	109957545	QFJTZWWPWHFTKK-CYBMUJFWSA-N	237.362	4.905	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1cc(C)cc(C)c1	124404574	JREYZHJKRUNXQO-WBVHZDCISA-N	247.426	4.910	0	10	BJAE	
CCCCCC[C@H](N)c1cc2cc(C)ccc2o1	128964507	ILMWEGNIYNRJSQ-AWEZNQCLSA-N	245.366	4.711	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H](C)c1cc(C)cc(C)c1	132617834	RIIQTJSSKBHJSC-WMLDXEAASA-N	245.410	4.533	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C1CCC(C)CC1	161351907	SWIHEQSTKQTEBF-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@H](N)CC2CCCCCC2)c(C)c1	161909293	QAAFTMCKBYAULU-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
C[C@H]1CC[C@H](NC2CCCCC2)c2ccccc21	163659739	UQVQJSLVRAVOAX-GUYCJALGSA-N	243.394	4.547	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cccc2c1CCCC2	163736989	IXCPYHYGQAVGCX-CZUORRHYSA-N	243.394	4.556	0	10	BJAE	
CC[C@H](Nc1ccccc1C)c1cccc(F)c1	166415822	RKXBZMXZCUFSCV-HNNXBMFYSA-N	243.325	4.697	0	10	BJAE	
O=C(CCCC1CCCCC1)c1ccccc1	196027396	BFCQCKAUCVQSGL-UHFFFAOYSA-N	230.351	4.620	0	10	BJAE	
C[C@H]1CSC(F)=C1CCCc1ccccc1	196154414	DKHVASIICRPVJL-NSHDSACASA-N	236.355	4.573	0	10	BJAE	
CCCC(CCC)[C@H](NC)c1ccc(CC)cc1	211794598	GZAITNUYYAPHIT-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCC[C@@H](NCCC1=CCCC1)c1ccccc1	228578846	CXDMYUCWFHCPEE-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)CC2CCC2)c(C)c1	229690279	BNOFCXFQZXRXDN-LSDHHAIUSA-N	245.410	4.533	0	10	BJAE	
CC[C@@H](N[C@H](C)CC1CCC1)C1CCCCC1	229694827	OLDMANLMJZSYEK-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CC(C)(C)C[C@@H]1C	232545883	HVIJWBRAVSYABC-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2cc(C)ccc2C)C1	235714308	BBEHETPSUKWTHB-CZUORRHYSA-N	243.394	4.708	0	10	BJAE	
O[C@@H](CC1CCCCC1)C1=CCCCCCC1	236516759	HPTYRIKLNMPFOF-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](CC)CC[C@H]1NCC	250800521	CLNQNVUFNQWVKG-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCCC[C@H]1C(C)(C)C	251101788	DNQWJPGYXQLPQA-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCN[C@H](c1ccc([C@H](C)CC)cc1)[C@H](C)CC	251369149	QJMJSCNEIIAORW-CPUCHLNUSA-N	247.426	4.897	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCC23CCCCC3)[C@@H]1C	299949703	CMSUMOVQLAMAFS-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)Cc1ccc(C(C)C)cc1	302296239	DJZSXBZOCQUUCU-YOEHRIQHSA-N	248.410	4.540	0	10	BJAE	
CC(C)C[C@H](C)Cc1ccc2c(c1)CC[C@@H](C)N2	302374947	OYXOUWNBGIYMOZ-UONOGXRCSA-N	245.410	4.658	0	10	BJAE	
CC(C)C[C@@H](C)Oc1ccc(C(C)C)cc1	304520582	PHRDLAYLAPLNRH-CYBMUJFWSA-N	220.356	4.623	0	10	BJAE	
Cc1ccc(Cl)c(OCC2(C)CCCC2)c1	309398609	TZJMLHSPWHNSFR-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@]2(O)CCCC(C)(C)C2)C1	310102399	BWGMQXQFAVKYQV-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](NCC)[C@@H]1CCCCC12CCCC2	310283298	PXQJAVPQQBGTFV-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C[C@H](O)C[C@H]1CCC[C@@H](C)C1)C(C)(C)C	310420703	NZVGTYDPLZWASU-QPSCCSFWSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](c1c(C)cc(C)cc1C)[C@H](C)CC(C)C	310616067	APUPUAFIYBFEMF-NVXWUHKLSA-N	247.426	4.555	0	10	BJAE	
CCc1ccc(OCC2CCC(C)(C)CC2)cc1	311042654	VLEADDXJSDVWTC-UHFFFAOYSA-N	246.394	4.844	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCC2)CCC[C@@H](CC)C1	317539147	ATONCYBIKIJWIR-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC23CCCC3)c(C)c1	328100633	KZIKYQMURMNWFJ-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
C1=C[C@H](NC2CCCCCCC2)CCCCC1	379817607	RTFSHJNOMUHFIH-HNNXBMFYSA-N	235.415	4.578	0	10	BJAE	
Cc1ccc(O)cc1-c1cc2ccccc2s1	383285640	KHNUGHVXEJYNLM-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CC(C)CCCCC[C@]1(O)C[C@H](C)CC[C@@H]1C	383586953	WZNXMKFWRTWLDJ-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CC1([C@H](O)CCC2CCCC2)CCCCCC1	394602370	NQFCZHHMUVORIY-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCc1sc2cc(SC)ccc2c1CC	396160066	DHOAGOZDWSHWFJ-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
C[C@@H](C(=O)CC1CCC(C)(C)CC1)C(C)(C)C	399184574	SOFRSPJMYNTIRQ-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CC(C)(C)C1CC1	405713770	FUFBXEGMNNXFNG-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@](C)(O)CC1CCCC1)c1ccccc1	689869436	OZHKSDHCTXMBMA-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
Cc1cc(NC(C2CC2)C2CC2)cc(C)c1Cl	690267373	PUHMUVFMRHAPAY-UHFFFAOYSA-N	249.785	4.557	0	10	BJAE	
CN[C@@H](CC(C)C)[C@H](C)c1ccc(C(C)C)cc1	695054883	QNPSSWULCSSVLU-PBHICJAKSA-N	247.426	4.548	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1CCC2(CC1)CC2	695624457	YUKKUXHJOQJFSC-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@]1(CNC(C)(C)C)CC1(C)C	702213401	FZMABDWRVXSYCI-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
C/C=C/[C@@H](NCCC)c1cc2ccccc2s1	704671839	ISVHUXFMKMSJEY-LPZVBRGNSA-N	245.391	4.518	0	10	BJAE	
CCOc1ccccc1NC[C@H](C)CC(C)(C)C	709213629	NJZNMMYTZCEMNJ-CYBMUJFWSA-N	249.398	4.570	0	10	BJAE	
CC[C@H](C)C[C@H](O)C1CC(C)(C)CC(C)(C)C1	711146695	CEVYARZHWMAOTN-JSGCOSHPSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](CCCC1CCC1)c1c(C)cccc1C	711164509	CQIFZADESLAOJC-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)CC1CCCCC1	713042365	JDEVQEGRFGBLJE-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](CC(C)(C)C(C)C)NC	713217885	RWTRNNFGUVTFQG-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@@H](CC(C)(C)CC)C1	713264164	MLFPRBBZOYEQLG-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCN[C@H](C)c1ccc(C(C)C)cc1	713496518	QJQAIMCTPUHGAB-LQYUOIDQSA-N	243.394	4.593	0	10	BJAE	
CCCCCC[C@@H](CCC(C)=C(C)C)NC	718575546	ZSARKWZWUIGSDS-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H]1CCCCCC1(C)C	719279016	ZTTCXWUCNIFSTJ-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](NCC)c1cscc1C(F)F	720339991	SFALLBNOQGJFMX-LLVKDONJSA-N	247.354	4.527	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1c(C)sc(C)c1C	722499680	ZLBNKHYPXULAAH-OTYXRUKQSA-N	240.412	4.533	0	10	BJAE	
C[C@@H](C[C@H](N)CC1CC(C)(C)C1)CC(C)(C)C	723568798	QHBBEOGURGOLIB-JSGCOSHPSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](NCCC2CC=CC2)C1	724204920	JXKXQEPNFRLLFY-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@H](C)C1CCCCC1	1182469255	AMANWRBLDJJHCE-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)SCCC(F)=C(F)F	1473025491	CNJABSZQJSNEFV-MRVPVSSYSA-N	226.307	4.766	0	10	BJAE	
CCc1ccccc1CSCC(C)(C)C	1613782119	HXDATPQPTSWNGZ-UHFFFAOYSA-N	222.397	4.528	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1cc(C)cc(C)c1	1661019567	ZWLCGUSWVSVUFC-WBVHZDCISA-N	243.394	4.708	0	10	BJAE	
CC(=CCc1cnsc1C)CCCC(C)C	1900823903	WZKYMIJWKMOLRW-UHFFFAOYSA-N	237.412	4.767	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1(CC)CCCC1	1905436321	YYGCVPWZDWTHDY-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H](CC)CCC)C(C)C	1905453757	MHHHJMDWKVOLKK-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CCC1CCCC1	1907592353	CFGONRRHGAEJMD-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C=C(CNC1CC1)C(C)C	1911828530	IVFXUEUFNGTQHY-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@@]1(CNC(C)(C)C)CC[C@@H](CC)C1	1911895816	BXBOPGPEFOEADG-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC=CCCN[C@@H](CC(C)(C)C)c1ccccc1	1911989475	WIXGAWVUYZTTDU-INIZCTEOSA-N	245.410	4.720	0	10	BJAE	
CC(C)(CCN[C@H]1CCC2(CCCC2)C1)C1CC1	1916430613	MOLYVTVPUAHWLN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCC3(CCCC3)C2)c1	1916438196	OERJYAQSEJUSIO-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@H]3C[C@@H]3C2)cc1	1917328475	GJGHUTLQJRFWDK-WOSRLPQWSA-N	243.394	4.585	0	10	BJAE	
CC1(C)C[C@@H]1CCNc1cccc2ccccc12	1921564066	QIOGNRQMKARACY-AWEZNQCLSA-N	239.362	4.688	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@H]2CCCC23CCC3)C1	1921585373	FOKVCSMRTUEZAL-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@H]1CCCC12CCC2	1921612433	HYZBRAUNBPBMOV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H](C)C1CCCCC1	1924099668	LBQVYCXMWAXNJH-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@H]1C=CCCCC1	1925926082	QOIAFXOMWHBGAS-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)C[C@@H](CCC(C)(C)C1CC1)NC	1926340311	VSNOXNIYWQJCLW-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
Cc1cscc1N[C@@H]1[C@H](C)CC[C@H](C)[C@H]1C	1935907273	BYRQWLCLSMUYGY-UZWIWUQPSA-N	237.412	4.539	0	10	BJAE	
Cc1ccc(C(=O)CCCCCC2CC2)s1	1936420265	OZBQWXLUKJDGAM-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C[C@@H](C)C(C)(C)C	1937169672	RLBJRJUPEPUJJU-CHWSQXEVSA-N	226.404	4.700	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCC[C@@H](C)CC1	1939904666	ZBCBIDWBKFQMEL-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CC1CCCC1)NCC	1941262506	FVRGWXOBSAWZPG-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@](N)(CCCCCC2CC2)CC1	1941590795	FOKDIXHIYLXMPG-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCCCC[C@H](O)C1(C)CC(C)(C)C1	1941988869	TUACKFHETLLUFP-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCCC(=O)C(C)(C)C1CCCCC1	1944644122	BGZUKWICJJNDLI-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@@H](C)[C@@H](C[C@@H]1CCC[C@H]1C)NCC	1944845904	LGHLZAZMTATTPM-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCC1(O)CC(C2CCCC2)C1	1945938830	WGXODDXDUKKMRY-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC1CCCCCC1	1947453463	PKMTXQHLFUVQCE-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCC1(C)CC(CN)(CCC2CCCCC2)C1	1948405553	OIEKDWPBVLGHPM-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CC(C)(C)C(C)C	1949006456	KNJJZHNPSDJQPY-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H]1CC12CCCC2	1950667149	CDEWUKOAZYGLSK-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@](CO)(CCCC(C)(C)C)CC1	1950909010	SIXMFNGKVBJKRJ-GDBMZVCRSA-N	240.431	4.782	0	10	BJAE	
CCC(CC)CNC[C@@H]1CCCC(C)(C)CC1	1950922113	LRDYZFBJXQIIFX-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CCCC(C)(C)C	1950970351	IAXMOMVREKMFIS-SOUVJXGZSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cc(C)c(Cl)s1	1960262082	FYVLMLMYKOBNIB-VXNVDRBHSA-N	244.787	4.575	0	10	BJAE	
CCCc1ccc(CNC(C)(C)C(C)(C)C)cc1	1963210187	TZIGREFQJKAHGQ-UHFFFAOYSA-N	247.426	4.553	0	10	BJAE	
CCCC[C@H](CC)NCc1ccc(C2CC2)cc1	1963229095	PUBVDMVGZSZHIF-KRWDZBQOSA-N	245.410	4.622	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1ccc(C2(C)CC2)cc1	1967848447	RHPDUDVEHCASQW-BBRMVZONSA-N	243.394	4.729	0	10	BJAE	
Cc1ccc(NCC2[C@H]3CCCCC[C@H]23)cc1C	1968254115	BKXMRKWEPQLTKC-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
CCc1ccccc1NCC1CC(C(C)(C)C)C1	1968359863	HUQZITQBVAGGMN-UHFFFAOYSA-N	245.410	4.733	0	10	BJAE	
CCCC1CCC(CN2CCCCC23CC3)CC1	1969491963	MMKIQZIRXYYASB-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NC1CC(CC)(CC)C1	1972937332	ZDAABBXZCCJHGZ-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](NC[C@H]1CCCC12CC2)C1CCCCC1	1973088211	XDQSSCBTAUZAIR-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](C)(CCC(C)(C)C)CNCC	1978637899	JNJKDXAKRUUALY-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
C[C@@]1(CC[C@H]2C=CCCC2)CCCC1(F)F	1979998520	YDCCPCBVJGQZRE-STQMWFEESA-N	228.326	4.948	0	10	BJAE	
CCCC(CCC)CN[C@H](C)CCC(C)C	1981289413	LJTYMYUWBMZXJO-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](N)C1(C)CCCCCCC1	1981416393	OLVGEXKXRDLGRK-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CC=CCCC[C@H](O)C[C@H](C)CC(C)(C)C	1984607724	QIAXLRANTSKVOQ-KBPBESRZSA-N	226.404	4.556	0	10	BJAE	
CC(=O)c1cscc1-c1ccc(C2CC2)s1	1987178896	AGESRMOWTVUQPZ-UHFFFAOYSA-N	248.372	4.557	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@]1(C)CC=CCC1	1997552942	VAWTVMVFIHUNSE-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@H]1CCC=CCCC1	2000003914	LTASTKXJJHDSDK-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)[C@H]1CCCC(C)(C)C1	2000161807	HWMOIGSNOXUWRF-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	2000214890	KLLSMKUQKZANBK-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CCCC(CCC)[C@@H](N)C1CC(C(C)(C)C)C1	2002306573	OCDXTYZRKSHOGK-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CCCCC1CCC(N)(C2CC(CC)C2)CC1	2002336293	RDWOSOWYVKMXHP-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC([C@H](C)[C@@H](CCC)NC)CC1	2002921301	NHEPKWPPJJGXGB-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CC)CCCC(C)(C)C1	2002993836	OCRSVFQRUYFHGO-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)[C@H]1CCCC(C)(C)C1	2003017573	SKZSVKGLBOYQBT-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@H]1CCCC2(CC2)C1	2003193700	ZUWSCESJJQZHOC-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@]12C=C[C@@H](CC1)C2	2003331724	XSFUFJOKNWGUPD-DZKIICNBSA-N	234.383	4.518	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)[C@]1(C)C=CCCC1	2003334919	PDQUVVIIPKSWBJ-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
CN[C@@H](CC[C@@H]1C=CCCCC1)c1cccs1	2003679145	HIWYIFPHYPCWBG-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H]1CCC(C)(C)C1	2004228914	QNCXOZGYVVYTCS-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCC[C@@H]2CC[C@H]21	2004796864	DZQNNPQUTLRQML-LALPHHSUSA-N	249.785	4.639	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccc(CF)cc1	2007025552	KRYYXYSTEBUISH-UKRRQHHQSA-N	235.346	4.537	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H](CC)C(C)C	2007939010	CVSBOAIHQOATET-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@]1(C[C@@H]2CCC[C@@H](CC)C2)CCCN1	2009058022	ACRYPOBWTZBAEY-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)CCC1=O)C(C)(C)C	2009404900	SHLBSUPAJTXBFZ-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C1(C)CCCCC1	2009550457	YQLRARUQSBMOEE-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCCc1ccc([C@H]2CC2(F)F)cc1	2009593545	BORLMIPZMSGDHG-BAABZTOOSA-N	236.305	4.708	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H](CC)C(C)C	2009616284	HPIOPGXZRBTKNN-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C1=CCC(C)(C)CC1	2010711808	DDWDFIWNYVSEEC-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011947462	BITNPMHDGBJTQR-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H]1C[C@H](NCCC)CC(C)(C)C1	2012042245	SBHGNTBKFBUGAK-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC(C)(C)C)CCC1(C)C	2014849136	LBAWBTFVLKYLPE-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC[C@H](O)CC1CCCC1)C(C)C	2015276882	BXNYGQKLOLQQEI-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@H](C)CC(C)(C)C)CC1	2015761458	XRLCARAZCHOGRB-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(F)C[C@H]1CCCCCCCC[C@H]1O	2017418848	HYDYMDUJOUCMFO-UKRRQHHQSA-N	242.378	4.751	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(O)CCC2CC2)CC1	2017649060	RQCVELIGXDQEBA-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCC1(Cn2ccc3cc(C)ccc32)CC1	2018922395	VQBUQZWGULBOFO-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCCN(C1CCCC1)[C@H]1C=CCCCCC1	2019125522	BLEHBUHIOLQDLC-HNNXBMFYSA-N	235.415	4.530	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)CCCC(C)(C)C	2019326573	WQJRRARFDWPGLO-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
C/C=C/CCC[C@H]1CCCC(C)(C)[C@H]1NCC	2020364499	RABSEFRNDBEEDW-CJKAQPIMSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)C[C@@H](C)CC(C)(C)C	2022490968	XLNKZGWTVXPUGA-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H]1C[C@H]1C(C)C	2022625071	ZQFKQFLYQIGCKP-PMPSAXMXSA-N	239.447	4.569	0	10	BJAE	
O[C@H]1CCCCCCC[C@H]1CC(F)=C1CCC1	2023250374	YMDCJDHZDZWTEK-ZFWWWQNUSA-N	240.362	4.505	0	10	BJAE	
CCC1([C@H](O)CCCCC(C)(F)F)CCCC1	2023306333	HWZJLVZNJIYPRS-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CCC[C@@H]1CC1(C)C	2023319958	RWBUYRBNJUIOQX-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CN(CCCCC(C)(F)F)CCCC(C)(C)C	2023364630	RSQKYWPFQYUEJJ-UHFFFAOYSA-N	249.389	4.570	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CC[C@@H](C(C)C)C1	2025616097	YLSXYWNLWUKGMH-ARFHVFGLSA-N	239.447	4.568	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@@H]32)CC1	2027339168	ACFHPVLNJRYLAQ-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC1CC(CC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2027590746	LTFCBUIBMZUQRR-SVXVCFNTSA-N	248.410	4.598	0	10	BJAE	
CC1(CCCN[C@H]2CCCCC23CCCC3)CC1	2027854487	FNPSDDKIHOGOAG-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCCCC[C@H]1Nc2cc(C(C)(C)C)ccc2O1	2027860292	MHAQZUADZRDNQR-HNNXBMFYSA-N	247.382	4.695	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C(C)(C)C2CC2)cc1	2028110033	QVFJHLKXVORMLX-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C)c1cc(C(C)(C)C)c2occ(O)c2c1	2028116973	AGHSAKXEIWDSLA-UHFFFAOYSA-N	246.350	4.733	0	10	BJAE	
CCC[C@](N)(c1cccc(C2CC2)c1)C(C)(C)C	2028552358	ONBNQUQIZVRQHL-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CN[C@H](CCCC(C)C)c1ccc(C2CC2)cc1	2029080403	HFWJXJRUKNTLAZ-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
O=C(CC1CCC1)c1ccc(C2CCCC2)cc1	2031751385	CYUWBDPJHQJMRJ-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC(C)=C(C)CCN1CCC2(CCCCCC2)C1	2032380956	GVQYGQVWPMGWAP-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CCNCC1(C[C@@H]2CCC[C@@H]2C)CCC=CCC1	2032504333	AJRCSYCXPFZAFK-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CC(C3CCCC3)C2)C1	2033766885	JQSSFKWVQARLIU-AKBUMOGYSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(NCC(C)(C)C2CCCC2)c1F	2034016021	FXEZFBREIQPVRN-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)C2(CC)CCC2)cc1	2039726775	OHVAUEFMAWXEKQ-CZUORRHYSA-N	246.394	4.814	0	10	BJAE	
C[C@H]1CCC[C@@H](CNCC2CCC=CCC2)CC1	2041533339	PMGMFDUJHPXRQW-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H]([C@@H]1CCC(C)(C)C1)[C@@]1(C)CC=CCC1	2042017117	RBURQTFFIMGAQY-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@@H](C)C1CCCCC1)[C@H]1C=CCCC1	2043191867	SNLOCCSTCZXSLD-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(N)C2CC3(CCC3)C2)C1	2043539905	GZSWYXXKUDRYCU-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)([C@H](N)C[C@H]2CCC=CCCC2)C1	2045319409	DDDXQYMLERBIOG-LSDHHAIUSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)(CC)C(=O)Cc1cc(C)ccc1C	2045608301	ISAFNZNSAYXJFB-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@H]1CC12CCCC2	2047009316	QGXBRFWLXAYOKO-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@@H]1CN[C@H]1CCCCC12CCCCC2	2047592698	LHUCNKYIIKTVQQ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1[C@H]2CCCC[C@H]21	2048466971	HVNYCZHDNJABSL-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1CC(C(=O)[C@H]2CCCC3(CC3)C2)C1	2048617113	QYAOUMOYFNGZTI-HSBZDZAISA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C[C@H]2C=CCCCC2)C1	2049534471	XVPPELBXSPRODR-YYIAUSFCSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2cccc(C3CC3)c2)CC1	2049637822	DOMOZCSPSJHTTH-MQMHXKEQSA-N	242.362	4.573	0	10	BJAE	
N[C@@H](CC1CCCCC1)CC1CCC2(CC1)CC2	2049858589	PKIJGIYRYQQEGY-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1([C@@H](N)C[C@H]2CCCC3(CC3)C2)CCC1	2049867477	VGAIXLBCUDVOKZ-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@@H]1CCC2(CC2)C1	2049935391	IHXNSHXFUVWFJW-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CCC1)[C@]1(C)C=CCC1	2049991477	HTJAPZQFYILIOL-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H](CC)c1ccccc1	2051409703	TXTSZOOQABKXMT-DLBZAZTESA-N	245.410	4.515	0	10	BJAE	
CC1=CCCC[C@H]1NCC(C)(C)C1CCCCC1	2055669509	LLXXGXFOSDVTEK-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)C1(C)CCCCCC1	2056879067	PORXKCVXCJKHGC-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C=C2CCCCC2)CC1	2056915505	BCYQZYQNZLTMGL-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
N[C@@]1(C=C2CCCC2)CCCCC12CCCCC2	2056918870	DKTCYCZDWPZARF-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
Cc1ccc(NC[C@H](F)C2CCCCC2)c(C)c1	2058028796	ATBXQAVUCMMDJB-HNNXBMFYSA-N	249.373	4.634	0	10	BJAE	
Cc1ccc(NC[C@H](F)C2CCCCC2)cc1C	2058029110	DFBRLOQYDSDFTN-INIZCTEOSA-N	249.373	4.634	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1ccccc1C(C)(C)C	2059203492	KVBHUHWUSZXFPE-SQRWCISFSA-N	245.410	4.730	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1CCC[C@H]2C[C@@H]21	2059224872	GVALMKBJFWVQPH-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@H]1CCCCC12CCC2	2059261825	HPPBHNNXLNQPOV-OBMMGQTPSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2061084610	LEMXGYAZNYZNPL-SSOQLKFYSA-N	249.442	4.523	0	10	BJAE	
CN[C@H](C1=CC[C@H](C(C)(C)C)CC1)C1CCCC1	2061096009	RBQAIUDNAOAHEH-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(N)CC[C@@H](C)C[C@H]2C)CC1	2061121159	CXOGWOUWSZAVBW-KCYZZUKISA-N	249.442	4.523	0	10	BJAE	
CC(C)NCC1(CC[C@]23CCC[C@H]2C3)CCCC1	2061611015	DJVRJTMRRQDAEQ-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C)[C@@H](CC1CC(=C2CCC2)C1)C(C)C	2061738026	XYGMIXLWPGPGNI-GUYCJALGSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CCC[C@@H]1C[C@@H]1C	2062600295	YTYPIXOKFLUXGN-JJRVBVJISA-N	246.394	4.670	0	10	BJAE	
CCC[C@](N)(CC12CCC(CC1)CC2)C1CCC1	2065337369	MISUEWADJWMWHY-PREGVCBESA-N	249.442	4.645	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc2[nH]ccc2c1	2065990411	NMEMNBATSXOTAW-CQSZACIVSA-N	244.382	4.795	0	10	BJAE	
Cc1ccc([C@H](O)CC(C(C)C)C(C)C)cc1C	2068845874	VYWSQRDSXWCDCC-QGZVFWFLSA-N	248.410	4.655	0	10	BJAE	
CCN[C@H](C1CCCCCC1)C1(CC2CC2)CC1	2069517649	OQANFTJDIDSLJM-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@@H]1CC2CCC1CC2	2070308010	JOZPVBAFXQRCRB-SJJHQCBESA-N	249.442	4.667	0	10	BJAE	
CC(=CC1(C(C)(C)C)CCC1)C[C@H]1CCCCN1	2071949461	JOUPTPVTKHEKGD-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCCC[C@@H]2C2CC2)CCC1	2071954777	YESYSNJAPYBBJG-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CC1(CN2CCC[C@H]2C2CCCCCC2)CCC1	2071965882	YZEKUHMXCSWUTI-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCCC1CCC(CN[C@@H]2CC23CCCC3)CC1	2072795821	ITCCTJQLRQIOEL-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)C[C@]23CCC[C@H]2C3)CC1	2072797253	XSLUNTYXHWFGRU-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
C1CCC2(CC1)CC[C@H]2N1CCCC12CCCC2	2075017419	UEWJKDKGOCDRDD-OAHLLOKOSA-N	247.426	4.508	0	10	BJAE	
C[C@@](O)(CCC1=CCCCC1)C1CC2(CCC2)C1	2075722333	VSCRFJICSRDULU-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1(CC2CCC2)CC1	2077188148	TZAGTKRFFCZXLA-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
N[C@H](C[C@@H]1C[C@@H]1C1CCC1)C1CCCCCCC1	2079292915	APCHAYZDDBVXCJ-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC1(CCC[C@H](N)[C@H]2C[C@H]2C2CCCCC2)CC1	2079433886	CKINMTZAITWVAL-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
C1CCCC([C@H]2C[C@@H]2NCCC2CCCC2)CC1	2079529517	MALCRMUXZLYZAL-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@H]1C1CCCCCC1)C1CCCC1	2079818060	HKWKPJGMFRPBKV-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1C[C@@H]1c1ccccc1	2079868263	XHTNDCNNEQTJMC-DOTOQJQBSA-N	244.378	4.576	0	10	BJAE	
CC1(C)C[C@H](N[C@@H]2CCCC3(CCC3)C2)C1(C)C	2084369607	ZLZVCYYNFKXDHS-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)[C@@](C)(O)CCCCCCC1CC1	2210526828	JSJYSHHHENRIFN-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCCCC(=O)c1cc(C)c(Cl)cc1F	2210735537	SLMVSLJNSBMJPB-UHFFFAOYSA-N	242.721	4.551	0	10	BJAE	
CC[C@H](C)CCNc1cc(C)c(Cl)cc1F	2210739335	VPGHYNGUHISADZ-VIFPVBQESA-N	243.753	4.636	0	10	BJAE	
Cc1cc(Cl)cc(O[C@@H]2CCCC[C@H]2C)c1	2212529659	CBZOCMGVDMWEBR-BXUZGUMPSA-N	238.758	4.606	0	10	BJAE	
CC1(C)C[C@@H]1[C@@](C)(O)CCCCCCC1CC1	2213575377	FPYGXWRKRZSNKL-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)CC1(C)CC(C)(C)C1)C(C)(C)C	2215434137	UHTVNMKSIWHGMU-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC[C@H]1CC=C(C)CC1	2215833586	KTFZDOLJRXZQQU-CWRNSKLLSA-N	237.431	4.537	0	10	BJAE	
C[C@]1(CNCCCCCCC2CC2)C=CCCC1	2218732786	UDUHYCTZMVULMA-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)CC1(C)CC2(CCC2)C1	2221038097	FHQNVEVEKIFDMZ-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
NC[C@@H]1CCCC(=CCCCCCCC2CC2)C1	2223130430	MRCAEUMOZSCUBD-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1c(C)cc(O)cc1C	2223336857	YSSTYBQCZGLFIO-FZMZJTMJSA-N	249.398	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)c1ccsc1	2243904148	ZDIFESOLSXSOPV-NEPJUHHUSA-N	236.380	4.537	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc(C)cc1Cl	2244774234	FVGLAHVQDXPSCU-NSHDSACASA-N	238.758	4.657	0	10	BJAE	
CC1CC(CCC(=O)CCCC(C)(C)C)C1	2245507903	JOBWQXJDVHMFGR-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@@H]1CCC12CCC2	2247387741	RTNIDYGUSGNTGH-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CC(C)CC[C@](C)(O)CC[C@H]1CCCC12CC2	2247622260	NIEYJCUPMIDRDT-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC1(CC(=O)c2csc(C3CC3)c2)CCCC1	2248068261	GXSDJJULXIEPPH-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
Cc1ccccc1NC1CC(C[Si](C)(C)C)C1	2249656824	ZHKXURSMDKXPPV-UHFFFAOYSA-N	247.458	4.524	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)[C@H](CC)CCC	2250360358	WUAFGCQBWGAYGJ-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@]12CCCC[C@@H]1CC2	2251218627	UIFMARRIWSNEHR-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1ccc2ccsc2c1	2253059729	IIFLXUDCEMZBGO-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CC1CC(C)(C[C@@]2(N)CCCC23CCCCC3)C1	2253654241	JCEPDUXAUOBIRT-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@H](N)CC[C@H]1CCCCC12CC2	2253864270	NHVPDVJPNFZRCW-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CCC[C@H](O)c2ccccc2)C1	2253994899	HOXKAWCTHIHMBG-UXLLHSPISA-N	246.394	4.717	0	10	BJAE	
CCCCC1CCC(N)(CC2=CCCCC2)CC1	2255052048	ORIAKWPUMXNTJI-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CC1CC(CNC(C)(C)C)(CC2=CCCCC2)C1	2255093671	GZQPCGOETUTZBZ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1CCCC12CC2)NCC	2255228509	STYXVPAORGGWMD-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)CC[C@@H]1CCCC12CC2	2255254850	YSNSRUPOQFMIEF-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNC1CCC2(CC1)CC2	2257316539	RQQXTHBXMVKDSR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC[C@]12CCC[C@@H]1CC2)C1CCCCCC1	2260573956	KFYCNFSGHUDWIM-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@@]23CCCC[C@@H]2CC3)c(F)c1	2260628570	SYUPAJLVNNVENA-CJNGLKHVSA-N	247.357	4.516	0	10	BJAE	
CCC(=O)CCCc1c(C)c(C)c(C)c(C)c1C	2263185806	HKQKRNMWBGTEPW-UHFFFAOYSA-N	246.394	4.531	0	10	BJAE	
CCC(CC)CC[C@@](C)(CNC1CC1)C(C)C	2300675554	GJIQEIPNUTXPTK-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1CC(C(C)(C)C)C1	2300675705	HKZLXCMNEWLQKB-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
CCNC[C@@]1(CCC(CC)CC)CC[C@H](C)C1	2300703392	FPUGWDHGGPLWOU-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC(=CC[C@H](O)CC(C)(C)F)CCCC(C)C	2300893341	QGNFORBJSBDGEM-AWEZNQCLSA-N	244.394	4.648	0	10	BJAE	
Fc1ccc(CCC2CC=CC2)c(C2CC2)c1	2301288369	DTKBYBSXVZCKEK-UHFFFAOYSA-N	230.326	4.602	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C1=CCCCCC1	2301951574	AZKOHLCGFUMYKP-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
CC1(C)C[C@H]1c1csc([C@H]2CCC[C@@H]3C[C@H]23)n1	2302268215	MQPJKQXGLSWZQM-RHYQMDGZSA-N	247.407	4.560	0	10	BJAE	
C1=C(CCCc2nc(C3CC3)cs2)CCCC1	2302348498	DAHIWLUZCQKAQM-UHFFFAOYSA-N	247.407	4.844	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCC[C@@H]2C[C@H]21	2302911233	TVQUBTZBFZQWKZ-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CCC(C)=C(C)C1	2303457948	AIFOGWNQWPDWNL-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C[C@@H](C)C2CC2)CC1	2303577172	GAEOEKIESCIXKL-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2(C)CCCC2)CC1	2303592474	LESCKTOLCJCYBD-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
C/C=C/CCCNc1cccc(C(C)C)c1F	2307557393	PXVQEIUHPNZJLP-SNAWJCMRSA-N	235.346	4.717	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CC[C@@H](C)[C@H]1C(C)C	2307835025	NCPIYRFKIHYNMV-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@]1(C)CC=C(C)CC1	2307891659	ABNJDOBJGNWKEO-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(C[C@@]23CCC[C@@H]2C3)CC1	2310894376	FQZWJKLCADDGKT-VVLHAWIVSA-N	249.442	4.645	0	10	BJAE	
CCC(C)=CCNc1ccc2c(c1)CCCCC2	2316495056	CHXBQMXFJRMLHN-UHFFFAOYSA-N	243.394	4.724	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@]12CCCC[C@H]1C2	2316536358	MINUWQZNRKLJSR-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC[C@@]1(CN)C[C@H]2C=C[C@H]1CCC2	2316771525	SHFMFJHRKRAVNU-ZACQAIPSSA-N	249.442	4.524	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@H]1C[C@H]2CCC[C@H]1CC2	2316791306	MPOAIVYIKYNBGJ-PZSRAZBMSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1C[C@H]2CCCC[C@H]21	2316884264	KUUXAEBZLORFPB-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1ccccc1C1(C)CC1	2317830592	INPPXFCFBVGSTG-KBPBESRZSA-N	245.410	4.831	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](C)[C@H](C)C(C)C)cc1	2317833125	ZOHFGOMGGXINDF-KGLIPLIRSA-N	246.394	4.750	0	10	BJAE	
CCCOc1ccc(N[C@H](C)[C@@H](C)C(C)C)cc1	2317994686	KMJLRYBZCZCTON-UONOGXRCSA-N	249.398	4.568	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)c1ccoc1C	2318575454	FLKPHNNUFYTZIX-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
CC(C)C1(CN(C)CCCC2=CCCCC2)CC1	2318583236	MVYWEKGBYNOZQY-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@]12CCC[C@H]1CC2	2318889203	UUGNRMJDOWZSGG-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)C[C@]23CCCC[C@@H]2CC3)C1	2319001226	RKERKSZBOZSYFO-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCCNC23CCCC3)C1	2319138927	PPSKDEKDCMCNHG-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)C2(C)CCCCC2)CC1	2320334760	RXMHDFGAHTUOCD-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC1=C(C)C[C@H](CNCCC[C@H]2CC2(C)C)CC1	2320375774	XASLBNIEQJKCEY-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@H]2C[C@@H]2C(C)C)c1	2320570236	JNBUVNHZJGLRHT-HZPDHXFCSA-N	244.378	4.675	0	10	BJAE	
CCc1cc(F)cc(NC2CCC3(CC2)CC3)c1	2321090194	XTRGPLUCNPLBRX-UHFFFAOYSA-N	247.357	4.523	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@](C)(N)[C@H](C)C(C)C)c1	2327676370	WCKSZCCWCNZUAJ-PBHICJAKSA-N	247.426	4.584	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)c1ccc(C)c(C)c1	2328189422	IOYKFBBTPGSRIO-WBVHZDCISA-N	247.426	4.694	0	10	BJAE	
Cc1ccc(NCC[C@@H](C)c2ccccc2)cc1	34540819	VDDSCZYYQQBBPD-OAHLLOKOSA-N	239.362	4.601	0	10	BJAE	
CC[C@H](C)c1ccc(NC(C2CC2)C2CC2)cc1	36953619	SEHBFPFOQZXACT-LBPRGKRZSA-N	243.394	4.801	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)C1CCCCC1	37214026	DQQHZXJXXLOBBX-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CCCc1cc(Cl)c2cccc(C(C)C)c2n1	37413101	BJTYYGSWTZSYKF-UHFFFAOYSA-N	247.769	4.964	0	10	BJAE	
CCCCCn1c(C(C)(C)C)nc2ccccc21	40239209	IUJKOOKXDIBPGY-UHFFFAOYSA-N	244.382	4.524	0	10	BJAE	
CC[C@H](C)c1ccc(/C(=C/CCN)C(C)C)cc1	71560225	IIUQKBWTCZKPBC-NOICUEDQSA-N	245.410	4.588	0	10	BJAE	
Clc1cccc(N[C@@H]2CCC[C@H](C3CC3)C2)c1	81623921	OKGAQBDDXLIRNR-GXTWGEPZSA-N	249.785	4.721	0	10	BJAE	
CCC[C@H](C)CNc1c(C)cc(C)cc1Cl	83367706	GOUJMVRDPNLKAC-JTQLQIEISA-N	239.790	4.805	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1CCC[C@H](CC)C1	83786604	LSVPAHXWOKGCIV-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C)COc1cccc2ccccc12	85152105	UNHAWHBFAIXGLR-CYBMUJFWSA-N	228.335	4.655	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](Nc2ccsc2)CC1	85527694	BXVOVQAZLAMCJA-OLZOCXBDSA-N	237.412	4.765	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CCC)CCCCCN1	85876258	XLWJQTVWIIWLPR-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)c1ccc(CCC)cc1	92596322	KYBIFGUEDAKAEO-WMLDXEAASA-N	247.426	4.521	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCCC1(C)C	94277922	CMXBZYRKNIJRDM-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
C/C=C\[C@@H](C)Cc1ccc(SCC)cc1	107604555	LQIIDJMASIXKCR-TXNVCOODSA-N	220.381	4.553	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](N)c1ccccc1	109655965	BCFCQRMCLLSJEV-GDBMZVCRSA-N	233.399	4.683	0	10	BJAE	
CC(C)c1ccc([C@@](C)(O)C2CCCCC2)cc1	122064825	BAKODLRZBBWTAL-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCC[C@@H](NCC)C1CCC2(CCCC2)CC1	130442522	CRZGCVWWPYPWSZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1([C@@H](O)c2cccc3ccsc23)CCCC1	133697903	BFGHCXCZGYKFNH-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@H](C)C2CCCC2)CC1	149606043	RCUBPQOYCUYDCC-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCCCC1CCC(N)(CC(CC)CC)CC1	149817779	YVABYIMMQAOHBE-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1ccc(C(C)(C)C)cc1	167243486	HXTBEYJHZHDVRL-CZUORRHYSA-N	247.426	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CC[C@@H](C)C[C@@H]1C	222333028	WSNYFTBECHLWTD-QKPAOTATSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H]1CC[C@@H](C)C1	227503740	PQRXAXRGGRRCTM-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cccc(F)c2N)cc1	232138415	NCHLHXVJULEVEF-LLVKDONJSA-N	243.325	4.588	0	10	BJAE	
CCCCCC[C@H](C)[C@H]1CNc2ccccc21	232982552	MMVMAHYUVQKNNW-DZGCQCFKSA-N	231.383	4.802	0	10	BJAE	
CCCC[C@H](NCCC)c1c(C)cccc1C	232996759	ZVHKKMYTRRLSRS-HNNXBMFYSA-N	233.399	4.534	0	10	BJAE	
CCCNC[C@H](c1cccc(C)c1)[C@H](C)CCC	233087955	LMDGOXYOHDCEIQ-WBVHZDCISA-N	247.426	4.514	0	10	BJAE	
FC(F)c1cc(Cl)c(Cl)cc1Cl	238656469	YVWBBRCBOUVFPJ-UHFFFAOYSA-N	231.456	4.584	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC(C)C)NCCC	300965446	RDTBUGVIWQJXHO-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)c1nc2c(Cl)cccc2[nH]1	301005943	YXBAGMHZMSOJLP-SECBINFHSA-N	236.746	4.510	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@@H](C)CC(C)C)CC1	302604487	WWOKBXHRVQREBG-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C(C)C)[C@H](N)CCC1CCCCC1	305981915	AQOLAIOMLVHLNA-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CSc1ccc2sc(Cl)cc2c1S	306622656	AYUBELYSAJDJDP-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Cc1cc(Cl)c2ccsc2c1C(F)F	306937641	LSPAKZVZWZWJMZ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)C1CCCCCC1	308037936	WSONTSYINWFFHP-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
Cc1[nH]c2ccc(Cl)cc2c1C1CCCC1	309356490	TXNUMACJHOFCPG-UHFFFAOYSA-N	233.742	4.787	0	10	BJAE	
CCCC[C@H](CC)NCC1CCC(C)(C)CC1	310129947	KLLMDDFBTDYNBW-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(CN)CCCCCC2)C1	310284228	ZIEVULNAFWYKPS-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CCC[C@](O)(CC1CCCCC1)C1CCCC1	313481860	YKIZRDPYXNZSPY-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](Nc1ccc2c(c1)CCC2)C1CCC1	322864145	USSPAFJSYOCRPA-KRWDZBQOSA-N	243.394	4.556	0	10	BJAE	
CCC1CCC(N[C@H]2CCCC23CCCC3)CC1	328110259	NVFPHPWCJRLXCF-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@H](C)CNc1cc(Cl)ccc1Cl	380011220	RQSNENIPXNUGTN-SECBINFHSA-N	246.181	4.697	0	10	BJAE	
CCC1CCC([C@@H](N)CC2(CC)CCC2)CC1	380103456	XXQKCNUSBDROPK-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1ccccc1C(C)C	384056535	PCISHAPOWKMTAH-CJNGLKHVSA-N	233.399	4.636	0	10	BJAE	
Cc1c(-c2ccccc2O)ccc2ccccc12	384408595	WBRYBLHEYXYNHD-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
CCCC1(NCc2cc(C)cc(C)c2)CCCC1	394419951	NFFGWCZXIXMKDY-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@@H](C)c1ccccc1	395113987	DVIWOVMQAQSXGC-ZBFHGGJFSA-N	248.410	4.758	0	10	BJAE	
CCC(CC)(CC)CNCCCCC(C)C	395144810	KWSBKIALKLUNNN-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC2CC(C)(C)C2)CC1	395168172	FDVXLDFQOFAGLN-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCc1c(C(F)F)c(S)cc2ccsc12	396243566	NIBMCRRUYCGLLF-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CSc1csc2ccc(C)c(C(F)F)c12	396410872	SJNDIRPPXWZRCI-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC(C)CNCC1(CC2=CCCC2)CCCCC1	401058232	CHMNPMOSCUJRPZ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](C[C@@H]2CC=CCC2)C1	402259908	GIMLTIUOMFEGKW-RBSFLKMASA-N	248.410	4.764	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	403689446	RTNAXGXXYJGYBQ-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccccc1[C@@H](N)CCCC1CC1	405715539	GFOJPGDLJUHKOL-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)CC(C)(C)C1CC1	405746544	QPMAYLJWEZAGKK-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)NC/C(=C\C1(C)CCC1)C1CCCCC1	686135509	FUECZHZINLQJTJ-FOWTUZBSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(C2CCC2)cc1	690152881	KNOHBWGWICEQAR-OAHLLOKOSA-N	231.383	4.945	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1Nc1ccc(C2CC2)cc1	691091775	WSEACBQRIRBNAB-GUYCJALGSA-N	243.394	4.945	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1CCCCCC1	691181710	BEQTVDXUJSMLJB-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
C[C@H]1CC[C@](CNC(C)(C)C)(CC2CC=CC2)C1	692074000	NRKWVSPIAUEALQ-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(N[C@H]2CCC23CCCC3)c1Cl	694418345	MUVYGHWISNMUOD-ZDUSSCGKSA-N	249.785	4.783	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CCC(C)(C)C[C@H]1C	695101571	VZBNWJJWPQYBJP-RDBSUJKOSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)CC[C@H]1CC(C)(C)CC[C@@H]1CN	696805854	LGGBUXBKGBGTFS-UONOGXRCSA-N	239.447	4.604	0	10	BJAE	
CCNC[C@H](CCCC(C)C)C1CCCCC1	696853769	HUAPZDRNPMNASS-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@]1(O)CCCC[C@@H]1c1ccccc1	700899541	WHAWHOZDTIUZNV-WBVHZDCISA-N	246.394	4.512	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@]1(C)CC1(C)C	702167869	XXAXLMVANCWYKY-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(N)CCC(C)(C)C)C1	704856326	RXZDOGICGGFMEY-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)(C1CCC1)[C@@H]1CCC[C@@H](CC)C1	705365014	SIIRMXKSZXFDCI-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc([C@@](C)(O)C[C@H](C)CC(C)(C)C)c1	709070422	CHRWKZUZNQMZFS-PBHICJAKSA-N	248.410	4.665	0	10	BJAE	
CC(C)C[C@@]1(C[C@@H](C)CC(C)(C)C)CCCN1	709193554	WRGSDBAKDSIXPD-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](CN)C1CCCCC1)CC(C)(C)C	709244901	RHLWQIZTPREMIR-UKRRQHHQSA-N	239.447	4.604	0	10	BJAE	
C[C@@H](C[C@@H](O)CCCC1CCC1)CC(C)(C)C	711169036	JUSYNSBHDQIYAD-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](C[C@@H](CC)C(C)(C)C)C(C)(C)CC	711185639	SZACUGLIDNGPAP-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CC[C@@H](C)c2ccccc21	713169145	NBCVFRBTPMUTHQ-CXAGYDPISA-N	246.394	4.598	0	10	BJAE	
CC(C)CNC[C@@H](C)[C@H](C)CC(C)(C)C(C)C	713209174	HDXYDKBKRMVQFE-HUUCEWRRSA-N	241.463	4.577	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](N)CC(C)(C)C(C)C	713242501	ZZPSHZVRQOCRSM-HOTGVXAUSA-N	247.426	4.580	0	10	BJAE	
C1CCC(CCN[C@@H]2CC[C@H]3CCCC[C@H]32)CC1	714317371	XCZSLFGBGZIUMP-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1c2cc(C(C)C)ccc2[C@@H](C)[C@H]1CC	714342506	GQMMBWXZDBNQMS-QEORTHHSSA-N	245.410	4.604	0	10	BJAE	
CC/C=C/C[C@H](C)c1ccc(C)c(C)c1	714532873	WIZYGVWEJNNALI-YBJDMEARSA-N	202.341	4.763	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC2CC2)CCC=CCCC1	718995729	FATPFYGJMQEVHC-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC1(CN[C@@H](C2CCCCC2)C2CC2)CCC1	723949458	FEVWDSJTVKRBMJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](c2ccc(F)cc2)C1	725349346	CFVSLXXCUTWNQC-GFCCVEGCSA-N	206.304	4.510	0	10	BJAE	
Cc1cc(CC2CCCCC2)cc(OC(C)C)c1	725392589	MIBJIFVKGNTHNV-UHFFFAOYSA-N	246.394	4.905	0	10	BJAE	
Cc1cccc(SC[C@@H]2CCCC[C@@H]2C)c1	1165583788	DFTUCGKORDZWPM-KBPBESRZSA-N	234.408	4.913	0	10	BJAE	
C=C/C=C/CCN(c1cc(C)ccc1C)C(C)C	1616137153	SOBNYIRSZOXPHS-BQYQJAHWSA-N	243.394	4.651	0	10	BJAE	
Cc1cc(-c2ccsc2C)ccc1Cl	1889520202	YXJCSTJSUKMJER-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CC(C)CCC[C@](C)(N)C1CCCCCC1	1900592927	DXZGNNIAAIITHU-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](N)[C@@H](C)CC=C(C)CCCC(C)C	1900868091	DYMQQTIORSXQAD-LSDHHAIUSA-N	225.420	4.523	0	10	BJAE	
CCCCCN(C[C@H](CC)CCC)C(C)C	1905299926	GWDSDTCWTOAWGR-OAHLLOKOSA-N	227.436	4.713	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H](C)c1cccs1	1905304932	MPQWALRBJOAAHT-STQMWFEESA-N	239.428	4.567	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCCC[C@@H]1C	1905373529	HEXBIVBJQHWOBM-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](CCN[C@H]1CCC2(CCCCC2)C1)C1CC1	1915882016	HASXVTOJHDDVPK-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1(CN[C@@H]2CCC3(CCCC3)C2)CCCCC1	1916430618	MOYMKNWMCISARC-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCCCC[C@](C)(O)c1ccccc1CCC	1919942645	FCMAMDXCWIDDFL-KRWDZBQOSA-N	248.410	4.817	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC1(C)CCCC1	1920186442	HBMJFNXRDZJSAZ-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@](C)(N)c1csc(Cl)c1	1920187999	SGOAWWSGYDSVTH-LBPRGKRZSA-N	245.819	4.546	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H]2C=CCCCC2)C1	1925763977	UGEMICPUNUVMHW-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
Cc1sc(Cl)cc1C[C@H]1C=CCCC1	1933565147	GKTQJWBTWHXYLZ-JTQLQIEISA-N	226.772	4.609	0	10	BJAE	
CCCCCC[C@H](N)CCCCCC1CC1	1936419259	MLEMSIQVHHEHMF-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCNCC1(CC2(C)CCCCC2)CCCC1	1940407124	OMCOQPYMTUTYAS-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@H](CCC(F)(F)F)Nc1ccccc1C	1940761309	HGYNLSUOEJYMBK-LLVKDONJSA-N	245.288	4.528	0	10	BJAE	
C[C@@H](C[C@@H](O)CCC1(C)CC1)C1CCCCC1	1940792238	JKPPNEBBWCKENK-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCCC1(C)CC1)NC	1940866089	XYOUSUMBWUKSBA-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@@H]1C1CCCC1	1941428770	CYDPOIAMHXXRMV-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@@H]2CCC[C@H]21	1941707389	GRZXUNAXEPQTOF-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C[C@@H](C)CC	1941812955	FIPSIUIEFIXVAX-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](C)NC1CC[C@H]2C[C@@H]2CC1	1941875953	OEOGBGJJYGLMEK-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](CN[C@H]1CCCCCC1(C)C)C(C)C	1941929994	WEWZBKBZIZFYCE-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CNCCC1CCCCCC1)C(C)C	1941934208	IUTSHCATCOBABH-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@](C)(O)CC(C)(C)C)C1	1944197797	CQSUGMQFHNWQHB-ORIJERBGSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C[C@@H](C)C1CC1	1944518442	UWTHDVXUCDQCTC-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC1(O)C[C@H]2CCCC[C@@H]2C1	1946293840	VHSBQKSREPZFKG-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC1(O)C[C@@H]2CCCCC[C@H]2C1	1947842478	JTMITEDIWNIDJG-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC(F)(F)CCC(=O)CCC1CCCCC1	1948001270	PLPWFBYIOXKCKE-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@H](C)C1CCC1	1949040964	ZDHBHZXLBIWYRZ-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)([C@@H]2CCC(C)(C)C2)CC1	1949400351	VDLBXZMUKQYEMW-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@@H]2CCC(C)(C)[C@H](O)C2)CCCCC1	1949675813	DADUTGSZQPHVRB-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](CC1CC(C)(C)C1)NC	1949736423	PIGAKHQDUYCHRB-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
N[C@H](CCCCC1CCC1)CC1CCCCC1	1949916854	MMBXLWHUDFVBOT-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)NCc1csc(C2=CCCCC2)c1	1951233906	YZDDDTHCBLKLSR-UHFFFAOYSA-N	249.423	4.594	0	10	BJAE	
C[C@H](NCCCCCC1CC1)[C@@]12CCCC[C@H]1C2	1966499991	MQHNGAUORCSIPQ-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCCC(C)C)c(C)c1	1968254378	GEJZKRDDZPEXQT-HNNXBMFYSA-N	233.399	4.930	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC[C@@H]1CC1(C)C	1968602778	QGPMQFMNPIXNGZ-OAHLLOKOSA-N	245.410	4.967	0	10	BJAE	
CCCC1CCC([C@@H](C)NC[C@H](C)CC)CC1	1969981019	LJYDFBVMYUTCMX-WXLSXGNJSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](NCC(C)(C)CCC)[C@@H]1CC1(C)C	1973163484	FIYNDILPRNXYAL-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)NC1CC2(C1)C[C@H]1CC[C@H]2C1	1973810496	MQICSCUKCUIPCH-JCAIJIATSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C(=O)C[C@@H](C)C(C)(C)C)CCC1	1978425584	URVKKTFJHGGJNL-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)CC(=O)C1(C)CCCCCCC1	1981426988	IPPUJLBIAWDNCN-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCC(C)(C)c1nc(CC2(C)CC2)cs1	1995468971	DZIMDEHNSPVTPI-UHFFFAOYSA-N	237.412	4.563	0	10	BJAE	
CCCCC[C@H](CC[C@H](C)C(F)F)NCCC	1996090960	YAPQURAQZHRDHO-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)C1CCC(C)CC1	1996555628	SLJYPHGYRCEGKT-IOSBVQAASA-N	239.447	4.616	0	10	BJAE	
CCCSc1ccccc1N[C@@H]1CC[C@@H](C)C1	1996575642	VVHIEDPTWKEOST-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
CC1(C)CCC[C@H](N[C@]2(C)CCCC2(C)C)C1	1997342860	YBPZPVCYMFYHES-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CC1CCC(N[C@@]2(C)CCCCC2(C)C)CC1	1997428907	JYZGNSAFRSXWLF-XUJLQICISA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCNC1(C2CC2)CCCC1	1998183380	BZDSVJZBILGNDD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccccc1NC[C@H]1CCC=CCCC1	1999992390	GOXAUDWPWPMYEB-HNNXBMFYSA-N	229.367	4.543	0	10	BJAE	
Cc1cc(C)cc(O[C@@H]2CCCC(C)(C)C2)c1	2000105770	MGTPHVKKZPGKPF-CQSZACIVSA-N	232.367	4.651	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)CC2CC=CC2)s1	2000210071	HTXACQUHIBJTCK-UHFFFAOYSA-N	248.391	4.585	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CCCC1(C)CC1	2000296334	RCDLMVJMDOVAPH-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@@H]1CC=CCC1	2000500091	QOQCUEUHXXQMSE-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@H](C)C1CCC1	2000503994	CVNRKZQHXGWMLT-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@H]1CC12CCCCC2	2001211841	VDYGDAHLBSQMDX-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CN)CCC12CCC2	2001859144	IKIJYABEKZNATA-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CCCC(C)(C)CNCC1CCC(CC)CC1	2002885386	XEDIAMKFRGFGJM-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@H](C)CC(C)C)CC1	2002926179	ONEZEFWNNUEEFP-WXLSXGNJSA-N	239.447	4.616	0	10	BJAE	
CCC1CCC([C@@H](C)NCCC=C(C)C)CC1	2002926403	SEFOBTKCBNAGPD-QQFBHYJXSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@@]1(CNC(C)C)CCCC(C)(C)C1	2002980338	CFNJAFOXPALDMG-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CC2(C)CCCC2)C1	2002997854	GWEAJWNMMMQRMY-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCC[C@@H](N)c1ccc(C)cc1	2003629497	SCGXURRUJJKNEJ-MRXNPFEDSA-N	231.383	4.521	0	10	BJAE	
CCC(C)(C)CC[C@H]1CC[C@H](C(C)(C)C)NC1	2003924978	HPACYVFUDFTLKA-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@](C)(O)C1(C)CCC1)C1CCCCC1	2004839693	JZSALDOPQKHOOL-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@H](CCC2CCCCC2)C1	2006630400	WNELIZGMJVDYQN-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2CCC=CCCC2)CC1=O	2006933071	OIIPPVRHZHMMGS-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CCCCN(CC1CC(C(C)C)C1)[C@H](C)CC	2007830017	OBYAVBHLIYNARD-QQFBHYJXSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCC(C)(C)CC[C@@H]1NC	2009407011	KHFFDCCSQNTLAS-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H]1CCC(C)(C)CC[C@@H]1NC	2009410696	LDPBORNLDBCFBJ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CCC1(C)CC1)CNCC	2009544308	OMCQHQUKZCUPTP-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@H]1NCC[C@@]12CCC[C@H](CC)CC2	2009771090	LICSNTUEGAJAHD-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC)CC12CCC(CC1)CC2	2012823475	ZYANAMHKCFMWKB-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CCC(C(C)C)C(C)C)CNC(C)C	2015343131	BZIBEXPTPLRUMG-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C[C@H](C)C(C)C)C1	2015395216	WXCAMHNILILLMO-JYJNAYRXSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@H](CCCC2CC2)NC)CCC1	2015640719	VOAMAOQOJJUEEA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)C1(C[C@@H](O)CCC2CCCC2)CCC1	2017121471	PDMSUKAIXDUDIC-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@](C)(CNC(C)C)CC1(C(C)C)CCC1	2017145988	OBKVXORMRBZJQB-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)CC[C@@H]1C[C@@H]1C	2017239809	URRSFCCCKIGJAK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@](C)(O)C(C)(C)CC)CC1	2017702789	ZMUXIIDLBYFLGJ-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CCNCCC=C(C)C[C@H]1CC[C@H](CC)CC1	2017733397	JYBSCXVLXHSDIZ-WKILWMFISA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@](N)(CC)CC1CC2(CCC2)C1	2018134697	RDHRICWLDKAWSA-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@]12CCCC[C@H]1C2	2018618024	ADDVWGFAXUNPBJ-BLLLJJGKSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](O)C2CCCCCCC2)CC1	2018973149	JRMAHNLCFMYLFY-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCCCN(C)[C@H]1CCCC[C@H]1C	2019341396	ZYWGHZBHKIRLDW-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H]1CCC[C@@H](C)CC1	2020965128	BKHRGRSXLPLWSF-BMFZPTHFSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H](C)C1CCCCC1	2020966514	OPBKYDVLMDQFJQ-CZUORRHYSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)CC1=CCCCC1	2022555511	YBVNKABJCHOPQV-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
CCN[C@H]1CC(C)(C)C[C@H]1CCCC(C)(C)C	2023609212	FDXDAMAWIZZYSR-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC)CCC[C@@H]1CCCC(C)(C)C1	2024091872	MDLYHSSSLLDPEZ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NCC)C1CCCC1	2026170796	SLHJYZXYQDBTPH-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)Cc1csc([C@@H]2CCCC23CCC3)n1	2026528004	ZGONRCZPAFGOFS-ZDUSSCGKSA-N	249.423	4.779	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)c1ccccc1C(C)C	2027723567	LJRWJZYHMJPFCZ-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)c1ccc(C2CC2)cc1	2028605338	NADMZVWFVBWKNR-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC(C)CCC[C@@H](N)c1ccccc1CC(C)C	2028923771	UVHOATLTIOEPCS-QGZVFWFLSA-N	247.426	4.711	0	10	BJAE	
c1ccc2c(NC3CC4(CCC4)C3)cccc2c1	2034551119	MKINZPPFYCZDDV-UHFFFAOYSA-N	237.346	4.584	0	10	BJAE	
C1=C[C@@H](Cc2ccc(-c3ccccc3)cc2)CC1	2035554612	GZJDSOQFNYBVBT-OAHLLOKOSA-N	234.342	4.862	0	10	BJAE	
CN[C@@H]([C@H]1CCC2(CCCC2)C1)C1(C)CCCC1	2037761429	HFPSQUKGLNKQLM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C(=O)CC1CC2(CCC2)C1)C1CCCCC1	2038080517	IAYJPBCGWCHPRZ-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CC23CCCC3)c1	2039091215	HSUNRLFXENVIKO-HNNXBMFYSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2039368176	AQGWVAAVMVPMMH-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)CC12CCC(CC1)C2	2039420036	KFLHCXKLHQIALG-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@@H]1CCC[C@H](CC)C1	2042025064	RMWSYJSTHAZMQR-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@]1(CNC(C)(C)C)CC=CCC1	2042095038	WXRAOYHEQNQGPE-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC(=C[C@@H]1CCC=CCCC1)c1cccc(N)c1	2045318485	VVPWMNKBIKUPBJ-OAHLLOKOSA-N	241.378	4.809	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)C[C@H]1CC1(C)C	2045323671	ODXAMYOMWFVTER-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)[C@H]2CCCC(C)(C)C2)c1	2045506502	QNZFTHUMGPRBOR-HOCLYGCPSA-N	245.410	4.520	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@H]2CC23CCCC3)C1	2047061699	HVTYAMKSWWSBCN-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@]1(CNc2ccc(C3CC3)cc2)CC=CCC1	2047728834	KMLWSUAUXWMOMG-KRWDZBQOSA-N	241.378	4.722	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C1CC2(CCCC2)C1	2048881782	FTYZRZJLCCWUOX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@H]2CC[C@H](C)CC2)cc1	2049683250	CLTFIZSHMQZJBF-QRTARXTBSA-N	246.394	4.670	0	10	BJAE	
O=C(CCC1CCC2(CC1)CC2)c1ccccc1	2049963071	KWPQAIPLUWVVEZ-UHFFFAOYSA-N	242.362	4.620	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](NC)[C@]1(C)C=CCCC1	2049998704	XEMCVICRHJYLJO-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC1CCC1)[C@@H]1CCCCC12CCC2	2053408271	ULMBDCISWZMURY-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@H](N)C1=CCCCCCC1	2056449515	PKIMMUIAHRXSIE-GVDBMIGSSA-N	249.442	4.667	0	10	BJAE	
O=C(CCC1CC(C2CCC2)C1)CC1CCCC1	2056675245	KOATULJUUAKIFO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)CC1CC(C)C1	2056873100	KJEUNJSTIHCQOQ-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H]1C[C@@H]1CC(C)C	2056876701	SOUYJGPFYCQHLT-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NC[C@@H](F)C2CCCCC2)cc1C	2058029111	DFBRLOQYDSDFTN-MRXNPFEDSA-N	249.373	4.634	0	10	BJAE	
CC(C)[C@]12CC[C@](N)(CCCCCC3CC3)[C@@H]1C2	2058569885	NFCDOVPCQIOBMY-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(Nc2cccc(C3CCC3)c2)C1	2058834564	DHEXWPDLWOVCDH-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CCCCCC1CC(NC[C@]23CCCC[C@H]2C3)C1	2059395930	SGWRYYURQMGQON-ODZFXCKXSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC=C([C@@]2(O)CCC3(CCCCC3)C2)CC1	2060916970	AGHCDVDAKUZJKK-WMLDXEAASA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)C1CC(CC)C1	2061140485	NQMZKUCBVLWTJL-AVVWSFFYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)CC[C@]12CCC[C@@H]1C2	2061621172	DKGLPFPJWWWLOM-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
NCC1(CC[C@@]23CCC[C@@H]2C3)CCCCCCC1	2061623310	QROFFJODXVXVRR-NVXWUHKLSA-N	249.442	4.646	0	10	BJAE	
CC(C)(CN[C@@H]1CCCCCC12CC2)C1CCC1	2062021386	UXBFKKLSSZYOPK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@]1(CC2C[C@H]3CCC[C@@H]3C2)CCCCCN1	2063491758	UHICPXFSIVUMSG-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063534388	AGDDYTNSWYYMAJ-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)C23CCCC2CCC3)C1	2063812867	KIDXJYQQBPTVKG-HLUWQOEYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CN[C@@H](C)C12CCC1(CCCCCC1)CC2	2065896899	HXJRXFBBLNOTTI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CCCC2)C1)[C@@H]1CCC1(C)C	2068347523	BZXDFOXPRZQDIA-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C[C@H](NC)C2(C3CCC3)CC2)CCC1	2069338111	SOTNNKPTENBXJH-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C1(CC(C)C)CC1	2069517915	RXIKDPKFCOGHRJ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@]1(C)C[C@H]1C)c1ccccc1C(C)C	2070866801	WIUCRJYMBKMUJN-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(N)(C1CCCC1)C1CCCC1	2070964140	UBPQLIUYGUQQAP-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC(=C2CCNC3(CCCCC3)C2)C1	2074135930	WTZJGCREYMDTBT-AWEZNQCLSA-N	247.426	4.579	0	10	BJAE	
CN([C@@H]1C=CCCCC1)[C@@H]1CCCCCC12CC2	2075401156	KHTNKUXHMFRZMM-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H]2CCCC(C)(C)C2=O)CC1	2076444803	WTPVKHAVHQDHNB-ZFWWWQNUSA-N	248.410	4.764	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1ccc(CC)cc1	2077191148	ZNPLZRYHCMUICT-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1C[C@H]1C1CCC1	2079351192	XOSAGRNUOKBLSN-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2079482801	DYGLVJBLYJSCJO-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@H]1C[C@H]1C1CCCCC1)C1CCCC1	2079530182	NMYCPBDFSLKMSN-ULQDDVLXSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CC1CCC1)C[C@H]1C[C@H]1C1CCCCCC1	2079629938	UTBXJWNKOVJJEE-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(C[C@H]1C[C@@H]1C1CCCCCC1)C1CCC1	2079830421	AZBRSLBLWLFJSB-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](N)c2cccc(C(C)(C)C)c2)CC1	2083544556	CMIPDXXVVSRHPV-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CCC(C)(C)CC=C1CCCNC12CCCCC2	2083812675	RQGVFDSMLAHYNE-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1sc(C)c(C)c1C	2211702976	VJTKOKJLGRIJIN-CYBMUJFWSA-N	240.412	4.533	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1(C)CC2(CCC2)C1	2215382999	HLXVAFKFVSAHAX-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC1(C)CC2(CCC2)C1	2215393254	BJVFJJWRZJSDPJ-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
C[C@]1(CCCCCCCCC2CC2)CCCN1	2216878217	BCGBIPXBVDQKGN-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
Cc1ccn([C@@H](C)C23CC4CC(CC(C4)C2)C3)c1	2220100445	PIQQMQZRXJRKNS-SIGVMEELSA-N	243.394	4.574	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)c1ccccc1C(C)C	2220880245	RITRUWQIOYWPRH-CPUCHLNUSA-N	245.410	4.636	0	10	BJAE	
CN[C@H](CCC1(C)CC(C)(C)C1)c1ccccc1	2221027740	JMUWNIMQWPRECW-OAHLLOKOSA-N	245.410	4.554	0	10	BJAE	
CC1=CC[C@H](CNC2CC(CC(C)(C)C)C2)CC1	2221614209	USFKRLLIRUNCFH-FHERZECASA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)[C@H](NC)c1c(C)cccc1C	2221994992	OEUZYRVZDWWKDZ-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CC1(CN[C@H]2CCC[C@H](C(C)(C)C)C2)CC=CC1	2222262507	DZJPTIBNADZURG-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](N)c1ccc(C2CCC2)cc1	2223703836	SIYQEEOMHKVVSG-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CCCC(C)(C)C)N2	2224128198	RJEJDCNMUGPPCU-OAHLLOKOSA-N	245.410	4.938	0	10	BJAE	
CCCCC[C@H](O)c1ccc(Cl)cc1CC	2243673075	UCDLUHLIIUDWLU-AWEZNQCLSA-N	240.774	4.516	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCCCCC1CC1	2244780238	GEKQIKWPVLCVHB-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CC(=O)C[C@@H](C)CC[C@@H](C)CCCC(C)C	2244845433	PEOLRHJOEXLHLL-KBPBESRZSA-N	226.404	4.844	0	10	BJAE	
CC1CC(C)(CC[C@H](O)CC2CCCCC2)C1	2246517991	GYKHBXPANTXHRG-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@@H]1CCc2cccc(C)c2N1	2246643941	ARGKWJIKRNYLBJ-AWEZNQCLSA-N	231.383	4.548	0	10	BJAE	
CC(C)CC[C@@](C)(N)CC1CC2(CCCC2)C1	2246820358	ONPXHCVCEIUOTO-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)NCCCC[C@H]1C[C@H]1C	2247129225	NDVGPIWXWWCZHB-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CCCCC1(C)C	2247163929	HYCWOXBGPOVTOA-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)[C@@H]1CC12CCC2	2248308893	PIIFAJYCHQMOHO-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](O)CCCCC[C@H]1C[C@H]1C	2248881348	YCWKAPLFKZXQCO-OWCLPIDISA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@H]1CC12CCCCC2	2250353677	XAPBOLQZEWGFDC-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC1CC(C)C1)CCC(C)(C)C	2251755816	UVQJUOFLWDWKGT-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCCC23CCC3)C1	2253933699	ZBFVOPWJTPAZTP-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1	2253934112	GAJYYFDQYYKBEE-NPCUJANDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2C[C@@H]3CCC[C@@H]32)C1	2253936747	FTUZAGSQJJSKLJ-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC[C@@H](O)c2ccccc2)C1	2254019262	HOXKAWCTHIHMBG-YQQAZPJKSA-N	246.394	4.717	0	10	BJAE	
CCC1([C@@H](CC2CC3(CCCC3)C2)NC)CCC1	2254057970	IJECLXRKQLLYOQ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)CCCC[C@@H]2C[C@@H]2C)c1F	2254594315	RLPCTKNJWBVZEN-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H]1CCNc2ccccc21	2254606968	RNXVGQHYNCIRGE-ILXRZTDVSA-N	243.394	4.802	0	10	BJAE	
CN[C@H](C[C@@H]1CCC1(C)C)[C@]1(C)CC=C(C)CC1	2255010598	DETPUOOCRYFQOX-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCC12CCC2)CC1CCCC1	2255030412	ZDRDJIPGPTWTPL-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CCC[C@@H]1CC1=CCCCC1	2255090555	AUEGMYHJISJADM-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@@H](CNC)[C@@H](CC2=CCCCC2)C1	2255094560	AYXKHWPCHUBMPX-HYVNUMGLSA-N	249.442	4.539	0	10	BJAE	
N[C@@H](CCC[C@@H]1CCCC12CC2)C1CCCCC1	2255313898	VSRJJALCRBCTLI-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Oc1cccc2c1CCCC2	2257474045	AHSJVCBWTPVYFD-CJNGLKHVSA-N	244.378	4.523	0	10	BJAE	
CC(C)c1ccc(NC[C@]23CCC[C@@H]2CC3)cc1	2260593790	YYOQXFDDRRJDTH-NVXWUHKLSA-N	243.394	4.802	0	10	BJAE	
C[C@H](C[C@]12CCCC[C@@H]1CC2)[C@H]1CC[C@H](N)CC1	2260653176	XGPSMYBQAUQOOK-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CCCNCC1(C[C@]23CCCC[C@H]2CC3)CCC1	2260659601	XMTQHIMTIKNWGP-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)C[C@@]23CCC[C@H]2C3)C1	2261197437	ZANLYYVREBFLTP-QKRUXVEJSA-N	248.410	4.598	0	10	BJAE	
CCCN(C1CCCCCC1)[C@H](C)CC1CC1	2298897507	ZPXAUKUZCHHXFO-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc(C)c(CC)c1	2299670382	WELPYEODMGQOMH-ZDUSSCGKSA-N	232.367	4.566	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@]12CCC[C@@H]1CC2	2300495937	DJLGVOXOTWDATH-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](NC)CC(C)(C)C1	2300688228	LHZRCZXHLOCPIU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CNc1cc(F)ccc1C(F)F	2300826260	KWBWROIVLIXPPE-UHFFFAOYSA-N	245.288	4.611	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@H](C)[C@@H](C)C(C)C	2301973063	XXMNHFLDJBLHEK-JKSUJKDBSA-N	241.463	4.671	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(O)CCCC1=CCCCC1	2302325845	KUMRGTSNJPSTJS-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CCCCC(C)(F)F	2302619758	JCPSRADCUBHLMG-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@](C)(CNCC)C[C@@H]1CCC(C)(C)C1	2302871149	HJGPMXGTSQRXKP-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CCC(C)=C(C)C1	2303593947	AZKXAGFNDJQKJL-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC[C@@H]1C[C@H]1CC	2303610577	ICKFEQWPIAKLAM-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(O)(CC[C@@H]1CCC(C)(C)C1)C(C)C	2304352362	QXIVJQDMVHTZFO-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1CC[C@H]1CCC(C)(C)C1	2304422334	HIRJYTFLNMBXDQ-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
Clc1c(OCCC2CC2)ccc2ccccc12	2307638988	RPUJZRXNISIYMI-UHFFFAOYSA-N	246.737	4.672	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCC1	2311609295	UAKFQYQOMOFREV-FXUDXRNXSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](NC)[C@]1(C)CC=C(C)CC1	2312521267	QMFZHJFYUNLPFT-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C[C@@]23CCC[C@@H]2CC3)C1	2313335049	QTFXTYPEOIUNPU-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2313343467	DVOQNWKDTJOYKS-IVSAIRAKSA-N	248.410	4.742	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1ccc(C)c(CC)c1	2314641560	AFQFNRSTBGOKJG-QGZVFWFLSA-N	247.426	4.774	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)c1ccc(C)c(CC)c1	2314714379	YOBLTDIRQAGFDT-WMLDXEAASA-N	247.426	4.644	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CCC2(CC2)C1	2315886044	GQPLMCUWQDDCKQ-OAHLLOKOSA-N	243.394	4.863	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1(CC2CC2)CCC1	2316502340	KTCYPYDOCKDFLS-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@@H](N)[C@@H]1C[C@@H]1C1CCCCCC1	2316508583	KWJHHAYUDWVBQB-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@@H]1CCC12CCC2	2316538294	VUFIBRWDBTWXFM-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1=O	2317007224	LSYSOASEUKVSDJ-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@@]12CCC[C@@H]1CC2	2318586429	JRLIHAJZSUTYSI-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)C[C@H]2CCC(C)(C)C2)CC1	2319120813	HRWMXEVLRXYDGQ-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(N)CCCC(C)(C)C2)CC1	2320339382	DGHDNFLYBBBRLS-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](CCC2(N)[C@H]3CCC[C@H]2CC3)C1	2321649687	PVXAWYCIPURSAY-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc(-c2ccccc2C=O)cc1	2136809	VNSPMDHOKSUDML-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
CCCCC[C@](C)(O)c1cccc2ccccc12	4071976	YVKKGOOIWKCXON-KRWDZBQOSA-N	242.362	4.628	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)CCC(C)C)cc1	21797432	WERFHFVYWVARPU-CJNGLKHVSA-N	233.399	4.636	0	10	BJAE	
CCc1ccccc1NC1CCC(CC)CC1	21798037	VMMNHNUFAJAQAH-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CCCN[C@H](c1ccc(C(C)C)cc1)[C@@H](C)CC	36820168	ZSGSJRIOGILICX-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@H](C)N[C@H](CCC)c1ccccc1	37300065	LBACNHKZRMDSSE-GOEBONIOSA-N	233.399	4.696	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)c1ccc(C)cc1	69377078	YTTVPFQELBPPQG-GDBMZVCRSA-N	233.399	4.614	0	10	BJAE	
CCCC[C@H](CC)CNc1cccc(Cl)c1	71125998	KJNIJVAVUJRZAT-LBPRGKRZSA-N	239.790	4.968	0	10	BJAE	
CC[C@H]1CCC[C@@H](Sc2ccc(N)cc2C)C1	71150156	FMEBPXHLQDDLDK-GXTWGEPZSA-N	249.423	4.638	0	10	BJAE	
Cc1cc(C)c(C2CCCCC2)c(C)c1	75841166	CFNYHCFRIHOKHX-UHFFFAOYSA-N	202.341	4.660	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCCC(C)(C)C2)c1	79971121	LMRQWDPCYDHVLK-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
Cc1cc(Cl)cc(C)c1NCCC(C)(C)C	83367711	WCVJXAFCGHXGKF-UHFFFAOYSA-N	239.790	4.805	0	10	BJAE	
CCCCC[C@@H](CC)NCc1cccc(C)c1C	83377776	VWVNUHKDOOKLII-QGZVFWFLSA-N	247.426	4.752	0	10	BJAE	
CCCN[C@@H](CCC)CCC1CCC(C)CC1	85082879	NIOATUAJZZKPEF-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCCC2CCCCC2)CC1	86887779	RDGXBJGVONPRMS-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](CNC(C)(C)C)c1ccc(C)cc1	93190208	VKJHXFHKCOALLP-ZBFHGGJFSA-N	247.426	4.513	0	10	BJAE	
CCCCc1ccc([C@H](C)C[C@@H]2O[C@H]2CC)cc1	107479137	KUPALZNTRSXNFL-COXVUDFISA-N	246.394	4.700	0	10	BJAE	
CCCN[C@@H](CC)C(CC)(CC)c1ccccc1	109748202	ZALMFKYSTPBNHD-INIZCTEOSA-N	247.426	4.523	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)c1sccc1C	126741927	OLJJJPPFRBPTOL-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CC(C)(C)C1CCC(CN[C@H]2CC=CCC2)CC1	129923900	FSQFCIGGUNSFSQ-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(F)(F)F)cc1CC(C)(C)C	168430908	CLQSBQFTMRWBRJ-UHFFFAOYSA-N	230.273	4.602	0	10	BJAE	
CC(C)[C@@H](Sc1ccccc1)[Si](C)(C)C	196129425	CYSNPUBHXAOAJL-ZDUSSCGKSA-N	238.472	4.681	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1ccc(C)cc1C	211738506	CERCXPSTQRZXDB-MRXNPFEDSA-N	233.399	4.520	0	10	BJAE	
CC(C)NC/C(=C/C1CCCCCC1)C(C)C	212174239	WPVUKLXATXHRIV-WJDWOHSUSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@@H]1CCCC1(C)C	226879366	LQGCJPWFNHEPCF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(O)CCCC(C)(C)C2)C1	226908597	SOHPHGPUYZBSFX-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H]1CCC[C@@H](C)C1	227504552	BGCKFVRLYKTMRL-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CCC2CCCC2)C1	228769978	SJNXBIKPRZZYFC-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCC1(CC)CCCC1	234055100	XFXZKZZRVMHDLY-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)[C@@H](C)c1ccccc1	234069757	IWFRUKHYJPDESP-OFQRWUPVSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H]1CNc2c(F)cccc21	300262400	QGBOFSIREPXIGZ-QWHCGFSZSA-N	247.357	4.551	0	10	BJAE	
CC(C)C[C@H](C)CNc1cc(F)ccc1Cl	300953460	QBDWKXVDNPMFIX-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CC[C@@H](C)c1csc([C@@H]2CCC(F)(F)C2)n1	304152447	HWPRANWUBXZJNQ-RKDXNWHRSA-N	245.338	4.559	0	10	BJAE	
CC(=O)c1ccc(C2=CC[C@H](C)CC2)cc1Cl	304565093	OGQIYKAQVVNPGH-JTQLQIEISA-N	248.753	4.746	0	10	BJAE	
CC[C@H](C)c1csc(C(C2CC2)C2CC2)n1	304635358	ZWDFCFMLKPQWAH-VIFPVBQESA-N	235.396	4.560	0	10	BJAE	
Cc1ccc2ccn([C@H]3CCC[C@H](C)C3)c2c1	305668866	RIRXOPMFQSPLLE-WFASDCNBSA-N	227.351	4.701	0	10	BJAE	
Cc1cc(SCCC2CCCCC2)ccc1N	305894744	BNHALXAFTQJEON-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCc1csc2cc(SC)c(Cl)cc12	306611096	LNGQWOAGUFMZJG-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1sccc1Cl	308011920	KTAUOHCVDHFNDW-GXSJLCMTSA-N	246.803	4.507	0	10	BJAE	
CCCCC[C@H](CC1(CC)CCC1)NCC	309372671	QKPJWNKORASWMI-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CC2(CC)CCC2)C1	310111205	FPGMVQUWYIHRPK-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC1(C)CCCC1)C(C)(C)C	310548924	TYRGNGZCFTXXBW-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)C1(CCC)CC1	310726452	AWNNPMUNUUJIBM-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
Cc1ccc(C)c([C@H](O)C[C@H]2CCC[C@@H](C)C2)c1	311163194	ZDOVEBPXVJMNBS-ISTRZQFTSA-N	246.394	4.553	0	10	BJAE	
C[C@H]1CCC[C@@](CNC2CC2)(C2CCCCC2)C1	317609395	OWXJQIRGRSHOBA-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@](CNC(C)(C)C)(CC(C)C)C1	318057114	YXTGDYGHIBYAEM-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@]1(CNC2CC2)CC[C@@H](CC)C1	318241758	ZSQAXAOQHCCAQU-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1ccccc1C(C)(C)C	320159729	KQWAKAYQZAUIBV-QWHCGFSZSA-N	246.394	4.849	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H]1C[C@H](C)Nc2ccccc21	320255380	WWYVWYGEDRIVHO-ABHRYQDASA-N	231.383	4.657	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](CC)C1CCC1	322563067	RKZAYQGHUMLNKK-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C(C)(C)C2CCC2)C1	322901285	CSQVAZCNHLFQMS-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@H]1CC[C@H](CC)CC1	328491766	XUTJPFXPSYPULT-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H]1CCCC[C@@H]1C	384533814	MTAADPKEIMJEFD-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@H](C)c1ccccc1)CC(C)(C)C	384884672	KMPPXMIAWGQKIS-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2CC[C@H]3C[C@@H]32)cc1	385396055	JOKZHXHGICRTPO-BHYGNILZSA-N	243.394	4.630	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)c1coc(C)c1	385944356	WRVVPHFKLNINES-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
CC(C)C(C)(C)CN[C@@H]1C[C@@H](C)c2ccccc21	386396151	WBZWAOYXUBUIPE-CZUORRHYSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@@H](/C=C(/CN)C2CCCCC2)C1	394503028	CRPVFNYFIMXBLO-AZYZYFAASA-N	249.442	4.668	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)[C@@H](C)C1CC1	394865219	OSKRWRDSHAJDGD-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCC(CC)(CC)CC	395144881	KXNFGBGGPUIFNE-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](c1ccc2sccc2c1)[C@@H](C)CC	395330820	RDBWDQJRCBTVQE-XHDPSFHLSA-N	247.407	4.598	0	10	BJAE	
CCOc1csc2c(C)ccc(C(F)F)c12	396255798	XBOHGGXAURSAAL-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1cc2c(C(F)F)ccc(C)c2s1	396405417	LDIBYCCULYOMNQ-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)cc1C)[C@@H]1CC1(C)C	397581516	FXSKZLBCLIGTDL-GOEBONIOSA-N	245.410	4.930	0	10	BJAE	
CC[C@H](Nc1ccccc1Cl)[C@@H]1CC1(C)C	397864102	YTQZCCMEEUQZRZ-JQWIXIFHSA-N	237.774	4.577	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNC1(C)CCCCC1	401385164	IMAYMSJHHIUPKK-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](O)c1ccccc1-c1ccccc1	575448324	URLOVWUPORZFNQ-KRWDZBQOSA-N	240.346	4.577	0	10	BJAE	
Clc1cccc(-c2ccc3c(c2)C=CC3)c1	675052809	AAUDRJSFZBPARD-UHFFFAOYSA-N	226.706	4.576	0	10	BJAE	
C[C@@H]1C[C@@H](CCCC2CCC2)Nc2ccccc21	688373952	JONHOEDJUVYTES-UKRRQHHQSA-N	243.394	4.945	0	10	BJAE	
O[C@@H](CCCC1CCC1)CCC1CCCCC1	688413979	FAPZIDKLDQBVIM-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC1CCC([C@H](O)c2cccc(C(C)C)c2)CC1	688939671	PDVGSFOLLBSFKV-KVULBXGLSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H](NCCCC1CCC1)C1CCCC1	689065863	GGDPAWIGBIQYLM-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)CC1CCCC1	689866070	CJWHKLWCWBINNH-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
C1CCC(CCCNC[C@]23CCCC[C@@H]2C3)CC1	693560209	WFJSWYCVELHQKY-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CCCCC[C@H](C)[C@@H](CC(C)C)NCCC	695053335	MQYCUNJASSRXBP-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1C[C@H](C)c2ccccc21	695101723	WOEKJMZUSKQMPF-HEHGZKQESA-N	245.410	4.649	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)CCCC[C@H]1C1CC1	696094757	QLRYYLDEHMXPOH-IRXDYDNUSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@@H](O)CCC(C)(C)CC	696549830	JRFONRFRHXSBSQ-CYBMUJFWSA-N	214.393	4.534	0	10	BJAE	
CCCC[C@H](CC)CC1(N)C[C@H]2CC[C@@H](C2)C1	697695333	NKDKOCVDPBNMIL-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCCc1ccccc1C(F)(F)F	697990037	BWDBIATWBDQHNU-UHFFFAOYSA-N	228.257	4.604	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@H]2CCC[C@@H](C)C2)c1	701578421	QDHHDDGZGZRLLD-UKPHBRMFSA-N	245.410	4.636	0	10	BJAE	
CC[C@H](Nc1ccccc1C(C)C)C(F)(F)F	702895981	AZXOILVMFYBYAF-LBPRGKRZSA-N	245.288	4.563	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)c1coc2ccccc12	704567221	IBPGXCNGIXRXOI-XHDPSFHLSA-N	246.350	4.539	0	10	BJAE	
CC(C)c1cccc([C@]2(N)CCCCC[C@@H]2C)c1	704938667	GNUWOYMXLZKQQA-YOEHRIQHSA-N	245.410	4.564	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCCCC[C@H]1C	704941958	OAKDGFOUNOFUAA-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@H]1C[C@H]2CC[C@H]1C2	704970659	FYEIATGONDVVPG-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C(C1CCC1)C1CCC1	704991098	UEATYRSWQPAQLP-DOMZBBRYSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@@H]1CCCC12CC2	706283582	ITRXURIUIQUTHM-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@@H](C)CC(C)(C)C	708297159	PFGFACZCVJYLRQ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCNCCC(C)(C)C[C@@H](C)CC(C)(C)C	709078762	LFSVQWZCSXNLOF-AWEZNQCLSA-N	241.463	4.865	0	10	BJAE	
Cc1ccc([C@H](C)NC[C@H](C)CC(C)(C)C)cc1	709188578	NYLPVCUOLBFHQL-CABCVRRESA-N	247.426	4.718	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1csc(C)c1	710757520	GNNLLRYATQGBBL-TZMCWYRMSA-N	237.412	4.827	0	10	BJAE	
CC[C@H](C[C@@H](O)C[C@H]1CC=CCC1)C(C)(C)C	711208975	AKSFHQZJMMPPNG-ZNMIVQPWSA-N	238.415	4.556	0	10	BJAE	
CCCc1ccc(N[C@@H]2C[C@@H]3CCCC[C@H]32)cc1	712454037	OMBCOAIQWRNCDJ-USXIJHARSA-N	243.394	4.630	0	10	BJAE	
CCCC1CCC(N[C@H]2C[C@@H]3CCCC[C@@H]32)CC1	712458008	QUACPSYATKLGAG-LZYVMWMOSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)c1ccc(C2CC2)cc1	713168787	AYRYZAILYYPXIV-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
CC(C)C(C)(C)Cn1ccc2c(Cl)cccc21	713240653	PNTJINIHBIRIPV-UHFFFAOYSA-N	249.785	4.977	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]21)C1CCC1	714260538	WMUBWBAQTCOJQW-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1cccc(OC)c1	714523306	YVQCDJXNVRERTM-KTRBRXNASA-N	218.340	4.545	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CCCC(C)(F)F	718613648	VCFZNPXLEOTLGG-QWHCGFSZSA-N	249.389	4.602	0	10	BJAE	
CC(C)=C(C)CCC(O)(CC(C)C)CC(C)C	718688463	DWZFUSBRNGWQTR-UHFFFAOYSA-N	240.431	4.946	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CNC2CC2)CCC=CCCC1	718995564	CYPUXCMJJRIYRQ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(SC[C@H]2CCCC[C@H]2C)c1	1165583791	DFTUCGKORDZWPM-ZIAGYGMSSA-N	234.408	4.913	0	10	BJAE	
CCC[C@H](CC)S[C@H]1CCC[C@H](C)C1	1459058226	BSFMQLBPQYCXJR-AVGNSLFASA-N	214.418	4.877	0	10	BJAE	
C=C/C=C\CCSCC(C)(C)C(C)C	1614966419	MGUBSMCJQOYZKI-FPLPWBNLSA-N	212.402	4.534	0	10	BJAE	
CC[C@@H](CSc1cccc(F)c1)CC(F)F	1652694049	ACVGEVIRJAWQDY-SECBINFHSA-N	248.313	4.599	0	10	BJAE	
FC1(F)CCC(CSCC2CCCC2)CC1	1653128686	HLFXHZMFYMRKSM-UHFFFAOYSA-N	248.382	4.735	0	10	BJAE	
Cc1ccc(O[C@@H](C)CC2CCC2)c(Cl)c1	1899409174	KIEHXPJIJZURRC-NSHDSACASA-N	238.758	4.606	0	10	BJAE	
CCC(CC)CC[C@](C)(O)CC1CCCC1	1900695725	HVKZYMLESRPSGH-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)[C@@H](C)CC(C)C	1900697039	NHMWOLIBGBMTOP-DZGCQCFKSA-N	228.420	4.636	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@H](C)CCC(C)C	1905307474	FLCGFQDZALEYKX-HUUCEWRRSA-N	227.436	4.569	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)C1CCCCC1	1905363078	SRRCTICNOWVKTM-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCCCCC1=O	1905443594	ILAPDQJFFLTMJS-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCn1ccc2cccc(Cl)c21	1908538668	YELVWOMETHJEHW-DGCLKSJQSA-N	247.769	4.731	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@H](C)C1CCCCC1	1909579423	DDWZKHBWAVQHGX-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](O)C[C@@H]1C[C@H]1C1CCCCCC1	1910695310	CVNHRTGRIVAVFL-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@H](NCC)C1CCC(C)(C)CC1	1911820621	NRDQTHZYWBZMBU-INIZCTEOSA-N	249.442	4.703	0	10	BJAE	
CC[C@@](N)(CC1(C)CCCC1)c1ccc(C)cc1	1919459028	QIYFIPSSWLBCLH-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CCC[C@@H](C)C[C@](N)(CC)c1ccc(CC)cc1	1920449004	LQDSLMZPMHQOIE-RHSMWYFYSA-N	247.426	4.639	0	10	BJAE	
CCCNC[C@@]1(C[C@@H]2C=CCCCC2)CC1(C)C	1925757048	KNVZENHRTWBWKW-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1C=CCCCC1	1925892069	QTHLEUMZEZYCMB-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@@H]1C=CCCCC1	1925915481	PSYDRELJBHOOPE-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@@H]1C=CCCCC1)C(C)(C)C	1925926572	SGHQFKQCAQRSML-RBSFLKMASA-N	238.415	4.556	0	10	BJAE	
CCCC[C@](CC)(CO)C[C@@H]1C=CCCCC1	1925947209	ZAMZSAJWBVBPAU-CVEARBPZSA-N	238.415	4.702	0	10	BJAE	
CCC(CC)CCN[C@H](CC)c1cccs1	1926146829	YLMCZEKZPDCBEZ-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCC(C)(C)CC	1936212400	LTKFALQXBALTCB-ZIAGYGMSSA-N	227.436	4.602	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](C)(N)CCC(C)(C)C	1937166134	CKIMXUCWFWKARV-UKRRQHHQSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CCC[C@H]1CC1(C)C	1940884727	ZMEGGBUDABBAGV-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCCC[C@@H]1CC1(C)C	1940885486	ZIQQZEMHONAYQP-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CCCC12CCCC2	1942664669	UGPFEMJDTASEMM-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)[C@H](C)C1CCCCC1	1942665089	VQWZWIIWFPYFPJ-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](N[C@@H](C)[C@@H](C)CC(C)C)C1CCC1	1948326229	IGMRKFBFEIOBRQ-DZKIICNBSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C[C@H](C)CC(C)C	1948984184	TZYNPBUEQLFUMR-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)[C@H]1CCC2(CCCC2)C1	1949495384	HCQHDKGHMFTSJT-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CC(C)(C)C)[C@H]1CCCC(C)(C)CC1	1950919047	MTJMUZGYDLITPQ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2C=CCC2)CC1	1950924257	XZJSPKKGWWQHBO-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@@H]1CCC[C@H](C)CC1	1950930157	MYJUZQNRUQNEKY-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(CC2CCCCC2)CC1	1950930160	MYPOJYLGBSOTKI-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cc(Cl)sc1C	1959934501	NXDKUISZZIQGEZ-MRVPVSSYSA-N	244.787	4.719	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@@H]2CCC3(CC3)C2)c1	1968528067	LSOQXXYKIMVQDF-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
C[C@H]1CCC[C@H](CCNC2(C3CCCC3)CC2)C1	1970499295	HJYJVXAOZGVWGX-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)CN1CCCC[C@H]1CCC	1970607219	TZFUAQBPSMOYLL-HZPDHXFCSA-N	239.447	4.857	0	10	BJAE	
CCCCCC[C@]1(CN)CCCCC1(C)C	1981854096	SJTVETKRSQUTOP-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@@H](C)C(C)C)C(C)C	1988303302	SOCCUWNKAKKEHB-KGLIPLIRSA-N	226.404	4.556	0	10	BJAE	
CCC(CC)C(=O)CCC(C(C)C)C(C)C	1988304073	AVFPTGRGFZKBFZ-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](CC)CCCC	1990045926	VOCLGNYMELUEDG-GJZGRUSLSA-N	227.436	4.904	0	10	BJAE	
CCCSc1ccccc1N[C@H](C)C1CCC1	1996563533	GMRGUUJTOHAEOZ-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CCCC=CCNC[C@@H]1CCC[C@@H](CC)CC1	1997215830	RBWIVUCAIGUEKE-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@@]1(C)CC=CCC1	1997588300	NJDBTFFWBVLKEI-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](O)C(C)(C)C(C)(C)C)C1	2000025513	VTTCFXUMABIUKF-STQMWFEESA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C(=O)[C@H]1CCCC(C)(C)C1)C(C)C	2000100056	SMZOYQYDFVJZOV-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
CCNCC(CC)(CC)CCC[C@@H]1CC1(C)C	2000499937	PBGCLKHBJUDWIL-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](C)N(C)[C@@H]1CCC2(CCCC2)C1	2000894081	BZPBQLXHXMHERW-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)[C@H]1CC[C@H](C)CC1	2003104402	UURQNMSPBWPPBI-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H]1CCCCCCC[C@H]1O)C(C)(C)C	2003111387	LDOJCVIBIMZDGL-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@@]1(C)C=CCCC1	2003333854	HGNUHPKIIJHCTC-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CCC1(C)CCC(N)([C@H]2CCC[C@H](C)C2)CC1	2004342128	PSDXDMLJCROLJW-FXQLRMTLSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CNC1CCC(CC)CC1	2004711136	GULYRSDZSXDIKA-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CNC[C@]1(CCCC(C)C)CCCCC1(C)C	2005583676	PWWFNKDIACHNNL-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCCC[C@@]1(CO)CCC1CCCC1	2005587155	UIIJMPTYWXPVMI-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CC[C@@H]1C[C@@H](CCCC(C)(C)C)C[C@H](NC)C1	2006630389	WJJIEILEHDYROO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CC1CC(CC)C1	2007763677	NEVJULIJVHPADH-CKUJCDMFSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)(C)C)C[C@H](C)F	2007841741	AANSXUQSASTATP-DZGCQCFKSA-N	245.426	4.709	0	10	BJAE	
CC=CCCCC(=O)[C@]1(C)CC[C@H](C)C1(C)C	2009568332	BTUDWPVCVMOPAT-BBRMVZONSA-N	236.399	4.764	0	10	BJAE	
C/C=C/CCC[C@](C)(N)C1CCC(C)(C)CC1	2009568968	JLYUOJYNIYZARF-JFDDCEBESA-N	237.431	4.667	0	10	BJAE	
CC=CCCCN[C@H]1CCC[C@H](C(C)C)CC1	2009591309	HXYKRULSRROUFX-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H](CCC)C(C)C	2009615767	BSVIJRXWJRYXDS-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC=CCCC[C@@H](CC(CC)CC)NCCC	2009617407	SBGYFBYQGAUWQI-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CC[C@H](C)CC1	2009620398	VGRFOUBZYBXQKY-QPSJONLNSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H]1CCCCC1(C)C	2009636662	YRBWZJIKRLXGNG-WHJWBVKISA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(O)CCCCCC12CC2	2011283644	AHJJKUBFTHJVIP-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](O)C(F)(F)C1CCCCC1	2012973201	RFFSWGMQLBRGHD-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCCCC(C)(C)NCC1C[C@H](C)C[C@@H](C)C1	2013534433	AZCNZTKFUVFZDN-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](N)(CC)CCC(C(C)C)C(C)C	2015348827	YTWYTBOTPWEJAR-MRXNPFEDSA-N	241.463	4.993	0	10	BJAE	
CCC1CC(C(=O)CCC(C(C)C)C(C)C)C1	2015386492	DBJPKYHNNCODJB-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(C[C@@H]1CCCCCC[C@H]1N)C(C)C	2015411936	JOFFJTTWNVOVAY-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@H]2C[C@@H](CC)CCC2=O)CCC1	2015596006	PCZRIXGIVNJJTM-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC1([C@@H](O)C[C@@H](C)CC(C)(C)C)CC1	2015759948	DKIQGZQVMBMIEK-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@H](N)C1(C(C)(C)C)CCC1)C(C)(C)C	2017131761	UUIZULNWEWTVAA-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](CN)CCC1(C(C)(C)C)CCC1	2017140055	CMKNRXBINWZXJU-CQSZACIVSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@@H]1CC12CCCCC2	2017705417	IIFOISBQCCPNKF-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@H](CC(C)(C)C)NC)CC1	2017730179	FBJGASVGKZWOCY-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC1(c2csc([C@@H]3CCCCC3(C)C)n2)CC1	2018310132	NTKHMWNZQOUFOR-NSHDSACASA-N	249.423	4.878	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H](C)C2CCCCC2)CC1	2018919548	ZUVVRTKEELSJMD-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)N(C)[C@H]1CCC12CCCCC2	2019256541	NHBPXOLIZKPLIK-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CCCC1CCC(CC[C@]2(C)CCCN2)CC1	2020816511	KAVJUTOIBTUAMR-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1ccccc1C1CCC1	2021027047	NRQBBAYNJDIYND-IUODEOHRSA-N	229.367	4.555	0	10	BJAE	
CCN(C[C@@H](C)C(C)(C)C)[C@H]1CCCC1(C)C	2022054140	MHQPTABDINGJCE-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1NC1CCCCCCCC1	2022437794	WWHVLARYPWTSNE-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H]1C[C@@H]1C(C)(C)C	2022477496	LJAXXARSORYQJZ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@H]1CCCC(C)(C)C1	2024090931	CXTREXYUTKTSED-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1CCCC(C)(C)C1	2024102465	SSYXXDHDDMAFNX-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CCN[C@H]2CCCC[C@@H]21	2028634888	VQVSJYBNOGBSPG-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@H]1CC12CCCC2	2036093418	IKIPIJCNSYXYBL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC/C=C/CN[C@@H]1CC[C@H](C)c2ccccc21	2036763239	NAPLUTWKMGMISS-YUSJOORSSA-N	243.394	4.571	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@@H]2CCC[C@@H](C)C2)c(C)c1	2037047314	BSROVSVLLAFMGG-VMGRFDJRSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@H]2CCC3(CCCC3)C2)C1	2037673688	YOIFIYMTMYQKBI-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
N[C@]1([C@@H]2CCC3(CCCC3)C2)CCC=CCCC1	2037688010	WDVFNXVDPNUJGU-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H](CCC1CC2(CCC2)C1)CC1CCCC1	2038111549	CCUDOIREUFYLPW-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)[C@@H]2CC23CCCCC3)C1	2039079055	NQBSGJWVCWWZGQ-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@]1(C[C@@H]2CC23CCCCC3)CCCN1	2039089457	SVNCKFHGHKEWET-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCC1(C(=O)CCC=Cc2ccccc2)CCC1	2039723322	ZHFXWZWADBGNKN-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
CCC1(C(=O)c2cccc(C3CCC3)c2)CCC1	2039729394	RNRFZHFGSVAAEJ-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC1([C@H]2CC(=O)C23CCCCCC3)CCCCC1	2039849445	LLLOAMPBAMXIQH-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](Nc2cc(C)ccn2)CC1	2041499867	QURFRMVJNFXTRK-HUUCEWRRSA-N	246.398	4.551	0	10	BJAE	
CC[C@H](NC[C@]1(C)CC=CCC1)C1CCCCC1	2042068498	YECDJKXSTDUNOL-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)CCC1CCC1	2042743032	QHIICNYMLKLQBB-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC[C@H](NC2(C3CC3)CCCCC2)C1	2042949101	QPNJGTUAUVDKEO-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)C23CCC(CC2)C3)C1	2043000448	MMKPVHXFGSAJDC-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1CC[C@H]2C[C@H]2C1	2045315593	VVLILDUSMFGZCK-QXSJWSMHSA-N	246.394	4.518	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2045606917	YYWREMIIPOLAEP-KKUMJFAQSA-N	248.410	4.764	0	10	BJAE	
CCN[C@@H](C=Cc1ccccc1)CCCC(C)C	2045705149	RPOOABQQIKFSJK-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CCCC2)C1(CC)CC1	2047024258	SPTXOXVAHJZHRL-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047405370	BIPJFFBATNSBFH-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(N[C@@H]2C[C@@H]3CCCCCC[C@H]32)CC1	2047437968	PQACRHMNHFNHEQ-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
O=C(CCC1CCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048467787	WJSVDGLXBSXQCA-FVQHAEBGSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)NC2CCC3(CC2)CC3)C1	2049541739	YFZDQYKURXDXTC-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC1CCC(CN)(C[C@H]2CCCC3(CC3)C2)CC1	2049845221	IDICBIXIMYNEDP-CKDBGZEDSA-N	249.442	4.502	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2C=CCCCC2)CC1	2051616275	JTDQTWBEQPSNKP-KLAILNCOSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H](C)C2CCC(C)CC2)CCC1	2055546407	OPBXAEZIFLUJKL-LCDBUSSMSA-N	249.442	4.680	0	10	BJAE	
CC=CCCCC(=O)c1ccc2ccccc2c1	2059203733	MYKGOPMFLDGZIS-UHFFFAOYSA-N	238.330	4.769	0	10	BJAE	
CCCCC1CC(O)(c2ccccc2C(C)C)C1	2059394410	VIGXOFPEFYEQJK-UHFFFAOYSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(O)CCCC3(CCC3)C2)CC1	2061085628	SGKGGDSYYAZGEX-PBHICJAKSA-N	248.410	4.598	0	10	BJAE	
CCC[C@]1(C2=CC[C@H](CC)CC2)CCCCCN1	2061097579	CSEKPRNFOXGLAY-DOTOQJQBSA-N	249.442	4.825	0	10	BJAE	
C[C@H](CC1CCCCC1)NCC[C@]12CCC[C@H]1C2	2061572818	UAHOVFOMSIINTG-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCCC1)CC[C@]12CCC[C@@H]1C2	2061625862	GQPMBGCGOUREJG-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@]2(N)CCCCCC23CC3)C1	2062021353	UTSWYGBGOJOPMU-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2C[C@@H]3CCC[C@@H]3C2)c1	2063532861	ZGPSVNQMRNSUCO-PHZGNYQRSA-N	244.378	4.509	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC23CCC(CC2)CC3)[C@@H](C)C1	2065280652	XOSCWWNVLOYZIR-WIYXDNOOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)CC23CCC(CC2)CC3)C1	2065303965	WOGJDJQMWYVZQN-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(CC12CCC(CC1)C2)[C@@H]1CC1(C)C	2065339543	MSFLTSYSECTUDU-VVBDHPJYSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)CCC(C)(C)C)cc1O	2065468559	KIDYTFCPMGLRCQ-ZDUSSCGKSA-N	249.398	4.636	0	10	BJAE	
CCCC1(C[C@@H](N)c2ccc(C)cc2C)CCC1	2069267946	IXSKJVHXNPNRBR-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
CCCC1(C[C@@H]2CC[C@H]3CCCC[C@@H]3N2)CCC1	2069343660	BNIJYHNPQNWSHO-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)C[C@H]1CC[C@H](C)CC1	2072669587	OYFJVGORPUDWQE-RCBQFDQVSA-N	246.394	4.553	0	10	BJAE	
CCCC1CCC(CN[C@@H]2C=CCCCC2)CC1	2072797466	ZLDUKCYCHDHWOV-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@]23CCCC[C@@H]2C3)cc1	2074050898	MMUGCDSGUDVNRJ-NVXWUHKLSA-N	242.362	4.538	0	10	BJAE	
CCCC1(C[C@@](O)(CC)c2ccc(C)cc2)CC1	2074610841	CFACQTZXLXVMCV-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N(C)C1CC2(CCCC2)C1	2074896955	SGRAKIBNQGPUSR-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
C[C@@H](C1CC(C)(C)C1)N(C)CCC1=CCCCC1	2075145339	GAGFMZUXCDGBFZ-AWEZNQCLSA-N	249.442	4.633	0	10	BJAE	
CCN[C@H]1[C@H](C2=CCCCCC2)CCCC1(C)C	2076395865	OEFNNCIOZWNOIU-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCCc1ccc([C@@H]2CCC(=O)[C@H]2CC)cc1	2077923083	JLKOWSDCGAQCFS-HOTGVXAUSA-N	244.378	4.502	0	10	BJAE	
CC1(N)CCC(C[C@H]2C[C@H]2C2CCCCC2)CC1	2079703826	XAKAXZHFSHNJBH-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(C2=CCCCCC2)CCC[C@H]2CCCC[C@@H]21	2081123310	QNLBSCNJTIJZRU-PVAVHDDUSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H]1CC12CCCC2	2081779655	HINDPVMINGNMFY-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCCCCc1ccc([C@H](N)C(C)C)s1	2210520588	WTGWEPXOUUMWLV-CQSZACIVSA-N	239.428	4.527	0	10	BJAE	
CCC(CC)CC(=O)[C@@]1(C)CC=C(C)CC1	2211857466	SALOTIVPWVWRTQ-HNNXBMFYSA-N	222.372	4.518	0	10	BJAE	
CCC(=O)c1cccc(-c2sc(C)cc2C)c1	2213607594	VMSKNXJBMZXCSV-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CC1(C)CC(C)(C)C1	2215401905	RVNQWMGHLDAXIC-XJKSGUPXSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@]1(O)CCC[C@H](C(C)(C)C)C1	2216252551	KUYHNMYVBQDXBV-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
C[C@](N)(CCCCCCCC1CC1)CC1CC1	2216859948	KVRTYFMAUNJKGS-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)=C(F)CNCCCCCCCC1CC1	2216901351	XBTDFFDJAQXHRR-UHFFFAOYSA-N	241.394	4.590	0	10	BJAE	
CCCCC[C@H](CN[C@H](C)CC)C1CCCC1	2217138199	DQMAVGNTCBYJGL-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1C[C@H]2CC[C@H]1C2	2218717900	IQXWTSTYQJXPDD-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1(C)CC2(CCC2)C1)[C@H]1CC[C@@H](N)CC1	2221031496	HDEGQHIDDIDTDZ-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1CC(C)C1)[C@]1(C)CC=C(C)CC1	2221613492	DJZUFQCTJJKDDD-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(CNC2CCC2)CC2(CCCCC2)C1	2223595384	NKIWQVGPMHNOLK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1ccc(C2CCC2)cc1	2223701012	GGBZAJNGNQTKLF-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CCCCCC[C@](C)(O)c1cccc2ccoc12	2224161585	BWEMTYDHVRQERE-INIZCTEOSA-N	246.350	4.611	0	10	BJAE	
Cc1c(Cl)cccc1NCC1=CCCCC1	2243244357	YSJVPYCSNAPMAL-UHFFFAOYSA-N	235.758	4.561	0	10	BJAE	
CN[C@@H](C)CCCC[C@@H](C)CCCC(C)C	2244845450	PHWWAEUGZYIWEI-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](C)(N)CC[C@H]1CCCCC12CC2	2246622048	ZNFDIZGEALBMLQ-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(C(=O)CC2CC3(CCCC3)C2)s1	2246809060	RWABQKHNQYJIRC-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](C)(N)C1CCCC1	2248856076	VANARBMVLMOMMK-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](C[C@H]1CC[C@H](C)CC1)NC	2250369150	FRNBGVXKDSDYET-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H]1CNC(C)(C)C1	2250469190	MDFSRZZKGGQESV-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@]12CCCC[C@@H]1CC2	2251157241	GXJBUFLWBRRXSL-CJNGLKHVSA-N	236.399	4.742	0	10	BJAE	
CC1CC(C)(C[C@@H]2C[C@@H](C)c3ccccc3N2)C1	2253752207	LSDNNNIPNCAKCF-DLOXAQCQSA-N	243.394	4.801	0	10	BJAE	
CC(C)=CCCN(C)CC[C@@H]1CCCCC12CC2	2253858969	XBFNPVVGCIAART-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
C1CCCN(CC[C@@H]2CCCCC23CC3)CCC1	2253863423	LMAFRDMFMHUZEV-INIZCTEOSA-N	249.442	4.613	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2CC3(CC(C)C3)C2)C1	2254488900	RKKXTZHOBWTMKD-NECPAEIQSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2254596168	NDEJDKMVVWSCSX-LVNYTYFRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)C[C@H]1CCC12CCC2	2254988540	LPDGXUJDZJASIB-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)CC2=CCCCC2)C1	2255096146	JAFAZLDVVDZFRD-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC(C)NC[C@@H]1CCCC[C@@H]1CC1=CCCCC1	2255141970	VNRPEUFAWKXTOG-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC[C@@H]2CCCC23CC3)CC1	2255227484	PGCFRYDVGBATNX-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CC[C@@H]3C[C@H]3C2)c1	2257879827	OHFMKYDHOXNKES-DVOMOZLQSA-N	243.394	4.585	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@@]23CCCC[C@@H]2CC3)C1	2260546734	CNDLXXZGRZOQQJ-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)C[C@]23CCCC[C@@H]2CC3)CCCC1	2260627862	SBDVFMCEWKNTOS-RHSMWYFYSA-N	248.410	4.886	0	10	BJAE	
CC(C)(C)CC1CC([C@H](N)C[C@@H]2C=CCCC2)C1	2261197290	QTWYXZYVXYAGQJ-PRLABOORSA-N	249.442	4.523	0	10	BJAE	
CC1CC(CCC(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2261509449	JMVNDHBRDZTSMC-WQZDSJPGSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H](C)CC1CC1	2298906769	BQHBZFHDLBCYEZ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(-c2cc(C)cc(Cl)n2)ccc1C	2299620863	DNBQXGRFSFJVQJ-UHFFFAOYSA-N	245.753	4.581	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@@H](C)CC(C)(C)C	2300504511	AYBJNNIBLKSADZ-GOEBONIOSA-N	241.463	4.993	0	10	BJAE	
C[C@H](Nc1cc(C2CC2)ccc1Cl)[C@H]1C[C@H]1C	2300695969	YFZSINYZFPLJPW-NRUUGDAUSA-N	249.785	4.674	0	10	BJAE	
CCC(CC)CC[C@]1(CN)CCCCC1(C)C	2300697292	NGBGXPSRUXEQPC-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)C1CC=CC1	2300704411	QUGBCMAKTZWSOF-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)CC1CCCC1	2300869104	FSPMZTHOYUAAPK-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1C[C@H](C)CC(N)(CC2CCCCCC2)C1	2301143754	XAQQPXQAMUIVKY-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)[C@@H](C)C(C)C	2301960923	GDTCXDRYLBQQRK-UONOGXRCSA-N	233.399	4.903	0	10	BJAE	
CCC[C@@H]1CCCN([C@H](C)[C@H](C)C(C)C)CC1	2301978855	RMDFQYZGYTVCPG-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1CC[C@@H]1C(C)(C)C	2303476932	UTJVILQMFMKJBX-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CC)C(C)(C)CC	2303567825	HENQZHJGWKCUKN-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)NCC[C@H]1CCC(C)(C)C1	2304361112	ODYXJTXVBSZVQL-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(C)CCCCCN2)C1	2304411065	NNQCGEMMQHJXCG-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(OCC[C@@H]2CCC(C)(C)C2)c1	2304430427	ARSUKTUCRNJJJA-AWEZNQCLSA-N	232.367	4.590	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1cccc(C(C)C)c1F	2307571150	ORZKKALGGOTMMP-AAEUAGOBSA-N	235.346	4.550	0	10	BJAE	
N[C@@H](CC[C@H]1CC[C@@H]2C[C@@H]2C1)CC1CCCCC1	2309146940	YWUWKDOCYGRRJS-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1CCC[C@@H]1C[C@H]1C	2310426493	DJAQSZMYGHJTEJ-TUVASFSCSA-N	243.394	4.658	0	10	BJAE	
C[C@@]12CC[C@H](Nc3ccccc3C3CCC3)[C@@H]1C2	2311331193	CIVPWYLZKQTZKZ-XIRDDKMYSA-N	241.378	4.555	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1C[C@@H]2CC[C@H]1C2	2312878563	WQKTVSPLNIJZDD-QLFBSQMISA-N	244.378	4.625	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313198031	DRZKUDQRCGSBCC-QMHWVQJVSA-N	248.410	4.598	0	10	BJAE	
CC(=C(CC1CC1)CC1CC1)c1cccc(N)c1	2313657753	BYRDDHAGADEXCJ-UHFFFAOYSA-N	241.378	4.643	0	10	BJAE	
C[C@@H](CC1CCC1)[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2313664834	KXRQYSRMVQMCPS-LLLHUVSDSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@@H](N)C2(C)CCCCC2)ccc1C	2314642423	LHGWKQXDOLSWIO-MRXNPFEDSA-N	245.410	4.528	0	10	BJAE	
CC(=CCNc1ccc2ccccc2c1)C1CC1	2315242209	OSXPIYDEKVPFQH-UHFFFAOYSA-N	237.346	4.608	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CC[C@@H]2C[C@@H]12	2315876737	AURPKBMPTOBIFS-OWCLPIDISA-N	243.394	4.576	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ncccc1C(C)C	2318019868	GZHMJYJWMJASGM-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C[C@H]1CC=CCC1	2318878278	OIGYZDSZCQRUPK-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CNC2(C3CCCC3)CCC2)C1	2319008289	BYUABOJBNXLFGG-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)CC1=CCCCC1	2320247544	BXFIJDWUXRVUSY-GDBMZVCRSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@@](N)(CCCCCCC2CC2)CC1	2320267863	JRTRAZLTJBBQGG-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC[C@H](C)C[C@H]2C)CC1	2320422259	GMQRMKJNZWBRTR-WBQNTZJQSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@](C)(O)Nc1ccccc1C(C)C	2323918248	AFZFCKXPSPPOGX-MRXNPFEDSA-N	249.398	4.511	0	10	BJAE	
CCC[C@H](CC)CN1CC(C)(C)c2ccccc21	2328102714	QPYUYTPBLWUBMJ-AWEZNQCLSA-N	245.410	4.611	0	10	BJAE	
CCCC[C@H](CC)CNC[C@@H](C)c1ccccc1	19230334	ZKWGQOQYGBPQTI-CVEARBPZSA-N	247.426	4.596	0	10	BJAE	
Cc1cccc(N[C@H](C)c2ccc(C)c(C)c2)c1	20565107	RIOJJRKKIDOGGW-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1cccc2c1CCCC2	21507914	RIKODACBRPVBCI-BBRMVZONSA-N	243.394	4.556	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cccc(F)c2)c(C)c1	21510721	CWVIURWQJIVWGI-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CC[C@H](C)Nc1ccc2oc3ccccc3c2c1	21811866	VTYAFCRJHAGNCD-NSHDSACASA-N	239.318	4.796	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)c1cccnc1	34519900	DCNHHEKYZFLGIF-AWEZNQCLSA-N	247.382	4.507	0	10	BJAE	
CCc1ccccc1N[C@H](C)C1CCCCC1	37213384	PSRAHYBOOZEWBU-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](CCC)NCC	71083917	JMKNILAAUPTGLR-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
C[C@H](c1cccc(Cl)c1Cl)C(F)(F)F	75839686	SFYZIJOXPGODJK-RXMQYKEDSA-N	243.055	4.659	0	10	BJAE	
C1CCC(C2CCC([C@H]3CCCCN3)CC2)CC1	75905712	PMDIKXMRHPCZGU-OFLPRAFFSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc([C@@H](C)Nc2ccsc2)s1	85528479	LCWHFJRUTJVZRX-SECBINFHSA-N	237.393	4.545	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CCC[C@H](C)C2)cc1C	86494055	KYXRANITVUBNJL-XHDPSFHLSA-N	244.378	4.621	0	10	BJAE	
CCc1cccc(N[C@H]2CCC[C@H](C)CC2)c1	86879202	FAWDPGGICNYQDJ-ZFWWWQNUSA-N	231.383	4.630	0	10	BJAE	
CCCCCC[C@]1(N)CCC[C@H](C(C)C)CC1	86940407	TWEQPEHZXMYKQX-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CSc1cccc(N[C@H]2CCCCC2(C)C)c1	94273454	GGEIPFJRHHMJOR-AWEZNQCLSA-N	249.423	4.789	0	10	BJAE	
CC/C=C\C[C@H](CC)c1ccc(F)c(F)c1	107607904	NLTWCPFTEDWXHH-GZTOBOFZSA-N	224.294	4.815	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)c1cccc(C)c1	109725553	ZDNNTPMJYCTIHD-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2ccc(C)c(N)c2)cc1	109774230	VPJZNPKLWFQBJF-GFCCVEGCSA-N	239.362	4.758	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1ccc(C)cc1	111817219	WMEWJAIWAOCCLP-GOEBONIOSA-N	234.383	4.635	0	10	BJAE	
CCCCCC[C@H](C)CNc1ccccc1	114811502	CIHPQJLCFZMDSK-AWEZNQCLSA-N	219.372	4.705	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2CCC3(CCCC3)CC2)C1	129251571	CMEKCXPHMVZZLG-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC(C)NC[C@H](C)[C@H](C)c1ccc(C(C)C)cc1	133057343	SLPFZSDNPWNSME-GJZGRUSLSA-N	247.426	4.548	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1c(C)cc(C)cc1C	164021650	FOIMDYFLMKBHMA-CABCVRRESA-N	231.383	4.602	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)c1ccc(C(C)(C)CC)cc1	167349117	LGEDBWXEWQKHTI-CZUORRHYSA-N	247.426	4.810	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1cc(C)c(C)cc1C	168628280	XRGZTKJGRCRPIM-WBVHZDCISA-N	247.426	4.828	0	10	BJAE	
CCSc1ccccc1Sc1ccccc1	196752481	PMBRUPIDYDDFFG-UHFFFAOYSA-N	246.400	4.950	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CC[C@H](C)[C@@H](C)C2)c1	220573315	VQQRKFQFTMHNCG-QEJZJMRPSA-N	231.383	4.540	0	10	BJAE	
C[C@@H](F)C1(c2cccc(Cl)c2)CCCCC1	220783200	PREJMQGHTGRFBI-LLVKDONJSA-N	240.749	4.900	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CCC[C@@H](C(C)C)CC1	220798891	BLDLZFLRXGHKPR-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)C1CCCCC1	225976541	IFMWRRADLMZXIR-ZBFHGGJFSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CCC)CCCC	225995992	NQVUTQTUZUKRMS-GJZGRUSLSA-N	227.436	4.904	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)CC1CCC1	225997425	MSWCIVWWXUYVAQ-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CCCNC[C@H](C1=CCCCC1)[C@@H](C)CCC	233087154	RHCSEODGJKACNY-HOCLYGCPSA-N	237.431	4.539	0	10	BJAE	
CCC1(CN[C@H](C)c2ccc(C)c(C)c2)CCC1	233093407	NBACETIYQFSMKH-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CCC[C@H](C)C(=O)c1cc2sccc2s1	233327021	UYQLBZVQPGJBLM-QMMMGPOBSA-N	238.377	4.582	0	10	BJAE	
Cc1ccc(Cl)cc1NCCC1CCCC1	300752045	LLFHARBYGYZWEZ-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H]1CCCc2ccccc2C1=O	302552810	KHVQTSJPVWUHBJ-HIFRSBDPSA-N	244.378	4.504	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@H]2/C=C/CCCCC2)C1	305930709	DHBRVBUNEDENRY-ZSNTXQGPSA-N	249.442	4.681	0	10	BJAE	
CC(C)Cc1cccc([C@H](O)[C@H](C)C(C)(C)C)c1	306058116	VPNHIWNNMJSIRW-XJKSGUPXSA-N	248.410	4.601	0	10	BJAE	
CCN[C@@H]([C@@H](CC)CC(C)C)[C@H](C)CC(C)C	308090736	GNEZVPKLHOYBAW-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
C/C(=C\c1ccc(C(C)(C)C)cc1)CCCCN	310799444	AGQUREHNCMJZHP-BUHFOSPRSA-N	245.410	4.516	0	10	BJAE	
C[C@H]1CC[C@H](N[C@H]2CCCCC23CCCC3)CC1	311156366	XGLFRKUOWUHKDQ-JYJNAYRXSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(N)CC(C)(C)CC(C)(C)C1	319627078	NKQCDXKHJMJWMC-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C(=O)c2cccc3ccsc23)CC1	379890753	ZXLMNLXJDUXQGE-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCC(CC)[C@H](C)Nc1nccc2ccsc12	382418198	ODFHEBKEWUQJRE-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
CC(C)CCCCC[C@H](C)[C@H](C)CNC1CC1	383236870	UQPOZPIOMHBJIK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H](CCC(C)(C)C)Nc2ccccc21	383340092	XIYIBQBIGPFHPI-STQMWFEESA-N	231.383	4.801	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1ccc2sccc2c1	386308289	LLOWJUQGBLUKRG-BXUZGUMPSA-N	247.407	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CC23CCCCC3)CC1	387243505	JMXPXWAFXHTITJ-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1C[C@@H](C)CC[C@@H]1C	391172878	MAKQSDKAKLUMRD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)C)c1cc(C)cs1	393308221	OIBRRJCOOWMRFM-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC1(CNCC2(C3CC3)CCC2)CCCCCC1	394599509	CHWKWWNMQWFHDG-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCCCC1CCCCC1	395214496	LSZSPUBLSHNVDM-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
Cc1cc2c(C(F)(F)F)csc2cc1S	396308721	RRUNBVRSIHGARF-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC(C)(CC[C@@H](N)CCC1CCCC1)C1CC1	405783535	CNBUCZSYKVIUSL-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C2(C(C)C)CCC2)cc1	686922613	LZIKTLUIRDLHSP-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
FC(F)c1ccc(NCCCC2CCC2)cc1	688387014	RZCIHZKFIHOKPK-UHFFFAOYSA-N	239.309	4.616	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cccc(C3CC3)c2)C1	690078096	VAPSCUYYBHPDKK-BBRMVZONSA-N	243.394	4.945	0	10	BJAE	
CCC[C@H](C)CNc1ccc(C2CCC2)cc1	690152507	GKOWZFZCYYCKAF-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1NCCC1=CCCC1	691097111	FLWJXJOGOKCOAV-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CNC1CCC2(CC1)CC2)C1CCCCC1	695689259	KVUZEMOKRDIWDT-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CCCC2(CC2)C1	695761977	VNJSTEHJGQFCHH-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C(C)(C)c1ccccc1	696597090	HJYUVWMALBCIMV-OAHLLOKOSA-N	248.410	4.542	0	10	BJAE	
C[C@H]1CCC[C@]1(CCCC1CCC1)CNC1CC1	701575607	CCOKYSZKKYMTBI-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)CCCC(C)(C)C	704723681	NAKAYOBNVOAQAH-CHWSQXEVSA-N	228.420	4.636	0	10	BJAE	
CC(C)CC1(NCC2CCCCCCC2)CC1	706080835	XDDWPXLGRBTHNA-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c([C@H](N)[C@H](C)CC(C)(C)C)cc1C	708255480	AUUJCLCNNAGLGW-GDBMZVCRSA-N	247.426	4.684	0	10	BJAE	
CCC(CC)(CC)N[C@H](C)[C@]12CCCC[C@H]1C2	709088524	XALCRNMVNOWZAP-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
C[C@H](N[C@H](C)C1CCCCC1)[C@]12CCCC[C@H]1C2	709157652	WFQZIUINYHDGBN-YQFWSFKMSA-N	249.442	4.514	0	10	BJAE	
Cc1csc([C@@H](O)C[C@H](C)CC(C)(C)C)c1	709169689	UZNQHVILMPZMEZ-JQWIXIFHSA-N	240.412	4.552	0	10	BJAE	
CC[C@@H](NC[C@H]1CCCC2(CC2)C1)C1CCCC1	709974816	JBQSWUJMRULDGR-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)c1cccc(CC)c1	710242650	DQKZVNAIRJLACH-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CCC(C)(C)CC)C1	711301765	ULBFFOHIZKZYJC-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@@H]2CCCC[C@@H]21)C1CCCCCC1	712471512	XDTJGDRCUPMNEI-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](O)CC(C)(C)C	713171523	XJHPUGRQBZEHRN-CWRNSKLLSA-N	248.410	4.613	0	10	BJAE	
CCC(C)(C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1N	713265935	QWFMOZBDJHXZQF-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C/CC[C@@H](NCC)C(CCC)CCC	713680257	AXSWYMDZKIZBAD-ZNFPLGDCSA-N	237.431	4.703	0	10	BJAE	
C=C/C=C\CC[C@@H](CC1=CCCCC1)NCCC	713741094	SPBULSBKSGSCIB-OSJSJHBBSA-N	247.426	4.768	0	10	BJAE	
C1CCC(CN[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1	714303069	IHONOZVTAPLHMM-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(NCCCCC2CC2)CC1	716358593	PBVSBWIPRYVOBM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(F)(F)CCC[C@@H](O)C1CCCCCCC1	718638733	QPSPVEHWAGCCNS-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1c(C)csc1C	724987027	CSBNNSFUVRGLLV-GFCCVEGCSA-N	238.396	4.620	0	10	BJAE	
C/C(=C\Cl)CSCc1cccc(Cl)c1	1473021324	AZZWURRHWMFFER-RMKNXTFCSA-N	247.190	4.716	0	10	BJAE	
CCC1(CC)CCC(NCCC2(C)CC2)CC1	1560461623	SVWLGBUGGDBYNM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)S[C@H]1CC[C@H](C)C1	1613708043	GCPLCLQEHIZZOM-RYUDHWBXSA-N	214.418	4.877	0	10	BJAE	
CC(C)[C@@H](C)S[C@H](C)c1cccc(F)c1	1643739024	BEFMCSYLFFGVGY-GHMZBOCLSA-N	226.360	4.664	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNCCC1CCCCC1	1648781773	BHASLZALMAAGFL-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CC[C@@H](CC)CN[C@H](C)CC	1900701297	LHUCTRXMHIPHBH-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@]1(C)CC=CCC1	1905313017	WTGMLRSOAMGMCL-DZGCQCFKSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)CC(C)(C)CCNC(C)C	1905360788	MFELDCAVNVBCQT-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C[C@H](C)C(C)(C)C	1905431508	KPPSNRDHASMHCC-QWHCGFSZSA-N	226.404	4.844	0	10	BJAE	
CCCCC[C@@H](C[C@H](CC)CCC)NCC	1905444198	KWLLBYIWNPMHBQ-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H]1C[C@H]1CCC	1910655332	ZPHFYUKDVIFXGE-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC1(C)CCC1)C1CC2(CCCCC2)C1	1912600168	VDBRPXLSMVBTGY-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC2(CCCC2)C1	1916432200	YSNJBUTXWLMJTI-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@](O)(CC)CC1CCC(C)CC1	1919523422	KLMRSTZAJXVNIY-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)c1cccc(C2CC2)c1	1919980831	JWLVVRUUVGURJN-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1CCC[C@@H]1C	1919987746	OCNJXXGYCHIMSS-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CC(C)c1ccc([C@](C)(O)CCC2CCC2)cc1	1920045934	LRFKXBBULGOWRZ-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCC1CC([C@H](O)c2ccc([C@H](C)CC)cc2)C1	1921168528	BSQZYNFDAUPIES-PSPNYPNSSA-N	246.394	4.670	0	10	BJAE	
CCCC1CC(CNC(C)C)(CC(C)(C)C)C1	1921311724	QWUBQGSMXOGFQE-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H](C)C2(F)CC2)cc1	1922867388	DUZVRAASWHFIOW-NWDGAFQWSA-N	235.346	4.503	0	10	BJAE	
Clc1sccc1NCCCCCC1CC1	1928106726	KBIPMGIEOSMOOC-UHFFFAOYSA-N	243.803	4.784	0	10	BJAE	
CCC[C@@](O)([C@@H](C)CCC(C)C)C(C)(C)C	1937160854	ABYKGTZOMSBKGD-DZGCQCFKSA-N	228.420	4.636	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)[C@@H](C)CCC(C)C	1937172882	DQWBZXAYAHSUEJ-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
CCCCCC[C@@H](N)c1ccccc1C1CC1	1941526971	AOODILCLTGZVCB-MRXNPFEDSA-N	231.383	4.534	0	10	BJAE	
N[C@H](CC1CCCCC1)c1sccc1C1CC1	1942506242	RIOHICZOINQOCP-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
C[C@H]1CC(C[C@H](N)CCC(C)(C)C)C[C@H](C)C1	1944203527	OCXOLCQVAWAITC-UMVBOHGHSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CCC[C@H]2C)CC1	1944797381	OLHQIONKVDRRLH-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2CCC[C@H]2C)CC1	1944819279	JUWKCPWZBWPGNR-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCNC[C@H]1CCC	1944891208	NSQARKNOFOOJIM-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)c1cccc2sccc12	1945960768	OJPKNMGNJYXEJE-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCC(C)(C)C1CCCC1	1946158158	KVSYZGIDVPTWII-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1947855269	HNXFKRHXBWAJLA-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H](C)[C@H](C)CC(C)C	1948333360	RXWQAEJFSJQNRR-JJXSEGSLSA-N	241.463	4.862	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H]1CCC[C@H](C)C1	1948992880	BHJBBOOBTDTYMP-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)CC1CC(C)(C)C1	1949735363	CGJMEZOKLOTIPT-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1CC2(CCC2)C1	1949841377	BDQNGVHURKGMFU-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1CCCCC1	1949907134	KXVLDEQNRWVMHG-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](C)CN(C)C[C@@H](C)C1CCCCC1	1964258285	HMCPTGGMYMXSQQ-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
C[C@@H](NC1C[C@H]2CCCCC[C@@H]2C1)C1CCCC1	1967758046	YBANTRSFQHTHCP-FVQBIDKESA-N	249.442	4.514	0	10	BJAE	
Cc1cc(-c2nc(C3CCC3)cs2)ccc1F	1968480668	YKVSXLIBJSXWNV-UHFFFAOYSA-N	247.338	4.525	0	10	BJAE	
c1cc(N[C@H]2CCC3CC2C3)c2sccc2c1	1971686195	QJPVAHQPXZWWSM-GDKBPFBDSA-N	243.375	4.502	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCCCC23CCC3)[C@H](C)C1	1972819036	CFLPNOZNYGIQKB-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCCC(C)(C)C1	1978374958	PQBGVIVKCRUDBN-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC1(C)CCC(O)(C(C)(CC)CC)CC1	1981064844	CWTNLVIZVXKRNB-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](N)CCC[C@H]1CC[C@H](CC)CC1	1989816158	ISMXUKNWTDYVNN-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCC(C)(C)C1	1990093737	NZDWSXXWFIZZOH-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@@H](C)C(C)C	1990125588	NKVQOCSZHYBREZ-HUUCEWRRSA-N	227.436	4.569	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CCC(C)(C)C	1995252945	BGIIUFAQMCFVAT-UONOGXRCSA-N	228.420	4.780	0	10	BJAE	
CCC/C=C/CN[C@@H](C)C1CCC(C)(C)CC1	1996546492	KRLKSDHHXUINLT-NPQIQWPPSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CNc1ccccc1SC1CC1	1996551058	ZKOLFKCLKTXCCA-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CC[C@@](N)(C1CCCCC1)[C@@H]1CCC(C)(C)C1	1996593407	GRLSOCNNAOEFRM-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CSc1ccc(N[C@H](C)C2CC(C)(C)C2)cc1	1998651153	RERJHNRSOJWODY-LLVKDONJSA-N	249.423	4.645	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CCCC1(C)CC1	2000312924	OPLPEMZLCSLDQD-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@H]1CC12CCCCC2	2001224134	GJPDLLCJIIZXNH-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@@]2(C)CC=CCC2)c1	2001699773	QMLODJHQHVEXQE-HNNXBMFYSA-N	249.785	4.807	0	10	BJAE	
CCC1CCC([C@@](C)(N)CCCC(C)C)CC1	2002924398	JXGDGSGLLHTLJB-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CCC(F)(F)CCC(=O)[C@H]1CCCC(C)(C)C1	2002993596	MCEYMYWXPQDJFB-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(O)CCCC2CC2)C1	2003021953	RSMGVGJUWAUBSQ-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(F)F)C[C@@H]1CCCCCCCC1=O	2003074876	NBUPTVQHUFQYFQ-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC1CCC(NC2CCCCCCCC2)CC1	2003097463	ASEGBHKTXBWCNU-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
C[C@@H]1CC[C@H](NC2CCCCCCCC2)[C@@H]1C	2003098892	IMMACNMUANGAQU-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
O[C@@H]1CCCCCCC[C@H]1C1CCCCCC1	2003118474	RUCPDNWSJVCFEJ-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
Cc1sccc1C(=O)C[C@@H]1CCCC2(CC2)C1	2003287627	LQHANMJUUXPVHX-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@@]1(C)C=CCC1	2003330904	UQMFMKYDBSNFHG-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C1(C)CCC1)C1CCCC1	2004822414	NTPOBZCYRALXKA-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C1CC1)C1(C)CCCCCCC1	2004921864	ATZWNNBRCVHAHZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](N)C[C@H](CC)C1	2006628413	PMDUGORZMDUZJE-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)[C@H]1CCCC(C)(C)CC1	2006719494	WEROVPCWHPNOBV-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1C1(O)CCCCCCCCC1	2006765496	LRSFKZIFWITESZ-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1CC1CCC(C)(C)CC1	2006985609	AVOKOLZMJHSIRO-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CC(CC)CC	2007939083	DMXIWIIEASJTGB-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)CC[C@H]1N)C(C)(C)C	2009412309	WYVZZORYUJSURS-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C[C@@H](CCC1(C)CC1)NC)C(C)(C)C	2009548810	QPXPMKDHVGMTQF-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@]1(N)CCC2(CCCCC2)C1	2009576141	ISUWLFNMQHCEBI-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC=CCCC[C@H](O)[C@H]1CCC[C@H](CC)CC1	2009589374	NHTXYNKARPGSBH-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CC=CCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1N	2009616689	LDZFSDLVJMXEIV-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)C1=CC[C@@H](CC)CC1	2010747791	MDJTZWTYOYVWFZ-BMFZPTHFSA-N	237.431	4.523	0	10	BJAE	
Cc1cc(C(=O)CC2CC(=C3CCC3)C2)cs1	2011070528	BTGDABOZSSZPNJ-UHFFFAOYSA-N	246.375	4.520	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCCC(C)(C)C1	2013265396	WGAYMGBXGLAOJO-HUUCEWRRSA-N	239.447	4.760	0	10	BJAE	
CC1(C[C@@](C)(N)[C@H]2CCC2(C)C)CCCCC1	2014883284	WKNCEFFGBNMJKZ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(O)C[C@@H](C)C(C)C	2015268837	FTKLYCUUUMAYQH-PMPSAXMXSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](CC(C(C)C)C(C)C)NC	2015285571	XRQZVTOHHAEEFC-HOCLYGCPSA-N	241.463	4.575	0	10	BJAE	
CC(C)C(CC[C@H]1CCCCC[C@H]1N)C(C)C	2015359524	DIRWUASLBSUBST-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@H]2CCCCCCC2=O)CCC1	2015593691	FKOBAESBPBMSFT-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
CCc1cccc(C)c1NC[C@H](CC)C(C)C	2016105514	FWXKCTXZXYBULZ-HNNXBMFYSA-N	233.399	4.652	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C)CCC=C(C)C	2016149812	NEWSCXMIRQOWPQ-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@H]1CCCCCCCC[C@H]1O	2016312823	PMRFRMFWELPIKB-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CC1(C(C)C)CCC1	2017122062	WRMWOMQIUVIZFE-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](O)(CC1CCC(CC)CC1)C1CC1	2017647555	GOZLVEZQTQIDEJ-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC1C[C@@H](C)C[C@H](C)C1	2017699014	COWSAHFQFIMBIF-HEHGZKQESA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(C)CC[C@H](O)C2)CC1	2017724550	GPPRABLBLZOUBR-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](C[C@H]2CC[C@H](C)CC2)C1	2017775619	DTYPJRCLEJKNCC-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C[C@H](O)CCC2CCC2)CC1	2017776746	TYKRLPXEAGRSMB-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](N)(CC)C1=CCCCCCC1	2018136898	PZOZYDYMFAIJIG-MRXNPFEDSA-N	237.431	4.955	0	10	BJAE	
CC1(C)CC=C([C@@H]2CCCC(C)(C)C2=O)CC1	2020387651	BIYYCHDBQRRMSV-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@@H]1CCCC(C)(C)C1	2020971619	MLDBIUSOYRPYRM-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C(=O)C[C@@H]1C[C@@H]1C(C)(C)C)C(C)C	2022555669	ZFLPXHAUHLXULG-STQMWFEESA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@@H]2C=CCCCCC2)CC1	2026930181	RDYQXDGMFOSHQT-BRWVUGGUSA-N	249.442	4.680	0	10	BJAE	
CC1CC(CC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1	2027588768	QVJKTYBHVSOWHR-KDQUWOQTSA-N	248.410	4.598	0	10	BJAE	
CC1(CCCNc2ccc3ccccc3c2)CC1	2027844271	YJGDKFYSIIMJLF-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
CCCc1oc2ccc(C(C)(C)CC)cc2c1O	2028131201	OJERKALWSYIAIJ-UHFFFAOYSA-N	246.350	4.779	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)c1cccc(C2CC2)c1	2028553455	ZOMUPHPNNUSFQN-OAHLLOKOSA-N	245.410	4.636	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)c1ccccc1C1CC1	2028579384	WISQQWUFBQHWFN-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCCCC[C@H](NCC)c1ccc(C2CC2)cc1	2028591731	WASBDIZUMFHDDY-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CC1(C[C@@H](N)c2ccccc2C2CCC2)CCC1	2029067662	HEGDMKXYUACDDK-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1ccc(C2CC2)cc1	2029835218	DOMLQEBZOQGNRW-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccc(C2(C)CC2)cc1	2032242002	BXMJFIZPGRRLJV-CZUORRHYSA-N	243.394	4.729	0	10	BJAE	
C[C@H]1CCC[C@H]1CC1(CNC(C)(C)C)CC=CC1	2032505414	IBDYICQXUFFTFG-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H]1CCC(C)(C)C1	2033379334	PYAJYBPSPDIZTD-AWEZNQCLSA-N	244.378	4.648	0	10	BJAE	
C[C@H]1CNC2(CCCC2)[C@H]1C1CCCCCCC1	2033527503	MRXMWMJAGVQVDN-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC(C)(C)C1=CCCC1	2035410848	PFLDQDMIHOSVSF-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C=CCCC1)C1CCCCC1	2035566426	UGAURDPSYSUWRS-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CC([C@@H](N)C2=CCCCCCC2)C[C@@H](C)C1	2037077769	FZRKBCKLGYZFRB-ZQIUZPCESA-N	249.442	4.667	0	10	BJAE	
CCN[C@H]([C@@H]1CCC2(CCCC2)C1)C1(CC)CC1	2037690760	OCDBIAOFBQWOHI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1[C@H]1CCC(C)(C)C1	2037693844	JORUVYKNNDSYNP-DVOMOZLQSA-N	243.394	4.658	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2C[C@@H](C)Nc3ccccc32)C1	2037699169	QUHBATBFFDFIIW-KBXIAJHMSA-N	243.394	4.801	0	10	BJAE	
CC[C@@](C)(CNC1CC1)[C@H]1CCC2(CCCC2)C1	2037702353	KPSGUFAMCOHTPR-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)[C@@H]1CCC2(CCCC2)C1	2037706952	ZJFVWTQIMRMZPW-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1=CCCCCC1)c1ccccc1	2038141396	QOKCAIDQFBFNSO-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@H]1CC12CCCCC2	2039011371	HFKJWNFXMZSNQV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC[C@H]1CC12CCCCC2)C1CCCCC1	2039059197	RYRBCGGFHHZSTB-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@@H](N)[C@@H]2CC23CCCCC3)CC1	2039077946	DIOIENMGTQHLJO-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H]1CCC[C@@H](C)CC1	2039367476	VWWBZZNUEDHASJ-IKGGRYGDSA-N	249.442	4.703	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)C[C@H]1CCC[C@H](C)C1	2039440569	GJUUNWVDQDKRCT-ZZTPXLKCSA-N	249.442	4.523	0	10	BJAE	
Cc1cccc(N[C@H](C)C23CCC(CC2)C3)c1C	2039858988	HABYYCSGMZJMLC-HPUBIQBYSA-N	243.394	4.684	0	10	BJAE	
CCC[C@H](NC[C@]1(C)CC=CCC1)[C@H]1CC1(C)C	2042073538	AVRONXDYUXJWDD-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCC1)c1ccc(C2CCC2)cc1	2042745499	VQMOHNNYHIJWOW-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
Cc1coc(C)c1C(=O)CC1CC(C(C)(C)C)C1	2043003732	XNDTZAWUKORIGD-UHFFFAOYSA-N	248.366	4.542	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)[C@H]1CCCC(C)(C)C1	2045537691	CPMIPGUJLXCUFH-CAOSSQGBSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047405942	HMZVRFHRJFLMOK-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2C[C@@H]3CCCCCC[C@H]32)C1	2047437946	PNCUDLUZPVXLNM-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CC(C)NC[C@]1(CC2CCCC2)CCC12CCC2	2047945221	AWRIBYQZYDLVSA-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCCC1	2048469433	XQOQLWBSJJPIIL-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@@](C)(N)C[C@H]2C=CCCC2)CC1	2049413546	ZAIMYBXGZYYCEM-XGHPGWEVSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](C1CCCC1)N(C)[C@@H]1CCC2(CCCC2)C1	2049430674	JPFNQYZMZXXFII-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
CCc1ccc(C2(O)CCCCCCCC2)cc1	2049696661	IWEBTNFRIMVHGO-UHFFFAOYSA-N	246.394	4.571	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC2(CC2)C1)C1(C)CCC1	2049853713	KPUJWFYKAUJUJI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CCCC3(CC3)C2)C(=O)C1	2049949313	YCRGVYCEBKTPKL-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@]1(C)C=CCC1	2050008168	SLWVOOWODDCYFV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@]1(C)C=CCCC1	2050008765	VQDCDWYKVZAVTL-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C1CCC(CN2CCCC[C@H]2C2CCCC2)CC1	2051675169	PENIGLDKDFGWCF-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CCCCC12CCC2	2053354707	GCIXVTDYJJWQOY-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@H]1CNC1CC2(CCCC2)C1	2053386951	VBFUGRWDFYHQMC-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@H](O)[C@H](C[C@H]2CCC=CCCC2)CC1	2055545540	VIUNGWGSXCWWEH-ULQDDVLXSA-N	248.410	4.620	0	10	BJAE	
CCC1CC(C[C@H](N)C2CC3(CCCCC3)C2)C1	2056646533	VRSUIUQRSXTUFY-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CCC[C@@]1(CC2CC(C3CC3)C2)CCCCCN1	2056647221	ZMDHJCYMYFHFBU-PREGVCBESA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCCC)C[C@H]2CC[C@H]1C2	2059256960	UEGIPPBISIRVID-GGACTWEQSA-N	249.442	4.539	0	10	BJAE	
C=C=CC[C@H](NCCC)c1ccc(C(C)C)cc1	2059443680	HNQRLKXIBIILEN-KRWDZBQOSA-N	243.394	4.582	0	10	BJAE	
Cc1ccc([C@H](O)CC2=CCC(C)(C)CC2)cc1	2061091146	GTXYNKDLSMYTAN-MRXNPFEDSA-N	244.378	4.555	0	10	BJAE	
CC[C@H]1CC=C([C@]2(N)CCC23CCCCC3)CC1	2061115429	HMIVKHSLPCKMJQ-WMLDXEAASA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](C1CC(=C2CC2)C1)[C@@H](C)CC(C)C	2061651175	URVDSGHTGKDFOF-GUYCJALGSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1CC(=C2CC2)C1)NC	2061725204	CETKHGCDWPIURS-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063424526	VKTQYRKJLYSJNJ-CAKSMRJCSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(N)(CC2C[C@@H]3CCC[C@H]3C2)CC1	2063488713	CQVHFSLCAJMDRA-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCCCC1CC(N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063495518	CIBKYIOTWJDDLO-AQRZSSMZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1C[C@H](N)CC2(CCC2)C1	2063640576	LNBXUYIFQVEPHV-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@H]3C[C@@H]2C3)cc1	2069220229	IQCILVOIQVBRJC-HLLBOEOZSA-N	243.394	4.630	0	10	BJAE	
CCCC1(CC[C@H](N)c2ccc(F)cc2)CCC1	2069342426	ONUKRXYTGNGGRW-HNNXBMFYSA-N	249.373	4.576	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CC1CC(=C2CCC2)C1	2070412289	AYIAYOSJCUGUBI-KRWDZBQOSA-N	248.410	4.764	0	10	BJAE	
CN[C@H](CC[C@@H]1C[C@@H]1C)C[C@@H]1CCC=CCCC1	2072083392	PRMGNXHZWUDREM-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2072797251	XSLUNTYXHWFGRU-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)C=CC[C@H](C)C2)CC1	2072876257	YFUXJULHSGPMMA-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2CC[C@H]3C[C@@H]32)CC1	2072879822	XBPRAYQTKNKMKY-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@]23CCCC[C@H]2C3)cc1	2074050897	MMUGCDSGUDVNRJ-DOTOQJQBSA-N	242.362	4.538	0	10	BJAE	
CC(C)(C)C1CCC(N2CCC23CCCC3)CC1	2075226767	DLGBYMUEUOXCER-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CC1(CNc2ccccc2C2CC2)CCCCC1	2077262131	MTVIVDIHNFTTSP-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CCCNC[C@]1(C[C@H]2C[C@H]2CCC)CC=CCC1	2079669645	ICKUXYQGIXFMBV-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)C[C@@H]1C[C@@H]1C1CCCCC1	2079833883	YVEKDPYLCSSXKK-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)C[C@@H]2C[C@@H]2C2CCCC2)CCCC1	2079852938	SWHBJJAXWXSTSM-GDBMZVCRSA-N	248.410	4.742	0	10	BJAE	
Cc1nn(C(C)C)cc1-c1ccc(C(C)C)cc1	2080776751	RGHWAKUKRGZFNZ-UHFFFAOYSA-N	242.366	4.563	0	10	BJAE	
CCCC(C)(C)C(=O)c1cccc(C(C)(C)C)c1	2083551401	YCINPDZXGINKAI-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N(C)CCC2=CCCCC2)C1	2085284529	PDEBJULRVXGNCI-IAGOWNOFSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC([C@H](N)CCCCC2CC2)CC1	2214566001	RNRFNPDMTHMHJS-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCCC1CCC(N)(C[C@H]2CC[C@H]2C)CC1	2215097497	HIPAEUJRNHKAGZ-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CC1(C)CC2(CCC2)C1	2215462363	YBPKNERXMZFFCL-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)C(=O)CCCCCCCC1CC1	2216893849	FSORYXXJZBDCLH-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CN[C@@H](CCCCC1CC1)[C@H]1CCCC12CCC2	2220030169	JONFBBCETLCOJN-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C[C@@H]2CC[C@@H]2C)cc1	2220634705	UXUGSXTVYDIBNK-BBRMVZONSA-N	244.378	4.504	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)CC2(C)CC(C)(C)C2)CC1	2221625520	PTQHKQZSNJIXIT-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC[C@@H](C)C2)CC=C(C)CC1	2221661832	FQWGFHHQBFZESX-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](c1c(C)cccc1C)C(C)(C)C(C)C	2222007876	YXUMTWINSJAFCS-INIZCTEOSA-N	247.426	4.636	0	10	BJAE	
CCCCC[C@@H](CN[C@H](C)CC)c1ccccc1	2223563553	UZHHDLDMDZALTL-WBVHZDCISA-N	247.426	4.739	0	10	BJAE	
CC1(C[C@@H](N)c2ccc(C3CCC3)cc2)CCC1	2223702274	JYELFKYHCSMENK-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)c1ccc2occc2c1	2224204052	YDHYFWCLUVYAJM-CQSZACIVSA-N	246.350	4.539	0	10	BJAE	
CCCCCC[C@H](N)CCCC[C@H]1C[C@H]1C	2243066486	LYIIEIFVCIKWEL-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1CC[C@H](C)CC1	2244779060	CIZXDPPZEXMXQX-MGPQQGTHSA-N	224.388	4.598	0	10	BJAE	
CCCC1(C(=O)CC[C@@H]2CCC[C@H](C)C2)CC1	2246661880	BVTHTGNOENNVTK-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)CC[C@H]1CCC[C@@H](C)C1	2246671130	XCCXYEUKVLRJNI-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
CCC1([C@H](N)CCCC[C@@H]2C[C@H]2C)CCCC1	2247126241	CHCPHFBNJGZLAL-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC[C@@H]1CCCC12CC2	2247620109	COPSZCHIDNUUQK-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc2sccc2c1	2250355778	MOWBRLFURJVLDS-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)C1=CC[C@H](CC)CC1	2250361516	NKYSADJFPKOYAP-DZKIICNBSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)C1=CCC(C)(C)CC1	2250366293	KTEAPQLRSBIKRC-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@H](C)CCC[C@H](C)CCCC(C)C	2250468938	JOFPHUZIJIXGPQ-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CC1CC(C)(CC(=O)[C@H]2C[C@@H]2C2CCCCC2)C1	2253685310	HUDRXCAOEDIKTP-JIDKMEAJSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)C23CCC(CC2)C3)C1	2253936592	SFJQHSDCMPKKOT-HLUWQOEYSA-N	249.442	4.501	0	10	BJAE	
Cc1cc2ccccc2n1CCCC[C@H]1C[C@@H]1C	2254535680	FKPQJQVTTWDELZ-ZFWWWQNUSA-N	241.378	4.776	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C1CCCCCCC1	2255063508	LFIWQJLADPDBBK-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@@H]1CC1=CCCCC1	2255095007	DJPPQGIOXRJPJX-SJORKVTESA-N	249.442	4.683	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccccc1C1CCC1	2259450208	YZHGTPLIILMWBL-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@]23CCC[C@H]2CC3)C1	2260569580	WWAQOZYYICVUMZ-SOXILONMSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C(C(=O)C[C@]23CCCC[C@@H]2CC3)C1(C)C	2260613171	GFJMBPULPFCOJH-SJKOYZFVSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@]12CCCC[C@@H]1CC2	2298717761	GMOVEMVAHAXYRX-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@]1(CCC(CC)CC)C=CCC1	2300684918	ZBAMGFYQIBTPAE-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCNC[C@@]1(CCC(CC)CC)CCC[C@H]1C	2300702341	WLJXTCZPUBDBIL-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC(C)=CCC(=O)C1(C)CCC2(CC2)CC1	2300926100	IWHSNARSGWJCBB-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@H](C)[C@H](C)C(C)C)C1	2301700769	JQXKQMAZRWXIQP-FPCVCCKLSA-N	239.447	4.568	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)CCC1CCCCC1	2301845060	VPBMDORGSCAFJH-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)CCC1=CCCCC1	2301901013	XRALRQUFZZJJFZ-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@](CC)(C(=O)O)[C@H](C)[C@H](C)C(C)C	2301958189	IKWIXBPWQPKMDJ-NFAWXSAZSA-N	242.403	4.586	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CCCC1=CCCCC1	2302359253	OZTIQAKPOLNATJ-GDBMZVCRSA-N	238.415	4.844	0	10	BJAE	
O=C1CCCCC[C@H]1CCCC1=CCCCC1	2302362124	VTFSLDCTUWFBAL-HNNXBMFYSA-N	234.383	4.807	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@@H]1CCC(C)(C)C1	2302902477	PXTPTHJWWSEXPS-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CC[C@H](C(=O)C[C@H]1CCC(C)=C(C)C1)C(C)C	2303590109	VXTMZHBVKVDLNS-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
c1cc(CNc2ccsc2)cc(C2CCC2)c1	2303731112	ZPLRZGBPVDANOZ-UHFFFAOYSA-N	243.375	4.628	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC[C@H]1CCC(C)(C)C1	2304433266	AEVZAOPDBOMYSM-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(C)(C)c1nc([C@@]23CCC[C@H]2C3)cs1	2307698597	YZHBTLHJLDATNX-XHDPSFHLSA-N	249.423	4.518	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cccc(C)c1C	2307893222	HNKKQUJGCVLTGX-GDBMZVCRSA-N	233.399	4.520	0	10	BJAE	
CCC1(CC(=O)[C@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2311199273	QHNVYKWHGJAWNZ-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312953441	ZGOSDTQJJXODHR-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@H]1C[C@@H]2CC[C@H]1C2	2313031211	PQSZXNUTYXEFJT-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)C[C@@]12CCC[C@@H]1CC2	2313344777	XRJNQORDDYSKPW-FSDCSDTHSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@@H](NC)[C@@H](C)CC(C)C)ccc1C	2314694621	MDVKMVVQRJJOIY-YOEHRIQHSA-N	247.426	4.500	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCC1CC(F)C1	2315874194	GARZJWSIMYMGSB-UHFFFAOYSA-N	249.373	4.669	0	10	BJAE	
C1CCC(C(NC2CCC2)C2CCCCC2)CC1	2316367412	OABAHCNWJLBJHN-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CCC(C)=CC[C@H](N)c1ccccc1C(C)(C)C	2316511311	RZCHLCAZJDVCOV-INIZCTEOSA-N	245.410	4.730	0	10	BJAE	
CC(=CC[C@]1(N)CCC[C@@H]2C[C@H]21)CCCC(C)C	2316535654	JASUFPVNYCTSRO-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@@]2(C)C[C@@H]12	2317931729	LEWIWQSFFVDIEO-LZWOXQAQSA-N	247.357	4.550	0	10	BJAE	
CC[C@H]1C[C@@H]1CCN(C)CCCC1=CCCCC1	2318580475	MJCYHHZOKOWEBW-IRXDYDNUSA-N	249.442	4.635	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)C[C@H]1CCC(C)(C)C1	2319122341	SWLFQRMMJLOKRA-JJXSEGSLSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCC[C@@H]3C[C@@H]32)CC1	2319338652	BXMLPQREKVPYNU-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC2CC2)CCC(C)=C(C)C1	2320268855	UNFFMCMFOAAUFE-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@H]2CC[C@@H]2C(C)(C)C)CC1	2320394106	MHYUMYWZBMBHDF-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@]2(C)CCCC[C@H]2C)CC1	2320417953	ZUNYXIMLNRSQDQ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C[C@@H]2CCC[C@H]2C)c1	2320520524	INCYFEXTQZOPPA-KMFMINBZSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(N(C)CC[C@@H]2CCC(C)(C)C2)cc1	2321641817	IIQCPUCMRNKREE-HNNXBMFYSA-N	245.410	4.648	0	10	BJAE	
CC[C@@H](Nc1cccc(C(C)C)c1F)C1CCC1	2327806362	SYASMGMTTPYKAM-CQSZACIVSA-N	249.373	4.940	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1C[C@H](C)CC(C)(C)C1	20018895	BIQCUALRBLRZRA-SMDDNHRTSA-N	249.373	4.761	0	10	BJAE	
Cc1ccc(NC[C@H](C)c2ccccc2)c(C)c1	21810826	COMJPEJAENETEO-HNNXBMFYSA-N	239.362	4.519	0	10	BJAE	
COc1cccc(-c2ccc3ccccc3c2)c1	34279281	CHZUMHSDCQPIGD-UHFFFAOYSA-N	234.298	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H](c1ccccc1)C(C)C	36967449	NYUASUUVDLIWAO-WBVHZDCISA-N	247.426	4.798	0	10	BJAE	
CC[C@H](N[C@@H](CC(C)C)c1ccccc1)C(C)C	37295192	YFJJSCYSZMRKAH-IRXDYDNUSA-N	247.426	4.798	0	10	BJAE	
O=C(CC1CCCC1)c1csc2ccccc12	38137711	CJMBHVPPFFMIEG-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)CC2CCCC2)C(=O)C1	69405097	QDDZXOSDMNSIBK-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](NCC)C1CCC(CC)CC1	87937745	VQLSCCBZPOILHE-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C)c1cc2cc(C(C)C)ccc2o1	88073162	BLCVSKYZJKBREU-LBPRGKRZSA-N	245.366	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(C(C)(C)C)CCCN1	91446185	NILTYQSOVWKXOR-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@]1(C)CCNC[C@@H]1CC(C)C	92692027	PCCXWHJYHFIDHA-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCCNCC/C=C(/C)C1CCC(CC)CC1	93674954	NMNOISDDBNSQLP-AUWJEWJLSA-N	237.431	4.539	0	10	BJAE	
c1ccc2cc(NCCC3CCCC3)ccc2c1	104171256	FDPFTOQKEOAQLG-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
CCCC(CCC)Nc1c(C)cccc1CC	109900363	PLWNZLVLBFVRLQ-UHFFFAOYSA-N	233.399	4.938	0	10	BJAE	
CCCCNc1cc(Cl)c(C)cc1Cl	132016097	LEKPKGNILSVUIS-UHFFFAOYSA-N	232.154	4.514	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@H](C)CC	133413126	JRUMVMSBTFGLSS-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
Fc1cccc(Cl)c1-c1ccccc1Cl	160400264	XHNDJCMKNJJSFM-UHFFFAOYSA-N	241.092	4.800	0	10	BJAE	
C[C@H](C[C@H](N)CC1CCCCC1)CC(C)(C)C	160979127	IUXOGIDBBUKUBR-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCSc1ccc(O)c2ccccc12	163413071	ACLJDGSFQJVOFF-UHFFFAOYSA-N	246.375	4.684	0	10	BJAE	
Cc1cccc(-c2ccc(Cl)c(Cl)c2)c1	165643119	GFSKGJIVJVYWLL-UHFFFAOYSA-N	237.129	4.969	0	10	BJAE	
CC[C@@H](C)C[C@H](N)c1ccc(C(C)(C)CC)cc1	167348903	LGEDBWXEWQKHTI-CJNGLKHVSA-N	247.426	4.810	0	10	BJAE	
CCc1cccc([C@H](N)C2CCCCCCC2)c1	168234787	HOLSVYNCJNJJIX-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CC[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1	206186365	CDDAPSMXWUNKLY-SECBINFHSA-N	235.714	4.509	0	10	BJAE	
CCCNCC/C=C(\C)[C@@H]1CCC[C@H](CC)C1	211870185	FCFDJCWQBPAEBD-LSHVTDEISA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@@H](C)NCC[C@@H]1CCC[C@@H](C)C1	226861524	NMNWTGLIKOPYMR-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCCC1CCC([C@@H](NC)[C@H](C)CC)CC1	228812801	ZWHUOIHXEALXAV-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCC[C@@H](C(C)C)C2)c1	230986218	PYPLAZJGFPPNQE-CVEARBPZSA-N	245.410	4.930	0	10	BJAE	
CCC[C@@H](C)Oc1ccccc1C(C)(C)C	233282450	DNBHDPRITPDANR-GFCCVEGCSA-N	220.356	4.552	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C2=CCCCCCC2)c1	235868408	GSPPLIIGKOSFJX-KRWDZBQOSA-N	243.394	4.584	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cc(C)oc1C	252404050	CEGKUAGQNWHGPC-XPKDYRNWSA-N	249.398	4.516	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	252899616	HUNQERHGMJOFHH-ZVDSWSACSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(C)cc(OCCCC(C)(C)C)c1	304146950	MPJHXDMLGGAOSJ-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H]2CC[C@H](C)[C@H](C)C2)c1	305670141	KBWJMKCIKPGCAZ-SQWLQELKSA-N	241.378	4.947	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(CCC2CCCC2)C1	305943398	LWBFKONTLNLCIH-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC(C)CNC[C@H](C)[C@H](C)C[C@@H](C)CC(C)C	306016392	XNLZYBMDIDMDIO-XHSDSOJGSA-N	241.463	4.577	0	10	BJAE	
Cc1ccc2c(Cl)csc2c1C(F)F	307526875	JPJDJESBFDRORD-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
Fc1cc2sccc2c(Cl)c1C(F)F	307559557	OTAHSZQCPBVGJZ-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](CC1(CC)CCC1)NC	308100790	RJNVXYQMTFCQJL-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1(CNc2cc(Cl)ccc2Cl)CCC1	308998218	QLYHNKRXUJFBJR-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC1(C)CCCC1)C(C)C	310305781	VITKNQJDADQFBG-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@@H](O)c2ccccc2C2CCC2)CC1	310821522	XGGFSMQGWHGPMB-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCCNCC1(CC(C)C)CCC(C)(C)CC1	318836126	XTGJIOSKGKLAKH-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](C1CCCCCCC1)[C@H](C)C(C)C	318983740	FOTHHFUBIOKQQB-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCNCC1(CC2CC2)CCCCCCC1	319258283	YWOUGZWASUOCHT-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1csc2ccccc12	319624850	BDEYOWRIWKAUIQ-QWRGUYRKSA-N	246.375	4.766	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)(C)C)[C@H](C)C(C)C	319777894	GKACZWQUJVQUGR-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
Cc1cscc1NCC/C=C/c1ccccc1	322917286	JWSMEYQHJFOHGN-WEVVVXLNSA-N	243.375	4.572	0	10	BJAE	
C1=C(CN[C@H]2CCCCC23CCCC3)CCCC1	379575917	YPFNWVLOCYZQJN-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C1(C)CCCCC1	381182094	RRAFQGNKFOXTQN-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CC(C)CCCCCN[C@H](C)c1ccccc1	383195217	XPJXFUSQCPMMJE-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CCCC[C@@H]1C	384758944	AERXYJGEFGJEDB-DZGCQCFKSA-N	244.378	4.819	0	10	BJAE	
CC[C@@H](NC[C@H]1CCCC1(C)C)c1ccccc1	388848205	IIPIQRLRFQQANQ-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@@H]1CCCC1(C)C	388944162	SLXAULKGRIPUHI-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
C[C@@H](C[C@H](O)CC1(C)CCCC1)CC(C)(C)C	393842600	KCMDVBWKVVTMSV-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)[C@@H](C)NCCC1CCCCCC1	394582761	UBEMYXXXGQMSDY-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCCC1=CCCCC1)C(C)C	395306344	DGCYMGSNKNSYNE-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1Nc1ccsc1Cl	395629367	BIIKIENQILXDLW-KXUCPTDWSA-N	243.803	4.638	0	10	BJAE	
CCc1c(C(C)(C)C)[nH]c2ccc(Cl)cc12	395663213	ZVJNOINHCOQPIE-UHFFFAOYSA-N	235.758	4.681	0	10	BJAE	
CSc1cc(F)c2cc(C(F)F)sc2c1	396254525	UEFARRWRSZNDKY-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@H](C)C2CCC2)cc1	398517363	KRGQZZVQTBALMC-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
C[C@H](C(=O)c1csc2ccccc12)C(C)(C)C	399152928	IAHJENHWMLVQPU-SNVBAGLBSA-N	246.375	4.766	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2CC=CCC2)CC1	402144990	KJICTVRGKTVLJN-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](O)(CCCC2CC2)C1	406030091	MFOJUSVZHJCESU-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(-c2cc(C)cc(O)c2C)c(Cl)c1	686552378	GXZYLCDSPWZDHI-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CCCC1(CNc2cccc(C3CC3)c2)CCC1	687271907	SEHKXSPXQMLQOK-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCCC2CCC2)CC1	688991048	AABMHZDRPFHPIR-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCSc1cccc(NCC[C@@H](C)CC)c1	689682172	IMWRZBMPLXQARD-LBPRGKRZSA-N	237.412	4.647	0	10	BJAE	
Cc1cc(F)cc(N[C@@H](C)CC2CCCC2)c1	689800712	NPQCMAZBJYDQRJ-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)c1cccc(C(C)(C)C)c1	691648259	APHMAPYGKBAPHL-BBRMVZONSA-N	247.426	4.666	0	10	BJAE	
CCC(C)(C)C[C@H](O)CCC1CCCCC1	696663147	ZFUWGDHUGRAUQQ-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)CC1(C)CCCC1	704473117	OFRAMFSMZVLJDD-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@](N)(CC)c1ccsc1	704820578	AKKNVOXCJBREFX-AWEZNQCLSA-N	239.428	4.529	0	10	BJAE	
C1=CC[C@H](COc2cccc3sccc23)CC1	705012339	YPLIWUXNBHCOJD-LBPRGKRZSA-N	244.359	4.636	0	10	BJAE	
CC(C)(C)CCC[C@](C)(O)[C@@]12CCCC[C@@H]1C2	709171907	YUAOETJEBBFYKJ-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCCSCC2)cc1	709584831	ILDBFQGRJQCDMS-AWEZNQCLSA-N	249.423	4.508	0	10	BJAE	
C[C@@H](CN[C@@H]1CCCC2(CC2)C1)C1CCCCC1	709978242	JXDDTQUHKHCKFC-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@@H]1C[C@H]1C1CC1	712927843	TYNRNIGHKXBGBX-BJJXKVORSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CC(C)(C)C(C)C	713143567	WSMIFDGOCKVIQR-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)c1c(C)cccc1C	713168106	MRXMFHWZRMSUFI-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CC(C)=C(C)CC[C@H](C)[C@@H](C)CNC(C)(C)C	718491898	GREAYFAWWYLJNR-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CC(C)=C(C)CCCc1ccccc1C	718756821	WPTPUCMHGGUFGR-UHFFFAOYSA-N	202.341	4.674	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CCC(C)CC1	719176059	GJOOHRYBDFLJBB-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
C[C@H](N[C@@H]1CCCCCC1(C)C)C1CCCC1	719283502	DKGYRLGPQGWSIR-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccccc1C1CCC1	721706660	URFATIZJCYFJOM-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCC1CCC(N[C@H](C2CCCC2)C2CC2)CC1	723961548	WSUMMXKJKUDERN-QWFMPGPPSA-N	249.442	4.514	0	10	BJAE	
C=C/C=C\CCSCc1ccccc1C1CC1	1189146245	QLGJZIUWKCWEKV-ARJAWSKDSA-N	244.403	4.930	0	10	BJAE	
[C-]#[N+]c1ccccc1-c1ccc(C(F)(F)F)cc1	1536116424	VSBZQRRSYQHIRL-UHFFFAOYSA-N	247.219	4.923	0	10	BJAE	
CC(C)(C)c1ccc(-c2cccc(F)c2F)cc1	1848365143	ZYZMNDYCZWPXLJ-UHFFFAOYSA-N	246.300	4.929	0	10	BJAE	
C1=C[C@H](CC[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	1901143719	KTEKJXSNOWNGFF-VGWMRTNUSA-N	218.384	4.949	0	10	BJAE	
CCC[C@H](C(=O)[C@H](C)[C@@H](C)C(C)C)C(C)C	1901721434	SUQNDOXXTHEORS-MJBXVCDLSA-N	226.404	4.556	0	10	BJAE	
Cc1nc(CCCC2=CCCCC2)sc1C	1901964773	OVIWOTBRXZZZMG-UHFFFAOYSA-N	235.396	4.583	0	10	BJAE	
CCCC[C@H](CC[C@H](CC)CCC)NCC	1905455242	YSPPYJATHYUNJT-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1CC2(CCCCC2)C1	1912628072	GZOBPFPFFIIAEY-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C(C1CCC1)C1CCC1	1921429277	OJINCKQJBIBPOG-AWEZNQCLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@@H](C)C1CCCCC1	1924147503	FXLQDILDYMERNM-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](CC1(C)CCCCC1)NC	1940413002	BIYJPUGXXYNABY-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(O)CCCC1(C)CC1	1940870527	UNHDZTQQDYYXRO-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC(=O)CCC1CCC(C(C)(C)C)CC1	1941156235	KCXLHXUATPZRQG-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C(=O)C[C@H](C)C1CCCCC1)C(C)C	1941267272	PVSNWZVHIMTSSJ-ZFWWWQNUSA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)[C@@H](CC(C)C)C(C)C	1942661149	VQKMWBRNJMHCLU-JYJNAYRXSA-N	241.463	4.704	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](F)[C@@H](CN)CC(C)C	1945814440	KSXNIKZFTVTNHQ-RRFJBIMHSA-N	245.426	4.552	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCCCC1(F)F	1946993350	ZBMIGNONBZVPSW-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@H](CC(C)(C)F)[C@H](C)CCC(C)C	1947086979	HUTOUVQAFGQBKM-ZIAGYGMSSA-N	245.426	4.565	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCC)C1CC(C)(C)C1	1948155287	KLCPVIXAQNISLZ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](N)[C@H]2CCCC[C@@H]2CC)CCC1	1948926650	DYBOWOYGXUAFPF-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CCC1=CCCCC1)C1CCCC1	1949041911	UXLIAGQUUQETMC-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@@]1(CNC2CC2)CCC[C@@H](C)CC1	1950929030	DAGWRDVOGGAVJV-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCC=CC[C@H](C)c1cccc(C)c1C	1951288104	HJBHWFVIUWDZPA-ZDUSSCGKSA-N	202.341	4.763	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2CC(C3CCCCC3)C2)C1	1965989659	NQPDKGMALKWULZ-AKBUMOGYSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(F)c(NC2CC3(C2)CC(C)(C)C3)c1	1968342293	WXUMQRBHAHGGID-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1CCC2(CCC2)C1	1970302522	KKIGFGVJBYLXHB-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCC(C)(C)CN[C@H](CC)c1cccc(C)c1	1973163994	MXMSNSZKVNXMAV-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCCC(C)(C)CN[C@@H](CC)C[C@H](C)CC	1973170407	LHNQNDHZHADTRU-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(=O)[C@@H]1CC	1984361872	MLECDUBABXEUSQ-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CC[C@@H](C)CCC1=O	1984462979	VGVYJZWULLRTOB-OCCSQVGLSA-N	222.372	4.518	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C(C)=C(C)C	1989668827	MWZCHSMRIDHTSA-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H](C)c1csc([C@@H]2C[C@@H]3CC[C@@H]3C2)n1	1992832884	UOJGBLKTQKSSFW-WYUUTHIRSA-N	235.396	4.560	0	10	BJAE	
Fc1c(Cl)ccc2c(C3CCCC3)coc12	1995498267	MPKNWCGILZLJOJ-UHFFFAOYSA-N	238.689	4.883	0	10	BJAE	
CCCSc1ccccc1N[C@@H]1CCC1(C)C	1996572719	GMGWDSKLJRYLPT-CQSZACIVSA-N	249.423	4.789	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@@H]1CCCC(C)(C)C1	2000255225	NCZNSPHISVBPAA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CN)CC1C[C@H](C)C[C@@H](C)C1	2000483282	LKSWXBMKJJGCRH-FMKPAKJESA-N	239.447	4.604	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@@H]1CCC[C@@H]1C	2000506478	BCQSHUXFDKZGCR-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@@H]1CCC12CCC2	2001845952	YQGYALQOWYKGCZ-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002200406	ZSTPRLGLWOUJLF-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@](C)(N)[C@H]1CCCC(C)(C)C1	2003012738	BWHQCPJDQRMLHW-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@@H]1CC=CCC1	2003074003	GKAGVYCKQGHIHX-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
CN[C@@H]1CCCCCC[C@@H]1C[C@H](C)CC(C)C	2003097062	COOJFGLJSIZSLN-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC(C=C(CC)CNC(C)(C)C)CCC	2004724587	CIWXCABEWPUFFZ-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)C1(C)CCC2(CC2)CC1	2007691564	MUZKNPLQSKMFEZ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)C1(C)CCC(C)CC1	2007697309	OTZRTNFXELXVDC-PWUWZPNHSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C1=CCC(C)(C)CC1	2010745135	XQMSXNJHEYAGSY-BBRMVZONSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](NC)CC2(CCC2)C1	2012066216	YCBWFBLYEMWVNS-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)NC1CC(CC(C)(C)C)C1	2014658594	SGULWEVWOUDCJY-NFOMZHRRSA-N	239.447	4.616	0	10	BJAE	
CC(C)C(CCNc1ccc(F)cc1)C(C)C	2015361662	XNUPNLFZRCABHL-UHFFFAOYSA-N	237.362	4.556	0	10	BJAE	
CCCC[C@H](CCC(C(C)C)C(C)C)NCC	2015399627	OJKVFZIOEJFCMC-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCCC1(C[C@@H]2C[C@H](CC)CCC2=O)CCC1	2015596005	PCZRIXGIVNJJTM-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@@H](O)C(CC)(CC)CC)CCC1	2015632415	CPAHTRFFPNZXRN-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@@H]1C1CCC1	2017045803	IIJGQLUXEHLEMU-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)NCC1(C(C)(C)C)CCC1	2017136595	LMESHQZRJLSEIC-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(C[C@](C)(O)CC2CCC2)CC1	2017649413	VKFCHJJWUXZVJU-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(NC[C@H]2CC[C@H](C)CC2)c(C)c1	2017720644	HXSVRVOLHVLHRD-NNUKFRKNSA-N	231.383	4.542	0	10	BJAE	
CC(C)(CNC(C)(C)C)C[C@H]1CC[C@H](C)CC1	2017722292	FFLIAMLGMKJOOV-HDJSIYSDSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(CC1CCC(CC)CC1)C1CC1	2017728041	GYPMBWRXIFJFQF-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2CC(N)(CC)C2)CC1	2017738935	QGWVBRNUUFWRDB-MSBXVQKDSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1CC[C@H](C)[C@@H](C)C1	2018132900	YDUVLPIMZMGWRS-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1CC12CCCC2	2018135924	FNHRFMUMEACNLM-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCc1ccccc1N[C@H]1C=CCCCC1	2019496751	VLBPLMWTQPKCHG-HNNXBMFYSA-N	229.367	4.550	0	10	BJAE	
CCCCCCC(=O)[C@H]1C[C@H]1C1CCCCC1	2022417052	IVRIPTGTXUQWRE-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
Cc1cscc1NC[C@H]1C[C@@H]1C1CCCCC1	2022488789	FHLLTQBFUHEAFH-ZIAGYGMSSA-N	249.423	4.685	0	10	BJAE	
C[C@H](CCCN)CC1CC(C)(C)CC(C)(C)C1	2024095395	QZFZGZYLDABYKZ-CYBMUJFWSA-N	239.447	4.604	0	10	BJAE	
CSc1cccc(N[C@@H]2CC[C@H](C(C)C)C2)c1	2025575274	SYQXCVIKJBCDLA-GXTWGEPZSA-N	249.423	4.645	0	10	BJAE	
CC1(C)CCCC[C@@H]1c1nc(CC2CC2)cs1	2026539223	AJCRZNRWDVZHEF-CYBMUJFWSA-N	249.423	4.779	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2nc(CC3CC3)cs2)C1	2026540894	BHDKJYLNYYYXNL-YPMHNXCESA-N	249.423	4.779	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N(C)[C@H](C)c2ccccc2)C1	2027033804	MLAZELUIXNJDTJ-DLTWYDFYSA-N	245.410	4.504	0	10	BJAE	
CN(CCC1CCCC1)[C@@H]1CCC12CCCCC2	2027645535	KNNCKWPXUYZYFD-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](C(=O)c1cc2cccc(C)c2o1)C(C)C	2028259251	YULHPVCYLJOQGW-ZDUSSCGKSA-N	244.334	4.606	0	10	BJAE	
Cc1ccc([C@H](N)[C@H](CC(C)C)C(C)C)cc1C	2028263521	MVJMXUUEWPWBTD-SJORKVTESA-N	247.426	4.622	0	10	BJAE	
Cc1ccc(C(=O)CC2CCC=CCC2)c(C)c1	2028873309	XOQKIRTXJUXBIC-UHFFFAOYSA-N	242.362	4.623	0	10	BJAE	
CC(=C[C@@H]1C[C@@H](C)C[C@@H](C)C1)C[C@H]1CCCCN1	2031822336	ZYCUSCGYVUOFND-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@@]12CCCC[C@H]1CCC2	2031847335	ZXPMASDZCWQRGA-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H]1CC12CCC2	2032141205	JKLAQOKKTPEPOG-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@]1([C@H]2CC2(C)C)CCC=CCCC1	2033628697	FLLSVADBEBKSEC-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
C[C@H](CN[C@@H]1CCCC2(CCCC2)C1)C1CCC1	2034361756	DKGGKCRGXASOII-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H]1CCC2(CCCC2)C1	2036771258	MQLDVPXZFVOMIO-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
C[C@H](C=C1CCCC[C@]12CCNC2)CC(C)(C)C	2038649917	PHKVQWPTIYOBPP-RHSMWYFYSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2C=CCCCC2)CC1	2039378187	XEEBUJBSOIKHEG-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CCc1ccccc1NC[C@H]1C(C)=CCC[C@H]1C	2039448881	WBNXBLRVVXCXOL-ZBFHGGJFSA-N	243.394	4.653	0	10	BJAE	
c1cc(NCC23CCC(CC2)C3)cc(C2CC2)c1	2041249575	SSXQUQBIFJLIPH-UHFFFAOYSA-N	241.378	4.556	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@@]2(C)CCCC2(C)C)C1	2041727951	FTQCESDGFVRJPV-QRTARXTBSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC([C@@H](NC)[C@@]2(C)CC=CCC2)CC1	2042026766	HLAPGFXUJBOULG-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@@]23CCCC[C@@H]2C3)C1	2043001667	TXRVTAJMLVNZRJ-NHMAURGWSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC([C@@H](N)C[C@H]2CCC=CCCC2)C1	2045329070	KWIYFTDTCBVEIZ-SOEBMCCKSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](CC[C@H](O)c2ccccc2)C1	2045365473	QTIZZVZTRAWDSJ-HOCLYGCPSA-N	246.394	4.717	0	10	BJAE	
Cc1cc(C)cc([C@H](O)[C@@H]2CCCC(C)(C)C2)c1	2045369096	ZFEOVSVJSIPCQC-GDBMZVCRSA-N	246.394	4.553	0	10	BJAE	
C[C@@H]1C[C@@H]1c1ccc(C(=O)CCCC2CCC2)o1	2045562071	NNQYGIJPRCBCEI-YPMHNXCESA-N	246.350	4.556	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1C(C)=CCC[C@H]1C	2045741125	OEDANJVNYOGCFQ-ZACQAIPSSA-N	249.442	4.703	0	10	BJAE	
C1=C[C@H](NC2CC3(CCCCCC3)C2)CCCC1	2046233607	QEULGBKEFRZFQC-HNNXBMFYSA-N	247.426	4.578	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@H]1CC12CCCC2	2047031670	ZHZPMRXDIFVPTJ-DZKIICNBSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@H]1CC12CCCCC2	2047059126	NQHZULWKPUGHHT-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1([C@H](N)CC2[C@H]3CCCCC[C@H]23)CCCCC1	2048454218	RUZMYKAXAHMHCH-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NC[C@H]1CCC2(CC2)C1	2049845126	HFQUXZXHGKVJRF-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)CC1CCC2(CC1)CC2	2049863588	ZWBNJUHLENHQEX-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CC[C@@H]3CC[C@H]32)CC1	2051588375	GLNKSPLRGOSMEF-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)CNc1ccc(OCC)cc1	2052172309	IDHNKVQCFWUIJI-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@@H]1CCCCC12CC2	2053415225	GSGJSXCKEOBOOB-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)[C@H]1CCCCC12CC2	2053416001	NRISDLPYLUEPMP-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC[C@H](CNc2ccc(CF)cc2)C1	2055678291	ODEWASKYGOLDCO-AWEZNQCLSA-N	249.373	4.784	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2C=CCCCC2)C1	2059490583	VINXPFNSSKUFOP-KLAILNCOSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)C1(CC)CCC1	2061147860	QOQIFNMOEZGJGF-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)C1CC(=C2CC2)C1	2061638619	BHPQLSSTJPOEAQ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1CC(=C2CC2)C1)C(CC)CC	2061726789	UJCLCVJUQZZTHR-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@H](N)CC2CC(=C3CCC3)C2)CCC1	2061740516	ZPORPSJCNOUWNF-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063490194	IZXUFGASROCJJN-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1CCCC1)C12CCCC1CCC2	2063831803	YVZQLURZKYDVCJ-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C23CCCC2CCC3)C1	2063852514	PDWJBZCJFMXEPU-FHEYDISPSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)NC1C[C@@H]2CC=CC[C@H]2C1	2065989894	IMEDNTZREMUOIL-HRCADAONSA-N	249.442	4.536	0	10	BJAE	
CC(C)c1ccc(OCC2C[C@@H]3CC[C@H]3C2)cc1	2068698271	ITTIVGWUWCBLOD-HOTGVXAUSA-N	244.378	4.625	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2068701423	DKNWZYZUJNAAQY-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@@H](N)CCC(C(C)C)C(C)C)cc1	2068995897	SWDSOTYFMVNFDZ-KRWDZBQOSA-N	247.426	4.703	0	10	BJAE	
CC[C@H](C)n1ncc(Cl)c1C1CCCCC1	2069850177	HFSNGKPPTDMOAZ-JTQLQIEISA-N	240.778	4.555	0	10	BJAE	
CCC1CCC([C@@](C)(N)C[C@]23CCC[C@H]2C3)CC1	2070925809	JPMUVFHQRFISNQ-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@H]2CC23CCCC3)CCC1	2071932418	IOXXNXNCQBSHOD-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@@]23CCCC[C@@H]2C3)CC1	2072797184	WYAWNDBNQYGWBW-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@H](NC)[C@@]2(C)C=CCC2)CC1	2072807746	ZFRZSGVDAGLXQJ-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(C)c(OC)c1C	2072833709	VGVBVWKSPBEDMU-ZDUSSCGKSA-N	249.398	4.549	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2CC[C@@H]3C[C@H]32)CC1	2072879823	XBPRAYQTKNKMKY-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@@]23CCCC[C@H]2C3)C1	2074089560	DOSRFOZYJWQOBP-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
C[C@H](CCC1CC1)N(C)[C@@H]1CCC12CCCCC2	2075007215	UHBPDGAHAKQPIS-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1c(C)coc1CC	2077186558	CSAPJWZVURAPQY-INIZCTEOSA-N	249.398	4.547	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H](CC)c1ccccc1	2077189981	NKSCGKMTPBLONQ-IRXDYDNUSA-N	245.410	4.515	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CC[C@H]2C2CC2)c1	2077262709	DFNRNJKMARXMSS-DOTOQJQBSA-N	241.378	4.555	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1ccc([C@H](C)CC)cc1	2079476631	RLPZLGVQLZCCLR-WQVCFCJDSA-N	244.378	4.819	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H]1C1CCCCC1	2079529251	LIMAXZOOFSRQJE-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN[C@@H]1CCCC2(CCCC2)C1	2079651385	QAOCVVORXWMWHK-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@@H](N)[C@H]2C[C@H]2C2CCCCC2)CCC1	2079830494	BTOMWMBDUARNJZ-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC=C1CCC1)CC1CCCCC1	2080240408	ITMSCWFMAGSOBR-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCCC[C@](N)(CC)c1scc(C)c1C	2210562287	GCDPICRYMOHWBH-CQSZACIVSA-N	239.428	4.509	0	10	BJAE	
CC[C@@](O)(CCCCCCC1CC1)C1CCC1	2213575152	CEYFTUVEKUCCJT-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CCCCC1CC1)CCC(C)(C)C	2214578131	DOSDWIZWROLSOL-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C1CCC(F)(F)CC1)n1ccc(C)c1	2214626534	OCKXBHYBZUHOFK-CYBMUJFWSA-N	241.325	4.573	0	10	BJAE	
C[C@H]1CC[C@H]1CC1(N)CCCCCCCCC1	2215085961	VKAJFWRYMZSDOF-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)c1cc(C)sc1C	2215459885	XJLNNTUPLYPAOU-QMTHXVAHSA-N	248.391	4.540	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC1(C)CC2(CCC2)C1	2215466104	MNYSRYIXOZZGAJ-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCC/C=C/CN[C@H]1CCC[C@@H](C(C)(C)C)C1	2216252217	ISIJLSKCEKHAMU-PEGRTIRESA-N	237.431	4.537	0	10	BJAE	
CC[C@H](NCCCCCCCC1CC1)C1CC1	2216863162	NSGUCMMRMOPFRX-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@]1(N)CCCCCCCC1CC1	2216883639	MMWCLDVUAKTXQD-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1C=CCCCC1	2217241320	OPGTUEWONPEGBD-AWEZNQCLSA-N	249.785	4.813	0	10	BJAE	
N[C@@H]1CCCC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218365176	KZBXZQVWPRRRMS-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1C[C@@H]1C1CCCC1	2218728756	XJGKLNVPRGDQQI-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@H]1CCC2(CC2)C1	2220029690	DRURQODMUJRJJG-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@@H]1CC12CCCCC2)C1CCCCC1	2220306590	YEOMGCCENVSKLY-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCCC1(Nc2ccnc(C(C)C)c2)CCCC1	2220902955	UTESCFFWLXAXJE-UHFFFAOYSA-N	246.398	4.730	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@H]2C[C@@H]3CCCC[C@H]32)C1	2221083379	IQLWRBIQPTUKQK-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@H](CN[C@@H](C)C2CCC(C)CC2)CC1	2221620080	WIUHDWCXOOSEGF-YZUHTNEWSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CC1(C)CC(C)C1	2246451694	YXFKSMMEVUYNAV-BHDPWAOGSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(CCCC[C@H]1C[C@H]1C)C(C)(C)C	2247114923	TXTQDAGPJKQJCU-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CC(C)C1(C(=O)CCCC[C@H]2C[C@H]2C)CCC1	2247159460	NIFZASGGVFOQTH-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H]1Nc1cccc(C(C)(C)C)c1	2249256984	AIRQRLFFLUGYAS-WFASDCNBSA-N	231.383	4.585	0	10	BJAE	
C[C@H]1CC[C@H](Nc2cccc(C(C)(C)C)c2)C1	2249304702	WGBQKMJTQQHVBH-WFASDCNBSA-N	231.383	4.585	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@]12CCC[C@@H]1CC2	2251198166	VEDFPQMGEAYWMN-PMPSAXMXSA-N	237.431	4.502	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@]12CCC[C@H]1CC2	2251203764	MLJFJMUKAUUVPZ-DVOMOZLQSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CC(C)(C)CCC1(C)C	2251677809	ISKVQZRZYFLGJN-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)c1ccc2ccsc2c1)C1CCC1	2253091375	HDRKCUCXWLYEQF-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
CC1CC(C)(C[C@H]2C[C@H](C)c3ccccc3N2)C1	2253752209	LSDNNNIPNCAKCF-YRTQGLMCSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CC[C@H](NCC[C@H]2CCCCC23CC3)C1	2253890217	PMJDNUMPPAQPJW-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1OCC[C@@H]1CCC[C@@H](C)C1	2253938947	PDDMKRPFDLPKNJ-CABCVRRESA-N	246.394	4.844	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)C2(C3CCC3)CC2)C1	2254000367	DJZRHMWGVDJOMA-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN[C@H]1CCC2(CCCC2)C1	2254518186	VEIRISAHWQLWDK-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)[C@]12CCCC[C@H]1CCC2	2254947440	USQZFOYRLXAMRB-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@H](C)C1CCC1	2255137648	PWXJCWQRZSHZOQ-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)CCC(N)(CC2=CCCCC2)CC1	2255142434	UIQKYFPLAJTHCT-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H]1CCCC1(C)C	2255143523	YRASECQXSGDBJY-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@](N)(CC[C@@H]1CCCC12CC2)CC1CCCC1	2255328427	FYJNLCANXUGEGT-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCc1ccc(NCC[C@H]2CCCC23CC3)cc1	2255332117	OTMPKYUHSOAXAG-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1CC[C@H]2C[C@H]2C1	2257313233	CMGUGUOCJDHFCO-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1=CCCCC1)[C@@]12CCCC[C@@H]1CC2	2260508797	RKRZWKNRNROFEU-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CC(C)NCC1(C[C@@]23CCC[C@@H]2CC3)CCCC1	2260684735	MYAXHACNZFLTDH-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
Cc1coc(C(=O)CC2CC(CC(C)(C)C)C2)c1	2261263420	HSWJWKKVWYZRDR-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](NCC2(C)CC=CC2)C1	2261402559	NHZMZTCBZCWDKI-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC1CC(CCC(=O)C[C@]23CCCC[C@@H]2CC3)C1	2261503179	HIEIXQZVVMLHSN-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CCC[C@H](CC)C1	2300675755	HVDFIPNIOFBMQS-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCCC(F)F)CCC(CC)CC	2300676173	LUOUONPMOVAABL-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCN[C@H]1C[C@@H](CC=C(C)CC)CC(C)(C)C1	2300897460	SPSVIILURBBNHW-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C)[C@H](C)C(C)C	2301825856	ONXOOSYYJQDCPA-BARDWOONSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C[C@@H](C)[C@H](C)C(C)C)NCCC	2301833811	ULMUFSLCUOLOPK-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCC[C@@H]2C[C@H]12	2302908958	ZIKDFHRKJGFCPH-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CC[C@@H]1C(C)(C)C	2303443551	VQLRLJAWXKAZIF-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCCNC[C@@]1([C@H](C)CC)CCC(C)=C(C)C1	2303581853	CKQXFZJYRNPDKY-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@H]1CCC(C)=C(C)C1	2303584577	QWAJFVVYBNKQQV-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
Cc1sccc1OCc1ccccc1C1CC1	2307194109	RRDDIKIMLBUUMZ-UHFFFAOYSA-N	244.359	4.513	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)C(C(C)C)C(C)C	2307836176	WTALBZPUPQGEGY-ZBFHGGJFSA-N	242.447	4.882	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C[C@H]1CC1(C)C)NCC	2307898760	MOSQFXKHAMBTFH-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](N)c1ccc(C)cc1	2307907518	CRGQQEWZTFUPQU-GDBMZVCRSA-N	233.399	4.601	0	10	BJAE	
C[C@H]1CC(C(=O)C[C@@]23CCCC[C@@H]2C3)C[C@H](C)C1	2311163696	QWACQSFJGDOOIC-SMKXDYDZSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCC1	2311607472	OUVNTXDKAWDPLH-QSPRXWTASA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H](N)C[C@H]1CCCCC12CC2	2313705351	SIXHUHKPOMCEAA-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@@H](N)CC2CCCCC2)ccc1C	2314694279	JNRUJKGLEQCJQJ-KRWDZBQOSA-N	245.410	4.528	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC(CC1CC1)CC1CC1	2315425563	ZBOHQEQSJLGMEY-CQSZACIVSA-N	249.442	4.680	0	10	BJAE	
CCC(C)=CC[C@]1(CNC2CC2)CCCC[C@@H]1C	2316488886	CVVKHBACKVQNGI-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(=CCN[C@H]1CC[C@@H]1C1CC1)CCCC(C)C	2316490530	NWOLAKMPHZMMST-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C[C@@H]1C[C@H]2CC[C@H]1C2	2316504633	XBGMFAUMLAHFQV-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
c1cn(CC2CCCCCC2)c(C2CCCC2)n1	2316886704	XZQWZZLKRIFAJI-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cc(F)ccc1C(C)C	2317914732	FVGTUHTUIQYZRC-SWLSCSKDSA-N	249.373	4.940	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)CCCC1=CCCCC1	2318566114	UCBJXXJDEXOJBV-VYDXJSESSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@H]2CC3CC2C3)cc1	2318960718	OWARJXATFBDPTK-FKFRUQKQSA-N	243.394	4.658	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(CN)CCCC23CCC3)C1	2319040450	XGUYVGAQNRUITM-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CC1=C(C)C[C@@](N)(CC2(C(C)(C)C)CCC2)CC1	2320266684	WYVDPPBHCFMCAF-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@H]2CCCCC23CC3)C1	2321599167	IJVPARQXBAMJFH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)CN1C[C@H](C)[C@H]1c1ccccc1	2328083630	NYQSWKYTJNPYPB-ZOBUZTSGSA-N	245.410	4.506	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)CCC)c1ccccc1	2328280609	BHBSAFLLCTZJCT-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CC[C@@H](N[C@@H](C)CCC(C)C)c1ccc(C)cc1	19982557	WHDFVRBSMBWMFO-DOTOQJQBSA-N	247.426	4.860	0	10	BJAE	
CCCC1CCC(Nc2ccccc2F)CC1	20021752	GZXLRPYVYBNJSU-UHFFFAOYSA-N	235.346	4.597	0	10	BJAE	
CCC1CCC(Nc2cccc(SC)c2)CC1	21034918	MUMVXKYJPLGZPE-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CCCCCC[C@@H](C)NC1CCC(CC)CC1	34995356	WKJQOCJVIVZKJF-QQFBHYJXSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccccc1SC	36957108	YPZVBHMXZCVIST-GFCCVEGCSA-N	237.412	4.789	0	10	BJAE	
CC[C@@H](Nc1ccccc1C(C)C)C(C)C	37198076	TUPHZFIZDDMMJO-CQSZACIVSA-N	219.372	4.657	0	10	BJAE	
Fc1ccc(N[C@H]2CC[C@H]3CCCC[C@@H]3C2)cc1	37210591	IDWHVVXMTZEXCL-IOASZLSFSA-N	247.357	4.597	0	10	BJAE	
CCCN[C@H](c1ccc(C)s1)C(C)(C)CC	54402856	GWGBOVOCJDOPJI-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](CCC)CCC1=O	71083872	FFUPTYJDQVYKOC-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@@H](C)[C@H](C)C2)c(C)c1	84986915	PWJQBCFMLJMDGA-XJKCOSOUSA-N	245.410	4.848	0	10	BJAE	
CCC1CCC(CC[C@H](O)c2ccccc2)CC1	85083085	OGIMKDMTSOFAEG-DQPZFDDXSA-N	246.394	4.717	0	10	BJAE	
CCC1(CC)CC(N)(c2ccc(C(C)C)cc2)C1	86521235	USCTXQSFSCTUPC-UHFFFAOYSA-N	245.410	4.564	0	10	BJAE	
CCCC1CCC(CN)(C[C@H](C)CCC)CC1	87960830	HCUGZNZQPNHTHF-QQFBHYJXSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C1CCC(C(C)C)CC1	87965136	MYTDVXVNHMGVDA-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCCCC2(C)C)c1	94274266	BQQGPWLUAFEHFA-OAHLLOKOSA-N	231.383	4.684	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H]1CCC[C@H](C)C1	94676451	MXZYFXZBFOQBEI-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CC/C=C\C[C@@H](CCC)c1ccccc1O	107554716	HURZHIJFONLHBO-CFHLNLSMSA-N	218.340	4.632	0	10	BJAE	
CCCCC[C@H](O)c1ccc([C@H](C)CC)cc1	109785595	HVENFZIQALEFGF-CJNGLKHVSA-N	234.383	4.814	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C1=CCCCC1	110229263	LINYQMJCPNVWFM-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@@H](C)CCC(C)C	128650120	DXQDWOBBJHRRCQ-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
CC1CCC(c2ncc(C(C)C)s2)CC1	132156916	XNRNLJCYGNFDRL-UHFFFAOYSA-N	223.385	4.560	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)c1cccc(C)c1C	163481393	AFAODGBTPPBXKN-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
Clc1csc(-c2cccc3ccccc23)n1	165396589	WQISHLCNGJPLAR-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CC(C)CCCC1(CNC(C)(C)C)CCCC1	166076288	SWGDJFQSPXPMGR-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCCc1ccc([C@H](C[C@@H](C)CC)NC)cc1	167242934	IMVNRRFFTAKCRM-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CC(=O)c1ccc(SCC2CCCCC2)cc1	203512641	RHEOIEZGOHOSEF-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCC[C@@H](C)C2)c(C)c1	216543823	FVZYLHBUNNBNRB-WQVCFCJDSA-N	245.410	4.533	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cccc(Cl)c1C	220551128	JARRGQLUKXSOHR-IINYFYTJSA-N	240.774	4.508	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cccc(F)c2N)cc1	232138416	NCHLHXVJULEVEF-NSHDSACASA-N	243.325	4.588	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)C1=CCCCCCC1	234065831	RYLCXIKDIUOJOJ-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1CCC[C@H](C)C1	251244547	AKPVOUKIENGTCX-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)C[C@@]1(O)CCCC[C@H]1c1ccccc1	251671466	CNBAJRUZILXHJF-XIRDDKMYSA-N	246.394	4.512	0	10	BJAE	
CCC1([C@H](C[C@@H](C)CC(C)C)NC)CCCC1	302281677	FGRQUQXWICYTHE-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]([C@@H](O)c1ccccc1C1CCC1)C(C)(C)C	302509463	YPTNNMJXNUOCIN-BLLLJJGKSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CCC1CCCC1	304187361	SQACNMCKRHRKDL-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1ccc(C(C)C)cc1	308012684	CNQBZVCQNDZUDS-PBHICJAKSA-N	248.410	4.916	0	10	BJAE	
Cc1cccc(N[C@@H]2C=CCCCCC2)c1Cl	310073364	QBISKZRCJIGHRD-CYBMUJFWSA-N	249.785	4.949	0	10	BJAE	
C[C@@H]1CCc2cc(CCCC(C)(C)C)ccc2N1	310574871	ISCXFXKUFHYLAW-CYBMUJFWSA-N	245.410	4.802	0	10	BJAE	
CCCOc1cccc(NC[C@@H](C)C(C)(C)C)c1	310641581	BREFBENYMXEGFF-CYBMUJFWSA-N	249.398	4.570	0	10	BJAE	
CCc1ccccc1[C@@H](O)C1CCCCCCC1	310828290	JNFVSUNRKYLHTG-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CCC(CC)[C@]1(CNC(C)(C)C)CC[C@H](C)C1	317846879	NODDXDJSOLAPPH-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1ccccc1C)[C@H](C)[C@H](C)CC	318861485	JPYUESLHDDMNSX-UNEWFSDZSA-N	247.426	4.718	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@H](C)c2ccccc2)C1	384286360	CVJZNZQSIMMLOV-ZMSDIMECSA-N	246.394	4.512	0	10	BJAE	
CC1CCC(CC2(CNC3CC3)CCCC2)CC1	386188975	JRAGUVNXDHUCTM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H]1C[C@@H]1CC(C)C	387959374	CYPGUMJIWULULN-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)CNCCC(C)(C)C1CC1	392832441	FZHUNOPIMSROKE-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](NCC1(CC)CCC1)C1CCCCC1	393828858	JOKCTCQKCTZQAE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1([C@H]2NC[C@@H]2C2CCCCC2)CCCCCC1	394654028	AQPJGMTWEAMTOO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@]1(CC2(C)CCCCC2)CCCN1	394672310	OQJROJXMDMOVGR-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(C(=O)CCCCCC(C)C)o1	394804314	GXSCCDMOTVQZMX-UHFFFAOYSA-N	236.355	4.631	0	10	BJAE	
CCC(CC)(CC)CNc1cc(C)cc(C)c1	395109231	AIWJGTWSDVWLPK-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CCc1cc(S)c2sc(C(F)F)cc2c1	396238131	JCBOAYYPKBGVGX-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
COc1cccc2c(Cl)c(C(F)F)sc12	396293444	VSEMXSRKVCIGRQ-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1cc2cc(F)cc(C(F)(F)F)c2s1	396304843	VWUKHIWFXTXRCV-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1ccc2sc(C)cc2c1C(F)(F)F	396307075	QVRQBLIPXXNRMG-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1c(C(F)(F)F)ccc2scc(S)c12	396312385	XAMZSMZUENVFDS-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
Clc1ccc(NCC2=CCCC2)c(Cl)c1	401154886	GGDOKAVMEDGQTA-UHFFFAOYSA-N	242.149	4.516	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@@H](C)CC(C)(C)C	575358171	FWTSBHHXUPDVDV-GFCCVEGCSA-N	246.394	4.949	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1(CC)CCC1	687585140	MIHNZJXGRILSHK-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@H](C[C@@H](C)CC(F)F)NCC	688800613	RYOAMYCYWLQQHB-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
C/C(=C\Cl)CNc1cccc(C2CCC2)c1	690124401	DDTUGHABLRESEV-PKNBQFBNSA-N	235.758	4.509	0	10	BJAE	
CC[C@H](N[C@@H](C)C(C)(C)CC)c1ccccc1	695136381	QLLMXXBLTIPUNR-ZFWWWQNUSA-N	233.399	4.552	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CNC)CCCC[C@@H]1C	696800734	DRSGATFBDBESHX-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)[C@H](N)C1CCCCCCC1	701118320	LNRYYVSRALWGDO-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](NC)C(C)(CC)CC	701243969	NSILICPNBQAGNM-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C(=O)C(C)(C)CC)c1ccccc1	701330548	ZWHSDMPEDNCHBS-DZGCQCFKSA-N	246.394	4.822	0	10	BJAE	
C[C@@H](C[C@@](C)(N)CC(C)(C)C)C1CCCCC1	704890809	QCFVPWURHNXDEC-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@](O)(C1CCC1)C1CC1	705310643	NBJRCRDBNUIWTC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@](N)(CCC)C1CC1	705366262	JZJKKEHEEOHWEU-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1C[C@@H](C)CC(C)(C)C1	708251490	ALNBJQQUPRFBLI-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C(=O)[C@@H](C)CC(C)(C)C)CC1	709262519	OXXNJSKANMVLTR-HSBZDZAISA-N	238.415	4.844	0	10	BJAE	
C[C@@H](C[C@H]1Cc2ccccc2C1=O)CC(C)(C)C	709277291	XGKTVJCITOLXIU-JSGCOSHPSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@H](NCCC)C12CCC(CC1)CC2	710264791	ZMUJDMANQJKYKC-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C23CCC(CC2)CC3)C1	710324810	XDPAIQKXJMERCX-MVSUIGJRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(C(=O)C23CCC(CC2)CC3)C[C@@H](C)C1	710324812	XDPAIQKXJMERCX-YRFCHQJDSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H](C[C@@H](C)C(C)(C)C)C1	710753700	NNRSPXLAVUQIHK-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@H]2CCCC[C@@H]21	712359750	ILJKRAIJHBARLM-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)c1cccc(C2CC2)c1	713169731	FIXUFILFLLQDJM-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@]1(C)CC[C@@H](C)C1(C)C	713216886	HVLKPENGOFTSCD-WWGRRREGSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1(C)CCCCC1	713351972	VEHCXIJEQVGSAY-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)C1CCCCCC1	713744043	ICXCCSKBKOFVFV-KEGWNNHHSA-N	249.442	4.847	0	10	BJAE	
CCN[C@H]1CC(C)(C)CC[C@@H]1CCC(C)(C)C	717532913	MPEQBSRFPPTITM-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CC[C@H]2CCCC[C@@H]2C1	723617235	ZIKGLEGOPWZEIT-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CS[C@H](C)CCc1ccccc1	1165831971	BWWRZIJBEXMABC-UONOGXRCSA-N	236.424	4.787	0	10	BJAE	
CN(CCC1CCCCCC1)c1ccccc1F	1657766372	GRANQFFZHMOROQ-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
C[C@H](CC1CC1)n1ccc2cc(Cl)ccc21	1899375141	JEWOQZUOHZCYNF-SNVBAGLBSA-N	233.742	4.656	0	10	BJAE	
CCC(C)=CCCC(=O)c1ccccc1Cl	1900867839	BRDKJPCDERKYDS-UHFFFAOYSA-N	236.742	4.659	0	10	BJAE	
Cc1cc(Cl)cc(O[C@@H](C)[C@H](C)C(C)C)c1	1901616757	KKRHQIAENDBLMG-NEPJUHHUSA-N	240.774	4.708	0	10	BJAE	
CCCCC[C@@H](O)CC[C@H]1CCC(C)(C)C1	1903370965	WLFSCHPPEDQIDW-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCCC(=O)CCCC[C@H]1CCC(C)(C)C1	1903414320	BBZLONAQHQMCIN-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC=C(CC)c1cc(Cl)c(O)c(Cl)c1	1904834584	BXGPHVCHSVIXGB-UHFFFAOYSA-N	231.122	4.512	0	10	BJAE	
CC(C)CCCCCN(C)CCC[C@@H]1C[C@@H]1C	1909997344	KEHGUUYFQGYUQS-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
C=CC=CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NC	1912050320	ZFSVSKQXQOMZPB-XHSDSOJGSA-N	249.442	4.559	0	10	BJAE	
CCC(C)(C)CCC(C)=CCCNC(C)(C)C	1912129699	KCVOGLZGRMNABK-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C1CC2(CCCCC2)C1	1912634255	LEBGDFJUGYXYQN-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1CC1CC=CC1	1913424266	RNLWCEOFBRVNKR-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H]1CCCCCCCC[C@@H]1O	1913430271	JVBGNHLDQNBZLT-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCC3(CCCC3)C2)[C@@H]1C	1916440905	FQEQCCOHHJKWQP-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccc([C@](C)(O)C[C@@H](C)CCC)cc1	1920027977	KNMVNGCKTUYGTG-WMLDXEAASA-N	248.410	4.673	0	10	BJAE	
CCC1CC([C@H](NC)c2ccccc2C(C)C)C1	1921275821	CANIHILXXGBBSJ-KVULBXGLSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@H]1CCCC12CCC2	1921595095	LQVKGPQKZLXUTP-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(CO)C1CCCCC1	1923889279	UQJJVWLAEAXMOR-MRXNPFEDSA-N	238.415	4.702	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)CC1CCCCC1	1924126007	PCXAPQPNYMXRAF-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C1=C[C@H](C[C@H]2CCCc3cccnc32)CCCC1	1925830014	MIPQXULASFAHGQ-GOEBONIOSA-N	241.378	4.638	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1ccsc1Cl	1927981180	WYFRWCZVUGMROI-ONGXEEELSA-N	246.803	4.507	0	10	BJAE	
CCCCCCC(=O)c1cc(Cl)sc1C	1933557627	XUEAWSDTMPXTOC-UHFFFAOYSA-N	244.787	4.863	0	10	BJAE	
C[C@@H](CC(=O)CCC1(C)CC1)CC(C)(C)C	1935881964	IQUIEHRPVDGWOW-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC(O)(CCC)CCCCCC1CC1	1936410249	JUHUEDASEWGWED-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C[C@@H](C)C1CC1	1940707294	WKIBYPCPNDAPBV-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@H](O)CCC[C@@H]2CC2(C)C)CCCC1	1940883412	NXIBPANTFVIBHI-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H](C)[C@H](C)CC	1940935100	JLTJPELTNBLSMD-CHWSQXEVSA-N	232.367	4.504	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CCCC1CC1)NCC	1941268302	DDBJHTJFPGDEGL-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)[C@H](C)CCC(C)C)CC1	1942652138	DRZANJISEYHSMJ-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NC)[C@H](C)CCC(C)C	1942658056	OSWAZKXODONZHT-OAGGEKHMSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CCC[C@H]1Cn1ccc2c(Cl)cccc21	1944799317	MPKAUZFFFCBALT-RYUDHWBXSA-N	247.769	4.731	0	10	BJAE	
CC(C)CC[C@H](C)NC(C)(C)C1CCCCC1	1945382695	QAEPNFZEGIJETL-AWEZNQCLSA-N	239.447	4.760	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@H]1CCC(C)(C)C1	1945594211	SWLSLYCJINUXFY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(=CC(C)(C)C(C)C)CNC(C)(C)C	1946187763	GEAXNQSUMBSWMP-UHFFFAOYSA-N	239.447	4.639	0	10	BJAE	
CCCN[C@H](CC(C)(C)F)CC(C)(C)C(C)C	1947084770	RQCNLBBFSFJWCZ-ZDUSSCGKSA-N	245.426	4.565	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc(C)c(F)c1	1947465495	RXJVTCARBGIZPY-IUODEOHRSA-N	235.346	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCC(F)(F)CC	1947987557	GIUUTCCLYZBLJA-GFCCVEGCSA-N	248.357	4.843	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@H](C)CC(C)C	1948981474	TZYNPBUEQLFUMR-LVQVYYBASA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CCC[C@@H]1CC1(C)C	1949053115	FGNWOFBSVGDIDI-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2CCC[C@H]2C)CC1	1950931428	WYHPXALISQLVEA-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCC[C@@H](C(C)(C)C)C1	1962912456	IWYGESSFVIFQRT-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
Cc1ccc(C)c(NC2C[C@@H]3CCCC[C@H]3C2)c1	1968231051	ZZHWMASSTBJKPJ-GJZGRUSLSA-N	243.394	4.684	0	10	BJAE	
Cc1cc(C)cc(OCC2CC(C(C)(C)C)C2)c1	1968308591	YBTJQYMFMJFZKT-UHFFFAOYSA-N	246.394	4.755	0	10	BJAE	
CCc1cccc(OC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	1968358837	PWLFFNFTOGHRRY-FOLVSLTJSA-N	246.394	4.700	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC(CC1CC1)CC1CC1	1968858765	GBTONCJJCGDYAR-RDJZCZTQSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)CN1CCCC[C@@H]1CCC	1970607218	TZFUAQBPSMOYLL-HOTGVXAUSA-N	239.447	4.857	0	10	BJAE	
C[C@@H]1C[C@@H](NC2CC3(CCCC3)C2)CC(C)(C)C1	1972916894	LVZHKJGUGKBJKV-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC(C)(C)SC	1978449676	CFSWZEMMBHGHFV-LBPRGKRZSA-N	244.444	4.694	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cccc(C)c1Cl	1994201399	PYVWQDKFBUJDNM-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CC(C)Cc1coc2c1ccc1ccsc12	1995461488	LUSRQRFTWVCANK-UHFFFAOYSA-N	230.332	4.846	0	10	BJAE	
Cc1ccc(C(C)C)c2occ(C(C)C)c12	1995464109	CDTZLWYVMHCOEP-UHFFFAOYSA-N	216.324	4.988	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc2sccc2c1	1996612659	ZKLWDZJSHZZRQP-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CCCC1(C(=O)C2C[C@@H](C)C[C@H](C)C2)CCC1	2000195039	LYENYIWZFCILPZ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCCC(C)C)C1=CCCCCCC1	2000256687	VRULYHDHGCGESR-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CC(C)=C[C@@H](C)C1	2000304092	QIVVMCADKUVVRU-BMFZPTHFSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@@H](NC)[C@@H](C)CCC(C)C)CCC1	2000333693	PMFTVWWOOYQOLB-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@H]1C=CCCC1	2000504009	CWRVCNOJNWFZMY-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](C)(CN)C[C@@H]1CCC=CCCC1	2000505297	PUEOHQYAJMETGB-CVEARBPZSA-N	237.431	4.668	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CCC12CCC2)C(C)(C)C	2001845793	XPXBEOCVSBYOSL-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)[C@H]1CC[C@H](C)CC1	2003104000	PSMFYKKITIHVIB-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CC[C@H]1CCCC[C@@H]1CNC(C)(C)C	2004227418	SJYMMYSCICHWOB-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@@H](N)[C@H]1CCCCC12CCC2	2005592908	WRJRJRWETGTWMY-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1C[C@H](CC)C[C@@H](CC(CC)CC)C1	2006631615	MVEJJCOJVKLDRJ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H]1CCC(C)(C)CCC1=O	2009403336	BDKGSMXHJJOUOZ-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@H]1CCCCCCCC[C@@H]1N	2009619526	MLNTZQMIYXAOJL-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
C/C=C/CCC[C@H](CCC(C)(F)F)NCCC	2009621076	AQXPUGAJJPAIMH-DIECRNLCSA-N	247.373	4.536	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)c2cccs2)CC1	2010712978	KTHBFTMZRRGXCL-OCCSQVGLSA-N	249.423	4.521	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)c1ccsc1	2010719817	MXOMQMVDVGNQEZ-CQSZACIVSA-N	249.423	4.535	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@](C)(O)C(C)(C)C)CC1	2010724058	YCJJVGVOKYLBGC-BLLLJJGKSA-N	238.415	4.556	0	10	BJAE	
CCCC(CCC)[C@H](O)CC[C@@]12CCC[C@H]1C2	2010967450	FKERTXXDKPEDTH-ARFHVFGLSA-N	238.415	4.534	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H](CCC)C(C)C	2010988443	MFSNVWWSNVEXMD-CVEARBPZSA-N	237.431	4.548	0	10	BJAE	
CCC[C@@H](N)C1CCC2(CCCCCC2)CC1	2013211952	QXLVBFJTTVQLBA-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CC(C(C)C)C(C)C)C(CC)CC	2015290448	KFCXRTKNHQRLRG-INIZCTEOSA-N	241.463	4.719	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1(C)CC(C)(C)C1	2016135438	FWMLFFVXXLLKLP-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC1(O)CCCCCCCCC1	2016303305	ZUUUBJPSTUXVRO-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@@H]1C1CCC1	2017056583	CZJYXXPTLVPFGD-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)[C@H]1CC[C@H](CCC)CC1	2017663706	XHESOHDXNZMYIR-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](CCC[C@@H](O)C(C)(C)C)CC1	2017716423	RWPWOIBDIXOUHR-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(C)CC[C@@H](O)C2)CC1	2017724548	GPPRABLBLZOUBR-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(CC2(N)CC(C)(CC)C2)CC1	2017727709	CQXLRUNZHQDYBU-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](C)(CNCC(C)C)CC1(CC)CC1	2018976943	USZUABWFEPTYEY-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCC1(C[C@@](C)(N)C(C(C)C)C(C)C)CC1	2018984075	CVLAGSLKLIPJOX-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@H](C)CCC(C)C	2019193378	WITFDVUGAADSSX-HZPDHXFCSA-N	241.463	4.959	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@@H](C)C(C)(C)CC	2019196979	VECBGWYPUCIMDL-LSDHHAIUSA-N	241.463	4.959	0	10	BJAE	
CC(C)CN(C1CCCCCC1)[C@H](C)C(C)C	2020501246	GOSCYZCFXVGCFK-OAHLLOKOSA-N	239.447	4.712	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@H]1C[C@H]1C(C)C)C(C)C	2022558301	VJFDIPDTRUKTTK-ILXRZTDVSA-N	238.415	4.556	0	10	BJAE	
CC(F)(F)CCCC[C@@H]1CCC(C)(C)CC1=O	2023353228	LBBTVAGPIRHOKD-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCCC1(C)CC1	2026170774	SGOADNRBKHZZFZ-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CC1CC(CNC2CC2)(CC2(C)CCCCC2)C1	2027306995	QZHXGPPGQJVZCT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCC2(C)CC2)cc1C	2027808089	OBEJAOAAXUSQOV-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CCCCCC[C@@]1(CNC2CC2)CC=CC[C@H]1C	2027925214	CTQHCLLPTZUZOP-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCC(CCC)[C@H](C=Cc1ccccc1)NC	2028584332	UJTUXJSWSDIQDQ-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
N[C@@H](c1ccc(C2CC2)cc1)C1CCCCCC1	2028590224	HQMORLPQRVFQDS-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CC[C@H](C)[C@@](C)(O)c1ccc(C2CCCC2)cc1	2031743818	FZIBPRAJRNIZFM-SUMWQHHRSA-N	246.394	4.598	0	10	BJAE	
CC1(C)C[C@@H]1[C@]1(N)CCCC[C@@H]1C1CCCCC1	2033629509	BLPDJGBTPQVQFM-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CCC[C@@H](F)C2)cc1	2034890844	IOZBRKMUWXYAPU-LSDHHAIUSA-N	248.341	4.521	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)[C@H]2C(C)C)cc1C	2035406914	FIWXYCRGFJHIKM-IAOVAPTHSA-N	245.410	4.786	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NC[C@H]2C=CCCC2)CC1	2035566275	TZHHZADICLHTQH-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCC[C@@H]1n1ccnc1C1CCCCC1	2036775370	DOXGRBAECRQVDM-ZFWWWQNUSA-N	246.398	4.682	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2037754226	CNVXVBQXTGOXNQ-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)[C@H]1CC12CCCCC2	2039089651	VMXNGLUEZJXZHF-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@@H]1CC[C@@H](C)C1	2040165405	HVUWTZSXHZGPBP-CKEIUWERSA-N	245.410	4.636	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@@H]1CC[C@@H](C)C1	2040173042	QLDXXZXZKWNPSX-CPUCHLNUSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H](NC[C@@]1(C)CC=CCC1)[C@@H]1CC1(C)C	2042073541	AVRONXDYUXJWDD-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@](N)(C[C@H]2CCC=CCCC2)CC[C@H]1C	2045316872	HPVYXMLBMLVLTD-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)[C@@H]1CCC[C@H]1C	2045321581	WZDADBYVTCDILT-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c([C@H](O)[C@@H]2CCCC(C)(C)C2)c1	2045366563	MMQURWYXRQSCEW-GDBMZVCRSA-N	246.394	4.553	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCCC1)C1(C(C)C)CCC1	2045719086	OJQDAESSANPGIP-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@@H]1CC12CCCC2	2047009312	QGXBRFWLXAYOKO-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C[C@H]1CCC12CCC2	2047930441	ANNRVHZJSWZQCK-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2CCC23CCC3)C1	2047932917	PYKIDLSZEPYVTE-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
O=C(C1CCCCCCC1)C1[C@@H]2CCCCC[C@@H]12	2049195712	SJVIEJMTIKJNNP-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2049636748	OHDXJOHTMHOVMY-ABPIDSFRSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C1CC1)[C@]1(C)C=CCC1	2049999020	AQGRBMGAYTYMBR-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NC1C2CCCC1CCC2	2050041557	JROZZIGMKTZOMS-VATXVYSQSA-N	249.442	4.514	0	10	BJAE	
O=C(CC[C@@H]1C=CCCCC1)c1ccc(F)cc1	2050494863	NHBSBQJGHUHPFA-CYBMUJFWSA-N	246.325	4.535	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC2CC2)CCCCC12CC2	2053355022	GVMPFBDSSYYILH-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@]2(CN)CCCCC23CCC3)C1	2053419128	DEKDWERVWSLRDK-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CCCC[C@@H]2F)cc1	2055159480	MBVHJECSNIWWCP-GJZGRUSLSA-N	249.373	4.677	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCC[C@H]2C(C)C)cc1C	2056452179	QKBBZMKPKZHJHJ-JKSUJKDBSA-N	244.378	4.558	0	10	BJAE	
CC(C)C1CC(CC(=O)C2CC3(CCCC3)C2)C1	2056668274	ROUXKCQTRBYUJZ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c([C@H](O)C=C2CCCCC2)cc1C	2056861768	BVYPDEARYBFEBW-QGZVFWFLSA-N	244.378	4.536	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C2(C3CC3)CCCC2)C1	2057610026	VQNLHJLYSZDQPV-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@H](F)C1CCCCC1)c1ccccc1	2058029496	GYZPLXIRUMZAMO-HNNXBMFYSA-N	248.341	4.568	0	10	BJAE	
C[C@@H]1CC=C([C@@H](N)C2(C)CCCCCCC2)CC1	2060922267	QPQYJGPBWGELGR-GDBMZVCRSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C)CC1)C(C)(C)C1CCC1	2060923810	ACKQXOGXAGJZRM-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
C=C=CCCC[C@H](NCCC)c1ccccc1C	2061566796	QUUAZLWGBAKXAP-KRWDZBQOSA-N	243.394	4.547	0	10	BJAE	
CCO[C@@H]1C[C@@H](CC2CC(=C3CCC3)C2)C1(C)C	2061728536	LJDGQOFTRPNMGU-HZPDHXFCSA-N	248.410	4.718	0	10	BJAE	
CCCCCC[C@H](NCC)C1CC(=C2CCC2)C1	2061735169	VVJGFBKLNGGNCV-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063486744	LIWRUMOGFVVQTL-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
N[C@H]1C[C@@H](CCC2CCCCC2)CC2(CCC2)C1	2063642914	RNEATLAIRSIVKH-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H]2CCC3(CC3)C2)CCC1	2069339454	JJXUSDYOINLTGY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCCC1)NCC1(CC2CC2)CCC1	2069506316	ARYAGBAPASTHKB-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(NC[C@H]2CC[C@H](C)CC2)ccc1F	2072795927	JOKYLUAXUGXWOL-JOCQHMNTSA-N	249.373	4.626	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)c1ccc(C)o1	2074641985	PAPCMRLFSPQDJI-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CCC3(CCCC3)CC2)C1	2074893563	VMTPQNDJOCKTGY-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC(C)CC[C@@H](C)N1[C@H]2CCC[C@H]1CC1(CC1)C2	2075239134	XSPZVQUHDDAFIG-PMPSAXMXSA-N	249.442	4.608	0	10	BJAE	
O[C@]1(CCC2=CCCCC2)CCCC[C@H]1C1CC1	2075711537	ZDNUNGGNVMISDU-IRXDYDNUSA-N	248.410	4.598	0	10	BJAE	
c1ccc2c(N[C@@H]3CCC4(CC4)C3)cccc2c1	2078346733	KKCZLNDIEOEQPH-CQSZACIVSA-N	237.346	4.584	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC=CCCC1)[C@@H]1C[C@H]1C	2079228745	ZCLBQTAMTLBGFX-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@H]2C2CC2)CCCCCCC1	2079310520	FQNZEKLYZLWBJR-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2C[C@H]2C2CCCC2)C1	2079493641	YUYIRZMIQCYTQA-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CC1(NC[C@@H]2C[C@@H]2C2CCCCCC2)CCCC1	2079650844	MVZIALZMZMCLMU-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2C[C@@H]2C2CCCCC2)CC1	2079834004	ZTOWXBYJYRDPSU-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)ccc1NC[C@@H]1CCCC[C@@H]1C	2081943958	CNHGRZZBUXSFCK-JSGCOSHPSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CCC(=O)[C@@H]([C@@H]2CCC3(CCCC3)C2)C1	2083031110	AXILIYSOOTUMIQ-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCCCC1CC1	2211101902	JKRIDPHRHHVXQQ-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1C(=O)CCCCCCC1CC1	2213578403	LWCSBDDBJVXVBC-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
O[C@H](CCCCCCC1CC1)CCCC1CC1	2213578747	PCSSHUUSFGMPHF-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CCCCC1CC1	2214570659	UEWDUEGWBYVTFP-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CC[C@H]1C)NCCC	2214964973	ROMRSGPNAVTTKW-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CC[C@H]2C)CCCC1	2215062620	MHTNSRIPBALBQD-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)C1(C)CCCCCCC1	2215104218	FQFJJBOZCFHKCR-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@@]1(O)CCC[C@H]1CCCCCCCC1CC1	2216877161	JBXWTQIETWCZDZ-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@]1(CN[C@@H](C)CC)CC=C(C)CC1	2217127682	DXVVEAVQBOSTTB-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)NC[C@H](C[C@@H](C)CC(C)C)C(C)C	2217146098	WDEYKCDBTPDLOB-JYJNAYRXSA-N	241.463	4.719	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218359591	SPDVUMBCOQAPNZ-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
NCC[C@@H]1CCCC(=CCCCCCC2CC2)C1	2218726130	PMTAHANHKKJMGB-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)[C@H]1C=CCCC1	2218731282	MLFXQEWEXNSZLG-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)[C@@H]1C=CCCC1	2220048225	ZLEUBXRISOWQJY-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(C[C@H]2CCC[C@@H]2C)CC=C(C)CC1	2221669291	WIMPIQHFSBBOPD-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NC2CCC=CCC2)C1	2222271310	YRLGIJKYJAHGBN-ZBFHGGJFSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H](C(F)F)n1ccc2c(Cl)cccc21	2246143843	FZWMZGNXGJOASP-JTQLQIEISA-N	243.684	4.511	0	10	BJAE	
CC1CC(C)(CC(=O)CC2CCCCCC2)C1	2246524056	KQACFDUARORYGM-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
Cc1csc(C(=O)C[C@H]2CCCCC23CC3)c1	2246614839	OTRDNYKTBOLTDP-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CCCCC[C@H](CC[C@H]1CCC[C@H](C)C1)NC	2246727141	OAKRVEGBBHBBNV-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CCCC[C@@H]1C[C@H]1C	2247129155	MRGQUDMAJXPKNB-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H]1CNc1ccc2sccc2c1	2247393854	JFMPJRWZNFCHMT-LBPRGKRZSA-N	245.391	4.749	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC1(C)C)[C@@H](C)CCC	2247415779	OSKIZWNSRBOBQH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1CCC12CCC2	2247426377	XGBPEZGFBFFDJA-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
Cc1ccccc1OCCCCC[C@H]1C[C@H]1C	2248813848	IVFWBKIHWMWWKM-CABCVRRESA-N	232.367	4.590	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(O)CCCC[C@H]1C	2248870397	MBDHJRMDHZVUHY-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCCC(O)(CCC)CCCCC[C@H]1C[C@H]1C	2248881579	ZKHQXWREQJIHIB-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CC[C@@H](C)CCNc1cccc(C(C)(C)C)c1	2249233514	KJMJXXKXPOJFNN-CYBMUJFWSA-N	233.399	4.832	0	10	BJAE	
C[C@H](CC1CC1)Nc1cccc(C(C)(C)C)c1	2249257465	FYHXQVUQKMPXFC-GFCCVEGCSA-N	231.383	4.585	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1(C(C)C)CCC1)NC	2250358174	KOYDVJWYMNQYIV-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@]12CCC[C@H]1CC2	2251211879	ODHOWKGCGTZFGN-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@H](CCC1CC(C)C1)NCC	2251753668	BBMWSUXYAHALGQ-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC[C@H]1CCCCC12CC2)C1(C)CCC1	2253853397	LGRAIOOHIFQTJY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1CC(C)([C@@H](N)CC[C@@H]2CCCCC23CC3)C1	2253861564	FHURGPNIWAQIOX-PYBGIAKNSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(NCC[C@H]2CCCCC23CC3)CCC1	2253883146	GWYZHRZOGDKFHV-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@]2(C)CC=CCC2)C1	2253936764	FUTLYKDJICMMRC-VYDXJSESSA-N	248.410	4.908	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@H]1CCCC12CC2	2255245003	HHUCUWPEGZZXSM-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC[C@H]1CCCC12CC2)[C@H]1CC[C@H](N)CC1	2255257750	XKOWNTJIUFRRPP-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)C1(C2CCC2)CC1	2257340161	MIRKBONQEHEOQC-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@]12CCCC[C@H]1CC2	2260630208	VZDXMAOQZPTLQM-ULQDDVLXSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(C[C@@]23CCCC[C@H]2CC3)C1	2260680352	XKEHANNVBVQZLG-TWMKSMIVSA-N	249.442	4.502	0	10	BJAE	
C[C@H](N[C@H]1CC(C)(C)CCC1(C)C)c1ccco1	2261395558	POHXCJLPESEXFS-JSGCOSHPSA-N	249.398	4.535	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@](C)(CC)C(F)F	2299926262	IVTMAXNBWOYRGF-TZMCWYRMSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCC(F)(F)CC1	2300684214	RPVRVNSEIIKESE-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C1(CC)CCC1	2300691463	UORYTMMVUXYZEQ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCC(=O)[C@@]1(C)CCCC1(F)F	2300700811	NVRVOYFMJRNNQA-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CCC(C)=CCC1(O)CC2(CCCCCC2)C1	2300899696	QNKNNXRNOQKLFR-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301143844	XRTMPWKMWHGKJR-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@H](C)[C@@H](C)C(C)C	2301699752	AWCCUXRFSQPJLQ-JJXSEGSLSA-N	239.447	4.568	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)CCC1=CCCCC1	2301934223	BJJHRNJDVYKEBF-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N[C@H](C)C1CCCCCC1	2301961764	NMRAPYKNQLTTCT-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCC[C@H]2C[C@H]21	2302991276	LKMJZHKBPDGBNW-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@@](CN)(C[C@H](C)C(C)(C)C)CC1	2303477719	ZULLCCKZXIQLLX-GOEBONIOSA-N	237.431	4.524	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@H](C)C2CC2)CC1	2303577173	GAEOEKIESCIXKL-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](C[C@@H]1CCC(C)=C(C)C1)NCC	2303577221	HHYLTAQWXQUVNV-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CCC[C@H](O)C2CCCC2)C1	2304447920	SOAJEKWGAXKWKB-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C(=O)c1cc(C)ccc1C(C)C	2307509094	XVZUCQZDNZJZPG-UHFFFAOYSA-N	232.367	4.737	0	10	BJAE	
CC(C)c1cccc(NCCCCCF)c1F	2307561576	SPLBXRPZVVXUTG-UHFFFAOYSA-N	241.325	4.501	0	10	BJAE	
CCC[C@H](CC)CN(C)C[C@@H]1CCC(C)(C)C1	2307901946	HYFCZBHQPMWURE-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@]1(C)CC=C(C)CC1	2307902065	IMYZCHLPSUBRAP-HOCLYGCPSA-N	236.399	4.908	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)C1CC(C)(CC)C1	2307904685	VURWUJOEVVXYPM-YHNBSYBMSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CC(=O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2312588852	GPGLPQVBDMTDBC-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CC[C@@](C)(CNC1CC1)C[C@@]12CCCC[C@@H]1CC2	2313350638	SKPRVIFQNCWSFH-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)[C@H](C)CC1CCC1	2313600845	UIUFQOXMQORDAY-JJRVBVJISA-N	249.442	4.667	0	10	BJAE	
C[C@@H](CC1CCC1)c1ccc2c(c1)CC[C@@H](C)N2	2313641338	IVZICBVLENHXCH-QWHCGFSZSA-N	243.394	4.727	0	10	BJAE	
CCN[C@@H](c1ccc(C)c(CC)c1)C(C)(C)CC	2314701539	CXIXAKQKTUANQT-INIZCTEOSA-N	247.426	4.644	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H](C)C1CCC1	2315867776	JRELGWWUJGUONC-AWEZNQCLSA-N	245.410	4.967	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@H]1C[C@H]2C=C[C@H]1CC2	2315951109	BTPUNFKTJYBNFJ-NXOAAHMSSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1CC2(CCC2)C1	2316500590	AWKHVKVBECHHAS-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C[C@H]1CC[C@@H]2C[C@@H]21	2316541044	YGXXFWGBPWBXGV-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(CC(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316792395	SHJIDEIXMFJKTJ-NQBOGQKCSA-N	248.410	4.598	0	10	BJAE	
CC(C)NCCC=CC[C@H]1C[C@H]2CCC[C@H]1CC2	2316999504	TYAAGEUZGAYWRE-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
NC[C@@H]1CC12CCC(CC1CCCCCC1)CC2	2317000181	AHHSSSDHPRHIAV-CGZBRXJRSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)CC1CCCCCC1	2317003051	SVCOXCAQJTUKAL-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1CC(N)(CCCC2=CCCCC2)C1	2318539266	GCYIHZXRCKERKI-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCCC2=CCCCC2)C1	2318594069	BHSRGWBGUXHGKV-DOTOQJQBSA-N	249.442	4.955	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCCC[C@H]3C[C@H]32)CC1	2319329007	LEXVADBQDMEEHL-TXOGFHGLSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC(C(=O)CC[C@H]2CC[C@@H]2C2CC2)C1	2319694897	ACXCZCUBYOJQNU-HCEZTOJASA-N	248.410	4.598	0	10	BJAE	
CC(=C[C@@H]1CC[C@H]1C(C)(C)C)[C@H]1CC[C@@H](N)CC1	2320253548	MRSWEAMWFGNSRA-CAOSSQGBSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1N[C@H]1CCCC12CCCC2	2320296127	KRCDLZBYVQAYCM-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@H]2CCCC3(CC3)C2)CC1	2320386865	AZDWWEJLGUXCLI-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@]2(C)CCCC2(C)C)CC1	2320412714	PFRTZUCCCDUTPX-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@H]2CCC(C)=C(C)C2)C1	2320420462	PUYVBWCWFVRAAR-HRCADAONSA-N	248.410	4.908	0	10	BJAE	
CC(C)c1cccc([C@H](O)C2=CCCCCC2)c1	2320580103	DWFJJTYHYYZPSS-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CCNC[C@]1(CC[C@@H]2CCC(C)(C)C2)C=CCC1	2321628174	PQOJONOPBNXEQZ-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)CCC2CCC2)c1	2327657038	HWFBDRSMDZXTDO-KRWDZBQOSA-N	245.410	4.699	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCC[C@@H](C)[C@@H]1C	20520115	IQRAYEPKCZTPNH-LVQVYYBASA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@@H](C)Nc1cccc(Cl)c1Cl	21041158	JMVANMGUNUPYJA-SECBINFHSA-N	246.181	4.840	0	10	BJAE	
CC[C@H](Nc1ccccc1C)c1ccc(F)cc1	21517519	CNIDGBLKJUMVRC-HNNXBMFYSA-N	243.325	4.697	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)c1cc(C)oc1C	36792505	RBCHPHVTAIZUTG-WCQYABFASA-N	237.387	4.516	0	10	BJAE	
Cc1ccc2[nH]c3c(c2c1)C[C@H](C(C)(C)C)CC3	38213027	IELQIVXLZXOCEM-GFCCVEGCSA-N	241.378	4.627	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	70106063	ACRPJTIRDVMDGK-YLFCFFPRSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(Cl)cc2)C1	70562202	HMIAXVSXRSATPZ-FZMZJTMJSA-N	237.774	4.721	0	10	BJAE	
CC(C)c1ccccc1Nc1ccccc1F	82715527	PRQVHWRXFBERRC-UHFFFAOYSA-N	229.298	4.693	0	10	BJAE	
CCCCC[C@H](C)Nc1cc(C)cc(F)c1	85729511	ROBYCYIWNDLSCJ-LBPRGKRZSA-N	223.335	4.515	0	10	BJAE	
C/C(=C/CCNCC(C)C)CC1CCCCC1	93676431	HJFCCDJWPOXJPV-NVNXTCNLSA-N	237.431	4.539	0	10	BJAE	
CCCOc1cc(C)ccc1N[C@H](CC)C(C)C	103986985	CYPCWSFPLXMSAS-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CCCCc1ccc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1	109762394	MLOPDIVLFLUONH-BFYDXBDKSA-N	243.394	4.630	0	10	BJAE	
CCCc1ccc([C@@H](O)CCC2CCCC2)cc1	109788393	HRDFVEBSSUQINO-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CC(C)(C)c1ccc(Cl)c(C(F)(F)F)c1	115244384	CCJDNRIRVNLBPZ-UHFFFAOYSA-N	236.664	4.656	0	10	BJAE	
C[C@@H]1Cc2[nH]c(C3CCCCCC3)nc2[C@H](C)C1	122406208	ZWAFPBLYUJXSTN-NWDGAFQWSA-N	246.398	4.533	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C1CCCC1	130618356	NMFJBNACSKSLJH-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1cccc(CC(C)C)c1	131775112	CGNKHLGCPPFBBN-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
Cc1ccc(N[C@H]2CCC(C)(C)C[C@H]2C)c(C)c1	155797856	MBMULGCWHKZBKB-ZBFHGGJFSA-N	245.410	4.930	0	10	BJAE	
CCCCCC[C@H]1C[C@H](C)CC[C@@H]1CNCC	155941605	KZBXHOMZCWJHHZ-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](N)c1ccccc1C(C)(C)C	159714950	LDRCHRCSFVGLCY-HNNXBMFYSA-N	233.399	4.564	0	10	BJAE	
O[C@@H](CC1CCCCCC1)C1=CCCCCC1	162147253	VYFODWSTEHIGQM-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)c1cccc(C)c1C	163348875	IVXIJOHHZNFPSF-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H](C)c1ccc(Nc2ccccc2N)cc1	201826095	IBVSPCKZKVHGNX-GFCCVEGCSA-N	240.350	4.526	0	10	BJAE	
CC(C)c1ccc(-c2cc([C@H](C)N)cs2)cc1	213355315	IPBFQAUQJANVAC-NSHDSACASA-N	245.391	4.558	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)C1CCCCCC1	227359390	ICJWTRZRBJZADM-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC1CC(Nc2ccc(-c3ccccc3)cc2)C1	232873692	UMAIIGOZEMIHGR-UHFFFAOYSA-N	237.346	4.564	0	10	BJAE	
CCCCCCC(=O)c1c(C)cc(C)cc1F	232915080	ILVOBRLMTXIPJD-UHFFFAOYSA-N	236.330	4.596	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC)C1(C)CCCCC1	233131563	WNDRNHCYKQDQPF-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@H](C)[C@@H](C)C1	251314699	JIGSDVVJPWHTAZ-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@H]2CC[C@H](C)CC2)c1	253138126	UYYCZFHYGANYEI-RCBQFDQVSA-N	245.410	4.533	0	10	BJAE	
CNc1ccc(-c2ccc3ccccc3c2)cc1	259442092	ZZFWNHJCJBSEPS-UHFFFAOYSA-N	233.314	4.549	0	10	BJAE	
CC(C)(C)CCC[C@H](N)CC1CCCCC1	300854389	LLHUAKPVQNOUAG-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H]1CCC[C@H](CCC2CCCCC2)C1	302286253	VYCWJUNWHCPQRL-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cc(OC)ccc1C	302304998	MWHSRDQYYUXGRA-OCCSQVGLSA-N	249.398	4.630	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCc2cc(N)ccc21	302668264	ZZLZQOLPBBHKEE-ZIAGYGMSSA-N	245.410	4.905	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](C)C(=O)c1ccccc1	304152277	CYPOAIOHZTWXRD-KGLIPLIRSA-N	232.367	4.578	0	10	BJAE	
CSc1cccc(NC[C@@H](C)C(C)(C)C)c1	304236229	CBMFWFZSHMBLRK-LLVKDONJSA-N	237.412	4.503	0	10	BJAE	
CCCCCC[C@@]1(C)[C@H](CNCCC)C1(C)C	305967164	JIOYNQRQGTUHSY-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCc1c(SC)cc(Cl)c2ccsc12	307716471	KQMLRQOPPPJJSQ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCCC[C@@H](O)CC1CCC(C)(C)CC1	309444494	MNWKWGMZYWIDIN-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCNC/C(=C/[C@@H](C)C1CCCCC1)CC	310541512	CJICJOBGLBKSGM-FQZGENGWSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)C(C)(C)C(C)(C)C	310587455	WMSYXOMPDCSNTF-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)c1cc(C)ccc1C	310845891	OOMSWXYCXQVFAN-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
C[C@@H](CC1=C[C@H](N)CC(C)(C)C1)C1CCCCC1	310885823	SKUCIUOYYWZSLP-BBRMVZONSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCCC12CCCCC2	313094825	CZLXSBAPLGILMY-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@]1(CNCC(C)C)CCC[C@@H]1C	318028705	LTQYFMQCWRHCOF-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(O)CCC2(CCCC2)CC1	319073120	YUNLGPLKIIKLLF-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](N[C@H](CC)C1CC1)c1ccccc1	323793737	DTYAGDPYOXJACA-SJORKVTESA-N	245.410	4.696	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H](CC)C2CC2)CC1	323894276	PJZWEWCTZVOLMQ-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc([C@H](C)NCCC2(C)CCCC2)cc1	381355177	NINBFQLAJZOOCK-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CC2(C)CCCC2)C1	383620540	VBRHGLAKHZSAOS-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1ccc(C2CCC2)cc1	384531115	HKZXPLADGZEEJG-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CCCC[C@@H](C[C@H](C)c1ccccc1)NCCC	384858657	GUOMKMRJKDLRIE-RDJZCZTQSA-N	247.426	4.739	0	10	BJAE	
O[C@@H](c1ccc2sccc2c1)C1CCCCC1	386522527	FCXGOLLHTSJQLK-OAHLLOKOSA-N	246.375	4.515	0	10	BJAE	
c1ccc2cc(N[C@H]3CC34CCCC4)ccc2c1	386860567	CBAZJUSYPIJIDT-INIZCTEOSA-N	237.346	4.584	0	10	BJAE	
Cc1cscc1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	387232522	VMZOQALIGDGLGQ-OSAQELSMSA-N	249.423	4.683	0	10	BJAE	
CC[C@](O)(C[C@H]1CCC[C@H](C)C1)C1CCCC1	387506105	DMLIPOSLQUTMAG-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)CCN[C@H](C)c1cc2ccccc2o1	394425813	QZHFTWDZYDFDNS-CHWSQXEVSA-N	245.366	4.520	0	10	BJAE	
CCC[C@H](NCC[C@@H](C)CC)c1ccccc1	394466926	YGZDHRJJEYATFQ-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CC1(CNc2ccsc2)CCCCCC1	394583408	DZQNJBIWSMKEQB-UHFFFAOYSA-N	223.385	4.521	0	10	BJAE	
CCC(CC)(CC)C[C@]1(CC(C)C)CCCN1	395124287	NEEKJURWANWRGK-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCC(CC)(CC)CC)[C@H]1C	395215342	JWUDVPJBNHYSFF-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCc1cc2sc(C(F)F)cc2cc1F	396196533	KQQKMFUYUWLTOH-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCOc1sc2cc(C)ccc2c1C(F)F	396233375	BXEAEQKTNIGGJJ-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCOc1cc(C)cc2scc(C(F)F)c12	396255931	XICHHZVFKWEPKM-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCN[C@@H](c1coc2ccccc12)C(C)(C)CC	404295556	NJVBHMNVFGNYQP-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
Cc1cccc([C@@H](O)CCC(C)(C)C2CC2)c1C	406113428	NRDJGLFHJOTKSH-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
CCC[C@@H](C)C(=O)C1CC(C)(C)CC(C)(C)C1	688307241	CXZNKYOHFFXBMR-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CC[C@H](C)SC2)cc1	689403668	WPRJFFGSYNCQEB-WFASDCNBSA-N	249.423	4.506	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CCCC[C@H]2C)c1	689616541	ZIMJGEZYNAKILZ-CZUORRHYSA-N	245.410	4.802	0	10	BJAE	
N=C(Nc1ccc(C2CC2)cc1)C1CCCCC1	690101712	XDMFVIDOMDHYAO-UHFFFAOYSA-N	242.366	4.533	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCCCC[C@@H]1C	691077524	HEKDOSVONFCODG-SMDDNHRTSA-N	235.346	4.515	0	10	BJAE	
C[C@@H]1C[C@H](N[C@@H]2CCC23CCCC3)CC(C)(C)C1	693795096	MPSMAPGPCQZEIA-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H]2CCCC3(CC3)C2)C1	695715362	GAZAJRSVKZUJCV-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCC12CCCC2	696677647	KMBDTJLHMIZOTD-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)CC[C@H](C)[C@H](O)c1ccccc1	696779121	CUSOLBFMRHHYMM-ZFWWWQNUSA-N	234.383	4.573	0	10	BJAE	
CN[C@H](CCC=C(C)C)c1c(C)cc(C)cc1C	697774200	ISHAPDJCOKAPOQ-MRXNPFEDSA-N	245.410	4.619	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)C[C@H]2CC=CCC2)C1(C)C	699025558	PYTLINLCIWVDTD-KEYYUXOJSA-N	248.410	4.764	0	10	BJAE	
CCC(CC)C[C@]1(CNC(C)(C)C)CC1(C)C	702167664	XVVOUKMDALVSEF-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
C[C@H](Nc1cccc2ccsc12)C(C)(C)C	702477286	SOTRWRRUSOKCAZ-JTQLQIEISA-N	233.380	4.748	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(N)C2CCCCC2)C1	704861306	NRRIZPUYKNQADQ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(CCCC(C)(C)C)C1CCCC1	704957461	OOQQLWQTSJHULQ-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
C[C@H](CC1=C[C@@H](O)CC(C)(C)C1)CC(C)(C)C	709096493	IZNQLMORIFOXRA-TZMCWYRMSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)NCC1(C2CCCCCC2)CC=CC1	709810266	MEHCKSGAJYXSHY-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(CNc2csc(C)c2)c(C)c1	710708970	DZONZQUDAXCOPA-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCCNc1nc2cc(C)sc2cc1C(C)C	710801768	CMEYCLITPQYTBT-UHFFFAOYSA-N	248.395	4.550	0	10	BJAE	
CC(C)NCC1(C[C@@H](C)C(C)(C)C)CCCC1	711160432	TYLQRLJNMHLNBV-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@H](C1CCCC1)C1CCC1	711830618	FFVBOFSOVMCIKS-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1N[C@@H]1CC(C)(C)CC[C@H]1C	713022919	OHNFUMHBRSMWAA-UKRRQHHQSA-N	231.383	4.622	0	10	BJAE	
C[C@H](C[C@]1(N)CC(C)(C)CC[C@H]1C)C(C)(C)C	713077178	HSQYFZVGFUFGFZ-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H]1c2cc(C(C)C)ccc2[C@@H](C)[C@@H]1CC	714342499	GQMMBWXZDBNQMS-JDFRZJQESA-N	245.410	4.604	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@@]2(C)CC2(C)C)cc1	717038878	ZBPGWUVBHMSGCW-QGZVFWFLSA-N	245.410	4.832	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C[C@@H](C)C(C)(C)C	718573859	RBXOWDGOLBDOQD-KGLIPLIRSA-N	225.420	4.523	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccc(C)cc1C	718724611	WBMRPUGWBJFDCM-UHFFFAOYSA-N	230.351	4.623	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](NC)c1ccc(C(C)C)cc1	723059124	WDJYMHMJYXSJRE-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@@H]1C[C@@H]1CC	723080075	TUUBTOUMOUGTFO-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)[C@@H](C)SCC1CCCCC1	1188675739	CKGOFGXFZTVECW-VXGBXAGGSA-N	214.418	4.735	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2C[C@H]2C2CCCCC2)C1	1620819826	CHBMMYFEBRXJGQ-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCc1ccccc1C(C)C	1659399174	YTMCRTJCKQQEOJ-CQSZACIVSA-N	247.426	4.724	0	10	BJAE	
CCC(CC)c1ccc(Br)cc1C	1889480626	CHXAKINDWKQTGV-UHFFFAOYSA-N	241.172	4.661	0	10	BJAE	
CC(C)CCC[C@](C)(N)[C@H](C)CCC(C)C	1900597244	RPQMRUZVPJZCOW-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
CCC(CC)CC[C@H](C)CCNC(C)(C)C	1900711669	FZXHSTNPCNDQLI-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H](C)CCC	1900857889	KOOFLJOVBQSFDT-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1(CCC)CCC1	1905435378	QKUITHDTGWBHSS-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](N)CC1CCCC1	1905454730	UWBVYONSVKVYHR-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@]12CCCC[C@@H]1C2	1909885281	ZJMZSDONEGGBHX-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@H](O)CCC=Cc1ccccc1	1912103086	MXMZLRAGVMELGA-MRXNPFEDSA-N	246.394	4.667	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)c1ccc(C(C)C)cc1	1920209019	WPYPEDPGBLXEOX-PBHICJAKSA-N	247.426	4.810	0	10	BJAE	
OC1(C[C@H]2C=CCCCC2)CCCCCCC1	1925916538	HCWPRAMLIWUQLT-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
Clc1ccc(C[C@H]2C=CCCC2)cc1Cl	1932607984	YJBLJQYQZCQTJI-JTQLQIEISA-N	241.161	4.892	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC1(C)CCCCC1	1935625611	OXJZSLXXTRMLDM-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCc1cscc1[C@H](O)CCCC(C)(C)C	1938803977	MGOXDPRKKMNUCC-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1cscc1CC	1938825822	KHOQPCOCUXLHOB-RISCZKNCSA-N	239.428	4.527	0	10	BJAE	
CCCCC(=O)CCC(C)(C)C(F)(F)CC	1939117417	KEBWTMSEIINWMY-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CN[C@@H]1CCCC[C@H](CC2(C)CCCCC2)C1	1940405207	BIEPKFZUJVUVKR-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C[C@H](C)CC(C)(C)C	1940789848	GXHPTFWZBNNALR-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(OCCC[C@H]2CC2(C)C)c1	1940874693	VMULRNLFNTZEHQ-AWEZNQCLSA-N	232.367	4.509	0	10	BJAE	
C[C@@H](C[C@@H]1CCC[C@@H](C)C1)c1cccc(N)c1	1940976667	OJVBZGRXHCBVGW-HZSPNIEDSA-N	231.383	4.589	0	10	BJAE	
CCC1(C[C@@H](N)[C@H](CC(C)C)C(C)C)CCC1	1941267235	PKEAVOCTWCPFEC-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)CCCCCC1CC1	1941580258	XLERUUTXRRGXDV-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](N)(CCCC2CC2)C1	1941583691	IHDPEHIXZBVUSL-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@H]1CCC1(C)C	1945747316	IJCBOUZDRNVOHW-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](CC)C1CCCC1	1947460274	KDOKNHRVKUOHKD-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCC1CCC=CCC1)CC(C)C	1948846508	ISBNIEHWDOZGRQ-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC(C)(C)C(C)(F)F	1949014411	DCUAACJNMLUDCX-SMDDNHRTSA-N	249.389	4.602	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C1(C)CCCCCC1	1949051246	MHLWHCNGAIHVEO-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)(CCCC1(CO)CCCCC1)C1CC1	1950374031	XKLTZASYYCZPIA-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
Fc1ccccc1N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1968276513	CPYKRJBXNIVNDX-BTTYYORXSA-N	247.357	4.597	0	10	BJAE	
Cc1ccc(OCC2[C@@H]3CCCCC[C@@H]23)cc1C	1968308751	ZBRSBTRQDFYQRY-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]2C1)C1CCCCC1	1970664564	KKOLEVCKCQSENU-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CC1(c2cccc(NCCC3CCCC3)c2)CC1	1973398334	PFQGZEKECDIBTO-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
CCCCC1CC(N[C@H]2CCC3(CCCC3)C2)C1	1973447539	SPYVAJKOEGJUTJ-PCKAHOCUSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1cscc1F	1982842746	YJVCPHUUHXCKDX-MFKMUULPSA-N	244.375	4.527	0	10	BJAE	
CCC(C)(C)C(=O)C1(C)CCC(C)(C)CC1	1983314478	ODFBXAIGPHVFFS-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccc(C)cc1	1988795029	PAPBYKWJKBQNMR-AWEZNQCLSA-N	217.356	4.542	0	10	BJAE	
C/C=C/CCCNc1cc(Cl)c(F)cc1C	1995047006	CJFLMOZMTZZZOW-ONEGZZNKSA-N	241.737	4.556	0	10	BJAE	
CC1CCC([C@@H](C)N[C@H](C)CC(C)(C)C)CC1	1996548671	SDQSTUANAVJUDX-PIOWNMBXSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](C)C1CCC(C)CC1	1996552705	COWGYRKQMVGCJT-UMQCYNJMSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C1(C)CC=CC1	1997543643	JYMASPHFTFLLGI-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@]1(C)CC=CCC1	1997548944	KYYJHXSTUUQQKE-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CC[C@H]2CC)CC1	1998740655	GUVWRIAKOOYIEJ-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CCOC(=O)[C@](C)(CC)CCCCCC(C)C	2000649206	ZRZIVDKKMLLVEW-OAHLLOKOSA-N	242.403	4.572	0	10	BJAE	
CCC[C@@](O)(C[C@@H]1CC12CCCC2)C(C)(C)C	2001258318	DMTBFYDUGHICTC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CC(=O)C[C@@H](C(F)F)C(C)(C)C	2002435884	RREXTUSORTXKOG-JQWIXIFHSA-N	248.357	4.699	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)CC1(C)CC1	2002516784	UBQHMDKUYXXYTL-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@H]1CCCC2(CC2)C1	2003218140	PDQDMDOEZPINSL-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](NCC1(C)CCCCCCC1)C1CC1	2004937827	VKHKLBHVJHFDRE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@]1(CO)CCCCC12CCC2	2005581609	ZVODWZFYUQETNH-MRXNPFEDSA-N	238.415	4.680	0	10	BJAE	
CC=C(C)[C@@H](NCCC)C1(C)CCC(C)CC1	2007853881	NSSOBWODTDFVNN-OGVSOVDVSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H]1CCCC(C)(C)C1	2009634671	IIWAHOIVJXPXLA-MUHKLVGJSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H]1NCC[C@@]12CCCCC[C@@H]2CC	2009769387	LONJEAFXSNDKDW-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@@H]1CCC[C@@H]1C	2011184589	TUPPKIFUVTWDDD-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC12CCC(CC1)CC2	2012819737	AJDWMLZPJMNSJA-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](N)(CC)CC12CCC(CC1)CC2	2012836513	NCJHABUROUZPLG-UYSNPLJNSA-N	237.431	4.645	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@H]1CC12CCCC2	2013295936	INPMREMIHUDALL-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CCC(C(C)C)C(C)C	2015333704	CUFYPOBEGABTKZ-HOCLYGCPSA-N	242.447	4.882	0	10	BJAE	
CC(C)CN(CCC(C(C)C)C(C)C)C(C)C	2015393316	CDSTWXBDPSFWEK-UHFFFAOYSA-N	241.463	4.671	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(O)CC[C@@H](C)C2)CC1	2017650953	NUYNPEWIFBYYNH-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)[C@@H](C)C(C)(C)C)CC1	2017653212	QHQJVHAAJADIOY-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2CC[C@H](C)CC2)C1	2017720849	IJRFMLAIYZZTME-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC1CCC(CCC)CC1)NC	2017727779	DFKIRJBHPWVPHV-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC(=O)[C@@H]2C)CC1	2017774621	QWXOQWZXBWHKQB-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CCCC3(CC3)C2)sc1C	2017979898	QVWBAMFNTNPQIJ-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H]1CCCC[C@@H]1CC	2018129614	KGWNPRGSQBZPEH-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](CC)NC1C[C@@H]2CCC[C@H]2C1	2018134849	SMMBKMFWKJHBEC-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC(C)(C)C(C)C	2018187184	DJOZRFDZJAJZFS-OAHLLOKOSA-N	241.463	4.959	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC1(C)CC(C)C1	2019194515	QMJJRJSYHFDILL-HWOWSKLDSA-N	239.447	4.571	0	10	BJAE	
CC=C(CC)[C@@H](NCC)C(C)(C)C1CCCC1	2020968608	WQWBOEMRHYGYRY-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1C[C@@H]1C1CCC1	2022382722	GYIXHDDEVGJYEL-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1C[C@H]1C1CCCC1	2022453444	GGTRUEOGDZBXHB-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC[C@H]1C[C@H]1CCC)NCCC	2022495814	MHMJIOXTAPOCEC-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@H]1C[C@H]1CCC	2022500706	BBWQZFGJMZERKS-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1C[C@@H]1COc1ccccc1C(C)C	2022543023	CECJSHIIEBJPTM-UONOGXRCSA-N	232.367	4.625	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CCCCC(C)(F)F	2023351768	BKBZBTKWYMEEHV-LBPRGKRZSA-N	248.357	4.843	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H]1CCCC(C)(C)C1	2024127938	IKVPDVCRFXVLLP-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC1(C)[C@H]2CC[C@@](N)(CCCCCC3CC3)[C@H]1C2	2028642781	DLTPVNLMFLCURB-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)C(=O)c1cccc2c1CCC2	2029742814	DUIDCGYFJWUNLS-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)[C@@H](C)CCC(C)C	2029823867	JPIGDHFNDUCGHM-UAGQMJEPSA-N	248.410	4.613	0	10	BJAE	
CC(C)c1cccc(NCC2CCC(F)CC2)c1	2032178922	OUVIBUUEYBDDAZ-UHFFFAOYSA-N	249.373	4.750	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@@H]1CCC(C)(C)C1	2033401416	MOUSNRGDUZZTOL-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)c(C)c1	2034264038	PGBFQKWOYHFQLY-HLLBOEOZSA-N	243.394	4.684	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CC2CC3(CCC3)C2)C1	2038081285	QFUKDISLTMGNPP-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@@H]1CC12CCCCC2	2039007421	YNTOAVJMOFVCNX-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC=C1CCC2(CC1)C[C@@H]2CN	2040466600	DQPISORHUOHLLV-TZHYSIJRSA-N	249.442	4.668	0	10	BJAE	
CC1CCC([C@H](C)N[C@@H]2CCCC3(CC3)C2)CC1	2040636294	PVEMDCPHDZTSHA-BHDPWAOGSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@@H]1CC12CCCC2)C1CCC(C)(C)CC1	2040638159	IXPVALDMVWADBI-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@H]1[C@]1(N)CCCC2(CCCCC2)C1	2040764417	CAOQAVDGFUMOGJ-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)CC2CC(C(C)(C)C)C2)c1	2042999812	HBFKSIZCSDDSSC-UHFFFAOYSA-N	244.378	4.640	0	10	BJAE	
NC1(C[C@H]2CCC=CCCC2)CC2(CCCC2)C1	2045316647	GCXBWDLKSRTWTD-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
Cc1cc(C)cc(C(=O)C2(C)CCCCCC2)c1	2045609870	LKWPZMGUCPNMKH-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@]1(N)CCCCC12CCCCC2	2047562828	WFOULWYVBXGPST-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C[C@H]1[C@H]2CCCCC[C@H]21)c1cccc(N)c1	2048493819	QRALJGGWHPFRQP-VDNDLQMASA-N	243.394	4.589	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C1CC(C(C)(C)C)C1	2048621666	OMFJNQIDBNFIAE-VXGQWTEUSA-N	248.410	4.620	0	10	BJAE	
COc1ccc(NC2CCCCCCCC2)cc1	2049673718	XBNYFKOPFDNKOQ-UHFFFAOYSA-N	247.382	4.610	0	10	BJAE	
CC(C)NC[C@]1(CC2(C)CC2)CCCCC12CC2	2053359829	SUOXICJPSGYPNE-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@H]1CC[C@H](C)C1	2053921928	HVUWTZSXHZGPBP-ZQIUZPCESA-N	245.410	4.636	0	10	BJAE	
F[C@@H]1CCCC[C@@H]1C[C@@H]1CCNc2ccccc21	2055176395	YWJBGEVLSGHDHR-GZBFAFLISA-N	247.357	4.504	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@@H]1C)[C@@]1(C)CC=CCC1	2055282781	PHWBRWCKXIMEQC-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCCC(C)=C(C)CCC(C)=CCO	2055496743	KSCZUNTYFHOHMT-UHFFFAOYSA-N	236.399	4.788	0	10	BJAE	
CC(C)(CN[C@@H]1C=CCCC1(C)C)C1CCCC1	2055535543	JFEXZEQPUZPYAX-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC=C1C)c1cccc(C)c1	2055668347	CKLADAMGBQYZLS-DLBZAZTESA-N	243.394	4.535	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2CC(C3CCC3)C2)C1	2056639067	CQYNELFIECBFOJ-PGEKIEPBSA-N	249.442	4.501	0	10	BJAE	
NC1(CC2CC(C3CCC3)C2)CCCCCCC1	2056651448	RIHBMHWJGYHTCL-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2CC(C3CC3)C2)C1	2056665652	GLXWNLMWQVPIQK-KNLHSXBVSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(CNc2cccc(C3CCC3)c2)C1	2056725401	LMPSOCRBMNUUHE-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)C1CC(C(C)C)C1	2056872684	GGBUVBTZUQBFNW-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCCC)c1cccc(C)c1	2059225797	RHFLYLIOPFCILD-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CCCC1CC(N[C@@H]2C[C@H]3CCCCCC[C@H]32)C1	2059396104	VIGLHVYYKQBVDE-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCCCC[C@H]2CC)CC1	2061116354	PKLMXRIKTALDHT-INMHGKMJSA-N	249.442	4.811	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)CC1CC(=C2CC2)C1	2061695931	JUNIBOFXQKIRNO-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
CN[C@H](CC1CC(=C2CCC2)C1)C(C)(C)C(C)C	2061730237	GDUFDKZZRKEKFH-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C12CCCC1CCC2	2063821985	NEMYKQMCJXHNSO-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCCCC(C)(C)Nc1ccc(C(C)(C)C)cn1	2066393134	RIRQDORIGZYRAR-UHFFFAOYSA-N	248.414	4.760	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068719202	MQPUUXPHUSBPCC-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCCCC1	2068781174	QTWYZUSNUXAVBI-ORQFMDKSSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@]2(CNC3CC3)CC2(C)C)CCC1	2069342279	NHGRHTZLMBZWNI-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C[C@@H](C)c1ccccc1	2070395818	TUQOBIKWUZLCFH-NVXWUHKLSA-N	246.394	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CC1	2071191961	MHSOFYDIGVBBDN-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)C[C@H]1C[C@H]1C	2071512935	XJJPMUCQSLJNTL-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(CC2(CNC3CC3)CCC2)CCC1	2071944862	AZRCMYKYAFLZIB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)CC[C@@H]1C[C@H]1C	2072089657	DIBOZHMAVUKYMO-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@@H]2CC=CCC2)CC1	2072793693	MPRYVJHUQOOOJN-BACDZXNISA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(C[C@@H]2C[C@H](N)C23CCC3)CC1	2072813590	VJWACTLHZWFKQL-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@]2(C)CC=CCC2)CC1	2072873097	KNRPQQXDQWQIOL-ZOBUZTSGSA-N	248.410	4.908	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@]12CCCC[C@@H]1C2	2074030227	RXDRCSMFURKEKX-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)[C@@H]1CC=CCC1	2074644987	WVSFSPLRTBEQNE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCCCN([C@H](C)c2ccccc2)C1	2074793105	PXIHOQPSBJOLCF-HZPDHXFCSA-N	245.410	4.650	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC[C@@]3(C)CCC[C@H]23)C1	2074890715	BSTNUNYKTQGENW-LTIDMASMSA-N	249.442	4.610	0	10	BJAE	
O=C(CC[C@@H]1C[C@H]1C1CCC1)CC1CCCCC1	2079331848	GYXWJRNKMBNVFR-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](C[C@@H]1C=CCCCC1)NCC	2079437926	DSNZPUBRKUVEQV-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1CC1)C[C@@H]1C[C@H]1C1CCCCCC1	2079644638	MLCJHJUUDFLEFM-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@@H]1C[C@H]1C1CCCC1	2079664177	DEBNFTSBELTPET-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1C[C@H]1C1CCCCC1)[C@@H]1C=CCCC1	2079841683	KEESAACONRQKQM-PMPSAXMXSA-N	246.394	4.518	0	10	BJAE	
O=C(CCC1CC1)C[C@@H]1C[C@@H]1C1CCCCCC1	2079850326	FAVLPTFZUCPZTJ-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CC[C@H](C)C[C@@H]1C	2081947408	SBUWAGGSUBLDSX-SLEUVZQESA-N	249.373	4.625	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2CC3CCC2CC3)C1	2083014257	LVISJMWQTFYZGH-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](O)CCCCCCCC1CC1	2210527450	ROGQRDKCWHOBHZ-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
Clc1ccc(CC=Cc2ccccc2)cc1	2210661816	FUXKMXILIPDZQP-UHFFFAOYSA-N	228.722	4.596	0	10	BJAE	
CNC[C@H](CCCCCCC1CC1)C(C)(C)C	2213573915	MTSBMPUZPJLFEQ-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)NC[C@H](CCCC(C)C)C1CCC1	2217125964	RZNFTLFYFKOWGC-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@]1(CN[C@@H](C)CC)CCCC[C@@H]1C	2217130852	UUTIGDORFNHTQW-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@H](CCC(C)(C)CC)C(C)C	2217146253	XPPHIJZTAWXVMG-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCCCC1(CN[C@@H](C)CC)CC(CC)C1	2217152771	HGKFODDHMSOJCQ-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CC1([C@@H](N)CC2C[C@H]3CCC[C@H](C2)C3)CCCC1	2218335929	WFRUAWOEOQDABR-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](N[C@H]1CC=C(C)CC1)c1ccccc1	2221668189	YEUZNXBVPKUROC-IRXDYDNUSA-N	243.394	4.616	0	10	BJAE	
C(CC[C@@H]1CC[C@@H]2CCCC[C@H]2C1)CNC1CC1	2222932430	FIPSEULYOJHBQU-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(=CCCCCCCC1CC1)C[C@H]1CCCN1	2223130069	IZORCWLHNNFCIG-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H](C)CCC)s1	2242605410	WXRMGLPFMCQPET-NSHDSACASA-N	238.396	4.710	0	10	BJAE	
CCC[C@@H](CC)C(=O)CCCCCC(C)C	2244783914	QZTRPGYNAUJJJE-CQSZACIVSA-N	226.404	4.988	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)c1cscc1C	2244784392	UKSVUBKQQIHILL-GXTWGEPZSA-N	239.428	4.533	0	10	BJAE	
Cc1c(F)ccc(N[C@H](C)CC(C)(C)C)c1F	2246383456	NRAPZQLEJCBAIE-SECBINFHSA-N	241.325	4.510	0	10	BJAE	
CCC[C@H](C)[C@H](O)CC[C@H]1CCCCC12CC2	2246623088	JMFLHBTXBLHBFQ-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CCCCN)CC[C@H]1CCCCC12CC2	2246634820	UPXXAQFVXFEJMX-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC[C@@H]1CCC[C@H](C)C1	2246729683	CIQHSESUAPAJJT-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H]1CCC1(C)C	2247444365	MGQWQIIJFBKJNZ-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@H]1CCCC12CC2	2247600431	JSXNVERUUPWHQM-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@@H](N)CC[C@H]1CCCC12CC2	2247620751	VPXPWRWRPKXUOP-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)[C@@H]1CC12CCC2	2248284578	YAHUZQSXNZMFMK-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@@H]1CCCCC[C@H]1O	2248819055	HKDHXKUCSBVBHN-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(NCCC2CCCC2)cc(C)c1C	2249485685	FMCHIQNLEMGGNN-UHFFFAOYSA-N	231.383	4.604	0	10	BJAE	
CCN[C@@H]1CC[C@H]1CC[C@@H](C)CCCC(C)C	2250478508	JUHAVLHUCKRAQF-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@@]12CCCC[C@H]1CC2	2251171833	PZMJYCJJHBSHQR-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC)C[C@@]12CCCC[C@@H]1CC2	2251217746	SDUJQHFZYMVAON-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCC(C)(C)C2=O)CC1	2251710358	BJCTZMDWGRCAGU-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
NC[C@@H]1CCC[C@@H](CC[C@H]2CCCCC23CC3)C1	2253886233	JSVXLPPZCGQTEI-ARFHVFGLSA-N	249.442	4.502	0	10	BJAE	
N[C@H](CC1=CCCCC1)CC1CC2(CCCC2)C1	2254104693	DPJKFNPDLZDFMI-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](CCC1CC1)CC1CC2(CCCC2)C1	2254111339	HILAIPXUKSVRDO-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C(=O)CCCC[C@@H]2C[C@@H]2C)ccc1F	2254608185	JYGJTVVGNKERLO-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@]1(N)CCC2(CCCC2)C1	2254609245	XENDQPJRSUCYPD-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C1=C(CN[C@H]2CCCC3(CCCC3)C2)CCCC1	2255106203	VETXLLZFXVCVBY-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CCN(CC[C@H]1CCCC12CC2)C1CCCCC1	2255260857	VCONAXVYLKGFGX-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)[C@H]1CC12CCC2	2256412917	VLCWIYYKEXUJPR-DZGCQCFKSA-N	243.394	4.801	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@]23CCC[C@@H]2CC3)CC1	2260504385	DTPZGYVECRSWMV-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@@]23CCC[C@H]2CC3)C1	2260579517	RQNWBKDQJMPUEL-VSUJBEPISA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NC[C@@]12CCCC[C@H]1CC2	2260585853	DOJRZYKGPUEGKG-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CCC1([C@H](C[C@@]23CCCC[C@H]2CC3)NC)CCC1	2260600001	DXDXMKYATSQCST-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(Nc2cccc(C3CCCC3)c2)C1	2260665003	SQIRHBLKJFPHKK-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CCCCCC(=O)OC(CC(C)C)CC(C)C	2298922501	HJNJLOQWCYMIIH-UHFFFAOYSA-N	242.403	4.571	0	10	BJAE	
CCCC1(C[C@@](C)(N)CCCC(C)C)CCC1	2300501384	MLDDLVPTGDUJLI-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@H]1CCC12CCC2	2300501619	PMZRVQVYPYGSBM-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1C[C@H](C)CC[C@@H]1CCC(CC)CC	2300679851	XPLKSLRQXSYAAW-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC=C(C)CC)[C@@H]1CC	2300927551	WLLSEPTVKTZWPY-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1CC1CCCCCC1	2301245037	RPSLXLBWTLEXFR-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@H](C)[C@@H](C)C(C)C	2301961830	OAKNDGMWOMBGID-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC1(N)CCCC1	2302557525	QIXUEMMQCDSJIY-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@H]1CCC(C)(C)C1	2302710716	SQRMPWAXZMVAGK-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@H]1CCC(C)(C)C1	2302720849	HVTAJLYTXXSFEG-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)C[C@@H]1CCC(C)=C(C)C1	2303519308	DEGFPCISYJBLKP-BZUAXINKSA-N	237.431	4.523	0	10	BJAE	
CC1=C(C)C[C@H](C[C@](C)(O)CCC(C)C)CC1	2303520835	HXOPIQLFBLYJRW-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)c1cccs1	2303594856	MIIKWBZPTVZDDY-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)CC[C@H]1CCC(C)(C)C1	2304438018	APPUGRSRNNCGNJ-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CCCCCCc1ccc([C@H](C)C(C)=O)cc1	2307640527	QXUSKWDRVUSPRQ-CYBMUJFWSA-N	232.367	4.502	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(N)CCCC2(CCC2)C1	2307816958	KLEOPJWCLMYQQP-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H]1CCC[C@@H]2C[C@@H]21)NCC	2310191663	ILBICBJZIKFBRN-BZURIXIGSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C[C@@]12CCCC[C@@H]1C2)C1CCCC1	2311146825	XANQKNMFJDKIGW-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2311524597	AWXTTWJDOWNZCH-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2312425938	ITAIVQUNVRTZCN-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@@H]2CC[C@H]1C2)C1CCCCC1	2312878571	WSGHKWHPEYZCAK-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCCC1	2313181475	RUQSNRCNMMDRCK-WMHQRMGPSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@]1(C)C=CCCC1	2316501656	HUEZKOSGAKABRB-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CC1(NC[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCCC1	2317001699	AXJPVODKOPGUGB-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCCCCC1)C1C[C@H]2CCC[C@@H]2C1	2317011102	UPWLZVJBNOPLOT-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)C12CCC(CC1)C2	2320246378	IRTYBXLLWWLLHY-YRTQGLMCSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(F)c(NC[C@H]2CC[C@H]2C(C)(C)C)c1	2320320379	NPMLVEIGVYLMFD-CHWSQXEVSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(O)C=CCC(C)(C)C2)CC1	2320341673	WSVBPKNHYVQLHA-NVXWUHKLSA-N	248.410	4.620	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)C1CCCC1	2320412640	KJCBENGFDXAGPW-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1cccc(C2CCC2)c1	2320649868	GXUUXORWPGRLBP-GDZNZVCISA-N	246.394	4.670	0	10	BJAE	
CCCC1CCC(C=C2CCN[C@@H](C)[C@@H]2C)CC1	2321303232	APXVJLBWKJXYKE-FXQLRMTLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1cc(C)ccc1C(C)C	2327678796	ZGIIKBYLOLXLRL-RHSMWYFYSA-N	248.410	4.834	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)CCC2(C)CC2)c1	2327699738	RZGVAHURWBBOKO-INIZCTEOSA-N	246.394	4.732	0	10	BJAE	
CCC[C@H](CC)CN(C)CC1CC(=C2CCC2)C1	2328104868	MOTXVRXHNKSYAN-AWEZNQCLSA-N	249.442	4.635	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(C)cc1	21011427	IFEXGERDOXBNIC-TZMCWYRMSA-N	219.372	4.622	0	10	BJAE	
CCc1ccccc1NC1CCCCCCC1	21035871	OMTTXYPUMLXRTQ-UHFFFAOYSA-N	231.383	4.774	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)c1ccccc1	35575976	PLLDGHZZEGYQNA-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
Fc1ccc(Sc2ccc(Cl)cc2)cc1	39151071	BMVDOICYFQGDDI-UHFFFAOYSA-N	238.714	4.630	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1Cc2ccccc21	86486999	LCNYEJUTYBCAOY-CZUORRHYSA-N	244.378	4.502	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)c1cc(C)c(C)cc1C	86495567	YKHFYOVMODKDOP-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)CCNC(C)C	87950354	GHOJDMRSLZZLKY-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](C)c1cc2cccc([C@@H](C)CC)c2o1	88073269	FODNESULRYMDBI-RYUDHWBXSA-N	245.366	4.617	0	10	BJAE	
CCC(CC)[C@@]1(O)CCCC[C@@H]1c1ccccc1	94676116	ZWYRWROKGCCKHZ-SJORKVTESA-N	246.394	4.512	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)c1ccccc1C	109705167	UKENZARBTLTDJX-RDJZCZTQSA-N	247.426	4.775	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCCC[C@@H]2C)c(C)c1	109899288	VXVMQZOCPVKJEZ-SWLSCSKDSA-N	231.383	4.602	0	10	BJAE	
Fc1ccc(-c2ccccc2)c(C(F)(F)F)c1	112734598	UMSOKBUJVFIOCT-UHFFFAOYSA-N	240.199	4.512	0	10	BJAE	
CCC[C@@H](N[C@H](C)C(C)(C)C)c1ccccc1	122597861	LKPICSAHXBZKOH-UKRRQHHQSA-N	233.399	4.552	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1cccc(C)c1C	125124395	IGXWTJYDPMHOOI-DOTOQJQBSA-N	247.426	4.910	0	10	BJAE	
CCCNC[C@@H](C)[C@H](C)c1ccc(C(C)C)cc1	132971393	KUINWHYZSXWQJR-CABCVRRESA-N	247.426	4.549	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C1=CCCCCC1	161961539	GXQFOJUFRHUMIW-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCCC1CCC([C@H](NC)C(C)(C)C)CC1	164681284	OGMKGOWQMZBSIX-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	168662142	FLKFZAOCHAIQOX-RBSFLKMASA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)Nc1ccccc1C(F)(F)F	169071763	KTMFHDLUURINTB-UHFFFAOYSA-N	245.288	4.696	0	10	BJAE	
CCCN[C@H]([C@@H]1CCCCC1(C)C)C(C)(C)C	226832636	QKRRWHLADHYDCI-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)c1cccc(CC)c1	228851811	IHQWLPXGHAVGBX-WBVHZDCISA-N	247.426	4.726	0	10	BJAE	
CCCc1cccc([C@H](N)C2(C)CCCCC2)c1	233365102	IPHFFXMIFGABQV-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
Cc1cccc([C@@H](O)C2=CCCCCCC2)c1C	300139389	YAMJCGWHBPSZTE-KRWDZBQOSA-N	244.378	4.617	0	10	BJAE	
CCC[C@H](C)C(=O)[C@H](c1ccccc1)[C@H](C)CC	300460401	AJQISFKUFRIGCG-YCPHGPKFSA-N	246.394	4.822	0	10	BJAE	
Cc1cccc(Cl)c1NCCCC(C)(C)C	300855412	LNGMKJPEHIBTMH-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
Cc1cccc(OCCC2CCCCC2)c1C	302245200	HWUAVMQBBWJGDY-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CC[C@@H]1CC[C@@H](O)[C@H](CCC2CCCCC2)C1	302266753	QDPQDAYLKXHYDL-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)C1=CCCCCC1	302318439	GSHFGBVUWNDCKB-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)C)C1(C)CCCCC1	302379682	PJQVJSPNFKLLLW-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)c1ccc2c(c1)CC[C@H](C)N2	306090923	JKGXHUXERIIHIS-STQMWFEESA-N	231.383	4.583	0	10	BJAE	
Cc1ccc(Nc2ccccc2Cl)c(F)c1	309224935	BWOHPHWGAAOIMB-UHFFFAOYSA-N	235.689	4.531	0	10	BJAE	
CC1CCC(C[C@@]2(O)CCCC(C)(C)C2)CC1	310115377	GXPPHLMXZWHVBT-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)CC2CCCCC2)C1	310408785	MCPZQFIAZVXOAP-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CCc3cc(N)ccc32)C1	310767984	OHXGRWRSGFEMGF-RDBSUJKOSA-N	243.394	4.515	0	10	BJAE	
CC[C@@]1(c2ccccc2C(C)C)CCCCCN1	311020004	CBVVPBFBHMPQGU-KRWDZBQOSA-N	245.410	4.579	0	10	BJAE	
CCCC[C@@H](CC)C[C@](O)(CC)C1CCC1	322678379	JEELGMADPDEEMS-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1CCCCC1(F)F	381595311	FGUOINZZOGMBDE-LBPRGKRZSA-N	246.341	4.742	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)c1ccc(C)s1	384893333	YYCGPGFXCYGBSP-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1C[C@H](C)CC[C@@H]1C	386077209	BIHKOTQHZNCBGJ-QPSCCSFWSA-N	239.447	4.616	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2C[C@H](C)[C@H]2C)cc1	394041054	FFBJOPROQOQPDS-JJRVBVJISA-N	245.410	4.876	0	10	BJAE	
CC1CCC(C[C@]2(N)CCC[C@@H](C3CC3)C2)CC1	394142038	WHGOZMAHZNFPJT-GMGZGELVSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C(C(C)C)C(C)C	394859041	KDSUNUZVEDQORC-OAHLLOKOSA-N	242.447	4.882	0	10	BJAE	
CCCNCC/C=C(/C)CCC1=CCCCC1	395333241	TWHMTFVDHAVBKI-NVNXTCNLSA-N	235.415	4.603	0	10	BJAE	
CCC[C@](O)(CCC1CCCCC1)C(C)(C)C	395403054	DYSYROUIBLNBKB-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCc1cc2scc(C(F)(F)F)c2cc1F	396298490	MTTCXQQDIFIAPB-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)CCC1CC1	398242545	ZXORVXPOVIHBHG-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NC	402357290	WPBLVYDCOPVLFP-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C[C@@H]1CC=CCC1	402382166	ZLSWKOGORVPXJG-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
Cc1ccc2c(Cl)cc(Cl)nc2c1Cl	606291649	LWMXMAUASHXTAU-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCCC[C@@](N)(CC)CC(C)(C)c1ccccc1	686728602	MGPQYLBFBLZLPM-KRWDZBQOSA-N	247.426	4.652	0	10	BJAE	
CCCC[C@](N)(CC)CC(C)(C)c1ccccc1	686728604	MGPQYLBFBLZLPM-QGZVFWFLSA-N	247.426	4.652	0	10	BJAE	
CC1(C(=O)CC(C)(C)c2ccccc2)CCCC1	686739767	BUVBLXCOXNHACV-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCC1(CNCCC2(C)CCCC2)CCC1	687528714	GHHFCDXRUOMQCX-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CSc1cccc(N[C@H](C)CC2CCCC2)c1	689836777	MDWUYRAQJGDWOL-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CCC(CC)CC1(CNC2CC2)CC2(CCC2)C1	691486066	RXNQEYSYKJFMNA-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(CNC(C)(C2CC2)C2CC2)CCCCCC1	691841639	RPMYGYGUQNKOSF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)C1CC(C)C1	691941828	OUWDJWNIORJYOI-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C[C@H](C)CC(C)(C)C	696548923	DQYYWLMNXRAKJT-KBPBESRZSA-N	241.463	4.993	0	10	BJAE	
CCC(C)(C)CC[C@](O)(CC)c1cccc(C)c1	696681236	AGODDVLCSFKOIA-QGZVFWFLSA-N	248.410	4.809	0	10	BJAE	
CCCN[C@H]([C@H]1CC[C@H](C)C1)C(C)(CC)CC	701131822	BVVNIVAVRHMYDH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1ccccc1)C(C)(CC)CC	701153760	ITTDLVTXZLTBEW-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCC12CCCC2	703733477	SSWIKAYFRLTYIF-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(N)CC1CCCC1	704459793	LTGCYBOOAYXDKA-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1C1(CNC2CC2)CCCCC1	704804878	HUTGCLNVXIZJDK-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@]1(N)CCCC12CCC2)C1CCCCC1	704818437	MFHLOSVWMDSZML-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCCCC[C@H]1CC	704951407	LYWWGODTUNOFOZ-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC[C@@H](C)C1)C1CCC1	705364746	QLFRMYJDMFAQPX-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@@H]1CCCC12CC2	706246147	FYCFYDCTVVVTLI-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@@H](C)CC(C)C	708311033	CAGIPQLOOQKDNE-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCc1ccccc1OC[C@@H](C)CC(C)(C)C	709112539	PYGQSDNJKIMXCM-ZDUSSCGKSA-N	234.383	4.700	0	10	BJAE	
CNc1ccc(CC2CCCCC2)cc1Cl	709860892	HJBDKNJASOUNFB-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CC(C)NC[C@@](C)(C[C@H](C)C(C)(C)C)C(C)C	711171596	PIDMOGXCAYAIQM-GOEBONIOSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C[C@@H](N)C[C@@H](C)C1CCC1)C(C)(C)C	711193421	HNAVJMYFWARURD-YUELXQCFSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CCC[C@H](C)C(C)(C)C)C1CC1	711225463	LUQVIPLEVLJLHH-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@@H]1C[C@@H]1C1CC1	712897723	ARVJTLULNIWMQS-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
C=C/C=C\CCC(=O)C1CCC(CCC)CC1	713727219	XIANAROFULWWLI-WAYWQWQTSA-N	234.383	4.684	0	10	BJAE	
CCCNC[C@@]1(CC(C)C)CCC=CCCC1	719019532	RPNIDIGFIQYXBI-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)C)C1(C)CCC1	720772729	GBUPFSATTXFEIU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1c(C)csc1C	724971478	NOGHRBLVQNGYKD-OCCSQVGLSA-N	240.412	4.615	0	10	BJAE	
Cc1cccc(N(C)C[C@H](C)CC(C)(C)C)c1	1190809896	MWUNPFZUQYDPFB-CQSZACIVSA-N	233.399	4.504	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@@H]2CCCC23CCC3)C1	1658357236	WQUWBDHARIDMRM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CN1Cc2ccccc2[C@@H]1C	1659600768	NPNZOZVVKPTQRT-GJZGRUSLSA-N	245.410	4.780	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@H]1CCC12CCC2	1875438181	VJTDHFCLTRXCDY-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)CCCCC1CC1	1905394183	WQIPGZOXPPRZRB-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCC1CCC(O)(CCC[C@@H]2C[C@H]2C)CC1	1908553869	AQRJHCLGVHYKAC-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CC(=CCCNCC(C)C)C[C@H](C)C(C)(C)C	1912033458	AHFZNUSPCUYIAE-HNNXBMFYSA-N	239.447	4.641	0	10	BJAE	
CC(C)CC[C@H]1CCCCCCCC[C@@H]1O	1913397194	CNNHVGDYCBRADR-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)NC[C@H]1C[C@@]12CCC1(CCCCC1)C2	1915904733	IAPXNNNBZNADAV-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCCCCC(=O)[C@H](C)C1CCCCC1	1924086590	NRKXELOQWRTUJT-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC1CC(Nc2cc(Cl)ccc2Cl)C1	1932139981	VMAXHILTUFWIOJ-UHFFFAOYSA-N	244.165	4.594	0	10	BJAE	
Cc1cscc1N[C@H]1[C@@H](C)[C@H](C)CC[C@H]1C	1935907272	BYRQWLCLSMUYGY-KOXOONSLSA-N	237.412	4.539	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](C)C(C(C)C)C(C)C	1940252174	IDCHSYJAODQMRY-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCC[C@@H]2CC2(C)C)C1	1940880155	GMWDNNDXQROXPI-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)SC[C@@H](C)Nc1ccc(C2CC2)cc1	1941168356	YREFAMDYCKAXRK-GFCCVEGCSA-N	249.423	4.506	0	10	BJAE	
Cc1ccc(C(=O)[C@]23CCCC[C@@H]2CCC3)s1	1944220752	HHOZOQFPAPAVTK-DOMZBBRYSA-N	248.391	4.600	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)C(C)(C)C1CCCC1	1944646772	OKCDCMUSTZZPAD-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(c1csc2ccccc12)C(C)(C)C	1945624620	GWUWSVYOWRDXAJ-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1cccc2sccc12	1945969566	GOCPJCORLGVZKK-ABAIWWIYSA-N	248.391	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC(C)(C)CC(C)C	1946970754	GRFFLKWCACRHGX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)C[C@@H](C)CCC1=C(C)C	1949001316	JBCKBDGKIVOLJI-YXWQFLTLSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CCC[C@](O)([C@H]2CCC(C)(C)C2)CC1	1949451245	HGVVHZKSIRFPFN-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC1CC(CC(=O)[C@@H]2CCCC(C)(C)CC2)C1	1950918277	JDGGKPNYGCJLLR-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1cccc(Cl)c1Cl	1959205652	DRORDJXFJKPHRI-WCBMZHEXSA-N	244.165	4.594	0	10	BJAE	
C1=CCCC(CNCC2CCCCCCC2)CC1	1966017294	RCPLOROGYGBNOX-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCN(C[C@H](C)CC(C)(C)C)[C@@H](C)C1CCC1	1966565520	LETYILGOIGSLLD-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
C[C@H](CN1c2ccccc2C[C@@H]1C)CC(C)(C)C	1968232840	MMMMMZSIOWZGDW-KBPBESRZSA-N	245.410	4.510	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NC1CC2(CCCCC2)C1	1972429313	ZWMWQTWVIVVDOI-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)c1cc(C)cs1	1978524412	IPFVCYILMWTYIQ-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@@](C)(CNCCC)C[Si](C)(C)C	1978664341	OBBWJNDHZKVKOP-AWEZNQCLSA-N	243.511	4.521	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cc(C)sc1C	1985605099	GANKRPBLWZAKKM-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccnc(Cl)c1	1990097017	DOTPPDOVUHFKTI-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CCCCC[C@](N)(CC)CC1(CCC)CC1	1990631246	YYPVRRZWGSBQCA-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H](C)CCC	1993593148	HOUUYYCPXFISGO-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](Nc2ccccc2Cl)C1	1994914790	RUJJJRLASRMTBA-NEPJUHHUSA-N	237.774	4.577	0	10	BJAE	
C1=CCC(c2ccc(-c3ccccc3)s2)C1	1994919684	QBCUPLIEMCOLBO-UHFFFAOYSA-N	226.344	4.849	0	10	BJAE	
CC1([C@@](C)(O)CCC2CCCC2)CCCCC1	1995992509	YXTWNQDJQWZGTO-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)CCN[C@@H](C)C1CCC(C)CC1	1996556648	YXNXEMVOVOFCKM-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@@H]1CC(C)C	1998753877	YUAMCCCKVDOYHQ-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CC(C)=C[C@H](C)C1	2000366027	VXFMFCXLKLXMOB-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCC12CCC2	2001861889	DFJKRCJNMXJBJL-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCCCCCC[C@H]1N	2003117382	NOVRKDSYKRNWSQ-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](C(C)(CC)CC)[C@]1(C)C=CCC1	2003320476	HOBWOBPNMBEDPU-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(C)([C@H](O)CCCC2CC2)CC1	2007698881	VHPWCGXMYOAAHD-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC1CC(C(C)C)C1	2007761127	PVNXNMJMFMHDQC-KNIAUWFNSA-N	240.431	4.636	0	10	BJAE	
CCC1CC(CC(=O)[C@@H](CC(C)C)C(C)C)C1	2007765309	HJJFVJIMOCXGFX-NRXISQOPSA-N	238.415	4.700	0	10	BJAE	
CCCC(C)(C)C(=O)CC1CC(C2CCC2)C1	2007767710	PKSLPKXTRTWREF-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1cc([C@@H](N)C=C2CCCCC2)ccc1Cl	2007937520	OZHPYQDBGCVBNS-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
O=C(CC=C1CCCCC1)c1ccccc1Cl	2007990149	FCSXETLNIMFHLQ-UHFFFAOYSA-N	248.753	4.803	0	10	BJAE	
CCC1(CC)CC(N)(CCC[C@H]2CC2(C)C)C1	2009306727	PZUPMBMQFIOCKN-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](N)[C@@H](CCC2CCCC2)CC1	2009405341	YEBLYDQHVBOGDB-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@]1(N)C[C@H](C)CC[C@@H]1C(C)C	2009568913	JCCSKOYAJTVNNC-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
C/C=C/CCC[C@@H](O)C1CCC(C(C)C)CC1	2009593667	OVPMWLQXRLXHFD-XZJDITFYSA-N	238.415	4.556	0	10	BJAE	
C/C=C/CCC[C@]1(O)C[C@H](C)CC[C@H]1C(C)C	2009594759	SWTJQELSFGIMTG-OMJOCJKRSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)C(CC)CC	2010712182	HBEYMJHSQUMVSF-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C1=CCC(C)(C)CC1	2010713505	MZNDIKWKTBMHSQ-AWEZNQCLSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CCC[C@H]1C(C)C	2013262680	CPIFEWKCWNBJHR-PMPSAXMXSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H](C)C2CCCCC2)N1	2013520959	AASPWMMEKHSUJJ-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CC=C=CCCN[C@@H](CC)c1ccc(Cl)cc1	2014187325	HENGFSUUDLGGTB-CFLXJFERSA-N	249.785	4.502	0	10	BJAE	
CC(C)C(CCNC1(C)CCCCC1)C(C)C	2015359609	FHJDKKMFWWGRPO-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC[C@](C)(N)CC(C)(C)C)C(C)C	2015360658	KKWTYAXQWWXJRF-INIZCTEOSA-N	241.463	4.848	0	10	BJAE	
CCCC1(C[C@]2(O)CCC[C@H](C)[C@@H]2C)CCC1	2015640923	YEOJQXSLPRDIKP-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC1([C@H](O)CC2(C)CCCCC2)CC1	2015761191	UKVXZZSLOHSUBX-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cc(C)cc(F)c1	2016143616	GGWVWKFMHHQDFG-ZDUSSCGKSA-N	235.346	4.681	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC(C)(C)CC(C)C	2016145448	OPJSKBDHKPECPQ-HNNXBMFYSA-N	239.447	4.783	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCC2(CC2)C1	2018138150	CLSNMSDXIYHJSZ-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1(CCF)CC1	2018940394	WIOQSLSXEUHAAD-CYBMUJFWSA-N	242.378	4.548	0	10	BJAE	
CCCC1(CC2(O)CCC(C)(CC)CC2)CC1	2018962550	LJQGJGNWJIBDLY-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC1(CC2(CNC)CCCCCCC2)CC1	2019000472	BNUUXQDDCKEKFR-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCCCCN(C)C[C@H]1CCC[C@H]1C(C)C	2019285552	MKQAXRCLJDWDEL-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
CCc1ccc(N[C@H]2C=CCCCC2)cc1Cl	2019511859	ZBMQQYFNPWRQHB-ZDUSSCGKSA-N	249.785	4.813	0	10	BJAE	
CCCCC[C@@H](CC)N(C)[C@H]1C=CCCCC1	2019537741	VHKZAONOVPRLFQ-CVEARBPZSA-N	237.431	4.776	0	10	BJAE	
CCC1(CC)CCC(O)(C[C@H](C)C2CC2)CC1	2019689842	HWVYAHNUANYUFX-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1C[C@H]1C1CCC1	2022334966	QIPPWXCLZSIWKS-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](CCC(C)=C(C)C)NCC	2022389532	AARHDFKFUKOLHO-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCCCCC(C)C)CC(F)F	2023129028	DXVTTXOFYAFFGY-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC(C)NCC[C@@H](C)C[C@@H]1CCCC(C)(C)C1	2024095248	QBXVQOLIIZBUCP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CC(=O)c2sccc2C2CC2)C1	2025436629	XFTFFDYYFMEWGI-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H](C)C(C)(C)C	2026165339	AMENDODPZPGIOE-ZNMIVQPWSA-N	241.463	4.993	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)C[C@H]2CCC[C@H]1C2	2026245392	UFHBDZAIYFNDHT-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc([C@H](N)CC2(C)CCCCC2)c(C)c1	2027312533	WQOJNFAGUZLFIN-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
CCCCc1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]32)cc1	2027319261	KVFJCLCKAOVEIC-BHYGNILZSA-N	243.394	4.630	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1[C@@H](C)[C@H](C)CC[C@H]1C	2027792962	JBAOEWHWUAIJPQ-IKVITTDRSA-N	249.373	4.617	0	10	BJAE	
CCc1ccc([C@H](O)[C@H](CC)C(C)C)cc1CC	2028230916	ZFEZWJDWYLDOCV-SJORKVTESA-N	248.410	4.527	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1ccc(C2(C)CC2)cc1	2028596007	CHCPGKCIQOFHJG-BBRMVZONSA-N	245.410	4.564	0	10	BJAE	
Cc1ccc([C@@H](O)CCCCCC2CC2)cc1C	2028619489	SGYLWRLBMWVUHB-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)[C@@H]1CC12CC2	2028635178	XVTFJAQHRGUFOE-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1ccccc1CC(C)C	2028922486	PXLQNJMBEGWYKT-QGZVFWFLSA-N	245.410	4.631	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@H](N)CC2CCC=CCC2)C1	2030243426	WURBDQDHQOMISU-YQFWSFKMSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)CC(C)(C)CC3(CC3)C2)C1	2030280574	YIWUPYDCGOEGJO-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H]1CC(C)(C)CC2(CC2)C1	2030289296	XDKDSYVTVOHSLU-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CC1(c2ccc(NCCCCC3CC3)cc2)CC1	2032248251	WWNXDLZQRKOTOM-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)CC[C@H]2CCCC[C@@H]21	2034258944	IYCROWFDDCZORD-PVAVHDDUSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CCC[C@H](F)C1	2034892171	RIWJZWDWHUPHTL-OLZOCXBDSA-N	248.341	4.521	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@@H]1CC12CCCC2	2036096558	LQQDHRFVXLIRPK-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C1CC(C)(CC)C1	2036486339	CFYHYTCNDACHKG-AQFXKWCLSA-N	249.442	4.703	0	10	BJAE	
CCC[C@@](N)(CC1(CC)CCC1)c1ccccc1	2037104137	XKYXVMVVWIFQNB-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
C1=C(CCNC2(C3CC3)CCCCC2)CCCC1	2042946961	MLCILLHHBGIOKZ-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC=CCCC1)C1(C)CCCC1	2045320938	QVENGMHKVDDESY-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC=CCCC1)C1(CC)CC1	2045322512	FOFHKLCTNMVOLH-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](c1ccccc1)C1(CCC)CCC1	2045816147	PAZNSORPBMGYON-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)C[C@H]1CC12CCCCC2	2047058344	IHNNLSXEWJUBIF-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC(=O)C[C@@H]1CC12CCCCC2)C1CC1	2047059467	QGQNLYLRONRYCM-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
N[C@]1(CCC2CCC2)CCCCC12CCCCC2	2047559882	BSHNLXLFMIDVFG-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
C[C@H](CN[C@H]1CCCCC12CCCCC2)C1CC1	2047588172	XQLUFIHZNCIHGD-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@@H]1CCC2(CC2)C1	2049865989	OCXBUJSBVFTPSM-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H]1CCC2(CC2)C1	2049951006	LIJVMXMOFVQBPX-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
Cc1ccccc1[C@@H](N)C[C@H]1CCCC(C)(C)C1	2050451772	XSVMUSMWHRTUQR-ZBFHGGJFSA-N	245.410	4.601	0	10	BJAE	
CN[C@@H](CCCCC1(C)CC1)c1cccc(C)c1	2050462266	BKEAPJJZKYTBFI-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC[C@@H](C)C1)c1ccco1	2050527528	JVRGNQSWJSGHPP-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CC[C@@H](N[C@H](C)C1(C)CCC1)c1cccc(C)c1	2052332826	XCMNDNUTSWWYAQ-GDBMZVCRSA-N	245.410	4.614	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CCCCCCC1	2052502896	OILIAJMUQQBAEX-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)[C@H]2CCCCC23CCC3)C1	2053356589	FIKJWRAOVKIZFO-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(CC)c1N[C@H]1CCCC[C@H]1F	2055159825	OBCBAHGQYCYKEI-CABCVRRESA-N	249.373	4.504	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCC[C@@H]3CC[C@H]32)C1	2059393269	CRXPMWOCMLLYBF-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C2=CCC(C)(C)CC2)C1	2061112039	BNWXMJYTDIODJF-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@]2(N)CCCCCC2(C)C)CC1	2061117841	BVCQQWYAWZDFIW-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CCC[C@H](C)[C@H]2C)CC1	2061121479	GMOVBNTYOCGTGI-HWMZRRJGSA-N	249.442	4.523	0	10	BJAE	
CC1CCC(C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063534714	BTSLOIXJBGEEQG-KYVLXBHFSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C12CCCC1CCC2	2063831792	YSELCNDTFHUTEO-AQFXKWCLSA-N	247.426	4.565	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)CC12CCC(CC1)CC2	2065302591	JHFGLJXNNKWIRA-DKVOJFQGSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CC(N)(CC23CCC(CC2)CC3)C1	2065336960	HXVVBBVBHWCWDL-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](Nc1cccc(C(C)C)n1)C1CCCC1	2066345677	YYXOKQFVJQKMFQ-CQSZACIVSA-N	246.398	4.586	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CCCC2)[C@@H]1CCC1(C)C	2068344118	VBJLMWBJKLGMNI-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@H]2CCC3(CC3)C2)CCC1	2069339457	JJXUSDYOINLTGY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C2(CC3CCC3)CC2)C1	2069563673	JFJUHDFFCZYGRC-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C2(CC3CCC3)CC2)C1	2069567520	SBIOIFCNLCXAEL-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCCCC12CCC2	2070398193	LBQSDUKKGAPEMW-JKSUJKDBSA-N	249.442	4.824	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)c1cccc(C2CC2)c1	2072429823	SSSASJLQBCBVMS-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC[C@H]1CC[C@H](CNC2(C3CC3)CCCC2)CC1	2072799260	QXIADNARYOXYHP-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1	2074626242	IWHIWBZKOKBPGF-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCCCC23CCC3)CC1	2074650039	ZOXSCLMALWKRNQ-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H](N(C)[C@H](C)c2ccccc2)CC[C@H]1C	2074797660	SHYNZNVEMLZHHJ-DLTWYDFYSA-N	245.410	4.504	0	10	BJAE	
C[C@](O)(CCC1=CCCCC1)[C@@]12CCCC[C@@H]1C2	2075711314	XONGDHHKGMVWAM-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@@H]1C1CCC1)C1CCCC1	2079328615	MULPSJYXCSVJJW-UKRRQHHQSA-N	248.410	4.598	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@@H]2C[C@H]2CCC)o1	2079477818	VFXYDNJOAORGBA-TZMCWYRMSA-N	248.366	4.631	0	10	BJAE	
CCc1cccc(CC)c1NC[C@@H]1C[C@H]1C(C)C	2079619750	NAJUCMNHNQILDN-HOTGVXAUSA-N	245.410	4.515	0	10	BJAE	
CC1(CC[C@H](N)C[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079726238	RNBXRUTZOGQAAK-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)CCC2CCCC2)c1	2082941490	HAMBXINTYCRPML-KRWDZBQOSA-N	246.394	4.616	0	10	BJAE	
CC1(C)CCC[C@H](CC2(N)C[C@H]3CC[C@@H](C3)C2)C1	2082974803	CFTNGDMKHGMLMK-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=CC2CC(C)(C)CC(C)(C)C2)CN1	2082987379	QGVWQUIZCUKJFA-CYBMUJFWSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC(=O)[C@]1(C)CC=C(C)CC1	2211858625	ZJUFUCPCUONQTO-OAHLLOKOSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@@](C)(CCC)CN[C@@H](C)CC	2212593927	XPMBAQNCJMIDDA-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213285224	OVYSRIOHRZKXIB-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@@H](NC(CC(C)C)CC(C)C)CC1	2215833063	FFOYEIOHVWNZOR-OAHLLOKOSA-N	237.431	4.536	0	10	BJAE	
CC(C)=C(C)CN[C@H]1CCC[C@@H](C(C)(C)C)C1	2216252177	IPJVHDXWTYJTBQ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCC[C@@H](C(C)(C)C)C1	2216259409	UCRNVIANYWSYIZ-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)CCCC(F)F	2216418777	SCRWYMBSFKUQHO-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1C[C@](N)(CCCCCCCC2CC2)[C@@H]1C	2216861362	UYNZWXOEGADLQC-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@H](O)CCCCCCCC1CC1	2216907710	ZTSLXKDCVDQWLO-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@]1(C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCN1	2218353396	IDAWTLLEGYXBNV-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CC1	2218385620	NNTPHZYPWVMIDK-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
C1=CC2(CCCC2)N(CCCCCCC2CC2)C1	2218751366	WFMJNQZPZMSGEY-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
OC1(CC=Cc2ccccc2)CCCCCCC1	2219071871	QAJKYSMIJKIEHA-UHFFFAOYSA-N	244.378	4.565	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@]1(CN)CCCCC12CCC2	2220878881	OJMALYCFNNLTSC-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CC1=CC[C@](C)(NC[C@H]2CCCC(C)(C)C2)CC1	2221606839	JRYCFPCBDFJFAZ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2CCC[C@H](C)C2)CC1	2221645021	WAWZPVWMLDQANF-ZOBUZTSGSA-N	248.410	4.908	0	10	BJAE	
CCC1=CCC[C@]1(N)CCCCCCCC1CC1	2223128422	XTZVZKIBWGMHJB-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CNC2(CCC2)C1	2223131533	ZNWHPYGQGIUEDW-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCCCC1(CNC2CCC2)CCC=CCC1	2223596326	POYZINXJPQBLFM-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC[C@H](C)NCC1(C[C@@H]2CC[C@H](C)C2)CC=CC1	2223601032	YQPXEXNIAUMSHC-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)c1ccc(C2CCC2)cc1	2223706124	WHNCXFUIGSSETG-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC1=CCCCC1	2243256617	VIVNDUVNVNLPDX-GFCCVEGCSA-N	222.372	4.518	0	10	BJAE	
CCCCCCNCC[C@@H]1CCCCC12CC2	2246640052	WZKXDOODCTXDPN-HNNXBMFYSA-N	237.431	4.517	0	10	BJAE	
CCC(C)(CC)NCC[C@@H]1CCCCC12CC2	2246643246	PJGRUYSIECHVQI-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)CNCCCC[C@H]1C[C@H]1C	2247092039	MZLJCHHZPVBSKN-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC(CC)(CC)CNCCCC[C@@H]1C[C@H]1C	2247092042	MZLJCHHZPVBSKN-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@]1(O)CCCC(C)(C)C1	2247126050	BPSUNXRMPRDRFV-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CCCCC[C@@H]1C[C@@H]1C	2248873448	UZSQLRHIIDMSDH-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC(C)=C(C)C)NCC	2250361559	NTOISDYHVHKDLS-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@@H](N)CC[C@@H](C)CCCC(C)C	2250479170	QSDYSEWJZDRCQT-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCC(C)(C)C2=O)CC1	2251710357	BJCTZMDWGRCAGU-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCc1ccc2cc(Cl)ccc2n1	2252685509	IEARNUQHWKYUOR-NSCUHMNNSA-N	245.753	4.787	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](C)(O)c1ccccc1	2254546419	XBSCYYVANPQHJL-HLLBOEOZSA-N	246.394	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(CN)CCCC12CCC2	2254586736	PFDVAHPSCZJXQI-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CN[C@@H](C[C@H]1CCC12CCC2)C1(C)CCCCC1	2254835301	BIMFZLUWWXGLES-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)C[C@H]2CCC23CCC3)CCCCCC1	2254846746	OFESGTAEBBVUQY-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NC[C@@H]1CCC12CCC2)C1CCCCCC1	2254968723	NDXOLFKBGZYYKL-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](CNC)[C@H](CC2=CCCCC2)C1	2255094561	AYXKHWPCHUBMPX-OIISXLGYSA-N	249.442	4.539	0	10	BJAE	
N[C@@H](CC[C@@H]1CCCC12CC2)C1CCCCCC1	2255254082	QJLFSQWBHHHSJK-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)[C@H]1CC12CCC2	2256410197	KJBXACMHXRAVHF-UKRRQHHQSA-N	243.394	4.548	0	10	BJAE	
O[C@H](CC1=CCCCC1)C[C@]12CCCC[C@H]1CC2	2260605907	DMQUXHGFRPFQMR-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@]1(C[C@]23CCCC[C@H]2CC3)CCCN1	2260677125	CUPFQCJPCLRJCL-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)C[C@@]12CCCC[C@@H]1CC2	2260678353	KUKYQLGLDQYBBK-WCXIOVBPSA-N	249.442	4.502	0	10	BJAE	
CC(C)(C)CC1CC([C@H](N)C[C@H]2C=CCCC2)C1	2261197292	QTWYXZYVXYAGQJ-SLTXQBBLSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CCC1CC(C)C1	2261498478	XUMGBEYLRCTLHY-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC[C@@H]1C[C@@H]1CC)NCC	2298126953	KVLFJCQTKZQHQR-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@@H](C)CC1CCC1)C(C)(CC)CC	2298872163	XUAAOBCHVITCNX-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@H](C)CC1CCC1	2298903905	DGWFZVPJLQLZNB-UKRRQHHQSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CC1CCCCC1	2300868856	CLGTWWUHCYMUKU-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CCC[C@H](CC1CCCCC1)NC	2300903567	FYDQJHQRQPCKFU-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@@H](C)[C@@H](C)C(C)C	2301868396	YYBJFUGVCFSWMZ-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)CC1CCCCCC1	2301958398	KJSNIDOFUPMFAA-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CCCC1=CCCCC1	2302356199	KQMWWROVTSFSRA-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCCC[C@H](N)CCCCC1CC1	2302569076	GIQNSNYHCDKGCG-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CC[C@@H](CC2(CN)CCCCCC2)C1	2302900282	CSIRMRMSTJEICP-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303488892	BCVCMMLPSHBGCO-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
CCCNCC[C@@H](C)C[C@H]1CCC(C)=C(C)C1	2303520447	AVQOAYWPQKWEIU-CZUORRHYSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](CC1CC1)C1CC1	2303666973	AMXKIRHGDAACOK-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CC1(c2nc([C@H]3CC34CCC4)cs2)CCCC1	2304487170	PGUQIRLDCGLRSG-LLVKDONJSA-N	247.407	4.632	0	10	BJAE	
CC=CCCC[C@H](C[C@H]1CCC[C@@H]2C[C@@H]21)NCC	2310191665	ILBICBJZIKFBRN-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312958483	RJSKQUBRZXAQEV-XTZTZFPZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@]1(C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCCN1	2313183693	VFXBTEPSARISHO-VVLHAWIVSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CNC(CC2CC2)CC2CC2)CC1	2313585416	XFTNNYZGGAFCPM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@H](C)CC1CCC1	2313674353	YIDGSGNESPHOSE-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CC[C@]1(C)NCC[C@@H]1CC[C@H]1CCCCC12CC2	2315195312	KYELESUJVKUVHO-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
CC(=CC[C@@]1(N)CCC12CCC2)CCCC(C)C	2316521018	SFXLXZFFDAGAPA-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H]1C[C@H]2CCC[C@H](C2)C1	2316535034	FXFLFPQYNDKBAO-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@H](NC)C1(C)CCC2(CC2)CC1	2316540175	RPRUYGVWRVLLAD-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H](C)C(=O)CC(C)(C)Cc1ccccc1	2317283076	IZTGMLYQBZVVGC-CQSZACIVSA-N	246.394	4.507	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](CCC1=CCCCC1)NC	2317979350	JHUWQGACEVUCRQ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)C1CC(C)(C)C1	2318582668	GIZRDGYLFLLRND-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
Cc1coc(C)c1[C@@H](N)CCCC1=CCCCC1	2318594600	HKQRIZYCFYZEHT-HNNXBMFYSA-N	247.382	4.567	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H](C)[C@H]2CCC2(C)C)CC1	2320229993	CFUVPHXMGMAAPE-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](COc2ccc(F)c(C)c2)CC1	2320388851	UWBSTVBOAKKESU-AWEZNQCLSA-N	248.341	4.649	0	10	BJAE	
CC1(C)CC[C@@H](CCN[C@@H]2CCCC23CCC3)C1	2321528247	IRFZMYGPMCCEJK-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC(C)(C)C1)C1CC=CC1	2321633387	YDUYQVSEDBDJKS-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1C(=O)CC[C@@H]1c1cc(C)ccc1C(C)C	2327781376	JEZGUVBUKNVTKT-HIFRSBDPSA-N	244.378	4.591	0	10	BJAE	
CCCCCC[C@H](C)Nc1cc(C)ccc1OC	20520026	ZGLPNSOXUXZLKR-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
Cc1ccc([C@@H](C)NCCC2=CCCCC2)s1	20562860	UBJRJSSNIMCBEM-CYBMUJFWSA-N	249.423	4.598	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cc(F)ccc1C	22145865	ZQWMHPQOUXSKAO-BXUZGUMPSA-N	237.362	4.761	0	10	BJAE	
CCC[C@@H](C)CN[C@H](C)c1ccc(C(C)C)cc1	37044253	LOEHINVYXXEGDX-HUUCEWRRSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@H](C)Nc1cc(Cl)ccc1Cl	37188138	GHZLAENGYAWMTL-VIFPVBQESA-N	246.181	4.984	0	10	BJAE	
CC(C)(C)c1ccc(-c2cccnc2Cl)cc1	41296796	KXFFUVCAFDWWPS-UHFFFAOYSA-N	245.753	4.700	0	10	BJAE	
CC1(C(=O)c2ccc(C3CCCCC3)cc2)CC1	71551485	DXOUFGFUYSMEFB-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
Cc1cccc(C)c1Nc1ccccc1Cl	82715117	YABURTWARYKJFU-UHFFFAOYSA-N	231.726	4.700	0	10	BJAE	
C[C@H]1C[C@H](Oc2cccc(Cl)c2)CC[C@H]1C	85150634	KFQATFYKUBJJBY-UHIISALHSA-N	238.758	4.544	0	10	BJAE	
CCC[C@@H]1CCC[C@H](Nc2ccccc2F)CC1	86922638	SNSRVKMROGZKMN-KGLIPLIRSA-N	249.373	4.987	0	10	BJAE	
CC(C)CC[C@H](O)C1CCC(C(C)(C)C)CC1	87985464	YHLNGLOEVVQOGI-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
C1CCC([C@@H]2CCCC[C@H]2NCCC2CC2)CC1	88454949	YKRPGWYRSPDHLJ-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](NC)c1ccc(C(C)(C)CC)cc1	90483220	JMSVVKXZNLKFGK-BBRMVZONSA-N	247.426	4.681	0	10	BJAE	
Cc1nc2c(Cl)c(Cl)ccc2cc1Cl	96662723	GHTNXGLOEXGVCI-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCCC[C@H](CC)C[C@](N)(CC)c1ccccc1	109706341	VOGJALQQJBFLTN-DOTOQJQBSA-N	247.426	4.857	0	10	BJAE	
CC(C)C[C@H](CCC(C)(C)C)CNC(C)(C)C	110183857	JPOPCJKYBIWCKK-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1ccccc1C	111817353	YILXHCDDVWSBLW-HOCLYGCPSA-N	234.383	4.635	0	10	BJAE	
CCC1CCC([C@@](C)(O)C2CCCCC2)CC1	122080143	ISUAZOLOTXLKGL-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CN[C@H](C)c1cc(C)c(C)cc1C	124833992	JQQATZOWUKYMDH-OAHLLOKOSA-N	247.426	4.699	0	10	BJAE	
CCCCCCC(=O)c1sccc1Cl	133694967	IADXVPFBDNDQSA-UHFFFAOYSA-N	230.760	4.555	0	10	BJAE	
CCCc1cccc([C@@H](CCC(C)C)NCC)c1	157889137	TXEGCZYYTWKSGM-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)C1CCC(C)CC1	167874814	WVYOKZJNPYDLJM-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCc2[nH]c(C3CCCCCCC3)nc21	216979825	NLXQARUMSZIZIN-LBPRGKRZSA-N	246.398	4.677	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H]1CCCCC1(C)C	226552893	UPSNLJVHBXVBOQ-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCCCC1(C)C	226913348	XUROFQUCTCBWOZ-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
Fc1ccnc(-c2ccc(-c3ccccc3)cc2)c1	227689698	RPNZEJXELCYQCX-UHFFFAOYSA-N	249.288	4.555	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)(C)C)c1ccccc1C	229429366	OPGXIEKQWMWMCP-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
Cc1ccc(N[C@H]2CCC23CCCCC3)cc1F	230162199	VKADGJFWEHHRBC-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCC[C@@H](C(C)C)C1	231019896	WYFXWIVOXMMLJX-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)[C@H](C1CCCC1)CN2	232511895	GQUYVZLAIUTDAS-HNNXBMFYSA-N	243.394	4.683	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1CNc2c(Cl)cccc21	232621062	UEYSJXWDNWZJCE-CMPLNLGQSA-N	237.774	4.531	0	10	BJAE	
CCCC(C)(C)NC[C@H](c1ccccc1)C(C)C	232901486	WLZFYKLHSKLSFQ-INIZCTEOSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(C)c(Cl)c1	233348638	JMFXQAWTLYDLML-NSHDSACASA-N	225.763	4.639	0	10	BJAE	
Cc1cccc2scc(CSC(C)C)c12	257881337	KFUZEYBELUSYCP-UHFFFAOYSA-N	236.405	4.851	0	10	BJAE	
CCCC[C@H](C[C@@H](C)CC(C)C)NC(C)C	300870357	HNGRIXCHOBLTAX-LSDHHAIUSA-N	227.436	4.616	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1ccc(C(C)C)cc1	308012689	CNQBZVCQNDZUDS-WMLDXEAASA-N	248.410	4.916	0	10	BJAE	
CC1(CNc2cccc(Cl)c2Cl)CCC1	308953559	YKLDRRUKFUXGEJ-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CCCC1([C@@H](C[C@H](C)CC(C)C)NCC)CC1	310265555	HFQLHMFQZACJDF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc2c(ccn2CC2(C)CCCC2)c1	310400033	MVHHJLMJGVBQEH-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCCN[C@@H](CCC)CCCC1(C)CCCC1	310490395	FTTNRXMVQHCHIR-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCc1nc2ccccc2n1[C@@H](C)CC(C)C	310746380	JDYVBUOJTKTUNG-ZDUSSCGKSA-N	244.382	4.596	0	10	BJAE	
CCCC[C@@H](NCCC)c1ccsc1Cl	312571980	LMGQZXXRDAWASX-LLVKDONJSA-N	245.819	4.632	0	10	BJAE	
CCC(CC)C[C@]1(CNC)CCC[C@@H](CC)C1	316888289	MWRUBNOURHDXAQ-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)NCC1(CCC2=CCCCC2)CCC1	318546638	LMUDTBPRVXERCZ-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CC[C@](CNC2CC2)(CC2(C)CCCC2)C1	319086194	SFXKIPBBACSUKF-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@H](C)[C@H]2C[C@H]2C)cc1	321988512	DTPSQBMQWRGGSG-OEUWWYETSA-N	245.410	4.505	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](O)(CC)C1CCC1	322678078	JEELGMADPDEEMS-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](CC/C=C/c1ccccc1)NC	324270063	LBXNZJMRGDBPJU-JZUUQJBKSA-N	245.410	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(O)CC1CCC(C)(C)CC1	380038102	IJDNLBUMPPDLLU-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](N)CCCCCCCC(C)C	383159955	IVMXQZKCCPSYJS-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
CC(C)CCCCCOc1cc(F)ccc1F	383233782	HSTHLCHGANRSGM-UHFFFAOYSA-N	242.309	4.560	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCCC[C@H]1CN	383245245	VRKSCNDNVIUPLT-CVEARBPZSA-N	239.447	4.748	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNc2cc(C)ccc2C)C1	394554408	HETYXVWJZCFRFY-JKSUJKDBSA-N	245.410	4.932	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCCC12CCC2	394785782	UDOKSHQJZPCTJT-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NCCCC1CCCCC1	395258226	HVZJQYCJZHSUGP-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC(C)(CN[C@H]1CCC12CCCCC2)C1CCC1	395419940	BHRAUCWMWIQSIO-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
COc1cc2c(C(F)F)csc2cc1Cl	396294559	SDXUTOQRUONPBF-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1c(C)sc2cccc(C(F)(F)F)c12	396306834	QAYRACPUKCSWSR-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CSc1c(C)ccc2sc(C(F)F)cc12	396406700	NJAQDTPIJRJUIC-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCN[C@@H](CCC1CCC1)c1ccc(C)cc1C	398642400	AFRIFJNTNPEJOV-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CCCC1CCC1	688894460	LXNFQCVAIYYVBC-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CCC[C@H](NCCCC2CCC2)CC1	688993868	SULXTKFHXQGWAZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@@](C)(O)CC1CCCCC1	689717633	RWLGHRBBGCNKNA-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](Nc1ccc(C2CC2)cc1)C1CCCC1	690120204	LQNZMWCULNHONY-KRWDZBQOSA-N	243.394	4.945	0	10	BJAE	
C[C@@H](Nc1cccc(C2CC2)c1)c1cccs1	690164584	ORICFUUZJPCOIS-LLVKDONJSA-N	243.375	4.799	0	10	BJAE	
CCC[C@H](CC)Nc1cc(C)c(Cl)c(C)c1	690263012	QQCBYZNYAJZXHI-LBPRGKRZSA-N	239.790	4.947	0	10	BJAE	
C[C@H](C(=O)c1ccc2sccc2c1)C(C)(C)C	691864466	ICLDVZJQNYVLGT-SNVBAGLBSA-N	246.375	4.766	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@@]12CCC[C@@H]1C2	693155307	ZLEKSSUPJLULAO-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)C(C)(C)CC	695106535	KMUOSXMEEBVZHI-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@]1(N)C1CCCCCC1	704467136	WEJFHHSXTKGZTB-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC[C@@H](C)C1)C(C)(C)C	704916424	WVISJJZBZYFPLK-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(CN)CCCCCC1	709081702	QVSYPNIYHCOKAZ-AWEZNQCLSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C12CCC(CC1)C2	710849704	MRUVBYNRNDPCJX-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)c1cc(Cl)cs1	713267070	NHIBDSWZWIGQRI-SNVBAGLBSA-N	246.803	4.507	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C[C@@H](C)C(C)(C)C	713355296	IOVISVHVWUJGRL-GFCCVEGCSA-N	226.404	4.700	0	10	BJAE	
CC/C=C/C[C@@H](C)c1c(F)cccc1Cl	714547599	YYTCJEVLIKFLSH-ORAHPGNNSA-N	226.722	4.939	0	10	BJAE	
CSc1ccc([C@H](N)CCC(C)=C(C)C)cc1	718511886	GQOFTKBIYKVVGP-OAHLLOKOSA-N	249.423	4.545	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)CCCc1ccccc1	718605323	MOLMMKMXBJTVPF-KRWDZBQOSA-N	246.394	4.507	0	10	BJAE	
CCCCCC[C@]1(CNC)CCC=CCCC1	719000314	WAFQYKTWWPXCLW-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CCCC[C@]1(CNCCC)CCC=CCCC1	719017622	IOYMLCTYOJNFLU-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@H]3CCC[C@@H]32)c1	722082814	VRFSXIMPDZQEDP-XOKHGSTOSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc(O)cc1-c1cccc2sccc12	1244450193	PCFLZIGGEZDYHK-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCN(CC1CCC2(CC1)CC2)C1CCCCC1	1307412864	JKVNLSXNIMAHOT-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H](CC)S[C@H](C)CC(C)C	1459060951	GGYIQLPKTOOOCK-NEPJUHHUSA-N	202.407	4.733	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2CCC3(CCC3)CC2)CC1	1621256141	CXHUFGJLFBTUDN-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)CCC(=O)C1CCC(C)CC1	1900711409	DDQPAFVSUQIOBU-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC=C(C)CC	1900884694	XCUDHIJDBFMFST-CABCVRRESA-N	226.404	4.556	0	10	BJAE	
Cc1cc(-c2cccc3c2CCCC3)cs1	1901894071	CMBRVZMFXJNJAH-UHFFFAOYSA-N	228.360	4.602	0	10	BJAE	
CCC[C@H](CC)COc1ccc(Cl)c(F)c1	1905291277	CPEWNRGUAPNICR-JTQLQIEISA-N	244.737	4.684	0	10	BJAE	
CCCNCCC=C(C)C[C@H](CC)CCC	1905367427	WYKIRWAJIVDRTG-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906544297	YWISGLKWWMJAMO-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1coc2c(Cl)c(Cl)ccc12	1907243811	FQGJXAZULPABGI-UHFFFAOYSA-N	229.106	4.863	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@@H]1CCC[C@@H]2C[C@H]12	1907719387	LIGVMKZFPVBKCL-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@H]1C[C@H]1CCC	1910731321	KPOZHHMHBZKLII-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC(=C[C@@H](C)C1CCCCC1)C[C@@H]1CCCCN1	1911851051	AGVAYBBNPWKHQE-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(=CCCNC(C)(C)C)CCCC(C)(F)F	1911892685	VGFZQYUZRBYDLA-UHFFFAOYSA-N	247.373	4.536	0	10	BJAE	
C=CC=CCCC1(CNC(C)(C)C)CCCCC1	1912122662	LUDSHFRGNRWFPD-UHFFFAOYSA-N	249.442	4.847	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCCCCC1=O)C1CC1	1913384024	ISFBUDMWRPXXOK-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCCNC[C@]1(CC2CCCCC2)C=CCCC1	1916569661	SPVXQCSNUPLVBP-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CN[C@H](CC[C@H]1CC1(C)C)C[C@H]1C=CCCCC1	1925802811	OCBSILQIDGOZEC-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
O[C@@]1(C[C@H]2C=CCCCC2)CCCCC12CCC2	1925918158	RIGGHMQVRQHSLT-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCCC1)CC(C)(C)C1CC1	1925923598	NWGKFPHLKDQHBT-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CCC1(C)CC1	1935871712	IFMIFWNKCPILEM-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](CC(=O)CCCC1(C)CC1)C(C)(C)C	1935939793	LDHYIMCPDUSPTG-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)=C(C)CCc1cnc(C(C)(C)C)s1	1936347596	AZOIIWOQCQBMJC-UHFFFAOYSA-N	237.412	4.730	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)c1cscc1C	1938842692	LWFVWIZCNMSABC-TZMCWYRMSA-N	240.412	4.552	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H](C)C1CC1)NCC	1940717498	BLJHQOLIAFAVQY-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CSc1ccccc1NCCC[C@H]1CC1(C)C	1940872892	AGQUUTSZVGGKGS-LBPRGKRZSA-N	249.423	4.647	0	10	BJAE	
CC1(CCC[C@@H](N)CC2CCCCCC2)CC1	1940877545	RIGRNUUDFRKWPW-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@@]1(CNCC)CC=CC[C@H]1C	1940953821	KJUCBWMZZJCEAM-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@H](CC)C(C)C	1941270970	ABFKCNRIMWVUBJ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1CCCC1CC1	1941687928	QDFVZKCBVRJGIP-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC2(C)CCCCC2)C1	1941985337	INDHTBSLEPGXIM-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@@H](C)CCC(C)C	1942657691	ODYRHCHXMQPLRU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)C[C@@H](C)C1CCCCC1	1944661498	UFPPBVHZMQXRPT-HIFRSBDPSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)CC1CCC(C)CC1	1947514791	ILPRUWQLQHPQTC-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(O)CC1(C)CCCCC1	1947521791	DXWCANHUCPQUGS-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@@H]1C=CCCC1	1947576788	QJNIXZAGZCSYCS-BZUAXINKSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H]1CCCCC12CCC2	1947878058	DJSYMLGUBQESKZ-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)NC1CCCCCCCCC1	1947881636	RBEMHOQATMVKST-HNNXBMFYSA-N	239.447	4.904	0	10	BJAE	
CCC1(CN[C@@H](C)[C@@H](C)CC(C)C)CCCC1	1948326956	NNXZCARRLTVARM-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1cscc1N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1	1948586141	LYGQMGMTUUVBKH-GUTXKFCHSA-N	249.423	4.827	0	10	BJAE	
CCCN[C@@H](CCC)CCCC[C@@H]1CC1(C)C	1948849078	QOSSUZHOAQCRKR-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CCCC[C@@H]1C(C)(C)C	1949025461	VTZJCAYCQUYQTB-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCCC1([C@@H](N)CC2(C)CCCCC2)CCC1	1949072191	MVEDUNWYMIFODY-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)NC1CC2(CCC(C)CC2)C1	1950545934	UYQXPGRJXHHZSV-KXVRIMHRSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](C)NC[C@H]1CCCCC12CCC2	1967865712	XIZJDMBHZNOOMH-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C)c(NC2CC(C(C)(C)C)C2)c1	1968230868	XEXKMVFDUZVZFT-UHFFFAOYSA-N	231.383	4.540	0	10	BJAE	
Cc1cc(F)cc(NC[C@@H]2CCCC3(CC3)C2)c1	1968588546	BHFYZGCLDRVPJK-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CCCC1CCC([C@H](C)N[C@H]2CC23CCC3)CC1	1970002278	BTIPXNAFUOJDOG-LBDPXKHJSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@H]1CCNc1ccccc1C1CCC1	1973429908	MGELFNGCKKEUEB-CQSZACIVSA-N	243.394	4.802	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CC=CCC1	1976654624	NNRXBSLGEHENLI-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](CC)(CN)C(C)C	1986417843	AQXPXJYIFRPJQZ-CABCVRRESA-N	227.436	4.604	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)CC1CCCCCC1	1988300847	SPMPGPSNUJLJOS-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)C1CCCC1	1990093293	JMNPLSPRMDLVFI-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@](O)(CC)CCCC(C)(F)F	1990093919	PXDYLFMHCLHBJL-CYBMUJFWSA-N	236.346	4.533	0	10	BJAE	
CCCCC[C@H](CC1(CCC)CC1)NCC	1990644147	DGKHQERKVDBLHN-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H](C)C1CCC1	1991161570	ZVUZNFVHLDGDKE-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C2(C)CCCCC2)C1	1995985466	JPYCFXORJZACCH-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@]2(O)CCCC(C)(C)CC2)C1	1996263590	AZYDSEVGRBZGJP-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC(=O)CC1CC(C(C)(C)C)C1	1998235164	RYOMXDQIOGLIEM-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC[C@H]1CC(C)C	1998746435	SZKFJCRQTYZMMR-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNCCC)CC1(C)CC1	2002514382	HJYNYXMVRDQGAQ-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCCN[C@@H](c1cccs1)[C@]1(C)C=CCCC1	2003322932	SEKSUSPEDRFVIC-LSDHHAIUSA-N	249.423	4.535	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCCCC12CCC2	2005563352	JSZHLCGKKSCMQR-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC1(C[C@@H](O)C2(C)CCC(C)CC2)CCC1	2007698354	SLRBEHRYRSGOMU-SHARSMKWSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CCC1CC(CC)C1)NCCC	2007737878	JIBRVJZUWLUCQV-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC(C)C)C1CC(CC)(CC)C1	2009298244	GUYXTMPPSFQUNR-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](C)CC[C@@H]1N	2009417984	CWNLSNQVEVOEKR-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](C)C[C@H](NCCC)C1	2009618465	BWDLEJMKSXXDHL-VTTDZUNHSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C1=CCC(C)(C)CC1	2010725083	GCLZOSCXCUKZMD-ZFWWWQNUSA-N	237.431	4.667	0	10	BJAE	
CC[C@@](CNC(C)(C)C)(CC(C)(C)C)C(C)C	2012418942	IYDDRDMQFYYGEH-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CCC)CC12CCC(CC1)CC2	2012823477	ZYANAMHKCFMWKB-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	2013263347	GXWZEQJZFBBSGE-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H](C)C1(C)CCCC1	2014339742	NNPFEGSXRGEKMF-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](CCC(C(C)C)C(C)C)N1	2015344958	NCYJGEBPNGOYEE-HUUCEWRRSA-N	239.447	4.616	0	10	BJAE	
CCCC1(C[C@H](CC2CCC2)NCC)CCC1	2015641215	BFMNEITYJUMDRL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1(CC2CCC2)CC1	2015791703	DXYZNSWUPJYIOI-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(N)CCC=C(C)C)C1	2016114532	IBMIIXMICXAFEP-OWCLPIDISA-N	237.431	4.667	0	10	BJAE	
CC(C)C1(CC(=O)[C@@]2(C)CC=CCC2)CCC1	2017123229	KUXKQZDUBGRJCO-HNNXBMFYSA-N	234.383	4.518	0	10	BJAE	
CCC1CCC(C[C@@H]2CCCC[C@@H](O)C2)CC1	2017714102	DKAWWOZUAMXGEU-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@H]1CC[C@H](C)CC1	2017726500	ZJWIEIJPTDNZHG-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H]1C=CCCCC1	2018137891	ZTGOUUJKAABIBI-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CCCC[C@H]2CC)CC1	2018965216	PDYRGIPFPJECMA-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCN(C)CCC1=CCCCC1	2019342264	KNJOVBFJNAMLEJ-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CCCC[C@@](C)(CNCC)[C@@H]1C=CCCCC1	2019504471	AGFRRAWUQCDDFA-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC=C(CC)[C@H](NC)c1ccc2sccc2c1	2020973552	GVAYNTKPWYQVBE-HNNXBMFYSA-N	245.391	4.518	0	10	BJAE	
Cc1nc2c(C3CCC3)cccc2c(Cl)c1C	2021028883	YPRRMBSCHDGIFY-UHFFFAOYSA-N	245.753	4.773	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1C[C@@H]1C1CCCCC1	2022418022	SGOUZZKKUJBBLV-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC(F)F)NCCC	2023129043	FCUBLLWGRVRTOO-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCCCCC[C@H](CCCCC(C)(F)F)NC	2023287438	ILKQUXFAYIRBJP-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
CC(F)(F)CCCCC1(O)CCC(C)(C)CC1	2023312490	VSOHZULAFRVUTL-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CC(C)(CNCCC1=CCCCC1)C1CCCC1	2027705218	RKWVQDOCIXYAGO-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
O=C(CCCC1CC1)c1ccccc1C1CCC1	2029079943	BGEUDBSGFXZOHK-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
C[C@H]1CCC[C@H]1CNc1cccc2ccccc12	2032513290	GRPWIWMSGVWPCY-ZFWWWQNUSA-N	239.362	4.688	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1CC(C2CCCC2)C1	2033763821	DTBUENJVVWBXEJ-YJNKEBTESA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N)c(-c2cccc(C(C)C)c2)c1	2034361013	ZTUWJOQOLDSOJO-UHFFFAOYSA-N	239.362	4.622	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2035552804	RQXGDCRRPLVRMC-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2CCC=CCC2)CC1	2037207860	IUSRDHNTSGUPDU-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)C[C@@H]1C=CCCCC1	2037273389	RJBGMSYFFYUBBA-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
O=C(CC1CC2(CCC2)C1)C[C@H]1C=CCCCC1	2037976023	FPESYTOFILXRON-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)CC1CC2(CCC2)C1	2038078193	IDWDJCPZAAXGPU-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1ccc(F)cc1C	2039446488	GYGHUSFUMKSHFR-WFASDCNBSA-N	247.357	4.538	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCCC1)C1(CC)CCC1	2039726851	PDZKNASEFGPBBR-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@]1(N)CCCC2(CCC2)C1	2041291177	XFEHSOQTQBDMCR-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](c1ccoc1)[C@@H]1CCC[C@@H](CC)CC1	2041380902	WKZLABYSVUPNHI-FMKPAKJESA-N	249.398	4.537	0	10	BJAE	
CC1(C)C[C@@H]2[C@H](C(=O)C23CCCCCC3)C1(C)C	2042340136	UNBPQZHPSBODNQ-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@](C)(O)c2ccccc2)C1	2045374468	LKJDQOOXDNRCRI-YOEHRIQHSA-N	246.394	4.501	0	10	BJAE	
C[C@H]1CCC[C@H]1CNC1CC2(CCCCCC2)C1	2046230650	VQILEIDIVPFCFM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCCN(C[C@H]2C=CCCCC2)CC1	2046575904	WBBJYJUYKFJDQD-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
CCCC[C@H](C=C1CC[C@@H]2CCCN[C@@H]2C1)CC	2048079161	XARYLLYMRWXYSV-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@H]2CCCC3(CC3)C2)C1	2049936982	ZBULQXDLBHNHKY-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CCCC3(CC3)C2)c1	2049949615	AHKNAKHXVUOQCX-AWEZNQCLSA-N	242.362	4.538	0	10	BJAE	
Cc1cccc([C@H](O)CCCC(C)(C)C2CC2)c1	2050425688	ISCDHPSWJQKUDO-MRXNPFEDSA-N	246.394	4.635	0	10	BJAE	
Cc1ccccc1[C@H](O)CC1=CCCCCCC1	2050439477	BIISSGCUMWUFIO-QGZVFWFLSA-N	244.378	4.699	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCCC(C)(C)C2)cc1	2050450528	OLLOCGBUXPAISA-AWEZNQCLSA-N	244.378	4.784	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1CC(C)=C[C@@H](C)C1	2051409087	OAKSETMMWIWOMF-HYVNUMGLSA-N	249.442	4.703	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)C1(C2CCC2)CC1	2051911970	QLBQZZBSCHOARB-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
CC1(C(=O)CC[C@H]2C[C@@H]2C2CC2)CCCCCC1	2052499938	AWIIZJLGUAOHST-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CCCNC[C@]1(CCC2CC2)CCCCC12CC2	2053360153	URHLOIHMMJGVGR-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)[C@@H]1CCCC12CCC2	2053363846	AMLYHDDTBQAXOY-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)[C@H]1CCCCC12CCC2	2053410287	DWIZWPGEQAFTSX-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC(C)CNCC1(C2CC=CC2)CCCCCC1	2053694848	PZHLGYYKCUEHSR-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCc1cccc([C@@H]2CC(=O)C[C@@H](CC)C2)c1	2055138946	PXVLLOVRWUIJLR-BBRMVZONSA-N	244.378	4.502	0	10	BJAE	
CC1CCC(C)(CNC[C@H]2C=CCCCC2)CC1	2056539611	NHKOLNCDQHOTBJ-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)C=C2CCCCC2)CC1	2056878698	MVRNHJPBGYIQBT-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC2(C3CC3)CCCC2)C1	2057604048	NHVWPUDPDMZXGB-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1CC[C@H](CCC2=CCCCC2)[C@@H]1CC	2058733983	JHSUDAJLZRPKLP-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)c1c(C)coc1C	2059176949	FODIBSPBMLCZSO-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
CC=CCCC[C@H](N)c1ccc(CC(C)C)cc1	2059208584	XJCVKGCZPVJQNL-KRWDZBQOSA-N	245.410	4.631	0	10	BJAE	
CC=CCCC[C@H](NCCC)C12CCC(CC1)C2	2059226222	XGYHMZIXPBHZAP-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)[C@@H](C)C2CCCCC2)CC1	2061113523	PKLGAXONNKJGRH-ZQIUZPCESA-N	249.442	4.667	0	10	BJAE	
CCCC1CC(C(=O)CC2CC(=C3CCC3)C2)C1	2061695851	IQKMWEMQPMMLFM-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C2CC(=C3CCC3)C2)CC[C@H]1C	2061731769	WRMAFMDHNBVPMA-DYEKYZERSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC1(N)CC(C2CCCCC2)C1	2062650754	GIPDKNQRROKSPN-XNGJBWTFSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(NCC2C[C@@H]3CCC[C@H]3C2)CCC1	2063406024	JYOUIWHMWWICSN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCCC(C)(C)NCc1ccc(C2CC2)cc1	2066383290	OHCWSOWXNMVXGC-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
Cc1ccc(NC2CC(CC(C)(C)C)C2)c(C)c1	2067983560	VAKPOJWHUXJREV-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
CCN[C@H](CCC1(CC)CCC1)c1ccccc1	2069279885	CNJVYVQLYOJVQK-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CC(C)C1CC(CC(=O)C2(CC3CC3)CCC2)C1	2069510006	YEUAOFGLKJCGJM-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C2(CC3CCC3)CC2)C1	2069581327	PYIXWPDVKFSSSQ-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C2(CC3CCC3)CC2)C[C@H]1C	2069582005	XCMCMRRBHOMIGG-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CCCC12CCC2	2072419010	WJKBSFQGKDZJDP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(CN)CC3(CC3)C2)CC1	2072798273	IECWANLPUMIVPO-SHTZXODSSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](NC)c2ccoc2)CC1	2072801069	KHXPPSISEFVCDT-DZKIICNBSA-N	249.398	4.537	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccccc1[C@H](C)O	2073344257	BPMHCRBDUMKWHO-UONOGXRCSA-N	249.398	4.511	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@]12CCCC[C@H]1C2	2074033167	JOBSNOVAJCPGMD-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CN(C1CCC(C(C)(C)C)CC1)[C@@H]1CC=CCC1	2075229357	LZNVJEJDLSTNPY-HWOWSKLDSA-N	249.442	4.632	0	10	BJAE	
CCCCc1ccc([C@@H]2CCCCCC2=O)cc1	2077922711	DROLFXRBFVVDQU-INIZCTEOSA-N	244.378	4.646	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@H]1C[C@@H]1C1CCC1	2079303688	PNZKZIKEIOQLRX-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](CCC1=CCCCC1)NCC	2079441165	DVRKBFFBOWQLAJ-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@H]1C[C@@H]1CCC	2079441837	XVZIKFGYSOCSHD-QSPRXWTASA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CNc1ccccc1C1CC1	2079623255	FVJLOUCVDBCACN-UKRRQHHQSA-N	243.394	4.658	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H]1CCNC2(CCCCC2)C1	2079705663	INOGTTVFKDZNID-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)c1cc(C)c(C)cc1C	2079844753	WALDFMIIGLYEPZ-LSDHHAIUSA-N	244.378	4.621	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1cc(C)cc(C)c1C	2082921672	NHRXHVVZBIHXAQ-MRXNPFEDSA-N	247.426	4.828	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@@H]2CCCC(C)(C)C2)C1	2082975436	IWHMIKTTYKOSTA-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CCCCCCc1ccc([C@@H](O)CCC)s1	2210511915	HCSRZZOUGCSUTG-ZDUSSCGKSA-N	240.412	4.704	0	10	BJAE	
CC[C@@H](C)[C@@H](O)CCCCCCCC1CC1	2212463007	OZPPWPGMFVCDKS-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
Cc1csc(C(=O)C[C@H]2CCC3(CC3)C2)c1C	2213656241	RRIAHAHQXPVDKJ-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)C1CCCCCCC1	2215335027	VFZFQSMBUORWTF-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)(C)C1)C(C)(C)C	2215398812	PNFRXAUPNSFIHY-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CC(O)(CC2(C)CC(C)(C)C2)C1	2215468367	ZNCWXDKGPJHESJ-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CNCCC[C@H](C)CCCCCCCC1CC1	2216878707	DZUFLOATNZTMIW-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)C1CCCCC1	2217138798	NCICPMUOAUBCOD-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218329204	BEBWGIZAMBPAIM-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)Cn1ccc2cccc(F)c21	2220310113	BMDQVCNELYLCJM-ZDUSSCGKSA-N	247.357	4.997	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H]1C)[C@@]1(C)CC=CCC1	2220549431	IYPTZKGNISXNHZ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC1(CC(=O)[C@@H]2CCCC2(C)C)CC2(CCC2)C1	2221089798	FXLRTHHUXNJXAF-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@H](CN[C@H](C)[C@H]2CCC[C@@H](C)C2)CC1	2221632681	RDMDATWLKFGAPB-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)cc(-c2cccc(C(C)C)c2)c1N	2223569669	RYUOBHWWNNBJPW-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CCCC[C@H](C)C(=O)CCCC[C@@H]1C[C@H]1C	2243054494	YFSJYLZEJUQDIN-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CCSc2cccc(N)c2)C1	2246724200	CNDNKPAEPHDSJY-STQMWFEESA-N	249.423	4.577	0	10	BJAE	
CCCC[C@](N)(CC)CC[C@@H]1CCC[C@H](C)C1	2246733824	RZTPYAHSZFPATJ-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
FC(F)(F)c1ccc(CC2=CCCCC2)cc1	2247503842	VZYWSAAURDKEMS-UHFFFAOYSA-N	240.268	4.748	0	10	BJAE	
C[C@]1(CN)CCC[C@H]1CCCCCCC1CC1	2249928207	VUXDYKARRCFTKT-HZPDHXFCSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](CC)CNc1c(C)cccc1CC	2250388936	DOGNYZWPSXFKMW-AWEZNQCLSA-N	233.399	4.796	0	10	BJAE	
CC[C@](N)(CC[C@H](C)CCCC(C)C)C(C)C	2250473949	FZEIWVJARGXHHM-CVEARBPZSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)CC(C)(C)F	2250516812	LMVZWDUMGWTMFM-KGLIPLIRSA-N	245.426	4.695	0	10	BJAE	
Cc1cc(C(=O)[C@]23CCCC[C@H]2CC3)sc1C	2251130763	UXFHNKDLTIDMGB-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CCCCCCC(=O)C[C@@]12CCCC[C@H]1CC2	2251154703	QSMZYIAJXQGAOT-HOCLYGCPSA-N	236.399	4.886	0	10	BJAE	
CCCCCC[C@H](C[C@]12CCC[C@H]1CC2)NC	2251157514	ISIZKWGHJCQYIH-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@@]12CCCC[C@H]1CC2	2251220262	XLUOZHTWUJWVIP-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1ccc2ccsc2c1	2253136124	XFXXUAHRBOJQFF-LLVKDONJSA-N	246.375	4.766	0	10	BJAE	
N[C@@H](C=C1CCCCC1)C[C@H]1CCCCC12CC2	2253790015	DSSVPBKYMKTVGN-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CC(C)NCC1(CC[C@@H]2CCCCC23CC3)CC1	2253861833	GKUIZEHQGWRJLM-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(C1(CN)CCCCCCC1)C2	2254487327	JAHCPAMWWCZOEW-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2CC3(CC(C)C3)C2)C1	2254488899	RKKXTZHOBWTMKD-LLRBONHFSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@@H]1CCC12CCC2	2255029116	QONHGXGMXKRNHK-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(N[C@@H](C)[C@@H]2CC23CCC3)cc1	2256453268	WCPKOFXIEGODHQ-BBRMVZONSA-N	243.394	4.630	0	10	BJAE	
CCCCc1ccc(NC2CCC(F)CC2)cc1	2259217055	PQKHZISPIDVAIR-UHFFFAOYSA-N	249.373	4.722	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@]12CCC[C@H]1CC2	2260501262	OUAGCPGTBBLGCQ-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@]12CCCC[C@H]1CC2	2260513346	TZQXEBAOJVZNSM-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2260605693	PODFRBVAUNYERE-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CCCNCC1(C[C@]23CCC[C@@H]2CC3)CCCC1	2260651319	KGACFUWGHCYGKU-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CNCC1(C[C@@]23CCCC[C@H]2CC3)CCCCC1	2260677833	HSCCQZVLWSHABT-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCC(=CC1CC(CC(C)(C)C)C1)CNC1CC1	2261199473	XSBIWRSGGJEMBP-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
Clc1cccc2c(C3CC3)c(CC3CC3)[nH]c12	2300211432	NOFYPCVWZXMUIU-UHFFFAOYSA-N	245.753	4.651	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301051730	YRNANHPICLOSQF-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@@H](C)[C@@H](C)C(C)C	2301843502	JUERCFXFFNFJOU-YHUYYLMFSA-N	241.463	4.719	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)CCC1=CCCCC1	2301953437	QDIOYIIQPKKGJO-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC2=CCCCC2)s1	2302341882	BCONORIKOWUBEM-AWEZNQCLSA-N	249.423	4.727	0	10	BJAE	
C[C@@H]1CCO[C@H]1CCCCCC1=CCCCC1	2302350284	ZOUQEGPKJFAWDH-ZBFHGGJFSA-N	236.399	4.862	0	10	BJAE	
CC(C)C(C[C@@H](N)CCCCC1CC1)C(C)C	2302575547	XQEZBKQTRKLSQL-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C)[C@@]1(CNC(C)C)CCC(C)=C(C)C1	2303473793	FADYWTCXHIGVSM-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC[C@@H]1CCC(C)=C(C)C1)NCC	2303583011	IZWXIKPCQYXGRA-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@](C)(O)C12CC(CC(C)C)(C1)C2	2304432110	RFPHWVXYRJOFDQ-FHERZECASA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](CC[C@@H]1CCC(C)(C)C1)NC	2304438527	XFOGVVHDJFFOND-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)[C@@H](C)C1CCCCC1	2307895817	RYDATZHEWVVRRI-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@H](C)C1CCCC1	2307908547	HMSYBFSMFCITLE-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@@H]2C[C@H]2C2CC2)CC1	2311467320	BNQUHMMVAACBTJ-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCCC1	2311610083	BMURCCXKKVXPLP-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312933929	PFOPSNUWJJSSMK-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)C[C@@]12CCC[C@@H]1C2	2312997533	KENZADOJVRZAMT-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H](CC)c1ccccc1	2316542603	RKRWRMKPTGTLDQ-SJORKVTESA-N	245.410	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)C[C@H]2C=C[C@H]1CCC2	2316731054	UVQKBNDYJQRKOR-KLZNWCGWSA-N	249.442	4.523	0	10	BJAE	
O=C1CCCCC[C@H]1C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317148762	PHQFFTACUOCUFU-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CC(C)c1ccc(F)cc1NCCCC1CCC1	2317915619	POUZOFJNORIDAF-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)C12CCC(CC1)C2	2318570500	XXYXXBYBIUNWMF-AQFXKWCLSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CC12CCC(CC1)CC2	2318931414	ZUDVCZGWHRURIQ-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CCC(=O)c1ccccc1	2320240792	OROYKXGNZLEHTQ-HIFRSBDPSA-N	244.378	4.722	0	10	BJAE	
CNC[C@@]1(C[C@H]2CCC(C)=C(C)C2)CCC1(C)C	2320328490	PUQTZRMEEAWFJX-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(CC(C)C)CCCN2)CC1	2320348065	NBJHPGZNNYMBGX-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCN(C1CCCCCC1)[C@H](CC1CC1)C1CC1	2320775474	IIWVUARPBGZBSU-QGZVFWFLSA-N	249.442	4.610	0	10	BJAE	
CCN[C@@H](c1cc(C)ccc1C(C)C)C1CCC1	2327676826	BLBCTPHRXXOIKT-QGZVFWFLSA-N	245.410	4.569	0	10	BJAE	
Cc1ccc(-c2cc3cccc(C)c3[nH]2)s1	1518937	CJYNWJVPBQMZOF-UHFFFAOYSA-N	227.332	4.513	0	10	BJAE	
C=Cc1ccc(Oc2ccc(C=C)cc2)cc1	27836495	NYINVZSHVMSTDP-UHFFFAOYSA-N	222.287	4.765	0	10	BJAE	
CCCCC[C@@H](NCCC)c1ccc(C)c(C)c1	35572787	GWZJFZLZGIPSDK-QGZVFWFLSA-N	247.426	4.924	0	10	BJAE	
Cc1ccccc1N[C@H](c1ccccc1)C(C)C	37216464	PLRHEVAGOIGGJL-KRWDZBQOSA-N	239.362	4.804	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@H](C)CCCC(C)C)c1	37231762	JILYSQXOMDBURT-HZPDHXFCSA-N	247.426	4.860	0	10	BJAE	
CC[C@@H](N[C@H](C)CCCC(C)C)c1ccco1	54083421	UYJHFEQLZQHIOE-ZIAGYGMSSA-N	237.387	4.535	0	10	BJAE	
CC[C@H](C)c1ccccc1NC(=O)C(C)(C)CC	59014193	GMXOQYHMQLBQIJ-LBPRGKRZSA-N	247.382	4.575	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1CCCCC1	71085049	QUSBQPPHLKGWKO-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Sc2ccc(C)cc2N)C1	71150146	OPKGCJINJZVECK-CHWSQXEVSA-N	249.423	4.638	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](CCC)CC[C@@H]1O	82438353	ZFFYLOJEOBZPAH-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CCCC1(C)C	86865412	VDIARCRQYGQITO-LBPRGKRZSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C)CC2)c(F)c1	86880615	ZEHPKXQEVGCSIU-AAEUAGOBSA-N	235.346	4.515	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC(C)(C)CC2)c1	86893318	VMDGGRPDSVLNCU-AWEZNQCLSA-N	231.383	4.766	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1ccc(CCC)cc1	109788342	WNEBGRJXUMAFAC-DOTOQJQBSA-N	248.410	4.889	0	10	BJAE	
CCCCCC[C@H](C)NCC1CCC(C)CC1	109963467	LBXMIXMWDUTNBO-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@H](CNCC(C)C)CC(C)C	110183999	SRRINVVVMIBXAU-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCC(C)(C)C[C@H]1C	155826668	FVTNZUWVEBUVMN-OCCSQVGLSA-N	249.373	4.761	0	10	BJAE	
Cc1cc(Cl)cc([C@H](N)C2=CCCCCC2)c1	157548316	ZMIYBMYXUUCRTE-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)c1ccccc1	161936139	UILSOIHXQKFDFZ-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CC(C)CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N	165494365	QMKISAKBEAUDRT-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](c1cccc(CCC)c1)[C@@H](C)CC	165811584	VFTDAVDVDGFMIM-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
Cc1cc(C)cc(-c2ccc3c(C)cccc3n2)c1	167325713	IGNHCSNMXUVWFE-UHFFFAOYSA-N	247.341	4.827	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCCCC1CCCC1	225059535	FXHNFMRWYOKRLI-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
C1CCC2(CC1)CC[C@H]2NCCCC1CCCC1	225239965	WYDSZDKHFXUBMA-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CCCCC1(C)C	226819825	XAJMUIRBHHOMFD-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@H]1CCCC1(C)C	226824931	WDGVRARCTSTIHP-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)c2cccc(C)c2C)C1	226984062	CRUIOQJZRLHKIV-HLLBOEOZSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1C	229192473	DOQCBBGUHPSKPO-IVMMDQJWSA-N	244.378	4.558	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)CCC1CCCCC1	229269551	GUSYNUJWANCNHI-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC(CC)CC	229445364	MERUGVDKQFONBF-ZDUSSCGKSA-N	212.377	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)c1cc(C)cc(C)c1	229481276	IBSBUKVXTHPJRA-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CC(C)c1ccc([C@H](O)C2(C)CCCCC2)cc1	232764267	OAKLRVZPKMMYJK-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCCC1(CN[C@@H](C)c2cc(C)ccc2C)CC1	233027389	LOUWELKESKLIJO-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CC/C=C/C[C@@H](C)c1ccc(CC)s1	238221237	MELCKBKVXSBJGT-XUIVZRPNSA-N	208.370	4.770	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H](C)c1ccccc1	300471653	IWFRUKHYJPDESP-IIAWOOMASA-N	244.378	4.576	0	10	BJAE	
CCc1cc(NC(=N)C2CCCCC2)ccc1C	302331335	SAZBQFMYNSNQER-UHFFFAOYSA-N	244.382	4.527	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(C(C)C)cc1	304222979	WOHSDPQQLYEWRC-ZDUSSCGKSA-N	232.367	4.819	0	10	BJAE	
CCc1sc2ccc(Cl)cc2c1CC	307051236	MXDCGOMCUOQXTJ-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
Fc1cc(C(F)F)cc2sc(Cl)cc12	307298186	WBZCDYNFFGTVKT-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](CC1CCCCC1)NC	308064003	KFXGTIPNQHLCPP-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H](C2CCCCC2)Nc2ccccc21	310214094	VORZUOYFKMNOMC-BLLLJJGKSA-N	229.367	4.555	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H]2CCC[C@@H](C)C2)C1	310308348	DEKYDMNQPLXQLC-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1(C)CCCC1)NC	310425100	RKGLZPYRWCLKKU-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C(C)C)[C@@H](CC)c1cccc(C)c1	310619978	AAOASCYELZSBCC-DLBZAZTESA-N	247.426	4.513	0	10	BJAE	
CCCNC[C@@H](C)[C@@H](C)c1ccccc1C(C)C	310978339	SPJXYUOMLHZBPM-HUUCEWRRSA-N	247.426	4.549	0	10	BJAE	
CC(C)CNCC1(C(C)C)CCCCCCC1	318216739	FEDZTLZVBIBLAP-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(CC)(CNCC(C)C)CC1	318239230	GVNKPRSKVOHMIL-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CC[C@](CNC2CC2)(CC2CCCC2)C1	318994653	SXHAHPJFSVEFRJ-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](Nc1cccc(Cl)c1C)C1CCC1	322391906	OTQPQFGIRZOPGS-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@H](CC)C[C@@](O)(CC)C1CCC1	322678380	JEELGMADPDEEMS-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
Cc1sccc1[C@@H](O)CCCCCC(C)C	383093676	CPVDLYQHABCIKQ-AWEZNQCLSA-N	240.412	4.696	0	10	BJAE	
CC(C)CC1([C@@H](O)CC2(C)CCC2)CCCC1	383655023	ICSGEFHSRXQTCL-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@H]1CCC[C@@H](C)C1	383688347	QBQOJBUUUWXDPZ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C(=O)CCC2=CCCCC2)ccc1F	384855538	MTOCTGANMOMXIM-UHFFFAOYSA-N	246.325	4.597	0	10	BJAE	
CC/C=C\CN[C@@H](CC(C)(C)C)c1ccccc1	385083528	XAHVROXZZLLAOS-DIEDAUMRSA-N	245.410	4.720	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1C[C@H](C)CC[C@@H]1C	386077203	BIHKOTQHZNCBGJ-CBBWQLFWSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CC[C@H]1Nc1cccc2ccsc12	386253378	SHHSVQPLOFFUKA-GFCCVEGCSA-N	231.364	4.502	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@@H]1C[C@H]1CC	387697039	ZRZSWAUZPSIZOB-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC1(CNC2CCCCCCC2)CC1	391803990	IGCVAHHFKKOUIU-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)CCNc1ccccc1C(C)C	394457273	OYLFLRPWGIEKRN-ZDUSSCGKSA-N	219.372	4.658	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)[C@@H](C)C(C)(C)C)c1C	399162296	MDUBXYIFVZLOBH-ZBFHGGJFSA-N	248.410	4.636	0	10	BJAE	
C[C@H]1CCC[C@@]1(CNC(C)(C)C)CC1=CCCC1	401102402	YXKNOKYVCGBEGC-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C1=CCCCCCC1	401359781	QNXQTWFBNPUVJY-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCc1ccccc1NC[C@@H]1CCCC[C@@H]1CC	401598234	XOJWAUVJPZBQNW-HOCLYGCPSA-N	245.410	4.877	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CC=CCC2)C1	402189763	ZHGLKTZQBFQNQT-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1CC=CCC1	402379574	XMFIGZQAEPJWJS-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CC(C)(C)C1CC1	405826406	ZMUYYEPGYFHZLU-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@H](C)CCC	688371157	WUZMYYHZQUEPRX-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CCC[C@@H](C)C2)c1	689615895	WEGIQBLLLMMIBG-CZUORRHYSA-N	245.410	4.802	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCCCC[C@@H]1C	691079884	MTUYOROMRTVAGS-FZMZJTMJSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CCCCC[C@H]1C(C)C	691103979	NBCMIPXNEIRQQO-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1cc(C)ccc1F	691134142	GCDHSVQYSBGFRR-UKRRQHHQSA-N	249.373	4.905	0	10	BJAE	
CCCCC[C@]1(O)CCCCC[C@H]1C(C)C	691136125	QETUMSPYCUADEN-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CC[C@]1(C[C@H]2CC3CCC2CC3)CCCCCN1	691776361	LLWBUJWEHLXEKD-BHUNQDJPSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)C1CC2(CCC2)C1	691889581	FWAWYHORWURDNJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@@H]1CCCC[C@H]1C	696679398	SMDDYLJRAYBFQS-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)c1cccc(C2CCC2)c1	697195412	VRLQGSZLHYOYGT-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@H](C)C2CCC2)cc1	701355090	VBPWWAZOFAPOMA-OGHNNQOOSA-N	246.394	4.670	0	10	BJAE	
C[C@](N)(CCC1CCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2	704443878	UPQPMRYUUCYGNG-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@]1(N)CCCCC[C@H]1C(C)C	704457975	CVDPGJBPSIQSAY-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)c1cc2ccccc2o1	708250869	JGUPTRBNYUEJAC-NHYWBVRUSA-N	245.366	4.505	0	10	BJAE	
C/C(=C\CCNC(C)C)C[C@H](C)CC(C)(C)C	709084746	MVDVHJXLACEDQX-HNRFISLBSA-N	239.447	4.783	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)[C@]12CCCC[C@@H]1C2	709097736	RVASJZXLXHFJTN-YWPYICTPSA-N	249.785	4.721	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC/C=C\c1ccccc1	710017633	LZVKULKXLJLUMG-CTXBLAANSA-N	245.410	4.504	0	10	BJAE	
C1CCC(CCCN[C@@H]2C[C@H]3CC[C@H](C3)C2)CC1	711030045	BSFNREYRRQDXES-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](CC)(CNC)C[C@H](C)C(C)(C)C	711181227	DUYKHDWKEKHBOA-GOEBONIOSA-N	241.463	4.865	0	10	BJAE	
CC[C@H](C[C@H](O)C1=CCCCCC1)C(C)(C)C	711212610	VKVBATCJKLAVRK-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC(C)(C)CC	713248162	MEAUOZFWGQCADO-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
c1ccc(C2CCC2)c(-c2cccc3c2NCC3)c1	713463695	MIOQXWMOZXHYSU-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CC[C@H](CC(=O)C1CC2(CCC2)C1)C(C)(C)C	717534965	TXBHBDIQPMMMFX-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCNCC1(CCC(C)(C)C)CCC=CCC1	718060925	GUENLWWBTXWZNH-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cc(C)c(F)c(C)c1	718789513	XJVIQNXWQXGNGD-UHFFFAOYSA-N	248.341	4.762	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CCCC1CC1	720160090	UCKRZEUCTLBSTA-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)[C@H](NC)c1cccc(C(C)C)c1	721709271	DCLOZZIANNLDCN-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1CC(C)(C)C1	723574737	ULCDUQJIOCISNH-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC(=O)c1cccc(-c2c(C)csc2C)c1	724993092	NOAPDTUFMHTUKR-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@H]1Nc1ccc(C2CC2)cc1	821906481	VGUKGGNJNHTWHS-IIYDPXPESA-N	243.394	4.801	0	10	BJAE	
C[C@H](CN(C)[C@H]1CCC(C)(C)C1)CC(C)(C)C	1460051102	ZSWVMGITLFXBKM-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CSc1ccccc1F	1651732766	BQHWIXQLYYTZBX-NEPJUHHUSA-N	238.371	4.744	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN2C3CCCC2CCC3)C1	1652504208	BFLMYFQHDGWPPR-NUWOQIAWSA-N	249.442	4.610	0	10	BJAE	
CC(C)C[C@@H](C)CN1CC[C@@H](C)c2ccccc21	1653692854	HXLHAQBGQAVQCB-HUUCEWRRSA-N	245.410	4.682	0	10	BJAE	
CC(C)[C@@H](C)S[C@@H](C)c1cc(F)ccc1F	1656320969	BXXBILFZOHXTAN-ZJUUUORDSA-N	244.350	4.804	0	10	BJAE	
C[C@H](CN(C)[C@H]1CCC[C@@H](C)C1)CC(C)(C)C	1657093688	PUHBDUHZFJFBBO-ILXRZTDVSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](C)N[C@@H]1CCCCC12CCCCC2	1875414977	STQLNYPBAOHQJP-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](C)CCCC(C)C	1900592520	CIJLMTYEMKACJJ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CCCC[C@H](NC)C(C)(C)C	1900692585	FPMYELQBGFGWEE-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@](CC)(CO)CCC(CC)CC	1900704661	RXYPVCBVQFQAKR-OAHLLOKOSA-N	228.420	4.782	0	10	BJAE	
CCC(C)=CC[C@H](N)C[C@@H](CC)C(C)(C)C	1900885873	SWZUDDMTIFZHAK-KGLIPLIRSA-N	225.420	4.523	0	10	BJAE	
CCCCC[C@H](N)CC[C@@H]1CCC(C)(C)C1	1903409786	RZBPEFIYWDYZFO-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H](CC)CCC	1905381616	LFOCATDVYVIEOM-CABCVRRESA-N	228.420	4.924	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CCC(C(C)C)C(C)C	1909575662	IBQCLUBZJJICOL-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@]12CCCC[C@@H]1C2	1909884314	UCUHWURUELNMOZ-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1Cn1ccc2ccc(Cl)cc21	1910803908	ZBMSBGZEGUPHAC-JSGCOSHPSA-N	247.769	4.587	0	10	BJAE	
CCC=CC[C@@H](C)c1c(F)cccc1Cl	1912058352	YYTCJEVLIKFLSH-SNVBAGLBSA-N	226.722	4.939	0	10	BJAE	
CCN[C@@H](C1CCCCC1)C1CC2(CCCC2)C1	1912607386	RRTRSZAFDQGDEA-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCC3(CCCC3)C2)C1	1916436805	JEOHHAJMTZFKHJ-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CCC3(CCCC3)C2)C1	1916440336	VVWJOYVNVGSZMP-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@@H]1CCC[C@H](CC)C1	1920196197	HDMDPBVLAGYRIO-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CCC1CC(CN[C@H]2CCC3(CCCCC3)C2)C1	1921245823	BUPNTOYZBZFLAT-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1CC(C(C)C)C1	1921277821	CEEXSSVWWZOATC-WLYUNCDWSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@H]2CCCC23CCC3)C[C@H]1C	1921610702	PMJPCHPYNFQUKO-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1CC[C@H]2C[C@@H]2CC1	1925803650	UVYZBSUCQWIAED-KBMXLJTQSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC[C@H]1C=CCCCC1	1925820213	OUENEMGZOMFMKH-QLFBSQMISA-N	206.373	4.949	0	10	BJAE	
FC1(F)CCC[C@@H]1CC[C@H]1C=CCCCC1	1925848552	IKHLYQHUCBDQRL-QWHCGFSZSA-N	228.326	4.948	0	10	BJAE	
CCC(CC)CCN[C@@H](c1ccccc1)C(C)C	1926173930	HBVVRQSFBRRJDK-QGZVFWFLSA-N	247.426	4.800	0	10	BJAE	
CCC[C@@](O)(CCCC1(C)CC1)C(C)(C)C	1935937883	TTWBLROVVLEKSW-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H](C)c1cccc(N)c1	1936002096	JIAMYIIWNQLAAU-GFCCVEGCSA-N	219.372	4.589	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2C[C@@H]3CCC[C@H]32)n1	1936500560	PIMKNAOVVLQBQW-NNYUYHANSA-N	235.396	4.560	0	10	BJAE	
CC[C@H]1CCC[C@](O)(C[C@@H]2CCC[C@H]2C)CC1	1940168043	PYFYJUQJZJZUJW-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)CC2(C)CCCCC2)C1	1940405919	BKDVEZFNGNUIQX-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C[C@H](C)CCC	1940795144	FNGZGOHWRXVIKA-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)CCC1CCCC1	1940879751	YMRJJJVEULQFFI-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](O)CCCC1CCC1	1941246918	YRRCSQUILCKDNW-CVEARBPZSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(O)CCCC1CCC1	1941470141	LZHSCHFFBKFQDJ-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)CCCCCC1CC1	1941580256	XLERUUTXRRGXDV-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1(C)CC(C)(C)C1	1941980343	PQLRTUBLFBMEGH-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1C[C@H](C)C[C@@H](C)C1	1943040327	NVVRXJFYNRXWPS-NFAWXSAZSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](NC[C@@H]1C=CCCC1)c1cccs1	1947585017	IAJAPGLMUHHIFY-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CC1CCC(C)CC1	1948328896	XBTRRVJGRABIOB-GRAKBVBRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@H]2CC[C@@H](C)C2)CC1	1949404783	XFNKWNCPYLYXAJ-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)C=CCCC1(C)C	1949661421	LJISQJVLIIWKPQ-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC[C@@H](O)CC1CCCCC1	1949913230	QVAAQZGNRVAFKG-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCc1cccc(Cl)c1Cl	1954018467	BCWONUNPKDHZPV-UHFFFAOYSA-N	215.123	4.502	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC2CC3(CCCC3)C2)C1	1964594173	LDUSDPLDCWKJQI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NC2CC(C)(C)C(C)(C)C2)c1C	1968250673	RDCMVWRZBZYFJI-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
CCCC[C@@H](CC)CN(CCC)C1CCCC1	1968778804	GZMGRMLYVUADLE-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CC(C)CCCCC[C@H](N)CCC1CCC1	1976920722	SWZNTEQBYIZEMZ-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCCCCCC1=O	1980341304	GTUCISJMKMUBDV-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)C1(C)CCC1	1981372935	XWCXVBVAZKETMT-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CCC[C@H](C)C(=O)C1(C)CCCCCCC1	1981426591	GMBWKYOYZKRBTI-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC[C@H](CNc1cc(Cl)ccc1C)C(C)C	1988765039	QNIDNOYTQIYYBW-GFCCVEGCSA-N	239.790	4.743	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC[C@@H](CC)C1	1990045844	UTKKVONBWYOEID-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@](N)(CC)CC1(CC)CCC1	1990094118	RVEQPFLGGVSWGD-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)N[C@H]1CCCC(C)(C)C1	1995645755	UHDOCZKYYBEZMA-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)C1CCC(C)CC1	1996551224	ASSUUKJMAGCKEF-LVDPKSTMSA-N	239.447	4.760	0	10	BJAE	
Cc1cc(Cl)ccc1NC1[C@H]2CCC[C@H]1CC2	1997558104	JXCUKFRWDOURKW-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CCN[C@H](CC1=CCCC1)c1cc(C)sc1C	2000385132	OJDKBUJRXKUKMS-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@@H]1CC[C@@H](C)C1	2000515056	YLLAYGHQOYLOLO-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CN(C)[C@H]1C[C@H](C)CC(C)(C)C1	2000896772	ORTNLANGOIGSQU-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCCC(O)(CCC)C[C@]1(C)CCCC1(F)F	2002575102	AQSNPMRMKJFNQR-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CCC[C@H](NCC)[C@@H](C)[C@H]1CCCC(C)(C)C1	2003021454	QMHIPSQLROHMSZ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CCCCCCC2=O)C1	2003112575	WEJMAHYORICDDP-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NCC)[C@H](CC=C(C)C)C1	2004226926	KCYPMSQKBGTKSY-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC1([C@H](N)CC2=CCCC2)CCCCCCC1	2004921873	AWJQCJCAYRSRPE-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(CN)CCCCC1(C)C	2005589090	KJQHFKZTPXYOOS-INIZCTEOSA-N	239.447	4.604	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@H]1CCCCCCCC[C@H]1O	2006696893	PIDJWAYUXLQERT-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CCCC(C)(C)C)[C@@H]1C	2006980321	OMEWUBOZWMTXCI-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C1(C)CCC(C)CC1	2007692868	FIBAAVPCJBWKFZ-SIWZUTFBSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2(C)CCCC2)CC1	2009404399	NAFFHKZIDOXSNA-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C[C@H](O)C1=CC[C@@H](C)CC1)C(C)(C)C	2010626330	XULAVOYGQLPDJG-YUELXQCFSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2010711692	CIZUHXPHSIEWPJ-LSDHHAIUSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@H](O)CC1=CC[C@@H](C(C)(C)C)CC1	2010717175	GRNLLXOMHCMECT-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CCC)CC1=CC[C@@H](CC)CC1	2010770347	XXOXJPFDOVXJKW-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CC(=O)CC1CC2(C1)CC(C)(C)C2	2011847035	YRTQVZZWIOVOQV-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCC(=O)c1scc2c1CCCC2	2013961038	KWKPRPGCQLFHIX-NSCUHMNNSA-N	248.391	4.556	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](N)c1ccc2sccc2c1	2015277944	KQJXWZLFXKXCGJ-SMDDNHRTSA-N	247.407	4.583	0	10	BJAE	
CCCC[C@@](O)(CC)CC1(C(C)(F)F)CCC1	2016719969	MSFMKMJSAUPGPP-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNC(C)(C)C)CC1(C)C	2017470005	WHGZPTXVNOKVOH-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)NC[C@H]1CC[C@H](CCC)CC1	2017663147	OWRZJVAYAHUYEM-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)C2(CC)CC2)CC1	2017722728	RJYZCRDEIGMREA-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C[C@H]1CC[C@H](CC)CC1)NCC	2017729629	YSGPVBXWKDJBOW-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@@](C)(N)[C@@H]2CCC[C@H](C)C2)CC1	2018922598	AKCVVXVIPKSYOQ-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CN(CC)[C@@H]1CC[C@H](C)[C@H](C)C1	2019123732	IYDCDCMEDTWHKW-SQWLQELKSA-N	239.447	4.569	0	10	BJAE	
CC1([C@@](C)(O)CCC2=CCCCC2)CCCC1	2019770053	SUXKGHMFUZDCTF-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCCCCN(C)CC1C[C@H](C)C[C@@H](C)C1	2019938489	MQQKOCNRMOFWDJ-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CCCCC(=O)C[C@H]1C[C@@H]1C1CCCCCC1	2022553074	CONQMNOTWRNFAS-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC(C[C@H]2CCC(=O)C2)CC(C)(C)C1	2024090976	DHEQBHQPQMOAMM-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@]2(O)CC(C)(C)C2(C)C)CCC1	2025018698	IFAPOOIWIJTYRA-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H]1CC12CCC2	2026073916	JTPJOCPKZNZTID-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H]1CC=CCC1	2026167059	OMLUAKVANFDAEV-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
C=CC=CCC[C@@H](CC[C@H](C)CCCC)NC	2026169460	IOJAXMCQJSLZMZ-CVEARBPZSA-N	237.431	4.703	0	10	BJAE	
CC(C)Cc1csc(C2C[C@H]3CC[C@H](C2)C3)n1	2026525580	WKJVYOJYOJOJKT-RYUDHWBXSA-N	249.423	4.635	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1[C@@H](C)[C@H](C)CC[C@H]1C	2027793798	PLIXSRCJHGDDRF-YGSHXTJESA-N	249.373	4.617	0	10	BJAE	
O=C(CCC1CCCC1)c1cccc(C2CC2)c1	2028551266	DLHXMILGVJDYRZ-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)[C@H]1CCC[C@@H](C)C1	2028898339	UFGOLRLVZAUZDK-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)c2ccc(C3CCCC3)cc2)CC1	2031746009	JSWXBNTULCTXNZ-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
C(CCC1CC1)CNC[C@@]12CCCC[C@H]1CCC2	2031806258	WRTPMYZFIVKEHM-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
O=C1[C@H](CC2CCC=CCC2)C[C@H]2CCCC[C@@H]12	2034262314	ZREUXKAPHWJEOX-BZUAXINKSA-N	246.394	4.518	0	10	BJAE	
CCCC1(CN[C@@H]2CCCC3(CCCC3)C2)CC1	2034364658	RWKQNYRGSSJXNF-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCC1)[C@H]1CC[C@H](CC)CC1	2035589746	HVJIVPXIPVFXRD-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@H]1CC[C@H](CC)CC1	2035589748	HVJIVPXIPVFXRD-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(NC2CC(C3CCCCC3)C2)C1	2036459596	JTCSEGVWUNWFNO-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@H](N[C@H]1CC[C@H](C)CC1)C2	2036664577	LDANCKQLINLHMA-SMLCLMEVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CC1CCC=CCC1	2037210249	VBKRXLWJUBISKU-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1C1CCCCCC1	2037225268	UEVWRBVVFRZSSX-CXAGYDPISA-N	243.394	4.802	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC12CCC2	2037396495	ICMMIKJVPNFQDP-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC(C)(C)C1)c1ccccc1	2037697670	IUHYEVXSYKGRDK-GDBMZVCRSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@@H](CC1CCC1)CC1CC2(CCC2)C1	2037979810	QMVMONHYFLDJAB-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@H]1CCC2(CC2)C1	2038571045	HHWOWESLPUQOIF-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@@H](C)CCC1CC1)C2	2038932717	HIOGKLAJIFXIKB-ZFBLFJJNSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@H](C)C23CCC(CC2)C3)cc1F	2039864797	JYUPXHLUKNRQEG-VEAWUBTESA-N	247.357	4.515	0	10	BJAE	
CCc1ccc(CC)c(NC[C@H]2CC[C@H](C)C2)c1	2040125813	AFNCTRGVFBKBNL-ZFWWWQNUSA-N	245.410	4.660	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CCC(C)CC2)c(F)c1	2040632424	FAUIXGGXSNZQEN-QRMWWUJWSA-N	249.373	4.761	0	10	BJAE	
CCCC(C)(C)C(=O)Cc1ccccc1C(C)C	2040726113	OZRCXSVOBUQDOL-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CC23CCC(CC2)C3)C1	2045392656	WQUJUZLHZMFNQJ-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](NCC)C2=CCCCCC2)CCC1	2045803413	ZFQONCQRIYJVKF-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](C=C(C)C)c1ccc(CC(C)C)cc1	2045809297	VYTPEVRZLQVWBA-QGZVFWFLSA-N	245.410	4.502	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H]1CCCC[C@H]1CC	2045822403	IASCLICMDYVCMK-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](c1ccc(C)o1)C1(CCC)CCC1	2048266623	SRVYNDRSMYBAEF-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC1(CN[C@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2048380182	FLLGIJPNRLICJO-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@H]2CC23CCCC3)C1	2049496250	RZJMVLNQXKKASA-GOEBONIOSA-N	249.442	4.502	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@H]3CCC[C@@H]32)CCC1	2049682615	WOMFCSANCGJCMM-HYVNUMGLSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](NC1C2CCCC1CCC2)C1CCC1	2050038505	BUDNQFMLQYGENK-PYCMUAIMSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(NC2C3CCCC2CCC3)cc1	2050040942	BQMXJRSBPSVRGK-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
C=CC=CCCC[C@@H](NCC)c1ccccc1C	2050464872	POZMUJYTZHOVGY-QGZVFWFLSA-N	243.394	4.558	0	10	BJAE	
CC1(CCCN2CCCC[C@H]2C2CCCC2)CC1	2051673096	YVFHTZVZZKVCNJ-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCCNC[C@@]1(C2CCC2)CCCCC12CCC2	2053354310	DKBCCQCKOZVKDT-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCNC[C@]1(CC2(C)CCC2)CCCCC12CC2	2053358916	MENJYFFTUXTVSW-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
FCCc1ccc(NCCCCCC2CC2)cc1	2055640307	FZCPGJZBTSZTFH-UHFFFAOYSA-N	249.373	4.581	0	10	BJAE	
CC1([C@H](N)CC2CC(C3CC3)C2)CCCCCC1	2056640473	PNNWOUDVSQRLIO-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)[C@@H](C)C1CCCC1	2060926699	SOKWTBPMCUOMSR-KEYYUXOJSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@@](N)(C2=CC[C@H](C(C)C)CC2)CCC1	2061117117	WLSZSPYADXYOKK-DOTOQJQBSA-N	247.426	4.587	0	10	BJAE	
CC(C)[C@H]1NCCC12CCC1(CCCCC1)CC2	2061513080	PBVVISNLPRJWNY-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C1CC(=C2CCC2)C1	2061733894	HJGIEYDUFAJGAQ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(O)CCCCCC23CC3)CC1	2062030414	DSKXXQULTZYCGR-RHSMWYFYSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@](C)(N)C1CC2(CC2)C1)C1CCCCC1	2064490113	WUCLTQAYEIHBRB-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)c2cccc(C)c2F)CCC1	2069282630	MOUAETMSDUBTOB-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC(C)CC1(C(=O)CC2CCC3(CC2)CC3)CC1	2069508001	YYUODFRIJHRPTO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)=C(C)[C@](C)(N)c1ccc(C(C)(C)C)cc1	2072429155	MCJZOVHOBDPHNA-KRWDZBQOSA-N	245.410	4.514	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CCC3CC2C3)CC1	2072796734	RJUZDKCJRZVWRV-UCMFOZJVSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1C[C@H]2C=C[C@H]1CC2	2073346429	MRRAKHIQGIOXGV-MWDXBVQZSA-N	249.442	4.667	0	10	BJAE	
CCCC1(Cc2ccc3c(c2)CC[C@@H](C)N3)CC1	2074636737	OHBGWFWVVDTPAB-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
C1CCC(CCN2CCC[C@H]3CCCC[C@@H]32)CC1	2074889722	UKIPJAZJYFEWRU-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
Cc1ccc2c(c1)CCCN2[C@@H](C)CCC(C)C	2075233948	RXLVHCLPQYCKLC-HNNXBMFYSA-N	245.410	4.572	0	10	BJAE	
CCCC1CCC(CN2CC=CCC2(C)C)CC1	2075310040	YTTIGKBLRCRKRZ-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CN[C@@H]1[C@H](CC2CCC=CCC2)CCCC1(C)C	2076393542	STBIRWQAPQBGAK-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1ccccc1CC	2077188893	BQVHVEZHJNWGKK-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CC=C(CC)[C@H](NC)c1ccccc1CC(C)C	2077194148	HTYCWQNJJDEVIV-KRWDZBQOSA-N	245.410	4.502	0	10	BJAE	
C[C@@H](N[C@@H]1CCC[C@H]2CCCC[C@H]21)C1CCCC1	2081140353	IZPFGAUTNRBYMD-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1C2(CCC2)C12CCC2	2083556453	DHQKZTRBLCIGJY-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCc1ccccc1	2086055084	YAZWGTSMQCOFGU-DOTOQJQBSA-N	247.426	4.553	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H]1C[C@H](CC(C)(C)C)C1	2213119926	SGULWEVWOUDCJY-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CCC[C@@](O)(CC)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213276185	WVKGZXSFPLNBTR-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
C[C@H]([C@@H](N)CCCCCCC1CC1)C(C)(C)C	2213575134	BVIZTABIKGIOMT-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@@H]1[C@H](N)CCCCCCC1CC1	2213576663	SNNMKDYMCSEXBV-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCN[C@H](C(C)C)C1	2215275312	CVUWHRSQGGKIQS-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC1(C)CC(C)(C)C1	2215459923	BEIGFAXBKQENGY-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
C[C@H](C[C@H](N)CCCCC(F)F)CC(C)(C)C	2216415098	UXPVXVNUPOHAAK-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
CCCN[C@H](CCCCCC(F)F)C(C)(C)C	2216445144	RDUYFEXWRDLOQH-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)CCCCC(F)F	2216517825	ZMXYLBXYONXZIY-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)CC[C@](C)(CC)CNC1CCC1	2217131044	VQHQQZKWDLBWSR-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@H](CC)CC1(C)CCCCC1	2217156465	LKTJIGSJGWIGAP-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C1CC[C@H]([C@@H]2CCC[C@H]2CCCCC2CC2)NC1	2220042332	SQIXGKFQIQYHNM-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)CCCC2CCC2)CC1	2221605125	PRQUQABALZMYJC-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CCCN[C@H](C1CC(C)C1)[C@@]1(C)CC=C(C)CC1	2221613490	DJZUFQCTJJKDDD-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)CC2(C(C)C)CCC2)CC1	2221621859	GJMFOJYSIAXFGN-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
N[C@H](CCC1CC1)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222980708	LRPSTJIBALYWNY-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@H](O)c1ccc2occc2c1)C(C)(C)C	2224132927	RNBDNXCQWGLVRU-BXUZGUMPSA-N	246.350	4.539	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)c1ccc2occc2c1	2224158992	RHKNDSIRNJJERK-IUODEOHRSA-N	245.366	4.505	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1cccc2ccoc12	2224195382	CLXUZDTYJRFPRZ-DZGCQCFKSA-N	246.350	4.539	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CCCC[C@@H]1C[C@@H]1C	2247157542	DHGYFGCRQNJFOL-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C[C@@H]1CCCC12CC2	2247599737	GFALVTFRVXUNCQ-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)N(C)CCCCC[C@@H]1C[C@H]1C	2248837788	GQSCVVQDJGOUKF-OAGGEKHMSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)[C@@H]1CC1(C)C	2250478223	GKZZIUZYBBUTMJ-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)[C@H](C)C(C)C	2250495410	IAEBPKNMDMCKFZ-ARFHVFGLSA-N	242.447	4.882	0	10	BJAE	
Cc1cc(C(=O)C[C@]23CCCC[C@@H]2CC3)cs1	2251157548	IWRXQCDTJLYRJM-UKRRQHHQSA-N	248.391	4.600	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@]12CCCC[C@@H]1CC2	2251215417	LCAQVZKTILVGEV-PMPSAXMXSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@H]1CCCCC12CC2	2253830807	GGKPCAFLHRZLET-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@@H](CC[C@@H]2CCCCC23CC3)N1	2253857064	RKGICFLPCMRWCG-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
Cc1coc(C)c1C(=O)CC[C@@H]1CCC[C@H](C)C1	2253936196	RAXFXAVEVVRDEH-FZMZJTMJSA-N	248.366	4.686	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)CC1CC2(CCCC2)C1	2254122475	GAQJXIKFODLVTH-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(N)CCCC2(CCC2)C1	2254585510	BJICEFPWDFZGNR-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
N[C@]1(CC2=CCCCC2)CCC2(CCCCC2)C1	2255144573	WHPDSDNOAHKMAE-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC1(C)CCC[C@H](NCC[C@@H]2CCCC23CC3)C1	2255220894	BLYYUVDWQKBJCD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CC[C@@H]2CCCC23CC3)C1	2255308060	GZWVIEJXDBKOMW-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H]1C(=O)C[C@H]2CC[C@H]1C2	2257315808	NROGXNFXSWZTTN-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H]2[C@H]3CCC[C@@H]2C[C@@H](N)C3)CCCCC1	2258032110	HHTXZSRQKPKZHY-LDKKBFSKSA-N	249.442	4.501	0	10	BJAE	
c1ccc(C2CC2)c(NC[C@@]23CCC[C@@H]2CC3)c1	2260616572	GXSHPXHGMVGXMW-PBHICJAKSA-N	241.378	4.556	0	10	BJAE	
Nc1cccc(C=CCCC2=CCCCC2)c1	2302331728	OORKZCNGUIICKT-UHFFFAOYSA-N	227.351	4.563	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCCC[C@H]2C[C@H]21	2302836697	OISWWGYUXMWWGI-NJZAAPMLSA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1CCC[C@](O)(C[C@@H]2CCC(C)(C)C2)CC1	2302893462	VORROSPFZLGPRF-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC(C)(C)C1)C(C)(C)C	2302903458	ZQXUUVCDWARHFE-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCCCCCC(=O)CC[C@H]1CC[C@H]1C1CC1	2303158858	NZHOBHHWGOCEIQ-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CC[C@H]2C(C)(C)C)CCC1	2303396501	LTQIMSUEKAWJSA-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC[C@@H]1CCC(C)(C)C1	2304420983	SDQSGFMIGUAMPO-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](CC)N(C)CC[C@H]1CCC(C)(C)C1	2304438852	FMUPONGAQSSPFX-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCC[C@@H]1CNCC	2307827131	UWJYYWPUGYBUCZ-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CC12CCCCC2	2307845343	QRJABLCPIXTHAI-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCC1CCCC1)NC	2307891595	DMOWRSWZAOOWQG-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C1CCCCC(NC[C@H]2CC[C@@H]3C[C@H]23)CCCC1	2308363609	SATMCOXGPSNDPF-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC1(CCN[C@H]2CCC[C@@H]3CC[C@H]23)CCCCC1	2309517807	LBDWIUIPPANPFZ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@]12CCCC[C@@H]1C2	2311147866	MSSCLZMODIVCDV-WCXIOVBPSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](C[C@@H]1C=CCCCC1)NCC	2311511642	DSNZPUBRKUVEQV-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2313333317	IGNKUOFZBMBRMD-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@H](N)CCC(CC)CC)cc1	2316237766	ISAWIZBIGOVBIE-QGZVFWFLSA-N	247.426	4.855	0	10	BJAE	
CCC(CC)CC[C@@](O)(CC)c1cccc(C)c1	2316243880	UDYABXLQHBGZCR-KRWDZBQOSA-N	248.410	4.809	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1CC[C@@H]2C[C@@H]2C1	2316511153	RAUOOCAYOLBCOR-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C[C@H]1C[C@H]2C[C@H]2C1	2316532915	UGSIETLHKWFRNW-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC(=CC=C(C)[C@@H]1CC[C@@H](N)C1)CCCC(C)C	2316558196	WJXWVWNDTIVBEP-IAGOWNOFSA-N	249.442	4.833	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@H]1C[C@H]2CCC[C@H]1CC2	2316793774	YSVNMUNXBLZMCY-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2CC1CCCCCC1	2316936257	APKNCQRFPRQWBQ-WNKDZCFJSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](Nc1cc(F)ccc1C(C)C)[C@@H]1C[C@H]1C	2317934844	WIJVHTDTWMPAOH-DFBGVHRSSA-N	249.373	4.796	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N1CC=CCC12CCCCC2	2318010496	FZBXDIWRDKLSSY-HOTGVXAUSA-N	249.442	4.632	0	10	BJAE	
CCN[C@@H](C)c1ccc(C)c(CCCC(C)C)c1	2318391780	GERKNILDDDOUNI-HNNXBMFYSA-N	247.426	4.644	0	10	BJAE	
CCC1(NCCCC2=CCCCC2)CCCCC1	2318541191	LPCBXWNWFVEFBX-UHFFFAOYSA-N	249.442	4.970	0	10	BJAE	
CC(C)(C)c1ccc2[nH]c3c(c2c1)CCCCC3	2318851158	SCPDLEZYXQTAGO-UHFFFAOYSA-N	241.378	4.734	0	10	BJAE	
CCCC1CCC(N[C@H]2CCCC[C@@H]3C[C@H]23)CC1	2319346348	ZLONIJUQALQUTK-BHIOZNAESA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C=C1CCC[C@H](CCN)C1	2320251985	FEAQHSVRJBOBLL-FVQBIDKESA-N	249.442	4.524	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@]2(C)C=CCCC2)CC1	2320389677	CLQUMTQZUVRROD-IKGGRYGDSA-N	247.426	4.587	0	10	BJAE	
CC1=CC[C@@](CN)(CC[C@H]2CCC(C)(C)C2)CC1	2321618114	ARRIGWSZMLKXRA-WBVHZDCISA-N	249.442	4.668	0	10	BJAE	
CC(C)c1cccc(N[C@H]2C[C@@H]3CC[C@H]2C3)c1F	2327807990	OTJWZRVGOCQQMH-XUJVJEKNSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](C)N[C@H](C)c1ccc(C(C)C)cc1	20545019	ZUZRVTDJPRDRGP-UONOGXRCSA-N	233.399	4.649	0	10	BJAE	
CC(C)[C@H](C)N[C@@H](C)c1cccc2ccccc12	20559992	VFBDKLWPEMKSOD-KBPBESRZSA-N	241.378	4.535	0	10	BJAE	
CC[C@H](C)CNc1ccccc1-c1ccccc1	21519348	NKDDRFHJYCBDBV-AWEZNQCLSA-N	239.362	4.812	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccccc2C)c(C)c1	21520149	WLZBYLHQZLCIBB-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C)cc1C	21793005	IICZCCGWBLYHJF-QRTARXTBSA-N	245.410	4.533	0	10	BJAE	
CCC(CC)CN[C@H](C)c1ccc(C(C)C)cc1	34996126	YNGYHRUIFBWAOS-CQSZACIVSA-N	247.426	4.897	0	10	BJAE	
CC[C@H](C)c1ccc(NCc2cccs2)cc1	35023441	XRUZNLHUAIPQLC-LBPRGKRZSA-N	245.391	4.874	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)C1CCCC1	36820079	GGPJSGKTJZGDIM-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](C)NCc1csc2ccccc12	54463709	KDUAIJPJLHTIRB-LBPRGKRZSA-N	247.407	4.570	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CCCCCCC2)C1	71105235	MUGHGISMDRWIDP-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)c1ccc(C(C)C)cc1	71163484	MPPVQICDXNFURD-DOTOQJQBSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)CC(C)(C)C	82674664	CADDFZRRSLYBSX-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1Nc1cccc(Cl)c1Cl	83390100	JRQHGHGACWRAMK-PSASIEDQSA-N	244.165	4.594	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(c2cccc(C)c2)CC1	86951364	JMWSXDRLAPLPGS-RDJZCZTQSA-N	246.394	4.563	0	10	BJAE	
CCC[C@H](C)CC(=O)C1CCC(C(C)C)CC1	87960318	UPUZNVZARSCKGY-NFOMZHRRSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCC[C@@H](CC)CC1	88296808	RLSJKAWVXZOZOW-JONQDZQNSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)(CC)NC(CC)(CC)CC	116839648	AHLDQDLSWNSJFC-UHFFFAOYSA-N	213.409	4.514	0	10	BJAE	
CCC[C@@]1(CC(CC)CC)CCCCCN1	128178308	FLBYIGKRTBVCCE-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@@H](CCC(C)C)c1ccccc1CC	158640508	BBTXACZDBDGJEW-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](C)C[C@H](C[C@@H](C)CC(C)(C)C)NC	162229008	FPNWVWQMOPPTQJ-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)CC(=O)c1cccc(Cl)c1Cl	168048414	NXIWMJGNOFDORW-QMMMGPOBSA-N	245.149	4.612	0	10	BJAE	
CCCc1ccc(N[C@H]2CC[C@@H](C)[C@@H](C)C2)cc1	220576859	OUCAYQOPJZTKOZ-KEYYUXOJSA-N	245.410	4.876	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NCCC2=CCCC2)CC1	228573834	IJMXHSOKOBQYHE-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)c1ccc(Oc2cccc(N)c2)cc1	232337025	MCTAOFCVECBSQM-GFCCVEGCSA-N	241.334	4.575	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C)Nc2ccccc21	232945809	VCUCPYPIBAGLOS-UONOGXRCSA-N	231.383	4.945	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)c1csc(Cl)c1	233346973	BYCRYMGBUTWHLA-ONGXEEELSA-N	245.819	4.631	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CC[C@@H](CC)C2)C1	251626077	LUNBSKJURIBGPO-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCC[C@H]1C	300234787	OZBFFZLHSFCDRG-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H]1CCCC1(C)C	300284739	PHSHGDJNXGBZBF-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CSc1ccccc1NC[C@@H](C)C(C)(C)C	304299262	OTWPRAPPBMZZNV-LLVKDONJSA-N	237.412	4.503	0	10	BJAE	
CCOc1c(Cl)ccc2c(Cl)csc12	306641201	LNRMUTGKRRNDLK-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CC1CCC(C)CC1	310100013	BBKULHBXKDLUEB-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(O)CCCCC12CCCC2	310115432	CDJHPRZQNAOOND-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2C[C@H]3CC[C@H]2C3)n1	310456474	ZHRSIRNNQXKCOH-SDDRHHMPSA-N	249.423	4.734	0	10	BJAE	
CC(C)c1ccc([C@H](N)C2(C)CC2)c(C(C)C)c1	310986024	YTTXOYLNNAWFGV-INIZCTEOSA-N	245.410	4.733	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)c(CC)c1)C1CCC1	322251509	DAEZJYYDUCKKTM-QGZVFWFLSA-N	245.410	4.938	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C(C)(C)C1CCC1	322943618	MXCJVTJCPMKQAU-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCc1sc(-c2ccccc2)nc1C1CCC1	322947523	QSBLNPLSTAHQKZ-UHFFFAOYSA-N	243.375	4.640	0	10	BJAE	
CC1(C)CC[C@@H]1Nc1cc(Cl)ccc1Cl	379776303	ABGRLQFOQWPJEC-NSHDSACASA-N	244.165	4.594	0	10	BJAE	
CC[C@@H]1CC[C@](O)(CCCCCC(C)C)C1	383131570	DCFUQGWGBGIYRA-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(CCCCCC(C)C)C1	383246156	VUUBJDOQTGEKEN-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CC1(C)CCC(CC2(CO)CCCCC2)CC1	383455023	BJGGICBAPGYHGK-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCCc1ccccc1[C@H](O)CCC1CCCC1	384484951	HWZDLLZWHJLYRV-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CCCC[C@@H](CCC)NCCC1=CCCCC1	385105734	BWFACPSRDWKVRW-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CC[C@H](C)CCNc1ccc2sccc2c1	394407286	QNBQLIZCPMFTFX-NSHDSACASA-N	233.380	4.749	0	10	BJAE	
CCCC1(NC[C@@H]2CCCC[C@H]2C)CCCC1	394864535	SPTWVOILYOWWGY-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C[C@](C)(O)CC(C)(C)C)C1CCCCC1	395010075	TWXNYZIBAXUHHG-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCCN[C@@H](CC(C)C)c1ccccc1	397760097	KBBKXMHBEUHJCW-KRWDZBQOSA-N	245.410	4.720	0	10	BJAE	
Cc1ccc2oc(C(=O)[C@H](C)C(C)(C)C)cc2c1	399195971	JAKWJRYJTBEHIE-NSHDSACASA-N	244.334	4.606	0	10	BJAE	
CCNC[C@@H]1CC[C@@H](CC)C[C@@H]1CC1=CCCC1	400526202	ALSFOOCLOOGWPC-HYVNUMGLSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC[C@H]1CCCC[C@@H]1CC	401935239	DZJQXDNJPZAMLJ-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)c1coc2ccccc12	404298944	PGHXMTBVGJUROI-CQSZACIVSA-N	245.366	4.505	0	10	BJAE	
CCCC(O)(CCC)CC(C)(C)c1ccccc1	686650084	KDOSYGNNASXENB-UHFFFAOYSA-N	248.410	4.686	0	10	BJAE	
CCCC1([C@H](O)c2ccccc2C(C)C)CCC1	686928456	YSDRGCWBWMLQFS-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)[C@H]2CC2(C)C)c1	689516904	IXHJYVCPSNXFPV-IUODEOHRSA-N	245.410	4.658	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(C)c(OCC)c1	689661866	ONMUELIYEZPZQQ-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
C1=CC[C@H](CNc2cccc(C3CCC3)c2)CC1	690120824	HLPIAZSUTHADFR-AWEZNQCLSA-N	241.378	4.722	0	10	BJAE	
CC[C@H](Nc1cc(C)c(Cl)c(C)c1)C(C)C	690263614	ZWBDWUHUJDDFTE-ZDUSSCGKSA-N	239.790	4.803	0	10	BJAE	
Cc1cc(NC[C@H]2CC=CCC2)cc(C)c1Cl	690305037	QLJKIODRWAIMLB-ZDUSSCGKSA-N	249.785	4.725	0	10	BJAE	
C1=CCC(CC[C@@H]2CCCc3ccccc32)C1	692119039	GXAMHIYZNAELDX-INIZCTEOSA-N	226.363	4.853	0	10	BJAE	
CC(C)C(N[C@H](C)CC1CCCCC1)C(C)C	694620294	WYUZDXVHSUPRMA-CQSZACIVSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@H](CCC(C)(C)CC)C1	696783476	ROKFZZXFIUTCEK-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C2(C(C)C)CC2)c1C	697654351	JYLQAASGVPWNFV-UHFFFAOYSA-N	244.378	4.539	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)c1ccccc1C	697775160	QBJOBPGMGYWVBV-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2C[C@@H]2C(C)(C)C)c1	699838832	WCCRAGTZBMIQRW-GJZGRUSLSA-N	244.378	4.675	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)(C)C)C(C)(C)CC	701132614	RBAOLAYNOUMVKH-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC(C)NC[C@@]1([C@H]2C=CCCCCC2)CC1(C)C	702215109	MRSCJDNYOAMHFH-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](N)(CC1(C)CCCC1)[C@H]1CC1(C)C	704471179	CBJFRRATKMUGLK-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)([C@H]1CCC[C@H](CC)C1)C(C)(C)C	704912664	JCHJDPUNHKGFEC-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)CNCC[C@H]1CC=CCC1	706866903	GDHVBNKJEGQLTF-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CCC(C[C@H](N)C23CCC(CC2)C3)CC1	710976157	FVSMLWGUJCYWGM-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C[C@@H](CC1CCCC1)NC)C(C)(C)C	711097333	ROXNBFAZJDEPQY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@](O)(CC)c1ccccc1	711270773	SDTIPKINTIEVFB-MRXNPFEDSA-N	234.383	4.501	0	10	BJAE	
C1CCCC(CCN[C@@H]2C[C@@H]3CCCC[C@H]32)CC1	712519502	RWEVQFSVRMQXNU-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](CNC)C1CCCCCC1	713154087	RSBVFGGXQAMNJK-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)C[C@H]1CCCC[C@H]1CNC(C)(C)C	713166009	CULSPVBQJNDLMO-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@H](C[C@@H](C)C(C)(C)C)NCC	713688559	WTWJTMGZVVCTJZ-KMUBWGIJSA-N	237.431	4.559	0	10	BJAE	
CCC[C@H](C)CC1(CNC2CC2)CCC=CCC1	718040589	RYJRBVSTASTUGT-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C[C@@H](C)CC(C)(C)C	718598933	CPWOYDLXSWFECB-UKRRQHHQSA-N	239.447	4.913	0	10	BJAE	
c1ccc(CCSCC2CCCCC2)cc1	1307293937	PBPUPYQPDTTWKE-UHFFFAOYSA-N	234.408	4.543	0	10	BJAE	
CC(C)[C@@H]1CCCCCN1CCCC(C)(C)C	1653916299	GFONAWSEPWFWSB-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCCCCc1cccc(C)c1Cl	1889493749	JPFYRFXEZHJLLG-UHFFFAOYSA-N	210.748	4.771	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H](C)CC1CC1	1899400975	KNKFKGUULTWJRL-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](O)CC1CCCC1	1905365087	FJTJTEKRYPPMOI-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)CC1(C)CCCC1	1905433626	VQTMHJFCBYLVLO-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H](CC)CCC	1905451355	UETLGDNSIUTPQR-UONOGXRCSA-N	226.404	4.988	0	10	BJAE	
CCCN[C@@H](CC1CC1)C1CC2(CCCCC2)C1	1912630103	YTSWZTLEQOCPSJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(CCCC(C)(C)C)C=CCC1	1916376999	VUNNFFQGYSYJJF-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCC3(CCCC3)C2)CC1	1916431994	XGQINXQCRMHBMN-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCc1cccc([C@](N)(CC)C[C@@H](C)CC)c1	1920208536	UUKJFUBZPHLBKT-YOEHRIQHSA-N	247.426	4.639	0	10	BJAE	
CCCC[C@H](CC)CC1(CNC)CC(CC)C1	1921176563	PNRWMXMFLJZQBD-FHERZECASA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@@H]2CCCC23CCC3)CC1	1921601005	GKOCYVVURPLSEQ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@]1(CNCCC)CCCC12CCC2	1921645768	VURUANSMJROIRJ-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
C[C@@](CO)(CC1CCCCC1)C1CCCCC1	1923912278	ATYWNXYZKSOGNE-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H](C)C1CCCC1	1924079974	ZUXQXRZWVPXQSM-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCc1ccc(C[C@H]2C=CCCCC2)s1	1925819451	KPDQVZZODZKFSX-LBPRGKRZSA-N	220.381	4.599	0	10	BJAE	
F[C@@H]1CC[C@H](CC[C@H]2C=CCCCC2)C1	1925821572	WAEORWFBFJZFRB-MELADBBJSA-N	210.336	4.651	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H]1C=CCCCC1)NC	1925900467	GRPXNVYOJAHNHF-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCC(O)(CCC)CC1(C)CCCCC1	1935623906	WUZWMLQJUJAUSL-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)c1cscc1C	1938831241	VPUHPTCTTSSYIX-OCCSQVGLSA-N	239.428	4.519	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2(C)CCCCC2)C1	1940378510	KGDBICPUQJWJCE-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)C[C@H](C)C1CCCCC1	1941268619	HWMQDZXKQMGHSH-IMJJTQAJSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(Cl)cc2c3c([nH]c12)C[C@@H]1CCC[C@@H]31	1950249767	QDRGWFVZTJELHG-GXSJLCMTSA-N	245.753	4.570	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)[C@@H]1CCC[C@@H](C)CC1	1950916638	JMTNKVPKRNXBMJ-QXSJWSMHSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC)CCC[C@@H](C)CC1	1950925926	XWOPBJUAZCBSMT-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1cc(C)c(Cl)s1	1960259972	YYFDOFMWKHGQHO-WCBMZHEXSA-N	245.819	4.536	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCc1ccc(C)c(C)c1	1963172497	BAYWWUZKEDYEQK-GUYCJALGSA-N	247.426	4.608	0	10	BJAE	
CC[C@@H](NC1CC(C(C)(C)C)C1)c1ccccc1	1968549032	DLPLQDUSYWVNMF-UYSNPLJNSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCCC2(CCC2)C1	1970830307	SXSUHZNPJGRHDZ-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)C12CCC(CC1)C2	1973846877	DGZAGCJNUNRXAU-JWMHWRSXSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](Nc1ccsc1)C1CCC(C)(C)CC1	1975980297	UFIDLWBUQWOCIE-LLVKDONJSA-N	237.412	4.765	0	10	BJAE	
CCCN[C@H]1CCCCCCC[C@H]1CCC	1980351516	OMQZEOCKZNIBSC-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](CC)CCC(C)C	1986936801	GTYFARGNSJBZQR-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCCC(C)(C)NCCCCCC1CC1	1987101966	MYYIZAWGOJIQBY-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC1CCC(CC(=O)C(CC)CC)CC1	1989837382	RZVOGECQKDRJGU-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](CC)Nc1cccc(C)c1	1990091491	OBJJHJIEXNWRAV-AWEZNQCLSA-N	219.372	4.766	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H](C)CCC	1995262462	NMDZGSAYAJHTHB-KKUMJFAQSA-N	227.436	4.747	0	10	BJAE	
CCCC(C)(C)c1nc(C[C@H](C)CC)cs1	1995443791	CVVJEAFWPXCGBJ-LLVKDONJSA-N	239.428	4.809	0	10	BJAE	
CCCSc1ccccc1NC1CCCCC1	1996572297	CLSOPDYIKKKRSE-UHFFFAOYSA-N	249.423	4.933	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@H]1CC=CCC1	1997555081	XJKLCIYFJNXYMR-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
Cc1ccsc1C(=O)C[C@@H]1CCC=CCCC1	1999978185	AXVZPQWKDCFRFE-CYBMUJFWSA-N	248.391	4.766	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(O)CCCCC2(C)C)C1	2000029194	WVBKLGBMOCDWKF-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)C[C@@H]1C=CCC1	2000520604	MIDYDPCSLFFUBD-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)C[C@@H]2CCC[C@@H]2C1	2000832711	WSTUYZMPHBARCT-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@@H]1CC12CCCC2	2001270490	CWJUXESYPDEYPC-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H](C)C(C)(C)C)CC1	2002928651	ZGOIDXKHEARZMT-HESLUPGFSA-N	239.447	4.616	0	10	BJAE	
C[C@H](NC1CCCCCCCC1)C1CCCC1	2003097677	BSLFHPCEZYXWIA-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCCCC[C@@H]1NC	2003098524	KLTYMIHBRMBIQQ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
O[C@H]1CCCCCCC[C@H]1C1CCCCCC1	2003118472	RUCPDNWSJVCFEJ-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](NC)c1ccco1	2003679647	JHJRMFQTZFGUFW-UONOGXRCSA-N	237.387	4.537	0	10	BJAE	
CC(C)CCC[C@@]1(CO)CCCCC12CCC2	2005578929	FEWUYQNLRJUJOH-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1C=CCCC1(C)C	2006895202	QJHFKYKWGZJEMO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H]1CCCCCCCC[C@H]1O	2009590198	PGUQYMRZIXKBNP-TWTBHFKPSA-N	238.415	4.844	0	10	BJAE	
CC=CCCCNC[C@@H]1CCC[C@@H](CC)CC1	2009591622	IRGRSHHOVZRMHP-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
Cc1cc(Cl)ccc1NCC[C@]12CCC[C@H]1C2	2010995298	OGOPZHLMXRQMDI-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCC1CC(CN(C)CC(CC)(CC)CC)C1	2011249764	VUQUTZNEXVFZRH-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@H]1CCCCCC12CC2	2011275866	WKZAELRWECBQIR-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C(=O)CC12CCC(CC1)CC2)C(C)(C)C	2012805232	CTFUPPWPSWRHTQ-VEAWUBTESA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C)CCCC12CCC(CC1)CC2	2012836745	PMGSJGGHXSOLPP-FHERZECASA-N	237.431	4.515	0	10	BJAE	
CC[C@@](N)(CCC[C@H]1CC1(C)C)CCC(C)C	2013297054	PYSBNXLIIPRJPA-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CCCC1CCC1	2013307351	VKSNQLHXFUTURN-MRXNPFEDSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](C)CN[C@H](CC)CC1CCCCC1	2013470964	NHYHJWHHEZHXHD-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCCC1(N)CC(CC(C)(C)C)C1	2014653905	AXJJIRRKMLJOGX-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CC(C(C)C)C(C)C	2015272186	CJBQMDANNVNPMW-GOEBONIOSA-N	242.447	4.738	0	10	BJAE	
CCC1CCC([C@](C)(N)C[C@H](C)C(C)C)CC1	2015395744	AYZGOUKDRQPCQO-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](CNCC(C)C)CC(C(C)C)C(C)C	2015413309	UKEHEBXJACQFOM-OAHLLOKOSA-N	241.463	4.577	0	10	BJAE	
CCCC1(C[C@@]2(O)CCC[C@@H]2C(C)C)CCC1	2015630645	BCRFOXFHACYNFG-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C[C@]2(O)CCC[C@H](C)CC2)CCC1	2017112945	TVVBZYJYOFGCLO-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CC1(C(C)C)CCC1	2017122065	WTIFTCHNRJANTI-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CC(C)=C(C)CNc1cccc(C2CCC2)c1	2017424369	PEWYKMVTWAHGCJ-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CCC[C@H](C)[C@H](O)C[C@H]1CC[C@H](CCC)CC1	2017650187	DMEMOOYNUOUNRV-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(CCC[C@H](NC)C(C)C)CC1	2017737022	MMUJRMBJMZNFPN-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(N(CC)CC(CC)CC)CC1	2019162129	BAFHELOEVWPHPT-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCCCCC[C@@H]1C	2019201586	SMSRAXQEDRCFBB-XHSDSOJGSA-N	237.431	4.610	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)[C@@H]1C=CCCCC1	2019503197	MNIMRNZMNNMAGK-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCN(C[C@H](C)CC(C)C)[C@H]1CCCC1(C)C	2022048751	IUNRKJMBOMKOFJ-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CN(C[C@@H]1C=CCCCC1)c1cccc(Cl)c1	2024669390	RXGIJZCXDYVGKM-CYBMUJFWSA-N	249.785	4.523	0	10	BJAE	
CC1(C)CCC[C@H](c2nc(CC3CC3)cs2)C1	2026539588	FCJGRSIOGYMJOL-LBPRGKRZSA-N	249.423	4.779	0	10	BJAE	
N[C@@H](CCCCCC1CC1)CC(C1CC1)C1CC1	2028645511	JRSCCDWTDUDMTK-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1[C@H](N)[C@H](C)CCC(C)C	2029823185	GUSPUNDDRQFRSU-RHSMWYFYSA-N	247.426	4.711	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](N)(CCC2CCCC2)C1	2030279273	GWMVTPIRPDULQV-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@@H]2[C@H]3CCCC[C@H]32)CC1	2033522562	IGXVGTMYERKBRG-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CNC2CC(C3CCCCC3)C2)CC1	2033829068	DOIDZBMZJVLSPB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@@H]1CCC[C@H]2CCCC[C@H]21	2035554140	FFRVPFURDMKJPD-KLHDSHLOSA-N	246.394	4.518	0	10	BJAE	
CC1(CC2(N)C[C@H]3CCCCC[C@@H]3C2)CCCC1	2035857636	DMTRCZZVNSYDIW-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@H](N[C@@H]1CCCCC12CCC2)C1CC1	2035883899	AATKDFPLHIYYTH-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)CC1CC2(CC2)C1	2036724400	LZILKTUQXDOJLL-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1CCCC1(C)CC1	2037221060	PPTGXBXYHJYEOF-KGLIPLIRSA-N	243.394	4.802	0	10	BJAE	
CCCC1CC(C(=O)[C@H]2CCC3(CCCC3)C2)C1	2037684366	ZIPOYCBXMOACLD-SLTAFYQDSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@@]1(N)C=CCCC1(C)C)C1CCCCC1	2037873158	ZNBWDWASMWTUNV-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](N[C@H]1CC12CCCC2)C1CCC(C)(C)CC1	2040638158	IXPVALDMVWADBI-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
C[C@@](O)(C1=CCCCCCC1)C1CC2(CCC2)C1	2043546382	HXHMKBJBIWRHON-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC=CCCC1)C1(C(C)C)CC1	2045327025	SFDNFXBIHMDPFT-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CC1CCC(C)CC1	2045681472	ZJSKNEIKTYRYCG-LXDKRTHCSA-N	248.410	4.764	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@H]1CC12CCCC2	2047011575	XZVCEZCEISRJAH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC12CCC2)CC1(C)CCC1	2047940530	VTSXUMGCSYPHMV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2CC23CCCC3)C1	2049509115	QIRZYMFNNRBMNH-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
NCC[C@@H]1CCC[C@H](CC2CCC3(CC2)CC3)C1	2049852776	CMSRQUGLJVHNII-HOCLYGCPSA-N	249.442	4.502	0	10	BJAE	
CC(C)NCC1(C[C@@H]2CCC3(CC3)C2)CCCC1	2049854241	JGHMIZIZLXYATI-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC2CCC3(CC2)CC3)C1	2049857880	QHJBFEYBZXTBJS-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)CC1CCC2(CC1)CC2	2049930464	ULPUNDRBGYFJJB-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@@H](C)C1)[C@@]1(C)C=CCCC1	2050000949	SMBNHLWJBSFCRJ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)C1CC2(C1)CC(C)(C)C2	2051408965	ZUQARZYEXNEGRK-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCCC[C@@H]2C2CCC2)C1	2051667380	BNJNHBIPNIZYMJ-HZPDHXFCSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H](NCC1(C)CCCCCC1)c1ccco1	2052513937	YZIIJVGNJGJKQJ-CQSZACIVSA-N	249.398	4.681	0	10	BJAE	
CCc1ccc(NC2CCC(C)(F)CC2)cc1C	2053903842	XVZSCWRWXNAVHA-UHFFFAOYSA-N	249.373	4.640	0	10	BJAE	
Cc1cccc(C(=O)C2(C)CCC(C)(C)CC2)c1	2056539698	OSLTVUTZGNYEHD-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CCC1CC(CC(=O)[C@]23CCCC[C@@H]2CCC3)C1	2056665395	CGKJPFHIDHYOAT-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)c1c(C)cccc1C	2059177009	GDOGUTAQTJIKTF-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CC1(CC[C@H](N)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1	2059180557	LKQBWAMOLZNHHQ-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C12CCC(CC1)CC2	2059266341	FLRUNHMOSYQQSH-LWUFZGFSSA-N	249.442	4.681	0	10	BJAE	
CCCCN(CCC[C@H]1C[C@H]1C)c1ccccc1	2062629290	DLXBLQRKBVVECB-CVEARBPZSA-N	245.410	4.729	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063486080	GYWALCPYYBWAHM-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063489407	YNAQYPKHFGARAO-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCC1	2063496267	IOFYPDAGVCNONG-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN2CC[C@@]23CCC(C)(C)C3)CCC1	2069268390	QFAKCQLSSUNDCA-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2CC[C@@H]3C[C@@H]23)CC1	2071048613	CVDVPTHSUFYUDK-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1(C(C)(C)C)CCC1)C1CC=CC1	2071947197	XYUSGVDRRLBEFK-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(N)CCC[C@@H](C3CC3)C2)CC1	2072794612	WHGOZMAHZNFPJT-MUIFIZLQSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN2CCCC[C@@H]2C2CCCC2)CC1	2074587958	AALPEPNKKOMAAU-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H]2CC(C)=C[C@H](C)C2)CC1	2074638385	FCSXLMLRDCQLBJ-BPUTZDHNSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC(N(C)[C@H]2C=CCCCCC2)C[C@H](C)C1	2074796318	GKOVHKLPYWEXAM-OAGGEKHMSA-N	249.442	4.632	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](O)CCC2=CCCCC2)C1	2075717722	PMCLDWVQIIFKJC-JQFCIGGWSA-N	248.410	4.620	0	10	BJAE	
CC(C)=CC[C@@]1(N)CCCC[C@@H]1C1CCCCC1	2075825661	DXCXORMIAKUQJM-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H](C)c1ccccc1	2077197622	SFJDEHKGOWIULZ-WMLDXEAASA-N	245.410	4.515	0	10	BJAE	
F[C@@H]1CCCC[C@H]1Nc1ccccc1C1CCC1	2077261632	BCTPOCNGNUOULH-GDBMZVCRSA-N	247.357	4.647	0	10	BJAE	
CCCCC1CCC(N)(C[C@H]2C[C@H]2C2CC2)CC1	2079312712	RHRYBPULAOVPFY-YTWPKEEVSA-N	249.442	4.501	0	10	BJAE	
N[C@H](C1CCCCC1)[C@@H]1C[C@H]1C1CCCCCC1	2079427405	ILCHHNBOBRXIBN-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@@H]2C2CCCCCC2)CCC1	2079640830	DRGBEBJTNGCTSN-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1cccc2ccccc12	2079656241	MZUCCASJXSJNID-CABCVRRESA-N	239.362	4.688	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@@H]2C[C@H]2C2CCCCCC2)C1	2079661950	RYPRPCIMHSTCSS-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1CC(=C2CC2)C1	2081777206	BWITZEDJPKADRY-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CC1(C)CCC[C@H](CC2(CN)CC3(CCC3)C2)C1	2082981243	BRBMCXJLGQKEEU-AWEZNQCLSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](CC(=O)CC1C2(CC2)C12CC2)C(C)(C)C	2083523909	UROXBOJDYWCMTI-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
c1ccc(C2CC2)c(-c2cccc3c2CCCN3)c1	2088960100	DWAWBGZJWVBQPZ-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1CC[C@@H]1C)NCC	2214960072	NJUQHHMZTOWVLS-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@@]1(C)C[C@@H]1C	2214995648	ATYARFTUKMVGPM-ZUZCIYMTSA-N	247.769	4.649	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)CC1(C)CC(C)(C)C1	2215377837	MLAVWKMFIHAYAK-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@]1(CCCCCCCC2CC2)CCCNC1	2216862536	LAOHSEAWYSYYAZ-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC)CNC1CCC1	2217123898	CFTAKJZEKHUEAW-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CN[C@@H](C)CC)CC(C)(C)C(C)C	2217135743	JTKXZRZJXZKPFN-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCCCCC1(CN[C@H](C)CC)CC(C)C1	2217152120	BFGRROJGNUJVSS-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)C[C@H](C)CC(C)C	2217157326	RWWQYPNVDUHGMI-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
O=C1CCCCC[C@@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218333167	OKMBEALBXLWXKT-OFQRWUPVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218357262	QDVMTHBQTUEONN-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1CCCCC[C@@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218357714	SEBADABXJFICRF-XJNFMUPTSA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C=CCC1	2218378473	RVCOJFBALLWTEA-WBTNSWJXSA-N	246.394	4.518	0	10	BJAE	
C[C@]12CCCC[C@@H]1CN2CCCCCCC1CC1	2218731928	NERFLAQRKKIJNT-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
N[C@H](CCC1[C@@H]2CCCCC[C@@H]12)C1CCCCC1	2220298649	JZXRTOWYKSIJDB-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CCC(O)(CC)CCCCCC[C@@H]1C[C@H]1C	2243903325	SJZPONLWUYWCCO-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C[C@@H](O)CC1(C)CC(C)C1)C(C)(C)C	2246528510	ZUTDOLXXFIBBQE-MYMJJRTCSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)CCC(C)(C)C)C1	2246671451	XUIZKBWPDXNLCY-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)CCN(C)CCCC[C@H]1C[C@H]1C	2247166178	OTHDQLVSNFGCDZ-ZBFHGGJFSA-N	239.447	4.571	0	10	BJAE	
CCC1([C@H](N)CCCCC[C@@H]2C[C@@H]2C)CCC1	2248855244	RSBPOLHBHJFPMW-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCC1([C@H](N)CCCCC[C@H]2C[C@@H]2C)CCC1	2248855245	RSBPOLHBHJFPMW-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(NCC2(C)CCCC2)cc(C)c1C	2249489624	ASRGVTHWLDXAKD-UHFFFAOYSA-N	231.383	4.604	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC[C@@H]1CCC[C@H](C)C1	2250361380	MHLOAQGFHODIBC-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)C[C@@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251703899	XSWVWIOEVBPEPA-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
CC1(C[C@H]2C(=O)C(C)(C)CCC2(C)C)CCC1	2251710322	BAOJQXBFHIBQRE-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@]1(CC2(C)CC(C)C2)CC=CCC1	2253661354	GYBTWESDQYHEKE-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H]1CCCC[C@@H]1CC1CC2(CCCC2)C1	2254105061	FQXJDQSDMPYRRK-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@H]1CCCCC12CCC2	2254520052	GWWGGBSRKVKKQO-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2CCC23CCC3)CC1	2255027764	URLWLJZIQXDFKS-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@H]2CCCC23CC3)c1	2255316585	ABMMYUXHVIPSIY-HNNXBMFYSA-N	242.362	4.538	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCN1CCCC12CCCC2	2257300690	FOXZTFHBCXIDHH-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCC1(C(=O)C[C@]23CCCC[C@@H]2CC3)CCCC1	2260578501	LXIZXYYYHNOEBJ-RHSMWYFYSA-N	248.410	4.886	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@@]23CCCC[C@H]2CC3)CC1	2260579629	SFFRPYCIJQKKDJ-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CC=C[C@@H](C)Cc1ccc(Cl)c(Cl)c1	2296091695	KBLQODUXSDVOOC-SECBINFHSA-N	229.150	4.748	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@H](C)C1CCCCC1	2300680493	FBTAXVPYSWUBDM-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CC(=CC[C@@H]1CC[C@H](N)[C@H]1C)CCCC(C)C	2300881287	RKZULVMCXRPNDW-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
C[C@H](CC1CCCCCC1)[C@H]1CC[C@@H](N)CC1	2301188433	LCWYAXZVKRGJPP-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1C1(O)CCCCCCCCC1	2301291195	NVFLZOAUVWOXAQ-FICVDOATSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)CCC1=CCCCC1	2301920919	IWISHZCXCFHQQI-ZBFHGGJFSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC[C@@H]1CCCC[C@@H]1N	2302512078	BJIVXJCCWKTULH-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCc1cscc1N[C@H]1CCCC12CCCC2	2302891424	CBHZNRPBTQCXIZ-AWEZNQCLSA-N	249.423	4.835	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)CCC1CCC1	2303478580	RTSMQBDSQHLRKD-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
CCNCCC(C)(C)C[C@H]1CCC(C)=C(C)C1	2303579078	JQKXLKPASGVGGX-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCC1([C@H](O)CC[C@@H]2CCC(C)(C)C2)CC1	2304357620	ARSKGOSSPCPHEV-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CCCC[C@@H](O)C(C)(C)C)C1	2304447042	KKHUBLNIWDQQTG-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1CC2(CCCC2)C1	2307905233	WDJYZEYZDHEDGV-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1(C)C(C)(C)C1(C)C	2307906036	BJKAZADFLGLVEH-QWHCGFSZSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)C1CC(C)(C)C1	2307907974	FLVBCMUCSSMQLH-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCC1	2311608539	NIIULXCYCBUKHX-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@@]12CCCC[C@@H]1CC2	2313312839	ZQMUQIGNCFXPQL-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C(CC1CC1)CC1CC1	2313686530	NABQICCNQFFDCM-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCC(=O)C[C@H](C)c1ccccc1	2316268704	MHYBZCZKLFHQMO-AWEZNQCLSA-N	246.394	4.966	0	10	BJAE	
N[C@H](C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCCC1	2316880769	ZDHCZBCZKWNCFJ-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@](C)(N)CC(C)(C)Cc1ccccc1	2317288511	WQSFLYIFJDXDGV-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
CCc1cccc([C@@H](O)CCC2=CCCCC2)c1	2317982990	LISZPVZIROQXBD-KRWDZBQOSA-N	244.378	4.563	0	10	BJAE	
C[C@H](CN(C)CCCC1=CCCCC1)C1CCC1	2318581459	WXOZCGLQVLGPGJ-OAHLLOKOSA-N	249.442	4.635	0	10	BJAE	
CCN[C@H]1CC[C@](C)(CCCC2=CCCCC2)C1	2318582629	FTIPHZACJBZJQV-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
N[C@@H](CCCCC1CC1)CCCC1=CCCCC1	2318872267	MKUMHNPQGYWRLD-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@H]2CC23CCC3)cc1	2318905289	ISZSZGCNNLPNQZ-UKRRQHHQSA-N	243.394	4.802	0	10	BJAE	
CCCCC[C@H](NC)c1cc(F)ccc1C1CC1	2319179440	ZIZKWAPFQCTUPD-INIZCTEOSA-N	249.373	4.544	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCCC[C@@H]3C[C@H]32)CC1	2319329005	LEXVADBQDMEEHL-OWUKFGMTSA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@H](N)CC[C@H]2CC[C@H]2C2CC2)CCCC1	2319734842	SHJNPKVTOIKOSN-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CN[C@H]1C=CCCCCC1	2320161552	XVTXIURTOPVPEV-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C[C@@H]2C[C@H]2CC)cc1	2320332226	WGMQIKYDHNVLGF-UWWPHRKUSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)C[C@@H]2CCC(C)=C(C)C2)C1	2320335889	XRYPDFMXFLUHGR-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CCC(C)=C(C)C2)C1	2320339747	GXHABJFWGNGRGJ-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@]2(C)CC=CCC2)CC1	2320421546	WBQMPAXVRVTKRF-RDJZCZTQSA-N	246.394	4.829	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1cccc(C2CCC2)c1	2320657314	OIIHYIIMLKIYBN-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2CC23CCCC3)C1	2321610870	LDSROGPUFVHHDL-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
Cc1ccccc1-c1csc2ccccc12	16945993	NLGOHBSCADRXCG-UHFFFAOYSA-N	224.328	4.877	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2C[C@@H](C)CC(C)(C)C2)c1	20471623	GLQUKRNPLGYZPU-OLZOCXBDSA-N	249.373	4.761	0	10	BJAE	
CCC1CCC(N[C@@H](C)c2ccccc2C)CC1	21502257	HJVVJWQXSOTMIE-FHERZECASA-N	245.410	4.614	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CC)c1ccccc1	36792445	XODMGODKZIVQEI-GOEBONIOSA-N	233.399	4.696	0	10	BJAE	
CCC(CC)Nc1ccc2oc(C(C)C)nc2c1	37136851	WCGYQPDBARMZDM-UHFFFAOYSA-N	246.354	4.552	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)CC2CCCC2)cc1	38137894	DTCCCTMORHUUFY-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CCCN[C@H](c1sccc1C)C(C)(C)CC	54402968	IITNWEUGKUFTIL-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCCCCNc1ccc(OCCCC)cc1	66165530	KJYNPAXGUSUBOD-UHFFFAOYSA-N	249.398	4.858	0	10	BJAE	
Cc1ccc2c(C)c(C)c(C)c(C)c2c1C	71788895	CVWFJUBRAMWDEK-UHFFFAOYSA-N	212.336	4.690	0	10	BJAE	
Cc1cc(C)c(NCCC2CCCC2)c(C)c1	78526201	IHCTZMSTJCWNPW-UHFFFAOYSA-N	231.383	4.604	0	10	BJAE	
CCCCCCC(CC)(CC)CNCCC	82441842	SFRFGIFWUUTKFW-UHFFFAOYSA-N	227.436	4.763	0	10	BJAE	
Cc1c(Cl)cccc1Nc1cccc(F)c1	82714929	WNFIIFWWZYQITQ-UHFFFAOYSA-N	235.689	4.531	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NC1C[C@@H](C)C[C@@H](C)C1	84974143	GINYFYJRKXBWSL-WHWZVRATSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](C1=CCCC1)c1cc(C)c(C)s1	87566904	ONKSKUSDNSMNEP-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CCCc1ccc([C@H](C)Nc2ccsc2)cc1	90866310	NGAQZYFVBFCUHW-LBPRGKRZSA-N	245.391	4.874	0	10	BJAE	
CCCN[C@H]1CC[C@H](C(C)(C)C)C[C@@H]1CCC	109666759	SDXBKZUVEFLNCS-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccc(Cl)c(C)c1	124248372	BSWPYTWPYHIQQW-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
CCCCCC[C@@H](CC1CCCC1)NCC	124780135	PUHPXTNMEILRMH-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC1CCC(NC2CCC3(CCCC3)CC2)CC1	129204927	PSWMOLIPMYFYKV-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H]1CCC[C@H](C)C1	148284864	BGCKFVRLYKTMRL-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CNc1ccc2ccccc2c1)C(C)(C)C	163042155	HVWHROOMSLTTJC-CYBMUJFWSA-N	241.378	4.934	0	10	BJAE	
CCCC(O)(CCC)[C@@H]1CCC[C@H](CC)C1	163754315	LEAWVEAJKMYEAL-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
FC(F)(Cl)/C(Cl)=C\C1CCCCC1	197542705	ODSFZALCCPWNES-SOFGYWHQSA-N	229.097	4.521	0	10	BJAE	
CCCCCN[C@@H](c1ccccc1)C1CCCC1	204693332	AOQYLBTZKWZCTR-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1cccc2ccsc12	211152839	CBVJQJZBFJIVHA-CYBMUJFWSA-N	247.407	4.598	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](C)c1cc(C)ccc1C	212822267	YHOWOFIYWVTXRW-RDJZCZTQSA-N	247.426	4.575	0	10	BJAE	
CC(F)(F)CCCCC(C)(C)CNC(C)(C)C	222349285	JOPXHNKKDDGATH-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
CC1(C)[C@H](N)[C@@H]2CCCCCCCCCC[C@H]21	227348028	BHBKEEGVZJMMPA-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](C)[C@@H](NCC)c1ccccc1	229078794	BLWNKCCXRIJONN-YQQAZPJKSA-N	247.426	4.800	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)c1	229188778	JJXKUINNJFTMQS-SOUVJXGZSA-N	244.378	4.558	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1cccc(C)c1C	229346498	RODBTXJLRPKABT-ZBFHGGJFSA-N	234.383	4.553	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NC[C@@H]2CC2(C)C)cc1	232765264	XEDFTQNPEAEPIB-CJNGLKHVSA-N	245.410	4.507	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCC1(C)CCCCC1	234055037	JQYVPWKFEOJICX-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(Cl)c(OC2CCCC2)c1Cl	238495540	VQAFWWUGFSRRBC-UHFFFAOYSA-N	245.149	4.623	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)[C@H](C)C1CC1	252905781	SPOUXEIMEGNXEW-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCCC(C)(C)C1	300910913	RYOJTZSQQRIJJD-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
N[C@@]1(CCC2CCCCC2)CCC[C@@H](C2CC2)C1	302253126	LNKAUEWYVOOXJK-IAGOWNOFSA-N	249.442	4.645	0	10	BJAE	
CCOc1cccc2c(Cl)c(Cl)sc12	306868002	QFYKUXSZUZJECV-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)C[C@@H](C)CC(C)(C)C1	309995355	SDKJAVAFJJIACQ-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](O)CCC1CCCC1	310184296	UYUSDLQCOXVYCE-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccccc1NC[C@@H](C)C(C)(C)C	310216547	IPDOCKKADQTNJA-CYBMUJFWSA-N	233.399	4.733	0	10	BJAE	
CCCCCC[C@H]1C[C@H](C)c2ccccc2N1	310317165	VMPUOZXEWNCEDO-KBPBESRZSA-N	231.383	4.945	0	10	BJAE	
CCC[C@H](C)C[C@](O)(CCC)C1CCCC1	313409180	MPOVUSPYDBKVDG-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)Oc1cc(C(C)C)ccc1C	319590282	KGFOALUHHOVTOI-JSGCOSHPSA-N	234.383	4.932	0	10	BJAE	
CC[C@H](C)[C@H](C)n1ccc2c(C)cccc21	319722062	VODXATAGIOSEEU-AAEUAGOBSA-N	215.340	4.557	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cc(C)cc(Cl)c1	320230716	VDZSHOONBNRTFL-WDEREUQCSA-N	238.758	4.513	0	10	BJAE	
CCC[C@H](N[C@H]1CCCCC[C@@H]1C)C1CCC1	322448516	HJYSSVHVBYACIN-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](N[C@@H](CC)C1CCCC1)C1CCC1	325074338	WZCMPSDNVLVIFD-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@H]1CCCC(C)(C)C	384533177	VGBUXBOKWJMAJW-ZFWWWQNUSA-N	245.410	4.876	0	10	BJAE	
CCN[C@H](C[C@@H](C)c1ccccc1)CC(C)(C)C	384884668	KMPPXMIAWGQKIS-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H]1CCCC[C@@H]1C	385061316	UUQRAAWFBJRNFU-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H]1C[C@H]1CC(C)C	387958225	CVIHEPNBBNDHKW-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCCCCC(CCCCC)N[C@H](C)C(F)F	389907003	BMAVAJXMRVJFSU-GFCCVEGCSA-N	249.389	4.759	0	10	BJAE	
O=Cc1ccc(C2=CCCCCC2)cc1Cl	390046299	CDDLAARRCXSRCZ-UHFFFAOYSA-N	234.726	4.500	0	10	BJAE	
CCc1cc(C(F)F)c(F)c2ccsc12	396208323	GAQLJJLZWDHQRG-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CSc1sc2cccc(F)c2c1C(F)F	396235340	HIHGDIFWFCZFQV-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC[C@H](N[C@@H](C)CCC(C)(C)C)[C@H]1CC1(C)C	397610006	OZTAXWVMTVIPCI-MJBXVCDLSA-N	239.447	4.616	0	10	BJAE	
CC[C@@](O)(CCC1CCCCC1)[C@H]1CC1(C)C	397694175	PIHQUHMNVAYWJT-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@@H]2CC=CCC2)CCCC1	402335360	IOSVUWSKMLRVJD-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
CCCCCC[C@H](C[C@H](C)CC(F)F)NCC	688800618	RYOAMYCYWLQQHB-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)CC1CCCC1	689763447	LIRGZSGRLZZAEY-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCc1cc(C(C)C)ccc1OC(C)(C)C	694950474	JUBDWCCOHNOAEZ-UHFFFAOYSA-N	220.356	4.550	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CCC(C)(C)CC)C1	696801316	FLQSEZCQYHQIGE-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCCOc1cc(Cl)ccc1Cl	697783978	JDZVHZMUWKNPEK-UHFFFAOYSA-N	245.149	4.729	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1C[C@H]1C(C)(C)C	699765162	BAQZEQGSDDIINN-HUUCEWRRSA-N	244.378	4.675	0	10	BJAE	
Cc1ccc(COc2cccc(Cl)c2C)cc1	702649153	SIPRKDKTZFGGLK-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
NC1(CCC2CCCC2)CCC(C2CCC2)CC1	704464609	IJQBZPCSWAUCDW-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H](Nc1cccc2ccccc12)C1CC1	705395995	RTFOJRHMJGDWBX-QGZVFWFLSA-N	239.362	4.686	0	10	BJAE	
CCC1(C[C@H](NC)[C@H](C)CC(C)(C)C)CCC1	708297670	SEIRBJGDKVJNHA-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H]1C[C@H](C)CC(C)(C)C1	708768035	QFRIAOYEVKRWSA-MJBXVCDLSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@@H](C)CC(C)(C)C)C1	709259507	IQANODCBLSKUQH-RFQIPJPRSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)CCN[C@H]1CCC[C@H](C(C)C)CC1	710143327	NKCFDIPEMDEFSE-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cs1	710727720	GQOMQZJOKVNLBX-MELADBBJSA-N	249.423	4.827	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)C(C)(C)C)CC(C)C	710767390	PZNZXHAILFQJQB-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H](C)C(C)(C)C	711126746	KUVWLZBATNEMSF-ZFWWWQNUSA-N	227.436	4.604	0	10	BJAE	
C=C/C=C\CC[C@H](NC)[C@]1(C)CC[C@@H](C)C1(C)C	713728096	LJQAVSLIKIZMEB-ARORGSICSA-N	249.442	4.559	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C(C)(C)CC	718538827	KPHBSYAVGZPWES-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)c1ccccc1C	720351781	WLWFASSZKPFPMH-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CC)C(C)(CC)CC	723107383	YTXGMAHAEMLNAE-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)[C@H](C)CCC	723569506	XVJFYPACCNEPEY-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	723639078	IISXCMWRRCXBNI-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
Fc1ccnc(-c2ccccc2-c2ccccc2)c1	1239504416	DYJWBRNSBYUCKG-UHFFFAOYSA-N	249.288	4.555	0	10	BJAE	
CC(C)[C@H](C)S[C@H](C)c1cccs1	1307306800	DAYRHAGYECQVSB-VHSXEESVSA-N	214.399	4.587	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCC[C@H](C)CC1	1308774686	SLJCGRFPFATKOX-HRCADAONSA-N	237.431	4.680	0	10	BJAE	
C1CCC(CSCC[C@@H]2C[C@H]2C2CC2)CC1	1472980398	BGNVTZOKLSWEAN-CABCVRRESA-N	238.440	4.736	0	10	BJAE	
C1CCC(CSCC23CCC(CC2)C3)CC1	1643664271	CJPDUIKCUCGGEK-UHFFFAOYSA-N	238.440	4.880	0	10	BJAE	
CCC(CC)c1cc(Cl)ccc1Cl	1889470739	YUMAUYOWDXUOME-UHFFFAOYSA-N	217.139	4.897	0	10	BJAE	
Cc1sccc1-c1nc(CC2CCC2)cs1	1901907797	KSNPVQHSEZANGW-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
CCC(F)(F)C[C@H]1CCCCCCCC[C@H]1O	1913383410	ASWUWTHWEDTJCK-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC(F)(F)CC[C@@H]1CCCCCCCCC1=O	1913385810	DYYRWUDYBCAIAB-LBPRGKRZSA-N	246.341	4.742	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2CCC[C@@H]2C)C=CCCC1	1916567598	CGNIQXGMDVCQAQ-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H](C)c1ccccc1	1919493127	OEMFTNOEUDWDQL-GOEBONIOSA-N	234.383	4.512	0	10	BJAE	
CCCC[C@@](O)(CC)c1ccc2sccc2c1	1919512338	YLPVYMXOQARRGY-HNNXBMFYSA-N	248.391	4.689	0	10	BJAE	
CCCc1cccc([C@@](N)(CC)C[C@H](C)CC)c1	1920208529	UUKJFUBZPHLBKT-RHSMWYFYSA-N	247.426	4.639	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)CC2CC(C)C2)cc1	1926998712	FSCWBZVTHFLZCD-VSUJBEPISA-N	245.410	4.636	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1Nc1ccsc1Cl	1932482795	RCBKKQGAWSGVGK-UWVGGRQHSA-N	243.803	4.638	0	10	BJAE	
CCCC[C@H](CCCC(C)(C)CC)NCC	1939118467	QHHRRLDJUBFXER-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCc1cnc([C@@H]2CCCC(C)(C)CC2)s1	1939904115	TYWNONBUYJXPMW-LLVKDONJSA-N	237.412	4.779	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccccc1C1CC1	1941553745	SCVYRILTZKQZII-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@H]1C)[C@@H](C)CCC	1944844834	CKIDPAIDANNHTE-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](F)[C@H](CN)CC(C)C	1945814441	KSXNIKZFTVTNHQ-SOUVJXGZSA-N	245.426	4.552	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC(C)(C)C(C)(C)C	1947465210	UOKBYCGDUGJJMD-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H]1C=CCCC1)NC	1947590327	VZWPGTDVRUZNOB-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CC(CO)(CCC2CCCCC2)C1	1948412090	WVRZSZDMCFXAKW-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CCCC1CCC1	1949008069	SLCKRULBCCTMIR-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCCCC12CCCC2	1949087617	CVEZWCNVWCHKRY-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](CCCC(C)=C(C)C)C(C)(C)C	1949832891	GPGHKTDHNHLUPY-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CCC(CC)C[C@@H](N)[C@H]1CCCC(C)(C)CC1	1950921394	FJYVGNQQPJTJSR-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
C1CCCC(NC[C@H]2CCCCC23CCC3)CC1	1966064518	HQWHLCYMPLTTMA-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCc1ccc(N[C@@H](C)CCC2CC2)cc1C	1972021298	LLALTBYLTZXJQT-ZDUSSCGKSA-N	231.383	4.548	0	10	BJAE	
CC(C)C[C@H](C)CNc1ccccc1C1(C)CC1	1973419852	JBTODRKUDOUPLY-AWEZNQCLSA-N	245.410	4.832	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCCC(C)C	1978425102	PKQCUOXINFOGPR-AWEZNQCLSA-N	226.404	4.988	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CC=CCC1	1978456774	ZZAXXBQFTNUVPC-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
C[C@H](CCC(=O)c1cccs1)CC(C)(C)C	1980691659	FHIMPLQIMDWZJD-LLVKDONJSA-N	238.396	4.783	0	10	BJAE	
C/C=C/CCC[C@@](C)(CCC)CNCCC	1984635212	NONUBFROPYFSDD-SBJJXXPASA-N	225.420	4.539	0	10	BJAE	
CCC[C@](O)(CC)CCC(C(C)C)C(C)C	1988261073	AMUMKIPHZUBFGT-OAHLLOKOSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](CNc1cc(Cl)ccc1F)C(C)C	1988766167	ZTBGIYHNINHLGJ-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CCCCCC[C@@H](N)CC1(C(C)C)CCC1	1989462971	KSWQVXFYIXDYIW-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC[C@](O)(CC)CC1CCC(CC)CC1	1989778287	PEMYMOSPJSYSKP-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)NCCCCCC1CC1	1990040835	JWQQVJUPOQBASM-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@H](C)C(C)C	1995262754	PGUGPKFYELLGMF-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
C[C@H]1CC[C@H](CNc2ccc3sccc3c2)C1	1996223194	QCMNTCDZIWXYEU-RYUDHWBXSA-N	245.391	4.749	0	10	BJAE	
CCC1CC(Nc2ccccc2SC2CC2)C1	1996559889	YPZDJEZGLQNJDO-UHFFFAOYSA-N	247.407	4.542	0	10	BJAE	
CC[C@@](N)(CC1CC(C)(C)C1)C1CCCCC1	1996589235	MNEAMTYBLFUSRQ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCc1cccc(C)c1NCc1cc(C)cs1	1996648962	ISSMWPYSFSCENV-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CC[C@H](NC[C@@]1(C)CC=CCC1)c1cccs1	1997581176	KKHWFSFJOLDGMW-ZFWWWQNUSA-N	249.423	4.535	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC1CC(C(C)(C)C)C1	1998256928	AYFIVZIIGRUOSS-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CCSc1cccc(N[C@H](C)C2CC(C)C2)c1	1998652036	STWUFFITXPKRIR-OTTFEQOBSA-N	249.423	4.645	0	10	BJAE	
O=C1CCCCC[C@@H]1C[C@H]1CCC=CCCC1	1999984303	WVXSLBQUFFNGGB-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)CC(F)(F)CC	2000483070	JJCLKDFUXREMIQ-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCCCCC1CCC([C@H](N)C=C(C)C)CC1	2003067123	NKRFVILYSQVWAN-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(CO)CCCCC1(C)C	2005586407	NOVZUUAESGJDQN-GDBMZVCRSA-N	240.431	4.638	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C1(C)CCC2(CC2)CC1	2007691558	MUZKNPLQSKMFEZ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C1(C2CC2)CCCC1	2008470495	KMRCJBFKZPODTB-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC)CC(O)(CC2(C)CCCCC2)C1	2009295861	ATMVYVJECKJHFM-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@@H]1CC=C(C[C@@H](N)c2cccs2)CC1	2010747485	KIUUEVGHHJIEIU-ZIAGYGMSSA-N	249.423	4.521	0	10	BJAE	
CC[C@](N)(CCC[C@@H]1CC1(C)C)CCC(C)C	2013297056	PYSBNXLIIPRJPA-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)C1(C)CCCC1	2014340899	UGZMVDWSJGILDE-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCCCCC1(O)CC(C(C)(C)C)C1	2014651731	FFHNKEBIQKQUNI-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H](C)[C@@H]1CCC1(C)C	2014905119	VCLLCCHGOFYFAQ-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CC(C(C)C)C(C)C	2015283708	GZFGMNHTQFEAIM-ZBFHGGJFSA-N	241.463	4.704	0	10	BJAE	
CCCC1(C[C@@]2(CN)CCCC2(C)C)CCC1	2015643701	FOUZWNBZEJAQFW-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC(C)CC1(C(=O)CC(C(C)C)C(C)C)CC1	2015747615	QVHONMCGJCCIPH-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C1(CC(C)C)CC1	2015752917	LEHXCFIEQZWVMU-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(N)CCC=C(C)C	2016115089	OHEJYPRWROVNNT-OWCLPIDISA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](CCC1(C(C)(C)C)CCC1)NC	2017146841	WUWXYTOTDJKOOY-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CN[C@@]1(C)CCCC(C)(C)C1)C(C)(C)C	2017622941	MJAAGPVKRVNIQH-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@H](CC)[C@H](C)NC)CC1	2017731166	OMBQUJMAQQJRDX-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H]2C[C@@H](C(C)C)CCC2=O)CC1	2018926049	XPLMYABFKUDPBM-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1(CCF)CC1	2018940395	WIOQSLSXEUHAAD-ZDUSSCGKSA-N	242.378	4.548	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H](C)CC(C)(C)C	2020972674	WYWSASUBMYYGRR-UKRRQHHQSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@H]1CCC)C(C)(C)CC	2022486413	WZJRMHQGVSSWEP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)CCCCC(C)(F)F)C(C)(C)C	2023344583	UMVVOBWYDNPSQO-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
CC[C@@H]1CC[C@](O)(C[C@H]2CCCC(C)(C)C2)C1	2024128073	JTJMEARBDHLMER-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C1CCC(C)CC1	2026083015	WXIRWXMMNOQSGI-NFOMZHRRSA-N	238.415	4.988	0	10	BJAE	
c1sc([C@H]2CCCC3(CC3)C2)nc1C1CCC1	2026544108	IPLAAVORFKQIDE-LBPRGKRZSA-N	247.407	4.848	0	10	BJAE	
Cc1ccc([C@H](N)CCC[C@@H]2CC2(C)C)c(C)c1	2027832455	LLEQODZNCMMXKT-GDBMZVCRSA-N	245.410	4.520	0	10	BJAE	
CCc1ccc(C(=O)[C@@H](CC)C(C)C)cc1CC	2028252191	MJKFCKCJKWDQBF-INIZCTEOSA-N	246.394	4.676	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CC1CCC=CCC1	2028908973	WVHRGUHIKNYOSW-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CCC[C@@H]2C)c(C)c1	2032479079	BMRRUOBDHNIKHH-SWLSCSKDSA-N	244.378	4.621	0	10	BJAE	
CC1(CC(=O)C2C[C@@H]3[C@@H](C2)C3(C)C)CCCCC1	2032585866	DGWQUCDRVKDUPH-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)c1ccccc1C(C)C	2035501224	WERVNKHHHWEXMJ-RHSMWYFYSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)C[C@H](C)C1CC1	2035594631	UUMJHHFQJFMHID-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(NCC2C[C@@H]3C[C@H]3C2)CCCC1	2035892214	OYWCVBOGZDXUIK-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCC1CCC1)c1ccccc1C1CC1	2037139396	CLSCLFLMFRZQSH-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@@H]2CCC[C@@H]2C)cc1	2037189135	OKZKTMIIJRLTEM-JQFCIGGWSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1	2037676207	SZEHRKYVLMPGER-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](N[C@H]1C=CCCCC1)c1ccc(C)cc1	2039032665	OXXXMHUCFGMWQZ-DLBZAZTESA-N	243.394	4.535	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@H]2CC23CCCCC3)C1	2039079009	NESKMFHMUCVSGB-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CCC1CCCCC1	2039436494	PXRQNSQTWJMYQO-BHYGNILZSA-N	249.442	4.667	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)CCCC2(CCC2)C1	2041300702	QYGSRMFCQKZEIK-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CNC[C@@H]2C=CCCCC2)CC1	2041542862	ZMJGGSDWQOVXSO-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
c1cc(NC2[C@H]3CCC[C@H]2CC3)cc(C2CC2)c1	2042049454	GORNSXZHAAQJEO-KBPBESRZSA-N	241.378	4.555	0	10	BJAE	
CC1(CNc2ccc3ccccc3c2)CC=CC1	2042084032	XIAHVTJYQKOROO-UHFFFAOYSA-N	237.346	4.608	0	10	BJAE	
CCCC1CC(CNC[C@@H]2CCC=CCCC2)C1	2045319125	ANMOXCKRRQYTHB-KLAILNCOSA-N	249.442	4.539	0	10	BJAE	
CCC1(CNC[C@H]2CCC=CCCC2)CCCC1	2045332037	LAYLBYAALRFRRO-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H]2CCCC(C)(C)C2)c1	2045460738	RZPYKVMKDDKZGJ-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1ccc([C@@H]2C[C@H]2C)o1	2045562780	YWWUXJHIAULWHL-YNEHKIRRSA-N	248.366	4.658	0	10	BJAE	
C[C@H]1CC[C@H](CNC2CC3(CCCCCC3)C2)C1	2046230461	SCINUYQVLXHWIS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCCC2(CC2)C1)C1CCCC1	2049863561	YLUKKNJYKSBANZ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](CC1=CCCCCCC1)c1cccc(F)c1	2050445521	SUPOTHAADNDMIC-INIZCTEOSA-N	248.341	4.530	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC12CC2)C1(C)CCCCC1	2053324625	FIYGTAMHGYKEHW-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
C/C=C/C[C@]1(CNCC(C)C)CCCCC12CC2	2057064606	FBODMTPMWWNATM-LAQIPUCWSA-N	249.442	4.539	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1cc2cc(C)ccc2o1	2059220900	GJGDIVMLDIPLTM-RDFMZFSFSA-N	244.334	4.521	0	10	BJAE	
CCc1cc(C(F)(F)F)c(C(F)F)cc1C	2060347545	HADPCFVFZSPAPR-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)C1(C)CC(C)C1	2060920432	DVHUCMLUJNDDPO-DKVOJFQGSA-N	249.442	4.537	0	10	BJAE	
CC[C@]1(C2=CC[C@H](C(C)C)CC2)CCCCCN1	2061089986	XLHJREKKDNUFSX-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CC(C)C1)C1=CC[C@H](CC)CC1	2061141455	VMZWAGLZOVHODS-KXJMLMMSSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C(C[C@H](N)c2cccc(C)c2)CC1	2061142283	BOHNGAVDWCVNRZ-YOEHRIQHSA-N	243.394	4.521	0	10	BJAE	
CCCC1([C@H](NC)C2=CC[C@H](CC)CC2)CCC1	2061152022	XHQNRCXKKPGKMJ-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CC(C)NC[C@H](C)[C@@H](C)CC1CC(=C2CCC2)C1	2061670001	ZYTCNCXZLDOJCL-KBPBESRZSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)c1nc2c([nH]1)[C@H](C)C[C@@H](C)C2	2061879308	RHLAJDHKXGBHAU-VXGBXAGGSA-N	248.414	4.563	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCCCC23CC3)[C@@H]1C	2062019242	VHJAAOCCIHWHPH-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCC1CCC([C@]2(N)CCCCCC23CC3)CC1	2062020633	OPYSDQZTKFEOBU-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C12CCC(CC1)C2(C)C	2062625456	PKZHALQQQSDHRI-WIJYIZELSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2C[C@H]3CCC[C@@H]3C2)C1	2063501592	POACAMHCLQSTLU-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063534961	DRBXAFUAJXDFAE-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)CC12CCC(CC1)CC2	2065285141	BQJAPISILSMKPX-DGNOSDGRSA-N	248.410	4.598	0	10	BJAE	
CNCC1(CC23CCC(CC2)CC3)CCCCC1	2065328993	UBNVFJUTPVOBDP-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](C[C@H]2CCCC3(CC3)C2)N1	2066376152	REKUZHHNRNMAQK-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc([C@@H]2CCC[C@H](C(C)C)N2)cc1	2066379539	YYKZVEXZZSKEDX-SJORKVTESA-N	245.410	4.649	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068699238	PQNJLIRAJIRREF-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C[C@@H]2CC23CCC3)CC1	2069188438	CRHWLEAUUORTBQ-ZBFHGGJFSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)C2CC(=C3CCC3)C2)CCC1	2069282530	LMYIVKLLOCLHNM-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CCCC1(C[C@@H]2CNC3(CCCCC3)C2)CCC1	2069342475	PCRGWGLFMSYVGS-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2CCCC23CC3)CCC1	2071913397	QVVFOLFARAPOFH-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1(CCN2CCC[C@@H]2C2CCCCCC2)CC1	2071970006	YEDPQLAIUNPCEO-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC1CC2(C1)CC21CC1	2072237773	ZVEPROVPZLJSRX-LYSZQXJVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)c2ccccc2)CC1	2072665707	UGCCSCDFNGMWOT-BFYDXBDKSA-N	246.394	4.717	0	10	BJAE	
CCN[C@H](C[C@]12CCCC[C@@H]1C2)C1(C)CCCC1	2074025534	OYZSMVPBXGDJSR-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](O)[C@H](CC)c2ccccc2)CC1	2074614715	SBUUMNGKRUXSMU-HZPDHXFCSA-N	246.394	4.512	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CC[C@]12CCC(C)(C)C2	2074900701	SGBFWBDWVHYOQE-INMHGKMJSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H]1CCCN([C@@H]2CCC23CCCCC3)C1	2075017289	TVLCNQXZNMSVDV-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2CCC=CCCC2)C1=O	2076449524	GVLUQHGOXRHKPB-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
CC=C(CC)[C@H](CC1CC2(CCC2)C1)NCCC	2077186522	CCPYLQUSTYZESX-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1Nc1ccccc1C1CC1	2077261610	AWAMRXICWKHYML-CHWSQXEVSA-N	243.394	4.801	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C[C@H]1C1CCC1)C1CCCCC1	2079326380	ZSGSDNVRLMZMKG-KCXAZCMYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1COc1cc(C(C)C)ccc1C	2079811267	PARPUPZBJKVYIY-CVEARBPZSA-N	246.394	4.933	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@@H]1C1CCCCC1)C1CCC1	2079838530	JZDLGAHQPJJFJP-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C=C[C@@]2(C)CNC(C)(C)C2)C1	2082987420	QSWAOKBEWATITK-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CC(C)(C)C1(C)C	2084340534	BEUXJLQVNJACRT-CQSZACIVSA-N	249.373	4.625	0	10	BJAE	
CC[C@@H]1CC[C@@H](N(C)C[C@@H]2CCC=CCCC2)C1	2085278606	BFCAABTZEIHGGH-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CCC(=O)[C@H](C)CCCCCCCC1CC1	2212461978	LASCVBVPLQHPNF-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C[C@@H](CC)C(C)(C)C	2215345298	IOEWPNYSMABIGU-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
Cc1cccc(C)c1CC=Cc1ccccc1	2215999572	RZFKJKHAGWGLDT-UHFFFAOYSA-N	222.331	4.559	0	10	BJAE	
CC(C)=CCCN[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216252459	KFNLNBOJMOTLTG-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CCC[C@H]2C[C@@H]21	2217277469	PPWVNEWNVCORDV-CORIIIEPSA-N	249.785	4.503	0	10	BJAE	
CC(C)=CC[C@H]1CCCN(C2CCC(C)CC2)C1	2218155054	FCBTYNHPMQODDA-AQFXKWCLSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(CC2C[C@H]3CCC[C@H](C2)C3)C1	2218356016	IOVTTWQJSXMVJP-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC1(NC[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCCC1	2218361639	PFKRQLDTDKSFKO-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CN(CCCCC1CC1)[C@@H]1CCC2(CCCC2)C1	2218673790	XHAZHRNIVVQNDN-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC(=CCCCCCC1CC1)[C@H]1CC[C@@H](N)CC1	2218721531	SFAMQKZXTPUSJM-CALCHBBNSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C1(C2CC2)CCCC1	2220043694	DNFRZDJLSOJTCQ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](NCCCCCCCC2CC2)CCC1	2223153915	FXBXCVOHYGXZIN-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCCCC[C@]1(CNC2CCC2)CC=CCC1	2223542048	NTWUEWXNAZNEPJ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1CCC(CNC2CCC2)(C2CCCC2)CC1	2223576608	KNVKAWSKBOZOLF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CC2)CCCCC12CCC2	2223588444	HLTMFKBNMBIOSM-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNc1cccc(Cl)c1	2243031137	QHTOKXPSXLJEAP-NWDGAFQWSA-N	237.774	4.578	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1=CCCCC1	2243234218	IYUGLGLZUSQRLV-OAHLLOKOSA-N	223.404	4.565	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC1(C)CC(C)C1	2246445441	VFDMYISNUXBADY-CIDNJEQPSA-N	240.431	4.780	0	10	BJAE	
CNc1cccc(-c2cc3ccccc3s2)c1	2246913115	IDKWBSYJPLVVRA-UHFFFAOYSA-N	239.343	4.610	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CC[C@@H]1CCCC12CC2	2247666714	UJLHCENZUFXBNW-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)[C@H]1CC12CCC2	2248275752	OMGYZJPVIQRFJM-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H]1CCC1(C)C)NCC	2250355963	CVZPUIRMFQFLGG-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC[C@H](C)CCCC(C)C)C1CCC1	2250470316	YTRJYPRBIZXOOJ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@@H](N)C[C@@H]2CCCCC23CC3)CC1	2253815442	LIPQNYVWOXBLLU-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CC[C@@H]1CCCCC12CC2	2253849793	DEFFVAAFOAWCKD-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC(C)(CC[C@H]1CCCCC12CC2)CNC1CC1	2253853013	KZERQNQLUZYPFI-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@@H](C)CC(C)C)CC2	2253862003	GXYMBANYONVKPQ-BBRMVZONSA-N	245.410	4.794	0	10	BJAE	
CNCC1(CC[C@@H]2CCCCC23CC3)CCCC1	2253864779	NVZPSPGPXRKFQP-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CCCCC[C@H]1C[C@H]1C)c1ccco1	2254526653	BGUYWBWLPJDIBI-QLFBSQMISA-N	249.398	4.537	0	10	BJAE	
C[C@H]1C[C@H]1CCCCn1ccc2c(F)cccc21	2254534048	ASUCSJGAIPIZDS-QWHCGFSZSA-N	245.341	4.607	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@@H]1CCCC2(CC2)C1	2254583372	JTWYKFMILSFVHP-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCN1CCCC12CCCCC2	2254588876	AYHUYNVYPDTSGZ-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)CC2=CCCCC2)C1	2255096145	JAFAZLDVVDZFRD-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC2=CCCCC2)CC[C@H]1C	2255136798	KJIDHKUBPCYKFP-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)NC[C@H]1CCC[C@H]1CC1=CCCCC1	2255140042	JURKFBGPMQUPAT-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C(C1CC1)C1CC1	2257256459	MJAWBOHDXLMNDA-IUODEOHRSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)Cc1ccccc1C(C)C	2259436586	NUAHKCQTMHWAAX-PBHICJAKSA-N	248.410	4.540	0	10	BJAE	
Cc1ccc(OC[C@]23CCCC[C@@H]2CC3)cc1C	2260646582	MLTZFIYGARVENJ-NVXWUHKLSA-N	244.378	4.653	0	10	BJAE	
C[C@@](N)(C[C@@]12CCCC[C@H]1CC2)C1CCCCC1	2260668026	DURSRXRYGXSVOY-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CC1CC(CCC(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2261503177	HIEIXQZVVMLHSN-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CCC1)C(C)(C)CC	2298852200	QQLGUDVVENUVGP-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CC1)C(=O)c1csc2ccccc12	2298938841	JIZYVWGVMWIZFV-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@@H]1CCC[C@@H]1C	2300683814	NNNLZVVMBKNOBW-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H]1CCC(C)(C)C[C@H]1CN	2300701452	RLDNZZDFGQMFME-GJZGRUSLSA-N	239.447	4.604	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC(C)C)CC[C@@H](C)C1	2300860026	BUHYBWIMBJKDGL-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301057515	KAXWJRIMPXLXQM-SOUVJXGZSA-N	234.383	4.518	0	10	BJAE	
Cc1cc(SCC2CCCCCC2)ccc1N	2301141753	CBVXFMAGICJUJD-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CN[C@H]1CCCCC[C@@H]1CC1CCCCCC1	2301244987	RAAAADHYLKZHKZ-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@@H](C)[C@H](C)C(C)C)CC1	2301834987	BXNHHOUULSDSRK-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C1CCCCCC1	2303442783	NODMKWRLFRBOMW-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@H]1CC[C@H]1C(C)(C)C	2303471427	LWUFADKSDLSMQG-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)c1ccsc1	2303575216	IDMAGMIHPWGXEM-DZGCQCFKSA-N	249.423	4.535	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)c2cscc2C)CC1	2303577201	GULGVXSVUNFQPP-CYBMUJFWSA-N	248.391	4.766	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@H]1CCC(C)=C(C)C1	2303579634	PAZYMZCGJPELSB-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC(C)=C(C)C2)CCC1	2303581048	ZLXANRFNVYGPSE-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCC[C@H](CC)C(=O)CC[C@@H]1CCC(C)(C)C1	2304419648	CWFGTOMADDQSBC-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@H](C[C@H]1C[C@@H]1CC)NCC	2307820261	WIOCCCVGQLSZCT-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCCC[C@@H]1CC	2307847548	XLNGAORMIHQJMI-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1C[C@]1(C)C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2311609987	XMCULIDBSHLTAC-QEWYBTABSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1CC)[C@@H]1CC=CCC1	2312456557	ACTFXPNALMFOOJ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313187154	RYLVUFWWOUXZFY-QMHWVQJVSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2313633150	QEKOXJGPMZNVDN-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CC(=CCNC1C[C@@H]2CC[C@H]2C1)CCCC(C)C	2316500250	XVTNDIKDIQCACV-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@H](NCC)c1ccc(C2CCC2)cc1	2316509288	HJAFSTKJROFHMD-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC(=CC=C1CCC(C)(C)NC1)CCCC(C)C	2316565679	QRQARFCKPMCXLH-UHFFFAOYSA-N	249.442	4.847	0	10	BJAE	
CC(=CC[C@@]1(N)C[C@@H]2CC[C@@H]2C1)CCCC(C)C	2316569135	VBKIGLSTHXHOGW-FVQHAEBGSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H](C)[C@@H](C)C(C)C)c(C)c1	2317833982	GXLFAEYRJNZENQ-LSDHHAIUSA-N	246.394	4.723	0	10	BJAE	
C[C@@](N)(CCCC1=CCCCC1)C1CC2(CC2)C1	2318543935	UBMVCBYYVMBEBZ-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)[C@@H](C)C1CCC1	2318587797	VWQZRPAWIUJXFK-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCc1cc([C@H](N)CCCCC2CC2)ccc1C	2318873261	GOSJAOQJRWJOPV-QGZVFWFLSA-N	245.410	4.528	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@@H]1C[C@H]1C1CCCC1	2318879631	RAWORYJOLIMYQZ-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@]23CCCC[C@@H]2CC3)C1	2319128191	HPGLTIOXRYFMOY-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
CCCCCCC(=O)c1cc(F)ccc1C1CC1	2319173106	FGYAISAALOASPC-UHFFFAOYSA-N	248.341	4.856	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)CC[C@@]12CCC[C@H]1C2	2320151643	PDYSCASDKWJAJP-SZOQZIPDSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CC[C@@H]2CC(C)C)CC1	2320233608	YAVJTQPIPZKSLN-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(C[C@H]2CCC(C)=C(C)C2)C1	2320327412	APYOJWNICWVYEK-IKGGRYGDSA-N	249.442	4.668	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)C1(C(C)C)CC1	2320388595	RJNOQLBPYIRJRI-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(CC(=O)[C@H](C)C(C)(C)C)c1	2320623808	PQCHUAPDSUFBBI-ZDUSSCGKSA-N	246.394	4.604	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)C2(C)CCCC2)c1	2327680097	CCURIUOMWJKLFI-INIZCTEOSA-N	245.410	4.699	0	10	BJAE	
c1ccc(Cc2ccccc2-c2ccccc2)cc1	1759891	ZOYJYNLKJSQUEM-UHFFFAOYSA-N	244.337	4.944	0	10	BJAE	
Cc1ccc([C@H](C)NC2CCCCCCC2)cc1	21505323	LTXDBRBTNJVUAY-HNNXBMFYSA-N	245.410	4.759	0	10	BJAE	
CC[C@@H](Nc1ccccc1Cl)c1ccccc1	21509726	KCWVLDKTBGGPDN-CQSZACIVSA-N	245.753	4.903	0	10	BJAE	
CCSc1ccccc1N[C@H](CC)C(C)C	71104735	KNDHMQAUQMIDFW-GFCCVEGCSA-N	237.412	4.645	0	10	BJAE	
CCC[C@@H](CCCCCc1ccccc1)NCC	80410735	ILDCYYDKNDNOET-KRWDZBQOSA-N	247.426	4.568	0	10	BJAE	
CCCCCCN[C@@H]1CCC[C@H](C(C)C)CC1	86923288	BWOQWTHDQMSUDM-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@]1(N)CCCC[C@H]1C1CCCCC1	103944486	OQLPLARWBWFJTA-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CCC(C)C)C1=CCCCCC1	104007837	VWNUQPRGRODXAC-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@H](O)CC1CCCCCC1	124288115	LHQOAUVTYGALQH-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
Cc1ccccc1Sc1cc(Cl)ncc1C	133749478	QMDGHMQQTVAEGN-UHFFFAOYSA-N	249.766	4.503	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1cc(C)cc(F)c1	162540775	GVQXYFGDKYKRLA-DOMZBBRYSA-N	248.341	4.533	0	10	BJAE	
O=C1CCCC[C@@H](c2cccc3ccsc23)C1	163419820	LRRUSXQLTYYIDX-GFCCVEGCSA-N	244.359	4.518	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@H](C)C1CC1	163499428	HPNMNBUDTJGMJH-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CC(C)CCC[C@]1(O)CCCC[C@H]1C(C)(C)C	165574392	DGJNSNYCCKSAIZ-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C(=O)CC2CCCCCC2)cs1	168462884	JVPCGROWCUXACT-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCN[C@H](CCCC(C)C)c1cccc(C)c1C	229170954	LYDMPDLLYXUIQA-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@@H](C)CCC	232988261	YHFQBXWGHVUKQW-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CCC[C@H](C)C1	251917931	YGWBHYQZLHUSJE-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)C[C@H](C)C(C)(C)C	252901114	KJYGTNUMMBZLKZ-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@H]1CCC[C@@H](CC)C1	253050464	UHYQKGLHGJIJAA-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)CNc1cccc(Cl)c1F	300998590	WSMZAKJCYRWQCR-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
Clc1cccc(N[C@H]2/C=C/CCCCC2)c1	301029600	UFDQWEQLGQWPDW-GBVBUYCNSA-N	235.758	4.641	0	10	BJAE	
c1cc2cc(OCCC3CCCCC3)ccc2[nH]1	302281180	UPIBSNRSFVWEMC-UHFFFAOYSA-N	243.350	4.517	0	10	BJAE	
c1ccc2c(c1)C[C@H](CCC1CCCCC1)CN2	302286320	WCNAVZHVLVEAFA-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)CC1=CCCCC1	305919540	LMYIJPOLHUHOGH-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)c1ccc(C)c(C)c1	308003623	SXNFDLPMJRCZMC-NVXWUHKLSA-N	248.410	4.799	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)CC1CCC(C)CC1	308019666	IUCMAGHZUAGPPU-SSHXOBKSSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H]1CCC[C@@H](C)C1	310128373	JYOCDKHPFVJNMM-PMPSAXMXSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC(C)C)C1(C)CCCC1	310251518	OCHLDUXCICMKGU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(N)(c2ccccc2C(C)C)CC1	310902273	CKYWEURHUUKNME-UHFFFAOYSA-N	245.410	4.564	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCCC12CCCCC2	313042771	LUVGBCIJPXHMAU-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@H](N)c1cc(C)ccc1Cl	313406491	VCXSKFAWPTWVER-AWEZNQCLSA-N	239.790	4.619	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1	315163983	LXYKCTYPHKBGKX-UGUYLWEFSA-N	243.394	4.540	0	10	BJAE	
CCNCC1(CC2CCC2)CCCCCCC1	317448348	YVOPPLWAHWHBMT-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC2CC2)(C2CCCCC2)C1	319120799	AQARKDDSESLVCG-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](C[C@@H](C)CC(C)(C)C)NC	319605663	XUYPMAKRKACELA-QPSCCSFWSA-N	241.463	4.719	0	10	BJAE	
CC1(CC(=O)C(C2CCC2)C2CCC2)CCCC1	381424214	CRJCXMBBZPITLZ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@H]2CC3CCC2CC3)c1	382157257	OVVICUQZGBHSPE-VXTDNTOSSA-N	243.394	4.622	0	10	BJAE	
Cc1ccc(N[C@H](C)CC(C)(C)C)cc1C	384794069	RNKAXAVXVRHNGY-CYBMUJFWSA-N	219.372	4.540	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cscc1C	387075467	ZRNXFOYQXGXVIZ-CMPLNLGQSA-N	225.401	4.683	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)[C@H](C)CC(C)C)c1	390416399	MEDZUIZIROZVNL-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
CN[C@H](CCC1CCCC1)c1c(C)cccc1C	394124619	AOMUETRBEQHRDE-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@H](N[C@@H]1C[C@@H](C)[C@@H]1C)c1ccccc1	395075482	JPHQHQASQZWAAL-YQFWSFKMSA-N	245.410	4.552	0	10	BJAE	
CCCN[C@@H](C)/C(C)=C/C(CC)(CC)CC	395131527	RVQYLEMKTZZORA-FNDVETGQSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](NCCC1=CCCCC1)[C@@H]1CC1(C)C	397605891	BAXPBNBJRBDMBX-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H](C)C(C)(C)C)cc1	399018851	GBODTTSSFWBDFJ-ZDUSSCGKSA-N	246.394	4.894	0	10	BJAE	
CCN[C@H](c1cccc(C)c1C)[C@@H](C)C(C)(C)C	399171566	LNQGFPZDDBBCOZ-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H](CN)[C@H](CC2=CCCC2)C1	400673319	WCSBNQYNCWXHDB-BZUAXINKSA-N	249.442	4.524	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H]1C[C@@H]1CC(C)C	401017300	BXPBTVCUNGDEKI-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1CCC([C@H](N)C[C@H]2CC=CCC2)CC1	402126065	DFWYEIFQSPCIHU-ZGRYLRDCSA-N	249.442	4.523	0	10	BJAE	
CCCCC[C@@H]1CC=C(OC2CCC2)CC1	687764684	TWXNULCQDSFJFH-CYBMUJFWSA-N	222.372	4.820	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H](C)CC(F)F	688814919	ZBELKZIYAJHBKV-VXGBXAGGSA-N	248.357	4.699	0	10	BJAE	
C[C@@](O)(CC1CCCC1)C1=CCCCCCC1	689751375	CQYWLVRVWDXFKO-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CNc1cccc(C2CCC2)c1	690154198	XBXVTNCTOCSWSE-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCC12CCCC2	694472503	IYGKFWQJAVBQNL-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1)C(C)(CC)CC	701149217	CSQCYSWREFMDHS-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CC(C)(C)NC[C@@]1(C[C@H]2CC=CCC2)CC1(C)C	702202314	AGKKIIKRKJOQDU-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC[C@](C)(CCC=C(C)C)CNC(C)(C)C	704620940	BEBKHDXFYODFCW-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Oc1ccccc1C(C)(C)C	704924764	BKSYIGPCVUCYFH-HIFRSBDPSA-N	246.394	4.942	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCCCC[C@H]1C	704928355	KXRQNIRAOLOZGB-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C1CC(C)(C)C1	706081847	MGIMGODEOVPZQM-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@H](C)CC(C)(C)C	708250341	QWFQNLLYBMIJHT-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@@H](C)C(C)(C)C	710788866	SPAOTVCMVZGEJE-RBSFLKMASA-N	242.447	4.882	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1C[C@H]2CC[C@H](C2)C1	710927136	UVUKAQDPPLUESA-CLLJXQQHSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)C(C)(C)C)[C@@H](C)CC	711185469	SKRPENJDGROBQB-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CCCC[C@@H]32)CC1	712377215	KVLQHPWJJHRVKA-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@H]1C[C@H]1C1CC1	712920772	WPEJCCZEUWRYGS-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)c1cccc(C2CC2)c1	713169732	FIXUFILFLLQDJM-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCC[C@@H]1CNC(C)(C)C	713182059	FIAUFTHWACYOFC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)c1cc2ccccc2s1	713205838	FCIOXYSASXWMDS-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)C[C@@H](C)CC(C)(C)C	713218550	WMJJGIUMOCUWDU-ZIAGYGMSSA-N	241.463	4.848	0	10	BJAE	
CC(C)C(C)(C)CC1(N)CCCCCCC1	713235777	TZRNLZARYKLSDZ-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
O=C(CC[C@@H]1C[C@@H]1C1CC1)C1CCCCCCC1	714801939	DWACDXUTGKEXRZ-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)CCC1CC1	718571645	IYIYIUXCEMIKAD-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CCC12CCCCC2	718696978	WCFAMTWOHZZUGD-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCc1ccc2c(c1)C(C)(C)CO2	718714131	DDBFQRHKNLPQQH-UHFFFAOYSA-N	244.378	4.646	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCCCCC2(C)C)o1	719260894	OAKHAUQWEMQJKB-UKRRQHHQSA-N	249.398	4.598	0	10	BJAE	
CC1(C)CC(C(=O)C[C@H]2CC23CC3)CC(C)(C)C1	722848715	BZOOBEHTRHBPLH-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
c1cc(N[C@H]2CCCC3(CC3)C2)cc(C2CC2)c1	723563225	QTWAWWGXJPDZMZ-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
C[C@@H](N[C@H]1CCCC2(CC2)C1)C1CCCCCC1	723604657	YNYUFUOCWQGERW-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	723614909	MJSYQPWVEOLGFO-OAGGEKHMSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCCC[C@H]1Nc1ccc(C2CC2)cc1	821905253	COXRGLGIDBLHOY-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
Cc1ccc(O)c(-c2cccc3sccc23)c1	1244404227	NGISPYPMWLMDQD-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
C[C@H](CSCC1CCCC1)C(C)(C)C	1307408943	HGHTUEOEVVWMRQ-LLVKDONJSA-N	214.418	4.592	0	10	BJAE	
CC1(CNC2CCC3(CCCCC3)CC2)CCC1	1647035656	MATVNGKXRIULJE-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)CC[C@@H]1CCC[C@H]1NCCC(C)(C)C	1654178740	IFLKPECWCVZEMU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)Sc1ccc(NC(C)C)c(C)c1	1661731961	BTNBSMAKSYJCCV-LBPRGKRZSA-N	237.412	4.706	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H](C)[C@H](C)C(C)C	1901645338	XJUBVGMKUZDJII-KFWWJZLASA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](N)CCCC[C@H]1CCC(C)(C)C1	1903427858	JMERVTRWWABDOF-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H](C)C1CCCC1	1905443958	JWBAHZFSBCYJNJ-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CCCCC=Cc1ccccc1)NC	1911980878	YRCYSMWMYYHVPU-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
CN[C@H](CCC=C(C)C)C1CC2(CCCCC2)C1	1912638588	QZZMUGDRJSLYHY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
OC1(C2=CCCCCCC2)CC2(CCCCC2)C1	1912721591	ZHHPLSNPCOSKGF-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@@](O)(c1ccccc1)C1CCCCC1	1920029543	OZTJKNKSPBJPDS-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@H]1CCC[C@@H](C)C1	1920200394	COELMKHMYLTRHV-ZJIFWQFVSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](N)C1CC2(CCCCC2)C1	1921473697	MIIWVAYCGNHLMP-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@](C)(CNC(C)C)C1CCCCC1	1924079209	SZVDTDWESVIXRG-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@H]2[C@H](CN)CCCC23CCC3)CCCC1	1924835843	FZGYLCGVKDUTNQ-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCCC1)C1(CC)CC1	1925913207	YBCQROWLULMDOR-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(COc2ccccc2Cl)CCCCC1	1935606577	XCEZVGWDYZJQNH-UHFFFAOYSA-N	238.758	4.689	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CCC[C@H]1CC1(C)C	1940875026	WODPSRVHVZNFSA-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1csc2ccccc12	1941263213	NJSNJHZFAPSQEU-XHDPSFHLSA-N	247.407	4.583	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@H](CC(C)C)C(C)C	1941265622	XHHRXJGMSNCIQD-HZPDHXFCSA-N	239.447	4.639	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)CC1CCCCCC1	1944818715	GQEUJOHJMCNADX-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](c1cccc2sccc12)C(C)(C)C	1945968544	AJVRSYGDRRHTJY-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCCCCCC1(F)F	1947289619	NKMVHHRQAPLMBR-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)CCC(F)(F)CC	1947882488	CCUMCZMJPHIYSG-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)C[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948587635	SUSLNAXFXMDAPJ-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1(C(C)C)CCC1	1948933377	WGZBKDMROCXAMJ-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CC(C)(CC[C@](C)(N)C1CCCCC1)C1CC1	1949033204	CBHKFZCBYZFAIV-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CC(C)(C)CC[C@@H]1C	1949047707	WEXBIXZBIUFWFM-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCCC1([C@H](N)CC2(C)CCCCC2)CCC1	1949072194	MVEDUNWYMIFODY-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@](CC)(CNC)[C@H]1CCC(C)(C)C1	1949518897	NATSABNIBOIVMQ-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC(C)(C)CC)CCC1(C)C	1949662240	OEIZYOXPIALMFJ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1NC1C[C@H]2CCC[C@@H]2C1	1950291348	CABSHUSBAKMUHE-VXGBXAGGSA-N	249.785	4.639	0	10	BJAE	
CCN[C@H](CC(C)(C)C(C)C)C1(CC)CCC1	1951239273	QAFOKZACKLFFJG-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@@]1(CC[C@H]2C=CCC2)CCCC1(F)F	1960757932	VBJXMKFYTSJDPP-RYUDHWBXSA-N	214.299	4.558	0	10	BJAE	
CCC(CC)[C@@H](C)NC[C@@H]1CCCC(C)(C)C1	1963157851	YWZAAXDTEVKKQT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1CC(N[C@H]2CCCCC23CCC3)C1	1967737614	BUCKEBFKXAKNEB-NRXISQOPSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NC[C@H]1CCCCC12CCC2	1971304575	IKRVUFXWGIROIJ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1N[C@@H]1CCC2(CCC2)C1	1971487225	FITJPBRYUGWRDU-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(Sc2cc(C)cc(Cl)n2)cc1	1980321194	SRAHLPSAGNFTEF-UHFFFAOYSA-N	249.766	4.503	0	10	BJAE	
CC(C)CCCCCC(=O)CC[C@H]1C[C@@H]1C	1989510670	RFOMFEBTHPXMGE-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H](C)C(C)(C)C	1990092177	WDLDHJGDEYSIAY-ZFWWWQNUSA-N	227.436	4.747	0	10	BJAE	
CC=C(CC)c1ccc([C@@H](C)NCCC)s1	1994700947	UFFMAKXQDVGFRS-LLVKDONJSA-N	237.412	4.622	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NCCC)C(C)C	1995202919	ICUGIPDAHNXODH-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CN[C@H](C)C1CCC(C)(C)CC1	1996552824	NDKZNPZMINIFOS-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
Cc1csc([C@H](N)C[C@H]2CCC=CCCC2)c1	1999994154	RLPZONUGQOZOFM-UONOGXRCSA-N	249.423	4.583	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)CC1CCC1	2000513342	IPKGGXVHXJNIIA-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CCCC(F)F)CNC(C)C	2000513992	VNNKGZPCISAHFA-CQSZACIVSA-N	249.389	4.616	0	10	BJAE	
CC(C)=CCCN1CCCC12CCCCCC2	2000895760	AQNQANAAISHWDE-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCC[C@@H](C(=O)C[C@H]1CC12CCCC2)C(C)C	2001255779	UESMSWUGLDQSOQ-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(N)[C@H]1CCC[C@@H](C)C1	2003012476	AFLGNHPXEZGPGA-UGUYLWEFSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCCC(F)(F)C1	2003199020	GWLMKQIAYQSYSA-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CC[C@H]([C@H](O)C2(C)CCCCCCC2)C1	2004923872	VMUSRHXIYMPAFC-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@H]1CCC[C@H]1C	2006757595	DRVXBNVTQWLVGB-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)[C@@H]1CCC[C@H]1C	2006779470	YJRVGRLXXUETLY-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(C)(c2nc(C3CC3)cs2)CC1	2007696388	MEKNLOOQBKXIIV-UHFFFAOYSA-N	249.423	4.878	0	10	BJAE	
CC[C@@H]1[C@@H](CCCCCC(C)C)CC[C@H]1NC	2009249723	RXDKSQPFBKGDBQ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H](C[C@H](CC)C(C)(C)C)NC	2009635133	LJSTYGDENKSKAX-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CC(C)C[C@@H](N)CC1=CC[C@H](C(C)(C)C)CC1	2010768344	ZEWXNALYIZSDBY-LSDHHAIUSA-N	237.431	4.523	0	10	BJAE	
CC=CCCCNC1CCC(C(C)(C)C)CC1	2011444891	YJXFCKBUNAROOF-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2015194007	LOBCZAACVILTGB-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC(C(C)C)C(C)C	2015276499	YMRQRZBDMCZJNE-HOCLYGCPSA-N	242.447	4.882	0	10	BJAE	
CCCC1(C[C@@](C)(CC)CNC(C)C)CCC1	2015642341	PLNJHSSETOSGDM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H](C[C@]1(C)C[C@@H]1C)NCC	2016385632	GLVDUXXMPZTUDH-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@](O)(CC)C2CC2)CC1	2017649170	SREWJLGTFNCQON-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@](O)(C[C@H]2CC[C@H](C)CC2)CC1	2017651472	UQVSKTKQUAUCHI-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017776447	PDKGGLMNNXLBIK-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](CC)c1ccco1	2018075793	XAGKCHNKVMWYQV-KGLIPLIRSA-N	237.387	4.679	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@]12CCCC[C@@H]1C2	2018571145	CDFUZSHWZRVMSG-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(N[C@@H]2C=CCCCC2)cc(C)c1Cl	2019508392	ISIDUISGPJLITJ-CYBMUJFWSA-N	249.785	4.868	0	10	BJAE	
C[C@H](CN(C)[C@H]1CCCC1(C)C)CC(C)(C)C	2021079373	KAOBBZKXRBCUTD-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@H](CCC(=O)C2CCCC2)C1	2024102836	WKZXQDREMFXEJM-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C)Cc1coc2cc3c(cc12)CCC3	2026534062	SZRDTYPUXLUOEF-LLVKDONJSA-N	228.335	4.510	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@@H]2C[C@@H]2C(C)C)cc1	2028465968	PTINUOXXAZVDHP-IAOVAPTHSA-N	245.410	4.505	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)c1ccc(C2CC2)cc1	2028593314	LSFHRHQDSWUOQO-IAGOWNOFSA-N	245.410	4.636	0	10	BJAE	
C[C@](N)(CCCCCC1CC1)[C@H]1C[C@H]2CC[C@H]1C2	2028642485	AVRHPDBGAOULEE-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)c1ccc(C2CC2)cc1)C1CCC1	2029072548	XTLXHTVXJWRALK-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CC(=O)C1CCCCC1	2029168727	ICLFTRMRDIOEHB-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@]23CCCC[C@H]2CCC3)C1	2031797239	BZLDTFBXUJEKQG-QZWWFDLISA-N	249.442	4.658	0	10	BJAE	
CC1CCC(NC[C@]23CCCC[C@@H]2CCC3)CC1	2031807593	GLOABRYLIDQDOM-MNAZLIDISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](NC[C@@]23CCCC[C@H]2CCC3)C1	2031809986	VRRJYSXCQJTDTL-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2033569916	HWCFNBYKSDCGHW-GBJTYRQASA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@@]1([C@@H]2CC2(C)C)CCC=CCCC1	2033634384	VAXOHEZMYUCZBI-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@H]1C[C@@H]1C=CCC1	2035590309	KBHHNQQWOKEBDX-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)C[C@@H]1C=CCCC1	2035599144	MDJWPVNGAHAXEO-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
N[C@]1(C2=CCCCCCC2)CCCC12CCCC2	2037074137	CAKGVTVUAUGHJH-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)[C@H]2CC=CCC2)CC1	2037198503	ONVUQHXAMASSTR-SLTXQBBLSA-N	249.442	4.523	0	10	BJAE	
C(CC1CCCCC1)=C1CNC2(CCCCC2)C1	2037763745	YMWCZBVERNUDBZ-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCC[C@](N)(CC1CC2(CCC2)C1)C1CCCC1	2038079132	RNDZWXLHELWWML-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC1CCC2(CC1)CC(N)([C@H]1CCC[C@H](C)C1)C2	2038942051	YXPXBJWSLHLAEB-YTVKCJQUSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(NC[C@H]2CC23CCCCC3)c1F	2039050217	GMSMZHWCKBFALE-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
C[C@H](N[C@H]1CC12CCCCC2)C1(C)CCCCC1	2039866677	AKOAYNSAMCOEMY-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
C[C@@](N)(CCCCCC1CC1)C12CCC(CC1)C2	2039871833	IARSHBFWCLYDKG-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)c2ccc(C3CC3)cc2)C1	2040149599	MNCPRDKFHICLTQ-OLZOCXBDSA-N	242.362	4.573	0	10	BJAE	
CCCC(C)(C)[C@H](NC)c1ccc(C2CC2)cc1	2040722690	AVXCKVGSOUAHSG-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCN(C[C@@H]1CCC=CCCC1)[C@@H](C)C1CCC1	2045310938	HDRYDFSOTMINJY-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)C[C@@H]1CCC=CCCC1	2045317483	MDWCRWXOORPYKN-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)C[C@H]1CCC=CCCC1	2045330860	ZPARWEJVEAGWPB-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@](C)(O)c2ccccc2)C1	2045374466	LKJDQOOXDNRCRI-RHSMWYFYSA-N	246.394	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)Cc1cc(C)cc(C)c1	2045608837	RWOOXJRINFVUAS-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)C[C@@H]2CC23CCCCC3)C1	2047014532	CDTAJXLAAFJFGB-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
FC1(CNc2ccc(C3CC3)cc2)CCCCC1	2047239372	WKRFYOPUMXZVFU-UHFFFAOYSA-N	247.357	4.648	0	10	BJAE	
CCCNC[C@H]1C[C@]12CCCCC21CCCCC1	2047561732	QMEJCBUCCRGRKS-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CCCC1(C(=O)CC2[C@H]3CCCCC[C@H]23)CCC1	2048469864	FKLOBMMVCLZBLJ-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@H](N[C@H](C)[C@@H]1CCCC(C)(C)C1)c1ccoc1	2049539480	HCQRHCYPTAECKO-HZSPNIEDSA-N	249.398	4.535	0	10	BJAE	
CN[C@@H]1[C@@H]2CCCCCCC[C@H]2C12CCCCC2	2049672267	KOIXFGRHADWWMM-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(N[C@H]2CCCC23CCC3)CCC1	2049677133	ZLVBPGKOMQNRGJ-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@H]1CCCC2(CC2)C1	2049856265	OCTVRNKFQKUZDV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049862647	WMEUJVGDDQKEHQ-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)c2ccc(F)cc2)C1	2050495942	ZMQFZHBPEXRAHS-OLZOCXBDSA-N	248.341	4.615	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)c1ccco1	2050525761	RLAJDIPHILADGT-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CCCC(C)=C1C	2055553601	AMNWIRRPXJDXQI-BRWVUGGUSA-N	249.442	4.824	0	10	BJAE	
CCC1(C[C@H](NC)C2(C3CC3)CCCC2)CCC1	2057604365	QOFKDUSWXXIBFI-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
O=C(CC[C@@H](F)C1CCCCC1)c1ccccc1	2058029497	GYZPLXIRUMZAMO-OAHLLOKOSA-N	248.341	4.568	0	10	BJAE	
CC=CCCC[C@@](N)(CC(C)C)c1ccccc1	2059196835	SMQOWMXIJIGVHP-QGZVFWFLSA-N	245.410	4.633	0	10	BJAE	
CC1(C)CCC[C@@H]([C@]2(N)CCCCCC23CC3)C1	2062008151	BTDONCSWTBGOCS-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNc1cccc(C2(C)CC2)c1	2062641761	LCTQKAOWCYPJNB-KGLIPLIRSA-N	243.394	4.586	0	10	BJAE	
Cc1ccc(C)c(OCC23CCC(CC2)CC3)c1	2065285112	BGTFTYALOPGRRL-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CCCN[C@H](C)C1(CC23CCC(CC2)CC3)CC1	2065338636	UFWMMDGVUOHCNS-QQFBHYJXSA-N	249.442	4.515	0	10	BJAE	
CC1(F)CC(CNc2ccccc2C(C)(C)C)C1	2065815630	TZVUEVUFVQQICU-UHFFFAOYSA-N	249.373	4.534	0	10	BJAE	
CCCC1(CN2CCC[C@H]3CCCC[C@@H]32)CCC1	2069282611	MFWZQKIVCWIRBT-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CC[C@@H]2C2CC2)CC1	2071794049	KTBALQWMAKALSF-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@H]2C=CCCC2)CC1	2072797698	BQBDTMBILOPFSF-GQGLESIBSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@](N)(CC)c1ccc(C2CC2)cc1	2073341934	UEAWMVJSSVXTPR-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
CCCC1(C[C@@H]2Nc3ccccc3C[C@H]2C)CC1	2074635768	GLHJXEITRMTTTD-CJNGLKHVSA-N	243.394	4.630	0	10	BJAE	
C[C@H]1CCC[C@H](CN2CCC23CCCCCC3)C1	2074864465	JKZIGOVEDCSPBH-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H]1CCCN([C@H]2CCC23CCCCC3)C1	2075017287	TVLCNQXZNMSVDV-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC(C)CC[C@@H](C)N1CC[C@@H](C)c2ccccc21	2075234289	VWMZKLMANQPFTL-HUUCEWRRSA-N	245.410	4.825	0	10	BJAE	
O[C@]1(CCC2=CCCCC2)C=CCC2(CCC2)C1	2075711129	WOBIQSAKEVWAFF-KRWDZBQOSA-N	246.394	4.518	0	10	BJAE	
Cc1cccc(F)c1C(=O)CCC[C@H]1CC1(C)C	2075976424	HSNBXUHAANWLSC-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccccc2C2CC2)C1	2077261884	HDDKONUMGMXRQN-ZFWWWQNUSA-N	243.394	4.945	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2C[C@@H]2C2CCC2)CC1	2079419964	LAVIMOGHIFXXTM-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2C[C@@H]2C2CCCCCC2)C1	2079525974	CVAJNQWWBAZBQM-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
C[C@@](N)(C[C@@H]1C[C@H]1C1CCCC1)C1CCCCC1	2079882846	AXRZYRJSJUAKPP-BHYGNILZSA-N	249.442	4.501	0	10	BJAE	
CCCCC1CCC([C@@H](C=C2CCC2)NC)CC1	2080254307	BYZFJZJHKGQDNB-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CN(C1CCC2(CCCCC2)CC1)[C@H]1C=CCC1	2081803216	VWNXNKAFZGAWFQ-HNNXBMFYSA-N	247.426	4.530	0	10	BJAE	
C[C@H](N[C@H]1C[C@H]2CCC[C@H]1C2)C1(C)CCCCC1	2086159517	XHRGHRGPNAZGLG-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@](O)(CCCCC1CC1)C(C)(C)C	2211122497	XFURUGNLRFFVSL-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@H](CC[C@H]1C[C@@H]1C)NCC	2215243974	GPYBGVZZUJQKBZ-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC1(C)CC(C)(C)C1	2215382370	FDUPKQCDMPBPQV-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@](C)(N)CC1(C)CC2(CCC2)C1	2215438638	XFKJQCZNGCRPQL-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@@]1(C)CC=C(C)CC1	2215818259	QAFJCXKKLUJZBC-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@H](C)C(C)(C)C)CC1	2215818667	WXACTUZILGVCOE-LZWOXQAQSA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNC(C)C)CC=C(C)CC1	2215825491	DRKUJBKKRAYDOA-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCO[C@H]1C[C@@H](C/C=C/c2ccccc2)C1(C)C	2219077716	FYIPGYJXVQFBGP-IRZHHCKBSA-N	244.378	4.541	0	10	BJAE	
N[C@@H](CCC1C[C@H]2CCC[C@@H]2C1)C1CCCCC1	2220295461	CJYYZGLQFJSOKK-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC12CCC(CC1)CC2)C1CCCCC1	2220304200	ZLXFGSFVNZPRJJ-WIHSUSGWSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)[C@@]1(C)CC=CCC1	2220931787	GEURCFSHANWVOW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCCC1)NCC1(C)CC2(CCC2)C1	2220939626	QKTBVSVJYCGWQS-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](NC)[C@]2(C)CC=C(C)CC2)CCC1	2221621462	DQJZJJWEXXYHSS-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C[C@](C)(N)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222955395	SLJVYZNUDDKEAF-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](C)c1ccc(F)cc1C1CCCC1	2223265620	NOKSMTCVXXIFEH-LBPRGKRZSA-N	249.373	4.544	0	10	BJAE	
C[C@@H](C[C@H](O)c1ccc2occc2c1)C(C)(C)C	2224132996	RNBDNXCQWGLVRU-FZMZJTMJSA-N	246.350	4.539	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)c1cccc2ccoc12	2224181564	QHSZSOWKNWRQAB-WFASDCNBSA-N	245.366	4.520	0	10	BJAE	
CCCCCC(=O)CCCCC[C@@H]1C[C@@H]1C	2243885838	PMMFQKHKFIDJHC-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CC(C)CC[C@](C)(N)CC[C@@H]1CCC[C@H](C)C1	2246733051	PHEYPTWIABJZBV-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@H]1CCC12CCC2	2247438047	DFMPIWWSFFWPBB-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H](C)[C@@H]1CC12CCC2	2248283725	QLEUCTRENYBFLA-YPMHNXCESA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@](C)(O)C1CCCC1	2248868697	CUUIWIXOYOALLG-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](C)(O)C1CCCC1	2248868700	CUUIWIXOYOALLG-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@H](C=C1CCCCC1)NCC	2250367948	BMKGKIFJVFCHMM-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](CC)CN[C@]1(C)CCCCC1(C)C	2250381106	LAAISCZSANMVFB-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1C[C@@H](C)CC1=O	2250490205	GQMTVXOUOHYTKS-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(O)C1(C)CC1	2250496812	VXWJONDWRDMFMO-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@]12CCCC[C@H]1CC2	2251127353	UCCSJKDEUKMJGM-GOEBONIOSA-N	234.383	4.662	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@]12CCC[C@@H]1CC2	2251221172	NNGNWXUXTKJOBF-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc2ccsc2c1	2253058355	CYIISNVXZHHVDE-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCCCC12CC2)C1CCCC1	2253816094	JMBJGDAGIVIBNM-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(F)c1C(=O)CCCC[C@@H]1C[C@H]1C	2254517949	ATZCSLBSJNSQCF-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
CC[C@@](N)(CC[C@@H]1CCCC12CC2)C1CCCC1	2255328731	HABBKIBNAQDPGF-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc([C@@H](O)CC2(CCC)CC2)cc1	2256311899	LCYTYAZOHMPJSX-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CCN(CCCCC[C@H]1C[C@@H]1C)c1ccccc1	2257285891	ZFSPGJHBNNCTOT-HOTGVXAUSA-N	245.410	4.729	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC1(CNC2CC2)CCC1	2257292059	NBWTTWZOVNGGBF-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CC(Nc2cccc(C(C)(C)C)c2)C1	2257966629	CAODROLLGRCJMR-UHFFFAOYSA-N	245.410	4.831	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@]12CCCC[C@H]1CC2	2260501004	NNNHEWIHNMGRHV-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CC1(C(=O)C[C@@]23CCC[C@H]2CC3)CCCCCC1	2260652963	VRCJDYSHBMAHIF-YOEHRIQHSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CC[C@@H]1CNc1cccc(C2CCCC2)c1	2260665680	XMIAMJIFHGDZAG-CZUORRHYSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(C[C@]23CCCC[C@@H]2CC3)C1	2260680351	XKEHANNVBVQZLG-QBPKDAKJSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](CCC1CC(C)C1)C1=CC[C@@H](C)CC1	2261497574	NLTWIPVOWJGBKR-VXTDNTOSSA-N	249.442	4.537	0	10	BJAE	
CC1CC(CCC(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2261512800	JVMYMGCGMJKMBD-YTNKCCKRSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)NCCC1(C)CCCC1	2298842759	XBAAEKXTDRIHNG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(C(=O)CCC(C)(C)C)ccc1C	2299663554	URMGUDAMTRSJOQ-UHFFFAOYSA-N	232.367	4.566	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@H]1CCC(C)(C)C1	2300681831	STLXACNQLLLVEW-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CCC(CC)CC)C1	2300701352	QRFADUYMACJPFM-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)CC[C@H](N)C1(CC2CCC2)CC1	2300707212	YUCYPBXBNRAAKR-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CC[C@H](NC)C1(C(C)(C)C)CCC1	2300878022	XAEGMYPLEUEXSF-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H](N)CCC1=CCCCC1	2301907585	KKBXPFBGXGAFRT-SQWLQELKSA-N	237.431	4.523	0	10	BJAE	
CC(C)C(CC[C@@](C)(O)[C@@H](C)C(C)C)C(C)C	2301919408	ORWZPUKTRCEZKE-GOEBONIOSA-N	242.447	4.738	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)[C@H](C)C1CCCCC1	2301970957	JXCWTXPXUWBMLJ-SOUVJXGZSA-N	239.447	4.568	0	10	BJAE	
CC(C)C(CC(=O)CCC[C@@H]1C[C@H]1C)C(C)C	2302607732	BMOFSOCEJNAADS-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1CC[C@H](C)[C@H](C)N1	2302684410	CQFGNNZPXGOPFZ-VGWMRTNUSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@H]1CCC(C)=C(C)C1	2303523505	KKJXHQQWLSEBFT-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@@H](CCCCC(=O)C(C)(C)C)C1	2304426000	QRNHDCOHKBTEOQ-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(N)C[C@@]12CCC[C@@H]1C2	2310891436	PLWYLPVGKWZYKW-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	2311479350	JZGCVXBDBVOQES-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)[C@@]12CCCC[C@@H]1CCC2	2311609731	NDWHUUBGXAEPNU-QSJFSLAZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]23CCCC[C@@H]2CC3)[C@H]1N	2313348026	ZJITZHLTBIPBQE-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCCN1CC1CCC2(CC1)CC2	2313614129	DWSHFGHHBYCQSI-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)CCC[C@](C)(O)c1cccc(C2CC2)c1	2315919419	WOFJHEKMHBXNDC-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CC(=CC[C@@H](N)[C@@H]1C=CCCC1)CCCC(C)C	2316503477	PRZGPENIOPWFDD-IAGOWNOFSA-N	249.442	4.833	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1Nc1cccc(C2CCCC2)c1	2316580834	BMNBVAYPGIXLQC-LAQFHYBYSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc2ccn(CC3CCCCCC3)c2c1	2316937397	LABPJCRJOKSVID-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1C[C@H]2CCC[C@@H]21	2317919380	DRCWTZCGFCAWMZ-BYCMXARLSA-N	247.357	4.550	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1cc(F)ccc1C(C)C	2317921900	DAXIHGSWGGZXQB-CHWSQXEVSA-N	249.373	4.797	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cccc(OC)c1C	2318408866	OGVYDSIDODJGHE-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
CNC[C@]1(CCCC2=CCCCC2)CCC[C@H]1C	2318584353	ZQHKUQQTNUUANQ-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)CC[C@@H]1CCCC12CC2	2318931837	FELQCHQUWBRPMU-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CCC[C@@H]2C[C@H]2C)NC)CC1	2318938171	HILOZEYMZANDNL-SRABZTEZSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@@]1(C[C@H]2CCC(C)(C)C2)CC=CCC1	2319064534	ILJVKRSHJIZFPD-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C[C@H]2CCC23CCC3)C1	2319292492	GDFXQTKLXBURCB-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c(OCC[C@@H]2CC[C@H]2C2CC2)c1	2319747425	FSOGIAUUIZFNEB-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC[C@H]2C(C)(C)C)CC1	2320410427	DOUBIISDYXWOPW-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(OCC[C@@H]2CCC(C)(C)C2)cc1	2321634002	NVMCFDHSKUROJS-HNNXBMFYSA-N	246.394	4.844	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)c1c(C)cccc1C	2328273601	OCWMNJSGCDONQF-HZPDHXFCSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H](Nc1cc(C)ccc1C)c1ccccc1	20548147	UXKDCICELSYBOS-MRXNPFEDSA-N	239.362	4.867	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1CC=CCC1	20563320	MVFHWKDCFIIOKH-AWEZNQCLSA-N	229.367	4.578	0	10	BJAE	
CCCCCCN[C@@H]1CCCCc2ccccc21	21013327	HRIVAIHFSIOQTK-QGZVFWFLSA-N	245.410	4.624	0	10	BJAE	
Cc1ccc(C)c(NC2[C@@H](C)CCC[C@H]2C)c1	21505983	GIBAQQHKWVTRNE-MZBDJJRSSA-N	231.383	4.540	0	10	BJAE	
CC(C)c1cccc(-c2ccc([C@@H](C)N)s2)c1	36927595	VQPYXGODHQQYKE-LLVKDONJSA-N	245.391	4.558	0	10	BJAE	
CCC[C@@H](c1cccs1)n1c(C)ccc1C	49546850	BKAGDTIHXNTKRH-ZDUSSCGKSA-N	233.380	4.556	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@H](C)C[C@@H]2C)c(C)c1	68610946	JBSUEXFDJKSSNX-NOLJZWGESA-N	231.383	4.540	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(N)CCC(C)(C)CC2)C1	79657634	YXSKWYXGIBQEOS-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1[C@H](N)CC(C)(C)C	83262203	VAMIKHAKEWFWKH-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
CCc1ccccc1O[C@@H]1CCC[C@H](CC)C1	85151183	OIYFGMQBQNFCCS-DZGCQCFKSA-N	232.367	4.597	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(C2CCCCC2)CC1	86950976	CRVHILUVCSVCCQ-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H]1CC[C@H](CC)C[C@@H]1C[C@@H](C)CC	109663167	VWXKABNQUKDKAF-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)C(=O)CC(C)(C)CC2	110268230	SPVOTHBSEZDIRO-LBPRGKRZSA-N	244.378	4.745	0	10	BJAE	
CCCCCC[C@H](N)c1cc2cccc(C)c2o1	129132553	NMIRAEIJAWHVLC-AWEZNQCLSA-N	245.366	4.711	0	10	BJAE	
CCCCCC[C@@H]1CCCCC[C@@H]1CNCC	130765770	VIARZNPTRSSFPC-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)c2ccc(CCC)cc21	136927941	TWAQEWONPYNYMG-CXAGYDPISA-N	245.410	4.577	0	10	BJAE	
C[C@H](N[C@H]1CCCC1(C)C)C1CCCCCC1	149827283	UCKZUCQLVQCBTJ-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CN[C@H](CCC1CCCCC1)CC1CCCC1	162702571	BTCCCAUVASXARA-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)CC1CCCC1	163391145	GLXYHRFPWUWBLP-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1c(C)cccc1F	224941402	IFSGQAWXYBUQQO-JSGCOSHPSA-N	235.346	4.515	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@H]1CCCCC1(C)C	226879511	SBHQEVYZVURVHS-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
Cc1csc([C@H](N)CCCC(C)C)c1Cl	232555772	CDLGDIFZMRTTKY-SNVBAGLBSA-N	245.819	4.536	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C)Nc2ccccc21	232945625	VCUCPYPIBAGLOS-ZIAGYGMSSA-N	231.383	4.945	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)(C)C)[C@H](C)CC	253049132	SIOKGOJSTLUHRF-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CC[C@H](C)CC2)CC1	253142481	XTDKGWSPEVYBPG-KLHDSHLOSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCC23CCCCC3)[C@H]1C	299949702	CMSUMOVQLAMAFS-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H](C)CC)NCCC	300893933	IAIKCQOHHPVATF-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@@H](C)CNc1cc(F)cc(Cl)c1	300918967	MRFSKSMXQXLPSJ-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1ccc(C(C)C)cc1	302427956	UXXBPOLILWRTBD-RHSMWYFYSA-N	248.410	4.916	0	10	BJAE	
CC[C@@H](C)c1csc(C(C2CC2)C2CC2)n1	304635356	ZWDFCFMLKPQWAH-SECBINFHSA-N	235.396	4.560	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@H]1CCC[C@H](C)C1	308055742	OFYFWVTYNGTTPV-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)c1cc(C)cc(C)c1	308061661	SQUMHCIVEIQDHC-NVXWUHKLSA-N	247.426	4.766	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1C)[C@@H](C)CC(C)C	310667429	DYWAPEUBVHEUCD-WMLDXEAASA-N	247.426	4.636	0	10	BJAE	
CCCCCC1(CNCC)CCC(C)(C)CC1	317750924	VBTSIPCLTPNQDV-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C/C(=C/c1ccc(C)c(Cl)c1)[C@@H](C)Cl	379518114	AKAVCEQCKURUCP-ABRRARGCSA-N	229.150	4.679	0	10	BJAE	
CCCc1ccccc1-c1cccc(C(C)=O)c1	384674621	RLHZGCWNNDGHAM-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
Cc1ccc(Cl)cc1NCCC1=CCCCC1	385180852	NIKIYNKBAGBXNE-UHFFFAOYSA-N	249.785	4.951	0	10	BJAE	
C[C@H]1CCC[C@H](CCNCCC2=CCCCC2)C1	385264983	ZATNAXALIZAUPB-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2cccc3ccsc23)C1	386241578	OYINHRBBXUUHRV-ZYHUDNBSSA-N	231.364	4.502	0	10	BJAE	
CCCN[C@H](CCC)CCC1(C)CCCC1	390661716	QHIPENRIIUQHLK-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
C/C(=C\CCNC(C)C)C1=CCCCCCC1	393960927	RSJNNWCEONRJHR-FEWYVSLTSA-N	235.415	4.601	0	10	BJAE	
CCc1csc2ccc(S)c(C(F)F)c12	396234261	DINISOIGHOVHSZ-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
Cc1c(S)cc(C(F)(F)F)c2sccc12	396295649	FZSRJQJXFJNTNF-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@H](Nc1ccc(C)cc1)[C@@H]1CC1(C)C	397667412	YNFBVONBZALKDB-GJZGRUSLSA-N	231.383	4.622	0	10	BJAE	
C[C@@H](Cn1ccc2ccc(Cl)cc21)C1CCC1	398629987	OLJNIGUBOODQDH-NSHDSACASA-N	247.769	4.731	0	10	BJAE	
CC[C@](O)(CCC(C)(C)C1CC1)C1CCCC1	406020048	CKLNANJUIAMOAS-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)c1cccc(C)c1	688403181	CRFKKGHUFFMLJY-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
O=C(CCC1=CCCCC1)C1CCC2(CC1)CC2	695607349	RUXGAKAALHYYRB-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1CCCC2(CC2)C1	695716048	IYOWLGJUFQKAQU-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCNCC/C=C(/C)CCC(C)(C)CC	696798520	BYKSWSIGYINROL-ZROIWOOFSA-N	225.420	4.539	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCC[C@@H](C)CC1	696809755	YTGHLQYLQZAZCI-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C[C@H]1C[C@H]2CC[C@H]1C2	697774685	MXBONHXPIUKGJN-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCCCC12CCCC2	701117265	XHBJSMYOMHMAAS-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
N[C@]1(CCC2CCCCC2)CCCC[C@@H]1C1CC1	704472671	ICTLLNSQFHMWER-SJORKVTESA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H]1CC2CCC1CC2	704503755	LVTZJVXDSXAKEW-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CCCCCC(C)C)[C@H]1CC1(C)C	704827694	QLUHWEDIGHKDMD-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@](N)(C[C@@H](C)CC(C)C)C1CC1	704837113	RCFNKNOIDOWNKP-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@@H]1CC2CCC1CC2	704942878	SPXYNPGADZHLLM-WXGPCXSOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(N)CCC23CCCCC3)C1	705265491	JZPSPVLWFYFCQG-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H](C1CCC1)C1CC1	705300173	WDGXDXUMKBHGFB-KRWDZBQOSA-N	241.378	4.555	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1cscc1Cl	710427769	SYCIIZFCCNUJPB-BXKDBHETSA-N	246.803	4.651	0	10	BJAE	
Cc1cc(N[C@@H](C)c2ccc(C)s2)cs1	710705480	LENWLLPQQPSNOU-JTQLQIEISA-N	237.393	4.600	0	10	BJAE	
CCC1([C@@H](C[C@@H](C)C(C)(C)C)NC)CCCC1	711148779	HIKJNUWZZQXESZ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@H](O)C1CCCCCC1)C(C)(C)C	711183952	YGRBCTZVIPPERR-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
C=C/C=C/CCN[C@H](CC)c1cccc(Cl)c1	713505840	YZQHNMLUMIGXIM-LLYBFZRZSA-N	249.785	4.513	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)c1cc(C)c(C)s1	713689195	YEHQJKMERFNDLY-DANTVBBOSA-N	249.423	4.538	0	10	BJAE	
CC(C)=C(C)CCc1cccc2cnccc12	718649004	SAYJNISFVJOOPR-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCc2ccccc2C1=O	719176373	RVFMHOWJCLVXJU-OAHLLOKOSA-N	242.362	4.568	0	10	BJAE	
CCC(CC)CN[C@@H](CC)CC1CCCCC1	720941857	YCRODMMMKBYZPZ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CNC2(CCCCC2)[C@H]1C1CCCCCC1	721028699	LZLLOUWYBYUNFT-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@H](C1CCCC1)C1CC1	723958789	CQVYIIHTCANELX-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(C)c(OC)c1	821909999	VEMJURGLNLIIEL-JSGCOSHPSA-N	249.398	4.630	0	10	BJAE	
CC(C)N(C[C@H]1CCCC[C@H]1C)c1ccccc1	1473229679	FHGZQKOQDBBQIX-HZPDHXFCSA-N	245.410	4.728	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Oc1cc(F)ccc1Cl	1901618860	QYOOELVSPCFRLP-UWVGGRQHSA-N	244.737	4.539	0	10	BJAE	
CCC(C)(C)C(=O)CC[C@H]1CCC(C)(C)C1	1903409995	UZPZKKOVKMOHAZ-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CSc1ccc(O)c(C)c1	1905369983	VYPXKFCMUGWBEJ-GFCCVEGCSA-N	238.396	4.619	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1NC1CCCCCCCC1	1910685173	WWHVLARYPWTSNE-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@@H]1CCCCCCCCC1=O	1913389683	MIXBBSVQKPALJZ-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](O)(c1ccccc1)C(C)C	1919933615	HLSAUIKFXMVBEK-RDJZCZTQSA-N	248.410	4.603	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@]1(N)CCCCCC1(C)C	1921538209	FPXGOJAORYAKCX-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@H]1CCCC12CCC2	1921636971	RWIXLIWEPNSNKJ-HNNXBMFYSA-N	246.394	4.662	0	10	BJAE	
C1=C[C@H](CNCC2CCCCCCC2)CCCC1	1925818974	FZUHUHBZJJNKPP-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C1=C[C@@H](Cc2ccc3c(c2)CCCC3)CCCC1	1925831004	VTBLHRBNDWXPGX-OAHLLOKOSA-N	240.390	4.854	0	10	BJAE	
CC1(C)CCC(=CCC2=CCCCC2)[C@H](CN)C1	1927156718	HWHAYSPBJCACMF-INIZCTEOSA-N	247.426	4.588	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@@H](C)CC(C)C	1940794111	AMQSFRBKHIGETB-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(O)(CCCCCC2CC2)CC1	1941580238	XARLWGNMBBLCHM-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC1CCC(N)([C@@H](C)CCC(C)C)CC1	1942654823	DJDHXRPJCZLEPS-FHERZECASA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNCC)CCCC1(C)C	1944475028	HGHXSQZSCWPEIP-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)CC(=O)C(C)(C)C1CCCCC1	1944640934	HKJSZYMJOIGHAM-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CCC[C@H]1C)C(C)(C)C	1944849956	QEBZRAMQIUKUHQ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@]1(O)CCCCCC1(C)C	1944854636	ZMHMPUZXJYTIJP-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC1(C)C)C(C)(CC)CC	1945742098	JYKUUFJEEQWZRX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1cccc2sccc12	1945947144	IKUGXHXOFQGVQE-ZDUSSCGKSA-N	248.391	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(O)CCCCCCC2)C1	1947546910	NMGDWEVAEUAJRD-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2C=CCCC2)ccc1Cl	1947553556	ZGPPGZCUJSIMCV-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@@H]2C=CCC2)cc1	1947559136	PDBBLNHHXRDLEU-ZIAGYGMSSA-N	230.351	4.545	0	10	BJAE	
C1=C[C@H](COc2cccc3sccc23)CCC1	1947561532	JDMUDYZPLJZHRU-LBPRGKRZSA-N	244.359	4.636	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H]1C=CCC1)NCCC	1947576008	LDNQBPWRWNNJGG-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@]1(O)C[C@H]2CCCC[C@]2(C)C1	1948596458	PNWZHCXBAFBZHZ-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C2(C)CCCCCC2)C1	1948983659	DPTRKIOGTVNQDD-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC2CCCCC2)C[C@H]1N	1949659106	CUQVUVRNFAICQO-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)CC2CCC=CCC2)C1	1949738880	WZLQVBCZVTZTCH-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC(C)CC[C@H](C)C[C@H](N)CC1CCCCC1	1949906968	JOQFTKJKCAIGPN-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@]1(C(=O)O)CCCC(C)(C)CC1	1950913147	DXMJOMQUTGKBNY-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2C[C@@H]3CCCC[C@@H]3C2)C1	1966045937	MDMMBJIOQQVADM-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(NC2CC(C3CCC3)C2)cc1	1968295621	VANDBYKDLYKIRE-UHFFFAOYSA-N	243.394	4.801	0	10	BJAE	
CCc1cccc(NC2CC3(C2)CC(C)(C)C3)c1	1968339951	QQWMZOGUDWWWKT-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
Cc1cc(N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)ccc1F	1968591470	JLMYPLBOKWIDNV-QQHRNGFRSA-N	249.373	4.617	0	10	BJAE	
CCC[C@@H](C)N(C)Cc1cccc(C(C)(C)C)c1	1968854261	PQARIXRNPOBOOB-CQSZACIVSA-N	247.426	4.605	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cc(C(F)F)cs1	1977078956	PEQYKVCDYGNNHT-SNVBAGLBSA-N	248.338	4.545	0	10	BJAE	
CCCCC[C@@H]1CCCCCCC[C@H]1NC	1980350013	CJJMXCPXSKNDEN-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCCCCC(=O)CC1(C(C)(C)C)CCC1	1989449827	XWDWYDALWYITTL-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@@H](C)[C@H](C)CC	1990888354	QRQHCGSOWCDAJI-ILXRZTDVSA-N	227.436	4.712	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC1(CC)CC1	1995263283	RACHXCKXWHCDMS-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C1CCC1)N(C)C[C@@H](C)CC(C)(C)C	1995742861	CDKNUWWOTHJALT-DZGCQCFKSA-N	239.447	4.569	0	10	BJAE	
C[C@@H](NCC1(C)CCCC1)C1(C)CCCCC1	1995990717	JMWGHVTURTWKPM-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC(C[C@](C)(N)CCC2CC2)CC1	1996366356	SDMJGKVLOASZIW-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CNc1ccccc1SC(C)C	1996565141	YEMCMVGJYKMDPO-CHWSQXEVSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CCC(C)(C)C)CC1	1997107704	DKXXQQIKIKIJRL-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1CCC=CCCC1	1999985747	MJJUUISHMHGJMV-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
Oc1ccccc1SC[C@H]1CCC=CCCC1	1999997899	CBPXMOMNANOLOB-ZDUSSCGKSA-N	248.391	4.621	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(O)CCCCC2(C)C)C1	2000029197	WVBKLGBMOCDWKF-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)C1(CCC)CCC1	2000376520	NNXILNUNTZTRNG-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@H]1CCCCCCCC1=O)C1CCC1	2003074610	KXJGGZCUONKWLS-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC1(O)CCCCCCCC1	2003111717	NWKPRULULWRSJK-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCC[C@@H](CCC)CC1	2009572669	OJNSYTXVAOCCHO-CFSAUIFESA-N	237.431	4.811	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCC[C@H]1CNC(C)C	2009612230	SSDLOBJAHSAOTR-SGFLJFKBSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1N	2009616691	LDZFSDLVJMXEIV-RRFJBIMHSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C1=CC[C@@H](C)CC1	2010621907	CQWJHTFYVTVFLL-IIAWOOMASA-N	237.431	4.537	0	10	BJAE	
Cc1cscc1C(=O)CC1CC(=C2CCC2)C1	2011071174	DIJSPHMNXAVVFK-UHFFFAOYSA-N	246.375	4.520	0	10	BJAE	
CCCC(CCC)[C@H](O)CC12CCC(CC1)C2	2012822418	JICMRMFYVPEUGU-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C[C@H](C)C(C)C)CC1	2015335037	JKIMQEXKAOUGKJ-XHSDSOJGSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@@H](C)CC(C)(C)C)CC1	2015761457	XRLCARAZCHOGRB-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CN(CCC(C)C)C1CCCC1	2017461314	IMRKVFSXHKFCLP-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCCCCN(C)CC1CCC(CCC)CC1	2017647135	CCBHDFWBQQYIIW-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@H]1CC[C@H](C)CC1	2017650616	JDRWVVCWGPEOKP-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC2CC(C)C2)CC1	2017655302	LXHKBVSWGVAXKM-MDPANVJJSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(C[C@H](C(C)C)[C@@H](C)O)CC1	2017717047	OAVCJJKDAIFCEH-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@H]1CC[C@H](C)CC1	2017776692	SJRUNEIGLRIWLD-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1CC(C2CC2)C1	2018130218	NDOCYQXDNLQFLO-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC[C@H]1CC(C)C	2018137595	XMKAKXVPWLSZFV-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1CCCC[C@@H]1C	2018138896	MBPDQOAVZKUPAN-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@]2(N)CCC(C)(C)C[C@H]2C)CC1	2018975494	PBPIPIRLQZAYJI-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](N)C2(C)CCC(C)CC2)CC1	2018994376	BDQLMSMWIHIGDS-SLTAFYQDSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)CC1(CC)CC1	2019005332	DCRJWFDTYLLXJL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCN(CCCC)[C@@H]1CCCC[C@H]1CC	2019200646	PLGDICHTHCNNGI-HZPDHXFCSA-N	239.447	4.857	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H](C)C1CC(C)(C)C1	2019382403	OXSHVKUEKLCDHW-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
CCN[C@@H]1[C@@H](CCC=C(C)C)CCCC1(C)C	2020363236	HKZTXEBHGMLTOS-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN(CCCC1(C)CC1)C1CCCCC1	2020535266	DMLRKEVRKYPWBK-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)C[C@@H](CC)C(C)(C)C	2022487105	PRDVNNIPZVTAFC-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(CC(=O)CC=C(C)C)CC1	2023319023	LDGUPSKHMSUZHK-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC1(C(C)C)CCC1	2023335177	FHIBRDJHUHFGTQ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)C12CCC(CC1)C2	2027314016	LTNJGAZTAARCRZ-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](NC)c1ccc(C(C)C)cc1	2028252958	SAMMXLFBWURHIZ-SJORKVTESA-N	247.426	4.753	0	10	BJAE	
CCC[C@H](C(=O)c1cc2ccccc2o1)C(C)C	2028256243	XNNAIAGUNBOWHL-ZDUSSCGKSA-N	244.334	4.688	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1cccc(CC(C)C)c1	2028264040	NWHKNDWTABXPQA-DLBZAZTESA-N	247.426	4.567	0	10	BJAE	
CCCN[C@@H](CCC)c1ccccc1C1(C)CC1	2028561446	AJGYMMORGXWQKN-INIZCTEOSA-N	245.410	4.579	0	10	BJAE	
N[C@@H](CCC1CCC1)c1ccccc1C1CCC1	2029075040	OOHAXCYITWHEBL-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C2(C)CC(C)C2)cc1	2029108337	OHLSBIJMOZDJHY-JZLYGMAVSA-N	244.378	4.819	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@]23CCCC[C@H]2CCC3)C1	2031807903	IFVGHBMZTQGCJG-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](NC[C@]23CCCC[C@@H]2CCC3)C1	2031809983	VRRJYSXCQJTDTL-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C([C@]2(N)CCCC23CCCCC3)C1(C)C	2034039316	ILSDRUACGCMAAV-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@]2(N)CC[C@H]3CCCC[C@H]32)CCCCC1	2034260551	VFIBNCZRIQDKNQ-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@@H]1CC12CCCC2	2036103389	CWXRVVBSFTWTSA-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1CC(C2(CNC(C)(C)C)CCC=CCC2)C1	2036175483	LUKYQIRWJVAJSY-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1C[C@H]2CCCC[C@]2(C)C1	2036663395	CSBBVRCOWWQGTH-QBPKDAKJSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C=C1CCC2(CC1)C[C@@H]2CN)CC(C)(C)C	2040470656	BLUQPAUDLYJQMA-KQSHLBLPSA-N	249.442	4.524	0	10	BJAE	
CN[C@H](C[C@@H]1CCC[C@H](C)C1)[C@]1(C)CC=CCC1	2042028315	VTMUZMBMUUFJLJ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@]1(CNC(C)(C)C)CC=CCC1	2042095036	WXRAOYHEQNQGPE-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@]2(C)CC=CCC2)cc1	2042099511	VEHBRJWBCKJYRN-QGZVFWFLSA-N	242.362	4.739	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1N[C@@H](C)c1ccoc1	2042326428	RDXGGTMZAQWJOB-NUEKZKHPSA-N	249.398	4.535	0	10	BJAE	
CC1(C)CC(N[C@H]2CCC3(CCC3)C2)CC1(C)C	2043609750	RJDHMAQQGIKZDF-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
OC1(C2=CCCCC2)CCC2(CCCCC2)CC1	2045667330	COAQTNIEJCFNOB-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C1=CCCC1)C1(C)CCCCCC1	2045820213	YVBMRKWTNLMSMX-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@H]1CC12CCCC2	2047010794	VEZFEMXHBAOCCU-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC2CC2)CCC12CCC2	2047946321	GUSXJKNPMRUEKQ-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1[C@H]2CCCCC[C@H]21	2048381473	FPVLSHSTIXEBHD-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048471865	QCHCOARQKJBETL-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1CC(CC2CC2)C1	2050216816	MTSCUMLECZJAJZ-BHDPWAOGSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC(=O)c2cccc(C)c2)C1	2050455364	DSWWQTWCQBVZAU-HUUCEWRRSA-N	244.378	4.784	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1ccc(F)c(C)c1	2051398289	DYWRORURFZJDMO-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CC[C@@H]3CCC[C@@H]32)CC1	2051599295	NMLBMRZKSPWDHU-VPABYTGTSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CCCC[C@H]2F)c1	2055144680	FLNNWTIUXKADRS-HUUCEWRRSA-N	249.373	4.504	0	10	BJAE	
CC1=C[C@@H](N[C@H](C)C2CCC(C)(C)CC2)CCC1	2055547849	WMMYFPGFRBWFPI-ZBFHGGJFSA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H]1CCC[C@@H]1C(C)C	2056452750	RRRVWPSSTBHWNG-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(C)(C(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	2056535368	BLRDCDRMNGXCBD-JIDKMEAJSA-N	248.410	4.598	0	10	BJAE	
C=CC=CCC[C@@H](NCC)C1(C)CCC(C)CC1	2056558792	KOTWENUJSNPVLV-AQFXKWCLSA-N	249.442	4.703	0	10	BJAE	
C/C=C/CCCNC[C@@H]1C[C@@H]2CCCCCC[C@H]21	2059225855	SCQHNYSZPUYUTE-PZOIYYNUSA-N	249.442	4.539	0	10	BJAE	
CC[C@@](C)(Nc1ccc2ccccc2c1)C(F)F	2059377870	HMSBUIIOTSUWLI-OAHLLOKOSA-N	249.304	4.686	0	10	BJAE	
CCCN[C@H](CC[C@]12CCC[C@H]1C2)CC1CCC1	2061575116	OUPWLIWMSGHXNT-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@](C)(N)CC[C@]23CCC[C@H]2C3)CC1	2061615833	HTRZVVOFVYKXPX-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1CC(=C2CCC2)C1	2061730522	JAANALQXCFMROD-RCFWFJCLSA-N	247.426	4.601	0	10	BJAE	
CCc1ccc([C@@H](O)C(C)(CC)CC)cc1CC	2061870723	NYDPNHHSJGNFTA-MRXNPFEDSA-N	248.410	4.671	0	10	BJAE	
CCCCc1ccc([C@@H](N)C(C)(CC)CC)cc1	2061870985	UPDXAXMOQITDPF-MRXNPFEDSA-N	247.426	4.855	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCCCC23CC3)C1	2062017989	QLNOJKJLNWTBKI-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC(C)NC[C@]1(CCC[C@H]2C[C@@H]2C)CC=CCC1	2062645004	BVXVAEDSGUBMKF-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC2CC3(C2)CC(C)(C)C3)C1	2063211964	VSVNVBTZLSKCGF-JSGCOSHPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1C[C@@H](C[C@@H]2C=CCCC2)CC(C)(C)C1	2063644057	YFPCBWOKHAQPMV-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(F)c(NC2CC(CC(C)(C)C)C2)c1	2067983605	VLURYFVNUYEDFS-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CC(C)(C)CC1CC(N[C@H]2CCCC23CCC3)C1	2067986900	OVPAVOVXSFVCJG-NRXISQOPSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)c1ccc(C)c(C)c1	2068846034	WWFOHHAIBVWAHQ-YOEHRIQHSA-N	247.426	4.636	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H](C)C2CC=CC2)CC1	2070813293	BXBHJEPSLCCFAC-UXLLHSPISA-N	249.442	4.536	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@]23CCC[C@@H]2C3)CC1	2072794016	PNTMAHJZZVBKDA-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CN[C@H]2C=CCC[C@@H]2C)CC1	2072802804	BLGIPSIFKSZZIG-OTBWCIGPSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C[C@]12CCCC[C@@H]1C2	2074023294	BPOJLWVOPFTQBQ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C[C@@]12CCCC[C@@H]1C2	2074027897	DHRFULREFXZLMJ-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@H]1CCCC2(CC2)C1	2074642317	SQHOUCZNTQQVCE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@H]1CCCCC12CC2	2074885875	PJQLLXKEQALZDB-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CCCc1cnn(C2CCC(C(C)(C)C)CC2)c1	2075229749	QMCVWKXUZVDGMI-UHFFFAOYSA-N	248.414	4.613	0	10	BJAE	
CC(C)=C(F)CN[C@H](C)c1c(C)cc(C)cc1C	2076363792	MZVWVAIQLYCLLX-CQSZACIVSA-N	249.373	4.526	0	10	BJAE	
CCCN[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CCC(C)=C(C)C	2076510647	XAIOQKRPDSQSFZ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCN(C[C@@H]1C=CCCCC1)C1CCCCC1	2076586367	OWKNOOLEDBMYKF-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
O=C(CCCC1CC1)[C@H]1C[C@@H]1C1CCCCCC1	2079476914	SDWHDXWECAESCK-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@]1(N)CCCCC12CCC2	2079661618	QFQOYSFSZSUPQJ-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)CC12CCC(CC1)C2	2079865746	PGUVVXXFKOOKNI-PTSUJKEJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1	2082983073	PJTDIVFFRGPNSI-TUVASFSCSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@H](CC)O[C@@H](C)c1cccc(N)c1	2086294966	IARCZFQUEYIKSM-XJKSGUPXSA-N	249.398	4.705	0	10	BJAE	
Cc1ccc2ccn(Cc3cccc(C)c3C)c2c1	2138351415	HQHZANAYIARICL-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CC1(C)C[C@H]1[C@@](C)(N)CCCCCCC1CC1	2213574814	YOEAPFJKEZPBFT-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)CCCCC1CC1	2214559319	ZHKQBIXBHBXRAQ-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
O[C@H]1CCCCCCC[C@H]1CCCCC1CC1	2214570068	QLTKBAWCUAGYAE-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CC(C)(CCC[C@H](N)C1CCCCC1)C1CC1	2214765869	QFYWYMDTAVEXOZ-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H]1CCC(C)(C)CCC1=O	2215323469	DXVXCFKTXVCZLT-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC)CCC(F)(F)CC	2217155466	CLGSBDFQBLELOT-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C1(C2CCC2)CC1	2218718048	JYEXGKNBOHWSHF-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)[C@@]1(C)CC=CCC1	2220931789	GEURCFSHANWVOW-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)c1ccccc1C(C)(C)C	2220959500	KLTMCMDBBIJUTA-STQMWFEESA-N	244.378	4.603	0	10	BJAE	
CCN[C@H](C)c1ccc(C)c(C2CCCCC2)c1	2221807906	QCPUQNIGFZXERW-CQSZACIVSA-N	245.410	4.713	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222971083	GHXLPMFHWHDQFN-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCCN1CCC[C@@H]1C1CC1	2223109741	PCPQFQYXYWVTCE-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CC=C[C@@](N)(CCCCCCCC2CC2)C1	2223122443	LDBSSSNSQLLBMB-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCC(CC)[C@@]1(CNC2CCC2)CC=CC[C@@H]1C	2223597462	RBTZXUKJOPLEQA-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)C(=O)CC1=CCCCC1	2243256088	OPFSPAQJWICERN-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cscc1C(F)F	2244783575	POLGTOLJLYKCCX-QMMMGPOBSA-N	246.322	4.695	0	10	BJAE	
Cc1ccc(O)c(-c2cc3sccc3s2)c1	2246029100	RYCPWMXSODJLFV-UHFFFAOYSA-N	246.356	4.644	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(F)c(C)c1F	2246375436	IGOMCPPMCZKMAK-JTQLQIEISA-N	241.325	4.510	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC2(C)CC(C)C2)CC1	2246445054	AISOLPVJOIYSGX-KNIAUWFNSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCCCC12CC2)C(C)C	2246632313	XCKLBQFUANCIPI-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](O)(CCCC[C@H]1C[C@@H]1C)C1CCC1	2247128094	JTGPTINKQXOGIU-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@](C)(N)CC1CCCC1	2247165920	NUFOVOKOGUKMAO-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H]1CCC1(C)C	2247397162	GTCHHGQIQQHANG-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)c2csc(C3CC3)c2)C1	2248070598	UJUXLYHTTBTLTK-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
Cc1cc([C@H](O)[C@@H](C)C(C)C)cc2ccsc12	2248581000	FVTKMVFTAWPGHD-SMDDNHRTSA-N	248.391	4.535	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1ccc(C2CCC2)s1	2250290446	UBDYGFXRNXRZJB-NWDGAFQWSA-N	248.391	4.635	0	10	BJAE	
CCC[C@@H](C=C(CNCC(C)C)C(C)C)CC	2250369391	YQVGHNUEGJNLBX-HNNXBMFYSA-N	239.447	4.641	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cccc(C(C)C)c1	2250384288	MJJSWNKJLGPORK-BBRMVZONSA-N	233.399	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC[C@@H](O)C1CC1	2250484758	HEJBGPIVHPXCCH-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(O)CCC1(C)C	2250496106	OUYDGPLVVXVNPB-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)CC1(C)CC(C)C1	2253776286	WPBRNZZLIOIVCG-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)C[C@H]1CCCCC12CC2	2253798687	JJESTRRAFUZPLO-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CC1(C)C[C@@H]1C[C@H](N)CC[C@@H]1CCCCC12CC2	2253821482	LTINRFUSENEBQB-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@H]1CCCC12CC2	2255229472	REQMDWVAUCKTQT-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@@H]2CCCC23CC3)[C@H]1N	2255263952	MUNHMXCXOGORPO-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CCOc1ccccc1N	2257262456	LQDYMWCIKVTJOQ-AWEZNQCLSA-N	249.398	4.500	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN[C@@H]1CC12CCCCC2	2257314719	ZMYLVNQIGCUETE-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C=C1[C@H]2CCC[C@@H]1C[C@H](N)C2)CC(C)(C)C	2258030442	YCOYLAWCMHCAOC-KBXIAJHMSA-N	249.442	4.523	0	10	BJAE	
Cc1cc(NC[C@@]23CCCC[C@@H]2CC3)ccc1F	2260619682	KBWLFADFPFJWSM-CJNGLKHVSA-N	247.357	4.516	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](N[C@H]2CCC3(CC3)C2)C1	2261402878	SZUNYZIVJMJUMC-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
Fc1ccccc1C=Cc1ccnc2ccccc12	2295137589	UCCJYAHEKMRSAB-UHFFFAOYSA-N	249.288	4.544	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC[C@@H]2C[C@@H]2C)cc1	2298135022	DDEOXFJTDMTWDO-VNHYZAJKSA-N	232.367	4.625	0	10	BJAE	
CCC(CC)CCC(=O)C[C@@H]1CCC[C@@H]2C[C@H]12	2300687999	IXBLVCUEUNTTCD-SQWLQELKSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@H]1C[C@H](C(C)(C)C)CCN1	2300702860	ZSKUYJVUYXBHEU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@]1(O)CCC[C@H](CC(C)C)C1	2300882474	VNTCFHOLWNMPDZ-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC(=CC[C@@]1(O)CCC[C@H]1C)CCCC(C)C	2300914229	OWFMPIUGHRNBHO-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCC(C)=CCC(=O)C[C@@H](C(F)F)C(C)(C)C	2300922029	VOUIXDWUQUHROS-LBPRGKRZSA-N	246.341	4.619	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1(N)CCCCCCCC1CC1	2301032629	XPSRMQJHWVIPRP-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CC1CCCCCC1	2301132816	FCCUIKMTNLPJGJ-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C(C)(C)C(C)C	2301140755	RQQZRCXTBCGHAW-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1C[C@H]2CCC[C@H]1CC2	2301144525	FHTGBMJVJNCCQQ-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
NC1(CC2CCCCCC2)CCCCCCC1	2301148482	VLXMGOYESZMKIP-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CC1(C)CC[C@@H](O)[C@@H](CC2CCCCCC2)C1	2301240297	YGSVJXVZMGZNFX-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccc(F)cc1NCCC1(C)CC1	2301911470	YKOGYBNKJPPJCE-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
CC[C@@H]1CC[C@@H](c2nc([C@@H]3CC3(C)C)cs2)C1	2302260125	UEMOTEXUCXEHPD-UTUOFQBUSA-N	249.423	4.950	0	10	BJAE	
C[C@]1(C(=O)CCCC2=CCCCC2)C=CCC1	2302340388	JLSJQAOETMTIGV-INIZCTEOSA-N	232.367	4.583	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCCC1=CCCCC1	2302347883	WTZMLZJLNOFYPQ-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
CCc1cscc1N[C@@H]1CCCC2(CCC2)C1	2302883559	XVPKTZYVBDMGPD-CYBMUJFWSA-N	249.423	4.835	0	10	BJAE	
CC[C@](O)(C[C@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303487575	OCUNMGOQNPDTMA-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CC[C@H]1C(C)(C)C	2303493009	UDTKRFPMAWKKCQ-XQLPTFJDSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C[C@H]1CC[C@@H]1C(C)(C)C)NCC	2303511733	QGDCVHACLXIZSF-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCC[C@H](C)C2=O)CC1	2303521774	JRCALZWGHJSDJE-CFVMTHIKSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CCC(C)=C(C)C1)NC	2303594635	JQYQAAIVQUHNBO-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@](N)(CC)[C@H](CC1CC1)C1CC1	2303845182	LXLUDVVOSIAZCB-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
c1sc(C2CCCCC2)nc1[C@H]1CC12CCC2	2304511658	ZYVHBKCAXIYEIC-GFCCVEGCSA-N	247.407	4.848	0	10	BJAE	
CCC[C@H](C)C(=O)c1cc(C)ccc1C(C)C	2307502900	HRAWUZRVSHTFIH-ZDUSSCGKSA-N	232.367	4.737	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H](C)c1ccccc1	2307758126	UCWHQFVDKJVSML-KGLIPLIRSA-N	232.367	4.576	0	10	BJAE	
CCC[C@H](CC)CC1(N)CC(CC(C)(C)C)C1	2307819230	JTYZHQDPPHBSCW-HLIUYOAVSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1C)C[C@H](CC)CCC	2307820532	ZGEPNHPZDHQYQD-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](CC)CC[C@@H]1NC	2307900138	FIAYUJYZBHPNES-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1N[C@H]1CCCC[C@@H]1C1CCCCC1	2308184444	GTNJANSAWWCGLC-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC[C@@H]1CCC[C@@H]2C[C@H]12	2310849224	YEGHXDYNETZQET-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@H]1CC[C@@H]2C[C@@H]21	2310902492	VXBWLDMBNQLWPE-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312869927	FYEIATGONDVVPG-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1ccccc1C(C)(C)C	2316504391	VTZVJYYFGFBARS-MRXNPFEDSA-N	246.394	4.764	0	10	BJAE	
CC(=CCN(C)[C@@H]1CC=CCC1)CCCC(C)C	2316506812	SJQOZHTVZCYARB-QGZVFWFLSA-N	249.442	4.800	0	10	BJAE	
CC1CCC([C@@H](N)CCCC2=CCCCC2)CC1	2318564731	BSEGWUXLZZIWDA-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H](N)CCCC1=CCCCC1	2318592185	GKGWRRXSZDYLJM-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1[C@@H](NC)CC[C@H]1CCCC1=CCCCC1	2318593105	QBKGQRGOSGBMBV-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC23CC(CCN2)C3)CC1	2318775006	WMDXTWDAXIBXNP-OJHJNGDYSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)CCCCC2CC2)CC2(CCC2)C1	2318879850	SQFNFGHNAPDOIZ-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C1=CC[C@@H](C)CC1	2318881615	XBCHKMGNSZSORY-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@@H]2CC23CCCCC3)C1	2319132137	WHSLRTFVJANKFT-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCCC[C@@H]2C[C@@H]21	2319255081	IOJQJRKLPLQTBV-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(NCC[C@H]2CC[C@@H]2C2CC2)c1	2319751766	VCRSOEYGEWJHQG-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCC[C@@H](C)[C@@H]2C)CC1	2320326201	DAMGFIALSPQNQO-XLNGHYISSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CCCCCC[C@@H]2C)CC1	2320389507	AUEAQTANEVTHMX-IRXDYDNUSA-N	249.442	4.778	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1cccc(C(C)C)c1	2320587418	UOYJDTKZUBVXLZ-PBHICJAKSA-N	248.410	4.916	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@H]2CCC[C@H]2C)c1	2327674810	DLLXOAZFSZXHJN-UKPHBRMFSA-N	246.394	4.588	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H]2CCCC[C@@]2(C)O)c1	2327681109	IYCWMQYSYSDRNW-IAGOWNOFSA-N	246.394	4.527	0	10	BJAE	
CCC[C@@H](CC)CN1c2ccccc2CC[C@H]1C	2328101340	IHVGCACGMKVKPE-HUUCEWRRSA-N	245.410	4.654	0	10	BJAE	
CCCC(C)(C)c1ccc(C(C)C)cc1	2564057	BQCZYTGMWBZHAC-UHFFFAOYSA-N	204.357	4.888	0	10	BJAE	
CC[C@@H](Nc1ccc(F)cc1C)c1ccccc1	20021635	BXYOGJBZFGWBIU-OAHLLOKOSA-N	243.325	4.697	0	10	BJAE	
Cc1cc([C@H](C)Nc2ccccc2)c(C)s1	20085431	KPGZABJTINZHIF-NSHDSACASA-N	231.364	4.538	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1ccc(Cl)cc1	20482221	NFKKGAUYCWQJPJ-FZMZJTMJSA-N	239.790	4.556	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1C)c1cccs1	20560770	MBWOWHAPBRSMIT-CYBMUJFWSA-N	245.391	4.928	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)C1CCCC1	36820080	GGPJSGKTJZGDIM-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](C)c1ccc(NCc2ccsc2)cc1	36953415	AKBDCQOOCGMKHT-LBPRGKRZSA-N	245.391	4.874	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCCC[C@@H]1CC	37031248	BCDIGLNIKSTYLZ-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
Cc1ccc([C@@H](Nc2ccccc2)C2CC2)cc1	37186069	LGXRBRODHVBSHB-QGZVFWFLSA-N	237.346	4.558	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)c1ccc(Cl)s1	50401444	LGSUDUODJRMDGJ-NXEZZACHSA-N	245.819	4.631	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cc(C)ccc2C)C1	71106025	BVWYJQBQKKVWAC-HUUCEWRRSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)C2CCCC2)CC1	86909408	RCUBPQOYCUYDCC-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CCC[C@H](CC)C1	87989827	URJNKAXECCOWMY-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C)NCC1CCCCCC1	89559508	ATEQFKXHHXCWDT-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCC(CC)n1cc(-c2ccc(Cl)cc2)cn1	94576230	OWDDUAQKMKFHMP-UHFFFAOYSA-N	248.757	4.565	0	10	BJAE	
CCCN[C@@H](c1ccco1)[C@H]1CCCC[C@@H]1CC	111747358	COUNMDJKHSYONE-OFQRWUPVSA-N	249.398	4.537	0	10	BJAE	
CCC(CC)C[C@H](O)c1cc(Cl)ccc1C	124252559	PVHCHPGPDILKOK-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1cc2ccccc2o1	125281696	JGQRLNSDOOHHPF-GFCCVEGCSA-N	244.334	4.832	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cc2cc(C)ccc2o1	135620277	ROOCFOXFSXGOHD-NSHDSACASA-N	244.334	4.750	0	10	BJAE	
C/C(=C\Br)c1ccc2ccccc2c1	136900065	GZYJOVXXBJCTBD-MDZDMXLPSA-N	247.135	4.596	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CC1=CCCCC1	161230495	STBYAXFZHCKVOJ-HOCLYGCPSA-N	237.431	4.811	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCC[C@@H](C2CC2)C1	227867321	KTAXNCWTQNNXGN-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](c1cccc(CC)c1)C(CC)CC	228859504	ZTGAJTKZWLHQNT-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@@H](CC)c1ccccc1	229158707	OFKGPBOCDMAKQN-IRXDYDNUSA-N	247.426	4.595	0	10	BJAE	
CCCC1CCC(N[C@H](C)CC2CCC2)CC1	229693538	AVGCXJAPSYLHAQ-VQCLRJIVSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](NC)c1scc(C)c1Cl	232976205	SXXQOKGBSWHJKF-SNVBAGLBSA-N	245.819	4.551	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)C(CC)(CC)c1ccccc1	233281163	SRZXMMPIQNTWNP-GDBMZVCRSA-N	248.410	4.542	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1ccccc1C(C)(C)C	233350379	DKMXCXIVSRNGFU-XJKSGUPXSA-N	247.426	4.681	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@@H](C1CCCCCC1)CN2	235983595	MRPVLQGMDOLDLG-MRXNPFEDSA-N	243.394	4.783	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1CCCC[C@H]1C	250835542	USXIYSQLBKVCIH-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@H](C)CNC(C)C	251427516	ZUUSXQFKVLTNGM-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cc(C)oc1C	252404048	CEGKUAGQNWHGPC-XNRPHZJLSA-N	249.398	4.516	0	10	BJAE	
Cc1c(Cl)n(C(C)C)c2cccc(Cl)c12	257912985	JCNQGEMRCLZVBJ-UHFFFAOYSA-N	242.149	4.837	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@@H]1CCC[C@H](C)C1	300664380	PQOBENXJSCEITC-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCC1CCCC1	300813043	XTLJRTYACHNOMM-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)C(=O)CCCC(C)(C)C	300889865	HJSAEKVKHJKMPM-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)CC1CCCCCC1	302292112	GLCCTQIXEFAJOW-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C(=O)CCC1CCCCC1)c1ccccc1	306024024	YVNDQGOADDJILJ-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
CCc1cc(Cl)cc2cc(SC)sc12	306610375	KXONNFXBYPVEJX-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCC(CCC)[C@H](CC1(CC)CCC1)NC	310171917	UFCHUVPOFTXOFH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C)CCCC1CCC(C)(C)CC1	310556601	YPKALWNRYRNXKH-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(OC[C@@H](C)C2CCCCC2)c1C	310931936	CINLXOISNSZHNM-CQSZACIVSA-N	246.394	4.899	0	10	BJAE	
CC(C)(C)CCCNCCCC1CCCCC1	313250128	BLJWKKGJKNHFMH-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCNCC1(C(CC)CC)CCC(C)(C)CC1	317152749	QHHHXKIOIXHVJN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CC[C@](CNC(C)(C)C)([C@H]2C=CCCC2)C1	317766227	BXXNWIGWXKUVOF-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)C)cc1)[C@H]1C[C@@H]1C	321518764	NUJWWWCYQRBJLP-RCBQFDQVSA-N	231.383	4.657	0	10	BJAE	
CCCC[C@@H](N[C@H](CC)C1CC1)c1ccccc1	323793734	DTYAGDPYOXJACA-IAGOWNOFSA-N	245.410	4.696	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2sc(-c3ccccc3)nc21	379714571	INIVEJPCFVCIKQ-WDEREUQCSA-N	243.375	4.811	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)CC1(CC)CCC1	381291686	XMQAPBJKRMRLCG-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCCNC[C@@H](CCCCCC(C)C)C(C)C	383207079	BFEANSRRPBEHHS-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CC[C@](C)(CCCCCC(C)C)CNC1CC1	383217326	DLUDIBXYXXVCBN-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC1(CN[C@@H]2CC23CCCCC3)CCCCCC1	394578322	WJGMYWKEFNPIAM-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCC1(C[C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CCC1	395167707	PLPCPGYUURYAGD-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
CCOc1sc2cc(Cl)ccc2c1CC	396191326	PDNOZUCGNCNPMS-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CSc1c(C(F)F)sc2cccc(F)c12	396244381	NJURYNCKEVHNBU-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1ccc2sc(C)cc2c1C(F)F	396408392	OZIJQAFIALPSLW-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@H]1CC=CCC1	402231597	YAODWHPXCNFLFZ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](C)Nc1nsc2ccccc12	687793515	VQSAQANPZXCRBU-QWRGUYRKSA-N	248.395	4.533	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)C1(CC)CC1	688357124	GRRAOKHSDHQONF-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](CCCC1CCC1)NC	688399106	REBNFRNWSSEPRJ-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
c1ccc(-c2cccc(NCCC3CC3)c2)cc1	689687346	FQNYFAGUYYTAPP-UHFFFAOYSA-N	237.346	4.566	0	10	BJAE	
CC1(C)CCCC[C@H]1Nc1cccc(C2CC2)c1	690075954	MBRTZFLHDJFEJS-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CCc1cc(N[C@H]2CCC[C@@H](C)CC2)ccc1F	690102765	PWWMTYFFCCCASZ-OCCSQVGLSA-N	249.373	4.769	0	10	BJAE	
N[C@H](C[C@H]1CC2CCC1CC2)C1CCCCCC1	691778523	QDGXJSOVBPMFFR-GMGZGELVSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cc2cc(C)ccc2o1	696561872	PNGKKEQDNXBPBE-CYBMUJFWSA-N	246.350	4.601	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)c1cscc1C	696651560	JYQYVIYGSFOXEU-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCC(C)(C)CC[C@@H](CNC1CC1)C(C)(C)C	696678269	MWEJSFMWXUQPEF-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H]1CCCC[C@]1(C)O)C1CCCCC1	699659955	KCBGMNKLGUFVHC-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)C(C)(CC)CC	701097947	ZWZCGEMWABDWEQ-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@@H]([C@H](C)c1ccccc1)C(C)(C)CC	701150111	GHTZFLPURFKQLE-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
CCC(C)(C)[C@H](NC)C1(CC(C)C)CCCC1	701182218	HHHLMLYLGBOMTJ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(C)(C)[C@@H]1CC[C@@H](C)CC1=O	701320245	ZTJWMRJDZSFOHC-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@H](C)CC(C)(C)C	704684990	MJHBQLKXAWXKIH-CJNGLKHVSA-N	248.410	4.916	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)c1ccccc1C1CCC1	708271257	VBNOMCZTBVOCMJ-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@H](C)CC(C)C	708299584	ZJBSRQCQOLOKEC-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](NC[C@@H](C)CC(C)(C)C)C1CCCC1	709078002	UMJQMOPQQIIJJY-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(OC[C@H](C)CC(C)(C)C)cc1C	709103885	BJGVJZSHACMGPF-GFCCVEGCSA-N	234.383	4.755	0	10	BJAE	
Cc1ccccc1[C@](C)(N)C[C@@H](C)CC(C)(C)C	709139203	BQOZBWNXIQZQIT-SUMWQHHRSA-N	247.426	4.631	0	10	BJAE	
CCN[C@H](C1CCCCCC1)C12CCC(CC1)C2	710982642	WXQWXUBPVYDKLA-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CC[C@@H]3CCCC[C@@H]3N2)C1	712298684	HIOMQOFRUGDPBJ-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
C=C/C=C\CCC(=O)C[C@H](CC)C(C)(C)C	713684192	NFJLEMBNWYCNHY-YXVBKTCISA-N	222.372	4.540	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)c1ccccc1Cl	713710199	NIQIVKWWTFILSF-YVACAVLKSA-N	249.785	4.513	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CCC[C@@H]2CCCC[C@H]21	714296525	AQQYKHZMHOPILR-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCC(C)=C(C)C	718757929	QOSSMRWYBKWHSW-CQSZACIVSA-N	226.404	4.700	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H](C)[C@H](C)CC	720941852	XZCIJWOQXGODOV-IJEWVQPXSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@@H]1CC1(C)C	722631327	RDKDRFORGBFCSR-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCCCN1C[C@@H](C)CC(C)(C)C	1653382380	UIBDUIBUKOUOJQ-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC[C@H]1CCCC(C)(C)C1	1656617790	MFKAEQYEYJCRHY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@]2(CCN2CCC2CCCCC2)CC1	1876338542	VKOSOIGMCYSIHX-WOVMCDHWSA-N	249.442	4.611	0	10	BJAE	
Cc1cc2sccc2c(-c2csc(C)c2)n1	1901902367	VKIWZWVFYZDSAD-UHFFFAOYSA-N	245.372	4.642	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)C(CC)CC	1905433447	GSJVVYMUSQNJQK-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C[C@H](C)CC)NCC	1905435323	QCPIIPGLOLMUDW-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@]3(C)C[C@@H]23)cc1Cl	1908784704	FALXVHQKVMHQKF-CFVMTHIKSA-N	249.785	4.503	0	10	BJAE	
Cc1scc(C(=O)C[C@@]23CCCC[C@@H]2C3)c1C	1909921380	SHBSSKQVLYUYES-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
CCCCCC[C@](C)(O)CC[C@H]1CC1(C)C	1921547399	XAXTWAIZBVUDFG-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](N)CC1(C)CCCCC1	1924089612	QGADWKYQGCQDNH-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H](C)C1CCCCC1	1924101279	QTLZUPZVRGELBI-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)C[C@H]1CC=CCC1	1925145657	OPUDIUQZNIRXQD-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
COc1cc(C)cc(C)c1C[C@H]1C=CCCCC1	1925842901	FWUGRYCJUSDIDW-HNNXBMFYSA-N	244.378	4.601	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CC1(C)CCCCC1	1935623702	UMCYTEWGVRSJTB-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1sccc1CC	1938204495	FTVJCCKKNMKSBL-WCQYABFASA-N	239.428	4.527	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC[C@@H]1CC1(C)C	1940855690	INYFMOCBEQPJSU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]([C@@H](CC(C)C)C(C)C)C(C)(C)CC	1941263361	AZYWRRYIJXPRDA-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCC1CCC(O)(CCCCCC2CC2)CC1	1941576317	SIKLLYIFRHAZCM-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC[C@H](C)[C@](N)(CCC(C)C)C1CC1	1942661402	WBLLMRPJURISIG-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CNC)CCCC1(C)C	1944476215	VELFTOKZRKMSJN-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(N[C@H](C)[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)cs1	1944700492	CZPZWVYHOOLKLT-MHDGFBEUSA-N	249.423	4.539	0	10	BJAE	
CC1(C)CC[C@@H](c2nc3cccc(Cl)c3[nH]2)C1	1945586461	WXRORODMWXZMSA-SECBINFHSA-N	248.757	4.510	0	10	BJAE	
CC(C)CC[C@](C)(N)c1csc2ccccc12	1945616206	LQKJCSOVZKMWMO-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCC[C@@H]1CCC	1947460646	HAHKBFIAFOBWEC-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC(F)(F)CC[C@@](C)(CC)CNC(C)(C)C	1947888016	DMQOEYGYUNILPB-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)C[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948596845	SUSLNAXFXMDAPJ-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CC(C)(C)CC[C@H]1C	1949047706	WEXBIXZBIUFWFM-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@@H](N)CC1(C)CCCCC1	1949066698	MRIMXFZIODGVHM-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCC[C@H](C(C)C)CC1	1949088684	ZRLRAWJSGLVHLU-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CCC(C)(C)C(=O)C2)C1	1949655094	AYKWXJOOKYNFGP-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H]1C[C@@H](CC(C)(C)CC)CCC1(C)C	1949662238	OEIZYOXPIALMFJ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)(C)[C@@H](O)C1	1949678492	LWECEWBJURUQGH-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CC1(C)C[C@H]1CCCC[C@H](O)CC1CCCC1	1949869763	KEDDLBQRZWJOMQ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
Cc1c(F)cccc1NC1C[C@@H]2CCCC[C@H]2C1	1968648938	RPNCPSKODZEHAA-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)CC(=O)c1ccc(Cl)cc1	1980685457	RPIFJQOKFRKHFV-QWRGUYRKSA-N	238.758	4.595	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)c2cccs2)C1	1980686926	HWSFGPAQRTUMOR-NWDGAFQWSA-N	236.380	4.537	0	10	BJAE	
CCCC[C@@H](CCC)NC1CC(C)(CC)C1	1984404006	VSRNIPFJHOJWDE-WLYUNCDWSA-N	225.420	4.514	0	10	BJAE	
C/C=C/CCCCc1cc(Cl)ccc1OC	1984605264	GVBVHAFTSDWYCW-ONEGZZNKSA-N	238.758	4.638	0	10	BJAE	
F[C@H]1CC[C@H](CCC2CC(=C3CCC3)C2)C1	1985534705	MHYUDLOMNWWDOO-NHYWBVRUSA-N	222.347	4.795	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H](C)C(C)C)c1Cl	1988299805	MQWXZAKZCOLTNM-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
CC(C)C1(CCC(=O)c2cccs2)CCC1	1989450142	VQZSYXVHHSSHQU-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1CCCC[C@@H]1C	1990094875	XZSVQBNMNXCLLN-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@@H](C)CC(C)C	1990761171	QQZGYBVFZIVVLY-LSDHHAIUSA-N	227.436	4.569	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(N)C1(C)CCCCC1	1995987643	KOWDDANGONTMPT-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](Nc1ccccc1SC1CC1)C1CCC1	1996538015	NHVUHJGPGDVWMO-LLVKDONJSA-N	247.407	4.542	0	10	BJAE	
CC1(C)Cc2[nH]c3c(Cl)cccc3c2C1(C)C	1997766054	MCEWRMJQTHJYOM-UHFFFAOYSA-N	247.769	4.681	0	10	BJAE	
CN[C@H]1CCCCCCCC[C@H]1CC=C(C)C	2004228273	OUCDWSYBJINDPF-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
C[C@H](C[C@]1(CN)CCCCC1(C)C)C(C)(C)C	2005588425	DXQKQUHUGXTKFO-CJNGLKHVSA-N	239.447	4.604	0	10	BJAE	
CCC1CC(CC(=O)[C@H](CC(C)C)C(C)C)C1	2007765310	HJJFVJIMOCXGFX-YMAMQOFZSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)CC1CC(CC)C1	2007812266	KSQZTPHNGWIYEC-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](CCC)CC[C@H]1NC	2009619001	HPQSOZGBDCGOTL-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)C1=CCC(C)(C)CC1	2010722788	QVGDQVJIOPZGMV-UKRRQHHQSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@](O)(CC)c1sc2ccccc2c1C	2014291700	IHQHJSXLTIOVGT-HNNXBMFYSA-N	248.391	4.607	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C[C@@H](C)C(C)C	2015275697	RWFHJAHHHMTNDO-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NCCC(C(C)C)C(C)C)cc1	2015346161	BHPCMUQHHWMSDR-UHFFFAOYSA-N	233.399	4.725	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@@H]1CC(C)C	2016144102	IIJMHKPEBJKQPL-ARFHVFGLSA-N	237.431	4.536	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1(C(C)(C)C)CCC1	2017133925	ZOBIUJMSHVYLEW-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
CCCc1ccccc1N[C@H](C)C(C)(C)CC	2017746640	NAISFLJDIGPLQB-CYBMUJFWSA-N	233.399	4.876	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1C[C@@H]1C(C)(C)C	2018141501	PKIKFYBRSIUCLG-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)CC1(CCC)CC1	2018997716	ZCPKVTYHPZKWLT-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CCCN(CCCCCC(C)C)C1	2019342716	QQWYBTMFOPQWTC-INIZCTEOSA-N	239.447	4.715	0	10	BJAE	
CC(C)[C@H](C)N(C)C1CC(C)(C)CC(C)(C)C1	2019382530	QFJQJAWUEDNKKZ-ZDUSSCGKSA-N	239.447	4.568	0	10	BJAE	
CCCC1CCC(O)(C[C@H]2C[C@H]2CCC)CC1	2022448670	PVSXEYKIZDUFIO-LVDPKSTMSA-N	238.415	4.534	0	10	BJAE	
CCCCC(=O)C[C@H]1C[C@H]1C1CCCCCC1	2022553075	CONQMNOTWRNFAS-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2C=CCCCC2)C1	2024125138	QIXWOICIWCMNMP-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
Cc1cc(F)c(F)c(C[C@H]2C=CCCCC2)c1	2024716369	VDLROXTTXOVKEV-LBPRGKRZSA-N	236.305	4.562	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@H]1CC=CCC1	2026167058	OMLUAKVANFDAEV-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)[C@@H]1CCC(C)(C)C1	2026171624	WOSNFLDYXORUMQ-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CC(C)Cc1coc2cc3c(cc12)CCCC3	2026531625	PHELIRNHLICDAV-UHFFFAOYSA-N	228.335	4.510	0	10	BJAE	
CC1(Cc2csc(C3(C)CCCCC3)n2)CC1	2026537217	BJNCFJCCYZTFAH-UHFFFAOYSA-N	249.423	4.708	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](C)N[C@H](C)c1ccccc1	2027109771	ODMUZKLZCGSZKC-HUUCEWRRSA-N	247.426	4.654	0	10	BJAE	
CCCC[C@@H](C)[C@@H](C=Cc1ccccc1)NCC	2028583365	JQWOQXWJLQFPOE-NVXWUHKLSA-N	245.410	4.504	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C(=O)CCCC1CCC1	2029596658	DZKQLZDIANEUSI-OFQRWUPVSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)c(C)c1	2034264040	PGBFQKWOYHFQLY-ZMSDIMECSA-N	243.394	4.684	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC[C@H]2CC[C@H]1C2	2035045495	AVJTXYKIFAGMLZ-KBMXLJTQSA-N	243.394	4.548	0	10	BJAE	
C1CCCCC(NC[C@@H]2CC[C@H]3C[C@@H]32)CCCC1	2035888269	SATMCOXGPSNDPF-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)c1cccc(C2CC2)c1	2036352138	KVMFFJWADLSSKO-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
C1CCC(CCCNC2CC3(CCCC3)C2)CC1	2036541940	JKPBWXMMSNYOAV-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1C[C@H]2CCCC[C@]2(C)C1	2036667969	UMMNRVUUOQCRFH-PNBKFKSVSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](N)(C2=CCCCCC2)C1	2037100883	KFHAPUPDCXFPPM-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(-c2ccc(C(C)C)cc2)cc1C=O	2037285708	XFRVYRKAEDXOID-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037593766	QFCDPEXUKMSRRQ-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@@]2(CNC(C)(C)C)C=CCC2)C1	2037694735	OKSQAYVEAJRNIZ-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC=CCC1)CC1CCCC1	2038107793	LWGXAUYGEGPHTG-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@H]1CCC2(CC2)C1	2038569918	ZSRIZVRVETVCLO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C=C2CCC[C@@H](CCN)C2)C1	2038876824	PHQYTYZFCABEDE-QSJFSLAZSA-N	249.442	4.524	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC23CCC(CC2)C3)C1	2039353376	FRSSNMHBYACXAS-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1CC=CC1)[C@H]1CCCC(C)(C)CC1	2039382501	ALDVTDITTCQARV-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)CC12CCC(CC1)C2	2039420771	NJPANKYQKGNJMC-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC(C(=O)CC[C@H]3CC3(C)C)C2)C1	2039424433	PQSDMYNMLFRLDG-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)C12CCC(CC1)C2	2039864022	FUUIKSVBPTZTOO-VEAWUBTESA-N	247.357	4.515	0	10	BJAE	
CC[C@@](N)(C[C@H]1C=CCCCC1)C1CCCCC1	2040655012	YZFRSADZNBYZQG-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
C[C@H](C[C@]1(N)CCCC2(CCCCC2)C1)C1CC1	2040767642	VEKQMDYVVSUOJL-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@](N)(C1=CCCCCCC1)C1CC2(CCC2)C1	2043482027	HFVCSVIWRUANSN-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1CCC2(CCC2)C1	2043617166	YRZJPBNSJNXUON-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@H]1CC12CCCC2	2045307100	GVEUVNRSVNQVAL-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@H]2CCC=CCCC2)C1	2045312283	NIXPRZZJRPNCIN-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2CCC=CCCC2)C1	2045313079	URYOFBPMOCGQAX-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC=CCCC1)C1CCC1	2045315708	XBACZJZFNYDHHP-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCc1cccc(NC[C@H]2CCC=CCCC2)c1	2045328718	HOCPCDLTQCZSBG-INIZCTEOSA-N	243.394	4.797	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C[C@H]1CC=CCC1	2045818460	NINFBNBAZCCKJB-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C1CCCCN(C[C@@H]2CC23CCCCC3)CCC1	2047023087	JPTMYLDBKSNBCZ-INIZCTEOSA-N	249.442	4.613	0	10	BJAE	
c1ccc2c(c1)ccn2C[C@H]1CC12CCCCC2	2047066935	ZWWUZHHWFUKYLX-OAHLLOKOSA-N	239.362	4.612	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048436708	WDIUKJWTXJEWHD-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCCC1CC([C@@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049862881	XCLXXJGSBHUBJJ-GRAKBVBRSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(N)(CC[C@@H]2C[C@@H]2C2CC2)CC1	2051613058	NYCJEGCPWZIPSL-NUWOQIAWSA-N	249.442	4.501	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@@H]3CC[C@@H]32)CCCCCC1	2052307893	KCAAJDHMLKAOSW-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H]1CCCCC12CCC2	2056776847	OBHYRBWONBXQIU-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCc1ccccc1NC[C@H](F)C1CCCCC1	2058029054	CSIXRTMRXMDWSB-HNNXBMFYSA-N	249.373	4.579	0	10	BJAE	
CC1(CC[C@H](N)[C@@H]2C[C@H]3CCCCCC[C@H]32)CC1	2059177434	JMDVZDZNPAUJMJ-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@](O)(CC)c1ccc(CC)cc1	2059223501	NSSQFFPSHRMKDX-PFWMLDTASA-N	246.394	4.593	0	10	BJAE	
CCCC[C@@]1(C[C@H]2CC3CCC2CC3)CCCN1	2059464829	SXFLQCBNTHMMHI-BACDZXNISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C2=CCC(C)(C)CC2)CC1	2061112461	GJXAHIOVMOQXPK-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC[C@@](N)(CC1CC1)C1=CC[C@H](C(C)(C)C)CC1	2061113094	LNNBZMMGLJHXJW-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(N)CC2CCCCC2)CC1	2061114152	VZNAFLXWIHNOIG-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC[C@](N)(C1=CC[C@@H](C(C)C)CC1)[C@H]1CC1(C)C	2061122365	ODTQOWOLEXBBEX-KMFMINBZSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@@H]1CCCCCCC[C@@H]1NCCC	2061564323	YJVCBGIYFLZKSW-SJORKVTESA-N	249.442	4.836	0	10	BJAE	
O=C(CCC[C@@]12CCC[C@@H]1C2)CC1CCCCC1	2061598135	WXZJJXWVUJOQQL-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@@H](CC1CC(=C2CC2)C1)[C@@H](C)CCC	2061726717	SYDZJYBJLGILGH-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCC1CC(=C2CCC2)C1)C(C)(C)C	2061728727	NSYWHLCPQGLRSH-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)C1CC(=C2CCC2)C1	2061733612	FVHGFOPPXHNPAG-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@](C)(CNC(C)C)CC1CC(=C2CCC2)C1	2061738943	IPTSEBAPMPXKCS-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCCCCC23CC3)[C@@H]1C	2062016042	CZIBTMICGPMJPW-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1N[C@H]1CCCCCC12CC2	2062017456	OSRIWOIMAQTJAE-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CCC(=CC1CCC2(CC1)CC2)CNCC(C)C	2062826247	UDQISZNRAUKQHM-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H]1C[C@H](CC2=CCCC2)CC(C)(C)C1	2063643848	WWRIKBPJVRBGDJ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC([C@@H](N)CC23CCC(CC2)CC3)C1	2065302014	CMCWYDPPFBKQNF-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1([C@H](O)c2cccc(C(C)C)c2)CC1	2069521857	QKEFCOYREJOQPB-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](CC1(C(C)C)CCC1)[C@@H]1C=CCCC1	2071938429	NKCKSOLSPZYCPK-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(N)CCCC23CCCC3)CC1	2072795344	CQCHVHOTNYSIHW-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCCC1CCC(C[C@]2(CNC)C=CCC2)CC1	2072798518	KCTHGNYGLQTNRR-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@@](O)(CC)c1ccccc1CCC	2073344515	DAOJJCSSNQHCEB-KRWDZBQOSA-N	248.410	4.817	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@]12CCCC[C@@H]1C2	2074033169	JOBSNOVAJCPGMD-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@](C)(O)c2ccc(C(C)C)cc2)CC1	2074619473	RGODJQLKQUGFLJ-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CCC1(C[C@@]2(N)CCCCC23CCCCC3)CC1	2074628966	KEICTHABXZVGHA-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC12CCC2)CC1(CC)CC1	2074653134	KXWALXNHGIGAKE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H]([C@@H]2C=CCCCC2)C1	2075407879	KSLGZNFCIMYMPV-KFWWJZLASA-N	248.410	4.764	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2077195795	IURNITMCYFMVDL-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCN(C[C@@H]1C=CCCCC1)[C@@H]1CCCC1(C)C	2078715883	CWFOYXQYBILPMX-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CCC1CCC(C=C[C@]2(C)CNC(C)(C)C2)CC1	2078850508	QOTCOOYVPYYKAR-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2C[C@H]2C2CCCC2)C1	2079493779	ZSVWUOQJGSZDPD-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2C[C@@H]2C2CCCC2)CCC1	2079837985	DVBNVILMZZUEFD-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CCCCCC(=O)c1cc(C(C)C)ccc1OC	2083506683	QDJOXVUWWZSEOS-UHFFFAOYSA-N	248.366	4.582	0	10	BJAE	
CCCCC[C@@H](CC1C2(CC2)C12CC2)NCCC	2083569471	MMEOMOXDHNZWCZ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CCCNC23CCCC3)C1	2083809203	PENKYQBIGOOSGV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC=C(CC)c1cc(F)ccc1[C@H](C)NCCC	2084708643	BYXLNLFGUUODQT-LBPRGKRZSA-N	249.373	4.700	0	10	BJAE	
CCC1CC(CC(=O)CC2[C@@H]3CCCCC[C@@H]23)C1	2084995003	PSOLURCPBMZPHH-BCAXMMLOSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCCCCC(=O)CCCC(F)F	2212197651	HHDTWHCXYYYLQI-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CCCC[C@H](O)CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213294414	MDCIHYQXZQMXDC-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@](O)(CCCCCCC2CC2)C1	2213581584	YLAVQGVKXONHJE-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@@H](C)C(C)(C)C	2214578882	KAJDMVCSGGVNSB-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2CC[C@@H]2C)cc1	2215117462	OGGJMCWTKIBZRS-KCQAQPDRSA-N	232.367	4.625	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)C[C@@H](C)C(C)(C)C)CC1	2215818668	WXACTUZILGVCOE-YCPHGPKFSA-N	237.431	4.523	0	10	BJAE	
CCCC(=O)CC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216737618	LKQZNBJYMIFXEQ-RRFJBIMHSA-N	236.399	4.742	0	10	BJAE	
CC[C@@](O)(CCCCCCCC1CC1)C(C)C	2216864608	UUFKNUKTUAPWHG-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1CCC[C@H](NC2CCC(C3CC3)CC2)CC1	2218897002	PIDSBUGMARMOGQ-PXZKZTPFSA-N	249.442	4.514	0	10	BJAE	
N[C@]1(CCCCC2CC2)CCC[C@H]2CCCC[C@H]21	2220028784	WCSLEDOEQUUKHF-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC1([C@@H](N)C2=CCCCCCC2)CC2(CCC2)C1	2221002906	SCAFFHPCYWRCRB-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC(C)(C[C@H]2CNC3(CCCCC3)C2)C1	2221037900	XSIAEVNWGIHMOA-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@@]1(C)CC=C(C)CC1	2221618829	LLJPRPSXNORJAY-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@@]1(C)CC=C(C)CC1	2221631402	NBIFHAAAWZMMPX-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@@H](C(C)(C)C)C1)c1ccco1	2222254940	DLPHPRXXZJQVLR-MJBXVCDLSA-N	249.398	4.535	0	10	BJAE	
CC1(C)CC(CNC2CCC2)(C2CCCCC2)C1	2223546697	LAQKMXSRXFVSPW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@H](C)c1ccc(C)cc1	2223963640	KPJYUVAJIJXXLD-ZMSDIMECSA-N	247.426	4.513	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1cccc2ccoc12	2224182850	YHSQOVIGFXDXIU-IUODEOHRSA-N	245.366	4.520	0	10	BJAE	
Cc1ccc(NC2CCC=CCC2)cc1Cl	2244136064	JFVUFGUODYVKTO-UHFFFAOYSA-N	235.758	4.559	0	10	BJAE	
CCCCCC[C@@H](CC1(C)CC(C)C1)NCC	2246454664	QJLXXAUFUFJTJL-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
Cc1sc(C(=O)[C@]2(C)C=CCCC2)c(C)c1C	2246817107	XKGDVPLLKUZMQH-OAHLLOKOSA-N	248.391	4.602	0	10	BJAE	
CCC(CC)(CC)CNCCCC[C@H]1C[C@@H]1C	2247092040	MZLJCHHZPVBSKN-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC[C@](O)(CCCC[C@@H]1C[C@H]1C)CCC(C)C	2247125731	AOWULMYNUIPCBA-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCCC1([C@H](N)CCCC[C@H]2C[C@H]2C)CCC1	2247148475	JMIPVQSHAUZPCD-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2CCC2(C)C)cc1	2247446341	IFCSVNYAWJAETK-AWEZNQCLSA-N	232.367	4.625	0	10	BJAE	
CCCC(CCC)NCC[C@H]1CCCC12CC2	2247603574	VHVBQZBATXMWDR-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CCNCCCCC[C@H]1C[C@H]1C	2248867072	SWCAPCBEFMCFDD-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC1(C(C)(C)C)CCC1	2250373112	SOBJRGRSCXPFNR-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](NCC[C@@H](C)CCCC(C)C)C(C)C	2250490189	GNBZHFKQWYJHHP-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(O)[C@H]1C[C@@H]1C	2250494672	XCBZAJZGPJYTQZ-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C=CC[C@@H](C)CCCC(C)C)CN	2250514494	PUZOEGMGKYDIFF-JKSUJKDBSA-N	239.447	4.770	0	10	BJAE	
Cc1cc(C(=O)C[C@@]23CCC[C@@H]2CC3)sc1C	2251198621	XBNLDCGHEFJQTE-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@]12CCCC[C@@H]1CC2	2251225680	WSWWDARUHIXUDX-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(-c2nc([C@@H]3C[C@@H]3C)c(C)s2)c1	2252741949	BPXPRTLLQIIEJR-GXFFZTMASA-N	243.375	4.550	0	10	BJAE	
CC[C@@](N)(CC[C@@H]1CCCCC12CC2)C1CCC1	2253855860	PJCWXGZMQCXBDO-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2=C[C@H](N)CC(C)(C)C2)C1	2253923191	PZTTYXHZSHKXKD-FMKPAKJESA-N	249.442	4.667	0	10	BJAE	
N[C@H](CCC1CC2(CCCC2)C1)C1CCCCC1	2254079844	USMDNVSBKXQIMD-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCCCC1CC(NCC2CC3(CCCC3)C2)C1	2254080260	YFPWRTPROXMCGZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CCCC[C@H]1C[C@H]1C)[C@@H](O)c1ccccc1	2254590717	DLVQAQYDRVYHGD-HDEZJCGLSA-N	246.394	4.573	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1(N)CCC(C2CC2)CC1	2254591146	LNEVWCVOCSYLJQ-MHABSNSOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)C[C@H]1CCCCC12CC2	2254945835	OYFMGMVMGPYNIC-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1(C(=O)C[C@H]2CCC2(C)C)CCC2(CC2)CC1	2255018651	PUUCGKBEOSCHJR-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC[C@@H](N)c1ccccc1	2257245088	HKQBJTDDMOHBSZ-HYVNUMGLSA-N	245.410	4.683	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@@H](C)c1cccc(N)c1	2257323122	MOLPYUNBVZWCIM-ILXRZTDVSA-N	245.410	4.979	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@@]12CCCC[C@@H]1CC2	2260501865	QDHUHTNDGJKXFU-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CC(NC[C@]23CCCC[C@@H]2CC3)C1	2260617509	UQENJNFHOYMJBT-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@]23CCCC[C@H]2CC3)[C@@H]1C	2260645927	KHALMFPPIBGEAZ-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C(CNc2cccc(C3CCCC3)c2)[C@@H]1C	2260663915	UIMKTWROBALMJK-CHWSQXEVSA-N	243.394	4.658	0	10	BJAE	
CC1(C)CCC(C)(C)c2c1[nH]c1ccc(F)cc21	2261372036	YKDQEUPEOASRKC-UHFFFAOYSA-N	245.341	4.656	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1ccc(F)cc1F	2298842120	QUIIIHWFXUXYND-NSHDSACASA-N	241.325	4.592	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H](C)CC1CCC1	2298852294	RQQYJMXQPLEEHT-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CC=C(C)CC)CNCC(C)C	2300859904	AHJOSNGJSCVGID-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CCCCCC(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301140865	SPNTXFKWIYTMEI-SOUVJXGZSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1c1nc(CC2CCC2)cs1	2302262754	ORVYFSIZFMTACM-RISCZKNCSA-N	249.423	4.779	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCCC1=CCCCC1	2302349994	WTZMLZJLNOFYPQ-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
O=C(CCCC1=CCCCC1)C1CCCCC1	2302353311	DNXWCSVTNGPLSX-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCC[C@H](CNC(C)C)C[C@H]1CCC(C)(C)C1	2302710943	UWQPSKIDNXQWJI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1CCC(C)(C)C1	2302895196	GJULVVABCPMSEH-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCCCCN(C)C[C@@H]1CC[C@@H]1C(C)(C)C	2303479861	DVLDDLRWVWLKLM-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CC1=C(C)C[C@@](CN)(C[C@@H](C)CC(C)C)CC1	2303574872	DLIBRSMDCXGKLE-BBRMVZONSA-N	237.431	4.524	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC[C@@H]2CCC(C)(C)C2)C1	2304421442	YBTYRBJYNJAOJZ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)CC1CCCCCC1	2307832331	SBFREYYDFGGZKY-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCNC[C@@](C)(C[C@H](CC)CCC)C(C)C	2307842145	HWZFAMZDXSHAEA-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@H](N)C[C@H]1CC[C@H](C)CC1	2311020732	JMSFORJJQLKGBD-NHMWIVBRSA-N	249.442	4.523	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1C[C@@H]2CC[C@H]1C2	2312945182	WNGIGVFVLASGFE-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CCCC1([C@H](N)C(CC2CC2)CC2CC2)CCC1	2313584146	NPSSCKXTLOORAG-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@H]1C[C@H]2CC[C@H]1C2)CCCC(C)C	2316489969	IDKRNSKTLWLTSL-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)c1c(C)coc1C	2316540278	SQAAOWAUFSKTBB-OAHLLOKOSA-N	249.398	4.684	0	10	BJAE	
C[C@@H](N[C@H]1C[C@H]2CCC[C@H]1CC2)C1(C)CCCC1	2316947653	UBBQAHOGCBVFLT-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1[C@H](C(=O)[C@@]23CCCC[C@@H]2CCC3)CC1(C)C	2318284409	HIKNYALIXGHDBE-VMUDFCTBSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCC1=CCCCC1)CC1C[C@H]2C[C@@H]2C1	2318513731	YYVGTPMSINTUND-HOTGVXAUSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC(CCCC2=CCCCC2)=C[C@@H](N)C1	2318595593	RECCMAOWJAFMES-MRXNPFEDSA-N	247.426	4.731	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCCC[C@@H]3C[C@@H]32)CC1	2319230463	CXTJLFLWXWQRRG-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)CC[C@@H]2CC[C@H]2C2CC2)CCCC1	2319752686	ZNEKNFWPCZWTRU-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(OC[C@H]2CC[C@@H]2C(C)(C)C)c(C)c1	2320256581	RBWRLBKJULIIAN-CABCVRRESA-N	246.394	4.755	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@](C)(N)[C@@H]2CCC2(C)C)CC1	2320328164	OWCQXZVOIDOLAU-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CC[C@@H]2CC(C)C)CC1	2320333140	DQAHZROCMFUTAC-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)C2CC(C(C)C)C2)CC1	2320395898	GSBSBLXXHOXSNE-ZGRYLRDCSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@H]2C=CCCCC2)CC1	2320411990	MOUDNRNPLYHECZ-SJORKVTESA-N	247.426	4.554	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCCC[C@H]3C[C@H]32)C1	2321603203	PKGUGQXPCVLMIA-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@H]2C[C@H]2C2CC2)C1	2321625695	CKXCAOVSJQOVLV-NOLJZWGESA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)CC2=CCCCC2)C1	2321639182	IPALAALUZACWDP-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(Cl)cc2cc(-c3ccccc3)[nH]c12	1519061	AQJMRTUMAVSBFC-UHFFFAOYSA-N	241.721	4.797	0	10	BJAE	
C[C@H](Nc1ccc(F)c(Cl)c1)c1ccccc1	20358645	OUOPIUMAULEPJF-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC[C@@H](C)[C@@H]1C	20520118	IQRAYEPKCZTPNH-UGUYLWEFSA-N	239.447	4.760	0	10	BJAE	
CC1CCC(Nc2ccc(C(C)(C)C)cc2)CC1	21048968	ILMFVGCRPSMAHO-UHFFFAOYSA-N	245.410	4.975	0	10	BJAE	
Cc1ccccc1[C@@H](C)Nc1ccccc1Cl	21054956	LZSFEUMNUVOJAW-GFCCVEGCSA-N	245.753	4.822	0	10	BJAE	
Cc1cc(CC(C)C)c(O)c(C2CCCC2)c1	33610973	GIAQITHFOGVYNA-UHFFFAOYSA-N	232.367	4.557	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)c1ccc(C)o1	37763814	PKDTXWBWXUGFCA-CYBMUJFWSA-N	243.350	4.632	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)c1cccs1	50328674	WGUTXGSENPKBDV-OAHLLOKOSA-N	249.423	4.679	0	10	BJAE	
CCCCC[C@H](C)NCC[C@H]1CCC[C@H](C)C1	70538040	NMNWTGLIKOPYMR-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1csc(-c2ccccc2Cl)n1	71671010	FJNSJCHTCSKBRQ-UHFFFAOYSA-N	237.755	4.587	0	10	BJAE	
CCC[C@H](C)CCC[C@H](NC)c1ccccc1	80424109	NCHWMKRWQYRQJJ-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
Clc1cccc(N[C@H]2CCC[C@@H](C3CC3)C2)c1	81623928	OKGAQBDDXLIRNR-OCCSQVGLSA-N	249.785	4.721	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1	85086588	HOHJLPOXPBAOLL-GRDNDAEWSA-N	245.410	4.876	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)[C@H]2CCC[C@@H](CC)C2)C1	88011141	LUNBSKJURIBGPO-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](NCC)C1=CCCCCC1	97468744	VSOIFCCFHPBZCZ-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CCC(=O)c1cccc(-c2ccc(CC)cc2)c1	104035373	XSQJTEHLXRPSHL-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
C/C=C\C[C@H](CC)c1ccc(F)c(C)c1	107560490	VNQQZPHXKMMCIH-RNZFLTOJSA-N	206.304	4.594	0	10	BJAE	
CCc1cccc2c(Cl)c(C(C)C)c(C)nc12	109692679	BKUPDIDVWDUZGF-UHFFFAOYSA-N	247.769	4.882	0	10	BJAE	
CCCc1ccc(C(=O)C2CCC(C)CC2)cc1	109710352	ZCMFZNYOONYWTH-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NCC(C)(C)C)cc1	109851118	AZADDISFCUJBSD-CYBMUJFWSA-N	233.399	4.507	0	10	BJAE	
Cc1ccc(Cn2c(C)cc3ccccc32)cc1C	111550253	VDOSSWALJAXZQN-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CCc1ccccc1	111817417	ZPEIRLIZAUZDSB-WBVHZDCISA-N	248.410	4.587	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cscc2C)s1	134327416	AYFVGHBRQFHNAH-SNVBAGLBSA-N	237.393	4.600	0	10	BJAE	
Cc1ccc2oc(C(=O)CCC(C)(C)C)cc2c1	135763020	SFTZHXQJNDJPAS-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
C1CCC([C@@H]2CCCCC[C@H]2CNC2CC2)CC1	155836320	UTOJRBPHODVNNM-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H](C)c2cccc(C)c2)C1	160200588	FNUQGIAVRHKKIW-ZOBUZTSGSA-N	245.410	4.614	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C(CC)CC	161078520	ALHYXAXZEKTSRV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@H](C)CC(C)(C)C	167661795	BYIFIEFUZFIYFE-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC(=O)CC1CCCCCC1	168121718	BWNCVRWFSBJBIY-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
O=C(CCC1CCCC1)c1ccc(C2CC2)cc1	196858763	JHIBHEIDTPVSPO-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC(C)(C)c1cccc2c1oc1ccccc12	202804676	FVBPLXKQDODLQW-UHFFFAOYSA-N	224.303	4.884	0	10	BJAE	
CC(C)CCCCN[C@H]1CCCC[C@H]1C(C)C	214646305	IKCPEGUVMVZISP-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](O)[C@H]1CCC[C@@H](CC)C1	226985559	IUDFFHHFMRTTOG-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1cccc2ccsc12	228960464	LKZBQHNZRRDHSW-BXUZGUMPSA-N	247.407	4.598	0	10	BJAE	
CN[C@@H](CC1CCCCC1)c1cc(C)cc(C)c1	229473185	SCUQGEZDCNUEQQ-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cc(Cl)ccc1C	229616365	KQCKIYHSVLUZEZ-DGCLKSJQSA-N	237.774	4.639	0	10	BJAE	
CC(C)CCC[C@@H]1C[C@H](C)Nc2ccccc21	232563327	BMUXKNZQLMMAFZ-UONOGXRCSA-N	231.383	4.801	0	10	BJAE	
CCC[C@@](O)(C1=CCCCCC1)c1ccccc1	233315929	WLENSGSXRUHLSG-QGZVFWFLSA-N	244.378	4.565	0	10	BJAE	
CC[C@H](C)C[C@H](N)[C@@H](c1ccccc1)[C@H](C)CC	253021245	BTWXQTHFNFFOIB-HDEZJCGLSA-N	247.426	4.580	0	10	BJAE	
CC(C)c1ccc([C@H](CC#N)C2CC2)cc1Cl	260754693	XLAGUHZDGWKJQR-CQSZACIVSA-N	247.769	4.871	0	10	BJAE	
CN[C@@H](C1CCCCCCC1)[C@H](C)CC(C)C	302569280	ORPPIUIJWUXINT-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](n2ccc3ccccc32)C1	304973587	YWJVBIHSLDIZIB-DZGCQCFKSA-N	227.351	4.783	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)C)C[C@@H](C)C(C)(C)C	305997730	UOUCRHFGNGAHIG-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CSc1c(Cl)cc2sccc2c1C	306739854	SQANKIZVIXBSSO-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1ccc(C(=O)[C@@H](CC)CC(C)C)s1	308118495	YPPJLTRRLXJISQ-NSHDSACASA-N	238.396	4.566	0	10	BJAE	
CCCCCNCC[C@@H](C)CCC=C(C)C	310042203	ZGEVTTQMGBNZNV-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
Cc1cc(C)cc(O[C@@H]2C=CCCCCC2)c1	310057770	ASGASDMKUXJTIY-OAHLLOKOSA-N	230.351	4.571	0	10	BJAE	
CCN[C@H](CC1CCC(C)(C)CC1)[C@H](C)CC	310110388	FHMKJPRKRXOUAK-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CC)C[C@@H]1CCC[C@@H](C)C1	310125110	IXXJKGLWUWHKGT-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCCCC(C)(C)CNC(C(C)C)C(C)C	310135178	BGHKRALHZWAGPY-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)C[C@@H]1C[C@@H](C)c2ccccc2N1	310388183	QYUYLCPLNCYWKJ-OCCSQVGLSA-N	231.383	4.801	0	10	BJAE	
C[C@H]1C[C@@H](C2(N)CCCCCCC2)CC[C@H]1C	383211733	XSUSKQZKAJNCFB-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(O)CCCC[C@H]1C(C)(C)C	383513362	HCKIVHDJMFEWTC-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(CN)([C@@H](C)CC(C)C)CC1	383568545	JPLHIYBZTWPJOD-FHERZECASA-N	239.447	4.604	0	10	BJAE	
CCC[C@](C)(CNCC)C[C@@H]1CCC[C@@H](C)C1	383899575	NLRAMDURJRDKEH-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)C)c1cccc(C)c1	384546441	CEUQARXVWVXEJY-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1ccccc1CCC	384663986	PCVDFESRCNKLJJ-PBHICJAKSA-N	247.426	4.855	0	10	BJAE	
O[C@H](CCCCC1=CCCCC1)c1ccccc1	385059230	SZZVPAZJRXFJKJ-QGZVFWFLSA-N	244.378	4.781	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H](C)C1)c1ccco1	386552991	UDRRCCCEDIBJMA-RRFJBIMHSA-N	249.398	4.537	0	10	BJAE	
CC[C@@H](N[C@@H](C)CCC(C)(C)C)C1CCCC1	387560835	XQHIIYCOIHUWLK-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H](Nc1ccccc1)c1ccsc1	390779444	IDWOBSRHAQIZDL-CQSZACIVSA-N	231.364	4.701	0	10	BJAE	
CCCNC/C(=C\[C@@H]1CCC[C@H](CC)C1)CC	394515268	LXTWBWDGJTWLJR-HFFAAAOLSA-N	237.431	4.539	0	10	BJAE	
CC[C@@](O)(CCC1CCCCC1)C(C)(C)C	395373102	MCSUCVSFJWRQOH-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1N[C@@H]1CC12CCCCC2	395674364	OLXPCVJDHJKXBX-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](CCC[C@@H]1C[C@H]2C=C[C@H]1CC2)NCC	402139005	ICIKKNGJLSTTAV-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCc1cc2c(CC)ccc(CC)c2nc1Cl	689632812	UUMIPXLGFQMENF-UHFFFAOYSA-N	247.769	4.575	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCCCC[C@@H]1CC	691172160	XSLOIJWURYDFIK-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H](CC(C)(C)CC)NCC	696165070	WGPUWIXAIKKDQN-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)c1sccc1C	696207082	MQANYMANVTZLNV-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CC(C)=CCCC(=O)C1CCC(C)(C)CC1	697863161	BMQQURAEXVNIBQ-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H]1C[C@@H]1C(C)(C)C	699813589	UEMZYKCNMAIARL-CABCVRRESA-N	244.378	4.504	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)C(C)(C)CC	701172823	WQMLBWXESXUNTC-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1C[C@H]([C@H]2CCCC[C@H]2C)c2ccccc2N1	704882323	ZXHRKSLWJPAXQR-HGTKMLMNSA-N	243.394	4.801	0	10	BJAE	
CC[C@](N)(CCCCCC(C)C)C1CCC1	705301268	DOSVUAVFWSNNEU-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)CCC1CCCCC1	708315359	OOEGBOIMKNOVQA-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(O)CCCCC1(C)C	709262988	VBGIWEPLDJZFSA-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C12CCC(CC1)CC2	710232527	DBHBEGPHGRSGTP-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCc1cccc([C@@H](O)C[C@@H](CC)C(C)(C)C)c1	711087647	OQYQPKSBIYMZFP-CVEARBPZSA-N	248.410	4.745	0	10	BJAE	
CCC(C)(C)C[C@H](NC)C1CCC(C)(C)CC1	713173005	HDDANSIJZDARQK-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC(C)C)CC[C@H](C)C1	713335171	AVMCVBHSNJKVBN-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C/C=C/[C@@H](C)Cc1ccc(C(C)(C)C)cc1	714558080	APMXRGGJOCDWKG-KTRBRXNASA-N	216.368	4.739	0	10	BJAE	
CCCCCCC1(CNC2CC2)CCC=CCC1	718040281	PQAQQGOIGVBWEL-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC(C)=C(C)CCC(C)(C)CCNC(C)(C)C	718493308	JQHBZEPJANKCDH-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCCC[C@H]1CNC1CC1	718493484	KUXOIOFOYUVIGU-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@]12CCCC[C@H]1C2	718540709	PGSZKDFNDBYISL-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(C[C@@H]2C[C@H]2CC)CC1	723080565	ZRIZOWODESVLQH-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@@H]2CCCC3(CC3)C2)C1	723559585	JHDFBLVGEYWZLD-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)CCN(C[C@H]1CC=CCC1)C1CCCC1	1461889888	WNABDMXQRTXOGZ-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1COc1ccccc1Cl	1559326326	ATLCYXDUKFUEMH-VXGBXAGGSA-N	238.758	4.545	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCCC12CCCC2	1560988905	LOWJWUKUGVSOPU-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(S[C@H]2CC[C@H](C)C2)cc1C	1640683542	FUWOBQRBTUWMQB-GWCFXTLKSA-N	220.381	4.584	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](CC)CCC)s1	1900676079	PDMFBGKKXYNNMT-LLVKDONJSA-N	238.396	4.710	0	10	BJAE	
CCCC(O)(CCC)CC1CCCCCC1	1901054873	GXUPDYIOTHXWFP-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H]1CC[C@H](C)CC1	1909702745	FEMLLOPSEVJIHI-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)C1CC2(CCCCC2)C1	1912604953	QSFSIHMFJWQPHU-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC(F)(F)C[C@@H]1CCCCCCCC[C@@H]1O	1913383413	ASWUWTHWEDTJCK-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCC(C)(C)CC[C@@](O)(CC)c1ccc(C)cc1	1919893111	NMKJZCQEGSRYEL-KRWDZBQOSA-N	248.410	4.809	0	10	BJAE	
CC(C)CC[C@H](C)[C@](N)(c1ccccc1)C(C)C	1920496930	OFYDASHOFZBURV-RDJZCZTQSA-N	247.426	4.569	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@H](C)C1CCCCC1	1924113103	YUKYVIRISWAPEU-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@@H]1C=CCCCC1	1925891922	QLQFOEOILGZTQB-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(C[C@@H]2C=CCCCC2)C1	1925919822	HOSDITDMPMZPJS-ZACQAIPSSA-N	249.442	4.668	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C=CCCCC1)C1CC1	1925946262	RJKBILZCUNEURK-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](NCCC(CC)CC)c1ccccc1	1926171617	ABFARULPFFDRBV-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CCCC1CCC1	1936347387	DMTYXDAIVAHUBK-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H]1CCC[C@@H](CC2(C)CCCCC2)C1	1940409138	NTFNUKWNFBDCIM-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](O)C(C)(C)C(C)(C)C	1940880598	BHDZGINAGXFEQK-QWHCGFSZSA-N	240.431	4.636	0	10	BJAE	
CCC1(C[C@H](N)[C@H](CC(C)C)C(C)C)CCC1	1941267233	PKEAVOCTWCPFEC-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C(C)(C)C(C)C	1944617913	HOOXNBIFFGLTBK-OAHLLOKOSA-N	234.383	4.526	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C[C@@H]1CC1(C)C	1944740429	BXEYGTQHVQGZKC-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1Cn1ccc2cc(Cl)ccc21	1944799168	KAILBWPKJGEJLR-YPMHNXCESA-N	247.769	4.731	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNc1cccc2ccsc12	1944838479	YOJGGUJWNZVDJR-WCQYABFASA-N	245.391	4.749	0	10	BJAE	
CC(C)CC[C@@H](C)NCCC1(C)CCCCC1	1945431532	CMMAPTOVALTVDC-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCCCCCC1(F)F	1947298645	VFJNHWSTIWINAW-STQMWFEESA-N	247.373	4.513	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CC1(C)CCCCC1	1947513887	ATHXSZHWJQPFTF-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CCCCCC1CC1	1948321392	JHBYUGILZLUJGY-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)C1=CCCCCCC1	1948949178	FGGYIZLPHBFGFY-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
Cc1cc([C@H](N)CC2CCC=CCC2)c(C)s1	1949081726	SOBRINWFKGIWNS-OAHLLOKOSA-N	249.423	4.501	0	10	BJAE	
CCC(CC)C[C@@H](N)[C@@H]1CCC2(CCCC2)C1	1949536358	ZQMYFRIEDAOPBH-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H](C)C(C)(C)C)CC1	1950925677	VOONXXPWNLLUHR-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CC(C)CN(CCCCC1CC1)c1ccccc1	1962903773	JCSVMDCRLCJSRH-UHFFFAOYSA-N	245.410	4.729	0	10	BJAE	
CC[C@@H](NC1CC(CC)(CC)C1)C1CCCC1	1963179691	NZCRDCHMCKVTGA-OAHLLOKOSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@H]2CCC3(CCC3)C2)C1	1970084926	BRVRKLPNJMPXAG-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H](NC1CCC2(CCC2)CC1)C1CC1	1973043023	JITMTVNMUHGBSR-HNNXBMFYSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1C[C@H]1C1CCCC1	1973328495	ZBDLMFJSYSCMHY-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CCC(N)(C(C)(C)CC)CC1	1981067538	HFZNERKNLZAZSL-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCC1(C)CCC(n2c(C)ccc2C)CC1	1981072848	OFEAHGUAAZGJNZ-UHFFFAOYSA-N	219.372	4.636	0	10	BJAE	
CCCCCC[C@@]1(C)CCN[C@H]1CCCC	1984731276	ZILQFHOFEBSJOZ-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@H](N)CC1(C(C)C)CCC1	1989462970	KSWQVXFYIXDYIW-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)C(C)=C(C)C	1989667260	SYTNYFYMSNSZIB-ZFWWWQNUSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@](C)(O)C[C@H]1CC[C@H](CC)CC1	1989773041	XEXVNVORMYHVQC-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)C1CCC(C)(C)CC1	1996546347	JFQLOZJNMLWTMR-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](N[C@@H](C)C1CCC(C)(C)CC1)C(C)C	1996551390	CJMGQPIOWVQMAU-ZFWWWQNUSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC(C)(C)C)CC1	1997116674	MCWCXYWZOZQTIX-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@@H]1CCC=CCCC1	2000001441	MMQNBEDJJCAVIX-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@@H]1CCC[C@@H]1C)NC	2000336710	UTBRCBKXQVGFMK-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1CC1)C1(C)CCCCCC1	2000390651	PKHSAOJYNWTBNJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCCC1(F)F	2001814496	ODDORRHRSUFCHL-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2002228037	IQMZDYDDVOJBPN-MUJYYYPQSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H](C(F)F)C(C)(C)C	2002437037	YQZGWKDDQUCGNV-LLVKDONJSA-N	248.357	4.699	0	10	BJAE	
C[C@H](C[C@@]1(CN)CCCCC1(C)C)C(C)(C)C	2005588426	DXQKQUHUGXTKFO-CZUORRHYSA-N	239.447	4.604	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@@H]1CCCCC12CC2	2005598225	BTDLYUICMFBKNT-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](N[C@@H]1C=CCCC1(C)C)c1cccs1	2006903096	XJVDHVSCIICBHK-GXTWGEPZSA-N	249.423	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](O)[C@@H](C[C@@H](C)CC(C)(C)C)CC1	2009407838	PQTSQKVQSLJOSW-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCC[C@@](C)(N)C1CCC(CC)CC1	2009569194	MJDKRQYBQAXTRQ-GUYZCGGBSA-N	237.431	4.667	0	10	BJAE	
CC=CCCCC1(CNC(C)(C)C)CCCC1	2009619343	KLQHMSKMRCOURO-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CC=C(CC(=O)CC2CCCCC2)CC1	2010601341	UMQBDKHGVKNEJT-CYBMUJFWSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@@H](NCCC)C1=CC[C@H](CC)CC1	2010711617	BXSZXEWOAQXAHC-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CC1=CC[C@@H](C(C)(C)C)CC1	2010728796	IVPNVTRZGFDSHF-YUELXQCFSA-N	237.431	4.523	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2012002507	OAFWQILMJKOBTN-ZSOGYDGISA-N	236.399	4.598	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)C2(C)CCCC2)c1	2014340865	TZPIUSBPGQYQFF-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CCNCC(CC)(CC)CC(C(C)C)C(C)C	2015413527	VTNFFKUJXSANBJ-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1(CCC)CCC1	2015589792	ZOXJJFQDEFBIDH-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC(C)(C)C1CCC1	2016145858	QUYPAZJJPPYYFQ-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H]1CCC12CCC2	2018129539	DBCWQJYGGVUKRG-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@]12CCCC[C@H]1C2	2018576324	ZOLIIQBVFJRBDP-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)C1CCC(C)CC1	2019309135	JLRVUQIARHWNLR-PCKAHOCUSA-N	239.447	4.712	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1C[C@@H]1C1CCC1	2022314695	CGTUCSWGSKZYFT-AEGPPILISA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)C[C@H](C)CC(C)(C)C	2022490969	XLNKZGWTVXPUGA-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CCCC(C)(F)F	2023306471	IXHGBKRHSQVKEQ-QWHCGFSZSA-N	249.389	4.746	0	10	BJAE	
CC[C@@H](O)[C@@H](C)CC1CC(C)(C)CC(C)(C)C1	2024123299	LIPHGTVHASYROT-GXTWGEPZSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@H]1CCCC(C)(C)C1	2024124626	QKKRLOWYYFAUQZ-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NC)C1CCCCC1	2026165101	YSDAQTFSBQQMSB-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@@](C)(CC)CC=Cc1ccccc1	2026999260	VIMNUURHRHQVJJ-KRWDZBQOSA-N	245.410	4.506	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)C1CC1	2027627635	KKHQAEWVRDECAC-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C12CCC(CC1)CC2	2027856139	VRBGTIIGLDDYRD-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)c1cocc1C	2028629585	BFRAUFUSWHXHCE-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CC[C@@H]3C[C@H]3CC2)C1	2028964793	NBFPEJUJXPLYSR-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(N)CCC3(CCC3)CC2)C1	2032253791	WEXQEPOHTWAKQQ-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@H]1CCC[C@H]1C	2032483593	KMQXUWCTBUGHTB-KGLIPLIRSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@@H](C1CC2(CC2)C1)C1(CC)CCCC1	2036182375	MRMLYDWRACEPTN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C1=CCCCCCC1	2037076296	RPAQGKXKNUDDKV-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2CC3CCC2CC3)CCC1	2037136240	XBRLTIMFDCXVSE-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(CC(C2CC2)C2CC2)CC1	2037189549	RZJIWJLVFRQSHP-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2CC23CCCCC3)CCCCC1	2039082419	QGHQIDMGERNCBV-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
c1cc(C2CC2)ccc1NC[C@@H]1CC12CCCC2	2039088723	NBPJCLFJBBOLSF-HNNXBMFYSA-N	241.378	4.556	0	10	BJAE	
C[C@H](CC(=O)C1CC2(C1)CC(C)(C)C2)C1CCC1	2039424474	QCEFQPBDQNJVHA-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1N[C@@H]1CCCC2(CCCCC2)C1	2040764544	DQKGIRBBOMDWJR-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)[C@@H]1CC=CCC1	2042022556	SBBKYTDMZZKLJR-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@@]1(C)CC=CCC1	2042024779	PAHCRNHOGFMAMS-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(C[C@@H]2CCC=CCCC2)C1	2045318282	TYSROJBEJKHXRG-ZACQAIPSSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)[C@H]2CCCC3(CC3)C2)C1	2045391882	QHJWINVFGLDMQR-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CCC[C@H]2CC2(C)C)C1	2045561059	CTDFYFGKHSAXKP-CFVMTHIKSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048442717	GVSPZBFVDLSISI-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@]1(C2CC(CC)C2)CCC=CCCC1	2048634423	PVUWRCNIZVAIQH-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H](O)c2ccc(C)cc2)C1	2050439807	CYHHJMYJMSJNNG-HLLBOEOZSA-N	246.394	4.635	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC12CCC(CC1)C2	2051404501	BYOGRNDIVDOAEJ-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@H](CCC=C(C)C)c1ccccc1	2051407356	INXSMVNWHDKGHY-KRWDZBQOSA-N	245.410	4.516	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CC2CCC1CC2	2051410148	YBKCBFCBZJOAHT-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
FCc1ccc(NC[C@H]2CC23CCCCC3)cc1	2055671689	KURICOYWALINAZ-CQSZACIVSA-N	247.357	4.538	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)C1(C)CCCCCC1	2056874013	SNYZNDWAFJXFPV-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1C[C@H]2CC[C@H]1C2	2059250153	NXEOFULVQATUPL-HZZZJLPRSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1C[C@H]2CCCC[C@@H]21	2059262820	PDQYPILKUBWQFQ-XTJKPPFFSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C([C@]2(O)CCCC23CCCC3)CC1	2061080271	GJMPMYXNGJXJCA-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1[C@@H](O)CC1=CCC(C)(C)CC1	2061092018	MSIDIHBATCSAMX-INIZCTEOSA-N	244.378	4.555	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C2=CCC(C)(C)CC2)CC1	2061094487	GQPXTQCZARKCFE-FMKPAKJESA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@](C)(F)c2ccc(N)cc2)CC1	2061146176	FGZOEEGEUJYPPX-LRDDRELGSA-N	247.357	4.590	0	10	BJAE	
CCN[C@H](CC[C@]12CCC[C@@H]1C2)CC1CCCC1	2061573118	VTZXHGRHZHHZDU-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC1CC1)CC[C@@]12CCC[C@H]1C2	2061610651	BFUUQNPTNOLCLY-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1C[C@H]2CCC[C@@H]2C1)CC1CCCC1	2063488333	BAEVIRSOWLPBMY-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063524874	PNAJYALDJTUMFE-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H]1C[C@H](CC2CCCC2)CC2(CCC2)C1	2063637925	OLGPSTRZZLZDAH-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC[C@@H]1C)c1occc1C	2063677156	FRTSOZMJYZISMP-AEGPPILISA-N	249.398	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H]2CC(=O)CC3(CCC3)C2)C1	2063717072	YYZBYNLSDQTAOV-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCCC1(C)C)C1CC2(CC2)C1	2064509347	WKOQTPLXPGHRIT-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(N)(CC23CCC(CC2)CC3)C1	2065338653	UHIZUSGKHZQDNX-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC12CCC(CC1)CC2	2065339358	LOMRYEFTXMKGCK-PREGVCBESA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2069343136	WLIWKBSEUHPCSG-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1CCCCC1)C1(CC2CC2)CCC1	2069515722	ZVKOJLVIONPGTE-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1CC2CCC1CC2	2070398916	OFZRAOVGECLVIR-ZGRYLRDCSA-N	249.442	4.537	0	10	BJAE	
CN(C[C@]12CCC[C@@H]1C2)C1CCCCCCCC1	2070946231	FHUNYDZLRLXYTK-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CCc1ccc(N[C@H]2CC[C@H]2C2CCC2)cc1C	2071781612	CZYXRMCBGSZIEV-IRXDYDNUSA-N	243.394	4.548	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNC(C)C)CCC12CCC2	2072411453	PKPLQHALGBSGOW-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@](C)(NCC2CC3(CCC3)C2)C1	2072609280	VTPRNHRLPRKRTB-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(O)c2ccccc2)CC1	2072669341	MNZNPFHPPFIJIF-BFYDXBDKSA-N	246.394	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C2=CC[C@H](C)CC2)CC1	2072703050	UQRGKTGHUDYYID-NXNVCVFFSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C2C[C@@H]3CC[C@H]3C2)CC1	2072875103	KLJHULWVTZITMJ-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)c2coc(C)c2)CC1	2072877994	KYBVMBNDYKXVNS-HDJSIYSDSA-N	248.366	4.767	0	10	BJAE	
CCC1(C[C@H](NC)[C@H]2CCCCC23CCC3)CC1	2074649064	PPYHBYDAPJULLZ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC[C@H](C)C1CC1)c1ccccc1	2075815376	VGGRTTSIJVODPL-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](NC)c1ccccc1C(C)C	2079433959	CVONUVUIUDURCN-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2C[C@H]2C2CCC2)CCCCC1	2079441078	VWPXUEWRKJHQPT-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCNCC(=C[C@@H]1C[C@H]1C1CCCCCC1)CC	2079665641	MKSWSWWNTIGLKI-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@@H]1C[C@@H]1C1CCCC1	2079833294	SJTFPZCBFDPPFX-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@H]2C[C@H]2C(C)(C)C)c1	2079851750	MYMRYWFXAQWGRU-UKRRQHHQSA-N	244.378	4.640	0	10	BJAE	
O=C(CCC1CCC1)C[C@@H]1C[C@@H]1C1CCCCC1	2079862714	JDSMKICDZVFFAA-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(C[C@@H]2CCCC(C)(C)C2)C1	2082975438	IWHMIKTTYKOSTA-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@](O)(CC)CC1C[C@H]2CCC[C@H](C1)C2	2213276183	WVKGZXSFPLNBTR-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
NC[C@@H]1CCC[C@H](CCCCCCC2CC2)C1	2213573202	FHVQSGKJSTXSEG-JKSUJKDBSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CC[C@H](CCCCCCC2CC2)[C@@H](O)C1	2213580031	JCLKOAXUEVIEBN-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@](C)(CC)CNC(C)(C)C	2215253092	QQGWORZYOHXTKU-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1(C(=O)CC[C@H]2C[C@H]2C)CCCC1	2215345183	HYHFBZQRCVVILV-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1(C)CC(C)(C)C1	2215386267	LGGPQMKRIHGRTN-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
O[C@@H]1CCCC[C@H]1CCCCCCCC1CC1	2216879979	PIMVDIFZVCADMD-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2220635990	GWYDJSVUXANZTF-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CCCCC1CC(Nc2ccnc(C(C)C)c2)C1	2220885124	JLODRRKHJDCOKS-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)c2c(C)cccc2C)CC1	2221995352	PFNNVJQWBGJIFL-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)c1c(C)cccc1C	2222004369	UTDFUBUTWGYUOE-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC(=C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)CCCCN	2222947616	BIIRQSXVKAAMGM-ULQDDVLXSA-N	249.442	4.668	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CCC1CCCC1)N2	2224126354	ZXXCLBLQIUAHOE-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1(C(C)C)CCC1	2244782452	MSGBYRCURFRJFQ-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC(=O)CCC[C@@H](C)CCCC(C)C	2244844399	ZSVFWBWJRGBNEE-AWEZNQCLSA-N	226.404	4.988	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](C)(N)CC2CCC2)C1	2246664252	OOEFMMBWNVOCPN-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC[C@](O)(CC[C@H]1CCC[C@H](C)C1)C1CC1	2246689142	GBGWYKWUNGGCMQ-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CCC12CCC2)NCC	2247441449	OPAKPFLOBMEADX-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC[C@H](O)C1CCCC1	2248848938	AZBXWBJUPSVVGX-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@](C)(CC)CCCCC[C@@H]1C[C@@H]1C	2248854819	QIRVPPASXQTZHZ-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)[C@@H]1CC1(C)C	2250467217	OPLVVHFWQSOJRP-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN1CCC(C)(C)C1	2250467936	XUCCXGMFTZDKRS-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](C[C@]12CCC[C@H]1CC2)NCCC	2251174183	DTKURHRJGNHJPC-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@]12CCC[C@@H]1CC2	2251175781	ODHOWKGCGTZFGN-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@](C)(N)c1ccc2ccsc2c1	2253126185	GQXIZQOLSZDWTM-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
C[C@@H](CC(=O)c1ccc2ccsc2c1)C1CC1	2253129081	IMGKHDUKJTVKQT-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
N[C@@H](CCC1CCC1)CC[C@@H]1CCCCC12CC2	2253825033	RLYQVVWQGIIVDP-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CCC3(CC3)C2)C1	2253921435	OBTIKVGUNZGKPC-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC23CCCC2CCC3)C1	2253943448	GEQJWDWUPHYEGO-NUWOQIAWSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CC1CC2(CCCC2)C1	2254113416	JKLBJPNPKKNQCU-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
CC1CC2(C1)CC(N[C@@H](C)C1(C)CCCCC1)C2	2254145991	HQQNYAGEOXFYDH-WDCUWTOYSA-N	249.442	4.514	0	10	BJAE	
O=C1CCCCCC[C@H]1CC[C@@H]1CCCC12CC2	2255256231	NLYNHMZTBNBJCT-GJZGRUSLSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1CCCC12CC2	2255328377	VOAVGNLFQXOIHU-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H](NCC1(C)CCCCCC1)[C@H]1CC12CCC2	2256441760	DEHLUGWYKKWSJF-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNC1(CC2CCC2)CC1	2257317589	YKBYLORNEOOUQJ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CN(CCCCCCC1CC1)C1CCC=CCC1	2257964644	XKOLMLLOEYWEAA-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
Cc1cc(NC2CCC(C)(F)CC2)cc(C)c1C	2258231616	PSOBIMFWXPGBHC-UHFFFAOYSA-N	249.373	4.695	0	10	BJAE	
N[C@H](CC[C@]12CCCC[C@@H]1CC2)C1CCCCC1	2260579775	SZBWYLXMZPEFDK-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@H](N)C[C@]23CCCC[C@H]2CC3)CCCC1	2260611816	WHMHCQVMIPFWKB-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
CCCCCNCc1c(C)c(C)c(C)c(C)c1C	2263143132	BZWDKGOVYOUTFA-UHFFFAOYSA-N	247.426	4.509	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H]1CCC(C)(C)CCC1=O	2298932341	HYTNWPPTHIODJS-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H]2CCCC[C@H]2CC)N1	2300184674	JHNMJFOHGIXRRN-KLHDSHLOSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(O)CCCC(C)C	2300471504	JONWUBBUTVRPSE-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@]12CCCC[C@@H]1CC2	2300683686	MFJYMVDFMRZELW-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CCC[C@H](C)[C@H]1C	2300688068	JQKWMHDLRQJRBU-SQWLQELKSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1CCCCC[C@H]1C	2300688570	OLSGADFCSFCHJE-ZBFHGGJFSA-N	239.447	4.713	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(C)(C)CCNC(C)(C)C	2301831614	FJYDPLCQOHMMLM-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@H](C)[C@@H](C)C(C)C	2301912888	MUARPGLVZKNAEF-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
C[C@@H](CC(=O)CCC1=CCCCC1)C1CCC1	2301920470	CJUITXGDFCWMIR-ZDUSSCGKSA-N	234.383	4.662	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@@H](C)[C@@H](C)C(C)C	2301960671	DGJMBHHRDHNHHT-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CCC[C@@H](c2nc(CCC3CC3)cs2)C1	2302264213	ACDNZHIUGMNJID-WCQYABFASA-N	249.423	4.779	0	10	BJAE	
CCCCC[C@@H](C)NCCCC1=CCCCC1	2302315459	JLUAKISUTWLTDK-OAHLLOKOSA-N	237.431	4.825	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CCCC1=CCCCC1	2302358641	IQFIBUNBLOZNGH-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@H](C)NCC[C@H]1CCC(C)(C)C1	2304359937	IMVXDROVRDANTE-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)CC1CCCCC1	2307832745	WDSZMJIQEMNJSN-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C(C)(C)C1CCCC1	2307843280	OFOJJKHNJZETIM-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)CC(CC)(CC)C(=O)OCC	2307897586	CJPBXKZFHAKMGM-CYBMUJFWSA-N	242.403	4.572	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H]1CCCC[C@@H]1C	2307901219	XVNALJYRTZQSEC-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CC(C)=C[C@H](C)C1	2307908605	QFZGWOVCCDVWIU-HNKHHVNMSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)[C@@]12CCC[C@@H]1C2	2308101552	BVAQUQCNLZFAII-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H]1NCC[C@@]12C[C@@H]1CCCC[C@]1(C)C2	2310194297	CNFWAOJOKVDUFK-NXOAAHMSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313162538	RJSKQUBRZXAQEV-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H](C(=O)[C@@]23CCCC[C@@H]2CC3)CC[C@H]1C	2313305625	XYGKQJAIMHDUHY-JRBZFYFNSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@]23CCC[C@@H]2CC3)C1	2313320430	SFVSDCCBSKCNRF-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC1CCC1)N1CCC[C@H]1C1CCCCC1	2313604719	BDNAIIYRHNFNSR-YOEHRIQHSA-N	249.442	4.610	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H]1CCNc2ccc(F)cc21	2313621622	AFBPEHKUWBFTSS-SMDDNHRTSA-N	247.357	4.551	0	10	BJAE	
CCCN[C@H]([C@H](C)CC1CC1)[C@]1(C)CC=CCC1	2313660579	KGCMJCKFWIHZKH-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1C[C@H]1C1CCCC1	2316508717	DMYPQJSETRLNPY-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@H](NCCC)[C@]12CCCC[C@H]1CCC2	2316542109	MVLSNXXWRCZABH-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CC(=CC=C1CCNC[C@H](C)C1)CCCC(C)C	2316556020	CWVWIIJTEDCZNU-MRXNPFEDSA-N	249.442	4.705	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@H]1C[C@H]2CCC[C@H]1CC2	2316870203	OSKBRRQYKJDRQO-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316937281	AUNXJJQPKXWHGB-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)C[C@H]2C[C@H]1CC21CC1	2317117899	DPQOFVYWZXJXOE-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317144470	YLWLLWTXDQVIDE-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H](C)[C@@H](C)C(C)C)c1	2317907168	OCVQRMYOFYBOEJ-DZGCQCFKSA-N	246.394	4.723	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCCCC2=CCCCC2)[C@@H]1C	2318556495	AIKSUZUQTNZLJI-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCc1occc1[C@H](O)CCCC1=CCCCC1	2318573749	VXGLVHNBZZONCF-OAHLLOKOSA-N	248.366	4.546	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@@H]2[C@H]3CCCCC[C@H]32)C1	2319132449	ZMJCBSJDOQZAOT-TTZDDIAXSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@@H]2C[C@H]21)C1CCCCC1	2319254093	ZWLCEKIYIRJSMV-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@]23CCCC[C@H]2CC3)C1	2319286210	HPGLTIOXRYFMOY-JKIFEVAISA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@H]1CCC12CCC2	2320173373	MZHVEXKBSKTIOG-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC(C)=C(C)C2)CC[C@@H](C)C1	2320326598	GNFIKJULGSOOHO-XOKHGSTOSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H](CCC(C)C)C2CC2)CC1	2320414247	XBSBIKKJZLQZRT-SJORKVTESA-N	249.442	4.680	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)C=CCCC2(C)C)C1	2321605325	KTLXYNQMFGKYHN-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1	2321638078	YCRGSAPSUHDNGH-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCCCc1ccc(N[C@@H](C)CC(C)C)cc1	20565446	DGKGILLQKBEISS-AWEZNQCLSA-N	233.399	4.876	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc2[nH]ccc2c1	21054524	VXMBPTPVTVAUMI-TZMCWYRMSA-N	244.382	4.795	0	10	BJAE	
CN[C@H](CCC1CCCC1)c1ccc(C)c(C)c1	35457487	YGFIUDHCTHQMDP-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCCCN[C@H](c1ccccc1)C(C)(C)C	36994505	HGYORPPXTVWDLS-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@H](C)Nc1cccc(C(C)C)c1	37231156	KKAKNDPEYKVZMK-ZDUSSCGKSA-N	219.372	4.801	0	10	BJAE	
CC(C)Cc1ccc2oc(CC(C)(C)C)nc2c1	62534511	VTTSDHHSCVCFFZ-UHFFFAOYSA-N	245.366	4.615	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](CC)c1cccs1	68987171	HXCQOCWFQMQING-CHWSQXEVSA-N	239.428	4.758	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccc(C)cc1C	70977179	KAMMCJWVWQTKIV-GDBMZVCRSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCC)C(C)(C)C	71085305	NYPNRXNDHXOARP-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)Nc1c(C)cccc1CC	71104505	NOBCPEYMOVBIMI-CYBMUJFWSA-N	219.372	4.548	0	10	BJAE	
CC(C)c1ccc([C@]2(N)CCCC(C)(C)C2)cc1	79972879	RTEHAYYIPBJSIG-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCCC(C)(C)C2)c(C)c1	83783648	YUFFCGJFBPOWLN-HNNXBMFYSA-N	245.410	4.993	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)c1ccc(C(C)C)cc1	84400409	QROSPKJWDDTCSJ-LSDHHAIUSA-N	247.426	4.692	0	10	BJAE	
CCC[C@H](Nc1ccsc1)c1ccccc1	85528689	YLVWZUHFVLUUTQ-AWEZNQCLSA-N	231.364	4.701	0	10	BJAE	
C1CCC([C@H]2CCCC[C@@H]2NCCC2CC2)CC1	88454948	YKRPGWYRSPDHLJ-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
C/C=C\C[C@H](C)c1ccc2c(c1)CCCC2	107567936	GNAMXQVOBULZOO-SCOBNMCVSA-N	214.352	4.635	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C1CCCCC1	109726810	XHSZIIPNZMAULO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(C)cc1OC	109915408	FGYRKHMPQSIRNA-GXTWGEPZSA-N	249.398	4.630	0	10	BJAE	
CCC[C@H](CC)N[C@@H](CC(C)C)c1ccccc1	109944813	WCSAYJQZXLHDSX-IRXDYDNUSA-N	247.426	4.942	0	10	BJAE	
CCC(CC)(c1ccccc1)[C@@H](N)CCC(C)C	110446718	DTBIHQNNZITALQ-INIZCTEOSA-N	247.426	4.508	0	10	BJAE	
CCCc1ccc([C@H](N)C[C@H](C)C(C)(C)C)cc1	111647052	KPSNZDCWXQOARE-XJKSGUPXSA-N	247.426	4.711	0	10	BJAE	
CC(C)(C)CC[C@H](N)CCC1CCCCC1	126741392	RYTGIFRESKPTSM-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
Cc1cc2ncn(C3CCCCCC3)c2cc1C	128345449	CVAQUJXGULKHHT-UHFFFAOYSA-N	242.366	4.548	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@H](C)CC1CCCC1	128579854	WZDDDLDRCWNXGR-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
CC(C)CCCCNCC[C@H](C)c1ccccc1	134287653	DWWBCDXVGCFEMU-INIZCTEOSA-N	247.426	4.596	0	10	BJAE	
CCCCC[C@@H](NCC)C1CCCCCCC1	159094442	UHSPMGOKDBECIK-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)c1ccc(CC(=O)CC2CCCC2)cc1	164993580	KLNDTXWCKJALKJ-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCN[C@@H](c1cccc(CC(C)C)c1)[C@@H](C)CC	165811441	MYDLBTWWWPSWGX-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C1CCCCC1	167099817	RKBSCSCYNGCKMC-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC(=O)c1c(Cl)cccc1Cl	167963889	QEFKZZBLDBGMRM-UHFFFAOYSA-N	245.149	4.612	0	10	BJAE	
Cc1ccc([C@H](O)[C@H]2CCCCC2(C)C)cc1C	226651865	CZIAZHWNTZINDV-CVEARBPZSA-N	246.394	4.553	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@@H]1CCCC1(C)C	226824916	WDGVRARCTSTIHP-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C1=C[C@H](Nc2ccccc2-c2ccccc2)CCC1	232578426	UQDJRXUZAQLEJS-INIZCTEOSA-N	249.357	4.874	0	10	BJAE	
CCCCCC[C@@H]1Nc2ccccc2C[C@@H]1C	232947051	HGRGZWIGVVTYLI-ZFWWWQNUSA-N	231.383	4.630	0	10	BJAE	
CCC[C@@H](C)[C@@H](CNC(C)C)c1ccccc1C	233286631	WXDXFWVDLGSMLC-RHSMWYFYSA-N	247.426	4.513	0	10	BJAE	
C/C=C/C[C@H](CC)c1ccc(Cl)s1	238281835	MDNHDWRHHQOJMM-SGRBOOSSSA-N	214.761	4.861	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H](CC)C(C)C)CC1	251282286	FFZMKNLTUPURAZ-OWCLPIDISA-N	239.447	4.760	0	10	BJAE	
Cc1c(Cl)n(C(C)C)c2ccc(Cl)cc12	258030724	SFZTUNBIYJEDJU-UHFFFAOYSA-N	242.149	4.837	0	10	BJAE	
CCc1cc(NCC2CCCCC2)ccc1C	302334710	SQMOOQVQVPJAHY-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CCOc1cccc2c1ccn2[C@@H](C)CC(C)C	302620180	ZXRFVWPIGAEYQK-ZDUSSCGKSA-N	245.366	4.647	0	10	BJAE	
CC(C)C(Nc1ccc(Cl)c(F)c1)C(C)C	304508465	JHSCTHBKSPKNIZ-UHFFFAOYSA-N	243.753	4.572	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)[C@@H]1CCCC[C@@H]1CC	306042585	SEFUZSAFESTJCF-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](Nc1ccccc1C(C)(C)C)C1CC1	306074822	YPCTYSDYDKYRJT-OAHLLOKOSA-N	245.410	4.975	0	10	BJAE	
Cc1c(C(F)F)c(Cl)cc2ccsc12	306892140	GQBMFUOWCBHATN-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCc1csc2c(CC)c(Cl)ccc12	307528251	MCLBWJNLBKEJKD-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](O)[C@H](CC)CC(C)C	308034248	RLPVMODUTVKTBX-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1(CC)CCC1)NC	310120544	HZHCQEWVFGIZEQ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CCC[C@@H](C)C1	310471689	BNIVXHYAXDYLNJ-KFWWJZLASA-N	238.415	4.988	0	10	BJAE	
CCCC1([C@H](O)c2ccc(C(C)(C)C)cc2)CC1	310962078	UHHWHJDZNWRKCO-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)c1ccoc1C	311193571	FIRHLWFFSSDOAN-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCC[C@@H](Nc1cscc1C)C1CCCC1	313450391	VTGZRZOZVOQFLA-CYBMUJFWSA-N	237.412	4.827	0	10	BJAE	
CC[C@H]1CCC[C@@](CCC(C)(C)C)(CNC)C1	317130587	GLMIKEKPDPJAPM-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)[C@H](C)NCC/C=C/c1ccccc1	323889650	VGGQFXQFOZQZOZ-GLNPCMGASA-N	245.410	4.504	0	10	BJAE	
CCCNCC[C@H](C)CC/C=C/c1ccccc1	324086622	AYVPYMVONAAYLY-OQRGYWNNSA-N	245.410	4.506	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@H]1CC[C@H](CC)CC1	328271999	PRDRYWQKJWEEGC-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
C/C(=C/C1CCCCCCC1)CNC(C)(C)C	379605229	BCLPZBMVTZYVFQ-OWBHPGMISA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H]1CCCCC1(F)F	382164457	PIIYNNXGOVVNAV-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC(C)CCCCCC[C@H](CN)c1ccccc1	383148965	HARIGOWKJMXIQO-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CC(C)CCCCC[C@@H](C)C[C@H]1CCCCN1	383158854	PSEMXDUUMKIXNV-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCNCC1(CCCCCC(C)C)CCCC1	383320515	XPDGOKIQQMPGCF-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCc1ccccc1-c1ccc(N)cc1Cl	384473933	UIHLPHWDNGAIAD-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
CCCc1cccc(C(=O)[C@H]2CCCC[C@@H]2C)c1	385039866	RASRJRXNSVPQMK-BBRMVZONSA-N	244.378	4.648	0	10	BJAE	
C[C@H]1CC[C@H](Nc2cccc3ccsc23)C1	386241574	OYINHRBBXUUHRV-JQWIXIFHSA-N	231.364	4.502	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNc2cscc2C)C1	394617482	KYOZWACJKZBHQI-QWHCGFSZSA-N	237.412	4.685	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)c1csc(C)c1	394672586	TXOVRONDIQLLQC-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCC[C@](O)(CC1CCC(C)CC1)C(C)(C)C	395310686	GWCRKYAFUKVMCC-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CC[C@](O)(CCC1CCCCC1)C(C)(C)C	395373101	MCSUCVSFJWRQOH-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)C1CCCC1	395653673	MTOUBOMMVHHTOC-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCOc1c(C)cc(C(F)F)c2ccsc12	396238039	ISJCESNYMHYOKO-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1ccc(C)cc1	401797217	IYQAWSNNNUKEQW-GJZGRUSLSA-N	231.383	4.623	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CC=CCC2)CCC[C@@H](C)C1	402151916	OFOJMQJKSSYDHH-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCC1([C@@H](O)C[C@H](C)CC(C)(C)C)CCC1	686925263	BIZOBVMTHCZCBR-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCCC1(CNc2cccc(C(C)C)c2)CC1	687551158	XTXDLSVSCKLVAL-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
C[C@H](CC1CCCCC1)NCCCC(C)(C)C	689785666	BYTFABUMEOCDOD-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1Nc1cccc(C2CC2)c1	690076063	NYRWJKSONMAUAX-LAQFHYBYSA-N	243.394	4.801	0	10	BJAE	
CC1CCC(CNc2cccc(C3CC3)c2)CC1	690076869	RGNJRULHBPEQFY-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cccc(C2CC2)c1	690151827	FJKFWQPDTFMUCW-WBMJQRKESA-N	229.367	4.555	0	10	BJAE	
C1CCCC(CNCC2CCC3(CC2)CC3)CC1	695701470	TYHYOSKMIJEPQH-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@@H](CCC(C)(C)CC)C1	696783472	ROKFZZXFIUTCEK-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCC(C)(C)C1	696801402	GIIOZZMBROJPDD-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H](C)c1ccccc1	697771376	TUZJJSUNNAIWOC-NVXWUHKLSA-N	245.410	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	699051448	MGUVHOCJJWTVSF-HGTKMLMNSA-N	239.447	4.602	0	10	BJAE	
c1cc(NC2C[C@H]3CC[C@H](C2)C3)cc(C2CC2)c1	704784302	CUFMPPZTXXCBPP-STQMWFEESA-N	241.378	4.555	0	10	BJAE	
CC(C)=CCCc1c(F)ccc(F)c1Cl	707819951	QAVULTZXFPICNM-UHFFFAOYSA-N	230.685	4.517	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@H](C)CC(C)(C)C	708297884	NXFQZWAKUPVHKZ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC(=O)[C@H](C)C(C)(C)C)CC(C)(C)C	709132368	RDQPFQXYYDOKCS-RYUDHWBXSA-N	226.404	4.700	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]21	712411708	ZCORMPNMEJBPBU-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](CN)C1CCCCCC1	713137875	CGNHMWLUFADDIA-HNNXBMFYSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)CC1(O)CC(C)(C)CC(C)(C)C1	713171421	WDWZPLNBQQVOHL-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)C[C@@]1(N)CCC[C@H](C(C)(C)C)CC1	713181873	KAGKATVUFHGMNY-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)[C@@H]1CCCCC1(C)C	713217911	SDYMARHYWYLJMN-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CC(C)(C)C(C)C)c1c(C)cccc1C	713242353	XYVAURVHMDWCIR-OAHLLOKOSA-N	247.426	4.636	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@@H]1CCCC[C@@H]1C	713695675	NZBUVOBPIKIDDU-DWAPUWECSA-N	249.442	4.703	0	10	BJAE	
CCCCCC1(CNC(C)C)CCC=CCC1	718082314	KXMYVKZJYGAMNX-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1csc(C)c1C	718637187	KVIULXNFYVBZFE-CQSZACIVSA-N	238.396	4.535	0	10	BJAE	
CCC(CC)C[C@@](O)(CC)CC1CCCCC1	720975904	CTOXGGXAHJPUFL-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CC2)C1)C1CCCCCC1	723561516	YNYUFUOCWQGERW-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
C1=C(CCN2CCCC[C@@H]2C2CCC2)CCCC1	1473613928	OTZOIQXCXCEAIQ-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
Cc1ccc(CS[C@H](C)CC(C)C)cc1C	1643791089	HPYRXPHFXJAACP-CQSZACIVSA-N	236.424	4.971	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cc(C)c(C)s1	1900695257	FOVMOJKHRZNDRB-ZDUSSCGKSA-N	239.428	4.581	0	10	BJAE	
CCCCC[C@](C)(N)CC1CCCCCC1	1901058254	KGTNYYOYKJNESC-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CC(C)=C(C)CCC(=O)CCC[C@@H]1C[C@@H]1C	1902193285	MYJZQKFNABUEDO-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H](C)CC(C)(C)C	1905318980	GZJDNAOJTXLBPW-KBPBESRZSA-N	227.436	4.569	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@H]1CCCC[C@H]1CC	1911933182	BTCWVLYPSUBQQE-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC=C1CCC[C@H]1[C@@H]1CCCCN1	1911935179	YOUQOEFFEVLRKX-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCC(C=C(CNC1CC1)C(C)C)(CC)CC	1911984545	MUAAUTFMNMPXEV-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C[C@@H](N)C1CC2(CCCCC2)C1)C1CCC1	1912606743	KMSSAUJXCVNFSE-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)C[C@H](N)C1CC2(CCCCC2)C1	1912631398	WBRCDFOQNQFTKX-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC1CCC([C@@H](N)C2CC3(CCCCC3)C2)CC1	1912645105	IXLRFJUFCQTCMG-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCCC1(N)CC2(CCCC2)C1	1912732904	VGJPJOSFLSBGJL-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2CCCC[C@@H]2C)C=CCCC1	1916568094	HDGXCOYOMURCCL-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc([C@](C)(O)CCC=C(C)C)cc1	1920021121	LCMLQMMDVWZBDZ-QGZVFWFLSA-N	246.394	4.593	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C1CC(CCC)C1	1921275289	BJXJTUDEEMUYBI-BCLQGDPASA-N	239.447	4.617	0	10	BJAE	
C(CCNC[C@H]1CCCC12CCC2)CCC1CC1	1921583190	KVCZRLHZRYQNCI-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CCCC12CCC2	1921595211	MLGPHBGTEMRVSC-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC(F)(F)CCC(=O)[C@@H](C)C1CCCCC1	1924105076	MRIYSLOETZDLOL-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C1CCCCC1	1924124076	HNOGIOPSDJNYMV-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@@H]1CCCC2(CC2)C1	1925735822	GKDKLORFNSBGMN-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
C[C@H](C[C@H](N)C[C@@H]1C=CCCCC1)C(C)(C)C	1925900403	GDTORBNZKHBCHI-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CCCCCC1CC1	1936415225	IKCRJSZXFGGZNX-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)C1(N)CCCCCCCCC1	1938723125	VTNSLOCDYYLFLO-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@H](CC)C(C)C	1941266736	JEAYTPRFDXUPJG-HZPDHXFCSA-N	237.431	4.559	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CCCCCC2CC2)C[C@H]1C	1941590450	BNLRLSZUDOXXNC-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@@]12CCCC[C@H]1CCC2	1944223963	VLXZZVCTHKQUGH-OFQRWUPVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@H](C)CC)C(C)(C)C(C)C	1944681187	SIYAGQREZQDUPY-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CCC[C@H]1C)NCC	1944822423	YYUXPPIWJNVSTI-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@@H]1CCC(C)(C)C1	1945592029	LMALEYWZNKQZDU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@H]1Oc1cc(C(C)C)ccc1C	1945669750	RPJVXUMGFIPXHW-JGGQBBKZSA-N	232.367	4.542	0	10	BJAE	
CCC(F)(F)CCC(=O)C1CCCCCCC1	1947991618	VFBKFSVKABXFQG-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCCN[C@H](CCCCC1(C)CC1)CC(C)C	1948846177	DBBJPEBNURJNJN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](C)(N)c1cccc2ccsc12	1948938096	YXRICISIQSMTRR-OAHLLOKOSA-N	247.407	4.656	0	10	BJAE	
CCC(CC)C[C@H]1c2ccccc2NC[C@H]1C	1949112189	QLBUYJHWTFNBPD-IUODEOHRSA-N	231.383	4.658	0	10	BJAE	
C[C@H]1CCC[C@@](CO)(CCCC(C)(C)C)CC1	1950909011	SIXMFNGKVBJKRJ-GOEBONIOSA-N	240.431	4.782	0	10	BJAE	
CC1CC(CC(=O)[C@H]2CCCC(C)(C)CC2)C1	1950918278	JDGGKPNYGCJLLR-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CC(C)(C)C)[C@@H]1CCCC(C)(C)CC1	1950919048	MTJMUZGYDLITPQ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC=C[C@@H](C)Cc1cc(CC)ccc1CC	1951306667	QBYXMGXRQLCXPY-CQSZACIVSA-N	230.395	4.956	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1cc(C)c(Cl)s1	1960262883	WJTOFALYEOZWBK-PSASIEDQSA-N	246.803	4.570	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCCC3(CCC3)C2)c1	1968596738	VBMWEYKQQAUBPJ-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
CCC(C)(C)CCNc1ccccc1C1CC1	1969417324	XUUXRSXWNBEFAE-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCC[C@H](Nc1ccc(CCF)cc1)C1CCC1	1970103210	XSMWYQWMLZYKOK-INIZCTEOSA-N	249.373	4.579	0	10	BJAE	
C[C@H](NCC(C)(C)C1CCCCC1)c1ccco1	1970820851	AWMBBBHAJUTFIH-ZDUSSCGKSA-N	249.398	4.537	0	10	BJAE	
CN(CC1CCC1)[C@@H]1CCCCC12CCCCC2	1974449518	KXCZJJDZGKWVCJ-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(CN)CCCC	1978627112	OJCWKAHPZYVYJM-LSDHHAIUSA-N	227.436	4.748	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCCCCC[C@@H]1N	1980350057	CROPFKUUBWFPGN-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@H](C)CC(C)C	1988793635	ASIJYVWQAUXNMN-CABCVRRESA-N	226.404	4.556	0	10	BJAE	
c1cc(N[C@@H]2CCC[C@H]3CCCC[C@H]32)cs1	1993370166	VSEZERWXLGCWMC-MRVWCRGKSA-N	235.396	4.519	0	10	BJAE	
C[C@@H]1CC[C@@H](CNc2ccc3sccc3c2)C1	1996223195	QCMNTCDZIWXYEU-VXGBXAGGSA-N	245.391	4.749	0	10	BJAE	
CCC(C)(C)CCNC[C@H]1CCC[C@H](C)CC1	1997117992	UWPNTZNXYFYOQA-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)NC[C@@H]1CCC[C@H](C)CC1	1997118671	ZFKYGILOLSDZEG-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)[C@H]1CCCC(C)(C)C1	2000031977	KDYDOTLZBNOHDU-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)[C@H]1CCCC(C)(C)C1	2000034910	VOYFHQJCLFQSPD-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC(C)C1(C(=O)CC2(C)CCCCC2)CCC1	2000195223	OUSZSLBRNMHBPH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C)CC1(CNC2CCC2)CCCCC1	2000662573	UHLOSRZQOMOHGT-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCCN(C(C)C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2000901225	WYHXKDLWTDQZSV-ZSHCYNCHSA-N	239.447	4.712	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@H]1CC12CCCCC2	2001218752	XZJICZHSVKWRKL-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CC12CCCCC2)NC	2001220188	SBEVHTDVOKOACC-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C[C@@]1(O)CCCCC12CCCCC2	2001602496	JXMOXWBJCYYBFJ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@H](O)C[C@]1(C)CCCCC1(F)F	2002595015	WDWVZEAVLCILQH-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(O)[C@@H]1CCC[C@@H](C)C1	2003005691	KJKQOIJUWWHPRZ-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@H]1CCCCCCC[C@@H]1O)C(C)(C)C	2003111385	LDOJCVIBIMZDGL-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](O)CC2(C)CCCC2)C1	2003175016	ISNLROQQIJKXDJ-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2004198146	QELUJFHWOVKBGE-SOUVJXGZSA-N	234.383	4.518	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)C1(C)CCC1	2004836689	YSSGZDRTBWTOLI-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
CCC(C)(C)CC[C@]1(CO)CCCC12CCC2	2005570384	KDGITPWKZNNSQK-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCC1CC(C[C@@]2(N)CCCCC[C@H]2CC)C1	2007749749	PSLOQXVUZBXWGV-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CC=CCCCNCC1(C)CCC(C)(C)CC1	2009587850	HHCGWNWKQKRLIC-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC=CCCCN[C@@H]1CCC[C@@H](C(C)C)CC1	2009591310	HXYKRULSRROUFX-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H](C)C1CCCC1	2009616166	GMTFYVNFFCDQOY-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCC1(CNC)CCC(CC)CC1	2009616374	ILZOQZVMZXYBNV-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
Clc1ccccc1N[C@@H]1CCCCCC12CC2	2011272807	VNIIUQXPEHYHPG-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
CCC[C@](O)(CC12CCC(CC1)C2)C(C)(C)C	2012809843	JEMWURQCKPRAIE-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1c(C)cccc1F	2013264659	OULVMAPAOTXACS-ZDUSSCGKSA-N	237.362	4.761	0	10	BJAE	
CCCCC[C@@]1(CNCC(C)C)CCC1(C)C	2014846425	NJXIXFYTLQLBIG-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1(CC(C)C)CC1	2015753397	QYDZFGZFRPQYHC-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C(C)(C)CCF	2016760359	VVRRKYVYPPQACF-CQSZACIVSA-N	245.426	4.567	0	10	BJAE	
CCC[C@@](C)(CNCC(C)C)CC(F)=C(C)C	2017464678	SOLFQDKEPGJZND-OAHLLOKOSA-N	243.410	4.692	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(CN)C(C)C)CC1	2017728387	KYZKPIXTQBQANR-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
C[C@H]1CC[C@H](CC[C@@H](N)CC2CCCC2)CC1	2017731727	VBUSSCCJIBYXLM-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC(C)(C)C[C@@H]1C	2018073680	AHVGQNMRVVGLFY-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCC1(C[C@](C)(O)C2CCC(C)(C)CC2)CC1	2018968881	YXDSGUFSBPFTFA-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC1(CCC)CC1	2018969000	AECAUNNFIOJWFY-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC(C)CCN(C1CCCC1)[C@@H](C)CC(C)C	2019301083	ZPFVCSFZYIOSKW-HNNXBMFYSA-N	239.447	4.712	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)CCC1=CCCCC1	2019774218	SZRVHUVFCLBEON-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
O[C@H]1CCCCCCCC[C@H]1CC=C1CCC1	2023244241	CYGAUGIRJWWEOO-HOTGVXAUSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)CCCCC(C)(F)F	2023303477	DGIUJMYBEZHVKP-TZMCWYRMSA-N	248.357	4.533	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CCCCC(C)(F)F	2023351399	AEKHBPPQCHWHIF-ZDUSSCGKSA-N	249.389	4.746	0	10	BJAE	
CC(=CCCN)CC1CC(C)(C)CC(C)(C)C1	2024093700	DLUMLBIEKFULAJ-UHFFFAOYSA-N	237.431	4.524	0	10	BJAE	
CCCC(CCC)C(=O)Cc1ccccc1CC	2027498085	AXNVDDPQNSJZPV-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1ccc(C2CCC2)cc1	2028264390	PDRXGUGBAPOIBP-IAGOWNOFSA-N	245.410	4.636	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccc(C2(C)CC2)cc1	2028606477	WIVJLFBTSRZDHC-BBRMVZONSA-N	246.394	4.598	0	10	BJAE	
CN(CCCCCC1CC1)[C@@H]1CCC12CCCC2	2028646844	XVBKLJWBTXSOHI-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C1=CCCCCCC1	2028750771	LWLPLQQHJHXXRQ-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1[C@H]2CCCC[C@H]21)C1CCCC1	2032779766	SUOXZSPZGCMIIX-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CCCC2)C1)[C@H]1CC1(C)C	2034362804	JRJDSTKWTAWGJF-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc([C@H](C)N[C@@H](C)[C@@H](C)CC(C)C)c1	2036385788	WGGBAAGOHORGAL-JYJNAYRXSA-N	247.426	4.716	0	10	BJAE	
CCC1(C[C@H](N)c2cc(C)c(C)cc2C)CCC1	2037102652	BXKDAWWHDVYMIX-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CC1(CCC[C@]2(N)CC[C@@H]3CCCC[C@@H]3C2)CC1	2037179323	KPJMJWLOSLMDKP-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@](C)(O)c2ccccc2)C1	2038167632	SFDVZISFEJFBHO-INMHGKMJSA-N	246.394	4.501	0	10	BJAE	
CC1(C)CC2(CC([C@H](N)CCC3CCCC3)C2)C1	2039462625	VKGUTROXNFDXDT-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@@H]1C=CCCCCC1)C1(C)CCCCC1	2039850435	SVYRYYZIYOSYRM-HZPDHXFCSA-N	249.442	4.824	0	10	BJAE	
CCc1cccc2ccn(C[C@@H]3CC[C@H](C)C3)c12	2040137317	HYRDCNIFSUONEA-UONOGXRCSA-N	241.378	4.640	0	10	BJAE	
CC1(CC2CCC3(CC2)C[C@H]3CN)CCCCC1	2040476582	DMXYNTSJRAGKQC-CKDBGZEDSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](Nc1cccc(F)c1)C1CCC(C)(C)CC1	2040639118	RGJUATVNBPGBCO-GFCCVEGCSA-N	249.373	4.843	0	10	BJAE	
C[C@@H](N[C@H]1CCC2(CC2)C1)C1CCC(C)(C)CC1	2040642145	SSFFXJCGKBKRFE-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC1(C)C)[C@@]1(C)CC=CCC1	2042021999	NGNKIWONGDWQCZ-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@@]1(C)CC=CCC1	2042024780	PAHCRNHOGFMAMS-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)C[C@@H]1CC1(C)C	2045323669	ODXAMYOMWFVTER-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC=CCC1)C1(C(C)C)CCC1	2045798288	ZNLQPRWXDYSPCZ-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@@H]1CC12CCCC2	2047010071	SNFAUDYWGYILIN-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1	2047342185	VJPHSKGIKXPRSI-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048367401	ZBDUDPCVCTYDPI-NPCUJANDSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@H]2CCC3(CC3)C2)C1	2049961248	CUNSRYXICVQBIA-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@@H](CC)C1)[C@]1(C)C=CCC1	2050007317	PRWPCQFMUTUZSH-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC2(C3CCC3)CC2)CC1	2051914824	NYBAFHUDLWFAQL-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)C2(C)CCCCCCC2)c1	2052500793	MXBHAKXTROLQCH-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
CN[C@@H](CC1CCCCC1)[C@@H]1CCCCC12CC2	2053410866	HEANOQCICOAEHH-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1CCC[C@H]2C[C@H]21	2059224869	GVALMKBJFWVQPH-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CSc1c(Cl)ccc(Cl)c1C(F)F	2060073918	CJSBBPLSIGPINZ-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
CC[C@H]1CC=C([C@@]2(O)CCC3(CCCC3)C2)CC1	2061089229	RPEDWNQBGNBYMC-WMLDXEAASA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)C2CC(C(C)(C)C)C2)CC1	2061144763	TYJMYXMNVLGJSD-MFNGEMCRSA-N	249.442	4.523	0	10	BJAE	
CC1CCC(C)(C(=O)CC[C@@]23CCC[C@H]2C3)CC1	2061606920	OIOGZGPKHGWNSG-UMAGBFNSSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](N)(CC[C@]12CCC[C@@H]1C2)[C@H]1CC1(C)C	2061619181	ZINXORGYTMCECH-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
OC1(CC2CC(=C3CCC3)C2)CCCCCCC1	2061687368	DGEAFYGYNUGADY-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2CC(=C3CC3)C2)C1	2061699124	INYYGIKWEJYPRD-WFASDCNBSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063509716	PPQISGLKHFFJNL-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C(=O)C2CC3(C2)CC3(C)C)CC1	2064131745	DKQPEVUIUFWNND-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)(CNC12CCC(CC1)CC2)C1CCCC1	2065263020	SGEMCEOHMTVYKU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](NC[C@@H](C)CCC)c1ccccc1	2066314508	TTWXGBPWIZMEJY-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)C[C@@H]1CC12CCCCC2	2068268138	COULSKOTKPCQNU-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@H]1C)C1=CCCCCCC1	2072077312	RWPBNRSXLCCFQM-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNC2CC2)CCC[C@H](C)C1	2072407882	NLVQZTCNYOGTLJ-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)C[C@@H]2CCC23CCC3)CC1	2072794480	USFSLZSRIJLLJQ-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(CNC3CC3)CCC2)CC1	2072798731	MEAIIEUTVHWCOV-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CCC[C@@H]3C[C@@H]32)CC1	2072805926	HCOKKUNRERNHPX-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@]2(C)CC=CCC2)CC1	2072809014	KRLZQBXSSQFUHZ-BHUNQDJPSA-N	249.442	4.667	0	10	BJAE	
CCC1(C[C@@H](NC)C2CC3(CCCCC3)C2)CC1	2074648593	KKRGQGHBZDWANA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN2CCC23CCCCCC3)C1	2074864467	JKZIGOVEDCSPBH-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)Cc1c(C)cccc1C	2074919552	VNMLMJZOGONHME-OAHLLOKOSA-N	247.426	4.560	0	10	BJAE	
FC1(CNc2ccccc2C2CCC2)CCCC1	2077262237	PISCSUSKLDATMJ-UHFFFAOYSA-N	247.357	4.648	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@H]1C[C@@H]1CCC	2079438176	GPBSGKNZLZCMPI-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)CC(N)(C[C@H]2C[C@@H]2C2CCCC2)C1	2079831089	ICLKAVXDPMMYIB-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@H]1C[C@@H]1C1CCCCC1	2079859866	ASJXOQGPNANHEJ-JJAZEVLHSA-N	248.410	4.598	0	10	BJAE	
Fc1ccccc1N[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2081139419	CILGMIFZFGCNLK-KCQAQPDRSA-N	247.357	4.597	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCC[C@H](C)[C@@H]1C	2081947843	XFLDTSALHKDHER-SLEUVZQESA-N	249.373	4.625	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@]2(N)CC(C)(C)C2(C)C)CC1	2084335725	MUMWMUDBMXOMFI-GUYCJALGSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CC)[C@H](C)CCC	2215252154	MXWPBZINVTYZHU-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CCN(C)CCCCCC(C)C	2215338025	FDXNDSJUEFSPJL-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
CCC[C@](N)(CC1(C)CC(C)(C)C1)C(C)(C)C	2215395456	YIUCVDVYTUBWRT-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](O)CCC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216765053	KKBGMMGRZIVDAO-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218331006	INMVGERDTJYXQF-RZLSGREXSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CCC[C@H](C2)C1)[C@H]1CC=CCC1	2218331571	JYHIJWGDLTTZCQ-FZKCQIBNSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC[C@@]1(N)CC1C[C@H]2CCC[C@H](C1)C2	2218356324	LVIWAXLZCOOZMM-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C(=O)CC[C@@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218373425	JCAXDMUOWSOZPF-WMHQRMGPSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)c1coc(C)c1	2218730282	HPFCKNRCXGPTKN-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CN[C@H](CCCC1CCC1)C1(C)CC2(CCC2)C1	2221002551	PVWNUSMKNUKINX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@]2(C)CC=C(C)CC2)C1	2221643509	NTROUOBVUGRSLW-HLLBOEOZSA-N	248.410	4.908	0	10	BJAE	
CCNC[C@]1(C[C@H]2CC[C@H](C)C2)CC=C(C)CC1	2221666710	JDHCQLVQRMVVSB-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](N[C@H]1CCC[C@@H](C(C)(C)C)C1)c1ccco1	2222254937	DLPHPRXXZJQVLR-MCIONIFRSA-N	249.398	4.535	0	10	BJAE	
CC1(C)CC(N)(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2222949345	ORMPOZWGBALGTN-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@]12CCC[C@H]1C2	2223116314	FFDKWGFNAPQSHK-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@H](C)C(=O)Cc1ccc(C2CC2)cc1	2223635460	XOJJCFXPAFTWKK-CYBMUJFWSA-N	244.378	4.502	0	10	BJAE	
CC(C)C(C)(C)CC[C@@H]1CNc2ccccc2C1	2223664428	XYPNYBPQWTWKOA-AWEZNQCLSA-N	245.410	4.733	0	10	BJAE	
CCCc1ccc(CC[C@H]2C=CCC2)cc1	2243549614	PHWFYEYTUIKNIA-HNNXBMFYSA-N	214.352	4.538	0	10	BJAE	
CCC[C@H](CC)CNc1c(F)cccc1Cl	2244802262	PHFYFMIYMSYRDG-JTQLQIEISA-N	243.753	4.717	0	10	BJAE	
CCC(=O)[C@H](C)CC[C@@H](C)CCCC(C)C	2244850667	GQGFHVAWQVMZDQ-UONOGXRCSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC1(C)CC(C)C1	2246584079	IAZKSBMXTXXUGW-CIDNJEQPSA-N	239.447	4.747	0	10	BJAE	
CCC1([C@@H](N)CC[C@@H]2CCC[C@@H](C)C2)CCC1	2246660170	NXUBABCGSUUBMC-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CC[C@H]1CCC[C@@H](C)C1)CNC	2246661442	AEZCZIDRAJNFHM-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](CN)CCC[C@H]1CCC[C@@H](C)C1	2246690157	ZTRCOIXMSCWDLO-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
CC(C)CCCC(=O)CC1CC2(CCCC2)C1	2246763486	UWCHAVBEDKXRKI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1CC2(CCCC2)C1	2246809441	ULRCDBKSRWDXRN-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCCC[C@@H]2C[C@H]2C)CC1	2247130015	RXRRKDVJKMDURB-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC2(C)C)C1	2247429975	AUCLZYWJCHIHMO-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CCCCC[C@H]1C[C@H]1C)NC	2248823650	VGJSOJYXZWYSKW-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@]12CCCC[C@H]1CC2	2251186580	HHNYWKAIQVAIMC-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](N[C@@H]1CC(C)(C)CCC1(C)C)C(C)C	2251680608	DPCKGSNVYUPGJN-UONOGXRCSA-N	239.447	4.616	0	10	BJAE	
C[C@H](CC[C@H]1CCCCC12CC2)[C@@H](C)NC1CC1	2253803595	FTNPEZUTCQCYRV-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC=C(CC)[C@@H](C[C@H]1CCCCC12CC2)NCC	2253823786	SAHMJUDELJRUPP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC[C@H]2CCCCC23CC3)C1	2253880064	HPEVWFMLJGOEHE-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCC[C@@H]2CCCCC23CC3)C1	2253890218	PMJDNUMPPAQPJW-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)C1CC2(CCCC2)C1	2254568279	GFLXRFGKAZGRKU-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CC[C@H]2CCCC23CC3)C1	2255258629	KIZNLJCEKBAIPX-OAGGEKHMSA-N	249.442	4.502	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCC12CCCC2	2256143853	HOOQIVHNKGVLEX-AWEZNQCLSA-N	247.357	4.523	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C1CC(C2CC2)C1	2257303782	OFOPHASLEKRBMJ-WHPGWMBPSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2C[C@H]3CC[C@H]2C3)c1	2257965190	FUVYFZSNZVSDMQ-XEZPLFJOSA-N	243.394	4.585	0	10	BJAE	
CC1CC2(C1)CC(C(=O)C[C@H]1CCC[C@@H](C)C1)C2	2259584709	YJDZBTUTTQPKBN-IJVKEESMSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@H](N)c2cccc(C3CCCC3)c2)CC1	2260728068	XWABDOCHBQGLTB-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCC(C)(C)CC(=O)C(CC1CC1)CC1CC1	2298872869	DOTWGCLRAGIEMM-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CCCCC1(C)C	2300685573	HALQCKDAPWECTM-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CCC(=O)C[C@@H]1CCC[C@H]2C[C@H]12	2300699956	IXBLVCUEUNTTCD-OFQRWUPVSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCC1(N)C[C@@H]2CCCC[C@H]2C1	2300705935	JQQKWHHANROJLG-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(=CC[C@H](C)[C@H](C)C(=O)O)CCCC(C)C	2300917735	DCSOMIKLAWDQDJ-KBPBESRZSA-N	240.387	4.506	0	10	BJAE	
CCC(C)=CCc1ccc([C@H]2CC2(F)F)cc1	2300928169	CGTAZDREJOBJIG-CQSZACIVSA-N	236.305	4.708	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@](C)(O)C1(C)CCCCC1	2301869433	NYIGPQJJSFAGLX-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCc1ccc2ccccc2c1F	2302230022	BVYRTBPINIVEGJ-UHFFFAOYSA-N	230.326	4.958	0	10	BJAE	
CC(C)[C@H]1C[C@H]1C(=O)CCCC1=CCCCC1	2302342738	MJDLGDCHOZRAQB-HUUCEWRRSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)CC[C@H](CCC[C@H]1C[C@H]1C)NC	2302613842	VZQOJRYGWLAPMA-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CC1CCC=CCC1	2302615021	ICPSCZNLDIEDPI-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)C[C@H]1CCC(C)(C)C1	2302747523	FGOAKHPSFMSHRM-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCC(CC)N(CC)CC[C@H]1CCC(C)(C)C1	2304437886	SMMGEGXJQNONDJ-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cccc(Cl)n2)c1	2307563910	WLDGYTBNKSBVJO-UHFFFAOYSA-N	245.753	4.834	0	10	BJAE	
CCC[C@@H](CC)CN(CCC(C)C)CC(C)C	2307747694	RYHANOLYFRSGDK-MRXNPFEDSA-N	241.463	4.817	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H](C)c1ccccc1	2307758127	UCWHQFVDKJVSML-UONOGXRCSA-N	232.367	4.576	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(N)CCCC12CCCC2	2307824532	WPWYMUGYJPWHMF-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CC[C@@H](C)[C@@H]1C(C)C	2307829335	SRKYKFZCBDWQDB-FXUDXRNXSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCCC1CC1)NCC	2307834509	JPIWAHGETKDXLI-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC1([C@@H](CC[C@@]23CCC[C@@H]2C3)NC)CCC1	2310385123	ATQQTODMXCTGSS-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)[C@@H]1C[C@H]1CCC	2311517037	GPBSGKNZLZCMPI-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)[C@@H]1C[C@H]1CCC	2311517774	XVZIKFGYSOCSHD-MWQQHZPXSA-N	249.442	4.537	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313185830	ZGOSDTQJJXODHR-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)[C@]1(N)CCC2(CCCCC2)C1	2313664362	ICGSWLTUHVNKRP-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1C[C@@H]2CC[C@@H]2C1	2316509035	NGYYACZWEVDLIC-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317118995	OGCQVFSYFVLYGY-WCXIOVBPSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@@H](CCC1=CCCCC1)NCCC	2317911894	MDBBYLXQGKDREH-KRWDZBQOSA-N	247.426	4.757	0	10	BJAE	
CCCCC(C)(C)Nc1ccc(C2CC2)c(C)n1	2318209004	DLWRXPWCWXSFJG-UHFFFAOYSA-N	246.398	4.648	0	10	BJAE	
C1=C(CCCN[C@@H]2CCC23CCCC3)CCCC1	2318521199	FZAYHLFNAXDFRK-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CC[C@]1(C)CCCN(C[C@@H]2CCC(C)=C(C)C2)C1	2320345780	BIKNPHACVGCZRA-IAGOWNOFSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2[C@H]3CCCC[C@H]32)CC1	2320416810	NQPCUIYESLXTQB-PNBKFKSVSA-N	246.394	4.518	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)c1cccc(C(C)C)c1	2320518609	REIIVKRVXGDIDQ-YOEHRIQHSA-N	247.426	4.882	0	10	BJAE	
CCCN(C1CCCCC1)[C@@H](CC1CC1)C1CC1	2320779281	NDMWRXJVUPBNSY-KRWDZBQOSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)[C@H]2CCC3(CC3)C2)C1	2321634529	SQBMZKJNZHSTFH-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC(C)C)c1csc2ccccc12	35499583	RZUQIFRDJJLGFE-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@H]1NC[C@H]1CC=CCC1	36920875	RXOWIAXXJPVUPL-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](c1ccccc1)C(C)C	69372704	ZKJJZDLBHMGVFA-SJORKVTESA-N	247.426	4.942	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccc(Cl)cc2Cl)C1	70747804	JCGGDCRPBHDRCA-SCZZXKLOSA-N	244.165	4.594	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC[C@H](C)C1	71084853	JVDMVMOMILMLIT-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CCCCc1ccc(NCCC(C)(C)C)cc1	83360399	VACJWCXSHIBBDV-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CCCCC[C@]1(O)CCC[C@H](C(C)C)CC1	83520731	OEQUICAPKBZHLM-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CC(C)NC/C(=C\C1CCCCCC1)C(C)C	92727441	WPVUKLXATXHRIV-LFIBNONCSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC1(C)C)c1ccccc1	94279302	NINYDOVNMPYNAO-JKSUJKDBSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)c1ccccc1C	103935319	HZARSVKJEBYHBA-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1ccc2ccccc2c1	109742440	LFGYRPWAUYUSAV-GUYCJALGSA-N	241.378	4.666	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(F)cc1C	110158978	GRVFJSIYBWEKIQ-ZDUSSCGKSA-N	237.362	4.762	0	10	BJAE	
CCCCCCC(=O)C12CC3CC(CC(C3)C1)C2	112884272	WVGMCFKTNJHZMI-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@H](C)C(C)(C)C)cc1	122587769	XTZBHFTXDZVDAE-UONOGXRCSA-N	247.426	4.895	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H](C)CCC	133544214	PPROBTIJBXFSDX-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC1CC1)NCCC	149186048	GWAGRPFDYSZVOL-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H]1CCCCC[C@@H]1CNCC(C)C	155867909	NGMGMJJEXZKSBD-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@H]1C[C@H](C)CC[C@@H]1CNCCC	155946053	SQDLDVSWLOFCIX-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](CCC(C)(C)C)CC1CCCCCC1	163356809	CHWJQSDWPPJXEJ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCCCC(=O)C1C2CC3CC(C2)CC1C3	164730512	PSHPPEMAJWSORV-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
FC1(Cc2ccccc2Cl)CCCCC1	220500665	QLZDWOQRXWKBON-UHFFFAOYSA-N	226.722	4.555	0	10	BJAE	
CN[C@H](CCCC(C)C)CC1CCCCCC1	229171887	QWSJHQXDZGJVQG-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc(N[C@@H]2CCC23CCCCC3)c1	230162357	KQEGUKKVENCLBP-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C(C)C)C2)c(C)c1	230985035	DPIJPFYSTZONMR-HZPDHXFCSA-N	245.410	4.930	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CCC(C)(C)C2)c1	232229194	OIECZXFQKXPPPN-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CC[C@H](C)c1ccc(Oc2cccc(F)n2)cc1	232341607	JUFQTOPIAPPROB-NSHDSACASA-N	245.297	4.527	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)[C@H](C)CCC	232904316	LQYSIVCFLJOWSW-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)Nc1c(F)cc(F)cc1Cl	233347964	XSXAYHJZYIVFSH-VIFPVBQESA-N	247.716	4.609	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)C1(CC(C)C)CCCC1	233349822	YRYWBFBDVZJVQF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)cc1	251392094	WSWPPJOZVFRJDP-RMRKRWHISA-N	243.394	4.801	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H]1C[C@H](CC)CCC1=O	252613679	XMSWTJVWTISUGA-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@H]1CCC[C@@H](C)C1	253047975	RGRSGRNFFIKDJI-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	253177371	AVVAUBCKXJLKMF-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCC1CCCC1	300813046	XTLJRTYACHNOMM-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@@H](C)C[C@H]2C)ccc1C	302278468	INXHAJOSJZWSGH-SUYBPPKGSA-N	245.410	4.794	0	10	BJAE	
CCc1ccc([C@H](N)CCC(C)(C)C)cc1CC	302354956	LQAQEJQZBBPCAE-MRXNPFEDSA-N	247.426	4.638	0	10	BJAE	
NC[C@H]1CCCCC[C@@H]1CCC1CCCCC1	305937102	KWEVRQNOGKXUOX-HZPDHXFCSA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@H](C)CC[C@H]1CCc2ccccc2N1	305950021	MTYIDQMQNQHDFX-ZBFHGGJFSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@H](C)N[C@H](CC)c1cccc(C)c1	310234739	RCXVVYZGWAGISJ-GOEBONIOSA-N	233.399	4.614	0	10	BJAE	
CCCN[C@@H](CC1CC1)c1ccccc1C(C)C	311235664	SZCLYYWTKLCZHJ-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](C)[C@]1(CNC(C)(C)C)CCCC[C@@H]1C	318724098	LHMXUMNZWLYAFD-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)n1ccc2cc(Cl)ccc21	319627812	PABKTTAFRRRTCK-SNVBAGLBSA-N	221.731	4.512	0	10	BJAE	
CCC[C@@H](Nc1ccsc1Cl)C1CCC1	322564755	RPVMGMWUWDQJBB-SNVBAGLBSA-N	243.803	4.782	0	10	BJAE	
CCC(C)(C)[C@@H](CC/C=C/c1ccccc1)NC	324102540	CUZPEGDEGSFSSJ-LRFDDAOPSA-N	245.410	4.504	0	10	BJAE	
Cc1ccccc1N[C@H]1C[C@@H](C)c2ccccc21	381298549	ZPAGIXLCFQRWEV-DYVFJYSZSA-N	237.346	4.655	0	10	BJAE	
CCC(CC)(CCCCCC(C)C)CNC	383263987	MERXCYURHUBZCY-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCCC1([C@H](O)c2ccc([C@H](C)CC)cc2)CC1	385192801	WAFXSOPAAWGSPI-CZUORRHYSA-N	246.394	4.814	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)C1CCC(CC)CC1	385522383	PRDRYWQKJWEEGC-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CC(C)C/C(=C/C1CCCCCCC1)[N+](=O)[O-]	393895857	WHYJGYYLFZNOLG-KAMYIIQDSA-N	239.359	4.554	0	10	BJAE	
CCC[C@H](C)/C=C(/CNC1CC1)C1CCCCC1	394085503	VPBCPSLOEBFVTA-QXPQOBGOSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@H](N)CCCCCC(C)C)c(C)c1	394861244	MAEOWPZYVWCUCE-KRWDZBQOSA-N	247.426	4.910	0	10	BJAE	
CCC[C@](O)(CCC1CCCC1)C(C)(C)C	395494105	OSIGCLIDIBQOHU-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCc1cc(CC)c2sc(SC)cc2c1	396162102	APACNYDIJJLPNL-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1ccc2sc(C(F)F)cc2c1CC	396167510	KSVQOINUOLTGJJ-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1sc2ccc(C)cc2c1C(F)(F)F	396293926	BGNKLFUEEIOUIH-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1c(S)sc2c(C(F)(F)F)cccc12	396313612	ZNOJWCGJDQWVDP-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCc1sc(C(C)(C)C)nc1[C@@H]1CC1(C)C	397680120	LRHBANQALCLLKV-VIFPVBQESA-N	237.412	4.517	0	10	BJAE	
C[C@@H](CC(=O)C1CCC(C)(C)CC1)C1CCC1	398617635	CXTHXPRIKBFPHS-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)c1cscc1C	400468987	PLDVWDLKLIKFMC-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CCCCCC[C@@H](CC1(C)CC1)NCCC	401415032	RDSJPFPWHPGCRJ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)C1CCC(C(=O)C[C@@H]2CC=CCC2)CC1	402256435	POODSEQEDVZVAR-QQFBHYJXSA-N	248.410	4.764	0	10	BJAE	
CCCCCNc1cccc(SC(F)F)c1	690180288	MAOPAZHVQDMTSC-UHFFFAOYSA-N	245.338	4.603	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)CC2CC=CC2)c1	692105468	HFWBHPWOXKTYPA-UHFFFAOYSA-N	242.362	4.523	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCC12CCCCC2	694383088	KNFPCOJEINAQBM-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)c1cc(C)cc(C)c1	695099541	OOHYPKXOBWYZKG-LSDHHAIUSA-N	247.426	4.779	0	10	BJAE	
CCCN[C@H]([C@@H]1CCCC[C@H]1C)C(C)(C)CC	701150987	LTXOUJGWSMKCNK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCN[C@@H](C)C1CCCCCC1	703953492	ANHNTIBHVFRQJI-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCCC12CCCCC2	704436000	MCSWZQFLWXWZIB-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@H]2CCCC23CCC3)CC(C)(C)C1	708293536	ATVAKRBMYXIVJB-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)CC1(C)CCC1	710245841	NFUQCDBFFWUJBH-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)CNC[C@H](C)[C@@H](C)C[C@H](C)C(C)(C)C	711125485	HYUIIHIHGQQFSF-KKUMJFAQSA-N	241.463	4.577	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1C[C@@H]2CCCC[C@H]21	712425520	QWVHSYWILGHXNI-YSVLISHTSA-N	243.394	4.801	0	10	BJAE	
O=C(CC1=CCCC1)[C@@H]1CCC[C@H]2CCCC[C@H]21	714501088	MVJLZVWKXLIEOB-BZUAXINKSA-N	246.394	4.662	0	10	BJAE	
CCSc1cccc(NC[C@@]2(C)CC2(C)C)c1	717147246	PHLWABJHURALTQ-OAHLLOKOSA-N	249.423	4.647	0	10	BJAE	
CC(C)=C(C)CCc1ccccc1OC(C)C	718648313	POQKXNMPFDMYEM-UHFFFAOYSA-N	232.367	4.763	0	10	BJAE	
C[C@@H](C[C@]1(CO)CCC=CCCC1)C(C)(C)C	718968349	GSPHEMOPPKGLHW-HOCLYGCPSA-N	238.415	4.558	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC12CC2)C1(CC)CCCC1	723181711	GWESKNMMBHWIDF-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1CC(C)(C)C1)NCC	723566315	FKLADEZNYWYJAV-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCN(CCC(C)(C)C1CC1)c1ccccc1C	1653743394	KBPSZEFAZZVTHA-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CC(=CCCNC(C)C)C[C@H]1CCC[C@@H](C)C1	1879519871	KRSZADLAZYHWQO-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@H](C)C[C@@H]1C	1902390135	IMFKKJDTJPZXGX-GMXVVIOVSA-N	237.412	4.547	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@H](CC)CCC	1905448126	XVFSFBWNPFZWPF-SOUVJXGZSA-N	228.420	4.780	0	10	BJAE	
C=CC=CCCC(C)(C)[C@H]1CC[C@@H](C)CC1=O	1911783826	HZZJXTXRFIXMAX-KGLIPLIRSA-N	234.383	4.540	0	10	BJAE	
CC1(C)CC(C)(CNC2CC3(CCCCC3)C2)C1	1912691572	VJDAJNPCHFDDHF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CCC[C@@H](C)C2)C=CCCC1	1916561612	BEBFNZRKCFYIEO-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1CCC[C@@H](C)C1	1925947094	YIXQVIIJZXDVIE-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
Cc1ccsc1C(=O)CCCCCC1CC1	1936421020	RVYANTDYSDBOJK-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
C[C@H](CC(=O)c1cccc2ccsc12)C1CC1	1940720324	NCLCLIPQMGGXCH-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
CC(=O)[C@H](C(C)C)C1CCC(C(C)(C)C)CC1	1941160323	ZQRSPPFQKWGHRG-NRXISQOPSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@@H](CC)C(C)C	1941273592	SNXHWFCDTRVECL-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](NCC1CCC=CCC1)c1cccs1	1941820526	BCSNWIILMYIGJK-AWEZNQCLSA-N	249.423	4.535	0	10	BJAE	
CC[C@@H](CN[C@@H](C)CC1CCCCC1)C(C)C	1941930279	YCDQJMVXYWZUPS-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@H](CCCCCC(C)C)C1CCC1	1942091542	TXVJIFBTQPNFAM-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CCCC[C@@H]1C(C)C	1942655363	IITDIWLCSYJAIL-XHSDSOJGSA-N	239.447	4.602	0	10	BJAE	
CC1(CC(=O)C(C)(C)C2CCCCC2)CCC1	1944640219	DLFUFURCWUOWOX-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@@H]1CCC[C@H]1C)C(C)(C)C	1944831399	KPVRJFKOZMYWOZ-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(O)CCCCCC1CC1	1947525929	PSWKGVLQNBKPOW-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CC1(CNC2CCCCCCCCC2)CCC1	1947882169	XKRSJTHZWBJUTK-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC(C)CC1(C(=O)CCC(C)(F)F)CCCC1	1948053008	WPZGELJWEMMXRX-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC1(C[C@]2(N)C[C@H](C)CC(C)(C)C2)CCC1	1948980764	BVEBXQXFSZUORX-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCc1cccc2ccn([C@H]3CC[C@H](C)C3)c12	1949497758	KZHXWXVNYKAXPZ-WFASDCNBSA-N	227.351	4.565	0	10	BJAE	
CCCN[C@H](CC1=CCCCCCC1)C(C)C	1949824697	CLIPIYPOVJWMGS-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCC2(CC2)C1)CC(C)(C)C	1950261987	GPDFVTQHKFDFOZ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@]1(CNC(C)(C)C)CCC[C@@H](C)CC1	1950926030	YWLXTCKSVOFAJE-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](N[C@H]2CCCCC23CCC3)CC[C@H]1C	1967700192	VLOLOAOBMWJNNL-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1NC[C@@]1(C)C=CCCC1	1967836864	JWWQWERBCUVXQB-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
F[C@@H]1CC[C@H](CNc2ccc(C3CCC3)cc2)C1	1969958168	BSYZUZNWWDLBLY-SWLSCSKDSA-N	247.357	4.504	0	10	BJAE	
CCC(C)(C)CCN1CCCCCCCCC1	1970126261	QXVCWLAKQPMDDJ-UHFFFAOYSA-N	239.447	4.859	0	10	BJAE	
CCC[C@@H]1CCCN([C@@H]2CCC3(CCCC3)C2)C1	1970705356	PIAYUQVLRKAJKD-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cc(C)ccc1Cl	1976010113	HMABQTUOJCGBJM-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CC(C)c1csc([C@@H]2CCC[C@@H](C)CC2)n1	1976348573	CZERRSJZJJMWLX-VXGBXAGGSA-N	237.412	4.950	0	10	BJAE	
CCCN[C@@H](CC)C1CCCCCCCC1	1980334409	OGEIRALDQXXMRU-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC=CCCCC(=O)c1ccc(Cl)c(C)c1	1984580279	ODCDSXJBMXBWEU-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCCCCc1ccc([C@H](N)[C@@H](C)CC)s1	1991771774	LWCNBXNGLUIHSJ-SMDDNHRTSA-N	239.428	4.527	0	10	BJAE	
Cc1cc(C)c2c(C(C)(C)C)coc2c1C	1995463379	JGSZFZPNGRZDKA-UHFFFAOYSA-N	216.324	4.656	0	10	BJAE	
CCC(CC)CCN[C@H](C)C1CCC(C)CC1	1996556649	YXNXEMVOVOFCKM-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1csc2ccccc12	1996613887	XGCHDHIIXLQSPK-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CC(C)CCCCCC1(N)CC(C(C)(C)C)C1	1998237918	BCIDHVHBRIBJBL-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)C1CC(C)(C)C1	1998649675	MQWASFHSWYNSJH-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H](C)C1CCCCC1	2000192722	ZIEVEXWMSBXSTO-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CC1=CCCC1	2000378990	JTEQFZQKPSXXHP-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC([C@](C)(O)CC2(C)CCC2)CC1	2001134796	ORBFRGLYNCEFRR-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1CC1(C)CCC1	2001153945	OJQQMYZGYVBVSR-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](C[C@](C)(N)C2CCCCC2)C1	2002921011	KOJAAJMHMOHXJO-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@H]2CCCCCCC2=O)C1	2003115709	CSQRAPZNAZDLPH-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
O=C1CCCCCC[C@@H]1CCCCCC1CC1	2003119836	WUXOMLZMCPEVSI-OAHLLOKOSA-N	236.399	4.886	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1(C2CCC2)CC1	2004531010	QHQFBXAKSQGRBI-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CCC(C)(C)C)CC[C@@H]1C	2006959803	WSAKULXFQZQYNN-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(CF)cc1	2007027335	SLQMSCPKSXECGS-UHFFFAOYSA-N	237.362	4.784	0	10	BJAE	
CCN[C@H](C(C)(C)CC)C1(C)CCC(C)CC1	2007691303	CEGDTZRDGVSENN-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@H](O)C[C@@H](CC)C(C)(C)C)C1	2007758040	BLGMSIAEOTYXQO-CVSAEHQPSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@@H](C)C(C)(C)C	2007947190	ZELXHSRGWMRTNI-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CCC[C@@H](CC)CC1	2009568278	AWVYVUWZRJRGQD-CABCVRRESA-N	236.399	4.908	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H]1CCC[C@H](CC)C1	2009593475	BHNQITJVWRTNNW-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H]1NCC[C@]12CCCC(C)(C)CC2	2009772094	NZVNDZFOYAULLW-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)C)C1=CC[C@@H](C)CC1	2010625916	WPEJPXVUUOWXJH-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)C1=CCC(C)(C)CC1	2010725082	GCLZOSCXCUKZMD-UKRRQHHQSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@]12CCC[C@H]1C2	2011018324	ZPHWKVYDDFZCGU-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011976028	XWKJNXNGMPYDJM-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H](C)C1CC2(CC2)C1	2012414162	WTIFTOLLKULWBO-NSHDSACASA-N	249.785	4.639	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC12CCC(CC1)CC2	2012811958	FKLAHUSSVKDKDB-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H](N)CCCC12CCC(CC1)CC2	2012835390	CWZXDNUQQKVNCH-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1CCCC[C@@H]1CC	2013530462	JBTIJBXWFVTANG-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC1([C@H](N)CCC(C(C)C)C(C)C)CCC1	2015361149	PWSHMMXBALQWMC-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(CC(=O)[C@H]1C[C@H]1C(C)(C)C)C(C)C	2015377601	RTBSEOMWMXDDPE-UONOGXRCSA-N	238.415	4.556	0	10	BJAE	
CC(C)C(CCN1CCCCC1(C)C)C(C)C	2015391808	GPRQYIWFTPEMDT-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(N)CCC=C(C)C)C1	2016114533	IBMIIXMICXAFEP-PMPSAXMXSA-N	237.431	4.667	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNC(C)C)CCC[C@H]1C	2017467303	VJYLOQFPMOAVRE-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@H]1CCCC2(CC2)C1	2017709622	IEQCPWBMVMJQGI-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@H]1CC[C@H](CCC)CC1	2017776963	WUSQXIWCYGTRFP-RBSFLKMASA-N	238.415	4.988	0	10	BJAE	
CCCCCCN(C)[C@H]1CCC[C@@H](CC)CC1	2019290529	KEFFHGBRZSTBKV-CVEARBPZSA-N	239.447	4.857	0	10	BJAE	
CC=C(CC)[C@@H](O)C1CCC(C(C)(C)C)CC1	2020973509	GGRFFAVQMFCGDG-YMAMQOFZSA-N	238.415	4.556	0	10	BJAE	
CCCCCc1ccc(C(=O)C(CC)CC)o1	2021518845	JNUYFSMHCTXTPS-UHFFFAOYSA-N	236.355	4.631	0	10	BJAE	
CCC[C@H]1C[C@H]1Cn1ccc2ccc(Cl)cc21	2022548706	ADYVWTYCBGREGG-STQMWFEESA-N	247.769	4.731	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](C=C1CCC1)NCC	2022672993	OMVOFPWOYUDDEP-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](C)C[C@H]1NCC	2023617205	RDVYLWSPSUJLNG-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@H](C)CC(C)C	2026165368	AVCJCBWDUJAPEH-ARFHVFGLSA-N	241.463	4.993	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)c1ccoc1C	2027301961	OUTMZAWNZXANCI-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CN[C@H](C[C@@H](C)C1CC1)c1ccccc1C(C)C	2027627026	SYTVLCRYKLMOPV-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CC(C)CCC[C@]1(CNC2CC2)CC=CC[C@@H]1C	2027925856	IHLYZGICYAVGRP-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CNC[C@]1(CC2CCC=CCC2)CCC[C@@H](C)C1	2028869376	GYHOOWBSANBOCA-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)NC[C@H]1CC[C@@H]1CC1CCC=CCC1	2028875018	BOIYEAJNBPMQLM-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)C[C@H](C)c1ccccc1	2029835669	HJTBMMTUZBTDTM-YQQAZPJKSA-N	248.410	4.613	0	10	BJAE	
CCCC[C@H](N[C@H](C)[C@@H]1C[C@H]1C)c1ccccc1	2029889362	XLVGXGVVHAYUKZ-SRABZTEZSA-N	245.410	4.552	0	10	BJAE	
CC1(C)C2CCC1(NCCCCCC1CC1)CC2	2033411205	BNQXNLXCYGKFSV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(NC2CC(C3CCCC3)C2)c1	2033783003	OLYPRCJUROJBJU-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C2=CCCCCCC2)C1	2037074281	JAEIKRBDYQKHAZ-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC1([C@@H](N)CCC2=CCCCC2)CCCCCC1	2037174552	KMUJXWUPGIJCPF-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@]1(N)CCC12CCCCC2	2037178946	CZCDXWMFKJSAPJ-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CN([C@H]1CCC(C)(C)C1)[C@@H]1CCC2(CCCC2)C1	2037671206	BWDXRMWSHOSSFC-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc(C)c2[nH]c(C3CCCCCC3)nc12	2038004620	JSGUKSNVKLOUGI-UHFFFAOYSA-N	242.366	4.618	0	10	BJAE	
C[C@H]1CC[C@H](C)c2[nH]c(C(C)(C)C(C)(C)C)nc21	2038006122	AXLBJLLPEHJYET-QWRGUYRKSA-N	248.414	4.734	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N)(C[C@H]1CC1(C)C)C2	2038895441	PUZHBDRBXGLLTA-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2C=CCCC2)CC1	2039374264	GIHUYPJMBARZRP-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CCC(=C[C@H]1C(C)=CCC[C@@H]1C)CNC(C)(C)C	2039433326	BEUUXXXAFIAFQQ-HOCLYGCPSA-N	249.442	4.703	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)C[C@H]1CCC[C@H](C)C1	2039433986	GJUUNWVDQDKRCT-JVNPIMRCSA-N	249.442	4.523	0	10	BJAE	
C[C@@H](N[C@H]1C[C@@H]2CCC[C@@H]2C1)C1(C)CCCCC1	2039860881	ZMQJRJGIVHFXDD-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC[C@H]1CC1(C)C)C1CC=CC1	2042024899	QEWBVVBTYBOKAL-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1NC[C@@]1(C)CC=CCC1	2042068637	ZNZCJADPVGIUQH-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NC[C@]1(C[C@H]2CC2(C)C)CC=CCC1	2042092911	AUJSNFPGAHZPHM-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)(F)CCCNc1ccc2ccccc2c1	2043788747	DVVREYHAXUQMDR-UHFFFAOYSA-N	245.341	4.780	0	10	BJAE	
CC1(C)CCC[C@H](c2ccc3c(c2)NCCC3)C1	2045509428	YPXKFYKVTFWLDR-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
CC[C@H]1C[C@H]1CC1(N)CCC2(CCCCC2)CC1	2045656478	BDEACQNUPWIWJU-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCNCC1(C[C@@H]2CC23CCCCC3)CCC1	2047007467	IOAGNQFHFRZSKD-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1[C@H]2CCCCC[C@H]21	2048364564	ZNFICSRVMVRFLJ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC([C@](C)(N)C[C@H]2CC=CCC2)CC1	2049420802	VVNHZUNASHYRLB-ODZFXCKXSA-N	249.442	4.667	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@H]2CCC[C@H](C)C2)cc1	2049538522	ZLLBMKPQJYCHAY-LZWOXQAQSA-N	245.410	4.876	0	10	BJAE	
C1CCCCC(NC2CCC3(CC2)CC3)CCC1	2049670571	VSBJAEXOUIUKOB-UHFFFAOYSA-N	249.442	4.802	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2CCC3(CC3)C2)CC1	2049848202	HSKQTKSBBUZFBC-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NC[C@@H]1CCCC2(CC2)C1	2049852666	FMBKTSHKWHPAKW-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C[C@H]2CCC3(CC3)C2)C1	2049935708	LTLHYCYBRMPIEE-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(F)cc1NC1C2CCCC1CCC2	2050041442	IEHQRSMIVKFOGK-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC(C)NC[C@]1(C2CCCCC2)CCCC12CC2	2053368224	YKLLHRNFQFONTD-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
N[C@H](C1=CCCCCCC1)[C@@H]1CCCCC12CC2	2053416004	NRISDLPYLUEPMP-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CN(CCC1CCCC1)[C@@H]1CCCCC12CCC2	2053433360	FRPHEZXFVNDASK-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H]1CCCC[C@@H]1C	2056879957	XZKMWRFRZLJDTI-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H](C)c1ccccc1	2059224407	AGYHMRLQSNIDAU-DOTOQJQBSA-N	245.410	4.515	0	10	BJAE	
CCCCCC1CC(NCC23CCC(CC2)C3)C1	2059395563	MPPIOKBRUCRNNU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@H]1[C@@H]1CC12CCCCC2	2059469463	JNYVYJIQNOBUQE-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C1=CCC(C)(C)CC1)C1CCCC1	2061089037	QJGNRYMJVJVYBU-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(NCC[C@]23CCC[C@@H]2C3)cc1C	2061573160	VYPRAMNPXBNAGF-WBVHZDCISA-N	243.394	4.550	0	10	BJAE	
CC=CCCCN[C@H]1CC[C@H](C)c2ccccc21	2062365449	JJEMTQQIRNKINL-YOEHRIQHSA-N	243.394	4.571	0	10	BJAE	
CC(C)c1ccccc1[C@@H]1CC(=O)CC(C)(C)C1	2063727386	VVAURRJJPXVRTH-CYBMUJFWSA-N	244.378	4.673	0	10	BJAE	
CCC1(CC)CC(NCC23CCC(CC2)CC3)C1	2065258067	NDZGKWWEWXNPQO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCC[C@H]1CC12CCC(CC1)CC2	2065278925	DGMNTJJASOKXEN-CKDBGZEDSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CC=C(C2(N)CC(CC(C)(C)C)C2)CC1	2067987685	CAQZTMDUJMOBTC-TUBUQKNSSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2C[C@@H]3CC[C@@H]3C2)C1	2068709743	DKNWZYZUJNAAQY-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]2CC[C@@H]2C1	2068807159	IGDKAVJCEQTAPM-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC[C@H](C)C(C)C)c1ccc(C)cc1	2069014670	BGIISEZMSSTZDG-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCCCC12CCC2	2070398191	LBQSDUKKGAPEMW-HOTGVXAUSA-N	249.442	4.824	0	10	BJAE	
CC(C)c1ccc([C@H](C)NCC[C@@H]2C[C@@H]2C)cc1	2071481557	YCKUUWCOZZCBIA-GRDNDAEWSA-N	245.410	4.507	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC[C@H]2C2CCC2)c1	2071786027	LHIUQDAXFQDAKE-IRXDYDNUSA-N	243.394	4.801	0	10	BJAE	
CC(C)C1(C[C@@]2(N)CCCC23CCCC3)CCC1	2071953715	OQQZSTKPHBNLGM-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]2C[C@@H]12)C(C)=C(C)C	2072418757	VMBKTEPYVOOCOZ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C2=CC[C@@H](C)CC2)CC1	2072703052	UQRGKTGHUDYYID-SRABZTEZSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(N)C[C@H]3CCC[C@@H]3C2)CC1	2072805974	HMXGYTAUQQHAQR-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=Cc2ccc(N)cc2)CC1	2072818578	NYFSCJVWZNZQKE-UHFFFAOYSA-N	243.394	4.889	0	10	BJAE	
CCCN[C@H](CCC1(CC)CC1)c1ccccc1	2074625898	FWUDTBYGWDGDMR-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCCC1(C[C@H](CC2CC3(CCC3)C2)NC)CC1	2074645666	DJPIMPZAKZVABH-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)N(C)CCCCc1ccccc1	2074994154	VRCJYZVUJHFUOH-QGZVFWFLSA-N	247.426	4.520	0	10	BJAE	
CCC[C@H]1CCC[C@H](N[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2076577551	ZXKGLGPADJIYGW-KSWRQPAISA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1Nc1ccccc1C1CC1	2077264765	ZROPSRZSDDVMJR-BBRMVZONSA-N	243.394	4.945	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]1C1CCCCCC1)C1CCCC1	2079842631	OZEYLKTZGRUJBK-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
CCNCC1(CC=C2CCC2)CCC(C)(C)CC1	2081684079	PVHANVZCQBOZRR-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2083040208	CQADPADBPBVAFB-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)C1=CCCCC1	2084990124	UVPDQVVNMJSENF-VMBOVVBDSA-N	249.442	4.681	0	10	BJAE	
Clc1ccsc1-c1ccnc2ccccc12	2208615187	VXTSIBXREOKYAA-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CCCC[C@@](CC)(CN[C@H](C)CC)C(C)C	2212577034	SGFIMQDDLTYDQP-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213281652	IVFVEOWQHLZWEJ-UNRWJOCCSA-N	234.383	4.518	0	10	BJAE	
CC1CC(C[C@H](N)CCCCCCC2CC2)C1	2213576161	NHWHFHUQUQJBDC-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@@H](O)CCCCCCC2CC2)C1	2213581017	RPDPVNJJOJZNLA-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(CC=Cc2ccccc2)ccc1Cl	2213822839	LYBWGILUZSDNIU-UHFFFAOYSA-N	242.749	4.904	0	10	BJAE	
CCc1cccc(CC=Cc2ccccc2)c1	2213825443	UHOPXWNQPASEHP-UHFFFAOYSA-N	222.331	4.505	0	10	BJAE	
CC1CCC(CC[C@@H](N)C2CCCCC2)CC1	2214781731	ZGRUURPQAHVEMJ-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC[C@H]1C[C@H]1CC	2215242630	AGLADPDPWASSIA-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)C1(C)CCCCCC1	2215257477	WBYNNMVFLGHSKX-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CC[C@@H]1C[C@@H]1C)CC1CCCCC1	2215294813	SDJSWQWACYGOAK-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)NC[C@@]1(C)CC=C(C)CC1	2215823317	HOGLSNKWSNFAHE-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC1(C)C[C@@H]1[C@@H](O)CCCCCCCC1CC1	2216890451	GHKZUUZVBFOOOU-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)NCC1(C[C@H](C)C(C)C)CCCC1	2217150904	PRGWWWXGAYMEAD-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@]1(CN[C@@H](C)CC)CC1(C)C	2217153353	LGDQPLXJQYKROT-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CC(C)(C)C)CCC1(C)C	2217155462	CKRPRWUXTJRRCY-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H](C)CC)CCCC1(C)C	2217155878	GKBMESGMLDQSKF-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CC)CC1(C)CCCC1	2217157642	UQEGQWYAXVMHEI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@@H]1C[C@H]1C1CCCCC1	2220043660	BAKBIPOEBCVKAQ-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C12CCCC1CCC2	2220047053	VTYJBKWPFBFHIG-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@H]1C[C@@H]1C1CCCCC1	2220963485	SPFILKBHFLVYHM-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C1(C)CC2(CCC2)C1	2221002549	PVWNUSMKNUKINX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CCCCC[C@H]2C)CC1	2221637604	IOKXDXPMNZACCB-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)c1c(C)cc(C)cc1C	2222006592	MURZLCBEEKIGEI-PXAZEXFGSA-N	247.426	4.612	0	10	BJAE	
CC[C@]1(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCN1	2222976000	CBXGKOSRXWWZQI-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNC2CCC2)CC12CCCC2	2223605130	VCRMLHGBUHRLKO-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNc1ccc(Cl)cc1	2243008747	NHLIFGNWOAGTFQ-VXGBXAGGSA-N	237.774	4.578	0	10	BJAE	
S=c1cc[nH]cc1-c1ccc2ccsc2c1	2246126209	ZZQHXSOWERQDSO-UHFFFAOYSA-N	243.356	4.626	0	10	BJAE	
CC(C)CCC[C@H](N)CC[C@@H]1CCC[C@@H](C)C1	2246697451	XEYUTYJBPXBUKW-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)CCC(C)(C)C2)C1	2246733109	PTILWCLWVOJQFL-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)C1(C(C)(C)C)CCC1	2247384694	JAOZNORWYSRRIC-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
C1=C(Cc2cccc(C3CCC3)c2)CCCC1	2247506291	CBXBZIDYUNLENX-UHFFFAOYSA-N	226.363	4.997	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)CC(C)(C)C	2250468568	FIMOYRZWZUEFLR-LSDHHAIUSA-N	241.463	4.993	0	10	BJAE	
Cc1cccc(-c2nc(C(C)(C)C)c(C)s2)c1	2252743017	UZRYRLFZTQLAFE-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
CCc1ccc(NCCCC[C@@H]2C[C@@H]2C)cc1C	2254541980	CZKLJBGKVHPKGO-XJKSGUPXSA-N	245.410	4.796	0	10	BJAE	
CC(C)(C)[C@@]1(CC[C@@H]2CCCC23CC3)CCCN1	2255324553	YNEVPIFYMCZGPL-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CC(C)(C)C1(C)C	2256142720	VPVSBBIYSCDTII-ZDUSSCGKSA-N	249.373	4.625	0	10	BJAE	
CCC[C@@H]1CNCCC1=CCCCC[C@@H]1C[C@H]1C	2257253585	CPYXJLJTYXYBHA-DJIMGWMZSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cccc(C2(C)CC2)c1	2259434616	DEHXATLTINXNJJ-CZUORRHYSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](C[C@@]12CCC[C@@H]1CC2)C1(C)CCCC1	2260616343	ZLDCEJWTFUKRMM-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC[C@@H]2C[C@@H]2C)CC1	2298135320	XRKFAUUEQYRMMN-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H](O)C1CCCCCCC1	2298917801	WYUUVVIWQOYHJO-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@](CN)(CC2CCCCCC2)C1	2301139550	HKEHDBULVFUVAU-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)CC1CCCCCC1	2301140227	NEEXUAHEZNOQTR-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C1(C)CCC1	2301148610	XALKIBLBQXOEOI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1[C@H](C(=O)CCC2CCCCC2)CC1(C)C	2302080787	VDGNRVAFMMEQEW-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1[C@H](C(=O)CCC2=CCCCC2)CC1(C)C	2302136106	QIVLJQRMSPYVPV-TZMCWYRMSA-N	234.383	4.518	0	10	BJAE	
Oc1cccc(SCCCC2=CCCCC2)c1	2302354506	RUJHTNDRUXJCGK-UHFFFAOYSA-N	248.391	4.765	0	10	BJAE	
C[C@H](CC[C@@H]1CCCC[C@H]1N)C1CCCCC1	2302506069	DPKKDEGBAIYEFY-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](CC[C@@H]1C[C@H]1CC)NC	2303587865	QNPFOUJGOXYSGI-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC[C@H]1CCC(C)(C)C1	2304360040	PKMQIBGDRUHGSI-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(C)(C)C[C@@H]1CN	2307825765	FJFCGNHHZJENCR-RRFJBIMHSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)C1(CC)CC1	2307896104	YGONHQZYAKQGNY-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](N)c1ccc(C)cc1	2307907521	CRGQQEWZTFUPQU-ZBFHGGJFSA-N	233.399	4.601	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@H](C)[C@@H](NCC)C1	2307908859	RPNHLHWNCHBBJX-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1C[C@@H]2CC[C@H]1C2	2308583588	MSLFRXXHZDXZQW-TWMKSMIVSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312904682	DVZTWPPUGCMLRW-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2316503369	PKMFMBNEBHNWCV-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC=C(C)CC)c1ccc(F)cc1	2316557742	RERJLWPIKVNTDI-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CN[C@H](CC=C(C)C)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316879125	QWUIHSHFKOCKSJ-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
N[C@]1(CC2CCCCCC2)CC[C@H]2CCCC[C@@H]21	2316883884	JLQUJPYWURSFRB-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)n1ccnc1C1CCCCC1	2317829066	WRHYXOAFGCEZNR-ZIAGYGMSSA-N	248.414	4.784	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCN(C)CCCC1=CCCCC1	2318580210	XVQTYDYFPZLPLR-WBVHZDCISA-N	249.442	4.635	0	10	BJAE	
C[C@]1(CCC[C@@H]2CCCCC23CC3)CCCCN1	2318840969	IUBFTFXHOSTMPH-JKSUJKDBSA-N	249.442	4.659	0	10	BJAE	
C[C@H](C[C@]1(N)CCCC[C@@H]2C[C@@H]21)C1CCCCC1	2319236289	AUSZTOUVLSEUTP-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@]12CCCC[C@H]1C2	2320219056	GFXQPVTXRKIWGW-ZOMKSWQUSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)C[C@]12CCC[C@H]1C2	2320314971	ZGFYOQXXSCUGGA-IARIHHJXSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CC(C)(C)CCNC2CC2)CC1	2320391959	YZVLOXRERKWENF-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C[C@@H]2C=CCCC2)c1	2320518833	XIUVKYLCJOQOOV-PBHICJAKSA-N	243.394	4.556	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@H]2CC[C@H](C)C2)c1	2320573670	BEVSDZVEBIIGBK-KBPBESRZSA-N	244.378	4.819	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C[C@H]1CC2(CC2)CN1	2321348124	DRQKFPWRMIFNIM-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2CCC23CCC3)C1	2321636464	IXPVWMAMVDVJJY-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cc(C)ccc1C(C)C	2327677163	GEODYGZNBOFPKM-MRXNPFEDSA-N	248.410	4.978	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CCc2cc(C)ccc2N1	2328279357	VDPLQHIOWQLSDF-ZBFHGGJFSA-N	245.410	4.938	0	10	BJAE	
Cc1ccccc1[C@@H](C)Nc1ccc(Cl)cc1	21518268	ARSHOARKRQOGHB-GFCCVEGCSA-N	245.753	4.822	0	10	BJAE	
CCC[C@H](N)c1ccc(-c2ccccc2C)s1	36666779	AHMSMLXFZNKLKQ-ZDUSSCGKSA-N	245.391	4.523	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H](C)C1CCCCC1	37294632	YFRFOKLXVIEVLU-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
CCSc1ccccc1N[C@@H](C)c1ccco1	37779099	MSKGHDIBHPWQCQ-NSHDSACASA-N	247.363	4.565	0	10	BJAE	
Clc1ccc(-c2coc3ccccc23)cc1	59958781	IFFZKSICBXBHSI-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
CCC1CCC(C(=O)C2CCC(C)CC2)CC1	85078803	CDXSNQAMWXDGDY-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CCC)CCCN1	85700250	PNIWOFHIMRCVSE-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CC[C@@H](CC)C2)CC1	88010373	CERVZWZWSPXUIZ-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCc2cc(CC3CCCCC3)ccc2N1	97863426	AFLMWNKQELEBOU-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)C1CCCC1	109899511	GLFCSZDPXDIOFM-CYBMUJFWSA-N	231.383	4.548	0	10	BJAE	
CCCCC[C@H](NCCC)c1cc(C)oc1C	110227649	NRHLCHKNFZBCJV-HNNXBMFYSA-N	237.387	4.517	0	10	BJAE	
CCCCC1CCC([C@H](O)CCC2CC2)CC1	127065258	HLGTVKMPKRFPNZ-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H]1CCCCC[C@@H]1CNC(C)(C)C	131058214	QWALQSPZVRESLI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1cc2cc(C)ccc2o1	135551713	PTNDWWPQZIDMKN-BXUZGUMPSA-N	246.350	4.601	0	10	BJAE	
Cc1ccc(-c2cccc(C(F)(F)F)c2)s1	147509157	QKWWDZSMCREKLW-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
CC(C)c1ccc(OC2CCCCCC2)cc1	149500760	VCQZFLHXYGUFDS-UHFFFAOYSA-N	232.367	4.912	0	10	BJAE	
CCCCCC(C)(C)CNc1cc(C)cc(N)c1	165897556	RFLFNCFQMGAKPQ-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
CCNC[C@H]1CCCCC[C@@H]1CCCC(C)C	166353271	UWCVKOQJELPEMY-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H](CC)CCC)CC1	226538121	QLTIABSIHFPQCC-OAGGEKHMSA-N	239.447	4.904	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@@H]1CCC[C@@H](CC)C1	226998858	GKZDDKFCXYRDIL-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(/C=C\CCNC(C)(C)C)CC1	227227819	NGOAETJJXMBNGS-VURMDHGXSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC1CC1)CC1CCCCCC1	229556437	WMHFSHMIBUMCEH-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@](O)(C2=CCCCCCC2)C1	232817895	INCICDDTVYCSBM-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](N[C@H]2CCC[C@@H](C)CC2)CC1	300562135	CHNGRINWKJXXEQ-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cccc2ccsc12	302482301	YUOIKYHSTZVGRJ-BXUZGUMPSA-N	248.391	4.761	0	10	BJAE	
CC(C)(C)CCC[C@H](N)CCC1CCCCC1	305917393	KSXJXGIEDVLWDV-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CCC1CCCCC1)CNC(C)C	305927252	JAVBMJQTMAYAMM-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCOc1cc2c(Cl)c(Cl)ccc2s1	306560975	SFQGWUXCSPMCOG-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
Cc1cc2cc(C(F)F)cc(Cl)c2s1	307660368	UILCEASBRWXXRX-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)CCCCCC3	307983637	IZKIKBGGGIRRLW-UHFFFAOYSA-N	241.378	4.950	0	10	BJAE	
CCCC[C@@H](CC)CNC(C)(C)C(C)(C)C	309326827	IGEHVIWWHGLPCY-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCc1ccccc1NC[C@H](C)C(C)(C)C	310216548	IPDOCKKADQTNJA-ZDUSSCGKSA-N	233.399	4.733	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C[C@H]1CCC[C@@H](C)C1	310518669	NAYGZOIXWCTFTI-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1N[C@H]1CCCC12CCCCC2	313131126	YNZSEHDHDPXGCO-INIZCTEOSA-N	243.394	4.910	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)CC2=CCCCC2)c1	313418824	PGTMKVHZIMKSGE-UHFFFAOYSA-N	248.753	4.722	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)c1ccc(C(C)(C)C)cc1	319074353	ZCEZQJYNPPXDGA-XEZPLFJOSA-N	247.426	4.666	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1NCC1=CCCCC1	379577204	BQTHORFFSQWDKL-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H]1CCC[C@@H](CCCCCC(C)C)C1	383152822	HVVSIFIYNBAWCZ-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCNCC(C(C)C)C(C)C	383282633	PIUISLGSATVGIX-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@@H]2CCCC23CCCC3)C1	385729953	KKCDUEARNASRIW-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(C[C@@H]2NCC23CCCCCC3)CC1	394571891	MGXMPGUGKCHQRU-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CCC[C@H](NCCC2CCCCCC2)C1	394572232	MLTQQPSMYTXSCD-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@]1(CC2(C)CCCCCC2)CCCN1	394661563	DUNUIXBQOAPABH-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](O)C(C(C)C)C(C)C	394859039	KDSUNUZVEDQORC-HNNXBMFYSA-N	242.447	4.882	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C(C)C)C1CCC1	395126678	OOOBRLWJTCCNSF-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H]1CCC[C@H](C)C1	400478574	VKYYKSSSJSJGHB-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](N)CCC2CC2)cc1	400770267	BYLIMEDDTCNNJX-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H](NCC1(C(C)C)CCC1)c1ccccc1	687269192	RIKAOJRPZWXDOW-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CCCC1CCC1	688361567	UWWSOTSHKFHSLM-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCCC1CCCC1	691190795	WSICESYUVSTRSK-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@@H](C)C1CCC1	692730223	IFUCBJJWBORCII-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@H](N[C@H]1CCC12CCCC2)C1CC1	693792247	CYHZOHIICKNLGU-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H]1CCCCC[C@@H]1C	695058362	DOZXZSVZCFHOJZ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)C(C)(C)CC)CC1	695098680	MPXFTDQGLPWWJK-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CCCC3(CC3)C2)CC1	695918316	QIVOGPGDYVCJJD-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC)CCC(C)(C)CC	696800142	RVXSQDIANOLQPM-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CN[C@H](CCC=C(C)C)CC1CCCCCC1	697759902	WPVVBXNXGJMGPX-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCNC[C@H]1CCCCC[C@H]1CCC=C(C)C	697775518	ZPUKKAMOUASUIL-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC[C@@](N)(CCCCCC(C)C)C1CCC1	705301277	DOSVUAVFWSNNEU-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@@H]1CC2CCC1CC2	707608469	PWAZKBFCTQCEKN-MHVXSEJMSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)CC1=CCCCC1	708425378	SXTNDDRNXWOSFV-UHFFFAOYSA-N	248.753	4.722	0	10	BJAE	
CC[C@H](CC(=O)c1ccsc1C)C(C)(C)C	711174783	DXBZWLMUIUUXFH-LLVKDONJSA-N	238.396	4.702	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1cscc1Cl	711523101	MTDXWYUHIQAFOY-LLVKDONJSA-N	246.803	4.651	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C(C)(C)C(C)(C)C	713140325	MLCKLSJCXKQKLG-CYBMUJFWSA-N	241.463	4.863	0	10	BJAE	
CC(C)CNC[C@@H](C)[C@@H](C)CC(C)(C)C(C)C	713209178	HDXYDKBKRMVQFE-LSDHHAIUSA-N	241.463	4.577	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@@H]1CC(C)(C)CC	713269713	SCWHXQLYOPAYEY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(CC(C)(C)CC)CCC[C@H]1C	713338799	IVLULJQJHJHNLK-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C\CC[C@H](O)c1cccc(C(C)(C)C)c1	713680086	CYFJBRBMZXRINN-WLMCBFPDSA-N	244.378	4.540	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@@H]1CC[C@H]2C[C@@H]21	716902330	UXGDQSSUBIMPHG-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@]1(N)CCCCCC1(C)C)C(C)(C)C	719226804	ZSXOFFDBVNRNFI-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC[C@@](O)(CCCC(C)C)CC1CCCCC1	720985623	BVCUIIHJSKBRMH-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(CC)C(=O)CC(C)(C)C(F)(F)CC	721755269	QFGCXTXCAYOMTG-UHFFFAOYSA-N	248.357	4.843	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C[C@H]1CC12CC2	723184017	XMRQBVLOGBDLBR-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CSc1cccc(N[C@H]2CCCC3(CC3)C2)c1	723603561	MLUZWBLZGLRMQO-ZDUSSCGKSA-N	247.407	4.543	0	10	BJAE	
CC[C@H](NC[C@H]1CCC=CCCC1)C1CCCC1	1308974046	CVMKYKBXMHJUFO-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H](C)SCc1cccc(Cl)c1F	1652685605	CUGXJSZQQZVJFK-SECBINFHSA-N	246.778	4.757	0	10	BJAE	
CCC(CC)CC[C@H](N)CCC1CCCC1	1900701652	MRWBUOJMBJUJOZ-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)Nc1cccc(C(C)C)c1F	1905170299	YPNSRVPTUJBFQA-UHFFFAOYSA-N	223.335	4.550	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H](CC)CCC	1905364077	QVICIYUTONJNPZ-LSDHHAIUSA-N	227.436	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)c1cscc1C	1905448968	ZMAKOCOHDWGIFN-JSGCOSHPSA-N	239.428	4.533	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@@]12CCCC[C@@H]1C2	1909883264	OLVPWJYRWLTETO-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@@H](C)CC(C)C	1911923831	MRKSKJGUPJGUMP-JKSUJKDBSA-N	237.431	4.559	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C1CC2(CCCC2)C1	1912705016	WEGNFJZWTVEGSN-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCF)C[C@@H](C)CC(C)(C)C	1913269234	ARCOVIXNCIJSLE-KGLIPLIRSA-N	245.426	4.567	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(CNC2CC2)C=CCCC1	1916562853	HJTKQYSNDMABLT-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)c1ccc(C(C)C)cc1	1919969151	HELPGXMCAHQUML-RHSMWYFYSA-N	248.410	4.844	0	10	BJAE	
CCCCCC[C@](C)(O)Cc1ccc(CC)cc1	1919972637	ITLRXWBUQKQWBT-KRWDZBQOSA-N	248.410	4.513	0	10	BJAE	
CCCCCC[C@@](C)(O)CCCC(C)(F)F	1919978477	ZBGXDRXXXGFDMI-GFCCVEGCSA-N	236.346	4.533	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](O)C1CCCCCCC1	1921537445	XKSYNGWBTKSHEX-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCc1cccc(C(=O)[C@@H](C)C2CCCCC2)c1	1924099517	RWMNXHQWZAQNFM-ZDUSSCGKSA-N	244.378	4.648	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)CC1CC(C)C1	1925138594	CYRZXMFXNXOIGX-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCNc1cc(F)c(C)cc1F	1926159275	IPXKAFGGEUZTAC-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
CCN[C@@H](CCC[C@H]1CC1(C)C)CC(C)(C)C	1940871261	AZAZRUCWXDTDPG-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CCCCCC1CC1	1941581065	GUFBXBJLKBVCNT-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(CCCC2CC2)C1	1941583692	IHDPEHIXZBVUSL-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CCCCCC1CC1	1941586364	YKYFPUIVWRQRGO-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@@H](C)C(C)(C)CCNCC(C)C	1942662868	OKDPJKKATCMGCR-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
CN[C@H](CCCCCC(C)C)C[C@@H]1CC1(C)C	1944748432	ZYEVQUBTOFVEKV-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(O)CCCCCC1(C)C	1944854635	ZMHMPUZXJYTIJP-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CNC1(C2CCCCC2)CCC1	1945278705	NFFPFLPUZICVRY-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)C1CC(C)C1	1948145789	BHCGTFKVNLFQND-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	1948584323	DBWYUYZNKGMJPB-JYJNAYRXSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C1=CCCCCCC1	1948955245	RIUJIDOSGCEENU-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CCC1=CCCCC1	1949046928	KKHZNKDTLDLCIP-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
Cc1cc(C)c([C@H](N)C[C@H]2C=CCCCC2)s1	1949124996	OUVVJYHXUXQCKA-UONOGXRCSA-N	249.423	4.501	0	10	BJAE	
CC=CC[C@H](CC)c1c(C)cc(OC)cc1C	1951308285	CXWNJHKSCPJUTI-AWEZNQCLSA-N	232.367	4.772	0	10	BJAE	
CCC[C@@H](C)CC(=O)C(CC)(CC)CC	1959914646	ONDQEJJPASGTEX-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
CC(C)CC[C@H](C)N1CC[C@H](CC(C)(C)C)C1	1962912747	KFVXWMVKMCXVIV-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCCCCCN1CCCC[C@@H]1c1ccc(C)o1	1964148144	DDADWVUBSBSTIA-OAHLLOKOSA-N	249.398	4.695	0	10	BJAE	
CC[C@H](NCC1CCC=CCC1)C1CCCCC1	1966188632	RGKGPZJSNXGBJU-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C1CCC(CCCNC2CC[C@@H]3C[C@H]3CC2)CC1	1967833776	FKHKAVHYJRXIJX-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@H]2CCCC3(CC3)C2)c(F)c1	1968327367	XLIQDKPXUIALFW-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CCCc1ccc(N[C@H]2CC[C@H]2CC(C)C)cc1	1968425637	GAQWLFLADSCQON-RDJZCZTQSA-N	245.410	4.876	0	10	BJAE	
Cc1c(Cl)cccc1-c1nc(C2CC2)cs1	1968724677	DLEYMNWFISEFLX-UHFFFAOYSA-N	249.766	4.649	0	10	BJAE	
CCC1(CC)CCC(N[C@@H](C)c2ccco2)CC1	1968838736	GOKMQYUQOAQURB-ZDUSSCGKSA-N	249.398	4.679	0	10	BJAE	
C[C@H](N[C@@H]1CCCC(C)(C)C1)C1CC2(CCC2)C1	1969844874	YMTQQQYRZFFXIC-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
C/C=C/C[C@](C)(CCCC)CNC(C)(C)C	1983585298	ONQXABISYDGVRV-LOWQCSRCSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCCc1ccccc1C(F)(F)F	1984609033	WTXMXCNZNXGWMQ-NSCUHMNNSA-N	228.257	4.604	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](C)(O)C1(C)CCCCC1	1995988492	YXDXPJCLDCMEKA-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2CCCCCCC2)C1	1996232849	SHECPQBXQNTRDD-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@H]1CC[C@@H](C)C1	1996261392	VTCJWGYBKQWXHD-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H](O)C2(C)CCCCCC2)C1	1996270397	OCGLWNYMTHRVLZ-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC[C@H](C)C1)C1CCCCC1	1996594349	LOAMGPMNZPUKLF-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)[C@@H]1CCCC(C)(C)C1	2000031974	KDYDOTLZBNOHDU-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@H](Sc2ccc(C=O)cc2)C1	2000100294	VEOIGKSRHGEPHH-AWEZNQCLSA-N	248.391	4.560	0	10	BJAE	
C[C@H](c1ccc(N)cc1)[C@H]1CCCC(C)(C)C1	2000163175	QBACQYQQPGRYHH-OCCSQVGLSA-N	231.383	4.589	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C1(C)CCCCCC1	2000212046	RLXXOCREIIHPAU-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)(CC)[C@H](CC1(C)CCCC1)NC	2000324381	SDQSBMKMBRZIMI-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](CC)(CN)[C@@H]1CCCC(C)(C)C1	2000483129	KAXXWRNGDJHHRS-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@@H]1CC12CCCC2	2001210602	LGVGZQZOXGKQSL-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)[C@H](C)C1CCC(CCC)CC1	2002921972	TXDSOTAZHDSYEV-QRNKSROTSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@]1(CN)CCCC(C)(C)C1)C(C)(C)C	2002983894	NGFXNOQHWTVWJF-CZUORRHYSA-N	239.447	4.604	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CCC1CCCC1	2003071211	WBZBNGGATMHKAV-OAHLLOKOSA-N	236.399	4.886	0	10	BJAE	
C[C@H](NC1CCCCCCCC1)[C@@H]1CC1(C)C	2003097862	INMIKZWQAGZEDI-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCC1(C)CCC(Nc2ccccc2C)CC1	2004341458	KJVCZWVJAIAHKE-UHFFFAOYSA-N	231.383	4.766	0	10	BJAE	
CCC1(CC)CCC(N)(CC2CCCC2)CC1	2004342346	RNRRIOVKPJGLQP-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H]1C[C@@H](CCC(C)=C(C)C)C[C@@H](C)C1	2006625574	YEXSGNLBXSAFRG-VNQPRFMTSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCC(=O)C1(C)CCC2(CC2)CC1	2007683168	KSAWOTDEPKYELA-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CC(C)C)C1CC(CC)(CC)C1	2009298243	GUYXTMPPSFQUNR-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@@](C)(O)CCC2(C)CC2)CC1	2009543135	CMWNPBAASCNEAD-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCCCC1CCC(N)(CCC2(C)CC2)CC1	2009545483	ZXWGWXYYMVFHQS-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCCCC12CCC2	2009572377	MMBYJTLQVVHZGZ-HSWBROFVSA-N	234.383	4.662	0	10	BJAE	
C/C=C/CCC[C@H]1CCCC[C@@H]1CNC(C)C	2009612228	SSDLOBJAHSAOTR-CGFBPQRUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H]1CCCCCC12CC2	2011273360	AUPMEJXUUQCEMQ-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CC)CCCC12CCC(CC1)CC2	2012834963	ASVBZSFKLQHCRW-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(CCC(C)C)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2013270009	DRYMCUMZTXAVAH-QXSJWSMHSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CCC1=C[C@H](N)CCCC1)C(C)C	2015345589	UKEZPEORWWPRQJ-OAHLLOKOSA-N	237.431	4.523	0	10	BJAE	
CC(C)C(CC[C@](C)(N)CCC1CC1)C(C)C	2015347965	SPFVGJCILIOWLB-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)CC1(CCC)CCC1	2015634635	SJBGBMUYSASGCD-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@](O)(CCC)C2CCC2)CCC1	2015636578	ZNVSRCHFFORSCJ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C1(CC2CCC2)CC1	2015795319	BBLPRUIFNQGEPI-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CN(CC(C)C)c1ccccc1	2017462366	YSSRYVYEIRRMKK-UHFFFAOYSA-N	231.383	4.505	0	10	BJAE	
CNCC1(CC(C)=C(C)C)CCCCCCC1	2017467014	RVQPOCFHTNZDAM-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H]1CCCC[C@@H]1CC	2017472546	LHOZUAVWFCNXCY-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC[C@](CN)(C[C@H]1CC[C@H](CC)CC1)C(C)C	2017729012	RJVAGEKJYCMSTM-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
CCC1CCC(CC(=O)C[C@H]2CC2(C)C)CC1	2017775463	CDFDLTHPKZMFPX-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)N(C)CCC[C@@H]1CC1(C)C	2018182187	FFZIRPGHQOLKLD-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)CN(C)C1CC(CCC)C1	2019189589	VXCRFQPCTAUBFK-FHERZECASA-N	239.447	4.713	0	10	BJAE	
CC[C@H](C)[C@H](C)N(CC(C)C)C1CCCCC1	2020535941	PDLSYLKIZAZJCX-GJZGRUSLSA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1CCC[C@H](CC)CC1	2020969601	PYLXJMVAFURSNP-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@@](C)(O)C1CCC(C(C)C)CC1	2020974844	UXGBEMMVPARLRY-AVVWSFFYSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@](C)(CC=C1CCC1)CNCCC	2023260991	XRGPKNMEZGKQME-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CCCOc1ccc2occ(C(C)(C)C)c2c1	2026532901	FYABHKNXOBJZMV-UHFFFAOYSA-N	232.323	4.519	0	10	BJAE	
c1sc([C@@H]2C[C@@H]3CCCC[C@@H]32)nc1C1CCC1	2026543743	DAHQUWKCPRRCAI-RWMBFGLXSA-N	247.407	4.704	0	10	BJAE	
CC(C)=C(C)CCN1CC[C@@H](C2CCCCC2)C1	2027027419	VSZMBLDAYHZOSF-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1cccc2ccccc12	2028229796	NRGMHAGFJPWANT-WMLDXEAASA-N	242.362	4.555	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NC)c1ccc(CC)cc1	2028265061	QTAMQRBOQCXQOB-DLBZAZTESA-N	247.426	4.582	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]32)CC1	2028772821	VACKMBZVLYEMDR-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CCCC(=O)CCc1ccc(C2CCCC2)cc1	2031745356	GRFACRPXOIRAGZ-UHFFFAOYSA-N	244.378	4.646	0	10	BJAE	
CN[C@H](CCCC1CC1)[C@@]12CCCC[C@H]1CCC2	2031759836	JNWLQUSGPJYPQV-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cccc(C3(C)CC3)c2)C1	2032244730	FGECZEUPZHTDDC-XJKSGUPXSA-N	243.394	4.729	0	10	BJAE	
C[C@@H](CNC1(C2CCCCC2)CCC1)C1CCC1	2033056160	AAPOCYQIEUILQC-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCN(C)C1C[C@H]2CCCC[C@@H]2C1	2034135236	YRCUVAPPPMUXAX-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CC1(CCCN[C@H]2CCCC3(CCCC3)C2)CC1	2034360680	BLLWJMLNIJBVEB-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC1(CCC[C@H](N)c2cccc(C3CC3)c2)CC1	2036356548	YSTGQVPXFNBFNB-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)C1CC(C)(CC)C1	2036479848	GRAGHKQCCHHGAA-ORBLRFAASA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1ccc(CC(C)C)cc1	2037215421	KBRTXSBKFWVPDM-MRXNPFEDSA-N	247.426	4.711	0	10	BJAE	
CN[C@@H](C1CCCCC1)[C@H]1CCC2(CCCC2)C1	2037588509	DKACGQNXVTXKAM-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CCC1CC1)N(C)[C@@H]1CCC2(CCCC2)C1	2037676597	WRTBCTVLVKSOCA-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CCC2(CCNCC2)C1	2037726380	ARWOVTGEIAXEKZ-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CNC[C@@]1(C[C@H]2C=CCC2)CCCC(C)(C)CC1	2039384977	KRPPTZQNALAGCB-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(N)C12CCC(CC1)C2	2039871728	GVOFSORESZAQEI-CUQMJCILSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@]2(N)CC(C)(C)CC3(CC3)C2)C1	2040168442	HFJHJGRTRIVNDC-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CC2CC3(CC3)C2)CC1	2041379760	NHLGIHKVDCTPSR-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@]1(C)CC=CCC1	2042022837	WBCVQTNFVCEMCG-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)c1ccccc1C1CC1	2042290343	LTEXBBVGHNJKOL-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CC1(C)CC(NC2CCC3(CC2)CC3)CC1(C)C	2042379186	ANMCHCVSECGMHK-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)[C@H]1C=CCCC1	2043188944	XCZOJMODMCJWSX-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC[C@H]1C)C1CC2(CCC2)C1	2043547960	UPZJMTODKVZOER-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@@H]1CCC2(CCC2)C1)C1(C)CCCCC1	2043608160	VCAXVINFWJFKAO-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC2(C)CCCCC2)C1	2045559390	XIFZAZRZHKTBQH-ZFWWWQNUSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CCCC2)C1(CC)CC1	2047024259	SPTXOXVAHJZHRL-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H]2CC23CCCCC3)C1	2047063445	WNTJDCNEFHQSDK-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C[C@H]1CCC12CCC2	2047940332	ULYOFPIUNZTORN-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC12CCC2)C1CCCC1	2047942367	JTZOASMDNIOCBQ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048363569	QOASAQNNJJVILN-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)c1ccccc1	2048595295	GAVQWOMXGDPCGQ-DQPZFDDXSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)C[C@@H]2CCC=CCCC2)CC1	2049680614	HAWHYXRSEJEPGQ-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCC1([C@H](C[C@@H]2CCCC3(CC3)C2)NC)CCC1	2049862259	XUKVQOWPZHRKMV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)C[C@@H]1CCCC2(CC2)C1	2049932193	IAPNIDRDQOIJOT-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@@H]1CC12CCCC2	2053405548	YGUVGQCENPFLQX-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H]1CCCCC12CCC2)C1CCC1	2053407705	PSAZJCQXVPRKRC-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(CN)CCC2(CC2)CC1	2056523639	PSQOOLOXZLBYRS-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
C[C@](N)(CC1CCCC1)CC1CC(C2CCC2)C1	2056643126	PRWCSZLEELEMNZ-PREGVCBESA-N	249.442	4.501	0	10	BJAE	
OC1(C=C2CCCCC2)CC2(CCCCCC2)C1	2056858405	OGHGXYMKVKBAOL-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)C(C)(C)C2CC2)CC1	2061088408	MRAWBIDUFIYZHM-HIFRSBDPSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@@]1(C)C[C@H]1C	2061150083	IAFWYQIAZBNYAM-UNEWFSDZSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1OCC[C@]12CCC[C@@H]1C2	2061596245	KXYLLDYHBKRMBY-WBVHZDCISA-N	244.378	4.598	0	10	BJAE	
CCN[C@H](CC1CC(=C2CC2)C1)[C@H](C)CC(C)C	2061729230	UHFBWJZJQLCINE-CXAGYDPISA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)C)C1CC(=C2CCC2)C1	2061735510	ZSWXZZCCXRHGLY-DYVFJYSZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC2CC3(C2)CC(C)(C)C3)C1	2063209085	RYHYQVDZTRRWPK-TZMCWYRMSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1CC2(C1)CC21CC1	2063998847	DCNJAXDBCKMNNR-GJEMEMOUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@H]1C[C@H](C(C)(C)C)C1)c1ccccc1	2066628943	DLPLQDUSYWVNMF-JYJNAYRXSA-N	245.410	4.552	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CCCC2)[C@H]1CCC1(C)C	2068344121	VBJLMWBJKLGMNI-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)C[C@H]1CC12CCC2	2069174881	LXIZTYKWZZMNLY-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CCNCC1(C[C@@H]2CC23CCC3)CCCCCC1	2069189208	IRLWNICEHISDKO-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCC1(CC[C@](C)(O)c2ccccc2)CCC1	2069340098	QWTLCGQQWYTNCW-INIZCTEOSA-N	246.394	4.645	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCC1(CC2CCC2)CC1	2069587577	STBPXCKLEAMRKJ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(N[C@H]2CC[C@@H]2C2CCC2)CCC1	2071794482	NNSBLFKCAOOVLH-SJORKVTESA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]32)CCC1	2071913389	QQJCVKDXEOLEGZ-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(CC(=O)C[C@H]2C[C@H]2C2CC2)CCC1	2071917822	ODYKVVADFPFNSV-ZFWWWQNUSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(CNC23CCCC2CCC3)CCC1	2071948128	DAPLPCHVJRWSOL-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)C[C@@]23CCC[C@H]2C3)CCC1	2071949304	IYVOYBPGNJKNCK-LZWOXQAQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@@H]2CCC3(CC3)C2)C1	2072601960	DOLAVLWVGDRROU-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
Cc1c(F)cccc1C(=O)C[C@H]1CC[C@H](C)CC1	2072870317	APQPCCCVGQQKOW-AULYBMBSSA-N	248.341	4.533	0	10	BJAE	
CCCC1(C[C@@H](NC)C2(CC3CCC3)CC2)CC1	2074652960	IVJAGBZJFGJXHH-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1([C@@H]2C=CCCCC2)CCC1(C)C	2075365054	KEGYPQSCKLZFEA-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCNCC1([C@H]2C=CCCCC2)CCCCC1	2075373361	NXRULHFSCODHBE-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CN([C@@H]1C=CCCCC1)[C@@H]1CCCC(C)(C)CC1	2075401291	LRNMBSFXTBUEIW-HZPDHXFCSA-N	249.442	4.776	0	10	BJAE	
CC(C)CN(CC1CC=CC1)C1CCCCCC1	2076546466	BCSIKMBOCDULLS-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCCCc1ccc(C(O)(CCC)CCC)cc1	2077920039	HCTLEZZNXOOYQC-UHFFFAOYSA-N	248.410	4.817	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2C[C@H]2C2CC2)cc1	2079330820	AGDDLFGOJHSSHH-NUTKFTJISA-N	244.378	4.625	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H]1C[C@@H]1C1CCCCC1	2079433288	ZDRMIJQLLGLFEI-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@H]1C1CCC1)C1CCCCC1	2079441680	XKOGHSLIUPHDGA-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C(=O)[C@H]2C[C@@H]2C2CCCCCC2)C1	2079491119	HETYMGXXNGRSAY-GDVJOBBMSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1NC1CC2(CCCCCC2)C1	2079538077	SFRYAEHCGFDSCF-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CCCCCC1CCC([C@@H](N)C=C2CCC2)CC1	2080217272	GLQNELSVHVHXGL-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
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CC(C)(C)NCC1([C@H]2C=CCC2)CCCCCC1	2081681607	ASRDVCZQMORDEZ-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
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CNc1ccc(-c2cc(C)c(Cl)c(C)c2)cc1	2212862561	PROWFHOAEPIQHS-UHFFFAOYSA-N	245.753	4.666	0	10	BJAE	
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C[C@@H](C[C@@H](N)CCCCC1CC1)CC(C)(C)C	2214573653	OQGTXRUZDKZUCB-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
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C[C@@H]1CC[C@@H]1[C@@H](N)CCCCCCCC1CC1	2216878188	TVENSRYWNFAIFD-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NCC1([C@@H](C)CC(C)C)CCCC1	2217133944	FYPHTGHSKREYSW-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CN[C@H](C)CC)C1CCCCC1	2217136477	IROFCJCCUXXMLA-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](N[C@H]2C=CCCCCC2)C1	2218040508	PCTITOIUORLEJM-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)CC=Cc1ccccc1	2219062018	IOAPAYLWVAUXKL-HNNXBMFYSA-N	246.394	4.523	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C/C=C/c1ccccc1	2219062157	JSPNVQZWVBVTOB-QSOAKEGCSA-N	246.394	4.667	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@@H]2CC[C@@H]2C)cc1	2220579094	FOWHHJODCPQWPS-CLROSIBMSA-N	245.410	4.507	0	10	BJAE	
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CC1(C)CC(C)(CC(=O)[C@H]2C[C@H]2C2CCCC2)C1	2221090675	OGMGYDJVJJABNN-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
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CC(C)(C)[C@@H]1CCC[C@](N)(C[C@@]23CCC[C@@H]2C3)C1	2222264270	GNOLNKKZMBSCAL-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
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CCCCC[C@](N)(CC)CC1(C)CC(C)C1	2242699604	GMUOLWDKQRLQTM-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CCCC(N)(CCC)CCCC[C@H]1C[C@H]1C	2243047825	IAXSCVYSEGGBQN-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)CC1(C)CC(C)C1	2246453645	GTRZGQXQRYTGCV-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@H]1CCCCC12CC2	2246614306	JPQHMVYZXIALJZ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@@H]1CCCCC12CC2	2246615030	QINJYAKOAHOCPS-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
N[C@H](C1=CCCCCC1)c1csc(C2CC2)c1	2248045435	VWLBIJRLALPTEB-OAHLLOKOSA-N	247.407	4.516	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)CCCCC[C@H]1C[C@H]1C	2248813679	HERGDBVZVAHNPX-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CNC[C@@H]1CCCCC1(C)C	2250380505	HFUPUGCJVKDWNK-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H]1CCCCC1=O	2250473364	IQNWANNTZYDBJW-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CC[C@H](C)NC1	2250478126	FLIZCXSZRFPNFR-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
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CC1CCC(CC(=O)CCC2CC(C)C2)CC1	2251772142	NNFHPWHMPCYWAL-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCc1ccc2cc(Cl)ccc2n1	2252685510	IEARNUQHWKYUOR-UHFFFAOYSA-N	245.753	4.787	0	10	BJAE	
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CC[C@@H]1CC[C@](CN)(CC2CC3(CCCC3)C2)C1	2254058284	LYLTZPGKRKZXHU-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CCC1CCC(CNC)(CC2=CCCCC2)CC1	2255145324	FMYCKLDNWDAPSC-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
N[C@H](C[C@H]1CCCC12CC2)C1=CCCCCCC1	2255240763	ZOQLHOSCHZLNMN-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C[C@H]1CCCC12CC2	2255246400	MRSDLRABQMFHNJ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC[C@@H]2CCCC23CC3)C1	2255318080	QJJHBFRDFPXOBQ-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCCC12CCC2	2256144613	OXQKOWOSXCRATO-AWEZNQCLSA-N	247.357	4.523	0	10	BJAE	
Cc1ccc(NCCCCC[C@@H]2C[C@H]2C)cc1C	2257297193	BAJCCGGONFGBPY-HZPDHXFCSA-N	245.410	4.932	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccc2ccccc2c1	2259477916	MCOQNPFHYLVWIV-SUMWQHHRSA-N	241.378	4.666	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@@]1(C)CC=CCC1)C2	2259580650	NUUVTRLQIXQNPO-XRFBTWBJSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@@]12CCCC[C@H]1CC2	2260488959	JSRQRYVYKIZVNF-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NC[C@]12CCC[C@@H]1CC2)C1CCCC1	2260532336	DLTRGSLEQHPDPT-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@]12CCCC[C@H]1CC2)C1CCCCC1	2260579776	SZBWYLXMZPEFDK-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@@]23CCC[C@@H]2CC3)C1	2260672165	OAYCGBYKGXODLR-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CCC[C@H]1CC1(C)C	2300496982	QFQXVKLZAUCZSB-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCC[C@@H]1C(C)C	2300703661	IXBOGPDYVMNXTJ-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CCC1([C@H](O)CCCC2=CCCCC2)CCC1	2302337306	WMLKNNLIVVPWLP-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](O)CCC2CCCC2)C1	2302669491	FFSXGHPPURXGRK-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CC[C@H]1C(C)(C)C	2303403280	ZAKZYBAGSDFVTN-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CO)CCC(C)=C(C)C1	2303470377	JFECBNRNLRQBMR-INIZCTEOSA-N	236.399	4.622	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H](C)C(C)(C)C)CC1	2303591571	BHHXWZFWHPKNPJ-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CNC(C)C)C(C)(C)C	2307831229	IZATZARNQLSLNK-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CN)CCCCC1(C)C	2307909503	USBJOBJFTGZESF-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
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CCCN[C@@H](CCC[C@@H]1C[C@H]1C)[C@H]1CC=CCC1	2310430881	DHYMQZUXITVNIW-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@@]12CCCC[C@@H]1C2	2311146972	ZMJYARMQHRRNDR-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)C[C@@]23CCCC[C@@H]2C3)C1	2311161721	IXQONTORYLQIQX-KSWRQPAISA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H](F)C1CCC1	2315874112	DRQCSFICTQIQBY-OAHLLOKOSA-N	249.373	4.669	0	10	BJAE	
C1CCCC(C[C@@H]2CCNC3(CCCC3)C2)CC1	2317001631	MNGJDBRHDWEIMF-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
O=C1CCCC[C@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2317006012	BBEXSNZESPSQND-FZKCQIBNSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C[C@@H](C)[C@@H](C)C(C)C)c1ccc(C)cc1	2317832111	SNRAWJUXCVLOPJ-HLLBOEOZSA-N	247.426	4.574	0	10	BJAE	
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CCc1ccccc1OCCCC1=CCCCC1	2318596759	CZUZCKZFQGNECJ-UHFFFAOYSA-N	244.378	4.908	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C[C@H]2CCC(C)(C)C2)c1	2319024957	SWSNYTRGMFOTIZ-ZBFHGGJFSA-N	245.410	4.520	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)(C)C1)[C@@]1(C)C=CCC1	2319124879	XRSRMDXTPRUTSN-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CCC(=O)C[C@@H]1CC[C@H]1C1CC1)C1CC1	2319583539	MBRWRVSLUFGJMV-BBRMVZONSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@](CN)([C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2320397506	IYYVFTIOLMPFPH-OSRSDYAFSA-N	249.442	4.524	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@](N)(CC2CC2)C2CC2)C1	2320625482	VQKJRZHCPJSBDG-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(C=CCCC(C)(C)N)cc1	2320797301	QXWAMQFDSGLBMC-AWEZNQCLSA-N	245.410	4.731	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCC3(CCC3)C2)c1	2321083376	RCVBKZKUMDBLCZ-CQSZACIVSA-N	247.357	4.523	0	10	BJAE	
CCCCC[C@H](N)c1ccc([C@H](C)CC)cc1	20481361	JZXKHADRKCQPFB-CJNGLKHVSA-N	233.399	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccc(C(C)(C)C)cc2)C1	20558521	YBXJPXGYSJJUQA-CZUORRHYSA-N	245.410	4.975	0	10	BJAE	
CC[C@@H](Nc1ccccc1)c1ccc(Cl)cc1	20558885	MOGKQOQJQFPPMO-OAHLLOKOSA-N	245.753	4.903	0	10	BJAE	
CCN[C@H](c1ccc(CC(C)C)cc1)[C@H](C)CC	35510592	DGBHRDFIBZGCIZ-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CCC(CC)Nc1ccc2sccc2c1	36976214	UEDDBPRNKHVEGG-UHFFFAOYSA-N	219.353	4.502	0	10	BJAE	
C[C@H](Nc1ccc(-c2ccccc2)cc1)C1CC1	37057011	YQCXOFNRALMTLY-ZDUSSCGKSA-N	237.346	4.564	0	10	BJAE	
CCCCCC[C@H](C)Nc1ncccc1Cl	71137493	QITNLONGXYZENG-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
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CC(=O)c1ccc(Cl)c(-c2ccc(C)cc2)c1	82708667	RXQDQKSYBATPCC-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@H](C)[C@H](C)C1	84984276	UUFDGCAXYCIDKR-SQWLQELKSA-N	245.410	4.876	0	10	BJAE	
CC1CCC(N[C@H]2CCCC(C)(C)CC2)CC1	86893782	DZRDJAHODRBPTD-SLTAFYQDSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@H](CNC(C)C)c1ccccc1	88098498	QLHRFABNFZERST-NVXWUHKLSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CN)c1ccccc1C	93104882	MDANDACEASTPSV-HOTGVXAUSA-N	247.426	4.644	0	10	BJAE	
CCCC[C@H](O)c1ccc(Cl)c2ccccc12	93656973	DLRSSMXKOJBNIW-HNNXBMFYSA-N	248.753	4.717	0	10	BJAE	
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C/C=C\C[C@@H](C)c1ccc(OCCC)cc1	107573203	FNZSZPSJWUGQJR-RYWCDNDXSA-N	218.340	4.545	0	10	BJAE	
CC[C@@H](N[C@H](C)c1c(C)cc(C)cc1C)C(C)C	109929259	WNIJEFHMHICHSU-HZPDHXFCSA-N	247.426	4.697	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H](C)C[C@@H](C)CC	128687119	ACCYFQAKILDKPH-ZOBUZTSGSA-N	247.426	4.800	0	10	BJAE	
CCCCC[C@H]1C[C@H](C)CC[C@@H]1CNC(C)C	131437798	JIIKQCMKLUAABQ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCc1cccc2c(Cl)cc(CC(C)C)nc12	131699506	VQPLVHSUVJUNTB-UHFFFAOYSA-N	247.769	4.649	0	10	BJAE	
CC1CCC(c2nc(C(C)(C)C)cs2)CC1	131899335	BSGXRJUQUYIZJN-UHFFFAOYSA-N	237.412	4.734	0	10	BJAE	
CCCN[C@H](CC1CC1)C1CCCCCCC1	159108874	RSSSIGXALZXCBU-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C(=O)Cc1ccc(CC)cc1	164206383	XQEZDQGOPGGGCY-MRXNPFEDSA-N	246.394	4.577	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(CNC(C)(C)C)C(C)C	164420683	YHWCNOMDPYVKBE-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)CCCC(C)C	166322873	CFHCKYDWUGTBQC-SDNWHVSQSA-N	225.420	4.537	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C[C@@H](C)CC(C)(C)C)c1	166795515	XMVOHJGTBOYGDJ-GDBMZVCRSA-N	248.410	4.799	0	10	BJAE	
CCCN[C@@H](CC(C)C)C(CCC)CCC	169255814	DIALTGOAJVMLJF-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC(C)=CCCC(C)(C)c1ccccc1	207118512	UEYPZLARHRDVIT-UHFFFAOYSA-N	202.341	4.711	0	10	BJAE	
CC(C)c1ccc2c(c1)[C@@H]1CCCC[C@@H]1CN2	214027559	PYBRWMPLKAAQQW-ZIAGYGMSSA-N	229.367	4.509	0	10	BJAE	
CC(C)c1ccc(OCCC2CCCC2)cc1	224559102	PDSFBLGHQWKOHD-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CCC(C)(C)C1	225978911	XFGWNVGRHRSBKN-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1CCC[C@@H](C2CC2)C1	226994273	ZVIPPAWXCWDQTD-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)C(=O)C1(CC(C)C)CCCC1	229215411	DTPDXSXVUWYMAA-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)NCC1(CC)CCCC1	233030221	QXHBTIJVKVOGBJ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](c2cccc3c2NCCC3)C1	234102299	YVUUQCZZCOUUIA-ZFWWWQNUSA-N	243.394	4.729	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1CCCC[C@H]1C	250835544	USXIYSQLBKVCIH-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc2cc(C(F)(F)C3CC3)ccc2c1	258936123	BPDWONIZTCMUJO-UHFFFAOYSA-N	232.273	4.650	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CCC1CCCCC1	302269315	QUCBOFMJODZUEB-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CCC(C)(C)C)Nc1cccc(F)c1F	302488123	IOCUAWGKINKEKT-SNVBAGLBSA-N	241.325	4.592	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(C[C@H](C)CC(C)C)C1	305902753	BPJBNBUTSJMWRG-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CCC1CCCC1)CNC	305933207	KFEFCVGTOSUKQF-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
C[C@@H](C[C@H](O)CCC1CCCCC1)C(C)(C)C	306024769	YZUZLMJUPGLKEK-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CSc1cc(Cl)c2sc(S)cc2c1	306562389	CKDNCMKLCWQSTC-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1ccccc1[C@@H](NC)[C@H](CC)CC(C)C	308069640	QHUOUYBEXXWQSX-WBVHZDCISA-N	247.426	4.582	0	10	BJAE	
Cc1csc(C(=O)CCC2CCCCC2)c1	379239789	WIPTXVAUMPCUOO-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1CCC(C)CC1)NC	379758875	ANJWJPXBVASDFH-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](NC(C(C)C)C(C)C)C1CCCCC1	379827376	VOCKHCNNGVKVLT-OAHLLOKOSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2CCC2(C)C)cc1	379876651	SLDWQSRGEMDHKU-IUODEOHRSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@@H](CCC)NCc1csc(C)c1	380572818	OPOZWKDFACANSX-CQSZACIVSA-N	239.428	4.505	0	10	BJAE	
CCCCCC[C@@H](N)CCCCCC(C)C	383253737	KSAFNBYLLIOLGL-OAHLLOKOSA-N	227.436	4.891	0	10	BJAE	
CSc1ccccc1N[C@H](C)CC(C)(C)C	384534743	DCXOVAUNVITGNI-LLVKDONJSA-N	237.412	4.645	0	10	BJAE	
CC(C)C[C@H](N[C@H]1CCC1(C)C)c1ccccc1	385110027	PJFKOQPLDPYERX-HOTGVXAUSA-N	245.410	4.552	0	10	BJAE	
CCC1(CNc2cccc(C(F)F)c2)CCC1	386326358	OONYKKARIDROJQ-UHFFFAOYSA-N	239.309	4.616	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C(C)(C)C(C)(C)C)c(C)c1	386472664	HKTQBUBUIYELFH-OAHLLOKOSA-N	248.410	4.718	0	10	BJAE	
C[C@@H](Cl)/C=C\c1ccc(Cl)cc1Cl	388582153	BRQLLLWDKRWZQL-SKRYNEFJSA-N	235.541	4.634	0	10	BJAE	
Clc1cccc(N[C@H]2C=CCCCCC2)c1	390424256	UFDQWEQLGQWPDW-ZDUSSCGKSA-N	235.758	4.641	0	10	BJAE	
C[C@@H](Cl)/C=C\c1ccc(Cl)c(Cl)c1	393556600	PEYSITKMROLWJO-SKRYNEFJSA-N	235.541	4.634	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1)c1cccc(C)c1	393989909	OZMUGUGQZVCFSB-KRWDZBQOSA-N	239.362	4.867	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCCC1CCCCCC1	394570724	LQBQCDHTQHFBSF-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(N[C@@H]2CCCC23CCC3)ccc1C	394869172	RFZUWUVZSFJFOM-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CCC1=CCCCC1	395385248	SMDZNYUSZLGUNO-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
Cc1cscc1NCC[C@H](C)c1ccccc1	395702363	GBHJFKVZQVFKOO-LBPRGKRZSA-N	245.391	4.662	0	10	BJAE	
CCOc1cc(Cl)cc2cc(CC)sc12	396183784	AUJOQHQBTOQTAG-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1cccc2c(Cl)c(CC)sc12	396188838	KWNMCXYCHKZOSR-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc(F)c2sccc2c1C(F)(F)F	396303306	UFYQMHPPVLLYOG-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
C[C@@H](NC1CCC2(CCCC2)CC1)[C@@H]1CC1(C)C	397690269	MUJIASKHJBUYIF-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
O=Cc1ccc(C=C2CCCCCCC2)cc1	675051208	FAKLNPAZBAAOPG-UHFFFAOYSA-N	228.335	4.627	0	10	BJAE	
CC(C)c1cccc(-c2ccc(N)c(Cl)c2)c1	688967284	LXLCBRXSMZROPF-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccc(C3CCC3)cc2)C1	690160809	JWBDINZECJCSDQ-SUMWQHHRSA-N	243.394	4.945	0	10	BJAE	
C1CCCC(CNCC2CC3(CCC3)C2)CCC1	700795528	UQNHNWDKUCWVQB-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@@H](C)CC(C)(C)C	701069272	LOBMXFZBTKSPAR-OLZOCXBDSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@@H]1[C@H]2CCCCC[C@@H]2C12CCCCC2	701903375	NVGZHNQMAUGTKM-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCNc1cc(C(C)(C)C)ccn1	703861877	JVWXBZLFUOGUBR-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC(C)(C)CNC(C)(C)C	709108149	SKQCGQASNKPSID-ZDUSSCGKSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC1CCC1)Nc1cccc(C2CC2)c1	709663320	ABUNIHSELQYXLN-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2CCC3(CC2)CC3)C1	709976611	IMKIJYLATPVGJK-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@H](CC(C)(C)C(C)C)C1	713138511	CVVVXMUZFDPTJQ-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CCC(=O)CCCc1ccccc1	718740643	UIYDHFZEIPKKDO-UHFFFAOYSA-N	244.378	4.715	0	10	BJAE	
CC(C)=C(C)CC[C@H]1C[C@@H](C(C)C)CCC1=O	719176072	HJKAAAKNGJBHTA-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
CC(C)=C(C)CC[C@H](C)C(=O)c1ccccc1	719176394	VBIYJIWPNWHVRA-AWEZNQCLSA-N	230.351	4.642	0	10	BJAE	
CC1(C)CC(CNc2cccc3ccccc23)C1	723534079	CBSZNOGKEBMYGP-UHFFFAOYSA-N	239.362	4.688	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CC1CC(C)(C)C1	723596786	FLQZAZCXPDHWRT-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
Cc1ccccc1N[C@@H](C)c1ccc(F)cc1C	815601323	SNKAGPVZJNGVBN-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](NC[C@H]2CCC=CCCC2)C1	1308545297	CLQVFRLSWZNKEM-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N(C[C@@H](C)CC(C)(C)C)C1	1643848963	JSIMBGGMXXBQLH-RRFJBIMHSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](C)CCNC[C@@H]1CCCC[C@@H]1CC	1659927379	BLAZFDPYXAOBAA-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)c1cc(C(F)F)cs1	1889469861	CTTCTXZJEUJPOY-UHFFFAOYSA-N	204.285	4.589	0	10	BJAE	
CCC(C)=CCC(=O)C1(C)CCCCCC1	1900901608	VYHWZPAUKQHWTQ-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1CCCCCC1	1901059295	UQWUXYILIOPJHO-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CC(C)=C(C)CCN(C)c1ccccc1Cl	1901213166	YZHHUNIJVDSZTF-UHFFFAOYSA-N	237.774	4.523	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1C[C@H]1C1CCCC1	1910697433	YGYJKJUEDHWWJF-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC(=O)C[C@@H]1C[C@H]1C1CCCCC1	1911055856	LXEGWLOVJOCQHP-ZBFHGGJFSA-N	234.383	4.518	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@@H](C)CC(C)C	1911533537	CYJPMNSDMKUZRE-HNNXBMFYSA-N	239.447	4.783	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(OCC)cc1	1912050083	MISULNWABCLLMY-ZDUSSCGKSA-N	218.340	4.545	0	10	BJAE	
C=CC=CCC[C@@H](NC)c1ccc(C(C)C)cc1	1912098892	IPGJNKFAGPZDOK-QGZVFWFLSA-N	243.394	4.593	0	10	BJAE	
CC[C@@H](C)C1(CNC2CC2)CC2(CCCCC2)C1	1912563040	BIBPDMOOSBNNCQ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1CC2(CCCC2)C1	1912604011	IOWBNZKFSQHFLA-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H]1CCC2(CCCC2)C1	1916441124	FUCYECMLBJKBRX-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCC[C@](O)(CC)Cc1ccccc1C(C)C	1919536403	GFOSJSITAVWENA-QGZVFWFLSA-N	248.410	4.684	0	10	BJAE	
Cc1cccc(NC2C[C@H]3CCC[C@H](C2)C3)c1F	1923470342	IOIJPGCIRNGMDQ-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
CCO[C@@H]1C[C@H](C[C@H]2C=CCCCC2)C1(C)C	1925823050	COWVBBCMOKFMDO-SOUVJXGZSA-N	236.399	4.574	0	10	BJAE	
CC(C)(C)CCCC(=O)CC[C@@H]1CC1(C)C	1935910070	DOKCTIOQTABZHA-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CCCCCC1CC1	1936415224	IKCRJSZXFGGZNX-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
Nc1cc(Cl)ccc1-c1sccc1C1CC1	1938184507	TYGRFUAZGAPZKI-UHFFFAOYSA-N	249.766	4.528	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)[C@H](C)C(C)(C)C)c1	1939709649	ABHFLJMMPCDHJW-JTQLQIEISA-N	238.758	4.513	0	10	BJAE	
CCCC1CCC(O)(CCCC2CCC2)CC1	1941470583	SEZOSKBNEJNIHJ-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)[C@@H](C)CCC(C)C)CC1	1942652688	JQJWFIJERSQHHZ-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(F)c1cccc(N)c1	1942657204	DDGZLCLOGYBMJR-SWLSCSKDSA-N	237.362	4.526	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)C(C)(C)C(C)C	1944668963	UDXNYVWEWJUYRC-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)CC2(C)CCCCC2)C1	1945581547	GOBQWXNUEMIRNN-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H]1CCC(C)(C)C1	1945590515	FRNIYPLDWBJFOO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC=C[C@H](C)N[C@@H]1CCC[C@H](C(C)(C)C)CC1	1947061934	VFGYCFRIBBOYJO-SOUVJXGZSA-N	237.431	4.536	0	10	BJAE	
CC(C)Cc1cccc(C[C@@H]2C=CCCC2)c1	1947551044	BNATTWUHLWPMJZ-OAHLLOKOSA-N	228.379	4.784	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@@H]1CCCCC[C@@H]1C	1948328339	ULRPRXSHZUSERF-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@H](C)CC(C)C)c1F	1948329134	YKSASJHJPWQRQZ-CHWSQXEVSA-N	237.362	4.617	0	10	BJAE	
CCCN[C@@H](CCC)CC1CCC(CC)CC1	1948863570	MIIADNKZDPIRPB-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC(C)C)C(C)(C)C	1949826367	GPCLBYBQYZNIHS-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C[C@@H]2CCC[C@H]2C)CC1	1950931434	WYHPXALISQLVEA-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCc1ccc([C@@H](C)NCC(C)(CC)CC)cc1	1973315632	KRCSDOVGRDLCOT-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H](C)c1csc([C@]2(C)CC=CCC2)n1	1976659236	BWEFEKVQTNRBOQ-BXUZGUMPSA-N	235.396	4.654	0	10	BJAE	
CC[C@H](CC(=O)CCCCSC)C(C)(C)C	1981576295	IHOXRKBBAQPJHW-GFCCVEGCSA-N	244.444	4.551	0	10	BJAE	
Cc1cc(NC2CC(CC(C)(C)C)C2)cs1	1987812790	NGXAYEPEDGCVJY-UHFFFAOYSA-N	237.412	4.683	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NC)C(CC)CC	1995260549	WSGYPXBIKNEGFP-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](C)C2(C)CCCCC2)C1	1995979286	BHCTWSGIHPEJDB-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@@H]1CCCC[C@@H]1C	1996552722	CRLGSIYDUGSLGC-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(NC2[C@H]3CCC[C@H]2CC3)c(Cl)c1	1997557154	ABKKNHNVZJCLDR-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@H](C)C1CCC1	2000515878	UARVGUCZOGWYEZ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@@](C)(O)[C@@H](C)CCC)CC1	2002924464	IPJLCCSAHGYFKF-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
CC1(C[C@H]2CCCCCC[C@@H]2N)CCCCC1	2003096739	ZTCVCBWPIAVCPP-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCCCCC1CCC([C@@]2(O)C[C@@H]2CC)CC1	2003104830	ZEKPNXDCNZSAPA-BHDPWAOGSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CCC2(CC2)C1)C(C)(C)C	2003277713	MZUFNYIDWQLESL-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@]1(C)C=CCC1	2003330025	PEAGHDVZKONFBE-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@H]1CCCCC1(C)C	2004226050	GHPATUHOLSKFIL-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC([C@](C)(O)CC=C(C)C)CC1	2004231867	BXBGVTIDBBFKJI-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
CCCCCCNC[C@@H]1CCCCC12CCC2	2005612861	WZPOYYYPSUSNFA-HNNXBMFYSA-N	237.431	4.517	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C1=CC[C@@H](CC)CC1	2010711935	FHWZRTXJSCGFHO-LZWOXQAQSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)C1=CCC(C)(C)CC1	2010712629	JTMFYGWLFBGFTR-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)C1=CC[C@@H](CC)CC1	2010713043	LDCKYCZDCWMWBV-ZBFHGGJFSA-N	238.415	4.844	0	10	BJAE	
CCC[C@](N)(CC1(C(C)C)CCC1)C(C)(C)C	2017140865	AEIJOTGVKUHWFV-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CNCC)CC1CCC(CC)CC1	2017726524	ZMMYIGARHGXNBW-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H]1CCCC[C@H]1CC	2018132313	SJXHWXOSQKXJNU-OWCLPIDISA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](CC)N(C)CC1CC(C(C)C)C1	2018185511	QTNFIUQBUTWPJA-UYSNPLJNSA-N	239.447	4.569	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@H](CC)C(C)C)CC1	2018994525	BWMUUYBRSXSUKR-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1C=CCCCC1	2019499373	ZOJXPCFQCQVDSB-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@H](CCC[C@H]2CC2(C)C)C1=O	2020392190	NCQYUUWYEIQPJI-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC[C@@H](C)C(F)F	2026065691	WVKAAHDHPPYKBI-NWDGAFQWSA-N	248.357	4.843	0	10	BJAE	
CC=C(C)[C@@H](CC[C@H](C)CCCC)NCCC	2026080073	DEHRXIFGRKUYJS-GDBMZVCRSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@H]1CC[C@@H](C)C1	2026142185	HRUZEZXYZAZCLH-FZKCQIBNSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@@H]2C[C@H]3CC[C@H]2C3)n1	2026531103	JVQSFIQMYUTOKF-OWTLIXCDSA-N	249.423	4.635	0	10	BJAE	
c1sc([C@@H]2CCCC23CCC3)nc1CC1CC1	2026538774	UWEFOJFHIQGQRS-ZDUSSCGKSA-N	247.407	4.533	0	10	BJAE	
Cc1ccc(C(=O)CCC[C@H]2CC2(C)C)c(C)c1	2027842677	KDBDXDWLRXSERG-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)c1ccccc1C1CC1	2028550002	RNSOPQHERFTWAQ-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H](CCC)c1ccc(C2(C)CC2)cc1	2028596797	GJUAKZDLKCMNCQ-INIZCTEOSA-N	245.410	4.579	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1CC[C@H]2C[C@@H]2CC1	2028963849	GAMDYOYTRMDDQA-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CC1(CN2CC[C@@H]2C2CCCCC2)CCCCC1	2029045274	AZZUTNGWPYQWBV-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@H]1[C@H]2CC[C@@H](C2)C1(C)C	2029599658	FMZKRDXGDNPTKT-CAOSSQGBSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H](C)[C@](C)(O)c1ccc(C2CCCC2)cc1	2031743816	FZIBPRAJRNIZFM-DYVFJYSZSA-N	246.394	4.598	0	10	BJAE	
CCC(C)(C)[C@H](N)c1ccc(C2CCCC2)cc1	2031752917	UCWFBTJUMIZWCR-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H]1CCCC2(CCCC2)C1	2034369919	BDGINMAEZCPFJP-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCC/C=C/CN[C@H](CC(C)C)c1ccccc1	2036762947	IUIZBVWSFDYTQF-DKISHCGFSA-N	245.410	4.720	0	10	BJAE	
C1CC2CCCC(C1)N2[C@@H]1CCC2(CCCC2)C1	2037676855	YVJRZBBQLYDERG-UYSNPLJNSA-N	247.426	4.506	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCCC12CCC(CC1)C2	2039414019	XHDKTDHFMXRQSD-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2(N)CCC(C3CCC3)CC2)C1	2040164845	CETLKSZMJYGZKG-QBBMROGASA-N	249.442	4.501	0	10	BJAE	
CC1CC(C[C@]2(N)CCCC3(CCCCC3)C2)C1	2040762207	AAULSOVZWSJMBM-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](c1ccco1)[C@H]1CCC[C@@H](CC)CC1	2041378609	FHAZAZZPSWIDOX-YCPHGPKFSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C2CCC3(CC2)CC3)C1	2045511864	KRAGIOGIZKSUGL-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(N(C)[C@H]2CCC3(CCCC3)C2)cc1	2046557887	HIADPTQBBUMOJO-INIZCTEOSA-N	243.394	4.544	0	10	BJAE	
O=C(CC[C@H]1CC12CCCC2)CC1CCCCC1	2047025518	CCNDSNKFJUUWLS-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCC(=O)c1cccc(C2[C@H]3CCCCC[C@H]23)c1	2049171730	AKCHKXAWGSUWLS-GJZGRUSLSA-N	242.362	4.573	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCC2)CCCC(C)(C)C1	2049510659	FUTANZAVOKJQAD-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1CCC2(CC2)C1	2049855024	NDVFUPYMQOWUSL-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1CC(C[C@H](N)[C@@]2(C)C=CCCC2)C1	2050009318	MHXSAXRYCHEQKV-NDTCATRNSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H](CC)C1)c1ccco1	2050527618	KLHSTWGPHRNGPD-RRFJBIMHSA-N	249.398	4.537	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@H]1CCCCC12CC2	2053412747	QPLCSWFNYRSUCD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H]1CCCCC12CCC2	2053413871	ZHARKOSYQVLFPP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](NC[C@H]1CCCCC12CCC2)C1CC1	2053435233	BBPDNRUVNVPNBS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@H]2CCC[C@H]2F)c2ccccc2N1	2055299704	ITKVVYWXOIYANP-QVHKTLOISA-N	247.357	4.503	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	2055671290	GTPYTEYIMKIHQZ-MXASKKJJSA-N	249.442	4.536	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CC1CC(C2CCC2)C1	2056638779	AEXZDBWTPADQFQ-RKHAHWSXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CCC(=O)C[C@@H]1CCC[C@@H]2C[C@@H]12)C1CC1	2057358940	WHKQBLVCYUIGAE-ZENOOKHLSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](O)c1ccccc1C1CCC1	2059221911	TWZWVULANIFANS-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CC[C@H]3CCC[C@@H]32)C1	2059390992	WLDJKUWHMFKVAW-QTPCEWDRSA-N	249.442	4.514	0	10	BJAE	
CCCCCC1CC(NC[C@@H]2C=CCCCC2)C1	2059391980	KLAATGBEXBEZSZ-KLAILNCOSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(NC[C@@]23CCCC[C@@H]2C3)C1	2059395929	SGWRYYURQMGQON-MYBQVCMBSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)c2ccc(C)o2)C1	2059398768	XVIPRJSDNZFUDU-NFOMZHRRSA-N	249.398	4.598	0	10	BJAE	
CC(C)c1cccc(NCC[C@]23CCC[C@H]2C3)c1	2061571007	HKKJXJQXYDUKAU-RDJZCZTQSA-N	243.394	4.802	0	10	BJAE	
CCCCCC[C@H](NCCC)C1CC(=C2CC2)C1	2061649791	APUKRKNJDYFHBA-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1C[C@@H](N[C@H]2CCCCCC23CC3)CC[C@H]1C	2062018501	RXMMFLUNUCPRAP-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCCCCC23CC3)C1	2062019442	VZSFKHPWDBFXES-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
O=C(CCC1CCCCC1)C1C[C@@H]2CCC[C@H]2C1	2063501822	RTVXNQGCLMKHMN-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2C[C@H](N)CC3(CCC3)C2)C1	2063638342	GWQATIFFQWJWQY-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CC(=O)CC3(CCC3)C2)C1	2063717071	YYZBYNLSDQTAOV-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)C1CC2(C1)CC(C)(C)C2	2063808968	ZKKYEDZWPPYNIY-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@@](C)(N)CC23CCC(CC2)C3)CC1	2065274120	DWFZQXLHNUGKDV-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
Cc1c(F)cccc1NC1CC(CC(C)(C)C)C1	2067982840	LBCLEMPHQKIXKY-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCNC[C@@]1([C@@H]2C=CCCCCC2)CCC1(C)C	2068241188	AZLLZKMLTRRIHK-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@H]1CC12CCC2	2069174984	MOUMFCBYYYUPOZ-CABCVRRESA-N	248.410	4.886	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1CC[C@H]2C[C@@H]1C2	2069343839	DGIBLKTYDHFEFN-ISTRZQFTSA-N	241.378	4.555	0	10	BJAE	
CCc1occc1C(=O)C[C@H]1CC[C@H](CC)CC1	2072875751	RNNHOBPHVPOTKP-JOCQHMNTSA-N	248.366	4.631	0	10	BJAE	
CC(C)c1cccc(N[C@]2(C)CCC(C)(C)C2)n1	2073071097	BYLFIDNHRGVXPN-MRXNPFEDSA-N	246.398	4.586	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@H]1CC12CCCC2	2074649978	ZDAYSKULCFONTG-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN([C@H]1CCCC2(CC2)C1)[C@H]1C=CCCCCC1	2074800237	TUJDJCIYGYYIKE-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CC[C@H]2C2CCCCC2)C1	2074888733	MNZDFEJXQHANPF-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1Cc2ccccc2[C@H]1C	2074895887	LNPTUJYAYQLXIW-CPUCHLNUSA-N	243.394	4.532	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CCCCC2(CCC2)C1	2074898187	AYPRAHYXUFPHOB-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC(C)NCC1([C@@H]2C=CCCCC2)CCCCC1	2075363760	SNRWDMLSJLLNLS-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C[C@@H]1CCCC(C)(C)C1=O)c1ccccc1	2076450368	MLFYGQLQHVQWBS-ZFWWWQNUSA-N	244.378	4.576	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1C[C@H]1C1CCCCC1	2079488774	VTTSQBSZIJWFSY-HOTGVXAUSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CC(N)(C[C@@H]2C[C@H]2C2CCCCCC2)C1	2079669622	IBOGKGGEDSGJOW-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1(CC=C2CCC2)CCCC[C@@H]1C	2081676614	WRYPEUCVYCPICX-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CCN[C@@H](c1cc(C)cc(C)c1C)C(C)(C)CC	2082922929	RFOYVJZEZXRVCB-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CCCC[C@H](N)CCCCCCCC1CC1	2210526040	YQWMFZNPUSMIAG-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCCCC[C@@H](CC)NC1CC(CC2CC2)C1	2213400414	XVLVPISTWJKHGH-HWOWSKLDSA-N	237.431	4.514	0	10	BJAE	
CC1(CC[C@@H](N)CCCCCCC2CC2)CC1	2213579300	DLJTVMBZAXMRPB-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC(C)=C(C)CCNCCCCCCC1CC1	2213595825	QLUMHOUPNFEYAN-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCN[C@@H](C(C)C)C1	2215275310	CVUWHRSQGGKIQS-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@]1(CNC2CCC2)CCC[C@@H]1C	2217124859	KXQDSLAKVRQHHM-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC1(CN2CCC[C@@H](CC=C(C)C)C2)CCC1	2218172882	CCVIGKFJVSAGAC-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC[C@@H](N[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218331542	FLELFFMYDRFALT-YALNPMBYSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218348936	DOMVXSYBIXLOLB-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)[C@H]1CC12CC2	2218724077	FKARXNUVPVTUNT-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1OCCCCCCC1CC1	2218727769	WITIOEIFTLTGKV-UHFFFAOYSA-N	246.394	4.988	0	10	BJAE	
CCc1cccc(OCCCCCCC2CC2)c1	2218733424	XLVFWCJNBMEVGI-UHFFFAOYSA-N	246.394	4.988	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC1(C)CC2(CCC2)C1	2220934277	AATBUPBWMIFQCO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)CC2(C)CC3(CCC3)C2)C1	2221027662	IVHJOAFOFODYKL-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H](N)C(C)(C)C2CCC2)CC2(CCC2)C1	2221040113	MWBXJYQVBZPZGC-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C)c1cc(F)ccc1C1CCCCC1	2221807552	NYELQIJHCAVMJG-LBPRGKRZSA-N	249.373	4.544	0	10	BJAE	
C[C@@H]1C[C@@H]1CC(=O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222909736	GPGLPQVBDMTDBC-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@@H]1CC[C@@H]2C[C@@H]21	2223130299	LGHAGKVGSKHKJL-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
Nc1cccc(CCCCCCCCC2CC2)c1	2223158082	HEGDBXSXFPNRBG-UHFFFAOYSA-N	245.410	4.952	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@]1(CNC2CCC2)C=CCCC1	2223591543	CKXFINVLNLCGNT-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@H](NC)[C@H](C)c1ccc(C)cc1	2223968694	MIQZGGGBFZJFHG-WBVHZDCISA-N	247.426	4.657	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)C1(C)CC1	2244867236	KCWBMZVLIHAJNB-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC1(C)CC(C)C1	2246525171	XAAOIMGRYNUDMH-IQXANGCESA-N	236.399	4.598	0	10	BJAE	
C[C@H](C(=O)CC[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	2246662803	IDKMZFOXCFNUKU-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@H](NC)c1csc(C2CC2)c1	2248045842	ABKGQVFHDXZKQD-AWEZNQCLSA-N	249.423	4.632	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)c1csc(C2CC2)c1	2248073338	CSCKDCCXVXIGRO-GXFFZTMASA-N	248.391	4.635	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1(C)CCCC1)NCC	2250351892	HTVWONPJTFZYKT-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1CC(C2CCC2)C1	2250361333	LRKUJESZRDARJM-OWYJLGKBSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)CN[C@H]1CCC2(CCCC2)C1	2250387628	QOFUOVJVCZWMFA-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)CNC1CC2(CCCCC2)C1	2250389303	IETFNKFSOVPSOB-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C[C@](C)(N)CC[C@H](C)CCCC(C)C	2250482340	TXYRGTSIRRMHCI-HZPDHXFCSA-N	239.447	4.913	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@]12CCCC[C@H]1CC2	2251153188	HZQNRWKXKYGORG-XJKSGUPXSA-N	236.399	4.742	0	10	BJAE	
CN[C@H](CCCC[C@@H]1C[C@@H]1C)[C@]1(C)CC=CCC1	2254587773	QXMHYVCCUDMJNJ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(NCC[C@H]2CCCC23CC3)CC1	2255226109	UYESADDBJKAEAK-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1NCC[C@H]1CCCC12CC2	2255231947	DNSQBZYSISPMNB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@@H]1CCCC12CC2	2255232193	FFMWVBISNIPOHP-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(CN(C)[C@H](CC)CCC)cc1	2256314132	NPHGICZGFDLEKY-QGZVFWFLSA-N	247.426	4.650	0	10	BJAE	
CC1(C)CCC(C[C@](C)(N)[C@@H]2CC23CCC3)CC1	2256484269	BUTXSSUGNPFPJV-HOCLYGCPSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(OCCCCC[C@@H]2C[C@@H]2C)c1	2257250518	ZSFMYNTVTXZTEE-JKSUJKDBSA-N	246.394	4.899	0	10	BJAE	
C[C@H](Nc1cccc(C(C)(C)C)c1)c1ccco1	2257904934	DTGJCCFGNTVBNW-LBPRGKRZSA-N	243.350	4.750	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@]12CCCC[C@@H]1CC2	2260644588	BUXPTZGOGBDYBK-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@]12CCC[C@H]1CC2	2260669742	IWFZPIRLHOXGKN-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2CCC[C@H]2C)CC1	2298170473	UKCKSGSHDQAMQK-IJEWVQPXSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC1CCC=CCC1	2300505651	OLSBTIUHWXHEDK-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H](C)CN(C)CC=C(C)CCCC(C)C	2300884136	ONVPXIASKOMCAM-OAHLLOKOSA-N	239.447	4.737	0	10	BJAE	
CCC(C)=CC[C@H](O)C1(CC(C)C)CCCC1	2300908014	YNNLVZGNXNQUIK-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@H](C)[C@@H](C)C(C)C)CC1	2301899516	JXLPNXXLHOUBCZ-LZWOXQAQSA-N	236.399	4.620	0	10	BJAE	
CCCCN(CCCC1=CCCCC1)C1CC1	2302354272	PALVEDXFUOJDNW-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](C)CCNC(C)C)CC1	2303581021	ZIECROAXRJDNHR-CZUORRHYSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC(c2nc([C@@H]3CC34CCC4)cs2)C1	2304486649	LEUHBFJDVXWKOZ-NSHDSACASA-N	247.407	4.704	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@@H]2C[C@H]3CCCC[C@H]32)n1	2307694107	MXILQCXEVFOLHJ-NJMOYASZSA-N	247.407	4.560	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CO)CCC[C@@H](C)CC1	2307877814	MUICMVONABBVRX-OWCLPIDISA-N	240.431	4.782	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)[C@H]1CCCC(C)(C)C1	2307895760	RMGYLTLGBYKSAE-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1CCC2(CC1)CC2	2307906901	AEXHTMXOWUHQTM-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CC[C@@H]2C[C@H]2CC1	2307923240	IOKWIFBUQXPHBI-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@@H]2CCCC[C@@H]21)C1(C)CCCCC1	2308572104	OOHFMBWDMMDAKU-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
N[C@@H]1CCC[C@@H](C[C@@H]2C[C@H]2C2CCCCCC2)C1	2311577735	KFOFAUYCGVWONI-SVGFKBNWSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312948318	RQNLFSRMMNLRTQ-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1C[C@@H]2C[C@H]1C[C@@H]2N	2313232814	OPWDQKOKOUIEHL-XBVQOTNRSA-N	249.442	4.523	0	10	BJAE	
CC1([C@](C)(N)C[C@@]23CCC[C@@H]2CC3)CCCCC1	2313349514	ZCRBMOUDOVFJFB-OIISXLGYSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCC[C@@H](C)NCC1(C2CC2)CC=CC1	2313572583	PWSPLDLDZRKMSP-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1ccc2ccccc2c1	2316508172	IMANKUWFZJHRBI-QGZVFWFLSA-N	239.362	4.586	0	10	BJAE	
CC(=CC=C(C)C1CCNCC1)CCCC(C)C	2316535858	KGQIIYSZCNJHDW-UHFFFAOYSA-N	249.442	4.705	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@H]1CCCC12CC2	2316885764	NVBUADBCJKPITO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@]12CCC[C@H]1CC2	2316999321	SFNAHCZLKWYIJQ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC=C[C@@](N)(CCCC2=CCCCC2)C1	2318581689	ZKECTBLOFVWKPF-KRWDZBQOSA-N	247.426	4.731	0	10	BJAE	
CC(C)(C)c1ccc2[nH]c3c(c2c1)[C@H]1CC[C@@H]1C3	2318849790	WIOUHCWUTJYXCB-PWSUYJOCSA-N	239.362	4.515	0	10	BJAE	
CC(C)CC1(C(=O)CC[C@H]2CC[C@H]2C2CC2)CC1	2319731845	WXBQNOMSMCKUSN-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)C1(C)CCCC1	2320387371	GMZBAOCJGLWILH-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)cc(NC[C@@H]2CCCC[C@H]2C)c1	2321089570	PBQDLTWCMCYNEM-OCCSQVGLSA-N	249.373	4.626	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H]2CCCCC[C@@H]2O)c1	2327681439	PYUVZKCBLGUQGA-WBVHZDCISA-N	246.394	4.527	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cc(C)ccc1C(C)C	2327701613	OTSTYVYOINXLPI-PBHICJAKSA-N	248.410	4.978	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1CC2(C1)CC21CCC1	2328282508	PQGODPDICYBOTQ-TUBUQKNSSA-N	248.410	4.742	0	10	BJAE	
CCCCCCNc1ccc(Cl)c(Cl)c1	20358985	NGSZWIUDRGZZBZ-UHFFFAOYSA-N	246.181	4.986	0	10	BJAE	
CC[C@@H](C)N[C@H](c1ccccc1)C1CCCCC1	21047213	CPBLFKUCPKISBR-RHSMWYFYSA-N	245.410	4.696	0	10	BJAE	
CC(C)c1ccc([C@H](N)CC2CCCCC2)cc1	36819778	FRFPERDJLUAYNU-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CCCCC[C@H](N[C@@H](C)CC)c1ccccc1	37186571	QEYADKOJUQGZHG-HOCLYGCPSA-N	233.399	4.696	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)C1CCCCC1	37267243	NTKDFDZBJFPRSW-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(c2ccc(C(C)C)cc2)C1	71109708	ZVVQHGIXKKCJKA-PBHICJAKSA-N	245.410	4.564	0	10	BJAE	
Cc1cc(C(C)(C)C)cc(C)c1[C@@H](N)CC(C)C	82612295	ZCMDUJYNUNQMHW-HNNXBMFYSA-N	247.426	4.647	0	10	BJAE	
CCCC(=O)CCCc1cccc2ccccc12	83820530	KLULSZCCBCYNFI-UHFFFAOYSA-N	240.346	4.532	0	10	BJAE	
CC/C(=C/C1CCCCCC1)CNCC(C)C	92726614	SWUDBAWZBINJMX-PTNGSMBKSA-N	237.431	4.539	0	10	BJAE	
CC1=CC[C@]2(C)CCCC(C)(C)[C@]23C[C@@H]13	100882949	WXQGPFZDVCRBME-AEGPPILISA-N	204.357	4.559	0	10	BJAE	
CCCC[C@@H](CC)CNc1cccc(F)c1F	110164885	PLLGRCMOAWBCKG-LLVKDONJSA-N	241.325	4.593	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cccc2ccccc12	112887168	SPBQXKDKWSNALH-DYVFJYSZSA-N	242.362	4.700	0	10	BJAE	
CC[C@H]1CCC[C@H](Sc2ccc(C=O)cc2)C1	123647842	IRGRKUYMULKZSX-WFASDCNBSA-N	248.391	4.560	0	10	BJAE	
CCCC(CCC)[C@H](O)c1cc(C)c(C)cc1C	125368660	FOCZUXDOJUBBLB-KRWDZBQOSA-N	248.410	4.862	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1C[C@@H]1c1ccccc1	128343857	XVMZZNWOUOKQJJ-NUEKZKHPSA-N	244.378	4.576	0	10	BJAE	
CCCCCC[C@@H](NC)c1cccc(CCC)c1	131491831	VWTSAMRBTNXBNC-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CCCCC[C@](C)(O)Cc1ccc(C(C)C)cc1	132850528	PHVBUCPDQLCMLM-KRWDZBQOSA-N	248.410	4.684	0	10	BJAE	
CCCC[C@@H](NCCC1CCC1)c1ccccc1	133948322	NTZBKXYWERUDKF-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CC(=O)c1ccc(C2CCCCC2)c(Cl)c1	136736885	ZKJZFNWOYCYXHP-UHFFFAOYSA-N	236.742	4.590	0	10	BJAE	
CCCc1ccccc1C/C=C/c1ccccc1	142250204	INCHTMJKAHJTSR-XYOKQWHBSA-N	236.358	4.895	0	10	BJAE	
Cc1ccc(C)c2c1oc1c(C)ccc(C)c12	166555042	YWFJFLMGMSOMOV-UHFFFAOYSA-N	224.303	4.820	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC[C@@H]2C(C)C)c1	214442739	OYMAPUQVAMNBOB-CVEARBPZSA-N	231.383	4.622	0	10	BJAE	
CC(C)=CCN[C@H](c1cccs1)C1CCCC1	228859719	DKWHSLRAKQJNNC-HNNXBMFYSA-N	249.423	4.535	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)CCC1CC1	229552514	JWAMCPIRKTTWRD-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C(=O)CCc1ccccc1C1CCC1	229634041	GNFVRZFXOWRDOX-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cc(C)c(O)cc1C	233828065	FLAJPNORFGMXET-BXUZGUMPSA-N	249.398	4.636	0	10	BJAE	
CN[C@@H](c1ccc(C)c(C)c1)C1(C)CCCCC1	234405630	VSMMNVBQOPEWDD-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CCCC[C@H]1CC	250374958	FEBWWHBEKRJTHL-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@@H](CC)[C@H]1C	250796249	AZCBTGGQQYPSNW-ZJIFWQFVSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(O)CCCC[C@H]1CC	251654962	GRKAUTMUPZSSSR-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@H](CC)C2)cc1C	302309850	NUHMTVVMTCTRLC-GOEBONIOSA-N	245.410	4.938	0	10	BJAE	
CC[C@@H](N[C@@H]1/C=C/CCCCC1)c1cccs1	302356262	GHOMYZJWMJMHAH-VAIDBEGPSA-N	249.423	4.678	0	10	BJAE	
CC1(C(=O)CCC2CCCCC2)CCCCC1	304124205	FKQFCVFXMWRKNG-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CN[C@H](c1ccccc1)[C@@H](C)C[C@@H](C)CC(C)C	305915721	GTKAFVBGJCIWDV-ZOBUZTSGSA-N	247.426	4.656	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC(C)(C)C2=CCCC2)C1	308754321	HOLKICDMJGOKNB-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)[C@H]1CCc2nc(C3CC3)sc2C1	310213662	HTESJBIKKKXPGT-NSHDSACASA-N	249.423	4.562	0	10	BJAE	
CC1(C[C@@H](O)[C@H]2CCCCC2(C)C)CCCC1	310348033	GKQVTFJVMGIDSJ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H]1C[C@H](C)c2ccccc2N1	310388181	QYUYLCPLNCYWKJ-JSGCOSHPSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)[C@@H](C)CC(C)C	310770046	SXNOLZQMUYWTOS-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CCC[C@@H](NCC1(C2CC2)CCC1)C1CCCC1	313408222	LTABSTYPNAJIPN-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@](C)(CC)CCC1=CCCCC1	317389469	FOVBATRFUJWYRK-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CC(C)(C)NCC1([C@@H]2C=CCCCCC2)CCC1	318173670	BDMAZJSJIPIEGE-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1cccc2ccsc12	318739625	KHTYWZVUBSLHTI-COPLHBTASA-N	248.391	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCCC23CCCC3)[C@H](C)C1	328273716	OBDLTRHOJKXGCW-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1[C@@H](O)C[C@@H](C)C1CCCCC1	380909144	SZRIOZVYCYQYEB-PBHICJAKSA-N	246.394	4.635	0	10	BJAE	
CCN[C@H](CC)[C@@H](C)CCCCCC(C)C	383391920	PAWLRWXIYMUKCF-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C)CCC[C@@H](C)C1CCCCC1	384003168	NDMGJWLVLWUEBQ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCNCCC(C)(C)C[C@@H](C)c1ccccc1	384691664	CQUKXNFCJBGFRE-OAHLLOKOSA-N	247.426	4.596	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CCC1=CCCCC1	385707749	LUVTVBQUSBRBAR-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1ccc2sccc2c1	386357371	VOJLIISBQFGXPF-IAQYHMDHSA-N	247.407	4.598	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@@H]2CC23CCCC3)C1	386883580	IWGVBHLGCPAWPU-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCC12CCC2	394732460	LNTZNVXFGIPXCW-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CCCCCC(C)C	394876468	XDUKRXVIGAUFFU-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
CCc1ccc(C(=O)CCC2=CCCCC2)cc1	395361765	LXXOXDHYVSQXLM-UHFFFAOYSA-N	242.362	4.712	0	10	BJAE	
CC[C@H](Nc1cscc1C)c1ccc(C)cc1	395705828	HNLYFIDJKFMVAU-AWEZNQCLSA-N	245.391	4.928	0	10	BJAE	
CCc1c(C)ccc2sc(C(F)F)cc12	396219840	LCRVZWKUGZGBJG-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
COc1ccc2c(C(F)F)csc2c1Cl	396296293	VFYNUJNWJMVTSL-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
Cc1cc(C(F)(F)F)cc2sc(S)cc12	396312536	XHUQRIOVGJZAIY-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC(C)c1ccc(C(=O)CCCC2CC2)cc1	405694300	FJTVXADWERSEQS-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CCC[C@@H]2CC)c1	689611051	JMOVHXBPIKIJSA-HOCLYGCPSA-N	245.410	4.802	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CC3CCC2CC3)C1	691697521	JSOXAMPXPRZFPB-WCMAUXFHSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(F)c1CC1CCCCC1	694940899	IYYILJLGMUGBRL-UHFFFAOYSA-N	220.331	4.511	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CCCC2(CC2)C1	695682026	XZIHOHYWTAGKSJ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](Nc1ccc(C2CCC2)cc1)C1(Cl)CC1	695698844	ZYCKQEWGPRKJPE-LLVKDONJSA-N	249.785	4.526	0	10	BJAE	
CCNC[C@H](CCC(C)(C)C)C1CCCCC1	696855835	MAWFDQWLFNGTHE-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)c1ccsc1	697757955	BAZWKDDPIIYULB-CQSZACIVSA-N	237.412	4.535	0	10	BJAE	
CC(C)=CCCNc1cc(Cl)cc(Cl)c1	697770674	FZAFNXJMPMLZBF-UHFFFAOYSA-N	244.165	4.762	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccc(CC(C)C)cc1	701076792	DMZSLDTWFCVFFD-INIZCTEOSA-N	248.410	4.745	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@@H](C)C(C)(C)C)c1	701486695	YQRUEIFXWNXYSR-DOMZBBRYSA-N	234.383	4.526	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)c1cccc(C(C)C)c1	701548580	IZGHJALAGXLBEL-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@]1(C)CC1(C)C	702211901	AUJPREBWVITEKO-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CCC1CCCC1	707542849	CEBPMTLVGLRJHJ-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@H]2CCC[C@@H]21	707834066	JPUPRLBGKSWUCR-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(N[C@H](C)[C@]23CCCC[C@H]2C3)CC1	709143331	AKPOSIOBFFGEPG-NCSWOWMGSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CCC(=O)C1CCCC1)CC(C)(C)C	709273219	NPDQLXHFHSMKHJ-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CC[C@@H](CC)C2)c1	709712605	PRLLUWJPJOPLPM-CZUORRHYSA-N	245.410	4.802	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNc2csc(C)c2)C1	710729544	SDABPEDSIRQYRI-QWHCGFSZSA-N	237.412	4.685	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1C[C@@H]2CCCC[C@@H]21	712378937	SQCBJJZHBNTWIE-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1ccccc1C(C)(C)C	713177348	UPSUNKXJCNIAIT-HNNXBMFYSA-N	247.426	4.810	0	10	BJAE	
CCC[C@](O)(CC(C)(C)C(C)C)c1ccccc1	713182469	JSEKBDNDLZRUGI-KRWDZBQOSA-N	248.410	4.747	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC(C)(C)C(C)C	713242981	PXOLREGRRBGOLC-AWEZNQCLSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CCC(C)=C(C)C)C1	718655843	ZPTWDHWUFKBTRO-PMPSAXMXSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC(C)C)CCC=CCCC1	719076480	JRNHYUFCHFKIHI-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC1CCN(CCC(C)(C)C)CC1	1657574033	HBTMQQSANIFCQG-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCCCNc1cc(F)ccc1C(C)C	1901681107	ALKMOPTVGJQLNS-UHFFFAOYSA-N	223.335	4.551	0	10	BJAE	
CCc1cscc1N[C@H]1CC(C)(C)C1(C)C	1902380518	CTPSKQRBWAERQG-LBPRGKRZSA-N	237.412	4.547	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@H](CCC)C(C)C	1905453923	NONMDXJKWZSNKN-RRFJBIMHSA-N	228.420	4.636	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@H]1CCC2(CCCC2)C1	1916442065	JBLKYKLMYNZENY-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NC)c1cccc(C2C(C)(C)C2(C)C)c1	1917173384	GCIJRHNNUDRMGI-CQSZACIVSA-N	245.410	4.507	0	10	BJAE	
CCCCCC[C@](C)(N)c1cccc(C(C)C)c1	1920183006	PQONYCHMTPUWQO-KRWDZBQOSA-N	247.426	4.954	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@@H]1C=CCCCC1	1925816564	IIJBIVWCYOLXOV-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(C[C@@H]2C=CCCCC2)cs1	1925880576	WHSJBGTXUCCXBM-GFCCVEGCSA-N	220.381	4.599	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2C=CCCCC2)c1	1925929839	KAWMXTWJSMUDML-OAHLLOKOSA-N	243.394	4.968	0	10	BJAE	
CCC(CC)CC(=O)CCCCCC(C)C	1926151288	CECMEOHRSPQHKA-UHFFFAOYSA-N	226.404	4.988	0	10	BJAE	
CCCc1cccc([C@@H](CC(CC)CC)NC)c1	1926371999	LOXAIKNXCUHFBT-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CC(C)c1cccc(Nc2cc(Cl)ccn2)c1	1940370307	NSIMNYYZAUKOOV-UHFFFAOYSA-N	246.741	4.602	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H](C)C1CC1)NCCC	1940724391	SAAOCVUZSIUVHL-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CCC[C@H]2CC2(C)C)C1	1940884492	YGYGONHIEMQSDJ-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC([C@@H](C)c2cccc(N)c2)CC1	1940977639	VDZPIMNAXWUKAB-IYXRBSQSSA-N	231.383	4.589	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](N)CCC1CCCC1	1941267332	QEGHOJDDASDTGQ-JKSUJKDBSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@H](CC)C(C)C	1941269274	OFTMQMGEKPHOIM-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C1CCCC(NCCCCCC2CC2)CCC1	1941582134	SKASTVVLPWRREN-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)[C@@H](C)C(C)C	1941585141	DMFXTVUXUOIFMY-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCCCCCC1CC1	1941586031	ISIBWIJOSFGGOJ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCCCC1CC1	1941588238	ZUDQVHXDPBZUNU-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCC1CCC(O)([C@H](C)CCC(C)C)CC1	1942664085	RHUPWQBCKDRCPJ-QQFBHYJXSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)C(C)(C)C1CCCC1	1944640694	MZEIKSAEIMRKJZ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C[C@@H]1CC1(C)C	1944742138	RSWZSWKGBLZLEM-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@@H]1CCC1(C)C	1945742014	JOUFCCMUSMNRKD-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCC[C@@H]1C(C)C	1947416635	BOKCSTUKJWGURV-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCC)CCC[C@@H]1C=CCCC1	1947588998	VNGUHQQWEUWSEC-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCCCCN[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1947855094	FJKIGWQKYWBPIU-MUJYYYPQSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C1CCC(C[C@H](N)C(C)(C)C)CC1	1948917125	KOPGBVMYCOWOER-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)C[C@@H](C)CCC1=C(C)C	1949010373	BWDVPLXPHHXNOP-BBRMVZONSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@H]2CCCCCCCC[C@@H]2O)C1	1949400215	UCRLIXZZEHXSOU-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CCCCC(=O)CC1CCCC1	1949857388	MENVXMIHPLTRHQ-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC1(C)C[C@H]1CCCC[C@H](N)CC1CCCC1	1949869201	JSMJDGUWRZNFSO-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CC12CCCCC2	1950598808	JEUXYRJPNWFJQG-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@](CN)(CCCC2CC2)CC1	1950914847	UFHJGCCKBCAQNQ-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC(C)CCC[C@@]1(CN)CCCC(C)(C)CC1	1950920520	WGMBVTZMQBWNMA-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CCC3(CCC3)CC2)C1	1965979356	ZYJQJZNLPMWRRZ-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCC[C@H](C)NC[C@@H]1CCC(C)(C)C1	1967715710	IWMYAELGYRPUSM-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CNc1cc(C(C)C)ccc1C	1968598365	XIDOZHKWWSXKBB-UHFFFAOYSA-N	233.399	4.967	0	10	BJAE	
CCCC1CCN([C@@H]2CCC3(CCCC3)C2)CC1	1970558747	BDIQRBVHCWJBPV-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCc1ccc(N[C@H](C)C2(C)CCC2)cc1C	1972020721	JIISMPHUDOGZKB-CYBMUJFWSA-N	231.383	4.548	0	10	BJAE	
CC[C@H](NCCC12CCC(CC1)C2)C1CCCC1	1973948935	OPRFORHOWJEGTG-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H]1CCCCCCC[C@@H]1NCC	1980342429	SOZRFGIVGIYFND-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@](N)(CC)CCCC(C)(C)C	1990089520	JCBHUHWMMJFAKQ-OAHLLOKOSA-N	227.436	4.891	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@H](CC)CCC(C)C	1990880407	HIKDZSJLTWZXMM-SOUVJXGZSA-N	227.436	4.568	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CC(C)C)NCC	1995263507	RQQDMSRVVMJQIL-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](NC2(C)CCCCCC2)C[C@H]1C	1995826809	NYHGFHAPQPYEGO-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
Clc1ccc2[nH]c(C34CCC(CC3)C4)cc2c1	1995980089	JBMXRLQWCSKAJI-UHFFFAOYSA-N	245.753	4.653	0	10	BJAE	
C[C@@H](CCCC(=O)CC1CCCCC1)C(F)F	1996109165	NCGZVPYPEAOMKY-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H]1CC[C@@H](C)C1	1996233528	XBTCAEDIBVKGSP-QLFBSQMISA-N	238.415	4.844	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)C1(C)CC=CC1	1997548875	KKWIDPSRUIBCED-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)CC1(C)CCC1	1998030619	SNVIKBCYLXVNBM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(S[C@@H]2CCCC(C)(C)C2)c1N	2000049346	XMYCRMBBHGFERY-GFCCVEGCSA-N	249.423	4.638	0	10	BJAE	
CCCC1(C(=O)CCC(C)(C)C2CC2)CCC1	2000195473	SUIMHNBSIVEGDX-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](C[C@@H]1CC1(C)C)C(CC)(CC)CC	2000376423	MSYOZRHNIINEGF-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNCC)C[C@H]1C=CCC1	2000503853	BICPJIHVYHKUAQ-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[C@@H]1CC1(C)C	2000514409	WSRGUSLUAKJAEK-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C1(O)CC2(CCCCCC2)C1	2000670267	NUSKMKRGMYNBCL-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)[C@@H]1CCCC(C)(C)C1	2000911788	RTMQQJBQOMWCHU-ZIAGYGMSSA-N	239.447	4.712	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@H]1CC12CCCCC2	2001258380	DYCWTCDJLQULLF-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1[C@H]2CCCCC[C@H]21	2002791522	MPTQXNIVUWPBHN-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NC1CCCCCCCC1	2003100861	SEEDTXWYMOSHRT-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C=CC[C@H](CC)C1	2006613149	HADDBUTUSRTYJU-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
C[C@H]1C(=O)CCC[C@H]1CC1CCC(C)(C)CC1	2006985611	AVOKOLZMJHSIRO-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C(=O)CCC[C@@H]1CC1CCC(C)(C)CC1	2006985613	AVOKOLZMJHSIRO-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@@H](C)CC(C)(C)C	2007935365	SZONOOVICWGDMW-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](NC)C1CCC(CC)CC1	2009593547	BORMXRWBDWRFAN-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@]1(O)CCC2(CCCCC2)C1	2009594838	UEXPIYSVNFAIMH-KZSQQDEKSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCN(C)C1CC(CCCCC)C1	2009781149	HSFWGRNBDOEDGP-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
Cc1cc(C(=O)C23CCCC2CCC3)c(C)s1	2012137171	VSLUYXIEEDXYPJ-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C1=CCC(C)(C)CC1	2013270853	MKRPFNTUZVEXBV-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CC1(C)CCCCC1	2013306810	PTXZRTMURXZNNS-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)[C@@H](CC)CC(C)C	2015279704	ZBMPTEMVGKAQIL-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CC1(CCC)CCC1	2015634638	SJBGBMUYSASGCD-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@]2(CN)CCCC[C@@H]2C)CCC1	2015643960	IFMCMZPCGMUUTJ-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CC1(C)CCCCC1	2016143053	CWYWEEPZAYMQRG-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)c1ccc2sccc2c1	2016409930	GLZMWQSLMDZSGO-BMIGLBTASA-N	244.359	4.520	0	10	BJAE	
CC[C@](N)(CC1(C(C)(C)C)CCC1)C(C)(C)C	2017139396	VAPZKHLJUKULIH-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1(C(C)C)CCC1	2017147940	IUWNMQQYFXZVGV-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)CC1CCC(C)(C)CC1	2017247451	ZQFFIDPMKSKLON-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CCCC[C@@H]1C	2017487198	PZANSSHVIXVFGM-NUEKZKHPSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](O)(C[C@H]1CC[C@H](C)CC1)C1CCCC1	2017651404	SXXLUNRUCRMTJZ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1CC[C@H](C)CC1	2017651857	ZBBGZZHSWPOHGU-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H]1CC[C@H](C)CC1	2018128762	FEUHDMWHGLDWRX-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1CCCC(C)(C)C1	2018135231	WRZQKYVIVKPHLQ-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@H](CC)NCC1CCC(C)CC1	2018138276	FEUHDMWHGLDWRX-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)N(C)CC1CCC=CCC1	2018189551	UUDZULUAWNCRGX-INIZCTEOSA-N	237.431	4.633	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](C)CC(C)(C)C	2019190713	NDGHUJZUZWDBBT-CABCVRRESA-N	241.463	4.959	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N(C)C1CC(C)(C)C(C)(C)C1	2019386580	ULPQOQGLPPHVKL-CHWSQXEVSA-N	239.447	4.568	0	10	BJAE	
CC=CCCCN(CCCC)C1CCCCC1	2020535029	AHDJCFFCAMRZHL-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H]1C[C@H]1C(C)(C)C	2022501272	GUEQXFPDAZFNRF-FMKPAKJESA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)C1=CCCCCC1	2026141862	GUNSUGZKKNFMCV-ZBFHGGJFSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@@H]2CCC23CCC3)n1	2026528393	DFLDBNDRYZMZBN-YPMHNXCESA-N	249.423	4.779	0	10	BJAE	
CC1(CCC[C@@H](N)c2ccccc2)CCCCC1	2027311715	NNHUCKVQAMPGMI-MRXNPFEDSA-N	245.410	4.827	0	10	BJAE	
CC[C@H](C)c1ccc2oc(CC(C)C)c(O)c2c1	2028129702	JZLQAVBRNNBXTF-NSHDSACASA-N	246.350	4.850	0	10	BJAE	
CC1(C)C[C@@H](N[C@H]2CCCC2(C)C)CC2(CC2)C1	2030289373	YBWJSIPKJKGGFY-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
N[C@H](C1CCCCCC1)[C@]12CCCC[C@H]1CCC2	2031758381	KIIYBUWLGHBDPT-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2032814455	BJLJPWCNUKMKSD-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CNC1(C2CCCC2)CC1)C1CCCC1	2034020229	USHSKFRRNPEYBD-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)C1(C)CCCCC1	2035576647	REJDOPLVIMIBQM-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)C2=CCCCCCC2)C1	2037077533	CJGQRMPGOGLWJG-BHYGNILZSA-N	249.442	4.811	0	10	BJAE	
CC(C)=C(C)CC[C@](N)(c1ccccc1)C(C)C	2037169416	UBEZKVHBIMRGTK-QGZVFWFLSA-N	245.410	4.633	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1C[C@H](C)C(C)(C)C	2037224495	HCTXGPSHQUPLGA-VNHYZAJKSA-N	245.410	4.904	0	10	BJAE	
C[C@H]1C[C@H](C[C@H]2CC[C@@H](C)C2)c2ccccc2N1	2037699168	QUHBATBFFDFIIW-CBBWQLFWSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@@H](CC)CC[C@](C)(O)c1ccccc1	2038167878	STLUXCGOAQGYKM-WBVHZDCISA-N	248.410	4.891	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(N)C1CC2(CCC2)C1	2043541499	SSYABCOMYRWXOF-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CC1)C[C@@H]1CCC=CCCC1	2045320465	NAOPILUVSVDDNS-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2C[C@H]3CCCC[C@H]3C2=O)C1	2045455763	VBNFXPSWHKJYDH-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
C1=CCC[C@@H](CN2CCCCCCCC2)CCC1	2046560241	PFCDKKHXSTUBOM-QGZVFWFLSA-N	249.442	4.779	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@H]1CC12CCCC2	2047052395	MNSARIZONDGDMD-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@@H]1[C@@]1(N)CCCCC12CCCCC2	2047563063	XOBGWUVAHMBCIV-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2049200930	ONONEGLGHAUZSD-SCAQPMJSSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@]2(C)C=CCCC2)c1	2050007296	DMPHSWQLGQMDFL-DLBZAZTESA-N	244.378	4.590	0	10	BJAE	
Cc1ccc([C@@H](N)CCC2CCC=CCC2)cc1	2050428370	FDQBWBHUQSKKKB-KRWDZBQOSA-N	243.394	4.521	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)c1cccc(F)c1	2050448607	KNEVCQQBTDFOFR-INIZCTEOSA-N	248.341	4.530	0	10	BJAE	
CCC[C@H](C)CC[C@@H](NCC)c1ccccc1C	2050457970	IUHOTLQEGVVGPW-WMLDXEAASA-N	247.426	4.862	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](c2ccccc2C(C)C)C1	2055140531	XYUQSLURENZQGE-ZIAGYGMSSA-N	244.378	4.673	0	10	BJAE	
CC1=C(C)[C@@](N)(C[C@H]2CCCC3(CC3)C2)CCC1	2055606798	FYTGBNRAHJKWKZ-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C2(C)CCC(C)CC2)c1	2056563343	XHBKPUPQEFRIHO-PDOTXMHQSA-N	245.410	4.520	0	10	BJAE	
CCC1CC(C[C@H]2c3ccccc3NC[C@H]2C)C1	2056644208	AFTGWXRNUKQAEF-UWLZSVRSSA-N	243.394	4.658	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C2(C3CC3)CCCC2)C[C@H]1C	2057594053	DLXZAUOYSCPGQC-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CC1([C@H](N)C2CC(C3CC3)C2)CCCCCCC1	2057819272	YLUCHNAJJGESAC-UYSNPLJNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@]2(CCN2CC2(C)CCCCC2)C1	2058198496	HLXDXEHFQDNUEP-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCC1(CC)CC(N)(C[C@@H]2CCC=CCCC2)C1	2058835379	OMVPWCUABDCNPT-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1cc(C)cc(F)c1	2059249184	FMQWCHKAGULYMV-NBUZRDOWSA-N	249.373	4.531	0	10	BJAE	
C=C=CC[C@@H](C[C@@H]1CCC=CCCC1)NCCC	2059446583	JLGFIAMSTPJLCA-SJORKVTESA-N	247.426	4.612	0	10	BJAE	
CCCCCC1CC(N)(CC2[C@@H]3CCCC[C@@H]23)C1	2059497542	NXIUFLLYDFVBJV-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1=CC[C@@H](C)CC1)[C@@H](C)C1CCCCC1	2060924190	CKJYLUVHRPAHRD-KEYYUXOJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@@]12CCC[C@@H]1C2)C1CCCC1	2061574869	MEABNRDSYNNXJI-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063524877	PNAJYALDJTUMFE-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCCCC[C@H](N)C1CC2(C1)CC21CC1	2063996454	JICAOLHMQXDNTH-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CC2(C1)CC21CCC1	2064010755	RSVKXRHWLDTGDO-OOHWJJMZSA-N	249.442	4.645	0	10	BJAE	
C1CCCC(CCNC23CCC(CC2)CC3)CC1	2065263464	ZELCMBWPYKGPLB-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCC1(C[C@H]2[C@H](CN)CCC23CCC3)CCC1	2069342060	LNAABPIVQHIZQR-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
CCCC1(C=C2CC3(CCC(N)CC3)C2)CCC1	2069344806	OKCATHSOKBMAPB-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC[C@@H]1CCC[C@@H]2C[C@H]12	2070400777	YEGHXDYNETZQET-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(=O)c1ccc(C(C)(C)C)cc1	2070948950	XGSUTELDTIMECZ-SJCJKPOMSA-N	244.378	4.603	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@H]1C)C1=CCCCCCC1	2072092159	RWPBNRSXLCCFQM-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC2(CC3CC3)CC2)CC1	2072794027	PPYOKQDNCJZNQZ-KOMQPUFPSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C[C@H]1CC[C@H](C)CC1	2072803794	MABXVMAYXVJXPU-DAXOMENPSA-N	245.410	4.520	0	10	BJAE	
CCC[C@](N)(C[C@]12CCCC[C@H]1C2)[C@H]1CC1(C)C	2074034703	SGUQPZQBYITRII-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC(=O)c2cc3cc(C)ccc3o2)CC1	2074596166	YHDIZOBYDMMEJQ-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CCCC[C@H](CC)N(C)Cc1ccc(CC)cc1	2074922449	QCSZUHGHTKPHSR-KRWDZBQOSA-N	247.426	4.650	0	10	BJAE	
CC1CCC(N2CC[C@@]23CCCC(C)(C)C3)CC1	2075116197	INZINCDSLFVIKB-VMBOVVBDSA-N	249.442	4.610	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1C[C@H]2CC[C@H]1C21CC1	2078335682	XHLHLAQEBJMALN-KLHDSHLOSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@H]1C[C@@H]1CC	2079264761	JJFPYMNNKVCTIO-XJKSGUPXSA-N	245.410	4.578	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@H]1C1CCCCCC1)C1CC1	2079487974	SVGGRZYJLMSGHG-UHOFOFEASA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1NC1CCC2(CCCC2)CC1	2079529544	MCPYNHAUHADFFC-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1N[C@H]1CCCC12CCCCC2	2079532747	VDHKRADHUZDNNA-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCC1CCC1)C[C@H]1C[C@H]1C1CCCCC1	2079630863	YGRMUOABBIULNR-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079867554	UYCSBWGTZKPNCH-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCc1cc(C)cc(C)c1C	2082904355	XICIDECAVSCPBV-OAHLLOKOSA-N	247.426	4.526	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC(C)(C)C1(C)C	2084370746	JUAAFISHTGJJSZ-HNNXBMFYSA-N	245.410	4.876	0	10	BJAE	
C1=C[C@@H](CC[C@@H]2C[C@@H]3COC[C@@H](C3)C2)CCCC1	2085906481	SDVOAMALOUPYKX-WCXIOVBPSA-N	248.410	4.576	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2c1ccccc1C1CC1	2088954229	XBPZMEHPURGMLB-MRXNPFEDSA-N	249.357	4.512	0	10	BJAE	
CCC[C@](N)(CC)CCCCCCC1CC1	2210524968	KECFJMCBAZKMMG-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCCCC[C@@](N)(CC)CCCCC1CC1	2211113728	LQJLONZGPBHIFC-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CC[C@H](O)[C@H](C)CCCCCCCC1CC1	2212449757	DJZWFAZSKUFWTA-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](O)CCCCCCC1CC1	2213575718	ILOGYNRLRQKMKS-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CCCCCCC2CC2)C1	2213580950	QPTJNENIJOTJOI-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
C(=C/c1ccccc1)\CC[C@H]1C[C@H]2CC[C@H]1C2	2213825218	QNNQZLRTKXNSEA-AKIIIIIDSA-N	226.363	4.916	0	10	BJAE	
Cc1cc(SCCCCC2CC2)c(C)cc1N	2214561040	SHXDGDCZLUGFMD-UHFFFAOYSA-N	249.423	4.558	0	10	BJAE	
C[C@H]1CC[C@@H]1CC(=O)C1(C)CCCCCCC1	2215104219	FQFJJBOZCFHKCR-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@@H]1CCCCCCCC[C@H]1O	2215233834	RBQMIAVNHJRNKT-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H](C)C2CCC2)CC1	2215821806	RIQDWGIQMXLABH-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](C1CCCCC1)C(C)(C)CCC	2216285447	LTCSJLNWLPPUHH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C(CCCC1CC1)CCNC[C@@H]1CCCC12CC2	2218715371	UJVZYJVZXNACBK-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](O)c1ccc(C(C)C)cc1	2220851404	PBQXZYAWWGQDPF-KBRIMQKVSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2(C)CC3(CCC3)C2)C1	2221036779	BZMJUHGNCAHXOY-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](c1c(C)cccc1C)[C@@H](CC)C(C)C	2222014032	NPVCXEPLFSXWBA-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C=C2CCCCC2)C1	2222261085	RXJPEDXPXDPXND-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)(C)C1=O	2245473405	UWPGANCKZBMBNV-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](O)C2(C)CCCC2)C1	2246723849	BUAIBFLVBPQEKV-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1Cn1ccc2ccc(Cl)cc21	2247396998	FRSLQWLFTYMZDW-GFCCVEGCSA-N	247.769	4.731	0	10	BJAE	
CCCCCC[C@H](N)CC[C@H]1CCCC12CC2	2247621928	LWDLMVRNINBBDI-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1(N)CCCCCC1	2248805231	FSOFGIKAVVPIAO-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@@]1(O)CCC[C@@H](C)C1	2248869934	KRHXQRIKZJZYIA-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@@H]1CCCC2(CC2)C1	2250351118	AEDMFWFCOFSDNU-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H](CC)CCC	2250354650	FNOBKPQZIJHIBP-IBBQAADRSA-N	239.447	4.927	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCC1CCCCC1)NC	2250366671	MSEXMZOHZLWYFY-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)[C@@H](N)C(C)C	2250469608	QGUUVKFPPGVLTF-XHSDSOJGSA-N	241.463	4.848	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)C1CCCC1	2250469749	SBSMFVMWJGTDOB-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@@H](N)CC[C@H](C)CCCC(C)C	2250479172	QSDYSEWJZDRCQT-UGUYLWEFSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1C[C@@H](C)C[C@@H]1N	2250482344	UBKVRINLKHYKHH-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CCCC(CCC)N[C@H](CCC(F)F)C(C)C	2253272756	PBWBOZPUYXOBBJ-CYBMUJFWSA-N	249.389	4.615	0	10	BJAE	
CC=C(C)[C@H](C[C@@H]1CCCCC12CC2)NCCC	2253791324	HJLLWADLMRRKFA-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)[C@@]2(C)CC=CCC2)C1	2253935553	OKOTYJUVKZPLLU-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1(CC2CCC2)CC1	2254581238	FZDZWTRLFXHPKM-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2255028053	VKNNWQOXYAWTNX-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
O[C@@H](CC[C@H]1CCCC12CC2)CC1=CCCCC1	2255277003	WZVRNQUXYJNENV-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCCCC12CC2	2256144006	IZYHZZCCFGVUHZ-AWEZNQCLSA-N	247.357	4.523	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC1C[C@@H]2CCC[C@H](C1)N2	2257337337	FEQKQNJBTMZRGG-BWNFHQQQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](N)(C1CCC1)C1CC1	2257362769	UPLGLRWGYHHWLL-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@@H]2CC=CCC2)c1	2257954462	QDMGTKWZBCUGAT-CQSZACIVSA-N	243.394	4.752	0	10	BJAE	
Cc1cc(C)cc(OC[C@]23CCCC[C@H]2CC3)c1	2260647420	OYYOPEXSHAFPAV-DOTOQJQBSA-N	244.378	4.653	0	10	BJAE	
CC1([C@@](C)(N)C[C@@]23CCCC[C@@H]2CC3)CCCC1	2260672188	OFDDMEBDWKQCNR-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C[C@H](N)c1cccc(C2CCCC2)c1	2260673404	JWIMQVKXXVJSBQ-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC(C)[C@H](C)C(=O)c1cccc(C2CCCC2)c1	2260727322	NXRQNLLJZGFHTA-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)CC1CCCCCC1	2298878143	IWZGEEFRLQDASH-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CCC1=CCCCC1	2300474272	GTAFBUWKDKMXHC-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1C[C@H]1C1CCCC1	2300700271	KVGJUYKUPVZUHJ-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H]1[C@@H](N)CC1CCCCCC1	2301145856	SNMKKKRKUTWLOC-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1CC1CCCCCC1	2301245036	RPSLXLBWTLEXFR-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@@H]2CCCC[C@@H]2N)CC1	2302511946	AMFWHZWOSVBRET-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CC(F)(F)C(C)(C)CC(=O)CCCCC1CC1	2302571850	OKSLYIXCCKTWBE-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
C/C=C/CCC[C@H](CCC[C@H]1C[C@H]1C)NCC	2302611176	BLDCBDOJYNVTMD-BSUXDPLCSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H]1CCC(C)(C)C1	2302752276	CBOCZMXTXMQUML-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303495139	HZXUVPIDWAPZFJ-MELADBBJSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@H](C)NCC[C@@H]1CCC(C)(C)C1	2304359934	IMVXDROVRDANTE-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@](C)(F)C(C)(C)F	2307645497	IIVCXFMBPQKYDP-KGLIPLIRSA-N	249.389	4.541	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CO)CCCCC1(C)C	2307870813	ANMJCTKPEPYSRD-HOCLYGCPSA-N	240.431	4.782	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1(C)C(C)(C)C1(C)C	2307906035	BJKAZADFLGLVEH-OLZOCXBDSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NCC[C@@]12CCC[C@@H]1C2	2310375085	OURYVMNYXARCCF-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
O=C(CC[C@@H]1C[C@H]2CC[C@@H]1C2)CC1CCCCC1	2313182250	DBUZBSVTJFOQLY-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
N[C@H]1CCCCCCC[C@H]1C[C@@H]1C[C@H]2CC[C@@H]1C2	2313184701	KBQHQFXJPIVWID-QEOTZNIISA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H](C)CC2CCC2)cc1C	2313703344	AYXKEDAOVJEKNQ-CQSZACIVSA-N	244.378	4.621	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316738483	IHYSEEHKJZAOKX-HRCADAONSA-N	248.410	4.908	0	10	BJAE	
Cc1ccc(OC[C@@H]2C[C@H]3CCC[C@H]2CC3)cc1	2316874200	KGSOTFPXEOUGKX-JYJNAYRXSA-N	244.378	4.590	0	10	BJAE	
CNCC1(CC2CCCCCC2)CCC=CCC1	2316938510	QHRFPXPRFKSJCZ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@H]1CCC2(CC2)C1	2317906967	MJTWCXZBRITWFP-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CCC[C@](N)(c1ccccc1)[C@@H](C)[C@H](C)C(C)C	2317911510	KNBFPIRNIXPZKS-HLLBOEOZSA-N	247.426	4.569	0	10	BJAE	
O=C(CCCCCC1CC1)C[C@@H]1CC[C@H]1C1CC1	2319491421	HTAYMUXDDMEZQM-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC[C@H]1CC[C@H]1C1CC1	2319632278	JDPUHIHMUZGLHD-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@H]1CCC(C)=C(C)C1	2320230325	GJGFLJVIHNLQNH-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CC[C@H](C)CCC2=O)CC1	2320349128	XASKEJNVNPIIIZ-MAZHCROVSA-N	248.410	4.908	0	10	BJAE	
CCC1CCC(C(=O)[C@H](CC2CC2)C2CC2)CC1	2320703720	VABVJBUYXOIRKN-VDSRIPIWSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H](C)c1ccccc1	20306108	LUFNBCXEKIZTDM-JKSUJKDBSA-N	247.426	4.739	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@H](C)C(C)C)cc1	20522742	LGKJOESIUSGOJV-ZIAGYGMSSA-N	233.399	4.505	0	10	BJAE	
CCc1ccccc1N[C@@H](C)c1ccccc1C	20557881	QONWFASPOVMDBC-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1C[C@@H](C)CC(C)(C)C1	21013899	BDHSLVJXVOLBEC-BXUZGUMPSA-N	249.373	4.761	0	10	BJAE	
CCCCC[C@H](N)c1cc(Cl)ccc1Cl	37378527	PTCBBXXJCPFCMT-LBPRGKRZSA-N	246.181	4.574	0	10	BJAE	
CC[C@@H](Nc1ccccc1C(C)C)c1ccco1	54082642	XGVMMUCNMPNBFO-CQSZACIVSA-N	243.350	4.966	0	10	BJAE	
CN[C@H](CCC(C)C)c1ccc2ccccc2c1	54440698	SYTWBFKFKHZVCH-QGZVFWFLSA-N	241.378	4.537	0	10	BJAE	
CCCC[C@@H](CC)Nc1c(C)cccc1CC	69376980	IBKFNAZUGXBNCR-OAHLLOKOSA-N	233.399	4.938	0	10	BJAE	
Cc1ccsc1[C@H](C)N[C@H](C)CCC(C)C	69635993	HXZJTQPCEAMSIU-OLZOCXBDSA-N	239.428	4.532	0	10	BJAE	
CCCCc1ccc(Nc2ccccc2)cc1	72266064	YXHPHOIIKDVNPT-UHFFFAOYSA-N	225.335	4.773	0	10	BJAE	
Cc1ccc([C@@H](N)CC(C)(C)C)c2ccccc12	79904587	CNFRJGVHGVOTBL-INIZCTEOSA-N	241.378	4.584	0	10	BJAE	
Cc1ccc(N)c(-c2ccc(C)c3ccccc23)c1	79905347	ZHKPRSZMGURPLH-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CCCCCC[C@@H](O)c1cc(C)c(C)cc1C	86493563	MZWFSSYUMIVPJS-MRXNPFEDSA-N	234.383	4.616	0	10	BJAE	
CN[C@H](c1ccc(C)cc1)C1CCCCCCC1	86578986	KOTRCIXZZLNLAE-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCCCC(C)(C)CNC1CCCCC1	87399065	VRGXGEDXPVBFEN-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCC1CCC([C@@H](O)c2ccc(C)cc2)CC1	87960554	PQLISOGQEFMRQH-PREGVCBESA-N	246.394	4.635	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1/C=C/CCNC(C)(C)C	93674141	HTGWTDSEBNUWOP-QQAGXBGCSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](N)CC[C@@H](C)c1ccc(C(C)(C)C)cc1	107537514	STMUBHCZHWGYTD-CZUORRHYSA-N	247.426	4.605	0	10	BJAE	
C/C=C\C[C@@H](C)c1ccc(CCC)s1	107545428	RAYRWLGFVBCTPD-VLWUPBBWSA-N	208.370	4.770	0	10	BJAE	
CC[C@H](Nc1ccc(OC(C)C)cc1C)C(C)C	109912169	LTLOFXBUOQILKT-HNNXBMFYSA-N	249.398	4.629	0	10	BJAE	
CCCc1ccc([C@H](O)C[C@@H](C)C(C)(C)C)cc1	111653842	DQXKNFFMJMDVDH-CZUORRHYSA-N	248.410	4.745	0	10	BJAE	
CCCCCC[C@@H](C)[C@@H](NCC)c1ccccc1	128548685	ZGOQDUMVMPQNOR-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C1CCCCCC1	133319697	MIZWTEPBANHEOQ-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cc2cc(C)ccc2o1	135551683	PTNDWWPQZIDMKN-RISCZKNCSA-N	246.350	4.601	0	10	BJAE	
C[C@@H](CCC1CCCCC1)c1ccc(N)cc1	139228998	AUKNLXFZBBXTOQ-ZDUSSCGKSA-N	231.383	4.733	0	10	BJAE	
N[C@@H](CC1CCCCCC1)CC1CCCCC1	161072810	YYKWPWQVTDTUJP-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)c1ccccc1[C@@H](N)CC1CCCC1	162784132	YEGAEWMFKOCHSF-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
Cc1sccc1[C@@H](N)C[C@@H](C)CC(C)(C)C	227913961	IGKKYVZGYIVZMU-MFKMUULPSA-N	239.428	4.519	0	10	BJAE	
CCC(C)(C)CN[C@@H]1CCC[C@H](C(C)C)CC1	232982071	HBTLMBYQOVNKNO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1CC[C@H](CC)C1	251243851	AHCJJURSRIDMRC-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)[C@@H](N)[C@H](c1ccccc1)[C@@H](C)CC	253046192	PQRPCJNVDKYSHO-RRQGHBQHSA-N	247.426	4.580	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CCCC(C)(C)C)C1	300914065	SJMNHVDZRGZTDO-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCC(CCC)[C@@H](CC1(CC)CCC1)NC	310171919	UFCHUVPOFTXOFH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C1(CCC)CC1	310223649	XOKDOBKVGJOKAM-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCCCc1ccc(N[C@H]2CC[C@H]2C)cc1	310339779	CMDHJJVDNGWKQQ-CJNGLKHVSA-N	231.383	4.630	0	10	BJAE	
CC[C@H]1CCC[C@](CNC2CC2)(CC2CCC2)C1	317563867	CPRQYITWJJUOMF-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@](CNC2CC2)(C2CCCCC2)C1	319120790	AQARKDDSESLVCG-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	319526500	BNOGSYYJVJJOLH-XUXIUFHCSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)CC1CCC(C)(C)CC1	379761085	DPEUCYVJPJEYTA-UKRRQHHQSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC12CCCCC2)C1CCCC1	382814203	WFHOPHHJERMXRR-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](CNC(C)(C)C)C[C@@H]1CCC[C@@H](C)C1	383895529	MQCRSDHLXFEGPY-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H](COc1ccccc1Cl)c1ccccc1	385042932	ZKMGCTVORINOHH-LBPRGKRZSA-N	246.737	4.523	0	10	BJAE	
CCCN[C@H](c1ccccc1)C(C(C)C)C(C)C	385391135	GYQPFLLERTUVIE-QGZVFWFLSA-N	247.426	4.656	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCCC12CCCC2	385830059	QIGSINVQGISQJS-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CCC1(C[C@@H](N)c2ccc(C(C)C)cc2)CCC1	386643875	RRSICMHTFKCQSS-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
C[C@H]1C[C@@H](Nc2ccsc2Cl)CC[C@H]1C	387275722	UMJGHIPEQMYZQS-UTLUCORTSA-N	243.803	4.638	0	10	BJAE	
CCSc1ccccc1NCC[C@@H](C)CC	394407973	RHMSKEGQOCLVLO-LBPRGKRZSA-N	237.412	4.647	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H](C)c1ccccc1	395225538	AHGRDXAFOXSBEV-GOEBONIOSA-N	234.383	4.512	0	10	BJAE	
CC[C@@H](NC(C)(C)CC(C)(C)C)[C@H]1CC1(C)C	397671416	JERLNLQBCQWLDH-CHWSQXEVSA-N	239.447	4.616	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)c1cccc(C(C)C)c1	688940605	VHJRXOODEQIZRD-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
C[C@@H](CC1CCCC1)NC1CCC(C)(C)CC1	689811586	ZMERAXNPFYHOGX-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CCC[C@@H](C(C)C)C1	695102208	YYDMKXFNKVKWGU-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CN[C@H]2C=CCCCCC2)C1	695337871	ZDVIXJRAIPIIBG-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCCC[C@@H]1C1CC1	696102243	CCLZLBRWAWNMPO-GDBMZVCRSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCC[C@H]2C2CC2)C1	696111762	RJKUVWHHUDBZDX-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc([C@H](O)CCC(C)(C)CC)s1	696566550	FYQVJOKODFSFBW-GFCCVEGCSA-N	240.412	4.560	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1cc(C)ccc1C	696570402	CPSOWTYOLJVGPA-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1cc2ccccc2o1	696574614	RPTGTWJPFCHFDR-CYBMUJFWSA-N	245.366	4.649	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1CCC[C@@H]1C	697762059	RPNJNZWDJXVJEU-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCNc1ccc2sccc2c1	697777762	NVZGKLXSGVGKRI-UHFFFAOYSA-N	231.364	4.670	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CCC1CCCCC1	701116615	RNPSGGAKJLGRTK-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)C(C)(CC)CC	701197103	DWZGKKGPOUQNAB-KBPBESRZSA-N	227.436	4.602	0	10	BJAE	
CN[C@@H]1[C@@H]2CCCCCC[C@@H]2C12CCCCCC2	701805885	VLHUPQURDUJCQC-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2c(ccn2[C@H]2CCCC[C@@H]2C)c1	704954001	RBHJMCHZGWPFFX-ZFWWWQNUSA-N	227.351	4.701	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@@H]3CCC[C@@H]32)ccc1C	707727460	XLQWDWRPHRXNRH-BHYGNILZSA-N	243.394	4.548	0	10	BJAE	
C[C@H](NC1CCCCCCC1)[C@]12CCCC[C@H]1C2	709153738	JNVSVYRKJRDHOQ-YQQAZPJKSA-N	249.442	4.658	0	10	BJAE	
Cc1cscc1[C@@H](N)C[C@H](C)CC(C)(C)C	709162903	ISVKKRZQHQJXHK-GWCFXTLKSA-N	239.428	4.519	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)CCCC12CCC2	709173780	CRRRWAGLUJLEDQ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](O)C[C@@H](C)CC(C)(C)C)C1	709244796	PWQNJUYBFVKBDU-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
CCc1cccc(CC)c1NCC(C)(C)C(C)C	713183306	QWTCLZGREFCPKS-UHFFFAOYSA-N	247.426	4.906	0	10	BJAE	
CCC1(CC)NCC[C@@H]1C1CCCCCCC1	721851663	OYCNCUZQYNEHIP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
N[C@]1(CC2CCCCC2)CC[C@H]2CCCC[C@H]2C1	723610834	CGYNXBLRGFNJBR-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CNc1ccc(-c2cccc3ccsc23)cc1	723885767	BARPEQSEPMOEGX-UHFFFAOYSA-N	239.343	4.610	0	10	BJAE	
Cc1ccc(CSC2CCCCC2)cc1	1188309227	AWXRXIOGQIKYKU-UHFFFAOYSA-N	220.381	4.561	0	10	BJAE	
Cc1cc(O)cc(-c2ccc3sccc3c2)c1	1206234270	PUMOZMCVMADNFK-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CC(C)(CNC1CCC2(CCCC2)CC1)C1CC1	1308536380	FHVZOSVWQZGWFA-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NCc1c(C)cccc1C)C(C)(C)C	1617986611	AMCVPMCABQPIOH-INIZCTEOSA-N	247.426	4.608	0	10	BJAE	
CCCCCN(C[C@H](C)c1ccccc1)C(C)C	1658259102	OCJVALXRKFLDDS-INIZCTEOSA-N	247.426	4.691	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CCC2(CC2)C1	1876379577	HRCMABMURMFHGV-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CCC2(CC2)C1	1876379579	HRCMABMURMFHGV-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@@H]2CCC2(C)C)n1	1901911926	KZCOIZAFYVQNQL-VHSXEESVSA-N	235.396	4.560	0	10	BJAE	
CCC=CCN[C@@H](C)c1ccc(C(C)(C)C)cc1	1911824127	OHELQJVTTVYSEF-AWEZNQCLSA-N	245.410	4.601	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)C1CC2(CCCC2)C1	1912644927	IFVIIYHJLNNFNR-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CC(C)CNC[C@@]1(C2CCCCCC2)C=CCC1	1916380482	OETUQMRFWNBOII-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCCNC[C@]1(CCC2CCCC2)C=CCCC1	1916568320	ILTVXEIIYGRXNJ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C1CC(CCC)C1	1921275049	AARKGXWGRPQNCL-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CN[C@H]1CCCC12CCC2)C1CCCCC1	1921499737	RYYXWRFUBRVWNK-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Clc1ccsc1C[C@@H]1C=CCCCC1	1925879263	JPZIRVHZIYQYHT-SNVBAGLBSA-N	226.772	4.690	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C[C@H]1C=CCCC1	1926194222	SLKHQWDFBJGXHM-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cc(Cl)sc1C	1933603451	VWKYTWUFXICQKK-PELKAZGASA-N	245.819	4.536	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CCCC(C)(C)C	1936206925	LZZRPCSYVRJHBK-UONOGXRCSA-N	227.436	4.602	0	10	BJAE	
CCCCC(=O)CC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1939116913	FUQZFWDUKYCWRM-WDNDVIMCSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC2(C)CCCCC2)[C@H](N)C1	1940400789	DBZKKMMOQNMZPK-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC1(CCC[C@]2(O)CCCCCC2(C)C)CC1	1940873760	RONFQJGXLAZLOC-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC1CCC([C@H](O)CCCC2(C)CC2)CC1	1940874419	UTRZAFCLPKRZHA-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC)NCCC[C@H]1CC1(C)C	1940878352	VUFIHIBRTKYJLW-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@@](C)(CC)CCC[C@H]1CC1(C)C	1940880764	BUOAXVLXEGGSSX-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC[C@]1(CCC[C@@H]2CC2(C)C)CCCCCN1	1940884811	VDWFIDSPSCPXSO-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@H](CC)C(C)C	1941265398	VLRGYNBRZYNJBM-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CC1=CCCC1)NCC	1941268613	HUIFFCSUKQSLRY-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)[C@]1(CNC(C)C)CCCC1(C)C	1944475875	QKXULEIYPLRYIZ-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCCC1(C)CCCC1	1947454986	BPQNFMHWLLQFLR-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](CC1CC2(CC2)C1)NCC	1948685391	HYWVWOVIOSEWHE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)[C@H]1CCC2(CCCC2)C1	1949435457	TXNDPOFUVIMQKI-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1CCC2(CCCC2)C1	1949497339	QMXVGSGQWJMICH-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(F)(F)C(C)(C)CCC(=O)CC1CCCC1	1949858627	ZVWHIWMYDICLHW-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
OCC1(CC2=CCCCCCC2)CCCCC1	1950372745	PSCHPYFMHSDVOW-UHFFFAOYSA-N	236.399	4.600	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@H]2C=CCCCC2)C1	1957986645	MCRBBFXAOGNDDR-QLFBSQMISA-N	206.373	4.949	0	10	BJAE	
C1=C[C@@H](C[C@H]2[C@H]3CCCC[C@H]32)CCCC1	1960869881	PQJCQGRJGAYDLQ-APIJFGDWSA-N	204.357	4.559	0	10	BJAE	
Cc1ccc(OC[C@@H]2CCC(C)(C)C2)cc1C	1968307121	DRFHCNILUUMPJQ-CQSZACIVSA-N	232.367	4.509	0	10	BJAE	
CC[C@@H](Nc1cc(C(C)C)ccc1C)C(C)C	1968598540	ZIXZZPQDVBXHCT-OAHLLOKOSA-N	233.399	4.965	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC2(CCC2)C1)[C@@H]1CC1(C)C	1972536473	VUMPINHQYRDWTO-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CC(NC[C@H]2CCCC23CCC3)C1	1973679014	HREDTXFINQZGNC-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1cc(C(F)F)cs1	1977081444	QNMWAWIQDAZPAL-SNVBAGLBSA-N	247.354	4.512	0	10	BJAE	
CC(C)(C)CC[C@H]1CCC(C)(C)CCC1=O	1984461451	DTNAIGNUUNANGB-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
C1=C[C@H](CCC2C[C@H]3CCC[C@@H]3C2)CCC1	1986157706	VPLRGPOMQSWHOA-NUEKZKHPSA-N	218.384	4.949	0	10	BJAE	
CCCCC(C)(C)NCC1(CCC)CCC1	1987101545	IRBMDSUNADFETB-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@@H]1CC[C@H](C)C1)C(C)(C)C	1996264017	CHLJLQGKSACBLA-GBJTYRQASA-N	240.431	4.636	0	10	BJAE	
CCCC(C)(C)[C@@H](CCC1CCCC1)NCC	1996615918	JVBNHLMDRDFUKS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)C1(C)CCCCC1	1997013547	HQSZZVNWPQARPW-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(N)CCCC2(CCC2)C1	1997040081	PZFRCWRTASYKAJ-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC1(CN[C@@]2(C)CCCCC2(C)C)CCC1	1997426450	NGOONINSUILORV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC([C@@](C)(O)C(C)(CC)CC)CC1	2002928413	YAVQBQUHBAJPCD-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CCCCCC1CCC([C@H](N)C2CCC2)CC1	2003067962	ZGVZMXKYIYMGJA-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
Cc1csc(C(=O)C[C@H]2CCCC3(CC3)C2)c1	2003283954	CCIWBGFGGASQGG-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](CC2CCC(C)CC2)C1	2006672809	GTRHGKQLMSTTQS-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
CCC1CC(C[C@H](N)C2(C)CCCCCC2)C1	2007755494	YURVBQHOAKVUIM-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCCCC(F)(F)C1	2009570000	VTMLJWKPKFXOQO-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
C/C=C/CCCC1(O)CCC(C(C)(C)C)CC1	2009594774	SZIYGKMXKRTBGL-AATRIKPKSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](C)CC[C@@H]1NCCC	2009619633	NKFGXOJLRRIYDV-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N)([C@H]2CCCC[C@@H]2C)C1	2009790960	FOJAANRUJBDFQE-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)c2csc(C)c2C)CC1	2010769153	NZNXSTNGYKEQFP-DOMZBBRYSA-N	249.423	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC[C@H]2C[C@H]2C)C1	2011569502	GVHPNSUDHCJPDK-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)NC1CC(CC)(CC)C1	2013274148	MSBMRVVRMREHRW-CQSZACIVSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)C1(C)CCCC1	2014338728	JIGXMUVZJICYRJ-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](CC(C(C)C)C(C)C)NC	2015285570	XRQZVTOHHAEEFC-GOEBONIOSA-N	241.463	4.575	0	10	BJAE	
CCC1CCC(N)(CC(C(C)C)C(C)C)CC1	2015400408	PTXZNJJNIARCGN-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(N)CCCC12CCCCC2	2015402867	XZRSILZZUADAEE-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)C[C@@H](C)C(C)(C)C)CCC1	2015598582	WZGJNKCRCKEBDY-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C[C@H](C)CC(C)(C)C	2016144666	KKDJEVPBDOOVCY-GDBMZVCRSA-N	240.431	4.946	0	10	BJAE	
CCCNC[C@@](CC)(CC(C)=C(C)C)C(C)C	2017463766	MOEZTAKIKAFHJT-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC)(CC(C)=C(C)C)C1	2017466915	QFRFVLVABWSBDX-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC1CCC(C[C@]2(O)CCCC[C@@H]2C)CC1	2017658476	RWEHYHDOSVXNJY-SLTXQBBLSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@H](N)CC(CC)CC)CC1	2017722618	HCSKEOVIBFRLFK-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CC1(C(C)C)CCC1	2017788051	NSDGDPBWNMRNBV-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CC(c2nc(C3(C)CC3)cs2)C[C@@H](C)C1	2018302362	NONHYZBNRURIDY-QWRGUYRKSA-N	249.423	4.734	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)[C@H](C)C1CCC(C)CC1	2019383697	DKVWBJZKVDRYOB-ZMUBYXEMSA-N	239.447	4.568	0	10	BJAE	
CC[C@@H](C)N(CC)C1CCC(C(C)(C)C)CC1	2019405774	YIPQHYJQYYXBEE-WLYUNCDWSA-N	239.447	4.712	0	10	BJAE	
Cc1ccsc1[C@@](C)(N)CCC1=CCCCC1	2019865541	GFGRYBNUBNFUPM-HNNXBMFYSA-N	249.423	4.511	0	10	BJAE	
CC[C@@H](Nc1ccccc1C1CC1)C1CCC1	2021026106	KWEDBCGNKYVTQY-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@H]1CCCC(C)(C)C1)NC	2024101440	KQDRBOBJBFLCQW-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C=Cc1ccccc1)NCC	2028584130	REPDTHZYPWGTKU-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(C2(C)CC2)cc1	2028589850	DONLSJKKGOWNOG-ZDUSSCGKSA-N	244.378	4.747	0	10	BJAE	
C[C@H](CC(=O)c1ccccc1C1CCC1)C1CC1	2029076413	ZDOSVXXMAQPKBZ-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](c1ccccc1)C(C)C	2029966683	LHUMFTRBNLYQQZ-WBVHZDCISA-N	247.426	4.800	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2030243641	YHHFUKVTBCRZBQ-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNc1cccc(C2CCC2)c1	2032512436	AXPKFPMHCOWMSC-CJNGLKHVSA-N	243.394	4.802	0	10	BJAE	
CC1(CCC[C@@H](N)C23CCC(CC2)C3(C)C)CC1	2033435553	SQDXOECCCFGGFZ-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1C[C@@H]2CCCC[C@@H]2C1	2034143724	GPARDDXNFNRCAO-BTTYYORXSA-N	247.357	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC1C[C@H]2CCCC[C@@H]2C1	2035403538	KHUDCCDACZSXRO-ANQUJSFKSA-N	249.442	4.514	0	10	BJAE	
CC(C)NC[C@@]1(C[C@@H]2C=CCCC2)CC[C@@H](C)C1	2035585766	HCMFGAYXCUBNPD-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(N2CC[C@@H]3CCCCC[C@@H]3C2)CC1	2036488782	JSNZGBGWMNORQA-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@]1(N)CCC1=CCCCC1	2037174263	FATYWGTWQWVNBX-OIISXLGYSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](N)(CCCC2(C)CC2)C1	2037178835	BAXXCIDZDVUTOY-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(CC2CCC=CCC2)C1	2037208334	VGROZWPVDZZFOE-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CCCc1cccc([C@@H]2CCC(C)(C)C(=O)C2)c1	2037856284	PFVNDQKAOUZEER-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CCN[C@@H]1C[C@@H](C[C@@H]2CC=CCC2)CCC1(C)C	2037866310	YDRLEOTWTKZSSF-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CC1CC2(CCC2)C1	2038085287	JXHJOVQSXQQVIB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cccc(C2(C)CC2)c1	2040719069	JIYZIEUJOLSXPU-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1CCCC2(CCC2)C1	2041290920	VCHBTZLCRMSDMT-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C=CCCC2)CC1	2041375494	IPFFWRSAOIJKGE-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CCC[C@@H](N[C@@H](C)CC1=CCCCC1)C1CCC1	2043187987	PVFWVAWVRXDBNN-WMLDXEAASA-N	249.442	4.824	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@H]2CCC=CCCC2)[C@H](C)C1	2045309315	FQELKJGRRBMCCA-ZJIFWQFVSA-N	248.410	4.764	0	10	BJAE	
C1=CCC[C@@H](Cn2ccc3ccccc32)CCC1	2045310254	BUABODPKMOATRG-OAHLLOKOSA-N	239.362	4.778	0	10	BJAE	
C1=CCC[C@H](C[C@H]2Cc3ccccc3N2)CCC1	2045318046	RFWPLKYRSJLCCO-HOCLYGCPSA-N	241.378	4.550	0	10	BJAE	
Cc1oc2ccccc2c1C(=O)CCCC1CC1	2045584635	HZIWOSNIMHLFHP-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CCN[C@H](CCCC1CC1)C1=CCCCCCC1	2045800466	VQCKYGYKKAVJCN-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2046489019	VBZHIASGPOZZRX-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCN(C[C@@H]1CCC=CCCC1)C1CC1	2046555213	NNFGOBJNWGAOKD-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
CC1CCC(C[C@H](N)C[C@H]2CCC23CCC3)CC1	2047933535	USFSLZSRIJLLJQ-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2[C@H]3CCCCC[C@H]32)CCCC1	2048447129	QTBXIANTRVCJLV-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CNCC1(CC2CCC3(CC2)CC3)CCCCC1	2049847588	CCGPSOBGLWQAPQ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC[C@]1(C)NCC1CCC2(CC1)CC2	2049848949	MVYUCRLWRXCHAN-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@]2(C)C=CCCC2)cc1	2050009606	NQOQLLLKCGIZNR-KRWDZBQOSA-N	242.362	4.739	0	10	BJAE	
CCNC[C@]1(C2CC=CC2)CCCC(C)(C)CC1	2053708381	ZDKIDDBOHSAUIT-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)CN1CC(C)(C)Cc2ccccc21	2055496394	SZVHKJKEFGSHIW-UHFFFAOYSA-N	245.410	4.512	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CCCC(C)(C)CC2)CCC1	2055552730	RVNXLSZGJIDDIT-HZPDHXFCSA-N	249.442	4.824	0	10	BJAE	
CC1=C(C)[C@@H](NC[C@@H]2CCC=CCCC2)CCC1	2055552809	SNOCJOTVEAXSOM-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@]1(C)CC1(C)C	2056873755	QJVDNHOOYUTNMT-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C1=CCC(c2ccc(Oc3ccccc3)cc2)C1	2057431239	JJBNOCPLNQWPDW-UHFFFAOYSA-N	236.314	4.913	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2=CC[C@@H](C)CC2)CC1	2060921747	NILQFQGJISUIAO-AIANPOQGSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H]1CCC[C@@H](C)CC1	2061565918	HRIQICCNGXMHNP-ZACQAIPSSA-N	249.442	4.692	0	10	BJAE	
CCc1cc(NCC[C@]23CCC[C@H]2C3)ccc1C	2061572125	OXGHEDRQTZNHNW-RDJZCZTQSA-N	243.394	4.550	0	10	BJAE	
CC(C)=C(C)CCN(C)CC1CC(=C2CCC2)C1	2061684520	HIJISYZZGANAEJ-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCCCCC23CC3)c1	2062016112	DJFTUTQKQYXOSB-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@H]1CCC=CCCC1	2070306145	YBEIBLZCOFBZNF-DLBZAZTESA-N	249.442	4.977	0	10	BJAE	
Cc1ccc([C@@H](O)CC2(C(C)C)CCC2)cc1C	2071896878	IUHRCKIRDWGMPZ-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc([C@@H](O)CC2(C(C)C)CCC2)c(C)c1	2071897769	TULPCQPBMNYEPO-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@@H]2CC=CCC2)CC1	2072793694	MPRYVJHUQOOOJN-BHUNQDJPSA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)C[C@@H]3CC[C@@H]3C2)CC1	2072805652	DSTKCBGIIKFGTG-NDQLQDMOSA-N	249.442	4.501	0	10	BJAE	
CC(C)(NC[C@@]12CCCC[C@@H]1C2)C1CCCCC1	2074047260	PMCFLBBXSHUDFC-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)[C@@H]1CCCCC12CC2	2074647363	WSNYDTSLZSNOIV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1Cc2ccccc2[C@@H]1C	2074895888	LNPTUJYAYQLXIW-JJRVBVJISA-N	243.394	4.532	0	10	BJAE	
CCCC1CCC(CN(C)[C@@H]2CC=CCC2)CC1	2075294161	QVKPUDIKRLFHTQ-OFLPRAFFSA-N	249.442	4.633	0	10	BJAE	
CC(C)[C@@H](Nc1cccc2ccccc12)C(F)F	2077236753	BSMCUUOCJBLGFV-CQSZACIVSA-N	249.304	4.541	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)[C@H]1CCCCC12CCC2	2079845212	XOAACNIDRJIAJB-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCCCCc1cccc([C@@H](CC)NCCC)c1	2082715445	POEXCWWKBDIFTH-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CCC(CC)CCN(C)Cc1cccc(C)c1C	2082955352	DYCKCDHSOMLAMK-UHFFFAOYSA-N	247.426	4.562	0	10	BJAE	
CC1(C)CCC[C@@H](Cn2ccc3ccccc32)C1	2082989733	BYRLVMFHIXWFSP-CQSZACIVSA-N	241.378	4.858	0	10	BJAE	
CCOc1cc(F)cc(C[C@H]2C=CCCCC2)c1	2083686246	QCJXILWCWIMEJC-ZDUSSCGKSA-N	248.341	4.513	0	10	BJAE	
CCCCC[C@](O)(CC)c1sc(C)cc1C	2210569660	LIGVNACKNYTKRI-CQSZACIVSA-N	240.412	4.543	0	10	BJAE	
CC1(C)CC[C@H](CCCCCCC2CC2)CN1	2213576399	PJTSPKNZZVZLPG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](CC(C)C)C(F)F	2213853711	DAPWWTJCQIWZKT-QWHCGFSZSA-N	249.389	4.615	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218344455	VNTZPNLEOVRVJW-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CC(NC2CCC(C3CC3)CC2)C1	2218899369	WAHPGCMMAWDLCF-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)C1(C)CC2(CCC2)C1	2221003225	CTJNHTSSAIAXDM-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](N)[C@H]2CC[C@H](C)CC2)CC2(CCC2)C1	2221038522	GGDSBAOAEOHFCD-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CNC2CC(C(C)(C)C)C2)CC1	2221640230	KEYSGEKJMUXQRJ-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H]2CC=C(C)CC2)CC1	2221667627	MARDBVNXDMIMJC-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](N[C@H]2CCC23CCC3)C1	2222255241	FNXZDXASGWSJSD-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C[C@H]2CC=CCC2)C1	2222259245	KGMNGZXUFLMRNF-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
C[C@]12CC[C@@H](NCCCCCCCC3CC3)[C@H]1C2	2223118908	NOHBSVXOFHTQIH-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CCCCCCCC1CC1	2223130434	MSNQPOPBDINFSS-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@]1(CNC2CCC2)CC12CCCCC2	2223570103	XIDOKMYTOICGQZ-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CCC1(C(=O)CC[C@H]2CCC[C@H](C)C2)CCC1	2246658828	DEXCAEWUCQVHAF-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@@H]1CCC1(C)C	2247307576	NHFBUDHMQMVOLH-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H]1CCC1(C)C	2247387375	RNTMBJNOEOLJEJ-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
Cc1c(Cl)cccc1[C@@H](N)CC1=CCCCC1	2247459786	ZBKRLRBVLRCSJO-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1CCCC12CC2	2247623907	VXMRKNNVRYITNS-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1CC=CCC1	2248813385	DWOOHWYVCDHTFV-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
O[C@@H](CCCC1CC1)c1ccc2ccsc2c1	2253089261	HQOFXEZCKCQNBP-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CCNC[C@]1(CC[C@H]2CCC[C@@H](C)C2)C=CCC1	2253940068	XRMOWMJPZJOMMZ-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCc1ccc(NCCCC[C@H]2C[C@H]2C)cc1	2254544384	PHUPENRPDRFJAZ-ZBFHGGJFSA-N	245.410	4.877	0	10	BJAE	
Cc1cc(C)cc(N(C)CCCC[C@H]2C[C@H]2C)c1	2254586394	OQSDBSIDLAFRJB-CVEARBPZSA-N	245.410	4.566	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@@H]2CCC2(C)C)cc1	2254835401	UMBSYHYLMRDSPF-JKSUJKDBSA-N	246.394	4.670	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C(=O)CC1=CCCCC1	2255049080	GMBBKHRYXZZQPF-DZKIICNBSA-N	246.394	4.518	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNCC2=CCCCC2)CC1	2255099886	MDTMMBSIUYOMLL-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H](NCC[C@@H]1CCCC12CC2)C1CCCC1	2255247314	QJEYSOGDBNRHLT-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@]23CCC[C@@H]2C3)c1	2257904995	FNQNPHLDBACVRY-RHSMWYFYSA-N	243.394	4.586	0	10	BJAE	
Cc1cc(NC[C@H]2CCC[C@H](C)C2)cc(C)c1C	2258234769	DSEHKPJTYHBIOR-LRDDRELGSA-N	245.410	4.850	0	10	BJAE	
CCC[C@H](CC)C(=O)CCC=Cc1ccccc1	2259434319	ALUZDRGFSVCVJT-INIZCTEOSA-N	244.378	4.875	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@]23CCC[C@@H]2CC3)CC1	2260486713	DBBNPKKBILNRFK-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@@]12CCC[C@H]1CC2	2260501318	PEEGMFJKDAGISX-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@]23CCC[C@@H]2CC3)cc1	2260576867	BFFHQGNQYAGIQQ-WBVHZDCISA-N	242.362	4.538	0	10	BJAE	
Cc1cccc(OC[C@@]23CCCC[C@H]2CC3)c1C	2260580738	XKTXBGYBZNSPQN-RDJZCZTQSA-N	244.378	4.653	0	10	BJAE	
C[C@@H]1[C@H](CNc2cccc(C3CCCC3)c2)[C@@H]1C	2260717278	UIMKTWROBALMJK-FVCICTRLSA-N	243.394	4.658	0	10	BJAE	
CCC[C@H](C)C(=O)c1cccc(C2CCCC2)c1	2260736219	UJGKUFRPKVTOEX-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CC1CC(CCC(=O)CC2(C)CC3(CCC3)C2)C1	2261514727	RJGMTNUBUQYRAI-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC[C@@H]1C[C@@H]1CC)NC	2298127096	OVHNMPFHSISWCS-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC(=O)c1cccc(S[C@H](C)CC2CCC2)c1	2298892627	IUATWKFBMFFDIB-LLVKDONJSA-N	248.391	4.560	0	10	BJAE	
Cc1ccc(C(C)C)c2cc([C@H]3C[C@@H]3C)[nH]c12	2300647276	VOQCDEDEDAVLPN-AAEUAGOBSA-N	227.351	4.723	0	10	BJAE	
CCC(CC)CCC(=O)[C@]1(C)CCCC1(F)F	2300700812	NVRVOYFMJRNNQA-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)N(C)CC=C(C)CCCC(C)C	2300883433	FTDGAIUCTUAHDE-UHFFFAOYSA-N	239.447	4.879	0	10	BJAE	
CN[C@@H]1CC[C@H](CC=C(C)CCCC(C)C)C1	2300886781	ALOJZXMSLHRPQB-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CC[C@@H]1C[C@H]1C	2300902924	ZDZZLZXWSWTERL-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)NCCCC1CCCCC1	2301687958	GKIGCMUOJUTHMD-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N(C)CCC1CCCCC1	2301701331	OESBQKIZBWKSMP-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCCc1ccc(N[C@@H](C)[C@@H](C)C(C)C)cc1	2301827218	ZTTNUKJRMUBWFV-KBPBESRZSA-N	233.399	4.732	0	10	BJAE	
CCCCCC[C@@H](O)CCCC1=CCCCC1	2302325449	HSKIXJNYBSCFDW-MRXNPFEDSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC(CC[C@]2(C)CCCCN2)CC1	2302541048	XODZILNWWBLYCA-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCc1cscc1NC[C@H]1CC12CCCCC2	2302890295	SJVNKHDMLUDXIY-CYBMUJFWSA-N	249.423	4.693	0	10	BJAE	
CCC(CC)[C@@H](C)NCC[C@@H]1CCC(C)(C)C1	2304362532	VZLUWDVXJKFRIO-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCNCC[C@H]1CCC(C)(C)C1	2304365538	YILKWSDSKSBRDP-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(O)CCCCCC1(C)C	2307835188	OMBWVVZTIKWBOS-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1C(C)=CCC[C@@H]1C	2307879384	RGAAHMJBIIQVOY-VGWMRTNUSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCC(C)(C)[C@@H]1NC	2307899709	RHAHDFRJCLIAFL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@H]1C[C@H]1CCC	2307908345	GTANFRYXMYNAKD-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCCCC1(C)C	2307925858	KNPRQRHKQANJRD-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309180783	KMFKCSVLPQREIK-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCCN1CC[C@@H]2CC[C@H]1C2	2312596653	NLSFYUUKILISHD-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
CCC(CC)CC[C@](O)(c1ccccc1)C(C)C	2316247971	KFYMUCOJMPZRNG-QGZVFWFLSA-N	248.410	4.747	0	10	BJAE	
CCC(C)=CC[C@H](N)c1cccc(C(C)(C)C)c1	2316534863	FDANQMUVJVXOIA-INIZCTEOSA-N	245.410	4.730	0	10	BJAE	
CC1(C)CCC[C@](N)(CCCC2=CCCCC2)C1	2318583076	LDDTVMXYXJWOMS-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
C[C@@]1(CC[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCCN1	2318844598	WSAVPNCIVXVURP-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)[C@@H]2CCC(C)(C)C2)CC1	2318993092	JJLCADWJDYAHOD-NUEKZKHPSA-N	249.442	4.523	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC[C@@H]2C[C@@H]21)C1CCCC1	2319353349	DSQPEOQDDKQWHQ-LTIDMASMSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@@H](CNCC2(C)CCCCC2)CC1	2320232222	RCXNOHWAQVIZBY-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@@]1(N)CCC12CCCC2	2320247837	RBLLPKWVDLQKGV-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(N)CCCCC2(C)C)CC1	2320388233	OBLVPFACSYAITK-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@H]2C[C@H]3C[C@H]3C2)CC1	2320416048	GZCPJUJNNIGZIF-FPCVCCKLSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)c1cccc(C2CCC2)c1	2320659010	VSYZIGFQKOZNLX-TZMCWYRMSA-N	242.362	4.573	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](N)c1cc(C)ccc1C(C)C	2327706655	BVFNPLLYNPTTEC-UKPHBRMFSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1ccccc1C1CC1	2328290061	CLCIFUGVAOZHLO-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CCCCCC[C@H](C)NCCC1=CCCCC1	20520142	CHGCYOCZAVDZMF-HNNXBMFYSA-N	237.431	4.825	0	10	BJAE	
CC(C)SC(SC(C)C)SC(C)C	32202215	KIOJAVFXGJULQK-UHFFFAOYSA-N	238.487	4.695	0	10	BJAE	
CC(C)CCC(=O)c1cccc(Cl)c1Cl	55200017	SRAPAZWAICPLAA-UHFFFAOYSA-N	245.149	4.612	0	10	BJAE	
CCCN[C@H](CCC)c1cc(CC)ccc1CC	70535845	GIKTYJPPLOHLLS-QGZVFWFLSA-N	247.426	4.652	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCCC[C@@H]1C	83948326	GJMHVDDCHRHPEK-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CC(C)[C@H](Nc1ccsc1)c1cccs1	85529008	ADZXAAXRHKATHU-LBPRGKRZSA-N	237.393	4.619	0	10	BJAE	
CCC(=O)C1CCCCCCCCCCC1	86161621	WXRQJMCCCQXJMP-UHFFFAOYSA-N	224.388	4.886	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H](C)CC2)ccc1F	86889958	LUOWQICCSVOPQP-WCQYABFASA-N	235.346	4.515	0	10	BJAE	
CCC(=O)c1cc2cccc([C@@H](C)CC)c2o1	88071818	QWARVAIMLGPGQW-JTQLQIEISA-N	230.307	4.539	0	10	BJAE	
C[C@H](Nc1ccsc1)c1cc2ccccc2o1	90866672	RIWVFRUUNRRVJX-JTQLQIEISA-N	243.331	4.667	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2C[C@H](C)CC(C)(C)C2)c1	91510796	WEAWCPLIGPHKED-WFASDCNBSA-N	249.373	4.761	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCS[C@@H]2C)c1	94475766	OIEBITXAEODHDQ-DOMZBBRYSA-N	249.423	4.506	0	10	BJAE	
Cc1cc(C)c(C)c(-c2cc(N)sc2C)c1C	105882756	NIQXXQBNBDNTRY-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1-c1ccc(N)s1	105882765	AUIWGORLCPLGBS-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
C/C=C\C[C@H](C)c1cc(Cl)c(C)cc1OC	107620144	YCDQTJCYUYCDST-OMMCCPJFSA-N	238.758	4.727	0	10	BJAE	
Cc1ccc(F)c(NCCC2CCCCC2)c1	125037927	WAAYFDWCDLDQFE-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCC(CC)CC(=O)C1CCC(C)(C)CC1	127909562	QPJLVURHRAUZMY-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@@H]1CCC[C@@H](C)CC1	148461617	XGCXITSNLIZRRX-VNQPRFMTSA-N	245.410	4.614	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)[C@@H](C)C2CC2)cc1	163452986	JBOOQNTVKODARP-DCGLDWPTSA-N	245.410	4.507	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)C1CCCCCC1	168056287	ZNGYWLCEUDHJGB-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)c1ccc(C(C)(C)C)cc1	226524571	GRHTZZUEVBHROB-IUODEOHRSA-N	244.378	4.603	0	10	BJAE	
CCCCCC[C@@H](NCC)c1cccc(CC)c1	228849394	WCGWNMRIGDHJFE-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
Cc1cccc(N)c1NCCCCCCC(C)C	232540971	XFKHDJXGGCVWHH-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
CCCCc1c[nH]c2c(Cl)cc(Cl)cc12	233007387	LBOGYCDLWDFVGU-UHFFFAOYSA-N	242.149	4.817	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@H](C)CCC	233123488	CNYOYWVMNCPWTL-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@@H]2CCC23CCCCC3)C1	235376810	ZCYJXXGDOBNJMU-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H](C)CC)NCC	253040709	KQQNZFYMLTWQCV-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
Fc1ccc2ccn(CCC3CCCCC3)c2c1	302287272	WGPLFBBYUGEZMV-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1	302430067	SBZAYGBNEIXOKB-YLZDHBLKSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	304148503	NOTSJUCYQAQSDF-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@H](C)C(C)(C)C	304241032	DFZMIVHCOFISIR-HZSPNIEDSA-N	228.420	4.636	0	10	BJAE	
CC(C)CCCCN[C@H](C)CCC(C)(C)C	304433060	TWNYXRUURUQXTK-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1csc2ccccc12	305978456	HQRAEZPEWDTOEM-NHYWBVRUSA-N	248.391	4.761	0	10	BJAE	
CC1(c2cc(Cl)ccc2Cl)CCCC1	306948978	AMQGRLLTJNLKJR-UHFFFAOYSA-N	229.150	4.825	0	10	BJAE	
CCCC[C@@H](CC1(C)CCCC1)NC(C)C	309253042	ANTOCPAZULJXAR-AWEZNQCLSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCC[C@@H](C)C2)cc1F	310775237	QEVWRYKMBWKOAV-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
CNC[C@@]1(CCCCCC(C)C)CC=CCC1	317250215	ORBXJQBLZUFCFI-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(N)CCC(C(C)(C)C)CC1	319649590	OXYBZLISFLZOPR-ILGZHXLLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](Nc1ccccc1SC)C1CCC1	322300353	AYOPVUGYHBNHME-CYBMUJFWSA-N	249.423	4.789	0	10	BJAE	
CN[C@@H](C)CC(C)(C)CC/C=C/c1ccccc1	323923672	OMDARNHJSWTVSK-JQVXPOPVSA-N	245.410	4.504	0	10	BJAE	
CCC[C@@H](C)CN[C@@H]1CCCCC12CCCC2	380116240	LSYRUYOPDDAVFF-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@H](Nc1ccc2sccc2c1)C1CCC1	382280566	OOQQSPQQCUUWGK-JTQLQIEISA-N	231.364	4.502	0	10	BJAE	
CC[C@H]1CCCc2sc(-c3ccccc3)nc21	383238017	CKFJHZOIDKIPTA-NSHDSACASA-N	243.375	4.640	0	10	BJAE	
CN[C@H]1CCCC[C@H](CCCCCC(C)C)C1	383240388	VDIYMGHVPVLCEW-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CC[C@H]1CCc2ccccc2N1	394081183	QFGGVRPWYKAXOH-ZFWWWQNUSA-N	231.383	4.630	0	10	BJAE	
Cc1cc2cc(C)c(C(F)(F)F)cc2s1	396190967	BQWXHDCIHSRJQJ-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCOc1c(CC)cc(Cl)c2ccsc12	396196476	XLKYDBMHJGEVAW-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1cc2scc(C)c2cc1C(F)(F)F	396196546	KTFPZBDBOFKDPA-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CSc1cccc2c(C(F)F)c(F)sc12	396244498	NTQBLADILXMQMZ-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
Cc1c(S)cc2ccsc2c1C(F)(F)F	396291298	BNOAOSHGTZJDLG-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CSc1cc2c(C)c(C(F)F)ccc2s1	396404854	KHPAXOCQCABMRF-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)C[C@H]1CC=CCC1	402148297	MXTDVCHUEGUJIY-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@H]1CC=CCC1)CC(C)(C)C	402245079	HRFIZEBIXCDPLI-QLFBSQMISA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](C[C@H]2CC=CCC2)C1	402367516	ZIEWAYKMXZJFJS-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC(C)(CC[C@H](N)CCC1CCCC1)C1CC1	405783538	CNBUCZSYKVIUSL-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCNC/C(=C/C1(CCC)CCC1)C(C)C	686134038	SMRQCJIMSQJILD-QINSGFPZSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H](CCCC1CCC1)[C@@H]1CCCC2(CC2)C1	688388358	HUJZSVQAECHKSO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1Nc1cccc(C2CC2)c1	690074936	GYGBNPBXQWYSGG-IIYDPXPESA-N	243.394	4.801	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc(C2CC2)c1	690149048	BVRQEQKIRSNEFJ-GFCCVEGCSA-N	217.356	4.555	0	10	BJAE	
CC(C)NCC1(C[C@H]2CCC[C@H](C)C2)CC=CC1	690486127	SEDFZYDZVRULQN-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC[C@H]2C)c(C)c1	691070691	KZURNNDKCZSFLA-HIFRSBDPSA-N	231.383	4.684	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1Nc1ccc2[nH]ccc2c1	691139507	OQSJWSJYXYMCHM-DOMZBBRYSA-N	242.366	4.549	0	10	BJAE	
CC1(C[C@@H](N)c2cccc(C(C)(C)C)c2)CCC1	691655504	WRMTWCJKTLDPKR-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CC(C)(C)NCC/C=C\C[C@@H]1CC2CCC1CC2	691698904	HYKGAUUXAISFDX-UWENSZNPSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@@H]1CCCC1(C)C	696558689	DUPHCKDQSJGLDK-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc([C@@](C)(O)CCC(C)(C)C)c1	701576805	HNQDJLYQNGJWNE-KRWDZBQOSA-N	248.410	4.844	0	10	BJAE	
C/C=C\[C@@H](NCCC)c1csc2ccccc12	704672989	VFOXYEOVBJJWDC-NMNMAYGDSA-N	245.391	4.518	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCC12CCC2)C1CCCCC1	704818443	MFHLOSVWMDSZML-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@H]1CC[C@H]2CCCC[C@H]2C1	704926540	LRCVZSFPKQAUPA-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
C[C@H](C[C@@H]1CC(C)(C)CC[C@@H]1N)CC(C)(C)C	709075030	CZVWWGAPCQIVHR-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC(=O)C12CCC(CC1)C2)CC(C)(C)C	710885429	GOCNKSHQROLWDI-FUJMWEONSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C[C@H](N)C1CCC(C)CC1)C(C)(C)C	711114188	QVBFZHODGHCEKY-WUCCLRPBSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]2CCCC[C@@H]21)C1CCCCCC1	712493445	XDTJGDRCUPMNEI-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC(C)(C)CC)NC	713136622	UNBIFZGNECVZMU-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714497078	BYKINROTSSSQKP-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccccc1NCC[C@H]1C[C@@H]1C1CC1	714866940	RSCVKBJBBVZQJK-GOEBONIOSA-N	243.394	4.658	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)NCCCCC2CC2)c1	716398907	QXQSKEPBZZANEH-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CN[C@@H]1CC(C)(C)CC[C@H]1CCCC(C)(C)C	717463077	JHTCVPVUECZMJR-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCN[C@@H](C)C1CCCCCC1	718520798	QXQFTCSSFGMESI-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1c(C)csc1C	724960298	CJPRUYONLPMZSV-OCCSQVGLSA-N	239.428	4.581	0	10	BJAE	
Cc1cc(C)c(-c2ccnc3ccccc23)c(C)c1	1239548845	RMQWFQPGISAECM-UHFFFAOYSA-N	247.341	4.827	0	10	BJAE	
CCC(C)(C)CCN(C)C[C@@H](C)c1ccccc1	1559523425	QVGSODJBYLVILM-OAHLLOKOSA-N	247.426	4.548	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1ccc(C)cc1F	1620889923	PBDWBVOFHFLYML-KBPBESRZSA-N	247.357	4.538	0	10	BJAE	
CCC[C@H](C)CCNCC[C@@H](C)c1ccccc1	1659927410	CDDMZSGKFTXLOQ-JKSUJKDBSA-N	247.426	4.596	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N[C@H]1CCCCC12CCCCC2	1875420360	RJIWKCHHWNTULJ-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@]2(CCN2CCCC2CCC2)C1	1875948577	FSRBYWSHXUQWCZ-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(OCc2ccccc2)c(C)cc1Cl	1880072481	UZUMNCYWRQXJCE-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCC(C)=CCCC[C@H](C)C(F)(F)F	1888065797	JYCHDXVDKUPRPS-JTQLQIEISA-N	208.267	4.711	0	10	BJAE	
CCC(CC)CCC(=O)c1cc(C)c(C)s1	1900713214	NQQAILWAMZVOAD-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)C[C@@H](C)C(C)(C)C	1901682734	POJJONDSNFIDTF-FRRDWIJNSA-N	226.404	4.556	0	10	BJAE	
CCCOc1ccccc1-c1ccsc1C	1901899621	YEYGHJLBAHSGFB-UHFFFAOYSA-N	232.348	4.512	0	10	BJAE	
CC(C)C(c1nc([C@@H]2C[C@@H]2C)cs1)C(C)C	1905256575	HBSZYBLUNVBYHU-WDEREUQCSA-N	237.412	4.662	0	10	BJAE	
CCC[C@@H](CC)COc1cc(Cl)ccc1C	1905447311	WLWZOETVOOIVEL-GFCCVEGCSA-N	240.774	4.854	0	10	BJAE	
CCCSc1ccccc1NC[C@@H]1C[C@H]1CC	1905722020	DKHFNULCHBUTFE-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CCC1CCCCC1	1908596466	WTZXKUIGEDHLMW-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCC(=C[C@H]1CCC[C@H](CC)C1)CNC(C)C	1911910897	LOCDHWAKDOZOGT-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC(=C[C@@H]1CCCC[C@@H]1C)CNC(C)(C)C	1911979010	BAKIYZMSEDXGAN-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H]1CCCC1(C)C	1911994579	QAVVKXFDALAZAI-HOTGVXAUSA-N	249.442	4.703	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C1CC2(CCCC2)C1	1912602873	AIISAJHDTNYWDC-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CCCC=CCN[C@@H](CCCC)c1ccccc1	1914682090	MAPJNJNGYLKJDA-KRWDZBQOSA-N	245.410	4.864	0	10	BJAE	
CCCN[C@H](CC)c1ccc([C@H]2CC2(C)C)cc1	1916482988	AZXQGSSYFPFQRC-HZPDHXFCSA-N	245.410	4.651	0	10	BJAE	
CCCCC[C@H](NCCC)C1CC(CCC)C1	1921278371	LLWUNUGYCPJZJH-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C(=O)c1cccc(C2CC2)c1)C1CCCC1	1924135380	KNEHGGRZHXFXLR-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CC(C)c1csc([C@H]2CCCC2(C)C)n1	1930067448	UAFLSERNKITSES-SNVBAGLBSA-N	223.385	4.560	0	10	BJAE	
CC(C)(CC[C@@H]1C=CCCC1)C(F)(F)F	1932607525	SORZNAFIHUWOEB-SNVBAGLBSA-N	220.278	4.711	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CC1(C)CCCCC1	1935622319	FTCSPFOGTMSMIC-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CCC(C)=C(C)C	1936194607	CSUDOIOKILPCLE-CABCVRRESA-N	226.404	4.556	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](c2nc(C3CC3)cs2)C1	1937456933	GXVCIPHVRAUEKW-IAZYJMLFSA-N	235.396	4.560	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H](C)C1CC1)NCCC	1940724393	SAAOCVUZSIUVHL-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)CC1CCCCC1	1940877218	PBIOMJRCSAFHQH-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CNCC1CCC=CCC1	1941814453	CYZKZVNFEQUAJV-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@H](N)CCC(C)(C)C)C1	1944203528	OCXOLCQVAWAITC-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C(C)(C)C1CCCC1	1944619347	WTWNQIZFZRCCOB-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](O)CCC1CCCC1	1944624152	WVGHEAIQMXSPDB-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CC[C@H](F)C1)CC(C)(C)C	1945193787	HGAKLXIYZQFYOB-AGIUHOORSA-N	242.378	4.546	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCC(C)(F)F)NCC	1947989466	YYAHKQWWQUGQGU-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@@H](C)CC(C)C)c(C)c1	1948323776	RQZIJBZXQPSHFI-ZFWWWQNUSA-N	233.399	4.786	0	10	BJAE	
CC(C)CCC[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	1948584971	HBRZSYCLQSMIDT-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1CC2(CC2)C1	1948687464	ZFGXNSOFUFNLFP-CQSZACIVSA-N	236.399	4.598	0	10	BJAE	
CC(=O)c1ccc(S[C@H]2CCC(C)(C)C2)cc1	1949495742	JOHPBVRYPMAUHR-AWEZNQCLSA-N	248.391	4.560	0	10	BJAE	
CCN[C@@H](CC)CC[C@@H]1CCC2(CCCC2)C1	1949552204	PROHOKBWFBJOCX-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC(CC[C@H](N)CC2CCCCC2)C1	1949920366	ZGVKXLAUNSRSSW-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC1(C(=O)c2ccc(C(C)C)cc2)CCC1	1951238084	GKGOBYMGTHCJIQ-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC=C[C@H](C)Cc1ccc(OCC)c(C(C)C)c1	1951308475	HODJJGFUEYBNDH-AWEZNQCLSA-N	246.394	4.963	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCC2(CCCC2)C1	1967700385	XLXCOJIUSWTLQD-JKSUJKDBSA-N	249.442	4.824	0	10	BJAE	
Cc1cc(F)cc(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	1968594642	GIFTUJZJUZFBSV-IMRBUKKESA-N	249.373	4.618	0	10	BJAE	
CCC[C@H](NC1CC(C2CCC2)C1)C1CCCC1	1970935507	XEOJXAHUJHMLCY-JCYILVPMSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@]1(C)CC=CCC1	1976659162	BHUJCPVGXJYHBD-HNNXBMFYSA-N	222.372	4.518	0	10	BJAE	
CCCCCC[C@@H](NC)C1(CCC)CCC1	1978537915	FHOWITBKCACOCU-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCCCC[C@@H]1N	1980335527	AYCCBCVNPBCSIZ-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCCCSC	1981567643	DYQGTKYGZYCIAJ-CYBMUJFWSA-N	244.444	4.551	0	10	BJAE	
CCCc1csc([C@H]2CCCCC23CC3)n1	1981841732	UXEHJOMUCRQERF-GFCCVEGCSA-N	235.396	4.533	0	10	BJAE	
CC[C@H](C)CC(=O)C1(C)CCC(C)(C)CC1	1983315009	VTYGOLHYDQAFOC-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)C1(C)CCCC1	1987620903	MMUWNMHERJFROM-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CC=C(CC)[C@@H](CC(C)(C)CC)NCCC	1992046629	KLKDALBNDRTASH-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](NCC)[C@H](C)C1CCC(C)(C)CC1	1996594516	NFIMTUFBLOTTKV-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)n1[C@H]1CCC[C@H](C(C)C)CC1	1997198228	VFAPMQCUWHRNHJ-HOTGVXAUSA-N	233.399	4.882	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)[C@@H]1CCCC(C)(C)C1	2000044348	IJECIWOFHGFDCH-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2CCC(C)(C)C(=O)C2)C1	2000115124	BOGUYXWLRYPPTR-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)CC2=CCCC2)s1	2000210176	JAXCUYWCRIGWKN-UHFFFAOYSA-N	248.391	4.729	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C2(C)CCCCCC2)C1	2000214252	YFMDHCJVUADWIU-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)CC(F)(F)CC	2000483069	JJCLKDFUXREMIQ-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@H]1CC12CCCC2	2001254585	KFZACZXDLCFKJW-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)CC(=O)C[C@H](C(F)F)C(C)(C)C	2002435886	RREXTUSORTXKOG-ZYHUDNBSSA-N	248.357	4.699	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)[C@@H]1CCCC(C)(C)C1	2002979896	UUZOBKHAVZRHSU-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@H]1CCCC(C)(C)C1	2002980600	YMZLLLXWZDJIEZ-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCCCC[C@@H]1O	2003098976	JARAGIDHMLITCT-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CCCC2(CC2)C1)NC	2003216577	DEYPNVBIJSYVAE-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)(C)C)C(C)(C)F	2003238551	WYQXKXPUJIPSJS-CHWSQXEVSA-N	245.426	4.565	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1CC(CCC)C1	2004231275	OHVCFJRACLYYHS-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](NC)C1(C)CCCCCCC1	2004922841	LDDUOBQNFYNONW-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CNC[C@]1(CCC=C(C)C)CCCCC1(C)C	2005580432	QFMVYBQCEYFLEE-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](C[C@]1(CO)CCCCC1(C)C)C(C)(C)C	2005584328	VVUHPDQDLBPSPQ-BBRMVZONSA-N	240.431	4.638	0	10	BJAE	
C[C@@H]1CC[C@H](CC2CCC(C)(C)CC2)CC1=O	2006943016	CPWDBEPIAPMKJG-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(C)(C(=O)CCCC(F)F)CC1	2007680964	CQHCCHBDNSQUBB-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC1(c2nc(C3CC3)cs2)CCC2(CC2)CC1	2007691067	BUJZRHDUGPJJKV-UHFFFAOYSA-N	247.407	4.632	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C(C)(C)CC	2007941263	ZSPUPOGMUSGRDW-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@]12CC[C@@H](Nc3ccc(Cl)cc3)[C@H]1C2	2009130405	JTZKDBFRSPHKIX-RBSFLKMASA-N	249.785	4.577	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1CC[C@H](C)C1	2009594020	DITRGGHWZDHHJL-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H]1CCC[C@H](C)CC1	2009598251	LZNKWCDVQXLGAK-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H]1CCC(C)(C)C1	2009612549	XEKCJQQOYSIWAA-IPKOWEFYSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@]1(CNC)CCC[C@@H](CC)C1	2009617664	VESFWJOHHDPELS-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C1=CC[C@@H](C)CC1	2010628167	ZEYXDLRICJCMTD-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@@H](O)C1=CC[C@H](C(C)(C)C)CC1	2010724709	CXLMBQNSMFSLBT-KBPBESRZSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(C)C(=O)c1sc2ccccc2c1C	2014304174	OWGLULDIFQBDME-UHFFFAOYSA-N	246.375	4.829	0	10	BJAE	
CC(C)=CCC[C@]1(CNC(C)C)CCC1(C)C	2014849357	MOVDVEWCSGPSCR-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(CC(=O)CC(C)(C)C1CC1)C(C)C	2015378233	UQPUEAFIVZAVSB-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H](C)CC(C)(C)[C@H]1CC[C@@H](C)CC1=O	2015380775	WDCOHHDLXSNQKG-MCIONIFRSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)C1(CC(C)C)CC1	2015760508	LHXOPLGVVRXDTI-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC1(C(C)C)CCC1	2017118026	BWKVHXNRWMMZMF-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](NC)C1(C(C)(C)C)CCC1	2017130446	CLODGKHZMDMFJZ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC1(C)CCC(N(C)CC(F)=C(C)C)CC1	2017465886	XPBSTCRMINVMBB-UHFFFAOYSA-N	241.394	4.541	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H](C)C2CC2)CC1	2017654720	GLDMIHJFYRDTTR-YDHLFZDLSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C[C@@H](NC)C(CC)CC)CC1	2017730134	DGLMBUCSIPOMEN-ZBCRRDGASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C)CC(C)(C)C[C@H]1CC[C@H](C)CC1	2017735183	DYRWMBVOGGKBTP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](Cn2cc(C)c(C)c2C)CC1	2017777803	NBZUBPADBFGHAF-WKILWMFISA-N	233.399	4.630	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@H](C)C1CCCCC1	2017792423	AFNIUNSROXIYGD-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCCN(CCCC)[C@H]1CCCC[C@@H]1CC	2019200644	PLGDICHTHCNNGI-HOTGVXAUSA-N	239.447	4.857	0	10	BJAE	
CC(C)CCCN(C)C1CC(CC(C)(C)C)C1	2019298821	CQBQPHQOGGEWCX-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCCCN1CC[C@@H](CC(C)C)C1	2019344507	NZYYYDARHUTEJS-INIZCTEOSA-N	239.447	4.571	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCC(C)(C)[C@@H]1NC	2020363046	FWTXWTZNRBFLDH-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN(C1CCCCCC1)[C@H]1CCC[C@H]1C	2020507441	GAVIBZCMDOPWGV-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H](CCC)CC(C)C	2020966034	NEFWPRUGPHHTJP-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
O=C(c1cccs1)[C@H]1C[C@@H]1C1CCCCCC1	2022416859	HLIQDMOAPSHWNX-OLZOCXBDSA-N	248.391	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)C1(C)CCCCCC1	2022484534	FVEVVFPTMFOENM-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@H]1C[C@@H]1C(C)(C)C	2022565246	KEYYOMRJWSQTGL-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H]1CC(C)(C)C[C@@H]1CCCC(C)(C)C	2023609217	FDXDAMAWIZZYSR-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CNCC)C[C@@H]1CCCC(C)(C)C1	2024094665	LXEWWOSONLZCBL-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CCCC(C)(C)C1)NC	2024102649	UYVGZZNVWJIAEV-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CC1(CC)CC1)NC	2026164253	RGXDIYIAADQCPW-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1[C@](C)(N)CC1(C)CCCCC1	2027305868	FEJLINBSNPBUGZ-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CCC1CCC(NC2CC(C3CCCC3)C2)CC1	2033769342	YIOWEFOMOKEISU-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H]1C[C@@H]2CCCC[C@@H]2C1	2035403539	KHUDCCDACZSXRO-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)C[C@@H]2C=CCC2)CC1	2035588772	FNEPLBPPFBGFDB-PRLABOORSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC)C[C@@H]1C[C@@H]1C=CCC1	2035601249	OSUMOETWBKLNIL-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1	2036659562	CSVDMSBIOPFSMF-DZUCGIPZSA-N	249.442	4.514	0	10	BJAE	
CCCc1cccc([C@@H](N)C2(CCC)CCC2)c1	2037085463	BKTBTUVIJWNGRZ-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CC(C)CCC[C@H](N)c1cccc(C2CCC2)c1	2037086842	FVCKWIXMBCSSON-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H]1CC[C@H](C)C1	2040143395	VESQPKGXOIATDL-KBPBESRZSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H](C)c2ccoc2)CC1	2041374749	CWSSKGMYGMLFFK-KFWWJZLASA-N	249.398	4.537	0	10	BJAE	
CN(C[C@H]1CCC=CCCC1)C1CCCCCC1	2045309562	HWTGSKYYLQWHNB-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@]1(C)CC=CCC1)C1CCCCC1	2047680226	AKKWMRZALPNTPD-USXIJHARSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C[C@H]2CC23CCCC3)C1	2049564001	MGNWWHHBRJMVAR-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(C)c1NC1CCC(C)(F)CC1	2053902672	UHIHJPZUBHHKQT-UHFFFAOYSA-N	249.373	4.640	0	10	BJAE	
CCCNCC1([C@H]2CCC[C@H]2C)CCC=CCC1	2055274564	HDEGBAOONIPRSG-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](N[C@@H]1C=C(C)CCC1)c1ccc(C)cc1	2055552903	UFDNERJIRMHLMB-IRXDYDNUSA-N	243.394	4.535	0	10	BJAE	
CN[C@H](C=C1CCCC1)[C@@]1(C)CC[C@@H](C)C1(C)C	2056885235	ZPEVBQKSYKQLAW-FRFSOERESA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@]1(CNC2CC2)CCCC[C@H]1C	2059251867	CJTDQMHRZHAIJW-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC[C@]12CCC[C@@H]1C2	2061593739	VQNNZBBSKWXUIT-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)CCC[C@]23CCC[C@@H]2C3)cc1	2061596149	KMMVPBATQDNICR-WBVHZDCISA-N	242.362	4.538	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)[C@H]1CCCCC12CCC2	2062647889	WTMDNUYBWWSHMV-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
NC1(C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCCCC1	2063497558	RKZFGCZENOUKSN-PHZGNYQRSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CC23CCC(CC2)C3)C1	2065338708	HUIBGRJJQUJEAB-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)c1cc(C)ccc1C	2068823808	UIMQTRIGBLJABC-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)C[C@]23CCC[C@H]2C3)CC1	2070964455	VVDACOMDQXOJAV-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@]23CCCC[C@@H]2C3)CCC1	2071916442	ZGISGNHFROGFNI-CXAGYDPISA-N	248.410	4.742	0	10	BJAE	
CCN(CC1(C(C)C)CCC1)c1cccc(C)c1	2071917290	JKEKYTDVNORHKL-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)C2(C(C)(C)C)CCC2)CC1	2071939265	YEACIPZNPPNMSB-DZGCQCFKSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@]23CCCC[C@H]2C3)CC1	2074024786	KFHNJGWSXJCNRP-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@]12CCCC[C@H]1C2	2074026492	UPLDTACZLVEWKP-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
C(=C1CCNC2(CCCCC2)C1)C1CCCCC1	2074131424	BAUOPTIPBHIGGA-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H]1C[C@H]1C1CCCCC1	2079434914	KFSZDZKXVQSZSH-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@H](N)[C@H]2C[C@H]2C2CCCCCC2)CC1	2079516991	YGLOLBYFRAKMCM-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@@H]1C[C@@H]1C1CCCCC1	2079702589	RCJAYMPFDBKOOG-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCC2)CCC[C@@H](CC)C1	2081682298	RSPLOLNNIOPDCF-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2C[C@@H]2C2CCCCC2)C1=O	2082843896	QKEXFMBVJBSZEK-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCCCCC(=O)c1cc(F)c(C)cc1Cl	2210111813	APHXZKHFPFVBCA-UHFFFAOYSA-N	242.721	4.551	0	10	BJAE	
COc1ccc(CCC=C(C)C)cc1C(C)C	2213146634	NGQWCWHGMSWOFF-UHFFFAOYSA-N	232.367	4.717	0	10	BJAE	
CN[C@H]1CCCC[C@@H]1CCCCCCC1CC1	2213577068	XQOOECBCXYAQFC-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](N)CCCCCCC1CC1	2213581855	BCTFYLRVHNPUJU-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC(=O)c1ccc(C)c(-c2sc(C)cc2C)c1	2213605697	HXFSQNCYVFGVGN-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
C(=Cc1ccccc1)Cc1ccc(C2CC2)s1	2213823856	YOTBDLJWZNKKHB-UHFFFAOYSA-N	240.371	4.881	0	10	BJAE	
O[C@@H](CCCCC1CC1)C1CCCCCCC1	2214562016	CNPRMTFPFAAVET-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)C1CCC(C)(C)CC1	2215332016	MOSPXJIEECYPNG-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@@H]2C[C@H]2CC)C1	2215332722	OCTMMLLXROYSHI-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C1CC(CC)C1)C(C)(C)CCC	2216285290	KCZMCRMCQOYHNJ-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC1CCC1)C1CCCCC1	2217151968	AGPQKDZEKCGPPV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C(CCN[C@H]1C[C@H]2CCC[C@H](C2)C1)CCC1CC1	2218340481	PPZYVUAQMNCNCK-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@](N)(CC)c1ccc(CC(C)C)cc1	2218640313	NCTYUVYFFNLIKA-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@H]1CCC12CCC2	2220043563	APPUEYFFGGWTEQ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C1(C)CC2(CCC2)C1	2221002988	LSFVXKIOBNXMBL-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@@H](N)CC1(C)CC2(CCC2)C1	2221077768	ZVNHQMALBMVNDN-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@]2(C)CC=C(C)CC2)C1	2221642922	KPOWMCLLYGEDHH-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)C1CCCCCCC1	2222004853	FKJCJRHELYTEPU-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CC(C)(C)C(=C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)CN	2222947576	BCNBSKRVHUIAAH-ILXRZTDVSA-N	249.442	4.524	0	10	BJAE	
CC(C)=C[C@](C)(N)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222955392	SLJVYZNUDDKEAF-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CC(=CCCCCCCC1CC1)C[C@@H]1CCCN1	2223130068	IZORCWLHNNFCIG-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)c1ccc2occc2c1	2224145380	GXKXOTRKBIPPHR-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1CCC1(C)C	2243191828	BOEYVCQFKDGKMR-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCCC[C@@H]2C[C@H]2C)C1	2247124244	ZQUNFQLSEVTAHB-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CN)CC[C@@H]1CCCC12CC2	2247586168	LYNGAYMUPQMHLL-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCCC1(O)CCCCC1	2248819448	KEXHLYQVBKTGGW-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCSc1ccccc1NC1CCC=CCC1	2249287933	CETYLPFPXNTANI-UHFFFAOYSA-N	247.407	4.709	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)C1CCCCCC1	2250353320	TXOJHSWMQBKZFJ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(F)c(CC)c1	2250381425	OBEZTUQOWCWGJO-LBPRGKRZSA-N	237.362	4.626	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](F)C(C)(C)CN	2250481317	LKPMVKMAJXHQMI-ZIAGYGMSSA-N	245.426	4.552	0	10	BJAE	
CCC(C)(C)CNCC[C@H](C)CCCC(C)C	2250489601	ADVBIFQHIWXXJG-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
C=CC=CCCNCC[C@@H](C)CCCC(C)C	2250524197	NUTZFUASFJTXBO-INIZCTEOSA-N	237.431	4.561	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CC[C@H]2CCCCC23CC3)C1	2253799927	FVYLAQLLSOOTCL-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@H]1CCCCC12CC2	2253818440	RXFXCCYSOSETJQ-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C(=O)CC[C@H]1CCCCC12CC2)C1CCC1	2253872939	JWNYRXBNYNNTGW-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)C2CC3(CCC3)C2)C1	2253931225	PTRKOQJVOHBUJY-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(CN)CCCCC12CC2	2254585222	MUXWMHJWSOOSAD-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@H]2C[C@@H]2C)cc1C	2254612138	URMLHFKSKQSLCM-GJZGRUSLSA-N	244.378	4.703	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@H]1CCC12CCC2	2255011939	XTDCYSRLFXQYOO-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC(C)NC[C@@]1(CC2=CCCCC2)CCC[C@@H]1C	2255143515	YPZBPFBFBCMMLQ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CN(C)CC1=CCCCC1)C1CCCCC1	2255145698	JAWOLEMAXBLZIB-OAHLLOKOSA-N	249.442	4.635	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)C[C@H]1CCCC12CC2	2255223052	FTBYCQDOWKEBDF-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCCC12CC2)CC1(C)CC1	2255245769	MLABGFFOUNBYEV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCCC12CC2)CC1CCC1	2255290482	GKSKBTZYQDMNFE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCCCC12CC2	2256144007	IZYHZZCCFGVUHZ-CQSZACIVSA-N	247.357	4.523	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H](C)CC2)cc(C)c1C	2258233830	AAUHIRZHUAALGN-MLGOLLRUSA-N	245.410	4.993	0	10	BJAE	
CCC[C@@H](CC)C(=O)Cc1c(C)cc(C)cc1C	2259456741	ZJKWOWHSXQZHOM-OAHLLOKOSA-N	246.394	4.550	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1C[C@]12CCCC[C@H]1CC2	2260650545	FDFHNDGHPDLJCR-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
F[C@H]1C[C@H](CNc2cccc(C3CCCC3)c2)C1	2260660281	DHPANLKOCUKSLE-NNUKFRKNSA-N	247.357	4.504	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@@]12CCC[C@@H]1CC2	2260678875	NTBGVXUGMMUUPT-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC=C([C@@H](N)C2CC(CC(C)(C)C)C2)CC1	2261186145	QSFPSFBQQVCOPO-FKFRUQKQSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H](CCC2(C)CCCCC2)N1	2300188002	YMHKMAUTCDHXDB-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC)CCC[C@@H](C)C1	2300675710	HLMAWXPQIXXNJN-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@]1(O)CC[C@H](C)[C@@H]1C(C)C	2300684567	VZHROAFWIGGWOW-CWRNSKLLSA-N	240.431	4.636	0	10	BJAE	
CCCCc1ccc(NCC=C(C)CC)cc1	2300862619	GMWDNQUQINYISR-UHFFFAOYSA-N	231.383	4.797	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CCC[C@@H](C)C1	2300873578	ASEYHLPPLCPHKQ-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@@H](CC[C@@H](C)CCCC)NCCC	2300898540	FRMSZVLPFBEIEZ-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CC=CC[C@H](NCC)[C@H]1CCC[C@H](CC)CC1	2300902530	VLWMWIJICZLUKJ-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(O)CC1CCCCCC1	2301136349	WFTWCUGKESCNDI-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@](CC)(C(C)C)[C@@H](C)[C@@H](C)C(C)C	2301957119	YHIZKWKYDIKTST-HRCADAONSA-N	241.463	4.577	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)[C@H](C)C(C)C)c1	2301962436	SYLHQBKQGXFOKA-ZIAGYGMSSA-N	233.399	4.903	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)[C@H]1CCCCC1(C)C	2301985039	XFFRBWRWCKZZBC-KKUMJFAQSA-N	239.447	4.568	0	10	BJAE	
C[C@H]1C[C@@H]1c1cc2cc(C(C)(C)C)ccc2[nH]1	2302549810	XARBUEQVSPWCBO-GWCFXTLKSA-N	227.351	4.589	0	10	BJAE	
CCCC[C@](C)(CNC)C[C@H]1CCC(C)(C)C1	2302720092	KLAZZGCJWDAFBK-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@]1(CN[C@@H](C)CC)CCC(C)=C(C)C1	2303468237	LZQXELJPILZSLF-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)CCCC1CC1	2303508219	LQTZFHZKNRNWNB-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303512185	SSLRIJKUSQBACX-ZQDZILKHSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2ccccc2C)CC1	2303591808	DRMKWALFWQZBAL-HNNXBMFYSA-N	229.367	4.543	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2CCCCC2)CC1	2303601971	IKIJZHKVBVEJCL-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC[C@@H]1C[C@H]1CC	2303609073	CHLRTNPRIBUJQM-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCc1cc(=S)c2ccccc2[nH]1	2304029421	GUNYQSAQARQIQQ-UHFFFAOYSA-N	245.391	4.876	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)CC[C@@H]1CCC(C)(C)C1	2304408048	LAJVZHFACFNYAM-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CC[C@@H]2CCC(C)(C)C2)C1	2304436148	REGMNUKFIRQCDO-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)C12CCC(CC1)C2	2307817417	OZIUVQOSKOCWBI-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC(F)F)C[C@@H](CC)CCC	2307910815	ZYTPFGYIMDJJRL-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]32)cc1	2308105990	KBRSEHACAGGWLO-NQZOLGFYSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2308401402	VVVHVZKHZHXVMV-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CC1CCCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309182566	SHLJOILEJVZJDG-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC[C@@]12CCC[C@@H]1C2)C1CCCCCC1	2310374771	DXPNTHYIKZZNJQ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)CC[C@@]23CCC[C@@H]2C3)C1	2310379834	IOVICUVPMUWQLQ-JZAWBGDQSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1C)C1=CC[C@H](C)CC1	2311275726	GVKDXPRKHZRDRE-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@]2([C@@H](N)CCCCCCCC3CC3)C[C@H]12	2312598932	QHMCQNGRVSNNAH-ORQFMDKSSA-N	249.442	4.501	0	10	BJAE	
CC=CC[C@@H]1C[C@H](CCC)CC[C@@H]1CNC1CC1	2316568546	RBEPHFHGVOVFOI-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1C[C@H]2CCC[C@H]1CC2	2316887514	YQIOMWZHLSJCDT-LUKYLMHMSA-N	249.442	4.680	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C[C@H]1CC12CCCC2	2317964326	GLNWUJQTARRXHW-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](C)c1ccc(C)c(CC(C)(C)C)c1	2318580993	RJOIRFFWUCYHPO-CQSZACIVSA-N	247.426	4.644	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@@H](O)c2ccccc2)C1	2319310198	AXOUACAHKCOVPW-GOEBONIOSA-N	246.394	4.717	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@@]12CCCC[C@H]1C2	2320219054	GFXQPVTXRKIWGW-CFAJVAMVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2CCC(C)=C(C)C2)C1	2320339748	GXHABJFWGNGRGJ-IKGGRYGDSA-N	249.442	4.811	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCC[C@H](CC)C1	70565982	IUDFFHHFMRTTOG-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@H](O)CCC	70774853	FYJYVGVLLYDFEK-ZIAGYGMSSA-N	214.393	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccccc1SC	71159516	JFCWWXSKKVLZRC-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
C[C@@H]1CC(Nc2ccc(Cl)cc2)C[C@@H](C)C1	82829401	SVDALCNVTOJZDL-QWRGUYRKSA-N	237.774	4.577	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@H](C)CC1	86883283	XYEPGNRQSJOROB-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(C2CCCCC2)CC1	86938521	BERUAXCHMAMJQS-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](NCCC)C1CCC(CC)CC1	87938111	HBHXSOUSIMKTEL-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C(C)C)c2oc([C@@H](N)C(C)C)cc12	88075149	JZZUXXBDVNQULB-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CC(C)(C)CC(C)(C)N[C@H]1CCCCC1(C)C	94277259	HVIPTUASXXHRNL-ZDUSSCGKSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)Oc1ccc(C(C)(C)C)cc1	94678417	FPFSVKJLXAHYTK-UHFFFAOYSA-N	220.356	4.552	0	10	BJAE	
Cc1cc([C@@H](N)C2(CC(C)C)CCCC2)c(C)o1	94900936	XEXZIQQHTSNWPP-OAHLLOKOSA-N	249.398	4.503	0	10	BJAE	
CC/C=C\C[C@H](CCC)c1ccsc1	107527663	QARRQGDTQVFPGL-FJOGCWAESA-N	208.370	4.988	0	10	BJAE	
CC/C=C\C[C@H](C)c1ccc(SC)cc1	107605786	XKTYQNSRJSVJSA-FJOGCWAESA-N	220.381	4.868	0	10	BJAE	
CCC[C@@H]1CC[C@H](NCC)[C@H](C[C@@H](C)CC)C1	109664539	SLCYMTGEAAKGMB-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)c1ccccc1C	109725519	CFABUNUERLDWPO-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(CC)CNC1CC1	110211012	IRXBOWIMCSQTBZ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)C(CC)CC	126135430	AWQUPEVMOLFFJO-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)NC1CCC2(CCCC2)CC1	129371960	ABLHFBGRWCMBKK-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
Cc1cc(Cl)c(NCC(C)(C)C)cc1Cl	132029242	RBAHRSLTDQNTGD-UHFFFAOYSA-N	246.181	4.760	0	10	BJAE	
FC(F)(F)c1c(Cl)ccc2ccccc12	139339360	BKHVQNKQYPLQQU-UHFFFAOYSA-N	230.616	4.512	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H]1CC[C@@H](CC)C1	148420886	OKXUDYIPTBJASE-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NOC(C)(C)C)c1ccccc1	148743528	QJFOPDIUKSTOCX-HNNXBMFYSA-N	249.398	4.628	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](C2CCCCCC2)C1	149438533	JMSFFTXNONVDFT-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CN[C@H]1CCCC(C)(C)CC1)C(C)(C)C	162622530	UIWIEUDIZPZBTO-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc([C@H](C[C@@H](C)CC)NCC)cc1	167268705	ANSFULQYTUZUBO-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C1CCC(C)CC1	167791066	PEKCOIJGXWFLFT-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
C=C=C(C)[Si](C(C)C)(C(C)C)C(C)C	196266603	ZLYUYKJQRQJIBU-UHFFFAOYSA-N	210.437	4.936	0	10	BJAE	
FC(F)c1ccc(C(F)F)c2ccccc12	198786455	HUHXDYFWEXCZEQ-UHFFFAOYSA-N	228.188	4.715	0	10	BJAE	
N[C@H](C1=CCCCCC1)C1CCCCCCC1	203576698	BQWWLPXNVRECLA-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)C1CCCCCC1	229147211	VLUSRJXCVAYGJB-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1	229188769	JJXKUINNJFTMQS-QLFBSQMISA-N	244.378	4.558	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2C[C@H]3CC[C@H]2C3)CC1	251205243	WAMHSZDAILXUFM-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@H](C)CNCCC	251337658	MAAOUPPFQHSSQA-OAGGEKHMSA-N	241.463	4.865	0	10	BJAE	
CC(C)(C)CC(C)(C)c1ccc(C(C)(C)N)cc1	258315769	HJIBAKXMCARURH-UHFFFAOYSA-N	247.426	4.594	0	10	BJAE	
C[C@@H]1[C@@H](N[C@@H]2CCC23CCCCC3)CCC[C@H]1C	299953081	KRYHZSBAELGHIQ-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CCCC(=O)c1ccccc1Cl	300804452	FAFLSXWHLUJDAE-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CC1CCC(C(=O)CCCC(C)(C)C)CC1	300856410	LQMVNRVJILONKY-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H](C)C[C@H]2C)cc1C	305951573	CYLKITFCZBXGHD-SUYBPPKGSA-N	245.410	4.794	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C1(CCC)CC1	310284533	LTPMJHMIIJYFML-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](NC)C2(CC)CC2)cc1	310617189	FKSPGNUNJWTHMD-CZUORRHYSA-N	245.410	4.651	0	10	BJAE	
CCC1(C[C@H](NC)c2ccc(C)cc2C)CCC1	310880203	WIUMNDTVOVKNBB-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)C)CC[C@@H](CC)C1	318457950	QNARPBFMIFUVCX-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC[C@@](O)(C[C@@H](C)C1CCCCC1)C1CCC1	322293350	RQDFZEAZFTXRON-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)NC[C@H]1C[C@]12CCCCC21CCCC1	381036372	UPGAVVKIBKXIDV-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(NC[C@@H](C)C(C)C)cc1	383826811	IEGYVADJTZJLQK-CQSZACIVSA-N	233.399	4.733	0	10	BJAE	
CC1CCC(C[C@@]2(O)CCC[C@@H](C)CC2)CC1	383938543	UQVSKTKQUAUCHI-PRLABOORSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)CC(C)(C)C	384553947	GQSWCJBQVHLUOO-KGLIPLIRSA-N	227.436	4.760	0	10	BJAE	
Clc1sccc1NCCC1CCCCC1	387237572	OEESYKSJRRJKCC-UHFFFAOYSA-N	243.803	4.784	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@@H]1C[C@H]1CC	387677073	OTGIEVQXXOECAN-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1NCC1(C)CCCCC1	394664926	MTLBFOYQJJZXIQ-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCCC[C@H](N[C@@H]1C[C@H](C)[C@H]1C)c1ccccc1	395075469	JPHQHQASQZWAAL-HDEZJCGLSA-N	245.410	4.552	0	10	BJAE	
CCOc1c(Cl)sc2ccc(CC)cc12	396195429	WEGJGGDJJSXUJF-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1c(Cl)ccc2sc(CC)cc12	396197873	ZDOKXGMHFMFFNJ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1C)[C@@H](C)C(C)(C)C	399154545	HBGOYJWDLFTCNC-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNC1(C)CCCCC1	401385144	IMAYMSJHHIUPKK-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CCC(C)(C)C1CC1	405831415	SXFNFRNNVSKOEP-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1C[C@@H]1c1ccccc1	688963614	IOSKOHVJNKQVII-CABCVRRESA-N	244.378	4.576	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1CCC[C@H]2C[C@@H]21	690161468	OSEOBILGQYYJJQ-BHYGNILZSA-N	241.378	4.555	0	10	BJAE	
CCCC[C@@](N)(CC)CCCCc1ccccc1	690561772	FJVVLXXNRNORHZ-KRWDZBQOSA-N	247.426	4.697	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1Nc1ccccc1Cl	691069181	ORMBBFLVCVDELO-AAEUAGOBSA-N	237.774	4.721	0	10	BJAE	
CC(C)=CCC[C@@]1(CNC2CC2)CCCC[C@H]1C	698055315	KIEJSYNNKWSILS-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1C[C@H]1C(C)(C)C	699850062	JKIUIUWHQPNEIT-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(NC[C@@H]2CCCC23CC3)CC1	706287960	FPOXSJBHLJUHCZ-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)[C@]12CCCC[C@H]1C2	709076081	HRLILNGAQDDPJL-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CCC[C@H](N)C(C)(C)C)CC(C)(C)C	709190075	RLTMFJBJYXPCQB-STQMWFEESA-N	227.436	4.602	0	10	BJAE	
CC[C@H](CC(=O)c1ccc(C)s1)C(C)(C)C	711084421	ULVXCQIUNWMRLZ-LLVKDONJSA-N	238.396	4.702	0	10	BJAE	
Cc1cc(C(=O)C[C@@H](C)C(C)(C)C)sc1C	711202903	VQSSSGFRMBIGHB-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CN[C@@H](C)CC2CCCC2)C1	712532662	DJBQVWJEKWESRK-JLJPHGGASA-N	249.442	4.537	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](CC(C)(C)C(C)C)NC	713144953	VNSXYZPKSAZZCM-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@H](CC)c1ccccc1	713158420	FXXFJJNXTHTNAF-HZPDHXFCSA-N	247.426	4.595	0	10	BJAE	
CCN[C@@H](CC(C)(C)C(C)C)C1CCCCC1	713263434	AHJQBGMDYWMPQT-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCNc1cc(C)c(Cl)c(C)c1	713708470	FOKIZCIOUDEELP-AATRIKPKSA-N	235.758	4.501	0	10	BJAE	
C/C=C/[C@H](C)Cc1cccc(Cl)c1Cl	714552619	ZAHGBFKSCHFRRQ-SGRBOOSSSA-N	229.150	4.748	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)CC1CCC1	718651431	JCSDMQURIWOYSD-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCC1(NC[C@H]2CCC[C@H](CC)C2)CC1	1461816025	YRRQTHRKLIRRJV-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(SCc2ccc(C)cc2C)c1	1643667977	CUBXINICKZPAIV-UHFFFAOYSA-N	242.387	4.904	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1cc(C)cc(C)c1	1661019566	ZWLCGUSWVSVUFC-RDJZCZTQSA-N	243.394	4.708	0	10	BJAE	
C[C@@H]1[C@@H](N[C@H]2CCCCC23CCCCC3)C[C@H]1C	1875421056	XSNIUWAOQFMKPS-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)C1(Cl)CCCC1	1905373007	BMFLBHWZZCRYSJ-QWHCGFSZSA-N	246.822	4.505	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CC[C@@H]1C[C@H]1C	1910145388	PCSQZVSPHOSOLV-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCC1(CN[C@@H]2CCC3(CCCC3)C2)CCC1	1916402108	LWZOPDIEOONNCO-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC(C)[C@](O)(c1ccccc1)C1CCCCCC1	1919934068	JPZBJIHJAYGBJF-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CCCC1CC([C@@H](CCC=C(C)C)NCC)C1	1921302200	NAYAFLUYTUGSQM-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCc1cccc2c3c([nH]c12)C[C@H]1CCC[C@H]3C1	1923459825	XESKOVZQZOILEK-AAEUAGOBSA-N	239.362	4.560	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)[C@@H](C)C1CCCCC1	1924148580	MNJXUOYIUKCOJB-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@@H]1C=CCCCC1	1925736572	JQEODOIIEDFHCF-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1csc(Cl)c1	1933600677	SJEDFQGGZZVDLY-SKDRFNHKSA-N	246.803	4.651	0	10	BJAE	
CCC(CC)CC(=O)[C@H](CC(C)C)C(C)C	1936206943	MNFGKZOEPKPLPN-CQSZACIVSA-N	226.404	4.700	0	10	BJAE	
CCc1cscc1[C@@H](O)CCCC(C)(C)C	1938803979	MGOXDPRKKMNUCC-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)C1(C)CCC1	1940873519	RDAVNPDBZLVZQH-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CNCC(C)(C)CCCCCC1CC1	1941581365	KFHSQNAPLOPYFC-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CCCC1CCC1	1941689385	GIXZWHMXBHDQLK-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1C[C@@H](C)C[C@H](C)C1	1943044534	WBHGQNTTXFCPBA-YDHLFZDLSA-N	240.431	4.636	0	10	BJAE	
CCC(F)(F)CCC1(CN)CCCCCCC1	1948061747	WIQJARUKDGDULC-UHFFFAOYSA-N	247.373	4.501	0	10	BJAE	
CCCCC(=O)CCc1ccc(C(C)C)cc1	1948430238	ABYHUBTXFFUBCT-UHFFFAOYSA-N	232.367	4.502	0	10	BJAE	
CCCC[C@@](O)(CC)[C@H]1CCC2(CCCC2)C1	1949453052	NKDMLVARDRERMA-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H]1C[C@H](C(C)(C)CC)CCC1(C)C	1949663555	XNDNDTYYHNAOHY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1967861430	XYEMNTJADQLLKL-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1C[C@@H]2C[C@@H]2C1	1968602337	JFDLCLLDCYYZCQ-RBVVOMGSSA-N	243.394	4.576	0	10	BJAE	
c1ccc(C2CC2)c(NC[C@H]2CCC3(CC3)C2)c1	1969417135	UMLFAHFWJHGACN-ZDUSSCGKSA-N	241.378	4.556	0	10	BJAE	
CC1(C)CC(N[C@H]2CCCC3(CCCCC3)C2)C1	1972020040	FSBJRUUHFDTFKF-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CC1(C)C[C@H]1CCN[C@H]1CCCC12CCCCC2	1973005019	ZPPUIXWNSJKDML-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)CN[C@@]1(C)CCCCC1(C)C	1973518215	DMADVYXOYXYSOC-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)NCC(C)(C)CCC	1976008651	PCFHOJSKPPEBDI-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1csc(C(F)F)c1	1978577353	KVNWTWPPOHHWDZ-SECBINFHSA-N	247.354	4.512	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@@H](C)CC(C)(C)C	1989859093	UUYQJOFHGGOGQF-SWLSCSKDSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NCC)C(C)(C)C	1995261982	JNLDMQBRQSGBIA-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCCC(C)C	1995262492	NSBCCJQCRGORDD-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CC1CCC([C@@](C)(O)CCCC2CCC2)CC1	1996546106	GURBIHVXVIPPRJ-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](NC)[C@H](CC)C1CCC(C)(C)CC1	1996593779	HXLBXCQIDLHXJV-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1996603162	PHHQPRACDNNPRO-WDNDVIMCSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@]1(C)CC=CCC1	1997552441	RDFGXSHPXLOYQI-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC1(C(=O)CC2CC(C(C)(C)C)C2)CCC1	1998238990	GWBCJWSINGBKLX-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCCN[C@@H](C)C1CC(C)(C)C1	1998638796	MCTGYVFCLOKQRI-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCNCC[C@@H](C)C[C@@H]1CCC=CCCC1	1999996142	MCQPLOUVGVGOHM-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](C)CC(C)(C)[C@H]1CCCC(C)(C)C1	2000161041	BZGLTYHLSAAQDC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CC1CCCCC1	2000294333	RLELCBGFBYSTOP-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@](C)(CCCC1CC1)CNC(C)C	2000508533	JUJIJNCBEWRZSN-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2000833148	CABSHUSBAKMUHE-IMRBUKKESA-N	249.785	4.639	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1CC12CCCCC2	2001259493	OFKWJAGNGGWDMN-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C(CC)(CC)CC	2002510752	CIRWWOQXQJNTKL-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCCC[C@H]1O)C(C)(C)C	2003111386	LDOJCVIBIMZDGL-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CC1=C(C)[C@@](O)(C[C@H](C)CC(C)(C)C)CCC1	2006973083	TYYKXZJPVIEMIT-WBMJQRKESA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@@H](N)CCCC(C)(C)C	2007623597	VJBQFNBEILMKKE-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CCC1CC(C[C@@H](N)C2(C)CCCCCC2)C1	2007755495	YURVBQHOAKVUIM-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCSc1ccccc1NCC1CC(CC)C1	2007792239	BEFCAHXZHVWUSJ-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C1(C2CC2)CCCC1	2008470496	KMRCJBFKZPODTB-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](O)[C@H](CCCCCC2CC2)CC1	2009408670	VVFCKCKBGNNLEM-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CCC1(C)CC1)NCC	2009553297	YSDVMVWJMLXSHR-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H]1CCC(C)(C)CC[C@@H]1NC	2009630797	XXQGAWVEQAROAK-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC=C(CC(=O)c2ccc(Cl)cc2)CC1	2010599615	FFSSUMJIOCTXIA-LLVKDONJSA-N	248.753	4.659	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C1=CC[C@H](CC)CC1	2010711936	FHWZRTXJSCGFHO-OFQRWUPVSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](Nc1cccc(Cl)c1)c1occc1C	2012066237	XQQILAWLOMBINZ-CYBMUJFWSA-N	249.741	4.805	0	10	BJAE	
CC1([C@@](C)(O)C2=CCCCCCC2)CCCC1	2014330218	XWZBNLYEIWJNRA-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(CO)CCCC(C)(C)CC1	2015284909	RPUXXOQRCMBVSE-GDBMZVCRSA-N	240.431	4.638	0	10	BJAE	
CC[C@H]1CC[C@](O)(CCC(C(C)C)C(C)C)C1	2015334346	GDRHJBOBHXONSL-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)C[C@H]1CCCCCCCCC1=O	2015387783	SEAIATPKOLQEMT-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CCCC1(CC(=O)CC2(C)CCCC2)CCC1	2015597517	GMMJYFPOILPKLW-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CC[C@H](C)CC2)CCC1	2015598705	YLRIUZRQSFHSBG-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@H](N)CC[C@H]2CC2(C)C)CCC1	2015640173	PFRAALPYBXEHMJ-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1CC1(CCC)CCC1	2015646083	WOXYAABOERPDNU-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC(F)=C(C)C)CC1	2017462483	AULDFEAJXNSDOC-ZIAGYGMSSA-N	241.394	4.588	0	10	BJAE	
CCC1(C[C@]2(N)CCC[C@@H](CC(C)C)C2)CC1	2018982484	MNNRCCIMMMPRRS-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@](C)(CCC)CNC(C)C)CC1	2018983076	SMFMLNOQPKICDW-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)C1(C)CCC1	2019000278	POPOLOCXDOXLEZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1ccccc1N(C)CCCCCC(C)C	2019340383	NCQYEJLALIDYAZ-UHFFFAOYSA-N	233.399	4.648	0	10	BJAE	
CC(C)[C@H](C)N(C)[C@H](C)[C@@H]1CCCC(C)(C)C1	2019383961	FXSUYMCPSDXYSC-RRFJBIMHSA-N	239.447	4.568	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCC[C@@H](O)C2)C1	2024115826	FXMACYLOQRZKCK-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@@H]1CCCC(C)(C)C1	2024116689	IMGKBMJHSZQEBF-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
C=CC=CCC[C@H](CC[C@H]1CC1(C)C)NCCC	2027813334	VLMMDUCAHHOHEG-JKSUJKDBSA-N	249.442	4.703	0	10	BJAE	
CCCCC[C@@H]1Nc2cc(C(C)(C)C)ccc2O1	2027860293	MHAQZUADZRDNQR-OAHLLOKOSA-N	247.382	4.695	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)C1(C2CC2)CC1	2028101761	RSRTYHLLFBLYMJ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](NC)c1ccccc1C(C)C	2028264348	OYIVHFMYUATFOV-WMLDXEAASA-N	247.426	4.753	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@H]2C[C@H]2CC1	2028968292	QSMCCAFCEUTMGF-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1)[C@H](C)CCC(C)C	2029835422	GDIMFIGFWMATSB-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CC1(C)CC[C@@H](Nc2ccccc2C2(C)CC2)C1	2032242293	FVWJBZUWZJCJCU-CYBMUJFWSA-N	243.394	4.729	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@H]2CCC[C@H]2C)c2ccccc2N1	2032516254	XYJBIALGXWHPEI-APIJFGDWSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC[C@H]1C1CC1	2032700274	DLOYHILKGVXLTH-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC1CC(C2(CNC3CC3)CCCCCCC2)C1	2036179910	LDXAQNMQNIUTQS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)[C@H](C)CC(C)C)cc1	2036386557	YLPTVMBENPRXBS-PMPSAXMXSA-N	247.426	4.716	0	10	BJAE	
C[C@@H]1C[C@H]1c1ccc([C@@H](N)CCCC(C)(C)C)o1	2037106128	ZEHVNMCVMBZWPQ-UPJWGTAASA-N	249.398	4.619	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@H]1CCCC[C@@H]1C	2037167864	AZMZJDHGFDVIOF-NXNVCVFFSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2037694685	ODKUHGGLWAJFJM-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(c1nc2c([nH]1)[C@H](C)CC[C@H]2C)C(C)C	2038007093	LERKCUBMOHDPMI-VXGBXAGGSA-N	248.414	4.806	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@](C)(O)c1ccccc1	2038167873	STLUXCGOAQGYKM-NVXWUHKLSA-N	248.410	4.891	0	10	BJAE	
CC1(CC2CCC3(CCNC3)CC2)CCCCC1	2038435497	UOGXGEFKMIUVBY-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCc1ccc(NC2C[C@H]3CCC[C@@H]3C2)cc1	2038621509	HIRZTPBWSYDWBZ-HUUCEWRRSA-N	243.394	4.630	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CC1CC(C)(C)C1)C2	2038942125	ZXFDIIQOHUUSJG-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCC[C@H](C)CC2)c(C)c1	2039376383	RKTZNKGBYALLIL-WFASDCNBSA-N	244.378	4.703	0	10	BJAE	
CCC(=C[C@H]1C(C)=CCC[C@@H]1C)CNCC(C)C	2039437192	RRDBPTYYTGVUEV-RDJZCZTQSA-N	249.442	4.561	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CCC1CCCCC1	2039441994	PXRQNSQTWJMYQO-BHYGNILZSA-N	249.442	4.667	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNC1CCCCCCC1	2039454195	YUVCKAWOTSZJQE-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCC=CCN[C@H]1CCCC2(CCCCC2)C1	2040765096	LZSDCDXYNSHLEK-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C[C@H](CC(=O)[C@]1(C)CC=CCC1)C1CCCCC1	2042087909	XYFOWMACZAKQFT-RHSMWYFYSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)c2ccccc2C2CC2)C1	2042278909	OKUBPEDGLXMAQG-OLZOCXBDSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H](C)C1)[C@H]1C=CCCC1	2043188379	STVPAADQMFZNKC-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)CC2=CCCCC2)o1	2043189820	DRKIEJSULMLXJA-OCCSQVGLSA-N	247.382	4.518	0	10	BJAE	
Cc1ccc(F)c(OC[C@H]2CCC=CCCC2)c1	2045313975	FIDIQMSRANBGNT-AWEZNQCLSA-N	248.341	4.649	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCC=CCCC2)cc1C	2045329186	LWLAPDGEDDSYQW-MRXNPFEDSA-N	243.394	4.852	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)C1(C(C)C)CCC1	2045817662	FZGGLQWRRQGFNH-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(N[C@@H]2C[C@H]3CCCCCC[C@H]32)CC1	2047435802	AAIZVCSRFVNIBH-DJIMGWMZSA-N	249.442	4.658	0	10	BJAE	
O[C@@H](C[C@H]1CCC12CCC2)C1=CCCCCCC1	2047934458	BOBJPSWOJHGLKG-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@H]1CCC2(CC2)C1	2049848300	IHXNSHXFUVWFJW-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)C[C@@H]2CCCC3(CC3)C2)CC1	2049859675	QWQOMHYEQWEPRH-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@H](N)CCCCCCC(C)C	2050451492	VXCYOEHIPJXBOS-QGZVFWFLSA-N	247.426	4.991	0	10	BJAE	
CC1(C)CCCC[C@H]1CNC[C@H]1C=CCCCC1	2053394904	UDQJUSNRKUWRPN-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H]2C=CCCC2(C)C)C1	2055530966	DJXFXHKEEBTEFX-OAGGEKHMSA-N	249.442	4.536	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCCC3(CCCCC3)C2)CC1	2055844699	IVIYVMGFVLWWCV-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
O=C(CCCCCC1CC1)C[C@@H]1CCC[C@H]2C[C@H]12	2057354552	QLZXGWFAFVQQHL-YQQAZPJKSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc([C@@](C)(O)CCC2(C)CC2)cc1	2059177119	GYZDEDCVZFEGGQ-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCCC1CC(Nc2cccc(C3(C)CC3)c2)C1	2059398193	RQVJIWHLRZVKIY-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
C[C@H]1CC=C([C@@H](N)C2(C)CCCCCCC2)CC1	2060922268	QPQYJGPBWGELGR-GOEBONIOSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)CC2CC(C)(C)C2)CC1	2061138973	BODWHWYLSQTTCS-ZBFHGGJFSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@]23CCC[C@@H]2C3)CC1	2061600947	DDZOKYQNACEWAZ-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CC[C@@]23CCC[C@@H]2C3)C1	2061606628	MRDDGVKZYCPGCV-MKVSYHDVSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063480159	JEGCOVCQBJYCCP-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC12CC(C(=O)C[C@H]1C=CCCCC1)C2	2064130413	NLMFIPMTHZEIOF-CBCUQQMYSA-N	246.394	4.518	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1cccc2ccccc12	2068985034	UFCWNFSVMICNQX-ZDUSSCGKSA-N	240.346	4.705	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C[C@@H]1CC12CCC2	2069208682	RIGDUOGIDSLUDN-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC12CCC(CC1)CC2	2070412967	HKFRABIDGGWYNK-GTPINHCMSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CCC(N)(C[C@@]23CCC[C@@H]2C3)CC1	2070966414	HWLAJSAGXHXJBM-HTUOJYHCSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)C23CCC(CC2)C3)CCC1	2071920720	ZEISXPSJNVLNSU-BBBYJDLNSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(CC2(N)CC(C3CCC3)C2)CCC1	2071941373	SPNRMBCBVFDUJY-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]2CC[C@H]1C2)C(C)=C(C)C	2072421293	GCXZYPJCESCMDD-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1C[C@H]2CC[C@H](C1)C2	2072426846	VFABVKAZNCIDIU-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)CC23CCC(CC2)C3)CC1	2072870423	BVESWSVVDKBTRY-GZRJIHOHSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CC23CCCC3)CC1	2072882064	RADOFJCYJBVZTC-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H]1C[C@@H]1c1ccccc1	2073340797	HRFDRNKIKIGUFW-IXDOHACOSA-N	246.394	4.512	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cc(O)c(C)cc1C	2073340950	IEVVZOOBSCWSAE-CQSZACIVSA-N	249.398	4.780	0	10	BJAE	
CN([C@H]1C=CCCCC1)[C@@H]1CCC2(CCCC2)C1	2075400730	GEEVYXBFTWAYID-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
CCN[C@H]1[C@H](C=C2CCCCC2)CCCC1(C)C	2076402664	VGJXDOIKRPJBHN-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@@H]2C[C@H]2C(C)C)cc1	2079490300	AUMVUHQFILLTAY-VBNZEHGJSA-N	244.378	4.675	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2079491343	IQGMBDMXKJVUPV-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)c1ccccc1C(C)C	2079840616	DANIDDKSDPDJQC-KBPBESRZSA-N	244.378	4.819	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@@H]1C[C@H]1C1CCCC1	2079870000	IWCNYNLYOIWEMP-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC1(N)CCC2(CCC2)CC1	2079886918	RQWLKHABUAJWTC-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C1CCC1)c1ccccc1C	2080243748	RWQHGXLRCXWVRZ-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCc1ccccc1[C@@](C)(O)CC(C)(C)C(C)C	2081209314	OIHBQALQFXSPHD-KRWDZBQOSA-N	248.410	4.529	0	10	BJAE	
C[C@@H]1CCC[C@@](CNC(C)(C)C)([C@H]2C=CCC2)C1	2081682375	USPKNKJFNPWBGF-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]([C@H](O)c1cccc(C(C)(C)C)c1)C(C)(C)C	2083541008	GECIPHKVGZGCTF-WFASDCNBSA-N	248.410	4.700	0	10	BJAE	
CCCC[C@@H](CCC1C2(CCC2)C12CCC2)NC	2083571176	OJHHCKKCLKCSBB-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CN(CCC1=CCCCC1)[C@@H]1CC(C)(C)C1(C)C	2084444919	RMOZDZUDLMWCSK-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
C[C@H](N[C@H]1C[C@H]2CCC[C@H]1C2)C1CCCCCC1	2086155343	CAWIVPWURYPMET-OTRWWLKZSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)C(CC)(CC)CN[C@H](C)CC	2212587788	LTXAPZOTSUNZOT-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2(C)CC(C)(C)C2)C1	2215441777	ZOSMUJCAQQQPLK-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(CC)(CC)CNC1CCC1	2217123819	BQZLDWFSJHYWPY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)N1	2218369198	ZPBIIOQSTZUPFV-JJTUDDRGSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(C/C=C/c2ccccc2)c(F)c1	2219075979	JWFYVLJBHQZFLR-RMKNXTFCSA-N	240.321	4.698	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)c1coc(C)c1	2220045442	NMYUAQBDTRDVLQ-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC1(C)CC2(CCC2)C1	2220935922	MVZNASRUQIUMGV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@H](O)CCC1(C)CC(C)(C)C1	2221021844	ATTJEVNJKOZGCJ-OAHLLOKOSA-N	246.394	4.635	0	10	BJAE	
CC1(C[C@H]2CCC[C@@H](CCN)C2)CC2(CCC2)C1	2221028317	OSAJBOXRASIXBE-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)CC1(C)CC2(CCC2)C1	2221028594	RGSCPOQIXZCEBS-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(CC2(C)CC3(CCC3)C2)C1	2221041730	UEEVLOZEEJBBHU-XOIINTDNSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1CC1(C)CC2(CCC2)C1	2221042685	ZDNGKPQQYMTGSN-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(Nc2ccnc(C(C)C)c2)CC1	2221606750	IUSICPOYLDMJTE-MRXNPFEDSA-N	244.382	4.506	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)CCC(C)=C(C)C)CC1	2221608163	WKWKQNXAFCGIEG-QGZVFWFLSA-N	249.442	4.801	0	10	BJAE	
CN[C@H](CCCCCCCC1CC1)[C@]12CC[C@H]1C2	2223133923	BDKWDFMORYYPNJ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)(C)C)c1ccccc1	2223558500	MVEYUCYRQZYCPH-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1ccc2occc2c1	2224177105	SFKUVBJYWKHQRG-BLLLJJGKSA-N	245.366	4.649	0	10	BJAE	
CC1(Cc2nc(Cl)cc3ccccc23)CCC1	2246366285	CKLRZOLVNRAWOH-UHFFFAOYSA-N	245.753	4.621	0	10	BJAE	
CCC1(C)CC(N)(CC[C@H]2CCC[C@@H](C)C2)C1	2246654411	AUMVACZYBBSUEO-WXLSXGNJSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CNCCCC[C@@H]1C[C@@H]1C	2247094219	VWRCEWOUEVOQGK-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@H]1CCC1(C)C)NCC	2247385516	GCBUSKIKRSWSRK-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C(N[C@H]1C=CCCCC1)C(C)(C)C	2247753807	CRXZUYZBHYHQLH-ZDUSSCGKSA-N	237.431	4.536	0	10	BJAE	
N[C@H](c1csc(C2CC2)c1)C1CCCCCC1	2248048305	NYBILVSBQNWBSI-HNNXBMFYSA-N	249.423	4.596	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)c1csc(C2CC2)c1	2248070586	TZPJCPLENQYJFW-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H](C)CCC)cc1	2248167546	DKMKOQMLNRRYEO-ZDUSSCGKSA-N	232.367	4.648	0	10	BJAE	
CCC[C@H](CC)N(C)CCCCC[C@H]1C[C@@H]1C	2248837787	GQSCVVQDJGOUKF-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
Cc1ccc(NCCCCC[C@@H]2C[C@H]2C)cc1	2248866771	RMYAZBLRQWXFFI-HUUCEWRRSA-N	231.383	4.623	0	10	BJAE	
CCC1(CNc2cc(C)c(C)c(C)c2)CCC1	2249502281	URGUBPGMXYISPX-UHFFFAOYSA-N	231.383	4.604	0	10	BJAE	
CCNCCC=CCC[C@H](C)CCCC(C)C	2250528602	NJIIYHZOZIVNEI-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](CCC(F)F)C(C)C	2253253035	JMJRAXRGEVQCAQ-OLZOCXBDSA-N	249.389	4.615	0	10	BJAE	
CC1CC(C)(C[C@]2(N)CCCCC23CCCC3)C1	2253658652	RBBWBZYKTWTVOU-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CC(=CC1CC2(CCCC2)C1)c1ccc(N)cc1	2254116096	RKOFRWLBCLGMTL-UHFFFAOYSA-N	241.378	4.643	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)CC1CC2(CCCC2)C1	2254121850	UQUNSBGNKBZCPF-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C1CCC2(CC1)CC2	2254580968	FNNJNPYJPUHLAF-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c(NCC[C@H]2CCCC23CC3)c1	2255288198	OLMNFFVKMHUYIM-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
CCC[C@@H]1CNCCC1=CCCCC[C@H]1C[C@H]1C	2257253586	CPYXJLJTYXYBHA-HYVNUMGLSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@](N)(C1CCC1)C1CC1	2257362767	UPLGLRWGYHHWLL-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)C[C@]12CCCC[C@@H]1CC2	2260579440	REBAJMUSPCBVAJ-UMPJEAMMSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CC12CCCCC2	2300682703	BHENVLYBFLXNRJ-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC(=CC[C@@H]1C[C@@H](C)CCN1)CCCC(C)C	2300876115	CKTQXACIVKRJAI-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@@H](NCC)C1(C)CCCCCCC1	2300904895	TUTCHSMMZDXSLV-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CCCc1ccccc1OC(F)F	2300931039	GJVXDLNNEQSSQK-UHFFFAOYSA-N	240.293	4.577	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CC1CCCCCC1	2301137694	MDDBNDKMUUACCS-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C[C@H](O)CC1CCCCCC1)C1CC1	2301200199	CADQEHDRNOYWFP-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC1(CC[C@@H](N)CCCC2=CCCCC2)CC1	2302359279	PESKSYUXVWZVOV-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CCCCCC1CC1	2302611731	DVRSYCYAMWMOQU-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](CN[C@@H](C)CC)C[C@@H]1CCC(C)(C)C1	2302715250	DQOKSZNWAZFJFO-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@@H]2CCC(C)(C)C2)C1	2302721882	LUNJRSMPPPVEKN-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2ccccc2Cl)CC1	2303598099	YFMOQZRMEBDLDZ-ZDUSSCGKSA-N	249.785	4.888	0	10	BJAE	
CCCC1(C(=O)CC[C@@H]2CCC(C)(C)C2)CC1	2304437708	SFWKPHUJGOYNAO-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(CNC1CC1)C(C)C	2307830554	CWXXXJJKROHLBH-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](O)CC2(CCC2)C1	2307901707	IXAPZZXCOBSHSC-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)[C@@H]1CC12CCCCC2	2307926605	PASQYBGODXNRCV-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@H](N)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2310192484	ZYQMXAUABGCOKO-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](N)c1ccc([C@H](C)CC)cc1	2311535554	GKGDTSTYEOUNTI-BASLNEPJSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@H]1C[C@@H]1C1CCCCC1	2311610421	QNFSKLJUFVJBFS-KLHDSHLOSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCN[C@@]12CCCC[C@@H]1CC2	2313338111	DHKUDNXBIVMZGW-MWDXBVQZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CC1)C1(N)CCC2(CCCCC2)CC1	2313665748	DMRWPHYUJTVFNF-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](N)C1CC2(CCCCC2)C1	2313692304	MXTFNEHAVBAYKP-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@@H](C)CC1CCC1	2313694734	HRQBOTGKIWCUER-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCC[C@H](CNC)c1ccccc1	2316267904	CIAAOTIQIQJNQX-QGZVFWFLSA-N	247.426	4.596	0	10	BJAE	
C[C@@H](CC1CCCCCC1)[C@@H](O)c1ccccc1	2316876149	SAHXAPUZFDQXDS-WMLDXEAASA-N	246.394	4.717	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC=CC1	2316877222	CNNIQOUPHHLPTH-KKUMJFAQSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H]2CC(C)(C)[C@H]2C)cc1	2318227535	UQPFUJPOMLKGTQ-MAZHCROVSA-N	246.394	4.526	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H]1CC(C)(C)[C@@H]1C	2318286704	WKCUUBDGBQWIPR-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1NCCCC1=CCCCC1	2318530738	DOILHUMMCNYMAT-HLLBOEOZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CNCCC1=CCCC1=CCCCC1	2318549475	WTPKUEOHMBZTFZ-KRWDZBQOSA-N	247.426	4.603	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C[C@@H]2CCC[C@@H]3C[C@H]23)C1	2319131713	RHIFJZSUZNPZAG-HLPPOEQASA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C[C@H]3CCCC[C@H]3C2=O)C1	2319141750	VADRXWBDMUBABG-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@H]2C2CC2)C1	2319581613	QWLUJDVFKQJSHZ-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@](CN)(CCC2CCCCC2)CC1	2320268113	MOWGTIVXNXDYQM-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
CC(=C[C@@H]1CC[C@H]1C(C)(C)C)C1CCC(N)CC1	2320307586	MRSWEAMWFGNSRA-BHDPWAOGSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)C1CC2(CCC2)C1	2320320024	KNLKIIXMVUGSHF-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CN2[C@@H](C)C[C@@H](C)C[C@H]2C)CC1	2320346129	CVKYJZLATJSAQJ-IEAZIUSSSA-N	249.442	4.632	0	10	BJAE	
CC1=C(C)C[C@H](NCC2CCC(C)(C)CC2)CC1	2320363505	HBGABDKAXQEXOF-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC(C)=C(C)C1)C1CC(C)(C)C1	2320388583	RGTMGVHSPWTMAN-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@](CN)(CC2CCCCCC2)CC1	2320398202	PZUMTFVHWSFQAC-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
CC1=C(C)C[C@H](CNc2ccc(C)c(F)c2)CC1	2320412566	OVBLXEHFEKNMJY-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H]2CCCC23CCCC3)CC1	2320412634	KIESBWOKKGMZRB-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CN[C@H](CC1CC(C)C1)C[C@H]1CCC(C)=C(C)C1	2320423570	NANWONRLVRMJQB-LCDBUSSMSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1cccc(C2CCC2)c1	2320654751	BHJSOAUWODCAQI-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CC1(C)CC[C@H](CCNC2(CC3CCC3)CC2)C1	2321542237	NOHZZSJUZPHULX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)C2(C)CC=CC2)c1	2327657752	PWFRQDQXLZZQCU-UHFFFAOYSA-N	242.362	4.657	0	10	BJAE	
CCCC[C@H](C=C1C[C@H]2CC[C@H]1C[C@]2(C)N)CC	2327759248	JGOIDSKBBBVPEK-WTTBNOFXSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](CC)CN1CC[C@H](C)c2ccccc21	2328101520	JNXSBNNKQNZHCX-GJZGRUSLSA-N	245.410	4.827	0	10	BJAE	
CCCc1ccc(N[C@H]2CCCC[C@H]2C)cc1	19233044	XZTQXHXUNPYHHN-CJNGLKHVSA-N	231.383	4.630	0	10	BJAE	
CCCc1ccc(N[C@H]2CCC[C@H](C)C2)cc1	20554254	WJEXXVHRTHUJCM-BBRMVZONSA-N	231.383	4.630	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C(C)(C)C)c(C(C)C)c1	21809183	UEEVPIBJEWQBSM-MRXNPFEDSA-N	247.426	4.979	0	10	BJAE	
CC(C)c1cccc(NC2CCCCCC2)c1	21812813	LRXVKEOEKRXNDX-UHFFFAOYSA-N	231.383	4.945	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CCC[C@@H](C)C1	21819577	WBADSQGZHNFAAF-PWSUYJOCSA-N	237.774	4.639	0	10	BJAE	
Cc1ccccc1NCC[C@@H](C)c1ccccc1	34540811	CZLZGOMQKYYTOV-CQSZACIVSA-N	239.362	4.601	0	10	BJAE	
Cc1cccc(NCC[C@@H](C)c2ccccc2)c1	34540815	GFOFANKIHWGRFA-OAHLLOKOSA-N	239.362	4.601	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CC)C[C@@H](C)CC	36792265	GEZFVCGIYMJGQE-SOUVJXGZSA-N	227.436	4.760	0	10	BJAE	
Cc1cc2c(Cl)ccc(Cl)c2nc1Cl	63116163	SHEUYSJDTWOCAC-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCCCCCN[C@@H](CCC)c1cccs1	71105521	ZMAZPXRTIJEKKG-ZDUSSCGKSA-N	239.428	4.759	0	10	BJAE	
CC(C)(C)CC(C)(C)N[C@@H]1CCCC(C)(C)C1	79976058	WJJPXNDEWLNVAU-CYBMUJFWSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)COc1ccc(C)cc1C	85155024	XUKXTDMETBXSOF-OAHLLOKOSA-N	234.383	4.899	0	10	BJAE	
CCC(CC)[C@H](O)c1ccc([C@H](C)CC)cc1	109785441	OISQQFPRIXZANZ-WBMJQRKESA-N	234.383	4.670	0	10	BJAE	
CCCC1CCC(NCCC2CCCC2)CC1	109896711	UQUROLHCLOXVMY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)c1ccc(C)cc1C	111647663	SDFWYVOCMUWMPM-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
C[C@@H](NC1CCC2(CCCC2)CC1)C1CCCC1	129398875	HTIZBSSXEPGKQW-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccc([C@H](C)NCCC2CCC2)cc1	133945625	VIGKCEHHPJMLBC-AWEZNQCLSA-N	245.410	4.651	0	10	BJAE	
CC(C)c1ccc(-c2ccc(Cl)c(O)c2)cc1	156721488	QVINFKWALLUIEB-UHFFFAOYSA-N	246.737	4.836	0	10	BJAE	
Cc1cc(C(=O)CC2CCCCCC2)ccc1F	161886074	HFJNBHICTILOFI-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)c1ccccc1C(C)C	164022085	WHUFBEHCKUVMNM-WMLDXEAASA-N	246.394	4.598	0	10	BJAE	
CCCC[C@H](CC)C(=O)Cc1ccc(CC)cc1	164206503	XQEZDQGOPGGGCY-INIZCTEOSA-N	246.394	4.577	0	10	BJAE	
Fc1ccccc1-c1ccc2ccccc2c1	197975191	ZVAWYGUUQBRPOL-UHFFFAOYSA-N	222.262	4.646	0	10	BJAE	
Cc1cccc(N[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)c1	226965387	YFHWUOGGYUALNV-LXZKKBNFSA-N	243.394	4.622	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)c2cccc(C)c2C)C1	227390788	KEMIJUHIGGRELU-HLLBOEOZSA-N	245.410	4.520	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)c2cc(C)ccc2C)C1	227392033	UVSQFWQMFQEAQO-ZMSDIMECSA-N	245.410	4.520	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCCC2=CCCC2)CC1	228588402	MCNAXOKZLFBMAM-NVXWUHKLSA-N	249.442	4.825	0	10	BJAE	
CCc1cccc([C@H](N)C[C@H](C)CC(C)(C)C)c1	228846733	IJVGFMFEYYTGCT-XJKSGUPXSA-N	247.426	4.711	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCC12CCCCC2	230162115	JOAWCAJFVLTNND-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CCCCC1CCC(CN)([C@@H](C)CCC)CC1	232924222	SIMFOBOXKPIEMS-FHERZECASA-N	239.447	4.748	0	10	BJAE	
FC(F)c1cc(Cl)c(Cl)c(Cl)c1	238656275	MOFHXWXTMOKNGJ-UHFFFAOYSA-N	231.456	4.584	0	10	BJAE	
Fc1cccc2c1NCC[C@H]2C1CCCCCC1	257951442	MBJWSPDAODQILD-ZDUSSCGKSA-N	247.357	4.695	0	10	BJAE	
CC(C)C[C@H](C)CNc1cc(Cl)ccc1F	300900818	KXQGZXKIEXMCBA-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CSc1ccc(NC[C@H](C)CC(C)C)cc1	300922774	MZOITTVYNLIDCI-GFCCVEGCSA-N	237.412	4.503	0	10	BJAE	
CCCc1cccc(C(=O)CCC(C)(C)C)c1	304160024	WFIRIGYPRFTITJ-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCc1cc(Cl)c2c(SC)csc2c1	306609401	KFKOCHMMNWROIN-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1cc2sc(Cl)cc2cc1SC	306906619	MQLTXSHJCGHICZ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CSc1cc2cc(Cl)cc(S)c2s1	307173346	QZTIHHJMIGTNTR-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@@H]1CCc2[nH]c3ccc(CC)cc3c2C1	307990893	XFJGLEMTXQEWMP-CYBMUJFWSA-N	241.378	4.635	0	10	BJAE	
CC(C)NC[C@H]1CCC[C@@H]1CCCC(C)(C)C	309995798	WEXOPUYETHHKRN-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CNc1cccc(C)c1F	310252196	YQKXZLJXCONKBF-ZDUSSCGKSA-N	237.362	4.762	0	10	BJAE	
CCC(CC)[C@H](C)NCC1CCC(C)(C)CC1	310302654	BWKAVZCVGPNKTR-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NC[C@@H](C)C2CCCCC2)cc1	310499634	QQFOTLCHCFYRPK-CQSZACIVSA-N	231.383	4.623	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@H]1NCCCC(C)(C)C	313251117	IBMKCPDVCRTAHE-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)(C)C)[C@H](C)C(C)C	319788589	HSBZUWMFBLSMFK-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](CCC)C1CCC1	322452307	ILHKRIVSTPXDBG-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
CC1CCC(C[C@@](C)(O)C2CCCCC2)CC1	382448222	GAKZUNVWFUULEY-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@H](C)CCNCC(C)C	383117550	BEGUOJIGKMUCCE-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccc(C(F)F)cc1	386347977	UEVOZXDWGPBISP-ZWNOBZJWSA-N	239.309	4.615	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1	392965054	RJSKQUBRZXAQEV-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(C)c(C(F)(F)F)c2ccsc12	396307623	RGFSBBWSOMLUTP-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)C1CCC(C)(C)CC1	402176627	WOOLUBPUOMGOBN-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccc3c(c2)CCCC3)C1	404644554	NGNFQTXJRQPMAJ-BBRMVZONSA-N	243.394	4.556	0	10	BJAE	
CCCC[C@@H](NCC(C)C)[C@@H](C)c1ccccc1	405573815	XFNGSMFVKLINKZ-DOTOQJQBSA-N	247.426	4.595	0	10	BJAE	
CC(C)[C@H]1CCC/C(=C\Br)CC1	606288521	ZPCIPGABGKWBDI-UQSGXBNBSA-N	231.177	4.502	0	10	BJAE	
CCN[C@H](CCCC1CCC1)c1cc(C)oc1C	688413630	KGLZVWFIKUHQGN-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
CCCN[C@H](c1cccc(C(C)C)c1)[C@@H](C)CC	688950607	MLQODMUIZISGSY-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@H](C)C(C)(C)C	691106780	WJTSAEULFDCMDW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](N[C@H]1C=CCC1)c1ccccc1	698235898	DRHPPKYGYXXQIN-IRXDYDNUSA-N	243.394	4.616	0	10	BJAE	
C[C@H](C[C@@H]1CCCC[C@@]1(C)O)C1CCCCC1	699659958	KCBGMNKLGUFVHC-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCCCC[C@@H]1C(C)C	701093974	HESDPTCZNGGUAL-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@]1(C)CC1(C)C	702199512	AKJUMDDTKOIXRI-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@@]2(N)CCCCC23CCCC3)CC1	704486493	KEAKESOIOHQNIH-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(N)CCC(C)(C)C)C1	704857727	YHXSSEXWXGKHHN-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@]1(O)CCCCC[C@@H]1CC	709201342	UJENIFSESFDBEL-LSDHHAIUSA-N	226.404	4.678	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1nccc2sccc12	710015763	HBTSPFWCMDSQPA-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H](C)C(C)(C)C	711194080	AAPDDAFREUMKNX-STQMWFEESA-N	226.404	4.844	0	10	BJAE	
CC(C)c1ccc(OC[C@@H](C)C(C)(C)C)cc1	711248593	MQDJMBPGGZMFMC-CYBMUJFWSA-N	234.383	4.871	0	10	BJAE	
Cc1cc(C)c(N[C@H]2C[C@@H]3CCCC[C@@H]32)c(C)c1	712392928	AIBWUAKNELVKMR-JYJNAYRXSA-N	243.394	4.602	0	10	BJAE	
CCc1cc(N[C@@H]2C[C@H]3CCCC[C@H]32)ccc1C	712481043	ISWUGBAOLDRZHI-DJIMGWMZSA-N	243.394	4.548	0	10	BJAE	
C1CCC2(CC1)CCC[C@H]2NCCCCC1CC1	716370265	GJPVFNYZVBIYES-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1CCC[C@@H](C)C1	718650314	HESMNQJGGOZKMB-FVQBIDKESA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)N[C@@H]1CCCCCC1(C)C	719241136	USHZVWBJIIKBQW-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@@H](NC)c1c(C)sc(C)c1C	722498767	YNGKELXKCBXHQJ-CYBMUJFWSA-N	239.428	4.514	0	10	BJAE	
C[C@H]1C[C@H](CC2CC(C)(C)C2)c2ccccc2N1	723542444	KHGVVUSLVQBWIE-GXTWGEPZSA-N	243.394	4.801	0	10	BJAE	
CCC(CC)S[C@@H](C)c1ccccc1C	1652643624	CZWIKLIHXWDASO-LBPRGKRZSA-N	222.397	4.978	0	10	BJAE	
CC(C)CCN[C@@H]1CCCCC12CCCCC2	1875414370	LVDFBWXFHYMAFZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H](C)[C@@H](C)C(C)C	1901707765	GJWCDTMRCHKDQM-RYUDHWBXSA-N	239.790	4.741	0	10	BJAE	
Cc1cc(-c2nc([C@H]3CC3(C)C)cs2)cs1	1901909537	RQVRNMXEUNGVQM-SNVBAGLBSA-N	249.404	4.694	0	10	BJAE	
CCc1cscc1N[C@H](C)CCCC(C)C	1902376611	KLADAWPYXQDVQL-GFCCVEGCSA-N	239.428	4.937	0	10	BJAE	
Cc1ccc(Cl)c2occ(C(C)C)c12	1907243853	GILUZGIICCPFDB-UHFFFAOYSA-N	208.688	4.518	0	10	BJAE	
C[C@@H]1C[C@H]1CCNC1CCCCCCCCC1	1909571784	LIKYJNQEBUAYIE-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(=CCCNCC(C)C)C[C@@H](C)C(C)(C)C	1912033459	AHFZNUSPCUYIAE-OAHLLOKOSA-N	239.447	4.641	0	10	BJAE	
C[C@H](C[C@@]1(O)CCC2(CCCC2)C1)C(C)(C)C	1916428419	VLRDNBAAFVTJFC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@](C)(O)c1ccc(C(C)C)cc1	1920024307	DCFGGOBSGMAXGZ-JJRVBVJISA-N	248.410	4.700	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C1CC(C(C)C)C1	1921162929	CERABPWEILFGES-UYSNPLJNSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CCNc1ccc(C(F)F)cc1	1926187627	UMKJCQGCWVDFQD-UHFFFAOYSA-N	241.325	4.862	0	10	BJAE	
CCC(CC)C[C@H](O)CC1C[C@@H](C)C[C@H](C)C1	1926351827	CWIAWEGBBMACDO-XEZPLFJOSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC1(C)CCCCC1	1935624324	BDXZAWCILVRMSN-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C(=O)c1sc(C)cc1C)C(C)C	1936208697	HYWQNQOMCZVKFA-GFCCVEGCSA-N	238.396	4.620	0	10	BJAE	
Fc1cccc(C[C@@H]2C=CCCCC2)c1Cl	1939327853	CFJNEVXLDMTQGC-LLVKDONJSA-N	238.733	4.768	0	10	BJAE	
Cc1cccc(C)c1NCC1(C)CCCCC1	1940413435	DMVAFPMTJLXLLE-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1[C@@H](C)[C@H](C)CC[C@H]1C	1940845683	HASKKYYBLMXPNX-RBGFHDKUSA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](O)CC1CCCCC1	1941244290	UZIMVKWLVHUMSF-JKSUJKDBSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC1CCC=CCC1	1941791961	TZHGYRSXLDTTLH-UHFFFAOYSA-N	236.399	4.764	0	10	BJAE	
O=C(CC1=CCCCC1)CC1CCC=CCC1	1941792197	BIZIPTYTTWEHLI-UHFFFAOYSA-N	232.367	4.583	0	10	BJAE	
CC1(C)CC(C)(C(=O)CCCCCC2CC2)C1	1941985207	GSZPVBSZMXMZFR-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943040331	NVVRXJFYNRXWPS-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CC(C)(C)CC2(CC2)C1	1943082531	RDCZXCDZJCUTSR-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C(=O)CC2C[C@H](C)C[C@@H](C)C2)CC1	1944198208	FJXSSLDWHSJFNC-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CCC[C@@H]1C)NCC	1944822421	YYUXPPIWJNVSTI-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(CNC1(C)CCCCCC1)C(C)C	1945604526	BIMMSXXDRSVWQV-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)NC1CC(C2CCCCC2)C1	1945994260	MWEKQFRKOCNZLT-HWOWSKLDSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](C)C(C)=CC(C)(C)C1CCCCC1	1946179433	BUEVQNPWLSIYHI-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1C=CCCC1	1947551471	GFOIHYIRPKVWPK-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)C(C)(CC)CC	1947583497	ZPBUIVAFSUGRGZ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C[C@@H](N)CCC(F)(F)CC)C(C)(C)C	1947989892	DCFNJDYJKPRZKQ-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@H](C)C1CCCCC1)C(C)(C)C	1949044875	BTEFTWLJORUQQO-GZBFAFLISA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CCC1(CO)CCCC1)C1CCCCC1	1950365382	XCACTYQJNQFNNQ-AWEZNQCLSA-N	238.415	4.536	0	10	BJAE	
CC=C[C@@H](C)Cc1c(C)cc(OCC)c(C)c1C	1951308541	INFKXLTZHLKXTN-GFCCVEGCSA-N	246.394	4.765	0	10	BJAE	
CC(C)(C)C1CC(C[C@H]2C=CCCC2)C1	1960638525	ZGQSJRNIUYIWIU-HSBZDZAISA-N	206.373	4.805	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1N[C@@H]1CCCCC12CCC2	1967799503	UTPHXKKTOMLNKN-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC1CCC(Nc2ccc(C3(C)CC3)cc2)CC1	1967850569	VPSDXEXNSDDJMD-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC3(CCC3)C2)cc1	1968426380	OAIMNOCRJCABQE-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
Cc1cc(N[C@H]2[C@@H](C)[C@@H](C)CC[C@H]2C)ccc1F	1968591469	JLMYPLBOKWIDNV-NGOBNIPXSA-N	249.373	4.617	0	10	BJAE	
CC(C)C[C@H]1CC[C@H]1Nc1cccc(C2CC2)c1	1972462959	XWTXICHSMNZENF-NVXWUHKLSA-N	243.394	4.801	0	10	BJAE	
CCC/C=C/CNc1ccccc1C(C)C	1975489273	VJSNRDPLOFYKPO-RMKNXTFCSA-N	217.356	4.578	0	10	BJAE	
CCC(C)(C)CC(=O)C1(C)CCCCCC1	1978450181	LOISCYBKNCHSDY-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](C)Nc1cc(F)c(F)cc1Cl	1980289657	VXCSQJLDULWHNR-QMMMGPOBSA-N	247.716	4.609	0	10	BJAE	
CCC1(C)CCC(N)(CCC(C)(C)C)CC1	1981061276	SOESSGMACVUNPH-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCCCCC(=O)C1(C)CCCCCCC1	1981428938	XZAOUMORWWXFGC-UHFFFAOYSA-N	224.388	4.886	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cc(Cl)ccc1C	1993485078	XTYUAISDLBGRRR-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CC1(C)CC(c2cc3cccc(Cl)c3[nH]2)C1	1994130790	OADUNLRTPVCLQX-UHFFFAOYSA-N	233.742	4.725	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CC1(C)C	1995214642	NPKUSVBCRSFTKS-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](N)CCC2CCCCC2)C1	1996248670	XNOCNJIBRUYDRS-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)C[C@H]1CC[C@@H](C)C1	1996271917	SYGZEIAMDSJUJQ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H](C)C(C)(C)C)NCC	1996609819	AQNIMJOKOBDHTN-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CCC)NCC12CCC(CC1)C2	1997007338	DHHOUFPGSMPOOY-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@H](C)[C@H](C)CC	1998031954	JLNQZCKJDHHWCG-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@H]2CC)cc1	1998750850	BNUDSLWISUKKBZ-WOSRLPQWSA-N	231.383	4.801	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CCCC1(C)CC1	2000196100	CKKGOLQHJXFFFR-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCC12CCC2	2001861891	DFJKRCJNMXJBJL-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC1CCC([C@H]2CCCCCC[C@@H]2O)CC1	2003101680	XRRNLWSWGJHVJV-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)(CCC(=O)[C@@]1(C)C=CCCC1)C1CC1	2003333585	FCIQYUUKAGFISJ-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H]([C@H](C)CC)C1(C)CCCCCCC1	2004924018	XDJRRPNDVMHMON-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)C(C)(C)C1CCCCC1	2006724664	BQRJGUQCPXNBLA-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(N)CC(CC)(CC)C2)C1	2009304005	KRHXQEZRHXEAML-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCC[C@@H](C)CC2)C1	2009713592	CDIUBSVDRRCIOC-YHNBSYBMSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C1=CCC(C)(C)CC1	2010711806	DDWDFIWNYVSEEC-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
Cc1sccc1C(=O)CC1CC(=C2CCC2)C1	2011068289	MOTODLVJQIKWRQ-UHFFFAOYSA-N	246.375	4.520	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC12CCC(CC1)C2	2012835620	YQMZFPQLMAXYTR-LBDPXKHJSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC12CCC(CC1)C2	2013271843	WHPYZJXDAUHQSL-GPANFISMSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)C)C1CCCCCCC1	2015268736	FNQHXKBDMBVMEX-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@](N)(CCC(C(C)C)C(C)C)C1	2015346252	CIQCUQKAPOWHAF-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCC[C@]1(N)CCC(C(C)C)C(C)C	2015360586	JRABYWUQEPVIQP-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)C[C@H](N)CCC(C(C)C)C(C)C	2015361776	YWHQHRBUMCZEMI-OAHLLOKOSA-N	241.463	4.848	0	10	BJAE	
CC(C)[C@@H](C)C[C@H]1C[C@@H](C)c2ccccc2N1	2015402902	WTBQWALXIZIHFB-MJBXVCDLSA-N	231.383	4.657	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)C1(C)CCC(C)(C)CC1	2016415711	BVEJEVBUELXOSL-WBMJQRKESA-N	236.399	4.598	0	10	BJAE	
CCNC[C@](C)(CC)CC1(C(C)(C)C)CCC1	2017142674	XQIUBBYFTRZJCI-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)CC1(C(C)C)CCC1	2017147141	ZQVWJPUTTIVGLT-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)C[C@H](C)CCC	2017238925	RFJCVOASSGERFM-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)CCCC2CC2)CC1	2017731115	NVTLYKBTARCVSP-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(C)(C)CC(C)=O)CC1	2017774877	UWEPTEOXNOUIMA-SHTZXODSSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@@](N)(CC)C1=CC[C@H](CC)CC1	2018139897	XDWMVSOXLURSHV-HOCLYGCPSA-N	237.431	4.811	0	10	BJAE	
CCCC1(C[C@@](C)(N)C2(C)CCCCC2)CC1	2018999305	KUWDTHJPRMEYQO-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)CN(C)C[C@@H](C)C1CCC1	2019190442	XDCNKYQMUITSLN-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](C)CCC(F)F	2019193177	LJIAJTXGFMGDIC-STQMWFEESA-N	249.389	4.568	0	10	BJAE	
C[C@H](C[C@H]1CCCC(C)(C)[C@@H]1O)CC(C)(C)C	2020403900	AJTNHXPHXKDSMY-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(=O)C[C@H]1C[C@H]1C(C)(C)C)C(C)C	2022560449	OORXSXTZRGFDDC-HZSPNIEDSA-N	238.415	4.700	0	10	BJAE	
CCCCC1CC(O)(CCCCC(C)(F)F)C1	2023305877	XXOWBZBLLRJDKH-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)C[C@H]1CCCC(C)(C)C1	2024097090	WSWFUXOWAIMHQR-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(C)CCCCCN2)C1	2024097914	YVFAOMFPUIIENE-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CCCC(C)(C)C1	2024102877	WRWMEYPOBLQRQV-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CCCC(C)(C)C1	2024128079	JXHRXFPQSOKFBR-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CCC1CC(CC(=O)CCC[C@@H]2CC2(C)C)C1	2025435847	OQHUHOWRILSQEL-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC=C(C)C)NCC	2026057989	BJHCPTQFRLPTSA-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CC1(C(=O)c2ccccc2C2(C)CC2)CCCC1	2028569193	NVPOHCBENXXSFL-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C1CCCCC1	2028899084	XCIBTBACQDWHEJ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CNC2(CCCC2)[C@@H]1C1(C)CCCCCC1	2033534775	KKCONVONHNSVET-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCCC1)NC1CC(C2CCCC2)C1	2033765877	BBKMGBOVFJRDFR-IGEOTXOUSA-N	249.442	4.514	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CC[C@H]2CCCC[C@H]21	2034265741	VTOFAESURNPSQF-XJKCOSOUSA-N	247.357	4.515	0	10	BJAE	
C1CCCCC(N[C@@H]2[C@H]3CCCC[C@H]32)CCCC1	2035888264	AFIFMFLZPRCZNJ-FVQHAEBGSA-N	249.442	4.658	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)CC1CCCCC1	2037102144	RIAPBYVKNFYBCF-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)[C@@H]1CCC2(CCCC2)C1	2037591371	DCNFOLKXCVMLEE-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N([C@@H]2CCC3(CCCC3)C2)C1	2037673932	AHXYFAHNFJHQEC-ARFHVFGLSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)[C@]12CC[C@@H]1C2	2039752076	MNLDGTIIXMNDFQ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C2=CCCCCC2)CC1	2040641622	OKYXRGVQTBSYPM-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
C[C@]1(C(=O)[C@H]2CCC3(CCCC3)C2)CC=CCC1	2042089990	VZXCQUWOELBZPG-HOCLYGCPSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC3(CCC3)C2)CC1	2043605456	LNLZYHHYAQCQBM-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1ccc([C@H]2C[C@H]2C)o1	2045562779	YWWUXJHIAULWHL-XQQFMLRXSA-N	248.366	4.658	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@H]1CC12CCCCC2	2047011799	LXDKBPSIHISAHD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC1CCC1)C[C@H]1CC12CCCCC2	2047020302	OQWSFRBGDNBQIN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@]1(CCCC2(C)CC2)CCC12CCC2	2047937765	AGLVPFKUIYOWKE-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@H]1[C@H]2CCCC[C@H]21	2048364335	XQNJEKMYLUNHEL-MPTYRVRUSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048443915	VMGXGSCDHXDJMJ-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1	2049512610	USJOUESTTYBPSP-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
c1ccc2c(c1)ccn2C[C@@H]1CCCC2(CC2)C1	2049966375	YIRBDGFBBOYNIL-CQSZACIVSA-N	239.362	4.612	0	10	BJAE	
C[C@]1(CNc2ccc3ccccc3c2)C=CCC1	2049979264	MTUBNXVMWOWBEB-KRWDZBQOSA-N	237.346	4.608	0	10	BJAE	
CCC1(CC)CCC(N)(c2ccc(C)cc2)CC1	2051596149	QBHPTCVHESCMIQ-UHFFFAOYSA-N	245.410	4.529	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCCCC12CC2	2053434432	SARZJAJVPORSRI-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1([C@@H]2CCC[C@H]2C)CCC=CCCC1	2055277468	NBAWMZKBMJINGV-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCCCC1CC(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)C1	2059392937	YOFYALPABJAJDT-QZRVTLOJSA-N	249.442	4.514	0	10	BJAE	
CC1=CCCC[C@]1(N)C1=CC[C@H](C(C)(C)C)CC1	2061120379	XDAYTOAJMJUFSQ-WMLDXEAASA-N	247.426	4.587	0	10	BJAE	
C=C=CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NCC	2061564134	WHUKSMSZVLANJH-BZUAXINKSA-N	249.442	4.548	0	10	BJAE	
C1CCCCC(NCC[C@@]23CCC[C@H]2C3)CCC1	2061572768	SYZNLDPWUFZJGL-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CC[C@@]12CCC[C@H]1C2)CC1CCC1	2061575118	OUPWLIWMSGHXNT-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](N[C@@H]2CCCCCC23CC3)CC[C@H]1C	2062018499	RXMMFLUNUCPRAP-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC2(CC(C[C@]3(N)CCC(C)(C)C3)C2)C1	2063204745	SUEQWBBXODPEQL-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@H]1CC(=O)CC(C)(C)C1)c1ccccc1	2063717004	YIRQBMGHHMLONV-UONOGXRCSA-N	244.378	4.576	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCC(C)(C)C2)n1	2066348247	ZXLXXDKPAILDFZ-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H]1CCC1(C)C	2068232426	GBZJKRJOCZOPHT-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H]1CNC1CCC2(CCCC2)CC1	2068245212	QRJJBIOTXXTUHY-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@]23CCC[C@@H]2C3)CCC1	2069336565	BAQNZFLNEVHNSC-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](Nc1ccc2ccccc2c1)C1CC=CC1	2070797498	WDUMHDIUNRMRFZ-ZDUSSCGKSA-N	237.346	4.606	0	10	BJAE	
CC(C)C1(C[C@H](N)CC2CC3(CCC3)C2)CCC1	2071951712	VRVHOTXEUWCYAJ-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1c(C)coc1CC	2072419485	YIVLYIBPCQATOI-INIZCTEOSA-N	249.398	4.547	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)C12CCC(CC1)C2(C)C	2072421933	KCJHQTLOOROICQ-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)CC2CC3(CC3)C2)CC1	2072696956	QHSDIWWQDAEHOM-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
CCCOc1ccc(N[C@H](C)C(C)(C)CC)cc1	2072833302	QJGQWGAXIWIDOG-CYBMUJFWSA-N	249.398	4.712	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)c2ccoc2C)CC1	2072876013	VFAILUSDLBTTJJ-HDJSIYSDSA-N	248.366	4.767	0	10	BJAE	
CCCC1(C[C@@H]2CCN[C@@H](C3CCC3)C2)CCC1	2073783436	VWUJXSLBELTEBF-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@]23CCCC[C@H]2C3)CC1	2074030287	SGWVAXDVMCQWII-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC[C@]12CCCC[C@H]1C2)C1CCCCCC1	2074044418	YTXQGFGIFLCVAZ-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@]23CCCC[C@H]2C3)C1	2074094894	OMRZEGPZYOHBAI-ICEJCHNJSA-N	248.410	4.598	0	10	BJAE	
CCCC1(COc2ccccc2C(C)(C)C)CC1	2074562296	HUUFFJKLVIGHMQ-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
CCCC1(C[C@@]2(CNC(C)C)CC=CCC2)CC1	2074625607	CJXWIMHVLNMGNP-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCc1cccc([C@@H]2CCCC(C)(C)C2=O)c1	2076443965	VMMBJUMKWTXSKU-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1ccc(C)c(F)c1	2077190854	WXHDBEGRJBJMAS-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2C[C@@H]2C2CC2)CC1	2079312709	RHRYBPULAOVPFY-CBUUIXETSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCC1)[C@@H]1C[C@H]1C1CCCCCC1	2079473297	KCFMBRXKALYXDU-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@@H]2C2CCCC2)CCC1	2079481052	BBMIPZCXPFKGDW-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
C1CCCC(N[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079530656	RFKIWGHXWUAMIB-IAGOWNOFSA-N	249.442	4.658	0	10	BJAE	
CC1(CCCN[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079532162	VRWLTBXMNCISEI-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C(CN1CCCC[C@H]1C1CCCCC1)=C1CCC1	2081801981	HZYQWVMFYHIGKB-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
CCCCCc1cccc([C@H](CC)NCCC)c1	2082715444	POEXCWWKBDIFTH-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2CCCC23CC3)C1	2082979734	PXQZOQWIEVRIEL-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NC)c1ccc(C)cc1	2086049595	FOGACNJQVCIKLG-RHSMWYFYSA-N	247.426	4.862	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1C[C@H]2CCC[C@H]1C2	2086157735	IPDIAWZDLCRAMB-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC/C=C/c1ccccc1	2210662463	OVZCTRWUARSEOY-BKOCDZFLSA-N	214.352	4.916	0	10	BJAE	
C[C@H]1CC[C@@H](CCC=Cc2ccccc2)C1	2210663074	XGXRKZNWLFCTHD-GOEBONIOSA-N	214.352	4.916	0	10	BJAE	
Cc1ccc(Cl)cc1NC1CC(CC2CC2)C1	2213377699	ICHPFTWOBFBLKT-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
CC[C@@](O)(CCCCCCC1CC1)C(C)(C)C	2213577153	YONLYWBIZFNQMG-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
C[C@](N)(CCCCC1CC1)CC1CCCCC1	2214565692	OSRSFMJIDYHHDP-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CCCCC2CC2)C1	2214586734	XJWSVIFKADVVSK-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H](C)C(C)(C)C)CC1	2215820397	DGAZJWZSCIFEKA-CJNGLKHVSA-N	236.399	4.764	0	10	BJAE	
CCC(CC)CN[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216255025	BLFVICRYXLABTE-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CN[C@@H]1CCC[C@H](C(C)(C)C)C1	2216256579	IICCNZHTNKOMOG-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C(C)(C)CCC	2216279647	PQYPHPINRDPCJS-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(Cl)ccc1NC1C[C@H]2CC[C@@H]2C1	2217280580	JNVZHWANYLSPMP-VXGBXAGGSA-N	249.785	4.503	0	10	BJAE	
CC1(N)CCC(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218332882	NOWNZFBMKDBNJW-LJEMCRLJSA-N	249.442	4.501	0	10	BJAE	
CCCCCc1ccc(NC[C@@H]2CC[C@@H]2C)cc1	2220549171	IDLACUQLNFDIBF-HOCLYGCPSA-N	245.410	4.877	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)C1CC2(CCCCC2)C1	2220880260	RIVKXNJWTIGUFI-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CC1(C)CC(C)(C)C1	2221001374	HTTDFQBKICZFCI-CQSZACIVSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC2(C)CC3(CCC3)C2)C1	2221073436	URKIJNBOJZTJPQ-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)[C@H](CC(C)C)C(C)C	2222013786	LJKQANMOTMSAMX-NVXWUHKLSA-N	248.410	4.655	0	10	BJAE	
C(CCCN[C@@H]1CC[C@H]2CC[C@@H]21)CCCC1CC1	2223157916	IFWGCHCQVCFOGN-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@]1(NCCCCCCCC2CC2)CC=CCC1	2223161371	DBTCAVLBSRUMGW-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)[C@@H](C)c1ccc(C)cc1	2223968422	PYISVZHSFUUKDD-GOEBONIOSA-N	247.426	4.513	0	10	BJAE	
CCCC1(C[C@@H]2CCc3cc(C)ccc3N2)CC1	2224127948	ORNRHDQSMRWOAG-HNNXBMFYSA-N	243.394	4.692	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1cccc2ccoc12	2224168852	XDHKHDUGTCQBGT-OAHLLOKOSA-N	245.366	4.649	0	10	BJAE	
CCC[C@H](C(=O)CC1=CCCCC1)C(C)C	2243207911	GLCVEMVXCPTXPQ-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
CCCCCCSc1cc(C)c(C)cc1N	2246069593	NLVDGCCTKQMVBM-UHFFFAOYSA-N	237.412	4.558	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H]2CC=CCC2)C1	2246660395	PNEADTTUSIKMSM-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CCC[C@](C)(CC[C@@H]1CCC[C@@H](C)C1)CNC	2246661448	AEZCZIDRAJNFHM-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CN(C)CC[C@@H]1CCC[C@@H](C)C1	2246679366	NWSQHAZBGMMBNH-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCC[C@@H]1C[C@H]1C	2247166996	RGKAUZRFICPNDF-FVQBIDKESA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H]1CCC12CCC2	2247309186	UOBGDIOHSVSORO-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@]1(CN[C@H](C)CC)CCC12CCC2	2247325997	IAOVYXVPBIHOAC-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@](O)(C[C@@H]2CCC2(C)C)CC1	2247415157	NELLWTIXPYKDJK-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
Cc1c(Cl)cccc1[C@H](N)CC1=CCCCC1	2247459787	ZBKRLRBVLRCSJO-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
C1=CCCC(Nc2ccc3sccc3c2)CC1	2249289455	LHXHVIWNILVFNJ-UHFFFAOYSA-N	243.375	4.812	0	10	BJAE	
CCC[C@@H](CC)CNCCC1CCC(C)CC1	2250391562	XKSCTARQCDVVTP-HWOWSKLDSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)CC(C)(C)F	2250479807	YTEKZXFNTRFQKZ-KBPBESRZSA-N	246.410	4.728	0	10	BJAE	
CCCC[C@](C)(CN)C[C@]12CCCC[C@@H]1CC2	2251221585	OFYKDVRKEOUCPV-OWCLPIDISA-N	237.431	4.502	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)C2CCCCC2)C1	2251546633	ZHPPDDNYVVSGIU-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC(=O)CC1CC(CC(C)(C)C)C1	2251570722	IGOBGMJJXLDCKU-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC1CC(C)(C[C@]2(N)CC[C@H]3CCCC[C@H]3C2)C1	2253656194	QZJSZFVINUSJML-QLOXVCQLSA-N	249.442	4.501	0	10	BJAE	
Fc1ccc(OCC[C@H]2CCCCC23CC3)cc1	2253818059	YPNMFZZQRNJZMK-CYBMUJFWSA-N	248.341	4.565	0	10	BJAE	
CC1(C)C[C@@H]1C[C@@H](N)CC[C@@H]1CCCCC12CC2	2253821480	LTINRFUSENEBQB-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCC1CC2(CCCC2)C1	2254073628	VVVPPWCGABDBDX-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(C[C@H]1CCC12CCC2)C1CCCCC1	2255024331	MOSXCWMRBOWSJH-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)CC2=CCCCC2)C1	2255096144	JAFAZLDVVDZFRD-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CCC1CCCC1)CC[C@H]1CCCC12CC2	2255290667	IJQRDRUMSVEMGF-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC([C@](C)(N)CC[C@H]2CCCC23CC3)C1	2255334100	YKOHICPLNWALQI-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CC[C@H](C)[C@@H](C)C1	2256115697	QEAOARLEYWFSSG-SGMGOOAPSA-N	249.373	4.625	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21	2257248340	SHEDVLRLOIGFDA-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CCNC2(CCC2)C1	2257362663	UAQBATYUHFBJQX-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CCC[C@H]3C[C@H]32)c1	2257905409	BGLCGNMFWQXWEB-APHBMKBZSA-N	243.394	4.585	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)c1cc(C)ccc1C	2259451014	BKTWNKHWEWGAMP-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
Cc1ccc(C)c(OCC2CC3(CC(C)C3)C2)c1	2259557411	YFAKIWPWORNVIL-UHFFFAOYSA-N	244.378	4.509	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)C[C@@]12CCCC[C@H]1CC2	2260581223	DAZNQFRPKFZSIP-AESZEHBQSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@]12CCCC[C@H]1CC2)C1(C)CC1	2260584288	UREUUSQZHRDTDN-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CN1CCCCCC1(C)C)CC(C)(C)C	2298876963	VHBYTDGAXGIYJS-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CCC1(CN[C@H](C)CC)CCC1	2300699214	FEZBNQFURCKCDK-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](C)(CN)CC=C(C)CCCC(C)C	2300869220	GOPPYEIUTMRWNY-MRXNPFEDSA-N	239.447	4.914	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@H]1CCCC(C)(C)CC1	2300874117	GZHPGZRJBWWOBO-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CC(=CCC1(N)CC(C)(C)C1)CCCC(C)C	2300893515	SOIBRFMIGCMPLK-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CC[C@H]1C[C@@H]1C	2300902925	ZDZZLZXWSWTERL-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@]1(O)C=CCCC1)CCCC(C)C	2300915920	IBYMMWLMVUJUCK-INIZCTEOSA-N	236.399	4.620	0	10	BJAE	
CC(=CCC(=O)[C@]1(C)C[C@@H]1C)CCCC(C)C	2300923413	IOKJPTGGOJURCF-GOEBONIOSA-N	236.399	4.764	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C(C)(C)C(C)C	2301140754	RQQZRCXTBCGHAW-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)NCCC=CCC1CCCCCC1	2301184526	BCEIYRZYNIONGF-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC1(N)CCCCCC1	2303476219	FDCJRNGRDFRZAX-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CC[C@@H]1C(C)(C)C)NC	2303476603	SNKYAYNEGFMVHT-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)CCC2CCC2)C1	2304416354	SFTGNDCVXGMILA-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC1([C@H](N)CC[C@@H]2CCC(C)(C)C2)CCC1	2304430635	CDOQRMOPHVDLDS-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC[C@H]1CCC(C)(C)C1	2304446309	HHOXVDKEKVRGHL-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CNCC)C1CCCC1	2307845986	SKAUAJKGDMZESO-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(CO)C1CCCCC1	2307877442	LWKSIEUPXLIKRU-ZBFHGGJFSA-N	240.431	4.782	0	10	BJAE	
CCc1cc(N[C@H]2CCC[C@@H]3CC[C@H]23)ccc1C	2309518554	XGBDPNWNESZUEA-PVAVHDDUSA-N	243.394	4.548	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2CC[C@@]3(C)C[C@@H]23)CC1	2310549970	LVPCPXMYVKKVMV-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@H]3C[C@@H]2C3)CC1	2311022947	RJUZDKCJRZVWRV-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@@H]1CC)[C@]1(C)CC=CCC1	2312456654	CMXYISJZIGYFAD-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313181467	RSIWQFHZFMJBOF-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
C1CCC(C2(C3CCCCC3)CCNCC2)CC1	2316416915	WAASLNJSONWCGI-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(=CC=C1CCCNC[C@H]1C)CCCC(C)C	2316557371	NGPBSNZFHXMXBR-MRXNPFEDSA-N	249.442	4.705	0	10	BJAE	
CC(=C1CCNC2(CCCCC2)C1)[C@@H](C)C(C)C	2317825363	XHDXXXWCWMIJQX-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1[C@H](Nc2cccc(C3CCC3)c2)CC1(C)C	2318256119	UHRDKNYQBOCAON-BLLLJJGKSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC[C@@H]2CC[C@@H]2C2CC2)C1	2319692775	LFMWYNPVRALNOR-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H]2C[C@@H]3CCCC[C@H]3CN2)CCC1	2319875414	LQHBCVIPFITLDW-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CNCC1(C[C@@H]2CCC(C)=C(C)C2)CCCCC1	2320331943	UHDKOELDCFVSEA-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@H]2C[C@@H]2C(C)(C)C)CC1	2320336806	IRHJFFYKZLQVNC-FXUDXRNXSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@]2(C)C=CCCC2)CC1	2320389676	CLQUMTQZUVRROD-BRWVUGGUSA-N	247.426	4.587	0	10	BJAE	
CCC(C)(C)[C@](C)(N)Cc1cccc(C(C)C)c1	2320663929	HSDGLUIPKWTZLZ-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
CCN[C@@H](CC)c1cccc(C2CC(C)(C)C2)c1	2321030269	PBVLZQIDVZLOJQ-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CC[C@H](C)[C@H](C)N2)c1	2327786373	IXRJRVFTYCVGIN-ZQIUZPCESA-N	245.410	4.568	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1cccc2ccoc12	2328198747	BCIFXHCQXZNNIC-DOMZBBRYSA-N	245.366	4.649	0	10	BJAE	
CCC[C@@H](CC)C[C@](O)(CC)c1ccc(C)cc1	2328209841	MAJCQNWXYLPQFV-NVXWUHKLSA-N	248.410	4.809	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)CCCCC	36792253	ZCVXNXGWTPFYGS-CABCVRRESA-N	227.436	4.904	0	10	BJAE	
CCCC1CCC(N[C@H]2CCC[C@@H](C)C2)CC1	37252960	LAKTWFHXPNERRM-LMPOIIKSSA-N	237.431	4.514	0	10	BJAE	
CCC(=O)[C@@H](CC)Cc1ccc(C(C)(C)C)cc1	41298242	ZHODVOIFYOXPPU-AWEZNQCLSA-N	246.394	4.532	0	10	BJAE	
Cc1ccc(N[C@H](C)c2ccsc2)cc1C	50338028	RSLRERUGPCKYSW-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
CCCCC[C@@H](NCC)c1ccccc1Cl	71085504	PZFZWTQNJKJBNG-CQSZACIVSA-N	239.790	4.571	0	10	BJAE	
CCCCC[C@H](O)C1CCC(CCC)CC1	83780329	NSILVAAVTQPBCQ-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H]1CCc2[nH]c3c(C)ccc(C)c3c2C1	87818843	AKECDSNPQDKTCU-ZDUSSCGKSA-N	241.378	4.690	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CO)c1ccccc1C	93107266	BDCHKQQWWJOUAA-HZPDHXFCSA-N	248.410	4.677	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCCCC2(C)C)c1	94275221	ODGKLSKKRXSSAO-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CCc1cccc(C)c1NC1[C@H](C)CCC[C@H]1C	109900268	QNBSLHBAXHHHDP-CHWSQXEVSA-N	245.410	4.794	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(CC)cc1	110158898	SLWSDXAGXQJUOS-HNNXBMFYSA-N	233.399	4.877	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCC(C)(C)C2)CC1	131341257	FDCGMNXSILFEDT-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1ccc(Cl)cc1	132973319	ACPDUNCYUAXGCD-CQSZACIVSA-N	240.774	4.590	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@H](C)C(C)(C)C	162694346	FAQFRYTVWGXVDU-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@H]1CCC[C@@H]1CC)c1ccccc1	163919612	WELYTCHFXWTWDY-XIRDDKMYSA-N	245.410	4.696	0	10	BJAE	
CCCC(O)(CCC)c1ccc2ccccc2c1	165427113	WVLWXGAHXFHIKX-UHFFFAOYSA-N	242.362	4.628	0	10	BJAE	
CC(C)CCC[C@@H](CNC(C)(C)C)CC(C)C	166061221	YLSJUTJXDXCLFX-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)CC1CCCCC1	203437315	DNELNAXLRIQAPK-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CC2CCCCC2)C1	203541572	BMHNXRPULPSERP-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)c2ccc(C)cc2C)C1	226983768	UIXICQGBCYGSKQ-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
CCC[C@@H](CC[C@@H]1CCC[C@@H](CC)C1)NCC	227172689	XNVGMYOTHXXXFD-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](NCCC)c1ccoc1Cl	232983393	VTEIUCICPVCUQR-GFCCVEGCSA-N	243.778	4.554	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)c1c(C)cccc1C	233271679	LCDSQYNGBSYQCH-CJNGLKHVSA-N	247.426	4.780	0	10	BJAE	
CC(C)C(F)(F)c1ccc(Cl)c(Cl)c1	259066603	XMKONZMYOCRBEB-UHFFFAOYSA-N	239.092	4.741	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@H]([C@H]1CCC[C@H](C)C1)CN2	300262431	QLRSCXGXBMAGMV-PJODQICGSA-N	243.394	4.639	0	10	BJAE	
C[C@@H](CCC1CCCCC1)C(=O)c1ccccc1	302240733	DORGJCHNFRCZQD-AWEZNQCLSA-N	244.378	4.866	0	10	BJAE	
Cc1c(C(F)F)cc(Cl)c2ccsc12	307444998	FBPLYEOGCRINCH-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@H]1CCC[C@@H](C)C1	308119090	ZUQHBOMTZVRWFW-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CCCNC[C@H](CC1(C)CCCC1)C(C)(C)C	310455207	ZACOSHRARWCAGZ-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@@H](NC(C2CCC2)C2CCC2)CC1	310656635	QAFMXQOMFFAYCG-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H](C2CCCCCC2)Nc2ccccc21	310679486	KMQVDCPUUZDZEA-DYVFJYSZSA-N	243.394	4.945	0	10	BJAE	
CC(C)c1ccc([C@H](O)CC2(C)CCCC2)cc1	311194962	FWZGWXUBUDPCJV-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCC[C@]1(CNCC(C)C)CCC[C@H](CC)C1	318001779	AKLFYJPOTANAIC-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@]1(CNCC(C)C)CC[C@H](CC)C1	318005694	IEYYSIPPTGQKRX-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1ccc2sccc2c1	319967115	HYCMAAYDRADQGC-MNOVXSKESA-N	246.375	4.766	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1ccc2ccccc2c1	320056031	LYMKBHBIFQSUKD-CHWSQXEVSA-N	240.346	4.705	0	10	BJAE	
CCCN[C@@H]([C@H](C)CCC)C(C)(C)C(C)(C)C	379943119	YFUMUSMOLXRTQT-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CCC1CCCCC1	380650953	YDAYHGLIOVMPQE-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
CCc1ccc(NC2CCC(C)(C)CC2)cc1C	380702108	XNDFNMKEAKEVAR-UHFFFAOYSA-N	245.410	4.938	0	10	BJAE	
CC(C)CC[C@H](N[C@@H](C)CC(C)(C)C)C1CC1	384486133	ILQFIJJUADPVQE-ZFWWWQNUSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](N[C@@H](C)CCC(C)(C)C)C1CCCC1	387560838	XQHIIYCOIHUWLK-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
CC1(CN[C@@H](C2CCC2)C2CC2)CCCCCC1	394620593	XMDSYPRNDYDANT-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCc1c(C(C)(C)C)[nH]c2c(Cl)cccc12	395631544	COAXDQHRALGJPH-UHFFFAOYSA-N	235.758	4.681	0	10	BJAE	
CCOc1c(C)sc2c(C(F)F)cccc12	396255684	WVGOBSURQHUXDN-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
Cc1cc2scc(S)c2cc1C(F)(F)F	396308243	RHFUUVSPRTWAPO-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@H]1C[C@H]2C=C[C@H]1CC2	402223270	UBYYMWAAPUHTAI-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)[C@H](C)C1CC1	688914172	KMFJAZHOBUSUJT-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)c2cccc(C(C)C)c2)C1	688936600	BOVOINDLZKJVCS-XOKHGSTOSA-N	245.410	4.636	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H](C)CC1CCCCC1	689717923	MOQPWMZBWHDUKT-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@H]1CC12CCCC2	691105575	QTZNASKEWFWXLB-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H](NCCC)C1CC2(CCC2)C1	691891552	YHCLZUBOCNHHNA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC2CCC3(CC2)CC3)C1	695972828	FTNQKOQYZRRHBR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1ccccc1C1CCC1	696179176	UZOVZWQZRBMBIG-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](CCC(C)(C)CC)NC	696560413	GWWPZRWFBQPCSS-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@]1(N)CCCCC12CCCC2	704509981	UEMIFRQHMWOORU-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)COc1cccc2sccc12	705079785	CLECQYZAOHKPSI-GFCCVEGCSA-N	248.391	4.962	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NCC[C@@H]2CC=CCC2)C1	706867304	GWTOGLIXNFUNFJ-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCCc1cccc([C@@H](N)[C@@H](C)CC(C)(C)C)c1	708258758	XSUCGCUPCZSCAU-BBRMVZONSA-N	247.426	4.711	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)CC1CCC(C)(C)CC1	708324541	NLOZNUNEVUCKNZ-DZGCQCFKSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](N)CC(C)(C)C(C)C	713242503	ZZPSHZVRQOCRSM-JKSUJKDBSA-N	247.426	4.580	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCCCC2(C)C)C1	719291349	KJSGUJVHEHMMSX-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1cc(OC(C)(C)C)ccc1Cl	829086511	SZFKVCBHSATRGR-UHFFFAOYSA-N	226.747	4.641	0	10	BJAE	
C1=CC2(CCCCC2)N(CCCC2CCCC2)C1	1198799940	GDMRETZTSPXVCD-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CC(C)[C@H](C)S[C@H](C)c1cc(F)ccc1F	1656320968	BXXBILFZOHXTAN-VHSXEESVSA-N	244.350	4.804	0	10	BJAE	
CCCCCCC(C)=CCCNCC(C)C	1884964036	PZQYIUQAFYUXIW-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H](C)[C@@H](C)C(C)C	1901628758	XSHKDDWFPJZHLJ-ZNMIVQPWSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](O)C1CCCCCCC1	1908556343	PKJOUOCJBAGDHI-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](N)C[C@@H]1C[C@H]1C1CCCCCC1	1910736561	RQWZOBWNUJMQIC-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCCC[C@@H](C)c1ccccc1	1911777457	BEINWSKJGUBKSU-CQSZACIVSA-N	200.325	4.703	0	10	BJAE	
C=CC=CCC[C@H]1CCCCC[C@H]1CNCCC	1911960906	QFHJGHOQJPQEFH-IRXDYDNUSA-N	249.442	4.705	0	10	BJAE	
CC(C)CCC[C@@H]1CCCCCCCC[C@@H]1O	1913404996	QTUXPMUPQZMNJR-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@](O)(CC)CC[C@@H]1CCCC1(F)F	1919538737	PSMGGDWYZQPLKE-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H](C)C(C)(C)C	1919969770	LTWHYDNBHCAMOK-HIFRSBDPSA-N	228.420	4.780	0	10	BJAE	
Cc1ccc(NC[C@@H]2C=CCCCC2)cc1Cl	1925934747	OAZLOMODBMPDFO-CYBMUJFWSA-N	249.785	4.807	0	10	BJAE	
CCC(CC)CCNc1ccc(C2(C)CC2)cc1	1926204460	BJNAHNVFPLGHLR-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
Clc1ccccc1CC[C@H]1C=CCCC1	1932606283	FLEVWORIKREWJQ-LBPRGKRZSA-N	220.743	4.629	0	10	BJAE	
CCC(C)(C)C(=O)c1cccc2sccc12	1938281133	VRHZBOUYXACSHS-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)Nc1ccccc1Cl	1939046628	MEHLNLLELALCRD-RYUDHWBXSA-N	239.790	4.823	0	10	BJAE	
CC(C)CNCC[C@@H](C)CC1(C)CCCCC1	1940407793	JOFBCHJHTBTJCP-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(O)CCCCC1(C)C	1940871667	FVZNTOSYIBFQMT-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@]1(CNC(C)C)CC=CC[C@H]1C	1940944228	NQUNKWMYODFJGP-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@]1(N)CCCCCC1CC1	1941592231	RWPSKQKJFSDHIB-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)C(C)(C)C1CCCC1	1944621615	FTVDMULISNVHHI-DZGCQCFKSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CCCC(C)(C)CC1	1944846119	MQFHBFOTMSSMIY-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@H]1CCC(C)(C)C1	1945590514	FRNIYPLDWBJFOO-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(CN)(C[C@H](C)CC(C)(C)C)C1	1948411451	QJXHHHUOFUYQQV-IUDNXUCKSA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CCC1=CCCCC1	1949051541	OXQKZNRNZJNOIY-HZPDHXFCSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H]1CCC(C)(C)C(=O)C1	1949656893	UWKUHQGSYCWTOQ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@H]1CCC(C)(C)C(=O)C1)CC(C)(C)C	1949661707	YTHUGZATWFINQQ-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@@H]1CCC[C@@H](C)CC1	1950910606	ICAQDYRAOWOPQG-BMFZPTHFSA-N	238.415	4.700	0	10	BJAE	
CC=CC[C@H](C)c1ccc(OC)c(C(C)C)c1	1951308156	AQAGPBYEFCTXAS-ZDUSSCGKSA-N	232.367	4.888	0	10	BJAE	
CCC=CC[C@@H](C)c1cc(C)c(OC)cc1C	1951309049	TXJFSBNIINYXQG-GFCCVEGCSA-N	232.367	4.772	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc(-c2cccc(Cl)c2)n1	1968396975	SOYIHHPBTNGWQY-KCJUWKMLSA-N	249.766	4.587	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H](C)c2ccccc2)C1	1969249935	KJJAYLHUHVCKSX-DJIMGWMZSA-N	245.410	4.552	0	10	BJAE	
CCCC(C)(C)[C@H](O)CCCCCC1CC1	1976003374	LVPTULRGENOWPI-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C(=O)c1csc(C(F)F)c1)C(C)C	1978577977	MSQMRIGCECVPMT-SECBINFHSA-N	246.322	4.551	0	10	BJAE	
C[C@H](C(=O)c1csc(C(F)F)c1)C(C)(C)C	1978581746	CDMIYQYQZPLNHW-SSDOTTSWSA-N	246.322	4.551	0	10	BJAE	
CCC(CC)CCC(=O)c1ccc(Cl)cc1	1980685676	UHRRZRDBNAHJRT-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CCCCCCC1(O)CCC(C)(CC)CC1	1981066281	SVKJIFZSCAOFKD-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CC=CCCC[C@H](NC)C(CC)(CC)CC	1984635402	OYYABZKAZAZYMO-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCN(CCCCCC(C)C)CC(C)(C)C	1990845826	MFPSEPUNXOIOII-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2(C)CCCCCC2)C1	1995826856	OFGSRCJJTDLFEC-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CC[C@H](C)C[C@]1(O)CCCC2(CCCCC2)C1	1996645415	JKIHMRGJWPXMKN-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)[C@H](C[C@H]1CCC=CCCC1)NC	1999994921	ZQLXSUHLUBGJQL-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@@H](C[C@@H]1CC=CCC1)NC	2000321948	RYPPDHVQPBBYBZ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@@H]1C=CCC1	2000506167	YTKHFRGZHBBHIK-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC)CC[C@H]1CC12CCCCC2	2001219913	RFVQYWQAFJJNGF-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@H](CC)CC(C)C	2002516788	UDEBELPXWNQVOI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)C1(C)CCCCCC1	2002518753	FXZHDAGQMACAKH-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC([C@@](C)(O)CC(CC)CC)CC1	2002923894	HZAKJQMHROASCB-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CN(C)[C@H](C)[C@@H]1CCC[C@@H](C)C1	2002977317	WYHPJALFOGWHQU-IIAWOOMASA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(O)C[C@@H](C)C(C)(C)C)C1	2003015369	DIEQQVJFSZZAAF-NYTXWWLZSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](N)C2CCC2)CC1	2003067965	ZGVZMXKYIYMGJA-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC1CCC2(CC1)CC2	2003222089	UKZBKRXFEDJQMK-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCC(O)(CCC=C(C)C)CC1	2004340346	ZLQDQKQFGSURBY-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@H](CC(C)(C)CC)C1	2006622048	COSOVMRJJODZHE-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CC(=O)C[C@H](CC)C2)C1	2006673657	MWYCKBYYJXGZSU-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc([C@H](N)C=C2CCCCC2)c1Cl	2007937974	SQYVWMPITFGJGY-CQSZACIVSA-N	249.785	4.539	0	10	BJAE	
CCC1(CC)CC(N)(C2=CCCCCCC2)C1	2009306408	LSOUTMPNKSIBGP-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCC[C@H](CCC)CC1	2009572756	OJNSYTXVAOCCHO-KADIJHKTSA-N	237.431	4.811	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCCC[C@H]1CNCC	2009610317	FZHGUHXOYBXHRD-CFSAUIFESA-N	237.431	4.539	0	10	BJAE	
CCCCCC1CC(N)(CCC(C)=C(C)C)C1	2009792267	WWFOSPIVPWQKRE-UHFFFAOYSA-N	237.431	4.811	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C1=CCC(C)(C)CC1	2010750578	WAOFBAJONQKNGX-CQSZACIVSA-N	237.431	4.667	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C(C)(C)C1CCCC1	2011569787	KIHJFERLLHNYOQ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@](CC)(CNCCC)C(C)C	2012406748	ABWSHIAWCFRAJT-FSNWXROXSA-N	239.447	4.785	0	10	BJAE	
CCNC[C@@](CC)(CC(C)(C)C(C)C)C(C)C	2012422797	ZRCSOXPNLOIYGR-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@@H]1CC(C)C	2013271022	NUVMGWWLJLGJOV-BZUAXINKSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1cc(C)c(C)o1	2015324075	XJBDLKFAJILPNW-ZIAGYGMSSA-N	237.387	4.503	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CCCCC[C@H]2N)CCC1	2017146114	PNPNGTBTHNNAGH-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C)[C@@H](CC)NC)CC1	2017720881	ISXCLUZDCLCPND-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC[C@H](C)N2)CC1	2017735513	FYSATZDPVDZOMN-VGWMRTNUSA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@](CC)(CC1(CC)CC1)C(C)C	2018984106	DCRCUWAXCNFWFJ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@H](CC)CC(C)C)CC1	2018997173	XOOOMFWXHFDYTP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@]2(N)C[C@H](C)CC(C)(C)C2)CC1	2019003486	YOXAAEUHWHEYKW-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](N)CCC2CCCCC2)CC1	2019005134	BAOQPVLHVGCNMW-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCNCC(CC)(CC)[C@H]1C=CCCCC1	2019502825	JHJHMBHNUQMBKL-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCCN(C1CCCC1)C1CCC(C)CC1	2020537374	MDFSWQHMLBULDB-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)C1(O)CCC2(CCCCC2)CC1	2020974788	ULBPCLSBBAGITK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@](N)(CC)C1CCCCC1	2022560675	QLUZKWIIUUSLSR-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@](CN)(C[C@H]1CCCC(C)(C)C1)C(C)C	2024089175	NJEAZKNPEYTPSR-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1ccc(C)cc1	2026148792	XGHFEJVNFGNKDB-XJKSGUPXSA-N	234.383	4.635	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C=C1CCCC1)NC	2026170605	QWCOOPMFBNKITE-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1C[C@H]2CCC[C@H]1C2	2026244065	QHCRLOCSAJBMHJ-VGWMRTNUSA-N	237.431	4.514	0	10	BJAE	
CC1(C[C@@]2(N)CCCC[C@@H]2C2CC2)CCCCC1	2027308894	KHMXHLMMMMUCNC-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
CCCc1ccccc1[C@@H](CC(CC)CC)NC	2027903355	LGKUAVJDVWRQDS-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)C(C)(C)C2CC2)cc1	2028099076	HQLZOBCHURREQM-MLGOLLRUSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)C1(C2CC2)CC1	2028100669	BUQZXUVRRQXSJA-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](c1nc2c([nH]1)[C@@H](C)CCC2)C(C)C	2028266439	VPORLBKZVRPHDC-QWHCGFSZSA-N	248.414	4.635	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccccc1C1(C)CC1	2028549811	PYPMOIBYJPLVGU-XJKSGUPXSA-N	246.394	4.598	0	10	BJAE	
CC1(C(=O)c2ccc(C3(C)CC3)cc2)CCCC1	2028589961	FJXNFJVMONLAPV-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1ccc(C2CC2)cc1	2028598220	OMQPGZLRJVRXAG-DLBZAZTESA-N	246.394	4.670	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1ccccc1C1CCC1	2029079559	XYBFHUAHFKSTNJ-AHIWAGSCSA-N	246.394	4.670	0	10	BJAE	
CCc1ccc([C@@](C)(O)[C@H](C)CCC(C)C)cc1	2029838148	RHZJUIQCZQKHIW-PBHICJAKSA-N	248.410	4.529	0	10	BJAE	
C[C@@H]1CC(C(=O)CC2CCC=CCC2)C[C@@H](C)C1	2030232709	BSZFGNWGMPWCEH-KBPBESRZSA-N	248.410	4.764	0	10	BJAE	
CCCC1(CN[C@H]2CC(C)(C)CC3(CC3)C2)CC1	2030288458	OLXQQKKNIMYOTE-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN[C@@]23CCCC[C@H]2CCC3)CCC1	2031805565	RNEPXFAJRYJIAO-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CC[C@@](N)(CCC(C)=C(C)C)c1cccc(F)c1	2037171765	NSPGZAWCFSLTGB-MRXNPFEDSA-N	249.373	4.526	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)CC2(C)CCCCC2)C1	2037198563	HFJRKHPNVRGKGX-BPUTZDHNSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@H]1CCCN1[C@@H]1CCC2(CCCC2)C1	2037672905	QUWZEZOKLSBYMK-JKSUJKDBSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1C[C@@H]2CCC[C@@H]2C1	2038620997	CQYSCCIEZBSQKN-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CCC2=CCCCC2)CC1	2039372337	CDVNRBNBMRGNAR-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CN(CCCC1(C)CC1)[C@@H]1CCCC2(CCC2)C1	2041293390	OXDYEPANYSQVDE-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@]2(C)CC=CCC2)CC1	2042071755	JMYBZHBIBRYOIO-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC=CCCC2)C1	2045309758	JKAARFHFNJTNPB-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C[C@H]2CCC=CCCC2)C1	2045314050	GEUXFQRGMPZFQG-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)C[C@H]1CCC=CCCC1	2045314796	NNAGDKCFIKUTKB-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CCCC1([C@@H](NCC)c2ccc(C)cc2)CCC1	2045799807	PEEXDFLPUIBABC-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCc1cccc(CC)c1NCC1(F)CCCC1	2047239548	YRFCAFPSIKQYNM-UHFFFAOYSA-N	249.373	4.506	0	10	BJAE	
c1ccc(NC[C@@H]2C[C@H]3CCCCCC[C@H]32)cc1	2047410415	RWVAAPWYCBYKMQ-HLLBOEOZSA-N	243.394	4.705	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)C[C@H]1CCCC2(CC2)C1	2049857117	PNPGYXRCSSZJSC-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCC2(CC1)CC2)CC1CCCC1	2049951553	PMORVAPABGRJBA-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H]1C)[C@]1(C)C=CCCC1	2050003211	NMGJOTSXXFBRQJ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)[C@]1(C)C=CCC1	2050006344	MLGHKUJHOURODR-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@H](O)c2cccc(C)c2)CC1	2050425865	KOVLEXGYZJFADN-DQPZFDDXSA-N	246.394	4.635	0	10	BJAE	
Cc1cccc([C@@H](O)CCCC2CCCCC2)c1	2050429303	XSSJXKGMGGNFKU-KRWDZBQOSA-N	246.394	4.779	0	10	BJAE	
CN[C@H](CC[C@H](C)C(C)(C)C)c1ccccc1C	2050457594	DUSCVLMWAFHBBK-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
O=C(CCC1CCC=CCC1)c1ccccc1F	2050495588	VOXLNOYMNNVMNK-UHFFFAOYSA-N	246.325	4.535	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCCC[C@]2(C)C1)C1(C)CCC1	2052345917	SQVRJBUMWBGTMY-KLZNWCGWSA-N	249.442	4.514	0	10	BJAE	
CC1([C@H](N)[C@H]2[C@H]3CCCC[C@H]32)CCCCCCC1	2052477622	GWXWANQDYYFTFF-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1CCCC1)[C@H]1CCCCC12CCC2	2053411951	MBAQSCFCDHNFRI-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC)C[C@H](CC2CC=CC2)C1	2055030236	JMZFYFKGOHSIMT-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC=C(C)[C@@H](NCCC)c1cc(C)c(C)cc1C	2056778144	WWOBPZKTIAAZKD-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
C/C=C/CCC[C@@H](NC)c1ccccc1CCC	2059249034	DLDRWHBBDPRMSW-UKINESCASA-N	245.410	4.646	0	10	BJAE	
C/C=C/CCC[C@H](N)c1ccccc1CC(C)C	2059254244	YAMYFPNMPIBKSD-BDUNBXCCSA-N	245.410	4.631	0	10	BJAE	
CCCCCC1CC(N[C@@H]2C[C@@H]3CCCC[C@H]32)C1	2059390226	LSOUTGBMPPZXGG-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
CCCCCC1CC(NC2CC[C@@H]3C[C@H]3CC2)C1	2059395242	IHYMXORESHFYTO-GYMHETDLSA-N	249.442	4.514	0	10	BJAE	
C=C=CC[C@@H](NCCC)c1cccc(C(C)C)c1	2059438570	NRPDVSGRDWSTPN-QGZVFWFLSA-N	243.394	4.582	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)C[C@@]1(N)C1=CC[C@@H](C)CC1	2060913001	IMATXBYOQZQZOR-YQFWSFKMSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C)CC1)C1(C(C)C)CCC1	2060925715	MOGZILKRTFHGHS-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C(C2(N)CCCCCCC2)CC1	2061121792	JOSJNGYNEBCLDN-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
C1CCCC(CNC2CC(=C3CCC3)C2)CCC1	2061258167	LKHOMEBYJYZNLJ-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C=C=CCC[C@]1(CNC(C)(C)C)CC[C@H](CC)C1	2061565911	HPNAAFCTEZTYLZ-RDJZCZTQSA-N	249.442	4.692	0	10	BJAE	
CN[C@H](CCC[C@@]12CCC[C@H]1C2)CC1CCCC1	2061618655	WEAWZKZFOQPAFN-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC1C[C@H]2CCC[C@@H]2C1	2063489410	YNAQYPKHFGARAO-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC[C@@H]1CCCC12CCC2)C1(C)CCCC1	2067520748	OYGNDAYLUDKRFU-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H](C)C1CC2(CCC2)C1)C1(C)CCCC1	2067529490	HWSNJEZKXOZOQU-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc([C@H](N)CC(C(C)C)C(C)C)c1C	2068816688	BXWGPIKXIVERPU-QGZVFWFLSA-N	247.426	4.622	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)c1cc(C)c(C)o1	2068907873	ARJCLVRURHMZRR-ZKKXHLJNSA-N	249.398	4.684	0	10	BJAE	
CCCC1(C[C@@H]2C[C@H]3CCCC[C@@H]3C2=O)CCC1	2069281200	UESKHFUOOSCJRN-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@H]2CC23CCCCC3)CC1	2069519213	JNSZEHVSKKANTI-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2070998011	DQHGJAPJWSKIJV-NMSBFTQNSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(CC2C[C@@H]3CCC[C@H](C2)N3)CCC1	2071945412	GGOWCTYRFOOXRT-GOOCMWNKSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N1CCC[C@H]1C1CCCCCC1	2071968702	JKBVBCYMGKMRQL-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(N)CCCC[C@@H]2C2CC2)CC1	2072797293	XYDSXQMDQMYUDM-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC[C@H](C)CC1)c1ccco1	2072798347	IQTCHAJVVASBFH-KKUMJFAQSA-N	249.398	4.537	0	10	BJAE	
Cc1ccc2c(ccn2C[C@]23CCCC[C@@H]2C3)c1	2074089852	GKUSWANOEDEACS-NVXWUHKLSA-N	239.362	4.530	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@]12CCCC[C@H]1C2	2074092378	XAZWMSCCRYQMTN-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]1C1CCC1	2079345480	MYGUJEHLNUOGPP-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2C[C@@H]2C2CCCCC2)CCC1	2079426565	BTOMWMBDUARNJZ-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]1C1CCCCCC1)C1CCCC1	2079531425	TZOBQPDPWOWIAH-RRQGHBQHSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H]1C[C@@H](C)Nc2ccccc21	2079669059	DYRVOEUTYRYJKW-TUVASFSCSA-N	243.394	4.801	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C[C@@H]1C1CCCCC1)C1CC1	2079830670	DLQSKXYKLWNYAV-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@H]2C2CCCC2)CCCCC1	2079841536	JLFCKSNNDRWUMW-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CCc1ccccc1[C@@H](C)Nc1cccc(C)c1	2081205312	BOJGQQSCAMTDTF-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1C=CCCCC1	2081774518	IXWGKGXYHXAWFL-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
CCCN[C@H](CC(C)C)c1cc(C)cc(C)c1C	2082917681	AMUYSOUBESGWLK-QGZVFWFLSA-N	247.426	4.699	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C23CCC(CC2)C3)C1	2082980987	ZSIDUOWCWFMTBR-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](CC2(N)CC(C3CCC3)C2)C1	2082984482	BHERKTYKYMXJDK-BZOOQXSSSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](NCC)C1C2(CCC2)C12CCC2	2083551834	CYNPAWPRFHZPMT-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1CC(C)(C(=O)c2cccc(C(C)(C)C)c2)C1	2083553280	AFUGQTWQUDSRBX-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
C(=Cc1ccccc1)C[C@H]1[C@H]2CCCC[C@@H]12	2210668793	VZPLZVCXYDXKBZ-MUJYYYPQSA-N	212.336	4.526	0	10	BJAE	
CCCCC[C@@H](CN[C@@H](C)CC)C(C)(C)C	2212576963	REDQWSSWUYTANR-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CCCCC2CC2)C1	2214580990	JRKQQRANHDIDMZ-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@H]1CC[C@H]1C	2215103202	YJFRYNZEBMBDRW-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)C1(C)CCCCCCC1	2215323660	FXHZOMVVCYZIHF-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@H]1CCCCC1(C)C	2215331348	KGBWELCQZBGDCR-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](N)CCCCCCCC1CC1	2216877760	PQWRHQMPDGPHCT-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CCCC(C)(F)F)CN[C@@H](C)CC	2217150613	ZPCAMZDKOWLDOT-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCN[C@@H](CC)c1cccc(CCC(C)(C)C)c1	2218534417	NMZMSCFDNJOCDC-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
Cc1coc(C)c1[C@H](N)CCCCCCC1CC1	2218718585	PEJSYMYBWULHIE-OAHLLOKOSA-N	249.398	4.647	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC=Cc1ccccc1	2219082875	AFYGEQLJUWKPLO-IRXDYDNUSA-N	245.410	4.634	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)C/C=C/c1ccccc1	2219088295	PNDFBQGYTBOJSP-PZJZIFHPSA-N	245.410	4.634	0	10	BJAE	
NC1(CCCCC2CC2)CC2(CCCCCC2)C1	2220045098	MDDWJQFMDSMJTO-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
Cc1cccc([C@H](O)CCC2(C)CC(C)(C)C2)c1	2221021956	BQDPPCPBKVTTGE-OAHLLOKOSA-N	246.394	4.635	0	10	BJAE	
C[C@@H](N[C@@H]1CCC[C@H](C(C)(C)C)C1)c1ccoc1	2222269526	SAWRZQFDUMKVBL-VHDGCEQUSA-N	249.398	4.535	0	10	BJAE	
O=C1CCCC[C@@H]1C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222913314	FELVPIBJTZRBCV-FXUDXRNXSA-N	248.410	4.742	0	10	BJAE	
N[C@@H]1CCC[C@H](C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2222933906	POABGWREDHOIDG-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H](N)C(C)C	2222947517	AQBYPHDTKBXRHD-NXOAAHMSSA-N	249.442	4.523	0	10	BJAE	
CCCNc1cc2ccccc2c([C@H](C)CC)n1	2223382341	CWWOEENDEWORHQ-GFCCVEGCSA-N	242.366	4.570	0	10	BJAE	
CCCCC[C@H](O)CC[C@H]1CCC[C@@H](C)C1	2242812408	JWSQRJYCZIPULX-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCC[C@](O)(CC)CCCCC[C@H]1C[C@H]1C	2243921319	JCKZLBKJGSYEBT-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(O)C(C)C	2244851001	IWXWDODCTNDDDW-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CCNCC(C)(C)CCC[C@@H]1CCC[C@@H](C)C1	2246666961	WXEKTMILBFUDAM-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNC1CCCCCCC1	2247124607	SRLLYGJGIKVYCT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](O)(CCCC[C@@H]1C[C@H]1C)C1CCC1	2247128095	JTGPTINKQXOGIU-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC1CC(C(=O)CCCC[C@@H]2C[C@H]2C)C1	2247174570	WORMWQGXHWAZAS-FEWQNLEASA-N	236.399	4.598	0	10	BJAE	
Cc1cscc1-c1cc(C=O)cc(C(C)C)c1	2247251175	VDDYKXXCRVYNJN-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2CCC2(C)C)CC1	2247430559	FXJVVSVIFNOHLR-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)c1csc(C2CC2)c1	2248073340	CSCKDCCXVXIGRO-ZWNOBZJWSA-N	248.391	4.635	0	10	BJAE	
CC[C@H](C)C[C@H](CCCCC[C@H]1C[C@@H]1C)NC	2248818680	DLLNQNFSAIOGOQ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCCC1CCC1)NCC	2250362866	XGUVXXRUXVGWBR-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H]1C)[C@@H](CC)CCC	2250367227	OQQZCKXZWMDSCO-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCCN[C@@H]1C	2250515125	VWVDAZRTJUYCAZ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)CCC2CCC2)C1	2251537429	WMJVYSFZCLPGFT-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)C[C@H]2CCCCC23CC3)C1	2253829950	ATOJJUURPJVTBG-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)C1	2253913806	GUYGNOCMALUFKP-OWVAZHOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@H]2CC23CCCC3)C1	2253925973	WQQNWWNFVJNVPY-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@]23CCCC[C@@H]2C3)C1	2253938405	LKVMABQXTNXVRV-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CC(C)C1(C(=O)CC2CC3(CCCC3)C2)CCC1	2254105309	FCYYIGRWLHTGII-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C(=O)CCCCC[C@@H]2C[C@H]2C)c1	2254516397	JURPGWIJSLNBSA-HUUCEWRRSA-N	244.378	4.784	0	10	BJAE	
Cc1ccc([C@H](O)CCCC[C@H]2C[C@H]2C)cc1C	2254583993	KZHRYANENFMSBN-HLLBOEOZSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CCCC2)CCC12CCC2	2254844963	AYQBHOVMDYKKTD-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@H]2CCC23CCC3)CC1	2255015187	RLUDUYBXYJNWPB-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1=CCCCC1)[C@H]1CCCCC12CCC2	2255134222	TXHLZHIEUONFGE-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@]1(C)C=CCCC1	2255141744	QNELLGVYPWIFHQ-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCCC12CC2)C1CCCC1	2255328729	HABBKIBNAQDPGF-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc([C@H](N)CCC(C)(C)CC)cc1	2256297603	XDIDCKZIEXZDRH-MRXNPFEDSA-N	247.426	4.855	0	10	BJAE	
CC(=CCCCC[C@@H]1C[C@H]1C)C[C@@H]1CCCCN1	2257238596	DIPROYOGVHDJGZ-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC[C@@H]1C=CCCCC1	2257310497	GZJONXZJJHBPSN-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H]1CCCNC12CCC2	2257361895	OTHOEUWYGQLWBQ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1NCC1CC2(CC(C)C2)C1	2259558006	FWRXWFYUXZCICZ-UHFFFAOYSA-N	243.394	4.542	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@]12CCC[C@H]1CC2	2260516379	MMLNIFMOTRNPLV-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CC1(C(=O)C[C@]23CCCC[C@@H]2CC3)CCCCC1	2260580969	YDVXMDMIALMSTL-RHSMWYFYSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)Nc1ccnc(C(C)(C)C)c1	2260747605	ZPZBROQARAPWTA-CHWSQXEVSA-N	248.414	4.616	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H]1CCC[C@@H](CC)C1	2300685678	HVDFIPNIOFBMQS-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CCC1(CO)CC2(CCCC2)C1	2300686320	PDDQVDISQASXOW-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCC[C@@H](C2CC2)C1	2300691867	ZEYRMGLUNWJEKA-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H]1CC[C@@H]1CNC(C)(C)C	2300702252	WNPMXPKPHPQRIB-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@@H]1CN)CCCC(C)C	2300884217	POINZSMSNAPUKL-JKSUJKDBSA-N	237.431	4.524	0	10	BJAE	
CC[C@H](C)[C@@H](N)CCC=C(C)CCCC(C)C	2300919331	VDZJMFLGJQLMMI-HOTGVXAUSA-N	239.447	4.913	0	10	BJAE	
CCc1ncsc1-c1ccc(C2CCC2)cc1	2301773596	NEYGQWPNVRLUSR-UHFFFAOYSA-N	243.375	4.640	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H](C)[C@H](C)C(C)C	2301845733	ZUXYPFQFBQHLKA-BZUAXINKSA-N	239.447	4.639	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)CC1CCC(C)(C)CC1	2301902965	PVCXOXBPKQZNSW-XJKSGUPXSA-N	240.431	4.636	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@@H](C)[C@@H](C)C(C)C	2301951703	CAGONINJAQCECR-OFQRWUPVSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)C[C@@H]1CCC(C)(C)C1	2302752399	DARSUUNZJASACH-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)C2CCCCC2)C1	2302764203	VEASZZOJVRFLAD-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H]1CC[C@H]1C(C)(C)C	2303410497	MZONWHUYJJLZOY-BFHYXJOUSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC[C@@H](C(C)C)C1	2307822066	GWEZYYSGKRYIOH-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H]1CCCC12CCC2	2307822495	IIFLDZMNPUBBSS-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C)[C@@H](C)CNC(C)(C)C	2307826830	RAWNGLSZVDNDDE-ILXRZTDVSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1C)C1=CCCCCCC1	2311274878	RWPBNRSXLCCFQM-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC[C@@]12CCCC[C@@H]1CC2	2313338776	XYJANWLSJAJUDD-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CCC(=O)c1ccc2ccccc2c1	2316532627	QXPDTATUTNKFHW-UHFFFAOYSA-N	238.330	4.769	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@]12CCCC[C@@H]1C2	2316536360	MINUWQZNRKLJSR-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
C[C@](N)(CC1CCCCCC1)C1CC2(CCC2)C1	2316876927	ZLCYJRIBNABJHP-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)[C@@H](C)C(C)C)c(C)c1	2317629326	HDJYXOFDIPXXMJ-XHSDSOJGSA-N	247.426	4.635	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@]12CCCC[C@H]1C2	2318875360	WUGCLRBIPVGVRO-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)CC[C@H]1CCCC12CC2	2318931838	FELQCHQUWBRPMU-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@@H]2CCC(C)(C)C2)cc1C	2319023833	ISURSYVOEXKARP-HOCLYGCPSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CC[C@@H](Cn2ccc3ccc(F)cc32)C1	2319140766	KGSRZODOVBCNLJ-GFCCVEGCSA-N	245.341	4.607	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(N)C=CCCC1(C)C	2320240022	JHSJEOSYKSKOOS-VBQJREDUSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)C[C@@]12CCC[C@H]1C2	2320314967	ZGFYOQXXSCUGGA-CXUGXGMPSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)CC2CCCCC2)CC1	2320388304	OREBTVACRIPFDB-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@]23CCCC[C@H]2C3)C1	2321619852	PPNHSCWMGJQYQE-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CNCC)c1ccccc1	2328198072	YXNOFUBOTLLDCG-WBVHZDCISA-N	247.426	4.596	0	10	BJAE	
CCC[C@@H](CC)C[C@@](O)(CC)c1cccc(C)c1	2328211524	ZUWRUKICJXSFNK-WBVHZDCISA-N	248.410	4.809	0	10	BJAE	
CCCCCN(CCCCC)c1ccccc1	5138889	QCJCLGRWDXKDHC-UHFFFAOYSA-N	233.399	4.873	0	10	BJAE	
CCCCCc1nc2ccccc2n1CCCC	5547685	SWPUWDBRAJRUOL-UHFFFAOYSA-N	244.382	4.569	0	10	BJAE	
Clc1ccc2c(c1)C[C@@H](C1CCCCC1)CN2	11987830	SWAOEZPQZQUGHY-CYBMUJFWSA-N	249.785	4.505	0	10	BJAE	
CCCCCCNCc1ccc(C(C)(C)C)cc1	20559745	XFCXWRFKMWILGP-UHFFFAOYSA-N	247.426	4.654	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@@H](C)CCC(C)C	20566224	WPSZBVYMJPTQTQ-QLFBSQMISA-N	227.436	4.616	0	10	BJAE	
c1ccc2cc(NC3CCCCCC3)ccc2c1	36951895	BIPDRVKMFKVLKK-UHFFFAOYSA-N	239.362	4.975	0	10	BJAE	
CC[C@@H](C)c1ccc(NC2CCSCC2)cc1	36953734	KLNUHQCMOKBTNU-GFCCVEGCSA-N	249.423	4.508	0	10	BJAE	
CCCCN[C@@H](CC(C)(C)C)c1ccccc1	37128629	USGKRRFJJNSQRL-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
Cc1cccc([C@H](C)NCCC2=CCCCC2)c1	37216809	QTAJTLBABRMBKC-HNNXBMFYSA-N	243.394	4.536	0	10	BJAE	
CC(C)CCC(=O)c1ccc(Cl)cc1Cl	40930051	FOWBTKKYGIZZJM-UHFFFAOYSA-N	245.149	4.612	0	10	BJAE	
CCCC[C@H](CC)Nc1cccc(F)c1C	68987231	VVAHSJQCVSITDE-LBPRGKRZSA-N	223.335	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1c(C)cc(C)cc1C	71161086	WOVKHGRBFQJAGI-HZPDHXFCSA-N	245.410	4.993	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CCC(C)(C)CC2)C1	79675609	ZMNBGDFFVMQFHI-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCC1CCC(C)CC1)C(C)(C)C	85082999	CPEWSSAPNFMRHM-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)[C@H](C)C(C)C)cc1	90482325	JPIADUIEMUUNJZ-CYBMUJFWSA-N	246.394	4.849	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](N)C2(C)CCCC2)cc1	94899646	RTQZSSCSUALFQD-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CCCCCCC(=O)c1c[nH]c2cc(C)ccc12	97467728	IEZVGIZPTVWSID-UHFFFAOYSA-N	243.350	4.629	0	10	BJAE	
CC[C@@H](N[C@H](C)C1CCCC1)C1CCCCC1	103982433	VMAFOOAKVMBDEP-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2csc(N)c2)cc1	104584647	CEWOUOMGUJZLCR-SNVBAGLBSA-N	231.364	4.511	0	10	BJAE	
CC/C=C\[C@H](C)Cc1ccc(SCC)cc1	107604578	RADMYWVYHNARKS-FWWRYZNZSA-N	234.408	4.943	0	10	BJAE	
CCCC[C@H](NC[C@H](C)CC)c1ccccc1	109955028	OQCFGQPWLKJSKH-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CCCCC[C@H](O)c1ccc(C2CCC2)cc1	132880264	SSXSAGHMKANPJN-INIZCTEOSA-N	232.367	4.568	0	10	BJAE	
CCCN[C@H](C1CCCCCCC1)[C@H](C)CC	159114044	ZHOXCNBABCFXKY-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1cccc2c(C(C)C)c(CN)oc12	161377493	QLRUYJSXEPWNQM-NSHDSACASA-N	245.366	4.528	0	10	BJAE	
CC(C)CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O	166020743	XDHNYMZGRJSEFU-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)[C@H](NC)C1=CCCCCC1	211727463	RFZPJLYWVNURHR-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](NCC)[C@@H](C)c1ccc(C(C)C)cc1	212841622	ODGHGCKKILQUPO-WMLDXEAASA-N	247.426	4.692	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@@H]2C(C)C)cc1F	214408722	WJICMANSLAZQRT-ZBFHGGJFSA-N	249.373	4.761	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(Cl)cc1	221642920	TWTLMHFWFFFFCR-SUNKGSAMSA-N	237.774	4.577	0	10	BJAE	
CCCN[C@@H](c1ccco1)[C@H]1CCCCC1(C)C	226563093	ANPBVTCNSZSFPP-UKRRQHHQSA-N	249.398	4.537	0	10	BJAE	
CCCC[C@@](CC)(CNCC)[C@H](C)CCC	232989367	PYKBTTKBRWXDGG-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)c1ccco1	233157949	SFNKXCOEMAOLJJ-MRXNPFEDSA-N	247.382	4.601	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)C[C@@H]2C)c(C)c1	235546114	SLHSOBNAPTZVRM-ZFWWWQNUSA-N	231.383	4.540	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2c(C)cccc2F)C1	235713302	BFLNKKOMIHYXLI-BXUZGUMPSA-N	247.357	4.538	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)CCC(C)(C)C	235796964	UKHXUGPJDNUXDD-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CCC[C@H]2C)cc1	251308983	DFVQCFGAJIUVBP-WOSRLPQWSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC[C@H]1NCC	251372479	QSHWGFGVZJVTHI-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](C)C2)CC1	251908263	XMLGUOQUPPOWMJ-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](C3CC3)C2)C1	251920722	YLXVLSFXRVTEDZ-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CSc1cccc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	252173188	RNMIIFBKQRNXFT-IMRBUKKESA-N	249.423	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)C2(C)CCCCC2)C1	300245255	PSXQACTVCXEQCQ-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1CCCC1(C)C	300900534	QUFNSZDREJOHBA-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](C[C@H](N)CCC1CCCC1)CC(C)(C)C	302249630	KFJZCRFNFWMMJU-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc(N[C@@H](C)CCC(C)(C)C)c1F	305965723	AVNSCIFQDQHHSM-LBPRGKRZSA-N	237.362	4.761	0	10	BJAE	
Cc1c(Cl)sc2ccc(Cl)cc12	306876532	CVDFWSYZZQRQKN-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
Cc1c(Cl)c(Cl)cc2sccc12	307397883	XCIQTHGPWQBUAJ-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)C1CCCCC1	311041516	GOXPDQDRPKRAQP-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC2CC2)(CC2CCC2)C1	317563862	CPRQYITWJJUOMF-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1ccccc1C(C)(C)C	319533462	MPWCWAFDMLCVCB-XEZPLFJOSA-N	248.410	4.700	0	10	BJAE	
CC[C@@H](Nc1cccc(C(C)C)c1)C1CCC1	322309643	XVORJZFUKGEJJY-MRXNPFEDSA-N	231.383	4.801	0	10	BJAE	
CCN[C@H](C)C[C@H](C)CC/C=C\c1ccccc1	324150748	OLNHQEDTODVDDH-WTEYMAAXSA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](CC/C=C\c1ccccc1)[C@@H](C)CC	324246597	HMJQJAGFFMYFLF-DZKOEADISA-N	245.410	4.504	0	10	BJAE	
CC[C@H](CNC(C)C)CC1CCC(C)(C)CC1	379815106	QMFVEHBVOQVJEV-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CNCC(C)C)CC1(C)CCCC1	379902987	IBWOLBXMPWLBAI-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCCCC(=O)CC(C)C	383094693	ABWGMQOTSFRAMF-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)CC2=CCCCC2)C1	383463595	JVELEDQYXNUOHP-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCCC1=CCCCC1	384124748	HXHJUBQUJKGDFE-CQSZACIVSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@@H]1C=CCCCCC1	385399467	LLEWBNWKOXJAOQ-IXDOHACOSA-N	249.442	4.680	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2cccc3ccsc23)C1	386219719	JMVYDTOUFDBPBU-AAEUAGOBSA-N	245.391	4.892	0	10	BJAE	
CCCC(CCC)[C@@H](O)CCC1=CCCCC1	386231008	GUFLXXZOZZBTKK-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
c1cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c2sccc2c1	386269250	YSPYWSJROCMCQP-FRRDWIJNSA-N	243.375	4.502	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC[C@H]1CC)C1CCCC1	387494102	DPBDANNJGVTEHF-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](NC[C@@H]1C[C@H]1CC)c1ccccc1	387772531	CALNCCVGBGFXAX-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)CCC1=CCCCC1	388209661	OCBVPDGKCXZSBI-LSDHHAIUSA-N	234.383	4.518	0	10	BJAE	
CCc1cccc([C@@H](NC)C(C)(C)C(C)(C)C)c1	394085519	VQNBABZZNPFRRH-OAHLLOKOSA-N	247.426	4.582	0	10	BJAE	
CC1CCC(Cn2ccc3cc(F)ccc32)CC1	394128982	COPDJUOEMLOROF-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
CCOc1cc(CC)cc2c(Cl)csc12	396191768	PXMOBXRSBDOMPO-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@H](C)CCC2CC2)c1	398045388	SQWUEUOJPUAQFK-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
CC(C)C1CCC(CN[C@@]2(C)CC=CCC2)CC1	398361619	MHGDCGOJBJZJAO-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C1(CC)CCCC1	401056753	ZEVMINMIMAGBTO-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)CC1(C)CC1	401333536	FASIZLRHRFIZGT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC(C)(C)C1CC1	405884586	MFRSARUZVPAYRP-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1CCC(C(=O)CCC(C)(C)C2CC2)CC1	405894655	QDTYCRQVAYSNAK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@H](C)CC(C)(C)C	575358177	FWTSBHHXUPDVDV-LBPRGKRZSA-N	246.394	4.949	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](CN)C1CCCCCC1	688456823	XHOVCGQHXDBSKM-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@](N)(CC)C1CCC(CC)CC1	690440155	JXBLCWOFMAYXDI-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CCC1CCC(N)(C[C@H]2CC3CCC2CC3)CC1	691726713	GRPYPRSLFCUWHO-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@H](CCC(C)(C)CC)C1	696800176	SXZBBOFTYCMWND-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCCNCCCCCCC(C)C	697776840	BCAUANZQAFKZSH-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
Cc1ccc(C(=O)[C@@]2(C)CC[C@@H](C)C2(C)C)cc1	699078184	OEZADKHPILLTPS-CXAGYDPISA-N	244.378	4.640	0	10	BJAE	
CCCN[C@H](c1ccsc1)C(C)(CC)CC	701171819	RFZMZJUDUHJWLA-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCCCCC[C@H](N)c1cccc(C(F)F)c1	701182537	BPYBKWAWZIGWAL-ZDUSSCGKSA-N	241.325	4.594	0	10	BJAE	
CCC[C@@](N)(CCC1CCCC1)[C@H]1CC1(C)C	704473016	ILVOTUTYUSTWFJ-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@]1(N)CCCCC[C@H]1CC	704951946	OKQUDCUEBVRHQU-HUUCEWRRSA-N	225.420	4.645	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCCC[C@@H]21)C1CCCCCC1	712527110	XDTJGDRCUPMNEI-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H]1C[C@@H](C)c2ccccc2N1	713137228	XKLACSIQMZHTRS-OLZOCXBDSA-N	231.383	4.801	0	10	BJAE	
C=C/C=C/CCCc1ccc(Cl)cc1F	713744947	KDASDBWNHRNDFJ-ONEGZZNKSA-N	224.706	4.544	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@H](C)C(C)(C)C	718603759	SIQKSHUVIQGUNT-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CCc1cc(N[C@H]2CCCC3(CC3)C2)ccc1C	723572452	AUPPPZHJPXACLG-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
Cc1ccccc1SCc1ccc(CF)cc1	1188659417	CRLVMSWNFDMSCL-UHFFFAOYSA-N	246.350	4.757	0	10	BJAE	
CC(C)(CCNC1CCC2(CCC2)CC1)C1CC1	1308420410	ZSRHHYLCYFUOLU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C=C/C=C\CCN(CC)[C@@H](CC)c1ccccc1	1459397764	JOJIFVDEXYFLJQ-QWPQOLDESA-N	243.394	4.592	0	10	BJAE	
CCC(C)=CCn1ccc2ccc(Cl)cc21	1900861530	GFRJWLBOKMZTKF-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
CC(=CCC(=O)C1CCC1)CCCC(C)C	1900901303	SVABMFUSQVZKFJ-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H](C)[C@H](C)C(C)C	1901618158	OZXZFWITOZLTSF-MCIONIFRSA-N	226.404	4.700	0	10	BJAE	
CC1(C)CC(C[C@H](N)C2CC3(CCCCC3)C2)C1	1912630141	ZBGNORBEELNTGF-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCCNCC1(CCC(C)(C)C)CC(CC)C1	1921187688	QJQPIMONXGRBMI-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC1(C)C[C@@H]1CCNc1ccc2sccc2c1	1921557907	KXQPWUQNODOHAJ-LBPRGKRZSA-N	245.391	4.749	0	10	BJAE	
CC1(C)CCC[C@H](NC2C[C@H]3CCC[C@H](C2)C3)C1	1923478008	APXCZCRKRZFPSC-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C=C1[C@H](CN)CCCC12CCC2)C(C)(C)C	1924788201	GAGPFOAXVLOMRM-KGLIPLIRSA-N	249.442	4.524	0	10	BJAE	
NCC1(C[C@H]2C=CCCCC2)CCCCCCC1	1925919560	FNRLIVBQJOEIED-INIZCTEOSA-N	249.442	4.812	0	10	BJAE	
CCC(CC)CCN[C@H]1CCCC[C@H]1C(C)C	1926159711	NZRINVMJIRMSIT-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCc1coc(C(F)(F)F)c1	1937786848	XRGZMSNMYPPMEO-UHFFFAOYSA-N	232.245	4.587	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)CC1(C)CCCCC1	1940410615	UCZAPEKMTMXNOL-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccccc1C(C)C	1940615810	HZDIQXUESMMMNR-INIZCTEOSA-N	234.383	4.670	0	10	BJAE	
CCC1(C[C@H](N)[C@@H](CC(C)C)C(C)C)CCC1	1941267234	PKEAVOCTWCPFEC-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H]([C@H](CCC)C(C)C)C(C)(C)CC	1941274210	YFMRYWZXYUYOFF-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1C[C@H](C)CC(C)(C)C1	1941357318	HSRBFLLIZXCBKP-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC(C)(CC)CC)CC1	1941357896	UUTYOZPYCVXGIL-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1C[C@H]2CCCC[C@H]21	1941719415	YTEGVGJRTSHQOT-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)[C@H](C)CCC(C)C	1942658034	OQDDETAMBUUECO-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C(C)(C)C(C)C	1944667668	FWNRWUJWLWPDTM-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2CCC[C@@H]2C)C1	1944795770	WUQWTGYYIZBKBQ-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@H]2CCC[C@H]2C)CC1	1944868928	PYFYJUQJZJZUJW-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCCCC(C)(F)F)NCCC	1948429791	MUSUXPVUZUMGOJ-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C1=CCCCCC1	1948972810	ZPBNICPPYAUSMT-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@H](CC(F)F)C[C@H](N)C(CC)(CC)CC	1949022820	OLJRIAXHYOCADE-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CCC=C(C)C)CC1	1949025501	WIVDCLQZOQSPFI-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CC[C@@H](C)[C@H]1C(C)C	1949045786	VOGSUPSUZPVURN-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CC1CC(C)(C)C1	1949735401	CMKCWNJHHMNGAQ-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(CC)CNCc1ccccc1C(C)C	1964074172	RMMLJAWYVJRGSM-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc(NC2CC(C)(C)C(C)(C)C2)cc1C	1968254132	BQOKARZFKNDMDG-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@H]3CC[C@H]2C3)cc1	1968408164	NYJZPGVATDWJJR-HLLBOEOZSA-N	243.394	4.630	0	10	BJAE	
CCCCN(CC1CCCCC1)c1ccccc1	1973316189	REGMNDLRIDKKRD-UHFFFAOYSA-N	245.410	4.873	0	10	BJAE	
CC1CCC(CNC2(C3CC3)CCCCC2)CC1	1973784946	ZIAFUMIFLZWGDK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@H]1CCC[C@H](C)C1	1978451807	PRBXTOSCFDUCJN-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)CC[C@H]1CCCCCCCC1=O	1980318998	KDJNUZTWCOIBRC-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC1(CC)CCC(C(=O)CC(C)C)CC1	1981064985	FCTVIIGYCXOPTH-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CC[C@H](C)C1	1995210459	IRLGWMAYDVOENB-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCC1(C)CC1	1995265428	ZAGYKRMJTASQCL-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](O)C2CCCCCCC2)C1	1996274102	YTQWBHOAFJELJJ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(CC(C)(C)C(C)C)C1CCCCC1	1996588448	GFBRIJHUFUDIKJ-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCCCCc1ccc(NC(=N)CCC)cc1	1997765263	GTHHBSXPMBOUNL-UHFFFAOYSA-N	232.371	4.609	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1CCC=CCCC1	1999984151	VCXWLQKCFKZIKG-LSDHHAIUSA-N	236.399	4.908	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2(C)CCCCCC2)C1	2000211951	QRTMPVLGMBCSMA-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C[C@H]1CC12CCCC2)NCCC	2001219982	RKHCYBHUDZQPTN-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1cscc1C(=O)C[C@H]1CC12CCCCC2	2001249735	GLHZKGKTAORROH-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1CCC12CCC2	2001859926	OBSVHDYFQSTMEU-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@@](C)(O)[C@@H]1CCCC(C)(C)C1	2003023813	YUOZAUYPUAGIEO-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NC1CCCCCCCC1	2003092922	MTYCLDSFVOBSSJ-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)C1(C)CCCCCCC1	2004920381	JODRCGMPHCHZQC-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CC[C@H]1NCC1(C)CCCCCCC1	2004936932	HILOTARPIDOJNJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCCC(C)=C1C	2006921295	FEMXUVUVKQLPDN-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CCC[C@@H]1C(C)C	2007660702	VDIWSXGUGLGEEQ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C)([C@@H](O)CCCC(C)(C)C)CC1	2007690307	AMZKKMYTAPVWTB-BBBYJDLNSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CCCCCC2CC2)CC1	2009404236	LSOWAZOQIFMZLF-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
C/C=C/CCCCc1ccccc1C(F)(F)F	2009593490	QHZAWQONTDJJEB-NSCUHMNNSA-N	242.284	4.994	0	10	BJAE	
CC=CCCC[C@H](O)c1csc2ccccc12	2009593931	PNRSNSUCMPKRFU-AWEZNQCLSA-N	246.375	4.681	0	10	BJAE	
CC=CCCC[C@H]1CCCCC[C@H]1NCCC	2009616101	FZXJWNQNBXFEHP-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1cc2ccccc2s1	2009619111	IUMJUXBOWGEHCJ-YWVDXFKGSA-N	245.391	4.648	0	10	BJAE	
CCCC[C@H]1NCC[C@]1(C)C1(C)CCCCC1	2009769234	FJPPAWWQTOKWHC-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@](C)(O)C1=CC[C@H](C(C)C)CC1	2010716052	DGWYJMZGOJMQMY-GOEBONIOSA-N	238.415	4.556	0	10	BJAE	
CCC1(C[C@H](NC)C(CC)(CC)CC)CCC1	2011187675	RTYVOSAODMROMK-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CCC(C)C)NCCC[C@H]1CC1(C)C	2013271349	RFVAWBUIZYRMCX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@](C)(O)C2(C)CCCC2)C1	2014327364	XVCJGXXRTSHTBV-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(O)CCCC12CCCCC2	2015269228	GSUZDXBKMKZKGY-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)(C)C)C[C@@H](C)C(C)C	2015277639	INTDKIMHISTNFU-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCCCC[C@@H](CCC(C(C)C)C(C)C)NC	2015343329	CXWFIYWFKFLDJI-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@](O)(CC1(C(C)(C)C)CCC1)C1CC1	2017114604	NMYIFTVWVICPPP-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C[C@H](O)C[C@H](C)C(C)(C)C)CCC1	2017121574	QFKCWYMYGKZMOM-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)c1ccc2sccc2c1	2017226858	WRTDOFPEJKJFDW-WDEREUQCSA-N	244.359	4.520	0	10	BJAE	
CC(C)=C(F)CC1(CNC(C)(C)C)CCCC1	2017468259	GDMTURDMGUCKSK-UHFFFAOYSA-N	241.394	4.588	0	10	BJAE	
CCC1CCC(C[C@H](O)CCCC(C)C)CC1	2017649192	SXZOCGBGAKWMCQ-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(CCC(O)(CC)CC)CC1	2017720807	VCCQOWBLMMHGNQ-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCC1(C[C@@H]2CCCCCCCC[C@H]2O)CC1	2018969267	DBFLDJFPWZQJDL-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCCCCN(CCCCC(C)(F)F)C(C)C	2023435642	AQAVKPDPMAHVFA-UHFFFAOYSA-N	249.389	4.713	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@@H](C(C)C)C1	2025572382	WANJVHXPEGKNQL-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CC1(C)C[C@@]1(C)c1nc(C2CCCCC2)cs1	2026608033	YCJJVJINWDGTBE-HNNXBMFYSA-N	249.423	4.878	0	10	BJAE	
C[C@@H](c1ccccc1)[C@@H](O)CC1(C)CCCCC1	2027312787	YWKQRYRVNODISB-HOCLYGCPSA-N	246.394	4.512	0	10	BJAE	
CCCC[C@H](Cc1ccccc1C(C)C)NCC	2027467954	XRBQHYPYZRHDEE-MRXNPFEDSA-N	247.426	4.521	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@H]1CC=CCC1	2027518729	VFSYWTMXYYXHAT-YOEHRIQHSA-N	244.378	4.590	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](N)[C@H](C)CCC(C)C	2029823775	JHAPCZDUPLGNAN-OIISXLGYSA-N	247.426	4.580	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)C1(C)CCCCC1	2035592521	NSQLBRBSLLTGBR-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@H]1CCCC1(C)C	2035593165	PJURDNDTIVMXDW-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1)C1CCCC1	2036664307	JOBXYLIUTDTUKW-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1cc(C)c(C)cc1C	2037168415	HGIAVGCEEFGYRV-KRWDZBQOSA-N	245.410	4.748	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C[C@H]2C=CCC2)CC1	2037305448	CURAWAOIMVFWLM-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CCCC[C@H](CC)c1nc2c(C)ccc(C)c2[nH]1	2038005683	WERZWKVZVJFRNG-ZDUSSCGKSA-N	244.382	4.864	0	10	BJAE	
C[C@H](CC1(N)CC2(C1)CC1(CCC1)C2)C(C)(C)C	2039462687	WEZFUMFZVGEONX-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)C2CC3(C2)CC(C)(C)C3)C1	2040149344	KTAFOGRUNPVWJZ-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H]1CC=CCC1	2042016105	GTHXSJOFPRRTPK-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
CCN[C@H](CC1=CCCC1)C1CC(C(C)(C)C)C1	2043002556	YHCLJZZTGRKZOC-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)C[C@@H](C)c1ccccc1	2045558132	ANEKPHQZVXFAHX-SQWLQELKSA-N	244.378	4.576	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2045683040	UVHPPLLPLWHFKZ-FSNAAORZSA-N	248.410	4.620	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1NC1CC2(CCCCCC2)C1	2046232573	ZZKZRHKOJBMBHG-HOCLYGCPSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)C[C@@H]1CC12CCCCC2	2047055320	JWAUUEBPUCJXEG-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C[C@H]1CCC12CCC2)C1CCCCCC1	2047927192	AMGPQMQUVMDNGE-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)([C@H]2[C@H]3CCCCC[C@H]32)CC1	2049226229	XCEUFQOYZFBFRD-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@H](C)[C@H]2CCC[C@@H](C)C2)ccc1F	2049539032	DMPBOAOKRGKGHN-BNOWGMLFSA-N	249.373	4.761	0	10	BJAE	
CCN[C@@H](CCCC=C(C)C)c1ccc(F)cc1	2050493358	XFYWRPYYNJJGGM-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1CC1(C)C)c1ccco1	2050524052	AISSTZQMZVTFOE-ZIAGYGMSSA-N	249.398	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@H](CNC2CC2)[C@@H](CC=C(C)C)C1	2051409850	VKEVMPBEXRJMNS-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(N[C@@H](C)c2ccc(C)o2)CC1	2051588306	FYNDLMCNVOJFPE-HLIUYOAVSA-N	249.398	4.598	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)[C@@H]1CCCCC1(C)C	2053667577	QJKRQDRRGRPQQA-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CN[C@H]1C=CCCC1(C)C)C1CCCCC1	2055532889	QOHHSXVOVRPRKH-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@@H]2CC=CCC2)CC[C@@H]1C	2055589095	SOEGEIKHARUKJP-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC([C@](C)(N)C=C2CCCCC2)CC1	2056916107	GTXNLDFKFMKNQN-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CC=C([C@H](N)C(C)(C)C2CCCCC2)CC1	2060925928	OBJREWJHVUOZIF-BBRMVZONSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccc([C@H](O)C2=CC[C@@H](C)CC2)cc1	2060930122	QFYJSSBGFOAMGT-CXAGYDPISA-N	244.378	4.590	0	10	BJAE	
CC[C@H]1CC=C(C2(N)CCC3(CCC3)CC2)CC1	2061120458	XRGDHOMTGRAFNF-AWEZNQCLSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC1CC(=C2CC2)C1	2061227218	LBRHTUURAAKAIZ-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
CCN[C@H](CC[C@]12CCC[C@H]1C2)C1(C)CCCC1	2061572846	UIDZWVTUZVSYQQ-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NCC[C@@]23CCC[C@H]2C3)CC1	2061576084	ZVARZPLMPQBZKX-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2CC(=C3CC3)C2)CC1	2061695308	BIYLHTLMVLVLLA-DOMZBBRYSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H]1C[C@H](CC=C(C)C)CC2(CCC2)C1	2063636734	MCVSVZYMVFJJHM-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)c1ccccc1C1CCC1	2068818564	QUJHUFPTNVEVLZ-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CCCC1(CC(=O)C23CCCC2CCC3)CCC1	2069289908	NQVSIUDCSFDJRF-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
Cc1ccc([C@H](O)CC2(C(C)C)CCC2)cc1C	2071896879	IUHRCKIRDWGMPZ-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)C1(C(C)(C)C)CCC1	2071930982	UCIAQEIMCNDTGB-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@@H]2CC23CCCCC3)CCC1	2071948523	FQXBFDMMTDBMCV-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CC23CCCCC3)CC1	2072798957	OGGQLJMGFHNCPE-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC23CCCC3)CC1	2072805433	CCRQLFZJPFEQCU-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CCCC1CCC(C=Cc2ccccc2N)CC1	2072817417	CPBIWWFTPDAUGE-UHFFFAOYSA-N	243.394	4.889	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@]12CCCC[C@H]1C2	2074029718	PBQTUDRIJMCBSB-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1C[C@H]1C1CCCC1	2079429819	ZOLQOJHFZDKKHV-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C[C@H]1C1CCC1)C1CCCC1	2079443048	MIUNOZKCFKSYJG-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@H]1C[C@H]1C1CCC1	2079445641	YMQMZPKKVNRZEC-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN[C@@H]2C[C@@H]2C2CCCCC2)CCC1	2079532875	XJRMDMQIYRXKOY-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(C[C@H]1C[C@@H]1C1CCCC1)C1CCCCC1	2079882849	AXRZYRJSJUAKPP-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)[C@H](NCC)C1=C[C@H]2CC[C@H]1C2	2081678490	YGVXSHRGVASMIO-QRTARXTBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)c1cccc(C(C)(C)C)c1	2083543037	CXFOOHMNXIGDIZ-OLZOCXBDSA-N	244.378	4.603	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1ccc(C)cc1C	2086043306	DPGQMLILCRDKDS-DYVFJYSZSA-N	248.410	4.943	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1ccc(CC)cc1	2086053131	IRPJDEJQZNJCJL-YOEHRIQHSA-N	247.426	4.855	0	10	BJAE	
CC[C@@H](C)CCNc1cc(C)c(Cl)cc1F	2210739334	VPGHYNGUHISADZ-SECBINFHSA-N	243.753	4.636	0	10	BJAE	
C1CCCCN(CCCCC2CC2)CCCC1	2214561661	ZNLOOUWTHOOIPC-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@H]1CCCC(C)(C)CC1	2215338439	GBOCJAGHNIIOKC-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@@]1(C)CC=C(C)CC1	2215810544	UVBQNRXIILYOGT-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC1=CC[C@@](C)(CNCCCCC(C)C)CC1	2215820427	DNYBSCTVHXYGOA-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC[C@@]1(C)CC=C(C)CC1	2215821146	LKMWVPPJYPMCDO-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC1=CC[C@@](CN)(C[C@@H](C)CC(C)(C)C)CC1	2215832165	BHVNZEHVYNSYCV-HOCLYGCPSA-N	237.431	4.524	0	10	BJAE	
CC[C@@]1(CCCCCCCC2CC2)CCCN1	2216863800	RLQXEZWXJDPGDH-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CC(C)[C@](C)(CCC(C)(C)C)CNC1CCC1	2217125294	OCCPWFITNFOXFJ-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@H](C1CCCCC1)C(C)(C)C	2217125601	QPLYGIKAIAFEKU-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
O=C(CCC1CCCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218309020	IIXAZSCBPNJBLG-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)CCCCCCC1CC1	2218733899	YNLRXCPZHFVHAL-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@H]2CC[C@H]2C)cc1	2220579097	FOWHHJODCPQWPS-RMHZUWNSSA-N	245.410	4.507	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)c1cccc(C(C)(C)C)c1	2220641082	ZNXLBYJHZBKGIZ-OLZOCXBDSA-N	244.378	4.603	0	10	BJAE	
C[C@@H](NCC1(C)CC2(CCC2)C1)C1CCCCC1	2220936969	VLMYXOQCNKPSLF-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CNC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222949150	MZDSZCWBCBNRKF-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
O=C(CCC[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC1	2222956202	ZXOJBTPYCWCFIW-FMKPAKJESA-N	248.410	4.742	0	10	BJAE	
C1=C(C[C@@H]2C[C@H]2c2ccccc2)CCCC1	2243237395	LQZLTLSHNKMHOS-CVEARBPZSA-N	212.336	4.681	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(C)c(Cl)c1	2244802958	RGXOYAODIOAGKO-GFCCVEGCSA-N	239.790	4.887	0	10	BJAE	
CCC1CC(C(=O)CC[C@H]2CCC[C@@H](C)C2)C1	2246660610	RGUTVEWSVFFCLJ-FEWQNLEASA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)CCC(C)(C)C)C1	2246671449	XUIZKBWPDXNLCY-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC[C@@H]1CCC[C@@H](C)C1	2246724573	DPWGNTGJIFRDTF-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CCCC=CCNc1cccc(C(C)(C)C)c1	2249254740	SLIXBTHMGNGFBU-UHFFFAOYSA-N	231.383	4.752	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1csc2ccccc12	2250352729	OJCRHDMBZLOHET-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC12CCC(CC1)CC2	2250352957	QCTRHNIMLOWINN-PWUWZPNHSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CC1CCC(C)(C)CC1	2250355399	AVWURKCUAZUKPR-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@H](CC)CCC	2250355412	AXMCWQITDOYJSI-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1NCCC[C@H]1C	2250477044	SQJISGLSSNZRSC-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1NCCC1=CC[C@H](C)CCCC(C)C	2250515866	CVUJSJORBIAJQX-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCNc2ccc(F)cc21	2251636384	NPLBJGGPMZHQBX-NWDGAFQWSA-N	235.346	4.551	0	10	BJAE	
C1=C[C@H](Cc2ccc3ncsc3c2)CCCC1	2253126533	JOFIPWNNHVLYRG-LBPRGKRZSA-N	243.375	4.585	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CC[C@@H]1CCCC12CC2	2255317135	FZDYBDIVJGZMLB-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CC[C@@H](C(C)C)C1	2256147746	TXPLXDHIOTZNNU-ZIAGYGMSSA-N	249.373	4.625	0	10	BJAE	
CCCc1ccc([C@H](O)CCCC2(C)CC2)cc1	2256318147	QMJMPNUHBZYGFX-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(CN)CCC12CCC2	2257281512	IIZYJXQUZYPSFS-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@@H](C)c1ccc(N)cc1	2257340964	PJUPSARBYCMLPB-IJEWVQPXSA-N	245.410	4.979	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cccc(C(C)(C)C)c2)C1	2257907437	JWDDLIHZXPNPQR-CZUORRHYSA-N	245.410	4.975	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1cccc(C(C)(C)C)c1	2257908843	UFHKXJMFUXYFHA-KBPBESRZSA-N	245.410	4.832	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc(C2(C)CC2)cc1	2259435927	LDYABMPYCVUFDG-CYBMUJFWSA-N	244.378	4.747	0	10	BJAE	
CCC[C@H](CC)C(=O)Cc1cc(C)cc(C)c1C	2259449423	VZSGGVGDBLZCPQ-HNNXBMFYSA-N	246.394	4.550	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@]12CCCC[C@@H]1CC2	2260513673	VWBNHRROEAZYJN-NVXWUHKLSA-N	246.394	4.662	0	10	BJAE	
CCC[C@H](NC[C@@]12CCC[C@H]1CC2)C1CCCC1	2260532337	DLTRGSLEQHPDPT-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCCN(C[C@@]12CCCC[C@H]1CC2)C1CCCC1	2260569135	MFNXBJHYMTYNNB-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
C[C@H](NC[C@@]12CCCC[C@@H]1CC2)C1CCCCC1	2260580647	BPRKYMPAGXBGHW-UAGQMJEPSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@]12CCC[C@@H]1CC2	2260652138	PSKSIPWVTHZZCB-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]23CCCC[C@@H]2CC3)C(=O)C1	2260654996	BBQZYMBHHLYLKV-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@@]12CCCC[C@H]1CC2	2260657855	LFEDGBQRDITBNH-QZWWFDLISA-N	249.442	4.645	0	10	BJAE	
CC(C)CC1(C(=O)[C@@H](C)CC2CC2)CCCC1	2298894289	WZAFLIOZPGZCHP-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCC(C)(C)C1CC1	2300504886	GFKKIUQQFIJZQO-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@](C)(CC)CNC1CCC1	2300701704	UAIVAQXCRFVCFL-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](N)(CCC(CC)CC)C1CCCC1	2300704019	MOXBBQXMMCOREW-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC(=CCCC[C@H](O)C(C)C)CCCC(C)C	2300864471	AURYTWCWQGNIBT-INIZCTEOSA-N	240.431	4.946	0	10	BJAE	
CCC(C)=CCC(=O)c1ccccc1C(C)C	2300882134	UAAVMAUZUDRDIS-UHFFFAOYSA-N	230.351	4.739	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2CCCCCC2)[C@@H]1C	2301143215	RNLBFXHIXBEOQG-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N(C)C1CCCCCCC1	2301971379	MRDGLHLRSQCJAT-HUUCEWRRSA-N	239.447	4.712	0	10	BJAE	
CCC[C@@H]1CCCN([C@@H](C)[C@@H](C)C(C)C)CC1	2301978856	RMDFQYZGYTVCPG-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](O)CCCCC2CC2)CC1	2302572267	SLOWLIOWVPSQAY-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC1CC(C(=O)C[C@H]2CCC(C)=C(C)C2)C1	2303597970	WYZPVUYRKGVBHK-SLTAFYQDSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CC[C@@H]1CCC(C)(C)C1	2304438016	APPUGRSRNNCGNJ-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CCCC1CC([C@@H](C[C@H](CC)CCC)NC)C1	2307905446	XCRBTTZUFRQVSI-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1C[C@@H]2CC[C@H]1C2)C1CCCC1	2312872282	YQIUHYVPMIIJTG-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@H]1CCNC2(CCCCC2)C1	2313595558	AGNUDDVFSJCHAO-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CCC(=O)C[C@@H](C)c1ccccc1	2316268705	MHYBZCZKLFHQMO-CQSZACIVSA-N	246.394	4.966	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@H]1C1CC1)CCCC(C)C	2316490527	NWOLAKMPHZMMST-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1ccc(CC(C)C)cc1	2316532277	NLZDXJGELNRNJZ-QGZVFWFLSA-N	246.394	4.665	0	10	BJAE	
CC(=CC[C@@H](N)C[C@H]1CC12CC2)CCCC(C)C	2316578826	JOBSBGIKRMGBQW-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1=O	2317007562	ACHQVMYCYXRQIG-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317123003	ZYAJMJGWHRPLAY-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CCCCC1CC1	2318875718	MTDRBJDMHVVYRP-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CNC[C@@]1(C[C@@H]2CCC(C)(C)C2)CC=C(C)CC1	2319073605	OWMKIDMBPLCPIC-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(OC[C@H]2CC[C@@H]2C(C)(C)C)c1C	2320253599	NDLPRYYEKWMIIX-CABCVRRESA-N	246.394	4.755	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)c2ccccc2F)CC1	2320416016	GSJZMSCEIHWBOR-ZDUSSCGKSA-N	246.325	4.535	0	10	BJAE	
CC(C)c1cccc(CCCC(=O)C(C)(C)C)c1	2320648999	UHYCJRGFYKAUSM-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
CCCCC[C@H](C)Nc1cccc(C)c1C	19978688	HYBNBMXLTQZQDJ-ZDUSSCGKSA-N	219.372	4.684	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(C)cc1F	20520413	LRSSROBEKIVEOX-CYBMUJFWSA-N	237.362	4.905	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C2CCCC2)cc1	36162314	JNMDDYYXXNWVRZ-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
Cc1[nH]c2ccccc2c1C1CCCCC1	36438926	YXQPZRQAXZNGLW-UHFFFAOYSA-N	213.324	4.524	0	10	BJAE	
CCCC[C@H](N[C@@H](C)CC(C)C)c1ccccc1	37255675	AXYZLYXZPLZYOM-RDJZCZTQSA-N	247.426	4.942	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@H](C)NCCC	70743983	AADWQJUZHXESRC-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccc(C(C)(C)C)cc2)C1	80425987	PMXCTCXJZJHXHV-DOMZBBRYSA-N	231.383	4.585	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC[C@H](O)c2ccccc2)C1	80479517	MTQNKHWMJNOAHL-VYDXJSESSA-N	246.394	4.717	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)C[C@H](C)CCC	82816898	LLKUNAYZOMXKBA-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2C[C@@H](C)CC[C@@H]2C)c1	85085207	GOROUYQJAJQPPF-HZUKXOBISA-N	231.383	4.540	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NC[C@H]2CC=CCC2)CC1	86945907	YLFUZEJHOKVLJS-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C1CCCCCCC1	87690262	RIFFVHBBRLHHOV-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)[C@@H](O)c1ccc(C(C)(C)CC)cc1	90484575	SLUCSQBCBLYVAQ-MRXNPFEDSA-N	248.410	4.844	0	10	BJAE	
CCCCC[C@H](CNCCC)c1ccccc1C	93106824	YIJFPMXMISLSHX-MRXNPFEDSA-N	247.426	4.659	0	10	BJAE	
C[C@@H](C(=O)O)C1CCCCCCCCCCC1	94064831	IAYHEAJJFYJHJI-CYBMUJFWSA-N	240.387	4.628	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](CC)c1ccco1	103974441	MMWHCSGQTIIMAJ-UONOGXRCSA-N	237.387	4.679	0	10	BJAE	
CCCN[C@H]1CC[C@H](C)C[C@@H]1CCC(C)(C)C	109661699	GPNSSFNANYWDOB-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N[C@@H](C)c1cc(C)c(C)cc1C	109927718	VOOINQDREJEUIQ-LYRGGWFBSA-N	247.426	4.697	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1cccc(C)c1	111817365	NUJDNPOJRPRJDF-GDBMZVCRSA-N	234.383	4.635	0	10	BJAE	
CCCN[C@@H](C(CCC)CCC)C(C)(C)C	126960282	YXEGHQGBKQMBRM-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(Cl)c(NCCC(C)C)cc1Cl	132069920	VUPYKBVMSQAJIV-UHFFFAOYSA-N	246.181	4.760	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H](C)CCC	168033118	UUYBLGAXMWTMSN-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
C[C@@H](C[C@@H](O)CC1CCCCC1)CC(C)(C)C	168808183	PJMXTEVKDHKDJF-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CCC2CCCC2)C1	169184752	GYHQNRMGQNMKCJ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCCCCc1cccc(C(C)(C)C)n1	196642974	GYRSULBVEHPHMY-UHFFFAOYSA-N	219.372	4.502	0	10	BJAE	
Cc1cccc(C)c1CSC1CCCCC1	201785366	CNIBWUSFZONOCK-UHFFFAOYSA-N	234.408	4.869	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCC(C)(C)C1	225981512	YOQLIVKUYDDTKM-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CCN[C@@H](CC(CC)CC)c1ccc(C)cc1C	229164702	BFLIHEYVJIOOEI-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCC(C)(CC)NC[C@H](c1ccccc1)C(C)C	230954099	IBDQEOMFEKJHBE-INIZCTEOSA-N	247.426	4.595	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(C(=O)CC)cc1	232975781	JOEPVFAVGIGBKI-CYBMUJFWSA-N	247.382	4.660	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C[C@H](C)CC(C)(C)C	252907505	WPEUOIXKLILICF-MELADBBJSA-N	228.420	4.636	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1CCCC(F)(F)C1	305997287	MZNGATPIGHWGAM-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
Cc1c(N)cccc1S[C@@H]1/C=C/CCCCC1	306006210	OCEDYSJFEUOPHC-OQHXTRMZSA-N	247.407	4.558	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1	306111090	UHOHSPVKKKRLBY-HYVNUMGLSA-N	243.394	4.630	0	10	BJAE	
CCc1cc2scc(Cl)c2cc1Cl	306910803	QAVRHZOVOIZWKD-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CC(C)CC[C@@H](C)NCC(C)(C)C1=CCCC1	308752192	BPRUMFXRJWMAKY-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)c1cccc(C)c1	311009657	XCFWFASITYSMKG-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CNC[C@]1(CCCCCC(C)C)CCC[C@H]1C	317000890	HKPLZISJMKZCHB-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@]1(CNC(C)(C)C)CC=CCC1	317208247	JHBAUKQNXFFXJH-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)NCC(C)(C)CC/C=C\c1ccccc1	317408653	ONBLSYTVTKCVAG-WQLSENKSSA-N	245.410	4.504	0	10	BJAE	
CC(C)=CC[C@@]1(CNC(C)(C)C)CC[C@H](C)C1	318029103	PLVFKTAAFZRIDZ-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)(C)C)[C@H](C)C(C)C	319788592	HSBZUWMFBLSMFK-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
C/C(=C\CCCCC(C)C)C[C@H]1CCCCN1	383113470	APPGZUNXMNGYQL-AAGJOFLKSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc([C@@H](CN)CCCCCC(C)C)cc1	383233397	HRBICSGCBYVQCH-QGZVFWFLSA-N	247.426	4.644	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCCC[C@@H]1CN	383245278	VRKSCNDNVIUPLT-JKSUJKDBSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C1(CCC)CC1	383474744	QNJOTLREUOBNOX-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCCC1(C)C	383559953	RXKQAYZLULLCSR-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
C[C@H]([C@@H](O)CC1CCC(C)(C)CC1)C(C)(C)C	383614217	TZNMUXUFQSLTLZ-OCCSQVGLSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H]2CCC[C@H](C)C2)C1	383978368	ZNPKOWROOURCHS-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
C1=C(CCn2ccc3ccccc32)CCCC1	384946366	KVTMVDKECLLASR-UHFFFAOYSA-N	225.335	4.532	0	10	BJAE	
CCN[C@H](c1cocc1C)C1CCCCCCC1	385149944	CVXKHYCHJCBCKA-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
Cc1ccccc1[C@@H](O)CC1CCC(C)(C)CC1	385165457	DPMOWCBBIVSNRL-INIZCTEOSA-N	246.394	4.635	0	10	BJAE	
CCOc1ccccc1N[C@H](C)CCC(C)(C)C	385404270	OMEJBGHHTLZFPQ-CYBMUJFWSA-N	249.398	4.712	0	10	BJAE	
CCCCC[C@H](CCC1=CCCCC1)NCC	385797942	OMKUQYKDJKYJEK-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CCCC(CCC)[C@H](N)CCC1=CCCCC1	385817776	RDNWUACXBNIZMM-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC23CCCC3)c1C	385869689	YNMFRULFXDIAEZ-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CCC2=CCCCC2)c1	385909855	QTIMAWDVMBNAGJ-KRWDZBQOSA-N	243.394	4.584	0	10	BJAE	
CC[C@@H](NCC(C)(C)CC(C)C)c1ccccc1	391193464	XCMCQJMUBZNEPU-MRXNPFEDSA-N	247.426	4.800	0	10	BJAE	
CC[C@@H](C)CCNc1ccccc1C(C)C	394457268	OYLFLRPWGIEKRN-CYBMUJFWSA-N	219.372	4.658	0	10	BJAE	
CC[C@@](O)(CCCCCC(C)C)C(C)(C)C	395508323	ZYYKMNVNIHYMER-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
Cc1ccc(C)c2c(C(F)(F)F)csc12	396202186	SFHSVSUONMEATM-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCOc1cc(C(F)F)cc2scc(C)c12	396232601	AOUDQQPFYHSCER-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1c(C(F)F)c(C)cc2ccsc12	396413381	XSZOSSCDQGPZBO-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCC1(CN[C@H](CC)C2CCCCC2)CC1	687541113	MTQAENQWIZDZQK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC1CCC1)c1cccc(C(C)C)c1	688941272	YEQMSMDMKXWZKN-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
C(=C\c1ccccc1)\CNc1ccc(C2CC2)cc1	690098411	CIXYSJDMKKKGGQ-DAXSKMNVSA-N	249.357	4.689	0	10	BJAE	
CC(C)C1CCC(N)([C@@H]2C=CCCCCC2)CC1	690413276	MVJWNWMXFLFVRN-AQFXKWCLSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](C)CC1(CNC(C)(C)C)CC(C)C1	691411928	AAWWFIHASGNOMY-VQCLRJIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC(C)(C)CC(F)F	694657508	SDPPAQDLUOENMF-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCC[C@H]2C2CC2)C1	696111764	RJKUVWHHUDBZDX-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)CC(C)(C)CC	696266852	MBFQXMFQMYZNML-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C(C)(C)C(C)(C)C	696648299	XRBYNCYXZSKCCN-GFCCVEGCSA-N	227.436	4.602	0	10	BJAE	
CC(C)=CCCC(=O)C(C1CCC1)C1CCC1	697781117	RYOZRMDCWMBMNV-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H]2C[C@H]2C(C)(C)C)c1	700010252	DACAEXLVHWFHBX-XHSDSOJGSA-N	246.394	4.526	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](NCC2=CCCC2)CC1	702332613	IHINPZSQPMWCIS-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(CC)c([C@H](O)[C@H](C)CC(C)C)c1	704742259	ROTMXDCSHCKBFP-CXAGYDPISA-N	248.410	4.527	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)CCC(C)C	704833759	UAXDCQJCBVDATP-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H]1CCCC[C@@H]1C	704879451	RLKMPKIFYYCLHJ-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@H]2CCCC[C@H]2C)C1	704946418	WEJNXEFAEDZMJE-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC1(CN[C@@H]2CCCC23CC3)CCCC1	706519907	XXBDOQOTRZUFNB-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NCC[C@@H]1CC=CCC1)c1cccs1	706943937	DHXUCOSFFKTAPP-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
CCC[C@@](N)(CC1CCCCC1)C(C)(C)C	707671269	FPJAZKMCEUMWHY-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(OC[C@@H](C)CC(C)(C)C)cc1C	709103889	BJGVJZSHACMGPF-LBPRGKRZSA-N	234.383	4.755	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@]23CCCC[C@@H]2C3)c1F	709125721	IGXGRSHSWPQNHG-XJKCOSOUSA-N	247.357	4.515	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@H](C)CC(C)(C)C)c1	709260129	JOURLXLXDOEINQ-CYBMUJFWSA-N	232.367	4.558	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1CCC2(CC1)CC2	709958923	IANLIVMFSHCCTO-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](C[C@@H](C)C(C)(C)C)NC(C)C	710818569	FCALBWKYZVJITE-KGLIPLIRSA-N	227.436	4.616	0	10	BJAE	
CC[C@H](C[C@@H](N)CCC(C)(C)CC)C(C)(C)C	711213083	MKSDYYZWTFETKD-KGLIPLIRSA-N	241.463	4.993	0	10	BJAE	
C[C@H](CCC[C@@H](N)c1ccccc1)C(C)(C)C	711221065	ZXGQAEBPRCWLOS-UKRRQHHQSA-N	233.399	4.539	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(C(C)C)CCCCCN1	713267655	NUQHFOKHJFHVCY-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@]1(CC(C)(C)CC)CCCC[C@H]1C	713334542	GIHBPOZWMYAZBE-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC1CCCCC1)NCCCCC1CC1	716369075	DYBHFGNCBBDACS-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC1([C@@H](N)c2ccc(C3CC3)s2)CCCC1	716530572	DZDIPLKJGJGREO-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)c2ccc(C3CC3)s2)C1	716559041	BJBLEZROQAGJHS-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@H]1N[C@H](C)CC(C)(C)C	717436200	AVQUXBGGASRMOK-BFHYXJOUSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC1CCC=CCC1	718018189	IHCMZIBMCPRBLU-INIZCTEOSA-N	249.442	4.824	0	10	BJAE	
CCCc1ccc([C@@H](NC)C(C)(CC)CC)cc1	721664194	UUKMPICLDTYLAZ-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CCC[C@@H](C)C1	721691024	IWKHKYQWLDCRMV-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)C(C)(CC)CC	721737144	QQCPWKJRABOOFG-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@@]12CCCC[C@H]1C2	822096160	ZCMGIOQCITUTKQ-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1N(C)C[C@@H](C)CC(C)(C)C	1643928101	MPTMVAQDXUWRHL-ZDUSSCGKSA-N	233.399	4.504	0	10	BJAE	
Cc1ccc(SC[C@H]2CCC[C@@H](C)C2)s1	1644009387	GNKYNEVYQQSCBZ-PWSUYJOCSA-N	240.437	4.975	0	10	BJAE	
C=C/C=C/CCSc1ccc(C)cc1C	1652455576	WXJSTQVULHZKBN-AATRIKPKSA-N	218.365	4.528	0	10	BJAE	
C[C@H]1CCC[C@@H](Sc2ccc(F)cc2F)C1	1656172719	CIYOADXYCDLJLD-GXSJLCMTSA-N	242.334	4.636	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@@H](C)CC1CCC1	1899378101	MCYFSANUJRWDSX-NSHDSACASA-N	238.758	4.606	0	10	BJAE	
Cc1ccc(C(C)C)c2c(C)cc(Cl)nc12	1900574650	JEURKKSGXDYAEO-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CCCC1(C)CC1	1900587583	QTJMVNOUXVDIAY-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CCCC(CC)CC)CC(C)C	1900696331	KOLKZNANDSNSRH-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CCC(=O)CC1(C)CCCC1	1900714192	ULRQBWPKXYJMQD-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCc1cscc1N[C@@H]1CCC[C@H](C)[C@H]1C	1902389731	GOXFYEJEWVFUOM-DMDPSCGWSA-N	237.412	4.547	0	10	BJAE	
CCCCC(=O)CCC[C@H]1CCC(C)(C)C1	1903422070	MILBCDKFBQARFO-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H](CC)CCC	1905353675	NZDVTFHZKGFERD-LSDHHAIUSA-N	227.436	4.891	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](C)c1ccc(N)cc1	1905357481	BWIUIXPYZCSGBU-CHWSQXEVSA-N	219.372	4.589	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCCC[C@H]1C	1905364509	ZBGBDJNHOVXJIC-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C[C@H](CC)CCC)NCCC	1905434915	NVJFJJFDXKRMCK-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
C=CC=CCC[C@@]1(CNC(C)(C)C)CC[C@H](C)C1	1911922457	KMAXZPOVODLRLT-DOTOQJQBSA-N	249.442	4.703	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC	1911998343	PAMIFNWIWPIOMD-GVDBMIGSSA-N	249.442	4.561	0	10	BJAE	
C=CC=CCCC1(CN)CC(C)(C)CC(C)(C)C1	1912009310	ZKZCOVANOGAOGI-UHFFFAOYSA-N	249.442	4.690	0	10	BJAE	
CCCN[C@H](CCC=Cc1ccccc1)C(C)C	1912111683	QBFSHRIVEBLFAK-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@@H](CC)CCCC	1912130976	ZBMSFMUMGRQRPU-JKSUJKDBSA-N	237.431	4.703	0	10	BJAE	
CCCCCC[C@](C)(O)c1ccc(CCC)cc1	1919971603	BLEZMQGFHAOLTH-KRWDZBQOSA-N	248.410	4.817	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CC1CCC=CCC1	1919972449	CSOWCNDWSRUBNT-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@@H](c1ccccc1)C(C)C	1921320713	PLORIMDCYODOAU-BHYGNILZSA-N	248.410	4.613	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@@H](C)C1CCCCC1	1924074842	IBMZZUBMWOHDII-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H](C)C1CCCCC1	1924076531	VUFTWFXHFCIAPM-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@H](C)C1CCCCC1	1924093346	JOBUPSZSSXGYCN-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)C[C@H](CCC[C@H]1CC1(C)C)NC	1926381807	LQQADGAUFZPCHM-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)CC1(C)CCCCC1	1935606180	RBOLPFDLUPNMIM-UHFFFAOYSA-N	224.388	4.886	0	10	BJAE	
CCC(CC)C1(O)CCCCCCCCC1	1938718476	IODLBRLDQFNCTJ-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)Nc1cccc(Cl)c1	1939045895	FGQIZHKHJUFFGG-RYUDHWBXSA-N	239.790	4.823	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)CC1(C)CCCC1	1940244500	SAAOBXWEVZZROP-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(OCCC[C@H]2CC2(C)C)cc1C	1940871303	BKDAGOBZFVCEGV-AWEZNQCLSA-N	232.367	4.509	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC1(C)C)C(C)(C)CC	1940878763	VKWGUZFXBVRTIO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](O)CCC1CCCC1	1940880450	AGEHIRUIFKBIBA-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](NC)[C@H](CC(C)C)C(C)C	1941262297	BYCOYIZUKDBCCF-CAOSSQGBSA-N	241.463	4.575	0	10	BJAE	
CCCCCC[C@@H](CCCCCC1CC1)NC	1941585181	DXVSZMMUUDZVRE-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)c1cccs1	1941811633	AQEGLOHKEKNMSG-CQSZACIVSA-N	249.423	4.535	0	10	BJAE	
CC[C@H](NC[C@@]1(C)C=CCCC1)c1ccsc1	1943134420	QXCCZGAAQYZKIS-GJZGRUSLSA-N	249.423	4.535	0	10	BJAE	
CCCCCC[C@]1(CNC(C)C)CC12CCC2	1944503961	QELNTEYCJPAUJI-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C1CCCCCCC1	1944799182	KJAPXINHINFQNM-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@H](C)NC1(C2CCCC2)CCC1	1945294800	ZDFJMAJDMKYCAN-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@]1(N)CCCCCCC1(F)F	1947302495	VAXUJFDTMCVXNN-CYBMUJFWSA-N	247.373	4.644	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CC1CCC(C)CC1	1948331559	HASJAADQWLGQLU-BHDPWAOGSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)C[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	1948587632	SUSLNAXFXMDAPJ-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC[C@]1(CN)CC12CCCCC2	1950598526	GXVKMRHTNCLRTA-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)C2CCCCCC2)CC1	1950910830	JTZPQXSBZRUABQ-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CCNC[C@@H]1CCCC(C)(C)CC1	1950918294	JFTJTGUVYIAQNZ-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)NCCC12CCC(CC1)C2	1950957881	JGRIPODZXUECQF-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCC(F)(F)C1	1956118252	CLIUKZXWWNIBEA-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CC[C@H]3CC[C@H]2C3)CC1	1967761429	CDDSJRXDSTZGGZ-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C)c1OCC[C@H]1CCC[C@@H](C)C1	1968269422	BFAROUYVAXABRJ-CZUORRHYSA-N	246.394	4.899	0	10	BJAE	
CCCN(Cc1cc2ccccc2s1)C(C)C	1968700237	ZPQYXPGBQGZYEW-UHFFFAOYSA-N	247.407	4.522	0	10	BJAE	
CCCN(C[C@@H]1CCCC2(CC2)C1)C1CCCC1	1968779797	VMCCMGWLCGRXBE-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC=CC[C@](CC)(CCCC)CNCCC	1978637267	KRKXESKLEXWCBB-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CCCCCC[C@@](C)(CCCC)CNCC	1978639542	QXXNIKGMENZKJZ-OAHLLOKOSA-N	227.436	4.763	0	10	BJAE	
CC(C)=CCCCC(=O)c1cccc(Cl)c1	1980684131	CEZBNSMADLFGIZ-UHFFFAOYSA-N	236.742	4.659	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1cscc1F	1982846060	GGYRJRAPIIVCJQ-JTQLQIEISA-N	242.359	4.676	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H](C)CCCC	1984619626	WFCKYOPUOIIKRH-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCCCCCC(=O)C[C@H]1C[C@@H]1C(C)(C)C	1993067041	QINBZKJVKUCRHI-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
CCC[C@](O)(CC)C[C@@H]1CCCC(C)(C)C1	1994034161	OULIULHKOQVHJC-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1sccc1C	1995215412	VLBXQEWREPKSKY-LLVKDONJSA-N	238.396	4.846	0	10	BJAE	
C[C@@H](CN(C)CC1(C)CCCC1)CC(C)(C)C	1995984274	XXEKBXGJOKUQAX-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](C)(O)C1(C)CCCCC1	1995988489	YXDXPJCLDCMEKA-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC[C@](O)(CCC1CCCC1)C1CCCCC1	1996546471	KMWSCKBTROLNQN-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)[C@@H](C[C@@H]1CCC=CCCC1)NC	1999990827	MUCPRXNFNHRWPB-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)C1(C)CCCCCC1	2000390565	OQJCFYFKBYIGDI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CNC)C[C@H]1CCC=CCCC1	2000521516	VVCKCPSXYSGPSX-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@H]1CC12CCCCC2	2001211656	SYBBFIRYSHZBKM-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C)C[C@@](C)(O)C1CCC(C(C)C)CC1	2002924452	KEDGLTRNVMKYIY-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2003218564	RVVAMDSAJMTCGL-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@H](C)C1CCCCC1	2004227751	AAZDCWXDUUIJJH-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)CC(C)(C)C	2007811780	FCLABYICMQQVSY-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CC[C@H](C)CCC1=O	2009412233	WJOJTVDJANQFDC-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CC1(CC[C@H](O)C(C)(C)C2CCCCC2)CC1	2009540003	IZWQRIATIYHEOB-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@]1(N)CCCCC[C@H]1C(C)C	2009566655	GYSGMGVEOMWCEI-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@](C)(O)C1CCC(CC)CC1	2009595673	XPWIRCDDRHIIML-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1N	2009619418	LDZFSDLVJMXEIV-YVSHFGMPSA-N	237.431	4.523	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C1CCCCC1	2009634800	JIDAIAQHXYELAO-LLCTXKFZSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2CCC[C@H]2C)C1	2009791650	OUFGRBFIEQFHGI-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](NCC)C1=CC[C@@H](C(C)(C)C)CC1	2010711562	BOYYHYFHNSDJMS-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011972329	XMBKKLGTOLNLKP-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CN[C@@H](C)C1CCC(CC)CC1	2013475489	KEZBUPDNOHEHJP-FXQLRMTLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C[C@@H](O)[C@@H](C)CC(C)(C)C)C(C)C	2015282899	ZKKAEYSDNQEROP-DZGCQCFKSA-N	242.447	4.738	0	10	BJAE	
CCN[C@H](CC(CC)CC)C1(CC(C)C)CC1	2015748509	DRCPEEMRPJQPAA-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1(C(=O)CC2(C)CCCCC2)CC1	2015749288	MJOJQHGKQSENGO-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C(C)(C)CC(F)F	2016017944	ATWYYHUQSAZSAG-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@H](CC)C(C)C	2016107612	XMAHUYWQHPAQBA-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@]12CCC[C@H]1C2	2016448899	WNSAPSQQXORIAV-YCPHGPKFSA-N	236.399	4.598	0	10	BJAE	
c1cc2cc(N[C@@H]3CC[C@@H]3C3CC3)ccc2s1	2017046854	FUENFLBADUQITQ-ZIAGYGMSSA-N	243.375	4.502	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CC1(C(C)C)CCC1	2017116843	NWKJTLBAWIJLIK-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCC1([C@@H](N)CC2(C(C)(C)C)CCC2)CCC1	2017123729	CFFFSJWYRZQZLU-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)C1(C(C)(C)C)CCC1	2017130625	FJMJRFVGTOQSOZ-ZDUSSCGKSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC(=O)[C@@H]2C)CC1	2017776589	QWXOQWZXBWHKQB-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@@H]1CCC[C@H](C)C1	2018179213	FJNIMDYVKILEFG-HRCADAONSA-N	239.447	4.856	0	10	BJAE	
CC1(C)CC(CC(=O)C2CCC2)CC(C)(C)C1	2024092775	UYDJOZLWXJTSLO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC=C(CC)c1cccc([C@@H](CC)NCC)c1	2025223718	MWMWFSUTJHRDQY-MRXNPFEDSA-N	231.383	4.561	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCC[C@@H]1C[C@@H]1C	2026165541	CHOQVLDJVAUCKN-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(F)c2c(C3CCCCC3)coc12	2026604272	ZRSIXYHMRWXCKO-UHFFFAOYSA-N	232.298	4.928	0	10	BJAE	
C[C@@H](C[C@H](C)C1CCCCC1)c1cccc(N)c1	2027952534	CTYJPBOSFXTFRV-KBPBESRZSA-N	245.410	4.979	0	10	BJAE	
CC[C@H](C(C)C)[C@H](NC)c1cccc(C(C)C)c1	2028254131	DENIWLGYPPGOQJ-IAGOWNOFSA-N	247.426	4.753	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cccc(C2(C)CC2)c1	2028553937	FKRLXTHKBMCPFC-BBRMVZONSA-N	246.394	4.598	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@H](C)CCC(C)C)c(C)c1	2029825524	QIMQJQMLCMNENZ-DYVFJYSZSA-N	247.426	4.684	0	10	BJAE	
CC(C)[C@H](C)[C@H](O)c1ccc(C2CCCC2)cc1	2031747632	WPUQQUJPFFJOEY-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CC(C)CC1(C(=O)C2[C@H]3CCCC[C@H]23)CCCC1	2033487366	YDXHMHSQHAWMOU-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC1(C2CCCC2)CC1	2035421144	GDCCKGNKWYDRMQ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)C1CCCCCC1	2035595575	YHIKFHKEIUPUIC-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CC[C@H](NCC2CCC=CCC2)CC1	2036624512	ATIRRYYQCPOBTR-QAQDUYKDSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CN(C)[C@H]2CCC3(CCCC3)C2)CC1	2037684079	XGNYQUPYLDHDFQ-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H](c1nc2c([nH]1)[C@@H](C)CC[C@H]2C)C(C)C	2038000496	QVKRNXNQAROEHW-XQQFMLRXSA-N	248.414	4.950	0	10	BJAE	
CN[C@H](CC[C@@H]1C=CCCC1)CC1CCCCC1	2038164263	GAPBNWZBQATBRC-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](N[C@H]1C=CCCC1)C1CCC(C)(C)CC1	2040679334	AYKVSPATZBDSDS-HOTGVXAUSA-N	249.442	4.680	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2ccc(F)cc2)CC1	2041381473	ABZQHXMOGSIFCL-STQMWFEESA-N	248.341	4.615	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)[C@@H]1CC=CCC1	2042019155	LWYKJHDNRYSDOS-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@](C)(N)C1CC2(CCC2)C1	2043477585	IHJYCDPOGWFWOV-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](NC[C@H]2CCC=CCCC2)[C@H]1C	2045333135	WJYCILSSEJCOQC-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CCC(C)(C)C2CC2)C1	2045561207	DINHFRUEEJIBQG-GXTWGEPZSA-N	248.410	4.764	0	10	BJAE	
C1=CCC[C@H](CN2CCCCCCCC2)CCC1	2046560240	PFCDKKHXSTUBOM-KRWDZBQOSA-N	249.442	4.779	0	10	BJAE	
CCCCCC[C@@]1(CNC2CC2)CCC12CCC2	2047944608	ZSGHHZGQFXAISJ-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
N[C@H](C[C@H]1[C@H]2CCCC[C@H]21)C1CCCCCCC1	2048450684	BWYKJNPCMLTIAW-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048470462	QCHCOARQKJBETL-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(N[C@@H]2CCCC3(CC3)C2)CCC1	2049670973	ZQJFZDXLVHBSQA-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@@]1(C)C=CCCC1	2049999047	YUIFTDZSUODVFU-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@]1(C)C=CCCC1	2050007258	PNVRTSZEDDPBEA-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C(=O)C2CC(CC3CC3)C2)CC1	2050217074	OQIROLCNZYFJJX-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@H](O)CC2=CCCCCCC2)cc1	2050430071	KEKKXTJFEPRLJA-QGZVFWFLSA-N	244.378	4.699	0	10	BJAE	
CC(C)(C)C1CCC(C[C@H](N)c2ccco2)CC1	2050523481	UHTPAENOKBXXLD-RUXDESIVSA-N	249.398	4.522	0	10	BJAE	
CCCc1ccc(NC2CCC(C)(F)CC2)cc1	2053902158	HGSSUKIDYNVCMM-UHFFFAOYSA-N	249.373	4.722	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@@H](C)C2CCCCC2)CCC1	2055606475	CQVOAGPPRIDXJE-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H](C)[C@H]1CCCC(C)(C)C1	2055669936	QLNPMFWDNFMELD-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H](N)C2(C)CCC3(CC3)CC2)C1	2056552402	LCQBQYKUMLWOHW-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](O)C2(C)CCC(C)CC2)c1C	2056558764	KGBQGWGPGUJFQJ-PDOTXMHQSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](C=C1CCCCC1)NC	2056880481	AANALUBONXDZND-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1CCC[C@H]2C[C@@H]12)C[C@@H]1C=CCCCC1	2057358238	QZXZIMQGFMNJKM-AESZEHBQSA-N	246.394	4.518	0	10	BJAE	
CC=CCCC[C@](O)(CC)c1ccc(CC)cc1	2059223502	NSSQFFPSHRMKDX-QGZVFWFLSA-N	246.394	4.593	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H](CC)c1ccccc1	2059256180	NFKOSCOYVHDNLW-XQTSXYSPSA-N	245.410	4.515	0	10	BJAE	
CCN[C@@H](CC1CC(C)(C)C1)C1=CC[C@H](C)CC1	2060927493	YFRLTAQKAKXIPR-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](CC)CC1)C1(C)CCC1	2061083295	BJGKCHLPBYMKFJ-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1CCCC1)C1=CC[C@H](C(C)C)CC1	2061089279	RXEIQJPWZNFWMH-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)C1CCCCC1	2061089391	SPEAQDXLGHBDRB-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)C[C@@]12CCC[C@H]1C2	2061624009	VXQXYPHOPPSQSB-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](N)CC23CCC(CC2)CC3)C1	2065309032	WWEGFZVSDZFNJH-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
NCC[C@@H]1CCC[C@@H](CC23CCC(CC2)CC3)C1	2065339377	YZRYJDLNUDUNFN-VUROTCPHSA-N	249.442	4.502	0	10	BJAE	
OC1(C2CC=CC2)CCC2(CCCCCC2)CC1	2065885267	BXFLLIOJCWTFDS-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068767672	GAIFRGUKQXGDIA-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CC(C(C)C)C(C)C)c1	2068835810	FDXJFLGRLWPXKM-KRWDZBQOSA-N	247.426	4.622	0	10	BJAE	
CC(C)C(CC=C1C[C@@H]2CCC[C@H](C1)N2)C(C)C	2068947507	WEBWGHRLTMJDGO-IYBDPMFKSA-N	249.442	4.536	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C1(CC2CC2)CC1	2069518575	ZXODWVNVBFMVJK-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2072418734	VGVGXIIRSXVJHU-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CC[C@H]2C2CCC2)CC1	2072796124	LTMNXAVBIBOMOC-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H]1CC[C@H](C)CC1)[C@@H](N)c1ccccc1	2072799629	VNCUBCRYPOVJAI-KCYZZUKISA-N	245.410	4.539	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2C[C@H]3CCC[C@@H]32)CC1	2072874178	XSPZMXFOMFNNMF-MTERUZRBSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cc(C)c(C)cc1N	2073284345	COKSMFHDKPMLBX-CQSZACIVSA-N	248.414	4.656	0	10	BJAE	
CC(C)C(C=C1CCNC2(CCCC2)C1)C(C)C	2074133143	GFECNJDFXBKLQX-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@@]12CCC[C@H]1C2	2074645813	GFCZZXQNJIBZNV-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCCC3(CCCC3)C2)C1	2074888348	KAYKNSJWLRKING-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@H](NCC(F)=C(C)C)c1ccccc1	2076364209	RBTVNTXWRWQTER-INIZCTEOSA-N	249.373	4.771	0	10	BJAE	
CCCCN(CC[C@]12CCC[C@H]1C2)C1CCCC1	2076584754	IOBZMZVJCJZCBC-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@H]1C[C@@H]1CCC	2079441523	GAQYHTGIEHXQNM-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1(CCCC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1	2079484003	GZVGMPROWOCDLB-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CCc1ccccc1C(=O)C[C@H]1C[C@H]1C(C)(C)C	2079851279	KHQIHJNDFDQXQW-UKRRQHHQSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)c1ccccc1CC	2081208221	CBHVUCBLASIFRD-GOEBONIOSA-N	247.426	4.868	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CCCCC1CC1	2214558570	PRRGVTJZLUCBOC-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](CCCCC1CC1)CC(C)(C)CC	2214581903	OKNOONLLWHLTRK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](NCCC)[C@]1(C)CC=C(C)CC1	2215813996	PRSDQAFJNMWYFO-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC1=CC[C@@](CO)(C[C@@H](C)CC(C)(C)C)CC1	2215839686	XJYXLVLRTZFDDL-HOCLYGCPSA-N	238.415	4.558	0	10	BJAE	
CC(C)CCN(C)[C@H]1CCC[C@H](C(C)(C)C)C1	2216248392	WUFYKFASUWHDJQ-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCN[C@@H](CCCC(F)F)CCCC(C)(C)C	2216418084	BTQHIJLQGOKMJW-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)(CC)C(=O)C/C=C/c1ccccc1	2219089942	GYGCWAFKPNGALD-JLHYYAGUSA-N	244.378	4.875	0	10	BJAE	
C[C@@H]1C[C@H]1CCC1(N)CC2(CCC(C)(C)CC2)C1	2220877769	PHQVKMWRMSENFG-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccnc(C(C)C)c1	2220902276	PGFULBLALOEOAY-HIFRSBDPSA-N	246.398	4.586	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1(C)CC2(CCC2)C1	2221005792	ZEKVHAUIOCXKDJ-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CC1(C)CC(C)(C)C1	2221088823	SUSDNLUGVXUFOH-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1	2221643078	LYQMTHLZNXJNHL-MPTYRVRUSA-N	248.410	4.764	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)c1c(C)cc(C)cc1C	2222013967	NERZWNWTMHCKQT-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
O=C1CCCC[C@@H]1C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222913321	FELVPIBJTZRBCV-LVQVYYBASA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](CC2(CNC3CCC3)CCCC2)C1	2223549102	SDHQXYQJKNSBRD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCCC(=O)CC[C@@H](C)CCCC(C)C	2244869702	VSEDCTVIRLFQPN-AWEZNQCLSA-N	226.404	4.988	0	10	BJAE	
CCC[C@](N)(CC)c1cc(C)c2sccc2c1	2248579599	RPXBSAAPIMHEOL-OAHLLOKOSA-N	247.407	4.574	0	10	BJAE	
C[C@@H]1CC[C@H](CCCCCCC2CC2)N[C@@H]1C	2250225919	HFKVQFVBCPXWEF-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)CN[C@H](C)[C@@H]1CCC[C@H](C)C1	2250384145	ALIHMHIKUYQYDA-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H]1CCNc2ccc(F)cc21	2251635341	HBLQIELCGXDZPV-NSHDSACASA-N	235.346	4.551	0	10	BJAE	
CC(C)CCC[C@@H]1[C@H](O)C(C)(C)CCC1(C)C	2251708497	RDTIJMCXTPOLGE-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1CC(CC2CC2)C1	2254589417	BNOMSGTVWIADGD-SMOPSLFNSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(N(C)CCCC[C@H]2C[C@H]2C)c(C)c1	2254604985	AUVOPIHVJNTTRB-ZBFHGGJFSA-N	245.410	4.566	0	10	BJAE	
CN[C@@H]1CC[C@@H](C(C)C)C[C@H]1CC1=CCCCC1	2255137225	NOOZUGXPLBLDIY-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2CCCC23CC3)C1	2255229875	SPIVOPZNIZBKKK-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CCCCC[C@@H]2C[C@H]2C)C1	2257306830	JNZWGBSBMDRKEN-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
C[C@H](C(=O)C[C@@]12CCC[C@H]1CC2)C1CCCCC1	2260658008	MENKTHYJMOLTBU-QRTARXTBSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C)[C@H](O)c1cccc(C2CCCC2)c1	2260732245	WUDQDPDFTKBEHJ-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
C[C@@H]1CC=C([C@]2(N)CC(C)(C)CCC2(C)C)CC1	2261380999	KPRPFOQYQMFCIU-CXAGYDPISA-N	249.442	4.667	0	10	BJAE	
CC(C)=CCCC(C)=CCOc1ccccc1	2297628799	OSNYSUVPOZLCFR-UHFFFAOYSA-N	230.351	4.758	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@H](N)C[C@H](CC)C(C)(C)C	2298126331	VICLSCFOQWNAIL-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C[C@H](O)[C@H](C)CC1CCC1)C(C)(C)C	2298928259	ZSBQRUWIIKTQBF-YUELXQCFSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1(C2CC2)CCCC1	2300702996	ABODQXYSIWHXTQ-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	2300874979	QEXYPKOUWZTNAF-CZUORRHYSA-N	236.399	4.764	0	10	BJAE	
CC[C@H](C)c1ccc(NC2[C@H](C)C[C@H]2C)cc1	2300945690	UVLVFXNYJFOMAM-YNEHKIRRSA-N	231.383	4.657	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](N)CC1CCCCCC1	2301954438	ZTIOMWSLDUOXID-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)CCCC1=CCCCC1	2302342437	IPXICCNFBFUEQC-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CCC(C)=CCN(C)CCCC1=CCCCC1	2302344088	AVMYAZLYUHSQHU-UHFFFAOYSA-N	235.415	4.555	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCCC1(N)CCCCC1	2302565301	DKMSLYDIBUOUIO-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@H]1CCC(C)(C)C1	2302752273	CBOCZMXTXMQUML-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1CC[C@@H]1C(C)(C)C	2303507845	HRRZYMSYHSXCCJ-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)c2ccsc2C)CC1	2303526617	YYBIVUBYRJGQMQ-HIFRSBDPSA-N	249.423	4.583	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@@H]1CCC(C)=C(C)C1)NC	2303593997	BGPOESLTACEJGC-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CC(O)(CC[C@@H]2CCC(C)(C)C2)C1	2304384256	MDMLGEYPQUENCO-JEYLPNPQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(O)CCCCCC1(F)F	2307835937	URFDWNMITAKOJN-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCC12CCCC2	2307879130	QHWPFUUEOMRRRR-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC1(CN[C@H]2CC[C@@H]3CC[C@@H]32)CCCCCCC1	2309539671	DHLHQPMBZGIYIC-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(CC[C@@]23CCC[C@@H]2C3)C1	2310388180	USUFTPJOOAAEBC-ABFRBSLYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	2310426563	FZSXNCMUHASRIE-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@]12CCCC[C@@H]1C2)C1(C)CCC1	2311148108	QUKLHYZQZYQKFP-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311608829	ASJXOQGPNANHEJ-CRNXPOROSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@H]1C[C@@H]2CC[C@H]1C2	2312952004	ZGOSDTQJJXODHR-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@H]1CCCC12CC2)CCCC(C)C	2316489156	DKANXLMIPQCESJ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1ccc(C(C)(C)C)cc1	2316532936	UIKBEMDIWFCYBK-MRXNPFEDSA-N	246.394	4.764	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@@H]1CCC[C@@H]2C[C@H]12	2316537565	SLADLOWMHSPRLW-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316877897	JJDCWUDIYLJDLU-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(NC[C@H]2C[C@H]3CCC[C@H]2CC3)cc1	2316881073	MXHUDMQROVILQA-HRCADAONSA-N	243.394	4.623	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317159869	XRFOCSJHBUEWPV-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@H](C)[C@H](C)C(C)C)c1	2317628620	BJUXDZHYEHGVCK-OAGGEKHMSA-N	247.426	4.635	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CCC1=CCCCC1	2317962527	MVHWULOVKPKBQY-QGZVFWFLSA-N	249.442	4.992	0	10	BJAE	
CC(C)(C[C@@H](N)CCCC1=CCCCC1)C1CC1	2318577241	VZCHOFOOQFWKTR-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@H]1C)C1=CCC(C)(C)CC1	2318937240	XNCUDKTYFWLNFC-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NCC[C@H]2CC[C@@H]2C2CC2)c(C)c1	2319737457	ATCLJQCZINXHHM-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC[C@@H]1CC[C@H]1C1CC1	2319750563	SIYCBPQZJVIWDB-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1NC1CC2(CCCCC2)C1	2320148614	GYABXJNGCIMLAL-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CC[C@@H]2C(C)(C)C)cc1	2320153314	DRMVRNXEJOZPTE-GJZGRUSLSA-N	244.378	4.504	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](O)c2ccc(C)cc2)CC1	2320336050	FEEKJPHKQBLMTB-WBVHZDCISA-N	244.378	4.555	0	10	BJAE	
CCc1cc(F)cc(N[C@H](CC)C2CCCC2)c1	2321088813	FCZJPYGCPLSLFO-MRXNPFEDSA-N	249.373	4.769	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](CNC)c1ccccc1	2328189334	IISNFMNXXHNMMS-WBVHZDCISA-N	247.426	4.596	0	10	BJAE	
CCC[C@@H](C)CNc1ccc(Cl)c(Cl)c1	20016069	BNUCCQPGESQIGD-SECBINFHSA-N	246.181	4.842	0	10	BJAE	
CC(C)(C)c1ccc(NC2CCCCC2)cc1	21501757	XBXFWBRBHULCES-UHFFFAOYSA-N	231.383	4.729	0	10	BJAE	
Cc1ccc(CNc2ccccc2C(C)C)s1	22147868	FLOKBOGYLJGQPR-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](N)CC2CCCC2)cc1	22150328	GBBYGXNQJJQDOP-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
Cc1ccc(C(=O)CCC2CCCCC2)s1	36942660	HHDWZVCMOZCUDS-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCCc1ccccc1N[C@H](C)c1cccs1	36974612	VQWPQJLMRXIYQR-GFCCVEGCSA-N	245.391	4.874	0	10	BJAE	
CCSc1ccc(-c2ccc(NC)s2)cc1	41144579	WODSIBVSPJBSAF-UHFFFAOYSA-N	249.404	4.569	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)c1	68610936	DFGOSCPMCONTSN-IVMMDQJWSA-N	231.383	4.540	0	10	BJAE	
CCN[C@H](c1cc(CC)ccc1CC)C(C)(C)C	70989770	JZOPVFYDJPDPNB-MRXNPFEDSA-N	247.426	4.508	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](CC2CCCC2)C1	80415322	JIEJQDDXHPAYFF-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccc([C@H](C)NC[C@@H](C)C(C)C)cc1	81047320	UHAHQYVCUHGWAK-CABCVRRESA-N	247.426	4.582	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H](C)c2cc(C)ccc2C)C1	83829008	BBIDOZQACDGVIK-ARFHVFGLSA-N	245.410	4.533	0	10	BJAE	
CCCN[C@H](C1CCC(CC)CC1)[C@@H](C)CC	85081033	RWPLVDQYVCIWEL-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2C[C@@H](C)CC[C@@H]2C)c(C)c1	85098716	PNHDZVGFNUIMMY-DETPVDSQSA-N	245.410	4.848	0	10	BJAE	
CCc1ccccc1OC1CCC(CC)CC1	85151182	LWFKMORBIPZHKN-UHFFFAOYSA-N	232.367	4.597	0	10	BJAE	
Clc1ccc([C@H]2CCc3ccccc3N2)s1	87337382	KWNZATUGKPRQGL-LLVKDONJSA-N	249.766	4.501	0	10	BJAE	
CCCC[C@@H](NCCC)C1CCC(C)(C)CC1	87943655	GTICKJKQIUVKQQ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
c1ccc2cc(CNc3ccsc3)ccc2c1	90866369	RZUDUBCVHBRDNS-UHFFFAOYSA-N	239.343	4.513	0	10	BJAE	
CCCCCC[C@@H](O)c1cccc(C2CC2)c1	94522891	YCQYKXNCLPRKNN-MRXNPFEDSA-N	232.367	4.568	0	10	BJAE	
Cc1ccc([C@@H](N)C2(CC(C)C)CCCC2)cc1	94899529	PNORQEJZMAYGGX-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CCc1ccc(/C=C\c2nc3ccccc3o2)cc1	97993372	UQABLKDGUUWMQM-QXMHVHEDSA-N	249.313	4.561	0	10	BJAE	
CCC1CCC(CN[C@H](C)c2ccccc2)CC1	109917990	QFGHPUGHKABGAU-QQFBHYJXSA-N	245.410	4.554	0	10	BJAE	
CCCCC[C@@H](O)c1cc(C)c(C)cc1Cl	122243112	SWUGXRAVVZCWHG-CQSZACIVSA-N	240.774	4.571	0	10	BJAE	
CC[C@H](N[C@@H]1CCC(C)(C)C1)c1ccc(C)cc1	124979625	IWXACZDPASWVRM-CVEARBPZSA-N	245.410	4.614	0	10	BJAE	
CCCCCC[C@H](CCC1CC1)NCCC	129952408	LNGJUWZZRHZCOD-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCC(CCC)C(=O)c1cc(C)cc(C)c1	164145595	JVXCCVCMXQDOPQ-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CC[C@@H](C)C[C@H](O)c1ccc(C(C)(C)C)s1	166226238	GDFOTQQAWFCKAN-MNOVXSKESA-N	240.412	4.515	0	10	BJAE	
CCCCC1CCC([C@@H](O)CCC(C)C)CC1	168279536	LOVRZYUBOAJEOY-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](NC)[C@H]1CCC[C@@H](C(C)(C)C)CC1	219276367	MCNXAKQWSAYFOA-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCCCC1(C)C	226795807	ZMVDCTCROIIYOK-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CC(C)=C[C@@H](C)C1	232952984	IUYVSRFAWMPYTE-KBMXLJTQSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@@H](C)C(C)C	233538957	FYFIJBGFIZEWOE-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@H](C)NC(C)C	251265897	CHHYLUGQKVWJDK-KKUMJFAQSA-N	227.436	4.616	0	10	BJAE	
CCC[C@H](NCC)[C@@H]1CCCC[C@H]1C(C)(C)C	251311516	KKXYGHBEWYZDFF-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	253193730	PBIJFYMKHLAGDP-FOLVSLTJSA-N	244.378	4.558	0	10	BJAE	
C[C@@H](c1ccccc1C=O)C1CCCCCC1	258274368	CBXIGVIFVAHKRH-CYBMUJFWSA-N	230.351	4.573	0	10	BJAE	
CCCCCCC(=O)CCCC(C)(C)C	300784175	BRQICCMJHLKEMO-UHFFFAOYSA-N	212.377	4.742	0	10	BJAE	
CCCC[C@H](C)[C@H](CC(CC)CC)NCC	300921937	LIKKKBCRHGMSCZ-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CCC1CCCCC1	302248606	JSLULNZPNJAZDC-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1c(C)cc(C)cc1C	304192742	CETUIPILGAVXBO-GFCCVEGCSA-N	232.367	4.621	0	10	BJAE	
CCCN[C@H]1CC[C@@](C)(CCC2CCCC2)C1	305943404	LWBFKONTLNLCIH-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@](O)(C1=CCCCCC1)C1CCCC1	313463304	JKFAZSKXLDPJJC-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](CC)C1CCC1	322563069	RKZAYQGHUMLNKK-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)[C@@H](C)CCC	379763845	GHSXIAXPTQOLFX-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CC2CCC1CC2	382186050	YIGQLHAERMPLFL-FJBKBRRZSA-N	237.431	4.514	0	10	BJAE	
CC/C=C/CN[C@H](C)c1cc2ccccc2s1	384731203	JPJABISSTAOTAN-RPTYSRGTSA-N	245.391	4.518	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC1(C)CCCC1	395159190	SAEDOYVRHLWXDS-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCc1cc2c(S)csc2cc1C(F)F	396241674	LVEMHCVDUKDJMQ-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
COc1csc2cc(C(F)F)c(Cl)cc12	396296807	VOFNUPKXKYIZTM-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
Cc1csc2ccc(S)c(C(F)(F)F)c12	396310206	ULFHZPPBAVCQES-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@H](C[C@@H]2CC=CCC2)C1	402379591	XMVQZUXPZXATEO-VQHPVUNQSA-N	249.442	4.524	0	10	BJAE	
Cc1c(Cl)ccc2c3c([nH]c12)CCC(C)(C)C3	527404126	CUPKXFXVJTUMCL-UHFFFAOYSA-N	247.769	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@@H](C)CC(C)C	691183692	GRUYVZMHPSHUDG-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)CC1(CNC2CC2)CC2(CCC2)C1	691486083	SOCSMGWBFVMPRV-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](C(=O)O)C1CCCCCC1	694637412	OGOPUGYJDGWYPD-CQSZACIVSA-N	240.387	4.628	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCCC2(C)CC2)CC1	698177376	SFZPKDPNKMIJAE-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	699049281	GYJQYNRZMJEPDC-DSJMHWKBSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CCC)CCC(C)(CC)CC	701153405	BEMXHZACFXTMHD-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NCC2=CCCC2)CC1	702332607	IHINPZSQPMWCIS-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)CC1CCCCC1	704471608	JBWUBCWZZUUWNQ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CC2CCCCC2)C1	704887730	GTSWDJKDNKUSTO-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CCNC(C)(C)C)C[C@H](C)CC(C)(C)C	709076186	GBJDKYFOXJLRNQ-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H](C)CC(C)(C)C	709095174	DKQVFRPCXNRBQW-LBPRGKRZSA-N	233.399	4.788	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H](C)CC(C)(C)C)c1	709106663	FLHNYMWSSXCBGE-AWEZNQCLSA-N	234.383	4.755	0	10	BJAE	
C[C@H](CN[C@@H](C)C1CCCCC1)CC(C)(C)C	709133108	YUEZOXYLIYKUFL-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)C[C@@H](C)C(C)(C)C	710724029	LZFPOLDIHSSRNU-DVOMOZLQSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](Nc1csc(C)c1)c1ccc(F)cc1	710729913	VJCCAAUFSGYREN-AWEZNQCLSA-N	249.354	4.759	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@@H](C)C(C)(C)C	710743991	IFHXXHIVOKDEKH-RDBSUJKOSA-N	228.420	4.636	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)C[C@@H]2CCCC[C@@H]21	712414224	IIFWQPJVVUIYGF-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)CC(C)(C)C(C)C	713142303	IPOQZMGHWVDGGS-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(CC(C)(C)C(C)C)C(C)(C)C	713193933	MIZUVLPSPYOESD-OAHLLOKOSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)C[C@@](C)(O)CC1CCCCC1	713200784	WLHZMFOLYFVYHO-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@](N)(CC(C)(C)CC)C1CCCC1	713246198	DUPVABUJNMTTKH-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
C=C/C=C\CCC(=O)c1cc2ccccc2s1	713675292	QHGCBHOZWCEBLE-ARJAWSKDSA-N	242.343	4.606	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)c1cc(C)c(C)s1	713689207	YEHQJKMERFNDLY-NPQIQWPPSA-N	249.423	4.538	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)c1cc(C)co1	718473427	OSAMNIQUMKMVOM-HNNXBMFYSA-N	249.398	4.765	0	10	BJAE	
C[C@H]1CNC2(CCCCC2)[C@H]1CC1CCCCC1	721027340	GAXAMVOGWOHACS-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cc(Cl)ccc1OC(C)(C)C	829085465	BFXJEGPCXUKBLP-UHFFFAOYSA-N	226.747	4.641	0	10	BJAE	
Cc1ccc(CSc2ccccc2C)cc1C	1188659394	BQFLDCURFHGMEK-UHFFFAOYSA-N	242.387	4.904	0	10	BJAE	
c1ccc(SC[C@H]2CC3CCC2CC3)cc1	1559327585	LLXMPCZQQSJCAW-JXQTWKCFSA-N	232.392	4.605	0	10	BJAE	
CCC(CC)SC[C@@H](C)C(C)(C)C	1643686732	FOWNYTXLKHNSET-SNVBAGLBSA-N	202.407	4.590	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@H]2CCC3(CC3)C2)C1	1876380364	PFIPIKFHUITEBR-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CC[C@H](CC)CC1	1900902061	ZVTRXMJUTGULPN-HDJSIYSDSA-N	222.372	4.518	0	10	BJAE	
FC1CC2(C1)CC(C[C@H]1C=CCCCC1)C2	1903356663	SHFSOTAENRFZMR-NAOUJUTFSA-N	222.347	4.651	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCC(C)C)NCC	1905435628	SLHKQTFPNKXKAX-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](O)(CC)c1ccc(C2(C)CC2)cc1	1919476153	PJLBCXOZMQULDZ-QGZVFWFLSA-N	246.394	4.526	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2CCCC23CCC3)C[C@H]1C	1921610704	PMJPCHPYNFQUKO-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(F)c(C(=O)[C@H](C)C2CCCCC2)c1	1924096463	DDWPTZRFBXWTGR-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C=CCCCC2)C1	1925797635	JFYLPEGUJZLZHX-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)[C@@H]1CCC(C)(C)C1	1925916171	SSICGPIURODMOV-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
FC1(F)CCC[C@@H]1CCC[C@H]1C=CCC1	1932593465	SEVFVMADGUAWAF-RYUDHWBXSA-N	214.299	4.558	0	10	BJAE	
CC(C)c1ccccc1CCC1=CCCC1	1935745731	VFCWWRVVQAQFSW-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CCCC1(NCCCCCC(C)C)CCC1	1937794086	IMPPJSDUFPOBNQ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
Cc1cscc1N[C@H]1CCCc2ccsc21	1938568417	CACDRPNAAROWTG-NSHDSACASA-N	249.404	4.608	0	10	BJAE	
CC1(CCCC(=O)C2CCCCCCC2)CC1	1940880138	GIZFVWHSNWQJIS-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(C)(C)c1csc([C@H]2CCCC3(CC3)C2)n1	1941225322	DALOPXVTTMBXAC-NSHDSACASA-N	249.423	4.878	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CCCC1(C)CC1	1941687405	KBMRRSKZNWRSEN-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC1([C@H](NCC)[C@@H](C)CCC(C)C)CC1	1942653850	VGNRGOUCMBXTOL-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC(C)C)C1(CC)CC1	1942654168	YAUPCGWKKWTKIM-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)CC1(O)CCC2(CCC2)CC1	1944601006	ZGOUPGVLUVAOSF-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H]1CCC1(C)C	1945742017	JOUFCCMUSMNRKD-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCCC)[C@@H]1CC1(C)C	1945823185	ITPMWKXUMPUHJD-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@]1(N)CCCCCCCC1(F)F	1947522930	IEFTVFASTUTKOU-ZDUSSCGKSA-N	247.373	4.644	0	10	BJAE	
CC1(C)C[C@H]1CNC1CCCCCCCCC1	1947881043	KDDTYGIEHNTZKA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@@H](C)C1CCCCC1	1948926140	ZOSOQSZXULNPHB-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CC1(CC)CCC1	1948979499	PDRBJTFBADSYSO-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC(C)(C)[C@H](O)C1	1949683453	SMLFDGMHUACZGV-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@H]1CCC2(CC2)C1	1950241700	GZQUWMVVMDONFE-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@@H](O)[C@H]1CCCC(C)(C)CC1	1950915365	ZVLTXTXCPFQMIC-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1ccc(Cl)c(Cl)c1	1959209044	MXUMODRVGHJJEO-UFBFGSQYSA-N	244.165	4.594	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCCCC[C@H]2C)C1	1963183055	PUDBFDXZSVNMDD-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)N(CC)CC1C[C@@H](C)C[C@H](C)C1	1964142959	XBHQRBREJBKBAB-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCCc1ccc(NC2CC(C3CCC3)C2)cc1	1968426139	LNIPLVISFQHKAU-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H](NC[C@H]1CCC2(CC2)C1)C1CCCCC1	1969164690	GPNARJWSMHVSAT-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CN1CC(C)(C)CC[C@@H]1C)CC(C)(C)C	1970779587	FANYRTFOQUJUIJ-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCCc1csc([C@H]2CCC[C@H](C)CC2)n1	1976351814	ZJLXOGMPKOVUHL-RYUDHWBXSA-N	237.412	4.779	0	10	BJAE	
CCCCCC[C@@H]1CCCCCCCC1=O	1980319341	PCOZEDGSDUHMQJ-CQSZACIVSA-N	224.388	4.886	0	10	BJAE	
CCCN[C@H]1CCCCCCC[C@@H]1CCC	1980351517	OMQZEOCKZNIBSC-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CCCCCN(CCC(C)(C)CC)C(C)C	1990873344	OOMWEJFPUPDWBF-UHFFFAOYSA-N	227.436	4.713	0	10	BJAE	
CCCCc1ccc(CC2=CCCC2)cc1	1992375569	QNJSLIASLWBAOB-UHFFFAOYSA-N	214.352	4.682	0	10	BJAE	
CCC1(CN[C@H](C)C2(C)CCCCC2)CCC1	1995990796	KEDZUQPVRBVIOS-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](O)(CC1(C)CCCC1)C1CCCCC1	1996547028	MRQHCWWPYOOEMZ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC1C[C@H](C)C[C@@H](C)C1	1996611425	CGFAEICESNELEE-UMVBOHGHSA-N	239.447	4.602	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1CCC[C@@H](CC)CC1	1997102154	CVAQRXTYPSAVTN-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](N[C@@]2(C)CCCCC2(C)C)C1	1997430290	WKIHGPXDIQUCBR-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1CCC=CCCC1	1999989244	YFQIBEQFHUZUBD-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CC1(C)CCC(N)([C@@H]2CCCC(C)(C)C2)CC1	2000061155	BUYODFKLZOQJLT-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCCCN1[C@H]1CCCC(C)(C)C1	2000156426	YWGGUQQEWNSGJZ-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1CCC=CCC1	2000211891	PXPNUSHKEFJIII-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CC1(C[C@@]2(N)CCC[C@H](C(C)(C)C)CC2)CC1	2002513779	DSPHJKOAWMZDNV-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](C)(O)C[C@]1(C)CCCCC1(F)F	2002585226	AFUOFCKKZUNOEM-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNCC)CCCC(C)(C)C1	2002991020	OIHBWTOOHCHVES-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@@H]1CCC2(CC2)C1	2003271859	AEOICJWCQUIQJK-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC1(C)CCC(O)(CC(C)(C)C(C)C)CC1	2004338777	HVKXRBAYEWXGDL-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CCCCC1(C)C	2005585048	BNWZLPRFPTXPRJ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(C(=O)[C@H]2CCC[C@@H]2C)CC1	2006728298	TXTCOKZOJJDHSK-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](C)C2CCCCC2)CC1=O	2006946027	IAXLAOKPVKSUBX-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@H](C)CCC	2007942582	KHXZCOGLURQEQH-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccc2sncc2c1	2008091332	PWZPYAKTNNYIKR-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H](C)CCCC	2009598762	RKHRUMDTRGDRJL-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CC=CCCC[C@H](NCC)C(CCC)CCC	2009618275	AKQXDBKUTWHIHN-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CC[C@H](CC)C1	2009634603	HWGKKGKMGFLHOW-VUSXOHGVSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](N)(CC)C1=CC[C@@H](C(C)(C)C)CC1	2010728741	IHXHPMYXGKGODV-CJNGLKHVSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CCC(F)(F)CC	2013310924	DJMRAOPACKPUGV-ZDUSSCGKSA-N	249.389	4.568	0	10	BJAE	
CCCCC(C)(C)NCC(C)(C)C(F)(F)CC	2013527339	BNYNLIONTLGCKS-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)C[C@H]1CCC=CCCC1	2014845410	FHYDHVMNVCTXHL-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)[C@@H]2CCC2(C)C)c1	2014903487	STVKIYGDXHCFAK-KBPBESRZSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@@H](CC1(CCC)CCC1)NCCC	2015641572	GTRLRJXVTAGTBB-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H](CN[C@@H](C)CC1=CCCCC1)C(C)C	2016107838	ZJNOOOBNRPTNSA-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CNCC1(CC(F)=C(C)C)CCCCCCC1	2017465202	DWBAVIMGFORCSQ-UHFFFAOYSA-N	241.394	4.590	0	10	BJAE	
CC[C@@]1(C[C@H]2CC[C@H](C)CC2)CCCCCN1	2017720533	HFESAFLCYQBXAW-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)Nc1cc(F)cc(F)c1	2018128215	XHSZCXVYHYBDDB-ZDUSSCGKSA-N	241.325	4.736	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@H]1CC[C@@H](C)C1	2019192036	IKSODRAXAVVERJ-PMPSAXMXSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CCC[C@@H](CCC2CCCCC2)[C@H]1N	2020358079	CUKFNFQQZRSUAL-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1CCCCCC1	2020965277	KTKRHYATQZQVQK-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC=C(CC)[C@H](NC)c1csc2ccccc12	2020970444	XMQGOSCEKNZLEN-HNNXBMFYSA-N	245.391	4.518	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)CCC1CCCCC1	2022556680	IBDGDXYEBZSDBH-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CCC)Cc1ccccc1C(C)C	2027464888	FNSMXCWWFPDBRI-INIZCTEOSA-N	247.426	4.521	0	10	BJAE	
CN[C@H](CCCC(C)C)c1ccccc1C(C)C	2027517664	JGSUMNBQJZADSM-QGZVFWFLSA-N	247.426	4.897	0	10	BJAE	
CC[C@@H](NCCC[C@@H]1CC1(C)C)c1ccccc1	2027823238	VPKOXZPRSXDROC-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)c1coc2ccccc12	2028256578	AUYUQVSODVPBRM-WBMJQRKESA-N	245.366	4.505	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)c1cccc(C2CCC2)c1	2032269399	TVSLPOXPKSINKJ-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC2(CCCC2)C1	2034371452	QCOGCVBROPNMFG-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC(C)(CC[C@]1(N)CCCC[C@H]1C1CC1)C1CC1	2037160796	OKAHEFILPHNPHU-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)c2ccccc2C2CC2)C1	2037980441	YCSIHVWXZLARMZ-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CCCNCC1(CC2CCC=CCC2)CC(C)C1	2038891479	SWTLEGUKVGQOEQ-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(NC[C@@H]2CC23CCCCC3)c1C	2039057207	CTAYHZDLRCGQKJ-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
C[C@@H](NC[C@H]1CCC2(CC2)C1)C1(C)CCCCC1	2039860286	UNXFSFMKQSZDFY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1N[C@@H]1CCCC2(CCCCC2)C1	2040763612	RSCKENMMMLEZMP-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C2CC3(CCC3)C2)CC1	2041385844	FZHNTIBJZPXUOB-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
C[C@H](CNC1CC1)[C@H](C)C[C@H]1CCC=CCCC1	2045328487	FPFAGAFJIHWAAE-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
Cc1oc2ccccc2c1C(=O)CCC1CCC1	2045586304	XYUKRDSZQAWBIO-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)C1CC2(CCCCC2)C1	2046329835	ZADVMXOUDAFGSX-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCN(CCCC2(C)CC2)c2ccccc21	2046578945	JVLZROWTYABRSQ-CQSZACIVSA-N	243.394	4.581	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@H]1CC12CCCC2	2047063563	XHPLGTQJFRISEX-AWEZNQCLSA-N	239.362	4.530	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21)C1CC1	2047424437	LAQADWRBGBFEMB-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
O[C@]1(CC2CC=CC2)CCCCC12CCCCC2	2047587468	SAFBJOUILFIPBW-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C[C@H]2CC23CCCC3)C1	2049527446	BZUPADZOMADAQQ-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@H]1C[C@H]1C=CCCC1	2049707152	GFPYHORBDVKPHJ-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@@H]1CCCC2(CC2)C1	2049851646	BYMSGUZKQMQSSS-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C[C@H]1CCC2(CC2)C1	2049861638	DPARZUXKLZHQAQ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@]1(C)C=CCC1	2050005966	JVXQXFCUPUHMET-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCC1CCC(C[C@@H](O)c2cccc(C)c2)CC1	2050425866	KOVLEXGYZJFADN-VMBOVVBDSA-N	246.394	4.635	0	10	BJAE	
CC1(C)C[C@H]1CCCCC(=O)c1ccccc1F	2050494586	KRHVHYILIWVLPF-GFCCVEGCSA-N	248.341	4.615	0	10	BJAE	
C[C@@H](C[C@@H](N)C1(C2CCC2)CC1)C1CCCCC1	2051909139	ATIJEUSBCGDOGI-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C1(C)CCC1	2052354801	WUWIMNLINGGILV-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](c1ccco1)C1(C)CCCCCCC1	2052476273	UGBOWXAYKIHTQG-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC2CC2)CCCC12CC2	2053352356	BHEQDJMRTACHGZ-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
F[C@@H]1CCCC[C@@H]1Nc1ccc2ccccc2c1	2055158562	HCQGSLIHEFIZMU-CVEARBPZSA-N	243.325	4.532	0	10	BJAE	
C[C@H](N[C@H]1C=CCCC1(C)C)[C@H]1CCC[C@@H](C)C1	2055536954	RACBZFOFTRGABO-UGUYLWEFSA-N	249.442	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(CF)cc2)CC1	2055678638	SYJNZFAOAZOMGC-UKRRQHHQSA-N	249.373	4.927	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C1(C)CCC2(CC2)CC1	2056538918	BYZXUHKJUMANIK-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC(C)C1CC(CN[C@H](C)CC2=CCCCC2)C1	2056726154	SYXSPAUFQOAKDQ-ODIFPOPNSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C2CC(C3CCC3)C2)CC1	2057487698	AJBYZXBQPOZKOL-LYAPFXNSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@@H]1CCCC12CC2	2059170672	ABWTZWSMZIRVCB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1cc(F)ccc1C	2059225011	IKUQQZVQEYIZQH-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCc1cc(Cl)c(C(F)(F)F)c(Cl)c1	2060076664	NPYREOJVWOAYRX-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(N)C1=CC[C@@H](C)CC1	2060912999	IMATXBYOQZQZOR-TXCZRRACSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC[C@H]([C@H](N)C2=CC[C@@H](C(C)(C)C)CC2)C1	2061093490	YBLBVDHOTNMSFF-SLBVQIDZSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)C[C@@H](C)C[C@@H](C)C2)CC1	2061123180	VSFCURPZMPGUSP-JYYAWHABSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](CC1CC(C)(C)C1)C1=CCC(C)(C)CC1	2061147626	PERKCCNYNDXSIU-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@@]1(CNC(C)C)CCCCC1(C)C	2061563290	NJBVRWNFPJXCGW-KRWDZBQOSA-N	249.442	4.692	0	10	BJAE	
C=C=CCC[C@]1(CNC(C)(C)C)CCCC[C@H]1C	2061566168	JWZYVSKWURVXSJ-NVXWUHKLSA-N	249.442	4.692	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC[C@]23CCC[C@@H]2C3)CC1	2061574270	FNSQVDLNXAOICA-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@](C)(N)CC[C@]23CCC[C@@H]2C3)CC1	2061615832	HTRZVVOFVYKXPX-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(CC1CC(=C2CC2)C1)C1CCCC1	2061672637	UAZRTWANMTYUKQ-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
C[C@@H](CC(=O)CC1CC(=C2CC2)C1)CC(C)(C)C	2061696362	OSAQHLWXIUFOPA-LBPRGKRZSA-N	248.410	4.908	0	10	BJAE	
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N[C@H](CC1CCCCC1)C[C@@H]1C[C@@H]1C1CCCC1	2079634050	RDFYGFRAWRLRDW-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
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CCCN[C@@H](C(C)(C)CC)C(C)(C)CCC	2212117957	CESPNDIJPVRNPK-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](CCCCCCCC1CC1)C(C)=O	2212441991	GBXKAMAWFYSDNF-OAHLLOKOSA-N	224.388	4.742	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)CCCCCCC1CC1	2213583181	PIUYRIOOXTWLOY-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C(C)(C)C(C)C	2214566474	XAOZWUYMSLUVLT-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](N)CCCCC1CC1	2214570947	UCNWBSUTKJCJMR-HOTGVXAUSA-N	239.447	4.602	0	10	BJAE	
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Cc1cc(C(=O)C2(C)CC3(CCC3)C2)c(C)s1	2215379807	UNCDJULZBLQCKE-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
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CC(C)(C)CCNCCCCCCCC1CC1	2216883031	GCRCHNVVDUTKMR-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](CN[C@@H](C)CC)C[C@H](C)CC(C)C	2217154334	STYWONQDKLLJEH-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218325452	PERYHTYDYOBHLN-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CC1(CCCC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218330966	CPFYJRVTVZCVTH-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
O=C(CC1C[C@H]2CCC[C@H](C1)C2)C1CCCCC1	2218337837	ZPPIOOMIYXDYFF-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)[C@H](NCCCCCCC2CC2)CCC1	2218724984	KCANAUPZNPWVFP-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C(CCC[C@@H]1CCC2(CCC2)NC1)CCC1CC1	2218726932	PFNIHKFMCNWZKS-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCC[C@](N)(C/C=C/c1ccccc1)C(C)(C)C	2219089651	DRJDJXXNMVGIML-KQPPXVQYSA-N	245.410	4.634	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2220299795	CJYYZGLQFJSOKK-ORQFMDKSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)C23CCC(CC2)CC3)C1	2221028079	MOQQFJHFHARMGM-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C1CCCCCC1)[C@@]1(C)CC=C(C)CC1	2221621032	CIDAOWWGKORLLO-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@H](C(C)(C)C)C1)c1ccco1	2222254936	DLPHPRXXZJQVLR-IHRRRGAJSA-N	249.398	4.535	0	10	BJAE	
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CCC(CC)C[C@H](NC)[C@@H](C)c1ccc(C)cc1	2223967496	FFGNCIFFSDSWPX-YOEHRIQHSA-N	247.426	4.513	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)c1csc(C2CC2)c1	2248074909	UYSZIZFMBHOPQZ-GFCCVEGCSA-N	248.391	4.635	0	10	BJAE	
C[C@H]([C@@H](N)CCCCC[C@@H]1C[C@H]1C)C(C)(C)C	2248841755	OZHQVYRAJGZWMC-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CCC1([C@@H](N)CCCCC[C@H]2C[C@H]2C)CCC1	2248842657	RSBPOLHBHJFPMW-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)CCN(C)CCCCC[C@H]1C[C@@H]1C	2248846166	YTYUSTYLJQKFFH-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
CN[C@@H](CCC[C@@H](C)CCCC(C)C)C(C)C	2250479104	PVVUKGYCUYIRMR-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCCCCN(C)CC[C@@H](C)CCCC(C)C	2250515264	XGSYADVQKKUOHC-INIZCTEOSA-N	241.463	4.961	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](F)(CN)C(C)C	2250529060	ONWUPANIUUFLCO-LSDHHAIUSA-N	245.426	4.552	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@@H](N)CC[C@H]2CCCCC23CC3)C1	2253861619	FSBALEGDZHLIQY-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
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CC1(C)C[C@@H](CCC[C@@H]2CCCCC23CC3)CN1	2253891357	VZBSUYQFFVZNHV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC2(CC3CC3)CCC2)C1	2253951193	JOKKHEYFXKPVIW-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CCC12CC3CC(CC(C3)C1)C2)C(C)=O	2254020243	KLRQEYAAYAYECE-KLZNEWFBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)CC1CC2(CCCC2)C1	2254121475	CPJWNTTXTMUSRH-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(NC2CC3(CC(F)C3)C2)cc1	2254508363	LZIUQKLNBHDJLZ-UHFFFAOYSA-N	247.357	4.503	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CC)C[C@H]1CC1=CCCCC1	2255091038	GHVJAUFXFYOKHL-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc(C(=O)CC(C)(C)C(C)C)cc1	2256240983	YETIMBLIQWTLNL-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
Cc1ccc(C)c(NCCCCC[C@@H]2C[C@H]2C)c1	2257324513	OBRXCFMSZBMAGW-HZPDHXFCSA-N	245.410	4.932	0	10	BJAE	
CCNCC1(C[C@@]23CCCC[C@@H]2CC3)CCCC1	2260678958	OHJSEOBEJQBKOO-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC[C@H](C[C@H](N)[C@@H](C)CC1CCC1)C(C)(C)C	2298878318	KBODMWIJZWXYIU-CFVMTHIKSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@H]1CC12CCCC2	2300472009	NCKSNMLKTYGSHC-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@H](C)[C@@H](C)CC1CCCCCC1	2301237135	TUUBMMOUSUGDAT-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Oc1cccc2sccc12	2301838973	GIAIUAFJIXXERM-VXGBXAGGSA-N	248.391	4.961	0	10	BJAE	
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Cc1cscc1C(=O)CCCC1=CCCCC1	2302350719	ATKNVCDLBUZXTL-UHFFFAOYSA-N	248.391	4.910	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CC[C@@H]2C(C)(C)C)CC1	2303395222	QIKWWMVWRAJAPK-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
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CCC[C@@H](CC)C[C@@H](N)C1CCC(C)(C)CC1	2307824578	WYMSXWRKVAICBR-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@H](Nc1ccccc1F)C2	2308400119	JICAYFFYCCEHKK-WWGRRREGSA-N	247.357	4.597	0	10	BJAE	
CCC[C@@H](N[C@H]1C[C@@H]2CCCCCC[C@@H]21)C1CC1	2309184597	ILZCWJHMOJDSIA-NXOAAHMSSA-N	249.442	4.514	0	10	BJAE	
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C[C@@H](CC1CC1)[C@@]1(N)CCCC2(CCCCC2)C1	2313659526	MTHQFRDCARKNCQ-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCc1cc([C@@H](O)C(CC)(CC)CC)ccc1C	2314713998	WYMXVNWLHHNQFK-MRXNPFEDSA-N	248.410	4.807	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@]12CCCC[C@@H]1CC2	2316873474	MTQBLYNAWDKRNH-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
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O[C@@H](CCC1=CCCCC1)CC1CCC=CCC1	2317965689	LIUQBHWXKQZRCJ-KRWDZBQOSA-N	248.410	4.764	0	10	BJAE	
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CCN[C@@H]1CCCC[C@H]1CCCC1=CCCCC1	2318598042	PETSLLBXMCWPEE-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
NCC1(CC[C@H]2CC[C@@H]2C2CC2)CCCCCC1	2319731391	TWBVWJJOIMWNSA-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
C[C@@](N)(CC[C@@H]1CC[C@@H]1C1CC1)C1CCCCC1	2319751111	RIZNYITUKSPMMN-USXIJHARSA-N	249.442	4.501	0	10	BJAE	
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CCC[C@H](CC)C[C@@H](O)c1coc2ccccc12	2328210829	TUSMVFKLLFAOOY-SWLSCSKDSA-N	246.350	4.683	0	10	BJAE	
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CCCCC[C@@H](C)N[C@@H](C)CCCC(C)C	21008763	LEPBSWMUPVAJLK-CABCVRRESA-N	227.436	4.760	0	10	BJAE	
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C[C@H]1CCC[C@@H](N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	35044456	LLXUXEQIAXPJKY-FIDHJVLJSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)c1ccccc1	35540482	FDZBHWGTJBFUAX-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
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CC(C)c1ccc(Sc2cccc(N)c2)cc1	37668122	QSZRXTPQSKMUGO-UHFFFAOYSA-N	243.375	4.543	0	10	BJAE	
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CC[C@H](CC1CC1)NC1CCC2(CCCC2)CC1	129397544	MQVHBHRUBOHFPI-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](C)COc1cc(C(C)C)ccc1C	130428730	KBQAJQHHGAXWHP-GFCCVEGCSA-N	220.356	4.543	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1cccc(C2CCC2)c1	133517333	SXAKNHIZQAUXBQ-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCCCCC[C@@H](NCC)c1ccc(C)s1	133707974	PEZFYAJILSITGW-CYBMUJFWSA-N	239.428	4.678	0	10	BJAE	
CC[C@H](C)c1ccc(-c2ccccc2)cc1	135789833	PHGFRSRGDKKOPP-ZDUSSCGKSA-N	210.320	4.867	0	10	BJAE	
FC(F)(F)c1cccc(C2=CCCCC2)c1	145159128	XRUMKQRWRNFAPG-UHFFFAOYSA-N	226.241	4.663	0	10	BJAE	
CCCCCC[C@H](CNCCC)C(C)(C)C	162339659	OEGYKAWXSROKOH-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cccc2c1CCCC2	163737103	IXCPYHYGQAVGCX-XJKSGUPXSA-N	243.394	4.556	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1[C@H]2CCCC[C@H]12	164261726	FEGXIMQTQOSQBM-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCC(O)(CCC)Cc1ccc(C(C)C)cc1	165418837	SBKJNMNCUVEPLL-UHFFFAOYSA-N	248.410	4.684	0	10	BJAE	
CC(C)CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1N	166187575	NFEXGEHKTJTODI-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H](C)CCC	167828875	WBBXGVDVVLSTDL-STQMWFEESA-N	212.377	4.598	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cc(C)cc(Cl)c1	168031729	ORONPMOJDZPGKQ-SNVBAGLBSA-N	238.758	4.657	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)C1=CCCCCC1	203425430	MFOPFJVYMBMSJV-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CCC1CC1)c1cccc(C)c1C	229549082	BTVBVOZAOVPSRV-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](O)(CCC(C)(C)C)C1	230785594	JZSWYZVARAGPEN-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)C2=CCCCCCC2)c1	235823891	VQOSHBMTVPQWLO-KRWDZBQOSA-N	244.378	4.617	0	10	BJAE	
C/C=C/C[C@H](C)c1ccc(Br)s1	238019831	SEIUHMLHKGIEEC-RTMURIBGSA-N	245.185	4.580	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@H]1CC[C@H](CC)C1	251347795	PXJAXBMHUAXOQT-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1N[C@@H]1[C@@H](C)CCC[C@H]1C	252391456	QNTSJSCFEGIUJG-HALDLXJZSA-N	245.410	4.876	0	10	BJAE	
C[C@H]1C[C@H]([C@H]2CCC[C@@H](C)C2)c2ccccc2N1	300115007	ANTLESJSOMHPCI-ORIJERBGSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CC[C@@H](c2ccc3c(c2)CCCN3)C[C@H]1C	300115529	IQFPNOVPDHTQIV-MGPQQGTHSA-N	243.394	4.584	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)C1CCC(C)(C)CC1	300471194	WOCICVCXCOWWDE-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc2cc(C(=O)CCC(C)(C)C)oc12	302270595	HCBALYSLNKJIFR-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)[C@H](C)CC(C)C	302529130	GEMRXQVCUQBDIG-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@@H](CC)CC(C)C	308111115	ZWPDFTUGHMKVQI-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC(C)NCC/C=C\C[C@H](C)C1CCCCC1	310379637	BYGIMLRRLXDYAT-YVACAVLKSA-N	237.431	4.537	0	10	BJAE	
Cc1cc2ccccc2n1CC1(C)CCCC1	310438131	VCKSJJLYFKKPLD-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCC(C)(C)C(=O)C[C@@H](C)C1CCCCC1	310488369	NOLMQKKLTRTRAJ-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C(C)(C)C(C)(C)C	310574505	PDGHGOSTUSDPQL-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
c1ccc(N[C@@H]2CCCC23CCCCC3)cc1	312998936	HDLOSKOJMAXUOW-OAHLLOKOSA-N	229.367	4.602	0	10	BJAE	
CCNC[C@@]1(CC(CC)CC)CCC[C@H](C)C1	317213057	AVRGRNDZYFEXGT-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@](C)(CC)[C@@H]1CCCC[C@H]1CC	317498261	FZSCMDQPBODWSI-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(O)CCC[C@H](CC(C)C)C1	318938304	YNEXJHVBFRUQEB-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)C(C)(C)C1CCC1	322507921	PPQFUOUBGWAICF-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)NCC[C@H](C)CC/C=C\c1ccccc1	324216893	YICDBIKXCUDSPC-IYCSXQJISA-N	245.410	4.504	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@@H]1CCCC12CCCC2	327999045	NJZMNCIKOVPOCN-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
Clc1ccc(N[C@H]2CCCC23CCCC3)cc1	328184047	OCEZXWGYZRKPPK-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
CC(C)(CCNC(C)(C)C)CC1(C)CCCC1	380136127	FJYHYPWVSKZPKP-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@@H](N)CCCCCC(C)C)cc1C	383215220	BOFIECXQKHYBCL-KRWDZBQOSA-N	247.426	4.910	0	10	BJAE	
C[C@H](CCC(C)(C)C)Nc1ccc2c(c1)CCC2	385366625	MMQFHTFFONBXHD-CYBMUJFWSA-N	245.410	4.802	0	10	BJAE	
C[C@@H](C[C@H](N)CCC1=CCCCC1)C(C)(C)C	385657757	FXJJBLKRZCMKON-DZGCQCFKSA-N	237.431	4.667	0	10	BJAE	
CSc1c(C(F)F)cc2sccc2c1C	396411805	UNBJYGYCDLYRGR-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H](C)C1CCC1)NC	398705759	LIKCJFIADKAGPV-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCCC1(C)C)C1CCC1	398778249	BZWITHOWBWTRQO-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
C[C@H]([C@@H](N)c1ccc(C2CCC2)cc1)C(C)(C)C	399086676	VACCTIKMNOYEJO-MLGOLLRUSA-N	245.410	4.636	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H](C)C(C)(C)C	399126069	OKVUIBUQNVNPTA-CHWSQXEVSA-N	226.404	4.844	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)c1ccc(C)cc1	400461157	LOPFASOKQCRUJB-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CC1(C)CCC(N)(CCC(C)(C)C2CC2)CC1	405944496	BCYJOFNPGBWCLV-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNCCC(C)(C)CC	686310785	NBWMPCMTSKRKRL-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)c1cccc([C@@H](N)CCCC2CC2)c1	691652266	MOYYARAJOUGOPL-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@H]1CC2CCC1CC2	691752644	RGZJALYZUOPHIP-BACDZXNISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](NCC2CC3(CCC3)C2)CC1	691927132	CVPQMSTXXOZDAY-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@@H](C)C1CCC1	692730225	IFUCBJJWBORCII-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)Oc1cc(Cl)cc(C(C)(C)C)c1	694960958	QRNKWWMOVRBECD-UHFFFAOYSA-N	240.774	4.815	0	10	BJAE	
CCC[C@H](C1CCCC1)[C@@H](CC(C)C)NCC	695104009	XKZQVGNODYUSDI-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)CCC(C)(C)CC	696693270	VMURUGNUNUKFTQ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CC(C)(C)C	697752874	LIKXAUKMWZCFCS-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC(C)=CCCOc1ccc(C(C)(C)C)cc1	697784168	KRZLVPSZESWEHZ-UHFFFAOYSA-N	232.367	4.719	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@H]1C(C)(CC)CC	701144966	JLUZOVPYOFPNCY-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@@]1(C)CC1(C)C	702199516	AKJUMDDTKOIXRI-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)CCCC12CCCCC2	704462956	VLMAVRWEOIYBFP-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H](O)c1cscc1Cl)C(C)(C)C	710428952	WLSBRPZHPHKTKI-LDYMZIIASA-N	246.803	4.507	0	10	BJAE	
CCCC[C@H](CC)CNc1cc(C)c(N)cc1C	710674621	UIPMQJGYUYPGSE-AWEZNQCLSA-N	248.414	4.514	0	10	BJAE	
C[C@H](C[C@H](O)c1ccc(C2CC2)cc1)C(C)(C)C	710784841	GAVURZNDPZTXFL-WBMJQRKESA-N	246.394	4.670	0	10	BJAE	
CC[C@H](C[C@@H](CCCC1CC1)NC)C(C)(C)C	711189257	HPNSPEYCAHUHNB-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](CC(C)(C)CC)NC	713131018	DXXSIRQVWBJKEH-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC(C)NC[C@@H]1CCCCC[C@H]1CC(C)(C)C	713169959	SWMOCEQWLLDXQA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC(C)(C)C(C)C	713272680	QRJDAHGYNGQUSW-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@@H]1CC[C@@H](CC)C1	713743543	GPMYPHIXXRTZAZ-BIAFVLJASA-N	249.442	4.703	0	10	BJAE	
C=C/C=C\CCC(=O)C1CC(C)(C)CC(C)(C)C1	713752048	JGBJBRDBWSMFOX-FPLPWBNLSA-N	248.410	4.930	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(C2CC3(CCC3)C2)C1	717581992	CIBWDOGRIMXLMG-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCc1ccc2cnccc2c1	718645097	DMBAGUGKXUHQHP-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CC1(C[C@@]2(N)CCCCCC2(C)C)CCCC1	719199212	JQHCAMFYABXQLU-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C(C)(CC)CC	721675552	SGKRYVDPCBOVFR-UONOGXRCSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1c(C)sc(C)c1C	722492291	KYNZCGBPCSAEJV-SECBINFHSA-N	238.396	4.682	0	10	BJAE	
CCCNCC1(C[C@@H]2CC23CC3)CCCCCC1	722879524	WNNLDLDCJDGKFO-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(SCCC2CCCC2)cc1	1559335486	AYYYREARLDRION-UHFFFAOYSA-N	220.381	4.667	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCc1ccccc1	1887689772	YFLIZZSZVPDOJH-UHFFFAOYSA-N	239.362	4.731	0	10	BJAE	
CC=CCCCCC[C@@H](C)C(F)(F)F	1888885157	WPIIPYRJGYOCPL-SNVBAGLBSA-N	208.267	4.711	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCC(CC)CC	1900700942	FMLNPVLOEHUQCV-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1(C)CCCCC1	1905435045	OLLXAUQQXFRDOX-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1ccccc1Cl	1905454898	VXSNYLBRXNNOJX-BXUZGUMPSA-N	239.790	4.556	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)CCC(C)(C)C	1908552435	OVCWEIUVTXWMTO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](O)C1CCCCCCC1	1908556344	PKJOUOCJBAGDHI-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](O)CC1CCCCCC1	1910696069	KZVQBYUYCGAOJU-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC=CC[C@H](C)c1ccc(SCC)cc1	1911875319	DKGWXSXPMSWAIP-LBPRGKRZSA-N	220.381	4.868	0	10	BJAE	
CCNCCC=C(C)C[C@H](C)C1CCCCC1	1912038477	MIDRIDINGLLZEP-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C1CC2(CCCC2)C1	1912596925	MALYEHHKBPQDKC-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@H]1CCCCCCCC[C@H]1O	1913387654	BTMUJKFZFNDYCR-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H]1CCCCCCCCC1=O	1913409533	DGCWCVAHZATDLC-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCC1CCCC1	1919945250	BRJVEDVSUBCJLE-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)Cc1cc(C)cc(C)c1	1919976116	VPJOAVRSKMSQPC-KRWDZBQOSA-N	248.410	4.567	0	10	BJAE	
CCC(CC)C[C@](C)(N)c1ccc(C(C)C)cc1	1920440063	HSKHGHFPUAFMIE-KRWDZBQOSA-N	247.426	4.810	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@@H](C)C1CCCC1	1924083575	LWOWKGZPACSHFP-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C(=O)CC[C@H]1CC1(C)C)C1CCCCC1	1924106181	BZQKQZJAFNLXJC-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)C[C@@H](C)CCC	1925120735	VAOBAYZMBBHJDV-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C[C@H]2C=CCCCC2)cc1Cl	1925817027	MMXUVVDUENTMON-ZDUSSCGKSA-N	234.770	4.937	0	10	BJAE	
Clc1ccc(C[C@@H]2C=CCCCC2)s1	1925879103	HYECWOFWMWMEHU-SNVBAGLBSA-N	226.772	4.690	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)[C@H]1CCCC1(C)C	1925915866	RPAIEAMDVGEKAJ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C[C@H]1C=CCCCC1	1925946200	QYRMOZFGCDHPIL-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CC[C@H]1C=CCC1)CC(F)(F)F	1932591954	FBHJJLDMIRXBLJ-QWRGUYRKSA-N	220.278	4.711	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CCCCCC1CC1	1936409981	HUFOFUSNHZPFHR-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)CC1(C)CCCCC1	1940408195	SFQLVMUGCRDAFQ-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)CCCCCC1CC1	1941595916	KHUSUFGNSRWMCZ-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CN[C@H]1CCCCC[C@H]1CC)C(C)C	1941929078	MLKPAWDOXQVJGL-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCc1cnc(-c2ccccc2C2CCC2)s1	1941962111	QWHQOCFQKXYZPC-UHFFFAOYSA-N	243.375	4.640	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)(C)C	1944206299	XLMWHFLRTHEDMA-NHIYQJMISA-N	239.447	4.602	0	10	BJAE	
CC(C)(C(=O)CCCC1CCC1)C1CCCC1	1944643179	VOAIKOUYDYKVSC-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C(C)(C)C(C)C	1944680564	OTDDLSZVEAOFJP-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)CCC1CCCCC1	1944789947	KTYYVVWBVHEUEB-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCCCNC[C@@H]1CCC[C@H]1C	1944845882	LCRSPOLGQPHDMX-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CCC[C@H]1C)NCCC	1944847639	YBNFGDBGEPOWOM-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC1(CC)C(=O)[C@H]2CCCCCCCC[C@@H]21	1947874597	FNAFCSMTNIYOJI-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1C[C@H]1CNC1CCCCCCCCC1	1947879244	OPVLXFAJVKXWOX-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC1CCC([C@@](C)(N)[C@@H](C)CC(C)C)CC1	1948328516	UZWZCOWXZVDYEA-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CC2(C)CCC2)CC1	1948972802	KVXQINMHGNZHBD-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CCC[C@H]1CC1(C)C	1949055144	PNDJTFJQGWZMPY-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCCC(C)C)CCC1(C)C	1949663716	YSQVWRSPDBVFOQ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)[C@@H]1CCC[C@H](C)CC1	1950928656	ADVNRHJROJFOGH-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C)N(CC)Cc1ccccc1C(C)(C)C	1969517260	GQUJLGSUXUKROA-CQSZACIVSA-N	247.426	4.605	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@H](C)c2ccoc2)C1	1970466813	DMZQBLIKXDLMMU-YCPHGPKFSA-N	249.398	4.535	0	10	BJAE	
c1sc(CC2CCC2)nc1C1CCCCC1	1971547828	QKCXUXNEWNBWNA-UHFFFAOYSA-N	235.396	4.533	0	10	BJAE	
CCCSc1ccccc1NC[C@@H](C)CC	1975964047	FTMYRMNWWHCKPB-LBPRGKRZSA-N	237.412	4.647	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1csc(C(F)F)c1	1978582109	HNYDKYCFDILFLW-KWQFWETISA-N	247.354	4.512	0	10	BJAE	
FC(F)(F)[C@H]1CCCC[C@H]1CC1CC=CC1	1981975619	FXUAGRLQLBPZRK-RYUDHWBXSA-N	232.289	4.711	0	10	BJAE	
CCC(CC)CCN[C@@H](CC)CCC(C)C	1986937747	KOGNEHZGGDHKTA-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)cc1)[C@@H]1CCC1(C)C	1987995688	OJUCAKMVQHOZRO-MFKMUULPSA-N	237.774	4.577	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CCC[C@@H]1C	1995205735	VCUVONRVNDSOFC-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](NC)C1CCC(CC)CC1	1996610726	LSLQSPUPJOQAMO-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(O)CCC2(CCC2)C1	1998699530	RAVLRFYYWSTWLZ-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)c1ccc(NCC2CC=CC2)cc1	1998845302	SEBGWDNBHJOIEX-CYBMUJFWSA-N	229.367	4.578	0	10	BJAE	
CCN[C@@H](CC(C)C)C[C@@H]1CCC=CCCC1	1999992967	XTLCTZKIXLHEEE-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(O)C2CCCCC2)C1	2000026407	CLZNHXVFKZVPDL-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@H]1C[C@@H]1CC	2000368776	UTOSWDOVYFOVST-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)C1(CCC)CCC1	2000388892	YFAZINKVFCWRIJ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CNC(C)C)CC1CC(C)(C)C1	2000523878	SUVIWEXMMOGQMR-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CC23CCCCC3)s1	2001256558	XHTXDMJVLPYNDI-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCC(O)(CC)CC[C@]1(C)CCCCC1(F)F	2002575948	IQEISDSNQGGHAP-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CCN[C@@H](CC(C)C)C1CCCCCCCC1	2003093963	AJNBDWWSYHNVLB-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](O)[C@H](C)CC)CC1	2003100550	RHADXBDSXYLFMS-FPCVCCKLSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCC[C@H]2CC[C@H]21	2004796862	DZFFORFKUZQUNK-NJZAAPMLSA-N	249.785	4.639	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(CO)CCCC1(C)C	2005564675	DLWWALFPKROHHO-CZUORRHYSA-N	240.431	4.638	0	10	BJAE	
CCCC[C@@H](CC=C1CCCCC1)NCCC	2007943564	DKKQQBQAJUQKQA-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CCCC1(C)C	2009596324	PRXQIVAIGVECLL-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H]1N[C@@H](C)C[C@H]1C1(CCC)CCC1	2009771475	RLHYETRCCMYBBL-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)C[C@H](NC)C1=CC[C@H](CC)CC1	2010750382	VGWWUZVTWZWNAR-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCCC[C@H]1C[C@H]1C)CC(C)C	2011582593	BEPQKLCPDVPVEH-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC(C(C)C)C(C)C	2015276824	BECXPVQAQNIYKG-GDBMZVCRSA-N	241.463	4.848	0	10	BJAE	
CCCC1CCC(C[C@H](O)C(CC)CC)CC1	2017650214	DSBGDNZIRUSVNP-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC1CC(C(C)(C)C)C1	2017792476	APBGEUJNVLNCNK-SEEARECTSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCNC2(CCCCC2)C1	2018646643	YDNHTKBFLSCPEA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC1(CC(=O)C2CCC(C(C)C)CC2)CC1	2018922185	DWPPASVALMXERW-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(CN(C)[C@@H](C)[C@@H](C)CC)CC1	2019387492	WDQVKNDZFMEHPK-FXQLRMTLSA-N	239.447	4.569	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H](CCC)C(C)C	2020975120	XPMFFZIGPWRSTL-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1cccc2sccc12	2022410826	CCPRENWPGXRXFO-GWCFXTLKSA-N	244.359	4.520	0	10	BJAE	
CCCCCC(CCCCC)NCC1(F)CC1	2025707636	QZBOATWHWNZLNC-UHFFFAOYSA-N	243.410	4.607	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1ccccc1F	2026083198	YKGSRVCPDWHKKB-GFCCVEGCSA-N	236.330	4.615	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NCC)c1ccc(C)cc1	2028265032	QMBBJJHOBPSUBB-IRXDYDNUSA-N	247.426	4.718	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)c1ccc(C2CC2)cc1	2028593513	NGDIPPRQGJTMNL-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CN(CCCCCC1CC1)C1CCC2(CC1)CC2	2028647191	ZPOLZKATLOCDOX-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
O=C(CCCCCC1CC1)C1CC[C@@H]2C[C@H]2CC1	2028966219	ZPASFKBXZNPCHJ-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
c1cc(N[C@H]2C[C@@H]3CC[C@@H]3C2)cc(C2CCC2)c1	2029079243	VKBYXXJBRRJNST-SCAQPMJSSA-N	241.378	4.555	0	10	BJAE	
CC(C)C(C)(C)C(=O)CCC=Cc1ccccc1	2032295624	JRGCYXLGLJXIAU-UHFFFAOYSA-N	244.378	4.731	0	10	BJAE	
CC[C@H]1CCCC(=C2CCNC[C@H]2CC(C)C)C1	2032489656	GLMLKCLTOLUTNO-GOEBONIOSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(F)cc(NC2CC(C3CCCC3)C2)c1	2033768280	RXWVCZNNZQZDQL-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
O[C@]1(C2=CCCC2)CCCC[C@@H]1C1CCCCC1	2033826239	PPYRRHWWZSBJIM-SJORKVTESA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(CN[C@@H]2CCCC3(CCCC3)C2)C1	2034363154	KXTKKWVQACJCRT-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2C=CCCC2)cc1	2035555997	OIKDVVWJMNEMGP-LSDHHAIUSA-N	244.378	4.935	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)[C@H](C)CC(C)C)cc1	2036386555	YLPTVMBENPRXBS-OAGGEKHMSA-N	247.426	4.716	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C1CC(C)(CC)C1	2036479203	YVLXMHWNFVEKTF-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	2036661379	PHNYRNBFAPNXCJ-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
N[C@]1(C[C@@H]2C=CCCCC2)CCCCC12CCC2	2037272470	XXSWQTWQZHICJK-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H](C1CCC1)[C@H]1CCC2(CCCC2)C1	2037579548	JOEXHCUEIDXVGD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1CCCC1)C[C@H]1CCC2(CCCC2)C1	2038108005	OIKCGKAUNYDDLP-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
c1cc(C2CC2)ccc1NC1C[C@H]2CCC[C@@H]2C1	2038611631	TWRYSMRXLKHTGS-HUUCEWRRSA-N	241.378	4.555	0	10	BJAE	
CC1(C[C@@H](N)CC23CCC(CC2)C3)CCCCC1	2039420634	MWFVPZVMIODDEM-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2cccc(C)c2)CC1	2041384876	XQVPGWUJYSVOAU-CABCVRRESA-N	244.378	4.784	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@]1(C)CC=CCC1	2042030757	OQQZOANPYIQYNS-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@@H]1C=CCCC1	2043190209	HHXWOMCSVPQNBM-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@H]2CCC3(CCC3)C2)C1	2043609001	XFSUNLMBWDNSRS-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@]12CCCC[C@@H]1C2	2045314207	HVVVILRNJMRKAW-INMHGKMJSA-N	246.394	4.662	0	10	BJAE	
CC(C)[C@@H](C(=O)CC1CCCC1)c1ccccc1	2045674241	VIODRWRSMORNOU-QGZVFWFLSA-N	244.378	4.576	0	10	BJAE	
CN[C@H](CCCC1CC1)[C@H]1CCC2(CCCC2)C1	2045730720	QZEGMJCZHLECRS-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1(N)CC2(CCCCCC2)C1)C1CCC1	2046230751	XBOKTKJCJXOSLP-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2CC23CCCCC3)CCCC1	2047011454	XNPRQPNEBFPHKE-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CN(C1CCCC1)[C@H]1CCCCC12CCCCC2	2047540206	YICGJYBBATXWRK-INIZCTEOSA-N	249.442	4.754	0	10	BJAE	
C[C@H](Nc1ccccc1F)[C@@H]1CCCC(C)(C)C1	2049528043	GTSKQNJNRFXBRV-QWHCGFSZSA-N	249.373	4.843	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@@H]1CC12CCCC2	2049642285	SHHOCOCCMSXYFW-LSDHHAIUSA-N	248.410	4.886	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C[C@@H]1CCCC2(CC2)C1	2049858045	OEXGIBXKJCOOHW-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](NC)C1(C)CCC2(CC2)CC1	2059221959	UNIHFPGBQKVAMJ-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1cccc(C)c1F	2059249552	IOWJOBUSTOYIRJ-CSPWOOARSA-N	249.373	4.531	0	10	BJAE	
CCc1cc(C(F)F)c(C(F)(F)F)cc1C	2060350514	CGKHJUGAIYKLPT-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](CC)CC1)C1(C)CCCC1	2061082154	UBMCUIVJPLZWND-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)[C@H]2CCC[C@@H](C)C2)CC1	2061087682	HNCAVDBILXTUJH-OHFALNGGSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1ccccc1[C@@](C)(O)C1(C)CCCC1	2067506048	UAEHXLAGBJQCDK-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC(C)(C)CC1CC(NC[C@@]2(C)CC=CCC2)C1	2067983837	ZDBRZNGTCGPGNI-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](C[C@@H]2CC23CCC3)NCC)CCC1	2069181273	DYJGJNULZZTORJ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC1(C(=O)c2cc(C)c(C)cc2F)CCC1	2069342106	LTHKKZFPIWDZQC-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CCC1)c1ccoc1	2069345355	UCEUFIGFQBCUBZ-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)C1(CC2CC2)CCC1	2069512539	CEFFRNISQJTKFT-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCCc1cccc([C@@](C)(O)CCC=C(C)C)c1	2070391818	BKNOYODOWBAQIL-KRWDZBQOSA-N	246.394	4.593	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC1CC(C2CCCC2)C1	2070398671	MXHBAGWIWPUFBR-ODIFPOPNSA-N	249.442	4.680	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H](C)C2CC=CC2)CC1	2070813292	BXBHJEPSLCCFAC-INMHGKMJSA-N	249.442	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@]23CCC[C@H]2C3)CC1	2070959590	QKMCVMJADNHKMG-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CC[C@H]2C2CC2)cc1	2071801762	YKTKBKUQHRUKFS-ZLIFDBKOSA-N	243.394	4.801	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)C2(C(C)(C)C)CCC2)CC1	2071939268	YEACIPZNPPNMSB-ZFWWWQNUSA-N	249.442	4.667	0	10	BJAE	
CC(C)NCC1(CC2(C(C)C)CCC2)CC=CC1	2071939723	CTCQCNZFNNFSQA-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](N2CCC[C@@H]2C2CCCCCC2)C1	2071964645	LDPPWEQWZHFFCW-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@H]2CC[C@H](C)CC2)cc1C	2072669307	MDLIXEIEYQMQDC-NUTKFTJISA-N	246.394	4.553	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](NC)[C@@H]2CC=CCC2)CC1	2072790379	FYFZXWLYCUJENJ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(CC2(CN)CC3(CCC3)C2)CC1	2072806786	OYJQGUNLXSNNEX-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCCC1(CC[C@H](NC)c2ccc(C)cc2)CC1	2074636806	OTDARTOBLTZOCP-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@@H]1CCC2(CCC2)C1	2074811414	VPVWFMNXFQANQG-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
C1=C[C@@H](CNc2ccccc2C2CCC2)CCC1	2077262365	SAPIMLKHQDAKEN-CQSZACIVSA-N	241.378	4.722	0	10	BJAE	
CCCCc1ccc([C@H]2CC(=O)C[C@H](C)C2)cc1	2077925656	XPVKVSIJVBWUND-CZUORRHYSA-N	244.378	4.502	0	10	BJAE	
CC(=C[C@@H]1C[C@@H]1C1CCCCCC1)CNC(C)C	2079667443	XAHFQZPFBGPROI-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H]1CCC[C@H](C)CC1	2080261804	VUKOIGNVZUZPSP-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
Clc1sc(C2CCC2)c(Cl)c1Cl	2080448045	BQUYFIRJXRMCKK-UHFFFAOYSA-N	241.570	4.976	0	10	BJAE	
C[C@H](CC12CCC(CC1)CC2)[C@H]1CC[C@H](N)CC1	2082138147	ZXLIDTXMJKPAFE-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c2[nH]c([C@]34CCCC[C@@H]3C4)cc2c1	2083310293	XKVSAWMYUUSEOX-PBHICJAKSA-N	239.362	4.616	0	10	BJAE	
Cc1csc(C(=O)CCCCC2CC2)c1C	2211104439	BCMZYYFLAFMQPD-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCC[C@@](C)(N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213295804	DEFLJWOKISFBLB-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]1[C@H](N)CCCCCCC1CC1	2213576664	SNNMKDYMCSEXBV-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCN(CCCCCCC1CC1)CC(C)(C)C	2213580425	LXYKBGPSQRVWQF-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
Cc1ccc(CC=Cc2ccccc2)cc1C	2213824887	MCQNBNWEVYVOQN-UHFFFAOYSA-N	222.331	4.559	0	10	BJAE	
Cc1ccn([C@H]2CCC[C@H](C(C)(C)C)CC2)c1	2214625481	CRYKHFGDWRPPNI-GJZGRUSLSA-N	233.399	4.964	0	10	BJAE	
CCC[C@](N)(CC[C@@H]1C[C@@H]1CC)C1CCCC1	2215258345	XQVXUKDVQGESMP-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@](C)(CNC1CCC1)C(C)C	2217125267	NXNAWCHQRJJFGQ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
N[C@H](CCC1CCC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218360182	ZKISIRJZWQKHRH-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)CC1(C)CC2(CCC2)C1	2221070778	GHNVPMOXVRUYGT-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@H]2CC23CCCCC3)C1	2221071366	JDNKAAZODYSQNH-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](CC)CNc1ccsc1Cl	2242052262	VOIAKGMIMJRAEW-VIFPVBQESA-N	231.792	4.640	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC(C)(C)CC)NCC	2244780994	HZAGDPQRWMXZTC-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](CCCCCNC(C)(C)C)C1	2246725554	HJVUBVVCDLEJEY-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C)[C@H](CC)CC[C@@H]1CCC[C@@H](C)C1	2246727652	NVNJGOQVKZRPNA-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H](C)C(C)C)cc1	2248168358	PJPYMOUNJIKZBX-ZDUSSCGKSA-N	232.367	4.504	0	10	BJAE	
CCCCCCN(C)CCCCC[C@H]1C[C@@H]1C	2248839036	BUVZPZNGDAEZSQ-HOTGVXAUSA-N	239.447	4.715	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(C)CCCCCN1	2248869365	HNVAATHBVJDDNK-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1CC(CC)C1)NCC	2250367925	BEZJAAUMRITVFE-SSHXOBKSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CN[C@]12CCCC[C@@H]1CCC2	2250385540	GWFNUDMJFBBNAR-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1C[C@H](N)C1(C)C	2250479338	TUGQAZMPIWIIQP-HIFRSBDPSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@H](C)C1CC1	2250479492	VLHCBPANRYHUQG-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)C1C[C@H]2CCC[C@H](C1)C2	2254946688	RRRPPOFCBMOKBP-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@@](N)(C[C@H]1CCC12CCC2)C1CC1	2255020155	XKQBYJNPMFDFDK-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CC1CC2(CC(C)C2)C1	2259572463	SOYPHMUTVOISDN-JPWMHDLISA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@]12CCCC[C@H]1CC2	2260495795	ZQMUQIGNCFXPQL-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N)([C@@H](C)CC2CCC2)C1	2298912402	WKJKPPBWBQBVGA-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](O)CCC1CCCCC1	2298915398	IWWWEXSIDYUIGA-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(N)CCCC(C)C	2300504578	BQTKKYXEWYHZMO-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)C[C@H]1CCC(CC)CC	2300677717	CLFFZAYSSZNZDB-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@H](CC(C)C)C(C)C	2300686489	RELRVUSTPNYBSV-JKSUJKDBSA-N	242.447	4.882	0	10	BJAE	
CCC(CC)CCN1CCC[C@H](C(C)C)CC1	2300697014	JXIDLBQKGRGNFI-INIZCTEOSA-N	239.447	4.571	0	10	BJAE	
CCC(CC)(CCCC1=CCCCC1)C(=O)O	2302354477	RMEYBKYAOVSPOD-UHFFFAOYSA-N	238.371	4.548	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)CCCC1=CCCCC1	2302358143	CQIIGMFFWVGWKO-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@](N)(CCCCCC(C)C)CC1	2303468616	NOJJRSAINPBVPL-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCCCCC[C@@]1(CNC)CCC(C)=C(C)C1	2303470206	VDDZCPCAJPACCB-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)CC[C@@H]1CCC(C)(C)C1	2304408047	LAJVZHFACFNYAM-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@H](CC)CCC	2307894922	TXLWHJRLYZITHL-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H](C)C1CCCCC1	2307904576	TZVDIIQARVMKAW-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309180570	FXHGRCLMFSLMIE-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCCC1	2311570732	RHIHKDDZFABBSU-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCCCC1	2311607907	LWOCJDRPMVMTDZ-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313349397	XBIYIHAQAOBZIJ-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)c1ccc(C2CC2)cc1	2315951278	DRXNBMGCYCKJCL-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC(=CC[C@]1(N)C=CC[C@H](C)C1)CCCC(C)C	2316560448	QOCWMHONIXFQGE-DLBZAZTESA-N	249.442	4.833	0	10	BJAE	
CC(=CC[C@@H](N)C1[C@H]2CCC[C@H]12)CCCC(C)C	2316569763	XQQJXCYMWBMFBO-HRCADAONSA-N	249.442	4.523	0	10	BJAE	
CCCC1(C(=O)C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316878386	NJSHBOKAVNPPSP-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CC=C(C)C)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316879127	QWUIHSHFKOCKSJ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](C)Nc1cc(C)c(OC)c(C)c1	2317380687	BICYNIYDSQOVDC-CQSZACIVSA-N	249.398	4.693	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)CC[C@@H]1C[C@@H]1C	2317909884	JKZZLASXWKCCDJ-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)CC[C@H]1C[C@H]1C	2318597826	NZMYLEJAGFPTSH-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC[C@@H]3C[C@H]23)cc1C	2319336591	IQUVPWCSVSXDQM-PVAVHDDUSA-N	243.394	4.548	0	10	BJAE	
Cc1ccc(OCC[C@H]2CC[C@H]2C2CC2)cc1C	2319748431	JVJALLLSJZIPDG-WBVHZDCISA-N	244.378	4.509	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H]2CC[C@@H]2C(C)(C)C)CC1	2320209799	VRYRYEXNPNDCOK-OJLVUWQFSA-N	249.442	4.523	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1CC[C@H]1C(C)(C)C	2320319842	IWABULGUTZIQLH-LSDHHAIUSA-N	245.410	4.788	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H](C)CC2CCCC2)CC1	2320414751	UEKUSEIBWKKSCW-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(N)([C@H](CC2CC2)C2CC2)CC1	2320767071	ZDGWSSFFROYOHK-BLDCVEFLSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)C2(C)CCC2)c1F	2327801001	DQUUOQDZCOAEMY-GFCCVEGCSA-N	249.373	4.940	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C(C)(C)c1ccccc1	2328282750	RMLFEVGJTXANRU-GDBMZVCRSA-N	248.410	4.542	0	10	BJAE	
CCCCCCN[C@H](c1cccs1)C(C)C	35046623	KXPHGBILKSDQSQ-AWEZNQCLSA-N	239.428	4.615	0	10	BJAE	
CCC(=O)c1ccc(-c2ccccc2CC)s1	36927391	OHWAPTKDRDIESN-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CCc1ccc([C@H](CC)N[C@H](C)CC(C)C)cc1	37260289	QPXIMTJTNXMGOC-PBHICJAKSA-N	247.426	4.724	0	10	BJAE	
CC(=O)c1ccc(S[C@H]2CCC[C@H](C)C2)cc1	54691618	DHFAGPMLIDZHPG-NHYWBVRUSA-N	248.391	4.560	0	10	BJAE	
CCc1ccc(N[C@H](C)c2sccc2C)cc1	70089760	VDYDXRJDLQJUKO-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(F)c(C)c2)C1	71121706	DAWGGSXSRQCAEZ-STQMWFEESA-N	235.346	4.515	0	10	BJAE	
CCC[C@H](CCC1C[C@@H](C)C[C@H](C)C1)NCC	84958303	UJBXUHMQHSMQOR-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C/C(C)=C/CCNC(C)(C)C	86572971	PEAIISRFLXANCE-PCRWRXJSSA-N	225.420	4.537	0	10	BJAE	
CCCNC/C(=C\c1ccc(C(C)C)cc1)CC	92725929	SOTDIYLTQNYKEB-QINSGFPZSA-N	245.410	4.603	0	10	BJAE	
CCCCCC[C@H](O)c1cc(CC)ccc1CC	97470535	WLZRENZIPLDNHE-KRWDZBQOSA-N	248.410	4.815	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CC)c1ccccc1	109656248	QEXWYWYWBQHKAB-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
Fc1ccccc1-c1ccc(F)c2ccccc12	112733510	IMXRIJSSLVGONS-UHFFFAOYSA-N	240.252	4.785	0	10	BJAE	
CCCCCC[C@H](C)[C@@H](NC)c1ccccc1	128425527	SLUOJKRPSDZWDS-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
Cc1ccc(CCCC(C)C)cc1Cl	148233262	BCAQRIZZEBUDCS-UHFFFAOYSA-N	210.748	4.627	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C2CCCCCCC2)c1	158931715	BKTBCYIDDSRIBH-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CC1=CCCC(C)(C)[C@H]1C=C(Cl)Cl	196077111	RZMKPCIAQCPTDG-VIFPVBQESA-N	219.155	4.688	0	10	BJAE	
CCc1ccc(-c2csc(Cl)c2)cc1	196705816	PPBDDYHBAJSFDC-UHFFFAOYSA-N	222.740	4.631	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C2=CCCCCC2)c(C)c1	203413058	TWTIHPIFEGGHKH-KRWDZBQOSA-N	244.378	4.536	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)CCOC1=CCCCC1	207478405	NIOXZUNIZKKRNM-KGLIPLIRSA-N	224.388	4.779	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@]1(O)CCCC(C)(C)C1	226908390	PMXAAIDNLTXGOI-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(N[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)c1	226965382	YFHWUOGGYUALNV-QRTARXTBSA-N	243.394	4.622	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CC[C@@H](NC)C(C)(C)C	227182220	ADFWLRTXANJAMA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](c1ccccc1)C1CC1	228145274	OOFCRAOQNCXMKQ-JJRVBVJISA-N	245.410	4.552	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](Nc2ccc(F)cc2)C1	230765525	FQPSORWTBZLRMC-XJKSGUPXSA-N	249.373	4.843	0	10	BJAE	
CCCCC[C@@H](C)c1c[nH]c2ccccc12	232959741	TWRMVQGFUNKFIS-GFCCVEGCSA-N	215.340	4.852	0	10	BJAE	
CCCC[C@H](CC)Cc1ccc2c(c1)CCCN2	300117488	UQTGDEFUPPOBGX-AWEZNQCLSA-N	245.410	4.804	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC(CC)CC)NCC	300921929	LIKKKBCRHGMSCZ-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CCC2CCCC2)C1	305907277	DGQPUNJEFUQKDP-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CCCNC[C@H](C[C@H](C)CC(C)C)C(C)(C)C	306014311	XHIDSFGYZDXWOJ-CABCVRRESA-N	241.463	4.721	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC23CCCCC3)c1F	306025108	UYFXMOPOGSXJPM-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
CSc1ccc2sc(S)cc2c1Cl	306919409	KGHKFBGPUZHWJP-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1cc2ccsc2c(Cl)c1CC	307332396	AGDVTQMOQXYNBK-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCC(C)(C)C	308047753	IBUJGXUEQFXAJB-ZIAGYGMSSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C(C)(C)C(C)(C)C)C1	310582924	SABBCXRRJXRPOT-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(C)c2ccccc2n1	310677048	JSVXTGDIEMNHCX-CYBMUJFWSA-N	242.366	4.534	0	10	BJAE	
CC1CCC([C@@H]2C[C@@H](C)c3ccccc3N2)CC1	310834725	ZOGAISGCKPAXME-GMUWMPNVSA-N	243.394	4.801	0	10	BJAE	
CCCNCC1([C@H](C)CC)CCCCCCC1	317730437	LDIFBKXLGYCOCM-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CC(C)NC[C@]1([C@H]2C=CCCC2)CCCC[C@@H]1C	317893702	IKMZSOUMXKRSPU-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@]1(CCC1CCCC1)CNC1CC1	318494946	DHTYAPQGDJBSRW-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)[C@@H](C)[C@H](C)CC	318870714	LANMELQHNDUKAY-VYDXJSESSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1[C@@H](C)[C@@H](C)CC	320092401	YRNJFCPXSIFAIB-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H](C(C)C)C1CCC1	324895428	HBRGHKWJHYZATR-BPUTZDHNSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](C)[C@@H](C)C[C@@H](C)C1CCCCC1	379943239	YIAKUIZTAKMFGD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CC2CCC1CC2	381897654	AWOBNXMEJASKKH-KOHJWAIASA-N	249.785	4.639	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1CCCCC1(F)F	382164472	PIIYNNXGOVVNAV-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCCC[C@@H]1N	383415682	YIUIHDQZKPZSOA-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CCCC(C)C)C(C(C)C)C(C)C	383552144	XJUCDUKZSLDANC-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccsc1Cl	387277746	UVSSYNINLVNSAP-SECBINFHSA-N	231.792	4.782	0	10	BJAE	
Cc1cc(F)ccc1NCCC1CCCCCC1	394641438	VBYJOVZJDWVOCM-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCc1ccc2c(SC)c(CC)sc2c1	396169729	MGYWYBXMVLLIKQ-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
C[C@H](CN[C@@H]1CCCC12CCCCC2)C1CCC1	398944968	XWCIRYGCLFOQRO-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)CC(C2CC2)C2CC2)C1	400816166	GLFOERANMMRASN-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@@]1(CC2=CCCC2)CCC[C@@H](C)C1	401067215	HVZWFDWDIGXKFD-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC=CCC1)C1(C)CCCCC1	402141228	JCDHKSJEOYTGEQ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@H](C)C(C)(C)C	405733105	MNVAMNFBUDQJFN-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(OCc2ccccc2C)c(Cl)c1	605689616	ARUPSQBOVIQNGI-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H](CC)CC(F)F	688833868	NRYMHFJYKDUYGH-VXGBXAGGSA-N	248.357	4.843	0	10	BJAE	
CC[C@H]1CC[C@H](NC2CCC(C3CCC3)CC2)C1	695908041	IKJUCMJAXIMUGI-LYAPFXNSSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)C1(CC)CC1	696551681	TZUVSAIXGDBFBM-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1csc2ccccc12	697600035	WTMDCBPYULAWOO-CQSZACIVSA-N	246.375	4.681	0	10	BJAE	
CC(C)=CCCCC(C)(C)C(C)(F)F	698011125	CNCJLEBMEPPLTP-UHFFFAOYSA-N	204.304	4.804	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1C[C@@H]1C(C)(C)C	699850058	JKIUIUWHQPNEIT-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H]1C[C@H]1C(C)(C)C	700004400	ZTUGDSWMXBLKBX-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](N)(CC)C1CCCC1	704916284	VRQGOWZIVSRPMF-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H]2CCC[C@H]21)C1CCCC1	707800987	SRKYBBZPCVOOLI-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC/C=C/C[C@@H](CCC)c1ccc(N)cc1	708314891	IJYPDGTXTBDCCH-URWSZGRFSA-N	217.356	4.509	0	10	BJAE	
CCCCCCN[C@H]1CCCCC[C@H]1C(C)C	709215763	HDHNSGZOPPTUAD-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C12CCC(CC1)CC2	710100216	LBAILMVZFBASNP-AQFXKWCLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](N)(C[C@H](C)C(C)(C)C)C(C)(C)C	710815414	WVEDAVJINCTSQY-WFASDCNBSA-N	227.436	4.602	0	10	BJAE	
c1cc(NCCCC2CCC2)cc(C2CCC2)c1	711150724	WOVOVOCQNUMLRW-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2C[C@H]3CCCC[C@@H]32)cc1	712414867	AHROJUKROWHOBP-HYVNUMGLSA-N	243.394	4.801	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(CNC2CC2)CC=CCC1	713143129	YJSXBWIDIKRQTI-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CC(C)(C)CC	713213040	YFKMBSXAEBMALM-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)CCC(C)(F)F	714035935	RIMFASKWGUMVIK-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CCCC1	714322443	MDHYXXZNFVXBLB-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)CC(C1CC1)C1CC1	718528438	NQXJRFLFBPDGJR-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1csc(Cl)c1	718655415	XSSWZPOTYAEMCI-NSHDSACASA-N	243.803	4.538	0	10	BJAE	
CCc1ccc(CCC(C)=C(C)C)cc1	718754386	RVBHPQUFXMKXEW-UHFFFAOYSA-N	202.341	4.538	0	10	BJAE	
C1=C[C@@H](Sc2cccs2)CCCCC1	1188635616	OGJCHZLEJJQWIO-LLVKDONJSA-N	224.394	4.729	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CCCC(C)(C)C1	1199053281	VXGXZKVMMHOZMQ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C1CCC(CCN2CCCC[C@H]2C2CCC2)CC1	1206552407	KOCZZTZDKFBCBD-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCC(C)(C)CCSc1cc(F)ccc1F	1307275826	FXSRCMQOFPPWDR-UHFFFAOYSA-N	244.350	4.883	0	10	BJAE	
C/C(=C/Cl)CS[C@H](C)C1CCCCC1	1643879882	GGTHGAODLYRVBY-HIJJYWJESA-N	232.820	4.831	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H](C)CC1CC1	1899400974	KNKFKGUULTWJRL-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC(=O)C[C@@H](C)CC=C(C)CCCC(C)C	1900825589	GJOZZKYYGRMUOC-AWEZNQCLSA-N	224.388	4.764	0	10	BJAE	
FC(F)CC12CC(C[C@H]3C=CCCC3)(C1)C2	1903415169	LCBXRIBXNNWUSL-XGNXJENSSA-N	226.310	4.558	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc(C2CCCCCC2)n1	1905261321	PPPDYAJNWVZVRA-ZYHUDNBSSA-N	235.396	4.704	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H](CC)CCC	1905432195	PNPOPXMCUDDGIO-UKRRQHHQSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@H]2CCCCN2)CC1	1909703322	NGGAKEKAIBRTKP-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CN(C)CCC[C@@H]1C[C@@H]1C	1909987245	FYCGZQFFCXJEOI-HRCADAONSA-N	239.447	4.571	0	10	BJAE	
CCC=CC[C@@H](CC)c1ccc(C)cc1	1911800188	YWWIRIXRZWDNBZ-CQSZACIVSA-N	202.341	4.845	0	10	BJAE	
CC(C)C(=C[C@@H](C)C1CCCCC1)CNC1CC1	1912068665	HLDGINMLLSTDAM-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1CCCCCCCC[C@H]1O	1913402690	FXLGOXOKZUFYGW-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CC1(C)C(N[C@@H]2CCC3(CCCCC3)C2)C1(C)C	1915874524	XVZJKQLFWQSCGB-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)CCC3(CCCCC3)C2)C1	1915892216	JVSRSCNKSCZBTQ-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H]2C=CCCCC2)s1	1925764872	GKVASKDPYPJDDA-GFCCVEGCSA-N	248.391	4.630	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)c1cccc(Cl)c1	1925770110	XVFRTMFVWQCDIN-LBPRGKRZSA-N	248.753	4.659	0	10	BJAE	
Fc1cccc(Cl)c1C[C@H]1C=CCCCC1	1925817842	VBQGFYPPNJTAIQ-NSHDSACASA-N	238.733	4.768	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)C[C@@H]1C=CCCC1	1927027395	REYAWCJYCBHARA-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(CC[C@@H]2C=CCC2)CC1	1932594551	CFRHWMHIGITMPE-CYBMUJFWSA-N	206.373	4.949	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CCC1(C)CC1	1935877808	XBNRDINJFWJDPJ-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](C(=O)c1ccc(Cl)cc1)C(C)C	1936208758	ISVLLKFDRRBRTO-ZDUSSCGKSA-N	238.758	4.595	0	10	BJAE	
CCN[C@H](CCCC1(C)CCCCC1)C(C)C	1940405670	CWRBVSBTPIYMNO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@@](O)(CC2(C)CCCCC2)[C@H](C)C1	1940408266	LFOVLVFCISKLHV-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1CC1(C)CCCCC1	1940416354	QJWORFHCKPIHJW-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)C[C@H](C)CC	1940884640	YUEDJNILDOSSDQ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CCC1CCC=CCC1)CNC(C)(C)C	1941792518	GRXMVPZNGLAABV-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(N)CCCC(C)(C)CC1	1942655453	JAXKXWKRGXIELS-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@@]1(C)C=CCCC1	1943137688	IXJNUZHJIPKVLA-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)C[C@@H]1CC1(C)C	1944748430	ZYEVQUBTOFVEKV-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCC(C)(C)C1)CC(C)(C)C	1945580291	XJHQMDJPZPQWER-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCCC)[C@@H]1CC1(C)C	1945823197	ITPMWKXUMPUHJD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@@H]2CCCC[C@H]2C1=O	1946357381	PMKYIQSJEKMZEF-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
Cc1c(C[C@@H]2C=CCC2)ccc2ccccc12	1947551208	CWLUUABACGTDLW-CQSZACIVSA-N	222.331	4.657	0	10	BJAE	
CCC1CCC([C@@](C)(O)[C@@H](C)CC(C)C)CC1	1948333274	RHJWWGVGHTZSOA-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC1CC2(CCC2)C1)NCCC	1948433159	PCKNTTNFODOPAK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@@](C)(N)CC2CCCCC2)CCC1	1948979568	QRTCHWVVJCQOQP-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CCC(C)=C(C)C	1949043928	RVPORRNDARJHDV-PMPSAXMXSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](CCCC=C(C)C)CC1CCCC1	1949862046	LUIWAMQUKKHFCE-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNC)CCCC(C)(C)CC1	1950913289	GCIATIJVWWBHMD-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC=CC[C@H](CCC)c1cc(C)ccc1O	1951308602	JRWVFGULMIZLTA-AWEZNQCLSA-N	232.367	4.941	0	10	BJAE	
CCCCCCNCCCC=Cc1ccccc1	1951318501	VNJZXHSQDNHETA-UHFFFAOYSA-N	245.410	4.650	0	10	BJAE	
C1CCC(CNC[C@H]2CCCCC23CCC3)CC1	1966065027	KBBPCRAQIHCTMJ-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
Clc1ccc(NCC2[C@H]3CCCCC[C@H]23)cc1	1968265362	JGARUGSFRBJSRW-KBPBESRZSA-N	249.785	4.578	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C)c2ccccc2C)C1	1968413299	CRJJGBSEQJDLQH-AWEZNQCLSA-N	245.410	4.614	0	10	BJAE	
C[C@H]1CCC[C@H](C)C1NC1CCC2(CCC2)CC1	1968829033	AIPFTULNCXVWCD-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C(=O)C[C@H](C)C(C)(C)C)CCC1	1978425586	URVKKTFJHGGJNL-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](NCC)C1(C)CCCCCC1	1978564360	RBTOUGOAYMYCEY-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](C)[C@H](N)C1(C)CCCCCCC1	1981415767	INYSFBXZKSPBOW-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCC1(C)CC(Nc2ccc(C)cc2Cl)C1	1984403893	TWHFSWSPQAFDSZ-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
C/C=C/CCCC[C@@H](O)c1ccccc1Cl	1984605346	AIZPWJFKFMPQAT-BAABZTOOSA-N	238.758	4.510	0	10	BJAE	
CCCC[C@@H](O)CC[C@H]1CCCC(C)(C)C1	1994033390	HZFHBIRFLXCMSY-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CCCC(C)C	1995254299	QFHHQKQAOISSMR-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
CCC(CC)(CC)N[C@H]1CCC2(CCCC2)C1	1995879022	IHKVIJZHIQQHNQ-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC[C@H]1CC	1998762878	DXACQVYPSRQYDO-BZUAXINKSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1CCCC(C)(C)C1	2000213027	AYRJHDFMGLJOGS-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC(C)c1cccc(C(=O)CCCC2CC2)c1	2000215521	WQDIWYQHADJFRL-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCC1CCC(CN[C@@H](C)C[C@@H](C)CC)CC1	2002884343	UIWMBPVRXBSCIR-FXQLRMTLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(N)[C@@H]1CCC[C@@H](C)C1	2003020377	OAYKPJBYZNRXBS-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CCCCCC1CCC([C@@H](N)CC2CC2)CC1	2003067783	XZOFCJKHKZEMBX-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
O=C1CCCCCCC[C@H]1CC1CCCCC1	2003069776	DCQHWFQYENEUID-HNNXBMFYSA-N	236.399	4.886	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@H]1CC1CCCC1	2003102998	ZXEFPUBXSIWBGE-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)CC1CCC2(CC1)CC2	2003288672	VAJKYOLAVDRTFK-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@@H]1CCC[C@H]1C	2006758773	LYFKTURURVDKKS-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H]1CCC[C@@H](CCCCCC(C)C)[C@@H]1C	2006979268	LZKHNNSFVLHKKZ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC1(CN)CCC2(CC1)CC2	2007667946	MWUXDFXMQGYFLX-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCCC[C@@H](NC)C1(C)CCC2(CC2)CC1	2007691401	SDDXZIIDICGLFZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCC[C@H](NCCC)C1	2009618405	BHEQCRGCIKKQKH-CFSAUIFESA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H]1NCCC12CCC(CCC)CC2	2009770798	KNPFTEHLQQQKHQ-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CCCCCC1CC([C@@H](CC(C)C)NCC)C1	2009803603	BYJCOCVIJWFMNL-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
C=C=CCCC(=O)C1CCC(C(C)(C)C)CC1	2010975854	LECDCKJSENGLDJ-UHFFFAOYSA-N	234.383	4.529	0	10	BJAE	
CCC[C@H](C)C[C@](CC)(CNC1CC1)C(C)C	2012420923	GWJLAARMXGQRMT-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](CC)CCC(C)C	2013262924	DUIVOCIPNBDTHS-OWCLPIDISA-N	239.447	4.760	0	10	BJAE	
C[C@@H](NCCC1CCCCC1)C1(C)CCCC1	2014336849	AVNLSJZOQVNUKU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC(C)(C)C)CCC1(C)C	2014848145	CDCINAZXENCHQE-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)CCC(C(C)C)C(C)C	2015337044	VKDJXQOMJBHUID-GOEBONIOSA-N	242.447	4.738	0	10	BJAE	
CC(C)[C@H](C)C[C@H]1C[C@@H](C(C)(C)C)CCC1=O	2015386121	KGDNQFSOFMNPNP-RDBSUJKOSA-N	238.415	4.700	0	10	BJAE	
CCC1(CC[C@@H](O)CC2CCCCC2)CCC1	2015599301	JQGPMWNTWYKGBK-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@H](NC)C1(CC2CCC2)CC1	2015784449	RBWAHXNXGGWPGD-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@](C)(O)C2(C)CCC2)CCC1	2017116206	HDNSBIHXBPIWSZ-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CC(O)(C[C@H]2CC[C@H](CC)CC2)C1	2017652926	MYVOMBJIRDORMZ-MSBXVQKDSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@](N)(CC)CC2CC2)CC1	2017728730	OMOJNCMBBOXDEB-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)C(CC)(CC)CC	2019006376	PETYDOVIPCIHOE-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)[C@@H]1CC[C@H](C)[C@@H](C)C1	2019127959	WFNCPMAGNFKQLG-ZQDZILKHSA-N	239.447	4.568	0	10	BJAE	
CCCCN([C@H]1CCC[C@@H](CC)C1)[C@H](C)CC	2019198702	BGAIRGFVKDKAGQ-OAGGEKHMSA-N	239.447	4.856	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C[C@H](C)C(C)(C)C)C1	2019198947	JNSBNUJFUKKDAT-RRFJBIMHSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCCCCCCC2)C1	2019202991	NKCSCTFOXXQBQU-HZPDHXFCSA-N	237.431	4.611	0	10	BJAE	
CC(C)CCCCCN(C)C1(C)CCCCC1	2019341983	HADOIHZQAZIHBN-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC(C)CCCCCN1C[C@H](C)CC(C)(C)C1	2019344607	PITKDTFOMYQJFU-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CCCC[C@]1(O)CCC1=CCCCC1	2019780766	RQTQJFKPOVLQSO-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@H]1C[C@H]1CCC	2022456665	HZSXQKFWAUKVTH-ARFHVFGLSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@H]1C[C@H](C)CCC	2023609041	DROFOQOILFTQNY-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)C1C(C)(C)C1(C)C	2026144606	NVTMBTOUMPAXQD-OLZOCXBDSA-N	240.431	4.636	0	10	BJAE	
CNC[C@@]1(CC2(C)CCCCC2)CC=CC[C@H]1C	2027927513	YGCJHRWSGVEKAL-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1ccc(C2CC2)cc1	2028598221	OMQPGZLRJVRXAG-IAGOWNOFSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccccc1C1CCC1	2029076656	BBJLOSQJIZMSTO-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](CC)c1cccc(C)c1	2029965997	FCKJYGONEYVIQF-PBHICJAKSA-N	247.426	4.862	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)[C@H]1CC12CCC2	2032134413	HLEOCKDKBIMGJO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNC1(C2CCCCC2)CCC1	2033057823	YKPZNLNLLSJKNC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cccc(C2CC2)c1	2035427495	WYTPFDKXIHSMAX-YOEHRIQHSA-N	243.394	4.945	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1N[C@H]1CCC12CCCCC2	2035496471	QUKBKSZJNNUDMT-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C)(C)CC(CN)(C[C@@H]2C=CCC2)C1	2035604180	YTVICZOLKGCKLW-CQSZACIVSA-N	249.442	4.524	0	10	BJAE	
CNCC1(CC2CC3(CC3)C2)CCCCCCC1	2036730496	HPAVATMLFHSYIY-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@](N)(CC1CCCC1)[C@H]1CCC2(CCCC2)C1	2037580394	KQCUZZNURIMUBA-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H](N(C)[C@H]2CCC3(CCCCC3)C2)C1	2037678602	LXPUWRNCPAFCRS-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CCNC[C@@H](C1=CCCCC1)[C@@H]1CCC(C)(C)C1	2037686437	MBUQCGMJKFPTDP-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)CC1CC2(CCC2)C1	2038079568	XCGDOUDMRFLTRS-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)CC1CC2(CCC2)C1	2038082402	DXEMJLHSJXJRAL-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CC23CCCCC3)CC1	2039008416	HIBNFFZQSTZWJA-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
C1CCC(CCNC[C@@H]2CC23CCCCC3)CC1	2039057217	CXGOOXXBDNUKOM-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CC1(C)CCCCC1	2039443328	ZKWKWKFKNGRXTF-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
CCC1([C@H](NC)[C@H]2CCC3(CCCC3)C2)CCC1	2039719491	IJJNPVDFINKWRH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c2cc(C34CCC(CC3)C4)[nH]c2c1	2039847229	QPJAOTGJYCVJAK-UHFFFAOYSA-N	239.362	4.616	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CCC1)[C@]1(C)CC=CCC1	2042019266	MRLFOUAOCKJITD-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(CC[C@@H]2CC2(C)C)CC=CCC1	2042096780	OSAARFDHVAKTAR-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC[C@@H](N[C@H](C)CC2=CCCCC2)C[C@@H]1C	2043195148	RRGLOBIWFXFEPE-LJIGWXMPSA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@H]1CCCC(C)(C)C1	2045392567	VWPLJCHAYBPRLX-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@H]1CCCC(C)(C)C1	2045392573	VXEMLMMBNXKSCZ-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C[C@@H]1CCCC(C)(C)C1)c1ccccc1	2045552492	RYNNVAWETGSIIE-HOCLYGCPSA-N	245.410	4.554	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H](C)c2ccccc2)CCC1	2045564463	DOMHFUSFZWHJIB-CQSZACIVSA-N	244.378	4.576	0	10	BJAE	
CC(C)C1(C(=O)[C@@H]2CCC3(CCCC3)C2)CCC1	2045565499	XCKRAENXXGXSSL-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C[C@@]1([C@@H](N)C[C@@H]2CCC=CCCC2)CC=CCC1	2047680599	FBYBXUPVTCDIDB-IXDOHACOSA-N	247.426	4.587	0	10	BJAE	
N[C@@H](C[C@H]1CCC12CCC2)C1=CCCCCCC1	2047931864	ILNHXGOBLHZMBB-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CC(C)C1CC(c2ccc3c(c2)CC[C@@H](C)N3)C1	2048634814	SOXSJTSSQYOCIU-UWTIGNOOSA-N	243.394	4.583	0	10	BJAE	
CCC1CCC([C@@H](C)NC2CCC=CCC2)CC1	2049419294	YEZQJPAKCPIPNO-QQFBHYJXSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)C1=CCCCC1	2049796188	VWGAQDZNINVVJU-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC1CCC2(CC1)CC2	2049846057	PFLALRMCGCAHKG-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C[C@@H]1CCC2(CC2)C1)C1(C)CCCCC1	2049851471	BNUIXSYZWGMXCL-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1C[C@@H]1CCCC2(CC2)C1	2049852487	BXVYXLGSFRLGQJ-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CCCC2(CC2)C1)C1CCC1	2049933676	QOYIDEHZDOWIDO-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC(C)(C)C1CC1)[C@]1(C)C=CCCC1	2050000865	RXIHSVHBMOGYQN-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CC(=O)c1ccccc1C	2050449596	IWQKMRCPTCKGMN-HUUCEWRRSA-N	244.378	4.784	0	10	BJAE	
Cc1ccccc1[C@H](N)CCCCCCC1CC1	2050456276	OYQVALRPUXWQJS-QGZVFWFLSA-N	245.410	4.745	0	10	BJAE	
C[C@@H](Nc1ccc2c(c1)CCCC2)C1(C)CCC1	2052355322	YJWJHZJQBWXUSW-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCCC12CC2)C1CCCCC1	2053315100	KORWGJJBGWFMJL-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1CCC(CC2(CN)CCC3(CC3)CC2)CC1	2056523376	NUPHQAMJCPRJDG-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCC1CC(CNc2ccc(C(C)(C)C)cc2)C1	2056718501	ISQSYBFHUBMCKH-UHFFFAOYSA-N	245.410	4.832	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C1CC(C(C)C)C1	2056873759	QKFZKHVHPYRLHJ-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1CCC[C@@H]2C[C@@H]12	2057353904	MJXPZOJFBZKBIC-UXLLHSPISA-N	246.394	4.662	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1CCC[C@@H]2C[C@H]12	2057355977	ABQXTXNNEILTHF-ZMSDIMECSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)CC2=CCCCC2)CC1	2061087692	HOQYFUNGCGTWJW-NVXWUHKLSA-N	247.426	4.587	0	10	BJAE	
CCC[C@]1(C2=CC[C@H](C(C)(C)C)CC2)CCCN1	2061095714	OVYZLLRCHHLHNF-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@]1(C2=CC[C@H](C(C)(C)C)CC2)CCCN1	2061096672	WOOQSIIAMVZTBT-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C1CC(=C2CCC2)C1	2061736485	HKMOZFUNMVEDDO-ZDUSSCGKSA-N	244.378	4.583	0	10	BJAE	
C1=CCC[C@@H](CN2CCCCC23CCC3)CCC1	2063283399	BTTXCOCPDKFHLE-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CC(=O)CC3(CCC3)C2)C1	2063720758	LCIHVFTZYGENMS-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
N[C@H](C1=CCCCCCC1)C12CCCC1CCC2	2063822206	PLJNAGCAGQWVKT-AQFXKWCLSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(F)cc1NCC12CCC(CC1)CC2	2065300793	PXMINFATAZRVCL-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CCCCC(C)(C)NCc1ccc(C(C)C)cc1	2066383314	ORBMWCLZPQFBEA-UHFFFAOYSA-N	247.426	4.868	0	10	BJAE	
CCCC1(CC(=O)c2cc(F)ccc2C)CCC1	2069282294	IREGYKJHRIXMHD-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCCC1(C[C@@H](O)c2ccc(CC)cc2)CCC1	2069340942	ZYTWINYXWKEPJK-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CCCC1(C[C@@H]2[C@@H](CN)CCC23CCC3)CCC1	2069342061	LNAABPIVQHIZQR-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)C1(CC(C)C)CC1	2069518781	DKGQSDRZFQDAAA-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@H]1C1CCC1	2071788836	VLPFBXCRETWIMP-DOTOQJQBSA-N	243.394	4.630	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CC2(C(C)C)CCC2)C1	2071916137	WBCDKTJURINPNW-UKRRQHHQSA-N	248.410	4.764	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C2(C(C)(C)C)CCC2)c1	2071968071	BAUJMEXECHUWRS-HNNXBMFYSA-N	246.394	4.553	0	10	BJAE	
CCC(C)(C)[C@](C)(N)Cc1ccccc1C(C)C	2072912874	NZIGCTSNEPEEOM-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@]12CCCC[C@@H]1C2	2074026495	UPLDTACZLVEWKP-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](C[C@@]23CCCC[C@H]2C3)NC)CCCC1	2074029577	OIJJFNUOJQBPKI-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N([C@@H]2CCC23CCCCC3)C1	2075009685	AGYLKIZLDVYVAC-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1C[C@@H]1C=C(CNC(C)C)C1CCCCC1	2079265490	QVMIGNYAKZGFEA-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCCNCC(=C[C@H]1C[C@@H]1CC)C1CCCCC1	2079265983	XENWJKUNHZQJLD-GOEBONIOSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](NCC)[C@@]1(C)CC=CCC1	2079623911	AQWQMYXQLGRFMC-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@@H]1C1CCCCC1)C1CCCCC1	2079839066	PQONQDSCBUFGHC-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2080221642	UBNZPNWDJZALJC-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](C)C1(C)CCCC1	2081946499	HZNXVKMMPAJYRT-GFCCVEGCSA-N	249.373	4.769	0	10	BJAE	
CN(CCC1=CCCCC1)[C@H]1CC(C)(C)C1(C)C	2084444918	RMOZDZUDLMWCSK-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213285420	QKOGURKUTSFBQZ-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](C(=O)CCCCCCC1CC1)C1CCC1	2213581481	WYTOLLPURORRHZ-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
Fc1ccc(Cl)cc1CC=Cc1ccccc1	2213823572	VDLUOPJTVLGCBL-UHFFFAOYSA-N	246.712	4.735	0	10	BJAE	
CCCNC[C@@](C)(CCC)CCCCC1CC1	2214571017	VUZNUWJGJGNXFJ-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)CC(=O)CC1(C)CC2(CCC2)C1	2215439118	CNKVWMOLBNKESW-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](C[C@@H](N)CCCCC(F)F)CC(C)(C)C	2216415097	UXPVXVNUPOHAAK-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
CC(C)(C)CCc1nc(Cl)cc2ccccc12	2217028985	FSNXOYKHBSXZQG-UHFFFAOYSA-N	247.769	4.867	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CC(C)(C)CC)CC1(C)C	2217127542	HSBXZLMAPWDKSH-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)C)C1CCCCC1	2217154234	RVNDPBMFUOMESO-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
O=C1CCCC[C@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218375068	SHBAPPCXHGIGJS-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@@H]2C[C@H]2C(C)(C)C)CC1	2221613001	BQODVVZQVBJHCB-HWMZRRJGSA-N	249.442	4.523	0	10	BJAE	
CC1=CC[C@@H](CN[C@H](C)C2CCC(C)CC2)CC1	2221620078	WIUHDWCXOOSEGF-JCCCHCCOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@@]1(C)CC=C(C)CC1	2221634184	XWHVTVBEOOAPPS-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](N[C@H]1CC=C(C)CC1)c1ccccc1	2221668187	YEUZNXBVPKUROC-DLBZAZTESA-N	243.394	4.616	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC2CCC2)CC12CCC2	2223551680	ADPJQPKZUFDIFH-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H]([C@H](C)CCC(C)C)N2	2224122773	ZPYZKPYBWGFBSV-ZBFHGGJFSA-N	245.410	4.794	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNc1cccc(Cl)c1	2243031136	QHTOKXPSXLJEAP-NEPJUHHUSA-N	237.774	4.578	0	10	BJAE	
FC(F)(F)c1ccc(CC2=CCCCC2)s1	2243244767	DKOXDDUSKIXAIC-UHFFFAOYSA-N	246.297	4.810	0	10	BJAE	
CCC(=CC[C@@H](C)CCCC(C)C)[C@@H](C)N	2244844825	GXPMUKMQBNJCCU-UONOGXRCSA-N	225.420	4.523	0	10	BJAE	
CC[C@@H](O)CCCC[C@H](C)CCCC(C)C	2244844939	ITFQRPPJBJGEPX-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
CC[C@](O)(CC1(C)CC(C)C1)C1CCCCC1	2246531147	RXGMJGFCTQMILJ-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@H](O)C[C@@H]1CCCCC12CC2	2246613507	BEHFWQCYTGPWFM-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCC(=O)C2CCCC2)C1	2246694401	PSVTVGJTCNRBJP-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCCC[C@@H]2C[C@H]2C)CC1	2247158867	JMTMPTJQSFCACO-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C1(C)CCCCC1	2247176974	SXHLASNYBDYARD-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)CCC1CCCCC1	2247393093	BYYZPKOCDCLQPG-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC2=CCCCC2)CC1	2247468204	KWXLLSOUMYKTTH-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cc(C)c(C)c(C)c2)C1	2249491448	RFUNTEWYUBFILJ-HUUCEWRRSA-N	231.383	4.602	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1(CCC)CC1)NCC	2250372518	PTCXZFRLJZOGKT-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC=C=CCCNCC[C@@H](C)CCCC(C)C	2250494305	AMILTPIKXAMVGW-PFTDAEPCSA-N	237.431	4.550	0	10	BJAE	
CCN[C@H](c1ccc2ccsc2c1)C(C)(C)C	2253067825	MMLRNURBFQZQCL-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@](C)(N)C1CC2(CCC2)C1	2254586971	YYAICZJMTPBAIL-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@](C)(N)C1CC2(CCC2)C1	2254586977	YYAICZJMTPBAIL-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC[C@@H]1CCCC12CC2	2255252505	AUVKRFYIDORJHK-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1C[C@H]1CNc1cccc(C2CCCC2)c1	2260727646	RHXZUMAHIWXWNG-CJNGLKHVSA-N	243.394	4.802	0	10	BJAE	
CCN[C@@H](CCC1CC(C)C1)CC1=CCCCC1	2261487992	BEAFFVKKMVOVSN-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@](C)(N)C1CC(C(C)(C)C)C1	2300507010	FFCOMWFIZKPORA-XUJLQICISA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)[C@H]1CCC[C@H](C)C1	2300689544	ZEMMLCJNKUPPIH-CWRNSKLLSA-N	239.447	4.747	0	10	BJAE	
CCC(C)=CC[C@]1(O)CCC[C@@H](CC(C)C)C1	2300882477	VNTCFHOLWNMPDZ-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC=C(C)CC)NCCC	2300909307	MTPHGJMDDFWGTQ-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CC1CCCCCC1	2301132813	FCCUIKMTNLPJGJ-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC(C)([C@H](N)CC2CCCCCC2)C1	2301147952	OTGMQYBESZGEAK-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CCNC(C)(C)C)CC1CCCCCC1	2301237529	YAYAPRBHRANTLS-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC2CCCCCC2)C1	2301240876	DODCVHIFCVRZTH-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)CC1CCCCCC1	2301247570	RMURIFYDDHPXRS-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)[C@H](C)[C@@H](C)C(C)C	2301831168	BTIBIQRENNJODJ-ZJIFWQFVSA-N	241.463	4.575	0	10	BJAE	
CCCC[C@](CC)(CO)C[C@@H]1CCC(C)(C)C1	2302722672	OWAONRJXGGEADS-ZBFHGGJFSA-N	240.431	4.782	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@@H]1CC[C@@H]1C(C)(C)C	2303445170	OYCFACCRYBVDEU-OLZOCXBDSA-N	238.415	4.700	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC[C@H]2C(C)(C)C)CCCC1	2303473790	VRRCTGPQZPFUEE-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303506660	USIXMGBDQVSITI-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](O)(CC1CC1)C1CC1	2303742416	SOIRUMPEIUFPFG-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CCCC(C)(C)C1	2307817690	RMGYLTLGBYKSAE-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CC(C)(C)CC[C@@H]1NC	2307901720	IYOFNULDZOYWJQ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@H](NCCC1CCCC1)C2	2308399670	CTSQGPKJGZEFJA-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1C[C@@H]2CC[C@H]1C2	2312890480	YHHPGIFSCSIMFB-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](C[C@@]23CCC[C@@H]2CC3)C1	2313345474	BQYGWSVDRPHNQR-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc([C@@H](O)CCC(CC)CC)cc1	2316247010	ZRYCCKGHKNQQHC-KRWDZBQOSA-N	248.410	4.889	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1C[C@H]2CC[C@@H]2C1	2316509032	NGYYACZWEVDLIC-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@]1(CN[C@@H](C)CC)C[C@H]2C=C[C@H]1CCC2	2316731194	MVHTXHLHUZWZKH-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1C(=O)CCC1CCCCCC1	2316886301	VTEIIUHOCCMYEN-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
CCNC[C@]1(CC2CCCCCC2)CC=CCC1	2317007998	BYAGZONOZKCZTF-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](CC)c1ccc(CCCC(C)C)cc1	2318388944	HYMAHZWHQRZVIV-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)[C@@H]1CCC2(CC2)C1	2318575422	FEFFYJFAFVHZKN-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1CCC[C@H](N(C)CCCC2=CCCCC2)C1	2318579847	IXAKQFMMAXNDFO-RDJZCZTQSA-N	249.442	4.778	0	10	BJAE	
CC[C@H]1CC[C@H](N(C)CCCC2=CCCCC2)C1	2318595113	MQGYINHLZHBNKC-RDJZCZTQSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)C2(CC3CCC3)CC2)C1	2319033916	GZDJJZHORBTBKG-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C[C@H]2CC[C@@H]2C2CC2)C1	2319578847	MLEPKVFSKHSBDC-XNRPHZJLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC[C@H]2CC[C@H]2C2CC2)CC1	2319731429	UEZKUOLBZAAMMD-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(CC[C@H]1CC[C@H]1C1CC1)C1CCCCC1	2319738974	RIZNYITUKSPMMN-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)C2CCC(C)CC2)CC1	2320342093	ZKEKCPINAGEVIF-LCDBUSSMSA-N	249.442	4.667	0	10	BJAE	
C[C@H](NCC[C@H]1CCC(C)(C)C1)c1ccccc1	2321536398	AYUYCXDYZKDNNM-LSDHHAIUSA-N	245.410	4.554	0	10	BJAE	
CC(C)CCCCC=C1C[C@H]2CC[C@H]1C[C@@]2(C)N	2327772490	DTPPJDHFVNJSLZ-GVDBMIGSSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C[C@@H]3CC[C@H]2C3)c1F	2327807989	OTJWZRVGOCQQMH-TYNCELHUSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cccc(C2CC2)c1	2328275758	PNTWMEVDPWPDTD-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CC(C)[C@@H](N[C@H]1CCC[C@@H](C)C1)c1ccccc1	35016197	UIRDNLOTVDXAAY-HYVNUMGLSA-N	245.410	4.552	0	10	BJAE	
C=CCCCCCCCCC[C@H](O)CC=C	36373381	RHKXNUYKSNWTSA-OAHLLOKOSA-N	224.388	4.620	0	10	BJAE	
CCCN[C@H](c1ccc(C(C)C)cc1)C(C)(C)C	37506492	GWXGTSOOMDYFEM-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CCc1ccc([C@H](C)Nc2ccccc2C)s1	41202595	JQKFJHAFFAFFLJ-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1CCCCC1	82434236	LNIYOPFGCGAGLS-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCC[C@H](C)CC2)c(C)c1	86887871	DKXIYDLUOXLBEP-LRDDRELGSA-N	245.410	4.993	0	10	BJAE	
CC(C)(C)CC[C@H](N)C1CCCCCCC1	87690335	ZUUSEWMPHSNCTB-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](O)c1cc2cc(C(C)(C)CC)ccc2o1	88072180	IXCJXOCCBRVKES-CYBMUJFWSA-N	246.350	4.564	0	10	BJAE	
Fc1ccc(-c2cccc3sccc23)cc1	89195305	WWWHAXVFOJQVQY-UHFFFAOYSA-N	228.291	4.707	0	10	BJAE	
CC(C)CCC[C@@H](C)NCC1CCC(C)CC1	89575630	UMTPUGNONONIIT-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CNc1cc(F)ccc1F	104008471	JMNXHGBQVJLEPF-LLVKDONJSA-N	241.325	4.593	0	10	BJAE	
CCCN[C@H](CCCC(C)C)c1ccccc1	109656302	LZHVUHSVKIGDQG-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1C[C@@H](C)CCC	109660816	OPIREXOCSKDLTD-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C1CCCCC1	109726785	UIQMEPMSWYVUNM-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCOc1cc(C)ccc1N[C@H](C)[C@H](C)CC	109909793	WPVXPOZUUQJJBL-ZIAGYGMSSA-N	249.398	4.630	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@@H](C)C(C)(C)C)cc1	111649093	PAJNXUXGRMEUDR-CZUORRHYSA-N	247.426	4.882	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](N)C1CCCC1	127282667	NDIINNJWFMRDOU-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC[C@H]1C)C1CCCCCC1	150048274	SBXWLWMHFAUQGT-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCNC[C@@H](C1=CCCCC1)C1CCCCCC1	161447603	ILBYAWKEISNFBM-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H](C)C(C)(C)C)c1C	165225478	BBWGLFBQGCTGCO-GFCCVEGCSA-N	232.367	4.558	0	10	BJAE	
Cc1ccccc1OCc1ccc2ccccc2c1	196877490	JJKJWAYNAGJNNP-UHFFFAOYSA-N	248.325	4.727	0	10	BJAE	
CC[C@H](C)CCC/C=C\CCCCCC(=O)O	206639694	XVHJIIMFAZYVRO-SDQPKGBYSA-N	240.387	4.794	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(CO)C=CCC1	225338397	YFURLVUMDBVWHF-JKSUJKDBSA-N	238.415	4.558	0	10	BJAE	
CC(C)[C@@H](C)c1c[nH]c2ccc(Cl)cc12	232717331	KKRPYUSXWUQHKI-SECBINFHSA-N	221.731	4.581	0	10	BJAE	
Cc1ccc([C@@H](N)C2=CCCCCC2)c(Cl)c1	235893965	SWTMLCHUEIFKTL-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](C)c1cc(C)cc(C)c1	251754912	HEVHPPDZKXBTQO-APHBMKBZSA-N	247.426	4.779	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	253040196	KELKPEJZDZNCGS-ZVDSWSACSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CCC[C@@H](C)CC(C)C)NCC	300877950	ILJWVGROUZMPNM-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC(C)CC(O)(CCC1CCCC1)CC(C)C	302238337	BRIKHOHIEFKIPL-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C1=CCCCCCC1	302252843	CIVMLQYTBVQLMR-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)c1ccc(C(C)C)cc1	302272586	DEVOVMPVFKLYRN-RHSMWYFYSA-N	247.426	4.882	0	10	BJAE	
Cc1csc2cc(Cl)cc(C(F)F)c12	307504684	YQTVAHFRHMFVPB-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](O)C1CCCCCC1	310504222	RZPLLZJJLPYVHH-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C1CCCCCC1	310910359	DXQFTFYMFOOWQQ-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CCC[C@@H](NCC1(CC)CCC1)C1CCCC1	313380084	ALGXXXYKAKOSCW-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCNCC1([C@H](C)CCC)CCC(C)CC1	317348594	MNZDCDFNMYJLRG-HWOWSKLDSA-N	239.447	4.619	0	10	BJAE	
OC1(CC/C=C\c2ccccc2)CCCCCC1	324126720	JJRMPLXLYJJRGJ-SDQBBNPISA-N	244.378	4.565	0	10	BJAE	
CCC[C@H](NC[C@H]1CC(C)=C[C@@H](C)C1)C1CCC1	324628148	DZRQYYOIBCMVBT-UNEWFSDZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCCC(C)(C)C1CC1	328575722	YKSYMPMGNHJEAY-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccc(C(C)(C)C)cn1	384534495	DHDKRHBIDQBCRP-GFCCVEGCSA-N	248.414	4.616	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC[C@@H](O)c2ccccc2)C1	385173889	HOXKAWCTHIHMBG-BFYDXBDKSA-N	246.394	4.717	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC23CCCC3)cc1F	385865346	XQCMDFZBTDKWFA-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CCc1ccc([C@@H](C)Nc2cscc2C)cc1	387267468	CXAWXDFBLXRZHH-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H]1CC)c1cccc(C)c1	388589422	KQJUSYSOFFJIJY-BHYGNILZSA-N	245.410	4.614	0	10	BJAE	
C1CCCC(CCN[C@H]2CC23CCCCC3)CC1	394616785	KAZLIIANTYTYGW-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCOc1sc2c(Cl)cccc2c1CC	396191730	PUZSMQKJNYBYKB-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1sc2cccc(S)c2c1C(F)F	396251616	UFXGRRNLCBQORW-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1ccc2sc(C)c(C(F)(F)F)c2c1	396308325	SBOWAKNNUZVXGE-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1csc2ccc(C(F)(F)F)c(S)c12	396313449	ZBOSGRQHFORNQE-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@@H]1CCCC12CCCCC2	398097455	GAIXCJRMJRZSKJ-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC(C2CC2)C2CC2)C1	400855135	YRGWYGDHWXGNIF-WFASDCNBSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CC(C)(C)C1CC1	405727870	KSFXMNHKMBNOSL-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)c1cccc(C(C)C)c1	688931170	RQGUKAQJPDQDOW-HOTGVXAUSA-N	244.378	4.675	0	10	BJAE	
CC(C)c1cccc([C@]2(O)CCCCC2(C)C)c1	688936614	BSYPVHSYRPEAIQ-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
C[C@H](CC1CCCC1)NCCC1CCCCC1	689808986	OVZYKSKQEMHKPV-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(NC[C@@H](C)C(C)C)cc(C)c1Cl	690263096	SURQDIFQQGYLCO-GFCCVEGCSA-N	239.790	4.661	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H](C1CCC1)C1CC1	691041687	UBPJVGOVMCSDNR-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCCCC[C@H]1CC	691099863	KXGYKDKEWLUKPL-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCC(C)(C)CC)[C@H]1C	696699832	BKYUXUKJRUTXBZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C[C@H](C)CC	697769715	PQAAWMWDQVSNTB-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCCc1ccccc1O[C@@H]1CC[C@@H](C)[C@@H](C)C1	699509057	ZUKIRFUGIHBQRH-IJEWVQPXSA-N	246.394	4.843	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@]1(C)CC1(C)C	702166536	RPFDPEHEQKWTGV-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCNc1cccc(Cl)c1F	703990546	IDYDLFOXWJTGCE-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCCNCC(CC)(CC)[C@H]1CCCC[C@@H]1C	704845258	PMTSMWFTPCBQRW-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(N)C2CCCCC2)C1	704861309	NRRIZPUYKNQADQ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CNCCC1CCCCC1)CC(C)(C)C	709131324	WKZXDPGUAMKRSV-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(CC)c(Cl)c1	709265651	OCTWYZBZWQGDHV-GFCCVEGCSA-N	239.790	4.893	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(N)[C@@]23CCCC[C@H]2C3)C1	709275390	KIJLEZONTXYHPY-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C1CCC(CC[C@@H]2CC[C@@H]3CCCC[C@H]3N2)CC1	712299347	LFIVAPZXHLJQCN-GVDBMIGSSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(N[C@H]2CC(C)(C)CC[C@@H]2C)cs1	713057763	HZGZCNSKTRLJGF-GWCFXTLKSA-N	237.412	4.683	0	10	BJAE	
CCCC[C@H](CCC)NCC(C)(C)C(C)C	713267793	IZNCJYFZLDYOSN-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@@H]1C[C@H]1C(C)(C)C	713747487	KFFDOBZWFPVBGJ-QEUCZHLPSA-N	249.442	4.559	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(C2CC2)s1	716650657	NDIWYDNTABOEEH-SNVBAGLBSA-N	236.380	4.635	0	10	BJAE	
CC1(C)CC[C@@H](CCC2CCCCC2)[C@H](O)C1	717488655	LVYLNGKQRDJOID-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCCC1(CNC(C)(C)C)CCC=CCC1	718109532	MKDBGYHHBTYQIK-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)[C@@H]1CCCCC1(C)C	718604886	YZOTUJZQBFDPPD-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CCCC(C)(F)F)CC(C)(C)CC	718668582	YZDFTIKAEAOAQA-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCC(CCC)N[C@@H](C1CCCC1)C1CC1	723958237	FRRMCTVVNSVYHS-INIZCTEOSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C1CCCC1)C1CC1	723959402	QXKLMGKVFUCKFX-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)NCc1ccc2sccc2c1	1257247728	IHWVCDIKQCTTKE-AWEZNQCLSA-N	247.407	4.570	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)C[C@H](C)CC(C)C	1307687965	CFIQHBFSTWTEMQ-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
C1CCC(CCN2CCCC[C@@H]2CC2CCC2)C1	1473664138	RBOMIGHVCBQFCP-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCC1(C)CCN(C[C@@H](C)CC(C)(C)C)CC1	1641649624	IOMWXBQZFALNSZ-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)CC1(N)CCCCCCC1	1905302245	HQLVICYDQXBDCF-CQSZACIVSA-N	225.420	4.645	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)C(C)(C)CCC	1905355077	WDDIROKNYNKOSI-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC(=O)C[C@@H](CC)C1	1905431524	KRBYKUMVNTVMSC-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@]1(O)CCCCCC1(C)C	1908564710	SCXIJSPGXJPNOK-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
N[C@@H](C1=CCCCCC1)C1CC2(CCCCC2)C1	1912592533	JOLBQHWQQPXRLQ-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(Cl)c(NC2CC3(CCCC3)C2)c1	1912721559	YUYNTXLAVQUWLV-UHFFFAOYSA-N	249.785	4.783	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](C)C2CCCCC2)C(=O)C1	1916065569	CWQKJBPDGGCKJW-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@H]1[C@@H](N)C[C@H](C)C[C@H]1C	1916068899	ZPGLAFZPTSHXTK-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(O)CCc1ccccc1	1919917804	OIXMPPJPERLSGN-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
CCC1CC(CNC2CC2)(C2CCCCCC2)C1	1921211740	FTDPEQYFIVCSOR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(C(=O)c2ccc(CC(C)C)cc2)C1	1921305455	MDCOIXFPQIQBOC-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)[C@@H]1CCCCC1(C)C	1921416274	IKOHAUILYFAOFJ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CNC[C@]1(C[C@H]2C=CCCCC2)CCC[C@H](C)C1	1925803062	PRFDUPCFVIVDLA-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CCNC1(CC)CCCCC1	1926190711	CVYLKFWEQDSNRQ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1cc(Cl)sc1C	1933700982	FZVPOBRPMXTDIY-KCJUWKMLSA-N	245.819	4.536	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC1(C)CCCCC1	1935618739	SPRHILXFWBODJI-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)c1ccccc1Nc1cc(Cl)ccn1	1940371383	WBSIQXBVCJPGBP-UHFFFAOYSA-N	246.741	4.602	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CCC=C(C)C)NCC	1941272536	LSDIYBZKYUUPID-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CC(C)C[C@@H](C(=O)CC(C)(C)C(C)C)C(C)C	1941273414	RPQRPNNYJTVOLA-CQSZACIVSA-N	240.431	4.946	0	10	BJAE	
C[C@@H](C[C@@H](N)CC1CCC=CCC1)C(C)(C)C	1941795087	GGDJULSCDXBBIE-DZGCQCFKSA-N	237.431	4.523	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)C1(C)CC(C)C1	1941983398	GYFBACWUHNQWBQ-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CN[C@H]([C@H](C)CCC(C)C)C(C)(C)C(C)(C)C	1942652120	DOUDWYDSOFXZTP-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CCC(C)(C)C[C@H]1C	1942657937	GOVFXJCLFRPRDX-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C[C@H]1CC1(C)C)NC	1944749235	HBTGEQHJIIRKOU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC(C)(C)C2CCCC2)C1	1945382737	QDBIYZRXBLXLJM-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCC1([C@@H](N)CC2CCC(C)(C)CC2)CCC1	1948923190	DEOYOXHBKDDVER-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(C1=CCCCCCC1)C1CCC1	1948955384	UPVNCNSOBBBYMB-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)[C@@H](C)C1CCCCC1	1948982717	XSVOOMFNKCPRDP-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CCCC1([C@@H](N)CCCCCC2CC2)CCC1	1949082476	JKDDNOHKIUZJEA-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCC(C)(C)[C@H](NC)C1	1949654704	WHVRLUZSKVTZPE-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC=C(C)C)CC1CCCCC1	1949920254	YPORBSJDUUHOLU-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@H](CC2(CO)CCCCC2)C1	1950370417	CCNIDTXDLWPJRX-LSDHHAIUSA-N	238.415	4.536	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@@H]1CC12CCCC2	1950668315	LTRQPLNYTFJVKA-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@H]2CCC(C)(C)C2)CC1	1950922888	QQKLNJRUQLQZSY-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)N(CCCCC1CC1)CC(C)C	1963160892	KEOOICWENYLFIQ-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2CCC3(CC3)C2)cc1	1968293481	KWFIIYPWDLTREC-CQSZACIVSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@H](NC2CC3(CCCCC3)C2)C1	1972430250	ORADRZIFWORASA-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CCNCC(CC)(CC)CCC(C)=C(C)C	1978637703	MSUAVKCZZQEDQU-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CCCCCC1(N)CCC(CC)(CC)CC1	1981060236	HFSNOGIETOHOEH-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CC=CCCCOc1ccc(C(C)C)cc1	1984595156	MBFGXUZABFNWER-UHFFFAOYSA-N	218.340	4.545	0	10	BJAE	
CC=CCCCC[C@H](O)c1ccccc1Cl	1984604636	AIZPWJFKFMPQAT-AWEZNQCLSA-N	238.758	4.510	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@H](C)CC)NCCC	1984637996	CWMFSXKEIKTILF-QKNOVVFDSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](CCCC(C)C)NCC	1984650420	XGEQKPPLKIHWAX-ZKKXHLJNSA-N	225.420	4.537	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](Nc2cccc(Cl)c2)C1	1994914736	QVJOYACXLNAHNZ-RISCZKNCSA-N	237.774	4.577	0	10	BJAE	
CC[C@H](C)Cc1coc2c(C)ccc(Cl)c12	1995464050	QDSNXVNVFMMHCY-VIFPVBQESA-N	236.742	4.983	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)CC2(C)CCC2)CC1	1996562619	WLZXHUXVVILHBT-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@@](C)(N)C2CCC(C)CC2)CCC1	1996566471	IYNKNFJXBSEMJF-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(N)C1CCC(C)(C)CC1	1996593670	HOLVBQNVAOROKN-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCCC(C)C)CC1	1997116973	OFESIZJNFUMHOP-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](NCCC)[C@H]1CCCC(C)(C)C1	2000050307	FMHPVLCWDRKLGP-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCCN(CC(C)(C)CC)c1ccccc1	2000909757	RCHUWSVTGZDOLO-UHFFFAOYSA-N	233.399	4.729	0	10	BJAE	
CC1(C[C@@]2(O)CCCC[C@@H]2C(C)(C)C)CCC1	2001142809	XYSINSUCMWPNQA-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2001484851	BOBBRQBAFWMVHL-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1CCCC(C)(C)C1	2002980599	YMZLLLXWZDJIEZ-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCCCCC1CCC([C@@H](O)C2CCC2)CC1	2003108649	NVMLEOWSVXBWHA-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@H]1CCCCC(F)(F)C1	2003177539	YCDMCZLMQOZUJS-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
O=C(CC[C@@H]1CCCC2(CC2)C1)c1cccs1	2003678029	CKAYKLRNPPRCTL-LBPRGKRZSA-N	248.391	4.681	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCCCC23CC3)c1	2005535228	CUEXSMAVRYHAAR-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
CC1CCC(C)(C(=O)CCCC(C)(F)F)CC1	2007682929	HVSNCZBAISEOPD-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C1(C)CCC(C)CC1	2007695988	LCAOLHQBISMSIR-YHNBSYBMSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC1CC(C(C)C)C1	2007739413	YBTHMFUVELRLDY-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CCC1CC(C[C@](C)(N)CC2CCCCC2)C1	2007751357	ZFTFBDWTGBRPSO-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](C=C1CCCCC1)NC	2007946019	NHGKBXLHIGBGBI-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CC[C@H](C)CC[C@H]1NCC	2009407467	NIPSUKWDCYPOAS-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H]1CCC(C)(C)CC[C@@H]1O	2009407589	OAXYYIYHVGWKBF-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CCCCCC1(F)F	2009569541	PYBCJVHUTGQBSS-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
C/C=C/CCCN(CC(C)C)c1ccccc1	2009573229	QNEVWXREIKANIE-SNAWJCMRSA-N	231.383	4.505	0	10	BJAE	
CC=CCCCCc1cc2ccccc2cn1	2009591902	KMJZEQWSTDGIPC-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CCCN[C@H](CC(C)C)C1=CC[C@@H](CC)CC1	2010716194	VSMWIDNOFFXGDZ-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC1=CC[C@@H](CC)CC1)CC(C)C	2010768807	LPHMAWVYDUOHPB-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2012009747	SOVWBWBOHVCISD-ZSOGYDGISA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@@](CC)(CNC(C)(C)C)C(C)C	2012440374	PXTULIKFNXYSLB-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@@H](C)Nc1ccc(C(C)(F)F)cc1	2012750967	YFIWHALGKKHZMA-LLVKDONJSA-N	241.325	4.645	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC12CCC(CC1)C2	2012796237	CFDXCRMDTXTIEN-BBBYJDLNSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CC1CC(NC2CCCCCC2)C1	2014652696	PRILZWBPYXDUFN-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC([C@H](O)C[C@H](C)C(C)C)CC1	2015269356	HEDZQYBSOQWXKC-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)C)[C@@H](CC(C)C)C(C)C	2015292030	XGYPMYGWCBVOAB-HRCADAONSA-N	241.463	4.575	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC[C@H]1C1CCC1	2017041814	DMMNQIITLPPJEP-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](O)CC[C@H]1CC[C@H](CCC)CC1	2017712900	TZIZEHLPVGAHAA-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CC1CCC(CC)CC1	2017724823	ZPLGPEWOBRYSQA-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CCCC1(C[C@@](C)(O)C(C(C)C)C(C)C)CC1	2018962838	OXAAXYHUIRUKLH-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CCC1)C1CCC1	2021026085	KGRNKPXBRPGNKF-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CCN(C1CCCCCC1)[C@@H]1CCCC1(C)C	2022052776	WXLZMYMQHUQSBU-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1cc(C)oc1C	2026078435	DHLJEGSINHSRKZ-LLVKDONJSA-N	236.355	4.686	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC[C@@H]1CC1(C)C	2026081949	NGIOIXIRNADJOV-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)C12CCC(CC1)C2	2027314015	LTNJGAZTAARCRZ-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)C1CC2(CCC2)C1	2027856040	USZWTXYOKKUOAY-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC=CC[C@]1(CNC(C)(C)C)C1CCCC1	2027924623	WOLVPNFZAQDCFW-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@H](NCC)C(C)(C)C1CCCC1	2032300868	LCAKHILVNDXHIQ-INIZCTEOSA-N	249.442	4.703	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1[C@H]2CCCC[C@H]21	2032774997	FIDYDHFAZDPLFY-FVQHAEBGSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)[C@@H]1CCCC[C@H]1C3	2034150184	VFNWSNOARZVUGB-QWHCGFSZSA-N	239.362	4.615	0	10	BJAE	
O=C1[C@H]2CCCC[C@H]2C[C@H]1CC1CCC=CCC1	2034262316	ZREUXKAPHWJEOX-XHSDSOJGSA-N	246.394	4.518	0	10	BJAE	
C[C@@H](NC1CCCCCCCCC1)c1ccco1	2035889252	DBDBBPLPQOODAH-CQSZACIVSA-N	249.398	4.823	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CC2CC3(CC3)C2)CC1	2036725813	VWEFOGWBMUSDTO-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1([C@@H]2CCC3(CCCC3)C2)CCC=CCCC1	2037688012	WDVFNXVDPNUJGU-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC(C)c1ccc([C@H]2CCC(C)(C)C(=O)C2)cc1	2037859576	ZGKSNOWVDFAYCH-HNNXBMFYSA-N	244.378	4.673	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)[C@@H]1CCC[C@@H]1C3	2038552381	IUUQQDIJXKUBCN-CHWSQXEVSA-N	239.362	4.731	0	10	BJAE	
Cc1ccc(C)c([C@H](N)[C@H]2CCC[C@@H](C)CC2)c1	2039364085	VAZATFLLJKGUGM-ISTRZQFTSA-N	245.410	4.520	0	10	BJAE	
C=CC=CCC[C@@]1(CNC)CCCC(C)(C)CC1	2039379973	DWJGGEFFCQYVJB-QGZVFWFLSA-N	249.442	4.705	0	10	BJAE	
CCC/C=C/CN[C@@H]1CCCC2(CCCCC2)C1	2040765097	LZSDCDXYNSHLEK-KZJSRBBCSA-N	249.442	4.825	0	10	BJAE	
C[C@H](CC1=CCCCC1)NCC1(C)CCCCC1	2043187058	JGTLMGXMTLJQCC-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](C[C@H]1CCC=CCCC1)C1CCCC1	2045323724	OQLCCQHGSNBBMA-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCc1cccc([C@@H](CCCC(C)C)NC)c1	2045641981	SOJKFHDCUNOWTN-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@@H]1C(C)=CCC[C@@H]1C	2045746246	IGFSVOLUYLWPJR-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C1=CCCCCCC1	2045800465	VQCKYGYKKAVJCN-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CCC23CCC3)c1	2047959901	UVETVXJLGMUVNV-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CCN[C@H](c1ccc(C)o1)C1(C)CCCCCC1	2048265514	GEWWZDZVRJPQFW-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
C[C@H](C=C1CCC2(CCCN2)CC1)CC(C)(C)C	2048954637	YIMNKWYTHKQBTC-XPCCGILXSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)[C@]1(C)C=CCC1	2050008169	SLWVOOWODDCYFV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@]1(C)CCc2[nH]c3c(C)cc(C)cc3c2C1	2051617428	OVLSFWSGJPSQTH-KRWDZBQOSA-N	241.378	4.690	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@H]1CCCCC12CC2	2053329632	YWXOTNDLHOLEFY-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CC)CNc1cnccc1C(C)C	2053856584	NXCMAUFOOXKHEQ-UHFFFAOYSA-N	248.414	4.833	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CC1CC(C2CCC2)C1	2056638780	AEXZDBWTPADQFQ-VFNXUKNFSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C1CC(C2CCC2)C1	2056683847	ZINMQWDZFVEELD-JCYILVPMSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C[C@@H](C)C2CC2)cc1	2057356938	HRPZXFFIFTWVQL-CYBMUJFWSA-N	244.378	4.504	0	10	BJAE	
CCC1(C)CC(N(C)[C@@H]2CCC3(CCCC3)C2)C1	2058852096	KBKOYLBUVGJDOZ-QQFBHYJXSA-N	249.442	4.610	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CC12CCCC2	2059265904	AZXRUYYIRWLSHS-TVKHYIBRSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC(Nc2ccccc2C(C)(C)C)C1	2059391701	GTHWEZXIJQODDD-UHFFFAOYSA-N	245.410	4.975	0	10	BJAE	
CC[C@@]1(C2=CC[C@H](C(C)C)CC2)CCCCCN1	2061089988	XLHJREKKDNUFSX-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)C2(C)CC(C)(C)C2)CC1	2061114876	BXAVXXGNIYMFFV-DZGCQCFKSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CCC[C@H](C)[C@@H]2C)CC1	2061121480	GMOVBNTYOCGTGI-MPTYRVRUSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H]2CCC[C@H]2C(C)C)CC1	2061144101	OSLIHKZCOFKZHR-XBVQOTNRSA-N	249.442	4.523	0	10	BJAE	
CCCC1CCC(N)(CC[C@]23CCC[C@H]2C3)CC1	2061615794	HMSJWYXRESIQRM-YZUHTNEWSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CC1CC(=C2CCC2)C1	2061656482	IPJOVJCGEORRRO-GUYCJALGSA-N	247.426	4.565	0	10	BJAE	
Fc1cccc2cc(CC3CC(=C4CC4)C3)oc12	2061718689	OVTLBRUGVXTUTD-UHFFFAOYSA-N	242.293	4.615	0	10	BJAE	
CCc1ccc([C@H](N)C(C)(CC)CC)cc1CC	2061868464	HMKCNMIWTIWTNC-INIZCTEOSA-N	247.426	4.638	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063489897	GYWALCPYYBWAHM-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CCC(=O)C1C[C@@H]2CCC[C@H]2C1)C1CC1	2063516507	PFBSFGZYDSRVLM-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CCc1cc(N[C@@H](C)C2CC3(CC3)C2)ccc1C	2064497522	KRDFFCVRJWBCDI-ZDUSSCGKSA-N	243.394	4.548	0	10	BJAE	
CCC1(C(=O)CC23CCC(CC2)CC3)CCCC1	2065279510	KPOAEJOWWGUXIZ-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1C[C@@H](CC2CC(C)(F)C2)Nc2ccccc21	2065816970	IWRPFJOKOGCUTF-ZMDMRTEPSA-N	247.357	4.503	0	10	BJAE	
CC(C)C(CC=C1CCC2(CC1)C[C@@H]2N)C(C)C	2068946001	JMFVSAQMYVLFHA-BHWOMJMDSA-N	249.442	4.523	0	10	BJAE	
CCCC1(CC(=O)C2CC[C@H]3C[C@@H]3CC2)CCC1	2069267364	AAKAZIFWYZIHBE-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC1(CN[C@H](C)C2CC=CC2)CCCC1	2070808345	PRVZNXZJOAWWJU-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccccc1OCC	2073348609	ZCYDMRRTHJFVFT-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
CC(C)c1ccc(OC[C@@]23CCCC[C@@H]2C3)cc1	2074089838	GGOYPUTZBYAILL-WBVHZDCISA-N	244.378	4.769	0	10	BJAE	
CC1(CN[C@H]2C[C@@H]2C2CCCCCC2)CCCC1	2079525370	ACVZLHGQNKRQMT-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H](CC)c1ccccc1	2079865195	NWWNXOIVYOGUPY-BZUAXINKSA-N	244.378	4.576	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1cccc(C2CCC2)c1	2081777812	HHAWRBSKKLRIQK-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCc1occc1C(=O)C[C@@H]1CCCC(C)(C)C1	2082981337	CIDDGHDXKFPTQO-LBPRGKRZSA-N	248.366	4.631	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CCC=Cc1ccccc1	2210662468	OVZCTRWUARSEOY-ZBFHGGJFSA-N	214.352	4.916	0	10	BJAE	
CCCCC[C@H](CC)NC1CC(CC2CC2)C1	2213400415	XVLVPISTWJKHGH-PCKAHOCUSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CCCCCCC2CC2)C1	2213580949	QPTJNENIJOTJOI-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](N)CCCCCCC1CC1	2213581854	BCTFYLRVHNPUJU-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1(C)CC2(CCC2)C1	2215322244	RMHLWSDAFQPSBH-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
Cc1sc(C(=O)C[C@@H]2C=CCCC2)c(C)c1C	2215538326	KIIJKVQVQKCDNZ-CYBMUJFWSA-N	248.391	4.602	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H](C)C(C)(C)C)CC1	2215820399	DGAZJWZSCIFEKA-XJKSGUPXSA-N	236.399	4.764	0	10	BJAE	
CCCC[C@@]1(CNC(C)(C)C)CC=C(C)CC1	2215836591	BLURWWIWGVONRF-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC1(CC[C@@]2(N)CCC[C@H](C(C)(C)C)C2)CC1	2216250493	AYJITANHQVPAJI-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@]1(CN[C@H](C)CC)CCCC12CCC2	2217134305	CJXFHFBAYIIDJU-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NCC(C)(C)CC(C(C)C)C(C)C	2217140371	WFQROSRYFHHIQU-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
C(CCCC1CC1)CCNCC[C@]12CCC[C@H]1C2	2218729859	DYIFUBRCAKEONF-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@]12CCCC[C@H]1C2	2218732350	QTBYRBLYNBPPDR-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@@]1(N)CCCCC1CC1	2220027354	HUHLJACOLNIRGS-USXIJHARSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1cccc(C2(C)CC2)c1	2220926316	UNNCUKGHUYQZPB-KGLIPLIRSA-N	243.394	4.586	0	10	BJAE	
Cc1ccc(NCC2(C)CC3(CCC3)C2)c(C)c1	2221025189	JAOIEVASBMWSEQ-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CC[C@@H](NC[C@@H]1CC=C(C)CC1)C1CCCCC1	2221618838	LMQFHMYVJRZDCZ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@H]1CC[C@@H](C)C1)[C@@]1(C)CC=C(C)CC1	2221634032	WZULDGFALMIREO-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H](C)[C@@H]2CCC2(C)C)CC1	2221639438	BMYPHHPPLYIPNC-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CC(C)(C)C[C@@H]2C)CC1	2221643862	PLNBAEJESBAWAI-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@]1(C2CC(CC)C2)CC=C(C)CC1	2221668077	NVOPZIYZQBKTQW-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@@H]1C=CCCC1	2223107349	YHOWLWCVXLWZFB-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC1([C@H](N)CCCCCCCC2CC2)CC=CC1	2223118059	LWDYTIUYDCWRLO-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC2CCC2)C=CCCC1	2223543363	YJMRXJQJVWXOHE-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@](CNC2CCC2)(C2CC2)CC1	2223578218	TXVVWHSMKOTIQO-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CCC2)CCCCC12CC2	2223590705	ZIUBDHQLVWCGFH-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)C1(CNC2CCC2)CCC=CCC1	2223597302	NBBJSFSTCUYPBN-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)c1cccc2ccoc12	2224181560	QHSZSOWKNWRQAB-IUODEOHRSA-N	245.366	4.520	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)CCC(C)(C)C	2243067473	RKZOXDXJVOGZPW-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCCC(=O)C(C)(C)C	2243920718	FXSDXZIBBYNGJU-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H](C)CC(C)(C)C	2244779645	DZWJZFFQSZLUMK-OLZOCXBDSA-N	226.404	4.844	0	10	BJAE	
CCC(CC)[C@@H](N)CC[C@@H]1CCCCC12CC2	2246623405	MHBSQENKIXTION-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC[C@@H](N)C2CCCC2)C1	2246657279	RBUUEYHNQAELLW-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCC(N)(CCC)CC1CC2(CCCC2)C1	2246820636	UQTNQTMKQYGOPL-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(C)cc(OCCCC[C@H]2C[C@@H]2C)c1	2247121084	PECUFEIFRAAZBM-GJZGRUSLSA-N	232.367	4.509	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC1(C)C)CC(C)(C)CC	2247305115	ZDIPIIOIEXENMI-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCN(C)CCCCC[C@H]1C[C@@H]1C	2248840777	MDXCVJCSEDNRDV-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
CC[C@](N)(CCCCC[C@H]1C[C@H]1C)C1CCC1	2248877456	GBAKGEXVBLBIRR-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)CCNc1cccc(C(C)(C)C)c1	2249233515	KJMJXXKXPOJFNN-ZDUSSCGKSA-N	233.399	4.832	0	10	BJAE	
CCCCC[C@H](C)Nc1cc(C)c(C)c(C)c1	2249485423	BRXGKNQJLMRMAJ-AWEZNQCLSA-N	233.399	4.993	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1CC2(CC(C)C2)C1	2250439606	AONZFKCWXOIUPN-SWAPUOLTSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)C1(C)CCC1	2250467895	XNYFJESMVNSIOX-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@@H](N)CC[C@@H](C)CCCC(C)C	2250479173	QSDYSEWJZDRCQT-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CC1=CC[C@H](CC[C@H](C)CCCC(C)C)[C@H]1O	2250487189	YDQXTVRMDFDSJC-KBMXLJTQSA-N	238.415	4.556	0	10	BJAE	
CC(=CC[C@@H](C)CCCC(C)C)[C@@H]1CCCN1	2250514066	LZOPVAVXSYHUFB-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)C(=O)C1CC(CC(C)(C)C)C1	2251534751	JVLVTUGBQFEKRT-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)C[C@@]1(N)CC(C)(C)CCC1(C)C	2251667951	XKYUTEWRNVDMEV-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc(-c2nc([C@H]3C[C@H]3C)c(C)s2)c1	2252741950	BPXPRTLLQIIEJR-MFKMUULPSA-N	243.375	4.550	0	10	BJAE	
CCN(c1ccc(F)cc1)[C@H]1C=CCCCCC1	2253417042	UNNXWPVINLLPGX-HNNXBMFYSA-N	247.357	4.541	0	10	BJAE	
CC(C)CCCCC=C1CN[C@H]2CCCC[C@H]2C1	2253816693	KEDNPAOZLGLCRO-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1CC2(C1)CC(C1(N)CCCCCCCC1)C2	2254462574	UYCKZGWGXONDPD-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C(=O)CCCC[C@@H]2C[C@H]2C)ccc1F	2254608184	JYGJTVVGNKERLO-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
Cc1cccc(-c2cc(C=O)cc(C(C)C)c2)c1	2254743632	JXVULHLFQJYPPB-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
C1=C(CN2CCCC[C@@H]2C2CCCC2)CCCC1	2255134560	VVMRPSNVMCGNHD-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
C[C@H](NCCC1(C)CCCCC1)[C@H]1CC12CCC2	2256429755	WGBKFVXKIDQNGN-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCc1occc1C(=O)CCCCC[C@H]1C[C@@H]1C	2257283994	PQTLONQLFLWTBY-STQMWFEESA-N	248.366	4.631	0	10	BJAE	
CCc1ccccc1NCCCCC[C@@H]1C[C@@H]1C	2257320792	JJRUYKXJDQXCKF-GOEBONIOSA-N	245.410	4.877	0	10	BJAE	
CCCC[C@H](C=C1[C@H]2CCC[C@@H]1C[C@H](N)C2)CC	2258079543	QMJKVLKHBXMRFH-WCVJEAGWSA-N	249.442	4.667	0	10	BJAE	
CC1CC2(C1)CC(C[C@@H](N)C1CCCCCC1)C2	2259546351	ZADIQWSQUKXRRR-DZTUWMGKSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@]12CCCC[C@H]1CC2	2260503097	BGJHCTIEPKRDHX-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](NC[C@@]2(C)C=CCC2)C1	2261392640	PTIJXJUKNDOXRT-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	2297867429	HOQXBINGCKIHQM-HLPPOEQASA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@@H]1CCC[C@H]1C)NCC	2298646061	JFQUKHYYYJFSQM-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H](C)CCCC(C)C)CCC1	2298841027	XWVWLIVPIWFCCE-GOEBONIOSA-N	237.431	4.680	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cc(C)cc(C)c1	2300683003	FKGVWRFNRSQVBX-INIZCTEOSA-N	233.399	4.520	0	10	BJAE	
CCCN(CC=C(C)CCCC(C)C)CCC	2300883609	HYFQZSGTFCRDMT-UHFFFAOYSA-N	239.447	4.881	0	10	BJAE	
CCC(C)=CC[C@]1(N)C[C@H](C)CC[C@H]1C(C)C	2300919992	BMGMGRFQZZBMGW-PMPSAXMXSA-N	237.431	4.523	0	10	BJAE	
CCCCC[C@@H](O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301136501	XYZYZKGRRDRXCT-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](C)[C@@H](C)CNC(C)(C)C	2301832756	MZGXGLYWRJGHTE-AJNGGQMLSA-N	241.463	4.575	0	10	BJAE	
CCC1CCC(C[C@@](C)(N)[C@H](C)C(C)C)CC1	2301936397	VROUMBKLDFGIDE-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCC(C)=C(C)C1)C(C)C	2303585316	VLDMVHOFGPWAMW-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)[C@@H](C)CC(C)C)CC1	2303603647	VHTXVKVYODZFNF-ARFHVFGLSA-N	237.431	4.536	0	10	BJAE	
CCc1cc(F)cc(N[C@H](C)CC(C)(C)C)c1	2304021329	HDQSPZRMBBDSJY-LLVKDONJSA-N	237.362	4.625	0	10	BJAE	
CC(C)CC[C@](C)(O)CC[C@@H]1CCC(C)(C)C1	2304351476	HYYBBURJZLKFKT-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C(C)(C)CCF)C1	2304421954	CXEZBNJBPRZIIJ-GFCCVEGCSA-N	242.378	4.548	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@H](C)c1ccccc1	2307747547	QEVGKSVWVLGBDK-HUUCEWRRSA-N	233.399	4.506	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H]1CCCC(C)(C)C1	2307762471	BNTNNAOWSDLTOW-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C[C@H]1C1CCCCC1)C1CCC1	2311609021	IFXOTISXVILHFT-KCXAZCMYSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CC2CCC2)CC=CCC1	2313597606	BUCUGIWRAJYUOG-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](NCCC)c1ccc(C)c(CC)c1	2314701372	BRHXEKZUKCETSG-KRWDZBQOSA-N	247.426	4.788	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@@H](C)C(C)C)c1cccc(C)c1	2317629603	JJZSHJAOYRATJA-ZOBUZTSGSA-N	247.426	4.716	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)C[C@H]2CC[C@H](C2)C1	2318556775	DLPZZJSHVJNJJP-FVQHAEBGSA-N	248.410	4.598	0	10	BJAE	
NC1(CCCC2=CCCCC2)C[C@H]2CC[C@@H](C2)C1	2318570810	YESGHZVCAATQRP-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(CN)CCC=CCCC2)C1	2319073646	PATKQNGILATHJJ-DOTOQJQBSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN(C)[C@@H]1C=CCCCCC1	2320019194	KOJAITPYAOVNHP-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CCN[C@H](C=C1CCC1)c1cccc(C(C)C)c1	2320528215	SNEVHFNDAFKJJI-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
C[C@H](CC[C@H]1CCC(C)(C)C1)c1ccc(N)cc1	2321608608	QMDHEUOQTKDZRG-KGLIPLIRSA-N	245.410	4.979	0	10	BJAE	
C=C=CC[C@H](CC[C@H]1CCC(C)(C)C1)NCCC	2321608636	QWGYJAQRVQXXTE-JKSUJKDBSA-N	249.442	4.692	0	10	BJAE	
CCC[C@H](CC)CN1CCCC[C@@H]1c1ccco1	2328273700	CYUQVQCNKHVVHW-LSDHHAIUSA-N	249.398	4.633	0	10	BJAE	
CCc1ccc2nc(C(C)(C)C)cc(Cl)c2c1	36912844	CEAXVKNOCLREGD-UHFFFAOYSA-N	247.769	4.748	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CCCCC2)cc1F	37213197	XSWHWZXRIFIOCP-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CC[C@H](N[C@@H](C)CCCC(C)C)c1ccco1	54083416	UYJHFEQLZQHIOE-KBPBESRZSA-N	237.387	4.535	0	10	BJAE	
CCCCC[C@@H]1CCCC[C@H](NCCC)C1	70746197	MXIHRPGDOWZSDJ-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCCC[C@H](NC)C1	80412391	YJWRVSUZFIADHA-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
Fc1cccc(-c2cccc3ccccc23)c1	82062261	LQQBUKZVJIFTRL-UHFFFAOYSA-N	222.262	4.646	0	10	BJAE	
CC(C)(C)Oc1ccc(Nc2ccccc2)cc1	82716470	JVDTTXUNRISDAV-UHFFFAOYSA-N	241.334	4.608	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)c2ccccc2)CC1	86893331	DTYJUUNDKXAHJX-UXLLHSPISA-N	245.410	4.696	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2ccc(F)cc2)CC1	86893866	OQNKEDQMFJGRBQ-CYBMUJFWSA-N	235.346	4.597	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C2CCC(C)CC2)CC1	86895436	MFJPFLBFMCAWCT-GRAKBVBRSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C1(CC)CCCC1	94900972	YIGIQAYUJCWCEX-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C[C@@H](Nc1ccc2ccccc2c1)C1CCCC1	104027630	XSNIAJMXYCNYOE-CYBMUJFWSA-N	239.362	4.830	0	10	BJAE	
CC1=C(Cl)c2ccc(Cl)cc2C1(C)C	104835850	AVEPGDHLUXCBDQ-UHFFFAOYSA-N	227.134	4.601	0	10	BJAE	
CCC1CCC(N[C@H](CC)C[C@@H](C)CC)CC1	109928719	DFHWAAUGARLODX-JWMHWRSXSA-N	239.447	4.760	0	10	BJAE	
CCCc1ccc([C@@H](NCC)C(C)(C)CC)cc1	110209982	OSBKJXGSQCXIPE-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCCC)c1ccco1	110226573	DXHZKVTZUWSUGK-HIFRSBDPSA-N	237.387	4.537	0	10	BJAE	
Cc1cc(C)c([C@H](C)N[C@H](C)C(C)(C)C)cc1C	122551716	BQMZAJLWJDLWPW-LSDHHAIUSA-N	247.426	4.697	0	10	BJAE	
CCCCCC[C@H](O)c1cc2cc(C)ccc2o1	124179005	RXYATRSYMRJTPT-AWEZNQCLSA-N	246.350	4.745	0	10	BJAE	
CC[C@@H](C)C[C@H](CNC(C)(C)C)C1CCCC1	128315110	YGNNLYMAAACLMO-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)(C)C)c1cccc(C)c1	229311219	VMNJMPYPSJFNLG-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
CCCNC[C@H](c1ccc(C)cc1)[C@H](C)CCC	233087814	IVIKXTIALHCQEJ-WBVHZDCISA-N	247.426	4.514	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc(OCC(C)C)c1	233284550	QUSPYTKZEVRDBO-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(N(CC)CC)cc1	233348873	JMLKZWZZTHQOTC-AWEZNQCLSA-N	248.414	4.523	0	10	BJAE	
Fc1cccc2c1NC[C@H]2CCC1CCCCC1	236156289	CDHNTEYHVYNWIP-CYBMUJFWSA-N	247.357	4.695	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](C)c1sccc1C	251732885	FRYWWKLOWAGJRI-CYZMBNFOSA-N	239.428	4.532	0	10	BJAE	
CCC[C@@H](C)[C@H](N)C(CC)(CC)c1ccccc1	300461041	CUCCIKXHBUSHSX-ZBFHGGJFSA-N	247.426	4.508	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCCC)C(CC)CC	300905946	JLEAZSBMLQXRND-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(C)cc(O[C@H]2/C=C/CCCCC2)c1	302306436	ASGASDMKUXJTIY-VFADXPBXSA-N	230.351	4.571	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C1=CCCCCCC1	302542846	UCVVBSJLIWOEPS-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
C[C@H](CCC(C)(C)C)Nc1cccc(Cl)c1	304367349	IUDQKUUXHLTARU-LLVKDONJSA-N	239.790	4.967	0	10	BJAE	
CC(C)CC[C@@H](C)NCC1CCCCCCC1	305937044	QHSVKNXAAROCAJ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]([C@@H](O)c1cccc(C2CCC2)c1)C(C)(C)C	305952718	AJWBRRXLQMFRMV-BLLLJJGKSA-N	246.394	4.670	0	10	BJAE	
CCc1cc(N[C@H]2CCCC[C@H]2C)ccc1C	305983729	IGRJSUDKDIZECA-CJNGLKHVSA-N	231.383	4.548	0	10	BJAE	
CSc1sc2c(C)cccc2c1Cl	307005603	FMVMISGSPJGKQF-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)c1ccsc1C	308060131	ROYFXVVRVYMDKY-GXTWGEPZSA-N	239.428	4.519	0	10	BJAE	
CC(C)C(C(=O)CCCC(C)(C)C)C(C)C	309147372	LRZLHPBVXPUBGJ-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CCCC(CCC)C(=O)CC1(CC)CCC1	309435665	ZZPWJROZYYVINZ-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)CCC1CCCCC1	309990237	KXTNWEWEZYYEHP-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)CC1CCC1	309990843	OFCSXJRHAXSYIM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@H](O)c2cc3ccccc3s2)CCC1	310500717	JDYTZIPHKGFJQZ-LBPRGKRZSA-N	246.375	4.515	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](CCC(C)C)C1CC1	310668200	MMNCKBYGYDJLLH-MRXNPFEDSA-N	249.373	4.761	0	10	BJAE	
CNC[C@@]1(C[C@@H](C)C2CCCCC2)CC=CCC1	317870934	KZCYWQHMJBFHJP-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@]1(CNCCC)CC[C@@H](CC)C1	319279991	MLASFQKMLOEJHK-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1ccc(C(C)C)cc1	319483935	GJCQAFUROAVEDS-XEZPLFJOSA-N	234.383	4.526	0	10	BJAE	
CCCCC[C@H](O)c1ccc2ccccc2c1F	381516735	RFVITDATSQCJIF-HNNXBMFYSA-N	246.325	4.593	0	10	BJAE	
CCCC1CCC([C@@H](N)[C@@H](C)CC(C)C)CC1	383927516	SAUOKXQTZRALHP-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@H]2CCC[C@H](C)C2)C1	383978366	ZNPKOWROOURCHS-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)CC(C)(C)C)c(C)c1	384860760	HCZSSBZIZGOUNJ-LSDHHAIUSA-N	247.426	4.779	0	10	BJAE	
CCCN[C@H](CC)c1ccc(C2=CCCC2)cc1	384938058	BTPQPTIAKMECTN-QGZVFWFLSA-N	243.394	4.705	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1	385212652	ZHZVDVJXAYSZRL-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cccc2ccsc12	386247015	QJSBKGDPVSBZDP-GHMZBOCLSA-N	233.380	4.748	0	10	BJAE	
CC(C)(C)CCCNc1cccc(C(F)F)c1	386327056	OTBRGJMVMNBHTG-UHFFFAOYSA-N	241.325	4.862	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C2=CCCCCCC2)CC1	392928554	RWESORDIZWYMAI-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](C)CCNc1c(Cl)cccc1Cl	394420207	YAPAVFZFOKBUQV-SECBINFHSA-N	246.181	4.842	0	10	BJAE	
CCC(CC)[C@@H](C)NCC1(C)CCCCCC1	394601615	DEZTUCWNDCQOKB-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC1([C@H]2NC[C@H]2C2CCCCC2)CCCCCC1	394654029	AQPJGMTWEAMTOO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCc1cc2c(C(F)F)csc2cc1F	396202766	TUNREDVRVBVXNH-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CSc1sc2cccc(C(F)F)c2c1C	396412807	WTSFOJPJPLHLLI-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCN[C@H](CCC1CCC1)c1ccc(C)c(C)c1	398829058	XFGCBIWUNNXIJV-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC(C)Cc1ccc([C@H](N)[C@@H](C)C(C)(C)C)cc1	399213084	VTCJVVPRZJSAFR-CZUORRHYSA-N	247.426	4.567	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1)[C@@H](C)C(C)(C)C	399224160	ZVTIMNYCZWJALE-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
Cc1ccc(COc2ccc(Cl)cc2C)cc1	400986551	UOTAWNLGNYXKIQ-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1	403318067	HATAMRDVCANVEK-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc2oc(C(=O)CCCC3CC3)cc2c1	405724958	JJKCIMLNIDPJCH-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCC[C@H]1C1CC1	696050453	ORSALSHMTDHRGV-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CCC(C)(C)CC	696637108	XIVGOADHVLLFTP-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C[C@@H](C)CC	696643398	DPTFKXNTPKPHLJ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1ccccc1Cl	696652838	RQGSDDDGHQECDY-CYBMUJFWSA-N	239.790	4.556	0	10	BJAE	
C1CCCC(C2(CCC3CCCC3)CNC2)CC1	696820664	FURKLVKGQVENSG-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CC[C@H](CC)C1	697759590	OXTUYIPQJOMMOG-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
Clc1cccc2cc(CC3CC=CC3)oc12	700906054	UJFNOYAMKOHXOO-UHFFFAOYSA-N	232.710	4.595	0	10	BJAE	
CCCN[C@H]([C@@H](C)C1CCC1)C(C)(CC)CC	701251481	BGTMMLYXZNUDTQ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCCCCOc1cccc(Cl)c1C	702636191	DLMSPTAMDHXNEE-UHFFFAOYSA-N	226.747	4.608	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C1CCCCCC1	704823424	GKEYNDUYKWCWPU-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](Nc1csc(C)c1)C1CCCC1	710729059	GITMFBWCFGVLBZ-AWEZNQCLSA-N	237.412	4.827	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)C[C@@H](C)C(C)(C)C	711182525	JRCVZXHQIWESNT-QLKUMGTLSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@@H](C)C(C)(C)C)C1	711229491	VAKBYFDPMVWMDH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1C[C@@H]2CCCC[C@@H]21	712502999	NAEBNPXEDKMIOK-HUBLWGQQSA-N	249.785	4.639	0	10	BJAE	
CCCC1CCC(O)(CC(C)(C)C(C)C)CC1	713148260	ZEZWRNLTYFMVPT-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C(C)C)C(C)(C)C	713172043	BVXRMEZHHNFMKK-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1CCC[C@H]2CCCC[C@@H]21	714302525	FJDXBOVFSUPADP-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H](NC1CCC=CCC1)c1cccs1	718129200	PTWHFKJLGIMCKZ-HNNXBMFYSA-N	249.423	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C[C@H](C)CC(C)(C)C	718606638	SYNKMMWVPOOYRQ-ZFWWWQNUSA-N	240.431	4.946	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1ccc(C)cc1F	718636338	WQRQLKRRSCUMHS-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC[C@H]1CC[C@@](CCC(C)=C(C)C)(CNC)C1	718741535	ZJAGCZFCTNNYEL-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCCC(F)(F)C1	719151663	LRSGLUKJVVPAPL-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
OC[C@H](CCC1CCCC1)C1CCCCCC1	829252600	MMAZAISQZRDSDM-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
Cc1ccc(N(C)C[C@@H](C)CC(C)(C)C)cc1	1559516459	QZYKMQQPDPRIDV-AWEZNQCLSA-N	233.399	4.504	0	10	BJAE	
CC(C)N(CCCC1CCCCC1)C1CCC1	1652705839	FRYNRBUDBZIFSR-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCC[C@H](C)CC1	1658872506	WSSVIEUGJBJDOF-QSPRXWTASA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)CCC(CC)CC	1900704932	XWPHUYHJTDWVAF-HNNXBMFYSA-N	228.420	4.924	0	10	BJAE	
CC[C@@H](C)CC(=O)CC[C@@H]1CCC(C)(C)C1	1903417598	MELBFADCNUXWQS-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)CC(C)=CCCNC(C)C	1905366216	LJOPPLGDGOUQMS-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)c1cccs1	1905433515	HBHGHNQXLJTYET-OLZOCXBDSA-N	239.428	4.615	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(N)(CC(C)C)CC(C)C	1910822015	OPWDENLEYZZBCZ-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC1(N)CC2(CCCCC2)C1)C(C)(C)C	1912705057	XCAXRKMJNHTTDO-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc(C)c1Cl	1917353675	DKDVIETWVZIYPB-RWMBFGLXSA-N	249.785	4.557	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H](C)c1ccccc1	1919493126	OEMFTNOEUDWDQL-GDBMZVCRSA-N	234.383	4.512	0	10	BJAE	
CC(C)NCC1(C[C@@H]2C=CCCCC2)CCCC1	1925810566	VSXLXWSEMBJPDS-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@H](Cc2ccc3cnccc3c2)CCCC1	1925829322	FNBSQNOZMNUSNZ-AWEZNQCLSA-N	237.346	4.524	0	10	BJAE	
FC1(F)CCC[C@@H]1CC[C@@H]1C=CCCC1	1932599402	UFJYVGUGHSSNTO-VXGBXAGGSA-N	214.299	4.558	0	10	BJAE	
Cc1cc(C(=O)CCCCCC2CC2)cs1	1936420315	WPBQFKJVCDSGNW-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@H](CC(C)C)C(C)C	1941266409	FJCJNVXAFSMZCE-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
C[Si](C)(C)CCNc1cccc(C2CCC2)c1	1941333386	XHHGBQNMZDUWNL-UHFFFAOYSA-N	247.458	4.704	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CC(C)(C)CC[C@@H]1C	1941355015	IVKVRCYIVJGGFX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Oc1ccc(-c2ccccc2C2CC2)cc1Cl	1941554321	VOBKVFGWCAEGBR-UHFFFAOYSA-N	244.721	4.590	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]([C@@H](C)CCC(C)C)C1	1942660430	LWDMXQNFNWLTOK-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC[C@@H]1CCC	1947469677	RKBRICHTIWBDKQ-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)C[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	1947856926	IHVJPWVNPZWAEQ-ZSHCYNCHSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H]3CCC[C@H]32)c(C)cc1Cl	1948821690	WPROHANWDVAZKZ-LALPHHSUSA-N	249.785	4.557	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)CCC(C)(C)C	1948973052	PHTXRBSQTJYMTQ-BBRMVZONSA-N	237.431	4.667	0	10	BJAE	
CCC1(C[C@@]2(N)C[C@H](C)CC(C)(C)C2)CCC1	1948980765	BVEBXQXFSZUORX-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C1C[C@H](C)C[C@@H](C)C1	1949041561	NKUYRPPNJPEDDQ-XJKCOSOUSA-N	237.431	4.523	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCC[C@@H](C(C)C)C1	1949046894	JRVIAURVMORYPC-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](C)CC[C@H](CC1CCCC1)NCC	1949870863	RYOUWVJRNBAEDX-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CCC1(O)CC(C)(C)C1)C1CCCCC1	1949932317	ZTZPRXMQWQNTBR-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C1(CC)CCC1	1951234994	NNMIWVSMFHWFDK-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@H](C)C[C@H]1C	1969583493	VRCVAKGHBYXBEG-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC1(c2ccccc2NCC2CCCCC2)CC1	1973420791	KFYBRDDOFPTQHK-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
CCC[C@@H](NC1CC(C)(CC)C1)c1ccccc1	1973588815	CYVLKTYNMWBUON-AQFXKWCLSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H](CNc1ccc(C)c(Cl)c1)C(C)C	1988766923	HEDKJQOWDBCTFE-LBPRGKRZSA-N	239.790	4.743	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cc(C)ccc1C	1989818818	LVTMLDBQKXCYHC-ZDUSSCGKSA-N	219.372	4.540	0	10	BJAE	
Cc1cccc(C[C@H]2C=CCCCC2)c1Cl	1994174900	RQKHSNDKPDJLDL-ZDUSSCGKSA-N	234.770	4.937	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)[C@H](C)CCC	1995260378	VPICHRXLZLCFMK-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CC(C)Cc1csc(C2CCC(C)CC2)n1	1995444982	RIULMSVSLOQRPR-UHFFFAOYSA-N	237.412	4.635	0	10	BJAE	
CCC[C@](N)(C[C@H]1CC[C@@H](C)C1)C1CCCC1	1996249544	GLNQYKFFEJEDJO-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@H]1CCCC[C@@H]1C	1996552720	CRLGSIYDUGSLGC-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCSc1ccccc1NC[C@@H](C)C1CCC1	1996570168	LOCYEAXLRKDOTC-GFCCVEGCSA-N	249.423	4.647	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CC(C(C)(C)C)C1	1998234721	MCGGXVFAFMNEQZ-HLIUYOAVSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@](CC)(CNCCC)C[C@H]1C[C@@H]1C	2000499300	ITMWVRIKAZUTDC-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@@H]1CC12CCCCC2	2001254543	JYIAXVNAYKHBAO-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCCCCN[C@@H]1C[C@H]2CCCCCC[C@@H]21	2001502162	SJWBZIUNMUZTRM-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@@]1(N)CCCCC12CCCCC2	2001570506	XYGWZPMBIKVFLW-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@@H](O)C[C@@]1(C)CCCCC1(F)F	2002595007	WDWVZEAVLCILQH-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NC1CCC(C)(CC)CC1	2004340767	DFQGINBHWHLZPG-QVOMUQBLSA-N	239.447	4.760	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCCC12CC2)C(C)(C)C	2005564667	QHUOPRMRSHXEFZ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H]1CCC(C)(C)CC[C@@H]1CC(C)C	2009405443	ZASIPUAAFXSFSM-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC=CCCCCC[C@@H](NCCC)C(C)(C)C	2009616042	FPBNRLBDIORJNH-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@@H](CCC)C1=CC[C@H](C(C)C)CC1	2010719334	UIZJDKHAOHPLCB-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)c1ccsc1	2010724955	FKAJXDMEKMBMEB-IUODEOHRSA-N	249.423	4.535	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCC[C@H]1C[C@@H]1C)NC	2011581719	YVJHDYXUKKRPLT-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](CC)CCC(C)C	2013262922	DUIVOCIPNBDTHS-BZUAXINKSA-N	239.447	4.760	0	10	BJAE	
CC(C)C(CC[C@@H](O)CC1CCCC1)C(C)C	2015276883	BXNYGQKLOLQQEI-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CC(C(C)C)C(C)C	2015284522	OITSSQGSSOWUAE-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)[C@H](C)CC(C)C	2015290537	KZTLXWUYJIAZEZ-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C[C@H](C)C(C)C)CC1	2015335033	JKIMQEXKAOUGKJ-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1C[C@@H]1CC)NCCC	2016846240	BAZDKYGERNQHGH-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(C)C1(C[C@](C)(N)CC2CCCC2)CCC1	2017145108	YKGLROFCIMGJOD-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@](CNC)(CC(C)=C(C)C)C1	2017466914	QFRFVLVABWSBDX-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC1CCC(C[C@H](N)CCC2CCC2)CC1	2017724739	ZDSRZBUTJBOWMF-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](C)CCNC(C)C)CC1	2017736874	INZQYURBZFLQBZ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCCCCC2=O)CC1	2017775841	HPSIFZMFNQTFKO-KKUMJFAQSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCCN1[C@@H](C)C[C@H](C)C[C@H]1C	2019344424	MQHIKRUBJHCNCM-PHZGNYQRSA-N	239.447	4.712	0	10	BJAE	
CC[C@H](C)CC(=O)[C@H]1C[C@H]1C1CCCCCC1	2022416280	BAVLQHLOZAVDPP-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](N(C)CCCCCC(C)C)C1	2025600803	PPNBUPVGZWPCIM-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(CC)[C@H](O)CCC=Cc1ccccc1	2027026221	ASBWSJKKROGCGJ-MRXNPFEDSA-N	246.394	4.667	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](NC)c1ccccc1C(C)C	2027518335	QAVORKZAUNLKSE-JKIFEVAISA-N	245.410	4.507	0	10	BJAE	
CC1(CCCOc2ccc(C(C)(C)C)cc2)CC1	2027829365	AUNMFDPNSMXUPD-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
CC[C@@H](C)C[C@H]1Nc2cc(C(C)(C)C)ccc2O1	2027872039	WUISMWSZIOVVDL-ABAIWWIYSA-N	247.382	4.551	0	10	BJAE	
CCCc1ccccc1[C@H](N)CCC(C)(C)CC	2027902911	FTFGIRGYXXIRRM-MRXNPFEDSA-N	247.426	4.855	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)c1coc2ccccc12	2029838732	UBCAOSSCEPVYPU-LRDDRELGSA-N	245.366	4.505	0	10	BJAE	
CC1(C)CCC[C@@]1(CCC1CCC1)CNC1CC1	2032112824	UHHYXYHZPKDYAS-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@@]1(CCC2CCCC2)CC12CCC2	2032135287	MHOOHHNQVOUEEH-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CCN[C@H]1CCCC12CCCCC2)C1CC1	2032219943	MNSFCDZPOKJWSQ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNc1ccc(C2(C)CC2)cc1	2032508269	CDFXIEHRERVXAU-UONOGXRCSA-N	243.394	4.586	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)C[C@@H]2C=CCCC2)C(=O)C1	2035569105	ZZYHZVVKJBIKTK-KFWWJZLASA-N	248.410	4.764	0	10	BJAE	
CC(C)(CC[C@]1(N)CC[C@@H]2CCCC[C@H]21)C1CC1	2037167356	UNTQBTQTXOLVKC-YSVLISHTSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(CC[C@](C)(O)c2ccccc2)CC1	2038165655	MKUCQCARXTXXMO-DQPZFDDXSA-N	246.394	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)[C@H]1CC12CCCCC2	2039081057	GOQRPBHWDGIQDE-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C2CC3(C2)CC(C)(C)C3)C1	2039417057	BOABLBZWCZHATD-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H](C)C12CCC(CC1)C2	2039864885	KNWLWLFYVIAKTH-TXOGFHGLSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1(N)[C@H]2CCC[C@H]1CC2)C1CCCCC1	2042052052	PMOXBMQXHKGOHZ-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC(C[C@H](N)CC2=CCCCC2)C1	2042998225	NULHRHDCGGBKPQ-UYSNPLJNSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)C1CC(C[C@]2(N)CCCC3(CC3)C2)C1	2043005319	UOFWLRAPXSAKNX-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CN[C@H](C)c1ccccc1	2043065657	TWMYBYJWFZCYMT-HLLBOEOZSA-N	245.410	4.554	0	10	BJAE	
CN(CC1CCC=CCC1)[C@H]1CCCC(C)(C)C1	2045312863	RNTYKYLUZMQITD-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cccc2c1CCC2	2045607431	RAHZRCROBXSJGM-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)C[C@@H]1CCC12CCC2	2047930877	BMMKWGOWSMFQQG-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@H]2CCC[C@H](C)C2)c1C	2049538146	XBOKJOJJPPCDHF-APHBMKBZSA-N	245.410	4.930	0	10	BJAE	
C=CC=CCCC[C@H](NCC)c1cccc(C)c1	2050448846	FLTJTUNUNVZIDC-KRWDZBQOSA-N	243.394	4.558	0	10	BJAE	
C[C@H]1C[C@@H](N[C@@H]2CCCCC23CC3)CC(C)(C)C1	2053345614	KBXMSTADUPJQCO-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C1(C(C)C)CC1	2056881354	IDQLJQWLSIDRDV-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C1CC(C2CCC2)C1	2057485476	CETMSZZQNLBGRZ-OFLPRAFFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@@H]([C@H]2C=CCCCCC2)CC1	2058992762	VOOAMULCZGMCKA-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@H]2CCCC3(CC3)C2)CC1	2058993071	YLCLHCVCPFTEGW-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@H]1C[C@H]2C[C@H]2C1)NCCC	2059251251	YIZOIUYRTGEFAN-YSBOKNOISA-N	249.442	4.537	0	10	BJAE	
Cc1cc(NC2CCCCCCCC2)cnc1C	2061253843	DSILHYZVDNDWLM-UHFFFAOYSA-N	246.398	4.613	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC1(N)CC2(CCCCCC2)C1	2062642519	QGWOLUHMOHDZOV-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCc1cc(N[C@H](C)C2CC3(CC3)C2)ccc1C	2064497521	KRDFFCVRJWBCDI-CYBMUJFWSA-N	243.394	4.548	0	10	BJAE	
N[C@]1(CC23CCC(CC2)CC3)CCC=CCCC1	2065337439	ASDNAZWSBYPCAZ-OFLPRAFFSA-N	247.426	4.565	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2CC3CCC2CC3)CCCC1	2067523023	YENBMORUKIQXHV-OCUYMYNFSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2C=CCCC2)CCC1(C)C	2068232490	GMDUBPVTMUGCKU-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCC1(CC(=O)C[C@@H]2CCC[C@H]3C[C@H]23)CCC1	2069282078	GEMKIPGXGZOEEC-OFQRWUPVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@]23CCC[C@H]2C3)CC1	2070913392	VNAATJMNGUULCJ-GUYCJALGSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2CC[C@H]3C[C@H]32)cc1	2071223772	IMLHDYXOFZAIQH-NZUILWFCSA-N	244.378	4.625	0	10	BJAE	
CC(C)C1(CC2(CN)CCC3(CC3)CC2)CCC1	2071946799	ULJFXVQPGGSPAD-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CN[C@@H](C[C@H]1CC[C@H](C)CC1)[C@@]1(C)CC=CCC1	2072793509	KQKSTLMHDGGXIX-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@@]23CCCC[C@H]2C3)CCC1	2074021168	PEQLISYAZVGFJQ-LZWOXQAQSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@H]1CCC12CCC2	2074646255	KMPFGFPGNVNDSW-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@@H]1CCC[C@@H](C)CC1	2074794517	KSDBZNSCCKCQIB-HLLBOEOZSA-N	245.410	4.648	0	10	BJAE	
CCc1ccc(N(C)[C@@H]2CC[C@H](C)[C@H](C)C2)cc1	2074802753	SFFNZVPSWKVMBE-JJRVBVJISA-N	245.410	4.510	0	10	BJAE	
CCCCN(Cc1cc(C)cc(C)c1)[C@H](C)CC	2074923271	VWEZUOBFVRMDHM-MRXNPFEDSA-N	247.426	4.704	0	10	BJAE	
C1=C[C@H](N2CCCC3(CCCC3)CC2)CCCC1	2075409787	HVOXKTOLMFIKRH-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
C[C@@]1(CC[C@H]2C[C@@H]2C2CCCCCC2)CCCN1	2079692824	FQEQORYHRCXMOO-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC=C(C)C)c1cccc(C2CCC2)c1	2081777813	HHAWRBSKKLRIQK-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC(C)(C)c1ccccc1NCCC1(F)CCC1	2084758821	BUFPDXZBWNGQSA-UHFFFAOYSA-N	249.373	4.678	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CC[C@@H](C)C1	2212630884	HVFMCHILLCNQQN-MFKMUULPSA-N	237.774	4.503	0	10	BJAE	
CC1(CC[C@H](N)CCCCCCC2CC2)CC1	2213579301	DLJTVMBZAXMRPB-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
Cc1csc(C(=O)C[C@]23CCCC[C@@H]2C3)c1C	2213656242	GPHHCQIQQSRNFQ-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C1(CC)CCC1	2214571535	WOVLBPGRDPUXBJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](NC)C(CC)(CC)CC	2215256757	RXLAONGNXOIBFV-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CC[C@H]1C[C@H]1C)CC1CCCCC1	2215294814	SDJSWQWACYGOAK-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CC1=CCCCC1)c1cc(C)sc1C	2215426033	JOJZGNLMLDVFFI-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CC1(C[C@]2(N)CCC[C@@H](C(C)(C)C)C2)CCC1	2216257476	LQBWLHOOEUZWSV-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccc2c(c1)SCC2	2216719241	XUFFLWLYFQMPRA-NSHDSACASA-N	249.423	4.571	0	10	BJAE	
C[C@H]1[C@H](C)C[C@]1(N)CCCCCCCC1CC1	2216861365	UYNZWXOEGADLQC-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCCCCC(C)C)CNC1CCC1	2217156397	KSPUVZOWKNBPMM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccnc(C(C)C)c1	2220902275	PGFULBLALOEOAY-DZGCQCFKSA-N	246.398	4.586	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C1(C)CC2(CCC2)C1	2221000399	DKPWHSYKJIVAFK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(CN)CCCCC23CC3)C1	2221028501	QOZBXMGWLKRQMA-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H](N)CCCC[C@@H]1CCC[C@@H](C)C1	2242814570	AAZPQKVTYZOVDH-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1C=CCCCC1	2244787096	ZFKNGJFEQHPHBQ-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC[C@H]1CCC[C@H](C)C1)CNCC	2246671369	XITDAOFZSHWTEI-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC[C@@H]1CCCC12CC2	2247646282	WCYIVDIKNZMHQY-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCCC(O)(CCC)CC[C@@H]1CCCC12CC2	2247650480	KALRHPXPGVKTCH-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC(C)(C)C(F)(F)CC	2250357697	XHTUIKSXNDJAFT-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@@H](CC)CCC	2250361255	LBKGQLTUQJQGOZ-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC1=C[C@](O)(CC[C@@H](C)CCCC(C)C)CC1	2250497057	YLNPUFPVZRZHAO-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@]12CCC[C@@H]1CC2	2251225722	XFASEXQMMYZDMD-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CC1CC(CC[C@@H](N)CC2(C)CCCCC2)C1	2251759780	STOUUSCWHITEBB-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CNCCC1=CC[C@@H]1CCC[C@@H](C)C1	2253999287	WXOJKMNRYCMAFI-HLLBOEOZSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C(=O)CCCCC[C@@H]2C[C@H]2C)cc1	2254526957	CCYZYAJJNHCHPD-GDBMZVCRSA-N	244.378	4.784	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](C)[C@@H](O)c1ccccc1	2254590719	DLVQAQYDRVYHGD-TXCZRRACSA-N	246.394	4.573	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CCCC[C@H]2C[C@H]2C)c1	2254606456	FXALIPXGHKOBMA-VYDXJSESSA-N	245.410	4.520	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1CCC12CCC2	2254955058	REHJFMGOTHEFAD-CQSZACIVSA-N	243.394	4.802	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCC23CCC3)C1	2254963387	UJIUIYPKWYFVGQ-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](N)(CC2=CCCCC2)C1	2255091245	IGESRJOWLXYOQI-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(C)c(OCC[C@H]2CCCC23CC3)c1	2255303690	LRYWCWLVBMQLRJ-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN[C@H]1CCCC12CCC2	2257311641	NHJQZULIOVTZSP-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(CNc2cc(C3CC3)ccc2F)CC1	2259125075	PFDWTUOAGZCJHG-UHFFFAOYSA-N	247.357	4.551	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cc2cccc(C)c2o1	2259445903	XODHKFTXFJOVLY-DOMZBBRYSA-N	246.350	4.601	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@@]12CCCC[C@@H]1CC2	2298721592	ZNRDFADEDFXMBO-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](CC)(CNC)[C@H](C)CC1CCC1	2298867446	FQRIPSALTIAUAY-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC(C)=CC[C@@H](NC)C(C)(C)C1CCCC1	2300877668	SYQGRHACODMIRD-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@H](O)C1(C)CCC(C)(C)CC1	2300878789	BPDFOEGZKTYRFV-AWEZNQCLSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H]1CCC[C@H]1CC1CCCCCC1	2301148074	QGBYLBOHETXBFS-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)(C)C1)C(C)(C)CC	2302902604	RCYMPIAFERRFCE-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@](CO)(CC(C)(C)C(C)C)CC1	2303472564	SMLPAKFVKLMGIK-INIZCTEOSA-N	238.415	4.558	0	10	BJAE	
CC(C)NCC(C)(C)CC[C@H]1CCC(C)(C)C1	2304428064	JMJZTYYHKMJNCD-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C(=O)CC[C@@H]2CCC(C)(C)C2)C1	2304434431	DIGIQEJJCUAEOD-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCCc1ccccc1OC(C)(C)C	2307634888	RUEHZASMVCKFFX-UHFFFAOYSA-N	232.367	4.763	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](CCC)CCC1=O	2307801542	NSDWFHMMSCULNQ-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)C1(C)CC=CC1	2307816161	BGWCWOBSFDRHKX-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC[C@H](C2CC2)C1	2307822276	HQTIZPLXRGJHLT-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CC[C@H]1C(C)(C)C	2307904653	UEVZJQOCQCZUOZ-XQLPTFJDSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCC[C@H]1C)c1ccccc1	2308259158	AODMDPQVSAWZBI-VYDXJSESSA-N	245.410	4.554	0	10	BJAE	
C1CCCCC(N[C@H]2CC[C@H]3CC[C@@H]23)CCCC1	2308363345	CDWWYPJOECGRKA-OIISXLGYSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	2308399543	BPNNPFBXWCIGMY-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(N[C@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2310154932	QRIWYVPOTQOZOV-LQWAEYHHSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC[C@H]1C)[C@@]1(C)CC=C(C)CC1	2312521576	YNDDTZSPENQSHL-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@@]12CCCC[C@@H]1CC2	2313290069	SIPBPSJXKVOLSE-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1C[C@@]12CCC[C@@H]1CC2	2313333793	PUXLRSCXNOLAFC-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H](N)C(CC2CC2)CC2CC2)CCCC1	2313582528	ZZIHXQGIQWJKRY-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@H]1C[C@@H]1C1CCCCC1	2313601062	VVAHRVJEFQXVDI-WQVCFCJDSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(C(=O)[C@H]2CC[C@H](CC)C2)ccc1C	2314636437	NXENHQGNULKTHT-ZFWWWQNUSA-N	244.378	4.566	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@@H]1C1CC1	2315882794	IJZFPHQUNZPHPV-HZPDHXFCSA-N	243.394	4.719	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC1CC(=C2CCC2)C1	2315945191	APFCGMNQCZAZNN-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCC(CC)CC[C@@H](N)C[C@@H](C)c1ccccc1	2316236356	ULAXGBPKLNBGHF-RHSMWYFYSA-N	247.426	4.724	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@H]1C[C@H]2CCC[C@H](C2)C1	2316535035	FXFLFPQYNDKBAO-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@H]1CC2CCC1CC2	2316879658	GIWASNXIRNGVGA-GQGLESIBSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@@]2(C)C[C@H]12	2317931727	LEWIWQSFFVDIEO-FMKPAKJESA-N	247.357	4.550	0	10	BJAE	
Cc1ccc(NCCCC2=CCCCC2)cc1C	2318568470	KIPGFTQATGXCJB-UHFFFAOYSA-N	243.394	4.996	0	10	BJAE	
CCCC1CC([C@H](N)CCCC2=CCCCC2)C1	2318577924	ZZBXGXXXEJXXIF-OFLPRAFFSA-N	249.442	4.811	0	10	BJAE	
CC(C)C[C@H]1CC[C@@]1(N)CCCC1=CCCCC1	2318581189	UACHFOQAGQNMSQ-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CCNC[C@]1([C@H]2CC[C@H](C)C2)CCC(C)=C(C)C1	2320394052	LUGAKQYJWRJXDG-JQFCIGGWSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2320409995	ZZFMJJARQYGOBR-KLHDSHLOSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(CN)CCC23CCC3)C1	2321603801	VWZMSTUFILRYCG-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C(C)C)C1CCC1	2327676825	BLBCTPHRXXOIKT-KRWDZBQOSA-N	245.410	4.569	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@]2(O)CCC[C@@H](C)C2)c1	2327707569	IGMCSOSUSJRPRK-RHSMWYFYSA-N	246.394	4.516	0	10	BJAE	
C[C@H](C=C1C[C@H]2CC[C@H]1C[C@]2(C)N)CC(C)(C)C	2327763024	XSEPBOHKFDARBC-CXUGXGMPSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(Cl)cc1	21810071	CITHGNWPRPEPNQ-AAEUAGOBSA-N	239.790	4.967	0	10	BJAE	
CCCCC[C@H](NCC(C)C)c1ccccc1	37186755	CMVLKPIZTANCDR-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCCC[C@@H]1C(C)(C)C	37271871	IRYFWHJQRQSFMZ-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@]1(N)C1CCCCC1	37376989	RDJOUYWLCDBICO-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCC[C@H](C)CC2)C1	86883836	MHZJRLLZCQFHPX-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)CNCC1(CC(C)C)CCCC1	94874580	HRALODYOMWFIEC-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CCCC[C@H]1C(C)(C)C	103949585	VVEXWHVHFIXJRN-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@](CC)(CNCC)c1ccccc1	103996533	DMCGUAYADVLFME-QGZVFWFLSA-N	247.426	4.524	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCC)c1ccccc1	109724444	GGILBFRCAVQIDH-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
CCC(CC)[C@@H](O)c1ccc([C@@H](C)CC)cc1	109785437	OISQQFPRIXZANZ-BLLLJJGKSA-N	234.383	4.670	0	10	BJAE	
CCC[C@@H](C)CNc1cccc(OCC(C)C)c1	109905470	RBQDLYXVVQJHDL-CQSZACIVSA-N	249.398	4.570	0	10	BJAE	
CCCC[C@@H](C)NC1CCC(C(C)(C)C)CC1	109946716	SSFVGCHOTQLVJR-WLYUNCDWSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](c1ccccc1)C(C)C	111665421	HDSDLPZMRJUPIM-RHSMWYFYSA-N	247.426	4.798	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](C)c1cc(C)ccc1C	111666358	ABZPSHOIVQBUBL-CABCVRRESA-N	247.426	4.779	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCCC)C(C)(C)C	126948679	XLAZKKVIMSOILF-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCNc1snc2ccccc12	134320574	PWTORLRDVGRFNT-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
C1CCC(C[C@H]2CCCC[C@H]2CNC2CC2)CC1	155654503	QIRBCSWHVHHGMM-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)c1ccccc1CC	162385296	BCCHDKQDUOURDR-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)CC1CCCC1	162711361	PKWNHFHZJKYXTB-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)c1ccc(C)cc1C	167285090	XQAXMKPQNRSMFQ-CXAGYDPISA-N	247.426	4.780	0	10	BJAE	
CCN[C@@H](CC(C)C)C1(CC(C)C)CCCC1	168003481	WDEUECJGDCHDTE-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1[C@@H](N)C1=CCCCCC1	213320325	RKBFHODDPBCNHB-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1CCC[C@@H](C)C1	218004943	QXSVLTVKVQXRSE-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](N[C@H]1CC[C@@H](C)[C@@H]1C)c1ccccc1	225067821	UIKQWHSGHVLMLP-OHFALNGGSA-N	245.410	4.552	0	10	BJAE	
CCCN[C@H](C(CC)CC)C1(CC)CCCC1	228693777	NXRKSPRPIKZUFB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C2(C)CCCCC2)cc1	232772739	UGTMSSJMQAMKNL-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@H](CC)c1ccccc1	300473319	ZJQKSAKRDABKLP-USXIJHARSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)C1=CCCCC1	302273251	APQYJSGVQPDKKZ-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CCCC(C)(C)C	302281302	JEJICGROITUASH-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)NC[C@@](C)(CCCC(C)(C)C)C(C)C	302343533	VJSJVLKHRRTHNE-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@@H](C)[C@H]1CCCc2ccccc2C1=O	302552811	KHVQTSJPVWUHBJ-UKRRQHHQSA-N	244.378	4.504	0	10	BJAE	
CC(C)CC[C@](C)(O)c1cccc2ccsc12	302564427	ZHNYHOWWRDUSIP-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCOc1cc(Cl)cc2cc(Cl)sc12	306571644	GDCSPSAPNMAUHU-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCC1CCC([C@H](O)[C@@H](CC)CC(C)C)CC1	308010124	ABZJPORCJMNDIY-BHDPWAOGSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C1(CCC)CC1	310284532	LTPMJHMIIJYFML-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)C[C@H](C)C1CCCCC1	310556772	IMSZKQYFHYVABJ-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C)C[C@]1(O)CCCC12CCCCC2	313042891	MFPSBXSYKHWANW-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC[C@]1(CNC(C)(C)C)CCC[C@@H]1C	318252477	MSFCGZRBTMXMRQ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@]1(CNCCC)CC[C@H](CC)C1	319280000	MLASFQKMLOEJHK-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](Nc1cc(C)cc(C)c1)C1CCC1	322525162	KNSAJEXOOVCWOQ-MRXNPFEDSA-N	231.383	4.684	0	10	BJAE	
CC(C)(C)[C@@H](N[C@H]1CCC12CCCCC2)C1CC1	324467535	ZEWMERMJUSRLEL-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](CC)(CO)CC1(C)CCCC1	380739817	RQWSDJYAXNNMCJ-OAHLLOKOSA-N	226.404	4.536	0	10	BJAE	
Cc1ccc([C@@H](C)NCCC2(C)CCCC2)cc1	381355181	NINBFQLAJZOOCK-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
Clc1cccc2ccn([C@H]3C[C@H]4CC[C@H]3C4)c12	383126085	HFTKCNBYZVWESO-JKOKRWQUSA-N	245.753	4.656	0	10	BJAE	
CCC[C@H](C)[C@H](CCCCCC(C)C)NC	383211978	CIXMXYWCEZQPBU-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCCCCC(C)C)C1	383527756	MEHHFWITXDERSG-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CSc1ccc(N[C@H](C)CC(C)(C)C)cc1	384633604	ROWWBLFIJQEDIB-LLVKDONJSA-N	237.412	4.645	0	10	BJAE	
CCCC[C@@H](CC)CNC1(CC)CCCCC1	389746483	LUKHHQHHKWBBOA-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC1CCCCC1	390813967	FNJJCWSZWOQBOL-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)(CC)NCC1(C)CCCCC1	394576082	VFJYVFFKRSCKED-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@H](C[C@@H](C)c1ccccc1)NC	395052909	QUDOCTRWKFMDKC-NVXWUHKLSA-N	247.426	4.739	0	10	BJAE	
CCC[C@](O)([C@@H]1CCC[C@@H](CC)C1)C(C)(C)C	395424747	NKWPADSAUYHDHG-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CCOc1cc2ccsc2c(C(F)F)c1C	396236650	HVKQNOKJXLSUJO-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
Cc1cc(OC(C)C)ccc1N[C@H](C)C(C)(C)C	687710932	LMCDOLQJWORFEX-CYBMUJFWSA-N	249.398	4.629	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)c1cccc(C(C)C)c1	688950668	MOJUMSUQVLJNPC-YOEHRIQHSA-N	247.426	4.882	0	10	BJAE	
CC[C@H](Nc1ccc(C2CC2)cc1)[C@H]1CC1(C)C	690135335	MNESZKKYSXZOIE-CVEARBPZSA-N	243.394	4.801	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1ccc(C)cc1F	691132173	BDPNOHMRAKIFNP-ZFWWWQNUSA-N	249.373	4.905	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C1CC2(CCC2)C1	691919426	LCVOSGFLNZSFNC-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)c1ccc(C)c(C)c1	696595978	XGXFUJLVVLBECI-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H]1CC[C@H](NC)[C@H](CCC(C)(C)CC)C1	696798287	AOOCGEPIZNCACU-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](CNC)C1CCCCCC1	696847912	BNWXCADYYVELFA-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccccc1C(C)(C)C	701114298	YWZALTXQCLUBKA-OAHLLOKOSA-N	248.410	4.844	0	10	BJAE	
CCCNC[C@]1(CCCCCC(C)C)C[C@@H]1C	703331094	LOCYRBNEIJLWDJ-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@@]1(C)C[C@@H]1C	707772148	WDEIKRGONZPODR-XKQJLSEDSA-N	245.410	4.507	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@@H](C)CC(C)(C)C	708286793	LVXDCPLXJFADFH-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(CN)CCCC[C@H]1C	709077198	IRPNLUMTZLTXTR-IIAWOOMASA-N	239.447	4.604	0	10	BJAE	
CCc1cc(Cl)cc(OC2CCCCC2)c1	709892117	HYABJSFUFMFDBB-UHFFFAOYSA-N	238.758	4.614	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)C1CC(C)(C)CC(C)(C)C1	711146703	CEVYARZHWMAOTN-TZMCWYRMSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)CNc1c(F)cccc1Cl	713128922	IKTYSVNKHWRFOC-UHFFFAOYSA-N	243.753	4.573	0	10	BJAE	
CN[C@@H](CC(C)(C)C(C)C)c1ccc(C)cc1C	713238534	BOVIYUHXYMAINF-INIZCTEOSA-N	247.426	4.636	0	10	BJAE	
C=C/C=C/CC[C@H](N)c1cccc(C(C)(C)C)c1	713712516	VLLOJECPKDNZLM-MOEXGYKKSA-N	243.394	4.506	0	10	BJAE	
C=C/C=C/CCCc1ccc(Cl)c(F)c1	713746766	UMAABMIMXIHCPH-ONEGZZNKSA-N	224.706	4.544	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)C1(CC)CCCC1	713759749	FGWRBTMHCRIATI-WAVCKPEOSA-N	249.442	4.847	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)c2ccc(C3CC3)s2)C1	716559037	BJBLEZROQAGJHS-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H]1C[C@@H]1C1CC1	718561388	VZRCTRJWCROECC-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)CCC=CCCC1	719019292	LESNTESVIWMZSG-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CC12CCCC2	720989662	LXBFZUSBZDPXJR-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
Clc1ccccc1Nc1cc2ccccc2[nH]1	757135742	ILTMTGSGFLNDLV-UHFFFAOYSA-N	242.709	4.565	0	10	BJAE	
Cc1cc(C)c([C@H](C)SC2CCC2)c(C)c1	1166211719	IFYTXBXBNKPLHM-ZDUSSCGKSA-N	234.408	4.959	0	10	BJAE	
CC1=CC[C@H](N[C@H]2CCCC23CCCCC3)CC1	1206636847	UCCDEXOXINMYJX-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
Cc1cc(-c2ccnc3ccccc23)c(C)s1	1240430350	PVLWCRITVLYALQ-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CC(C)(C)[C@@H]1CCCN(CCC2=CCCCC2)C1	1460018697	FWIFQCCGEZJBCL-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
BrC=C[C@@H]1C[C@H]1C1CCCCCC1	1877795681	QGCBRBUUQVLQGE-NEPJUHHUSA-N	243.188	4.502	0	10	BJAE	
CC(=CCCNC(C)C)C[C@@H]1CCC[C@H](C)C1	1879519869	KRSZADLAZYHWQO-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCCCCc1cccc(Cl)c1F	1889493702	IPHVRFGJQYHRCD-UHFFFAOYSA-N	214.711	4.602	0	10	BJAE	
CCC(CC)CCOc1c(C)cccc1C	1900699454	ZYLJAASQCMZBAW-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
CCC[C@@H](Nc1cscc1CC)C1CCC1	1902377807	YKSXKNABEDGXIF-CYBMUJFWSA-N	237.412	4.691	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)[C@@H](C)CC(C)C	1905385120	ZOWFFHIJKJMLHB-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(C)(C)CC1=O	1905448370	YLKNXLSXDQLSLH-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(Cl)cc2c(C(C)C)coc12	1907243957	HZCSKHIKFCQZPR-UHFFFAOYSA-N	208.688	4.518	0	10	BJAE	
CCCCC[C@@](C)(O)CCC=Cc1ccccc1	1911947956	NYOXHAPEUSWPKG-QGZVFWFLSA-N	246.394	4.811	0	10	BJAE	
C(=Cc1ccccc1)CC[C@H]1Cc2ccccc2N1	1912009642	HGZWLNWWBCRTQC-KRWDZBQOSA-N	249.357	4.517	0	10	BJAE	
CCNC[C@]1(CC2(C)CCC2)CCCC12CCC2	1921633097	MKMSWXRFQQBLFB-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc([C@H](N)[C@@H](C)C2CCCCC2)cc1C	1924135869	OHQYNZUQKJNPQU-WMLDXEAASA-N	245.410	4.520	0	10	BJAE	
CCCN[C@H](CCC1CCC1)CC(CC)CC	1926153941	XELOIPLLOWWOJW-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
FC(F)=CC(c1ccccc1)c1ccccc1	1927578640	JUHTZYYMIHOHAX-UHFFFAOYSA-N	230.257	4.599	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1cc(Cl)cs1	1928725434	WPDLCTBHHPVYFW-CABZTGNLSA-N	246.803	4.507	0	10	BJAE	
CC(C)=C(C)CCc1cc(C)cc(Cl)c1	1935044870	UDYFUCGYZGDGCM-UHFFFAOYSA-N	222.759	4.937	0	10	BJAE	
CCCCCC[C@@H](O)CCC[C@H]1CC1(C)C	1935926409	ZAOMZWPHQGVBFW-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C(=O)c1c(C)sc(C)c1C)C(C)C	1936211333	SRFNKNUOHSGXCW-GFCCVEGCSA-N	238.396	4.538	0	10	BJAE	
Cc1ccc(O[C@@H](C)CCC(C)C)c(Cl)c1	1937174171	NLPNJQRYNCHJGW-LBPRGKRZSA-N	240.774	4.852	0	10	BJAE	
CCCC[C@@H](CC)CC1(CO)C(C)(C)C1(C)C	1940293046	CWGVQHORAUQBQJ-CYBMUJFWSA-N	240.431	4.638	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CC2(C)CCCCC2)C1	1940402054	WZDKCXRNMKEFMH-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC(C)CNCC[C@H](C)CC1(C)CCCCC1	1940407791	JOFBCHJHTBTJCP-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCC[C@@H]1CC1(C)C	1940848801	PJEXSBARURSIBQ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(NCCC[C@@H]2CC2(C)C)c1C	1940871991	ISSKRCZHZFUMTG-CQSZACIVSA-N	231.383	4.542	0	10	BJAE	
CC(C)CC(O)(CCCC1(C)CC1)CC(C)C	1940873372	CAWOEUROMBOACI-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@](C)(O)C1CCCCC1	1940873565	RIJYYFQTACNEAV-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C1(C)CC(C)C1	1941983169	CWJVHFRYIZHUHL-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC1(CNC(C)(C)C)CC(C)(C)C1	1941987074	HNZPHRFIMXPRPO-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@]1(CNC(C)(C)C)CCCC1(C)C	1944476494	YDWFJMYJTIMYST-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NC(C)(C)C1CCCCC1	1945382530	PCKFHBALBCYPJT-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC1([C@H](O)c2cccc3sccc23)CCCC1	1945956911	GOLNUMWXJWUNQI-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CCC(F)(F)CNC1CCCCCCCCC1	1947880940	JBGZCSDZRALGGO-UHFFFAOYSA-N	247.373	4.514	0	10	BJAE	
CCC1(C)CC([C@H](O)C[C@H](C)CC(C)(C)C)C1	1948412633	GOLHPVAYSJNWIM-PGOFDVKTSA-N	240.431	4.636	0	10	BJAE	
C=CC=CCC[C@H](N)c1ccc(C(C)(C)C)s1	1949007516	GZGOQXMCQOAHJM-LBPRGKRZSA-N	249.423	4.568	0	10	BJAE	
CSc1cccc([C@@H](N)CCC(C)=C(C)C)c1	1949044820	AUPPXLAGENQGPI-HNNXBMFYSA-N	249.423	4.545	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)CC2CCCC2)C1	1949871903	VGJIKUBLKMXYQJ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC[C@H](O)CC1CCCCC1	1949913229	QVAAQZGNRVAFKG-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(NC2CC(CC)(CC)C2)CC1	1963214862	ZZSXRSMIIZJGBB-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)C1	1966072320	MEEBTKSWBYMCQR-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N[C@H]2CCCCC23CCC3)C1	1967791027	DLTIBQUZVLEHHM-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(F)c1NCC1C[C@H](C)C[C@@H](C)C1	1969469204	XRVMGKDVLDUPHF-VXGBXAGGSA-N	249.373	4.618	0	10	BJAE	
CC1(C)CCC[C@H](NC2CC3(C2)CC(C)(C)C3)C1	1969844370	PTQHSRBKGNXGRF-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCC1(NCC2CC3(C2)CC(C)(C)C3)CCCC1	1970114721	QNJDOYSMQUIEAZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H](C)CCC2CC2)c1	1975842308	LURUWLUWILGUOW-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CC(C)(C)CCC(=O)c1cc(C(F)F)cs1	1977100088	UXZHIAJOLMPAHA-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CCC(C)(C)CCC1(CO)CCCCCC1	1978730426	AQLVAMGJOXZKPC-UHFFFAOYSA-N	226.404	4.536	0	10	BJAE	
CCCc1nc([C@@H]2CCCC(C)(C)C2)cs1	1980285467	HESFJGLZCFLRLE-LLVKDONJSA-N	237.412	4.779	0	10	BJAE	
CC=CCCCC(CC)(CC)CNC(C)C	1984633147	TVYCXQAKYILUEB-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCCCCC1CC(O)(CCCC(C)C)C1	1984693180	YKUNYHMHVWBYDY-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](CC)CCC(C)C	1986946566	BSZTXSSXXCKSMY-RRFJBIMHSA-N	227.436	4.616	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](CC)CCC(C)C	1986948763	RHYJCWOCSFFMSH-HUUCEWRRSA-N	227.436	4.760	0	10	BJAE	
CC(C)C(=O)CCCCC(C(C)C)C(C)C	1988298197	WQFDQJRAOATFKO-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CC(C)CCCCCC(=O)C(C)(C)CCF	1989220823	VFVXPAZXXUHVNG-UHFFFAOYSA-N	230.367	4.548	0	10	BJAE	
CCCC[C@@](C)(N)CC1CCC(CC)CC1	1989815408	ZRPGPJQGKWMQPP-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](O)CC[C@H](C)CCCC	1995258441	DOBHZBPPFVABTL-WYVSAIIBSA-N	226.404	4.700	0	10	BJAE	
CCC/C=C/CN[C@@H]1CCCC[C@@H]1C(C)(C)C	1995868301	XLYHASAKYSJSAY-PAVULQLHSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](N)(C[C@H](C)CC(C)C)C1CCCCC1	1996593809	ICXNVRAYMHCSDX-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)C1CCC(C)CC1	1996595402	VNNSBMNBRRGLIY-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1(N)CC(C)(C)C(C)(C)C1)C(C)(C)C	1997768448	OSTVCHWMGWMOAP-GFCCVEGCSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@H]1C=CCCC1	1998384645	JJSFOTYYZUMMMS-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1(C(C)C)CCC1	2000195215	ORVRLNIJNMEMCT-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCCC(C)C)CCC(C)(C)C1CC1	2000257984	YTWZXPHAJBHNPX-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CCC[C@H]1CC1(C)C)CNC	2000513839	LPLMYMYZOZECHP-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1CCC12CCC2	2001852700	XBXLQTLODQASCW-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)[C@@H]1CCCC(C)(C)C1	2002974742	SPRHGMFHZBMXJQ-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC1(N)CCCCCCCC1	2003097619	HFCFUKYKWMJCTG-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](C1CCC1)C1(C)CCCCCCC1	2004922124	DJXQDYMLMQPOLL-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(CO)CCC1CCCC1	2005587156	UIIJMPTYWXPVMI-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCC1(CC)CC(NCCCC2CCCC2)C1	2009297457	TYMWJUMCFQMGHY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@H]1CCC[C@H]1CNC(C)(C)C	2009617248	QMCNLVXFZFYCOA-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C(=O)CC1=CC[C@H](C(C)(C)C)CC1	2010784380	NUVWMKXZZHGBHN-ZDUSSCGKSA-N	236.399	4.764	0	10	BJAE	
CC[C@H](CC(=O)CCC[C@H]1C[C@H]1C)C(C)(C)C	2011567896	ZMWPFVKTLJIDLH-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(N)[C@@H]1CCC1(C)C	2014879691	FVHVFMNETATYFD-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(O)[C@H]1CCC1(C)C	2014895527	GKUQHEACLWWGIE-WWGRRREGSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C[C@@H](N)C(C(C)C)C(C)C)C(C)C	2015292289	YCFOUQIBQVEXBJ-OAHLLOKOSA-N	241.463	4.560	0	10	BJAE	
CCCCC[C@@H](C)NCC1(CC2CC2)CCC1	2015743800	OPISAAKPMSIOEI-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@H](NCC)C1(CC(C)C)CC1	2015755400	QZJJIWHCOZSRSX-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@@H](C)C[C@@H]1C	2016149863	NSNUKIQHDKBKRE-FXUDXRNXSA-N	237.431	4.536	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H]1C[C@H]2CC[C@H]1C2	2018130700	PPVURHUPEXQAFY-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H]1CCC2(CC2)C1	2018135530	ZTNPKEZTPVJTQK-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@]12CCCC[C@H]1C2	2018571141	CDFUZSHWZRVMSG-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)C[C@H]1CC[C@H](CC)CC1	2019387493	WDQVKNDZFMEHPK-FZKCQIBNSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)C[C@H]1CC[C@H](C)CC1	2019450149	HWDAEYXQAPPKOY-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CCC1=CCCCC1	2019770894	VRFQFBQIQBAGIY-INIZCTEOSA-N	236.399	4.764	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H]1CCCC[C@@H]1CC	2022556430	GDKVQLPXPISDLM-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCC(=CC1CC(C)(C)CC(C)(C)C1)[C@H](C)N	2024091154	FWVGGGLDPIBUGL-LBPRGKRZSA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C[C@@H]2CCCC(C)(C)C2)C1	2024100373	BZLAGOSOWZWZFA-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](O)CCC2CCC2)C1	2024115546	FPTMAMKJJFWYMW-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1CC(C)(C)C1(C)C	2025054067	KONYGQACDCUHPS-ZIAGYGMSSA-N	237.431	4.536	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1ccc(C)cc1	2026168391	ZTBBNRNVMYMOFZ-XJKSGUPXSA-N	233.399	4.601	0	10	BJAE	
CC[C@H](C)Cc1coc2c(C)cc(F)c(F)c12	2026533311	KFKBWHXCASWONE-QMMMGPOBSA-N	238.277	4.608	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C1CCC2(CC1)CC2	2027854871	JDXZMDLCKXKQDQ-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccccc1[C@@H](NC)[C@H](CC)C(C)C	2028250928	BNGOZZDNHYOUQI-WBVHZDCISA-N	247.426	4.582	0	10	BJAE	
CCN[C@H](CCC(C)C)c1cccc(C2CC2)c1	2028548147	ASIFURCMHODHHA-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc(CCC(=O)[C@@H](C)CCC(C)C)cc1	2029839043	WRHLNSMBBDMDIM-HNNXBMFYSA-N	246.394	4.569	0	10	BJAE	
C[C@H]1CC([C@H](N)CCC2=CCCCC2)C[C@H](C)C1	2030230367	LUHURFNNZTYQHC-CKEIUWERSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C[C@@H](C)C1CC1	2032165702	LVCVUGWDJNBNJG-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H]1CCC[C@@H](CC)C1	2033810251	HHDMGIJWEMGRSH-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC1(C2CCCC2)CC1	2035421141	GDCCKGNKWYDRMQ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]3CCCC[C@@]3(C)C2)CCCC1	2036668501	VHCNUIOAUCUILL-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1ccc(CC(C)C)cc1	2037093440	FBONPERYMLQWJB-YOEHRIQHSA-N	247.426	4.711	0	10	BJAE	
CC(C)=C(C)CCC1(N)CCC2(CCCC2)CC1	2037172183	SAWJHKROSVBIHJ-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CC[C@]1([C@H]2CCC3(CCCC3)C2)CCCCCN1	2037588903	DZMIJGJHXNFWOX-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
O=C(C[C@H]1CCC2(CCCC2)C1)c1ccccc1	2037678558	LLGGWDCWCKRXNR-CQSZACIVSA-N	242.362	4.620	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)CC1CC2(CCC2)C1	2038087531	JANDSWUERTXCKL-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC2(CC1)CC(NCC1CCCC1)C2	2038932174	AKSGFKNSSFVBHO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1CCC2(CC2)C1	2045307531	LLZXXWZQRRJXLY-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CC(C)NCC1([C@@H]2CCCC(C)(C)C2)CC=CC1	2045503617	DVOBMQSFLURVDD-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]([C@@H]1C=CCCC1)[C@H]1CCCC(C)(C)C1	2045515948	GPYAJSCMZKMDJD-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@H]1CC12CCCCC2	2047006799	DJJXSAQTBADXRX-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@@H]1CC12CCCC2	2047062317	MQRUNNIVPOEIJI-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@H]1CCC12CCC2	2047942576	LIHYTEBGZKDCIW-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NCCC1=CCCC1)[C@@H]1CCCC(C)(C)C1	2049530820	YXMATVOJDNHXGX-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
COc1ccccc1NC1CCCCCCCC1	2049673972	ZTKHEKIRPYVRHT-UHFFFAOYSA-N	247.382	4.610	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CC2CCC3(CC2)CC3)C1	2049857879	QHJBFEYBZXTBJS-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]3CC[C@@H]32)CCCCCCC1	2052504181	DHLHQPMBZGIYIC-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)=CC[C@]1(CNC(C)C)CCCCC12CC2	2053359026	RNMXOYUSEDSBRM-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C(CCC1CC1)CNC[C@H]1CCCCC12CCC2	2053434741	WFOGBUDZYYPQDG-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@H]1C1(CNC2CCC2)CCCCC1	2055286393	PIRSQMQQVVIYEW-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)C1(CNC2CC2)CCC2(CC2)CC1	2056524795	ZUGULLJLSJJPEC-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C=C1CCCC1)[C@]1(C)CC[C@H](C)C1(C)C	2056885239	ZPEVBQKSYKQLAW-LXZKKBNFSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@]1(CNCCC)C[C@H]2CC[C@H]1C2	2059250795	UEGIPPBISIRVID-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCCC1CC(NC2CC(C3CCCCC3)C2)C1	2059392886	XYQHZMXPEAVQSK-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)C1CCCC1	2061089036	QJGNRYMJVJVYBU-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CC23CCC(CC2)C3)CC1	2065337653	BQSSCWJXHPZKLA-VXLLPVPCSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](CCC(C)C)NCc1ccc(C)c(C)c1	2065987817	NLYYENCNMXNJBE-KRWDZBQOSA-N	247.426	4.608	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)C2(C)CCCC2)n1	2067546648	XDQKPABVCJEMPB-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
CCc1cc(N[C@@H](C)[C@H]2CCC2(C)C)ccc1C	2068290758	ZFPJHMWGINBNKG-XJKSGUPXSA-N	245.410	4.794	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C1(CC2CC2)CCC1	2069521763	PIZFRIJAWWTGTQ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(OCC2(C(C)(C)C)CCC2)c1	2071917404	KMWXIRKFLHMUEQ-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@@]23CCCC[C@@H]2C3)CC1	2074030352	SQPORCTZGPEWDP-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC[C@]12CCCC[C@H]1C2)C1CCCCCC1	2074044420	YTXQGFGIFLCVAZ-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H]2Nc3ccccc3C[C@H]2C)CC1	2074635769	GLHJXEITRMTTTD-CZUORRHYSA-N	243.394	4.630	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H]1CC2CCC1CC2	2077188886	BPGIAZDCXSTBKC-OKEQZYBDSA-N	249.442	4.537	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H]1C[C@H]1C1CCCCC1	2079426370	AMMVAQVPKKBADO-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNC1CCC2(CCCC2)CC1	2079451965	UNXKDXRECXJARE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H]1[C@H]2CCCC[C@H]21	2081774223	GORAUSMRIDRYKB-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@]12CCCC[C@H]1C2	2081786579	RVJURSAFFQFIOF-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CCCCN)CC1CC2(C1)CC1(CCC1)C2	2083607558	GZRCYGROSPDVHA-CQSZACIVSA-N	249.442	4.502	0	10	BJAE	
CCc1cc(N[C@H]2CC[C@H](C(C)C)C2)ccc1C	2085240596	ZPMTYTQPEOICQO-RDJZCZTQSA-N	245.410	4.794	0	10	BJAE	
CCC(C)(C)C(=O)CCCCCCC1CC1	2210527516	SEBDPYPDSOQPGE-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC[C@H](C)NC[C@H](CC)CCCC(C)(C)C	2212583500	GQOQAFBSHBLNAJ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(Cl)cc1CC	2212646039	ZSWLEQSERPNYII-LLVKDONJSA-N	239.790	4.893	0	10	BJAE	
CC=CCCCC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2213284524	IVFVEOWQHLZWEJ-QDMKHBRRSA-N	234.383	4.518	0	10	BJAE	
CC1(C)C[C@H]1[C@](C)(N)CCCCCCC1CC1	2213574811	YOEAPFJKEZPBFT-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
C[C@](O)(CCCCCCC1CC1)CCC1CC1	2213580655	NHYBMNRPBPNGDW-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)c2c(C)csc2C)CC1	2215817329	RCNFHJOYGVOPAM-HUUCEWRRSA-N	249.423	4.501	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H](C)C2CCC2)CC1	2215821809	RIQDWGIQMXLABH-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](CC)NC[C@]1(C)CC=C(C)CC1	2215823318	HOGLSNKWSNFAHE-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCC[C@H](C(C)(C)C)C1	2216253675	TVZFKAZBWMQWBW-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC(C)(C)CC)C(C)C	2217127011	GKSPOYDDPROKBS-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218333469	PERYHTYDYOBHLN-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(NC2CC(CC3CC3)C2)CCC1	2218461677	KTWYSGZXPXUGGH-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CC[C@H]2C[C@@H]2C1	2218728820	WGXUQSJCAZCLNG-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C2(C)CC3(CCC3)C2)C1	2221004790	XQVZYAQNNGWBSA-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CC(C)(C)C1)C1(C)CC=CC1	2221037367	DAYRVONDUAURDN-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC1(CC(=O)C2C(C)(C)C2(C)C)CC2(CCC2)C1	2221088078	KHHFNIAMRVEFDD-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](CC)Oc1cc(C)cc(C=O)c1	2221588339	LDCKNHFASPUUEN-HNNXBMFYSA-N	248.366	4.545	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](O)[C@@]2(C)CC=C(C)CC2)CC1	2221614756	WNBRRPYICOXRTR-OIISXLGYSA-N	248.410	4.620	0	10	BJAE	
CCN[C@H]([C@@H]1CC[C@H](C)C1)[C@@]1(C)CC=C(C)CC1	2221633413	UMLIKOLHXSSFNW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(CNC2CCC2)C=CCC1	2223604098	IFQBKLCUESTVCI-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1ccc(C2CCC2)cc1	2223682159	XOXQMJUTJIKQIL-QWHCGFSZSA-N	244.378	4.819	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)c1ccc2occc2c1	2224162871	PXHHZNKTNGADPD-BLLLJJGKSA-N	245.366	4.505	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1cccc2ccoc12	2224192889	VCHJUPKHYACXNA-LBPRGKRZSA-N	244.334	4.688	0	10	BJAE	
Cc1cscc1NCCCCC[C@@H]1C[C@@H]1C	2243922308	PCQGKKHVUWIWBQ-WCQYABFASA-N	237.412	4.685	0	10	BJAE	
CC[C@H](CN)CCC[C@@H](C)CCCC(C)C	2244841183	DDEXUQDFKPFUTA-GJZGRUSLSA-N	227.436	4.604	0	10	BJAE	
CCCNC[C@](C)(CCC)CC1=CCCCC1	2247489683	IJCAZVDOPALXLX-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CCCC[C@](C)(CNCC)CC1=CCCCC1	2247491451	ZJIPUUHVBIRSIW-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CCc1cccc(F)c1N[C@H](C)C(C)(C)CC	2248101671	FKFFEXVLONCPTE-LLVKDONJSA-N	237.362	4.625	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@](C)(O)CC1CCC1	2248868829	DOTLWMNFKXHZFX-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC[C@H](C)N1	2250476809	QHJKSXXQTVMBAG-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CC1CC(CC[C@@H](N)CCCCCC2CC2)C1	2251759207	LGJAOEWXRUNPMS-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CC1CC2(CCCC2)C1	2254118181	DKYUUXLIVVBGPN-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCCC12CC2)C1CCCC1	2255231692	CAKRDSLLGCBIIW-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1NC1CCC2(CC1)CC2	2256142841	WVQLXABKQKSXSC-UHFFFAOYSA-N	247.357	4.523	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@@]12CCC[C@H]1C2	2257307037	KJSHBQCEOOGENS-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](C)c1cc(C)ccc1C	2259463760	OEFFSZVVENZGQU-HOTGVXAUSA-N	247.426	4.780	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@@]23CCCC[C@H]2CC3)C1	2260546732	CNDLXXZGRZOQQJ-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(NC[C@]12CCCC[C@H]1CC2)C1CCCC1	2260597219	UDODMVVGKYYVGV-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@H]1CC[C@@H]1CNC(C)(C)C	2300702253	WNPMXPKPHPQRIB-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CCc1cccc([C@@H](C)CC)c1O	2300898532	FQGLOOKLJVYWEQ-ZDUSSCGKSA-N	232.367	4.805	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CCCC(F)F	2300903588	GDAFHLNQDYWZEL-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(O)CC1CCCCCC1	2301135504	LBSYTZIWRJZJMC-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CCCC1CCCCCC1)NCC	2301142743	MFRVXVFGOAFLQI-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)C[C@H](CNC(C)C)[C@@H](C)[C@H](C)C(C)C	2301830525	XVAKHPMWOFZZPT-OWCLPIDISA-N	241.463	4.575	0	10	BJAE	
CCC(CC)N(CC)CCCC1=CCCCC1	2302354152	NTWJZQWECCQSBQ-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)[C@H](C)CC	2302355876	GZEMIZBJTXEJNG-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CC1(CCC(=O)C[C@@H]2CC[C@H]2C(C)(C)C)CC1	2303454275	LOXBLERRHQHOBS-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@H](C)NC[C@@H]1CCC(C)=C(C)C1	2303598052	XVBLMUHGJXWZQQ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCNCCC=CCC[C@H]1CCC(C)(C)C1	2304447459	OCONTGZWVKMAND-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@H]2CCCC23CCC3)n1	2307692995	JPFODYFUDILILS-GRYCIOLGSA-N	247.407	4.704	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC)CCCC[C@@H]1C	2307894303	QWKCVPGEQGNREW-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)C(C(C)C)C(C)C	2307899913	DLZCFYZPLVSMIP-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC1(CC(=O)[C@H]2C[C@@H]3CCCCCC[C@@H]32)CCC1	2309181267	VYNUHRAJOIZHNM-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)[C@@H]1CCC[C@H]1C(C)C	2309895646	NWTIGDIXKMWLLD-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC(=CCc1ncc(F)cc1C)CCCC(C)C	2316565532	PJDOZTKYOXPZID-UHFFFAOYSA-N	249.373	4.844	0	10	BJAE	
CC1(C)CC[C@](N)(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316872173	HLQUHHZNWHZJFR-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316877551	GHUOCNVYKVWQBS-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317157943	RLAYXZKAOVFZHZ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C[C@@H]1C[C@H]2C=C[C@H]1CCC2)NCC	2317159332	YLXHEARNIZONET-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@@]12CCC[C@H]1CC2	2317910202	FPOKEVDYYPMNMR-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CC[C@H]2CC[C@H]1C2	2318552249	WRMJJEWDRMIJJV-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
CNC[C@@]1(CCCC2=CCCCC2)CCC[C@H]1C	2318584355	ZQHKUQQTNUUANQ-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)CC1CCC2(CC1)CC2	2318932620	WWNUUFAAFMEGSJ-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC1(N)CC2(CCCC2)C1	2320259597	WCVYLAAFKWGJBD-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC(C)(C)C1)[C@@]1(C)C=CCC1	2321602013	DBGIHRGMEGSTRN-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C=C1CCC([C@@H]2CCNC2)CC1)CC	2328097739	NZYZPFXUKRLZOI-NZIKIWFDSA-N	249.442	4.539	0	10	BJAE	
CCn1c(=S)sc2ccc3ccccc3c21	5317355	OJDGRIWANFTMKT-UHFFFAOYSA-N	245.372	4.605	0	10	BJAE	
CC[C@@H](N[C@H](C)CCC(C)C)c1ccc(C)cc1	19982565	WHDFVRBSMBWMFO-NVXWUHKLSA-N	247.426	4.860	0	10	BJAE	
CC[C@H](Nc1cc(C)ccc1F)c1cccs1	20471538	VCKVYPYRTSYSOC-LBPRGKRZSA-N	249.354	4.759	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1ccc(CCC)cc1	20482524	KOWNMYRDCKRDTA-NVXWUHKLSA-N	247.426	4.855	0	10	BJAE	
CCCCCC[C@H](C)Nc1cc(F)ccc1C	20520094	HAOHVRPPMSXINW-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
CC(C)NC1CCCCCCCCCCC1	20556718	WCPQEWGWOWPLSW-UHFFFAOYSA-N	225.420	4.658	0	10	BJAE	
CCc1ccccc1N[C@@H](CC)c1cccs1	21011797	UEOOGSZODWYHLW-ZDUSSCGKSA-N	245.391	4.874	0	10	BJAE	
CCCN[C@H](c1cccc2ccccc12)C(C)C	54439410	KAUHJTXRJRDNSF-KRWDZBQOSA-N	241.378	4.537	0	10	BJAE	
CC(=O)c1ccc(S[C@@H]2CCC[C@@H](C)C2)cc1	54691621	DHFAGPMLIDZHPG-IAQYHMDHSA-N	248.391	4.560	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)c1cccs1	71085130	NJYKLXIGSANGKQ-STQMWFEESA-N	239.428	4.615	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](C2CCCCC2)C1	80415751	JPKAEJKWSZCQOV-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@](N)(CC)CCCC	83186048	GBZFAIHQVMGQAC-GJZGRUSLSA-N	227.436	4.891	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCC[C@H](CC)CC1	83520529	VZMWCYBJVXKEML-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCC1CCC(Sc2cccc(N)c2C)CC1	91941194	AQMIXUNAKQWTAE-UHFFFAOYSA-N	249.423	4.638	0	10	BJAE	
CCC(CC)[C@H]1C[C@@H](c2ccccc2)CCC1=O	94676067	UCDUEDDNIPGBKZ-JKSUJKDBSA-N	244.378	4.576	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1CCCC1(C)C	94984620	LQJVQHVDOAQSEK-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(CC)c(CC)c1	97469128	KXQJDLYXZPYHPG-KRWDZBQOSA-N	247.426	4.782	0	10	BJAE	
Cc1ccc(NC2CCC(C(C)C)CC2)c(C)c1	109745778	DXXWSVQEIGWWMY-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1	109786745	WSWPPJOZVFRJDP-TZDHZFECSA-N	243.394	4.801	0	10	BJAE	
CC(C)c1ccc(CCC(=O)C2CCCC2)cc1	133005961	JINUTUYVLNQFDH-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC(C)CN(C1CCCCC1)C1CCCCC1	147037968	MNLRLFIEJAZPPK-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CCCC(C)C)CC1	165634543	AQSMTIZKRFAGFE-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
Cc1ccc(-c2cccc(O)c2)c2ccccc12	199580144	DHVQMAXREDTYGZ-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
CCCCC[C@@H](O)c1ccc(C2CCCC2)cc1	226286875	UBGBVUJXJGITND-QGZVFWFLSA-N	246.394	4.958	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@H]1CCCC1(C)C	226866716	QLDBZLBIAVEXLA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C1=C(CCN[C@H]2CCC23CCCCC3)CCCC1	230169388	QRXLXBGLMMDICW-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCC23CCCCC3)[C@@H]1C	230171870	CMSUMOVQLAMAFS-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@H](C)c1ccccc1	233090138	DWLUOUXZZAWPCZ-RHSMWYFYSA-N	247.426	4.595	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C1(C)CCCCC1	234415568	TZGUXWVPQKLGKZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](CC)C[C@H](C)CC	251965427	WBULGGVGHFQDNF-XGUBFFRZSA-N	227.436	4.616	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCC[C@H]1C	300369601	YQIOHOVEWOGTSC-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)[C@H](C)CCC	300846244	AMGVHCPIYMZWTK-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](CCCC(C)(C)C)C1	304139834	GWCUUUJKBVVIIU-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(F)c(C(=O)CCCC(C)(C)C)c1	304154010	RLMIDHIUELSZSV-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cc(C)c(F)cc1Cl	304355793	LOAXNKJXZHQYNX-WPRPVWTQSA-N	243.753	4.634	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)c1ccsc1Cl	308360086	ULKHAZTVLILMDU-KOLCDFICSA-N	246.803	4.507	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC2CCC1CC2	310354472	RLUOVSYLZOVJLF-SLTXQBBLSA-N	237.431	4.514	0	10	BJAE	
c1ccc(-c2ccc(N[C@@H]3CC[C@H]4C[C@@H]43)cc2)cc1	311757799	ZZXCAUJTKLDUHK-RYQLBKOJSA-N	249.357	4.564	0	10	BJAE	
CC[C@H](N[C@H]1CCCC12CCCCC2)C1CCC1	313057145	XSOMIFHHNVXBGK-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](N[C@H]1CCC[C@@H]1CC)C1CCCC1	313422745	FOJUACPQYCEMSY-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@](C)(CC)[C@@H]1C=CCCCCC1	318374979	BMEHWTGEVLHKJZ-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](C(C(C)C)C(C)C)[C@@H](C)C(C)C	319307677	JMXCBNMFMSMPMB-GOEBONIOSA-N	241.463	4.575	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCCCC[C@H]2N)CC1	380105707	YKAUPBOTBBXLNF-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@]1(N)C[C@@H](C)C1CCCCC1	380175031	XNKIWCCBJYUHIG-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@]1(N)CC1CCC(C)(C)CC1	380236081	ZAVPYQINFLZOGU-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C1CCCCCC1	383524803	LMWFANLRLNGCHD-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H]1CCCC[C@H]1C	384392404	ATODFBKYKFDNRN-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCCc1ccccc1[C@@H](O)CCC1CCCC1	384484950	HWZDLLZWHJLYRV-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CN[C@H](CCCCC1=CCCCC1)C(C)(C)C	384894150	ZGHQFCVXENIVML-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](C[C@H](C)c1ccccc1)C(CC)CC	385102767	HYDAVMGOFRMWGV-WMLDXEAASA-N	247.426	4.595	0	10	BJAE	
Cc1cc(C(=O)C2CCCCCC2)c(C)cc1F	386376119	ZTNHJEBJNCGCHX-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CC(C)C(C)(C)CN[C@@H]1C[C@H](C)c2ccccc21	386396153	WBZWAOYXUBUIPE-XJKSGUPXSA-N	245.410	4.507	0	10	BJAE	
C[C@@H](CNCCC1=CCCCC1)C1CCCCC1	386539335	QXHMVMYRISSFSZ-HNNXBMFYSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCC(CC)(CC)CC	391165442	IUQLVKDQVNQQAP-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc(OCC2(C)CCC2)cc1	393848824	IMGRHDSLLRRLMS-ZDUSSCGKSA-N	232.367	4.769	0	10	BJAE	
CC[C@H](C)CCNc1cccc(Cl)c1Cl	394393610	AGWBIYWWQMIJPY-VIFPVBQESA-N	246.181	4.842	0	10	BJAE	
CCCC[C@@H](CCC)NCC1(C)CCCCC1	394602914	NYHPJGORIAPWFQ-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCc1sc2ccc(C(F)F)cc2c1S	396237466	ISBQVFHHXXIZST-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@H](C)C(C)(C)C	399123508	PMVGHPABLAEMQS-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](CCC2CC2)NC)cc1	400907167	QEPGOSBRDAVPOT-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
O=C(CC1=CCCC1)c1csc2ccccc12	401123280	MOSWTSMSXVSHIF-UHFFFAOYSA-N	242.343	4.584	0	10	BJAE	
CC(C)CCCCC[C@H](N)CC(C)(C)C1CC1	405713767	FUFBXEGMNNXFNG-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(CCCC2CC2)CC1	406026100	JWCYAXWSCRBBRT-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(NCC2(C(C)C)CCC2)cc1C	687269048	DJVGGQIEMHBPQD-UHFFFAOYSA-N	245.410	4.796	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CCCC2CCC2)CC1	688425843	XGYWPFWBZWFIOT-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1N[C@H](C)CC1CCCCC1	689757473	VORRRKWUHWYBLU-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)cc(NC[C@H]2CC3CCC2CC3)c1	691722467	MUNNGLZPCBEDHQ-UYSNPLJNSA-N	243.394	4.542	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H]1CCCCC[C@@H]1C	695058366	DOZXZSVZCFHOJZ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC1CCCC1)[C@@H]1CCCC2(CC2)C1	695980908	BNWRKRJTTRDUOI-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1CCCC[C@H]1C1CC1	696106242	AOQZKCRLVHJTTB-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@](CCC=C(C)C)(CNC)C1	698025097	QLYKMTRKPPVHEJ-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CC[C@@H](C)c2ccccc21	701069796	BMLSAVAMHOBQFA-CXAGYDPISA-N	246.394	4.598	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccc(Cl)c(C)c1	701095999	PCPPWPHMCIZSSM-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cccc(Cl)c1C	701096282	SLQHYQRQXBQHSD-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CCN[C@H](C1CCC(C)CC1)C(C)(CC)CC	701131795	BBCOFBMNFWZLAM-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1(NCCCC2CCCCC2)CC1	701443343	JLAPTJCGXJRHKI-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)C2CC(C)(C)C2)cc1	701472101	ZBUMZBBHCICFDD-WBMJQRKESA-N	245.410	4.636	0	10	BJAE	
C[C@H](CC(=O)[C@@]1(C)CC1(C)C)C1CCCCC1	702198299	PPQKTQZVLHJANH-MLGOLLRUSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cccc([C@@](C)(N)CCC(C)(C)C)c1	704883639	XKPQXYZVHRUSDD-KRWDZBQOSA-N	247.426	4.810	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)[C@H]2CCCC3(CC3)C2)C1	710141605	RNJGBDFWHIXRAV-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](Nc1csc(C)c1)c1cccs1	710705774	ONJMWQSPHKJTDR-LLVKDONJSA-N	237.393	4.681	0	10	BJAE	
C/C=C/C[C@@H](C)c1cc(C)c(C)cc1F	714559360	SQDNQHQFVQEKBY-BRAIEQGRSA-N	206.304	4.512	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CC1	716833378	DGWAGXZMLWSRNW-DZKIICNBSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)c1cocc1C	718573670	IUWRKVOBBNGYDH-INIZCTEOSA-N	249.398	4.765	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2CC2(C)C)cc1	722896824	NBWBABNWYUAUNW-JSGCOSHPSA-N	232.367	4.625	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNC[C@H]2CCC=CCCC2)C1	1308975815	YUSWLKIBWSDNPD-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@H](C)SC[C@H](C)C1CCCCC1	1458965985	APWIYFFVYJKQHT-STQMWFEESA-N	228.445	4.981	0	10	BJAE	
C[C@@H](NC[C@@H]1CCC=CCCC1)C1CCCCC1	1474746588	YWPKGPZOPNKLNM-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1csc(SCC2(C)CCC2)n1	1641252195	BMWBUPPLBOPRPI-UHFFFAOYSA-N	241.425	4.549	0	10	BJAE	
C[C@@H]1CCC[C@H](CCSc2ccccc2)C1	1656053619	ICFVLXIOIGFUEE-ZIAGYGMSSA-N	234.408	4.995	0	10	BJAE	
CC=CCCCN(Cc1ccccc1)[C@@H](C)CC	1880242864	LTKNFZHDTPFXTG-INIZCTEOSA-N	245.410	4.643	0	10	BJAE	
CCC1(C[C@@](C)(N)CCCC(C)C)CCC1	1900595990	FWVUYNJBIRLDAJ-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC(C)=CC[C@H](N)C[C@@H](C)CC(C)(C)C	1900855330	RWKGAGCBOPEYKV-KGLIPLIRSA-N	225.420	4.523	0	10	BJAE	
C/C=C/CCCc1cccc(C)c1Cl	1902965023	UVONHQFWMJJLGM-ONEGZZNKSA-N	208.732	4.547	0	10	BJAE	
Fc1ccnc(Cl)c1C1=CCCCCCC1	1903365505	FXTGHYIEXRWCGM-UHFFFAOYSA-N	239.721	4.612	0	10	BJAE	
CCCCC[C@](C)(O)SCC(C)(C)C(C)C	1904775544	VWEJLCAEBPLRPN-CQSZACIVSA-N	246.460	4.691	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@]1(C)C=CCCC1	1905430708	DINIJNNXRBCULN-ZFWWWQNUSA-N	222.372	4.518	0	10	BJAE	
CC(C)c1cccc(NCCC[C@@H]2C[C@@H]2C)c1	1908567295	AYTKFNYDQWJQGI-DZGCQCFKSA-N	231.383	4.658	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)C1CC2(CCCCC2)C1	1912604954	QSFSIHMFJWQPHU-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](N[C@@H]1CCC2(CCCCC2)C1)C1CCCC1	1915872686	TYVZQOKGNHBDRN-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC1(C[C@@]2(N)CCC3(CCCCC3)C2)CCCC1	1915893280	PERJRJKHRHZJRG-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC(C)(C)C)C=CCCC1	1916568700	LPYMDHAGRKJUNF-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H](C)CCC	1920201206	GITOTAWHBVUPIM-UONOGXRCSA-N	213.409	4.501	0	10	BJAE	
CC(C)CCC[C@H](O)[C@H](c1ccccc1)C(C)C	1921321289	WZOMJYJLUXYVDQ-IRXDYDNUSA-N	248.410	4.613	0	10	BJAE	
CNC[C@]1(CC2(C)CCCC2)CCCC12CCC2	1921585283	DYCRPHFDTRJIAT-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCC1(C(=O)C[C@H]2C=CCCCC2)CCCC1	1925764439	ABHUONKKXRZADW-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H](C)c1csc(-c2ccsc2C)n1	1930058640	CQPKJDRDKWULMY-MRVPVSSYSA-N	237.393	4.694	0	10	BJAE	
CCCCC[C@@H](NC)c1cc(Cl)sc1C	1933602434	LLHMCYXZWCRFCQ-LLVKDONJSA-N	245.819	4.551	0	10	BJAE	
Cc1cscc1C(=O)CCCCCC1CC1	1936422197	YFZOEHNDLWXPNK-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCc1csc([C@H]2CCCC(C)(C)CC2)n1	1939902510	DTHVIZASVUTWRO-NSHDSACASA-N	237.412	4.779	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)C(C(C)C)C(C)C	1940255205	FHBZXEGHYCVACA-UONOGXRCSA-N	241.463	4.717	0	10	BJAE	
CC[C@H](CNCCC1CCCCCC1)C(C)C	1941934209	IUTSHCATCOBABH-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCCCCNC[C@@]12CCCC[C@@H]1CCC2	1944193525	DVPRCSROMFBTEP-CVEARBPZSA-N	237.431	4.517	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@]12CCCC[C@@H]1CCC2	1944223071	CHPAMLFZFDVTCF-AYDFFVQHSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)c1csc2ccccc12	1944623432	RBLKNDDARTTYFN-AWEZNQCLSA-N	248.391	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](C[C@@H]1CCC[C@H]1C)NCC	1944845906	LGHLZAZMTATTPM-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)(C)C)CC(C)(C)F	1947084026	MZYMZMZFNYVROA-OLZOCXBDSA-N	245.426	4.565	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCCC1(C)C	1947445326	ACVRGUPBZQNLRX-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)CC1CCCC1	1947465518	VPSCBQAOFQBEPL-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)CC(C)(C)CC	1947584337	FVYXZGSNPJIBSD-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1CC(C)(CC)C1	1948406623	CPBVBBKGGYWWLB-RXFTYZNJSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@@H]1CCCC[C@H]1CC	1948860562	CENAQMTXOTWECL-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC1([C@H](N)C2=CCCCCC2)CCCCCC1	1948976289	DGIHFCSEOYAPRT-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CC1(CO)CCCCC1	1950373779	WACOSMIRPHWRPZ-LSDHHAIUSA-N	238.415	4.536	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@@H]2CCC(C)(C)C2)CC1	1950922889	QQKLNJRUQLQZSY-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@]1(CNCC)CCC[C@H](C)CC1	1950929967	LOBKWTWJIQCYNB-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C1(CC)CCC1	1951235000	NRNFLEMTUPLUAQ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1[C@H]2CCCCC[C@H]21	1960871806	LMHPQXNNRFORQR-FICVDOATSA-N	206.373	4.949	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCC[C@H](C3CC3)C2)C1	1963183046	PRJREPTWNCCATL-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@@H]1CC[C@H](C(C)C)C1)c1ccccc1	1963312954	DPIVHGKIVRLKLC-GVDBMIGSSA-N	245.410	4.552	0	10	BJAE	
CCCC1CCC([C@H](C)NC(CC)CC)CC1	1968318068	CCNTWJRSGAPWDV-NFOMZHRRSA-N	239.447	4.760	0	10	BJAE	
CC(C)[C@@H](C)N[C@@H]1CCCC2(CCCCC2)C1	1968369566	WPFHVERQXUARSB-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)N(C)Cc1cccc(C(C)(C)C)c1	1968854260	PQARIXRNPOBOOB-AWEZNQCLSA-N	247.426	4.605	0	10	BJAE	
CCC(=O)c1ccc(-c2cc(C)sc2C)cc1	1969505316	IZESIYPWZFBSSI-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1CCC2(CCC2)C1	1970302523	KKIGFGVJBYLXHB-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC(C)Sc1ccccc1N[C@@H]1CC[C@@H](C)C1	1970344703	UPVGKQNLONZFMJ-CHWSQXEVSA-N	249.423	4.788	0	10	BJAE	
C[C@H]1CCCC[C@H]1CNC1CC2(CCCCC2)C1	1972428048	DHZGXGIYQZVQCK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1csc(C(F)F)c1	1978583466	VVNBXTSJZDEZPX-SNVBAGLBSA-N	248.338	4.545	0	10	BJAE	
CC=CCCCC(C)(C)CCNC(C)(C)C	1984629669	JSZAQSZZUONTCW-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)C1(C)CCCC1	1987620904	MMUWNMHERJFROM-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)CCC1CCCCC1	1988299991	NYWXPACOXYKPRY-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCNC[C@](C)(CCC)CC(C)=C(C)C	1989652383	VQOUGZVGEKQUSQ-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCCC)C(C)C	1995202922	ICUGIPDAHNXODH-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCCN1CC[C@@H](C)C[C@H](C)C1	1995764186	MLLUDMLWMXCAFF-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1CC[C@H](C)C1)NCC	1996248691	XPVWVEOAFFFUPO-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](CC2(CN)CCCCCCC2)C1	1996262786	GTJNQNQNDYFQIY-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CCC/C=C/CNC[C@H]1CCC[C@H](CC)CC1	1997215832	RBWIVUCAIGUEKE-MIVXPEEVSA-N	237.431	4.539	0	10	BJAE	
CCCNCC(CC)(CC)CCCC1CCC1	2000505637	SRHZLSRNICFRBN-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@@H]1CC12CCCCC2	2001224137	GJPDLLCJIIZXNH-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1CC(C(=O)CC2CCCCCC2)C1	2002326073	MQQGUNWXBJBURQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)C1CCC(CC)CC1	2002922712	CGWVMCYYBOOWON-LMPOIIKSSA-N	239.447	4.760	0	10	BJAE	
CCC1CCC([C@@](C)(O)CCCC(C)C)CC1	2002926896	RLYCWJZXVHDTDL-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCNC[C@@H]1CCCC(C)(C)C1	2002992534	CPLZDANUSNICOZ-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CC[C@@H](N(C)C2CCCCCCCC2)C1	2003166741	JECKDPGQEKKBHR-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
Cc1cc(C(=O)C2(C)CCC3(CC3)CC2)cs1	2007684056	YDMLSMTVBBWQAO-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1C[C@@H](C)C1CCCCC1	2009238382	UUYOOWQYQWNMTC-YUELXQCFSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](O)[C@@H](CCC2CCCC2)CC1	2009408465	UKVOOWWZAJHGPI-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2CC=CCC2)CC1	2009411189	OFCBYCLRLUISOF-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
C/C=C/CCC[C@](C)(N)[C@H]1CCCC(C)(C)C1	2009570440	BDQMLXRBGRIFNF-NCVJHSOJSA-N	237.431	4.667	0	10	BJAE	
CC(C)CC[C@@](C)(N)C1=CC[C@H](C(C)C)CC1	2010739601	REWWQBNNAOZFDH-GOEBONIOSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](C)C[C@](CC)(CNC(C)C)C(C)C	2012414337	XHVWGHDMEATRHH-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@@H](C)CC(C)(C)C	2013269958	DGBNZQIBPLHGHP-GOEBONIOSA-N	241.463	4.993	0	10	BJAE	
CCCC1(C[C@H](N)C2(C)CC(C)(C)C2)CCC1	2015589761	ZEYBKHZYHKMSNB-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC1(CC)CCC1)CC(C)C	2015596733	UQPWQAGPWYWTHH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
COCc1ccc(CCCC(C)=C(C)C)cc1	2016777029	XWUUKKBYZYYBTH-UHFFFAOYSA-N	232.367	4.512	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C[C@H]1C[C@@H]1C)NCC	2016852872	URXRWPPOVVKNJL-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@]1(O)CC1(C(C)(C)C)CCC1	2017115289	WVOUWNCQKJBACM-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CC(C)(C)C)CC1(C(C)(C)C)CCC1	2017139782	ZGGWLUPKDFBWCW-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](N)CC1(C(C)(C)C)CCC1	2017140179	DLZMRGZDICLFOJ-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)CCC2CCC2)CCC1	2017141869	SCLGLRVUYHWQDJ-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@](O)(CC)CC2CCCCC2)CC1	2018978168	ZYRPXDHTWTZPFF-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H]1C=CCCCC1	2019531344	CZFSFDYLDXLYDL-CQSZACIVSA-N	225.335	4.621	0	10	BJAE	
CC[C@@](O)(C[C@@H](C)C1CCC1)C1CCCCC1	2019782317	WKTAVVSUNFOVBH-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@]1(O)CCCCCC1(C)C)C1CCC1	2019790536	LQXAYATUBYLQMY-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C(C)(C)C1CCC1	2020964602	HYLCUQAZMINVIF-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(O)CCC[C@@H](CC)CC1	2022448367	NJRYLMMMNOGQNC-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@](C)(N)CC1CCCCC1	2022563359	QAUSQSSLLYUTNE-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C(=O)[C@@]2(C)CC=CCC2)ccc1Cl	2022726784	FGCUJVDZMOFVCJ-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCC[C@H]2CCCC[C@H]21	2022991373	JHGAASYPDTXTDQ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
c1sc([C@@H]2CCCCC23CC3)nc1C1CCC1	2026539161	ZSWQBERYPXASNW-LBPRGKRZSA-N	247.407	4.848	0	10	BJAE	
c1sc(C2C[C@H]3C[C@@H]3C2)nc1C1CCCCC1	2026597315	LAYKYIPBRJVARG-VXGBXAGGSA-N	247.407	4.704	0	10	BJAE	
CN[C@@H](C[C@@H](C)C1CC1)c1ccccc1C(C)C	2027627028	SYTVLCRYKLMOPV-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1CC1(C)C)c1ccccc1	2027843441	QRAUMEPRUABLDK-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
CC(C)CC[C@H]1Nc2cc(C(C)(C)C)ccc2O1	2027872406	ZAZXQRBNQLAASE-HNNXBMFYSA-N	247.382	4.551	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1cc(C)c(C)cc1C	2028242160	YHQOTRATKMDSOP-RDJZCZTQSA-N	248.410	4.718	0	10	BJAE	
CCCc1ccc([C@H](N)[C@@H](CCC)C(C)C)cc1	2028261898	ILDBEWPPGRMRRA-IRXDYDNUSA-N	247.426	4.711	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)[C@@H](C)C1CC1	2028908836	VJYWHIDDPCAJQD-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(NCC2CC[C@H]3C[C@@H]3CC2)CCC1	2028972822	NIAQOHFPBMQOOE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@@H](C)CCC(C)C)c(C)c1	2029825525	QIMQJQMLCMNENZ-GUYCJALGSA-N	247.426	4.684	0	10	BJAE	
CC1(C[C@H](N)[C@@]23CCCC[C@H]2CCC3)CCCC1	2031757196	GSIHIWCFBPFXQM-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@@H]1CC12CCCC2	2036102295	YKBKNVINZWSHRY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)C1CC2(CC2)C1	2036200698	SEFDSXKDHFOTQA-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(n2ccnc2C2CCCC2)C[C@H](C)C1	2036775753	IQSDXNHBBYXJRH-CHWSQXEVSA-N	246.398	4.538	0	10	BJAE	
CC1([C@H](N)CC[C@H]2C[C@@H]2C2CC2)CCCCCC1	2037131602	UEZAHSLYZZFMOX-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C=CCCCC2)CCCCCC1	2037268377	DTMBKDXYRXGOIR-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@@H]([C@@]2(N)C[C@@H]3CCCCC[C@@H]3C2)C1	2037589992	GXSAUHXUZOPOCV-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](c1cccc(N)c1)[C@@H]1CCC2(CCCC2)C1	2037690884	ADIMVNOGJHYBLP-UKRRQHHQSA-N	243.394	4.733	0	10	BJAE	
N[C@@H](CC[C@@H]1CC2CCC1CC2)CC1CCCC1	2038109812	JBUKFFAUHZJLNO-BACDZXNISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(N[C@H]2C=CCCCC2)CC(C)(C)C1	2039033721	YSAPZECSBUKBLU-AWEZNQCLSA-N	249.442	4.680	0	10	BJAE	
C[C@H](NC[C@@H]1CCCC12CC2)C1(C)CCCCC1	2039871551	FBKDTUGPDVIJKT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CC[C@H](C)C1)c1ccccc1	2040172937	PMXIKWQRHMOPTA-UXLLHSPISA-N	246.394	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)c1cccc(C(C)C)c1	2040719000	ILVDKOGOXIVQQR-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
C1=CC[C@H](N[C@H]2CCCC3(CCCCC3)C2)CC1	2040762976	KNMGUURFGLCXRG-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(N)C2CC3(CCC3)C2)C1	2043539904	GZSWYXXKUDRYCU-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](N)C[C@@H]2CCC=CCCC2)c1	2045304962	KPBOQHVMXZMFOC-NVXWUHKLSA-N	243.394	4.521	0	10	BJAE	
O=C1C[C@H]2CC[C@@H](C2)[C@H]1C[C@@H]1CCC=CCCC1	2045311039	PYELALYQIYUAFU-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
CC1CC(C)(CNC2CC3(CCCCCC3)C2)C1	2046231163	COFVBBRKRVBJOP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC1CC2(CCCCCC2)C1	2046233877	UPPWWCLKYDKNOM-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CCCC2)CC1(C)CC1	2047017023	SMFHUDXAVQIIQI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C(=O)C[C@H]2CC23CCCCC3)CC1	2047051656	HCNQNYKYIFZJKF-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
C1CCCC(NCC2[C@H]3CCCCC[C@H]23)CCC1	2048401655	YTDCWVUEICJGPP-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@H]1[C@H]2CCCC[C@H]21	2048472598	CTHHKUVTXBAAQZ-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
N[C@@H]1[C@H]2CCCCCCC[C@@H]2C12CCCCCC2	2049671019	ACUNQMFVJXNWNT-HRCADAONSA-N	249.442	4.645	0	10	BJAE	
NC1(CC[C@H]2C[C@H]2C2CC2)CCCCCCCC1	2049675038	JDNJCUDKGSBKCW-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC2(CC2)C1)C1CCCC1	2049864937	KZIIFDKEYPGRFI-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(N)C2CCCC1CCC2	2050012525	RVZWONDKFQTDDP-MOINJDMASA-N	249.442	4.501	0	10	BJAE	
CN([C@@H]1CCCC(C)(C)C1)[C@@H]1CCCCC12CC2	2053432758	YUPGUXOUHQEZCG-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CN[C@H](C=C1CCCCC1)C1(C)C(C)(C)C1(C)C	2056872623	FQPUFVPUWCMIGJ-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2[C@@H]3CCCC[C@@H]23)CC1	2058991258	IGMLUZZYOWRUSU-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H]1[C@H]2CCCCC[C@H]21	2059250081	NGAYHSQVLLMXPW-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C1=CC[C@H](C)CC1	2060925198	JJHPKQZJSBDGDZ-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C)([C@H](N)C2=CCC(C)(C)CC2)CC1	2061095293	MFLUSLSKEQKUSY-GNHJJJEISA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)[C@H](C)C2CCCCC2)CC1	2061113521	PKLGAXONNKJGRH-KEYYUXOJSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1NCC[C@]12CCCCC21CCCCC1	2061513072	PAVTWCPQSFMQNQ-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(CC[C@]12CCC[C@H]1C2)[C@H]1CC1(C)C	2061619182	ZINXORGYTMCECH-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1CC(=C2CCC2)C1	2061737916	WKYYTNGQQYNVSP-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@@H]1CCCCCC12CC2	2062016315	FXOFUERTGVEAQT-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063489167	XMWGZNBBVXUIBN-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063490195	IZXUFGASROCJJN-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063501227	NIZYZXOKVDEMJB-QOIQYRQASA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](Nc1cc(C)ccc1C)c1occc1C	2063670561	DQZXDFRHHNOABO-CQSZACIVSA-N	243.350	4.768	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC(C)(C)C2)n1	2066348246	ZXLXXDKPAILDFZ-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C[C@@]23CCC[C@@H]2C3)C1	2070927790	WAJJHIMOYNBVKR-ABFRBSLYSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H]1CC[C@@H]2C[C@@H]12	2071063800	VXBWLDMBNQLWPE-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@@H]1C)C1=CCC(C)(C)CC1	2071510945	LLHHQNBNFMXZOF-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC12CCC(CC1)C2)C(C)=C(C)C	2072415877	ABBOTQLHWDCXNO-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
C=C=CC[C@H](CC1CCC(CC)CC1)NCCC	2072795396	DDMKOTWJFKGCHE-OFLPRAFFSA-N	249.442	4.692	0	10	BJAE	
CCC1(C[C@H](O)c2cccc(C(C)(C)C)c2)CC1	2074615477	ZTGPNVUDHSGUQL-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@H]1CC(C)=C[C@@H](C)C1	2074629745	SERDLVFCSAPNOW-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CCCC12CCCCC2	2074899988	OAAOZKPUNCTRRK-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
CCCCN(Cc1c(C)cccc1C)[C@H](C)CC	2074919331	RUDBRTSGKGBOMK-MRXNPFEDSA-N	247.426	4.704	0	10	BJAE	
CCCCN(Cc1cccc(C)c1)C1CCCC1	2076584768	IUUAKGLVQHWUAU-UHFFFAOYSA-N	245.410	4.540	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@H]1C[C@H]1C1CCCCCC1	2079524629	WPENSGQWLJGKIF-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCc1ccccc1[C@H](C)Nc1ccc(C)cc1	2081207002	QLJTYCUDSDAHAY-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@@H](C(C)C)C2)cc1	2085240336	UENVDLHFAWIZNP-NVXWUHKLSA-N	245.410	4.876	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H]2CCC[C@H]1C2)C1CCCCC1	2086156851	KHZYBOGPTRSVDO-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
Cc1c(C(C)(C)C)[nH]c2c(F)cc(Cl)cc12	2211236799	WINOVSIBXGXSJL-UHFFFAOYSA-N	239.721	4.566	0	10	BJAE	
CCC1([C@H](O)CCCCCCC2CC2)CCC1	2213579042	QKWHZRBCIRCZEB-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CCCCC2CC2)CC1	2214570296	QUZXPVWPZSBOQU-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
N[C@H](CCCC1CCCCC1)C1CCCCC1	2214781049	SHCJXDNCHMCKNG-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)C[C@@H](O)CC1(C)CC2(CCC2)C1	2215463751	CFHRHIZWIJFKBQ-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CN[C@H](C)CC)CC(C(C)C)C(C)C	2217147784	MMTVUVHEQJKHGL-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CCCC(=O)[C@@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218332597	MZBDQQHIMQCOBT-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(NC[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218344665	XUJJWTGZJOEFKC-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@]1(C)C=CCC1	2220028925	XGJVPJWWENAUHV-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)CC1(C)CC2(CCC2)C1	2221016134	LCYINROSFBWLFX-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H](C)Oc1cc(C)cc(C=O)c1	2221589637	FPONCDNUJDFMDA-AWEZNQCLSA-N	248.366	4.545	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@]1(C)CC=C(C)CC1	2221634216	YAWALXHQDNYDRZ-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)CCC2CC1C2	2223162173	TYOVTCZMUXORSQ-JCYILVPMSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](N)CCC[C@H](C)CCCC(C)C	2244845019	KFFMTKNUVIVNAN-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
C[C@](O)(CC1=CCCCC1)CC1CCCCC1	2247455312	KTGRNIUSCOYMJL-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC(=O)CCCCC[C@H]1C[C@@H]1C	2248858345	QJVBEECYPOAYPN-ZFWWWQNUSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CCC(C(C)C)C(C)C	2250359034	QASIOBLTTJMWBB-ZBFHGGJFSA-N	242.447	4.882	0	10	BJAE	
CCCN[C@H]([C@H](CC)CCC)[C@@H]1CC[C@@H](C)C1	2250360832	YYCPPBDFZAKOGQ-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(N)C1CCC1	2250477463	XVIOHEOMWDCNMJ-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCNC[C@H](C)CC[C@H](C)CCCC(C)C	2250489672	ARAVWVUTQOZLMZ-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
C/C=C/CCC[C@H]1CCC(C)(C)[C@@H]1NCCC	2251702465	RSAMEGIMJMKTCM-SJKUQHEZSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1ccc2ccsc2c1	2253085293	BTVGOMYZRKRYOJ-NHYWBVRUSA-N	248.391	4.617	0	10	BJAE	
CN[C@H](CCC1CC1)CC[C@@H]1CCCCC12CC2	2253859789	YEJCZDUQKGYDHN-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@]1(N)CCCCCC12CC2	2254589251	IWOPRZGORVLIPY-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc(C(=O)CCCC[C@@H]2C[C@H]2C)c1	2254592987	OQQXHRMNEKZKCD-HUUCEWRRSA-N	244.378	4.703	0	10	BJAE	
CCN[C@H](C[C@H]1CCC1(C)C)[C@]1(C)C=CCCC1	2255015629	SQVZDMRNPLYKHJ-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
N[C@H]1CCCCCCCC[C@H]1CC1=CCCCC1	2255092947	XGVGFJZFQVADEP-IRXDYDNUSA-N	249.442	4.955	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@H]1CC1=CCCCC1	2255096340	KFUJOJBYLVURFF-IRXDYDNUSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CC[C@H]2CCCC23CC3)C1	2255262949	BBORYFXWODTFQR-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@H](O)C=C2CCCCC2)cc1	2256316162	ZBQUYOSHOPMFGG-QGZVFWFLSA-N	244.378	4.563	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@]12CCCC[C@H]1CC2	2260487188	LKBASNCPLUYBLB-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC=CCCc1ccc(-c2ccccc2)cc1	2300939887	MKSNNZBAZHMXAI-UHFFFAOYSA-N	222.331	4.862	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](O)CCC1CCCCC1	2301832956	OKFORLFRCPWMLK-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@]1(O)CCCCCC1(C)C	2301868521	DOIXISDPMMDEJI-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CCCCC1CC1	2302579750	MGVQPERUTAUAKS-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CN[C@H](CCC[C@H]1C[C@H]1C)CCCC(C)(C)C	2302608750	BDUZTPWZSPJBER-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@@H]1CCC(C)=C(C)C1)c1cccs1	2303459311	QBYMNJAOBYLLQV-KGLIPLIRSA-N	249.423	4.678	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C(C)(C)C(C)C)CC1	2303582861	IAAIWDLOYZGOPR-AWEZNQCLSA-N	236.399	4.764	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CC(=O)C[C@@H](C)C2)CC1	2303600680	LELIBAIOSUIFKD-GLQYFDAESA-N	234.383	4.518	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H](CC2CC2)C2CC2)c1	2303792892	UABIKAVMIIPQPA-CQSZACIVSA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1CC[C@@H](CC[C@@H]2CCC(C)(C)C2)CC1=O	2304425719	OGEAPZDNBVTURE-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)CCC2(C)CC2)C1	2304438791	FGMUOHHYICBHFK-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCCCC12CC2	2307834683	KSWAIWGWMPPOLZ-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1(CC2CCC2)CC1	2307896789	XNXTVBNQLWEPQR-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CC1(C)CCCC1)NC	2307906260	CXSHBISUUSYTRF-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2CC[C@@H]3C[C@H]23)cc1	2310923225	IMLHDYXOFZAIQH-CRNXPOROSA-N	244.378	4.625	0	10	BJAE	
CC1CCC(CC(N)(CC2CC2)CC2CC2)CC1	2315448653	DMJNQPIAVCVKPK-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@@H](C)C1CC=CC1)CCCC(C)C	2316492509	TZYDGQMLQZHDTR-INIZCTEOSA-N	249.442	4.703	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@H]1[C@H]2CCCCC[C@H]21	2316501232	FZQCSYUPARAEPP-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H]1C[C@H]1C1CCC1	2316510494	MROZBACVDSJMAD-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC(=CCC(=O)C1C[C@H]2C[C@@H]2C1)CCCC(C)C	2316534727	CKEQAFGZNQWJMG-HUUCEWRRSA-N	248.410	4.764	0	10	BJAE	
O=C1[C@H]2CCCC[C@H]2C[C@H]1CC1CCCCCC1	2317007412	NJCXAOSGKLGVCW-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
CNC[C@]1(CCCC2=CCCCC2)CC[C@H](C)C1	2318593678	XHVDHXGXKFMPEL-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC[C@H]2C[C@H]21)C1CCCCCC1	2319251739	HHFVCVBQPOPHFW-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCCC1(CC(=O)C[C@H]2CC[C@H]2C2CC2)CCC1	2319500016	KLPRHBSILVTNIQ-ZBFHGGJFSA-N	248.410	4.742	0	10	BJAE	
CNC[C@@]1(C[C@@H]2CCC[C@H]2C)CCC(C)=C(C)C1	2320389783	DNISSUYPJSNDAA-PVAVHDDUSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)CC1(C)CC1	2320393549	GSXKCEMRGFLNKQ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](O)c1cc(C)ccc1C(C)C	2327676685	BDKJZUVDDKLVJS-CKEIUWERSA-N	246.394	4.588	0	10	BJAE	
Clc1ccc(Nc2cccc(Cl)c2)cc1	2018597	WLXUZUUNMIBZSY-UHFFFAOYSA-N	238.117	4.737	0	10	BJAE	
Cc1ccc2oc(C)c(-c3ccccc3)c2c1	6521499	QVUTUWQJUFAOJB-UHFFFAOYSA-N	222.287	4.717	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2ccc(C)c(C)c2)cc1	19980024	QURVZSFKDKRSPD-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCCC[C@H](NCCC)c1ccc(CC)s1	35573487	QPSLVXMMXQSKTR-ZDUSSCGKSA-N	239.428	4.541	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)CCC(C)C)cc1	36940775	NUDKASQOMVSIOL-CYBMUJFWSA-N	232.367	4.819	0	10	BJAE	
CCC[C@H](C)Nc1ccccc1C(C)(C)C	36956560	XGJOGICLUATVMR-LBPRGKRZSA-N	219.372	4.585	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@H](C)CC(C)(C)C)c1	37353535	VJPCDXHBSGBRKU-ZDUSSCGKSA-N	246.394	4.949	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](c1cccs1)C(C)C	50402114	FSOGWGKQPAITJF-TZMCWYRMSA-N	239.428	4.614	0	10	BJAE	
CCCC[C@H](N[C@@H](C)CC1CC1)c1ccccc1	70101382	OKFKINKHYPPYFA-YOEHRIQHSA-N	245.410	4.696	0	10	BJAE	
CCCCCCN[C@H](CCC)c1cccs1	71105524	ZMAZPXRTIJEKKG-CYBMUJFWSA-N	239.428	4.759	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2ccc(F)c(C)c2)C1	71154606	YSKCUMOZZILWNQ-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
Cc1ccc(C)c(NC2CCC(C)(C)CC2)c1	75168183	PBFSSRXGCGERBW-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
CCCCCC[C@@]1(N)CCC[C@@H](CC)CC1	83435201	WOINOZYPBHWJCD-HUUCEWRRSA-N	225.420	4.645	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H](C)c2ccccc2C)C1	83639696	OHDDGNFIHLHQHN-JYJNAYRXSA-N	245.410	4.614	0	10	BJAE	
CCC1CCC([C@@H](N)c2cc(C)ccc2C)CC1	87934461	NLZICYNCFHWKGC-VMBOVVBDSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC(=C2SCCCS2)CC1	90373448	BWQIZYILUOHQDF-UHFFFAOYSA-N	228.426	4.668	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@@H]1CCCCC1(C)C	94279880	IQXYJIYHFKAEMF-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
Clc1cncc(-c2ccc3ccccc3c2)c1	96675363	PSKQSAGJZQJLNG-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CCCCCC[C@@]1(CNC2CC2)C[C@H]2CC[C@@H]1C2	110197036	ZSHZVCURNDCIQT-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)CC1(CNCC(C)C)CCCC1	110202047	VIXSHHJRUSYONE-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
N[C@@H](CC1CCCC1)c1ccccc1C1CCC1	132642938	SIMVFNXGTFWDGC-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CCc1cccc([C@H](O)C[C@H](C)CC(C)(C)C)c1	132897964	IPJBCMREJWCDLJ-XJKSGUPXSA-N	248.410	4.745	0	10	BJAE	
C=CC[C@H](CCCCCCCCCC)C(=O)O	146418892	QGZQBIKBSZXZEX-CQSZACIVSA-N	240.387	4.794	0	10	BJAE	
C[C@H]1C[C@H](N[C@H](C)c2ccccc2)CC(C)(C)C1	159807121	WIVXLGBRRYXYGB-LZWOXQAQSA-N	245.410	4.552	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H](c1ccccc1)[C@@H](C)CC	165097673	MZQBDNUSSBNWNL-GRDNDAEWSA-N	246.394	4.822	0	10	BJAE	
CCCCC(=O)[C@@H]1CCCC[C@H]1CCCC	196679731	FMZCHUZUNHOQHI-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@@H](CCC(C)(C)C)C1	218718283	QMXNIFSDABNIQO-QLFBSQMISA-N	239.447	4.604	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)c2c(C)cccc2C)C1	300464357	LJSDXFKESOJJJY-INMHGKMJSA-N	245.410	4.520	0	10	BJAE	
CCc1ccc(CC)c([C@@H](N)CCC(C)(C)C)c1	302407624	RJHPFTDNHHDRKM-INIZCTEOSA-N	247.426	4.638	0	10	BJAE	
CC[C@@H]1CCC[C@@H](n2ccc3ccccc32)C1	304973589	YWJVBIHSLDIZIB-UKRRQHHQSA-N	227.351	4.783	0	10	BJAE	
CC1(C)CCCC[C@]1(O)CCC1CCCCC1	305896028	IVKLWPHDRDJXBG-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CSc1cc2scc(C)c2cc1Cl	306741300	UNXBAVSUEONBPR-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCCC[C@H](CC)NCC(C)(C)C1=CCCC1	308755550	KYFBYVVHTIZIEU-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
Cc1cccc2c1ccn2C[C@H]1CCC[C@@H](C)C1	310813425	ANXOSLHISYSPSP-HIFRSBDPSA-N	241.378	4.776	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)c1ccccc1CC	310880052	VOGQPRWCNANYHC-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC(C)(C)C)CC[C@@H](C)C1	318037857	QNCHPHZQDOTFDQ-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@](CNC2CC2)(C2CCCCCC2)C1	318219426	VBCJZWZHNPDWRU-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
C[C@@H](/C=C(/CN)C1CCCCC1)C1CCCCC1	381039606	VPUXSZZPTUJNBI-VMOJBDSFSA-N	249.442	4.668	0	10	BJAE	
Cc1ccc(N[C@@H]2CC3CCC2CC3)c(Cl)c1	381940343	VUVZQUUIEMZFTI-KOHJWAIASA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@](C)(O)CCC(C)(C)C)C1	383569313	JTCWASPMTSSKKD-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CC(=O)c1cccc(SCC2(C)CCCC2)c1	383589012	NKXKMVLNJBPKBW-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)C1CCCCC1)C(C)C	384171850	WVBXZCOLNHFINY-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)CCC1=CCCCC1	384881779	UXLICINCFACVNR-AWEZNQCLSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1ccc2sccc2c1	386240301	OQABSNUWOWZZDO-CYBMUJFWSA-N	247.407	4.727	0	10	BJAE	
CCCCCC[C@@H](C)NCc1cc(C)cs1	393930998	KHIFVZQJVPAXDA-CYBMUJFWSA-N	239.428	4.505	0	10	BJAE	
CC(C)[C@]1(C)C[C@@H]1Nc1ccc2ccccc2c1	397231721	RJFQASXBNKAXPE-IRXDYDNUSA-N	239.362	4.686	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC)(C[C@H]2CC=CCC2)C1	402160676	RRZAPPZYALZSSM-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)CC(C)(C)C	402203221	JCMIEKFDHBQXAD-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)CNc1ccc2c(c1)CCCC2	404624279	BPUKVRNGNTUVNV-CQSZACIVSA-N	245.410	4.660	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CC(C)(C)C1CC1	405791714	QXMGTJYWFVUKHA-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CNCC1(CCCC2CCC2)CCCCCC1	688815974	FUZHETPFVRZOOB-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1cccc(C(C)(C)C)c1	691712480	OUKUTIFBZMPTLH-XEZPLFJOSA-N	248.410	4.700	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@]12CCCC[C@@H]1C2	693286916	DTKDTLFPHIRHSW-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CCCC3(CC3)C2)s1	695959767	VKSBPDFDWBLPHT-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)[C@H]1CCCC2(CC2)C1	696489918	GRYUPCQVQCXHKR-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@H]1CC1(C)C	696561616	OIKFXSSQKUFUSE-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	699051402	LYNYOYDMAWKERR-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](O)[C@]1(C)CC[C@@H](C)C1(C)C	699088833	JJHLMUZAHPYOSS-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](CC(C)(C)C(C)(F)F)NC	700292529	VUQUOXWXQPOAEL-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H](CC)C(C)(C)C	711106834	RNFWTMHOBYGMLO-UONOGXRCSA-N	227.436	4.747	0	10	BJAE	
CC[C@H](C[C@@H](N)C[C@@H](C)CC(C)C)C(C)(C)C	711110714	HMSYDVIYLDBWBX-ZNMIVQPWSA-N	241.463	4.848	0	10	BJAE	
CC[C@@H](C[C@@H](N)CCC1CCCC1)C(C)(C)C	711111146	IWNHCRUKUWOQCN-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCCCC1CCC([C@@H](N)CC(C)(C)C)CC1	713138792	GMANIJYTYWTVNK-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H]1CC[C@](C)(CC(C)(C)C(C)C)C1	713175643	RWSHOZPWNMVQJA-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNC)CC(C)(C)C(C)C	713221869	MPRZZGOCYJWBJO-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC(C)(C)CC)C1	713306513	CNXFOAUHWNXKSL-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C=C/C=C\CC[C@@H](NCC)C(CCC)CCC	713680254	AXSWYMDZKIZBAD-ZBTGYSDGSA-N	237.431	4.703	0	10	BJAE	
C=C/C=C\CCC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	713695957	PSHZOJWPVIEDBS-XURSXEJRSA-N	234.383	4.540	0	10	BJAE	
C=C/C=C/CC[C@]1(CNCCC)CC[C@H](CC)C1	713715895	FITZUOURYDYFHX-FNQZAJIHSA-N	249.442	4.705	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CC3CCC2CC3)C(=O)C1	717464992	NAQBXZKPQQGGST-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1C=CCCCCC1	718966424	OAQANLJVRVPTJY-JKSUJKDBSA-N	249.442	4.824	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](CC)CC1CCCCC1	720428635	ZHEBRQGVCFSCET-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CC1CCCCC1)C(=O)CC(C)C	720938737	AGPJXGGBXFRUCU-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC[C@]12CCC[C@@H]1C2	720991137	GLMXWIVGIDERQF-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(CC(=O)C(C2CCC2)C2CCC2)C1	723541796	DINFSWVYGNZMHG-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(N[C@H]2CCCC3(CC3)C2)ccc1F	723562643	BGPTWEKMEMKJEJ-AWEZNQCLSA-N	247.357	4.523	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CC1CC(C)(C)C1	723596788	FLQZAZCXPDHWRT-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CNC[C@@H]1CCC=CCCC1	1179763100	FJWVIBPCZGDYLP-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCN(C1CC1)[C@H]1CCCC[C@H]1C1CCCCC1	1652619795	DMMNBOLEABLFCD-IRXDYDNUSA-N	249.442	4.610	0	10	BJAE	
CCCCCCN(Cc1ccccc1)CC(C)C	1653243089	WXIPOKHPVDNCGP-UHFFFAOYSA-N	247.426	4.725	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](C)N[C@@H](C)CCC1CC1	1664419001	DBLZFPAWSPCHPL-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CC(C)(F)[C@](C)(F)CC[C@H]1C=CCCCC1	1905309818	QGEGJBNTJCNKBW-GXTWGEPZSA-N	230.342	4.989	0	10	BJAE	
CNCC(=CC1(C(C)C)CCC1)C1CCCCC1	1912044832	KUMYRQPSFDHDOI-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCc1cccc(NC2CC3(CCCCC3)C2)c1	1912710100	UTXNLPJKKMUCHJ-UHFFFAOYSA-N	243.394	4.774	0	10	BJAE	
CC(C)CCCCC[C@H]1[C@@H](N)C[C@@H](C)C[C@H]1C	1916068900	ZPGLAFZPTSHXTK-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@]2(N)CCC3(CCCC3)C2)C1	1916440977	YBBVKYIDYIDKSK-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@]1(CNC(C)(C)C)C=CCCC1	1916569868	VDBHXEWFTANXTC-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CC[C@]1(CNC2CC2)C=CCCC1	1916614516	CRZPQFFBIWZGIE-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H]1C[C@@H]1c1ccccc1	1919973657	ITENKEADMCJQRJ-IKGGRYGDSA-N	246.394	4.512	0	10	BJAE	
CCCC[C@@](N)(CC)c1csc2ccccc12	1920149983	YIGAEKKMEIHMOV-HNNXBMFYSA-N	247.407	4.656	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)C1CC(CC)C1	1921269962	BCXAVHSRSOVZRW-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1C[C@@H]1C=CCCCC1	1925815068	SDQUOAFIKGXIIT-CQSZACIVSA-N	214.352	4.538	0	10	BJAE	
CCC(CC)C[C@H](N)Cc1ccc(C(C)C)cc1	1926382264	GIEHVZKJCQPYGQ-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
CC[C@@H](CC[C@@H]1C=CCC1)CC(F)(F)F	1932591955	FBHJJLDMIRXBLJ-WDEREUQCSA-N	220.278	4.711	0	10	BJAE	
CC[C@@H](CC[C@H]1C=CCCC1)CC(F)F	1932599503	UZDMTAWBWFWFFI-RYUDHWBXSA-N	216.315	4.804	0	10	BJAE	
CCC[C@H](C(=O)CCCC1CCC1)C(C)C	1936211556	YUWHUQMMNXNFLK-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC2(C)CCCCC2)C1	1940410918	ULOPXGFAJRUIQY-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)CC[C@H]1CC1(C)C	1940865471	YDZLEDLQJFZIMG-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)NCCC[C@@H]1CC1(C)C	1940877549	RIHQFFLOTAXHPP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](CCCC1(C)CC1)NC	1940880573	BBTHHZRTUOMDRD-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](C)C1CCC(N)CC1	1940965300	HGDFXEIFXUYAPF-FHERZECASA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CC(C)(C)C(C)C)NC	1941268180	BTZNKELVGIEUQJ-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NC)C1=CCCCCC1	1941271576	FELVHPGAYQACKL-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@H](CC)C(C)C	1941272494	KVXJEFKZJGFOQN-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCc1ccsc1C(=O)CC1CCC=CCC1	1941791340	CMSRSJPYUOVIPA-UHFFFAOYSA-N	248.391	4.630	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](CNC(C)C)CC(C)C	1942658782	PWGXNTFOHQDTFG-JKSUJKDBSA-N	241.463	4.719	0	10	BJAE	
Cc1nc2c(C3(C)CC3)cccc2c(Cl)c1C	1944603046	YOOSQAOIVJUSRO-UHFFFAOYSA-N	245.753	4.557	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C(C)(C)C1CCCCC1	1944647199	UCFYKNPDOMJKTJ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@@H](O)C[C@@H]1CCC[C@H]1C)C(C)(C)C	1944850999	ZFNNHBPOMLXHOA-BARDWOONSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCCC12CCC2	1947879353	BTATWVWIEGPQJW-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CC[C@H](NC1CCCCCCCCC1)C(C)C	1947881105	KTYUGNGWEBEGHW-INIZCTEOSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](CC[C@H]1CC=CCC1)NCCC	1948429274	PPKIXBLCEYWSLT-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1CC(C)=C[C@@H](C)C1	1949008510	CTKZLMUSIDYAJS-YUELXQCFSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C[C@H](C)C(C)(C)C	1949046552	GLEKLOZQIIAWLB-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C1(C)CCCCCC1	1949051244	MHLWHCNGAIHVEO-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(F)(F)CCC1(N)CCCCCCCCC1	1949154810	IRVHRAAAUVLVTH-UHFFFAOYSA-N	247.373	4.644	0	10	BJAE	
CCCCCC[C@@H](N)[C@H]1CCC2(CCCC2)C1	1949531319	OZZNAHXEJKOXBH-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)CN(C)CCCC(C)C	1963228443	GZTNSCPMOLGBSF-HNNXBMFYSA-N	227.436	4.571	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cc(F)cc(Cl)c1	1968609845	MWMQDBBCIUWGDS-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
CC(C)C[C@H](C)CN(C)[C@H]1CCCCC1(C)C	1970180768	JIXBYKRMDTWYNQ-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1CCC[C@H](C)C1	1976007335	GAAVAUAPALAJKF-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
Cc1cscc1N[C@@H]1CCCC2(CCC2)C1	1976292631	VWWGOTZOIVAEPR-GFCCVEGCSA-N	235.396	4.581	0	10	BJAE	
CC(C)=C(C)CCc1snc2ccccc12	1976542123	OMZKMZBLEPRPCD-UHFFFAOYSA-N	231.364	4.585	0	10	BJAE	
CCC1(C)CC(O)(CCCCCC(C)C)C1	1984396845	FUEZIBFKUIWXHF-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CC(C)C(CCC(=O)[C@H](C)C(C)C)C(C)C	1988298047	UEPFMJKWKVVQLZ-CYBMUJFWSA-N	226.404	4.556	0	10	BJAE	
CCCCC[C@@H](CC)NCCCCC1CC1	1990090448	BQXQNYKQIZLUEN-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@@H](CC)NCc1ccsc1C	1990092139	VTLKDZFLEJTLFT-CQSZACIVSA-N	239.428	4.505	0	10	BJAE	
CCC(C)(C)CN(C)[C@@H](C)C1(C)CCCCC1	1995975791	RAEGPPKNDFWPEN-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNCCCC(C)C)CC1	1997213943	HLDNVGSEWCOJTN-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CCC1CC(C(C)(C)C)C1)NCC	1998234715	MAHMNPMCKCGZMV-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccsc1C(=O)C[C@H]1CCC=CCCC1	1999978186	AXVZPQWKDCFRFE-ZDUSSCGKSA-N	248.391	4.766	0	10	BJAE	
CCC(CC)C1(N)CCC2(CCCCC2)CC1	2000283854	VOTZSQVOMKAYDW-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CN[C@H]([C@H](C)CC(C)C)C1(C)CCCCCC1	2000318899	GEZFGDZDTSZBGV-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@](C)(CCC)C[C@H](C)C1CCC1	2000518019	JVARYDANIBOVEY-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCCN(CC(CC)CC)c1ccccc1	2000911937	UMDDYXBLBBTYRB-UHFFFAOYSA-N	233.399	4.729	0	10	BJAE	
C[C@H](C[C@H](N)[C@H]1CC[C@H](C)CC1)CC(C)(C)C	2003104668	XLTZDWZNIWNRTP-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCCC[C@]1(CO)CC1(C)CCCCC1	2005584178	UQPWJZSFYQZSPA-GOEBONIOSA-N	238.415	4.536	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC)C[C@H](CC=C(C)C)C1	2006630993	YPAKSNNPGKPOIC-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@@H](O)C1(C)CCC(C)(C)CC1	2007697901	QSIHADAFVZHFAZ-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@H](O)CC1CC(C2CCC2)C1	2007761312	QUQICKMLPZJIST-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCc1cccc(C)c1NC1CC(C)(CC)C1	2009297482	UITAMBXDDZDKDT-UHFFFAOYSA-N	231.383	4.548	0	10	BJAE	
CCC1CCC([C@](C)(N)CCC2(C)CC2)CC1	2009552254	OKAKNTKVSLTLGE-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@@]1(CO)CCCC(C)(C)CC1	2009594796	VTGCZZNSPVJNLE-MRXNPFEDSA-N	238.415	4.702	0	10	BJAE	
Cc1cccc(NCC2CC(=C3CC3)C2)c1Cl	2011082172	DRVZYXMDRMEEMT-UHFFFAOYSA-N	247.769	4.561	0	10	BJAE	
CC(C)(C)[C@@H](O)CCCC12CCC(CC1)CC2	2012820146	UCPRYIUQUOEHEY-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](N[C@@H](C)CCC=C(C)C)C1CCC1	2016144688	KPFHMQDCBWUHJX-HOCLYGCPSA-N	237.431	4.680	0	10	BJAE	
CC(C)C1(CC(=O)CCC2CCCC2)CCC1	2017126582	CRMQZYQVOWDNSO-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](C)[C@@H](CC1(C(C)C)CCC1)NCC	2017140100	CXSYBKDDEBQHCX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1CC[C@H](C)CC1	2017650987	OEDYWJIXGSPJEG-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@H](C)CC(C)C)CC1	2017722229	FCBUSRBISVBEBP-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1CC2(CCC2)C1	2018131632	PFWPIGODWIPUCI-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
Cc1cc(C(=O)C[C@]23CCCC[C@@H]2C3)c(C)s1	2018627480	BERKPESZAXSSEK-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@]12CCCC[C@@H]1C2	2018633267	VBTWUUKBZQQTEK-IIAWOOMASA-N	236.399	4.598	0	10	BJAE	
CCCC1(CC2(CNC(C)(C)C)CCC2)CC1	2018985766	SWJITUQQPAZSOS-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1(CCC)CC1)NC	2019000236	PGDQYYLZCCRIGW-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC=C(CC)[C@@H](O)C1CCC(CCCC)CC1	2020967881	KFDNMOVCDSXERH-AVVWSFFYSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H]1C[C@H]1C(C)(C)C	2022560672	QKLJWTXKZNWLSM-DSJMHWKBSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](CC=C2CCC2)C1	2023204507	KULYODFZPOFIEE-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@](C)(CC=C1CCC1)CNCCC	2023260992	XRGPKNMEZGKQME-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CN(CC1CC(C)(C)CC(C)(C)C1)C(C)(C)C	2024107608	LDXNGGYAQQOEHB-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@H]1CCCC(C)(C)C1	2024116693	IMGKBMJHSZQEBF-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1[C@@H](C)CCC[C@@H]1NC	2024517985	LGTWOZQHGPTJGU-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(O)CC(C)(C)C1(C)C	2025018007	KWEICSXSEZPAFD-BLLLJJGKSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@@]2(C)CC=CCC2)n1	2026530132	XVXWGTWIMWBVDM-DOMZBBRYSA-N	249.423	4.730	0	10	BJAE	
c1sc(C2(CC3CC3)CC2)nc1C1CCCC1	2026604064	WWDJECJHKAOAOZ-UHFFFAOYSA-N	247.407	4.632	0	10	BJAE	
C[C@@H](c1ccc(F)cc1)N(C)C1CCCCCC1	2026874394	RYWDNTVLLZGYQG-ZDUSSCGKSA-N	249.373	4.541	0	10	BJAE	
CCc1ccccc1[C@H](O)[C@@H](CC(C)C)C(C)C	2028234613	IAORIBPMHSTCLR-IRXDYDNUSA-N	248.410	4.601	0	10	BJAE	
CCN[C@@H](CCC(C)C)c1ccccc1C1CC1	2028549082	JWEZJPNMTVFEBJ-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](F)c1cccc2c1NCC2	2029834742	AAPXHILFRWOOCR-SWLSCSKDSA-N	249.373	4.738	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(O)[C@H](C)CCC(C)C)c1	2029835116	CYOTZSUWMANQMO-WBVHZDCISA-N	248.410	4.583	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)c1ccc(C)cc1C	2029965623	AIHICRQOMNVJQM-BBRMVZONSA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@]2(N)CC(C)(C)CC3(CC3)C2)C1	2030280571	YIWUPYDCGOEGJO-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@H](NC)C(C)(C)C(C)C)cc1	2032345614	FRSNBNGXSQIBHO-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
C1CCC(CCN[C@@H]2CC[C@H]3CCC[C@H]3C2)CC1	2033068517	LRYHMSMQTSBGEO-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@]1(N)C[C@@H]2CCCC[C@@H]2C1	2034162205	RTLIJLGKAPZBKW-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC2(CCCC2)C1)[C@@H]1C[C@@H]1C	2034363530	NJRMVWDJWYEWLG-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](C[C@@H]2C=CCCC2)NC)CC1	2035576148	MYTZLVSABQFKNF-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2C=CCCC2)CC[C@H](C)C1	2035603982	XWGITJBUDKEGMR-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
Cc1ccccc1C1(O)CCCCCCCCC1	2035890085	XGDMFTQSTOSYEF-UHFFFAOYSA-N	246.394	4.707	0	10	BJAE	
CC1(CCCN[C@@H]2C[C@H]3CCCC[C@]3(C)C2)CC1	2036666160	PZDLWCDIPORMAG-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@@H]2CCC3(CCCC3)C2)C(=O)C1	2037682233	LAYUFQAPFWNYGT-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@@H]1CC12CCCC2)C1CCCCC1	2039077984	DMQRXBYVOQRKIH-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](CNc2cccc3ccccc23)C1	2040120854	QNUVGIZEOHRCAO-ZIAGYGMSSA-N	239.362	4.688	0	10	BJAE	
C[C@@H]1C[C@H]2CCCC[C@@H]2N(C2CCCCCC2)C1	2041888704	YTQBMPCKXXESTN-INMHGKMJSA-N	249.442	4.610	0	10	BJAE	
CCN[C@@H](CCC[C@H]1CC1(C)C)C1(C)CC=CC1	2042021057	DEZRQMMKLQIUFN-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC1CC([C@@H](C)N[C@@H]2CCCC23CCCCC3)C1	2043540869	OINFEZYRSVUDKA-GYTBAZASSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@@H]1CC[C@@H]1C[C@H]1CCC=CCCC1	2045329977	SHKBASFIJKGUBE-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1[C@H]2CCCC[C@H]21	2045570634	HVNYCZHDNJABSL-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(NC[C@@H]2C[C@@H]3C[C@@H]3C2)CCCC1	2045614176	OYWCVBOGZDXUIK-PHZGNYQRSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCCCC1)CC1[C@H]2CCCCC[C@H]12	2048470636	UDYRPWKWZBVNIA-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
C[C@H](N[C@@H]1C=CCCCC1)[C@@H]1CCCC(C)(C)C1	2049532473	LCFTVSBGKWWXLS-ARFHVFGLSA-N	249.442	4.680	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)[C@@H]2CCC[C@H](C)C2)c1	2049536489	LXCXIPLZJRFYGC-APHBMKBZSA-N	245.410	4.930	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)C[C@@H]2C=CCCC2)C1	2049541867	ZJIBWLNRTORUAE-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
O=C(CC1CCCCC1)CC1CCC2(CC1)CC2	2049952031	TZIWVTLVBRPDBW-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2051406239	VFOORELLXJODHV-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@@H](N2CCCC3(CCCCC3)CC2)C1	2051603866	DIGNRWIVBURCEP-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)C2CC=CC2)CC1	2053691583	LDSAKGZRSAYINJ-KOMQPUFPSA-N	248.410	4.908	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)Nc1cnccc1C(C)C	2053856133	JMZCALNMRGRDEO-ZIAGYGMSSA-N	248.414	4.688	0	10	BJAE	
CC(C)CC[C@@H](N[C@H]1C=CCCC1(C)C)C1CC1	2055533989	YFTFHPDJNMAIIL-CVEARBPZSA-N	249.442	4.536	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@@H]2C=CCCC2(C)C)C1	2055536953	RACBZFOFTRGABO-LVQVYYBASA-N	249.442	4.536	0	10	BJAE	
CCC[C@H](N[C@@H]1C=CCCC1(C)C)[C@@H]1CC1(C)C	2055539305	CFBLUGASHBYKQJ-SOUVJXGZSA-N	249.442	4.536	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1C=CCCC1(C)C	2055541741	KIXRGENOVQSDLL-OWCLPIDISA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCCCCCN1C[C@@H]1CCC=CCCC1	2057104088	WVMIANHNNNMZIL-IAGOWNOFSA-N	249.442	4.778	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1ccc(F)cc1C	2059225316	LTUMXZXRDOQXQH-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC[C@@](N)(C1=CC[C@H](C(C)(C)C)CC1)C1CCC1	2061114221	WNLRKMNCBFKNQM-GUYCJALGSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@H](N)C1CCC(CCCCC)CC1	2061565785	GGSZMRYBBMSNFI-JCYILVPMSA-N	249.442	4.822	0	10	BJAE	
CC1(C)CCC(C(=O)CC[C@@]23CCC[C@@H]2C3)CC1	2061604850	CEKHWXWXFLHPCK-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC1CC(=C2CCC2)C1)[C@H](C)CC	2061725002	AEZQLIXYHOXDMA-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC2(CC([C@@](C)(N)CC3CCCC3)C2)C1	2063804842	VRDFCHAISRNQFO-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2CCC=CCCC2)CCCC1	2067501709	AERBYGNLQXLDKW-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC1CCC(C)(C(=O)CC2C[C@@H]3CC[C@H]3C2)CC1	2068706073	WNTSXVOYFQNMTG-MTKIKNGMSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CC(=O)c2cc(C)cc(C)c2)CCC1	2069281993	FHJUJOCYQBDFKN-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@@]23CCC[C@H]2C3)cc1	2070789361	KMMRTUXYPDIXAY-YOEHRIQHSA-N	243.394	4.586	0	10	BJAE	
CC(C)(C(=O)C[C@]12CCC[C@@H]1C2)C1CCCCC1	2070959683	RDOJJJQVQIKSFB-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)C[C@@H]1C[C@H]1C	2071502935	DIWGJGKRRHZNMZ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C[C@H](C)[C@@H](O)c2ccccc2)CCC1	2071908472	NTPRMODSVOQRDA-GOEBONIOSA-N	246.394	4.573	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCC1)C1(C(C)(C)C)CCC1	2071924598	SUDKWURRKLXXTB-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(Cn2ccc3c(F)cccc32)CCC1	2071925752	ILJKHLCDOQTCJP-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)C1=CC[C@H](C)CC1	2072090081	GVKDXPRKHZRDRE-XOSAIJSUSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CN1CCC[C@@H]1C1CCCCCC1	2072412009	XAMILQVHYGMQIM-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CCC[C@](C)(NCC[C@@]23CCC[C@@H]2C3)C1	2072598523	OMZWCZRORIKNAR-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)[C@]2(C)C=CCC2)CC1	2072795018	ZUPSJMJLRJUUML-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC2(C3(C)CC3)CC2)CC1	2072795160	BAEPXPHSFLMZPS-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H]2CCNC3(CCCC3)C2)C1	2074138855	NAVAERRAGWENGB-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@]1(C)C=CCCC1	2074642769	YDDWEUUDZYRUGG-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC[C@]3(C)CCC[C@H]23)C1	2074890716	BSTNUNYKTQGENW-QZWWFDLISA-N	249.442	4.610	0	10	BJAE	
CCC[C@H]1CC[C@H](CN2CCCC23CCC3)CC1	2075340362	CPLGHBQWSBLPMC-WKILWMFISA-N	249.442	4.611	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CCCCC23CC3)c1	2077265488	UUERRYOEONROCK-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
CCCCCc1ccc(C(=O)CC2CC(C)C2)o1	2077975421	IVVBWHQDKGWMPC-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)C[C@H]2CC[C@H]1C21CC1	2078341356	YHMVDHKHZGMENU-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)n1C[C@@H]1C[C@@H]1C1CCCCCC1	2079481829	XMJCXWDSKJGRHX-DLBZAZTESA-N	245.410	4.711	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@H]2C[C@@H]2C(C)C)cc1	2079850471	FPSUEIHIZUMIEB-HZPDHXFCSA-N	244.378	4.675	0	10	BJAE	
CC[C@@H]1C[C@@H]1C(=O)C[C@@H]1C[C@@H]1C1CCCCCC1	2079851273	KHMQOHHXCJCFSC-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C=C1CCC1)C1(C)CCCCCCC1	2080222634	XTPAQDVZANXWSP-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC1=C(C)[C@H](N)[C@@H](C[C@H]2CCCC(C)(C)C2)CC1	2082984190	YTRFAOPKVKQDSC-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc2cc(C(=O)[C@H](C)CC(C)C)oc2c1	2084096237	DTDPWMGKQABWEP-GFCCVEGCSA-N	244.334	4.606	0	10	BJAE	
CC[C@H]1C[C@@H]2CC[C@H](C1)N2[C@H]1C=CCCCCC1	2084511374	PFZWPOUQENBQFP-LUKYLMHMSA-N	247.426	4.528	0	10	BJAE	
C[C@H](C[C@]1(N)C[C@H]2CCC[C@H]1C2)C1CCCCC1	2086165342	OHCRPPZJMQIQQH-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
CC[C@](O)(CCCCCCC1CC1)C(C)C	2210528064	ZQRGQBYPKNRGRN-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@](C)(CCC)CN[C@H](C)CC	2212593926	XPMBAQNCJMIDDA-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)CCCCCCC2CC2)C1	2213580947	QPTJNENIJOTJOI-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@H]1CC[C@@H]1C	2214936348	WMRALTPSISNMBU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(CC)(CC)CNC(C)C	2215265963	NFGNIAPZIBGSDI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C[C@@H](CC)C(C)(C)C	2215345296	IOEWPNYSMABIGU-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)CC1(C)CC(C)(C)C1	2215439757	KLOBJAVAELDPEU-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CC(C)(C)C)C=CCCC1	2217126209	SYJAFZMOROIQBP-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@@H](C)[C@H](C)CC	2217127934	JCETYIMPAWGEIX-ILXRZTDVSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CCCCC(F)F)CN[C@@H](C)CC	2217145324	OLGUNIBNXIDSNY-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218352226	VWFFJLRDJSWWGP-FSDCSDTHSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@]1(N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218361782	QKLFDLQRESUBTR-JZAWBGDQSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C/C=C/c1ccccc1)CCC(C)C	2219082456	SAYDLGJAZUPJJR-YRYLYKBFSA-N	245.410	4.504	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC3(CC3)NC2)CC1	2220210074	VEQIMCVMKCHBSE-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H]1C(=O)c1ccc(C2CCCC2)cc1	2220540772	OIBPXGXIJHJLIF-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CN[C@H](CCCCC1CC1)C1(C)CC2(CCC2)C1	2221002993	LSFVXKIOBNXMBL-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@]1(C)CC=C(C)CC1	2221642746	IWCKJNHWCLCNKG-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)C[C@@H](CN[C@H](C)CC)c1ccccc1	2223550249	WBSMVHIKRJZMJI-UXLLHSPISA-N	247.426	4.595	0	10	BJAE	
CCCN(CC)CC[C@@H](C)CCCC(C)C	2244868551	POYUWZLZOKXXRB-HNNXBMFYSA-N	227.436	4.571	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@](C)(N)C2CCCC2)C1	2246669665	UFOVIWFEHSUGEF-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](O)(CC[C@H]1CCC[C@@H](C)C1)C1CC1	2246689141	GBGWYKWUNGGCMQ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
NC1(CC2=CCCCC2)CCCCCCCC1	2247492570	HZZAVFFJKIVTQG-UHFFFAOYSA-N	235.415	4.709	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CCCCC[C@@H]1C[C@@H]1C	2248870579	MMFBPWFLKZQTIE-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@H](C)C1CCCCC1	2250361805	PZDMETSLLYLUHC-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC(NCC2CC3(CCCC3)C2)CC1	2254074310	XZXCOLSZDYMMSQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2CCC23CCC3)CC1	2255030227	XXQMMBWFPLBFLA-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)C[C@@H]2CCC[C@@H]2C1	2257317668	YWVKCZNGJHIQJE-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H]2[C@H]3CCC[C@@H]2C[C@H](N)C3)CCCCC1	2258032113	HHTXZSRQKPKZHY-SYMSYNOKSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(NCC2CCC=CCC2)cc(C)c1C	2258239686	BVRQJUQFIFYFBO-UHFFFAOYSA-N	243.394	4.770	0	10	BJAE	
C1CCCCN(C[C@]23CCCC[C@@H]2CC3)CCC1	2260566713	ODNBPKIELIHHPW-IAGOWNOFSA-N	249.442	4.613	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(C[C@]23CCCC[C@H]2CC3)C1	2260652837	URUBDAHIZHOJGE-YYIAUSFCSA-N	249.442	4.502	0	10	BJAE	
CC1=CC[C@](N)(CC2CC(CC(C)(C)C)C2)CC1	2261295767	MRWONWGFNKSJOF-VMBOVVBDSA-N	249.442	4.667	0	10	BJAE	
CC(=CC[C@H]1CCC(=O)[C@@H]1C)CCCC(C)C	2300865882	SUBDJZVWWLMCBM-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
CCCCc1ccc(O)c(CC=C(C)CC)c1	2300898343	CQOGBLUHTDMTGP-UHFFFAOYSA-N	232.367	4.634	0	10	BJAE	
CC(=CC[C@@H](O)CCC(C)C)CCCC(C)C	2300933979	IAQQUWZTBUBSEZ-INIZCTEOSA-N	240.431	4.946	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1CCCCCC1)NC	2301236286	LJJOATHVMNLNGS-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@H](C)[C@H](C)C(C)C	2301824558	DVRBRLGGYBOREW-KLHDSHLOSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC[C@@](C)(O)[C@H](C)C(C)C)C(C)C	2301919407	ORWZPUKTRCEZKE-GDBMZVCRSA-N	242.447	4.738	0	10	BJAE	
CC=CCCC[C@H](CCC[C@H]1C[C@@H]1C)NCC	2302611183	BLDCBDOJYNVTMD-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(O)CCCCC2(C)C)C1	2302720772	HKAOBKDTWWNIMY-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCNCC[C@@H]1CCC(C)(C)C1	2304362608	WVIWOGDXAZJYQR-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
C[C@@]12CC[C@@H](NC3CCCCCCCCC3)[C@@H]1C2	2310551089	XBGWPTOQXBUXPK-BBWFWOEESA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC1CCC1)C1(C)CC=CC1	2313579752	FHQVFCBTWWSGAM-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C1(C)CCC2(CC2)CC1	2313623170	SBIVDAFIENUGDB-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCc1cc([C@@H](N)C[C@H](C)C(C)(C)C)ccc1C	2314701617	DRSKHVGFVAMNCZ-BBRMVZONSA-N	247.426	4.630	0	10	BJAE	
CC(=CCNCC(C)(C)C1CCCCC1)C1CC1	2315278969	RRVFHOPZXLCAMD-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC(=CCC(=O)[C@@]12CCC[C@@H]1C2)CCCC(C)C	2316511792	WNPJJIGXFKVENJ-NVXWUHKLSA-N	248.410	4.908	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Oc1cccc2c1CCCC2	2317832271	UHLCTMMBRQCLMC-UONOGXRCSA-N	246.394	4.625	0	10	BJAE	
C[C@@H](CC1CCCC1)NCCCC1=CCCCC1	2318520768	AFZULHSIFWKFBH-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@]12CCC[C@@H]1CC2	2318580543	ZHQPTRTZWKDWGH-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@H]1CC[C@H]1CCCC1=CCCCC1	2318593227	RKLZIWHQYPNYOG-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CCCC[C@@H]2C[C@H]21	2319232755	BGYHONOXEMRIGW-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CC[C@H]2C(C)(C)C)cc1	2320258172	KNUACSKZIAUDKW-HUUCEWRRSA-N	244.378	4.640	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)c2cccc(C)c2)CC1	2320341179	RHQQEOXSRVGNCL-WBVHZDCISA-N	243.394	4.521	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)C2CCC(C)CC2)CC1	2320342091	ZKEKCPINAGEVIF-FPLFOGFYSA-N	249.442	4.667	0	10	BJAE	
CCCCCc1ccc(C(=O)C[C@H]2C[C@H]2CC)o1	2320363925	LUQBEWKBNVXSCN-CHWSQXEVSA-N	248.366	4.631	0	10	BJAE	
CCC1(NC[C@H]2CCC(C)=C(C)C2)CCCCC1	2320410735	GMIQGEWUWBTYQD-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C[C@H](C)C2CCC2)c1	2320517608	QSNKZMJQAVUOLG-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H](CC1CC1)C1CC1	2320817346	UQNQUTDKDUVIHR-BMFZPTHFSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCC[C@H](C)CC2)c1	2321082669	KUXUOCFELFCFQB-SWLSCSKDSA-N	249.373	4.769	0	10	BJAE	
CCCCc1ccc(-c2nc(C(C)C)c[nH]2)cc1	2321488758	ZEGCPTRXTXAKPX-UHFFFAOYSA-N	242.366	4.543	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)CC[C@H]2C[C@@H]2C)c1	2327780569	CVHCLAFSNNPZED-KBPBESRZSA-N	244.378	4.737	0	10	BJAE	
CCC[C@H](CC)C[C@H]1Nc2ccccc2C[C@@H]1C	2328267328	ADMUVJINQNXSFY-GRDNDAEWSA-N	245.410	4.876	0	10	BJAE	
CCC[C@@H](CC)C[C@](N)(CC)c1cccc(C)c1	2328296202	YHCLOFNDCNYLKM-NVXWUHKLSA-N	247.426	4.775	0	10	BJAE	
CC(C)CCCCCCNCC1CCCCC1	20007122	OKTJNONUUUENFC-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C[C@H](Nc1cccc(F)c1)c1ccccc1Cl	20011754	AFJXPNKHGYBMER-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CC[C@@H](Nc1c(F)cccc1F)c1ccccc1	20476255	FONFOAGLZTUOPJ-CQSZACIVSA-N	247.288	4.528	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccccc1F	20520080	DLBSCVINMJUJBB-LBPRGKRZSA-N	223.335	4.597	0	10	BJAE	
Clc1ccccc1NC1CCCCCCC1	20555500	RTFJIGYNERJFHL-UHFFFAOYSA-N	237.774	4.865	0	10	BJAE	
CC(C)(C)c1ccc([C@H](N)CC2CCCC2)cc1	22150332	GBBYGXNQJJQDOP-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CC(C)(C)c1ccc(NC(C2CC2)C2CC2)cc1	36984049	WFDAMJUDNAURDC-UHFFFAOYSA-N	243.394	4.585	0	10	BJAE	
C[C@@H](Nc1ccc2[nH]ccc2c1)C1CCCCC1	37230539	LHMNISNPVLJQOV-GFCCVEGCSA-N	242.366	4.549	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1cccc(SC)c1	70977215	AJXHDWYMDVEUNX-SWLSCSKDSA-N	249.423	4.789	0	10	BJAE	
CCCCCCc1ccc(OC(C)C)cc1	79788334	APRSKPWDRMCTGN-UHFFFAOYSA-N	220.356	4.597	0	10	BJAE	
CCCC[C@@H](CC)CC(C)(C)C[C@@H](C)NC	82816738	DIGMSMKSHOLUIJ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@@H](C)CC)CC1	83520700	NNAFXUFWQFYDPT-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(c2ccc(C)cc2)CC1	86950869	SNNBFKMSPKKABZ-NVXWUHKLSA-N	246.394	4.563	0	10	BJAE	
CCCc1ccc([C@H](O)C2CCCCCC2)cc1	104040870	GYGPRGPVXZHXNE-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CCC[C@@H](C)C[C@H]1CCCCC[C@@H]1CNCC	155784400	TWZLWIYAKBEARF-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H]1C[C@H](C)CC[C@@H]1CNC(C)(C)C	155996445	CNZWYKHBZHTMQU-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(-c2cc(Cl)ccc2O)cc1C	156765905	ITXHCVBKOBDFCC-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
N[C@H](CC1CCCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	162760339	KXYIJDKEHSLTOT-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2ccc(C)cc2N)cc1	164295099	PPUHWCRJHPBHPX-CYBMUJFWSA-N	239.362	4.758	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)CC2CCCCC2)CC[C@H]1C	166087016	TWOBJSFORKEEFP-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2CCCCCC2)C1	166243466	XEZNGVSXAXTKJW-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)c1cc(C)ccc1C	166801565	OHMCZAPWKCICCS-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1ccc(CC(C)C)cc1	167231339	DXODDAGRYAFEMQ-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
N[C@@H](C1CCCCCCC1)C1CCCCCC1	167827385	CWBNZKNQANVSPV-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C(C)C)[C@@H]1CCC[C@@H](CC)CC1	220850234	NWVASWGLPKCJKW-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1CC[C@@H](C)C[C@@H]1C	221687120	UMMRRBVWWLPXOM-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
Cc1ccccc1N[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2	226968201	ORZZAWDYSXXOIN-LXZKKBNFSA-N	243.394	4.622	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)[C@H](C)C(C)C	302238458	BYVXVVJBDXNBTO-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H](CC)CC(C)C	308075980	VICOMJCRDAYUGV-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)NCC/C=C/C[C@@H](C)C1CCCCC1	310379635	BYGIMLRRLXDYAT-LLYBFZRZSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)CC2CCCCC2)C1	310408792	MCPZQFIAZVXOAP-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2(C)CCCC2)CC1	310542451	RJEWYKKEOPITBM-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cc2cccc(C)c2o1	310611061	BUVRQQLCWUXPPH-ABAIWWIYSA-N	245.366	4.567	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC(C)(C)C)CCC[C@H]1C	318258277	NFGGOTUIOLVTKQ-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CC1(CNC(C)(C)C)CCCCCC1	318822193	ZTYDCWTWSLCBTR-AATRIKPKSA-N	237.431	4.681	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)c1cc(C)cs1	379173174	DUXQGUHWDDUEBF-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
C[C@H](C[C@H]1CCCC[C@@H](N)C1)C1CCCCC1	383645022	HTOBORISASUQNC-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)NC[C@H](CC1(C)CCCC1)C(C)(C)C	384055811	XJHMJHWCHHKLKO-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)[C@H]1CC1(C)C	385173020	MLRDYYFXNHCRMQ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)CCN[C@H]1CCCC[C@@H]1C(C)(C)C	394405238	KRCAQSPAFBFHNU-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCc1sc2c(C(F)F)cccc2c1CC	396166364	HGEWHFGJUZOTMX-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1cc(F)c2scc(C(F)(F)F)c2c1	396295241	IPIAKTFRIWEHDJ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)c1cc(C)cc(C)c1	401253987	BJSPQCLHCHDSQQ-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC(C)NC[C@@H]1CCCC[C@@H]1C[C@@H]1CC=CCC1	402371158	SKZIMVHANHVHGH-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1CC1)c1cccc2ccccc12	405885646	WHLFXEZRWUNWLY-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
Clc1ccc(Cl)c(OCCCC2CC2)c1	405980141	ZLXNOAKXJWQLBN-UHFFFAOYSA-N	245.149	4.562	0	10	BJAE	
Cc1ccc(C)c2c(C3CCCCC3)c[nH]c12	527403804	YUZUISMOXMLNKJ-UHFFFAOYSA-N	227.351	4.832	0	10	BJAE	
CCCC1(/C=C(\CNCC)C2CCCCC2)CC1	687562626	VGIHJVYABYBXKV-DTQAZKPQSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)CCC(F)(F)CC1	688291661	NSYZJOFSZLCKBV-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H](CC(=O)CCC1CCCC1)CC(F)F	688822622	CICUIVVOVAXFGU-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
O=C(CCCC1CCC1)CCC1CCCCC1	688895578	QOLNOQJRUQSKJX-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCNCC1(CC2CCCCC2)CC2(CCC2)C1	691432075	YSXBZXNEGINVNO-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC12CCCC2	694324972	FDCYLZPIJCAAMG-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C)C(C)(C)CC	695146430	KUJNPTJPRALWIC-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC1(C)CCC[C@H](NC2CCC3(CC2)CC3)CC1	695690712	ORMRDCCRLJKBCS-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC(C)(C)CC)C1	697258143	HIZCHSMKPOCJES-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)CC2CCCC2)C1(C)C	699052957	PXFIUBZXZYDFFN-MLGOLLRUSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@@H]1CCCC[C@]1(C)O)C1CCCCC1	699659957	KCBGMNKLGUFVHC-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@H](O)C(CC)(CC)c1ccccc1	701095137	MORQMXRUIYKLTL-OAHLLOKOSA-N	248.410	4.542	0	10	BJAE	
CCN[C@H]([C@H]1CCCC1(C)C)C(C)(CC)CC	701253329	PGPFOHSBMSLRDC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@@H]1CCCC[C@@H]1C	704813364	AESZYTGCALFNNP-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(Cl)ccc1[C@@H](N)CC1=CCCCC1	708382256	IDHJSUXEPANMJB-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CCCC(O)(CCC)C[C@@H](C)CC(C)(C)C	709248370	NXZPDURIANIQKJ-ZDUSSCGKSA-N	228.420	4.780	0	10	BJAE	
CN[C@H](CC1CCCCC1)C12CCC(CC1)CC2	710045604	APNGRSVMYUZJSM-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC(=O)C1CCCCC1)C(C)(C)C	711173931	BNCHTTHXPRKIJH-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H](CC)CC(C)C	713173070	CXBOSCWUNVVIEE-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(N)CCCC12CCCC2	713176692	VZIGYVKZOKZSJQ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	713180862	BSMQDNJKZLVBLI-MJBXVCDLSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(C)cc([C@H](C)NCCCCC2CC2)c1	716398905	QXQSKEPBZZANEH-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CCC(C)=C(C)C	718638347	WTEUAJCXISCFKQ-HZPDHXFCSA-N	240.431	4.946	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C1CCC1)C(C)(CC)CC	721675476	PRDLBDWMQFYJRP-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@H]1CC12CC2)C1CCCCCCC1	722634803	YJBUPIOQLFGRTD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CC[C@H]2CCCC[C@H]2C1	723622126	QKPGYIXNUSHTHN-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C=C/C=C/CCSCc1ccc(C)c(C)c1	1307319035	CEVKUWUXSWCEFR-AATRIKPKSA-N	232.392	4.669	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC2CCC=CCC2)CC1	1658048685	OHZIISJEIGPBIO-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCSCCCCSc1ccc(C)cc1	1775954516	OGHWDFCBKYIXRL-UHFFFAOYSA-N	240.437	4.620	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC2(C)CCC3(CC2)CC3)C1	1875708542	IWQGSNDKGQPSOO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@@H]1C[C@H]2CC[C@H]1C2	1880414448	FBPRRWUUUCIXBP-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCCCC1CC1	1900594100	JOSKUBYSXPXYNX-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CC[C@H](O)c1csc(C)c1C	1900704043	OQSGMFNGBQXZEM-AWEZNQCLSA-N	240.412	4.615	0	10	BJAE	
CCC(C)(CC)c1nc(CC2CCC2)cs1	1901906836	FWLOZTIGMNKECJ-UHFFFAOYSA-N	237.412	4.563	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CC)C1CCCC1	1905367860	BSECURZTFYZEOP-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@]12CCCC[C@@H]1C2	1909881719	HNDYOLKSAPBUNB-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@H]1CCCCC1(C)C	1910809353	KPKKUPLFOOQOEC-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)NCC(=C[C@]1(C)C[C@@H]1C)C1CCCCC1	1912084377	DLNAVHIDVFQTBC-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@](N)(CC)c1ccc(C2CCC2)cc1	1920137144	FWQXZSJXFBHMFT-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
CCCNCC1(CC(CC)CC)CC(CC)C1	1921187170	OOZGLUIAIDTLDW-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@@H]1CCCC12CCC2	1921628638	AGKMDIOHPOFWCJ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
FC(F)=Cc1cccc(Oc2ccccc2)c1	1927579893	XFQLBLSFGNXOOA-UHFFFAOYSA-N	232.229	4.716	0	10	BJAE	
Cc1cnc([C@@H]2CCCC(C)(C)CC2)s1	1935225050	DAHAAHIARGEGME-LLVKDONJSA-N	223.385	4.525	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1ccccc1C(C)C	1940624015	BXRPZYXGHBSOIL-QWHCGFSZSA-N	232.367	4.675	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](O)(CCCC2(C)CC2)C1	1940871132	ZXIDZGCCSXSPJQ-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1(CCC[C@H](O)C2(C)CCCCCC2)CC1	1940871314	BMZAELDEIPQAHH-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
Oc1ccc(-c2cccc(C3CC3)c2)cc1Cl	1941531253	NYJINDXKKFNOMI-UHFFFAOYSA-N	244.721	4.590	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CC(C)(C)CC2(CC2)C1	1943082610	UHQWOSQFDVYBKT-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C[C@@H]1CCC[C@H]1C	1944848296	CZTPRDHQSZAIJD-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@H]1C[C@H]2CCCC[C@@H]2C1=O	1946337360	MHMSXKCEOFYIKD-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)(CCC1(O)CCCCCCC1)C1CC1	1947533640	VBYJFSDJPAJMKW-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H]1CCCCC12CCC2	1947880822	HTWDFGBUSKZTLP-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1CC12CCCC2	1948079532	FLLMELXNBPJRBQ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C1CC(C)(CC)C1	1948412147	CYLKNBKLWBMPGI-UIDBIOKJSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)[C@H]1CCC2(CCCC2)C1	1949536354	ZOFAYMOJLGWTCE-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC=CC[C@H](C)c1cc(F)ccc1OCCC	1951308720	MGOKGKRUUZCIAZ-LBPRGKRZSA-N	236.330	4.684	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C)[C@@H](C)CC(C)C)C1	1963181653	FAMKYACUHBAOPZ-KBPBESRZSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1N[C@@H]1CCCC12CCCC2	1964605816	INNAKQHEWDGRPD-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@@H]1CN[C@H]1CCCC12CCC2	1966249400	JHLBQUZADFRUCV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1967861500	YKPBKTYMQKYBEK-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)CN1c2ccccc2C[C@@H]1C	1968232583	KGUAWOQILUEHHG-GJZGRUSLSA-N	245.410	4.654	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CCC3CC2C3)cc1	1968294169	IQCILVOIQVBRJC-VMBOVVBDSA-N	243.394	4.630	0	10	BJAE	
CCC1(CC)CCC(Nc2ccc(C)nc2)CC1	1968892873	YHYAZHUZMKYZAO-UHFFFAOYSA-N	246.398	4.551	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@H]2CC(C)C)ccc1F	1971991760	OLHDEWSHUPOKKL-XJKSGUPXSA-N	249.373	4.625	0	10	BJAE	
CCCC[C@@](N)(CC)C1CCC(C)(C)CC1	1975998306	NEAHSGPLTQOGRN-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@@H](O)c1cc(C(F)F)cs1	1977079079	QIURXKURLUMQKH-SNVBAGLBSA-N	248.338	4.545	0	10	BJAE	
Cc1cc(C(=O)CCCC(C)(C)C)c(C)s1	1978416269	GKMWJEVXYFAUAH-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CC[C@H](C)CCC1=O	1984462977	VGVYJZWULLRTOB-GXTWGEPZSA-N	222.372	4.518	0	10	BJAE	
CCCCCC[C@@H](N)CC(C(C)C)C(C)C	1988238697	OAYLMPWFMPKPKK-CQSZACIVSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cccc(F)c1Cl	1989823057	BCGUVWSZJWWKGJ-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
C[C@@H]1CC(NC2(C)CCCCCC2)C[C@@H](C)C1	1995825067	BJTNDSSMSUDOPW-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@H](C)[C@@]1(N)CCCC2(CCCCC2)C1	1996647822	RPMYYIXPRIMHSJ-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@]1(C)CC=CCC1	1997551205	JRVHXLQDJSDWRS-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@@H]1CC12CCCC2	2001272481	TVVAOKPCHVWMAC-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2002771712	JDBOTXQLLHEFDG-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@](CN)(CC2(C)CCCC2)C1	2002974644	RRQGHGNJCWEYIM-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(N)[C@H]1CCC[C@H](C)C1	2003013973	AFLGNHPXEZGPGA-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C[C@@H](O)C1(C)CCCCCCC1)C1CC1	2004920535	KYIRHXLLKKIADO-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)CCC1CCCC1	2005588439	DZOYKGGUKHITGE-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](C=C1CCCCC1)NC	2007942312	IVPYKEUPVBCXMZ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCCCCC[C@H]1NC	2009611747	NEYBFZYLHMNLBV-OBMMGQTPSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@H](N)c2cccs2)CC1	2010712976	KTHBFTMZRRGXCL-GXTWGEPZSA-N	249.423	4.521	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](NCC)CC(C)(C)C1	2012058289	JKDDZULSTNFVBT-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(CF)cc1	2013272229	ZVXTYTXOGKTALV-AWEZNQCLSA-N	237.362	4.783	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@@H](C(C)C)N1	2013525839	KTWRILWOMFRHKZ-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CC(C)C1(C[C@@]2(O)CCCCC[C@H]2C)CCC1	2017116824	NQLYKBGPYRRKII-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC(F)(F)CCCC(=O)C1(C(C)(C)C)CCC1	2017131747	URBGTTDXCZAWLE-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC[C@H]1C[C@@H]1C)NC	2017237474	MKANPXPCWLQQTR-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(F)C[C@H]1C[C@H](C(C)(C)C)CCC1=O	2017463570	LAWKOWSFEMOXON-VXGBXAGGSA-N	240.362	4.671	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(O)CCC2CC2)CC1	2017649059	RQCVELIGXDQEBA-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@@H](C)CC(C)C)CC1	2017730188	FCBUSRBISVBEBP-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1CCC(C)(C)C1	2018130205	MZYNBLVUHURGQO-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@](C)(N)C(C(C)C)C(C)C)CC1	2018984074	CVLAGSLKLIPJOX-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](C)C1CC(C)C1	2019187922	GCVDYLVJTZZGBL-PYBGIAKNSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](C)[C@@H]1CC1(C)C	2019192971	VMFWXOXGNBRRGU-ILXRZTDVSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](C)N1CCC[C@H]1C1CCCCCC1	2019306573	YENSNXXAKCJTAG-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CCN(C1CCCCCC1)[C@H]1CCC(C)(C)C1	2020506492	RXOURBDGMXIOHF-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CCCC1(C[C@@]2(O)CC[C@H](C(C)C)C2)CCC1	2025573648	WXKSMMYTCJOOJA-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@]12CCC[C@H]1C2	2026075754	YXOKHHMRXGLXET-DZKIICNBSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC1CCCCC1	2026139421	ANQBCKDGHQMPDF-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)N[C@@H]1CCC12CCCCC2	2026839363	JUQCJOWZEBWYQL-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(F)c(C(=O)CC2(C)CCCCC2)c1	2027274764	FPSQWJBNGPPYBB-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NC)c1ccc(C)cc1C	2028262869	KWZIEBIPXXGKOD-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@H](c1cccc(C2CC2)c1)[C@@H](C)CC	2028549471	NCWATIRAXZRBER-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)c1cccc(C2CC2)c1	2028552055	LYEDHUACTVUFPP-LRDDRELGSA-N	246.394	4.670	0	10	BJAE	
CCC[C@@H](C(=O)c1ccccc1C1CC1)C(C)C	2028564806	GMNOQDYGYFVXHV-CQSZACIVSA-N	244.378	4.819	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1ccccc1CC(C)C	2028914263	DSTDCWKNYUQAFO-ZIAGYGMSSA-N	246.394	4.750	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)c1ccccc1C(C)C	2029823076	GMZOIRXJCBVFAO-PBHICJAKSA-N	247.426	4.882	0	10	BJAE	
CCC(C)(C)[C@H](O)c1ccc(C2CCCC2)cc1	2031751154	ANBXWJBXKAFJGV-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCCNC[C@]1(C2CCCCCC2)CC12CCC2	2032134228	GYEZBPRXPGEEPW-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@H]1CCC[C@@H]1C	2032508361	CQANVFNXKLKEGY-JJRVBVJISA-N	246.394	4.670	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)[C@@H](C)CC(C)C)cc1	2036386558	YLPTVMBENPRXBS-XHSDSOJGSA-N	247.426	4.716	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CC1CCC=CCC1	2037210248	VBKRXLWJUBISKU-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)[C@H]1CCC2(CCCC2)C1	2037680141	WUOPQRLMKYZHCG-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
C=CC=CCCC[C@@H](NCCC)c1ccccc1	2038129832	AKSCUZAMVAOTNQ-QGZVFWFLSA-N	243.394	4.640	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC[C@@H]1CC12CCCCC2	2039058878	PXVLMMHVTIYMRY-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@]2(N)C[C@@H]3CCCCC[C@@H]3C2)C1	2040169901	RZRYYSHLPADYJR-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(N[C@H](C)C2CCC(C)CC2)cc1	2040632261	CNQUCISMPAFYQW-NPCAHTBFSA-N	245.410	4.876	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1cccc2ccccc12	2040722766	BLMCJQWEFHDOEI-MRXNPFEDSA-N	241.378	4.666	0	10	BJAE	
O[C@]1(C[C@@H]2CCC=CCCC2)CCCC2(CC2)C1	2045334894	MHRCTLQAELEMQU-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@H](C[C@@H]2CCC3(CC3)C2)NCC)CC1	2049863595	HOHQEVJGTSTWER-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCC3(CC3)C2)C1	2049961372	DPKPSGVGFKQKLD-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)[C@@]12C=C[C@@H](CC1)C2	2049997997	RVSQVQXZILGKPP-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)[C@]1(C)C=CCCC1	2050005370	FTEBFQJFSCBNND-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)[C@@H]2CC[C@@H]3C[C@H]3C2)CCCCCCC1	2052479517	OJPRDZJLEHMPJQ-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC(=O)c2ccccc2C(C)C)C1	2056666804	WMTOJGPXBHDWSO-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)C1(C2CC2)CCCC1	2057609313	OQYDNWGMRYBKQH-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@H](CC)c1ccccc1	2059256178	NFKOSCOYVHDNLW-TZNLOLHFSA-N	245.410	4.515	0	10	BJAE	
CC(C)[C@H]1CC=C(C2(N)CCC(C)(C)CC2)CC1	2061118121	DYJKDGHWGCAVLS-AWEZNQCLSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@@H](NCCC)C1CCCCCCC1	2061565548	DSOVPYQIRZHUKQ-QGZVFWFLSA-N	249.442	4.836	0	10	BJAE	
CCC1CCC(CN)(CC[C@]23CCC[C@H]2C3)CC1	2061622456	LWCODIMGIXGMRG-XGHPGWEVSA-N	249.442	4.502	0	10	BJAE	
CCCC1(CN[C@@H]2CCCCCC23CC3)CCC1	2062022142	AYUSUYLYIPTUBQ-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063490196	IZXUFGASROCJJN-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1C[C@@H](CC2CCC=CCC2)CC(C)(C)C1	2063643517	UXMIZVVUVBWSSV-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)CC12CCC(CC1)CC2	2065302280	GBBGUXHMWJKGTF-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CNCCCC1=C1CCC(C(C)(C)C)CC1	2070619891	IEIPHQRZJHMHQE-AFYYWNPRSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@H]1C[C@@H]1CC)C1=CCC(C)(C)CC1	2071512409	UQFWOXBWXSJUOR-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CCNC3(CCCC3)C2)C1	2074137978	GAQXDAQAGVBSOZ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)c1cc(C)co1	2074652309	WACPJTNTLICMOH-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)C1CC2(CCCC2)C1	2074896957	SGRAKIBNQGPUSR-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCC3(CC3)C2)C1=O	2076451520	VMSRQRJNVNXQQM-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(-c2cccc(C(F)F)c2)ccc1O	2076812105	VJXNGERMDGMXRY-UHFFFAOYSA-N	248.272	4.559	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1(C2CC2)CCCC1	2077193516	AZPTVIGIHYFCMT-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CNc1ccccc1C1CCC1)C1CCC1	2077264626	XBLRLVPIOXLARM-CYBMUJFWSA-N	243.394	4.802	0	10	BJAE	
Cc1ccc(N[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)cc1C	2077360246	OLMAPVDKXKMNMY-OFQRWUPVSA-N	243.394	4.540	0	10	BJAE	
CCCCc1ccc([C@@H]2CC[C@H](C)C(=O)C2)cc1	2077923310	KWHRLDIYCPMSKJ-XJKSGUPXSA-N	244.378	4.502	0	10	BJAE	
CCCCCc1ccc(C(=O)CC[C@@H]2C[C@@H]2C)o1	2077981185	KTZZREOYKJCPSO-QWHCGFSZSA-N	248.366	4.631	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)C1(C2CC2)CCCC1	2079845252	XRSIRDORQYIUEU-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@H]2C2CCCC2)C1	2079851989	ODSFYNXZHOJWFD-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCC[C@@H]1C[C@@H]1C[C@H]1C1CCCCC1	2079861498	GGBOKBPGNNPTBA-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
CC(C)(CC(=O)C[C@H]1C[C@H]1C1CCCC1)C1CC1	2079862547	HTIOLZOZCNNYCH-BBRMVZONSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN1CCCCC12CCCCC2	2079891853	WLVFLJPPRMPYNJ-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC(C)NCC1([C@@H]2C=CCC2)CCC(C)(C)CC1	2081682361	UPBWLTSWKFNSET-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1NCC1(C(C)C)CCC1	2081951585	PDKUZJQHRWGSSM-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
CC(=C[C@H](C)C1CCCCC1)[C@H]1CC[C@@H](N)CC1	2082137258	RNGMTWRYWWKEHW-RRQGHBQHSA-N	249.442	4.667	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1cc(C)cc(C)c1C	2082943099	YBIQXJAULCGZSH-INIZCTEOSA-N	248.410	4.862	0	10	BJAE	
CC1(C)CC(C=C2CCC[C@H](N)C2)CC(C)(C)C1	2082985438	HSDKYGSUBTUDJO-HNNXBMFYSA-N	249.442	4.667	0	10	BJAE	
CCCC(O)(CCC)c1cccc(C(C)(C)C)c1	2083542165	SRQSYPFQINRRDG-UHFFFAOYSA-N	248.410	4.772	0	10	BJAE	
c1oc2cc3c(cc2c1C1CCCC1)CCCC3	2086724877	SSQZPBNQZTYJAF-UHFFFAOYSA-N	240.346	4.969	0	10	BJAE	
CC(C)CCC(=O)CCCCCCC1CC1	2210528047	ZLYCEKGTDVRKPW-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213277883	OVYSRIOHRZKXIB-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC(=O)CC(C)(C)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213296641	ADFHPNVBJWTADT-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@](C)(NCCCCCCC2CC2)C1	2213577173	YXVVVXISAPLEHL-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
C=CC=CCC[C@@H](NCC)c1scc(C)c1C	2213651847	SLPKJQIRJVLCFX-CQSZACIVSA-N	249.423	4.538	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCCCC1CC1)NCC	2214576086	AGTGJCXIVGXODW-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)CN(C)CCCCCCCC1CC1	2216877234	JSGKABQJMAVNON-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
C1CCCC(N[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218331750	MCYKXNGGUHUNRU-QLPKVWCKSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218336239	BEBWGIZAMBPAIM-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCNCC1(CC2CC2)CC1	2218719049	UWFNZXKAPVVEHB-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
NC1(CCCCC2CC2)CCC2(CCCC2)CC1	2220028575	UJTYMZIPBVHFKM-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)CCCCC1CC1	2220042778	WYXCPOFOSPAHSS-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CC(C)c1cc(N[C@H](C)C2CCCCC2)ccn1	2220886976	YWSSSUNDZGWVPY-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CC(C)(CC(=O)CC2CC3(CCC3)C2)C1	2221072785	RGBNLLQWILVYEO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C(CCCNC1[C@H]2CCCC[C@H]12)CCCC1CC1	2223156039	XNNWONTUWFQTRH-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@]1(CNC1CCC1)CC1CCCC1	2223542893	UYTGOGQITASBNL-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)c1ccc(C2CCC2)cc1	2223684215	OTJQFKJMVUJWCV-SJKOYZFVSA-N	242.362	4.573	0	10	BJAE	
CCC[C@H](C)C(=O)CC[C@H]1CCC[C@@H](C)C1	2242773856	YOVZMDNCUPZDSA-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC[C@H]2CCC[C@H](C)C2)N1	2246688793	VRODQNXOVCTJKI-ZJIFWQFVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H]1CCC12CCC2	2247433850	PQMBWEIKTWENIZ-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
O=C1CCCCCCC[C@H]1CC1=CCCCC1	2247508385	IFOLCRJVICPDMG-HNNXBMFYSA-N	234.383	4.807	0	10	BJAE	
C[C@H](CNC(C(C)(C)C)C(C)(C)C)C(C)(C)C	2247735021	ZIKYCRDUNQNRON-GFCCVEGCSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)CCC1CCC1	2248817389	VJIQHTSTFAGCBM-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](O)C1(C)CCCC1	2248857396	YQIMLLTXPREULH-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)C[C@H]1C[C@H]1C	2250526085	AETRLMOUIKSJKL-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@]12CCCC[C@@H]1CC2	2251158949	QPZHWNCCFBOJHN-LZWOXQAQSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H](CC[C@H]2CCCCC23CC3)C(=O)C1	2253880257	IDJSDNXDDKZHSJ-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@H]2CCC3(CC3)C2)C1	2253922678	PLOZIMQSCMASKP-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H]2CCNC3(CCC3)C2)C1	2253944587	OQDHVOMEQKFMFR-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](C)c2ccc(N)cc2)C1	2253967241	FTWGJOZEUADDLR-RBSFLKMASA-N	245.410	4.979	0	10	BJAE	
C[C@H](NCC1CC2(CCCC2)C1)C1(C)CCCC1	2254082258	MMRIQQVIGPVBJL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)C(=O)Cc1ccc(CCC)cc1	2256312922	ODAIRYHVPPFEGH-CQSZACIVSA-N	246.394	4.577	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@](C)(N)C1CC2(CC2)C1	2257313818	DVIOJAWKIZWGTQ-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2CCCCC[C@H]2C)cc(C)c1C	2258233754	RJNIYPJERIWVFW-SJKOYZFVSA-N	245.410	4.993	0	10	BJAE	
Cc1cc(N[C@@H](C)C2(C)CCCC2)cc(C)c1C	2258249609	WTFZIUOHUXKWTK-HNNXBMFYSA-N	245.410	4.993	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)[C@H](CC)CCC	2259446120	YFNWPRPDFJBRIJ-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNc1cccc(N)c1	2259675291	JTVBJLDNVBCPRU-CQSZACIVSA-N	248.414	4.533	0	10	BJAE	
CCC[C@@H]1CCCCN1C[C@@]12CCCC[C@H]1CC2	2260626873	VNODJEKDSKBNPY-BBWFWOEESA-N	249.442	4.611	0	10	BJAE	
CC[C@@](N)(C[C@@]12CCCC[C@@H]1CC2)C(C)(C)C	2298721104	PVDTUACIYUHAMS-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@]1(CO)CCC=CCCC1	2300676031	KLSPVKWBVSRTMU-INIZCTEOSA-N	238.415	4.702	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)C1(C)CC1	2301141594	AVQJHCIMXHTYOD-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NCC(C)(C)CC1CCCCCC1	2301239689	RWHLRDVBPZPTMN-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CNC(C)C)CC1CCCCCC1	2301244207	KGQZLQAUBXCFQY-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CN(c1ccc(Cl)cc1)[C@@H]1C=CCCCCC1	2301343273	JAYDVOSNEGCVIX-CQSZACIVSA-N	249.785	4.665	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CCCC(C)C	2301627535	CJGYZFVCOZAXLA-UHFFFAOYSA-N	233.330	4.525	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@H](C)[C@H](C)C(C)C	2301825017	IEUTVERFCYEWIB-JJXSEGSLSA-N	241.463	4.848	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)CCC1=CCCCC1	2301939230	SAYNBNOTKBTQKK-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
C[C@H]1[C@H](C(=O)CCC2CCCCC2)CC1(C)C	2302080784	VDGNRVAFMMEQEW-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
Cc1cscc1[C@@H](N)CCCC1=CCCCC1	2302345718	WFQRFDRYYGNABK-HNNXBMFYSA-N	249.423	4.727	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CCCC1=CCCCC1	2302356085	JFQYMBOSMRTARE-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@H]1CCC(C)(C)C1	2302883011	QIKDOWPNYSKNMN-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCc1cscc1NC[C@@]12CCCC[C@H]1CC2	2302885376	AQZQKXSAGAMBSA-ZFWWWQNUSA-N	249.423	4.693	0	10	BJAE	
C[C@H](C[C@H](N)C[C@H]1CCC(C)(C)C1)C(C)(C)C	2302900388	DHYWHVDJAJBWLB-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1ccccc1-c1c(F)ccnc1Cl	2304358123	FPDHRESZKHUNCO-UHFFFAOYSA-N	249.716	4.665	0	10	BJAE	
CC(C)NC[C@@H](C)CCC[C@H]1CCC(C)(C)C1	2304447828	RUEQYAXLAXLGEC-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCc1nc([C@@]23CCC[C@@H]2C3)cs1	2307692724	ILQSQWBBAZAWMP-IAQYHMDHSA-N	249.423	4.563	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@@H]1CCC[C@H]2C[C@H]12	2307926199	MOEUVIALVUBRSQ-RZLSGREXSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)CC[C@@H]1C[C@H]1C	2311276719	JKZZLASXWKCCDJ-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C)c1ccccc1[C@@H]1C[C@H]1C(C)C	2311852770	CUGVSDBIVJHHEA-JQFCIGGWSA-N	245.410	4.507	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313342382	LFEDGBQRDITBNH-WCXIOVBPSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C(CC2CC2)CC2CC2)C1	2313607956	HFXHZWUQFRPBKU-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H](C)CC1CCC1	2313694733	HRQBOTGKIWCUER-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCc1cc(C(=O)[C@H]2CCC(C)(C)C2)ccc1C	2314714541	ZOHURCDYHPWOSH-HNNXBMFYSA-N	244.378	4.566	0	10	BJAE	
CCC(CC)CCC(=O)c1ccncc1C(C)C	2316601930	ZSBXWRBOSKPROA-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCC1CCCCCC1	2317015053	FGWGJXQUDZWIJY-KRWDZBQOSA-N	245.410	4.745	0	10	BJAE	
CC(C)c1ccc(F)cc1NC1CCC=CCC1	2317929697	NPAKDVFRYDOOLO-UHFFFAOYSA-N	247.357	4.860	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1CC[C@H]2C[C@@H]2C1	2317934768	VQTFDIMPAOGYDB-PMPSAXMXSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CCCC2=CCCCC2)CC1	2318546452	SKJXYHAQHRHQNS-DOTOQJQBSA-N	249.442	4.955	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)[C@H]1[C@@H](C)[C@H]1C	2318598905	URAXSUYQNQAMDX-FSDCSDTHSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)CCC2=CCCCC2)C1	2319109063	VSXSIAXAXMLHAM-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CCCC1(CC(=O)C[C@@H]2CC[C@H]2C2CC2)CCC1	2319500015	KLPRHBSILVTNIQ-HOCLYGCPSA-N	248.410	4.742	0	10	BJAE	
C1CCCC(NCC[C@H]2CC[C@@H]2C2CC2)CCC1	2319645305	ZJCJFPGWWPXXKB-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@@H]2CCC(C)(C)C2)CC1	2320340781	OQJFSGCLABKDDH-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)C[C@@H]2C[C@H]2CC)cc1	2320385157	MVTIQNQZLOEZJP-UTJXIGIESA-N	245.410	4.636	0	10	BJAE	
CC1=C(C)C[C@H](CC[C@H](N)C2CCCCC2)CC1	2320411374	JGSZYLCQLSLKCY-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)[C@]2(C)CC=CCC2)C1	2321612276	ZLXZOLSXWKYSRF-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)C[C@@H](C)C2CC2)c1	2327673430	OZHIUIYEAMVICV-DYVFJYSZSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](N)c1cc(C)ccc1C(C)C	2327673771	SXAKIDYABCIXHO-JKIFEVAISA-N	245.410	4.554	0	10	BJAE	
CC[C@](O)(CC1CC1)c1cc(C)ccc1C(C)C	2327692208	LZLJXOOZLRJNNP-KRWDZBQOSA-N	246.394	4.516	0	10	BJAE	
CC(C)(C)c1cc(N)cc(C(C)(C)C)c1Cl	19801586	GUGOFVVUGDOPRG-UHFFFAOYSA-N	239.790	4.517	0	10	BJAE	
CC(C)(C)C(=O)CCc1ccc(C(C)(C)C)cc1	36683723	BJDRAFAAPYTJNU-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
Cc1sc(S)nc1-c1ccc(C(C)C)cc1	75420680	XSAUHOQNWPTXRT-UHFFFAOYSA-N	249.404	4.531	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)C[C@@H](C)CC	83864841	XSAIYVKHDLIJOH-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CCC1C[C@@H](C)C[C@@H](C)C1)NCC	84958299	UJBXUHMQHSMQOR-VFSICIBPSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CN[C@H]1CCC[C@@H](C(C)(C)C)CC1	86957433	GIWHFHTVSXEMAG-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1)C1CCCCCC1	87947600	KLMXGUMOCXQLEQ-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@@H]1CCC[C@@H](C)C1	88764934	DKEZKPRVVDIYRV-ZWNOBZJWSA-N	238.758	4.606	0	10	BJAE	
CC1(C)CCC[C@H]1Nc1cccc2ccccc12	94302959	NDTUMWYCSHTFPT-MRXNPFEDSA-N	239.362	4.830	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCCC[C@@H]1C(C)(C)C	109944960	DNQWJPGYXQLPQA-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1cc(C)oc1C	124918488	SUCFUQHOTZKXIB-UKRRQHHQSA-N	237.387	4.503	0	10	BJAE	
CCC(CC)C[C@]1(O)CCCC(C)(C)CC1	129377826	BSZAYYONGYGLKV-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc2c(ccn2CC2CCCCC2)c1	129560018	OBNDBXYXMBRUGT-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NCCC2CCC2)cc1	133945381	VIGKCEHHPJMLBC-CQSZACIVSA-N	245.410	4.651	0	10	BJAE	
CCC(CC)C[C@@H](N)c1ccc2ccccc2c1	148304423	SMFCFYCODQWOHJ-QGZVFWFLSA-N	241.378	4.666	0	10	BJAE	
CCN[C@@H](CCC(C)C)C[C@@H](C)CC(C)(C)C	158722171	PUFNXFPEZJXEJD-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C[C@H](C)CCC	162164425	VLEKXYFLBSLLJV-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1CCC[C@H]1CC	164106585	LZBQWQJIZATRSU-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)CC(C)(C)[C@H]1CC[C@@H](C)C[C@@H]1O	222609295	HMMJAJDKVSTQAD-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)(C)C)C(CC)CC	228692552	MAQPDAQQNIRWAR-DZGCQCFKSA-N	241.463	4.863	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)CC1CCC1	229668624	YGJWQWJRFPPZDZ-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)CC2CCC2)c(C)c1	229690269	BNOFCXFQZXRXDN-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
CCC1(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1	233015221	QDZKPIXDYISNFE-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN[C@H](c2ccccc2)C(C)C)CC1	233025429	FLWGUFVUDWOPSS-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CN	250837551	VVPWEZDEAWWSKZ-ILXRZTDVSA-N	239.447	4.604	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@@H](O)c2ccccc2)C[C@H]1C	251900151	SLBZEMVLXVXVTN-KCYZZUKISA-N	246.394	4.573	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	253177407	AYJRXQFLYGLIOM-NHAGDIPZSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H](CC)CCCC	300873522	FDHSNMZNDMPSRM-UONOGXRCSA-N	226.404	4.988	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)CCC1CCCCC1	302248747	JUWHQLUUVYDCSE-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](N)CCC2CCCCC2)C1	302249444	KBKIXULSHJVLCN-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H]([C@@H]2/C=C/CCCCC2)C1	302403791	KEUDYEAISOGOLA-VWLVSRPKSA-N	248.410	4.764	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)c1ccccc1C(C)(C)C	302569358	OTJJJXQPCZZCEU-CJNGLKHVSA-N	247.426	4.666	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)C1CCCCC1	305901397	BARZWMVNVFLYAQ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)C[C@@H](C)CC(C)C	305993984	UAKLBHWDFTVJJF-UAGQMJEPSA-N	248.410	4.613	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)[C@H](C)C[C@H](C)C3	307983605	IPRHSGVCDREAPX-NWDGAFQWSA-N	241.378	4.977	0	10	BJAE	
CCC1(CSc2ccc(C(C)=O)cc2)CCC1	310103200	CDDKVQPTLSQQLS-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC1CCC(N)(C[C@@H](C)C2CCCCC2)CC1	310519280	WEOCMZMEGPXBLF-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](N[C@@H](C)c1ccc(C)cc1C)C1CC1	310639543	ASIQBCBBXZEZBI-WMLDXEAASA-N	245.410	4.533	0	10	BJAE	
CCN[C@H](CC(C)(C)C)c1ccccc1C(C)C	310976466	SGZNJWGSEGFCTO-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CC1CCC(Cn2ccc3c(F)cccc32)CC1	311011329	PFIYYFJXBDVMFQ-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
CNC[C@]1(CC2CCC(C)(C)CC2)CC=CCC1	317928810	UWUWRKQIJFSYAU-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC(C)=CC[C@]1(CNC(C)(C)C)CCC[C@@H]1C	318241519	LQFBVJJFLYCTQQ-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](CCC2CC2)(CNC2CC2)C1	319030807	IPUNOHKWJXHLET-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](NC)c1c(C)cc(C)cc1C	320006152	HMGMUFBFIKKUHU-XGWLTEMNSA-N	247.426	4.555	0	10	BJAE	
CCC[C@H](CCCC/C=C\c1ccccc1)NC	324219651	YRCYSMWMYYHVPU-UUKWBXHYSA-N	245.410	4.648	0	10	BJAE	
C[C@H](N[C@H](C)CCC(C)(C)C)c1ccccc1	379725759	SVXGMLDKTGYEJD-KGLIPLIRSA-N	233.399	4.552	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)C[C@@H]1CCCCN1	380003099	YMTRGMYMVNQLCW-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CCCC1CCC(C)(C)CC1)NC	380056078	NHKHPFKYRHYURR-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@H](N)C(C(C)C)C(C)C	383390610	OUEUYXUSSYUNCX-HNNXBMFYSA-N	241.463	4.848	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1(C)CCC1)NCCC	383534383	RWOFLYDSNWDPKW-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@H](C)C1)c1cccc(C)c1	385031014	GSVZIFSEBIOIGZ-XIRDDKMYSA-N	245.410	4.614	0	10	BJAE	
CC(C)C[C@H](C)CNc1cccc2ccsc12	386216738	ISLWOAVITOIALZ-LBPRGKRZSA-N	247.407	4.995	0	10	BJAE	
CC1(C)CCC[C@H]1CN[C@@H]1CCC12CCCCC2	388821115	BGDIGNOZEXLNQO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)CCNc1ccc2sccc2c1	394407285	QNBQLIZCPMFTFX-LLVKDONJSA-N	233.380	4.749	0	10	BJAE	
CCCN[C@H](C)/C(C)=C/[C@@H]1CCC[C@@H](CC)C1	394532554	ZDMOKRNNBNFVFG-MDAVUQIRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](O)(CCCc1ccccc1)C(C)(C)C	395258465	FIGDGUWSYRUAFC-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CCC2=CCCCC2)C1	395329409	QYZBYZFQBBZLFT-NVXWUHKLSA-N	249.442	4.812	0	10	BJAE	
CCOc1cc2c(C)c(C(F)F)ccc2s1	396239943	KLCPFLCGAMOSDS-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1c(F)ccc2scc(C(F)F)c12	396253638	SRBZAORCQORTHN-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCC[C@H](Nc1ccc(F)c(C)c1)[C@@H]1CC1(C)C	397772099	NBDRKVMHPLFHNZ-ZFWWWQNUSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)CCCC(C)(C)C	401303834	UJDDPGUQPVWWPD-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@H](CC)CC(C)C	405741211	PHGXHIZZNTULSK-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@](O)(CCC(C)(C)C2CC2)C1	406057404	KWJOHAIANPHWHM-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCSc1cccc(N[C@H]2CCC[C@@H](C)C2)c1	689702313	OYWMUAQRAIMDIG-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
CC(C)(CC[C@](C)(O)CC1CCCC1)C1CC1	689715729	MTAHZFOMFUHOCL-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@@H](C)CC2CCCC2)c(C)c1	689779142	FOISQTHIZMDICJ-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
Clc1ccc(NC[C@H]2CC3CCC2CC3)cc1	691705840	XSVBAMIJWJTGPF-WXRRBKDZSA-N	249.785	4.578	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@H]2CCCC3(CC3)C2)C1	695918859	SKRXJPULLZKUHB-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)CC[C@H](CNC)C1CCCCC1	696840932	XCDASBGYIIHCSN-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)c1cccs1	697758508	JFPFCKZFVXJMKP-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
CC(C)=CCCC(=O)c1ccc2ccccc2c1	697790122	NCDQHFBEZGOQGY-UHFFFAOYSA-N	238.330	4.769	0	10	BJAE	
CC(C)=CCC[C@]1(CNC2CC2)CCC[C@@H](C)C1	698053923	JJVCSPYPKJCYCZ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
N[C@]1(CCC2CCCCC2)CCCC12CCCC2	704448108	WIHXESMWKTWETM-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(N)CCCCC[C@@H]1C(C)C	704461629	PUIUVHQUUHYVFC-XHSDSOJGSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)C1CCCCCC1	704955231	BWLNFELGTNVICQ-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCC12CC2)C1CCCCC1	706304603	XICPRZKXWXLFLA-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](N[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccco1	708313222	ZWEFWZIGXWPSKV-RDBSUJKOSA-N	249.398	4.535	0	10	BJAE	
C[C@@H](CCC[C@@H](O)c1ccccc1)CC(C)(C)C	709097385	NJRDYECWNPGZNH-GOEBONIOSA-N	248.410	4.963	0	10	BJAE	
CCCCCCC1(CNCC(C)C)CC=CC1	709800076	GGQKANCIJPTJBQ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
Fc1cc(CC2CCCCC2)ccc1Cl	709865905	PNTXQBVYYFAPDO-UHFFFAOYSA-N	226.722	4.602	0	10	BJAE	
Cc1cc(N[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)cs1	710730322	ZQHCHMLIIAFBPW-LNSITVRQSA-N	249.423	4.683	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H](C)C(C)(C)C	711134529	MQCZUBPJDPFPJL-OCCSQVGLSA-N	227.436	4.602	0	10	BJAE	
CC(C)c1ccc(C(=O)C23CCC(CC2)C3)cc1	711207821	XZRHWDNOOHPTJM-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1ccccc1C(C)(C)C	713160485	NVKIVDHOPHVXRL-OAHLLOKOSA-N	247.426	4.681	0	10	BJAE	
C=C/C=C\CCNc1ccc(-c2ccccc2)cc1	713671666	QELNCRNHRXDEKS-ARJAWSKDSA-N	249.357	4.898	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)[C@@H](C)CC(C)(C)C	713679465	RUCCNTVTUJFLOM-KZZSIXTMSA-N	237.431	4.559	0	10	BJAE	
CCC1CCC([C@H]2CCC(C)(C)CC2=O)CC1	717535051	SJTJHJVEHQETHN-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1NC1CCC=CCC1	718030809	WFRJKCOMJCLNSU-IAGOWNOFSA-N	249.442	4.680	0	10	BJAE	
CCC(C)(C)CC1(CNC2CC2)CCC=CCC1	718089150	WMSLOSAVFBQZKC-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCNc1cccc(C)c1Cl	718624497	SFLNOLBKQPYZTQ-UHFFFAOYSA-N	237.774	4.807	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1C[C@@H](C(C)C)CCC1=O	719176074	HJKAAAKNGJBHTA-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H](C)c1ccco1	720945865	WEFCCBFFSHECBU-HIFRSBDPSA-N	249.398	4.679	0	10	BJAE	
CCCCCCN[C@@H](C1CCCCC1)C1CC1	724006334	AJYZWZHCCBZLOS-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)CCC1CCCCC1	1908554623	KECFMWVVGHLBBY-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CSc1ccc(NC[C@@H]2C[C@H]2C(C)(C)C)cc1	1910727291	LGBHAAMRMMISHH-SMDDNHRTSA-N	249.423	4.503	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1C[C@H]1C1CCCC1	1910806995	ATKQLLLVPBORIJ-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
N[C@H](C1=CCCCCCC1)C1CC2(CCCC2)C1	1912644928	IFVIIYHJLNNFNR-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](O)(c1ccccc1)C(C)C	1919936360	ZPAJPIYCIDBROC-WBVHZDCISA-N	248.410	4.603	0	10	BJAE	
CCCCCC[C@@](C)(O)c1ccc(CCC)cc1	1919971604	BLEZMQGFHAOLTH-QGZVFWFLSA-N	248.410	4.817	0	10	BJAE	
CCCc1ccc([C@@](C)(O)CCCC(C)C)cc1	1920026299	HLEUEUDWXJBJFI-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1CC(C(C)C)C1	1921266822	QRZXPUGSJYSSBN-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C1CC2(CCCCC2)C1	1921432401	JTLGWCOFFIOBFY-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
NC[C@@]1(CCCCCC2CC2)CCCC12CCC2	1921630502	REOQNWZMKLIMPF-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NC1C[C@H]2CCC[C@H](C1)C2	1923468522	HPSUEYDIQMMTKB-QBYUYEEZSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCCC1)NC1C[C@H]2CCC[C@H](C1)C2	1923486478	GNLHXXZATSQADA-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C(=O)CC[C@H]1C[C@H]1C1CC1)C1CCCCC1	1924081843	TZBJRJVRMUNLOD-RCBQFDQVSA-N	248.410	4.598	0	10	BJAE	
CC1(CCC[C@@H]2[C@H](CN)CCCC23CCC3)CC1	1924799559	VUKHQSRVCJQFQL-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
CCC(CC)CCN[C@H](c1ccccc1)C1CC1	1926174268	IJCZKDNZQHFVPB-QGZVFWFLSA-N	245.410	4.554	0	10	BJAE	
Cc1cscc1N[C@H](C)[C@H](C)CC(C)C	1933235294	FWOYARFZMLEUNE-ZYHUDNBSSA-N	225.401	4.539	0	10	BJAE	
CC1(CC(=O)CCC2CCCC2)CCCCC1	1940385113	NNZJRKXCHMAAFX-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](O)CC2(C)CCCCC2)C1	1940409575	YHCULKUHMVINPH-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CC[C@@H]2CC2(C)C)C1	1940853886	SEUMXRYBIBFGJA-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCCC1(CN)CCCCCC1	1940872690	OHOMWIQWIDNYNY-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H](CCC)C(C)C	1941263178	MZXBAPGQWKSBLX-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@@H](C(=O)C[C@H](C)C1CCC1)C(C)C	1941273630	UDFGVNDDWMKDJC-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
Cc1cscc1CNc1cccc(C(C)C)c1	1941469152	ZQOWQWOTHBWUDX-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CCc1ccccc1OCCCCCC1CC1	1941591418	KYZCZWFIQZWBLE-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
Cc1scc([C@@H](N)CC2CCC=CCC2)c1C	1941793220	HXUUZRVLUJJVET-HNNXBMFYSA-N	249.423	4.501	0	10	BJAE	
CCN[C@H](CC[C@@H](C)CCC(C)C)C(C)(C)C	1942658334	GVDZVQKQIWAGGR-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H]1C[C@@H](C(C)C)CCC1=O	1942664542	XRRKOBXCYORIBW-KKUMJFAQSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CN)CCCC1(C)C	1944479135	ZBDVDYDCYJRVOL-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@H]1CCCCC1(C)C	1944791016	QPSWGFHBQGANFU-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)CCCCCC2CC2)C1	1945580695	AEQSWWNZPVTIHB-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
Clc1ccc(NC2C[C@H]3CCCC[C@@H]3C2)cc1	1946285996	KJMHNGVKIUWCPN-VXGBXAGGSA-N	249.785	4.721	0	10	BJAE	
CCC(CC)C[C@]1(O)CCCCCCC1(F)F	1947290373	UEOHXUBUYQBQKU-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H](C)[C@@H](C)CC(C)C	1948330917	CJRDYNLYQRJRRD-JYJNAYRXSA-N	241.463	4.862	0	10	BJAE	
CCCC[C@@H](CC[C@@H](C)CC(F)F)NCCC	1948429200	KSDNJOLFBRYEHR-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC(C)=C[C@](C)(N)C1CCC(C(C)(C)C)CC1	1949069822	HTNBPKYCYCJHNM-XUJLQICISA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)CC1(O)C[C@@H]2CCC[C@H]2C1	1950305125	SYMBZHCVKYWNMM-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)NC[C@H]1CCCC(C)(C)CC1	1950921429	FQKDYFKDLKBBRA-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@]1(CNCCC)CCC[C@@H](C)CC1	1950923260	SMZUUUABSOSOLM-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@H](CC)c1nc(C2CC2)cs1	1960044946	UHYMTMBEOXLENE-JTQLQIEISA-N	223.385	4.704	0	10	BJAE	
Cc1cccc(NC2CC(C(C)(C)C)C2)c1C	1968250639	QJBLSTGHEUOGPB-UHFFFAOYSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccc(C(C)(C)C)cc1	1968276048	UNNQMOLOKQUXLK-HNNXBMFYSA-N	245.410	4.975	0	10	BJAE	
Cc1cccc(N[C@@H](C)C2(C)CCC2)c1Cl	1969846063	CLSWARBUGAKTCX-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCCC[C@@H](CC)CNC1(C2CC2)CCCC1	1970871110	AGTVPILHUMAJGX-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC1(CC)CCC(N)(CC(C)(C)C)CC1	1981060986	PWNGQAJAEXFTEA-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
FC(F)(F)[C@@H]1CCCC[C@@H]1CC1CC=CC1	1981975620	FXUAGRLQLBPZRK-VXGBXAGGSA-N	232.289	4.711	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@@H](CC)C(C)C	1988778241	MAEGZLMTAZTHLU-QLFBSQMISA-N	227.436	4.602	0	10	BJAE	
CC(C)=C(C)CNc1cc(C)c(F)cc1Cl	1989625181	CZVKMWCLKWEHSH-UHFFFAOYSA-N	241.737	4.556	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1CC[C@H](C)C1	1990093175	IHGGWHQRXBACPO-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)CCC(C)=C(C)C	1990093900	PPLQVXDGIUZKMM-OAHLLOKOSA-N	225.420	4.811	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC1(CCC)CC1	1990610762	OBBICOYRHKAEHV-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H](c2nc(C3CCC3)cs2)C1	1995468297	VTSKEDWOYXESOH-CMPLNLGQSA-N	235.396	4.704	0	10	BJAE	
CC[C@H]1CC[C@@H]1N[C@H](CC)CC1CCCCC1	1998762880	DXACQVYPSRQYDO-XHSDSOJGSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)CC1(N)CCC2(CCCCC2)CC1	2000283489	SNCFUPSXTMVOMN-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CN[C@H](CCCC(C)C)C1(C)CCCCCC1	2000319994	KRPGZUAJVISTKQ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CN)CC1CCC(C)(C)CC1	2000483996	PVOROHMTCGLTIH-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)[C@H](C)C(C)C	2000508893	MLCBQLUCCDHBEP-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)C1CC(C)C1	2000517573	FQAIWOQWRAODBE-ZBCRRDGASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@]1(C)CCCC1(F)F	2002580332	RTGPAIRZJVLLGA-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1CCCCCCCC1=O	2003070130	IKZXJCKDGOWOBW-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
CCC1(C)CCC(O)(C[C@H](C)C(C)(C)C)CC1	2004352317	LDYOPKSKKORFNV-JEYLPNPQSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](N)[C@H]1CCCCC12CCC2	2005593051	XZEPUPVTKCWPER-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CC(C)C1CC(CC(=O)CCC2CCCC2)C1	2007773700	YKEOOVZJIBPRRJ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H](C[C@@H](C)C1CC1)NCCC	2009597060	ZAITXXVPAZZODL-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(N)[C@H](C)CC(C)C)CC1	2010741463	AUTGFTARMWWDCX-IIAWOOMASA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@H](N)CC1=CC[C@H](C(C)(C)C)CC1	2010767292	VMAWYCUTJVQSLU-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@@H](C)CC1=CC[C@@H](C(C)(C)C)CC1	2010767957	XPEDOZQZWAUSJV-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(N)CC1CC2(C1)CC(C)(C)C2	2011846322	ASJUJLYEEBZGRC-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC=CCCCc1cc(C)ccc1C(F)(F)F	2012483016	ILZONAVGZXLCID-UHFFFAOYSA-N	242.284	4.913	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C)c1ccccc1	2013263327	GTJPVXIOCHBXEU-HOCLYGCPSA-N	233.399	4.552	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CCCC1(C)CC1	2013308266	DMBXKFQTKFDDIJ-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H]1C[C@H](C(C)(C)C)C1	2013708913	VKJNSZFTGBUXRQ-XQLPTFJDSA-N	239.447	4.616	0	10	BJAE	
C[C@H](N[C@H](C)CCC(C)(C)C)[C@@H]1CCC1(C)C	2014943059	QZXWQCDJKVZSEL-RDBSUJKOSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CC(C(C)C)C(C)C	2015277920	KNAIGSCYIGKELX-HOCLYGCPSA-N	242.447	4.882	0	10	BJAE	
CCC(CC)CCN(C)CC1CCC(C)CC1	2019180306	BCDNJOKKFNVMFQ-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](C)N(C)C[C@H]1CC[C@H](CCC)CC1	2019305889	OYECRLCORQOXNV-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@](O)(C[C@H](C)C1CCC1)C1CCCC1	2019767489	LRGADWDZXIOOHH-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCN(CC1(C)CCCC1)C1CCCCCC1	2020502952	XIAOFJBYGYCRTP-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1C[C@@H]1C(C)(C)C	2022558922	AGDVLDCRLFFSDQ-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
O=C1CCCCCCCC[C@H]1CC=C1CCC1	2023204312	IJMSOGOVIQMEQL-HNNXBMFYSA-N	234.383	4.807	0	10	BJAE	
CC(C)[C@H]1CC[C@](O)(CCCCCC2CC2)C1	2025571594	CMMQJWFGJIABKY-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@](C)(F)c2ccc(N)cc2)C1	2027936339	OLNIUOZRDUPDOP-DMEJVMROSA-N	249.373	4.526	0	10	BJAE	
C[C@@H](C[C@@H](C)c1cccc(N)c1)C1CCCCC1	2027952536	CTYJPBOSFXTFRV-UONOGXRCSA-N	245.410	4.979	0	10	BJAE	
CN[C@@H](c1ccccc1C)[C@H](CC(C)C)C(C)C	2028255124	NIEIWVCHLCVMAF-SJORKVTESA-N	247.426	4.574	0	10	BJAE	
CCc1ccc([C@H](O)CCCCCC2CC2)cc1	2028619088	NNBSLVMKAAIIGF-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1CCC2(CC1)CC2	2028624662	BIGIWSRFAFETMT-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@@]23CCCC[C@@H]2CCC3)C1	2031800475	ZHIYWWJGIGANQM-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCCC1)NC1CC(C2CCCC2)C1	2033765878	BBKMGBOVFJRDFR-NVPAJSRCSA-N	249.442	4.514	0	10	BJAE	
CC(C)CC1([C@@H](N)CC2CC3(CC3)C2)CCCC1	2036757141	VYBULNXROMKLGM-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1	2037132042	YBCDFGILHMRCCG-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(C[C@@H]2CC=CCC2)CCC2(CCCCC2)C1	2037161381	BHRMCFIEFLOQJF-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CCC[C@](N)(CCC1=CCCCC1)C1CCCC1	2037172118	RIWDKDXCPRMRAO-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCN[C@@H](CC1CCCC1)CC1CC2(CCC2)C1	2037972877	RLVZJANCIQUETL-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@H]1CC12CCCCC2	2039079853	VMXNGLUEZJXZHF-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCC(=C[C@H]1C(C)=CCC[C@H]1C)CNCC(C)C	2039437193	RRDBPTYYTGVUEV-WBVHZDCISA-N	249.442	4.561	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H](C)c2ccoc2)CC1	2041502495	KAGSTRUQEIDEOR-LZWOXQAQSA-N	249.398	4.535	0	10	BJAE	
CC1(CNC2CCC(C(C)(C)C)CC2)CC=CC1	2042076980	WGTFPVDJNCOGKH-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1=CCCCC1)NCCCCCC1CC1	2043193240	GKERDHNFRKUKQR-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H](CC1CCCC1)C[C@@H]1CCC=CCCC1	2045316255	CEGRUCCGFGCKKH-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)[C@]1(C)CC1(C)C	2045326987	RWHVICJPSKDCRG-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)[C@]23CCCC[C@@H]2C3)C1	2045381901	OYJISVNWKOMDOP-FSDCSDTHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@H](c1ccccc1)C(C)C	2045681086	UANYWWPFZORUHS-DZKIICNBSA-N	246.394	4.678	0	10	BJAE	
CC1(C)CCC[C@@H](CNCC2(C)CC=CC2)CC1	2047721180	LMIHZBGULLYDHY-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@@H]1CCC12CCC2	2047929499	RGDIGRGCPXWUIN-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC12CCC2)CC1(C)CCC1	2047940533	VTSXUMGCSYPHMV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@@H]1CCC12CCC2	2047965055	LXUIWAATEDOFJW-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(CNC2[C@@H]3CCCCC[C@@H]23)CCCCCC1	2048386645	FLLGIJPNRLICJO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CC[C@@H]1C[C@H]1C=CCCCC1	2049342280	SSKKFMOOPGDYGB-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC[C@H]2C[C@H]2C2CC2)C1	2049514946	MHUWVXGYYNYBPA-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@@H]2CCCC23CCC3)C1	2049533439	RCZWRZCXLJADOM-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H]1CC[C@H](C)CC1	2049635720	ACZOTWMNKSMPNQ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
NC1(C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCCCCC1	2049676589	VHIBFAAOHCBBHG-OWCLPIDISA-N	249.442	4.645	0	10	BJAE	
CC[C@](C)(CNC1CC1)C[C@@H]1CCCC2(CC2)C1	2049848148	HISPQRFXMCKNKF-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CC1)[C@]1(C)C=CCCC1	2050006161	LEVMKAVGZYAOPF-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]3CC[C@H]32)CCCCCCC1	2052504179	DHLHQPMBZGIYIC-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@H]2CCCCC23CCC3)C1	2053359364	MZIQAGWLUSLSAG-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CNC[C@@]1(C[C@H]2C=CCCC2)CCCCC1(C)C	2053385170	QUBGXKKJVCITSX-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1CCC([C@@H](C)N[C@H]2C=CCCC2(C)C)CC1	2055528340	REVGXASTUULNBM-KNIAUWFNSA-N	249.442	4.536	0	10	BJAE	
CC1=C[C@H](N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CCC1	2055550330	SIZUUDSRBLVZSB-YLFCFFPRSA-N	249.442	4.536	0	10	BJAE	
CC1=C(C)[C@](N)([C@H]2CCC3(CCCC3)C2)CCC1	2055594313	CYUSUCYBCRGRLL-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)C2(C)CCC(C)CC2)c1	2056559015	NOXXGCNRHZJBAS-PTXATLKXSA-N	246.394	4.553	0	10	BJAE	
CC(C)C1CC(CC(=O)CC2CC3(CCC3)C2)C1	2056665351	BPOFRVALPWIDKL-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H]1CCCC[C@H]1C	2056880985	CFDODILWBZUNQC-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@]3(C(C)C)C[C@@H]23)cc1C	2058562030	IYICHGFBLNTGNE-BBWFWOEESA-N	243.394	4.540	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C)CC1)C(C)(C)C1CC1	2060920633	FYMZXNOUTFIBKI-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CC2(C)CCCC2)NC)CC1	2061141223	UCNASDVUWXVTFO-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@@]1(O)CCCC[C@@H]1C1CCCCC1	2061560008	ATRHKCFTJPHRRT-IAGOWNOFSA-N	248.410	4.609	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)CC1CC(=C2CCC2)C1	2061683207	VDLLZMILLPBGGI-DLBZAZTESA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1N[C@H]1CCCCCC12CC2	2062015845	BLECMRDZGULJKT-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)C1(C)CCC2(CC2)CC1	2062653988	XECYUUORNOONCU-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@@H]1C[C@@H]2CCC[C@@H]2C1)CC1CCCC1	2063423818	MLWUCDQMZQUOIX-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CC23CCC(CC2)CC3)C1	2065281843	KMYZNBDMHYFNDE-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)CC12CCC(CC1)CC2	2065333188	PKHGVFNYPDHJMN-VXLLPVPCSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc(C(=O)C2(C(C)(C)C)CCC2)cc1C	2071926430	PGTOVBGCMKIXIF-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc([C@@H](O)C2(C(C)(C)C)CCC2)cc1C	2071968380	FTDBBCFNEPUGAZ-OAHLLOKOSA-N	246.394	4.553	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@@H](NC)c2ccco2)CC1	2072802207	VUEHETRENILFFD-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)c2cc(C)oc2C)CC1	2072803082	DUEPLUGPWGLFOQ-IIAWOOMASA-N	249.398	4.503	0	10	BJAE	
CCCC1CCC(C=C[C@@H]2CC(C)(C)CN2)CC1	2072817547	DOIIOGKSEURDEB-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CC2CCC3(CCCN3)CC2)CC1	2072818696	OXMARHLOUJIYBW-OJHJNGDYSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H]2CCNC3(CCCCC3)C2)CC1	2074631269	HFTZHBIQFFSZGY-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNC1CC2(CCCCCC2)C1	2079446010	HJIHGVQRARUPRV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)c1cc(C)cc(C)c1C	2082949929	CXAFKDKMFZXCHD-CABCVRRESA-N	244.378	4.621	0	10	BJAE	
CC(C)(C)[C@H](O)CCCCCCCC1CC1	2210527830	WQYBQCVELWGZLW-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@]1(C)CC=C(C)CC1	2211858624	ZJUFUCPCUONQTO-HNNXBMFYSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213285598	RSASOPHUKDGRKX-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](O)[C@H]1CCCCCCC1CC1	2213579341	DTFAXWBPKRKURP-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
Clc1ccc2c(ccn2CCCCC2CC2)c1	2214573164	JYYGQELMITVXDL-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCCCCC[C@H](CCCCC1CC1)NCC	2214577163	AZINRDUWRCVDQQ-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@@H]2C[C@H]2CC)CC1	2215256802	SDXBLHAIYJTCLA-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
NC[C@H]1CC[C@@H](CCCCCCCC2CC2)C1	2216890061	DZYUFPJRWHITQY-CVEARBPZSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](C)C1(CN[C@@H](C)CC)CC(C)(C)C1	2217124988	LSQPJMCZKJZLJE-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NCC(C)(C)C[C@@H](C)CC(C)(C)C	2217137326	BIYGVZQALDGLLY-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@@H](CCC(C)C)C1CCCC1	2217156270	JTYFYZMXYOAMIW-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218334427	UPYLCHIOMNWXBO-NHAGDIPZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C(C)C)C1C[C@H]2CCC[C@H](C1)C2	2218350051	JQRFAFQUCWAGAB-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218379504	DWGNHYALGYYINY-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CCN(CCCCCCC1CC1)c1ccccc1	2218730942	HNFWBNIQADVYHK-UHFFFAOYSA-N	245.410	4.873	0	10	BJAE	
CC1(C)CCC(NC2CCC(C3CC3)CC2)CC1	2218896681	LKNUOOGRYSQXOS-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC1(C)CC(C)(C)C1)[C@@]1(C)CC=CCC1	2221037760	FBELXMIVWVNFCW-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(N)C[C@@H]3CCCC[C@@H]3C2)C1	2221041944	VLGCGXUZUKTVFU-HALDLXJZSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)C[C@@H]2C=CCCCC2)CC1	2221626170	RJKURUUONZTNES-IKGGRYGDSA-N	247.426	4.587	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2CC[C@@H](C(C)C)C2)CC1	2221645852	NJFLKCOVRMAONZ-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)c2c(C)cc(C)cc2C)C1	2221934510	AUUUTFQZRPGQTK-CABCVRRESA-N	244.378	4.621	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@@H](C)c1ccc(C)cc1	2223964833	ZQPZVOUGMFQUGJ-DOTOQJQBSA-N	247.426	4.513	0	10	BJAE	
CCCCCCNc1c(F)cc(Cl)cc1F	2243353072	OTSVJWXHCPGDBJ-UHFFFAOYSA-N	247.716	4.610	0	10	BJAE	
CCCCC(=O)CCCCCC[C@H]1C[C@@H]1C	2243883013	BFKLITDJMJMJLI-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](CC)c1cccs1	2244799259	ATRHWCHFQWPKPA-OLZOCXBDSA-N	239.428	4.615	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)C2(C)CC=CC2)C1	2246658187	AEMYUMPGHASVPT-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CC[C@@H]1CCC[C@@H](C)C1	2246664595	PREBKPOFBSMTNJ-QXSJWSMHSA-N	239.447	4.602	0	10	BJAE	
CCC[C@](O)(CC1=CCCCC1)C1CCCC1	2247462677	OVVIMEHVFUKRJO-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@H]1CCCC12CC2	2247664417	GTMNUBLVFCVOGQ-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC[C@@](N)(CC[C@H](C)CCCC(C)C)C(C)C	2250473951	FZEIWVJARGXHHM-HZPDHXFCSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CC(CCN)C1	2250520197	ZSSNLWUYYFXPAQ-IURRXHLWSA-N	237.431	4.524	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H]1C(=O)C(C)(C)CCC1(C)C	2251707568	MTBJFUVHCWOLCI-AVGNSLFASA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)CCCC3(CC3)C2)C1	2253998113	SZCOIGLTBUMIGJ-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC1CC2(C1)CC(C(=O)[C@@H]1CCC[C@@H](C)CC1)C2	2254447606	KYGOANONBYNLIK-KUTSYARCSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](NCCCC[C@@H]1C[C@H]1C)c1ccccc1	2254535423	PVIADVXKNWKCIU-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
Cc1cccc([C@H](N)CCCC[C@H]2C[C@H]2C)c1C	2254609075	LUZYBPMJUHIZGU-UKPHBRMFSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC[C@@H]2CCCC23CC3)C1	2255223028	FPWIFMDFCOFLOQ-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C[C@H]1CCCC12CC2	2255231280	AXUQILJFMSEKLA-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@H]1CCCC12CC2	2255250703	YUZLCSVUGOVXAV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1C=CCCCCC1	2256116008	URGMDSAALSHYTQ-AWEZNQCLSA-N	247.357	4.689	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CC[C@H](C)C[C@@H]1C	2256142172	PEQJAEFABANVJE-SLEUVZQESA-N	249.373	4.625	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@]12CCCC[C@@H]1C2	2257285946	ZOXURNBAEQUVNR-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H]1CNc1cc(C2CC2)ccc1F	2259112310	FSFAJGZSGJNIMC-CYBMUJFWSA-N	247.357	4.551	0	10	BJAE	
C1CCC(CCCN[C@@]23CCCC[C@H]2CC3)CC1	2260607903	BPMXGYKCTOMBLA-DLBZAZTESA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(OCC2CC(CC(C)(C)C)C2)cc1	2261247135	OVNCNQYDHWRRSJ-UHFFFAOYSA-N	246.394	4.836	0	10	BJAE	
CC(C)=CCCC(C)=CC[C@@H](N)C1CCCCC1	2294708076	TYKZEBDQWJLYGF-QGZVFWFLSA-N	249.442	4.977	0	10	BJAE	
CCC=CC[C@@H](C)c1cccc(Cl)c1	2296091122	OABMNFGOOAAHBF-LLVKDONJSA-N	208.732	4.800	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)C[C@@]12CCC[C@@H]1CC2	2298724470	XFASEXQMMYZDMD-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)CCC1CCCCC1	2298950229	RKSCBROAUYBTSR-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C1=CCC(C)(C)CC1	2300501361	MGDSHPBYRYAEOT-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@H](C)C1CC1	2300676322	NHSCMKZWMHCZJX-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@]1(CN)CCC[C@@H](C)CC1	2300696662	GLXVICJDNLRTBE-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
CC=CC[C@H](NCC)C(C)(C)C1CCCCC1	2300882739	XFTUPLXXBGTUSZ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC1CC(N)(CC=C(C)CCCC(C)C)C1	2300893703	VTLOSCDOVWDHRE-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CC[C@H](N)C1(C)CCCCCCC1	2300907764	WFJSHZZXCLPWGD-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
C[C@H]1[C@@H](C(=O)C2(C)CCCCCC2)CC1(C)C	2302135195	KGNNHDXBBLTRJQ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1[C@@H](Nc2ccc3sccc3c2)CC1(C)C	2302137847	AYNNLHUWUXYPEV-MFKMUULPSA-N	245.391	4.748	0	10	BJAE	
CC(C)(C)[C@@H](N)CCCCCC1=CCCCC1	2302353939	LZWZWGHAEYANLX-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C[C@@H]1CCC(C)(C)C1	2302747526	FGOAKHPSFMSHRM-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCc1cscc1NC(CC1CC1)CC1CC1	2302884425	FFZOGOAKOBGCNO-UHFFFAOYSA-N	249.423	4.691	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@H]1CCC(C)(C)C1	2302905356	QHPBEYLXRCGEII-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CC[C@H]1C(C)(C)C	2303397282	SNWNXATYTCAYQY-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@](C)(N)CCC2CC2)C1	2304447600	PMPQOJHMTQNFHL-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@H]1CCCC2(CC2)C1	2307829773	WYOGPJLYNZPURZ-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)[C@H]1CC1(C)C	2307892705	FQDONOBSSVHVJV-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCC[C@@H]2C[C@H]12)C1CCCCC1	2308616931	FEFHAHMQMNCDKL-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CCC[C@@H]3CCCC[C@H]32)C1	2311968793	FILXRPZSONQAKQ-MWDXBVQZSA-N	249.442	4.610	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@](N)(CCCCC1CC1)C2	2312408481	SMILTQWCDROYNV-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313342381	LFEDGBQRDITBNH-VVLHAWIVSA-N	249.442	4.645	0	10	BJAE	
CCc1cc(C(=O)[C@@H]2CC[C@@H](CC)C2)ccc1C	2314636436	NXENHQGNULKTHT-UKRRQHHQSA-N	244.378	4.566	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1ccc(C)c(CC)c1	2314712604	QHPTWRBQDUOGFE-WMLDXEAASA-N	247.426	4.774	0	10	BJAE	
CCC(CC)CCN1CCC[C@@H]1c1ccc(C)o1	2316241483	UQGCKFQUFUYEST-OAHLLOKOSA-N	249.398	4.551	0	10	BJAE	
CC(=CCN[C@@H]1CCC2(CC2)C1)CCCC(C)C	2316491549	PNNJCJRXTOAIFX-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
O=C(CC1CCCCCC1)C1(CC2CCC2)CC1	2316878659	AMODGZYOQCFMPR-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CN(CC1CCCCCC1)C[C@@]1(C)CC=CCC1	2316882763	CHCAXDNEMBGPLL-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
C[C@@](N)(CC1CCCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2	2316885325	QEGYADRVYVIFQU-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)C1CC(C)C1	2318576449	PBVDGIHZPQWUTF-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@@H]2CC[C@@H]2C2CC2)C1	2319748592	KKFURXZLQWJRJO-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320201745	PYXIRVVNRHYIFS-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(N)CCCC2(CC2)C1	2320255364	NMPXLYLNBFRROC-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CCCC[C@@]2(C)O)c1	2327681108	IYCWMQYSYSDRNW-DLBZAZTESA-N	246.394	4.527	0	10	BJAE	
CCCCCCc1ccc([C@@H](C)C[C@@H](C)O)cc1	2327894701	VPXSOQKHLXUUGJ-LSDHHAIUSA-N	248.410	4.684	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@H](C)C1	37117262	QFAIANLEWQPJGK-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CCCCCCNc1ccc(O[C@@H](C)CC)cc1	66171120	IWFJAVXPNYAZDZ-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CCCC[C@H](CC)CCC[C@H](N)CCC	70741833	OKDAWULMBQRCGL-UONOGXRCSA-N	213.409	4.501	0	10	BJAE	
CCCOc1ccc(C(=O)CCC)cc1C(C)C	71452640	OIKAFXSXFBZIOO-UHFFFAOYSA-N	248.366	4.582	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccc3c(c2)CCC3)CC1	86878829	BZXWWNRYJSNISI-CZUORRHYSA-N	243.394	4.556	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cc(F)ccc2C)CC1	86893937	ULHJCIHYEXQGDF-HIFRSBDPSA-N	249.373	4.905	0	10	BJAE	
CCCCC[C@@H](NCC)c1sc(C)cc1C	88047736	MTDSXSMEGOGNFU-CYBMUJFWSA-N	239.428	4.596	0	10	BJAE	
c1ccc2c(c1)CC[C@H](CCC1CCCCC1)N2	104156671	ULZIPKOBIIIXBW-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
C[C@@H](N[C@H](C)C(C)(C)C)c1cc2ccccc2o1	122466125	CWALSANZHNGJEL-VXGBXAGGSA-N	245.366	4.518	0	10	BJAE	
CCCCCC(=O)c1cccc(C2CCC2)c1	128770124	LOLYCLYMVMXJCT-UHFFFAOYSA-N	230.351	4.717	0	10	BJAE	
CCCc1cccc([C@H](NCC)C(CC)CC)c1	131550764	JFVSPAUQGVSQGI-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@@H](N)CC[C@H]2C	136910769	REBWOPMSCJCNBZ-WBMJQRKESA-N	245.410	4.831	0	10	BJAE	
CCCC1([C@@H](O)c2cccc(C(C)C)c2)CCC1	145972973	XCJZRIFDGBNZJU-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CC1(c2ccc(Cl)cc2)CCCCC1	147268867	QTEUFKYTQDRDOM-UHFFFAOYSA-N	208.732	4.562	0	10	BJAE	
CCC(CC)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	148905373	WZKPHRVBKMXYAD-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@H]1C[C@@H](C)CC	155805626	WIVKKTNSUVEAPL-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NCCCCCCC(C)C	163778835	KXCJTIFVVYEZOB-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cc2ccccc2s1	165074854	DUAMHPZNCABLOA-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
CCC(CC)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O	167552667	BIZAOKJYTXMTCF-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](O)(CC2CCCCC2)C1	203677499	SLVOYCHHDCGWIH-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](c1ccccc1)C(CCC)CCC	211860959	ZPAHABKEGAGSCJ-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
CC(C)CC[C@@H](C)NCC[C@H]1CCC[C@@H](C)C1	226859529	VSGDLXUGIUAUKB-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)NCCCCc1ccccc1	228440554	PSQMSRKWIBGCMB-UHFFFAOYSA-N	247.426	4.568	0	10	BJAE	
CC[C@@H](NCCC1=CCCC1)c1ccc(C)cc1	228571691	WWCPEWVWABBWPY-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)CC1CCC1	229688992	JOCJJOUUDUFOIV-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCC[C@@H](CC)Nc1c(F)cc(F)cc1Cl	233288719	XSXAYHJZYIVFSH-SECBINFHSA-N	247.716	4.609	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C2(C)CCCCC2)cc1C	235874701	JZMJRYUXNHIOTA-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
CCCC[C@H](CC)[C@@H]1CNc2ccc(F)cc21	300256067	CBCJSTDIPDKXJV-FZMZJTMJSA-N	235.346	4.551	0	10	BJAE	
CC(C)(C)CCCNc1c(F)cccc1Cl	300848383	KRUNTRWUQDHNFN-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1/C=C/CCCCC1	302279350	IRIICLJCTOTFCG-DYLGSBMWSA-N	249.785	4.949	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(O)CCCC(C)(C)C)c1	305902114	CDRQZMSAHDRDFN-KRWDZBQOSA-N	248.410	4.727	0	10	BJAE	
CC(C)(C)CCC[C@H](CNC1CC1)C(C)(C)C	305913470	JHANMNZKQOUFGP-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)[C@H](CC)CC(C)C	308053923	AOQKAZFTDBPVEB-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)Cc1cccc(C)c1	308109192	LXEMYWSPDVSPBG-INIZCTEOSA-N	246.394	4.569	0	10	BJAE	
CC1(C)CCC(C[C@@H](O)C2(C)CCCC2)CC1	310556857	YSLLNMNBDHFYFL-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@H]2Nc3ccccc3C[C@@H]2C)CCC1	310950166	LVWULMFKJMJRIC-XJKSGUPXSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC2CC2)(CC2(C)CCC2)C1	318416221	MRMSWRMDERLINC-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)CCC1CCCCC1	319853895	NSDPDYFYIPYKKE-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](NC(C)(C)CC(C)(C)C)C1CCC1	322242196	AMNFTUPAJQPZCT-CQSZACIVSA-N	239.447	4.760	0	10	BJAE	
CN[C@H](CCCCCC(C)C)CC1CCCC1	383323931	YEDKZZJJKXCWFS-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@H](O)C[C@@H](C)C(C)(C)C)c1ccccc1	384340668	XJFUHOBGLUNYFH-FMKPAKJESA-N	248.410	4.613	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc2ccccc2c1C	384672414	DGJXFLXFKRTNAF-GFCCVEGCSA-N	240.346	4.767	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CCC1CCCCC1	384959229	HCDXOTXQRKYEQW-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCC1(C(=O)c2ccc(C(C)(C)CC)cc2)CC1	385116309	ATLFGSUUSDBZJX-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H]1CCCC1(C)C	389000571	QOZHJDKPRJAGGX-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H](CNc2c(C)cccc2F)C1	394504793	FCANIVVQDUBFRD-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
CCC(CC)c1nc(-c2ccccc2)cs1	395178425	CZCDAVCKFRUOJI-UHFFFAOYSA-N	231.364	4.714	0	10	BJAE	
CCc1c(C(F)F)c(S)cc2sccc12	396236516	HNMZRGORMPKFAV-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1c(F)c(C(F)F)cc2ccsc12	396254388	SYKOXCHYLOOEMQ-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cc(C(F)F)c2scc(S)c2c1	396260084	YRBXXSVQYAEGGU-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCC[C@@H](N[C@@H](C)CCC1CC1)c1ccccc1	398031268	JYAJPIIQVNCLPE-WMLDXEAASA-N	245.410	4.696	0	10	BJAE	
C[C@@H](COc1ccccc1C(C)(C)C)C1CCC1	398659231	NXRTWUAATZJMSH-ZDUSSCGKSA-N	246.394	4.799	0	10	BJAE	
N[C@H](CCCC1CC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	405755075	HEHWASGSPRGKGW-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@@H](N)CCCC2CC2)CC1	406058939	LPWCETICEWDBQL-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@@H]1CCCC1CCC1	688375674	VBLIPLZBUPEJTQ-CZUORRHYSA-N	243.394	4.630	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CCCC2(C)C)c1	688900595	QEFNZSHPNNJOBK-HNNXBMFYSA-N	244.378	4.819	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)CC1CCCC1	689768106	RCRPUCICLLGIPN-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CCCC3(CC3)C2)CC1	695918314	QIVOGPGDYVCJJD-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CC(C)(CC[C@H](N)[C@H]1CCCC2(CC2)C1)C1CC1	695958897	RMHLGFPFQGRARJ-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCCn1ccc2cc(Cl)ccc21	697791820	WGWOUXBPJDIGTR-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
CCN[C@H](c1ccc(CC)cc1)C(C)(CC)CC	701130468	HJXBUXCWDOCRBX-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCN[C@@H]1[C@H]2CCCCC[C@H]2C12CCCCCC2	701855458	CJJODEIUCQYKHE-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C(=O)CC1CCC(C)(C)CC1)C1CCC1	703215311	KZNIEUUNSPOVPK-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)cc(NCCCCC(C)C)c1	703977839	ZBFQITBBMNPGDV-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
Cc1ccc(NCCCCC(C)C)cc1Cl	707371938	CGAJGMMQAHMFBO-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(O)CCCCC[C@@H]1C(C)C	709209262	CHLUUHYNACYPRL-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1	710058979	YGBJXHCLRQBXGY-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(N[C@@H]2C[C@H]3CC[C@H](C3)C2)CC1	711168316	PRTUGXRDKZLYHX-IKIPUTRUSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](c2ccccc2)CCC1=O	713302433	MFNXSYJAOSXJGD-HUUCEWRRSA-N	244.378	4.576	0	10	BJAE	
C=C/C=C\CC[C@@H](NCC)c1cc(C)c(C)s1	713689208	YEHQJKMERFNDLY-WBTMPAOCSA-N	249.423	4.538	0	10	BJAE	
C/C=C/[C@H](C)Cc1ccc(CC(C)C)s1	714533601	USSYQFITWYYXNC-FYJFLYSWSA-N	222.397	4.701	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)c2ccc(C3CC3)s2)C1	716568273	YJYCCSUHPPZZFQ-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
CC(C)C[C@H]1CCC[C@H](NC2CCC=CCC2)C1	718052724	MEAQTKAELSTHTN-WBVHZDCISA-N	249.442	4.680	0	10	BJAE	
CC(C)=C(C)CCC1(C(=O)O)CCCCCC1	718792134	OKGFDDVBYUCARO-UHFFFAOYSA-N	238.371	4.548	0	10	BJAE	
CCCCCC[C@]1(N)CCCCCC1(C)C	719188183	AISVMEDBUNXHLF-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H](C)C1CCCCC1	829283468	FXXZLAQBOCSVMR-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](NCC2CCC=CCC2)C1	1203783505	UNEGAKAAVSJKCU-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)Sc1nc(C(C)C)cs1	1644057991	FMZNHWPZORQBOO-UWVGGRQHSA-N	243.441	4.793	0	10	BJAE	
Cc1ccccc1-c1nc(C)c(C(C)C)s1	1901092786	LMJWDZGBPGQPFG-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
Cc1ccc2oc(CCCC(C)C)cc2c1	1901885774	ZSDOWFGTWUDEBU-UHFFFAOYSA-N	216.324	4.720	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CC)C[C@H](C)CC	1905352778	FEBBINHYCKQPTK-ILXRZTDVSA-N	227.436	4.747	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@H](C)C(C)(C)C	1907595012	VBPGBFOCGGTJNL-MELADBBJSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCC2(CCCCC2)C1	1915857147	HATUYUZOJQMSAQ-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H]1CCC2(CCCC2)C1	1916416171	WYBKVZPORKKQHO-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
N[C@@]1(CCCCCC2CC2)CCC2(CCCC2)C1	1916416949	FRRMUINXFISZHI-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1CC(CCC)C1	1921293817	FWFOBZFGLWLEAP-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CCNC(C)(C)C)C[C@@H]1C=CCCCC1	1925890395	FIIPGXXRTCHJFG-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCNc1cccc(C2CC2)c1	1926210380	UCNJPKTZTKGDET-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CC[C@H](C)c1csc(-c2ccsc2C)n1	1930058641	CQPKJDRDKWULMY-QMMMGPOBSA-N	237.393	4.694	0	10	BJAE	
Cc1cc(CC[C@@H]2C=CCC2)ccc1Cl	1932594089	YHBLMROTSXTAGU-GFCCVEGCSA-N	220.743	4.547	0	10	BJAE	
CC(C)[C@H]1CC=CCCC=CCC(C)(C)C=N1	1933288831	BUAVBORLHRCLMY-OAHLLOKOSA-N	233.399	4.794	0	10	BJAE	
CC[C@@H](CN[C@H]1CCCC(C)(C)CC1)C(C)C	1941934543	LAVKOLNTXFWECY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]([C@H](C)CCC(C)C)C1(CC)CC1	1942654165	YAUPCGWKKWTKIM-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](Nc1cccc(C2(C)CC2)c1)C(C)C	1944599551	DZJSJNBWFGFNQT-HNNXBMFYSA-N	231.383	4.585	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)C(C)(C)C(C)C	1944668179	KWOPQGMPCUVRTB-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)C(C)(C)CC	1944819927	KPGSTQNMHNPZFI-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H]1CCCC(C)(C)C1	1947470709	VJPHTJMVGNVZPT-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CC(=O)C[C@H]1C=CCCC1)C(C)(C)C	1947558790	MPNGIRDZRREEFT-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC(C)(F)F)NCCC	1947989126	VNESIDCJCQSUMZ-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)CCC(C)(C)C1CC1	1948321626	NELJDAWGDNLPAH-BBRMVZONSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)C1CC(C)(CC)C1	1948406735	DVLRUPPBVZDKMP-UIDBIOKJSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948586985	PNWZHCXBAFBZHZ-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@H](N)CC2CCC(C)CC2)CCC1	1948924740	PDKIRSKHVSJBIP-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CCCC1(C)CC1	1949056060	VPILEYCVLSMASU-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@@H]1C=CCCCC1	1949139175	JWSHDAFUHAGFGS-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC1CC2(CCC2)C1	1949837019	GGQQGIXGGXUWHH-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C(=O)c2ccc(Cl)s2)CCC1	1959884681	ZKPIYBXGEVUTJJ-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
Cc1cccc(NC2C[C@H]3CCCC[C@@H]3C2)c1F	1965896167	KMFPAKKSCZQLCC-CHWSQXEVSA-N	247.357	4.515	0	10	BJAE	
C1CCCC(N[C@@H]2CCCC3(CCCC3)C2)CC1	1967855374	JQXIZXBRUSZMON-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CC[C@H](C)c2ccccc21	1970821469	IGHITQNVGLCYRV-GRDNDAEWSA-N	245.410	4.651	0	10	BJAE	
CCC[C@H](C)CN(CC(C)C)C(CC)CC	1971359181	ORTGPQYYDDDXQD-AWEZNQCLSA-N	227.436	4.569	0	10	BJAE	
CCCC(CCC)CN[C@H](C)C[C@@H](C)CC	1981289984	OQWHQMDDGKMVEB-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CC[C@H](C)CC1	1989836724	JPLWAYPYWFLVKG-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCC(=O)CC1(C(C)(C)C)CCC1	1993587526	LMMPPVZUVOEIJL-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC1(C)CCC1	1995253276	FREHSFMWPNXNEX-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(O)CC1(C)CCCCC1	1998741887	BQMWTCKGDZNRBE-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@@H]1CCC=CCCC1	1999992872	IXEMZRGWPGMQJQ-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)(CC)C(=O)CC(C)(C)C(C)(F)F	2000214668	GMJVVINQNRREIQ-UHFFFAOYSA-N	248.357	4.843	0	10	BJAE	
CCCC[C@@](C)(CNC)C[C@@H]1C=CCCCC1	2000519686	YLVWFQKVVTWMCQ-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)C[C@H]1C=CCC1	2000520605	MIDYDPCSLFFUBD-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](C[C@@](C)(N)C2CCCCC2)C1	2002921015	KOJAAJMHMOHXJO-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@@]1(C(CC)CC)CCCC(C)(C)C1	2002971988	MLFJFJZZACLENF-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C[C@H](NCCC(C)(C)C)[C@@H]1CCCC(C)(C)C1	2003004748	HMWAXFWYVAOZMF-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@@H]2CCCCCCC2=O)CC1	2003118255	QVRHOGRKYLYBPT-NRXISQOPSA-N	236.399	4.742	0	10	BJAE	
CCC1CC(C(=O)C2(C)CCCCCCC2)C1	2004942695	WEEUFOVEZJDRMA-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@@H](CC(C)(C)CC)C1	2006622047	COSOVMRJJODZHE-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCO)C[C@@H]1CCCCC12CCCCC2	2008715202	DXVMYEQERWZNJL-GJZGRUSLSA-N	238.415	4.536	0	10	BJAE	
CCCC[C@H]1NCC[C@H]1C1(C)CCCCCC1	2009773124	VUERDLXRASYJEN-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)C1=CCC(C)(C)CC1	2010763522	LMIUNBKVGMUASI-GXTWGEPZSA-N	237.431	4.523	0	10	BJAE	
CC(C)[C@@H]1CC=C(CC(=O)c2cccs2)CC1	2010784501	ZFWHITQCZWPFCS-CYBMUJFWSA-N	248.391	4.703	0	10	BJAE	
CCCC(CCC)C(=O)CC[C@@]12CCC[C@H]1C2	2011010757	JDSHJFKLKIRACH-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)[C@H]1CCC1(C)C	2014883171	VEVRHFNGPWXNMJ-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](O)(CC1(CC)CCC1)[C@H]1CC1(C)C	2015600229	ZHDUZZYCJVAOIP-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](O)C2CCC(C)CC2)CCC1	2015640969	YQKFKRFOTNDWMB-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](O)CCC1CCC(CCC)CC1	2017720679	TZIZEHLPVGAHAA-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017722220	OMKSOZAPJBDWKC-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](C)[C@@H](CC)CC1CCC(CC)CC1	2017722277	PCIVFCVNCDHIPN-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC)C[C@H]1CC[C@H](CC)CC1	2017725663	TYTQLMFVNBATQA-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)CN[C@@]1(C)CCC(C)(C)C1	2017912638	LXNTXOMDFUXIRU-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)NC1C(C)(C)CCC1(C)C	2018077084	LTFYQUQANUCPQX-CYBMUJFWSA-N	239.447	4.760	0	10	BJAE	
CCCC1(C[C@@]2(O)CCC[C@H](C(C)C)C2)CC1	2018980645	RXDHXXSKBIPISY-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H](C)C1(C)CCC1	2019339860	GWQPKZZZCRVGRS-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@@]1(N)CCC[C@@H](C(C)(C)C)CC1	2020908157	QJIRQXCNFQAEDC-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CC=C(CC)[C@H](O)C1CC(C)(C)CC(C)(C)C1	2020974838	UWKCOQRGBCBBAL-AWEZNQCLSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CCC[C@@H]1Nc1ccccc1C1CC1	2021026541	WXXWJLKSTHTCER-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CC1CCC(C)(C)CC1	2022410949	DCXRGBJOPUSVRI-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@H]1C[C@H]1C(C)(C)C	2022448042	KPAHEPZIFMKIHQ-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCCC[C@@H]2O)C1	2024116534	IFNHKYJNMKWAHS-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
c1coc([C@H]2CCCCN2C2CCCCCC2)c1	2026874377	RULNRMGFYYZDBS-OAHLLOKOSA-N	247.382	4.529	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CC2(C)CCCCC2)c1	2027311046	HDHRNGPHPZNVBJ-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
CC(C)c1ccccc1C[C@@H](O)CCC(C)(C)C	2027464649	CHOWQRPZVKKVMQ-HNNXBMFYSA-N	248.410	4.540	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)C1=CCCCC1	2027815196	MEFIPZSOBJPQIP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)C1(C)CC(C)(C)C1	2029111824	LAZNHPXDWHWKSZ-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1C[C@H](C)C[C@@H](C)C1)c1ccc(N)cc1	2031800891	IUAKVYXMGIJMOY-MCIONIFRSA-N	245.410	4.835	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C[C@@H](C)C1CC1	2032159412	PHTSRLKCPAPBRS-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CC[C@@H](CC)C1	2035591570	LWKYWPGSAPTTMP-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(C[C@@H](C)CC(C)C)c1cccc(C)c1	2037107059	USHIRVGLFSSVIX-DOTOQJQBSA-N	247.426	4.631	0	10	BJAE	
CC[C@@](N)(CCC(C)=C(C)C)c1ccc(C)cc1	2037168824	LVQVXYCIPFJMFG-QGZVFWFLSA-N	245.410	4.696	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1ccc([C@H]2C[C@H]2C)o1	2037169479	VRFLSMMGNXGBSP-HZSPNIEDSA-N	247.382	4.539	0	10	BJAE	
CC1CCC2(CC1)CC(NCC1CCCCC1)C2	2038933730	OGJFWYISBWQQRZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCCC1)C1(CC)CCC1	2039726850	PDZKNASEFGPBBR-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CN(CC1(C)CCCC1)[C@H]1CCCC2(CCC2)C1	2041292223	FVTUCLYIWBOKQE-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
O[C@@]1(C2=CCCCCCC2)CCCC2(CCC2)C1	2041300701	QYGSRMFCQKZEIK-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)c2cccc(C)c2)CC1	2041373334	TWWNJRVYTBTEES-INMHGKMJSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C1(CCC)CCC1	2045816254	QEPQQKXYSNYGLY-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CCCC12CCCCCC2	2046561457	GEKMBYOIFLVLHV-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
C[C@H](NC1CC2(CCC2)C1)[C@@H]1CCCC(C)(C)C1	2049535639	GRRDAAKPISUTHQ-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC1CCC1)[C@H]1CCCCC12CCC2	2053421103	QCWWRNRCELCYBX-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CC(CNc2cccc(C3CC3)c2)C1	2056725051	HHDFYIATGSEHBU-UHFFFAOYSA-N	243.394	4.658	0	10	BJAE	
Cc1cc(Sc2ccccc2)cc(C)c1F	2060341665	BWHBSDQJUGXLAV-UHFFFAOYSA-N	232.323	4.594	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C[C@@]12CCC[C@@H]1C2	2061615561	GPXBEYNKQZHLEM-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C[C@@]12CCC[C@H]1C2	2061617138	NPJFEBQJJANZLC-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C)[C@@H](CC1CC(=C2CCC2)C1)C(C)C	2061738025	XYGMIXLWPGPGNI-DYVFJYSZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063501164	MSMBQXVOEYSUMH-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](Nc1cc(C)ccc1C)c1occc1C	2063670560	DQZXDFRHHNOABO-AWEZNQCLSA-N	243.350	4.768	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)C23CCCC2CCC3)C1	2063812869	KIDXJYQQBPTVKG-UWEUSHKOSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1CC2(C1)CC21CCC1	2064128203	WOWGXLJGVLTMCF-CBCUQQMYSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1N[C@H](C)C1CC2(CC2)C1	2064497799	NFHSKOJOASZCGB-CYBMUJFWSA-N	243.394	4.630	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C[C@@]1(C)C[C@H]1C	2070954741	KECMDBKPUBOEGV-CXAGYDPISA-N	244.378	4.504	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@H]2CCCC3(CC3)C2)CCC1	2071950871	QTQARSMQKVIASL-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)C[C@H]2CC[C@H](C)CC2)C1	2072872800	GVZXMLGFFBAPCY-RRCSTGOVSA-N	248.410	4.764	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	2074596058	XHPXIPJBGJPNPH-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H]2c3ccccc3NC[C@H]2C)CC1	2074637678	XURABROFFYKQBR-UKRRQHHQSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@H](CCC1(CCC)CC1)c1ccco1	2074639159	LMHABSOSFUMTKN-CQSZACIVSA-N	249.398	4.681	0	10	BJAE	
CCCC1(C[C@@H](N)C23CCC(CC2)C3(C)C)CC1	2074648622	KWCODUGXIJUANC-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@H](C)C1(C)CCCC1	2074779599	FRLUELFLKOCNQW-LSDHHAIUSA-N	245.410	4.648	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CCCC23CCCCC3)C1	2074888305	JPNQHKGBDTZZTA-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC[C@@]2(C)CCC[C@H]12	2074896101	NETQRXKIJHUZSR-LTIDMASMSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H]1[C@H](C=C2CCCC2)CCCC1(C)C	2076403440	YJPFCZOCKKEMJS-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H](Nc1cccc2ccccc12)C(F)F	2077236752	BSMCUUOCJBLGFV-AWEZNQCLSA-N	249.304	4.541	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](CC)CC1)[C@H]1C[C@@H]1CC	2079219273	CQJNMTQMTUWOLH-OTRWWLKZSA-N	249.442	4.537	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@H]1C[C@@H]1C1CCCCCC1	2079519098	MELCSTYAAZMWDN-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC[C@]1(C[C@H]2C[C@H]2C2CCCCCC2)CCCN1	2079624295	BKYCDLOKYONOCY-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCC1(NC[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079648673	BTZFEHJZQDTKHV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@@]1(N)CCCCC12CCC2	2079661621	QFQOYSFSZSUPQJ-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C=C(C)[C@H]2CC[C@@H](N)CC2)CC1	2082138805	FIWDUVBRHDREPL-UCUFBTAOSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1[nH]c(C)c(C)c1C	2085941051	NLVVKTRMOHQLCS-NSHDSACASA-N	249.398	4.729	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1scc(C)c1C	2210579200	VODFZYMHACYXSH-ZDUSSCGKSA-N	238.396	4.535	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)CCCCCCC1CC1	2213582837	MAOVBWPTSYAWJY-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@@H]1CC[C@H]1C	2214936343	WMRALTPSISNMBU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2(C)CC(C)(C)C2)C1	2215441778	ZOSMUJCAQQQPLK-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@]1(N)CCC[C@H](C(C)(C)C)C1	2216247254	KKMCTIXFHUKKFD-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](O)(CCC2CCC2)C1	2216253939	WDNJIMVZGXOMRE-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CN(C)[C@H]1CCC[C@@H](C(C)(C)C)C1	2216258622	QLODHHSPRHNVOS-ZNMIVQPWSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CC[C@H]1C(=O)CCCCCCCC1CC1	2216863565	QAIBWJWAWJFHGD-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C2C[C@H]3CCC[C@H](C2)C3)C1	2218340114	PFQDDHUPKPYRAN-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1(C)CCCC1	2218341172	VSCSNXSODKMABM-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC1(CCC[C@@H](N)[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218352117	UTQJRNRYKDUBBW-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
N[C@H]1CCCC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218365173	KZBXZQVWPRRRMS-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)NC1CCC(C2CC2)CC1	2218867715	JVNHJNGIDWHBGH-OOHWJJMZSA-N	249.442	4.680	0	10	BJAE	
FC(F)c1ccc(CC=Cc2ccccc2)cc1	2219074585	SYTVNHXIKQGRNB-UHFFFAOYSA-N	244.284	4.880	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@H]1C[C@H]1C1CCCCC1	2220043664	BAKBIPOEBCVKAQ-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@H]1C[C@H]1C1CCCC1)C1CCCCC1	2220303886	WCIHIOHBTWRFBO-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC1(CCC(=O)c2ccccc2)CC2(CCC2)C1	2221083931	OFWMFVLDUONRAD-UHFFFAOYSA-N	242.362	4.620	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1cccc2ccoc12	2224198832	VWUNJMPRAYKEDM-AWEZNQCLSA-N	246.350	4.683	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)CC(C)(C)C)C1	2242770876	TYFDPBBAKGKBLU-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)C(=O)CCCCC[C@H]1C[C@@H]1C	2243886627	WGJYCWLMAJEGTL-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCC[C@]1(CC[C@@H]2CCC[C@H](C)C2)CCCN1	2246729900	UXTALGXAVBJNRQ-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@](C)(O)C1(C)CCCCC1	2247350936	VQESFWSQUJXONK-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNC1CCCCCC1	2248864226	BKFOTVQOSNZUFK-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CCCCC[C@@H]1C[C@@H]1C	2248867882	YDLCZQKXMJCJKJ-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
Cc1cc(N[C@H](C)CC2CCC2)cc(C)c1C	2249488287	WECXONKXDKFNHK-CYBMUJFWSA-N	231.383	4.602	0	10	BJAE	
CC(=CC[C@@H](C)CCCC(C)C)[C@H]1CCCN1	2250514065	LZOPVAVXSYHUFB-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C=CC=CCCNCC[C@H](C)CCCC(C)C	2250524198	NUTZFUASFJTXBO-MRXNPFEDSA-N	237.431	4.561	0	10	BJAE	
CNCCC(C)(C)CC[C@@H](C)CCCC(C)C	2250527418	ISBMTUFZBPUHAE-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
Cc1ccc(C(=O)C[C@]23CCCC[C@@H]2CC3)s1	2251157273	HCYOCTJZTILMDS-IUODEOHRSA-N	248.391	4.600	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1ccc2ccsc2c1	2253061425	NZXFJITUESPETN-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CCC(C)(C)[C@](C)(O)c1ccc2ccsc2c1	2253084213	YMOKRGQNIKKMOF-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2ccc3ccsc3c2)C1	2253094447	SOVXAYOMFAMPGU-JQWIXIFHSA-N	244.359	4.520	0	10	BJAE	
CN(CC[C@H]1CCCCC12CC2)C1CCCCC1	2253858864	WPACFAHPCOZKNB-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNC1(C2CCCCC2)CC1	2254534119	ZFCMQDVLSFRNHM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(C[C@H](N)C[C@@H]2CCCC23CC3)CCC1	2255229951	ZGRWPKYOIWNGGE-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CC[C@@H]1CC(C)C	2256143066	ZDPQTOAXAFMDRD-UKRRQHHQSA-N	249.373	4.625	0	10	BJAE	
CCc1cccc(F)c1NC[C@H]1CCCC[C@H]1C	2256145051	UDLXFZODUVXLLD-TZMCWYRMSA-N	249.373	4.626	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](C)(N)[C@@H]1CC12CCC2	2257317948	AOSSSFMLRKNQJF-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC1(C)CC2(CCC2)C1	2257321485	KOGCXBUPMTWMMF-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@@]12CCCC[C@H]1CC2)C1CCCCC1	2260579774	SZBWYLXMZPEFDK-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCC(CC)(CC)NC(CC1CC1)CC1CC1	2298859897	ZHTJHFRZTLVQOX-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C(C)C)c2cc(C3(F)CC3)[nH]c12	2300668817	BKHUGMOSRCUELV-UHFFFAOYSA-N	231.314	4.558	0	10	BJAE	
CCC(CC)CC[C@@H](CNC(C)(C)C)C(C)C	2300676264	MPBAGPKJTGDELF-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC(C)(C)C[C@@H]1NC	2300682761	BYYBPUQAJFVXKK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC1(CN)CC(C(C)(C)C)C1	2300685115	BCHRGFIJEUKMTR-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC)CCCC[C@@H]1C	2300685903	KCULGIPCSUBFHY-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@@H]1CCCC(C)(C)C1	2300871664	HVAAIISKZXXPPX-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(N)(CC2CCCCCC2)C1	2301147957	OTYVGRZHAUFMTQ-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](O)CC2CCCCCC2)CC1	2301206036	YJUOPMZOJODJRD-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCCC[C@@H]2C[C@@H]21	2302837248	TYQZEVHROQPKPG-TYNCELHUSA-N	249.785	4.639	0	10	BJAE	
CCCCC[C@@](C)(N)C12CC(CC(C)C)(C1)C2	2304406483	UNFHJNCLCINBOE-QQFBHYJXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C(C)(C)C2CC2)C1	2304427991	IRGLPMUWDRDAQB-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](NC)c1ccccc1	2307895189	PGHBWYZEUKNKMK-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H]1CCC[C@@H]2C[C@H]12	2309960683	AQUFUVMOPWKOKC-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2310379971	LMOVBPAQPNNUCC-MUIFIZLQSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCC1	2311525008	WMMKUHWLVXENIH-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
C(CCC[C@H]1CC[C@@H]2NCC[C@@H]2C1)CCC1CC1	2312332908	RDTKZCKTJDULKL-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1CC[C@@H]2C[C@@H]2C1	2312333666	WGXUQSJCAZCLNG-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@]1(C[C@@H]2C[C@@H]3CC[C@H]2C3)CCCCCN1	2312888054	VFXBTEPSARISHO-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C(=O)[C@@H](C)CC1CCC1)c1ccccc1	2313652490	XFTWTGVSWQCEQU-XJKSGUPXSA-N	244.378	4.576	0	10	BJAE	
CCCc1ccc([C@@H](N)CCC(CC)CC)cc1	2316242875	ISAWIZBIGOVBIE-KRWDZBQOSA-N	247.426	4.855	0	10	BJAE	
CCC(C)=CCC(=O)c1cc2cc(C)ccc2o1	2316510313	LXSAQDNEKRHRTR-UHFFFAOYSA-N	242.318	4.670	0	10	BJAE	
CC1CC(CC(=O)C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2317009061	VNSYKRRPGJSTIA-YLZDHBLKSA-N	248.410	4.598	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@@H]1CCC1(C)C	2317573486	QGIPBTVKVHICJG-ZDUSSCGKSA-N	245.341	4.525	0	10	BJAE	
N[C@H](CCC1=CCCCC1)CC[C@@]12CCC[C@@H]1C2	2317906320	GUDLPIIFFFMFBC-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CCC1(C)CC([C@H](N)CCCC2=CCCCC2)C1	2318595600	RGOKPLUARYAIQR-AQFXKWCLSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1cc(F)ccc1C1CC1	2319171362	MWZHRSMJGLNKRT-BDJLRTHQSA-N	249.373	4.529	0	10	BJAE	
CC[C@](C)(CNC1CC1)C[C@H]1CCC(C)=C(C)C1	2320332010	UQUFXTGBPDNHJO-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)CCC2CCC2)c1	2327657039	HWFBDRSMDZXTDO-QGZVFWFLSA-N	245.410	4.699	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)C2(C)CC=CC2)c1	2327678642	XSKJVENCQUHESV-MRXNPFEDSA-N	244.378	4.508	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1C)c1cccs1	19998932	ICBCEZLCSIZHCL-ZDUSSCGKSA-N	245.391	4.928	0	10	BJAE	
CCCCCC[C@@H](C)Oc1ccc(C(C)=O)cc1	20516873	NAZAEPZTTFMIDX-CYBMUJFWSA-N	248.366	4.627	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@H](CC)CCCC	21055634	VZAMQBJCSALNHW-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCC(CC)n1c(-c2ccccc2)c[nH]c1=S	34962840	VYXTYQDDFZYZFH-UHFFFAOYSA-N	246.379	4.574	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](c1ccccc1)C1CC1	69374557	PCACWDRAZLICIH-IAGOWNOFSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@H](CC)CNc1cccc(C)c1	71125955	BTDODVMQEFAJPW-AWEZNQCLSA-N	219.372	4.623	0	10	BJAE	
CSc1ccccc1N[C@H]1CCCC(C)(C)C1	79974010	HQCSKTJODDEOAW-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCCC(C)(C)C2)cc1	79977656	AEMIOKVDVDURGN-GDBMZVCRSA-N	245.410	4.614	0	10	BJAE	
CCC[C@H]1CCC[C@@H](Nc2ccc(O)cc2)CC1	86943111	CVFYDBADTIVAGU-UONOGXRCSA-N	247.382	4.553	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCCC(C)(C)CC2)c1	91510018	LTIQGNUTHPJFQR-CQSZACIVSA-N	249.373	4.905	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CCC(C)(C)C)cc1	95760307	LWWQKFLKRAIZIK-HNNXBMFYSA-N	233.399	4.636	0	10	BJAE	
CCCC[C@@H](CC)c1nc(C2CCCCC2)n[nH]1	104161928	BTLFJCVKNQDJNL-GFCCVEGCSA-N	249.402	4.536	0	10	BJAE	
CCCCCC[C@@H](C)NCCC1CCCCC1	109898213	SIOHORSCEYSYHD-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](C)N[C@H](c1ccc(C)cc1)C1CC1	109946283	ZXMNLQIYVIBGRP-WMLDXEAASA-N	245.410	4.614	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1c(C)c(C)cc(C)c1C	110202291	SEVAQTGFUUOLSX-MRXNPFEDSA-N	247.426	4.617	0	10	BJAE	
CC(C)CCCCN[C@@H]1CCCC(C)(C)CC1	134286099	OUOGRTGJYOQOBB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](N)[C@@H](c1ccccc1)[C@@H](C)CC	159629046	ZLOHXIKEYTWDBI-BHYGNILZSA-N	247.426	4.724	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2=CCCCC2)C1	161017466	BTTSKJZMQJQOSI-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
Cc1cc(C)cc(C(=O)CCC2CCCCC2)c1	164138289	LPBHUXHLSZPSDK-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCCC)c1ccoc1	164948774	ZMBZENXCNYGKHJ-HIFRSBDPSA-N	237.387	4.537	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C1=CCCCCC1	203421848	XJVOZFHMJXKYPT-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H]1CCC[C@@H](C)C1	221668023	YSWMOADFWJOALB-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@@H](C2CC2)C1	227869430	SJUUAIZRYRUGRY-DZUCGIPZSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H](NCC=C(C)C)c1ccccc1	228872168	KHGCFMAZLRLREI-KRWDZBQOSA-N	245.410	4.864	0	10	BJAE	
Cc1ccc([C@H](O)CCC(C)(C)C)cc1Cl	229341269	JVGMCSFLJDBJRX-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1c(C)cccc1Cl	229639235	HRHNBJOMEYBYAE-WCQYABFASA-N	237.774	4.639	0	10	BJAE	
CC(C)[C@@]1(C2=CCCCCCC2)CCCCCN1	232807836	FOHVLLRRVBTFKN-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1CCCC[C@H]1CC	253041851	LRMXQALYMJVECD-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccc(C)c(Cl)c1	300856108	BUXODMJNOFMRAS-BXUZGUMPSA-N	240.774	4.508	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cccc(C)c1F	302338825	UGRVKAHVBBANID-CYBMUJFWSA-N	237.362	4.905	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CCC2CCCCC2)C1	304124167	FAGRKUPCICPWML-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CCCC(C)(C)C)C1	305910363	HZZUYNKZUPFDFI-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCCN[C@@]1(C)CCCC[C@H]1C	308689960	FGPFRKJKKIYZIX-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
Cl/C=C\CNc1ccc(-c2ccccc2)cc1	310043954	FIZQBZPCGPXMBW-WCIBSUBMSA-N	243.737	4.518	0	10	BJAE	
CC1(C)CCC(CC[C@@H](O)C2CCCC2)CC1	310163277	RRYUJXQHBHRFAX-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(N)CCCC(C)(C)C2)C1	310405304	LNNPPTHOPCGEIV-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC2(C)CCCC2)CC1	310560802	VPJMLDYJQZTIGP-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](Nc1ccccc1F)c1cccc(C)c1	310715404	WEPUPEMVVFYZML-OAHLLOKOSA-N	243.325	4.697	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNCC)CCC[C@@H](CC)C1	317314717	TZWRDCCVOKELBF-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@@H](C)n1ccc2ccc(C)cc21	319737332	XJBPYSHFISUARN-CHWSQXEVSA-N	215.340	4.557	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)c1)[C@@H]1C[C@@H]1C	321033368	DEQVKADCZWLMGR-MAZHCROVSA-N	231.383	4.657	0	10	BJAE	
CCN[C@H](CCCC(C)C)C(C)(C)C1CCC1	322326746	SQFBGEONNIORFK-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H](N[C@H]1CCCC12CCCC2)C1CC1	324236759	IDUMNSCVEKJORN-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC(=O)C(C2CCC2)C2CCC2)CCC1	381194199	ZCIDUMBIYUMYRV-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@](O)(CCCC(C)(C)C)c1ccsc1	382145895	RJNXLHMNJBDKLZ-AWEZNQCLSA-N	240.412	4.562	0	10	BJAE	
C/C=C\CNC(CCCCC)CCCCC	384803949	YYGLBHFZVCINRV-TWGQIWQCSA-N	225.420	4.681	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@H]1CC[C@H](CC)CC1	394112046	CAKXICLMMXXLKC-DZKIICNBSA-N	249.398	4.537	0	10	BJAE	
CC1([C@@H](O)CC2CCCCC2)CCCCCC1	394582729	DQYNXWBEPOZHBY-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H]1CC[C@@H](CC)C1	395054836	XIWUXIIGOBVUNP-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
CCc1sc2c(F)cccc2c1C(F)F	396204288	WZTHHVZOGCPBOW-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCC[C@H](Nc1cc(C)ccc1C)[C@@H]1CC1(C)C	397577225	DSLNCXBTSOPZJT-GJZGRUSLSA-N	245.410	4.930	0	10	BJAE	
CC(C)(NCCCC1CCCCC1)C1CCC1	398078042	MLERORUTTIQJAV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNC(CC)(CC)CC	401964917	SJWXEIBYIRGLCA-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCCCNc1ccc2c(c1)CCCCC2	404630790	GBBRIOPZNFCEAM-UHFFFAOYSA-N	231.383	4.558	0	10	BJAE	
CCC[C@H](CC)Nc1ccc2c(c1)CCCCC2	404743775	FZSVKDDEQYDCTB-INIZCTEOSA-N	245.410	4.946	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)c1ccccc1	405629923	VZKSXYCEUREEMB-KRWDZBQOSA-N	247.426	4.523	0	10	BJAE	
CC(C)COc1cccc(N[C@@H](C)C(C)(C)C)c1	687710913	HAADAWWVFMGDFZ-ZDUSSCGKSA-N	249.398	4.568	0	10	BJAE	
CC[C@H](C)C[C@H](N)C1CC(C)(C)CC(C)(C)C1	688347962	ZKULMSKGNYCQQC-JSGCOSHPSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@@H]2CCCC[C@@H]2C)c1	688927340	QQEVJRQCGWGDQO-XKQJLSEDSA-N	245.410	4.636	0	10	BJAE	
CC(C)NCC1(C[C@@H]2CCC[C@@H](C)C2)CC=CC1	690486128	SEDFZYDZVRULQN-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)c1ccsc1CNCC	693091857	OZFBBRVVAQUBNQ-LBPRGKRZSA-N	239.428	4.541	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC(C)(C)CC(F)F	694087655	NLDSFMLKWHKNGR-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
O[C@@]1(C2=CCCCCCC2)CCCC[C@@H]1C1CC1	696094755	QLRYYLDEHMXPOH-IAGOWNOFSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)C[C@H](CCCC(C)(C)C)NC	696249683	NZCZMHDCWCSJFK-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H](C)C1CCC1	697852900	YWUQBDIZOPPEIG-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)C(=O)c1cccc(C)c1Cl	701391141	YWAHZSBXYCSSFY-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC(C)CCCC1(N)CCC(C2CCC2)CC1	704458958	FCLWUOUQOVDJJE-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)CCCC23CCC3)CC1	704828657	MLKKXSFRTPTLFJ-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCCC[C@H]1n1ccc2cc(F)ccc21	704960480	ZJLXWFPFDKJAOM-SMDDNHRTSA-N	231.314	4.532	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@@H]2CCC[C@H]21	707733956	SCWSOQDPUWMLQP-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@@H](C)CC(C)(C)C	709198256	FQSGMIUOGMNPCN-DZGCQCFKSA-N	227.436	4.602	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)c1cc(C)ccc1C	710227163	ZLHHVKLKJJVZKJ-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC[C@H](C[C@H](N)c1cc(C)cc(C)c1)C(C)(C)C	711120596	NCHSDXZEEQCJJR-CVEARBPZSA-N	247.426	4.766	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCCCC12CCCC2	713150923	CBOQYLHRNZGHKC-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)CC(C)(C)C(C)C	713210480	FBAJRKSWRFGANL-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@H](CNC(C)C)CC(C)(C)C(C)C	713224047	YFILDDOAFATLOI-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)n1ccc(CCCC(C)=C(C)C)n1	718670812	URLKFEYKVRPMRN-AWEZNQCLSA-N	234.387	4.533	0	10	BJAE	
CC(C)=C(C)CC[C@@](O)(CCC(C)C)C1CC1	718689721	HTYMJUHPICRWGM-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)C[C@H](C)CC(C)(C)C1	718744108	YVLGRCUGIGTVNT-CZUORRHYSA-N	238.415	4.700	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CCC2(CC1)CC2	718774658	AODBTNYQTKWUOM-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC(C)c1ccccc1NCCCCC1CC1	720136602	MIZBYBAOTDECIJ-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cscc1C(F)F	720230589	QTYMKVDFSOHBTB-KWQFWETISA-N	247.354	4.512	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	723130677	JBZPOYGEVFYMJJ-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCNc1ccc(-c2ccco2)cc1F	1205516942	BOUZJWYLGCQUHZ-UHFFFAOYSA-N	247.313	4.544	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H]1CCCC12CCCC2	1560988906	LOWJWUKUGVSOPU-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@@H](C)CC1CCC1	1899348875	ALXZZIQGEKBDTN-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC(C)=CCC[C@@H](O)c1ccc(Cl)cc1	1900841352	XIVVBSOJUYOLAV-CQSZACIVSA-N	238.758	4.510	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CC=C(C)CC	1900884696	XCUDHIJDBFMFST-GJZGRUSLSA-N	226.404	4.556	0	10	BJAE	
CCC[C@@H](O)CCCC[C@@H]1CCC(C)(C)C1	1903403223	IUHRZBYHMDNOLO-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](N)C1CCCCC1	1905359717	FJDOHXQEZVEKGX-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC1(N)CC(CC)(CC)C1	1905365266	VYOKAYWUAIXOTB-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1CCCCCC1	1905436264	YNSDDJXRXOHOQD-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC[C@@H]1C[C@@H]1C)NCC	1908569170	YODIWKWZXNQPPO-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(=O)CC[C@@H]1C[C@H]1C1CCCCC1	1910809614	OKBXXXJQJZSPMH-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC(C)(C)C)C=CCCC1	1916568072	HAQKBBJVYLUMGW-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@](C)(CNCC)C1CCCC1	1924119897	UNICNZLPWPIBCH-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
C1=C[C@@H](CC2=Cc3ccccc3C2)CCCC1	1925880583	WIDQIUXJTRBFKG-CQSZACIVSA-N	224.347	4.763	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](C[C@@H]2C=CCCCC2)C1	1925943826	BMBLWDNKRVJKRD-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@H](CC[C@@H]2CC3CCC2CC3)CC1	1932592628	KITUJGABLNTRBG-VXGQWTEUSA-N	204.357	4.559	0	10	BJAE	
CCNC[C@@](C)(CC1(C)CCCCC1)C(C)C	1940405394	IABOTZSWALQWIR-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCC(C)(CC)CC	1941355412	MFMWIHZBEQQJAH-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](O)CCCC1CCC1	1941470354	PCACGPRIMZPBEY-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CC1CCC=CCC1	1941794129	RIGMXFPZJLOSRR-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)CCC1CCCCC1	1942653221	OIVOPVAJYGGBIN-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@@H](C)C(C)(C)CCNC(C)(C)C	1942658882	HSWNEPJGDHIDEQ-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H]([C@@H](C)C(C)(C)C)[C@H](C)CCC(C)C	1942659857	JYTZOUODFZNSHN-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H]1CC[C@H](F)C1	1945209841	UPRGYGXTASXDFE-MCIONIFRSA-N	242.378	4.546	0	10	BJAE	
C[C@H]1CCCC[C@@H]1NC(C)(C)C1CCCCC1	1945382532	PCKFHBALBCYPJT-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCC(=CC(C)(C)C1CCCC1)CNC(C)C	1946184926	MXKSYCNZHZAGSF-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CC(C)(C)C(C)(F)F	1949014010	WFDANRDFTWGNJP-NSHDSACASA-N	249.389	4.602	0	10	BJAE	
CCC(C)(CC)[C@H]1c2ccccc2NC[C@H]1C	1949094392	OAJVIMPQAAVTBH-IUODEOHRSA-N	231.383	4.658	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CCCC(F)(F)CC1	1950015209	PMHZKIAURQQQSZ-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
CCC=CC[C@H](CC)c1c(C)cccc1OC	1951308392	GBEONVPKGWLSAN-AWEZNQCLSA-N	232.367	4.854	0	10	BJAE	
C=CC=CCCC[C@]1(C)CCCC1(F)F	1960758470	ZZRIKZXUVFYANO-GFCCVEGCSA-N	214.299	4.724	0	10	BJAE	
C1CCCC(N[C@@H]2CCCCC23CCC3)CCC1	1967797516	OXDYYIFKRTYJIP-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
COc1cc(C)ccc1N[C@H](C)CCCC(C)C	1969077490	VFKSWKLUANCMTP-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CC[C@H](NC1CCC2(CCCC2)CC1)[C@H]1C[C@@H]1C	1970538273	MUVIGVCQERPCKH-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1Nc1cccc(C2CC2)c1	1972458779	FQSWOMKAOWRHMH-IRXDYDNUSA-N	243.394	4.801	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H]1CCCC(C)(C)C1	1978375061	ATKHGUQVUIBFRL-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCCC(=O)c1cc(C(F)F)cs1	1983699568	SSUQABOHAHYABV-UHFFFAOYSA-N	244.306	4.615	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(C)cc1	1986946745	CITVFDROOSVBTG-AWEZNQCLSA-N	219.372	4.622	0	10	BJAE	
C1=C(CC2CC(c3ccccc3)C2)CCC1	1989245137	ULEGGKXXYPBPHZ-UHFFFAOYSA-N	212.336	4.681	0	10	BJAE	
CCCCC[C@](N)(CC)C1CCC(C)CC1	1990089876	REDFFQQUCJSOJO-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(C)c(C)c(CCC2=CCCC2)c1	1994008852	ITLVLCIJUSVBLU-UHFFFAOYSA-N	214.352	4.655	0	10	BJAE	
CC1(C)CC[C@@H]([C@@](C)(N)C2(C)CCCCC2)C1	1995989716	ZTCAHTGCOUFJSL-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H]1CC[C@@H](C)C1)NC	1996247394	ITTCOLFCVKIKHD-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@H]1CC[C@H](C)C1	1996251003	VMUUSFRIQZHAKK-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@H]1CC[C@H](C)C1	1996260531	PHQQELIVIPITLM-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@@H](C)CC(C)(C)C)NC	1996612843	LCWRWIXYUKJTIR-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CCC)[C@H]1CCCC2(CCC2)C1	1997043080	NSTPBOMSNJLWTO-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@H](CC2(CO)CCCCC2)C1	2000034760	VBOZFSKTDZSABQ-AWEZNQCLSA-N	238.415	4.536	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)C1CCCCCCC1	2002506659	DYXLANPDAXHYII-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@H]2CCCC(C)(C)C2)C1	2002993752	NJHBDUOWUBEZKG-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@@](C)(N)[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	2003016719	QFVYLDHEJREJCK-HLPPOEQASA-N	239.447	4.602	0	10	BJAE	
CC1CCC(C[C@@H](O)CC2(C)CCCC2)CC1	2003174386	CYANCCGORJLONE-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@]1(C)C=CCC1	2003322984	DGFGFCJIGPVOBX-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CSc1cccc(NCC2(C)CC(C)(C)C2)c1	2003409653	IQNGJGGVGCPJJR-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CCCCC[C@@H](NC)[C@@H]1CCCCC12CCC2	2005601047	PVMFBEQADCGTPD-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@@H]1CCCCC12CCC2	2005601690	SYGUGPFYLZORDO-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@@H](CC(C)C)C(C)C	2007861582	WLBLAUSTMPTWKW-JKSUJKDBSA-N	239.447	4.639	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C2CCCCCC2)CC1	2009403787	GWECLLHSFRTJKB-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](C)C[C@H](NCCC)C1	2009615784	BWDLEJMKSXXDHL-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)C(CC)CC	2010712183	HBEYMJHSQUMVSF-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC1=CC[C@H](CC)CC1)C(C)C	2010767035	FEINOMXEGYQBMC-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@H](C[C@H]1CC[C@H](C)CC1)NC	2017721326	ANJWJPXBVASDFH-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C[C@H]1CC[C@H](CC)CC1)NC	2017725085	QEKSUDLQNKRZCL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@H]2CCCC[C@@H](N)C2)CC1	2017738485	VAOCOIVFCVGRDQ-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)CC2CCC2)CC1	2017777579	FAFMAHSIAFUJOA-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)C1(CCC)CC1	2018992153	NUHJCYVKIVLOEN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@@H]1CCC[C@H](C)C1	2019174354	MNRSMKQMIMQSNJ-XHSDSOJGSA-N	239.447	4.713	0	10	BJAE	
CCN(CCCC(C)(C)C)C1CCCCCC1	2020506139	MJRYMZWVKCBHOO-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@H]1CC[C@H](C)C1	2026142188	HRUZEZXYZAZCLH-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@H]1CCC[C@@H](C)C1	2027030372	LHPPPPOMJRZJSR-ZACQAIPSSA-N	249.442	4.703	0	10	BJAE	
Cc1ccc(C(=O)CC2(C)CCCCC2)cc1C	2027295565	HJGKYIXLPCFMFA-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NC)c1ccc(C)c(C)c1	2028261309	GVZLWMROJWFPSX-IRXDYDNUSA-N	247.426	4.636	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1ccccc1C1CC1	2028559800	KCIKUGFIMCMQKP-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CN[C@H](c1ccc(C2CC2)cc1)[C@H](C)C(C)(C)C	2028606222	UNSNIXPXGWHCJT-LRDDRELGSA-N	245.410	4.507	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@@H]1CC[C@H]2C[C@H]2CC1	2028974677	FWGBTBLJSMVEAO-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccc(C3(C)CC3)cc2)C1	2032243456	VOHAJMNUGZRLFX-BBRMVZONSA-N	243.394	4.729	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)[C@H]1[C@H](C3)C1(C)C	2032440830	QEKQZPYIPFCSOX-BLLLJJGKSA-N	239.362	4.587	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC1(CNC2CC2)CCCCC1	2032515200	QRGDBMADHRLALC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@H]2CC[C@H](F)C2)cc1	2032938815	KASOLAQAYNZEJX-WFASDCNBSA-N	248.341	4.521	0	10	BJAE	
CC(C)(CN[C@@H]1CC12CCCCC2)C1CCCC1	2034021258	ZTMPEYUJNIFBSB-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1	2036320300	LPFRAOVPBCIIJR-AEGPPILISA-N	248.410	4.598	0	10	BJAE	
CC1([C@H](N)CCC2=CCCCC2)CCCCCC1	2037174553	KMUJXWUPGIJCPF-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)CC2CC3(CCC3)C2)C1	2037980500	YVPSEIRCTSLKEZ-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)CC1CC2(CCC2)C1	2038078192	IDWDJCPZAAXGPU-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCCNC2C[C@H]3CCC[C@@H]3C2)CC1	2038615235	RXIOQKKCRKUUSX-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@H]1CC=CCC1	2042024165	JGBHJUMPFFOXNO-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCN(C[C@H]1CCC=CCCC1)[C@H](C)C1CCC1	2045310935	HDRYDFSOTMINJY-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](C1=CCCCCC1)C1(C)CCCCCC1	2045719746	VTPXMFPIDJDJEV-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@H]1CC(C)=C[C@H](C)C1	2045763555	JPUIRBADNARROM-IAOVAPTHSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](c1cc(C)co1)C1(CCC)CCC1	2045812004	CCPCWNAFWGYQRT-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@@H]1CCC12CCC2	2047942577	LIHYTEBGZKDCIW-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1[C@H]2CCCCC[C@H]21	2048361211	UGYICPBCWMDDNZ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)C[C@H]2C=CCCC2)C1	2049538513	ZJIBWLNRTORUAE-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2CCC3(CC2)CC3)[C@@H]1C	2049855469	JIFWGQYFYFXPES-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@H](C)CCC(C)C)c1ccccc1C	2050460600	KPXKZNGPNZPHBX-RHSMWYFYSA-N	247.426	4.718	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CCCCC23CC3)C1	2053353643	ASZVKEHAAPCJQD-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC(C)CCCNCc1ccccc1C(C)(C)C	2053868028	JPUFRQJVAMFCSD-UHFFFAOYSA-N	247.426	4.510	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1C=CCC[C@H]1C	2055569824	JNUQHEDQDOSZCW-OIISXLGYSA-N	249.442	4.680	0	10	BJAE	
CCC1(CC)CC(N)(C[C@H]2CCC=CCCC2)C1	2058835378	OMVPWCUABDCNPT-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
CCCCCC1CC(N[C@H](C)c2ccccc2)C1	2059394899	CTPXIQJGKNVTIB-HPUBIQBYSA-N	245.410	4.696	0	10	BJAE	
CCCC1CC(NC[C@@]23CCCC[C@@H]2CCC3)C1	2059395418	KVAFOOYDICVDEL-MYBQVCMBSA-N	249.442	4.515	0	10	BJAE	
C=C=CC[C@H](C[C@@H]1C[C@@H](C)C[C@@H](C)C1)NCCC	2059444677	PSKBNXHEBWCULI-LTIDMASMSA-N	249.442	4.548	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1	2059497863	SAYMBFPOIRUPNF-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(SC)c(Cl)c(C(F)F)c1	2060054017	NIXSPQACWDLUQY-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)[C@@H]2CCC(C)(C)C2)CC1	2061091459	JJLCADWJDYAHOD-FVQBIDKESA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@](C)(N)CC2CCC2)CC1	2061112698	IGTIIVONNBABAE-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H]2CCCC[C@@H]2CC)CC1	2061116216	NVVINRJAODQEHI-OHFALNGGSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@H]1CCCCC[C@H]1CNC(C)(C)C	2061562544	FNQMIKDLTUNOQH-HOTGVXAUSA-N	249.442	4.692	0	10	BJAE	
C=C=CCC[C@@H](NCC)[C@H]1CCCC(C)(C)CC1	2061565278	CCVANUVJYBKVDT-JKSUJKDBSA-N	249.442	4.692	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C2CC(=C3CCC3)C2)C1	2061730411	HWSORIQAMHDPJI-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
CCC(CC)(CC)c1nc2c([nH]1)[C@@H](C)CC[C@H]2C	2061879581	VBHOUXLQJUHUJN-TXEJJXNPSA-N	248.414	4.878	0	10	BJAE	
C[C@@H]1C[C@H]1CCCN[C@@H]1CCCCC12CCCC2	2062603941	SRJDUPMXRKZCJB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063525139	RUYXOCHQIKGCQS-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@H](C)NCC1CC2(C1)CC21CCC1	2064083201	OMFCSFTZNJHVKZ-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CCCCC(C)(C)Nc1cc(C(C)(C)C)ccn1	2066388433	POPGKXXUTKKFEL-UHFFFAOYSA-N	248.414	4.760	0	10	BJAE	
CCCC1(C=C2CCC3(CCCN3)CC2)CCC1	2069344663	NCBPTZBRNHOMRG-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2CCCCC23CC3)CCC1	2071915055	JSYZQVLWSBQQPG-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCN(C)C1CC2(CCC(C)(C)CC2)C1	2071976866	NHOJJCPWPNNEGY-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(N)CC[C@@H]3CCCC[C@@H]32)CC1	2072793360	JMLBTQKDIVHTIT-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CC1)C1CC(C)(C)C1	2077263825	FDHJIDNWVPYMRT-GFCCVEGCSA-N	243.394	4.801	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1NC1CCC2(CCCC2)CC1	2079529542	MCPYNHAUHADFFC-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
O=C(CCC1CCCC1)C[C@H]1C[C@H]1C1CCCC1	2079863555	KPOMNZREZQCBJK-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(F)ccc1-c1cc(Cl)cs1	2080278324	YLHCKUNICPQEJV-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
CCCC[C@H](C)N(C)Cc1cc(C)cc(C)c1C	2082954547	UNUQVERPGGYOHG-HNNXBMFYSA-N	247.426	4.622	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)C[C@]23CCC[C@@H]2C3)C1	2082976125	OLUDVUHSUTYEMU-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC2(N)[C@H]3CCC[C@H]2CC3)C1	2082977152	WWIQTNLGOXBCSC-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)[C@]2(C)CC2(C)C)c1	2083546671	SEZAKGPULXBXEM-KRWDZBQOSA-N	244.378	4.603	0	10	BJAE	
CCCCCC[C@@H](N)CC1C2(CCC2)C12CCC2	2083566342	KJWGHUDPYWPPPE-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
C1=C[C@H]2CC[C@@H](C1)[C@@H]2Nc1cccc2ccccc12	2104381557	LOUMWXAGUCKTSJ-HDMKZQKVSA-N	249.357	4.606	0	10	BJAE	
CC(C)=CCc1cc(Cl)cc(F)c1Cl	2210044549	OFFYGOSPQFZOGK-UHFFFAOYSA-N	233.113	4.641	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CCCCC1CC1	2211104024	WRGGNHXOGATCDF-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](O)[C@@H](C)CCCCCCCC1CC1	2212449756	DJZWFAZSKUFWTA-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
C(=Cc1ccccc1)CC=Cc1ccccc1	2212780511	UORWAUAKEOUUND-UHFFFAOYSA-N	220.315	4.803	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1C[C@H](CC(C)(C)C)C1	2213131868	VMNQLJQXFLCCLX-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
CC(C)=CCCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2213284670	KBTJICYGRPJATM-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213285596	RSASOPHUKDGRKX-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
Cc1cscc1NCC1C[C@H]2CCC[C@H](C1)C2	2213291936	IFGNARLTLJQQJI-STQMWFEESA-N	249.423	4.685	0	10	BJAE	
C[C@](N)(CCCCCCC1CC1)CCC1CC1	2213575647	HULMBNMOIZMPQR-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC(CCC)NCCCCCCC1CC1	2213600874	SPQSJUYYNNONKZ-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CCCCC2CC2)CC1	2214570297	QUZXPVWPZSBOQU-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@H]1CC[C@@H]1C)NC	2214971828	NLQMXQHTYYETQY-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](NC)C(CC)(CC)CC	2215256760	RXLAONGNXOIBFV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1C)C(CC)(CC)CC	2215264180	BSQKVTSTMUTMKG-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CN[C@H]1CCC[C@H]1CCCCCCCC1CC1	2216879376	IPCDCFLDUJIITH-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@H](C)CCC(C(C)C)C(C)C	2217147467	JTNBBCAIIJGBQG-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
C[C@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCCCN1	2218354466	RZVUDUOFVZRJMC-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218386377	ULYAYRYMLQJABP-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C1C[C@@H]2CC[C@H]2C1	2218724797	KICRGMHAQBKWBM-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)CC=Cc1ccccc1	2219071345	NCMBWNSIZJWTLL-NVXWUHKLSA-N	246.394	4.523	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2220961859	OTIRYHHFJMMBJP-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC(C)C1([C@H](N)CC2(C)CC3(CCC3)C2)CCC1	2221027495	HAHQFOANCHOWEX-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@]2(C)CC=CCC2)c(C)c1	2221940521	XRXYYOJQMVTICM-QGZVFWFLSA-N	242.362	4.541	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@@H]2CCC23CCC3)C1	2222255246	FNXZDXASGWSJSD-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
N[C@@H]1C[C@H]2C[C@H]1C[C@H]2CCCCCCCC1CC1	2223156858	BZBIVKGYZIHTKM-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@]1(CNC2CCC2)CC=CCC1	2223541764	LFKJNDMPHQLHRT-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)NC[C@@]1([C@H]2CCC2(C)C)C=CCCC1	2223574822	XAXHGPJZCCIBST-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(=O)c1ccc2occc2c1)C(C)(C)C	2224195892	JJYBRDFIQZEBNV-NSHDSACASA-N	244.334	4.688	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1cccc2ccoc12	2224200799	FIJRTDQMYRPGNJ-GFCCVEGCSA-N	244.334	4.832	0	10	BJAE	
CCC(C)(C)CC(=O)CCCC[C@@H]1C[C@@H]1C	2243043793	YRHHIZDJPFESAR-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)C(=O)c1ccc(C2CCC2)s1	2244712353	QNOSPXNDLJHZNG-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CCC[C@H](CC)CNC1(CCC)CCCC1	2244808379	ZRUVTBGRMNBDFT-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](C[C@@H]1CCCCC12CC2)NCC	2246615926	YRDDOACRORSIPJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCc2cccc(C)c2N1	2246647436	QLVHOGDGJHDMRJ-SWLSCSKDSA-N	231.383	4.548	0	10	BJAE	
C[C@H]1CC[C@@H](CC[C@H]2CCC[C@@H](C)C2)CC1=O	2246665562	SEUOLTHHULOMCG-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CCC12CCC2)C(C)(C)C	2247398939	OCKHMLHNGJTKPD-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C(=O)CC[C@@H]2CCCC23CC3)cs1	2247643254	MMGPZSKEAOPCIG-ZDUSSCGKSA-N	248.391	4.600	0	10	BJAE	
CCN[C@H](CCCCC[C@@H]1C[C@H]1C)[C@H](C)CC	2248821045	PRNVQNKFIZSDGE-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](O)(CC)CCCCC[C@@H]1C[C@H]1C	2248860151	ZKXQOMPAFQKOOP-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CCCCC[C@H]1C[C@H]1C	2248867879	YDLCZQKXMJCJKJ-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccc(C(C)C)cc1	2250380535	ZABCAQZWSQNYAM-BBRMVZONSA-N	233.399	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](C)CCCCN	2250469984	VEYGKFFIKKNSOE-HZPDHXFCSA-N	241.463	4.994	0	10	BJAE	
CCC1([C@@H](O)CC[C@H](C)CCCC(C)C)CC1	2250475389	KBBWKPJLUANMJI-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC1=CC[C@H](CC[C@H](C)CCCC(C)C)[C@H]1N	2250481557	NDWCSTXDWYXAPD-KBMXLJTQSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)CC1CCC1	2250496637	UBQAFTIOHRYNBA-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCN1CC[C@H](C)CCCC(C)C	2250515479	ZFCYYEARTFUKAT-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](C)[C@H](O)CC1CC(CC(C)(C)C)C1	2251535150	LQPBBYSILADPNZ-VXGQWTEUSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2C[C@@H]3CCC[C@H](C2)N3)C1	2253974788	XIYYGUFXXVQTKB-ZSNVMCELSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCCCCC1CC1	2254262009	SZQZRGVGOATVKP-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@H]1C=CCCC1	2255092605	AIWCCJFAUHFRPN-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H]1CC[C@H](CC)C1	2255095107	QWEMFMKWUMILCS-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC[C@H]1CCCC12CC2)[C@H]1CC[C@H](N)CC1	2255257751	XKOWNTJIUFRRPP-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@@H](N)C[C@H](C)CC(C)C)cc1	2256295276	CKZMBNHHJBGOPW-PBHICJAKSA-N	247.426	4.711	0	10	BJAE	
C[C@H]1CCC[C@H](Oc2cccc3c2CCCC3)C1	2257479451	KRKNYPKISFAOJI-ZFWWWQNUSA-N	244.378	4.523	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccc(C(C)(C)C)cc1	2259449171	USEAIOMXGXFSPX-CZUORRHYSA-N	247.426	4.810	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccccc1C1(C)CC1	2259457120	CRGINCBSBOCKEB-XJKSGUPXSA-N	245.410	4.564	0	10	BJAE	
CC(C)(C)c1cc(C[C@@H]2C=CCCCC2)ccn1	2260693811	DOZNKPVCCSMQBU-CQSZACIVSA-N	243.394	4.668	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cccc(CC2CC2)c1	2260908848	BUOALYPVDNZRMA-CYBMUJFWSA-N	244.378	4.648	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)[C@H](C)CC1CCC1	2298906956	DCORJCOHJSCUHB-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CCC1CCCCC1	2300502576	CAAIHIZMPHRQSK-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O	2300675427	FCHBJVVLOSUALX-XHSDSOJGSA-N	240.431	4.636	0	10	BJAE	
CCC(C)=CC[C@@](O)(CC)CC1CCCCC1	2300896185	GGCQSDSYPOWTDI-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC(C)NC[C@H](C)[C@H](C)CC1CCCCCC1	2301185389	JJYJIAXMFAOUFP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CN(c1ccccc1Cl)[C@@H]1C=CCCCCC1	2301369623	RDLBJTNKJZCPKX-CYBMUJFWSA-N	249.785	4.665	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H](C)[C@@H](C)C(C)C	2301703956	JFIJSZBYGJAXQT-HOTGVXAUSA-N	241.463	4.815	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1ccccc1C1CC1	2301834487	ZEGVFSMUHHYNHL-OLZOCXBDSA-N	231.383	4.657	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@H](C)[C@@H](C)C(C)C	2301841650	WOPBCHMCBOYLOB-ZJIFWQFVSA-N	242.447	4.738	0	10	BJAE	
CC1CC(CC(=O)CC[C@H]2CCC(C)(C)C2)C1	2304427659	GTJFKDLKJOCEIU-MOKVOYLWSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CCC2CCC(C)(N)CC2)C1	2304445228	AAYWHNKXQNYQJD-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2307833821	DYXSPSKTVYUCMB-ZVDSWSACSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)[C@@H]1CC[C@H]1C(C)(C)C	2307902353	KSOMACJWWYEJMQ-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)CN(C)C[C@H]1CCC[C@H](C)C1	2307903414	OMYOCPMMQARCDX-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C(F)(F)C1CCCC1	2307911599	WRIMAEUQMPDSNB-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309805201	IFUWWQLCNYYSPS-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H]1C[C@@H](C)Nc2ccccc21	2311573215	DYRVOEUTYRYJKW-KBXIAJHMSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H]1CC[C@@H]2C[C@@H]2C1	2311745717	HUUBYJLMCDVFEP-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CC1)C(=O)c1cccc(C(C)(C)C)c1	2313643006	WWAFFWGQQIATTD-GFCCVEGCSA-N	244.378	4.603	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)c1cccc(C2CC2)c1	2313705408	SVMLTMYGILKACC-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2C[C@H]3CCC[C@H]2CC3)C=CCC1	2316883008	FIXHATLVYMZWQL-MPTYRVRUSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1[C@H](C(=O)C2(C)CCC3(CC3)CC2)CC1(C)C	2318241154	OEVADOOBXCJXBA-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H]1[C@@H](C)CCC[C@H]1CCCC1=CCCCC1	2318540469	QDMKSKYSUZRFET-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(N)CCCC[C@@H]2C2CC2)C1	2319046177	YNZDIVMOKUFWNX-LXZKKBNFSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@H]2CCC(C)(C)C2)cc1	2319290807	KXPBYSBXGXAWAE-CQSZACIVSA-N	244.378	4.784	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(N)CCCC(C)(C)C2)CC1	2320339380	DGHDNFLYBBBRLS-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CC[C@H](N)c2ccccc2)CC1	2320395460	WLFGWLJLWIWKOM-WBVHZDCISA-N	243.394	4.603	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H]2CCCCC[C@@H]2O)c1	2327678062	PYUVZKCBLGUQGA-WBVHZDCISA-N	246.394	4.527	0	10	BJAE	
CCC[C@](O)(c1cc(C)ccc1C(C)C)C1CC1	2327700550	BXXJDZUNZOBGDD-QGZVFWFLSA-N	246.394	4.516	0	10	BJAE	
CCCCc1ccoc1-c1ccc(C)cc1	5310419	NUVJUQDLCRLXRG-UHFFFAOYSA-N	214.308	4.598	0	10	BJAE	
CCCCc1ccc(NC[C@H](C)CCC)cc1	21795721	PQTJBKFMPBWCQB-CQSZACIVSA-N	233.399	4.877	0	10	BJAE	
CCC(CC)[C@H](NC1CCCC1)c1ccccc1	37107677	QVOUDNXWSONUIH-KRWDZBQOSA-N	245.410	4.696	0	10	BJAE	
Clc1ncc(-c2ccccc2)c2ccccc12	39222635	SMIGICYHCZUSHY-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
Cc1[nH]c2ccccc2c1-c1cc2ccccc2[nH]1	39617869	LJAHACKPFLSTHL-UHFFFAOYSA-N	246.313	4.625	0	10	BJAE	
CCCC[C@H](CC)Nc1ccccc1SC	68986384	PJHHWSRHIRHADG-LBPRGKRZSA-N	237.412	4.789	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CC[C@H](CC)C1	70765381	NNGAOOUYPUYMCG-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)c1ccsc1	71085212	QWOAKRSYKRALHR-GXTWGEPZSA-N	239.428	4.615	0	10	BJAE	
CC(C)(C)CCNc1ccc2sccc2c1	71087073	VKLOOKSJARONLX-UHFFFAOYSA-N	233.380	4.749	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(C)cc2C)C1	71104434	VCBDYDJSMHODBC-GJZGRUSLSA-N	231.383	4.684	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)C1CCCCCCC1	86579502	DQZSMBWHFURBHW-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(C(CC)CC)CC1	87169131	BDNZQMVNYASPKJ-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC1(CNCCC)CCC1	87411437	VBQPRAXFYCSDDQ-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](N)c1cc2c(C)ccc(C(C)C)c2o1	88075157	LNAFOINXMRVNPA-AWEZNQCLSA-N	245.366	4.665	0	10	BJAE	
CCCC[C@@H](N[C@H]1CC=CCC1)c1ccccc1	88747149	MPKSDGYCJXYZIH-DLBZAZTESA-N	243.394	4.616	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H]1CC[C@H](CC)C1	94676723	VNAFVDASHHBKRA-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccnc2ccccc12	104177451	GQZHDNIALUGFGG-CYBMUJFWSA-N	242.366	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)c1ccccc1	109697050	NWKPOLWUSGYRML-GDBMZVCRSA-N	234.383	4.501	0	10	BJAE	
CC[C@@H](C)CC1(CNCC(C)C)CCCCC1	110200925	CEHXPRHCEHINDX-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](C)(CCC(C)(C)C)CNCC(C)C	110203922	XIGZTZKEHRIRSX-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)C2CCCC2)c(C)c1	112392348	KJGOBFJLOYULSX-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H](C)CCC(C)(C)C	128637297	OWLZJOXADDXWKV-HOCLYGCPSA-N	247.426	4.800	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H](C)C1CCCCCC1	164127203	SKPBTPJBRJNGLI-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCC(=O)c1cccc2ccccc12	165703505	LEUKLKQKLFVKDM-UHFFFAOYSA-N	240.346	4.849	0	10	BJAE	
CCCN[C@H](c1cccc(CCC)c1)[C@H](C)CC	165811946	VFTDAVDVDGFMIM-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](CCC)CCCC	225982742	NPXBHODVSOODFN-HUUCEWRRSA-N	227.436	4.904	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H]1CCC[C@@H](C)C1	227006173	VXOMNQDJLSLATQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(c2c[nH]c3c(F)cccc23)CCCCC1	232823745	DYIUNASBHMECEI-UHFFFAOYSA-N	231.314	4.529	0	10	BJAE	
CCC1(CN[C@H](C)c2ccccc2C)CCCC1	233095158	QPPRAFWYPKMMIL-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)C1=CCCCCCC1	233289802	BGYAWGCKZMNEPE-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
Cc1cccc2c1NC[C@H]2[C@H]1CCCCC1(C)C	235918080	QVULLWWSKYORPP-HUUCEWRRSA-N	243.394	4.721	0	10	BJAE	
Cc1ccc2[nH]cc(CCC3CCCCC3)c2c1	235989114	FHYFYDRHROPUNF-UHFFFAOYSA-N	241.378	4.989	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCC(C)(C)C1	251889987	VXQZZPZSDRCHJG-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](N)CCCC(C)(C)C	300840771	JRAUVMDTDRAWBE-CYBMUJFWSA-N	213.409	4.501	0	10	BJAE	
Cc1cccc(CCC(=O)CCCC(C)(C)C)c1	302327429	RSBCQOZPJXISTL-UHFFFAOYSA-N	246.394	4.713	0	10	BJAE	
CC(C)C[C@@H](C)CC(C)(C)CCNC(C)(C)C	302327794	KMBGMGHZZHHOHV-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](Nc1c(C)cccc1Cl)C1CC1	304392169	YVQVDYSMDJTOND-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
C[C@H](N[C@H](C)CCC(C)(C)C)c1cccs1	304431681	SUJBDBUTYWACHZ-NEPJUHHUSA-N	239.428	4.614	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1N[C@H](C)CCC(C)(C)C	306054064	QIJCRWHRQKGQAV-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1NCC(C)(C)C1=CCCC1	308758269	RDQQYQWDTMRIMU-HIFRSBDPSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)CC1CCC(C)CC1	310100010	BBKULHBXKDLUEB-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(CN)CCCCCC1	310198106	ZQPSTRSQYBFLIE-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCCCC1CCCC1	310293118	KFQJMZACHWQFNA-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@H](CCC)C[C@@H]1CCC[C@@H](C)C1	310384935	HNDNCYFYQATOTN-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)c1c(C)cccc1C	310574693	IBIHEYQJOYBAGD-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CCc1ccccc1C(=O)C[C@H]1CCC[C@@H](C)C1	310726596	ACLVPPCHKABMDV-KGLIPLIRSA-N	244.378	4.648	0	10	BJAE	
CCCCC[C@@H](N)c1ccc2ccccc2c1F	310930423	CBWRBPMXDSSYKE-OAHLLOKOSA-N	245.341	4.559	0	10	BJAE	
CC1(C)CCC(CNC2CC2)(CC2CCC2)CC1	319321240	GNIRRFSDHRMSGT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC(C)C)c1cc(C)cs1	379241897	XFUQCXQAAUVDHZ-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCNC[C@@](C)(CC)C[C@H](C)C1CCCCC1	379919794	QBVSOHJQTMNAMO-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](c1ccc(CC)cc1)[C@@H](C)CC(C)C	381066858	YYMZKAQMCCPFMP-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C(C(C)C)C(C)C	381370361	PRQHUMARRJJYHD-KRWDZBQOSA-N	247.426	4.738	0	10	BJAE	
CC(C)(C)c1nc([C@H]2CC3CCC2CC3)cs1	382134479	MZLKGYFDEBIURQ-MCIGGMRASA-N	249.423	4.734	0	10	BJAE	
CC[C@@H](N[C@@H](C)c1cccc(C)c1)C1CCCC1	382814254	WLSIRNAJSPTNAT-WMLDXEAASA-N	245.410	4.614	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)CC1(C)CCCC1	383933087	FUTQPXDWSIQNAH-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1CCCC[C@H]1C	384521946	KFFBRLMMXSIBKT-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(C(=O)CC2CCC(C)(C)CC2)o1	385291162	PCNRFDLARGANMH-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CC12CCCCC2	387125254	LCAMJNMPMXVAGL-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)[C@H](NCCCC1CC1)c1ccccc1	394443639	LVWNUVGARWGOBT-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C(CC)(CC)CC	395112272	CPTKNTNXUITQKL-MRXNPFEDSA-N	248.410	4.889	0	10	BJAE	
CC(C)Cc1ccc([C@@H](N)[C@H](C)C(C)(C)C)cc1	399213079	VTCJVVPRZJSAFR-BBRMVZONSA-N	247.426	4.567	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H]1NCC12CCCCCC2	401660769	PJTRHSFHFCIUAI-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C[C@H]1CC=CCC1	402302710	CXSCDNOPZOOKNP-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H](CCCC1CC1)c1cccc(C)c1	405715170	BHQSNTJRJMMLGK-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCC(C)(C)C1CC1	405831416	SXFNFRNNVSKOEP-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](CCCC1CCC1)NCCC	688369376	PXAVOHUMXHBYOK-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCNC[C@@H](CCC(C)(C)CC)C1CCCC1	696676698	DVSDNDJTBJXOTE-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CNCC)C1CCCCC1	696857901	UOJZAQIMDNHCQI-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1csc2ccccc12	697284719	HTXFMRLEQBZYJH-ZDUSSCGKSA-N	248.391	4.761	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CC(C)(C)CC	697826345	DIXMFCXQCMQBMJ-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
C=Cc1sccc1-c1ccsc1C=C	697895036	HUUVTVAAMPKMDP-UHFFFAOYSA-N	218.346	4.763	0	10	BJAE	
CCC(C)(C)CC(=O)c1cccc(C(F)F)c1	701234790	RTZXCPPSMLZWMU-UHFFFAOYSA-N	240.293	4.633	0	10	BJAE	
CC1(C)CC(C(=O)c2csc3ccccc23)C1	701498639	YDBGTCMMRVRRRB-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CCC(C)(C)C1CCC(NCC2=CCCC2)CC1	702332478	GIYPMRYGDAXJLB-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccc(C)cc1Cl	704562031	RQDTVFQKZFVJHG-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
C/C(=C/CCNC1CC1)C[C@@H](C)CC(C)(C)C	709085571	ODDBSOSBARSIPK-SVSAJMPUSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@H](C)CC(C)C	709144358	SFSCYXNTNXJHGZ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@@H](C(C)C)C2)cs1	710757031	BOTXGALJXJYRDA-OLZOCXBDSA-N	237.412	4.683	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C[C@H]3CC[C@H](C3)C2)CC1	711010889	SWAIGUGBQXPKKQ-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C[C@]1(CNC2CC2)CC=CCC1)C(C)(C)C	711197765	GDODSCDGEVLBOT-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)C1(C)CCCCCC1	713230030	QISUECGXTKDHKZ-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@](N)(CC1CC(C)(C)C1)C1CCCC1	723578714	JMVLZSIWHBFSSO-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
C=C/C=C/CCSCc1ccc(Cl)cc1	1164572430	JQCMWRGKDOIXAF-ONEGZZNKSA-N	238.783	4.706	0	10	BJAE	
C[C@H](CN1CCCC(C)(C)CC1)CC(C)(C)C	1559572179	OVDCIJFTUULDEJ-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
C[C@H]1CCC[C@H](CSc2cccc(F)c2)C1	1613589784	HPUXIGHQQQLJED-RYUDHWBXSA-N	238.371	4.744	0	10	BJAE	
FC(F)c1cc(C(F)(F)F)c2ccccc2c1	1848365980	SRYKZULMVYSASZ-UHFFFAOYSA-N	246.178	4.796	0	10	BJAE	
CC[C@@H]1CCCC(=C2CCc3cc(N)ccc32)C1	1877032906	SPNUJQTXEBFHGZ-GFCCVEGCSA-N	241.378	4.569	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(CC)CCCC1	1905430697	DGKVBGYOTAXLRM-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@H](C)C1CCCCC1	1910660519	FDSUBBIPCYYBDX-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@@H](NCC)C1CCC(CC)CC1	1912078553	VMJWWZDJXYGWPS-OFLPRAFFSA-N	249.442	4.703	0	10	BJAE	
CC1(C)C[C@H]1C[C@@H]1CCCCCCCCC1=O	1913380658	MYJHMTBBHMCSBR-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCC=CCNC1CCCCCCCCC1	1914671155	FQIGZRSRICKWPW-UHFFFAOYSA-N	237.431	4.825	0	10	BJAE	
CC(C)C1(CN[C@H]2CCC3(CCCC3)C2)CCC1	1916509641	XURZGTVZEGDGQJ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](C)(N)c1ccc(CCC)cc1	1920480831	GKSCOEYXIJHQCO-KRWDZBQOSA-N	247.426	4.783	0	10	BJAE	
CC1(C)C[C@H]1CCOc1cccc2ccccc12	1921469966	OBZHAOZSJNIVGK-CQSZACIVSA-N	240.346	4.655	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1NC[C@H]1C=CCCCC1	1925943050	PECHYPZZNJSFQZ-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](N)CCCCCCC(C)C	1933337828	IUHSSEOGSGFYCL-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCNc1ccc(Cl)cc1	1935935108	FYGMOOBOQLOXGX-LLVKDONJSA-N	237.774	4.578	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CCCCCC1CC1	1936413260	RGCYGOPJIWINHS-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1sccc1CC	1938210320	YWRGZXGSHGSTQH-YPMHNXCESA-N	240.412	4.560	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2(C)CCCCC2)C1	1940378134	IZKXJNJEOSZSRI-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(C)cc(OCC2(C)CCCCC2)c1	1940382482	GCOMMMLESIWZML-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
C[C@@H](NCCCC1(C)CC1)C1CCCCCC1	1940874395	UPQKGHMNBTZJHU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](C)(CCC[C@H]1CC1(C)C)CNC(C)C	1940874989	WJFRADHNGXUTET-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)CCC1CCCC1	1940879749	YMRJJJVEULQFFI-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@@H](CC(C)C)C(C)C	1941266684	IRZVOLYXLBIJHB-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(O)CCCC1CCC1	1941469827	IOXQQELMOABZIA-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(O)CCCCCC1CC1	1941577181	XSLOGZCJKWMONX-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)C[C@H](C)CC(C)(C)C1	1942665184	WDBYUOBVZOVFBO-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@@H]1C)C(CC)CC	1944832266	NAKKPZJTUMIKGG-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@@H]1C)CC(C)(C)C	1944844785	CBLUANPOLBUIRS-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H]1NCCC1(C)CCCCC1	1945432094	JYRMLSFKQMHURN-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cccc(SC)c1	1947464144	QMBGMVFFSVFCRG-SWLSCSKDSA-N	249.423	4.789	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC[C@H]1C(C)C	1947516484	UIJIVODTJDBWDC-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2C=CCCC2)cc1	1947562762	RPCBBQZGMBSXGY-AWEZNQCLSA-N	230.351	4.545	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)NCC1(C)CCCCC1	1948324772	CJTSYAGIVZMZIV-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)[C@@H](C)CC(C)C)c1	1948327151	OMKBZYYROUCVMZ-QWHCGFSZSA-N	237.362	4.617	0	10	BJAE	
CC(C)(C)CC[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948596745	RZYIJCFUMBZABA-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@]1(O)C[C@H]2CCCC[C@@]2(C)C1	1948597467	XZOUXVUOWDVIAG-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCC(C)(C)C1CC1	1949032118	IYUSFBONKSIWJD-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
Cc1cc([C@@H](N)C[C@H]2C=CCCCC2)c(C)s1	1949125329	VQYCAVOBRIZUOJ-ZFWWWQNUSA-N	249.423	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC3(CCC3)C2)c(Cl)c1	1968289237	KISWRJMEYTZMQK-GFCCVEGCSA-N	249.785	4.783	0	10	BJAE	
CCC[C@H](C)CN1CCC[C@@H](C(C)(C)C)CC1	1969638578	WCFKBBSURDQYGY-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2C[C@@H]3CCCC[C@H]3C2)C1	1970280851	LAXDDIDGDHENBH-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)c1csc(C)c1	1970829821	RMHLTUKZCYYCOH-GXTWGEPZSA-N	239.428	4.676	0	10	BJAE	
CC1(C)CC[C@H]1NC(C1CCCC1)C1CCCC1	1972323254	QAGDAJGQOVOJLL-OAHLLOKOSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NC2CC3(CCCC3)C2)C1	1972913915	JLFQOVPBOQVDLP-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCC(=O)CCC[C@H]1CC1(C)C	1978429273	ZAINSIQMNCSEDO-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)C[C@H]1CCCCCCCC1=O	1980319945	XGZBWSCQGPCVBY-CQSZACIVSA-N	224.388	4.742	0	10	BJAE	
CCC1([C@H](N)CCCCCC(C)C)CCC1	1988425960	RZQGLZAOKIFKHN-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)N(C)CC(C)(C)C(C)C	1990124429	YOXXDFDPTKDTQX-CQSZACIVSA-N	227.436	4.569	0	10	BJAE	
CC[C@H](CC(=O)CC1(CC)CC1)C(C)(C)C	1990599708	MVUNOUZZEOCBGA-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC=C(CC)C1(O)CCCCCCCCC1	1992050894	DBCZWBUKUHLLKM-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@](C)(N)C[C@@H]1CCCC(C)(C)C1	1994028427	COYPNAVBSZMYDV-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC(C)=C(C)CCc1ccc(C)c(C)c1F	1994143093	VYLAUJALLDKSHI-UHFFFAOYSA-N	220.331	4.731	0	10	BJAE	
C1CCC(N2CCCCC23CCCCC3)CC1	1995811959	BGORGLYPZGNMOS-UHFFFAOYSA-N	235.415	4.508	0	10	BJAE	
CN(C1CCCCCC1)[C@@H]1CCCC(C)(C)C1	1995835422	MAQXZFRSEAMJSS-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CC1CCC([C@](C)(O)CC2(C)CCCC2)CC1	1996545893	DMTVNCRGOJQDHY-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(CC(C)(C)C(C)C)C1CCCCC1	1996548611	RSUPIMCVDIPYGA-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC([C@](C)(O)CCCCCC2CC2)C1	1998646034	PKFROARTOFZKBZ-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)C[C@@H]1CCC=CCCC1	1999980389	BSCGPOJTKNMHKB-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)[C@@H]1CCCC(C)(C)C1	2000054625	AWAAJKFTEIXAPT-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC(N)(CCC)CC1CCC2(CC1)CC2	2003218829	UWABTFVPCXWMGG-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@]1(C)C=CCCC1	2003324208	VETLKZPOHBYILN-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCCC1(O)C2CCCC1CCC2	2003361816	ZSYONABXTZGFOU-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)CNc1cc(C)ccc1F	2004707658	ZMIGBIKSYHQLKX-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H]3CC[C@@H]32)c(Cl)c1	2004797578	PGMZTCNOSAOTEN-SGMGOOAPSA-N	249.785	4.639	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)C[C@H](C)C(F)F	2008579301	FEQVSRZRLNGHAT-GXTWGEPZSA-N	249.389	4.602	0	10	BJAE	
C/C=C/CCC[C@H](NC)C1CCCCCCC1	2009633692	BEPTWSRUMAHUTO-CWDCEQMOSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)C[C@H](N)C1=CC[C@@H](C(C)C)CC1	2010749925	SMEDKZCGVILTOV-ZBFHGGJFSA-N	237.431	4.523	0	10	BJAE	
CCC[C@](N)(CC[C@]12CCC[C@@H]1C2)C(C)(C)C	2011018954	HPMCMWLMXDWPFD-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@]3(C)C[C@H]23)cc(C)c1Cl	2013053591	BAXAGNWOJJOMQU-NFAWXSAZSA-N	249.785	4.557	0	10	BJAE	
CC(C)CCCCC[C@H]1CCN[C@H]1C(C)(C)C	2014549187	KCNMJBMLADBRLI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@H]1CCC1(C)C	2014857959	GUHGIILLCHRDBU-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@](C)(N)[C@@H]2CCC2(C)C)CCCCC1	2014883283	WKNCEFFGBNMJKZ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(CCC(=O)[C@@H]1CCC1(C)C)C(C)C	2015390494	MEVNVJYEIWZUJZ-AWEZNQCLSA-N	238.415	4.700	0	10	BJAE	
CCCC1(CSc2ccc(C=O)cc2)CCC1	2015593967	GMWXNSKKCHFCDL-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCCN(CC1(CCC)CCC1)[C@H](C)CC	2015594682	SKSQYPHGBHFMQY-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCCC1(C[C@H](NCC)C2(C)CCC2)CCC1	2015635437	OPXUKLRPFRKEBN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2C[C@@H](C)CCC2=O)CC1	2017775931	IPCDBWZOPRUIAF-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)CC[C@@]12CCC[C@H]1C2	2018128475	AWPCBGRISVPNMO-ARFHVFGLSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@]1(CC)[C@@H](CNC(C)C)C1(C)C	2018133128	AIGICINCMIXZTF-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@]2(N)CCCCC[C@H]2C(C)C)CC1	2018987638	MHJVNSHQROQRIS-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CN1C[C@H](C)C[C@H](C)[C@@H]1C	2019192149	SFKOVVBBIUJPBK-UGUYLWEFSA-N	239.447	4.569	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N(C)C1(C)CCCCC1	2019199544	LFVYQWZBFQCBRR-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
CC(C)CCCCCN1CCCCC12CCC2	2019343036	VDZCRQLNOCYNPI-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC(C)(C)C(=O)C[C@H]1C[C@H]1C1CCCCCC1	2022552758	ACGAFSKHIXTWRW-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C(=O)C[C@H]1C[C@H]1C1CCCCC1	2022557450	OJVYJFWIMTWBCV-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](C)(CNC)C[C@H]1CCCC(C)(C)C1	2024095232	PYWXNHPTZXCLGS-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(F)ccc1C(=O)CCC[C@H]1CC1(C)C	2027843756	SWQYUAGSIHEONS-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)c1ccc(C)c(C)c1	2028261308	GVZLWMROJWFPSX-IAGOWNOFSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)[C@@H](CC)C(C)C	2028261989	ITMLLQXLKLCJER-DLBZAZTESA-N	247.426	4.718	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2ccc(C3CC3)cc2)C1	2028589644	BJWAJYNZGSAMAV-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
Cc1oc(C)c([C@H](N)CCCCCC2CC2)c1C	2028633271	HGUIGGNAELDMBN-OAHLLOKOSA-N	249.398	4.565	0	10	BJAE	
CC1(C[C@H](N)[C@]23CCCC[C@H]2CCC3)CCCC1	2031757200	GSIHIWCFBPFXQM-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC(C[C@@]2(N)CCC23CCCC3)C[C@H](C)C1	2031828351	RFYNTFVEYVEFHI-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C(C)(C)C(C)C)cc1	2032270826	DCKXNATYSBWEEE-BBRMVZONSA-N	248.410	4.916	0	10	BJAE	
CC(C)(C)NC[C@@]1(C[C@H]2C=CCCC2)CC1(C)C	2035603883	XJNFDTRXXCTWAM-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)[C@@H]1CCC2(CCCC2)C1	2037583201	NKBXNAQMWLMAOB-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]([C@H]2CCC3(CCCC3)C2)C(=O)C1	2037682230	LAYUFQAPFWNYGT-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)c2ccccc2C(C)(C)C)C1	2037683958	WPUYINVWSDYGJP-OLZOCXBDSA-N	244.378	4.603	0	10	BJAE	
CCN[C@@H]1C[C@H](C[C@@H]2CC=CCC2)CCC1(C)C	2037866312	YDRLEOTWTKZSSF-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@H]1CC12CCCCC2	2038999283	JNTJNFQROLDNFG-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@]1(CNC)CCCC(C)(C)CC1	2039379972	DWJGGEFFCQYVJB-KRWDZBQOSA-N	249.442	4.705	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)[C@@]12CC[C@H]1C2	2039752649	QVUTUISSESBRHG-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H](C)CC1)C12CCC(CC1)C2	2039864910	KRQLOAGOWWVIAX-QSFKDOLUSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2CC3(C2)CC(C)(C)C3)C1	2040149347	KTAFOGRUNPVWJZ-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cc2cc(C)ccc2o1	2040724387	VGEDOHDLHGTCPW-OAHLLOKOSA-N	246.350	4.601	0	10	BJAE	
CC(C)NCC1(CCC2=CCCCC2)CC=CC1	2042090595	CEILIELJWYBWNC-UHFFFAOYSA-N	247.426	4.601	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1CCC2(CCC2)C1	2043603231	DOFZRRQMOQMIFY-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@H]2CCC=CCCC2)[C@H](C)C1	2045309313	FQELKJGRRBMCCA-XUWVNRHRSA-N	248.410	4.764	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@H]1CCC=CCCC1	2045322399	DZIPCWAZQOQWIT-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCC=CCCC2)c(F)c1	2045330852	ZMFJSKHCPGKYNL-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CCCc1ccccc1C(=O)C1(C(C)C)CCC1	2045564844	KZCNJBLBFKVFCP-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCC(CC)(CC)C(=O)c1coc2ccccc12	2045606172	RCLRVWPGGFENED-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CCC[C@H]1CC1(C)C	2045681204	VYRXNUXNHONHEA-DZKIICNBSA-N	248.410	4.764	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@H]1C=CCCCC1	2045683045	UWKIQMDXQXNCTQ-YQQAZPJKSA-N	246.394	4.684	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC2CC3(CCCCCC3)C2)C1	2046309370	AKBXITUUTZBPEO-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
C[C@H](C[C@]1(N)C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2046480393	RTOCCBYHONXDNG-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCC1)C[C@@H]1CC12CCCCC2	2047057993	FRZKHQPAAUQIHE-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1CC(C(=O)C[C@@H]2CC23CCCC3)C[C@H](C)C1	2047061975	JYPVBRNEPZNLIM-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1[C@H](C[C@]2(N)CCCCC23CCCCC3)[C@@H]1C	2047558429	UZPOGVROCVTRQR-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1N[C@@H]1CCCCC12CCCCC2	2047586063	GVURZYCLJTYPBS-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2[C@H]3CCCC[C@H]32)CCCCC1	2048442551	WJLYIGLKKUHNEC-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@H]2CCC[C@H](C)C2)c1C	2049538148	XBOKJOJJPPCDHF-MAZHCROVSA-N	245.410	4.930	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@H]2CC[C@H](C)CC2)cc1	2049683601	HCKFMKCNUASUGR-QRTARXTBSA-N	245.410	4.636	0	10	BJAE	
Cc1cccc([C@H](N)CCC2(C)CCCCC2)c1	2050456816	VFACLJHOEXIBRS-MRXNPFEDSA-N	245.410	4.745	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCC[C@H]3CC[C@@H]32)CC1	2052298795	FALLFZRPBPKIAG-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](c1coc(C)c1)C1(C)CCCCCCC1	2052474191	YOIXYGVTYHILAQ-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)CCCC31CC1	2053302088	FUMAPMFZLIUJAE-UHFFFAOYSA-N	239.362	4.659	0	10	BJAE	
CCCC1CCC(N)(C2CC(C3CCC3)C2)CC1	2057491631	UEKKKDFCVGRAFB-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C1CC(C2CCC2)C1	2057497705	KZLREOXYOIMCBV-DQPZFDDXSA-N	249.442	4.501	0	10	BJAE	
CN(CCC1(C)CC1)C1CCC2(CCCC2)CC1	2059247698	UDQOYDHRAVVRNA-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CN[C@@H](C1=CC[C@H](C(C)C)CC1)C1CCCCC1	2061089034	QIYXUZKHNBSBFT-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C(C[C@H](N)c2ccccc2C)CC1	2061142993	HFCAOAVTDLCNIU-PBHICJAKSA-N	243.394	4.521	0	10	BJAE	
C=C=CCC[C@@H]1C[C@H](CCC)CC[C@@H]1CNCC	2061563104	LNAUEDNUUXQUNA-BRWVUGGUSA-N	249.442	4.550	0	10	BJAE	
CC(C)NC[C@]1(CCC[C@@H]2C[C@@H]2C)CC=CCC1	2062645002	BVXVAEDSGUBMKF-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNc1ccccc1C(C)(C)C	2062653143	QWKWQYCAIYTGJT-KBPBESRZSA-N	245.410	4.832	0	10	BJAE	
C1=CCC[C@H](CN2CCCCC23CCC3)CCC1	2063283398	BTTXCOCPDKFHLE-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
O=C(CCC1C[C@H]2CCC[C@@H]2C1)CC1CCCC1	2063423817	MLWUCDQMZQUOIX-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC1(CC(=O)C23CCCC2CCC3)CCCCC1	2063851396	JDUGKVGINJIEQB-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CC[C@@H](N)[C@@H](CC23CCC(CC2)C3)CC1	2065337214	KTRBRWADTWAUTP-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
C1CCCC2(CC1)CCC(NCC1CCC1)CC2	2065892399	LOAAMEZNBZXLBX-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)c1ccc(C)cc1C	2068823412	QWORZFPMOWUAOH-PBHICJAKSA-N	247.426	4.636	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)C1CC(=C2CCC2)C1	2068836035	GXKZJTBOQRTYIA-GUYCJALGSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1(CC2CC2)CCC1	2069522142	UFDHKXCTSVEAED-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2071196147	VAFCIFODYBAFIQ-NCOXYXGASA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@](C)(NC[C@@H]2C=CCCCC2)C1	2072607691	JRRFQCXCTPMDNS-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@]23CCCC[C@@H]2C3)CC1	2072797185	WYAWNDBNQYGWBW-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H]2C[C@@H]3C[C@@H]3C2)CC1	2072878592	OOLWSRMCBJLWRX-JHJNDJDLSA-N	248.410	4.598	0	10	BJAE	
C[C@]12CCC[C@@H]1N([C@H]1C=CCCCCC1)CCC2	2074798967	GZCJNAWBNHYPKO-YESZJQIVSA-N	247.426	4.530	0	10	BJAE	
CCc1ccc(N(C)[C@@H]2CCC[C@H](CC)C2)cc1	2074892617	OOPNEPCNCLCCGV-DOTOQJQBSA-N	245.410	4.654	0	10	BJAE	
CCC(CC)CCN(C)C[C@H](C)c1ccccc1	2075138934	RHWFCWTYFJDSLJ-HNNXBMFYSA-N	247.426	4.548	0	10	BJAE	
CC(C)(C)c1ccccc1O[C@@H]1C=CCCCC1	2075407718	KEEFBHFCXIVRLB-CQSZACIVSA-N	244.378	4.862	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CCC3(CC2)CC3)[C@@H]1N	2076396401	UDQQBSCWOBJTQK-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NC[C@H]2C[C@H]2C2CCCC2)cc1C	2079642247	SMKJMLULJIMHDI-WBVHZDCISA-N	243.394	4.542	0	10	BJAE	
CC(C)c1c(C(C)(C)C)nn(C(C)C)c1Cl	2079769210	PXLDKWZBUAVKEY-UHFFFAOYSA-N	242.794	4.538	0	10	BJAE	
CC1(CCC[C@]2(N)CCC[C@H]3CCCC[C@@H]32)CC1	2081121594	GJBMABMMAYJXRL-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213288345	UTKUKUDLUHNBGH-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](N)CCCCCCC1CC1	2213576361	PACAUHYATIXUFO-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@H]2C[C@H]2CC)CC1	2215256803	SDXBLHAIYJTCLA-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CCCCC(F)F)CNC(C)(C)C	2216436243	XPKNAHYAFZIYJP-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
C[C@@](N)(CCCCCCCC1CC1)CC1CC1	2216859949	KVRTYFMAUNJKGS-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)NC[C@@H](C(C)C)C1CCCCCC1	2217144615	HKBZUDXRAZRXQX-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218329169	AVGQJLRRGFACLO-MUJYYYPQSA-N	248.410	4.908	0	10	BJAE	
Fc1cccc(CCC=Cc2ccccc2)c1F	2219079060	UYHCBNOGUMYEDM-UHFFFAOYSA-N	244.284	4.611	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1n1ccc2cccc(F)c21	2220310611	ISFCHEGCEDABSE-WFASDCNBSA-N	245.341	4.922	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C2(C)CC3(CCC3)C2)C[C@H]1C	2221007122	ZOTILGSBMCGIBY-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@H](N)CC2=CCCCC2)CC2(CCC2)C1	2221013743	NARCYXQMPAWFAX-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc([C@H](O)CCC2(C)CC(C)(C)C2)cc1	2221023051	MWKNWYNFQOYRAZ-OAHLLOKOSA-N	246.394	4.635	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2221643284	MRIUWMCLXSNMCB-JKQORVJESA-N	246.394	4.518	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CN[C@@H]2CCC[C@H]12	2223130540	NSFLXTJHZHRFHG-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](N)c1ccc(C2CCC2)cc1	2223698579	SIYQEEOMHKVVSG-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(N)CCCC1	2244837923	RLKXGZRFINBQLD-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)CC(C)C	2244847709	RXXVPIBFSQBPML-HUUCEWRRSA-N	227.436	4.602	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CCC1(C)C)CC(C)(C)C	2247401874	XKBWCFFSRIRATB-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H]1CCC1(C)C)NCC	2247447556	MYOCVLDAWBOOQY-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Clc1cccc2ccn(CC3=CCCCC3)c12	2247514624	OBVWYZASTQBFGW-UHFFFAOYSA-N	245.753	4.795	0	10	BJAE	
CC(C)CCCCNCCCCC[C@@H]1C[C@@H]1C	2248867024	SRIXBLQYRNYORN-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@H]1CC[C@H]1C	2250485803	OJTDPDBFFSQVGS-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@]1(C)CC1(C)C	2250489824	CHRZITKDIMMWTR-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCCC[C@H]1N	2250513054	DAEXLROWKROTKD-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C(=O)C[C@@]12CCCC[C@H]1CC2)C(C)C	2251159512	UMASTFCBHPIGBD-DZKIICNBSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@@H](O)C1CC(CC(C)(C)C)C1	2251535359	MTUCBYHHXVULJV-YMAMQOFZSA-N	238.415	4.556	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@H]1CCCCC12CC2	2253810998	LJDVMUIHVAWESH-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1	2253934111	GAJYYFDQYYKBEE-NMNMXBMNSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC(C(=O)CC2CC3(CCCC3)C2)C1	2254123772	JSSAZIHQXGKUMR-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1CC2(CCC(N)CC2)C1	2254521440	LDPDQWBCZCQHOK-QRUVOMJDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@H]1CCCC12CC2	2255247826	SHPQEHNVJPCECS-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@]12CCCC[C@H]1CC2	2260484941	AUIFYQXVNSJEIV-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(C[C@]23CCCC[C@@H]2CC3)C1	2260645009	FRSSKUGDQCTSQJ-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@]23CCC[C@@H]2CC3)CC1	2260655925	DURLJVZGOFHGPH-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CCC1CC(C[C@@H]2CCNc3ccc(F)cc32)C1	2261339461	QLINAARZMRBGSV-BPCQOVAHSA-N	247.357	4.551	0	10	BJAE	
C=CC=CCCN(C)[C@H]1CC(C)(C)CCC1(C)C	2261438701	NTJXSGWBRKINKM-HNNXBMFYSA-N	249.442	4.655	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@H](C)CC2CCC2)CC1	2298877247	BDFNEUDWMZEWIO-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@H](C)CC1CCC1	2298917055	UICZGUPHFSFLFX-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCOC(=O)C(CC)(CC)CCC(CC)CC	2300685428	FITNACIVFLRTBZ-UHFFFAOYSA-N	242.403	4.572	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cc(F)ccc1C(F)F	2300826777	RAIMVQXKJAXXPT-DTWKUNHWSA-N	245.288	4.610	0	10	BJAE	
CC(C)C1([C@@H](O)CC2CCCCCC2)CCC1	2301212041	XPWSNVBPDWOTEM-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](N)CC1CCCCCC1	2301245352	VWVQJFWPBMUXDT-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC1(C(=O)c2cc(C3CC3)ccc2Cl)CCC1	2301339993	ZCRXSADUQIYGHR-UHFFFAOYSA-N	248.753	4.590	0	10	BJAE	
CC1(CCC[C@@H](N)CCC2=CCCCC2)CC1	2301901859	GAPYPAZAHRFJDV-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)CCCC1=CCCCC1	2302359771	UVQGZUDDSQCZIV-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](CC(O)(C(C)C)C(C)C)CC1	2303518876	CDKSQJJRRNIYPS-HNNXBMFYSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@@H]1CCC(C)=C(C)C1	2303523507	KKJXHQQWLSEBFT-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCc1cc(F)cc(NCCCC(C)(C)C)c1	2304013752	FFCMRFCWXKVJAE-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
CC(C)[C@H]1C[C@H]1c1cc(Cl)c2ccccc2n1	2304042922	BRDDHSXCLCURBK-VXGBXAGGSA-N	245.753	4.648	0	10	BJAE	
CC(C)c1ccc(-c2c(F)ccnc2Cl)cc1	2304352813	VSHGSZVIVBYPTJ-UHFFFAOYSA-N	249.716	4.665	0	10	BJAE	
CC(C)=CCC(=O)c1cccc(SC(C)C)c1	2307559401	NOMHQWREGVOTRN-UHFFFAOYSA-N	248.391	4.726	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CC[C@H]2CCCC[C@@H]21	2307828115	FNVQWHUQFCCLHC-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](C(C)(C)C)CCN1	2307894430	MQXFSJHAJIDVER-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1cc(C)cc(C)c1	2307901718	IYIHEJUTYGRGGQ-HOCLYGCPSA-N	233.399	4.520	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC[C@@]23CCC[C@@H]2C3)CC1	2310386160	DCZZUFJYIFUPAQ-OIISXLGYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](C[C@@]23CCCC[C@@H]2C3)C1	2311163007	XFQGXXYFQZQQCT-KLZNWCGWSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(CC)c1N[C@@H](C)CC1CCC1	2313598182	FDHBAEYGMDBIGO-ZDUSSCGKSA-N	245.410	4.802	0	10	BJAE	
CCN[C@@H](CC=C(C)C)c1ccc(C)c(CC)c1	2314700367	SIWZNDZWEMVTTO-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC[C@]1(C)NCC[C@H]1CC[C@@H]1CCCCC12CC2	2315195311	KYELESUJVKUVHO-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(=CCNCC1=CCCCC1)CCCC(C)C	2316490433	KSLZQVLHJQXVDQ-UHFFFAOYSA-N	249.442	4.849	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317113703	NWZCIQWYPJYFTE-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCC[C@H]1C[C@H]1C)C1=CCCCCC1	2318934592	XTUBAVKPCWQZOI-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2318944610	RPDZLZWAICRMPC-LYHPXFHOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C[C@]2(N)CCCCCC23CC3)C1	2319033866	GHSDWKWGKLBNBK-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC=CCCC[C@H](C[C@H]1CC[C@H]1C1CC1)NCC	2319541179	GAOREYRZKOPUAU-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN2[C@@H](C)C[C@H](C)C[C@H]2C)CC1	2320387058	CVKYJZLATJSAQJ-VDNDLQMASA-N	249.442	4.632	0	10	BJAE	
CCC(C)(C)CC(=O)Cc1cccc(C(C)C)c1	2320623980	QQDVRGXPTRBDOT-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
CC(C)CC12CC(C(=O)C3(CC(C)C)CC3)(C1)C2	2321587718	BLYDEKOEHYUWSS-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cccc(Cl)c1Cl	20017957	JVJNWVZUQRNYCL-DTWKUNHWSA-N	246.181	4.840	0	10	BJAE	
Cc1cc([C@H](C)Nc2ccccc2Cl)c(C)o1	20438239	LILKSGZCSRLUKZ-JTQLQIEISA-N	249.741	4.723	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1CCCCCCC1	35257213	VLGHYWPZBWBZMP-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
CCC[C@H](C)CN[C@@H](CC(C)C)c1ccccc1	37042745	KUQCPAXIXLCURY-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
CC[C@H](N[C@@H](C)c1cc2ccccc2o1)C(C)C	37301592	NDFCKNOAVQZHEW-JSGCOSHPSA-N	245.366	4.518	0	10	BJAE	
C[C@@H](Nc1cc(Cl)cc(Cl)c1)C1(C)CC1	37467762	XAUDYCSJGBYBDM-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
COc1ccc(-c2ccc3ccccc3c2)cc1	38302552	HMJIYPQPQDOHRP-UHFFFAOYSA-N	234.298	4.515	0	10	BJAE	
Cc1ccsc1[C@H](N)C[C@H](C)CC(C)(C)C	42728916	ZUEDXGUELSJYHS-CMPLNLGQSA-N	239.428	4.519	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CCC)CNCC	71126869	JYQODBJYGYWYQW-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCC[C@H](C3CC3)C2)c1	91510730	WZXKQBOXAJHUIX-DZGCQCFKSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@H](CC)CNc1cc(C)ccc1F	104019429	OUBVTEKMDQRIMR-ZDUSSCGKSA-N	237.362	4.762	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1sccc1C	107541948	LEYKYHXLOMSLRG-ZHRWSRJISA-N	208.370	4.906	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H]1CCC[C@H](C)C1	110462866	DZQOMFOEZDPLOW-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](C)c1ccc(C)c(C)c1	111664475	BYMGCGKIGFJJKZ-CABCVRRESA-N	247.426	4.779	0	10	BJAE	
CCCN[C@@H](CCC(C)C)c1cccc(C)c1C	112894567	QIHLOPPUULEUJH-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCCC[C@H](NCCC)c1coc2ccccc12	123056558	UQLJLEDHOJCWGT-HNNXBMFYSA-N	245.366	4.664	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C(C)(C)CC	126813662	UXQNIVMWYMADDR-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](C)C(=O)c1ccccc1	128232749	NCXKITWURZDIIO-FMKPAKJESA-N	244.378	4.722	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(C)(C)CCNC(C)C	133933018	HCEQNZUFJFNAJD-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](N[C@@H](C)C2CCCCCC2)C1	149782166	AQIRXCMTEGZJAG-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
CC(C)CNC[C@]1(C2=CCCCC2)CCC[C@H]1C	161466775	DYPRDCNREWUQGG-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccccc1OC/C(Cl)=C\Cl	211368189	FPFDNOGDWNOZGQ-JXMROGBWSA-N	245.149	4.508	0	10	BJAE	
C[C@H](F)C1(c2cccc(Cl)c2)CCCC1	220501180	PCPBRZXGNHALMV-JTQLQIEISA-N	226.722	4.510	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H]1CCC[C@@H]1C	226827854	SFYXEOBAUYCAMC-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC[C@H](C)[C@H]2C)c1	227002899	DVIYYVKFUUBYCY-SQWLQELKSA-N	231.383	4.540	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)c1ccsc1C	227912816	SQCFYOCOHKOJDX-RISCZKNCSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C2(CC)CCCC2)C1	229480321	IXJDFYWWYRVVLK-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1scc(C)c1Cl	233332047	MGAJULMLBDXGNX-WPRPVWTQSA-N	246.803	4.570	0	10	BJAE	
Clc1ccc2[nH]cc(CC3CCCC3)c2c1	236075176	URUIUFWTMIBMPR-UHFFFAOYSA-N	233.742	4.554	0	10	BJAE	
CC[C@H](C)[C@@]1(O)CCCC[C@H]1C1CCCCC1	252619524	VRRXWEVXHFCJBB-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@H](C)[C@H]1C	253624133	IQRAYEPKCZTPNH-CAOSSQGBSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)c1ccc([C@@H]2CCC(F)(F)C2)cc1	258921315	WNNALAMFRANNEN-GFCCVEGCSA-N	238.321	4.887	0	10	BJAE	
CC(C)(C)CCCNC(C)(C)CC(C)(C)C	300784021	BOLALQKGKQZABW-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](CC)(CO)C[C@@H](C)CC(C)C	300973291	SKRLZCUCNUHABQ-GJZGRUSLSA-N	228.420	4.638	0	10	BJAE	
NCC1(CCC2CCCC2)CCCCCCC1	302242587	GAGYPTJASHCKCF-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)C1=CCCCC1	302273253	APQYJSGVQPDKKZ-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCC1([C@H](C[C@H](C)CC(C)C)NC)CCCC1	302281676	FGRQUQXWICYTHE-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H]2CC[C@H](C)[C@@H](C)C2)c1	305670139	KBWJMKCIKPGCAZ-OFQRWUPVSA-N	241.378	4.947	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(CCC2CCCCC2)C1	306009519	WOQMWOJUYDRKGK-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H](CCC[C@@H](C)CC(C)C)C(C)C	309993138	ZGGISVHURKOGAP-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(CC2(C)CCCC2)C1	310189754	ZOOVJEVPNIJRPD-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@H](CC1(C)CCCC1)C(C)(C)C	310455208	ZACOSHRARWCAGZ-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCCCCC(C)(C)CNCC1(C)CCCC1	310531349	ODPVYGRIHRFZGS-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCCCC[C@]1(O)CCCC12CCCCC2	313042126	LSMAPOXDKIZNSG-INIZCTEOSA-N	238.415	4.822	0	10	BJAE	
Cc1ccsc1[C@@H](C)NCCCC(C)(C)C	313283399	PENADVLSBMNESP-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC(C)C)CCC[C@H](C)C1	317351615	AQIHZUOTQPQBBT-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC(C)(C)C)CCC[C@@H]1C	318258274	NFGGOTUIOLVTKQ-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c2[nH]c(C)c(CC(C)(C)C)c2c1	379731014	QJDSBHNYYNYPGI-UHFFFAOYSA-N	229.367	4.682	0	10	BJAE	
CCC[C@H](Nc1c(C)cccc1CC)C1CC1	379955817	BIJHEUUMVZPNEN-HNNXBMFYSA-N	231.383	4.548	0	10	BJAE	
CCN[C@@H]([C@@H](C)CC(C)C)C(C)(C)C(C)(C)C	380079463	DQVDGUYWXPYNPT-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
CC(C)CCCCCOc1ccc(F)cc1F	383215088	CYEPZTQPNDRABP-UHFFFAOYSA-N	242.309	4.560	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@@H](C)C1CCCCC1)NC	383577354	DLKBKQNJWCDBGS-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C2CCCCCC2)C1	383874492	IJJGMDPAMXJKJI-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCc1ccc(NCC2(CC)CCC2)cc1	383888577	LIXSUTTXJCNZMK-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CC(C)Cc1cccc([C@H](N)CCC(C)(C)C)c1	384530115	BKYOVYMQGGNEKS-MRXNPFEDSA-N	247.426	4.711	0	10	BJAE	
Cc1cccc(NCCC2=CCCCC2)c1Cl	385110079	CTRCGTUVKKYABX-UHFFFAOYSA-N	249.785	4.951	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H]1CC[C@H](CC)C1	395054839	XIWUXIIGOBVUNP-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
C[C@H](CCC1CC1)NCC1CCCCCCC1	398139569	ZAQRDQMAAPJLSM-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@@H](O)c1coc2ccccc12)C(C)(C)C	404664584	YESXHFREZKAJKR-BXUZGUMPSA-N	246.350	4.539	0	10	BJAE	
CCCCC[C@@](C)(CNC(C)C)c1ccccc1	405607369	FYLXJLKJACNZCV-KRWDZBQOSA-N	247.426	4.523	0	10	BJAE	
Cc1ccc([C@H](O)CCC(C)(C)C2CC2)cc1C	406130772	WVIPJMXBUUQZRZ-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
C[C@H]1CCCCC[C@H]1Nc1ccc2c(c1)CCC2	691131438	AHRRVRNEIRWECH-SUMWQHHRSA-N	243.394	4.556	0	10	BJAE	
Cc1cccc(NC[C@H]2CC3CCC2CC3)c1C	691720016	CFSQFVWENBUHME-UYSNPLJNSA-N	243.394	4.542	0	10	BJAE	
CC(C)NC[C@@H]1CCCCC[C@@H]1CC1CC=CC1	692059129	LQHDUZISSMPTFV-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CCC23CCCC3)c1	694421993	ZQVNAWXVMFULEX-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
CCCC[C@H](CC)NCC1C[C@H](C)C[C@@H](C)C1	695299293	JERYTNUQIBSVKE-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCC(=O)c1ccc(Cl)c(C)c1	697824451	BPBTUYHMBWCWIE-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C1CC2(CCC2)C1	700829801	AFEYFEJRBROWEW-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1cccc(F)c1C	704680070	DJOPOURTGDWSAH-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C1CCC(C)(C)CC1	704936238	GKWHKNKKQRSZFA-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](N)(CCCCCC(C)C)C(C)(C)C	704937375	HXHICBRTHGJBRJ-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC[C@@H]1CC	704967444	LREAAPGTDMXBLU-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C(C)C)C1CC1	705333647	HLNZSQULARUHDG-MRXNPFEDSA-N	231.383	4.657	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@@H]1CCCC12CC2	706954846	KBEUFBFLAGVPRK-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@H](C[C@@H](C)CC(C)(C)C)NC	709092598	YFZLVRUANVEOMZ-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCNCC1(CC(C)(C)C)CCC(CC)CC1	713299034	SILRULJHPGJUDX-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
COc1ccc(Cl)cc1CCC(C)=C(C)C	718645103	KGAAXQFZFRBBKR-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)CCCC2(CC2)C1	723573073	YLCYXXLPTWGRQR-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C1=C(CS[C@@H]2CCCc3ccccc32)CCC1	1472981385	VHWODAJWMIOVJO-MRXNPFEDSA-N	244.403	4.908	0	10	BJAE	
CCCC[C@@H](CC)CN1Cc2ccccc2[C@@H]1C	1659600770	NPNZOZVVKPTQRT-LSDHHAIUSA-N	245.410	4.780	0	10	BJAE	
CC(C)CCN[C@H]1CCCCC12CCCCC2	1875414369	LVDFBWXFHYMAFZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCCCc1ccc(Cl)cc1C	1889493999	OHMHEPBMVGHCQE-UHFFFAOYSA-N	210.748	4.771	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@H]1CCC	1897517499	FGXHUQNLYJRDCR-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@@](C)(N)CCC(CC)CC	1900708752	CHOLTYXJWTXRGU-OAHLLOKOSA-N	227.436	4.891	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCCC[C@@H]1C	1900717257	NPHUALPPGYTJQP-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CCN(C)[C@@H](C)C(C)(C)CC	1900719018	XAFPCZPWAYSISV-ZDUSSCGKSA-N	227.436	4.569	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@H]1CCC(C)=C(C)C1	1902840706	GMFKIHMMXRASKR-JSGCOSHPSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H](C)C1CCCC1	1905443965	JWBAHZFSBCYJNJ-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1csc(C)c1C	1905445701	QZSAWIFRDXUSRG-JSGCOSHPSA-N	239.428	4.581	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@H](CCC)CC[C@H]1CNC	1911998344	PAMIFNWIWPIOMD-ZACQAIPSSA-N	249.442	4.561	0	10	BJAE	
CC(C)C1(CN[C@@H]2CCC3(CCCCC3)C2)CC1	1915868501	LSBDPQGAWFPAJM-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NC)c1ccc(C2C(C)(C)C2(C)C)cc1	1917176713	XXRRPHPHBSLFDE-AWEZNQCLSA-N	245.410	4.507	0	10	BJAE	
CC(C)c1ccc([C@@](C)(O)CCC2CCC2)cc1	1920045933	LRFKXBBULGOWRZ-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCCC1CC(C(=O)c2sccc2C2CC2)C1	1921286644	NXHJCHIPWZFYBG-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H]1CCCC12CCC2	1921608980	ARZNMTWPFRRAPS-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)CCCC1CCC1	1924102158	XTAWDYSKBIJSRU-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H](C)C1CCCC1	1924140684	ATFYVLNXGYEDQC-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCCC1)C1(C)CCCC1	1925891628	KHSSNGRFVRNRIT-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC(=O)c1sccc1C1CC1	1926187415	ZAQVFECFMIEVAV-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CCCCCCC(=O)[C@@H](CCC)C(C)C	1927986250	OOWRARFRHNOQPV-ZDUSSCGKSA-N	212.377	4.598	0	10	BJAE	
CCCC[C@H](CC)CC1(CO)C(C)(C)C1(C)C	1940293047	CWGVQHORAUQBQJ-ZDUSSCGKSA-N	240.431	4.638	0	10	BJAE	
CC(C)[C@]1(CCCC2(C)CC2)CCCCCN1	1940876128	KDINKNQLEMEAHB-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCc1cc(NCCCC2(C)CC2)ccc1C	1940881838	HHGITGLGZQPRBX-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)CCCCCC2CC2)C1	1941586880	NMIQBDQEBFAKRR-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2(C)CC(C)(C)C2)C1	1941988376	QQLLBGCFXCQFDP-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H]1CC[C@H](F)C1	1945209843	UPRGYGXTASXDFE-MJBXVCDLSA-N	242.378	4.546	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)[C@@H]1CCC1(C)C	1945752648	VTPKAQRBACEQOF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCNCC(=CC(C)(C)C1CCCC1)CC	1946188222	WJIJOYGZBRAHTH-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)C)CC(C)(C)F	1947084482	QCDPVXWNDXMJBG-UONOGXRCSA-N	245.426	4.565	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@H]1C=CCCC1)C(C)(C)C	1947582324	RNOVAPDYHTVLPL-RRFJBIMHSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@@H](C)CCC	1947589493	SILRPLMCSUCHTA-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCCCC12CCC2	1947879281	BLBVBKBKXJCHGW-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H]3CC[C@@H]3C2)c(C)cc1Cl	1948808114	XMFLSCAYWFKRQT-ITGUQSILSA-N	249.785	4.557	0	10	BJAE	
C=CC=CCC[C@@]1(N)CCC[C@H](CCC)CC1	1949010024	GRKOICQGVRJFDO-JKSUJKDBSA-N	235.415	4.587	0	10	BJAE	
CC(C)C1([C@@H](N)C[C@@H](C)CC(C)(C)C)CCC1	1949017692	KNLGTEWQTHLEAC-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@@H](O)[C@H]1CCC2(CCCC2)C1	1949401322	BVQJUSLJUZLENG-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
Cc1csc(C)c1C(=O)[C@H]1CC12CCCCC2	1950605261	RBUAUHQZAJSMQT-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C=CCCC2)CC1	1950930662	QNIMWCRDMHHCGK-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](CCCC1CCC1)C1(CC)CCC1	1951235041	ODXWBLMFYNGVRB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CNC1(C2CC2)CCCC1)C1CCCCC1	1970878704	VVJYUXFQQQNZBY-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(O)(CCCC(C)C)CC1	1981066069	QHXUWVDXDBEAMR-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CCC[C@H](C)CC1	1984575386	MIMJWGHUJRZDEH-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
COC[C@H]1CC[C@@H](CCCC(C)=C(C)C)C1	1985384035	HNISVRAZMHAHSB-CABCVRRESA-N	224.388	4.576	0	10	BJAE	
CC[C@H](CCC(C)C)NC1CCCCCC1	1986947635	HUHGCSORLCMWON-CQSZACIVSA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@@](C)(O)C1CCC(F)(F)CC1	1996555502	WNWRKGXJTYQPQS-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@@H]1CCC(C)(C)C1	1996611718	DUDKVSAXHARIHY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCC[C@H](CC)CC1	1996614722	BLKCABVWTJKDQQ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@]1(C)CC=CCC1	1997552944	VAWTVMVFIHUNSE-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@@H]1C=CCCC1	1998377056	IXPBLAYFMKAAOO-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H](C)C1CC(C)(C)C1	1998638527	ISCASJGMIPMQQL-KCQAQPDRSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(N)c(S[C@@H]2CCCC(C)(C)C2)c1	2000047535	IKIARDKLOUJQNP-GFCCVEGCSA-N	249.423	4.638	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)[C@@H]1CCCC(C)(C)C1	2000062537	MVKJZWNDMLXQKF-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(=O)CCCC1CC1)C1CCCCC1	2000212232	UGOSUGGBTIXASG-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1CC2(CCC2)C1	2000219867	YDHIZIWHYAUGAO-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCNC1CC2(CCCCCC2)C1	2000672970	PDCHNQBFHXYKAW-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](C)(CNCC(C)C)CC1(C)CC1	2002513775	DSKKGNSHIMATRI-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC([C@@](C)(N)CCC2CC2)CC1	2002924059	DYUNHRININGKRS-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC1CC1)NC1CCCCCCCC1	2003100171	POVKKDFBRPWUKN-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
CCC1(CC)CCC(N)([C@H](C)CC(C)C)CC1	2004340692	CLTRDESKSRPTAU-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@]1(CNC2CC2)CCCCC1(C)C	2005579622	KUHGXEDRLFUUDO-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC1CC(CC(=O)[C@@H](C)C2CCCCC2)C1	2007767911	RNEDWOJNQGMJMU-HSBZDZAISA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1C[C@H](C)C1CCCCC1	2009238380	UUYOOWQYQWNMTC-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@](C)(N)C1CCC(C)(C)CC1	2009576815	JLYUOJYNIYZARF-SQRWCISFSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@H](CCCC1CC1)NCCC	2009616745	LQZUBXCMDFWCQP-LLCTXKFZSA-N	237.431	4.681	0	10	BJAE	
CCCCC1CC(N[C@@H](C)C2CCCCC2)C1	2009713400	ZWPIXIVXTVIPQG-HLIUYOAVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)C1CC2(CC2)C1	2012414442	VYHDBGIEGRPRGA-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](N2CCCCCCCCC2)C1	2013180655	LVYQNDQBBFXSJF-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CC[C@](N)(CCC(C)C)C1C[C@@H](C)C[C@H](C)C1	2013272796	FNFYSDVUGZMFKA-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](CC)c1ccco1	2013322168	LFFHUVMBPCGIOI-KBPBESRZSA-N	237.387	4.535	0	10	BJAE	
CCCCC1CC(N[C@H](C)C2(C)CCCC2)C1	2014337108	IMGHEXIRBCRZSY-WLYUNCDWSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(C[C@@H](N)CC1=CCCCC1)C(C)C	2015283262	CGHUMBAJQJPHLL-HNNXBMFYSA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CC1(CCC)CCC1	2015634630	SJBGBMUYSASGCD-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](NC1CCCCCCCC1)C(F)F	2015811818	UYZOOFAZLHJDQU-CYBMUJFWSA-N	247.373	4.513	0	10	BJAE	
CC(C)C(CC(=O)C(C)(C)CC(F)F)C(C)C	2016022244	DIWTUNXBEJDJKP-UHFFFAOYSA-N	248.357	4.555	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2(C(C)C)CCC2)C1	2017124225	FPPASXGSWTYJBP-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)CN[C@]1(C)CCCC(C)(C)C1	2017621970	FFSJTONIECGRLB-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)C[C@H]1CC[C@H](C)CC1	2017656222	HASJAADQWLGQLU-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CCNC[C@H]1CC[C@H](CC)CC1	2017656294	VRKOZMRMUZODPY-WKILWMFISA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2cccc(C)c2)CC1	2017731330	QGDFWKUDGQBBJG-SHTZXODSSA-N	231.383	4.623	0	10	BJAE	
CCC1CCC(CC(=O)[C@]2(C)CC2(C)C)CC1	2017773007	URYLZWBHXGFTNM-ZUEPYMLJSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N(C)[C@H]1CCC(C)(C)C1	2018186670	GAGBBKYWWWNELI-CABCVRRESA-N	239.447	4.856	0	10	BJAE	
CCC(CC)N(CC)[C@H]1CCC12CCCCC2	2019256761	PUKFQOGNGYVVMO-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CCC1(C)CC(CN(C)[C@H](C)CCC(C)C)C1	2019406896	MITNTEPBHODCEB-QQFBHYJXSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@H]1C[C@@H]1C(C)(C)C	2022520358	PZSMJKHPQGCPDJ-MELADBBJSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CCCCC(C)(F)F	2023289772	IWCFLSBNMQNUNQ-LBPRGKRZSA-N	249.389	4.746	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCCCC(C)(F)F)C1	2023311816	OUMFRUBYWHAAEZ-GXTWGEPZSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCC(F)(F)CC	2023319788	QOHDRTPJCGGEEF-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CCCCC(C)(F)F)C1	2023354121	WFPSOOIKNOHJIB-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](C=C(C)[C@H]1CC[C@@H](N)CC1)CC	2023545215	CKLYDNXHRFHVEP-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@H](CSc2ccccc2N)C1	2024103360	ZHWCHJDSQXEVKP-LBPRGKRZSA-N	249.423	4.577	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CC1(C)CC1)NCC	2026061107	NQIYZNFPYXFRIW-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H](C)CCC(C)C	2029823192	GVVIHYOOZDLUNU-CQSZACIVSA-N	246.394	4.894	0	10	BJAE	
CCc1ccc([C@@H](NC)[C@H](C)CCC(C)C)cc1	2029838483	SMGPGSOLQGZSCS-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CCC1CC(N[C@H](CC(C)C)c2ccccc2)C1	2034901120	BONKHGJHKLBXCG-BDVYOWHSSA-N	245.410	4.552	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H]2C=CCCC2)CC1	2035561280	KXWZFUBZUJSLOE-PCKAHOCUSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2CC23CCCC3)CC1	2036133815	HQCVCCOZOTWQQS-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
N[C@@]1(C[C@@H]2CC=CCC2)CCCCC12CCCC2	2037166202	KUOAXKYGLWPAEN-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2C=CCCC2)CC1	2037305592	TWQPDOZRKKWJGJ-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](CCCC1CCC1)[C@H]1CC12CCCCC2	2039013418	XOPYTIPLHPBFLM-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1C=CCCC1)C1CCC(C)(C)CC1	2040679333	AYKVSPATZBDSDS-CVEARBPZSA-N	249.442	4.680	0	10	BJAE	
CC(C)C[C@H]1CCC[C@H](NCC2(C)CC=CC2)C1	2042077058	XEJBZEZIEKVINF-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(C(=O)CC2CC3(CCC3)C2)C1	2043007430	RMEZWABYGHPDFP-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(C)(C)CN1C[C@H]1CCC=CCCC1	2045308334	TUPFKTPSAKFUJW-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2CCC=CCCC2)CC=CCC1	2045309942	LMKISGNUOQLQIF-WBVHZDCISA-N	246.394	4.829	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@H]1CCC=CCCC1	2045332488	PFDRBYUVJDJJIL-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1CC(C)=C[C@H](C)C1	2045684946	PATKXGHQNICZFZ-IAOVAPTHSA-N	249.442	4.703	0	10	BJAE	
CCN(C[C@@H](C)CC(C)(C)C)c1ccc(C)cc1	2046575565	RIYSQVLCAWOTTO-HNNXBMFYSA-N	247.426	4.894	0	10	BJAE	
C[C@H]1C[C@@](N)(C[C@H]2CC23CCCCC3)CC[C@H]1C	2047058790	LVVQMUZVOYSNCO-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048371775	RUQCXLOXZVRUHH-QLPKVWCKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C2=CCCCCCC2)C1	2049496503	UXESXFOFGFBKLQ-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)NCC[C@H]2CC=CCC2)C1	2049530593	XQNMGJMWTCZWGC-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
C[C@H](Nc1ccc(CF)cc1)C1CC2(CCC2)C1	2055673426	GDKDKJDBPOFWNJ-LBPRGKRZSA-N	247.357	4.537	0	10	BJAE	
CC1(C)CCC(C)(C(=O)c2ccc(F)cc2)CC1	2056540118	VMCBVQXKOPNOSW-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC1CC(C2CC2)C1	2056671550	MQQJJQZKUMHWHJ-QFXNTCPOSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C2CC(C3CCC3)C2)C1	2056676680	CKKOHUCJIRREDF-LOCSVTFISA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCCC(C)=C2C)C1	2059391805	HWHZAXLIOBLFCB-OFLPRAFFSA-N	249.442	4.824	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CC[C@H](C)C1	2060924473	FFRPGHQPDVCNEQ-XJNFMUPTSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CCCC1)C1=CC[C@@H](CC)CC1	2061082345	VCTBXFDETAPRNX-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C2=CCC(C)(C)CC2)C1	2061086690	AFUYKVNHSOWCNK-FVQBIDKESA-N	249.442	4.667	0	10	BJAE	
CC[C@](N)(CC1CC(=C2CCC2)C1)C1CCCC1	2061708048	YRYUTEDTLMJZBM-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CN(C1CCCCCC1)[C@H]1CCCCCC12CC2	2062192735	FIQXNDMVCJSQRE-INIZCTEOSA-N	249.442	4.754	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CCC[C@H]1C[C@@H]1C	2062620178	MFDGSCKPTRPSQS-GRDNDAEWSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(OCC2C[C@H]3CCC[C@@H]3C2)c(C)c1	2063531766	OJKRTELUZSDYBT-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
CC1(C[C@@H]2C[C@@H](N)CC3(CCC3)C2)CCCCC1	2063638577	HAINPELTRLLQTI-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCC12CCC(CC1)CC2	2065262153	GTPGDJDIXSEJQN-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@H](C)C1(C)CCCC1	2067572214	YAGVMKFJBYJNRC-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H]1CCCCC12CC2	2072422652	DVKHXVZGXAKJAE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@H](NC)[C@@H]2C=CCCC2)CC1	2072801419	NVHHJVOFTHGRER-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@@]2(CNC)CC=CCC2)CC1	2072803267	GPAAIBJCCDUHHG-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
C[C@H](c1ccccc1)N(C)[C@H](C)C1CC(C)(C)C1	2074794271	HNXJRVFDQZTWJQ-ZIAGYGMSSA-N	245.410	4.504	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)C[C@H](C)c1ccccc1	2075135937	IDAHUNICTYBSLE-GJZGRUSLSA-N	247.426	4.547	0	10	BJAE	
CC1(C)CCC[C@H](CC23CCC(CC2)CC3)C1=O	2076440697	JRYOQKGLZDIGOF-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(CC)c(NC[C@H]2C[C@@H]2C(C)C)c1	2079623875	JGDULRZQWPPZLX-HZPDHXFCSA-N	245.410	4.515	0	10	BJAE	
Cc1ccc(OC[C@H]2C[C@@H]2C2CCCC2)c(C)c1	2079801881	IORLQYOUFZBCJX-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
CCC[C@H]1C[C@H]1C[C@H](N)c1ccc(C(C)C)cc1	2079884416	HOTSUOHOKLYZPD-ULQDDVLXSA-N	245.410	4.636	0	10	BJAE	
CCc1ccccc1[C@@H](C)NC[C@@H](C)C(C)(C)C	2081209552	QXOIGSBGSACKHT-ZIAGYGMSSA-N	247.426	4.582	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2CNC3(CCCC3)C2)C1	2082977263	XUVNRXRRKWNAGP-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)c2sc(C)cc2C)C1	2213605300	FERCHIVILPXDRK-RNCFNFMXSA-N	248.391	4.540	0	10	BJAE	
CCC1CCC([C@H](N)CCCCC2CC2)CC1	2214579519	HAGYSPGSVBNPPF-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)(CCC[C@@H](N)C1CCCCC1)C1CC1	2214765870	QFYWYMDTAVEXOZ-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@@H]1C)C(C)(CC)CC	2214955118	LBDSVTGIIZGJKQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1CC)CCC(C)(C)C	2215249288	MHOANLHJDNBCGH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@]1(C)[C@@H](N)CCCCCCCC1CC1	2216880458	VNOKKXIADLMIQX-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218345344	DOMVXSYBIXLOLB-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2CC(=C3CCC3)C2)C1	2221084088	PYZCWHKNJXKYBG-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@]1(C)CC=C(C)CC1	2221630544	JMECNJXAFISJKC-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
C/C=C/CCCNC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222924061	YXODATHREYRNQN-WHDHWZCOSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)CC(C)(C)C	2243902104	JCYUNBQKGZHOQX-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCCCCC(C)C	2244782010	LEDGYXXRVIBXCO-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
CCC(=CC[C@H](C)CCCC(C)C)CCN	2244845313	NWAMNCAIUIWPIP-CQSZACIVSA-N	225.420	4.524	0	10	BJAE	
CCC1(C(=O)CC[C@@H]2CCC[C@H](C)C2)CCC1	2246658826	DEXCAEWUCQVHAF-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CCCC[C@@H]1C[C@H]1C)NCC	2247166152	ORJSPXMANXKCQQ-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C[C@H](O)CC1=CCCCC1)C(C)(C)C	2247509405	GTVFRMMNZKTWMH-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1CCC(C)CC1)NC	2250354671	FRNBGVXKDSDYET-QDIHITRGSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CN[C@@H]1CCC2(CCCC2)C1	2250387631	QOFUOVJVCZWMFA-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@]12CCC[C@H]1CC2	2251165511	DDQOWAVTDWCVFD-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@]12CCC[C@@H]1CC2	2251174846	JCARLUDOJOTEFB-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
C[C@@H](N[C@H]1CC(C)(C)CCC1(C)C)C(C)(C)C	2251666827	SEGWECWJMILGJT-OLZOCXBDSA-N	239.447	4.616	0	10	BJAE	
N[C@H](CC[C@H]1CCCCC12CC2)CC1CCCC1	2253876236	VRNZWKACOJUXHJ-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)CC1CC2(CCCC2)C1	2254105076	FTDZPUPALHXZKR-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H]1CCNc2ccccc21	2254606970	RNXVGQHYNCIRGE-QLFBSQMISA-N	243.394	4.802	0	10	BJAE	
CC(C)c1cc(C=O)cc([C@@H]2[C@H]3CCCC[C@H]32)c1	2254717838	DIOVHRWCJARSIV-FVQHAEBGSA-N	242.362	4.526	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CCC1(C)C)c1ccccc1	2254957630	GBRFKIJZHMXTLM-HIFRSBDPSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	2255027131	RYJUIIRBEBWVDF-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H]1CCCC12CC2)C1(C)CCCC1	2255290820	JTPUSSGOROFWPA-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@](N)(CCCCCCC1CC1)[C@H]1CC12CCC2	2256491922	YMNDHIJYPPSZCS-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC[C@H](N)c1ccccc1	2257245090	HKQBJTDDMOHBSZ-PVAVHDDUSA-N	245.410	4.683	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCC=CCCC1	2257249869	WELWCJYFYOCUMC-IKGGRYGDSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1ccc(C(C)(C)C)cc1	2259445934	XTSQTRUIWMYQIF-BBRMVZONSA-N	248.410	4.844	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1C[C@@H](N)C12CCC2	2259678665	NOPQJGUMCDIHOS-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](C(=O)c1cccc(CC2CC2)c1)C(C)(C)C	2260905117	LIYTVIXGNODOJD-LBPRGKRZSA-N	244.378	4.504	0	10	BJAE	
CN[C@@H](CCC1CC(C)C1)C1=CCCCCCC1	2261498465	XTJQEQJWJGSORT-DQPZFDDXSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC1(C)CC(C)(C)C1	2300502635	CPTNENHUKXKPLL-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCCc1ccc(CC=Cc2ccccc2)s1	2300632015	PNZZJXODVUILEI-UHFFFAOYSA-N	242.387	4.957	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1ccc(C)c(C)c1	2300681271	NDOODSLOHARJBX-MRXNPFEDSA-N	233.399	4.520	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC(C)C)C=CCC1	2300697927	USISJYZBJSFAPQ-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@H]1CCCC[C@H]1CCC(CC)CC	2300701886	URRVQZOPXVXWML-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CCC(=O)c1ccc(C(F)F)o1	2300702422	XJRUIXRHRYTVDY-UHFFFAOYSA-N	244.281	4.616	0	10	BJAE	
CCC(C)=CC[C@@H](O)C1CCC(C(C)C)CC1	2300869496	JIJGXYQIUKMTJU-UYSNPLJNSA-N	238.415	4.556	0	10	BJAE	
CCCCN(CC)CC=C(C)CCCC(C)C	2300884312	RBGXZFUMQWHMBU-UHFFFAOYSA-N	239.447	4.881	0	10	BJAE	
CC(C)C[C@H](CNC(C)C)[C@H](C)[C@H](C)C(C)C	2301830523	XVAKHPMWOFZZPT-BZUAXINKSA-N	241.463	4.575	0	10	BJAE	
CCC1(C)CCC(O)([C@H](C)[C@@H](C)C(C)C)CC1	2301859339	PBMPYDCVEAIZFY-QRNKSROTSA-N	240.431	4.636	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@H](C)[C@@H](C)C(C)C	2301960672	DGJMBHHRDHNHHT-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](CC(C)(C)C)NCC[C@H]1CCC(C)(C)C1	2304358875	DASWPDLJGWEYSR-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCNCC1(C[C@H](CC)CCC)CC(C)C1	2307763624	NUJPZRXSWONLMO-HWOWSKLDSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)Cn1ccc2ccc(C)cc21	2307805653	GSBUWVLPLCYYFR-CQSZACIVSA-N	229.367	4.776	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(F)c1cccc(N)c1	2307910472	OLBYSCDMJVKASY-DOMZBBRYSA-N	237.362	4.670	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H]1CC[C@@H]2C[C@@H]2C1	2310191615	HXJPBWJOSZFTEW-BZURIXIGSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCCCC[C@H]1C[C@@H]1CC[C@@H]2C[C@H]12	2310919973	GJWLIVWMTHYTOS-XUWVNRHRSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCC1	2311500393	CNVARDMYZMXEFP-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1C[C@H]1C1CCC1)C1CCCC1	2311515560	MIUNOZKCFKSYJG-BHYGNILZSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@H]1C=CCCC1)[C@@H]1C[C@H]1C1CCCCC1	2311526122	TWBHOVMHKXYLAI-CWRNSKLLSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2313292557	RLNLBXKRUCKXBC-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)c1ccc(C)c(CC)c1	2314697626	QLBWPOIAIACFCC-SUMWQHHRSA-N	247.426	4.644	0	10	BJAE	
CCC(CC)CC[C@@H]1Nc2ccccc2C[C@@H]1C	2316270405	FADOTQUCYRGEDI-BBRMVZONSA-N	245.410	4.876	0	10	BJAE	
CCC1(C)CC(N)(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316878734	PHTLXFYFKAJTAU-CGLCSIQHSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2316883966	FDGGTASDLSLSMT-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CCC[C@H]1C[C@H]2C=C[C@H]1CCC2)NC	2317147702	FSGRLJBCLVIOJL-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
C[C@]1([C@@H](O)CCCC2=CCCCC2)C=CCCC1	2318581007	RLNVGYLFDWQJBB-IRXDYDNUSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1C[C@H]2CCC[C@H]2N1CCCC1=CCCCC1	2318592553	KHIZGQOVZVSENL-DJIMGWMZSA-N	247.426	4.530	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)CC1=CCCCC1	2320242387	BXFIJDWUXRVUSY-GOEBONIOSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@@](CN)(CC2(C)CCCCC2)CC1	2320261909	VDVPYFOUJZBSCZ-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
CC(C)c1cccc(CC(=O)[C@@H](C)C(C)(C)C)c1	2320623807	PQCHUAPDSUFBBI-CYBMUJFWSA-N	246.394	4.604	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H](CC1CC1)C1CC1	2320703776	VPOGPRDAHBOGLH-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c([C@](C)(O)C2(C)CCC2)c1	2327706373	AHJKJEREPJEWTB-KRWDZBQOSA-N	246.394	4.516	0	10	BJAE	
CCC[C@H]1C[C@H]1[C@H](N)c1cc(C)ccc1C(C)C	2327706653	BVFNPLLYNPTTEC-LXZKKBNFSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CC)Cc1ccccc1	2328191810	YOYJHPGBPSNHCJ-DOTOQJQBSA-N	247.426	4.553	0	10	BJAE	
CC[C@H](Nc1ccccc1)c1ccc(C)cc1	19879519	XGWGYPWZGSGRSU-INIZCTEOSA-N	225.335	4.558	0	10	BJAE	
CC(C)CCCCCCN[C@H]1CCC[C@@H](C)C1	20019377	MUCJCXRZSXKDQT-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc(N[C@@H](C)c2cc(C)oc2C)c1	20438382	AWLCIGUQTGCNOQ-LBPRGKRZSA-N	243.350	4.632	0	10	BJAE	
CC(C)=CCC/C(C)=C\Cc1occc1C	34510805	CKUQXDUZAWSPOV-JYRVWZFOSA-N	218.340	4.823	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H](C)CC(C)(C)C)s1	36889535	SMEDYYTXHPEWAY-JQWIXIFHSA-N	239.428	4.519	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC[C@@H](C)C1	36974295	DTUMXNJAZYZLOM-UKRRQHHQSA-N	231.383	4.630	0	10	BJAE	
CCCCC[C@H](C)NC(C)(C)CC(C)(C)C	37100579	NHEJCDOEFMMFDX-ZDUSSCGKSA-N	227.436	4.760	0	10	BJAE	
CCCCN[C@@H](c1ccccc1)C(CC)CC	37107844	FIKFHUUFGSJGMT-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
CC[C@@H](N[C@@H](C)CCCC(C)C)c1ccco1	54083417	UYJHFEQLZQHIOE-UONOGXRCSA-N	237.387	4.535	0	10	BJAE	
CCCCC[C@H](NCC)c1cccc(Cl)c1	71085185	NTQPAIOUMZTZNS-AWEZNQCLSA-N	239.790	4.571	0	10	BJAE	
CCCN[C@H](CCC[C@@H](C)CC)c1ccccc1	80425084	YUTAVLKOEIKDIM-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CCC)CCCN1	85700248	PNIWOFHIMRCVSE-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C)CC2)c(C)c1	86878038	MXPJMZJMVLXDLE-WFASDCNBSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H](C)CC(=O)C1CCC(C(C)(C)C)CC1	87976229	UPAWFRSYHJBTGK-IYXRBSQSSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)CC1(CNC(C)(C)C)CCCCC1	110200773	PZAGCVQXNYFLPH-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1NC	111235574	YOEYHHBPNOUCCV-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](N[C@H](C)C1CCCC1)c1ccccc1	112405941	QNWJMISTIREDMR-PBHICJAKSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)C1CCCCC1	121997417	RHDFQGBQIHGRSE-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCCc1cccc([C@@H](N)C2(CC)CCCC2)c1	131623616	FEVIMVQFYQSQDI-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CC(C)CNCC[C@H](C)c1ccc(C(C)C)cc1	132761566	RIACCGXDZQNURT-HNNXBMFYSA-N	247.426	4.549	0	10	BJAE	
CC(C)(C)CC[C@](C)(CNC(C)(C)C)C1CC1	164237612	IUBUQWLHMKUZSJ-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@]1(N)C[C@@H](C)CC[C@H]1C(C)C	165668638	SPDKRQIZRCJYGU-JYJNAYRXSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C)[C@H](C(=O)CC1CCC1)c1ccccc1	165832076	JOWRYJVHASEZSE-DYVFJYSZSA-N	244.378	4.576	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1cc(C)cc(C)c1	166786715	YYYUPYKQDZSDTR-GOEBONIOSA-N	234.383	4.553	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H]1CCC[C@@H](C)C1	217993219	INKHJVSVPQZEKL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](N[C@@H]1CC[C@@H](CC)C1)c1ccccc1	227193511	UHXNCRAFHHPPBN-DJIMGWMZSA-N	245.410	4.696	0	10	BJAE	
O=C(CC1CCCCCC1)C1CCCCCC1	229433660	BBAHVFZDYGREBH-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCCC[C@H](C)[C@H]1CNc2ccc(C)cc21	232980527	TXXQLIQOIGPMHC-DZGCQCFKSA-N	231.383	4.721	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(Cl)cc(Cl)c1	233288986	KRYKRNPMTPLGOJ-LLVKDONJSA-N	246.181	4.984	0	10	BJAE	
CCN[C@H](c1c(C)cccc1C)C1CCCCC1	233576954	LSTHZGDOBQKZNT-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H]1CNc2ccc(F)cc21	235398253	DCELASMPNSWEKF-IAQYHMDHSA-N	247.357	4.551	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2ccccc2Cl)C1	235406011	YUHQLYHRUGNVFQ-AAEUAGOBSA-N	249.785	4.744	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@H]1CCC[C@H](CC)C1	251822880	ZSRKBJBBNCJGGC-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC([C@H]2CCNc3ccccc32)C[C@H](C)C1	300116452	NRJOCPKUWCJTGV-UMVBOHGHSA-N	243.394	4.658	0	10	BJAE	
Clc1ccc2[nH]cc([C@H]3C[C@H]4CC[C@H]3C4)c2c1	300263148	SBDREGHVMKVJNA-NHCYSSNCSA-N	245.753	4.725	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@H](C)[C@@H]1C	300691179	QRXXHFLCTVDHDW-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
Clc1cccc2ccn(CCC3CCCC3)c12	302258522	NOEIINUEXZSNNH-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCC[C@H](N[C@H](CCC)c1ccccc1)C1CC1	302445204	BRDJSXUFLFIYKP-SJORKVTESA-N	245.410	4.696	0	10	BJAE	
Cc1[nH]c2c(Cl)cccc2c1CC(C)(C)C	304430300	SOJVBFLHICODBG-UHFFFAOYSA-N	235.758	4.718	0	10	BJAE	
CCN[C@H](CC[C@@H](C)CC(C)C)c1ccccc1	305994034	UBMUCOHJBHRIHX-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
CSc1cc2ccsc2c(Cl)c1Cl	306599018	QVLXPOFLRCJWKD-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CC1(CC(=O)c2ccc(Cl)s2)CCCC1	307276702	XEMVWDRXMPNMFH-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
Cc1cc(C(F)F)c2ccsc2c1Cl	307486333	BXKOWERXTTWXGU-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1CCC[C@@H](C)C1	309430560	JKALCQNCUNSNGX-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCC1(C[C@@H](O)[C@H]2CCCCC2(C)C)CCC1	310158684	QTBXQTLPUJBUET-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H](CC)c1cccc(C)c1	310710813	ULSYFDPDZHEWTO-DLBZAZTESA-N	245.410	4.614	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)c1c(C)cccc1C	310990133	SIZMZLDQDZWEQP-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc([C@H](O)[C@@H](C)C2CCCCC2)c(C)c1	311236712	WPMONDATTNZXGE-WMLDXEAASA-N	246.394	4.553	0	10	BJAE	
CCC[C@H](NCC1(C)CCCC1)C1CCCC1	313428286	MGRJCXWXHBCRFG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@@]1(CCCC(C)C)CC=CCC1	316916615	WEKXPTLDEYHCAT-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CCC[C@@](CC=C(C)C)(CNC2CC2)C1	317724789	KELKHCBQGMYXMN-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H](N[C@H]1CCCCC12CCCC2)C1CC1	324018673	RABYSCUWYYRRSJ-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H]1CCCC12CCCC2	328029768	VCCNIOIVMPMHIE-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(O[C@@H]2C=CCCCCC2)c1C	379758422	BGDNBXUORDLLHC-OAHLLOKOSA-N	230.351	4.571	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@@H](C)CC(C)C	383641220	ZTLVJZZRDMODAW-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNCC2CCCCCC2)C1	389485715	QWNLXEMFOQANMG-PBHICJAKSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCC12CCCC2	392782963	PTOLWEMJPLHDHX-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
Cc1cscc1NCC1(C)CCCCCC1	394615667	UVHAMBLBINRPNF-UHFFFAOYSA-N	237.412	4.829	0	10	BJAE	
CNC[C@@H]1CCCC[C@@H]1CCCCCC(C)C	394829906	TUWPQRQBZKJQEZ-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CSc1csc2ccc(C(F)F)c(F)c12	396233630	DYEQLGBWBNCGNO-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1cc(F)c2c(C(F)F)csc2c1	396241012	LLJSJAAPKUDPMZ-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](CC)[C@H]1CC1(C)C	397654472	FPJFUPCARRFAFU-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@H](C)CC)[C@H](C)C(C)(C)C	399210028	UMMWDWBSAYXVEI-APIJFGDWSA-N	241.463	4.719	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](C[C@H]2CC=CCC2)C1	402259911	GIMLTIUOMFEGKW-RRFJBIMHSA-N	248.410	4.764	0	10	BJAE	
CCC[C@H](C)C[C@@H](CC(C)(C)C1CC1)NCC	405709435	DNCAKJGZRWFUIZ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)C(=O)CC(C)(C)c1ccccc1	686736060	AZPARZYANLPFMZ-AWEZNQCLSA-N	246.394	4.750	0	10	BJAE	
CC[C@@H](CC(=O)C[C@H](C)C(C)(C)C)CC(F)F	688833237	JXBATBHVWAWLDB-QWRGUYRKSA-N	248.357	4.699	0	10	BJAE	
Cc1ccc([C@H](C)NCCCC2CCC2)c(C)c1	689009882	FDOHLTUDCDMQGZ-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCC1CCC(CN[C@H]2CCC23CCCC3)CC1	694331794	PCBYSZMOKNSFKU-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](NCC)C1CCC2(CC1)CC2	695648919	XPCNBVTZQNXQPR-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(C(=O)C2CCC3(CC2)CC3)CC1	695665357	ATVDSJBNZUIBMR-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1ccc(C)cc1F	697774386	AGVGRUBYKUMTBW-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](CCC=C(C)C)C1	697775437	XOAYYEPCOKTGLU-PMPSAXMXSA-N	237.431	4.524	0	10	BJAE	
CC(C)CCC[C@H](N)[C@]1(C)CC[C@H](C)C1(C)C	699048799	FGFNFTZLNLIXLN-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CC[C@H](C)c2ccccc21	701069799	BMLSAVAMHOBQFA-SUMWQHHRSA-N	246.394	4.598	0	10	BJAE	
CCC(C)(CC)[C@H]1C[C@H](C)Nc2ccccc21	701141433	YVVXTMBHVMGLGJ-JSGCOSHPSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C(C)(CC)CC	701153874	SEQKDVPKXPTIFM-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H]1[C@H]2CCCCCC[C@@H]2C12CCCCC2	701849475	MGPLJJNVEGWMSH-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CCC12CCCC2	703733481	SSWIKAYFRLTYIF-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(N)CCCC12CCCCC2	704436748	TXNSPKPTACLHAA-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)C[C@H](C[C@H](C)CC(C)(C)C)NC	709092597	YFZLVRUANVEOMZ-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCc1ccc(NC[C@H](C)CC(C)(C)C)cc1	709104270	RMSIODJVOSOQNT-CYBMUJFWSA-N	233.399	4.733	0	10	BJAE	
CCC[C@](N)(C[C@H](C)CC(C)(C)C)C(C)(C)C	709211945	JXVNNKKROHSXPC-CJNGLKHVSA-N	241.463	4.993	0	10	BJAE	
CCC1CCC(C(=O)CC(C)(C)C(C)C)CC1	713326379	OURPMLAOQXLWHY-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC)(CC(C)(C)CC)C1	713336638	PDEVKKBGXZFGMI-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](CC(=O)CC(C)(C)CC)C(C)(C)C	713341144	AWAFTBVJRZXUOI-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
CN[C@H](CCCCCC(C)C)CCC(C)(F)F	713975811	SDJHIOHEUDXSPT-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H]1c2ccccc2[C@@H](CCC)[C@@H]1CC	714356426	MICSYRJALQIQHX-ZQIUZPCESA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)(C)C[C@H]1N	717470343	NLIQHFJNQHYSRT-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC1(C2CCC2)CCC1	717810566	ITFYXNWOUYZHLD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C1[C@@H]2CCC[C@@H]12	718634482	OXTNCTAGFZMGPL-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCCc1ccc2sccc2c1O	718639435	KDORXHFNXUHUTC-UHFFFAOYSA-N	232.348	4.506	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCOC2(CCCC2)C1	718668152	JOLJDEZSPNIJQC-HNNXBMFYSA-N	236.399	4.862	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CO)CCC=CCCC1	718974097	XQCNTJLGDCANKY-MRXNPFEDSA-N	236.399	4.622	0	10	BJAE	
C[C@H](C[C@]1(N)CCCC2(CC2)C1)C1CCCCC1	723600559	IRMLUHUIXDFPCW-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@H](C)[C@@H](C)NCc1cc(C)cc(C)c1	1474640927	HFEVBNIBZGHKEU-HZPDHXFCSA-N	247.426	4.608	0	10	BJAE	
CCCCCSc1nc(C(C)(C)C)cs1	1860807266	LOEDMYULACSULL-UHFFFAOYSA-N	243.441	4.723	0	10	BJAE	
CC[C@H](C)CNc1cc(C2CC2)ccc1Cl	1900690641	IXNKHDINCMXHSO-JTQLQIEISA-N	237.774	4.675	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C(CC)CC	1900859697	VMHAQBSKSPEZHG-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCc1cscc1NCCC1CCCCC1	1902381851	RUTHOYJNUTVIGK-UHFFFAOYSA-N	237.412	4.693	0	10	BJAE	
CCCCC(=O)CC[C@@H]1CC[C@H]1C(C)(C)C	1902739963	QQKQSEKZJGZSBR-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1(CCC)CCC1	1905375085	UBGMZDSLOJTWFA-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1sccc1CC	1905433596	VOFCYRZSURYECO-NSHDSACASA-N	238.396	4.710	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@](C)(O)CC1CCCCC1	1908582301	KXNWVAJXZXYRSB-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@H]1CCC=CCCC1	1910142203	FCSIBKBJHBLTMX-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)c1ccc(C2CC2)cc1	1919977843	WDPMLYJYODFQOA-DYVFJYSZSA-N	246.394	4.598	0	10	BJAE	
CCCCCC[C@](C)(N)CC(CC)CC	1920202002	JQRFMEYPLZUNDZ-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(CC[C@@H]2CC2(C)C)CC1	1921541909	UOSOUCIHCJORMB-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@@H]1CCCC12CCC2	1921595532	PPVMAGAAFLWAGX-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@@H](C)C1CCCCC1	1924106442	KWRXQLMACKWCTN-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2C=CCCCC2)C(=O)C1	1925763468	OGGAUUSCLQIAKK-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@H](O)[C@H](CC(C)C)C(C)C	1936193171	PXRQLXBFGPXBGT-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
Cc1ccc(Cl)c(O[C@H](C)CCC(C)C)c1	1937174297	OKJQUDRSKCZKJZ-GFCCVEGCSA-N	240.774	4.852	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@H](Nc1ccsc1)C2	1939222481	SHUOQZNTFBNNID-IACUBPJLSA-N	235.396	4.519	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](O)(CC)CC1CC1	1939402967	JRQHWQBEZHJCCC-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H](CC[C@@H]1CC1(C)C)NC	1940866085	XXKQRRJFYOFTMD-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@]1(CN)CC=CC[C@@H]1C	1940954697	WWGWTGNBMUAECO-HOTGVXAUSA-N	237.431	4.524	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCCCCCC1CC1	1941586030	ISIBWIJOSFGGOJ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(CCC2CC2)CC1	1941597355	QPZGJUZUIKSHSV-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@@H](O)C(C)(C)C2CCCC2)CCCC1	1944621310	CRNTWRZNFDIKIZ-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC(=O)c1cccc(-c2cscc2CC)c1	1948004876	CTCZHQARJFBAGO-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CCCC1CCC1	1949015414	SLCKRULBCCTMIR-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCC12CCCCC2	1949047729	WXICMFPTMLOHPF-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1949086935	WIYQLORXJQAWTI-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NC[C@]2(C)C=CCCC2)C1	1966038872	YUIDRMLZQNIVFC-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@H]1NC1CCC2(CCC2)CC1	1967791421	MPYRTIRKTJSLRI-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCCN[C@H]2C[C@@H]2C2CCCC2)CC1	1967829283	ZSCKYRHAECIWIS-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](Nc1ccc(F)cc1)C1CCCCC1	1968254449	HOTDWLLUCKIRHX-OAHLLOKOSA-N	235.346	4.597	0	10	BJAE	
Cc1cc(C)c(NC[C@@H]2CCC3(CC3)C2)c(C)c1	1968259881	MDAFIXYDFWZNGV-OAHLLOKOSA-N	243.394	4.604	0	10	BJAE	
CCC1(CC)CCC(Nc2cncc(C)c2)CC1	1969438209	LMJCVMKJBQMGEP-UHFFFAOYSA-N	246.398	4.551	0	10	BJAE	
CC[C@H]1CC[C@@H](C)N1Cc1ccc(C(C)C)cc1	1971799401	HHMJVAMOWFSXNV-PBHICJAKSA-N	245.410	4.573	0	10	BJAE	
CCCC1CCC(CN[C@@H]2CCC23CCC3)CC1	1972259591	OEPPZRVGJIAPND-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)NC1CCCCCCCC1	1980337024	PYIVIFWVTXRVII-AWEZNQCLSA-N	225.420	4.514	0	10	BJAE	
CCC1(CC)CC(N)(CCCC(C)(C)C)C1	1984397373	JDWMQFNQRAXNKX-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)CCC=C(C)C	1988794936	OCQSGHWZJUJZQY-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@](O)(CC)CC1(C)CCCC1	1990090710	FETZPKCPYMLZFQ-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cc(Cl)ccc1C	1993483787	PXZMUACJYDPQAA-SMDDNHRTSA-N	240.774	4.508	0	10	BJAE	
CC(C)c1ccc(NCC[C@H](C)C(F)F)cc1	1996081283	QEKDCMNEMPTYAM-NSHDSACASA-N	241.325	4.513	0	10	BJAE	
C[C@H]1CC[C@H](Cn2ccc3ccc(Cl)cc32)C1	1996230636	IMOTUCRZRLPLBC-RYUDHWBXSA-N	247.769	4.731	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@]1(C)CC=CCC1	1997607998	XXPNQSBAVJORSO-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CC(=O)c1ccc(C)c(C2=CCCCCC2)c1	1998849999	XUAJEMXSYUHEHD-UHFFFAOYSA-N	228.335	4.545	0	10	BJAE	
CC[C@@]1([C@@H]2CCCC(C)(C)C2)CCCCCN1	2000050005	CMYBPHSULJFMMM-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](c1ccc(N)cc1)[C@H]1CCCC(C)(C)C1	2000163174	QBACQYQQPGRYHH-JSGCOSHPSA-N	231.383	4.589	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)c2ccccc2Cl)C1	2000190237	KRVPJNPWWZIISN-PWSUYJOCSA-N	248.753	4.515	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CCC(C)=C(C)C	2000295751	LJHIGFCFUWLWBU-GDBMZVCRSA-N	234.383	4.684	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H](C)[C@@H](C)CC	2000380546	WCYAHHAACODUOH-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@](C)(CCCCCC1CC1)CNCC	2000518482	ORYTUBXPJDCWDA-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCCCN(C1C[C@H](C)C[C@@H](C)C1)[C@H](C)CC	2000900824	RMMHVUDHPSCGJA-RBSFLKMASA-N	239.447	4.712	0	10	BJAE	
CCCCC[C@](C)(N)CC1[C@@H]2CCCCC[C@@H]12	2002229644	NGKMLWZIMVRITA-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@]1(C)CCCCC1(F)F	2002583971	WFZJGQFMKJFTAK-DGCLKSJQSA-N	246.341	4.597	0	10	BJAE	
CC1(CC(=O)CCC(C)(C)C2CC2)CCCC1	2003179627	QPTZIBNDIXTBPC-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1CCC2(CC2)C1	2003210069	AUFPOVLQCDONKJ-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](NCC)[C@H]1CCCCC12CCC2	2005603778	HVLWWCJLDGBIPP-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@H](C)C(C)(C)C)CC1	2007690440	KMRBICMOERCSBW-IOSBVQAASA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)C(C)(C)C(C)C	2007949168	ZSRKOHMADNWUFN-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](O)C[C@@H](C)C(C)(C)C)CC1	2010725877	LGWXTFVBXKDASS-UMVBOHGHSA-N	238.415	4.556	0	10	BJAE	
C=C=CCC[C@](C)(CCCC)CNCC(C)C	2010984193	BHYWKZHAZACTEF-INIZCTEOSA-N	237.431	4.550	0	10	BJAE	
CC[C@H](CCC(C)C)NCC1(C)CC(C)(C)C1	2013265276	VLGSPJKWSPFONF-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@](C)(N)CC2CCCC2)CCC1	2015645331	SRBWBBYIVKMDSB-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@](C)(N)CC2CCCC2)CCC1	2015645332	SRBWBBYIVKMDSB-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@]2(C)C[C@H]2C)cc1	2016411638	NBVWYEFJMKAUPU-WOSRLPQWSA-N	232.367	4.625	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CC[C@@H]1C1CCC1	2017045807	IIJGQLUXEHLEMU-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC1(C(C)C)CCC1)C(C)C	2017146319	RLGCBVJNSVEWED-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CNC1CC(C)(C)CC(C)(C)C1	2017429840	KJWIQCFFVYHGDX-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CNCC1(CC(C)=C(C)C)CCC(C)(C)CC1	2017465788	IJXLVRKYLDMPAE-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC1CCC(C[C@H](O)[C@@H](CC)C(C)C)CC1	2017648215	KUVGXGJJYIQDKA-CKUJCDMFSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](O)(CC)C2CC2)CC1	2017651397	SREWJLGTFNCQON-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@]12CCCC[C@H]1C2	2018583627	SIKZFMHVJHPHIQ-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(NC[C@]23CCCC[C@@H]2C3)cc1Cl	2018587874	PGHCRIUMWIOOCB-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCC(C)(C)[C@@H]1NCC	2020361734	SADLZYDOSLKDNX-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN(CCC(C)(C)CC)[C@@H]1CCCC1(C)C	2022049944	HKVVROPZSKMNMC-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CCCCC[C@@H]1CC	2022564987	YWDWEMKFDJXWFF-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2022993729	NZZUVXYJYGXZRC-JYJNAYRXSA-N	237.431	4.645	0	10	BJAE	
CC(C)=CCC(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2023319132	LXEGWLOVJOCQHP-GDBMZVCRSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@@](C)(N)CCCCC(C)(F)F	2023352198	DBMZAQSTQYEKOZ-CYBMUJFWSA-N	249.389	4.890	0	10	BJAE	
CCCC(CCC)CN[C@H]1CC[C@@H](C(C)C)C1	2025587161	CUHDWAFJCLSLIR-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1C[C@H]1C(C)C	2026082051	ZDNJFFOZVWORHH-DZKIICNBSA-N	238.415	4.844	0	10	BJAE	
CC(C)C1(CNC2(C3CCCCC3)CC2)CCC1	2027385214	SYQAYZZSONFPFF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(c1cccc(C2CCC2)c1)C(C)(C)C	2028556689	GIWOGPDHANCRDE-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCC(O)(CCC)c1ccc(C2(C)CC2)cc1	2028608191	IVAMIISCRUWRCK-UHFFFAOYSA-N	246.394	4.526	0	10	BJAE	
CC(C)C1CCC(N)(CC2CCC=CCC2)CC1	2028873750	FUDGOOPVGKXVMN-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@](C)(N)c1ccc(C2CCCC2)cc1	2031751691	GVYXXHVJRCEHGG-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
C[C@@H]1CNC2(CCCC2)[C@H]1C1(C)CCCCCC1	2033534777	KKCONVONHNSVET-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Oc1cccc(NC2CCCCCCCCC2)c1	2035893195	YZWHRCIUYKRSEH-UHFFFAOYSA-N	247.382	4.697	0	10	BJAE	
C[C@H]1C[C@@H]([C@]2(N)CCCCC23CCC3)CC[C@H]1C	2035923323	HYBBFAJUJXYBDR-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C2=CCCCCCC2)CC1	2037074392	MZIMWEGBPFGONY-RDJZCZTQSA-N	249.442	4.955	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCCC12CCCC2)C1CCC1	2037157961	QHZIFBLGSFXPPL-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCC2(CCCCC2)C1	2037171896	DLGREZLHTFTDIB-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CNC[C@]1([C@H]2CCC(C)(C)C2)CCC=CCCC1	2037684869	CFFDCYVFEPYWJC-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1[C@@H]1CCC2(CCCC2)C1	2037706924	ZGJUAGHFHBRKTD-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)CC2CC3(CCC3)C2)C1	2037980502	YVPSEIRCTSLKEZ-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](N)CC23CCC(CC2)C3)CC1	2039353526	HMUHLWIIAYSWTQ-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CCNCC(=C[C@H]1CC[C@H](C)C1)C1CCCCC1	2040168389	GWQCCIBCKKCTKS-GJZGRUSLSA-N	249.442	4.539	0	10	BJAE	
CCCc1ccc([C@@H](NC)C(C)(C)CCC)cc1	2040724712	YMPGESVYTJDKCJ-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NCCC1=CCCCC1	2041833961	LJTNGUHJJFIVBD-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC[C@]1(CN)C[C@@H]1CCC=CCCC1	2045320949	QYCIAXIFSGBQCB-NVXWUHKLSA-N	249.442	4.668	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@H]1CC1(C)C	2045322064	BBMOIMZFQPYBAX-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@@H]1CCC[C@@H]1C[C@H]1CCC=CCCC1	2045328335	DLFHWYMCVIVRJG-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C)c([C@H](O)[C@H]2CCCC(C)(C)C2)c1	2045366564	MMQURWYXRQSCEW-GOEBONIOSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CC[C@@H]3CCCC[C@H]3N2)C1	2045504033	ILJBXSDPIDWGBC-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@@H]1CC12CCCC2	2047013018	SIRVCNRGFZOXAC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1[C@H]2CCCCC[C@H]12)C1CCCCCC1	2048454229	SBEIOUDVUJVOGO-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@H]1CCCC12CCC2	2048868130	DPURYDPURNRVNT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C1CC2(CCCC2)C1	2048881783	FTYZRZJLCCWUOX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(C)CC1)C1CC2(CCCCC2)C1	2048883355	SUSUOEQXMNLQJX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)c1	2049539446	GTZNASSIBPSFLJ-MRVWCRGKSA-N	249.373	4.761	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@H]3CC[C@H](C3)C2)CCC1	2049644932	FCGIHNPNJOVCKR-QLPKVWCKSA-N	249.442	4.658	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)CC1CCC2(CC1)CC2	2049851802	ASYQLXVMRQKRTA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1CCC2(CC2)C1	2049951007	LIJVMXMOFVQBPX-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@]1(C)C=CCCC1	2050007648	QONHOUOJYMTDTQ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC1(C2CCC2)CC1	2051905353	KTZAEWOUFZVFGX-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)[C@H]1CCCCC12CC2	2053412644	PYWDLXXTQUHZMS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](CCC(C)C)C2CC2)CCC1	2055553206	XALVHNJMXZUSCQ-IAGOWNOFSA-N	249.442	4.680	0	10	BJAE	
CC(C)C1CC(CC(=O)C2(C3CC3)CCCC2)C1	2057610123	WWAYHJILNTVING-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](NC)c1ccccc1CCC	2059249032	DLDRWHBBDPRMSW-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C(C)C)CC1)C1CCCC1	2061088081	KKTJTHSKWJXWSM-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CN(CCC1CCCC1)C[C@H]1CCC=CCCC1	2062009548	NTOBPIGBFHTMLP-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C1(C)CCC2(CC2)CC1	2062637424	JFYBAUCMWRNATI-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC(C)=C(C)CCN(C)CC12CCCC1CCC2	2063879262	SEMBJABRJYMVFC-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](CC23CCC(CC2)C3)C1	2065276789	HSLCFKXKILCPEZ-KRIMKBQASA-N	248.410	4.598	0	10	BJAE	
CN[C@@H]1CCCCCC[C@H]1CC12CCC(CC1)C2	2065336718	FGNVPSFZJYUDBR-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(C(=O)CC2CC(C)(F)C2)cc1	2065823876	UHJKCBQQCJVAFG-UHFFFAOYSA-N	248.341	4.521	0	10	BJAE	
C[C@@H](CC(N)(C1CCCC1)C1CCCC1)C1CC1	2065935260	ASMKELQRVFLOHZ-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC(C(C)C)C(C)C)c1ccccc1	2068820340	QITMGOFEESZDNA-QGZVFWFLSA-N	247.426	4.656	0	10	BJAE	
CC(C)C(CCC[C@H](N)c1ccccc1)C(C)C	2069019350	OLMRQORCAMMWGO-KRWDZBQOSA-N	247.426	4.785	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H]1CCCC2(CCC2)C1	2070402339	GHPXPWFFCVFYKJ-CVEARBPZSA-N	249.442	4.824	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(=O)c1ccccc1C(C)(C)C	2070947498	NCLKJUPISZTTSV-YVEFUNNKSA-N	244.378	4.603	0	10	BJAE	
CCCC1CCC(C[C@H](N)c2ccccc2)CC1	2072800517	FFVSORDSBYJGKD-DQPZFDDXSA-N	245.410	4.683	0	10	BJAE	
CCC1CCC(C[C@H](C)c2ccc(N)cc2)CC1	2072819985	GIQYUXBCQVTMSX-NFOMZHRRSA-N	245.410	4.979	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@@]23CCC[C@@H]2C3)CC1	2072878769	PNTMAHJZZVBKDA-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC[C@@]12CCCC[C@@H]1C2)C1CCCCCC1	2074044421	YTXQGFGIFLCVAZ-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CC1(CCNC[C@@]23CCCC[C@@H]2C3)CCCCC1	2074046091	IQVOUKHWSXBSDG-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CCCC1(C[C@@](O)(c2ccccc2)C(C)C)CC1	2074611725	MCXZMXHLVUEVEK-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CN([C@@H]1C=CCCC1)[C@@H]1CCC2(CCCCC2)C1	2075084125	ITVLWLGVWWQLAO-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
CCCc1ccccc1CN(C)CC[C@H](C)CC	2075231089	IEAHZEVQBPDYLR-OAHLLOKOSA-N	247.426	4.507	0	10	BJAE	
CCCc1ccc([C@H]2CCCC(C)(C)C2=O)cc1	2076441099	WIIQMNISAPBWDO-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNc1ccccc1C1CCC1	2077263564	YXSZDYQMIYXLPN-HIFRSBDPSA-N	243.394	4.802	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@H]1C[C@H]1C1CCCCCC1	2079431506	LQMRMHZYGSNOQW-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](NC)c1ccc(C(C)C)cc1	2079437150	ZUEFUYNSGAUAIG-ZACQAIPSSA-N	245.410	4.507	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@H]2C2CCCCCC2)CCC1	2079640832	DRGBEBJTNGCTSN-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
C1CCCC([C@H]2C[C@@H]2CCCCNC2CC2)CC1	2079667434	WYXLDIGQHXHUGQ-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](N)[C@@H]1C[C@@H]1C1CCCCCC1	2079792440	ALEACHQSXAAHTB-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)C1(C2CC2)CCCC1	2079845253	XRSIRDORQYIUEU-JSGCOSHPSA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@H]1C[C@@H]1C(C)(C)C	2079849954	BULSEEHKSCWJKB-HIFRSBDPSA-N	244.378	4.640	0	10	BJAE	
CC(C)=CC[C@H](N)C[C@@H]1C[C@H]1C1CCCCCC1	2081775124	NICFQWVPNINOBG-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CC=C(C)C)c1ccc(C2CCC2)cc1	2081781258	SGMDHVZZIMOQKW-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCCCCCc1ccc([C@H](O)CCC)s1	2210511914	HCSRZZOUGCSUTG-CYBMUJFWSA-N	240.412	4.704	0	10	BJAE	
Cc1csc(C(=O)C23CCCC2CCC3)c1C	2213644340	FAUNJADTVRAXLX-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CCCCC1CC1	2214559320	ZHKQBIXBHBXRAQ-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCC[C@](N)(CCCCC1CC1)[C@@H]1CC1(C)C	2214565333	MCLREGGMZBOHBL-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCC(N)(CC[C@@H]2C[C@@H]2C)CC1	2215246428	FXPZDSBAUWMTAD-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CCCC(C)(F)F	2216265965	KDRZEWFWXKDHLZ-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCCCC(F)F	2216420066	YRKCMPGVWBAGMF-CHWSQXEVSA-N	249.389	4.602	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)C)[C@H](C)CC(C)C	2217123929	CJHUMTXBHQXVRF-PMPSAXMXSA-N	241.463	4.719	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CCC[C@H](C2)C1)[C@@H]1C=CCCC1	2218377122	BZNUWVGKTPYZNE-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
C[C@]1([C@@H](N)CCCCCCC2CC2)C=CCCC1	2218735891	SKOQYGHWSQIJOB-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CCCCCC[C@@](C)(O)CC=Cc1ccccc1	2219044384	RDOUDSHXZAFDLE-QGZVFWFLSA-N	246.394	4.811	0	10	BJAE	
CC1(C)CC[C@](C)(NCC2(C)CC3(CCC3)C2)C1	2221027226	DREPWRGAFQUEQP-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1(C)CC(C)(C)C1)[C@]1(C)CC=CCC1	2221037761	FBELXMIVWVNFCW-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2C[C@@H]3CCCC[C@@H]3C2=O)C1	2221075043	BRYBGIWWLKWSDO-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2(C)CC3(CCC3)C2)C1	2221088325	NAIDPIKNVYXAPR-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CCC[C@H](C)[C@@H]2C)CC1	2221643624	OCQMEAULLXQZIV-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC1(C)CCCCC1	2224077131	VWQDWICPMYPIKN-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)CCCN	2244837846	QUVWHWMCDFDSSG-LSDHHAIUSA-N	227.436	4.604	0	10	BJAE	
CC(C)CCC[C@H](C)CCCCNC(C)C	2244846130	YOMKQFGMZQLKLE-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CC(=CCl)C[C@H]1C(=O)C(C)(C)CCC1(C)C	2245472780	PGBVTGOQOUJZHS-NSHDSACASA-N	242.790	4.551	0	10	BJAE	
CC(C)=CCCC(=O)C[C@@H]1CCCCC12CC2	2246616474	CPYIIEPHSQGWCV-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](C)C(=O)CC[C@H]1CCC[C@@H](C)C1	2246677568	DBEUFYODJOPOAV-QLFBSQMISA-N	238.415	4.988	0	10	BJAE	
CN[C@H](CCCC[C@@H]1CCC[C@H](C)C1)C(C)C	2246724759	FDJMWFSDZGABTP-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC[C@H]1CCC[C@@H](C)C1	2246726715	KYRZGRYMIXZLIG-QKPAOTATSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)(CC[C@@H]1CCC[C@@H](C)C1)C1CC1	2246732896	OMOWGTXBGJCUFB-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC1CC2(CCCC2)C1	2246819806	LDXMMYZMGJILEL-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@]1(C)C=CCCC1	2247169485	CYQCWQMHTYAYQP-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@@H]1C)C[C@@H](C)CC	2247171583	LXHHIQAEORGJHU-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCCCC[C@@H]1C[C@H]1C)CC(C)C	2248812555	AVADAWABSMMWCV-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CN)CCCCC[C@@H]1C[C@H]1C	2248838206	HLDDWWDRPVPMOC-OAGGEKHMSA-N	239.447	4.748	0	10	BJAE	
CC(C)CCCCNCCCCC[C@H]1C[C@@H]1C	2248867022	SRIXBLQYRNYORN-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCCCCC[C@@H]1C[C@H]1C	2248875374	ZMNNRBJZHJEVPH-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CNc1cccc(C(C)(C)C)c1	2249293418	BUZKURUARUXBCJ-UHFFFAOYSA-N	233.399	4.832	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)CCC1CC1	2250473193	DGJLJMHCAQNRIP-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)[C@H](C)C(C)C	2250482138	SEAGVWXZYHYGNB-OAGGEKHMSA-N	241.463	4.848	0	10	BJAE	
C[C@H]([C@@H](O)c1ccc2ccsc2c1)C(C)(C)C	2253089112	ZZMWIPMJKPGONZ-QMTHXVAHSA-N	248.391	4.617	0	10	BJAE	
CCc1ccc(NCCCC[C@@H]2C[C@H]2C)cc1C	2254541979	CZKLJBGKVHPKGO-CZUORRHYSA-N	245.410	4.796	0	10	BJAE	
Cc1ccc(F)c(C(=O)CCCC[C@H]2C[C@@H]2C)c1	2254611650	RUHYKKCNLBVLBA-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2CCC23CCC3)CC1	2255016592	VGLCFEWVMFKJMU-HPUBIQBYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCC=Cc1ccccc1	2259446980	JEGDHTZIQHCBGK-DLBZAZTESA-N	245.410	4.634	0	10	BJAE	
CC1(C)CC(C)([C@H](N)C[C@@]23CCCC[C@H]2CC3)C1	2260577997	JDQUUCRUOPMYFC-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CCCCCCC(=O)c1ccnc(C(C)(C)C)c1	2260691873	SBZSWMDUFSXNLU-UHFFFAOYSA-N	247.382	4.532	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@@H]1C[C@H]1C(C)(C)C	2300496472	JZYLTRHMTQQSPO-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@H](O)C1(C)CCC(C)CC1	2300705051	ZMCACKOUJWGSLH-SIWZUTFBSA-N	240.431	4.780	0	10	BJAE	
CC=CC[C@H](NCCC)C1(C(C)(C)C)CCC1	2300882846	YENWZXNYMATABG-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@H]1C[C@@H](C)CC1=O)CCCC(C)C	2300893832	XNJUNZUTAOPXCG-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)CC1CCCCCC1	2301144271	BWNSNLSNLRBQEW-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](O)CCCCC1CC1	2302578278	YDIYNHVYBJNPIO-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC(C)C)CCC(C)=C(C)C1	2303473795	FADYWTCXHIGVSM-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@]1(C(C)C)CCC(C)=C(C)C1	2303585874	YFWFJPIVNGFWEA-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(C)CCC[C@@]2(C)O)C1	2304430847	FBHYYHHTWFNAMR-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCCC[C@H]2N)C1	2304448418	YBOUALZEARPLKP-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](c2nc([C@H]3C[C@H]3C)cs2)C1	2307698003	YBNGUMPUKZGKLH-FHUSYTEZSA-N	249.423	4.806	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cc(C)ccc1F	2307749736	NGKJGMAKGWGWFP-GFCCVEGCSA-N	236.330	4.533	0	10	BJAE	
CCCC1CCC(C[C@]2(N)C[C@@H]3CC[C@H]2C3)CC1	2311023067	UFIWPBGUAUKBCI-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@@]12CCCC[C@@H]1CC2	2313340544	ONVVLKYYJRSDPU-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313349396	XBIYIHAQAOBZIJ-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](NCCC)c1ccc(C)c(CC)c1	2314701373	BRHXEKZUKCETSG-QGZVFWFLSA-N	247.426	4.788	0	10	BJAE	
NC(CCCCCC1CC1)(CC1CC1)CC1CC1	2315446846	ICAJOXZDCCDBRT-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCn1cnc(CC=C(C)CCCC(C)C)c1	2316491039	PQOIABKXLVDCFC-UHFFFAOYSA-N	248.414	4.608	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1ccc(CC)cc1	2316504007	SPCDOWILIPERMR-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CC=CC[C@@H](NCCC)c1cc(C)cc(C)c1C	2316532383	OOYMQEQPEOQCAG-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@@]12CCCC[C@@H]1CC2	2316998724	MTQBLYNAWDKRNH-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317149906	YTHPTYYICVEGSO-FPCVCCKLSA-N	249.442	4.523	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@@]12CCCC[C@@H]1C2	2317976233	WBLOVELDMUCMED-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@@H]1CCC12CCC2	2318583314	NSLXDUOSPYHRME-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CCC1([C@H](N)CC[C@H]2CC[C@H]2C2CC2)CCCC1	2319732199	ZGZGWIWDTYIPRE-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC1(N)CC2(CCCC2)C1	2320257572	WCVYLAAFKWGJBD-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C2CCN[C@H](C)[C@@H]2C)CC1	2321303233	APXVJLBWKJXYKE-QRNKSROTSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@H]3C[C@H]32)c1F	2327807686	JZKNSUOGWUWBPY-IACUBPJLSA-N	247.357	4.550	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CNC)c1cccc(C)c1	2328195816	HFIKBZJZLNEGTI-NVXWUHKLSA-N	247.426	4.514	0	10	BJAE	
CC[C@H](Nc1cccc(F)c1)c1ccc(C)cc1	21502361	DDTZZDWTWVERNX-INIZCTEOSA-N	243.325	4.697	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)c1ccco1	21814114	WNTBMSAFSZOMKC-AWEZNQCLSA-N	237.387	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@@H](C)c1ccccc1C	37031966	LULNWQGFXXUKLY-YQQAZPJKSA-N	245.410	4.614	0	10	BJAE	
CCC[C@@H](N[C@@H](C)[C@@H](C)CC)c1ccccc1	37062379	JQYGMMBIJJNTSC-OFQRWUPVSA-N	233.399	4.552	0	10	BJAE	
CCCC(=O)Cc1c(C)cc(C(C)(C)C)cc1C	37531937	UXTINYBTTYWFMW-UHFFFAOYSA-N	246.394	4.513	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)c2ccc(C)cc2C)C1	71153835	UIXICQGBCYGSKQ-VYDXJSESSA-N	246.394	4.553	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC(C)(C)C1	87770870	HLJLOSXIUYSXQC-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCN[C@H](CCC1CC1)c1ccc(C(C)C)cc1	88491922	WUTHITXDLRICFF-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CC(C)c1ccc([C@H](O)C2C(C)(C)C2(C)C)cc1	91493274	FZSGYBJPVUPBPJ-AWEZNQCLSA-N	246.394	4.526	0	10	BJAE	
O[C@H](CC1CCCCC1)c1ccccc1C1CC1	94528708	FQHKCJUSIVSBRV-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCCCCC(C)(C)CNc1ccc(N)c(C)c1	94983639	MIUIVYAVWGPCML-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
CC(C)CCC1(CNCC(C)C)CCCCC1	111610329	LYOPLDGDOGEIHR-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc([C@@H](C)NC[C@@H](C)C(C)(C)C)c(C)c1	162636121	FSSLOTQRDFQZJM-HUUCEWRRSA-N	247.426	4.636	0	10	BJAE	
CC(C)CCCNc1ccc(C(C)(C)C)cc1	165172981	JHWDLFVXXPMYBF-UHFFFAOYSA-N	233.399	4.832	0	10	BJAE	
O[C@@H](c1ccc(C2CC2)cc1)C1CCCCCC1	167653617	WKOHKTDJHNPVIG-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
Cc1c(CC(C)(C)C)ccc2ccccc12	202320393	CTDIGKIMSPNATO-UHFFFAOYSA-N	212.336	4.737	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2cccc(Cl)c2)[C@@H](C)C1	221641636	XHZNOSSNHVUORR-COPLHBTASA-N	237.774	4.577	0	10	BJAE	
CCc1cccc(C(=O)C[C@H](C)C(C)(C)C)c1	229264327	BGVMRUHZGWFGRV-LBPRGKRZSA-N	232.367	4.504	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H](C)CC2CCC2)c1	232229876	SGHLUZJFNSPZJW-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
COc1cccc2c(C3CCCCCC3)c[nH]c12	235017511	RIZXRSCGEKFTBA-UHFFFAOYSA-N	243.350	4.614	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)C[C@@H](C)CC[C@H]1C(C)C	251305041	JNHYTHSEEKORKR-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1C[C@H](C)CC(C)(C)C1	251762331	HSZPMQGPKFPHNL-AJNGGQMLSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H](N[C@H]1CCCC[C@H]1C)c1ccccc1	252181359	QCBFPRLZDFUENU-PVAVHDDUSA-N	245.410	4.552	0	10	BJAE	
Cc1cc(C)cc(N=Cc2ccccc2Cl)c1	254866767	RQLSAVMPQVYNMJ-UHFFFAOYSA-N	243.737	4.707	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CCCC(C)(C)C	300857413	LTVINOHCXHXDSZ-KGLIPLIRSA-N	227.436	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cccc(C)c2Cl)C1	300911475	RWMXQMDKSMPTIW-RYUDHWBXSA-N	237.774	4.639	0	10	BJAE	
CCc1cc(N[C@H]2CCC[C@H]2CC)ccc1C	302282955	JHPOXHUUTKBPDY-CJNGLKHVSA-N	231.383	4.548	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1coc2ccccc12	305958621	OEIZJDKCPYAOGB-LBPRGKRZSA-N	244.334	4.688	0	10	BJAE	
CCc1cccc(N[C@H]2/C=C/CCCCC2)c1	305994152	MMWMQJIBLFGBLW-WGPYJDKQSA-N	229.367	4.550	0	10	BJAE	
CSc1c(Cl)c(Cl)cc2sccc12	307543425	UUNFAHNNUCGCLC-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C1CCCCCCC1	309153128	VCHRBDXVLNDLLP-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC[C@@](C)(CNCC(C)C)C[C@H](C)CC(C)C	309994254	OJKHXGMYOJLTIX-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CCc1nc(C(C)(C)C)sc1-c1ccccc1	310204902	DGRMMMCJEVMPPD-UHFFFAOYSA-N	245.391	4.670	0	10	BJAE	
CCC[C@@H](C)C1(CNCC)CCC(CC)CC1	317241481	JYGYKSCXOOBNBK-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CC2CCC1CC2	381897661	AWOBNXMEJASKKH-QOZQQMKHSA-N	249.785	4.639	0	10	BJAE	
CC[C@@](C)(CCC1CCCCC1)CNC(C)C	383132566	VGLZSHCUFZCUEE-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCC(=O)CCC(C)C	383394678	PXBABKFJCASLKH-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCCc1ccccc1[C@H](NCC)C(CC)CC	384680819	UFLSGYDPGSELEU-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
C[C@H](CC1(N)CCCCCCC1)c1ccccc1	384688167	BZRQLYASHDFLNX-OAHLLOKOSA-N	245.410	4.622	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2CCCC[C@H]2C)cc1	384977787	JDXVDFPZHVXEPQ-CZUORRHYSA-N	244.378	4.819	0	10	BJAE	
Fc1ccc2c(ccn2CCC2=CCCCC2)c1	385027999	JVCNPGMLWFVUIM-UHFFFAOYSA-N	243.325	4.671	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)c1ccccc1C(C)C	386470541	GKZSRFPBDKJZKX-WMLDXEAASA-N	245.410	4.564	0	10	BJAE	
CCCCC[C@@H](C)NCC1(C)CCCCCC1	394596238	BHVYZSXQBYAEIW-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCc1ccc2c(CC)c(C(F)F)sc2c1	396168468	MTJHIZPRJMWCBB-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCOc1ccc2c(Cl)csc2c1CC	396184241	BFHVJMURURRZDB-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
C[C@H](CC1(CNC2CC2)CCCCC1)C1CCC1	398777457	HFILPHRNAUXYFV-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CC2	402208992	IPDOQWKEXIPBTN-FZKCQIBNSA-N	248.410	4.620	0	10	BJAE	
CCC[C@@](O)(c1cccc(C(C)C)c1)C(C)(C)C	688897156	AHKBUAGICCYFNR-QGZVFWFLSA-N	248.410	4.844	0	10	BJAE	
CC1(C)CCC[C@@H](NCCCC2CCC2)CC1	688993870	SULXTKFHXQGWAZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)c2ccoc2)c1	689615580	VGGYJOYQTBYOPY-GFCCVEGCSA-N	243.350	4.578	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](C)CC1CCCCC1	689833655	WGBGFLPBPAOLAA-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(C)cc(CC)c1NCC[C@@H](C)CC	690207926	XRADUNRWTLQUGD-ZDUSSCGKSA-N	247.426	4.968	0	10	BJAE	
CCC(C)(C)[C@H](C)NCCCCCC(C)C	695155570	JRASCVPCTXCFGU-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(C)c(NC2CCC3(CC2)CC3)c(C)c1	695977068	RBQLIQCVUQJKEB-UHFFFAOYSA-N	243.394	4.747	0	10	BJAE	
CCCN[C@H](CCC1CCC1)CC(C)(C)CC	696195014	LHALDPHKHOHUAE-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCCC(C)(C)CC1	696805898	MCWDWKKZUQEFMG-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)c1ccoc1CC	697774595	GADQHMXSCJWMBL-OAHLLOKOSA-N	249.398	4.629	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	697825653	HGBZRPOKYLTCOE-IJEWVQPXSA-N	237.431	4.523	0	10	BJAE	
CCCNC[C@]1(CCCCCC(C)C)C[C@H]1C	703331092	LOCYRBNEIJLWDJ-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCNCC[C@H]1CCC[C@H](C)C1	703953801	FNGAGAHVKYGQNG-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](C[C@](C)(N)CC1CCC1)C1CCCCC1	704850568	YNDPFBHPCPBZOK-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1O[C@H]1CCCC[C@H]1C	704921867	HPCLFFQSOVXVMA-HIFRSBDPSA-N	232.367	4.768	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@H](C)CC(C)(C)C	708248809	LHXABSLTFOQDHF-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](c1ccccc1C)[C@H](C)CC(C)(C)C	708254285	JNQNXTMHAQPOGK-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
C[C@H](CC[C@H](O)c1ccccc1)CC(C)(C)C	709077569	SNDHHEZQFUMQDS-HIFRSBDPSA-N	234.383	4.573	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CC(C)(C)C)CC1	713177158	ZWVGADRRDSPMII-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
C=C/C=C/CC[C@H](C[C@H](CC)C(C)(C)C)NC	713671347	BOBXCZGDDKWLEQ-LWLVDVGCSA-N	237.431	4.559	0	10	BJAE	
C=C/C=C/CC[C@]1(CNC(C)C)CCC[C@@H](C)C1	713717161	JDLPFXXQRXCNTH-NGHLMZTLSA-N	249.442	4.703	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H]2CCCC[C@H]21)C1CCC1	714321802	IDBSGUOMNWOJOS-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCCCCC(CCCCC)N[C@H]1CC12CC2	715372288	VJPZYUOPUMZCHH-HNNXBMFYSA-N	237.431	4.658	0	10	BJAE	
O=C(c1ccc(C2CC2)s1)C1CCCCCC1	716560120	DPHHPICYKMUOMA-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CCCN[C@H](CCCCC(C)=C(C)C)C(C)C	718654633	UQLVTZZLSGVHKX-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)C(C)(CC)CC	721737825	VBPLHBGQBBLQLB-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCC2(CC2)C1	723568132	VXOMKKKKXVJNJA-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
N[C@]1(CC2CCCCC2)CC[C@H]2CCCC[C@@H]2C1	723611007	CGYNXBLRGFNJBR-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
C1=C[C@H](SCC2CCCC2)CCCCC1	1459287084	CERANFJJMQFUNA-AWEZNQCLSA-N	224.413	4.799	0	10	BJAE	
CC(C)=C(F)CN(Cc1ccccc1)C(C)(C)C	1880368250	GLNYRPNNYQBRPX-UHFFFAOYSA-N	249.373	4.551	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1C[C@H]1CC	1898115466	IDBMEDGFCHJUQG-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC)CCC(CC)CC	1900700327	CMEPXRRTXJJSNY-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C)c1ccc(C(CC)CC)s1	1901883539	UTYZFPARGFBJFS-LLVKDONJSA-N	239.428	4.712	0	10	BJAE	
Cc1sccc1-c1cccc(CC2CC2)c1	1901899629	SDIIEFQOCTUQMR-UHFFFAOYSA-N	228.360	4.676	0	10	BJAE	
CC1=C(C)C[C@@H](CCCC(=O)C(C)C)CC1	1902847594	RBUFVMQBNDVSKU-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC[C@H]1CCC	1905381573	LARNRAVOPKLKTE-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC(=O)C[C@@H]1C[C@H]1C1CCCCC1	1910796313	VOVKBPWYNRNUOL-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccc(NCC(Cl)=CCl)cc1	1911548870	JFIDAXRTCNETPF-UHFFFAOYSA-N	244.165	4.541	0	10	BJAE	
CC=CC[C@@]1(CNC(C)(C)C)CC[C@H](CC)C1	1911895817	BXBOPGPEFOEADG-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](CC=CCCNC(C)(C)C)C1	1912059543	HFHSBQLPENIERE-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@H](N[C@H]2CCCC23CCC3)CC(C)(C)C1	1921512198	ATVAKRBMYXIVJB-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@@H](CCCc2ccccc2)CCCC1	1925813676	CDYPTLYAUUOMPT-OAHLLOKOSA-N	214.352	4.756	0	10	BJAE	
CCCCC(=O)CC[C@@H](C)C1CCCCC1	1939113320	UIWCMOHKWSVQIZ-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCNC[C@H](CC1(C)CCCCC1)C(C)(C)C	1940406900	NYIFMZHLJQHQFP-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC1(C[C@H](N)CC2=CCCCC2)CCCCC1	1940407012	GLHVSQZNQLUGOU-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H]3CC[C@@H]32)cc1Cl	1941018573	DTFFTJHDPUMLLP-OSAQELSMSA-N	249.785	4.503	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@@H](CC(C)C)C(C)C	1941266319	DEEOYWOAMRLSIJ-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C[C@H](C)CC(C)(C)C	1941267878	YDXXLBVSCRZKRU-RRFJBIMHSA-N	241.463	4.848	0	10	BJAE	
CC1CC(C)(C(=O)CC2CCC(C)(C)CC2)C1	1941982022	MQLFJYJLYGXUPZ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944197266	ANHNUUXTPHAYHO-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CCc1cc2cccc(C3(C)CC3)c2nc1Cl	1944605221	CXQBCHCHFSWLFS-UHFFFAOYSA-N	245.753	4.502	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H]1C)CC(C)(C)CC	1944847134	VBHUHTSWGHLGAL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1CCC(C)(C)C1	1945601946	YQWTUZQYELZAGH-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cccc2sccc12	1945971082	WSEZSFZVGPSCPL-ZDUSSCGKSA-N	247.407	4.727	0	10	BJAE	
c1cc(NC2CC3(CCC3)C2)c2sccc2c1	1946636762	ZCGMLCHNODXMNN-UHFFFAOYSA-N	243.375	4.646	0	10	BJAE	
CC1(C)CC[C@H]([C@H](O)C2CCCCCCC2)C1	1949450438	DUZUNONCKZBNKC-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCCC(F)(F)CC1	1950012257	QCRWIFIWAMNTDR-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
Cc1c(Cl)cccc1NC1C[C@@H]2CCC[C@H]2C1	1950291464	CDAQDNSHQLUOTF-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1C[C@@H]2CCC[C@@H]2C1	1950297733	QPCFGIXUEKUTCU-JONQDZQNSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)C[C@]1(CO)CCCC(C)(C)CC1	1950910466	GSUDIERCUZBEDQ-INIZCTEOSA-N	240.431	4.782	0	10	BJAE	
CC=CC[C@H](C)c1ccc(OCCC)cc1C	1951308829	OTZIBJKBIIRWME-ZDUSSCGKSA-N	232.367	4.854	0	10	BJAE	
CC=C[C@@H](C)Cc1cc(C)cc(C)c1OCCC	1951308835	OWLSKFOXPHGHIX-CYBMUJFWSA-N	246.394	4.847	0	10	BJAE	
CC(C)=CCC[C@H](C)NC1C[C@H]2CCCC[C@@H]2C1	1967698739	FVTVECUBOIYUOT-ARFHVFGLSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CC[C@H](CNc2ccc(C(C)(C)C)cc2)C1	1968276176	XEKFGEKGLKRDTI-KGLIPLIRSA-N	245.410	4.832	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)c1	1968341129	IILZDZJZGVJESF-VPWBDBDCSA-N	249.373	4.617	0	10	BJAE	
CCOc1cccc(N[C@@H](C)CCCC(C)C)c1	1968622142	BNXJGBLETHEESH-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
CCc1cc(NC[C@H]2CCC(C)(C)C2)ccc1C	1969681743	XILZOAAIRJNUFH-AWEZNQCLSA-N	245.410	4.796	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1CCCC(C)(C)C1	1978392791	ABBXHTFEZJGHGF-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCC[C@H](N)c1ccccc1Cl	1980685288	PWAVYMRUXHYIQE-AWEZNQCLSA-N	239.790	4.556	0	10	BJAE	
C[C@H](CCO)CC1CCCCCCCCC1	1984044274	TUOKDCWTCQGCED-CQSZACIVSA-N	226.404	4.536	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)C(C)(C)CC	1989802697	GJGRPKGWKQRIDC-UKRRQHHQSA-N	228.420	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CC(C)(C)C)CC1	1989840251	XRGZPIBTCUDUDH-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cccc(C)c1Cl	1994170528	FERWGUJXUBNHCS-LLVKDONJSA-N	238.758	4.657	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H](C)C(C)C	1995205483	TWYRUUDELKZCOK-UONOGXRCSA-N	226.404	4.844	0	10	BJAE	
CCSc1cccc(NC[C@@H]2CC[C@H](C)C2)c1	1996220318	WCDUSWXAHRUUNG-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1CC[C@H](C)C1	1996249416	FMTCULNNCJLOQL-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(Nc2ccccc2SC2CC2)C1	1996558014	KAPXQCUFDWQXDN-UHFFFAOYSA-N	247.407	4.542	0	10	BJAE	
CC(C)C[C@@H](O)[C@@H]1CCCC2(CCCCC2)C1	1996647190	JDVKSJXAKVJCLR-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](N[C@H]1CCC2(CCC2)C1)c1ccsc1	1998692362	BXZXVFUCMJCZMP-KBPBESRZSA-N	249.423	4.512	0	10	BJAE	
CC(C)CC(CC(C)C)NCCCC(C)(C)F	1998832550	HDSAVCNHNIKFPQ-UHFFFAOYSA-N	245.426	4.565	0	10	BJAE	
C[C@@H]([C@H](N)C[C@H]1CCC=CCCC1)C(C)(C)C	1999988548	RHHAEMGTYYKVEY-SOUVJXGZSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)NCCCC[C@@H]1CCC=CCCC1	1999992653	IBHBOVXTWFWIBI-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](NCCC)C1(C)CCCCCC1	2000390863	RQHXXRDKHGXWDY-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@](C)(CN)C[C@@H]1CC12CCCCC2	2001212841	BZDMYLCLXMQBNN-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
O=C(c1ccsc1)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2001493964	DHFYZFHCFYHGFI-KWCYVHTRSA-N	248.391	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1[C@H]2CCCCC[C@H]21	2002150286	FITLNMNJTHKCHB-MIFYACCESA-N	234.383	4.518	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)[C@H]1CCCC(C)(C)C1	2003025276	UUZOBKHAVZRHSU-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(C(=O)C[C@H](C)CCC(C)C)c1	2003646261	LNVOKFYBAJSRTL-CQSZACIVSA-N	232.367	4.640	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C1(C)CCCCCCC1	2004923857	VJPVACHLLOQFDE-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)CCCC1(C)CC1	2007621462	CWFWCQZVJPDDNB-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(Cn2ccc3ccc(Cl)cc32)C1	2007766848	CEALTVHGNOGMBL-UHFFFAOYSA-N	247.769	4.731	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCC[C@H](C(C)C)CC1	2009572821	PAZCLWQVUMNWGC-CGFBPQRUSA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@H](CCC1CCCC1)NCC	2009620251	SXOOACSZIKRYGM-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC[C@@H](NCCC)[C@@H]1C	2009620974	ZSHSGLOSQKSSJI-PSVUTLLTSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)C[C@H]1CCCCCCCC[C@@H]1O	2015274016	IKFVHHWCNVNICW-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@H](C)C(C)C)cc1	2015282218	TVRZHDIBGWBOAE-BBRMVZONSA-N	234.383	4.526	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(=O)C1(C)CCC(C)(C)CC1	2016415708	BVEJEVBUELXOSL-BLLLJJGKSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@@H](O)C1(C(C)(C)C)CCC1)C(C)(C)C	2017154704	MJDVYNCVMOVLMG-QWHCGFSZSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CCCC1(C)C	2017476733	AHPIIDXZYQQECT-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C[C@@H]2CCCC[C@]2(C)O)CC1	2017712602	PZOZKXVEMSTVCW-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](N)(CC)C1=CC[C@H](CC)CC1	2018139896	XDWMVSOXLURSHV-GOEBONIOSA-N	237.431	4.811	0	10	BJAE	
CCC1(COc2ccccc2C(C)(C)C)CC1	2018910264	JYROAIVNIUWMAJ-UHFFFAOYSA-N	232.367	4.553	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@H](C)C1CCC1	2019355980	YUAJXCKBYCQHNB-GOEBONIOSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)CCN1C[C@@H](C(C)C)CC[C@H]1C	2019378823	ALGVSJWYNJVMLN-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCSc1cccc(NC[C@@H]2C[C@@H]2C(C)C)c1	2022482441	CDBYIVVNACIPFI-SWLSCSKDSA-N	249.423	4.503	0	10	BJAE	
CCN[C@H](C)[C@H](CC)C[C@@H]1CCCC(C)(C)C1	2024101474	KXDSYBDNQCGCNG-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@H]1[C@@H](NCCC)CCC[C@H]1C	2024517425	RMAMAEYMGCHWIE-CLTGJZPWSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1C[C@H]2CCC[C@H]1C2	2026239228	RPBOSSWKFXPKFY-JONQDZQNSA-N	237.431	4.514	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2C[C@H]3CC[C@H]2C3)CCCCC1	2027311242	ISKKFDYHGDTOQK-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NCC)c1ccc(C)cc1	2028265033	QMBBJJHOBPSUBB-SJORKVTESA-N	247.426	4.718	0	10	BJAE	
CCCC1(C(=O)C[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)CC1	2029181803	PVZPFTSPEKEWJY-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](N[C@]23CCCC[C@H]2CCC3)CC[C@H]1C	2031798963	QLDURPRVZTVILO-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC([C@]2(N)CCCCC23CCC3)CC1	2035927894	VGSHAACDFWVTFU-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc([C@H](C)N[C@H](C)[C@H](C)CC(C)C)c1	2036385789	WGGBAAGOHORGAL-OAGGEKHMSA-N	247.426	4.716	0	10	BJAE	
CC(C)(C)C1CCC([C@]2(N)C=CCCCC2)CC1	2037198877	RPBSBZVRRHXROS-DQPZFDDXSA-N	249.442	4.667	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)[C@H]1CC[C@H](C)C1	2037676713	XMSOZGUZTJMNKE-ZFWWWQNUSA-N	244.378	4.504	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1[C@H]1CCC2(CCCC2)C1	2037704164	QDSRYXFYGPOULR-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@H]1CC12CCCCC2	2038999443	KONKIUBLQGUILN-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC12CCC(CC1)C2)C1=CCCCCCC1	2039353308	DXLFTNMMZMSGKZ-WIHSUSGWSA-N	247.426	4.565	0	10	BJAE	
C=CC=CCC[C@@H](NC)[C@H]1CCCC(C)(C)CC1	2039384802	MEVOWTVXXCHYPW-JKSUJKDBSA-N	249.442	4.703	0	10	BJAE	
C[C@H](NC[C@@H]1CCC2(CC2)C1)C1(C)CCCCC1	2039860289	UNXFSFMKQSZDFY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC[C@@H]1C=CCCCC1)C1(C)CCCCC1	2039872374	MOIDZRBFWBRTJY-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2041378875	HGOZUSABZBBHRC-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C1=CCCC1)[C@H]1CCC[C@@H](CC)CC1	2041380781	VIZISEXCMMUCTF-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@]1(C)CCCC1(C)C)[C@]12CCCC[C@H]1C2	2041729777	SZDUSYYIQYLLQW-XJNFMUPTSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(OC[C@@H]2CCC=CCCC2)cc1F	2045314643	MDKDASBBPBAMKM-CQSZACIVSA-N	248.341	4.649	0	10	BJAE	
C1=CCC[C@@H](CNCCCC2CCCC2)CCC1	2045332921	UBPONMOXILZECG-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCC1(C(=O)C[C@H]2CC3CCC2CC3)CCC1	2045566677	RNOSLABXROAXLO-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCN(CCC(C)=C(C)C)Cc1ccc(C)cc1	2046564849	YCYDJYUIVXHUNA-UHFFFAOYSA-N	245.410	4.563	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@H]1CCC12CCC2	2047934012	YESSCRFTLOAKEU-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@H]2CCC23CCC3)CC1	2047956122	LDAKVMNGQQNHAI-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@H](C)[C@@H]1CCC[C@H](C)C1)c1ccco1	2049570221	JWXVDPZTRSZILN-YJNKXOJESA-N	249.398	4.535	0	10	BJAE	
C1CCCCC(NC[C@@H]2CCC[C@H]3C[C@H]32)CCC1	2049669072	GNVGSOZJHADZIY-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCC[C@H]1O)c1ccccc1	2049680993	JRXVBJFURFQLKO-HYVNUMGLSA-N	246.394	4.512	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CC2CCC3(CC2)CC3)C1	2049853183	JKOJUOIIXZCRAH-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CCc1ccc(NCC2(C)CC(C)(C)C2)cc1C	2050109362	ZMKLTUXFSKHPPU-UHFFFAOYSA-N	245.410	4.796	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1c(C)cccc1C	2051407690	JLFDRKASJXAQSP-INIZCTEOSA-N	245.410	4.700	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@@H]1CCCCC12CC2	2053410775	GUASUZCGWJWJIR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2C=CCC[C@@H]2C)CC1	2055589551	WHOVJZIGZDAPLD-HOCLYGCPSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC(C)(C(=O)CC2[C@H]3CCC[C@H]23)CC1	2056534840	UXOCDVPGWAUOBA-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)C2(C3CC3)CCCC2)C1	2057610025	VQNLHJLYSZDQPV-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](C)CC[C@H]1CNC1CC1	2059250962	VOCHWSQOSBRZKY-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@H]2CCC[C@H](C)C2)CC1	2061099332	OIYDACITOUDIKP-FSDCSDTHSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@](N)(C1=CC[C@@H](C(C)(C)C)CC1)C1CC1	2061120291	WKRPHUORGQGIBM-CXAGYDPISA-N	249.442	4.523	0	10	BJAE	
C=C=CCCN(C1CCCCC1)C1CCCCC1	2061543906	FZXYTKQZHYCXEQ-UHFFFAOYSA-N	247.426	4.685	0	10	BJAE	
CCNCC1(CC[C@]23CCC[C@@H]2C3)CCCCC1	2061616307	ZPILPUIDRJQIPA-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](C[C@@]12CCC[C@@H]1C2)C1CCCCC1	2061624520	YTVLYMHBSCMHGR-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1N[C@@H]1CCCCCC12CC2	2062017453	OSRIWOIMAQTJAE-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CC=CCCCN[C@H](CC)c1ccc(CC)cc1	2062372084	NAYPIJQPQZIFAZ-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC(C)c1ccc([C@H](N)CCC[C@@H]2C[C@@H]2C)cc1	2062618967	HHJOUJNDUYBEFU-IAOVAPTHSA-N	245.410	4.636	0	10	BJAE	
C[C@H]1C[C@H]1CCCNc1ccc(C2CCC2)cc1	2062645505	GBSCCWDFXGDKRO-XJKSGUPXSA-N	243.394	4.802	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063517416	TYUMAYBOUXQVJD-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]2C1)C1(C)CCCC1	2067519088	CMEMXPJUNBHYMG-ZJIFWQFVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2CC23CCC3)CC1	2069194003	QDIFZVBHCIQXRQ-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1(CNCC2(CC3CC3)CC2)CCCCCC1	2069504610	CVKPYBMFAOLFQH-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@]23CCC[C@@H]2C3)CC1	2070920392	CTLXIXCTMJJFMC-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC1(C(C)C)CCC1)[C@]1(C)C=CCC1	2071945180	DHLBPSWOFRUXLT-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@@H]1C)C1=CCCCCC1	2072076928	PYUFXGKMFXGKOA-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@@H]2CCCC23CC3)CC1	2072796586	PVHJBFIBHJBYBC-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(CNC)CC=CCC2)CC1	2072798113	GPAAIBJCCDUHHG-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@]2(C)C=CCCC2)CC1	2072805329	BCNINGGAGFERHV-SJJHQCBESA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC1CCC(CC)CC1)C1CC=CC1	2072808328	FRSPNQAFNYRNKL-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2(CC3CC3)CCC2)CC1	2072870551	DEUVHXCYJMFRPU-HDJSIYSDSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2072881551	KLJHULWVTZITMJ-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)Nc1cc(C(C)(C)C)ccn1	2073284224	AXRWQMGLZHRGTO-CQSZACIVSA-N	248.414	4.760	0	10	BJAE	
C1=C[C@@H](N2CCCC[C@H]2C2CCCCC2)CCC1	2075082971	VBSAOYIHXZTDSE-SJORKVTESA-N	247.426	4.530	0	10	BJAE	
CC(C)CCCCCN1CC[C@H]1c1ccccc1	2075154073	NEHDTBSAZBXONS-KRWDZBQOSA-N	245.410	4.650	0	10	BJAE	
CC1(C)CC[C@H](Nc2ccccc2C2CCC2)C1	2077264614	WZDAJSXTNGVHGL-AWEZNQCLSA-N	243.394	4.945	0	10	BJAE	
CC(C)NC[C@@]1(CC=C2CCC2)CCCC1(C)C	2081676189	IYYHAUMGUUHZKL-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)C[C@@H](C)CC(C)C)c1	2082930757	UYGHTVMFCUNEKQ-SJCJKPOMSA-N	247.426	4.684	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)CCC=CCCC2)C1	2082979701	POWRDATUTQUJNW-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CCCCC[C@H](N)CC1C[C@H]2CCC[C@H](C1)C2	2213291408	CCVNKOCBQIJWNW-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCN(CCCCCCC1CC1)CC(C)C	2213580390	LKSFZBYIJIHWIR-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC[C@@H]1C[C@H]1CC	2215242628	AGLADPDPWASSIA-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CC)[C@@H](C)CCC	2215252152	MXWPBZINVTYZHU-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2CCCCCC[C@@H]2O)C1	2215397383	CGLHYFHXCSTZED-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@]1(C)CC=C(C)CC1	2215823179	FUYZZJQNXMAZFK-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)CCC[C@@H](C(C)(C)C)C1	2216247432	MCNWQZAHLRHLFW-TTZDDIAXSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](CCCCCCCCC1CC1)C(C)C	2216879216	ZLWTYAOPOOZVMW-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)[C@H](N)CCCCCCCC1CC1	2216879426	IYJXWRGQLYTWNJ-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1C[C@@H]1C(=O)CCCCCCCC1CC1	2216901045	PBBBYMWOBPPWAB-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
CCC[C@]1(CN[C@@H](C)CC)CCCCC12CC2	2217151067	RJTHHIBCYSYOTB-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)C1CC(CC)C1	2217154243	RZCGUDKFMNUJLT-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1NC[C@]12CCC[C@H]1C2	2217240233	HLYWTBYFYYFBIU-SWLSCSKDSA-N	249.785	4.505	0	10	BJAE	
CC(C)=C(C)CN1CCCC12CCC(C)(C)CC2	2218014756	GLQFODGMGSWRDL-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1C[C@@H]2CC[C@@H]2C1	2218724799	KICRGMHAQBKWBM-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC2(C)CC3(CCC3)C2)CC1	2220937276	XAKHKSAAWXDTIB-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCCN(CC[C@@H]1C[C@H]1CC)c1ccccc1	2220985798	ODQXCFYGONOYPI-HZPDHXFCSA-N	245.410	4.729	0	10	BJAE	
C[C@@H]1C(=O)CC[C@@H]1C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222970631	DDRWULHRCYQNGI-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](CC2(CNC3CCC3)CCCC2)C1	2223549101	SDHQXYQJKNSBRD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC1CC(CNC2CCC2)(C2CCCC2)C1	2223560583	AWPBNTJUCXVVDY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@]1(CN[C@@H](C)CC)C[C@H]2C=C[C@H]1C2	2223561074	SAWRTTYXRHPCHO-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCNCCCCC[C@H](C)CCCC(C)C	2244866158	DQQWJTHINYOPSF-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@@H](CC)CSCCCC(=O)CC	2246065490	AOKOFTMZHHMJRX-CYBMUJFWSA-N	244.444	4.695	0	10	BJAE	
CCC[C@@H](CC)NCC[C@H]1CCCCC12CC2	2246645410	XFLAFPLGJCUIQQ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@@H]2CCC23CCC3)c1	2247394803	RQGXTUGZOYXTPB-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CC(C)(C(=O)CC1=CCCCC1)C1CCCC1	2247455646	KLWVTPUVFLIYDF-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC1CC(C(=O)CCCCC[C@H]2C[C@@H]2C)C1	2248855394	RZVJNDFCJFMHGL-LQULJDIASA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)CC(C)(C)F	2250479809	YTEKZXFNTRFQKZ-UONOGXRCSA-N	246.410	4.728	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNC(C)(C)CCF	2250495782	LOZLZZDCXVMWNB-CQSZACIVSA-N	245.426	4.567	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCCCC12CC2)CC1CC1	2253812113	PECXERDMWZPJNB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc([C@H](N)CC[C@H]2CCC[C@H](C)C2)c(C)o1	2253925385	VHBYEEJUJNOIDJ-SGIREYDYSA-N	249.398	4.503	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC[C@@H]1CCC[C@H](C)C1	2253932751	BWXFYRHMRMUMHG-QRTARXTBSA-N	245.410	4.601	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CCC[C@@H]3C[C@H]32)C1	2253932938	WBOYAOWPOSZDPY-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@@]2(C)CC=CCC2)C1	2253935552	OKOTYJUVKZPLLU-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNCC[C@H]2CC=CCC2)C1	2253950790	GINARMTZYQDRGW-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC(=CCCNC1CC1)CC[C@H]1CCC[C@@H](C)C1	2253963490	QEODCVJPVLNIJU-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)CCC23CCCC3)C1	2253999679	YHEGKQRVWKDOAP-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
N[C@]1(CC2CC3(CCCC3)C2)CCC=CCCC1	2254115908	ZOWARAIHCWHUDM-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC1CC2(C1)CC([C@]1(N)CCCC(C)(C)CC1)C2	2254471372	SQCYBCQBXYMXOQ-DRRRZMAASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)C1CCC2(CC1)CC2	2254595183	SQZNWHZILAPUIE-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H](N)[C@@H](CC2=CCCCC2)C1	2255092069	QJZPPXGFROHTGQ-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
CCC1(C[C@H](C[C@H]2CCCC23CC3)NC)CCC1	2255250686	YRRKKDSTXKSJHM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CC[C@H]2CCCC23CC3)C1	2255308062	GZWVIEJXDBKOMW-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(F)cc1NCC[C@@H]1CCCC12CC2	2255333557	SOHZDYCGFJRMMW-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNC1CCC2(CC1)CC2	2257316537	RQQXTHBXMVKDSR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(NCC[C@H]2CC2(C)C)c1	2257883687	ZABPXCRPZDQDER-AWEZNQCLSA-N	245.410	4.832	0	10	BJAE	
CCC[C@@H](CC)C(=O)CCC=Cc1ccccc1	2259434320	ALUZDRGFSVCVJT-MRXNPFEDSA-N	244.378	4.875	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cccc(CC(C)C)c1	2259443763	MYCRASIMYUXGHX-RDJZCZTQSA-N	248.410	4.745	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(N)C[C@H]2C=C[C@H]1C2	2259598743	CINJZJBGPUVNSA-LUKYLMHMSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C[C@]12CCC[C@H]1CC2)C1(C)CCCC1	2260616346	ZLDCEJWTFUKRMM-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1Nc1cccc(C2CCCC2)c1	2260735340	JTKOCKPNKWODCO-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CCCCC=CCCCCCCCC(=O)O	2296597427	YWWVWXASSLXJHU-UHFFFAOYSA-N	226.360	4.548	0	10	BJAE	
CCNC[C@@]1(CCC(CC)CC)CC=CCC1	2300678533	LIMQZLYAKNVLLF-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H](C)C1CCCCC1	2300686881	VYKRPMBJLHUQRG-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCCC[C@H]1CNC	2300699438	GDJKJDFYRIUANZ-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2301066072	LIBRCFSMMQVDCG-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301099009	QJNJYYOKLZSJRH-SOUVJXGZSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)CC1CCCCCC1	2301243130	ZDNHEYISDMKQTR-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)[C@@H](C)C(C)C)CC1	2301684795	GXJBWIDRYQAOCP-JJXSEGSLSA-N	239.447	4.616	0	10	BJAE	
CCC1CC(C(=O)CCCC2=CCCCC2)C1	2302296397	KEFSJGWWHJGSKJ-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC(C)C(CC(=O)CCCCC1CC1)C(C)C	2302577689	RMNZJQMVXBUESS-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@H]1CCC(C)(C)C1	2302679382	LOTIDXGOVIXLDI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)C[C@H]1CCC(C)(C)C1	2302753218	LSPFESPDNPDTGV-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CCCC[C@](O)(CC)CC[C@@H]1CC[C@H]1C1CC1	2303077688	IJQWPCUVDJRJLY-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CCC1(N)CCCCC1	2303463347	ZCJKQYWSNQNXAM-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@](N)(CCC)C1CCCC1	2307825517	BTQIGICSRYDHBD-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCC[C@H]1C[C@@H]1C)NC	2307841039	HYNXPRIHJGALGZ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CC12CCCCC2	2307899257	BIGNEWCLWZGYMH-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312909234	JMNZLVRBCZCCFQ-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(C[C@@]23CCC[C@@H]2C3)C1	2313406064	UQWJVYQORREPNF-COXVUDFISA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@H](C)CC1CCC1	2313674351	YIDGSGNESPHOSE-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1CCCC12CCC2	2316880024	HSIIKNFKJSDDPE-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
C1CCCC(C[C@H]2CCCC[C@]23CCNC3)CC1	2317001794	NJPXHQNKAPAOMA-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317121506	LXKLWLZLZPFGDE-WCXIOVBPSA-N	249.442	4.536	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C[C@@H]1CCC[C@H]1C	2317908153	WEVRAFBPOOUFBL-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@H]2CC[C@H]21	2317922122	FZVRWRJUPSBTHF-KCPJHIHWSA-N	247.357	4.550	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@@]12CCCC[C@H]1C2	2317967136	WBLOVELDMUCMED-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1=CCCCC1)CC[C@@]12CCC[C@H]1C2	2317972074	GUDLPIIFFFMFBC-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
CC1CC2(C1)CC(N)(CCCC1=CCCCC1)C2	2318565932	RBROCNRKBLQHOZ-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCN(CCCC2=CCCCC2)C2(CC2)C1	2318574889	AOCYFYCXVMGJRZ-OAHLLOKOSA-N	247.426	4.532	0	10	BJAE	
Cc1coc(C)c1C(=O)C[C@H]1CC[C@H]1C(C)(C)C	2320234240	FKFXTJMLOBEWQO-CHWSQXEVSA-N	248.366	4.542	0	10	BJAE	
Cc1cccc(F)c1NC[C@H]1CC[C@H]1C(C)(C)C	2320320542	PDSVVVUDAKMXGO-CHWSQXEVSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@@H](COc2ccc(C)c(F)c2)CC1	2320347754	KXPXPGUWZIBNSZ-AWEZNQCLSA-N	248.341	4.649	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)C1CC(C)(C)C1	2320388580	RGTMGVHSPWTMAN-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1ccccc1C1CC1	2328214577	YDQGDJHTOPHHJE-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccc(C)cc2F)cc1	20372075	QQEVNXSJJMAEMF-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1csc2ccccc12	35499702	WDBLZZUSMHFEMX-CYBMUJFWSA-N	247.407	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)NC1[C@H](C)CCC[C@H]1C	36849104	FTTHFEJRJMZCLK-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CCCCCCN[C@@H](c1ccc(C)cc1)C1CC1	37232582	GOTRIBFANJHDDI-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@@H](C)CC)c1cccs1	49541335	SGYFWOOREPIWQD-XQQFMLRXSA-N	239.428	4.614	0	10	BJAE	
Cc1cc2cc(Cl)cc(Cl)c2nc1Cl	63116153	VYPQAMZJBYZUPP-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCCC[C@H](CC)Nc1cccc(C)c1C	68985686	UJEKDIHPSQOKBJ-AWEZNQCLSA-N	219.372	4.684	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2ccc(C=O)s2)cc1	82552031	DQYQTVWXGVULDY-LLVKDONJSA-N	244.359	4.741	0	10	BJAE	
Cc1ccc(Nc2ccccc2Cl)cc1C	82715118	RQIZHXIAWRQRSS-UHFFFAOYSA-N	231.726	4.700	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@H](Nc2ccc(Cl)cc2)C1	82857318	TWTLMHFWFFFFCR-JTNHKYCSSA-N	237.774	4.577	0	10	BJAE	
O=C(c1sccc1Cl)C1CCCCCC1	87620877	XLUHFMHQKMUPAL-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)c2cc(C)cc(C)c2)C1	87988302	WKODMODCFVGYHY-INMHGKMJSA-N	245.410	4.520	0	10	BJAE	
CC(C)[C@H](NCCC1CCCC1)c1ccccc1	109896528	GKGLDLGHYFXDTN-KRWDZBQOSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCCC)c1ccco1	110226581	DXHZKVTZUWSUGK-DZGCQCFKSA-N	237.387	4.537	0	10	BJAE	
CCCN[C@@H]([C@@H]1CCCC[C@@H]1CC)C(C)(C)C	111746908	GREAVMQNTFIBJA-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C[C@H](C)C(C)(C)C)NCCC	124706366	IWQJIDIUZXOWLQ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC1(C)Cc2[nH]c3ccc(F)cc3c2C(C)(C)C1	125062601	AHHYWYZSIHONLA-UHFFFAOYSA-N	245.341	4.557	0	10	BJAE	
CCC(CC)C[C@H](NC)C1CCCCCCC1	148633065	YJZKISDZRHRUQH-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc(CC)c1NCCCC(C)C	165234818	GZYXMKWGHRSIBS-UHFFFAOYSA-N	233.399	4.660	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCCC(C)(C)CC1	165634312	WCDYUUZPTPXAOV-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H](CC)c1ccccc1	168072940	GDBAJHNGPIVTIP-SJORKVTESA-N	247.426	4.595	0	10	BJAE	
CCCN[C@@H](CCC)c1ccccc1C1CCC1	169033766	UKSHQWNSESYEMX-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CCCC[C@H](CC)c1nc2c([nH]1)C[C@@H](CC)CC2	216978826	OTUCRJHCKNXCNI-STQMWFEESA-N	248.414	4.608	0	10	BJAE	
CC(F)(F)C1(c2cccc(Cl)c2)CCCC1	220825973	YFMZPCIRTNRURB-UHFFFAOYSA-N	244.712	4.807	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H]1C[C@@H](C)CC(C)(C)C1	224814251	WXSADFVJHQLBOU-UMVBOHGHSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)c1ccccc1	225972930	SSNVHRCZIUWHEI-GOEBONIOSA-N	233.399	4.696	0	10	BJAE	
CCCN[C@@H](CC1CCCCCC1)[C@H](C)CC	228807303	CIZINJZNXPPHGX-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
O=C1CCCCC[C@@H]1c1ccccc1C1CCC1	229625633	DAVQFKFUQJJTTR-MRXNPFEDSA-N	242.362	4.571	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	229747339	LXMPJDNNCUKQEJ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@]1(N)CCC[C@H](CC(C)C)C1	230788556	YJFFQKQEOXOIGL-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)c1ccc2oc([C@@H](C)NC)c(C)c2c1	232350891	AUHZGNOZHSVOIY-CMPLNLGQSA-N	245.366	4.535	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@H]2CCCC[C@H]2CC)C1	251549052	HVGWZQRAURCQOI-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](O)CCCC(C)(C)C	300926234	UKLRPJYIUBIKJQ-AWEZNQCLSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccc(C(C)(C)C)cc1	302332297	IDSYZAZYRMPQRA-XJKSGUPXSA-N	248.410	4.844	0	10	BJAE	
Cc1cccc(N[C@H]2/C=C/CCCCC2)c1C	302499738	TZDNSTXZLXJSKH-WGPYJDKQSA-N	229.367	4.604	0	10	BJAE	
Cc1cccc(C(=O)CCCC(C)(C)C)c1F	304138663	FZNJDIPQLFJELG-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1(C)CCCC1	308054781	LFAZZQRWAYETGU-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCC1(CC(=O)C(C)(C)C(C)(C)C)CCC1	309662582	YNIFQJTWEPCFEF-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
Cc1cccc(F)c1NC[C@H](C)C1CCCCC1	311186113	AXNLBPWTKCJZPE-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
C/C=C\CC1(CNC2CC2)CCC(C(C)C)CC1	317713802	ITMZGOFNZWTKRO-PLNGDYQASA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1ccc(C(C)(C)C)cc1	319374245	QPONRPKXAFCLHA-XEZPLFJOSA-N	248.410	4.700	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)CC1CCCCCC1	319843502	MKROGKUJVWNQFF-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CCc3cc(N)ccc32)C1	380773132	UDNDDYJEVQZGQQ-DVOMOZLQSA-N	243.394	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](N)C1CCCCC1	383098014	DOLHXRXJHKKKBL-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H](O)c1ccc(Cl)o1	383582914	WIJXYTVJRNPBAH-LLVKDONJSA-N	244.762	4.573	0	10	BJAE	
CC1(C)CCC(CC2(CNC3CC3)CCC2)CC1	385206504	WJOIZCMOPHGVFF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1ccc(C)c(C)c1)[C@H](C)CC(C)C	385341468	XJSFOEFLJGIZAW-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CCC1=CCCCC1	386248302	IVBWXMAYURHREG-MRXNPFEDSA-N	244.378	4.617	0	10	BJAE	
Cc1cccc([C@@H](O)CCC2=CCCCC2)c1C	386348757	YBEQBAMSZQSSOK-KRWDZBQOSA-N	244.378	4.617	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cscc2C)cc1F	387223240	SYARPMPOAIUNCD-LLVKDONJSA-N	249.354	4.677	0	10	BJAE	
CC[C@H](N[C@@H](C)c1ccc(C)cc1)C1CCCC1	387590442	SJLMKBRWDAZTAH-YOEHRIQHSA-N	245.410	4.614	0	10	BJAE	
FC(F)c1ccc2c(C(F)F)cccc2c1	390063354	WWZOXDIAJNWQOJ-UHFFFAOYSA-N	228.188	4.715	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)C2(C)CCCCCC2)C1	394611377	SGQZXLCELNZXQZ-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C[C@H](C)C1CCC1)NCCC	398688299	FXAZWTTWKSYWPJ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(CC)c([C@H](O)[C@H](C)C(C)(C)C)c1	399192064	WKRFCNQXVQBYQG-BLLLJJGKSA-N	248.410	4.527	0	10	BJAE	
CCC1(CNc2cc(Cl)cc(Cl)c2)CC1	687537426	SRKYLBQZHMUEQZ-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](O)CCCC1CCC1	688415733	MCSAIYOWIQXBOQ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc2c(ccn2CCCC2CCC2)c1	688857168	KWQCEQZSOZEEBK-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(O)CC1CCCC1	691129005	RVEFKUMNBKZYDE-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCCC(C)(C)C	691190788	WQIBYRUKFFKODR-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)CC[C@](N)(CC)Cc1ccccc1	696676272	BEWAYGXAPJSXSB-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)C1(C(C)C)CC1	697632228	TVUBDKCMPWGIRL-INIZCTEOSA-N	245.410	4.507	0	10	BJAE	
Cc1ccc(Cl)c(NC2C[C@H]3CC[C@H](C2)C3)c1	697697786	DFUFVNUMVOUEJI-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@H](CCC=C(C)C)C1	697775433	XOAYYEPCOKTGLU-OAGGEKHMSA-N	237.431	4.524	0	10	BJAE	
CCCCCC[C@@H](CCC=C(C)C)NCC	697778550	XZRSDZFAUDJWFF-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CC(C)CCC[C@@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	699036961	FGFNFTZLNLIXLN-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H]2C[C@@H]2C(C)(C)C)cc1	699951098	FNBMHNULAJPYEL-JYJNAYRXSA-N	246.394	4.526	0	10	BJAE	
c1cc2cc(N[C@@H]3CCCC34CC4)ccc2s1	706547700	ZQKDYNAJDDXNPW-CQSZACIVSA-N	243.375	4.646	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)[C@H](C)CC(C)(C)C	708257457	YKCHLAARKWWLOB-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
CC[C@@](O)(C[C@@H](C)CC(C)(C)C)C1CCCC1	709129871	IJSSGVCGFCOCHC-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(OC[C@H](C)CC(C)(C)C)c1F	709255836	BEDTYRIMCPIRDK-LLVKDONJSA-N	238.346	4.585	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1CCCCC1(C)C	709761486	ZORMDMGMAZZWJU-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H]1C[C@H](C)c2ccccc2N1	713137237	XKLACSIQMZHTRS-STQMWFEESA-N	231.383	4.801	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC(C)(C)C(C)C)C1	713270498	YAYNELWPVSFVNP-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
C=C/C=C\CCC(=O)C[C@@H](CC)C(C)(C)C	713684188	NFJLEMBNWYCNHY-LJTDUEICSA-N	222.372	4.540	0	10	BJAE	
C1=CCCC(Nc2ccc3ccccc3c2)CC1	718083824	WOSSAXOCBVEUSA-UHFFFAOYSA-N	237.346	4.751	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1CC2CCC1CC2	718631716	FXEJRCMOVYWQHN-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)C[C@]1(CNC2CC2)CCC=CCCC1	718995571	CYPUXCMJJRIYRQ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)CCCCNC(C)(C)C1CCCCC1	1181287053	XXEOBJVOXSAHPD-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
C/C(=C/Cl)CSCC(C)(C)CC(F)F	1613733964	CDWUZCGNFFYXPN-YVMONPNESA-N	242.762	4.544	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3CCC[C@H]3C2)CC1	1657218503	UZSJANLSHBEWHR-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC=CCCc1ccc(Cl)c(Cl)c1C	1888158092	TWRXFKRXEOSMDV-UHFFFAOYSA-N	229.150	4.811	0	10	BJAE	
CCC(CC)CC[C@](C)(O)[C@@H](C)CC(C)C	1900697042	NHMWOLIBGBMTOP-ZFWWWQNUSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)C[C@H](CC)CCC	1905435723	UCFZWFBAMGNERE-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CCC[C@H](CC)CCC)NCC	1905449119	ZVGWEWZRYJXERE-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCCCC[C@H](C[C@@H]1C[C@H]1C(C)C)NCCC	1910738371	ZBZVFSSVQZEMIB-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@H](NC)[C@@H](CCC)CC(C)C	1911979773	LVMQCDJVIFLHHZ-HOTGVXAUSA-N	237.431	4.559	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1CCCCCCCCC1=O	1913387732	AGRQPURCNBJCCO-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC3(CCCC3)C2)c(C)c1	1916427599	PSDCAMSZKQMVMG-OAHLLOKOSA-N	243.394	4.828	0	10	BJAE	
CC(C)CC[C@](C)(O)c1ccc(CC(C)C)cc1	1919643641	HCXGDBYMJTYYEZ-KRWDZBQOSA-N	248.410	4.529	0	10	BJAE	
CCC[C@@H](NC1C[C@H]2CCC[C@H](C1)C2)C1CCC1	1923483175	CZJDXOLOVMGEFU-GRDNDAEWSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc([C@@H](N)[C@@H](C)C2CCCCC2)c1C	1924129710	HUWTULSMQRZWGM-YOEHRIQHSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@@H]2C=CCCCC2)C1	1925769693	UERREEZSXJFVEE-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCC[C@@H](C(C)C)C1	1926159555	MFZJCWUSIWJSPB-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCc1csc2ccccc12	1930912747	HUPFITHUPVLVQB-UHFFFAOYSA-N	216.349	4.800	0	10	BJAE	
Clc1ccc(C[C@@H]2C=CCC2)cc1Cl	1932592859	MXAKBXJQZJRFMA-SECBINFHSA-N	227.134	4.502	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)CCC(C)(C)C	1937267435	NBCDEZHRLRJROQ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)C1(O)CCCCCCCCC1	1938718753	MDZGPGQONRTCET-CQSZACIVSA-N	226.404	4.678	0	10	BJAE	
CCCN[C@H](C(C)(CC)CC)C(C)(C)C1CC1	1941134967	YHIHDOCIDMGGQB-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CCCC[C@H]1C(C)C	1941357266	GQVTWJPJSBYAJA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCCCCC2CC2)C1	1941580891	FFJRAAJBGKYLNA-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCNCC1(CC(C)(C)CC)CC(C)(C)C1	1941983174	CZSXGLOGSRXVBW-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@H](O)CCCC(C)(C)C)C1	1943016407	JIJWNUDPJJJVGK-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@]12CCCC[C@H]1CCC2	1944233522	AQXJPPNJTMRCCG-XJKSGUPXSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)C1=CCCCCCC1	1947516780	WFWWFWLGBTWIMD-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H]1CCCC[C@H]1C)CC(C)(C)C	1949020439	JCVRNPBBXJEUIT-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC(C)(C)C1)C(C)(C)C	1949825432	MFTHDVBEFLBPDD-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC[C@@H](O)CC1CCCC1)CC(C)(C)C	1949866090	GNCLZQGCIHDTBT-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)c1ccc(-c2sccc2C=O)cc1	1951261222	OHKYUHQFWBDCFF-NSHDSACASA-N	244.359	4.741	0	10	BJAE	
CCC(C)(C)CCN1CCCC[C@H]1c1ccco1	1964148535	MMUMEDNOWFWAJW-AWEZNQCLSA-N	249.398	4.633	0	10	BJAE	
C[C@@H](CN(C)CCCCCC1CC1)C(C)(C)C	1966440837	FCVXWWVUUMIXFE-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1CC[C@@H](C)C1	1968370292	FSTVXHJMZLBXRF-KGLIPLIRSA-N	232.367	4.625	0	10	BJAE	
C[C@@H]1CCCCCCN1CC1(C)CCCCC1	1970728870	YYVCOZPGWDABOX-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CCCCCC[C@@](O)(CC)C1CCCCC1	1975959511	UCHBBELHSWWISR-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)c1sccc1C	1976010557	LUWAGVMUERDXIE-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2ccsc2)CC1	1976340081	AJJFCANXIALMSF-NEPJUHHUSA-N	236.380	4.537	0	10	BJAE	
CCCC[C@@H]1CCCCCC[C@H]1NCCC	1980342027	OJYBGHGEGILCBH-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CC(C)c1csc([C@@H]2CCCCC2(C)C)n1	1981848813	AKFYJKHBMQJSBY-NSHDSACASA-N	237.412	4.950	0	10	BJAE	
C/C=C/CCC[C@@H](N)[C@@H](CCC)CC(C)C	1984631217	ABWGTAHHOWZODH-SJKUQHEZSA-N	225.420	4.523	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1csc(C)c1	1995253287	FSJWXUGCLHLJIL-RISCZKNCSA-N	240.412	4.696	0	10	BJAE	
CC[C@@H](C1CCC1)N(C)C[C@H](C)CC(C)(C)C	1995742864	CDKNUWWOTHJALT-HIFRSBDPSA-N	239.447	4.569	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@H]1CCCC[C@@H]1C	1996612305	XIGUMLNCVPFRFK-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CCC2(C)C)CC1	1997101873	BXGJHTMIMXWSHB-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@H](C)CC(C)C	1998033387	ZUUOXJQLNUPRBI-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)([C@H]1CCCC(C)(C)C1)C(C)(C)C	2000037433	HZWSSYODSOGXMP-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@H]1CCCC[C@H]1C	2000319231	HOZUBRAICDPSQM-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNC)C[C@@H]1CCC[C@H](C)C1	2000513413	UBNMEQRRYLMTPC-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CNC)[C@H]1CCC[C@H](CC)C1	2000513440	UGOBGYHUJMMSGL-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)CC(CC)(CC)C(=O)OC	2000708149	UBGWFTPOBPYDNJ-CYBMUJFWSA-N	242.403	4.572	0	10	BJAE	
CC(C)[C@H](C)[C@]1(N)CCCCC12CCCCC2	2001560636	FUFQPXRRHBAXGK-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2002150933	IHLDHKWRIGUIAG-NHAGDIPZSA-N	236.399	4.598	0	10	BJAE	
CCCCCN(C)[C@H](C)[C@H]1CCCC(C)(C)C1	2002981679	DFSBPACKODHBED-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCCCC1CCC([C@H](N)[C@@H](C)CC)CC1	2003067129	NMABHHFCRHAVRV-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
Clc1cccc2c3c([nH]c12)CCCCCCC3	2003101875	WJIMTKGDXVQDGS-UHFFFAOYSA-N	247.769	4.870	0	10	BJAE	
CCC1(C)CCC(N(C)CCC=C(C)C)CC1	2004362308	BVAYFJRYQSUXNX-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCCC(CCC)CNC[C@@H]1CCCC1(C)C	2004717676	ICDPXMXGNRYVLK-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C(C)(CC)CC	2009629751	UPRJMAOQQRCERY-WCLQSUPFSA-N	239.447	4.927	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)C1=CCC(C)(C)CC1	2010711809	DDWDFIWNYVSEEC-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@H](N)c2cccs2)CC1	2010712977	KTHBFTMZRRGXCL-JSGCOSHPSA-N	249.423	4.521	0	10	BJAE	
CC[C@@H]1CC=C([C@H](O)[C@H](CC)CC(C)C)CC1	2010722553	PSRUTBAHPQDNMK-IIAWOOMASA-N	238.415	4.556	0	10	BJAE	
C[C@@H](CC(C)(C)C)NC1CC(CC(C)(C)C)C1	2014657788	WLLOSIKNWKBYSK-HSBZDZAISA-N	239.447	4.616	0	10	BJAE	
CCCC1(C[C@H](O)C(CC)(CC)CC)CCC1	2015632412	CPAHTRFFPNZXRN-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC1(C(C)C)CCC1	2017142037	FZKXQVGCDGJPCL-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(F)CC1(N)CC(C)(C)CC(C)(C)C1	2017460955	CMGNBYPCGWIZNI-UHFFFAOYSA-N	241.394	4.574	0	10	BJAE	
C[C@@](O)(CC1CCCC1)C[C@H]1CC[C@H](C)CC1	2017654249	AWUNTSUDLNJTKJ-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)C[C@H]1CC[C@H](C)CC1	2017657275	MLOMGUOWHCPEAD-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)C[C@H]1CC[C@H](C)CC1	2017713729	BTHRRMYJKRFKOJ-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
Cc1cccc(OC[C@H]2CC[C@H](C)CC2)c1C	2017774015	JGKKFAZPYIGNAC-NNUKFRKNSA-N	232.367	4.509	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@@]12CCCC[C@H]1C2	2018620543	XMPPNKLYTPXHTC-WWGRRREGSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCC(F)(F)CCC1=O	2018857526	FCVDVJBBKFSFNM-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
CCCC1(CN(C)C2CCCCCCC2)CC1	2018956981	OIYAZIDXKOHYAC-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CCCCCCCC1	2019197748	CXKCBJKJGRPMFK-HOTGVXAUSA-N	237.431	4.611	0	10	BJAE	
CCC[C@H](C)CN(C)[C@@H]1C[C@H](C)CC(C)(C)C1	2019292461	YAGOKLBMRLZQPP-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
CCCCC1CC(N(C)[C@@H](C)CCC(C)C)C1	2019406699	JZLZJRNUGZPPSG-FHERZECASA-N	239.447	4.712	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CC1(C)CC(C)(C)C1	2019421494	NDNIEHAUTRUNIF-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H]1CC[C@H](C)C1	2020536010	QCGBFOBJOZVTPN-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCc1cccc2cc([C@H]3CCC3(C)C)[nH]c12	2024287960	WYQSUDWAGAQCAS-CYBMUJFWSA-N	227.351	4.634	0	10	BJAE	
CC=CCCC[C@H](CC[C@@H](C)CCCC)NC	2026170239	OFBSOLJMCXZPQJ-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H](CCC)C(C)C	2028265352	RPHFQVLHDZLWLS-IAGOWNOFSA-N	247.426	4.800	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1C[C@H]2CCCC[C@H]21	2028759451	IIASEJGWVQEHRR-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@H]1CCCC[C@@H]1CC1CCC=CCC1	2028875220	FVKCQSYZMZIXHG-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
C[C@H](Nc1ccccc1C1(C)CC1)c1ccoc1	2032242188	DTSALSIQWYNQNS-LBPRGKRZSA-N	241.334	4.504	0	10	BJAE	
CCc1ccc(CC)c([C@@H](O)C(C)(C)C(C)C)c1	2032273953	WDJYEUDLMNLCSB-MRXNPFEDSA-N	248.410	4.527	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1C)C(C)(C)C(C)C	2032340209	XSFBGGMAIXLALV-INIZCTEOSA-N	247.426	4.636	0	10	BJAE	
C1=C[C@H](NC2(C3CCCC3)CCC2)CCCCC1	2033058225	FIAZVZDYJXINEW-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@@H](N)C[C@H]2C=CCCC2)C1(C)C	2035592560	NWBBIDUXHPAAEH-WBTNSWJXSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC(C[C@@]2(N)C[C@@H]3CCCCC[C@@H]3C2)C1	2035852789	NEIHLBAXILTQHZ-QLPKVWCKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CC2CC3(CC3)C2)CC1	2036723197	AGHPHCDIRAQSDB-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C[C@H]2CCC[C@@H](C)C2)c1	2037048588	PMZZLKNTZOERME-PVUWLOKVSA-N	245.410	4.520	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)C1C[C@@H]2[C@@H](C1)C2(C)C	2037170876	VNEWRFXKZLOMQQ-INMHGKMJSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)C1CCC([C@@]2(N)C=CCCCC2)CC1	2037198878	RPBSBZVRRHXROS-VMBOVVBDSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@H]2C=CCCC2)CC1	2037305593	TWQPDOZRKKWJGJ-IKGGRYGDSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2038554178	VBZHIASGPOZZRX-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@@H]1CCC[C@H](C)C1)C2	2038935047	XMWSASAKLQLMPL-CHTYNLMKSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@H]2CC[C@H](C)C2)cc1	2040138626	PPWAPLQIDQVCQN-KBPBESRZSA-N	244.378	4.819	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1Nc1ccc(C2CC2)cc1	2043671705	CSEAZUSIMBYCLP-RDJZCZTQSA-N	243.394	4.801	0	10	BJAE	
Cc1cccc(OC[C@H]2CCC=CCCC2)c1F	2045315531	VKSXTIHVLFTNCH-AWEZNQCLSA-N	248.341	4.649	0	10	BJAE	
C[C@H](CC(=O)CCCC1CCC1)c1ccccc1	2045558159	BBLMJFDIGDJMQZ-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
CNCC1(C[C@@H]2CC23CCCCC3)CCCCC1	2047006741	DAMHIQHMULSJMT-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](CC1(F)CCCCC1)C(=O)c1ccccc1	2047238196	CQARGHYRDUSIGK-ZDUSSCGKSA-N	248.341	4.568	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2047356498	DEKKQIPDVJCHOK-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CN[C@@H]1CCCCC12CCCCC2	2047592699	LHUCNKYIIKTVQQ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(NC[C@]2(C)CC=CCC2)cc1	2047726315	MDHQBVSWGRAQTF-QGZVFWFLSA-N	243.394	4.797	0	10	BJAE	
C[C@H]1CC(C(=O)C[C@H]2CCC23CCC3)C[C@H](C)C1	2047936418	PVIDEXROZBVCJZ-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@H]1CCC12CCC2	2047938328	FRSUMDKXXZLRGN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@H]2CCC23CCC3)C1	2047960112	WNRDWYRDCQLYEZ-JXQTWKCFSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2[C@H]3CCCCC[C@H]32)c1	2048478675	MOEACEXSUQXZOK-BJWYYQGGSA-N	244.378	4.509	0	10	BJAE	
CCC[C@]1([C@@H]2[C@H]3CCCCC[C@H]32)CCCCCN1	2049220536	XAZGXDQUYNDSMI-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@@H]1CCCC(C)(C)C1	2049497221	ANTIRTWAAITMNL-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC1(C(=O)C[C@H]2CCCC3(CC3)C2)CCCC1	2049939431	BNNLBIKTNXBKSE-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCC1(C)CCC(NC[C@@H]2CCC23CCC3)CC1	2051598642	JGSBSSIWNZKMSE-FHERZECASA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCC(N)(C2=CCCCCC2)CC1	2051615703	HWMRALHPEZGSTC-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CC[C@H](N[C@H]1C=CCCC1(C)C)C1CCCCC1	2055527059	MQHWVHPPRFOPBB-HOTGVXAUSA-N	249.442	4.680	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H]2C=CCC[C@@H]2C)CC1	2055562606	DSFUYDNKPDKHTI-YVSFHVDLSA-N	249.442	4.536	0	10	BJAE	
c1cc(NC2CC(C3CC3)C2)cc(C2CCC2)c1	2056693123	DZSXZMLEUGIBNX-UHFFFAOYSA-N	241.378	4.555	0	10	BJAE	
CCC1(CC)CC(N)(C[C@H]2CC23CCCCC3)C1	2058834399	BFRKZDQCGONDOF-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H](N)[C@H](C[C@H]2C=CCCCC2)CC1	2059004264	VXSVZOSHPQQPJJ-JYJNAYRXSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@](CCC2(C)CC2)(CNC2CC2)C1	2059180198	IPCRMYVJYLFLIP-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC=C(C2(N)CCC3(CCCC3)CC2)CC1	2060913775	NFMRPQBXTSYUKR-CQSZACIVSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@H](N)C2CCCCC2)CC1	2061094026	CFUZGGAEBBLZSU-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
O=C(CCC1CC(=C2CCC2)C1)c1ccccc1	2061697217	YNZNVWCDNLIWEL-UHFFFAOYSA-N	240.346	4.540	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C2CC(=C3CCC3)C2)C[C@H]1C	2061731768	WRMAFMDHNBVPMA-BZPMIXESSA-N	246.394	4.518	0	10	BJAE	
CC=CCCCN[C@@H]1CC[C@H](C)c2ccccc21	2062365448	JJEMTQQIRNKINL-WMLDXEAASA-N	243.394	4.571	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@H]1C1CCC2(CC1)CC2	2062819841	QXUNAYHEOJCHBK-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
NC[C@H](CC12CCC(CC1)C2)C1CCCCCC1	2065330169	YWLDBJBJJYRSFP-WIHSUSGWSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@@H](CC23CCC(CC2)CC3)C1	2065339949	QQLBKSMARHVLLV-LQWAEYHHSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](CC2CCC3(CC2)CC3)N1	2066375963	PQIVDZRSSOXEMW-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H]1CN[C@@H]1CCCCC12CCCC2	2068241508	DDEUNODRBMCREX-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCC12CCCCC2)[C@H]1CCC1(C)C	2068350644	GOYMZJLWIKKBMY-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)c1ccccc1C(C)(C)C	2068822732	LZUMHUWAXQKNNQ-CJNGLKHVSA-N	247.426	4.666	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@H]1CC12CCC2	2069191410	YGEAQEIGSQFPOY-CYBMUJFWSA-N	242.362	4.573	0	10	BJAE	
CCCC1(C[C@]2(CN)CCCCC23CC3)CCC1	2069344016	GDQPYRWRGMRVAA-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C[C@@]23CCC[C@H]2C3)C1	2070968916	XOMAVIMIVZRVIU-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CC[C@H]2C[C@H]2CC1	2072424611	LAXYVHKDSHGXML-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@H]3C[C@@H]3C2)CC1	2072800951	JHVHTNHZATVITD-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC[C@@]2(C)C=CCC2)CC1	2072801871	RQPCQTCVVXWYAF-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@]12CCCC[C@@H]1C2	2074030394	SWNOGPJZDOXOSD-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@]12CCCC[C@@H]1C2	2074092886	AJDWHWQHKIURAD-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CCCC1(C[C@@H](O)c2ccc(C(C)C)cc2)CC1	2074618192	CRSRGJBKEOXBKC-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1c(C)cccc1F	2075980945	MVMGHDPEJMFCLT-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
CC=C(CC)[C@H](C[C@@H](C)c1ccccc1)NCC	2077197637	SKTGFXAWTKTKMX-PBHICJAKSA-N	245.410	4.515	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2C[C@H]2C2CCC2)CC1	2079329330	RBQLBKABQBYXNS-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](C[C@H]1CCC=CCCC1)NC	2079441271	WJESRHVBFUPMFL-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
Fc1ccc(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)cc1	2081140940	MZYVKGSGWZRICO-VBNZEHGJSA-N	247.357	4.597	0	10	BJAE	
CCCC1(C[C@H](N)c2cc(C)cc(C)c2C)CC1	2082926026	QGUFWFWDVUGODF-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CC(C)(C)[C@H](N)CCC1CC2(C1)CC1(CCC1)C2	2083613767	QFPZJVAFCJGNDN-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N(C)[C@@H]2C=CCCCCC2)C1	2085291117	NSARPPKXMKEMDV-BRWVUGGUSA-N	249.442	4.632	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1cc(C)ccc1C	2086043033	BQOWBQFNSVGLGT-DYVFJYSZSA-N	248.410	4.943	0	10	BJAE	
CC[C@H](C)CC(=O)c1oc2ccc(C)cc2c1C	2086604342	VFNKNIBSMMMFIJ-JTQLQIEISA-N	244.334	4.669	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)CCCC(C)C	2212597960	RPVCHRSRYFPOQD-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(N)c(-c2cc(C)c(Cl)c(C)c2)c1	2212874172	XUHGTTMUVRKASR-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CN(CCCCCCC1CC1)C1(C)CCCC1	2213582731	KXTYVAAKAZIYOW-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](O)(CCCCC2CC2)C1	2214562806	LDXNUCWCNJDMSC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)NCC1(C)CC2(CCC2)C1	2215320012	SVZXTRCFVWLHOY-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCN(CCCC)CC1(C)CC(C)(C)C1	2215439459	HEPAWGFUVQZZCD-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](C)CC1(CN[C@@H](C)CC)CC(C)C1	2217154214	RRXXOLCDXODAFN-UIDBIOKJSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218352190	VNTZPNLEOVRVJW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218376102	YLQARZTXPASVPN-YXWQFLTLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1CCC(C2CC2)CC1	2218897480	WSDHTSRPALIOHK-LHUBUQBQSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C[C@@H]1CC[C@@H]1C)c1ccc(C(C)C)cc1	2220557275	GVXYNGWJAUEMMH-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
CC1(C[C@H]2CCCC(C)(C)C2=O)CC2(CCC2)C1	2221083899	NUTKBTRHUSZSII-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@@H](CNC[C@@H]2CCCC(C)(C)C2)CC1	2221631723	OEAUXBZDTKLGSM-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC1=CC[C@](CNC(C)C)([C@@H]2CCC2(C)C)CC1	2221666258	XQOHTFBGDOFYRY-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1C=CCCCC1	2244787095	ZFKNGJFEQHPHBQ-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)CC1CC1	2244835612	FXZYNFKKVJJIEA-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)c1csc(C)c1C	2246379351	WOLLIUJSFDPMJG-YGRLFVJLSA-N	248.391	4.540	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC[C@@H]1CCC[C@H](C)C1	2246656199	JQOKQFCVJBBJJI-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC[C@@H]1CCCC12CC2	2247645293	KISWEGSRVPIDOU-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](NCC)c1cc(C)c2sccc2c1	2248578571	NMLLRCVHHWCEBW-CQSZACIVSA-N	247.407	4.660	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H](C)C1CCCCC1	2250362727	WXLUMXWULAFQMG-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)C1CCC(CC)CC1	2250367263	PEXGRKQMZZHDEQ-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(F)cc1CC	2250387644	QRVPNCQIGHVOFO-GFCCVEGCSA-N	237.362	4.626	0	10	BJAE	
CCC(CC)(CC)NC[C@@]12CCCC[C@@H]1CC2	2251157976	LGWOVJFKDZETQD-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)C[C@H](N)CC1CC(CC(C)(C)C)C1	2251491696	IFYBJLZSFXJNQM-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1ccc2ccsc2c1	2253058717	DLCVMKRYSGQEAJ-ZFWWWQNUSA-N	247.407	4.583	0	10	BJAE	
CC(C)[C@H]1CC[C@](N)(CC2CC3(CCCC3)C2)C1	2254105741	HAKSEEQTRZVBFG-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
C1CCCCN(CC2CC3(CCCC3)C2)CCC1	2254122116	FIIXMCWHQAYCSO-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CCCC[C@H]2C[C@@H]2C)C1	2254587806	RAIBVOGDPXRBBV-JVNPIMRCSA-N	249.442	4.523	0	10	BJAE	
CC1CCC([C@@H](C)N(C)CC2=CCCCC2)CC1	2255058101	LNLJCPWWZHUXGX-ISXOHVOVSA-N	249.442	4.633	0	10	BJAE	
N[C@]1(CC2=CCCCC2)CCC[C@@H]2CCCC[C@H]21	2255142166	AGEHHIBNLOHJPD-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@H]1CCCC12CC2	2257241090	NFXVFXUFSVUDKV-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@H]1CC12CCCC2	2257302728	KIDIOLFUCLTUOJ-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@@H]1C)[C@H]1CC=CCC1	2257303102	LGRNMOGODHJNNF-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NCCCCC[C@H]1C[C@H]1C)c1ccccc1	2257338611	HZCDNAOPXBORAL-INMHGKMJSA-N	245.410	4.554	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)cc(C)c1C	2258234745	DKCSANMSCTVRDC-XHBSWPGZSA-N	245.410	4.848	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@]23CCC[C@H]2CC3)C1	2260545059	NDMLGDDYHSWVAF-VSUJBEPISA-N	248.410	4.598	0	10	BJAE	
CCC1(NC[C@@]23CCCC[C@H]2CC3)CCCCC1	2260593582	XRDRWGQJZLPKMM-HOTGVXAUSA-N	249.442	4.659	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CC[C@@]12CCC[C@@H]1C2	2300469864	WFRMQIFMFCEZBM-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@@H]1C=CCCC1	2300675617	GVQYKCLMQNDYTN-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC[C@H](N)c1ccc(C)c(C)c1	2300681270	NDOODSLOHARJBX-INIZCTEOSA-N	233.399	4.520	0	10	BJAE	
C[C@@H]1C[C@H]1[C@@H](C)Nc1cc(C2CC2)ccc1Cl	2300695968	YFZSINYZFPLJPW-GIPNMCIBSA-N	249.785	4.674	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CCCCC12CC2	2300703492	GVDMLXVSGHDFHK-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@H](O)C1)CCCC(C)C	2300864648	CZXUJHYSGNCDSU-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H](CC(C)C)C(C)C	2300896950	NVPWXNXZYYKBCR-CVEARBPZSA-N	239.447	4.639	0	10	BJAE	
CCCCCCC(=O)CC[C@@H]1CC[C@@H]1C1CC1	2303158825	NZHOBHHWGOCEIQ-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC[C@@H]1CC[C@H]1C(C)(C)C)NCC	2303469076	FBHPESQAUVUCRV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@@H](CC[C@@H](N)c2cccs2)CC1	2303524024	LYBLMUJSONOADC-ZIAGYGMSSA-N	249.423	4.665	0	10	BJAE	
CC1=C(C)C[C@@H](CCCCNCC(C)C)CC1	2303575925	QQZKCQSIAGYRNX-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@@H]1CCC(C)=C(C)C1	2303584569	QWAJFVVYBNKQQV-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC[C@](O)(CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304361653	XEERPKWCXXMHFH-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
Cc1sccc1OCc1ccc(C2CC2)cc1	2307202767	RWSWULWJSROQQK-UHFFFAOYSA-N	244.359	4.513	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc([C@@H]2CCCCC23CC3)n1	2307696917	VBDWHXWGQYLNPG-UTUOFQBUSA-N	247.407	4.704	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)C1CC=CC1	2307816582	GMPPIYUPNMBSQR-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	2308262552	XGRWCDJMHRGXLR-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C1CCC[C@H]2[C@@H](CC1)C[C@H]2NCCCCC1CC1	2309184447	GULQGRHFQLTSEQ-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@H]1C[C@@H]2CCCCCC[C@@H]21)C1(C)CCC1	2309528478	WUWIMNLINGGILV-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC[C@@]23CCC[C@@H]2C3)CC1	2310388395	XIKMNPONUMKXHJ-HZMVEIRTSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](C[C@H]1CCC=CCCC1)NC	2310970633	BQSMSANXZRWBMV-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@H]2CCC[C@H]3C[C@H]32)c1	2311331199	CYNHIHTTWSQGDX-LXZKKBNFSA-N	241.378	4.555	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2C[C@H]2C2CCCC2)C=CCCC1	2311609408	YVHUBXNWHKPWFD-YQQAZPJKSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)C[C@H]1CCCCC12CC2	2312661966	CXGUNFLIPJXLDT-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@]12CCCC[C@@H]1CC2)C1CCC(N)CC1	2313344749	XGPSMYBQAUQOOK-VMNICZJSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCCN1CC[C@H]1CCCC12CC2	2313615788	YXOSXTOCSJRJIP-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)c1ccc(C)c(CC)c1	2314697623	QLBWPOIAIACFCC-CXAGYDPISA-N	247.426	4.644	0	10	BJAE	
CC(=CCN[C@@H]1CCC[C@@H]2C[C@@H]21)CCCC(C)C	2316489022	FWVAKEUXWKUBDM-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2316501703	GOUYAQJODMGWFL-JKSUJKDBSA-N	248.410	4.908	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317039134	AUFYRJNVHLAMRT-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@@H](C)C(C)C)c1ccc(C)cc1	2317629216	GMLPZLZHGCAXKT-ZOBUZTSGSA-N	247.426	4.716	0	10	BJAE	
FC(F)CCc1ccc2oc3ccccc3c2c1	2318474788	QDWMYFZEIMLTNH-UHFFFAOYSA-N	246.256	4.784	0	10	BJAE	
C1=C(CCCN[C@@H]2CCC3(CCC3)C2)CCCC1	2318530824	FGXPLZREQRPQPV-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
O=C(CCCC1=CCCCC1)C12CCC(CC1)C2	2318594080	BNHWKNFPYRFFRZ-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
C[C@H](CC[C@@H]1CC[C@@H]1C1CC1)c1ccc(N)cc1	2319752582	YVDXYUPFWYYCGR-MRRJBJDNSA-N	243.394	4.589	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1[C@H](N)C[C@@H]1C=CCCCC1	2320218434	XVABSMSMSPUROZ-KLHDSHLOSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@](CN)(C[C@H]2CCC[C@@H](C)C2)CC1	2320267311	DLMOWNYRCOJUBD-COXVUDFISA-N	249.442	4.668	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC(C)=C(C)C2)CCC[C@@H]1C	2320326616	GQOHGBURQGUKDM-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CC[C@@H](C)CCC2=O)CC1	2320349129	XASKEJNVNPIIIZ-WQVCFCJDSA-N	248.410	4.908	0	10	BJAE	
CCC[C@@H]1CNCCC1=CC[C@@H]1CCC(C)(C)C1	2321634623	UCUVKOGNAUJYPD-GDBMZVCRSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC(CC[C@H]2CCC(C)(C)C2)=C[C@@H](N)C1	2321650291	SQUTZYGOMJEKIZ-DZGCQCFKSA-N	249.442	4.667	0	10	BJAE	
CCCC1(CNc2cccc(C(C)C)c2F)CC1	2327778610	RRYQWQUOWVRSHE-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cc(F)ccc2N)c1	2327794795	MXDZQCFXWOWCHL-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1coc2ccccc12	2328273521	CNMMRARSKWUGPF-SWLSCSKDSA-N	245.366	4.649	0	10	BJAE	
CC(C)COc1ccc(Oc2ccccc2)cc1	3205583	SZDAWZRSXIWWHD-UHFFFAOYSA-N	242.318	4.514	0	10	BJAE	
CC(=O)c1ccc2c3c(cccc13)-c1ccccc1-2	34333383	VRBKNGFFXDQSLU-UHFFFAOYSA-N	244.293	4.690	0	10	BJAE	
CCC[C@@H](N)c1ccc(-c2ccc(C)cc2)s1	36927537	GBLZXTNDUCDYQM-CYBMUJFWSA-N	245.391	4.523	0	10	BJAE	
CC[C@@H](O)c1ccc(-c2ccccc2C(C)C)o1	54107411	WIJWCTVLQXKDEL-CQSZACIVSA-N	244.334	4.513	0	10	BJAE	
CCSc1ccccc1NCCC(C)(C)C	71104718	MKOJJKGBTXIZLD-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
C[C@@H](c1c(Cl)cccc1Cl)C(F)(F)F	75839682	WBBASJFGJQHDQT-YFKPBYRVSA-N	243.055	4.659	0	10	BJAE	
CCC1CCC([C@@H](N)c2ccc(C)cc2C)CC1	87934294	UYMNTSHBSYOGHR-VMBOVVBDSA-N	245.410	4.520	0	10	BJAE	
CCCC1CCC([C@H](N)c2ccccc2C)CC1	87962635	FPCRFRYHFXSAAS-DQPZFDDXSA-N	245.410	4.601	0	10	BJAE	
CCCC[C@@H](O)c1ccc(Cl)c2ccccc12	93656974	DLRSSMXKOJBNIW-OAHLLOKOSA-N	248.753	4.717	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCCCC1(C)C	94284564	NTCVIKFIYOXAMT-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CCCCC1=C1CCc2cc(N)ccc21	94338509	MWTGITXAGYYHNL-LBPRGKRZSA-N	241.378	4.569	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1CCC[C@H](C)C1	109733764	AKPVOUKIENGTCX-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](O)c1ccc(CCCC)cc1	109787342	ONALZCAYGKHEGO-INIZCTEOSA-N	234.383	4.643	0	10	BJAE	
CC[C@@H](C)CC1(CN)CCC(C(C)(C)C)CC1	110193886	RNQDHTIZGDUGIK-VQCLRJIVSA-N	239.447	4.604	0	10	BJAE	
CCC(CC)[C@H](C)NCC[C@@H](C)c1ccccc1	111666733	RWFLGFSUHUCASV-CABCVRRESA-N	247.426	4.595	0	10	BJAE	
CCNC/C(=C/C(CC)CC)C1CCCCC1	125539295	XHRWIACJZXHUSQ-VBKFSLOCSA-N	237.431	4.539	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1cc(C)sc1C	132911877	IBTWNPAVBZATOU-CQSZACIVSA-N	239.428	4.581	0	10	BJAE	
C=Cc1ccc(-c2ccccc2)c(Cl)c1	143949093	HPRRJNMEADXDNI-UHFFFAOYSA-N	214.695	4.650	0	10	BJAE	
CCCCC[C@@H]1CCCCC[C@H]1CNC(C)C	157877675	GUGQCJUZHMNDBG-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(C2CCCCCC2)C1	167674119	CHACXSYMDZKPNV-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(OCc2cccc(Cl)c2)c1C	217402658	DYDNNECLHWHOHR-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1CCCCCC1	229145987	ZMENNHJCTHNAJI-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC)[C@@H](C)c1ccccc1	233131660	JRMOVVOTNWXOHC-ZOBUZTSGSA-N	247.426	4.595	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC2(CC)CC2)CC1	233305438	SJJAGKIFCFMOKY-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
N[C@@H](CCC1CCCC1)C1=CCCCCCC1	236295224	MTOWTOSRPBTDDM-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
C/C=C/C[C@H](CC)c1ccc(CC)s1	238281824	WYMORJKNQUXJHP-ZPMKCOPCSA-N	208.370	4.770	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H]1CCCC[C@H]1CC	250403233	JHBNTESBHLVVCH-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCCC2(C)C)CC1	251596618	CWXCXTJLRZTUAR-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CN[C@H]2CCCC(C)(C)C2)C1	300078104	HUUKWSPNAIZXOV-IMJJTQAJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C)CCCCC1CCCCC1	300785465	SESMYAKJEAMEMP-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CCC(C)(C)C	300963108	YSGGMUJPVZVNJL-KGLIPLIRSA-N	228.420	4.780	0	10	BJAE	
CCc1ccc(N[C@H]2CC(C)(C)C[C@H]2C)cc1C	302362916	YIBYBVSERIJKHN-CJNGLKHVSA-N	245.410	4.794	0	10	BJAE	
CC(C)C(C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)C	304402780	OJHCEGAOHNOXGT-WDNDVIMCSA-N	238.415	4.556	0	10	BJAE	
CCOc1cc(Cl)cc2scc(Cl)c12	307402433	AQXMBNMCNHVJQQ-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1(CC)CCC1	308056296	PEWRRSFDATXJEQ-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@H]1CC1(C)CCCC1	311122781	HLEFXSZXSSMVSO-CJNGLKHVSA-N	243.394	4.630	0	10	BJAE	
CC[C@H](C)c1csc(C2(C)CCCCC2)n1	312933113	MRVGYPQWMWUXAQ-NSHDSACASA-N	237.412	4.878	0	10	BJAE	
CCNC[C@@]1(CCCC(C)(C)C)CC=CCC1	317916005	RYJJTXITAJCXOW-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@@H]1CCC[C@H](C)C1	318303460	NCTHVZKXKXHGBQ-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@H](C)[C@@H](C)CC)C1(C)CCCCC1	318924599	TXUCDQJHHLTVHY-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCNCC1([C@@H](C)[C@H](C)CC)CCCCCC1	319814188	PPIZMQDNRNTKIM-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C1(CC(C)C)CCCC1	319990734	KSHKSAVBXIBGMX-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H]1CC[C@H](CC)CC1	328384298	ZXGLFQYGGVRVSX-MGPQQGTHSA-N	224.388	4.598	0	10	BJAE	
CN[C@@H](CCC(C)C)c1ccccc1C(C)C	379992005	UFYREFWMMGTEKI-INIZCTEOSA-N	233.399	4.507	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1)C1(CCC)CC1	380662053	AVWWHNPRZFCPQL-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCN[C@H](c1ccc(CC)cc1)[C@H](C)CC(C)C	381066844	YYMZKAQMCCPFMP-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
Cc1ccsc1[C@@H](O)CCCCCC(C)C	383133016	KYJALZACPCUGGV-ZDUSSCGKSA-N	240.412	4.696	0	10	BJAE	
Cc1ccc([C@H](N)CCCCCC(C)C)cc1	383261505	LXBPCZORZKPDDO-MRXNPFEDSA-N	233.399	4.601	0	10	BJAE	
CCC(CC)[C@@H](CCCCCC(C)C)NC	383311023	VUGPGIJXHGGQHH-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)C[C@H](C)c1ccccc1	384736293	KQEOWLVUHHZPRS-HRCADAONSA-N	247.426	4.595	0	10	BJAE	
CCC(C)(C)CNCCCCCCC(C)C	394607834	QPPYYNQHMGRGKU-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCCN[C@@H](C)[C@H](C)CCCCCC(C)C	394773083	VHFKVMUKULMYCA-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Cc1csc2cc(C(F)(F)F)c(S)cc12	396294929	FTBDUBITQULYLT-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCc1csc2cc(C)cc(C(F)(F)F)c12	396308287	RYQCTWQJLUKHDL-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC[C@@H](Nc1c(C)cc(C)cc1C)[C@H]1CC1(C)C	397622824	LTAYLPGAYNJSQP-HUUCEWRRSA-N	245.410	4.848	0	10	BJAE	
Cc1cc(Cl)ccc1OC[C@H](C)CC(C)C	400884451	YNLPKYOWAPNUKW-LLVKDONJSA-N	240.774	4.709	0	10	BJAE	
CC/C(=C\[C@@H]1CCCC[C@H]1CC)CNC(C)C	401741852	JPWVZTNKPCSUJV-MEDRYPNSSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCC(C)(C)C2CC2)c1	405717958	GXCXMXWYUHIGQC-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CCC(C)(C)C1CC1	405759062	VDPZXCAXRRDYSI-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CC(C)c1cccc([C@@]2(N)CCC[C@@H](C)CC2)c1	688911276	CENLKHYLROXATQ-RHSMWYFYSA-N	245.410	4.564	0	10	BJAE	
CC(C)=CCCC(=O)c1cccc(C(C)(C)C)c1	697851183	QXZPHTBPIVCGSN-UHFFFAOYSA-N	244.378	4.913	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)C(C)(CC)CC	701132399	GXIXTSPUJAIXFV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC12CCCC2	705076660	GFZVYGPFDCVIEE-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@]2(C)CC2(C)C)CC1	705325333	HXYZYGFGOVTCPV-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(=O)CC1=CCCCC1)CC(C)(C)C	709269988	BZYZUEVJUKULPM-ZDUSSCGKSA-N	236.399	4.908	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC[C@@H]1CCCC2(CC2)C1	709976200	NUAUFGBMNCGGOO-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(NCCCCCC(C)C)cs1	710686379	KBJLRGISCVAFLU-UHFFFAOYSA-N	225.401	4.685	0	10	BJAE	
CC[C@@H](C[C@H](NC)c1ccc(C)cc1)C(C)(C)C	711055708	VBFLOPSIQWXCIV-HOTGVXAUSA-N	247.426	4.718	0	10	BJAE	
Cc1cccc(N[C@@H]2CC(C)(C)CC[C@@H]2C)c1C	713058448	IXTZYBQNDZJCNO-XJKSGUPXSA-N	245.410	4.930	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CC(C)(C)CC[C@@H]1C	713064136	HQSKLBBOSDRUHB-SWLSCSKDSA-N	249.373	4.761	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)C[C@@H](C)C(C)(C)C	713077180	HSQYFZVGFUFGFZ-WOSRLPQWSA-N	239.447	4.602	0	10	BJAE	
CSc1ccc(NCC(C)(C)C(C)C)cc1	713133214	XRPGZBBIQBRCMG-UHFFFAOYSA-N	237.412	4.503	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CCCCC[C@H]1C(C)C	713263050	GVKIHIBEGZBLBV-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)[C@@H]1CCCCC1(C)C	713761690	JGCBYRWQLRYEOB-FLELRFNZSA-N	249.442	4.703	0	10	BJAE	
C1CCCC(N[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1	714305252	SDXFEHMSEFZUGK-HYVNUMGLSA-N	249.442	4.658	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CC2CCC1CC2	718719458	FITUZLHIZKPAMR-NRXISQOPSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H]1CCCCCC1(C)C	719289948	VXZSAMGGZPDJDE-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
Clc1ccc(-c2ccc3cccnc3c2)cc1	725429878	XXVIOECEYDSHGJ-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1CCCC[C@@H]1C	1560478800	KNBHRCQDKIHJCX-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCC[C@H](C(C)C)C1	1651487313	YNGJHTMNDIGHML-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
Cc1sccc1-c1cccc(F)c1Cl	1889536636	XHBFCAUJZFJFGO-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CCCC(C)(C)C	1902190034	QEHFHCGBIXIGJR-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1c1csc([C@H]2CCC[C@@H](C)C2)n1	1905268940	ZXMWDJCMYUNBKJ-RHYQMDGZSA-N	235.396	4.560	0	10	BJAE	
CCC[C@@H](CC)COc1cc(C)cc(C)c1	1905291668	FSAJFDOVMFHPTH-CQSZACIVSA-N	220.356	4.509	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C(C)(C)C(C)(C)C	1905447939	XMTKYSWNBGUYAP-QWHCGFSZSA-N	228.420	4.636	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCC[C@@H]2CC[C@@H]21	1907048978	DZFFORFKUZQUNK-OSAQELSMSA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H]1CCCCCCCC1=O	1908544599	HRBACHZVNTWDHN-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCC[C@H]2C(C)C)CC1	1909968006	NAMTVFNEIPDREZ-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](N)CCC1CCCCC1	1910743168	NXLOPAYJPRCHIQ-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(C)cc1F	1911850818	MZFDKAANCPRRGX-GFCCVEGCSA-N	206.304	4.594	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C2CC3(CCCC3)C2)C1	1912604171	JAAURGPVFUXKEU-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)C1CC2(CCCCC2)C1	1912630474	KMCJNWGJSAWDMO-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)CCC2(CCCC2)C1	1916446505	YHOVDUZEFYWXHB-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@](C)(N)c1ccc(CC(C)C)cc1	1920477591	GOVXPKQKWLYNIK-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H](C)C1CCCC1	1924085035	APASUHSZOGHSKW-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@H](C)C1CCCC1)CC(C)(C)C	1924115070	FLPKPUFGLKYWSV-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@H]1CC1(C)C	1925928859	ZJWPUJRCQRSFIK-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CC[C@H]1C=CCC1)CC(F)(F)F	1932591902	DQDFYWGDRGMKBM-JTQLQIEISA-N	220.278	4.711	0	10	BJAE	
Fc1cccc(C[C@H]2C=CCCCC2)c1Cl	1939327855	CFJNEVXLDMTQGC-NSHDSACASA-N	238.733	4.768	0	10	BJAE	
Cc1cccc(N[C@@H](C)C(C(C)C)C(C)C)c1	1940247474	BEAUAOKGROJIAI-AWEZNQCLSA-N	233.399	4.724	0	10	BJAE	
CCCC[C@H](C)C(=O)CC[C@@H]1CCCC1(F)F	1940732008	VNPMDDWQVUWKGJ-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCCCC1(C)CC1	1940845412	GOXCCYDSUWSPHQ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC1([C@H](O)CCC[C@@H]2CC2(C)C)CCC1	1940876019	KTRYINDZVJAMGY-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(=CCC1CCCCC1)c1ccc(N)cc1	1940965123	FMQHOGGKQGZVRH-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CCCCCC2CC2)CC1	1941575506	NQBIYEWTUKJPQT-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CCCC1(C)CC1	1941687406	KBMRRSKZNWRSEN-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)C(C)(C)C(C)C	1944668118	KHBKMURBTSAXRK-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CCC(C)(C)C2)C1	1945584169	RGIPTVLDGNHXKI-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H]1CCC(C)(C)C1	1945592212	MDJNPZVEMWETNE-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H]1CCC(C)(C)C1	1945598293	LUOVJTKXZVWPGT-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)C1=CCCCCCC1	1947516781	WFWWFWLGBTWIMD-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCCCC12CCC2	1947877944	CGIBJEFLJGPRKO-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H]1CCCCC12CCC2	1947878850	MGIUFONFSOYEKZ-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCCC12CCC2	1947882376	YIRUVPRCNJJROY-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
CCCC(CCC)N[C@H]1CC[C@H](C(C)C)CC1	1948429922	TYIYPGCOARCASA-KOMQPUFPSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CCCC(C)(C)C	1948979532	PQYYDBHXSSVKDG-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2(CC)CCC2)CC1	1948981376	QUFZMHIHPZCGEN-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCCCC1(C)C)C1CCC1	1949035715	XOYBHTKYVRBYMS-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)CC1CCCCC1	1949045768	VFTZWLZMVTXNCC-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](N)C1(C)CCCCCC1	1949061128	WFGSTHKGSXVQFT-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CCC(C)(C)C1)C(C)C	1949551234	JAFNADQXUYFFMU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@@H](CC)C1)C(C)(C)C	1949824782	DPALJKBUUGTSCU-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1CCC2(CC2)C1	1950286046	FIGWUJYKMOIZIX-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C1(CC)CCC1	1951240230	YKAXJDOAQCRIAW-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCCN1CCCC[C@H]1c1ccco1	1964148850	OSMBVKKWMXOMME-AWEZNQCLSA-N	249.398	4.633	0	10	BJAE	
C[C@H](CN(C)CCCCCC1CC1)C(C)(C)C	1966440838	FCVXWWVUUMIXFE-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CCC23CCC3)cc1	1968275295	IIINBGCRXPYIOM-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
CC1(C)CCCC[C@@H]1CN[C@H]1CCCC2(CC2)C1	1970086553	QYDDTWFDULRTNI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CCC(N[C@H]2CCCCC23CC3)CC1	1972725483	NYVBKVVBLPPVSC-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CN[C@@H](C)c1ccc(C)c(C)c1)C(C)C	1973385939	NJTDLQFHADKYRY-HOTGVXAUSA-N	247.426	4.636	0	10	BJAE	
CC=CCCCC(=O)c1cscc1C(F)F	1984589576	RLULSZGHUNMUOQ-UHFFFAOYSA-N	244.306	4.615	0	10	BJAE	
CCCC1(C[C@@H](N)CC(CC)CC)CCC1	1988461412	JNHNIPQCTYMYAM-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](O)(CC)CCC1CCCC1	1990091854	RVVOIPMCTOQLKY-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H](C)C1CCC(C)(C)CC1	1996553855	QLNFEPWDVJXOBB-MELADBBJSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)CN[C@@H](CC)C1CCC(C)(C)CC1	1996595292	UTMIVVLEWPKGCF-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C1(C)CC=CC1	1997542841	BJHCYOMQCFFRIG-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](c1ccsc1)[C@]1(C)CC=CCC1	1997546965	RSWRBPFJONEYEY-LSDHHAIUSA-N	249.423	4.535	0	10	BJAE	
CCCNCC[C@H](C)C[C@@H]1CCC=CCCC1	1999996143	MCQPLOUVGVGOHM-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCC1([C@H](CCC2CCC2)NCC)CCC1	2000381974	JXKVUJVHARTSAO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@H]1CCC[C@H](C)C1	2000516706	YBDVQFSGSXIPCC-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@@H]1CC12CCCC2	2001254705	KMRCXJXDOQFIHN-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC(O)(CCC)CC1[C@H]2CCCCC[C@H]12	2002197069	ASIBBBKMATVGMJ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](O)CCCC2(C)CC2)C1	2002984916	PUGRZBJWPOKTRV-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](O)C=C(C)C)CC1	2003097679	BTBFCTHQMGTNBU-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)CC2(C)CCCC2)C1	2003184074	GLHQZPOSOGZBAB-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H](O)[C@H]1CCCCC12CCC2	2005600827	OQCKFJBQVKUYKT-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCC[C@@H]1F)CC(C)(C)C	2006738637	KZSGSJODPMLKJW-AGIUHOORSA-N	242.378	4.546	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](C=C1CCCCC1)NC	2007939132	DYUFXPHFBMXFKB-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C=C1CCCCC1	2007966292	CSWVZTJBPSLFDP-JKSUJKDBSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@H](CC)C(C)C	2009551064	DQFVWDGFHORZMJ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1ccc2sccc2c1	2009593750	QZMZEIVHXLDYTC-BAABZTOOSA-N	246.375	4.681	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1(C)CCCCC1	2009598963	ULAUJRXKWQMWSS-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@H]1CCCC[C@@H]1CNCCC	2009611435	LPMMYXFIGOOCNB-KADIJHKTSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@]1(CNCCC)CC[C@@H](C)C1	2009631081	ZYJORSVIIGWRNV-ZOESHWHXSA-N	237.431	4.539	0	10	BJAE	
CC=CCCC[C@H](C[C@@H](CC)C(C)(C)C)NC	2009635130	LJSTYGDENKSKAX-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)CC2CCC2)C1	2009712015	GZGGQDOMQZKUSS-JEYLPNPQSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC12CCC(CC1)C2	2012796894	LHYZZRZNVCTKKH-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1CC(C)=C[C@H](C)C1	2013528733	NSMHZGPVTZJABQ-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C[C@H]1C=CCCCC1	2016136669	MQIDHWVEXNYPRS-JKSUJKDBSA-N	236.399	4.620	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H]1C[C@H]1CC)NCCC	2016846238	BAZDKYGERNQHGH-BKBYIFCJSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)C1(C(C)(C)C)CCC1	2017137348	VSKRKIIQXBBBFU-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@H](O)C2(C(C)(C)C)CCC2)CCCC1	2017159598	YSCRAZWAZWVNFS-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CCC=C(C)C)CC1	2017661625	DMDGUPXTIXCSSI-SHTZXODSSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1CC[C@H](C)CC1)NC	2017721330	ANJWJPXBVASDFH-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CC(=O)C2(CC)CCC2)CC1	2017774987	VYSIFNAQHLEORG-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCCC1(F)F	2018133257	CCMRPYXTJGAREK-STQMWFEESA-N	247.373	4.513	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@@H]1CCC)C(C)(C)C	2022496310	QLEWLJWDMOFHQE-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@H]1CCCC(C)(C)C1	2024097358	XKNZBKHEBUPXCN-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCCC1(C[C@@]2(O)CC[C@@H](C(C)C)C2)CCC1	2025573647	WXKSMMYTCJOOJA-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1CC[C@](N)(C[C@H](C)CC(C)(C)C)C1	2025621885	OFPJYMUAZZDPDR-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H](C)CC(F)F	2026075199	SXDGGUOFNMNWJS-RYUDHWBXSA-N	248.357	4.843	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1CC(C)(C)C1	2026079339	MLQUVSICGKQCBQ-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC(C)c1ccccc1CCC[C@H](O)C(C)(C)C	2027466259	ONEPGAOTEYPRQT-INIZCTEOSA-N	248.410	4.540	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC1C[C@H]2CC[C@@H]2C1	2028988649	VCTMKTSBHXKGLT-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C[C@@H]1CCCCC(=O)C1	2029173059	BJFONQGCVAUXIC-HOSILWTGSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H](O)c2ccc(C3CCCC3)cc2)CC1	2031751093	ABVBDJPRYFVTMA-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)[C@@]23CCCC[C@@H]2CCC3)C1	2031761751	VHPSQLNDFURBAQ-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccccc1C1(C)CC1	2032242457	HQHVYXQMTKXLEY-CQSZACIVSA-N	245.410	4.975	0	10	BJAE	
CC(C)(C(=O)CC1[C@@H]2CCCC[C@@H]12)C1CCCC1	2032779768	SUOXZSPZGCMIIX-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)c1	2035406271	AQWIGCPAQYLPDE-WQVCFCJDSA-N	249.373	4.617	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2C=CCCC2)CCCC1	2035553615	CQKHYKDKKFYMCG-HNNXBMFYSA-N	248.410	4.908	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)CC1CC(C)(C)C1	2037147461	XVXPRVGHSVREQT-CXAGYDPISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@](N)([C@H]2CCC3(CCCC3)C2)C1	2037587274	BAJRNEJSQTVFIZ-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
O=C(CC1=CCCCC1)[C@@H]1CCC2(CCCC2)C1	2037671059	ATFCCIADKZXDDX-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC[C@H]1CC12CCCCC2	2039058875	PXVLMMHVTIYMRY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NCCC1=CCCC1)C1CCC(C)(C)CC1	2040639030	QNDJRRILBYNLMD-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CC2)C1)C1CCC(C)(C)CC1	2040642144	SSFFXJCGKBKRFE-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCCNC2[C@H]3CCC[C@H]2CC3)CC1	2042054798	VPLILMCNZONWQC-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CNC[C@H]2CCC=CCCC2)C1	2045325485	FVKKSNQLUQCYRF-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc([C@H](O)[C@@H]2CCCC(C)(C)C2)c(C)c1	2045369086	ZCPVEZKRYANYEO-GDBMZVCRSA-N	246.394	4.553	0	10	BJAE	
C[C@H]1C[C@H]1c1ccc(C(=O)CCCC2CCC2)o1	2045562070	NNQYGIJPRCBCEI-WCQYABFASA-N	246.350	4.556	0	10	BJAE	
CCCC1(C(=O)CCCc2ccccc2)CCC1	2045568798	CYSCDBFELGGFGC-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@H]1CC12CCCCC2	2047063125	UBRBAHNLCJKEEA-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@H]1CC12CCCC2	2047063333	VNVYWNZMSOTXBR-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](C=C1CCC2(CCCN2)CC1)CC	2048949077	OXWXKKBBOSVOKO-LDCVWXEPSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1CCC2(CCCN2)CC1	2048950971	RRYHECCLMDTZRU-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C1CCCC1)C1[C@@H]2CCCCC[C@@H]12	2049214999	OTNWDIWZPUTQLF-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@@H]2CC23CCCC3)C1	2049496252	RZJMVLNQXKKASA-ZBFHGGJFSA-N	249.442	4.502	0	10	BJAE	
CCC1CCC([C@H](NC)[C@@]2(C)C=CCCC2)CC1	2049997697	PPFMHOJRVHUIID-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CC=CCC2)CCCCCCC1	2052475153	IAEQCYHFQCHBQF-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CN([C@H]1CCCC(C)(C)C1)[C@@H]1CCCC12CCC2	2053434133	OKCMGOALWCRRHX-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
Cc1cccc([C@@H](N)C2(C)CCC(C)(C)CC2)c1	2056556889	NMZLXRBPNKBYFS-OAHLLOKOSA-N	245.410	4.601	0	10	BJAE	
N[C@H](C=C1CCCCC1)C1CC2(CCCCC2)C1	2056871020	PSHCCDOYSUVYKB-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)[C@H]1CCCC(C)(C)C1	2056875470	GZOZHWHLJWRVJK-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1cc(C)cc(C)c1	2059257477	XZWRSJFRPPHOHU-QQOXCAACSA-N	245.410	4.700	0	10	BJAE	
CCCC1CC([C@H](NC)C2=CC[C@H](CC)CC2)C1	2061138154	SVFGOADDBZMOHS-VFNXUKNFSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2CC(=C3CCC3)C2)C1	2061729162	SRGDIIAEGGSNBE-CYBMUJFWSA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C1CC(=C2CCC2)C1	2061729769	ACAOGUQAWGHNIL-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](CC)c1occc1C	2063677877	MFGUTNOMWSOKTN-ILXRZTDVSA-N	249.398	4.598	0	10	BJAE	
CC(C)(C)C1CC([C@@H]2CC(=O)CC3(CCC3)C2)C1	2063712476	DHIPNUAWQVCUJE-ROKHWSDSSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)C1CC2(C1)CC(C)(C)C2	2063807055	BYSSCHBZJOMTNJ-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NC1CC2(C1)CC2(C)C	2064118181	PHSHVNZNQVKITC-UJEKJILKSA-N	249.442	4.514	0	10	BJAE	
C(CCC1CC1)CNCCC12CCC(CC1)CC2	2065260517	SFQVVJNFGXBBEF-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1cccc(C(=O)CCC23CCC(CC2)C3)c1	2065280712	YCIDBXRBQLHHBY-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2CCC3CC2C3)cc1	2069347686	NNYIGRUJHLRUHE-PSQDLTRKSA-N	243.394	4.801	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)C1(CC2CC2)CC1	2069517611	NYSCDBZFLPJCCE-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CNC1(CC2CCC2)CC1)C1CCCCC1	2069584386	BSRUTTGGZDMXRO-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@]2(C)C=CCCC2)CCC1	2071942006	ZQMZUWWIOUCJGE-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC[C@@H](C)C1CCC1)c1ccccc1	2075817703	NJTFWSYNFNEDNS-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@H]2CCC3(CC3)C2)CC1	2078342141	GAIFZXLEQBRXME-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@H]2C2CCC2)CCCCCC1	2079312443	QAOAKWFUAJEHQC-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@H]1CCCC2(CC2)C1)[C@H]1CC[C@@H](N)CC1	2082135287	BJNWHKJHGXDAEF-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](C)NCc1cc(C)cc(C)c1C	2082905252	IFAIJYXPXDRVIM-HNNXBMFYSA-N	247.426	4.670	0	10	BJAE	
C(CCC1CCC1)=C1CCCNC12CCCCC2	2083812925	VQHYKZSLKRLQGE-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCC[C@@H]1CC12CC2	2086409002	NULADMQKXARTOL-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](O)CCCCCCCCC1CC1	2212447139	XHZIWZHDIFGXOW-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CC[C@@](O)(CCCCCCC1CC1)CC1CC1	2213577473	BYJSIPUPIIOSQG-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1CCCC(=O)[C@@H]1CCCCCCC1CC1	2213577659	DRCJJXUFFYQAEN-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC[C@@H]2C[C@@H]2C)CC1	2215331542	LAZBLOIUMMHJFN-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2(C)CC(C)(C)C2)C1	2215439348	GFGVBCJXDSIQJD-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@]1(C)CC=C(C)CC1	2215809206	IJKUXSMCVALZAL-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C(C)(C)CCC	2216278570	NEDPEFFWYXZEGC-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1[C@H](C)C[C@@]1(O)CCCCCCCC1CC1	2216894352	GJZMMEZOHQHSNQ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)C/C=C/c1ccccc1	2219067325	SWJNOVPITSIKNE-MVIRQZGPSA-N	246.394	4.523	0	10	BJAE	
N[C@]1(CCCCC2CC2)CCCC12CCCCC2	2220027979	NTTVNOKYOPIKJE-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1(C)CC2(CCC2)C1	2221005433	SJLNWEJOCATNOG-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1(CC(=O)CC2CCCCC2)CC2(CCC2)C1	2221084537	VJFZUOYZOMVSKY-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CC2(C)CC(C)(C)C2)CC1	2221625519	PTQHKQZSNJIXIT-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)[C@H]2CCCC(C)(C)C2)CC1	2221640406	LZCWURGWJGHSTO-WMLDXEAASA-N	248.410	4.908	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@H]1C[C@@H]1C1CC1	2223110352	SANGISMBBKGBNY-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@@]12CCC[C@@H]1C2	2223129643	FFDKWGFNAPQSHK-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@]1(CNC1CCC1)C1CCCCC1	2223577587	PVMSOGCONGCWDF-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)CCC2(C)CC2)C1	2246656128	JJRXSNZWNLNJDQ-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@H](O)CC[C@H]1CCC[C@@H](C)C1	2246697486	XLSRXOZNTPNLLS-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCN(C)CCCC[C@H]1C[C@@H]1C	2247166177	OTHDQLVSNFGCDZ-HOCLYGCPSA-N	239.447	4.571	0	10	BJAE	
C[C@H](CCC1CC1)NC(C(C)(C)C)C(C)(C)C	2247715811	FILIITLDNGPVMA-GFCCVEGCSA-N	239.447	4.616	0	10	BJAE	
Cc1cc([C@@H](N)[C@@H](C)C(C)C)cc2ccsc12	2248555683	NQLXPXSLINQZDK-FZMZJTMJSA-N	247.407	4.502	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cc(C2CC2)ccc1F	2250120986	MTRZFYDYFIUWFD-MNOVXSKESA-N	235.346	4.550	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@]12CCC[C@@H]1CC2	2251149166	KEHPHUBKKYPUCS-LZWOXQAQSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(C(=O)C[C@]23CCC[C@H]2CC3)c(C)s1	2251163429	QLGBYSISPJGEFB-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CC[C@@H]2CCCCC23CC3)C1	2253799925	FVYLAQLLSOOTCL-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@@H]1CCC[C@H](C)C1)CC2	2253863281	KRTDZCYUNNMPNW-MAZHCROVSA-N	243.394	4.548	0	10	BJAE	
CC(=CC[C@H]1CCC[C@@H](C)C1)[C@H]1CC[C@@H](N)CC1	2254000052	BBDYLWRAFONTJC-DZUCGIPZSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C1(C2CC2)CCCC1	2254542127	DZBOXGCCUJUSOT-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@H]2C[C@H]2C)cc1C	2254589348	VGHGMFKYSDSSRK-HLLBOEOZSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)[C@@H]1CCCC2(CC2)C1	2254611947	SZCYYRTXOJAUME-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CCCC2)CCC12CCC2	2254844962	AYQBHOVMDYKKTD-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)[C@@H](C)C1CCCCC1	2255098255	ATZKBHDQQDVPIW-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC[C@@H]1CCCC12CC2	2255232565	GDPPKAKBOMIAFV-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C=C=CC[C@H](CCCCC[C@H]1C[C@H]1C)NCCC	2257238605	DKEOZUHOXXKVIU-IXDOHACOSA-N	249.442	4.692	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1C[C@@H]1c1ccccc1	2259445224	ADYQKVMNCXMHHO-CWRNSKLLSA-N	244.378	4.576	0	10	BJAE	
C[C@H](CC(=O)[C@]12CCC[C@@H]1CC2)C1CCCCC1	2260519034	WGUNBRKBOZTLCW-UNEWFSDZSA-N	248.410	4.742	0	10	BJAE	
CC(C)(CN[C@]12CCC[C@@H]1CC2)C1CCCCC1	2260538600	TUWJBNWSPZHSOZ-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
F[C@H]1CCC[C@H]1Nc1cccc(C2CCCC2)c1	2260716406	NUHSUJZFWFLHGE-JKSUJKDBSA-N	247.357	4.647	0	10	BJAE	
C[C@@H](CC1CCC1)C1(O)CCCCCCCC1	2298855170	SWDURJKARYIZLG-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCC[C@](C)(O)[C@@H]1CC[C@@H](C)[C@H](C)C1	2300472579	RHFVGLREXNRQFA-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC[C@@]12CCC[C@H]1C2	2300473130	WFRMQIFMFCEZBM-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1CCC[C@H]1C(C)C	2300686439	QQHJJTLUDBWWDI-ARFHVFGLSA-N	239.447	4.602	0	10	BJAE	
CC(=CC[C@](C)(O)C1CCC1)CCCC(C)C	2300914394	QGVGYVQNOPLDER-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CC[C@H](CC)C1	2300922142	WOIMIGCOYQGCPP-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2CCCCCC2)C1	2301142937	OGTCYLPJZMKFQG-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC(CC[C@H]2CCCC[C@@H]2N)CC1	2302506915	KWVYVNPTNMCROE-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1c1cc(=S)c2ccccc2[nH]1	2304031353	XCRNRFHMTDBUFG-NEPJUHHUSA-N	243.375	4.657	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC(C)(C)C1)[C@@H](C)CC	2304413471	ZOTIHGMIZXPZFA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)CC[C@H]1CCC(C)(C)C1	2304439862	MTIGGWUUNZXAJP-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCN[C@H](C(C)(C)C)C1	2307822913	NUDQLYLYPJPCFS-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CN1CCC[C@](C)(CC)CC1	2307906066	BNAAIZASWBUDSF-HOTGVXAUSA-N	239.447	4.715	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(CNC(C)C)C1CC1	2307925960	KTBQAGXKBRALBO-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC[C@@]23CCC[C@@H]2C3)CC1	2310375133	PSCFFPMISYWRJY-YLFCFFPRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C[C@@]23CCCC[C@@H]2C3)CC1	2311148852	CDQSJVYTWGMMPN-YVSFHVDLSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NC(CC1CC1)CC1CC1)C1CCCCC1	2313591622	VSCYXWXUMNXQDB-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CCC1)N1CCC2(CCCCCC2)C1	2313653873	DMRSKHPNFLXARM-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](CC1CCC1)[C@]1(N)CCCC12CCCCC2	2313674029	VWWMFIHERKWMRS-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CCC1(N)CC2(C1)CC1(CCC1)C2	2316268431	JOXXPAAJFDCFJD-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCC1(CC(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316790296	IDTGRPUOXUWLJK-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316878486	OFEANQOHNOFLIL-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
NC1C[C@@H]2CCC[C@H](C1)C2CC1CCCCCC1	2316936256	APKNCQRFPRQWBQ-RYTJFDOTSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H](C)[C@@H](C)C(C)C)cc1C	2317837595	XYKILPDQVGGTGK-LSDHHAIUSA-N	246.394	4.723	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1C[C@@H]2CCC[C@@H]21	2317924471	DRCWTZCGFCAWMZ-CQDKDKBSSA-N	247.357	4.550	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@@H]1CCCC12CC2	2318595166	NBMWYOQIKKDSOH-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2318937856	DNMCQVKHQSFIRY-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CC1CC(C2CCC2)C1	2318944961	UYTYAFIAJZBNRT-JMVNKWJPSA-N	248.410	4.598	0	10	BJAE	
CC1(C(=O)CC[C@@H]2CC[C@H]2C2CC2)CCCCC1	2319736417	DUMSJGPALFWHQX-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H]1CC[C@H]1C(C)(C)C	2320201744	PYXIRVVNRHYIFS-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@]2(C)C=CCC2)c1	2327783027	XUVRTNBAKQJFBL-DLBZAZTESA-N	244.378	4.508	0	10	BJAE	
CCC[C@@H](CC)CCC[C@H](NC)c1ccccc1	2328283340	WLJPKGXGGYEAEB-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1Cl)c1ccco1	54083730	YMXJJLOIGLOPIG-LBPRGKRZSA-N	249.741	4.805	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(OC(C)C)cc1	69371478	CEBZJSPIBKNTMY-AWEZNQCLSA-N	249.398	4.855	0	10	BJAE	
CCCC[C@H](CC)Nc1cnc2ccccc2c1	69373207	DIMHJCKKJOQZHE-AWEZNQCLSA-N	242.366	4.616	0	10	BJAE	
CC(C)(C)CCNc1ccc(Cl)cc1Cl	71085596	MDQAHXKVDPKNQA-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
CCCC(CCC)Nc1ccc(F)c(C)c1	71106739	VJEGASRJROXFCD-UHFFFAOYSA-N	223.335	4.515	0	10	BJAE	
Cc1cc(C)c2nc(Cl)c(C(C)C)cc2c1	71136910	SMSTVTWYJHPKKV-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
CCCCCC(=O)c1ccc(C)c2ccccc12	79904090	BLRKHNBUDGEYBO-UHFFFAOYSA-N	240.346	4.911	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCC(C)(C)C1	79982402	WJIZKTVLBCLGHE-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCC[C@@H](C2CC2)C1	81624272	OBQQDONNEKDFGJ-UKRRQHHQSA-N	247.357	4.515	0	10	BJAE	
C[C@H](C[C@@H](O)c1ccc(Cl)s1)C(C)(C)C	82628623	GQYOOOZUUORMJY-RKDXNWHRSA-N	246.803	4.507	0	10	BJAE	
C[C@H](N[C@@H]1CCCC(C)(C)CC1)c1ccccc1	86893335	HOAQMLFZLNDUGO-GOEBONIOSA-N	245.410	4.696	0	10	BJAE	
CCCC1CCC(N[C@@H](C)C[C@H](C)CC)CC1	88296972	UTTQZWWWHNMFTH-QVOMUQBLSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCC[C@H](C)C2)cc1C	89604322	AFEFZJXISOKNEF-SWLSCSKDSA-N	231.383	4.542	0	10	BJAE	
Fc1cccc2c1[C@H](c1ccc(Cl)cc1)CC2	91356052	IXZKVGAIBVBOLT-ZDUSSCGKSA-N	246.712	4.557	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC1(C)C)c1ccccc1	94279304	NINYDOVNMPYNAO-HOTGVXAUSA-N	245.410	4.696	0	10	BJAE	
CCCCCCC(=O)c1c(C)cc(C)cc1C	97467566	AGOKQMAVNUKWSQ-UHFFFAOYSA-N	232.367	4.765	0	10	BJAE	
CCCCCN[C@@H](C)c1cc2ccccc2s1	126357552	QHTDUZUDVSTVCO-LBPRGKRZSA-N	247.407	4.742	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCC(C)(C)C[C@@H]2C)c1	155984656	MZUISKMRMDBONR-WFASDCNBSA-N	249.373	4.761	0	10	BJAE	
CCCCC[C@H](NC)c1cc2ccccc2s1	159706155	ARDCRYMTDWJFTD-ZDUSSCGKSA-N	247.407	4.742	0	10	BJAE	
CCCCC[C@@H](O)c1c(C)ccc2ccccc12	160992493	PQUFZZJVERBMRK-MRXNPFEDSA-N	242.362	4.762	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)c1ccc(C)cc1	161358735	HTQBRKFZQJVSNH-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCCC[C@H](CC)C(=O)C1CCC(CC)CC1	166186453	OBSMESGCJOWXKJ-SLTAFYQDSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCCC)C1CCCC1	167440681	MNTCKLQGFLYVRU-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](c1cccc(C2CCC2)c1)[C@H](C)CC	169085808	QBBILZFOCNRKQN-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCCCCC[C@H](NC)c1cc(C)cc(C)c1	229472880	OZDVJPAEKVUKIM-INIZCTEOSA-N	233.399	4.534	0	10	BJAE	
C1CCC(CCN[C@H]2CCC23CCCCC3)CC1	230165030	JEXMBWQXQDSCQO-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@@H]1CC[C@@H](C)[C@H](C)C1	253025025	CUWYCDDPXPDVDG-XOUADPBQSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H]1CCNc2ccccc21	300115662	JDQAXRLAXGMRBK-RBSFLKMASA-N	243.394	4.802	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C1(C)CCCCC1	300884019	OXFAYEMMRSMMCC-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@H](C)C[C@H]2C)ccc1C	302278465	INXHAJOSJZWSGH-DXCKQFNASA-N	245.410	4.794	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1cccc(CCC)c1	302447798	UVHFEUUWESWTQU-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N)[C@H](CCCC(C)(C)C)C1	305919126	LKGVOHIKORWRGM-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CSc1cc(Cl)cc2sc(Cl)cc12	306600674	UBEIUNZBWGUTEA-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)c1cc2ccccc2o1	308071030	RNGXZJZLCVDESF-WBMJQRKESA-N	245.366	4.505	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](CCCC(C)(C)C)NC	308077711	XFXCYALHVXMLAH-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)c1cc(C)ccc1C	308091942	UJWZCZBYZVPJNI-DOTOQJQBSA-N	247.426	4.766	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(N)CCCCC2(C)C)C1	310141718	NDXUTLINGSFSLS-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(CCC[C@@H](N)C(C)(C)C)CC1	310147516	OHJQGDKUHHBSSU-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](NCC(C)(C)C(C)C)c1cccc(C)c1	310634984	PVALZZONQFZTHU-MRXNPFEDSA-N	247.426	4.718	0	10	BJAE	
CCC1(C[C@@H](NC)c2ccc(C)cc2C)CCC1	310880206	WIUMNDTVOVKNBB-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@H](NC(C)C)c1ccsc1Cl	312559247	BCDAUHCAXIFXFL-NSHDSACASA-N	245.819	4.631	0	10	BJAE	
CCC[C@H](N[C@@H](C(C)C)C1CC1)c1ccccc1	324478825	BMNMSEIXRODKDW-IRXDYDNUSA-N	245.410	4.552	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CC[C@H]3CCC[C@@H]3N2)CC1	381504054	IQXOHDYCTNVNNZ-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
Clc1ccc2c(c1)N[C@H](c1cccs1)CC2	382769221	FSIDASPCZWETSH-NSHDSACASA-N	249.766	4.501	0	10	BJAE	
Cc1ccccc1[C@@](C)(N)CCCCCC(C)C	383133589	DITFLSSJYVZLMJ-KRWDZBQOSA-N	247.426	4.775	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(CCCCCC(C)C)C1	383222967	FWUPPJBBSKYDCD-HZPDHXFCSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)CC(C)(C)C	384655145	VBAOTCUUVCIDHW-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1cnc([C@@H]2CCCC[C@H]2C)s1	385099763	ZMNHROKJYHUPPY-GHMZBOCLSA-N	223.385	4.560	0	10	BJAE	
C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)C1CCC1	386020436	WZGXJAIBAYTARD-CZUORRHYSA-N	245.410	4.552	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1ccc2sccc2c1	386261611	VSCAGGPOCLDVLY-SMDDNHRTSA-N	247.407	4.727	0	10	BJAE	
CC/C(=C\C1CCC(C(C)C)CC1)CNC1CC1	393977293	SNONKDDCPKXOAQ-SDNWHVSQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)CC(C)C)C(C)(C)C	395322217	MPSFZHSOAVBDNO-ZFWWWQNUSA-N	228.420	4.636	0	10	BJAE	
CSc1ccc(F)c2scc(C(F)F)c12	396237449	JHHKERXOPCEMHA-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)CCC2CC2)CC1	398102144	IIFLFAAJTYCKCQ-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)c1ccc(NCCC2CCC2)cc1	398760679	IMHFTGVBORDYKU-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCCC[C@@H](NCCC)c1csc(C)c1C	399765542	HKSYFLYLHNCSAH-CQSZACIVSA-N	239.428	4.596	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)c1csc(C)c1	400476758	UTEDARSPVGKLKT-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)C)c1cccc(C(C)C)c1	688940495	TVPBYMPEAXYMQJ-KRWDZBQOSA-N	247.426	4.897	0	10	BJAE	
CCC(CC)Nc1cccc(-c2ccccc2)c1	689640688	URSRPFXXONYBHQ-UHFFFAOYSA-N	239.362	4.954	0	10	BJAE	
C[C@@H](Nc1cccc(C2CC2)c1)C1CCCC1	690159816	QOAPWILSXRADJB-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H]1CCC[C@H]1C	690188590	WGCVYTVIGZCSNL-CZUORRHYSA-N	245.410	4.720	0	10	BJAE	
CC(C)(C)c1cccc([C@H](O)CCC2CCC2)c1	691726456	XZOSOHIFBXDANU-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CCNC[C@]1(CC2CC=CC2)CCC[C@H](CC)C1	692155275	MCEDUMPVOCDEPP-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC[C@H](C)CC)CC1	696162766	QFOKOVWHJWMIAT-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)C(C)(C)C(C)(C)C	696551159	PPTKDYTZDGLVLP-CYBMUJFWSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@H](CNCC)C1CCCCCC1	696817457	NVLURVNTWLGYJY-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
c1ccc2cc(NC3CC4(CCC4)C3)ccc2c1	697720633	NKJWQXKJHJZKIY-UHFFFAOYSA-N	237.346	4.584	0	10	BJAE	
N[C@@]1(C2CCCCCC2)CCCC12CCCCC2	704439666	FISKFQILHZWVKQ-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCCC[C@H](CC)C[C@@](N)(CC)CCC	704868212	RKFUXNXDDBMYBN-UONOGXRCSA-N	213.409	4.501	0	10	BJAE	
C1CCCC(CN[C@@H]2CC[C@H]3CCC[C@@H]32)CCC1	707841754	GYPCBGXPEHXNSG-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@H](C)[C@@H](C)C[C@H](C)CC(C)(C)C	709085486	XMBXQMSDSGWQNZ-KKUMJFAQSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](N[C@@H](C)C(C)(C)CC)c1ccsc1	710056216	DKSPLHFMUSZLRD-AAEUAGOBSA-N	239.428	4.614	0	10	BJAE	
C[C@H](CCC[C@H](O)c1ccccc1)C(C)(C)C	710718676	MGHNYDHIDXISNY-HIFRSBDPSA-N	234.383	4.573	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@@H](C)C(C)(C)C	710744427	JJIYXRUOSKIBCG-OCCSQVGLSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](CC(C)(C)C(C)C)c1ccccc1	713143888	YODJONSNZMMMSJ-MRXNPFEDSA-N	247.426	4.800	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cccc(C(C)(C)C)c1	713265286	XYGFYQXENODHRJ-HNNXBMFYSA-N	247.426	4.810	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CC(C)(C)CC[C@H]1C	717532187	KNQGROWSLZFWRS-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
C[C@H](C[C@@H](O)CCCC1CC1)C1CCCCC1	720160951	KZBNUBMYQXFSMU-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)(C)C)C1(C)CCC1	720720646	ZJOCRRIAMGRGTQ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1cccc(C(C)(C)C)c1	723119279	KYBQQFDIQWGOMJ-OCCSQVGLSA-N	244.378	4.603	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H](C2CCCC2)C2CC2)CC1	723961184	TZWZXZVXXVMMCZ-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
COc1ccc(OC2CCCCC2)cc1C(C)C	725434929	PWBOBRLHOVMHER-UHFFFAOYSA-N	248.366	4.530	0	10	BJAE	
CCC(CC)S[C@H](C)c1ccccc1C	1652643623	CZWIKLIHXWDASO-GFCCVEGCSA-N	222.397	4.978	0	10	BJAE	
CCCCC[C@@](C)(N)CC1CCCCCC1	1901058255	KGTNYYOYKJNESC-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
C/C=C/CCCC(=O)CCC1=CCCCC1	1901689100	OHUCXVLSFNUGOG-NSCUHMNNSA-N	220.356	4.583	0	10	BJAE	
CCc1cscc1N[C@@H](CC)[C@@H]1CC1(C)C	1902380560	DGYSHWUTPAFJCN-RYUDHWBXSA-N	237.412	4.547	0	10	BJAE	
CC[C@H]1CCCC[C@H]1c1c(F)ccnc1Cl	1903370598	SEFVKGYBOVTLGY-VHSXEESVSA-N	241.737	4.558	0	10	BJAE	
CCCC[C@@](C)(O)CC[C@@H]1CCC(C)(C)C1	1903381702	BUTQXJCATFNYJV-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CC(=O)CC[C@@H]1CCC(C)(C)C1	1903412175	RVTOVSUOSIAAEH-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)(F)[C@](C)(F)CC[C@@H]1C=CCCCC1	1905309821	QGEGJBNTJCNKBW-TZMCWYRMSA-N	230.342	4.989	0	10	BJAE	
CC=CCn1c(-c2ccccc2)cc2ccccc21	1911995787	IXEYUBOGLWYFJN-UHFFFAOYSA-N	247.341	4.884	0	10	BJAE	
CC1CCC(CN[C@H]2CCC3(CCCC3)C2)CC1	1916443302	WEEPFYFCFCRJDJ-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(CCCC(C)C)C=CCCC1	1916564064	NNFGCVNEQQVFEM-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](O)(CC)c1cccc(CC(C)C)c1	1919474950	MRAOXYYMWJFCIC-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H]2CCCC23CCC3)C1	1921497075	LWUFKFWBOMNIIG-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CC(C)(CC[C@@]1(CN)CCCC12CCC2)C1CC1	1921606338	RNPDMIUTIMBJJD-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@@H](C)C1CCCCC1	1924086844	PLDUYQLEPMKUST-DOTOQJQBSA-N	249.442	4.703	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CNC)C1CCCCC1	1924104073	DYMHCRVXJYDOEM-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)[C@@H](C)C1CCCC1	1925773194	WSFLHZMSDZHQEY-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@H](CCCc2ccccc2)CCCC1	1925813675	CDYPTLYAUUOMPT-HNNXBMFYSA-N	214.352	4.756	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1C=CCCCC1)NC	1925900469	GRPXNVYOJAHNHF-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cc(Cl)sc1C	1933586837	LLBWNTPRRAATJC-LLVKDONJSA-N	245.819	4.536	0	10	BJAE	
CCCC(CCC)[C@H](N)c1cscc1CC	1938827816	UFZMMNNRHXZLFK-AWEZNQCLSA-N	239.428	4.527	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CCC1CCCCC1	1941263996	QAXMAFRWPUUEEV-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)NCC1(C2CCCCC2)CC1	1942576471	AMFBJMROHKEEFL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)[C@@H](C)CCC(C)C	1942658032	OQDDETAMBUUECO-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
Cc1cc(N[C@H]2CC(C)(C)CC3(CC3)C2)cs1	1943084013	UXDMCFJGPALVPI-ZDUSSCGKSA-N	249.423	4.827	0	10	BJAE	
CC(C)C[C@H](C)Nc1ccc(C2(C)CC2)cc1	1944598188	KKXXIGKUIPTPPF-ZDUSSCGKSA-N	231.383	4.585	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)C[C@H](C)C1CCCCC1	1944661500	UFPPBVHZMQXRPT-ZFWWWQNUSA-N	239.447	4.602	0	10	BJAE	
CC(C)C1([C@@H](N)C[C@H](C)CC(C)(C)C)CCC1	1949017691	KNLGTEWQTHLEAC-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H](C)C2CC2)CC1	1949072233	NFEJAMLUUVRFCH-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC=C[C@@H](C)Cc1c(C)cc(OCC)cc1C	1951308527	IIEKNKKSLSXBGX-CYBMUJFWSA-N	246.394	4.847	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@H]3CC[C@H]2C3)c1	1968408146	NQYPDFQGJHCBLK-UKPHBRMFSA-N	243.394	4.801	0	10	BJAE	
CCCN(CC1CCC2(CC1)CC2)C1CCCC1	1968780257	ZBORGNACYUDJFZ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H]2CC(C)C)cc1C	1972023399	SUQOLZFCPHBKHV-NVXWUHKLSA-N	245.410	4.794	0	10	BJAE	
C[C@@H]1CC[C@@H](CNc2ccccc2C2CCC2)C1	1973432272	YYJSVQMCXZLZJG-ZIAGYGMSSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C(CC)(CC)CC	1978585090	BJLBLHHCBRTIQC-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CC)c1cccs1	1980686591	FBQJRMQEJVANSA-QWHCGFSZSA-N	239.428	4.615	0	10	BJAE	
CCCCCC[C@]1(C)CCN[C@H]1CCCC	1984731278	ZILQFHOFEBSJOZ-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@@](O)(CC)CCC(C)(C)CC	1990092355	YKFXXHXBKWQTMB-HNNXBMFYSA-N	228.420	4.924	0	10	BJAE	
CCCCN(CCCC(C)(C)C)[C@H](C)CC	1990838346	GDIYCOBNSGBCDX-CQSZACIVSA-N	227.436	4.713	0	10	BJAE	
Fc1ccc(Cl)cc1C[C@H]1C=CCCCC1	1994346609	UFBZMFIJQHFNOK-NSHDSACASA-N	238.733	4.768	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)C2CCCCCCC2)C1	1996236545	HAFQUSNRYVTAEX-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H]2CCC2(C)C)CC1	1997101878	BXGJHTMIMXWSHB-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H]1CC[C@@]1(O)CCCCCC1CC1	1998745699	ZHAZUYATHYPEMX-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](O)CCC2CCCC2)C1	2000025726	XIVVPHHKVYVGFX-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](C)(C[C@H](C)CC(C)(C)C)C(=O)O	2000504440	IGENAEXOIHROFD-DOMZBBRYSA-N	242.403	4.730	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@@H]1CCC[C@H](C)C1	2000904339	FWMRESJEMOTHGQ-GOEBONIOSA-N	239.447	4.712	0	10	BJAE	
CCC1(C[C@@H]2CCCCCCC[C@H]2O)CCC1	2003119445	VKMPJAWQPCHCAC-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)CC1(C)CCC1	2003173874	ADPUGHZZUGARDP-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(=O)[C@@]1(C)C=CCC1)C1CCCCC1	2003322458	CGLYRSHAKAGSOY-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CCCC(CCC)CN[C@H](C(C)C)C1CCC1	2004718358	LGGLWVFOAPXITN-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(CCC)CCCCC12CCC2	2005563409	KGOJDKWTZPXELE-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CC[C@H]1C[C@H](NC)C[C@H](CCC(C)(C)CC)C1	2006633441	ZIRGQYNDABVKNL-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)[C@](N)(CCC2CCCCC2)CCC1	2006973351	WAQJMHKJBAVZNE-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)CCCC1CCC1	2007622521	MMJZRFCWSOAJTP-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C)(C(=O)CCCC(C)(C)C)CC1	2007683212	LQBGXBOXTCDRNJ-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC=C(C)[C@@H](CCC1CCCCC1)NCCC	2007863221	RQAPFZIVBCGOAL-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](C)[C@H](C=C1CCCCC1)NCC	2007939199	FPANQZXVNRKUNU-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CC1([C@H](N)C=C2CCCC2)CCCCCCC1	2007940159	OJSBCOIFHVORHU-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CCC1(CC)CC(N(C)C[C@H](C)C(C)(C)C)C1	2009320716	RJYXCKVFCRRHCM-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
C/C=C/CCCC1(CNCC)CCCCCC1	2009629380	QSOSTCSMGUXIMU-HWKANZROSA-N	237.431	4.683	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H](C)C1CC1)NCCC	2009636691	ZAITXXVPAZZODL-CQPIPWFBSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(O)(C2=CCCCCCC2)C1	2009717138	FICDXVFRUMSYHZ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)[C@H](C)CCC	2010624259	QPDFNJPCGDTOIW-FMKPAKJESA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C1=CC[C@@H](C(C)C)CC1	2010715218	KOVMZHADPNMUIN-HIFRSBDPSA-N	237.431	4.523	0	10	BJAE	
CCCCC[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2010723156	SVUAUUGQHVDSTQ-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)(CC)[C@H](CCC[C@H]1C[C@H]1C)NC	2011576200	IYUIFCQVXCOCGA-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C12CCCC1CCC2	2012133412	AAYQYTXAFZPBLK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)C1CC2(CC2)C1	2012415828	FOLUURUQTVEBNI-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC1CCC=CCC1	2013296680	NEWPCVQDWJWDPG-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CN[C@H](c1sc2ccccc2c1C)C(C)(C)C	2014293940	WDLLBLAQJWYOKO-CQSZACIVSA-N	247.407	4.516	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)C1(C)CCCC1	2014337470	DHASHZJNKLKRQU-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@H](C)C(C)C)NCC	2015279239	VPLFBRGAWMKSFK-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)C1(C)CCCCC1	2015282502	WANUKMZUHWZSBP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CCC(C(C)C)C(C)C	2015337043	VKDJXQOMJBHUID-GDBMZVCRSA-N	242.447	4.738	0	10	BJAE	
CC(C)[C@H](C)C[C@H]1CCCCCCCC[C@H]1N	2015410447	VJYKWLJUMRGVHG-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
Cc1cn(CC2(C(C)(C)C)CCC2)c(C)c1C	2017123089	IUVCHUKSHVWNKQ-UHFFFAOYSA-N	233.399	4.630	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H]1CCC[C@H](CC)C1	2017487799	UBASYMMOQYUPNW-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](O)C2CCCCCC2)CC1	2017651243	RCJCUMCBIDNSKR-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC)C[C@H]1CC[C@H](CCC)CC1	2017723177	JHGWDQHGAXJPES-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@@H](C)CC(C)C)CC1	2017730189	FCBUSRBISVBEBP-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)CCCC2CC2)CC1	2017731114	NVTLYKBTARCVSP-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)CC1CCC(CC)CC1	2017765913	JZUCMADKFFQKHO-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC1(F)CCCC1	2018179432	IWURUDOCOOYEBD-CQSZACIVSA-N	243.410	4.559	0	10	BJAE	
CCCC1(C[C@]2(CCC)CCCCCN2)CC1	2018990722	HEMBAEMGWRMTFY-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC1(C)CCCC1	2019194069	NSIYCQKOSFLKNP-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)CC1(C(C)(C)C)CCC1	2019387007	SQEAXTARAVFDIB-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](N[C@H]1C=CCCCC1)c1cccs1	2019497967	KWUNWMQUELVTGV-UONOGXRCSA-N	249.423	4.678	0	10	BJAE	
CC(C)CN(C[C@H](C)C(C)C)C1CCCCC1	2020536086	RHMVBDRBWRCCAA-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1C[C@H]1C1CCCC1	2022454283	MVFOLMIUDOWLMA-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2024093955	GJUZBBYEAUMOJB-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CC1CC(C)(C(=O)C[C@@H]2CCCC(C)(C)C2)C1	2024101392	KHOFKWFWPXDXFM-UYJPIKCFSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C[C@H]2CC(C)(C)CCC2=O)CC1	2024126610	XPZXZDFUPFNFEH-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H]1[C@@H](C)CCC[C@H]1NCCC	2024517423	RMAMAEYMGCHWIE-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CC[C@@H]1CC1(C)C)C1=CCCCCCC1	2027815815	QJRRVBPCTOBUJX-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CCC[C@@H]1CC1(C)C	2027835268	AAKSNTSDJMEKFO-CABCVRRESA-N	245.410	4.520	0	10	BJAE	
Cc1ccc([C@@H](O)CCC[C@@H]2CC2(C)C)c(C)c1	2027842659	JYHQLRVIILKYAX-ZBFHGGJFSA-N	246.394	4.553	0	10	BJAE	
CCCNC[C@@]1(C2CCCCC2)CC=CC[C@@H]1C	2027924447	VJJSPUJMSGAXDC-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C[C@@H](C)c1ccccc1	2028233603	YFCKPUNYSVPHSY-DJIMGWMZSA-N	248.410	4.613	0	10	BJAE	
CN[C@@H](c1ccc(C)cc1)[C@@H](CC(C)C)C(C)C	2028265044	QPFFPMZEOUGDTG-IRXDYDNUSA-N	247.426	4.574	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1ccccc1C1CC1	2028578594	SDRRXIVSXVNRKI-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CC[C@@H]1CC[C@@H](CN)[C@H](CC2CCC=CCC2)C1	2028875766	OXQKORPBNFTLDY-PVAVHDDUSA-N	249.442	4.524	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CC1CCC=CCC1	2028906020	FIKNCZSMQSSULJ-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)C[C@@H](C)c1ccccc1	2035495778	MMNJSNNCYGKXPO-DJIMGWMZSA-N	246.394	4.512	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)c1ccc(C(C)C)cc1	2035501608	YKNVHMWVVKWRNR-RDJZCZTQSA-N	246.394	4.598	0	10	BJAE	
CN[C@@H](CCC=C(C)C)c1cccc(C2CC2)c1	2036355447	LMURFLZASQUNIK-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@H](N[C@H]1CC[C@H](C)CC1)C2	2036664576	LDANCKQLINLHMA-QUSNUVHPSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(N)C1CC2(CCC2)C1	2037133257	GCOQPLVMJPTMOO-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@@H]1CCC[C@@H]1C	2037191015	REALTGRGDBAKCV-JKQORVJESA-N	249.442	4.667	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)CC1CC2(CCC2)C1	2037980575	ZWEWIEJCEYQTSE-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC1CC2(CCC2)C1	2038078865	OZMUPLSXAGFMCV-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H]1CCC2(CC2)C1	2038570991	GWOOQWVMIGCHNF-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@H](C)NC[C@@H]2C=CCCCC2)CC1	2040630318	LFKQLDWFLPGATP-VUROTCPHSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@@H]1CC=CCC1	2042018995	KTGNZFCOYCICTP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(NC[C@@]2(C)C=CCCC2)CC1(C)C	2042332571	IQPPQSIIIMAJDR-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@H]2CCC=CCCC2)C1	2045312284	NIXPRZZJRPNCIN-PMPSAXMXSA-N	248.410	4.908	0	10	BJAE	
CC1(C)C[C@@H]1CCCNC[C@@H]1CCC=CCCC1	2045322685	GTGDOSIBFWUZFV-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@@]1(C[C@H]2CCC=CCCC2)CCCN1	2045324161	SHWYNWPXWIKJAM-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(C3CC3)CCCCCN2)C1	2045399580	LIDKNZVSNVCUCJ-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCCCC1)C[C@H]1CC12CCCCC2	2047057992	FRZKHQPAAUQIHE-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
N[C@]1(CC2=CCCC2)CCCCC12CCCCC2	2047562178	SPFKLDZGAXTNIZ-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048373861	KEPYWVJROLVODS-GQWUXDJYSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@H](N)C2[C@H]3CCCCC[C@H]23)CCCCC1	2048530856	OPWVIDKYJULNDO-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@@H](O)CC2=CCCCCCC2)c1	2050426356	OUQHGVAHYWOYPR-KRWDZBQOSA-N	244.378	4.699	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@H]1CCCCC12CC2	2053354981	HWRQPXDJQSNRQO-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@H]1CCCCC12CC2	2053359411	NHYVSJLUIMZILC-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@H]2CCCCC23CC3)C1	2053417213	ZUGHADBZETWVFG-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H](C)C1CCC(C)(C)CC1	2055677351	HZGKIRLWLUASFL-HOCLYGCPSA-N	249.442	4.680	0	10	BJAE	
CCc1cccc2ccn(CC3CC(CC)C3)c12	2056667124	AJXGILCVAYIIKB-UHFFFAOYSA-N	241.378	4.640	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H]1CCC(C)(C)C1	2056879322	RWNATEFYTMWTCM-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](C)[C@H](NCC)c1ccccc1	2059255016	DOYZADAKYUQFFI-DVJJNNKXSA-N	245.410	4.720	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@]12CCCC[C@H]1C2	2059259505	PNBJPXODUQRFKG-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C(C[C@@H](O)c2ccccc2C)CC1	2061100176	VDKUODGJIZIPKI-WMLDXEAASA-N	244.378	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)C1=CC[C@@H](C(C)(C)C)CC1	2061112135	CJUDJFACCCAJPT-CKEIUWERSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C1=CC[C@H](CC)CC1	2061141207	UAEYWMVYWONILW-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CN(CC[C@]12CCC[C@@H]1C2)C1CCCCCCC1	2061625340	DHAHMMOWTGLSAM-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](CC1CC(=C2CC2)C1)[C@H](C)CCC	2061726715	SYDZJYBJLGILGH-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(CC(=O)C2CC(=C3CC3)C2)C[C@@H](C)C1	2061735468	ZEUNSWHFIRTAJG-RYUDHWBXSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1ccc([C@@H]2CC(=O)CC(C)(C)C2)cc1	2063726776	QHEREVNOTOQPLP-OAHLLOKOSA-N	244.378	4.673	0	10	BJAE	
C[C@H](N[C@H](C)CC1=CCCCC1)[C@H]1CCC1(C)C	2068289773	WLJYWEVRKOUWQY-IJEWVQPXSA-N	249.442	4.680	0	10	BJAE	
CC(C)C(C[C@H]1CCc2ccccc2N1)C(C)C	2069012522	ZJBZRRDGJOUMPV-OAHLLOKOSA-N	245.410	4.732	0	10	BJAE	
CCCC1(C[C@H](N)C2CC[C@@H]3C[C@H]3CC2)CCC1	2069336458	ACJOGOLSQMUWIT-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@]23CCCC[C@@H]2C3)CCC1	2071916443	ZGISGNHFROGFNI-DYVFJYSZSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1(C(=O)CC2CCC=CCC2)CCC1	2071924387	QGQUHTVXWOIKTR-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@H]2C=CCCCC2)CCC1	2071933758	NRABDSPWMZLPBI-LSDHHAIUSA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CC[C@H]2C2CC2)CC1	2072797505	ZXNNKOKDAAERSP-LCSXWQTCSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H]2CCCC23CCC3)CC1	2074633837	IXDYYMUTYPTHHK-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H]2c3ccccc3NC[C@@H]2C)CC1	2074637679	XURABROFFYKQBR-ZFWWWQNUSA-N	243.394	4.802	0	10	BJAE	
CC[C@H]1CC[C@H](CN2C3CCCC2CCC3)CC1	2075344160	OLQZKFZTKVXNJO-OJHJNGDYSA-N	249.442	4.610	0	10	BJAE	
CCc1cc(-c2c(C)cc(C)cc2C)ccc1O	2076826365	PHHJJECMMOVYKY-UHFFFAOYSA-N	240.346	4.547	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C[C@H]2CC[C@H]1C21CC1	2078340726	RJULYFAJWYCHLW-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@@H]1C[C@@H]1CC	2079264758	JJFPYMNNKVCTIO-BBRMVZONSA-N	245.410	4.578	0	10	BJAE	
CCCc1ccc(NC[C@@H]2C[C@H]2C(C)(C)C)cc1	2079618648	GVXGUCSFBDBJSK-GOEBONIOSA-N	245.410	4.733	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1ccc(C2(C)CC2)cc1	2079650254	JIIOFVKYANNJOS-KBPBESRZSA-N	243.394	4.586	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1C[C@H]1C1CCCC1	2079831038	HTASBPDSHLTBNO-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)[C@H](C)CCC(C)C)c1	2082918443	ISLPCMURPBWCLB-DYVFJYSZSA-N	247.426	4.684	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C2(C3CCC3)CC2)C1	2082982817	NRFHSDPYKHULDD-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C[C@@H](N)CC1CC2(C1)CC1(CCC1)C2	2083617072	HYKHOQMATALHFP-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC(=C2CCCNC23CCCCC3)C1	2083809559	VBPIBCPICMWIMH-CQSZACIVSA-N	247.426	4.579	0	10	BJAE	
CCc1ccc(N[C@@H]2CC(C)(C)C2(C)C)cc1C	2084372693	ZMZSLPUOLSLFIV-OAHLLOKOSA-N	245.410	4.794	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CC[C@@H](C(C)C)C2)c(C)c1	2085239851	JRDWANKSKQRBQX-CVEARBPZSA-N	245.410	4.848	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H]2CC(C)(C)CC3(CC3)C2)C1	2085262160	XJHXZVNXAAUJRT-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
O[C@@H](CCCCCCCC1CC1)C1CCCC1	2213581667	ZKQMAWJYWSNBMR-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CN[C@@H](CCCCC1CC1)CCC1CCCC1	2214575639	ZXHDIUVGJYBFIF-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC(C)(CC2(N)CCCCCCC2)C1	2215400396	FZPUFCIPKUOPNP-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1C[C@H]1[C@@H](N)CCCCCCCC1CC1	2216858585	DHHKLTDCGOSPPM-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC(C)(C)C)CC=CCC1	2217124243	FSTLKYSRKCNZTK-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@H]1CC[C@@H](C)C1	2217125988	SCRDUIXGNFLOPH-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](NCCCCCC1CC1)c1occc1C	2218749844	LJPQINPQDLVODX-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C1(C2CCC2)CC1	2220047991	YLDMFMMBRKPSRO-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@]2(C)CC=C(C)CC2)CC1	2221628865	XZWFUCWMJBYQON-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(CC2(C)CCCC2)CC=C(C)CC1	2221664436	MSCJEMJHZNMIJL-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](c1c(C)cccc1C)C1(CC)CCC1	2222008802	JSNVFJQQJNBQBW-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)=CC[C@H](N)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222948834	KSBASLASJVGUQM-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC1(C)CCCCC1	2244780324	GFKUWXPAKKZVEL-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CC(=CCCN)CC[C@H](C)CCCC(C)C	2244837743	QQWVFKJWDKPORZ-CQSZACIVSA-N	225.420	4.524	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C2(C)CCCC2)C1	2246665241	RLKYTJLERAQCNY-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCNC[C@](C)(CC)CCCC[C@H]1C[C@H]1C	2247167883	YWIKPTBGYSVQSO-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC[C@@H](N)C1CCCCCC1	2247175603	KAEXJOQZQIQDME-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCN[C@H](C)CC(C)(C)C	2248858116	PHEFKBQLKUVTHU-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](N)CCCCC[C@@H]1C[C@H]1C	2248879899	PCKSWKNLHAHQEY-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@H](N)[C@@H]1CCC2(CCCC2)C1	2250355404	AXICJKNGCYZFAS-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C(=O)CC[C@@H]1CCC[C@H](C)C1	2250374181	WTNBVZZMHBMKER-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCC(C(C)C)C(C)C	2250379906	WECDDOHVDGKLEE-GOEBONIOSA-N	241.463	4.848	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@@H]1CC[C@@H]1C	2250485802	OJTDPDBFFSQVGS-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CC[C@H]1NCC[C@@H](C)CCCC(C)C	2250514598	QSPZDQWETWTZIS-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(C[C@]12CCCC[C@@H]1CC2)C(C)(C)C	2251217310	QUQGKUPJSINEDZ-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC1CC(CC2(N)CCCCC2)C1	2251503005	PWLFKHFYONBVJY-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1ccc2ccsc2c1	2253067122	FRPDKTRIAKFIBY-ZDUSSCGKSA-N	247.407	4.727	0	10	BJAE	
CC1CC(C)(CC(=O)[C@]23CCCC[C@H]2CCC3)C1	2253762199	DOGYKNYRRODTKE-VLVHBFOGSA-N	248.410	4.742	0	10	BJAE	
CC1([C@@](C)(N)CC[C@H]2CCCCC23CC3)CCC1	2253837205	DHKVBVXODOHTHR-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
CCNC[C@@]1(CC2=CCCCC2)CCC[C@H](C)C1	2255104828	XSKSIGUAFDRYIL-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)CC[C@H]1CCCC12CC2	2255254852	YSNSRUPOQFMIEF-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1[C@H]2CCCC[C@H]21	2257315668	MVJAUNWQAGSFGJ-LBKYZSNHSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)c1cc2ccccc2o1	2259440596	HGPDOKZLIOHGIV-WBMJQRKESA-N	245.366	4.520	0	10	BJAE	
CCCC1([C@@H](N)C[C@]23CCCC[C@@H]2CC3)CCC1	2260623406	NGTQJHLLEYPJFR-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@H](C)NC[C@](C)(CC)C(F)F	2299921649	GLWFHYMWYYUFLG-JSGCOSHPSA-N	249.389	4.616	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CCC1(C)C	2300463650	OYIVHKUJUJAQBW-HNNXBMFYSA-N	231.383	4.719	0	10	BJAE	
CCC(C)(C)CNCC=C(C)CCCC(C)C	2300864547	BUOHXXLIBXHFDP-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CC(=CC[C@]1(N)C[C@@H](C)[C@@H]1C)CCCC(C)C	2300904224	MNLSMBYTHSYMQA-PMPSAXMXSA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@](N)(CC2CCCCCC2)C1	2301143328	SWNUXGUOJJQVSF-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
Cc1ccccc1-c1nc(C(C)(C)C)c(C)s1	2301188030	HGNUKISPCAEZJT-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)C1(C(C)(C)C)CCC1	2301954708	CHDCSANUUSJXHV-CHWSQXEVSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@H]1CCC(C)(C)C1	2302764475	YJGLYJXYFMXBNG-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CC(C)C(C(=O)C[C@H]1CCC(C)(C)C1)C(C)C	2302870905	DDSYKIPZOCMDNZ-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@@H]1CC[C@@H]1C(C)(C)C	2303466244	ULTQWASALBPXJG-MELADBBJSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](O)[C@H](C)CC(C)C)CC1	2303522785	MKELTKXPFSZNTF-BZUAXINKSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1c1cc(Cl)c2ccccc2n1	2304042920	BRDDHSXCLCURBK-NEPJUHHUSA-N	245.753	4.648	0	10	BJAE	
C[C@@H]1CC[C@H](c2nc([C@@H]3CC34CCC4)cs2)C1	2304509940	HVTPRHUYYYWIHO-WOPDTQHZSA-N	247.407	4.704	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)CC(C)(C)C)c1	2307500880	JDWXGYLRCZRNDH-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@](C)(F)C(C)(C)F	2307667623	RJWWMHNRAZQZTF-ZDUSSCGKSA-N	248.357	4.638	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](O)CC1CCCCC1	2307824729	VPLZKOSTDFHCFK-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H](C)C1CCCCC1	2307880364	WCNHCROSJQXPAQ-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(CC(F)F)CCC1	2307899578	CDBQPGWTFJLSBZ-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCC[C@@]12CCC[C@@H]1C2	2310376629	VQNNZBBSKWXUIT-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1C[C@@H]2CC[C@H]1C2	2312905034	IQXWTSTYQJXPDD-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312908228	WAMHSZDAILXUFM-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)[C@@]12CCCC[C@@H]1CC2	2313312704	WDUZOUYFWCGDJU-KLZNWCGWSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C(CC2CC2)CC2CC2)C1=O	2313605653	HTUZSOVLKXBKRS-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1CCCC1)C(CC1CC1)CC1CC1	2313687617	YZHFUDXZONWTGK-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC(=CC[C@]1(N)C=CCC[C@H]1C)CCCC(C)C	2316501611	GGURFQXLVIQWOP-IAGOWNOFSA-N	249.442	4.833	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@@H]2CC[C@@H]21)CCCC(C)C	2316537443	QQOBGCHYQPETMV-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1ccc(F)cc1C1CC1	2317066168	BAQXIWRINLXWPM-BDJLRTHQSA-N	249.373	4.529	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1ccc(F)cc1C1CC1	2317088474	CTHSMCNAZKZZGP-NSHDSACASA-N	248.341	4.568	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@H](C)C(C)C)c1cccc(C)c1	2317629602	JJZSHJAOYRATJA-VYDXJSESSA-N	247.426	4.716	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CCCC1=CCCCC1	2318549780	ZZZOQBBHSUFFGI-NVXWUHKLSA-N	249.442	4.955	0	10	BJAE	
C[C@H]1C[C@@H](C)CN(CCCC2=CCCCC2)[C@@H]1C	2318583741	SNUPWXSBGDOZND-OWCLPIDISA-N	249.442	4.633	0	10	BJAE	
C[C@]1(C2CC2)CCCN1CCCC1=CCCCC1	2318591650	AMPAPPGSOOBQQQ-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CC[C@@H]1CCCC12CC2	2318930401	XJIGQMLPBHLCTR-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1[C@@H](N)CC1CCC=CCC1	2320217645	OFMWZKJNEHNSTI-OAGGEKHMSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](NC[C@@H]1CCC(C)=C(C)C1)[C@@H]1CC1(C)C	2320230415	HCRAESHQNBPGAA-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](COc2cc(F)ccc2C)CC1	2320387239	FGFUDFLOOFAGIQ-CQSZACIVSA-N	248.341	4.649	0	10	BJAE	
CCC1CC(CCNC[C@@H]2CCC(C)=C(C)C2)C1	2320415991	GHLZCVAGVCKTKO-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CNc2cc(C)ccc2F)CC1	2320418606	CDWAIFYMCUMTJV-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CCc1ccc(N[C@H](CC2CC2)C2CC2)cc1C	2320617105	RIYVJNJBZXOREC-QGZVFWFLSA-N	243.394	4.548	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C2CCCCC2)cc1	36171572	LBLJXYIEDCBTAW-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
CCC[C@H](C)CN[C@H](C)c1cc2ccccc2o1	37070832	BIKVPBSXZFXNQV-QWHCGFSZSA-N	245.366	4.520	0	10	BJAE	
Cc1ccc(C)c([C@H](C)NCC2CCCCC2)c1	37248930	QVEVNDHPCDINEE-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCCCC[C@@]1(O)CCC[C@@H](C(C)C)CC1	83520744	OEQUICAPKBZHLM-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CN[C@@H](CCCCC(C)(C)C)c1ccccc1	83828442	YPENIUNUPHMMKN-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CCCCCCN[C@H]1CCC[C@H](CCC)CC1	86923293	YUOSNLDSVFKZSO-HOTGVXAUSA-N	239.447	4.905	0	10	BJAE	
CCN[C@H](C)c1cc2cccc([C@H](C)CC)c2o1	88073264	FODNESULRYMDBI-VXGBXAGGSA-N	245.366	4.617	0	10	BJAE	
CCCNCC1CCCCCCCCCCC1	89556478	LVZWHMKJWZWGOJ-UHFFFAOYSA-N	239.447	4.907	0	10	BJAE	
Cc1ccccc1NC1CCC(C(C)C)CC1	109758049	RGAOJBDZJHMHBB-UHFFFAOYSA-N	231.383	4.622	0	10	BJAE	
CCc1ccc([C@H](CC)N[C@H](C)[C@@H](C)CC)cc1	109927684	DCHKTTCLJGXAGN-VBQJREDUSA-N	247.426	4.724	0	10	BJAE	
CCC1CCC([C@@H](O)CCC2CCCC2)CC1	125521030	HOYACGUYEOXBPH-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC(C)Cc1cccc(C(=O)C2(C)CCCC2)c1	127619375	ACTTUHOPXIAFRA-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCCCC(=O)c1ccc(CC)c(CC)c1	127900065	CXJGMGZWXKBIKI-UHFFFAOYSA-N	232.367	4.574	0	10	BJAE	
CCCC(O)(CCC)c1ccccc1C(C)C	145645261	OJYKQCSMUSJFBW-UHFFFAOYSA-N	234.383	4.598	0	10	BJAE	
CCN[C@H]1CCCC[C@@H](C2CCCCCC2)C1	149438748	JMSFFTXNONVDFT-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@@H]1C[C@@H](C)CC	155805406	WIVKKTNSUVEAPL-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](CCC(C)C)c1ccccc1C(C)(C)C	158760380	PNIXILLHGIJYMJ-INIZCTEOSA-N	247.426	4.681	0	10	BJAE	
C/C=C/CCN[C@@H](C)c1ccc(CC(C)C)cc1	161698473	YTVVRRJVFRZLJY-NFAHFFEMSA-N	245.410	4.502	0	10	BJAE	
CSc1ccccc1C(=O)CC1CCCCC1	164865686	OXPFESQXEAYPLF-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)c1cccc(C)c1	203328302	KJLAYDUNABQVKT-RDJZCZTQSA-N	248.410	4.809	0	10	BJAE	
CCCC[C@H](CCC)NC1[C@@H](C)CCC[C@@H]1C	225969595	JSZJNQGGXBVAMJ-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CC[C@@H](C)C[C@@H]1C	226171094	YYEWKYAUMFADIS-ZVDSWSACSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)c1ccc(C(C)(C)C)cc1	226524557	GRHTZZUEVBHROB-DOMZBBRYSA-N	244.378	4.603	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@@H]1CCC[C@@H](CC)C1	227006145	IWIMIGUGLOQQOC-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1ccccc1C)C1(C)CCCC1	229441020	RTWXTVLLEYVLON-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C[C@H](C)CC(C)(C)C)C1	229453814	PPZRBPWXRTTXJI-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@H](c1ccccc1C)[C@@H](C)CCC	233087460	MHVBTPHHLATBJJ-YOEHRIQHSA-N	247.426	4.514	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)C1(CC)CCCC1	233176127	YCECYYVWZJLOKX-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccccc1N[C@@H](CC)CCC	233349303	PMGXKNVQXZUDPO-AWEZNQCLSA-N	219.372	4.630	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1c1ccc2c(c1)CCCN2	234058877	XWYXMMCMUYGJLR-BBRMVZONSA-N	243.394	4.729	0	10	BJAE	
Cc1csc([C@@H](O)CCC(C)(C)C)c1Cl	235795044	DASUEBZGPUBTMF-VIFPVBQESA-N	246.803	4.570	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C	251201093	VGUAGRAPIZFOJS-FXUDXRNXSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCC(C)(C)C[C@H]1C	252033180	ZQNDYRHOSAAXET-XGUBFFRZSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CC[C@H](C)[C@@H](C)C1	253056489	ZCXFLQQVXMPHJE-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@H](C)CC(C)C	300945009	PDBJCRXUPJLQIP-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CN[C@H]1CCCCC[C@@H]1CCC1CCCCC1	302243300	GOELOFJCJDZCGC-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1ccccc1C1CC1	302425822	USLBYFOEYPBKPI-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)[C@H](C)CC(C)C	302563600	NBDRHIVMCQHEJE-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)[C@@H](C)CC(C)C	302563602	NBDRHIVMCQHEJE-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)c1ccc(C(C)(C)C)cc1	302603739	WTNGERYTCPSSEG-CZUORRHYSA-N	247.426	4.666	0	10	BJAE	
Fc1sc2cc(C(F)F)ccc2c1Cl	306692257	RJPUILZWUGMZCI-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1)[C@@H](CC)CC(C)C	308053919	AOQKAZFTDBPVEB-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@@H](CC)CC(C)C)cc1	308085255	VJRFOWFNHTVBOU-RDJZCZTQSA-N	247.426	4.711	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC1(C)CCCC1	309408030	VFQKXEFMTSALFJ-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1CCC[C@H](C)C1	309430562	JKALCQNCUNSNGX-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](NCC)[C@H]1CCCCC12CCCC2	310283300	PXQJAVPQQBGTFV-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CC2(C)CCCC2)C1	310497734	HFAXOGZEHGMRAQ-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
Cc1cc(F)ccc1C(=O)C[C@@H]1CCC[C@@H](C)C1	311022739	REQPIDZXYOITFI-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
CCc1cccc(OCC2CCC(C)(C)CC2)c1	311025262	RRAWOAIYLXQLQD-UHFFFAOYSA-N	246.394	4.844	0	10	BJAE	
CCC[C@](N)(CC1(C)CCCC1)c1ccccc1	311045803	PUGUPKLSXUZWHK-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
CCC[C@H](Nc1ccc(F)cc1C)C1CCC1	322846675	NUTVTJDOAUNJIC-HNNXBMFYSA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCC12CCCC2)C1CCC1	324793184	KRSYSFFSQKYZBS-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CCc1ccccc1N[C@H]1CCCC12CCCC2	328061928	BOBMZAUQSKGVFA-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC1(C)CCCC1	380759807	VYAVHQPDTGOVCV-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)NCC/C=C/CCC1=CCCCC1	384970896	PETHTHSZSHCOQN-SNAWJCMRSA-N	235.415	4.601	0	10	BJAE	
CCCC1([C@H](O)c2ccc([C@@H](C)CC)cc2)CC1	385192804	WAFXSOPAAWGSPI-XJKSGUPXSA-N	246.394	4.814	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1[C@H]2CCCC[C@H]21	394837437	XHQXGYHLSOZPJQ-FOLVSLTJSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCCCC1=CCCCC1)C1CC1	395307829	FHVOGSFSAZZQHE-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1N[C@H]1CC12CCCCC2	395674362	OLXPCVJDHJKXBX-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1CCCC(C)(C)CC1	398106514	KRYWELJDELMFSB-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC(C(=O)C[C@H](C)C2CCC2)CC1	398612979	BBNJMNKAKKRNRY-OPFPJEHXSA-N	236.399	4.598	0	10	BJAE	
C1=C(CC2(CNC3CC3)CCCCCC2)CCC1	401152150	FCOXXQVOKPSQCY-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CC2	402129000	FDRHBLXVFMGSFS-IHRRRGAJSA-N	248.410	4.620	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C[C@H]3C=C[C@H]2CC3)CCCC1	402218314	QZFMPPXPUKVBOB-KKUMJFAQSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1CC=CCC1)C(C)C	402259975	GJEGWPBDIPKMQX-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CCC(C)(C)C1CC1	406053067	INANYSBKKJDWGS-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCCNCC1(CC)CC(C)(C)CC(C)(C)C1	687972185	HYIXSXJTMUZOKG-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccccc1NC[C@H](C)CC(F)F	688767663	GLEQGTWZPRXTGQ-LLVKDONJSA-N	241.325	4.513	0	10	BJAE	
CCCN[C@@H](c1cccc(C(C)C)c1)[C@H](C)CC	688950560	MLQODMUIZISGSY-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)C[C@@H](C)c1ccccc1	691127848	NFKYSMGCQMNRNY-HLLBOEOZSA-N	246.394	4.512	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)[C@H](C)C2CCC2)cc1	692696453	UBJWGSYYSNJTHE-CHWSQXEVSA-N	244.378	4.819	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@@]23CCC[C@@H]2C3)cc1	693220265	WAVBWOOJEKRDCV-XGWLTEMNSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC2CCC3(CC2)CC3)C1	695685412	XOUQGAPBPNCQPV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@H]1CCC[C@H]1C	696560907	LHRJOIOJRPDQMO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)CC1CCCCC1	696569017	VYDAJLWDZBNSFM-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CCC(C)(C)CC)C1	696715019	YGFIASSEUKNHHU-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C=CCCCCC2)CC1	697620016	GBKCQZOLDHSEKT-CVEARBPZSA-N	249.442	4.824	0	10	BJAE	
CC(C)=CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1N	697767908	RXLNACSVMCRJDV-RRFJBIMHSA-N	237.431	4.523	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C1CC(C)(C)C1	701490405	VJADHCYWEIRWMP-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc2cc([C@@H](O)CCCC(C)C)oc12	703970155	SPIHOEOQFIBGLG-AWEZNQCLSA-N	246.350	4.601	0	10	BJAE	
C[C@H]1CCCC[C@H]1Oc1ccc(C(C)(C)C)cc1	704925481	LBJJXBVWKPCFIN-XJKSGUPXSA-N	246.394	4.942	0	10	BJAE	
C1CCCC(CCNC[C@H]2CCCC23CC3)CC1	707136107	SAVYQLSAPQNQRS-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(O)CC1CCCC1	709162766	IEGVSYIIXCIDEM-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC(=O)[C@@H](C)c1ccccc1)CC(C)(C)C	709208226	ANVPPAKLBBYVGJ-KGLIPLIRSA-N	246.394	4.822	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)CCC(C)(C)C1CC1	709230720	YMEUNDRZRPUKGJ-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC1(N[C@H](C)[C@]23CCCC[C@@H]2C3)CCCCC1	709249349	RWGTZSCFJHZJRN-BFYDXBDKSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC23CCCC3)cs1	710730296	ZMXWNCHBRYDLMB-CYBMUJFWSA-N	235.396	4.581	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)C1(C)CCCCC1	710825410	UNYVJENYFDKGRC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@](C)(N)CC(C)(C)C(C)C)cc1C	713157618	ICCIXMDRWCBQDR-QGZVFWFLSA-N	247.426	4.550	0	10	BJAE	
CCCCCC[C@H](CC(C)(C)C(C)C)NC	713188800	GBIVXCLYJSDHLU-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC(C)C(C)(C)Cn1ccc2cccc(Cl)c21	713239594	KXCINZFGCDBWBI-UHFFFAOYSA-N	249.785	4.977	0	10	BJAE	
Cc1cccc(CCC(=O)CC(C)(C)C(C)C)c1	713370437	BJEKGODQZIXURZ-UHFFFAOYSA-N	246.394	4.569	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)CCC(C)=C(C)C)CC1	718602371	TWKZKMKSIGPKTA-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
CCC1CCC([C@H](N)CCC(C)=C(C)C)CC1	718642760	CGGJRAYSYHLXEA-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)CCC(C)=C(C)C	718650363	HFOGHYFLFCMMSY-UKRRQHHQSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)CC1=CCCCC1	719176086	IHIAZEIGCOQWPL-UHFFFAOYSA-N	220.356	4.583	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@]2(N)CCCCCC2(C)C)C1	719196622	DOUCPKPFAMYHIE-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C1(C)CCC1	720772439	UPBSIUOUFOAZNY-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H](N[C@@H](C1CCCC1)C1CC1)C1CCCCC1	723959367	IRVHLEBIHIGHDT-GUYCJALGSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@@H]2CCCC3(CC3)C2)C1	1179670183	FWZNJHQAALYYKR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1N[C@@H]1CCCCC12CCCCC2	1875421259	ZCHGMEAGZNXZMA-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C[C@@H](C)CC	1900838599	BOTJMPNUXWNMKZ-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CCC[C@@H]1C[C@H]1C	1908555208	NBQMWWDUBQGUFO-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCC[C@@H](C[C@@H](C)C(C)(C)C)NCC	1911810704	WTWJTMGZVVCTJZ-CABCVRRESA-N	237.431	4.559	0	10	BJAE	
CC=CCCc1cc(Cl)c(C)cc1OCC	1912110265	PPPYZKHBEAZLDO-UHFFFAOYSA-N	238.758	4.556	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C1CC2(CCCC2)C1	1912597921	XVFLJQPLFATUQZ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C1CCCCC1)C1CC2(CCCCC2)C1	1912599656	PKHYNHDADHXXAW-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)C1CC2(CCCCC2)C1	1912630475	KMCJNWGJSAWDMO-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)CCC1(N)CC2(CCCCC2)C1	1912705644	FQJYGZCSANOFMZ-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC1CCC(CCNC2CC3(CCCC3)C2)CC1	1912730978	TZDXJVWNPUSZMD-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@H]1CCCCCCCC[C@@H]1N	1913405392	SRCQEQUPSUXOPA-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CCCC=CCNc1c(Cl)cccc1Cl	1914667180	PHJNYXRYONIHON-UHFFFAOYSA-N	244.165	4.762	0	10	BJAE	
CCCC=CCNc1c(CC)cc(C)cc1CC	1914677407	YWLIYLXOIXOCCI-UHFFFAOYSA-N	245.410	4.888	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CCCCC2)C1)C(C)(C)C	1915854934	MJPOQOUJCCTRNV-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H]1C[C@H](C)CC[C@H]1CCCC(C)(C)C	1916012778	BOPLPLRSSAIUMG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CCC[C@H](C)C2)C=CCC1	1916378190	QPMBXERNYWPEIZ-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@](O)(CC)C1CCC(CC)CC1	1919528036	XNOBYAOYQVLQEM-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CC1(C)CCCCC1	1919969086	GRMVARFBFKNXLA-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)C[C@@](C)(O)c1ccc(C(C)C)cc1	1920042699	FFEHRGWDFQWLFL-QGZVFWFLSA-N	248.410	4.844	0	10	BJAE	
CCCNCC1(C[C@@H](C)CC)CC(CCC)C1	1921293132	WVEQDCNLOZCOEI-FHERZECASA-N	239.447	4.619	0	10	BJAE	
NC[C@H]1CCC2(CCC2)[C@@H]1CCC1CCCCC1	1924787211	CACYFNCHPZRKFU-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
OC[C@@]1(C[C@@H]2C=CCCCC2)CCC=CCCC1	1925941276	UUMWMMLUWJAYRO-SJORKVTESA-N	248.410	4.622	0	10	BJAE	
FC(F)CCCCCCCCC(F)F	1926256211	IPDUAFCTLJIWHU-UHFFFAOYSA-N	214.246	4.637	0	10	BJAE	
CCC[C@@H](C(=O)CC1(CC)CCC1)C(C)C	1936205823	FDTACBVPCOAGEQ-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC[C@@](O)(CCCCCC1CC1)C(C)(C)C	1936419174	UGWWGXRSHQYFSU-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
Cc1cccc(C(=O)CC2(C)CCCCC2)c1	1940376660	DBKYLUNSCZZNIC-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC1(C)C)CC(C)(C)C	1940871263	AZAZRUCWXDTDPG-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NCC)C1CCCCC1	1941264676	SOTDJENXLZBCFP-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@H](CC)C(C)C	1941266711	IXDGZPMACQMFTL-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CCCCCC1CC1	1941575346	NASZZZDUQCPXEW-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)CCCC(=O)C1CC[C@@H]2C[C@H]2CC1	1941876004	OMVOTSZIJKWRRF-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@]1(CNC2CC2)CCCC1(C)C	1944476396	XBTBVJXWALVANX-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)C(C)(C)C(C)C	1944667747	GMKGGASHXSPOQZ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CCCCCC2CC2)C1	1945584525	RXVWDMQIEQTMBX-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCC(O)(CCC)c1cccc2sccc12	1945954804	AXHAWBFOSJNYLZ-UHFFFAOYSA-N	248.391	4.689	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@@H]1CCC[C@@H](CC)C1	1948865074	SHNWZYQNCDJBBR-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CCCC2(C)CC2)C1	1949054783	NMPBGPGPRHJRCW-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC1CCC=CCC1	1949081507	OGEBUIAGSYGDMG-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@H]([C@@](C)(O)CC2CCCCC2)C1	1949421317	LTCVIHDNRIVSJT-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)CCCC2(C)CC2)CC1	1950910484	GYIMMMPTGJPIHL-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCC=C[C@H](C)Cc1ccc(OC(C)C)cc1	1951308231	BZQYGTKLBRSWKK-AWEZNQCLSA-N	232.367	4.619	0	10	BJAE	
CC=CC[C@@H](CC)c1cc(C)ccc1OCC	1951308640	KQMWRDLUQVBCQX-CQSZACIVSA-N	232.367	4.854	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1c(Cl)cccc1Cl	1959204831	ALJILEBLXOQJFI-LDYMZIIASA-N	244.165	4.594	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cc(C)c(Cl)s1	1960261132	NGEKVDJBSXGWDE-SNVBAGLBSA-N	245.819	4.536	0	10	BJAE	
CC(C)=CCCC[C@]1(C)CCCC1(F)F	1960757494	QSOJMHQTECPOOD-GFCCVEGCSA-N	216.315	4.948	0	10	BJAE	
CCN(CC1CCCCCC1)c1ccc(F)cc1	1963272808	SKKJLZUNGOECGI-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCCCC23CCC3)C1	1967790055	BCDFCHJJWZPPDC-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCCC(CCC)CN[C@H](C)c1ccc(C)cc1	1968547629	ITCLLHVZVIFWLN-OAHLLOKOSA-N	247.426	4.862	0	10	BJAE	
CCCN(C[C@H](C)CC(C)(C)C)C1CCCC1	1968778380	ALZKOOUKJPUVJV-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCCCC1CC(NC2CCC(C)(C)CC2)C1	1969738307	OIAWLBJMFLSBGH-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CC(C)CN(CC[C@H]1CC1(C)C)c1ccccc1	1970692183	QGBSTMIRAJOSKC-HNNXBMFYSA-N	245.410	4.585	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCC[C@@H](C(C)C)C1	1973163578	GSTHWQJWKPJAPO-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H](NC1CCC(C)(C)CC1)C12CCC(CC1)C2	1973849656	RMZCAOQBKONCHY-CBCUQQMYSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)n1[C@H](C)C1(C)CCCCC1	1975554936	NIUSQPHTAUYWAC-CQSZACIVSA-N	219.372	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)CCC1CC1	1975841405	FGNVSKNQLQFSQT-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](O)CCCC1CCC(CC)CC1	1989808794	XYAGBXWHXGFWJH-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@@H](CC)C1	1990045846	UTKKVONBWYOEID-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cccc2sccc12	1996610523	KAJIDNBJINWQFG-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CCC[C@@H](C)CC1	1997116783	MZYNOOZBWOQTHZ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCC[C@H](CC)CC1	1997117236	PPBHLXGDFBTPMZ-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC[C@H]1CCC=CCCC1	1999995603	GZZRKYWNOWLKKV-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCCC1(C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)CCC1	2000194816	IICCICWKNCRXIY-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](C)(CNCC)C[C@H]1CC=CCC1	2000504652	KBVXDAFOFABAHN-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(CC)(CC)CNC(C)(C)C	2000507703	HCWBGXDMTRNMIK-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[C@@H](C)C1CC1	2000508651	LFBVGLDMFZZBLL-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNCC(C)C)[C@H](C)CCC	2000523077	LRPQCKGVMGTZIY-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(O)[C@@H]1CCC[C@@H](C)C1	2002999137	QNQRKJBBVOELJC-QXSJWSMHSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)C1CCCCCC1	2007623139	RIYCMLWOBAZDTC-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)C1(C)CCC2(CC2)CC1	2007682449	ZSDKVSOPEZGOCV-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@]1(O)CCCCC12CCCC2	2009589552	AVHCKCCGVWCSFV-KZSQQDEKSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@]1(O)C[C@H](C)CC[C@H]1C(C)C	2009594760	SWTJQELSFGIMTG-PMPSAXMXSA-N	238.415	4.556	0	10	BJAE	
C/C=C/CCC[C@]1(CNCCC)CCC[C@@H]1C	2009627296	JNLLASIZMJGOQK-INCBCAAFSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H](C)CCCC	2009629209	RKHRUMDTRGDRJL-IDSJHHPBSA-N	239.447	4.927	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@H]1CCC[C@H](C)C1	2013265156	UETXDOHUSFZXTM-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(CC)c1sc2ccccc2c1C	2014293999	WMMAZAOXNQSVHD-HNNXBMFYSA-N	247.407	4.574	0	10	BJAE	
Cc1c(C(=O)[C@H](C)C(C)C)sc2ccccc12	2014306708	SHRLBZMVJIRPOJ-SNVBAGLBSA-N	246.375	4.685	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)C(C)(CC)CC	2015274702	ZHNGTNADIKTQQG-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)c1cccc2ccsc12	2015279447	XKVGOEDKJXQLQK-FZMZJTMJSA-N	247.407	4.583	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H](C)C(C)C)CCCC1	2015384754	XTNKDQXWNWDNAQ-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
CC(C)C(CCC(=O)C[C@H](C)C1CC1)C(C)C	2015387821	LDFQAFVSPNXONL-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@]1(C)C[C@@H]1C	2016468161	PBPBLXQGHWOKOL-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C(=O)CC1(C(C)C)CCC1)C(C)C	2017124921	XOKUOZSKJMDFJJ-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1(C(C)C)CCC1	2017140038	CHOQCRKBCDKUKA-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
Cc1ccccc1NCC1(C(C)(C)C)CCC1	2017142846	JCFHPWKGAOMEGU-UHFFFAOYSA-N	231.383	4.623	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCCCCN2)CC1	2017734966	STOZXYCYCSHOEF-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC[C@H]1CC[C@H](C)CC1)CNC(C)(C)C	2017737493	KYQWCYLSNILMEQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@]2(C)CCC(=O)C2)CC1	2017775500	COKFCQYSFUEHJJ-ZBCRRDGASA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CC[C@@](C)(NCC2CCCCCCC2)C1	2017879727	XQCZRTJJSIIMPW-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC1(c2csc([C@H]3CCCCC3(C)C)n2)CC1	2018310131	NTKHMWNZQOUFOR-LLVKDONJSA-N	249.423	4.878	0	10	BJAE	
CCCC1(CC(=O)c2ccc(SC)cc2)CC1	2018923020	YNTRAUDFEPNFFD-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC[C@H](CC)CN(CC(C)(C)C)C1CC1	2019195385	VMOCDPQNCZYHGL-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCN(C[C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)(C)C	2019408367	DRCMDGLZUSPQRG-FICVDOATSA-N	239.447	4.569	0	10	BJAE	
CC=C(CC)[C@H](N)C1CC(C)(C)CC(C)(C)C1	2020965450	LLXAGLBWXVGUPQ-AWEZNQCLSA-N	237.431	4.523	0	10	BJAE	
Cc1c(F)cccc1CC1CC(=C2CCC2)C1	2021428022	XFQNSCRBTOPLDV-UHFFFAOYSA-N	230.326	4.567	0	10	BJAE	
CCCC[C@@H](C=C[C@@]1(C)CNC(C)(C)C1)CC	2022134396	KYJJMGUWTDRGRQ-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)C1(C)CCCCCC1	2022556301	DXZYWPIPMMNOCH-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)CC[C@@H]1CC1(C)C	2027824626	DGIPSMQNEWOXEE-CJNGLKHVSA-N	246.394	4.670	0	10	BJAE	
CC1(CCCC(=O)c2cc3ccccc3o2)CC1	2027854802	IQICWDCOPLXUJU-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CC1(C(=O)c2ccc(C3CCCC3)cc2)CCC1	2031745245	KGAISJXPQPJZKQ-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC(C)(C)C[C@@H](N)c1ccc(C2CCCC2)cc1	2031752909	UATXMRIGBDEYRF-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)C(C)(C)C1CCCC1	2032300720	KIYGIHFZSBJGTL-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@H](N)c2cccc(C3CC3)c2)CCCC1	2036352772	SJJBZSSJSHNCNQ-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@@H](N)c1cccc2ccccc12	2037124144	BJIRXIYDAIKCHZ-IIYDPXPESA-N	241.378	4.522	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@H]1CC[C@H]2C[C@@H]2C1	2037130035	KKYUHPQOSBOYDJ-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)[C@@H]1CCC2(CCCC2)C1	2037753935	APFXCGJDADUOLU-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CC12CC2)CC1CCCC1	2038114623	LVSXDYDAHSRKOS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C=C1CCCC[C@]12CCNC2)CC	2038646185	SBIWANHFNXTWQN-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC12CCC(CC1)C2	2039355400	ZWFDXMBXTSKRCW-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCCC(C)(C)CC2)cc1	2039387867	YUXZMTLHXKEYJQ-AWEZNQCLSA-N	244.378	4.784	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](C)C2(C)CCCCC2)c1	2039862144	LLJIICBPJGZJRG-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CCCN[C@@H](C1CC(C)(C)C1)[C@@]1(C)CC=CCC1	2042023792	FNVXRNTZBAIGMA-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2[C@H]3CCC[C@H]2CC3)CC1	2042050850	YFOVCALTQUFXMY-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CC1=CCCCC1)C[C@H]1CCC=CCCC1	2045324455	WCPMVQYRQJDXFC-DOTOQJQBSA-N	247.426	4.731	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@H]2CC23CCCC3)C1	2047061976	JYPVBRNEPZNLIM-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CCCC=CCNC[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047433981	GMLFDMHTXQRQEK-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1[C@H](C[C@@]2(N)CCCCC23CCCCC3)[C@@H]1C	2047558428	UZPOGVROCVTRQR-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H]2CC[C@@H]3CCCN[C@H]3C2)CCCCC1	2048088612	NMAPQHGMZWUCTN-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)CC1[C@@H]2CCCCC[C@@H]12)C1CCC1	2048466355	WVSPVEZVMKWMQG-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C2CC(C(C)(C)C)C2)C1	2048619863	VRVYFGCROLAFEW-MWTAGDMHSA-N	248.410	4.620	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C2=CCCCCC2)C1	2049538962	CZYBFHJDOLMUEM-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C[C@H]2CC=CCC2)C1	2049539833	JPUSXRZMPUDTAR-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CCNCC1(C[C@H]2CCCC3(CC3)C2)CCCC1	2049845223	IEPNFVZYKHOWCZ-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)C[C@H]1CCCC2(CC2)C1	2049859047	SIPDAQIRDALPDA-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CC)c1ccc(C)cc1	2050424563	CDVJBCHEQUBZND-RHSMWYFYSA-N	247.426	4.862	0	10	BJAE	
CC1([C@H](N)CC2[C@@H]3CCC[C@@H]23)CCCCCCC1	2052479951	QHMYYTKILDNGMC-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@@H]1CCCCC12CCC2	2053411954	MBAQSCFCDHNFRI-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H](C)c2cccc(C)c2)CCC1	2055543171	YBTRETHSVFBVPK-DOTOQJQBSA-N	243.394	4.535	0	10	BJAE	
CC(C)[C@]12CC[C@](N)(CCC3CCCCC3)[C@@H]1C2	2058568289	CBLRPRUDBUHGAH-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(N[C@H](C)c2ccc(C)o2)C1	2059398769	XVIPRJSDNZFUDU-WLYUNCDWSA-N	249.398	4.598	0	10	BJAE	
CCCC1CC(N[C@H](C)c2ccc(C)c(C)c2)C1	2059493253	NNAOTMFEFFAUNG-HPUBIQBYSA-N	245.410	4.533	0	10	BJAE	
C[C@@H]1CC=C([C@H](N)C2(C)CCC(C)(C)CC2)CC1	2060926795	TVNVBOCYVLQQJF-HIFRSBDPSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)C2CCC(C)(C)CC2)CC1	2061098534	JOSCWDIJQZPDJI-BBRMVZONSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@](N)(C1=CC[C@@H](C(C)C)CC1)C1CCC1	2061119926	SUTBOLBILDDJIU-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)[C@H]2CC[C@H](CC)CC2)CC1	2061149083	ACWPNZHTEFHTNH-OTRWWLKZSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@@]2(N)CCCCCC23CC3)CC1	2062008226	CFNBLKOVRSGLEH-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	2062652370	OCTMUXSXWQYHEA-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(C(=O)CC2C[C@@H]3CCC[C@H]3C2)C1	2063420773	VKTQYRKJLYSJNJ-JPQBHMHHSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H]1CCCCCC[C@@H]1CC12CCC(CC1)C2	2065336717	FGNVPSFZJYUDBR-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NC[C@@]1([C@@H]2C=CCCC2)CCC1(C)C	2068236950	RPWQAPZRHDSNKW-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)C1(CC2CC2)CCC1	2069513518	CZGABHKXFLBPEJ-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(=O)c1ccccc1C(C)(C)C	2070947496	NCLKJUPISZTTSV-SJCJKPOMSA-N	244.378	4.603	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2[C@H]3CCCCC[C@H]32)CCC1	2071918035	AJNPJXIQNFDNGJ-MIFYACCESA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@]2(C)CC=CCC2)CC1	2072790913	KRLZQBXSSQFUHZ-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H]2C=CCC[C@@H]2C)CC1	2072802803	BLGIPSIFKSZZIG-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C[C@@H](N)C2CC3(CC3)C2)CC1	2072805393	BTILPOASYFBMRK-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
c1cc(NC[C@@]23CCCC[C@H]2C3)cc(C2CC2)c1	2074046301	JQZXYLHTZVQOIR-RDJZCZTQSA-N	241.378	4.556	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1	2074648707	LRDZWGGXKZSLIO-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CCN(c1cccc(C)c1)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2074802383	OEQFERJCTLRLIQ-HLLBOEOZSA-N	245.410	4.646	0	10	BJAE	
N[C@]1(CCCC2CCC2)CCC[C@@H]2CCCC[C@H]21	2081134698	XCIBNYVCDRPXQF-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1=C[C@H]2CC[C@H]1C2	2081677004	GKBGOQPXUGVZEJ-YQQAZPJKSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC[C@H]1C[C@H]1C1CC1	2081791069	BRDLMWUGJPYQFQ-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)C1	2082983905	WTHCUFGVZIBMFF-HOSILWTGSA-N	248.410	4.598	0	10	BJAE	
CCC1C[C@@H]2CC[C@H](C1)N2CCC1=CCCCC1	2084414865	GMWQJOUABLIDMW-ZXFUBFMLSA-N	247.426	4.530	0	10	BJAE	
CCC[C@](C)(CCC(C)C)CN[C@H](C)CC	2212591905	GFBCAHMNFWEVFD-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC[C@](O)(CCCCCCC1CC1)[C@H]1C[C@H]1C	2213577229	ZMNNXLSLXJCNAU-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](N)(CCCCC1CC1)[C@H]1CC1(C)C	2214565331	MCLREGGMZBOHBL-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCCC1CCC(C)(CN[C@@H](C)CC)CC1	2217155829	GEKKYCWSRQNQRZ-FHERZECASA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H]1N1CCCC12CCC(C)(C)CC2	2218015223	PZLPRMMDDRMEJO-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CNC[C@]1(CCCCC2CC2)CCCC12CCC2	2220027952	NKKWAEVHBXZYIX-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CN[C@H]([C@@H]1CCCC[C@@H]1C)[C@@]1(C)CC=C(C)CC1	2221615946	OGHNLQDPLYWEPR-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@H]1CCC[C@@H](C)CC1	2221932805	QLSDKJMQIHMXTJ-DOMZBBRYSA-N	244.378	4.703	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](NCC2=CCCCC2)C1	2222257934	LNXZIOKUXMUUOA-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC(=O)c1cccc2ccoc12)C(C)(C)C	2224157812	HKBKLTUPUFVESS-NSHDSACASA-N	244.334	4.688	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CCCCCC(C)C	2244782008	LEDGYXXRVIBXCO-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CC1CC(C)(CC2(O)CCCCCCCC2)C1	2246454226	MFTOVKKNWGKGHD-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@](CC)(CNC)CC1(C)CC(C)C1	2246531419	HPGQFWFPZDQIEC-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CCCC1(C(=O)CC[C@@H]2CCC[C@@H](C)C2)CC1	2246661881	BVTHTGNOENNVTK-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)CCCC(F)F)C1	2246665363	KNZIXSZLRFOGFG-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)[C@@H](N)CC1CC(CC(C)(C)C)C1	2251581699	FCXHITWBETXNOR-PIMMBPRGSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)CC2=CCCCC2)C(=O)C1	2255135400	FDVSFODBVTUQJS-HIFRSBDPSA-N	248.410	4.908	0	10	BJAE	
N[C@H](CCC[C@H]1CCCC12CC2)CC1CCCC1	2255265523	DSEWBGPQWHHMNW-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC(C)(CC(=O)CC[C@H]1CCCC12CC2)C1CC1	2255315842	RIHDKZJDGCRTLZ-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1CCCC12CC2	2257241089	NFXVFXUFSVUDKV-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCc1cc(NC[C@]23CCC[C@H]2CC3)ccc1C	2260592519	QUEUZAMXGLKUQQ-DOTOQJQBSA-N	243.394	4.550	0	10	BJAE	
CCCNCC1(C[C@@]23CCCC[C@@H]2CC3)CCC1	2260659604	XMTQHIMTIKNWGP-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC1=CC[C@H](N[C@H]2CC(C)(C)CCC2(C)C)CC1	2261399523	BTLLXJHYSVGKSJ-GJZGRUSLSA-N	249.442	4.680	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC1CCC(C)CC1	2300473549	ZWDONJNWCBCDJV-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)C[C@@H]1CCC(CC)CC	2300677715	CLFFZAYSSZNZDB-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CC[C@@H]1CCC(CC)CC	2300686532	RUZYPJOBZSKHBZ-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CC(=CCC[C@H](O)C(C)(C)C)CCCC(C)C	2300870502	VCMVDIIVIBCWBQ-HNNXBMFYSA-N	240.431	4.946	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CCCCC2(C)C)C1	2302689457	HAILLHZHMVDSKM-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@H]1CC[C@H]1C(C)(C)C	2303445358	QIOWXAGIPJPDPK-MELADBBJSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCC(C)=C(C)C1	2303459601	SWDBTLSMXFPZKW-RCBQFDQVSA-N	237.431	4.680	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNCC)CCC(C)=C(C)C1	2303579733	PSTKSWVKAJCJIY-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CC[C@H](CCCCC(=O)C(C)(C)C)C1	2304426001	QRNHDCOHKBTEOQ-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@@H]1c1nc([C@@H]2CC23CCC3)cs1	2304508009	IWARCXQUHBIYDH-MNOVXSKESA-N	247.407	4.704	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc(C2(C)CCCCCC2)n1	2307694767	OMYXUIFCWNJXFQ-VXGBXAGGSA-N	249.423	4.878	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H]1CC[C@@H](C(C)C)C1	2307909861	WAGRZSCJCONXLJ-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC1(N)C[C@@H]2CCCCC[C@H]2C1	2310427378	ZYRBAEITJQKIIS-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)C[C@@H]2C[C@H]2C2CC2)C1	2312671018	UZLANRGHTLUSQL-LBEHMCEESA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC=C(C)CC)c1ccccc1C	2316555653	BBUFMPDXYKTNAB-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
C1CCCC(C[C@@H]2CN[C@H]3CCCC[C@@H]3C2)CC1	2316938749	RXLNYIDNBZYASY-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1CC([C@@H](C)Nc2cc(F)ccc2C(C)C)C1	2317931343	GXILIGYDQMZXMH-OTTFEQOBSA-N	249.373	4.796	0	10	BJAE	
CC(=CCCC1=CCCCC1)C[C@H]1CCCCN1	2318547360	ARGAUNCCKIZDLC-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
CC1(C)CC(CCCC2=CCCCC2)=C[C@@H](O)C1	2318566299	WCKREPJJUOZBLS-MRXNPFEDSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CCCCC23CCC3)C1	2319031204	QOMMDBHYOYYWQZ-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)C2(CC3CCC3)CC2)C1	2319033918	GZDJJZHORBTBKG-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@@]1(C[C@@H]2CCC(C)(C)C2)C=CCC1	2319289750	XLORCYFSMUXLIW-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)CC[C@@H]2CCCC23CC3)C1	2319308832	OASNNIYMHMTSQX-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@](CNC(C)C)([C@@H]2CC2(C)C)CC1	2320265774	MWOFTFSRGBZGEB-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCNCC1(C[C@@H]2CCC(C)=C(C)C2)CCCC1	2320329447	HXLPVQQYWATNJC-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC[C@H](CCNC[C@@H]2C=CCCCC2)C1	2321614759	YSWGLZVGHOJKLO-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cccc2ccccc12	20548731	SXDOBYLHNAEIFN-OLZOCXBDSA-N	227.351	4.686	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H](C)CCC(C)C	21012301	BVGFPTIIRJPKFX-NSHDSACASA-N	239.790	4.885	0	10	BJAE	
CCCC[C@H](NCC)c1ccc(CC(C)C)cc1	35510525	PRBXGRYYHKNBPB-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H](c1ccccc1)C1CC1	37075168	ZOCKNAGPHHMUFK-WMLDXEAASA-N	245.410	4.552	0	10	BJAE	
CC[C@H](C)N[C@H](CC(C)(C)C)c1ccccc1	37128548	JGTALXWAFKYOCC-DZGCQCFKSA-N	233.399	4.552	0	10	BJAE	
CCCCC(=O)c1ccc(SC(C)C)cc1	58016009	SUNXSTQGNJNQHV-UHFFFAOYSA-N	236.380	4.560	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@@H](N)C(C)(C)C	70743277	KCKFZUSSXAGNHU-ZIAGYGMSSA-N	227.436	4.747	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CCC[C@@H](CC)C2)cc1	71154555	WVTMUGPECNHXNM-ZBFHGGJFSA-N	244.378	4.648	0	10	BJAE	
CC[C@H]1CCC[C@@H](CCC(=O)c2ccccc2)C1	80385225	LZIWDEUYPMPMGN-GJZGRUSLSA-N	244.378	4.866	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@@H](C3CC3)C2)cc1	81624197	CLTBHSUUGBAPMK-WBVHZDCISA-N	243.394	4.630	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CC[C@H](C)C1	83784849	QBFYKLNNOIYFAX-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CCC[C@H](Nc2ccsc2)CC1	85528194	XRRAEVQBGIRWDU-NSHDSACASA-N	223.385	4.519	0	10	BJAE	
CCCC1CCC([C@@H](O)C[C@@H](C)CCC)CC1	87961256	FQUANQXGQJMLSL-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](CC[C@H](C)N)c1c(C)c(C)cc(C)c1C	107657851	PTTWJSQWHDZCQZ-BBRMVZONSA-N	247.426	4.541	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2ccc(N)c(F)c2)cc1	109774238	OMKGRLHRLCTUSZ-LLVKDONJSA-N	243.325	4.588	0	10	BJAE	
CCCCC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1NC	111235571	YOEYHHBPNOUCCV-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)CCC1CCCC1	122992177	YUKMICWOELBLPZ-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NC)c1cc(C)c(C)s1	124796938	HEXKKPKSUNQVAT-ZDUSSCGKSA-N	239.428	4.596	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CCC2CCCC2)cc1C	125400864	CEUWUGOKHWTXCE-KRWDZBQOSA-N	246.394	4.616	0	10	BJAE	
N#CCCc1ccc(C2CCCCC2)c(Cl)c1	142466760	KCWIRRTZHAOERN-UHFFFAOYSA-N	247.769	4.844	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCCCC(C)C	147388503	PAJUCWMLWCJSRG-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H]1CC[C@H](C)C1	148417750	PQRXAXRGGRRCTM-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@@H]1CC(CC)CC	150106974	UJONYAIKLWGYRS-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C1CCCCCCC1	159095387	LXWPPMKOUXPNFJ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C(CC)CC	161436582	NKTQNKWQZYBDNK-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(C=O)ccc1-c1ccc(C(C)C)cc1	161629794	XJYQDZHDLUBHEX-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cccc(C(C)C)c1	163770433	HOVMVPLOZFFEJU-XJKSGUPXSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)c1ccsc1	165805849	SYVGAZOESLOVAF-AWEZNQCLSA-N	239.428	4.615	0	10	BJAE	
CC1CCC(n2ccc3c(F)cccc32)CC1	224431943	SPNBUYCRUROZDC-UHFFFAOYSA-N	231.314	4.532	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCCCC1CCCC1	225059641	FXHNFMRWYOKRLI-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](N)CCC(C)C	229020407	ZEPVTPJXEFGSNB-BHYGNILZSA-N	247.426	4.580	0	10	BJAE	
CN[C@@H](CCCC(C)C)C[C@@H](C)CC(C)(C)C	229179971	CHXVQLHXGRXRSA-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(C)ccc1Cl	232230507	GVECSYDVFCSQDS-LLVKDONJSA-N	225.763	4.639	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2ccc(C)c(C)c2)C1	235403304	DPPCZMVTNZSPRU-BLLLJJGKSA-N	243.394	4.708	0	10	BJAE	
Cc1ccc2[nH]cc([C@@H](C)C(C)(C)C)c2c1	235535703	JQIYXVAISVVOKI-LLVKDONJSA-N	215.340	4.626	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)c1csc(Cl)c1	300353697	NWDBZBSKNPDBGW-ZJUUUORDSA-N	245.819	4.631	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](N)CCCC(C)(C)C	302358165	XJTGHNGCMCOEPO-HOTGVXAUSA-N	247.426	4.724	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)C)C1(C)CCCCC1	302379686	PJQVJSPNFKLLLW-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cccc2ccsc12	302482302	YUOIKYHSTZVGRJ-FZMZJTMJSA-N	248.391	4.761	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(O)CCC1CCCC1	305897513	QFGBMFZZNSYNBC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@@H](C)CC(C)C	305926781	IYTCAPMGZIMHSN-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)ccc1C	306031958	QABDHBDCDPIEHF-DUVNUKRYSA-N	245.410	4.794	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cc2cccc(C)c2o1	306069492	ZTHWQQRZXNRGLY-XHDPSFHLSA-N	246.350	4.601	0	10	BJAE	
CSc1c(Cl)ccc2scc(Cl)c12	306604920	ZQWPPZCGGQFMCR-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)CCCCF)CC1	310275241	FKROTYUDHKADFE-UHFFFAOYSA-N	242.378	4.548	0	10	BJAE	
CN[C@H](CC1=CCCCC1)CC1CCC(C)CC1	310797580	WMEIVSGVUCYNKK-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CN[C@H](C)CCC(C)(C)C)c1ccccc1	310873996	SAIZFEBWLHHDBB-HUUCEWRRSA-N	247.426	4.595	0	10	BJAE	
CCC[C@@H](C)C[C@@](O)(CCC)C1CCCC1	313409182	MPOVUSPYDBKVDG-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC(C)CNC[C@@]1(CC2CCCC2)CC=CCC1	317925476	UINXDYTXLINAFD-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H]1CCCc2ccccc2C1=O	319742161	SLZLZLRQPWCJKH-KCQAQPDRSA-N	244.378	4.504	0	10	BJAE	
CCc1ccccc1[C@@H](N)C[C@H](C)CC(C)(C)C	381365284	OXFLVEJGHASCRR-BBRMVZONSA-N	247.426	4.711	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H]1CCC[C@@H](C)C1	383207457	BHJBBOOBTDTYMP-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CCCC/C=C(/CCC)c1ccc(O)cc1	383716415	VBXMBHGHARBVNO-JYRVWZFOSA-N	218.340	4.766	0	10	BJAE	
Clc1cccc(NC(C2CCC2)C2CCC2)c1	383995216	GKFFQABGAACXPX-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@H](C)c1ccccc1	384825933	XCYBVZLGPFLQKX-RDJZCZTQSA-N	247.426	4.739	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CCC2=CCCCC2)C1	385141617	INUCRMJYQGDWMD-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C(C(C)C)C(C)C)cc1	385413512	UAAFNPVNOPHZGW-QGZVFWFLSA-N	248.410	4.772	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)CC1CCCCCC1	385868872	IWAQMBBSIXSGHF-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@H]2CC23CCCC3)C1	386883583	IWGVBHLGCPAWPU-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)CNCCC(C)(C)C1CC1	392832442	FZHUNOPIMSROKE-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](NCC[C@@H](C)CC)c1cccs1	394466207	WCUDLZSSXCRSIY-STQMWFEESA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCC12CCC2	394791937	XHOXJBYUGCOEEA-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCC[C@](O)(CC1CCCCC1)[C@@H]1CC1(C)C	397592651	CLCQJOVOGVGLFT-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](Nc1ccccc1SC)[C@@H]1CC1(C)C	397627096	UJBSYKHVLKPMLL-RYUDHWBXSA-N	249.423	4.645	0	10	BJAE	
C[C@@H](C[C@@H](N)CCC1CCCCC1)C1CCC1	398724076	QTWSDGLCGOCMJA-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@H]([C@@H](N)c1ccc(C(C)(C)C)cc1)C(C)(C)C	399182081	PAQRNRKRMJOOJM-IUODEOHRSA-N	247.426	4.666	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@@H](CC)CC(C)C	405741208	PHGXHIZZNTULSK-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC(C)(C)C1CC1	405766588	JEWLSYHGUGBJRV-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@@H](C)C(C)(C)C	688408843	VYNBMWIXBQKDEQ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@H]2CCCC2(C)C)c1	688916981	TZVZRIROVNGHPN-CVEARBPZSA-N	245.410	4.636	0	10	BJAE	
CCc1ccc(CC)c(NCCC(C)(C)C)c1	689596814	PFIXMAHTHYAMGE-UHFFFAOYSA-N	233.399	4.660	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)CCC12CCCCC2	694427857	DTRYAHARQHODBE-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](CC(C)(C)CC)NC)C1	696251620	ZAYJHOAJYAOVCI-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](CCC(C)(C)CC)NC)C1	696802561	MEHGAARZHSZTCS-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(CC)c1NCCC=C(C)C	697748649	VKSFARAFANWFGI-UHFFFAOYSA-N	231.383	4.580	0	10	BJAE	
CCNC[C@]1(CCC=C(C)C)CCC[C@H](C)C1	698032117	JQEAGYRUADWPPP-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc2ccn([C@H]3CCCC[C@H]3C)c2c1	704954092	VZPFIVLTDHZSDO-HIFRSBDPSA-N	227.351	4.701	0	10	BJAE	
C1CCCC(CCN[C@@H]2CC[C@@H]3CCC[C@H]32)CC1	707782198	ZQJKVWXFJGEGFO-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C[C@H](CC1=CCCC1)NC)C(C)(C)C	711197882	ZQZYSLVTWSSDCL-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@H](C1CCCC1)C1CCC1	711830017	BHOPVKACLGPHHS-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)CC(C)(C)C(C)C	713176215	RRAAUPKQPCKZPU-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](CC(C)(C)C(C)C)C1(C)CCCCC1	713176304	WACINIWBRHRHOY-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CCN[C@H](CC)c1ccc(Cl)cc1	713503212	HKYVUYUFLBHBCL-IYKSTZQJSA-N	249.785	4.513	0	10	BJAE	
C=C/C=C/CC[C@](O)(CC)CC1CCCCC1	713672601	IIUYELGZOYQYPR-SQRWCISFSA-N	236.399	4.620	0	10	BJAE	
CC(C)c1ccccc1OCC[C@@H]1C[C@H]1C1CC1	714774565	BHOHJQGQUHSECH-ZBFHGGJFSA-N	244.378	4.625	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1csc(C)c1C	718778142	RIJDOCMGYMAGIR-UHFFFAOYSA-N	236.380	4.684	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1CCCC2(CC2)C1	719259749	KYMIVICFPOUGFW-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
C=C/C=C\CCN1CCC[C@@H]1CC1CCCCC1	1459400989	SQOLUEJDVIVCAQ-CWIOURORSA-N	247.426	4.554	0	10	BJAE	
c1ccc2c(c1)CC[C@@H]2Nc1ccccc1C1CC1	1893216537	XCYVZWBZEOIHJM-SFHVURJKSA-N	249.357	4.663	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1CCC(C)(C)C1	1902292610	IIJNHISQZKPJBK-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC[C@](C)(CNC)C[C@@H](CC)CCC	1905308616	STXOZZKPQGOGIU-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1CCCCCC1	1905436266	YNSDDJXRXOHOQD-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H](CCC)C(C)C	1905453922	NONMDXJKWZSNKN-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
CCC(C)(C)C1CCC(NCC=CC2CC2)CC1	1911835218	NOKVMKLQXFNDKT-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCNCCC=C(C)c1cccc(C(C)C)c1	1912040209	MWTGNBTUNKWGKZ-UHFFFAOYSA-N	245.410	4.603	0	10	BJAE	
O=C(C[C@H]1C=CCCC1)C1CC2(CCCCC2)C1	1912648749	TVKMUTBJWVDYIF-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
CCCC[C@@](O)(CC)c1cc2cccc(C)c2o1	1919476660	FTAUFZWPAPIEBY-INIZCTEOSA-N	246.350	4.529	0	10	BJAE	
CCC[C@H](C)C[C@](O)(CC(C)C)c1ccccc1	1920030198	ROAOZNNOUBSFSU-DOTOQJQBSA-N	248.410	4.747	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@H]1CCC[C@@H](CC)C1	1920196198	HDMDPBVLAGYRIO-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)(CC[C@@H]1CC1(C)C)C1CCCC1	1921566121	YPWSLQUYPYFUDK-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)CC1=CCCCC1	1921566255	ZPKFGKDYMUQPPC-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCOc1ccccc1C[C@H]1C=CCCCC1	1925842649	CJHSWONLTBBNEK-HNNXBMFYSA-N	244.378	4.764	0	10	BJAE	
CCC(CC)CCN[C@H](CC)c1ccc(C)cc1	1926171763	AUYYYJZIOKAWFL-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
Cc1ccc(C)c(Sc2cc(Cl)ccn2)c1	1935594491	LVIZTXADTPFZQP-UHFFFAOYSA-N	249.766	4.503	0	10	BJAE	
Cc1ccc(O[C@H]2CCCC[C@@H]2C)c(Cl)c1	1936612104	DLDQYBDCTUKUFG-AAEUAGOBSA-N	238.758	4.606	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H](C)CCC(C)C	1937162826	FDJAZQQOGULRML-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H]1CCC[C@H](C)CC1	1939903032	JMQUHBKWDWPGIQ-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](C)C(C(C)C)C(C)C	1940246907	VOYDYBAVNAEZNB-KGLIPLIRSA-N	241.463	4.717	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)CC1(C)CCCC1	1940253648	QAFDLAZAEIYDOK-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](O)CCC1CCCCC1	1940856997	SJLHEDVDVARKNI-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@H](CCCC1(C)CC1)NC	1940865380	UIZUCSGMLTWCGK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C(=O)C1CCC(CC)CC1)C(C)C	1941264583	MTOAVTFOOXNZRE-YMAMQOFZSA-N	238.415	4.844	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CCC2CCC2)CC1	1941472087	KBFJXVDFEKZJNJ-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
Oc1ccc(Cl)cc1-c1cccc(C2CC2)c1	1941533542	YTRDLOQFXRQGMZ-UHFFFAOYSA-N	244.721	4.590	0	10	BJAE	
CCCC[C@H](CCC)NCCCCCC1CC1	1941580898	FGHVXYBKACWKCF-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1C[C@H]2CCC[C@@H]21	1941712902	SVTULQBNAZFPCJ-QLFBSQMISA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CC(C)(C)CC2(CC2)C1	1943082752	WPLBIAXSRLNAJT-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cccc2sccc12	1945956318	FRTLVFLZAXOZIN-ABAIWWIYSA-N	247.407	4.727	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCC[C@H](F)C1	1946957976	FYNUWZNGZSLZPN-KBPBESRZSA-N	242.378	4.690	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCC[C@H](C(C)C)C1	1949046897	JRVIAURVMORYPC-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1CC2(C1)CC(C)(C)C2	1950935549	KEUPVTIWQYJRRO-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C1(CC)CCC1	1951235356	SPTAQTQLAGFLOK-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cc(Cl)sc1C	1958154798	PGIWRDAXQVYRTL-NSHDSACASA-N	246.803	4.570	0	10	BJAE	
CC1(C)CCC[C@H](c2csc(Cl)c2N)C1	1960988585	RFAFOTUOTYOKKJ-QMMMGPOBSA-N	243.803	4.668	0	10	BJAE	
Clc1ccc(NCC2[C@@H]3CCCCC[C@@H]23)cc1	1968265363	JGARUGSFRBJSRW-ZIAGYGMSSA-N	249.785	4.578	0	10	BJAE	
CCC1(CC)CCC(N[C@H](C)c2ccco2)CC1	1968838735	GOKMQYUQOAQURB-CYBMUJFWSA-N	249.398	4.679	0	10	BJAE	
CC1(CN2CCC[C@H]2C2CCCC2)CCCCC1	1968959342	CFUJWWRNFQQPRF-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CC[C@H](COc2cccc3sccc23)C1	1969667016	KIWIIUFDSUMDTD-RYUDHWBXSA-N	246.375	4.716	0	10	BJAE	
CCCC[C@@H](CCC)NC1CC(CC)(CC)C1	1971389284	KQSJJABHIZGGID-CQSZACIVSA-N	239.447	4.904	0	10	BJAE	
CC[C@H](NC[C@@H](CC)C(C)C)c1cccc(C)c1	1973388430	XCHMPENZFLAFAZ-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CCC1(N[C@H](C)CCC(C)C)CCCCC1	1975397563	PIMJLXUBFPQBQG-CQSZACIVSA-N	225.420	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](CCC=C(C)C)NCC	1976011038	QYQHYUVWXRRRPN-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1cc(C(F)F)cs1	1977079175	RAHXRSXUQVTGPO-SECBINFHSA-N	247.354	4.512	0	10	BJAE	
CCC[C@@H](C)CC[C@@H](NCC)c1cccs1	1980692486	NCOWUPUNRNKBIX-CHWSQXEVSA-N	239.428	4.615	0	10	BJAE	
CC(C)=CCC1(O)CCCCCCCCC1	1981004871	OBZURKUPZDUAIB-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
COC[C@@H]1CC[C@@H](CCCC(C)=C(C)C)C1	1985384037	HNISVRAZMHAHSB-HUUCEWRRSA-N	224.388	4.576	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@H](C)CC(C)C	1986936598	FVZUFXISONQLOY-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
CCCC(C)(C)C(=O)CC(C(C)C)C(C)C	1988296198	UIZHLGCPHZLOLF-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CC(C)=C(C)C[C@@H]1CCC(C)(C)CCC1=O	1989652512	XDEIIULRYGPUDC-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCCCCc1ccc([C@@H](N)[C@H](C)CC)s1	1991771773	LWCNBXNGLUIHSJ-RISCZKNCSA-N	239.428	4.527	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)C1(C)CCCCC1	1995986043	MIIOSNHBOQTHQX-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CC1CCC([C@](C)(O)C[C@H](C)C(C)(C)C)CC1	1996548949	SVENVGFXTMXZKR-NQKKVCCDSA-N	240.431	4.636	0	10	BJAE	
CC1CCC([C@](C)(N)CCC2CCCC2)CC1	1996593305	GIKSAYCOLQLRRO-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2=CCCC2)CC1	1997104316	JPEBBPIQYANQAT-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)C1CC(C)C1	1998649541	IZPODFVBEUBCBV-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCC=CCCC2)s1	1999979625	SODYWAZKXSTQRC-ZDUSSCGKSA-N	248.391	4.766	0	10	BJAE	
CCC(CC)[C@H](C[C@H]1CCC=CCCC1)NC	1999990829	MUCPRXNFNHRWPB-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)C[C@H]1CCC=CCCC1	1999997208	WCXGBLKJSZYEIG-XHSDSOJGSA-N	237.431	4.536	0	10	BJAE	
CC1CCC(C(=O)C2(C)CCCCCC2)CC1	2000219820	XLJXREUEIGIGBP-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
NC1(C2CCCCCC2)CCCCCCCC1	2003098023	JAQPAUDJRUIWLL-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CCC1(C[C@@H]2CCCCCCC[C@@H]2O)CCC1	2003119443	VKMPJAWQPCHCAC-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
O=C(CC[C@H]1CCC=CCCC1)c1cccs1	2003690417	LRJKKRRNFBCKEI-ZDUSSCGKSA-N	248.391	4.848	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H]1CCCCC1(C)C	2004226052	GHPATUHOLSKFIL-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(=O)C1(C)CCCCCC1)C1CCC1	2004942794	WZCQIMCEKKXLGL-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@H](N)[C@@H]1CCCCC12CCC2	2005592048	MUKNKZQRJUCNGW-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@@H]1CCC[C@@H]1C	2006755702	SBIXPWQXBIFMPW-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C1(C)CCC(C)CC1	2007692239	OTPNJOXOQMEJBR-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
N[C@@H](CC=C1CCCCC1)c1ccc(Cl)cc1	2007936000	ZYZXCQRFFFENDA-HNNXBMFYSA-N	249.785	4.620	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C(C)(CC)CC	2009629752	UPRJMAOQQRCERY-WGPYJDKQSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2012002087	JRSQOXTXSCWDNV-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](NC)C12CCCC1CCC2	2012119516	GFHQMULEFGWCGM-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC(C)(C)CN[C@H](C)C1(C)CCCC1	2014335283	SLXAUGWVAUZNBV-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC1(C)C)C1(C)CCCC1	2014341267	XUXAQHMYZFVVFJ-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCC1(C)C)C1CCCCC1	2014850128	SRQDVGCFXCSPKY-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(CC(=O)[C@@H]1CCCC[C@H]1C)C(C)C	2015387538	QXKSXLXSQAOVJA-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C[C@]1(C)C[C@@H]1C	2016389250	BHNIPTNYSUSUIP-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CC[C@@H]1C1CCC1	2017044801	UGNSBIVVVXKXIR-ZIAGYGMSSA-N	249.785	4.639	0	10	BJAE	
CCCC(O)(CCC)CC1(C(C)(C)C)CCC1	2017115300	WXQMXMDVHBUIGR-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CN[C@@H](CCCC(C)C)C1(C(C)(C)C)CCC1	2017130691	GEYVJKZYOJWJSF-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)[C@@]1(O)CCC[C@H](C(C)(C)C)CC1	2017485177	QQOZCUXVGAVOMF-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCCC1CCC(C[C@]2(O)CCC[C@H]2C)CC1	2017647521	GFHBOFQAGFTLNU-PRLABOORSA-N	238.415	4.534	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1CC[C@H](CC)CC1	2017653327	RESXCHAFMLBWMY-SHTZXODSSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](CC)[C@@H](C)NC)CC1	2017722213	OMBQUJMAQQJRDX-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC[C@H]1CC[C@H](CCC)CC1)NC	2017731821	VZTNGKUUHPTJPX-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC1(C[C@H](NC)C2(C)CCCCCC2)CC1	2018996281	LGMQWFFCLIBXFW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)N(C)CC1CCC(CC)CC1	2019445599	YENKHKYTFHETKH-UYSNPLJNSA-N	239.447	4.713	0	10	BJAE	
CCCN(C1CCCCCC1)[C@H](C)CC(C)C	2020501182	JVAOZOAXLSPIQJ-OAHLLOKOSA-N	239.447	4.856	0	10	BJAE	
C[C@@H](CCCCCC1CC1)[C@H]1CC[C@@H](N)CC1	2023552628	XHEQJNLJODRTLI-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)C1CC(C)(C)C1	2026170507	QCTDMHQJQPPQRJ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)N[C@@H](C)[C@@H](C)CCC=Cc1ccccc1	2027000819	XXIJZHFWWKMUIV-HOTGVXAUSA-N	245.410	4.503	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H]1CCC12CCCCC2	2027023191	CBNKUAAIZMKPMI-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CCC2(C)CC2)c1C	2027733617	ZYNPAYHXHCXTOF-UHFFFAOYSA-N	244.378	4.683	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C1(C)CC(C)(C)C1	2029107094	XBGNOLRWBRJZOP-OAHLLOKOSA-N	249.442	4.703	0	10	BJAE	
Cc1ccc([C@@](C)(N)[C@@H](C)CCC(C)C)cc1C	2029824742	NFYUNXNUQCPBHV-RDJZCZTQSA-N	247.426	4.550	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@@H]1CC12CCC2	2032130774	COUDGFRDAHHBBY-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)C(C)(C)C(C)C	2032339708	SDQVTKZIXBZPEN-INIZCTEOSA-N	247.426	4.753	0	10	BJAE	
C1=CCC2(CCCC2)N(CCCCCC2CC2)C1	2032663326	JDXVPTSSODDVJZ-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
C1CCC(CNC2(C3CCCCC3)CCC2)CC1	2033057866	YXEPLBLYNYYRSY-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H](CC1CCCC1)NC1C[C@@H]2CCCC[C@H]2C1	2034150266	PKZFQAUNJDXCPP-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)c1	2034262651	KJVUJYDDLWSSTL-HYVNUMGLSA-N	243.394	4.630	0	10	BJAE	
CCC(CC)C[C@@H](NC)c1cccc(C2CC2)c1	2036358093	KRVXINXRFWXKMJ-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CC(C)[C@H]1CC[C@H](NCCC2=CCCCC2)CC1	2036626380	SDQBPOXWYYKMLH-QAQDUYKDSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@H]1CCC[C@@H](C)C1	2037105346	ZSKUTJQNZYGAPF-AESZEHBQSA-N	249.442	4.667	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@H]1C=CCCCC1	2037271337	ARYRMMYEFYOTQN-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCC1)C1(CC)CCC1	2039722056	LSNRTCNIHFZEBM-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)[C@@]12CC[C@@H]1C2	2039752074	MNLDGTIIXMNDFQ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC([C@@]2(N)CCCC3(CCC3)C2)C[C@H](C)C1	2041289684	KMFXLUBHGVGXNP-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@H]1N[C@@H](c1ccccc1)C(C)(C)C	2043675033	CQJYHATXGHJLJX-KBMXLJTQSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CC[C@H]1N[C@@H](C)c1ccc(C(C)C)cc1	2043678121	ZBTNFYIWZBUNRV-JJRVBVJISA-N	245.410	4.649	0	10	BJAE	
CCc1occ(C)c1C(=O)[C@@H]1CCCC(C)(C)C1	2045458671	VWMSEEQIVMSBAH-GFCCVEGCSA-N	248.366	4.550	0	10	BJAE	
C[C@@H](C[C@]1(N)C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2046480392	RTOCCBYHONXDNG-LLLHUVSDSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCN1CCCC12CCCCCC2	2046561953	LTWYKTVGAHMPNC-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
CC(C)(C[C@H](N)C[C@@H]1CC12CCCCC2)C1CC1	2047015444	IWJWESWIEGKIAH-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@@H]1CC12CCCCC2	2047061079	CCGDHKGJPQUIDD-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC1(CNC2[C@H]3CCCCC[C@H]23)CCCCCC1	2048386644	FLLGIJPNRLICJO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048468570	IOAJQLROJVHXMY-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CCC([C@](C)(N)CC2CC=CC2)CC1	2049414407	HHUNUYHCNGWEEG-OFLPRAFFSA-N	249.442	4.523	0	10	BJAE	
Cc1ccc(C2(O)CCCCCCCC2)c(C)c1	2049697795	PTADMZUPBKRXDD-UHFFFAOYSA-N	246.394	4.625	0	10	BJAE	
CN[C@@H](CCC1CCC1)C[C@@H]1CCCC2(CC2)C1	2049856263	OCTVRNKFQKUZDV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](C2(N)C3CCCC2CCC3)C1	2050013668	JGUQAFJNJHHCPG-UKEPKTAJSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](N)c1cccc(C)c1	2050464684	OWWSAQWBXMILRY-WBVHZDCISA-N	247.426	4.991	0	10	BJAE	
O=C(CCC1CCC=CCC1)c1cccc(F)c1	2050494330	IJQURMFOKPYXEV-UHFFFAOYSA-N	246.325	4.535	0	10	BJAE	
CCN[C@@H](CC=C(C)C)c1ccccc1C(C)C	2051404387	RCPFWBSOIHRWIY-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)[C@@H]2CCCCC23CCC3)C1	2053359163	MZIQAGWLUSLSAG-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC1CCC1)[C@@H]1CCCCC12CCC2	2053408273	ULMBDCISWZMURY-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2[C@@H](C)[C@@H](C)CC[C@H]2C)CCC1	2055543104	XSXQMPOUJLPWHN-GMBUGEKQSA-N	249.442	4.536	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC(C)=C1C)[C@@H]1CC1(C)C	2055549007	HGQANDIAGZEACO-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC[C@@H](C2CC3(CCC(N)CC3)C2)C1	2056620884	LDWBWPURCAFOSC-HOUHCIJLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC1CC(CC)C1)c1ccco1	2056639396	GGQHUZALYYQFOK-YMAMQOFZSA-N	249.398	4.537	0	10	BJAE	
O[C@H](C=C1CCCCC1)[C@]12CCCC[C@@H]1CCC2	2056863736	UWPLGRBTKJUZCF-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
CCC[C@]1(C2CC(C3CCC3)C2)CCCCCN1	2057496064	SZBGPUGPLCXDJD-OFLPRAFFSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C1=CC[C@@H](C)CC1	2060925196	JJHPKQZJSBDGDZ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1=CC[C@@H](C(C)C)CC1)C1(C)CCCC1	2061091676	KTPRLNVQZYSCFF-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@](N)(CC)C2CCCCC2)CC1	2061111422	ULRIHJKNDHPYMB-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@H]1CC=C([C@](C)(N)CC2CCCC2)CC1	2061114021	UUSMPRODCPGHDB-DOTOQJQBSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC[C@]23CCC[C@H]2C3)C1	2061606367	LCTAELAXLMQVSQ-AIANPOQGSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@]2(CNCC)CC=CCC2)CCC1	2069339681	LYFCJLFOJJGRSI-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](NCC1(CC2CCC2)CC1)C1CCCC1	2069580034	FTYNEPXYOBQHKH-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@@H]1CCCC2(CC2)C1	2070406891	CNZBPSANZFQLSO-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)c1ccc(C(C)(C)C)cc1	2070948949	XGSUTELDTIMECZ-PXAZEXFGSA-N	244.378	4.603	0	10	BJAE	
CC(C)(CCF)CNc1ccc2ccccc2c1	2071351960	VJVUCNQYSOWFPL-UHFFFAOYSA-N	245.341	4.638	0	10	BJAE	
CC1(C)CCC=C[C@@H]1NCC1(C(C)(C)C)CCC1	2071942173	BBUZZWVVWYZZLB-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1(C(C)C)CCC1)c1ccco1	2071944717	ZLNKDKROWHHFKE-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
CCC1CCC(C[C@]2(N)CC[C@H]3CC[C@H]2C3)CC1	2072803361	HKGGFABKTFUBLN-QTPCEWDRSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H]2C[C@@H](N)CC3(CCC3)C2)CC1	2072821655	NOEASVUZWTULBF-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)N([C@@H](C)c2ccccc2)C1	2074792765	LQUOSMDSENVMND-HLLBOEOZSA-N	245.410	4.504	0	10	BJAE	
C1=CC[C@H](CN2CCCC23CCCCCC3)CC1	2075168396	QZODKBCMAXQXDE-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C[C@H]1C1CCCCCC1)C1CC1	2079852639	RRXHTKOBTDAXML-MAZHCROVSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(-c2cc(Cl)cs2)cc1F	2080276275	GBKQDHOIQJEYHK-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
CC(C)CNC[C@]1(CC=C2CCC2)CCC[C@H]1C	2081681892	IRAOHGWMURYPMN-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H]2CCC[C@@H](C)C2)c1	2082959016	IPHHWJSHSCVEHO-ABAIWWIYSA-N	244.378	4.621	0	10	BJAE	
CCC1C[C@@H]2CC[C@@H](C1)N2[C@@H]1CCC[C@@H](CC)C1	2084424459	IJGRXFPFRCYXQD-SIXLDLHFSA-N	249.442	4.608	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)C[C@H]3CCC[C@H]2C3)CC1	2086167572	GAIUNPLYNPGPJZ-WOYTXXSLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](SCCCCC1CC1)c1cccc(N)c1	2214560123	IZEXQDBQBQWBHZ-GFCCVEGCSA-N	249.423	4.643	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)CCC(C)C	2214581342	KXKLBJQMGZCHKU-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CCCCC2CC2)C1	2214586730	XJWSVIFKADVVSK-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCCC(F)F)C[C@@H](C)CC	2216449588	OFRIOIDGQCWTED-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC1CC(CCC(C)C)(CN[C@H](C)CC)C1	2217126800	BZDNVMFJZFHNLW-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CCC(C)(C)C)CC1(C)C	2217152905	IHQKSNHUGKAOQK-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CCC(C)(C)C)N2	2217468316	NMZLFBLGOKDPEP-AWEZNQCLSA-N	231.383	4.548	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC2C[C@H]3CCC[C@H](C2)C3)C1	2218336608	XCRZNCBIAXSUPY-YXWQFLTLSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1CCC[C@@H]1C1CC1	2218731753	LXJOXHBVGQHNPW-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](N)(CCCCC2CC2)C1	2220040320	MBNHAQTYZCZGNW-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)c1ccc(C(C)(C)C)cc1	2220644682	VKHJWUCFLQJGQY-TZMCWYRMSA-N	244.378	4.603	0	10	BJAE	
CC1=CC[C@@](CNC2CC2)([C@@H](C)CC(C)C)CC1	2221668620	PXDJSHUJEHOECO-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC)c1cccc(C2CCCCC2)c1	2221800215	DDHWORGODFEHBT-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222955889	XNSVDKCSGYGOFY-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC(=O)Cc1ccc(C2CC2)cc1	2223634917	QEVPCWCNGLNSJE-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H](CC)CCC	2244775204	LRDZFOYJCATSMO-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@](O)(CC)CC[C@H]1CCC[C@@H](C)C1	2246692468	PIZFMDCQGLRPNP-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CC(C)CC[C@](C)(O)CC1CC2(CCCC2)C1	2246788425	YTGYSRLHJAUGMD-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCCC[C@H]1C[C@H]1C)CC(C)C	2247129522	OWIJDAFNPRQNTG-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1(N)CCC(C)(C)CC1	2247161421	ATPWNYDAJZAJIQ-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCC=C(C)C)c1csc(C2CC2)c1	2248043673	BIHUGHLXOWYAFD-AWEZNQCLSA-N	249.423	4.632	0	10	BJAE	
CCC(C)(C)[C@H](C)NCCCCC[C@H]1C[C@H]1C	2248866773	RNRQIBHXSDSVTL-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cc(C)c(C)c(C)c1	2249491516	SAEUZYKGROWBLW-ZBFHGGJFSA-N	231.383	4.602	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@]12CCC[C@@H]1CC2	2251211881	ODHOWKGCGTZFGN-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](O)C1CC(CC(C)(C)C)C1	2251531453	LNTZVQDCIBHJBL-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
Cc1cn(CC2CC(CC(C)(C)C)C2)cc1C	2251610177	NEOYCHROGYYCEU-UHFFFAOYSA-N	233.399	4.567	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@@H]1CC(C)(C)CCC1(C)C	2251681082	IMWYCTVGAYYCJQ-BFHYXJOUSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(CN)CCC23CCC3)C1	2253915298	FAYXRTWHTUHPCP-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@@H]2CCC3(CC3)C2)C1	2253922677	PLOZIMQSCMASKP-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C1(C(C)(C)C)CCC1	2255138056	SQJSAAXFUKOJKG-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCN(C)CC[C@H]1CCCC12CC2	2255259525	FXRCIQKTFYDHLQ-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC1([C@](C)(N)CC[C@H]2CCCC23CC3)CCCC1	2255338817	SRQBTAMDCQGKBL-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCC[C@@H](CC)C1	2256116335	YAIYUJVGZSQBLE-TZMCWYRMSA-N	249.373	4.769	0	10	BJAE	
CC(C)C(C)(CN[C@H](C)c1ccccc1)C(C)C	2256525931	XQMIXGTZFNTUEQ-OAHLLOKOSA-N	247.426	4.656	0	10	BJAE	
C=C=CC[C@H](CCCCC[C@@H]1C[C@@H]1C)NCCC	2257238604	DKEOZUHOXXKVIU-GVDBMIGSSA-N	249.442	4.692	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2CCCC23CC3)c1	2257884359	CZTFLEBCKNVBEY-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
CC1(C)CCC[C@]1(C)NC[C@]12CCCC[C@@H]1CC2	2260624737	OYTACVBDUVQPDY-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@]23CCCC[C@@H]2CC3)CC1	2260677398	FMDXOQAXUKBUTP-QBPKDAKJSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)C[C@H](N)c1cccc(C2CCCC2)c1	2260725088	KOCYCIRDKKNOAU-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
C[C@@H]1CC[C@@H]1C(=O)c1cccc(C2CCCC2)c1	2260729095	ISBSAGBDMQOPNR-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CC(=CC1CC(CC(C)(C)C)C1)[C@@H]1CCCCN1	2261301797	QUDDLGMTANMOMW-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC1CCC([C@@H]2CCNc3ccc(F)cc32)CC1	2261338864	MMOONLYZHKJWIX-YIZWMMSDSA-N	247.357	4.551	0	10	BJAE	
CCC(CC)CCN1C[C@H](C(C)C)CC[C@H]1C	2300683495	KHWLNIPFDKNLGQ-GDBMZVCRSA-N	239.447	4.569	0	10	BJAE	
CC(=CCNC1(C(C)C)CC1)CCCC(C)C	2300860185	DNQIKSPRPUVDNU-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCC(=O)c1cc2c(s1)CCCC2	2300877206	OWMAJMXFZNDQFJ-UHFFFAOYSA-N	248.391	4.556	0	10	BJAE	
CCC[C@H](N)CCC[C@H]1C[C@H]2CCC[C@H]1CC2	2301142020	FSMBTYYHEPPVNO-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCC[C@@]1(O)CC1CCCCCC1	2301209012	XYUDTHWQZUGLRA-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@H](C)[C@@H](C)C(C)C	2301839241	XXYWLYUBEJEAOU-LSDHHAIUSA-N	241.463	4.704	0	10	BJAE	
CC(C)c1ccc(O[C@@H](C)[C@@H](C)C(C)C)cc1	2301840841	QPTBJXKOYWGZBH-KBPBESRZSA-N	234.383	4.869	0	10	BJAE	
Cc1cn(CCCC2=CCCCC2)c(C)c1C	2302326745	SJHNXIPWTRDCKW-UHFFFAOYSA-N	231.383	4.694	0	10	BJAE	
CC(F)(F)CCC(=O)CC[C@H]1CCC(C)(C)C1	2304423081	OLCXZBDPNAMOPM-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@@H]2C[C@H]2C2CC2)cc1	2311450611	AYWJNBRPYKTBIU-PVUWLOKVSA-N	243.394	4.658	0	10	BJAE	
C[C@@H]1C[C@H]1CC(=O)C[C@@H]1C[C@@H]1C1CCCCCC1	2311610236	IYZVOCMCBOGCHY-DUFGSWQCSA-N	248.410	4.598	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312939083	FBPRRWUUUCIXBP-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(=O)[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2313305552	WGUNBRKBOZTLCW-YSVLISHTSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC1CC1)N1CCCC2(CCCCC2)CC1	2313598997	INQRLCWZURHQRH-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
NC(CC1CC1)(CC1CC1)C1=CCCCCCC1	2315439077	YTAMCEWHCBKCAK-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CC=Cc1ccccc1	2315904562	COZHXCQUVDMUON-QGZVFWFLSA-N	246.394	4.667	0	10	BJAE	
CC(=CCN1CCC[C@H]1C1CC1)CCCC(C)C	2316519509	YBISYIXWTKOCJT-KRWDZBQOSA-N	249.442	4.633	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1CCC[C@H]2CCCC[C@H]21	2316539037	ZQCOJYSBXWJQLL-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC(=CCC(=O)[C@@H]1CC12CCC2)CCCC(C)C	2316562737	KQLQATGQHMAZFU-HNNXBMFYSA-N	248.410	4.908	0	10	BJAE	
C1CCCC(C[C@@H]2CCN[C@H]3CCCC[C@@H]32)CC1	2316941208	YKDGEVHCLSXYNO-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@@H](C)[C@H](C)C(C)C	2317828007	OZVPBKNEIYLAJG-JKIFEVAISA-N	247.426	4.738	0	10	BJAE	
C[C@@H]1[C@@H](Nc2cc(C3CC3)ccc2F)CC1(C)C	2318246650	BMRLYHAZRHYQSX-BMIGLBTASA-N	247.357	4.550	0	10	BJAE	
CC(=CCCC1=CCCCC1)C1CCC(N)CC1	2318548436	LYHOTTIOQIGIDG-UHFFFAOYSA-N	247.426	4.731	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNCCCC1=CCCCC1	2318575717	IKRKAWNOOCKNSF-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CN[C@@H](CCCCC1CC1)CC[C@@]12CCC[C@@H]1C2	2318876970	KLVZFTBQPQZEHQ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)[C@@H]2CCCCC23CC3)C1	2319034144	JLSPEKZBQXDSSF-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC[C@H]1CC[C@H]1C1CC1)CC1CCCCC1	2319694389	XPKFJTPALQHKMP-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(OCC[C@H]2CC[C@H]2C2CC2)c1C	2319746856	AQRLILMZLUHSMZ-CVEARBPZSA-N	244.378	4.509	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1NCCCC1=CCCCC1	2320138470	GNKDLOKYNQGLAG-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1C(=O)CC1CC(=C2CC2)C1	2320151232	GOXFDBCPFCTTRX-GJZGRUSLSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@H]1CC12CCCC2	2320156766	WZUXWDIDJGFZKH-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@@H](N)C23CC(CC(C)C)(C2)C3)CCC1	2321586205	CERHVKKQRBYDPJ-HPUBIQBYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@H]2C[C@@H]2C(C)C)c1	2327783899	IFVKLYSTAKWOGQ-ZBFHGGJFSA-N	244.378	4.593	0	10	BJAE	
CCCCCCc1ccc([C@H](C)CNCC)cc1	2327903344	PFRSPGMCNKYAIN-OAHLLOKOSA-N	247.426	4.522	0	10	BJAE	
CCC[C@@H](C)CNc1ccc(C(C)(C)C)cc1	19979562	WSDLDXRYSPYLRX-CYBMUJFWSA-N	233.399	4.832	0	10	BJAE	
CSc1cccc(N[C@H](C)CCC(C)C)c1	19986135	WPKKWUWIPPXMHR-GFCCVEGCSA-N	237.412	4.645	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCCC[C@@H]1C	20554182	LMJUOHQHFCXCKQ-GXFFZTMASA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@H](NCCC)c1ccccc1	34218080	JZTDWCBEKZDIEG-INIZCTEOSA-N	233.399	4.698	0	10	BJAE	
CCN[C@H](c1ccc(C(C)(C)C)cc1)[C@H](C)CC	35548314	SDKKOTKVNQANPO-CJNGLKHVSA-N	247.426	4.681	0	10	BJAE	
CCCC(CCC)N[C@H](C)c1cc(C)ccc1C	37103441	PQIMRWYNSHVFGX-OAHLLOKOSA-N	247.426	4.923	0	10	BJAE	
C1CCC([C@H]2CCCC[C@H]2NCC2CCC2)CC1	37253693	WTOLJCWHFHZSPA-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC)CCCC1CCCC1	70745698	HHXZVZKZLIHQFR-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@H](CCC[C@@H](C)CC)C(C)(C)C	70747436	YGCCIHSGVDYUAB-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCSc1ccccc1N[C@H]1CC[C@@H](CC)C1	80458318	IFBPUJMZAVKQKV-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
CCCN[C@H]1C[C@H](C)CC[C@@H]1C(C)(C)CCC	85157337	LYHMOKZOPARMJG-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC[C@@H](C)CC1	86887890	YEENCRXORQXHGG-CJNGLKHVSA-N	245.410	4.938	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCC[C@H](C)CC2)cc1	86887973	RQVXTGKKXARLCY-QRTARXTBSA-N	245.410	4.614	0	10	BJAE	
CCCNC[C@@H](C[C@H](C)CC)c1cccc(C)c1	93127089	OOZVCISYIUGARJ-RHSMWYFYSA-N	247.426	4.514	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCC(C)(C)C2)c(C)c1	125001711	HCRGYGJHRFEGOL-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCC(C)(C)C2)CC1	131341695	FDCGMNXSILFEDT-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)c1c(Cl)cccc1Cl	146435157	WOICTWWIPXPAOG-UHFFFAOYSA-N	217.139	4.897	0	10	BJAE	
C[C@H]1CCC[C@H](N[C@@H](C)C2CCCCCC2)C1	149781783	AQIRXCMTEGZJAG-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
CN[C@@H](CCC(C)C)c1cccc(CC(C)C)c1	157888834	SLBHCUWVSYNKTM-KRWDZBQOSA-N	247.426	4.582	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)CC1CCCCCC1	163356677	CHWJQSDWPPJXEJ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@]1(C)CC[C@H](NCCC)C1	167127823	ZBJAGNZLZFINED-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCC[C@H](C2CC2)C1	224935944	WBKHKYQQEPZKKF-UONOGXRCSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)Cc1ccccc1	225969984	YBSWSSAKCCYZHX-DOTOQJQBSA-N	247.426	4.566	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](CC)c1ccco1	225984811	FICWAPBABIAFMB-KGLIPLIRSA-N	237.387	4.679	0	10	BJAE	
C[C@@H](C[C@H](O)CCC(C)(C)C)CC(C)(C)C	229340725	ZHSKIKGPYYTYGP-QWHCGFSZSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@H](C)Nc1cc(C)ccc1Cl	232230508	GVECSYDVFCSQDS-NSHDSACASA-N	225.763	4.639	0	10	BJAE	
CC(C)(C)[C@@]1(C)N=N[C@@](C)(C(C)(C)C)S1	248205006	ZITVEDITYNAJFA-TXEJJXNPSA-N	228.405	4.710	0	10	BJAE	
CSc1ccc(N[C@@H]2[C@@H](C)CCC[C@H]2C)cc1	252204481	UVEBOJVWUQUGGT-JYAVWHMHSA-N	249.423	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](C3CC3)C2)CC1	300585208	XVQAJTQRRZBLFZ-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](CCC)C1CC1	304371071	UTHTVOBQELPUOC-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CSc1ccc2cc(Cl)sc2c1C	306574002	ILMCQJGHXFPXJU-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Cc1cc2c(C(F)F)c(Cl)ccc2s1	306621335	VRSIPBVMJPUUHS-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCc1cc(Cl)c2sc(Cl)cc2c1	307527658	KZGGHQDJVTWMRN-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCCc1ccc([C@@H](O)[C@H](CC)CC(C)C)cc1	308034202	RHKYBZOYNPIEMA-WBVHZDCISA-N	248.410	4.745	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NC)C1=CCCCC1	308075619	KQFBOSDGLITYIL-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC1CCC(C)(C)CC1	310175940	VEPLEXBUQLKZGS-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1CNCC[C@]12CCCCC21CCCC1	311096578	JIJWCGAUOPTOKO-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CCCCC[C@@H](NCC)c1ccsc1Cl	312552386	VYAIPOCSQLZECR-LLVKDONJSA-N	245.819	4.632	0	10	BJAE	
CCCCCC[C@]1(CNCC)CCCC[C@@H]1C	317280788	PIVHIHGJYAYTDB-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)[C@@H](N[C@@H]1CCCC12CCCC2)C1CC1	324236755	IDUMNSCVEKJORN-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@H](CCC)C1CCC1)C1CCC1	324648710	FMBXMQUXYBKLNF-IYBDPMFKSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCc2cc(N)ccc21	383112807	IEDHBOWURMXRKM-CQSZACIVSA-N	245.410	4.905	0	10	BJAE	
CC(C)CC[C@@H](N[C@@H](C)CC(C)(C)C)C1CC1	384486128	ILQFIJJUADPVQE-DZGCQCFKSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCCC23CCCC3)C1	385526630	QODDZBQSDONUNV-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCC1(CN[C@@H](C)c2ccccc2C)CCC1	391786702	SZLNDKGSYOBBBQ-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
CCc1cc(SC)c2sccc2c1CC	396175785	BJMWLWCPCLHMJR-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1c(C(F)F)cc(C)c2ccsc12	396194230	BWCHNZJXHHNLHG-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCC[C@@](O)(CCCC(C)(C)C)[C@H]1CC1(C)C	397592681	CMMBWUQKDIOZGW-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCc1cccc(NC[C@@H]2CCCC[C@H]2CC)c1	401593848	UDWLOBSMZUGHKA-CVEARBPZSA-N	245.410	4.877	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1cccc(C)c1C	401596175	VULKMCKTHTYADO-HZPDHXFCSA-N	245.410	4.932	0	10	BJAE	
CCCC1(CNCC2(CC)CCCC2)CCC1	687529343	RXSPWRBBZLHZBQ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H](C)[C@H](C)CC	690188691	HUXBEXBACLPKCQ-KGLIPLIRSA-N	247.426	4.966	0	10	BJAE	
CCCC1(CN[C@H]2CCCCC[C@@H]2CC)CC1	691185649	KZSCNNCDUZQUQJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H](N[C@@H]2CCCC3(CC3)C2)CC(C)(C)C1	695718892	XEQXVJFIPPMYDU-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1[C@H](CC(C)(C)CC)NC	696162742	CFNOPGAWYIBEIY-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1CCCCCC1	696569044	WEPXYKKZNBQCQJ-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)CC1CCCCC1	696708500	BLHUEVBTFSVDHQ-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCC(C)(C)CC	696732666	ZNWWHVIPCGSTBF-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)CCNc1cc(F)ccc1Cl	696759785	UBSBFIVVUQBMTK-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CCC(C)(C)C[C@H]1C	704474882	UYUMQWDJWBRPQU-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CCCC=C(C)C)CC(F)F	704592512	NNJQXZIOPYIZIC-LLVKDONJSA-N	204.304	4.804	0	10	BJAE	
CC(C)c1ccc(O[C@H]2CCCC[C@@H]2C)cc1	704921324	BHDLOYQSRPERKD-BBRMVZONSA-N	232.367	4.768	0	10	BJAE	
CC(C)Cc1cccc([C@H](N)[C@H](C)CC(C)C)c1	708299708	WIZLVFQWNBXKQA-RHSMWYFYSA-N	247.426	4.567	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H](C)CC(C)(C)C)c1	709110797	MBIRHZHWRRLEQQ-ZDUSSCGKSA-N	234.383	4.755	0	10	BJAE	
C[C@@H](CN[C@H](C)C1CCCCC1)CC(C)(C)C	709133126	YUEZOXYLIYKUFL-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@]1(C[C@H](C)CC(C)(C)C)CCCN1	709193551	WRGSDBAKDSIXPD-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)SCC(=O)C[C@@H](C)CC(C)(C)C	709275672	SGRWUJMUMFVYTK-VXGBXAGGSA-N	244.444	4.550	0	10	BJAE	
Cc1cc(NC[C@@H](C)CC(C)(C)C)cs1	710698759	SJFMQXLTBXLPII-JTQLQIEISA-N	225.401	4.541	0	10	BJAE	
CC[C@H](C[C@H](O)CC1(C)CCCC1)C(C)(C)C	711179656	LTDPPXUDSPLZJO-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C[C@@H](O)CCC(C)(C)C)C(C)(C)C	711182722	ZKVIEFDRMQWJHY-STQMWFEESA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@@]12CCC[C@@H]1C2	711220941	GGGXMHZPVBLIQY-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@H]2CCCC[C@@H]21)C1CCCC1	712521944	KGYFQGKGZKVPDO-LTIDMASMSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CC(C)(C)CC[C@@H]1C	713117402	KCIMNMNDDCUGSL-MELADBBJSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCCC[C@@H]1C(C)(C)C	713168929	LKBXPLNTHDJVGM-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCNC[C@H]1CCC[C@H]1CCC(C)=C(C)C	718492338	HNVMPRXPZSDUKY-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@H]1CCCCCC1(C)C	719273362	ATECJMQPQOQJSN-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@H]2CC2(C)C)CC1	722586222	LQVRPIKLXPWHCX-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCC1=CCCCC1	1652530490	QEHGZKFHOXODQQ-PVAVHDDUSA-N	247.426	4.530	0	10	BJAE	
CC(C)(C)CSCc1cc(F)ccc1Cl	1652834869	CQIDHGFYIDRDOP-UHFFFAOYSA-N	246.778	4.758	0	10	BJAE	
CCCCCN(CC)c1cccc2ccccc12	1659411874	FXBZHWAVSGNJBO-UHFFFAOYSA-N	241.378	4.856	0	10	BJAE	
CCC(C)=CCC(=O)C1CCCCCCC1	1900870897	IFYYVDLZVZGVFG-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
Cc1cscc1-c1nc(CC2CCC2)cs1	1901909732	SQDPPEUOZNVBNC-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
Cc1cscc1NCC[C@H]1CCC(C)(C)C1	1903370200	OMHSOMFQMMTPEI-GFCCVEGCSA-N	237.412	4.685	0	10	BJAE	
CCCCC[C@H](CC)NCC[C@@]12CCC[C@@H]1C2	1909757960	NBLGUCKFBUOPBV-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](O)C1CCCCCCC1	1910705368	BRMPYXRTPLWZHK-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCC=CCN[C@H]1CCC[C@@H](C(C)(C)C)CC1	1911971646	SVFJBGHRLQEEJV-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@H](CCC)CC[C@@H]1CNC	1911998342	PAMIFNWIWPIOMD-BRWVUGGUSA-N	249.442	4.561	0	10	BJAE	
CCC(CC)CC(=O)C1CC2(CCCCC2)C1	1912626938	AHBZPLPXSRCBBK-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCCCCCCC[C@@H]1O	1913404718	PFABMHYPQNDBTE-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CC[C@](O)(CCCC(C)(C)C)c1cccs1	1919989886	ZIDZHJQGGRVLOU-AWEZNQCLSA-N	240.412	4.562	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@](C)(O)c1ccc(C(C)C)cc1	1920024306	DCFGGOBSGMAXGZ-GRDNDAEWSA-N	248.410	4.700	0	10	BJAE	
CC(C)C[C@H](C)[C@@](N)(CC(C)C)c1ccccc1	1920484098	LCZULPKCVVFJJH-RDJZCZTQSA-N	247.426	4.569	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCC1)C1CC(CC)C1	1921288949	CYSKKKHHZOULKT-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@@H]1CCCC12CCC2	1921623699	FGHGYWORYMLOOS-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NC1C[C@H]2CCC[C@H](C1)C2)C1CCCC1	1923486389	FLELFFMYDRFALT-GRDNDAEWSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@H](C)C1CCCCC1	1924074841	IBMZZUBMWOHDII-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCC1)[C@H](C)C1CCCCC1	1924104258	JRIJICAQIXCWIF-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@@H](C[C@H](C)c1ccccc1)NC	1926382529	RCYJYJCLHMTBMC-WMLDXEAASA-N	247.426	4.595	0	10	BJAE	
CCCC(CCC)[C@H](N)c1csc(Cl)c1	1933607156	HQNQVFUOHMJLFF-LBPRGKRZSA-N	245.819	4.618	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1cscc1Cl	1933813137	YWMWFKTUYIUTRL-NSHDSACASA-N	245.819	4.618	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@H](CC(C)C)C(C)C	1936209312	NFVSVUPGBXMKQP-KGLIPLIRSA-N	226.404	4.700	0	10	BJAE	
CC1(C[C@@H]2CCCCC[C@H]2CN)CCCCC1	1940406005	FITSEHLEZDRSPN-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
C[C@H](CC(=O)CCC1(C)CC1)C1CCCCC1	1940794218	BGPBYDACXQNHGZ-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC1CCCC1)NCCCCCC1CC1	1941591959	PMZITEMEFUTDTJ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC1CCC=CCC1	1941826691	ROLJSXMPENDYJP-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)CC1CCCCCC1	1944845279	GQEUJOHJMCNADX-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](NC(C)(C)C2CCCCC2)C1	1945382498	OVSJHQLSIRLPDB-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)CNC1(C)CCCCCC1	1945620185	LHKDLANOSHDAND-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)NCC(C(C)C)C(C)C	1948332655	NFPQDWCNASMYAE-HUUCEWRRSA-N	241.463	4.575	0	10	BJAE	
CN[C@H]1C[C@H](CCC(C)=C(C)C)CCC1(C)C	1949652887	GPYWYQAQOQPRHO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)NCc1ccc(C2=CCCCC2)s1	1950820932	HIOZGESHXPWIRN-UHFFFAOYSA-N	249.423	4.594	0	10	BJAE	
C[C@@H]1CCC[C@@](CO)(C[C@@H](C)C(C)(C)C)CC1	1950910507	HHFZUKODKCGGCP-FMKPAKJESA-N	240.431	4.638	0	10	BJAE	
CCCC(C)(C)c1nc(C(C)(C)C)cs1	1958154095	OOWXZVQIDOETFK-UHFFFAOYSA-N	225.401	4.518	0	10	BJAE	
CC(C)CC[C@H](C)N1CCC[C@H](C(C)(C)C)C1	1962912455	IWYGESSFVIFQRT-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CC[C@@H](C)C1	1968602314	IXVMZQKGBATRED-UKRRQHHQSA-N	245.410	4.967	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCC12CC2)c1ccsc1	1972744529	NCDYXVPNNPIXOX-ZIAGYGMSSA-N	249.423	4.512	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCCCC23CCC3)C1	1972828573	CRXKMTZOQNVIBY-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
C[C@@]12CCC[C@H]1N(CCC1CCCCC1)CCC2	1973676908	ADXCJMVHAZMQLT-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1CC[C@@H](C)C1	1975789841	BVMKWLZXANGUKX-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCCC(=O)CCCC1CC1	1978451133	CXJGSRHXCNVKKB-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)(C)CCNc1ccccc1SC1CC1	1996547430	FHHDYSPIAAAXCF-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H](N[C@@H](C)C(C)(C)CC)C1CCCCC1	1996588579	HFRIOWOCMBVSKK-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(N)C1CCC(C)CC1	1996593016	FGBUKZWNJXGTCC-BHDPWAOGSA-N	239.447	4.602	0	10	BJAE	
CC1(C(=O)CC2CC(C(C)(C)C)C2)CCCC1	1998240217	VAZWRDOHYUXTFI-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C(C)(C)NC[C@H]1CCC=CCCC1	1999995134	BGTGFIMUOXRFEQ-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H](C)CC(C)C	2000189622	ZZHMVEROLSJUSQ-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@@H]1CCC1(C)C	2000378797	IMUAFYJCDCTDJO-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CC[C@@H]1CC1(C)C)CNC	2000506054	XPNVVEUVFUKIOA-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)CC1(CNC2CCC2)CCCCC1	2000662572	UHLOSRZQOMOHGT-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@]1(O)CCC(F)(F)CC1(C)C	2000793252	RKYSIMHWGUOABW-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C1CC(C(C)(C)C)C1	2002310806	RQWADJZYQFHSJO-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2003023615	YBWAFICTXLOXQT-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCC[C@H]1O)CC(C)(C)C	2003101189	VLUKDHITEIQMGG-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CCCCCCC1=O	2003116479	IZQZRHQSTVNIPF-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
Cc1ccsc1C(=O)C[C@@H]1CCCC2(CC2)C1	2003287338	JLOXDRNHSSKBIJ-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@]1(C)C=CCCC1	2003335150	QUWQCJCIGJHJFO-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(O)(C[C@@H]2CC[C@@H](C)C2)CC1	2004353964	UHZFDASTIJJENV-WXLSXGNJSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)NCC1(C2CC2)CCCC1	2008469727	CNWFPCDLYRMNEB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C[C@@]12CCC[C@H]1C2	2011023739	GUKFDPSWIMMMJJ-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@@H](N)C[C@@H](CCC2CCCCC2)C1	2012064092	TUUDXOSOAZWURH-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC12CCC(CC1)CC2	2012811960	FKLAHUSSVKDKDB-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC12CCC(CC1)CC2	2012819636	NWAYEDMPZZOTDP-HWOWSKLDSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC[C@H]1CC=CCC1	2013264071	KPJSNYVQNQOHHP-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC[C@]12CCC[C@H]1C2	2013270940	NHNJRMHVRTZJCJ-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](CC(C(C)C)C(C)C)NC	2015284945	RTGLGHWEAAHFFF-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(CC[C@@H]1CCCCCC1=O)C(C)C	2015387179	HQTFRQYMUBWSBK-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](CN[C@]1(C)CCCCC1(C)C)C(C)C	2016113254	VXGGVKNRQLFZPO-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C1CC1)C(C)(C)C	2016146495	XGZCNKHKOVIZIX-UKRRQHHQSA-N	237.431	4.536	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC1(C(C)C)CCC1	2017118023	BWKVHXNRWMMZMF-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](NCC)C1(C(C)(C)C)CCC1	2017139455	VQTPOHSFAOVPKF-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1(C(C)C)CCC1)NC	2017140989	LWOZAZHYIMBDAV-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)C[C@H]1CC[C@H](C)CC1	2017721783	LMCPCEKZDROSKH-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C(=O)CC2CCC(CC)CC2)CC1	2017771036	WEWPZFYSLHUEJY-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2CC[C@H](C)CC2)C=CCCC1	2017776345	NVRUQZGWXRZKHO-DZKIICNBSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)N[C@H](CC)c1occc1C	2018082973	MMUOERGFSCORAY-UONOGXRCSA-N	237.387	4.598	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CCCC[C@@H]2CC)CC1	2018965219	PDYRGIPFPJECMA-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CCN(C)CC1CCC(C)(C)CC1	2019233052	RVHXFOTYZLXNCE-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H]1CCCCN([C@H](C)CCC(C)C)C1	2019409488	QZPCLBAFRKSTJP-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CCC[C@](N)(CC1CCC=CCC1)C(C)(C)C	2019869159	ZYTNHJGNXSRHTB-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CCC[C@](O)(CC)C[C@@H]1C[C@@H]1C1CCCCC1	2022452257	VLPPZYOFIMDCIA-ARFHVFGLSA-N	238.415	4.534	0	10	BJAE	
CCCCCc1ccc(N[C@H]2C=CCC2)cc1	2023255492	VBAOOTBQAOOOIR-HNNXBMFYSA-N	229.367	4.550	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@H]1CCCC(C)(C)C1	2024092219	PENIDCWKUJFAMO-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCC1CC(CC(=O)CCCCCC2CC2)C1	2025435843	OPAMZPOJFAJVJS-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C1CCCCCC1	2026167929	WBZYUCSAZGDUAK-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
c1coc(-c2nc(C3CCCCCC3)cs2)c1	2026604024	WMGITEXXTAULSL-UHFFFAOYSA-N	247.363	4.841	0	10	BJAE	
CCc1ccccc1C(=O)CC1(C)CCCCC1	2027295553	HGMCDUATPQVUJN-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
C[C@](F)(C1=CCCCCCC1)c1cccc(N)c1	2027938446	DUOXZVZZLIXCKK-INIZCTEOSA-N	247.357	4.734	0	10	BJAE	
C[C@@H](C[C@@H](C)c1cccc(N)c1)c1ccccc1	2027956273	JQNCOVAYRPYVMJ-UONOGXRCSA-N	239.362	4.566	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3CC[C@H]32)cc(C2CCC2)c1	2027993326	FLIVQAZYDYJZKN-KBRIMQKVSA-N	241.378	4.555	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@@H](CC(C)C)C(C)C	2028266225	USVDFXLUCSAGBB-IRXDYDNUSA-N	247.426	4.656	0	10	BJAE	
CCN[C@@H](c1cccc(C2CC2)c1)C(CC)CC	2028549458	MZWIKSZIGZHAKN-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1ccc(C2(C)CC2)cc1	2028612822	SRRFXNRBKWYQJA-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
C[C@@H](NCC1(C2CCCCC2)CC1)C1CCCC1	2029743874	PLEUHONSAODYOF-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C(=O)[C@H](C)CCC(C)C)c1ccccc1	2029839448	ZLXRAGSFPDHVKD-GDBMZVCRSA-N	246.394	4.822	0	10	BJAE	
CCC1([C@H](O)c2ccc(C3CCCC3)cc2)CC1	2031752620	PYOXDZZIWCTYCS-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
O=C(CC1CCC=CCC1)C1C[C@H]2CC[C@H](C1)C2	2033100286	KDKGCOGKQJYZPK-GJZGRUSLSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H]1CCC(C)(C)C1	2033404799	XOVRFGMVIYXGIV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
O=C1[C@H](CCCCCC2CC2)C[C@@H]2CCCC[C@@H]12	2034256719	JKZMWUITHDNNOU-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@@H](C[C@H]2C=CCCC2)C1	2035596507	CHZZOIBOXYTXAI-YYIAUSFCSA-N	249.442	4.524	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@@H]1C[C@H]1C=CCCC1	2035602986	XTWOHNCFIAFCPX-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC1(CCCN[C@H]2C[C@@H]3CCCCC[C@@H]3C2)CC1	2035854168	YRRQJVLWYBRZHR-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](N)C2(C)CCCCCC2)c(C)c1	2037072725	COJNVNXCFKIZBY-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
N[C@@]1(CCC2=CCCCC2)CCC12CCCCC2	2037172358	TZEAWZONDQIUOL-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@@H]2C=CCCC2)CC1	2037304879	JWLKJYFAQLDTIY-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H]([C@@]2(N)CCC3(CCCCC3)C2)C1	2037587292	BCBGWINNCQCWFM-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C[C@H]1CCCCN1)[C@H]1CCC2(CCCC2)C1	2037695380	RQAUHMUFTFIEPH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@H]1CC12CCCCC2	2039013242	WCYBNKDMGOBPNJ-HNNXBMFYSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)C1CC=CC1	2042023375	AUKRKFQLQMOIJI-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCC2(C)CC=CC2)CC1	2042076317	MUTHSBNZTJIFCB-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CC(C[C@]2(N)CC23CCCCC3)C1	2043006973	LRUGXLWMXCEHPR-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC(C[C@]2(N)CCC=CCCC2)C1	2043007782	VYVUKJBPGYFEIS-DQPZFDDXSA-N	249.442	4.667	0	10	BJAE	
CCCCCc1ccc(NCC2[C@H](C)[C@H]2C)cc1	2043416985	VVCMMNHUZSCBIG-ZIAGYGMSSA-N	245.410	4.733	0	10	BJAE	
CC1CC([C@H](C)N[C@H]2CCCC23CCCCC3)C1	2043540868	OINFEZYRSVUDKA-GRAKBVBRSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]1CNC[C@@H]1CCC=CCCC1	2045319257	BSSBTQKDBZZMBR-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CCC1=CCCCC1	2045680022	CUIBIEYRXOUYLO-YOEHRIQHSA-N	246.394	4.829	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)C1(C(C)C)CCC1	2045733093	OOOKLPXRVJLPGG-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)C[C@H]2CC23CCCCC3)C1	2047006362	AIMXDKBEHCELDR-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)C[C@@H]1CC12CCCCC2	2047057784	DAWGWUJAHSSYKB-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(C[C@@H]2CC23CCCC3)C1	2047060716	ZNUIPGKRZYYYAX-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@@H]1CCC12CCC2	2047928373	JQIXLAVUTAXCBT-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CCC23CCC3)C1	2047932980	QLONKLZIVXDHEG-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(C[C@@H]2[C@H]3CCC[C@H]32)CC1	2048441275	JUMYDCHGJDYGOF-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2C[C@H]3CCCCCC[C@@H]32)C1	2048616278	HULCJIRDJYMEPE-XTZTZFPZSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@H](C)Nc2cccc(F)c2)CC1	2049416845	BVPFWCAUTHHYQJ-HSBZDZAISA-N	249.373	4.843	0	10	BJAE	
C[C@H](NCC1CCC=CCC1)[C@@H]1CCC[C@@H](C)C1	2049542845	HJSOUSKPSWLTIA-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
C[C@H](NCC1=CCCCC1)[C@H]1CCCC(C)(C)C1	2049544373	SNJLMQNJZHVQGJ-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
C1CCCCC(N[C@H]2CCCC3(CC3)C2)CCC1	2049670972	ZQJFZDXLVHBSQA-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@@H](N)c1cccc(C)c1	2050466279	ZDVDWSOITKUOLL-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
CC[C@H]1CCC[C@@H](CC(=O)c2cccc(F)c2)C1	2050495550	VHAPGUZHZCZJIB-QWHCGFSZSA-N	248.341	4.615	0	10	BJAE	
CCc1cccc2c3c([nH]c12)CC[C@@](C)(CC)C3	2051615721	HXMCEYXDNWEZQE-QGZVFWFLSA-N	241.378	4.635	0	10	BJAE	
FCc1ccc(NC[C@@H]2CCCC3(CC3)C2)cc1	2055638264	XXKRNEUDELIKSL-CQSZACIVSA-N	247.357	4.538	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2CCC3(CC3)C2)CC1	2059003339	MZEHHQBZMCQFDF-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCNC[C@]1(CCC2(C)CC2)CCC12CCC2	2059170678	ACVOXOWVVDPTEO-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CC[C@H](C)[C@H](C)C2)CC1	2061121925	KPABLNBMRKSCIN-HWMZRRJGSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C[C@]12CCC[C@H]1C2)C1CCCCCC1	2061616348	JEFSUCFJAJTBNL-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1(CCN[C@H]2CCCCCC23CC3)CCCC1	2062018679	SKYBLQQCFBKPAX-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNc1cccc2ccccc12	2062653867	WGXVTVXMYBFBPU-ZFWWWQNUSA-N	239.362	4.688	0	10	BJAE	
CCCC1([C@H](N)CC2C[C@H]3CCC[C@@H]3C2)CCC1	2063496437	JRQCHXDKFPTVLP-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)C1(C)CCCC1	2067507411	BKKVHKSGMHLLCO-AWEZNQCLSA-N	245.410	4.938	0	10	BJAE	
CN[C@@H](CC1(C(C)C)CCC1)[C@]1(C)C=CCCC1	2071947045	WUXCYMLRNHRQHN-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C=C2CCC[C@@H](CCN)C2)CCC1	2071952968	HYSCUTGNQRVWHR-AWEZNQCLSA-N	249.442	4.668	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1CC2(C1)CC2(C)C	2072426908	SVYPMHLIIFVWDT-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC12CC(C(=O)C[C@H]1CC[C@H](C)CC1)C2	2072877916	IXINMOXPXBKIIN-FCZXUXRVSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)c1ccc(CCC)cc1	2073340321	LQCCRJZNIJYOGS-QGZVFWFLSA-N	247.426	4.783	0	10	BJAE	
C[C@H]1C[C@H](CC2(CCF)CC2)Nc2ccccc21	2074623338	GXQNLTOYPGGLEC-QWHCGFSZSA-N	247.357	4.504	0	10	BJAE	
CN[C@@H]1[C@H](C2=CCCCCCC2)CCCC1(C)C	2076401518	LZWIUSWLAPRKOO-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1C[C@H]1C1CCC1	2079351198	XOSAGRNUOKBLSN-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C[C@]2(N)CCC[C@@H]3CCCC[C@@H]32)C1	2081133692	RPAOGJLGZHOQPX-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCN(C)[C@@H]1CCC[C@H]2CCCC[C@H]21	2081147853	KJIRNLQRWVHSGC-KRJKFKNKSA-N	249.442	4.633	0	10	BJAE	
CCc1ccc(N[C@H]2C[C@H]3CCC[C@H]2C3)cc1C	2086172189	UZAJSTLYWWXPHA-QRTARXTBSA-N	243.394	4.548	0	10	BJAE	
C1=CCC(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2212390178	YYHOCQGCVDBFGH-XHSDSOJGSA-N	218.384	4.949	0	10	BJAE	
CC1(C)C(C)(C)C1(N)CCCCCCC1CC1	2213573673	KJWWXIUWJWUOCV-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]1[C@@H](N)CCCCCCC1CC1	2213576600	RWPWAEDJSSJRFY-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2CC[C@@H]2C)CC1	2215097496	HIPAEUJRNHKAGZ-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CC[C@H]1C[C@H]1C)CNCC	2215242714	DOJVCITXSPVKBF-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CC[C@H]2C[C@@H]2C)CC1	2215302225	QKGYSQUASCRCMY-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CNCC)CC1(C)CC(C)(C)C1	2215398786	PIWRPOPOKJKNBK-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](NCC)[C@H]1CC[C@H](CCC)CC1	2216286597	WJQSPENIEIKTRE-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](O)CCC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216765055	KKBGMMGRZIVDAO-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCN[C@H]1CCCCCCCC1CC1	2216861915	IZVANRZFGZAPMB-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)NCCCCCCCC1CC1	2216882881	DIDYEGBROIGDOU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
NC[C@@H]1CCC[C@H]1CCCCCCCC1CC1	2216891632	HWVLYJMJYFILJH-CVEARBPZSA-N	237.431	4.502	0	10	BJAE	
C[C@H](N[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCCC1	2218329138	AOLOXANOGANTRR-MPTYRVRUSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C1CC(=C2CC2)C1	2218725407	JKWWXBCAXFREAR-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
O=C(CCCCCCC1CC1)C1CC(=C2CC2)C1	2218733993	ABLIJVDYZNVANE-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)c1ccccc1C(C)C	2220880249	RITRUWQIOYWPRH-KEYYUXOJSA-N	245.410	4.636	0	10	BJAE	
CC1=CC[C@](C)(C(=O)c2ccc(C)c(C)c2)CC1	2221643826	PHFOWAIFRLNXON-KRWDZBQOSA-N	242.362	4.623	0	10	BJAE	
CC1=CC[C@](C)(CNCCC[C@H]2CC2(C)C)CC1	2221645152	WGWAZJSPVDYTEV-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NCCC2=CCCC2)C1	2222269705	WRGQBZKRSMBOOT-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1C[C@H]1C1CC1	2223110351	SANGISMBBKGBNY-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@]1(CNC2CCC2)C=CCCC1	2223596055	LAMZXRAAMYOPPC-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)c1ccc(C2CCC2)cc1	2223699263	AUWRDAMMKRJMFN-OGHNNQOOSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)[C@H](C)CCC(C)C)cc1	2223969931	ZNKHPGAVBMMADY-CABCVRRESA-N	246.394	4.740	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1ccc2occc2c1	2224132940	ZKJSTJOYGLEILJ-HOCLYGCPSA-N	246.350	4.539	0	10	BJAE	
CCCCC[C@](O)(CC)c1cccc2ccoc12	2224157988	PFEVDUYRWIGWFT-MRXNPFEDSA-N	246.350	4.611	0	10	BJAE	
Cc1scc(C(=O)C2(CC3CC3)CCC2)c1C	2246417260	YDUDSMREZOODMZ-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
C1=C[C@H](Cc2cc3cccnc3s2)CCCC1	2246920211	UARYOVLRAPOABA-LBPRGKRZSA-N	243.375	4.585	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](O)C1(C)CCCC1	2248857394	YQIMLLTXPREULH-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CCCCC[C@H]1C[C@H]1C	2248873446	UZSQLRHIIDMSDH-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](C)C1(C)CCCCC1	2250385866	SUSDWRUOWLHLPD-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCCN[C@H]1C	2250477049	SRGBJKSYFQPDAW-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@](N)(CC[C@@H](C)CCCC(C)C)CC1	2250481498	MIBAVBJNLDQNSA-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@]12CCC[C@H]1CC2	2251221175	NNGNWXUXTKJOBF-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C(=O)CC[C@H]1CCCCC12CC2	2253855646	NXDYRJFQDDDYJQ-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)C1	2253938749	NSTWOXVKDZYINV-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(N)CCC[C@@H](C2CC2)C1	2254598756	ROQXAPMYCAZYGI-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccc(OCC2=CCCCC2)cc1	2255187929	XUKRGAISRLOOPX-UHFFFAOYSA-N	244.378	4.863	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)CC[C@@H]1CCCC12CC2	2255233849	JDWKGDVYKZTYNP-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@H](C)[C@H]1CC12CCC2)C1CCCCCC1	2256428278	TWOZRMMRUHKAFB-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)C1CC2(CCC2)C1	2257280183	FKPFURAFWXCOJI-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H]1CNC2(CCCC2)C1	2257361041	JZDQTQQDFJTLOU-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC1(N)CCC2(CC1)CC2	2257362697	UDMXJQCXIYUGFO-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C(CCCC1CC1)CCNC[C@@]12CCC[C@H]1CC2	2260532923	DOUCRLHSQCHWFI-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](C[C@]12CCCC[C@H]1CC2)C1CCC1	2260580664	BSTIQUMSDCSNBT-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(NC[C@@]23CCC[C@H]2CC3)C1	2260632373	CVXFKAVCOSHHSI-XGHPGWEVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC(N)(C[C@]23CCC[C@H]2CC3)C1	2260645889	KDEYXVRBIQONEX-OBKBAYEDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](O)(CC)c1cccc(C2CCCC2)c1	2260729995	HLDUVUQCCABPHS-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
CC(C)(C)CC1CC(C=Cc2cccc(N)c2)C1	2261303639	DLFLBKIAZFRNSX-UHFFFAOYSA-N	243.394	4.744	0	10	BJAE	
CCC[C@@H](CC)CNCc1c(C)cc(C)cc1C	2264095997	LVWBEAWHRLBFHV-MRXNPFEDSA-N	247.426	4.528	0	10	BJAE	
CCCC[C@@](CC)(CNC)[C@@H](C)CC1CCC1	2298867445	FQRIPSALTIAUAY-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@@H](C)CC1CCC1	2298918158	VNBAKJKBJVTHJQ-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)c2cc(C3(C)CC3)[nH]c12	2300646343	QBGANVUYLFIBSB-UHFFFAOYSA-N	227.351	4.651	0	10	BJAE	
CCC(CC)CC[C@H]1CCN[C@H](C(C)(C)C)C1	2300702397	WVRZFLXJMIHITA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC[C@@H](O)c1ccc(C)cc1	2300706204	NELSAJBWACQIDI-MRXNPFEDSA-N	234.383	4.635	0	10	BJAE	
CCNC[C@](CC)(C(C)C)[C@H](C)[C@@H](C)C(C)C	2301957117	YHIZKWKYDIKTST-ARFHVFGLSA-N	241.463	4.577	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)C2CCCCCC2)C1	2302747293	BXPPIRPYSZXQMD-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1CC[C@@H]1C(C)(C)C	2303443554	VQLRLJAWXKAZIF-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)CC1(N)C[C@@H]2CCCC[C@H]2C1	2307828551	KBMOSBLTGXTHBL-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(CNC)C1CCCC1	2307841193	INKPDANUHRSODI-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCCC(F)F)NCC	2307894788	NSNVJAJKGBCKKD-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNCC)CCC1(C)C	2307899938	SKUQHPAYBACVTE-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@@H](CCC[C@@H]2C[C@H]2C)Nc2ccccc21	2310427096	STHKAFCKYHYAMB-KBUPBQIOSA-N	243.394	4.801	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@]23CCCC[C@@H]2C3)C1	2311163006	XFQGXXYFQZQQCT-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@H]2C2CC2)CCCCCCC1	2311473518	FQNZEKLYZLWBJR-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2C[C@H]2C2CCCCC2)C(=O)C1	2311610549	VLDLZJOXWPAWEF-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CC(=CCNCC[C@@H]1CC12CC2)CCCC(C)C	2316497667	UHKPXZVOYDEZGX-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CCC1(C)CC(N(C)CCCC2=CCCCC2)C1	2318587816	WATXBWIIQUBGEA-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CC[C@H]2C2CC2)c(C)c1	2319737456	ATCLJQCZINXHHM-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
C1CCCC(C[C@@H]2C[C@H]3CCCC[C@@H]3CN2)CC1	2319879699	ZSKZKISOCYERAK-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1	2320397125	HBOIGFNVJUBUNO-VGWMRTNUSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H](N[C@H]1CCC(C)=C(C)C1)c1occc1C	2320409310	SWQBVJAFGNOILJ-LSDHHAIUSA-N	247.382	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)C2(C(C)C)CCC2)CC1	2320413335	RZWRNDLBWOLYOD-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CCC[C@H]2C[C@@H]2C)CC1	2320415141	XVTQUXQDLVSYHD-VVLHAWIVSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)c1cccc(C(C)C)c1	2320524803	DRXSFHZWGCZFDA-FRFSOERESA-N	245.410	4.636	0	10	BJAE	
CC[C@H](Nc1ccccc1C)c1ccccc1	19964969	OYJDHZYEJMFMEC-HNNXBMFYSA-N	225.335	4.558	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccccc2C)s1	19965117	BPPKIYCVGXBBGM-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
C[C@@H](NC1CCCCCCC1)c1cccs1	21511968	DIBAZOZFGSBFEH-GFCCVEGCSA-N	237.412	4.512	0	10	BJAE	
CCc1ccccc1N[C@H](C)c1ccc(F)cc1	21520444	NKPRRGKGTBKDII-GFCCVEGCSA-N	243.325	4.561	0	10	BJAE	
CCOc1ccc(NC2CCCCCCC2)cc1	21793545	MIPNIBVHLLRELM-UHFFFAOYSA-N	247.382	4.610	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](CC(C)(C)C)NC)cc1	35469149	CMAATUGSVKFENY-XJKSGUPXSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@@H](NCC1CCCC1)c1ccccc1	37254955	MWLMQMUFZOPQCL-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1cccc2ccccc12	54438763	SHSHXYBKOHOUCQ-MRXNPFEDSA-N	242.362	4.700	0	10	BJAE	
CCCC(=N)Nc1ccccc1-c1ccccc1	62988372	XAOQJSNSCHLPPM-UHFFFAOYSA-N	238.334	4.543	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](CC)C1CCCCC1	71106463	CWHLIAQEHYQLPL-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
CCN[C@@H](CCCCC(C)C)c1ccccc1	80424717	CFHIZWMVSIWMHZ-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CC[C@@H](C)[C@@H](O)c1ccc(Cl)c2ccccc12	93656850	DPIBPVNIRRRQKZ-MEBBXXQBSA-N	248.753	4.573	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N	110446070	WFNXSDYSHJHOEX-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
C/C=C/c1ccccc1Oc1cccc(Cl)n1	110546671	JRMWWPZQHNGXPN-QHHAFSJGSA-N	245.709	4.560	0	10	BJAE	
CCN[C@H](CC(C)(C)C)c1cc2ccccc2o1	126595438	XNKWOOSHFRHXLI-CYBMUJFWSA-N	245.366	4.520	0	10	BJAE	
Fc1ccc(NC2CCC3(CCCC3)CC2)cc1	129208202	BRPZICDAEVGNAC-UHFFFAOYSA-N	247.357	4.741	0	10	BJAE	
Cc1cc(C)c2c(Cl)cc(CC(C)C)nc2c1	131703751	MFMRUUXSEPBPGZ-UHFFFAOYSA-N	247.769	4.704	0	10	BJAE	
C1=C[C@H](Sc2ccccc2)CCCCC1	140290272	NNKOGGXTRIMDBL-ZDUSSCGKSA-N	218.365	4.668	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C[C@@H](C)CC	161423965	SIRKCFBKGXVXIC-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cc(Cl)ccc1Cl	164261645	OGXYKXPMFQIHQP-MRVPVSSYSA-N	245.149	4.612	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)CC1CCC1	167108952	CBGFCYSWVJFNLK-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C1=CCCCCC1	203425395	RXBZWMGUSMKCST-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCN[C@@H](CC(CC)CC)CC1CCCCC1	229157191	XLSICLCXDFEGLJ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@H](C(C)C)C2)cc1	230986253	QXPHRRFYXOFKDK-DOTOQJQBSA-N	245.410	4.876	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)C1(C)CCCCC1	233614856	GKAHPLVHHZENKR-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCCCOC(=O)Nc1ccccc1[C@H](C)CC	242807350	FHKQZKFJQFRHFN-GFCCVEGCSA-N	249.354	4.549	0	10	BJAE	
Cc1cccc(N[C@H](C)CCC(C)C)c1Cl	300867841	KCMSCHGQUQLAGM-GFCCVEGCSA-N	239.790	4.885	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@H](C[C@H](C)CC(C)C)C1	302443922	WRYBYPAVNLBINZ-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CCC2CCCC2)C1	305896549	LISBYWBHLBYYHM-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CCCCc1ccc([C@H](O)CCC(C)(C)C)cc1	305910385	DINIEGLKZXOUMB-MRXNPFEDSA-N	248.410	4.889	0	10	BJAE	
CCc1ccc2scc(Cl)c2c1CC	306788949	SKRZSEXYFZDAEW-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CSc1c(C)c(Cl)cc2ccsc12	306860593	FCADAMVIDZAOPR-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Fc1cccc2sc(Cl)c(C(F)F)c12	307558599	CUFFDJMNMRIUFW-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@H]1CCC[C@@H](n2ccc3c(F)cccc32)C1	310560014	JBRSAFQDTHGNGF-QWHCGFSZSA-N	245.341	4.922	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCC12CCCCC2)C1CC1	313006871	MQSBYWCCMHIROC-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](Nc1cc(C)cc(F)c1)C1CCCC1	313416747	VMERUTJHMBUOFR-MRXNPFEDSA-N	249.373	4.905	0	10	BJAE	
CCCCCC[C@@]1(CNCCC)CCC[C@@H]1C	317464694	YKWPQVOMZFEVRP-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
C[C@@H](CC(C)(C)C)NCC/C=C/c1ccccc1	322851882	ADDOXIBWHWXCCO-JQVXPOPVSA-N	245.410	4.504	0	10	BJAE	
C(=C/c1ccccc1)\CCn1ccc2ccccc21	323757319	WEYGNYQXXDZJIQ-UXBLZVDNSA-N	247.341	4.745	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H]1CC[C@H](CC)CC1	328271998	PRDRYWQKJWEEGC-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](CC)c1ccsc1	382168135	VSWJHMMDJLRRGQ-RISCZKNCSA-N	239.428	4.614	0	10	BJAE	
CC(C)C[C@@H](CCC1CCCC1)CNC(C)C	383161295	LDYSMYYSAVZODH-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC(C)C)c1ccccc1C(C)C	383350572	ACHBTCITVVFTNF-INIZCTEOSA-N	233.399	4.507	0	10	BJAE	
CCCN[C@H](C[C@H](C)c1ccccc1)[C@@H](C)CC	385021094	XKSJRPDVZWWYNO-YQQAZPJKSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H](C)c1ccccc1)NC	385187695	PQQFMHXDOAZFNM-ZMSDIMECSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H](C)c1ccccc1	385198099	QMPOXSABCJBZSX-YQQAZPJKSA-N	247.426	4.724	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)c1cocc1C	385420526	ARZJXTFBCQDNOB-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@@H]1[C@@H]1CCCCN1	385950840	CTIMRIMKWXKXGR-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
C[C@H](NCCC1CCCCCC1)C1CCCC1	394520282	AEQCMPYAZWEUKV-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC(C)(C)N[C@@H]1CCCC12CCC2	394787383	VDQAUIHOPHYMLR-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CCCC(C)(C)C	395174672	NANNMDBTCIOAHI-ZDUSSCGKSA-N	228.420	4.780	0	10	BJAE	
COc1c(C(F)F)cc2sccc2c1Cl	396182054	JJYMRPLOOBBPQT-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H]1CC[C@@H](CC)C1	400470661	QNHUHCBKNPVMLX-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@@]1(CC2=CCCC2)CC[C@H](CC)C1	401045229	AQEIJKDOPYJGAI-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CC=CCC2)c(C)c1	402187519	GEYSGAOAEPRZRC-HNNXBMFYSA-N	242.362	4.541	0	10	BJAE	
CC(C)c1ccccc1-c1cccc([C@H](C)O)c1	404732662	CWYWFBHKICELMB-ZDUSSCGKSA-N	240.346	4.530	0	10	BJAE	
CCCCC[C@H](CC(C)(C)C1CC1)NCCC	405737874	OEQQRLRHUVJBMV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)[C@H](C)CCC3	527395880	FFWXEQNZSHZERL-LLVKDONJSA-N	227.351	4.731	0	10	BJAE	
CCC1([C@H](O)c2cccc(C3CCC3)c2)CCC1	687581362	ZUUARYFILNWPOB-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CC1(C)CC(C(=O)CC2CCC2)CC(C)(C)C1	688308984	QVDIIQNCRPAKOZ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1([C@H](CCCC2CCC2)NC)CCCC1	688359156	QODUFEZDMRREAA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](Nc1cccc(C2CCC2)c1)[C@@H]1C[C@@H]1C	690161418	WUOLYAQUCLCPGS-VUCTXSBTSA-N	243.394	4.801	0	10	BJAE	
Cc1cc(NCC2CCCC2)cc(C)c1Cl	690249391	PCDXYLQFNKTQCD-UHFFFAOYSA-N	237.774	4.559	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1NCC1=CCCCC1	691086032	YVOPOPWLIIQQLB-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
NCC1(C[C@H]2CC3CCC2CC3)CCCCCC1	691672855	KDYBONOOMHNXSS-UYSNPLJNSA-N	249.442	4.502	0	10	BJAE	
CC(C)(C)C[C@](C)(O)c1ccc2sccc2c1	691864928	ZEWJLXJUOZKHMG-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)C1CC(C)C1	691985319	WZXPJLJLPQNVKZ-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@H]2CCCC3(CC3)C2)C1	695687406	CEUAHPCSEGUDSK-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	699049282	GYJQYNRZMJEPDC-HGTKMLMNSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CC[C@](CNC(C)C)(CC2CC=CC2)C1	700968093	CXSFETGRUKDRPR-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc([C@H](C)NCC2=CCCC2)cc1	702323211	HJWGRGWGLBULOP-AWEZNQCLSA-N	243.394	4.571	0	10	BJAE	
CCC[C@](N)(CCC1CCCC1)[C@@H]1CC1(C)C	704473021	ILVOTUTYUSTWFJ-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@](N)(CCC(C)C)C1CC1	704829544	WJZYEMGCDLQVMV-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CC[C@H]1CCCC[C@H]1C)C(C)(C)C	704880228	VULYCVJZHPEMQL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C1CCCCCC1	704955229	BWLNFELGTNVICQ-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)c1ccccc1C1CCC1	705335156	JUVRJPGLCDMVPO-QGZVFWFLSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CCCC(C)C	707645229	XZXRQJVKYMIBOQ-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@@H](C)CC(C)(C)C	708282375	NTBNUVFAFIKQNP-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NC[C@@H](C)CC(C)(C)C)c(F)c1	709105166	SHXQJEGOGOTBHX-LBPRGKRZSA-N	237.362	4.618	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)CCC(C)(C)C1CC1	709230719	YMEUNDRZRPUKGJ-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCNC1CCCCCC1)C(C)(C)C	711189433	IUFFQPGVVIFPQR-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc([C@H](O)CC(C)(C)C(C)C)cc1	713181939	HMQORMZJAHXYLX-MRXNPFEDSA-N	248.410	4.916	0	10	BJAE	
C/C=C/C[C@H](CC)c1ccccc1Cl	714521927	PIWGNTBVWZOORW-TZNOJPMFSA-N	208.732	4.800	0	10	BJAE	
C/C=C/[C@H](C)Cc1ccc(Cl)cc1Cl	714540228	PGSADRMONGEZPH-NWALNABHSA-N	229.150	4.748	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc(C2CC2)s1	716584827	UIQBAJGVAFULSI-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1ccc(C)c(F)c1	718526326	LMDPDSCRXSFJIS-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCCCCC[C@@]1(O)CCCCCC1(C)C	719262995	VZQXAIZRMPJBHX-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCCCC1CCC(C(=O)C[C@@H]2C[C@H]2C)CC1	722889877	IQIDLOZQYPPSSX-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
c1ccc(CSC[C@H]2CC3CCC2CC3)cc1	1458895310	HUXAXLDPNGYZIP-AVVWSFFYSA-N	246.419	4.746	0	10	BJAE	
C[C@@H](CN(C)[C@@H]1CCC(C)(C)C1)CC(C)(C)C	1460051106	ZSWVMGITLFXBKM-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCc1cccc(C)c1C	1620942650	QEBFUIOSEPOJSJ-OAHLLOKOSA-N	245.410	4.528	0	10	BJAE	
CCCC[C@@H](CC)CN1CCCC1(CC)CC	1648230321	FQGCXAQIIXGPON-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCCC(CCC)SCC1CC(F)(F)C1	1652623672	ASHGQJAUINUAMG-UHFFFAOYSA-N	236.371	4.734	0	10	BJAE	
C[C@H](CSc1cc(F)ccc1F)C(C)(C)C	1656144669	DOHKJTWYQYEYQF-SECBINFHSA-N	244.350	4.739	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CC1CCCCCC1	1901109988	FLXRWPMCXCPXQR-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H](c2c(F)ccnc2Cl)C1	1903369967	LXVBTSPSNDFSFO-UWVGGRQHSA-N	241.737	4.558	0	10	BJAE	
CCCCC(=O)CCC[C@@H]1CCC(C)(C)C1	1903422069	MILBCDKFBQARFO-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](C)c1nc([C@H]2CC2(F)F)cs1	1904863249	RFQBQZXWTWHBHI-RKDXNWHRSA-N	245.338	4.559	0	10	BJAE	
CCCCCC1CC(N)(CCC[C@@H]2C[C@@H]2C)C1	1908578664	VYKJKMXJJJGWSV-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CC=C[C@@H](NCCC)C1(CC(C)C)CCCC1	1912130307	UTBBKXIRFINLKE-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1(CNCC(C)C)CC(CC)C1	1921196831	KRYBOTNYXLPXTH-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C1CC(C(C)C)C1	1921276413	FILNBCZUVRXBAJ-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(C(=O)C2CC(CC)C2)cc1	1921305863	OEKHJBSLJMCKIW-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)CCC(C)(C)C	1937267437	NBCDEZHRLRJROQ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)[C@@H](C)CC(C)C	1939046585	LSQOXYREKNMPQB-SOUVJXGZSA-N	227.436	4.616	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C(C)(C)C1CC1	1941129438	SRWIQSJYQRYTIM-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccc(C2CC2)cc1	1941557577	ZGOLUTRBDHNLQL-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC[C@H](C(C)C)[C@H](CCCCCC1CC1)NC	1941591775	NYDYVJJCJQKKED-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)CC1CCC=CCC1	1941792443	FPQIEUXVOVZPKD-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC(CCC[C@@H](N)C(C)(C)C)C[C@H](C)C1	1944206292	XKBUDARBRXEPQD-UMVBOHGHSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)C(C)(C)C1CCCC1	1944645176	GZSMOKXMYQKUPB-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@H]2CCC[C@@H]2C)CC1	1944868930	PYFYJUQJZJZUJW-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
O=C1CCCC[C@H](c2cccc3sccc23)C1	1945964154	ZYYHTLZKSAMJED-NSHDSACASA-N	244.359	4.518	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCCCCCC1(F)F	1947291039	ZMHIFMJIBOMWFJ-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCc1cscc1C(=O)CCC1=CCCCC1	1948007872	ZFFCSIFAKOOWHW-UHFFFAOYSA-N	248.391	4.774	0	10	BJAE	
CCCN[C@H](CCC)C[C@H]1CCC[C@H](CC)C1	1948865895	ZFNTWRCMOFPTEM-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](O)C2CCCCCCC2)C1	1949450436	DUZUNONCKZBNKC-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C=CCCC1(C)C	1949679877	POSFEPYCUTUHIF-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@]1(CN)CCCC(C)(C)CC1	1950913008	CYVNYEKVGWPMMW-LZWOXQAQSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C1(CC)CCC1	1951235353	SPFUFJRKXILKGN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@H](C)CCC	1964259458	SPCPJXFSVHEMRF-CABCVRRESA-N	227.436	4.571	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CC[C@H]1CC(C)C	1968237854	PCZLVIRLVKOUGN-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(N[C@H](C)CCC2CC2)cc1	1968293641	LUBVQNHPSIFEEP-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
Cc1cccc(C)c1NCC1C[C@@H](C)C[C@H](C)C1	1968352282	VBIOGHNAONTPKB-STQMWFEESA-N	245.410	4.788	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1CC2(C1)CC(C)(C)C2	1968858391	BGIPAFCOYPXEHD-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H]1N[C@@H]1CCCC2(CCCCC2)C1	1972322018	DFWHUPMNAKGRRQ-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCCCCC[C@@H]1O	1980350685	IKKIPNLFZWUSMT-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)Nc1ccc(CF)cc1	1982840497	VZHMQQUDFSTCTF-UHFFFAOYSA-N	223.335	4.537	0	10	BJAE	
CCCC[C@@H](O)CCC1CCC(CC)CC1	1989807739	MQGZZNAKWRKEGU-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)CN(C)CCCC(C)(C)C	1990840203	CUDUSSNFSJXXIA-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CC=C(CC)[C@@H](CCCCCC)NCCC	1992051681	LAYAGKDBDLTOEW-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CCCC(C)(C)C(=O)CCCCC(F)(F)F	1993603693	YNEQZGCCHUPHGW-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)C1(C)CCCCC1	1995980575	MXTKXHPQPVRFFZ-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CCC(C)(C)C[C@](C)(O)C1CCC(C)(C)CC1	1996560430	DPCUEBJREYEJJI-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCCSc1ccccc1N[C@@H](C)C1(C)CC1	1996572321	CRAKVWXTJKXKJJ-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CC(C)CC[C@]1(O)CCCC2(CCCCC2)C1	1996644723	ABTSSIUIYVJJEM-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)[C@@H]1CCCC(C)(C)C1	2000036645	BGOMVDJJQRWIFK-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)c2c(C)csc2C)C1	2000181276	FXASDXLVEXWJKJ-ZANVPECISA-N	248.391	4.540	0	10	BJAE	
CCCC1(C(=O)C2C[C@H](C)C[C@@H](C)C2)CCC1	2000195038	LYENYIWZFCILPZ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CCC1CC1)CNCCC	2000503991	CVCFEWFXYGESIX-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@]1(C)CC=CCC1	2001699005	NJEUDVFKEHUFJP-OAHLLOKOSA-N	249.785	4.807	0	10	BJAE	
C[C@]1(C(=O)CCC2CCCCC2)C=CCCC1	2003322942	DADWJUXKWYUXNL-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1CCC(C)CC1	2004232733	GWSMHGARZPTSIA-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(O)([C@H](C)CCC(C)C)CC1	2004353459	PVIRZJHGQTZQPX-QQFBHYJXSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCC[C@H](C)CC1	2004711794	NKUPPBUELDSEAJ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC([C@H](O)C2(C)CCCCCCC2)C1	2004919670	BWKDMHJDZUMYOM-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC1CC([C@@H](O)C2(C)CCCCCCC2)C1	2004923377	PXADOTRRGUFVED-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@H]1CCCCC12CCC2	2005591702	JDSVTQALZCAPCL-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC(=O)[C@H]1CCCC[C@H]1F)C(C)(C)C	2006748512	WXJWONWTUKPBDL-FRRDWIJNSA-N	242.378	4.546	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@@H](N)C1(C)CCCCCCC1	2006765757	UPJIXDNKAFVLLR-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](N[C@H]1CCCC(C)=C1C)c1ccsc1	2006923410	SKALLFFWBKFEJG-GJZGRUSLSA-N	249.423	4.678	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@H](C)C1CCCCC1	2007854768	HJLANBOSHZPDDI-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](O)[C@H](C[C@H](C)CC(C)(C)C)CC1	2009407835	PQTSQKVQSLJOSW-AJNGGQMLSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CCCC(C)(C)CC2	2009772096	NZVNDZFOYAULLW-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)CN(C)CCC(C)=C(C)C	2011183769	NUFILADHWPPBQX-UHFFFAOYSA-N	239.447	4.881	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCCCCC12CC2	2011272391	RBUBYQSTCOPZAW-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)C[C@H](C(=O)CCC[C@H]1C[C@@H]1C)C(C)C	2011570161	ONKGXSHETQQCBA-KKUMJFAQSA-N	238.415	4.700	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@](C)(O)C1(C)CCCC1	2014323431	BJJJBBICLIDYER-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](C)C2CCC(N)CC2)CCC1	2015642807	UXHITMHRTKXHMI-WLYUNCDWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CC1(C(C)C)CCC1	2017114321	KOCGVYOZPUNINM-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@](C)(CO)C(C)C)CC1	2017713575	YOAXZAZAJMRBQV-UYSNPLJNSA-N	240.431	4.638	0	10	BJAE	
CCCC1CCC(C[C@@H](N)CCC2CC2)CC1	2017723679	KVDZGWBKCBLGQA-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C[C@H]2C[C@@H]2C)CC1	2017775689	FIZBJNXLHWVIRI-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@@H]2CCC[C@H](C)C2)CC1	2018922602	AKCVVXVIPKSYOQ-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(O[C@H]2C=CCCCC2)cc1	2019540082	AQOKGPRNIDHIQD-HNNXBMFYSA-N	230.351	4.688	0	10	BJAE	
CCCN(C1CCCCC1)[C@H]1CCC(C)(C)C1	2020536282	UUQSVMKLLJFLHE-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CC[C@@H](C)CCNc1ccccc1C1CCC1	2021026732	CNHVYZLGCIZQDY-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C[C@@H]2C(C)(C)C)CCCC1	2022558752	ZBNKBQUOPRLOKS-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@@H](CCCCC(C)(F)F)NC	2023288551	UXHJQUFAEZVSKX-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
Cc1cc(Cl)cc(-c2cc(C)c(N)cc2C)c1	2024330113	GOGLZZSLVLUJDR-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@H]1CCCNC12CCCCC2	2024621676	APATZMRCPHBFTR-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC[C@H](C(C)C)C1	2025632598	ZLPOTYRHHQWMJK-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCCc1ccccc1CC(O)(CCC)CCC	2027902680	BSPCMNKQKFAGJE-UHFFFAOYSA-N	248.410	4.513	0	10	BJAE	
Cc1cc(N)cc(-c2cccc(C(C)(C)C)c2)c1	2028092409	RXQHLSINHFOQFF-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CCCCC[C@](C)(O)c1ccccc1C1(C)CC1	2028555130	QMMZKZYKWZLWCX-KRWDZBQOSA-N	246.394	4.526	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)[C@@]12CCC[C@H]1C2	2028630309	ZGSVAKUOPXSVFY-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H](C[C@H]2CC[C@@H](F)C2)c2ccccc2N1	2032949090	RABXKCCACANSEF-AAVRWANBSA-N	247.357	4.503	0	10	BJAE	
C1CCCCC(NC2C[C@H]3CC[C@@H]3C2)CCCC1	2035891695	MOXGHHWZLKQDBI-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@@]1(CC2CCCC2)CC12CCCC2	2036098170	RFCMVMQUBSYMGK-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@H]1CC12CCCC2	2036120392	ARKXPFARRNMTGT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC([C@H](NC)C2=CCCCCCC2)C1	2036487337	QRLFCYMQJTZPJF-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc([C@H](N)C2(C)CCCCCC2)c1	2037069223	BQQYBOQTDYNROJ-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)[C@@H]1CC2CCC1CC2	2037172941	UPCQXZSQSWJNQF-BACDZXNISA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)([C@@H]2CCC3(CCCC3)C2)C1	2037586189	QGXXEGQIEGQVIG-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1CCC([C@H](N)[C@H]2CCC3(CCCC3)C2)CC1	2037595098	UPYRVHKUSYLLNS-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CC)c1ccccc1	2038139746	XXZYSVNXPLKDGE-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1ccc(CC2CC2)cc1	2040734906	HFSBHLREEHNMDD-CYBMUJFWSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@@H]1CC=CCC1	2042019776	QZJWZLALFXAQAL-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@]1(C)CC=CCC1	2042026980	JFYGQXDMBTYXGJ-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
C=CC=CCCNc1ccc(CCCCC)cc1	2042331020	OLUWGTDDDLWHQR-UHFFFAOYSA-N	243.394	4.964	0	10	BJAE	
O[C@@]1(C[C@H]2CCC=CCCC2)CCC12CCCC2	2045331776	IXTOOUGIBDIFAE-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@@H](C)c1ccccc1	2045555870	OEROKPOPLSTVAL-CQSZACIVSA-N	246.394	4.966	0	10	BJAE	
CCCCC[C@H](NC)[C@H](c1ccccc1)C(C)C	2045742244	YRWGJHOOJNNHSE-IRXDYDNUSA-N	247.426	4.595	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@H]1CC12CCCC2	2047060669	ZFOJTPYCZYIYLL-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CC1CCC2(CC1)CC2	2049857256	MTMOLMHHEQPIEQ-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
CC(=C[C@@H]1CCCC2(CC2)C1)c1ccc(N)cc1	2049860607	SGOIKNJSBNJVRS-AWEZNQCLSA-N	241.378	4.643	0	10	BJAE	
c1cc(C2CC2)ccc1NC[C@H]1CCC2(CC2)C1	2049861494	WSMLHGIJEGTVED-ZDUSSCGKSA-N	241.378	4.556	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@H]1CCCC2(CC2)C1	2049952637	YVKJMPCWIVPIEJ-AWEZNQCLSA-N	242.362	4.538	0	10	BJAE	
NC1(C2=CCCCCCC2)C2CCCC1CCC2	2049994651	LRWCLAUHVQZUHN-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H](CCCCC1(C)CC1)c1ccccc1C	2050461317	TXBFMACYNBMRLF-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CC(C)NC[C@@]1(C2CCCCC2)CCCC12CC2	2053368225	YKLLHRNFQFONTD-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCC(C)=CC[C@@H](C)C(C)=CCO	2055496748	STLRNDLGNUYBKN-OAHLLOKOSA-N	236.399	4.644	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@H]2CCC[C@H]2C(C)C)c1	2056447568	CMNJZVGWHSOLJV-HOTGVXAUSA-N	244.378	4.558	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C2CC3(CCC3)C2)CC1	2056540006	SOIUHSFGZSOKLE-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(C[C@@H](N)C2CC3(CCCCC3)C2)C1	2056646534	VRSUIUQRSXTUFY-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CC(CC)C1)[C@@]1(C)C=CCCC1	2056651224	OSRNRANDGNDXIC-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1[C@@H](N)C=C1CCCCC1	2056874319	WBCKWBIXEMUFFZ-KRWDZBQOSA-N	243.394	4.529	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@](N)(C=C1CCCCC1)C2	2056912019	UXZUVIYWGISPCB-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CCC[C@@H]3C[C@@H]23)CCCCC1	2057361424	QBVZAYFMVYJYGC-LZWOXQAQSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C1(C2CC2)CCCC1	2057609633	RJMUBNXXUFDAHD-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC(N[C@@H](C2CCCC2)C2CCC2)C1	2059395238	IHKQFHACMJSJMB-IMRCBTMISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H]1NCCC12CC1(CCC(C)CC1)C2	2059469815	LVYIBSRINJMXIW-YSURMTKTSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@](N)(C2=CC[C@@H](C(C)(C)C)CC2)CCC1	2061119583	QKXPAEUHQBIRJD-PBHICJAKSA-N	247.426	4.587	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CC[C@]23CCC[C@@H]2C3)C1	2061574022	CNBDJHCOAOWOTI-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@]2(N)CCCCCC23CC3)C1	2062020816	PZYLJKJUBAVLNC-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@H]1CCCNC1(C2CCCCC2)CCC1	2062642058	NITKNFYYJSEELB-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC1(N)CC2(CCCCCC2)C1	2062642518	QGWOLUHMOHDZOV-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C[C@H](C(=O)C1CC2(C1)CC(C)(C)C2)C1CCCC1	2063803210	GHZCYMIYYAPYNE-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CCCC(CCC)NCC1CC2(C1)CC21CCC1	2064083110	NIMPCPAVLUWISE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)CC2C[C@@H]3CC[C@H]3C2)CCCCC1	2068773509	WROZFWQGRNLTBC-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H]2CCCC[C@@]23CCNC3)CCC1	2069342007	KTHGZXBHVBWNJM-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1C)C1=CCCCCCC1	2071501927	AZSLHJGOQGGSBJ-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(C[C@H]2CCNc3ccccc32)CCC1	2071945287	FHOOIOPHRLLDFN-CQSZACIVSA-N	243.394	4.802	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)c1cccc(C2CCC2)c1	2072767906	MXCDSRHHVFPQHR-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(N)CC[C@@H]3CCCC[C@H]32)CC1	2072793361	JMLBTQKDIVHTIT-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](NC)[C@@]2(C)C=CCC2)CC1	2072794961	ZFRZSGVDAGLXQJ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C[C@@]12CCCC[C@H]1C2	2074023296	BPOJLWVOPFTQBQ-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@]23CCCC[C@@H]2C3)CC1	2074030284	SGWVAXDVMCQWII-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@]2(CNC3CC3)CCCC[C@H]2C)CC1	2074623984	MKMLYKCLZMKKNX-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCN(C[C@@H]1CCC[C@H](C)C1)c1ccc(C)cc1	2074855732	CBMOCOYVKGEJSF-JKSUJKDBSA-N	245.410	4.648	0	10	BJAE	
CC[C@H]1CCCCCN1[C@H]1CCC12CCCCC2	2075009888	CVLFCSPZLPELMG-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
CCC1CCC(CN(C)c2ccc(C)cc2)CC1	2075297580	RLGPBQJWERBCNO-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
C1=C[C@H](Nc2ccccc2C2CC2)CCCCC1	2077262278	QCMCEOMUBWJUSM-HNNXBMFYSA-N	241.378	4.865	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CC[C@H]3CC[C@@H]32)c1	2077264919	DNUSDNSQTVEWJV-UKPHBRMFSA-N	241.378	4.555	0	10	BJAE	
O=C(CCC1CCCCC1)[C@H]1C[C@H]1C1CCCC1	2079491678	KTYCDGOJZUROIN-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(NC[C@@H]2C[C@H]2C(C)(C)C)cc1C	2079619826	NIHJZXMOJAOOFA-GOEBONIOSA-N	245.410	4.652	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CCCC2(C)CC2)c1	2082951389	SZJRQUCFCRMPDY-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CCCCCC[C@@H](O)c1sc(C)c(C)c1C	2211701037	WQKHRHNGUBVCDI-CYBMUJFWSA-N	240.412	4.677	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213284526	IVFVEOWQHLZWEJ-UNRWJOCCSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](CCC1(C)CC2(CCC2)C1)NCC	2215400353	FRQRVDARBFLREU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
O=C(C1CCCCCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218310417	WKNPTVKGXKLFSK-FOLVSLTJSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](CC2C[C@H]3CCC[C@H](C2)C3)CC1=O	2218374175	NHEUBWVQNRLYMM-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(CNC2CCC(C3CC3)CC2)CC1	2218895496	WDUPRASUTVQVSO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)C/C=C/c1ccccc1	2219062020	IOAPAYLWVAUXKL-RZXPCSSPSA-N	246.394	4.523	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC=Cc1ccccc1	2219079933	FJYKIZHYGQVSME-QGZVFWFLSA-N	243.394	4.554	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC=Cc1ccccc1	2219091857	DFEDVAXXDAGXDG-QGZVFWFLSA-N	245.410	4.634	0	10	BJAE	
C[C@@H]1CC[C@H]1CN[C@@H]1CCCCC12CCCCC2	2220605250	HSJLEHJVEIIOMC-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H]1CC1(N)CCC2(CCCCC2)CC1	2220672954	OJRLXXRRPRITGR-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@H](CN(C)[C@@H]2CCCC(C)(C)C2)CC1	2221611510	DJBJIPNQHQQMHH-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@]1(C)CC=C(C)CC1	2221626727	SZZTZVZFXARZRI-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](Nc2ccccc2F)C1	2222254964	DTDFXGHGWOSYCL-OLZOCXBDSA-N	249.373	4.843	0	10	BJAE	
C1CCN[C@H](C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	2222933294	KVUQIXQROLROKW-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@]1(CNC2CCC2)CCCCC12CCC2	2223541427	ILFJZADZALRKAB-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc([C@H](N)C(C)(C)CC)s1	2242598658	HOYMHOIRTCSHET-ZDUSSCGKSA-N	239.428	4.527	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@H](C)C(C)(C)C)C1	2246659844	LFYACRMUXXEJOU-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCCc1nc(Cl)cc2ccccc12	2246873908	DMKKUPJMINDLLW-UHFFFAOYSA-N	245.753	4.787	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2CCC2(C)C)cc1	2247395561	YIWJIDDQSDAGDI-AWEZNQCLSA-N	231.383	4.658	0	10	BJAE	
CC[C@](O)(CC1=CCCCC1)C1CCCCC1	2247460983	HYBDFLBMTXAGBM-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCNc1cccc(C(C)(C)C)c1	2249308664	TWEPYNKUXOEJPH-UHFFFAOYSA-N	231.383	4.752	0	10	BJAE	
CCC[C@@H](CC)CN[C@H]1CCCCC12CCC2	2250383138	WODFSLQGOTVYNA-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@@H](O)CC1CC(CC(C)(C)C)C1	2251535148	LQPBBYSILADPNZ-PPWQZUPISA-N	240.431	4.636	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C[C@@H]1CCCCC12CC2	2253805075	LEFPKMZEIVERPO-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1CCC1)CC[C@H]1CCCCC12CC2	2253825032	RLYQVVWQGIIVDP-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@H]1CCCCC12CC2)C1CCC1	2253833962	UXKUFZWYEKDECI-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CNCC2CC3(CCCC3)C2)CCC1	2254077447	RSIBCSKMJUYCIK-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN1CCC12CCCCCC2	2254588298	SJCKPNZXUBQJLZ-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)C[C@H]1CCC12CCC2	2254821825	MKSZLBUIRXXFCE-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)CC[C@@H]2CCCC23CC3)C1	2255246320	OASNNIYMHMTSQX-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(C(=O)CC2(CC)CCC2)cc1	2256238757	BIKXSAZDMJAZRJ-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)CC1C[C@@H]2C[C@H]2C1	2257304421	RCFAYXGBKMVYNP-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)c1ccc(CC)cc1	2259431856	YPSOUMZVJJPQKD-DOTOQJQBSA-N	247.426	4.726	0	10	BJAE	
O=C(C[C@@]12CCC[C@H]1CC2)C1CCCCCCC1	2260581274	YZSSWICFJYRDKE-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@]23CCC[C@@H]2CC3)CC1	2260653071	WODBMYBSYLXVCB-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@]1(F)CNc1cccc(C2CCCC2)c1	2260661553	FSHHYJSXXVESOB-MLGOLLRUSA-N	247.357	4.504	0	10	BJAE	
CC(C)(C)CC1CC(C[C@H](O)c2ccccc2)C1	2261263023	FFJGFHABYQSSKV-XUJLQICISA-N	246.394	4.573	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](C[C@@]23CCC[C@H]2C3)C1=O	2261448815	IBMZUVSHUCLTJK-AHIWAGSCSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@@H]1CC)CC(CC)CC	2298125959	GXIUVMPVKOSOJP-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1C[C@@H]2CC[C@H]1C2	2298413774	MDQGYJIOEHYPDO-ILXRZTDVSA-N	236.399	4.598	0	10	BJAE	
CCCc1ccc(C/C=C/c2ccccc2)s1	2300632016	PNZZJXODVUILEI-UXBLZVDNSA-N	242.387	4.957	0	10	BJAE	
CCNC[C@@]1(CCC(CC)CC)CCC1(C)C	2300687624	DVZBFZJZDIRLPN-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(=CC[C@@H](N)[C@@H](C)C1CC1)CCCC(C)C	2300871502	GFJWHZWYBCAYSH-GOEBONIOSA-N	237.431	4.523	0	10	BJAE	
CC(=CCC1=C[C@@H](N)CCC1)CCCC(C)C	2300887826	KOALMQVXIDFNAR-INIZCTEOSA-N	235.415	4.587	0	10	BJAE	
CCC(C)=CC[C@]1(N)C[C@H](C)CC[C@@H]1C(C)C	2300919991	BMGMGRFQZZBMGW-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CC(C)C(NCCCC1=CCCCC1)C(C)C	2302317345	GQVNCSAWZVXBCQ-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H]1CCC(C)(C)C1	2302752275	CBOCZMXTXMQUML-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCc1cscc1NC[C@@H]1C(C)=CCC[C@H]1C	2302882298	HYNFKMLXBRMLJA-TZMCWYRMSA-N	249.423	4.715	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1cccc(C(C)C)c1	2303658275	GWDMUGKXSGHPIA-CZUORRHYSA-N	234.383	4.670	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1cccc(C(C)C)c1	2303717882	QPGBOXBODDXMOQ-XEZPLFJOSA-N	234.383	4.526	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCC(C)(C)C1)CC(C)(C)C	2304412553	UVWYDRYFGIQDAP-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CC[C@H]1CCC(C)(C)C1	2304418961	VUNCSJHHXJHDTH-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)CC1(CN)CCC(C)(C)CC1	2307824609	XGHLJTHQDAGWBZ-CQSZACIVSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C12CCC(CC1)CC2	2307901749	ZIJYMAHTXXCJNW-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H]1CCCC[C@H]1CC	2307908771	ILHBXAPTJRFNFT-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)[C@H]1CCCCC12CCC2	2310427262	WTMDNUYBWWSHMV-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C)([C@@H](N)C[C@@]23CCCC[C@@H]2C3)CC1	2311149594	OSRZTXHFSKMWAC-QLOXVCQLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCCCC1	2311569526	OMJNZGJHCHKBBB-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](N)CC[C@H]1CCCCC12CC2	2312667631	NPAAZMUTTFMFBE-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)[C@@]23CCCC[C@@H]2C3)C1	2312670181	LVEIWBWIEALHOG-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCCC1)NC(CC1CC1)CC1CC1	2313610782	ZDMCDLRRRHDZHA-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCC(C)=CC[C@H](N)c1cccc2ccccc12	2316502866	MOKHSNPVHIXBAE-KRWDZBQOSA-N	239.362	4.586	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H]1C[C@@H]1C1CCCCC1	2316511445	SPBHJJYCQPQFIA-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1(CC2CCC2)CC1	2316531387	DYADSNDDFFOHRL-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)CC1=CCCCC1	2316538131	VIPWDYWHWATREW-KRWDZBQOSA-N	249.442	4.992	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)CC2CCCCCC2)CC1	2316874457	RIHCAFPRTGCFSK-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2)C(C)C	2317142404	FYBUFTUHPNFEJF-FPCVCCKLSA-N	248.410	4.620	0	10	BJAE	
COc1c(C)cc(N[C@@H](C)CC(C)(C)C)cc1C	2317367496	BILQXGVQSFAJJN-ZDUSSCGKSA-N	249.398	4.549	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@@H]1CCC[C@H]1C	2317534278	PLGJAASXIQHFJW-YPMHNXCESA-N	245.341	4.525	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CC1=CCCCC1	2317571318	ASSZSUHLQYGZBT-UHFFFAOYSA-N	243.325	4.589	0	10	BJAE	
CC(C)[C@H](N[C@H](C)[C@H](C)C(C)C)c1ccccc1	2317662803	FCMUCDXPROWPLZ-INMHGKMJSA-N	247.426	4.654	0	10	BJAE	
CC[C@H]1CC=C[C@](O)(CCCC2=CCCCC2)C1	2318547476	BXFXPYRFKDZZQI-RDJZCZTQSA-N	248.410	4.764	0	10	BJAE	
CC1=CC[C@@H](CNCCCC2=CCCCC2)CC1	2318567216	CXOZCMSUFOWMTA-QGZVFWFLSA-N	247.426	4.603	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@@H](C)N1CCCC1=CCCCC1	2318576596	QQUGFIBTQFXCOO-MUJYYYPQSA-N	249.442	4.776	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)[C@H]2CC23CCCCC3)C1	2319121060	JMJYDVSGUQOJQX-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C=C2CCC[C@@H](CCN)C2)CC1	2320332807	APKXRAYYFOVKES-RDJZCZTQSA-N	247.426	4.588	0	10	BJAE	
CC1=C(C)C[C@@](CNC2CC2)([C@H](C)C(C)C)CC1	2320398792	SQKVLBFLKFAGAH-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](C[C@@H]1CCC(C)=C(C)C1)NC	2320421846	DLZFPMQKKNSMBV-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC12CC(C(=O)C(C)(C)C3CCC3)(C1)C2	2321586474	FRCKUPIVWOJLEA-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1(C)CC1)c1cc(C)ccc1C(C)C	2327657444	MIFPAFKRCOJDEO-INIZCTEOSA-N	245.410	4.569	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@@H]2CCC[C@H]2C)c1	2327674808	DLLXOAZFSZXHJN-FRFSOERESA-N	246.394	4.588	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@H]2CCC2(C)C)c1	2327677152	FZECDYUFNUGXGE-HZPDHXFCSA-N	246.394	4.588	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@H](C)CCC(C)C)c1	21513124	VQYDBGYJDDIABT-CVEARBPZSA-N	247.426	4.779	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1C[C@H](C)CC(C)(C)C1	35135638	QJVAEGMISDDVGF-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1ccc(CC(C)C)cc1	35459582	GNAFNGTWZVKBFM-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CCC[C@H](C)Nc1ccc(OC2CCCC2)cc1	37015981	FHJBDBXARSPWKK-ZDUSSCGKSA-N	247.382	4.609	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCC[C@@H]1CC	37031842	SBTPZKXQBQETJJ-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](c1ccccc1)C(C)C	37281120	LUDQLTITKFANJF-GDBMZVCRSA-N	233.399	4.552	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(C(C)(C)C)cc1	68874661	XYUWHXHHIUXSAA-INIZCTEOSA-N	248.410	4.988	0	10	BJAE	
CCCCCCC(C)(C)[C@H]1CC[C@@H](C)C[C@@H]1N	69406198	XRVOHLIJNMRZAQ-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cccc3c2CCCC3)C1	80426110	FAROOZKDOWDEFB-DZGCQCFKSA-N	243.394	4.556	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NC2CCCCC2)CC1	86921987	ISIAKUDOBWVKDP-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](CNC(C)(C)C)c1ccc(C)cc1	93138411	LTDAODLVOBJZOW-MRXNPFEDSA-N	247.426	4.657	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1	109751774	LZMKXLHGERIFRU-XJKCOSOUSA-N	243.394	4.585	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCC(C)C)NCC	124980571	MYSKKRUUHUZYSJ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CC[C@H](C)c2ccccc21	136964818	JLTCLOVFCHDFNP-GRDNDAEWSA-N	245.410	4.793	0	10	BJAE	
Cc1ccc(F)cc1C(=O)C1CCCCCCC1	158856491	AXELOGHQPQPGSB-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC(C)NCC1(C2=CCCCC2)CC(C(C)C)C1	161453261	YOURMQDGNJIHBV-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)c1c(C)cc(C)cc1C	162080357	ZGKCFOGEBWRSAD-MLGOLLRUSA-N	247.426	4.699	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H]1CCC[C@H](C)C1	165831712	YSWMOADFWJOALB-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@H](CCCC(C)C)c1cccc(C)c1	166088869	YNHLUHFNFIIOQB-KRWDZBQOSA-N	247.426	4.514	0	10	BJAE	
CC(C)C/C=C/c1ccccc1Br	197066710	CNQHMZLWKUYWDJ-VMPITWQZSA-N	239.156	4.508	0	10	BJAE	
CC(=O)c1ccccc1[C@@H]1CCCC(C)(C)C1	216514392	UUEYNFLCNRPXDP-CYBMUJFWSA-N	230.351	4.573	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCC[C@@H](C2CC2)C1	224935868	WBKHKYQQEPZKKF-ZIAGYGMSSA-N	247.357	4.515	0	10	BJAE	
CCCCC[C@@](C)(O)[C@@H]1CCC[C@@H](CC)C1	226855155	WTJOVFBTNINUET-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)[C@@H]1CCCCC1(C)C	226870030	YKHQCNRZXUBUTQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](N)c1cc2cc([C@H](C)CC)ccc2o1	232359602	LVYZGEPELIGKNF-BXUZGUMPSA-N	245.366	4.746	0	10	BJAE	
CCCN[C@H](c1ccccc1)C1(C)CCCCC1	233179164	DMKRBJHGIOBABW-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCC[C@@H](NCC(C)(C)C(C)C)c1ccccc1	233294702	BRSFHBSZFVNKGZ-MRXNPFEDSA-N	247.426	4.800	0	10	BJAE	
CCN[C@@H](CCCC(C)C)c1c(C)cccc1C	233525621	BPGLNWWFZPPIEN-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H](c1c[nH]c2c(Cl)cccc12)C(C)C	233992703	HHSMDJBFFGNDCU-SNVBAGLBSA-N	235.758	4.971	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC(C)(C)C[C@H]2C)c1	235314123	LQGXCXYPGNODSB-UKRRQHHQSA-N	231.383	4.540	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNCCC2CCCCC2)C1	235665658	FRDRYORYTQJBSM-PBHICJAKSA-N	249.442	4.539	0	10	BJAE	
Clc1cccc(Cl)c1N[C@H]1C=CCCC1	236040928	GCSJFKCOOZXBND-VIFPVBQESA-N	242.149	4.514	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)[C@@H]1CCCC[C@H]1CC	250388807	HGSLHEMZFFPFDD-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H](C)c2ccccc2)C1	300473899	YEFRWSKIGAOVEQ-IIAWOOMASA-N	244.378	4.576	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)c1sccc1C	300845337	KGYFOEFBEPNINL-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCc1ccc(NCCC2CCCC2)cc1C	302290388	KNHINALLAVGICP-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
Fc1c(C(F)F)sc2cccc(Cl)c12	307505092	PYJJAIIRFFRZDC-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](CCC1CCCC1)NC	308055100	BQJBWXDTYFGCBF-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
ClB([C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1C2	309351768	FIZRDRGODZJEDW-SNIKSBKOSA-N	236.595	4.597	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)CC1(C)CCCC1	310220584	FXXSJKQLNLIYCL-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@H](CC2(C)CCCC2)C1	310325180	AIXCUJDZEYEAQY-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(N[C@@H]2C=CCCCCC2)CC1	310629768	ICIKLMZXCXQDRC-AQFXKWCLSA-N	249.442	4.824	0	10	BJAE	
Cc1c(F)cccc1N[C@H](CCC(C)C)C1CC1	310773722	OYSPIPFCXOQCLE-MRXNPFEDSA-N	249.373	4.761	0	10	BJAE	
CCCC1([C@@H](N)c2cccc(C3CCC3)c2)CC1	310957338	SPBJIDHRSJZXHR-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2	314709403	SPKBYKCBRWUJJB-OXJKWZBOSA-N	249.785	4.577	0	10	BJAE	
CCc1cccc2ccn(CC3(CC)CCC3)c12	381235239	JFNRDVZIMJGPST-UHFFFAOYSA-N	241.378	4.784	0	10	BJAE	
CC(C)CCCCCC1(N)CCCCCC1	383211259	PXBUYSVVDMVTHI-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CC(C)CCCCC[C@]1(O)C[C@@H](C)CC[C@H]1C	383586954	WZNXMKFWRTWLDJ-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCCCc1ccc(NC[C@H](C)C(C)C)cc1	383826808	IEGYVADJTZJLQK-AWEZNQCLSA-N	233.399	4.733	0	10	BJAE	
Cc1ccc(N[C@@H](CCC(C)C)C2CC2)cc1	383905989	XHDQRSCTYQIHOO-INIZCTEOSA-N	231.383	4.622	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)c1cccc(C)c1	384546440	CEUQARXVWVXEJY-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
Cc1ccc(C(=O)CCC2=CCCCC2)c(C)c1	385669778	HJZIZSLFLQVZFY-UHFFFAOYSA-N	242.362	4.767	0	10	BJAE	
C[C@H](CC1CC1)Nc1cccc2ccsc12	386200351	DWWFAWZCUROIPG-SNVBAGLBSA-N	231.364	4.502	0	10	BJAE	
CCc1cccc(N[C@@H](CC)C2CCCC2)c1	387623816	CPSUQFLJBGSNES-INIZCTEOSA-N	231.383	4.630	0	10	BJAE	
CC[C@H](C)CCNc1ccc(OC(C)C)cc1C	394411172	PLLATMMMPRYPEI-ZDUSSCGKSA-N	249.398	4.630	0	10	BJAE	
CCN[C@H]1CC[C@](C)(CCCCCC(C)C)C1	394811239	KKOVYWSWTIYHPK-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCOc1csc2ccc(C)c(C(F)F)c12	396256768	YFDMPXUCRMSAKE-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CC(C)=CCCN[C@H]1CCC[C@H](CC(C)C)C1	397678155	RMNNYRORYMUOIL-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1NCC12CCCCCC2	401660770	PJTRHSFHFCIUAI-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC1CC1)c1cc(C)ccc1C	405897994	ZYQBQZZAMZGCQY-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC(C)c1cccc(C(=O)C(C)(C)C2CCC2)c1	688931891	ZGFFEQPNLKNXDT-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
Cc1cc(C(F)(F)F)c(C)c(Cl)c1Cl	689696862	QGSOYSNKVXQQAI-UHFFFAOYSA-N	243.055	4.629	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCCCC[C@@H]1C(C)C	691171939	WXJITFHASVHHQN-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
C1CCCC(N[C@@H]2CCCC[C@H]2C2CC2)CCC1	696113661	WGNKEIBKFGRGNY-DLBZAZTESA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCC(C)(C)C[C@H]1C	696676243	ANRASHYHYMPXTD-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1cccc2ccsc12	697599070	OWCHXWWXMBPIEZ-CQSZACIVSA-N	246.375	4.681	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCC[C@@]1(C)O	699672859	VYLAWXUQEZQIJH-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)[C@H](N)C1CCC(C(C)(C)C)CC1	701103990	XWPYZYXLXUNFNA-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](C)(NCC1CCCCCCC1)C1CC1	701116064	FNKKZXZAEGNGKH-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H](C(C)(CC)CC)C1	701154017	VBLGJBHNCLTICY-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C(=O)C(CC)(CC)c1ccccc1	701270370	ICPHQYYQZCBPOJ-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
C[C@@H](C(=O)c1cccc2ccsc12)C1CCC1	703026324	MHDXNDNEUYZPTI-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
Cc1ccc([C@@](C)(O)C[C@@H](C)CC(C)(C)C)cc1	709071221	NLICXQIRMLPJFY-YOEHRIQHSA-N	248.410	4.665	0	10	BJAE	
C[C@H](C[C@H](O)[C@@H](C)CC(C)(C)C)CC(C)(C)C	709170768	XOOSHDFXWLFTCY-RDBSUJKOSA-N	242.447	4.882	0	10	BJAE	
CC[C@H](CC(=O)CCCC1CC1)C(C)(C)C	711111960	BPRUGQHPKIXTPJ-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCNC[C@@](C)(CCC)C[C@H](C)C(C)(C)C	711180105	BEXZUFXUHPMIKC-HOCLYGCPSA-N	241.463	4.865	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)C1C(C)(C)C1(C)C	713765035	UVQZJZRCHHYBLE-CFYYFVFUSA-N	249.442	4.559	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C(C)(C)CC	718538828	KPHBSYAVGZPWES-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C)CCC(C)(C)C	718551525	RXENFJMHGGKGKC-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CCc1cc2ccccc2o1	718775411	GCCYYSNJXSPQBZ-UHFFFAOYSA-N	214.308	4.722	0	10	BJAE	
CCCC1(CN[C@@H]2CCCCCC2(C)C)CC1	719294685	ULBULSKOGOWODH-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC2CC(C)(C)C2)CC1	723563483	QNWCFSFBTGURPF-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H](C1CCCCC1)C1CC1	723982104	LHEZJCXRARTNQS-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(-c2ccccc2C2(C)CC2)c(F)c1	757572827	UJDSZJPJNAETJL-UHFFFAOYSA-N	240.321	4.853	0	10	BJAE	
CC1(C)CCC[C@@H](NC2CCC3(CCC3)CC2)C1	1205430541	BIGRFJVSVKYUHU-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](CC)SCCC1CCCC1	1651963507	DOVJDPBMIBLJGJ-CYBMUJFWSA-N	214.418	4.879	0	10	BJAE	
CCCCCCN1CCCC2(CCCCC2)C1	1652460248	SQFACQCDLWKMMP-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
CCC(CC)CC[C@H]1CCCCCC[C@@H]1O	1900700708	JNZWHRPRCSAEDY-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CCC(C)=CCC(=O)C[C@H](C)CC(C)(C)C	1900901651	WGMOBUDRWKEWBR-ZDUSSCGKSA-N	224.388	4.764	0	10	BJAE	
CCC[C@H](CC)CC(C)(C)CN[C@@H](C)CC	1905381288	IEVLNVTWIRXFMX-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)C(=O)[C@@H]1C[C@H]1C1CCCCCC1	1910661275	OTIHMEASONZYSQ-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@@H](CCC1CCCC1)NCCC	1911919775	YRHGZDRYEGUMAJ-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CC(C)NCC(=C[C@]1(C)C[C@H]1C)C1CCCCC1	1912084374	DLNAVHIDVFQTBC-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NC1CC2(CCCCC2)C1	1912698367	SPAGJNGOAABPKF-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@@H]1CCCCCCCC[C@H]1O	1913397828	KAFIKMBBIKVJAA-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CN[C@H]1CCCCCCCC[C@H]1CC(C)(C)C	1913411477	BKIDZPALEGENBG-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCC2(CCCCC2)C1	1915915136	VUAZMANWTSWKHZ-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CCCC1(CNC[C@@H]2CCCC23CCC3)CCC1	1921583171	KQWYOFVSGLDSNG-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](O)CCCCCC1CC1	1923887827	ARNBBDOKHZIZOU-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@@H](C)C1CCCCC1	1924130446	OOWNCMDXXWPYRD-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C1=C[C@@H](Cc2ccc(C3CC3)s2)CCCC1	1925875165	RNIHIXYRGPWNNE-GFCCVEGCSA-N	232.392	4.914	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2C[C@H]3CCC[C@H]32)n1	1936500559	PIMKNAOVVLQBQW-IRCOFANPSA-N	235.396	4.560	0	10	BJAE	
CCCC[C@H](O)CC[C@@H](C)C1CCCCC1	1939133971	KLSAONSDELDOFI-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC1([C@H](O)CC2(C)CCCCC2)CCCC1	1940405721	DKHLAYRJKOWAIV-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H](CC(C)C)C(C)C	1941246011	OODGDLMBVNENBZ-CABCVRRESA-N	242.447	4.882	0	10	BJAE	
CCCC[C@H](CC)NCCC1CCCCCC1	1941719706	DRNXHKKBTXIZHX-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCCCCC1(CNC2CC2)CC(C)(C)C1	1941986011	RQOFCZOEIGSFGU-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)CCC1CCCCC1	1944789950	KTYYVVWBVHEUEB-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)[C@H]1CCCC[C@H]1CC	1947515425	MBUKYGMDQTWJSP-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CO)CC12CCCC2	1948135125	FUVMXMBWFGFVBD-GDBMZVCRSA-N	238.415	4.536	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1CC(C)(CC)C1	1948404791	DHZQZZXBTMVSKO-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](NC)[C@@H]1CCC2(CCCC2)C1	1949527690	BRSGYMSEEUJFGK-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCCC(C)(C)CC1	1950917589	GJLJJZVRLWJLIA-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
Cc1ccc(NCC2C[C@H](C)C[C@@H](C)C2)cc1C	1968254936	OUPYDJCEAUNUCS-CHWSQXEVSA-N	245.410	4.788	0	10	BJAE	
CCC1(CC)CCC(Nc2cccc(F)c2)CC1	1968262155	GUTCTWUNKXLSOB-UHFFFAOYSA-N	249.373	4.987	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CCC2(CCC2)C1	1968277376	RHMKDAKFJOVELI-ZDUSSCGKSA-N	249.785	4.783	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2CCCC3(CC3)C2)c1	1968308743	YYSQMQAARUURHR-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
CC[C@@H](NC1CC(CC)(CC)C1)c1ccccc1	1969296476	IIYFIVFIDLZNRE-MRXNPFEDSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCc2c(C)cccc21	1969351999	ZFBDRNLSNQSJBG-WMLDXEAASA-N	245.410	4.541	0	10	BJAE	
CCC[C@@H](NCC12CCC(CC1)C2)C1CCCC1	1970847252	CZMDIKPNLHIMJI-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)CN[C@H](CC)C[C@@H](C)CC	1973170408	LHNQNDHZHADTRU-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1csc([C@@H]2CCC[C@H](C)CC2)n1	1976348571	CZERRSJZJJMWLX-NWDGAFQWSA-N	237.412	4.950	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1cc(C)c(Cl)cc1C	1977429266	YECGJZPEBPDDFK-YPMHNXCESA-N	237.774	4.557	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC2CC(=C3CC3)C2)C1	1985535434	URXRUPPGGALZDX-ITGUQSILSA-N	218.384	4.949	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC1(C)CCCC1	1986942840	DUPWWDQPYPFDGK-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
Cc1sccc1-c1nc(CC2(C)CC2)cs1	1995467035	HIWIZMGVHXKVOT-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
CC[C@H](C)[C@@H](C)n1ccnc1C1CCCCC1	1995885637	OMDAHLILPHFHDQ-QWHCGFSZSA-N	234.387	4.538	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)C1CCC(C)(C)CC1	1996594002	IZMAYKZBYWIYEY-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(C)CCc1ccc(CC2CC2)cc1	1996626469	RRHHGUNLDAVQKI-UHFFFAOYSA-N	228.379	4.928	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H]1CCC2(CCC2)C1	1998692956	IJUCUFRBOWKOED-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@@H]2CCCC(C)(C)C2)C1	2000099957	RPAXNZWNONLORM-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CCC(F)(F)CC	2000196209	FKNNOHIHKAGIOA-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@H]1CC[C@@H](C)C1	2000508946	MXLJZWUCFQMUTO-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CNC)CC1CCC=CCC1	2000515765	RZFXSZLPPMPHTB-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)CC1(O)CC2(CCCCCC2)C1	2000668929	DCLDBZGTKJWQRM-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCCC1CCC([C@@H](O)CC2(C)CC2)CC1	2002506570	CVTCAHUGTGANSW-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)C1CCC(CC)CC1	2002922707	CGQJZFQSFHSHBD-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NCC)[C@@H](C)C1CCC(CC)CC1	2002926149	OLPWLPTVKDLCSS-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)CNC[C@H]1CCC[C@@H](C)C1	2004711589	LMJMGSSLVGNZSW-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@@H]1CCCCC12CC2	2005563173	IILCJHAGHDRAMU-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1C[C@@H](CC2(C)CCCCC2)C[C@H](N)C1	2006626127	CCUUNTWKUSAHMO-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)C[C@@H](C)CC	2007804226	YRGZXFYHTHRMNF-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C=C1CCCCC1	2007963274	IOUUDECESWECDO-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@](CC)(CCC1(C)CC1)CNCC	2009544309	OMCQHQUKZCUPTP-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCCCC[C@@H]1C(C)C	2009571145	GYSGMGVEOMWCEI-FZZYSBJUSA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@@H](N)c1ccc(C(C)C)cc1	2009571149	GZPDNIMYFRTOPO-MRXNPFEDSA-N	231.383	4.556	0	10	BJAE	
C/C=C/CCC[C@H](CCC1CCCC1)NCC	2009620250	SXOOACSZIKRYGM-LLCTXKFZSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(NC[C@@H](C)CC(C)C)C1	2009790794	CHJHGWSXSLUZJN-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](N)C1=CC[C@H](CC)CC1	2010737765	KPAQZGUYYBWYLW-XJKSGUPXSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H]2CC(=O)CC(C)(C)C2)C1	2012084427	OFQPRYZEZQVFGQ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](CCC(C)C)(CNCC(C)C)C(C)C	2012413716	UHOUZHBULWGVNL-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC(C)C)CCC1(C)C	2014849799	QIIPOFHPBZZOCM-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(F)F)C[C@@](C)(N)CCC=C(C)C	2016119871	OIXPGUQGZHLTGC-OCCSQVGLSA-N	247.373	4.522	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)[C@H]1CCCC(C)(C)CC1	2016412656	SAUNSSRAYJRXLN-WWGRRREGSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC1(C(C)C)CCC1	2017141061	MKOUCRFCAYPOIG-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCCC1(CN[C@@]2(C)CCCC(C)(C)C2)CC1	2017618648	PMHBMUKOSJYMRP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(O)CC2CCC2)CC1	2017653599	VKFCHJJWUXZVJU-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)CN[C@]1(C)CCC(C)(C)C1	2017918202	QNTUXQLNEGOOFN-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC1=C(C)[C@@](O)(CCC2=CCCCC2)CCC1	2019766386	GXVOHFGISGRYQW-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
CCCCN(CCCCF)C1CCCCCC1	2020505688	GHTZJYGDLLGELQ-UHFFFAOYSA-N	243.410	4.561	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H]1C[C@@H]1CCC	2022383699	LAMOVMZMXRFEOE-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCSc1ccccc1NC[C@H]1C[C@H]1C(C)C	2022476763	DXTYYQIPRSQROE-OLZOCXBDSA-N	249.423	4.503	0	10	BJAE	
CC1(CNC2(C3CCCC3)CC2)CCCCCC1	2027387711	YYMMLHUPMKAIGW-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)c1cc(C)ccc1C	2027822120	OUOWFCNGOKTHLO-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@H](C=Cc1ccccc1)CC(C)(C)C	2028583547	LGYMPGXVSGPRTJ-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
CC(C)(C)C1CCC(=C2CCC(CN)CC2)CC1	2030039781	IZJHVFJKQJYUKI-UHFFFAOYSA-N	249.442	4.668	0	10	BJAE	
C1CCCC(NC2C[C@@H]3CCCC[C@H]3C2)CCC1	2034143684	GMDZDHWABDBFHB-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NC[C@@H]2C=CCCC2)CC1	2035566274	TZHHZADICLHTQH-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C2(N)CCCCCCCCC2)c1	2035885435	GJFHHDUJUDUMCD-UHFFFAOYSA-N	245.410	4.674	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@@H]1CC12CCCC2	2036129544	QZHJEPXLYOMPPG-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C2CC3(CCC3)C2)C1	2037135486	KHNMKZYSZTWTMY-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C[C@H]1C=CCCCC1	2037273914	DPBOHTYHFYTPEX-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
CC1CCC([C@@H](N)[C@@H]2CCC3(CCCC3)C2)CC1	2037595100	UPYRVHKUSYLLNS-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@H]1C=CCC1)CC1CCCC1	2038103219	LUGPQPGQHIBOOU-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@H]1CC12CCCCC2	2039007422	YNTOAVJMOFVCNX-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CCC2)C1(C)CCCCC1	2039872283	LTFHUQONELBGDH-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC[C@H](CC2(N)C[C@H]3CCCCC[C@@H]3C2)C1	2040169903	RZRYYSHLPADYJR-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CC2)C1)C1CCC(C)(C)CC1	2040642147	SSFFXJCGKBKRFE-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
N[C@@]1(C2=CCCCCCC2)CCCC2(CCC2)C1	2041299657	KMCOVJYFNHZIFF-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CN[C@H](CCC[C@H]1CC1(C)C)[C@]1(C)CC=CCC1	2042031769	WKACTHRYJKHWLP-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)c1ccccc1C1CC1	2042275848	VYHGVCBNSLTOFP-JSGCOSHPSA-N	242.362	4.573	0	10	BJAE	
CCCCCC[C@H](C)NC1C[C@@H]2CC=CC[C@H]2C1	2042345540	ROSXFWPSQMCVQX-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1	2045452264	ZMTVHAYHQRYVQJ-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCc1occ(C)c1C(=O)[C@H]1CCCC(C)(C)C1	2045458672	VWMSEEQIVMSBAH-LBPRGKRZSA-N	248.366	4.550	0	10	BJAE	
CCCCCC[C@H](NC)c1ccc([C@@H]2C[C@H]2C)o1	2045742715	CRCQLOXBEKDOET-MCIONIFRSA-N	249.398	4.634	0	10	BJAE	
CCCN[C@@H](C=C(C)C)c1cc(C)c(C)cc1C	2045778552	FHPWCCHBBFGJPB-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)C[C@@H]2CC23CCCCC3)C1	2047013251	UJZQBXNRRUAFIQ-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCCN1C[C@@H]1CC12CCCCC2	2047031770	ZZLJLJZJCGMJIP-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(C[C@@H]2CC23CCCCC3)C1	2047060200	VTBDIPSQRHCVNX-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047405372	BIPJFFBATNSBFH-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2[C@H]3CCCCC[C@H]32)C1	2048366809	UBRGHZBYGMZPRN-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C(=O)C2[C@H]3CCCCC[C@H]23)CC1	2048368605	BDAOBAJZKPQBRZ-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@H](N)CC2[C@@H]3CCCCC[C@@H]23)CCCC1	2048441809	QTBXIANTRVCJLV-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCC1)C[C@@H]1CCCC2(CC2)C1	2049949991	DFLFGQAIPMPQRM-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
Cc1cccc([C@H](O)CCC2CCC=CCC2)c1	2050424800	DFFJNYFPKMBTEZ-QGZVFWFLSA-N	244.378	4.555	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1cccc(C(C)(C)C)c1	2051399406	CMARAWAHKDZZSX-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC1(C)CC(CC(=O)[C@@H]2CCCCC23CCC3)C1	2053361498	XPNZTJDCXQYYLK-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](c2ccc(C(C)C)cc2)C1	2055140243	VZPCBUWLMFSLNA-CJNGLKHVSA-N	244.378	4.673	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCCC(C)=C2C)CC1	2055552900	UEUWAZMYHSSGHA-ZACQAIPSSA-N	249.442	4.824	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CC2CCC=CCC2)[C@@H]1C	2055617041	VTIKWWJFVTYDOJ-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](c1ccoc1)C1(C)CCC(C)CC1	2056563525	ZJPAPNGVXLVTIZ-SIWZUTFBSA-N	249.398	4.537	0	10	BJAE	
CC=C(C)[C@H](NCCC)c1ccc(C2CC2)cc1	2056774209	ATGCFXRRCNWAGN-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC=CCCC[C@H](NCC)C1CC(C2CCC2)C1	2059259156	MRCISMDSUNLKOZ-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N)(CCC2=CCCCC2)C1	2059496721	DCDUPMSSHIRXJO-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C1=CC[C@@H](C)CC1	2060920788	HBPZLZXPBYMPLB-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@@](N)(C2=CC[C@@H](C(C)(C)C)CC2)CCC1	2061119584	QKXPAEUHQBIRJD-RHSMWYFYSA-N	247.426	4.587	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@]2(N)CCCCCC23CC3)C1	2062008150	BTDONCSWTBGOCS-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCCCCC23CC3)CC1	2062020642	ORRWRSCLTXESSV-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC23CCCC2CCC3)C1	2063905951	RASVGUWSOYTPAF-JUVOFCAFSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]1CC[C@H](CC23CCC(CC2)CC3)C1	2065339104	KASNVVPWXRTRRM-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC1CCCCC1)CC12CCC(CC1)C2	2065340025	RGKMBWZKMWENFA-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](N[C@H](C)C12CCC(CC1)C2)C1(C)CCCC1	2067509639	SBVNYMJIUUHAOI-LXTOLFJKSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NC1CC2(CCCCC2)C1)C1(C)CCCC1	2067511027	ZCHDXFFVDTWXII-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)C1CC(=C2CCC2)C1	2068836034	GXKZJTBOQRTYIA-DYVFJYSZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](NCC1(C(C)(C)C)CCC1)c1ccco1	2071936271	LKWDSXPWMPVGMT-CYBMUJFWSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)C1=CC[C@@H](C)CC1	2072090082	GVKDXPRKHZRDRE-YALNPMBYSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNC(C)(C)C)CC=CCC1	2072409367	LYOBZWJVEZQQIR-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1(C2CC2)CCCC1	2072425613	PPIDDADFXMNTQV-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(C)C[C@@H]2CCCN2)CC1	2072821927	PPPPZBKRHQIBBZ-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CN[C@@]2(C)CCC(C)(C)C2)C1	2073047742	ZMGLDAJYWXKILK-LXZKKBNFSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCCc2ccoc21	2073340326	LQIQSHXUQQQENF-CABCVRRESA-N	249.398	4.606	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1C[C@H]1c1ccccc1	2073340796	HRFDRNKIKIGUFW-GVDBMIGSSA-N	246.394	4.512	0	10	BJAE	
CC1(C[C@H]2CCNC3(CCCC3)C2)CCCCC1	2074141832	NRLNAGXSGKVOOA-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCC1(CC(=O)c2cccc(C3CC3)c2)CC1	2074593038	DCXQLZGVNKFNCR-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@@H]1C(C)=CCC[C@@H]1C	2074630154	WMFLBEMXSUOSQT-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](N(C)[C@@H]1CCC12CCCCC2)C1(C)CCC1	2075013446	TYLLQQNGFPAWSX-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc([C@H]2CCCCN2[C@@H](C)CC(C)C)o1	2075098204	NITVXDWFYNXKDA-DZGCQCFKSA-N	249.398	4.550	0	10	BJAE	
CCCCCC1CC(N(C)C[C@H]2CC=CCC2)C1	2075168206	PFCTVRSGEIQCOI-GTPINHCMSA-N	249.442	4.633	0	10	BJAE	
CCc1ccc([C@H](CC)NCC(F)=C(C)C)cc1	2076364273	RTSDOEXOBKHXGK-INIZCTEOSA-N	249.373	4.553	0	10	BJAE	
CCN(CC1CC2(CCC2)C1)C1CCCCCC1	2076556620	RWGJLIQHVYEZCV-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](C1=CCC(C)(C)CC1)[C@H]1C[C@@H]1CC	2079219777	NCAVJBDQDHIZDW-BPUTZDHNSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1C[C@@H]1C1CCC1	2079337449	OBRBURBYRGGNHT-GOEBONIOSA-N	244.378	4.625	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@@H]1C(C)(C)C)c1ccccc1	2079531267	QVVWOBWHVFYIQM-JYJNAYRXSA-N	245.410	4.552	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC[C@H]1C[C@@H]1C(C)(C)C	2079618663	GYBXWHYVYRUUOR-BMFZPTHFSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(CNC(C)(C)C)([C@@H]2C=CCC2)CC1	2081682067	MRLRGBNSIFOMEJ-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
Cc1cc([C@H](N)C[C@@H]2CCCC(C)(C)C2)oc1C	2082978679	ISNNNGZQAUOHCB-UONOGXRCSA-N	249.398	4.503	0	10	BJAE	
O=C(CCCCC1CC1)CC1CCCCCC1	2214559621	CGWFSYYWBWLWPS-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCCCC[C@]1(N)CCC[C@H](C(C)(C)C)C1	2216250329	APPJYZDOMZFMER-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC1CC(C(=O)CCCCCCCC2CC2)C1	2216877842	QNOWVKJKJLPUAS-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CCC(C)(C)CC)C[C@H]1C	2217132338	XFYKTMYWVQZXNT-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CCC(C)C)CCC1(C)C	2217139113	RQXZSAHVGNIUFV-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@]1(CN[C@H](C)CC)C=CCCC1	2217153546	MTQDEPSLMDSWJX-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
Cc1ccccc1OC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218326318	AYTPWBBLVKDUEY-ZSHCYNCHSA-N	244.378	4.590	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218332524	OIRMNDKEAPFOKE-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@@H](N)CC2C[C@H]3CCC[C@H](C2)C3)CC1	2218351849	ZYKVZMYSTMRVJV-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218359592	SPDVUMBCOQAPNZ-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)C[C@@]12CCC[C@H]1C2	2218736501	ZJCHKRMQZZBVGM-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](C1CCCCCC1)C1(C)CC2(CCC2)C1	2221005452	SMSNEXIDNOOXED-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC2CC2)CC=C(C)CC1	2221654879	QCGFDRODKJIBEF-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CCCC2)CCCC12CC2	2223601234	WENGFWDTFUFYBN-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC1(C)CC(C)C1	2246584937	LGGGVBGVAGAXHN-FYRZTWFESA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(O)CCC(C)(C)C2)C1	2246695167	SURNBHMXYLURPX-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)Cc1ccc(CC2=CCCCC2)cc1	2247506107	USVUBIURJSMWOI-UHFFFAOYSA-N	228.379	4.928	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCSc1ccc(N)cc1	2248840097	LPJCIZOCJQWWCO-CHWSQXEVSA-N	249.423	4.577	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cccc2ccsc12	2250362712	WTOHTJPZXZFCLH-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
Cc1ccc(NC[C@@]23CCC[C@H]2CC3)c(Cl)c1	2251162044	JBUZMVOTHVFGAF-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CSCCCNc1cccc(C2CCCC2)c1	2251245354	ZTZZVDMQRUHDPO-UHFFFAOYSA-N	249.423	4.509	0	10	BJAE	
CC(C)=CC[C@@H](O)CC1CC(CC(C)(C)C)C1	2251542973	QDZDJMNGSQJYET-YMAMQOFZSA-N	238.415	4.556	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC2CC3(CCCC3)C2)[C@H](C)C1	2254041029	HGAGSJIMIRSWEF-GZBFAFLISA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCCC1)NCC1CC2(CCCC2)C1	2254084661	RTOXIQKHPBSIAK-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C12CCC(CC1)CC2	2254582161	RHIOAMBSSPJNMI-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@H]1CCCC2(CC2)C1	2254583366	JTWYKFMILSFVHP-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC[C@](CNC1CC1)(CC1=CCCCC1)C(C)C	2255136584	MFQVQSYWJCLYAV-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC[C@H]2CCCC23CC3)CC1	2255227485	PGCFRYDVGBATNX-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@@H]1C)[C@@H]1CC=CCC1	2257303104	LGRNMOGODHJNNF-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN[C@H]1CCCCC12CC2	2257340431	OCJANMAMGUGLMJ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@@]23CCC[C@@H]2CC3)CC1	2260599120	DHBGRIXTGSIBNF-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@]23CCC[C@@H]2CC3)CC1	2260653070	WODBMYBSYLXVCB-DJIMGWMZSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CC1=CCCCC1)C[C@]12CCCC[C@@H]1CC2	2260679450	REQBAPSFNHMFNV-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CCCC(N)(CCC)C(CC1CC1)CC1CC1	2298909530	YWPKTKAFBSWHSK-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCc1cc(C(=O)C(C)(CC)CC)ccc1C	2299662777	MMSMJCYDZPIQQH-UHFFFAOYSA-N	232.367	4.566	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CCCC2(CC2)C1	2300673938	ONBQZCOPZRKOHX-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCC(CC)CC)C1CCCC1	2300683480	KAFZNRVESBYJEU-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@@H](NC)C1CC(C)(CC)C1	2300685199	CAACKMFWOLHZHZ-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CCC(F)(F)[C@H](O)CC=C(C)CCCC(C)C	2300862885	IXCKGBLAIWGVRN-CYBMUJFWSA-N	248.357	4.555	0	10	BJAE	
CC(=CCc1ccnc(C)c1)CCCC(C)C	2300863637	RAMVNPFBFAYUQQ-UHFFFAOYSA-N	231.383	4.705	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CCCC(C)(F)F	2300904533	PMTSBPWHKBKOSL-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
Cc1cccc2c1ccn2[C@H](C)[C@@H](C)C(C)C	2301831053	BBXPTERAIFZITK-UONOGXRCSA-N	229.367	4.803	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CCCC1=CCCCC1	2302321901	BVGKZUREIWGCMK-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CCCC(O)(CCC)CCCC1=CCCCC1	2302361146	JGNUGEVYFDBZSI-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
N[C@H](CCCCC1CC1)c1sccc1C1CC1	2302578158	WXYJPNPVFAXHHB-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
CCCC(N)(CCC)CC[C@@H]1CCC(C)(C)C1	2304435235	NJMDNZJAGCBURV-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H]1CCCN(C[C@H](CC)CCC)CC1	2307760136	DYCLOCHMUYLDNC-HZPDHXFCSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCc2cc(N)ccc21	2307827604	ZURFNDSNBDXORQ-STQMWFEESA-N	231.383	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCC(F)(F)CC1	2307839789	BSJJQRKPMJGRCU-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@H](C)[C@@H](C)CNCC(C)C	2307911630	WXAKWPBQLWRODU-JYJNAYRXSA-N	241.463	4.721	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)[C@@]12CCCC[C@@H]1CC2	2313289940	QGQNJWOMFJYHDO-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CC(C(=O)[C@@]23CCCC[C@@H]2CC3)C[C@@H](C)C1	2313304856	FPWZMERFQUXJPG-YOKBYHGQSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@]1(C)CC=C(C)CC1	2316536611	MSDOYFADYHWRBQ-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H]1CC2)[C@H]1CC=CCC1	2316874504	RTLSPKHYBPHJNJ-VGWMRTNUSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H](C)[C@H](C)C(C)C	2317990055	JOMTYZSGURTGGE-INMHGKMJSA-N	247.426	4.656	0	10	BJAE	
Cc1c(F)ccc([C@@H](C)Nc2ccccc2)c1C	2318465092	IVTSOFZOXXYQRZ-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)[C@@H]1CCC1(C)C	2318591635	AFQPZDPGMDPWEL-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)CC[C@H]1CCCC12CC2	2318931839	FELQCHQUWBRPMU-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@@H](O)CC[C@H]1CCC(C)(C)C1	2319028641	DJATYIFSJZPFFG-HOCLYGCPSA-N	246.394	4.635	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2CC[C@@H]3C[C@H]3CC2)C1	2319292911	KPDDTHRJCMMURI-BPLDGKMQSA-N	248.410	4.598	0	10	BJAE	
O=C(CCC[C@@H]1CC[C@H]1C1CC1)CC1CCCC1	2319747364	FARYVXCSKYENIQ-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2C[C@H](C)CC[C@H]2C)CC1	2320268795	TWVXTESYFBPNBE-ODVANORSSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H](C)CC2CCC2)c1	2320567358	IIDCCTLSIKCDLG-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
Cc1c(Cl)ccc2cc(C3CCCC3)[nH]c12	1517754	DLOLVYGTHFKQPU-UHFFFAOYSA-N	233.742	4.787	0	10	BJAE	
CSc1ccc([C@H](C)Nc2ccccc2)cc1	19879696	WQCJBSLNYXXNAK-LBPRGKRZSA-N	243.375	4.582	0	10	BJAE	
C=CCCCCCCCCNCCCCC=C	34485539	DZLGJJQPAHEMHB-UHFFFAOYSA-N	237.431	4.849	0	10	BJAE	
CCCCCCNc1ccc2nc(C)sc2c1	35037987	SXRYDADNCUUDQL-UHFFFAOYSA-N	248.395	4.597	0	10	BJAE	
Cc1cccc(N[C@H](c2cccs2)C(C)C)c1	37185348	DGWPHUCCSLHXBA-HNNXBMFYSA-N	245.391	4.866	0	10	BJAE	
CCCC[C@H](C)Nc1cccc(Cl)c1C	37196655	SXFSYPPADIGVRE-JTQLQIEISA-N	225.763	4.639	0	10	BJAE	
Clc1ccc([C@H]2Oc3ccccc3S2)cc1	38886018	BRBPVSZCGBNCMR-ZDUSSCGKSA-N	248.734	4.523	0	10	BJAE	
CC(C)C1CCC([C@@H](N)CCC(C)(C)C)CC1	87964769	GGUJFSDCOOBRHB-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(C(=O)CCC1CC1)c1ccccc1	88491672	RVCLTHHFCCQRLL-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC[C@H](NCC1CCC(C)CC1)c1ccccc1	109963153	ZQKWEMPVFPEJDS-DQPZFDDXSA-N	245.410	4.554	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](CC)CC[C@@H]1CNC	131823490	NAESBDRKIKBXNM-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)c1occc1C	133357087	UPPXRLGXAMTOKR-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCCC(CCCC)Nc1ccccc1	136680763	QLLLHSDGKIOLGY-UHFFFAOYSA-N	219.372	4.848	0	10	BJAE	
CC(C)c1ccc2ncc(Cl)c(Cl)c2c1	157003103	DILXEAMUDCLTRI-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CCCc1cccc([C@H](CCC(C)C)NCC)c1	157889290	TXEGCZYYTWKSGM-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CC(C)(C)NC[C@@H](C1CCCCC1)C(C)(C)C	162397477	FHELABNUPYUDFB-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc([C@H](N)C[C@H](C)CC(C)(C)C)c1C	163448649	DLAILUCREAJGNK-BLLLJJGKSA-N	247.426	4.766	0	10	BJAE	
C[C@@](F)(CCC1CCCCC1)c1ccc(N)cc1	197297329	BRTZNQCDPDMVFQ-MRXNPFEDSA-N	249.373	4.814	0	10	BJAE	
CCc1ccc2sc3ccccc3c2c1C	207132830	NTNDFEDWOCVAEA-UHFFFAOYSA-N	226.344	4.925	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1CC[C@@H](C)[C@@H](C)C1	220577541	LVIXLNMEQWOZHB-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](CC(CC)CC)c1cc(C)cc(C)c1	229166646	NSZUNMIOUSELMK-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](NC[C@@H]2CC=CCC2)C1	230771054	KCCLCGUZPDKGHT-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](NCC(C)(C)C(C)C)c1ccccc1	232734467	OOXNVKBHUJBYDC-INIZCTEOSA-N	247.426	4.656	0	10	BJAE	
CCC(=O)c1ccc(N[C@H](C)CCC(C)C)cc1	232874703	SLIOJXBUFBDWAD-CYBMUJFWSA-N	247.382	4.516	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)c1c(C)cccc1C	233169860	HQCFUDIEMOYVMV-CZUORRHYSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](C)C(=O)C(CC)(CC)c1ccccc1	233268208	LKAWTCUVOBAXLF-CQSZACIVSA-N	246.394	4.750	0	10	BJAE	
CCc1ccc(C[C@H](C)CCC=C(C)C)[nH]1	238273701	SFOPMVKLEHMZFZ-CYBMUJFWSA-N	219.372	4.502	0	10	BJAE	
CCCCC[C@@H]1C[C@H](C)CC[C@H]1CNCCC	250833930	SQDLDVSWLOFCIX-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)CC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1O	251290344	HMMJAJDKVSTQAD-BYNSBNAKSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](CC)CC[C@H]1O	251336725	LXMHGAIXMGVXMP-ZJIFWQFVSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H]1N[C@H](c1ccccc1)C(C)(C)C	252196600	SLNSMEWFJDLVEY-FVQBIDKESA-N	245.410	4.552	0	10	BJAE	
CCC[C@@H](C)[C@H](CNC(C)C)c1cccc(C)c1	300461373	FRZJQWSFDBJWFM-WBVHZDCISA-N	247.426	4.513	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCCC)c1ccccc1C	302435199	SRMFTBAKECXBMW-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
Cc1ccc(Cl)cc1OC[C@H](C)CC(C)C	304158700	GORIXKJFMSPKGG-LLVKDONJSA-N	240.774	4.709	0	10	BJAE	
Cc1ccc(N[C@H]2/C=C/CCCCC2)c(C)c1	305930060	DELLZBBJWYVZPV-VFADXPBXSA-N	229.367	4.604	0	10	BJAE	
Fc1cc2c(Cl)c(C(F)F)ccc2s1	306693729	UBHZEKWVUXPSPR-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1cc2c(Cl)ccc(Cl)c2s1	307361054	GZQQQDMYEIARMM-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
Fc1cc2cc(Cl)sc2cc1C(F)F	307451186	RPMAANRXWNLMRK-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)c1cc(C)ccc1C	308000022	OTOLQFKQZSOJQP-NVXWUHKLSA-N	248.410	4.799	0	10	BJAE	
CCC[C@@H](CNc1ccccc1)CC(C)C	308047280	CFDCXAATZWZVJY-CQSZACIVSA-N	219.372	4.561	0	10	BJAE	
CCc1ccccc1[C@H](NC)[C@@H](CC)CC(C)C	308069636	QHUOUYBEXXWQSX-DOTOQJQBSA-N	247.426	4.582	0	10	BJAE	
CC(C)c1ccccc1-c1ccc(N)cc1Cl	310114403	SMHLOWZKKSEVLQ-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@H](C)CC(C)C)CC1	310197957	AWFUBIITLXZBBY-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](Nc1ccc(C(C)C)cc1)C1CC1	310207459	FHLKCHANWIKWHX-MRXNPFEDSA-N	231.383	4.801	0	10	BJAE	
CCC[C@H](CC)N[C@@H](CC)c1cccc(C)c1	310216656	LRPOOCXAWXKMHX-HOTGVXAUSA-N	233.399	4.614	0	10	BJAE	
CC(C)CC[C@@]1(CNC(C)(C)C)CCC[C@@H]1C	318252476	MSFCGZRBTMXMRQ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)[C@@H](C)[C@@H](C)CC	318889552	NVSRQICTVGDWEC-ZOBUZTSGSA-N	247.426	4.718	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)CC1CCCCCC1	319843497	MKROGKUJVWNQFF-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC1CCC(C(=O)C(C)(C)C2CCC2)CC1	322996103	SMICZQAODUBOLB-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@H](C)CC(C)C	379608936	GHRPAQYCSVJVFU-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCc1ccc(O[C@H]2C=CCCCCC2)cc1	379872691	ZCUUETPRCDXTAK-HNNXBMFYSA-N	230.351	4.517	0	10	BJAE	
CC/C(=C/C(C(C)C)C(C)C)CNC(C)(C)C	379995936	VZPMDRVMIQQPJX-UVTDQMKNSA-N	239.447	4.639	0	10	BJAE	
CC[C@@H](Nc1ccc(C)c(C)c1)c1ccsc1	382186122	YKFSQBQPGUOZJM-OAHLLOKOSA-N	245.391	4.928	0	10	BJAE	
CC1(c2ccc3ccccc3c2)CCCC1	383565698	VDBJVQPMNOWXAS-UHFFFAOYSA-N	210.320	4.672	0	10	BJAE	
CCCc1ccccc1[C@H](NCC)[C@H](C)C(C)C	384677076	SKCKTWVOCKWEMN-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)CC(C)(C)C)c1	384877154	HKVIQWJOAHSXQC-ZDUSSCGKSA-N	219.372	4.540	0	10	BJAE	
CCC[C@@H](C)[C@@H](CCC1=CCCCC1)NCC	385632000	BJNXXWGMSARKBJ-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CC1(C[C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCCC1	386054524	WBFOQYGBHZBXGI-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@@H](NC)c2cccc(C)c2C)CCC1	386460018	FBVVIIXSTMBERS-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc(NCC2(C)CCCCC2)cc1C	394673632	SIXAZGCPVAQMRV-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
C[C@H](CC(C)(C)C)NCCCC1CCCCC1	395183414	GTEUVIOHYQKUFK-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CSc1c(C(F)F)ccc2cc(F)sc12	396256293	VMMSNQQNVAWRDM-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
COc1csc2cc(Cl)c(C(F)F)cc12	396286801	BUEWRXPQIWWPTB-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@H](C)C1CCC1	398698982	SDWZAFLRSZBZRD-ZFWWWQNUSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CN[C@@H]1CCCC12CCCCC2)C1CCC1	398944970	XWCIRYGCLFOQRO-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H](C)C(C)(C)C)cc1	399018847	GBODTTSSFWBDFJ-CYBMUJFWSA-N	246.394	4.894	0	10	BJAE	
CCCC1(CNCC2CCC3(CC2)CC3)CCC1	687279472	PEILIQQQUAIYAG-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)C1(CNc2cccc3ccccc23)CC1	687538491	KBAOUUZCSPYFMW-UHFFFAOYSA-N	239.362	4.688	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C(C)(C)C(C)(C)C)c1	688910836	AFWXHHDBUKSGAE-OAHLLOKOSA-N	247.426	4.882	0	10	BJAE	
CCCC[C@@](N)(CC)CCC(C)(C)C1CC1	690462551	ZCXSZFMYWZXYFO-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)C[C@]1(O)CCCCC[C@@H]1C(C)C	691125366	DFCGDPBDSDXNRN-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCC1CCCCC1	691181965	CIBUBHSIIUKEOL-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)NCC1(CC2CCCC2)CC2(CCC2)C1	691422613	PNCIVZWCPWLJMN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1CC=CC1)NCCC	692059083	LEGXSTBSICVFAS-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1CCC12CCCC2	694405666	WRVCTVZVATYYHG-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CC(C)C)[C@@H](CC)c1ccc(C)cc1	695078337	MMZZLIDEONRTEM-IRXDYDNUSA-N	247.426	4.513	0	10	BJAE	
CCC(C)(C)CCC(=O)CCc1ccccc1C	696561619	XKUBBJAZDGBGJL-UHFFFAOYSA-N	246.394	4.713	0	10	BJAE	
CC(C)=CCCC(=O)c1ccc(C(C)(C)C)cc1	697834720	GMRSWENORQSKSJ-UHFFFAOYSA-N	244.378	4.913	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1	698783745	KWBGMAAHIVLIGI-IARIHHJXSA-N	241.378	4.577	0	10	BJAE	
CC(C)CCC[C@H](O)[C@]1(C)CC[C@H](C)C1(C)C	699088823	JJHLMUZAHPYOSS-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)[C@]1(O)CCC[C@H](C(C)(C)C)CC1	700943448	MMOHULXVCPEZOD-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC(C)(C)C)CC1(C)C	702164913	MPYPMVGEEJPWNX-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1cscc1Cl	710452087	MFPDROSKKVYXCY-JOYOIKCWSA-N	246.803	4.507	0	10	BJAE	
C[C@H]1CC[C@](CNC(C)(C)C)(CC(C)(C)C)C1	713320556	XKVTXRRWPBSGLE-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@]1(CC(C)(C)CC)CCC[C@H](C)C1	713337495	ZOVQPYSTSSYUGT-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
N[C@H](CC1CCCC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714475984	QNBSJZNNZGYATE-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1CC2(CCC2)C1)C1(C)CCCC1	717615773	CEGXNPFRFRMHIX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]1C1CC1	718561380	VZRCTRJWCROECC-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CNC2CC2)CC[C@H](C)C1	718780317	PTUAJNJWIVYHMN-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@H]2CCC=CCCC2)C1	1179764470	WDFRAZNHFPZMPG-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)CN(C(C)C)C1CCCC1	1459661404	GKBXAVVLQJVKKT-HNNXBMFYSA-N	239.447	4.856	0	10	BJAE	
CCC[C@H](C)CCNC[C@H]1CCCC[C@@H]1CC	1659927378	BLAZFDPYXAOBAA-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)N(Cc1ccccc1)C(C)C	1880412930	FTSDTBBRDVRSCL-INIZCTEOSA-N	247.426	4.722	0	10	BJAE	
C=C=CCCCc1ccc(Cl)c(Cl)c1	1885706689	YZBTWIUKRJDWRA-UHFFFAOYSA-N	227.134	4.657	0	10	BJAE	
CCC(C)=CCC[C@@H]1CCCC1(F)F	1887863032	VBIDVGPTSVPWBM-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1sc(C)cc1C	1900692265	BJXVWSFUYCPLIY-CYBMUJFWSA-N	239.428	4.581	0	10	BJAE	
CCC(CC)CC[C@@](O)(CC)C1CCCC1	1900693950	TTWQOJATYROQFQ-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1cccc(Cl)c1F	1901708958	LHVRXSPYMDSJOT-UWVGGRQHSA-N	243.753	4.572	0	10	BJAE	
CCC(CC)c1ccc([C@H](C)NC)c(Cl)c1	1901891860	ILIZGHBUUFQCNT-JTQLQIEISA-N	239.790	4.524	0	10	BJAE	
CC(=Cc1ccc(C(C)C)cc1)CNC(C)(C)C	1905460837	QEOWONQLSLFKNV-UHFFFAOYSA-N	245.410	4.601	0	10	BJAE	
CCC[C@](N)(CCC[C@@H]1C[C@H]1C)C1CCCC1	1908555321	OKPJOUGKCDRSJZ-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(C)CCC[C@]2(C)O)CC1	1909700872	CSKYSWNNLSSALE-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(CC(=O)C[C@@H]2C[C@H]2CC)CC1	1909710229	CDRAMZKHFLNRHC-CVSAEHQPSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@H](NCC)C1CCCCCCC1	1911922351	LCUIDYJXTVYYQX-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@]2(N)CCC3(CCCC3)C2)C1	1916440976	YBBVKYIDYIDKSK-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCCC1CC([C@@H](NC)C2=CCCCCCC2)C1	1921263154	AMSVTKVFSITSCB-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCC1CC([C@H](C[C@@H]2C=CCCC2)NCC)C1	1921288247	UDMDDSRJZYAMCO-VXLLPVPCSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](CN)[C@H](C[C@@H]2C=CCCCC2)C1	1925894136	YBFSTSRYKWGWTG-VQHPVUNQSA-N	249.442	4.524	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCCC1)C1CCCC1	1925928895	ZVTYIHRXAUVFBG-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCN[C@H]1C[C@H](C)c2ccccc21	1926175781	LTTWZBWJARSMKK-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc(C[C@@H]2C=CCCC2)c(Cl)c1	1932602952	YUZLDMHNXMPQJT-GFCCVEGCSA-N	220.743	4.547	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1sccc1Cl	1933716080	CTKJSEAKKTXGMB-NSHDSACASA-N	245.819	4.618	0	10	BJAE	
CC[C@@H](CCC(F)(F)F)Nc1ccccc1C	1940761310	HGYNLSUOEJYMBK-NSHDSACASA-N	245.288	4.528	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)C[C@@H](C)CC	1940857735	ZMZFGGNKJZILFO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H](CC)C(C)C)C(C)(CC)CC	1941269265	OCSUPYVUFOFTRL-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
O=C(CCC1CCCC1)c1sccc1C1CC1	1942499959	RGNZYHPYLIUICJ-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(O)CC1CCCCC1	1942653018	MXFXVHNPJCTGLM-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC=C[C@H](C)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1	1947061932	VFGYCFRIBBOYJO-RRFJBIMHSA-N	237.431	4.536	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cc(C)cc(F)c1	1947456796	DRRQAWBPBBTYSN-SWLSCSKDSA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CCCCCC1CC1	1947470546	VAVZIBYGHJLZJF-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CC[C@@H](C)[C@H]1C(C)C	1947515605	NESSZQBUBLRKTQ-IIAWOOMASA-N	240.431	4.636	0	10	BJAE	
OC1(CCCCCC2CC2)CCCCCCC1	1947542023	CAVJSRMQSIVWOD-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CC1(C)CC[C@@H](CCC2CCCCC2)CC1=O	1949657311	ZUJJBQRZMOLIFA-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
O=C(CC[C@@H]1C=CCCCC1)CC1CCCC1	1949865011	URUYFMIEKFDRTK-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](CC1CC1)NCCCCCCC(C)C	1950100261	LXKVTGCHCNHGMJ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1CCC2(CC2)C1	1950262514	IOJPVYGBHFMBJM-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CC1(N)CC2(CCC(C)CC2)C1	1950557888	ASNXRIWBWAHQCE-KXVRIMHRSA-N	237.431	4.501	0	10	BJAE	
CCCCN(Cc1ccccc1)[C@@H](C)C(C)(C)C	1953351595	SYDHHRMXBWKSFH-HNNXBMFYSA-N	247.426	4.723	0	10	BJAE	
Cc1cc([C@@H](N)CCCC(C)C)sc1Cl	1960260108	BONLRUCBJKUIBA-JTQLQIEISA-N	245.819	4.536	0	10	BJAE	
C[C@@]12CCC[C@@H]1N(CCC1=CCCCC1)CCC2	1966618763	YDFCMWODZZDCQE-IRXDYDNUSA-N	247.426	4.532	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1967878130	XOZMFPUHLSWQTA-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCC2(CCC2)C1	1968527890	IVHCMQBCCVLBRQ-HNNXBMFYSA-N	243.394	4.774	0	10	BJAE	
CC[C@H](NC1CC(CC)(CC)C1)c1ccccc1	1969296475	IIYFIVFIDLZNRE-INIZCTEOSA-N	245.410	4.696	0	10	BJAE	
Cc1sccc1CNc1ccccc1C1CC1	1969416804	NONLGVIZANNHBU-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@@H]2CCC3(CCC3)C2)C1	1970084928	BRVRKLPNJMPXAG-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
c1cc(N[C@H]2CCC3CC2C3)cc(C2CCC2)c1	1971536060	XVYXHAKLCRYECQ-QOJXUVEWSA-N	241.378	4.555	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC1CCC2(CCC2)CC1	1973044679	YNFABJJNFVSZDV-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)C[C@](O)(CC)C1CCCCC1	1975955481	AURHBTZIOPFZMX-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)C[C@H](CCCC(C)C)NCC	1978531523	PBAQOHQUXUNFOA-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CC(C)(C)C)C(CC)(CC)CC	1978562639	HVVOLUPNUKEKNC-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)C[C@H](O)c1csc(C(F)F)c1	1978582588	MUBVUVLMPWHTQI-JTQLQIEISA-N	248.338	4.545	0	10	BJAE	
CCCc1csc([C@@H]2CCCCC2(C)C)n1	1981850545	OQGKIVHDJOQZQN-LBPRGKRZSA-N	237.412	4.779	0	10	BJAE	
C/C=C/CCCCc1cccc(C(F)F)c1	1988323046	FFTJQZLXLDCZLE-NSCUHMNNSA-N	224.294	4.913	0	10	BJAE	
CC(C)(C)C(=O)CCC1(C(C)(C)C)CCC1	1989452111	UCFFFRFMIVLCFM-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cccc2ccsc12	1996610469	JNXCTRFWXFOWKU-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCC2(CCC2)C1	1997040077	PXAIOQRJPUBBPP-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC1CC(C(C)(C)C)C1	1998234593	KNSSTCKJRATAPS-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
C[C@H]([C@H](O)C[C@@H]1CCC=CCCC1)C(C)(C)C	2000000306	AXCQTMBSJBUXDR-RBSFLKMASA-N	238.415	4.556	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)[C@H]1CCCC(C)(C)C1	2000048766	SKZSVKGLBOYQBT-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)CNC1CC2(CCCCCC2)C1	2000712680	KXEPOOXYLLQKLZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC(C)(C)NC[C@@]1(C)CC=CCC1	2001693026	CQNZCVCTQYTZIW-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](O)(CC)CC1[C@H]2CCCCC[C@H]12	2002202539	PRGKXJURHRIJKG-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@H](O)[C@H]1CC[C@H](C)CC1)CC(C)(C)C	2003098575	GXQMPSDJZRIYMD-AJNGGQMLSA-N	240.431	4.636	0	10	BJAE	
CC1CCC(C[C@@H](N)CC2(C)CCCC2)CC1	2003185102	PKHSXCJSNRNZMM-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(N)([C@H]2CCCC[C@H]2C)CC1	2004342126	PPTNRCRIZSDWKB-QVOMUQBLSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCCCC12CC2	2005563916	BJJNLYCWIQBINC-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCNC[C@]1(CC=C(C)C)CCCCC1(C)C	2005587740	ZDWQZUGGHFDNAJ-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@@H](C)CC(C)C	2007947728	TZZRXDDPZSJJCF-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCC(C)(C)CC[C@@H]1O	2009407663	OPOXBWCFQQNKKG-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CC=CCCC[C@@H](C[C@@H]1CC1(C)C)NCCC	2009626317	DSXWWBURXRCXCV-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(NCCCCC2CC2)C1	2009711869	FDOJQXUPEMITOU-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H]1NCC[C@@H]1CC1CCCCCC1	2009771870	SDDDZHKZSXFMKW-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCCC1CC(N)(CCCCCC(C)C)C1	2009792375	YKKDJQISWMDXMY-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](CCCC[C@H]1C[C@@H]1C)CC(C)C	2011582592	BEPQKLCPDVPVEH-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C[C@H](N)C1(C)CCCCC1)C(C)C	2015272841	REWTWJPSQZVOGT-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CC(C)C1(C[C@@H]2CCCCCCC2=O)CCC1	2017128674	GAAXJXGCFJPIOJ-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC(C)CN(CC1(C(C)(C)C)CCC1)C(C)C	2017128924	IWMZMNDPTYQIOP-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC[C@](N)(CC1(C(C)(C)C)CCC1)C1CCC1	2017147507	DTGBULJHWBNJAH-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(N(C)CC(C)=C(C)C)CC1	2017461781	PISLBYPTAURBRO-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCCC1CCC(C[C@H](O)CC(C)(C)C)CC1	2017650061	CNQXQMSIPNLDGL-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)[C@H](C)[C@@H](C)CC)CC1	2017657389	FBRZTHHWDCADQY-XFIYOXNOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)CCC(C)(C)C)CC1	2017663675	XAJOXCDCKLTLKC-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCC1CCCC1	2018185876	UCPNFVKODNRDBP-INIZCTEOSA-N	239.447	4.857	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@@H]1C=CCCCC1	2018187701	HJPUSPNSYGQDLQ-HZPDHXFCSA-N	237.431	4.633	0	10	BJAE	
CCN[C@H](CCC1CCCC1)CC1(CC)CC1	2018991772	XNVLRFQVAVJLRK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@@H](NC)C2CCCCCCC2)CC1	2018993830	HQHQXHMHICMNKL-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC1(CC)CCCN1[C@H]1C=CCCCCC1	2019121087	DYLSIWBMEOHUTL-HNNXBMFYSA-N	235.415	4.530	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)CCC1=CCCCC1	2019783232	YNNGIILJNOXKJS-HOTGVXAUSA-N	236.399	4.598	0	10	BJAE	
CC=C(CC)[C@@]1(O)CCCCC12CCCCC2	2020975300	ZILLYGXVCUYXDU-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CC1)c1ccsc1	2021026076	KDPUDFLLZBYJER-LLVKDONJSA-N	243.375	4.799	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1ccccc1C1CC1	2021026508	VPPAONIOEMPQRU-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CCC[C@@H](C(=O)CCCCC(C)(F)F)C(C)C	2023333568	YEYBHTIHGZHOLB-GFCCVEGCSA-N	248.357	4.843	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CC1(C(C)C)CCC1	2023335176	FHIBRDJHUHFGTQ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C1=CCCCCCC1	2027724533	ZGKOHLTXZMPFDJ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NC)c1cccc(CC)c1	2028252801	QZRRKGQXEQNACR-DLBZAZTESA-N	247.426	4.582	0	10	BJAE	
CCc1ccccc1[C@@H](NC)[C@@H](C)CCC(C)C	2029822706	FGLFTWWABHWQGU-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1C[C@@H]2CC[C@@H]2C1	2034571805	KAEPYYABFMDXOJ-WDNDVIMCSA-N	243.394	4.585	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC[C@H]2CC[C@H]1C2	2035045599	BTZTWIUIRJOTMU-KMFMINBZSA-N	243.394	4.630	0	10	BJAE	
CCC[C@](N)(CCCC1(C)CC1)c1ccccc1	2037174242	DPQKLGAEPSMZAM-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
CCC[C@@](N)(CC1CCC=CCC1)C1CCCC1	2037208429	XWNDJKHJZFLZBG-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1C=CCCCC1)C1CCCC1	2037272824	GOFHNKKWNQOGND-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCCNC[C@]1(C2CCCC2)CC12CCCCC2	2038998716	FAWOWWRGXGILJT-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2041384027	RNQONMWJJNRVSC-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)[C@]1(C)CC=CCC1	2042015947	FLDDDGABFIUDSB-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1CC1(C)C)[C@@]1(C)CC=CCC1	2042018669	HWBDGALNCNLXSB-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCCC1(CN(C)C[C@H]2CCC=CCCC2)CC1	2045310812	FTFUZSIXOZLPFY-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
O[C@]1(C[C@H]2CCC=CCCC2)CCC2(CCC2)C1	2045341311	YQUXKTYWIHCTGE-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCCC(=O)c1ccc(C2(C)CC2)cc1	2045569657	QXACQGVKTWHIAE-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CC(C)(C(=O)CC1CCC2(CC1)CC2)C1CCC1	2049934360	WRALLRHFOOSLOL-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H]([C@H]1CCC(C)(C)C1)[C@]1(C)C=CCCC1	2050009312	MHMDZZUHYGLFGK-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCC1)C1(C)CCCCCCC1	2052501157	SCPBFEAQRXUHLW-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@H](NC2CCCCCCCC2)CCC1	2055551738	ISVLSLZQFIXRLF-QGZVFWFLSA-N	249.442	4.968	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@H]2C[C@H]3C[C@H]3C2)CC1	2056535305	AOSDCMMZMKHMEC-ZSOGYDGISA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NC1CC(C2CCC2)C1	2056692655	XUJZHUGZAXUQLA-LYAPFXNSSA-N	249.442	4.514	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1C[C@H]2C[C@H]2C1)NCCC	2059251253	YIZOIUYRTGEFAN-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CSc1c(Cl)cc(C(F)F)cc1Cl	2060073297	NZPUDMFHIFKJTO-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)C2C[C@@H](C)C[C@H](C)C2)CC1	2061084613	LEMXGYAZNYZNPL-ZJOBFFGXSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(N)CC(C)(C)C[C@@H]2C)CC1	2061121346	FLYJFTGKAKXZLY-JJRVBVJISA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@@H](NCC)C1CCC(C(C)C)CC1	2061565009	AWGYQFVDRVCINA-OFLPRAFFSA-N	249.442	4.548	0	10	BJAE	
CCN[C@H](CCCC1CC(=C2CCC2)C1)C(C)C	2061729431	WNRNFKKGTMQYSI-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCCCCC23CC3)[C@H]1C	2062016041	CZIBTMICGPMJPW-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(=O)C[C@H](CC2C[C@@H]3CCC[C@H]3C2)C1	2063717146	NXVZFSAESWFFMO-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CC[C@]1(CC23CCC(CC2)CC3)CCCCCN1	2065307066	CJZVZXWKYDPOBO-OFLPRAFFSA-N	249.442	4.659	0	10	BJAE	
CN(CC1CC1)C1CCC2(CCCCCC2)CC1	2065940791	SCOIAEGDLZTZCD-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H](C)CN[C@H](C)c1c(C)cc(C)cc1C	2066315503	ZFDDDPAJBHNLCY-MLGOLLRUSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1(C)CCCC1)c1occc1C	2067563017	SPARIGNPUACORR-UONOGXRCSA-N	249.398	4.598	0	10	BJAE	
CCN[C@H](C[C@@H]1CC12CCC2)C1(CC)CCCC1	2069197342	NTGKWWZMNGXSMQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCCC[C@H]1C1CC1	2070409084	RYZCHMASAUIAAB-BHYGNILZSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)C1([C@H](N)CC[C@]23CCC[C@@H]2C3)CCC1	2071939109	WHCYHSZXCJDNGX-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)C[C@@H]1C=CCCC1	2072078530	ZQVBRMGKNMGAQE-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@H](O)C(C)=C(C)C	2072439684	JLICLFYTFJOCTG-RRQGHBQHSA-N	246.394	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)c2cc(C)oc2C)CC1	2072803081	DUEPLUGPWGLFOQ-DZKIICNBSA-N	249.398	4.503	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2=C[C@@H](N)C[C@@H](C)C2)CC1	2072816466	VSTYBQDAJXSUQU-JKQORVJESA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)c2cc(C)c(C)o2)CC1	2072876126	WMSKNKLWGZCOIJ-HDJSIYSDSA-N	248.366	4.686	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@@]12CCCC[C@H]1C2	2074029783	PMEIVPPNXAKYQE-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@]23CCCC[C@H]2C3)CC1	2074115333	XDYVLQOEGCQICX-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N(C)[C@@H]2C=CCCCCC2)C1	2074796319	GKOVHKLPYWEXAM-TWMKSMIVSA-N	249.442	4.632	0	10	BJAE	
C1=C[C@@H](NC2(C3CCCCC3)CCC2)CCCC1	2075361845	CNPPIEFPYIYEAZ-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
CC1CCC([C@H](C)N(C)[C@H]2C=CCCCC2)CC1	2075405848	VMKOWERIQWZMMB-XGHPGWEVSA-N	249.442	4.632	0	10	BJAE	
CC(C)(C)C1CC(Nc2ccccc2C2CC2)C1	2077262838	YNBFVSVNFOLSQZ-UHFFFAOYSA-N	243.394	4.801	0	10	BJAE	
CCCCc1ccc([C@H](O)CCCC(C)C)cc1	2077927167	BOYFCCCHPVVNHF-QGZVFWFLSA-N	248.410	4.889	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2C[C@H]2C2CC2)CC1	2079336198	HMMHNCGITSLYQI-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN[C@H]1CCC2(CCCCC2)C1	2079451457	QOJUXELAACXDIW-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1cc(CC)ccc1CC	2079643487	XLVJHCOMBAWTMH-HZPDHXFCSA-N	245.410	4.660	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H]1C[C@H](C)Nc2ccccc21	2079669057	DYRVOEUTYRYJKW-GBJTYRQASA-N	243.394	4.801	0	10	BJAE	
CCC[C@H]1C[C@@H]1COc1ccc(C(C)(C)C)cc1	2079808007	CVQLZEQYMZJZHJ-UONOGXRCSA-N	246.394	4.799	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC1(N)CC2(CCCCCC2)C1	2079864469	MTMINOYDAALJDD-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCCC[C@@H]1CC	2081948045	ZCXRWDVDSQEPQT-WFASDCNBSA-N	249.373	4.769	0	10	BJAE	
CCC(CC)C(=O)c1ccc2c(c1)CCC2(C)C	2082272478	JPLHGDGVJLIOGW-UHFFFAOYSA-N	244.378	4.529	0	10	BJAE	
Cc1ccc2cc(C(=O)C3(C)CCCC3)oc2c1	2084096827	JEKPBBLLAXMYEE-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CC[C@H]1C[C@@H]2CC[C@H](C1)N2[C@H]1CCC[C@@H](CC)C1	2084510393	IJGRXFPFRCYXQD-UUAJXVIYSA-N	249.442	4.608	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@H](C(C)C)C2)cc1	2085240335	UENVDLHFAWIZNP-DOTOQJQBSA-N	245.410	4.876	0	10	BJAE	
c1ccc(-c2ccccc2N[C@@H]2C[C@@H]3C[C@@H]3C2)cc1	2097001018	HJDLBZALVMCGBU-ZSHCYNCHSA-N	249.357	4.564	0	10	BJAE	
CC=CCCCNc1cc(C)c(Cl)cc1F	2210739124	TXQYCSSRWCDOMS-UHFFFAOYSA-N	241.737	4.556	0	10	BJAE	
CCC(C)(C)c1cc2cc(Cl)cc(F)c2[nH]1	2211234638	IUXZPCXTJFOXED-UHFFFAOYSA-N	239.721	4.648	0	10	BJAE	
CC1=C[C@@](N)(CCCCCCC2CC2)CCC1	2213575235	DAEVKHHOOVDEQP-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C[C@H]1CCC[C@@H](CCCCCCC2CC2)C1=O	2213578069	ILNSWLVZTIAEDE-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CCCCC2CC2)C1	2214569191	LVAOVPWDURWIRA-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC[C@@H]1C[C@@H]1CC	2215333621	BYWDBDPLLJIKOC-HRCADAONSA-N	239.447	4.571	0	10	BJAE	
CC1(CC[C@]2(N)CCC[C@@H](C(C)(C)C)C2)CC1	2216250495	AYJITANHQVPAJI-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)C1CCCC1	2216880302	TVKOFNLIBJKZPV-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CC1CCCC1)C(C)(C)C	2217125089	MMMLTPADMRUKDV-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CNC1CCC1)C[C@@H](C)C(C)C	2217128197	YYGUSZAXHQYVGZ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CC[C@H]2C[C@@H]1C2	2217240692	GWYNYJSJAYZPGJ-NVBFEUDRSA-N	249.785	4.503	0	10	BJAE	
CC1(CCC[C@H](N)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218352116	UTQJRNRYKDUBBW-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@@H]1CCN(CC(C)C)c1ccccc1	2220986002	PGXIIODIPVBXQK-HOTGVXAUSA-N	245.410	4.585	0	10	BJAE	
CC1=CC[C@](C)([C@@H](O)CCC2=CCCCC2)CC1	2221613154	BYIJYMXVZBTQEW-IRXDYDNUSA-N	248.410	4.764	0	10	BJAE	
c1ccc2c(c1)CC[C@@H](c1ccc3occc3c1)N2	2232372804	CARPNAZDSANWKQ-INIZCTEOSA-N	249.313	4.532	0	10	BJAE	
CCCN[C@H]([C@@H](CC)CCC)C(C)(C)CC	2244785095	VZJBRSZEOMLSBE-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H](CC)CCC	2244801781	MRWRYJKJMHFCTF-KKUMJFAQSA-N	227.436	4.747	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)c2csc(C)c2C)CC1	2246368620	MFZTWMMGYCDFNP-GJZGRUSLSA-N	249.423	4.501	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC2(C)CC(C)C2)CC1	2246573598	PZUJZSDAENSVKP-AVVWSFFYSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H]1CCCC(C)(C)C1=O	2247096725	IGVRBKKAUORTII-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](NC(C(C)(C)C)C(C)(C)C)C1	2247750662	MNLOFDAKIUBSDE-STQMWFEESA-N	239.447	4.616	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)c1ccc(C2CCC2)s1	2250282281	VWRQOUPNYAJCBJ-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)CNc1ccc2c(c1)SCC2	2250390975	UNOQYVUBKJFWMF-LBPRGKRZSA-N	249.423	4.573	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(O)CC1CC1	2250496967	XQDLSDUYVNBINB-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)ONCC[C@H](C)CCCC(C)C	2250518009	QTUQUWJEGQKIRA-CQSZACIVSA-N	243.435	4.549	0	10	BJAE	
CC(C)CCCC(=O)C[C@]12CCCC[C@@H]1CC2	2251163463	QPJKKGSDTZNAKY-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@]12CCCC[C@H]1CC2	2251213163	WICUGDJYSXBLQC-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC[C@H]2CCCCC23CC3)N1	2253853553	KEXDZYROCHNSGN-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC1(C)C[C@@H](CC[C@@H]2CCCCC23CC3)CCN1	2253887518	XCTPKRLFLLLESP-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H]1CC[C@]1(N)CC1CC2(CCCC2)C1	2254113930	QXKDCRSZRYXVHL-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)CC[C@@H]1CCCC12CC2	2255254992	ZWNPYSGQHKOVQG-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC[C@H]1CCCC12CC2)C[C@@H]1CCCCN1	2255257814	GOEGCAPYGDPCRB-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@H](CNCCCCC[C@@H]2C[C@H]2C)CC1	2257311205	LHOWLEPZLFPRGQ-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](C=C1[C@H]2CCC[C@@H]1C[C@H](N)C2)CC(C)(C)C	2258030441	YCOYLAWCMHCAOC-BYNSBNAKSA-N	249.442	4.523	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC(C)(C)c1ccccc1	2259446528	ZQXSQRFUKCBGPL-HOCLYGCPSA-N	247.426	4.508	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)C[C@H]2CC=CCC2)C1	2261182475	RRCXBZMDIBDRCC-NFOMZHRRSA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)CC2CC3(CC3)C2)C1	2261183958	FGVBJKWJLYPCDN-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Fc1ccc2c(c1)[C@@H](CC1CCCCC1)CCN2	2261336234	BDLBKDLVLMNLRM-CYBMUJFWSA-N	247.357	4.695	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc(C)c(CC)c1	2299670381	WELPYEODMGQOMH-CYBMUJFWSA-N	232.367	4.566	0	10	BJAE	
CCC(CC)CC[C@@H]1CC[C@@H]2CCCC[C@@H]2N1	2300697738	RZIYULLKOPSJCC-XHSDSOJGSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CCn1ccc2cc(C)ccc21	2300701232	PTIBIGYEHRSWNA-UHFFFAOYSA-N	229.367	4.776	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)CC)CCC[C@H]1C	2300860510	IEQHMWPVIWFHCY-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)C(C(=O)CC1CCCCCC1)C(C)C	2301146730	BOXOMAZSVBRJPL-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)CCC1=CCCCC1	2301901014	XRALRQUFZZJJFZ-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC1([C@](C)(O)CCCC2=CCCCC2)CCC1	2302328272	IAYLAKLGLZZYCO-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)C[C@@H]1CCC(C)(C)C1	2302899434	ORCRNRKCMFFOEN-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1CCC(C)=C(C)C1	2303516297	NUOYXKDWESDFNT-GJZGRUSLSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@@H](C)N(C)C[C@@H]1CCC(C)=C(C)C1	2303523972	LOGRSQAJZMSPSK-HZPDHXFCSA-N	237.431	4.633	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)CCC(C)(C)C2)C1	2304435165	MQBKHYDONWSGGI-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)Nc1cccc(C(C)C)c1F	2307561022	LKAJJMFWRULJBV-LBPRGKRZSA-N	237.362	4.796	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H]1c2ccccc2NC[C@@H]1C	2308414139	VIFBLBAXZWULCF-ORIJERBGSA-N	243.394	4.658	0	10	BJAE	
C[C@H]1CC[C@@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2312440497	OYVUZZQCFAJRNB-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](NC)[C@]1(C)CC=C(C)CC1	2312521270	QMFZHJFYUNLPFT-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@]12CCC[C@@H]1CC2	2313344631	VNKZZIKLLXEXNM-WCXIOVBPSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@]23CCCC[C@@H]2CC3)[C@@H](C)C1	2313346285	JJVKKTOQEVXKKF-XGYYKPKNSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCC[C@@]1(C)NC(CC1CC1)CC1CC1	2313606925	XTXGMSRQLFAYGG-SUMWQHHRSA-N	249.442	4.514	0	10	BJAE	
CC=CC[C@@H](NCCC)c1ccccc1C1CC1	2316502274	JRKRCSQJDYDGEC-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC=CC[C@@H](NCC)c1ccc(CC(C)C)cc1	2316508628	LESCTRUDHDLRIU-QGZVFWFLSA-N	245.410	4.502	0	10	BJAE	
CC(=CC=C[C@H]1CC(C)(C)CN1)CCCC(C)C	2316538416	WOXVQHVMMADIHS-INIZCTEOSA-N	249.442	4.703	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317159494	ZBIRVUUIFHUDJP-RBSFLKMASA-N	248.410	4.764	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C[C@H]1CCc2ccccc2N1	2317998632	SYHBHPSXPHLBAK-IJEWVQPXSA-N	245.410	4.732	0	10	BJAE	
CC[C@H]1CC=C([C@@H](CCCCC2CC2)NC)CC1	2318876782	OYHKIZCHVJBVBS-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@@]12CCC[C@H]1CC2	2318889201	UUGNRMJDOWZSGG-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN(C)[C@H]1C=CCCCCC1	2320019195	KOJAITPYAOVNHP-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CC12CCC(CC1)C2	2320152108	ZIHUPFWNSIKVRH-YXXKGXSTSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CCCC[C@H]2F)c1	2320574361	HUFPNTYYRKSUGZ-LSDHHAIUSA-N	248.341	4.521	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H](CC1CC1)C1CC1	2320616369	IQVNMQVGOBEGEZ-QGZVFWFLSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CC[C@H](CC=C[C@@]2(C)CNC(C)(C)C2)C1	2321637840	VSSRADKAKQWFQI-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@@H]2CC[C@@H](C)C2)c1	2327674232	YYARLIVZUXCLGR-SUYBPPKGSA-N	246.394	4.588	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)c1ccc(C)c(C)c1	2328189416	IOYKFBBTPGSRIO-DOTOQJQBSA-N	247.426	4.694	0	10	BJAE	
CCCC(CCC)Nc1cccc2c1CCCC2	20557790	ADICIBYRRYNKJG-UHFFFAOYSA-N	245.410	4.946	0	10	BJAE	
CCc1[nH]c2ccccc2c1[C@H]1C=CCCC1	39102578	FFIKDSMZIRRQCX-LBPRGKRZSA-N	225.335	4.554	0	10	BJAE	
CCCCCCNc1ccccc1OCC(C)C	66167876	ZDDZFWNUBDFVHP-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1	70558324	UCMDCBUAQUTMTM-RISCZKNCSA-N	237.774	4.721	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](NC)C(C)(C)C	71083929	IXLVPCSEGAWLFU-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCC[C@@H](CC)CC1	86909271	RBNOALZHTVHXGN-LZWOXQAQSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)c2ccc(C)c(C)c2)C1	87988508	OTJNZGCJFGTJHW-UXLLHSPISA-N	245.410	4.520	0	10	BJAE	
CCCCCCNc1c(CC)cccc1CC	110168423	SNWFTGUYGSNCRA-UHFFFAOYSA-N	233.399	4.804	0	10	BJAE	
Cc1cccc([C@H](C)Nc2cscc2C)c1	134326559	XZHLFDMCCWPBRX-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
CCCCCC[C@H](C)Nc1cccc(N(C)C)c1	135434330	YHPFWDNXGLSHIU-AWEZNQCLSA-N	248.414	4.523	0	10	BJAE	
CCC(CC)CCC[C@H](NC)c1ccccc1	149450089	OFKISZDWSFCSPT-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CCC[C@@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	167280288	FBISRXNNALZSKO-IZTSSTLKSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H]1CCCCC1(C)C	226819818	XAJMUIRBHHOMFD-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc([C@H](N)C[C@@H](C)CC(C)(C)C)c1	228846710	IJVGFMFEYYTGCT-CZUORRHYSA-N	247.426	4.711	0	10	BJAE	
CCC(=O)c1ccc(-c2cc(C)ccc2Cl)o1	232215855	JNEWEMGFPLLFDT-UHFFFAOYSA-N	248.709	4.501	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2cc(C)cc(F)c2)C1	235677522	VVFBHPJVRYNFRI-RISCZKNCSA-N	247.357	4.538	0	10	BJAE	
Cc1cc2c([nH]1)CCCCCCCCCC2	238542311	MUUJGHGNNVMKQT-UHFFFAOYSA-N	219.372	4.543	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1	251722560	RYLVUFWWOUXZFY-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](C)c2ccc(C)cc2C)C1	251783522	WXSWYZNJPRTAIM-OAGGEKHMSA-N	245.410	4.533	0	10	BJAE	
CC(C)NC[C@H](C)[C@@H](C)CCC1CCCCC1	305938677	LDSOAGZIVSWXHS-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)c1ccc(C(C)C)cc1	305950012	CQTJCBKPTDVRND-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CC(C)C[C@@H](C)CC[C@H]1CCc2ccccc2N1	305950020	MTYIDQMQNQHDFX-HOCLYGCPSA-N	245.410	4.876	0	10	BJAE	
CCCC1(CCC)[C@@H](CNC(C)(C)C)C1(C)C	306063969	ZVXAYAVIRDIKJJ-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CSc1cc2c(C)ccc(Cl)c2s1	306735505	PITWUGAMVUNXEV-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC1(C(=O)c2ccsc2Cl)CCCC1	307442441	AFPXVASGYWFMLQ-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)[C@H](CC)CC(C)C	308051495	DNTVDTAOQKPREK-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@H](C)C1CCCCC1	310501781	RHBMZDWVPXWOAU-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)c1ccc(C)cc1	311077412	WAPGWPFRZPLKFR-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CNCC1(CCCC(C)(C)C)CCC(C)CC1	316972436	RAPDPUSTXMAFBC-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](Nc1ccc(C)c(C)c1)C1CCC1	322492961	YZENGDNRCRWNDX-INIZCTEOSA-N	231.383	4.684	0	10	BJAE	
CC[C@@]1(CCCCCC(C)C)CCCCCN1	383288904	QOCTVZPXOFXWGT-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)CCCCCCC(=O)C1CCCC1	383406389	VGMUEXUHYRVLQB-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)(C)c1ccc(C2(C)CCCC2)cc1	383432493	VIWVRCMTDSHBAB-UHFFFAOYSA-N	216.368	4.816	0	10	BJAE	
C[C@H]1CCC[C@H](C[C@@]2(N)CCC[C@@H](C)CC2)C1	383617010	UOEMYPYEHWSKJR-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](N[C@H](C)CC(C)(C)C)c2ccccc21	384453306	JXNIHNXZMVHDQE-WOSRLPQWSA-N	245.410	4.649	0	10	BJAE	
CC(C)NCCC(C)(C)C[C@H](C)c1ccccc1	384902400	NOHAWEOJRITXPC-HNNXBMFYSA-N	247.426	4.595	0	10	BJAE	
CC[C@H](Nc1ccc(C)c(F)c1)C1CCCC1	387581820	NELATCWUWJAPBW-HNNXBMFYSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@@H](CCC)CCC1(C)CCCC1	390661714	QHIPENRIIUQHLK-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)C[C@@H](C)C1CCC1	398802709	IVPCMXINYSENCK-YLHGKKIISA-N	237.431	4.537	0	10	BJAE	
CCCC1(CNc2ccccc2C(C)(C)C)CC1	687549843	ASYJNDDMHZRSQN-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CCCN[C@H](CC1CC1)c1cccc(C(C)C)c1	688941068	VUDCKFPIFPADLT-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)CCCC(C)(C)C	691133197	HWECGEDOIFJETF-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)c1cccc([C@H](O)CC2=CCCC2)c1	691724120	PGOYCJZXIHAIGP-MRXNPFEDSA-N	244.378	4.518	0	10	BJAE	
C[C@@H]([C@@H](N)c1ccc2sccc2c1)C(C)(C)C	691870189	ZVBKNYIDJWEBRQ-IINYFYTJSA-N	247.407	4.583	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCC12CCCC2	693899144	MWCUMMKNRSYXFE-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@@H]2CCCC3(CC3)C2)C1	695914672	CVHLTAAKSBRKMU-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1cc(C)cc(C)c1	696663162	ZYWASDJLFVNTKJ-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1cc2ccccc2s1	697582744	XEVCCBPZZDIIOP-CYBMUJFWSA-N	246.375	4.681	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccc(C)cc1Cl	701069520	UXCAIBZJAJEFCJ-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
C[C@H]1C[C@@H]([C@@]2(N)CCCC23CCCC3)CC[C@H]1C	704446853	JSBKKUSWMLNSNP-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](O)[C@H](C)CC(C)(C)C)CC1	704612467	MUJMZZIIAOBCAF-URGYJCLVSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)c1cccc(C2CCC2)c1	708270331	NXCUHYGIQRFZNZ-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
C[C@H]1CCC[C@@](N)(C[C@H](C)CC(C)(C)C)[C@H]1C	709145216	OHMLSRUQPHDQSC-ORIJERBGSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(N[C@@H]2CCCc3sccc32)cs1	710768698	XSLRMZAFYFPLHT-GFCCVEGCSA-N	249.404	4.608	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1C[C@H]2CC[C@H](C2)C1	710870861	LDOJGNMSBRWTGA-JONQDZQNSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C12CCC(CC1)C2	710983403	XTOJDOJSJQTFNV-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@@H](C)C(C)(C)C	711157416	KTVCWJKVWPDHMI-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@H]3CCCC[C@H]32)cc1C	712415061	BLKUAGQBBDDYGP-DJIMGWMZSA-N	243.394	4.548	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CC(C)(C)CC[C@@H]2C)c1	713069121	WYDXQJFNLGGAAR-WFASDCNBSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)CC(C)(C)C(C)C	713247459	QQUOFFXPGRJDIL-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C/CCC(=O)c1ccc2sccc2c1	713683446	KQNXNOUMPYEZAA-ONEGZZNKSA-N	242.343	4.606	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCCCC1(C)C)C1CC1	719189571	NFBVQJCSGNLHGZ-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
C=C/C=C/CCC[C@@H](C)COCc1ccccc1	719590852	FYXGRRHTQAUWQV-DWTRPJMMSA-N	244.378	4.752	0	10	BJAE	
CC[C@@H](C)CSCc1cc(F)ccc1Cl	1165831961	BUUHDFFLGDTFJA-SECBINFHSA-N	246.778	4.758	0	10	BJAE	
Cc1cc(CSC2CCCCC2)cs1	1188309368	HEYAYTKEWWGAFQ-UHFFFAOYSA-N	226.410	4.622	0	10	BJAE	
C=C/C=C\CCSc1ccc(C)c(C)c1	1559328779	MWNQHSRLBVOPHV-WAYWQWQTSA-N	218.365	4.528	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCC1CCCCC1	1652499802	GVHJOAWSFXMQIZ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@H](C)SC1CCC(C)(C)CC1	1656461010	ARWBNUFXYWABNP-NSHDSACASA-N	214.418	4.733	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H](C)CC(C)(C)C	1900704102	VDLBYIBUHCRVDZ-JSGCOSHPSA-N	227.436	4.602	0	10	BJAE	
Cc1cc(C(=O)CC[C@@]23CCC[C@@H]2C3)c(C)s1	1908426203	IRKAPXPUNLWNSE-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CCSc1cccc(NCCC[C@@H]2C[C@H]2C)c1	1908554916	MGDHGKXXSHEFQV-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
CCC(CC)[C@H](C)NCCC=Cc1ccccc1	1911823907	VGGQFXQFOZQZOZ-HNNXBMFYSA-N	245.410	4.504	0	10	BJAE	
CC(C)(C)CCN[C@@H]1CCC2(CCCCC2)C1	1915853525	AGXTXQYNPWIUES-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)NC[C@@]1([C@@H]2CCC2(C)C)C=CCCC1	1916615489	KQPJYLLMAUHPBH-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@](O)(CC)[C@H]1CCCC[C@H]1CC	1919526525	SOYIOFVUZCICIR-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
C[C@@H](C(=O)CCC1CCCC1)C1CCCCC1	1924099366	KAYXYQJYUCDPLN-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC[C@@H]2C[C@H]2C1)C1CCCCC1	1924134135	AGPINBKLDMOWET-SJXGUFTOSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)C1(C(C)C)CC1	1925769653	KMLOGTKPLXABNM-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCCC1)C(CC)CC	1925889208	JFCZWHFPQQSSHU-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](C[C@H]2C=CCCCC2)C1	1925943829	BMBLWDNKRVJKRD-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCC[C@](O)(C[C@H]1C=CCCCC1)C(C)(C)C	1925946816	WJKRUCBJJXVZOI-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CC[C@@](CN)(CC2(C)CCCCC2)C1	1940400971	GSNVJDQPNDHNAY-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CCC[C@](C)(CNCC)CC1(C)CCCCC1	1940404642	AELWOJLZSKNJON-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](CC)c1ccccc1	1942801702	SSNAHKXMUULJNN-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)C(C)(C)C1CCCC1	1944633362	ZINOTRFMIPGGCG-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C(=O)C[C@@H]1CCC[C@H]1C)C(C)C	1944783798	JEPKOKLKYJJEAB-QLFBSQMISA-N	238.415	4.700	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H]3CC[C@H]2C3)c1Cl	1947123604	LSEOCXYEAAVAMJ-FRRDWIJNSA-N	249.785	4.639	0	10	BJAE	
CSc1ccc(N[C@H]2CCC[C@@H]2C(C)C)cc1	1947468717	OFTRAFOHEFXYAB-CABCVRRESA-N	249.423	4.645	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)C[C@@H]1C=CCCC1	1947551114	BYXBWRFMCTWBEQ-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)CC1CCC(C)CC1	1948331562	HASJAADQWLGQLU-KNIAUWFNSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCCC[C@@H]1C)NCCC	1948434094	WTOMWPSYRWYQIP-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N[C@H]2C[C@@H]3CCC[C@@H]32)c(C)cc1Cl	1948821689	WPROHANWDVAZKZ-HUBLWGQQSA-N	249.785	4.557	0	10	BJAE	
CC(C)(C)CCC[C@H]1CNC2(CCCCC2)C1	1949539743	LBSUMSOUAFMAIT-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CC[C@H](C)C(C)(C)C)CC1CCCC1	1949856532	CBOIAZYUDNJPKK-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccc(C(C)C)cc1	1950098938	DWGTVTNVDNKSRJ-HNNXBMFYSA-N	231.383	4.801	0	10	BJAE	
C[C@@H](NC[C@H]1CCCC(C)(C)CC1)C(C)(C)C	1950922149	MBGPCQFWTRTDEX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(CC(C)C)CCC[C@@H](C)CC1	1950923253	SLPDROJDLDLBKV-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC1=CC[C@H](N[C@@H](c2cccs2)C(C)C)CC1	1964536665	CKPCKPVUYSZNMW-DZGCQCFKSA-N	249.423	4.534	0	10	BJAE	
Cc1ccc(NCC2CCC3(CC2)CC3)c(C)c1	1968255139	RQEOFGFQZVMANV-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	1968307159	FFHSNAUOYIXWDT-VIKVFOODSA-N	245.410	4.788	0	10	BJAE	
CC(C)(C)CCCN1CCC[C@@H]1c1ccccc1	1968483389	QMUNBPMVUDRIHQ-MRXNPFEDSA-N	245.410	4.650	0	10	BJAE	
CC[C@@H](CN[C@H](CC)C1CCCCC1)C(C)C	1973383107	BZNZQKHZRLXTDU-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1CCC[C@@H](CC)CC1	1976340598	COQDAVCSMHTUIB-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](NCCC)c1cscc1F	1982841490	ICOJOPGADSYNSY-ZDUSSCGKSA-N	243.391	4.508	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CCCCC1(C)C	1984574204	ATHOKHTXFGQITM-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@@](C)(O)CCCCC(C)(F)F	1993579420	AWKRLDGAFCULOV-GFCCVEGCSA-N	236.346	4.533	0	10	BJAE	
CCCCC[C@@](O)(CC)c1cc(C)c(C)s1	1993981523	JUVALOMMGXITSG-AWEZNQCLSA-N	240.412	4.543	0	10	BJAE	
CCCC(C)(C)C(=O)c1cccc(C)c1Cl	1994171093	KLESVUOXVSPYND-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](Nc2ccccc2Cl)C1	1994914793	RUJJJRLASRMTBA-VXGBXAGGSA-N	237.774	4.577	0	10	BJAE	
C=CC=CCCC(=O)CC[C@@H](C)CCCC	1995215839	ZJVZYDRUNLVTGW-AWEZNQCLSA-N	222.372	4.684	0	10	BJAE	
Cc1cccc(N[C@H](C)C2(C)CCCCC2)c1	1995987026	HMBACACOVIRVKF-CQSZACIVSA-N	231.383	4.766	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CC[C@H](C)C1)C1CCCC1	1996269548	LLIYJGLDXMQBJQ-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@@H]1C=CCCC1	1998379203	BWCQSJYKDNTANT-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)[C@H]1CCCC(C)(C)C1	2000044350	IJECIWOFHGFDCH-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CN)[C@@H]1CC[C@H](C)[C@H](C)C1	2000501018	AXXRPBQATIRYQW-ZJIFWQFVSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@](C)(CCC(F)(F)CC)CNCC	2000506281	AEPJPTSSUITDAF-ZDUSSCGKSA-N	249.389	4.618	0	10	BJAE	
CCCCCN(C[C@H](CC)CC(F)F)C(C)C	2000902739	KOWFPTVAIDTLFH-CYBMUJFWSA-N	249.389	4.568	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1CC12CCCCC2	2001210313	JEKOMECCNASGAA-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC12CCC2)CC(C)(C)C	2001867216	XSUYEPCZICHUKW-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCCC(=O)c1cccc(C)c1	2003657150	WGNBHESRMHILIM-UHFFFAOYSA-N	232.367	4.784	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1cccc2ccsc12	2004230787	YXMSXQDXMHEPIZ-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
CC[C@]1(C)CCCN(CCC(C)=C(C)C)CC1	2004338858	IRQZLJLUQSDHAM-MRXNPFEDSA-N	237.431	4.635	0	10	BJAE	
CCC1(CC)CCC(O)([C@H]2CC[C@@H](C)C2)CC1	2004353055	NXEDUUNDEBOCMS-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@]1(CN)CCCC12CC2	2005591173	CTQKJLMMOFZGHP-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@@H]2CCC[C@@H]2C)CC1	2006770182	CVWZSHZAYWMLSJ-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@H](CC)C(C)C	2007941190	ZERKJRYEIYWQOT-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
NC1(C=C2CCCCC2)CCCCCCCC1	2007969264	SRASWJMFKNWLPX-UHFFFAOYSA-N	235.415	4.709	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC[C@@H](C)CC[C@@H]1NC	2009421960	YOYIOCQPWDVURB-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCc1ccc(C(F)(F)F)cc1C	2009594755	VRTGRKXQKVSXHD-ONEGZZNKSA-N	242.284	4.913	0	10	BJAE	
CC1(CC[C@@H]2C[C@@H](C(C)(C)C)CCC2=O)CC1	2009605390	MVTQHVVWWFBJTR-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](NCC)C1=CC[C@@H](C)CC1	2010621743	CJFBZAWRKMCFPQ-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@H](O)C1=CC[C@@H](C(C)C)CC1	2010716363	FESCWOATQBPQTH-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](CC)(C(=O)O)C(C)C	2012420960	HFFBYQCHFBIBBV-UKRRQHHQSA-N	242.403	4.730	0	10	BJAE	
CC(C)(C)CCNc1ccc(C(C)(F)F)cc1	2012750453	WBMVNTORYOUYAT-UHFFFAOYSA-N	241.325	4.646	0	10	BJAE	
CC(C)[C@H](N)C1CCC2(CCCCCC2)CC1	2013212732	WTPIHDPBGTWTRJ-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@@H](C)[C@H](C)C1	2013264704	PCIRKIADGZVTJC-KLHDSHLOSA-N	239.447	4.616	0	10	BJAE	
CC(C)c1cc(Cl)c2nccc(C(C)C)c2n1	2014077945	HKGKPHXFRWDUKT-UHFFFAOYSA-N	248.757	4.530	0	10	BJAE	
Cc1cccc(C)c1NCC(C(C)C)C(C)C	2015291897	WPBHHSLLVJQKCO-UHFFFAOYSA-N	233.399	4.644	0	10	BJAE	
CCCC1CCC(CN)(C[C@@H](C)C(C)C)CC1	2015401013	RVHSCFMQJLEUIB-QQFBHYJXSA-N	239.447	4.604	0	10	BJAE	
CCCC1(C[C@@](C)(O)[C@H](C)CC(C)C)CCC1	2015632068	BGNBTCBXRQFTBY-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CC(F)F)C[C@](C)(N)CCC=C(C)C	2016119872	OIXPGUQGZHLTGC-TZMCWYRMSA-N	247.373	4.522	0	10	BJAE	
CCC1CCC(CC(O)(C(C)C)C(C)C)CC1	2017649814	ZZOGVKBIHVRDAU-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)CC(CC)CC)CC1	2017663368	SAWANFCNZYYPDW-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(C[C@@H](O)CCC2CCC2)CC1	2017776747	TYKRLPXEAGRSMB-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@](N)(CC)C1CCC(CC)CC1	2018131011	QWPJEOHOZFYOFT-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@@H]2CC[C@H]21	2018136288	JNGXCTVWDUAOQN-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)c1ccc(C)o1	2018139118	OHXNCLVMONYVIK-ZIAGYGMSSA-N	237.387	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC1CCCCC1	2018184906	LBLFJTPASJFSQM-MRXNPFEDSA-N	239.447	4.857	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@]12CCCC[C@@H]1C2	2018568958	HXTDWCMJQYLFIS-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@]12CCCC[C@H]1C2	2018577584	JNIKGKGXUQDMNW-HRCADAONSA-N	237.431	4.502	0	10	BJAE	
CCC1(C[C@@](C)(N)[C@H]2CCCC(C)(C)C2)CC1	2018915083	CWJTYKUHOPZGCI-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](CC2CCCCC2)NC)CC1	2019006829	UKZPPCBSZJDBFF-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(N(C)[C@H](C)CC(C)(C)C)CC1	2019171769	QZXKEJBJHOUUGN-WLYUNCDWSA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@@H](N)C1CCC(CCCC)CC1	2020964229	GAEJSGFGUWRASH-AVVWSFFYSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](CCCC(C)(C)C)NCC	2022383205	LHZBOLAWBRPQJG-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](O)CCC1CCCCC1	2022450109	CTBNZIOQSVMOTH-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@@H](CCCCC(C)(F)F)NCC	2023297008	NAOMHVODGOEGFS-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC=C(C)C)NCC	2023329711	BWMDXPGZCXMZCI-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CC[C@H](C(C)C)C1	2025613340	JGJQEONUHSEDRJ-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CN(C1CCCCCC1)[C@H]1CCCC[C@@H]1C1CC1	2026966712	NHBJWWXQWAHLKN-SJORKVTESA-N	249.442	4.610	0	10	BJAE	
C1CCCC(N2CCC(C3CCCC3)CC2)CC1	2027027368	SYMVULFSBHZNDT-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC1(C[C@@H](N)C[C@@H]2C[C@H]3CC[C@H]2C3)CCCCC1	2027311244	ISKKFDYHGDTOQK-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc2c(ccn2CCC[C@@H]2CC2(C)C)c1	2027834290	UCJOBDIMUYFQRO-OAHLLOKOSA-N	241.378	4.776	0	10	BJAE	
C[C@H](C(=O)CCC[C@@H]1CC1(C)C)c1ccccc1	2027843872	UOOAJWMPBZCALL-DZGCQCFKSA-N	244.378	4.576	0	10	BJAE	
CN[C@H](CCC(C)C)c1ccccc1CC(C)C	2028916039	VHFWBLCDTIJRPJ-QGZVFWFLSA-N	247.426	4.582	0	10	BJAE	
CC1(CC(=O)c2ccc(C3CCCC3)cc2)CC1	2031746194	LGMCHWKVIVRUOP-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CNC[C@]1(CCC2=CCCCC2)CCCC1(C)C	2032112260	OZATUBQALCPGOO-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)C[C@H]2CC2(C)C)cc1	2032362006	FDGZRDGBDJXKQR-RCBQFDQVSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNc1ccc(C(C)(C)C)cc1	2032515151	QKQQXLFENSWAMX-KGLIPLIRSA-N	245.410	4.832	0	10	BJAE	
O=C(CC1CCCCCC1)CC1[C@H]2CCCC[C@H]12	2032774998	FIDYDHFAZDPLFY-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@H](N)c2cccc(C3CC3)c2)CCCC1	2036352771	SJJBZSSJSHNCNQ-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)C1CC(C)(CC)C1	2036487481	SJVUKJIXHRZDJF-ORBLRFAASA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@@H]2CCC[C@H]2C)cc1	2037189134	OKZKTMIIJRLTEM-COXVUDFISA-N	245.410	4.636	0	10	BJAE	
CCCN[C@@H](CC[C@H]1C=CCC1)CC1CCCC1	2038103221	LUGPQPGQHIBOOU-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC[C@H](O)CC1CCCC1)c1ccccc1	2038107205	DYGDNCKEQVDYOS-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@H]1CC12CCCCC2	2039000069	PFOLQYFUTYMCNE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CCC([C@@H](N)[C@@H]2C=CCCC2)CC1	2039522637	UBOBYEPNQULCOA-LMPOIIKSSA-N	249.442	4.523	0	10	BJAE	
C[C@H](N[C@@H](C1CCC1)C1CC1)C1(C)CCCCC1	2039873597	XXBKIPAIVNDABB-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C=CCCCCC2)CC1	2041500735	WGMHCZVFRIVRFO-ZACQAIPSSA-N	249.442	4.824	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H]2CCCC23CC3)CC1	2041542636	YBVUCBIUCIQLRM-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NC[C@H]1CC12CCCC2	2041836159	CTXMHOAPVJCQPO-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@@H]1CCC=CCCC1	2045313014	UCCHLFWJDBFEFA-OAHLLOKOSA-N	246.394	4.973	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@]2(N)CCCCC23CCCCC3)C1	2047555956	BYCHDLMRVPIQIS-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H]1[C@H]2CCCC[C@H]21	2048466972	HVNYCZHDNJABSL-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C[C@@H]1[C@H]2CCCC[C@H]21	2048471356	HVNYCZHDNJABSL-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC2CC2)(CC2(C)CC2)C1	2048882341	KGCVMTBRAAVQPM-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2[C@H]3CCCC[C@H]32)C1	2049508296	INBMBBURLWDTGS-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@](N)(C[C@@H]1CCC2(CC2)C1)C1CC1	2049861749	VHBPBOQKEYYQHU-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCCC2(CC2)C1)C1(C)CC1	2049863209	XSEKCPQCJDDNBH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H](C)c1ccccc1	2051405974	FPFLJLZQXGECIA-DOTOQJQBSA-N	245.410	4.515	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H]2CC=CCC2)CC1	2051617208	NZUMUAHPXAXKBT-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H]1C[C@H](CC)C[C@H](C[C@H]2C=CCCC2)C1	2055035865	WBFFMSOAPXNUEB-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](Nc1ccc(CF)cc1)C1CCCC1	2055668419	UOYXFQNYJWRXCO-MRXNPFEDSA-N	249.373	4.927	0	10	BJAE	
FCc1ccc(N[C@H]2CCCC23CCCC3)cc1	2055677292	HJDHTCUZSAGZDS-HNNXBMFYSA-N	247.357	4.681	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1CC2(CCC2)C1	2059259630	QZNBXUKXWPONQY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)CC2CCCCC2)CC1	2061087505	GIPAMLXYDKDZMA-DOTOQJQBSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCCCC23CCC3)CC1	2061123138	VHBVUMVGOAQTGW-RHSMWYFYSA-N	247.426	4.565	0	10	BJAE	
C=C=CCC[C@H](NC)C1CCC(CCCC)CC1	2061560833	KPGGKOQRIOEWSK-JCYILVPMSA-N	249.442	4.692	0	10	BJAE	
CCC[C@H](NCC[C@]12CCC[C@@H]1C2)C1CCCC1	2061588019	QMPMOWDBKVNNPT-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(C(=O)CCC[C@@H]2C[C@H]2C)c(C)c1	2062637296	ILRSUNVEFKHQGC-IUODEOHRSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CC2(CC(C(=O)C3(C)CC(C)(C)C3)C2)C1	2063817069	IDLYDCRZXOEQHA-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C2CC3(C2)CC(C)(C)C3)C1	2063817120	IOFBMYJSLZEDPZ-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NCC12CCC(CC1)CC2	2065299286	ZNBYBXPLOPWSOZ-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CC(N)(C1CCCC1)C1CCCC1	2065937365	KXAATNZJSGZKOI-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCC1(CN(C)[C@H]2CCCC3(CCC3)C2)CCC1	2069321480	NDAIONNEWLCNTO-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]3C[C@@H]2C3)CCCCCCC1	2069354090	QWDMXWALHHCJRN-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C1(CC2CC2)CCC1	2069521758	PIBQBFZBVXTDTJ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@]23CCC[C@H]2C3)cc1	2070917070	IBZJCHHCDUXYKO-QRTARXTBSA-N	244.378	4.769	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)c1c(C)cc(C)cc1C	2072415873	AAJLGHFDEKQAFA-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H]1CCCCC12CCC2	2072425772	QAEAMBXJUFACGT-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](NC)[C@H]2C=CCCC2)CC1	2072793798	NVHHJVOFTHGRER-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1(C[C@H]2CC[C@H](C)CC2)CC=CC1	2072803318	GWZTZHDEZRPYHZ-WKILWMFISA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@](C)(NCC23CCC(CC2)CC3)C1	2073068449	RXYWJLZPNOJKKZ-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)N1CCCC[C@@H]1c1ccc(C)o1	2075203299	NYMGDGFMZCPHLJ-NWANDNLSSA-N	249.398	4.550	0	10	BJAE	
Cc1cccc(F)c1C(=O)C[C@@H]1CCC[C@H](C)C1	2075976881	NEDJZWMLHLPRKC-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CCCCN(C1CCCCC1)[C@H]1C[C@H]2CC[C@H]1C2	2076595423	ZDZURBDIXBEXEE-ZOBUZTSGSA-N	249.442	4.610	0	10	BJAE	
CC=C(CC)[C@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NCCC	2077197635	SKRQBQCLKIBXPL-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@H]1C[C@H]1C1CCCCCC1	2079493186	WDZGYUSZIQAKIM-VWNJHIHFSA-N	248.410	4.598	0	10	BJAE	
CCCC1CC(N[C@H]2C[C@H]2C2CCCCCC2)C1	2079536935	ONWVPILYQIXYCQ-KMZOKZLKSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)c1ccccc1C(C)C	2079645254	PYJUOJJQWXNYKS-KEYYUXOJSA-N	245.410	4.636	0	10	BJAE	
CCCCCC1CCC([C@H](N)C=C2CCC2)CC1	2080217269	GLQNELSVHVHXGL-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CCc1ccccc1[C@H](C)NC[C@H](CC)C(C)C	2081211235	BHEVMBLXEVMYKQ-HOCLYGCPSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1C[C@@H]1C1CCC1	2081785276	KLUJAQOOKXJDPW-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C(=O)c2ccc(F)c(C)c2C)CCC1	2083333079	LOCXWXOJFREFMY-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CC1(C)C[C@@](N)(C[C@H]2CC23CCCCC3)C1(C)C	2084338445	KAWMWVOPGABFBQ-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)C[C@H]3CCC[C@H]2C3)C1	2086157672	NUTQEXALKUPELY-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@@H](O)C1(C)CCCCCCC1	2214980941	LHEVBLXYUSAHEP-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1CC[C@H]1C	2215119802	ZJTFTDDYPZPSCI-IUODEOHRSA-N	232.367	4.543	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)CCC2CCCC2)C1	2215388469	SATMKHWORRXIFZ-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@H](C)CC(C)(C)C)CC1	2215824634	VLUYFJNXFSCQMV-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@](C)(CCCCCCCC1CC1)CNC	2216877580	NUYLGPDTRDZQLN-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC(C)CCC[C@](C)(CNC1CCC1)C(C)C	2217123994	CVYBUZLSDFXODJ-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC1(C(=O)CC2C[C@H]3CCC[C@H](C2)C3)CCCC1	2218331049	IXMRWMKEUMBINY-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218348899	DCLIHYGXTMFJJA-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(CC1C[C@H]2CCC[C@H](C1)C2)C1CCC1	2218355433	BZFJZLSOVLILDW-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C(=O)CC[C@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218377683	JCAXDMUOWSOZPF-CQJMVSDSSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CC=Cc1ccccc1	2219068120	ZGMQBRHSTZENBX-QGZVFWFLSA-N	246.394	4.667	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](N)CC1(C)CC2(CCC2)C1	2221015988	KRPFVRYAKXJAFJ-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1(C)CC(C)(C)C1)[C@@H](O)c1ccccc1	2221035585	SGICFEZOUXPZRU-UKRRQHHQSA-N	246.394	4.573	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCN1)CC1(C)CC2(CCC2)C1	2221039004	HMLFNRRMGHWCQZ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)c2ccc(C)cc2C)CC1	2221642925	KQIRPSLWEQUANJ-QGZVFWFLSA-N	242.362	4.623	0	10	BJAE	
CC1=CC[C@@H](CN[C@@H]2CCCCCC2(C)C)CC1	2221668626	PXMVJHWAWGCUIU-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](CC(=O)c1c(C)cccc1C)C(C)(C)C	2221918767	BNSLCJYRNQGOCS-AWEZNQCLSA-N	246.394	4.949	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@H]1C[C@H]2C[C@@H]1C2	2223115642	YOQKFEKCNQXOCH-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@]1(CNC2CCC2)CC=CCC1	2223541765	LFKJNDMPHQLHRT-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(CNC2CCC2)C=CCC1	2223576223	HETUCAGVNWNPAL-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CC(=O)Cc1ccc(C2CCC2)cc1	2223635437	XHAMQFIAYFCSAB-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)CC2CCCCC2)cc1	2223964921	APHFYTWVAUXELO-CQSZACIVSA-N	244.378	4.638	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)C(C)(C)O	2244846246	AFRVZOKCHXGCCV-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C[C@H]1CCCCC12CC2	2246614153	IHIVWXNPEYOTRO-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CC[C@@H](C)C2)C1	2246666069	MRGVEVZYUQJDBR-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(O)(CCCC[C@@H]2C[C@H]2C)CC1	2247116699	AYQYJKMDXPTYLV-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@@H](O)CCCC[C@H]1C[C@H]1C)C(C)(C)C	2247165084	PTGLUKDPGXPNFU-QPSCCSFWSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@](C)(N)CC1CCCC1	2247165921	NUFOVOKOGUKMAO-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H]1CCCCCCCC1=O	2247395638	AEOWZLSHWSFECL-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)[C@H]1CC12CCC2	2248296890	VPFQWHACMLOSKY-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](C)(O)CCC1CC1	2248865996	MSHUKNPWUNEPRH-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@](C)(N)C1(C)CCC1	2248866634	QPZAZCMYIZVAID-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](O)CCCC1CC1	2248879268	LVFXLBXOAFVCDS-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@H](N)c2ccc(C3CCC3)s2)CC1	2250295383	UYMPIUAKLPORDZ-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H](C)C1CCCCC1	2250362726	WXLUMXWULAFQMG-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@]12CCCC[C@H]1CC2	2251158948	QPZHWNCCFBOJHN-DZKIICNBSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@]12CCCC[C@H]1CC2	2251162376	KOCJRFWJSSEFEG-XJKSGUPXSA-N	236.399	4.742	0	10	BJAE	
O=C(CCCC1CCC1)C[C@H]1CCCCC12CC2	2253796084	CXXCDYGUIQXPOQ-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC1([C@](C)(N)CC[C@@H]2CCCCC23CC3)CCC1	2253837203	DHKVBVXODOHTHR-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
CC1=CCCC[C@]1(O)CC[C@H]1CCCCC12CC2	2253888417	GBMTZORNMRTZIY-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2(N)CC(C3CCC3)C2)C1	2253940175	YKOXBMHGASVDAE-VBJONLRCSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC23CCC(CC2)CC3)C1	2253963256	OVXCAKQMDAHEBK-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2254596172	NDEJDKMVVWSCSX-NMNMXBMNSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)CC1=CCCCC1	2255139514	CTUBBGLBDVYSPU-PBHICJAKSA-N	247.426	4.731	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCC[C@H]1CC1=CCCCC1	2255140040	JURKFBGPMQUPAT-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@@H]2CCCC23CC3)C1=O	2255257797	XTGHEEMNZSWFHK-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@@]23CCC[C@H]2CC3)CC1	2260572604	BXVJXEUEAAAIBH-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC(=O)c1cccc(C2CCCC2)c1	2260729711	MCMUDVWNUBAIFB-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
CC1CC(CCC(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2261509448	JMVNDHBRDZTSMC-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CCC[C@@H]1C[C@H]1C	2297875910	CHOQVLDJVAUCKN-FPCVCCKLSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCCCCC1(C)C	2298882462	YZMMQSIMFTZLHV-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC1CCC1)C(C)(C)C	2298937516	YZWAJXOXVXREDJ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H](C)C1CC1	2300455792	KQPITZUIKJNXAE-ZDUSSCGKSA-N	231.383	4.576	0	10	BJAE	
CCC(CC)CC[C@H](C)[C@H](N)c1ccccc1	2300678699	MPMNNSAFFAALFE-BBRMVZONSA-N	233.399	4.539	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)CC[C@@H]1CCC(CC)CC	2300679852	XPLKSLRQXSYAAW-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(CN)CCCCC1(C)C	2300697293	NGBGXPSRUXEQPC-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CCCCCC1CC(N)(CCC(CC)CC)C1	2300703739	JOBBDWISJJUBBZ-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H](C)[C@](C)(O)CC=C(C)CCCC(C)C	2300913334	DWNRIOQBHQCGGD-HZPDHXFCSA-N	240.431	4.946	0	10	BJAE	
CC1(C)CCCCN1CCCC1=CCCCC1	2302352044	PCTIPIOBODBKIN-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CC[C@](CN)(CCCC1=CCCCC1)C(C)C	2302356182	KIERXFYUCSMQLL-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)CCCC1=CCCCC1	2302361771	QYROSNIVZIQTKA-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
O=C(CCCCCC1CC1)CCCCC1CC1	2302569679	OFQHCHNZFRBZTH-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@H]2CCCC(C)(C)C2)n1	2307685355	YXSZOQTWKWUJAR-WOPDTQHZSA-N	249.423	4.950	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1(C)CCCCCC1	2307816592	GOLOAYOCQWNZCC-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CO)CCC(C)=C(C)C1	2307876001	JJYFRTAZTSXXIF-CVEARBPZSA-N	238.415	4.702	0	10	BJAE	
CCC[C@@](N)(CC[C@@H]1C[C@H]1C1CC1)C1CCCC1	2308414526	CFHPBCOUXOQUAL-HYVNUMGLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@H]1C[C@H]1C1CCCCC1	2311525490	SWHIKHAQDNDTTF-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CC1)C(=O)c1ccccc1C1CCC1	2313632577	JAIZGPUPGFFTAY-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1CC(=C2CC2)C1	2316509158	GXKFTUPQAQAKIH-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H]1C[C@H]2CCC[C@H]1CC2	2316701417	NOSWEYIWZAOOJA-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2317001700	AXSVQNAYFVGJAA-BFJAYTPKSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C)c(C[C@@H](C)CC)c1	2317099842	PXPPJLUPCPWCRN-ZFWWWQNUSA-N	247.426	4.644	0	10	BJAE	
CCC[C@@H](CC[C@@H]1C[C@H]2C=C[C@H]1CCC2)NCC	2317156559	VQXBZBPTMJTKDJ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc([C@](C)(O)[C@@H](C)C(C)C)cc1	2317903869	IZGKHMLFYKYDFD-WMLDXEAASA-N	248.410	4.529	0	10	BJAE	
CC1CCC(C[C@H](N)CCC2=CCCCC2)CC1	2317914020	YIIYBBNCMOSGOE-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C[C@H]1C=CCCCC1	2317968945	JKRGIJBHBYITKN-IRXDYDNUSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1[C@H](C(=O)C2CC3(CCCCC3)C2)CC1(C)C	2318284644	IYASGSQCWUXCJO-TZMCWYRMSA-N	248.410	4.598	0	10	BJAE	
C1=C(CCCN2C[C@H]3CCCCC[C@@H]32)CCCC1	2318576238	NCLJNVIUKTZXHR-SJORKVTESA-N	247.426	4.532	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@H]1CCC[C@@H]2C[C@H]12	2318595833	SSKANUWYZAFUAI-PMPSAXMXSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)CC1CC=CC1	2318942780	AAOBBEZLJHVKLV-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)[C@]23CCCC[C@H]2CC3)C1	2319327141	TZLHAKQHVIHENW-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CCCC[C@@H]3C[C@H]32)CCC1	2319453031	CFFOBWVXTILNJL-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2320373361	QXZRHDZEMWUSAW-IXKJSCDLSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC12CC([C@H]3CCCC(C)(C)C3=O)(C1)C2	2321575109	ORJZZERYRIAFFW-IGEOTXOUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C=C1CCCNC12CCCCC2)CC	2328101823	LCDNMUBKNYDEKM-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
CC(C)c1cc(-c2ccccc2)cc(C(C)C)n1	5285176	BNBISKSKQGDHNU-UHFFFAOYSA-N	239.362	4.995	0	10	BJAE	
CC(C)[C@@H](C)N[C@@H](C)c1ccc2ccccc2c1	20523219	IHFRFVBPNGCYIO-KGLIPLIRSA-N	241.378	4.535	0	10	BJAE	
CC(C)c1cccc(NC2CCCCC2)c1	20545466	QCLMENJZTVCIFZ-UHFFFAOYSA-N	217.356	4.555	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C)CCC(C)C	21791770	CAWRAAUPODZPQL-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccccc1C(F)(F)F	21801373	KJAIMHHLGPPFKM-VHSXEESVSA-N	245.288	4.552	0	10	BJAE	
CCCCCCN[C@H]1CC[C@H]2CCCC[C@@H]2C1	34994811	ARZBROVXVVBURX-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccc([C@H](C)CC)cc1	36940773	ZYXMBRWPFXTTFA-OLZOCXBDSA-N	232.367	4.819	0	10	BJAE	
C[C@H](N[C@H](c1ccccc1)C(C)(C)C)C1(C)CC1	36994651	XPEHWAKAQLBKDT-DZGCQCFKSA-N	245.410	4.552	0	10	BJAE	
Fc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1	37202669	USOYKPJACUMZOM-WOSRLPQWSA-N	247.357	4.597	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(Cl)cn1	71137490	FQOIBRIEQCFJRF-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CCc1ccc([C@H](CC)NC[C@@H](C)C(C)C)cc1	81044921	SJAZHQNLSARWDN-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CC[C@H](C)C[C@@H]2C)c(C)c1	85098711	SGCAJSPDOVGMAX-RBOXIYTFSA-N	245.410	4.848	0	10	BJAE	
Cc1ccc(OC2C[C@H](C)C[C@@H](C)C2)c(C)c1	85155080	IJROBBRARQMUJT-CHWSQXEVSA-N	232.367	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@H](Oc2ccc(C)cc2C)C1	85155083	PALCAKUWLZQRDC-CABCVRRESA-N	232.367	4.651	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)c1cc(C)c(C)s1	87566899	BECRBRFUVKEJHI-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CCCC1CCC([C@@H](O)c2ccccc2C)CC1	87960673	KKYHPWIZUAQYGU-VMBOVVBDSA-N	246.394	4.635	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NCc1c(C)cc(C)cc1C	88292726	JTRHIEMYJJUVKW-MLGOLLRUSA-N	247.426	4.526	0	10	BJAE	
CC(C)[C@@H](N)C1CCCCCCCCCCC1	92598408	CIZGISKYKPBQLT-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)[C@]1(O)CCCC[C@@H]1c1ccccc1	94676115	ZWYRWROKGCCKHZ-IAGOWNOFSA-N	246.394	4.512	0	10	BJAE	
CC(C)c1cccc([C@@H](N)CCC(C)(C)C)c1	95767454	ZUOLSJAQZZJYJH-HNNXBMFYSA-N	233.399	4.636	0	10	BJAE	
CCCC[C@H](CC)CC(=O)Cc1ccc(C)cc1	109710606	SXHJTMAOVWQTBT-HNNXBMFYSA-N	246.394	4.713	0	10	BJAE	
C[C@@H](Nc1cccc2c1CCCC2)C1CCCC1	109752560	YCRNPLUIEODYAI-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
Fc1cccc(-c2ccc(C(F)(F)F)cc2)c1	112732001	JEZANRQDKRHPNR-UHFFFAOYSA-N	240.199	4.512	0	10	BJAE	
CCCCCC(=O)c1ccc(C2CCC2)cc1	125642026	OEFCWGBCAFKDIA-UHFFFAOYSA-N	230.351	4.717	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1cccc(CC(C)C)c1	131713086	OXIHFBAQJGAODN-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CC[C@H]1CCC[C@H](c2nc(C(C)C)cs2)C1	131970578	KIXUSZYIGKYCQT-RYUDHWBXSA-N	237.412	4.950	0	10	BJAE	
CC[C@H](C)Nc1cc(Cl)c(C)cc1Cl	132013905	RFADIBUPKHHNIS-QMMMGPOBSA-N	232.154	4.512	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1cccc(C2CCC2)c1	133517530	SXAKNHIZQAUXBQ-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
Cc1cccc([C@H](N)CC2CCCCCC2)c1C	163532321	NDKPJEPEHGZLMJ-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CCCN[C@@H](CCC1CCCCC1)c1ccoc1	164967446	USQRVQHJANMWHR-INIZCTEOSA-N	249.398	4.681	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(C)cc1	196298439	YNVKNHOEWNJFHY-CQSZACIVSA-N	219.372	4.766	0	10	BJAE	
CN[C@H](C1=CCCCCC1)c1cc(C)c(C)s1	203611196	GZIBTCZMUUMKDL-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CC(C)[C@H]1CSc2cc(C(C)(C)C)ccc2N1	214912997	XGFJDKBUEXTEDP-CYBMUJFWSA-N	249.423	4.526	0	10	BJAE	
CC(C)CCC[C@@H](C)NC1C[C@@H](C)C[C@@H](C)C1	219311103	QWFUAWKFWUBTJK-IUOOZAAYSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@H]1CCC[C@@H]1C	226564467	XMDXCVSNUXCYFU-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)c2cc(C)ccc2C)C1	227392039	UVSQFWQMFQEAQO-HLLBOEOZSA-N	245.410	4.520	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)CCC1CC1	229558229	OYDLYZUELACTFK-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)c1c[nH]c2c(C)cc(C)cc12	232865694	ZBHOMJBTXUDVTI-UHFFFAOYSA-N	215.340	4.688	0	10	BJAE	
CCCCC1CCC([C@H](N)[C@H](C)CCC)CC1	232928719	DYSGYPADZITNRK-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc([C@@H](C)NCC2(C)CCCCC2)c1	235187929	UUFHVSXIYZIMPD-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C1=CCCCCCC1	236295668	NZMYTYVPOYWEER-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@H](C)C[C@H]1C	251361539	PIVNBDSAWUCLMF-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
N[C@H](CC1CCCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	253041024	KXYIJDKEHSLTOT-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2ccc(NC)cc2)cc1	259052932	AOBTVCGYYLZMBM-CYBMUJFWSA-N	239.362	4.909	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C(C)(C)c1ccccc1	302348271	WBSSBTLASRTWDE-OAHLLOKOSA-N	248.410	4.542	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1cccc2ccsc12	305901124	BMIPJBSCBPMJSQ-CYBMUJFWSA-N	248.391	4.761	0	10	BJAE	
CCCCC[C@]1(CNC2CC2)CCCC[C@@H]1C	317538408	CXFAKXUOYKCPDE-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@]1(CNC(C)(C)C)CC[C@@H](CC)C1	317774229	BWBFTMUVMPEWGH-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@](CNC(C)C)([C@@H]2C=CCCC2)C1	317930077	NDDQAXFJAUTPLD-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1Cl)C1CCC1	322412803	WQRDSGPIDJJAIP-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
CCC[C@](O)(C1CCC1)[C@@H]1CCCC[C@@H]1CC	322826373	HXUYIBMDXDAMSB-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)c1cc(C)oc1C	381188248	VYYWNFJQVYBHHQ-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
Cc1ccccc1N[C@@H]1C[C@@H](C)c2ccccc21	381298548	ZPAGIXLCFQRWEV-CXAGYDPISA-N	237.346	4.655	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1C[C@@H](C)c2ccccc21	381411802	YVCJSFSIUTWJSM-IGCXYCKISA-N	245.410	4.649	0	10	BJAE	
C[C@@H](C[C@H](N)CC1CCCC1)C1CCCCC1	383961068	HPWCFHJOYMESBB-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@H]1CCCC(C)(C)CC1	384492915	MFLPNONHECWOLZ-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CCCC[C@H]2C)C1	384976527	IZUMNHOKZGVTIM-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@H](C)c3ccccc32)cc1	386606869	MCFSTZSBQZSPFU-GUYCJALGSA-N	237.346	4.655	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccsc2Cl)CC1	387177169	CPIHLPYFHYZABZ-NXEZZACHSA-N	243.803	4.782	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H](C)CC1)C1CCCC1	387556341	VZKGTGQPGIKKME-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)CCC1=CCCCC1	388016256	OCBVPDGKCXZSBI-HUUCEWRRSA-N	234.383	4.518	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H]1C[C@H]1CC(C)C	388027922	PIIWOMIYVWNNQM-GDBMZVCRSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H](C)CCNc1cccc(OCC(C)C)c1	394405526	LSZAOFGNUZINAM-CQSZACIVSA-N	249.398	4.570	0	10	BJAE	
CC[C@@H]1CCC[C@H](/C=C(/CN)C2CCCCC2)C1	394503031	CRPVFNYFIMXBLO-URQAUJNWSA-N	249.442	4.668	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1=CCCC1	401120797	LHFHWPSPVQWOBW-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1/C=C(/C)CNC(C)(C)C	401759096	RFSDOAHKQNUBHM-ZDZFUCEFSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)CCC(C)(C)C	405715430	GDHUDLSYYPNYGT-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CC(=O)C1CCCCCC1)CC(F)F	688869875	VIUJOSRGFLUMST-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H](C)CC(C)(C)C)CC(F)F	688886929	ALSYUOGNCMDMFJ-WDEREUQCSA-N	248.357	4.699	0	10	BJAE	
CCCCCCN[C@@H](C)CC1CCCCC1	689836130	LSGOAGKZSXSBIJ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
Cc1cc(C(=O)C2CCC3(CC2)CC3)c(C)s1	695606231	JTEBKMXMUZQZGX-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CCCC2(CC2)C1	695972762	UOKJADODEMYZDT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1CCCCCC1	696569045	WEPXYKKZNBQCQJ-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CCNc1ccc(Cl)cc1C	696752650	SBJCZNCUAUGBTO-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CC(C)=CCCC(C)(C)CCNC(C)(C)C	697773424	BQVQOAGQZUJEDX-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)c1cccc(C2CCC2)c1	702217953	GDTLHZNTCHAFHI-KRWDZBQOSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(CC2CCC2)CC1	703888657	ODZLCXQBOQWPLE-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@@]1(N)C1CCCCCC1	704467137	WEJFHHSXTKGZTB-USXIJHARSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H]1CCCC[C@@H]1C)c1ccccc1	704882171	XVHKCYNZGIGTBM-YQQAZPJKSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@](N)(C[C@@H](C)c1ccccc1)C(C)(C)C	704927283	IQXLNKITQFYGCC-RHSMWYFYSA-N	247.426	4.724	0	10	BJAE	
CN[C@@H](CCCC1CCC1)[C@@H](C)CC(C)(C)C	708307560	WWYOQGGBVMNQHK-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)[C@]12CCCC[C@H]1C2	709129256	MNAVMUWNCPFIBT-DVOMOZLQSA-N	247.357	4.515	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@H]3CC[C@H](C3)C2)cc1Cl	710923545	GRAUWTULLUOJQZ-DABQJJPHSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C12CCC(CC1)C2	711117393	ADBZLWIXJBJUHQ-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC(C)(C)CC[C@H]2C)c1	713056113	CPNUYOPQWBKJGU-GDBMZVCRSA-N	245.410	4.930	0	10	BJAE	
CC(C)(C)CC1(CN)CCC(C(C)(C)C)CC1	713132739	JTUOLAQYWLJPSP-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cc2ccccc2s1	713199929	NNTOKWHDUBTIPR-LBPRGKRZSA-N	248.391	4.761	0	10	BJAE	
C/C=C/[C@H](C)Cc1cc(C)c(C)cc1Cl	714547145	QYQYJAQTPMJANY-PORFMDCZSA-N	222.759	4.712	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@@]1(C)C[C@H]1C	714614245	QSJCQTDAMQHZJN-CXAGYDPISA-N	245.410	4.578	0	10	BJAE	
CC1(C)C[C@@]1(C)CNc1cccc2ccccc12	717001627	WVKBKLLQQREIOJ-KRWDZBQOSA-N	239.362	4.688	0	10	BJAE	
CCCCC1CCC(N)(C2CC3(CCC3)C2)CC1	717568167	DCUYUJNAPCVODW-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CC[C@H]2C[C@H]2C1	718519637	GERUKZZVDHKPKJ-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1cc(C)cc(C)c1	718626599	VHGWKHHYXQSKEL-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCC[C@H](CC)N[C@@H](CC)CC1CCCCC1	720941783	XHHPHMIMCBGPCW-HOTGVXAUSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1C[C@H]1CC)NCC	723071507	SBFMMHWHNXAORZ-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(CC2(N)CCC(C3CCC3)CC2)C1	723587760	JQUNCCHPOJEPQR-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	723622125	QKPGYIXNUSHTHN-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
c1ccc(CSCC2CCC3(CC2)CC3)cc1	1188539784	QTXHAZBWVBEOOS-UHFFFAOYSA-N	246.419	4.890	0	10	BJAE	
CCC[C@H](N[C@H](C)CC(C)(C)C)C(C)(C)C	1560838683	FXQPSMFSPXNLOW-OLZOCXBDSA-N	227.436	4.616	0	10	BJAE	
Cc1sccc1-c1cscc1C(F)F	1889517446	DVWIQVMVBFMFJA-UHFFFAOYSA-N	230.304	4.723	0	10	BJAE	
Cc1cc(-c2c(C)sc(C)c2C)cs1	1889519228	POJNMEGLHQWXDD-UHFFFAOYSA-N	222.378	4.710	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H]1CCC(C)(C)C1	1902236835	TUHNRFVRPVGOFL-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CCCC(C)(C)C1=O	1905346434	LSYUBZLVSZVYFE-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)C1(C)CCCCCC1	1908572171	NKKFSZMHBZLUBA-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)NCC[C@H](C)CCC=Cc1ccccc1	1911860634	YICDBIKXCUDSPC-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
C=CC=CCCOc1ccc([C@@H](C)CC)cc1	1912027821	SJJDQWNXFWUGKL-AWEZNQCLSA-N	230.351	4.711	0	10	BJAE	
CCCNCCC=CCC1CCC(C)(C)CC1	1912136970	UGKLQCRQOAUDMO-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc1	1917328474	GJGHUTLQJRFWDK-HEHGZKQESA-N	243.394	4.585	0	10	BJAE	
CCCCCC[C@@](C)(O)Cc1cc(C)cc(C)c1	1919976117	VPJOAVRSKMSQPC-QGZVFWFLSA-N	248.410	4.567	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CCCC12CCC2	1921608979	ARZNMTWPFRRAPS-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CC([C@H](C[C@H]2C=CCCCC2)NC)C1	1925779637	XRCYHHYMIQPJPB-SOEBMCCKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@H]1C=CCCCC1)CC(C)C	1925892957	VCOWGFCJFIRYER-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCCC1)c1ccsc1	1925934891	OMWILJLGTZYPCD-HIFRSBDPSA-N	249.423	4.535	0	10	BJAE	
CCC(CC)CCN[C@H]1CCCCC12CCC2	1926159656	NNGORNKKNKSQBX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCCC1=C1CCC(C)(C)C[C@@H]1CN	1927147478	LYMIVYCAAQUYEJ-UONOGXRCSA-N	249.442	4.668	0	10	BJAE	
CC(C)=CCCc1ccc(C2(C)CC2)cc1	1936405063	IFOHRWCRUWCAPJ-UHFFFAOYSA-N	214.352	4.637	0	10	BJAE	
CC[C@H](CC(=O)c1cc(C)cs1)C(C)(C)C	1939452420	OHMRZMBIQDPZFD-LLVKDONJSA-N	238.396	4.702	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)C1=CCCCCC1	1940245092	VSFCQVBOOKAYFD-MRXNPFEDSA-N	238.415	4.556	0	10	BJAE	
CCC[C@](O)(CC1(C)CCCCC1)C(C)(C)C	1940403145	KJLIYBBUWOARGL-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC1(CC=CCCNC(C)(C)C)CCCCC1	1940410103	QMIPARVVZXDTCW-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CCC[C@H]1CC1(C)C)[C@@H](C)CC	1940873537	RFWFSBWWVFDWFT-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H](C)CCC(C)C)C1	1942651930	BRZVXEIDLZTCAG-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(N)CCCC12CCCC2	1942659095	QPUHEWFUNRSEFW-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)[C@@H](CC(C)C)C(C)C	1942660627	KVDFFXKJOZDOAD-HRCADAONSA-N	242.447	4.738	0	10	BJAE	
CC(C)CCC[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	1947856529	GHJMGDYBTQXAER-ZSHCYNCHSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1C[C@H](CCCC(C)C)CCC1(C)C	1949663715	YSQVWRSPDBVFOQ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@H]1CCCC(C)(C)CC1	1950917224	DVIPFIAQMDHCKG-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(Cl)s1	1954890135	MDNHDWRHHQOJMM-SECBINFHSA-N	214.761	4.861	0	10	BJAE	
CCCC1CCC(CN[C@@H](CC)C(C)C)CC1	1963217333	VMQVVGBTRGPXQT-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CN(C)C1CCC(C)CC1	1968747917	OFAGPQBPYZQHLP-PCKAHOCUSA-N	239.447	4.713	0	10	BJAE	
CC(C)(NC[C@@H]1CCC2(CC2)C1)C1CCCCC1	1969165362	PRSCERYARIGXBZ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)NCc1ccccc1C(C)(C)C	1970320999	DUSKXFHNZWWZSS-KBPBESRZSA-N	247.426	4.508	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@H]2CCC[C@@H]2C1	1970662761	DSISMTKZQKVXPC-HHARLNAUSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(N[C@@H]2CCCC3(CC3)C2)CC1(C)C	1970887401	DARCEEWFYAYAEH-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NC1C[C@H]2CCCCC[C@@H]2C1)C1(C)CCC1	1973615529	WDUBMCRYTVYSJR-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@H]1NCCC12CCC(CC1)C2	1973946408	ZLVWVDFZTPHTQA-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@](CC)(CC=CCl)CNCCC	1978639320	UIGIKNBYUZDPHE-CQSZACIVSA-N	245.838	4.715	0	10	BJAE	
CCC(C)(C)[C@@H](O)C1(C)CCCCCCC1	1981417032	WNVBLVGYAXFGFF-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCC[C@@H](CC)C1	1984574793	FACUNNZTPUAVNY-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCC)C(C)(C)C	1995261981	JNLDMQBRQSGBIA-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](NC1CCCCC1)C1CCC(C)(C)CC1	1996552143	JWTZMKMCRCNWJH-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1C[C@@H]1CNc1ccccc1SC(C)C	1996565142	YEMCMVGJYKMDPO-QWHCGFSZSA-N	249.423	4.645	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@]1(C)CC=CCC1	1997550521	GKYNAHYGSXMDDT-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@@H](C[C@H]1CCC=CCCC1)NC	1999994388	UQLVJJPNYKBLGQ-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@@H](C)C(C)(C)C	2000505439	REFNPCHIDFYBLU-ZBFHGGJFSA-N	241.463	4.865	0	10	BJAE	
CCCNC[C@@](C)(CCC)C[C@@H](C)C1CCC1	2000518020	JVARYDANIBOVEY-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@@H]1C=CCCC1	2000523416	ORIZWEBBRYDVPU-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)NC1CC2(CCCCCC2)C1	2000672732	MCUKIJVXEWBISF-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CCC12CCC2)C(C)(C)C	2001845794	XPXBEOCVSBYOSL-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C1CC(C(C)(C)C)C1	2002304462	LUJGFNFUZPCLIA-SEEARECTSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H]1CCCCCCC[C@H]1O	2003117609	OHZGZJIRQIQAND-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@H]1CCCCCCC[C@@H]1NC	2003118285	QZXIGLBQEJBYKC-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@]1(CNC(C)C)CCCCC1(C)C	2005599281	YCVCLYMUBQKHBK-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](CC2(C)CCCCC2)C1	2006665525	JQMKBXVRLYXATK-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](NC)[C@H]1CC	2009233619	DSJHUDQQJATHCX-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1CCC(C)(C)CC[C@@H]1O	2009408071	QWNOYXSQWCAWEG-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCC[C@H]1C[C@@H](C(C)(C)C)CCC1=O	2009575367	ZFYDTEGKUPFNMO-BEVHLOIGSA-N	236.399	4.764	0	10	BJAE	
CC=CCCC[C@@H](NCC)C(CC)(CC)CC	2009616039	FOFPBCNRIXERDO-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C1CC(CC)C1	2009617766	WEJAIBFVSJZVRS-KNAJXHNTSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](CCC)CC[C@@H]1NC	2009619003	HPQSOZGBDCGOTL-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](CC(C)(C)CC)NCCC	2009627434	JTJAMTVOWVSHPC-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](CCCC(C)C)NC)CC1	2010770461	YTMSRROSYQFSTP-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(O)CCC[C@@H](C(C)C)CC1	2015283764	HLDVLKZEVJULFP-OAGGEKHMSA-N	240.431	4.636	0	10	BJAE	
CCC1(CC)CCC(O)(C[C@H](C)C(C)C)CC1	2015291039	PBPAMIRUMUCUOX-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@@H](O)C2CCC(C)CC2)CCC1	2015640970	YQKFKRFOTNDWMB-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](C[C@H](C)CC)NCC)CCC1	2015646409	ZQADTUOGEXPFDL-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C1(CC2CC2)CC1	2015755718	VMXYZWUFSMLHNW-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1(CC2CCC2)CC1	2015788707	PZTQAQQDAGFQHO-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@@H]2[C@@H](C)[C@H]2C)cc1	2016288223	ZMQQAFVYMNWETQ-FOCJUVANSA-N	231.383	4.514	0	10	BJAE	
CC1(C)CCC[C@](C)(NCCC2CCCC2)C1	2017611981	DWGLLQPZJVZCPE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](O)C[C@H]1CC[C@H](CCC)CC1	2017650384	GIJCEDFNKQZHGH-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@](O)(CC)CC1CCC(CC)CC1	2017651197	QNDDHUIUHKRHEM-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(CC[C@H](CC(C)C)NC)CC1	2017721810	LSSNWTIVBMCAED-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@H](NC)[C@H](C)CC)CC1	2017724172	MHGRRYDZMNWIFT-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)C[C@H]1CC[C@H](C)CC1	2017735182	DYRWMBVOGGKBTP-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1CC[C@@H](C)[C@H](C)C1	2018132212	XRSBGPYOCIDRCU-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1CC(=C2CC2)C1	2018138206	DDSXMFSTXPWUMZ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@H]1C=CCCC1	2018184626	IOXAAPFBBSGHPI-JKSUJKDBSA-N	237.431	4.633	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H]1CCCCCCC[C@@H]1O	2022528830	LMOHFMQGVFIHEW-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC(=O)CC1CC2(C1)CC(C)(C)C2	2023323121	RZJGXAHCHCTTGG-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H]1CC(C)(C)C[C@H]1CC(CC)CC	2023612080	MDJQTQWRBXOGKI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H]([C@H](N)C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2024092458	RGRULBINGCWHMK-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)C2(C)C)cc1C	2025019265	PWXGOQKMFMECCH-CQSZACIVSA-N	231.383	4.540	0	10	BJAE	
CCCCOc1ccc2occ(CCC)c2c1	2026528817	IRFWUQZBCUFOSP-UHFFFAOYSA-N	232.323	4.564	0	10	BJAE	
C[C@H]1CCCC[C@@H]1c1nc(CC2(C)CC2)cs1	2026537395	DLMOWDYLBAHKIS-AAEUAGOBSA-N	249.423	4.779	0	10	BJAE	
C[C@@H](C(=O)CCC[C@@H]1CC1(C)C)c1ccccc1	2027843874	UOOAJWMPBZCALL-UKRRQHHQSA-N	244.378	4.576	0	10	BJAE	
CCc1ccc([C@@H](O)[C@H](CC(C)C)C(C)C)cc1	2028241643	SUWDRIMQLLIFAL-IAGOWNOFSA-N	248.410	4.601	0	10	BJAE	
CCc1ccc([C@H](O)[C@@H](CC(C)C)C(C)C)cc1	2028241644	SUWDRIMQLLIFAL-IRXDYDNUSA-N	248.410	4.601	0	10	BJAE	
CCCCCC[C@H](N)c1ccccc1C1(C)CC1	2028603560	XXINTLFZCABLTR-INIZCTEOSA-N	245.410	4.708	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@@H]2CCC[C@@H]21)C1CCCCC1	2028770121	CAOGNYOOLDUHFH-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)C1(C)CC(C)(C)C1	2029110704	WWLFVWYHMDPMBZ-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1coc2ccccc12	2029823098	GQKRNUPIZIPDHT-LBPRGKRZSA-N	244.334	4.688	0	10	BJAE	
CN[C@H](C[C@H](C)C1CC1)c1cccc(C(C)C)c1	2032155033	VXCOUUJZTDHDSY-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)c1ccc(C2CCC2)cc1	2032426445	HGKINMLMTOEXRM-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CCC2CCCCC2)C1	2037053037	INPWWIHAJCFOHF-RRQGHBQHSA-N	249.442	4.667	0	10	BJAE	
NC1(CC2C[C@@H]3C[C@H]3C2)CCCCCCCCC1	2037146217	VBBKJKGXHZXMMX-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1(CCC[C@@](C)(N)[C@@H]2CC3CCC2CC3)CC1	2037175864	LOKIYGSGXKTEOR-OCUYMYNFSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@]1(N)C[C@H]1C=CCCCC1	2037272226	SJCBZKSVEQSENJ-TWMKSMIVSA-N	249.442	4.523	0	10	BJAE	
O=C(CCC1CC2(CCC2)C1)CC1CCCCC1	2038169285	YMMPHAMIBDMBIS-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C[C@H](CC[C@@](C)(O)c1ccccc1)CC(C)(C)C	2038173416	CUGGVWGYOVNXGT-RHSMWYFYSA-N	248.410	4.747	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCC[C@@H](C)CC2)cc1F	2039373349	HOUHUPOEELYHHJ-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
CC(C)NC[C@@]1(C[C@@H]2CC[C@@H](C)C2)CC=CCC1	2040171169	CCQFBFCBODORJD-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NC[C@@H]1CC=CCC1)C1CCC(C)(C)CC1	2040638747	NYDBMQAAUGOTTM-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](N[C@H]1C=CCCC1)C1CCC(C)(C)CC1	2040679336	AYKVSPATZBDSDS-JKSUJKDBSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CCC1)[C@H]1C=CCCC1	2043190960	MIMINUQOTOLOQS-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
OC1(C[C@@H]2C=CCCC2)CC2(CCCCCC2)C1	2046232334	VVYBMEIGAAEKNK-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
NCC1(C[C@@H]2CC23CCCC3)CCCCCCC1	2047009499	QWCAGCWPWDJTFH-OAHLLOKOSA-N	249.442	4.646	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H]1CC12CCCC2	2047063334	VNVYWNZMSOTXBR-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@@H]1CCC12CCC2	2047938737	IHFICGPWTRDDHK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)C2[C@@H]3CCCCC[C@@H]23)CCCCCC1	2049169071	CECPOOUAOBXFTG-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](Nc1ccccc1F)[C@H]1CCCC(C)(C)C1	2049528042	GTSKQNJNRFXBRV-OLZOCXBDSA-N	249.373	4.843	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1NC1CCCCCCCC1	2049673761	XMZSFSZCPJUWGJ-PNBKFKSVSA-N	249.442	4.514	0	10	BJAE	
CC1(C(=O)CC[C@H]2C[C@H]2C2CC2)CCCCCC1	2052499936	AWIIZJLGUAOHST-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC(C)C)(C2CC=CC2)C1	2053693927	IFUZFVDSMDHPKA-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@H]1C=CCC[C@@H]1C	2055570922	DUIZLCDFXZTGFS-QAETUUGQSA-N	249.442	4.536	0	10	BJAE	
C[C@@H]1CCCCCCN1C[C@@H]1CC12CCCCC2	2057103870	URONVKNYKIZMGR-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC1CCC(CCC2(C)CC2)(CNC2CC2)CC1	2059180164	IIHPTXSSHNIQTE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@]2(N)C[C@H](C)CC[C@@H]2C)CC1	2061122425	ORCNTQLKQSIAIY-WBTNSWJXSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H]2CC[C@H](CC)CC2)CC1	2061149084	ACWPNZHTEFHTNH-SRABZTEZSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1NCC	2061561958	XZSPHEJVEWHJKB-OAGGEKHMSA-N	249.442	4.548	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1CC(=C2CC2)C1	2061648124	VGMXEEZOAPZVKB-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CC[C@H](C(=O)CCC[C@H]1C[C@H]1C)c1ccccc1	2062636753	DZVAAJMNDWTSQL-KBMXLJTQSA-N	244.378	4.576	0	10	BJAE	
Cc1cccc(OC[C@H]2C[C@@H]3CCC[C@@H]3C2)c1C	2063532399	VCZIWTBWUKYBJK-PHZGNYQRSA-N	244.378	4.509	0	10	BJAE	
Cc1ccc(OC[C@H]2C[C@@H]3CCC[C@@H]3C2)cc1C	2063536832	WLWKNMUUQOVCNH-PHZGNYQRSA-N	244.378	4.509	0	10	BJAE	
CC1(C[C@@H](N)C23CCCC2CCC3)CCCCC1	2063821691	KABSYACJHSDCAX-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1CC(N)(CC23CCC(CC2)CC3)C1	2065339666	OCCXCMZBBBIUAG-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC1(CN[C@@H]2CC[C@]3(C)C[C@H]23)CCCCCCC1	2065665844	XPLPYFAEANIKKD-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CC(C(C)C)C(C)C)c1	2068837131	PVAYEOWMWUWIMH-QGZVFWFLSA-N	247.426	4.622	0	10	BJAE	
Cc1cc(C)cc(C(=O)CC(C(C)C)C(C)C)c1	2068985723	AUMFJMUDDPUMLY-UHFFFAOYSA-N	246.394	4.804	0	10	BJAE	
CC(C)c1ccc([C@@](C)(N)C[C@H](C)C(C)C)cc1	2069018881	LPDOSVAVLGTNQX-YOEHRIQHSA-N	247.426	4.666	0	10	BJAE	
CCCC1(C[C@H](N)c2ccc(C)c(C)c2)CCC1	2069269263	ZXWJRAFAJYJRFQ-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
CN[C@H](CC[C@H]1C[C@@H]1C)c1ccccc1C(C)C	2072075370	GUNSSIHWDSOTMF-GRDNDAEWSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1ccc(C)c(F)c1	2072417673	OSIPGKDOLVAFKX-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C=C2CCCCC2)CC1	2072701745	BQFDMKGMYNBCGP-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@]23CCCC[C@@H]2C3)C1	2074115342	XFQGXXYFQZQQCT-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@]2(C)CC=CCC2)CC1	2074644084	NAPONSDJZLIRKV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CN([C@H]1C=CCCCC1)[C@@H]1CCCCC12CCC2	2075401398	MMHLFHUKYDSKIV-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2C[C@H]2C2CCCC2)CCC1	2079833313	SSRIKBFOWCJZQA-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@@H]1C1CCCC1)C1CCC1	2079865631	PERUZCSAIKZPIS-UKRRQHHQSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C[C@]1(N)CCCCC12CCCC2	2079870869	ONRLMRYWTPNMTI-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@]1(CC=C2CCC2)CCCC[C@H]1C	2081677838	QVWVKFUXPVBIAC-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CN(CC=C1CCC1)C1CC(C)(C)CC(C)(C)C1	2081798268	ONHGJABNBJIOLW-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCN[C@@H]1CC(C)(C)C[C@H]1C[C@H]1C=CCCCC1	2082225104	MHPMSTNXUVEAHT-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC1C2(CC2)C12CC2	2083540267	WIEIYNBCHHRIKQ-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
C1=C[C@@]2(CNc3ccc4ccccc4c3)CC[C@H]1C2	2112799483	AJQSOWPQVCHIGU-KBXCAEBGSA-N	249.357	4.608	0	10	BJAE	
C1=C[C@H](CCC2C[C@H]3CCC[C@H](C2)C3)CC1	2210344729	QAPRZSZXJHHYJH-KKUMJFAQSA-N	218.384	4.949	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1sc(C)c(C)c1C	2211701810	DRJFNPRQMCNEAT-RKDXNWHRSA-N	238.396	4.538	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)CCCCC1CC1	2214568929	KJKHXORJUJNWOJ-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC1(C)CC2(CCC2)C1	2215463441	BBLODZCYZYRZQU-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@](C)([C@@H](O)[C@@H](C)CCC(C)C)CC1	2215819517	WKUQBFCDHBUXLJ-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC)CCCC(C)(F)F	2217153688	NQDLADHIJAPHAZ-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1CC12CCCC2	2218719991	DQEDYKHWOQEWSA-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C1C[C@H]2CC[C@@H]2C1	2218731444	KICRGMHAQBKWBM-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@@H]1CCCC12CC2	2220045382	JRTBPIIONOHNDK-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H]1C[C@@H](C)c2ccccc2N1	2220901246	HPMZJDAGUGBFSM-APIJFGDWSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@H]2C[C@H]3CCCC[C@@H]32)C1	2221083380	IQLWRBIQPTUKQK-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@](C)(CNCCC[C@@H]2CC2(C)C)CC1	2221645146	WGWAZJSPVDYTEV-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC1=CC[C@H](N[C@H]2CCC[C@H](C(C)(C)C)C2)CC1	2222269584	SHVOKVKWKHSYLF-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
C(CCCC1CC1)CCCN1CC[C@H]1C1CCC1	2223106082	QHTUCKKVCJEJAA-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC1(CCC)CCC1	2244774374	GECXUAWTAOGSPU-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(N)C(C)C	2244835259	BYONXEHSLSWXCF-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC2(C)CC(C)C2)CC1	2246445053	AISOLPVJOIYSGX-GYTBAZASSA-N	238.415	4.534	0	10	BJAE	
CC1CC(C)(Cn2ccc3ccc(Cl)cc32)C1	2246523409	PMJOPTYBCNUUSV-UHFFFAOYSA-N	247.769	4.731	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)CC[C@@H]1CCC[C@H](C)C1	2246662799	ICQNEWPGVMCORB-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CCCC[C@@H]1C[C@@H]1C	2247176810	RWMVLCGDVISVIU-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CCNCC1CCCC1	2250491816	RLOQSYLBQGAASG-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNC1(C)CC(C)C1	2250495780	LOACPFNUFVNJDI-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNC[C@H](C)C(C)C	2250530898	WDXNVMFCPUCMCI-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@]12CCC[C@H]1CC2	2251130755	UTOYVRXPCUJLTK-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CN(CC(C)(C)C)[C@@H]1CC(C)(C)CCC1(C)C	2251708501	REJXJDDXVXTLLJ-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
O=C(CC1CCCCC1)C[C@H]1CCCCC12CC2	2253780735	AWEIPUFLIGDYBA-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC1(C)C[C@H](CCC[C@@H]2CCCCC23CC3)CN1	2253891358	VZBSUYQFFVZNHV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H]1CCC[C@H]1C(C)C	2255054376	UEWOASOTQYOXNV-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@@H](CC2=CCCCC2)C1	2255092072	QJZPPXGFROHTGQ-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@@H]1CCCC12CC2	2255221298	ABLKFFZGPJJNBH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc([C@@H](O)CCCC2CCC2)cc1	2256308144	AESSFUOZQDSJLW-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
C[C@H](NCC1(C)CCCCCC1)[C@H]1CC12CCC2	2256441761	DEHLUGWYKKWSJF-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C=C2CCCNCCC2)CC1	2256983117	LEGWUQQYTIFKQR-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCC12CCCC2	2257313838	WXIWAGRWOXZWKC-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(C)c1NCCCCC[C@@H]1C[C@H]1C	2257333738	YSCDQHMQCGLIIR-HZPDHXFCSA-N	245.410	4.932	0	10	BJAE	
CCC[C@H](CC)[C@@H](C/C=C/c1ccccc1)NC	2259440405	FJOLEWGFZBBROW-DKTLHIEFSA-N	245.410	4.504	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@]12CCC[C@H]1CC2	2260492288	QMJVJRPJVAYKEC-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@]12CCC[C@H]1CC2	2260508924	SFGYPMCSZAUUJR-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](C[C@]23CCC[C@@H]2C3)C1=O	2261448817	IBMZUVSHUCLTJK-PBFPGSCMSA-N	248.410	4.598	0	10	BJAE	
CC1CC(CC[C@@H](O)c2cccc(C(C)C)c2)C1	2261511793	GMNLLBCGAXZLHH-MQBCKMQZSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@@H](C)CC2CC2)CC1	2298883909	MIUMGDNJXURMQS-YDHLFZDLSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@H]1C=CCCCC1	2300468517	KLLZNDSMLUCOKO-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C1CC(C(C)(C)C)C1	2300471276	HQRWAXYZRAMYPA-ZBCRRDGASA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1cc(C2CC2)ccc1Cl	2300674645	XBJPNTBDLZLWSN-IINYFYTJSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CC[C@H]1CCC(C)(C)CC[C@H]1O	2300687463	CLPIOSHUKYSXJK-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@H](C)C1CC1	2300878982	CTCNWJMNOABEMB-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CCC=C(C)CCCC(C)C)C1CC1	2300902659	XAHTVWRDZRHGPK-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CCC=C(C)CCCC(C)C	2300917031	VDZJMFLGJQLMMI-CVEARBPZSA-N	239.447	4.913	0	10	BJAE	
CC[C@H](C)[C@H](CC=C(C)CCCC(C)C)NC	2300936200	CJMCIINTSLVINJ-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CNCC1(CC2CCCCCC2)CCCCC1	2301243306	AWZFKMYDJMIXHA-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC1(C)C[C@@H]1c1csc(C(C2CC2)C2CC2)n1	2302260893	XSRKVLPBAXNXCO-LLVKDONJSA-N	247.407	4.560	0	10	BJAE	
CCCCC[C@](C)(N)CC[C@H]1CC[C@H]1C1CC1	2303156818	FKKAHQWAZIECBR-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1C(=O)CC1CCCCC1	2303397225	RTQSYFJWJYFKLM-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@@H]1CC[C@H]1C(C)(C)C	2303461630	LCQFAUYBUFONBF-ZENOOKHLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)[C@@H]1CCC[C@@H](C)C1	2307893727	JINFZVBGLWWAHP-QKPAOTATSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@H]1CC(=O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2312588850	GPGLPQVBDMTDBC-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@@H]1C[C@H]1C1CCCC1	2312767467	CILXXORTKRPMOO-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1C[C@@]12CCC[C@@H]1CC2	2313333792	PUXLRSCXNOLAFC-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CCC1)[C@@H]1C=CCCC1	2313662151	QBIJNBJGTWBZMS-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H](N)C1CC2(CCCCC2)C1	2313692303	MXTFNEHAVBAYKP-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@H](CCC(CC)CC)NC	2316248670	RGZZMNREIAKULO-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CC=CCC(N)(C1CCCCC1)C1CCCCC1	2316532841	SVYIIPMOKPJSSC-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CC1CC(C)(C)C1	2317556969	WZLBARNSQJSCKB-UHFFFAOYSA-N	245.341	4.525	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C)c(C(CC)CC)c1	2318387788	SEXGZSBZKJKSFK-AWEZNQCLSA-N	247.426	4.959	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@H]1CCCC1=CCCCC1	2318537483	FPFKHOVVVJOUDE-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CNC[C@@]1(C[C@H]2CCC(C)(C)C2)CC=C(C)CC1	2319073603	OWMKIDMBPLCPIC-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC(C)(CCC(=O)C[C@H]1CC[C@@H]1C1CC1)C1CC1	2319583541	MBRWRVSLUFGJMV-CZUORRHYSA-N	248.410	4.598	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H](CC1CC1)C1CC1	2320784766	QYUDDDWLPOUWGR-INIZCTEOSA-N	246.394	4.662	0	10	BJAE	
CCc1cc(F)cc(NC2CC3(CCCC3)C2)c1	2321095545	JWYDISANNCBTJW-UHFFFAOYSA-N	247.357	4.523	0	10	BJAE	
Cc1cccc(F)c1NCC[C@H]1CCC(C)(C)C1	2321526448	DYZFIVCLKYAFTJ-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
Cc1cc(NCC[C@@H]2CCC(C)(C)C2)ccc1F	2321531759	RNVQSBHMFLHYCM-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
CC1(C)CC[C@@H](CCNC[C@]2(C)CC=CCC2)C1	2321614510	WAQUCVNHOXZQQR-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc(OC)c(C[C@H]2C=CCCCC2)c1	2327816281	HFSWZDSZSIYAOI-HNNXBMFYSA-N	244.378	4.547	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1c(C)cc(C)cc1C	2328280463	AJUMYSNRQIGQPB-HZPDHXFCSA-N	247.426	4.828	0	10	BJAE	
CSc1ccc(NC2[C@H](C)CCC[C@H]2C)cc1	19994528	UVEBOJVWUQUGGT-VXGBXAGGSA-N	249.423	4.645	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1ccc(C(C)(C)C)cc1	20554334	ALISYGXQUFNRFS-XJKSGUPXSA-N	245.410	4.975	0	10	BJAE	
CC[C@@H](Nc1cc(C)ccc1C)c1cccs1	21060973	QOVUJNPHAUOMJP-CYBMUJFWSA-N	245.391	4.928	0	10	BJAE	
Cc1ccc([C@H](N)C[C@@H](C)CC(C)(C)C)s1	36889529	SMEDYYTXHPEWAY-ZYHUDNBSSA-N	239.428	4.519	0	10	BJAE	
CC(C)C[C@]1(N)CCCC[C@H]1C1CCCCC1	37376847	NDODPUAUEXAPBA-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
COc1cc2c(C)csc2c(Cl)c1Cl	39474576	AUAKEDNCZNXHCB-UHFFFAOYSA-N	247.146	4.525	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1CCCC1)c1ccc(C)cc1	70533231	HVMBTYMVJMRWEX-WMLDXEAASA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccc(C)c(C)c1	70977609	NVEDIRRRWTYPLM-ZBFHGGJFSA-N	231.383	4.684	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCC[C@@H](C3CC3)C2)c1	81624151	XDOANOVDEGZCKI-CVEARBPZSA-N	243.394	4.684	0	10	BJAE	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(C)(C)C	82628079	NYIGBIZUMXOQLA-JTQLQIEISA-N	238.758	4.595	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1CCCCCC1	87946515	RLJJLDOIPAORGX-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC(C(=O)c2ccc(C)cc2)CC1	87959763	VSFKZKOVOGIWAF-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Sc1cc(N)ccc1C	91942511	QBXPXMHLVSHOSE-GXTWGEPZSA-N	249.423	4.638	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCC[C@H](C)C1	103929390	OJAPSDHFFJTJJB-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCCCC1(CNC)CCC(C(C)(C)C)CC1	104012510	KWEPQJYIZAUKSC-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H]1CCCCc2ccc([C@H](C)CC)cc21	104168757	RAOLUINPZVWJAF-CXAGYDPISA-N	245.410	4.577	0	10	BJAE	
CC/C=C\C[C@H](C)c1cc(C)ccc1C	107531765	IERUVTRANXWWCW-FWWRYZNZSA-N	202.341	4.763	0	10	BJAE	
CCC[C@H](CCCN)c1ccc(C(C)(C)C)cc1	107537506	XPVHKZZZBHIJGM-CQSZACIVSA-N	247.426	4.607	0	10	BJAE	
CCCC[C@@H](C)N[C@H]1CCCCc2ccccc21	109946648	JAJQRXAJEHHFBW-PBHICJAKSA-N	245.410	4.622	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1C1CCCCC1	110257996	AETGGIXKTIRWTI-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)C1CCCCC1	121996986	RHDFQGBQIHGRSE-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@H](C)Nc1c(F)cccc1Cl	135245883	DHMWSSYWKRAHRG-JTQLQIEISA-N	243.753	4.860	0	10	BJAE	
CCC(CC)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1N	149462615	UVEPYFMBPBDNTA-YUELXQCFSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)C[C@@H](CNCC(C)C)C(C)(C)C	162419531	BQQZHAOEFZCUIV-GJZGRUSLSA-N	241.463	4.721	0	10	BJAE	
Cc1cc(C)cc([C@H](C)NC[C@H](C)C(C)(C)C)c1	162658414	ZLYUDKYDDNWRFC-GJZGRUSLSA-N	247.426	4.636	0	10	BJAE	
CCC[C@]1(CCCC(C)C)CCCCCN1	165928543	WIBLSXFFVASDJT-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCc1ccccc1C(=O)C1C[C@H](C)C[C@@H](C)C1	165987399	OVTSXWJBNBJBBH-CHWSQXEVSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C)Cc1cc(Cl)cc(Cl)c1	167130406	CKEJYBLZATZAFN-UHFFFAOYSA-N	217.139	4.582	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)c1ccc(C)o1	225976434	FQDWLJVLXUCCST-ZIAGYGMSSA-N	237.387	4.598	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1CCC[C@@H](CC)C1	227390117	LSVPAHXWOKGCIV-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	228735764	VJYLCWSUFVHEPR-CLWVCHIJSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](c1cc2ccccc2s1)[C@H](C)CC	228813202	JTSBNHHIKDBPJT-ABAIWWIYSA-N	247.407	4.598	0	10	BJAE	
CCCCCC[C@H](NCC)c1cc(C)cc(C)c1	229476965	PMZXLPVFNDNQGR-KRWDZBQOSA-N	247.426	4.924	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@@H](C(C)C)C2)c1C	230986385	JCEZPVYRWJYBNN-CVEARBPZSA-N	245.410	4.930	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(C2CCCCCC2)C1	231014130	KHSVLWUELQINTC-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCCCCc1c[nH]c2c(C)cc(C)cc12	232942859	ZGHIFFWBJWWGED-UHFFFAOYSA-N	229.367	4.908	0	10	BJAE	
C[C@H]1C[C@H](c2ccc3c(c2)NCCC3)CC[C@H]1C	235387073	MKSRGPZOXYYAQJ-VNHYZAJKSA-N	243.394	4.584	0	10	BJAE	
Cc1cccc(N[C@@H]2[C@@H](C)CCC[C@H]2C)c1C	251012797	ZHROPZIYGQEDAR-VIKVFOODSA-N	231.383	4.540	0	10	BJAE	
C[C@H](CCN)c1ccccc1C1CCCCCC1	258248575	DPMNPOYDEMWBIU-CQSZACIVSA-N	245.410	4.577	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1ccccc1Cl	300795939	DCMUVZMGDAUGGI-ZDUSSCGKSA-N	240.774	4.590	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCCC(C)(C)C)CC1	302284349	JVUBYIPUEYXOFQ-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](N)CCC1CCCCC1	305981914	AQOLAIOMLVHLNA-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C)CC1(N)CCC(C(C)C)CC1	306016515	XQKBQRAMIVKNOZ-QQFBHYJXSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CCCC(C)(C)C	308036170	YSZUZZIHEKUSOX-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)C1=CCCCCCC1	308057815	DGFANYAKYRXPIZ-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
Cc1cc(Cl)ccc1-c1cccc(F)c1F	309325529	QTMVWJOHVHEZCJ-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)C1=CCCCCCC1	310233242	HHOFQEHBFFFVPC-CQSZACIVSA-N	238.415	4.700	0	10	BJAE	
CCCC1([C@@H](N)C[C@H](C)C2CCCCC2)CC1	310375335	ZMGWIZKAMNGSNX-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)C1CCCCCC1	310405828	LPDXJXVNYUTQGB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(CC[C@H](O)CCCC(C)(C)C)cc1	310579862	PGVATPRPONAKHG-MRXNPFEDSA-N	248.410	4.505	0	10	BJAE	
CC1CCC(CC(=O)[C@H](C)c2ccccc2)CC1	310735384	GGGNWFWGRKAYPX-SHARSMKWSA-N	244.378	4.576	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@H]1CCC[C@@H](C)C1	310813427	ANXOSLHISYSPSP-UKRRQHHQSA-N	241.378	4.776	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](N)C2(CC)CC2)cc1	310902755	FNSIYNIEIGJEBD-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CN[C@H](CCCC1(C)CCCC1)c1ccccc1	311184874	BLIVINLLZSLVFK-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCC[C@H](NCCC1CCCC1)C1CCCC1	313426931	ZLOWTQHOJRBNDE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](C)n1ccc2c(C)cccc21	319722065	VODXATAGIOSEEU-YPMHNXCESA-N	215.340	4.557	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	383139525	MDQGYJIOEHYPDO-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
Cc1csc([C@H](O)CCCCCC(C)C)c1	383213613	QJLLNVXPIGMVJQ-CYBMUJFWSA-N	240.412	4.696	0	10	BJAE	
CC(C)CCCCCNC1C[C@@H](C)C[C@H](C)C1	383273456	NUXIIXWWMMJOGI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C2(C)CCCCC2)C1	383433552	CDYNHBQIMLDFIS-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@H](C)C1CCCCC1	383749238	DOLJCKADBDIBRO-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CC(C)Cc1cccc([C@@H](O)[C@H](C)CC(C)C)c1	384468464	RGFWXQBALZOVQA-PBHICJAKSA-N	248.410	4.601	0	10	BJAE	
CCCC1(CN[C@H](C)c2ccc(C)cc2)CCC1	391771443	FIHXFILYYYQTJG-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
CCCCCC(C)(C)CNc1ncc(C)cc1C	394750859	SVNYCTCNDFEYJC-UHFFFAOYSA-N	248.414	4.717	0	10	BJAE	
CCOc1ccc2scc(CC)c2c1Cl	396185455	DKDONNFICBCNRL-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1cc2scc(C(F)(F)F)c2cc1S	396299020	IYUHEZRUOZCLBA-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCC(CCC)[C@H](CC1=CCCC1)NCC	401100260	XYGHVADTIZOWIQ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC1(NCCC(C)(C)C2CC2)CCCCC1	406020324	DHLAMTYSNBOXHK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCSc1ccccc1N[C@@H](C)C(C)(C)C	687710669	RWYGBCOTSCTDBB-NSHDSACASA-N	237.412	4.645	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](CC)[C@@H]2C[C@@H]2C)c1	689507322	UHHYAQWKNPUBCR-APHBMKBZSA-N	245.410	4.658	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCC1CCCCCCC1	695099954	QULZPPPAKMIQSI-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C(CC)(CC)CC	696702078	BMIFRZBIDZTQAK-ZDUSSCGKSA-N	228.420	4.780	0	10	BJAE	
CCCCC[C@H](CC(C)(C)C(C)(F)F)NCC	697096050	DINZQKNXOLVLIO-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2C[C@@H]2C(C)(C)C)cc1	699803754	VUGVKJXGMWQPPL-GJZGRUSLSA-N	244.378	4.675	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCCCC12CCCC2	704471086	BMTWVTRZEXPCNQ-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
C[C@](N)(CC1CCCCC1)[C@@H]1CC2CCC1CC2	704508698	PGTNUUVCCJDBSD-BNICSPFPSA-N	249.442	4.501	0	10	BJAE	
C/C=C\[C@H](NCCC)C1(CC(C)C)CCCC1	704654768	UTBBKXIRFINLKE-ZHMISCPASA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC(CC)(C2CC2)C2CC2)C1	704661262	VMTCREWVWUETAK-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CCCCc1ccc([C@H](N)[C@H](C)CC(C)C)cc1	704757400	WWSXLZYYPDELSS-RHSMWYFYSA-N	247.426	4.711	0	10	BJAE	
CCCCCC[C@]1(N)CCCCC[C@@H]1CC	704951945	OKQUDCUEBVRHQU-GJZGRUSLSA-N	225.420	4.645	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(C[C@H](C)CC(C)(C)C)C1	709077333	IUQTVEIJPQWIFI-IIAWOOMASA-N	239.447	4.604	0	10	BJAE	
Cc1cc(F)ccc1NC[C@H](C)CC(C)(C)C	709099966	DQZDYRYGCULKCA-LLVKDONJSA-N	237.362	4.618	0	10	BJAE	
CCCC(O)(CCC)C[C@H](C)CC(C)(C)C	709248368	NXZPDURIANIQKJ-CYBMUJFWSA-N	228.420	4.780	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)C(C)(C)C)[C@@H]1CC1(C)C	710707541	PGZMNLDRYHLNQY-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H](C)C(C)(C)C	711134524	MQCZUBPJDPFPJL-GXTWGEPZSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CC(C)(C)C)CC1	713177155	ZWVGADRRDSPMII-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCCCCC(=O)CC(C)(C)C(C)C	713351788	PHNKELBWSDMAFU-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
C=C/C=C/CCc1cc(Cl)ccc1Cl	713739278	PMZACVDFFQWAHJ-ONEGZZNKSA-N	227.134	4.668	0	10	BJAE	
CCCCCC[C@@]1(CNC)CCC=CCCC1	719000315	WAFQYKTWWPXCLW-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)C(C)(CC)CC	721711563	SENHIQIRJUXNSD-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC1(CN[C@H](C2CCCCC2)C2CC2)CCCC1	724012307	SNRGVJTYULJDIS-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CNC2CCC3(CCC3)CC2)C1	1199759162	HGPCVRPBXBDMCH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CSc2cccc(F)c2)C1	1613589786	HPUXIGHQQQLJED-VXGBXAGGSA-N	238.371	4.744	0	10	BJAE	
CCC(C)=CCc1c(C)sc(C)c1C	1887862328	LPUHFUHMUXOHKK-UHFFFAOYSA-N	208.370	4.572	0	10	BJAE	
CCC(CC)c1cc(=S)c2ccccc2[nH]1	1903139313	LKFBCYNROWQZCJ-UHFFFAOYSA-N	231.364	4.801	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)c1cscc1C	1905448966	ZMAKOCOHDWGIFN-GXTWGEPZSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1CCCCCC1	1905449195	KDBYWWOKXDQDHJ-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1CCCCCC1	1905455224	YNSDDJXRXOHOQD-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)(CC)[C@H](CCC[C@@H]1C[C@@H]1C)NC	1908577422	IYUIFCQVXCOCGA-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCCCC[C@H](NCC)c1ccccc1	1912081580	HZHXLVZQXQTAID-KRWDZBQOSA-N	243.394	4.640	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCCc1ccccc1	1919969398	IXMBUBQCFNHESK-RDJZCZTQSA-N	248.410	4.587	0	10	BJAE	
CCC[C@H](C)C[C@](C)(O)c1ccc(C(C)C)cc1	1920042409	BUEXGYGBDYPEOB-YOEHRIQHSA-N	248.410	4.844	0	10	BJAE	
CC(C)CCCCCC(=O)C1CC(C(C)C)C1	1921308737	OCBFVMONKUGXCK-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCCC[C@@](C)(CN)C1CCCC1	1924102485	ZXJVMLIXDZSUJL-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
C[C@@H](C(=O)CC1(C)CCCCC1)C1CCCC1	1924131826	WEBBEQODSLHVSX-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@H](C(=O)CCCC1CCC1)C1CCCCC1	1924139165	OEQRHYZWRRKWBP-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@H]1CCCC2(CC2)C1	1925735821	GKDKLORFNSBGMN-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccccc1C1(C)CC1	1926393270	MKWZYKDQLNCGLO-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CCCCC1=C1CCC(C)(C)C[C@H]1CN	1927147477	LYMIVYCAAQUYEJ-KGLIPLIRSA-N	249.442	4.668	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H](CC)C(C)C	1936208630	JCDSEMIUAIFLDE-KBPBESRZSA-N	226.404	4.844	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1cccc(Cl)c1	1937161437	IBVFHSBRANNNAY-LLVKDONJSA-N	238.758	4.595	0	10	BJAE	
CCc1ccc(C(=O)[C@@H](C)CCC(C)C)s1	1937167856	KWEHBAQPFUABFD-NSHDSACASA-N	238.396	4.566	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)CCCC(C)(C)C	1939034182	RNPSWJFNMVQIIA-ZFWWWQNUSA-N	228.420	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CC2(C)CCCCC2)C1	1940407500	JFTLCUZGGNXAMD-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](O)CC1(C)CCCCC1	1940408894	NCFQHXVDQZPSHF-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)[C@H](C)NCC(C)(C)C1CCCCC1	1940762536	JMLMLXRHGVIYQO-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](C)c2ccc(N)cc2)C1	1940968868	VCYOEBCXFVINSO-MGPQQGTHSA-N	231.383	4.589	0	10	BJAE	
CC(=C[C@@H](C)CC(C)(C)C)C1CCC(N)CC1	1940969638	BURHMPVVTIQSLX-LRVUVFPRSA-N	237.431	4.523	0	10	BJAE	
O[C@@H](CCCCCC1CC1)CC1=CCCCC1	1941577832	SHMZDYHKOHVMPY-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H]1CCC[C@H]1CCCCCC1CC1	1941687186	HQWFKQYRURTIAW-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)CC1CCCCC1	1942800593	DWIIMQYQJDFOQN-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(NC[C@H]2C=CCCC2)cc(C)c1Cl	1947583954	CQMKFLIAPIOLMT-ZDUSSCGKSA-N	249.785	4.725	0	10	BJAE	
Cc1cc(F)cc(N[C@@H](C)[C@@H](C)CC(C)C)c1	1948326926	NGFRYGXGGNXWDU-STQMWFEESA-N	237.362	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@H](N)c1csc2ccccc12	1949000193	YXIMMLXXDADVHC-HFAKWTLXSA-N	247.407	4.583	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1CCC[C@H](C)CC1	1950907293	CHDGEQHDVGBLKQ-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCCCC[C@@H]1C	1962882940	UHGRFLJVYHVQEX-HRCADAONSA-N	237.431	4.680	0	10	BJAE	
CCC[C@@H](C)CNCc1ccc(C(C)(C)C)cc1	1969381415	QYMBWNTWFQYFEU-CQSZACIVSA-N	247.426	4.510	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@H]1CCC2(CCC2)C1	1970869093	YAQONOJZTIKJCB-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CCCCCC1CC1	1976003373	LVPTULRGENOWPI-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1CC[C@@H](C)C1	1978456633	YLPZGKMBHJOBJF-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H](CC)CCCC	1984636322	YFHMVSCBCOGDLI-ZRJDUIELSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)c1ccsc1	1984640432	RKNVHCUAXUDBCQ-LYKUJDHUSA-N	237.412	4.535	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)C1(C)CCCCCC1	1988303793	XZQVSNLHOHGMTD-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CC)NC(C(C)C)C(C)C	1990090537	CNDBJUGUWHGPBD-CQSZACIVSA-N	227.436	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@H](C)C2)C1	1996232577	QAIHWDLWFDOVRD-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(C[C@](C)(O)CCC2CC2)CC1	1996367660	DUKWRXDMDUBHQK-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC=C[C@H](C)N[C@H](CC)C1CCC(C)(C)CC1	1996589928	SDPCVGVTYFEZFN-DZGCQCFKSA-N	237.431	4.536	0	10	BJAE	
C=CC=CCC[C@H](NCC)C(CC)(CC)CC	2000373044	PLAHRXOFYMUNFE-HNNXBMFYSA-N	237.431	4.703	0	10	BJAE	
CC(F)(F)CCC[C@H]1CCCCCCC[C@H]1O	2003112180	RUXUZLYCBIKOKF-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
O[C@H]1CCCCCCC[C@@H]1CC1CCCCC1	2003117363	NNFCAEHCSFMZJA-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CC1(CNCC2(C)CCC2)CCCCCCC1	2004937916	XBKSWCFUUVDTDS-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H]1C[C@@H](N)C[C@H](CCC2CCCCC2)C1	2006630401	WNELIZGMJVDYQN-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1C=CCCC1(C)C	2006915681	XPJKRNXYOGJSOJ-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC1CC(CC(=O)C[C@H](C)CC(C)(C)C)C1	2007770625	GQZRBXWGDCYOJZ-HSBZDZAISA-N	238.415	4.844	0	10	BJAE	
CC(C)C1CC(CC(=O)C[C@@H](C)C(C)(C)C)C1	2007773768	ZKDIBECNAQUFQG-IYXRBSQSSA-N	238.415	4.700	0	10	BJAE	
CC=C(C)[C@@H](NCC)c1csc2ccccc12	2007861237	LDGSCOAVUHKDHB-OAHLLOKOSA-N	245.391	4.518	0	10	BJAE	
CCCCCC[C@H](CC[C@]12CCC[C@H]1C2)NC	2011031483	QDEVTCPWMGKDEB-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CC[C@](CN)(C[C@@H](C)C1CCCCC1)C(C)C	2012434900	SIJWMQNIHJIBKB-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CC12CCC(CC1)CC2	2012824306	QZFSVIPJXUFCNX-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC(C)(C)CC(C)C	2013266587	IHZBIYMFUZZMCH-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](C[C@@H](C)C(C)C)NCC	2015290268	IPUGAJFCRVZMAR-OAGGEKHMSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CC1CCC(C)(C)CC1	2016830453	HHLWUSQYMIFGFS-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)C[C@H]1C[C@@H]1C	2016848548	PWMXISBXFYLZJI-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCNC1(C(C)(C)C)CCC1	2017108494	VFBXPEIHNDBKRT-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C(C)(C)C)C1(C(C)(C)C)CCC1	2017131695	TYRVFAQAZVFNHW-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC1(C(C)C)CCC1)CC(C)C	2017145143	HADYAONNJSTSOA-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CN(C)CC(CC)CC)CC1	2017648507	NHGRNUQVYACHKM-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@H](C)[C@@H](C)CC1CCC(CC)CC1	2017721740	LFYKEILZIUSWNY-QRNKSROTSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)C[C@H]1CC[C@H](C)CC1	2017725680	UEDDDZZAZYSGGQ-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CCC2(O)CC(C)(C)C2)CC1	2017727094	WLPVXTBZIISSQS-HDJSIYSDSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@@H](C)CNC(C)C)CC1	2017729539	XQEFPIJATDZARF-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)CC1(CCC)CC1	2018997724	ZCPKVTYHPZKWLT-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N(CC)C1CCCCC1	2019199663	LWIKFBHPSZBXQP-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@@H](C)CCC(C)C	2019408761	JBJSFOHYEGCWBX-HNNXBMFYSA-N	241.463	4.959	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H]1CCC[C@H](CC)C1	2020964265	GHOTZQOMJWGDKT-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@H]1CCC=CCCC1	2022412780	AAAOHCWFBDGKMQ-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
CCCNC[C@H](C)CC[C@H]1CCCC(C)(C)C1	2024091692	KMYLYOYGGPIBFP-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc(N[C@H]2CC(C)(C)C2(C)C)c1C	2025016889	FMDAKCRRCVZFDM-AWEZNQCLSA-N	231.383	4.540	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC(C)(C)C1(C)C	2025019403	QDGTYOHFVPGZRL-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@@H]1C[C@H]1C)NCC	2026165255	ZWOCJIUTJAEJAV-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@H](NCC)C1(C)C(C)(C)C1(C)C	2027153180	PXORTJLRJMKOIR-AWEZNQCLSA-N	249.442	4.559	0	10	BJAE	
CC[C@@](O)(Cc1ccccc1C(C)C)C(C)(C)C	2027459833	CFIRKTOKIOBMKU-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
Cc1ccc(N)c(-c2cccc(C(C)(C)C)c2)c1	2028092132	QZXBNUVWVYLQMK-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1c(C)c(C)cc(C)c1C	2028233807	ZVCDRESTHSFTFX-RDJZCZTQSA-N	248.410	4.636	0	10	BJAE	
CCCN[C@@H](C=Cc1ccccc1)CCC(C)C	2028584309	UBYZGQQJWPTUBO-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
Cc1cccc(C)c1C(=O)CC1CCC=CCC1	2028872344	DPSHCIQAVVSZBZ-UHFFFAOYSA-N	242.362	4.623	0	10	BJAE	
CCCc1ccccc1[C@@H](N)[C@@H](C)CCC(C)C	2029823188	GUSPUNDDRQFRSU-YOEHRIQHSA-N	247.426	4.711	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(O)[C@H](C)CCC(C)C)c1	2029838887	VGELOUCHIMNNCQ-WBVHZDCISA-N	248.410	4.583	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@H](C)CCC(C)C)c(C)c1	2029839183	XTMKPSNGJBHXFO-CXAGYDPISA-N	248.410	4.718	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NC[C@]12CCCC[C@@H]1CCC2	2031808214	JYLQXIYVEJEAED-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc2ccn(C[C@@H]3C=CCCC3)c12	2035560083	SXYDWZVRTNNEIM-CQSZACIVSA-N	239.362	4.560	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)C1(CCC)CC1	2035575850	KRLKYZUCBIVXTD-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC(CNC2CC2)(C2CCCCC2)C1	2036487881	YENGQDGZYKHRIF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC1CC2(CCCC2)C1	2036540517	BRWVFDRLVDGDBW-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CC(C)(C)CC2(CC2)C1	2037170887	VXZUJPYLOMNWGV-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CCC(C)C)c1ccccc1	2038128724	PNEQKSVEYKUNFH-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
CN[C@H](CCCC[C@H]1CC1(C)C)c1ccccc1	2038134928	UERUSQNMUVWALP-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
C[C@@H](CC[C@](C)(O)c1ccccc1)CC(C)(C)C	2038173418	CUGGVWGYOVNXGT-YOEHRIQHSA-N	248.410	4.747	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2C=CCCC2)CC1	2039374258	GIHUYPJMBARZRP-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CCC[C@@H](NC2CC3(C2)CC(C)(C)C3)CC1	2039459832	HXLBDRHGVMCMCP-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)[C@@]2(C)CC=CCC2)CC1	2042020027	TZQPVCOPOMUVKU-WBVHZDCISA-N	249.442	4.667	0	10	BJAE	
C[C@H](CNC[C@]1(C)CC=CCC1)C1CCCCC1	2042071739	JJFCVXPERRXYLU-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
O[C@@]1(C[C@@H]2CCC=CCCC2)CCCC2(CC2)C1	2045334892	MHRCTLQAELEMQU-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CC[C@H]2C2CCCCCC2)C1	2045521336	KBAOXAFGQCHWKF-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cccc2c1CCC2	2045680909	QOWUIGACBCPRPL-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
C[C@H]1CCCC[C@@H]1NC1CC2(CCCCCC2)C1	2046230512	SUKFQWDAAATZIU-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC(C)=CCCN[C@@H]1CCCCC12CCCCC2	2047587374	RGOKIMCGQXIYQH-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1C[C@@H]1CN[C@@H]1CCCCC12CCCCC2	2047592697	LHUCNKYIIKTVQQ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H](N)C[C@H]2CC3CCC2CC3)CCCC1	2049796635	YHPIIKOXQPVOEK-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2CCCC3(CC3)C2)CCCC1	2049860492	VHZPHGPXTXOZQW-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2CCC3(CC2)CC3)C1	2049860727	SZGZVIQCJNYBQI-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2CCCC3(CC3)C2)CC=CCC1	2049949283	XXOOEZBTITWQFG-GOEBONIOSA-N	246.394	4.662	0	10	BJAE	
CN(CCCCCC1CC1)C[C@@]1(C)C=CCCC1	2049972801	KSDKUIHEWDKULL-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
C[C@]1(C(=O)CC2[C@@H]3CCCCC[C@@H]23)C=CCCC1	2049999153	AZMQGERQBIPSAU-CPUCHLNUSA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](CC=C(C)C)c1ccc(C(C)C)cc1	2051397568	BJVMXBQTEGUWHE-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)C[C@H]1CC12CCCC2	2053405546	YGUVGQCENPFLQX-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCCCC[C@@H]2C(C)C)CCC1	2055553779	CAMYQBVZCXRHIO-BRWVUGGUSA-N	249.442	4.680	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2C=CCC[C@H]2C)CC1	2055589552	WHOVJZIGZDAPLD-ZBFHGGJFSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)[C@H]1CC=CCC1	2056644714	FLBMJBWJLFBMIA-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CC1CC(C(C)C)C1	2056669325	ILTBPQBBVQTJPG-GIOUXUJVSA-N	248.410	4.620	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C2=CC[C@@H](C)CC2)CC1	2060914997	WNSKODALEWYEIJ-INMHGKMJSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C)CC1)C1(CC)CCCC1	2060921737	NFWITAGWFSWYEA-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CC[C@]23CCC[C@@H]2C3)CC1	2061626083	HXXDTDCSFMPZBM-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC(C)CNCC[C@@H](C)CC1CC(=C2CCC2)C1	2061666607	AXJGHFLJYWIXLO-CQSZACIVSA-N	249.442	4.539	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)CC1CC(=C2CCC2)C1	2061733368	DJJLNGMKAPBXRN-WBMJQRKESA-N	249.442	4.667	0	10	BJAE	
C[C@](N)(C[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2063487541	QDNHIHCVWJHCNN-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC12CCC(CC1)CC2	2065256676	CXTUYFOSYPZOBR-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)CCC12CCC(CC1)C2	2065278897	DACGBXSCMMGMQB-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(CC23CCC(CC2)CC3)C1	2065327442	MDDARRHDYRHYFB-RDHHWEPZSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](CC[C@@H](C)C(C)C)c1cccc(C)c1	2069017985	XIBPUVQFOXYSKB-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CCC1(CC[C@@H](NC)c2cccc(C)c2)CCC1	2069285345	QUPZOPJIAUMKLJ-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCC1(CC2(N)C3CCCC2CCC3)CCC1	2069341037	ATBHTZLIWRMDJU-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCC1(CC2(N)CCC3(CCC3)CC2)CCC1	2069342813	SNSXPLUJXKEITI-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CC(C)CC1(C(=O)CC2CC(C3CCC3)C2)CC1	2069506360	BDLGKINNJRQKKS-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCC(O)(CCC)C1CC(c2ccccc2)C1	2071395713	JSZDWXCGNGJAKZ-UHFFFAOYSA-N	246.394	4.512	0	10	BJAE	
Cc1cccc(C(=O)CC2(C(C)C)CCC2)c1C	2071922912	XDQXKQLATOCKDN-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC(C)(C)C1(C(=O)CC23CCC(CC2)C3)CCC1	2071932102	CTVOLSGHCJGSBN-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)C1(C[C@H](N)C[C@@H]2CCC23CCC3)CCC1	2071943588	OLXLKCWOIJXBPC-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@H](N)CC2=CCCCC2)CC1	2072810710	YGQYOSANNBYLHS-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
CCC[C@H]1CC[C@H](COc2ccc(C)cc2)CC1	2072880913	BJIJXXVVUAFLOZ-WKILWMFISA-N	246.394	4.980	0	10	BJAE	
CCCN[C@@H]1[C@H](C[C@H]2C=CCC2)CCCC1(C)C	2076399517	BWCOJGSWBBBZMK-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@H]1Nc1ccccc1C1CC1	2077264744	ZFRWKRWBZNAHAZ-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
C[C@]12CC[C@H](Nc3ccccc3C3CCC3)[C@@H]1C2	2077264860	CIVPWYLZKQTZKZ-BHYGNILZSA-N	241.378	4.555	0	10	BJAE	
CCCCc1ccc([C@H](C)C[C@@H](C)NCC)cc1	2077920542	LZGDUUIHEYNLBI-HUUCEWRRSA-N	247.426	4.521	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1ccc2ccccc2c1	2079458876	QCASSDACPBTISN-ZBFHGGJFSA-N	239.362	4.688	0	10	BJAE	
CCC/C=C/CNC[C@@H]1C[C@H]1C1CCCCCC1	2079462383	PNCTWCPIUSEJAL-JZMNBNJPSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H]1c2ccccc2NC[C@H]1C	2079668925	DFUQSPXNXKKLJJ-KQTLUZQSSA-N	243.394	4.658	0	10	BJAE	
O=C(CCC1CC1)C[C@H]1C[C@@H]1C1CCCCCC1	2079850325	FAVLPTFZUCPZTJ-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CC(=O)C[C@H]1C[C@@H]1C1CCCCCC1	2079862646	IYZVOCMCBOGCHY-JJAZEVLHSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1[C@H](C)NC1CCCCCC1	2081217236	IONGSVWBPACCKO-AWEZNQCLSA-N	245.410	4.622	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H]1C[C@H]1C1CCCC1	2081794198	ZTFBHVDTFFDHHB-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CC[C@@H]1CC(C)C	2081956102	VXBRNYWLXVHMQM-CJNGLKHVSA-N	249.373	4.625	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cccc(C(C)(C)C)c1	2083551404	YDRXYWNLNIBILV-BBRMVZONSA-N	248.410	4.844	0	10	BJAE	
CC(C)[C@H]1CC[C@](N)(CC2CCC3(CC2)CC3)C1	2085303728	QFWNEZHUOHJERU-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(Cl)cc(O[C@@H]2CCC(C)(C)C2)c1	2212534301	YLACAKMFTFIRGF-GFCCVEGCSA-N	238.758	4.606	0	10	BJAE	
CCCCCCC(=O)C/C=C/c1ccccc1	2213836350	VSGDSFCOFGCTNL-FMIVXFBMSA-N	230.351	4.629	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@H]1CC[C@H]1C	2214927569	VTNQSKUQOFGBFP-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@]1(C)CC=C(C)CC1	2215811499	CEJHWRJZEQFJMI-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC)[C@H]1CC[C@H](CCC)CC1	2216282247	HPEHIZMABSJITR-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)N(CCCCC(F)F)CC(C)C	2216504665	MMEFHAPVNCKYAZ-UHFFFAOYSA-N	249.389	4.568	0	10	BJAE	
C[C@@H]1C[C@@H](O)[C@H](CCCCCCCC2CC2)C1	2216858226	BTLKBLIBTLJNKL-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC=Cc1ccccc1	2219067333	SYAQCQWRKRMWLE-SJORKVTESA-N	246.394	4.667	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2220961873	OTIRYHHFJMMBJP-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1(C)CC2(CCC2)C1)C1(C)CC1	2221014036	PUKRXEDZPAPODF-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(N)CC1(C)CC2(CCC2)C1	2221016135	LCYINROSFBWLFX-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2C[C@H]3CCCC[C@@H]3C2=O)C1	2221075045	BRYBGIWWLKWSDO-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@@H](C)Oc1cc(C)cc(C=O)c1	2221589638	FPONCDNUJDFMDA-CQSZACIVSA-N	248.366	4.545	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@]2(C)CC=C(C)CC2)C1	2221598717	CKHMCTZXVSXLRV-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCCCc1nccn1[C@H]1CCC12CCCCC2	2221799642	AVWYZDLCJOZSSC-AWEZNQCLSA-N	246.398	4.511	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H]1CCC[C@@H](C(C)(C)C)C1	2222268211	SRWUMQXBDVHFKX-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
NC1(CCCCCCCC2CC2)CC(C2CC2)C1	2223112770	ICXNHNUCJSZOLU-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)C1C[C@@H]2C[C@H]2C1	2223117298	JXKNVJTVNICONR-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](C)CCC(C)(C)C	2244806493	LSJCRHPJUXDDLW-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC1(C)C)C(C)(CC)CC	2247441469	OTPGOXBYTUSTFY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1=CCCCC1	2247460238	ZMGVRMXBUYNPQH-HNNXBMFYSA-N	236.399	4.908	0	10	BJAE	
CCC(CC)CCNC(C(C)(C)C)C(C)(C)C	2247757724	RFZRAQMWECCKFC-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CCCCC[C@@H]1C[C@H]1C	2248873445	UZSQLRHIIDMSDH-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@]1(C)C[C@H]1C	2250480916	JFCHGJUNAAARGQ-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(N)CC=CCC1	2250518399	SAMNXVJVSLWOBG-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)CC2=CCCC2)C1	2251533146	BJUYLCOMZOLQQW-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccc2ccsc2c1	2253062701	RVYIJMQOCLZLDY-IAQYHMDHSA-N	248.391	4.761	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](N)CC[C@@H]1CCCCC12CC2	2253854877	MNLZAOJCVXCSRV-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(CN)CCC23CCC3)C1	2253915302	FAYXRTWHTUHPCP-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H](CC=C[C@]2(C)CNC(C)(C)C2)C1	2253933569	DKFAWJXGYWFROQ-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2Cc3ccccc3N2)C1	2253970700	MINIJXPSUJTPPC-IIAWOOMASA-N	243.394	4.630	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CCC12CCC2)C1CCCCC1	2254967947	ZDJRPRAHGZGMLP-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CCNC[C@@H]1CC[C@H](C)C[C@@H]1CC1=CCCCC1	2255095758	HITFPRKMVZORMU-BHYGNILZSA-N	249.442	4.539	0	10	BJAE	
CNCC1(CC[C@@H]2CCCC23CC3)CCCCC1	2255261440	OGVCQZVKXSCWTA-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC(C)C[C@]1(CC[C@H]2CCCC23CC3)CCCN1	2255324643	ZJUDKXSCLUGUER-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC=C1CCC[C@@H](CCN)C1	2257254557	HCJVHVZBAHEWKG-HYVNUMGLSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1CCC[C@H](Oc2cccc3c2CCCC3)C1	2257479449	KRKNYPKISFAOJI-HIFRSBDPSA-N	244.378	4.523	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCNc3ccc(F)cc32)C1	2261341069	YGQOWFSYXUBUGK-LBPRGKRZSA-N	247.357	4.551	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@]12CCCC[C@@H]1CC2	2298685692	QYQIJIWLEGSADL-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC1CC1)[C@@H]1CCCCCCCC[C@H]1O	2298917883	ULJZDUNJHNVEPF-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1CCCCC1(C)C	2300676368	NSTTWZHZXJFJTJ-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCC[C@H](C(C)C)C1	2300700703	NSKVVHDCXBSXFZ-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)cc(OCC2CCCCCC2)c1	2301148450	VDJRTUKOSFUTIU-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
C[C@@]1(C(=O)CC2CCCCCC2)C=CCCC1	2301244003	IFGREBMRBUYYDJ-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@H]1CC[C@@H]1C1CC1	2303010701	FUDQYOTVEKQYLR-GDBMZVCRSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1CC[C@H]1C(C)(C)C	2303473810	FAOGNYVMDKWDNK-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H]2CCC(C)(C)C2=O)CC1	2303528012	YNASJHJMDCCINO-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCCC(O)(CCC)C12CC(CC(C)C)(C1)C2	2304433607	DOXOCLBVAXXKFK-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C[C@@H](CC)CCC)C1	2307906117	BZSHXXUSTFZRSS-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCC[C@@H]1C(C)C	2307909927	WJFXXKZRIAXEKH-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CCCCc1ccc(N[C@H]2C[C@@H]3CCC[C@@H]32)cc1	2308106066	KVFJCLCKAOVEIC-XIRDDKMYSA-N	243.394	4.630	0	10	BJAE	
CC[C@](N)(C[C@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1	2309167297	XMTMXLURERASSP-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@@H](N)C[C@@H]1C=CCCCC1	2309889985	JTVHBDYWACRYST-TWMKSMIVSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2310895137	QKMCVMJADNHKMG-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC[C@@H]1C[C@H]1C1CC1	2311256022	BUTLRNGZVRSZLC-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2312465124	KJPBFZLNAODXON-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1C[C@@H]2CC[C@H]1C2	2312871424	UIZBLWKDWMPPTR-QLFBSQMISA-N	243.394	4.658	0	10	BJAE	
CCC(C)=CCNC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2316493253	XGWOQKVKHQROMT-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CC(C)=C[C@H](C)C1	2316504845	YBQDHNBJFNXJNN-BHYGNILZSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@H](CC)c1ccc(C[C@@H](C)CC)cc1	2317098500	BRZKFBSCNZIXPH-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CC(C)c1ccccc1CN[C@@H](C)[C@@H](C)C(C)C	2317657458	COZUCLWWNOMCNC-GJZGRUSLSA-N	247.426	4.580	0	10	BJAE	
Cc1cc(C)c([C@H](N)[C@H](C)[C@@H](C)C(C)C)cc1C	2317823360	IUJXFWYKEDXEQA-ZMSDIMECSA-N	247.426	4.540	0	10	BJAE	
CC(C)Oc1ccccc1N[C@H](C)[C@@H](C)C(C)C	2317940187	IOYKLKAYAOMHEY-UONOGXRCSA-N	249.398	4.566	0	10	BJAE	
C[C@@H]1[C@H](Nc2cccc3ccccc23)CC1(C)C	2318173767	AIRCUJCULLMLME-MLGOLLRUSA-N	239.362	4.686	0	10	BJAE	
COC(C)(C)c1coc2c(C(C)C)ccc(C)c12	2318307492	HHMLSXQVFVCRKB-UHFFFAOYSA-N	246.350	4.746	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@H]1CCC=CCCC1	2318886229	USKYVFHLCMZBSU-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](NC[C@H](C)C2CCCCC2)CC1	2320238677	XGCROCKYECNIRU-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC[C@@H](O)c1ccccc1	2320244766	VBFMPXBKRXVBNZ-CWRNSKLLSA-N	246.394	4.573	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H]1CC[C@@H]1C(C)(C)C	2320255048	UCWRPXIKYOIVOU-GJZGRUSLSA-N	246.394	4.755	0	10	BJAE	
C[C@@H](N[C@@H](CC1CC1)C1CC1)C1(C)CCCCC1	2320521581	RJMMTQNBVDAMSU-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H](CC1CC1)C1CC1	2320523122	JTKDOBDTFOXRAK-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N[C@H](CC)C[C@@H](C)CC)cc1	21008769	AMHDAOUKXGXTSY-DZGCQCFKSA-N	233.399	4.876	0	10	BJAE	
CC[C@@H](C)c1ccc(NCc2ccc(C)o2)cc1	36953408	GQFOIUWQNPJGCE-GFCCVEGCSA-N	243.350	4.714	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)CCC(C)C	36974448	JHVYEZDYXYOCGD-AWEZNQCLSA-N	233.399	4.876	0	10	BJAE	
CN[C@H](CCC(C)C)c1cccc2ccccc12	54439067	OOKUEGVXTBOPMI-QGZVFWFLSA-N	241.378	4.537	0	10	BJAE	
CCCCC[C@@H](O)c1cccc(Cl)c1Cl	82679933	USOASCCQXCXOHH-LLVKDONJSA-N	247.165	4.607	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CCC(C)C)CC1	83437361	QUJCLOGKVBAIIL-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
Clc1ccc2cc(C3CCCCC3)[nH]c2c1	84039674	GJKXKIVPGNFJQN-UHFFFAOYSA-N	233.742	4.869	0	10	BJAE	
CCCc1ccc(NC2C[C@H](C)C[C@@H](C)C2)cc1	84462977	KHGBTOSLDQHTLF-ZIAGYGMSSA-N	245.410	4.876	0	10	BJAE	
CSc1ccccc1NC1C[C@H](C)C[C@@H](C)C1	84464413	MTTPNVRBWDKFSG-VXGBXAGGSA-N	249.423	4.645	0	10	BJAE	
CCC1CCC([C@H](O)CC2CCCCC2)CC1	87934136	CNIVAURCDFNQGT-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCC[C@H](C)CC2)c1	91510222	GPKRAXFJALJFJX-FZMZJTMJSA-N	235.346	4.515	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CCCC2(C)C)cc1	94302996	LICDOQBFXOOQMW-HNNXBMFYSA-N	245.410	4.975	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCCCC2(C)C)C1	94323400	CTNNSGFZEWQVHQ-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](c1cc(C)oc1C)C1CCCCCC1	110227170	NUWPPDYZXSIUGX-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
CCCC[C@H](CC)CC1(C(=O)O)CCCCC1	112874000	YPHPCRJLVPQYAG-ZDUSSCGKSA-N	240.387	4.628	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCCC1CCCCC1	125110675	ZEPVYTDQBDJSJR-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)COc1cc(C)ccc1C	130376994	WUQLUYWOADMVSN-OAHLLOKOSA-N	234.383	4.899	0	10	BJAE	
CCCc1cccc([C@@H](N)C(CCC)CCC)c1	131652646	SZWZECJOTAPLDV-KRWDZBQOSA-N	247.426	4.855	0	10	BJAE	
CCCCC[C@@H](NC)c1cccc(CC(C)C)c1	131834549	UOKDOEPMTREPRG-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCC(CC)(c1ccccc1)c1ncc(C)s1	132101010	JRAHGYPQVPPLJO-UHFFFAOYSA-N	245.391	4.558	0	10	BJAE	
CCCC[C@@H](N)c1c(CC)cc(CC)cc1CC	147890164	BBLUKHBLWIMREW-MRXNPFEDSA-N	247.426	4.564	0	10	BJAE	
C1CCC(C[C@@H]2CCCC[C@H]2CNC2CC2)CC1	155654416	QIRBCSWHVHHGMM-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H]1CCCCC[C@@H]1CNC1CC1	155835759	QPHQHTUCECANMQ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)c1cccc(C)c1C	162079210	SDRRFXGTSAWYQQ-DYVFJYSZSA-N	247.426	4.780	0	10	BJAE	
CCCC1CCC(N)(CCCC(C)C)CC1	165669557	GPBKZMKHOPABEY-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc(F)c2ccccc12	167194947	MZXYDIDRXPYBPD-NSHDSACASA-N	244.309	4.598	0	10	BJAE	
CC[C@H](C)C[C@H](O)c1ccc(C(C)(C)CC)cc1	167652530	RGELGCHIJKQMPK-BBRMVZONSA-N	248.410	4.844	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(O)C1CCCCCC1	167658633	JTFSKRULPDRXAW-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C(=O)C[C@@H](C)CC(C)(C)C)cs1	168466608	NCVAWEABMWRJNO-SNVBAGLBSA-N	238.396	4.702	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)c1cc(C)cc(C)c1	225416850	ZNIPXQUFNNHSJH-OIISXLGYSA-N	246.394	4.553	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CCC1CCCCC1	229339162	ZPZNMWDVYQTVPJ-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(N[C@H]2CCC23CCCCC3)c(C)c1	230159570	STQHMNOAJUMLNR-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCC2(CC)CC2)CC1	233417934	SJJAGKIFCFMOKY-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](NCC1(C)CCCCC1)c1ccccc1	233900751	MDIFAWHORVUIQS-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2cccc(F)c2C)C1	235407369	PWAOSWLQOALEGO-SMDDNHRTSA-N	247.357	4.538	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C1=CCCCCCC1	235821137	VLJDHFHHNUPDCM-QGZVFWFLSA-N	244.378	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC)C[C@H]1CCC(C)C	250882178	VCLPWVJABDFWEA-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](C)c1ccc(C)c(C)c1	251921682	QETFWINWZMGFTB-APHBMKBZSA-N	247.426	4.779	0	10	BJAE	
C[C@H](C[C@H](N)CCCC(C)(C)C)C(C)(C)C	300775297	AMCTVKASYFJXQU-CHWSQXEVSA-N	227.436	4.602	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](CCC2CCCC2)C1	304123829	DKOAZPVMMAPEGY-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CCCC(C)(C)C)C(=O)c1ccccc1	304135377	CJZHFPWSOQZBQB-ZDUSSCGKSA-N	232.367	4.722	0	10	BJAE	
CC[C@@](CN)(CCCC(C)(C)C)c1ccccc1	305931712	OXGZLSCISYNDLI-KRWDZBQOSA-N	247.426	4.510	0	10	BJAE	
CC1(c2ccc(Cl)c(Cl)c2)CCCC1	307020567	TZCSAIGSZHDTEN-UHFFFAOYSA-N	229.150	4.825	0	10	BJAE	
Fc1cc2ccc(Cl)c(C(F)F)c2s1	307106731	JZUHZKOFDVAEAE-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)c1ccc(C)c(C)c1	308003625	SXNFDLPMJRCZMC-RDJZCZTQSA-N	248.410	4.799	0	10	BJAE	
CN[C@@H]1CCCC[C@@H](CCC2CCCCC2)C1	310060104	CKOMYFHGAVXALA-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CC[C@H](C)C1CCCCC1)CC(C)C	310378460	AMOAIXZLAYZKDN-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(F)cc(C(=O)CC2CCC(C)CC2)c1	310926162	DFYLGDXWQZUUHA-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCCCCC1(CNC)CCCCCCC1	318007847	PQQLABAGHGQANQ-UHFFFAOYSA-N	239.447	4.907	0	10	BJAE	
C[C@H]1CCC[C@@]1(CNC1CC1)CC1CCCCC1	318746359	OFWFQEPCPFLXCJ-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@](C)(CC)C[C@@H](C)C1CCCCC1	379919792	QBVSOHJQTMNAMO-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc(F)c1NCC1CCCCCCC1	380562311	VOYTWBBEYQAJHD-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
C[C@H](C[C@@H](O)C1(C)CCCC1)C1CCCCC1	382420213	QSKXRCLXSWOXHR-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCCCCC(C)C)C(C)C	383365945	HVEUKXXVPXQYTR-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCC1CCC(CN)(CCC2=CCCCC2)CC1	384975847	PYIMHZWOMOAVCO-UHFFFAOYSA-N	249.442	4.812	0	10	BJAE	
Cc1c(F)cccc1NCC1(C)CCCCCC1	394615260	CXWJEEFFVVFUDW-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
Cc1ccc([C@H](C)NCCCC2CCCCC2)o1	395190134	YFKHFCPCYHWLDL-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
COc1csc2cc(C(F)F)cc(Cl)c12	396289443	KIIROWHDJZPERO-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCC[C@H](N[C@@H](C)c1ccccc1)[C@@H]1CC1(C)C	397597668	KUFAWCVJPGNJMZ-BPUTZDHNSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H](C)C2CCC2)C1	398673445	TVZCEMJXXWTZQV-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1CC2CCC1CC2)C1CC1	405895919	UFTDKRYCUGJCGZ-SSDMNJCBSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CCC(C)(C)C[C@H]1C	686307199	VXNOJGYYKNGDQM-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CSc1ccc(N[C@@H]2CCCCC[C@H]2C)cc1	691101837	JXVLSVXNFFZKDQ-IUODEOHRSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1cc(F)ccc1C	691142215	VFAKJBZFEDOUTL-HIFRSBDPSA-N	249.373	4.905	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)C1CC2(CCC2)C1	691890875	MGRNXFSWGDYDKB-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1CC2(CCC2)C1	691901165	HKZUBBUOSGMGCT-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
C1CCCC(CNC[C@H]2CCCC3(CC3)C2)CC1	695694780	RJTVBOXSJCKQKL-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CCc1ccccc1[C@@H](CCC(C)(C)CC)NC	696596515	ZABQATSGGMFZAK-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@H]1CCCC12CC2	706954848	KBEUFBFLAGVPRK-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]21)C1CCCCC1	707832304	GDGUFOKEDJPIFP-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)[C@H](C)CC(C)(C)C	708294747	DPHKTRQWNLKRSD-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](Cn1ccc2ccccc21)CC(C)(C)C	709178727	TWAOVDXGQWHNNQ-ZDUSSCGKSA-N	229.367	4.714	0	10	BJAE	
CC1CCC(CC(=O)[C@H](C)CC(C)(C)C)CC1	709263347	QDKQGRUTSDSJKZ-ROKHWSDSSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@H]1Nc1ccc(C2CCC2)cc1	709659796	YSPVIPYVAWKKRN-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCCC[C@H]2C2CC2)C1	710135065	CHOMGCUTVAGMOR-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCc1ccccc1[C@@H](O)C[C@H](CC)C(C)(C)C	711088772	VUCXJQOLUBCSIC-HOCLYGCPSA-N	248.410	4.745	0	10	BJAE	
C[C@@H](CCCC(=O)c1ccccc1)C(C)(C)C	711152687	CLIZNPMUKWOPSS-ZDUSSCGKSA-N	232.367	4.722	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cc(F)ccc1C	711302810	OLIXMSZEXABGDF-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CC(C)(C)CC[C@H]1C	713064026	GPVXIBGOOWMEFJ-RISCZKNCSA-N	249.373	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CC(C)(C)CC[C@H]1C	713075556	BJXAHZNNMRBAJS-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C[C@H](CC1CCCCCC1)NC	713125594	KWMCOURIBBGKOR-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H]1CCC[C@@H]1C	713221912	NDUVWZVZVAKKDD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(CCC(=O)CC(C)(C)C(C)C)cc1	713371723	RCZZLTQNGPJWOL-UHFFFAOYSA-N	246.394	4.569	0	10	BJAE	
C/C=C/[C@H](C)Cc1c(C)c(C)cc(C)c1C	714522044	QUSMGBZCNMZZAG-AEZGRPFRSA-N	216.368	4.675	0	10	BJAE	
C1CCCC(CNCCCCC2CC2)CCC1	716359739	XODPJILLJALJDP-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CCC(C)=C(C)C	718494070	MDFPJDZSFQXJPG-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CCSc1cccc([C@H](C)N)c1	718519687	GQSDZBNAPZBTTM-ZDUSSCGKSA-N	249.423	4.545	0	10	BJAE	
CCC(CC)C[C@]1(O)CCCCCC1(C)C	719262710	VRCUKGTYULFQMB-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@](CC)(CN)C1C[C@H](C)C[C@@H](C)C1	719378282	UGXPAAQVBSHFFD-IIAWOOMASA-N	239.447	4.604	0	10	BJAE	
CCSc1ccccc1NCCCCC1CC1	720180650	DUGDNNRCBGXCQJ-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H]2C[C@@H]2CC)CC1	723126056	CFDPFMKWQNYIGE-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
C=C/C=C\CCNC1CCC2(CCCCC2)CC1	1651489625	CLVYAXIWJZCKML-ARJAWSKDSA-N	247.426	4.601	0	10	BJAE	
CCC[C@@H](C)CCNC[C@@H]1CCCC(C)(C)C1	1663165266	OQGMVHIOZKKJDZ-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)N(C)CCC=Cc1ccccc1	1877171532	IWPJQVBKPGPRNN-INIZCTEOSA-N	245.410	4.600	0	10	BJAE	
CCC(CC)CC[C@H]1CCCCCC[C@@H]1N	1900695521	GYDSOWXUSYKQFC-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1ccc(Cl)c(F)c1	1901626477	PPCAHTXDZWYIHL-ZJUUUORDSA-N	243.753	4.572	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@H]1CC(C)C	1902381390	MXGIYCUAWWGINM-QWHCGFSZSA-N	237.412	4.547	0	10	BJAE	
CCC[C@@H](CC)C[C@](O)(CC)c1ccsc1	1905370218	XVXZRKVNKPKJFN-TZMCWYRMSA-N	240.412	4.562	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CCC1CCCC1	1905433440	UZYKVPFYNGJZSI-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
O=C1CCCCCCCC[C@H]1CC1CC=CC1	1913424265	RNLWCEOFBRVNKR-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
Cc1ccc([C@@](C)(O)C[C@@H](C)CC(C)C)c(C)c1	1919912966	CDURELFQODKTAV-YOEHRIQHSA-N	248.410	4.583	0	10	BJAE	
CCC1CCC([C@@](O)(CC)C[C@@H](C)CC)CC1	1919962548	VCYGNIMQPROXQW-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
CC1CCC(C[C@H](N)[C@H]2CCCC23CCC3)CC1	1921587285	VJBICDYCRBRUST-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H](O)[C@H](C)C1CCCC1)CC(C)(C)C	1923890793	UXAYVQCHAMCWAG-NFAWXSAZSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@H](C)C1CCCCC1	1924129396	FGLASQABRQBZLS-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2C=CCCCC2)cc1C	1925760121	HQLRULQSIXRVIY-HNNXBMFYSA-N	242.362	4.623	0	10	BJAE	
CCCC[C@H](CCC1(C)CCCCC1)NC	1939122452	MDKLPXHTKCFDIK-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC(C)CCCC(=O)[C@@]12CCCC[C@@H]1CCC2	1944221917	LSQUZIFIUIFRQU-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)C[C@H](NC)C(C)(C)C1CCCC1	1944633361	ZINOTRFMIPGGCG-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)CCC1CCCC1	1944639032	AUEXGDRSZZLXPA-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@]1(C[C@@H]2CCC[C@H]2C)CCCCCN1	1944838694	YZFOQUZRTYQNMD-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@@H]1CCC[C@H]1C)NC	1944845877	LCACCCKYFUUCRM-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)c2sccc2C2CC2)C1	1945812939	XSANKVKKNGDILV-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1cccc2sccc12	1945947413	LNRMZHWOMLLGHG-BXUZGUMPSA-N	247.407	4.598	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	1948564792	VWGLRGLNGXZTFS-ARFHVFGLSA-N	231.383	4.636	0	10	BJAE	
CC1(C)C[C@H]1CC1(N)CCCCCCCCC1	1948991907	YPNQRJHAYNRMDU-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCNC[C@]1(C[C@H](C)CC)CCC[C@H](C)CC1	1950930586	PZJWZLVGYOJQCI-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](O)CCCC(C)(C)C	1950969910	CJXUGQACGJANRC-ZNMIVQPWSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CC[C@H]3CC[C@H]2C3)CC1	1967761427	CDDSJRXDSTZGGZ-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
Clc1ccc(NC[C@@H]2[C@H]3CCCCC[C@H]32)cc1	1968265361	JGARUGSFRBJSRW-FICVDOATSA-N	249.785	4.578	0	10	BJAE	
CSc1ccccc1N[C@H]1CCC2(CCC2)C1	1968327732	CHPVCMHGBZHKMR-LBPRGKRZSA-N	247.407	4.543	0	10	BJAE	
Cc1cc(F)ccc1NCC1CC(C(C)(C)C)C1	1968360946	BHSYLFXANZJBOL-UHFFFAOYSA-N	249.373	4.618	0	10	BJAE	
CC[C@]1(C)C[C@H]1N[C@H]1CCCC2(CCCCC2)C1	1973342031	MTYSKPBPXWOKRJ-ARFHVFGLSA-N	249.442	4.658	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CCCCC2)C1)[C@H]1C[C@H]1C	1973864353	VFWKUZYUGCNDEP-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1CCCCC1	1978452079	VOMZNUJBYXQZCK-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC=C(C)[C@H](NCCC)C(CCC)CCC	1983428796	MBPRZVLVQCKVOJ-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CC(=O)CC(C)(C)C1	1986218926	KCJVGCFVGMLOIB-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)C1(C)CCCC1	1987593531	MRHMMBGYFXXFSY-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C[C@@H](C)CC)NC	1995258255	CDKJIXCAFRMSII-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CCC2CCC2)CC1	1997104901	KZKXJVGRRUKEAG-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@@H]1CCC=CCCC1	2000002568	YYHVFVWOZMFFMT-XHSDSOJGSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@@H]2CCCC(C)(C)C2)C1	2000062659	NTTJOPCZWYEAFE-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCNCC(CC)(CC)C[C@@H]1CC=CCC1	2000499320	IYRGDCOIGWUVTK-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@]1(C)C=CCCC1	2003320582	IIJLNOKYYXIKKS-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC1(C(=O)[C@H]2CCC2(C)C)CCCCCCC1	2004936940	HPJDYWQIRQXFDR-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@@H]2C=CCCCC2)C1	2006660468	GZPKKGZCSQXPJO-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)C(C)(C)C1CCCCC1	2006724665	BQRJGUQCPXNBLA-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@H]1CCCC[C@@H](NCCC)C1	2009615718	BHEQCRGCIKKQKH-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@@H](C)[C@@H](NCCC)C1	2009615779	BWDHQQIKTJRJRG-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(O)C1=CC[C@@H](C(C)(C)C)CC1	2010724661	COVLFCLCFLXDPW-CJNGLKHVSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CC12CCC(CC1)C2	2012835503	DAHTWEARFGFVAC-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(N)CCC=C(C)C)C1	2016114530	IBMIIXMICXAFEP-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CC(C)C1(CC(=O)C2CCCCCC2)CCC1	2017125254	KWKBCXXQVJYEBI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)C1(CC(=O)[C@]2(C)C=CCCC2)CCC1	2017126506	BQGCNPDVZNYXSN-OAHLLOKOSA-N	234.383	4.518	0	10	BJAE	
CC[C@H]1CCC[C@@]1(N)CC1(C(C)(C)C)CCC1	2017139594	XCVTZZMTOVWKPI-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)C(C)=C(C)C	2017476900	CABZZOODRNYBFE-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CCC2(C)CC2)CC1	2017663032	NPDZLVIFWICYDG-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC(CC(CC)(CC)CN)CC1	2017726248	XTPWUTKVDLIWAD-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CCCCCC[C@@H](CC1(CC)CC1)NCCC	2018991615	WLDYXEPVSXMBOX-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC1CCC(N)(CC2(CCC)CC2)CC1	2019001022	ONOVUGAERAMCEC-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1CC[C@@H](CC)C1	2020966082	NNIAPPQPUJPHIO-KBMXLJTQSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1CCCC1(C)C	2020972111	QZFJNVZGWDRHBM-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNCCCCCCC(C)C	2022491772	DTNPQTZEAKWJLM-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC1(CCc2ccc3c(c2)CCCN3)CCCC1	2027305874	FFIDXMMCYDJHJP-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)c1ccccc1C(C)C	2027517138	DDGNTUGENCTHJU-RHSMWYFYSA-N	247.426	4.882	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC2CC2)CC=CC[C@H]1C	2027925565	GAIMAEXWLGVRMI-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H]([C@](C)(F)c2ccc(N)cc2)C[C@H]1C	2027935450	GZMOPGCATFUPGY-UNIGVISCSA-N	249.373	4.526	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1cccc(C2CC2)c1	2028551678	IQCKKMIBDPNVMB-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](c1ccccc1)C1CC1	2029967505	SMEIVRNMMPNNHR-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
C1CCCC(NC[C@]23CCCC[C@@H]2CCC3)CC1	2031755137	REMLQZBJRZAPEO-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)[C@@H]1CC12CCC2	2032131697	KVWJCODEAWBUEE-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](N)C(C)(C)C2CCCC2)cc1C	2032346128	KAXGAIHYDWAGPR-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1CNC2(CCCC2)[C@H]1CCC1CCCCC1	2033535020	MYFZNFCCDNCLDZ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1[C@@]1(N)CCCC[C@@H]1C1CCCCC1	2033629508	BLPDJGBTPQVQFM-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CC=C[C@H](C)N[C@H](C)c1ccc(CCCC)cc1	2034975669	ACOQJJAJFKDDCD-LSDHHAIUSA-N	245.410	4.644	0	10	BJAE	
CC1(C[C@]2(N)C[C@@H]3CCCC[C@]3(C)C2)CCCC1	2036661622	QVUPKPDDPUCHDX-USXIJHARSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC(C1CC1)C1CC1	2037189099	FXXXUXKHNZSYTM-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(CC1CCC=CCC1)[C@H]1CC1(C)C	2037206752	DOUHWYPOLMJHPE-RDJZCZTQSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc(C(=O)CC2CC(C)(C)C2)c1	2037980152	USOJBBVTKAWQEO-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCC1(CNC[C@@H]2CC23CCCCC3)CCCC1	2039058413	MPTKJRJPGACUIP-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCc1cccc(CC)c1NC[C@H]1CC[C@@H](C)C1	2040168078	DKZSRJPPEIQUJE-KGLIPLIRSA-N	245.410	4.660	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1ccccc1C(C)(C)C	2040317630	XFJLQJSAJUIVAK-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@@]2(N)CCCC3(CCCCC3)C2)C1	2040763832	VGLUUDQSMZUVHC-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)C1(C)CC=CC1	2042015780	DCNGUVKGRIRBJY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@H]1CCC=CCCC1	2045308818	XBCKNPJIBHEMER-IKGGRYGDSA-N	249.442	4.811	0	10	BJAE	
O[C@@]1(C[C@H]2CCC=CCCC2)CCCC12CCC2	2045345425	JJRJAMSOFKFBDG-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@@H](N)[C@H]2CCCC(C)(C)C2)c(C)c1	2045505279	MXNKSNXTKZMACE-HOCLYGCPSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CC(N)(C[C@H]2CC23CCCC3)CC1(C)C	2047055234	JHPOONNGXFVNEM-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@@H]2CCCCCC[C@H]21)C1CCC1	2047436771	GYYHOQFJBZALRK-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CN[C@@H]1CCCCC12CCCCC2)C1CC1	2047588170	XQLUFIHZNCIHGD-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@H]1CC=CCC1)[C@@H]1CCCC(C)(C)C1	2049490256	NGCZASVDXIQDJA-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](N(C)C[C@H]1CCC=CCCC1)C1(C)CCC1	2052322103	CBNRTWHOEPEELM-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1CCCCC12CC2	2053348503	XMWCTTIPIXYZKC-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC=C[C@H]1NC1CC(C)(C)C(C)(C)C1	2055525219	GVEKAGZKCMZLQV-CQSZACIVSA-N	249.442	4.536	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CC1CC2(CCC2)C1	2056448748	GTFXKKJUHKDSKX-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc([C@H](N)C2(C)CCC(C)(C)CC2)c1	2056556888	NMZLXRBPNKBYFS-HNNXBMFYSA-N	245.410	4.601	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C=C1CCCCC1	2056872406	CJEGZAVMFJPPSV-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C(C)C)CC1)C1(C)CC1	2061087586	GWCYYYACJDTYIU-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](CC)CC1)C1CCCC1	2061098913	LVPFRKUJVXELND-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)C2=CCC(C)(C)CC2)C1	2061116146	NHCGZPYWFBILSU-YSVLISHTSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C(=O)CCC[C@@]23CCC[C@H]2C3)cc1	2061596146	KMMVPBATQDNICR-DOTOQJQBSA-N	242.362	4.538	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC[C@@]12CCC[C@H]1C2	2061625543	FCGQNMSHGZORFP-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC(CC)CC)CC1CC(=C2CC2)C1	2061730785	MFVPVPVTITXEBA-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
N[C@]1(CCC2=CCCCC2)CCCCCC12CC2	2062008599	GHICFILMPQJLBG-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
C/C=C/CCCN[C@@H](C)c1ccc(C(C)C)cc1	2062371936	KPFWQFWASQCTAY-NFAHFFEMSA-N	245.410	4.817	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCC12CCCC1CCC2	2063900959	SUYJUGKCYBOHPF-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(CC23CCC(CC2)C3)CC1	2065337651	BQSSCWJXHPZKLA-OTBWCIGPSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](CC)c1ccccc1	2065990768	QUUDPFDWOVWPIE-DLBZAZTESA-N	247.426	4.942	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)C2(C)CCCC2)c(C)c1	2067507712	DXTWABFNMUJXLP-OAHLLOKOSA-N	245.410	4.993	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](O)c1ccccc1C(C)(C)C	2068816496	BHILSHHGKDDGKU-BBRMVZONSA-N	248.410	4.700	0	10	BJAE	
CCC1(C[C@](O)(c2ccccc2)C(C)C)CCC1	2069283344	CZDYMMFNGVVCND-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@]23CCC[C@H]2C3)CC1	2070913396	VNAATJMNGUULCJ-SUMWQHHRSA-N	248.410	4.742	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C[C@@]2(C)C[C@@H]2C)cc1	2070955952	RUBHPSLUNMCHCY-SUMWQHHRSA-N	244.378	4.504	0	10	BJAE	
CNCC1(C[C@@]23CCC[C@@H]2C3)CCCCCCC1	2070959051	NGGRGFBMQICEOL-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)CCC1	2071914346	BZGVPUBYWPLUDC-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(C[C@]2(CN)CC23CCC3)CC1	2072806598	NKNZRYVPGFTUEN-VMBOVVBDSA-N	249.442	4.502	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC(C)=C[C@@H]2N)CC1	2072806614	NNCGYKPHWFADSL-GQGLESIBSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@@H](CC)n1ccc2c1CCCC2=O	2073421269	YRJJEYALBKBYOT-CYBMUJFWSA-N	247.382	4.539	0	10	BJAE	
CCCC1([C@H](C[C@@]23CCCC[C@H]2C3)NC)CCC1	2074018789	AYLJDKZHYJIIGX-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCCN1[C@H]1CCC12CCCCC2	2075010210	HKIKBJXWRGRNHZ-HOTGVXAUSA-N	249.442	4.610	0	10	BJAE	
CN(C1CC(CC(C)(C)C)C1)[C@@H]1C=CCCCC1	2075409805	UFOPTLHIJZSCAQ-HWOWSKLDSA-N	249.442	4.632	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNc1ccccc1C1CCC1	2077262423	UDTGBBWHAOPFGG-HIFRSBDPSA-N	243.394	4.802	0	10	BJAE	
CCCCCc1ccc(C(=O)C2CC(C)(C)C2)o1	2077987202	RSBJKGLUTKWMFF-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](NCC)C1=CCC(C)(C)CC1	2079442763	KKNCMRQGPGXOEB-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)C2(C3CCC3)CC2)C1	2082981093	AQXRVALFVXHZCA-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1cc(C)cc(C)c1	2086054953	XAWFPNGJGARABQ-DYVFJYSZSA-N	247.426	4.910	0	10	BJAE	
CC[C@H](Nc1cc(C)c(Cl)cc1F)C(C)C	2210736526	GOBHNPKWTKFYTE-LBPRGKRZSA-N	243.753	4.634	0	10	BJAE	
CC(C)CCCCCN(C)CCCCC1CC1	2213529729	ALVSCBYLIQTUDQ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC(C)C[C@H](C(=O)CCCCC1CC1)C(C)C	2214551071	CBLFQFMFVRHSJF-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@@H]1CC[C@H]1C	2215103203	YJFRYNZEBMBDRW-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC1(O)CCCCCCCC1	2215253253	RKNUMQNCXNQQDW-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(CCCC2CC2)C1	2216259119	SHISFGOGZLFFBZ-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(N)(CCCCC(F)F)CC(C)C	2216432518	DXVKJUZYICWERU-UHFFFAOYSA-N	249.389	4.602	0	10	BJAE	
CC[C@@H](C)NC[C@H](C1CCCCC1)C(C)(C)C	2217125600	QPLYGIKAIAFEKU-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@]1(CN[C@H](C)CC)CCCC1(C)C	2217155937	GWUREVSPDWVRME-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1C[C@H]2CC[C@H](C2)C1	2218754441	MSTUKQRDPLSBMP-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)C2=CCCCCCC2)CC1	2221627680	VOHZIHHFGCZNLL-IAGOWNOFSA-N	247.426	4.731	0	10	BJAE	
C[C@@H]1C(=O)CC[C@@H]1C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222970633	DDRWULHRCYQNGI-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(=CCCCCCCC2CC2)CCN1	2223119859	GGDPRYBHLNMLSI-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1ccc(C2CCC2)cc1	2223682158	XOXQMJUTJIKQIL-OLZOCXBDSA-N	244.378	4.819	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)c1ccc2occc2c1	2224139811	OVJJWCDKJDPSCC-AWEZNQCLSA-N	246.350	4.539	0	10	BJAE	
C(=Cc1ccccc1)CCc1ccc2c(c1)CCC2	2226204662	YRCMXXWWSWOTOZ-UHFFFAOYSA-N	248.369	4.821	0	10	BJAE	
CCCC[C@](O)(CC)CCCC[C@@H]1C[C@@H]1C	2243032820	CCFWAYKNGFLESM-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
Cc1scc(C(=O)C[C@@H]2CCC23CCC3)c1C	2246415930	KEBSMHLSIAJLCG-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@H]1CCCCC12CC2	2246614964	PSVVKTSQMPXHPT-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(=O)[C@@H](CC[C@H]1CCCCC12CC2)C(C)C	2246636094	CQNSYOORJGNOEL-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
C[C@H]([C@@H](N)CC[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	2246659843	LFYACRMUXXEJOU-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@]1(O)CCCCC1(C)C	2247123842	YKXDTSWREBDUOW-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H](C)[C@@H]1CC12CCC2	2248264535	FOSLYVPWSGKSSU-AAEUAGOBSA-N	249.785	4.639	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)CC1(C)CC1	2250479604	WQUGDFUYTVSZPT-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C(=O)[C@]23CCCC[C@@H]2CC3)c(C)s1	2251128090	PEVJZLUUVWKODC-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@]12CCC[C@@H]1CC2	2251168283	UUYMWNOLDGLOLF-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCC1(CC)CCN1CC[C@H]1CCCCC12CC2	2253856521	QERBJLHWLGSUMA-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCCCC12CC2)CC1CC1	2253865190	OQJIPGKFYKVLRJ-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC2=CCCCC2)[C@@H]1CC	2255094811	CNEBTHYDWFGJED-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCC1CC1)CC[C@H]1CCCC12CC2	2255251857	SRDUKTVDEMDYTB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](C)(CC[C@@H]1CCCC12CC2)CNC1CC1	2255259068	MOEBJFAWVLWLEU-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@]1(CN)CC[C@@H]1CCCC12CC2	2255262408	WFWCGEXSYSPVRL-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1C[C@H]2C[C@H]1C[C@H]2N	2259614733	OPWDQKOKOUIEHL-QSPRXWTASA-N	249.442	4.523	0	10	BJAE	
Cc1cccc(F)c1NC[C@]12CCCC[C@H]1CC2	2260584864	XLKGDQRKRRQSFE-XJKSGUPXSA-N	247.357	4.516	0	10	BJAE	
CCCN[C@@H](CCC1CC(C)C1)C[C@@H]1C=CCC1	2261487988	BDQDEVAMRYWXCX-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H](C)CC1CCC1	2298930260	JRUDNGYNWMTNKY-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1C=CCCC1(C)C	2300501884	SPKICDLYQKPHCM-GJZGRUSLSA-N	237.431	4.536	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC[C@@]12CCC[C@@H]1C2	2300501933	TYTMVAQTOLVOEJ-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
Fc1ccc(C(F)F)c(CCC2CC=CC2)c1	2300648430	HNNOIRLAXAACAS-UHFFFAOYSA-N	240.268	4.662	0	10	BJAE	
CCCC1CC([C@H](CCC(CC)CC)NC)C1	2300684121	QQBBMOWUNYWFDD-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](N)c1c(C)cccc1C	2300684273	SAKFCDSTFVCUTR-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCC[C@H]1C1CC1	2300698616	ACHOAIIRLIMGEM-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CC(C)(C)CCC1(C)C	2300907359	RLOHNGGNNPEXAF-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CC(=CC[C@@H](C)[C@H](C)C(=O)O)CCCC(C)C	2300917736	DCSOMIKLAWDQDJ-KGLIPLIRSA-N	240.387	4.506	0	10	BJAE	
CC1(C)CCC[C@H]1[C@H](O)CC1CCCCCC1	2301135245	IFEYGFGFVXIRGN-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1CCCCCC1	2301237961	BJLPEEXLCMHIOM-HNNXBMFYSA-N	238.415	4.988	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)NC(C(C)(C)C)C(C)(C)C	2301836975	PZAJCXANIOQJAH-STQMWFEESA-N	241.463	4.717	0	10	BJAE	
O[C@H](CCCC1CCC1)CCC1=CCCCC1	2301935242	LESSAZCEOTWRPC-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(O)CCC(C)(C)C2)C1	2304359475	MEMUHKAFMLVQJX-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CC[C@H]1CCC(C)(C)C1)CC(C)(C)C	2304412551	UVWYDRYFGIQDAP-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC[C@@H]1CCC(C)(C)C1	2304420982	SDQSGFMIGUAMPO-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)CC[C@@H]1CCC(C)(C)C1	2304440048	OSGZGELHPDUREN-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H]1CC[C@H]1CC(C)C	2307752305	PWMXYTSEHUEBLS-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)CC1(N)CC2(CC(C)(C)C2)C1	2307818977	HCIXAWKINUPQDY-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1(C)CCCCCC1	2307830465	CGIBVFSQJUTUAF-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)C1CC2(CCC2)C1	2307870830	ANZOGGVSXUFEBD-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)C12CCC(CC1)CC2	2307925884	WFEROPAEXSJKQZ-HLIUYOAVSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC(C)(C)C)C[C@@H]1C	2307928222	IXHZXIBFQNVMDF-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCC=CCNC[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309183291	GMLFDMHTXQRQEK-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)C[C@@]23CCC[C@@H]2C3)C1	2310889919	WAJJHIMOYNBVKR-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)C[C@H]2CC[C@@H]3C[C@H]23)CC1	2311021286	MPRULLOFPJNSNS-SASFAUDUSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2C[C@H]2C2CCCC2)CCCC1	2311586403	JCYVDJAWVWTVCW-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)CC[C@@H]2CC[C@@H]21	2312596204	CVRPNHBLBHPCHX-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@@H]1C[C@@H]2CC[C@H]1C2	2312902544	FLOWCAOMFQZGHV-XUWVNRHRSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)[C@@]12CCC[C@@H]1CC2	2313308692	MMLNIFMOTRNPLV-LJIGWXMPSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C[C@@]12CCCC[C@@H]1CC2	2313315783	PMVZTHXQHOQXSJ-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)NC1C2(CCC2)C12CCC2	2313573096	YPKYQIHIOWWDMB-AWEZNQCLSA-N	249.442	4.514	0	10	BJAE	
CCC(C)=CCNC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2316493254	XGWOQKVKHQROMT-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC=CC[C@@H](NCCC)c1ccc(C(C)C)cc1	2316507697	DICHCSVVPMJJOJ-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CC(=CC[C@@]1(N)CC=CC[C@H]1C)CCCC(C)C	2316523409	UECYZIYGRBGMKV-SJORKVTESA-N	249.442	4.833	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1C[C@H]2CC[C@H](C1)C2	2316531481	FVWNZAJPKAELAA-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1C[C@@H]2CCCC[C@@H]21	2316534464	BZMPUJXTUWEODL-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)CCC1=CCCCC1	2317961678	GTLZJDIILXEUTE-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
CCCC1(CNCCCC2=CCCCC2)CCC1	2318523579	ZKKSWMFQNIZWDM-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CC1=CC[C@@](C)(CNC[C@H]2CCC(C)(C)C2)CC1	2319103042	YHZKFZDDNRFYBG-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)C2CCC3(CC2)CC3)C1	2319107564	DBKGTMBVJOQKCT-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCCCC[C@@H]2C)CC1	2320337624	OGFFOIMACWKURC-GVDBMIGSSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCCCN(C[C@H]2CCC(C)=C(C)C2)C1	2320393004	ATDQNPIZVWNJOZ-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
CCCCCCc1ccc([C@@H](O)C2(C)CC2)cc1	2327901177	YOTIRBLYKXRNKN-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1C[C@@H]1c1ccccc1	2328296428	ZMGZICURTFMZBV-BMFZPTHFSA-N	244.378	4.576	0	10	BJAE	
CC(C)[C@@H](C)N[C@@H](C)c1cccc2ccccc12	20559990	VFBDKLWPEMKSOD-KGLIPLIRSA-N	241.378	4.535	0	10	BJAE	
CCCC1CCC(Nc2ccc(C)cc2)CC1	21518878	HITFSUMTTCAABS-UHFFFAOYSA-N	231.383	4.766	0	10	BJAE	
CC[C@H](N[C@H](C)CCCC(C)C)c1ccco1	54083419	UYJHFEQLZQHIOE-KGLIPLIRSA-N	237.387	4.535	0	10	BJAE	
CC(C)/C=C\C1=CC2=C(C1)Cc1ccccc12	59606966	ICUCHTYRMWSOBE-FPLPWBNLSA-N	222.331	4.539	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1cc(C)ccc1C	68860523	FXJHHNFOQAHFBS-DOTOQJQBSA-N	248.410	4.943	0	10	BJAE	
CCC[C@H](CCCC1CCCCC1)NCC	70745665	KUVJHLGMFKMEKL-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](C)Nc1c(C)cccc1CC	71104508	NOBCPEYMOVBIMI-ZDUSSCGKSA-N	219.372	4.548	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CS[C@H](C)CC	83498327	VVGKDXACYIHUPQ-CHWSQXEVSA-N	244.444	4.694	0	10	BJAE	
CCC1CCC([C@@]2(O)CCCC[C@@H]2CC)CC1	85078105	AJKJFDSIRBULQQ-BHDPWAOGSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccsc2)CC1	85529069	MFUAQCMLLDSCJK-NWDGAFQWSA-N	223.385	4.519	0	10	BJAE	
CCCN[C@@H](c1cc(C)c(C)cc1C)C(C)(C)C	86494893	UNODLUAIKQKJLB-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCCS[C@@H]1C	94475400	PHBZOBDPTUGEMR-OCCSQVGLSA-N	249.423	4.506	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](CC)c1ccco1	103974431	MMWHCSGQTIIMAJ-KGLIPLIRSA-N	237.387	4.679	0	10	BJAE	
Cc1cc(C(=O)C[C@H](C)CC(C)(C)C)c(C)o1	103996085	JOELKWKLRCQJFX-JTQLQIEISA-N	236.355	4.542	0	10	BJAE	
CCC(CC)[C@@H](NCC(C)(C)C)c1ccccc1	109888164	IKEJWRRAIZLUOJ-MRXNPFEDSA-N	247.426	4.800	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CCC)C1CCCC1	133203069	GTWGDWYTTPSPGE-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCC(C)C)c1sccc1C	133468643	SBCKVDWEGVZFPX-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H](C)C[C@H]1CCCC[C@@H]1CNC(C)(C)C	155672428	URNNNZULUSXFSK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCCCC1(C(=O)O)CCCCCCC1	159172700	RGQIAMJDNPUNQL-UHFFFAOYSA-N	240.387	4.772	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@H]2C(C)C)c(F)c1	214483846	BMDIFJMUQPYWIH-ZFWWWQNUSA-N	249.373	4.761	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](O)CC1CCCCC1	226914348	SHWPUDCXXLFCCB-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCC[C@@H](CC)C1	226929052	NERYFJSDAOTHBB-ZNMIVQPWSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCC[C@@H](C(C)C)C2)c1	230995362	HBGSMBLFWIMHLV-HIFRSBDPSA-N	249.373	4.761	0	10	BJAE	
C/C(=C/Cl)CNc1ccccc1C(C)(C)C	231999862	GHYQXQAFRLUIJI-LUAWRHEFSA-N	237.774	4.539	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC1CCC1)NCC	232177875	FEUDZSGMWGBFTI-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(C(=O)[C@@H](C)c2ccccc2)CC1	232913921	PGHUMEXVYNFGIL-HLIUYOAVSA-N	244.378	4.576	0	10	BJAE	
Fc1ccc(Sc2ccccc2)cc1Cl	238587216	AOOBSNYEVDENAF-UHFFFAOYSA-N	238.714	4.630	0	10	BJAE	
CCCc1ccccc1N[C@@H]1C[C@H](C)CC[C@H]1C	249722782	LNAWMSLLIDSRKV-CKEIUWERSA-N	245.410	4.876	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](O)C2=CCCCCCC2)C1	300144258	XZSUMVRMMPZCCW-RRQGHBQHSA-N	248.410	4.620	0	10	BJAE	
Cc1cccc(N[C@H](C)C2CCCC2)c1Cl	300926143	VDTSOEYAFWEGAA-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CCC2CCCCC2)CC1	302237306	BCFIUJQFQTYACF-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
O[C@@H](CCC1CCCC1)c1ccccc1C1CC1	302263922	PILZWNSQJRPTDK-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)c1cc(C)c(C)cc1C	302429215	RXROBOGSCWRQSU-YVEFUNNKSA-N	247.426	4.699	0	10	BJAE	
CC(C)C(C(=O)CCCc1ccccc1)C(C)C	310699546	XTALZMWYJYXTIA-UHFFFAOYSA-N	246.394	4.507	0	10	BJAE	
CC(C)C(C(=O)c1ccsc1Cl)C(C)C	312580005	USLUPCQOLHRILQ-UHFFFAOYSA-N	244.787	4.512	0	10	BJAE	
C[C@H]1CC[C@@](CNC2CC2)(CC2(C)CCCC2)C1	319086195	SFXKIPBBACSUKF-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C(C)(C)C1CCC1	322528771	VZJMDPBCLDRRMA-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](N[C@@H](CC)c1cccc(C)c1)C1CC1	324087347	IVNADAZUGRZKGZ-IRXDYDNUSA-N	245.410	4.614	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(N)CCCC[C@H]1C(C)(C)C	383926789	RVWNCPJCCCASEW-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccccc1CCC	384523692	KRZGLUDLZDIBDI-ZDUSSCGKSA-N	232.367	4.648	0	10	BJAE	
CC(C)(C)C[C@](C)(O)c1cccc2ccsc12	384527362	CBPAJVGQQBDHLB-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C[C@H](C)c1ccccc1	385291183	ZUDYTWLWVLKBQB-YQQAZPJKSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@@H](c1ccco1)[C@H]1CC[C@H](CC)CC1	394112047	CAKXICLMMXXLKC-IIAWOOMASA-N	249.398	4.537	0	10	BJAE	
C/C=C\CNC1CCCCCCCCCCC1	394947118	FVLMGEUTNOSKAL-IHWYPQMZSA-N	237.431	4.825	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(OC)cc1C	395237567	SEHHVZYIPQGRJH-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CC[C@@H](Nc1ccccc1SC)[C@H]1CC1(C)C	397627097	UJBSYKHVLKPMLL-VXGBXAGGSA-N	249.423	4.645	0	10	BJAE	
CC(C)c1ccccc1OC[C@H](C)C1CCC1	398617067	CQGJKXBCNDPUQX-ZDUSSCGKSA-N	232.367	4.625	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@H](C)C2CCC2)c2ccccc2N1	398666407	QJEDUWSPRJCQMS-NFAWXSAZSA-N	243.394	4.801	0	10	BJAE	
O[C@H](CCC1CCC1)c1ccc2sccc2c1	398793708	QNVPFPAYRPXXST-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC(C)c1ccc(CC(=O)[C@@H](C)C(C)(C)C)cc1	399198976	KNCCDHDZWYSJHN-CYBMUJFWSA-N	246.394	4.604	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@H](C)c1ccccc1	400981912	SAIOLNYRIYOEIA-GFCCVEGCSA-N	246.737	4.788	0	10	BJAE	
CC(C)=C/C=C/c1c(C)cc(C)cc1C	504760184	WUUUHDXQOKQOMO-SOFGYWHQSA-N	200.325	4.591	0	10	BJAE	
C[C@H](Nc1c(Cl)cccc1Cl)C(C)(C)C	686232727	XUDNDUGMPCJMSR-QMMMGPOBSA-N	246.181	4.840	0	10	BJAE	
CCC(CC)[C@H](O)C1CC(C)(C)CC(C)(C)C1	688321044	ZNFWBQFJTAHDPL-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CCCC[C@H]2C)c1	688971076	KCYJCHWNRJKYTQ-CJNGLKHVSA-N	244.378	4.819	0	10	BJAE	
c1ccc(-c2cccc(N[C@@H]3CC[C@H]4C[C@H]43)c2)cc1	689642742	KIMVDLGHZJPMIK-CGTJXYLNSA-N	249.357	4.564	0	10	BJAE	
CCC(CC)C(=O)c1cc2cscc2s1	694363025	WXVFIXDBHRCANW-UHFFFAOYSA-N	238.377	4.582	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](C)c1ccc(C)cc1	695062510	REDXSIRKNHSHHN-DOTOQJQBSA-N	247.426	4.513	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCC[C@H]1C1CC1	695810419	MYFWICWWUVXHGO-JYJNAYRXSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1CCCC2(CC2)C1	696647064	RIQOASDVAPJQAL-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CNC[C@@H](CCC(C)(C)C)C1CCCCCC1	696848638	DSGRECTXTLRMOP-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cc(C)c(Cl)s1	697286377	JAMNUEXNPOEIRI-SECBINFHSA-N	246.803	4.570	0	10	BJAE	
CC(C)(C)CCC[C@H]1C[C@@H](C(C)(C)C)CCN1	699566276	UALMGSFDAPXFKD-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)NC1C(C)(C)CCC1(C)C	699593100	NKFQTQPTNGGQBN-CYBMUJFWSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H](C1CCC(C)(C)CC1)C(C)(C)CC	701099184	JFDRHVZFSXUABW-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C1CCCCCCC1	701118318	LNRYYVSRALWGDO-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H]1[C@@H]2CCCC[C@@H]2C12CCCCCC2	701901244	JKKFMSUPIJYCDI-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)CCCC(C)(C)C	704469918	CISZGUGNDSPXCH-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@@H]1CCCC12CC2	706252831	HQGXACISTAHOIE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H](C)CC(C)(C)C	709129988	NVRRCNJFCPCPIF-SOUVJXGZSA-N	241.463	4.993	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@H](C)CC1CCC1	710275519	IWZHVNCBNDUNEX-CQSZACIVSA-N	239.447	4.616	0	10	BJAE	
C[C@H](C[C@]1(O)CCC12CCCCC2)C(C)(C)C	710703681	PZYSCOJISLHRBU-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@@H](C)C(C)(C)C	710721558	UVTMUTVJVUFOOS-CQSZACIVSA-N	241.463	4.848	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](C[C@H](CC)C(C)(C)C)NC	711176887	FALKJIDEDDVLEL-ZQDZILKHSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC1CCC(C)(C)CC1	711289902	TXYVXFJHSIQWBM-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1cc2ccccc2o1	711301406	WOOUGXTYXOKMSS-CYBMUJFWSA-N	246.350	4.683	0	10	BJAE	
C=C/C=C/CCC1(CN)CC(C)(C)CC(C)(C)C1	713683750	ZKZCOVANOGAOGI-BQYQJAHWSA-N	249.442	4.690	0	10	BJAE	
C/C=C/[C@@H](C)Cc1cc(Cl)ccc1Cl	714535575	IOENIGMDJCPHIP-CDAZIORVSA-N	229.150	4.748	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C1CCCC1	718649360	DQNFRGFVZWFPSM-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1ccc([C@@H]2C[C@H]2C)o1	718683723	DIRMFESLUKOLNO-MCIONIFRSA-N	248.366	4.573	0	10	BJAE	
CC(C)=C(C)CCc1ccc(F)c(Cl)c1	718712626	XCMZYCOQECPFIG-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H](CC)C(C)C	720942260	YCXUPQHMOFCQPB-JKSUJKDBSA-N	239.447	4.760	0	10	BJAE	
C1CCCC([C@@H]2CCNC23CCCCC3)CCC1	721085589	AWXBRAYVEILQIU-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CCCCC1(F)F	721733107	XMCUPDIKKOUXTM-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCCC1CCC(N)(C[C@H]2CC2(C)C)CC1	722679682	KDAXOROGNPILHO-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1NC1CC2(CCC2)C1	829310499	QLNSTWRELDMOAI-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CCCCCCN(CC(C)C)c1ccccc1	1170127697	KRWJRAMMIXVWQO-UHFFFAOYSA-N	233.399	4.729	0	10	BJAE	
Cc1cc(O)cc(-c2ccc3ccsc3c2)c1	1206234191	MMRJZEYXFUPUJB-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CC(C)CCN(C[C@H](C)CC(C)(C)C)C1CC1	1459305895	FJYLFDPUPGBMJF-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](C)Sc1nc(-c2ccccc2)co1	1559404706	CXMJJXUCMBZBKH-LLVKDONJSA-N	247.363	4.622	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]3CC[C@H](C3)C2)CCCCCC1	1662055874	OZBVAPJFZFPFKV-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)[C@@H](CCC(CC)CC)NCC	1900701740	GOWPOMOKOZLFGY-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@](N)(CC)CCC(CC)CC	1900714610	WSNBSOMMWFCPKP-HNNXBMFYSA-N	227.436	4.891	0	10	BJAE	
CCN[C@@H](CCCC=C(C)CC)C(C)(C)C	1900875250	OCQVADZAJHHBKL-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC(=CC[C@@H](O)CC(C)C)CCCC(C)C	1900906877	VZIZEXLCJDWRFM-OAHLLOKOSA-N	226.404	4.556	0	10	BJAE	
CCc1cscc1N[C@H]1CC(C)(C)C[C@@H]1C	1902391343	SLLICIIDCNHDMF-JQWIXIFHSA-N	237.412	4.547	0	10	BJAE	
C=CC=CCC[C@@]1(CNC(C)(C)C)CCC[C@@H]1C	1911928361	XUHBCKNHEBQDDT-RDJZCZTQSA-N	249.442	4.703	0	10	BJAE	
CC=CC[C@H](C)c1ccc(CCC)s1	1912102101	RAYRWLGFVBCTPD-NSHDSACASA-N	208.370	4.770	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1N	1916018329	BYSVRYXIZMVDMC-IBEHDNSVSA-N	239.447	4.602	0	10	BJAE	
CCCNCC1(C(CC)CC)CC(CCC)C1	1921292051	KRXJQQJPAHGRGM-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCCCC(C)(C)CNCC[C@H]1CC1(C)C	1921559991	ZZIWWLZPEKWIBS-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@H]1CCCC12CCC2	1921628639	AGKMDIOHPOFWCJ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)C1CCCCCC1)C1CCCCC1	1924098937	IHNBVBQBDTYXBY-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C1=C[C@@H](Cc2cccc3cnccc23)CCCC1	1925830444	QBJPNLJUQVDOSI-CQSZACIVSA-N	237.346	4.524	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)CC(CC)CC	1926152844	NSLQVWBAQNQJMO-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
Cc1ccsc1C(=O)CC1(C)CCCCC1	1935606155	QPZKBGCFKLAJCP-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CC(C)(C)CCCNC1CC2(CCCCC2)C1	1941797560	BSVRLDBYPISAPV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC1CCC=CCC1	1941824724	BTCUJDJNVRMXQO-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)CC1CCCCCC1	1942652008	CMZZAYUOYUDXDJ-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@@H](C)CC[C@@H](N)c1ccccc1	1942662200	PJMSZVDOFFBMMJ-GDBMZVCRSA-N	233.399	4.539	0	10	BJAE	
CC[C@@H](Nc1ccccc1C1(C)CC1)C(C)C	1944595904	IMQIIDQEGBXGOL-CQSZACIVSA-N	231.383	4.585	0	10	BJAE	
CCCC[C@H](NCC)C(C)(C)C1CCCCC1	1944633348	ZCRNZCDNSCRQGJ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC1(NCCCC2CCCCC2)CCC1	1945283277	UZRGMHCQRJMJNA-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCCCC[C@H](C)NCCC1(C)CCCCC1	1945432746	RWYOIKWPJDAHHI-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCC(CC)(CC)CNC1CC2(CCCC2)C1	1948476728	XEJRPMLKTCWTRO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC)CC1CCC(CC)CC1	1948863571	MIIADNKZDPIRPB-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCC1(C[C@@]2(N)CCC(C)(C)C[C@H]2C)CCC1	1948981346	QBPOENPBHALMPE-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](O)C2(C)CCCCCC2)C1	1949401516	DGMSVTZBZJCWLF-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H]1CC[C@@H]1Nc1cccc(Cl)c1	1968259031	FKDPRGIYVKSORU-RISCZKNCSA-N	237.774	4.577	0	10	BJAE	
CC(C)[C@H](C)COc1ccccc1C(C)(C)C	1968366560	JANSZWUJAKNGIO-CYBMUJFWSA-N	234.383	4.655	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CCC[C@@H]1C	1968598408	XTCMGIDVKIEVLN-SWLSCSKDSA-N	231.383	4.719	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCCCC12CCC2	1968648916	RPCLIACESMGZAC-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CCCN(CC1(C)CCCCC1)C1CCCC1	1968778915	ILSSGTBDFLTNDV-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC[C@](O)(CCC(C)(C)C)C1CCCCC1	1975957448	KEJLZHSLHSIYGO-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1CCCC[C@H]1C	1978455810	OFFQAMBYPVXKSG-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCCCC1CC(O)(C(C)(CC)CC)C1	1984692154	KNLBOSCEOSSFNC-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC1(C)CCC1	1995253278	FREHSFMWPNXNEX-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CCC1(C)CC1	1995259138	KOHRGRDZHJMREW-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CC(C)Cc1csc([C@@H]2CCC[C@H](C)C2)n1	1995444116	HMNDFQKQVSSINO-NWDGAFQWSA-N	237.412	4.635	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@@H]1CC[C@H](C)C1	1996268259	JMSBVCSGMGIHJK-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC([C@](C)(O)CCC2CCC2)CC1	1996556238	WTYCLNMNGYPXHI-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@@H](O)[C@H]1CCC2(CCCC2)C1	1996612457	YIFCLVXRPXMIEV-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)CCC2(CCC2)C1	1998692588	DZZVZZIHYVDIHV-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CCCC(C)(F)F	2000196892	PBPLFHLNMDTCPO-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](CCC=C(C)C)NC	2000333159	NAGNWZMMNHUERP-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@H](NC)[C@H](C)CCC(C)C)CCC1	2000333694	PMFTVWWOOYQOLB-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1=CCCC1)c1sc(C)cc1C	2000370619	DMZAADLQWWZOCP-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CC[C@H](C)CCNC1CC2(CCCCCC2)C1	2000671734	YXURFULXOATHQH-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@H]1CC12CCCC2	2001254584	KFZACZXDLCFKJW-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC(=O)C[C@H](C(F)F)C(C)(C)C	2002435229	NAQNAOOCOFSVME-GFCCVEGCSA-N	248.357	4.699	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)[C@@H]1CCCC(C)(C)C1	2002981771	JCIFEMKZYCVXOC-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1CCCCCCC[C@H]1O	2003112726	XOEJBLDHSLLXCV-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC1([C@@H](O)CCCC2CC2)CCCCCCC1	2004922173	FDVGTHJVNSXEFG-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)CNCC1(C)CCCCCCC1	2004942755	WQSJMVQCNQXRMX-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@](CC)(CNCCC)C1CC=CC1	2005780434	AOFZNOYHLIAXOY-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](NCCC)C[C@H](C)C1	2006625478	XRVYLDQBNOUTAQ-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@@H]2CCC[C@H]2C)CC1	2006766675	PJRAIXIZALXVSM-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1C=CCCC1(C)C	2006900314	DNCDKBFAUMRLKI-CABCVRRESA-N	237.431	4.680	0	10	BJAE	
CC1CCC(C[C@H]2CC[C@@H](C)CCC2=O)CC1	2009411355	PJPRDVPKCWNORJ-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@](C)(N)C1CCC(C)(C)CC1	2009576806	JLYUOJYNIYZARF-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@H]1CCC(C)(C)CC[C@H]1NC	2009612602	XXQGAWVEQAROAK-ICWYTKJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(C)cc1F	2013264279	LWZWFMKJZAFWDV-CYBMUJFWSA-N	237.362	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)C1(C)CCCC1	2014337806	FKNJDROXXLFIGN-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C[C@@H](C[C@@H](C)C(C)C)NC)C(C)(C)C	2015289478	CAYXVBNCWBWAPT-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C1=CCC(C)(C)CC1	2016117185	LPCCVDUOWHZAHA-INIZCTEOSA-N	235.415	4.587	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(O)CCC=C(C)C)CC1	2016149594	KZCIMWLJDIIHTK-ZBFHGGJFSA-N	236.399	4.620	0	10	BJAE	
CC1([C@H](N)CC2(C(C)(C)C)CCC2)CCCC1	2017122847	FTUMADWUGBBJLR-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](CNC)(CC(C)=C(C)C)C1	2017466916	QFRFVLVABWSBDX-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)C[C@H]1CC[C@H](C)CC1	2017724171	XBTRRVJGRABIOB-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@](O)(CC)C1=CCC(C)(C)CC1	2018130640	PDGYBUAOVDRPFJ-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCCCN(CC(C)C)CC(C)C	2019339628	CVRNXKXGXCUJFG-UHFFFAOYSA-N	241.463	4.817	0	10	BJAE	
CCc1ccc(N[C@@H]2C=CCCCC2)cc1Cl	2019511858	ZBMQQYFNPWRQHB-CYBMUJFWSA-N	249.785	4.813	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CNc1cccc2ccsc12	2022479628	DMWDVDVAPIDVNP-OLZOCXBDSA-N	245.391	4.605	0	10	BJAE	
CCCCN(CC=C1CCC1)C1CCCCC1	2023346902	WUPZBLHNROCPTG-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC(C)(C)C1)[C@@H](C)CC	2024094298	JDPOORSSOCOBEM-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H]1CC(C)(C)CC[C@@H]1O)CC(C)(C)C	2024145164	CVRVFWIKSADUNG-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)CC1CCCCC1	2028897211	KADZVQCJIYPIIE-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccccc1CC(C)C	2028918140	LSVOCVJCICMNHO-QGZVFWFLSA-N	248.410	4.745	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC2(C3CCCC3)CC2)CC1	2029738579	TYMOQJJWQPUXNC-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C[C@]2(N)CCCC3(CC3)C2)C[C@H](C)C1	2031819152	SLMLQDZMPMHEOZ-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C(C)(C)C2CCCC2)c1	2032300152	HSILRNPVFXZMRN-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C[C@@H]2CC2(C)C)cc1	2032422060	VQIFPHWTUUNJDK-OAHLLOKOSA-N	244.378	4.504	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1C[C@H]2CC[C@H](C1)C2	2033099816	NPJFGNSAEJNHBQ-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@@H]1[C@H]2CCCC[C@H]21	2033525004	RXHSLOIHGTXBAG-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CCN)CCc1ccc([C@H](C)CC)cc1	2034173233	ULNZHFPQYBWJDD-HUUCEWRRSA-N	247.426	4.508	0	10	BJAE	
CC(C)(C)NC[C@@]1(C[C@@H]2C=CCCC2)CC1(C)C	2035603882	XJNFDTRXXCTWAM-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C1=CCCCCCC1	2037074496	QCCYWRQYEYDANS-WBVHZDCISA-N	249.442	4.955	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)c1ccc(C(C)C)cc1	2037146719	KKBITHFCZUGUAA-QGZVFWFLSA-N	245.410	4.730	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@]1(N)CCC12CCCCC2	2037178947	CZCDXWMFKJSAPJ-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC(=O)[C@H]([C@H]2CCC3(CCCC3)C2)[C@H](C)C1	2037681226	DOEXQSRKQVYNFC-FQLMCAECSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H]1C[C@@H](CC2CC=CC2)CCC1(C)C	2037873000	YQVAYMLEKJLOHD-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)C[C@@H]1C[C@H]2C[C@H]2C1	2045307025	GBWMXQNYTMENLC-JONQDZQNSA-N	246.394	4.518	0	10	BJAE	
C1CCC(N(CCC2CC2)C2CCCCC2)CC1	2046578061	XUSSPAMWQHBKRW-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
C[C@@H](C[C@@H]1[C@H]2CCCCC[C@H]21)c1ccc(N)cc1	2048489198	WKDBHGZJMZTCQF-KKBVYLPWSA-N	243.394	4.589	0	10	BJAE	
CC(C)(C)C1CC(C(=O)[C@@H]2CCCC3(CC3)C2)C1	2048617114	QYAOUMOYFNGZTI-IYXRBSQSSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@](N)(C[C@H]2CCCC3(CC3)C2)CC[C@H]1C	2049856196	OAHQJNQTUSKAQC-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@@]1(C)C=CCCC1	2049999010	AOLHZNLESQLTKI-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)c1ccc(C)cc1	2050428113	UOVSWCAYMGRKQE-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@H]2CCC[C@@H](C)C2)cc1	2050465729	UZVBKWZALQTIKZ-CABCVRRESA-N	244.378	4.784	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC[C@H]2CC[C@@H]21	2052310631	ZYWPKSNCQBXPQO-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
F[C@@H]1CCCC[C@@H]1Nc1ccc(C2CCC2)cc1	2055147725	QOBUILQNZFHUMI-CVEARBPZSA-N	247.357	4.647	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)c1ccccc1C(C)(C)C	2055228612	QPZZBGMVANAGKH-STQMWFEESA-N	244.378	4.603	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@H]2C=CCCC2)[C@H]1C	2055616822	UJUZULFVSJNADL-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
FCc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)cc1	2055666963	GUKJISOHGHEIFM-CWRNSKLLSA-N	247.357	4.537	0	10	BJAE	
FCc1ccc(N[C@H]2CCC23CCCCC3)cc1	2055669598	MLKGDMSGWBMIPR-HNNXBMFYSA-N	247.357	4.681	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C=C1CCCCC1	2056920137	OMCRSDVCBSGDJL-YOEHRIQHSA-N	247.426	4.731	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](C)CC[C@H]1CNC1CC1	2059247813	VOCHWSQOSBRZKY-OUUQNZETSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(NC2CCC(C3CCC3)CC2)C1	2059393192	BSEVTSCDXBYVMC-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H]1NCC[C@@]12CCCC21CCCCC1	2059463992	MIIAOMJEDMVBKT-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC=C([C@]2(O)CCC23CCCCC3)CC1	2061094694	IDTRUHPTYRCRIG-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(F)c2ccc(N)cc2)CC1	2061146177	FGZOEEGEUJYPPX-MLGOLLRUSA-N	247.357	4.590	0	10	BJAE	
C/C=C/CCCN[C@H]1CC[C@H](C)c2ccccc21	2062371792	JJEMTQQIRNKINL-JNPAJOFYSA-N	243.394	4.571	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNc1cccc2ccccc12	2062653866	WGXVTVXMYBFBPU-UKRRQHHQSA-N	239.362	4.688	0	10	BJAE	
CC1(C[C@@H](N)CC23CCC(CC2)CC3)CCCC1	2065303459	RKFNDULVZPBUEC-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C)c1cccc(C)c1	2065990595	PBXPBCQCYAEAHS-WBVHZDCISA-N	247.426	4.860	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H]2C=C(C)CCC2)CC1	2072803978	NOOGRERUORXZEU-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)C=CC[C@H](C)C2)CC1	2072876256	YFUXJULHSGPMMA-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C[C@]12CCCC[C@@H]1C2)C1CCCCCC1	2074029851	QCLHRRGWILCBBR-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)c2ccccc2C(C)C)CC1	2074571223	JZCRBDQTRGDYKP-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCC1(C[C@@H](O)c2ccc(C(C)(C)C)cc2)CC1	2074616168	HANGBTBGBOWPHD-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CCC1(C[C@H](NC)c2ccc(C(C)C)cc2)CC1	2074641671	LJBCJBONHDYTKF-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCc1ccc(N(C)[C@@H]2CCCC[C@H]2CC)cc1	2074898299	BSTFHLZSCCZNBY-NVXWUHKLSA-N	245.410	4.654	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCCC2)CCCC[C@H]1C	2075372780	JPIVCJZPWSGRLA-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2C[C@@H]2C2CC2)CC1	2079331146	BZCRECIKEVVKOE-DISOXQEGSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1c(C)c(C)cc(C)c1C	2079471890	BWROPDSHGMPXLW-GJZGRUSLSA-N	244.378	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2C[C@H]2C2CCCCC2)CC1	2079533411	WTDPSUSYXKTLKW-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](NCC)[C@]1(C)CC=CCC1	2079623912	AQWQMYXQLGRFMC-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
Cc1c(C(C)C)nn([C@@H](C)C(C)(C)C)c1Cl	2079771633	OJSIFFCPBUJCPN-JTQLQIEISA-N	242.794	4.575	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C[C@H]1C1CCCCC1)C1CC1	2079830671	DLQSKXYKLWNYAV-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H]2C[C@@H]2C2CCCC2)C1	2079845579	ZAXCTFVBGSLUII-HCEZTOJASA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1C[C@H]1c1ccccc1	2079860111	CSDJFEAEFYADPN-HOCLYGCPSA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC1(N)CCC2(CCC2)CC1	2079886919	RQWLKHABUAJWTC-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C=C1CCC1)C(C)(C)C1CCCCC1	2080242262	OZIPRKORGGCZTM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C)CC=C2CCC2)CC1	2081803790	CSZAXERQYGVFRH-JCNLHEQBSA-N	249.442	4.635	0	10	BJAE	
COc1ccc2c(C3CCCCC3)coc2c1F	2086721373	YWFQQZZFLMJDCJ-UHFFFAOYSA-N	248.297	4.628	0	10	BJAE	
Fc1cccc(Cl)c1C/C=C/c1ccccc1	2213825822	ZAIROJMSJCWDRN-XBXARRHUSA-N	246.712	4.735	0	10	BJAE	
CCCC[C@](CC)(CCCCC1CC1)CNC	2214571440	YCJAMMRKDIVOJG-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCCC1CCC(N)(C[C@H]2CC[C@@H]2C)CC1	2215097495	HIPAEUJRNHKAGZ-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@H](C)CCC(C)C)CC1	2215824715	WOLAWPSARPRHLN-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](CC(C)C)NCC)CC1	2216286651	WXTWGAXDEZMWPS-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(=O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216747147	KYKGIVAZPVPYSJ-RBSFLKMASA-N	236.399	4.598	0	10	BJAE	
CC(C)=CC[C@H]1CCCN(CC2CCCCC2)C1	2218143495	IIDZPOKYXUYGEF-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)C1C[C@H]2CCC[C@H](C1)C2	2218349268	FWIAJQIQVCMSCW-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2(C)CC3(CCC3)C2)C1	2221002201	KBFXXZOQMPQAOT-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@@H](N)CC2(C)CC(C)(C)C2)cc1C	2221028846	UGASCPQUQQUFFN-HNNXBMFYSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@@]1(C)CC=C(C)CC1	2221615693	MHPAZLBZYORZDP-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCNC[C@@]1(CC2(C)CCCC2)CC=C(C)CC1	2221664435	MSCJEMJHZNMIJL-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2CC=C(C)CC2)CC1	2221667626	MALDLGPNODXNRK-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](CN[C@@H]2CCCCCC2(C)C)CC1	2221668627	PXMVJHWAWGCUIU-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)C1(C)CCCCCC1	2222011131	IXINNMIXDAXHEM-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CC(=CCCCCCCC1CC1)[C@H]1CC[C@@H](N)C1	2223109273	IQKLUKZWSCVEGF-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CCCCC[C@](O)(CC)c1ccc2occc2c1	2224130252	DAHOLNFCNJAFSQ-MRXNPFEDSA-N	246.350	4.611	0	10	BJAE	
CC[C@@H](CC[C@H](C)CCCC(C)C)C(C)=O	2244851436	KWNMSZMZDPFJPW-HIFRSBDPSA-N	226.404	4.844	0	10	BJAE	
CC(C)C[C@@](C)(O)CC[C@H]1CCCCC12CC2	2246635383	XARGVALMPREEKW-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCCCC[C@@H]1C[C@@H]1C)C(C)C	2248807180	IYCLDNKKCXYJQJ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](N)CCCCC[C@@H]2C[C@@H]2C)CC1	2248822367	SULGUXFRTKTUBL-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)NCCCCC[C@H]1C[C@@H]1C	2248869050	FQFUCFWSVPAWAV-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
Cc1cscc1CNc1cc(C)c(C)c(C)c1	2249498945	OJDTYKUHUUXMKZ-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1C[C@@H]2CCC[C@H]2C1	2250354738	GIEBADNUAWCSAB-KKUMJFAQSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@@H](CC)CCC	2250372131	OMKQZWDALAFMHA-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H]1CCC12CCCCC2	2250377697	HDBAHQUPUPBVMY-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(N)C1CCC1	2250477462	XVIOHEOMWDCNMJ-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)C1CC(CC(C)(C)C)C1	2251545131	WUEYUYLZROPDQI-HSBZDZAISA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(CC2(C)CCC2)C1	2251659414	NEWVJHIEFCZCPL-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCc1ccccc1-c1ccccc1	2252638758	WQWLJVABAUVASD-UHFFFAOYSA-N	222.331	4.862	0	10	BJAE	
CCc1sc(-c2cccc(C)c2)nc1C1CC1	2252741364	VYBSAKQKEZVXEU-UHFFFAOYSA-N	243.375	4.558	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc2ccsc2c1	2253091977	DUSMBMMWXHTEQY-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
C[C@H](C[C@H](N)CC[C@@H]1CCCCC12CC2)C1CC1	2253807284	JTKQEVRPDNMQHC-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@@H]2C[C@H]2C)c(C)c1	2254586040	NXOWZIRIKOGWBV-FRFSOERESA-N	245.410	4.520	0	10	BJAE	
N[C@H](CCCCCC1CC1)C[C@H]1CCCC12CC2	2255222969	LFVPWQKBXGFRBW-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)C12CCC(CC1)C2	2257244974	GMODEKVWXNUOEJ-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
c1ccc2cc(N[C@]34CCC[C@H]3CC4)ccc2c1	2260529640	CEYBERWKOTUIBE-RDJZCZTQSA-N	237.346	4.584	0	10	BJAE	
CCCC1(C(=O)C[C@]23CCCC[C@@H]2CC3)CCC1	2260585304	ADKMRVYESRRVQC-RHSMWYFYSA-N	248.410	4.886	0	10	BJAE	
CC(C)CC(=O)Cc1cccc(C2CCCC2)c1	2260735580	MOSISIJEJCRNTE-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@@H]1C[C@H]1C(C)C	2297876907	ROJRDZFJMCBDHA-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC1CC1)C(C)(CC)CC	2298850270	LXSPEESBULLAMT-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@H](C)CC1CCC1)C(C)(C)CC	2298852202	QQLGUDVVENUVGP-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)[C@H](C)CC1CCC1	2298939887	QSVSXADXTGVNMX-BMFZPTHFSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@H]1CCC(C)(C)[C@H](NC)C1	2300689368	XIWDBMCQJVGPAR-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)C1(C)CC2(CCC2)C1	2300690586	KIWGSJRLNJZNED-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CN[C@@H](CCCC1CCCCCC1)C(C)(C)C	2301143925	YLFRCBGYISGOOH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@H]2CCC23CCC3)n1	2302269908	XSCZKIJZWDMVMR-GHMZBOCLSA-N	247.407	4.704	0	10	BJAE	
CC[C@@H]1CC[C@@](O)(CCCC2=CCCCC2)C1	2302325585	IRENKGSWAUCCJY-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC[C@@]1(C)CCCCN1)C1CCCCC1	2302539910	OUOQFOMFHRMRIO-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
Clc1ccc(NCC[C@@H]2CC[C@@H]2C2CC2)cc1	2303163125	YTQKGVOUXMVVDD-SWLSCSKDSA-N	249.785	4.578	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC[C@H]1C(C)(C)C	2303393299	PGMXAYVEOYBZOH-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
S=c1cc(CC2CCCC2)[nH]c2ccccc12	2304033750	VJEYZRAZGRTTPZ-UHFFFAOYSA-N	243.375	4.630	0	10	BJAE	
CC(C)=CCC[C@@H](N)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309182289	NWDJTJHPSXSKSI-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2C[C@@H]3CC[C@H]2C3)cc1	2312877498	LINRNMVYHFGVQL-VNQPRFMTSA-N	244.378	4.625	0	10	BJAE	
CC1(C)CCCCCN1C[C@@H]1CCC=CCCC1	2313614740	VDRQZGQOJVCGHC-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
C[C@@H](CC1CCC1)N1CC[C@@H](C)c2ccccc21	2313654526	KEWMUALQOMVIAQ-KGLIPLIRSA-N	243.394	4.579	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)c1cc(C)ccc1C	2316271687	TUSNZTOFJLOBOZ-QGZVFWFLSA-N	247.426	4.694	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1cc(C)ccc1F	2316501896	INELVCYJPXLURF-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CCCCC12CC2	2316541786	JSUIOBPEHOLZDX-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(=CC=C1CCCCC[C@@H]1N)CCCC(C)C	2316542659	SCUQZXFSUOHVTM-KRWDZBQOSA-N	249.442	4.977	0	10	BJAE	
CCC1([C@H](N)C[C@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316877550	GHUOCNVYKVWQBS-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H](C)CC1CCC1	2317975631	NDQGAPZSZUYPES-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](NCCCC2=CCCCC2)C1	2318530976	GTCREKXPRHXABS-QLPKVWCKSA-N	249.442	4.681	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1CC[C@H]2C[C@@H]2C1	2318581472	XAXAHTJJGVUHOV-ARFHVFGLSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc(C)c(NCC[C@@H]2CC[C@@H]2C2CC2)c1	2319751768	VCRSOEYGEWJHQG-JKSUJKDBSA-N	243.394	4.542	0	10	BJAE	
CC1=C(C)C[C@H](CNC[C@H]2CCC[C@@H](C)C2)CC1	2320267212	CIUHRPKPQNGABV-XOKHGSTOSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(C)c1NC[C@H]1CC[C@H]1C(C)(C)C	2320319841	IWABULGUTZIQLH-HUUCEWRRSA-N	245.410	4.788	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)CC2=CCCCC2)CC1	2320411313	IYTXSMPYINBVQB-QGZVFWFLSA-N	247.426	4.555	0	10	BJAE	
CCN[C@@H](CCC1CC1)C[C@@H]1CCC(C)=C(C)C1	2320424088	PZUWZBRPCYXEPV-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1(CCN[C@@H](CC2CC2)C2CC2)CCCCC1	2320699981	LGCUHRAZTLSVSP-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NCC[C@H]2CCC(C)(C)C2)c1C	2321599410	JTPSVVQQBSOSJD-OAHLLOKOSA-N	245.410	4.932	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@](N)(C2CCC2)C2CC2)C1	2321642692	QLBSQCBBKPOZCI-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
c1ccc2c(NC3CCCCCC3)cccc2c1	20544574	VISWQYYCCVWEAK-UHFFFAOYSA-N	239.362	4.975	0	10	BJAE	
CCCCc1ccc(N[C@H](C)[C@@H](C)CC)cc1	21796858	AHMDBUMSYPBZBH-UONOGXRCSA-N	233.399	4.876	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CCC(=O)C(C)(C)C	70740077	BEVRMTMPTBPGKL-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](CCCCC(C)(C)C)C(C)(C)C	70747409	BVZBPCRLTHJECM-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@@H]1CCC[C@@H](CC)C1	71157006	IWIMIGUGLOQQOC-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCC[C@H](CC)CC1	83520535	VZMWCYBJVXKEML-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCc1ccc([C@H](N)C2CCCCCCC2)cc1	86578751	LTXAQZLCXWGZIG-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCC1(C(=O)c2cc(C)c(F)c(C)c2)CCCC1	94899312	FUFALHVNYXNISU-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCCC[C@H](CC)C[C@@](O)(CC)c1ccccc1	103946043	QQJUDDBKHZFYPZ-RDJZCZTQSA-N	248.410	4.891	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1CCC(C)CC1	109710369	IIBOBQVHPDSFMO-SHARSMKWSA-N	238.415	4.988	0	10	BJAE	
Cc1ccc([C@H](O)C[C@H](C)CC(C)(C)C)cc1C	109781477	KKDVWROZKGDXER-BLLLJJGKSA-N	248.410	4.799	0	10	BJAE	
CCCCc1ccc2nc(Cl)c(CC)cc2c1	110312073	BCLLCWKHWKFZHQ-UHFFFAOYSA-N	247.769	4.793	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](CC)CC[C@@H]1NCC	110446018	CLNQNVUFNQWVKG-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)C1CCCCC1	121996751	RHDFQGBQIHGRSE-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
Cc1ccsc1-c1cccc(NC(C)C)c1	128638431	SPWLEVHALMOOMY-UHFFFAOYSA-N	231.364	4.544	0	10	BJAE	
CC[C@@H](C)c1csc(CSCC(C)C)n1	132233392	LJCAWALGIYVKIS-SNVBAGLBSA-N	243.441	4.546	0	10	BJAE	
CCC(CC)C[C@H](N)CCC1CCCCC1	133366017	BZNLMYXSTQKKGB-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CN[C@@H](CC1CCCC1)C[C@@H](C)CC(C)(C)C	162764007	AKUFKZIUJHJRMQ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)CC(C)(C)C	163106942	KBTUFSSOWKNXBH-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CC(C)(C)C	163107053	KBTUFSSOWKNXBH-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(F)c(C(=O)CC2CCCCCC2)c1	165348373	YXFHZBMUMYDKBQ-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CCCC(C)C)C1	165473494	PSTOZUKXDLBSBL-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCCC[C@@H]1C(C)(C)C	165574256	DGJNSNYCCKSAIZ-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@@H]1CCCCC1(C)C	226564304	IZVZIGQNKRWEEA-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H](C)C(C)(C)C)c2ccccc21	228954672	XFVWBHIUPRKUBM-IOASZLSFSA-N	245.410	4.649	0	10	BJAE	
Cc1cc(-c2ccccc2C2CCC2)ccc1O	229656179	PUWMJYRMQFUTRB-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
CCCCC[C@H](C)Nc1cc(F)cc(Cl)c1	229994225	TZMCKDGIBCXPSY-JTQLQIEISA-N	243.753	4.860	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCC23CCCCC3)c1	230163063	UIORICMXJUFEMC-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@@H](C)CC(C)C)c2c1	232621840	AYKFGTBTDGOEMV-LBPRGKRZSA-N	229.367	4.934	0	10	BJAE	
CCCCCC[C@H](C)NCC1(C)CCCCC1	232966820	HJNNCIWYECOMMH-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](CCC)Nc1ccc(C)cc1	238210531	HZYLQSYFBVBBEN-AWEZNQCLSA-N	219.372	4.766	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CN	250811471	HQHYFEIHCYFGEY-XHSDSOJGSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C[C@H](C)CC[C@H]1C	251281188	FCPDBJIULLPERS-LVQVYYBASA-N	240.431	4.780	0	10	BJAE	
C[C@@](F)(c1ccc(O)cc1)C1CCCCCC1	258294170	DFRVUSKZJULYEL-HNNXBMFYSA-N	236.330	4.547	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@H](C)CC(C)C	300836385	CPYOHACWDPTEJM-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@H](C)CCCC	300913894	KGSCKWBDTXTENP-QLFBSQMISA-N	228.420	4.780	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1cc(Cl)cs1	300980479	UCSGZJJICRDARO-MWLCHTKSSA-N	246.803	4.507	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)CCC1CCCC1	302255443	MMFAUXYJJYJQHB-RIYZIHGNSA-N	237.431	4.681	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@H](C)C(C)(C)C	305965790	PECFMHMYVMCNMG-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CCCC(C)C	308041249	AMFYZMQRDSOLEK-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1CCC(C)CC1	308053231	IHCZHOXIXDNZOD-NRXISQOPSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1C=CC(C)(C)C=C2[C@@H](CC[C@H]2C)C1	308729756	IGOFXNITIRXFNI-UPJWGTAASA-N	204.357	4.581	0	10	BJAE	
CCC[C@@H](CCC1CCC(C)(C)CC1)NCC	310101867	BSGPDIWFPONWFC-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC1(Cn2ccc3cc(Cl)ccc32)CCC1	310542767	UAXSSEYUBRKCMH-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCNC[C@]1(CCC2=CCCCC2)CC[C@H](C)C1	317105228	BQOJSAYQEJGKBI-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CC(C)NC[C@]1(CCC(C)(C)C)CCC[C@@H]1C	317524497	GFKPIQHOYMVPGF-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@]2(CNC3CC3)CCC[C@H]2C)CCC1	318665266	CLRFVZOCYQLLIY-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1ccc(C)c(C)c1)[C@@H](C)[C@H](C)CC	319950427	CDFHMPAZYQCQNL-PVUWLOKVSA-N	247.426	4.636	0	10	BJAE	
CCCCCC(=O)CC/C=C/c1ccccc1	323854857	ZHLFKXYWEYIPKD-XYOKQWHBSA-N	230.351	4.629	0	10	BJAE	
CCN[C@@H](CC(CC)CC)c1cc(C)cs1	379221284	PVTNNMPRGKVHGM-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)c1ccc2ccccc2c1	381074556	FCVYMACPBWSINM-DYVFJYSZSA-N	241.378	4.522	0	10	BJAE	
CC1(C[C@H](O)c2ccc(C3CC3)cc2)CCCC1	381428251	FULBZIZSYLADSR-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCCCCC[C@H](CC1(C)CCC1)NCCC	383679021	OGDULAREFPPSLU-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H](C)c2ccccc2)C1	385236924	UUVPDBLZLWOULA-FMKPAKJESA-N	244.378	4.576	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNCCC2=CCCCC2)C1	385264987	ZATNAXALIZAUPB-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C(C(C)C)C(C)C)cc1	385404219	OKATZSCZXWXOEK-QGZVFWFLSA-N	247.426	4.738	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1ccccc1C(C)C	393855085	RYKDCLMTRXGZNZ-CZUORRHYSA-N	234.383	4.526	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CCC2)C1CCCCCC1	394875422	WFSYHWHDFNELPQ-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCc1ccc(C)c2c(C(F)F)csc12	396213205	CLGFVUMSPWVNTI-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCC[C@H](N[C@H](C)c1ccccc1)[C@@H]1CC1(C)C	397597672	KUFAWCVJPGNJMZ-KBMXLJTQSA-N	245.410	4.552	0	10	BJAE	
CC(C)=CCCN[C@H]1CCC[C@@H](C(C)C)CC1	397651741	FLIINKOEZKDNQH-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc2cc(C(=O)[C@H](C)C(C)(C)C)oc12	399210278	PLHSRLLYCUZMCE-NSHDSACASA-N	244.334	4.606	0	10	BJAE	
CCC(C)(C)CCNCc1cc(C)c(C)cc1C	686311647	XGZPHHCYIMHFSH-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
CC(C)c1ccc([C@H](O)C2(C(C)C)CCC2)cc1	686922611	LZIKTLUIRDLHSP-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
C[C@H](Nc1ccc(C2CCC2)cc1)[C@H]1CC1(C)C	690100503	XZWOOLZRISWMPI-BLLLJJGKSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@H]2CC3CCC2CC3)CC1	691726742	GZJCJSYRLKLWGF-LKRQVQDUSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCC[C@H]1c1ccc2sccc2c1	691833179	GMZKBMFRLPOFKC-ZDUSSCGKSA-N	244.359	4.518	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCCC2(CC2)C1	695716041	IYOWLGJUFQKAQU-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](NCC[C@H](C)CC)c1ccccc1	696177193	SVNQBGBJZSUWAX-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
CCC(C)(C)CC[C@@H](C)C(=O)c1ccccc1	696735915	DMWSYSZWPGOZSY-CYBMUJFWSA-N	232.367	4.722	0	10	BJAE	
CC(C)C[C@@H](C)C1(N)CCC2(CCCC2)CC1	704446045	URGZOHCIIHCOPQ-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@]1(N)CC[C@H]2CCC[C@H]21)C1CCCCC1	707880671	POCPHOJRVFHZQE-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@H](C)[C@@]23CCCC[C@H]2C3)ccc1F	709121923	BIPPWNCVKKSRIA-WWGRRREGSA-N	247.357	4.515	0	10	BJAE	
Cc1csc([C@H](O)C[C@@H](C)CC(C)(C)C)c1	709169692	UZNQHVILMPZMEZ-ZYHUDNBSSA-N	240.412	4.552	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C12CCC(CC1)CC2	710094042	PEMFTZFZOSYYOG-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(C[C@H](C)C(C)(C)C)[C@@H]1CC1(C)C	710738321	PCNVXJZOQQRBTO-ZENOOKHLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)C[C@@H](C[C@@H](CC)C(C)(C)C)NC	711100447	ZALASPCFTFANAE-ZNMIVQPWSA-N	241.463	4.863	0	10	BJAE	
CCc1ccc(N[C@@H]2CC(C)(C)CC[C@@H]2C)cc1	713056015	BTXFIFBRWBTOSC-XJKSGUPXSA-N	245.410	4.876	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)CC(C)(C)CC	713159970	LILDWXGOCGAYGT-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@](N)(CC(C)(C)C(C)C)[C@@H]1CC1(C)C	713177026	XJWWIRMNYPOAAG-CZUORRHYSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CC(C)(C)C(C)C)c(C)c1	713242387	YGXLJGADJBZJLW-HNNXBMFYSA-N	247.426	4.684	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)CC[C@H]1CC(C)(C)C	713246083	DBBFOAIUTCNAKT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(C(=O)CC(C)(C)C(C)C)cc1	713318212	JVAVZTXOKGBCNG-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
C[C@H](CNC1(C2CCC2)CCC1)C1CCCCC1	717894600	XMBGFGUXZQSHMX-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)c1ccccc1F	718524871	GNQBYSDRTLYVAG-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC1CCCCC1	720940524	MSZZGEVGQCIHEU-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
CC[C@](O)(CCCC(F)F)CC1CCCCC1	720986372	DLBDNYDFBVUNAA-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
CC(C)c1cc(CC2CC2)cc(OC(C)(C)C)c1	725447140	WMAVBXJPMICZPZ-UHFFFAOYSA-N	246.394	4.940	0	10	BJAE	
Cc1occc1SC[C@@H]1CCCC[C@H]1C	1651920065	GRDRHVCYDVKMBC-PWSUYJOCSA-N	224.369	4.506	0	10	BJAE	
CC[C@H](C)CSCc1ccc(C)cc1Cl	1652723033	AXFXAKHPBQMFHP-JTQLQIEISA-N	242.815	4.928	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@]1(C)CCCCN1	1902204421	OIVAHZQSQPKTMA-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](CC)CN(C)CC(C)(CC)CC	1905318603	DZDUAIVELYUDPS-AWEZNQCLSA-N	227.436	4.571	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN(C)CC(CC)(CC)CC	1910863579	ZJCZKNCDQUPHKA-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
C=CC=CCC[C@@]1(CNC(C)C)CCCC[C@H]1C	1911904120	KVJNKAPYQHXAIZ-SJORKVTESA-N	249.442	4.703	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C1CC2(CCCC2)C1	1912644071	DFGFWMCGIDDIOR-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(NC2CC3(CCCCC3)C2)c1	1912707437	DQCDZGLODCQKHD-UHFFFAOYSA-N	243.394	4.828	0	10	BJAE	
C1CCCC(N[C@@H]2CCC3(CCCCC3)C2)CC1	1915863666	ANKOGQAPXYKSNA-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H](C)c1ccccc1	1919942921	HJPUQHFOWPKKBL-RDJZCZTQSA-N	248.410	4.902	0	10	BJAE	
CCCCCC[C@](C)(N)Cc1cc(C)ccc1C	1920185277	KKPIZSISQGQONK-KRWDZBQOSA-N	247.426	4.534	0	10	BJAE	
CC[C@](N)(CCCC(C)(C)C)c1cccs1	1920193990	NXAUGGOBSZUIJW-AWEZNQCLSA-N	239.428	4.529	0	10	BJAE	
CC(C)(C)CCC[C@](C)(CN)C1CCCCC1	1924101585	SQSKMFJVJOFTMU-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@H]1C=CCCCC1	1925783962	CACDUJUKOATPOZ-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CCC(CC)CCNc1c(F)cccc1Cl	1926156896	IYGPXKCYCMISRK-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
Nc1ccc(-c2sccc2C2CC2)c(Cl)c1	1938183541	ICTCUPKBHZNDEA-UHFFFAOYSA-N	249.766	4.528	0	10	BJAE	
CCCC[C@H](C[C@@H](C)[C@@H](C)CC)NCCC	1939110108	DJNFGCDMTWYQNO-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C=C(C)CNC(C)(C)C)C1	1940182673	ZWQXKHPEFMXKBJ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)[C@](C)(N)C1CCC(C(C)(C)C)CC1	1941144270	KTNKTGRWNWQVFE-WOICTCIZSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(CCCC2CCC2)C1	1941470541	RPKKQPTWEZYFDK-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCCCCCNC[C@]12CCCC[C@H]1CCC2	1944193528	DVPRCSROMFBTEP-JKSUJKDBSA-N	237.431	4.517	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@H]1C)C(C)(CC)CC	1944836993	PMNIDDWGNCGJJW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)C[C@@H]1CCC[C@@H]1C	1944850503	VHTHKKUZOKNTTL-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](NCCC1(C)CCCCC1)C1CCCC1	1945431570	CXTGHSOLBOKALX-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CC[C@H]2CC[C@H]1C2	1947123610	LTQJSQRVCYPAPB-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CC[C@H]2CC[C@H]1C2	1947124883	WPFSIFYLXXEMEK-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cc(C)c(Cl)s1	1960258957	NGEKVDJBSXGWDE-SNVBAGLBSA-N	245.819	4.536	0	10	BJAE	
CCCC[C@@H](CC)CN(CC)[C@@H](C)C1CCC1	1964258493	JKLBRCZJGXKQBN-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H](Nc1cc(F)ccc1C)C1CCCCC1	1968313256	ZHKPFQCSQOELFX-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
Cc1ccc(N[C@H](C)CCCC(C)C)c(F)c1	1968327165	UENOZEOSIRWOHS-CYBMUJFWSA-N	237.362	4.761	0	10	BJAE	
CCC[C@@H](C)CN1CCC(C)(C)CC(C)(C)C1	1973014181	KZZLLQBCMZNBPM-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H](NCC(C)(CC)CC)c1cccc(C)c1	1973315488	IUDAWCCQHYGEAU-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@@](C)(CNCC)C[C@@H](C)CCC	1978638437	LYCUFWSRQZIUDS-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CCCCC[C@@](N)(CC)CC[C@@H]1CC1(C)C	1990090393	BCHMIXQIRBFBTP-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@](N)(CC)c1c(C)csc1C	1990092822	DUKUPBYAEVYNEN-AWEZNQCLSA-N	239.428	4.509	0	10	BJAE	
CCCCC[C@@](N)(CC)CCCC1(C)CC1	1990099938	ZJSSBDYTOKRRJH-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CC[C@@H]1CC[C@@H](c2nc(CC(C)C)cs2)C1	1995443880	DXCDPPYCWXJAHJ-VXGBXAGGSA-N	237.412	4.635	0	10	BJAE	
CC1(C)CCC[C@@H]1c1nc(C2CCC2)cs1	1995471884	QGEXFWTVRIYVEW-LLVKDONJSA-N	235.396	4.704	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@@H]1CC[C@@H](C)C1	1996271931	SZHYGRFMFFYMNA-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCCC(C)(C)[C@H](CCCC(C)(F)F)NCC	1996612685	ZRILBMDENWZAGV-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
Cc1ccccc1OC[C@@H]1CCC=CCCC1	1999986458	UVPSUQVWZXWLCH-OAHLLOKOSA-N	230.351	4.510	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2C=CCCCC2)CCC1	2000189120	RAWPHGKSPNGBOQ-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC(C)CCCCCC(=O)C1(C(C)C)CCC1	2000192660	YHCZLTYGMVMYKN-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@](C)(CCCC1CC1)CNCCC	2000518364	NFDDGEDAYRVHMR-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(CC2(C)CCC2)CC1	2001136052	BRUNWDQWRLFHKQ-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC([C@@H](C)[C@@H](CCC)NC)CC1	2002921297	NHEPKWPPJJGXGB-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)C1CCCCCCC1	2003169842	MYFCQYYGHSYEGY-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CC(C)CC[C@](C)(O)CC1CCC2(CC1)CC2	2003191949	QVZJAAJXBYWRIB-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC1(CC(=O)[C@@]2(C)C=CCCC2)CCCCC1	2003336174	ZKKZJCHVIGGNLR-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H]1C[C@H](O)C[C@@H](CC2(C)CCCCC2)C1	2006657210	HDMNCYUKGJZLIX-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCCC[C@@H]2F)cc1	2006677524	NTFDUILMEPPPAG-GJZGRUSLSA-N	235.346	4.503	0	10	BJAE	
CCC1(CC)CC(N)(CCCCCC(C)C)C1	2009307099	WCKQGUMQFQOTAQ-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C(C)(C)C(C)(C)C	2009545348	YUUQGBCONWWQCD-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCCc1ccnc2ccccc12	2009589879	FBISWTOZSKIGCJ-NSCUHMNNSA-N	225.335	4.524	0	10	BJAE	
CCN[C@H](CCC(C)C)CC(C(C)C)C(C)C	2015291012	OVLIQSVRSOGNSZ-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)C[C@@H]1c2ccccc2NC[C@@H]1C	2015396640	FRFXIPYYUUJSDF-IPYPFGDCSA-N	231.383	4.514	0	10	BJAE	
CCC1(C[C@@]2(O)CCCCCC2(C)C)CCC1	2015593740	PNBCLWASAOBWCK-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C(C)(C)CCF	2016759642	MBPWITWNZUKBPN-ZIAGYGMSSA-N	245.426	4.567	0	10	BJAE	
CCC[C@](C)(CNC)CC1(C(C)(C)C)CCC1	2017145449	IPBSORGMKNTHBZ-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@](N)(CC)[C@@H]1CCCC(C)(C)C1	2018130042	MKXNFELZQJYGDI-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC1(C[C@](CC)(CNC(C)C)C(C)C)CC1	2018983920	BIGDIVGBNCIFTF-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@H](C)C1CCCC1	2019193047	VJORAEQGQOYLLA-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)CN(C)C1CC(C)(CC)C1	2019197044	WASBKDUQDSFJCL-FHERZECASA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CCC1=CCCCC1	2019783231	YNNGIILJNOXKJS-CVEARBPZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CCCCCC2CC2)[C@@H]1N	2020361351	OUFHVASVYAFLHS-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]1C1CCCCC1)c1cccs1	2022555146	VABBDPXKLQMSCK-QWHCGFSZSA-N	248.391	4.537	0	10	BJAE	
CC1(C)CC(=O)[C@H](CC2(C(C)(C)C)CCC2)C1	2023633109	SDIQCTFAADYYJQ-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@](C)(O)CC2CCC2)C1	2024129364	UYMQTDLFNUIEIC-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C)[C@H]1CCCC(C)C	2024511276	SQWZCKAJBAHRKS-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC[C@@H]1CC1(F)F	2026074467	MNBQYTJTLDUQKI-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@@H]1C)c1ccccc1C(C)C	2027517873	LRQZGRMHVVWGBU-GRDNDAEWSA-N	245.410	4.507	0	10	BJAE	
CC1(CCCN[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1	2027835139	ZFJJWSDJXOSTEI-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)[C@]23CCCC[C@@H]2CCC3)CCCC1	2031851928	OMHBEQRNBLYZFB-PBHICJAKSA-N	248.410	4.886	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H]1CCC12CCCCC2	2035421402	GRRBZTMMZLPIHM-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](NC[C@@H]2C=CCCC2)C1	2035567178	VMXXNQWPEPZNBX-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CCC[C@H]2CC2(C)C)C1	2037178903	CGGOVJOPZZDNHE-QCEMKRCNSA-N	249.442	4.523	0	10	BJAE	
N[C@@H](CCC1CCCC1)[C@@H]1CCC2(CCCC2)C1	2037692483	UHKCTEBTDXLWJR-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2CCC3(CC3)C2)CC1	2038581063	YJCUYZUPVAMZAR-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC2(CC(C(=O)C3CCCCCC3)C2)C1	2039418145	PJWSBHRURYEERT-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1	2040652162	XMTMXLURERASSP-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)c1ccc(C2CC2)cc1	2040722689	AVXCKVGSOUAHSG-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@]1(C)CC=CCC1	2042023704	DSWIQRUMVOTXEP-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H](C)CC2=CCCCC2)C1	2043190600	KDVADRGESVBWIR-BFYDXBDKSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CCC1)[C@H]1C=CCCC1	2043190962	MIMINUQOTOLOQS-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NCCCCCC1CC1)C1CC2(CCC2)C1	2043531707	PPUXOHXZAAWNEL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2CCC=CCCC2)C1	2045314052	GEUXFQRGMPZFQG-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c(C(=O)C2(C(C)C)CCC2)cc1C	2045571534	XDYFPQIYUYGURC-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@H]1CC12CCCC2	2047010075	SNFAUDYWGYILIN-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CC12CCCCC2)C1CCC1	2047054332	CQAVINJJAUZEBY-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CC1CCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047413670	SHLJOILEJVZJDG-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)CC1CCC2(CC1)CC2	2049858103	OHMCLVGANASSCI-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@H]2C[C@H]3C[C@H]3C2)CC1	2051594905	LFZOFGBYWBMHAI-QKDCVEJESA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCC(Nc2ncccc2C)CC1	2051659837	IYYHYLMVKFVHEY-UHFFFAOYSA-N	246.398	4.551	0	10	BJAE	
CC(C)NCC1([C@@H]2CCC[C@@H]2C)CCC=CCC1	2055274543	GZVGFTFOBUNLDH-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@]1(CNC(C)(C)C)CC=CCC1	2055301096	MPWSFLIMSIGQLZ-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H](C)c2cccc(C)c2)CCC1	2055543173	YBTRETHSVFBVPK-RDJZCZTQSA-N	243.394	4.535	0	10	BJAE	
CC1=C(C)[C@H](NC[C@H](C)C2CCCCC2)CCC1	2055551819	JIFCUKPCOSKCBK-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CCC2=CCCCC2)[C@H]1C	2055624881	NIBVQQRGWKGMNZ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@]1(C[C@@H]2CC23CCCCC3)CCCN1	2059467440	QNDQMJYJWFONFX-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
Cc1cccc(C(=O)CC2=CCC(C)(C)CC2)c1	2061186778	FGVGUPXTQMLRPJ-UHFFFAOYSA-N	242.362	4.704	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC[C@]12CCC[C@@H]1C2	2061621638	HEGXXWVUTQDDCO-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCCC1CC(=C2CC2)C1)C(C)C	2061742150	VAZDQRFXVZHXQF-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(C(=O)CCC[C@@H]2C[C@@H]2C)c(C)c1	2062637297	ILRSUNVEFKHQGC-SWLSCSKDSA-N	244.378	4.621	0	10	BJAE	
CCC1(C)CCC(N)(CC23CCC(CC2)C3)CC1	2065336080	XENQPEFVKSLEPG-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC2(CC3CC3)CCC2)C1	2069496964	WOTCUMRYBUKRQJ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCCCCc1ccc(SCC)cc1	2069540601	LAXCWFLBKSNRNH-UHFFFAOYSA-N	222.397	4.921	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@H]2CCC23CCC3)CCC1	2071916038	VFSJESWWXKRYHN-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@]23CCCC[C@@H]2C3)CC1	2072795109	ANMRLVKEHXBVGP-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CCOc1ccc(N[C@H](C)C(C)(C)CC)c(C)c1	2072834014	YKAHIPZTGBMKMI-CYBMUJFWSA-N	249.398	4.630	0	10	BJAE	
CCC1(C[C@]2(CNC3CC3)CCCC[C@H]2C)CC1	2074623983	MKMLYKCLZMKKNX-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@@H]1CCCCC[C@H]1C	2074791333	RDBPXKVZSSDZRX-HLLBOEOZSA-N	245.410	4.648	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C)[C@@H]2CC=CCC2)CC1	2075341805	QVKPUDIKRLFHTQ-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CCCCN(C[C@H]1CC12CCCCC2)C1CCC1	2076758897	XDMZAKKJHJOOPO-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C[C@](N)(C[C@@H]1C[C@H]1C1CCCCCC1)C1CCC1	2079816881	AZBRSLBLWLFJSB-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	2079862801	IBDCIPRGNNXSDX-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCCCC[C@H]1C	2081946828	LZBMGHBRKVDDAB-IUODEOHRSA-N	249.373	4.769	0	10	BJAE	
CCCN[C@H](C)c1ccc([C@@H]2C[C@@H]2C(C)C)cc1	2082715515	QHFCUNJCGZLDEN-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)CCC3(CCC3)C2)C1	2082976434	QOYNSGSZEIODEH-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](C=C[C@]2(C)CNC(C)(C)C2)C1	2082987418	QSWAOKBEWATITK-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CC[C@@H]2CCCNC23CCCC3)CC1	2083813519	COXSKAZIHHNYII-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCCCC[C@H](O)c1sc(C)c(C)c1C	2211701038	WQKHRHNGUBVCDI-ZDUSSCGKSA-N	240.412	4.677	0	10	BJAE	
CC(C)C[C@@H](C)CN(C)CCCCCC1CC1	2213532028	ORINPDCOGFOHQJ-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CN[C@@H](CCCCCCCC1CC1)CC(C)C	2213575153	CFILOCOVVISGLD-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@](N)(CCCCCCC2CC2)C1	2213577200	ZDQPPUXIIOVBNK-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCCN(CCCCC1CC1)C1CCCC1	2214551325	DPJCLKGKWDUZCW-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCCCC1CC(N)(CCCCC2CC2)C1	2214563147	ONZWPGGMAZOINW-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
O=C(CCCCC1CC1)C1CCCCCCC1	2214568830	JUMWZJOABXUGGD-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
Cc1cc(C(=O)CCCCCCC2CC2)oc1C	2218723118	DQEBUMPWMNPKGZ-UHFFFAOYSA-N	248.366	4.830	0	10	BJAE	
CN[C@H](CC1(C)CC(C)(C)C1)[C@]1(C)C=CCCC1	2221028669	RTRYYXBGYJOOOG-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@@]2(CN)CC=C(C)CC2)CC1	2221653467	IYKYMUKWIKVODY-OFLPRAFFSA-N	249.442	4.668	0	10	BJAE	
Cc1cc(C)c([C@](C)(O)[C@@H](C)CC(C)C)c(C)c1	2221991822	BDDIMGMHRAHJGH-DOTOQJQBSA-N	248.410	4.502	0	10	BJAE	
CCCN[C@@H](c1c(C)cccc1C)C1(C)CCC1	2222009397	PUZUNOZQJSTVGH-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C2CC3(CCC3)C2)C1	2222262901	WLIPUWUIEIISKV-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CCC2CCCC2)C=CCC1	2223544903	FHHCAVCPDPQNRA-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C[C@@H](O)CC1(C)CC(C)C1)C(C)(C)C	2246528508	ZUTDOLXXFIBBQE-IOSBVQAASA-N	240.431	4.636	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNC1(C)CCCCCC1	2247112707	BINFDIPMTFSLNZ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C[C@H]1CCC1(C)C	2247448317	SLXDUAZXDGLSRB-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
Cc1scc(C(=O)C[C@H]2CCCC23CC3)c1C	2247648975	WXJWCDTYSRIUTA-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@H](C)C(=O)CCCCC[C@@H]1C[C@H]1C	2248806353	KHMSAEXOEVEDNK-RRFJBIMHSA-N	238.415	4.988	0	10	BJAE	
CC[C@](N)(CCCCC[C@H]1C[C@@H]1C)CC1CC1	2248868088	ZFJDFWQBMHZCQS-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(NC2CCC=CCC2)cc(C)c1C	2249485976	IYXTUIQJHZACQG-UHFFFAOYSA-N	229.367	4.523	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2ccc(C3CCC3)s2)C1	2250280400	SSVRPBXCZBLOHW-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)CN[C@]1(C)CCCCC1(C)C	2250381107	LAAISCZSANMVFB-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1NCCC1=CC[C@@H](C)CCCC(C)C	2250515865	CVUJSJORBIAJQX-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@]12CCC[C@H]1CC2	2251217171	FSXXDAFHQZWYGA-HRCADAONSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@@H](N)CCC1CC(CC(C)(C)C)C1	2251501626	KKMLPQCHQYGCOH-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)C1CC(CC(C)(C)C)C1	2251532672	ZTVOYBKNIPDJBQ-URGYJCLVSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CCC1CC(C)C1	2251762383	BXMDAXXVAHCAQL-KNIAUWFNSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@H](C)CCC(C)C)CC2	2253871985	SRPXUPRUDDJHTJ-CJNGLKHVSA-N	245.410	4.794	0	10	BJAE	
Cc1cc(C(=O)CCCC[C@H]2C[C@H]2C)ccc1F	2254608186	JYGJTVVGNKERLO-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2CCC23CCC3)CC1	2254983206	ZFHYEOZKJZIGHN-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C[C@@H]1CCCC12CC2	2255231281	AXUQILJFMSEKLA-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CCCc1ccc([C@@H](N)C[C@@H](C)CC(C)C)cc1	2256293170	CKZMBNHHJBGOPW-YOEHRIQHSA-N	247.426	4.711	0	10	BJAE	
C[C@H]1CCC[C@@H](CCN(C)C2CCC=CCC2)C1	2257963915	QWBJQDMIHAUMQP-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CCCCCC[C@@H](CC[C@@H]1C[C@@H]1CC)NCC	2298127994	PPNXULCNFBSYRS-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC1CCC1)[C@](C)(N)CC1CCCCC1	2298927791	WMOKCGXOMZUWML-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC(C)(C)CC(F)F	2300507570	JVDQMEFMWYMOLM-AWEZNQCLSA-N	249.389	4.602	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](CCC(CC)CC)NCC	2300675191	BTVUKGXGFKTYBS-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@@H]1CC1(C)C	2300675508	FXSMFBKBWHVGJA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@@H](C)[C@H](C)C(C)C	2301962791	WLGLPBXEGKTEOA-QKPAOTATSA-N	241.463	4.704	0	10	BJAE	
Cc1ccc(C(F)(F)F)c(CCCC(C)C)c1	2302229080	OXTNNLLRGIFUPE-UHFFFAOYSA-N	244.300	4.993	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1c1nc([C@H]2CC2(C)C)cs1	2302256609	FFANJXUEJRJZOA-GRYCIOLGSA-N	249.423	4.950	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@H](C)CC(C)C	2302581242	ZELOQEBLRRRSCJ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@H]1CC[C@@H]1C(C)(C)C	2303503949	QLTDARPZMFFTJI-LJISPDSOSA-N	240.431	4.636	0	10	BJAE	
CC[C@@](CN)(C[C@@H]1CCC(C)=C(C)C1)C(C)C	2303515063	FHOJEDRCFCEIDV-CVEARBPZSA-N	237.431	4.524	0	10	BJAE	
CCCN[C@H](CC)c1cc(C)ccc1C(C)C	2307501650	SEQMIOPIOZTZCE-MRXNPFEDSA-N	233.399	4.569	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CC12CCC(CC1)C2	2307760011	CTGONIWMJAZVGL-VQCLRJIVSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CO)CCC=CCCC1	2307874075	GGTRXYOWFHXGME-HZPDHXFCSA-N	238.415	4.702	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@@H]1CCC[C@@H]2C[C@H]12	2309960455	NZMYYTPTPXNZDP-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC[C@H]1CCC[C@@H]2C[C@H]12	2310849222	YEGHXDYNETZQET-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C[C@@H]3CC[C@H]2C3)CCCCCC1	2312948459	VJSFCCNYJCUMLZ-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC1CCC1)C[C@@]12CCCC[C@@H]1CC2	2313346813	RVYSRSVHHGEPAG-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCC[C@@H]1C[C@H]1C	2315870048	JGAZTLGQNOIFFX-GDBMZVCRSA-N	245.410	4.967	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccncc1C(C)C	2316602981	OXHBALFYXHZGDR-UHFFFAOYSA-N	245.366	4.524	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](F)c1cccc2c1NCC2	2317995956	VNYCJPQOPSSUJH-HUBLWGQQSA-N	249.373	4.593	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC[C@H]3C[C@H]32)cc(C)c1C	2319324168	UMNBPWMTRZTFFN-USXIJHARSA-N	243.394	4.602	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(C[C@H]2CCC(C)=C(C)C2)C1	2320326128	CLLWJSJZWJDWEZ-IKGGRYGDSA-N	247.426	4.587	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1CC)[C@]1(C)CC=CCC1	2320381835	CMXYISJZIGYFAD-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C[C@@H]2CCC(C)=C(C)C2)C1	2320387639	IQPGPNQOFPRJFB-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC(C)=C(C)C1)[C@H]1C[C@@H]1C	2320396786	JVSHGAKTBKSHFX-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CCC[C@@H](C)C2)CC1	2320400408	YWFRGCIKJAITRA-WQVCFCJDSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC[C@](C)(N[C@@H](CC2CC2)C2CC2)C1	2320692465	OOQDCKWTKLKGMR-RDJZCZTQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(C[C@@](N)(CC2CC2)C2CC2)CC1	2320734494	FMNZVYYRWPBQJM-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
NCC1([C@@H](CC2CC2)C2CC2)CCCCCCC1	2320763000	UJXQTYVVICREIQ-INIZCTEOSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)C12CC(CC(C)C)(C1)C2	2321590342	RTZDODIOLYIQFP-ZGRYLRDCSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)c1ccc(C)cc1C	2328192331	BAJQNWLKSCPVAO-RDJZCZTQSA-N	247.426	4.694	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](NC)c1cccc(C)c1	2328293881	QTKHVYADNYEZEW-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CCC(C)(C)[C@H]1CCc2[nH]c3ccccc3c2C1	1461303	ZSHOFFAGADFNTF-LBPRGKRZSA-N	241.378	4.709	0	10	BJAE	
CCCCCCC(Cl)(Cl)C(F)(F)F	2530841	CEZRMSVSOBTCRX-UHFFFAOYSA-N	237.092	4.693	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)Nc2ccccc2F)c1	21517270	HRSLYZJKMMDEMB-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCC1CCC(N[C@H]2CCCC[C@H]2CC)CC1	35257206	DZGXJRLDVXYPAC-KNIAUWFNSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1)C1CCCCC1	35577209	NMLJKKSNJFAIJD-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CC(C)(C)c1ccccc1NCc1ccsc1	36956497	KTSYRASCJNPRAJ-UHFFFAOYSA-N	245.391	4.658	0	10	BJAE	
CCCN[C@@H](c1cc2ccccc2o1)C(C)(C)C	62797983	LVYONNJXURSSAT-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CC[C@H](NCC[C@@H]1CCC[C@H](C)C1)c1ccco1	70537340	XXALQYFOWSRINF-KKUMJFAQSA-N	249.398	4.537	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](C(C)C)CCC1=O	71083895	LFFZDASTPIJXEH-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CNc1c(C)ccc(Cl)c1C	83367716	NOYQWMVGKOLPKD-UHFFFAOYSA-N	239.790	4.805	0	10	BJAE	
CCc1ccc(O[C@@H]2CCC[C@H](CC)C2)cc1	85150833	QPVZQMZKQZJENE-GOEBONIOSA-N	232.367	4.597	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1Cc2ccccc2N1	86649796	UWOACFOIDXZCIP-ZFWWWQNUSA-N	231.383	4.630	0	10	BJAE	
CCC[C@@H](NCC)c1cc2cc(C)cc(C)c2o1	88074997	QIVPPNMIRAKUKZ-CQSZACIVSA-N	245.366	4.500	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](O)CCC(C)C)cc1	90484721	BYSUNYXSLALKJB-MRXNPFEDSA-N	248.410	4.844	0	10	BJAE	
CC[C@H]1CCC[C@H](Sc2cc(N)ccc2C)C1	91942163	LMOIUHOCYHUMAE-JSGCOSHPSA-N	249.423	4.638	0	10	BJAE	
CCN[C@H](C1=CCCC1)C1(CC(C)C)CCCC1	94900976	OZLFSGOGPUXHMH-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
O[C@H](CC1CC1)c1ccc(C2CCCCC2)cc1	109788409	GCLPOZAMUYCSNN-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCc1cccc(C)c1NC1[C@@H](C)CCC[C@H]1C	109900263	QNBSLHBAXHHHDP-OCZCAGDBSA-N	245.410	4.794	0	10	BJAE	
CC(C)CCCNc1ccc2ccccc2c1	110382009	HTRMSGCRXZKKNF-UHFFFAOYSA-N	227.351	4.688	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)c1sccc1C	126010063	PAIHHCAKMJUFGL-AAEUAGOBSA-N	239.428	4.533	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](C)c1cc(C)cc(C)c1	132614895	HOICIIAIHNMYTQ-GJZGRUSLSA-N	247.426	4.779	0	10	BJAE	
CCCCCC[C@@]1(O)CC[C@H](C)c2ccccc21	137030594	KWZSRXRQFOGHFG-WMLDXEAASA-N	246.394	4.742	0	10	BJAE	
CC(C)CNCC1(C2=CCCCC2)CC(C)(C)C1	161469852	DAKOGWCFZICASG-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C/C=C/CCN[C@H]1CCCC[C@@H]1C1CCCCC1	161674112	NCBBJNYRWHELEJ-JQBWTISXSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)CCC(C)(C)C)CC(C)(C)C	168125654	DEFNVMUSEUVGHV-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
CSc1ccc(N[C@H]2CC[C@@H](C)C[C@@H]2C)cc1	221618523	CEVCLCOFCBNBCA-XUJVJEKNSA-N	249.423	4.645	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@@H](CCCC(C)C)C1	221694261	BJUMLAGMFLDZHT-OWCLPIDISA-N	239.447	4.604	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCC[C@@H](C)CC1	226495662	WSNHXFFBHFDDHD-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1)C1(C)CCCCC1	233592157	NIQYMJZDDUBNIP-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H]1CCNc2ccccc21	233923887	JDQAXRLAXGMRBK-KFWWJZLASA-N	243.394	4.802	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC(C)(C)C(C)C)CC1	234067163	ZSIYDJAIDFNJBG-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C/C=C/C[C@@H](CC)c1ccc(Cl)s1	238272119	MDNHDWRHHQOJMM-HYYFJVDXSA-N	214.761	4.861	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1C[C@H](C)CC[C@H]1C	250437942	OHLYJIPSPIDBRZ-XJKCOSOUSA-N	245.410	4.794	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CS[C@H](C)C2)cc1	251311057	DOVRFPIUUHGCFK-YWPYICTPSA-N	249.423	4.506	0	10	BJAE	
CCSCc1csc2cccc(Cl)c12	258452664	DDDLOCDERZVJNX-UHFFFAOYSA-N	242.796	4.808	0	10	BJAE	
C[C@@H]1C[C@@H]([C@H]2CNc3ccccc32)CC(C)(C)C1	300243439	OCVUOFOTROYWLS-UMVBOHGHSA-N	243.394	4.658	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)C)[C@H](C)CCC	302415446	TUMVIXMABQYPNG-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@@H](C)CC(C)C	302529128	GEMRXQVCUQBDIG-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CNc1ccc(Cl)cc1F)C(C)(C)C	304331439	UKBQIQJSLHKLNW-SECBINFHSA-N	243.753	4.573	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(O)CCC(C)(C)C	304342647	FNVJAQLDEGOXCS-DZGCQCFKSA-N	228.420	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CCc3cc(N)ccc32)C1	310767980	OHXGRWRSGFEMGF-HZSPNIEDSA-N	243.394	4.515	0	10	BJAE	
CC(C)C1CC(N[C@H]2CCCC23CCCCC3)C1	312998848	AQNOPIHUDAZIQV-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC23CCCCC3)c1	313116142	OUISHEHKIHYTEY-INIZCTEOSA-N	243.394	4.910	0	10	BJAE	
CCCN[C@@H]([C@H](C)C(C)C)C1(C)CCCCC1	318885709	NFMSOIXHRGBQKL-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NCC)[C@@H](C)C(C)C	319495810	FLWXSEDHGNIMJT-XHSDSOJGSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](C)[C@H](C)n1ccc2ccc(Cl)cc21	319650688	RKUFMPOUDOWXCY-MNOVXSKESA-N	235.758	4.902	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](CC1CCCCCC1)NC	319987420	GAKMASBPIVVKNP-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C[C@H](C)CC(C)(C)C	320240000	WLSMQKOLIAPQGV-AVGNSLFASA-N	226.404	4.700	0	10	BJAE	
CCCC/C=C(/CCC)c1ccccc1O	383710282	IITZFEIGHACWFL-RAXLEYEMSA-N	218.340	4.766	0	10	BJAE	
CC1(C[C@H]2C[C@@H](C(C)(C)C)CCC2=O)CCC1	383931063	SPRKUQHQIMGWPU-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC/C=C\CN[C@@H]1CCC[C@@H](C(C)(C)C)CC1	384777279	SVFJBGHRLQEEJV-YOVCOIKASA-N	237.431	4.537	0	10	BJAE	
CCCc1ccc([C@@H](O)C(C)(C)C(C)(C)C)cc1	386197888	KWHXGVUIRQRUCX-OAHLLOKOSA-N	248.410	4.745	0	10	BJAE	
CCC(/C=C(/CNC1CC1)C(C)C)(CC)CC	395123811	MUAAUTFMNMPXEV-KAMYIIQDSA-N	237.431	4.537	0	10	BJAE	
Cc1c(C(F)(F)F)cc(S)c2ccsc12	396291706	BYHLRTVZOOYQOC-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCC1CCC1)NCC	398932618	RGPBZIHZUUNQKW-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)[C@H](C)C(C)(C)C)c1	399313502	NAQFRMNEHLLYAR-JTQLQIEISA-N	238.758	4.513	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1cc(C)cc(C)c1	401596510	WCRDOZRGUHHLJV-HOTGVXAUSA-N	245.410	4.932	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C[C@@H]1CC=CCC1	402336846	NJNLMAHFWGLAIY-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1	403392944	NMAYHXRMNAEYMF-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)c1ccc([C@H](N)CCCC2CC2)cc1	405881348	VIUFVZBZZQFERF-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
O[C@@H](CCCC1CC1)c1cccc2ccsc12	406043933	WBSISUCVUBNFKY-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CCSc1cccc(N[C@H]2CCC[C@@H]2CC)c1	689700986	DTVRVHWACOENGL-WFASDCNBSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(O)CC2CCCC2)C1	689766905	OATDRSDFKZLDRG-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H](C1CCC1)C1CC1	689779993	WSEOIMGSZAYLTE-GUYCJALGSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](Nc1cccc(C2CC2)c1)C1CCCCC1	690073590	CPBUBWLQUNGWSR-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
c1cc(N[C@@H]2CCCC23CCC3)cc(C2CC2)c1	690096586	VJMLCSYECOJSBE-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
CC1(C)CCC[C@H]1Nc1cccc(C2CC2)c1	690159102	LRZDSVAVUBSNKV-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCCCC[C@H]1C	691077518	HEKDOSVONFCODG-RISCZKNCSA-N	235.346	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1Nc1ccc(C2CC2)cc1	691091773	WSEACBQRIRBNAB-CXAGYDPISA-N	243.394	4.945	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1CC2(CCC2)C1	691982014	HQPNYSAQFVNOBB-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC12CCCC2	693793045	VEHYCVWXWYIWIE-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@@H]1CCCC2(CC2)C1	695986888	SPVGMUIJUGSUPG-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C[C@H](C)CC	696643401	DPTFKXNTPKPHLJ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)CCC(C)(C)CC	696706353	YHDSZGRMCXDQSV-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1CCCCCC1	697759631	QWSQLOVZRWEOLD-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=CCCC1(CNC(C)(C)C)CCCC1	698053769	DGFMDTQNQVKJGR-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C(C)(CC)CC)[C@@]1(C)CC1(C)C	701147544	JIHXVBUEWPXBOC-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@@H]1CCCC[C@@H]1C	704851481	MESSTEKKAJYJAJ-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@H]2CCCC[C@@H]2C)CC1	704988151	WLKHTDZDAFKHDJ-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCC23CC3)c1	706593441	ZTGKHJNNIUOPAR-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
C1=CC[C@H](CCNCCC2CCCCCC2)CC1	706745631	VGNCKYRECLYUFG-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCc1ccccc1[C@](N)(CCC)C(C)(C)C	707603882	KAXWMPMIJUFAMG-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
C[C@H](/C=C1\CCc2cc(N)ccc21)CC(C)(C)C	709088410	REIKMTRWKKBZLQ-AUWXEVLLSA-N	243.394	4.671	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)c1coc2ccccc12	709123219	KEZOXUKWGHOYMN-LLVKDONJSA-N	244.334	4.688	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1cccc(C2CC2)c1	709670256	YXTXQCOXHRWDEL-LBPRGKRZSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@]12CCCC[C@H]1C2	710368922	OEZAVGRMBVXSSP-DZKIICNBSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	713304273	KSHACRGELGSGNU-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
C=C/C=C\CCCC[C@H](NCC)c1ccccc1	713726639	HZHXLVZQXQTAID-OSJSJHBBSA-N	243.394	4.640	0	10	BJAE	
CCN[C@@H](C1CC2(CCC2)C1)C1(C)CCCCC1	717616344	FRRYKRDRBALFJS-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCNCC1(CCC2CCCC2)CCC=CCC1	718069521	VQFTXKGBSFPXED-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CCCC2(CC2)C1	723602001	FHGQSUBUEDKRCH-LBPRGKRZSA-N	249.785	4.783	0	10	BJAE	
CC(C)(C)CCC[C@H](CO)C1CCCCCC1	829254913	VOCFKYBGMSCQDL-OAHLLOKOSA-N	240.431	4.782	0	10	BJAE	
C1=C[C@@H](SC2CCCC2)CCCCC1	1188162317	ITUIUGVDNHMCDW-GFCCVEGCSA-N	210.386	4.551	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2C[C@@H]2C2CCCCC2)C1	1620819827	CHBMMYFEBRXJGQ-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNCCCC1CCCC1	1648689132	LMTBQUUIIJZHCM-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@H]1NCC1CCC=CCC1	1665723743	MYVCVCQNFMZLRI-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CN(Cc1ccccc1)CC(C)C	1880367898	DFRCJJAOGFDLHF-UHFFFAOYSA-N	245.410	4.501	0	10	BJAE	
Cc1cc(Cl)cc(-c2ccsc2C)c1	1889534657	CDHGMCTTZQQDIP-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
Clc1ccc(C2CC2)cc1C[C@@H]1C=CCC1	1901195072	UGPKRWPPQCCTGH-LLVKDONJSA-N	232.754	4.726	0	10	BJAE	
Cc1cc(-c2ccc(C(C)(F)F)cc2)cs1	1901902118	SEJLQYOYHPOVBH-UHFFFAOYSA-N	238.302	4.835	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@H](C)C1CCCCC1	1910808756	AVDBTTFQFDPGMY-YUELXQCFSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@@H]1CC[C@@H](C)[C@H](C)C1	1919960455	OLKQAPBKPDCCBN-UYJHQMFVSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CCC1CCCCC1	1920201566	HQERSVCKHCXMCU-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC(C)[C@@H](c1ccccc1)[C@H](O)CCC(C)(C)C	1921320881	RQJDIRFUCBOFNW-CVEARBPZSA-N	248.410	4.613	0	10	BJAE	
CC(C)CCCC(=O)[C@@H](C)C1CCCCC1	1924091344	ACAUAKFGXHOLAB-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H](C)C2CCCC2)c(C)c1	1924116410	PRETVANMRYPJCC-CQSZACIVSA-N	244.378	4.621	0	10	BJAE	
Cc1ccc(C[C@@H]2C=CCCCC2)cc1C	1925815099	SMAFFIXPEGUMOE-OAHLLOKOSA-N	214.352	4.592	0	10	BJAE	
CCCCC[C@H](C[C@@H]1C=CCCCC1)NCC	1925900553	HEEHFOXGMWNKLH-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
O[C@@]1(C[C@@H]2C=CCCCC2)CCCCC12CCC2	1925918159	RIGGHMQVRQHSLT-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)c1csc(Cl)c1	1933559918	HUUUXTBLMVIFAS-QMMMGPOBSA-N	244.787	4.657	0	10	BJAE	
CCCCCCC(=O)[C@@H](CC(C)C)C(C)C	1936206967	MWOBIPCKFHTFBA-AWEZNQCLSA-N	226.404	4.844	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](O)CCC1CCCCC1	1940856998	SJLHEDVDVARKNI-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)CCCC1CCC1	1941465841	RDPWAHWFOXTRDV-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](O)CCCCCC1CC1	1941572674	DEQWBPSUDBUHMW-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCCCCC1CC1	1941584942	CMRMZJQCWUVURX-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](CN[C@@H](C)C(C(C)C)C(C)C)C(C)C	1941928637	ILSFBBDTPYXMSD-LSDHHAIUSA-N	241.463	4.575	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1(C)CC(C)(C)C1	1941985460	JRAQHBULOAAOON-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]([C@@H](C)CC(C)C)[C@H](C)CCC(C)C	1942658127	PAGKTDPLWNLCNU-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC(C)C)C(C)(C)C(C)C	1944669351	YQFOVPYPMJRAPF-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C[C@H]1CCC[C@H]1C	1944847427	ALDJUMRCBORHSZ-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(CCC)CCC)[C@@H]1CC1(C)C	1945822327	GUWIMOJNGFTWJH-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
O=C1CCCCC[C@H]1c1cccc2sccc12	1945958917	LCKYKUYJISKHMH-LBPRGKRZSA-N	244.359	4.518	0	10	BJAE	
CC[C@@H]1CNCCC12CCCCCCCCC2	1947879824	DELLXXBIXILATE-OAHLLOKOSA-N	237.431	4.517	0	10	BJAE	
CCC1CCC(N[C@H](C)[C@@H](C)CC(C)C)CC1	1948328678	VQXAGXQJFKGSQK-QRNKSROTSA-N	239.447	4.616	0	10	BJAE	
CC[C@](N)(C1=CCCCCCC1)C1CCCC1	1948950688	KRLNMLJHFYIRIJ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CC(C)(C)C(C)C	1949006449	KNJJZHNPSDJQPY-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@](N)(CCC(C)(C)C2CC2)CC1	1949032169	KCFXPAVZDUKCLO-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)CCCC1(C)CC1	1949054183	KCEPGKVRZWHCBP-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC1CCC2(CC1)CC(O)(CCC(C)(C)C)C2	1950545841	SVNLGFKTISLQOG-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@H](N)[C@@H]1CCCC(C)(C)CC1	1950921391	FJYVGNQQPJTJSR-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCc1c(C)cccc1C	1963172529	BOKZOIINXRMWNV-CZUORRHYSA-N	247.426	4.608	0	10	BJAE	
CC(C)c1ccc(OCC23CCC(CC2)C3)cc1	1968402193	XMOVMKSBTURUTG-UHFFFAOYSA-N	244.378	4.769	0	10	BJAE	
C[C@@H](NCCC1CCCCC1)C1CC2(CCC2)C1	1968850120	YVAIWQFAIOZNMO-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H]1CC[C@@H]1NC1CC2(CCCCC2)C1	1972428723	PKAKNLINENSIEQ-ZBFHGGJFSA-N	249.442	4.514	0	10	BJAE	
CC1(CCCN2CCCCC23CCCCC3)CC1	1972913236	WIRWNGAESMLQSI-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CC(C)(C)CC[C@H]1C	1973164213	PKUHTJGRYWZHHL-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)NC1(C2CC2)CCCCC1	1973782020	IMLJPKIVHZDVGQ-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CCCCC1CC(N[C@@H](C)C23CCC(CC2)C3)C1	1973843920	HRPNRYKTDOXDTC-SIGVMEELSA-N	249.442	4.514	0	10	BJAE	
FC1(F)CCC[C@H](C[C@@H]2C=CCCCC2)C1	1978410492	MIJMJNGGZYICNH-CHWSQXEVSA-N	228.326	4.948	0	10	BJAE	
CC=CCCCc1ccc(C(C)(C)C)cc1	1984610343	MWLSJKNHWGQZBP-UHFFFAOYSA-N	216.368	4.883	0	10	BJAE	
C/C=C/CCCc1nc(C)c(C(C)(C)C)s1	1984610499	OPATZXPRMCSXEL-VOTSOKGWSA-N	237.412	4.648	0	10	BJAE	
CCC[C@H](C)CCN[C@H](CC)CCC(C)C	1986936802	GTYFARGNSJBZQR-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCC1(C)C	1987951400	YSNMULIEJSYRLB-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2CC[C@H](C)C2)CC1	1996266654	CNGVPAGQOQDZSK-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CNCCCC(C)(C)C)CC1	1997214380	JSQGVCXKNUSECH-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNCC(C)(C)CC)CC1	1997215178	NRJBEGFWKXVJGG-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@]1(C)CC=CCC1	1997545435	CNGZOKBMJQDDAZ-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@H]1C=CCCC1	1998379598	GKSCRBSFYCIGIX-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1NC[C@H](C)C[C@H]1C	1998568646	RPGMGOGJXYKACM-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)C(CC)(CC)CC	2000376780	PTOJPHSJKZNHFU-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CC23CCCC3)c(C)s1	2001221973	RUFFZIIYWLCVAV-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCC(CC)C(=O)C[C@]1(C)CCCCC1(F)F	2002587046	KKRSSUHYSGYNIT-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](N[C@H](C)[C@@H]1CCCC(C)(C)C1)C(C)C	2003003184	BOXONBFVCRTUGW-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(N)[C@@H]1CCC[C@@H](C)C1	2003020378	OAYKPJBYZNRXBS-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](C[C@H]1CCC2(CC2)C1)NCCC	2003217597	LCUFLNPSPPVSOP-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCC(C)C)C1(C)CCCCCCC1	2004922076	CYRUAMLZTGMQJQ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCC[C@@H]2F)c1	2006676279	GOZKYSVVFBGQQR-GJZGRUSLSA-N	235.346	4.503	0	10	BJAE	
CCC1(CC)CC(N)(C[C@H](C)CC(C)(C)C)C1	2009300298	WBXYCGKRUMTMOE-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
CC1(CC[C@H](N)C2(C)CCCCCCC2)CC1	2009535879	PCYIAWHSQYVKGA-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CC=CCCC[C@]1(N)C[C@@H](C)CCC1=C(C)C	2009570211	YFZZNQKEUBRRPM-HOCLYGCPSA-N	235.415	4.587	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@H](N)c2ccsc2)CC1	2010717398	YLHWSSOOWHWPLG-UONOGXRCSA-N	249.423	4.521	0	10	BJAE	
CCCC(CCC)C(=O)CC[C@]12CCC[C@H]1C2	2011010758	JDSHJFKLKIRACH-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
CCC[C@](N)(CC[C@]12CCC[C@H]1C2)C(C)(C)C	2011018952	HPMCMWLMXDWPFD-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC[C@]12CCC[C@@H]1C2	2011019295	KBYVAERHDFDBDH-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)CC1CC(=C2CCC2)C1	2011074574	OJIUSSOQOBTBEU-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCc1ccccc1N[C@H](CC)CCC(C)C	2013262435	BIKVSQAENQDXQT-OAHLLOKOSA-N	233.399	4.876	0	10	BJAE	
CC[C@](O)(CCC(C)C)[C@@H]1CC[C@H](C)[C@H](C)C1	2013270007	DRYMCUMZTXAVAH-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)C[C@@H](C)C(C)C	2015395694	AVCOWHJPVSFXJM-OWCLPIDISA-N	239.447	4.602	0	10	BJAE	
CCCC1([C@H](N)CC(C(C)C)C(C)C)CCC1	2015402274	WCPNGXMAAGIZNY-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@@H]1CC12CCC2	2015508481	HKJPZYQKGWBRIX-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@H](C[C@H]1CC[C@H](CC)CC1)NC	2017720569	HODVPCBCPMHLRH-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C[C@H]1CC[C@H](CCC)CC1)NC	2017722067	DFKIRJBHPWVPHV-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)CCC(C)C)CC1	2017726242	XTJCPXWNLVOPLI-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(C[C@H](N)C(C)(C)C(C)C)CC1	2017729977	BSZOXVNEQHZXFD-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@]2(C)CC2(C)C)CC1	2017770319	URYLZWBHXGFTNM-XEZPLFJOSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CCCCCC1CC1	2017789094	YCDFIUWTKZIBNE-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H]1CCC[C@H]1C	2018184973	MANLSLZUSFWSQO-OAGGEKHMSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@@H](NC)c1csc2ccccc12	2020970445	XMQGOSCEKNZLEN-OAHLLOKOSA-N	245.391	4.518	0	10	BJAE	
CC(C)(C)SCCNc1ccccc1C1CC1	2021026045	JNWLXZVPPXAQOW-UHFFFAOYSA-N	249.423	4.508	0	10	BJAE	
CC(C)CCCCCC[C@]1(C)CNC(C)(C)C1	2022141043	JYIYSTOLCOCCDO-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@@H]1CCCCCCC1=O	2022553158	DKJSPFUJOPMGKW-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1C[C@@H]1C1CCCC1	2022556635	HSKJQMQZVLQNPM-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
CCc1cc(C(C)(C)C)c2occ(CC)c2c1	2026526652	JKGXFHLAMHSCMF-UHFFFAOYSA-N	230.351	4.855	0	10	BJAE	
CC1(CC(=O)C23CCC(CC2)CC3)CCCCC1	2027275564	LIFGTSNALAFVGC-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCC[C@]1(CC)Nc2cc(C(C)(C)C)ccc2O1	2027863350	MBFSHMCXVBSVLG-MRXNPFEDSA-N	247.382	4.695	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)c1ccccc1C(C)C	2028253357	WAXNTCIIAXUUCS-DOTOQJQBSA-N	247.426	4.882	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]32)CC1	2028786400	KIXSXNBWJYSYIC-MTERUZRBSA-N	248.410	4.598	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)CCCCC1	2028788372	YQFGDTZQIFOPBT-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
C1=CCCC(C[C@H]2CCc3ccccc3N2)CC1	2028878011	JSYKXPNNLYXDII-MRXNPFEDSA-N	241.378	4.550	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccccc1CC(C)C	2028918139	LSVOCVJCICMNHO-KRWDZBQOSA-N	248.410	4.745	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)c1ccc(C2CC2)cc1	2029070797	QGYKGJZGSKWEDX-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CC(C)(C)CC3(CC3)C2)C1	2030289339	XRCZFIQWKKMIDH-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccccc2C2(C)CC2)C1	2032242601	JROALQQLKFLRIN-ZIAGYGMSSA-N	243.394	4.729	0	10	BJAE	
C[C@@H](Nc1ccc(C2(C)CC2)cc1)c1ccoc1	2032242702	LJTBJRSTLLNKHW-GFCCVEGCSA-N	241.334	4.504	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)c1ccc(C(C)C)cc1	2036376357	SNBHLUOQBFGQKT-PBHICJAKSA-N	247.426	4.666	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1NC1CC2(CCCC2)C1	2036538081	CKNNZBIXTTULAK-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](CCCC=Cc1ccccc1)NCC	2036959360	QNFJOPDCWFMOGJ-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
CC(C)(CC[C@@]1(N)CCCCC12CCC2)C1CC1	2037160231	XBOJCJOQFPALQA-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)[C@@H]1CCC2(CCCC2)C1	2037706945	ZJFVWTQIMRMZPW-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C[C@H]2CNC3(CCCC3)C2)CC1	2037729284	HUPJQCFFJZXOMV-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C=C1CCCC[C@@]12CCNC2)CC(C)(C)C	2038649919	PHKVQWPTIYOBPP-YOEHRIQHSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NC1CC2(CCC(C)CC2)C1	2038941656	VNEAOMOREJNMID-MWMRAWMSSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)[C@@H]1CC12CCCCC2	2039085474	NUVDPSDJCRFVHK-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc([C@H](O)[C@@H]2CCC[C@H](C)CC2)c(C)c1	2039359983	ORKTULBUWCIWDQ-XGWLTEMNSA-N	246.394	4.553	0	10	BJAE	
CCc1ccc(CC)c(NC[C@@H]2CC[C@H](C)C2)c1	2040125810	AFNCTRGVFBKBNL-DZGCQCFKSA-N	245.410	4.660	0	10	BJAE	
CCN[C@H]([C@H]1CCC(C)(C)C1)[C@@]1(C)CC=CCC1	2042017118	RBURQTFFIMGAQY-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@@H](N)C[C@@H]2CCC=CCCC2)c1	2045304964	KPBOQHVMXZMFOC-WBVHZDCISA-N	243.394	4.521	0	10	BJAE	
CC1(C)C(C(=O)C[C@@H]2CCC=CCCC2)C1(C)C	2045312380	YZWNRFQXGSZKHX-CYBMUJFWSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)CC2CCC=CCC2)CC1	2045312561	ZVUGIQPBGGKMKJ-NVXWUHKLSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)[C@@H]2CCCC23CCC3)C1	2045392160	SEZMJKCVLDTVHQ-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](N)[C@@H]2CCCC(C)(C)C2)cc1C	2045392700	XBDWKIMFXYUORR-HZPDHXFCSA-N	245.410	4.520	0	10	BJAE	
Cc1cc(F)ccc1C(=O)[C@H]1CCCC(C)(C)C1	2045448741	DVQPTVOSMYTPKO-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CC(C)C1([C@@H](N)C[C@H]2CC23CCCCC3)CCC1	2047014697	DAXCJJYSHIUQBN-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H]1CC12CCCCC2)c1ccc(N)cc1	2047021366	WINMUBUYHOALAS-HIFRSBDPSA-N	243.394	4.733	0	10	BJAE	
C[C@H](CC1CCCCC1)NC1[C@H]2CCCCC[C@H]12	2048386660	FPVLSHSTIXEBHD-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CC[C@@H]3C[C@H]3C2)C1	2049512608	USJOUESTTYBPSP-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CC2)C1)[C@H]1CCCC(C)(C)C1	2049533464	RGBCHPIQQVZNNV-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CCCC2(CC2)C1)C1CCCC1	2049938521	RIPFZJUDXXFEGU-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@]1(C)C=CCCC1	2050007647	QONHOUOJYMTDTQ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCCCC1CCC1)c1ccco1	2050523366	SHJPDOCMSUOYSC-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
CCCC1(CNC[C@H]2CCCCC23CC3)CCC1	2053430674	RLWUJTFIKIFTDE-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C1(C2CC2)CCCC1	2057606431	MSXLSPUAGKTVRQ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1C(C)=CCC[C@H]1C	2059246634	FSYJPYCUXOXRHM-DXKQIRHGSA-N	249.442	4.703	0	10	BJAE	
C/C=C/CCCC1(CNC2CC2)CCCCCC1	2059260264	WPMROQFNMHVWFQ-NSCUHMNNSA-N	249.442	4.825	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2059266268	DUDBEYXDWAAXTQ-DZZNIXLJSA-N	249.442	4.667	0	10	BJAE	
CCCC1CC([C@@H](N)C2=CC[C@H](C(C)C)CC2)C1	2061136787	CULAVGURGAGVBN-VLVHBFOGSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC=C([C@](C)(F)c2cccc(N)c2)CC1	2061145882	BYYGJZYTVHNBSO-LRDDRELGSA-N	247.357	4.590	0	10	BJAE	
C=C=CCCN(C)[C@H]1CCCCC12CCCCC2	2061553257	KCPDVMMYGJYICL-INIZCTEOSA-N	247.426	4.543	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C[C@@]12CCC[C@@H]1C2	2061610588	AUKXBNACNJQLSJ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(CN[C@@H]2CCCCCC23CC3)CC1	2062016666	IWTNOIYYELEEDS-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063501591	POACAMHCLQSTLU-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)NCc1ccc(C)c(C)c1	2065987818	NLYYENCNMXNJBE-QGZVFWFLSA-N	247.426	4.608	0	10	BJAE	
CCCN[C@@H](c1ccco1)C1(C(C)(C)C)CCC1	2071927793	DPVTUMMYUXVSJE-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CCCC1CCC(CC=CCCNC2CC2)CC1	2072815567	NLFKKOQPBQRFPH-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@@H]1CC=CCC1	2074644989	WVSFSPLRTBEQNE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CCCN([C@H]2C=CCCCCC2)CC1	2074797352	PUZWZWVHVHMBCF-IRXDYDNUSA-N	249.442	4.778	0	10	BJAE	
CC=C(CC)[C@H](O)[C@H](c1ccccc1)[C@@H](C)CC	2077191174	ZUGPYUARIKZDSZ-JQFCIGGWSA-N	246.394	4.534	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2C[C@H]2C2CC2)CC1	2079336675	JZGCVXBDBVOQES-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
NCC1(C[C@H]2C[C@@H]2C2CCCC2)CCCCCC1	2079660928	NQOJUISQICBKRB-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
CC(C)c1nn(C(C)C)c(Cl)c1C1CCC1	2079823634	HDJQVGBJPQXLGE-UHFFFAOYSA-N	240.778	4.508	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@H]1C[C@H]1C1CCCC1	2079865330	OZNNWQWZTBZJKX-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C=C1CCC1)c1ccc(C(C)C)cc1	2080254873	GWUKVIBVRRDRQL-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCC1CC(CC(=O)C[C@H]2[C@H]3CCCCC[C@H]32)C1	2084995005	PSOLURCPBMZPHH-QUZOXXGXSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)c1cccs1	2213278337	TYEGOSXOTHPYCL-ITGUQSILSA-N	248.391	4.537	0	10	BJAE	
CC(C)CCC[C@@H](O)CCCCCCC1CC1	2213577895	GYVYTXCMHLUBFD-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@@H](NC)[C@]1(C)CC=C(C)CC1	2215814527	QRCGWPWLVNNKKN-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)NC[C@H](CCC1CCCC1)C(C)C	2217152137	BKVPPNGEPMWUFT-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)C1C[C@H]2CCC[C@H](C1)C2	2218334341	MVVWORTYYGVKIW-ILXRZTDVSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc([C@](C)(N)CCCCCCC2CC2)o1	2218718490	ODYQTBRPGGIJDW-MRXNPFEDSA-N	249.398	4.513	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](N[C@H]2C=CCCC2)CC1	2220278197	YWZICCCXXHMGJO-HRCADAONSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@]1(N)CCC2(CCCCC2)C1	2220853561	RUNBIQZQCWLQER-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(OCC2(C)CC3(CCC3)C2)c(C)c1	2221076394	QWDPSTFGXDFPTF-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@]1(C)CC=C(C)CC1	2221613900	SQQYPKZAVKGKBT-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC2(C)CC(C)(C)C2)CC1	2221641890	ZMPPKJKCRXIDDV-QGZVFWFLSA-N	248.410	4.908	0	10	BJAE	
CC1=CC[C@@](CN)(CC2CCC(C)(C)CC2)CC1	2221656559	ZRNKDAVRWOBJNV-KRWDZBQOSA-N	249.442	4.668	0	10	BJAE	
CC1=CC[C@H](N[C@H]2CCCCC[C@@H]2C(C)C)CC1	2221661708	OCOSTRYZAPNGJV-BBWFWOEESA-N	249.442	4.680	0	10	BJAE	
NC1CCC(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	2222933435	LQUBEOODECURCE-RZFLTCLSSA-N	249.442	4.501	0	10	BJAE	
Cc1cocc1[C@@H](N)CCCCCCCC1CC1	2223133056	RPOBOPBGSSQHIH-INIZCTEOSA-N	249.398	4.729	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCOc1cccc(Cl)c1	2243040906	WAEJVTRROISRDH-NEPJUHHUSA-N	238.758	4.545	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)c1ccsc1	2243904149	ZDIFESOLSXSOPV-NWDGAFQWSA-N	236.380	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H](CC)CCC	2244782405	MMXKBSSMFZQREJ-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCCC1(NCCCC[C@@H]2C[C@H]2C)CCCC1	2247113681	FFPOJWDMDMVMLB-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](O)(CCCC[C@H]1C[C@H]1C)C(C)(C)C	2247126919	FLCUIKFYLMWOID-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC2=CCCCC2)C1	2247505898	AZNDQOTUAYIBMH-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)c2csc(C3CC3)c2)C1	2248070596	UJUXLYHTTBTLTK-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@](C)(N)C1CCCC1	2248856069	VANARBMVLMOMMK-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
OC1(CCCCCCC2CC2)CCC=CCC1	2249270936	FNRSUFCIPQDFQO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)[C@@H](N)CCC[C@H](C)CCCC(C)C	2250472079	BUXKDWFFWBJUCB-PMPSAXMXSA-N	241.463	4.993	0	10	BJAE	
CCCN[C@H]1[C@@H](CCC)C(C)(C)CCC1(C)C	2251698908	YIMJKGACWLIAKT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1	2253939319	RSIWQFHZFMJBOF-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](N)(C2CCC2)C2CC2)C1	2254000669	GEZONNYVCFGHRR-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@H](N)CCCCC[C@@H]1C[C@H]1C	2254529362	HFEXXXRHEMHZRX-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
CCCc1ccccc1NCCCC[C@H]1C[C@@H]1C	2254541717	BERVGLFANFPMBA-HOCLYGCPSA-N	245.410	4.877	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC[C@@H]2CCCC23CC3)C1	2255328919	KOQSBRDJUFWYPQ-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)c1cccc(C)c1C	2259456751	ZLHGDWBEPPTEJQ-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
C1CCCC(CN[C@@]23CCCC[C@H]2CC3)CCC1	2260554800	JSFQBJAVWJMACX-DLBZAZTESA-N	249.442	4.659	0	10	BJAE	
CC(C)CC(=O)[C@H](c1ccccc1)C1CCCC1	2263836833	JNONRSIVIMBPFC-QGZVFWFLSA-N	244.378	4.576	0	10	BJAE	
CCCC[C@@H](C[C@@]12CCC[C@@H]1CC2)NCCC	2298726410	DTKURHRJGNHJPC-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC[C@@H](O)C[C@@H]1CCC12CCC2	2300679200	QTRTVDWGTWRJIH-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCCN(CCC(CC)CC)CC1	2300688965	SLMYINHOWLCPQL-MRXNPFEDSA-N	239.447	4.715	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CC2CCCCCC2)C1	2301139552	HKEHDBULVFUVAU-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCN[C@H]([C@H](C)[C@H](C)C(C)C)C(C)(CC)CC	2301824611	FHACDGDVJYMNLI-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC[C@H](C)[C@H](C)C(C)C)C(C)C	2301844800	SVNUXUGMVKFFCZ-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](C[C@@H]1CC(C)(C)[C@H]1C)NCCC	2302139487	MKJIVMGFWDMCJB-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)CCCC1=CCCCC1	2302313573	RFCUJIWAKGWFSB-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
CC(C)(C)[C@H](O)CCCCCC1=CCCCC1	2302342392	HWMAAKWUOUCNHT-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CCCCC1CC1	2302581115	YGSHQNSSCFZFAW-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CC(C)C(CCC[C@H]1CCCC[C@H]1N)C(C)C	2302661545	OWXCGJFGVQOHOB-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](C)(CC[C@@H]1C[C@H]1CC)CNC(C)C	2303566416	MXTPYSQQNWYQGU-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@](C)(O)CC2CCC2)C1	2304351364	HBQGHJOSMKDMCR-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
Cc1ccccc1OCC[C@@H]1CCC(C)(C)C1	2304432289	TUSINVKTAIIAHG-AWEZNQCLSA-N	232.367	4.590	0	10	BJAE	
CCC[C@H](CC)CN1CCC[C@H](C(C)C)CC1	2307761398	RUQHPSWDTALEKT-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)CC1(CNCC)CCCCC1	2307763848	QITZFVPTVFEPFY-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](CC)CC[C@@H]1CN	2307826985	SSNRZEIYZKTQPQ-CAOSSQGBSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CO)CCC=CCCC1	2307874068	GGTRXYOWFHXGME-HOTGVXAUSA-N	238.415	4.702	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)[C@@H]1CCCCC12CCC2	2310427264	WTMDNUYBWWSHMV-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@@H]1C)[C@]1(C)C=CCC1	2310436188	FLOKEISFHVDGQB-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H]1C[C@H]1c1ccccc1	2311547641	PYHZDWDEMMOSQZ-ZACQAIPSSA-N	246.394	4.512	0	10	BJAE	
CC1(C)CC[C@@](C)(NC[C@@]23CCCC[C@@H]2CC3)C1	2313317475	DFQRNGRVRIAKSG-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C[C@@]23CCC[C@@H]2CC3)C1	2313322684	MCGPUJANQGNIDX-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	2313674062	WGKQJLWLMOQYRR-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCC1(F)CCC1	2315878295	RWOGRNDZJUBHGX-UHFFFAOYSA-N	249.373	4.813	0	10	BJAE	
CC(=CC[C@H](N)C1[C@@H]2CCC[C@@H]12)CCCC(C)C	2316505144	XQQJXCYMWBMFBO-OAGGEKHMSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)c1ccc(CC)o1	2316511199	YYKGEGVAKVDRMH-HNNXBMFYSA-N	249.398	4.629	0	10	BJAE	
CC(=CC=C1C[C@H](C)NC[C@H]1C)CCCC(C)C	2316537824	ULEUSFZTOAJGHP-CVEARBPZSA-N	249.442	4.703	0	10	BJAE	
CC(=CC[C@H](N)[C@]12C[C@H](C)[C@@H]1C2)CCCC(C)C	2316571306	RRZJMGALDIFSOJ-QAETUUGQSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H]2CCC[C@H]1CC2	2316870205	OSKBRRQYKJDRQO-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
Fc1cccc2c1ccn2CC1CCCCCC1	2317017113	XYVHXAISCUBSFF-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C1=CCCCCCC1	2317962248	KQOSFEXZPKYSAE-KRWDZBQOSA-N	247.426	4.875	0	10	BJAE	
CCCC1(CN(C)CCCC2=CCCCC2)CC1	2318560874	KXYYEUDWCHPDKV-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1CCC[C@@H]2C[C@H]21	2318589649	SSKANUWYZAFUAI-BZUAXINKSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N(CCCC2=CCCCC2)C1	2318594042	BCZQDFNAUMUHOJ-JKSUJKDBSA-N	249.442	4.778	0	10	BJAE	
Cc1cc(C)cc(OCCCC2=CCCCC2)c1	2318599560	YCCUMCJHAOUBDW-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC[C@@H]2C[C@@H]21)C1CCCCC1	2319442217	ZWLCEKIYIRJSMV-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@@H](CN2C3CCCC2CCC3)CC1	2320395025	UKBMMFSVZKIHSP-GTPINHCMSA-N	247.426	4.530	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](O)CC2=CCCCC2)CC1	2320408883	OVCMZJSMIAWADH-IRXDYDNUSA-N	248.410	4.764	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H](C)CC2CCC2)c1	2320567357	IIDCCTLSIKCDLG-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCCCC[C@](C)(N)Cc1cccc(C(C)C)c1	2320659900	JMSFGIPCBXQNAD-KRWDZBQOSA-N	247.426	4.650	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)CCC=CCCC2)C1	2321639824	OSVPYVJYQXCPQL-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)C(C)(C)C2CC2)c1	2327789538	KRHGFLFPOGJKFM-INIZCTEOSA-N	246.394	4.588	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)C1CC(=C2CC2)C1	2328277160	TVZGKCPCOWSNBV-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
Cc1cc([C@@H](C)Nc2ccccc2)c(C)s1	20085430	KPGZABJTINZHIF-LLVKDONJSA-N	231.364	4.538	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccccc1	21816373	GQAZPNXXWATWII-KBMXLJTQSA-N	231.383	4.559	0	10	BJAE	
CCC(CC)N[C@H](C)CC(C)(C)c1ccccc1	37186969	GMEKSOGSXOBEHR-CQSZACIVSA-N	247.426	4.521	0	10	BJAE	
CCc1ccc(-c2ccc(C(C)C)cc2)cc1N	41282552	IDDITCSPWGRVHA-UHFFFAOYSA-N	239.362	4.622	0	10	BJAE	
CC(C)c1ccc(Cn2ccc3ccccc32)cc1	41304475	LZIPFMFTFSHZAC-UHFFFAOYSA-N	249.357	4.813	0	10	BJAE	
CCCC[C@H](C)N[C@H](CCC)c1cccs1	49541653	SUPPKRYNSFYABP-QWHCGFSZSA-N	239.428	4.758	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)c1cc2ccccc2o1	62797771	SXIRGMGEOFKCLO-OCCSQVGLSA-N	245.366	4.520	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](C)c1ccc(C)s1	82631253	SGAWATVMUONXHV-RYUDHWBXSA-N	239.428	4.532	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCC[C@H](CC)C1	83784100	RKAOGUJVUBYUEW-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(C(CC)CC)CC1	87158873	BRGOFBQDMDLCKS-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)c1cccc2cc(C(=O)C(C)C)oc12	88071831	RREBQBWNNVBIDN-NSHDSACASA-N	244.334	4.785	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCCCC[C@@H]2C)cc1	88505789	DQWMIJCHMIBFBK-UXLLHSPISA-N	245.410	4.614	0	10	BJAE	
CCCCC1CCC(CN)(C[C@@H](C)CC)CC1	103997820	PNGGBQSNJVRJJA-FHERZECASA-N	239.447	4.748	0	10	BJAE	
CCCCc1ccc([C@H](C)CC[C@H](N)CC)cc1	107478681	WSNWYKIKAWFUFI-RHSMWYFYSA-N	247.426	4.650	0	10	BJAE	
CCCCc1ccc([C@H](CC)C[C@@H]2O[C@H]2C)cc1	107479156	JXBQXEZWHHGVCF-LXZKKBNFSA-N	246.394	4.700	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)c1ccc(CC)cc1	109722781	KTMDGKFCLUPICE-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC[C@@H](C)C2)c(C)c1	109899315	SXIAIZKEMPXHTN-IAQYHMDHSA-N	231.383	4.602	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1C[C@H](C)CC(C)(C)C1	109939543	WYKRDNVCKVGKGZ-WCQYABFASA-N	249.373	4.761	0	10	BJAE	
CCC(CC)C(=O)c1sc2ccccc2c1C	114448524	KODXQIJBWGQXAK-UHFFFAOYSA-N	246.375	4.829	0	10	BJAE	
CN[C@H](CCC(C)(C)C)c1coc2ccccc12	122909126	ISPDQCUUBWOUGR-CQSZACIVSA-N	245.366	4.520	0	10	BJAE	
C[C@H]1CC[C@H](Nc2ccccc2)c2ccccc21	136951377	RVXGISHRUPBKLF-GUYCJALGSA-N	237.346	4.737	0	10	BJAE	
c1ccc2c(c1)CCc1c-2ccc2ccccc12	137317838	QAOVZIXGCXUFMK-UHFFFAOYSA-N	230.310	4.605	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCC(C)(C)C[C@@H]1C	155864652	SFXUVZBPJHMTTJ-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CCC(C)C	163105583	LHGJFKODIJCSBD-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](c1ccccc1C1CCC1)C(C)(C)C	169035527	CZZFJFNRRFIIGL-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)C1=CCCCCC1	203532530	OQLRUZWFQAMMQE-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
Clc1ccc(N[C@@H]2/C=C/CCCCC2)cc1	218836045	BXTJCMNUYRHXBB-DIECRNLCSA-N	235.758	4.641	0	10	BJAE	
CC(C)=CCN[C@@H]1CCCC[C@@H]1C1CCCCC1	228838709	QIBSAGKMCLFNCY-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@H](NCC1(C)CC1)c1ccccc1	232980098	SWFJXKDYPOTRIF-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCC[C@H](C)C1(O)CCC(c2ccccc2)CC1	233327733	HTJDBBASACKCGM-OOHWJJMZSA-N	246.394	4.512	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccc(C)cc1Cl	233328352	AXLZFLLHQBFDJZ-JTQLQIEISA-N	238.758	4.657	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@@H](C)[C@H](C)C1	251314703	JIGSDVVJPWHTAZ-WCVJEAGWSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1[C@H](O)[C@H]2CCCCCCCCCC[C@@H]12	251717948	RRZWBPBDTAGFHB-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC[C@H](N)c2ccccc2)C1	252101130	IKJOGECLVIWDQC-HWMZRRJGSA-N	245.410	4.539	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](NC2CCCCCCC2)C1	252213119	YPAQTCUFWMXJEE-FOLVSLTJSA-N	237.431	4.514	0	10	BJAE	
C/C(=C/CCNCC(C)C)C[C@H](C)CC(C)C	305918657	HIULOSIMQMCRTJ-MVMZHWFQSA-N	239.447	4.641	0	10	BJAE	
CCC[C@@H](CCC1CCCCC1)CNC(C)C	305927251	JAVBMJQTMAYAMM-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1/C=C/CCCCC1	305956976	IFSRINIEHJDZFD-LJLILKBBSA-N	249.785	4.949	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)C)C(C(C)C)C(C)C	306078654	BPCQVVIXJZXDFW-HUUCEWRRSA-N	241.463	4.575	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](CCC(C)C)C1CC1	310314839	WIZGLGNKFMDUQL-ZBFHGGJFSA-N	239.447	4.760	0	10	BJAE	
CCC1(CNc2ccccc2C(C)C)CCC1	310430863	QEYVMUBPFTVHLK-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1(C)CCCC1)NCC	310501673	IDIBBFONSWPBEK-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc2c(ccn2C2C[C@@H](C)C[C@H](C)C2)c1	310594366	NUOSVTNJEPMILJ-KBPBESRZSA-N	241.378	4.947	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)c1ccccc1CC	310989895	VLAUAYWGWHYBLJ-DOTOQJQBSA-N	247.426	4.726	0	10	BJAE	
CCNC[C@](C)(CC)CC/C=C/c1ccccc1	317222528	BZJPGDGWAUSSFV-JZUUQJBKSA-N	245.410	4.506	0	10	BJAE	
CC(C)NC[C@]1(CCC(C)(C)C)CC[C@@H](C)C1	318122764	VWKKCYHERMKFIY-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CC[C@H](CC)CC1	328384297	ZXGLFQYGGVRVSX-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H](CC1CCCC1)CC1(CC)CCC1	379764506	GXYKJHJYIQSNCO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc2c1ccn2C/C=C\c1ccccc1	387525089	VMROBGCODPFFCZ-POHAHGRESA-N	247.341	4.663	0	10	BJAE	
CC(C)CC1(CN[C@H](C)CCC(C)(C)C)CC1	391805684	GGDVACBSRBBUAH-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNCCC2=CCCCC2)C1	394604960	HAEUASNDNZNIAR-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@H](C)CC(C)C	394752184	VELKCTMPAKCRHG-HUUCEWRRSA-N	228.420	4.636	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](O)CCC1CCCCC1	395023115	NUTVMRJLMHNGNX-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCc1c(C)[nH]c2c(Cl)cc(Cl)cc12	395294998	HHGWCENPJSBGDP-UHFFFAOYSA-N	242.149	4.736	0	10	BJAE	
Cc1cccc(Cl)c1NCCC1=CCCCC1	395384083	STANUUWCAPSVQJ-UHFFFAOYSA-N	249.785	4.951	0	10	BJAE	
Cc1cc(C(F)(F)F)c2sc(C)cc2c1	396193600	GZMSEZYXOULBMQ-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CC(C)[C@]1(C)C[C@@H]1NC1CCC2(CCCC2)CC1	397188676	NLGBEJAJUQVXPD-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](NCC(C)(C)C1=CCCC1)[C@@H]1CC1(C)C	397600764	ACHVNLAPFQQQOJ-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc([C@H](NC)[C@H](C)C(C)(C)C)cc1	399147242	DZEQWIRRQYAVEM-XJKSGUPXSA-N	247.426	4.582	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@H]3C[C@H]2C3(C)C)c1	400681773	WZFGKBJVQXDRNT-RRFJBIMHSA-N	243.394	4.540	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCC(C)(C)C2CC2)C1	406072746	OXYDFPJXHFUAGS-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCNC/C(=C/C1(CC)CC1)C1CCCCC1	687557844	LWVTYNUNIDSTGC-SSZFMOIBSA-N	249.442	4.683	0	10	BJAE	
CC(C)NC[C@H](C)[C@H](C)c1cccc(C(C)C)c1	688971920	VMQFMAOFFJPMIU-GJZGRUSLSA-N	247.426	4.548	0	10	BJAE	
c1ccc(-c2cccc(NCc3ccoc3)c2)cc1	689642977	TWUPXDCWSIPRIB-UHFFFAOYSA-N	249.313	4.559	0	10	BJAE	
CCSc1cccc(NC2CCCCCC2)c1	689700728	APUUIRIHDWPOAD-UHFFFAOYSA-N	249.423	4.933	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCC2=CCCCC2)C1	690297711	CNNWRASFQOYCGG-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)C[C@H](O)c1cccc(C(C)(C)C)c1	691700329	PWMSNZAGTJHQNN-INIZCTEOSA-N	248.410	4.844	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@H]1CCC[C@@H](C)C1	696551235	RFEYKMQXPAGTTH-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCNC1CCCCCCC1	696725005	CGGSSWPIZVVJAD-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCc1ccccc1O[C@@H]1CCC[C@H](CC)C1	699505851	HKLYVULBAJOERQ-GOEBONIOSA-N	246.394	4.987	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)c1ccc2sccc2c1	700860029	FKTSAIRACLOEQH-GXFFZTMASA-N	244.359	4.520	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)C1CCCCCCC1	701133203	YNIVAJQACRDRFS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC(C)(C)C)CC1(C)C	702164910	MPYPMVGEEJPWNX-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CNC(C)C)C[C@H]1C	703334818	YSOHUGDWTJMVLG-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@](C)(N)CCC(C)(C)C)cc1C	704859542	HRYGMPKKPZWTOW-QGZVFWFLSA-N	247.426	4.612	0	10	BJAE	
C[C@@H](N[C@H](C1CCC1)C1CC1)C1CCCCCC1	705343298	MJDPKKNXDUEMKY-CXAGYDPISA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCC[C@H]1CC=CCC1	706891626	XGWSNWLGASTNOZ-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CCCC23CC3)cc1	707156454	KVMFCFRKBWHJFT-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)c1ccc(Cl)s1	709256003	XPWHHLNHJXEBKO-MRVPVSSYSA-N	244.787	4.657	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@@H](C)C(C)(C)C	711200442	QLXPHQXWAWHVEH-RBSFLKMASA-N	241.463	4.848	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C[C@@H]1C[C@H]1C1CC1	712994139	WPEJCCZEUWRYGS-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC(C)(C)C(C)C)C1	713326362	VNZUKVKZMHYZPX-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C(=O)CC(C)(C)CC)c1ccccc1	713331504	NKLZBZHWAXQQJQ-AWEZNQCLSA-N	232.367	4.576	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H]1CC12CC2	715372292	VJPZYUOPUMZCHH-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
CCC[C@@]1(CCC(C)=C(C)C)CCCCCN1	718654938	VXFKZSWIQMZTEN-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
Cc1sc(C)c([C@H](O)CCC(C)(C)C)c1C	722499086	RZGBMQHMKBKUAJ-GFCCVEGCSA-N	240.412	4.533	0	10	BJAE	
Cc1ccc(O)cc1-c1ccc2ccsc2c1	1244448964	CDCAOYJPYSHEGK-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CC(C)CSCc1ccc(Cl)c(Cl)c1	1559319031	HRCAFIXVXFJESA-UHFFFAOYSA-N	249.206	4.883	0	10	BJAE	
C[C@H](CN1Cc2ccccc2[C@@H]1C)CC(C)(C)C	1659600997	QTXZMBLXCAZOJY-KBPBESRZSA-N	245.410	4.636	0	10	BJAE	
CC1(CN[C@@H]2CCCCC23CCCCC3)CCC1	1875421059	XSPHDBXXIREQJI-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C/C=C/CCCC[C@H](C)CC(F)(F)F	1885360351	AFNKFBZHUZETJX-FSIBCCDJSA-N	208.267	4.711	0	10	BJAE	
CCC[C@](O)(CCC(CC)CC)C(C)(C)C	1900692512	DWGRYBUBMQHXKG-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CCC(CC)CC[C@@](N)(CC)c1ccsc1	1900713375	OZCBBMVSOIZPGW-AWEZNQCLSA-N	239.428	4.529	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H](C)C(C)C)cc1Cl	1901622085	ASQGBZRLBLXWBV-VXGBXAGGSA-N	239.790	4.741	0	10	BJAE	
CCC[C@H](CC)CC(=O)CC(C)(C)C1CC1	1905449492	LHQVMOWQMKGJOZ-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNC1CCCCCCCC1	1910643824	NLXSMFRDAPAVAP-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCN(C[C@@H]1C[C@H]1C(C)(C)C)[C@@H](C)CC	1910864972	GDXLYSSTPLRACV-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
C=CC=CCC[C@H]1CCCCC[C@H]1CNC(C)C	1911939702	XSOHWTMRBCDNIS-IRXDYDNUSA-N	249.442	4.703	0	10	BJAE	
CC=C[C@H](NCCC)C1(CC(C)C)CCCC1	1912130305	UTBBKXIRFINLKE-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1CC[C@H]2C[C@@H]2C1	1917354644	HINSAAQAAJYGJU-ZMSDIMECSA-N	241.378	4.555	0	10	BJAE	
CCCC[C@](O)(CC)c1ccc2ccccc2c1	1919479717	MEJRCGXPVZLFLJ-QGZVFWFLSA-N	242.362	4.628	0	10	BJAE	
CCCC1CC([C@@H](O)c2cccc(C(C)C)c2)C1	1921180730	MXDJWHDIEQNNBF-IMRCBTMISA-N	246.394	4.670	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CC(CCC)C1	1921256801	ITPODAOPJNGJQQ-NFOMZHRRSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@H]1C=CCCCC1	1925765487	QHWSLYPOKDANAD-ZDUSSCGKSA-N	236.399	4.764	0	10	BJAE	
CC1(C)CCC(=CCC[C@H]2CC2(C)C)[C@H](CN)C1	1927165741	NRTNGWFGTMKSQW-GJZGRUSLSA-N	249.442	4.524	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)[C@H](CC(C)C)C(C)C	1936212606	OTBCMSKFEFNLNP-BFHYXJOUSA-N	226.404	4.556	0	10	BJAE	
CC(C)(C)CCCCC1(CO)CCCCC1	1939554459	FFZSPOZIQLJOQM-UHFFFAOYSA-N	226.404	4.536	0	10	BJAE	
CCCCC1(CNC(C)(C)C)C(C)(C)C1(C)C	1940295122	WGRWPHJNHISZOM-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(OCC2(C)CCCCC2)cc1C	1940382698	IPWNGJCDAKFWEO-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CC[C@H](C)[C@@](C)(O)C1CCC(C(C)(C)C)CC1	1941143590	CSEXEASONPYSGF-WLIAPVHPSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CC1=CCCC1)NCC	1941268611	HUIFFCSUKQSLRY-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@@H](CC)C(C)C	1941273590	SNXHWFCDTRVECL-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C(C)(C)C1CCCC1	1944647228	UFZPOLMAZBQJIY-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](O)C1(C)CCCCCC1	1944866928	BMUXMGZIGFNGOA-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CC[C@@H](C)[C@@H]1C(C)C	1947509776	IXOHWAMEAGFRNW-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CC[C@H]1C=CCCC1)C(C)(C)C	1947594114	VLMTVWKYEQZVIS-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
Cc1cscc1C(=O)[C@]12CCCC[C@H]1CCC2	1948008634	RJPXMASHEWPLIA-WFASDCNBSA-N	248.391	4.600	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)[C@H](C)CC(C)C	1948327077	NSAJVOWTFPOQMP-FPCVCCKLSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C1CC(C)(CC)C1	1948411654	TXWUBFMOKXNWIB-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C1=CCCCCCC1	1948949180	FGGYIZLPHBFGFY-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC(C)(C)C(C)(F)F	1949014408	DCUAACJNMLUDCX-BXUZGUMPSA-N	249.389	4.602	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)[C@@H]1CC[C@@H](C)C1	1949435103	SFJBLBCCIYFXFH-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CCC(C)(C)C(=O)C2)C1	1949655097	AYKWXJOOKYNFGP-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCCCC1CCC1)CC1CCCC1	1949864545	OLCZAYQJEQSZCD-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)CC[C@H](N)CC1CCCCC1	1949919466	WVQVRBLSCGLESO-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)[C@@H](C)NC[C@@H]1CCCC(C)(C)CC1	1950923689	VKPFEQHXRJNRGD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@H](C[C@@H](C)CC(C)(C)C)NC)CCC1	1951245447	SZKIIXUBXHNZKJ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(CN(C)C[C@@H](C)CCC)cc1	1964258761	LZMQUXQNXIMODP-HNNXBMFYSA-N	247.426	4.507	0	10	BJAE	
CC(C)(C)CCNc1ccccc1C1CCC1	1967840128	CWBAOZYOGSADOM-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCN(CCC(C)(C)CC)Cc1ccccc1C	1968693509	QLBHQXFMXXOTNE-UHFFFAOYSA-N	247.426	4.643	0	10	BJAE	
CC[C@H](NC[C@H](CC)C(C)C)c1ccc(C)cc1	1973382987	AXOUEGFUUITGDJ-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CC1(C)CCC[C@H](c2nc(C3CC3)cs2)C1	1980273907	JSDQDARNMQWZLT-NSHDSACASA-N	235.396	4.704	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C(C)(CC)CC	1981003140	XYCLSGSCUHMPEQ-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCCCC[C@@H](O)C1(C)CCC(C)CC1	1983318237	JIKXHBRGTFNYMZ-SHARSMKWSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@](O)(CC1(CC)CCC1)C(C)(C)C	1988435204	SLILGAIQIUWZJP-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC=CCCCOc1cc(C)c(Cl)cc1C	1989924031	HMPKONXJSLAVFM-UHFFFAOYSA-N	238.758	4.692	0	10	BJAE	
CCCCC[C@@](N)(CC)CCC1CCCC1	1990089192	BABLTZVXHFQZSN-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC[C@H](C)C1)C[C@H](C)CC	1996261139	UCDPVCGZVYIMTO-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1CCC[C@@H](CC)CC1	1997106074	RFXNOWVZPDQARR-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(C[C@H](O)CCC2CCC2)CC1	1998047784	PCSOBMUEBMSSLW-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC)CCC[C@@H]1CCC=CCCC1	1999991618	BMIIDMOIEKFZAM-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](O)CC2CCCCC2)C1	2000029647	ZQIACRAAFXHTAY-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1C=CCCC1	2000197390	XZYDUFLEOFQMAG-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C1(C)CCCCCC1	2000370590	DECLYLYNLXXWSA-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C1(C(C)C)CCC1	2000389817	HTHYDCIKDGKVQD-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CCCC1CC1)CNC(C)C	2000508534	JUJIJNCBEWRZSN-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@H]1CC12CCCC2	2001265073	JNUVTXBSIREHTP-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@](C)(O)[C@H]1CCCC(C)(C)C1	2003018822	LEGRQAGXRDQBAK-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCC1(CC)CCC(O)(C2CC(C)(C)C2)CC1	2004352463	LOQXIWUXHIFUMT-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H](O)[C@@H](CC2(C)CCCCC2)CC1	2009407213	LUXUHGLUFBOUFB-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@H](CC1CC(C)C1)NCCC	2009618178	ZSRAYJVUKNOFPX-GUYZCGGBSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H]1CCC(C)(C)C[C@H]1NCC	2009618786	FLGQLKKKWNGGON-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H]1NCCC1(CC(C)C)CC(C)C	2009769270	FXNFQCOOQPSZNT-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCN[C@H](CC)CC1CCCCC1	2011437603	HRUHBUMIYYYFPE-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](N[C@H](CC)CCC(C)C)[C@H]1CC1(C)C	2013323431	WMVVZJXFCZNJFK-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](C)c1cc(C2=CCCCCC2)cs1	2013609056	WQNUCBSQDIVOHC-GFCCVEGCSA-N	249.423	4.766	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@H](C)C(C)C	2015276370	XQLLECZEJUVZJV-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(CC[C@@H]1CCCCC[C@@H]1O)C(C)C	2015347341	PFDBMBRIUYMAGS-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@H]2CCC2(C)C)CCC1	2015597891	MKXRJLNJOYJTCL-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@](C)(O)CC2CCCC2)CCC1	2015633235	FZYUQNRKBWRSEC-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@]2(O)CC[C@@H](C)[C@@H](C)C2)CCC1	2015639005	BFNMJWVHNSLRIZ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@H](C)CC(C)(C)C)CC1	2015761456	XRLCARAZCHOGRB-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@]1(C)C[C@@H]1C	2016410096	HBPUIDGAOWFZMI-BBRMVZONSA-N	232.367	4.543	0	10	BJAE	
CC[C@@H](C(=O)CC1(C(C)(C)C)CCC1)C(C)C	2017123460	AXOCESIKKLKNDL-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CC[C@@](C)(NCCC2CCCCCC2)C1	2017867295	DPNSWGZRYHUWQH-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@@H](C)c1ccccc1	2019108755	RNEDSCOAZDCTCZ-CABCVRRESA-N	233.399	4.504	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CCCC1CCC1	2019183923	CGPOIVULDPAMTB-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CC=C(CC)[C@H](C[C@@H](CC)C(C)(C)C)NCC	2020970951	FIZWKIKJAVNAAK-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCC[C@H]2CCCC[C@H]21	2022994275	PXKGOEFUIGMTRA-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2CCCC(C)(C)C2)CC1	2024093317	AMJJCYPQXDPGGW-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(O)C[C@@H]1CCCC(C)(C)C1	2024128815	PUXBRHBUPCPFEB-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)c1ccccc1	2026162284	AXIKWMOUZPPBTC-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
Cc1cccc(C)c1N[C@H]1CCC12CCCCC2	2026876102	HPHRPOPJJHZWJX-HNNXBMFYSA-N	243.394	4.828	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)CCC2(C)CC2)c1C	2027725739	KUJACGIDHWOECX-OAHLLOKOSA-N	246.394	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@@H]1CC2CCC1CC2	2027815641	OTDNVEOHMQYVQO-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CCCC2(C)CC2)cc1	2027832014	JYLPVYWYORUVIN-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)CC1(C)CCCCC1	2027884445	BHPYQXSJHUNFAY-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1ccc(C(C)C)cc1	2028236062	VZVMAYDIQZYUOB-SJORKVTESA-N	248.410	4.916	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NCC)c1ccc(C)cc1	2028265030	QMBBJJHOBPSUBB-DLBZAZTESA-N	247.426	4.718	0	10	BJAE	
C[C@@H](C[C@H](N)c1cccc(C2CC2)c1)C(C)(C)C	2028553166	WLLBQVWTGNQXTJ-LRDDRELGSA-N	245.410	4.636	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@H]1CC(C)(C)CC2(CC2)C1	2030287718	JVLSSGYWAFCJPF-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)CCC1=CCCCC1	2032305456	ICTVSGCHHPXBLP-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1C[C@H]2CC[C@H](C1)C2	2033093026	FQISEKIESOGAAH-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1CN[C@@H]1CCCC2(CCCC2)C1	2034364193	RCBCXLVXJGFACP-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@H](Nc1ccccc1F)C2	2036664268	JICAYFFYCCEHKK-DVOMOZLQSA-N	247.357	4.597	0	10	BJAE	
CN(C1CCCCC1)[C@@H]1CCC2(CCCCC2)C1	2036771255	MQGSNDQPMOIXLB-MRXNPFEDSA-N	249.442	4.754	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)c1ccccc1C1CC1	2037106303	CUPLABBHTKGJSE-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CC[C@@H]2C[C@H]2C1)C1CCCC1	2037132688	NEXMXWVHELUUOX-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCCC1CC1)CC12CCC(CC1)C2	2039420163	KPAKBPQXKCUGKD-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1C=CCCCC1)C1CCC(C)(C)CC1	2040636535	SBISJXYZUVRRTG-GOEBONIOSA-N	249.442	4.680	0	10	BJAE	
CC[C@@](N)(C[C@H]1CC12CC2)C1CCC(C)(C)CC1	2040647288	LITFKZPSLUHJAY-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2ccccc2C)CC1	2041383515	OIOXLZLELWKRAX-GJZGRUSLSA-N	244.378	4.784	0	10	BJAE	
CC1CCC(N(C)C[C@@H]2CCC=CCCC2)CC1	2045314668	MMOCGFPBAXNJBU-AQFXKWCLSA-N	249.442	4.633	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1CC[C@@H]2C[C@H]2C1	2045315590	VVLILDUSMFGZCK-FPCVCCKLSA-N	246.394	4.518	0	10	BJAE	
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C[C@H]1CCCCC[C@H]1NC[C@@]12CCCC[C@@H]1CC2	2313338775	XYJANWLSJAJUDD-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CCCCN(C1CCC1)C(CC1CC1)CC1CC1	2313605345	XGVSPRRPSHYBQV-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2313628949	NNRWPTQZBMXUMR-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
CC(=CC=C[C@@H]1CNC(C)(C)C1)CCCC(C)C	2316556441	FRBZWGLYPOBWPP-INIZCTEOSA-N	249.442	4.703	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317159868	XRFOCSJHBUEWPV-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@H](N)CCC2=CCCCC2)CC1	2317907982	UYIDWUNNUPZQCK-MRXNPFEDSA-N	247.426	4.731	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H]1CCNc2ccc(F)cc21	2317951487	URELPHZRUBGYTB-OUCADQQQSA-N	249.373	4.653	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@H]1CC=CCC1	2317973972	GKKHFIYNGOVPTQ-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCN(CCCC1=CCCCC1)c1ccccc1	2318594086	BPZXDKAVRVONCQ-UHFFFAOYSA-N	243.394	4.794	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)C23CCC(CC2)CC3)C1	2319124821	XCRWZQOSXPBFEU-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2CCC(C)(C)C2)C=CCC1	2319289747	XLORCYFSMUXLIW-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@@H](N)CCCC2(C)CC2)c1	2320521438	QFJXNYGVBGCKJK-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC(C)CC12CC([C@](C)(N)C3(C)CCCC3)(C1)C2	2321585251	WFMLGBDXBHPOJQ-KLAILNCOSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@H]1CCC(C)(C)C1)C1(C)CC=CC1	2321605921	QGYJWQSTQUALQN-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCNC3(CCC3)C2)C1	2321631033	MEEXWWHJANUENA-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCCCCc1ccc(C(=O)[C@@H]2C[C@@H]2C)cc1	2327895322	ATBZOFBKRVHUMA-XJKSGUPXSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](c1ccc([C@H](C)CC)cc1)C1CC1	35580679	SDYLGGWTZFZQJX-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1csc2ccccc12	54402718	ZMWRSQOGPNDXLW-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CCCCC(=O)c1ccc(SCCC)cc1	58015995	IGDKVHIVLZKBRU-UHFFFAOYSA-N	236.380	4.562	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](CC)CCCC	68986605	KFVZCAHBOMVRPQ-GJZGRUSLSA-N	227.436	4.904	0	10	BJAE	
C[C@H](CCCCCNC(C)(C)C)c1ccccc1	78782953	JSUVAEVLTFMLDX-OAHLLOKOSA-N	247.426	4.739	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCC[C@@H](C2CC2)C1	81637736	LOGUOYVTTXPXHQ-ZIAGYGMSSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC(C)(C)C[C@H](C)NC	82816740	DIGMSMKSHOLUIJ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](N)c2ccc(C(C)C)cc2)C1	88017257	HVFCUXYIEXQIBH-KBRIMQKVSA-N	245.410	4.636	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CC(C)C)CCCN1	91446507	WFOPKFBTOFOGLK-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CSc1ccc(N[C@H]2CCCCC2(C)C)cc1	94273664	DGEVHUQTHMEJTG-AWEZNQCLSA-N	249.423	4.789	0	10	BJAE	
CCCC(CCC)NCc1ccc(C(C)C)cc1	109941950	YXMHRCVMMMLJFC-UHFFFAOYSA-N	247.426	4.868	0	10	BJAE	
CCCC[C@H](CC)C(=O)Cc1ccc(C)c(C)c1	113079611	HNVWJXMHQBXSNW-INIZCTEOSA-N	246.394	4.631	0	10	BJAE	
CCc1ccc([C@@H](CC)N[C@H](C)C(C)(C)C)cc1	122628553	RIWJRNFIDCEQLU-CZUORRHYSA-N	247.426	4.724	0	10	BJAE	
CC(C)CCC[C@H](CNC(C)C)C1CCCC1	128282968	YFYYNZMUHIFDDM-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
c1ccc2c(c1)C[C@H](c1ccc(C3CCC3)cc1)N2	133450526	XLSPJPDXXWKVOA-GOSISDBHSA-N	249.357	4.663	0	10	BJAE	
Cc1ccc(Sc2cc(Cl)ncc2C)cc1	133741027	WQQCKYKXGRHMFL-UHFFFAOYSA-N	249.766	4.503	0	10	BJAE	
CC(C)CCCCNC1CCC(C(C)C)CC1	134279746	GUTNBMPVKVVKQW-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)([C@@H]1CC=CCC1)[C@H]1CC=CCC1	135645642	JVAZARKLIFENBH-OKILXGFUSA-N	204.357	4.725	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCCCCCC1	158861345	XLTJNZZIAQDLAL-BMFZPTHFSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H]1CCC[C@H](C)C1	161328049	DOSUIGZIMIWXCI-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCCC(C)C)c1ccc(CC)cc1	165807054	GXYLUKGIIABREZ-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCCC1CCC(CN)(CCCC(C)C)CC1	166253322	CEZFQTFAYNGZFJ-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C1CCCCC1	168043996	WEPQRYFAFNFIQX-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](N)C1(CC(C)C)CCCC1	229171944	IFQGZHHYWXBOIE-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1ccc(Cl)c(C)c1	229272925	PATWOVHNGVTGDA-IINYFYTJSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1ccoc1Cl	232992099	ICGQNPGTXOZKNZ-JQWIXIFHSA-N	244.762	4.573	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)C1(C)CCCCC1	233922204	ODZDJWWLOUWEDK-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
C[C@H](c1c[nH]c2c(Cl)cccc12)C(C)(C)C	235535570	LBDCBMMCUINKQG-SECBINFHSA-N	235.758	4.971	0	10	BJAE	
C=C1CC=CC(C)(C)CC=C(C)CC[C@@H]1C(C)=O	267331201	YRFMWVJKSSLTAZ-INIZCTEOSA-N	246.394	4.851	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@@H]2CCCCC[C@H]2C)C1	300079535	VHCFVOJGGFAYIZ-PQEBFOHHSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1CCC1CCCCC1	302282402	VCUWMNHWRANRGI-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](CCCC(C)(C)C)C1	302289175	KVBVBUNIUYWMPP-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](C)(CCCC(C)(C)C)CNCC(C)C	302352678	WRZZJTVOLNFHNS-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NCC1CCCCCCC1	305912173	IVYABKPDPBWLJB-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)NCC/C=C\CC1CCC(C)(C)CC1	310117667	HLWCHFFCMGFPAQ-WAYWQWQTSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(CN)CCCCCC1	310198107	ZQPSTRSQYBFLIE-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2CCC[C@@H](C)C2)CC1	310388324	IISZFJLKCHTNBG-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C(=O)c2cc(CC)ccc2CC)CC1	310627178	KGNPPWVALYGCJL-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC[C@H](N[C@H](C)C1CCCC1)c1cccc(C)c1	310797695	SGVFJOREVPKCST-PBHICJAKSA-N	245.410	4.614	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)c1ccccc1CC	310880054	VOGQPRWCNANYHC-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CC[C@H](N[C@H]2CCCC23CCCCC3)C1	313038137	IPTONXHEMQCSCL-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC(C)=CC[C@@]1(CNC(C)(C)C)CCC[C@@H]1C	318241518	LQFBVJJFLYCTQQ-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C(C)(C)C1CCC1	322085764	DBRPROHNGPSTDO-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](CC)CCCC/C=C/c1ccccc1	324225545	ZOARYKVFTCNPTI-FWVUHSSSSA-N	245.410	4.648	0	10	BJAE	
CC(C)[C@@H](N[C@H]1CCC12CCCCC2)C1CCC1	324786308	JZCHUDYTOPSFLO-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CC(C)CC[C@@](O)(CC1(C)CCCC1)C1CC1	379913548	NNZLBBPPIIITSM-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCC1(CSc2cccc(C(C)=O)c2)CCC1	383647837	GVRAOHBEGZQDPJ-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CN[C@@H](CC1CCCCC1)CC1(C)CCCC1	383830374	XQTMJUGFNBLAGB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](C)CC(C)(C)C[C@H](C)C1CCCCC1	383992103	LSLRHRYOHVLSJZ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)C(C)(C)CC	386411352	YBBNUPKLQWJGLR-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
C[C@@H]1CCC[C@H](CNc2ccsc2Cl)C1	387201832	HTPMKRZTVPCOFC-ZJUUUORDSA-N	243.803	4.640	0	10	BJAE	
CC/C(=C\[C@@H]1CCCC[C@H]1C)CNC(C)(C)C	394773132	BAKIYZMSEDXGAN-RFHWTAPTSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)CNc1cc(C)ccc1C	395140818	YFRPZOBVPCWHHM-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NCCCC1CCCCC1	395174035	NYQPLNXSAPHNSD-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)[C@H]1CC1(C)C	397618774	RDZXNDFSFUEWRG-TZMCWYRMSA-N	231.383	4.657	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H](C)C(C)(C)C	399126071	OKVUIBUQNVNPTA-QWHCGFSZSA-N	226.404	4.844	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1C)[C@H](C)C(C)(C)C	399171563	LNQGFPZDDBBCOZ-GOEBONIOSA-N	247.426	4.636	0	10	BJAE	
CCC[C@@H](c1nc2c(C)ccc(C)c2[nH]1)C(C)C	587954908	HRWDWNRCDVIGKV-CYBMUJFWSA-N	244.382	4.719	0	10	BJAE	
CCC(CC)(CC)NCC(C)(C)c1ccccc1	686661614	ZRMASWYGZDCAAW-UHFFFAOYSA-N	247.426	4.523	0	10	BJAE	
N[C@H](CCCC1CCC1)CCC1CCCCC1	688358441	KNFFSPRJAFBLPM-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](C)CNc1cccc(SCC)c1	689695108	PQAKSVAQXNOXPP-GFCCVEGCSA-N	237.412	4.647	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1cccc(C2CC2)c1	690075704	KNTQJONZIPPOPL-SUMWQHHRSA-N	243.394	4.945	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2cccc(C3CC3)c2)C[C@H]1C	690076818	QQARWWVYNSXOAW-XNJGSVPQSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC1(CC)CCC1	691189574	UNFDMXSZBYJJGA-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](N[C@H]1CCC12CCCC2)[C@@H]1CC1(C)C	693788463	QCPNVAORBLLXRH-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H](C)c1cccc(C)c1	695058694	FNFAPHHCEHLSSR-WBVHZDCISA-N	247.426	4.513	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@@H]1CC1(C)C	696561615	OIKFXSSQKUFUSE-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@](C)(CCC(C)(C)CC)C(C)C	696679313	RYRKLYQZXGUUET-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCN[C@@H](c1ccc(C)s1)C(C)(CC)CC	701137650	TUETVTLOENNOKY-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@H]1CCCC[C@H](C(C)(CC)CC)C1	701154018	VBLGJBHNCLTICY-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C1CC(C)(C)C1	701458880	OERPXYVUQCHWAX-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(N)c1ccc(C)c2ccccc12	704866385	LMMRKGXVBNFVDY-QGZVFWFLSA-N	241.378	4.512	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC1(C)CCCC1	704959669	VSWJJONXCHQZTK-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C)C1(C[C@H](C)CC(C)(C)C)CC1	709106043	VGQZHWHLLFFCRT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@H]2CC(C)(C)CC[C@@H]2C)c1	713013477	GPTGCQLCXBNVBP-ZFWWWQNUSA-N	231.383	4.622	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CC(C)(C)C(C)C)cc1C	713181095	DJLHDLPGLACXBN-INIZCTEOSA-N	248.410	4.718	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CC(C)(C)CC	713217145	JTWFLULTQSDVDM-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
C=C/C=C\CCN[C@@H]1CCC[C@H](C(C)(C)C)CC1	713499684	SRHUHPATIFNKFT-SHUKXNKTSA-N	249.442	4.703	0	10	BJAE	
CC/C=C/C[C@@H](CCC)c1ccccc1	714556823	CKJYVWUWPPHECC-HZRUHFOJSA-N	202.341	4.927	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)c1cc(C)co1	718473428	OSAMNIQUMKMVOM-OAHLLOKOSA-N	249.398	4.765	0	10	BJAE	
c1cc(C2CCC2)ccc1NCCCCC1CC1	720116003	DDYHUPMCOXQKKA-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC3(CC3)C2)c1	723569388	RDEOVUWVRZCTFW-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC1CC(C)(C)C1	723579033	OKZHSSOLNFCCGK-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
C1=C[C@H](N2CCCCC23CCCCCC3)CCC1	1460958890	OQWBFVYPGULGPO-INIZCTEOSA-N	247.426	4.674	0	10	BJAE	
CC1(CNCC2(C)CCC3(CC2)CC3)CCCC1	1875731313	DRLATMDPQUVJNX-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@](C)(O)CCC=C(C)CCCC(C)C	1900903541	PAHXSKWYYKQJMJ-OAHLLOKOSA-N	226.404	4.700	0	10	BJAE	
CCCC[C@](CC)(CO)C[C@@H](CC)CCC	1905386038	DGGHRFRTZKLRSW-GJZGRUSLSA-N	228.420	4.782	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)C[C@@H](C)CC	1908553472	AVFDCTWRLJFQED-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@H]1C1CCCCCC1	1910684697	GQGDFILTEXPFOF-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1CCC2(CCCC2)C1	1916403614	YNCZOJLRHJSNAA-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@@](N)(c1cccs1)C(C)C	1919516486	VNXGMKCOBWPTFC-AWEZNQCLSA-N	239.428	4.529	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C1CC(CCC)C1	1921177944	YUOWRFQONCOEFX-PREGVCBESA-N	245.410	4.554	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@H]1CCCC12CCC2	1921595531	PPVMAGAAFLWAGX-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@@]1(C[C@@H]2C=CCCCC2)CC1(C)C	1925757424	NCFOXGSOHMWQOU-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCC1(C(=O)[C@@H](C)CCC(C)C)CCCC1	1937171026	YBLGBAVOQOQDOK-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](O)CC[C@@H](C)C1CCCCC1	1939133972	KLSAONSDELDOFI-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCNC[C@@H](CC1(C)CCCCC1)C(C)C	1940406113	KLBVKBAYHFELDY-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3CC[C@H]32)c2sccc2c1	1941024545	JVNRYMVQDLNMTJ-RAIGVLPGSA-N	243.375	4.502	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H](CC)C(C)C	1941264931	UHGNKSDHCJXUSN-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC1CCC=CCC1	1941824722	BTCUJDJNVRMXQO-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](CNCCCC1CCCCC1)C(C)C	1941934222	IWZGDUFEIXIDRM-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H]([C@@H](C)CCC(C)C)[C@@H](CC)C(C)C	1942655069	GBJRVYWLFOSEPK-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@]1(C)C=CCCC1	1943135369	JSSQMXUAIDWRNX-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)[C@H](NC)c1cccc2sccc12	1945970129	LDKMOLQKIYWXAK-HNNXBMFYSA-N	247.407	4.598	0	10	BJAE	
C1=C[C@H](NC2CCCCCCCCC2)CCC1	1947868163	YNDFTAXBSXQYEG-INIZCTEOSA-N	235.415	4.578	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CC1(C)CCCC1	1948982161	KRFCNBCFAPBNPU-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CC2CCC=CCC2)s1	1949080227	LHRYRJOVYJNFHB-AWEZNQCLSA-N	249.423	4.501	0	10	BJAE	
CCCN[C@H](CC)C[C@H]1CCC2(CCCC2)C1	1949553197	XAEXFJVQEZGMOC-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)(C)[C@H](O)C1	1949678493	LWECEWBJURUQGH-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCCC2(CCC2)C1	1969176452	HKVZGGPQDKTLQH-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)CN(C)[C@@H]1CCCCC1(C)C	1970180770	JIXBYKRMDTWYNQ-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
C[C@H](NC1CCC2(CCCCC2)CC1)[C@@H]1C[C@H]1C	1970898364	VSLSGDMHTXUYSO-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(CNc2cccc(C3(C)CC3)c2)C1	1973398047	LTNANEHPYQDBNE-UHFFFAOYSA-N	243.394	4.586	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCCCC(F)(F)C1	1974283502	DPBHMJKGOMFVIQ-CHWSQXEVSA-N	247.373	4.513	0	10	BJAE	
C/C=C/CCCOc1ccc(C(C)C)cc1	1984579482	MBFGXUZABFNWER-SNAWJCMRSA-N	218.340	4.545	0	10	BJAE	
CCC(C)(C)CC[C@](N)(CC)CCC(C)C	1986938910	QJNMXJXGQSNJQZ-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)CC(C)=C(C)C	1989655627	RSBHCMUAKZDKTQ-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1CC(CC)C1	1990092023	UHPMOKVWWMCPED-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCC1CCC1	1995262897	PQKJAKCMPWNZGL-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCC[C@H]1c1nc(C2CCCC2)cs1	1995497064	VSMIXQMITXQDRK-CMPLNLGQSA-N	235.396	4.704	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2(C)CCCCC2)cc1	1995987294	JGBFRPGTGPADOO-AWEZNQCLSA-N	231.383	4.766	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CCC1CCC1)NC	1998029017	AOWALGPKVBXTML-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC1=CCCCC1)NCCCC(C)(C)C	1998379162	BKTNDWBYMNJBFG-CQSZACIVSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCC2(CCC2)C1	1998696575	QCZQABHAXHIPOG-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@@H](C)CC(C)C)C1	2000189719	BITAXSTZAHWNKJ-KCQAQPDRSA-N	236.399	4.620	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1	2000214887	KLLSMKUQKZANBK-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CN[C@H](CCC=C(C)C)C1(C)CCCCCC1	2000319284	HXZBLUPPBSPGJA-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)CC1(C)CCC1	2000524103	VNIVKYZSVNNPCG-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC1(C(=O)C2CC(C(C)(C)C)C2)CCCCC1	2002321888	RSWIKOCXFHIFGB-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)CN(C)[C@H](C)[C@H]1CCCC(C)(C)C1	2002976953	RSANQLRSWULKAS-ZNMIVQPWSA-N	239.447	4.569	0	10	BJAE	
C[C@@H](CC(C)(C)C)NC1CCCCCCCC1	2003096623	YVMWHGAJVYQMFC-AWEZNQCLSA-N	239.447	4.904	0	10	BJAE	
C[C@H](C[C@H](O)[C@H]1CC[C@H](C)CC1)CC(C)(C)C	2003098581	GXQMPSDJZRIYMD-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CN[C@H]1CCCCCC[C@@H]1CCCC(C)(C)C	2003102738	YVWIIEMSTHIMPB-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@@H](N)CCC(C)(C)C2CC2)CCCC1	2003173720	BXCLAWQXKVNVAR-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1CCC2(CC2)C1	2003200620	YWBDSURSFAAWLR-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCC1(C)CCC(N)(CC2CCCCC2)CC1	2004342949	XONACEPMUODNKD-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@@H](CCC(C)(C)C)C1	2006623281	IENOBDOHJGYKAY-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1C[C@H](CC(C)(C)C)C[C@@H](CC)C1	2006627860	NPOCIHCYASPXHD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@H](C)[C@@H](NCCC)C1	2009615780	BWDHQQIKTJRJRG-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H]1C[C@@H](NCC)C[C@H](CC)C1	2009617253	QMIMJNKGSPLZGQ-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H](C)C1CCC1	2009629522	SUIUFXBOYKYCGG-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N[C@H](C)CC(C)(C)C)C1	2009713526	BMXGNFKGVZLKBQ-WLYUNCDWSA-N	239.447	4.760	0	10	BJAE	
CCCCCC1CC(O)(C[C@H]2CC[C@@H](C)C2)C1	2009718775	CDKZFFYJKQYFGK-QVOMUQBLSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC[C@]12CCC[C@@H]1C2	2011023588	ZPNKKMAXCSYFQJ-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(NCCC[C@H]2C[C@@H]2C)c1	2011582457	AYTKFNYDQWJQGI-ZFWWWQNUSA-N	231.383	4.658	0	10	BJAE	
CC(C)C(CCC(=O)C[C@H](C)C(F)F)C(C)C	2015387732	KWCGPBIIROVJLZ-NSHDSACASA-N	248.357	4.555	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@H]1C[C@H](C)C(C)C	2015408870	MLSTXOXWYKXERQ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)c1sccc1C1CC1	2016115182	PLIVJIOJUKGLNQ-OAHLLOKOSA-N	249.423	4.546	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1CCCCCC1	2017485324	DXXRHOGFHAYLLN-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@H]1CC[C@H](CC)CC1	2017774351	NLWYNGCIDSVQIA-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCC1(CC(=O)C2(C)CCCCCCC2)CC1	2018920538	DHULTBOJIYWGOA-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N(C)C1CCCCCC1	2019197907	FCMZNPAVAKLFLF-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)CCC1=CCCCC1	2019778752	OKNMPOYFRQYABV-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCN(CCC(C)=C(C)C)C1CCCCCC1	2020500781	GKQJDHLODSYOMX-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1ccccc1C1CCC1	2021027046	NRQBBAYNJDIYND-DOMZBBRYSA-N	229.367	4.555	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)C[C@H]1CC[C@H](CC)CC1	2022416432	CNOXVNYATUYTDI-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1ccc(C(C)C)cc1	2022493056	OKZZHBYYVUKVPY-HUUCEWRRSA-N	231.383	4.658	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2C[C@@H]2CCC)CC1	2022501601	JNQUGBHHUFUBSM-PWUWZPNHSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CC=C(C)C)C[C@@H]1CCCC(C)(C)C1	2024091680	KJOXZBOHLQYKHN-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@](O)(CC1CC1)C[C@H]1CCCC(C)(C)C1	2024123580	MEJVHVFNJPGOOG-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@H](NC(CC(C)C)CC(C)C)C1	2025587963	SMDWPSREZZMPET-CABCVRRESA-N	239.447	4.616	0	10	BJAE	
CC1(CCC[C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1	2027831232	GROBEMVBXISQFS-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@]1(C)Nc2cc(CC)ccc2O1	2027999619	QNIUNQNLPKNKPM-MRXNPFEDSA-N	247.382	4.740	0	10	BJAE	
N[C@@H](CC1CCC1)c1ccc(C2CCCC2)cc1	2031749905	NAKAJAANSMCHOS-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC[C@@H]2CC23CCC3)CC1	2032075903	LORQBSPBKVZCOC-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccc(C3(C)CC3)cc2)C1	2032243459	VOHAJMNUGZRLFX-XJKSGUPXSA-N	243.394	4.729	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCCC2)CCC[C@@H](C)C1	2035597132	BILXKOHTPODAHZ-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C(C2CCC2)C2CCC2)C1	2037679828	UVODDWOXVXNMDN-CQSZACIVSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2CC23CCCCC3)c1	2039059660	WGRTZQUWGUTNAF-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C1(CC)CCC1	2039723465	AYPAPOPQHBJGJX-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NCC12CCC(CC1)C2	2041837385	NHJYSDSJAIZUTK-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@H]1CC=CCC1)C1(C)CCCCCC1	2045736548	WNCUHXLCIHLSHI-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@@H](C2(CNC3CCC3)CCCCC2)C1	2046212402	MYBCQGNOQQBDRT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN(C[C@@H]1C=CCCCC1)[C@@H]1CCCCC1(C)C	2046391513	MTBKIBJSSJKPAH-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@H]1CC12CCCCC2	2047063126	UBRBAHNLCJKEEA-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCCCC=C1CC[C@@H]2CCCN[C@H]2C1	2048081370	LANLCOAKNWJVMT-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048370593	KEPYWVJROLVODS-GQWUXDJYSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCC=CCC1)C1[C@@H]2CCCCC[C@@H]12	2048372496	ZPPOTZXHYAHVCQ-HUUCEWRRSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2[C@H]3CCCC[C@H]32)CC1	2048389625	LHZSTJQDNKWWCR-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2048473311	NOPNKICRSPAOCE-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@]1(C[C@@H]2CCCC3(CC3)C2)CCCN1	2049856908	MDVWAHPCKKGBQW-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@]2(CNC(C)(C)C)CCCC23CC3)CC1	2053362209	WCFVZAYXPRSTCS-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CNC[C@]1(C[C@H]2C=CCCC2)CCCCC1(C)C	2053385166	QUBGXKKJVCITSX-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
C[C@H](NCC1(C)CCC(C)(C)CC1)c1ccco1	2056535364	BKVDCDJOASOUPS-ZDUSSCGKSA-N	249.398	4.537	0	10	BJAE	
CCCC[C@@H](C=C1CC2(CCC(N)CC2)C1)CC	2056618018	ATKNKRSKYHWCMR-OOHWJJMZSA-N	249.442	4.811	0	10	BJAE	
CCC1CC(C[C@H](N)C2(C)CCC3(CC3)CC2)C1	2056650023	CPIOKSCDAAMCNR-NRXISQOPSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1CCC[C@@H]2C[C@@H]12)C[C@@H]1C=CCCCC1	2057358239	QZXZIMQGFMNJKM-DLTWYDFYSA-N	246.394	4.518	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1CC[C@@H]2C[C@H]12)NCCC	2059247920	WMNHOXMYWZAAKI-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CCCC12CCC2	2059253498	RADPCYHBVQCZOO-CFSAUIFESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)C1(C(C)C)CC1	2060923152	WKSUUFSXOSHXRR-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)C2CCCCCC2)CC1	2061089114	RCNKEQLULJGADF-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@](N)(CCC(C)C)C2CC2)CC1	2061113589	PSLWGJFKBAVVMU-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)C1CC(CC)C1	2061138323	VITIYKVKGRAOEQ-VFNXUKNFSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@H](N)C1=CCC(C)(C)CC1	2061151046	PKLWYQSJZHTOEH-ARFHVFGLSA-N	249.442	4.523	0	10	BJAE	
CCC[C@](C)(CC[C@]12CCC[C@H]1C2)CNC1CC1	2061623081	PHYCKOXQOGKTCW-UAGQMJEPSA-N	249.442	4.515	0	10	BJAE	
O[C@H]1CCCCCCC[C@@H]1CC1CC(=C2CC2)C1	2061693224	DRSGYKCBEJQOAF-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C)c1NCC1CC(=C2CCC2)C1	2061720317	HZCYAYYVUZVTSS-UHFFFAOYSA-N	241.378	4.606	0	10	BJAE	
C[C@H]1CCC[C@@](N)(C2CC3(C2)CC(C)(C)C3)CC1	2063800725	TWJNCBQSHLXBJQ-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC([C@H](N)C3(C)CCCCC3)C2)C1	2063805255	ZOGHNBVQVIROEP-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)C1CC2(C1)CC21CCC1)C(C)(C)C	2064122983	ULXYGJKNXUXIDD-SFYCDEOASA-N	248.410	4.598	0	10	BJAE	
C[C@H](Nc1ccc2c(c1)CCC2)C1(C)CCCC1	2067508055	IFKPSAUORVQIGP-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
CCCC1CCC([C@H](N)C[C@@]23CCC[C@H]2C3)CC1	2070963636	QJDVKNRRHBBIND-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@]12CCC[C@@H]1C2)C1(CCC)CC1	2070971656	OFCFCMHLEBEWGA-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2C[C@@H]3CCC[C@H]32)CCC1	2071913387	QQJCVKDXEOLEGZ-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@H]1C)C1=CCCCCC1	2072076930	PYUFXGKMFXGKOA-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1C[C@@H]2CCC[C@H]2C1	2072422815	FFZQLQPLFAKVKJ-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C[C@H]1CC[C@H](C)CC1	2072803795	MABXVMAYXVJXPU-RCBQFDQVSA-N	245.410	4.520	0	10	BJAE	
CCCC1CCC(C[C@@]2(CN)CC23CCC3)CC1	2072806597	NKNZRYVPGFTUEN-DQPZFDDXSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCNC3(CC3)C2)CC1	2072817824	GZLZXHXIZZWTMP-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@]2(N)C=CC[C@H](C)C2)CC1	2072880619	YFUXJULHSGPMMA-OTBWCIGPSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](C=C1CCN[C@H](C2CCC2)C1)CC(C)(C)C	2073772730	STTNAROQOLMJGM-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1[C@H](O)CC1(CCC)CC1	2074622026	SGRRRZDLQPCGIF-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1C(C)=CCC[C@H]1C	2077195484	OCYLTYNXYLIUHN-OIISXLGYSA-N	249.442	4.703	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](N)C1(C)CCC2(CC2)CC1	2079634179	RTAUHIFVZYAWSF-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNC1(C2CCCCC2)CCC1	2079650253	JHKGAKPGQQOXCZ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@](N)(C[C@H]1C[C@H]1C1CCCCC1)C1CCCC1	2079832462	NJNNMJOBNWOLKV-HYVNUMGLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc([C@H](N)C2(C)CCCC2)c1	2083545116	GWRAHSXELABTOU-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CCc1ccccc1	2086044439	NSSXHNKDUCHVAL-WBVHZDCISA-N	248.410	4.587	0	10	BJAE	
C[C@H]1CCC[C@H]1CCC=Cc1ccccc1	2210662465	OVZCTRWUARSEOY-GOEBONIOSA-N	214.352	4.916	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@@H]1CC)C(C)(CC)CC	2215253038	OCJZCGQMGPPIBB-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@@H]1CC)C(CC)CC	2215266825	SKFTWWOQTXMGEF-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H](C)CC(C)C)CC1	2215824913	YMLYPLPBCJJAQJ-HOCLYGCPSA-N	236.399	4.764	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCC[C@H](C(C)(C)C)C1	2216247285	KXHJZAONOGOXDE-NCVJHSOJSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C(C)(C)CCC	2216278402	JXIXDNDADKNGJB-RZIFZGNASA-N	239.447	4.927	0	10	BJAE	
CC1CC([C@H](O)CCCCCCCC2CC2)C1	2216860586	BMLBVQKNTQWEAL-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1C[C@@H](N)CCCCCCCC1CC1	2216884452	VURFCTNOAHGSTJ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC)CCCCC12CCC2	2217131632	YHGQGAXPZFNYEI-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CC(C)C)CC=C(C)CC1	2217154065	QLHOMQZZBTZWJW-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
C(CCCC1CC1)CCNCC[C@@]12CCC[C@@H]1C2	2218729858	DYIFUBRCAKEONF-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C/C=C/c1ccccc1	2219067491	XAULXIMMGORCGU-ZJJGVRJWSA-N	246.394	4.523	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@H]2C=CCCCC2)CC1	2221626166	RJKURUUONZTNES-BBWFWOEESA-N	247.426	4.587	0	10	BJAE	
N[C@@H](C[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCCC1	2222954972	OYCWRIAUWGZREC-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1c(C)cc(O)cc1C	2223336856	YSSTYBQCZGLFIO-BXUZGUMPSA-N	249.398	4.636	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CCCCCC1CC1	2244780237	GEKQIKWPVLCVHB-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CN[C@@H](C)CCCC[C@H](C)CCCC(C)C	2244845451	PHWWAEUGZYIWEI-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC=CCCCC(=O)C[C@H]1CCCCC12CC2	2246614615	MMSCVRBOEHSBIX-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)C(C)(C)C2CC2)C1	2246657708	UUXBVKAAJKYYOE-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC1([C@H](N)CC[C@@H]2CCC[C@@H](C)C2)CCC1	2246660173	NXUBABCGSUUBMC-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC[C@@H]1CCC[C@H](C)C1)CNCC	2246671371	XITDAOFZSHWTEI-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CCC1CC2(CCCC2)C1)NC	2246819599	KFQZZCQBOTZXRN-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C[C@H]1CCC1(C)C)C(C)(CC)CC	2247441472	OTPGOXBYTUSTFY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)CC[C@@H]1CCCC12CC2	2247638638	YDZXJBTXVCLBOY-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
O=C(CCCCC1CC1)c1csc(C2CC2)c1	2248073539	FLDNRVKUESDTCC-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
Cc1sc(C)c([C@@H](N)CC2=CCCCC2)c1C	2248295629	FMUDBUSTWKZWAS-AWEZNQCLSA-N	249.423	4.564	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CCCCC[C@@H]1C[C@H]1C	2248844156	WGUHCXYORONIRD-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)C1=CCCCCCC1	2250355306	KKUZBJFGDSXNHN-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC[C@H](N)C1	2250468426	CYQJYQTZHXBJIG-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@]12CCC[C@H]1CC2	2251175779	ODHOWKGCGTZFGN-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CC1CC2(CCCC2)C1)C1CCCC1	2254110637	XRJFGVNWEGZDHV-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCC1CCCC1)CC1CC2(CCCC2)C1	2254119764	MUZBANUXCPYCOC-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H]1C[C@@H]1C(C)(C)C	2255135724	CWFAJQUEHVFZPI-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C[C@@H]1CCCC12CC2	2255340152	YXEDSJLKJYFTFC-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc(CC(=O)C(C)(C)CCC)cc1	2256320097	ZQFZUUCABUNOSY-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CC(C)C(C)(CN[C@@H](C)c1ccccc1)C(C)C	2256525930	XQMIXGTZFNTUEQ-HNNXBMFYSA-N	247.426	4.656	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC1(C2CC2)CCCC1	2257314535	GSCBDVMTONIJMY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@H]2C[C@](C)(F)C2)c1	2257961947	IRFUZWLBGHSIJM-YGUOUDRMSA-N	249.373	4.534	0	10	BJAE	
CC1(CC(=O)[C@]23CCCC[C@@H]2CC3)CCCCC1	2260547710	QWCRSSGPIMJIHQ-PBHICJAKSA-N	248.410	4.886	0	10	BJAE	
CC(C)(C)[C@]1(C[C@]23CCCC[C@@H]2CC3)CCCN1	2260582865	LQSLBLNPJFVUME-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC[C@]12CCCC[C@H]1CC2)C1CCCCC1	2260610106	BPRKYMPAGXBGHW-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1OC[C@]12CCCC[C@H]1CC2	2260648398	RSXYCRVTILKDHZ-DOTOQJQBSA-N	244.378	4.653	0	10	BJAE	
CCC(C)(C)[C@@H](N)c1cccc(C2CCCC2)c1	2260728119	YLFCJHBJYLVARX-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](N[C@@H]2CCC3(CC3)C2)C1	2261402881	SZUNYZIVJMJUMC-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@@H](C)CC1CCC1	2298850602	IPEBUUBITOYDNC-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1N	2300683870	OBJIHFGOPUCDIN-OAGGEKHMSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@H]1CCc2cc(N)ccc21	2300700454	LYNIFDBAZRHIFC-ZDUSSCGKSA-N	231.383	4.515	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCCC[C@H]1CC	2300705506	FDYVWKBJYACDIP-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
O=C(c1cc(C2CC2)ccc1Cl)C1CCCC1	2301333061	KFBFBNGEINTGSS-UHFFFAOYSA-N	248.753	4.590	0	10	BJAE	
CC(C)C(N)(CCCC1=CCCCC1)C(C)C	2302342199	FLSYPYKRQKUXAN-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H]1CCC(C)(C)C1)NC	2302685216	MKKJXICKUCMBHM-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)CC[C@@H]1CC[C@H]1C1CC1	2303123836	KNYSGWGVBGWLFN-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CC[C@@H]1C(C)(C)C	2303375942	NMKZXTVNSPCDKG-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)COc1ccc2ccccc2c1Cl	2307638030	DKEPOQHTTWMLSH-NSHDSACASA-N	248.753	4.918	0	10	BJAE	
CN[C@@H](CC=C(C)C)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309482899	VFOORELLXJODHV-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCC1	2311525007	WMMKUHWLVXENIH-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@@H]1C[C@H]1C(C)C	2312836938	CAUIHYALDINUIZ-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)CCC[C@@H]2CC[C@@H]21	2313033437	KBSYNWPCLSIMLK-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313342852	TYFRMDMDSUDMAL-HDEZJCGLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316882488	ZMTSXOYSIZUZHK-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCCCCC1)C1CC2(CCCC2)C1	2317003765	KNCNHZZGODWBMY-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](CCC1CCCCCC1)c1ccco1	2317020132	DDDWFFKLVVALQZ-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1CCC2(CC2)C1	2317942951	WTAYFSFCDNTJSD-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
CCc1cccc(CC)c1N[C@H](C)[C@H](C)C(C)C	2317995289	OWFOWZPKSBNDET-ZIAGYGMSSA-N	247.426	4.904	0	10	BJAE	
C[C@@](O)(CCCC1=CCCCC1)[C@H]1CC12CCC2	2318544459	YHFCIGDXDITSSS-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@@H]1CC[C@H]1CCCC1=CCCCC1	2318593939	ZVVADPREHPJUOI-SJORKVTESA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2CC23CCCCC3)C1	2319132138	WHSLRTFVJANKFT-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCC[C@@H]1CC[C@H]1C1CC1)CC1CCCC1	2319736743	HKUCWQMFCOTDDU-DJIMGWMZSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](NCCC2CCCCCC2)CC1	2320238913	ZPBRSFOFQFKFEE-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Cc1cc(C)cc(OC[C@@H]2CC[C@H]2C(C)(C)C)c1	2320254163	PMOLOTKPAVPNPJ-GOEBONIOSA-N	246.394	4.755	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2c(C)cccc2F)CC1	2320420199	NJAQLXGLWMEQNO-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
CCNC[C@@]1(CC[C@H]2CCC(C)(C)C2)C=CCC1	2321628177	PQOJONOPBNXEQZ-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC(C)CC12CC(CC(=O)CC3CCCC3)(C1)C2	2321639021	HCBAYZKEQPARAI-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC(N)(CCC)c1cc(C)ccc1C(C)C	2327656993	HKLNKTMZXIPFPK-UHFFFAOYSA-N	247.426	4.873	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)C2(C)CCCC2)c1	2327676526	YFJAAKYRCLYQES-INIZCTEOSA-N	246.394	4.732	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@H]2CC=CCC2)c1	2327708754	RTDAHIKPAGVMKD-YOEHRIQHSA-N	244.378	4.508	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1C)c1ccccc1	20552350	MIKVWIPBDCLYII-MRXNPFEDSA-N	239.362	4.867	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc2c(c1)CCC2	21032433	VUONIABVDUSBQK-ZDUSSCGKSA-N	231.383	4.556	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)c1ccc(C)cc1C	36792367	VCWLGHWVASOMOM-HOTGVXAUSA-N	247.426	4.923	0	10	BJAE	
CCCC(=O)CCCc1ccc(C(C)(C)C)cc1	41298236	SHLRTEKHRYFQIX-UHFFFAOYSA-N	246.394	4.676	0	10	BJAE	
CC(C)c1ccc2oc(C3CCCCC3)nc2c1	62533902	SURBHPJNULEPSM-UHFFFAOYSA-N	243.350	4.999	0	10	BJAE	
CCCCC[C@](C)(CCC)CNC(C)(C)C	82441812	TYAAHWSSXNPGLS-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)c1ccc(CCC)cc1	84400396	NOVXSGOASQPKEG-LSDHHAIUSA-N	247.426	4.521	0	10	BJAE	
Cc1ccc([C@@H](O)C2CCCCCCC2)cc1C	86580992	GAMKGYGLIYAWFW-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)C1(CC)CCCC1	94900991	ORAPJHKJWPYAMA-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc2oc([C@H](N)CCCC(C)C)cc2c1	97384802	KQHMCQMRGXKTFA-CQSZACIVSA-N	245.366	4.567	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O	109655069	QJBYYSGPYXYPRY-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@@H](C)CC(C)(C)C	124237542	ZMOYUAGQWRIOFG-TZMCWYRMSA-N	228.420	4.636	0	10	BJAE	
Cc1cc(C)c([C@H](O)C[C@H](C)C(C)(C)C)cc1C	125399193	XBUKLMKVPPRALC-GOEBONIOSA-N	248.410	4.718	0	10	BJAE	
CCCC[C@H](NCC)c1cc2cc(C)ccc2o1	127311121	QGNYKUMADKHXJB-AWEZNQCLSA-N	245.366	4.582	0	10	BJAE	
CCCC[C@](CC)(CNC(C)(C)C)C1CCC1	127806286	WPQRUTZEUKQSRD-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC(CC)CC)c1sccc1C	133366493	MTZLGHSUSAFBHI-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCCC2CCC2)CC1	133961454	ZGASPYGLDHPCFT-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@H]1NC1CCCCCC1	155837490	LDHWBTKPVSLIQL-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
O[C@H](CC1CCCC1)c1ccccc1C1CCC1	160021039	RRKAUIQOBGTKLA-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
Cc1ccc([C@@H](C)NC[C@H](C)C(C)(C)C)cc1C	162607530	DWONTKPQWIYLIW-LSDHHAIUSA-N	247.426	4.636	0	10	BJAE	
O=C(c1cccs1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	167653859	DJUKISLWCXKFMZ-YNEHKIRRSA-N	248.391	4.537	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cccc(C)c1Cl	168036825	REFYSADPHDGQIH-JTQLQIEISA-N	238.758	4.657	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1(C)CCCC1	168916185	PXCVTQXTQWGFCF-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
C[C@H](C[C@@H](N)C1=CCCCCC1)CC(C)(C)C	203419726	QKPHUEJMHFSZIX-UKRRQHHQSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CC2CCCCC2)C1	203570121	PRIXHVQALQAIQT-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)c2c(C)cccc2C)C1	215916995	IGRSKQOUSAQEPS-INMHGKMJSA-N	246.394	4.553	0	10	BJAE	
CCCC(CCC)C(=O)CCCC(F)(F)F	229362803	OXDGUGXVJLLGOD-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)c1cc(C)cc(C)c1	229489467	AGUMADMIWDKQIK-GUYCJALGSA-N	247.426	4.780	0	10	BJAE	
CC1(C)CCC(O)(C2=CCCCCCC2)CC1	232805623	HCBSEQRQLWXRCV-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC([C@@H](N)C2(C)CCCCC2)CC1	232901559	VHOFJBNHXLUGLJ-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](C)Nc1nccc2occc12	232961153	MNDZANPIFSTRFR-GFCCVEGCSA-N	246.354	4.599	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	252898190	FLKFZAOCHAIQOX-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CC(C)=C[C@H](C)C1	300015717	IUYVSRFAWMPYTE-CWRNSKLLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cccc(CC(C)C)c1	302297148	DMKNPZORMMQPMZ-CQSZACIVSA-N	246.394	4.894	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@@H](C)C(C)C	305924633	NABCYWGWIHFNBH-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)C)C1CCCCCC1	306000029	UYIBFAZPDYTAMW-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](NC)c1cc(C)cc(C)c1	308077258	WQWHWSDPEOPPCA-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)CC1CCC1	309990844	OFCSXJRHAXSYIM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H](NC)c1ccccc1CC	310794542	CACXCYMOTWAPPW-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CC(C)CC[C@@](C)(O)c1ccc(C(C)(C)C)cc1	311003319	OZBUUNGHLGNVTF-QGZVFWFLSA-N	248.410	4.628	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H]2CC3CCC2CC3)C1	311180529	XMFYQSNGLZOTBX-JEXVJZPNSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1ccc2ccccc2c1	319283181	DVTRUYBEZVROOX-GDZNZVCISA-N	242.362	4.555	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCC/C=C/c1ccccc1	323790625	DKRABCMGBLKELB-KIIBNJGVSA-N	245.410	4.504	0	10	BJAE	
CCC[C@H](CCCC/C=C/c1ccccc1)NC	324219649	YRCYSMWMYYHVPU-SNQZOLJRSA-N	245.410	4.648	0	10	BJAE	
CC1(C)CCC(N[C@H]2CCCC23CCCC3)CC1	328238190	GOVZGQOURFKOSG-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
O=C(CCC1CCCC1)c1csc(Cl)c1	382069934	FQGNLWQSQSANIV-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCC(CC)[C@H](C)NCC1CCCCCCC1	382678022	ABZLDYNBQVYKQL-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2nc3cccc(Cl)c3[nH]2)C1	383554669	QUHQFHIDBLHSAK-NXEZZACHSA-N	248.757	4.510	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@H]1CCC[C@H](C)C1	383688345	QBQOJBUUUWXDPZ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C[C@@](C)(O)C2CCCC2)CC1	387492145	ZLEBXPWCQJHNNS-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@H]1CC[C@H](CC)CC1	392971603	VGJKQQMQMHRBQG-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C/C(=C\CCNC(C)C)C[C@H](C)c1ccccc1	395002084	GDDUPZNLHPNANR-LRQZKABGSA-N	245.410	4.515	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H]1CCCC[C@@H]1C	395047162	PCUWPILLYIZLFQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)(c1ccc(C(C)C)cc1)C(C)(C)C	395326070	WTRGMQBGLXLMKS-QGZVFWFLSA-N	248.410	4.844	0	10	BJAE	
COc1cc2scc(Cl)c2cc1C(F)F	396288274	LWFJEUHDKKMAAZ-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC(C1CC1)C1CC1	400844934	UPWQVVMRSLYHLH-DOMZBBRYSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](NCC(C)C)[C@H](C)c1ccccc1	405573827	XFNGSMFVKLINKZ-WBVHZDCISA-N	247.426	4.595	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H](CC)CC(F)F	688731605	SNMPXNRPHXSGGQ-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccc(C3CC3)cc2)CC1	690101528	CWFIDVLPHOCNQD-CZUORRHYSA-N	243.394	4.945	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)C2CC3(CCC3)C2)CC1	691880122	UHXGQOUNSMNLAV-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC(=O)C1CCC(c2ccccc2)CC1	695073205	KLGHDUGYISSOLT-UHFFFAOYSA-N	244.378	4.576	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1ccc(Cl)s1	696561403	PFYQBKBSACFTBX-VIFPVBQESA-N	246.803	4.651	0	10	BJAE	
CC(C)=CCC[C@H](O)[C@@]1(C)CC[C@H](C)C1(C)C	697596291	BANDTUAFYVIUOR-OFQRWUPVSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1ccc(F)c(C)c1	697771583	LYBWCBONVYVVDX-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCC(C)(C)[C@@H](O)C1CCC(C(C)(C)C)CC1	700945275	XKELAPJUKWFHHI-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H]([C@@H](C)c1ccccc1)C(C)(C)CC	701150109	GHTZFLPURFKQLE-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)C(C)(C)CC	701537750	BVPPITAQNLPWEJ-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
CC(C)NC[C@]1(CCCC(C)(C)C)CC1(C)C	702203588	DRRSTZFHFXFDCV-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@]1(C)C[C@@H]1C	704323379	FTIOFGWGAUIFDC-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1)[C@@H](C)CC(C)(C)C	704728078	KPDUDFYOXMFPIS-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
CCC[C@@](N)(C[C@@H](C)CC(C)C)C(C)(C)C	704889526	NTCLAOVYMAHEPC-DZGCQCFKSA-N	227.436	4.602	0	10	BJAE	
CCCC1CCC(N[C@@H]2CC[C@H]3CCC[C@@H]32)CC1	707834709	LNJNOGSTLHHEDK-QTPCEWDRSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(O)CCC[C@@H](C)CC1	709264690	ZUEWQQXWRURTQP-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CCC1(CNc2ccc(C3CC3)cc2)CCC1	709650850	AVNDINZUEWISPH-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)C12CCC(CC1)CC2	710319486	BOLUJIAYACLQMC-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C[C@@H](O)CCCC1CCC1)C(C)(C)C	711050145	HANGDRQYPDUAKK-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@]1(N)CC(C)(C)CC[C@@H]1C	713040689	YYXRBPXBEMJMCD-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C=C/C=C/CCC1(CNCC)CCC(C)(C)CC1	713700076	JTCZUJHTEDJIFC-BQYQJAHWSA-N	249.442	4.705	0	10	BJAE	
C[C@@H]1CCCC[C@H]1c1nc2cccc(Cl)c2[nH]1	714409340	GQTOATRTGLQKJN-NXEZZACHSA-N	248.757	4.510	0	10	BJAE	
Nc1cc(-c2ccc(C3CC3)s2)ccc1Cl	716589855	MKQQYANZSRZBAR-UHFFFAOYSA-N	249.766	4.528	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)CC1=CCCCC1	718649259	CVKKTUSMEXXMCA-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CCCC[C@H]1C(C)C	718691836	NUABBRLXPUQGPZ-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@@H](C)[C@]1(CNC2CC2)CCC=CCCC1	719048414	ODPGLSAAJXLEFI-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)C(=O)CC1CCC(C)CC1	721691053	JPLWAYPYWFLVKG-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cccc(C(C)C)c1	721724398	BDWFCDGWBNYGEJ-HNNXBMFYSA-N	234.383	4.670	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	722883389	ZLVZWWPAMBNXIR-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(N)(CC2CC(C)(C)C2)CC1	723565196	ZKWLKDBZQCVDTB-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC1CCC([C@]2(N)CC[C@@H]3CCCC[C@@H]3C2)CC1	723612260	JMLKEYOUEWIWSO-FXUHHZDVSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc2c(c1)C1(CCCC1)CCC2=O	757186365	HJQPJPVYYFCMDG-UHFFFAOYSA-N	242.362	4.598	0	10	BJAE	
CCCCC1(NCC2CCC(C)(C)CC2)CC1	1176850801	YUHHJGCULZXQBH-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)SCc1ccc(F)cc1C	1459058222	BKZZFXHVXFKMHY-CQSZACIVSA-N	240.387	4.946	0	10	BJAE	
C=C/C=C/CCN1CCC[C@H]1CC1CCCCC1	1459400992	SQOLUEJDVIVCAQ-IDOMTICXSA-N	247.426	4.554	0	10	BJAE	
C[C@H](Sc1cccc(F)c1)c1ccccc1	1559379765	FVZAVERKQWCHRN-NSHDSACASA-N	232.323	4.679	0	10	BJAE	
C1CC(CCCN2CCCC3(CCCC3)CC2)C1	1559992007	MWGSDFXXYFNPSW-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC[C@@H]1C[C@H]1C	1896059369	UFFFCJZOUFPLGL-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCCc1cc(F)ccc1C(F)F	1900671233	CHXAVTZPCZHFFE-UHFFFAOYSA-N	228.257	4.662	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCC[C@@H]1CC	1900713884	SFODIXRDMJJNHT-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CCC(C)=CCC(=O)c1ccc(C)cc1Cl	1900848395	KCQSNLPZKFFSHD-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CCC(C)=CCn1ccc2c(Cl)cccc21	1900856917	XLLNSAPNKBNGLN-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
CCC(O)(CC)CC=C(C)CCCC(C)C	1900874047	HSNZVIBECJZMPD-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CCC[C@](N)(CC)CCCC1=CCCCC1	1901959975	MLYDVBKBZLUKQL-OAHLLOKOSA-N	223.404	4.565	0	10	BJAE	
CC(C)C(c1nc([C@H]2C[C@@H]2C)cs1)C(C)C	1905256573	HBSZYBLUNVBYHU-QWRGUYRKSA-N	237.412	4.662	0	10	BJAE	
CCCCCC[C@H](C[C@H](CC)CCC)NC	1905436058	WOZKGDKHZDQRAP-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CCC[C@H]1C(C)C	1907593573	JWVQAPDGJWNXIB-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CC=C[C@@H](C)Cc1cc(C)c(C)cc1Cl	1911850890	QYQYJAQTPMJANY-SNVBAGLBSA-N	222.759	4.712	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(CC)cc1	1912084718	CKLMLNGBANTEGZ-CQSZACIVSA-N	202.341	4.709	0	10	BJAE	
CCCNCC(=C[C@@H]1CCCC[C@H]1CC)CC	1912094856	MQNUTDBDVJCIPL-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](C)CN[C@@H]1CCC2(CCCCC2)C1	1915879982	LEHBAVJTYMAIJK-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCC2(CCCCC2)C1	1915893368	RDSFODWJJFJNRQ-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@H](C)C[C@](N)(c1ccccc1)C(C)C	1920435238	JQENEIRZVMRSIJ-DOTOQJQBSA-N	247.426	4.569	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)C1CC(C)C1	1925922655	TWSLFVXBLKUZPH-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cc(Cl)sc1C	1933603452	VWKYTWUFXICQKK-PRHODGIISA-N	245.819	4.536	0	10	BJAE	
CCCCC[C@@H](O)[C@@H]1CCCC(C)(C)CC1	1939900165	OFKNHTQNKUVRND-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)C(C(C)C)C(C)C	1940247182	XXRAVBSXSOPKKM-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CC[C@H]1CCCC(=C(C)c2cccc(N)c2)C1	1940982398	YNQSDUODEJRYSF-ZDUSSCGKSA-N	229.367	4.643	0	10	BJAE	
CCC(C)(CC)CNc1ccnc2ccsc12	1941499409	WAPLZHAXWSDJBW-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
N[C@@]1(CCCCCC2CC2)CCC=CCCC1	1941598158	BOBLFVXKOXGAPA-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)CCCCC[C@]1(F)CCCCC[C@@H]1N	1943936892	KWXXICUNMHSSJJ-GJZGRUSLSA-N	243.410	4.593	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CN)CCCC1(C)C	1944479133	ZBDVDYDCYJRVOL-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
CC1(NCCC2=CCCCC2)CCCCCC1	1945603163	NEONHUUNVJAXDF-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1NC1CCCCCCCCC1	1947880146	FKVGOHQNTXSXBE-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC12CCC2)c1ccsc1	1947881239	LZEPMEUPRSHUFZ-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H](C)[C@H](C)CC(C)C	1948330918	CJRDYNLYQRJRRD-OWCLPIDISA-N	241.463	4.862	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@H]1CC[C@@H](C)C1	1949430553	YGQXDRJZKBSMJY-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C(=O)[C@@H]1CCC2(CCCC2)C1)C(C)(C)C	1949498250	VGWCIWXNHWSVPY-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccccc1O[C@@H]1CCC(C)(C)C1	1949501465	MXOJKNIACJAYFP-CYBMUJFWSA-N	232.367	4.768	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC1CC2(CCC2)C1	1949841087	ALPUBKQRAVFBRA-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
Cc1csc(C)c1C(=O)CC12CCC(CC1)C2	1950961035	ZJPFMXVKWKEXNL-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2ncc(C)s2)CC1	1958425308	PXTFZAVAJZNDTN-NWDGAFQWSA-N	223.385	4.525	0	10	BJAE	
CC(C)CC[C@@H](C)N1CC[C@H](CC(C)(C)C)C1	1962912746	KFVXWMVKMCXVIV-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCCc1ccccc1CN(CC)[C@H](C)C(C)C	1966168967	IWBFRBQXLONSFC-OAHLLOKOSA-N	247.426	4.506	0	10	BJAE	
CCCc1ccccc1CN(C)C[C@H](C)CCC	1966575304	AQNHGFKARGFXEJ-OAHLLOKOSA-N	247.426	4.507	0	10	BJAE	
C[C@]12CCC[C@@H]1N(CCCCCC1CC1)CCC2	1966613041	LDSDQBJSZJEOLG-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
C[C@@H](CN(C)[C@H](C)c1ccccc1)CC(C)(C)C	1968434813	BMRUOJBSSCIVCQ-HUUCEWRRSA-N	247.426	4.752	0	10	BJAE	
CC(C)CN(CC1CCCCC1)c1ccccc1	1970691956	OLZMCOPTACWWJI-UHFFFAOYSA-N	245.410	4.729	0	10	BJAE	
CC(C)(C)C1CC(Nc2cccc(C3CC3)c2)C1	1972458807	FXCLMSJREPWOIF-UHFFFAOYSA-N	243.394	4.801	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1Nc1ccc(Cl)cc1	1977424012	UHSKWFUTQPMZEZ-SMDDNHRTSA-N	237.774	4.577	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1C[C@@H]1CCC	1993069542	NHMRSMLMJQWPSW-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@H](C)C(C)C	1995260164	SYQJQTOLORIZNT-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
CC[C@H]1CCCCCN1CCCCCC1CC1	1995784799	ZIWJKEOIJPZTEB-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2CC[C@@H](C)C2)CC1	1996229099	DOUIXYFVMARRDX-JLVJUDLZSA-N	236.399	4.598	0	10	BJAE	
CCC1(C(=O)C[C@@H]2CCC=CCCC2)CCC1	1999982138	WSHYVONPOKCRAL-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H]1CCCC(C)(C)C1	2000051496	OKAQWWZJZHBWRU-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)[C@H](C)CCC(C)C	2000292626	DZOIOMPUFCEZTM-ZNMIVQPWSA-N	236.399	4.620	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C1(CCC)CCC1	2000389793	HJKYKOROCXKPQZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@H]1CC12CCCCC2	2001265937	PXYMQBUMICOIGG-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CCCCCCC1=O	2003116477	IZQZRHQSTVNIPF-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1CCCCCCC[C@H]1O	2003118504	SANAUZQOODIWJE-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCCC(C)=C1C	2006912344	FEILEFLZMHHRNT-VBNZEHGJSA-N	237.431	4.680	0	10	BJAE	
CCC1(CC(=O)C2(C)CCC(C)CC2)CCC1	2007683744	UQYSGJNXTKEPEF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](C)CC[C@H]1N	2009417982	CWNLSNQVEVOEKR-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C(C)(C)C(C)C	2009533450	CIASZQYGZCFESY-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@]1(CNCCC)CC[C@H](C)C1	2009631079	ZYJORSVIIGWRNV-IRJXADNDSA-N	237.431	4.539	0	10	BJAE	
Cc1cc(C)c(CC2CC(=C3CC3)C2)cc1C	2011091730	ZGTYQDGLMCYXPM-UHFFFAOYSA-N	226.363	4.655	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CC12CCC(CC1)CC2	2012811962	FKLAHUSSVKDKDB-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)cc(OCC(C(C)C)C(C)C)c1	2015382939	HMZIOIXHOTWRAF-UHFFFAOYSA-N	234.383	4.610	0	10	BJAE	
CCC1(C[C@]2(O)CCC[C@H](C(C)C)C2)CCC1	2015596529	RSCVBQXMWUTPGA-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@](C)(NCC2(C)CCCC2)C1	2017612608	JWOWPJTWCBYVEF-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(C[C@@H](O)CC(CC)CC)CC1	2017650391	GNMHBADLDSIVSU-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)C1CC(C)(C)C1	2018137868	ZODNDQIDLVVION-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
CCCC1(C[C@]2(O)CCCCCC2(C)C)CC1	2018965654	SPTXLSAKNOJHMB-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC1CCC(N2CCCC2(CC)CC)CC1	2019174343	MKCNSEBKJWXNOX-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@H]1CCCC(C)(C)CC1	2019387203	UCPXZIPZJLHFMO-KKUMJFAQSA-N	239.447	4.712	0	10	BJAE	
CC1(C)CCC[C@H](CCC[C@@H]2CC2(C)C)C1=O	2020392189	NCQYUUWYEIQPJI-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCN(C1CCCCC1)[C@H](C)CCC(C)C	2020537453	NPLQYXBCJUXSIO-OAHLLOKOSA-N	239.447	4.856	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](NC)C(CC)(CC)CC	2022487903	XIMFUJBCTOOXFT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1C[C@@H]1C1CCCC1	2022491136	YZLLMEJPHYTCGB-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCCCCC(=O)C[C@H]1C[C@@H]1C1CCCCC1	2022560263	NDTFWEHPXNJTPN-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H]1CCCCCCCC1=O	2022560973	SXUVYUHYCOTXCM-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@@H](O)[C@H](CCC2CCCCC2)C1	2024146238	IVJGDSSBIUVJPJ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](NC)c1c(C)cc(C)cc1C	2028251123	CVDYDJAWLBEQSY-RDJZCZTQSA-N	247.426	4.555	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C=Cc1ccccc1	2028587996	JTNFQPHWQYIUOT-IAGOWNOFSA-N	246.394	4.523	0	10	BJAE	
C[C@H](CC1CCCCC1)NCC1CCC=CCC1	2028890505	YATKGAUQLJTVNF-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CCCCC1(C)C	2035576965	UQRPYKKHULEWRX-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(CCCNC2C[C@H]3CCCCC[C@@H]3C2)CC1	2035854166	YRRQJVLWYBRZHR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC1CCCCCCCCC1)c1ccoc1	2035881558	SVGXDJAKAHYJQP-AWEZNQCLSA-N	249.398	4.823	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2CC23CCCC3)CC1	2036103475	DDTIQXIWQAHONZ-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC(C)(CC(=O)[C@H]1CCC2(CCCC2)C1)C1CC1	2037679630	SRAVMZLOLZGTSU-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)C[C@@H]1C=CCC1	2037974703	ONHNZVDPMSBUBL-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@H]1CCC2(CC2)C1	2038585113	AKXNQVGRHYILER-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NC[C@H]2CC23CCCCC3)c1C	2039057208	CTAYHZDLRCGQKJ-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CCC[C@H](C)CC2)ccc1F	2039379260	ZTEVBGADNQWFML-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1ccc(C2(C)CC2)cc1	2040719916	UIDXNDRJTRUVAK-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cc2cc(C)ccc2o1	2040724386	VGEDOHDLHGTCPW-HNNXBMFYSA-N	246.350	4.601	0	10	BJAE	
CCCN[C@@H](C1CCC(C)CC1)C1(C)CC=CC1	2042017094	QVIPPXRGTBQTEC-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](CCC(=O)c2ccccc2)C1	2045468120	HAYJBBBWSCUWQS-AWEZNQCLSA-N	244.378	4.866	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](NC)C1=CCCCCC1	2045734074	YRTWLVWGCNQLBO-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@H]1CC12CCCCC2	2047006507	BKIIZWJKVYNTED-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
O=C(C1CCCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047424577	MMJBIBXSMNRNKG-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
C1=CC[C@@H](N[C@@H]2CCCCC23CCCCC3)CC1	2047587782	VAMRQRADCJBSNJ-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC1(C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2049169069	CECPOOUAOBXFTG-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)[C@@]12C=C[C@@H](CC1)C2	2050005238	FABUAVBQKQUJPH-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1ccc(CC)cc1	2051401048	LBYWQZPMTMACQO-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
C[C@H](Nc1cccc(C2(C)CC2)c1)C1(C)CCC1	2052349579	RZBPFMPZNCYHKR-ZDUSSCGKSA-N	243.394	4.729	0	10	BJAE	
CCCc1ccc([C@H]2CC(=O)C[C@H](CC)C2)cc1	2055135331	APSBZEVQGGYYDO-CZUORRHYSA-N	244.378	4.502	0	10	BJAE	
Cc1ccccc1[C@@H](O)C1(C)CCC(C)(C)CC1	2056558665	IYDUFSZGVKXTGV-OAHLLOKOSA-N	246.394	4.635	0	10	BJAE	
CCC1([C@H](N)CC2CC(C3CCC3)C2)CCCC1	2056654419	ZKNZAMYBXYQOOG-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccccc1[C@@H](O)C=C1CCCC1	2056864110	XNFHXDMYKZSLJM-INIZCTEOSA-N	244.378	4.518	0	10	BJAE	
CC(C)CC1([C@H](N)C=C2CCCCC2)CCCC1	2056874982	BMQMAQKWKRSDJN-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](C=C1CCCCC1)C1C[C@@H](C)C[C@H](C)C1	2056879465	SZTGLHNNCJQJLE-GRDNDAEWSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1=CC[C@H](C)CC1)CC1CCCC1	2060929117	JWBHYSZPRUHRQB-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)C[C@H](C)CC(C)(C)C2)CC1	2061114480	YSAUZBYOPBXODD-CPUCHLNUSA-N	249.442	4.667	0	10	BJAE	
CC1(CCNCC[C@@]23CCC[C@H]2C3)CCCCC1	2061572780	TWDANXOZEJEGSB-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CC[C@]12CCC[C@H]1C2)C1(C)CCC1	2061574426	HIALKUWPJDTWDO-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC[C@@]12CCC[C@H]1C2)CC1CCCCC1	2061617442	PHSYBAXQZCSXKP-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)CC[C@]12CCC[C@H]1C2	2061618175	TUMVCJQWDLHXCQ-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2CC(=C3CC3)C2)CC1	2061696267	NTYVFRRMGZLRRR-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
Fc1ccc2oc(CC3CC(=C4CC4)C3)cc2c1	2061719322	YERXEVIRCHYMAH-UHFFFAOYSA-N	242.293	4.615	0	10	BJAE	
CCCCC[C@H](NCCC)C1CC2(C1)CC21CC1	2063996613	KTTJOALBHHNSLU-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@H]3CCCC[C@H]32)CCC1	2069342265	NGYQSDBXTAWCTA-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@@H](C3CC3)C2)CCC1	2069343364	YXXIWOFJNQFGPF-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1CCN[C@@H]1CCC2(CCCCC2)C1	2071465017	IBEAKSPRYNGZPI-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(CC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CCC1	2071923098	ZDMKXQCWLCFIPR-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2072875090	KEPYWVJROLVODS-WIPSIIJDSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](NC)c2ccc(C)cc2C)CC1	2074653941	SVNGLITVKNHWBQ-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCC(CC)(CC)CN(C)Cc1cccc(C)c1	2074779719	HGPBRZZWTKUEEE-UHFFFAOYSA-N	247.426	4.643	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)N(CCC2=CCCCC2)C1	2075145063	BWKSCLGCMVJUEY-NVXWUHKLSA-N	249.442	4.633	0	10	BJAE	
CC[C@H](C)[C@@H](C)N1CC(C)(C)Cc2ccccc21	2075202114	ADPYIBDGDSYIOK-UONOGXRCSA-N	245.410	4.510	0	10	BJAE	
c1ccc(C2CC2)c(NCC2CCCCCC2)c1	2077264517	UOOIUWUIGLSXKT-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
CCCCc1ccc(-c2cc(O)ccc2F)cc1	2077927234	IBTWLAOHAYCOPF-UHFFFAOYSA-N	244.309	4.541	0	10	BJAE	
CC(=C[C@@H]1C[C@@H]1C1CCCCCC1)CCCCN	2079699504	DFSHJARUGJZMBH-IAGOWNOFSA-N	249.442	4.668	0	10	BJAE	
CCCCC1CC(N)(C[C@@H]2C[C@@H]2C2CCCC2)C1	2079830824	GRKYOQZIXSSTHB-CBUUIXETSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)c1cc(C)c(C)cc1C	2079844750	WALDFMIIGLYEPZ-CABCVRRESA-N	244.378	4.621	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)C[C@H](C)CC(C)C)c1	2082930756	UYGHTVMFCUNEKQ-PXAZEXFGSA-N	247.426	4.684	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C2CCC(C)CC2)c1	2082958628	BZGHCVOOGMWXQO-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)C[C@@H]3CCCC[C@H]32)C1	2082982426	KUMBQFCAZVUQHY-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C=C[C@]2(C)CNC(C)(C)C2)C1	2082987421	QSWAOKBEWATITK-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@@H]1C[C@H]1C=CCCC1	2083656346	NSWAFYZWLQLZCW-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(C(=O)CCC2(F)CCC2)cc1	2084728388	QUFFMHLKXZBSRZ-UHFFFAOYSA-N	248.341	4.665	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)c1cccc(C)c1	2086051405	UFTWWKODQXBXSC-YOEHRIQHSA-N	247.426	4.862	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1scc(C)c1C	2210568128	SJPYKOYSZZBSHF-ZDUSSCGKSA-N	240.412	4.615	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC1(C)CC(C)(C)C1	2215393361	BMGFIEWGRKTENG-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CC=C[C@H](NCCC)[C@H]1CC[C@H](CCC)CC1	2216286929	ZFWRYHWCUWGVMB-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CCCCC(F)F)CNCC	2216445174	RKUPEIOWKIUAMZ-CQSZACIVSA-N	249.389	4.618	0	10	BJAE	
CC1(NCCCCCCCC2CC2)CCCC1	2216883669	MVKYDRMRMNLKJP-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC1(CCNCCCCCCCC2CC2)CC1	2216883961	PXBQLGZGLOQKAY-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)CCC(C)(F)F	2217155477	CMLJZSXZNPBUQV-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
C[C@H](NCCCCCCC1CC1)c1ccccc1	2218719257	WXPPMSOOOCLBGF-HNNXBMFYSA-N	245.410	4.698	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1[C@H]2CCCC[C@H]21	2218731040	LGYWUUZSLROZRX-QLPKVWCKSA-N	248.410	4.742	0	10	BJAE	
C(CCCN1CCCC[C@H]1C1CC1)CCC1CC1	2218750246	NVZQCFOBUNDFIV-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
C(=C/c1ccccc1)\Cc1ccc(C2CC2)cc1	2219073728	KBHDQKQGNJOINQ-QPJJXVBHSA-N	234.342	4.820	0	10	BJAE	
CC1=CC[C@H](CN[C@H](C)C2(C)CCCCC2)CC1	2221619440	QMCPYSRAUGKBSS-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@]1(C)CC=C(C)CC1	2221632374	QJUCWXTZJZRRAO-IRXDYDNUSA-N	247.426	4.623	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](NC)[C@]1(C)CC=C(C)CC1	2221632397	QMFZHJFYUNLPFT-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@]1(C)CC=C(C)CC1	2221633835	WBWQCSZCIIPAKL-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H]1CC(=O)c1ccc(C2CCC2)cc1	2223683588	KHRHFFDLYKMMSU-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)c1ccc(C2CCC2)cc1	2223683589	KHRHFFDLYKMMSU-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
Cc1ccn(-c2ccc(Oc3ccccc3)cc2)c1	2227293194	JZRFURFNNXPILD-UHFFFAOYSA-N	249.313	4.578	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CCC1(C)C	2243171132	UBPHBUBJISISSW-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
C1=C(Cc2cccc3ccsc23)CCCC1	2243239851	XYTSALAVWLAYFO-UHFFFAOYSA-N	228.360	4.944	0	10	BJAE	
CCCC[C@H](O)CCCCCC[C@H]1C[C@@H]1C	2243901676	GAHCJZOTONWKOS-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CC1CC(C)(C[C@@H]2CCCCCCCC2=O)C1	2246531166	SBJAKPREYHPHRY-BBBYJDLNSA-N	236.399	4.742	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)c1cc2ccccc2s1	2246943497	BKRISFIBLMDOKO-CQSZACIVSA-N	248.391	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H]1CCC1(C)C	2247382063	UODGZHZGDRPEJG-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC1CC(C)(C(=O)CCCCC[C@@H]2C[C@H]2C)C1	2248856301	IKMQAQBHWXUJCK-MYMJJRTCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)CN(C)CC[C@@H](C)CCCC(C)C	2250466373	DKHBQOVSNXPNKW-HOTGVXAUSA-N	241.463	4.817	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(C)CC[C@@H](O)C1	2250485024	JIEVIXROLJFAMQ-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CCC1CC(O)(CC[C@@H](C)CCCC(C)C)C1	2250491054	MXXGJDUYFDSFCQ-FHERZECASA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@]12CCC[C@@H]1CC2	2251100857	SJHBIYBJKCCLTK-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@@H]1CC[C@@H](C)C1)CC2	2253864244	DVAGTUHWJJBDII-XPKDYRNWSA-N	243.394	4.548	0	10	BJAE	
CC1(C)CCC[C@@H](NCC2CC3(CCCC3)C2)C1	2254085018	XMBNKMNSNBWWBB-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(C[C@H](N)CC2CC3(CCCC3)C2)C1	2254105870	HUQFXCOBROZVAD-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC1(CCCC[C@H]2C[C@@H]2C)CC=CC1	2254592558	GOBOZQFQGHQYPR-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1=CCCCC1)[C@@]12CCCC[C@H]1CCC2	2255063838	NTTIKKSCNPUAIE-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
O=C1CCC(c2cccc(C3CCCC3)c2)CC1	2260729021	BKAWERKJDCAWDG-UHFFFAOYSA-N	242.362	4.571	0	10	BJAE	
CCN[C@@H](C1=CCCC1)C1CC(CC(C)(C)C)C1	2261192467	VMIMWZIUMRNGIK-BCLQGDPASA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H]1C[C@H]2CC[C@@H]1C2	2298615027	RMGYFXGNOHLNNM-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)NCCCC1CCCC1	2298842205	SAFDQZMPPRMNJM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@@H](C)CC1CCC1	2298872434	ZSEKJUGTNGLPPE-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@@H](N)C[C@H](CC)C(C)(C)C	2300675867	IYNZZAMPWGQQTJ-LSDHHAIUSA-N	241.463	4.993	0	10	BJAE	
CCCN[C@@H](CCC(F)F)CCC(CC)CC	2300685728	IFAUJFXIZZHJLM-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1ccc2sccc2c1	2300873303	YMKSYRSJUKSZPE-CQSZACIVSA-N	245.391	4.648	0	10	BJAE	
CC(=CC[C@@H]1C[C@H](C)C[C@H]1N)CCCC(C)C	2300905240	WYAVFXKIDHFUQO-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CCCCCC1CC1	2302611737	DVRSYCYAMWMOQU-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@@H]1CCC(C)(C)C1	2302657013	HELJQKLIOOOBOW-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CCCCCN(C[C@@H]1CCC(C)(C)C1)C(C)C	2302876046	PHAHWUYUFZPUGW-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CC[C@H]1C(C)(C)C)NC	2303478373	PQXDWQFNRGOXJB-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CC(C)=C[C@H](C)C1	2307839107	VVYPXTIUHKEXIN-QEJZJMRPSA-N	236.399	4.764	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)C1(CC)CCC1	2307909036	SBWKJSHUAMHZEC-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H]1C[C@H]1C1CCCC1	2311525933	MLLMNRQMRSETMD-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@@]23CCCC[C@@H]2CC3)C1	2313311411	CNDLXXZGRZOQQJ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
N[C@H](C1CCCCCC1)C(CC1CC1)CC1CC1	2313589475	DPESAURPLVNBMA-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	2313674059	WGKQJLWLMOQYRR-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@H](O)c1c(C)oc2ccccc12	2316532213	MZUXIWKTFFWMCF-AWEZNQCLSA-N	244.334	4.521	0	10	BJAE	
C1CCCC(NC[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316791437	NXSGJQSAMQJRTN-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C1CCC2(CC1)CC2	2316872522	CLXJHTVJCVYXAY-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CCCNCC1(CC2CCCCCC2)CC=CC1	2316939918	YNMMGSVPEMOFQQ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC1(CCC(=O)C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2317004994	RRUKQVNYNBGDQL-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@H](C)C(=O)CC(C)(C)Cc1ccccc1	2317283075	IZTGMLYQBZVVGC-AWEZNQCLSA-N	246.394	4.507	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1ccc(C2(C)CC2)cc1	2317831921	RBZBWMSGEHIZRM-KBPBESRZSA-N	245.410	4.831	0	10	BJAE	
CCCC1CC(Nc2cc(F)ccc2C(C)C)C1	2317929055	KTOCEWJHRATZSE-UHFFFAOYSA-N	249.373	4.940	0	10	BJAE	
CC[C@@]1(CCCC2=CCCCC2)CCCCCN1	2318562207	SLYOPFHTPSFKTH-KRWDZBQOSA-N	249.442	4.970	0	10	BJAE	
CC(C)(C)CC1CC(C=C[C@H]2CCCC[C@H]2N)C1	2318951836	LYDAFNDDCGTESZ-QDIHITRGSA-N	249.442	4.523	0	10	BJAE	
CCCCCC1CC(N[C@@H](CC2CC2)C2CC2)C1	2320517188	WNPGSVRCLDFRBA-PREGVCBESA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)N[C@H](CC1CC1)C1CC1	2320708054	LCYYTSCIUDKWTI-NVXWUHKLSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@@H](C)C(C)(C)C)c1	2327708624	QOAHYTBRGSLPRV-CZUORRHYSA-N	248.410	4.834	0	10	BJAE	
CC(C)c1ccc(-c2cc3ccccc3[nH]2)cc1	1519046	IURBFPUSHUXGSV-UHFFFAOYSA-N	235.330	4.958	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1ccc(F)cc1	20006333	ZHMDGRSRFFWBJC-CABCVRRESA-N	249.373	4.843	0	10	BJAE	
CC[C@H](C)[C@H](N)c1ccc(C(C)C)cc1C(C)C	21007841	HYYAUDTWCGUKTI-GUYCJALGSA-N	247.426	4.979	0	10	BJAE	
CCCCc1ccc2nc(CC)cc(Cl)c2c1	36912939	WDDBNNDASKLUKO-UHFFFAOYSA-N	247.769	4.793	0	10	BJAE	
C[C@H](N)c1ccc(-c2ccc3ccccc3c2)cc1	38071104	FZXFBOLUABKJRO-ZDUSSCGKSA-N	247.341	4.527	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@@H]1CCC[C@H](C2CC2)C1	81632646	SJUUAIZRYRUGRY-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
CC1=CC[C@@H](C(C)C)c2cc(C)ccc21	85600895	CUUMXRBKJIDIAY-ZDUSSCGKSA-N	200.325	4.542	0	10	BJAE	endogenous,in-man
CCCC[C@H](CC)C[C@H](NC)[C@@H]1CC[C@H](C)C1	87990612	BYFNQAULKPPKGG-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](N)C(C)(C)CC)cc1	90482821	UWYQMCCOXCQVPY-HNNXBMFYSA-N	247.426	4.810	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](N)CC(C)(C)C)cc1	90483024	HJAYRKCKQHHKJZ-HNNXBMFYSA-N	247.426	4.810	0	10	BJAE	
CCCNCC/C=C(/C)[C@@H]1CCC[C@@H](CC)C1	93675198	FCFDJCWQBPAEBD-JMVFYIHGSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](CC)N[C@H](c1ccc(C)cc1)C1CC1	109944368	FKKRSMDWJFCQQN-IAGOWNOFSA-N	245.410	4.614	0	10	BJAE	
CC(C)CC1([C@@H](O)C2CCCCC2)CCCC1	123105538	BSWISBOJRSWHCY-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1cccc(C)c1C	125124154	IGXWTJYDPMHOOI-NVXWUHKLSA-N	247.426	4.910	0	10	BJAE	
Cc1ccc(C)c(OC2C[C@@H](C)C[C@@H](C)C2)c1	130393017	YYJLJPZCIWZPDW-NNQSOWQGSA-N	232.367	4.507	0	10	BJAE	
CC[C@@H](NCCCCC(C)C)c1ccccc1	134291293	HQRRMGSZSQISKK-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
CCCC(O)(C1CCCCC1)C1CCCCC1	140450802	UHBYWEGGFUCNJL-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](c1ccoc1)C1CCCCCCC1	159112355	OUTFWEYGGLXHIR-INIZCTEOSA-N	249.398	4.681	0	10	BJAE	
Cc1ccc([C@@H](C)NC[C@@H](C)C(C)(C)C)cc1C	162607279	DWONTKPQWIYLIW-HUUCEWRRSA-N	247.426	4.636	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccc(C(C)(C)C)cc1	163734455	BHMIFCJSLIOIOM-BBRMVZONSA-N	245.410	4.975	0	10	BJAE	
CCC1CCC(C(=O)C2(CC)CCCC2)CC1	166193126	KTQVOAWYSVHMEZ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CCC)C1(CC(C)C)CCCC1	167256522	OJHREBKWMNRQOM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@@H](C)C(C)(C)C	229169396	MOQVYZQDHDYODN-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@H](NCCC)c1cc(C)cc(C)c1	229490136	PMRRDAGMXRBXDI-KRWDZBQOSA-N	247.426	4.924	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CC2CCCCC2)C1	231016116	QFKNIBLYZRNVGR-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H]1CNc2ccc(Cl)cc21	232624542	DIVADFRSOLWYKL-MFKMUULPSA-N	237.774	4.531	0	10	BJAE	
C[C@@H]1CC[C@@H]2[C@@H](CCCC2(C)C)C1(C)C	238445800	JTHQJIOXHUASBW-JHJVBQTASA-N	208.389	4.885	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CC[C@@H](C)[C@H](C)C1	252590798	DBHNUAYMHJACHV-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC(C)SCc1coc2cc(Cl)ccc12	258180757	YWWRZYTZZNLIKH-UHFFFAOYSA-N	240.755	4.728	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CCC1CCCC1	302283359	VGCPTFIDAJCOOT-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
Cc1ccccc1CCC(=O)C[C@@H](C)CC(C)C	302387932	QJEJKOSZGWLKJG-AWEZNQCLSA-N	246.394	4.569	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cccc2ccccc12	302490908	ZYGWHMRRORSXGU-GUYCJALGSA-N	241.378	4.666	0	10	BJAE	
CC1CCC(n2ccc3cc(F)ccc32)CC1	304991823	KKHOUVLIZDQQKZ-UHFFFAOYSA-N	231.314	4.532	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C(C(C)C)C(C)C	310085656	AJEPYBYNTMDLAI-CABCVRRESA-N	242.447	4.882	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)CCC(C)(C)C)c1	310261857	DBJDBLJGIVQBDU-AWEZNQCLSA-N	233.399	4.930	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](CCC(C)C)C1CC1	310314824	WIZGLGNKFMDUQL-GDBMZVCRSA-N	239.447	4.760	0	10	BJAE	
CNCC1([C@@H](C)CC(C)C)CCCCCCC1	317412505	NIJKOPJUTXEAGW-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC(C)C)CC[C@H](CC)C1	318069976	MLOZKRHIQVQFSK-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]([C@@H](C)[C@@H](C)CC)[C@H](CC)CC(C)C	319476965	AJEKHPTXUQGYOX-JONQDZQNSA-N	241.463	4.719	0	10	BJAE	
Cc1ccc(NCC/C=C/c2ccccc2)cc1	323594050	OMABGYPTFUASNY-WEVVVXLNSA-N	237.346	4.510	0	10	BJAE	
CC[C@H](NCC1=CCCCC1)c1cccc(C)c1	379580464	GZIDOFGQJQUFOY-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CC(C)CCCCCC(=O)c1ccc(F)cc1	383121065	JIKBGVDXQYSONH-UHFFFAOYSA-N	236.330	4.615	0	10	BJAE	
CCC1CCC([C@@H](O)C(C)(C)C(C)(C)C)CC1	383731296	AUEOMYYBPPQGEV-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](N)CCC1=CCCCC1	385863510	HUMYMQWYQKANEV-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CCC1(NCC2(C)CCCCCC2)CCCC1	394568597	QCRJIMBVEQTLDD-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCc1ccccc1[C@H](O)C1(C)CCCCCC1	394682208	YSWHIYUMKXUCTL-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CCOc1cc(CC)c(Cl)c2ccsc12	396186540	GMRYENZCISJAJK-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1cc(CC)c2sc(Cl)cc2c1	396186624	GRCCQBNUMCHCPT-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@H](C)C(C)(C)C	399314712	NMNCUFSOYUUDJJ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)[C@@H](C)CCC	402373367	ZZMGBXJZQJDPHX-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1	403454755	GVYQJWDIFZCWQO-ILZRDFNYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(Cl)c(OCCCC2CCC2)c1	688867429	INKKUUMTVTUBGC-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
C[C@@H]1[C@@H](Nc2cccc(C3CC3)c2)CCC[C@H]1C	690073248	AKQUYQMIWFRSBY-IGCXYCKISA-N	243.394	4.801	0	10	BJAE	
CCC(C)(C)CCc1ccc2c(c1)CC[C@H](C)N2	696689773	YNNWLWBMCMDSRV-ZDUSSCGKSA-N	245.410	4.802	0	10	BJAE	
CCC(C)(C)CC[C@H]1C[C@H](C(C)C)CCC1=O	696741147	STRGJUFYVSBUNY-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCCCC[C@H]1C(C)C	701093961	HESDPTCZNGGUAL-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC1(C)C[C@@]1(C)CNc1ccc2ccccc2c1	702323623	KSQIVLRZTOQENM-KRWDZBQOSA-N	239.362	4.688	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@H]1CCCC12CC2	706216610	QEQOTDRVBINHDE-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CNCC[C@@H]1CC=CCC1)C1CCCCC1	706869697	QYWFRHSFDZVRDD-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CC[C@H](O)[C@H](C[C@H](C)CC(C)(C)C)C1	709073264	FHDUQBKHGHQROL-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](N)C[C@@H](C)CC(C)(C)C	709210100	CWANTOJINIDHNM-KGLIPLIRSA-N	241.463	4.704	0	10	BJAE	
CCc1cc(N[C@@H]2C=CCCCCC2)ccc1F	709649458	ZXVOFYLISISYEH-CQSZACIVSA-N	247.357	4.689	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1cscc1Cl	710452088	MFPDROSKKVYXCY-SKDRFNHKSA-N	246.803	4.507	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(C[C@H](C)C(C)(C)C)C1	710751048	POKJTEWTSHICEQ-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CCCc1ccc(N[C@H]2C[C@H]3CC[C@H](C3)C2)cc1	711072152	RWTCCWQGCJHXJN-SCAQPMJSSA-N	243.394	4.630	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)c1ccccc1C	711145537	AXNVLXXHBKMZIS-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@@H](C)C(C)(C)C	711181232	DUYKHDWKEKHBOA-ZBFHGGJFSA-N	241.463	4.865	0	10	BJAE	
CN[C@@H](CC(C)(C)C(C)C)c1cccc(C)c1C	713197083	CDPYJPVISPQEAB-INIZCTEOSA-N	247.426	4.636	0	10	BJAE	
CCC[C@](C)(CNC(C)C)CC(C)(C)C(C)C	713222241	OJRSBILEQIFWJO-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CC(C)(C)C(C)C	713259377	SSUSHVPGDOUULZ-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCC[C@]1(CNC(C)(C)C)CC(C)(C)C	713313179	AZGJSIVKVQYCJR-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@]1(O)CCC[C@H](CCC)CC1	713748011	JTWRNJHHOURPOL-XFCCUVRLSA-N	236.399	4.620	0	10	BJAE	
CCN[C@@H]1c2ccccc2[C@@H](CC(C)C)[C@@H]1CC	714345593	YDNVBFHCBKOCOH-JQFCIGGWSA-N	245.410	4.507	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)CCC(C)(C)C	718573907	RLMDDKCYJUMDGO-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C[C@H]1C[C@H]2CC[C@H]1C2	718578332	ISAKSNPSCLCSNF-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1CC(C)(C)C1	718581763	COJNNLAAPPORLI-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1cscc1C(F)F	721724631	DUVRBXNSIJVUPR-SNVBAGLBSA-N	247.354	4.512	0	10	BJAE	
C1CCC(CCN[C@@H](C2CCCC2)C2CC2)CC1	723962153	ZTONBAGCBYLOBN-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](N[C@H](C1CCCCC1)C1CC1)C1CCC1	724000675	RBDKPWHNXGTSNJ-IAGOWNOFSA-N	249.442	4.514	0	10	BJAE	
CC1=CC/C(=C(/[O])CC2=CCCCC2)S1	725575381	SLOYJOZSMWVUDY-UHFFFAOYSA-N	221.345	4.560	0	10	BJAE	
C[C@H]1CC[C@H](Sc2nccc3ccccc23)C1	1473050744	DVXVLFLQKVIORT-AAEUAGOBSA-N	243.375	4.516	0	10	BJAE	
C1=C(CCN[C@@H]2CCC3(CCCCC3)C2)CCC1	1915870410	SFTLAMNMQLOPBL-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
Cc1ccc(N[C@H]2CCC3(CCCC3)C2)cc1	1916402999	UVJPWMMONCJOMB-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
CC(C)[C@](O)(CCCC1(C)CC1)c1ccccc1	1919925686	UBWIIWQJRHKUCH-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CCCCCC[C@](C)(O)c1ccc(C2CC2)cc1	1919982373	YDGHHSWHDWKSAN-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
CCCC1CC(CNC(C)C)(C(CC)CC)C1	1921271261	JVWMZASHFCCDPC-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CNC[C@]1(CCC(C)=C(C)C)CCCC12CCC2	1921605151	NJTAJLIWKUCOSI-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2CCCC23CCC3)C1	1921610822	PQFQSIFYLUXLBE-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC(C)C(C)(C)C=C1[C@H](CN)CCCC12CCC2	1924791121	LGCOMADLNXAZFQ-AWEZNQCLSA-N	249.442	4.524	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@@H]1C=CCCCC1	1925911365	QVEIKSVDUOEGCI-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
Cc1scc([C@@H](N)C[C@@H]2C=CCCCC2)c1C	1925949706	UIZWTPSSQPCHHC-HIFRSBDPSA-N	249.423	4.501	0	10	BJAE	
CCc1cc(NCCC(CC)CC)ccc1C	1926160905	DHEMUVKVRJNWBY-UHFFFAOYSA-N	233.399	4.796	0	10	BJAE	
CC(=Cc1sccc1Cl)c1ccc(N)cc1	1935987662	PNXMRENMVFEQER-UHFFFAOYSA-N	249.766	4.544	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H](C)CCC(C)C	1937163693	XHJKTMONSRAGQD-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCc1cscc1C(=O)CC(C)(C)C(C)C	1938808435	DATLXXALIMWBMI-UHFFFAOYSA-N	238.396	4.566	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](O)CCC1CCCC1	1940880443	AGEHIRUIFKBIBA-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC1(C)C)C[C@H](C)CC	1940880880	KANFTDBUYTXUGL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](CCCCCC1CC1)NC	1941591776	NYDYVJJCJQKKED-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC1(CNC)CC(C)(C)C1	1941981571	GUEHVANGEPZXEH-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC1CCC(CC(=O)C2(C)CC(C)(C)C2)CC1	1941989353	XHOSFZDARUHASX-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC(CC)CC)C1(C)CC(C)(C)C1	1941989878	ROFRRLJZICQOKY-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@]1(O)CC(C)(C)CC2(CC2)C1	1943082543	RNOIGZRJXBXCBE-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C(C)(C)C1CCCC1	1944633393	ZSKIWLBHFMQJHB-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C(=O)CCC1CCC1)C1CCCCC1	1944639695	HSZBWXATMOHBGY-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)C1CCCCC1	1947462426	NLYVALPRSDTHPM-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@@H]1C=CCCC1	1947592575	KYZONSOWLAJNGQ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](N)(CCC[C@@H]1CC1(C)C)C1CCCC1	1949051867	SBXHVQPSGCYTPO-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](N)C1CC2(C1)CC(C)(C)C2	1950972386	HAKQBOXYXSABNT-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H]1C(C)C)c1ccccc1	1964200243	UYFDAZYLUDTXSC-YESZJQIVSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](C)N(C)CC1C[C@@H](C)C[C@H](C)C1	1964202128	GNMFNBBIKOEAKY-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC2CC3(CCCC3)C2)C1	1964594172	LDUSDPLDCWKJQI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NCC2[C@H]3CCCCC[C@H]23)c(C)c1	1968255546	YTWJXQJMWAFZDC-GJZGRUSLSA-N	243.394	4.542	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1ccc(F)c(F)c1	1968305647	FVXMUCQIQRPFBF-NSHDSACASA-N	241.325	4.592	0	10	BJAE	
CC[C@@H](C)N(Cc1ccccc1)C[C@H](C)C(C)C	1968431693	DZWXGRWMXSUOIU-JKSUJKDBSA-N	247.426	4.579	0	10	BJAE	
C1CCCCN([C@@H]2CCC3(CCCC3)C2)CCC1	1968644005	COSAPEIYBPNSPC-MRXNPFEDSA-N	249.442	4.756	0	10	BJAE	
CCC[C@@H](C)CN(Cc1ccccc1)CC(C)C	1968815979	RBGAMUIPMFDBNH-MRXNPFEDSA-N	247.426	4.581	0	10	BJAE	
Cc1cc(C)cc(-c2nc([C@H]3C[C@@H]3C)cs2)c1	1970823524	YXEDAQKYVDLCSB-AAEUAGOBSA-N	243.375	4.550	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@@H]2CCCCC23CC3)C1	1972729151	PXUSOPUHNOHXEE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C(CC)CC)C(CC)(CC)CC	1978562224	DCLOOLKVYOQMGJ-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC(C)=CCC(=O)C1(C)CCCCCCC1	1981428508	RTQHDLIDUTYBHS-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCCC1CC(O)(CCCCCC(C)C)C1	1984691899	HHPQKCIYEZKQEW-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@H](C)CC(C)C	1988780169	HQOBRBRYNDOHSG-HUUCEWRRSA-N	225.420	4.523	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H](C)CC(C)(C)C	1990893912	QDVKOUVUMANTDY-UONOGXRCSA-N	227.436	4.568	0	10	BJAE	
COc1ccc(CCC(C)=C(C)C)cc1Cl	1993970055	HAHJOTKECRQOAW-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1csc(C)c1	1995253288	FSJWXUGCLHLJIL-SMDDNHRTSA-N	240.412	4.696	0	10	BJAE	
CC[C@](O)(C[C@@H](C)CC(C)C)C1CCCCC1	1996548345	QVSYVSQUTKPPHD-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC(C)(C)CC)CC1	1997118369	XEGTZPGCWQQAJW-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@@H]1CCC[C@H](C)CC1	1997213293	DKFZGFHWEJCYKA-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](C(=O)[C@@H]1CCCC(C)(C)C1)C(C)C	2000107508	UILDGCVDSMAIIC-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCC1([C@@H](N)[C@H]2CCCC(C)(C)C2)CCCC1	2000143800	QPFZYIRPJBFMEW-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CCCC1CCC1	2000294058	ONTSZLWWCATUMA-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](C1=CCCC1)c1sc(C)cc1C	2000387126	HWFCKZSDTRYFHR-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CCC(CC)(CCCC1CCC1)CNC1CC1	2000502300	LSXHHDLKSFTQQE-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](C)(CCCCCC1CC1)C(=O)O	2000508835	KMIFLAGYRSXXBZ-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(O)CC2(CCCCCC2)C1	2000672457	JAJQGSUSXYWZGJ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCC(=O)CCC[C@]1(C)CCCCC1(F)F	2002581005	VNCAYKPDLGYGAO-ZDUSSCGKSA-N	246.341	4.742	0	10	BJAE	
CCCC1CCC([C@](C)(N)C2CCCC2)CC1	2002924240	GUNBFNSLAMYLHL-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@H]1CCCC(C)(C)C1	2002981233	HATJTSFLWLNQMQ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@]2(O)C[C@@H]2CC)CC1	2003104837	ZEKPNXDCNZSAPA-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H]1CCCCCCC[C@@H]1CC=C(C)C	2004227509	MEELMZFLKIGYPI-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)CN[C@@]1(C)CCCC1(C)C	2004706946	RXUXGODADPSHMG-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@@]1(CO)CCCC[C@@H]1C	2005581527	ZBZNDOWZSDWLKC-HOTGVXAUSA-N	240.431	4.782	0	10	BJAE	
O[C@@H](C=C1CCCCC1)CCC1CCCCC1	2007919779	FMHLBFODFRIEJL-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)CC[C@H]1CCC(C)C	2009408322	SPPGASBFVYBAAF-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@H]1C[C@@H](NCCC)C[C@H](C)C1	2009618462	BWDLEJMKSXXDHL-CLTGJZPWSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CC1CCCCCC1	2011571532	GLPBHKCSDBSKSU-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCC[C@]1(CCC[C@H]2C[C@@H]2C)CCCCCN1	2011577532	VAVSBZWDUCLUFJ-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(C)(C)CNCCC[C@H]1C[C@H]1C	2011584624	UMZFDIYULAQSBB-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)C1(C)CCCC1	2014337804	FKNJDROXXLFIGN-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC(C)C(CC[C@H]1CCCC[C@@H](N)C1)C(C)C	2015345790	WTWHSJQYYBSXRJ-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@H]2CCC[C@@H](C(C)C)N2)CCC1	2015647036	DDLWNWNVCUPOJK-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CC(C)CC1(C(=O)CC2CCC=CCC2)CC1	2015740008	GBJZCJHPSZMZLK-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H](C)CCC=C(C)C	2016150685	XFAJQFYFOOBOJE-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CC(C)C1(C[C@@]2(O)CCC[C@H](C)CC2)CCC1	2017112944	TVVBZYJYOFGCLO-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CCCCCC2=O)CCC1	2017128573	DVXJEWSVYDDWHX-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@H](C)CC(C)C)CC1	2017730186	FCBUSRBISVBEBP-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@](N)(CC)CCC(C)(C)C1CC1	2018135293	XLBDCFHXGILSGV-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCC1(C[C@H]2CCCCC[C@@H]2NCC)CC1	2018987302	JFQSHCRLZVKCSO-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCCCN1[C@@H]1C=CCCCCC1	2019124278	OHYIYMHNDPRLOQ-JKSUJKDBSA-N	235.415	4.530	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](C)C(C)(C)CC	2019196977	VECBGWYPUCIMDL-GJZGRUSLSA-N	241.463	4.959	0	10	BJAE	
CC[C@@H](C1CCC1)N(C)CCCCCC(C)C	2019344447	NCBRDXJVDSWXQZ-INIZCTEOSA-N	239.447	4.713	0	10	BJAE	
CC[C@H](CCCCC(C)(F)F)CNC(C)(C)C	2023287260	GPNKKUDQGDBLRI-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CCCCC(C)(F)F)C1	2023331731	MWGVDCGLCNTQTR-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@@H]1CCCC(C)(C)C1	2024090929	CXTREXYUTKTSED-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CCC[C@@H]1C	2026081656	XJIRJHFRKQTSAK-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1CC[C@@H](c2nc(CC3(C)CC3)cs2)C1	2026544980	RRLVAMHIYKSNHM-NWDGAFQWSA-N	249.423	4.779	0	10	BJAE	
CC1(C[C@@H]2CCNc3ccccc32)CCCCC1	2027310230	YQKJTLGNXIPOON-AWEZNQCLSA-N	243.394	4.946	0	10	BJAE	
CC1CC(CC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1	2027588770	QVJKTYBHVSOWHR-SVXVCFNTSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1CC[C@@H]2CCCC[C@H]2N1	2027837229	PQLSSGJAZDJPIR-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)[C@H](C)CC(C)C	2028932155	ZXIVDFUNXAJMFH-CQSZACIVSA-N	246.394	4.750	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)CCCc1ccccc1	2029839129	XGQGGFHUTXSSGH-OAHLLOKOSA-N	246.394	4.651	0	10	BJAE	
CC1(C)C[C@H]1C(=O)c1ccc(C2CCCC2)cc1	2031752592	PORAYCXWVQZRLF-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)C1CCC(Cc2ccccc2N)CC1	2031823748	GIJNLRAATAOYPC-UHFFFAOYSA-N	245.410	4.664	0	10	BJAE	
C[C@H](CNc1ccccc1C1(C)CC1)C1CCC1	2032245406	KLQUKXMYEJFBAR-CYBMUJFWSA-N	243.394	4.586	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@]1(N)CCCCC12CCCC2	2032505603	JCZKAAMETIOLPV-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H]1C[C@H]1C[C@@H](C)c2ccccc2N1	2032514373	MKYAVKPPAAZYNM-GBJTYRQASA-N	243.394	4.801	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@@H]1CCC(C)(C)C1	2033392900	CGAIFNKCIOHVHE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@@H]2C[C@H]3CCCC[C@H]3C2=O)CCCCC1	2034257777	NGMWPSQGUXOLGS-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)c(F)c1	2034259474	BSQFBXBTWKYMCV-KCQAQPDRSA-N	247.357	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC(C)(C)C1=CCCC1	2035410849	PFLDQDMIHOSVSF-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2C=CCC2)CC[C@@H](CC)C1	2035587459	DQDCDLCHYCWBCF-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C[C@H]1C=CCCC1	2035589367	IFOVWZMBYMMSJC-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cccc(C2CC2)c1	2036355080	PAMSRZVOJZAULF-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
CN(CC1CCCC1)[C@H]1CCC2(CCCCC2)C1	2036770632	GGSBSNDWAMZZKI-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)c1ccc(CC(C)C)cc1	2037125667	LFFNTZOURSTFNK-VBQJREDUSA-N	247.426	4.567	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)CCCC1(C)CC1	2037179524	OAVIEGWCJHNUJF-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)C1CCC(=C2CC[C@@H](CCN)C2)CC1	2037230573	ORNYGNPXJIBKMN-KNVGNIICSA-N	249.442	4.668	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CCC[C@H]2CCCC[C@@H]21	2038354519	NMLQNPBTTICUKF-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
CN(C[C@@H]1CC12CCCCC2)C1CCCCCC1	2039045028	RSWSYEGXIMKYJZ-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCc1ccccc1NC[C@H]1CC12CCCCC2	2039058438	MUBCDMYTGSSPPF-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
CC1CCC([C@@](C)(N)CC2CC3(CCC3)C2)CC1	2040681059	PYCFKRQHWFMKGL-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](NC[C@]1(C)CC=CCC1)[C@@H]1CC1(C)C	2042073540	AVRONXDYUXJWDD-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(NCCC2=CCCCC2)CC1(C)C	2042384613	BUMKBYGDWRGMIU-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCC3(CCC3)C2)CC1	2043605453	LNLZYHHYAQCQBM-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CC[C@H]2C2CCCCCC2)C1	2045521334	KBAOXAFGQCHWKF-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@@H]1CC(C)=C[C@@H](C)C1	2045759519	XPXZONQXRXVTEX-XOKHGSTOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@@H]1C(C)=CCC[C@H]1C	2046913278	LKWDSUYASYIHLR-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@]1(CN)C[C@H]1CC12CCCCC2	2047013849	YCNLGBSXFBLSTC-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CCC1([C@H](C[C@H]2CC23CCCCC3)NC)CCC1	2047014081	ZLHHZJCTGGQPJM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CC23CCCCC3)C(=O)C1	2047063316	VGGDTHCMTPIDCF-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@H]1[C@H]2CCCCC[C@H]21	2048366825	UGYICPBCWMDDNZ-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048472141	WFCMBRKRTSHXMN-ZTPJQAPRSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@@H]1[C@H]2CCCCC[C@H]21)c1ccc(N)cc1	2048489199	WKDBHGZJMZTCQF-VZEFYGNVSA-N	243.394	4.589	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@@H]2CC23CCCC3)CC1	2049414519	IHFJQRQPIPBYHD-PRLABOORSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C1CCCC1)N(C)C[C@@H]1CCC=CCCC1	2049430599	JAPUOFUGIMHFAY-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)cc1	2049538521	ZLLBMKPQJYCHAY-IIAWOOMASA-N	245.410	4.876	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2CCC3(CC3)C2)C1	2049863162	GUIAQFCWUATCBU-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C2CC(CC3CC3)C2)C1	2050218158	XQMYXZKJGHQQKW-UUNGTBAKSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)CCC[C@H](NC)c1cccc(C)c1	2050455519	GKYWVLNXZNZZFC-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2051407092	HWVMCVUEQAWBNI-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC1CCC1)[C@H]1CCCCC12CCC2	2053408272	ULMBDCISWZMURY-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(N)C=C1CCCCC1	2056920871	UYHGMVCWDOIRBW-DJIMGWMZSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc(NC[C@H](F)C2CCCC2)c1	2058029364	FTLWEOFQGJTWQH-INIZCTEOSA-N	249.373	4.750	0	10	BJAE	
CC1(C)CCC[C@@H](N2CC[C@]23CCC(C)(C)C3)C1	2058199538	LGFRIBWSIBPKMS-PBHICJAKSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@]1(C)CC=CCC1	2059183559	LRIGDNIENWKJLR-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1=CC[C@@H](C)CC1)C1(C)CCC(C)CC1	2060920154	CBSFXOOAACSWDV-FDVNEVKMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](N)(CC[C@@]12CCC[C@H]1C2)C1CCCC1	2061617552	PXLGHDUPPRYIGC-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCC(CC)(CC)CNC1CC2(C1)CC21CCC1	2064109608	QGWXTJPDZLHPHZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(CCCc1ccccc1)CCC(C)C	2065993537	UHDZUWAIDURMQG-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@@H]2CCC2(C)C)cc1C	2068286189	DHMGRLNTDHHFDV-CJNGLKHVSA-N	245.410	4.794	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C[C@@H]2CC23CCC3)CC1	2069175776	CRHWLEAUUORTBQ-ZBFHGGJFSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cnccc1C(C)C	2070412844	GKYSVODBGBUCSV-CQSZACIVSA-N	246.398	4.752	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)CC[C@H]2C2CCC2)CCC1	2071941418	TWBUCIUOKYMKCK-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
C[C@H](c1ccccc1)N(C)CCC1=CCCCC1	2075146520	PWDDZPYSSRGFSH-OAHLLOKOSA-N	243.394	4.570	0	10	BJAE	
CCCCN(C[C@H]1CC12CCC2)C1CCCCC1	2076584176	HDISNEWINLLWQS-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H]1CC2CCC1CC2	2077188885	BPGIAZDCXSTBKC-MHVXSEJMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@](N)(C[C@H]2C[C@@H]2C2CCCCC2)C1	2079668752	CFRUNFHSFLDLJD-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@H]2C[C@H]2C2CCCC2)C1	2079842465	OEVBVWHDIOOPPR-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(-c2cc(Cl)cs2)c(C)c1	2080276496	KMZWENLFTQSADW-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CCCN[C@H](C)c1cccc([C@@H]2C[C@@H]2C(C)C)c1	2082715854	UPWDSCFDYFGLHY-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
C[C@H](C[C@H]1CCCC(C)(C)C1)c1ccc(N)cc1	2082977416	ZEAYFAWNWOSQGV-ZIAGYGMSSA-N	245.410	4.979	0	10	BJAE	
CCCCCCNCCCCCCC1CC1	2210526633	HMALKSXTYOHQJI-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)CCCCCCC1CC1	2210527567	TUTZXGNBLAUVFY-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CCC(C)C	2211375931	ITEFVJRLUOEHAS-UHFFFAOYSA-N	235.758	4.649	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C1(C)CCC(C)(C)CC1	2215326657	ZWYDSRAERQWACH-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C(C)(C)CC)[C@@]1(C)CC=C(C)CC1	2215819908	ZPDGQNNPSZFDPH-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H](C)CC(C)(C)C)CC1	2215824637	VLUYFJNXFSCQMV-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)[C@@]1(C)CC=C(C)CC1	2221618667	KAEZBDYCAAYBHB-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(C2CCCCCC2)CC=C(C)CC1	2221666873	RTAOQGSAFOCVDJ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)c1c(C)cccc1C	2222013704	KUMJCWCYDKCVKJ-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
C(=C/c1ccccc1)\C[C@@H]1CCCc2cccnc21	2226210194	IHGPSWYZEHNEEM-VCIFKONDSA-N	249.357	4.605	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cccc(C)c1Cl	2244775106	KSSNHMBSPUGYHC-BXUZGUMPSA-N	240.774	4.508	0	10	BJAE	
CCC[C@H](CC)C(=O)[C@H]1CCCC(C)(C)C1	2244786533	VAJROJARQOURJA-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1CCCCC12CC2	2246617874	PNAGUMMKAMDISP-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](N)CCC[C@H]1CCCCC12CC2	2246628677	ZUOHKVFLXCLFTA-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)CC1=CCCCC1	2247159370	MVNVJHLFHPIMIG-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CCCC[C@@H]1C[C@@H]1C	2247177036	UABPNKGTKWZOHH-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)[C@H]1CCCC[C@@H]1CC	2250364109	CYKIKHSMVOWOLY-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1CCCC[C@H]1C	2250467722	VFRJKZHQGPQYCN-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CCNC[C@@H](C)CCC[C@H](C)CCCC(C)C	2250468936	JOFPHUZIJIXGPQ-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@@]1(C)C[C@@H]1F	2250512952	CCWMWLILUKAWNF-YDHLFZDLSA-N	242.378	4.546	0	10	BJAE	
C[C@H](CC(=O)C[C@]12CCC[C@@H]1CC2)C(C)(C)C	2251199996	CUBWCKJVFZPTMT-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
C=C=CCCCc1c(C)c(C)c(C)c(C)c1C	2252638878	YIGRQESEMOXNQZ-UHFFFAOYSA-N	228.379	4.893	0	10	BJAE	
CCC(C)(C)c1cnc(-c2cccc(F)c2)s1	2252748250	KMXZTFOIIJKPCA-UHFFFAOYSA-N	249.354	4.637	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCCCC12CC2)C1CCC1	2253800733	BASROYNAGDAFKR-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2C[C@@H]2C2CCC2)C1	2253930303	MKVRMXICENXAJA-RRCSTGOVSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC=CC[C@]1(CN)CC[C@H]1CCC[C@@H](C)C1	2253940290	YZSYTIJMGYVSQS-YYIAUSFCSA-N	249.442	4.524	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2(N)[C@H]3CCC[C@H]2CC3)C1	2254006283	YVNXGZJVGRMPAM-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)CC(C1CC1)C1CC1	2254590864	XKSYFEBAJLUQFI-IUODEOHRSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC12CCC2)C1(C)CCC1	2254824364	GKOSMKHXSPCERP-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC[C@H]1CCCC12CC2	2255314216	YWJJRXOMICMIIH-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCCC[C@H]1CC	2256115590	OTCRHLHDIQHPQX-IUODEOHRSA-N	249.373	4.769	0	10	BJAE	
CCC1(C)CCC(N[C@H](C)[C@@H]2CC23CCC3)CC1	2256440595	UAEANXJTBLYAOK-CIDNJEQPSA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@H]1CCCCCC1(C)C)[C@H]1CC12CCC2	2256447649	OECKCSNAKAVYCL-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CC[C@@]1(CC2CC3(CC(C)C3)C2)CCCCCN1	2259562664	HNHWLGUMBDTNQE-GZUIOVLMSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)[C@@]12CCCC[C@H]1CC2	2260525883	YUVSQAHFUXLVGB-UMPJEAMMSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@]12CCCC[C@H]1CC2	2260561870	ONVVLKYYJRSDPU-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC(C)C)c1cccc(C2CCCC2)c1	2260673935	LWOPTMCFYZWLFV-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H]1CCNc2ccc(F)cc21	2261337523	GNYWWPZVJUJXPW-NWDGAFQWSA-N	247.357	4.551	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(C[C@@]23CCC[C@@H]2C3)C1	2261386950	UQWJVYQORREPNF-XOKHGSTOSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN2CCCCCC2(C)C)CCC1	2298882313	SVBGHICLIODJGP-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CCCCCC1(C)C	2298882463	YZMMQSIMFTZLHV-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CC(C)C[C@@H](C)Nc1cc(F)ccc1C(F)F	2300827381	YXBZKQCIAJFVIN-SECBINFHSA-N	245.288	4.610	0	10	BJAE	
CC(=CCn1cc(C)c(C)c1)CCCC(C)C	2300896781	MHDNOLMEXSWPAH-UHFFFAOYSA-N	233.399	4.878	0	10	BJAE	
CC(=CCCC1CCOCC1)CCCC(C)C	2300929371	OOKJYJLGDJQZTP-UHFFFAOYSA-N	238.415	4.966	0	10	BJAE	
CCC[C@@H](CCCC1CCCCCC1)NCC	2301142742	MFRVXVFGOAFLQI-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)CC1CCCCCC1	2301146231	WVHWDPAKVOOANX-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)CCC1=CCCCC1	2301925838	IWISHZCXCFHQQI-HOCLYGCPSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCCC[C@H]1c1nc(CCC2CC2)cs1	2302266636	DKHSFGQGTPDUNM-BXUZGUMPSA-N	249.423	4.779	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CCCC1=CCCCC1	2302313572	RFCUJIWAKGWFSB-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1CCO[C@@H]1CCCCCC1=CCCCC1	2302350281	ZOUQEGPKJFAWDH-GDBMZVCRSA-N	236.399	4.862	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)CCC(C)C	2302356789	RCYXASZDENZBMF-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCN(CCCC1=CCCCC1)C(C)(C)C	2302358533	HNDJAQGVQCNAOR-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@H]1CCCCCC1=O	2303462508	SEBWPCRQJHBLAL-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1CC[C@H]1C(C)(C)C	2303502427	APOMKGOBFBGKKS-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)[C@@H](C)C(C)(C)C)CC1	2303524620	SIPNGTHEWHATTO-ILXRZTDVSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CC[C@@H]1CCC(C)(C)C1	2304436154	RFWKCUSGLOZCDK-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@](N)(CC)CC[C@@H]1CCC(C)(C)C1	2304447543	PCNSNKMRSBHNQD-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCC(C)(C)C2=O)C1	2304447774	RCRXQEUGRWRDBL-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H](C)C1(C)CCCC1	2307747702	SAFHFYKBXGQZNK-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](CC)CN(C)c1ccc(CC)cc1	2307760653	JUBLTROHSJUFSF-OAHLLOKOSA-N	233.399	4.512	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)C1(CC(C)C)CC1	2307819594	NPSYFEUZCGJIIX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@@H]1C[C@H]1CC	2307902013	JMBOFAXSZNKXGB-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cc(F)ccc1C	2307923944	MLLUUAGUXVLOMN-LBPRGKRZSA-N	236.330	4.533	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2310890085	YCDRMZRILLJWSD-NBFUAULTSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@](C)(NCC[C@@]23CCC[C@@H]2C3)C1	2311016409	OMZWCZRORIKNAR-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311609830	QYTWMDLYESIZBY-FMKPAKJESA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311611244	QXKBXAIUCNMXFZ-FAYQHZLMSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCCCC1CC1)[C@@]12CCCC[C@@H]1CC2	2313291906	FDVWKIHCDWOGCD-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@H](C)CC1CCC1	2313586010	BNQALSPVKKIIEI-RHSMWYFYSA-N	246.394	4.501	0	10	BJAE	
CCCN[C@H](c1ccc(C)c(CC)c1)C(C)(C)C	2314703509	XIKJUPCJEYNQTP-MRXNPFEDSA-N	247.426	4.644	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CC(C1CC1)C1CC1	2316504589	VJRHCMCGOIBRCX-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CCC2(CC2)C1	2316511994	YKNOPXAHONNBCE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@H](O)c1ccc(C2CCC2)cc1	2316534083	AAHBTVYWHHOOCZ-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CC[C@H]1CCC(=CC=C(C)CCCC(C)C)CN1	2316566183	VFMFDPMIERYLAX-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CC1CCCCCC1	2316879628	GFCAIMVXAHCVHW-UAGQMJEPSA-N	249.442	4.667	0	10	BJAE	
CCCC1(CNc2cc(F)ccc2C(C)C)CC1	2317919815	IRBAUYVDQZCBSV-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H]1Nc2ccccc2C[C@H]1C	2317950416	JCZOUPPVQOJPKD-FHIRATQRSA-N	245.410	4.588	0	10	BJAE	
C[C@@H]1[C@H](C(=O)[C@@H]2CCCCC23CCC3)CC1(C)C	2318241145	ODFLUUXUJMWFND-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
C[C@]1(CNCCCC2=CCCCC2)CC=CCC1	2318514758	FWPKQBSAGGUYLR-KRWDZBQOSA-N	247.426	4.603	0	10	BJAE	
CN[C@@H]1CCC[C@@H](C)[C@H]1CCCC1=CCCCC1	2318573871	XCRGBNRJPXLTDT-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1C[C@@H]2CC[C@H](C1)N2CCCC1=CCCCC1	2318594299	DVNJJZXJZFABEL-ZXFUBFMLSA-N	247.426	4.530	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C[C@@]12CCCC[C@@H]1CC2	2318931550	QWHQXTHUOJBEIU-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCCC[C@H]3C[C@H]32)CC1	2319454198	OPDGAPPJXDTUSA-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(C(=O)CC[C@@H]2CC[C@@H]2C2CC2)C1	2319694898	ACXCZCUBYOJQNU-UJEKJILKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC[C@H]1CC[C@@H]1C1CC1	2319733948	MVTWKSAZHSLHLF-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CCCC[C@@H]2C(C)C)CC1	2320238375	UJUVROOGPRFXKR-BRWVUGGUSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@](CNC(C)C)(C2CCCC2)CC1	2320261661	ROECDGBROLGGFT-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(O)C=CCC(C)(C)C2)CC1	2320341672	WSVBPKNHYVQLHA-DOTOQJQBSA-N	248.410	4.620	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC(C)=C(C)C1)C1(C(C)C)CC1	2320388593	RJNOQLBPYIRJRI-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CNC[C@@H]2CCCC[C@@H]2C)CC1	2320412541	OPWGNPAJIZSVQP-UAGQMJEPSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C2=CC[C@@H](C)CC2)c1	2320523337	LZXYZLOJVBEJAX-DYVFJYSZSA-N	243.394	4.556	0	10	BJAE	
CC(C)=CCC[C@H](O)c1cccc(C2CCC2)c1	2320650993	AKYPZXIWNCDUND-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
C(CCCC[C@H]1CC2(CC2)CN1)CCCC1CC1	2321250027	GGMFXUKBRNGLRT-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC(C)CC12CC(C(=O)CCC[C@H]3C[C@@H]3C)(C1)C2	2321572012	PKEXORAIICXZPK-JCAIJIATSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@]2(O)CCCC[C@@H]2C)c1	2327696754	IDHYGNZWIPAIGP-WMLDXEAASA-N	246.394	4.516	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)c1cc(C)cc(C)c1	2328295679	WOZWIFCCFVXPNI-WBVHZDCISA-N	247.426	4.694	0	10	BJAE	
CCC[C@@H](C)Nc1ccc(Cl)c(Cl)c1	20006008	UBPLQROJZIBXCZ-MRVPVSSYSA-N	232.154	4.594	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1C[C@H](C)CC(C)(C)C1	20018901	BIQCUALRBLRZRA-FZMZJTMJSA-N	249.373	4.761	0	10	BJAE	
CC(C)(C)[C@@H](N)c1ccc(C2CCCCC2)cc1	20019315	QEGPTOZDHSZSND-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CCc1ccccc1N[C@H]1C[C@H](C)CC(C)(C)C1	21520573	ZYDYOWNQTMNOJA-ZFWWWQNUSA-N	245.410	4.876	0	10	BJAE	
CCCN[C@H](CC)c1c(C)c(C)c(C)c(C)c1C	35578963	GCVOLAKZFTTWRU-MRXNPFEDSA-N	247.426	4.679	0	10	BJAE	
CC(C)=CCC[C@@H](C)c1cc(O)ccc1C	36467491	RGTJDKFRWYQBMH-GFCCVEGCSA-N	218.340	4.551	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H](C)C2(C)CC2)cc1	36953512	OJLMIDBEIBTUIV-OLZOCXBDSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)c1cccc(Cl)c1	37219242	AASDUKFPTJGBAI-NWDGAFQWSA-N	239.790	4.569	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@@H](C)CC2CC2)cc1	70100594	UGJHAXCETTYMBP-KBPBESRZSA-N	245.410	4.649	0	10	BJAE	
Cc1ccc([C@H](N)CCC(C)C)c2ccccc12	79904714	BVQQCDFNCQCXOY-QGZVFWFLSA-N	241.378	4.584	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCC(C)(C)CC2)C1	86897469	ZNROMCNGXIAEGH-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)CCCC	87399042	WGNCBOQWBKGBSZ-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)COc1cc(C)cc(C)c1	87439668	JTGHDJOZNKUQRG-HNNXBMFYSA-N	234.383	4.899	0	10	BJAE	
CC[C@H]1CCC[C@@H](Sc2cc(N)ccc2C)C1	91942165	LMOIUHOCYHUMAE-GXTWGEPZSA-N	249.423	4.638	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)c1ccc(CCC)cc1	92596325	KYBIFGUEDAKAEO-YOEHRIQHSA-N	247.426	4.521	0	10	BJAE	
CCCC1CCC(N[C@H]2CCCC2(C)C)CC1	94308160	ODAGGZUXNFAZCI-NRXISQOPSA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC([C@H](NC)C(CC)CC)CC1	94676693	ITIRNXJPKLMJLX-AVVWSFFYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)Oc1cc(C=O)ccc1C	97905475	SIIKLVQGPNOFPU-CQSZACIVSA-N	248.366	4.545	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC(CC)CC)CC1	147999218	FMHOJOISWRIEPY-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
Clc1cc2c(Cl)ccnc2c2ccccc12	149529923	FLYHOHQYYBIIJT-UHFFFAOYSA-N	248.112	4.695	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CN	150150906	LJPWPTZFFFEXIL-ARFHVFGLSA-N	239.447	4.748	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1ccccc1C(C)(C)C	162502278	LONPHWIWCKJVKX-BBRMVZONSA-N	247.426	4.681	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2(CC)CCCC2)C1	166303684	AZHXYWUMBUEPQC-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C)CC(=O)C1(CC(C)C)CCCC1	168050200	JAKYXEGGWARGHB-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCCC[C@H]2C(C)C)c1	214630442	JULOSVAOQPJLGH-HOTGVXAUSA-N	249.373	4.761	0	10	BJAE	
CCC[C@H](CC[C@@H]1CC[C@@H](C)[C@@H](C)C1)NCC	221313340	DBOYIVZFGMZNQP-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@H]1CNC1CCCCCC1	226579263	DKGUGYPWKNQRCA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)[C@H](O)[C@@H](c1ccccc1)[C@@H](C)CC	228888342	DVIMOOXYQMDQCV-XKQJLSEDSA-N	248.410	4.613	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(O)C1CCCCC1	229118985	PKGPNEXJZAJEEX-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC1(C(=O)c2c(C)cc(F)cc2C)CCCC1	232908220	UHKJZNMVMMRKIK-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCc1ccc([C@@H](C)NCC(C)(C)C(C)C)cc1	234137876	QPFQQRJBXLBGBL-CQSZACIVSA-N	247.426	4.582	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2ccc(C)cc2C)C1	235403676	KIEAMZRNEVOOLR-XJKSGUPXSA-N	243.394	4.708	0	10	BJAE	
CCCCc1ccc([C@H](N)CCC(C)(C)C)cc1	302401014	QNRWGCRSKXBOPG-MRXNPFEDSA-N	247.426	4.855	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C(C(C)C)C(C)C)c(C)c1	302509319	BRFMGLJZDRFCAM-KRWDZBQOSA-N	248.410	4.573	0	10	BJAE	
C[C@H](CCC1CCCCC1)[C@@H](N)c1ccccc1	305895183	DPIHVHCEVJNRBY-RHSMWYFYSA-N	245.410	4.683	0	10	BJAE	
CC1(C)CCC(O)(CCC2CCCCC2)CC1	305897197	OMAKHUQQZUFTRO-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCc1cc2c(CC)ccc(Cl)c2s1	306818196	JKWBHTNWMRSSDF-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CSc1sc2cc(Cl)ccc2c1C	307381608	ABNZIIZFIPWACO-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC(CC)(CC)CN[C@]1(C)CCCC[C@H]1C	308722950	QUXOTLRKEDEZRU-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C[C@H](N)C2(C)CCCCC2)CC1	310123530	IORASLWCDHZXBX-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@@H](O)c2csc3ccccc23)CC1	310414733	XOCQQRSJLLEWOV-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
C/C(=C/CCNC(C)C)c1ccccc1C(C)C	310878875	VJKMTHOLGBAVDN-DHDCSXOGSA-N	245.410	4.601	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@@H](C)CCC(C)(C)C	311023612	VJNYDWPVCKAZNS-LSDHHAIUSA-N	247.426	4.860	0	10	BJAE	
CCCC[C@@]1(CNCCC)CCC[C@H](CC)C1	319275241	LXJDIVHIYYEEJQ-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
Cc1cccc([C@@H](O)[C@@H](C)C2CCCCC2)c1C	380946453	OBVNEYIGKCWGBW-YOEHRIQHSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1CCC[C@H](C)C1	381412032	TUWGIJBXNRGZMH-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@H](C)CC(C)C)NC	382668003	YBQHXESUGHQSQO-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCC[C@@H](C)CNC(C)(C)C	383284176	PQNSZMKZYNDCDG-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC[C@]1(C[C@@H](C)C2CCCCC2)CCCN1	383678401	QCEGIWXVXOSLLN-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCC1([C@H](CCC2=CCCCC2)NC)CCCC1	385904352	POYGPENIDGDOND-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(-c2ccccc2C(F)(F)F)s1	390229629	FXBLTNHIYKSWNM-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
CC[C@H](C)CCNc1ccccc1C(C)(C)C	394448131	KBBFSICADOHQHZ-ZDUSSCGKSA-N	233.399	4.832	0	10	BJAE	
CCCN[C@@H](C)/C(C)=C/C1(C)CCCCCC1	394808621	YOYRLNDPTVKBRW-BUYIWHAFSA-N	237.431	4.681	0	10	BJAE	
CCOc1ccc2c(C(F)F)c(C)sc2c1	396241896	MBBYSJPOBQUILY-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
C[C@H](CCC1CC1)NCCC1CCCCCC1	398095337	FAUSQMKQVAPGCY-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Clc1ccc2c(C3CCCCC3)c[nH]c2c1	527401153	CRYKELQLIUTLGG-UHFFFAOYSA-N	233.742	4.869	0	10	BJAE	
CCC(C)(C)CCN[C@@H](C)c1ccc(C)c(C)c1	686310893	OZMNYFAPBBSYKI-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
C[C@@H](C[C@H](N)CCCC1CCC1)CC(C)(C)C	688367544	GHPDGNXNWWJLIT-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)c2ccoc2)c1	689615582	VGGYJOYQTBYOPY-LBPRGKRZSA-N	243.350	4.578	0	10	BJAE	
CCSc1cccc(N[C@H](CC)[C@H]2C[C@H]2C)c1	689683674	DNUUYRQQBNILMU-BYCMXARLSA-N	249.423	4.645	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1Nc1cccc(Cl)c1	691068463	MDZDFWISAGQSAZ-RISCZKNCSA-N	237.774	4.721	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cc2cccc(C)c2o1	696558293	CDUATQCECVXKIO-CYBMUJFWSA-N	246.350	4.601	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@H]1CCCCC1(C)C	696577536	YKXNWHYIULJPJI-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CCC[C@@H]1C	697762056	RPNJNZWDJXVJEU-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCc1ccc(NCCCCC(C)C)cc1	703998232	MVOXJRMBXJPUPH-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CCC1CCC([C@@](C)(N)CCC(C)(C)C)CC1	704850376	BJWFCCXHGXGLGH-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCC[C@](C)(N)CC1CCCCC1	704890430	RYQWLXUOHROPGV-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC(C)(C)CC(F)F	709136908	VYINAAVFIFULJC-SNVBAGLBSA-N	248.357	4.699	0	10	BJAE	
C[C@H](CC(=O)c1ccoc1Cl)CC(C)(C)C	709210111	GTNOBDMOOPBQBU-SECBINFHSA-N	242.746	4.578	0	10	BJAE	
CC[C@H](Nc1csc(C)c1)c1cccs1	710705775	ONJMWQSPHKJTDR-NSHDSACASA-N	237.393	4.681	0	10	BJAE	
Cc1cc(N[C@H]2C[C@@H](C)c3ccccc32)cs1	710706451	VTYDPXGHIDWLOM-BMIGLBTASA-N	243.375	4.717	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(CN)CCC=CCCC1	718971107	OJOXMCLUNKLYTK-HZPDHXFCSA-N	237.431	4.524	0	10	BJAE	
CC(C)c1ccc([C@H](N)CC2CC(C)(C)C2)cc1	723597004	HJHKZULRRQNCQW-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
C1CCCC(CCN2CCC[C@@H]3CCC[C@@H]32)CC1	1307477572	CQQQSTUCTOHSFQ-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
C1CCC(SCCSC2CCCC2)CC1	1458795860	YJVSMPNZGCQUPL-UHFFFAOYSA-N	244.469	4.728	0	10	BJAE	
Cc1ccc(N(C)C[C@H]2CCC[C@H](C)C2)c(C)c1	1621237088	DCSMTVKLAMLCLI-BBRMVZONSA-N	245.410	4.566	0	10	BJAE	
CCCC[C@@H](O)CCC[C@@H]1CCC(C)(C)C1	1903418462	VGHDGCGGEVGAGQ-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)COc1cc(C)ccc1Cl	1905295767	XBNLAXRLILEIAR-LBPRGKRZSA-N	240.774	4.854	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCCC[C@@H]1C	1905364511	ZBGBDJNHOVXJIC-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC[C@@H](CC)C1	1905395037	YLOGVLDQGRWDEO-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCCc1coc2c(Cl)ccc(Cl)c12	1907221134	PFPKORAYDNWNOL-UHFFFAOYSA-N	229.106	4.692	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CCC[C@H]1C(C)C	1907594198	NALQPGUWMVYYIR-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(O)CCCCCC1(C)C	1908564709	SCXIJSPGXJPNOK-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@](C)(O)C1(C)CCCCC1	1910693339	IBRFTUULCGNDIB-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@@H]1CCCC(C)(C)C1	1911267910	CQEMVNAJGIQJTG-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@@H](N)C1CC(C)(C)CC(C)(C)C1	1911860888	YOQYFABIMAWJRD-OAHLLOKOSA-N	249.442	4.689	0	10	BJAE	
CCCC[C@@H](C)C(=O)CCC=Cc1ccccc1	1911895872	QTRGWBLIDUUHCG-OAHLLOKOSA-N	244.378	4.875	0	10	BJAE	
CC(C)(C)[C@H](O)CCCCC=Cc1ccccc1	1912021006	ZFJVDMZKGBOKQU-MRXNPFEDSA-N	246.394	4.667	0	10	BJAE	
CCCCC1(CNCC)CC2(CCCCC2)C1	1912568306	IYULKMLQNORYDS-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1CCC[C@H](C)C1	1919522255	HOMCAQSHQFOUGC-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CCNCC1(CCCC(C)(C)C)CC(CC)C1	1921164921	AUOFSGCLQFRYPB-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
NC1(CCCCCC2CC2)C[C@H]2CCC[C@@H](C2)C1	1923468833	MMQKVDULGPXRRV-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)CCCCCC1CC1	1924103658	CXHXDWAHNOYVSR-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@H](C)C1CCCCC1	1924104908	HOAIAONCVVICNG-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1C=CCCCC1)C(C)(C)C	1925765703	UTQUHTXPTCPXSD-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1CCCCCC1	1925768906	MQALBXRARIGOJE-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@H]1C=CCCCC1	1925775736	WZVFMHUNIVJKJI-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
C1=C[C@@H](Cc2cncc3ccccc23)CCCC1	1925829741	JVAYSHGDVXRVQU-CQSZACIVSA-N	237.346	4.524	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1ccsc1Cl	1933795501	ANAFVXIMMIPLCW-SNVBAGLBSA-N	245.819	4.618	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)c1cc(C)cs1	1939458590	NIDWQNBHUGFIKH-JSGCOSHPSA-N	240.412	4.552	0	10	BJAE	
CC1(C[C@](C)(N)C2CCCCC2)CCCCC1	1940411623	XLYKMRSLUSOXQC-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1(C)CCCCC1)NC	1940413614	FEWYTSAQXSHLGK-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC(=C(C)c2cccc(N)c2)C1	1940982397	YNQSDUODEJRYSF-CYBMUJFWSA-N	229.367	4.643	0	10	BJAE	
c1cc2cc(N[C@@H]3CC[C@@H]4CC[C@@H]43)ccc2s1	1941027071	HFAKFIRWWASMEW-LEWSCRJBSA-N	243.375	4.502	0	10	BJAE	
CCC1(C[C@@H](O)[C@@H](CC(C)C)C(C)C)CCC1	1941243224	KAMJIIKBOKILNL-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CC1([C@@H](O)CCCC2CCC2)CCCCCC1	1941470637	SQCSCVQGRRGTKF-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@@H](C)CCC(C)C	1942653967	WIGPKPKYYYSDAO-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCCC[C@H]1C(C)C	1942800212	YNQCATDAFKRPAY-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NCC)[C@@]12CCCC[C@@H]1CCC2	1944156877	UVXJCYAYVYDYIF-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CNCCC1(C)CCCCC1)C(C)(C)C	1945433061	WMWFEESKTHWRGW-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@H]([C@H](O)CC2(C)CCCCC2)C1	1945594477	CBXYREBJIVZVJE-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@H]1CCC(C)(C)C1	1945595031	VYIQXVXKMJYPMA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](C)(O)c1csc2ccccc12	1945611049	ASEWEAWPMBTJRL-OAHLLOKOSA-N	248.391	4.689	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)C1CCCCC1	1947468211	NLYVALPRSDTHPM-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)C[C@H](C)CC(C)(C)C	1947511208	VMWHEHDMOVZYPZ-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(O)CCCCCCC1	1947547746	SHEVPBDYPSRAPG-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCCC[C@]1(CO)CC12CCCC2	1948142299	RHGMQAURVBQXBA-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CCC(C)(C)CC	1949012937	DLBTXKKRTMZNJH-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)CCCC1(C)CC1	1949054520	MKTBEHYNKPUFBB-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCC[C@H]1CC1(C)C)C(C)(C)C	1949830925	PEKCHCAVJXIGAY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](N)CC1CCCC1	1949861875	KHQPQUSQDRUWGT-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC=C[C@@H](C)Cc1cc(C)c(OCC)cc1C	1951308580	JFYFYSHOCMNCFV-CYBMUJFWSA-N	246.394	4.847	0	10	BJAE	
CC(C)=C(C)CCC1=CCC(F)(F)CC1	1959758151	HMGPWIAFJHYEKM-UHFFFAOYSA-N	214.299	4.869	0	10	BJAE	
CCC1(CC)CCN([C@@H](C)CCC(C)C)CC1	1963182113	ODQQGIKFWQFIJH-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
C[C@H](NC1CC(C)(C)C(C)(C)C1)c1ccccc1	1968242770	NMCDBSHSOJTVEG-ZDUSSCGKSA-N	245.410	4.552	0	10	BJAE	
Fc1ccc(N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)cc1	1968254568	JKNJJRZDLYDKQT-YWVIFJGQSA-N	247.357	4.597	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc(-c2ccc(Cl)cc2)n1	1968396512	MONIWDHKXQDPLX-LDYMZIIASA-N	249.766	4.587	0	10	BJAE	
CCCC[C@H](CC)CNc1c(C)cccc1OC	1968540904	KUHZDGXDXDTUOZ-AWEZNQCLSA-N	249.398	4.632	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1CC[C@@H](F)C1	1968602443	KXWWBOHHTDEEDP-DZGCQCFKSA-N	249.373	4.669	0	10	BJAE	
CCC[C@@H](C)N[C@@H]1CCCC2(CCCCC2)C1	1968900795	WWEZZEJYLPQALB-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CC1(C)CCCC[C@H]1CN[C@H]1CCCCC12CC2	1972744667	OBMLVKUMCVLIGM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](NC)C1(CCC)CCC1	1978537912	FHOWITBKCACOCU-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC1(CCC)CCC1	1988464805	TYRSDIDZMVXNCX-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCCC1(C[C@H](N)C(C)(C)CCC)CCC1	1988465070	WYYSNNGEHNOHPA-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@H](CC)NCCCC1CCC1	1990099978	NGKWKPKYPRVOKO-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)CCCCC(C)(F)F	1993584446	BUVUTILSSVNFQX-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@@H](C)CC(C)C	1995213888	HORZQHJVEWYVLH-KGLIPLIRSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC(C)(C)CC	1995261306	CXHMJGVORYNAGE-UONOGXRCSA-N	228.420	4.780	0	10	BJAE	
CCC[C@@H]1CCCCN(CCC(C)=C(C)C)C1	1995751536	KHOACUJHWWWTQF-MRXNPFEDSA-N	237.431	4.635	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@]1(C)CC=CCC1	1997548945	KYYJHXSTUUQQKE-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@H]1CCCC(C)(C)C1	2000052997	ZQBLOASGAMQEOY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1(C(C)C)CCC1	2000195213	ORVRLNIJNMEMCT-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCCC(C)C)CCCC1CCC1	2000315190	JUONTGORAGOKGP-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)C[C@@H]2CCC[C@@H]2C1	2000821145	SYMBZHCVKYWNMM-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@H]1CC12CCCCC2	2001254544	JYIAXVNAYKHBAO-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@@H](CCC)C(C)C	2002508414	AZOBSTCVZHXKHQ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](O)C=C(C)C)CC1	2003097680	BTBFCTHQMGTNBU-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@H](N)C1(C)CCC2(CC2)CC1	2007699671	YNXXZWLBKBFOKQ-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](C)CC[C@@H]1N	2009417983	CWNLSNQVEVOEKR-UGUYLWEFSA-N	239.447	4.747	0	10	BJAE	
CCCCC1CC(N[C@@H](C)[C@H](C)CC(C)C)C1	2009716721	YGEHTCOTTVHCBC-QVOMUQBLSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(CC)[C@H](O)C1=CC[C@@H](C(C)C)CC1	2010727619	YKUZKJQHIKQCJI-UKRRQHHQSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)c2sc(C)cc2C)CC1	2010735220	BQUIDJQTPRAARH-TZMCWYRMSA-N	249.423	4.501	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011946455	BITNPMHDGBJTQR-ZSOGYDGISA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@H]1C[C@@H](NCC)CC(C)(C)C1	2012065373	WQLPXEYLBPKJAU-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC=C(C)C)CC(C)(C)C1	2012065766	XERAACXQWQFPCE-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@](N)(CCC(C)C)[C@@H]1CCCC(C)(C)C1	2013271743	VESSQHYKJGKTPZ-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC1([C@@](C)(N)C2=CCCCCCC2)CCCC1	2014323492	JZEQQAVPZHJPDO-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(C)CCC1(N)CC(CC(C)(C)C)C1	2014654743	GIXHBKHLFZKANM-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(CC[C@H]1CCCC[C@@]1(C)O)C(C)C	2015348175	UPGJIMNPORQNAO-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCCC[C@H]2C)CCC1	2015585042	WRMZMZUNTZTALD-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC[C@@H](C)CC2)CCC1	2015643049	XUIQEJYFZSQSPU-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC1([C@H](O)C[C@H](C)CC(C)(C)C)CC1	2015759949	DKIQGZQVMBMIEK-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C1(C[C@H]2CCCC[C@]2(C)O)CCC1	2017117305	UGNPUTDSYJOTIY-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)NCC1(C(C)(C)C)CCC1	2017137401	WGUUSTNZSWSTPS-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C1(C(C)(C)C)CCC1	2017137610	ZGJZPJYZVCGPDA-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC1(C(C)(C)C)CCC1	2017140863	ADZBNUAKMPHMNB-CYBMUJFWSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C(C)=C(C)C	2017488133	VIUGDJKXRJSRTQ-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CCC(C)(CC)[C@@H](C[C@H]1CC[C@H](C)CC1)NC	2017722783	HSQUZBDKYZGDSO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@H]2CC[C@H](C)CC2)C1	2017773862	GTRHGKQLMSTTQS-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)N(C)[C@H]1CCCC(C)(C)C1	2018187770	IAOGHRMDTRFDKN-CABCVRRESA-N	239.447	4.856	0	10	BJAE	
CCC(CC)N(CC)[C@@H]1CCC12CCCCC2	2019256762	PUKFQOGNGYVVMO-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CCCCCCN(C)[C@H]1CCC12CCCCC2	2019289786	DRKPUBCFQQHMNF-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CC[C@@](N)(CCC1=CCCCC1)c1ccsc1	2019866834	PEZZCVRPEYCRJA-OAHLLOKOSA-N	249.423	4.593	0	10	BJAE	
CC(F)(F)CCCC[C@@H]1CCCCCCC1=O	2023351855	CBCUALBYJZJQLZ-LBPRGKRZSA-N	246.341	4.742	0	10	BJAE	
C[C@H]1C[C@@H](CCCC2(C)CC2)Nc2ccccc21	2027836029	HBDMATGTZLZZDD-UONOGXRCSA-N	243.394	4.945	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)CCCC1(C)CC1	2027854063	BGFOVPRPSDPILL-HZPDHXFCSA-N	246.394	4.512	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)C(C)(C)C1CC1	2028105559	QNNSJTGZMQVHGU-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCc1cccc([C@@H](N)[C@H](CCC)C(C)C)c1	2028253258	VJLCYTIYYFRTSC-IAGOWNOFSA-N	247.426	4.711	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)c1ccccc1C	2028636402	IIDXFYRLEXNKIH-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C1=CCCCCCC1	2028750770	LWLPLQQHJHXXRQ-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CNC[C@@]1(CC2CCC=CCC2)CCCC[C@@H]1C	2028869185	FLRUYTCBLDHLNR-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1ccccc1CC(C)C	2028927724	QMCFWYHHQKXKNJ-ZFWWWQNUSA-N	244.378	4.504	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1ccccc1CC(C)C	2028931089	RMXWMZKOVUCVJG-JJRVBVJISA-N	248.410	4.601	0	10	BJAE	
CCc1ccccc1[C@H](NC)[C@@H](C)CCC(C)C	2029822705	FGLFTWWABHWQGU-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CCc1cccc(C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	2030243807	ZKYKSKKWILXKFN-VIKVFOODSA-N	244.378	4.504	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](C[C@@H]2C=CCCC2)NC)CC1	2035576147	MYTZLVSABQFKNF-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2C=CCC2)CC[C@H](CC)C1	2035587461	DQDCDLCHYCWBCF-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC([C@@]2(CNC(C)(C)C)CC=CCC2)C1	2036180306	QCZLONDQVLPPPR-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1	2036667968	UMMNRVUUOQCRFH-IVSAIRAKSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H]2CCC3(CC3)C2)CC1	2038579045	KZTFTLZZQVEQRU-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N)([C@H]1CCC1(C)C)C2	2038901104	RWDIDHDZBZEGPR-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC23CCC(CC2)C3)C1	2039353379	FRSSNMHBYACXAS-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@H]2C=CCCC2)CC1	2039386056	QYQJIMOENCNGJO-DOTOQJQBSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@@H]2C(C)=CCC[C@@H]2C)C1	2039437199	RSDYSGQUVJRHGW-DMRKSPOLSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)C2(CC)CCC2)cc1	2039726776	OHVAUEFMAWXEKQ-XJKSGUPXSA-N	246.394	4.814	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@H](N)[C@@]2(C)CC=CCC2)C1	2042019961	SPXGHULXQNTYRU-BIVLZKPYSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2CCc3ccccc3N2)C1	2045553545	JXWUEMQZNFNTSO-GDBMZVCRSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(C[C@H]2CC23CCCCC3)C1	2047012173	MTTKGXWLTAVCTH-PMPSAXMXSA-N	249.442	4.502	0	10	BJAE	
C1CCC(CCCNC[C@H]2CCC23CCC3)CC1	2047959033	NGCXRCAVANGLRF-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCC1(NC[C@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048448983	WICVAUZWDYAESY-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CC([C@]2(N)CCCC23CCCCC3)C1	2048628698	YFWANHIMQOINEB-VMBOVVBDSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)[C@H]1CCC[C@@H](C)C1	2049539424	GQZFSGZFCSTWLN-BNOWGMLFSA-N	249.373	4.761	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)c1ccccc1F	2050445917	VVYOYEPQOADNHY-INIZCTEOSA-N	248.341	4.530	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CCC[C@@H]3CC[C@@H]32)CC1	2052298794	FALLFZRPBPKIAG-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)[C@H]1CCCC12CCC2	2053363845	AMLYHDDTBQAXOY-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@H](N)[C@@H]2CCCCC23CC3)CC1	2053416767	VJVSBHMEDFZHQX-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@H]1Nc1ccc(CF)cc1	2055670900	BPBFJQRHPFDGIE-OAHLLOKOSA-N	249.373	4.927	0	10	BJAE	
CCCCCC1CC(N)(CC2[C@H]3CCCC[C@H]23)C1	2059497541	NXIUFLLYDFVBJV-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)C2=CC[C@H](C(C)C)CC2)C1	2061089618	VAYNYOKXROBLRD-OHFALNGGSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C1=CCC(C)(C)CC1	2061094732	ILXWDWZATAEVKD-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)C1=CC[C@H](C(C)(C)C)CC1	2061111975	AWFVVXJZQBJQRC-KEYYUXOJSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC1(C)CC1)C1=CC[C@@H](C(C)C)CC1	2061147466	OCSPOZGLLHBYLE-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@]1(CNCC(C)C)CCCC1(C)C	2061558075	RFNHSBZBYLDNFA-QGZVFWFLSA-N	249.442	4.550	0	10	BJAE	
c1cc2c(cc1CC1CC(=C3CC3)C1)CCCC2	2061719178	VWPMCCFSWXRIKV-UHFFFAOYSA-N	238.374	4.608	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	2062645486	FZSXNCMUHASRIE-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063500466	IHQPLUQNMGSHPB-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(NCCC23CCC(CC2)CC3)CC1	2065257545	DDFPLGNZFJTWRA-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NCCC12CCC(CC1)CC2	2065257930	GLABIPLUINGKCF-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC[C@@H](C)c1ccc(CN)cc1	2067356629	SIVFQRYFJXATTM-OAHLLOKOSA-N	247.426	4.855	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)[C@H]1CCC2(CCCC2)C1	2068270256	WEOXETGXQPVBMQ-LZWOXQAQSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@H](NC)C2(CC3CCC3)CC2)CCC1	2069565033	ZOMHRMAGBYKJNL-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC1(CC2CCC2)CC1	2069585067	MFILSHZAMOPWAD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1CC[C@@H]2C[C@H]12	2071224298	NYZUVQDBAPYPEL-PMPSAXMXSA-N	244.378	4.543	0	10	BJAE	
CC(C)Cc1ccc(C(=O)CC[C@@H]2C[C@@H]2C)cc1	2072083189	PDZVFTCKVVLZIB-XJKSGUPXSA-N	244.378	4.504	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)c2ccc(C)cc2)CC1	2072663514	UKKNWSCIDKSYNS-ZOBUZTSGSA-N	246.394	4.635	0	10	BJAE	
CCCC1CCC(C[C@H]2CC=C(CC)[C@H]2N)CC1	2072807751	ZIJSVCMLAYQDDL-GMGZGELVSA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CCCC=C2C)CC1	2072880724	ZEGZWFAPGMSPRV-JCYILVPMSA-N	249.442	4.811	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@]12CCCC[C@@H]1C2	2074092884	AJDWHWQHKIURAD-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CC1CCC2(CC1)CCN2[C@@H]1C=CCCCCC1	2074801528	GSAIZDBLDCDRQA-AQFXKWCLSA-N	247.426	4.530	0	10	BJAE	
CC[C@]1(C)CCCN([C@@H]2CCC23CCCCC3)C1	2075012657	KNOBGKVNAJTGIG-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CN[C@@H]2C(C)(C)C)CC1	2076160160	ODUWJUWQIFISNK-DZKIICNBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CCC3(CCCC3)C2)[C@H]1N	2076399373	BJSOVFBWPONRJB-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@H]2C[C@](C)(F)C2)cc1	2077724646	FCDOSKBSTCSENC-PJODQICGSA-N	248.341	4.521	0	10	BJAE	
CCC[C@]1(C[C@H]2C[C@@H]2C2CCCCC2)CCCN1	2079646079	VLYZSWRXUBRWAC-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCCC1(NC[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079650537	KTBWFUFCIHMJBF-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2C[C@H]2C2CCCC2)C1	2079667570	XWUBSGILWGYTAC-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1[C@@H](N)C[C@H]1CCC=CCCC1	2079991950	YBLWZEDLQKXHJL-JJXSEGSLSA-N	249.442	4.523	0	10	BJAE	
N[C@]1(CCCC2CCC2)CCC[C@@H]2CCCC[C@@H]21	2081134701	XCIBNYVCDRPXQF-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H]1CCC2(CCCC2)C1	2081777604	FQUXDHQDLWGDDJ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C=C2CCCNCC2)CC(C)(C)C1	2082989345	ZIAKFBFMFSXOCE-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@@H](CC1C2(CCC2)C12CCC2)NC	2083563407	AUNBDCDHEULEMN-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C(=O)CCCCCCC1CC1	2210527951	YHQWFLHYZGHBAW-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@](C)(N)CC1C[C@H]2CCC[C@H](C1)C2	2213295807	DEFLJWOKISFBLB-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
O=C(CCCCC1CC1)CCC1CCCCC1	2214560669	OVUGZHJGDPAKQU-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
Cc1cccc2c1ccn2CCCCC1CC1	2214574813	VZFSFPZFJTXFCE-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@]2(C)CC=CCC2)C1	2215440990	VDWSGLORRCPBCE-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC1(C)CC(C)(C)C1	2215441697	YKAHLPKSIVAXRS-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CC1=CC[C@](C)([C@@H](O)C[C@H](C)CC(C)C)CC1	2215819738	YKLMDGCDWMRNFQ-PMPSAXMXSA-N	238.415	4.556	0	10	BJAE	
CCC[C@]1(CN[C@@H](C)CC)CCC=CCCC1	2217129292	JXAWAYBLSJGVRM-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
C[C@@]1(C(=O)CC2C[C@H]3CCC[C@H](C2)C3)C=CCC1	2218374917	RVCOJFBALLWTEA-GRDNDAEWSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](C/C=C/c1ccccc1)[C@H](C)CC	2219081123	MAAUBQRUVGKFOJ-PZJZIFHPSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@@H](CC)CCC/C=C/c1ccccc1	2219096661	YFOGQZWXIOYDEV-VEMDQMBVSA-N	245.410	4.648	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C12CCC(CC1)CC2	2220027008	DVKYUWNJYHKMEV-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)C2=CCCCCCC2)CC1	2221633688	VOHZIHHFGCZNLL-DLBZAZTESA-N	247.426	4.731	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@H]2C=CCCCC2)C1	2222265332	ZVXHLCLDIVRASA-OWCLPIDISA-N	249.442	4.680	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC2CCC2)CCCC12CC2	2223564731	YTGHEEQOYSBKNY-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)c1ccc2occc2c1	2224162989	RHKNDSIRNJJERK-WFASDCNBSA-N	245.366	4.505	0	10	BJAE	
CCC[C@@H](CC)CNC1(CCC)CCCC1	2244808380	ZRUVTBGRMNBDFT-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
Clc1csc([C@@H]2CCc3ccccc3N2)c1	2245489966	IOQOSBBPIMYEHM-LBPRGKRZSA-N	249.766	4.501	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@H]1CCCCC12CC2	2246602913	NVPLOQBVKRWBGW-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)CCC(C)(F)F)C1	2246654416	AXRQLQVVIRTVNJ-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H](C)[C@H]1CC12CCC2	2248264537	FOSLYVPWSGKSSU-WCQYABFASA-N	249.785	4.639	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@H]2CC23CCC3)c1Cl	2248282642	GKVACWKVEUBKLM-NEPJUHHUSA-N	249.785	4.639	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cc(C2CC2)ccc1F	2250120987	MTRZFYDYFIUWFD-QWRGUYRKSA-N	235.346	4.550	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1C[C@H](C)C[C@@H](C)C1	2250377618	GJBASZBUNSROIA-VDERGJSUSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(N)C[C@H](C)[C@H]1C	2250513007	CPXPVRPHIDLCJW-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC1(CN)CCC1	2250514527	QCPSZKXILFGDKP-HNNXBMFYSA-N	239.447	4.748	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(N)CC(C)C	2250514890	UFPNUMDLZQVFMI-CVEARBPZSA-N	241.463	4.993	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@]12CCCC[C@H]1CC2	2251226695	YPELITOCVWECQN-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)n1CC1CC(CC(C)(C)C)C1	2251586643	AUUQLZCFHBJKHV-UHFFFAOYSA-N	233.399	4.567	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@H]1CC(C)(C)CCC1(C)C	2251681085	IMWYCTVGAYYCJQ-MJBXVCDLSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H](CCC1CC(C)C1)CC(C)(C)CC	2251750701	LHPGYZPTPQCZMO-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)c2ccc3ccsc3c2)C1	2253094446	SOVXAYOMFAMPGU-CMPLNLGQSA-N	244.359	4.520	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)C1)[C@H]1CC=CCC1	2253664423	RPHPBHCEXZEHMF-YZUHTNEWSA-N	249.442	4.537	0	10	BJAE	
CCC1([C@@H](N)CC[C@@H]2CCCCC23CC3)CCC1	2253856517	QZRMCMLKIBMHNH-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@H]2CCC3(CC3)C2)C1	2253931077	PLOZIMQSCMASKP-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)C[C@H]3CCCC[C@H]32)C1	2253932583	UYONACZTPVZHJA-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)CC2=CCCCC2)C1	2253994025	BUMAZLKBDCLCLT-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1C(=O)CC1CC2(CCCC2)C1	2254110056	DBXZNZHCGWQVFF-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)c1ccoc1C	2255061229	BWIPUIDWSGZKQQ-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCCC12CC2)CC1(C)CC1	2255284918	CVOPNLIVOWGOEY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1NCC1(C)CC(C)(C)C1	2256139173	KDSUTCZDZXIPKW-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
CC=C(C)[C@@H](NCCC)c1ccc(CCC)cc1	2256292884	BFOHAJRLEPKWBO-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](C)[C@H]1CC12CCC2	2256443453	OMVKTQXMOPSJLO-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N[C@@H](C)[C@H]2CC23CCC3)cc1C	2256451470	KNVMREQFAFILLN-XJKSGUPXSA-N	243.394	4.548	0	10	BJAE	
Cc1cc(F)cc(NCCCCC[C@H]2C[C@@H]2C)c1	2257322096	LIWIVXUPYQEDKE-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cc(C)c(C)c(C)c1	2258238115	KVVMECHKVUFMER-DOTOQJQBSA-N	245.410	4.993	0	10	BJAE	
CCCC[C@@H](CC)Oc1ccccc1C(=O)CC	2258835435	YBLKFHXPHGWJLH-CYBMUJFWSA-N	248.366	4.627	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@]23CCCC[C@H]2CC3)C1	2260658386	OWDDFXPDDDKQNG-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@]23CCC[C@@H]2CC3)CC1	2260686033	QPJUIEQJVRDDMN-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H]1CCNc2ccc(F)cc21	2261348364	LKDZICXZDLUMKX-AGIUHOORSA-N	247.357	4.551	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CCCCC[C@@H]1C[C@H]1C	2298474612	FKDWVMNCZXTYHC-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCN(C1CCCCC1)[C@@H](C)CC1CCC1	2298877517	CLHBSEUOCMQQGR-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
C[C@H](CC1CC1)[C@@H](N)C1(C)CCCCCCC1	2298943599	VNQQMVGGDOIWEA-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](N)CCC1CCCCC1	2300676483	PGVOJUOBXRDOQW-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCN[C@@H]1C[C@H](C)CC[C@H]1CCC(CC)CC	2300679853	XPLKSLRQXSYAAW-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN1CCC[C@@H](C(C)(C)C)C1	2300681311	NQYWJENIUONXIC-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](CC)CC[C@@H]1NC	2300684183	RAWJCDUXOGDYAH-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@](C)(N)C1CCC(CC)CC1	2300878108	XSICSCMGYMLSCY-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](C[C@H](C)[C@@H](C)C(C)C)C(C)(C)C	2301833884	UVIXJPYXPDKJLT-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C(C)(C)C(C)(C)C)C1	2302764105	UHEOAVPYGUERGT-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)(C)C1)C[C@H](C)CC	2302903387	ZEHJGTCMJFCFAU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@@H](C)C(C)C)c1	2303716707	AYARPSQBNNKGOS-CZUORRHYSA-N	234.383	4.526	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC[C@@H]1CCC(C)(C)C1	2304431831	OROSZCUMMAECLT-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC2(CCCC2)C1	2307828217	GZAFVJVCJVEEQB-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CCC)[C@H]1CC1(C)C	2307832567	UOHIGBORQUURSM-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(O)CCCCC(F)(F)C1	2307832620	UYUUDQGIGVVWLX-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1cc(C)ccc1C	2307840059	AZXLOKVMLZAPER-GOEBONIOSA-N	234.383	4.553	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)CCC1CCCCC1	2307903916	QOUPGVHTSINXRM-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)[C@@H]1C[C@H]1CC	2307909127	JMBOFAXSZNKXGB-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1(C(C)(C)C)CCC1	2307910133	XJASYPNYTXQCNH-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@@H]1CCC[C@H]1C(C)C	2309895289	HZPVSQLTALMWAG-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H]1C[C@H]1c1ccccc1	2311546828	AHLRSZIPJIMQOL-YESZJQIVSA-N	246.394	4.512	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN1[C@@H]2C=CC[C@H]1CC2	2313231642	HUAQCWRXBJPFHJ-ZACQAIPSSA-N	249.442	4.632	0	10	BJAE	
CCC[C@@](O)(c1ccccc1)[C@H](C)CC1CCC1	2313586009	BNQALSPVKKIIEI-PBHICJAKSA-N	246.394	4.501	0	10	BJAE	
C[C@H](CC1CCC1)C1(N)C[C@@H]2CCCCC[C@H]2C1	2313597351	ASKBGGZPMAIBJH-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@H](O)c1cccc(C(C)(C)C)c1	2316542298	OINQSLUOEWFTEA-INIZCTEOSA-N	246.394	4.764	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@H]2C[C@@H]2C1)CCCC(C)C	2316568768	SKCVOXALGANJJK-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1CCC[C@@H]2C[C@@H]12	2316887228	VVBTWUKPZWAGRD-UXLLHSPISA-N	248.410	4.742	0	10	BJAE	
CCCCc1ccc(-c2ccc(F)nc2C)cc1	2317803482	YJIQQHHBISWKAX-UHFFFAOYSA-N	243.325	4.539	0	10	BJAE	
Cc1cc2ncn([C@H](C)[C@H](C)C(C)C)c2cc1C	2317828771	UOAFJXSGRSNYKQ-ZIAGYGMSSA-N	244.382	4.506	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N1CCC[C@H]1c1ccccc1	2318006576	ABXDMVFARLZLRK-ZOBUZTSGSA-N	245.410	4.504	0	10	BJAE	
CCCCCCc1cc(C)cc(CNC(C)C)c1	2318375035	QAKDFQBJFGBDII-UHFFFAOYSA-N	247.426	4.616	0	10	BJAE	
CCCN[C@@H](CCCC1=CCCCC1)[C@H]1C[C@@H]1C	2318575116	BNHQHIOAYVBVLJ-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CCCC2=CCCCC2)C1	2318593461	VGDRXKDPZSRWMQ-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(N)CCC3(CCCC3)C2)C1	2319032346	XKDUJNHODNDIAG-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCC1(CC)CC(N)(CC[C@H]2CC[C@@H]2C2CC2)C1	2319748119	GXBOJXYXOPXTFV-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@H]1CC[C@@H]1C(C)(C)C	2320219512	MBLUOFDZXPZJKJ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CCC(C)=C(C)C2)CC1(C)C	2320326552	GGXGDSKDEHSGCS-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)C1CCCC1	2320412639	KJCBENGFDXAGPW-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)cc(N[C@H](C)C2CCCCC2)c1	2321091326	KWCWBDZWKSKWST-GFCCVEGCSA-N	249.373	4.769	0	10	BJAE	
CC[C@@](O)(c1cc(C)ccc1C(C)C)C(C)(C)C	2327701137	JDXZOUWIDQYLAO-QGZVFWFLSA-N	248.410	4.762	0	10	BJAE	
CCC[C@H](C=C1CCC[C@@H]1[C@@H]1CCCCN1)CC	2328086274	QYZAOWCLSLRDHQ-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CCc1ccccc1N[C@H](C)c1ccc(C)s1	19999065	TXQTZQDZPLRNFA-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CCCC(CCC)Nc1cccc(Cl)c1F	20472175	IAQKKEYYCBAYSX-UHFFFAOYSA-N	243.753	4.860	0	10	BJAE	
CCCCCN[C@@H](C)c1ccc(CCCC)cc1	20553633	OWJWHIWZBJYBNT-HNNXBMFYSA-N	247.426	4.870	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccc(F)cc1Cl	20594829	RODHMHNROKVFEM-JTQLQIEISA-N	243.753	4.716	0	10	BJAE	
CCCCCCN[C@@H](C)c1ccccc1Cl	21039834	KTEQYQCTLHSYMT-LBPRGKRZSA-N	239.790	4.571	0	10	BJAE	
CCCCCNC1CCC(C(C)(C)CC)CC1	21795533	ICABAWIKADXLPU-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC1CCCC1)c1ccc(C)cc1C	37864797	JPAREVCXWKHHFU-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](CC)NC1CCC(CCC)CC1	69378481	CWYYQDOWTPCALC-HWOWSKLDSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1cc(C)sc1C	71085912	WVYGHJVDDWBUPT-JSGCOSHPSA-N	240.412	4.615	0	10	BJAE	
CC[C@@H](C)c1ccc(C2CCCC2)cc1	75841072	BJDGWKMFSBDXKH-GFCCVEGCSA-N	202.341	4.858	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cccc(C=O)c2)cc1	84051798	IMQWXXFVTIEFPS-CYBMUJFWSA-N	238.330	4.680	0	10	BJAE	
C[C@H]1CCC[C@H](CNc2ccccc2Cl)C1	84340500	LYOYAUKKVKKUSK-RYUDHWBXSA-N	237.774	4.578	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCCC1(C)C	86873883	FZLJFHTYVVGSEG-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)CC(C)C	87399051	HDNXLWAUAPRGBD-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(=O)c1cc2cccc([C@H](C)CC)c2o1	88071817	QWARVAIMLGPGQW-SNVBAGLBSA-N	230.307	4.539	0	10	BJAE	
CCC[C@@H](NCC)c1cc2c(C)cc(C)cc2o1	88073997	PHSXPALHPPWPQA-CQSZACIVSA-N	245.366	4.500	0	10	BJAE	
CCCCCC[C@H](CNC(C)C)c1ccccc1	88098226	NJIUVVFUFWYWRU-QGZVFWFLSA-N	247.426	4.739	0	10	BJAE	
CCc1cccc(C)c1NCC1CCC(C)CC1	89576456	UKWQODAZFGILHH-UHFFFAOYSA-N	245.410	4.796	0	10	BJAE	
CCC[C@@]1(C2CCC(C)CC2)CCCCCN1	91874621	MDTOCJABQLUYFK-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
CCC[C@]1([C@H]2CCC[C@H](C)C2)CCCCCN1	91874860	PASISBQAJZZFPB-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C1CCC(C)(C)CC1)[C@H](C)CC	93188278	PKQMAMSRZQKEOT-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC(CN)(CCC)c1ccc(C(C)C)cc1	103995479	PDVSXRXEGSXNNA-UHFFFAOYSA-N	247.426	4.607	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)NC[C@H]2C1CCCC1	107254022	BBZFCEIIOBZTMB-HNNXBMFYSA-N	243.394	4.683	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)c1ccccc1C	109725481	ALKIMHSGTSTYQK-YOEHRIQHSA-N	247.426	4.862	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](CCC)CC[C@@H]1NC	111235567	JBJZJIAAFCNMLL-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@@H]1CC[C@H](C)[C@H](C)C1	124774854	JVGVUFFCCJOBFK-NPJQDHAYSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)NC1CC(C)(C)CC(C)(C)C1	124794860	SQMOJHOCFMIEBZ-CYBMUJFWSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@H](CNCCC)C1CCCC1	128238583	VLKZIHDBRZAJSV-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1C1CCCCCC1	149210021	MMTVKEXDPNNWQU-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)NC[C@@H](C)C(C)(C)C)c1	162658082	ZLYUDKYDDNWRFC-HUUCEWRRSA-N	247.426	4.636	0	10	BJAE	
CCCCCC[C@H](C)Oc1nc(Cl)cs1	164920191	ZSUNKHZGAMOIHO-VIFPVBQESA-N	247.791	4.534	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)c1cc(C)c(C)cc1C	168663293	CNFXIGMYALCLAI-SJKOYZFVSA-N	247.426	4.699	0	10	BJAE	
CC(C)=CCN[C@H](C)c1cc2ccccc2s1	228842954	UAVPDZPVVWBCGJ-GFCCVEGCSA-N	245.391	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@H](C)C(C)(C)C	229334681	GLEKLOZQIIAWLB-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
Cc1ccccc1N[C@H]1CCC[C@@H](C(C)C)C1	230986429	XHRGVIUFRSHULK-CABCVRRESA-N	231.383	4.622	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCC[C@@H](C(C)C)C1	231019900	WYFXWIVOXMMLJX-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@H](C)c1ccccc1	233123308	SOPSXCMNFPTGOW-WBVHZDCISA-N	247.426	4.595	0	10	BJAE	
N[C@@H](CC1CCCCC1)C1=CCCCCCC1	236299426	KCOXDPZXQNCJNH-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)c1ccc(C)c(C)c1	251921685	QETFWINWZMGFTB-VBNZEHGJSA-N	247.426	4.779	0	10	BJAE	
Cc1cc(C)c([C@H]2CCC(F)(F)C2)c(C)c1	258831337	PFPJHECSKPCVDU-LBPRGKRZSA-N	224.294	4.515	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(CC)c(C)c1	300847167	GJFVHQHJICJLQZ-CQSZACIVSA-N	219.372	4.548	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)CC1CCCCC1	300865054	GXSLJIREYAEOSG-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCOc1sc2cc(Cl)ccc2c1Cl	306555496	LWARJULERDGNGJ-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccsc1Cl	307326192	IUNRFEDOVXXHJB-MRVPVSSYSA-N	231.792	4.638	0	10	BJAE	
CCCCCC(=O)[C@@H](CCC)CC(C)C	308116133	VUXNXUJNIHNGHE-ZDUSSCGKSA-N	212.377	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1sccc1F	309196151	ALDPDVHKSWUIOD-PWSUYJOCSA-N	244.375	4.527	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](CCC)C1CCCC1	313450077	PSTHBIAHBNWQIS-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCNC[C@@]1(CCC2=CCCCC2)CC[C@@H](C)C1	317105225	BQOJSAYQEJGKBI-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CCC[C@@H](Nc1cc(F)ccc1C)C1CCC1	322269899	KCUSXFXEMQSWFD-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
CC1(C)CCC(CC2=C[C@@H](N)CC(C)(C)C2)CC1	380925557	FJYFDONGUAWIQN-OAHLLOKOSA-N	249.442	4.667	0	10	BJAE	
CCc1ccc(N[C@H]2CC3CCC2CC3)cc1C	381954416	DJCOCUQVRUVKQX-PGEKIEPBSA-N	243.394	4.548	0	10	BJAE	
CCCC1CCC([C@@H](O)[C@@H](C)CC(C)C)CC1	383841594	VIBXODDXSAUSHD-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CCC1=CCCCC1	384934449	IWADFMNXEFJSDD-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cscc2C)CC1	387352788	SJWHVMPCVYTSOH-STQMWFEESA-N	237.412	4.827	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C(C(C)C)C(C)C	390396654	PTBNWIBADKXRRL-CYBMUJFWSA-N	226.404	4.556	0	10	BJAE	
CC[C@@H]1CCC[C@H](/C=C(\CN)C2CCCCC2)C1	394503033	CRPVFNYFIMXBLO-XNINAAHTSA-N	249.442	4.668	0	10	BJAE	
CC(C)NC/C(=C\C1(C)CCCCC1)C(C)C	394787498	PKJYKKCJMUOBFL-RVDMUPIBSA-N	237.431	4.537	0	10	BJAE	
CCCCCC/C(C)=C/[C@@H]1CCCC(=O)C1	396148292	HAEXJMXMUJADNR-CMPYXILNSA-N	222.372	4.662	0	10	BJAE	
CCOc1ccc(CC)c2scc(Cl)c12	396184585	BTULUOPSQXRSLC-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1ccc(S)c2cc(C(F)F)sc12	396237128	HYZBHFNTNGAJBM-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
COc1cc(C(F)F)c2sccc2c1Cl	396298842	YGONDYYXPVECBA-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CSc1sc2ccc(C(F)F)cc2c1C	396407367	OFDOUYUWNWWQAA-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCCCC[C@H](CCC1CCC1)NCCC	398943071	XDIHFQABUAUEGA-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@H](C)C(C)(C)C	399102307	HYIGDXAEELJLGP-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)NC[C@]1(CC2=CCCC2)CCCC[C@H]1C	401086874	RYACHZKJDBRVHI-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](N[C@H](C)C(C)(C)C)c1cccs1	686247212	CADYATZJLNAODT-VXGBXAGGSA-N	239.428	4.614	0	10	BJAE	
CC1(C)CC(C(=O)CC2=CCCC2)CC(C)(C)C1	688317561	ZHZJYOPJSMKRAZ-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cccc(C(C)C)c1	688967171	JMQGQGXMLVHPCV-OAHLLOKOSA-N	233.399	4.636	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1CCC[C@@H]2C[C@H]21	690161475	OSEOBILGQYYJJQ-DJIMGWMZSA-N	241.378	4.555	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCCCC[C@@H]1C	691083212	UOSXRYQTAWNEGR-FZMZJTMJSA-N	235.346	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC(C)(C)C(F)(F)CC	691087957	XTQDGWNDFIKLJJ-LLVKDONJSA-N	249.389	4.602	0	10	BJAE	
CCC1(CC(=O)c2cc(C)c(F)c(C)c2)CCC1	694916814	NSWQAMXQVSVXMQ-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
C[C@H]1C[C@H](C(=O)C2CCC3(CC2)CC3)CC[C@H]1C	695665796	DKAMDXIJJRHNHO-VNHYZAJKSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc([C@H](CC(C)(C)CC)NC)cc1	696158239	LAEZXGMILCVERC-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cc2cc(C)ccc2o1	696177336	MLDDZAWXPYBGOY-ZDUSSCGKSA-N	245.366	4.567	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)c1ccc(C)c(C)c1	696256651	JDMWJOPYAHZVRY-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCCCC[C@]1(CNCC(C)C)CC1(C)C	702119428	UBGMWVYYWCFJMY-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@](N)(CC)[C@@H]1CC1(C)C	704824798	ZESNQIRCLRICDY-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)c1csc([C@H]2CCCC23CC3)n1	706288567	JJUWQYUVRXORKL-LLVKDONJSA-N	249.423	4.878	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@@H](C)CC(C)C	708312550	IJQMJEBKUIFIPJ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(C[C@@H](C)CC(C)(C)C)[C@@H]1CC1(C)C	709147323	BYKRJWNIOMJWGL-ZENOOKHLSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CCC[C@](C)(O)[C@]12CCCC[C@H]1C2	709171897	YUAOETJEBBFYKJ-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)N[C@H](C1CCCC1)C1CCC1	711829758	AGNCRFDMMRVPOK-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CC(C)NC[C@]1(CC(C)(C)C)CCCC[C@@H]1C	713310013	DRJRDOVFZUDCQV-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
O=C(CC1CCCC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714435650	QXYIXVAYLAHWGO-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cc2ccccc2o1	719176479	XTWQKYUHXAEIMU-UHFFFAOYSA-N	242.318	4.752	0	10	BJAE	
CC[C@H](C)[C@H](C)SCC1CCCCC1	1188675738	CKGOFGXFZTVECW-RYUDHWBXSA-N	214.418	4.735	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)c1ccc(F)cc1	1258074275	FPTSCUXYLKTTJP-KBPBESRZSA-N	249.373	4.611	0	10	BJAE	
CC(C)C(CN(C)C1CCCCCC1)C(C)C	1560722451	FOJSJHJSJXAXHA-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@H](C)SCC[C@H]1CCC[C@@H](C)C1	1613581175	CEMQFAWRNMTUKQ-HZSPNIEDSA-N	228.445	4.981	0	10	BJAE	
C/C=C/CCCc1cscc1C(F)F	1885359948	ACIPNVDVPWRDEA-NSCUHMNNSA-N	216.296	4.585	0	10	BJAE	
CCC(CC)CCOc1cc(C)ccc1Cl	1900696042	HVAXWFQIIHWEGY-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H](CC(C)C)C(C)C	1900860621	ZVDGKNBUKXSGOW-AWEZNQCLSA-N	224.388	4.620	0	10	BJAE	
Cc1c(Cl)cccc1O[C@H](C)[C@H](C)C(C)C	1901621384	ZWQMBNPOCQEQHQ-ZYHUDNBSSA-N	240.774	4.708	0	10	BJAE	
CCCC[C@@H](O)CCC[C@H]1CCC(C)(C)C1	1903418461	VGHDGCGGEVGAGQ-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
C=CC=CCC[C@@](O)(CC)CC1CCCCC1	1911839368	IIUYELGZOYQYPR-INIZCTEOSA-N	236.399	4.620	0	10	BJAE	
CC(C)(C)[C@@H](O)CCCCC=Cc1ccccc1	1912021005	ZFJVDMZKGBOKQU-INIZCTEOSA-N	246.394	4.667	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)C1CC2(CCCC2)C1	1912629926	YDHMAGLATALPRI-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1CC2(CCCC2)C1	1912645726	LVJILXKOVPWKHD-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
O=C1CCCCCCCC[C@H]1C[C@@H]1[C@H]2CCC[C@H]21	1913389660	MGIDYEIPXWNUPV-CAOSSQGBSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CNC(C)C)C=CCC1	1916352197	ZIUUQTVCJXJYHL-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(N[C@H]2CCC3(CCCC3)C2)c(F)c1	1916436078	HFDCTFDKUYOQGO-ZDUSSCGKSA-N	247.357	4.659	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H]1CCCCC1(F)F	1919489971	DHFBDNWDLCWLAK-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@@](C)(O)C1CCC(CC)CC1	1919978468	YZUNZLPTTBYVBE-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@@](C)(O)CC[C@H]1CC1(C)C	1921547396	XAXTWAIZBVUDFG-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@H](C)C1CCCCC1	1924101280	QTLZUPZVRGELBI-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC[C@H]1C=CCCCC1)CNC(C)(C)C	1925944398	DLKUEOFFOBECAN-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)C1CCCCC1	1940407859	JUXMEMUBSXWLOC-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](CC1(C)CCCCC1)NC	1940414051	HRHCMIXZMSXMST-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCC(=O)c1ccccc1C(C)C	1940616646	PSGOXZVPYUQKTD-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C1CC1)CC(C)(C)CC	1940707821	ZVXHAGMVPDABQA-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CCCC2(C)CC2)C1	1940871181	AIBMDBWOQMHKQS-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)CC[C@H]1CC1(C)C	1940876956	OCZJNAIUAVTIDJ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](N)(CCCCCC1CC1)C1CCC1	1941583758	IPGAMIRTRCKAKX-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CNC[C@]1(CCCC(C)(C)C)CCCC1(C)C	1944480688	MQNWEGXZQPEQLU-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	1945312034	VGMNBJVBSZCAEE-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C[C@H](O)[C@@H]1CCC(C)(C)C1)CC(C)(C)C	1945589252	WVHNDDUZDSBJCK-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@@H](N)c1cccc2sccc12	1945962393	SXBJRWBUODSBFN-CQSZACIVSA-N	247.407	4.872	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1NC1CCCCCCC1	1947521273	CIJRKJIYDPXYHV-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC[C@@H]1C(C)C	1947524265	MPCLLEMUWYFBLU-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@H](N)CCC1CCCCC1	1948931382	XCNMIACPSNBWCH-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CC[C@H]2CCCC[C@H]2C1	1949085121	YEQHXDJKZWKPQI-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CCCC[C@@H]1C(C)(C)C	1949087915	JXYUTYOMVGUQOW-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C[C@H]1CCCC[C@@H](N)CC1CCCC1	1949869203	JSMJDGUWRZNFSO-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](N[C@@H]1C=CCCCC1)c1cccs1	1950617854	CXVKSVLSPHSQJG-HIFRSBDPSA-N	249.423	4.534	0	10	BJAE	
CCCC[C@]1(CNC(C)C)CCC[C@@H](C)CC1	1950924547	LXEDCJOLCGCKIU-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC1(CCNc2ccc(C(C)(C)C)cc2)CC1	1968276213	XWUWXNNEGIASEP-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CC(C)[C@H](C)COc1cccc2ccccc12	1968276235	YLZNFNQHBXRZGS-CYBMUJFWSA-N	228.335	4.511	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCCCC23CCC3)c1	1968308129	SJCSKPMLYOBBQE-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
Cc1ccc(N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)c(F)c1	1968326421	HFVWYJVRKZMQTD-VPWBDBDCSA-N	249.373	4.617	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCC2(CCC2)C1	1970489957	WFJTZHSRJBSYGI-HNNXBMFYSA-N	237.431	4.658	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1CC[C@H]2CC[C@H]1C2	1971816279	SWMYIZSMZZDHQS-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC1(N)CCCCCCCCC1	1981001376	DYSBUOIPOFRKKR-UHFFFAOYSA-N	223.404	4.565	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)[C@H]1CCC1(C)C	1987994348	JSMWGHJNVHRTGX-WDEREUQCSA-N	237.774	4.577	0	10	BJAE	
CCC[C@@H](NCC(C)=C(C)C)c1cccs1	1989629106	XEXDVRJXLIIUKL-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
CCCC[C@H](CC)c1nc([C@H](C)OC)cs1	1990974065	VZJUQVGNIRUFTR-QWRGUYRKSA-N	241.400	4.534	0	10	BJAE	
CCCCN(C(CC)CC)C1CCCCC1	1991760038	XPGWNUCADFYHDY-UHFFFAOYSA-N	225.420	4.610	0	10	BJAE	
CC1(c2cc3cccc(F)c3[nH]2)CCCCC1	1995982093	ZRMLWZCTOLJZGX-UHFFFAOYSA-N	231.314	4.529	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](C)(O)C1CCC(C)CC1	1996551772	GQKJESUIVKUTHU-GYTBAZASSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@]2(C)CC=CCC2)C1	1997607406	UOGBYJKPBKOLPI-IJEWVQPXSA-N	234.383	4.518	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC=CCCC1)C(C)(C)C	1999999374	ROMHLPZJGMECAI-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](O)(C1CCCC1)[C@H]1CCCC(C)(C)C1	2000040366	DBAZLENYMWWJOT-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@@H]1CC12CCCCC2	2001224430	IIQZBXIKCDONSA-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CC(NC2CCCCCCCC2)C1	2003095138	LMKPPMWLQZRLTC-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H](NC1CCCCCCCC1)C(C)(F)F	2004513042	IGKINHQLBIVNGE-CYBMUJFWSA-N	247.373	4.513	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCCCC12CCC2	2005562595	CMFYSCTXARKWBT-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CCC(C)(F)CC1	2005891738	VHAAVOXWVPNPQM-WLYUNCDWSA-N	243.410	4.593	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@@H](CC(CC)CC)C1	2006622699	GAEPYDKFQLECFO-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1CC(CC)C1)NCC	2007749381	MPZURXANSIDEEM-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CNc2ccc(C(C)C)cc2)C1	2007799689	RMTUBFSMSPOXIP-UHFFFAOYSA-N	231.383	4.658	0	10	BJAE	
CCC1CC(C[C@@H]2CCCCCCC[C@H]2O)C1	2007811248	YGTDHWYSDKZTQD-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCC[C@H](NCCC)C1CCCC1	2009618352	AXRBMZIDCOGRCK-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(N)(C2CCC(C)CC2)C1	2009790980	FVRLPSKAGVGVRS-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C1=CCC(C)(C)CC1	2010724258	ZWDLJELRMSVCJV-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC(C(C)C)C(C)C	2015285626	YJBOOGVUHDBJLS-INIZCTEOSA-N	242.447	4.882	0	10	BJAE	
CCCC1(CN(C)CCC(C)(C)CC)CCC1	2015585133	YWXNQKNAGGNFGW-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCCC1(C[C@@H]2CCCC[C@@H]2NCC)CCC1	2015643558	DIUYSJFGNSDMPQ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC1(C)CCCCC1	2016118400	AHPMFMUJMABHKB-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC(C)(C)C1(C[C@@H](O)CC2CCCC2)CCC1	2017114606	NNKCWTBTTHTBRQ-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)C(C)(C)CC)CC1	2017775082	XEDIBSFUYVUHMZ-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@H]1CC[C@H](C)CC1	2017778087	YDMUHDLTVFTVPS-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H]1CCNC2(CCCCC2)C1	2018644827	GCGGOYXGXSNTKX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@@H](O)c2cccc3ccsc23)CC1	2018963849	BNAGENDYMOFUGC-CYBMUJFWSA-N	246.375	4.515	0	10	BJAE	
CCCC1(C[C@@](N)(CC)C2CCCCC2)CC1	2019002897	VUOFTVWCDBGLLK-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCCCCCN1[C@@H]1C=CCCCCC1	2019121458	IZBLEEMVSNUYJY-HZPDHXFCSA-N	235.415	4.530	0	10	BJAE	
CCCc1ccccc1O[C@H]1C=CCCCC1	2019540774	KWUFSRQIGXGVRE-HNNXBMFYSA-N	230.351	4.517	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@H]1CCC)C(C)(C)C	2022496308	QLEWLJWDMOFHQE-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@H]([C@@H](N)C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2024092461	RGRULBINGCWHMK-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](O)CC1CC(C)(C)CC(C)(C)C1	2024120517	WPDWZIQNNYJEDV-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CCCc1nccn1C1CCC(C(C)(C)C)CC1	2028114593	IILVVMVMXZMSFT-UHFFFAOYSA-N	248.414	4.613	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1ccc(C2CCC2)cc1	2028227228	BAOHYFMDLRWZGP-IRXDYDNUSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC2CCC=CCC2)C1	2028872391	FIGKICQMDCLCLS-HOCLYGCPSA-N	248.410	4.908	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]3C[C@H]3CC2)CCCCCC1	2028975235	JPXWQFMHRUBSRH-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)C1(C)CC(C)C1	2029105013	MNJSXVKOJKEEMV-VUROTCPHSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CCN[C@]23CCCC[C@@H]2CCC3)CC1	2031797355	DAEYLZUZHSUHBJ-SJORKVTESA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@@]12CCCC[C@@H]1CCC2	2031803735	GTMKZECNWSVOMX-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@@H]2C[C@H]3CCCC[C@H]3C2=O)CC1	2034259763	CGTKGDYMIPABAX-PEHJNBARSA-N	248.410	4.598	0	10	BJAE	
CCNCC1(C[C@@H]2C=CCC2)CCC(CC)CC1	2035589308	GPXYRCDOMZDQDF-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@H]2CC23CCCC3)CC1	2036133814	HQCVCCOZOTWQQS-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(=O)c1cccc(C2CC2)c1)C1CCC1	2036353433	BYXUYBNHZABWBP-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
CCCc1ccc([C@](C)(N)CCC=C(C)C)cc1	2037145945	CJNCLYMNPHDAEW-QGZVFWFLSA-N	245.410	4.559	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CC1CC(C)(C)C1	2037147463	XVXPRVGHSVREQT-GUYCJALGSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)C[C@@H]1CC=CCC1	2037167466	WHHMOLGKTPQDDH-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CC(C)(CN[C@H]1CCC2(CC2)C1)C1CCCCC1	2038578385	GJYCNWGGWVQHLA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)[C@H]2CC23CCCCC3)C1	2039079058	NQBSGJWVCWWZGQ-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@@H]2CC=CCC2)CC1	2039386719	UJJBOJRFGOVRGL-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]21)C1(C)CCCCC1	2039860662	XNWYACVPTDVFOF-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(CNC(C)C)CC=CC1	2042089771	SYNQLKFFYXFXOJ-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](c1ccccc1C)C1(C)CCCCCC1	2045721127	JHXCYVZRLPWESQ-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCN[C@H](C1=CCCCC1)C1(C)CCCCCC1	2045799140	IVRPNAQIOWGKDN-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C[C@H](C=C1CC[C@H]2CCCN[C@@H]2C1)CC(C)(C)C	2048086837	PEOPJYLKTDYVDJ-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CC(C)(CC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21)C1CC1	2048470413	PMERCZGSGMKRBQ-ZSHCYNCHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2CCC3(CC3)C2)CC1	2049848638	KNEYJSWULOTYBT-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(CCNC[C@@H]2CCC3(CC3)C2)CCCCC1	2049856033	NQGZFGSOHLHFBX-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@@H]1CCCC2(CC2)C1	2049865094	LHGYFOHXKAINKQ-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)c2ccc(F)cc2)C1	2050495941	ZMQFZHBPEXRAHS-CHWSQXEVSA-N	248.341	4.615	0	10	BJAE	
CC[C@@]1(C)CCc2[nH]c3cc(C)cc(C)c3c2C1	2051616794	LLJYSUVWNNWVMK-KRWDZBQOSA-N	241.378	4.690	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCCCC23CC3)CC1	2053312920	ZLVSIJKUKMXPIG-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCc1cccc(C(=O)C2(C)CCC(C)CC2)c1	2056535767	IVDNHDOMGBMFRB-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC1([C@H](N)C2CCCCCC2)CCC2(CC2)CC1	2056557565	VTIABLQYBIDAGO-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(C(=O)CC2CC(C(C)C)C2)c1C	2056666714	VCIMEBOIVDZWQW-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
CCN[C@H](C=C1CCCC1)C1C[C@H](C)C[C@@H](C)C1	2056873628	PEESZBRNARXJQV-CKEIUWERSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)CCCC1CC1	2056884264	SVWGSRDVLDTPFW-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCC1(C)CC(NC[C@@H]2CCCCC23CCC3)C1	2058832876	GIGSJWVSCQBCCF-FHERZECASA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1ccc(CC(C)C)cc1	2059199281	XJCVKGCZPVJQNL-LAQIPUCWSA-N	245.410	4.631	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1cccc(C)c1C	2059224963	HUJUWACQESZSFK-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)[C@H]2CCCC2(C)C)CC1	2061085398	QSKFLYQSJCJIQN-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC1CC(=C2CC2)C1	2061699276	KVXJQKVPZHWKMT-OAHLLOKOSA-N	246.394	4.662	0	10	BJAE	
CCCC1([C@@H](N)CC2CC3(C2)CC(C)(C)C3)CC1	2063207749	JZLPBHJZJOFFJC-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]1C[C@H](C2CCCCC2)CC2(CCC2)C1	2063637958	OQTRFOXKOKZCLJ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CNC1CC(C(C)(C)C)C1)C1=CCCC1	2067984570	KONQNODABKRGIT-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
O=C(CC[C@H]1C[C@@H]2CC[C@@H]2C1)CC1CCCCC1	2068700756	AWVZYCUFKJPNLH-PHZGNYQRSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1C[C@@H]2CC[C@@H]2C1	2068801037	MJCNZJSKMOJSLB-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@]12CCC[C@@H]1C2)C1(C)CCCCCC1	2070961489	CQZYZBSZZZDSNK-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1ccc(C)c(C)c1	2072418689	UXMKQBOXRCVKLQ-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCNC3(CCC3)C2)CC1	2072810986	AGQDEXLBRQNXPI-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](NCC)C2(C3CCC3)CC2)CC1	2074647775	BDUJZQGIEBMTRT-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CCC(CN)([C@@H]2C=CCCCC2)CC1	2075372809	JUVKFDDYXHOETA-AQFXKWCLSA-N	249.442	4.524	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1cc(F)ccc1C	2077188786	AMXCCYQMJPVWFF-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](NCC)C1=CCC(C)(C)CC1	2079442762	KKNCMRQGPGXOEB-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@H]1C[C@@H]1C1CCCCCC1	2079514855	KQBXUHNJCDCSIU-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1C[C@@H]1c1ccccc1	2079554420	PYHZDWDEMMOSQZ-YESZJQIVSA-N	246.394	4.512	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC1(N)C[C@H]2CCCCC[C@@H]2C1	2079862800	IBDCIPRGNNXSDX-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)ccc1NCC1CCCCCC1	2081946781	LMMWPVFAGDMWDF-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)C[C@@H](C)C(C)(C)C)c1	2082945155	SLXDEIFLLJYTKX-CZUORRHYSA-N	248.410	4.718	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@]2(C)CC=CCC2)C1	2082980582	WNHSYTDYCQJQAD-WMLDXEAASA-N	248.410	4.908	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@H]3CCC[C@H]2C3)CCC1	2086159103	VIDNOJXLARPUBC-YQQAZPJKSA-N	249.442	4.658	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCCC(C)C)CC1	2211856825	ODVSUOZFPAAXCO-HNNXBMFYSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](CC)NC1CCC(C2CC2)CC1	2213705247	DUEPMZPAEQKVGN-HWOWSKLDSA-N	237.431	4.514	0	10	BJAE	
CC[C@](O)(CC1(C)CC2(CCC2)C1)C(C)(C)C	2215470133	WPPZHBIIJNBTHJ-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CCC(C)=C(C)C)CC1	2215816629	YIKKMOZMGWFCTO-CVEARBPZSA-N	235.415	4.587	0	10	BJAE	
CC(C)CCC[C@@]1(N)CCC[C@@H](C(C)(C)C)C1	2216251268	DPJUYPXURGGMNZ-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
O=C(CCCCCCCC1CC1)C1CC=CC1	2216862564	LILNOGYPQQXTOA-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC(C)C)[C@H](C)CC(C)C	2217123928	CJHUMTXBHQXVRF-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](C)CC1(CN[C@H](C)CC)CCCC1	2217151294	TWTKOPWFCWRHLH-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
N[C@@H](C1CCCCCC1)C1C[C@H]2CCC[C@H](C1)C2	2218346051	LAWLGOJAMMGJKW-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CCC[C@@]1(C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCN1	2218353395	IDAWTLLEGYXBNV-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)N1	2218362620	ZPBIIOQSTZUPFV-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)[C@](N)(CCCCCCC2CC2)CCC1	2218723134	DVPXWLXWQROLAP-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCCN[C@@H](C/C=C/c1ccccc1)CC(C)C	2219080257	GQODDQPTMKVLNP-YRYLYKBFSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)CC=Cc1ccccc1	2219089896	GMQNQDACWGNNRX-WBVHZDCISA-N	245.410	4.504	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(CNC(C)C)CC=CCC1	2220850938	JKEGVMCADSDFIX-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(C[C@@](C)(N)C2CC3(CCC3)C2)C1	2221026163	SLBGXQLKKCZCSR-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CC1CCCCCC1	2221992639	GBVIRNGHGBLHPY-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C[C@H]2C=CCCC2)C1	2222253390	ZICCBHGTNVAACF-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)[C@]1(CNC2CCC2)CC=CC[C@H]1C	2223597449	RBTZXUKJOPLEQA-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H](C)c1ccc(C)cc1	2223967051	BLDLFBDTKJIRDS-RDJZCZTQSA-N	245.410	4.562	0	10	BJAE	
O=C(CC1CCCCC1)c1ccc2occc2c1	2224145272	VONWEZVQBHLDNC-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CCCCCC1CC1	2244787589	GEKQIKWPVLCVHB-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CNc1cccc(F)c1Cl	2244798167	WUUSXTRGFWHGKH-JTQLQIEISA-N	243.753	4.717	0	10	BJAE	
CCC(=O)[C@@H](C)CC[C@H](C)CCCC(C)C	2244850666	GQGFHVAWQVMZDQ-KGLIPLIRSA-N	226.404	4.844	0	10	BJAE	
CC1CC(C)(C[C@H](O)C2CCCCCCC2)C1	2246502694	KFEUDXZZMISJDE-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CCC(O)(CC2(C)CC(C)C2)CC1	2246529077	GNWAFFBOCZZQAJ-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](C)(N)CCC2CC2)C1	2246727475	NHQGRLVSXORQOR-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC1CC2(CCCC2)C1	2246822535	WBICEDPROLEJIJ-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC)CC(N)(CCCC[C@H]2C[C@H]2C)C1	2247173617	SZSPDEYYRSBLEC-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@H]1CCC1(C)C)NC	2247303419	MAZOGTMGJPAIRD-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC[C@]1(C)O	2250466347	DBTKZTHHURLXFI-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@]1(C)CCNC1	2250475550	QVPQJRFUSVLKTM-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCC[C@H](O)C1CC1	2250484759	HEJBGPIVHPXCCH-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
Cc1ccsc1C(=O)C[C@@]12CCCC[C@H]1CC2	2251151636	YTSIZGWALMZCQC-WFASDCNBSA-N	248.391	4.600	0	10	BJAE	
CCCC[C@](C)(N)CC1CC(CC(C)(C)C)C1	2251501347	JLRHWQIKYLZYNN-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CCCCC23CC3)CCCC1	2253807548	CVVUJRFIVVUEMM-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C1CCC(CC[C@@H]2CN[C@@H]3CCCC[C@@H]3C2)CC1	2253813200	GXCCGDNTWLFVAC-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@@H]2CCCCC23CC3)CC1	2253822721	SUPGWISUJRHTPQ-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC(=CC[C@H]1CCC[C@@H](C)C1)c1ccc(N)cc1	2253994063	BZRRHGYLUOZHRJ-UKRRQHHQSA-N	243.394	4.889	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@H](C)C1)c1ccc(N)cc1	2253994064	BZRRHGYLUOZHRJ-ZFWWWQNUSA-N	243.394	4.889	0	10	BJAE	
N[C@H](CC1CC2(CCCC2)C1)C1CCCCCC1	2254113748	KMEIAFKPLQPKFS-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN1CCCC12CCCCC2	2254588877	AYHUYNVYPDTSGZ-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
Cc1cccc(C(=O)CCCC[C@@H]2C[C@H]2C)c1F	2254594313	RLPCTKNJWBVZEN-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
CC(C)NC[C@]1(CC2=CCCCC2)CC=CCC1	2255130952	GGTKQLHEFQTVQL-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)C[C@@H]1CCCC12CC2	2255324939	BWFYXZOZRFFTLH-VNHYZAJKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1(N)CC2(C1)CC2(C)C	2257245684	BMIYCMSFCIENFJ-VBJONLRCSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1OCCCCC[C@@H]1C[C@H]1C	2257245889	CNPOUFIGFSOZSU-HZPDHXFCSA-N	246.394	4.899	0	10	BJAE	
Cc1ccc2ccn(C[C@@]34CCC[C@@H]3CC4)c2c1	2260576783	AXHGOFGISIMYIG-WBVHZDCISA-N	239.362	4.530	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@@]12CCC[C@@H]1CC2	2260600634	HAVKNQQCXVFUAV-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
C[C@H](Nc1cccc(C2CCCC2)c1)C1(C)CC1	2260734746	BYEUWTMGSNNBDJ-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
Cc1ccc(C=Cc2c[nH]c3ccccc23)c(C)c1	2297578652	WQBVFAGBCHOBGQ-UHFFFAOYSA-N	247.341	4.955	0	10	BJAE	
CCC(CC)CC[C@](C)(O)C12CCC(CC1)C2	2300673285	GFYJALXNPJSFCF-PCKAHOCUSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@@H](CCC(CC)CC)NCC)CC1	2300675443	FGTLOVTUKODGKG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CCC[C@@H]1C(C)C	2300684127	QQHJJTLUDBWWDI-PMPSAXMXSA-N	239.447	4.602	0	10	BJAE	
CCc1cscc1N[C@H](C)[C@]12CCCC[C@@H]1C2	2302888745	BVNYTCAFRCRJNF-UXIGCNINSA-N	249.423	4.691	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(CCC)CNC1CC1	2307749477	KVANTNJNOFMWFP-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CN)CCC[C@H](C)CC1	2307845368	TWDAPJJWZATHJO-HRCADAONSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)C1(CCC)CC1	2307902421	LDGNUXNMNSHXNS-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2308401403	VVVHVZKHZHXVMV-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C(=O)CC[C@@]12CCC[C@@H]1C2)C1CCCCC1	2310380363	UZAFGYSLRIEOFQ-FRFSOERESA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(C[C@@]23CCCC[C@@H]2C3)C1	2311150182	ZTBUFDDOUDYQLE-HDEZJCGLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)C[C@@H]1CCCCC12CC2	2312663784	RLMIOOAPHZRJBA-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@]1(C[C@@H]2C[C@@H]3CC[C@H]2C3)CCCCCN1	2312888053	VFXBTEPSARISHO-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCCN1C[C@]12CCCC[C@@H]1CC2	2313614538	QQDWISSANSYTSG-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CCC(C)=CC[C@H](C[C@@H]1CCCCC12CC2)NC	2316535165	FVSXZBIPUDGWEX-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@H](O)c1cc2cc(C)ccc2o1	2316540418	AJYXTMFBZVZVOU-AWEZNQCLSA-N	244.334	4.521	0	10	BJAE	
CC1(CCC[C@H](N)[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316694550	STYGCVQUFGNDSG-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316753163	VMGUKXMOYKOCIU-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(CC1CCCCCC1)C12CCC(CC1)C2	2316883227	AUZAOGQCOFEYFT-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
O=C(CCCC1CC1)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317119947	ATPZRJCVKIBXLT-OAGGEKHMSA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C[C@H]1C=CCC1	2317903964	JVMFCZABVQJLHC-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
Cc1cc(C)c([C@H](N)[C@@H](C)[C@H](C)C(C)C)c(C)c1	2317905311	AHZTXKGZYUSTQQ-HLLBOEOZSA-N	247.426	4.540	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H](C)[C@H](C)C(C)C)cc1	2317990353	OXJAZBFRACCJRW-ZIAGYGMSSA-N	246.394	4.921	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)CC1CC2(CCCC2)C1	2318939013	PCUBXJXMXLPQOC-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C[C@@H]1CCC(C)(C)C1	2319025050	UIWVUTGGICPVLC-GJZGRUSLSA-N	245.410	4.520	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCC[C@H]2C[C@@H]21	2319253184	SNCNTKQRZNIWCN-HRCADAONSA-N	243.394	4.548	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC[C@H]1CC[C@@H]1C1CC1	2319632279	JDPUHIHMUZGLHD-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC(=C[C@@H]1CC[C@H]1C(C)(C)C)C[C@@H]1CCCCN1	2320251620	BNEAMQCRKBPOQS-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(N[C@H](CC2CC2)C2CC2)CCC1	2320526902	FYWLGAHWZRZIES-QGZVFWFLSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)c1cccc(C(C)C)c1	2320527540	MLGXAZXFMHQPOV-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CC(C)CC12CC([C@@H](N)CC3(C)CCCC3)(C1)C2	2321594781	HUWVKGJSIAUOGX-OOHWJJMZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC[C@@H]1CCC(C)(C)C1)c1ccc(N)cc1	2321608610	QMDHEUOQTKDZRG-ZIAGYGMSSA-N	245.410	4.979	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC(C)(C)[C@@H]2C)c1F	2327805317	CAYITEFWYAWXNR-RISCZKNCSA-N	249.373	4.796	0	10	BJAE	
CCCC1CCC(Nc2ccccc2C)CC1	20566379	BTVLRUQLDCBIPM-UHFFFAOYSA-N	231.383	4.766	0	10	BJAE	
CC[C@H](C)[C@H](NC)c1c(C)c(C)c(C)c(C)c1C	35467678	FBYLKZOUANHXHI-BTDLBPIBSA-N	247.426	4.535	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCC[C@H](C)C2)cc1C	37253935	KACNOWDZYKIZFR-YLQAJVPDSA-N	245.410	4.533	0	10	BJAE	
CC(C)CCOc1ccc(NCC(C)(C)C)cc1	66166125	SDORNFOSMHYIHV-UHFFFAOYSA-N	249.398	4.570	0	10	BJAE	
CCCCCC[C@@H](NC)c1cccc(Cl)c1	71085184	MWSRFDMHEPKGMW-CQSZACIVSA-N	239.790	4.571	0	10	BJAE	
CCCC[C@H](CC)CCC[C@H](NCC)C1CC1	80419933	MCGOAAXJKMBKAJ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc2c(c1)C(C)(C)[C@H](C)CC2(C)C	84403397	JIVANURAWUCQIG-GFCCVEGCSA-N	216.368	4.590	0	10	BJAE	
C[C@H]1C[C@H](NC(C)(C)CC(C)(C)C)CC[C@H]1C	84985630	VWKAJZGDFIBQMF-HZSPNIEDSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC[C@@H](C)CC2)c1	86879259	PMEHGVQESPUGPI-IUODEOHRSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(F)cc2C)CC1	86893979	LANLZLMDNYMWCD-HIFRSBDPSA-N	249.373	4.905	0	10	BJAE	
CCCN[C@H](C(C)C)[C@@H](CCC)c1ccccc1	92600073	GCHWIGSFUFUMGF-DLBZAZTESA-N	247.426	4.595	0	10	BJAE	
CC(C)c1cccc(NCCc2cccs2)c1	111451628	DSRQMRFQVSQYGZ-UHFFFAOYSA-N	245.391	4.526	0	10	BJAE	
CC1(C)CC(C)(C)CC(O)(C2CCCCC2)C1	124954616	CWXHTRNBFFABFO-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)CC1CCCCCC1	126124744	VZQAWVGOCDXBIK-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H](C)CC)NCC	126218098	KQQNZFYMLTWQCV-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)CSCC(C)(C)C	147277454	GMQLYHZVFMXCHI-GFCCVEGCSA-N	216.434	4.982	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@@H](C)c1cccc(C)c1	160203231	HSNJSOITKHCJKG-UKPHBRMFSA-N	247.426	4.860	0	10	BJAE	
Cc1cccc(CC(=O)C[C@H](C)CC(C)(C)C)c1	164091148	OQBAEIDCLLJDJJ-AWEZNQCLSA-N	246.394	4.569	0	10	BJAE	
CCCCCC[C@@](C)(CNCC(C)C)C1CC1	164245480	VCRBPVLEWKDDHA-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)CC(=O)c1cc(C)c(Cl)cc1C	164266788	GPQZEWWBZBICLV-VIFPVBQESA-N	238.758	4.576	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CCCC[C@@H]1CC	165745443	AIKDKGCNKBGOLF-GOEBONIOSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2cccc(C)c2F)C1	166328676	IIKNPFOMCOFFNT-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@@H](NCCC)[C@H]1CCCCC1(C)C	226818802	UVKBSRWQZASTNA-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@]1(O)CCCC(C)(C)C1	226908404	PMXAAIDNLTXGOI-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@]1(C2=CCCCCCC2)CCCCCN1	233318684	AXGVRJZJLCEAFE-KRWDZBQOSA-N	249.442	4.970	0	10	BJAE	
CCc1ccccc1[C@H](O)C1=CCCCCCC1	234122775	WMUFPQNIGLGXFA-QGZVFWFLSA-N	244.378	4.563	0	10	BJAE	
CSc1cccc(N[C@@H]2CC(C)(C)C[C@H]2C)c1	235098231	METWGQCPQOAHFR-BXUZGUMPSA-N	249.423	4.645	0	10	BJAE	
Cc1ccc([C@H](C)C[C@H]2O[C@@H]2C)cc1C(C)(C)C	251161655	LGUGNTRIDKOVJG-XJKCOSOUSA-N	246.394	4.573	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CC2=CCCCC2)C[C@H]1C	253173146	LFQCLLMLTQLEAG-NFAWXSAZSA-N	234.383	4.518	0	10	BJAE	
C[C@H]1C[C@@H](N[C@H]2CCC23CCCCC3)CC[C@H]1C	299956194	QIIGERFIGWQXDZ-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCC23CCCCC3)C1	299958334	UVAFBHVMBZBTQW-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)C1=CCCCCCC1	300128124	BGYAWGCKZMNEPE-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@](CC)(CO)CCC1CCCC1	300778658	RDUHUEWORBNINQ-HNNXBMFYSA-N	226.404	4.536	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)c1ccoc1C	302259314	NRQAMDOYARJABJ-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1C[C@@H](C(C)C)CCC1=O	304178028	OHZWRZTXWPTJJT-KKUMJFAQSA-N	238.415	4.700	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CCC(C)(C)C)c1C	305911330	DSHAJZRHFAMMPM-UHFFFAOYSA-N	246.394	4.929	0	10	BJAE	
CC(C)Cc1ccc([C@H](O)[C@@H](C)CC(C)C)cc1	306103282	QRCNDHKNUJWUNO-WMLDXEAASA-N	248.410	4.601	0	10	BJAE	
Fc1sc2ccc(C(F)F)cc2c1Cl	306670838	FABFMNLDJHPCNA-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCc1sc2ccc(SC)cc2c1Cl	307221111	XSIPSMJNVJQGIG-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCc1ccc([C@@H](O)[C@@H](CC)CC(C)C)cc1	308034199	RHKYBZOYNPIEMA-RDJZCZTQSA-N	248.410	4.745	0	10	BJAE	
CCCCC[C@H](O)CC1CCC(C)(C)CC1	309444493	MNWKWGMZYWIDIN-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](NCC)C(C)(C)C(C)(C)C	309652857	UKPXTCSFJHCRRB-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@H]2CCC[C@H](C)C2)c1	310958098	GGIFWIYUUPNQLU-WFASDCNBSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CC2CCC(C)CC2)c1	310975200	IWZNDPRBLUSABE-QOJXUVEWSA-N	245.410	4.520	0	10	BJAE	
CCN[C@H](CC[C@@H](C)[C@H](C)CC)c1ccccc1	319870419	HTMFTMDGWLUGHM-BFYDXBDKSA-N	247.426	4.800	0	10	BJAE	
C/C=C\CC1(CNCC(C)C)CCCCCC1	319916901	JAQXTTMQUQNHMI-PLNGDYQASA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1ccc(Cl)c(C)c1	320197355	QBDUYRBFUBQFGZ-ONGXEEELSA-N	238.758	4.513	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)CCC2CCCC2)CC1	328347317	OIWDCLGESLEHQY-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCC1=CCCCC1	379581938	MNJYFOXIJLHVDS-PVAVHDDUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](n2ccc3cc(F)ccc32)C1	379624571	DIWWSICQAZLRTH-RISCZKNCSA-N	231.314	4.532	0	10	BJAE	
CC[C@]1(C[C@@H]2CCC[C@@H](C)C2)CCCCCN1	380028881	FVXBUVJQQFBNJZ-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H](C2CC2)C1)C1CCCC1	382816209	CKDZKHWLDVBLJV-IKGGRYGDSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1ccccc1CCC	384663989	PCVDFESRCNKLJJ-YOEHRIQHSA-N	247.426	4.855	0	10	BJAE	
CCN[C@H](CCC(C)C)C[C@H](C)c1ccccc1	384919346	PFPUQGOLDKJQIX-DOTOQJQBSA-N	247.426	4.595	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H]1CCCC(F)(F)C1	390574341	CBKFIXJXVHBCAM-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCc1sc2c(C(F)F)cccc2c1C	396200716	OTJMSEIGNVZALP-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CSc1c(F)cc(C(F)F)c2sccc12	396236059	ICWHLOYUVANVQE-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1cccc2ccn(C[C@@H](C)C3CCC3)c12	398787982	QXCYEJBYJPUSLC-CYBMUJFWSA-N	241.378	4.640	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCCC1CC1)NCC	405753018	SIXZHZYZMQWTMO-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CNc1ccc(C2CCC2)cc1)C1CCC1	690092940	JFHOLVIAVFQOQL-CYBMUJFWSA-N	243.394	4.802	0	10	BJAE	
C/C(=C\CCNC(C)C)C[C@H]1CC2CCC1CC2	691694623	ASOCTJWXMOPOKJ-DYAXVRLASA-N	249.442	4.537	0	10	BJAE	
CCCC[C@](CC)(CNC(C)(C)C)CC(F)F	694057891	FTPIBAJINWTQDE-AWEZNQCLSA-N	249.389	4.616	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1nccc2ccsc12	695155341	IOBMLYCPQDLEIF-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
C[C@@H](CC1CCCC1)NC[C@H]1CCCC2(CC2)C1	695728158	DLEHETJUJBYYIY-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1O[C@H]1CCC[C@H](C)C1	699483673	SXTKLUVFAKRGPF-ZFWWWQNUSA-N	232.367	4.597	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H]2C[C@@H]3C[C@@H]3C2)cc1	700097339	ZOJARDKFTIDFAU-UGQVUOCMSA-N	243.394	4.658	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC1CCCCCC1	701089527	BTBVUCKCRJLTPI-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC[C@H](O)CC1CCC(C)(C)CC1	703964209	RKMVLEOQYMFHBU-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(Cl)c([C@H](O)CCCC(C)C)c1	703986377	DVYFSGNIABLMMA-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
CCc1ccc(CC)c([C@@H](O)[C@H](C)CC(C)C)c1	704742260	ROTMXDCSHCKBFP-DYVFJYSZSA-N	248.410	4.527	0	10	BJAE	
CCCC(CCC)N[C@H](C)[C@@]12CCCC[C@H]1C2	708874532	JFDILHSQKAQAPU-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
C[C@H](N[C@H](C)[C@]12CCCC[C@@H]1C2)C1CCCCC1	709157646	WFQZIUINYHDGBN-XOSAIJSUSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C12CCC(CC1)CC2	710262474	ITLWEJAGSVDSJJ-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(N[C@@H]2CCCc3ccccc32)cs1	710705756	NSLZXZNSDSVOQJ-OAHLLOKOSA-N	243.375	4.546	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2C[C@H]3CCCC[C@H]32)c1	712383993	HGOZOFXMNUTAET-YRGRVCCFSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)CC1(CNCC(C)C)CCCC1	713252786	WIOWWZBBMMAYOR-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC1(CC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CCC1	714428159	BQELPOQNIMCVTJ-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNC1(C2CCC2)CCC1	717810569	ITFYXNWOUYZHLD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CCC(C)=C(C)C	718505370	HCQWZVYDCMJQTC-HUUCEWRRSA-N	225.420	4.523	0	10	BJAE	
CC(C)=C(C)CCNc1ccc(Cl)c(F)c1	718641776	GCXPWLTZKLIJLZ-UHFFFAOYSA-N	241.737	4.637	0	10	BJAE	
N[C@]1(CCC2CCCCC2)CCC=CCCC1	718974464	CLPUZOQXDDTBJI-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCC1=CCCCC1	720979796	RWJOAXOGQVXQNA-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC(C)(C)c1ccccc1	721727575	VSOPEXVBSRZMME-HNNXBMFYSA-N	247.426	4.508	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C(C)(CC)CC	721749278	RFZUMQKYZLEYOU-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CC[C@@H]3CCC[C@@H]32)cc1	722074575	IYAGQOAPGAPQIE-BHYGNILZSA-N	243.394	4.801	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@H](C)[C@H](C)C1	1560842328	VBYXKGIKDUWOKC-XUWVNRHRSA-N	237.431	4.536	0	10	BJAE	
CC(C)(C)CSC[C@@H]1CCCc2ccccc21	1613781967	AHIZXFIXWHEEFB-AWEZNQCLSA-N	248.435	4.886	0	10	BJAE	
CCC(C)=CCCCCOCc1ccccc1	1888078155	LVZIUYNWDRVYCP-UHFFFAOYSA-N	232.367	4.730	0	10	BJAE	
CCC(CC)CCOc1ccc(Cl)c(F)c1	1900695249	CDSOSAGACRGSRC-UHFFFAOYSA-N	244.737	4.684	0	10	BJAE	
CCC(CC)CC[C@](O)(CC)c1cccs1	1900704029	URQDOHPUEWCABG-CQSZACIVSA-N	240.412	4.562	0	10	BJAE	
CC(C)CC[C@@](C)(N)CC1CCCCCC1	1901060784	LIXOPNRZHZJNSZ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
NC1(CCCCCC2CC2)CC2(CCCCC2)C1	1912707661	HJBJBRFGHLQINK-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CC(C)[C@](O)(CCC1CCCC1)c1ccccc1	1919934062	JODAPNNDJRCRSB-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC[C@@H]1CC1(C)C)NCC	1921567521	KUWHAGGZPWKNBO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](O)c1cc(C)ccc1Cl	1925506939	NOBCTPHDCHSDFA-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
CCC1([C@@H](C[C@H]2C=CCCCC2)NC)CCCC1	1925909223	BSVSRTBVIVUJPO-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@@H]1C=CCCCC1	1925910559	OGGQEBYCKFNPSS-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
O[C@@]1(C[C@H]2C=CCCCC2)CCC12CCCCC2	1925938664	MHPVORLEOIEADF-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC[C@H]1C=CCCCC1)CNC(C)(C)C	1925944399	DLKUEOFFOBECAN-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)c1cscc1C	1938842688	LWFVWIZCNMSABC-GXTWGEPZSA-N	240.412	4.552	0	10	BJAE	
CCCC1([C@@H](O)CCC[C@@H]2CC2(C)C)CCC1	1940876017	KTRYINDZVJAMGY-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)CCCC1CCC1	1941470850	WLVXYKCSKYOVKI-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CNC(C)C)C1CC1	1942089711	RJTYPDGKDPVGHE-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)n1ccc2c(F)cccc21	1942658991	ICSYGDDBEUMYBL-LBPRGKRZSA-N	233.330	4.778	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)C(C)(C)C1CCCCC1	1944611812	YMRBDGMNUORJFV-GUTXKFCHSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](N)C1CCCCCCC1	1944844875	CSDBKENKPJQHMU-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@H]1C)C[C@H](C)CC	1944847428	ALDJUMRCBORHSZ-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@](C)(O)CC1CCCCC1	1944854227	XBWKOEBRZLXNGG-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(O)c(C)c(-c2sccc2C2CC2)c1	1945814000	HHJSMXZFYHPIMR-UHFFFAOYSA-N	244.359	4.615	0	10	BJAE	
CC(C)CCC[C@@]1(O)C[C@@H]2CCCCC[C@@H]2C1	1947842709	MAKUXQFTLUAGFL-ZSHCYNCHSA-N	238.415	4.534	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)CC1CCCC1	1949865123	VTHJUNQVTBKBHI-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)CC[C@@H](O)CC1CCCCC1	1949926075	IDURGJHXISMHLY-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(CN[C@@H]2CCC3(CCC3)C2)CC1	1968938086	YBRWFOALLHOAGU-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC(=O)C[C@@H]1CCC=CCCC1	1978278710	APRGDDFLSWMHAK-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
O[C@@H](CCCC1CCCCC1)c1cccs1	1980699601	PPSDFKROKZYDAN-ZDUSSCGKSA-N	238.396	4.532	0	10	BJAE	
CCCCCC1CC(N)(CC(C)(C)CC)C1	1984744788	PETBTTJOYAGGMT-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](Nc1cscc1C)c1occc1C	1986209311	RCVDDGUDCMKOPZ-LLVKDONJSA-N	235.352	4.521	0	10	BJAE	
CCCC1(CC(=O)C(C)(C)C(C)C)CCC1	1988426158	VOSRJECHTBBNKR-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CC[C@H](C)CC1	1989770910	TWJRZLBCGKMFQU-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CC=CCCC[C@H](N)CC[C@@H](C)CCCC	1995264672	WHNOBQFBDVVHIC-GJZGRUSLSA-N	225.420	4.667	0	10	BJAE	
CCC/C=C/CN[C@@H]1CCC[C@H](C(C)C)CC1	1995875620	UZYDZYIXTLQWPH-BUWFCSEKSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2CC[C@@H](C)C2)CC1	1996236047	DOUIXYFVMARRDX-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCCSc1ccccc1N[C@H](C)CC1CC1	1996574009	OCFDGPJIDVMAIB-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CCC(CC)CNC[C@H]1CCC[C@@H](CC)CC1	1997101020	VLKGCPLSWFHHSU-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCc1ccccc1C(=O)C(CC)(CC)CC	2000210740	DEZMPKSPSHCFIY-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CCC1CCCC1	2000294557	VRVONPMSXQHKNW-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](C1=CCCCC1)c1cc(C)sc1C	2000387966	PENVWMLJALSHPD-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C1(C(C)C)CCC1	2000391104	UIJQUDIESLGIHY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNCCC)CC1CCC1	2000500714	XKNSQCHIFJYZBC-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC(C)(C)CN(C)[C@H]1C[C@@H](C)CC(C)(C)C1	2000896773	ORTNLANGOIGSQU-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@H]1CCC12CCC2	2001852722	XGYRFRAPIZWWHN-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@](C)(O)[C@@H]1CCCC(C)(C)C1	2003015490	DXYIRFGXIATEKV-AYDFFVQHSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](CCNC1CCCCCCCC1)C1CC1	2003100609	RPNHTGMYSSDKBK-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H]1CCC2(CC2)C1	2003222881	ZTPWBTXYAXLVFL-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(Nc2cccc(C)c2)CC1	2004342038	OYELQBLHTMFQLD-UHFFFAOYSA-N	231.383	4.766	0	10	BJAE	
CCC1(C)CCC(O)(C[C@H]2CC[C@H](C)C2)CC1	2004353961	UHZFDASTIJJENV-FXQLRMTLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C1(C)CCCCCCC1	2004920399	JRRGFDWMQLUWCR-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CCCCC12CC2	2005537109	RLRAYTHSHFMMOV-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](NC)[C@H]1CCCCC12CCC2	2005601045	PVMFBEQADCGTPD-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CC(=O)C[C@H](CC)C2)C1	2006673659	MWYCKBYYJXGZSU-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC1CC(CC)C1	2007739753	ZANRAJVPMDQXLJ-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCn1ccc2cccc(CC)c21	2009572399	MSJLGIYLFUJSHC-UHFFFAOYSA-N	227.351	4.560	0	10	BJAE	
CCC(C)(CC)[C@H](N)C1=CC[C@@H](C(C)C)CC1	2010713331	DDRYWLXAJKQXPP-UKRRQHHQSA-N	237.431	4.523	0	10	BJAE	
Cc1ccc(CC2CC(=C3CCC3)C2)c(F)c1	2011086640	FSUBRASEQMIGII-UHFFFAOYSA-N	230.326	4.567	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@@H]1CCCCCC12CC2	2011275868	WKZAELRWECBQIR-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCCCC1(C)C	2013263022	FBUYDGPMDJJSPN-HUUCEWRRSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C)C1CC(C)(C)C1	2013269982	DLQLIUUHZGVTJR-ZFWWWQNUSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(O)C2(C)CCCC2)C1	2014329012	MQSRDZGWLMWASC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@]2(O)CC(C)(C)CC[C@@H]2C)CCC1	2015591294	FJKUGPWYZUPEIH-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CC(=O)c2ccc(C)cc2)CCC1	2015597545	GXFLFKQSDQHHRC-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CC1(CC)CCC1	2015630967	KVLBICHYMGAOKU-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCCC1(C[C@](C)(N)C2CC(C)(C)C2)CCC1	2015642705	TVMURSCXEYOCEO-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(O)CCC[C@H]2C)CC1	2017650358	GFHBOFQAGFTLNU-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@H](C)CC[C@H]1CC[C@H](CC)CC1	2017731734	VDZFSSNWUQVHEZ-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@H]1CC12CCCCC2	2017794625	UFYIUCXKCHAKHM-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cc(F)ccc1F	2018127782	NVACYJMPUIHZCO-GFCCVEGCSA-N	241.325	4.736	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(CCC(C)C)CCC(C)C	2019389160	NPUQJWKAINHARK-JKSUJKDBSA-N	241.463	4.815	0	10	BJAE	
CCCCCN(C[C@H]1C[C@@H]1C(C)(C)C)C(C)C	2022620507	NOAPDUSGMGBTGF-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC(C)C[C@@H](CN)CC[C@H]1CCCC(C)(C)C1	2024096045	UFHHYOKFNCJIIW-CABCVRRESA-N	239.447	4.604	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@@H]1CC(C)(C)CC	2024512167	BOADXNAVPYSVQD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H]1CCCNC12CCCCC2	2024622700	VCOXXKPBWCFHAT-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C1CC2(CCC2)C1	2026166084	HEKKIYOMIBMOKT-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C1CC2(CCC2)C1	2026170047	MXDCZJDOOQZPCT-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
c1sc([C@H]2CCCC23CCC3)nc1CC1CC1	2026538773	UWEFOJFHIQGQRS-CYBMUJFWSA-N	247.407	4.533	0	10	BJAE	
CNC[C@]1(CCC2CCCCC2)CC=CC[C@@H]1C	2027919190	DJBCENWEEZDJKT-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC(C)=CCC[C@H](O)c1ccccc1CC(C)C	2028930971	QRQNOBAUHOZPOD-KRWDZBQOSA-N	246.394	4.665	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2030232098	XWHCGLFYHMHRMC-LTIDMASMSA-N	249.442	4.559	0	10	BJAE	
CC(=C[C@@H]1C[C@@H](C)C[C@@H](C)C1)C[C@@H]1CCCCN1	2031822333	ZYCUSCGYVUOFND-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1CCC1)[C@@]12CCCC[C@@H]1CCC2	2031854955	JIGYSTDOVMZGEU-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CCc1occ(C)c1[C@@H](N)CCC1CCCCC1	2035524457	FJLHMEHDWPOOMP-AWEZNQCLSA-N	249.398	4.511	0	10	BJAE	
CC(C)c1cccc(C2(O)CCCCCCC2)c1	2035550152	ULAZQFFJPKZIQN-UHFFFAOYSA-N	246.394	4.742	0	10	BJAE	
CC1(c2cccc(NC[C@@H]3C=CCCC3)c2)CC1	2035593296	RPUKKGSBIQNVNA-CQSZACIVSA-N	241.378	4.506	0	10	BJAE	
NC1([C@@H]2[C@H]3CCCC[C@H]32)CCCCCCCCC1	2035888674	BBDMXAPOKHFFLG-ZSHCYNCHSA-N	249.442	4.645	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCCCC23CCC3)CC1	2035921722	DOAXSVSLVKOBOV-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC(CC(=O)[C@H]2CC23CCCC3)C[C@H](C)C1	2036098872	BCAIPXZFQXJQBJ-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CC2CC3(CC3)C2)CC1	2036725812	VWEFOGWBMUSDTO-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CC2(CC2)C1)C1(C)CCCCC1	2036756760	UCVTVXYKSRETGV-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C1CCCCCC1	2037101864	LMPFJWGUCDLKRR-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H]1c2ccccc2NC[C@@H]1C	2037227375	WFYKCKSKSQINEB-FHIRATQRSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@H]2C=CCCCC2)C1	2037276180	VSKAALZTQRMCEF-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC1CC1)[C@@H]1CCC2(CCCC2)C1	2037594374	RTZCXARRJBYIEY-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@](C)(CNC1CC1)[C@H]1CCC2(CCCC2)C1	2037702352	KPSGUFAMCOHTPR-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)[C@@H]1CCC2(CCCC2)C1	2037753934	APFXCGJDADUOLU-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1CC2(CCC2)C1)CC1(C)CC1	2038087669	KYUARVBMALXJLM-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](NC)C1CC2(C1)CC1(CCC1)C2	2039460550	RUDFHAWSOQGCJW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CCC([C@@H](N)C2(C)CC=CC2)CC1	2042020404	WYVPYHJZZCGEPY-YMAMQOFZSA-N	249.442	4.523	0	10	BJAE	
CC(C)NC[C@]1(CC[C@H]2CC2(C)C)CC=CCC1	2042093504	HYHYGDYQQDOFFP-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CN(C[C@@H]1CCC=CCCC1)CC1(C)CCCC1	2045307473	KVZCGVAUJSCSRZ-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CCCC1CC([C@@H](N)C[C@@H]2CCC=CCCC2)C1	2045330346	VKBCBMYTHHSRKC-VXLLPVPCSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCC1)[C@H]1CCCC(C)(C)C1	2049498453	LJTAPEWYSHWXPV-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(CC2CCC3(CC2)CC3)C1	2049852678	HRWLGJBUNOPXEL-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CCC1([C@@H](C[C@H]2CCCC3(CC3)C2)NC)CCC1	2049862260	XUKVQOWPZHRKMV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)[C@@]1(C)C=CCC1	2049998189	SVLPKWWOVVGJBZ-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@]1(CNC2CC2)CCCCC12CC2	2053353327	AZQGQVGVXYZEKT-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CC(C)NCC1(C2CC=CC2)CCC(C)(C)CC1	2053693400	DGUZZBJIAIHWNE-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC2CC(C3CCC3)C2)CC1	2058992271	QLHXLKBIKWDZEL-UPNFEZNFSA-N	248.410	4.598	0	10	BJAE	
CC=CCCCC[C@H](NCC)c1cccc(F)c1	2059248156	ZGDNUSGWFYAQON-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H](C)c1ccccc1	2059251654	AGYHMRLQSNIDAU-DVJJNNKXSA-N	245.410	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C2=CC[C@@H](C(C)C)CC2)C1	2061121236	DSYULWDRBOCECB-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C(C[C@@H](N)c2ccccc2C)CC1	2061142994	HFCAOAVTDLCNIU-RHSMWYFYSA-N	243.394	4.521	0	10	BJAE	
CCN[C@H](CCCC[C@H]1C[C@@H]1C)c1ccccc1	2062653309	ROEDIKOLRKHWJN-BHYGNILZSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC1C[C@@H]2CCC[C@H]2C1	2063490211	JEGCOVCQBJYCCP-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC[C@@H]1C)c1occc1C	2063677157	FRTSOZMJYZISMP-QEJZJMRPSA-N	249.398	4.598	0	10	BJAE	
C[C@H](N(C)CC1CCC=CCC1)C1(C)CCCC1	2067600976	MWJLWHATFZMNLV-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1C[C@H]1CCNC1CCC2(CCCCC2)CC1	2071465859	MPKCTWLZNSHPMS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(CC(=O)c2ccc(F)cc2)CCC1	2071919016	GUYYDLQOLIUZLS-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
Cc1cccc([C@@H](N)CC2(C(C)(C)C)CCC2)c1	2071939801	DQILSSCMOKSUCT-HNNXBMFYSA-N	245.410	4.601	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CCC[C@H]3C[C@@H]32)CC1	2072805927	HCOKKUNRERNHPX-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@]12CCCC[C@@H]1C2	2074025159	MMBIWZKWTAEBJJ-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC1CC(N)(C[C@]23CCCC[C@H]2C3)C1	2074026334	TUXJHHUKJOXDLW-OBKBAYEDSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC[C@@H]1C[C@@H]1C1CC1)CC1CCCCC1	2075818047	QKDOHWLANNQPJR-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CCCCc1ccc([C@@](C)(N)C(C)(C)CC)cc1	2078001852	SLHONIUVGZNCEA-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H]1C[C@H]1C1CCCC1	2079428893	SJTFPZCBFDPPFX-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCNC[C@@H]1C[C@@H]1C1CCCCCC1	2079461846	LXYZVXJCLXFHBM-VDJRXERYSA-N	249.442	4.539	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]2C2CCCCC2)CCCCC1	2079526687	DXPZKQCDTUNNFB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2C[C@H]2C2CCCCC2)CCC1	2079709206	DTZWMRJHILLPCB-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C(C)C)c1cc(C)cc(C)c1C	2082917728	BNHDIPHKVDJXPZ-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CC1(C)C[C@](N)(CC23CCC(CC2)CC3)C1(C)C	2084337518	BQWLOYYFSDMFPE-IMRCBTMISA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(C[C@H]2CCCC3(CC3)C2)C1	2085304225	ZAINAVHKAJHYBK-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CCCCCCN1CCC[C@@H](CC=C(C)C)C1	2213181698	DACKYTRJDHLBRG-INIZCTEOSA-N	237.431	4.635	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CCC[C@H](C2)C1)c1cccs1	2213285780	TYEGOSXOTHPYCL-CLLJXQQHSA-N	248.391	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC2(C)CC(C)(C)C2)C1	2215386877	QRGMXVBBHFMUGV-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](N)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216766730	ZENWTDWWVBZMBJ-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCCC1(CN[C@@H](C)CC)C(C)(C)C1(C)C	2217154286	SJPNODIBJVUBED-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(=O)c1ccc(OC)c(C(C)C)c1	2218074621	UNDBCCSDGMUTHW-UHFFFAOYSA-N	248.366	4.582	0	10	BJAE	
CC1(C)CC(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218322678	ONXJCJQXTAOFCV-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)N1	2218362618	ZPBIIOQSTZUPFV-DIECFANBSA-N	249.442	4.514	0	10	BJAE	
CN(CCCCCC1CC1)[C@H]1C=CCCCCC1	2218674857	MGGCTUDSYSWJCZ-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)C1(C)CC=CC1	2218721578	SRVNSEMWQWGBBS-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCc1cccc(CC=Cc2ccccc2)c1	2219078073	JJOBOPKIGAHMQC-UHFFFAOYSA-N	236.358	4.895	0	10	BJAE	
CCCCCC[C@@](C)(N)CC=Cc1ccccc1	2219082606	OJLFUQDYRFIGOQ-QGZVFWFLSA-N	245.410	4.778	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccnc(C(C)C)c1	2220886047	SOIUXEXNVFLOHR-DZGCQCFKSA-N	246.398	4.586	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CN)CC1(C)CC2(CCC2)C1	2221028596	RGSCPOQIXZCEBS-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC2(C)CC3(CCC3)C2)C[C@H]1C	2221036276	BFOKOAOTXTWLPU-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1(C(=O)CC2(C)CC3(CCC3)C2)CC1	2221070371	BTTRQSDUZDNZSH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C[C@@H]2CCC[C@@H]3C[C@@H]23)C1	2221084076	PWDOHCXARXBRRF-GUTXKFCHSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@](C)([C@H](O)CCC2=CCCCC2)CC1	2221613153	BYIJYMXVZBTQEW-IAGOWNOFSA-N	248.410	4.764	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CCC[C@@H]2C[C@H]21	2223107167	DPCQCRLMCJFKCN-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@]1(CNC2CCC2)CC=C(C)CC1	2223550360	MCKUNULTXRMZMW-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC(CNC2CCC2)(CC2CCCC2)C1	2223595599	NMEYKCOGFNHWQT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)N(CC)Cc1ccc(C2CCC2)cc1	2223679388	PDPCPKLPOSQAQI-AWEZNQCLSA-N	245.410	4.575	0	10	BJAE	
CCCCc1ccc(C(=O)C(CC)CC)s1	2242604838	JIKBWOJDXSXSLL-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H](CC)CCC	2244782401	MMXKBSSMFZQREJ-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CC1(C)CC(C)C1	2246558899	QLCBAPZTVYVLGL-HWOWSKLDSA-N	239.447	4.569	0	10	BJAE	
C[C@H](C(=O)CCCC[C@H]1C[C@H]1C)C1CCCC1	2247160507	VFOCWEBNAUPALD-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CCC2(C)C)c1	2247394590	PUIBQYJODPUYGR-CQSZACIVSA-N	231.383	4.658	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)C1CCCCCCC1	2247437216	YVBLQXTVRRXCBQ-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@]1(N)CCCCCC1(C)C	2247447625	ZOHUJGAUXCTWNU-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC[C@@H]1CCCC12CC2	2247612409	UTPOPVVLKQEYNQ-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccc(CC[C@@H]2C=CCCC2)cc1	2248167817	IAPUHKNLJRHJLW-MRXNPFEDSA-N	228.379	4.928	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@]12CCC[C@H]1CC2	2251164817	ZHLLLZFBBVGESG-BBRMVZONSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CC(C)(C)CCC1(C)C	2251678765	OCBUNPLHVQZFRC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCNCC[C@H]1CCCCC12CC2	2253783098	MBRHHKAFTQDLEK-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)CCC3(CCC3)C2)C1	2254002957	NPGGUCBJDUCVFV-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC1CC2(C1)CC(C(=O)[C@H]1CCCCC1(C)C)C2	2254488012	NNGHHKNRVHANBG-OPFKTAGGSA-N	248.410	4.598	0	10	BJAE	
CCCC(C)(C)Oc1cc(C=O)cc(C(C)C)c1	2254721904	IZXIXFOFEGSAEM-UHFFFAOYSA-N	248.366	4.580	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC[C@@H]2CCCC23CC3)[C@@H]1C	2255325455	AHBAIFHJUQUGTR-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CC(C)(C)c1ccccc1	2259436067	FDKRJEXJMRURIQ-GDBMZVCRSA-N	248.410	4.542	0	10	BJAE	
CCC1([C@@H](N)CC2CC3(CC(C)C3)C2)CCCC1	2259540633	QONWOTBUTHTPJO-UFFJXHMVSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)CC[C@@H]1CC1(C)C)C2	2259578501	RZCIHPBJCABILE-OPFKTAGGSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CCn1ccnc1C1CC1	2259608071	OPMRGVPEVIQXPP-CQSZACIVSA-N	248.414	4.613	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@]12CCCC[C@@H]1CC2	2260509683	XCSLFRAQJMBYGA-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC[C@](O)(c1cccc(C2CCCC2)c1)C(C)C	2260732049	URDFOGGIWWZDIE-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC1CC(C)(C[C@H]2CCNc3ccc(F)cc32)C1	2261349016	RMCLWCJJJBCTHA-BWBHSNQOSA-N	247.357	4.551	0	10	BJAE	
CCC(CC)CC[C@@H](N)C(C)(C)C1CCCC1	2300681056	KUZYNMNLQXPHTP-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCCC[C@]1(CO)CC1CCCCCC1	2301240941	DYRYCDOXXUSDOL-GOEBONIOSA-N	238.415	4.536	0	10	BJAE	
CCC[C@H](CCCCCC1=CCCCC1)NC	2302360150	ZBIQFMVVLWXEGW-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@H]1CCC[C@@H]1N	2302505938	CRMRGFUWHZDMQR-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CCc2cc(N)ccc21	2307827602	ZURFNDSNBDXORQ-OLZOCXBDSA-N	231.383	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)CCC1=CCCCC1	2307899946	DPLHAWRWJASJQK-GOEBONIOSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1C[C@H]2CCC[C@@H]2C1	2307911227	TWOPOEIHHRCQDO-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC=CCNC(C1CCCCC1)C1CCCCC1	2316358304	QAVDODCQHWPGBS-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@@H]1CCC(C)=C[C@H]1N)CCCC(C)C	2316536765	OBTQMJYIBGUVMV-IAGOWNOFSA-N	249.442	4.833	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H]1C[C@@H]2CC[C@H]1C2	2316541505	GXTUADJAKKHYAJ-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@@H](O)c1ccccc1)CCCC(C)C	2316574491	WQVPZZJGKDMBDG-QGZVFWFLSA-N	246.394	4.883	0	10	BJAE	
O=C(C[C@H]1C=CCCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316744475	OLUZWBAUKBKCDB-YHUYYLMFSA-N	246.394	4.518	0	10	BJAE	
CCCc1ccccc1OCC1CCCCCC1	2316884861	NEDRAMVHGUYVDJ-UHFFFAOYSA-N	246.394	4.988	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1C1(N)CCC2(CCCCC2)CC1	2317079025	GIAMQCAOMWHAFI-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCC1=CCCCC1)C1CC2(CCC2)C1	2318503979	TYLOITYEJIOWPC-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
C1=C(CCCNC2(C3CCC3)CCC2)CCCC1	2318570240	VHQJTXHJAOZWBI-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C1=CC[C@H](C)CC1	2318881618	XBCHKMGNSZSORY-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@@]12CCCC[C@@H]1C2	2320226419	NTMGVPAIMVUNRG-ZOMKSWQUSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@](C)(N)C2CCCCC2)CC1	2320329933	JRWKZNAXHYUDGS-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(O)CCC23CCCC3)CC1	2320338265	UHOLWWSYJLPYTN-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)C[C@@H]2C[C@H]2CC)cc1	2320385155	MVTIQNQZLOEZJP-OMNBBPDLSA-N	245.410	4.636	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2ccc(C)c(C)c2)CC1	2320410099	ARKACDITWIGCOS-INIZCTEOSA-N	243.394	4.852	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H](CCC(C)C)C2CC2)CC1	2320414246	XBSBIKKJZLQZRT-IRXDYDNUSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1	2320416807	NQPCUIYESLXTQB-AIANPOQGSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CN([C@H]2CCC3(CCCC3)C2)C(C)(C)C1	2320571564	WBEBHMBKRILZIS-AWEZNQCLSA-N	249.442	4.610	0	10	BJAE	
CCc1cc(F)cc(NC[C@H]2CCC(C)(C)C2)c1	2321076102	AJZGLMOQJKXJDB-ZDUSSCGKSA-N	249.373	4.626	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ncc(C(C)C)[nH]2)c1	2327703267	GUDXTQKKJNFHIC-UHFFFAOYSA-N	242.366	4.632	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)c1ccc(C)c(C)c1	2328211634	AEPMHVDZCBNXGT-WBVHZDCISA-N	248.410	4.727	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)c1ccccc1CC	2328277715	ZDETXCPWCFOJTP-YOEHRIQHSA-N	247.426	4.639	0	10	BJAE	
CC1(C)CCC=C(/C=C/Cc2ccoc2)C1	14660042	IFHROLMRQVKRCC-HWKANZROSA-N	216.324	4.515	0	10	BJAE	
CC(C)C[C@@H](C)Nc1ccc(C(C)(C)C)cc1	21796473	FMRJPZKPQMPPAA-CYBMUJFWSA-N	233.399	4.831	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)c1ccc(C)cc1	35541084	FOELVGMWJXDXDF-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCC(CCC)Nc1ccc(C)c(OC)c1C	37125826	BGTQRRUPNJONHU-UHFFFAOYSA-N	249.398	4.693	0	10	BJAE	
Fc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1	37210588	IDWHVVXMTZEXCL-WOSRLPQWSA-N	247.357	4.597	0	10	BJAE	
CCCCCC(=O)c1c(C)c(C)c(C)c(C)c1C	37353887	HFEOLYHBALPXRK-UHFFFAOYSA-N	246.394	4.992	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)C[C@H](C)CC	71127817	JMKYIKLCVOWCSJ-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CC(=O)c1cc(-c2ccc(C(C)C)cc2)oc1C	77072862	VHNVUFNFNKWLTC-UHFFFAOYSA-N	242.318	4.581	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCC[C@H](CC)C1	83784112	FNJPDEAAPRGPQD-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C2CCC(C)(C)CC2)c1	87942271	DONQOEOXWQOICR-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@H]1CC[C@H](C)C1	87990724	HBIFLPSZZPAULP-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1CCC[C@H](C)C1	89607656	UEZSYUWNLXRKMT-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(O)CCCCC2(C)C)C1	94284634	ZWHDIRBOCKNGDT-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cc(N)sc2C)cc1	105882742	GWXPRTVMYWDXDX-SNVBAGLBSA-N	245.391	4.819	0	10	BJAE	
CCCCC[C@H]1C[C@@H](C)c2ccccc21	111898735	WYJGPGQXRYNHKF-OLZOCXBDSA-N	202.341	4.858	0	10	BJAE	
O=C(c1ccc(C2CCC2)cc1)C1CCCCC1	132975494	QTGDBJCMQKLTAE-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CS[C@@H](C)c1cccc(N[C@@H](C)C(C)C)c1	134502506	PQYFJRCRAGNDEF-RYUDHWBXSA-N	237.412	4.567	0	10	BJAE	
CCC(CC)c1nc([C@H](C)CC)cs1	149228920	WBNLUBWVINSGFU-SECBINFHSA-N	211.374	4.560	0	10	BJAE	
CC(C)c1ccccc1OC1CCCCCC1	149501412	HGAFCDLTANPNGK-UHFFFAOYSA-N	232.367	4.912	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)C2CCCCCC2)o1	150038951	LUMAUWQGPKGKDA-ZIAGYGMSSA-N	249.398	4.598	0	10	BJAE	
CCCCCC[C@H]1CCC[C@H]1CNCC(C)C	155485276	XFBHPDGFDBEBPQ-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H]1C[C@H](CC)CC[C@@H]1CNC(C)C	156071216	UFOSPVSBJPAEOE-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)c1cccc(C)c1	160192146	DPURSDYFENIAQX-GOEBONIOSA-N	233.399	4.614	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)c1ccccc1CC	162385378	BCCHDKQDUOURDR-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CC(C)CCCC(=O)c1ccc2ccccc2c1	165703641	NUVNYLFRSIKPOX-UHFFFAOYSA-N	240.346	4.849	0	10	BJAE	
Cc1cc(F)cc2c(C(C)C)c(CC(C)C)[nH]c12	166055427	DONYOMPROALRQX-UHFFFAOYSA-N	247.357	4.937	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCC(C)(C)C	168121502	NSXFUQLKYPPQFJ-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CC1CCCC1	168915635	BYGCWGIWPCAHFE-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
C=C[Si](C)(C1CCCC1)C1CCCC1	201396709	CXFLNZNOAAKFLY-UHFFFAOYSA-N	208.421	4.679	0	10	BJAE	
CCC[C@H]1C[C@H](CCC)CC[C@@H]1CNC(C)C	219505716	KIMNGODFWPSMKI-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H]2CCCC2(C)C)cc1	226657889	NELRIFCVIFNSOJ-CVEARBPZSA-N	246.394	4.670	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)c1cccc(C2CCC2)c1	226801291	QEWBHRABOWKCSB-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
Cc1sccc1C(=O)CCC1CCCCC1	227886360	MCLCPUZQPRWZBP-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)[C@H](C)C(C)C	229145736	VHBMTIHGQHDIRU-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](CCC1CCCCC1)NC	229155139	SCPJABIUMYXDKW-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C(=O)[C@@H]1CCC[C@@H](C)C1)c1ccccc1	229198557	CXWXXHWVBIOQBO-BMFZPTHFSA-N	244.378	4.576	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(C2CCCCCC2)C1	231012136	STIHKAOMQYTUQJ-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C(=O)CC2CCC2)c2ccccc12	232155456	BMKHGIVNKHYBMB-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
CC[C@H](C)c1ccc(-c2ccc(F)cc2N)cc1	232217187	XRLFVDKHTDEJKG-NSHDSACASA-N	243.325	4.588	0	10	BJAE	
CC[C@H](NCC1(CC)CCC1)c1ccc(C)cc1	234031481	SPNORELMQGKJJN-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
C[C@H]([C@H]1CNc2ccc(Cl)cc21)C(C)(C)C	235592535	UFLLJYJZFWTBPT-BXKDBHETSA-N	237.774	4.531	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H]2CCC[C@@H]2N1	300117794	WKYKHCBGQJEHGI-VGWMRTNUSA-N	237.431	4.514	0	10	BJAE	
O[C@H](CCC1CCCCC1)CCC1CCCC1	302271447	RLWVLPNBUVWFPL-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
Cc1cc(C)c(NCC(C(C)C)C(C)C)c(C)c1	302539596	HYVZARNLFDLXPJ-UHFFFAOYSA-N	247.426	4.952	0	10	BJAE	
Cc1ccc(N[C@H](CCC(C)C)C2CC2)cc1C	306038959	MWWMFMLQAXKLGF-QGZVFWFLSA-N	245.410	4.930	0	10	BJAE	
Fc1cccc2c(C(F)F)c(Cl)sc12	306799456	FVATVYAEPAKIRU-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@H](CC)CC(C)C	308088977	ZZJZVUMXJRUJBK-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)NCC(C)(C)C1=CCCC1	308755551	KYFBYVVHTIZIEU-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@H](C)[C@H](C)CC	319281748	GJOZMVQTJQNVEZ-BZUAXINKSA-N	241.463	4.865	0	10	BJAE	
Clc1ccc(N[C@@H]2CCCC23CCCC3)cc1	328184048	OCEZXWGYZRKPPK-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
C/C(=C\CCNC1CC1)C[C@H](C)C1CCCCC1	380880643	CERGOEIYYZZBQJ-LULHVWEPSA-N	249.442	4.681	0	10	BJAE	
Fc1ccccc1N[C@H]1CCCCC12CCCC2	380930377	HOCFWVVPEWYYGF-HNNXBMFYSA-N	247.357	4.741	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CCC[C@@H](C3CC3)C2)C1	380954235	QUECXFUWTTZTSW-YALNPMBYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](N)c2ccccc2C(C)C)C1	381345568	LMCRKPKWDNIRKA-CPUCHLNUSA-N	245.410	4.636	0	10	BJAE	
CCc1ccc([C@H](N)CCC2=CCCCC2)s1	385701587	LCAOPSAXMWHXOX-CQSZACIVSA-N	249.423	4.591	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@@H](C)c3ccccc32)c1	385759557	UBBAFJPTDWOGLL-DYVFJYSZSA-N	237.346	4.655	0	10	BJAE	
CC[C@H](C)CCN[C@@H](CC(C)C)c1ccccc1	394462163	PIYCQJKVRKGYSR-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
CCc1cc(C(F)F)cc2c(S)csc12	396232767	CUFCYZFRSZBRGH-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CC(C)=CCCN[C@H]1CCC[C@H](C(C)C)CC1	397651748	FLIINKOEZKDNQH-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]([C@@H](N)c1csc2ccccc12)C(C)(C)C	399166333	KCEITMKCROIHLE-IINYFYTJSA-N	247.407	4.583	0	10	BJAE	
CC1(C)[C@H]2CC[C@H](Nc3cccc(Cl)c3)[C@H]1C2	400444496	ZRVMFFOWHYTVIN-GDLCADMTSA-N	249.785	4.577	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1coc2ccccc12	404313327	YAPUBMGOSBGQQY-MRXNPFEDSA-N	245.366	4.649	0	10	BJAE	
Cc1c(C(F)F)ccc(C(F)F)c1Cl	575676985	OZBOTSIFMAILIL-UHFFFAOYSA-N	226.600	4.524	0	10	BJAE	
Cc1ccccc1Oc1ccc2ccccc2c1	605700910	PMVRBPNZSROBPQ-UHFFFAOYSA-N	234.298	4.941	0	10	BJAE	
O=Cc1cc(C=C2CCCCCCC2)cs1	675051950	YFVYIDWNOIXDIQ-UHFFFAOYSA-N	234.364	4.688	0	10	BJAE	
C/C(=C/Cl)CNc1cccc(C2CCC2)c1	690124398	DDTUGHABLRESEV-LUAWRHEFSA-N	235.758	4.509	0	10	BJAE	
CCCNC[C@@]1(CC2CC=CC2)CCCC[C@H]1C	692153662	FWEZHCPFJSZZSR-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@@]12CCC[C@H]1C2	693155310	ZLEKSSUPJLULAO-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)c1ccc(C)s1	695097949	IWBLJQFLGRJJHP-VXGBXAGGSA-N	239.428	4.532	0	10	BJAE	
CCCC(CCC)NC[C@H]1CCCC2(CC2)C1	695681751	XJTOZIBGWKBQGZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCOc1ccc(Cl)cc1F	696798773	FVUJBTJKLZOYDJ-UHFFFAOYSA-N	244.737	4.684	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CCC(C)(C)CC	696799229	JNXDRJMGXODQFS-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1C(=O)CCC1CCCCC1	699754691	GTJOWSQQECTHHE-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC(=O)c1cccc(C(F)F)c1	701246182	HYCKYXCRLWORGK-UHFFFAOYSA-N	240.293	4.633	0	10	BJAE	
Cc1c(Cl)cccc1OCCCC(C)(C)C	702633132	NBEUWUJASFHERP-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)[C@H](C)CC(C)(C)C	704733039	FJYFGBZPDBLRLX-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(NCCCCC(C)C)c1Cl	707372993	HARBHHVQVPYDRZ-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@@H](C)CC(C)(C)C	708297686	SIRBMRRPZJVXPE-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@@H](N)C1CCCCCC1)C(C)(C)C	711113215	NDZUXIRTVIBTNZ-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H](C)C(C)(C)C	711194074	AAPDDAFREUMKNX-CHWSQXEVSA-N	226.404	4.844	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C1CCCCCCC1	713139247	VGPMDKPILCCHOS-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
C=C/C=C\CC[C@@H](NCC)[C@H]1CC[C@H](CC)CC1	713732781	VMJWWZDJXYGWPS-BEKDMHARSA-N	249.442	4.703	0	10	BJAE	
CCCC1(CN[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1	714258589	OTHAXQIQTJTNRL-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714425128	RESCXTKMZXVORP-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1NC[C@]1(C)CC1(C)C	717122130	JRJRQYMDEKKPJG-INIZCTEOSA-N	231.383	4.658	0	10	BJAE	
CC(C)CCCCN[C@@H]1CC(C)(C)CC[C@H]1C	717513732	VCYCMSQZFHOXMP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)C/C=C1/CCC[C@@H]1[C@H]1CCCCN1	718637057	YOUQOEFFEVLRKX-CZAONCGOSA-N	247.426	4.601	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1[C@@H]2CCCC[C@@H]12	718637292	ZPNJGBBEKDNTOJ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCc1coc2ccccc12	718699697	LPYZIGAIPIGCJI-UHFFFAOYSA-N	214.308	4.722	0	10	BJAE	
CC(C)=C(C)CCC(=O)CCC1CCCC1	718707106	CWMQOOAIPBJDQK-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CC[C@](N)(CCC(C)(C)C)CC1CCCCC1	720357840	JGLRFXHULLGYCE-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C(C)(CC)CC	721648499	IVMYMBLDMZQTTF-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CCN[C@@H](C[C@H]1CC=CCC1)C(C)(CC)CC	721674637	AYIUNIZIMYOPSQ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@@H]3CCC[C@H]32)c(C)c1	722078834	OTFQMRMMRYYIJF-ARFHVFGLSA-N	243.394	4.602	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)c1cc2ccccc2s1	722859240	YMKVJCKQHFLVJV-NSHDSACASA-N	244.359	4.520	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	724208821	BRQLJPBUQCFJCX-ARFHVFGLSA-N	231.383	4.636	0	10	BJAE	
Cc1ccc(-c2cccc(C3(C)CC3)c2)c(F)c1	757572187	OZLFUWNWGYJEOZ-UHFFFAOYSA-N	240.321	4.853	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCCC(C)(C)C1	1664776351	VIQZBAIQHRMEKU-GJZGRUSLSA-N	237.431	4.680	0	10	BJAE	
C/C=C/CCCC[C@H]1CCC(F)(F)C1	1885374046	QWRCMCSSWXUDKM-VUDBWIFFSA-N	202.288	4.558	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCC[C@H]1CC	1900701265	LDQUDLHUMHUSKZ-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)[C@H](C)C(C)C	1901711592	BXRRBDACBMVXMG-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC[C@H](C)CC1	1905367614	ZBJIQODERGUFSG-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1C[C@H]1CC)NCCC	1909579100	BAZDKYGERNQHGH-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCCC(=O)CC[C@@H]1C[C@H]1C1CCCCC1	1910809786	RETHDWSXOCFUJV-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
CC1(CC2(CN)CC3(CCCCC3)C2)CCCC1	1912550369	DCIKTNNGJNKZKY-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CCC(C)(C)CC	1919939188	AEWKHDZBHCACLN-HIFRSBDPSA-N	228.420	4.780	0	10	BJAE	
CC(C)c1ccc([C@](C)(O)C2=CCCCC2)cc1	1920044706	ZTPNTMKHVOTZJN-QGZVFWFLSA-N	244.378	4.518	0	10	BJAE	
CC1CCC(C[C@@H](N)[C@H]2CCCC23CCC3)CC1	1921587286	VJBICDYCRBRUST-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCCC1)C(C)(C)C1CCC1	1925949596	SPVJBENEZLEDAS-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)C(=O)CCCCCC1CC1	1936416391	CXYONASGFWAXHG-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@H](C)CC(C)C	1940794112	AMQSFRBKHIGETB-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(=C[C@H](C)CC(C)(C)C)c1cccc(N)c1	1940971534	SJTGMAWBRJJUSW-LBPRGKRZSA-N	231.383	4.744	0	10	BJAE	
CC(C)C[C@@H](C(=O)C1CCC(C)CC1)C(C)C	1941263943	GYJURLWSVPNLOV-YMAMQOFZSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@H](CC)C(C)C	1941273589	SNXHWFCDTRVECL-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC1(CCC)CCC1	1947459230	AYEOLEVXGYHZRN-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)C[C@H](C)CC(C)(C)C	1947511207	VMWHEHDMOVZYPZ-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCC(C)=C(C)C)CC1	1949046689	HMWOROAOMSHVEU-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CCCN[C@@H]1C[C@H]([C@H](C)CCC)CCC1(C)C	1949655018	ZVMGCZVITXXQDQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@H](O)[C@H]2CCC[C@@H](C)CC2)CCC1	1950911242	MYMCDFDOOGKQQQ-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
C[C@H](NCCCCCC1CC1)[C@]12CCCC[C@@H]1C2	1966499990	MQHNGAUORCSIPQ-USXIJHARSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1NC[C@@H]1CCC(C)(C)C1	1968528882	ZWXNJDOPFXKVOZ-CQSZACIVSA-N	245.410	4.877	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@@H]2CCC23CCC3)C1	1972259309	KXMJNBQIJBIRLW-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)C(=O)[C@H]1CCC[C@@H](CC)C1	1976008417	MGKHNZOTJXHBRY-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)C(=O)[C@H]1CCC[C@H](CC)CC1	1976343051	SEWYQURBCAFCTJ-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1csc([C@H]2CCCC(C)(C)C2)n1	1980273208	BNUDBTGARUSSHZ-NSHDSACASA-N	237.412	4.950	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC(=O)[C@H]1C	1982803318	UQGCQODLSMVRPG-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H](C)CCCC	1992048466	DOIUQEJKOXOYIN-UKRRQHHQSA-N	225.420	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)c1cc(C)c(C)s1	1993979158	NDMHYBFOQDKLKB-AWEZNQCLSA-N	240.412	4.543	0	10	BJAE	
CCC(C)(C)C(=O)C[C@@H]1CCCC(C)(C)C1	1994025328	FYGVCTFCUNLXES-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](Nc2cccc(Cl)c2)C1	1994914734	QVJOYACXLNAHNZ-BXUZGUMPSA-N	237.774	4.577	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@]1(C)C[C@@H]1C	1995202899	HXZOJEGNVWBDNN-YDHLFZDLSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CCN[C@H](C)C1(C)CCCCC1	1995988618	PJMKWOQSYKVVOA-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@@H](C)CC(C)C	1998033388	ZUUOXJQLNUPRBI-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCC1)C(CC)(CC)CC	2000371179	GPZSAFQMEWYXDD-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC1CCC([C@@](C)(N)[C@@H](C)[C@H](C)CC)CC1	2002970339	NRPGRGDYGKXWPT-HRMROMONSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CC2(C)CCCC2)C1	2002978862	MCAIXQZBUNJDAO-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(O)cc(-c2csc3ccccc23)c1	2003067350	RCEOBRSJUNKCAK-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCN[C@H](CC[C@H]1CC=CCC1)c1cccs1	2003689161	YMBHKFNNQZGXHN-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
Cc1csc(C(=O)[C@H]2CCCCC23CCC3)c1	2005562428	BBTNPKNLPFMRNE-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CC[C@@H]1CC=C[C@](O)(C[C@H](C)CC(C)(C)C)C1	2006657236	HMADRVUBGHRUEA-FMKPAKJESA-N	238.415	4.556	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1CC(C(C)C)C1	2007736265	BAZRHDMFVZKIAQ-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC[C@H]1CNC(C)(C)C	2009612049	QMCNLVXFZFYCOA-MUHKLVGJSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)CN(C)CCC1CCCC1	2011184552	SPOSCPFOVJGUPL-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)(F)F)cc1)C(C)C	2012750433	VTTJXMXDMLZZMW-ZDUSSCGKSA-N	241.325	4.645	0	10	BJAE	
CCc1ccc(N[C@H](CC)CCC(C)C)cc1	2013264587	OAVAUZVAVQXCSC-OAHLLOKOSA-N	233.399	4.876	0	10	BJAE	
CC(C)C(CC[C@](C)(O)CCC1CC1)C(C)C	2015337772	CEWJHWXFFDAUPE-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC(C)NCC1(C[C@H](C)C(C)C)CCCCC1	2015394125	LGGBINZLNCYNCX-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC2(O)CC(C)(C)C(C)(C)C2)CCC1	2015585125	YQONGZUKAVGCIE-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@]2(CN)CCC[C@H](C)C2)CCC1	2015643610	DSGITOAVZYQARA-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CC(C)CC1(C(=O)CC2CCC(C)CC2)CC1	2015743769	WOEIQFMANOQTOA-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)C2CC=CC2)c1	2016343295	KLWKBCRLYLNLBA-CYBMUJFWSA-N	229.367	4.577	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CCCC2CC2)CC1	2017662960	MRWRYJUOGXSTQV-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC(C[C@H](C(C)C)[C@H](C)O)CC1	2017717050	OAVCJJKDAIFCEH-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C[C@H]2CC[C@H](C)CC2)C1	2017773973	IISZFJLKCHTNBG-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1CC[C@H](C)[C@H](C)C1	2018132217	XRSBGPYOCIDRCU-ZJIFWQFVSA-N	239.447	4.747	0	10	BJAE	
CC=C(CC)[C@H](CCC1CCCCC1)NCC	2020965921	MVLKVRNIELFILS-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1C[C@H]1C1CCCC1	2022566093	SGWNYSZHFCJZHR-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
O[C@@H]1CCCCCCC[C@H]1CC(F)=C1CCC1	2023250364	YMDCJDHZDZWTEK-DZGCQCFKSA-N	240.362	4.505	0	10	BJAE	
Cc1cccc(COc2ccccc2Cl)c1C	2024072437	GRYLWFRDZUBHIN-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC1(CC2(CNC3CC3)CCCC2)CCCCC1	2027307195	SRNHQDNCSMQNAL-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(F)c2cccc(N)c2)C1	2027942319	VSBGCWWOXYPMBO-WWGRRREGSA-N	249.373	4.670	0	10	BJAE	
CCCCCC[C@@H](NC)c1ccc(C2CC2)cc1	2028591679	VLTGPAZMSLXZOZ-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CC1(C[C@@H](CNC2CC2)C2CCC2)CCCCC1	2029225717	OKCVSVZQKVZMOY-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H]1CC12CCC2	2032141202	JKLAQOKKTPEPOG-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2033817283	ZDCJWMDWVWGPMW-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C(C(=O)[C@]23CCCC[C@@H]2CCC3)C1(C)C	2034057663	OIGYDPNKCFSPMD-PXAZEXFGSA-N	248.410	4.598	0	10	BJAE	
CCc1occ(C)c1C(=O)CCC[C@@H]1CC1(C)C	2035534657	BPEYJSNDQNZSAU-GFCCVEGCSA-N	248.366	4.550	0	10	BJAE	
CCCc1ccccc1[C@@H](N)C1(CCC)CCC1	2037115498	NOEFCRSONHNUIM-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(N)CCCC12CCCC2	2037179912	VEDFDZWHYOBEEV-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCN([C@@H]2CCC3(CCCC3)C2)C1	2037674846	IFJLVGRMJAWWMQ-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)[C@@H]1CCC2(CCCC2)C1	2037689138	DAJOFSUAEFEVLD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c2[nH]c([C@H](C)CC(C)(C)C)nc12	2038003416	WJAICHRGEZYLKS-GFCCVEGCSA-N	244.382	4.719	0	10	BJAE	
CC1CCC2(CC1)CC(N)(C1=CCCCCC1)C2	2038893943	VSRUYRIDFAGSFT-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C[C@@H](NCC1CC2(CCC2)C1)C1(C)CCCCC1	2039869043	WIORRUUSQOZQQQ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CCC1CC1)NC[C@]12CCCC[C@@H]1CCC2	2040320790	BABFTZVUVYRWAC-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](C)NC1C[C@H]2CC=CC[C@@H]2C1	2042345539	ROSXFWPSQMCVQX-ARFHVFGLSA-N	249.442	4.680	0	10	BJAE	
Cc1cccc([C@H](N)[C@@H]2CCCC(C)(C)C2)c1C	2045380797	HOENRNWKEFWPGK-GDBMZVCRSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H]1C[C@@H]1CNC1CCC2(CCCCC2)CC1	2045668564	SQTCPYBKFHEQMB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1[C@H]2CCCCC[C@H]21	2048383379	YKPKDIIVHJAWNZ-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](N)c2ccoc2)CC1	2049635899	CCBMPAVBXPVZHD-IIAWOOMASA-N	249.398	4.666	0	10	BJAE	
CCC1CCC(N)(CC2CCC3(CC2)CC3)CC1	2049853103	DHKGWDUJNNZSES-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NC1C2CCCC1CCC2	2050041492	IWYACFRQQNQBEE-VATXVYSQSA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1[C@@H](O)CC[C@H](C)CC(C)(C)C	2050431330	QNFPFCPNNSSWJI-BBRMVZONSA-N	248.410	4.881	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCC1CCC(C)CC1	2050456314	PJLQNQXZAASFPB-PGEKIEPBSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H]1CCCC2(CC2)C1	2051401303	MYJQJQZRUCEBFQ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1C(C)=CCC[C@H]1C	2051405573	DXEDNCSKFKMHDI-ZACQAIPSSA-N	249.442	4.703	0	10	BJAE	
CCC1(CC)CCC(N)(C2[C@@H]3CCCC[C@@H]23)CC1	2051592413	ARUZQJAJNCSZBT-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](N(C)C2CCC3(CCCC3)CC2)C1	2051646401	SFESBYANIGHGAS-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@H]1CCC2(CC2)C1	2053405150	VTDVQIVQQMGWRZ-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H]1C[C@H](C[C@@H]2C=CCCC2)C[C@@H](C)C1	2055011351	GKJXUJLLLVMWAU-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(C[C@@H]2C[C@@H](C)Nc3ccccc32)C1	2056641694	BDWWJMNUCKOYTG-URGYJCLVSA-N	243.394	4.801	0	10	BJAE	
F[C@H](Cn1ccc2ccccc21)C1CCCCC1	2058027241	NYZDWIWHSRVOOC-OAHLLOKOSA-N	245.341	4.560	0	10	BJAE	
CCC1(C)CC(NC[C@@]23CCCC[C@@H]2CCC3)C1	2058828087	PIFLHGVCJQOTJU-VXLLPVPCSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCC3(CCC3)C2)C1	2059393382	FMVUMETVORURGE-PCKAHOCUSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C)CC1)C1CCCCCC1	2060926723	SRVLCFZDHKAKSY-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)(NCC[C@]12CCC[C@@H]1C2)C1CCCCC1	2061571976	OADUGBKKOWIMTK-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)C[C@@]12CCC[C@@H]1C2	2061618886	XILBQROGTUUTBD-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CCC1CC(=C2CCC2)C1)NCC	2061739782	QVIWLBKRKYDCOO-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCc1ccc(CC)c(NCCC[C@H]2C[C@@H]2C)c1	2062645615	GUMFCRIZHWEURZ-BBRMVZONSA-N	245.410	4.660	0	10	BJAE	
CC=CCCC[C@H]1C[C@@H](NCC)CC2(CCC2)C1	2063629351	ZDBDZGIORDXYIO-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](Nc1ccc(F)cc1C)c1occc1C	2063673298	YVXZFWRLHGXDCH-CYBMUJFWSA-N	247.313	4.599	0	10	BJAE	
C[C@H]1CC[C@H](C(N)(C2CCCC2)C2CCCC2)C1	2065937060	DBRZRTONVPXWQT-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2CC23CCC3)CC1	2069168763	SOXBQBSZLYGRQX-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@@H]1CC12CCC2)C1(C)CCCCC1	2069214233	KCDXSWFCPWNFOS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CC[C@@H]2C[C@H]12)C1CCCCC1	2071182350	COHDJLUNZNKDOP-IPYPFGDCSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@H](N)CC2(C(C)C)CCC2)cc1C	2071956446	OZIVAJOMJZVPKS-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CC(C)[C@H](Nc1ccc2ccccc2c1)C(F)F	2072002066	OCGUTZBXTIEUTF-AWEZNQCLSA-N	249.304	4.541	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2cc(C)cc(C)c2)CC1	2072793839	ODSUATRDNQZHQF-WKILWMFISA-N	245.410	4.932	0	10	BJAE	
CC1(C)CC[C@](C)(NC[C@H]2CCC=CCCC2)C1	2073064107	OKBATZSVXCBTDZ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)[C@@H]1CCCC2(CC2)C1	2073777089	SPVGMUIJUGSUPG-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@](N)(C[C@]12CCCC[C@@H]1C2)C1CC1	2074023513	CSLJOGWJAXVBOU-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN(C)[C@@H]2CCCC3(CCC3)C2)CC1	2074601795	UBAVYYYCJJIKND-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2077189452	IFXLWEJHLICEBS-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)[C@H]1CCCCC12CCC2	2079845213	XOAACNIDRJIAJB-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)CCC=CCCC2)C1	2082979702	POWRDATUTQUJNW-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCC[C@H]1CC12CC2	2086409005	NULADMQKXARTOL-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1sc(C(=O)[C@H](C)CC(C)C)c(C)c1C	2211699851	CKDWHPABTDUTIP-SECBINFHSA-N	238.396	4.538	0	10	BJAE	
CCC(CC)CC(=O)[C@]1(C)CC=C(C)CC1	2211857467	SALOTIVPWVWRTQ-OAHLLOKOSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H](N)[C@@H](C)CCCCCCCC1CC1	2212463234	QDHAYLIOBBUUKZ-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]([C@@H](N)CCCCCCC1CC1)C(C)(C)C	2213575136	BVIZTABIKGIOMT-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CNCCCCCC1CC1)CC(C)(C)C	2213596693	WOFVAGGSLYBKIS-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC1([C@](C)(O)CCCCC2CC2)CCCCC1	2214586207	VFXHDARZFYKFHS-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC1=CC[C@](CN)(C[C@H](C)CC(C)(C)C)CC1	2215832159	BHVNZEHVYNSYCV-GDBMZVCRSA-N	237.431	4.524	0	10	BJAE	
C[C@@H]1CCC[C@]1(N)CCCCCCCC1CC1	2216858169	BCIUYCHEZKYUID-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)NCCCCCCCCCC1CC1	2216876524	DNOVGBZNYDPZKP-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC1CC(CC2CC2)C1	2218464061	WXHHZZDEHINYID-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1CC12CCCC2	2218717458	DQEDYKHWOQEWSA-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@H](N)CC1(C)CC2(CCC2)C1	2221077766	ZVNHQMALBMVNDN-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CNC[C@H]2CCC[C@H](C)C2)CC1	2221644820	VIRIJEFVBYDMRQ-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC1(CN[C@H]2CCC[C@@H](C(C)(C)C)C2)CC=CC1	2222262506	DZJPTIBNADZURG-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@@]1(CNC2CCC2)C=CCC1)C(C)(C)C	2223563800	XJLPUDRUUORCIB-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)NCC1([C@@H]2CC2(C)C)CCC=CCC1	2223594989	BBONVYGHASKHHG-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](C[C@@H](C)C1CCC1)N2	2224122990	CUHKJJUBLFNNDC-CJNGLKHVSA-N	243.394	4.548	0	10	BJAE	
c1ccc2sc(CC3CC(=C4CC4)C3)cc2c1	2246917802	ZHKLNLCJXBQEHQ-UHFFFAOYSA-N	240.371	4.944	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CCCCC[C@H]1C[C@H]1C	2248842391	RINGLTQKMCUWTI-QXSJWSMHSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@]1(O)CCC1(C)C	2250496104	OUYDGPLVVXVNPB-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@@]12CCCC[C@H]1CC2	2251226693	YPELITOCVWECQN-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)NCC1CC(CC(C)(C)C)C1	2251532337	VTAZQJZQNRGPMC-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC1(CCC(=O)c2ccc3ccsc3c2)CC1	2253132217	FJHLVYNHCHNOFV-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
Cc1ccc(N(C)CCCC[C@H]2C[C@@H]2C)c(C)c1	2254604984	AUVOPIHVJNTTRB-HOCLYGCPSA-N	245.410	4.566	0	10	BJAE	
C[C@@H]1C[C@H](C[C@H]2CCC2(C)C)Nc2ccccc21	2254829701	FKVPXXCFDFNIID-MGPQQGTHSA-N	243.394	4.801	0	10	BJAE	
Cc1cccc(CNC(C(C)(C)C)C(C)(C)C)c1	2255422228	XUOJXEJPUZORRV-UHFFFAOYSA-N	247.426	4.545	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCC[C@H]2CC[C@H]21	2257339283	KBSYNWPCLSIMLK-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CN(C1CCC=CCC1)[C@H]1CCC12CCCCC2	2257950568	IMXJIESLOJITDF-INIZCTEOSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2CC3(CC(C)C3)C2)C1	2259570450	UAGQUDZDZQGRPT-CQUJLFGMSA-N	249.442	4.501	0	10	BJAE	
NC1(C[C@]23CCC[C@@H]2CC3)CCCCCCCC1	2260672472	PERLSMZYVJWMAL-HZPDHXFCSA-N	249.442	4.789	0	10	BJAE	
CCCc1ccc(C(=O)CC2=CCCCC2)s1	2300610502	ICSIPADQGDUFMA-UHFFFAOYSA-N	248.391	4.774	0	10	BJAE	
CCC(CC)CCC1(O)C2CCCC1CCC2	2300675116	BIPFUFDSCWWZOY-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCCCC12CC2	2300684372	TYDVQNNLSKYTSU-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@H]1CCCC1(C)C	2300684919	ZBPLOTKRCICNED-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)(CCC(CC)CC)C1CCCC1	2300704018	MOXBBQXMMCOREW-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@H](C)[C@H](C)C(C)C	2301837269	AUTFTMQIDHJRNF-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@H](C)[C@H](C)C(C)C	2301868394	YYBJFUGVCFSWMZ-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@H](N)CCC[C@H]2C[C@H]2C)CCC1	2302613942	WWBWQGQCZBSYNU-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)CCC(C)C)c1	2307500965	KIDFTXWWXDPXFO-UHFFFAOYSA-N	232.367	4.737	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN[C@@H](C)CC)C[C@@H]1C	2307922218	CRPAJEUAJBUQAV-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@H]1CC[C@@H]2C[C@@H]21	2308151308	WWDSJBMKQKAUPN-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2310179214	IITBKQNWZARMRY-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@H]1C[C@@H]2CC[C@H]1C2	2312937278	GBMHUSNCQUZGFG-QKPAOTATSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2)C1CCCCC1	2312950093	ZGPPKGASGHJSBP-XRGAULLZSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c([C@@](C)(N)CCCC(C)C)cc1C	2315949676	JWHBDIUCHCIFCL-KRWDZBQOSA-N	247.426	4.612	0	10	BJAE	
CC(=CCN(C)C1CC2(CC2)C1)CCCC(C)C	2316515672	VCTYYNVOVKOZIV-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CC(=CCn1cc(C2CC2)cn1)CCCC(C)C	2316517279	ROAJETQQOGYTQL-UHFFFAOYSA-N	246.398	4.533	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CC[C@@H](C)c2ccccc21	2316533319	YBZUQUUVKGVWPW-RHSMWYFYSA-N	244.378	4.518	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2316535033	FXFLFPQYNDKBAO-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCCC(=O)c1ccc(F)cc1C1CC1	2317095328	ROAMHZXWNHZNLR-UHFFFAOYSA-N	246.325	4.632	0	10	BJAE	
CCCN[C@@H](CC)c1ccc(C[C@H](C)CC)cc1	2317098498	BRZKFBSCNZIXPH-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CCC[C@H]2CC[C@H]21	2318538382	CNKWCDCKAKBNKD-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CCCC[C@@H]3C[C@@H]32)C1	2319247669	XWTGMIJMHLXHDD-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(NCC[C@H]2CC[C@@H]2C2CC2)c1C	2319739409	TVDRHSGAMWQXBM-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC[C@H]2C)CCC(C)=C(C)C1	2320267327	DNISSUYPJSNDAA-HYVNUMGLSA-N	249.442	4.539	0	10	BJAE	
CCCC(C)(C)C(=O)Cc1cccc(C(C)C)c1	2320630680	KLDNWOPQEDZIBT-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
CC(=CC=C1CCN[C@@H](C)[C@@H]1C)CCCC(C)C	2321308255	KPCBSCIBURCTAE-HOTGVXAUSA-N	249.442	4.703	0	10	BJAE	
CC1=CC[C@](CN)(CC[C@H]2CCC(C)(C)C2)CC1	2321618112	ARRIGWSZMLKXRA-NVXWUHKLSA-N	249.442	4.668	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC(C)(C)C1)[C@H]1CC=CCC1	2321631175	NOQUZSLDFFOSSJ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CC[C@H]3CCC[C@@H]32)C1	2321646049	UCGWUANKYKZGAF-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)NCC1([C@@H]2CCC[C@@H](C)C2)CC=CC1	2326699015	JDFKQZKRHLJKBI-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@@H]2C[C@@H]2C(C)C)c1	2327783896	IFVKLYSTAKWOGQ-GDBMZVCRSA-N	244.378	4.593	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccc(C(C)(C)C)cc2)C1	20558525	YBXJPXGYSJJUQA-CJNGLKHVSA-N	245.410	4.975	0	10	BJAE	
CCCCCC[C@](CC)(CCC)NCC	32157038	WPBUWLGXRUFDKM-AWEZNQCLSA-N	213.409	4.515	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCCC[C@@H]1CC	37031839	SBTPZKXQBQETJJ-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
CCc1c(Cl)cccc1-c1ccccc1	59565947	ZBQPBDDYLXVNLU-UHFFFAOYSA-N	216.711	4.569	0	10	BJAE	
CCCN[C@@H](CCC[C@H](C)CC)c1ccccc1	80425088	YUTAVLKOEIKDIM-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@@H](C)CCC	82816897	LLKUNAYZOMXKBA-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@]1(N)CCC[C@@H](CCC)CC1	83437442	SPEDMAOVGXWDDF-CABCVRRESA-N	225.420	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H](NC(C)(C)CC(C)(C)C)[C@H](C)C1	85098034	XBUDBFVYJLYVGT-MGPQQGTHSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)C/C(C)=C/CCNCC	86572472	GTDKZZMPCMRJRC-YVGNARHYSA-N	225.420	4.539	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC[C@H](C)CC2)c1	86879255	PMEHGVQESPUGPI-SWLSCSKDSA-N	231.383	4.684	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(c2ccccc2C)CC1	86939534	JORVFGPXWGISFZ-NVXWUHKLSA-N	245.410	4.529	0	10	BJAE	
C[C@H](N[C@H]1CCCCC[C@H]1C)C1CCCCC1	88508241	ALWRFQFXRKPJSM-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
C/C(=C/CCNC(C)C)c1ccc(C(C)C)cc1	93675264	AQUKYRCKJZHNSD-CHHVJCJISA-N	245.410	4.601	0	10	BJAE	
C=C=C(c1ccccc1)c1cccc(Cl)c1	106488968	FZDYDDLPWGBQKM-UHFFFAOYSA-N	226.706	4.557	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1CCC(C)CC1	109736796	OQJGNLBWOBTPGL-GRAKBVBRSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)c1cccc(C)c1	110229560	VBIGWYQSIYUVTC-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCCCC[C@@](C)(O)c1ccc(C(C)(C)C)cc1	132820483	NGGDKFQDEPGYHT-QGZVFWFLSA-N	248.410	4.772	0	10	BJAE	
CCN[C@@H](CCCC(C)C)c1sccc1C	133468453	SBCKVDWEGVZFPX-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)C1CCCCCC1	149746971	ZKAHUNKYTWLCNP-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](CC1CCCCC1)NCCC	162029263	TUPNFHZUAGUYMZ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@H](CCC)C(CC(C)C)CC(C)C	166057034	ZAEWSPBPRVVNJP-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@@H](NCC)c1cc(C)c(C)cc1C	168640130	HPCXBSIBEDQZLA-QGZVFWFLSA-N	247.426	4.843	0	10	BJAE	
CCN[C@@H](CC(C)C)c1cccc(C2CCC2)c1	169027057	PSDPNIGATDOFEN-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@H](CC)c1ccccc1	228686168	URMPGSBRBDCLFX-IAGOWNOFSA-N	247.426	4.595	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](N)(CC2CCCC2)C1	230787899	ZPQIPRKLQHAXGA-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC(C)(C)C(C)C)CC1	233908986	ZSIYDJAIDFNJBG-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H](C2CCCCC2)c2ccccc2N1	235410213	DUXSHVRDBQRIQJ-DOMZBBRYSA-N	229.367	4.555	0	10	BJAE	
C[C@H]1CC(c2cccc3c2NCCC3)C[C@H](C)C1	235693386	LAXJKKKUVXUWDP-CHWSQXEVSA-N	243.394	4.584	0	10	BJAE	
CC[C@H](C)C[C@@H]1CCCCC[C@H]1CNC(C)C	251791887	JWDKOBORCSTDFS-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C2(C)CCCCC2)C1	300244798	AEZXWKDKJRRMJT-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](CCC(C)(C)C)NCC	300812898	GALWTMPAUADANZ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC[C@H]2C)c1Cl	300935585	WURPJZYIZLKUIS-PWSUYJOCSA-N	237.774	4.639	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@H](C)CC(C)C)C1	304173413	MGBDCGUQCZYPIB-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1ccc(C2CC2)cc1	305902681	BOCAGXJIEQBTPM-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CCC1=CCCCC1	308019709	IWPBLHANNOSJBD-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CC[C@@H](n2ccc3ccccc32)C[C@H]1C	309942227	OAEYEQUKONKEOP-UMVBOHGHSA-N	227.351	4.639	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1cccc(C)c1F	310284768	ZUGGECQQLJKNPS-QWHCGFSZSA-N	235.346	4.515	0	10	BJAE	
C[C@@H](C[C@]1(O)CCC(C)(C)C1)C1CCCCC1	310375348	ZMNUKDGKZJKHPE-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC(C)C)CC1CCC(C)CC1	310467446	AIFYFSYZUITQQI-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1)C(C)(C)C(C)(C)C	310890221	UELMWEPHOHHSCL-HNNXBMFYSA-N	247.426	4.718	0	10	BJAE	
Cc1ccc2ccn(C/C=C\c3ccccc3)c2c1	311259183	GPTOBHQLOUOPLK-YVMONPNESA-N	247.341	4.663	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CCC1CCCC1)CNC1CC1	318494945	DHTYAPQGDJBSRW-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](c1c(C)cccc1C)[C@H](C)C(C)C	319554545	JVFFUKJTZOWLOZ-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CCC1(CN[C@@H]2CCCC23CCCC3)CCCC1	328121791	RIGHFBBLDVHWSJ-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCC1(C(=O)CC2CCC(C)CC2)CCCC1	379763735	GFKKRTWCARCPEB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCNCCC(C)(C)C[C@H](C)C1CCCCC1	379866353	SYRZDZONSOQVET-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CCCCCC(C)C)c1	383465817	BPKQRWQGTWWCMT-QGZVFWFLSA-N	248.410	4.943	0	10	BJAE	
CCC1(CC(=O)C[C@H](C)CC(C)(C)C)CCC1	383685302	PPGQWICIYBEXQV-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CCC1=CCCCC1)NC(C)C	384875424	RZMAAQDMTZFMCX-MRXNPFEDSA-N	237.431	4.824	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CCC1=CCCCC1	384934444	IWADFMNXEFJSDD-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CC[C@H](N[C@H]1CC2CCC1CC2)C1CCCCC1	394332113	SPYJAFAMIRPQJA-KMZOKZLKSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@]1(O)CCCC(C)(C)C1)c1ccccc1	395316814	ZGEOPVDNLFVPCU-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)CCC1CC1	395637159	WIVHGWLXWVFLJV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc2sc(SC)c(CC)c2c1	396176589	GMLPOQPNADECTF-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCC[C@H](Nc1ccccc1CC)[C@H]1CC1(C)C	397637558	WONWTKIEHWOKSV-ZBFHGGJFSA-N	245.410	4.876	0	10	BJAE	
CCCC(CCC)[C@H](O)c1coc2ccccc12	404649954	QBFKXIINSDOKQI-INIZCTEOSA-N	246.350	4.683	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC(C)(C)c1ccccc1	686738717	PBQPHNKSAXFJNC-CQSZACIVSA-N	246.394	4.606	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCCC1CCC1	688406897	YBRCSFAMHCRCOP-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCNC[C@@H](C)[C@H](C)c1cccc(C(C)C)c1	688971103	KQNOOXOJWSACTJ-CABCVRRESA-N	247.426	4.549	0	10	BJAE	
NC1(CCC2=CCCCC2)CCCCCCC1	690298749	KGNXAMWKJHHOQD-UHFFFAOYSA-N	235.415	4.709	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1Nc1ccc(F)cc1	691099921	LBGQUTPTRYROBY-JKSUJKDBSA-N	249.373	4.843	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@@H](C)C(C)(C)C	691169901	UTYPVGXGTXYHQR-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CC(C)=CCC[C@@]1(O)CCCC12CCCCC2	697624025	WLYVQFWQGINMGT-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@H](CCC=C(C)C)C1	697775432	XOAYYEPCOKTGLU-BZUAXINKSA-N	237.431	4.524	0	10	BJAE	
CCCC(CCC)C(=O)CCC=C(C)C	697816401	PERLBIBJYQIUJD-UHFFFAOYSA-N	210.361	4.518	0	10	BJAE	
CCCc1ccccc1O[C@@H]1CCCC[C@H]1CC	699505894	HVFWNMKQJXIGMD-GDBMZVCRSA-N	246.394	4.987	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](O)CC1CCCCCC1	704855903	DWTJDOVAJUBNMO-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H]1CCCC[C@@H]1C	704916736	IGUYVBKULJELTK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCOc1cc(C)ccc1NCCCCC(C)C	707410416	PEYUUPZRGIWEIN-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CCCc1ccccc1[C@@H](N)[C@H](C)CC(C)(C)C	708286653	SZNDDSLYFRAEKR-CJNGLKHVSA-N	247.426	4.711	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](C)CC(C)(C)C)cc1C	709263075	PJBZLEIQWDEEBK-ZDUSSCGKSA-N	232.367	4.558	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(N)[C@]23CCCC[C@@H]2C3)C1	709275388	KIJLEZONTXYHPY-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CCCC[C@@H]1C(C)C	710025532	PNUCRLCHGVYCSX-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](CC(C)C)[C@H]1CCCC(C)(C)CC1	710052612	DCQDPFVKZOEGBW-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C12CCC(CC1)CC2	710094039	PEMFTZFZOSYYOG-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C[C@@H](O)c1cc(C)cc(C)c1)C(C)(C)C	711085735	FMSIFIWOMZDHOZ-HZPDHXFCSA-N	248.410	4.799	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1C[C@@H]2CCCC[C@@H]21	712491398	OBAVLZYHIYTHKP-VGWMRTNUSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)CC1CCCC1	712512908	BFJZWRJSXRFTBN-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1C[C@@H]1C1CC1)C1CCCCC1	712900851	YLSIUJJBGTZZIH-SRCQZFHVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)CC(C)(C)C(C)C	713142300	IPOQZMGHWVDGGS-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC(C)(C)C(C)C	713176284	UOAAPHSLXPCFHS-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CC(C)(C)C(C)C	713259381	SSUSHVPGDOUULZ-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCNC[C@]1(CC(C)(C)CC)CC[C@H](CC)C1	713337191	VGBIIFXQUJOVOP-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C/C=C/CCc1ccc(CCCC)cc1	714533426	NOBDFESCEGNGHA-HWKANZROSA-N	202.341	4.538	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCCC[C@@H]1CNC1CC1	718493489	KUXOIOFOYUVIGU-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H](C)CN[C@@H]1CCCCCC1(C)C	718990947	YLCDIGVSWFABKY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCCC2(C)C)cc1	719265589	JKJBKJJHPZUFNF-HNNXBMFYSA-N	231.383	4.766	0	10	BJAE	
Cc1cc(O)c(C)c(-c2cccc(C)c2Cl)c1	719675807	LVCCLOCMFAXJAZ-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cscc1C(F)F	720250899	NOHCLXXDZLWLLD-QMMMGPOBSA-N	246.322	4.695	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@@H]2CC23CCC3)CC1	721180102	YNNJAJMFPUIXEH-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)[C@H](NC)c1ccccc1C(C)C	721662818	AKTBAQUVQZFRTO-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C[C@H]1CC12CC2	723184019	XMRQBVLOGBDLBR-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
O=C1CCC2(CCCCC2)c2cccc(Cl)c21	757186976	JLUIFDNAPRXJLC-UHFFFAOYSA-N	248.753	4.518	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](CO)C1CCCCCC1	829249830	CEODLYCGVJZEKM-GDBMZVCRSA-N	240.431	4.638	0	10	BJAE	
CC(C)CN(CCC1CCCCCC1)C(C)C	1190331459	GUWJZQKJZRIHEI-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
C1CCC(CSCCCC2CCC2)CC1	1643664963	OCUOJCNMYAQMOT-UHFFFAOYSA-N	226.429	4.880	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CSc1ccccc1F	1651732767	BQHWIXQLYYTZBX-NWDGAFQWSA-N	238.371	4.744	0	10	BJAE	
C[C@H]1CCCC[C@H]1CSc1ccccc1F	1651732768	BQHWIXQLYYTZBX-RYUDHWBXSA-N	238.371	4.744	0	10	BJAE	
CC1(C)CCC[C@@H](CNCC[C@@H]2CC=CCC2)C1	1658437647	ZEORTVBAIALEOB-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CCC(=O)C(C)(C)C)CC1	1902768481	OGJYGYRXCUKNOK-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C(C)(C)C(C)(C)C	1905436260	YLJMBVMLPWIUJP-QWHCGFSZSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@](C)(N)CC1CCCCC1	1908576162	BBOMKIAHJAUYNQ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	1910658932	BAVLQHLOZAVDPP-AEGPPILISA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C=C(CNC1CC1)C1CCCCC1	1911944660	BTNNEGQXZCBNQE-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCNCC(=C[C@@H]1CCC[C@H](CC)C1)CC	1912051688	LXTWBWDGJTWLJR-GOEBONIOSA-N	237.431	4.539	0	10	BJAE	
O=C(C[C@H]1CC=CCC1)C1CC2(CCCCC2)C1	1912616950	MWSZOEQARUIEPR-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H]1CCC2(CCCC2)C1	1916417950	QSSSCGRHYJUPFQ-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CC1C[C@@H]2CCC[C@H](C1)N2)C1CCCCC1	1922311163	VSWYZWZZJXDHSE-YTTRVJOFSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H](C)C1CCCCC1	1924080723	HQDSGMBFOWHORJ-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCNC[C@](C)(CC(CC)CC)C1CCCC1	1924118004	DOAHDDUGKXPABG-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCOc1cccc(NCCC(CC)CC)c1	1926188003	YLJPOLMNPZCFBW-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCC(C)(C)C[C@H]1CN	1927160918	KPXKZNBVDBCTJU-KBPBESRZSA-N	239.447	4.604	0	10	BJAE	
CCc1cc(C(=O)[C@H](CC)CC(C)C)cs1	1936768198	BGTLYGKCXZTXSI-LLVKDONJSA-N	238.396	4.566	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1CCCC(C)(C)CC1	1939901425	ULSIARJFDQXOCK-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](C)NC[C@@H](C)C(C)(C)C	1940246212	OQCLLAZHXHKGLJ-ZIAGYGMSSA-N	241.463	4.575	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@H](CC(C)C)C(C)C	1941246013	OODGDLMBVNENBZ-HUUCEWRRSA-N	242.447	4.882	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC1C[C@H](C)C[C@@H](C)C1	1944199821	QENXSDMBTVZRPM-HGTKMLMNSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](N)CC1CCCCCC1	1944818713	GQEUJOHJMCNADX-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1cccc2sccc12	1945970454	OSDGHVYERPYTPL-CYBMUJFWSA-N	247.407	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CC(C)(C)C(C)C)C1	1949004385	YAYNELWPVSFVNP-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C[C@H]1CCC(C)(C)C1)NCCC	1949540758	NYXSBDBPBMGWCX-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCC(=O)CCCCCCOC(C)(C)C	1949741681	DOYYXVJQORQCKV-UHFFFAOYSA-N	242.403	4.511	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC[C@@H](CCN)C1	1950515362	LCEQLTRLRBKAHB-CVEARBPZSA-N	239.447	4.748	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1CCC[C@H](C)CC1	1950922108	LQQFVFGBLAJQCV-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](N)[C@@H]1CCCC(C)(C)CC1	1950922479	OEJNEQIUJUXLOL-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCC1(CC)CCC(NC2[C@H]3CCCC[C@H]23)CC1	1967703738	WBAWSNDSRIUSSX-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](NC(CC2CC2)CC2CC2)C1	1969843758	GVIGQKGTIPNSQK-HNNXBMFYSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@H](CNc2cccc3ccsc23)C1	1971684785	HCEJHMPUYPSNJS-RYUDHWBXSA-N	245.391	4.749	0	10	BJAE	
CCCN(C[C@@H](C)CC(C)(C)C)C(C)(C)C	1975436404	IYZFHKZQFLXJJP-ZDUSSCGKSA-N	227.436	4.569	0	10	BJAE	
CC(=O)CC(C)(C)C[C@@H]1CCC=CCCC1	1978284164	TZGCYGIWXHMNNQ-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CC(C)C[C@@H](C)[C@H]1CCCCCCCC1=O	1980318690	FNNXMCPENHQLRM-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@]1(C)C=CCCC1	1980484183	JTCUDLSSOJMGKW-OAHLLOKOSA-N	222.372	4.518	0	10	BJAE	
CCC(C)(C)CC[C@@](N)(CC)CCC(C)C	1986938911	QJNMXJXGQSNJQZ-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CC(C)[C@@H](C)C[C@H]1CCCCCCCC1=O	1988302832	OLEVOKQQFALXAO-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](CNc1cc(F)ccc1Cl)C(C)C	1988764213	JKMFVCAGTHLILW-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@H]1CC[C@H](C)C1	1996265548	AQWWNHITVZAPEF-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@](O)(C1CCCC1)C1CCC(C)(C)CC1	1996547648	OSLBLBGCIBSWOC-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](Nc1ccccc1SC1CC1)C(C)C	1996549836	RXJYDIUKBDNBRF-CYBMUJFWSA-N	249.423	4.788	0	10	BJAE	
Cc1csc([C@@H](N)C[C@H]2CCC=CCCC2)c1	1999988569	RLPZONUGQOZOFM-KBPBESRZSA-N	249.423	4.583	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CCCC(C)(C)C1	2000096436	IUUFJJRYBDHHEZ-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)[C@@H](C[C@@H](C)C(C)(C)C)NC	2000318745	DZRSJWDYXKBGCO-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H]([C@@H](C)C(C)C)C1(C)CCCCCC1	2000371837	JQIHIZBUTFRLRR-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CN)[C@H]1CCC2(CCCC2)C1	2000501907	JALUMVVZHPMZKT-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002200407	ZSTPRLGLWOUJLF-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@@]1(CC(C)(C)C)CCCC(C)(C)C1	2002993105	IGSSUBDEYBXPTR-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCNC1CCCCCCCC1	2003093412	SKPSZGGDIOCDHA-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCN[C@H]1CCCCCC[C@H]1CC1CCCC1	2003102996	ZXEFPUBXSIWBGE-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H](CC(C)C)C(C)C	2004229005	FAZVLNOXRCYPBN-JKSUJKDBSA-N	239.447	4.639	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCC[C@@H]1CCC	2004706748	QCLRQRHNUHXPBP-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)C2(C)CCC2)CC1	2004834640	OTZXYAKIUXDMHN-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)C1(C)CCCCCCC1	2004920528	KVIZACZATAQVSQ-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCCC[C@]1(CNC(C)C)CCCCC12CC2	2005561641	RRAUSLSTJBTJGX-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H]1C[C@@H](CCCC(C)(C)C)C[C@@H](C)C1	2006624723	RZICPARTICVABP-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@@H](NCCC)[C@@H]1C	2006978257	ICLDMAWTONTYSM-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@H](N)CCCC(C)(C)C	2007623598	VJBQFNBEILMKKE-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H](CC)C(C)C	2009616280	HPIOPGXZRBTKNN-GRLYAWNKSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@@H]1C1(C)CCCCC1	2009766725	AXASLAPJCZUXID-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC[C@]12CCC[C@H]1C2	2010983477	VZCUENSLYNBKJD-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CCC[C@H]1C[C@@H]1C)CNC(C)C	2011582880	FAISLUUWFROMII-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC12CCC(CC1)CC2	2012813931	SGNYMLJLCYOQHB-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CCCC[C@H]1CC	2013264816	QCKGVAOSIRFAPN-OAGGEKHMSA-N	239.447	4.760	0	10	BJAE	
CCCC1(C[C@](C)(N)C2CCCCC2)CCC1	2015588305	DQCYTNSWMYTEPY-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@](N)(CC)C[C@@H](C)CC)CCC1	2015649086	WSAAOURDKABWQJ-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2016148602	BBKSTPXSUQGLAS-QXSJWSMHSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)CCC=C(C)C	2016150300	SDXMHTTWFJGZHD-JKSUJKDBSA-N	239.447	4.926	0	10	BJAE	
CCCCC[C@](C)(O)CC1(C(C)(F)F)CCC1	2016720823	RQUIHUDMGUHUHO-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)C1(C(C)(C)C)CCC1	2017133607	UWIKNCBSSAVJPN-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CC1(C)C)C(C)=C(C)C	2017476646	ZGZGPWJFLDTIQH-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C[C@@](C)(CN)C(C)C)CC1	2017728388	KYZKPIXTQBQANR-GPANFISMSA-N	239.447	4.604	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@H]1CC[C@H](C)CC1	2017729290	VDSWORNDCJESFA-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](CC)NCCC1(C)CCCC1	2018139347	QVULCRHWOYNVID-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@]12CCCC[C@H]1C2	2018572576	FWFVJGABZYVXFL-HRCADAONSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1CCCCCCN1[C@@H]1C=CCCCCC1	2019121459	IZBLEEMVSNUYJY-JKSUJKDBSA-N	235.415	4.530	0	10	BJAE	
CC[C@H](C)C(=O)C[C@H]1C[C@@H]1C1CCCCCC1	2022553170	DKZPGPBUMOBTGS-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCC[C@H]1CCCC(C)(C)C1)C(C)C	2024091212	GGIUNWIBMWMPBY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)Cc1csc([C@H]2CCCC23CCC3)n1	2026528003	ZGONRCZPAFGOFS-CYBMUJFWSA-N	249.423	4.779	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@H]1CC=CCC1	2027517513	HTZUYOOJCMKSQF-WMLDXEAASA-N	243.394	4.556	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1C[C@@H]2CCCC[C@H]21	2028759452	IIASEJGWVQEHRR-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1C[C@@H]2CC[C@@H]2C1	2029080642	KAEPYYABFMDXOJ-BTTYYORXSA-N	243.394	4.585	0	10	BJAE	
CCC[C@@](N)(CC)c1ccc(C2CCCC2)cc1	2031752698	QRWYQGHHZKLSCO-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
CC(C)[C@H](Nc1ccc(C2(C)CC2)cc1)C1CC1	2032243007	POKLPZCGPRXCCT-INIZCTEOSA-N	243.394	4.585	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)C1=CCCCCC1	2032341965	PRDKVEZTTJTOPY-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CC1(CN[C@H]2CC[C@H]3CC[C@H]2C3)CCCCCC1	2035044153	PNTMNWWVVPXPIF-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1(O)CCCCCCC1)c1ccccc1	2035548740	JJNXVINYJKQEAW-HNNXBMFYSA-N	246.394	4.656	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2CCC=CCC2)CC1	2037208154	QHSHCSIGXYZXMV-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2CCC(C)(C)C2)C=CCCC1	2037694091	KGOURRLRCVNPOA-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@H]2CC[C@H]1C2)CC1CCCCC1	2038168113	TWLRZNKIXZZEQP-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1NC1CC2(CCC(C)(C)CC2)C1	2038932180	ALVJBMYSQLEGFL-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC1CCC1)CC12CCC(CC1)C2	2039419240	CUKBJOJSXLMBIJ-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)C[C@H]1CCC[C@@H](C)C1	2039433988	GJUUNWVDQDKRCT-UVLCOCDESA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC1(C)C)[C@@]1(C)CC=CCC1	2042018668	HWBDGALNCNLXSB-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C[C@]1(CNC(C)(C)C)CC=CCC1)C1CC1	2042092958	BFDRFRWXSSPHIN-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC=CCCC1)C1CC(C)C1	2045330318	VGVGVUTZXXCHSW-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(=O)CCCC1CCC1)c1ccccc1	2045558158	BBLMJFDIGDJMQZ-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
CC1(C)CC([C@@](C)(N)C[C@@H]2CC23CCCCC3)C1	2047058899	MKPIYVUIDQTMBV-ZBFHGGJFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@H]1CC12CCCC2	2047062111	LFFYQILGERBKTN-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21)C1CC1	2047424438	LAQADWRBGBFEMB-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2CCC23CCC3)C1	2047932914	PYKIDLSZEPYVTE-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
NCC1([C@@H]2[C@H]3CCCCC[C@H]32)CCCCCCC1	2049212686	UOZLNLPMWDREAV-ZSHCYNCHSA-N	249.442	4.502	0	10	BJAE	
C[C@H](C[C@@H]1CCCC2(CC2)C1)C1CCC(N)CC1	2049852177	BJNWHKJHGXDAEF-QVOMUQBLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC[C@@H]1C(C)C)c1ccccc1	2053267828	UYFDAZYLUDTXSC-BRWVUGGUSA-N	245.410	4.552	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2CCCC=C2C)CC1	2055668747	FMGHERJXAWBFOL-INIZCTEOSA-N	249.442	4.824	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2CC3(CCC(N)CC3)C2)C1	2056617282	PSUNRXXCTRCUKZ-LIHZJYIUSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(N)(C2=CC[C@@H](CC)CC2)C1	2061119634	QZCYRUSFQICRJT-HPUBIQBYSA-N	249.442	4.811	0	10	BJAE	
CCC[C@](N)(CC[C@@]12CCC[C@@H]1C2)C1CCCC1	2061617555	PXLGHDUPPRYIGC-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C)CC(C)(C)CC1CC(=C2CCC2)C1	2061727684	AGGOODYORWNBFZ-CYBMUJFWSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC(C)(C)C(C)C)C1CC(=C2CCC2)C1	2061735145	VOXDKPHUGLTWTN-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
O=C(CC12CCC(CC1)C2)C1CCCCCCC1	2065279055	FSTVHNNESSPOAY-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCOc1ccc(N[C@H](CC)CCC(C)C)cc1	2065991230	VJHQTRWWGDULKK-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2C[C@@H]3CC[C@H]3C2)C1	2068704995	SHIZQZOJMCJMEA-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C(=O)CC1C[C@H]2CC[C@@H]2C1)C1CCCCC1	2068710323	JIKVILYLJZBQMM-APHBMKBZSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CC(=O)c2cccc(C)c2C)CCC1	2069267791	GGNBJKRGYCYCIN-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2(CC3CC3)CCC2)C1	2069506908	JMBKEUCQDIFXFQ-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@H]2CCCC3(CC3)C2)CC1	2069521428	KYFPAQJCGNWESY-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@]23CCC[C@@H]2C3)CC1	2070926392	MOPMROZCFQJEBX-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc([C@H](N)C2(C(C)(C)C)CCC2)c1C	2071934757	UNGPIFYUECRGEY-HNNXBMFYSA-N	245.410	4.520	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2072418735	VGVGXIIRSXVJHU-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
NC1(C[C@]23CCCC[C@@H]2C3)CCCCCCCC1	2074032896	HZVZBJYPTRGLAC-HZPDHXFCSA-N	249.442	4.789	0	10	BJAE	
C1CCCC(=C2CCNC3(CCCCC3)C2)CC1	2074132271	GTVLHXDIZQJJMX-UHFFFAOYSA-N	247.426	4.724	0	10	BJAE	
CC(C)CN(C[C@H]1CC=CCC1)c1ccccc1	2075168720	UZBCWCJNMWTIBP-INIZCTEOSA-N	243.394	4.505	0	10	BJAE	
CN[C@@H]1[C@H](C2=CCC(C)(C)CC2)CCCC1(C)C	2076396727	WUSRSKDTVVOWEH-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCCN(Cc1ccc(C)cc1)C1CCCCC1	2076588932	CKFJEWVOUXBFBJ-UHFFFAOYSA-N	245.410	4.540	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@@H]1C[C@H]1C1CCCCC1	2079426516	BLVYLQPQOHBRDP-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1cccc(CC(C)C)c1	2079473266	KALMYAGGTMYPKK-GDBMZVCRSA-N	244.378	4.504	0	10	BJAE	
CC1(C)CC(C(=O)[C@@H]2C[C@H]2C2CCCCCC2)C1	2079488625	VKXLGCXKJPKSEK-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079516994	YGLOLBYFRAKMCM-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](N)C[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079628899	PJZMPWFRETWJIK-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C)C=C[C@H]1C[C@@H]1C1CCCCCC1	2079703846	XFPJRTNLQNHANV-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
C[C@](N)(C[C@H]1C[C@@H]1C1CCCCCC1)C1CCC1	2079816878	AZBRSLBLWLFJSB-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2C[C@@H]2C2CCCC2)C(=O)C1	2079849755	AVOMSTGDXJBRJU-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C=C1CCC1)[C@@H]1CCC[C@H](CC)CC1	2080259500	JKBLHIDRTZWFEB-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@H](CC[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2210344728	QAPRZSZXJHHYJH-JONQDZQNSA-N	218.384	4.949	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](O)CC2CCCCC2)C1	2215388245	UPKJZJOZUYAVAU-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
Cc1csc(C(=O)CC2(C)CC3(CCC3)C2)c1	2215442151	MYDXOQXXYKJGMM-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@]1(C)CC=C(C)CC1	2215819501	WFASWWFBSNKVFI-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC(C)C)C(C)(C)CCC	2216286531	WAEJMRJHTXJSIA-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC1(C[C@H](N)C2C[C@H]3CCC[C@H](C2)C3)CCC1	2218346077	LIJLTHQABAQUEO-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCCCCCC1CC1)C1CC=CC1	2218721655	UMETWQBXSSFFEC-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCO[C@@H]1C[C@H](CC=Cc2ccccc2)C1(C)C	2219077717	FYIPGYJXVQFBGP-JKSUJKDBSA-N	244.378	4.541	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@H]1CC[C@H]1C	2220517441	BHQOVZPMTNUXSP-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CNCC(=CCCCCCCC2CC2)C1	2223133756	ZHQSBGGAEKTXQR-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
Cc1cc(O)cc(C)c1N[C@H](C)CCC(C)(C)C	2223332163	GMKKIRHIXFXVHL-CYBMUJFWSA-N	249.398	4.636	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)c1ccc(C2CCC2)cc1	2223699155	VUGJCICOQGCUEX-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@H](CC)CCC	2244786066	YVKVWEDURAOAST-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC(C)CNCCCCC[C@H]1CCC[C@@H](C)C1	2246727503	NNJRMALYSUBGMG-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)CN(C)CCCC[C@@H]1C[C@H]1C	2247175474	JKBZKRUJIWJLJG-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CCCC(CCC)C(=O)CCCC[C@H]1C[C@@H]1C	2247177762	YRDHZDLHVQHNKB-ZFWWWQNUSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H]1CCC12CCC2	2247443694	VZQDNZIIFQUHPO-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)[C@@H]1CC12CCC2	2248283840	RVLDQAGDXJGYEX-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1(CCC)CCC1)NC	2250358762	APXCVVQVRSYUQE-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1sccc1C(=O)C[C@@]12CCCC[C@@H]1CC2	2251154257	OJSHWHYJAIMHFE-DOMZBBRYSA-N	248.391	4.600	0	10	BJAE	
C[C@H](C(=O)C[C@]12CCCC[C@@H]1CC2)C(C)(C)C	2251210767	GWBFYVZSFZRZRY-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](O)CC1CC(CC(C)(C)C)C1	2251585260	UUBSGVSIACJOBM-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CC[C@@H]2CCCCC23CC3)C1	2253799926	FVYLAQLLSOOTCL-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC1CCC(NCC[C@@H]2CCCCC23CC3)CC1	2253895082	QQTMRASWYXLWDL-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H](N)C[C@@H]2CCCC23CC3)CCCCC1	2255227761	PKNZJZUAXSCLIT-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@]1(C)CC=CCC1	2257304936	DCFYSNSYQKNNJH-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
CC1CC2(C1)CC(C[C@H]1CCCC(C)(C)C1=O)C2	2259578805	WQDMJTFMOCDOCS-OPFKTAGGSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(OC[C@]23CCCC[C@H]2CC3)c1	2260577392	FIQLHSKDHRYSEV-DOTOQJQBSA-N	244.378	4.653	0	10	BJAE	
CC[C@H]1C[C@H]1CNc1cccc(C2CCCC2)c1	2260727645	RHXZUMAHIWXWNG-BBRMVZONSA-N	243.394	4.802	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H]1CCNc2ccc(F)cc21	2261348535	MUTNOIDAXBZERZ-JHJVBQTASA-N	247.357	4.551	0	10	BJAE	
CC1CC(CC[C@H](N)c2ccccc2C(C)C)C1	2261491605	RDQFLWXYCLTYDU-KVULBXGLSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCC[C@@H]1C[C@@H]1C)NCC	2298645909	CLWZLJVPZAMXLE-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C)(C(=O)[C@H](C)CC2CCC2)CC1	2298885289	LQMQKGFFKSORRB-MFOWVQHXSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCC2(CCC2)C1	2300704713	VLXLSBCAFVWARK-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(=CC[C@H]1CCC[C@@H](N)C1)CCCC(C)C	2300889443	VZWAUBSVJQVVPZ-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC=CC[C@@H](CC[C@H](C)CCCC)NCCC	2300898539	FRMSZVLPFBEIEZ-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H](C)[C@@H](C)C(C)C	2301838932	GCGSDCPZBPIKBD-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCCCCCc1cccc(OC(F)(F)F)c1	2302224456	GURVSJHKNOKPHF-UHFFFAOYSA-N	246.272	4.708	0	10	BJAE	
O[C@H]1C=C(CCCC2=CCCCC2)CCCC1	2302342911	OJWBSJFGYSGMLH-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)CCCC1=CCCCC1	2302361770	QYROSNIVZIQTKA-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)C1(CC[C@H]2CCCC[C@@H]2N)CCC1	2302660052	FDWWIVZBBNXGLD-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](CC)(CO)C[C@H]1CCC(C)(C)C1	2302722668	OWAONRJXGGEADS-GOEBONIOSA-N	240.431	4.782	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@H]1CC[C@@H]1C(C)(C)C	2303442730	MZONWHUYJJLZOY-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@H]1CC[C@H]1C(C)(C)C	2303490542	RFFMBSFSDOEMGU-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CC(C)CC(C)(C)NCC[C@@H]1CCC(C)(C)C1	2304359591	GZOCUBMAHMFDAH-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)CCCC2CC2)C1	2304437099	PHILXGMUCRTRNR-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](Nc1cccc(C(C)C)c1F)C(C)C	2307573479	GIYGWQILXCSTFC-CYBMUJFWSA-N	237.362	4.796	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)C1CCC(C)CC1	2307818040	WOEZXKWVQCXWCE-BHDPWAOGSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CC1(N)CCC(C2CC2)CC1	2307823388	QFWRWUKFRAODIJ-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@H](C[C@H](CC)CCC)C1CCC1	2307835798	SZYQICPARCRKSQ-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1CCCCCCC1	2307843181	KTQGAZPIIYAWIF-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCC[C@@H](NCC)C1	2307908249	OULUPBKOWVZHPB-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CC[C@@H]3C[C@@H]3C2)C1	2309163312	CYUDZTKWHVEYEA-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(C[C@@H]2C[C@H]2C2CCCCC2)C1	2311570102	CFRUNFHSFLDLJD-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)[C@@H](C)CC1CC1	2313657602	AXPKWHSUMXSVEE-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CCc1cc([C@H](NC)[C@@H](C)C(C)(C)C)ccc1C	2314691014	UCXTVFWDOGTSDF-CZUORRHYSA-N	247.426	4.500	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1ccc(F)cc1C1CC1	2317066637	HQSKTIIWYCYWKW-OAHLLOKOSA-N	249.373	4.529	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317158530	VAAOJTJPYLDFDY-KLHDSHLOSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1C=CCCCC1	2317914627	DVODJRDOOAVZIT-CQSZACIVSA-N	247.357	4.860	0	10	BJAE	
CC(C)c1ccc(F)cc1NCC1CC(C)(C)C1	2317922249	HGIBEFPDVBCUJW-UHFFFAOYSA-N	249.373	4.797	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)[C@H](C)[C@H](C)C(C)C	2317987247	WVECAPLUBLGWBQ-INMHGKMJSA-N	247.426	4.574	0	10	BJAE	
CC[C@H](NCCCC1=CCCCC1)[C@@H]1CC1(C)C	2318523983	JJWBXZMWOGTBQF-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H](C)N(CCCC2=CCCCC2)[C@H](C)C1	2318593153	QQUGFIBTQFXCOO-PHZGNYQRSA-N	249.442	4.776	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@@]12CCCC[C@@H]1CC2	2318871782	IBIGOKPUUZZTAP-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)C[C@@H](COc2c(C)cccc2C)CC1	2320387814	KJTBMRNWYUTRKR-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@H](CC1CC1)C1CC1	2320773848	YPAUFPMWPJYQOF-SJORKVTESA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@](C)(O)CCC2CC2)c1	2327704567	VWCPDXBCKZNCSQ-QGZVFWFLSA-N	246.394	4.516	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc([C@H]2C[C@H]2C)o1	2328278415	QDUDKSGSKDTVCW-RFGFWPKPSA-N	249.398	4.619	0	10	BJAE	
CCc1ccc(N[C@@H](CC)C[C@@H](C)CC)cc1	21008771	AMHDAOUKXGXTSY-ZFWWWQNUSA-N	233.399	4.876	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCc2ccccc21	21018370	DDCXFVBFYFCFPZ-YOEHRIQHSA-N	245.410	4.622	0	10	BJAE	
Cc1ccccc1[C@H](C)Nc1ccc(Cl)cc1	21518269	ARSHOARKRQOGHB-LBPRGKRZSA-N	245.753	4.822	0	10	BJAE	
C[C@@H]1C[C@H](NC2CCCCCC2)CC(C)(C)C1	21520781	DALLMKUMJHLUPS-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)Nc1cc(Cl)ccc1Cl	21808696	BZQASZQKSQMNQN-QMMMGPOBSA-N	232.154	4.594	0	10	BJAE	
CCCCc1ccc([C@H](NCC)[C@@H](C)CC)cc1	35548106	MAFVEYCSUAPNPI-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
c1csc(-c2ccccc2NC2CCCC2)c1	37075627	HSSZCMDRDGLKDG-UHFFFAOYSA-N	243.375	4.770	0	10	BJAE	
CCc1ccc(CNc2ccccc2C(C)C)o1	51721286	VWIISKCMGRNOKY-UHFFFAOYSA-N	243.350	4.578	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)CCCCCC1	71084808	RZZFPVYKPMMMIT-CQSZACIVSA-N	226.404	4.678	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](C)C(F)(F)F)cc1	75840433	FSGLWHYAVXBHIG-VHSXEESVSA-N	230.273	4.866	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C2CCCCCCC2)c1	86578821	GVEMMBJPDXHBSM-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCC1CCCCCC1	89560682	FRHWJXVEUVYXHD-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(CCCCC)Nn1cccc1	91783300	KDQWZIJFGACIGP-UHFFFAOYSA-N	236.403	4.561	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCS[C@@H]2C)cc1	94475454	DXHWTYJRPRNNJA-IUODEOHRSA-N	249.423	4.506	0	10	BJAE	
CC(C)c1cccc2c(Cl)cc(C3CC3)nc12	109692992	GGAWKEHICZNHKS-UHFFFAOYSA-N	245.753	4.889	0	10	BJAE	
CC[C@@H](C)C[C@H](N)C(CC)(CC)c1ccccc1	109747652	UWSRSLYWFKTZAS-ZBFHGGJFSA-N	247.426	4.508	0	10	BJAE	
CCc1ccc([C@H](CC)N[C@@H](C)[C@@H](C)CC)cc1	109927678	DCHKTTCLJGXAGN-ZQIUZPCESA-N	247.426	4.724	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@@H](C)C(C)(C)C)cc1	111654124	VOISAAOACHQINQ-CJNGLKHVSA-N	248.410	4.916	0	10	BJAE	
CCCCCC[C@H](NC)C1(CC)CCCC1	124818307	XGKUOJNNMRBGSY-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](c2nc(-c3ccccc3)cs2)C1	131833485	JLBQNIUMTVKVDU-DGCLKSJQSA-N	243.375	4.714	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C1CCCCCC1	133320094	MIZWTEPBANHEOQ-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H]1CC[C@H](C)C1	165895978	DTVFJEOVCJSBDM-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)n1ccc2c(Cl)cc(Cl)cc21	220780477	GHAUJYQRSGZSGN-UHFFFAOYSA-N	228.122	4.529	0	10	BJAE	
CCCC[C@H](NCCC)C1C[C@H](C)C[C@@H](C)C1	222192194	UFTSOWACUHBKRT-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)C[C@@H](C)C(C)(C)C)C1CCCCC1	225691190	YLDYKUISLWEBNB-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)c1ccc(C(C)(C)C)cc1	226524577	GRHTZZUEVBHROB-SWLSCSKDSA-N	244.378	4.603	0	10	BJAE	
CCCN[C@@H](CC)CC[C@H]1CCC[C@@H](CC)C1	227178449	JABDUTSNWJPPKG-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(O)ccc1-c1ccccc1C1CCC1	229656144	DDBBPBXEFCDUMO-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CCC12CCCCC2	230171044	OJLITVZISPOFMD-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@H](C)C2CCCCC2)C1	235391133	DQQITTCKAJQWPC-IMJJTQAJSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@@H](C)[C@H]1C	251376626	RCPYMEWUWPYWAG-LVQVYYBASA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCC(C)(C)C[C@H]1C	252033178	ZQNDYRHOSAAXET-LJISPDSOSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(CC)NCC1CCCCCCC1	300847356	LDCKHNORTUHVBG-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@H](C[C@@H](C)CC(C)C)C1	302443924	WRYBYPAVNLBINZ-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CSc1cc2ccc(S)c(Cl)c2s1	307214457	RQWRHCFVROJFRE-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Cc1sc2ccc(C(F)F)cc2c1Cl	307430225	WICRFRUOMTUSRR-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1ccsc1Cl	308351208	AZCMHHXTBSIYMA-SNVBAGLBSA-N	246.803	4.651	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCCCC12CCCC2	310212187	DMRBLLHGNQDSMG-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)CC1(CC)CCC1	311036027	DMCWWOFVANTQDI-HZPDHXFCSA-N	246.394	4.512	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(N)CCC[C@@H](C3CC3)C2)C1	380954231	QUECXFUWTTZTSW-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1(CC)CCC1	381598763	GJGKGJACPAIWGG-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCN[C@@H](CC(C)C)C[C@@H](C)C1CCCCC1	383963898	HYFIAVKSQICVFT-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1[C@H](O)C1(CC)CCCC1	384509284	SKFBRNXFXWRYPR-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
Cc1cscc1N[C@@H](c1ccccc1)C1CC1	387379388	YDNJEJNYDOBYAZ-HNNXBMFYSA-N	243.375	4.620	0	10	BJAE	
CCOc1cccc2sc(Cl)c(CC)c12	396184250	BFXVLTJIVXSJQN-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1cc2c(C)ccc(C(F)F)c2s1	396235112	FHZDKHSAZPIVSN-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1cc2ccsc2c(C)c1C(F)(F)F	396299594	HBGIYQKPDDWOBP-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@H](C)C(C)(C)C	399304936	KEOPZUIHUPGBSW-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1CC=CCC1)NCCC	402313340	JPCQGTXZQUIETR-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)[C@@H](N)C1CC(C)(C)CC(C)(C)C1	688345636	LVMLCWXENHJSSS-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC(N[C@@H](C)CC2CCCC2)CC1	689804405	DEGATZQAMOAPDX-HLIUYOAVSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)Nc1cccc(C2CCC2)c1	690112921	YZHQRAQIXWARRW-GFCCVEGCSA-N	217.356	4.555	0	10	BJAE	
c1cc(C2CC2)ccc1NCCC1CCCC1	690120958	UTQXCAVRWLMBMO-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC(C)(C)NCC/C=C/C[C@H]1CC2CCC1CC2	691698900	HYKGAUUXAISFDX-MKHQPZQGSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)CC(C)(C)CC	696195010	LHALDPHKHOHUAE-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1cccc(C)c1C	696576222	YERBPEXWBSLAPF-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
CC[C@H](NCCCC1CCC1)c1cccc(C)c1	701564543	VDSWVQIFBDDEHP-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
Cc1cc(C)c([C@@H](O)[C@H](C)CC(C)(C)C)cc1C	704674320	WGKHSALCQVNIAF-ZBFHGGJFSA-N	248.410	4.718	0	10	BJAE	
C[C@H]1C[C@](N)(CCCC(C)(C)C)c2ccccc21	707763146	RYEQBXJGQOTVCC-SUMWQHHRSA-N	245.410	4.564	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)CCC(C)(C)C1CC1	708318830	IYRFJHBKWOJGJM-JSGCOSHPSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@@H](N)C1(C)CCCCC1)CC(C)(C)C	709099836	CYDKKBGFIOHLEI-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CC(C)(C)C)C1CC1	709107850	ZEVJKYWVZCBIQH-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)NCC1(C[C@@H](C)CC(C)(C)C)CCC1	709108941	UUVKZQIRWIAVDH-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@H](C)[C@]23CCCC[C@H]2C3)ccc1F	709121918	BIPPWNCVKKSRIA-DVOMOZLQSA-N	247.357	4.515	0	10	BJAE	
CC(C)NCC1(C[C@H](C)C(C)(C)C)CCCC1	711160431	TYLQRLJNMHLNBV-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCCCc1ccc(NC[C@@]2(C)C[C@H]2C)cc1	714659150	LHCWUWRNPIGACQ-RHSMWYFYSA-N	245.410	4.877	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2CCC(C)(C)CC2=O)C1	717530910	HEUUYEUPOLLMOW-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@H]1NC1CCCCCC1	717531901	YPFUCQOXRGCWOE-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CSc1ccccc1NCCC(C)=C(C)C	718625776	ZHEKSRMQDGJSJD-UHFFFAOYSA-N	235.396	4.567	0	10	BJAE	
C[C@@H](N[C@@H](C1CCCCC1)C1CC1)C1CCCC1	723981709	KUHCODWUOUIPEQ-DYVFJYSZSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)[C@H](C)SCC1CCCCC1	1188675733	CKGOFGXFZTVECW-NEPJUHHUSA-N	214.418	4.735	0	10	BJAE	
C[C@@H]1CCC[C@H](CCSC2CCCC2)C1	1307252561	GVCHDNCJDGURJW-CHWSQXEVSA-N	226.429	4.879	0	10	BJAE	
Cc1ccc(N(C)CC[C@@H]2CCC[C@H](C)C2)cc1	1473140922	XMIUVOXDBSNWFK-HOTGVXAUSA-N	245.410	4.648	0	10	BJAE	
C=C/C=C/CCSc1ccc2c(c1)CCCC2	1644018690	WEBMSKDEKCRAPL-ONEGZZNKSA-N	244.403	4.790	0	10	BJAE	
CCC[C@@H](C)CC(C)=CCCNC(C)(C)C	1884964006	PEAIISRFLXANCE-CYBMUJFWSA-N	225.420	4.537	0	10	BJAE	
C=C=CCCCc1cc(Cl)ccc1Cl	1885703564	MMGDZTLSXUGQCK-UHFFFAOYSA-N	227.134	4.657	0	10	BJAE	
CCC(CC)C(=O)CCCC1=CCCCC1	1901969708	BVHKZSFUOKZQRC-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
C[C@H]1CCCC[C@H]1c1nc([C@H]2C[C@H]2C)cs1	1905256062	FGUXZSNLWQTZLJ-QCNOEVLYSA-N	235.396	4.560	0	10	BJAE	
CCCNCCC(C)(C)C[C@H](CC)CCC	1905361687	OSPJNCZODZBIAA-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CC(C)(C)C(C)C	1907595368	XRCPEUVZDDRNTE-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@@H]1C[C@H]1C(C)(C)C	1910699459	CHQJAIXTWILURW-ZENOOKHLSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@H]1C[C@H]1C(C)(C)C	1910716381	AFRNIUITMRMJIL-BYNSBNAKSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@](N)(CCC)C1CCCC1	1910820478	HRMDQOZTNUMLDK-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C2CC3(CCCC3)C2)CC[C@H]1C	1912615910	IAXAVMVVRRXTSH-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C1CC2(CCCCC2)C1	1912625090	LUWHOPYZWRROPY-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H](C)CN[C@H]1CCC2(CCCCC2)C1	1915879980	LEHBAVJTYMAIJK-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(CC)[C@@](C)(O)c1ccc(C(C)(C)C)cc1	1919629427	GKXHMTJUKBVTDM-QGZVFWFLSA-N	248.410	4.628	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H]1CCCC1(F)F	1919944600	SPPDDLQYUAWVMF-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@](C)(N)CC1[C@@H]2CCCC[C@@H]12	1920198066	QGKPYIGRQDQIOK-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCCc1ccccc1	1920206297	LRVDQURXGKAIGF-RDJZCZTQSA-N	247.426	4.553	0	10	BJAE	
C[C@@H]1C[C@H]1C1(N)CCCCCCCCCCC1	1920488509	FYKBUAFLVVDMJN-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
C1=C[C@H](Cc2cccc3ncccc23)CCCC1	1925829211	DOCBYHZKYATJFT-AWEZNQCLSA-N	237.346	4.524	0	10	BJAE	
CCCNCCC(C)(C)C[C@@H]1C=CCCCC1	1925893479	UKTZDPIHDCUVQP-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@H]1C=CCCCC1	1925923755	GHSIWSBRBXKUOH-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C(=O)C1CCCCCC1)C(C)C	1936205798	DRELZSQOQPFUIV-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C[C@@H](N)c1cscc1C)C(C)(C)C	1938828634	YAIMCLVFFLTPTM-DGCLKSJQSA-N	239.428	4.519	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)CC1(C)CCCCC1	1940416036	PLZJVGWZZAKNII-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C(=O)C1CCCCCC1)C(C)C	1941264208	JQKQXAFOWYHELR-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)C1CCC(CC)CC1	1941266022	YZSZPYGRXGSGCT-SSHXOBKSSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@@H](CC)C(C)C	1941272975	OBDOOARVDOPDLZ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](NCC(C)(CC)CC)c1ccccc1	1941349044	BOYMHNZLGDGXED-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CCCCCC1(C)C	1942651819	ATDGUXBMHWHLGB-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)C(C)(C)C(C)C	1944668117	KHBKMURBTSAXRK-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
Cc1ccc(C[C@@H]2C=CCC2)c2ccccc12	1947551930	KBPLIXKWZHAVQW-CQSZACIVSA-N	222.331	4.657	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C[C@H]1C=CCCC1	1947592574	KYZONSOWLAJNGQ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC([C@@](C)(O)[C@H](C)CC(C)C)CC1	1948333275	RHJWWGVGHTZSOA-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CCCC(C)(C)C	1948984000	PQYYDBHXSSVKDG-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
C=CC=CCC[C@]1(N)CCC[C@@H](CCC)CC1	1949010021	GRKOICQGVRJFDO-CVEARBPZSA-N	235.415	4.587	0	10	BJAE	
CCC(C)(C)C[C@]1(N)C[C@@H](C)CCC1=C(C)C	1949010376	BWDVPLXPHHXNOP-XJKSGUPXSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@@H](N)c1cccc(C(C)C)c1	1949016557	LTWBRFPKFGMMQE-MRXNPFEDSA-N	233.399	4.636	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CCC1=CCCCC1	1949041865	UFUUQHIIUXJCIX-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)[C@H](C)CCC(C)C)C1	1949080360	NZQBXHDCAVSDRV-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
O[C@@H](CCCC1CCCC1)CC1CCCCC1	1949926245	KAPFNHVUHZOEOH-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2CCCC(C)(C)CC2)C1	1950915065	WWLFRWKBHPWRPO-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@]1(C(C)C)CCCC(C)(C)CC1	1950920468	VVTQDNUOSLRURN-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C1CCCC(CNC2CC[C@H]3C[C@@H]3CC2)CCC1	1966012647	VVJZSHSCVIHQKL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCN1CC=CCC12CCCCC2	1966511044	DQBKXABLOYXASO-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@H]2CCCC[C@@H]21	1967700407	XSNQKCGECFBQSC-VVLHAWIVSA-N	249.442	4.680	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@@H]2CC(C)C)cc1C	1968254491	IFRFEABXAXYAAP-ZBFHGGJFSA-N	231.383	4.540	0	10	BJAE	
Cc1ccc(NCC2CCC3(CC2)CC3)cc1C	1968254635	KFZHNEOIPJDAOU-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CCOc1cc(C)ccc1NCCC(C)(C)CC	1968762122	OEWOXWSADLQUSV-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC2(C3CC3)CCCC2)C1	1970876283	GKDQBQUJGGEVGY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@@](C)(N)C1(C)CCCCC1	1975576398	XCEUINIUAJNZQZ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCCCCC(=O)[C@H]1C(C)=CCC[C@@H]1C	1978510213	LWCQXWCODWKEST-ZFWWWQNUSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCCCCC[C@H]1O	1980350686	IKKIPNLFZWUSMT-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)CC(=O)C1(C)CCC(C)(C)CC1	1983315008	VTYGOLHYDQAFOC-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1cc(C)c(C)s1	1989984368	NSGURKXNXGQWLM-TZMCWYRMSA-N	240.412	4.615	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1cc(C)c(C)s1	1989985459	WKSRICUZUKZXLX-CQSZACIVSA-N	240.412	4.615	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C1CC(CC)C1	1995204769	REHUBFZWSPEFHH-IYXRBSQSSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CCC=C(C)C	1995260607	XFMHEPMOXKHIRD-GJZGRUSLSA-N	226.404	4.700	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC1(C)CCC1	1995263110	QMKDMHVSEKMTBE-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](N[C@H](C)C1(C)CCCCC1)C1CC1	1995985075	GFEURFMXQUNYCS-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C(=O)C[C@@H](CC)CC(F)F)CCC1	2000195443	SKEJAQVEIKTWOC-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@@H](C)CC(C)C	2000381430	FCYHYFRNKNZKRT-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CC12CCCC2)C(C)(C)C	2001250091	JKWFMQBOFRLASW-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCCCC[C@@H]1NCC	2003097306	FMLHPRLTVQKNJW-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1CCC2(CC2)C1	2003286652	YTVRWIAVMGOWIR-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@]1(C)C=CCCC1	2003329025	HXQXOMPLIJBEMO-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1CC(C)(CC)C1	2004223877	ALTXHPWVYLKQAP-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](NCC1(C)CCCCCCC1)C1CC1	2004937828	VKHKLBHVJHFDRE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@@H](CCCC(C)C)C1	2006623040	GZZKDYQBXMMHJM-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)C=C1CCCCC1	2007918700	AFDJBXURJMOZHC-JKSUJKDBSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC)CC1=CC[C@H](C(C)C)CC1	2010761726	GVQJVENFXFCXSN-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@](CN)(C[C@@H]1CCC=CCCC1)C(C)C	2012432905	KFHYCDMEVWRCNN-HZPDHXFCSA-N	237.431	4.524	0	10	BJAE	
CC1(CC2(O)CC(C(C)(C)C)C2)CCCCC1	2014657162	SGKPRQGYHWWCTO-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)[C@H]1CCC1(C)C	2014936798	GULDLAPQTHBEMX-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H](C)C(C)C)CC1	2015388472	VRGBAZPYCJQURS-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@@H](C)CC(C)(C)C	2016118133	VSNIVGDPMZOQKV-GOEBONIOSA-N	239.447	4.913	0	10	BJAE	
CC(C)=C(F)CNc1cccc(C2CCC2)c1	2017461994	SRASSIFUXGAVGN-UHFFFAOYSA-N	233.330	4.629	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC[C@H](O)C2)CC1	2017713286	AGASYOQVPWLTMW-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](C)(CN)CC1CCC(CC)CC1	2017730177	FAOBZJHKWGZNSO-UYSNPLJNSA-N	239.447	4.748	0	10	BJAE	
CCCC1(C[C@]2(O)C[C@H](C)CC(C)(C)C2)CC1	2018977149	YRJJNBHGOXHMFM-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1(CCC)CC1)NC	2019000235	PGDQYYLZCCRIGW-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC(C)(C)[C@H]1N	2020358784	LOXOCWXFTJKHOE-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H]1[C@@H](CC(CC)CC)CCCC1(C)C	2020361454	PVHUZINUTVBNIN-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1(CCC)CCC1	2020973212	CZHVHXMEGIRAFH-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](CSc2ccc(N)cc2)C1	2024102442	SLNNEVUSHKIIMD-GFCCVEGCSA-N	249.423	4.577	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1C[C@H]2CCC[C@H]1C2	2026243938	QAQRVCQFWMFROM-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)c1ccc(C)c(C)c1	2027736973	PTDZQFXSMBQSHS-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
Cc1c(F)cccc1C(=O)CCC[C@H]1CC1(C)C	2027854822	ITWXQZZBUONLDA-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CC(C)Cc1ccccc1[C@@H](N)[C@H](C)CC(C)C	2028917082	AKGYXBVGGHAZDK-PBHICJAKSA-N	247.426	4.567	0	10	BJAE	
CCC[C@](N)(CC)c1ccc(C2CCCC2)cc1	2031752699	QRWYQGHHZKLSCO-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
C[C@@H]1CN[C@H](C)CC1=C1CCC(C(C)(C)C)CC1	2031999326	HGLJLKAZSHVQMC-HCYNLOQUSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(C[C@@H]2C[C@@H]3CCCC[C@@H]3C2=O)CC1	2034265064	TZVQOFOESMOBQX-NEADZQPHSA-N	248.410	4.598	0	10	BJAE	
C1=C[C@H](CC[C@@H]2CCOc3ccccc32)CCC1	2035555027	JZVMWPCOHLHQNW-LSDHHAIUSA-N	242.362	4.689	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1CC12CCCC2	2036092831	DKZXBUPYXIQQJV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](CC2CC3(CC3)C2)Nc2ccccc21	2036724469	MVZGUMYYTYJKIO-JSGCOSHPSA-N	241.378	4.555	0	10	BJAE	
CCC1(C[C@@]2(N)CCCCC23CCCC3)CCC1	2037103338	ACHHFXWADHSZRD-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC(C)CCC[C@H](N)CC(C)(C)c1ccccc1	2037169721	XHOFUKPCKYRZEQ-INIZCTEOSA-N	247.426	4.508	0	10	BJAE	
N[C@@]1(C2CCCCC2)CCCC2(CCCCC2)C1	2040762953	KGFGIILNZSFFHB-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CC)[C@]1(C)CC=CCC1	2042018418	FGOMDOMZDSVLKQ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CC(C)(C)C1)[C@]1(C)CC=CCC1	2042024756	OVSMNFFVVSRCIL-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042346421	ZWPRIEMVGURJIR-LVQVYYBASA-N	249.442	4.536	0	10	BJAE	
CC[C@H]1CCCCN(C[C@@H]2CCC=CCCC2)C1	2045304145	BLKKDSABYPMHQL-DLBZAZTESA-N	249.442	4.635	0	10	BJAE	
CCCC1CC([C@@H](N)C[C@H]2CC23CCCCC3)C1	2047009180	PSNLXLNAPARCSO-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](C)Nc2cccc(F)c2)CC1	2049416846	BVPFWCAUTHHYQJ-IYXRBSQSSA-N	249.373	4.843	0	10	BJAE	
CC(C)C1CCC([C@@H](C)N[C@H]2C=CCCC2)CC1	2049417993	MRTLXWZRBPYOKG-VXLLPVPCSA-N	249.442	4.536	0	10	BJAE	
C[C@H](NCC1=CCCCC1)[C@@H]1CCCC(C)(C)C1	2049544372	SNJLMQNJZHVQGJ-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C(=O)C[C@@H]2CCCC3(CC3)C2)CC1	2049950448	HJSRXQOEXYWMRV-SLTAFYQDSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC1CC2(CCC2)C1	2051402244	PPWMDYFAGBLSBQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CCC(N)(C2[C@H]3CCCCC[C@H]23)CC1	2051602690	RLQMUXFRLMFAPS-JCAIJIATSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccncc1NCC1CCCCCC1	2053854848	XYSCTXMUNJNFOY-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cnccc1C(C)C	2053854863	YDCQATUFDYEVLB-KBPBESRZSA-N	248.414	4.832	0	10	BJAE	
CC1CCC(C)([C@H](N)CC2CC3(CCC3)C2)CC1	2056557504	VGXBESHFXHXNLI-OGVSOVDVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C1CCCCCC1	2056877969	GAKXRHNSHFKHJT-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC=CCCC[C@H](NCCC)c1cccc(F)c1	2059225757	QNRNWTZTHNXQCE-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2059254632	AMIXFCWDWBUWBI-MEXOCTMJSA-N	249.442	4.667	0	10	BJAE	
CCCCCC1CC(N)([C@H]2[C@H]3CCCCC[C@H]32)C1	2059491141	DPZSQKUOXPJSFR-JSGMBBGDSA-N	249.442	4.501	0	10	BJAE	
CCc1c(Cl)cc(SC)cc1C(F)F	2060053543	BYSUBWVGFFQXBP-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](NC)C1=CC[C@@H](C)CC1	2060924950	HUJCBTLRRQBIEN-JHNDHUHGSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(C(C)(C)C)CCCN2)CC1	2061090170	YRRKTQYRMYHMIO-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063423555	LITOMGBVYHRPSF-ZSOGYDGISA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(OC[C@H]2C[C@@H]3CCC[C@@H]3C2)cc1C	2063532538	WLWKNMUUQOVCNH-PHZGNYQRSA-N	244.378	4.509	0	10	BJAE	
CC1(C)CC2(CC([C@](C)(N)CC3CCCC3)C2)C1	2063804843	VRDFCHAISRNQFO-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@H]1CCC1(C)C	2068232425	GBZJKRJOCZOPHT-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)C[C@@H]1CCCC2(CC2)C1	2068270594	AFDUMVAGJWHUAB-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)C[C@@H]2CCC[C@@H]3C[C@H]23)CCC1	2069340377	UJPCTHNAQUBMMC-ZJIFWQFVSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(CN[C@H]2CCCC23CCCC3)CCC1	2071924056	MMXOOMWLMRSZJX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C1CCCC([C@@H]2CCCN2CCCC2CC2)CC1	2071958212	JOKMSLZQDYNCEQ-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@@H](CC)c1ccccc1	2072418534	UDLZSOORLKJLDL-IRXDYDNUSA-N	245.410	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)[C@@H]2CC=CCC2)CC1	2072793698	MPRYVJHUQOOOJN-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@H](CC)CN1CCC2=C(CCCC2)C1	2074910215	ZUPXTYQVNPFURA-OAHLLOKOSA-N	249.442	4.779	0	10	BJAE	
C[C@H](CCC1CC1)N(C)[C@H]1CCC12CCCCC2	2075007218	UHBPDGAHAKQPIS-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CN(C[C@H]1CCCC(C)(C)C1)[C@@H]1C=CCCCC1	2075406251	YKQXUUIMTFWIFG-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
O[C@]1(CCC2=CCCCC2)CCCC12CCCC2	2075719222	ZEQLHLYSALMWQA-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](NCC(F)=C(C)C)c1ccccc1	2076364210	RBTVNTXWRWQTER-MRXNPFEDSA-N	249.373	4.771	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CC(=C3CCC3)C2)C1=O	2076444016	UGJNVJOCSREKEA-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@H]2C[C@H]3CC[C@H]2C3)c1	2077264276	OBJJAZKVGSSNTL-JDFRZJQESA-N	241.378	4.555	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1C[C@@H]1C1CCCC1	2079432476	SUHJCMCDWHMIQD-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2C[C@H]2C2CCC2)CC1	2079440782	CSZXNNZMOZHBOZ-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CNc1ccc2ccccc2c1	2079496258	JIDCVXKWSVORJM-DOTOQJQBSA-N	239.362	4.544	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1C[C@H]1C(C)(C)C	2079811830	GLFOXINUMKYWLL-UKRRQHHQSA-N	246.394	4.871	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cc(C)cc(C)c1C	2082949926	CTBGAJDERSEUAB-UHFFFAOYSA-N	244.378	4.931	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)[C@@]2(C)CC2(C)C)c1	2083546672	SEZAKGPULXBXEM-QGZVFWFLSA-N	244.378	4.603	0	10	BJAE	
CCCC[C@@H](C)CCc1nc2ccc(C)cc2[nH]1	2085921764	GJZOGBRXEPGAHF-GFCCVEGCSA-N	244.382	4.630	0	10	BJAE	
COc1cccc2c(C3CCCCCC3)coc12	2086724642	WVRCCWVXMQBNMU-UHFFFAOYSA-N	244.334	4.879	0	10	BJAE	
Cc1cccc(Cn2c(C)cc3ccccc32)c1C	2138352207	TYCMEXQPURXDRH-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)CN[C@@H](C)CC	2212598621	XVMRSHZJRYGYGR-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC(C(=O)CCCCC2CC2)C[C@@H](C)C1	2214553260	RNHVYNDFYYLXQS-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
O[C@@H]1CCCC[C@H]1CCCCCCCC1CC1	2216877720	PIMVDIFZVCADMD-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CCCC1([C@H](N)CC2C[C@H]3CCC[C@H](C2)C3)CC1	2218351850	ZYKVZMYSTMRVJV-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCCC1)NC1CCC(C2CC2)CC1	2218894542	KKKWSBKZNKGTDX-NVPAJSRCSA-N	249.442	4.514	0	10	BJAE	
CCC1(C(=O)CC=Cc2ccccc2)CCCC1	2219082586	OGIHJSBXSDMRPM-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
CC(C)=CC[C@H]1CCCN(CCCCC2CC2)C1	2220018080	KXGJALPMQSLOCW-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
N[C@H](CC[C@H]1C[C@@H]1C1CCCC1)C1CCCCC1	2220289327	WCIHIOHBTWRFBO-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C2C[C@H](C)CN[C@H]2C)CC1	2220374081	CHXZZALLABCTGT-FXQLRMTLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]([C@@H]1CC[C@@H](C)C1)[C@]1(C)CC=C(C)CC1	2221633414	UMLIKOLHXSSFNW-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2CC[C@H](C(C)C)C2)CC1	2221645853	NJFLKCOVRMAONZ-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC1(C2(NCCCCCCCC3CC3)CC2)CC1	2223172411	YJFHAFABFLOTPK-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCCC[C@H](O)CCCCC[C@H]1C[C@@H]1C	2243912339	BOEDVXCSVZJMHY-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](N)c1ccc(C2CCC2)s1	2244720027	DRWSXXBNSZCQIX-GFCCVEGCSA-N	237.412	4.596	0	10	BJAE	
C[C@H]([C@H](N)CC[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2246665694	LFYACRMUXXEJOU-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CCCC1([C@H](N)CC[C@@H]2CCC[C@H](C)C2)CC1	2246728726	TYHZSUHSDBFNHL-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCCC23CC3)sc1C	2247665114	MFYBZKGZEZMFDS-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCC(C)(CC)[C@H](O)CCCCC[C@@H]1C[C@H]1C	2248816312	RYZANNXCIXYMBY-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1(O)CCCCCC1	2248874717	YFTDIAYNOVZSBA-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
O=C(c1ccc(C2CCC2)s1)C1CCCCC1	2250278024	FFTUCIXZFYUMCP-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCN[C@H](C)C1	2250478059	DXEDRKDXSPOROG-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CN)[C@@H](F)CC[C@H](C)CCCC(C)C	2250530425	UIZMGWQHUZVOMU-KFWWJZLASA-N	245.426	4.552	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@]12CCC[C@@H]1CC2	2251100855	SJHBIYBJKCCLTK-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@]12CCC[C@@H]1CC2	2251203767	MLJFJMUKAUUVPZ-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251697994	QDJPZUJNFOQROG-JLVOYYQZSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CC[C@H](CCCCCCC2CC2)[C@H]1O	2251708546	RQXDWFWURODFOZ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)CCC1CC(C)C1	2251753789	UNZGQMVCZGFQIY-AVVWSFFYSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)C[C@H]3CC[C@H](C3)C2)C1	2253997860	SDIPJJUFXWGRAL-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1NC1CC2(CC(C)C2)C1	2254150905	ZAWVQNKTGACURB-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
Cc1ccc2c(ccn2C[C@H]2CCC23CCC3)c1	2254975718	JVWPETWIWGXYHE-OAHLLOKOSA-N	239.362	4.530	0	10	BJAE	
COC(C)(C)c1ccc(CC2=CCCCC2)cc1	2255126638	MAVRTXUGNZOGCD-UHFFFAOYSA-N	244.378	4.611	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCCC23CC3)cc1F	2255333572	SRYJLEBUNQPDEI-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CC(C)(C)C1(C[C@@](C)(N)[C@H]2CC23CCC3)CCC1	2256460119	VFWRCXNTMGMBQM-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2CCC23CCCC3)cc(C)c1C	2258235431	BJFCQOHSMOPADO-MRXNPFEDSA-N	243.394	4.747	0	10	BJAE	
CCC1CCC(CN[C@]23CCCC[C@@H]2CC3)CC1	2260531563	AWOVCDYFSOYLOW-BACDZXNISA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(NC[C@]23CCC[C@H]2CC3)CC1	2260537072	KGWMFDISPBHRPM-ODZFXCKXSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@]12CCC[C@@H]1CC2	2260607418	RSLCQVRNCWVLIF-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(C[C@]12CCC[C@H]1CC2)C1CCCCC1	2260658501	PPCYKCSDQJKRIT-UAGQMJEPSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](C[C@@]23CCC[C@@H]2C3)C1=O	2261448818	IBMZUVSHUCLTJK-XNJGSVPQSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@@H]1CCC[C@H]1C	2297876992	SOMHMVOWOWDFJB-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1C[C@@H]1CNc1cc(C2CC2)ccc1Cl	2300668865	BTHMBWGUHYNELA-ZWNOBZJWSA-N	249.785	4.675	0	10	BJAE	
Clc1ccc(C2CC2)cc1NC1CCCCC1	2300693316	RTXRMDTXKUXBIT-UHFFFAOYSA-N	249.785	4.962	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CCC[C@H]1CC2)c1cccs1	2301141139	WDPJNUZKHHJNKL-RWMBFGLXSA-N	248.391	4.537	0	10	BJAE	
CC[C@H](CNCC(C)C)CC1CCCCCC1	2301188174	IYIAYAPMSSFZLO-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC1([C@H](O)CC2CCCCCC2)CC1	2301203405	BQKCFQDDQNJHKD-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](N)[C@@H](CC2CCCCCC2)CC1	2301245222	UKHBYIBVXCRLBK-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)NCCCC1CCCCC1	2301687959	GKIGCMUOJUTHMD-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N[C@H](C)CC1CCCCC1	2301714454	OHOCLXOCEQMIFW-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@]1(N)CCCC(C)(C)CC1	2301844054	NNUKPKQJIBYJQL-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H](C)[C@@H](C)C(C)C	2301867612	SRVKYKHLRQJIOI-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(O)[C@H](C)C(C)C)CC1	2301919245	MUGIKRZAKHETBE-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@](C)(N)CCCC1=CCCCC1	2302343493	WFBUBJUZKVXPIV-INIZCTEOSA-N	237.431	4.955	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)c2ccsc2C)CC1	2303526619	YYBIVUBYRJGQMQ-UKRRQHHQSA-N	249.423	4.583	0	10	BJAE	
CCC[C@@H](CCC[C@@H]1CCC(C)=C(C)C1)NC	2303574824	DASGEFWBVHNDCE-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)[C@H](C)NCC[C@H]1CCC(C)(C)C1	2304362533	VZLUWDVXJKFRIO-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC[C@H](C2CC2)C1	2307822275	HQTIZPLXRGJHLT-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H](C)C1CCCCC1	2307895816	RYDATZHEWVVRRI-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@H]1CCC[C@H](C)C1	2307909925	MDXLIDXZXLNACY-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1CC2(C1)CC2(C)C	2307910047	MLAHGECQRJQZNU-VEAWUBTESA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	2308401390	VPZKTSBSDOHEGK-ZHCJQAHYSA-N	249.442	4.514	0	10	BJAE	
CC1([C@H](N)C[C@H]2CC[C@@H]3C[C@@H]32)CCCCCCC1	2310911001	IAYHBGQZFZNJJK-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@@H]1C)[C@]1(C)CC=C(C)CC1	2312521339	SLMIQYZETFQMPK-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(C(=O)c2ccc(C)c(CC)c2)C1	2314710550	FJXGJGYOWBJHPB-UHFFFAOYSA-N	244.378	4.566	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC=C(C)C2CC2)CC1	2315265241	VTKRULBKYPRMPS-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC[C@](C)(O)c1cc(C)cc(C)c1	2316242664	HBDDMWGAIQPJEU-KRWDZBQOSA-N	248.410	4.727	0	10	BJAE	
CCC(CC)CCC1(O)CC(c2ccccc2)C1	2316245778	MLBNQMJDYOVPJA-UHFFFAOYSA-N	246.394	4.512	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316748276	YORPIDVTTDWKQL-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc(C(=O)[C@H]2CC(C)(C)[C@@H]2C)cc1	2318183013	OGCLJWAOMQCOSO-DOMZBBRYSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1[C@@H](N)CCCC1=CCCCC1	2318566238	VPJYNBXFWGQFDK-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1C[C@@H]1CN(C)CCCC1=CCCCC1	2318578897	CQPMNRQCGXVWAP-DLBZAZTESA-N	249.442	4.635	0	10	BJAE	
CCCNCC1(CCCC2=CCCCC2)CCC1	2318582858	IOXAQJHWCVTDHC-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CC(C)c1cccc([C@H](O)CCC[C@H]2C[C@@H]2C)c1	2318927567	JAERIYJCIAJIHI-JLJPHGGASA-N	246.394	4.670	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CCNC3(CCCC3)C2)C1	2319321400	VHZLPWMINTXQDT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@@H]2C2CC2)C1	2319581615	QWLUJDVFKQJSHZ-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C[C@@H]1CC12CCCC2	2320156769	WZUXWDIDJGFZKH-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CNC[C@]1([C@@H]2CCC[C@H](C)C2)CCC=CCCC1	2326700852	BIWWLDBEJIYYDA-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCNCCC=C(C)c1cc(C)ccc1C(C)C	2327783396	BOLOGGZEZMKVRK-UHFFFAOYSA-N	245.410	4.521	0	10	BJAE	
CC(C)C[C@@H](C)Nc1ccc(C(C)C)cc1	19993841	PGFQZEWJSIZAQV-CYBMUJFWSA-N	219.372	4.657	0	10	BJAE	
CCC(C)(C)C1CCC(N[C@@H](C)C(C)C)CC1	20306187	NQOIAXFEBFNQOK-NFOMZHRRSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(N[C@H](C)c2ccccc2C)cc1F	21012207	MTWKXMZMHXRTCM-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2C[C@@H]2C)c(C(C)C)c1	37357242	JBRRJHUZHJDQQE-BLLLJJGKSA-N	244.378	4.772	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)[C@H](C)[C@H](C)CC2	49829111	BGROVPPRKQTWNV-NXEZZACHSA-N	237.774	4.544	0	10	BJAE	
CC1=C[C@H]2C(=C(C)CC[C@H]2C(C)C)CC1	59193058	FUCYIEXQVQJBKY-DZGCQCFKSA-N	204.357	4.725	0	10	BJAE	endogenous,in-man
CC(C)c1ccc([C@H](C)NC[C@H](C)C(C)C)cc1	81044573	XHQARQAQSCWTBP-GJZGRUSLSA-N	247.426	4.753	0	10	BJAE	
CCC1CCC([C@]2(N)CCCC(C)(C)C2)CC1	85078596	NPJBZCJGKYOPQY-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CCC[C@@H](C)C2)CC1	85078800	SYUZYWMMZDFRKC-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Oc2ccc(Cl)cc2)C1	85150275	AGUBXDZYMSZYRD-BXUZGUMPSA-N	238.758	4.688	0	10	BJAE	
C[C@H]1CC[C@@H](Oc2cccc(Cl)c2)C[C@@H]1C	85150635	KFQATFYKUBJJBY-COPLHBTASA-N	238.758	4.544	0	10	BJAE	
CCCC[C@H](CC)C/C(C)=C/CCNCC	86572473	GTDKZZMPCMRJRC-IPJDOKCGSA-N	225.420	4.539	0	10	BJAE	
CCC1CCC([C@H]2CCc3ccccc3N2)CC1	86668925	FDGWTHASMTZZPY-PUJMQQBBSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H](C)c1ccc(CCC(C)(C)CCN)cc1	87729289	VLRJHOWLICWDCJ-CQSZACIVSA-N	247.426	4.508	0	10	BJAE	
CCCc1ccc([C@@H](C)Nc2ccsc2)cc1	90866309	NGAQZYFVBFCUHW-GFCCVEGCSA-N	245.391	4.874	0	10	BJAE	
Cc1cc([C@H](C)N[C@@H]2CCCCC2(C)C)c(C)o1	94279211	ISCLIHZFAYVLBD-SWLSCSKDSA-N	249.398	4.516	0	10	BJAE	
C/C=C\[C@H](C)Cc1cc(C)c(C)cc1Cl	107565707	QYQYJAQTPMJANY-OMMCCPJFSA-N	222.759	4.712	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1CCC(C)(C)C	112869696	DJMZKEBMZYLPHB-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
Cc1csc(CNc2ccc(C(C)C)cc2)c1	114716910	RIRRIEPRQRIWSA-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
C[C@@H](NC1CC(C)(C)CC(C)(C)C1)c1ccoc1	125458622	LEKIZXUZGDSPFD-GFCCVEGCSA-N	249.398	4.535	0	10	BJAE	
CC[C@H](C)CC(=O)c1cccc(C2CCC2)c1	128764745	VABPIJDPURSJSW-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CC[C@H](Sc1ccccc1)c1sccc1N	138667958	KHTONIVDAFSLEW-LBPRGKRZSA-N	249.404	4.574	0	10	BJAE	
CC(C)[C@H](OCc1ccccc1)c1ccccc1	146945087	IJSZTHILIXXEJK-KRWDZBQOSA-N	240.346	4.601	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@H](C)C2CCCC2)CC1	149606456	RCUBPQOYCUYDCC-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)C[C@](C)(CNCC(C)C)C(C)C	164428080	IUUREWNIJTUHKK-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)c1c(C)cc(C)cc1C	167266790	ZUIYRLARNHOIQI-BLLLJJGKSA-N	247.426	4.699	0	10	BJAE	
C[C@]12CCC[C@@H]1[C@H]1CCc3ccccc3[C@@H]1CC2	202790964	HLCRYAZDZCJZFG-WNRNVDISSA-N	240.390	4.933	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@@H]2CCC[C@@H]2C)cc1	226524640	XZUMIXSCDSRFLJ-HEHGZKQESA-N	244.378	4.819	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H]1CCC[C@@H](C)C1	227550262	MXZYFXZBFOQBEI-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](c2nc([C@H](C)CC)cs2)C1	228578232	UEZQBJZLMKTZFS-UTUOFQBUSA-N	237.412	4.950	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@@H]1CCCC1(C)C	233179749	UCLZRMDXFJMCCU-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H](C)CNC(C)(C)C)C1	251692706	ILYGKVOEZMFOMW-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C[C@H](C)C(C)(C)C	300992039	VUHSIOXNLLZACX-OLZOCXBDSA-N	226.404	4.700	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](CCCC(C)(C)C)C1	302289174	KVBVBUNIUYWMPP-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCNCC1(CCCC(C)(C)C)CCCC1	305931281	OVVAFFIYZDZNMP-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
Cc1ccc(F)c(NCC2CCCCCCC2)c1	305974104	ZKYDLBXWLLKFEG-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCCNC[C@@H](CC(C)C)C[C@H](C)CC(C)C	305991636	SXQZEGJQTHWIDH-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CCOc1c(Cl)cc(Cl)c2sccc12	306847427	JVOHNBBHSBBGOV-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1N[C@H](C)CCC(C)(C)C	310264501	DWLWEHWKLJKZOH-BARDWOONSA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)([C@H](C)CC(C)C)C1	310496824	KRYXYLUXRKIZQE-PMPSAXMXSA-N	239.447	4.602	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNCCC2(C)CCCC2)C1	310998244	HWSDWMGSXRIOTP-ZBFHGGJFSA-N	249.442	4.539	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H]1CCCC12CCCCC2	313031239	JBPGYPQHPKAROI-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](NCCCC(C)(C)C)C1CCCC1	313268192	VIWWAVYFCIUOAI-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CNC[C@]1(CCC2=CCCCC2)CCC[C@H](C)C1	316946539	GUAYHFBMOQAXHY-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CCCNC[C@]1(C(CC)CC)CCCC[C@H]1C	317621335	FTQCCLDRDXMXAI-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)[C@]1(CNC(C)(C)C)CCC[C@H]1C	318028429	PJFBWYIDNRMKEG-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](N[C@H](C)c1cc(C)cc(C)c1)C1CC1	324081991	HUWWFPSOIRFYLI-RHSMWYFYSA-N	245.410	4.533	0	10	BJAE	
CCCN[C@@H](CC)CCCC1(C)CCCC1	380736300	RCDVXXUZFVUKEX-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(N)CCCC[C@@H]1C(C)(C)C	383926787	RVWNCPJCCCASEW-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CC/C=C/CN[C@H](C)c1ccc(CC(C)C)cc1	384958645	HBQDVXUIWLFDFI-LQYUOIDQSA-N	245.410	4.502	0	10	BJAE	
CCCc1ccc(N[C@@H]2C=CCCCCC2)cc1	384976225	MGGKNHQMOBOGJA-MRXNPFEDSA-N	243.394	4.940	0	10	BJAE	
CC[C@H](N[C@H]1CC12CCCCC2)c1ccsc1	386981986	CBOVUPRJEHEOGI-KBPBESRZSA-N	249.423	4.512	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCC2CCCC2)CC1	393960981	RDCMWWATYYNETL-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)(CC)CNc1ccc2c(c1)CCC2	395161892	JIHRXNMCZWLIFE-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CC[C@](O)(CCC1CCCCC1)C1CCCC1	395700048	ZIEGBZKAUJEAEP-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
COc1sc2cccc(Cl)c2c1C(F)F	396179108	BYNCIEPXYARWRX-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCOc1c(Cl)ccc2c(CC)csc12	396193990	TZXWYUGCEXRAHJ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc2c(CC)c(CC)ccc2s1	396209249	WRHDPTAUQWMUKW-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CSc1ccc2sc(C(F)F)c(C)c2c1	396401974	GDNLQBUMXKDXKC-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@H](NC1CCC2(CCCC2)CC1)[C@H]1CC1(C)C	397690266	MUJIASKHJBUYIF-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](Nc1cc(C)cc(F)c1)[C@H]1CC1(C)C	397771918	MZMYNXANSDLOMN-HUUCEWRRSA-N	249.373	4.761	0	10	BJAE	
CNCC1(CC2=CCCC2)CCC(C(C)C)CC1	401112205	OIGYHLZEMIHHBU-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C)/C(C)=C\[C@@H]1CCCC[C@H]1CC	401635605	BTCWVLYPSUBQQE-KKAKAWJYSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@H]1CC=CCC1	402114541	CFRCGGMOFGIJJL-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@H]2CC=CCC2)CC1	402144992	KJICTVRGKTVLJN-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccc3c(c2)CCCC3)C1	404644557	NGNFQTXJRQPMAJ-CJNGLKHVSA-N	243.394	4.556	0	10	BJAE	
CC(C)c1ccccc1NCC1(C(C)C)CC1	687530576	GSXKWYNXBOLHPF-UHFFFAOYSA-N	231.383	4.658	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@@H](C)C(C)(C)C	688408844	VYNBMWIXBQKDEQ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H]1C[C@@H]1C(C)(C)C	700011307	GKXSHPUMNNNPKB-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](O)[C@H](C)CC(C)(C)C)C1	704613637	PLHNCPVFBRRJHU-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@](C)(N)c1cccc2ccsc12	704936275	CHALLITWKZILGV-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CC[C@](N)(C[C@H]1CC2CCC1CC2)C1CCCC1	704936310	ADRSKBWLCLNZFF-BOXZVXIZSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@]2(N)CCC23CCCCC3)C1	705263483	BJLCPHIQVPKFTG-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1CCCC12CC2	706293747	ILNCIQHVLVYYEW-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(C[C@H](C)CC(C)(C)C)C1	709142656	JSWXVKITYPJHGU-HLPPOEQASA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H](C)CC1CCC1	710272278	OFHMAYACVDNBAB-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@]12CCCC[C@@H]1C2	710482499	FLEBPOGTQNUZPH-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC(C)(C)C(C)C)C(C)C	713143814	WVIZJVFKRSQMNB-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(O)CC(C)(C)C(C)C	713145240	GWUFKPZGUNIDAG-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)CC(C)(C)CC	713165765	HKPBSGAZDLWWJA-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H](C)c1ccccc1	713245328	AGLMRMJSDRYDKV-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CCCNC[C@@]1(CC(C)(C)CC)CC[C@H](C)C1	713338913	JBUBFXUXQHVMIJ-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C[C@H](C)C(C)(C)C	718603757	SIQKSHUVIQGUNT-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCCCCC2(C)C)C1	718990378	TYONPCSNRZBXSP-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H]1CCCCCC1(C)C	719220921	LUAPTBRFSKNGBO-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC(C)c1cccc(Cl)c1C(C)(C)C	822255861	ZXHRBNDIUHYPAF-UHFFFAOYSA-N	210.748	4.761	0	10	BJAE	
CCCCC1(NC[C@@H]2CCCC[C@@H]2CC)CC1	1184253479	VYINLTWRZNIWSA-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCC[C@@H](C)CC1	1308774689	SLJCGRFPFATKOX-PMPSAXMXSA-N	237.431	4.680	0	10	BJAE	
CC(C)c1ccccc1CN(C(C)C)C1CCC1	1473225786	AWTPUONDFDQUAB-UHFFFAOYSA-N	245.410	4.573	0	10	BJAE	
Cc1ccc(SCC2CCCCC2)cc1C	1656057975	HACOEXBAVLJKKA-UHFFFAOYSA-N	234.408	4.976	0	10	BJAE	
C=C/C=C/CCN(C1CCC(CC)CC1)C1CC1	1657004831	DQZRZHAHTZMRAR-AATRIKPKSA-N	247.426	4.552	0	10	BJAE	
CCC(CC)CCC(=O)CC(C)(C)C1CC1	1900697324	ORYKBRZCJNMERH-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CCC(=O)CC1CC(CC)C1	1900705342	VAFSQVNNNNRQNB-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC(=CCc1csnc1C)CCCC(C)C	1900904529	WXCSXDCPGXIJTJ-UHFFFAOYSA-N	237.412	4.767	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@H](CC)CCC	1905291490	DUFUXAGCAWPJJS-CABCVRRESA-N	227.436	4.713	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)CCCC(C)C	1905452035	BHLPHXYVZPOQNX-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CCC1(CN[C@H]2CCC3(CCCCC3)C2)CCC1	1915866475	IECKWESNQHCICZ-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H](C)[C@](C)(O)c1ccc(CC(C)C)cc1	1919644737	QKNDRBQBDLDMRJ-YOEHRIQHSA-N	248.410	4.529	0	10	BJAE	
Cc1cccc(F)c1NC1C[C@H]2CCC[C@H](C1)C2	1923470807	LZLZCGQZUHVSJR-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2C=CCCCC2)CC1	1925795459	BFKFNELEDBHNMR-HWOWSKLDSA-N	248.410	4.908	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@H]1C=CCCCC1	1925931110	XLMOETLCXDTTQI-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](CC[C@@H]1C=CCCC1)CC(F)F	1932599502	UZDMTAWBWFWFFI-NWDGAFQWSA-N	216.315	4.804	0	10	BJAE	
C[C@@H](CC(=O)CCCC1(C)CC1)CC(C)(C)C	1940877902	SSIRSSLWIAVFDN-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)CC1(C)CC1	1940884292	RWZRFZYVHBBJIU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)[C@H](CC(C)C)C(C)C	1941265302	UIBFHEHSPLWKGG-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CCCCCC1CC1	1941575759	PGGPCFVVDOOWSZ-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CCCCCC2CC2)C1	1941587880	WSLLCVACLTWQHY-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)[C@@H](CCCCCC1CC1)NCC	1941588246	ZWDXUOKMGUQBLU-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CC1CCC=CCC1	1941794161	WCZZJORUMSCALB-HZPDHXFCSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@]12CCCC[C@@H]1CCC2	1944155102	BFBABKDJVYZKAX-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](O)CC2(C)CCCCC2)C1	1945594475	CBXYREBJIVZVJE-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CC[C@@H]2CCCC[C@@H]21	1946368540	SGUDSZXTVSAEGX-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@]1(O)CCCCCCCC1(F)F	1947511196	VLRJCPLRTKTGFQ-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC[C@@H]1CCC	1947514536	GDQXKAMCQQEODK-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CC12CCCC2)CC(C)(C)C	1948079089	BQFVYXNRMYWGMB-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H](CC)CC(F)F	1949018738	JJQOJVOWWTWXKC-OCCSQVGLSA-N	249.389	4.746	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1949064083	RGVNHXSQJCHLNP-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(NCC2CC3(CCC3)C2)cc1Cl	1949837561	MGDRFRZCHBPTIY-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
CCNC[C@]1(CCC(C)C)CCC[C@@H](C)CC1	1950929155	FCGMFRVKIQTCSR-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@H](CC1(C(C)=O)CC1)c1ccccc1	1951615106	QFPAXHFTICKSEF-CJNGLKHVSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@]2(C)C=CCCC2)CC1	1966038534	VDFZHFANRUYHCP-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](NC1CC(C(C)(C)C)C1)c1ccccc1	1968549031	DLPLQDUSYWVNMF-GPANFISMSA-N	245.410	4.552	0	10	BJAE	
Cc1c(F)cccc1NCC[C@@H]1CCC[C@@H](C)C1	1968648705	QAXYUWVPDVGPSV-OCCSQVGLSA-N	249.373	4.762	0	10	BJAE	
CC(C)CN(C[C@H]1CC[C@@H](C)C1)c1ccccc1	1970692610	SQHASLQOPBNECJ-CVEARBPZSA-N	245.410	4.585	0	10	BJAE	
CCCC[C@@H](CCC)NCc1cc(C)cs1	1976037045	LUXZREBYOIUSRO-CYBMUJFWSA-N	239.428	4.505	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C1(C)CCCCCC1	1978452197	XTEAXOHQYXQLHG-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C)C1(N)CCC(CC)(CC)CC1	1981061109	QRESIXIXCZSKSF-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1c(F)cccc1Cl	1989824725	SDKOVHDNDKAGIK-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
CCCC[C@H](CC)NC[C@H](C)CC(C)(C)C	1990048424	FSTIYYMTXWGOAP-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)C1CCCCC1	1995262152	KXZWFQNAEFDAIJ-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2nc(C3CCC3)cs2)C1	1995468300	VTSKEDWOYXESOH-ZYHUDNBSSA-N	235.396	4.704	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCC(C)(C)C)CC1	1997116676	MCWCXYWZOZQTIX-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@H]2CCCC(C)(C)C2)C1	2000022623	BITNVGQHGNAPGV-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CCCCCC[C@H]1O	2003098614	HBHQHOCCBQIPOH-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](O)CC2(C)CCCC2)C1	2003175014	ISNLROQQIJKXDJ-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@@H]1CC[C@H](C)[C@@H](C)C1	2004724646	CUWYCDDPXPDVDG-WMHQRMGPSA-N	239.447	4.602	0	10	BJAE	
CC1([C@@H](O)[C@@H]2CCC2(C)C)CCCCCCC1	2004920861	ORIFBIDTEZCHAV-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@@H]1NCC1(C)CCCCCCC1	2004936931	HILOTARPIDOJNJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H](c1cccs1)C(C)C	2007028294	VWBYBSGNUNKGGV-ZFWWWQNUSA-N	249.423	4.534	0	10	BJAE	
CC(C)C1CC(C[C@](C)(O)CCC(C)(C)C)C1	2007757052	QGLXDAAJBLKGCR-ZBCRRDGASA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@]12CC[C@@H](Nc3cccc(Cl)c3)[C@@H]1C2	2009130181	JCPZQDZVWWISLV-RRFJBIMHSA-N	249.785	4.577	0	10	BJAE	
CC1(CC[C@@H](N)C2(C)CCCCCCC2)CC1	2009535880	PCYIAWHSQYVKGA-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CC=CCCC[C@]1(N)CCC[C@H](C(C)C)CC1	2009569453	PAZCLWQVUMNWGC-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCCC[C@H]1CCOc2ccccc21	2009593694	QPFFRWCCXASDPB-HSWBROFVSA-N	230.351	4.689	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H](CCC)C(C)C	2009615773	BSVIJRXWJRYXDS-MYNUTGAYSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@@H]1NC[C@@H](C)[C@H]1C(CC)(CC)CC	2009770537	QJWHCBXVHLETSQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(O)CC1CC(=C2CC2)C1	2011056569	DFVCSFPRCUTWMY-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)CN(C)CCC[C@@H]1CC1(C)C	2011177981	OOAVZAMJCDAKCS-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCCc1ccc(-c2cscc2C(C)=O)cc1	2013662809	PFHVWULHJMSRJC-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CCCN[C@H](CC(C(C)C)C(C)C)C(C)(C)C	2015289787	DUAIAJAWDZRMJE-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CCCC(C)(C)[C@H](O)CCC(C(C)C)C(C)C	2015336044	OOZUHYDEPKUMAK-OAHLLOKOSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(CC(=O)[C@H]1CCC[C@@H](C)C1)C(C)C	2015380042	RENNLDCRNDDRPI-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H](C)C[C@H](CNC(C)(C)C)C(C)(C)C	2015396928	HFVYDBLORFGFFX-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](CNCCCCCCC(C)C)C(C)C	2016107147	TYBFBCOTYUTTBQ-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccc(CF)cc1	2016146610	YESUOGYXCKXTSO-ZDUSSCGKSA-N	235.346	4.703	0	10	BJAE	
CC(C)C1(C[C@H](C)c2cccc(N)c2)CCC1	2017138383	JKJBQZABJUUKDL-ZDUSSCGKSA-N	231.383	4.589	0	10	BJAE	
CC=CCCC[C@H](O)[C@H]1CC[C@H](CCC)CC1	2017659083	RMROOVMLBGUBOF-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CCCC1CCC(C[C@H](NC)C(C)(C)C)CC1	2017722168	DQWVQSQXWCNFTH-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@H](CC)CNCC)CC1	2017728697	OHCZQTDWNDUOLP-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(CC2(N)CCCCCC2)CC1	2017732282	ZUDQUFIBUDDOMR-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@H](O)C[C@H](C)CC(C)(C)C)CC1	2018967132	IJZWQTQFVSDECU-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@@H]1CC[C@@H](C)C1	2019192034	IKSODRAXAVVERJ-OWCLPIDISA-N	239.447	4.571	0	10	BJAE	
CCCN(C[C@@H](C)CC(C)C)C1CCCCC1	2020534325	PHZZZAUEFFFRNA-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)c1csc(C)c1C	2022675300	JFAQWIGJCHOWDJ-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CC(F)(F)CCCC[C@@](C)(O)C1CCCCC1	2023310691	HJBABCDFACZPKZ-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC1(C)CCC[C@@H](CCC[C@@H](O)C(C)(C)C)C1	2024120582	XJOGLWYQXSKVRJ-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@](O)(C[C@H]1CCCC(C)(C)C1)C1CC1	2024128199	KXSLELVGNCEQIO-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H]1CCC[C@@H]1C	2026167618	SOMHMVOWOWDFJB-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C1=CC[C@@H](C)CC1	2026170424	PPNCEASLUSXJBW-SQWLQELKSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H]1CC12CCC2	2026171156	UNXBUELOYCGOEC-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc([C@@H](N)CC2(C)CCCCC2)c(C)c1	2027312532	WQOJNFAGUZLFIN-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
C[C@H]1CCC[C@@]1(CCCC1(C)CC1)CNC1CC1	2027822472	QZPLRWWHBFUYFV-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cccc(C2(C)CC2)c1	2028556866	IDYUXBOJKIPTAS-CZUORRHYSA-N	245.410	4.564	0	10	BJAE	
CC[C@](O)(c1ccc(C2CCCC2)cc1)C(C)C	2031747489	WCPMCPRWQGPPIN-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCc1occ(C)c1[C@@H](CCC(C)=C(C)C)NC	2035535374	WPSLUKDYWZJUCS-CQSZACIVSA-N	249.398	4.547	0	10	BJAE	
CCCC[C@@H](Cc1cccc(C(C)C)c1)NCC	2036496080	SSZRRTKUAIFOSB-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
C1=C[C@@H](NC2CCC3(CCCC3)CC2)CCCC1	2039031656	GWIRPWIRAPUEGL-OAHLLOKOSA-N	247.426	4.578	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@H]1C=CCCCC1	2039032536	NXKXASUUEZOMPJ-YYIAUSFCSA-N	249.442	4.536	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@@H](N)C1=CCCCCCC1	2039433160	AEMNEZJVIQWIJZ-PVAVHDDUSA-N	247.426	4.587	0	10	BJAE	
CCCN[C@@H](C=C(C)C)c1ccccc1C1CC1	2042291114	UKDLRZSBMCILPF-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC[C@H]1C=CCCCC1	2043187971	PTPGKZUFNDUJDJ-WBVHZDCISA-N	247.426	4.601	0	10	BJAE	
Cc1coc(C)c1C(=O)C[C@@H]1CCC=CCCC1	2045308566	VHGOEGOFHPFCEL-CQSZACIVSA-N	246.350	4.606	0	10	BJAE	
CCCN[C@@H](CC1CC1)C[C@@H]1CCC=CCCC1	2045323085	JOSACZPQZSDKMN-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@H]1CC1(N)CCC2(CCCCC2)CC1	2045665611	IVXMMZPICGXONN-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC1(CCCNC2CC3(CCCCCC3)C2)CC1	2046226511	KFPJAXXSXLJORB-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@H]1CC12CCCCC2	2047008059	LYKDNNNEUOFZOZ-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCNCC1(C[C@H]2CC23CCCC3)CCCCC1	2047010046	GMSKLOBCDDADON-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@@H]1CC12CCCC2	2047062113	LFFYQILGERBKTN-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H]2CC23CCCCC3)C1	2047063443	WNTJDCNEFHQSDK-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2[C@H]3CCCC[C@H]32)C1	2048469065	QXSZBDNYAMGICV-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCCCCC[C@H]1C[C@H]1[C@H]2CCC[C@H]21	2048470271	MGIDYEIPXWNUPV-JONQDZQNSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1[C@@H]2CCCCC[C@@H]12)c1ccc(N)cc1	2048492338	WKDBHGZJMZTCQF-DAXOMENPSA-N	243.394	4.589	0	10	BJAE	
CC[C@@](N)(C1CCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049212136	PJKFFICBNNZOTC-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H](C)[C@H]1CCCC(C)(C)C1)c1ccoc1	2049539483	HCQRHCYPTAECKO-RDBSUJKOSA-N	249.398	4.535	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@H]1CCC2(CC2)C1	2049863500	YHMUBEKYUCELSA-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)CCC2CCC(C)CC2)c1	2050457149	ZECDBEUIYGXCCB-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@@H]2CC23CCCCC3)CCC1	2055595793	GMQCPSOGPUHKAB-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H]1C[C@@H]1CC(C)C	2056875115	CVWPSWWGPKTAMC-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1[C@H]2CCCC[C@H]21	2059250747	TWSDQROMZFHXBA-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1=CC[C@H](C)CC1)C1CCC(C)(C)CC1	2060925732	MRBABOAJHUSFLV-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@]1(N)CCC2(CCCCC2)C1	2062650823	GSXZBSJNDKNMSW-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063487917	SODVXMVHFPOPFF-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CC23CCC(CC2)CC3)[C@H](C)C1	2065280650	XOSCWWNVLOYZIR-AQPXSAIXSA-N	248.410	4.598	0	10	BJAE	
C1CCCCN(CC23CCC(CC2)CC3)CCC1	2065298576	SRWZJPIWBIYRRG-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCN[C@H](CCC1CC1)CC12CCC(CC1)CC2	2065307255	FDNNKXUHTSASFB-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@@H]2C1	2068801035	MJCNZJSKMOJSLB-QOIQYRQASA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@]2(N)C(C)(C)[C@H]3CC[C@@]2(C)C3)CCC1	2069278060	DPQAWCXNFUNWLP-QRTARXTBSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CCC3CC2C3)CC1	2069355254	ZTZDFROOIYYVIR-ZBCRRDGASA-N	249.442	4.514	0	10	BJAE	
C[C@@H](NC1CC(C)(C)CC(C)(C)C1)C1CC=CC1	2070807764	MJDHLDBTTFTMCA-CYBMUJFWSA-N	249.442	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CC1	2071191955	MHSOFYDIGVBBDN-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1NCCC1=CC1(C(C)(C)C)CCC1	2071947444	ADQZVJVMAXVDIB-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)CC23CCC(CC2)C3)CC1	2072793159	HQSAAUIFRNRMHT-UWEUSHKOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@H]1CC[C@H](C)CC1)[C@@H](N)c1ccccc1	2072799630	VNCUBCRYPOVJAI-QBYUYEEZSA-N	245.410	4.539	0	10	BJAE	
C1CCC2(CC1)C[C@@H](CCCC1CCC1)CCN2	2074138308	IRJNSXIGADLQGK-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC1(C[C@](C)(O)c2ccc(C(C)C)cc2)CC1	2074619472	RGODJQLKQUGFLJ-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CC1(C)CCCN([C@@H]2CCC23CCCCC3)CC1	2075007240	UOORIJBHQBSRHH-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCCN(CC12CCC(CC1)C2)C1CCCC1	2076585894	LUQFIEKNSTUWQQ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H](C)c1ccccc1	2077197621	SFJDEHKGOWIULZ-RHSMWYFYSA-N	245.410	4.515	0	10	BJAE	
CCCCc1ccc([C@@H](O)C(C)(C)CCC)cc1	2077922216	FABBVQFQOXPYSF-MRXNPFEDSA-N	248.410	4.889	0	10	BJAE	
Cc1cccc2c1ccn2C[C@H]1C[C@H]1C(C)(C)C	2079819513	NQCMZPNMUFRYKU-UKRRQHHQSA-N	241.378	4.632	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@H]1C[C@@H]1C1CCCC1	2079865332	OZNNWQWZTBZJKX-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@H](C)NC[C@@H](C)C(C)(C)C	2081209550	QXOIGSBGSACKHT-KGLIPLIRSA-N	247.426	4.582	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](C)C1CCCCC1	2081946439	HMKSPNGFVBUVBE-LBPRGKRZSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)C[C@H]3CC[C@H](C3)C2)C1	2082981319	CFTNGDMKHGMLMK-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC1CC(=C2CC2)C1	2086055801	CUQUQHZWEQNCFF-CXAGYDPISA-N	249.442	4.811	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC1C2(CC2)C12CC2	2086061224	UJLNDJIMOBYRPF-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CCCCCCC1CC1)C1CCCC1	2213571234	GEJAQQHDZRJKSL-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@@]1(O)CCCC[C@H]1CCCCCCC1CC1	2213576170	NJRAYESRLVCDQT-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)c1scc(C)c1C	2213662796	YOZYGIGTTIHFHP-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
C/C=C/CCC[C@]1(O)CCC[C@H](C(C)(C)C)C1	2216255715	FCJQAQGOIDJBLC-NCVJHSOJSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CCCC(F)F)C(C)(C)CCC	2216277448	HFPOZGZWVDMFFG-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](C)[C@H](N)CCCCCCCC1CC1	2216879427	IYJXWRGQLYTWNJ-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218332768	PFQDDHUPKPYRAN-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C1C[C@H]2CCC[C@H](C1)C2	2218345571	GLWDNQMYLLETCN-YQQAZPJKSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)cc1	2218362295	VWUBKLLDNITOTD-ZSHCYNCHSA-N	243.394	4.623	0	10	BJAE	
C[C@H](C[C@H](O)CC=Cc1ccccc1)C(C)(C)C	2219062516	NGEQXCMYFLKYHY-GDBMZVCRSA-N	246.394	4.523	0	10	BJAE	
O=C(CCCCC1CC1)[C@H]1C[C@@H]1C1CCCCC1	2220006306	PBJDJZAQTMYIMJ-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
CC[C@](O)(CCCCC1CC1)c1cccc(C)c1	2220026669	ANDTWEVDCZNODY-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@H]1CC[C@H]1C	2220525316	WQBNKDOHIMJVTL-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
CN(CC1(C)CC2(CCC2)C1)C1CCCCCC1	2220935888	MIJULLKVKILZRS-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)C2(C)CC3(CCC3)C2)C1	2221004460	FYEUAIHWMKVFHD-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@H](CNCC2(C(C)(C)C)CCC2)CC1	2221615441	LHSOIJXWVPMMSW-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)CC2CC(C(C)C)C2)CC1	2221621073	CPRSFTXSNZAGCH-BHUNQDJPSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC[C@]1(N)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222950041	UNRFQWRQATWZMO-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1[C@H]2CCC[C@H]21	2223110238	NGSWJVMQODDJJR-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
C(=C/c1ccccc1)\Cc1cccc2ccoc12	2224191047	WRSMCMYOELHLTC-XBXARRHUSA-N	234.298	4.689	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1ccc2occc2c1	2224198632	SZEWPOKOVPKKGU-IUODEOHRSA-N	246.350	4.539	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@H]2CCCCC[C@@H]2O)C1	2246733988	SJXNFFKIZRMCEG-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(OCCCC[C@@H]2C[C@H]2C)cc1C	2247118509	HMGOBNARUVKLTN-HUUCEWRRSA-N	232.367	4.509	0	10	BJAE	
CSc1ccccc1NCCCC[C@H]1C[C@@H]1C	2247121106	PFSWLOKLDTYHJB-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C(C)(C)C(C)(C)C	2247175627	KFXKAQVDEKDEIL-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC[C@@H]1CCCC12CC2	2247622263	NIEYJCUPMIDRDT-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C1=CC[C@@H](C(C)C)CC1	2250359157	QWYYXICGFVWGRH-SQWLQELKSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@H]1CC12CC2	2250470407	ZRMSADAJNAHYHE-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@]1(C)C[C@H]1F	2250512950	CCWMWLILUKAWNF-GZBFAFLISA-N	242.378	4.546	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@@]12CC[C@@H]1C2	2250518044	RAZCNMFZXHBKON-SQWLQELKSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@](C)(O)CCC1CC(CC(C)(C)C)C1	2251584459	FSPPZFIZKGNRBL-ZBCRRDGASA-N	240.431	4.636	0	10	BJAE	
CC1CC(CCC(=O)CCC(C)(C)C2CC2)C1	2251769983	GGLIJGDZAPRHNM-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)C1)[C@]1(C)C=CCC1	2253771730	LZGHCJMNSGJCND-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCC=C1CN[C@@H]2CCCC[C@H]2C1	2253816687	KEDNPAOZLGLCRO-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2253930712	NSXJPNWBLDGTKM-NPJQDHAYSA-N	248.410	4.598	0	10	BJAE	
O[C@]1(CC2=CCCCC2)CCC2(CCCCC2)C1	2255064031	PHLQAUCKSNOZQJ-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)CC[C@@H]1CCCC12CC2	2255256646	AGHZONFPKPSKBJ-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC[C@@H]2CCCC23CC3)C1	2255271731	XKEKMSXPERIDCV-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC1CCC(CC(=O)C[C@H]2CCCC23CC3)CC1	2255324850	BBRUNSCAKRJILG-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)[C@@H]1[C@H]2CCCC[C@H]21	2257311554	MVJAUNWQAGSFGJ-LVNYTYFRSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(NCC2CC3(CCC3)C2)cc(C)c1C	2258242562	HTZCUPUFPYMFDP-UHFFFAOYSA-N	243.394	4.604	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@]12CCCC[C@H]1CC2	2260503099	BGJHCTIEPKRDHX-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C(=O)C[C@@]23CCCC[C@H]2CC3)c1	2260581342	ZFMWJWYCCGHAJG-RDJZCZTQSA-N	242.362	4.538	0	10	BJAE	
CCCC1CC(C(=O)C[C@@]23CCCC[C@H]2CC3)C1	2260584974	YNIMNKRXVLGFID-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CC1CCC1)c1cccc(C2CCCC2)c1	2260676116	VMUOUVBRFDDJQV-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
C[C@](N)(C[C@]12CCCC[C@@H]1CC2)C1CCCCC1	2260681822	DURSRXRYGXSVOY-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CC[C@@]1(CO)CCCCC1(C)C	2300676165	LSPLOFWLVBFBAJ-MRXNPFEDSA-N	240.431	4.782	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC(C)(C)CCC1=O	2300701675	SYMXEQIOOILMJV-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CC=C(C)CC)CC1	2300919947	BAFKOYVWUWZWII-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
CN(C[C@H]1C=CCCCC1)c1ccccc1Cl	2301370249	ZMWBUWAQWUAFPV-ZDUSSCGKSA-N	249.785	4.523	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)CCC1=CCCCC1	2301929536	XGSPNZUXMKPIGN-ZDUSSCGKSA-N	234.383	4.662	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@H]1CCC[C@H]1C(C)C	2301954169	XKIONVRBSCNTTA-AJNGGQMLSA-N	238.415	4.556	0	10	BJAE	
C[C@@H](CC(C)(C)C)NCCCC1=CCCCC1	2302308425	AGFHIPMLUFHIAP-AWEZNQCLSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)C[C@@H](CCCC1=CCCCC1)NC	2302360481	BBCSFMGKRYGVGE-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1CCC(C)=C(C)C1	2303574871	DKULLVIJOVKOHW-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
CC(C)(C)CCCNCC[C@@H]1CCC(C)(C)C1	2304424469	WUFHNDNUEFLEKE-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H](C)c1ccccc1	2307758125	UCWHQFVDKJVSML-KBPBESRZSA-N	232.367	4.576	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cc(C)cc(C)c1	2307764377	WHQAQOGWLKWUJX-AWEZNQCLSA-N	232.367	4.703	0	10	BJAE	
CCCNC[C@@]1(C[C@@H](CC)CCC)C=CCC1	2307845133	SRVIGLBLNQGKSC-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC[C@@H]1C[C@H]1C1CC1	2308414855	QXXYHJUUXTZCSH-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@H]1CC[C@@H]2C[C@@H]2C1	2309129769	JNAYNQKTADZOSW-OAGGEKHMSA-N	244.378	4.686	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2CCC[C@@H]3C[C@@H]32)CCCCC1	2309960015	JOZUAXAZGQKMMW-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@]12CCCC[C@@H]1C2	2311129712	UYRANIXCYZACIW-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1C[C@@H]2CC[C@H]1C2	2312950585	FYEIATGONDVVPG-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@H]2CC[C@@H]1C2)CC1CCCCC1	2313162726	TWLRZNKIXZZEQP-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)[C@@]12CCCC[C@@H]1CC2	2313292937	ZLMQJENCRWJVTK-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2313320750	ZQQHAXVJJLVICS-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@]12CCC[C@H]1CC2	2313336453	SHJSRLPMTRLAGE-LJIGWXMPSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@]23CCCC[C@@H]2CC3)[C@@H]1C	2313346456	KHALMFPPIBGEAZ-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@@H]2C[C@@H]2C1	2315873500	WJICDPOUHYMXCI-BZUAXINKSA-N	243.394	4.719	0	10	BJAE	
CC[C@@]1(C)NCCC1=CC=C(C)CCCC(C)C	2316535316	GORBSVWHFBOFPG-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)[C@H]1CC12CCC2	2316878321	MXZJDTIKKNRIKC-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](NCCCC2=CCCCC2)CC[C@H]1C	2318532034	SVDBQHXCRLZNRA-HLLBOEOZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H]1[C@@H](N)CCCC1=CCCCC1	2318588598	HUMCJLXKMRAPHG-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CCCC[C@@H]2C[C@@H]21	2319245494	FSPJTROPYZJXJQ-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC[C@@H]2C[C@H]21	2319535094	MZRANMPWCFSSNL-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@@H]1CCC(C)=C(C)C1	2320238063	QNWCHUAJNSCSMA-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC(N(C)C[C@H]2CCC(C)=C(C)C2)C1	2320390820	NOANWCGSGTUICF-GTPINHCMSA-N	249.442	4.633	0	10	BJAE	
CCC[C@@]1([C@@H](CC2CC2)C2CC2)CCCCCN1	2320779859	RZXAFDGSVJRBPQ-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)Nc1cc(C)cc(C)c1	19981523	UIQBMEODIAHVRP-UHFFFAOYSA-N	219.372	4.684	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccc(C(F)(F)F)cc1	21507496	PGCMZVZJQWNCIM-ZJUUUORDSA-N	245.288	4.552	0	10	BJAE	
CSc1ccccc1NC1[C@@H](C)CCC[C@@H]1C	36957232	WUTJHFZQOLXMJC-RYUDHWBXSA-N	249.423	4.645	0	10	BJAE	
CCC[C@@H](C)Nc1ccc2sccc2c1	36976110	DEAVSPQSDNUBON-SNVBAGLBSA-N	219.353	4.502	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@H](C)C(C)C	70123845	VBYWEIZDEYMOBG-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCCC(=O)c1ccc(Cl)cc1	71617651	BUURVKONWFPDOU-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(O)CCC(C)(C)CC2)C1	79657311	CZUARNLERDPWHX-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1cccc2ccccc12	79904327	ZTIXTCLMBTWUCW-GUYCJALGSA-N	241.378	4.537	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CCC[C@H](CC)C1	80417264	JABDUTSNWJPPKG-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2ccc(C)cc2C)C1	87984384	FVVWKNPZNZCAHU-CABCVRRESA-N	244.378	4.703	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Sc1cccc(N)c1C	91941719	IJXIVYVIDMIGLW-WFASDCNBSA-N	249.423	4.638	0	10	BJAE	
CCCNC[C@@H](CCC(C)C)c1ccc(C)cc1	93139269	DIIRYLLTNQBUON-QGZVFWFLSA-N	247.426	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CNC1CC1)C(C)C	104017842	OKCBJGQBUBVQJH-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](NC1CC(C)(C)CC(C)(C)C1)C(C)C	124779985	OPRKXJYESUDCNQ-CQSZACIVSA-N	239.447	4.616	0	10	BJAE	
CCC1(C(=O)c2cc3ccccc3o2)CCCC1	125333209	CVEHTPFKQCRRIF-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCCCC[C@H](CNCC(C)C)C1CCCC1	128333646	DDZBFENEKJWZSQ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC1(O)CCC2(CCCC2)CC1	129905990	XHEOYBZTJJDOJV-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC1CCC(C(=O)C2CCCCCCC2)CC1	158840518	MTOACEWFJJJQST-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](C)CC1(C(=O)O)CCCCCCC1	159173166	IJTFVXGHQZMXFM-CYBMUJFWSA-N	240.387	4.628	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C(CC)CC	161078643	ALHYXAXZEKTSRV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)[C@H](C)CCC	161080052	VKMHNQDAEBBYTA-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)CNC[C@@H](C1=CCCCC1)C1CCCC1	161468879	XAGLYZUXUXCYMX-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H]1CC)c1ccc(C)cc1	163901626	ZDGVEAROTPIDLG-BHYGNILZSA-N	245.410	4.614	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)C1CCCCCCC1	203576716	IHMUWWQNAOOVKI-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)(C)C)c1cccc(C)c1	229311239	VMNJMPYPSJFNLG-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)[C@@H](C)C1CC1	233175728	SRWFVMFNEPPTOY-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC(C)C)C1=CCCCCCC1	233549926	BQXBCYYVCPZJRI-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)[C@H]1CC1(C)C	233598066	SOQXHNNVJNPUFH-CVEARBPZSA-N	245.410	4.507	0	10	BJAE	
CCC(CC)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1N	250783670	UVEPYFMBPBDNTA-BPLDGKMQSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC1C[C@@H](C)C[C@H](C)C1	251742993	GINYFYJRKXBWSL-AJNGGQMLSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@H]1CCC[C@H](CC)C1	253048991	SFCVLGZPMIKLEO-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H]1CCC[C@H](C)C1	300131729	FNITXVMMWCVRPD-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CCS[C@H]2C)cc1	300530916	SKQHNUIQCURROB-HUBLWGQQSA-N	249.423	4.506	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)CCCC(C)(C)C	300780469	BDVPSOHOOBXTJG-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@@H]2/C=C/CCCCC2)c1	302348114	FSWOGHJHYHUWPZ-HYUXHOLKSA-N	243.394	4.535	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CCCC(C)(C)C)C1	304150636	PGCVDOYZDSFTRV-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
C[C@@H](C[C@H](N)CCC1CCCCC1)C(C)(C)C	305951562	NCLIOZPQXANIOP-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(N[C@H]2/C=C/CCCCC2)c(Cl)c1	305968684	JNHGJSUPJGKMBZ-IYNGYCSASA-N	249.785	4.949	0	10	BJAE	
Cc1c(Cl)sc2c(C(F)F)cccc12	306938261	GJDGMMLYDVHGCJ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)c1ccccc1CC	308053715	NFVFSRLDKBNGAK-DOTOQJQBSA-N	247.426	4.711	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](NCC(C)(C)C2=CCCC2)C1	308758999	UDDQTWJIANSROF-FOLVSLTJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](NCC(C)(C)C2=CCCC2)[C@H](C)C1	308761098	ZKERYRYMSWRPCS-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)C(C)(C)C(C)(C)C)C1	310551574	GOSSAHWZPQQPCC-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CCC[C@H](Cn2ccc3c(F)cccc32)C1	311161306	YODYAHXIRRYCFQ-STQMWFEESA-N	245.341	4.607	0	10	BJAE	
CCCNCC1(C(CC)CC)CCCCCC1	317189204	OCOPEZIXWPWKJC-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC1CCC([C@H](N)[C@@H](C)[C@@H](C)CC)CC1	319528945	FBRZTHHWDCADQY-RKVQBDSKSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C)[C@H](C)n1ccc2c(Cl)cccc21	319630783	PKYAEMTXFCYJLT-MNOVXSKESA-N	235.758	4.902	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1C=CCCCCC1	383095940	AFZYYYWSTJNRBG-CVEARBPZSA-N	237.431	4.824	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@H]1CCCC[C@H]1C	384516765	IVHIVCMKMYNSCG-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)c1nc2c([nH]1)[C@H](C)[C@@H](C)CC2	385176472	ZQQDVXMBZLAUFQ-NWDGAFQWSA-N	248.414	4.779	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1C=CCCCCC1	386106935	JMGVVYGDWYJZQA-GJZGRUSLSA-N	237.431	4.680	0	10	BJAE	
CCC1([C@@H](O)CCC2=CCCCC2)CCCC1	386252577	JIHDSZMAJZJERC-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(-c2nc(C(C)C)sc2C)c1	390568488	MLDJSYNEJYLSMG-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
CC[C@@H](NCC(C)(C)CC(C)C)C1CCCC1	391151905	CEJUPAZUFSHKJB-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)Oc1cccc(NCC[C@H](C)CC)c1	394417789	WECDWAGHZNYHGM-KGLIPLIRSA-N	249.398	4.712	0	10	BJAE	
CC1(CNCCC2CCCCCC2)CCCC1	394554815	CAXFBZIDWATTSJ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC[C@H](Nc1cccc(F)c1C)[C@H]1CC1(C)C	397619051	DDRJZBRCEJNHBZ-DOMZBBRYSA-N	249.373	4.761	0	10	BJAE	
CCSc1ccccc1N[C@@H](C)[C@H]1CC1(C)C	397848477	QXNJKXXCQHNLDC-NWDGAFQWSA-N	249.423	4.645	0	10	BJAE	
CCNCC1(CCC2CCC2)CCCCCC1	398762908	JIUHRWBXBFNLLM-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H](CCC1=CCCC1)CC(F)(F)F	402455946	VLJHIPWMDOKILC-JTQLQIEISA-N	220.278	4.856	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC/C1=C\Br	606287915	BYAUMAVROLIDCH-AAXQSMANSA-N	231.177	4.502	0	10	BJAE	
CCC(CC)[C@@H](C)Nc1nsc2ccccc12	686912488	AATABEXOPDPUTI-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
CCC1(CNc2ccc(C(C)(C)C)cc2)CC1	687533408	SLASLBPAJAUPMA-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
C[C@@H](CC1CCCC1)Nc1ccccc1Cl	689778430	BZNBMNKGGIUGJG-NSHDSACASA-N	237.774	4.721	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@H](C)C1CCC1	692725792	PTABEDYFSSMPGT-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)COc1cccc2sccc12	705079788	CLECQYZAOHKPSI-LBPRGKRZSA-N	248.391	4.962	0	10	BJAE	
CCC[C@](N)(C1CCC1)[C@H]1CCC[C@@H](CC)C1	705365019	SIIRMXKSZXFDCI-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)CC[C@@H](C)C[C@H]1C	709138374	AGWDBKVWVGDQTP-CTASWTNQSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cccc(C(C)(C)C)c1	709456334	ADYCZOAJWGCZLA-ZDUSSCGKSA-N	246.394	4.993	0	10	BJAE	
CCCCC[C@@H](C[C@@H](CC)C(C)(C)C)NC	711079504	GBXWSYRQAJKAIM-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H](C2CCCC2)C2CCC2)C1	711830327	CZCFEFFTUAWATP-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CC(C)(C)CC[C@@H]1C	713008660	JZTPJSQTMHWOKC-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](O)CC(C)(C)C(C)C	713260213	XZNOXKJIPFNADJ-HOTGVXAUSA-N	248.410	4.613	0	10	BJAE	
CCCC(CCC)C(=O)CC(C)(C)C(C)C	713366646	TXNMOHDKFOWJKV-UHFFFAOYSA-N	226.404	4.844	0	10	BJAE	
C=C/C=C/CC[C@@H](N)c1ccccc1C(C)(C)C	713750129	SHXJDOJPYJBVRI-FYCOFBDGSA-N	243.394	4.506	0	10	BJAE	
O=C(CC1CC=CC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714391297	UIXBOQUIQRREJI-ARFHVFGLSA-N	246.394	4.518	0	10	BJAE	
CCC[C@H](C)C1(CNC(C)C)CCC=CCC1	718083028	PGLPEHCLOGVVIL-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CCC(C)=C(C)C)C1	718697912	FDZRSOQYIWAGLA-PMPSAXMXSA-N	238.415	4.700	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1C[C@@H]1c1ccccc1	718778162	RNGYJDBZXHBGSE-HZPDHXFCSA-N	214.352	4.927	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCCCCC1(C)C	719217610	DQMGYWFIOHZGSQ-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
CCCCCCN[C@H]1CCCCCC1(C)C	719226570	OBZSKNZKLWCFNE-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCc1cc(NCCCCC2CC2)ccc1C	720146138	DTHFYHYRAHJLIQ-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CC[C@H]2CCCC[C@@H]2C1	723622124	QKPGYIXNUSHTHN-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](N[C@H](C1CCCCC1)C1CC1)C1CC1	723979305	BKGDFHRKESCMCD-DLBZAZTESA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)CSC[C@@H]1CCCCC1(F)F	1307317231	DTMWYCVJMHOPCO-QWRGUYRKSA-N	236.371	4.591	0	10	BJAE	
CC[C@H](C)CCC(=O)Nc1cccc(C(C)C)c1	1348465159	DMBJVKAVAPJWMM-ZDUSSCGKSA-N	247.382	4.575	0	10	BJAE	
CC(C)=Cc1ccc(-c2ccccc2)s1	1615164513	CNUVTGIHSFBSSM-UHFFFAOYSA-N	214.333	4.838	0	10	BJAE	
CC(=CCC1CCOCC1)CCCC(C)C	1900904784	XXQILCCETHPROE-UHFFFAOYSA-N	224.388	4.576	0	10	BJAE	
CC=CCCCCCCCC(C)(F)F	1901152470	XTWMUQWLHRDPML-UHFFFAOYSA-N	204.304	4.948	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@H](C)C(C)C)c(Cl)c1	1901708758	KOYQSCXGANEWKI-NEPJUHHUSA-N	239.790	4.741	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@]1(O)CCCC(C)(C)CC1	1908581427	GQBOAPPWINOUDN-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC1([C@H](N)C[C@H]2CC[C@H](C)CC2)CCCCC1	1909702985	IORASLWCDHZXBX-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)C[C@H]1CC[C@H](CC)CC1	1909710206	BPVLVSMZGHLZMN-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@@H](CC)CC[C@H]1CNCC	1911933962	MKVBPKFAVYGRJP-BBWFWOEESA-N	249.442	4.561	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CCCCC2)C1)[C@H]1CC1(C)C	1915854250	GTNHTLJYIPFVPJ-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C[C@H](O)CC[C@H]1CC1(C)C)C(C)(C)C	1921554534	VASRUJVNTGABNW-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
N[C@H](C1=CCCCCCC1)[C@H]1CCCC12CCC2	1921585602	HHTXKFDWSZZJLA-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@H]2CCCC23CCC3)C1	1921601811	JUOJSMKVAPTFGJ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@@H](C)C2CCCC2)cc1	1924128024	XYCRUSJLDGVFAH-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
O[C@]1(C[C@@H]2C=CCCCC2)CCC2(CCCC2)C1	1925932128	DSCXSTRHAKPQBU-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](NC[C@H]1C=CCCCC1)C1CCCCC1	1925942564	KKSNZKNSWVUZGC-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(C)sc1C(=O)CC(CC)CC	1926201104	NCFTZQJZRJGFNY-UHFFFAOYSA-N	238.396	4.628	0	10	BJAE	
CCCC[C@H](CCC)NCCCC1(C)CC1	1935922307	XKAVULHUSQWULF-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](CN)CC(C)C	1938138916	YCXHDLRJFUYEPM-CABCVRRESA-N	227.436	4.604	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CC(C)(CC)C1	1939094293	LLKNQJUDMBRBSA-WLYUNCDWSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc2c1ccn2CCCC1(C)CC1	1940885317	YJVSHTMEGONBGJ-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CN)CC=CC[C@H]1C	1940947209	ILSBHPPDEDJMBM-PMPSAXMXSA-N	237.431	4.524	0	10	BJAE	
c1cc(N[C@H]2CC[C@H]3CC[C@@H]23)c2sccc2c1	1941021472	JVNRYMVQDLNMTJ-RTXFEEFZSA-N	243.375	4.502	0	10	BJAE	
CCCN[C@H]([C@@H](CC(C)C)C(C)C)C(C)(C)C	1941266496	GIMHBCNSBXFYBF-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC(=CCCCCC1CC1)c1cccc(N)c1	1941585012	RGRMFKMKFQTRBB-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
CCCCCC1(CNCC(C)C)CC(C)(C)C1	1941975939	BFRGHRZVPVQEAK-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)CCC2CCCCC2)C1	1941986034	RWUGHZZJFMQFAV-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CCCC12CCCC2	1942659097	QPUHEWFUNRSEFW-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@]12CCCC[C@@H]1CCC2	1944155362	DNMXWAQJTTWLQN-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@@H](C)C1CC1	1944533270	FXWCKWYVJQPWKT-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NC1CCC2(CCC2)CC1	1944600414	QDIBKBAWWFZSCF-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H](C(=O)C1C(C)(C)C1(C)C)C(C)C	1946172740	WUUXEXOISRMZJX-GFCCVEGCSA-N	238.415	4.556	0	10	BJAE	
CC(C)CC(C)(C)NCC1CCCCCCC1	1947016331	MFTHEFHFKIMDMA-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cc(C)ccc1C	1947468034	XVRHJSWAGHLNIV-CABCVRRESA-N	231.383	4.684	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C[C@@H](C)CC(C)(C)C	1948322299	XQENXPXPOCEKMA-OFQRWUPVSA-N	241.463	4.848	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1(C)CCCCCC1	1949013089	FZPCWIQBCOHJPK-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@@H]1CCC(C)(C)C1	1949500898	IANCHYAQWZGSQV-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CN[C@@H](CC[C@@H](C)CC(C)C)CC1CCCC1	1949864434	NCTGXEPNDFSATR-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2C=CCC2)CC1	1950924255	XZJSPKKGWWQHBO-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@@H]1CCC[C@H](C)CC1	1950925248	RMWAEMGWFIBJJS-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H]1C(C)C)c1ccccc1	1964200239	UYFDAZYLUDTXSC-IKGGRYGDSA-N	245.410	4.552	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N[C@H]2CCCC23CCCC3)C1	1967700236	VWHJGEMUSLJYOV-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(O)c(-c2cccc(C(C)(C)C)c2)c1	1969843121	SOILTVOZSBZWKG-UHFFFAOYSA-N	240.346	4.665	0	10	BJAE	
CCC[C@H](CC)NC[C@@H]1CCCCC12CCC2	1973671469	CTFGPXTUCKYWFS-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@]1(C)CC=CCC1	1976668755	RFONISJUTOVPAQ-OAHLLOKOSA-N	222.372	4.518	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H]1CCCCCCC1=O	1980342274	QVHVEHOWTKRUKL-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCC1(C)CC(Nc2cccc(Cl)c2C)C1	1984402814	CSCMTSOTEXJIEA-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CC[C@H](CC)CC1	1984574758	DPAGASMDBNZDJN-MJCNJDDZSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H](CNc1cccc(SC)c1)C(C)C	1988767549	LVMPBFTZRWATNS-LBPRGKRZSA-N	237.412	4.503	0	10	BJAE	
C1=C[C@@H](CC2CC(c3ccccc3)C2)CC1	1989245087	TVCHRUACQMPEJQ-VQCLRJIVSA-N	212.336	4.537	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C(C)=C(C)C	1989666323	RQRXYMYKYCVIAD-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCC1CCC(CCC[C@@H](O)CC)CC1	1989808922	YYUACBPEJKHOPD-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
Cc1c(C(F)F)[nH]c2ccc(C(C)C)cc12	1992097384	RPNGEGVHAJITHL-UHFFFAOYSA-N	223.266	4.537	0	10	BJAE	
CCCCc1ccc2occ(C(C)C)c2c1	1995466661	VYDCMSVWMJCQRQ-UHFFFAOYSA-N	216.324	4.899	0	10	BJAE	
CCC1CCC(N[C@@]2(C)CCCC[C@H]2C)CC1	1995644356	CYUFZGFKKONQEN-LMPOIIKSSA-N	237.431	4.514	0	10	BJAE	
Cc1ccccc1N[C@H](C)C1(C)CCCCC1	1995987329	JOBIEUUNVPAFMV-CQSZACIVSA-N	231.383	4.766	0	10	BJAE	
CCCC(C)(C)[C@@H](CC[C@@H]1CC1(C)C)NCC	1996602016	BINYWCAWEDOITR-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](N)[C@H]1CCCC2(CCCCC2)C1	1996646553	DUHPDULHLUXRME-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@]1(C)CC=CCC1	1997551861	NOXZZHAKSAZFOD-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@]1(C)CC=CCC1	1997554789	UUJWSNWFCMUMAM-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)C1CC(C)(C)C1	1998648123	BMBWZSKTOTVOAP-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](O)C2CCCCCC2)C1	2000028117	PNDDBWPKWOSFAX-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(=CCCNC(C)C)[C@H]1CCCC(C)(C)C1	2000143433	NIQFLQUOHONQPB-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1CCC[C@H](C)C1	2000210854	DYDWWXDJZWREEF-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
Cc1ccc(C(=O)[C@]2(C)C=CCCC2)cc1Cl	2003333421	CRUAERSDQNNIOQ-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
Cc1cccc(C(=O)CCCCC2CCC2)c1	2003643606	STTYRDMGBKAQTJ-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H](CC)C(C)(F)F	2004475638	GPZJRMAMIITRNF-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)C1(C)CCCCCCC1	2004920398	JRRGFDWMQLUWCR-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](C(C)C)C1(C)CCCCCCC1	2004923706	UDPMUAVMDVEOMJ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CO)CCC1CCCCC1	2005587607	YEPXZIXXLIQAFA-HOCLYGCPSA-N	238.415	4.536	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@H]1CCCCC12CC2	2005591931	LZGVVFXUWIRFGT-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@H](O)C1(C)CCCCCCC1	2006714189	NQQOUCJGVNZTDG-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)C(C)(C)C1CCCCC1	2006724667	BQRJGUQCPXNBLA-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@H]1CCC[C@H]1C	2006757406	CTTSVFOEBJDBIC-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCc1ccc2c(c1F)CCC2	2008648019	GWKGBXZKWJCEOB-UHFFFAOYSA-N	232.342	4.603	0	10	BJAE	
CCC1(CC)CC(NC[C@@H](C)CC(C)(C)C)C1	2009324530	WYQGNIOTVXNGTQ-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N	2009631084	ZYLNMXNLSSYCJT-TXUBFAOLSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@H](C)CC	2010715566	LGZCKQAAOOHDOX-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC(C)C)C1=CCC(C)(C)CC1	2010718168	RHEAGCQTWQFVND-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](O)(CC)CC1C[C@H]2CCC[C@@H]2C1	2011977698	XMBKKLGTOLNLKP-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H]1CCC1(C)C	2014845366	FBPONTVMHCSKJO-IPKOWEFYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)[C@@H]1CCC1(C)C	2014906358	YUGQJYIGUFPRHX-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(O)CCC2(CCCCC2)C1	2015285507	XFFDKDGJBXAKAY-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CC1(CC)CCC1	2015596654	SSJZBFCFFDHGSY-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@H](O)[C@H](CC)CC(C)C)CCC1	2015634203	QNUOLBBDUMBLLN-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)C1CC(C)(C)C1	2016143375	FDGOTNLQMCRDHR-KGLIPLIRSA-N	237.431	4.536	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@H]1CC[C@H](C)CC1	2017647895	JFGQYIKZTQYJMR-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCC[C@H](C)C2)CC1	2017730960	MODNMZQAYHZOLC-LBDPXKHJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCCC(=O)C2)CC1	2017774713	RVZBXIQOPBJLAE-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1[C@H]2CCCC[C@H]21	2018131070	RKZOIJWUWJAUFS-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)CCC[C@H]1CC1(C)C	2018136284	JMYTYBZKJGEEKY-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCC[C@H]1CC	2018138768	KGVPWHPLNZMUQT-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
CC[C@H](CC(=O)CC1(CCF)CC1)C(C)(C)C	2018942325	ULAXFOTUXGDKPJ-GFCCVEGCSA-N	242.378	4.548	0	10	BJAE	
CC(C)CCCCCN(CC(C)(C)C)C1CC1	2019343597	BPSLSIQOVGPMSQ-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCCCC[C@@](C)(O)CCC1=CCCCC1	2019767297	KFWXGRDTGZTIKG-MRXNPFEDSA-N	238.415	4.988	0	10	BJAE	
CCN(C1CCCCCC1)[C@@H]1CCC[C@@H](C)C1	2020506880	XXBMRTRKLWGIKD-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CC[C@]1(CCCCC(C)(F)F)CCCCCN1	2023293857	BQQHCGPILWSOOS-CQSZACIVSA-N	247.373	4.514	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1ccc(C)cc1	2026148782	XGHFEJVNFGNKDB-BBRMVZONSA-N	234.383	4.635	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1[C@@H](C)[C@H](C)CC[C@H]1C	2027793490	MWGRQVBASAYEGQ-RLSLPTNOSA-N	249.373	4.617	0	10	BJAE	
Cc1ccc2c(c1)OC(CC(C)C)(CC(C)C)N2	2027871315	OAMQZEMGILSBQC-UHFFFAOYSA-N	247.382	4.588	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)c1cccc(C2CC2)c1	2028558020	SLAZFSNDHIBGMU-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@H]2CCC[C@@H]21	2028787351	RJLWKERNZDGBEC-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(=C[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1cccc(N)c1	2031801070	KHGCDDWPFKSIEB-NHAGDIPZSA-N	243.394	4.744	0	10	BJAE	
CN[C@@H](CC1=CCCC1)C(C)(C)C1CCCCC1	2032347979	BUOGKVDGDXWNBU-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
NCC1(C[C@@H]2[C@H]3CCCC[C@H]32)CCCCCCC1	2032839376	HMGOUBWNPAZVCT-ZSHCYNCHSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2C[C@H]3CCCC[C@@H]3C2=O)C1	2034264584	QZVRAUBNUIHBTN-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CN[C@H]1CCCC2(CCCC2)C1)C1CCC1	2034361758	DKGGKCRGXASOII-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1CCCC2(CCCC2)C1	2034370678	KRNYSPPOJKQROH-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1C[C@H]([C@H]2CCC(C)(C)C2)c2ccccc2N1	2037696217	XXIIELYHPKSELO-VNHYZAJKSA-N	243.394	4.801	0	10	BJAE	
C[C@H]1CC(C[C@]2(N)C=CCCC2(C)C)C[C@H](C)C1	2037858671	AVLYIYORWJHRNP-CKEIUWERSA-N	249.442	4.523	0	10	BJAE	
CN[C@H](CC1CC2(CCC2)C1)C1(C)CCCCC1	2038084272	XZWDTYBXTJSONF-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H]1CCC2(CC2)C1	2038572444	QBTAZRSNMBBBJK-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](CNC[C@@H]2CC=CCC2)CC1	2039379450	ZRNBPEGRCCEPCP-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
Cc1c(F)cccc1N[C@@H](C)C1CCC(C)CC1	2040632893	JUQVXOMIOPYBGV-QRMWWUJWSA-N	249.373	4.761	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@]1(C)CC=CCC1	2042070728	XYGYPBNVADIYSG-IAGOWNOFSA-N	244.378	4.590	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)[C@H]1C=CCCC1	2043187392	LGURMQGRPWOMEL-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](C[C@@H]1CCC=CCCC1)C1CCCCCC1	2045315303	SFTOYDFUNYKDPH-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)C[C@H](C)C1CC1	2045330369	VPIBQDMSOLWTNT-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1c2ccccc2CN1[C@@H]1CCCC(C)(C)C1	2045530168	WMZQQXHYCPYBQN-UKRRQHHQSA-N	243.394	4.532	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@@H]1CCC=CCCC1	2045732382	HYSWULXNRAWMKG-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C1(C(C)C)CCC1	2045817730	GRGLEXAYPCGHIM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@]1(C[C@H]2CC23CCCC3)CCCCCN1	2047021190	VBLRZZWLZKRXRH-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CC(C)c1cccc(NC[C@@]2(C)CC=CCC2)c1	2047725529	DIVRPFAPLPLLJQ-KRWDZBQOSA-N	243.394	4.968	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@H]1CCC12CCC2	2047939616	OWJMSRJPHWUXQB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](C)Nc2ccc(F)cc2)CC1	2049418828	UTDMBCUTWKKHOO-HSBZDZAISA-N	249.373	4.843	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CC2)[C@@H]1CCCC(C)(C)C1	2049542404	DGEJIDXEVFASKF-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
N[C@@H]1CCCCCC[C@H]1C[C@H]1CC2CCC1CC2	2049677589	DXAOXVSEHJTUCB-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](NC2C3CCCC2CCC3)CC1	2050041596	KBLRJPRJEJVCFM-MOINJDMASA-N	249.442	4.514	0	10	BJAE	
O=C(CCCCCCC1CC1)c1ccccc1F	2050495270	RRKUXTXBVKDSFV-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CCC1(CC)CCC(Nc2cccc(O)c2)CC1	2051594376	SQHXSAKPDJEPQE-UHFFFAOYSA-N	247.382	4.553	0	10	BJAE	
C[C@H](N(C)C[C@H]1CCC=CCCC1)C1(C)CCC1	2052322104	CBNRTWHOEPEELM-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CCNC[C@@]1(CC2(C)CCC2)CCCCC12CC2	2053358913	MENJYFFTUXTVSW-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCC1(C[C@@H](N)[C@H]2CCCCC23CCC3)CCC1	2053411246	IYVAUHZUCCHAFG-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
FCc1ccc(NCCCC2CCCCC2)cc1	2055667358	LNHHLNHWBHMHFT-UHFFFAOYSA-N	249.373	4.929	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H]1CCCCC1(C)C	2056872757	GYXNJRALAWQVKY-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(N[C@H]2C=CCCC2(C)C)C1	2059393666	JGAZQZDCPYZNLB-GPANFISMSA-N	249.442	4.680	0	10	BJAE	
C=C=CC[C@H](CC1CCC(C)(C)CC1)NCCC	2059443841	IUNYYCDWRQTELS-MRXNPFEDSA-N	249.442	4.692	0	10	BJAE	
C=C=CCC[C@@]1(CNC(C)(C)C)CC[C@@H](CC)C1	2061565910	HPNAAFCTEZTYLZ-NVXWUHKLSA-N	249.442	4.692	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2CC(=C3CC3)C2)C1	2061699123	INYYGIKWEJYPRD-SWLSCSKDSA-N	246.394	4.662	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC1C[C@H]2CCC[C@@H]2C1	2063525003	QVOWWNPAGDHWSF-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](NCC)CC2(CCC2)C1	2063629347	ZDBDZGIORDXYIO-CFSAUIFESA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](N)c2cc(C)cc(C)c2)CCC1	2069268330	PPCXCPFZLYXHJI-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)C1(CC2CCC2)CC1	2069564438	RWHNUFXMURMJKU-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC1CCC2(CC1)CC2	2070304392	NNZSYFBURUBXFQ-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CCCC1CCC(C(=O)C[C@]23CCC[C@@H]2C3)CC1	2070920394	CTLXIXCTMJJFMC-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
CCCC1CCC(C[C@@]2(CNC)C=CCC2)CC1	2072798519	KCTHGNYGLQTNRR-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCCNC23CC3)CC1	2072822722	XIOXEGJFSYPXGM-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@](O)(CC)c1ccc(CCC)cc1	2073343402	VKYYHCRVKQGHST-QGZVFWFLSA-N	248.410	4.817	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1C[C@@H]1C1CC1	2079332918	MUQGXYZMEOYKIE-JKSUJKDBSA-N	244.378	4.543	0	10	BJAE	
N[C@H](C[C@@H]1C[C@@H]1C1CCCCC1)C1CCCCC1	2079645204	PQONQDSCBUFGHC-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)C1=C[C@H]2CC[C@H]1C2	2081677480	MSGKGCGGHQZQQL-JKQORVJESA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CC1CC(C2CCC2)C1	2081787978	XIJSUCBMMXQSTP-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](CC2(N)CC3(CCCC3)C2)C1	2082986533	MWCBMYQXFZAZDP-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
c1cnc2cc(CC3CC(=C4CCC4)C3)ccc2c1	2125732802	GSBBZZPKIUMFEK-UHFFFAOYSA-N	249.357	4.668	0	10	BJAE	
CC[C@@H](Nc1cc(C)c(Cl)cc1F)C(C)C	2210736525	GOBHNPKWTKFYTE-GFCCVEGCSA-N	243.753	4.634	0	10	BJAE	
CC[C@H](C)CC(CC)(CC)CN[C@H](C)CC	2212588481	OIPQZOXRGPSMIT-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCCCC1CC1	2214551528	GTEZXZCFOMCXFC-INIZCTEOSA-N	239.447	4.857	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C(C)(C)CC	2214576081	AFLSOFNRXPADJK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@]1(C(C)C)CCC[C@H](C)CC1	2217143495	WYMQNQLJEVNULG-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCCN1CCCC12CCC(C)(C)CC2	2218018789	HVVFKIAUTSGOQZ-UHFFFAOYSA-N	247.426	4.554	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218349057	DTXOBUKSQJGRKL-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218356082	JDAWUVCCIUEGTI-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccc([C@H]2CCCCC(=O)C2)cc1	2218653512	VJAHEGXSKXBRPS-INIZCTEOSA-N	244.378	4.502	0	10	BJAE	
C[C@H]1C[C@@H](CCC=Cc2ccccc2)C[C@@H](C)O1	2219074501	SBDBRWPXUBUSEM-QLPKVWCKSA-N	244.378	4.684	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1ccc(C2(C)CC2)cc1	2220925660	RCWNJMUHACBVNU-UONOGXRCSA-N	243.394	4.586	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)C[C@@]1(C)CC=CCC1	2221602548	QZXPFSIAKFALJN-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2CCCC(C)(C)C2)CC1	2221642091	BJNCABFVVOFCQL-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)CC(C)(C)C)C1	2242770877	TYFDPBBAKGKBLU-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1(C)CC(C)(C)C1	2244779862	FEEBBPXRPAVZIQ-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)[C@@H]1CC12CCC2	2248264020	ZUMPWFYGTXOXSZ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(O)CCCCC[C@@H]1C[C@H]1C	2248871910	RCLSWALLOYEWPB-OAGGEKHMSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCCCC[C@@H]2C[C@H]2C)C1	2248877724	GZXIUGSYMTZNAB-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cccc(C(C)C)c1	2250356373	QMRDSWLSLSYYCT-CJNGLKHVSA-N	234.383	4.670	0	10	BJAE	
CNC[C@@H](CC[C@@H](C)CCCC(C)C)C(C)C	2250491108	NHPIXYIZCOZJEW-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@H]1CC=CCC1	2250526620	FUHMNJNLPUHVFJ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)NCC[C@H](C)CCCC(C)C	2250526912	HFUFEEIPYCAFKM-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
C=CC=CCCc1ccc2cc(Cl)ccc2n1	2252702083	WODHUIHIZFFIHE-UHFFFAOYSA-N	243.737	4.563	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](N)C[C@@H]2CCCCC23CC3)C1	2253812239	YOKULHDGCPOYIC-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@]1(N)CC[C@H]1CCCCC12CC2	2253823981	PLCUHQNQCHZYNT-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](C)(NCC[C@@H]2CCC[C@H](C)C2)CC1	2253950777	GGMXIUZDNTVRKO-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@@H]1CCC12CCC2	2254821827	MKSZLBUIRXXFCE-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)CC[C@@H]2CCCC23CC3)CCCCC1	2255267464	FGNIDKZRTKMRCN-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](CC)CN[C@H](c1ccccc1)C(C)C	2259477140	GPTLUKSVBNZVEW-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@]12CCC[C@@H]1CC2	2260596070	MYVGVBKTQWKYGJ-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC=C[C@H]1N[C@@H]1CC(C)(C)CCC1(C)C	2261395850	RXBKNOHEVYLPQJ-RBSFLKMASA-N	249.442	4.536	0	10	BJAE	
C[C@H](CC1CC1)C(=O)c1cccc2ccsc12	2298887171	QTGCFCRZLCUMPO-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@]12CCCC[C@H]1C2	2300502405	ZUFKIHNYAZRZDL-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@H](C)CC(C)(C)C	2300504510	AYBJNNIBLKSADZ-GDBMZVCRSA-N	241.463	4.993	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H](C)[C@H](C)C(C)C	2301867613	SRVKYKHLRQJIOI-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)CCC2=CCCCC2)C1	2301927062	WHLCTNNXAMSFKB-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1CC[C@@H]1C(C)(C)C	2303475044	JIBXLQHPKGDSFU-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1CC[C@@H]1CCC(C)(C)C1	2304420995	SHPSBIPUOJALFS-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](C)CC(C)(C)CC[C@@H]1CCC(C)(C)C1	2304446862	JKUIZNNTCXXGDH-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)C(C(C)C)C(C)C	2307836174	WTALBZPUPQGEGY-GOEBONIOSA-N	242.447	4.882	0	10	BJAE	
CCC[C@H](CC)CC1(O)CCC(C2CC2)CC1	2307837894	LIVJMBOFHVZGQC-JEYLPNPQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1c(C)cccc1C	2307900069	FCLPUKUUZKSNMD-LSDHHAIUSA-N	233.399	4.520	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)[C@@H]1CC[C@H]1C(C)(C)C	2307902351	KSOMACJWWYEJMQ-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CC(C)(C)CC[C@@H]1CN	2307909699	LEIJJKXXWIZMDM-ZNMIVQPWSA-N	239.447	4.604	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C[C@@]12CCC[C@@H]1C2	2310387257	LYDKWDPTMQIIMV-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)C1CCCCCCC1	2312958916	XLTJNZZIAQDLAL-VNQPRFMTSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1C[C@@H]1C1CC1	2315876895	BNASJJMFWNDNOY-HZPDHXFCSA-N	243.394	4.576	0	10	BJAE	
CCC(CC)CCC(=O)C1(c2ccccc2)CC1	2316270738	IQESNZGLKIDNHW-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)C[C@H]2CCC=CCCC2)C1	2318989039	CCALPKKQPFNMDJ-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)C1)[C@@H](N)c1ccccc1	2319314109	SLTAQGBKHIBPEI-IJEWVQPXSA-N	245.410	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@H]1CCC(C)=C(C)C1	2320330173	WMRPRQGVDSMLME-GVDBMIGSSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(N)CCC(C)=C(C)C2)CC1	2320411747	LJWVVNKVCNQWCM-IRXDYDNUSA-N	247.426	4.731	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H]2CCCCC23CCC3)CC1	2320416360	JQVLHRQYOVKSSQ-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H]2CCC[C@H]2C(C)C)CC1	2320416405	KAIOWPBPLZVPAL-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(NC[C@@H]2CCC(C)=C(C)C2)cc1	2320420611	QPDCJXYJKLCWPM-MRXNPFEDSA-N	243.394	4.797	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CCC[C@@H]3C[C@H]23)CC1	2320421337	UTMAKRGPTCGCDQ-WCVJEAGWSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2(C(C)C)CCC2)CC1	2320422304	GTSICKISRRYLBC-HNNXBMFYSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](NC)[C@@]1(C)CC=C(C)CC1	2320435341	XMQSVZRJHHBGDC-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@H](NC)c1cccc(C(C)C)c1	2320514114	FPJVGADOWOCMCK-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)[C@@H]2CCCC23CC3)C1	2321602557	IWMORUMLAQVUAH-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCN[C@H](c2cc(C)ccc2C(C)C)C1	2327672775	ITUHWSZNPFALGF-PBHICJAKSA-N	245.410	4.569	0	10	BJAE	
CCC1(C(=O)c2cc(C)ccc2C(C)C)CCC1	2327787617	XWLMSJCCZFGVAX-UHFFFAOYSA-N	244.378	4.881	0	10	BJAE	
CCCNCC[C@@H](C)c1cc(C)ccc1C(C)C	2327792118	YRFJUZPHSDDRFG-OAHLLOKOSA-N	247.426	4.612	0	10	BJAE	
CCC[C@H](C)CNc1cccc(Cl)c1Cl	19230307	FKIBUMZDFRHBHB-VIFPVBQESA-N	246.181	4.842	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccccc1F	20520079	DLBSCVINMJUJBB-GFCCVEGCSA-N	223.335	4.597	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccc(F)cc2C)cc1	21518789	BNHJJFKRAIBYFB-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)C2CCCCC2)cc1	21520108	CUMGVOMEVPTVLU-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccccc1COC	36938783	CNFQCICZOLYQJQ-AWEZNQCLSA-N	249.398	4.604	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)[C@@H](C)C[C@H](C)C2	49829117	XDWJVFXHZHUEHS-UWVGGRQHSA-N	237.774	4.544	0	10	BJAE	
CCC(=O)c1cccc(-c2cccc(C)c2C)c1	53327857	PCZMTYVFNLLUHV-UHFFFAOYSA-N	238.330	4.563	0	10	BJAE	
CCCCC1CCC([C@@H]2CCCC(=O)C2)CC1	55168492	IOFFBBPUURIZFD-YMAMQOFZSA-N	236.399	4.742	0	10	BJAE	
Fc1ccc(-c2cccnc2)cc1C1CCCC1	75840677	IWYLLAQZIKSEJX-UHFFFAOYSA-N	241.309	4.545	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C2CCCC2)CC1	86955877	VZTDDURRRWFWKK-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](O)Cc1ccc(C(C)C)cc1	87181892	CJWJWUCLXDGMJC-QGZVFWFLSA-N	248.410	4.684	0	10	BJAE	
CC(C)c1cc2c(c(C(C)C)c1)C(C)(C)CC2=O	94270277	QTLSZWJLCUGYTR-UHFFFAOYSA-N	244.378	4.797	0	10	BJAE	
CCc1ccc([C@@H](NCC(C)(C)C)C(C)C)cc1	109762672	FKBYJEKVLSUFBP-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CCCOc1cc(C)ccc1NCCC(C)(C)C	109909566	LKPSZUIUQLVCAD-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CCCOc1cc(C)ccc1N[C@@H](C)[C@@H](C)CC	109909786	WPVXPOZUUQJJBL-KBPBESRZSA-N	249.398	4.630	0	10	BJAE	
CCCC[C@@H](C)Nc1nc2cc(C)ccc2s1	110425104	OPBPMIKCNMBADX-LLVKDONJSA-N	248.395	4.595	0	10	BJAE	
CCCCC[C@@](C)(O)c1cc2ccccc2s1	127054032	CZPBYRCGRZLVGA-OAHLLOKOSA-N	248.391	4.689	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCCC2CCC2)CC1	133961662	ZGASPYGLDHPCFT-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CNC(C)C)[C@H](CCC)C1	135188169	KIMNGODFWPSMKI-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](N[C@@H](C)C2CCCCCC2)C1	149902817	GTVJAXADGBXNEB-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H](NCCCC1CC1)c1ccccc1	161455286	PTWKJJGEEPRKEM-QGZVFWFLSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C=O)c(-c2cccc3ccccc23)c1	164178919	XRAUBBIZPYLJQH-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(CNC(C)(C)C)C1CC1	164236330	JVFJHZKXAKGVHK-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CC1CCCCC1	166778238	YBQRDHODJFXZNV-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)c1c(C)cc(C)cc1C	167266576	ZUIYRLARNHOIQI-LRDDRELGSA-N	247.426	4.699	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H]2CCC[C@@H](C)C2)c1	221311516	HTEVZRXMZRVTBE-IUODEOHRSA-N	227.351	4.701	0	10	BJAE	
Cc1ccc([C@@H](O)CCC(C)(C)C)cc1Cl	229341260	JVGMCSFLJDBJRX-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CSc1ccc(C(=O)C2CCCCCC2)cc1	229437775	KPCFYCWXANUJTE-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
Cc1ccc2[nH]cc([C@H](C)CC(C)C)c2c1	232627627	CVXSFRSPCOLHNF-GFCCVEGCSA-N	215.340	4.626	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](CCC)CC[C@H]1NC	250815748	JBJZJIAAFCNMLL-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](NC(C)C)[C@@H]1CC[C@@H](C)[C@H](C)C1	252611916	VXZYFMAJWORSAC-FPCVCCKLSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@H]1CCCC[C@H]1CC	253025854	DCDFTZGFERXPNJ-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CCNc2ccccc21	300115661	JDQAXRLAXGMRBK-QLFBSQMISA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C2(C)CCCCC2)C[C@H]1C	300245313	SRNUJKKERCIUHL-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)[C@@]1(O)CCC[C@H](C(C)(C)C)CC1	300472239	YGIVFPIHBFPECU-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CCCC(O)(CCC)CCC1CCCCC1	300769509	PKDZRVARIDDNPJ-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CCc2cc(N)ccc21	302647414	VCQYGROLPPJYHZ-PVUWLOKVSA-N	243.394	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCCC)c1ccc(C)cc1	306001301	KWCOZYGUUUDDRG-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cc2cccc(C)c2o1	306069490	ZTHWQQRZXNRGLY-IAQYHMDHSA-N	246.350	4.601	0	10	BJAE	
CCc1ccc(SC)c2scc(Cl)c12	307714264	DIBURIJTTHIPSD-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCc1ccccc1[C@H](N)[C@@H](CC)CC(C)C	308069032	PSXUJKXHVYWDJO-WMLDXEAASA-N	247.426	4.711	0	10	BJAE	
CCCCCC[C@@H](O)[C@H](C)C1CCCCC1	309487027	GWAFCRUQVUFSHB-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)C1(C)CCCCC1	310152908	PNVXOWCSUXTRMX-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CC2CCC(C)(C)CC2)C1	310520219	NINBFNKAKPVUEE-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)[C@@H](C)C1CC1	311241093	WOZLPSYWQBGDCS-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CC(C)NC[C@]1(CCC(C)(C)C)CCC[C@H]1C	317524493	GFKPIQHOYMVPGF-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](Nc1cccc(Cl)c1)C1CCC1	322766628	DYWBDUKRUJECPU-CQSZACIVSA-N	237.774	4.721	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2ccc(C)c(C)c2)CC1	328228794	CRAWOWXHXFDOJY-SHTZXODSSA-N	244.378	4.703	0	10	BJAE	
C[C@@H](CC(=O)CC1CCCCC1)c1ccccc1	385045279	ZSMYNEKDCWJTNJ-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2CC23CCCC3)CC1	386905065	MMGKRLBKGPYQLX-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
Clc1cccc(Cl)c1NCCCC1CC1	394501603	QSYWTFFJGPTFBM-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CC(C)CCC[C@H](O)C1(C)CCCCCC1	394614620	VLINWZNRPDREEX-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCOc1csc2cc(Cl)c(CC)cc12	396192442	RHGCFJOWCDIDEG-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CC(C)=CCCNc1ccc2ccccc2c1	397736642	GHYSVWNOZNPGRC-UHFFFAOYSA-N	225.335	4.608	0	10	BJAE	
C[C@H](CCC1CC1)NCCCC1CCCCC1	398077447	CCPCGGXSVXERIO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CC1=CCCC1)NC	401129388	SATIFEBXADDRLX-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC/C(=C/[C@@H]1CCCC[C@@H]1CC)CNC(C)C	401741863	JPWVZTNKPCSUJV-WPTSLCKYSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC=C(OC2CCCC2)CC1	687764440	JRPFEBUYQDEOSP-LBPRGKRZSA-N	222.372	4.676	0	10	BJAE	
CCC(C)(C)CCC(=O)Cc1ccc(C)c(C)c1	688965205	PZPOFGYPADDINU-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCC12CCCC2	694350406	LHPVETMHSUOKBP-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCCC[C@@H]1C	696725754	FUWMEUQEIZCCOP-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@H]1CCC=C(C)C	697775512	ZPUKKAMOUASUIL-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@H](O)c1cccc(CC(C)C)c1	703968080	IBBRCYQCSOXRDS-KRWDZBQOSA-N	248.410	4.745	0	10	BJAE	
CCNC[C@H](C1=CCCCC1)[C@@H]1CCCC[C@H]1C	704808637	QYDXYUUZIMDNGZ-DJIMGWMZSA-N	249.442	4.539	0	10	BJAE	
CCC[C@](N)([C@H]1CCCC[C@@H]1CC)C(C)(C)C	704910321	CPWLUTLQNXORFY-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@H](NCC[C@@H]1CC=CCC1)C1CC1	706867968	LLFOSAOIJZTIRC-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(O)C1CCCCC1	709070776	IBASJQMVVJEINL-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
C[C@H](C[C@@H](O)[C@H](C)CC(C)(C)C)CC(C)(C)C	709170767	XOOSHDFXWLFTCY-MGPQQGTHSA-N	242.447	4.882	0	10	BJAE	
Cc1ccc([C@@H](C)NC[C@H](C)CC(C)(C)C)cc1	709188586	NYLPVCUOLBFHQL-HUUCEWRRSA-N	247.426	4.718	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@@H](C)C(C)(C)C	711126138	JQCZTHYDFMTWQF-RDBSUJKOSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)CC[C@H]1Nc2ccccc2C[C@H]1C	711278961	ZKHLTEMZTNZLDI-UKRRQHHQSA-N	245.410	4.876	0	10	BJAE	
C[C@@H](N[C@H]1C[C@@H]2CCCC[C@@H]21)C1CCCCCC1	712471513	XDTJGDRCUPMNEI-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CC(C)(C)CC)CC1	713167753	HXFYHAYQHSKTNS-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714425122	RESCXTKMZXVORP-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@H]1CCCC2(CC2)C1	718545867	IOCNJNXZCLKXGJ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@](O)(CCC(C)=C(C)C)C1CCCC1	718702790	WFSMLSTVJIUVDG-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CC(C)=C(C)CCC[C@H]1CCC(F)(F)C1	718774561	SXWPLNXXRROBRC-LBPRGKRZSA-N	216.315	4.948	0	10	BJAE	
CNc1ccc(-c2cc(C)c(C)cc2Cl)cc1	723898001	LHJQLJXYXXWMCW-UHFFFAOYSA-N	245.753	4.666	0	10	BJAE	
CC(C)(C)C1CCN([C@H]2C=CCCCCC2)CC1	1193438568	YXYIJLRESRXZAG-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
CCC1(CC)CCC(NC[C@H]2CC=CCC2)CC1	1655451796	UBBWBKJACPLIMW-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)[C@H](C)C(C)C	1901668527	RGMRCPXKEUBPHX-QLFBSQMISA-N	228.420	4.636	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Oc1ccc(Cl)c(F)c1	1901681776	HRHBDLTUPMZCTI-ZJUUUORDSA-N	244.737	4.539	0	10	BJAE	
CC(C)=C(C)CC=C1CCC[C@@H]1[C@H]1CCCCN1	1911935176	YOUQOEFFEVLRKX-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
C=CC=CCC[C@@H](C[C@@H](CC)C(C)(C)C)NC	1912116194	BOBXCZGDDKWLEQ-CABCVRRESA-N	237.431	4.559	0	10	BJAE	
CC(C)[C@]1(C)C[C@H]1N[C@H]1CCC2(CCCCC2)C1	1915855462	QQLGTVXFRSHQHP-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@@H]1CC(C)(C)CC	1916055817	KBNADJMKHILAKM-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@H]1CCC[C@@H](C)C1	1919960179	OASSKDSBDNCYRQ-XUWVNRHRSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H](C)CC(C)C	1920193863	MZZRZRNDZMIHEP-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
Cc1cc(C)c(C[C@@H]2C=CCCCC2)cc1C	1925834293	MNLDYQGSZQGGQS-MRXNPFEDSA-N	228.379	4.901	0	10	BJAE	
Clc1ccc(C[C@H]2C=CCC2)cc1Cl	1932592860	MXAKBXJQZJRFMA-VIFPVBQESA-N	227.134	4.502	0	10	BJAE	
CCCCCC[C@H](CCC1(C)CC1)NCCC	1940796834	JPNVHDNBIUWUKX-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC(C)(C)C[C@@H](CCC[C@@H]1CC1(C)C)NC	1940869622	NCEWHPOKXDRBJQ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(CO)CCC=CCCC1	1942655594	JMDFNYKCSQBPDR-HOTGVXAUSA-N	238.415	4.558	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(C(C)C)CCCCCN1	1942659741	JKHIHQRJKMGHFI-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C[C@@H]1C[C@@H](C)C[C@@H](C)C1)NCC	1944201391	BMISZCKMCNTXCG-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCCCC1CC1)C(C)(C)C(C)C	1944672430	NRABZVBLWHRALR-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)C(CC)CC	1944832267	NAKKPZJTUMIKGG-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@H]1CCC[C@@H]1C	1944844943	CZTPRDHQSZAIJD-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)C1=CCCCCCC1	1947516778	WFWWFWLGBTWIMD-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H](N)CC1CC2(CCC2)C1	1949732717	FXEGJYOQYXYUCV-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1c(C)cc(C)cc1C	1950098417	BEEBCBFROCZPCW-HNNXBMFYSA-N	231.383	4.602	0	10	BJAE	
C[C@H](CCC1(CO)CC(C)(C)C1)CC(C)(C)C	1950371018	AVKDHKYJTPHLQB-CYBMUJFWSA-N	240.431	4.638	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CCCC(F)F)CC1	1950915190	YDXLGCWSIDFKEE-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCNC[C@]1(CC(C)C)CCC[C@H](C)CC1	1950923256	SLPDROJDLDLBKV-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1NC1CCC2(CCC2)CC1	1965942459	YGTCLMTTZINWHY-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CCCN(C[C@H]2C=CCCC2)CC1	1966399524	SRFNUGBEAQLVQT-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCC2(CCC2)C1	1968327731	CHPVCMHGBZHKMR-GFCCVEGCSA-N	247.407	4.543	0	10	BJAE	
CSc1ccccc1N[C@H]1CC[C@H]1CC(C)C	1968328281	JQKYWWYQOUTROO-STQMWFEESA-N	249.423	4.645	0	10	BJAE	
Cc1ccc(OCC[C@H]2CCC[C@H](C)C2)c(C)c1	1968395817	BAPPYMJOQFCRES-XJKSGUPXSA-N	246.394	4.899	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1CC[C@@H](C)C1	1975749459	OYHQBIFXBZRACE-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C(=O)c1cc(C(F)F)cs1)C(C)C	1977100477	AMDXIRPAZXUKKO-VIFPVBQESA-N	246.322	4.551	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H]1CCCC(C)(C)C1	1978331166	ZDPMYWZLTIVMMQ-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@@H](C)Cn1ccc2c(Cl)cccc21	1988295264	KUTOMCBMTHFCHL-NSHDSACASA-N	235.758	4.587	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCC1(C)C	1990093256	JBKKBZYPXVZXJA-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H]1CCCC(C)(C)C1	1995834813	HINMDWZRZFFIBB-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C[C@@H]1CC[C@H](C)C1	1996261142	UCDPVCGZVYIMTO-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)C[C@@H]1CC[C@@H](C)C1	1996271918	SYGZEIAMDSJUJQ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(C[C@H]1CCC[C@H]1C)C1CCCCC1	1996545795	CLAKKXKPPUECLJ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](C)C1CCC(C)CC1	1996552703	COWGYRKQMVGCJT-REEZPFQOSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C(C)(CC)CC)CC1	1997116129	JFERISLSBGHUIR-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(O)C[C@@H](C)CC(C)(C)C	1998751254	FQDRZNZFHSGAQA-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]([C@@H](N)C[C@@H]1CCC=CCCC1)C(C)(C)C	1999988549	RHHAEMGTYYKVEY-ZNMIVQPWSA-N	237.431	4.523	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)[C@@H]1CCCC(C)(C)C1	2000034912	VOYFHQJCLFQSPD-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](C1=CCCCCC1)c1sc(C)cc1C	2000334526	FQSDALMOBQRJPY-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
C1=C[C@@H](NC2CCCCCCCC2)CCCC1	2003098602	GYBBTANTSPBCRF-MRXNPFEDSA-N	235.415	4.578	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)CC1(C)CCCC1	2003179321	NBOFNJMVEBOFNU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
Cc1scc(C(=O)C[C@H]2CCC3(CC3)C2)c1C	2003282330	NBJPXIJSQHTQQH-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
CCC1(C)CCC(NCCCC(C)(C)C)CC1	2004341424	KAIUEJKKNRIAGX-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CCC1(N)CCC(C)(CC)CC1	2004342185	QEHMHTLADZRZEE-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)c1cc2ccccc2s1	2006723424	UTAAAKFIDJYWSR-JQWIXIFHSA-N	244.359	4.520	0	10	BJAE	
CC1CCC(C)(C(=O)CC2CCCCC2)CC1	2007683270	MPZWCTKJNCIKIV-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H]1CCCC[C@@H]1CC	2009635832	QYLNSKGOYAKIBC-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C1=CC[C@H](C)CC1	2010620260	BYNKLAJMIZHCQY-IMJJTQAJSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CC(=O)C[C@H](C[C@H]2C=CCCCC2)C1	2012097266	YNYCRRGEAGJJAN-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC[C@](CCCC(C)C)(CNC1CC1)C(C)C	2012410601	ILRQBVDPRHKICQ-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)CC(C)(C)CC	2015282341	UXBPHPQWRUFBOE-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](CC(C(C)C)C(C)C)NCCC	2015290393	JTKHGWDXHYNFLE-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H](C)C(C)C)CC1	2015394445	ODMPAEMWMRVSEU-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@H](C)C(C)C	2015397769	JDLVVWHRYWRWAM-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C(C)(C)CC(F)F	2016017946	ATWYYHUQSAZSAG-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)CCC(C)(C)C	2016143921	HOBIZGCUWASFLU-CABCVRRESA-N	239.447	4.926	0	10	BJAE	
CCCN[C@@H](CC(C)C)CC1(C(C)C)CCC1	2017142980	ZJVAIXMGWXHSSM-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C(C)=C(C)C	2017488004	URHNAVXWEJUVBW-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(O)CCC[C@H](C)C2)CC1	2017653558	UVRXUAWLXDPZJP-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CC1CCC(C)(C)CC1	2017701128	FWUSFAIAPIUBRI-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@H]1CC[C@H](CC)CC1	2017724830	ZPLGPEWOBRYSQA-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C)CCCC1CCC(CC)CC1	2017738548	VQCCPZQRSOWIIL-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CCC2(C)CC2)CC1	2017773122	VYQHYLAPNVIXML-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)C[C@H](C)CC)CC1	2017774940	VMMQJEPONPAZMC-FPCVCCKLSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@H](CC)NCC[C@H]1CC=CCC1	2018127787	NVMXRXQKEOTBQC-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC(C)(C)C(F)F	2018185760	SIYHHBYRTQYXOF-LBPRGKRZSA-N	249.389	4.568	0	10	BJAE	
CCNCC1(CC2(CC)CC2)CCCCCC1	2019004400	UJWQPWBEHQRIJH-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H](C)[C@H](C)N1CCCCC12CCCCC2	2019386139	RJECOQNSDFZHGP-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)[C@H]1CCCC(C)(C)CC1	2019387206	UCPXZIPZJLHFMO-ZNMIVQPWSA-N	239.447	4.712	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCCC(C)(C)C1=O	2020394736	WJRWGEHLRDHILA-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](CCN)CC1CC(C)(C)CC(C)(C)C1	2024102186	QIKQOHGMBRFUPO-CYBMUJFWSA-N	239.447	4.604	0	10	BJAE	
CC(C)C(=O)CCC1CC(C)(C)CC(C)(C)C1	2024103541	ZYXOUEIMUJZQMC-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@@H]1[C@H](C)CCC[C@H]1NCCC	2024509143	FGLFNCWGDIMNBS-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCN[C@H]1CC(C)(C)C1(C)C	2025062700	UIDSLJOGVDOMJE-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1cccc(F)c1	2026081219	JUVZWPAYSLOOIP-GFCCVEGCSA-N	236.330	4.615	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@H]1CCCC2(CC2)C1	2027854454	FFYYFIKWLKISKD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](O)CCCCCC2CC2)c1C	2028619055	NGRSLLHEKNPJAD-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC=CCC1)C1(C)CC(C)C1	2029105014	MNJSXVKOJKEEMV-YZUHTNEWSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@@]1(C[C@H]2C=CCC2)CCC[C@@H](C)C1	2035595611	YWPHGASQJYKUAF-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(CNC2CC3(CCCC3)C2)CCC1	2036538996	MWBGZFHUEOVAFC-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1([C@H](N)CC2CCC=CCC2)CCCCCC1	2037206701	CBYRPXNHWORQSH-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC2(CC1)CC(NCCCC1CC1)C2	2038932324	CAEYHLMTIUGCNZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](N[C@H]2CCC3(CCCCC3)C2)CCCC1	2039039171	OZZMBIHJXWARHE-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@H]2CCCC23CC3)CC1	2039382508	ANQVJLAPSXDKEV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@H](N)CC1CCC(C)CC1	2039434470	JMSFORJJQLKGBD-IEMTVISKSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)C[C@@H]3CCCC[C@@]3(C)C2)C1	2040168124	DTXAUTIBSFWJHC-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2(N)CC(C3CCCCC3)C2)C1	2040170320	VUFOTGPWQHOHDN-QBBMROGASA-N	249.442	4.501	0	10	BJAE	
CC1CCC2(CC1)CC(N)(C[C@H]1CC[C@H](C)C1)C2	2040175528	JMUWKAFBEMKHJZ-YTVKCJQUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2ccc(C)cc2)CC1	2041383117	LLZYUVQDVOQTEQ-LSDHHAIUSA-N	244.378	4.784	0	10	BJAE	
CCCNC[C@]1(CC2CC(C)(C)C2)CC=CCC1	2042093481	HQXIYZWYYLLWJV-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2(C3CC3)CCCCC2)C1	2042948591	KFLMVHWKFNADLY-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCc1cccc(NCC2CC(C(C)(C)C)C2)c1	2043005592	XFJWOYJLCUBTRB-UHFFFAOYSA-N	245.410	4.733	0	10	BJAE	
C[C@H](C[C@@]1(N)CCC2(CCC2)C1)C1CCCCC1	2043612035	LUVLCACNQYCUOC-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H]1CC[C@@H]1CC	2043680112	OMTHXZBOXLGMKQ-BBRMVZONSA-N	245.410	4.720	0	10	BJAE	
CC1(C)CC(C[C@H]2CCC=CCCC2)=C[C@H](N)C1	2045327768	YDILEKUABWHHQX-HOCLYGCPSA-N	247.426	4.587	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C2CC3(CCCC3)C2)C1	2045506127	OVDIRTONKIIBJX-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@@H]2C=CCCCC2)C1	2045556237	UXVHBRXSWLVOFI-IMJJTQAJSA-N	246.394	4.684	0	10	BJAE	
CN[C@H](CCC=C(C)C)c1cc(C)c(C)cc1C	2045744815	WGPWFGDARIMEIS-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2CC23CCCCC3)[C@@H]1C	2047059486	QKANOBIQCTUNIR-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)C[C@@H]1CC12CCCCC2	2047059907	UAXIAGDFLNJNJO-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048472233	XNRHXLBOFQABQN-MUJYYYPQSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@H]1CCCC2(CC2)C1	2049849843	TUXQFPQCUZZIIQ-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
C[C@H](C[C@@H]1CCCC2(CC2)C1)C[C@H]1CCCCN1	2049859201	QGHSCXBDBYJQJM-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCC(N)([C@@H]2[C@H]3CCCC[C@H]32)CC1	2051592410	ARUZQJAJNCSZBT-FICVDOATSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H]2CCCCC23CC3)C1	2053433220	DRJZKOJTLCHGGQ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
F[C@@H]1CCCC[C@H]1Nc1ccc2ccccc2c1	2055158564	HCQGSLIHEFIZMU-HZPDHXFCSA-N	243.325	4.532	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2(C3CC3)CCCC2)C1	2057608870	KLDYGRCQCRVCGK-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C(C)(C)C)CC1)C1CCC1	2061096870	YAVPQAQNLOGLOC-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)[C@@H]2CCCC(C)(C)C2)CC1	2061116324	PBMPOZSCJTZZSC-IMJJTQAJSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC[C@]23CCC[C@@H]2C3)C1	2061575294	QWUYWRGUQGMCGS-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CC23CCC(CC2)C3)C1	2065285783	JMVQKEUDWMAHFT-BUTPEJBISA-N	246.394	4.518	0	10	BJAE	
NC(CCCC1CC1)(C1CCCC1)C1CCCC1	2065936424	FSUMCPLIOYVWTB-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCCC1CC(Nc2cccc(C(C)C)n2)C1	2066348135	YMLDVGIPWJBMJR-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
N[C@H](CC1CCCCCC1)CC1C[C@H]2CC[C@@H]2C1	2068771900	SZKQUOJKKQYNNI-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@](C)(O)C[C@H](C)C(C)C)cc1	2068817324	FXILPTQNIAJVBJ-YOEHRIQHSA-N	248.410	4.700	0	10	BJAE	
CCCN[C@H](C1CC=CC1)C1(C(C)(C)C)CCC1	2071936378	MLQXCOGQNJTGJJ-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)CC1CC2(C1)CC(C)(C)C2	2072085457	ZATLPVVYMHYSKO-OCCSQVGLSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNC2CC2)CCCC1(C)C	2072414498	GOYBXBZJFKBEOA-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(N)CCCC3(CCC3)C2)CC1	2072797792	CNHFQAMWFXHAKN-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@@H]3C[C@@H]3C2)CC1	2072806149	JHVHTNHZATVITD-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC(=O)[C@H](c2ccccc2)C(C)C)CC1	2074598133	WGJKLCGWPIJKGZ-INIZCTEOSA-N	244.378	4.576	0	10	BJAE	
CCCC1(C[C@]2(CNC3CC3)CC[C@H](C)C2)CC1	2074627771	YEGFILQZPVZEDI-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CN(C[C@H]1CC[C@H](C)CC1)[C@H]1C=CCCCCC1	2074797663	SIWDTNXGADJUTN-ULQDDVLXSA-N	249.442	4.633	0	10	BJAE	
C[C@]12CCC[C@H]1N([C@@H]1C=CCCCCC1)CCC2	2074798964	GZCJNAWBNHYPKO-BRWVUGGUSA-N	247.426	4.530	0	10	BJAE	
CN(CCC1=CCCCC1)CC1(C)CCCCC1	2075145913	MXGIQBUCCGAGNS-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CN(CCC1=CCCCC1)[C@@H]1CCC2(CCC2)C1	2075147675	WVKBGQPACVCJKH-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
N=C(Nc1ccccc1C1CCC1)C1CCCC1	2077265552	WAGCMBMNCGKFNC-UHFFFAOYSA-N	242.366	4.533	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@H]1C1CCCC1	2079434515	HVDITBDTYYCCCW-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCNC[C@H]1C[C@H]1C1CCCCC1	2079461059	IMMNDUDEIXPFEZ-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
NCC1(C[C@@H]2C[C@@H]2C2CCCCC2)CCCCC1	2079665293	KEBOTMRLEJMTIB-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
NC1(C[C@@H]2C[C@@H]2C2CCCCC2)CCCCCC1	2079672352	VYTNQKRDUHKVNQ-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc(F)cc1CC	2081944378	ILQLLDMUPNLVPA-HIFRSBDPSA-N	249.373	4.769	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1C=CCCCCC1	2081953566	SBRALGNUHDLORR-OAHLLOKOSA-N	247.357	4.689	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@@H]2CCC[C@@H]2C)c1	2082952308	CBQURFNAUGJXNE-WFASDCNBSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@H]2C[C@@H]2C2CCC2)C1	2082981966	HSLLGDAFAXIXPF-YUELXQCFSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@](C)(N)CC1CC2(C1)CC1(CCC1)C2	2083617792	RCJGOCNPSMBCLQ-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC[C@H](C(C)C)C1	2085239616	DYIFUGOORABQFO-HOTGVXAUSA-N	245.410	4.794	0	10	BJAE	
CCCOc1ccc2occ(C[C@H](C)CC)c2c1	2086606587	UZQNGEOSUHUOKZ-GFCCVEGCSA-N	246.350	4.810	0	10	BJAE	
Cc1ccc(-c2ccc3ccccc3c2)cc1C=O	2098575891	MBFCEUZKKSXXKG-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CCCC(CCC)C(=O)CC[C@H]1C[C@H]1CC	2211599804	HAJYGSVFOBTFDX-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H](C)CCCCCCCCC1CC1	2212445969	IHKDBFBCOZVLFU-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
Fc1cccc(C/C=C/c2ccccc2)c1Cl	2213825187	QETKGDIDRFDBAA-XBXARRHUSA-N	246.712	4.735	0	10	BJAE	
CN[C@H](CCCCC1CC1)C1(C)CCCCC1	2214570345	RHBOTFXRLZTYOW-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](O)CCCCC2CC2)CC1	2214572335	CKNZYUIVPQJJGS-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CCC[C@H](C(C)(C)C)C1	2216255713	FCJQAQGOIDJBLC-HMRWBYCRSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@@H](CCCC(F)F)NCCC	2216405171	BKBPTEQBFIGOOO-LQPUYASZSA-N	247.373	4.536	0	10	BJAE	
CC1(C)CCCN1CCCCCCCC1CC1	2216861446	VINRAHHUCCICHI-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC[C@@H](C)NC[C@H](CC1(C)CCCC1)C(C)C	2217145218	NDRHAEWYIHOXGD-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CCCC1CC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218362327	WKKITAWVLAVETK-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@](C)(N)C/C=C/c1ccccc1	2219088182	OJLFUQDYRFIGOQ-RTGRKSDTSA-N	245.410	4.778	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H]1CCNC2(CCCCC2)C1	2220915474	CDJVEGMQALWNCU-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2220964088	VHKJFVCRFFKPGR-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)CNc1ncccc1C1CC1	2221375367	LUFKYZONMBKEOC-CYBMUJFWSA-N	246.398	4.587	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](NC)[C@@]1(C)CC=C(C)CC1	2221628496	XMQSVZRJHHBGDC-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C=C(C)C)c1ccc(C2CCC2)cc1	2223686988	HXEZNEROGZHUCF-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)c1cccc2ccoc12	2224179717	DHGWFSBXSKFZKD-UKRRQHHQSA-N	245.366	4.505	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1cccc2ccoc12	2224198944	XTZWPKKSWXPXPX-IUODEOHRSA-N	246.350	4.539	0	10	BJAE	
CCC[C@H](C)CC(=O)C[C@@H]1CCCCC12CC2	2246618075	RLYIGHCDISYJFS-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@](C)(O)CC1CC2(CCCC2)C1	2246788063	SMQHCZSDYQFJLB-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)CC1=CCCCC1	2247525226	MNTPZHSUCZGHIZ-MRXNPFEDSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(C)C[C@H](N)CCCCC[C@H]1C[C@H]1C	2248809364	VBAJMSFTFDHMCC-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C(C)(C)CCF	2248854298	OIFPQRDGZJVCFJ-CHWSQXEVSA-N	242.378	4.548	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H](CC)CCC	2250365861	JOWUCAPHMNHQQR-CVEARBPZSA-N	237.431	4.703	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(CC)c(C)c1	2250389272	HWXNCFHMUNPLKT-AWEZNQCLSA-N	233.399	4.796	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1C[C@@H](N)C1(C)C	2250479337	TUGQAZMPIWIIQP-DZGCQCFKSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@@]12CCCC[C@@H]1CC2	2251220192	XCTIPPZEADKNIM-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C[C@H](N[C@@H]1CC(C)(C)CCC1(C)C)C(C)(C)C	2251666829	SEGWECWJMILGJT-QWHCGFSZSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(O)CC(C)(C)CCC1(C)C	2251673819	KLCOAKSYGXQXGC-CJNGLKHVSA-N	240.431	4.636	0	10	BJAE	
CCNC[C@]1(CC[C@H]2CCC[C@H](C)C2)C=CCC1	2253940069	XRMOWMJPZJOMMZ-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
O=C(CC[C@H]1CCCC12CC2)C1CCCCCC1	2255316584	ABKWNGFXHCZOBL-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN[C@H]1CC12CCCCC2	2257314721	ZMYLVNQIGCUETE-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CC[C@H]3CC[C@H]32)c1	2257877641	GPVCKJOWDCRNKI-DAXOMENPSA-N	243.394	4.585	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@]23CCCC[C@@H]2CC3)C1	2260547460	QPPCKYNZXDOMIS-DYVFJYSZSA-N	248.410	4.742	0	10	BJAE	
Cc1c(F)cccc1NC[C@]12CCCC[C@H]1CC2	2260582087	HRZDTILRVWWYFN-XJKSGUPXSA-N	247.357	4.516	0	10	BJAE	
CN[C@H](C[C@]12CCC[C@H]1CC2)C1CCCCCC1	2260586403	HEVWYRZQRKIYMH-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@]12CCC[C@H]1CC2	2260659197	UTHDHTSQSPLDTR-HLLBOEOZSA-N	248.410	4.886	0	10	BJAE	
CC1CC(CCC(=O)CC[C@H]2CCCC23CC3)C1	2261508501	FYABNGAVKZUZAF-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)C[C@@H]1CCC[C@H]1C	2297876522	OVHHDBUEBFYTQU-WCVJEAGWSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@H](N)C[C@H](CC)C(C)(C)C	2300675865	IYNZZAMPWGQQTJ-GJZGRUSLSA-N	241.463	4.993	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@H](C)C1CCCC1	2300683711	MNDNFIWADRIZJW-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)C1CCC(C)(C)CC1	2300704339	QDPPPLMDHDSOHC-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC)CCC[C@@H](CC)C1	2300860265	FOWCTUANJFCJKP-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC(C)=CC[C@H](N)C(C)(C)C1CCCCC1	2300879956	KBEVAYRTDPQUII-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@@H](CC)CCCC1CCCCCC1	2301142810	MYMQCOKLOVNFNZ-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC1CCCCCC1	2301147854	NSOPYFXXCPLLTC-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@H](C)[C@H](C)C(C)C	2301831623	FLPXIPOTWZNQRG-IIAWOOMASA-N	241.463	4.719	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)CC2(C)CCCC2)C1	2302751979	YZEABUAVASFVJJ-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303511683	GWWIEBDULMPCDC-HEHGZKQESA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@](CN)([C@@H](C)CCC(C)C)CC1	2303580720	XLICGRLTOVPREN-JKSUJKDBSA-N	237.431	4.524	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@H]1CCC(C)=C(C)C1	2303597968	WYUNIMGXMXPFIJ-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)CC1CCCCC1	2307827103	UOTWFVZKWCMOIU-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)CN(C)C1CC(C(C)(C)C)C1	2307910636	PAIUSAHMMOJGIL-WLYUNCDWSA-N	239.447	4.569	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](C[C@@]23CCC[C@@H]2C3)C1	2310886589	SJDOHOHBERTMHG-VMUDFCTBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CCC[C@@H]2CC[C@@H]21	2313033438	KBSYNWPCLSIMLK-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)C[C@@H]2CCCC[C@@H]21	2313034769	UUXRXJYWQSQPER-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1cc2ccccc2o1	2316236130	RJGZTINSFNKSJC-CQSZACIVSA-N	246.350	4.683	0	10	BJAE	
CC(=CC=C1C[C@@H](C)CN[C@H]1C)CCCC(C)C	2316537682	RUWGQPZUTURESD-CVEARBPZSA-N	249.442	4.703	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CC2CCCCCC2)C1	2316869857	LJUYHHCSLVBPDI-RRQGHBQHSA-N	249.442	4.667	0	10	BJAE	
C[C@H](CC1CCCCCC1)[C@H](O)c1ccccc1	2316876147	SAHXAPUZFDQXDS-PBHICJAKSA-N	246.394	4.717	0	10	BJAE	
COc1c(C)cc(N[C@H](C)CCC(C)C)cc1C	2317377508	NOMCYFUCTKRKMS-CQSZACIVSA-N	249.398	4.549	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](O)c1ccc(C2CC2)cc1	2317839981	UUCDIALLDPQJEV-DCGLDWPTSA-N	246.394	4.526	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@H]1CC[C@H](C)C1	2317927287	JILUJOFRISPGIC-STQMWFEESA-N	249.373	4.797	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H](C)[C@@H]1CC1(C)C	2317935061	YKAFEJYNYYAFQR-RISCZKNCSA-N	249.373	4.796	0	10	BJAE	
C1=C(CCCN[C@@H]2CCCC23CCC3)CCCC1	2318521189	FVKUEBGXAOXHMN-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CCCc1cccc(C(=O)CCC[C@@H]2C[C@H]2C)c1	2318930591	ARPWRMOODMPHGG-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C(CC1CC1)CC1CC1	2318930697	OEPSHNFYOPTWFF-DOMZBBRYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(CC(CC[C@]3(C)CCCCN3)C2)C1	2318940284	AZLOKQLGNSOYKY-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC[C@@H]3C[C@@H]32)c1	2319251829	HYTAOWDOSZNDAE-HYVNUMGLSA-N	243.394	4.801	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1CC[C@H]1C1CC1	2319581332	PFFRKLIGSLTDSW-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CCCC[C@@H]2C(C)C)CC1	2320238378	UJUVROOGPRFXKR-ZACQAIPSSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)C1(C2CCC2)CC1	2320259209	RVZWFCUDMNZLBZ-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CC(C)(C)C[C@@H]2C)CC1	2320338484	VYGVVNOIGPNCRN-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
C1CCCC(CN[C@H](CC2CC2)C2CC2)CCC1	2320513483	JNJBLAXPSZWRSS-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCCCC23CC3)C1	2321650296	SRACEJYGUJHVJM-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)CCc1ccccc1C	2328270090	WIBYEEPGRUWEOV-DOTOQJQBSA-N	248.410	4.505	0	10	BJAE	
CC(C)CCCCCCN[C@@H]1CCC[C@@H](C)C1	20019374	MUCJCXRZSXKDQT-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cccc(C)c1	21012693	YVNPFVYXCAQJDV-GXTWGEPZSA-N	219.372	4.622	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccco1	35136971	UBPLTZURMZMLER-MELADBBJSA-N	249.398	4.535	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)CCCCC	36792251	ZCVXNXGWTPFYGS-GJZGRUSLSA-N	227.436	4.904	0	10	BJAE	
CC[C@H](C)CN[C@@H](C)c1ccc(C(C)C)cc1	37044389	YAXVAELRWNCTKV-KBPBESRZSA-N	233.399	4.507	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@H](C)C1)c1ccccc1	37249085	INDTZGVJOJSOOG-UAGQMJEPSA-N	245.410	4.696	0	10	BJAE	
CCc1ccc([C@H](CC)N[C@@H](C)CC(C)C)cc1	37260285	QPXIMTJTNXMGOC-YOEHRIQHSA-N	247.426	4.724	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](C)CCC1=O	71083857	PYRJCINRTYRCBL-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)c1cc(C=O)sc1CC(C)(C)C	75957143	DTFHQJKRPZKYHE-JTQLQIEISA-N	238.396	4.663	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCCC(C)(C)C1	79971125	FJEPGLMFTSJLNF-CYBMUJFWSA-N	235.346	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC1C[C@@H](C)C[C@@H](C)C1	84974141	GINYFYJRKXBWSL-FIZKIRAISA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@H](C)[C@@H]1C	85111127	RCPYMEWUWPYWAG-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CC1=C[C@@H]2C(=C(C)CC[C@@H]2C(C)C)CC1	85600726	FUCYIEXQVQJBKY-HIFRSBDPSA-N	204.357	4.725	0	10	BJAE	endogenous,in-man
CC[C@H]1CCC[C@@H](C(=O)c2ccc(C)cc2C)C1	87984388	FVVWKNPZNZCAHU-LSDHHAIUSA-N	244.378	4.703	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1snc2ccccc12	90869196	YGWZTKWSQZDBGO-LLVKDONJSA-N	248.395	4.533	0	10	BJAE	
C/C=C\C[C@H](CC)c1ccc(OC)c(Cl)c1	107535839	YNNUPXCLAKPREO-QZPNVGJNSA-N	238.758	4.808	0	10	BJAE	
CC/C=C\C[C@H](C)c1ccc(OCC)cc1	107572075	MISULNWABCLLMY-FWWRYZNZSA-N	218.340	4.545	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1ccc(C)cc1	109718325	RDTCGCOUVJLTQP-HOCLYGCPSA-N	233.399	4.601	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1CC1CCCC1	112869552	QEVRHRFLIVFABY-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
C1CCC(C[C@H](CNC2CC2)C2CCCC2)CC1	128295810	AQVPGKBSLKQVOJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1ccc(C2CCC2)cc1	128699206	VIFGUGJVOUCDST-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H](C)COc1cc(C(C)C)ccc1C	130403388	VYJUMGIVFIYPLI-CYBMUJFWSA-N	234.383	4.933	0	10	BJAE	
Cc1ccc(N)cc1-c1ccc(C(C)(C)C)s1	132079907	PLHADLWZMSDBEJ-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CC[C@H](C)c2ccccc21	136965010	KNMGQIUOIDPXLL-GRDNDAEWSA-N	245.410	4.793	0	10	BJAE	
CCCC(c1ccc(F)cc1)c1ccc(F)cc1	139056211	FGKZNFWEOAMJJA-UHFFFAOYSA-N	246.300	4.897	0	10	BJAE	
CN[C@H](CCCC(C)C)c1ccc(C(C)C)cc1	165792857	UZVTVHOAGYDFQX-QGZVFWFLSA-N	247.426	4.897	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NCC)[C@@H](CCC(C)C)C1	217720048	ZDDHQJSKOMCKEQ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1N	221681887	NFEXGEHKTJTODI-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)c1cccc(C)c1C	225411879	LNSJQVAZXKRYTQ-OIISXLGYSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H]1CCC[C@@H](C)C1	225984202	PKEBWRWJPMWQBP-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H](C)N[C@H]1CCC[C@@H](C(C)(C)C)CC1	226551126	ULCUCNUUXCBBHC-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CCCCC1(C)C	226818798	UVKBSRWQZASTNA-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@@H]1CCCCC1(C)C	226879909	JHKVOHOILHFWPC-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@H](NC)C2CCCCCC2)CCCC1	229149405	CQDSAKOEYMAPSY-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1ccccc1C(C)(C)C	229339756	WYKXSNCXKHHBJV-HNNXBMFYSA-N	248.410	4.844	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)c1csc(Cl)c1	232998422	NWDBZBSKNPDBGW-UWVGGRQHSA-N	245.819	4.631	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@@H]1CC[C@@H](C)C1	233563034	RZEKKBXNYFCOFX-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H]([C@H]2CCCC[C@H]2CC)C1	252613678	XMSWTJVWTISUGA-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@H]1CC)C(C)(C)CC	253046096	PODYZDAZRDQZGZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)SCc1csc2c(F)cccc12	257854020	CPJMOTUVTPLXBZ-UHFFFAOYSA-N	240.368	4.682	0	10	BJAE	
CCC[C@H](NC[C@@H]1CC[C@H](C)C1)c1ccccc1	300309800	ODEQJENBXHIQQG-UXLLHSPISA-N	245.410	4.554	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCCC(C)C)NCC	300952077	PCZCOOGWBLMRGD-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCCC(C)(C)C)C1	304149286	OHUVOMDEFUXXGW-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1CCCC(F)(F)C1	304218288	SIZKLGCKHZDGDD-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccc(C2CCC2)cc1	305939239	AXLZFPZTINWOTC-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)[C@@H](C)C(C)C	305955730	NTWKXESZNDAISC-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)c1cc(C)ccc1C	308000023	OTOLQFKQZSOJQP-RDJZCZTQSA-N	248.410	4.799	0	10	BJAE	
C[C@H](Nc1ccsc1Cl)c1ccccc1	309123232	OPHYDPLTZRFZEH-VIFPVBQESA-N	237.755	4.575	0	10	BJAE	
ClB([C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1C2	309351767	FIZRDRGODZJEDW-LQSBQDLSSA-N	236.595	4.597	0	10	BJAE	
CCC1CCC(N)(C[C@@H]2CCC[C@@H](C)C2)CC1	310186093	XOCIIKLDDKNZBT-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@]1(O)CCCC(C)(C)C1	310897465	AIDCGAKZNPDWKZ-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C(C)(C)C(C)(C)C)cc1C	311170813	QJBSTFKQAJAMDB-OAHLLOKOSA-N	248.410	4.718	0	10	BJAE	
CCNCC1(C2CCCCC2)CCCCCC1	317286487	KPOYOESQERCTTA-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC[C@H](C)C1(CNC2CC2)CCCCCC1	317951158	QKZIDPKVSYYVPL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC(C)C)CC[C@H](CC)C1	318069977	MLOZKRHIQVQFSK-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C1CCCCCCC1	319519302	AKJXGXQPXWOCNE-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)CCC2CCCC2)C1	379998462	WYXNWFYCYOGRGC-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](C)CC(C)(C)CC1CCC(C)CC1	380133272	DYRWMBVOGGKBTP-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@](C)(O)C[C@H](C)C1CCCCC1	383706800	WJIUHZOIGPBAHK-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCC1(CN[C@H]2CCC[C@@H](C)CC2)CCC1	391826310	XFFGFNVEZWAGSF-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC1(NC[C@@H]2CCCC[C@@H]2C)CCCC1	394864537	SPTWVOILYOWWGY-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C1CCCC(=C2CCC[C@H]2[C@@H]2CCCCN2)CC1	395087602	SMUWAALQQDTQHU-SJORKVTESA-N	247.426	4.579	0	10	BJAE	
Cc1cc(F)cc(NCCCC2CCCCC2)c1	395182297	RUGFVOWUYXSFCD-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
Cc1ccccc1NCCCC1CCCCC1	395267426	NRCRKQMLAWIBCI-UHFFFAOYSA-N	231.383	4.767	0	10	BJAE	
Cc1csc2c(S)cc(C(F)(F)F)cc12	396312188	YUHJRRNPVVFWBO-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CSc1c(C)sc2c(C(F)F)cccc12	396399950	BVLQZKBCGKYHTM-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](Nc3ccc(Cl)cc3)[C@H]1C2	400420541	ODEIKEVAMDGUTP-ZLKJLUDKSA-N	249.785	4.577	0	10	BJAE	
CCC[C@H]1CCC/C(=C\Br)CC1	606288455	QGQRGLFGTFQQOL-SPQRFVMMSA-N	231.177	4.646	0	10	BJAE	
C[C@@](O)(CCC1CCCC1)CC1CCCCC1	689729530	VNLWVYGUNQXAAK-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@@]12CCCC[C@H]1C2	693184743	RQOWHUJHGGVLBC-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](NCC[C@@H](C)CC)c1ccccc1	696177191	SVNQBGBJZSUWAX-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@H]1CCCC[C@H]1C	696679396	SMDDYLJRAYBFQS-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCCC=C(C)C)C(C)(C)C	697766038	BKXMVDITDOXNGU-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1cc(C)cc(C)c1	697775282	SSUSXHXHESQMRH-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CC(C)=CCCc1cccc(Cl)c1Cl	698083123	IRUGCUNIVZEZJC-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
CN[C@H](CC1=CCCC1)[C@]1(C)CC[C@@H](C)C1(C)C	699116925	UDTRXBDFZFICFE-UNEWFSDZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](N)(CC)c1ccc(C)c2ccccc12	707568191	JUBYVTFWKVJJNA-KRWDZBQOSA-N	241.378	4.512	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CC[C@H]2CCC[C@H]21	707855600	DFMUFNXDXXOPKJ-LALPHHSUSA-N	249.785	4.639	0	10	BJAE	
CC1CCC(C[C@H](N)[C@@H](C)CC(C)(C)C)CC1	708314506	LMCPCEKZDROSKH-SHWKFHJASA-N	239.447	4.602	0	10	BJAE	
CCCC(=O)CCC[C@H](C)CC(C)(C)C	709216097	YXFKGYQUONVJJV-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@H](C)CC(C)(C)C)C1	709271066	IMDZEIMJFKJMPI-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](CC(=O)C[C@H](C)CC(F)F)C(C)(C)C	711118127	IDEFYUMNNCCNMG-WDEREUQCSA-N	248.357	4.699	0	10	BJAE	
CCC(C)(C)C1CCC(NC[C@H]2C=CCC2)CC1	711687996	UIOLSUZYZFTIDC-FHERZECASA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@H]1C[C@@H]1C1CC1	712947056	NIUMYYCLHURGEV-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CC[C@H](C)c2ccccc21	713245197	SQESHXPICLPWFJ-SUMWQHHRSA-N	245.410	4.564	0	10	BJAE	
C/C=C/C[C@H](C)c1c(C)cc(C)cc1C	714540416	NHYWLKPDPXEXPK-SYTKJHMZSA-N	202.341	4.682	0	10	BJAE	
CC(C)c1ccc(NC[C@]2(C)CC2(C)C)cc1	717126164	RHNNTFCRHGQHAD-INIZCTEOSA-N	231.383	4.658	0	10	BJAE	
CC(C)=C(C)CCc1cc(Cl)cc(C)c1O	718567404	JJKDJMORNTUKNN-UHFFFAOYSA-N	238.758	4.643	0	10	BJAE	
CC(C)=C(C)CCC[C@@H]1C[C@H]2CC[C@H]1C2	718773412	PEUDEFPLSYDKHO-KFWWJZLASA-N	206.373	4.949	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCCC2(C)C)cc1F	719263044	WHGVCOIMOGIJBJ-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
CC[C@H](CC1CCCCC1)Nc1ccc(C)nc1	720990208	PTDMJMIAANLLFZ-OAHLLOKOSA-N	246.398	4.551	0	10	BJAE	
CCC(C)(CC)[C@@H](CCCC(C)(C)C)NC	721772957	OAQJARCUTXCEDF-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](N[C@H]1C[C@H]2CC[C@H](C2)C1)C1CCCC1	1206246986	COMKCQYSBXABAF-YALNPMBYSA-N	249.442	4.514	0	10	BJAE	
Nc1cccc(-c2ccc(C3CCCC3)cc2)c1	1243491129	DJKIFSGZBYNUHM-UHFFFAOYSA-N	237.346	4.593	0	10	BJAE	
CC[C@H](C)S[C@H]1CCCc2ccccc21	1307292257	FPESJUHBPDIHDV-FZMZJTMJSA-N	220.381	4.596	0	10	BJAE	
CC(C)Cc1ccc(CSCC2CC2)cc1	1656588659	CHXVEXSAKVSKJI-UHFFFAOYSA-N	234.408	4.528	0	10	BJAE	
FC(F)c1cc2ccccc2cc1C(F)(F)F	1848365854	BWTCPRSPZRBSBZ-UHFFFAOYSA-N	246.178	4.796	0	10	BJAE	
CC(=O)CC(C)(C)C[C@@H]1CCC(C)=C(C)C1	1902845482	CFUJVMSMPNEGJA-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CC=CCc1ccc(CCCCCC)cc1	1905219478	IPOJUHJBNSCWLP-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC[C@@]12CCC[C@@H]1C2	1908420817	PEIZNKSNXFGOSU-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)CCC[C@@H]1C[C@H]1C)CC(C)(C)C	1908535466	PCTUOYIKYIQSQW-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1C[C@H]1C1CCCC1	1910662276	DQYYXKGZNUTUOQ-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCNCC(=CC1CCC(C)(C)CC1)CC	1911535080	TZLUQRCOXZBSQU-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H](C)C1CCCCC1	1919539367	SBTNJCMKCAAREF-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
Cc1ccc([C@](C)(O)[C@H](C)CCC(C)C)c(C)c1	1919920681	RVUABBJUXJWXMA-NVXWUHKLSA-N	248.410	4.583	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1CC(C)(C)C1	1919973581	IKXRZLAYDCRWCY-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@](C)(N)CCCC1CCC1	1920190922	WLDJFOFYUUXDKM-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCc1ccc([C@](N)(CC)CCC(C)(C)C)cc1	1920448987	LLCIIWHQZJTVAG-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC1(C)C[C@H]1CC[C@]1(O)CCCCCC1(C)C	1921497414	RYESIHXNYMJGEL-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cnc(-c2csc(Cl)c2)s1	1924574632	ODQLFMUGIXEBKU-UHFFFAOYSA-N	243.784	4.648	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@@H]1C=CCCCC1	1925775737	WZVFMHUNIVJKJI-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CSCc1ccccc1C[C@@H]1C=CCCCC1	1925825809	WTADNKSVFNHBQW-CQSZACIVSA-N	246.419	4.839	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)[C@@]1(C)CC1(C)C	1925890895	HSTUTXIBNPHTQJ-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(Nc2cccc(Cl)c2Cl)C1	1932139265	PTVSNZVTVNJWCH-UHFFFAOYSA-N	244.165	4.594	0	10	BJAE	
Cc1cccc(C)c1OCCC[C@@H]1CC1(C)C	1940872591	NLGIHZLARXZDPM-CQSZACIVSA-N	232.367	4.509	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@@H](CCC)C(C)C	1941262251	BELJWSMVGJHOHH-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](C(=O)CCCCCC1CC1)C(C)C	1941580462	AEUWSVPGQOQBHP-OAHLLOKOSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)CC2(C)CCCCC2)C1	1941984807	ZJQHYSZCFMZBOF-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)C[C@@H]1CCC[C@H]1C	1944837961	VXGXZBYHYVFVKK-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@H]1CCC[C@@H]1C	1944849523	NBWPBIQCKUHDLR-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
C1=C[C@H](CC[C@H]2CCCc3ccccc32)CC1	1947553386	XPZZQMAWYDZJAT-GOEBONIOSA-N	226.363	4.853	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C=CCC1)C(C)(C)C	1947594476	YBZHDPUODURKEV-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CC([C@@H](CCC(C)=C(C)C)NC)C1	1948406654	CYMQDQQWDBWPPQ-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CC=CCC1)NCCC	1948429273	PPKIXBLCEYWSLT-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC1CCC(C)CC1	1948932634	ORTDOOCDSABRMB-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
N[C@@H](CCCC1CCCC1)CC1CCCCC1	1949917505	PFUVDXIUYVJEJL-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC12CCC(CC1)C2)NCCC	1950960374	WNRBPOVTDJQICY-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CCC[C@@H](CC)C1	1963238399	RIAKDWGTCCUJFM-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2C[C@@H]3CCCC[C@@H]3C2)C1	1967696407	MDMMBJIOQQVADM-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CC3(CCCC3)C2)CC1	1967708617	RMGIXVMJJKMPQB-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCCC[C@H]1NC1CCC2(CCC2)CC1	1967790601	KARHIMORXVYNCI-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CCCCC1CC(N[C@H](C)CCCC(C)C)C1	1968309517	MPTCGKNRDCQFFO-QQFBHYJXSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)c(F)c1	1968326175	DCWADUFQASNQOF-BTTYYORXSA-N	247.357	4.515	0	10	BJAE	
C[C@H]1CCc2ccccc2N1CCCC(C)(C)C	1968429485	DUETXHXIQTXNJF-AWEZNQCLSA-N	245.410	4.654	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCCCC23CCC3)c1	1968596708	UWUDXKYRBKTJGC-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CC1(C)C[C@H]1CCN[C@H]1CCCCC12CCCC2	1970801233	GWUMGHZIXJCJAT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@H](C)NC1CCC2(CCCCC2)CC1	1970898362	VSLSGDMHTXUYSO-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)c1csc([C@H]2CCC2(C)C)n1	1987954204	FMRCCCMNVQKJEI-SNVBAGLBSA-N	237.412	4.734	0	10	BJAE	
CC(C)CC(=O)CCCC(C(C)C)C(C)C	1988297978	SKRXGJVVUFSIBM-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CCCN[C@@H](CCC)CCC[C@H](C)C(C)C	1988309572	MCZJQWHULDTVHG-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H]1CCC[C@@H](C)C1	1990092051	UVBWWMDWIBHUDM-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@H]1CCC1(C)C	1995215748	YNZKUWUUGXIPAU-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](Cn2ccc3cccc(Cl)c32)C1	1996232294	ODWCHQIVFCQLLL-NWDGAFQWSA-N	247.769	4.731	0	10	BJAE	
CCCNCC(CC)(CC)C[C@H]1CC[C@@H](C)C1	1996273113	YFIQDUGQDUQXKM-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H](C)CCC(C)C	2000195600	VKOXPXBMAFDBJX-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CCC(CC)(CC)[C@@H](CCCC(C)(F)F)NC	2000331157	DGBFYPMKVAHMAS-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@H](C)N(C)C[C@H]1CCC=CCCC1	2000894261	FIPQCIIHFYEQQI-HOTGVXAUSA-N	237.431	4.633	0	10	BJAE	
CCCC[C@@](C)(CNCCC)C1CC(CC)C1	2002337721	XJKAJOIBGDJQOS-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)[C@H]1CCCC(C)(C)C1	2002971698	IERHBRUMDDHDSN-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CCCC2(C)CC2)C1	2002975000	VQBKBMRKXUQCCY-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H]1CCCCCCC[C@@H]1N	2003112015	QOGRFTHHLTWGFU-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(O)(C[C@H]2CCC[C@H]2C)CC1	2004352481	LQROFIBVGXFKBY-WXLSXGNJSA-N	238.415	4.534	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H]1CCCC[C@H]1CC	2007852647	GCWJECXBIDRYKL-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)[C@@H](C=C1CCCCC1)NCC	2007937629	PSVIBDHEYNIAEJ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1(C2CC2)CCCC1	2008483393	OQGCCERBXWUROX-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](CC)CC[C@H]1NCC	2009619724	NYOOLCHGGNVIOB-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NC)C1CCC(C)(C)CC1	2009633810	BYGDVPQUECWSTP-LLYBFZRZSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H]1NCC[C@@H]1CCC1CCCCC1	2009770351	ODPRBGOAWYKOSB-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCn1ccc2c(Cl)cccc21	2011565799	UDUUAYBCAMHKRT-RYUDHWBXSA-N	247.769	4.731	0	10	BJAE	
CC[C@](CNCC(C)C)(C(C)C)[C@H](C)C(C)C	2012421257	JVJANOMYAHHIKP-CVEARBPZSA-N	241.463	4.577	0	10	BJAE	
CC[C@](CCC=C(C)C)(CNC(C)C)C(C)C	2012426058	LGLJNWFEBNIOTD-INIZCTEOSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@@H](C)C(C)C)NCC	2015267854	BYNBEZZONUFUPS-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](CNC(C)(C)C)C[C@@H](C)C(C)C	2015399573	OFTXCLWBWZNFDB-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@@](C)(N)CCC=C(C)C)CCC1	2016118820	DAFQTMUQQGTRHX-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
CC(C)(C)C1(C[C@]2(C)CCC[C@@]2(C)O)CCC1	2017117135	RRWKLQAFTVDCOP-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C[C@](C)(O)C2(C)CCCC2)CCC1	2017118163	DEDUAXFXRQJRFV-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC1(C(C)C)CCC1)C(C)(C)C	2017145223	HOSHAVQZEVNQKZ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)CCCC2(C)C)CCC1	2017147291	BEEFCYALESVBEC-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@](O)(CC)C(C)(C)C)CC1	2017651769	YDKGQHIOWFABCQ-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)C[C@H]1CC[C@H](C)CC1	2017657334	MLOMGUOWHCPEAD-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CCC2(CN)CCC2)CC1	2017732435	BADHTHFKVJGEBV-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C1CCC1)C1CC1	2018128241	XOYHKPCONQPYRD-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H]1CC[C@H](C)CC1	2018135096	VPACNIKQYBBCSK-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCCC(C)(C)C2)CC1	2018926284	ZBTYSIZPKFUAJM-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)N(C)CCC1CCCCC1	2019198431	HSTPBHLMMCWRHE-MRXNPFEDSA-N	239.447	4.857	0	10	BJAE	
CCCCC[C@@](O)(CC)CCC[C@H]1CC1(F)F	2019567873	APQWJUWGWWKQHK-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CN[C@@H]1[C@H](CCCC(C)(C)C)CCCC1(C)C	2020361438	PRMJZDJYNKSBJT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@H]1CCCC(C)(C)C1	2020971620	MLDBIUSOYRPYRM-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1C[C@@H]1CCC)NC	2022483015	HQEDPFBSYVOLDG-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC[C@@H]1C[C@@H]1CCC)NCCC	2022495812	MHMJIOXTAPOCEC-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)[C@H](N)CC1CC(C)(C)CC(C)(C)C1	2024093145	YVPHGDYUXNZWLW-TZMCWYRMSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)CCCC2CC2)C1	2024093429	BMUCHNJIRAKVKF-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](O)CCC1CC(C)(C)CC(C)(C)C1	2024120993	ARVJSGKPRYSFAE-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H](C(C)C)C2)c1C	2025571849	IRIGXBYOEZNRAQ-HUUCEWRRSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CC1(C)CCC1)NC	2026163332	JXQGDQJMGSOWEW-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CCN(C)C[C@@H]1CCCC2(CC2)C1	2027023741	OWWPOCFKMYKLDL-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC1(C[C@]2(N)CCCC[C@@H]2C2CC2)CCCCC1	2027308892	KHMXHLMMMMUCNC-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CC1CC(CC2(CNC3CC3)CCCCCC2)C1	2027592427	DFECETQFIMSUNV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@H](N)c2ccc(C(C)(C)C)cc2)CC1	2027732157	KZQVSKQTVOUWNT-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
Cc1cccc2c1ccn2CCC[C@@H]1CC1(C)C	2027833329	PCHRAYOAPVGIBG-CQSZACIVSA-N	241.378	4.776	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1CC[C@@H]2CC[C@@H]21	2027997289	ZUTWNUADLBWZSB-BHYGNILZSA-N	241.378	4.555	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)C1(C2CC2)CC1	2028105014	KOSCVJOOEIVTRH-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC(C)(C)C)c1ccccc1C1CC1	2028550003	RNSOPQHERFTWAQ-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCC[C@](O)(c1cccc(C2CC2)c1)C(C)(C)C	2028551221	CZBJLXKEKLZQRA-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCC1CCC(N[C@@]23CCCC[C@H]2CCC3)CC1	2031797877	HLHUKPJMAXAMOB-ODZFXCKXSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(N)CCC2(CCC2)CC1	2032251281	JWFHZYOVNLSGRF-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CC[C@@H]2CCCC[C@@H]21	2034265738	VTOFAESURNPSQF-HEHGZKQESA-N	247.357	4.515	0	10	BJAE	
CCCC[C@H](NC1CC(CC)C1)c1ccccc1	2034970377	SNAZWSGFPIPOLG-PREGVCBESA-N	245.410	4.696	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCC1)C1(C)CC(C)(C)C1	2035593046	OSISDSZIEVQPKX-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc(C(=O)C2CC(C)(CC)C2)cc1	2036479249	ZSAAHNLTARTZIZ-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCc1ccc([C@](C)(N)C(C)(CC)CC)cc1	2037216187	BETXWTZOWLMIGX-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@@H]([C@@H]2CCC3(CCCC3)C2)C1	2037686445	MBZBSKULAGLISH-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@@H]1C[C@H]2C[C@H]2C1	2038329573	CECSMYCTWZVXBO-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1(N)C[C@H]2CCC[C@@H]2C1)C1CCCCC1	2038626812	RTOCCBYHONXDNG-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N)(C1CCCCC1)C2	2038941080	QHJJUBPFFRXGIA-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC23CCCCC3)cc1C	2039058333	LZEDHGUKYSASFQ-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCC2(CCCCC2)C1)C1CC1	2040767644	VEKQMDYVVSUOJL-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCC[C@]1(C)N[C@H]1C=CCCCCC1	2041841125	DVUGLHXYYSLLJS-RDJZCZTQSA-N	249.442	4.824	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1N[C@H](C)CC1=CCCCC1	2043187765	OGMGZBOABDVUES-PVAVHDDUSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)[C@H]2CCCC3(CCC3)C2)C1	2045519857	LCJGSIYKJKVNCR-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC1(CN[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCCCC1	2046485808	HJYOHILELNOEDX-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2[C@H]3CCC[C@H]32)cc1	2048457110	GJCBVCOTQOGHEU-KKBVYLPWSA-N	243.394	4.658	0	10	BJAE	
NCC1(CC2[C@H]3CCCCC[C@H]23)CCCCCC1	2048489187	WHOFYDPNYHEVRL-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H]1CCCCCCC[C@H]1C[C@@H]1C=CCC1	2049706086	YACHQNLJAWTMMR-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)CC1CCC2(CC1)CC2	2049860246	SCFDXNZQCCUUQS-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@@H]1CCCC2(CC2)C1	2049935242	GWVZRNGPDRUDCS-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CN(CC1(C)CCCCC1)C[C@@]1(C)C=CCCC1	2049973149	OOELQDREXXUYIQ-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)[C@]2(C)C=CCC2)CC1	2050001612	ZTUYXZQCKXVTML-UMPYDWHISA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CCCCC1CCC1)c1ccco1	2050523367	SHJPDOCMSUOYSC-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CC1(C)CCC[C@H](N2CC=CC23CCCCC3)C1	2051892133	NQASBCFKCQLVPE-HNNXBMFYSA-N	247.426	4.530	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C1(C2CCC2)CC1	2051909085	QPKUFMMQZVDQFN-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](NC)[C@H]2CCCCC23CC3)CCC1	2053412315	OPZKDMOXDWFQPF-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC[C@@H]1CCCCC12CC2	2053429671	GDPGJYNXQHILSP-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@H](O)C1(C)CCC(C)(C)CC1	2056558664	IYDUFSZGVKXTGV-HNNXBMFYSA-N	246.394	4.635	0	10	BJAE	
CCCc1ccc(NCC2CC(C(C)C)C2)cc1	2056732465	XGAAXTLRFGHIGC-UHFFFAOYSA-N	245.410	4.733	0	10	BJAE	
CC=C(C)[C@@H](NCCC)c1ccccc1CCC	2056780428	QKHHYHBAMGSMGK-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)CC1CCCCCC1	2056875101	CSNGYZDEDYVBOD-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
F[C@@H](CNc1ccc(C2CC2)cc1)C1CCCC1	2058036327	SYWOSOHUXBETAS-INIZCTEOSA-N	247.357	4.504	0	10	BJAE	
CC(C)[C@]12CC[C@](N)(CC3(C)CCCCC3)[C@H]1C2	2058569512	KWUYXAVASKPHAO-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(NC[C@@]23CCCC[C@H]2CCC3)C1	2058828085	PIFLHGVCJQOTJU-OTBWCIGPSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@@H](O)c2ccccc2C(C)(C)C)CC1	2059177022	GHPRWKPQAWEFSE-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)CC12CCC(CC1)C2	2059180263	JBGSCURWOUOESH-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCC(N)(C2=CC[C@H](C)CC2)CC1	2060914814	VMSOSWSFVQQWEC-AWEZNQCLSA-N	249.442	4.811	0	10	BJAE	
CC1(CNCC23CCCC2CCC3)CCCCC1	2063905150	HTPUJODOFUAQCW-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCN1)CC12CCC(CC1)CC2	2065340188	SUYWSXNKDGUMBH-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C(N)(C2CCCC2)C2CCCC2)C1	2065937063	DBRZRTONVPXWQT-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2CC23CCCCC3)CCCC1	2067502295	CLBXZWJMVBNAMR-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC1CC(N)(C2=CCC(C)(C)CC2)C1	2067987474	AUEUATDFOKLFEP-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](N)c1cccc2ccccc12	2068820495	XQAWDEYDYZPDFB-SUMWQHHRSA-N	241.378	4.522	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@H]1[C@H]2CCCCC[C@H]21	2070304109	LSSMMVRJDSNMGF-YYIAUSFCSA-N	249.442	4.667	0	10	BJAE	
CC(C)CC1(CN[C@@H](C)C2CC=CC2)CCCC1	2070808344	PRVZNXZJOAWWJU-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H](C)C2CC=CC2)CC1	2070815598	SVKHSNSAHQPMDK-INMHGKMJSA-N	249.442	4.680	0	10	BJAE	
CN(C[C@]12CCC[C@H]1C2)C1CCCCCCCC1	2070946230	FHUNYDZLRLXYTK-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CC(C)C1(CC(=O)C2[C@@H]3CCCCC[C@@H]23)CCC1	2071918036	AJNPJXIQNFDNGJ-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
C1CCCC([C@@H]2CCCN2CC2CCCC2)CC1	2071969999	YCRVCJIPIHXCLL-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CC(C)=C[C@@H](C)C1	2072422565	CZWLVIZJCKWOQQ-KBRIMQKVSA-N	249.442	4.703	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1	2074596398	APFSYRKEDXOUNL-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
CCCC1CCC(C=C2CN[C@H]2C(C)(C)C)CC1	2076160163	ODUWJUWQIFISNK-ZBCRRDGASA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H](C)c1ccccc1	2077197623	SFJDEHKGOWIULZ-YOEHRIQHSA-N	245.410	4.515	0	10	BJAE	
CCC[C@H](NC[C@@H]1C[C@H]1CCC)c1ccccc1	2079452093	VRRXNSDRFAAXNJ-IKGGRYGDSA-N	245.410	4.554	0	10	BJAE	
O=C(CCC1CCCC1)[C@@H]1C[C@H]1C1CCCCC1	2079493003	UZXMEMCVXPJZNW-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2C[C@H]2C(C)(C)C)c(C)c1	2079844352	UZZHUSMNMMCNPS-UKRRQHHQSA-N	244.378	4.558	0	10	BJAE	
CCc1cccc(C)c1NC[C@@H]1C[C@@H]1C(C)(C)C	2080028793	VQVKWFSSOSZOEF-GJZGRUSLSA-N	245.410	4.652	0	10	BJAE	
N[C@]1(CCC2CCCC2)CCC[C@@H]2CCCC[C@@H]21	2081130792	AHJRMLLRNMAFJY-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@](C)(N)C2CC3(CC3)C2)C1	2082978838	JTWSVUJRZAEHKK-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)C2(C3CCC3)CC2)C1	2082981092	AQXRVALFVXHZCA-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc2cc(C3CC4(CCC4)C3)[nH]c12	2083313778	DYMZJYHLKGMUMU-UHFFFAOYSA-N	239.362	4.778	0	10	BJAE	
CCCCc1ccc(NC[C@H](F)C2CCC2)cc1	2083780280	KIKFFXVHHPZSNQ-INIZCTEOSA-N	249.373	4.579	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H]2CCCNC23CCCCC3)C1	2083812472	OWHHSHMLYJYHHL-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H]1CCCNC12CCCCC2)C1CCC1	2083814545	RJHWWVZCIRDXGS-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C(CCCCC1CC1)CCCC1CCNCC1	2213576147	NFBSKGOSGRCXFF-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H]1C[C@H]1CCOc1cccc2sccc12	2215345877	MQEOWFUMLZVTCX-VXGBXAGGSA-N	246.375	4.716	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)C[C@@H](C)CC(C)C)CC1	2215819739	YKLMDGCDWMRNFQ-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H]([C@@H](C)[C@H](C)CC)C(C)(C)CCC	2216280030	UVGMGPUBZTVWSL-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C(C)(C)CCC	2216282803	MGAQXXQBMSIIKN-OAHLLOKOSA-N	237.431	4.703	0	10	BJAE	
CC=CCCC[C@H](CCCC(F)F)NCCC	2216405170	BKBPTEQBFIGOOO-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CCCCC(F)F	2216420068	YRKCMPGVWBAGMF-QWHCGFSZSA-N	249.389	4.602	0	10	BJAE	
CC[C@@H](C)NC[C@H](CCCC(C)C)C1CCC1	2217125965	RZNFTLFYFKOWGC-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CN[C@H](C)CC)C1CC1	2217146169	WRSCSSYLOUYOSV-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NCC1(CC(C)C)CC(C)(CC)C1	2217152447	FALDNBPXFUCBMT-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1=O	2218335297	UZWZLMLKNWSPMN-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CC1CCCCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218352064	UDPJCXWVEKCYHD-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)c1ccccc1C(C)C	2220962176	PFEPGTDGPYMEFX-KGLIPLIRSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CC(C[C@H](N)CC2(C)CC3(CCC3)C2)C1	2221015410	IASNUKAXBXPLSU-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C(=O)CC2(C)CC3(CCC3)C2)CCC1	2221077032	VIXUHFVUOBVNLM-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H](CC)CCC	2244799420	BKJXJTQRVBNDPN-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H](N)CC1CCCCCC1	2247310119	LAUVHUCWUSOROD-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C(=O)C[C@@H]1CCC12CCC2)C(C)C	2247360776	UBKRXMNWQFFXHJ-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC1(c2ccccc2CC2=CCCCC2)CC1	2247513490	JKHIFVCRIBLCKY-UHFFFAOYSA-N	226.363	4.781	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@@H]1C=CCCC1	2250494322	AROHEXMHTPEKIK-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)c1ccc2ccsc2c1	2253093745	UYOGDNXUXUONQO-OAHLLOKOSA-N	244.359	4.520	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CC[C@H]1CCCCC12CC2	2253793847	OIUKUBHEUIRQEQ-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CCC3(CCC3)C2)C1	2254002954	NPGGUCBJDUCVFV-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(N)CC3(CC(C)C3)C2)CC1	2254151250	PKUUVOYNGPQLKO-UPYYFCEMSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NCC1(CC[C@@H]2CCCC23CC3)CC1	2255258829	LICSGASSZUHSMA-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc([C@@H](O)C=C2CCCCC2)cc1	2256316160	ZBQUYOSHOPMFGG-KRWDZBQOSA-N	244.378	4.563	0	10	BJAE	
C=C=CC[C@H](CCCCC[C@@H]1C[C@H]1C)NCCC	2257238603	DKEOZUHOXXKVIU-BRWVUGGUSA-N	249.442	4.692	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC1(N)CC2(CCCC2)C1	2257246401	FWIZTUNGZNZRJM-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccccc1C1(C)CC1	2259457119	CRGINCBSBOCKEB-CZUORRHYSA-N	245.410	4.564	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@]23CCC[C@@H]2CC3)cc1	2260515010	DQBFYNWNRLLEBG-WBVHZDCISA-N	242.362	4.573	0	10	BJAE	
C[C@H](CN[C@@]12CCCC[C@H]1CC2)C1CCCCC1	2260639102	REWVEAMHBYHJIL-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CN([C@H]1CC(C)(C)CCC1(C)C)[C@H]1C=CCCC1	2261448028	AETUKNKREKLCIH-GJZGRUSLSA-N	249.442	4.632	0	10	BJAE	
C[C@@H](CC(=O)C[C@@]12CCC[C@@H]1CC2)C(C)(C)C	2298715601	CUBWCKJVFZPTMT-ZENOOKHLSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@H](C)CC1CC1	2298919694	GZRSQNQOOVYXLI-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@H](NC)c1csc(C2CC2)c1	2300868890	CTPQMPXNEHMBKQ-AWEZNQCLSA-N	249.423	4.632	0	10	BJAE	
CC1(CC(=O)c2cc(C3CC3)ccc2Cl)CC1	2301331397	VIJZRXVJFROLDY-UHFFFAOYSA-N	248.753	4.590	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](C)[C@@H](C)C(C)C	2301713170	FEKQJIVUSQCISM-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC(=O)CCC1=CCCCC1	2301925839	IWISHZCXCFHQQI-ZBFHGGJFSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H]1CCC(C)(C)C1	2302713459	PAEGNYUORQNIAW-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@H]1CCC(C)(C)C1	2302765711	MNTKWFQZADZQCK-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC(C)(C)C1)C(C)(C)C	2302903457	ZQXUUVCDWARHFE-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H]1CC(C)(C)[C@H]1C	2303254739	QHHYRWROGSVHNG-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CCCC[C@]1(O)CC[C@H]1CCC(C)(C)C1	2304399550	NXBVCGYLZFHETL-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CN(C)CCCCCC1CC1	2307761612	URKPYHNSPPWAQZ-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CC[C@H](C)[C@@H]1C(C)C	2307829337	SRKYKFZCBDWQDB-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CCC)C1CCCC1	2307830859	GGOANQZVXBCHRB-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)[C@@]23CCCC[C@@H]2C3)C1	2311892903	PVVLWYRDLGKQSJ-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](NC[C@@]12CCC[C@@H]1CC2)C1CCCC1	2313314410	DLTRGSLEQHPDPT-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](CC1=CCCCC1)C[C@@]12CCCC[C@@H]1CC2	2313330135	DMQUXHGFRPFQMR-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@@H]1CCc2cc(C)ccc2N1	2316271724	UHRIBEMIGGPPMK-MRXNPFEDSA-N	245.410	4.938	0	10	BJAE	
CCCC[C@@]1(CNCCC)C[C@H]2C=C[C@H]1CCC2	2316665575	JTOXZHMRYDSKAG-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC[C@@](N)(CC1CC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316879856	HFIXKVUXPZKHCS-QSPRXWTASA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317114948	URDLEWCHJPAZJK-WRQOLXDDSA-N	249.442	4.523	0	10	BJAE	
N[C@H](CCC1=CCCCC1)CC1CCC=CCC1	2317900708	HPVSHRVPCRNTBZ-QGZVFWFLSA-N	247.426	4.731	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1C[C@H]2CCC[C@H]21	2317919381	DRCWTZCGFCAWMZ-KCPJHIHWSA-N	247.357	4.550	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)CCCCC12CC2	2318547702	FHWFRHXIDPZJCI-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
COc1ccc(C)c(CCCC2=CCCCC2)c1	2318577326	DQROJYKFVLZZPN-UHFFFAOYSA-N	244.378	4.827	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)CC[C@@H]1CCCC12CC2	2318931840	FELQCHQUWBRPMU-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCC1CC1)C[C@H]1CC[C@@H]1C1CC1	2319549753	IKQQKRWAFHWGCX-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1[C@H](N)C[C@@H]1C=CCCCC1	2320220386	XVABSMSMSPUROZ-QKPAOTATSA-N	249.442	4.523	0	10	BJAE	
Cc1ccc(F)cc1NC[C@H]1CC[C@@H]1C(C)(C)C	2320307409	KXZCSJQPCQFNLH-OCCSQVGLSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@H](CN2[C@@H](C)C[C@@H](C)C[C@H]2C)CC1	2320346130	CVKYJZLATJSAQJ-VJUNAUMWSA-N	249.442	4.632	0	10	BJAE	
CC1=C(C)C[C@H](NCC2C[C@H](C)C[C@@H](C)C2)CC1	2320373363	QXZRHDZEMWUSAW-PBFPGSCMSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2320393830	JTKYEJUQOPSZCF-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2C(C)(C)C2(C)C)CC1	2320408975	PMGIMGTWPPUPDM-ZDUSSCGKSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2CC23CCCC3)C1	2321610871	LDSROGPUFVHHDL-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CCC)c1ccccc1	2328212553	IKGFPKMSVFMFHS-DOTOQJQBSA-N	248.410	4.891	0	10	BJAE	
Cc1cc(C)c2sc3c(C)cccc3c2c1	2539178	UIQMWWBKGOJSTG-UHFFFAOYSA-N	226.344	4.980	0	10	BJAE	
CC[C@@H](Nc1ccccc1C)c1ccccc1	19964968	OYJDHZYEJMFMEC-OAHLLOKOSA-N	225.335	4.558	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccc(C(C)C)cc1	21009172	KJBIXOGHGSTAKD-QWHCGFSZSA-N	219.372	4.657	0	10	BJAE	
CC(C)CC[C@H](C)NC(C)(C)CC(C)(C)C	37100734	GWIDBQHPHFSBII-ZDUSSCGKSA-N	227.436	4.616	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H]1CCC[C@H](C)C1	71157009	VXOMNQDJLSLATQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1ccnc2c(Cl)cc(Cl)c(Cl)c12	82788434	JRVYDSUAOJVFNJ-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCC1CCC(N[C@H]2CCC[C@@H](CC)C2)CC1	83640275	CAHUPCHWEHBJSQ-KNIAUWFNSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](Oc2ccccc2C(C)(C)C)C1	85151832	NFMXVRQCWAJGNL-ZIAGYGMSSA-N	246.394	4.942	0	10	BJAE	
CC(C)Cc1ccc([C@H](O)CCC(C)(C)C)cc1	94902073	NZALQJOQPRANEE-MRXNPFEDSA-N	248.410	4.745	0	10	BJAE	
CCC[C@H](N[C@@H](C)C(CC)CC)c1ccccc1	104444450	VPZHLSNHEIPYST-YOEHRIQHSA-N	247.426	4.942	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1ccc(CC(C)C)cc1	110199957	JQCCIVYHMXRZTE-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](C)C(=O)c1ccccc1	128232328	NCXKITWURZDIIO-IIAWOOMASA-N	244.378	4.722	0	10	BJAE	
CCCC[C@H](C)NC1CCC2(CCCC2)CC1	129373108	OKJKFXLOLORLKN-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CC(C)CC[C@H]1CCCC[C@@H]1CNC(C)(C)C	130255427	CEFKATBZUSEXAQ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C1C[C@@H](C)C[C@H](C)C1	161236159	HXVDECLCLIOOOU-GRDNDAEWSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCCC[C@H]1C(C)(C)C	165574528	DGJNSNYCCKSAIZ-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](CNCC(C)C)CC(C)C	166061349	SURRDLVXTHKVJX-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
Cc1cccc([C@H](C)N[C@H]2CCCCC[C@@H]2C)c1	203528204	QGWUQMQWKJSYBK-ZOBUZTSGSA-N	245.410	4.614	0	10	BJAE	
C[C@H](CC(=O)C1CCCCC1)C1CCCCC1	205337983	SWZOBOSZTNZUGW-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@H]1CCCCC1(C)C	226784032	FQZZQNIHKWZNRD-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](CC)c2ccc(C)cc2)C1	227193085	QQWMZRNKAGKQPB-HYVNUMGLSA-N	245.410	4.614	0	10	BJAE	
CCC[C@H](C)C1(N)CCC(C(C)(C)CC)CC1	233327480	XVAIURDVWHLJSU-HLIUYOAVSA-N	239.447	4.747	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CN[C@H](C)C2CCCCC2)C1	235710407	DQQITTCKAJQWPC-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1	252425324	MRPKRIOICXSKGQ-YQQAZPJKSA-N	243.394	4.766	0	10	BJAE	
CC[C@H](C)c1ccc(-c2nc(S)cs2)cc1	259420209	VAJAAIULORVPDW-VIFPVBQESA-N	249.404	4.612	0	10	BJAE	
CC(C)(C)[C@@H](O)CCCCC1CCCCC1	300751503	LFVOUXIWWYTHLW-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H](C)CC(C)C	300956690	QJGFLYYATYQNOJ-ZFWWWQNUSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)c1ccc(C)cc1C	302412741	QAEDAMXOCKTOMA-WMLDXEAASA-N	247.426	4.780	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)c1ccccc1C(C)(C)C	302569360	OTJJJXQPCZZCEU-XJKSGUPXSA-N	247.426	4.666	0	10	BJAE	
CCCc1ccc(NC[C@H](C)CC(C)C)cc1	305935800	KQZAVGJEZBIQPY-CQSZACIVSA-N	233.399	4.733	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC1CCCCCC1	309163712	PYYIGIAZESNGPF-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)NCCC1(C)CCCC1	309302330	YNGOJBPESBOEBV-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1	315243567	YOFKTAXPZVXRFG-JKQORVJESA-N	243.394	4.540	0	10	BJAE	
CCC1CCC([C@@](C)(CC)CNC(C)C)CC1	317742680	NSHAYCXTCRNHQC-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@]1(CNC(C)(C)C)CCC[C@H](C)C1	317939427	NIDPQOIOYJSOKI-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)Oc1cccc2c1ccn2[C@@H](C)C(C)C	319517168	JBQNIYQMJTXZCX-ZDUSSCGKSA-N	245.366	4.646	0	10	BJAE	
CC[C@H](C)[C@@H](C)Oc1ccccc1C(C)C	319598941	LQGXWKHMKMNDSU-QWHCGFSZSA-N	220.356	4.623	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)(C)C)[C@@H](C)C(C)C	319788594	HSBZUWMFBLSMFK-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H](C)C1CCCCC1	379865639	SJOIQZDYWXVZJV-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C1C(C)(C)C1(C)C	383218670	DSDQXIOSNVMMMZ-CYBMUJFWSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@H](C)C1CCCCC1	383706823	WJIUHZOIGPBAHK-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](O)CC1(C)CCCC1	384089672	YRUAPPHJSZMOFQ-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)CC1CCCCC1	385050022	QMFWZMDDKNRBLO-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C1CCCCC1)c1ccoc1	386184493	JDCFTWJDZOWLIG-CJNGLKHVSA-N	249.398	4.537	0	10	BJAE	
C[C@@H](Nc1cccc2ccsc12)C1(C)CC1	386234149	NEEAEUVTKZHLQV-SNVBAGLBSA-N	231.364	4.502	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccc2sccc2c1	386409292	JGZDYSZOGAQJPV-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
CCCC[C@H](C)NCCC1CCCCCC1	394646987	XEPVAQLWTBKPOT-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CCCCCC(C)C	394855129	HZVQENVLNXFFEZ-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
CCOc1c(CC)cc2sccc2c1Cl	396195267	VVDVJYZHUYFTFM-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
O=C(C[C@H]1C[C@H]2C=C[C@H]1CC2)C1CCCCCC1	402219031	QKKNOQGYBWTCCD-OFQRWUPVSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2CC[C@H]3C[C@@H]3C2)cc1	403142945	WPSQZYAOXGVPTF-KBMXLJTQSA-N	244.378	4.625	0	10	BJAE	
CCCCCC[C@@H](O)CC(C)(C)c1ccccc1	686650624	SYFPWBAMEUZHSI-MRXNPFEDSA-N	248.410	4.686	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)C(C)(C)C	687710686	TWOYSUVRUYRAPA-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)c1cc(C)ccc1C	695096846	DGZPXWSDWMZQRV-GJZGRUSLSA-N	247.426	4.779	0	10	BJAE	
CCCC1CCC(N[C@H]2CCCC3(CC3)C2)CC1	695719052	YIWZGUJBZAVEON-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
C1CCC(CCNC2CCC(C3CCC3)CC2)C1	696076093	IWVIGFVYNAYDKM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@@H]1CCC[C@H](C)C1	696551238	RFEYKMQXPAGTTH-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@H]1CCCC[C@@H]1C	696679401	SMDDYLJRAYBFQS-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](NC1C[C@H]2CC[C@H](C1)C2)C1CCCC1	697956142	COMKCQYSBXABAF-GRDNDAEWSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCCCc1csc(Cl)c1	698054881	PZJLAZOVSBMDAH-UHFFFAOYSA-N	214.761	4.690	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NC)C(C)(CC)CC	701197442	HZVREZGOODPMIZ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CN[C@H](c1ccc(C)cc1C)[C@H](C)CC(C)(C)C	704729857	PWPVVUCBYCJORJ-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCCCC[C@@H]1CC	704951404	LYWWGODTUNOFOZ-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)c1ccccc1C1CCC1	708271254	VBNOMCZTBVOCMJ-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@H](C)CC(C)(C)C	708281859	IKJSDGCJHHSYLO-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)[C@H](C)C(C)(C)C	708424672	CEUJAIZVLDZAGO-JTQLQIEISA-N	238.758	4.513	0	10	BJAE	
CCc1ccc(N[C@H]2CCC2(C)C)cc1Cl	709227748	GXKKZHWGBGWYRJ-ZDUSSCGKSA-N	237.774	4.503	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(O)C[C@H](C)CC(C)(C)C	709260808	PPXYVAFBQJROMI-DVOMOZLQSA-N	240.431	4.636	0	10	BJAE	
CCc1cc(N[C@H]2C=CCCCCC2)ccc1F	709649457	ZXVOFYLISISYEH-AWEZNQCLSA-N	247.357	4.689	0	10	BJAE	
CC[C@@H](C[C@H](N)CCC1CCCC1)C(C)(C)C	711111150	IWNHCRUKUWOQCN-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CC[C@H](C2)C1)C1CCCCCC1	711140709	CXJWKPBQMOINKD-LJIGWXMPSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C1(CC)CCCC1	713128151	YRKJMWWCCHZTAC-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)CN[C@H](C)C1CCCCCC1	713156796	FIORMURTMPOJAN-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC(C)(C)C(C)C)C1(C)CCCCC1	713176305	WACINIWBRHRHOY-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@]1(CC(C)(C)CC)CC[C@@H](CC)C1	713337193	VGBIIFXQUJOVOP-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C/CCC(=O)C[C@@H](C)CC(C)(C)C	713655509	IXTMBILUDDMBCD-SBDDDAINSA-N	222.372	4.540	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@H]1CCCCCC1(C)C	719273358	ATECJMQPQOQJSN-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](CCC)c1c(C)sc(C)c1C	722486526	QMGJSENDERGALW-ZDUSSCGKSA-N	239.428	4.514	0	10	BJAE	
CC(C)Oc1ccc(CC2CC2)cc1C(C)C	725443129	CMEORPGIPVXWRN-UHFFFAOYSA-N	232.367	4.550	0	10	BJAE	
C1=C(CCNC2CCC3(CC2)CC3)CCCCC1	1620896236	GJERHAPLIQMQLL-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
Cc1ccccc1SC[C@H]1CCC[C@@H](C)C1	1656234215	FCBICIXOJVOBAQ-OCCSQVGLSA-N	234.408	4.913	0	10	BJAE	
CCC[C@@H](NCC1(C2CCC2)CC1)C1CCCC1	1875410755	IRVYHKIDZAVTDB-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C(CC)CC	1900691212	OYSVGQUHLXXGEC-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCc1cscc1N[C@H](C)[C@H](C)CC(C)C	1902391626	VXVISNBSNDLAOV-VXGBXAGGSA-N	239.428	4.793	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CC(C)(C)C)CC1	1902829772	BHKJXBNYWFCPTN-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCCCCCc1ccc(OC2CCC2)cc1	1905541594	HXWBQRZLNGUSJH-UHFFFAOYSA-N	232.367	4.741	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1C[C@H]1C1CCCCC1	1910603335	JHNGZNZSAFZKFN-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
O=C(CC[C@@H]1C[C@H]1C1CCCC1)c1cccs1	1910808977	FBEUJHNMYXLKFK-OLZOCXBDSA-N	248.391	4.537	0	10	BJAE	
CCCN[C@H](CCC)CCC=Cc1ccccc1	1912068313	LULJLZXAKSMMPR-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
CCCC=CCN[C@H]1CCC[C@H](CCC)CC1	1914681106	ZUJQLLGJOQXVKV-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](C[C@]1(N)CCC2(CCCC2)C1)C(C)(C)C	1916403438	DVDBDFKIQSRKPI-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1CCC(F)CC1	1920196164	GVGBHNCFOJTGCT-YMAMQOFZSA-N	243.410	4.593	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@@H](C)C1CCCCC1	1924113104	YUKYVIRISWAPEU-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)C[C@H]1C=CCCCC1	1925911367	QVEIKSVDUOEGCI-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CC(CC)CC	1926375860	IJCJTVRRDMOXBC-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CN)CC1(C)CCCCC1	1940400808	DFTOHFHGPFVKQL-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CCNC[C@@H](CC1(C)CCCCC1)C(C)(C)C	1940406901	NYIFMZHLJQHQFP-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CNCC(C)(C)C1CCCCC1	1940759785	JHZUEJWIRPLKET-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)CC(CC)CC	1940855629	HYSJLENLHNPULO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(=O)c1ccc(C(C)C)cc1)C(C)C	1941265957	YIAJFYLMQKHMAF-HNNXBMFYSA-N	232.367	4.675	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H](CC)C(C)C	1941268779	JJZRZZOLHGSDSN-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cccc(C2CC2)c1	1941532422	SWPOWONMJONFCL-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1C[C@H]2CCCC[C@@H]21	1941718160	SFDXYEGQEXCWOS-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CC1CCC=CCC1	1941796476	FMHCPEVVZGNEDE-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1CCC(C)(C)CC1	1942653307	PDDWHKBXCPPMME-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@@H](CC(C)C)C(C)C	1942654917	DXSBWFHCXFCVHK-CABCVRRESA-N	240.431	4.946	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@]12CCCC[C@H]1CCC2	1944225447	ZSGSPNANIHQCON-DZKIICNBSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)CCNc1ccc(C2(C)CC2)cc1	1944597044	VFZZIKBATVOMHP-ZDUSSCGKSA-N	231.383	4.586	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)c1cccc2sccc12	1945970646	QUWAFNBNWXNJEK-NHYWBVRUSA-N	247.407	4.583	0	10	BJAE	
CC(C)(C)CCCN[C@H]1CCCCC12CCC2	1947880057	VAAIXCBEFSZWNV-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1CC12CCCC2	1948139783	RXULBXVLUPDSGY-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC=CCC1)CC(C)C	1948863248	LGYALNPKXHFAFC-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCC2(CCCC2)C1)NC	1949550313	CHZNAYPWDACXNS-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(=O)CC1CCCC1)CC(F)F	1949858310	XAGZJYPRNIFBKF-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CN[C@@H](CCCCC1(C)CC1)CC1CCCC1	1949864634	PMSOAPCSBRLLET-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)[C@@H]1CCCC(C)(C)CC1	1950920516	WFRZZZSKVGGMQZ-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@@H](C)NC[C@H]1CCCC(C)(C)CC1	1950921733	IQFUMPQMNNOMCC-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)NC1CC2(C1)CC(C)(C)C2	1950989402	QGPNXPKZNGQCKE-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1(CC)CCC1	1951234630	IYQQXKCJAGKZBY-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC(CC)(CC)C(=O)c1csc(Cl)c1	1959916953	SQDUYESDUNATLC-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCC[C@@H](C(C)C)C1	1963229063	OZKGFBMYOPRHCD-PMPSAXMXSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCc1ccsc1	1968595737	AHAJSBSZTUIBNZ-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCCC3(CCC3)C2)C1	1970281392	NHJQSWZQALGFCT-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)N(CC(C)C)CC(C)(C)CC	1971358554	DFSXDRBKJXOEDQ-UHFFFAOYSA-N	227.436	4.569	0	10	BJAE	
CCC[C@H](NCCC1CC2(CCC2)C1)C1CCC1	1973743944	MKSNDCTWGINPQR-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NCCC1CC2(CCC2)C1)C1CCCC1	1973744421	NZROZSRCCADFTF-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(N[C@H](C)C2CC3(CCC3)C2)C1	1974008493	IGXPKMLNQWKZQR-VQCLRJIVSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C(=O)C[C@@H](C)CC(C)C)CCC1	1978429236	YIYJXEDHIJTVFW-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC1(CC)CCC(O)(CC(C)(C)C)CC1	1981065944	PDFISXSOKMUJSY-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CSCCCCC(=O)CCCCCC(C)C	1981568039	JRUPEPJJSXQBDJ-UHFFFAOYSA-N	244.444	4.695	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCC[C@H](C)CC1	1984575388	MIMJWGHUJRZDEH-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CC[C@H](C)CC(=O)CCC(C(C)C)C(C)C	1988305621	UANLZOJHQUBYLH-ZDUSSCGKSA-N	226.404	4.700	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)C(C)(C)CC	1989802696	GJGRPKGWKQRIDC-HIFRSBDPSA-N	228.420	4.780	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)CCCC(C)(C)C	1990836919	PEDBNALTLKFNHG-CQSZACIVSA-N	227.436	4.569	0	10	BJAE	
CC[C@](N)(CC1CCC1)C1CCC(C)(C)CC1	1996595622	XLDZRLKRZSQXOQ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCC2(CCC2)C1	1997040078	PXAIOQRJPUBBPP-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)C2(C)CCCCCC2)C1	2000211953	QRTMPVLGMBCSMA-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@@H]1CCCCC1(C)C	2000771505	RJLKJDNPSAEFQZ-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)[C@H]1CCCC(C)(C)C1	2002974741	SPRHGMFHZBMXJQ-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@H]1CCCC(C)(C)C1	2002993157	IUDMCGBAYZHSRT-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H]1CCCCCCCC1=O	2003070241	KEKQRTAGLWQWFO-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@@H](NC2CCCCCCCC2)C1	2003101556	XLWQHHLFBMZVJI-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@H]1CC[C@H](C)CC1	2003103722	MYDGVRGGTORBTK-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H]1CCCCCCC[C@@H]1CC(C)(C)C	2003110044	AKUBQIZXJKUSTP-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H]1CCC2(CC2)C1	2003220236	GKPJVRYAPMFCMJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCC[C@]1(CO)CCC1CCCCC1	2005587606	YEPXZIXXLIQAFA-GOEBONIOSA-N	238.415	4.536	0	10	BJAE	
CC(C)[C@]1(CNC(C)(C)C)CCCCC1(C)C	2005597233	PUMSLBLXFKIJSJ-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C1(C)CCC2(CC2)CC1	2007695463	JMVPDNQBAMGBOX-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1(C2CC2)CCCC1	2008483378	OMVANYJEQVAPBY-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](C)CC[C@@H]1O	2009407267	MCLPIDKNQHYDHO-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CCC[C@@H](C)C1	2009596918	XGALJQHINXKTRC-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCC[C@H](CC1CCCC1)NCC	2009615747	BNVGKWYTJGFDMR-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC[C@]12CCC[C@@H]1C2	2011002063	PEIZNKSNXFGOSU-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(=O)CC[C@]12CCC[C@H]1C2)C(C)C	2011011921	SAEUWKBBCMOHMF-DZKIICNBSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C[C@@]12CCC[C@H]1C2)NCC	2011019345	KLDJPAFXZOUOJO-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)C=CCC(C)(C)C1	2012049104	BHNHCDHNYMKPQD-XJKSGUPXSA-N	237.431	4.523	0	10	BJAE	
CC1(C)C[C@@H](N)C[C@@H](CC2(C)CCCCC2)C1	2012053259	BYNBTTODWPNWEX-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(CCN[C@H](C)CC(C)(C)C)C(C)C	2015343583	FNYVRUKHRTXPMU-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@](N)(CC1(C(C)C)CCC1)C1CCC1	2017143093	JRPGWAHALWURSL-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCCC1(C)CCCCC1	2017741110	AYRMASQUPRPFFR-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC1(CC)CCC1	2018182033	DGXIHZUEHAHQNF-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CC2(CC)CC2)CC1	2018968840	YLKUSKFQOWHSDG-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2CCCC(C)(C)CC2)CC1	2018991368	JTWJBYISOPHJFE-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CC(N)(CC2(CCC)CC2)C1	2019002127	HBYVBAYERSNVLO-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@H](CC)C(C)(C)C)CC1	2019005631	HMFHGIDVWBREAS-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](C)N(CCCCCC(C)C)C1	2019341490	AYWNAAOPYVKPAC-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@@H](C)C2CCC2)CC1	2019772180	YPBKKSHWGOJFNZ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C[C@H]2CCCC(C)(C)C2=O)CCC1	2020393464	UHAOFOPKGCONDO-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC=C(CC)C[C@H](CC1CCCCC1)NCC	2020976929	OWVJWJFVYRTCIC-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@](C)(N)C2(C)CCC2)C1	2024095872	SQZJSMIWQXDWCO-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2C(=O)CCC[C@@H]2C)CC1	2024614805	ZBDQXWLHXJJATH-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@@H](N(C)CCCCCC(C)C)C1	2025600806	PPNBUPVGZWPCIM-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@@H](C(C)C)C1	2025632583	ZLPOTYRHHQWMJK-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CC1CCC(C)(c2nc(CC3CC3)cs2)CC1	2026541964	ZCTOGPFTPSGWKH-UHFFFAOYSA-N	249.423	4.563	0	10	BJAE	
CC1(C[C@@H]2CCC[C@@H]2CNC2CC2)CCCCC1	2027312548	WSZSZBJPMRSEIT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C1(C2CC2)CC1	2028101762	RSRTYHLLFBLYMJ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)C1	2028965459	SOGAKUXTFUGBOM-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(C(=O)C2C[C@@H](C)C[C@H](C)C2)c1	2030243806	ZKYKSKKWILXKFN-STQMWFEESA-N	244.378	4.504	0	10	BJAE	
CC[C@H](C)C[C@H](N)c1ccc(C2CCCC2)cc1	2031748577	XNPRQTHMKPAHOZ-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CC1(C)CCC[C@@]1(CNC1CC1)CC1CCCC1	2032106566	OKHHYSNUVYPQTI-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@H]1CC1(C)C)C1=CCCCCCC1	2032426104	DMOPSHYPBRDNOL-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1[C@H]2CCCC[C@H]21	2032782760	KKELBCGEPWPYIP-ZSHCYNCHSA-N	244.378	4.625	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@H]1[C@H]2CCCC[C@H]21	2032814308	AIGQJVLSUAWCTO-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1CCCCC1)CC1[C@@H]2CCCC[C@@H]12	2032819389	GTGFSNJCECDBJT-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)[C@@H]1CCC(C)(C)C1	2033388167	PQMFCMBKTIOXFP-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)c1ccc(C(C)C)cc1	2035501609	YKNVHMWVVKWRNR-WBVHZDCISA-N	246.394	4.598	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1cccc(C2CC2)c1	2036352258	MAFDQVXNKSWWFI-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@H](C=C(C)C)c1cccc(C2CC2)c1	2036354614	MKUZDYBZZZXAOF-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2037695110	QFCDPEXUKMSRRQ-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)C[C@@H]3CCC[C@@H]3C2)CC1	2038627516	XTTIRXXTWTZZOP-QLPKVWCKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)([C@H]2C=CCCCCC2)CC1	2039387670	YBNRVEHZBGTPPK-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
C[C@H](N[C@H]1C[C@H]1C1CCCC1)C1(C)CCCCC1	2039864316	ZBKPNCPSPFCQEI-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(N)(C[C@@H]2C=CCCCC2)CC1(C)C	2042335587	WQWVMXUIMOBVCP-CQSZACIVSA-N	249.442	4.667	0	10	BJAE	
CCN(C[C@@H]1C=CCCCC1)c1cccc(C)c1	2046571422	SWTPMHIYZPNBPX-MRXNPFEDSA-N	243.394	4.568	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCC1)[C@H]1CC[C@H](C)CC1	2049635151	SPQZAPVTAMJDEQ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)CC2[C@H]3CCCCC[C@H]23)CCCC1	2049796305	XQIUTUSGFOXOKI-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@@H]1CCCC2(CC2)C1	2049862346	FPYOHXXGWVKNTA-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)[C@@]12C=C[C@@H](CC1)C2	2050005239	FABUAVBQKQUJPH-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC2CC2)CCCCC12CC2	2053356970	LKJIZOLCMYOHNP-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC(C(=O)CC2CC(C3CCC3)C2)C1	2056669022	DLBPNQJTDNYJCP-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](C=C2CCCC2)NC)CC1	2056869751	DWGANPCHOBATSK-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)CC1CCCCC1	2056883927	TWFGTVAJYLEFOX-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC(C)(CCC(=O)C[C@@H]1CCC[C@H]2C[C@H]12)C1CC1	2057358937	WHKQBLVCYUIGAE-HEHGZKQESA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(NCC[C@H]2CC=CCC2)C1	2059390713	RQSXSHXUQHPJPW-GTPINHCMSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H]2CCCC[C@H]2CC)CC1	2061116214	NVVINRJAODQEHI-JHNDHUHGSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCCCCC1CC1)C[C@]12CCC[C@H]1C2	2061614702	WCSHSXAIEXXONB-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)CC2CC(=C3CCC3)C2)CCCCC1	2061704163	NSLPWFMOOMPGEM-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CCC(CC)(CC)c1nc2c([nH]1)[C@@H](C)[C@@H](C)CC2	2061878983	NHWWWEFDQZOZFC-RYUDHWBXSA-N	248.414	4.563	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@]1(N)CCCCCC12CC2	2062008516	FGLHYYBVJQUZGN-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC2(CC(C[C@@H](N)C3CCCCC3)C2)C1	2063201476	QQFUPPVUVOVKED-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CC3(C2)CC3(C)C)CC1	2064110057	XCODZGZQVSHTJS-JFBXJRRNSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC23CCC(CC2)CC3)C1	2065279114	GJNCYHGBIQUQNY-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(F)c(NCC23CCC(CC2)CC3)c1	2065301733	ZDAMCOFCPIQTAA-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CC[C@](N)(CCC(C)C)c1cccc(C2CC2)c1	2065992952	NPVIJXSUTZJZKG-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC(C)(C)CC1CC(N)(CCC2=CCCCC2)C1	2067988310	IFXOGATYWYTCPS-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CCc1cc(N[C@@H](C)[C@H]2CCC2(C)C)ccc1F	2068284859	ANKOUMWQVREWBD-SMDDNHRTSA-N	249.373	4.625	0	10	BJAE	
NCC1(CC2C[C@@H]3CC[C@H]3C2)CCCCCCC1	2068771769	PDBHLBWYGRLJIR-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCC=CCCC2)oc1C	2068911957	LGOZOCFBUOVGLZ-CQSZACIVSA-N	246.350	4.606	0	10	BJAE	
CCCC[C@H](NCC[C@H]1C[C@H]1C)c1ccccc1	2071479915	RZRYCLHMAUBOLT-PVAVHDDUSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)C[C@H]1C[C@H]1CC	2071511068	MDGGZBGTWISEEB-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C(=O)CC2C[C@H]3CC[C@@H]3C2)CCC1	2071927196	XWIYIAZGCIRZFU-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1(C(C)C)CCC1)C1(C)CC=CC1	2071944713	ZKZIOOJKTSEDED-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC[C@@H]1C[C@@H]1C)c1ccc(C(C)C)cc1	2072076700	OSXFEUHFWQSVBQ-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(CN)CCC=CCCC2)CC1	2072796428	OLHPMTVKOSPEJS-ULQDDVLXSA-N	249.442	4.668	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)c2ccc(C)cc2)CC1	2072801724	QHFYQDCJGZJQMW-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)C=CCCC2(C)C)CC1	2072815995	RBFLTIILGSUCEU-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(CC(=O)C2CC3(CCC3)C2)CC1	2072870570	DNLGIZNBHGJLIS-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@@](C)(Nc2ccc3ccccc3c2)C1	2073014749	LSFUANZVVFSKIA-SUMWQHHRSA-N	239.362	4.830	0	10	BJAE	
CCCCC[C@](N)(CC)c1ccccc1CCC	2073341043	OXMGJJZQSHNXHM-QGZVFWFLSA-N	247.426	4.783	0	10	BJAE	
CCCCC[C@H](CC)n1ccc2c1CCCC2=O	2073421270	YRJJEYALBKBYOT-ZDUSSCGKSA-N	247.382	4.539	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@@]12CCCC[C@@H]1C2	2074030521	UEWWWPVVTWPGFC-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCNCC1([C@@H]2C=CCCCC2)CCC(C)CC1	2075365129	LARVWGWYFACIDQ-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2C[C@@H]2C2CCC2)CC1	2079440781	CSZXNNZMOZHBOZ-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1C[C@@H]1C1CCCCC1	2079529529	MAWSQFIUIWFMNV-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CC1(NC[C@@H]2C[C@@H]2C2CCCC2)CCCCCC1	2079638371	CBCFMPMRLMCYIL-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@H]1CCNc2ccccc21	2079664009	CNJWBUADTRKZGQ-VNHYZAJKSA-N	243.394	4.658	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@H]1C[C@@H]1C1CCCC1	2079726738	VFPXYBBAHUKHJQ-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCCC(C)(C)C1	2081947108	OQKDTIZMMBTXSB-CQSZACIVSA-N	249.373	4.769	0	10	BJAE	
CCc1cccc2cc([C@@]34CCCC[C@H]3C4)[nH]c12	2083314566	JZZQZLRGAKQPIM-WMLDXEAASA-N	239.362	4.562	0	10	BJAE	
CCC1([C@H](O)c2cccc(C(C)(C)C)c2)CCC1	2083550989	SWNYLAZMCUOBII-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CCC(F)(F)CCCC=Cc1ccccc1	2210662308	MIZIKUSMDLLYJL-UHFFFAOYSA-N	224.294	4.915	0	10	BJAE	
Cc1ccc(OCCCCC2CC2)c(Cl)c1	2211115631	AFNDXPUCOONWSG-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCc1cccc(C/C=C/c2ccccc2)c1	2213825444	UHOPXWNQPASEHP-YRNVUSSQSA-N	222.331	4.505	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@H]1CC)CC(CC)CC	2215244428	GXIUVMPVKOSOJP-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(=O)CC[C@@H]1C[C@H]1CC)C(C)(C)C	2215345297	IOEWPNYSMABIGU-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H](C)CCC(C)C)CC1	2215824713	WOLAWPSARPRHLN-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
N[C@H]1CCC[C@H](CCCCCCCC2CC2)C1	2216880078	QJPWFRZVFCGCRY-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@]1(CN[C@@H](C)CC)C=CCC1	2217126272	AHOXKXWIHNEPKQ-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)NCC(C)(C)CC(C(C)C)C(C)C	2217140370	WFQROSRYFHHIQU-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C(=O)C1	2218336645	XGKYRVGHQUQYOO-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1C[C@@H]2CC[C@@H]2C1	2218734075	AVUUMIGTDPMFAB-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
CC[C@](N)(CC=Cc1ccccc1)CCC(C)C	2219088486	ROCLQHXIORKHRV-KRWDZBQOSA-N	245.410	4.634	0	10	BJAE	
N[C@@H](CCCCC1CC1)c1ccccc1C1CC1	2220047212	QTGQCNNOXFNGDU-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
N[C@H](CC[C@@H]1CCC=CCCC1)C1CCCCC1	2220301936	KBBHSQDRYGDXMS-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(C2CCCCC2)c(CNC(C)C)c1	2221801933	ZLDRNBHEMNOEEJ-UHFFFAOYSA-N	245.410	4.541	0	10	BJAE	
C[C@@H]1CC=C([C@]2(N)CCC[C@H](C(C)(C)C)C2)CC1	2222254343	BHUNSOOSPPDIMJ-KMFMINBZSA-N	249.442	4.667	0	10	BJAE	
CCCC(CCC)C(=O)CC1(C)CC(C)C1	2242704177	KJECCQZBRVGMIT-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)c1cccs1	2243030346	KWZMBCTZJJLSNW-NEPJUHHUSA-N	236.380	4.537	0	10	BJAE	
Cc1ccc(Cl)c(NC2CCC=CCC2)c1	2244134012	FCOBYMFRDYLLJF-UHFFFAOYSA-N	235.758	4.559	0	10	BJAE	
CCCC[C@](C)(CN)CC[C@H]1CCC[C@@H](C)C1	2246658622	CDOBHGOZEPWXBY-OAGGEKHMSA-N	239.447	4.748	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H]1CCCCCCCC1=O	2247395637	AEOWZLSHWSFECL-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H]1CC[C@@H](O)CC1CCCCC1	2247417397	PMCLQDLWOBNHRH-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H]1C[C@](C)(O)CC1CCCCC1	2247419937	UOAZTIFYQKZHNZ-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC=C(C)C)c1csc(C2CC2)c1	2248050599	ZMWRUAIOICISKJ-AWEZNQCLSA-N	249.423	4.632	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)CCCC1(C)C	2248813442	FHSCCOZSPRMNII-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCC[C@@H](C)CCCC(C)C)C(C)C	2250479106	PVVUKGYCUYIRMR-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(CO)CC1(C)C	2250487427	AVGYCTIOFDYVNG-HOCLYGCPSA-N	240.431	4.638	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(O)CC1CC1	2250496970	XQDLSDUYVNBINB-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCN[C@H](C(C)(C)C)C1	2251257647	MJDOYXMLYXNVBB-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)C1CC(CC(C)(C)C)C1	2251543158	QUDCWORYUHKLCR-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccc2ccsc2c1	2253054160	QQHJIAFFCOEQHB-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CC[C@@H]1CCCCC12CC2	2253793846	OIUKUBHEUIRQEQ-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CCCC[C@@H]1C[C@H]1C	2254588822	IEZXGGAWDQKOCF-BZUAXINKSA-N	245.410	4.520	0	10	BJAE	
CC(C)(C)C1([C@@H](N)C[C@@H]2CCC23CCC3)CCC1	2255018622	PNWUMLFRKKGYOA-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)CN(CC1=CCCCC1)c1ccccc1	2255058634	NZJNXXVKJVYIAW-UHFFFAOYSA-N	243.394	4.649	0	10	BJAE	
CCCc1ccc([C@@H](N)C2=CCCCCC2)cc1	2256293311	DTNNWDWKOUZBQS-KRWDZBQOSA-N	243.394	4.529	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)C1(CC2CC2)CC1	2257248141	NLMMQKHIABRAGW-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)c1ccccc1C1CC1	2259439190	TZMXDTXBXZLQAD-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCCC1(C(=O)CC2CC3(CC(C)C3)C2)CCC1	2259568002	XCCKEQNULSNIGK-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C1CCCC(CNC[C@]23CCCC[C@H]2CC3)CC1	2260546840	QCTHXXUWDCIJMM-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CCC1(CC)CC(NC[C@@]23CCCC[C@H]2CC3)C1	2260617511	UQENJNFHOYMJBT-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@@H](N)C[C@]23CCCC[C@H]2CC3)CCC1	2260623410	NGTQJHLLEYPJFR-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
CC1CC(CCC(=O)C[C@H]2CC3CCC2CC3)C1	2261504043	RBBVEGGHFOMPKJ-QIWHZVNUSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)C[C@@H]1C[C@H]1C	2298648209	AETRLMOUIKSJKL-LVQVYYBASA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CCC(CC)CC)NC	2300676022	KJMUFQKBLPKPFL-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@]1(C)CC[C@@H](C)C1(C)C	2300902304	SLPDODSVJUCTKA-YCPHGPKFSA-N	237.431	4.523	0	10	BJAE	
C[C@H](CC1CCCCCC1)c1ccc(N)cc1	2301187832	FNUXLGPOZZEOES-CYBMUJFWSA-N	231.383	4.733	0	10	BJAE	
CC1CC(C)(C(=O)CCCC2=CCCCC2)C1	2302349430	PNQJRPGONPBJHV-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC(C)C(CCCC1(N)CCCCC1)C(C)C	2302563010	XWLLETGJDYYURU-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCCCCC[C@@H]2N)C1	2302751821	XOEJMRPVBWYZSK-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC[C@@H]1C[C@H]1CC)NCC	2303587662	KVLFJCQTKZQHQR-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CCC(C)=C(C)C1)NC	2303594634	JQYQAAIVQUHNBO-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)CNC[C@@H]1CCC(C)=C(C)C1	2303597974	XADHBWIFMCSTCL-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@H](CC[C@H]1CCC(C)(C)C1)NC	2304436922	OGXZIUIFURJTAT-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1cccc(NCc2ccsc2)c1F	2307558329	BXWNREFETPQBEU-UHFFFAOYSA-N	249.354	4.623	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)C1CC(C)(C)C1	2307907972	FLVBCMUCSSMQLH-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1CCC[C@@H]2CC[C@H]12	2309517657	ITRNQFGPIGHJHT-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@@H]2CCC[C@H]2C(C)C)CC1	2310348779	OSLIHKZCOFKZHR-XLNGHYISSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@H]2C2CCCCC2)C1	2311609264	RMZMALPGMMTKMQ-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC1(N)C[C@@H]2CCCCC[C@H]2C1	2311614836	IBDCIPRGNNXSDX-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1C[C@H]2CC[C@@H]1C[C@@H]2CCCCCCC1CC1	2313013042	KGXMSUHBTWROIZ-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(C[C@@]12CCC[C@@H]1CC2)C1CCCC1	2313348862	NTRUQCLGHYSPAC-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@@]2(C)C[C@H]12	2315883682	QQTPBSFNANJIPF-INMHGKMJSA-N	243.394	4.719	0	10	BJAE	
CCC(CC)CCN1C[C@H](C)[C@H]1c1ccccc1	2316238718	FPEVAKTUKMZRTP-YOEHRIQHSA-N	245.410	4.506	0	10	BJAE	
CC(=CCN[C@H]1CCC2(CC2)C1)CCCC(C)C	2316491547	PNNJCJRXTOAIFX-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316792265	RQZYUUJSHBUEOC-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCCC(=O)c1ccc(F)cc1C1CC1	2317108431	ZPUXMQNVQWVNOL-NSCUHMNNSA-N	246.325	4.632	0	10	BJAE	
CCC1(Cn2c(C)cc3cc(F)ccc32)CCC1	2317529079	PZRYVOZJKIBBLF-UHFFFAOYSA-N	245.341	4.669	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1CNCCCC1=CCCCC1	2318581454	WWWOCTSQNPZYFA-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](CNCC(C)(C)C2=CCCC2)C1	2319025339	WXXWGEGZVDCKCZ-AWEZNQCLSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CC[C@H]2C2CC2)CC1	2319553323	LPZLEBWUFGTXNC-UAOKOLBASA-N	248.410	4.598	0	10	BJAE	
CC(=O)CCC[C@H](c1ccccc1)C1CCCC1	2319672512	SQPKURKWOBHQBI-QGZVFWFLSA-N	244.378	4.720	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC[C@H]1CC[C@@H]1C1CC1	2319694585	YYLUYXWZFWCDTD-OFQRWUPVSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C(=O)[C@H]2CC[C@@H]2C(C)(C)C)c1C	2320213426	MDHFRRXYUGNFMN-GJZGRUSLSA-N	244.378	4.558	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC(C)(C)C2(C)C)CC1	2320349388	YVEDTAWHQNICBU-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCC=C(C)C)c1cccc(C(C)C)c1	2320518061	ZHYWVWQLDJVNKJ-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CC[C@@H](C)C[C@H]2C)c1	2321091051	HBGIYZNWAUWETN-XHBSWPGZSA-N	249.373	4.625	0	10	BJAE	
CC(C)CC12CC([C@]3(N)CCCCC[C@H]3C)(C1)C2	2321594414	DNDMNGJVQCMNSY-VXLLPVPCSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC12CC([C@H](N)CC3(C)CCCC3)(C1)C2	2321594780	HUWVKGJSIAUOGX-ODIFPOPNSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NCC2=CCCCC2)c1F	2327782476	ZEFJVGKTMIEEIQ-UHFFFAOYSA-N	247.357	4.861	0	10	BJAE	
CCCCCCc1ccc([C@](C)(N)CCC)cc1	2327900971	XHOWSDLVXMXPAC-QGZVFWFLSA-N	247.426	4.783	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cccc2ccoc12	2328214423	WUVIJZBSYPFULX-GFCCVEGCSA-N	244.334	4.832	0	10	BJAE	
CCCc1ccc(N[C@H](C)c2ccsc2)cc1	50338998	DYYGCRHCHDKJNK-GFCCVEGCSA-N	245.391	4.874	0	10	BJAE	
Cc1cc(-c2ccccc2)ccc1C(F)(F)F	78100685	SPJGPDMGUQXLBF-UHFFFAOYSA-N	236.236	4.681	0	10	BJAE	
Cc1cccc(N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c1	80124353	YFHWUOGGYUALNV-JLJPHGGASA-N	243.394	4.622	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCC[C@H](C)CC1	83427385	WSNHXFFBHFDDHD-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc([C@H](C)Nc2c(C)cccc2Cl)o1	90525698	DCEDXRVLFFLMBR-NSHDSACASA-N	249.741	4.723	0	10	BJAE	
CCC1CCC([C@@]2(C3CC3)CCCCCN2)CC1	91875403	HRJMLQKULJNEHC-VMBOVVBDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C)c1ccc(Cl)c2ccccc12	93656115	AZFGBOLMWFRXBI-NSHDSACASA-N	247.769	4.554	0	10	BJAE	
CCN[C@H]1CC(C)(C)c2ccc([C@H](C)CC)cc21	94270529	LGQNMHOYLVWXIP-WBMJQRKESA-N	245.410	4.532	0	10	BJAE	
CCCc1ccc([C@@H](C)N[C@@H](CC)C(C)C)cc1	103974724	IFVSUSXXKZIJMS-PBHICJAKSA-N	247.426	4.724	0	10	BJAE	
CC[C@@H](CC[C@@H](C)N)c1c(C)c(C)cc(C)c1C	107657847	PTTWJSQWHDZCQZ-CJNGLKHVSA-N	247.426	4.541	0	10	BJAE	
CC(=O)[C@@]1(C)CCC2=C([C@@H]1C)C(C)(C)CCC2	113264230	YQYKESUTYHZAGG-ZBEGNZNMSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@@H](N)c1cc(C)cc(Cl)c1	124908526	BBPXGRKKLUPVBU-CQSZACIVSA-N	239.790	4.619	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C[C@H](C)CC(C)(C)C	163424911	IYCQDGSJBNRLKC-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
O[C@H](c1ccccc1C1CC1)C1CCCCCC1	167652827	XZNBQOZNSYVJRT-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
Cc1cc(F)cc(C(=O)CC2CCCCCC2)c1	169043263	YXJKHCMLOWJIRD-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC(C)(C)SCCCCSC(C)(C)C	196825856	XUWFGHCERHRUFK-UHFFFAOYSA-N	234.474	4.830	0	10	BJAE	
CC/C(=C/C1CCCCCC1)CNC(C)(C)C	211721409	VCHGASDRRHVDRD-OWBHPGMISA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)C(=O)c1c[nH]c2ccccc12	211925720	YOBRJEVNYAFPMC-UHFFFAOYSA-N	243.350	4.567	0	10	BJAE	
CC(C)[C@H]1CNc2ccc(C(C)(C)C)cc2S1	214912816	NOBLAGOAUBSGLJ-CQSZACIVSA-N	249.423	4.526	0	10	BJAE	
CCCCC[C@H](NCCC)c1cccc(CC)c1	228856369	REUCEQZRPCBLJK-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@@H]1CCC[C@@H](CC)C1	229481925	LJVJPPCDOOVUIZ-FVQBIDKESA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C(C)C)C2)c(C)c1	230985039	DPIJPFYSTZONMR-JKSUJKDBSA-N	245.410	4.930	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@@H](C)C2CCCCC2)C1	235386766	DQQITTCKAJQWPC-BPUTZDHNSA-N	249.442	4.537	0	10	BJAE	
Fc1cccc2c1NC[C@@H]2CCC1CCCCC1	236153797	CDHNTEYHVYNWIP-ZDUSSCGKSA-N	247.357	4.695	0	10	BJAE	
CCCCCC[C@H](C)NC1[C@H](C)CCC[C@H]1C	250841232	XVQKMAGDYWOSMJ-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
Cc1cc(C(C)(C)C)cc(C)c1C(F)(F)F	259203373	LBTVGUGUNDCWBD-UHFFFAOYSA-N	230.273	4.620	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc(C)c1Cl	300872047	KZPOFKWZTGRPGB-LLVKDONJSA-N	225.763	4.639	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CCC1CCCC1	302283358	VGCPTFIDAJCOOT-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](CCC)C1CC1	304397040	ZWMQBFJEAAOCJQ-CABCVRRESA-N	225.420	4.514	0	10	BJAE	
CCc1sc2cccc(Cl)c2c1Cl	306632841	COSXJTGPRKSLLE-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)CC(C)(C)CC3	307986385	NOGPTAKPEUOFSB-UHFFFAOYSA-N	241.378	4.806	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NC)c1ccc(C)cc1	308051232	HLOFNTBZSYZVFX-IAGOWNOFSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H](CC)CC(C)C	308083558	SVRWJKNADQPGDT-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
Cc1ccc([C@H](O)CCCC(C)(C)C)c(C)c1	309991220	PCGKDFLKVWFKQV-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@@H]2CCC[C@H](C)C2)C1	310111763	FTJXOTBWGCZJKV-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCCC23CCCCC3)[C@@H]1C	313008424	IHMHMCSLZXOUOF-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)n1[C@H]1CCCC12CCCCC2	313025191	MFTCLUPXKPPZRF-HNNXBMFYSA-N	231.383	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(CC)CNC(C)C	317891233	VWIPSFSDKXWTCZ-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@](CCC(C)C)(CNC(C)C)C1	318004167	YUSOBGZXKQWZIP-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@@](CCCC(C)(C)C)(CNC)C1	318060520	UPXTUJOKTIYDEK-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@]1(CNC(C)C)CCCC[C@H]1C	318131150	XEUOYKRIYMAJHZ-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@]1(CNC1CC1)CC1(C)CCCC1	318363676	XBLYJOPUMCFSCA-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CNC1CC1)CC1CCCCC1	318746354	OFWFQEPCPFLXCJ-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCC/C=C\c1ccccc1	323790623	DKRABCMGBLKELB-HFWIMWPKSA-N	245.410	4.504	0	10	BJAE	
C[C@H]([C@H](O)CC/C=C/c1ccccc1)C(C)(C)C	324066721	XHGCTBRXSISFLN-MVGYBYKRSA-N	246.394	4.523	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CCC2CCCC2)C1	379998463	WYXNWFYCYOGRGC-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCC[C@@H]1C	383176034	TYUDESTVKYWFOW-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCC[C@@H](C)[C@@H]1C	383327654	YTBNLBBWAAOIAE-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(c1ccc(C(C)C)cc1)C1CCCC1	387603178	WNRLHMHHVIGYNY-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CC/C(=C\c1ccc(F)cc1Cl)CCl	389164741	CERXGTRMBJNZFB-VMPITWQZSA-N	233.113	4.511	0	10	BJAE	
CCCN[C@H]([C@H]1CC[C@H](CC)CC1)C(C)(C)C	392974954	WSHGBKAPZLMAED-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](NCC[C@H](C)CC)c1cccs1	394466204	WCUDLZSSXCRSIY-CHWSQXEVSA-N	239.428	4.615	0	10	BJAE	
CC[C@@](O)(CCCC(C)(C)C)C1CCCC1	395717998	MJMMINKVVZCFAR-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCc1csc2c(C(F)F)cc(C)cc12	396194702	CWSZTUFCYOVOJG-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCOc1cc2cc(C(F)F)sc2cc1C	396244475	NRMCZYOHMLXSSK-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1ccc2sc(F)c(C(F)F)c2c1	396251221	RFKKCDIYTLILAB-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
N[C@@H](CCC1CCCCC1)CC(C1CC1)C1CC1	401011253	OKIYQWVKKSQYSF-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC[C@H]1CC=CCC1)C(C)C	402259979	GJEGWPBDIPKMQX-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(CC[C@H](O)CCC1CCCC1)C1CC1	406026114	JXGHTAWUDJKNMS-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(O)(CCC(C)(C)C2CC2)CC1	406069724	QRSRHJNSJDCCJD-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CC1(O)CCC(F)(F)CC1	688291666	NSYZJOFSZLCKBV-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
C1CC[C@H]([C@@H]2CCC[C@H]2CCCC2CCC2)NC1	688398384	LZSNTFVTIIZTSA-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CCC[C@@H](C)C2)c1	688934976	FSQDRAVLEDLPQM-HIFRSBDPSA-N	244.378	4.819	0	10	BJAE	
CCCC[C@H](C)[C@H](CCCC(F)F)NCCC	689057566	KJRZDCKNJSWNPR-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCCCC[C@@H]1CC	691172152	XSLOIJWURYDFIK-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@H](C)C(C)(C)C)c1	701486698	YQRUEIFXWNXYSR-WFASDCNBSA-N	234.383	4.526	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@@]1(C)C[C@@H]1C	704382841	NBYLDFWTTQMDGM-XKQJLSEDSA-N	245.410	4.507	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)CC1CCCCC1	704944067	WCOQBKRXKBSVLT-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CCC(C)(C)C	704952381	QUBZVBTWEHLYPE-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H](C1CCC1)C1CC1	705305192	UZJKHNNTZOSTKZ-OAHLLOKOSA-N	249.785	4.639	0	10	BJAE	
C[C@H](N[C@H](C)C1CCCCC1)[C@@]12CCCC[C@@H]1C2	709157640	WFQZIUINYHDGBN-WTTBNOFXSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](c1cccc(C(C)(C)C)c1)[C@H](C)C(C)C	709478839	AUPVNGDNQAHZOY-CZUORRHYSA-N	247.426	4.537	0	10	BJAE	
CC(C)C1CCC(O)(C[C@@H](C)C(C)(C)C)CC1	710738938	ODIROAOXCIWDFP-VQCLRJIVSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1C[C@H]2CCCC[C@@H]21	712425519	QWVHSYWILGHXNI-UKPHBRMFSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)CC[C@@H]2C)cc1C	713056481	DUKQMZOKOMFLLL-XJKSGUPXSA-N	245.410	4.930	0	10	BJAE	
CCC(CC)(c1ccccc1)[C@@H](N)CC(C)(C)C	713143083	UGQXPJOYMRQUFP-HNNXBMFYSA-N	247.426	4.508	0	10	BJAE	
CCc1ccccc1C(=O)CC(C)(C)C(C)C	713366651	UBHZRYHJFCUZNZ-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CCC12CCCCC2	718697350	WCFAMTWOHZZUGD-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCCCC[C@@H]1Nc1ccsc1	719224758	VKKZPJSTNDSZPT-LBPRGKRZSA-N	223.385	4.519	0	10	BJAE	
C[C@@H](SCc1ccccc1)c1ccccc1F	1188538370	BREVAGMREINMSG-GFCCVEGCSA-N	246.350	4.820	0	10	BJAE	
C[C@H](CC(C)(C)C)NC1CCC2(CCC2)CC1	1560496166	FWVZEZJVNAXILX-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)Sc1ccc2ccccc2n1	1613254524	CHLCIXJTVIBTAD-NSHDSACASA-N	231.364	4.516	0	10	BJAE	
C[C@H](NCCC1=CCCCC1)[C@H]1CCC[C@@H](C)C1	1659015841	FQNUYZILBBTTMC-VYDXJSESSA-N	249.442	4.681	0	10	BJAE	
CC(C)Cc1ccc(SC(C)(C)C)cc1	1775954562	RGUZYYFAMJVLMG-UHFFFAOYSA-N	222.397	4.776	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)c2cccs2)C1	1902279052	ATTGUDZCQSEPCE-LLVKDONJSA-N	236.380	4.537	0	10	BJAE	
CCCN[C@H](C)C(C)=CC1CCC(C)(C)CC1	1911535072	OMHIIULRIORLJE-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@H](N)CCC=Cc1ccccc1	1911977119	GXQQYXLVUUTMMZ-MRXNPFEDSA-N	245.410	4.634	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C1CC2(CCCCC2)C1	1912625276	MRGCMVJOABHYOA-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H](NC1CC2(CCCCC2)C1)C1CC1	1912732317	MFUGKRHILVIJTG-HNNXBMFYSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H]1CCC2(CCCC2)C1	1916403264	WJFWIBBYLXLZKT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(N)CCC2(CCCC2)C1	1916433049	XXEXFMJWINDTLZ-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(CNC2CC2)C=CCCC1	1916614154	AJIATAWZJQVHDT-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@@](O)(CC)c1ccc(CC)cc1	1919611840	VXZJTKZGZGOTAZ-PBHICJAKSA-N	248.410	4.673	0	10	BJAE	
C[C@@H](C(=O)CCC[C@@H]1CC1(C)C)C1CCCC1	1924131134	RUWMGBXFJHDVRE-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
Clc1sccc1NC[C@@H]1C=CCCCC1	1925919592	FVCLYLLEAFCANM-SNVBAGLBSA-N	241.787	4.560	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCCC1)C1CCCCCC1	1925946170	QUMGKQPONGYZAM-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC1CC(C)C1)NC	1927027196	OVCSCYGFRPETQV-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NC)[C@H](CCC)C(C)C	1936206602	IBBYINBIMKJSDJ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC(C)CC[C@@](C)(O)CCCCCC1CC1	1936409756	GKIWUXISLWYFNW-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)C1(O)CCCCCCCCC1	1938719287	RZNIYNJTDSLVNI-UHFFFAOYSA-N	226.404	4.678	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)[C@@H](C)CC(C)C	1939031692	LTPCGKFQQKKVAJ-GJZGRUSLSA-N	226.404	4.556	0	10	BJAE	
CCCCC[C@@]1(CO)CCCC(C)(C)CC1	1939894534	DNPFKKLIXDPJOV-OAHLLOKOSA-N	226.404	4.536	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC1(C)CCCCC1	1940408851	MONAADAOVODGCZ-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1CC1(C)C)[C@H](C)CC	1940873534	RFWFSBWWVFDWFT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(OCCC[C@@H]2CC2(C)C)c1	1940874694	VMULRNLFNTZEHQ-CQSZACIVSA-N	232.367	4.509	0	10	BJAE	
CC[C@H](C(C)C)[C@H](CCC1=CCCCC1)NC	1941262822	JMCTYGIBYKCKLM-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
N[C@@H](CCCCCC1CC1)CCC1CCCC1	1941587818	WFFATIWNVFCFDU-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C[C@H](N)[C@@H](C)CCC(C)C)C(C)(C)C	1942658064	OSYFYWFEZFSQNW-ZNMIVQPWSA-N	241.463	4.848	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CC[C@H](F)C1)CC(C)(C)C	1945193790	HGAKLXIYZQFYOB-UPJWGTAASA-N	242.378	4.546	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NCCC1(C)CCCCC1	1945432093	JYRMLSFKQMHURN-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@@H]1CCC(C)(C)C1	1945599397	PKSZJQYXTBSONG-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1C[C@@H]2CCCC[C@H]2C1=O	1946324995	KSTRQJUAAYOZIY-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CC[C@@H]2CCCC[C@@H]21	1946371768	YGOVSBAGOTUJBM-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@H]1C=CCCC1	1947552707	QZBZVNIORSSMSL-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CCCCC12CCC2	1947913534	JQLMQBSETWYTED-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)CCC1CCCCC1	1948332127	KCQVKEPTINARGM-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CCCC1CCCCC1)NCC	1948426017	SZXYPVVSVNFFJU-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)c1csc2nc3c(n12)[C@@H](C)CC[C@H]3C	1948482557	PCXGFWFURWAZOI-ZJUUUORDSA-N	248.395	4.520	0	10	BJAE	
CC[C@@H](CC(F)F)C[C@H](N)C(CC)(CC)CC	1949022818	OLJRIAXHYOCADE-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CCC[C@@H]1CC1(C)C	1949053174	XNBQRXLCDNRKPD-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@@H](N)CCC[C@@H]2CC2(C)C)CCC1	1949054284	LDUXVUCHROSBJB-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CC2CCCCC2)CC1	1950930161	MYPOJYLGBSOTKI-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCCC1CCC(CN[C@H](CC)C(C)C)CC1	1963217334	VMQVVGBTRGPXQT-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
Clc1ccccc1N[C@@H]1CCCC2(CCC2)C1	1968256143	JFVLZQWGCNHTBY-GFCCVEGCSA-N	249.785	4.865	0	10	BJAE	
Cc1cc(C)c(NC[C@H]2CCC(C)(C)C2)c(C)c1	1968256988	RTAMMJAIFZZIFF-HNNXBMFYSA-N	245.410	4.850	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCC3(CCC3)C2)cc1	1968294648	PKJPWQMJVQKBLL-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CCc1ccccc1NC(CC1CC1)CC1CC1	1968359460	BDIXZPPUACYRNJ-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CC1CCC(CNc2ccccc2C2CC2)CC1	1969416914	PEIUHPRFKDGVDZ-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
Cc1cc(O)cc(-c2cccc(C3CCC3)c2)c1	1970544167	LUTNNNGIKUVQSY-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
C[C@@H]1CC[C@@H](CNc2cccc3ccsc23)C1	1971684786	HCEJHMPUYPSNJS-VXGBXAGGSA-N	245.391	4.749	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1CC[C@@H](C)C1	1975789842	BVMKWLZXANGUKX-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@H](C)CC(C)C	1986936597	FVZUFXISONQLOY-CABCVRRESA-N	227.436	4.602	0	10	BJAE	
C[C@@H](Nc1ccccc1Cl)[C@H]1CCC1(C)C	1987994345	JSMWGHJNVHRTGX-GHMZBOCLSA-N	237.774	4.577	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CC1(C)CCCCC1	1989858980	DDOFBOBMFXJUKQ-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)NCC(CCC)CCC	1990049475	PDRZTSWIHHJHGP-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@@H](C)CC(C)(C)C	1990893911	QDVKOUVUMANTDY-KGLIPLIRSA-N	227.436	4.568	0	10	BJAE	
Cc1sccc1COc1ccccc1C(C)C	1996034664	BOWVKFLGIGOTNL-UHFFFAOYSA-N	246.375	4.759	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)C(C)(C)C2CCCC2)C1	1996230417	UAHKEDYUFAJNSQ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)c1csc(C23CCC(CC2)C3)n1	1997058280	AGYRPHYKJWQAMZ-UHFFFAOYSA-N	249.423	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CCC=C(C)C)CC1	1997106402	UPMBTTYXJNABND-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1CC(C(C)(C)C)C1	1998234280	GLBNKMOYAOKNOX-IYXRBSQSSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1C[C@H]2CCCCCC[C@H]21	2001490291	LEEAVZJEDCKGGO-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(NC[C@]2(C)CC=CCC2)c1Cl	2001702182	XSZMKSUWDKODMT-OAHLLOKOSA-N	249.785	4.807	0	10	BJAE	
O[C@H](C1CCCCCCCCCCC1)C1CC1	2001966762	KYFIBAXKMUGZFP-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1CCCCCCC[C@@H]1O	2003112725	XOEJBLDHSLLXCV-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)C[C@@H]1CCCCCCC[C@H]1NC	2003118288	QZXIGLBQEJBYKC-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCC12CCCC2	2004712914	VOBCLTOOKGEAFU-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCCCC23CCC3)s1	2005567013	YZNSOFWQAHXADJ-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](CC2CCC=CCC2)C1	2006667017	OKYAAWZRMXFNQV-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2CCC[C@H]2C)CC1	2007682564	BDOPGFKIFWZWRQ-MYMJJRTCSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H]([C@H](C)CC)C1(C)CCC(C)(C)CC1	2007698968	VPGYAKVDLKATPE-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1CCC(C)(C)CCC1=O	2009403964	JDKHDGNKHARAPH-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CC[C@H](N)[C@H](CC2(C)CCCCC2)CC1	2009405579	AFCGFHLKNFINJB-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](O)(CCC2(C)CC2)C1	2009543564	HTVSSEZQUMUEDK-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H](C)C1CCCC1	2009616169	GMTFYVNFFCDQOY-WQDDEOEWSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](CC)C[C@@H](NCC)C1	2009620014	QMIMJNKGSPLZGQ-BKBYIFCJSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCC[C@@H](N)C1CCCCCCC1	2011567991	HIVPOJIIQFHBEH-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1c(F)cccc1F	2013263182	GBCRAHYLKBFVGQ-LLVKDONJSA-N	241.325	4.592	0	10	BJAE	
CSc1ccccc1N[C@@H](C)[C@H]1CCC1(C)C	2014903976	RFINJMGVDGWYIX-NWDGAFQWSA-N	249.423	4.645	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(N)CCCC[C@H]1C(C)(C)C	2015393241	BMRJHILOAPBINL-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C(=O)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017123784	CZKKNWORHZGCFB-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC[C@](C)(NCC2(C)CCCC2)C1	2017612607	JWOWPJTWCBYVEF-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)C[C@H]1CC[C@H](C)CC1	2017723834	VODQTEWVHUZTFI-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](C)(N)CC1CCC(CCC)CC1	2017728542	MTJNJWVVLFHDAR-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
CCC1CCC(CC(C)(C)C[C@H](C)NC)CC1	2017734858	DBVSHSQMZKEFDN-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC[C@H](N)C2)CC1	2017736445	YCFWEMXISTUYKS-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@H]1CC[C@H](C)CC1	2017765406	IHCZHOXIXDNZOD-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCCCC2=O)CC1	2017771853	YTBZGGKLXWWVIJ-NRXISQOPSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C[C@H]2CC[C@H](C)CC2)C1	2017773970	IISZFJLKCHTNBG-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@]1(C)NCC1CCCCCCC1	2017868803	OLMOSQDNGCXEJV-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CCC[C@H](C)C1	2018130565	JVTLHMDXFVQLQU-ARFHVFGLSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	2018139523	SJNCYXVIOALKIV-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CC2(CC)CC2)CC1	2018966615	CMXUGXYMYMHLAX-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@]2(CCC)CCCCCN2)CC1	2018990723	HEMBAEMGWRMTFY-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CC=CCCC[C@@H]1CCCC(C)(C)[C@@H]1NCC	2020364501	RABSEFRNDBEEDW-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](CCC2=CCCCC2)C1=O	2020397099	NSBGCZCQKZWUEC-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC(C)C(CCC(=O)[C@H]1C[C@@H]1C(C)C)C(C)C	2022414919	OEYIEIMRMYHPGB-CABCVRRESA-N	238.415	4.556	0	10	BJAE	
CCC[C@@](C)(CC=C1CCC1)CNC(C)(C)C	2023261020	YHVIWGUCQDQCRD-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(C)c(C)c(CC[C@H]2C=CCCC2)c1	2024069779	BBNAKVFDFZORGX-INIZCTEOSA-N	228.379	4.901	0	10	BJAE	
CCN[C@H](C)[C@@H](CC)C[C@H]1CCCC(C)(C)C1	2024101473	KXDSYBDNQCGCNG-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(O)CCCC2(C)C)C1	2024128561	NPDUPNCZGLGPPR-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc2[nH]c(C3CC(C)(C)C3)cc2c1	2024288394	AHAPIHULROYLIY-UHFFFAOYSA-N	227.351	4.634	0	10	BJAE	
CC(C)[C@H]1CC[C@@](N)(CCCCCC2CC2)C1	2025628091	AQBAOBULQOLXIO-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CCC(N[C@@H]1CCCC(C)(C)C1)(C1CC1)C1CC1	2026992570	XSLRWVAFLHPJBU-OAHLLOKOSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C[C@H]1CC=CCC1	2027731824	HPLGFWSSCXEIQW-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@H](NCC)c1cccc(C2CC2)c1	2028551154	CINPQUUPLQDOEB-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC2CCC=CCC2)[C@H]1C	2028868951	BEBQHQBWDMGLGE-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)[C@H]1CCCC[C@H]1C	2028897329	KZHDDMIBTDUVCD-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1CC1(C)C)C1=CCCCCCC1	2032426106	DMOPSHYPBRDNOL-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC1(CNC[C@H]2C=CCCC2)CCCC1	2035586448	BLAXLRBZXIHTFE-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)Nc1ccc2c(c1)CCC2	2036381624	GXTHBTKPDFTWIY-ZIAGYGMSSA-N	245.410	4.658	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@@]1(N)C1=CCCCCCC1	2037073746	NFNKCWAKGUMQAP-USXIJHARSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@@](C)(N)CC(C)(C)c1ccccc1	2037171706	AVHJTLVDQOGBPE-QGZVFWFLSA-N	247.426	4.652	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@H]1C1CCCCCC1	2037225271	UEVWRBVVFRZSSX-SUMWQHHRSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1CC[C@H](N(C)[C@H]2CCC3(CCCCC3)C2)C1	2037678604	LXPUWRNCPAFCRS-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC[C@@]1(C)C[C@H]1NC1CC2(CCC(C)(C)CC2)C1	2038935637	VVUANKGHSXZVGY-ZBFHGGJFSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N)(CC1CCCC1)C2	2038941637	VICIYGIRFPQVQJ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](C)CC(=O)C1CC2(C1)CC1(CCC1)C2	2039424386	OZSJZYCVTWIWBN-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@@H](N)CCCCCC1CC1	2039443306	ZJHAQZLTAUKINO-HYVNUMGLSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)C2(CC)CCC2)cc1	2039726774	OHVAUEFMAWXEKQ-CJNGLKHVSA-N	246.394	4.814	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H](C)C12CCC(CC1)C2	2039855105	OYNZRWXHPBSPOI-KLAILNCOSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2(CNC3CC3)CCCCC2)C1	2040181096	GWOISVCBAQSRQE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@]1(N)CCCC2(CCCCC2)C1	2040765154	MOKDUWKUIRKQSW-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
c1cc(C2CC2)ccc1NCC12CCC(CC1)C2	2041249879	XVTWUIGOGSWRAY-UHFFFAOYSA-N	241.378	4.556	0	10	BJAE	
CCN[C@H](C1CCC(CC)CC1)[C@H]1CC=CCC1	2042024560	MUBWHOBSCCXTQD-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@H](C)CC1=CCCCC1)C1CC(C)(C)C1	2043547416	PUVKVEXOHFBQOG-KGLIPLIRSA-N	249.442	4.680	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)c1ccc(F)cc1	2045309910	ADQGGOQQVFIMQV-CYBMUJFWSA-N	246.325	4.535	0	10	BJAE	
C[C@H]1CCCCC[C@H]1N(C)CC1CCC=CCC1	2045312977	SVBZXSVDIFMNQD-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@@H]1CCCC(C)(C)C1	2045529399	LWKYZKOAXSHHKK-GOEBONIOSA-N	245.410	4.648	0	10	BJAE	
C[C@H]1C[C@H]1c1ccc(C(=O)CC2CCCCC2)o1	2045562052	NJBZAIQYEGZIPI-WCQYABFASA-N	246.350	4.556	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCCCCC2)c(F)c1	2045609189	YSISDLUZSJQNHX-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1[C@H]2CCCCC[C@H]21	2048385791	PQVIWYLAQBBAPG-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
O=C(CCC1CCCC1)C[C@H]1[C@H]2CCCCC[C@H]21	2048473959	WJSVDGLXBSXQCA-BJWYYQGGSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](N[C@H](C)[C@@H]1CCC[C@@H](C)C1)c1ccco1	2049570219	JWXVDPZTRSZILN-TUVASFSCSA-N	249.398	4.535	0	10	BJAE	
CCCCCC1CCC([C@@H](N)c2ccoc2)CC1	2049635901	CCBMPAVBXPVZHD-ZBCRRDGASA-N	249.398	4.666	0	10	BJAE	
C1CCCCC(NC2CC(C3CCC3)C2)CCC1	2049647829	WOWGIDXKWYSCBI-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2049674964	IRDDOTKJAJELDL-QLPKVWCKSA-N	249.442	4.658	0	10	BJAE	
CCC1(NC[C@@H]2CCCC3(CC3)C2)CCCCC1	2049852634	HPCPETAZEQUKIA-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC(C)CCC(=O)Cc1ccccc1C(C)(C)C	2053968735	ATNCOMBREIIYNH-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
C[C@@H]1C[C@H]([C@H]2CCCC[C@@H]2F)Nc2ccccc21	2055185381	LWBOAOLPZLJTHK-AOLWHUPESA-N	247.357	4.503	0	10	BJAE	
C[C@@H]1CCC[C@H]1C1(N)CC2(CCC(C)(C)CC2)C1	2055281511	AIXAFQXPBPOKPI-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](N[C@@H]1C=C(C)CCC1)c1ccc(C)cc1	2055552901	UFDNERJIRMHLMB-DLBZAZTESA-N	243.394	4.535	0	10	BJAE	
C[C@H](NCC1(C2CC2)CCCC1)C1CCCCC1	2057604681	UXCHOOBAFSSVJE-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCCC(=O)c1cccc2ccccc12	2059197664	ICIVXDBNVNUEGZ-NSCUHMNNSA-N	238.330	4.769	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](C)CC[C@@H]1CNC1CC1	2059250960	VOCHWSQOSBRZKY-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CC[C@H]1CCCC[C@@H]1C2	2059467515	RCZNOTRJLMEUOV-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)CC2CCCCCC2)CC1	2061150686	NEKBASZRXXSCQE-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
C=C=CCC[C@]1(CNCCC)CCCCC1(C)C	2061563435	OUEMMCAKBIJUGG-QGZVFWFLSA-N	249.442	4.694	0	10	BJAE	
C/C=C/CCC[C@H](C[C@]12CCC[C@@H]1C2)NCCC	2061619102	YUGOEUSMTULHNW-KTGDWTQYSA-N	249.442	4.681	0	10	BJAE	
CC(C)(CC[C@]1(N)CCCCCC12CC2)C1CC1	2062009507	NMMKVVFTGIVQHV-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)C1CC2(CC2)C1	2064497800	NFHSKOJOASZCGB-ZDUSSCGKSA-N	243.394	4.630	0	10	BJAE	
CC1(CCC(N)(C2CCCC2)C2CCCC2)CC1	2065934958	JLSDULKQTOJFMN-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CC(=O)c1ccc(C2CCCC2)cc1	2071478275	IWWIVNDRJODOJF-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CC1	2072682408	VAFCIFODYBAFIQ-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CC[C@H]3CCC[C@@H]3N2)CC1	2072813986	XZYNFXYXRAPVOP-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
CC(C)NCC(=C[C@@H]1CCCC2(CC2)C1)C(C)C	2073791481	RJRAOYUVANYXGC-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@@]2(CNC3CC3)CCC[C@H](C)C2)CC1	2074624588	SPFJZJIMIWBZGY-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H]2C[C@@H](C)Nc3ccccc32)CC1	2074635696	FPSQHCKOYGNVCG-KGLIPLIRSA-N	243.394	4.945	0	10	BJAE	
CCC[C@@H]1CCCCN([C@@H](C)c2ccccc2)C1	2074793106	PXIHOQPSBJOLCF-JKSUJKDBSA-N	245.410	4.650	0	10	BJAE	
C1=C[C@H](N2CCC[C@@H]2C2CCCC2)CCCCC1	2074797755	UCKYBWQTCKYEQO-DLBZAZTESA-N	247.426	4.530	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1c(C)cccc1F	2075980947	MVMGHDPEJMFCLT-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1	2079491076	GSTKHZMNXKVRJV-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@H]1C1CCCCC1	2079529480	LWKIMLCOZCBCFC-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1C[C@H]1C[C@H]1C[C@@H](C)Nc2ccccc21	2079662225	UDEQGUAQWDRGBK-IXYNUQLISA-N	243.394	4.657	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CC1(N)CCC2(CCCC2)CC1	2079870700	NHYUELCCBCQDCS-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
FC(CNc1ccc(C2CCC2)cc1)=C1CCC1	2081670561	PEHLXCOSTFHCPN-UHFFFAOYSA-N	245.341	4.774	0	10	BJAE	
CC[C@@H]1CC[C@](CNC(C)(C)C)([C@@H]2C=CCC2)C1	2081681823	HGVGXFYPSRXVOI-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CC[C@@H](C)[C@H](C)C1	2081946693	KFDFUERNYORVDF-LALPHHSUSA-N	249.373	4.625	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2CCNC3(CCC3)C2)C1	2082975409	IQBFBBDLWZRWSC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC1C2(CCC2)C12CCC2	2083569156	LLGPPRXLVJVPSV-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
Fc1cc(CC=Cc2ccccc2)ccc1Cl	2213824433	GTJMUWHJEYJRAN-UHFFFAOYSA-N	246.712	4.735	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@@H]1CC=C(C)CC1	2215833587	KTFZDOLJRXZQQU-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)[C@H](C)CC(C)C	2217133446	AOZLAQMXRXRVRU-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC1(CC[C@H](N)CC2C[C@H]3CCC[C@H](C2)C3)CC1	2218353441	IKZNLBLQAPFOBY-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1NC[C@H]1C[C@H]2CCC[C@H](C2)C1	2218362191	UXBDRDBNNZPHBC-MUJYYYPQSA-N	243.394	4.623	0	10	BJAE	
CC1(C)CCC=C[C@H]1NCCCCCCC1CC1	2218728236	VDNIOAUKFVDNJN-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC1(C)CC2(CCC2)C1	2220934274	AATBUPBWMIFQCO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)c1ccc(C(C)C)cc1	2220960935	OKTUPVFZAFGBQK-BBRMVZONSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CC(C)(CN2CCCC23CCCCC3)C1	2221091368	WMNRWGLBJCZNCA-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CN[C@@H](C1CCC(C)CC1)[C@@]1(C)CC=C(C)CC1	2221621438	DNQJHIZPTLAEMQ-KMZOKZLKSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@]12CCC[C@H]1C2	2223159243	NAEDJUAPLIVEIR-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CCC(CC)(CN)CC[C@H]1CCCCC12CC2	2246621410	VTZZVQDEHLJROX-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](C)(O)CC(C)(C)C)C1	2246687099	LWTXOCAUEDTVOC-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC[C@H]1CCC[C@H](C)C1	2246725500	IFKWBWKUDJZRQP-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCC1([C@H](O)c2cc3ccccc3s2)CCC1	2246943625	CUGNTYVMIPHFFM-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H]1CCC(C)(C)CC1=O	2247121058	OXKHANQDPDPLDC-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)cc(OCCCC[C@@H]2C[C@H]2C)c1	2247121085	PECUFEIFRAAZBM-HUUCEWRRSA-N	232.367	4.509	0	10	BJAE	
CCCCCC[C@H](N)CCCCC[C@H]1C[C@@H]1C	2248809132	QFWIEJIQUSXUTB-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](C)(O)CC1CCC1	2248868832	DOTLWMNFKXHZFX-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1(C)CC(C)C1)NCC	2250351872	HNQIBBUOAFAION-FYRZTWFESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CNCC(C)(C)C1=CCCC1	2250378460	NUOKOMUNWFFLOJ-AWEZNQCLSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](CC)CN[C@H](C)CC1=CCCCC1	2250390661	SQXOBSFULADINS-CABCVRRESA-N	237.431	4.681	0	10	BJAE	
C[C@@](N)(CC1CC2(CCCC2)C1)C1CCCCC1	2254112966	HOQBYVNOGBGRPP-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)CC[C@H]1CCCC12CC2	2255251029	ZWNPYSGQHKOVQG-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC[C@@H]2CCCC23CC3)C1	2255314312	AATQBCBLQHDLBX-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNC1(C2CC2)CCCC1	2257314534	GSCBDVMTONIJMY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](CNc2cccc(C(C)(C)C)c2)C1	2257956577	MZCJXBNDNXDNKE-ZIAGYGMSSA-N	245.410	4.832	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cc2cccc(C)c2o1	2259461698	ATTCVXYTZDGGKW-WFASDCNBSA-N	245.366	4.567	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@]12CCC[C@H]1CC2	2260500286	JNMMVBVMDMSBHW-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H](C)CC2CCC2)CC1	2298895235	FHGQSYBTKAKCSA-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCCC[C@H]1C[C@H]1C	2300508000	NZJOEDKPIPIQHT-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CCC1CCC1	2300903673	HCAMBDQXDBWOAM-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CCC2(CCCCC2)C1	2300904271	MZQMRADLZNIDBH-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CN[C@@H]([C@@H](C)[C@@H](C)C(C)C)[C@H](C)CC(C)(C)C	2301824126	AKFCZJQRHZVCPO-CBBWQLFWSA-N	241.463	4.575	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@@H](C)[C@H](C)C(C)C	2301841056	SEFCFEWIYFJLOX-OWCLPIDISA-N	241.463	4.721	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@H](C)C(C)C)cc1C	2301963008	XYPBTVBVOYMXHR-ZIAGYGMSSA-N	233.399	4.650	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C(C)C)CCC(C)=C(C)C1	2303585875	YFWFJPIVNGFWEA-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)NCC[C@@H]1CCC(C)(C)C1	2304358873	DASWPDLJGWEYSR-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC[C@@H]1CCC(C)(C)C1)NC	2304415831	NGKNHOBUDPMJNS-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1c(C)cccc1C	2307892532	FCLPUKUUZKSNMD-CABCVRRESA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@]1(C)CC=C(C)CC1	2307899761	RORMVQGMUSXAFX-ARFHVFGLSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@H]1CCCC[C@H]1C	2307901214	XVNALJYRTZQSEC-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](N)CC[C@@]12CCC[C@@H]1C2	2310373597	CPGKBADTRZPZFI-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)[C@@H]1C[C@H]1CCC	2311515301	GAQYHTGIEHXQNM-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCC[C@]1(C[C@H]2C[C@@H]3CC[C@H]2C3)CCCCCN1	2312888056	VFXBTEPSARISHO-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)[C@@]12CCC[C@@H]1CC2	2313296450	ZITMEMBQRLQAHK-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H]1C[C@@H](C)c2ccccc2N1	2313642837	VYQYJSQSVXQJTK-IGCXYCKISA-N	243.394	4.801	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1ccc(F)c(C)c1	2316501063	DZYLLFPGZJAOMF-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2317933101	BQCATMUFXTYOEP-PHZGNYQRSA-N	246.394	4.662	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1cc(C2CC2)ccc1F	2317989302	JXUMHRPQCNKHRK-NEPJUHHUSA-N	249.373	4.796	0	10	BJAE	
CC1CCC(CNCCCC2=CCCCC2)CC1	2318531937	RLAMKRXWVNXIHA-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCCCc1nccn1CCCC1=CCCCC1	2318588866	KVDWVNDGMGLPSJ-UHFFFAOYSA-N	246.398	4.506	0	10	BJAE	
CC1(C)CCC[C@@H](CCCC2=CCCCC2)[C@@H]1N	2318594750	JBBFFBSDEQJMAF-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC2(CC(CC[C@H]3CCCC[C@@H]3N)C2)C1	2318803828	NVFUSZQEYNBUEU-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(N)CCC12CCCC2	2320259108	RBLLPKWVDLQKGV-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)c1cccc(C(C)C)c1	2320522720	DRXSFHZWGCZFDA-UKPHBRMFSA-N	245.410	4.636	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H](CC1CC1)C1CC1	2320694931	FFZKDNUJFQZDQK-KRWDZBQOSA-N	239.362	4.701	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@@H]2CCCC23CCC3)C1	2321528244	IRFZMYGPMCCEJK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C2CC(C3CC3)C2)C1	2321619108	JASMXYAGPRVUEF-LRVUVFPRSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@@H]3CCC[C@@H](C)C3)(C1)C2	2321639951	QCWLEMUDBKZYBK-QBBMROGASA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@H]2C[C@H]3CC[C@H]2C[C@]3(C)N)CCCCC1	2327773558	LOHDPULOULJDEE-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](Nc1ccccc1)c1cccc(Cl)c1	20552419	MSFIHSQVWPDJHG-OAHLLOKOSA-N	245.753	4.903	0	10	BJAE	
CC(C)Nc1ccccc1SC1CCCC1	37123510	MEAQWNGQKMLXOU-UHFFFAOYSA-N	235.396	4.542	0	10	BJAE	
CC[C@@H](Nc1ccc(C(C)(C)C)cc1)C(C)C	37196536	CIOGJTIJEVXGJL-OAHLLOKOSA-N	233.399	4.831	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H](C)c1ccc(C)cc1C	70105796	MMCLXOIBGIMCDK-HOCLYGCPSA-N	245.410	4.533	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC(C)(C)C2)c1C	79971229	NOJNTFCETOFGBZ-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
CC1(C)CCC(N[C@@H]2CCCC(C)(C)C2)CC1	79979352	HVHYUFJSZDARNZ-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC(Oc2cccc(Cl)c2)CC1	85150670	RGGDKPBTBSKCNA-UHFFFAOYSA-N	238.758	4.688	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CCC(C)(C)C)CC1	86939927	PQYMPNGMGVMHFZ-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)c2cccc(C)c2C)C1	87988512	KEMIJUHIGGRELU-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](O)C2CCCC2)cc1	90484765	ZSHBLRDKQDGUNM-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@](CC)(CNCC(C)C)[C@@H](C)CC	94678141	KTFJOAUABYDIMP-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCCCCC(C)(C)CNc1ccc(C)cc1N	94983644	NFQLRMBTZAVSLG-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCCC[C@@H]1NC	103938882	WYQMVNWWULKDJS-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1NCCC	103949283	DMBRTXQAPZLCSU-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)Nc1nc2cc(C)ccc2s1	104163929	DAHPUFVGNOMTIF-LLVKDONJSA-N	248.395	4.595	0	10	BJAE	
CCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1NCC	109666402	MVCXWXHQDPHCSE-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@H](N)c2ccc(C(C)C)cc2)CC1	109736733	HCKFMKCNUASUGR-PGEKIEPBSA-N	245.410	4.636	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C2CCCCCC2)c(C)c1	112909168	VHJINVXCBFZYAA-KRWDZBQOSA-N	246.394	4.616	0	10	BJAE	
CCCc1cccc([C@H](C[C@@H](C)CC)NCC)c1	131576299	ZEBPKOJRRJRHEP-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CCC(CC)C[C@@H]1CCC[C@@H]1CNC(C)(C)C	150078266	PFENWDKLBYCANB-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(=O)CC1CCCCC1)c1ccccc1	164860100	TUZAPZUZWBFJNO-MRXNPFEDSA-N	244.378	4.720	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)c2cccc(C3CCC3)c2)C1	168877303	GGPYVPWQVKLSKN-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
Cc1cc(O)cc(-c2ccc(C)c3ccccc23)c1	199580500	CHZYPIIOAXTPKO-UHFFFAOYSA-N	248.325	4.829	0	10	BJAE	
C[C@@H]1CC(CC[C@@H](N)c2ccccc2)C[C@@H](C)C1	220380574	IKJOGECLVIWDQC-GRDNDAEWSA-N	245.410	4.539	0	10	BJAE	
C=C/C=C\CCCc1cccc2ccccc12	220536949	NVHBKDOMRBPHLH-ARJAWSKDSA-N	222.331	4.905	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1NC(C)(C)CC(C)(C)C	221913489	JJQUTBLQEWQVJP-RDBSUJKOSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](O)c2ccc(C)cc2C)C1	226983763	UIXICQGBCYGSKQ-YQQAZPJKSA-N	246.394	4.553	0	10	BJAE	
CCCCCC[C@H](NCC)c1cccc(CC)c1	228849404	WCGWNMRIGDHJFE-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC12CCCCC2	230166755	IFCYQDKWFZMQOJ-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC(C)CCCCCCNCCCC(C)C	232607856	JLRIPIOMXCOCBO-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCC1(CN[C@@H](C)c2cc(C)cc(C)c2)CCC1	233082703	MJFRLOWWXYVRPT-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCC/C=C/[C@@H](CCC)Nc1ccccc1	238215477	JRZFBQIKQDTVAO-DPQIITEBSA-N	217.356	4.624	0	10	BJAE	
CCc1nc(-c2c(C)c(C)cc(C)c2C)cs1	259332385	QGPWWUVNUHQPMW-UHFFFAOYSA-N	245.391	4.606	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@H]1CCC[C@H]1C	300280750	XEZORPMNQBTYEG-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@@H](C)CC(C)C	300894467	KFRPDOSEHMZKMN-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCc1ccc([C@@H](CCCC(C)(C)C)NC)cc1	302264408	FUQCEQGWVGDEGT-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](C)[C@H](C[C@H](C)CC(C)C)C(C)C	302285639	FRPHDRUUQWQSNG-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CSc1cc(C)c2sc(Cl)cc2c1	307102242	BQYDVMHENYNOST-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)c1ccccc1CC	308053718	NFVFSRLDKBNGAK-WBVHZDCISA-N	247.426	4.711	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CCCC2)C(C)(C)C	310254101	KYACHCUVTQBEBG-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC[C@@](O)(CCC1CCCC1)c1cccc(C)c1	310714044	VTXXPWYXFZRMLB-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CC3CCC2CC3)CC1	311106763	VNFRDKYAGMXQEN-LKRQVQDUSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C(C)(C)C(C)(C)C)cc1C	311137626	FJOMOORGULJBGD-OAHLLOKOSA-N	247.426	4.684	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNCC)CCCC[C@@H]1C	317496935	KZVGJKKIUIHSHX-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@]1(CNC(C)C)CCC[C@H](CC)C1	317710876	IDLXFELHXQCCJG-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](Nc1ccc(C)cc1F)C1CCC1	322285208	PEOOBUGEBGMVMX-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](O)c1ccoc1Cl	383491942	GEDQPDXHUFUBEH-LBPRGKRZSA-N	244.762	4.573	0	10	BJAE	
Clc1ccccc1NCCC1=CCCCC1	384933299	HTNAQOVBUMIVEC-UHFFFAOYSA-N	235.758	4.642	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)c1cc(C)ccc1C	401515857	KXQAZZJHAGLAIE-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)C1(CC)CCCC1	402331691	HYBXQANFNYVFRU-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](N[C@H](C)C(C)(C)C)c1cccs1	686247204	CADYATZJLNAODT-NEPJUHHUSA-N	239.428	4.614	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(C2CC2)cc1	690087573	HJODLAWUOVVVOZ-CYBMUJFWSA-N	231.383	4.945	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cccc(N)c2F)cc1	690174603	RSOWANZGXAQRCL-NSHDSACASA-N	243.325	4.588	0	10	BJAE	
CCCC[C@](N)(CC)[C@H]1CCC[C@@H](CC)C1	690430160	MLRAOTZPTWAJRC-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CCCCC[C@@H]1C	691104514	RWAIALJCQPPWFY-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1cccc(C)c1	691132365	CCNJXFLNENNAGL-GDBMZVCRSA-N	231.383	4.766	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCC[C@H](C)C1	691186625	NUKLWXYIRRNPGH-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)(C)C)c1)[C@@H](C)CC	691650166	FZTNUMTUVSCBLD-XJKSGUPXSA-N	247.426	4.681	0	10	BJAE	
CC(C)CC(=O)[C@@H]1CCC[C@@H](C(C)(C)C)CC1	695058806	BHQFBMOVPHFESX-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
C1CCCC(NC[C@H]2CCCC3(CC3)C2)CCC1	695689185	KOLRUHCTFHVYMN-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)CC)CC[C@H](C)C1	696804359	YGEKGEJXGSKUID-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@@H]1CCCC(C)(C)CC1	697578445	FDMXVBSMEMNVRD-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)[C@H]1CCCCC[C@H]1CNC(C)C	701150076	WUCKQHOGDQLHTM-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](C(C)(CC)CC)C1	701154020	VBLGJBHNCLTICY-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@]2(C)CC2(C)C)c1	702217869	FTTGHAORQZPYHC-KRWDZBQOSA-N	244.378	4.504	0	10	BJAE	
CC[C@](N)(C[C@@H](C)C1CCCCC1)C(C)(C)C	704852898	RYEJEDIQBHIXAG-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCC[C@@]1(O)CC[C@H](C)c2ccccc21	704898476	WZFRHCFQKLAARQ-WMLDXEAASA-N	244.378	4.518	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CC[C@@H]2CCC[C@@H]21	707854901	AUHAVXNYARMLJB-SGMGOOAPSA-N	249.785	4.639	0	10	BJAE	
CC1(CNc2cccc(C3CC3)c2)CCCC1	709648020	CSHJPTUQQMCMTD-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCC1CCC(NC[C@H]2CCCC3(CC3)C2)CC1	709977513	MMEBELQFXYAOSJ-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](CCC(C)C)C1CC1	710023777	IQHUMQVGBBALJN-UKRRQHHQSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](CC(=O)C12CCC(CC1)C2)C1CCCCC1	711120167	MJFNCRZJEUTYGW-CBCUQQMYSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CC(C)(C)CC[C@H]1C	713063364	FCZVNUKRTXQMIC-IAQYHMDHSA-N	249.373	4.761	0	10	BJAE	
CCCNC[C@](C)(CCC)CC(C)(C)CC	713242297	IHYCJEDCDJYHLH-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@H]2CCCC[C@H]21	714304523	PTAZUNMRBQCEQB-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
C/C=C/C[C@H](CC)c1ccc(OCC)cc1	714522283	ONNMHHIYLPICDR-LVDDQXARSA-N	218.340	4.545	0	10	BJAE	
CC1(C)CC(NC2CCC=CCC2)CC(C)(C)C1	718054720	ZMXUBWRFNKUNGN-UHFFFAOYSA-N	249.442	4.680	0	10	BJAE	
CCc1ccccc1C(=O)CCC(C)=C(C)C	718723949	TWPTZHCSZMHJSB-UHFFFAOYSA-N	230.351	4.568	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CCCCCC1(C)C	718969816	IEZHNUOQZICMQO-CQSZACIVSA-N	219.372	4.636	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CCCCCC1(C)C	719194753	SKSJPIWJUKWFOV-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C1CCCCCC1	719203048	PWQVCZCGGCZPPM-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)C1(C)CCC1	720663583	CHVWFLZTTNJUJJ-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCN[C@@H](C[C@H](C)C1CCC1)C(C)(CC)CC	721675478	PRDLBDWMQFYJRP-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Cc1sc(C)c(C(=O)[C@H](C)C(C)(C)C)c1C	722676479	HYLJQQSOUIIXDY-VIFPVBQESA-N	238.396	4.538	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1cccc(C(C)(C)C)c1	723119282	KYBQQFDIQWGOMJ-TZMCWYRMSA-N	244.378	4.603	0	10	BJAE	
Cc1ccc(-c2ccccn2)cc1-c1ccccc1	1250514533	CJHUPTMBOXQDSQ-UHFFFAOYSA-N	245.325	4.724	0	10	BJAE	
C=C/C=C\CCSCc1cc(C)cc(C)c1	1613604552	RNQGLCKEMIOSMZ-WAYWQWQTSA-N	232.392	4.669	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1C[C@@H]2CCC[C@@H]21	1659601774	GLWLYEUTLUGXEY-BHYGNILZSA-N	241.378	4.555	0	10	BJAE	
CCCC1CCC(NCC[C@H](C)CCC)CC1	1663165487	YUKFGZDCANFHFQ-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)C1(C)CCCC1	1900697398	PGTFLDRYSVGEJU-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(=CC[C@H](N)C(C)(C)C)CCCC(C)C	1900846355	YCDPMIAZOOKBOE-AWEZNQCLSA-N	225.420	4.523	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1CCC(C)(C)C1	1902270973	OBSVQIVATVJVJK-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1C[C@H]1c1csc(C2CCCCCC2)n1	1905261314	PPPDYAJNWVZVRA-CMPLNLGQSA-N	235.396	4.704	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccccc1Cl	1905435936	VXSNYLBRXNNOJX-FZMZJTMJSA-N	239.790	4.556	0	10	BJAE	
C=CC=CCCNC1CCC(C(C)(C)CC)CC1	1912096126	IJRFVKSZVIRNNU-UHFFFAOYSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)C1CC2(CCCCC2)C1	1912644926	IFKWHOPNJDWAJT-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@H]1C1CCCCC1	1913403454	JPIZBFKUVFIRPR-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H](C)C1CCCC1	1924128070	YHYUUNVTMWUICC-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C)c(CC[C@H]2C=CCCCC2)c1	1925832453	GRUKQVAEMHHYLN-INIZCTEOSA-N	228.379	4.982	0	10	BJAE	
CC1(C)CCC(CNC[C@@H]2C=CCCCC2)CC1	1925942230	GGMXFIKIQKHYOD-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@H]1C=CCCCC1	1925944629	FQWGRSFTJMHBAF-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CC(CC)CC	1926375862	IJCJTVRRDMOXBC-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
CCC(CC)C[C@@H](O)Cc1ccc(C(C)C)cc1	1926380272	SAKRBJGYSXSANQ-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
CC1(C)CCC(=CCC[C@H]2CC2(C)C)[C@@H](CN)C1	1927165740	NRTNGWFGTMKSQW-CABCVRRESA-N	249.442	4.524	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CCC1(C)CC1	1935876152	KZCSQNXMBWDTHD-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](C)(N)CCC(C)(C)C	1937166133	CKIMXUCWFWKARV-HIFRSBDPSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)c1cc(C)cs1	1939458591	NIDWQNBHUGFIKH-OCCSQVGLSA-N	240.412	4.552	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](C)N[C@H](C)CC(C)(C)C	1940252167	IBOAPGYOLSKBFB-ZIAGYGMSSA-N	241.463	4.717	0	10	BJAE	
C[C@H](CC(=O)C1(C)C(C)(C)C1(C)C)C(C)(C)C	1940283168	USKCTOVTWGWCQA-LLVKDONJSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)CC1(C)CCCCC1	1940406582	MRIMXFZIODGVHM-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CC2CC(C)C2)CC1	1940669424	ISAVUPCLHPCQLY-GYTBAZASSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)CC1CC(C)C1	1940678257	NDYBWWMSNJRRDA-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1(C)CC(C)C1	1941979253	BZENCYBEOBDNPB-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C1(C)CC(C)(C)C1	1941990274	XCFDSSXIJIUWEQ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1C[C@@H](C)C[C@H](C)C1	1943038676	CDDJXRHZIAZKHO-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CCC)CCC1C(C)(C)C1(C)C	1946168602	HKSVESFSHRNYPT-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@H]1C=CCCC1	1947587681	LUWGSBSLJVKPMI-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(C)CC1(N)C[C@H]2CCCCC[C@@H]2C1	1947843738	WIDKKOPAEPTWAZ-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
Clc1ccc2[nH]c3c(c2c1)CCCC31CCC1	1948469600	CSLSURJTGSZSOS-UHFFFAOYSA-N	245.753	4.579	0	10	BJAE	
NC1(C[C@H]2C=CCC2)CCCCCCCCC1	1949160322	OXNBTSCVZPVXPG-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC[C@H](CCN)C1	1950515364	LCEQLTRLRBKAHB-HZPDHXFCSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CC[C@H](C(C)C)C1	1963228997	OEFIEZWWTKUXQP-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(OCC2CC(C(C)(C)C)C2)cc1C	1968308720	YMXTZVVUNZFNBQ-UHFFFAOYSA-N	246.394	4.755	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCc2cc(C)ccc21	1968994008	HJIDGVSWMMBCMD-RDJZCZTQSA-N	245.410	4.541	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CN[C@H]1CCCC2(CCC2)C1	1969018780	QIRQYLCPJFGOMO-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(CN2CCCCCCCCC2)c1	1970125262	HWDGHVDMOAZFMC-UHFFFAOYSA-N	245.410	4.541	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)CC1(C)CCCC1	1980380767	QZJXLHJDFRGSOU-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCC(CCC)CNc1ccc(Cl)cc1	1981289868	NRYHKLNGOSICPC-UHFFFAOYSA-N	239.790	4.968	0	10	BJAE	
CC[C@@H](CNc1ccc(Cl)c(F)c1)C(C)C	1988764484	MBQLAVYWVVBRQM-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cccc(C)c1	1988795064	PJKIFCZIPKWYNS-AWEZNQCLSA-N	217.356	4.542	0	10	BJAE	
CCC[C@@H](N)CC[C@H]1CC[C@H](CCC)CC1	1989813755	GFEAUKWLAWJZCS-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1CCC[C@@H]1C	1990091697	QATMPJJVZYCCIW-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](C)CN(C)[C@@H](CC)CCC(C)C	1990818647	XBRVIPOIRYSCDS-CABCVRRESA-N	227.436	4.569	0	10	BJAE	
CC=C[C@H](CC[C@H](C)CCCC)NCCC	1995215614	XFHQECNWSZKDER-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CC1(C)CCC([C@](C)(O)CCCC2CC2)CC1	1996552176	KDYBVZBCMXTRQU-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](Nc1ccccc1C)C1CCCCC1	1996594760	PIWHIZRSMPLAHB-OAHLLOKOSA-N	231.383	4.766	0	10	BJAE	
CCC[C@@](C)(CCC1CCC1)CNC(C)(C)C	2000512393	XWKPMXNANVNAIT-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@H]1C[C@H]1CC	2000514835	OHJGETKJIRVPJC-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCN(c1cccc(C)c1)C1CCCCCC1	2000905889	FCLWTZJYEWIGHL-UHFFFAOYSA-N	231.383	4.544	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H](C)[C@H]1CCCC(C)(C)C1	2003003901	DXHIHSJCLXLARV-XQLPTFJDSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)CCCC2CC2)C1	2003016043	GLROSEDIWCSGPN-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CCC(C(=O)CCCF)CC1	2003067158	OBEIZIJQQVYPJV-UHFFFAOYSA-N	242.378	4.692	0	10	BJAE	
CCC(F)(F)CC[C@@H]1CCCCCCCC1=O	2003069624	AIJWRZPCJQPBKX-LBPRGKRZSA-N	246.341	4.742	0	10	BJAE	
CC1CCC(C[C@H]2CCCCCC[C@@H]2N)CC1	2003101379	WFEFFEPCVSNUDG-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1CCCCCCC[C@H]1N	2003119253	UPXZAYLZNLTQFZ-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)[C@@H](N)[C@H]1CCCCC12CCC2	2005601689	SYGUGPFYLZORDO-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccc(CF)cc2)CC1	2007023901	FPMOWXRRVWVIDE-GXTWGEPZSA-N	235.346	4.537	0	10	BJAE	
C[C@H](CCO)C[C@H]1CCC[C@@H](C(C)(C)C)CC1	2008714868	BCMWVGHFEXKMNM-QLFBSQMISA-N	240.431	4.638	0	10	BJAE	
CCc1cc(NC2CC(C)(CC)C2)ccc1C	2009297045	MFIPUGWZNDJCEK-UHFFFAOYSA-N	231.383	4.548	0	10	BJAE	
CC=CCCC[C@H](O)[C@]1(C)CC[C@H](C)C1(C)C	2009595327	WHPOEFKLUDWCSA-DZKIICNBSA-N	238.415	4.556	0	10	BJAE	
CC=CCCC[C@H](NCC)C(C(C)C)C(C)C	2009597557	FFJPZVBZMKWGPE-HNNXBMFYSA-N	239.447	4.639	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CC[C@H](CC)C2)C1	2009790984	FVUFDYPAWSNOPF-JWMHWRSXSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](NCCC)C1=CC[C@@H](CC)CC1	2010711619	BXSZXEWOAQXAHC-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC1=CCC(C)(C)CC1)NCC	2010747818	MIKAURIZYZNCQK-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CC=C([C@H](N)C(C)(C)C(C)(C)C)CC1	2010761968	HBBOKMSRPYYREC-ZDUSSCGKSA-N	237.431	4.523	0	10	BJAE	
CCC[C@](O)(CC[C@]12CCC[C@H]1C2)C(C)(C)C	2010968318	NJWJNFKDQIRAMQ-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2012008719	JRSQOXTXSCWDNV-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2012009651	RQLIDQIYFZKONH-QDMKHBRRSA-N	236.399	4.742	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1	2013534431	AZCNZTKFUVFZDN-FICVDOATSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)CC1(O)CCC2(CCCC2)CC1	2015285376	WAZFPKARDODBJS-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(CC[C@]1(O)CCCC[C@@H]1C)C(C)C	2015333220	BWFYAIQICYZNAO-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H](C)C(C)C)CC1	2015383938	PXJQCPMXYQMWOQ-WLYUNCDWSA-N	238.415	4.844	0	10	BJAE	
CCC1CCC([C@](C)(N)C[C@@H](C)C(C)C)CC1	2015409817	AYZGOUKDRQPCQO-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)C(C)(C)C1CCCCC1	2016445687	IMSMONDDELVPSM-MLGOLLRUSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CC1(C(C)C)CCC1	2017122066	WTIFTCHNRJANTI-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC1(C(C)C)CCC1)[C@H](C)CC	2017140993	LXMHBPPVTKIXML-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC(C)C)CC1(C(C)C)CCC1	2017146159	QBTNQZUNFJILFB-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(C[C@H]1CC[C@H](CC)CC1)C(C)(C)C	2017649642	YDKGQHIOWFABCQ-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@](C)(O)c1ccc2sccc2c1	2017709507	GXWBJECEHMNRCR-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC2(O)CC(C)C2)CC1	2017713791	ZBMHRFFKNWEIFU-DICYVTDZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC(=O)CC(C)C)CC1	2017768425	CSQFHJGNYOTVFH-SHTZXODSSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H]2CC2(C)C)CC1	2017776283	MVGGCZIDTHNXBN-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H]1CCCC(F)(F)C1	2018134962	UJTUATHTOUXPCG-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCCCC[C@H](CC)NCCC(C)(C)C1CC1	2018139209	PGCCZSURZGLFSU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@@H](C)CC1	2018139262	PRKVDCZDFNPKTE-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
CCCC1(C[C@]2(CN)CCCCC2(C)C)CC1	2018984379	GIVQBDITGFZDTM-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@@H](CC)N(C)C1CCC(CC)CC1	2019162447	CKIPYUOQWDQTTQ-HWOWSKLDSA-N	239.447	4.856	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@@H](CC(C)C)C(C)C	2020975033	WYAVAILROVNBCY-JKSUJKDBSA-N	239.447	4.639	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNCCCCCCC(C)C	2022491773	DTNPQTZEAKWJLM-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)C(=O)c1ccc(-c2ccccc2)s1	2025596330	JBYMVWQRSKAPBM-UHFFFAOYSA-N	244.359	4.644	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@@H]3CCC[C@H]32)cc1	2027319154	KBRSEHACAGGWLO-GUDXXQAFSA-N	243.394	4.801	0	10	BJAE	
CN[C@H](CCC1(C)CC1)c1ccccc1C(C)C	2027723568	LJRWJZYHMJPFCZ-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc([C@H](N)CCC[C@@H]2CC2(C)C)cc1C	2027830926	FGEGFKXDBWDSHE-HZPDHXFCSA-N	245.410	4.520	0	10	BJAE	
CCCc1ccccc1CN[C@@H](C)CC(C)(C)C	2027903365	LKBQLRKDNPSWIZ-AWEZNQCLSA-N	247.426	4.553	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H](CC(C)C)C(C)C	2028266223	USVDFXLUCSAGBB-DLBZAZTESA-N	247.426	4.656	0	10	BJAE	
N[C@]1(CCCCCC2CC2)CCCC[C@@H]1C1CC1	2028645563	RXUCSYSCUWLHKX-IAGOWNOFSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2CCC=CCC2)C1	2028874164	MFOINMIYJAFHEZ-GDBMZVCRSA-N	248.410	4.908	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1CC[C@H]2C[C@@H]2CC1	2028974676	FWGBTBLJSMVEAO-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)CCN[C@H](CCC)c1ccccc1	2029966788	MFZWBMPISZDSGC-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
C(CCN[C@@]12CCCC[C@H]1CCC2)CCC1CC1	2031809206	PXEDSNLTWLPMCU-DLBZAZTESA-N	249.442	4.659	0	10	BJAE	
CC(C)C1(CNc2cccc(C3(C)CC3)c2)CC1	2032243409	VADVFAFSNLNAFW-UHFFFAOYSA-N	243.394	4.586	0	10	BJAE	
O=C1[C@H]([C@@H]2C=CCCCCC2)C[C@@H]2CCCC[C@H]12	2034266220	XBMAKBULIUTJMK-UGUYLWEFSA-N	246.394	4.518	0	10	BJAE	
CC=C[C@@H](C)N[C@H](CC(C)(C)C)c1ccccc1	2034975833	AYKFMWKGCCYOJD-GDBMZVCRSA-N	245.410	4.718	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CCCCC12CCC2	2035888771	BNMOOKRRBDESEE-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CC23CCCC3)c1	2036096663	VFXGTRILRCGSOM-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@H]2CCCC[C@]2(C)C1)C1CC1	2036661394	PKULOZLVTJMJEM-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](N)(CC1CCC=CCC1)C1CCCC1	2037208428	XWNDJKHJZFLZBG-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H]1CCC[C@H]([C@H]2CCC3(CCCC3)C2)C1	2037697003	DFIMZDZODNWFSL-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1CCCC1)C[C@@H]1CCC2(CCCC2)C1	2038108006	OIKCGKAUNYDDLP-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
O=C(CC[C@@H]1CC[C@H]2C[C@@H]2C1)CC1CCCCC1	2038176669	WOYBXXPCNDXWDD-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC(=C2CCC(C(C)(C)C)CC2)CN1	2040673910	KENXEIZUKGMUBN-OEMAIJDKSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](CC2=CCCC2)NC)CC1	2041374961	FBTGNWFODHFEAT-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H](NC[C@@]2(C)CC=CCC2)CC(C)(C)C1	2042067400	KDYYBFBJNIOTLO-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(NC[C@@H]2C=CCCCC2)CC1(C)C	2042333779	YFDIVXMZEUPYOL-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C1CC(C)C1)c1ccccc1	2043543835	NGQBQEVNPDLFEM-UMAGBFNSSA-N	245.410	4.552	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H]2CCC3(CCC3)C2)CC1	2043605557	MGQUJSRWSOZENL-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
N[C@@]1(C[C@H]2CCC=CCCC2)CCCC2(CC2)C1	2045305451	PHFRIDUGHXGXCR-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CCCC1CCN(C[C@@H]2CCC=CCCC2)CC1	2045307022	GBEXMUVHKHYJQW-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C[C@@H]1C[C@H]2C[C@H]2C1	2045307027	GBWMXQNYTMENLC-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](C[C@H]1CC12CCCC2)C1(C)CCCC1	2047019634	KCZRBCMYGAOLRM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1O[C@@H]1CC[C@H]2C[C@H]2C1	2047346057	GZSGBFKNNYREGU-MELADBBJSA-N	244.378	4.552	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CCC23CCC3)CCCCC1	2047932609	NQHAAWXFZZZSNM-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C[C@H](Nc1cccc(F)c1)[C@@H]1CCCC(C)(C)C1	2049530552	XLDUFTCMWBOQSX-QWHCGFSZSA-N	249.373	4.843	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C2=CCCCCCC2)C1	2049530670	YAIGFVFSGCWMOC-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC2(CC2)C1)C1CCCC1	2049864940	KZIIFDKEYPGRFI-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(=O)[C@@]1(C)C=CCCC1)C1CCCCC1	2050009729	NYXZWRSQLFNVRC-YOEHRIQHSA-N	248.410	4.908	0	10	BJAE	
CCC1(CC)CCC(N)([C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2051597671	YMACKGXKJXUITM-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H]1CCCCC12CC2	2053419038	QYKBMEDZHJFGBV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@@H](CCC2=CCCCC2)C[C@H](NC)C1	2055038855	LAGVRZICXCFBAC-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1NC1CCCCCCCCC1	2055567958	SLAAHLBEJMNJFW-WBVHZDCISA-N	249.442	4.824	0	10	BJAE	
CC1=CCCC[C@H]1NCC1CCC(C(C)C)CC1	2055671382	HSNDBRRNGDBAOK-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(CC(=O)C2CC3(CCCCC3)C2)C1	2056667806	LBZIYOCHEDIFEZ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)CC1CC(CC)C1	2056729415	FPGHMFZRCAGLRK-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(C=C1CCCCC1)CC1CCCCC1	2056912495	FIWDVILDCARQFI-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H]1[C@H]2CCCCC[C@H]21	2059250086	NGAYHSQVLLMXPW-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](CC)CC1)[C@@H](C)C1CC1	2061084927	NKKURAJWOVCTQC-VBQJREDUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C1=CC[C@@H](CC)CC1	2061141205	UAEYWMVYWONILW-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCC[C@]12CCC[C@H]1C2	2061572934	URTVYGBKGYWUOD-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C(=O)CC1CC(=C2CCC2)C1)C(C)C	2061702747	VLOIJZPGYLKXKB-UHFFFAOYSA-N	248.410	4.764	0	10	BJAE	
CCCN[C@@H](CC1CC(=C2CC2)C1)C(C)(C)CC	2061725940	KHXUTQKHBVOUFY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)CC1CC(=C2CC2)C1	2061729812	ANMQANBBPCZJGA-IAGOWNOFSA-N	249.442	4.523	0	10	BJAE	
CCC[C@@H](N[C@H](C)C1CC2(CC2)C1)C1CCCC1	2064597859	XHVZXHVLPZHCHB-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CC1CCC([C@](C)(N)CC23CCC(CC2)C3)CC1	2065274121	DWFZQXLHNUGKDV-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(CC23CCC(CC2)C3)CC1	2065336111	XKOPIRHQTLFXII-BDVYOWHSSA-N	249.442	4.645	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@H]1C[C@@H]2CC[C@@H]2C1	2068710739	MUZZPLBDQREKAN-JONQDZQNSA-N	248.410	4.742	0	10	BJAE	
CC(C)C(C[C@@H]1CCc2ccccc2N1)C(C)C	2069012521	ZJBZRRDGJOUMPV-HNNXBMFYSA-N	245.410	4.732	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC3(CCCC3)C2)CCC1	2069341171	CHBGFEFZLYPCGP-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1(C2CCCC2)CC1	2070400790	YIHXZZATAONTBR-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](Nc1ccc(C2CCC2)cc1)C1CC=CC1	2070806682	DFTZFLWNTYESDX-CYBMUJFWSA-N	241.378	4.721	0	10	BJAE	
CN[C@H](C[C@]1(C)C[C@H]1C)c1ccc(C(C)C)cc1	2070965658	CGYNVGLQUIGMRE-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CCCNC[C@]1(CC(C)=C(C)C)CCC12CCC2	2072411980	WSZVEFNOQZQTQB-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC[C@](C)(NC[C@H]2CC23CCCCC3)C1	2073068106	OBLVEATVSWGFEI-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCN(C[C@H]1CCC[C@@H](C)C1)c1cccc(C)c1	2074857162	PJUHCGSQDQTYDL-ZBFHGGJFSA-N	245.410	4.648	0	10	BJAE	
CC(C)CC[C@H](C)N1CCC[C@H]1c1ccccc1	2075246300	ZSWIXXOWWPPUIX-RDJZCZTQSA-N	245.410	4.648	0	10	BJAE	
CC1(C)C[C@@H](NC2CC3(CCCCC3)C2)C1(C)C	2084369075	USXOBMPFSPSDSA-CQSZACIVSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)C(=O)CC1(C)CC(C)(C)C1	2211648053	MSECUTDEDMVTCW-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@](C)(CN[C@H](C)CC)C(C)C	2212584517	AIXBRIZEOVFARR-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CC[C@@H](NCCCCCCC2CC2)C1	2213580003	IXJAUBXVMROVSJ-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(Cl)cc1CC=Cc1ccccc1	2213821919	GQEIEEIDHRGVIG-UHFFFAOYSA-N	242.749	4.904	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)CCCCC1CC1	2214570660	UEWDUEGWBYVTFP-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCSc1ccccc1NCC[C@@H]1C[C@H]1C	2215314050	RLSGZKUDISITQS-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H]1CCC(C)(C)CCC1=O	2215323467	DXVXCFKTXVCZLT-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C[C@H](C)CC(C)(C)C	2215335689	AGAZKIUCWWTXGD-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC(C)C)CC1(C)CC(C)(C)C1	2215399011	RHWXFTMXYZOQMS-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1CC=C(C)CC1	2215834410	ONRZQYJQYZTTAE-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCC(C)(C)C(=O)c1c(C)cc(C)cc1C	2216007075	BNSWDKIUXYMHSF-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
O[C@@H](CCCCCCCC1CC1)CCC(F)F	2216862264	JXGCZCWZINSVDQ-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C)NC[C@H](CCC(C)C)C1CCCC1	2217156271	JTYFYZMXYOAMIW-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218332598	MZBDQQHIMQCOBT-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218357259	QDVMTHBQTUEONN-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(CCCCC2CC2)C[C@@H]2CCCCC[C@@H]2C1	2220040111	LHXDWGDOMZKSSQ-BJWYYQGGSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@@H]1CC(C)=C[C@@H](C)C1	2220044463	FRXHHIMPFJFEDG-XOKHGSTOSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2CCC3(CC3)C2)CC1	2221640100	IWUGUYGHFHSUNZ-GOEBONIOSA-N	246.394	4.662	0	10	BJAE	
CC1=CC[C@@](CN)(C[C@H](C)C2CCCCC2)CC1	2221652554	DDTLHSFOTDPHBE-RDJZCZTQSA-N	249.442	4.668	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C1(C)CCCCCC1	2222011130	IXINNMIXDAXHEM-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CC[C@H](C)NC[C@@]1([C@@H]2CC2(C)C)CC=C(C)CC1	2223588792	JIFPMDDRCUFMRT-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@@H](O)c1cccc2ccoc12)C(C)(C)C	2224195399	CQCHKULKOWESRD-BXUZGUMPSA-N	246.350	4.539	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@H](C)CC(C)(C)C	2244783325	PDZYBGGEUOYKFL-MELADBBJSA-N	227.436	4.602	0	10	BJAE	
CC(C)(C)[C@](C)(N)CC[C@H]1CCCCC12CC2	2246619714	GLQFHOLFJYMDIG-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H]2CCCCC[C@@H]2O)C1	2246733990	SJXNFFKIZRMCEG-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C1(C)CC(C)(C)C1	2247162052	FUCHXEWBXNSNFI-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(CCCC[C@@H]1C[C@H]1C)CNC	2247166092	SSKMVEJEAOEFDG-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC1(CC)CC(N)(CCCC[C@@H]2C[C@H]2C)C1	2247173619	SZSPDEYYRSBLEC-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
O=C(CCC[C@H]1CCCC12CC2)c1cccs1	2247583608	LGSVSCRZGAQZSK-LBPRGKRZSA-N	248.391	4.681	0	10	BJAE	
CC(C)C(C)(C)CNCC(C)(C(C)C)C(C)C	2248349546	BKDMLBYJUXWGFH-UHFFFAOYSA-N	241.463	4.577	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccccc1C(C)C	2250362440	UVILZMXHNWPWJH-CJNGLKHVSA-N	233.399	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CCNCCCCCF	2250494871	XYHSFZYBXHZWTB-HNNXBMFYSA-N	245.426	4.568	0	10	BJAE	
Cc1ccc(CC[C@@H]2C=CCCC2)c(F)c1F	2251388737	ZCZNIOYUSQXUNZ-GFCCVEGCSA-N	236.305	4.562	0	10	BJAE	
CC(C)(C)CC1CC(CCC2(O)CCCC2)C1	2251531000	GLIHMFOJZXSDIC-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C1CC(CC(C)(C)C)C1	2251540927	CQVPFGVXSKCYAP-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC2(C)CC3(CCC3)C2)C1	2253952059	QCWMGMPYCVBOCS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1(N)CC2(CCCCC2)C1	2254604674	JXGNYSQOTPPQBV-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
OC1(CC2=CCCCC2)CCC(C2CCC2)CC1	2255051946	NVQWNWGKFXWWQN-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)C[C@H]1CCCC12CC2	2255324936	BWFYXZOZRFFTLH-GZBFAFLISA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@]1(CN)CCC[C@H](C)CC1	2300696661	GLXVICJDNLRTBE-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
CC(=CC[C@]1(N)C=C(C)CC1)CCCC(C)C	2300875096	RFCLPBKTYPIMNI-MRXNPFEDSA-N	235.415	4.587	0	10	BJAE	
CC1CC(CCC(=O)CC2CCCCCC2)C1	2301236771	PKHYVEWOOBQMFM-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(CC)CNCCCC1=CCCCC1	2302328309	IHFAXFCQUUMQQY-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
C[C@@]1(O)CCCC[C@@H]1CCCC1=CCCCC1	2302362529	ZVLRGOOJHFVDEE-HZPDHXFCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CCC(C)=C(C)C1	2303584810	SHJKRPVYCHXJSV-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CNc2ccc(Cl)cc2)CC1	2303598138	YMSNBZDEIJJXCX-CYBMUJFWSA-N	249.785	4.888	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CC[C@@H]1CCC(C)(C)C1	2304431828	OROSZCUMMAECLT-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
Cc1sccc1OCCC=Cc1ccccc1	2307207653	XABLHCOKFAHKGT-UHFFFAOYSA-N	244.359	4.539	0	10	BJAE	
CCC[C@H](CC)CN1CCCCC12CCCC2	2307760351	HCPGZMSDYIFBTC-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1C(C)=CCC[C@H]1C	2307845686	RSCUDOBNEADCHD-IJEWVQPXSA-N	236.399	4.764	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H]1CC[C@@H]2C[C@@H]2C1	2310191620	HXJPBWJOSZFTEW-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@H](NC)c1ccc(C)c(C)c1	2316237832	JJDSAYKNYQYYSV-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCc1ccccc1[C@@](C)(N)CCC(CC)CC	2316271491	QTOKIJWETGSOLP-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]2CCC[C@H]1CC2)C1(C)CCCC1	2316947652	UBBQAHOGCBVFLT-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC)CCC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317148812	PQAXTMFFZCRDBV-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1[C@@H](Nc2cccc(C3(C)CC3)c2)CC1(C)C	2318242632	TYFBISRWIYCSNL-WFASDCNBSA-N	243.394	4.585	0	10	BJAE	
Cc1cc(F)ccc1NCCCC1=CCCCC1	2318568897	NDGVPRPCEFLTPL-UHFFFAOYSA-N	247.357	4.827	0	10	BJAE	
CN(CCCC1=CCCCC1)CC1(C)CCCC1	2318570031	UEIIZMORVSQLSW-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CCCN[C@H]1CC[C@@H](CCCC2=CCCCC2)C1	2318584043	WEHLGWABBGISEF-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1CC[C@H]1C[C@H]2CCC[C@H]1CC2	2318799987	HRHWOGCYHXZUFN-ZOFXXKQRSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H]2CCCC(C)(C)C2=O)CC1	2320389397	ZVFYQPZFSUKFRM-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](C23CC(CC(C)C)(C2)C3)C1	2321641015	AFTIQMNTDZIJSI-QBBMROGASA-N	248.410	4.598	0	10	BJAE	
CC(C)CC12CC(C(=O)C3(C)CC(C)(C)C3)(C1)C2	2321642398	OEOMEQUPQUKQEX-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)CN1CC=CCC12CCCCC2	2328101616	JZMLIERXUXGVQW-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCCCCCNc1cccc(Cl)c1C	20359114	DRGSBYUXTIPLPA-UHFFFAOYSA-N	225.763	4.641	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C)C2)c(Cl)c1	20471323	YLIODZVUFAXYBL-ZYHUDNBSSA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(C)cc1	20520124	DROXXFQGAPABFI-AWEZNQCLSA-N	219.372	4.766	0	10	BJAE	
Cc1cc(C)c([C@@H](C)NC2CCCCC2)c(C)c1	21801853	BHBGKLVDJIQUBX-OAHLLOKOSA-N	245.410	4.595	0	10	BJAE	
CC1CCC(N[C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	34995806	KCJFEERYDPAGFZ-FXUHHZDVSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](NCC)c1csc2ccccc12	35554956	UXQCZLDRCTZUSM-CQSZACIVSA-N	247.407	4.742	0	10	BJAE	
CCCN[C@H](CCC)c1ccc(CC(C)C)cc1	35573326	BYEUOAXQAJMXNG-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C2CCCC2)cc1	36162317	JNMDDYYXXNWVRZ-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)C1CCCCC1	37376987	RDJOUYWLCDBICO-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccc(Cl)c(Cl)c2)C1	70748104	FYBSCMZCRZSUDL-BDAKNGLRSA-N	244.165	4.594	0	10	BJAE	
CCCSc1ccc(-c2ccccc2)cc1	79474731	FCZXRDFVTULADN-UHFFFAOYSA-N	228.360	4.856	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)C(CC)CC	82631019	UXBKQLLEEWMFJO-UONOGXRCSA-N	227.436	4.760	0	10	BJAE	
Cc1cccc(NC2C[C@@H](C)C[C@H](C)C2)c1C	84462651	AITIFIGRCIAVLD-RYUDHWBXSA-N	231.383	4.540	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCCC[C@@H]1CC	84739441	RFWSBFCIUAPRSB-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](C)COc1ccc(C(C)(C)C)cc1	85151275	ITWKWRLDXQTHPL-CYBMUJFWSA-N	234.383	4.799	0	10	BJAE	
CCCCCC[C@]1(CCC)CCCCCN1	85875931	GVAZMULGOBFEBQ-OAHLLOKOSA-N	225.420	4.659	0	10	BJAE	
CCCC[C@@H](C)n1c(C(C)(C)C)c[nH]c1=S	88146592	XEPROBPYBHAPQL-SNVBAGLBSA-N	240.416	4.594	0	10	BJAE	
C[C@H](Nc1ccc2sccc2c1)c1ccoc1	94868102	BAYIXRCURXSIDX-JTQLQIEISA-N	243.331	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](CC2CCCC2)C1	110517807	AFURCWAOJIGXEJ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC1CCCC1)NCCC	125396957	BIMZRJZFHIAFDO-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](NCC)c1cc2cc(C)ccc2o1	127311335	QGNYKUMADKHXJB-CQSZACIVSA-N	245.366	4.582	0	10	BJAE	
CN[C@@H](c1ccccc1)[C@H](C)CC1CCCCC1	128427327	FZVPEKQIYOHYFS-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
CC1([C@@H](N)c2ccc(C3CCC3)cc2)CCCC1	128704476	SVMSKKJUBKTOFJ-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@H]2CCCC2(C)C)c1	132657395	ZFGYIEAZNCSVSG-ZBFHGGJFSA-N	245.410	4.533	0	10	BJAE	
CCCN[C@@H](CCC1CCCCCC1)C(C)C	149444173	QSLGSPKFEHJEFQ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](CCC(C)(C)C)NC	163375180	ZJAYMVYERSDHKX-JKSUJKDBSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CNCC(C)C)C(C)C	164432389	YEYQPJMQHSOPFA-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H](C)C[C@H](N)c1ccc(C)c2ccccc12	167341986	DXRCZOYTSCBVHC-PXAZEXFGSA-N	241.378	4.584	0	10	BJAE	
CC1CCC(c2nc3c(Cl)cccc3[nH]2)CC1	168014480	PQEBTECHJLYDBF-UHFFFAOYSA-N	248.757	4.510	0	10	BJAE	
C1CCCC(C2(CNC3CC3)CCCCC2)CC1	168015347	WOHSBQJVXRBKET-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)[C@H]2CCCCC2(C)C)c1	226654486	NFBROEHPCRDGEH-HZPDHXFCSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C(C)C)C2)cc1	230986395	AZOJHPVRRSQZBE-GOEBONIOSA-N	231.383	4.622	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@H]3CCC[C@H]3C)c2c1	235257745	XWAMBQSXTFVWPW-YPMHNXCESA-N	227.351	4.688	0	10	BJAE	
C[C@@H]1CCC[C@@H]1c1c[nH]c2ccc(Cl)cc12	235258331	GBJFMJJBTZUNMQ-KOLCDFICSA-N	233.742	4.725	0	10	BJAE	
CCCN[C@H](c1ccc(C(C)C)cc1)[C@@H]1C[C@H]1C	252371556	BIZRLGRHKWNEJK-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(CC)c(C)c1	300867063	JZYNFPIVJGOWTI-CYBMUJFWSA-N	219.372	4.548	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@@H](C)CC	300892287	PXEDXRGJENOKQX-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCNC[C@@H](CCCC(C)(C)C)C1CCCC1	302344331	VLVOPJINYGWZND-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CNC[C@H](CCCC(C)(C)C)c1ccc(C)cc1	302352616	WPTOSLRVCAYGOL-INIZCTEOSA-N	247.426	4.514	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1CCCCCCC1	304176787	NWYIUFLQPQRHLZ-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCc1cc(N[C@H]2CCC[C@@H](CC)C2)ccc1C	306043260	SJUXRUQNRRCPFC-ZBFHGGJFSA-N	245.410	4.938	0	10	BJAE	
CCC[C@H](CC(C)C)c1nc2c([nH]1)CCC[C@@H]2C	308060010	XDORSEWSANVWEZ-QWHCGFSZSA-N	248.414	4.779	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H](CC)CC(C)C	308092209	IOTQMGBCDIXVEK-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)CCC2CCCC2)C1	310271584	SYCFUXRFINHAOB-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C2(CC)CC2)cc1	310341003	CTHKKBRVWHMATO-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C[C@@H]1CCC[C@H](C)C1	310549416	VXLBSOMBPPFACT-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCC1(CN[C@@H]2CCCCC23CCCC3)CCC1	310825576	CGDJNLZWKILVKP-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc2[nH]c(C(C)(C)C(C)(C)C)nc2c1C	310887557	SVPCSMOADQZFSQ-UHFFFAOYSA-N	244.382	4.503	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC12CCCCC2)C(C)(C)C	313030433	ITCSUAPUQKRWHF-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H]1CN[C@@H]1CCCC12CCCCC2	313098795	FYEOKKMCXRYSHD-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NCCCC1CCCC1)C1CCC1	322720157	STLZUKKPBLYQSH-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)C1(CCCC1)CC3	328119532	QMCRCUYXUVTABE-UHFFFAOYSA-N	239.362	4.543	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CCC[C@@H](C)C1)NCC	380094928	VVKRDWWBOJYVPL-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](O)C[C@H](C)C1CCCCC1	380169483	WORQELPXLHYZIK-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CC)CCCC1(C)CCCC1	380736305	RCDVXXUZFVUKEX-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
Cc1cc(C(=O)C[C@@H](C)C2CCCCC2)c(C)o1	381012081	MDPIJACBLOYSFC-LLVKDONJSA-N	248.366	4.686	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)c1ccc2ccccc2c1	381074558	FCVYMACPBWSINM-SUMWQHHRSA-N	241.378	4.522	0	10	BJAE	
CC[C@@H](Nc1cc(C)cc(C)c1)c1ccsc1	382071671	CIINMCGXHZUBLD-OAHLLOKOSA-N	245.391	4.928	0	10	BJAE	
CC[C@H](NC[C@@H]1CC(C)=C[C@@H](C)C1)C1CCCC1	382822518	PWSPYFKYQWSQEM-KMFMINBZSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCCNc1ccccc1Cl	383103722	GDFBPFZTAZOWEN-UHFFFAOYSA-N	239.790	4.968	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)CCCCCC(C)C	383511793	JGTSFIIQRXRLSE-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC/C=C/c1ccccc1	386107475	JPUZPYKDEVRVRB-KUCQQTCKSA-N	245.410	4.504	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc2ccsc12	386218819	JGKVHIWBYNAYAF-GFCCVEGCSA-N	233.380	4.892	0	10	BJAE	
CCC(CC)(CC)[C@H](O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	395121919	LGZCMCLDHWOSEW-LXTVHRRPSA-N	240.431	4.636	0	10	BJAE	
CC1(NCCCC2CCCCC2)CCCCC1	395274124	VWHRWQKBXQBLPH-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCC[C@@](O)(C1CCCCCC1)C(C)(C)C	395510973	WLTKXQNRXFJPNB-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCc1ccc2sc(CC)c(C(F)F)c2c1	396170047	SSNWDVOJZJIKMA-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
Cc1c(C(F)(F)F)ccc2cc(S)sc12	396301851	LCKVPLVRWXYWNK-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)[C@H]1CC1(C)C	397868706	WYXKRLQWVIVGIB-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)ccc1OCC1CCCCC1	400860318	MWTDBQICRQSLMF-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1	403335750	FBPFMEVNVHUKSS-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)C1(CN)CC(C)(C)CC(C)(C)C1	688346042	GJDKDGCYJIWRTA-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CC[C@H](CC(=O)CCC1CCCC1)CC(F)F	688822621	CICUIVVOVAXFGU-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CCCC[C@H]2C)c1	688971077	KCYJCHWNRJKYTQ-CZUORRHYSA-N	244.378	4.819	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NC(C)(C)CC(C)(C)C	691096456	AJFKXZKOCSHSQQ-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@](C)(O)c1ccc2sccc2c1	691825178	UROGRAMROZTHTL-HNNXBMFYSA-N	248.391	4.689	0	10	BJAE	
CCc1cc(N[C@@H]2CCC23CCCC3)ccc1C	694406632	ZBQLBWIODFQWLJ-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)c1ccc(C)s1	696164154	ORDDUPXPBXOPQX-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1c(C)c(C)cc(C)c1C	696560709	JHXJXCOOOORZLE-HNNXBMFYSA-N	247.426	4.746	0	10	BJAE	
CCC(C)(C)CCC(=O)c1sccc1Cl	696653012	ALGVYTMNGJGOQQ-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
CC(C)=CCC[C@@]1(O)CCC[C@@H](C(C)C)CC1	697599301	RILNRXBVUDQFDC-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC(C)=CCCC(=O)[C@]1(C)CC[C@H](C)C1(C)C	697850068	KDNROSHXAVLGSX-BBRMVZONSA-N	236.399	4.764	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@@]2(C)CC2(C)C)cc1	702140567	GAPYADHZJMBILI-QGZVFWFLSA-N	244.378	4.504	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@@]2(C)C[C@H]2C)cc1	704338292	VMDJVSGABZNOIS-RMHZUWNSSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1CCCC[C@@H]1c1ccc2c(c1)CC[C@@H](C)N2	704878403	DXEVFGDQWJMDBL-ZENOOKHLSA-N	243.394	4.727	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H]1CCCC12CC2	706256111	CTUOUUZCNJOCAP-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CCC(N[C@@H]2CCCC23CC3)CC1	706955954	KOPFRULBJXODFH-YMAMQOFZSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC(=O)[C@@H](C)C(C)(C)C)CC(C)(C)C	709132755	RDQPFQXYYDOKCS-VXGBXAGGSA-N	226.404	4.700	0	10	BJAE	
CCCc1ccccc1-c1cccc(N)c1Cl	709146746	RZQPAECSHNOUCB-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
CC[C@@H](CC(=O)[C@H](C)CC(C)(C)C)CC(F)F	709153775	TVTAYVOLVXISJW-MNOVXSKESA-N	248.357	4.699	0	10	BJAE	
C[C@H](NCCC1(C)CCCC1)[C@]12CCCC[C@H]1C2	709158433	RMIHIXJRJPDGQF-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
Cc1cscc1[C@H](N)C[C@H](C)CC(C)(C)C	709162908	ISVKKRZQHQJXHK-GXFFZTMASA-N	239.428	4.519	0	10	BJAE	
C[C@@H](C[C@@H](O)CC1CCCCCC1)C(C)(C)C	710703145	NWMNEZFDSGDQIF-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H]1CCCCC1(C)C)C(C)(C)C	711155059	ZLVPLFUDYOLWHL-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](C[C@H](CC)C(C)(C)C)C(C)(C)CC	711185634	SZACUGLIDNGPAP-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CCC[C@@H](C)C(C)(C)C)NCC	711220213	VTLMKHOYUUMIRN-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H]3CCCC[C@@H]32)cc1Cl	712505277	WHTRYAGEDQZCHH-WHOFXGATSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)C[C@]1(N)C[C@H](C)CC[C@H]1C(C)C	713241754	GQAMXYWJKKBEIW-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)COc1cc(F)ccc1Cl	713242422	YRUXOLVGMSKIBS-UHFFFAOYSA-N	244.737	4.540	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(CO)CCC=CCCC1	719062365	CHJMSQQKJRAHMN-HZPDHXFCSA-N	238.415	4.558	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)C1(CC(C)C)CCCC1	723129875	ZLDMGRJAJXCELI-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H](C2CCCC2)C2CC2)C1	723958742	CEZORUQJCOVKNZ-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
Cc1csc(C)c1C(=O)C1CCC2(CC1)CC2	724988805	LETCKPKLQLCQGQ-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
Cc1ccc(CSc2ccccc2C)cc1F	1656234071	DRMKPCDRMQOISB-UHFFFAOYSA-N	246.350	4.735	0	10	BJAE	
CCc1ccc([C@@H](N)CCC(CC)CC)s1	1900695376	GCIRCYNLVIKGMI-ZDUSSCGKSA-N	239.428	4.527	0	10	BJAE	
CCC(C)=CCC(N)(CC(C)C)CC(C)C	1900889792	MKEKNTJUOJDSLE-UHFFFAOYSA-N	225.420	4.523	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H](C)[C@@H](C)C(C)C	1901624913	KLYCKLWEUKXZQR-STQMWFEESA-N	226.404	4.700	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1C[C@H]1C1CCCCC1	1910675444	XMZVAHYKYOIZLE-HRCADAONSA-N	237.431	4.514	0	10	BJAE	
CC=CCNC1CCCCCCCCCCC1	1911844319	FVLMGEUTNOSKAL-UHFFFAOYSA-N	237.431	4.825	0	10	BJAE	
CCCC[C@H]1CCCCCCCC[C@@H]1NC	1913391726	KKTNZNAQLVPOHC-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CC[C@@H]2C[C@@H]2C1	1917330678	VTPPIMXEIWIYGJ-MGPQQGTHSA-N	243.394	4.585	0	10	BJAE	
c1cc2cc(N[C@@H]3CC[C@H]4C[C@H]4C3)ccc2s1	1917349831	QIIKUBGDHUIPRV-WCFLWFBJSA-N	243.375	4.502	0	10	BJAE	
CCCC1CC(CCC(C)(C)CC)(CNC)C1	1921204049	QYMANKDFYPZVIB-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CCCC12CCC2	1921605345	NSXHDMZIMVYHRO-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H]1CCCC12CCC2	1921630597	RVSCOPDEIPEYGZ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
c1cn(CCC2CCCCC2)c(C2CCCC2)n1	1923589324	PCJHMFPJEKMPFH-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
CCN[C@@H](CC1CC(C)C1)C[C@@H]1C=CCCCC1	1925793401	VIOXKGGOUSGJPK-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
Cc1cc([C@H](N)C[C@@H]2C=CCCCC2)sc1C	1925903373	UEQQYADOIQUJHR-ZIAGYGMSSA-N	249.423	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2C=CCCCC2)C1	1925946708	VSKAALZTQRMCEF-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CCC(CC)CCN[C@H]1C[C@@H](C)CC(C)(C)C1	1926159391	KIGGMNWMDNGYFI-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)C[C@H](C)C(C)(C)C)C(C)C	1936209042	NKKPXIASRCRODV-STQMWFEESA-N	226.404	4.700	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@@H](C)CC(C)C	1940879304	WRKZZSMFMDOYJA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)CNc1nccc2sccc12	1941357459	KUTAVUPMWFBCEP-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCC[C@](O)(CCCCCC1CC1)C1CCC1	1941582362	VQFOEJXYQHEMSP-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)CCCC1(N)CCC2(CCC2)CC1	1944599434	CUHXZJZZMCVRAE-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H]([C@H](C)CCC(C)C)C(C)(C)C(C)C	1944668310	MCCGENYUTWOKAT-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C[C@@H]1CC1(C)C	1944740558	DHJZGKWIPZRZPE-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1946260204	RLWBTVUKUFTZOE-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)CCCCCC1CC1	1947459943	DEHMHQOZZMQKBS-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc(C)c(F)c1	1947465493	RXJVTCARBGIZPY-DOMZBBRYSA-N	235.346	4.515	0	10	BJAE	
CC(C)(C)CCC[C@@]1(N)CCCCC12CCC2	1947898856	FFRMGPFLNVYFFQ-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc([C@](C)(N)CCC2=CCCCC2)s1	1949048236	JIQGFTLYIXFIIH-OAHLLOKOSA-N	249.423	4.511	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C(C)(CC)CC)CC1	1949087681	FGHJZMWVVDASQT-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCCCC[C@H](C)NCCC1CC(C)(C)C1	1949858697	AOAHDISUPYYNCW-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccc(C2CC2)cc1	1950110098	HIXQXQFABZZWEP-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
CC(C)=C(C)CCC1(CO)CCC(C)(C)CC1	1950908621	OTEBHVVMOGHGAT-UHFFFAOYSA-N	238.415	4.702	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)[C@H]1CCC[C@@H](C)CC1	1950916639	JMTNKVPKRNXBMJ-UGUYLWEFSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)C1(CC)CCC1	1951237768	CUDDCMMSSCZZKP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CC(CC)(CC)C2)C1	1963220409	NEPPXTPCCKAITP-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(OC[C@H]2CCC(C)(C)C2)cc1C	1968307120	DRFHCNILUUMPJQ-AWEZNQCLSA-N	232.367	4.509	0	10	BJAE	
Cc1cc(F)cc(NCC[C@H]2CCC[C@@H](C)C2)c1	1968594929	IPWSBLKUVXEAQD-TZMCWYRMSA-N	249.373	4.762	0	10	BJAE	
CC1CCC(CN2CCCCC23CCCC3)CC1	1969768312	QWJKWFFHUCZEGB-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NC[C@@H]1CCCCC12CCC2	1971304577	IKRVUFXWGIROIJ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1csc(C(F)F)c1	1978582155	IBLCHKWVLREBQR-KWQFWETISA-N	248.338	4.545	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C(C)(CC)CC	1984634565	HRPVBDAVFIVYPS-OAUONFCTSA-N	225.420	4.537	0	10	BJAE	
CCCC1(CCC(=O)c2cccs2)CCC1	1988433618	UWJBQYWYFXOETG-UHFFFAOYSA-N	236.380	4.681	0	10	BJAE	
CCCC[C@](C)(CNCC)CC(C)=C(C)C	1989651054	AYQUNPGYNLSMCN-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CCC(CC)CCN(C)C1C[C@H](C)C[C@@H](C)C1	1995888550	OBANRRCIZZTTSY-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NCCCCCC1CC1	1997358336	RTMFEAAQORLFLB-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C1CCCCCC1	2000294174	ZWTWRFIDKBYWLT-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@](C)(CC[C@@H]1CC1(C)C)CNCC	2000512474	RVEQQIKKOMBWNP-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC[C@H]1CCCCCCCC1=O)C(F)F	2003071556	ZXKGMGKIFMIPSQ-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H]2CCCCCCC[C@H]2O)C1	2003116847	LNOHTTCNXIGFKE-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CN)CCCCC1(C)C	2005590747	YBLFOKRCNZEMCG-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
CC1=C(C)[C@](O)(C2=CCCCCCC2)CCC1	2006954218	RJJRAKFUQDPBCU-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](CC)NCC1(C)CCC(C)(C)CC1	2007681428	KWUDSSOOUZRXIX-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)C1(C)CCC(C)(C)CC1	2007693511	GCCLNAUONYMPPT-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@H]1CCCC(C)(C)C1	2007857761	VTLHJGWSGIYIPI-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](C=C1CCCC1)NC	2007941836	FHZPZJCQLYVOAQ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@@H]1CCC(C)(C)CC[C@H]1NC	2009405619	ALEVSFCOAYJTNW-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C1=CC[C@@H](C(C)C)CC1	2010720282	WTLJLGGBQQLIGG-LZWOXQAQSA-N	238.415	4.556	0	10	BJAE	
C[C@H](C[C@@H](O)C1=CCC(C)(C)CC1)C(C)(C)C	2010726159	NXANWADMRZCDBS-TZMCWYRMSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011972330	XMBKKLGTOLNLKP-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC12CCC(CC1)CC2)NC	2012814788	YQJOEGQFQLUFTQ-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CC12CCC(CC1)CC2	2012831727	JFALWGJTQFLERB-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cc(C)ccc1F	2013265559	XLVZXHSEHLDZLJ-CYBMUJFWSA-N	237.362	4.761	0	10	BJAE	
CCCCC(C)(C)NC[C@@H](C)C1CCCCC1	2013527937	GFRSFTNGZZTJCV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC1(C(=O)c2sc3ccccc3c2C)CC1	2014303196	BAJDDQDPRDCODK-UHFFFAOYSA-N	244.359	4.583	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H](C)CC1)C1(C)CCCC1	2014340097	PBJOMVVVHQXDNK-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CCCC1(CC2(CNC(C)(C)C)CC2)CCC1	2015642666	SSMHPIRTWUFAPR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC1([C@H](O)CC2(C(C)(C)C)CCC2)CCC1	2017116922	OVTOKIQUSGRZRJ-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](CC[C@H]1C[C@@H]1C)NCCC	2017238756	QOSIVOJYNKHPML-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(O)CCCCC2)CC1	2017650710	KJTQGQOIWVUZKS-SHTZXODSSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NC[C@H]1CC[C@H](CC)CC1	2017723519	UIWMBPVRXBSCIR-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CC(=O)C(C)(C)CC)CC1	2017774420	OKVJPANSCNCFMA-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CC[C@H](CC)CC2)CC1	2019006867	VAQBPNVVJRVJCN-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCN(C1CCCC1)[C@H]1CCCC[C@H]1CC	2019199801	MJCVQGUKIBIVNO-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H](C)N(C)[C@@H]1CCC2(CCCCC2)C1	2019305919	PKBXREYJTKTKIV-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
CN(CCCC(C)(C)C)[C@H]1CCCC(C)(C)C1	2019325351	KDPZQIXYLAZDMH-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2022994430	QNPUZLVZBIXNKZ-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCCCC(C)(F)F)CC1	2023312050	QYBDLKSJQUXDIZ-TZMCWYRMSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@@H](C)CCC[C@@H]1CCCC(C)(C)C1	2024091061	FCHXDEBVADTYFS-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@](O)(C[C@@H]2CCCC(C)(C)C2)C1	2024128072	JTJMEARBDHLMER-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
Cc1cccc2cc(C3CC4(CCC4)C3)[nH]c12	2024288060	XWDOPGMACIVODI-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
FC1(CCNc2ccc3sccc3c2)CCC1	2025276567	DFWWTZCZFVSSLD-UHFFFAOYSA-N	249.354	4.596	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@@H]1CC[C@H](C)C1	2026169482	IQWZVHBSWKPYPE-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)Cc1coc2cc3c(cc12)CCC3	2026534063	SZRDTYPUXLUOEF-NSHDSACASA-N	228.335	4.510	0	10	BJAE	
c1sc([C@@H]2CCC[C@@H]3C[C@@H]32)nc1C1CCCC1	2026607842	WCKWAHLKWOFWQY-UPJWGTAASA-N	247.407	4.704	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)[C@H]1CC12CCC2	2032131941	MUEBOPBHJWKXFZ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@H](O)C(C)(C)C1CCCCC1	2032276265	MZFNWRPPGZCLMU-INIZCTEOSA-N	246.394	4.635	0	10	BJAE	
CCN[C@@H](c1ccc(C)c(C)c1)C(C)(C)C(C)C	2032347294	VZSMXPKYDGUIPL-INIZCTEOSA-N	247.426	4.636	0	10	BJAE	
CC[C@H](C(=O)C[C@H]1CCC[C@H]1C)c1ccccc1	2032478915	AXTOIWYJNUNIDQ-BMFZPTHFSA-N	244.378	4.576	0	10	BJAE	
CC(C)=C(C)CCN1CCCC2(CCCCC2)C1	2033451601	UNGXMWWIOLXAPE-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)C1(CCC)CC1	2035575851	KRLKYZUCBIVXTD-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CC[C@@H](CC)C1	2035603905	XOVHIEXIJQZRLO-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCCCC12CCC2	2035926906	RQBSLHYXPHFMJE-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@H]1CC12CCCC2	2036129542	QZHJEPXLYOMPPG-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC/C=C/CN[C@H](CC)c1ccc(CC)cc1	2036764020	ZYFRKIHKUPZBIZ-KBOKABMXSA-N	245.410	4.646	0	10	BJAE	
Cc1ccc(-c2cccc(C(C)C)c2)cc1C=O	2037285147	UETPXILPLFDEJP-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1	2037676204	SZEHRKYVLMPGER-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CNC[C@]1(CC2=CCCC2)CCCC(C)(C)CC1	2039383201	GHASHABYUUZIBQ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC1CCC([C@@H](N)[C@H]2C(C)=CCC[C@@H]2C)CC1	2039436966	QWFYEJDZBOQESP-BFHKSVSOSA-N	249.442	4.523	0	10	BJAE	
ClC=CCSc1ccc2ccccc2c1	2040419427	CTNJYSIEQCKIMI-UHFFFAOYSA-N	234.751	4.684	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)[C@@]1(C)CC=CCC1	2042015946	FLDDDGABFIUDSB-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
C[C@](N)(CCC1=CCCCC1)C1CC2(CCC2)C1	2043484693	CTKCPPMAQHFVAM-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
N[C@@]1(C[C@H]2CCC=CCCC2)CCC2(CCC2)C1	2045303995	ACFBXYVYTOVBIR-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2CCC=CCCC2)CCC1	2045314318	IUGJSDZKPSQEMG-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CCCC(C)(C)C1	2045460786	SSOYTEBBZTVIOQ-CQSZACIVSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](C[C@H]1C=CCCC1)NC	2045722317	UPWXHAPAOUJBLP-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@H]1CC(C)=C[C@H](C)C1	2045779766	PFOWBVIXPLHYER-IAOVAPTHSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2046481199	CQYSCCIEZBSQKN-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1CC12CCCC2	2047051039	AVHNXEFACASUGG-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC(C)(C)C1CC([C@](C)(F)c2ccc(N)cc2)C1	2048632326	ZHZBDBSMUMBQEM-SEEARECTSA-N	249.373	4.526	0	10	BJAE	
CC(C)C1CCC([C@@H](C)N[C@@H]2CC=CCC2)CC1	2049419173	XIPGYQJEXGZZGT-RDHHWEPZSA-N	249.442	4.536	0	10	BJAE	
C[C@H](N[C@H](C)c1ccoc1)[C@@H]1CCCC(C)(C)C1	2049542810	HCQRHCYPTAECKO-BFHYXJOUSA-N	249.398	4.535	0	10	BJAE	
CN[C@H](C[C@@H]1CCC[C@@H](C)C1)[C@]1(C)C=CCCC1	2049997577	OMTXXOPTBWNFMM-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1C(=O)[C@]1(C)C=CCCC1	2050010558	VAUGVOFHABHQLV-QGZVFWFLSA-N	242.362	4.568	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2CC(CC3CC3)C2)C1	2050213481	MCSHTXBQFIIOJE-SLTAFYQDSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CCC(N)(CC(C2CC2)C2CC2)CC1	2051618635	WCPOHOHDPGMGAG-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC2(C3CCC3)CC2)CC1	2051914823	NYBAFHUDLWFAQL-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(NC2CCC(C)(F)CC2)c1	2053905047	QBOJNZVIVFUNJN-UHFFFAOYSA-N	249.373	4.893	0	10	BJAE	
CCN[C@H](C=C1CCCC1)C1CCC(CC)CC1	2056878637	MJQGWOYGLSVQDY-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@@H]1CCC12CCC2	2059179064	YAQTZLNELWCEKB-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](O)[C@H](c1ccccc1)C(C)C	2059224584	CILAGEVQHBPOOS-SJORKVTESA-N	246.394	4.534	0	10	BJAE	
CC1(CCC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	2059243375	OXLFHQRZTBLHBU-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CCCC1CC(NC2C[C@H]3CCCCC[C@@H]3C2)C1	2059393500	GZCOPYGAOMEROR-LVDPKSTMSA-N	249.442	4.514	0	10	BJAE	
CCCC1CC(N[C@@H]2C[C@@H]3CCCCCC[C@H]32)C1	2059396103	VIGLHVYYKQBVDE-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
CCCCCC1CC(N)(CC[C@@H]2C[C@@H]2C2CC2)C1	2059497376	MJMUOMGTXVEORD-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
CC(C)Oc1cccc(Sc2ccccc2)c1	2060342817	NWECHOJXISRFHN-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
CC1(C)CCC[C@H](NC2CC(=C3CCC3)C2)CC1	2061257463	CGKBELYJZFOXLV-HNNXBMFYSA-N	247.426	4.578	0	10	BJAE	
Cc1ccc(NCC2CC(=C3CCC3)C2)cc1C	2061719853	DOFBFTXFZDJFMA-UHFFFAOYSA-N	241.378	4.606	0	10	BJAE	
CCCC[C@]1(CC2CCC3(CC2)CC3)CCCN1	2062810791	MRVQWPZOPCSPNV-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC1CC2(C1)CC2(C)C	2064122095	KMUKJJBXQGJWAU-XOYHFGRZSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)C2(C)CCCC2)cc1	2067507401	BGOULBULFIFDMS-HUUCEWRRSA-N	245.410	4.614	0	10	BJAE	
CCC[C@](N)(CC1C[C@@H]2CC[C@H]2C1)C1CCCC1	2068769907	CPZVPYINVAFFLA-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)c2c(C)oc(C)c2C)CCC1	2069345199	RRMWWMVOVROMRK-AWEZNQCLSA-N	249.398	4.565	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCC1(CC2CC2)CCC1	2069508002	YZHBRSXTQUERFM-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C2(CC3CCC3)CC2)CC[C@H]1C	2069582003	XCMCMRRBHOMIGG-IPYPFGDCSA-N	248.410	4.598	0	10	BJAE	
COc1ccc(N[C@H](C)CCC=C(C)C)c(C)c1	2070398868	NUNWAPDNRVSRAV-CQSZACIVSA-N	247.382	4.550	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	2070413753	NQCCHHZTUKHVLP-YLFCFFPRSA-N	249.442	4.680	0	10	BJAE	
CC1(C(=O)C[C@]23CCC[C@H]2C3)CCCCCCC1	2070925720	JESJPJXGHJNVFX-WMLDXEAASA-N	248.410	4.886	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@]23CCC[C@H]2C3)CC1	2070966070	FQZWJKLCADDGKT-YYIAUSFCSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@]12CCC[C@H]1C2)C1(CCC)CC1	2070971659	OFCFCMHLEBEWGA-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)C[C@@H]1C[C@H]1C	2071509259	AKMXKISBZDFDOR-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@H](O)CC2(C(C)(C)C)CCC2)cc1	2071903317	FYJSSNMUAYWTPJ-HNNXBMFYSA-N	246.394	4.635	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@H]2CCCC23CC3)CCC1	2071913396	QVVFOLFARAPOFH-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)[C@]23CCC[C@H]2C3)CC1	2072799148	PNTMAHJZZVBKDA-WOYTXXSLSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](C[C@@]23CCCC[C@@H]2C3)NC)CCCC1	2074029575	OIJJFNUOJQBPKI-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@]23CCCC[C@@H]2C3)C1	2074092459	XPJNYWSRGMZTPE-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(F)c1C(=O)[C@H]1CCCC(C)(C)C1	2075982620	GZZCNEQJFXTFBM-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H]1C1CCCCC1	2079531500	RKRIPDIFLUIPCB-NCOADZHNSA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2081139118	AAHJUFUDFBHOBV-YQQAZPJKSA-N	243.394	4.766	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2CCCNC23CCCC3)C1	2083814597	SBDPSKWSSHMJNB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CCCCCCC1CC1)C[C@H]1CCCN1	2213573300	GFPNNMCSLDVBDH-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](CN)(CCCCCCC1CC1)C(C)C	2213573913	MTQKAPJCJUABNL-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
CC1(C)C[C@@H]1[C@](C)(O)CCCCCCC1CC1	2213575376	FPYGXWRKRZSNKL-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)c1scc(C)c1C	2213650898	MSGVDOJYDIWNNU-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
Cc1csc(C(=O)CC2CC3(CCC3)C2)c1C	2213661669	OKYQSZUNADBESM-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
Fc1cccc(CC=Cc2ccccc2)c1Cl	2213825186	QETKGDIDRFDBAA-UHFFFAOYSA-N	246.712	4.735	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)CCCCC1CC1	2214569050	MCESFEWXWLHSFN-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)[C@@H](CCCCCCCC1CC1)NC	2216878734	FEMVMCMWIUZUCA-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC=C1CCC[C@@H]2CNCC[C@H]12	2218416716	LGNRBPBNOCDIDZ-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccnc(C(C)C)c1	2220885647	OJUIFRDMRPQPQR-AWEZNQCLSA-N	248.414	4.976	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@@]12CCCC[C@@H]1CCC2	2220965465	ZQEVIGCJQDPCHF-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)c2ccc(C)c(C)c2)CC1	2221643829	PHFOWAIFRLNXON-QGZVFWFLSA-N	242.362	4.623	0	10	BJAE	
CCCNCc1cc(C)ccc1C1CCCCC1	2221799380	PDBHASXRETUNNM-UHFFFAOYSA-N	245.410	4.542	0	10	BJAE	
CC(C)=C(C)CCc1ccc2cc(C)ccc2n1	2224102275	NOHLRNVLIVEBNS-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
CCc1cc(Cl)ccc1C(=O)C[C@H](C)CC	2243656744	PLMUHVNYPNEOOU-SNVBAGLBSA-N	238.758	4.521	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCC[C@H](C)C1)C1CCC1	2246731628	HVMBQXUTXDJKPV-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CCCC[C@H]1C[C@H]1C	2247125296	XVSDOXCRQQKAIK-LVQVYYBASA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CCCCC[C@@H]1C[C@@H]1C)NCC	2247128820	LZUMAVSBPHWQMU-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCCC12CC2)C(C)(C)C	2247598397	CEYXZPYPPIIZLP-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(N)(CCCCC[C@@H]2C[C@@H]2C)CC1	2248805999	JFEMWYGLGCMNCP-PWUWZPNHSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)Nc1nc(C)cc2sccc12	2249494378	UWNDUDMUPRVOMX-LLVKDONJSA-N	248.395	4.595	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1CCCCC1(F)F	2250371865	NFMVBHSSOWCLFT-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@@H](C)C1CCC1)NCC	2250374913	YNEXPWQBDDCOQL-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@H](N)CCC[C@@H](C)CCCC(C)C	2250472073	BUXKDWFFWBJUCB-ARFHVFGLSA-N	241.463	4.993	0	10	BJAE	
CCCCCC[C@H](N)C[C@@]12CCCC[C@H]1CC2	2251217208	FXUSJPLFRYCBCW-JYJNAYRXSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)CC1CC(CC(C)(C)C)C1	2251585475	YNRONXPEWNQMKU-XSCHDIRWSA-N	240.431	4.636	0	10	BJAE	
CC(C)=CCCN[C@H]1CC(C)(C)CCC1(C)C	2251678257	KUMWYXTUJXHRLO-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@@H]1CCCCC12CC2	2253821101	QUWMVLNPBZPRTD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(C(=O)[C@@H]1CCC[C@H](C)CC1)C2	2254447604	KYGOANONBYNLIK-DSFJPSOSSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(F)c(C(=O)CCCC[C@H]2C[C@H]2C)c1	2254611648	RUHYKKCNLBVLBA-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
N[C@H]1CCCCCCCC[C@@H]1CC1=CCCCC1	2255092948	XGVGFJZFQVADEP-SJORKVTESA-N	249.442	4.955	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@]1(C)CC=CCC1	2255142061	RUEYXVHEIILAAK-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
C[C@]1(C(=O)CC[C@@H]2CCCC23CC3)CC=CCC1	2255310084	DWWCURLSHDWUMR-HOCLYGCPSA-N	246.394	4.662	0	10	BJAE	
CC1(CC(=O)C[C@]23CCCC[C@H]2CC3)CCCC1	2260627863	SBDVFMCEWKNTOS-WMLDXEAASA-N	248.410	4.886	0	10	BJAE	
C[C@H](CC1CC1)Oc1ccccc1C(C)(C)C	2298908215	NFLGRYFERJVRRM-GFCCVEGCSA-N	232.367	4.552	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@H]1NCC1(C)C	2299220756	JJKSTSFSVNJKBK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCC[C@@H]1C1CC1	2300679432	SNBIGEJAQMGQRT-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2300697514	PULYHPPWYNDMQS-NHAGDIPZSA-N	238.415	4.844	0	10	BJAE	
CCC(C)=CCN[C@H]1CCC[C@@H](C(C)C)CC1	2300867309	KGJUUKBMPRYETM-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](CC=C(C)CC)NCC	2300873680	BPAKWSPKWZFXEF-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CC(=CCC1(N)[C@H](C)C[C@H]1C)CCCC(C)C	2301032755	ZPQRFZXDEJGDHN-HUUCEWRRSA-N	237.431	4.523	0	10	BJAE	
CCCC1([C@H](CC2CCCCCC2)NC)CC1	2301142146	GVRRPSMDPBAANF-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
N[C@@H](CCC1CCCCCC1)C1CCCCC1	2301243512	CSTMKFYTLDEVNR-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C1=C(CCCC[C@H]2C[C@@H]3CC[C@H]2O3)CCCC1	2302341932	BLPFAPNXXCFRAP-HRCADAONSA-N	234.383	4.615	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@H]2CCCC[C@@H]2N)C1	2302512787	JMQLNSKWLFIKEP-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CSc1cc(C)ccc1C(=O)CCC=C(C)C	2303049368	OTBKZPIGUDJYNJ-UHFFFAOYSA-N	248.391	4.646	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC[C@@H]2C[C@H]2CC)CC1	2303566272	KCMXLZRHPUBZLM-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CC[C@@H](C)C(=O)C2)CC1	2303593698	ZUPIXFAHDACDNV-BPLDGKMQSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC[C@H]1CCC(C)(C)C1	2304447220	MCYYUKDZHYMWNF-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CCCC1=CCCCC1)C[C@H]1CCOC1	2307593890	UVTGWLAXZSHQCV-GOEBONIOSA-N	236.399	4.720	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](CC)CC[C@H]1CN	2307826987	SSNRZEIYZKTQPQ-YHUYYLMFSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1CCC2(CC1)CC2	2307835560	RJJWUPPIPULWJP-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C[C@@H](CC)C(C)(C)C	2307893203	HGPKTLOTHJDZRE-ZNMIVQPWSA-N	241.463	4.993	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@@]12CCCC[C@@H]1C2	2311146305	PBQTUDRIJMCBSB-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CC(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2311609608	IYZVOCMCBOGCHY-FAYQHZLMSA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@@H]2CC[C@H]1C2)C1CCCCC1	2312916362	WSGHKWHPEYZCAK-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C[C@@]12CCC[C@@H]1C2	2313030577	KJSHBQCEOOGENS-MPTYRVRUSA-N	248.410	4.742	0	10	BJAE	
CC=CC[C@H](NCC)c1ccc(C(C)(C)C)cc1	2316504486	WPZBOFNSBQKXTJ-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CCN[C@@H](CCC=C(C)CC)c1ccccc1C	2316555651	BBUFMPDXYKTNAB-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CC1	2316880544	XXVAYHRMQDZWIE-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317157510	MSZBJIPGFBKPGS-KFWWJZLASA-N	248.410	4.764	0	10	BJAE	
Cc1ccc(F)cc1NCCCC1=CCCCC1	2318551494	PZIZTCUSAYYIKY-UHFFFAOYSA-N	247.357	4.827	0	10	BJAE	
CC(C)[C@@H](NCCCC1=CCCCC1)C1CCC1	2318581040	RUBCBVIZHMLCHO-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CCC[C@H](C3CC3)C2)C1	2319318641	RPAGEXYKSAHARX-JLJPHGGASA-N	249.442	4.501	0	10	BJAE	
CC1(CCN[C@@H]2CCCC[C@@H]3C[C@@H]32)CCCCC1	2319322299	CWTKVJLPCYFOBG-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCCC1CC1)CC[C@@H]1CC[C@@H]1C1CC1	2319687246	UWMBZNPJXHCCKQ-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CNCC2(C(C)C)CCC2)CC1	2320229953	BQLOQXXNSQWRRM-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)[C@H](NC[C@H]2CC[C@H]2C(C)(C)C)CCC1	2320248165	FGBZBPBQVIOWCD-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CCC1)C[C@@H]1CCC(C)=C(C)C1	2320388513	QRALJLLHFSHEGG-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCCCCc1ccc([C@H](O)CC2CC2)cc1	2327898401	HWXGXXIPDBUVTH-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CCC[C@H](CC)CN(C1CC1)[C@H](C)c1ccco1	2328098346	UZGRXCDDLQJJCK-KGLIPLIRSA-N	249.398	4.631	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)CCCc1ccccc1	2328281518	INTCVSZZXNBRCE-RDJZCZTQSA-N	248.410	4.587	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(SC)cc1	20007808	AGEUZGDQXXHYKW-GFCCVEGCSA-N	237.412	4.789	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2ccccc2C)cc1C	21813062	QQQLDCVCIZBXCT-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCCC[C@H](NC)c1c(C)c(C)c(C)c(C)c1C	35467637	ADVXXTNLYMZUJL-INIZCTEOSA-N	247.426	4.679	0	10	BJAE	
O[C@@H](c1csc2ccccc12)C1CCCCC1	40258539	GEBAWSCBCPBLNU-OAHLLOKOSA-N	246.375	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1ccccc1CC	68868563	YXOSOGZMWULUJZ-RHSMWYFYSA-N	248.410	4.889	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H](C)c2cc(C)oc2C)C1	71120994	FRAZFIREXUNUQW-QEJZJMRPSA-N	249.398	4.516	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2cc(C)cc(C)c2)C1	87984512	WALJCDUFVVKLBZ-LSDHHAIUSA-N	244.378	4.703	0	10	BJAE	
CCCCC[C@@H](NCCC1CC1)c1ccccc1	88454952	ISLHEGBVJTXYMD-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CC[C@@H](C)[C@H](CNC(C)(C)C)c1cccc(C)c1	93190254	QJKORMBXQRAXLJ-ZBFHGGJFSA-N	247.426	4.513	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CCC[C@@H](C)C2)cc1	103929373	DHRUXEFPMOOHFR-CJNGLKHVSA-N	244.378	4.819	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](NC)C(C)(C)CC)cc1	110201647	VKISTXJUMARMIE-CJNGLKHVSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1ccc(CC)cc1	111817288	UKZHGNNAMDSZQQ-RDJZCZTQSA-N	248.410	4.889	0	10	BJAE	
CCc1ccc(C(=O)C2(C)CCCC2)cc1CC	127906668	RJVBRALGBNRBPJ-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC(C)[C@H](C)CN[C@@H]1CC[C@@H](C)c2ccccc21	136969539	HKWWSDWXHKGSOT-CKEIUWERSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)C(=O)CC1CCC(C(C)(C)C)CC1	145819653	FUQGLUQQFVDYOY-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCNC[C@H](CC[C@H](C)CC)c1ccccc1	155724549	QGITZBJMDSBYHN-WBVHZDCISA-N	247.426	4.596	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(CNCC)C1CC1	164152816	DKVSMASTXBAXII-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CC1CCCC1	168915547	BYGCWGIWPCAHFE-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCNCC1(CC2CCCCC2)CCCCC1	203433752	CWGLSQMUDHFAHV-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC(C)c1ccc2c(c1)[C@H]1CCCC[C@@H]1CN2	214027617	PYBRWMPLKAAQQW-KGLIPLIRSA-N	229.367	4.509	0	10	BJAE	
c1ccc([C@H]2O[C@H]3CCCCCC[C@@H]3S2)cc1	215763692	VYPDVTOQVKFMNA-KKUMJFAQSA-N	248.391	4.540	0	10	BJAE	
CCCC[C@@H](CCC)NC/C=C/c1ccccc1	226038165	RMDPOZBCDWQFIZ-JZUUQJBKSA-N	245.410	4.648	0	10	BJAE	
CCC(CC)[C@@H](NC)C1(CC(C)C)CCCC1	228686908	LIYORWJAVOSIAI-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CCCC(C)(C)C)C1	300884011	OXAHJGXTJBFTGX-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1cc2ccccc2s1	306105801	SGECLFONUMQQJC-IAQYHMDHSA-N	248.391	4.617	0	10	BJAE	
CC1(C)C(N[C@@H]2CCCC23CCCCC3)C1(C)C	313000910	AZZWJJJFCURMGS-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1cccc2ccccc12	319362619	OTBDYVCGOMBOBX-DCGLDWPTSA-N	242.362	4.555	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C(C)(C)C1CCC1	322212703	QDNMMSWCTIIHCL-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](N[C@@H](C)c1cc(C)oc1C)C1CCC1	322670946	HQPOYIOWSJRFTA-BLLLJJGKSA-N	249.398	4.516	0	10	BJAE	
Cc1ccc(NCC/C=C\c2ccccc2)cc1	323594049	OMABGYPTFUASNY-UITAMQMPSA-N	237.346	4.510	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)c1ccoc1	383282639	PJFIRNGDJBHLOH-HNNXBMFYSA-N	237.387	4.537	0	10	BJAE	
C[C@@H]1C[C@@H](CC2(C)CCCC2)c2ccccc2N1	386469424	UNLIFUOFTVSFCV-KGLIPLIRSA-N	243.394	4.945	0	10	BJAE	
CCCC1(CNC[C@H]2CC(C)=C[C@H](C)C2)CCC1	391785516	SBURTTRTNAEUDL-GOEBONIOSA-N	249.442	4.539	0	10	BJAE	
Clc1ccc(Cl)c(NCCCC2CC2)c1	394569629	PKDLJUNTBZXBPP-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
Cc1ccc([C@@H](C)NCCC2CCCCCC2)o1	394650307	YQCRJPOOXFCCLV-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CCc1ccc(F)c2c(C(F)F)csc12	396202954	UFUIDKPECYAUFW-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1csc2c(C)ccc(C(F)F)c12	396225552	QUDUDXVZQRIRHA-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C1CCC(C)CC1	400438981	ACZOTWMNKSMPNQ-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3C[C@H]3C2)CC1	403689448	RTNAXGXXYJGYBQ-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)Nc1cc(Cl)c(C)c(Cl)c1	606289619	CPXFTNLMQIVHLX-SSDOTTSWSA-N	232.154	4.512	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CCCC(C)(C)C	691190777	WQIBYRUKFFKODR-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@]12CCC[C@H]1C2	693141251	AOFOFARVHQJUIS-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@@H](N)[C@@H]2CCCC3(CC3)C2)CC1	695984551	LEJUDRWRWDUOSQ-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)C1(C(C)C)CC1	697625860	INUUZUPXCBUHPJ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H](C)CC(C)(C)C	701389024	UDNWYSWWUFZCJF-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@]2(N)CCCCC23CCCC3)C1	704489207	QBSSBTGEFUASQB-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@]1(N)CCC12CCCCC2	705265424	JIFDNYBWFKDHIU-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NCCC1CCCCC1)[C@@]12CCCC[C@H]1C2	709154931	LUOCNBGTFAGBRU-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C1CCCCCCC1	718690417	KCRUVYZRRXQQPH-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
Cc1csc(C)c1C(=O)CC1CCCCC1	724946930	UMYPUWOZGZEZAW-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
C[C@@H]1CCN(CC2(C)CCCC2)c2ccccc21	1560743429	QDWVIEWFUDSBMK-CQSZACIVSA-N	243.394	4.581	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NC1CC(C(C)(C)C)C1	1560856987	VKJNSZFTGBUXRQ-FEWQNLEASA-N	239.447	4.616	0	10	BJAE	
CC=Cc1ccccc1Oc1ccnc(Cl)c1	1884302438	FSZKNKZWIGRMDU-UHFFFAOYSA-N	245.709	4.560	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@H](C)CC1CCC1	1899416522	NCIHTBCYRMCVAO-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](CC=C(C)CCCC(C)C)[C@H](C)N	1900900258	JSQZXNAAWXHNGN-GJZGRUSLSA-N	225.420	4.523	0	10	BJAE	
CCC(C)=CCC(=O)CCC1=CCCCC1	1901691666	OKAMZHRWKYVPHX-UHFFFAOYSA-N	220.356	4.583	0	10	BJAE	
CCc1cscc1NC[C@@H]1CCCC[C@@H]1C	1902381347	MLDBZKHANVUJNS-AAEUAGOBSA-N	237.412	4.549	0	10	BJAE	
CC(C)C(CC[C@@H]1CCCC[C@@]1(C)O)C(C)C	1909135359	UPGJIMNPORQNAO-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
CCC(F)(F)C[C@@H]1CCCCCCCC[C@H]1O	1913383412	ASWUWTHWEDTJCK-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
N[C@@H]1CCCCCCCC[C@H]1C[C@@H]1C=CCCC1	1913384742	QWDUCCUNBUTRNW-IXDOHACOSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@]1(CNC(C)(C)C)C=CCC1	1916357405	VEKURTIBSUULDT-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@]2(N)CCC3(CCCC3)C2)CCCCC1	1916410053	NQSSJCMZPFBNEK-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC1([C@@H](N)CCC[C@@H]2CC2(C)C)CCCCC1	1940883448	ODUPHVYQKCNDJU-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)CC1=CCCCC1	1940884855	ZTRFHCRGNYDMGW-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)CCC1CC1	1941586869	NIXGAOZKKQHWOM-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC(C)(C)C)C(C)(C)C1CCCC1	1944639502	FZFSCTDVKKGGHA-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H](C)[C@H](C)CC)C(C)(C)C(C)C	1944681186	SIYAGQREZQDUPY-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCC[C@H]1C)C(C)(C)C	1944843239	QEBZRAMQIUKUHQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(c2cccc(C[C@H]3C=CCCC3)c2)CC1	1947566643	YUGBYLBQYYPCOY-AWEZNQCLSA-N	226.363	4.637	0	10	BJAE	
CCCC[C@H](C[C@H]1CCC[C@H](CC)C1)NCC	1948426880	YAEULELHHUYXTK-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1ccc(C)cc1C	1948947841	UHCBROGWYXTSJY-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C2=CCCCCCC2)s1	1948953416	CLBVFRTVYOQEDO-AWEZNQCLSA-N	249.423	4.645	0	10	BJAE	
CC(C)=C(C)CCc1nc2c(s1)CCCCC2	1949144192	OQMJWLVHUUSALS-UHFFFAOYSA-N	249.423	4.701	0	10	BJAE	
C[C@@H]1CC[C@@H](Oc2ccccc2C(C)(C)C)C1	1949501719	OZHFMRBNHXAWQI-CHWSQXEVSA-N	232.367	4.552	0	10	BJAE	
C[C@H](CC[C@H](O)CC1CCCC1)CC(C)(C)C	1949866089	GNCLZQGCIHDTBT-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H]1CCCC(F)(F)CC1	1950011596	KBZOJTOHTYTKLT-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CCC[C@@H](C)CC1	1950925112	QIYPLOGFBUQJNI-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CN(C)C[C@@H]1CCCC(C)(C)C1	1964614691	LZNSAXLSUIQGSZ-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCC1CCC(N[C@H]2CCCCC23CCC3)CC1	1967799205	TZRAOYFOPGIJEO-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CC3(CCC3)C2)c(F)c1	1968327086	SHKMDOCJOFYQIA-GFCCVEGCSA-N	247.357	4.515	0	10	BJAE	
CCOc1ccccc1N[C@H](C)CCCC(C)C	1968332306	WMOCXVYHUTWENJ-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
CCc1cccc(OCC[C@@H]2CCC[C@@H](C)C2)c1	1968357098	CCJBQWZQYCXAHM-ZBFHGGJFSA-N	246.394	4.844	0	10	BJAE	
CC(C)C[C@@H](C)N(C)Cc1ccc(C(C)C)cc1	1968376685	DQJQLBROMFNMEY-OAHLLOKOSA-N	247.426	4.676	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H]1CCCC2(CCC2)C1	1970484927	AIMSYNBDAOKPON-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1Nc1cccc(C2CC2)c1	1972458778	FQSWOMKAOWRHMH-IAGOWNOFSA-N	243.394	4.801	0	10	BJAE	
Cc1cscc1N[C@H]1CCCC2(CCC2)C1	1976292632	VWWGOTZOIVAEPR-LBPRGKRZSA-N	235.396	4.581	0	10	BJAE	
CCc1csc([C@H]2CCC[C@@H](CC)CC2)n1	1976348275	AXZOCIQXMQALSW-NEPJUHHUSA-N	237.412	4.779	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)cc1)C1CC(C)(C)C1	1977369939	YUWXHCJRWQAEHN-SNVBAGLBSA-N	237.774	4.577	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccccc1Cl	1978452270	ZFMKBXSZHVJRSW-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CCCCCC[C@H]1CCCCCC[C@H]1NC	1980340477	XIAMHUGKRISKPC-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CC(C)CCCC[C@H](O)c1ccccc1Cl	1980682305	TZXZFEFNQPSJQY-AWEZNQCLSA-N	240.774	4.590	0	10	BJAE	
CCCC[C@](CC)(CNC)CC(C)=C(C)C	1989652646	YZLQASRSSRVUQK-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CC1CCC(c2nc(C3CCC3)cs2)CC1	1995467147	ISAVDRJHKPPUNT-UHFFFAOYSA-N	235.396	4.704	0	10	BJAE	
C[C@@H]1C[C@@H]1c1nc(C2CCCCCC2)cs1	1995499123	YLQYMEYHUBFNRQ-PWSUYJOCSA-N	235.396	4.704	0	10	BJAE	
CCCC[C@@H](CCC[C@H](C)C(F)F)NCCC	1996095635	WHLBJDHYVVZHAE-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC1CC(C)(C(=O)C[C@H]2CCC=CCCC2)C1	1999978970	KUYXJTSTPRCURK-BBBYJDLNSA-N	234.383	4.518	0	10	BJAE	
CCC1CC(C(=O)C[C@H]2CCC=CCCC2)C1	1999981787	RUIMSAYCXLOZGT-SLTAFYQDSA-N	234.383	4.518	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C1CCC(C)CC1	2000515865	UAAKHWKTEGIWHJ-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CCCC1(C)CC1)CNC1CC1	2000517651	GJYIJBUPZXYRPY-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@](C)(CNCC)C1CCC(CC)CC1	2000519988	GJWAWNZJLOBUIR-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC1(N)CC2(CCCCCC2)C1	2000669558	IWFQDNCGXKGGBW-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC[C@@]1(N)CCCCC12CCCCC2	2001572130	KQVJEDUDFCDGQX-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@@H](C)C(C)(C)C)C1	2003021312	QFVYLDHEJREJCK-NYTXWWLZSA-N	239.447	4.602	0	10	BJAE	
CC1CCC([C@@H]2CCCCCCC[C@H]2O)CC1	2003120033	XNWSUMHQDZABST-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(C[C@@H]1CCCC2(CC2)C1)C(C)(C)C	2003208633	OXVHSZUDXGACLB-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2004198144	QELUJFHWOVKBGE-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
CCCC1(CNC2CCC(C)(CC)CC2)CC1	2004350440	PTAFNYZRDFVRQE-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(CN[C@@H]2CCC2(C)C)CCCCCCC1	2004937344	NOTJAGHYOATBHR-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C(=O)C2(C)CCCCCCC2)co1	2004937779	UQYMUBRKTCKCCR-UHFFFAOYSA-N	234.339	4.521	0	10	BJAE	
CC1([C@@](C)(N)C=C2CCCCC2)CCCCC1	2007962904	DHLFWYURGGVDFJ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)C[C@H](C)C(F)F	2008583781	VOWWQWPGTADMMI-SGMGOOAPSA-N	249.389	4.602	0	10	BJAE	
CC=CCCC[C@@]1(O)CCC[C@H](CCC)CC1	2009591695	IZAICHUDSDSNEK-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCC[C@H]2CCC)C1	2009715616	HLZWUCAHURNUJR-GYTBAZASSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C)CC1)C(CC)CC	2010620197	BTZZOCUJLJXYKR-CZUORRHYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC1=CC[C@H](C(C)(C)C)CC1)NC	2010765923	QSGXUNPMMHFDCM-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCC[C@H]1C[C@@H]1C	2011571321	CWJLUHHWQPXQOR-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CC[C@@H]1CC1(C)C	2013312191	PYMSYLBRWQSECY-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)[C@H]1CCC1(C)C	2014886235	WRSVRYKSVHPERA-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CSc1ccc(N[C@H](C)[C@H]2CCC2(C)C)cc1	2014906407	ZDHOLSSINREBSE-BXUZGUMPSA-N	249.423	4.645	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)c1cc2ccccc2s1	2015277522	HRCIHPRJSONXKX-YPMHNXCESA-N	247.407	4.583	0	10	BJAE	
CCC[C@](O)(CCC(C(C)C)C(C)C)C1CC1	2015335497	LSPLMKCRBLBSEP-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCC(C)(C)C2)CCC1	2015643169	YYXNNGKLGDOQBY-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C1CC(C(C)(C)C)C1	2016145836	QQKLXVAENIFSFS-XUJLQICISA-N	238.415	4.556	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC2(C(C)C)CCC2)C1	2017129587	QJWFFNDEFIMJNE-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@H](CC1(C(C)C)CCC1)NC	2017146879	XEGKJQUMJJRPNZ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)N(C)CC1(CCC)CCC1	2018180247	UCDWFMAHILBWMB-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCCC1(C[C@H](O)C2CCC(C)(C)CC2)CC1	2018975347	RXYRMCHWQARYRI-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@]2(O)CCC[C@@H](C(C)C)C2)CC1	2018980647	RXDHXXSKBIPISY-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC[C@]1(C)CCCN([C@@H](C)CCC(C)C)CC1	2019421178	LVRPIHGBNBBTLL-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CCCCCCN(C)CCC(C(C)C)C(C)C	2019939891	WTYGVKHILYVIAW-UHFFFAOYSA-N	241.463	4.817	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H]1C[C@@H]1C(C)(C)C	2022559012	AZTFXGYTVQPTQN-DZKIICNBSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(N)(CC(C)C)CC(C)C	2022563120	OPWDENLEYZZBCZ-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)C[C@H]2CCC[C@H]1C2	2026245233	UDHHWEJOFCZLNT-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)O[C@@](C)(O)CCCCC	2026323577	IVWITBAWLDSPLR-HUUCEWRRSA-N	244.419	4.651	0	10	BJAE	
C[C@@H]1CC[C@H]([C@](C)(F)c2cccc(N)c2)C[C@H]1C	2027940187	MFDQGXCRTCPRAF-UNIGVISCSA-N	249.373	4.526	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C1(C2CC2)CC1	2028104519	DMQFLVQLMANNHO-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1ccc(C2CC2)cc1	2028599018	WNJWWZXANZUHPY-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CC(C)CC[C@@](C)(N)c1ccc(C2CCC2)cc1	2028612083	NIPYFSBHPNTYSW-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1ccccc1CC(C)C	2028928496	XDMSKECSQKTUAY-MRXNPFEDSA-N	247.426	4.711	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]3C2)cc1	2029081091	OHWZZYMLCQSBER-JJAZEVLHSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CC[C@H](C2(N)CCC3(CCC3)CC2)C[C@H]1C	2032249291	BFSMQNHLZOBVQU-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1c(C)oc2ccccc12	2037093969	XQCZHHIPNFJXEL-SMDDNHRTSA-N	245.366	4.567	0	10	BJAE	
CN[C@H](CC[C@H]1CCC(C)(C)C1)c1ccccc1	2037697671	IUHYEVXSYKGRDK-GOEBONIOSA-N	245.410	4.554	0	10	BJAE	
CCCc1cccc([C@H]2CCC(C)(C)C(=O)C2)c1	2037856283	PFVNDQKAOUZEER-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
CCC1(C[C@@H](CC23CCC(CC2)C3)NC)CCC1	2039415317	KHYZFFLDDBZLRX-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](CC2(N)CCC(C3CCC3)CC2)C1	2040164843	CETLKSZMJYGZKG-HOBHPSKFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](N)[C@@]23CCCC[C@H]2CCC3)C1	2040169812	RLYKCBQKAXBILL-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CCCC1CC(CN[C@H]2CCCC3(CCC3)C2)C1	2041287432	HOYZTZDMSFUHHX-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1N(C)CC1CCC=CCC1	2045312979	SVBZXSVDIFMNQD-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
Cc1cccc2c1ccn2[C@H]1CCCC(F)(F)C1	2045450505	PQBXIPHMAMBAOV-LBPRGKRZSA-N	249.304	4.700	0	10	BJAE	
Cc1c(F)cccc1C(=O)[C@H]1CCCC(C)(C)C1	2045457777	NSFNBXYQVVVTKY-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CN([C@H]1CCCC2(CC2)C1)[C@@H]1CCCC(C)(C)C1	2045523359	XRQKYJODGZWQPX-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CC=C[C@H](NCCC)c1ccc(CC(C)C)cc1	2045812266	FNAKVOWOFVYGSW-KRWDZBQOSA-N	245.410	4.502	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@H]2CC23CCCCC3)[C@@H](C)C1	2047060938	BEHMNGGNCFTELZ-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1[C@@H]2CCCCC[C@@H]12	2048371313	ZNFICSRVMVRFLJ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1CC([C@@]2(N)CCC3(CCCCC3)C2)C1	2048618683	HXIQYBAQVLXFNC-VMBOVVBDSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C2(CNC(C)C)CCC=CCC2)C1	2048634774	SJRGDDLYXFREBT-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1CC1CCC2(CC1)CC2	2049850571	YTSYNLHHCNNVGS-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](C)CC(N)(CC2CCC3(CC2)CC3)C1	2049863182	XRTQDFLSXUZMSD-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)CC2CC3(CC3)C2)CCCCCCC1	2052480992	WHQCURFTVKUREB-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CCCNC[C@]1(C2CCC2)CCCCC12CCC2	2053354309	DKBCCQCKOZVKDT-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@@H]1CCC[C@H]1C	2053924700	PTLHXCWJOSOGIX-KEYYUXOJSA-N	245.410	4.636	0	10	BJAE	
FCc1ccc(N[C@@H]2CCC23CCCCC3)cc1	2055669599	MLKGDMSGWBMIPR-OAHLLOKOSA-N	247.357	4.681	0	10	BJAE	
C[C@@H](Nc1ccc(CF)cc1)C12CCC(CC1)C2	2055671399	HXKUBQJCHDAUBL-VEAWUBTESA-N	247.357	4.537	0	10	BJAE	
C=C=CCC[C@H]1CCCCCCCC[C@H]1NCC	2061560205	DCDPZXQBSZKFFJ-DLBZAZTESA-N	249.442	4.836	0	10	BJAE	
Cc1cc(C)c(CC2CC(=C3CCC3)C2)c(F)c1	2061726539	RHJQZWWZNYVLDK-UHFFFAOYSA-N	244.353	4.876	0	10	BJAE	
CC1(C[C@]2(N)CCCCCC23CC3)CCCCC1	2062017776	PYXAUHHBIXWFAV-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNc1ccc(C(C)(C)C)cc1	2062650526	DWCKYNYKQMYLKC-ZIAGYGMSSA-N	245.410	4.832	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@@H]3CC[C@@H]3C2)C1	2068707704	LEGKDGMEPWFYQZ-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@]1(C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCN1	2068780465	PMBOBDUFDHGOKR-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2072094388	YZWFUWJEMGNRMV-SYAUCNOPSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@](C)(NCC[C@@]23CCC[C@H]2C3)C1	2072598522	OMZWCZRORIKNAR-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CCC[C@@H]3C[C@H]32)CC1	2072805930	HCOKKUNRERNHPX-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(C)c(O)c1C	2073346490	NITJAITYRQNBGJ-AWEZNQCLSA-N	249.398	4.780	0	10	BJAE	
CC(C)(NC[C@@]12CCCC[C@H]1C2)C1CCCCC1	2074047259	PMCFLBBXSHUDFC-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](N2CCCC23CCCCCC3)CCCC1	2075402143	UJRDTLLHFHRRTO-MRXNPFEDSA-N	247.426	4.674	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@H]2CC[C@@H]2C2CC2)c1	2077262712	DFNRNJKMARXMSS-WBVHZDCISA-N	241.378	4.555	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@H]1C[C@H]1C1CCCCCC1	2079431504	LQMRMHZYGSNOQW-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
CCCC1(NC[C@H]2C[C@H]2C2CCCCC2)CCC1	2079650829	MUDUTTHCUDEEEH-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC1(NC[C@@H]2C[C@@H]2C2CCCC2)CCCC1	2079651348	PTUQHZXPFQKIST-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2C[C@@H]2C2CCCC2)CCC1	2079833316	SSRIKBFOWCJZQA-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC(C)(C)C1)c1ccoc1	2082980392	VBHBBUPSBNYDEL-UKRRQHHQSA-N	249.398	4.537	0	10	BJAE	
CCC1CC(C[C@H](N)c2cccc(C(C)C)c2)C1	2085000135	FMYIWMFKDWVENK-KVULBXGLSA-N	245.410	4.636	0	10	BJAE	
CCCCC[C@@H](N)c1cc(C)c(Cl)c(C)c1	2210143203	YHHMHRZGQBDZMK-CYBMUJFWSA-N	239.790	4.537	0	10	BJAE	
CC(C)[C@@H](C)C(=O)CCCCCCC1CC1	2210526385	DPVNEAYTDVWCBX-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CC[C@H](CC[C@@H](N)C2CCCCC2)CC1	2214766530	ZGRUURPQAHVEMJ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCCC(F)F)C[C@H](C)CCC	2216417733	OOPODRPTTYLZQF-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@H](C)[C@@H](C)CC	2217127937	JCETYIMPAWGEIX-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CC1(CC(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218308604	GCNHGNNRAWQJRD-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@H](CN[C@@H]2CCC(C)(C)C[C@@H]2C)CC1	2221668726	QRCRJFSQZMEDFI-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C(=CCCCCCCC2CC2)C[C@H]1CN	2223132699	NBCAZMABWXRODU-INIZCTEOSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H](C)NCC1(CCC2CCCC2)CC=CC1	2223559674	QFGIVGBOFYSBLT-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
C(=C/c1ccccc1)\CCc1ccc2c(c1)CCC2	2226211726	YRCMXXWWSWOTOZ-RUDMXATFSA-N	248.369	4.821	0	10	BJAE	
C1=C(CCCCc2ccccc2)CCCC1	2243237390	LNFSACSYMWQWGQ-UHFFFAOYSA-N	214.352	4.900	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)c1ccsc1	2243904151	ZDIFESOLSXSOPV-VXGBXAGGSA-N	236.380	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC(CC)CC)NCC	2244783872	RTGBQLUIGLMGTK-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](N)CCCC[C@H](C)CCCC(C)C	2244868766	SIWQPRVNHGCXHM-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
CCCCC[C@@H](N)CC[C@H]1CCCCC12CC2	2246629516	HBWVNAGNVNKREE-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@H]1CCC12CCC2	2247386579	MBJBXCBQZUGGEZ-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)c2csc(C3CC3)c2)C1	2248070262	RPYABHRNCDXNHL-MNOVXSKESA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cccc(C(C)C)c1	2250371679	MJJSWNKJLGPORK-XJKSGUPXSA-N	233.399	4.636	0	10	BJAE	
CCN[C@H](CC[C@@H](C)CCCC(C)C)C(C)C	2250468381	CODKREGCGLCJMC-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)[C@H](C)C1CC1	2250476141	NLGDDSKMOGQPCJ-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](F)(CN)C(C)C	2250529059	ONWUPANIUUFLCO-HUUCEWRRSA-N	245.426	4.552	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1(N)CC(C2CCCC2)C1	2254605061	LOPFDGVUJYORBQ-PMRDFSHISA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CCC12CCC2)C1CCCCC1	2254967948	ZDJRPRAHGZGMLP-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CC1(c2ccccc2NC[C@@H]2CCC2(C)C)CC1	2254980714	UHUBCJWEAPLWPJ-ZDUSSCGKSA-N	243.394	4.586	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@@H]1CC=CCC1	2255095058	QOHHHCKHBLKQDJ-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
Cc1cc(NC[C@H]2CCC[C@@H](C)C2)cc(C)c1C	2258234771	DSEHKPJTYHBIOR-WBMJQRKESA-N	245.410	4.850	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cccc(C2CCC2)c1	2259435198	AIVWNRZOODOWGK-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
C[C@H](C[C@]12CCCC[C@H]1CC2)[C@H]1CC[C@H](N)CC1	2260653174	XGPSMYBQAUQOOK-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@H](O)c1cccc(C2CCCC2)c1	2260661635	KGYMGQHXLBRWAR-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CCCC1CC1	2300869858	NOYQKYOIJHCNOF-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCCC(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301140864	SPNTXFKWIYTMEI-KKUMJFAQSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC[C@](N)(CC2CCCCCC2)CC1	2301141905	DMHIIWFNXWFLGK-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCC(C)(C)C2)C1	2302763868	RHQNPPYDEWABEZ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCCC[C@@H]2C[C@@H]21	2302987232	LKMJZHKBPDGBNW-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](C)(CNC)C[C@@H]1CCC(C)=C(C)C1	2303518895	CEHLGWXUZGDAJI-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1C[C@@H]1c1csc([C@H]2CCC[C@@H](C)CC2)n1	2307684865	VORBCXYPAAZYCT-VOAKCMCISA-N	249.423	4.950	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)C1(C)CCCCC1	2307816509	GAOPHLJGJOITNO-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(O)CCCCC(F)(F)C1	2307832619	UYUUDQGIGVVWLX-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(O)CCCCC12CCC2	2307840877	HBLHPIMOMWWPCH-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2C[C@@H]3CC[C@H]2C3)cc1	2308575633	WSWPPJOZVFRJDP-YXPYIKCWSA-N	243.394	4.801	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC[C@@H]2CC[C@H]12	2309516736	WMRJAAJNIZJQSO-PMPSAXMXSA-N	243.394	4.548	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@@H]1C)[C@@H]1C=CCCC1	2310435951	XGBJITNVKOYVDO-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@]12CCCC[C@@H]1C2)C1CCCCC1	2311130346	MQKMHVAEXMERML-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)C[C@@]23CCC[C@@H]2C3)C1	2312670303	MWFJYWVSQDADPC-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(C[C@@]23CCC[C@@H]2CC3)C1	2313343541	FVBRMZFWFLIHHC-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C12CCCC1CCC2	2316536066	KILNTUVXALZEJZ-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H]2CCC[C@H]1CC2	2316883268	GYAAKSABWDFLFW-DMRKSPOLSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(OC[C@H]2C[C@H]3CCC[C@H]2CC3)c1	2316886171	POWSGGJJDBHHSE-HRCADAONSA-N	244.378	4.590	0	10	BJAE	
CCN[C@H](C[C@H](C)[C@H](C)C(C)C)c1ccccc1	2317827920	OOHIKGLUTOQNAV-ZMSDIMECSA-N	247.426	4.656	0	10	BJAE	
C[C@H]1[C@H](Nc2cccc(C(C)(C)C)c2)CC1(C)C	2318181743	HAUDEYNGYILTLB-SWLSCSKDSA-N	245.410	4.831	0	10	BJAE	
O=C(CCCC1=CCCCC1)C[C@H]1C[C@H]2C[C@H]2C1	2318513734	YYVGTPMSINTUND-PHZGNYQRSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC[C@H](CCCC2=CCCCC2)[C@H](N)C1	2318537729	GOKMIICIXCLKTI-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)[C@H]1CC12CCCC2	2318575222	CHTLERGIQODXOS-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)C[C@]12CCC[C@@H]1C2	2318592818	MUQCBQFPCGVPJE-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@@H]2C[C@H]2C2CCCC2)C1	2319127929	FFRIFEQFGFKBTD-AEGPPILISA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](Cn2ccc3cccc(F)c32)C1	2319308980	PMFHTYCSHHRPRR-GFCCVEGCSA-N	245.341	4.607	0	10	BJAE	
CCC[C@@](N)(C1CCC1)C12CC(CC(C)C)(C1)C2	2321593275	RZXFYOMRQWZZCP-OFLPRAFFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)CCc1ccccc1C	2328302102	NXCZEHMBVXSIPY-HNNXBMFYSA-N	246.394	4.713	0	10	BJAE	
Cc1cccc(NC2CCCCCCC2)c1	20018753	DLMPXMVGSHOGLM-UHFFFAOYSA-N	217.356	4.520	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cc(C)ccc1F	20520421	QTLKDVDNVCIJSU-CYBMUJFWSA-N	237.362	4.905	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)CCCC(C)C	21008766	LEPBSWMUPVAJLK-LSDHHAIUSA-N	227.436	4.760	0	10	BJAE	
CCC[C@@H](C)CNc1cccc(C(F)(F)F)c1	21059608	RAAIIRZAMATBIU-SNVBAGLBSA-N	245.288	4.554	0	10	BJAE	
CCCCC[C@H]1CCCC[C@@H](NCCC)C1	70746200	MXIHRPGDOWZSDJ-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CC(C)(C)CCNc1cc(Cl)cc(Cl)c1	71085626	QOIWRSKETMBXDB-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
Fc1ccccc1Nc1ccc2ccccc2c1	82715847	CJFQSKRNJCPSDY-UHFFFAOYSA-N	237.277	4.723	0	10	BJAE	
CCC1CCC(C(=O)c2cc(F)ccc2C)CC1	85078815	BVTXYINMVPDXNG-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C)CC2)cc1F	86879158	LOBYAPMXKIHCHV-YPMHNXCESA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)c1ccc(C(C)(C)CC)cc1	90482938	RJHXGLKADRWLOJ-CZUORRHYSA-N	247.426	4.810	0	10	BJAE	
CCC1CCC([C@]2(C3CC3)CCCCCN2)CC1	91875402	HRJMLQKULJNEHC-DQPZFDDXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1	109786751	WSWPPJOZVFRJDP-SHFYGJNESA-N	243.394	4.801	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1ccc(C)c(C)c1	124552714	ITIZKKZSALQTQX-RDJZCZTQSA-N	247.426	4.910	0	10	BJAE	
CC[C@@H](N[C@H]1CCC(C)(C)C1)c1ccc(C)cc1	124980312	IWXACZDPASWVRM-JKSUJKDBSA-N	245.410	4.614	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CCC1CCCC1	125076371	KFWOMAZALGKART-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCCCC[C@@H](CCC(C)(C)C)NCC	126742913	DAHAYQLOQROLLI-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC(C)(C)NC[C@H]1CC12CCC1(CCCC1)CC2	130178245	YYSNYJPBKIDUQH-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)c1cc(C)cc(C)c1	132594530	FTPISUZCPPCZBT-GJZGRUSLSA-N	233.399	4.533	0	10	BJAE	
Cc1c(F)c(Cl)c(Cl)c(Cl)c1Cl	142335253	GSARSSMYRVLAPU-UHFFFAOYSA-N	247.911	4.748	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C1CCCCCC1	149208818	AWOLVXBDFSISBP-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(F)c1-c1c(F)cccc1Cl	160410143	XBPJJBYIHGMABQ-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CN[C@H](CCC1CCCC1)CC1CCCCC1	161031578	UOMDBVYGUNZXCS-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC1CC(CNC(C)(C)C)(C2=CCCCC2)C1	161461592	QZWOUKIIYROVKY-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C1=CCCCC1	161462005	UBGQJOYBTWASAO-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1c(C)oc(C)c1C	165788955	NFFJQDWUTXBXBI-ZIAGYGMSSA-N	248.366	4.604	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)C1(C)CCCC1	167171835	UJFDSUNDALDWJK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1ccc([C@@H](C)CC)cc1	167237932	BXBVDQUEFPZGEN-GRDNDAEWSA-N	247.426	4.897	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)c1ccc(C2CCC2)cc1	226799486	ZXKKCBPLHWPNTD-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
Clc1ccnc(-c2cccc(C3CCC3)c2)c1	227694185	YUAINRXRWQKHOM-UHFFFAOYSA-N	243.737	4.670	0	10	BJAE	
Cc1cc([C@@H](O)C[C@@H](C)CC(C)(C)C)cs1	228754448	XHNFNZSMOSYXPC-MFKMUULPSA-N	240.412	4.552	0	10	BJAE	
CCCN[C@@H](c1cccc(CC)c1)[C@@H](C)C(C)C	228848636	WDFQAEOTFDLKRE-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
Cc1cccc(N[C@H]2CCC23CCCCC3)c1C	230162512	FZCAWCOITMSFOW-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
CCCCCC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	231442736	OYHBVIVHDDOJGI-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)[C@]1(O)CCCC[C@@H]1c1ccccc1	233340660	BNXOZBKABFYCCT-USXIJHARSA-N	246.394	4.512	0	10	BJAE	
CC[C@H](C)c1ccccc1NC(=O)O[C@H](C)CC	242647550	CQTJOGFCUAXDQI-NWDGAFQWSA-N	249.354	4.547	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](C)CC[C@H]1CN	251388225	STIXOPYIBGEAOE-UGUYLWEFSA-N	239.447	4.604	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H]2C[C@@H](C)Nc3ccccc32)C1	300115005	ANTLESJSOMHPCI-HGTKMLMNSA-N	243.394	4.801	0	10	BJAE	
C[C@H](C[C@H](O)C1=CCCCCCC1)C(C)(C)C	300143026	VMLITZKXYCSVEW-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@H]2CCC[C@@H]2C)cc1	300278704	BALKLBVMMBIVKD-PYTWLRIVSA-N	245.410	4.636	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@H](C)CC(C)C	302294476	GRSJONDPTNBKRI-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)CC1CCCCCC1	302330877	SLXGXPWPRWWOMP-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
Cc1cccc(F)c1NC(C1CCC1)C1CCC1	302639770	SQYHJQMLJYFMTM-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)C[C@@H](C)C(C)(C)C	305910050	HVEGWKXQTSOVQX-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc([C@H](C)NC[C@@H](C)CC(C)C)c(C)c1	305930371	JQNZAQQCTFYDSS-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
CSc1cc2sccc2c(S)c1Cl	307280332	YULIJKNQBKBTBL-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)C1=CCCCCCC1	308020772	JZGWSWOBMRVUTI-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)C1=CCCCCCC1	308057816	DGFANYAKYRXPIZ-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
Cc1cccc(NCC2(C)CCCC2)c1Cl	309423839	WYUCPKBYBXSPIU-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
C[C@@H]1CC[C@@H]1N[C@@H](CC(C)(C)C)c1ccccc1	310634073	PAZQYNHICNEPFU-KBMXLJTQSA-N	245.410	4.552	0	10	BJAE	
CNC[C@]1(C[C@H](C)C2CCCCC2)CC=CCC1	317870926	KZCYWQHMJBFHJP-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)C(C)C)c1ccccc1	320052677	ZDEJKZNQUNYASL-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
CCCC(=O)CCCC/C=C/c1ccccc1	324148836	OCVKSWFLWHMLDX-IZZDOVSWSA-N	230.351	4.629	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@H]1CCCC12CCCC2	327999047	NJZMNCIKOVPOCN-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(O)C2CCCCC2)C1	380037341	IDIKVMKZVSTYAQ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(CN)([C@@H]2C=CCCCCC2)CC1	381094093	NTHGRTBSLSOZRO-OAHLLOKOSA-N	249.442	4.668	0	10	BJAE	
CCC(C)(C)[C@H](O)c1ccc2ccccc2c1C	384432465	VQEDKXSPVPCKSL-MRXNPFEDSA-N	242.362	4.618	0	10	BJAE	
C[C@H](CCNC(C)(C)C)CCC1=CCCCC1	384980575	QTCGVDJJMYKQGM-AWEZNQCLSA-N	237.431	4.681	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCC(C)(C)C1CCC1	385022854	INPNAEAQEUFKPT-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](CCC1=CCCCC1)NC	385862955	ZYLSTLRTMJJKOC-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CCCCC[C@@H](C)NCC(C)(C)CC(C)C	391180400	UKIDSAZEGHSLAM-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCC[C@@H](C)[C@H]1C	391206902	SNHCQFICMBDBSW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C1CCCC(CCN[C@@H]2CC3CCC2CC3)CC1	394520254	ADLRHEJXRFKONT-OFLPRAFFSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1[C@@H](O)C1(C)CCCCCC1	394682210	YSWHIYUMKXUCTL-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1cc(F)cc(Cl)c1	394980275	FSAJIYJIRJRQKJ-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CCc1cc(C)c2cc(C(F)F)sc2c1	396216584	HQKOXVODQYGTSD-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CC(C)Cc1ccc([C@@H](O)[C@H](C)C(C)(C)C)cc1	399115683	DFARLKARELUDCE-BBRMVZONSA-N	248.410	4.601	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@H]3C[C@H]2C3(C)C)c(C)c1	400682719	XIBLRUZVSHEVKA-LZWOXQAQSA-N	243.394	4.540	0	10	BJAE	
CC[C@](O)(CCC(C)(C)C1CC1)c1ccccc1	406108498	LVTVFFXAKILPEZ-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCCC(C)(C)CC	686303487	PVYLBUIVKZLIIN-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(CNc1cccc(C2CC2)c1)C(C)C	690079027	WMZOIKWNSKIXCH-UHFFFAOYSA-N	245.410	4.904	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1ccc(F)cc1C	691140299	QDKHVOSSMUDWDD-CJNGLKHVSA-N	249.373	4.905	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC3CCC2CC3)CCCCC1	691776298	ZJHZWDLOMYBHPK-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@H](N)CCC(C)(C)C)C1(C)C	699043478	RNLYIILJQRBFQZ-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCCC[C@@H]1C(C)(C)C	701046281	BXGYBZPRCNQZLE-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C(C)(C)CC	701087052	HKJUIKJARBWLCX-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@]2(N)CCCC23CCCCC3)C1	704446268	WXFIIQICDFLTTB-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1CC2CCC1CC2	704832390	RKISXYLLGHJWRH-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(N)(CCC(C)(C)C)CC(C)C	704894313	GVNGNEHANDOCDC-UHFFFAOYSA-N	227.436	4.602	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@@H]1CCCC12CC2	706252837	HQGXACISTAHOIE-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)NCC1CCCCCCC1	710277440	NVMXQMQHUWHDRR-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(=O)c1cscc1Cl)C(C)(C)C	710430310	APPKCKUMBZDFAH-MRVPVSSYSA-N	244.787	4.657	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)C(C)(C)C)[C@H]1CC1(C)C	710707542	PGZMNLDRYHLNQY-WWGRRREGSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(N[C@H]2CCCC23CCCC3)cs1	710730298	ZMXWNCHBRYDLMB-ZDUSSCGKSA-N	235.396	4.581	0	10	BJAE	
CC(C)C(C)(C)CNc1ccc(C2CC2)cc1	713156044	BDDPUYNQWZDJMY-UHFFFAOYSA-N	231.383	4.658	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H](C)CC(C)(C)CC	713268556	LTBRAUGGMRZKFM-ZBFHGGJFSA-N	247.426	4.800	0	10	BJAE	
CSc1ccc([C@@H](N)CCC(C)=C(C)C)cc1	718511884	GQOFTKBIYKVVGP-HNNXBMFYSA-N	249.423	4.545	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CNC2CC2)CC[C@@H](C)C1	718780316	PTUAJNJWIVYHMN-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC1CCC1)C(C)(CC)CC	721685233	UQADIVLQFBRQLI-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	722883391	ZLVZWWPAMBNXIR-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@@]1(C)CCCC[C@H]1C	1462315104	VBPWHTFZBCGIHL-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@@H](NC)c1cc(C)cs1	1900694955	AQKFEJZLRXMXRG-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)CCC(CC)CC	1900701082	KPJOJTWDVYLZGR-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CC[C@@](O)(CC)c1cccs1	1900704028	URQDOHPUEWCABG-AWEZNQCLSA-N	240.412	4.562	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC1CCCCCC1	1901061630	UQWUXYILIOPJHO-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CCc1cscc1NCCC(C)(C)C1CC1	1902382847	YZCCNUWLKOWJLV-UHFFFAOYSA-N	237.412	4.549	0	10	BJAE	
CCCCC(=O)c1cccc(SC(C)C)c1	1905169502	LUCLUBVPUGUMHH-UHFFFAOYSA-N	236.380	4.560	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCCC[C@@H]1C	1905364517	ZBGBDJNHOVXJIC-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1sc(C)cc1C	1905454725	UUVADZYOAAEGBT-OLZOCXBDSA-N	239.428	4.581	0	10	BJAE	
CC[C@H](C[C@H](O)CCC[C@@H]1C[C@H]1C)C(C)(C)C	1908525650	GULOADUAYRLODH-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)C1(C)CCCCCC1	1908552338	NKKFSZMHBZLUBA-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N(CCCCCC(C)C)C1	1909995785	AYWNAAOPYVKPAC-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)CC(=O)CCC=Cc1ccccc1	1912005017	OCNRFYKYXVVACE-UHFFFAOYSA-N	244.378	4.875	0	10	BJAE	
CC(C)=CC[C@@H]1CCCCCCCCC1=O	1913390796	SFRGYXOXJUNYNW-AWEZNQCLSA-N	222.372	4.662	0	10	BJAE	
CCN[C@@H]1CCCCCCCC[C@@H]1CC(C)C	1913425531	FMFGOCPHAVRFDV-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@](C)(N)CCCC1CCC1	1920190923	WLDJFOFYUUXDKM-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCCC[C@H](CC)CC1(CO)CC(C(C)C)C1	1921105772	SYZMYMPNUQRPLW-FHERZECASA-N	240.431	4.638	0	10	BJAE	
C[C@H](CC1CCCC1)NC[C@H]1CCCC12CCC2	1921636563	PBZYRQWDWTXBEB-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H](C)C1CCCC1	1924107572	HIPLERZGGINITD-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC(=O)c1c(C)sc(C)c1C	1926142884	BECUWWTZWHVEPV-UHFFFAOYSA-N	238.396	4.682	0	10	BJAE	
CCC(CC)CC(=O)CCC[C@H]1CC1(C)C	1926178937	VUIOLODODZQASE-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC1(C)CCCCC1	1935623703	UMCYTEWGVRSJTB-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@@H](N)CCC[C@H]1CC1(C)C	1935922217	WRDDHONCCYKYSR-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)NCCC1(C)CCCCC1	1937892395	YBTIDXPEJBGMNO-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)CC[C@H]1CCC[C@H](C)N1	1938316352	DKEXTLYMXXMUCP-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
Cc1cscc1N[C@@H]1CCCc2ccsc21	1938568416	CACDRPNAAROWTG-LLVKDONJSA-N	249.404	4.608	0	10	BJAE	
CC1(C[C@H](O)CC[C@H]2CC2(C)C)CCCCC1	1940856137	LZHPSQMSRWTFPP-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](CC(C)C)C(C)C	1941266287	CVRQCVGCEOUKMH-HZPDHXFCSA-N	241.463	4.719	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@@H]1CC=CCC1	1941793119	MFOAXVVAYCGYKQ-OAHLLOKOSA-N	238.415	4.556	0	10	BJAE	
CCCNC[C@H](CCC(C)(C)CC)C1CCC1	1942089157	FDSDRZGFBRIUTJ-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@@H](C)CC[C@H](N)c1ccccc1	1942662207	PJMSZVDOFFBMMJ-ZBFHGGJFSA-N	233.399	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@]1(N)CCCCCC1(C)C	1944833780	UMCSVBUFWDKVAG-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC[C@@H]1C[C@@H]2CCCC[C@@H]2C1=O	1946337362	MHMSXKCEOFYIKD-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C=CCCC1)C(C)C	1947586397	MLUMCPMOSJDZCW-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(O)CCCCCCCCC1	1947866334	MEEBUPKQGNRYLV-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C1CC1)CC(C)C	1948845688	FGFUPAAUOYRUMC-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CC(C)(C)C(C)C)C1	1949004386	YAYNELWPVSFVNP-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
O[C@@H](CCCCCCC1CC1)CC1CCCC1	1949869207	HCANKUNZEPKQPD-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)NC1CC2(CCC(C)(C)CC2)C1	1950550687	PGQJJCQIGWIRKA-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@H](C3)C2)CC1	1965905169	VDSBNMLZTMUFDE-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CCC3(CCC3)CC2)C1	1965979357	ZYJQJZNLPMWRRZ-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
C1=CC[C@@H](CNc2ccccc2C2CCC2)CC1	1966033255	ZUVLUPHQGPUUSK-CQSZACIVSA-N	241.378	4.722	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H](C)CC(C)C)CC1	1967707633	GQVOHEJZPHDTJL-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@@H]2CCCCC23CCC3)C1	1967790578	CRWSQTOWPVSYFZ-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NC2CC(C)(C)C(C)(C)C2)c(F)c1	1968326055	BHNDJAWOIJAQIX-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCC1CCC(CN(C)CCCC(C)C)CC1	1973417720	FHFGBIMHDASZTM-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
F[C@@H]1CC[C@H](CNc2ccccc2C2CCC2)C1	1973428588	GMOVFIZADJBLJR-GXTWGEPZSA-N	247.357	4.504	0	10	BJAE	
CCC[C@H](C)CC[C@@H](O)c1cccc(Cl)c1	1980679492	ASASZOKVQYJVIC-SMDDNHRTSA-N	240.774	4.590	0	10	BJAE	
CCC[C@@H](C)C1(O)CCC(CC)(CC)CC1	1981065415	JKNBUYHAJYSSAV-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)CNc1ccc(C)cc1	1981291541	GUXOPXINPMWUGM-UHFFFAOYSA-N	219.372	4.623	0	10	BJAE	
c1cc(NCc2ccc3sccc3c2)cs1	1983604352	OUXYDDKIFZOBAA-UHFFFAOYSA-N	245.372	4.575	0	10	BJAE	
CC(C)C(CCCC(=O)C(C)(C)C)C(C)C	1988294369	BOFMNPKIEQRDSA-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CCCCCC(=O)CC1CCC(CC)CC1	1989836100	BAFWHSWEHLSILG-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](Cn2ccc3c(Cl)cccc32)C1	1996229288	FDBRZSAJFQOCLX-NEPJUHHUSA-N	247.769	4.731	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)C[C@H](C)CC(C)(C)C)C1	1996237749	MKADGXBNVPNNQK-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
CC(C)=CCCN[C@@H](C)C1CCC(C)(C)CC1	1996560559	FRKUKXMNLVRWLU-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCC[C@H](CC)CC1	1997114606	FDCCJJWCJVHEJD-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCCCN[C@@]1(C)CCCC1(C)C	1997355075	ZMBNSPYNUQFRAP-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C(C)(C)CC)[C@@]1(C)CC=CCC1	1997544843	XHWLDIBVARLCRW-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]2CC)CC1	1998740652	GUVWRIAKOOYIEJ-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)CCNC[C@@H]1CCC=CCCC1	1999997529	YZTSHMBQGAIDPB-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(O[C@@H]2CCCC(C)(C)C2)cc1C	2000106962	RMVFCJQHSLLYCW-OAHLLOKOSA-N	232.367	4.651	0	10	BJAE	
CC(C)C1(C(=O)C[C@H](C)CC(C)(C)C)CCC1	2000192610	XDIWPTGNAZQWBZ-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CC1CCCCC1	2000294334	RLELCBGFBYSTOP-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@@H](C)[C@@H](C)CC	2000507409	GBPJLMJAPVXCIC-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@](C)(CCC1CCC1)CNCCC	2000521122	RDTOBWYVPNLAGS-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCCCN(CCCC)CCC[C@@H]1CC1(C)C	2000901460	YZSQVWMZKLZVLH-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
C[C@H](CN(C)[C@@H](C)CC(C)(C)C)CC(C)(C)C	2000909833	RWWVPDHXNDMGAE-KBPBESRZSA-N	241.463	4.815	0	10	BJAE	
CCC(C)(C)C(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2001495577	XMABVOYCSFQTNZ-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@H]1[C@H]2CCCCC[C@H]21	2002231049	NGKMLWZIMVRITA-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)CN(C)[C@H](C)C1CCC(C)(C)CC1	2002961204	ITDUTUFXKWVMEA-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1CCCC(C)(C)C1	2002980598	YMZLLLXWZDJIEZ-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C2CCCCCC2)C1	2003012842	CNAKESSDODUCTL-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CN[C@H](C)[C@@H]1CCCC(C)(C)C1	2003021021	PTLFZTLEAHKWME-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(F)(F)CCCNC1CCCCCCCC1	2003097245	FBGVBSRMTGCFCA-UHFFFAOYSA-N	247.373	4.514	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)CC1(C)CCCC1	2003174611	FIZPTTKKNQRLQX-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@]1(C)C=CCCC1	2003333445	CXKIWAGSMHESIR-INIZCTEOSA-N	236.399	4.908	0	10	BJAE	
CCC(CC)C[C@]1(CNC)CCCCC1(C)C	2005581935	CIKDZJGNRNGLCF-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@H]1CCC[C@H]1C	2006757015	AISOJRNUIGQPSI-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C2(C)CCC(C)(C)CC2)C1	2007681399	KMLKIERFNOQFGO-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)CCC1=O)C1CCC1	2009412215	WFJPOCBEXQWXOP-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)C1=CC[C@@H](C)CC1	2010614988	YFLHHMGDVBZYCI-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
C=C=CCC[C@H](C[C@@H](CC)C(C)(C)C)NCC	2010985055	KTHDPDZUBSJEHK-HUUCEWRRSA-N	237.431	4.548	0	10	BJAE	
CC/C=C\CN[C@H]1CCC[C@H](C(C)(C)C)CC1	2011037080	SVFJBGHRLQEEJV-BEWKBBBFSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)CN(C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2011177296	DLCIBXGCMXXGAZ-FICVDOATSA-N	239.447	4.569	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1C[C@@H]2CCC[C@H]2C1	2011952997	YDENXFHSXXYERG-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@H]1C[C@@H](NCC)CC2(CCC2)C1	2012067029	ZMFAKPPECXKUDP-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)NCC(C)(C)C(C)(C)C	2013267955	VMVWUGRSUQZWGH-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@H]1CCC[C@H](C)C1	2013311338	ICEBQZXSWCGWDQ-XHSDSOJGSA-N	239.447	4.712	0	10	BJAE	
CC(C)(CC[C@](C)(O)C1(C)CCCC1)C1CC1	2014328920	LXTRHUVXKJMNAS-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
C[C@H](N[C@H](C)C1CCCCC1)C1(C)CCCC1	2014339146	KQGUAOMKOPMKGE-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2015188659	SNTYWHALIPZJMM-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1cc2ccccc2s1	2015384803	YDCNIKLDMYQJIK-NSHDSACASA-N	246.375	4.766	0	10	BJAE	
CC(C)C(CC(=O)[C@H]1CCC(C)(C)C1)C(C)C	2015387065	HCWCBCQTVCZMRJ-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(CCC(=O)C[C@H]1CC1(C)C)C(C)C	2015389576	XSKSSKOIJICZPQ-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
CC(C)NCCC(C)(C)CC(C(C)C)C(C)C	2015408052	GPXZRBKBEYNGHL-UHFFFAOYSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C=C(CNC(C)(C)C)C(C)C)C(C)C	2016113587	YLAAMWUIXGGERV-CQSZACIVSA-N	239.447	4.639	0	10	BJAE	
CC1(C)CC[C@@](N)(CC2(C(C)(C)C)CCC2)C1	2017148749	RYDUBHAANXYJMA-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)C[C@H]1CC[C@H](CCC)CC1	2017650180	DMEMOOYNUOUNRV-FPCVCCKLSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)C[C@H](C)C(C)C)CC1	2017662018	HEDZQYBSOQWXKC-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](CC)(CO)C[C@H]1CC[C@H](C)CC1	2017727137	WTTSQPAANUPEEZ-JYJNAYRXSA-N	240.431	4.782	0	10	BJAE	
CCCC1CCC(CC(C)=CCCNC)CC1	2017732887	FVHCWHUVMBZQHZ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCN[C@@H](CC)CCC[C@H]1CC[C@H](CC)CC1	2017732991	GOUUSRPUCISVEW-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(C=C(C)CCCCN)CC1	2017738059	MSSRPNRTTWFHLO-UHFFFAOYSA-N	237.431	4.668	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@]12CCCC[C@H]1C2	2018588340	TYNVEHFSYKUYTE-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2(CC)CC2)CC1	2018921635	AYWTYBBFHHLWJD-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC=C(CC)[C@@H](NC)C1(CC(C)C)CCCC1	2020963527	BSVXRDDOBKSYSC-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC(=O)C[C@H]1C[C@@H]1C1CCCCC1	2022555221	VOVKBPWYNRNUOL-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCC1(C)CC(C(=O)CCCCC(C)(F)F)C1	2023342528	RONYNTVOBMLPAM-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC1(C[C@@H](N)c2ccc(C3CC3)cc2)CCCC1	2029067337	GGYWPQMWGFATRO-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccccc1C1CCC1	2029076655	BBJLOSQJIZMSTO-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CC1(C)[C@H]2C[C@H](C(=O)CCC3CCCCC3)C[C@H]21	2032599090	PODGBTIDYHJZLU-QKDCVEJESA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CNC2(C3CCCC3)CCC2)C1	2033048207	HWYFSTARTAGPKK-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@@H]2CC[C@H](C)C2)cc1	2033389558	SYXDFARDTBQNOU-CLROSIBMSA-N	245.410	4.636	0	10	BJAE	
CC(C)(CCC1(N)C[C@H]2CCCC[C@@H]2C1)C1CC1	2037157753	MOWGLVCUIMUBLQ-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C[C@@H](C)c1ccccc1	2037169951	ZFMDRPMXOAFOKA-WBVHZDCISA-N	245.410	4.644	0	10	BJAE	
CCCC1([C@@H](N)[C@H]2CCC3(CCCC3)C2)CCC1	2037703006	MQYCTBBNVCMBTD-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC2(CCCC2)C1	2037705525	VHNWWAXLAWVEKH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC1=CCCC1)c1ccccc1	2038130610	HRAIDBQNVYTSGV-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
CC1CC(CNC(C)(C)C)(C[C@H]2C=CCCC2)C1	2038873601	LXLGNRGYTMWOQP-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@@H]1CC=CCC1	2042019983	SVICMHNERMZLBF-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@@]1(C)CC=CCC1	2042070730	XYGYPBNVADIYSG-SJORKVTESA-N	244.378	4.590	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCC3(CCC3)C2)CC1	2043610542	YMYZTAIVUPISQT-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCNC[C@]1([C@@H]2CCCC(C)(C)C2)CC=CCC1	2045509531	ZKWHLVOBXDXOSE-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@H]1C[C@@H]1c1ccc(C(=O)CC2(C)CCCC2)o1	2045562748	YNSNXTHNOCHJIP-RYUDHWBXSA-N	246.350	4.556	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@H]1C(C)=CCC[C@H]1C	2045805799	ITCHIMHTUPUZGZ-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(CN)(C[C@H]2CC23CCCC3)CC1	2047010593	UPYLTOFLWPRLDO-PCKAHOCUSA-N	249.442	4.502	0	10	BJAE	
CN[C@@H](CCC1CCC1)C[C@@H]1CC12CCCCC2	2047020301	OQWSFRBGDNBQIN-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCNC[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047449400	YRDZBEGBZCLEHV-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC[C@@](N)(C1CCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2049225511	PJKFFICBNNZOTC-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC1CC2(CCC2)C1)[C@H]1CCCC(C)(C)C1	2049535638	GRRDAAKPISUTHQ-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
C1CCCCC(NC[C@]23CCCC[C@H]2C3)CCC1	2049669970	PDGGCXVVLWKEQD-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
C1CCCCC(NC[C@@H]2CC[C@@H]3C[C@H]3C2)CCC1	2049681751	PIAMJENSBARPSH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)C[C@@H]1CCCC2(CC2)C1	2049867443	UZSFRYISMOIZQE-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC[C@@]1(C)C=CCC1	2049985067	UYHKIDVVMJJFCK-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCCC[C@H]1CC1(C)C)c1ccco1	2050524049	AISSTZQMZVTFOE-KBPBESRZSA-N	249.398	4.537	0	10	BJAE	
CC[C@]1(C)CCCN(C[C@@H]2CCC=CCCC2)C1	2051392836	KDLWVNGQBDIQDG-IAGOWNOFSA-N	249.442	4.635	0	10	BJAE	
CN(C1CCC2(CCC2)CC1)[C@H]1CCC(C)(C)C1	2051646489	TXJUCKKMJZBDIT-HNNXBMFYSA-N	249.442	4.610	0	10	BJAE	
CN[C@H](c1coc(C)c1)C1(C)CCCCCCC1	2052474192	YOIXYGVTYHILAQ-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC(C)C(C)(C)NCc1ccccc1C(C)(C)C	2053866847	WKWHWEZVNNSXMI-UHFFFAOYSA-N	247.426	4.508	0	10	BJAE	
C[C@@H](NCC1(C2CC2)CCCC1)C1CCCCC1	2057604682	UXCHOOBAFSSVJE-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H]1CCCC2(CC2)C1	2059224552	BXWJJXHAJLZFAW-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1CC2(CCC2)C1	2059259633	QZNBXUKXWPONQY-WMHVBEDNSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC(N[C@@H]2CCCC23CCCCC3)C1	2059396035	UNYHVWNUGAGURL-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC=C(C2(N)CCC3(CCC3)CC2)CC1	2061117374	YMYBFWYSIPPYCY-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1C1=CCC(C)(C)CC1	2061148796	XUDWPCLZVUOVLJ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC[C@]12CCC[C@@H]1C2)C1(C)CCC1	2061574425	HIALKUWPJDTWDO-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(NCC2CC(=C3CCC3)C2)CCC1	2061642548	YYUMSPQTTMROIK-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)C1CC(=C2CC2)C1	2061648497	XJTSRLQFTQPETM-BLLLJJGKSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)C1CC(=C2CC2)C1	2061651498	YMDOQZVGTZYAFG-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC1CC(=C2CCC2)C1	2061698569	BCIWQFWDXVUFEZ-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC1CC(=C2CC2)C1	2061737403	QQVZEHUBMCNNCO-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H]1CCCCCC12CC2	2062018177	QWTNXNQKGFMFHD-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)[C@H]1CCCCCC12CC2	2062196438	LSBKQKQWYWPZPV-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC1C[C@@H]2CCC[C@H]2C1	2063489408	YNAQYPKHFGARAO-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@]1(CN)CC12CCC(CC1)CC2	2065333879	XVEYVOAOMZNSTI-BDVYOWHSSA-N	249.442	4.502	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](N[C@@H]2CCCCCC23CC3)C1	2066627649	OROMDZPQZQYMSL-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)NC[C@]1(CC2CC=CC2)CCC1(C)C	2068243242	GRZQOAOAHDUPNO-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC1(CC2CC2)CCC1	2069496391	NLIUAVHFINDVRI-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)C1(CC(C)C)CC1	2069514635	TXJVMYSIXLCTDS-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2070959592	QKMCVMJADNHKMG-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)C[C@@]23CCC[C@H]2C3)CC1	2070964456	VVDACOMDQXOJAV-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)CC[C@@H]2C[C@H]2C)cc1	2072081597	KWRCHZQJUXXCQD-NSNWQYSKSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)C12CCC(CC1)C2(C)C	2072421935	KCJHQTLOOROICQ-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@@H]2CCC23CCCCC3)CC1	2072660062	ARZPPQQRQZAANY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CC(C)(C)c1ccccc1	2072774583	GXSAYUZAWGPTPW-KRWDZBQOSA-N	248.410	4.542	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CC[C@H](C)CC2)cc1F	2072875347	MXHDJFXJXBPOQE-AULYBMBSSA-N	248.341	4.533	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H](C)c1ccccc1	2073340066	JVNUFFKWFCLIBG-WBVHZDCISA-N	247.426	4.868	0	10	BJAE	
CCCC1(CC(=O)C23CCC(CC2)C3(C)C)CC1	2074596041	XAGVOKUEBLHCBG-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H]2c3ccccc3NC[C@@H]2C)CC1	2074637676	XURABROFFYKQBR-DZGCQCFKSA-N	243.394	4.802	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@H]2CCCC23CC3)CC1	2074643969	LSZWLWZYTASFTD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@H](N2CCC[C@@H]3CCCC[C@@H]32)CCCCC1	2074810482	PORFMBWUJNQKOY-ULQDDVLXSA-N	247.426	4.530	0	10	BJAE	
C1=C[C@H](N2CCCCCCCCC2)CCCCC1	2074810964	SNRBIHBRWCTSIP-KRWDZBQOSA-N	249.442	4.922	0	10	BJAE	
C[C@H](C[C@H]1CCCNC12CCC2)C1CCCCC1	2076646002	ULNWXQGWIZVIPI-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCC1CCC1)[C@H]1C[C@H]1C1CCCCC1	2079436132	SNYSYNJXPFPIBG-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC1(NC[C@H]2C[C@H]2C2CCCCC2)CCCCC1	2079639297	HWGDCAGGICTNET-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](NCC)[C@]1(C)C=CCCC1	2079641074	FMEPGQVQALGPLE-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C)c(CNCCCCC(C)C)c1	2082905644	MRVIKSHWICKCJF-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
CC(C)(C)C[C@H](O)CCCCCCC1CC1	2210526669	HUZAHZGRBRWUJD-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CC[C@H]([C@H](N)CCCCCCC2CC2)C1	2213573855	MIDWLMVKQPOXOG-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(Cl)ccc1CC=Cc1ccccc1	2213822637	KGGVBCHEKPPCEJ-UHFFFAOYSA-N	242.749	4.904	0	10	BJAE	
CCCC[C@H](CCC[C@H]1C[C@@H]1CC)NCCC	2215253726	RSBQQOVLFZWRRG-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CC)C(CC)CC	2215266824	SKFTWWOQTXMGEF-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CC1(C)CC(C)(C)C1)C1CCCC1	2215386400	PJOMLJGQNNVYPK-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](C)(CNC(C)C)CC1(C)CC(C)(C)C1	2215392086	BARDIWZWXFRZMA-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@]1(N)CCCCCCCC1CC1	2216858422	CVUOQZRKDWNWMH-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)[C@@](C)(N)CCCCCCCC1CC1	2216860172	MLYOLZQGUPTRMI-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
C[C@H](C1CC1)[C@H](O)CCCCCCCC1CC1	2216882689	BMLSKLVZYBWCLN-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218330120	FDQRJJXFCVKKOQ-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
c1cc(C2CC2)ccc1NC1CC(CC2CC2)C1	2218478425	OQCNPAQHEGCHDU-UHFFFAOYSA-N	241.378	4.555	0	10	BJAE	
N[C@@H](CCCCC1CC1)[C@@H]1C[C@H]1C1CCCCC1	2220043658	BAKBIPOEBCVKAQ-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H]1CNC1CCC2(CCCCC2)CC1	2220606713	MYBZIPHAXIGUKN-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC2(C)CC3(CCC3)C2)[C@H](C)C1	2221038095	FHQNVEVEKIFDMZ-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CC2CC(C(C)C)C2)CC1	2221621072	CPRSFTXSNZAGCH-BACDZXNISA-N	249.442	4.523	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC(C2CC2)C2CC2)CC1	2221642032	AUDPKMHUDABSKS-KRWDZBQOSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1C[C@@H]1C(=O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222950504	XNSVDKCSGYGOFY-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
NC(CCCCCCCC1CC1)(C1CC1)C1CC1	2223153839	FCBRICMXVLBXCG-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(Cl)c(CC2=CCCCC2)cc1F	2243237385	LHJRSGNQSIGIRB-UHFFFAOYSA-N	238.733	4.830	0	10	BJAE	
CCC[C@H](CC)N(C)CC[C@@H]1CCC[C@@H](C)C1	2246663623	GAMJWKRCQXQHRJ-PMPSAXMXSA-N	239.447	4.713	0	10	BJAE	
O[C@@H]1CCCCCCC[C@H]1CC1=CCCCC1	2247496727	KJBDRFQPRFTIPQ-JKSUJKDBSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](O)CCC(C)(C)C	2248810388	YSIGLBACUCBOAJ-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@]12CCC[C@H]1CC2	2251211880	ODHOWKGCGTZFGN-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@](C)(O)C(C)(C)C)C1	2251583236	UDWJGEAFOUZDAH-SEEARECTSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)N[C@H](CCC(F)F)C(C)C	2253254337	ZXHLLVVSHNTRJT-QWHCGFSZSA-N	249.389	4.615	0	10	BJAE	
CCC1(CNCC[C@H]2CCCCC23CC3)CCC1	2253890847	MPPVXXRTXFVWMO-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@]2(C)C=CCCC2)C1	2253924120	RNYLSVPRWBRFSC-BFYDXBDKSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2CC3(CCCC3)C2)C1	2254114127	LNGQCMRZDJVOPQ-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc([C@H](N)CCCC[C@@H]2C[C@H]2C)c1C	2254591214	LUZYBPMJUHIZGU-FRFSOERESA-N	245.410	4.520	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C[C@H]2CCC23CCC3)CC1	2255015186	RLUDUYBXYJNWPB-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCC1CC1)CC[C@@H]1CCCC12CC2	2255251858	SRDUKTVDEMDYTB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)CC[C@@H]1CCCC12CC2	2255262409	WFWCGEXSYSPVRL-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@@H]1CCC2(CCC2)C1	2257316526	RPCLGBOXKLVTTP-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)cc(NCCCCC[C@@H]2C[C@@H]2C)c1	2257322098	LIWIVXUPYQEDKE-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCN[C@H]2CC[C@@H]12	2259616348	SWAJZVPXFZFPIF-XIRDDKMYSA-N	249.442	4.537	0	10	BJAE	
N[C@H](C1=CCCCCCC1)[C@@]12CCCC[C@H]1CC2	2260491944	QGQNJWOMFJYHDO-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@]12CCCC[C@H]1CC2	2260570481	PMVZTHXQHOQXSJ-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(NC[C@]23CCCC[C@@H]2CC3)ccc1F	2260619683	KBWLFADFPFJWSM-CZUORRHYSA-N	247.357	4.516	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@]23CCC[C@H]2CC3)CC1	2260635617	WWODNOLMNVWQFG-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
Oc1cccc(-c2cccc(C3CCCC3)c2)c1	2260737644	KXWFMNISDDBGTB-UHFFFAOYSA-N	238.330	4.717	0	10	BJAE	
CC(C)(C)CC1CC([C@H](N)CC2=CCCCC2)C1	2261198218	OBPLPMCLQPTMBM-UYSNPLJNSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CCNc3ccc(F)cc32)C1	2261340845	YBKAQVCDXBCIAL-AGIUHOORSA-N	247.357	4.551	0	10	BJAE	
CC1=CC[C@@H](N[C@@H]2CC(C)(C)CCC2(C)C)CC1	2261399524	BTLLXJHYSVGKSJ-HUUCEWRRSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(O)CCCC(C)C)C1	2300470856	DNCOGZZEGUVQPV-OWCLPIDISA-N	240.431	4.780	0	10	BJAE	
CCC(C)=CC[C@H](O)[C@H]1CCC[C@H](CC)CC1	2300875345	UINUNVOCVZAKHG-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CC(=CC[C@@H](O)CC1(C)CC1)CCCC(C)C	2300931318	ITTBRMMQRUTMKB-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)C1CCC(C)(C)CC1	2301954492	ABGYDNATMRKIBG-CHWSQXEVSA-N	238.415	4.700	0	10	BJAE	
Cc1ccc(CCCC2=CCCCC2)c(F)c1	2302346100	BLBWWOOFZCLSRG-UHFFFAOYSA-N	232.342	4.957	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)C[C@@H]1CCC(C)(C)C1	2302675673	NODQTOQBKZLFCD-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C[C@H]1CCC(C)(C)C1	2302900374	DFIUYTBZCUMYLV-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CCC(C)=C(C)C1	2303593327	VXBHMINMALGACW-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CCC1(NCC[C@H]2CCC(C)(C)C2)CCCC1	2304362405	UPFBUBZETMYBQE-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CCCC[C@@H](N)C(C)(C)C)C1	2304447651	QCVIWOKIBNGDRR-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H]1c1nc(C2CC3(CC3)C2)cs1	2304457620	HWKTXTNKBCKNIJ-PWSUYJOCSA-N	247.407	4.704	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@@H]2CCCC3(CC3)C2)n1	2307695204	PNEYJKXMCYRBLB-UTUOFQBUSA-N	247.407	4.704	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1cccc(C)c1C	2307893224	HNKKQUJGCVLTGX-HOCLYGCPSA-N	233.399	4.520	0	10	BJAE	
CCCN[C@@H](CCC1CC1)CC[C@@]12CCC[C@@H]1C2	2310374785	FNKMOAKJTKXORI-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NCC[C@@H]1C[C@H]1CC)c1ccccc1	2310961454	WGKFFQPCRXXEBK-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)[C@@]12CCC[C@@H]1C2	2311197582	GFCZZXQNJIBZNV-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(C(=O)[C@@H]2CC[C@H](CC)C2)ccc1C	2314636434	NXENHQGNULKTHT-DZGCQCFKSA-N	244.378	4.566	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316692993	JYRWSSLXLNSHBC-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316738823	LMQCCEJZOCSAEK-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
C[C@@](N)(CCC1CC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316885295	PZAPOPVDQSNSBW-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317126563	IFZIIIKFVLHCAJ-QBPKDAKJSA-N	249.442	4.536	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Oc1cccc2ccccc12	2317830452	HTUURDDITAINHL-ZIAGYGMSSA-N	242.362	4.899	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1[C@H]2CCCC[C@H]21	2317936687	POJKDLZTJWQOIK-FVQHAEBGSA-N	246.394	4.662	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1CC[C@@H]2C[C@H]2C1	2318581474	XAXAHTJJGVUHOV-OAGGEKHMSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H]1CCC[C@H](CCCC2=CCCCC2)C1	2318593462	VGDRXKDPZSRWMQ-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](CCCCC2CC2)NC)CC1	2318876781	OYHKIZCHVJBVBS-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC1[C@@H]2CCCCC[C@@H]12	2318939251	RPDZLZWAICRMPC-OCVGTWLNSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CCC(C)(C)C2)c1F	2319114256	FEQUDEFRRDUSGG-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H]2CCC(C)(C)C2)c(C)c1	2319326570	PEIPZVHDUMYSNJ-GDBMZVCRSA-N	245.410	4.520	0	10	BJAE	
C[C@H](C(=O)CC[C@H]1CC[C@H]1C1CC1)C1CCCC1	2319684076	XFCXUUOSYPBQAF-MAZHCROVSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)[C@]2(C)CC=CCC2)CC1	2320326653	GZPUSIZWQXDFAZ-GVDBMIGSSA-N	247.426	4.587	0	10	BJAE	
CCN[C@@H]1CC[C@H](C[C@@H]2CCC(C)=C(C)C2)[C@H]1C	2320388040	MNGOHEACWILIPX-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](CCC(C)C)C2CC2)CC1	2320414244	XBSBIKKJZLQZRT-IAGOWNOFSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H]1c2ccccc2NC[C@H]1C	2320458142	ZSLBMOLXCPEQOB-TUVASFSCSA-N	243.394	4.658	0	10	BJAE	
CCCCCCC(=O)Cc1cccc(C(C)C)c1	2320644961	JUMCOVSBTLSKLK-UHFFFAOYSA-N	246.394	4.892	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2C[C@H]2C2CCC2)C1	2321643373	WXLJEERUSOKPHQ-AEGPPILISA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cc(C)ccc1C(C)C	2327698039	XIFZIBUCXHEYSX-YOEHRIQHSA-N	247.426	4.945	0	10	BJAE	
C1=C(CCNC2CCCCCCC2)CCCC1	21794762	GBXGHBPAUBECRT-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
CC[C@@H](C)Nc1ccc2oc3ccccc3c2c1	21811864	VTYAFCRJHAGNCD-LLVKDONJSA-N	239.318	4.796	0	10	BJAE	
CSc1ccccc1N[C@H](C)c1ccccc1	34981109	BDXFMTQSAHPKCK-GFCCVEGCSA-N	243.375	4.582	0	10	BJAE	
CC[C@@H](C)c1nc2ccccc2n1[C@H](C)CC	40390003	BXKATVFCASZEGQ-VXGBXAGGSA-N	230.355	4.521	0	10	BJAE	
CC(C)c1ccc(-c2ccc(Cl)nc2)cc1	41258377	NEEFNLDSCDXKBS-UHFFFAOYSA-N	231.726	4.525	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)[C@@H](C)CC[C@H]2C	49829127	FJZIIKIBMSOORR-ZJUUUORDSA-N	237.774	4.859	0	10	BJAE	
CCCC[C@@](CC)(CNC)C[C@H](C)CCC	71127891	XBUOATNKYGDVOE-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
CCCC1CCC(N)([C@@H]2CCC[C@H](C)C2)CC1	71154175	DBZZNCCRJAELRI-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)C[C@H](CC)CCCC	82679756	NELQQLTULNJDFZ-CABCVRRESA-N	228.420	4.924	0	10	BJAE	
CCC1CCC([C@@H](O)c2ccc(C)cc2C)CC1	85077687	DDHJBPQHWPAROO-VMBOVVBDSA-N	246.394	4.553	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)C1CCCCCCC1	86579491	WXILHMVNKQIQMW-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H](CC)Nc1nc2ccc(C)cc2s1	91938293	UDSSPTXLOVNOKZ-NSHDSACASA-N	248.395	4.595	0	10	BJAE	
CCC[C@@H](C)CNC1CC(C)(C)CC(C)(C)C1	125470839	IOVACTFUCKKLGG-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](C)c1cc(C)cc(C)c1	132614698	HOICIIAIHNMYTQ-CABCVRRESA-N	247.426	4.779	0	10	BJAE	
Cc1ccsc1[C@H](C)NCCCCC(C)C	147333970	GODUJNJLTODMHK-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCC(CC)C[C@@]1(N)CC[C@H](C)c2ccccc21	148009517	OCAFNAXHQXQWIT-GUYCJALGSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@H](C)c1ccccc1	159804062	OGMDLCZXUHZLCK-IIAWOOMASA-N	233.399	4.552	0	10	BJAE	
CCC[C@H](C)C[C@@H](CNC(C)(C)C)C(C)(C)C	162404530	XMSAYLLNLMAQBY-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](c1cccc2ccsc12)[C@H](C)CC	163271317	ZHPICGILKNFSGM-BXUZGUMPSA-N	247.407	4.598	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cc(C)c(Cl)cc1C	164266667	GPQZEWWBZBICLV-SECBINFHSA-N	238.758	4.576	0	10	BJAE	
CC(C)(C)C[C@H](O)c1ccc(C(C)(C)C)s1	165664195	QFAAODYLPXIPTC-JTQLQIEISA-N	240.412	4.515	0	10	BJAE	
Cc1cc(O)ccc1-c1cccc(CC(C)C)c1	166351953	OPJKEWPSDOPETH-UHFFFAOYSA-N	240.346	4.566	0	10	BJAE	
CCCCCCn1ccc2ccc(C)cc21	166376776	ZGEHPWDEQGJPNR-UHFFFAOYSA-N	215.340	4.530	0	10	BJAE	
CCCc1ccc([C@@H](C)[C@H](CCC)NCC)cc1	212568327	QUFJKVMLMMUVFM-PBHICJAKSA-N	247.426	4.521	0	10	BJAE	
CC(C)CCCCN[C@H]1CCCC[C@@H]1C(C)C	214646211	IKCPEGUVMVZISP-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1c(C)cccc1C	215913983	CGGWRSUDRGMEOA-JKSUJKDBSA-N	248.410	4.943	0	10	BJAE	
CSc1ccccc1N[C@@H]1CC[C@@H](C)C[C@@H]1C	221823997	ZYZGFIZQFWIEAB-FRRDWIJNSA-N	249.423	4.645	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCC[C@@H](C(C)C)CC1	226533908	NJSILZUVEANKCL-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H](N[C@H]1CC[C@@H](C)C1)c1ccccc1	227192909	GCWCGLRZHMHQDM-HYVNUMGLSA-N	245.410	4.552	0	10	BJAE	
CC(C)C1CC(Nc2ccc3sccc3c2)C1	232551884	DCDGBEBVQLGYJP-UHFFFAOYSA-N	245.391	4.748	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1ccc(C)cc1Cl	233272550	ONZRZSGUTKZWNI-YGRLFVJLSA-N	240.774	4.508	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC2(CC)CC2)CC1	233307266	SJJAGKIFCFMOKY-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)c1c[nH]c2ccc(C)cc12	238255165	SUOJDRBVEDFXEI-GFCCVEGCSA-N	215.340	4.770	0	10	BJAE	
COc1ccc(C(C)C)cc1C(F)(F)C(C)C	258988601	KTVNVZKIYUCPGB-UHFFFAOYSA-N	242.309	4.566	0	10	BJAE	
Cc1nc(-c2ccc(C(C)C)cc2)sc1S	259457503	YGBQYYNBKAZCBN-UHFFFAOYSA-N	249.404	4.531	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1CCCCCC1	300975306	SRDLWOWITVUUFO-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CCC[C@@H](C)CC(C)C)C1CC1	305917500	HAVNCYLEXDYSNF-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)c1ccc(C)cc1C	308048118	FCUWMCGFRWPYOE-NVXWUHKLSA-N	247.426	4.766	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NC)c1ccc(C)cc1	308051236	HLOFNTBZSYZVFX-SJORKVTESA-N	247.426	4.718	0	10	BJAE	
CCC(C)(C)c1csc([C@H]2CC[C@H](C)C2)n1	309236496	LQQOCWRXBRVZKT-QWRGUYRKSA-N	237.412	4.734	0	10	BJAE	
CC1CCC(COc2ccc(Cl)cc2)CC1	309405526	FHCRQSCBPMPFQL-UHFFFAOYSA-N	238.758	4.545	0	10	BJAE	
C1CCC(CC[C@@H]2CCC[C@@H]2CNC2CC2)CC1	310630000	IIVLQFPMLSUKBH-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc2ccccc2c1F	310843315	KZIAWJROSXPMSH-NSHDSACASA-N	244.309	4.598	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)C)CCCC[C@@H]1C	317502939	MAVYYSNVXBTXNP-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@]1(CCC(C)C)CCCC[C@H]1C	319208928	RNIIEGVYNCTLPR-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H](C)C2CCCCC2)c1	381044912	OFARUBSHKMYMHN-OAHLLOKOSA-N	245.410	4.932	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)CC(C)(C)C	383150861	OJMNVLGMXFIBDR-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)CC(=O)CCCCCC(C)C	383155315	OZUHXKQGUAOEMP-CYBMUJFWSA-N	212.377	4.598	0	10	BJAE	
CC(C)(C)C[C@](C)(O)c1cccc(C2CCC2)c1	384526575	BXULISFBPLBOGJ-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
C[C@H]1C[C@](O)(CCCC(C)(C)C)c2ccccc21	386597121	KKZQMCVXUMEDEJ-SUMWQHHRSA-N	246.394	4.598	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@@H]1CCCCC1(C)C	401035557	OIXSZADQLMMLKO-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(-c2cccc([C@@H](C)O)c2)cc1	404832041	IYRMEZLDRGLTKM-CYBMUJFWSA-N	240.346	4.530	0	10	BJAE	
CC[C@@H](N[C@H]1CCC12CCCC2)c1cccs1	474027668	BPGRCHXWBOVZID-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)CC1CCCC1	689866067	CJWHKLWCWBINNH-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H](C)[C@H]1C[C@@H]1C	690207401	QBOTZZKQTWLUEM-ZENOOKHLSA-N	245.410	4.576	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(O)CCCCC[C@@H]1C(C)C	691129087	SLAYYFCWXGPXQF-ARFHVFGLSA-N	240.431	4.636	0	10	BJAE	
C1CCC(CCCNCC2CC3(CCC3)C2)CC1	691945860	CXGDYULFCKANSM-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCc1cccc(C(C)(C)C)c1C(F)(F)F	694937924	UQCJLGQFMRNPJI-UHFFFAOYSA-N	230.273	4.565	0	10	BJAE	
CCCC(CCC)NCC1CCC2(CC1)CC2	695685598	ZGDWDDANCXJPHD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@H](NC2CCC(C3CCC3)CC2)CC1	695974522	JDWPQBZNBQMJQG-BTJUWIDLSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@H](CCC)CCC(C)(C)CC	696805380	IHOZFDVFCBLDCC-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCCCC1(C)C	696808685	ZDWPHWKVONCGRS-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1N	701150703	YPYIPGXLSJFGBG-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H]1[C@H]2CCCCCC[C@H]2C12CCCCCC2	701805882	VLHUPQURDUJCQC-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCC2CCCC2)CCCC12CCCCC2	704446546	YPMWAWPMSRWPJH-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
C[C@@](N)(CCC1CCCCC1)C1CCCCC1	704844945	HHPSCYAYIFRLOO-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC(N)(CC(C)C)CC1(C)CCCC1	704895577	LCWBRGLWUCAPBE-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)(C)C)C1(CC)CC1	709127013	KLDAGGWDFBHDOX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCNC([C@@H](C)CC(C)C)[C@@H](C)CC(C)C	709178368	ROQLIHHSBFUTEI-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(O)CC(C)(C)C[C@H]1C	709260817	PPXYVAFBQJROMI-XJKCOSOUSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(NCC/C=C\c2ccccc2)cs1	710688239	RKLZSMWDXHGRFY-UITAMQMPSA-N	243.375	4.572	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC(C)(C)C)NCC	713216940	NQVTZPDWFYXNBM-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC(C)C(C)(C)CC(=O)CC1CCCCC1	713350617	IRFZCDSQGNOMCS-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C=C/C=C/CCc1ccc(F)cc1C(F)(F)F	713676268	YHOLVBNZJDFXBI-ONEGZZNKSA-N	244.231	4.519	0	10	BJAE	
C=C/C=C\CC[C@]1(CNC(C)(C)C)CC[C@H](C)C1	713737752	KMAXZPOVODLRLT-OKIREYQVSA-N	249.442	4.703	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC[C@H]2C[C@@H]2C2CC2)CC1	714893684	HOLRANDVVQWODF-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C1C[C@@H]2C[C@H]2C1	718635678	URYNALWPKATWIW-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)N[C@H](CC)CC1CCCCC1	720953753	HYXGJVMFWBIJSA-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CCC(C)(C)c1csc(C(C)(CC)CC)n1	721694537	ZWKZWVZOPMBQDP-UHFFFAOYSA-N	239.428	4.908	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H]1C[C@@H]1CC)NCC	723093232	FGSNXCKIQOBWRE-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CC(=CCCNC(C)C)CCCC(C)(C)C	1890093382	HQPCICQTZVZMPB-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)CCC(=O)C1(CC)CCCC1	1900695160	FKQKBDDKUCRYMJ-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CCC(CC)CC	1900698130	SQNWIFVKIODQSK-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H](C)CC(C)(C)C	1900704104	VDLBYIBUHCRVDZ-OCCSQVGLSA-N	227.436	4.602	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H](C)[C@H](C)C(C)C	1901709385	NQCJEJTURGQLMM-ZYHUDNBSSA-N	239.790	4.741	0	10	BJAE	
CCCC[C@H](C[C@H](CC)CCC)NCCC	1905434917	NVJFJJFDXKRMCK-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCCCCCN[C@@H]1C[C@H]1C1CCCCCC1	1910685640	MLFBXMQSJGOLNJ-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC=CCCN[C@H](C)c1ccc(CCCC)cc1	1912111109	RQZCDXMJEGAYNG-OAHLLOKOSA-N	245.410	4.646	0	10	BJAE	
O[C@H]1CCCCCCCC[C@@H]1CCCC(F)F	1913592718	AKMMCADKMQCHLP-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CCCCCC2CC2)[C@H](C)C1	1916058343	NAKLGZWCCACCMD-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC1(C)CCCCC1	1919969087	GRMVARFBFKNXLA-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1CC(CCC)C1	1921293820	FWFOBZFGLWLEAP-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC12CCC2)C1CCCC1	1921489692	KVVIBPWVTIOPFE-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](C(=O)CCCC(C)(C)C)C1CCCCC1	1924102383	ZIMUSAPEIBEVGZ-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@H]1[C@H](CN)CCCC12CCC2	1924836332	HFJBCZNHNZMHNL-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CSCc1cccc(C[C@@H]2C=CCCCC2)c1	1925822751	APSNEIVVLBNVDZ-CQSZACIVSA-N	246.419	4.839	0	10	BJAE	
CC(C)(C)NC[C@@H]1CC[C@H]1C[C@@H]1C=CCCCC1	1925889340	ARUDSBSTJWXAFC-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC(=O)c1ccc(C2(C)CC2)cc1	1926178463	SYOZKHQVVWVBGI-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
FC(F)c1cscc1C[C@@H]1C=CCCC1	1932600229	AWVPDNIHPZGFFR-SECBINFHSA-N	228.307	4.585	0	10	BJAE	
CC1(C)CC[C@@H](N)[C@@H](CC2(C)CCCCC2)C1	1940410565	RZNJDPZQXDPOIQ-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@@H](N)CC1(C)CCCCC1)C(C)(C)C	1940410571	SCSCWIHBURMOOR-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@](O)(CCCC1(C)CC1)C1CCCC1	1940883800	WCMJRSMCHCKKLL-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CC1(C)CCC1)NCC	1941263010	LMYREMYYICUKFY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C(=O)CC(C)(C)C(F)F)C(C)C	1941605792	FFTKCULWYKCINO-NSHDSACASA-N	248.357	4.555	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@@H](C)CC	1941819126	SAKKBBWGCVBAJY-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944202062	HBVSTKQWPRCWTE-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC(=O)CC1C[C@@H](C)C[C@H](C)C1	1944206356	XVTCVBGNVRHQSX-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)C(C)(C)C1CCCC1	1944639200	CDDRZRGUUCHDEG-UKRRQHHQSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNc1ccc2sccc2c1	1944846103	MNPYFJYUKLLCRU-DGCLKSJQSA-N	245.391	4.749	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H]1CCC(C)(C)C1	1945581323	FEYPMFFEPSPUPW-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc(F)cc1C	1947455868	CUTJDPWDXXEIJO-SWLSCSKDSA-N	235.346	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(N)CC1(C)CCCCC1	1947460712	HHWUVEOJDHZVNN-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@H]1CCC	1947514534	GDQXKAMCQQEODK-ARFHVFGLSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(O)CCCCCCC2)C1	1947546994	OGFNIGWMXYQBPR-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)NCC(C)(C)C(C)(C)C	1948331191	DVMIZAUVVQBYKB-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)C1(C)CCCCCC1	1948979267	JNNAFJRSAGNJIW-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@H]1CCC(C)(C)C1	1949435843	VADVAZFMZMHSCX-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)CC1(O)C[C@H]2CCC[C@@H]2C1	1950305126	SYMBZHCVKYWNMM-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
C[C@@]12CCC[C@@H]1N(CCCCCC1CC1)CCC2	1966613043	LDSDQBJSZJEOLG-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CCCC[C@@H]1NC1CC(C2CCCCC2)C1	1967792569	FGMNSTQMHIYHIJ-LYAPFXNSSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CCN[C@@H]2CCC[C@H]2C2CC2)CC1	1967852973	ORGVRIQWJZKTQC-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
c1cc(NCC2CC3(CC3)C2)cc(C2CCC2)c1	1971534436	PYJZYOMDNJKDKW-UHFFFAOYSA-N	241.378	4.556	0	10	BJAE	
C[C@H](N[C@H](C)CC1CCCC1)C1CC2(CCC2)C1	1974006222	ZQKMWTQQBHYCLB-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cc(C(F)F)cs1	1977077759	CPPMJIZXMGLCKU-SECBINFHSA-N	247.354	4.512	0	10	BJAE	
CC[C@H](C(=O)c1cc(Cl)ccc1C)C(C)C	1993491905	RXLQDJZIPCIUSB-LBPRGKRZSA-N	238.758	4.513	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1(CC)CCCCC1	1995739072	UIDOOEIHZJPSTK-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@@H](C)CCC(C)C	1998030395	QCQKOYFILGXQGN-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)CCC1CCC1	1998047636	NGKYOOVOZUQLQN-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@@H]1CCC=CCCC1	1999992431	VIHJCZPKPGLJPY-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CCCC[C@](C)(CN)C[C@H](C)C1CCCCC1	2000483348	LUASZALVRMJMTK-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@H]1CC1(C)C	2000500812	YLHKCUUNEZIZHI-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@H]1CC12CCCCC2	2001222721	ZJOSREIOTOSTFO-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1[C@H](C)CC[C@H]1CCCCCC(C)C	2002877152	OXWRJFBTZPQZDH-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@H](C)[C@H](CC)NCC)CC1	2002922416	YLDDYDXDHCUXSU-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@@](C)(N)C1CCC(C)(C)CC1	2002969320	XUNGYVVMINKOAQ-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
C[C@H](NC1CCCCCCCC1)[C@H]1CC1(C)C	2003097859	INMIKZWQAGZEDI-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H]1CCCCCCC1=O	2003116594	JVERXMKCNCSPJG-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](C)(CN)C[C@H]1CCCC2(CC2)C1	2003212827	ZUQGMBOMGYXWOZ-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CC[C@@]1(CNC(C)(C)C)CCCCC12CCC2	2005560897	HKAWGNUNDWPONO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1(C2CC2)CCCC1	2008477827	PXKBNGWJJDVEJV-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2C=CCCC2)CC1	2009403430	BYTLQLBPEFNQPQ-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2C=CCCC2)CC1	2009403431	BYTLQLBPEFNQPQ-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CC=CCCC[C@H](CC1(C)CCCC1)NCC	2009616787	LZGRRKIBOFYLRB-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H](C)C(C)(C)C	2009630896	YHQDPLUWUKDFPM-LPXAQJHASA-N	239.447	4.783	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](CC)CC1)C(C)(C)C	2010711779	DARQYFMUGDNYEZ-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@@](C)(N)C1=CC[C@@H](C(C)(C)C)CC1	2010730080	UWTQTULYINMIDX-WOSRLPQWSA-N	237.431	4.523	0	10	BJAE	
Cc1ccc(NCC[C@]23CCC[C@@H]2C3)cc1Cl	2010995830	TVHRORXPOTXPBR-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](O)(CC)CCC(C)C	2013271055	ODUZQXVHERHXSB-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](O)(C[C@H](C)C(C)C)C1	2015283587	GBOCDTVILNXUJK-JYJNAYRXSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC1(CCC)CCC1	2015640769	WDUFAGYXEOFJPA-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CC(C)CC1([C@@H](N)CC2(C)CCCCC2)CC1	2015760057	FGPKALVNSTTZJS-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@@H](O)C2CCCC2)CC1	2017649666	YJKSXMDCTXOBSO-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CC[C@H](C)C(=O)C2)CC1	2017775607	DRWAECSTDMZNCO-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC1(F)CCCC1	2018179431	IWURUDOCOOYEBD-AWEZNQCLSA-N	243.410	4.559	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC1(C(C)C)CC1	2019190633	MTFYABGRSDGYKH-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CC(C)C[C@H](C)N(C)[C@@H](C)C1(C)CCCCC1	2019304169	RTEGCNSSTVBSMB-GJZGRUSLSA-N	239.447	4.712	0	10	BJAE	
CCN[C@@H]1[C@@H](CCC(C)(C)C)CCCC1(C)C	2020361004	LTIVGRXXEDWXCK-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCC(C)(C)[C@@H]1NCC	2020364502	RABSEFRNDBEEDW-IPKOWEFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1cc(Cl)c2cccc(C3CC3)c2n1	2021026950	KRDWYTJIOZXHKD-UHFFFAOYSA-N	245.753	4.889	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)CCCC2(C)C)C1	2024096521	VKMPQNRUOANPIC-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCNCC[C@@H](C)C[C@H]1CCCC(C)(C)C1	2024096897	WNUJSQURCKFJFX-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H]2CCCC(C)(C)C2)N1	2024102913	WYCWLANTDWTTFH-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C)[C@@H]1CCCC(C)(C)C	2024510415	YACNCJOCRJXWIM-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)C1CC(CC)C1	2026143280	KLAKMLPNHHDWOK-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1C[C@H]2CCC[C@H]1C2	2026239233	RPBOSSWKFXPKFY-VGWMRTNUSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)C1CCC(N[C@@]2(C)CC=CCC2)CC1	2027008510	KWMPLIJAVVWBJV-DQPZFDDXSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)c1cc(C)co1	2027839218	GPNQLZKJBLYKSH-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
C[C@H](C[C@@]1(CN)CC=CC[C@H]1C)C1CCCCC1	2027924315	UCCDJPYQJGHDCI-BFYDXBDKSA-N	249.442	4.524	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1C)[C@H](CC)C(C)C	2028265376	RWXULLDTFPQKFG-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccccc1C1(C)CC1	2028549809	PYPMOIBYJPLVGU-CJNGLKHVSA-N	246.394	4.598	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)c1cccc(C2CC2)c1	2028563763	XGYSSCUJTAWZRJ-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)c1ccc(C2CC2)cc1	2028591399	SLUHFRALAJFXQS-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
C1CCN[C@](CCCCCC2CC2)(C2CC2)CC1	2028645173	QDNIPNGWCVWHQH-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]21	2028788009	WUKLSALFWKKTFO-ARFHVFGLSA-N	246.394	4.662	0	10	BJAE	
C[C@H](NC[C@]12CCCC[C@H]1CCC2)C1CCCC1	2031809034	OSNPJSUOLTVIFN-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C1C(C)(C)C1(C)C	2034029240	AONDCTJPQDMFEL-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H]1NCC12CCCCC2	2034045443	ZBYZGXBRPILUMF-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1ccc([C@@H]2C[C@@H]2C)o1	2037169478	VRFLSMMGNXGBSP-BFHYXJOUSA-N	247.382	4.539	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)CC1CCC=CCC1	2037207592	BQNZYNHWNPVWIV-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CNC[C@@]1([C@H]2CCC(C)(C)C2)CCC=CCCC1	2037684867	CFFDCYVFEPYWJC-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCCC1CC2(CCC2)C1	2038097386	VSRYLXMLVHYPNK-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@H]1CCC2(CC2)C1	2038566679	DYRWQUBECSJCBB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NC1C[C@H]2CCC[C@@H]2C1)C1CCCCC1	2038624084	XWPNFSQWRSEZJU-INMHGKMJSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CCC2=CCCCC2)CC1	2039372334	CDVNRBNBMRGNAR-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2039376003	QGFGDCQVRWVOHL-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
C=CC=CCC[C@H](NC)[C@H]1CCCC(C)(C)CC1	2039384799	MEVOWTVXXCHYPW-HOTGVXAUSA-N	249.442	4.703	0	10	BJAE	
CC1([C@@H]2C[C@H](N)C23CCCCCC3)CCCCC1	2039843347	JDDXQJDFDYUGKU-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](N[C@@H](C1CCC1)C1CC1)C1(C)CCCCC1	2039873598	XXBKIPAIVNDABB-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC2(C)CC=CC2)CC1	2042076316	MUTHSBNZTJIFCB-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1(CNC(C)(C)C)CC=CC1)C1CCC1	2042086399	FKIJWZMLOMPJNI-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CCC(C)(C)C1CC1	2045680934	QTMIEUNYPBBLAQ-CJNGLKHVSA-N	248.410	4.764	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1CC(C)=C[C@@H](C)C1	2045684949	PATKXGHQNICZFZ-XOKHGSTOSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C[C@H]1C=CCCC1	2045811816	AHKJUTNXCXRPMG-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@](C)(CN)Cc1ccc(C(C)C)cc1	2045977028	VWXVFYIUCGMZKM-KRWDZBQOSA-N	247.426	4.508	0	10	BJAE	
CC1([C@H](N)C[C@H]2CC23CCCCC3)CCCCC1	2047013167	TWHOLPGZLCVTSN-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCNC[C@]1(CCC(C)=C(C)C)CCC12CCC2	2047942870	NIHTTZASYXOLOP-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCNC[C@]1(CCC=C(C)C)CCC12CCC2	2047958733	LCWWPEPKBVQJEM-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048471470	JKNXYFJMSBWFRQ-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@H]1CCCC(C)(C)C1	2049497222	ANTIRTWAAITMNL-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)[C@@]1(C)C=CCC1	2050009656	YYCANJNKQMIKKA-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2CC(CC3CC3)C2)C1	2050217087	OUMHYAWJSGMINR-GOTCIRLWSA-N	248.410	4.598	0	10	BJAE	
CC1(CCC[C@@]2(CN)CCCCC23CCC3)CC1	2053420482	YRTQDOXZFYSSRJ-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CCCCc1ccc(N[C@H]2CCCC[C@@H]2F)cc1	2055157893	CIJSMUMLMNHJPN-HOTGVXAUSA-N	249.373	4.722	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2CC(C3CCC3)C2)C1	2056676552	AWTICZLREPDFFJ-WHPGWMBPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)CC[C@@H]1CC1(C)C	2056874331	WCXPHVJMMUGXQJ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)C1C(C)(C)C1(C)C	2056875106	CVLNUDLTTWTXCH-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC1([C@](C)(N)C2CC(C3CCC3)C2)CCCCC1	2057496258	VSRLTZQNYZRKAL-VMBOVVBDSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCC1CC1)C1(C2CC2)CCCC1	2057600053	YYJWNPDPQZVSQS-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C/C=C/CCCNC[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2059225851	SCQHNYSZPUYUTE-HPFYIGJRSA-N	249.442	4.539	0	10	BJAE	
CC=CCCC[C@H](NCC)c1ccc(C)cc1C	2059260609	ZFXXDCMLNXXDII-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C(C)(C)C)CC1)C1CC1	2061096549	VVNKAJLRRVJOMO-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NC1CC(=C2CCC2)C1)C1(C)CCCCC1	2061255909	HQHJYTQBVVZLLZ-CYBMUJFWSA-N	247.426	4.578	0	10	BJAE	
Cc1cccc2c1ccn2CC[C@@]12CCC[C@@H]1C2	2061604380	ZCWOCSHQOPJKGN-RHSMWYFYSA-N	239.362	4.530	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1CC(=C2CCC2)C1	2061738307	AQBHBVVCHRFFBL-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCCCCC12CC2	2062017038	LUTOARJPUNCLGW-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CCC[C@H]2C[C@H]2C)cc1	2062618966	HHJOUJNDUYBEFU-COXVUDFISA-N	245.410	4.636	0	10	BJAE	
CCC1(C(=O)CC2C[C@@H]3CCC[C@H]3C2)CCCC1	2063418067	JHXXYZKZOYGFHU-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)NCC1(C[C@@]23CCC[C@@H]2C3)CCCC1	2070964057	SWFOLUJDFDBWCA-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)C[C@@H]1C[C@@H]1C	2071509257	AKMXKISBZDFDOR-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1(C(C)C)CCC1)[C@H]1C=CCCC1	2071938430	NKCKSOLSPZYCPK-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C([C@@H](N)C2(C(C)(C)C)CCC2)CC1	2071938449	NMYKILBRBDYERE-CQSZACIVSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CC1(C(C)(C)C)CCC1)C1(C)CC=CC1	2071946807	UNCVSZHZUCUSKF-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C[C@H](N)c2cocc2C)CC1	2072794923	YVBRQCPKGIYGHZ-XUJLQICISA-N	249.398	4.584	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@H]2CCCC23CC3)CC1	2072796587	PVHJBFIBHJBYBC-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCC(C)=C(C)[C@@H]2N)CC1	2072807400	VVGLECYPUBCWKI-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](CC2C[C@@H]3CCC[C@H](C2)N3)CC1	2072809825	QOKJWULUTYGAQV-ZZCJBCQWSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](COc2cccc(C)c2C)CC1	2072877823	KDRPPMNGSINNJN-WKILWMFISA-N	246.394	4.899	0	10	BJAE	
CC(C)C1CCC(N)(C[C@]23CCCC[C@H]2C3)CC1	2074026442	ULFYGLVGPLVKKD-VUROTCPHSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCCN1C[C@@H](C)c2ccccc21	2075144985	BEIQJNOKBDOSBS-OAHLLOKOSA-N	245.410	4.827	0	10	BJAE	
C1=C[C@H](CNc2ccccc2C2CC2)CCCC1	2077261666	BVQLQSGEUKUOHZ-AWEZNQCLSA-N	241.378	4.722	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@H]1C[C@@H]1C1CCC1	2079439228	MXZRLWASBOOWMH-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1CCC[C@H](C[C@H]2C[C@H]2C2CCCCCC2)C1	2079705939	KFOFAUYCGVWONI-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2[C@H]3CCCCC[C@H]32)C1	2083040207	CQADPADBPBVAFB-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NC)c1ccccc1C	2086050655	NNDDJLOUSQUFBH-RHSMWYFYSA-N	247.426	4.862	0	10	BJAE	
CC1(C)CC[C@H](CC=Cc2ccccc2)C1	2210662486	PCBPPAKFRHJGBQ-HNNXBMFYSA-N	214.352	4.916	0	10	BJAE	
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CC[C@@H]1CCC[C@@]1(O)CCCCCCC1CC1	2213579538	GBQMNUNVIHCZHU-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
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CC[C@@H]1C[C@H]1CC[C@@H](O)CCC1CCCCC1	2215251860	OMRYXLLKKHVPLN-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCC[C@@H](C(C)(C)C)C1	2216247280	KXHJZAONOGOXDE-CKAOXQASSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCN(C)[C@@H]1CCC[C@H](C(C)(C)C)C1	2216248394	WUFYKFASUWHDJQ-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(O)CCC[C@@H](C(C)(C)C)C1	2216251520	FREYYEVCCAQJHF-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CC1(CC[C@@]2(O)CCC[C@@H](C(C)(C)C)C2)CC1	2216254979	BDMYTHWLHVJMLE-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C(C)(C)CCC	2216282802	MGAQXXQBMSIIKN-HNNXBMFYSA-N	237.431	4.703	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@@H](O)CCCCCCCC1CC1	2216860528	BFPWGEZUVHRGSA-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)[C@@](C)(O)CCCCCCCC1CC1	2216902342	QTZMJNMEKBTLBR-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
C(CCC[C@@H]1CN[C@H]2CCCC[C@@H]12)CCC1CC1	2218727947	STKWNWYZOAEUIJ-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(CC)c1NCC[C@@H]1C[C@H]1CC	2220930371	VGSPFQUGOAXBJB-HZPDHXFCSA-N	245.410	4.660	0	10	BJAE	
Cc1cccc(F)c1C(=O)CC1(C)CC(C)(C)C1	2221087705	GEIQTGDTSFUHIA-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCC[C@@](N)(c1c(C)cc(C)cc1C)C(C)(C)C	2221991799	AVRSWQGILUZPIK-QGZVFWFLSA-N	247.426	4.612	0	10	BJAE	
Cc1cc(C)c([C@@](C)(O)CCC(C)(C)C)c(C)c1	2221998844	GGMWXUTYNUNPND-KRWDZBQOSA-N	248.410	4.646	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1	2222954564	LMQBLEUMHIGZQW-XRGAULLZSA-N	248.410	4.598	0	10	BJAE	
C[C@@]1(CC[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCN1	2222970062	HSCIONXOMVIIOQ-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)c1cccc2ccoc12	2224186030	CQKFOEBOMTVPQJ-WFASDCNBSA-N	245.366	4.505	0	10	BJAE	
C(=C/c1ccccc1)\Cc1cccc2c1CCCC2	2226205820	FQXGRHZAPAVNHI-UXBLZVDNSA-N	248.369	4.821	0	10	BJAE	
CCCC[C@H](O)CCC[C@@H]1CCC[C@@H](C)C1	2242809939	ASQFEEMRNJNTDK-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)C1)C(C)(C)CC	2246454683	QLWRIPSTBVRVRB-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C1CCCCCC1	2247176262	NWFYPTBTYJMVSV-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)[C@@H](C)C(C)C	2250479273	SEAGVWXZYHYGNB-HRCADAONSA-N	241.463	4.848	0	10	BJAE	
CCC[C@H](CN)CCC[C@@H](C)CCCC(C)C	2250531362	XHKGMJDCGCNPRP-HOTGVXAUSA-N	241.463	4.994	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@H]2CCCCC23CC3)C1	2253812889	YYLBFJRAFIILMT-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
N[C@@]1(CC[C@@H]2CCCCC23CC3)C=CCCCC1	2253860447	ZFWFLPKPXCJAHO-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CCC[C@H]3C[C@H]32)C1	2253932936	WBOYAOWPOSZDPY-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@@H](N)C2CC3(CCC3)C2)C1	2253939068	PTRKOQJVOHBUJY-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCC1CC2(CCCC2)C1	2254083930	JNUVOBXJZAGIGJ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C(C1CC1)C1CC1	2257256461	MJAWBOHDXLMNDA-WFASDCNBSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N[C@H]2C[C@H]3CCC[C@H]2C3)cc(C)c1C	2258237852	MVSIKMBSEQNJQK-ZOBUZTSGSA-N	243.394	4.602	0	10	BJAE	
CCC1CCC(C(=O)C[C@@]23CCC[C@H]2CC3)CC1	2260573645	IZPMKSBGJMUZKD-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C[C@@]12CCC[C@H]1CC2)C1CCCCCC1	2260586401	HEVWYRZQRKIYMH-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1cccc(C2CCCC2)c1	2260732201	WEZVNCNMRADLGI-CXAGYDPISA-N	243.394	4.945	0	10	BJAE	
C[C@H](CC1CC1)Nc1cccc(C2CCCC2)c1	2260734972	FSJKJSNVRGXMPO-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@]2(N)CC23CCCC3)C1	2261297196	XGHJYDIMZGFABS-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(CN1CCCCCC1(C)C)C(C)C	2298882375	VRRCKZVQUKCUJL-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)CC[C@H](O)C1(CC2CC2)CCC1	2300681809	SOVKGTSXFJWLIB-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@H]1CCC[C@@H]1CCC(CC)CC	2300698619	BDKLAFRPRBOZHE-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCC(C)=CCNc1cccc(C(C)(C)C)c1	2300863772	SXAOQKHAOBRVAR-UHFFFAOYSA-N	231.383	4.752	0	10	BJAE	
CC(=CC[C@H](N)[C@]1(C)C[C@H]1C)CCCC(C)C	2300876223	DGHYOYTWYYAFAO-OWCLPIDISA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)CC[C@H]1CC=C(C)CC	2300898417	DILURVXZTJYWAF-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCC1(CN(C)[C@H](C)[C@@H](C)C(C)C)CCC1	2301700390	GSDPLXCRTFTQLF-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)CCC1=CCCCC1	2301937616	GIXLUVUVSVIKHC-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CCC[C@H]1C[C@@H]1C	2302620980	WZXDKPBXVHQLOY-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@H]1CC[C@@H]1C1CC1	2303055312	RBVKPXDUUPCORH-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
CCNC[C@]1(CCC(C)C)CCC(C)=C(C)C1	2303481033	RAOHQFHBLJWBAY-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1CCC(C)=C(C)C1	2303516298	NUOYXKDWESDFNT-HUUCEWRRSA-N	236.399	4.908	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCC[C@H]1CCC(C)(C)C1	2304358322	BCYUNLAKRJICAW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCNCC[C@H](C)CC[C@H]1CCC(C)(C)C1	2304445513	BNWBTHXOMBVZGA-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC)CCC[C@@H](C)C1	2307763596	NNNQGRDJZAUGSG-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@H]2CCCC[C@@H]2N1	2307821549	HVOCIHSTUAPDAU-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1CCCCCCC1	2307843182	KTQGAZPIIYAWIF-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](CCC)CC[C@@H]1N	2307902944	NCSUFHLZHBWSEK-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCC[C@H]1C1CC1	2307903228	NYAUMMKHWANZQR-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C=C1CCC(C)(C)C[C@H]1CN)CC	2307910091	WYEITNHUZJDFPK-ZFWWWQNUSA-N	237.431	4.524	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC(C)(C)C)C[C@H]1C	2307928223	IXHZXIBFQNVMDF-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@@H]2C[C@H]2C(C)C)cc1	2308186501	PTINUOXXAZVDHP-XOKHGSTOSA-N	245.410	4.505	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2308581067	DLNIIBRQVTUGAX-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)CC[C@@]12CCC[C@@H]1C2	2310373596	CPGKBADTRZPZFI-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(CC(=O)[C@@]23CCCC[C@@H]2C3)C[C@H](C)C1	2311132101	YFRUAIXMFRKQJG-GKLJAUDBSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C[C@@]23CCCC[C@@H]2C3)CC1	2311163687	QUFLFSNCDDSBEY-MPTYRVRUSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC1CCC1)N(C)[C@H]1CCC12CCCCC2	2313607738	FGBLRLOTOKTLFG-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
CC(=CC[C@]1(CN)CC=CCC1)CCCC(C)C	2316499126	KLZKDXIMHAGKMR-KRWDZBQOSA-N	249.442	4.834	0	10	BJAE	
CC(=CC[C@H](N)[C@H]1C[C@@H]2C[C@@H]2C1)CCCC(C)C	2316508201	IVIAIVGWGJLMQH-YVSFHVDLSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316871420	APZZTCAQAZWXKS-QXKUPLGCSA-N	248.410	4.598	0	10	BJAE	
CC[C@](O)(c1ccc(C)cc1)[C@H](C)[C@H](C)C(C)C	2317858273	IDJPLFVWNLRQKF-BFYDXBDKSA-N	248.410	4.521	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CCC[C@@H]2CC[C@H]21	2318538381	CNKWCDCKAKBNKD-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)[C@H](NCCCC2=CCCCC2)CCC1	2318543957	UEVPJFNQPGOARX-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CC1(C)CC2(CCC2)C1	2318928634	OPKALHZSFVJKCD-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C2(C3CC3)CCCC2)C1	2319124053	OTXUIUGBNCGJIU-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](O)CC[C@@H](c1ccccc1)C1CCCC1	2319670544	UHBZUBXAMQJMEG-SJORKVTESA-N	246.394	4.512	0	10	BJAE	
CC[C@@H](C)[C@]1(CNC2CCC2)CCC(C)=C(C)C1	2320261775	SYJZJUHULVBVDB-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CNCCC2CCCCC2)CC1	2320268535	QQHABSPWLWZCBQ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1=C(C)C[C@@H](CC2(O)CC3(CCCC3)C2)CC1	2320334652	QZCOSEUNAAVSIV-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(NC[C@H]2CCC(C)=C(C)C2)c1	2320410749	GOOKOXLKFLVLJC-INIZCTEOSA-N	243.394	4.797	0	10	BJAE	
Cc1cccc(NCC[C@H]2CCC(C)(C)C2)c1F	2321614749	YMQKHVOIPRXNIH-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C2CC3(CCC3)C2)C1	2321639110	IFBIKMGCLCRVAE-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC[C@](O)(c1cc(C)ccc1C(C)C)C(C)(C)C	2327701136	JDXZOUWIDQYLAO-KRWDZBQOSA-N	248.410	4.762	0	10	BJAE	
C=C=CC[C@H](NCC)c1cc(C)ccc1C(C)C	2327784257	MQSCEWJJVRUOTL-KRWDZBQOSA-N	243.394	4.500	0	10	BJAE	
CCCCCCc1ccc([C@@H](C)C(C)(C)O)cc1	2327899948	QFIAHPZHCAPNCI-CQSZACIVSA-N	248.410	4.684	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CNC2CCC2)C=CCC1	2328306586	LWHCVULVUZMPHI-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C1CCC([C@H]2CCCC[C@@H]2NC2CCCC2)CC1	34994952	QLTAZAPUVKVHTH-SJORKVTESA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Nc1ccccc1F	36664967	IXWCUXWJSGNYJU-DVOMOZLQSA-N	249.373	4.698	0	10	BJAE	
CCCCCCNc1nc2ccccc2cc1C	70468352	AGDDCBWCOHFVRD-UHFFFAOYSA-N	242.366	4.535	0	10	BJAE	
Cc1c(Cl)ccc([C@@H](C)c2ccccc2)c1F	75841661	CDSUTPHOTMKNRJ-JTQLQIEISA-N	248.728	4.939	0	10	BJAE	
C[C@@H]1CCC[C@H]1Nc1ccc(Cl)c(Cl)c1	83389676	HGGFKMLOUSBXBL-PRHODGIISA-N	244.165	4.594	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](Nc2cccc(F)c2)CC1	86922547	OQJOFKGDUMXZFQ-ZFWWWQNUSA-N	249.373	4.843	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H](CC)CCCC	87649090	UGALIDHAHOXACY-HUUCEWRRSA-N	228.420	4.924	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)c1cc(C)c(C)cc1C	109946510	GAVGQYPWEYQJTR-HOTGVXAUSA-N	247.426	4.841	0	10	BJAE	
CCC(CC)[C@H](C)NC1CCC(C(C)C)CC1	111665088	MTFOSJUREUZCNC-JEYLPNPQSA-N	239.447	4.616	0	10	BJAE	
C=Cc1ccccc1/C=C/c1ccccc1	115807952	SSXRRKVCVZJNDB-OUKQBFOZSA-N	206.288	4.500	0	10	BJAE	
C[C@H](NC1CC(C)(C)CC(C)(C)C1)c1ccco1	124751029	FNLFHTJVGLEOHE-LBPRGKRZSA-N	249.398	4.535	0	10	BJAE	
CN[C@H](c1ccccc1)[C@@H](C)CC1CCCCC1	128426669	FZVPEKQIYOHYFS-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2ccc(C3CCC3)cc2)C1	132996443	ZSBDRTVQFHXNMH-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@@H](CC)C1	227227128	JZGMUYLRYRCXAH-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCC1(CN[C@@H]2CCC[C@H](C)CC2)CCCC1	233089361	MCAKRNPCBKZIQO-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCCNc1c(C)cccc1C(C)(C)C	238207712	AYIZEYBDALQZFR-UHFFFAOYSA-N	219.372	4.505	0	10	BJAE	
C1CC[C@@H]2[C@H](C1)[C@@H]1CCC[C@H]3CCC[C@@H]2[C@H]31	263589132	FEBHUAJIEVOXIJ-KXKVQDCLSA-N	218.384	4.639	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCC1CCCC1	300729983	FISRHTPPWLVGPR-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H](C)CC(C)C	300956689	QJGFLYYATYQNOJ-UKRRQHHQSA-N	227.436	4.602	0	10	BJAE	
Cc1ccc2c(ccn2CCCC(C)(C)C)c1	302370304	ZAGQDOLYSNEMKF-UHFFFAOYSA-N	229.367	4.776	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)c1ccc(C2CC2)cc1	305902677	BOCAGXJIEQBTPM-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
C[C@@H](CCC(C)(C)C)Nc1cc(F)ccc1F	306011442	IENSNHWFMJQYIZ-JTQLQIEISA-N	241.325	4.592	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)CC1CCCCC1	309993006	JVWLHHKJVKYZRY-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC1(C[C@H](NC)C2CCCCCC2)CCC1	310430365	QAUAKOYLLRDBPO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
N[C@@H](CCCCC1CCCCC1)c1ccccc1	310627699	XCIJYRKRXYAFKV-KRWDZBQOSA-N	245.410	4.827	0	10	BJAE	
CCCNCC(C)(C)CC/C=C/c1ccccc1	317427408	VVVSNVNDEUFLJC-XYOKQWHBSA-N	245.410	4.506	0	10	BJAE	
CC[C@@H](Nc1ccccc1C(C)C)C1CCC1	322255840	FMDQFQKKVFLYIW-OAHLLOKOSA-N	231.383	4.801	0	10	BJAE	
CCCC1(C(=O)c2ccc(C(C)(C)C)cc2)CC1	380759794	PETBPBZXJDXKDA-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1CCC(C)CC1	383528864	QGXJYTZMCRAMCI-NRXISQOPSA-N	238.415	4.988	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)CCCCCC(C)C)c1	383540393	OJHFLSFBBQEPAB-KRWDZBQOSA-N	248.410	4.943	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCC[C@@H](C)C1)c1ccccc1	385236930	UUVPDBLZLWOULA-IJEWVQPXSA-N	244.378	4.576	0	10	BJAE	
Cc1cc2nc(C(C)(C)C(C)(C)C)[nH]c2cc1C	386582986	ASBFHWLLFVJZTB-UHFFFAOYSA-N	244.382	4.503	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC[C@H]1C)C1CCCC1	387552154	UOTKKRVZHNGPPB-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](N[C@@H](C)CC(C)(C)C)c1cccs1	395054891	NFSBENLMSYNVPY-NWDGAFQWSA-N	239.428	4.614	0	10	BJAE	
CC[C@](O)(Cc1ccc(C(C)C)cc1)C(C)(C)C	395430287	KZJXBJSSDRDLNH-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
CCc1csc2cc(C(F)F)cc(S)c12	396235408	HLGGMQOMRAQPPA-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CC(C)c1ccc(NC[C@H](C)C2CCC2)cc1	398851672	NTYUNYGDPVYHLM-ZDUSSCGKSA-N	231.383	4.658	0	10	BJAE	
CCc1ccc(CC)c([C@H](O)[C@@H](C)C(C)(C)C)c1	399192070	WKRFCNQXVQBYQG-MLGOLLRUSA-N	248.410	4.527	0	10	BJAE	
CC1(C)[C@H]2CC[C@H](NC3CCCCCCC3)[C@H]1C2	400210204	PFDBHQVNLBTUSY-IMJJTQAJSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC(=O)CC(C)(C)C1CC1)c1ccccc1	405775697	AUWNZJMZCUGUHQ-CYBMUJFWSA-N	244.378	4.576	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC(C)(C)c1ccccc1	686655849	ZLUJCGIHUJNROU-HOCLYGCPSA-N	248.410	4.542	0	10	BJAE	
Cc1cc(C(=O)CCCC2CCC2)sc1C	688895918	ZXOZTCFDTORQFF-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H](C)C(C)(C)C)c1	688939936	ZOJMWJNEEABYRP-LBPRGKRZSA-N	232.367	4.675	0	10	BJAE	
CC[C@@H](N[C@@H](C)CC1CCCCC1)C1CCC1	689776144	DUYJLHVBFFSNIM-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(NC[C@H](C)C(C)C)cc(C)c1Cl	690263099	SURQDIFQQGYLCO-LBPRGKRZSA-N	239.790	4.661	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCCCC[C@@H]1C	691076801	FTDRHARDBPWZQR-FZMZJTMJSA-N	235.346	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCC[C@@H]2C[C@H]21	691669195	PDTOHRYDTBZOJU-RBSFLKMASA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cc2cccc(C)c2o1	696558298	CDUATQCECVXKIO-ZDUSSCGKSA-N	246.350	4.601	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CCC(C)(C)CC	696562352	WACNPLNRXXGJIC-ZIAGYGMSSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CCC(C)(C)CC	696562627	XDYMCXBZKRUEDF-CABCVRRESA-N	241.463	4.993	0	10	BJAE	
CCCC1(NCCC(C)(C)CC)CCCC1	696784597	YNTOAZVMNJILCF-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC1CCC(C(=O)CCC=C(C)C)CC1	697867878	SYXJVYDZEPJZFQ-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCC(C)(CC)C(=O)C1(c2ccccc2)CCC1	701275912	WAYVFOJARQWVBQ-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCC12CCCCC2	707493699	ZBAUDCPVMNXKDN-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCNC[C@H](CC(C)C)C[C@@H](C)CC(C)(C)C	709131377	WVEWVMWVWHSWRS-HUUCEWRRSA-N	241.463	4.721	0	10	BJAE	
C[C@H](C[C@H]1Cc2ccccc2C1=O)CC(C)(C)C	709277294	XGKTVJCITOLXIU-OCCSQVGLSA-N	244.378	4.504	0	10	BJAE	
CC(C)[C@]1(C[C@H](C)C(C)(C)C)CCCCCN1	710766271	MWXXGQKCKPFABU-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(=O)C[C@@H](C)C1CCC1)C(C)(C)C	711114015	MAZVLEADNCKZOQ-OCCSQVGLSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC(C)(C)C(C)C)C1	713270495	YAYNELWPVSFVNP-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C\CCN[C@@H](C)c1ccc(C(C)C)cc1	713496519	QJQAIMCTPUHGAB-XHPSBEMXSA-N	243.394	4.593	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	714893681	HOLRANDVVQWODF-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(CC)c(NCC2CC(C)(C)C2)c1	723540118	HDVZHVYLTXZMJX-UHFFFAOYSA-N	245.410	4.660	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@H]2CCCC23CCC3)C1	1658357233	WQUWBDHARIDMRM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CCNc1ccc(CC)c(Cl)c1	1900837824	HSSXAPSBAGNQRM-UHFFFAOYSA-N	237.774	4.671	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CC1CCCCCC1	1901102078	KHGQNSIUCSFQND-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC1=C(C)C[C@H](CCCC(=O)C(C)C)CC1	1902847596	RBUFVMQBNDVSKU-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCC[C@@H]2CC[C@@H]21	1907048982	DZQNNPQUTLRQML-TYNCELHUSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCC[C@H]1C(C)C	1907594787	RZNJLGXHXDMODE-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCC1(C)CCC(N)(CCC[C@@H]2C[C@H]2C)CC1	1908554781	LDJUUQRDTYFBJA-WXLSXGNJSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1C[C@H]1CCC)NCC	1910741172	UOVSODPHMZKDBL-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCCC(=O)C[C@@H]1C[C@H]1C1CCCCCC1	1910808880	CONQMNOTWRNFAS-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
C=CC=CCC[C@]1(CNC(C)(C)C)CCC[C@@H]1C	1911928359	XUHBCKNHEBQDDT-DOTOQJQBSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@H](CC)c1ccc([C@@H]2CC2(C)C)cc1	1916482989	AZXQGSSYFPFQRC-JKSUJKDBSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2C=CCCCC2)CC1	1925821564	VXUMQYQBASOLLL-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1C=CCCCC1	1925930661	SEXXQNASDSMVKW-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CCCC(CCC)[C@H](NC)c1cscc1C	1938844149	WLLKYTDLBKJRSL-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@@H](N)CC[C@H](C)C1CCCCC1	1939114539	YXPBGFASUXWYJS-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H](C)C2CC2)CC1	1940698529	GLDMIHJFYRDTTR-DNOWBOINSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](O)CC1CCCCC1	1940876063	ZLECITIJTJSTLM-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](N)CCC1CCCC1	1941267330	QEGHOJDDASDTGQ-HOTGVXAUSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCNc1ccnc2ccsc12	1941498829	MWCOTAUJANPENJ-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CC1(C)CC[C@@H](CNC2CCCCCCC2)C1	1945590427	FANWJCAKEKHAEG-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc(CC)cc1	1947458544	GZUVIMRAVMIJEB-ZBFHGGJFSA-N	231.383	4.630	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)NCC(C)(C)C(C)(C)C	1948331192	DVMIZAUVVQBYKB-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)C1=CCCCCCC1	1948331339	GFSYWHZFRNCURY-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H](C)[C@@H](C)CC(C)C	1948333362	RXWQAEJFSJQNRR-VGWMRTNUSA-N	241.463	4.862	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@H]1CCC2(CCCC2)C1	1949420806	IOCNUYJQXMSXDO-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC[C@H]1CCC2(CCCC2)C1)NC	1949552522	RUCPTPHXFXDLEG-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(C[C@H]2CCC(C)(C)C(=O)C2)CC1	1949657075	XNMFHHXHIYDEMZ-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC2=CCCC2)CC1	1950913228	FTYGRLVNTRZNJP-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC(C)C[C@@]1(CNC(C)C)CCC[C@@H](C)CC1	1950922565	BIABAUVTKUOBRM-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CNC(CC)(CC)CC)CC1	1970612249	LIVFEGNTAZCBNM-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	1970662763	DSISMTKZQKVXPC-JJTUDDRGSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccccc1C	1986949373	XLYXAKANXXGDTG-CQSZACIVSA-N	219.372	4.622	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)[C@H](C)CCC(C)C	1988796025	ZFYFNMABISCREN-HUUCEWRRSA-N	226.404	4.556	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC[C@@H]1CC	1990092093	VFOYBIDKWXYBFY-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H](C)C(C)(C)C	1990094439	VZNKGKQQLOBJPN-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](Nc2cccc(Cl)c2)C1	1994914737	QVJOYACXLNAHNZ-SMDDNHRTSA-N	237.774	4.577	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@H](C)CC(C)C	1995213890	HORZQHJVEWYVLH-ZIAGYGMSSA-N	226.404	4.844	0	10	BJAE	
C=CC=CCCN(CCC(C)C)CCC(C)C	1995757969	PMWHQEPHYJGUHV-UHFFFAOYSA-N	237.431	4.513	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H](C)C1)C(CC)CC	1996269263	KOGCROGLCZHHKN-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NCC1CCCCCC1	1997341189	LJYIOEJSDBABDI-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)NCCCC[C@H]1CCC=CCCC1	1999992652	IBHBOVXTWFWIBI-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@@H]1CCC=CCCC1	1999999643	VAAFCPQLLFIAFY-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)CCCC(C)C	2000258049	ZCBVUQJNWJYKAJ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)C(CC)(CC)CC	2000371181	GPZSAFQMEWYXDD-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCNCC(CC)(CC)C1CCC(C)CC1	2000500198	SAFMWANNPJSIHQ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CNC)C[C@@H]1CCC[C@@H](C)C1	2000513411	UBNMEQRRYLMTPC-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](C)(CCC(C)=C(C)C)CNC(C)C	2000522214	CFDUHMPVWFIMTB-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CC(C)=CCCN(C)[C@@H]1CCCC(C)(C)CC1	2000894799	MBSJABPHZLJMEB-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CCC(CC)[C@]1(O)CCCCC12CCCCC2	2001602233	JEPHZUFUTZGWAZ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCc1ccc(NCC2(C)CC=CC2)cc1Cl	2001695353	ZNDJGDODVOBMLW-UHFFFAOYSA-N	249.785	4.671	0	10	BJAE	
CCc1cccc2c(Cl)c3c(nc12)[C@@H](C)CC3	2002853526	PDJKZHZEGSPMRO-VIFPVBQESA-N	245.753	4.500	0	10	BJAE	
CCCCC[C@H]1CC[C@H](CNCCCC)CC1	2003109882	ZCDRLFXOGKGEDB-WKILWMFISA-N	239.447	4.763	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@H]1CCC2(CC2)C1	2003197131	JJFXGKJZIWYDET-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@H]1CCC2(CC2)C1	2003276696	BGJGWTCZAZUDTF-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CO)CCCCC1(C)C	2005583850	RICMTYQPFVTJFP-MRXNPFEDSA-N	240.431	4.782	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CO)CCC1CCCCC1	2005587605	YEPXZIXXLIQAFA-GDBMZVCRSA-N	238.415	4.536	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](N)C[C@H](CC)C1	2006628415	PMDUGORZMDUZJE-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)C1(C)CCC2(CC2)CC1	2007699850	ZMVUAZOZFIITDT-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1CC(CC2(O)CCCCCCC2)C1	2007757833	ZQPVLADJGVEYNW-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1CCC[C@H]1C	2009596600	SPBGHRDLBOZPRZ-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](CCC1CCCCC1)NC	2009619985	QEBJHCCMOHCDNE-CWDCEQMOSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1CCCCCC1	2009636327	VXRSABSXZKYZIC-LLCTXKFZSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](CC)CC1)c1ccsc1	2010724954	FKAJXDMEKMBMEB-DOMZBBRYSA-N	249.423	4.535	0	10	BJAE	
CCC(CC)C[C@@H](NC)C1=CC[C@@H](CC)CC1	2010750380	VGWWUZVTWZWNAR-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011982518	KPPCYEWKGCBAJA-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)C=CCC(C)(C)C1	2012050868	GCRKMIJJEIGCJU-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)[C@H]2CCC2(C)C)c1	2014904211	VHBXHUPZJLIYTE-UKRRQHHQSA-N	231.383	4.540	0	10	BJAE	
CC(C)=CCCC(=O)[C@]1(C)CCCC(F)(F)C1	2014958249	UXYDHHKVLXWMSM-CYBMUJFWSA-N	244.325	4.518	0	10	BJAE	
CCCC(CCC)C(=O)CC1C[C@@H]2CC[C@H]2C1	2015197878	RWLZNFOSNKTPMJ-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCC1([C@H](O)CC(C(C)C)C(C)C)CCCC1	2015274389	JTEBHXJNOBFQHB-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1cc(C)c(C)o1	2015323718	SXGWXVBKUUMSPQ-KGLIPLIRSA-N	238.371	4.536	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)CCC=C(C)C)C1	2016150861	YQQMZRLUKBBKMG-CQSZACIVSA-N	237.431	4.680	0	10	BJAE	
CCCC1(CC(=O)c2ccccc2SC)CC1	2018955816	JIJBGVDVVFICFO-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1CC1(CC)CC1	2018976022	QXHTTZKIGBVMAP-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCCN([C@@H](C)CC)[C@@H]1C=CCCCCC1	2019118282	TWPWVJDHNLUOBR-JKSUJKDBSA-N	237.431	4.776	0	10	BJAE	
CC=C(CC)[C@@H](C[C@@H](C)C(C)(C)C)NCCC	2020969619	QAVLGJFCTNDTQR-UKRRQHHQSA-N	239.447	4.783	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)C1CCC(CC)CC1	2022560368	NYTKXQWQVDGIKY-PFSRBDOWSA-N	236.399	4.598	0	10	BJAE	
CC(F)(F)CCCC[C@@H](O)C1(C)CCCCC1	2023303174	AHFBUYLRESDUFX-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CCCc1coc2c(C)cc(C(C)(C)C)cc12	2026528348	CUBNTBONPGRSGJ-UHFFFAOYSA-N	230.351	4.991	0	10	BJAE	
CN[C@@H](C[C@H](C)C1CC1)c1ccccc1C(C)C	2027627029	SYTVLCRYKLMOPV-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)C(C)(C)C1CC1	2028106014	VZRBZJXTOBXZJX-MRXNPFEDSA-N	245.410	4.507	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1ccccc1C1CC1	2028562966	PTSVUYQXJNFWPA-YOEHRIQHSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)c1ccccc1C1CC1	2028575593	FJHVBGCWPUOAQE-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)c1ccc(C2CC2)cc1	2028594031	SPJBYIFLVQEIOU-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)C[C@](C)(N)c1ccc(C2CCC2)cc1	2028612767	SKXIPOBCXGKUBQ-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
Cc1cccc(C(=O)CCCCCC2CC2)c1C	2028630815	JPOAMHLFUXJQNN-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2C[C@@H]3CCCC[C@H]32)C1	2028786727	MNHOHAJHCQAICS-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCCC1CCC=CCC1)C1CC1	2028870213	PDVCQFPRCIKJDU-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CNC[C@@]1(CC2CCC=CCC2)CCCC1(C)C	2032105339	INYPUDXTALRZOC-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CCC[C@H]2C)CC=CCC1	2032502903	NIUIDRZYALXITJ-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@@H]2CC[C@@H](C)C2)cc1	2033389560	SYXDFARDTBQNOU-GFOFROLCSA-N	245.410	4.636	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H]2CCC(C)(C)C2)cc1	2033394576	OZVMNIRHSOKOKK-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H]1CCC(C)(C)C1	2033398673	AOFUGWZVDTWNKF-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)C1CCC(C)(C)CC1	2033809794	BJWOYMORPFGSOQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(CN[C@H]1CC12CCCCC2)C1CCCC1	2034021257	ZTMPEYUJNIFBSB-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CNC[C@]1(C)C=CCCC1)C1CCCC1	2034021265	PWHHVESHHDYEJC-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc2[nH]c3c(c2c1)[C@H]1CCCC[C@H]1C3	2034149724	UBLKAEMIVMKNSI-STQMWFEESA-N	239.362	4.560	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCC1)C1(CC(C)C)CCCC1	2035599555	NFNSLVNGHBCLTO-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1CCC(CN)(C[C@@H]2C=CCCC2)CC1	2035600973	NPLZHCDXIYJPOR-KLAILNCOSA-N	249.442	4.524	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(CC2=CCCC2)CC1	2037160132	GBDBXNQHGPFTNX-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC1CC2(CCC2)C1	2038082300	CXXRGXQBSFGDHE-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc2cc(C34CCC(CC3)C4)[nH]c12	2039846332	KMMPHOCDXGSELA-UHFFFAOYSA-N	239.362	4.562	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@H](C)C1)[C@@]1(C)CC=CCC1	2042024909	QIFXQTIAQOGFHF-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(C[C@@H]2CCC=CCCC2)C1	2045316449	DREOVUOSUOCNQP-BRWVUGGUSA-N	249.442	4.668	0	10	BJAE	
CN([C@H]1CCCC(C)(C)C1)[C@H]1CCCC2(CC2)C1	2045523360	XRQKYJODGZWQPX-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H]1CCCC[C@@H]1CC	2045795796	BLTMDBWPYCRLNN-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
NCC[C@@H]1CCC[C@H](C[C@H]2CC23CCCCC3)C1	2047005547	UQROGHKWCDUDSO-JYJNAYRXSA-N	249.442	4.502	0	10	BJAE	
CC(C)=CCC[C@]1(CNC(C)C)CCC12CCC2	2047944341	XULSNJCIBSVWFT-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](NC1[C@H]2CCCCC[C@H]12)C1CCCC1	2048386795	IMAJLNKPQOUKTM-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC([C@](C)(N)C2CC3(CC3)C2)CC1	2049487211	RFLVZRXWHXCCGJ-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@@H]1CCCC2(CC2)C1	2049846348	RWSZKLUHHYULRU-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC([C@@](C)(N)C[C@@H]2CCCC3(CC3)C2)C1	2049863932	IARMVDQJTWSQEM-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)CC[C@H]2CCC[C@@H](C)C2)c1	2050456511	RFLLMJZDOPNMQH-UKRRQHHQSA-N	244.378	4.784	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1C(C)=CCC[C@@H]1C	2051405570	DXEDNCSKFKMHDI-BBWFWOEESA-N	249.442	4.703	0	10	BJAE	
CN[C@@H](CCCC1CCC1)[C@H]1CCCCC12CC2	2053419453	FPQQDEJLHXTRGU-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H]1CCC[C@H](C[C@H]2CCC=CCCC2)[C@@H]1C	2055622302	CNRUAPBCQKZXBN-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
FCc1ccc(N[C@@H]2CCC[C@@H](C3CC3)C2)cc1	2055677746	KIFUDDKDFWRPOM-GDBMZVCRSA-N	247.357	4.537	0	10	BJAE	
CCN[C@@H](C1=CCCC1)C1(C)CCC(C)(C)CC1	2056551903	IJYQXMXGNCSFOU-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@@H](C=C2CCCCC2)NCC)CCC1	2056876001	MGPANENYSCCWKT-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1(C2CC2)CCCC1	2057593403	CPANNVBFANIHQA-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
C=C=CC[C@H](NCCC)c1cccc(C(C)C)c1	2059438569	NRPDVSGRDWSTPN-KRWDZBQOSA-N	243.394	4.582	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C1=CC[C@H](C)CC1	2060920790	HBPZLZXPBYMPLB-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)[C@@H]1CCC(C)(C)C1	2060921433	LIVGUOUDANKHDJ-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C1=CCC(C)(C)CC1	2061111922	AIZWLLMVEQJJNW-VNQPRFMTSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC(N)(CC[C@@]23CCC[C@H]2C3)CC1(C)C	2061617263	OFYIIIOAPIOFMW-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CC1CC(=C2CCC2)C1	2061695266	AWUNHOCRAOBNBM-MLGOLLRUSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC2(CC(C[C@H](N)C3CCCCC3)C2)C1	2063208818	QQFUPPVUVOVKED-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1([C@H](N)CC23CCC(CC2)CC3)CCC1	2065300751	PQFHIFMAIXUNGD-HWOWSKLDSA-N	249.442	4.501	0	10	BJAE	
CNCC1(CC23CCC(CC2)C3)CCCCCC1	2065340592	XOZLUUFVWLALLA-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)CC1CC(NC[C@@H]2C=CCCCC2)C1	2067988173	GLMDPSCEOZFNDF-QQFBHYJXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2CCC3CC2C3)CC1	2069355135	ZBJAOWMYSVDCON-PYVGIJRLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C2(CC3CC3)CCC2)C[C@H]1C	2069503173	GQIQWGBHNMBAOO-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H]1CC[C@@H]2C[C@H]12	2071063799	VXBWLDMBNQLWPE-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2071511993	RQCWEFNSADPRQO-MIGQKNRLSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@H]1CC)C1=CCC(C)(C)CC1	2071512410	UQFWOXBWXSJUOR-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@H]2CCC3(CC3)C2)CCC1	2071927433	ADSGWVOOZIRQJY-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@@H](N)C2(C(C)(C)C)CCC2)c(C)c1	2071933070	JKBGEVIXUHPIFP-OAHLLOKOSA-N	245.410	4.520	0	10	BJAE	
CC(C)C1(C[C@]2(N)CC[C@@H]3CCCC[C@@H]32)CCC1	2071939914	FOSNIIPCCIMJJE-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)C[C@@H]3CCCC[C@@H]32)CC1	2072801194	LQUNWBIJDQUPEX-WOYTXXSLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C2CC(=C3CC3)C2)CC1	2072873932	UJSULPHEBXRWKG-JOCQHMNTSA-N	246.394	4.662	0	10	BJAE	
C[C@H](NC[C@@]12CCCC[C@@H]1C2)C1CCCCCC1	2074044423	YTXQGFGIFLCVAZ-UAGQMJEPSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CC(=O)c2cc(C)c(F)c(C)c2)CC1	2074588003	AMOCJSCZBCUYRH-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCC1(CC2(CNC3CC3)CCC(C)CC2)CC1	2074624715	UIVQPTPVIONNNS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)N(C)Cc1ccc(C(C)C)cc1	2075004469	HPOWHOLEYSVJHE-KRWDZBQOSA-N	247.426	4.821	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)C1CC1)c1ccccc1	2075815374	VGGRTTSIJVODPL-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@H]1C[C@H]1C1CCCC1	2079664176	DEBNFTSBELTPET-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CC[C@@H](N)c1ccc2ccccc2c1C	2081780377	KAKDOZVRTZQFEM-QGZVFWFLSA-N	239.362	4.504	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H](C)C1(C)CC1	2212642781	FCEOLBOHOOGMTL-JTQLQIEISA-N	237.774	4.503	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)C)C(C)(C)CCC	2216278752	NZUOTDZUYHIAHL-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)C1C[C@H]2CCC[C@H](C1)C2	2218333643	RQCAEPZVPPNQAE-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CC=C(C)[C@@H](NCCC)C1C[C@H]2CCC[C@H](C1)C2	2218347048	VNTZPNLEOVRVJW-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
NC1(CCCCCCC2CC2)CCC2(CC1)CC2	2218721776	VLWYSUHRAFJSCZ-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC=Cc1ccccc1	2219082877	AFYGEQLJUWKPLO-SJORKVTESA-N	245.410	4.634	0	10	BJAE	
C[C@H](CC1(C)CC2(CCC2)C1)c1cccc(N)c1	2221036586	TWJBMFPQZRWNOV-CYBMUJFWSA-N	243.394	4.733	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C[C@H]2CC=C(C)CC2)C1	2221609757	MLEUVUFVSKBPMK-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CCNC[C@]1(CCC2CCCC2)CC=C(C)CC1	2221664850	NLYWRQGBZGRQIF-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H]1CCC[C@H](C(C)(C)C)C1	2222268201	SRWUMQXBDVHFKX-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
CC(C)C[C@@]1(CNC2CCC2)CCC=CCCC1	2223592653	CBZCXPMBMYOHDQ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)NCC1(C2CCCCCC2)CC=CC1	2223596591	PLTDBEGYCSZQMX-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@](C)(O)CC1(C)CC(C)C1	2242704726	QCCTXLPRXZRQIM-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CCC12CCC2	2247309184	UOBGDIOHSVSORO-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@]12CCC[C@H]1CC2	2251198164	VEDFPQMGEAYWMN-JYJNAYRXSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@H](C)C[C@]1(O)CC(C)(C)CCC1(C)C	2251673373	IGWBBZKGYYYJHB-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
N[C@@H](CCCC1CC1)CC[C@@H]1CCCCC12CC2	2253876685	YJJLEACINVMEOS-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC(=CC[C@H]1CCC[C@@H](C)C1)c1cccc(N)c1	2253999688	YHKWGWCLRDBQCX-UKRRQHHQSA-N	243.394	4.889	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC1(C)C)C1(C)CC=CC1	2254990200	SQYPXDAVNLLKKF-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
N[C@]1(CC2=CCCCC2)CCCC12CCCCC2	2255094249	MQMPUJXBUQQMEA-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@H](CC2=CCCCC2)C1	2255135375	BHUCISOHAUAADR-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCN[C@H](CC[C@@H]2CCCCC23CC3)C1	2257741909	MNUBRFQVOPWYLV-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNc1cc(C2CC2)ccc1F	2259115789	ILEIUIXUBJYOTF-BXUZGUMPSA-N	247.357	4.551	0	10	BJAE	
CN(C[C@]12CCCC[C@@H]1CC2)C1CCCCCC1	2260613136	HJNRPJHZRJECMZ-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@]12CCC[C@@H]1CC2	2260644925	DVOQNWKDTJOYKS-PNBKFKSVSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)cc(OC[C@]23CCCC[C@@H]2CC3)c1	2260647421	OYYOPEXSHAFPAV-NVXWUHKLSA-N	244.378	4.653	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCC1CCC1	2300453796	KUYFYLUOIPKPKD-UHFFFAOYSA-N	231.383	4.721	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CCCC[C@H]1C(C)(C)C	2300899513	OVQUUZWFBASEFD-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CCC(C)=CCC(=O)c1cccc2ccsc12	2300927040	RDZUCQZPYOYNBY-UHFFFAOYSA-N	244.359	4.830	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@](N)(CC2CCCCCC2)C1	2301143329	SWNUXGUOJJQVSF-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)CC2CCCCCC2)C1	2301143698	WLAUKNAUGVQHCB-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)n1ccc2ccc(F)cc21	2301834484	ZCVOPVIXOUXMPF-RYUDHWBXSA-N	233.330	4.634	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](O)C2(C)CCCCC2)C1	2302711490	ZIEQJDURXCRNGV-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCc1cscc1N[C@H](C)c1cccc(C)c1	2302892883	PTXJAUIFVHXMTK-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CCC1(O)CCCCC1	2303460947	FQJGESMHATYKGO-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H]1CCC(C)=C(C)C1	2303516491	OTQQJJTYBRHAJX-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CCCc1ccccc1COc1ccsc1C	2307197079	LTKRSQMWOFWDPM-UHFFFAOYSA-N	246.375	4.588	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCCC(C)(C)C1	2307754869	FSQKIOGVUKQEKM-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCCNC[C@H](CC(C)C)C[C@H](CC)CCC	2307832725	VZFTTYVQPXKFMW-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@H](C)C(C)(C)C	2307907415	LGPBSCHIILYUBA-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)C(C)(C)CCF	2307909268	SXNFXKIDWHCNGK-UONOGXRCSA-N	245.426	4.567	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1CCCCC1(C)C	2307925859	KNPRQRHKQANJRD-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@H]1CC)C1=CC[C@@H](CC)CC1	2310969008	CVHGSHCWFNDKET-JHNDHUHGSA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@@H](N)[C@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2311200049	HDZDTDPCIUGQJP-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)CC[C@@H]2C[C@H]2C)cc1	2311276773	LMUZHXSQRMFHRM-XJKCOSOUSA-N	244.378	4.819	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N[C@@H]1C[C@H]1C1CCCCCC1	2311538933	OIELQVCRQCJINF-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2313315208	DFUIPCQFHGLKTF-KEYYUXOJSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(CC2CC(=C3CCC3)C2)ccc1C	2314654039	LVEXGDSVKGDMIU-UHFFFAOYSA-N	240.390	4.990	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1C[C@@H]1C1CC1	2315876899	BNASJJMFWNDNOY-JKSUJKDBSA-N	243.394	4.576	0	10	BJAE	
CC(=CC[C@]1(C2CC2)CCCN1)CCCC(C)C	2316543189	XEAMZKRYGBNQJK-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(F)cc1NCC[C@@H]1CC1(C)C	2317916958	DYAXKNGULLMPAU-GFCCVEGCSA-N	249.373	4.797	0	10	BJAE	
CCCOc1ccccc1N[C@H](C)[C@H](C)C(C)C	2317940728	KRWULDZXZVYFFI-ZIAGYGMSSA-N	249.398	4.568	0	10	BJAE	
C1=C(CCCNC2(C3CCCC3)CC2)CCCC1	2318540827	RMZXDGMWKSDJRN-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CNC[C@@]1(CCCC2=CCCCC2)CC[C@H](C)C1	2318593680	XHVDHXGXKFMPEL-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC1CC(=C2CCC2)C1	2318927753	KSJHTMHQDJZELN-DOMZBBRYSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@@]12CCCC[C@@H]1CC2	2318931549	QWHQXTHUOJBEIU-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C=C[C@@H]2CCC[C@@H]2N)CC(C)(C)C1	2318949712	RLBZHNYMINPKLM-GJZGRUSLSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@@H](CC2(N)CC(C3CCCC3)C2)C1	2319030693	OSTKWFPDSDHSBR-BZOOQXSSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)(C)C1)[C@@]1(C)C=CCC1	2319124880	XRSRMDXTPRUTSN-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC[C@H]2CC[C@H]2C2CC2)CC1	2319687019	SLJWIVRYHYVVNT-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H]1CC[C@@H]1C(C)(C)C	2320103508	JNTCAKJMAFBVDA-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC(=O)[C@@]12CCC[C@@H]1CC2	2320314341	KBYQPPHSNBVEJY-QDEZUTFSSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](O)[C@@]2(C)CC=CCC2)CC1	2320330466	YBPLMNXZGAAWNF-ZACQAIPSSA-N	248.410	4.620	0	10	BJAE	
CC[C@@]1(C)CCCN(C[C@@H]2CCC(C)=C(C)C2)C1	2320345784	BIKNPHACVGCZRA-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
CC(=C[C@@H]1CCC(C)=C(C)C1)c1cccc(N)c1	2320348975	VPVDIRMNWYUXGM-OAHLLOKOSA-N	241.378	4.809	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H](C)C2(C)CCCCC2)CC1	2320422108	GACFMKOYLFECFZ-CVEARBPZSA-N	249.442	4.824	0	10	BJAE	
CC1(C)CCC(C(=O)[C@H](CC2CC2)C2CC2)CC1	2320813239	UGRHXKGKSPPWKM-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)c1cc(C)cc(C)c1	2328194817	ZHBPKGPOUAHZBW-RDJZCZTQSA-N	248.410	4.727	0	10	BJAE	
CCC[C@@H](C)N[C@@H](CC(C)C)c1ccccc1	19232814	GRGMIPGNHFEOCR-ZBFHGGJFSA-N	233.399	4.552	0	10	BJAE	
CCC1CCC(Nc2ccc(C)cc2F)CC1	20372250	OGKWCOWCVOXQEY-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)CCC(C)C	21791763	CAWRAAUPODZPQL-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
C=CCCCCCCCC(=O)Cc1ccccc1	34458440	QGSRODKMWCBPTO-UHFFFAOYSA-N	244.378	4.715	0	10	BJAE	
CCCCCC(=O)c1c(C)c(C)cc(C)c1C	36940024	SVGYGUFXLIZQKX-UHFFFAOYSA-N	232.367	4.683	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1ccc2ccccc2c1	36951906	GNNWTUYQXBWBCZ-GUYCJALGSA-N	239.362	4.830	0	10	BJAE	
CCCc1c(F)cc(-c2ccccc2)cc1F	49588085	PTRSBNZVOSSPBQ-UHFFFAOYSA-N	232.273	4.584	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCCCCCCC(C)C)C1	80429003	BBOZGJWJMYFBFL-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCC[C@H](C3CC3)C2)c1	81626721	LGGUUKPYRCYFRP-KBPBESRZSA-N	247.357	4.515	0	10	BJAE	
CCC[C@@H](C)CNc1c(Cl)cccc1Cl	83374705	VYRYWNLRQBJKFV-SECBINFHSA-N	246.181	4.842	0	10	BJAE	
CCCCCCC1(CN)CCCCCCC1	87690089	HLSKCHAULOJNON-UHFFFAOYSA-N	225.420	4.646	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)C1CCCC1	109753292	OFUWGJYPDOSHFX-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1CC1CCCC1	112869557	QEVRHRFLIVFABY-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1CCC(C)(C)C	112869689	DJMZKEBMZYLPHB-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCCC(CC)CC)C(C)(C)C	128645475	LEZVIBADIFVKNY-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(-c2c(F)cccc2Cl)cc1F	160401844	PAWFYMYOLYVSNR-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CC(C)CC1([C@H](N)C2CCCCC2)CCCC1	167057479	GKOBURYOFPZJLM-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
O[C@@H](c1ccccc1C1CC1)C1CCCCCC1	167652720	XZNBQOZNSYVJRT-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@@H](C)CC1	226497072	XYEPGNRQSJOROB-PMPSAXMXSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@@H](C)C(C)(C)C	229557721	JFIHMJLZSAWXHU-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1ccc2sccc2c1	229678591	KHRGLXZNBHSHJI-NSHDSACASA-N	245.391	4.892	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H](C)c1ccccc1	232997823	CKKMWHLFPKJEQW-LSDHHAIUSA-N	246.394	4.966	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1	235638278	ARBNNGZVYWWTED-TUKIKUTGSA-N	244.378	4.558	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C2=CCCCCCC2)c1	235835381	VQOSHBMTVPQWLO-QGZVFWFLSA-N	244.378	4.617	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(O)CCC1CCCCC1	302250866	KTTLVOPAQWHNPF-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CC(O)(C(C)C)C(C)C	304576486	RVPBHKXGPCLZLH-AWEZNQCLSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1n1ccc2cc(F)ccc21	304930746	DLTLVEGQTZVNKR-DOMZBBRYSA-N	245.341	4.922	0	10	BJAE	
Fc1c(Cl)sc2cc(C(F)F)ccc12	306799736	GTNWVACTOYZVQX-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
C[C@H](NCC(C)(C)C1=CCCC1)c1ccsc1	308760682	YGMSGQMQCGCTIL-LBPRGKRZSA-N	249.423	4.535	0	10	BJAE	
CCc1ccc(N[C@@H](C)c2ccsc2)cc1C	310066715	SLZKGLZSUYMVJL-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CCC[C@@H](N[C@H](C)C1CCCCCC1)C1CC1	310239936	SQAORCJGBNVJIW-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)[C@@H](C)C(C)C	319271515	FFNGBJXEEUJCPS-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@H](C)[C@@H](C)CC	320105652	QRYHRJFZYLELCK-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC/C=C\c1ccccc1	324242853	GXQQYXLVUUTMMZ-UBAGTECSSA-N	245.410	4.634	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C2CCC(C)CC2)CC1	328425616	CDXSNQAMWXDGDY-MDPANVJJSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCC(C)(C)C1	383239085	UXJMWBRZPZTLJW-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@@H](CCCCCC(C)C)C1	383385482	NHFZSZLIMOLBFM-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CC1CCCCC1	383494415	GPLYWNSIWRWNIH-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](C)CC(C)(C)C[C@H]1CCC[C@@H](C)C1	383869009	HNNTYMCPVUPMMI-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1[C@H](O)C(CCC)CCC	384519048	WLAWOSDCLCPFPE-QGZVFWFLSA-N	248.410	4.889	0	10	BJAE	
C[C@@H](Nc1cccc2ccsc12)C1CCC1	386275885	CPUDJJMHCWNWDY-SNVBAGLBSA-N	231.364	4.502	0	10	BJAE	
C[C@H](CNCCC1=CCCCC1)C1CCCCC1	386539337	QXHMVMYRISSFSZ-OAHLLOKOSA-N	249.442	4.683	0	10	BJAE	
FC(F)(F)c1sccc1NC1CCCCC1	390781771	KLPOKJTYVJYGPD-UHFFFAOYSA-N	249.301	4.512	0	10	BJAE	
CCC(CC)(CC)CNc1cc(C)c(C)cc1N	391182498	JZZRRQCVMWSWLX-UHFFFAOYSA-N	248.414	4.514	0	10	BJAE	
c1cc2cc(NCCCC3CC3)ccc2s1	394499570	OUCBTHGFHOAARD-UHFFFAOYSA-N	231.364	4.503	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNc2c(C)cccc2F)C1	394504797	FCANIVVQDUBFRD-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
CCc1ccc2cc(C(F)F)sc2c1C	396228796	VNERIKYUZKCLBE-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CCCCNC(C)(C)C	401615899	NLXHVKGREQJRGB-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C1(CN[C@@H]2CCC23CCCCC3)CCC1	687272579	KXRIUTWJLPLFNJ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CNc2ccccc2SCC)CC1	687551009	NBRDBIUMODUCFM-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)NCCCC2CCC2)c1	689010121	GIACEKSMMVYLPE-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CC(C)NC[C@]1(CC2CC=CC2)CCCC[C@H]1C	692163138	BLOXDIWSCFKVTN-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC(=O)[C@H](C)c1ccc(CC(C)C)cc1	695074242	OETNAOCWOZLJTP-CQSZACIVSA-N	246.394	4.604	0	10	BJAE	
CC(C)=CCCc1cccc2ccccc12	698106199	ZAOQTPZQWPQAES-UHFFFAOYSA-N	210.320	4.739	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H]2CCC23CCCC3)C1	703213691	GCPYHPPGLZZVJT-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCCC(N)(CCC)C1CCC(CC)CC1	707603367	DFVHLEAOGUYWKT-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
C[C@H](C[C@@H](O)CC1=CCCCC1)CC(C)(C)C	709243316	LWFBJHOYGPXCFM-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
CC(C)CC[C@](O)(C[C@H](C)C(C)(C)C)C1CC1	710740413	BBQQQVQMXBBOLM-BBRMVZONSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)C12CCC(CC1)C2	710934870	BKNRVXMBICDITF-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(N[C@@H]2C[C@H]3CC[C@H](C3)C2)cc1	711072147	RWTCCWQGCJHXJN-QLPKVWCKSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CCC(C)(C)CC)C1	711301767	ULBFFOHIZKZYJC-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)CC[C@H]2C)cc1	713012900	FJTJHLXEAMUALS-HIFRSBDPSA-N	231.383	4.622	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC(C)(C)CC)C1	713306515	CNXFOAUHWNXKSL-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC(C)C)CCC[C@H]1C	713345391	AKZYQUOGJXJLDJ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NC	713733691	ZFSVSKQXQOMZPB-UUWJMPJDSA-N	249.442	4.559	0	10	BJAE	
C/C=C/[C@H](C)Cc1ccc(SCCC)cc1	714559564	CJOWKMRZWCKHNU-BPJJOFIESA-N	234.408	4.943	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)CC1=O)CC(C)(C)C	717456321	UQEPFQKRTCJUTF-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC(C)=C(C)CCN[C@H](C)C1CCCCCC1	718520801	QXQFTCSSFGMESI-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC(C1CC1)C1CC1	720958118	YGXPOUXSLVIEJB-INIZCTEOSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1ccccc1C1CCC1	721703726	YMBWQAVDFFUJSN-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C[C@@H]1CC1(C)C	722664449	JRYVJVHAMPCOQG-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2CC(C)(C)C2)CC1	723562595	MLDHLNXELGOMLG-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](NCC1CC2(CCC2)C1)C1CCCCC1	1168510113	SGSDSAVBKGVQGX-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CN(C)C[C@H](C)CC(C)(C)C)C(C)(C)C	1460746314	WXGOKAGXNQETGX-ZIAGYGMSSA-N	241.463	4.673	0	10	BJAE	
CC(C)C[C@H](C)CN1[C@H]2CC[C@H]1c1ccccc12	1559801646	FOJGSRFKMGOPFP-JQFCIGGWSA-N	243.394	4.560	0	10	BJAE	
CC(C)C[C@@H]1CCCN1C[C@H](C)CC(C)(C)C	1653295315	JUBQCTRRTACXBX-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
C[C@H]1N(CCC(C)(C)C)c2ccccc2C1(C)C	1659420871	BEQILFVESKCODL-CYBMUJFWSA-N	245.410	4.609	0	10	BJAE	
CC(=CC[C@@H](N)C(C)(C)C)CCCC(C)C	1900846356	YCDPMIAZOOKBOE-CQSZACIVSA-N	225.420	4.523	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H](C)C(C)C)cc1Cl	1901622080	ASQGBZRLBLXWBV-NWDGAFQWSA-N	239.790	4.741	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1csc(C)c1C	1905399782	ZFYRMTAZQXVFAA-TZMCWYRMSA-N	240.412	4.615	0	10	BJAE	
CC(C)C(C)(C)C=C1CCC[C@H]1[C@@H]1CCCCN1	1912042193	IFHICWYEGLTKGG-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCCNCCC=C(C)C[C@@H](C)c1ccccc1	1912079596	HVFLRJPVNJSZRH-MRXNPFEDSA-N	245.410	4.516	0	10	BJAE	
CC[C@@H](C)CC1(CNC2CC2)CC2(CCCC2)C1	1912565283	MKCGZYKYEMLXOP-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@]1(N)CCC2(CCCCC2)C1	1915902998	SDIXLIYOBWNLLP-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@H]1CCC(C)(C)C	1916013139	DUMNTNHWXFNEDM-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC(C)(C)C)C=CCC1	1916360771	ZQVOECFENHVVLT-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@@](C)(O)c1ccc(CC(C)C)cc1	1919642993	AGHMIAROZNVRAI-WMLDXEAASA-N	248.410	4.529	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC[C@@H]2CC2(C)C)CC1	1921416196	HUWMNXQAQHPVRM-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)[C@@H](C)C1CCCC1	1924078788	PHKYJTKPBRMFRE-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)C[C@@H]1C=CCCCC1	1925892322	SCWJACDTWZCBBS-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2C=CCCCC2)cc1	1925930733	SYJDLTUSVDBMAC-OAHLLOKOSA-N	243.394	4.968	0	10	BJAE	
CCCC[C@H](CC)CC1CCC(C)(N)CC1	1935901442	UPCVQJGVSIAJFP-NFOMZHRRSA-N	225.420	4.501	0	10	BJAE	
CCc1cscc1C(=O)[C@H](CC)CC(C)C	1938822024	LPFHRPPJZFACPD-LLVKDONJSA-N	238.396	4.566	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1ccccc1C(C)C	1940616328	MICMUWNFERFHLX-CJNGLKHVSA-N	233.399	4.636	0	10	BJAE	
CCCc1oc2c([C@@H](C)CC)cccc2c1O	1941146749	MRTHLTKJBQAMDJ-JTQLQIEISA-N	232.323	4.604	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C[C@H]1CCC[C@@H](C)C1	1941265280	VHKSMBFFSUZDHA-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C(=O)CC(C)(C)C(F)(F)CC)C(C)C	1941266108	ZVYUKNXFUJNQCR-LLVKDONJSA-N	248.357	4.699	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)CC(C2CCC2)C1	1942147197	FERRKYXZTLTOHI-IUDNXUCKSA-N	238.415	4.534	0	10	BJAE	
CCCCCCNCC1(C2CCCCC2)CC1	1942577347	LDLLFMUSEBKNTP-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@@H](C)C2CC2)cc1	1944500392	ZUVUWHCKMAIRGV-CHWSQXEVSA-N	231.383	4.658	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@@H]1CCC(C)(C)C1	1945578846	KDJDSOAKNFJAEH-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@H](O)c2cccc3sccc23)CCC1	1945963111	VYSOZURNBCDGFQ-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
Clc1ccc(NC2C[C@@H]3CCCC[C@H]3C2)cc1	1946285744	KJMHNGVKIUWCPN-RYUDHWBXSA-N	249.785	4.721	0	10	BJAE	
CC[C@@H](C)CCN[C@@H]1CCCC2(CCCC2)C1	1946449313	JMGWQUKDAPHBOI-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@]1(N)C[C@H](C)CCC1=C(C)C	1949026243	YCBJZZQBGZGLLH-ZBFHGGJFSA-N	235.415	4.587	0	10	BJAE	
CC[C@](O)([C@H]1CCC2(CCCC2)C1)C(C)(C)C	1949431148	AWEMYEXONNLIHZ-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@@H]1CCC(C)(C)C1	1949516204	GBRLKXFWBIZYLF-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@@H]1CC12CCCC2	1950660668	ZNDFFWINYQROQZ-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](N)[C@@H]1CCCC(C)(C)CC1	1950920176	SPXLQLFFNHXHCM-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
Cc1c(N)ccc(-c2cccc(C(C)C)c2)c1C	1964648637	OQSAVQNTDZBTMU-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCC[C@@H](C)C2)c(C)c1	1968255626	ZWYNHUNMSKDXLP-CZUORRHYSA-N	245.410	4.932	0	10	BJAE	
CC(C)c1ccccc1COc1cccc(F)c1	1968275551	MHFUDDVJQZUFBW-UHFFFAOYSA-N	244.309	4.528	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCC2(CCC2)C1	1968277375	RHMKDAKFJOVELI-CYBMUJFWSA-N	249.785	4.783	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CCC23CCC3)cc1	1968295494	MVGNOHBHYZHEME-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CCCC[C@H](CC)CN(CCC)C1CCCC1	1968778803	GZMGRMLYVUADLE-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
C[C@@H](CNc1ccccc1C1CC1)C(C)(C)C	1969417115	TYBQHERHADUKBM-LBPRGKRZSA-N	231.383	4.658	0	10	BJAE	
CC1(C)CCCC[C@H]1CN[C@@H]1CCC2(CCC2)C1	1970085912	KZMOTJLYMAKELI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)Sc1ccccc1N[C@@H](C)C(C)C	1970345003	VWNFKQNGYBHBND-LBPRGKRZSA-N	237.412	4.644	0	10	BJAE	
CCC(CC)(CC)CNc1cccc(C2CC2)n1	1971662029	KYXQZNSSPHSKRX-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CCCC1CCC(CN[C@H]2CCC23CCC3)CC1	1972259590	OEPPZRVGJIAPND-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](CN2CCCCC23CCCCC3)C1	1972911298	DRKASGVWSLZVGY-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](CCCC(C)(C)C)C1	1982567408	NQPIIVVNBVNNDV-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](N)C1(C)CCC(C)(C)CC1	1983315938	HBDUOLBWHZGHGP-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccccc1Cl	1986949444	YIXJCSXFOFRSQD-GFCCVEGCSA-N	239.790	4.967	0	10	BJAE	
C[C@@H](Nc1cccc(Cl)c1)C1(C)CCCC1	1987600144	YCNDGQDGTICTGJ-LLVKDONJSA-N	237.774	4.721	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)CCC(C)C	1990093547	MFKNTCKDQOHNNB-CABCVRRESA-N	227.436	4.760	0	10	BJAE	
CCC(C)(C)CCN(C)CC(C)(CC)CC	1990872218	BPOFSCBHZUAETJ-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CCC/C=C/CN[C@H]1CCC[C@H](CC(C)C)C1	1995875634	VCWULGLCSMLVOR-ZWOPJXCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](O)[C@@H]1CCCC2(CCCCC2)C1	1996647188	JDVKSJXAKVJCLR-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CCC=CCCC1)C1CC1	1999981360	MZLCHOQLSBDZLF-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](CCC=C(C)C)NC	2000333160	NAGNWZMMNHUERP-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]([C@H](C)CCC)C1(CCC)CCC1	2000388889	YFAZINKVFCWRIJ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@@H]1CC12CCCCC2	2001257479	XEVMLKNIRYSGCR-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2002232269	NGKMLWZIMVRITA-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CCCCCC[C@H]2O)C1	2003101727	YGWIFKBCBNYCFX-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1CC[C@H](C)CC1	2003103902	OQJGNLBWOBTPGL-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCCCC12CC2	2005535813	HWXNGAMUZLSOGL-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)=C(C)[C@@H]1N	2006896823	GOAAVBGHUIYZLS-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H]1NCCC12CCC(CC)(CC)CC2	2009058761	IQHNPZRRMHXTSD-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2(C)CCCCC2)CC1	2009403326	BAQDHBAXDCBGJZ-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@]1(CO)CCCC(C)(C)CC1	2009594794	VTGCZZNSPVJNLE-INIZCTEOSA-N	238.415	4.702	0	10	BJAE	
CCCCCC1CC(N)([C@@H]2CCCC[C@H]2C)C1	2009790961	FOJAANRUJBDFQE-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@@H](O)C1=CC[C@H](C(C)(C)C)CC1	2010723762	WGBNTUYSUWQAFV-UONOGXRCSA-N	238.415	4.556	0	10	BJAE	
Cc1cc(C)c(C(=O)CC[C@]23CCC[C@H]2C3)s1	2011018108	YRUZFYKDDAOJPA-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CC(C)CCCCC[C@H]1CCNC2(CCC2)C1	2011860784	MAAOOSSOWKQJFA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)C=CCC(C)(C)C1	2012050865	GCRKMIJJEIGCJU-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)C[C@H](C)CC(C)C	2013236677	LBXKFAHUOIBQDF-GDBMZVCRSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](CCC(C)C)NC1CCC(C)(C)CC1	2013264743	PLHVRGZDZSRUFU-AWEZNQCLSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@]1(C)CCCC(F)(F)C1	2014954328	KUJYJCBBDCLGQI-DGCLKSJQSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@](C)(CC(C(C)C)C(C)C)C(=O)O	2015277994	KZLOFJRSVOYDOE-HNNXBMFYSA-N	242.403	4.586	0	10	BJAE	
CN[C@H](CC(C(C)C)C(C)C)[C@H](C)CC(C)C	2015290074	HIIDGYAQLWVCGS-GDBMZVCRSA-N	241.463	4.575	0	10	BJAE	
CC(C)C(CC[C@H](N)CCC1(C)CC1)C(C)C	2015358983	BYTWGUKNMMWIKH-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H](C)C[C@@]1(N)CCC2(CCCCC2)C1	2015409427	QPWHOOOYJAVAQS-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC(=O)[C@@H]2C(C)=CCC[C@H]2C)CCC1	2015584199	FLFRVIZKEKFHBT-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)[C@@H](C)CC(C)C	2016144518	KBFBMXPEHYKANU-HRCADAONSA-N	239.447	4.782	0	10	BJAE	
CC(C)(C)C1(C[C@@](C)(O)CCC2CC2)CCC1	2017121801	SXYNLQRPNBFHKB-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@](O)(CC1CC1)CC1(C(C)(C)C)CCC1	2017122132	XHDRMBIYRFDEIS-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(CC2(O)CCC(C)CC2)CC1	2017656755	JODOHDFGAFFPEH-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCCC[C@H]2O)CC1	2017714269	DASPIYJYEVXHPX-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CC1CCC(CC)CC1	2017776325	NLWYNGCIDSVQIA-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@@H]1CCCC[C@@H]1F	2018181488	KOSYOWCEJQBYDJ-SOUVJXGZSA-N	243.410	4.558	0	10	BJAE	
CCCCN(C1CCC(CC)CC1)[C@@H](C)CC	2019163982	NEKFPLQGOMBHEQ-FHERZECASA-N	239.447	4.856	0	10	BJAE	
CCC(CC)C[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2022995457	UKXGLOBXOBJMEN-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)C[C@@H]1CCCC(C)(C)C1	2024126762	ZBVRJMMZGKHRQD-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCNC12CCCC2	2024625168	ZSOPIYOKRZORKH-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCC[C@@H]1C[C@H]1C	2026073468	HTQRFRLDSALKKS-RRFJBIMHSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)C1CCC(C)CC1	2026141747	GOLJKSCOMHLABI-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H]1C[C@@H]1C(C)C	2026169625	JUSYJNDXEQGNOD-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CC1(CCCNc2cccc3c2CCCC3)CC1	2027841706	BICOZJWWUZFWKQ-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CCCc1ccccc1[C@H](C[C@H](C)CCC)NC	2027903674	OQHCIOGTPWRGMK-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1ccc(C(C)C)cc1	2028236060	VZVMAYDIQZYUOB-IAGOWNOFSA-N	248.410	4.916	0	10	BJAE	
CCCc1ccc([C@H](NC)[C@H](CC)C(C)C)cc1	2028253472	XDMBCTFSFHPBKI-SJORKVTESA-N	247.426	4.582	0	10	BJAE	
CC(C)(C)NC[C@@H]1CC[C@H]1CC1CCC=CCC1	2028875017	BOIYEAJNBPMQLM-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)c1ccccc1C1CCC1	2029078578	PETSAYDXIPDNHL-ZDUSSCGKSA-N	242.362	4.573	0	10	BJAE	
CCC[C@@](O)(c1ccccc1)[C@@H](C)CCC(C)C	2029834919	BNLDOZZQNCWRFO-RDJZCZTQSA-N	248.410	4.747	0	10	BJAE	
CC(C)[C@H](C)[C@@H](O)c1ccc(C2CCCC2)cc1	2031747634	WPUQQUJPFFJOEY-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CC(C)=C(C)CCN1CC=CCC12CCCCC2	2032660073	AXPVCWIXDHMTNT-UHFFFAOYSA-N	247.426	4.698	0	10	BJAE	
CNC[C@@]1(CC2(C)CCCCC2)CC12CCCC2	2036101823	VCPVKXBJSCRSOF-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CN(C[C@@H]1C=CCCCC1)[C@H]1CCCC(C)(C)C1	2036780075	MXUQKRAIXMDEGG-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CCCNC[C@@]1(C2CCCC2)CC12CCCCC2	2038998717	FAWOWWRGXGILJT-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C=C(CNC(C)C)C(C)C	2039434160	HNWBKNWMPOUVEV-DOTOQJQBSA-N	249.442	4.559	0	10	BJAE	
N[C@]1(CC2CCCC2)CCCC2(CCCCC2)C1	2040763414	PMMIQGZSGYUWCC-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H](NC[C@@]1(C)CC=CCC1)C1CCCCC1	2042068501	YECDJKXSTDUNOL-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)[C@@H]1C=CCCC1	2043188206	RRDWADCJLBEBGW-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H](C)N(C[C@H]2CCC=CCCC2)[C@H](C)C1	2045312747	QHFHWCIUTMMLKZ-NXOAAHMSSA-N	249.442	4.632	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@H]1CCC=CCCC1	2045317974	QOQFDJQXCPGKCU-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1ccc([C@@H]2C[C@H]2C)o1	2045559232	VAPBEAFGIHUMRA-VXGBXAGGSA-N	248.366	4.658	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CCC[C@H]2C)cc1C	2045560310	MEZTWVWPLWYAJV-ABAIWWIYSA-N	244.378	4.621	0	10	BJAE	
CC1CCC(CN)(C[C@@H]2CC23CCCCC3)CC1	2047012248	NFVBVENQZSZVPV-HWOWSKLDSA-N	249.442	4.502	0	10	BJAE	
O=C(CC1CCCC1)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047425034	QSAMSUAECOJTQO-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@H]1[C@H]2CCCCC[C@H]21	2048447458	WDIUKJWTXJEWHD-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CCC2=CCCCC2)C1	2049499398	UKLGXSCVLZQXBG-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C)cc(C2(N)CCCCCCCC2)c1	2049679509	WWBRWRAAEBIQAP-UHFFFAOYSA-N	245.410	4.592	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1CC1CCC2(CC1)CC2	2049847326	APVPCHSGDOYZGP-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC2(CC2)C1)C1(CC)CC1	2049853727	FSUIYVPLYYQYOC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2CCCC3(CC3)C2)C=CCCC1	2049999393	CDNYKZWSWMPVFM-GOEBONIOSA-N	246.394	4.662	0	10	BJAE	
CN[C@H](CCC[C@H]1CC1(C)C)[C@@]1(C)C=CCCC1	2050005303	FLYGCBUKMRPXBO-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@@H]2CC2(C)C)cc1	2050461261	SOKTWHGAJBWPJG-OAHLLOKOSA-N	244.378	4.784	0	10	BJAE	
CCc1ccc2[nH]c3c(c2c1)C[C@@](C)(CC)CC3	2051618815	WVYRUVUBECIABM-KRWDZBQOSA-N	241.378	4.635	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@@H]1CCCCC12CCC2	2053362384	ZRVJUKNHJSBTRD-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@H]2C=CCCC2(C)C)C1	2055534739	CRHFLWONIDPHRT-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2C[C@H](C)CC(C)(C)C2)CCC1	2055551764	IVQXGKMTSFMRDJ-APHBMKBZSA-N	249.442	4.680	0	10	BJAE	
CC1=CCCC[C@H]1NC1CC(C)(C)CC(C)(C)C1	2055672150	PTAQKYFOFBNWNW-OAHLLOKOSA-N	249.442	4.680	0	10	BJAE	
Cc1ccc(NC[C@@H](F)C2CCCCC2)c(C)c1	2058028797	ATBXQAVUCMMDJB-OAHLLOKOSA-N	249.373	4.634	0	10	BJAE	
CC=CCCC[C@@]1(CNCCC)CCCC12CC2	2059252502	IVHDYQSQFGKAGA-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@H]1CC=C([C@](C)(N)[C@H]2CCCC(C)(C)C2)CC1	2060912922	HXRHGPQRDOUBBF-QRTARXTBSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H](N)[C@]2(C)CC2(C)C)CC1	2061100384	WIYLKWSSKSVWGZ-CPUCHLNUSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC2(C1)CC(O)(C1=CCCCCCC1)C2	2061129847	ZVNKNKMDIWMFFK-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@H]1CCCCCC12CC2)[C@@H]1CC1(C)C	2062019886	KYYLHXSNJVNCBD-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@@]1(N)C=CCC(C)(C)C1)C1CCCCC1	2063635596	LQDDYTXACPXOGZ-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C23CCCC2CCC3)C1	2063812863	KIDXJYQQBPTVKG-FYKOZOLNSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)NC1C[C@H]2CC=CC[C@@H]2C1	2065989893	IMEDNTZREMUOIL-BZUAXINKSA-N	249.442	4.536	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C)c1ccccc1C	2065990371	MZCNVJIWPSMXNB-CVEARBPZSA-N	247.426	4.860	0	10	BJAE	
CC(C)c1cccc([C@@H]2CCC[C@@H](C(C)C)N2)c1	2066380155	FOTSIXVYSLHJKQ-IRXDYDNUSA-N	245.410	4.649	0	10	BJAE	
CC1(C[C@]2(CNC3CC3)CCC2(C)C)CCCC1	2068242887	JCGVCXYJKPOUHA-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C[C@]23CCC[C@@H]2C3)CC1	2070926315	MFLBZINIWWXHGL-DJIMGWMZSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@@H]2CCCCC23CC3)CCC1	2071949901	MDZPHJUYUKOYBP-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CC2(CN)CC3(CC3)C2)CC1	2072798274	IECWANLPUMIVPO-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H]2[C@H]3CCC[C@H]32)CC1	2072875849	STFNQHVWHFQTDX-YWULMLBCSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(CC(=O)C2[C@H]3CCCC[C@H]23)CC1	2072882061	QZRXYOAZFJHRLQ-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1ccccc1CC	2077188894	BQVHVEZHJNWGKK-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
N[C@@H](C1CCCCCC1)[C@H]1C[C@H]1C1CCCCC1	2079833247	SBVUNTAEHQROSA-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@@H]1C[C@@H]1C1CCCC1)CC1CCCC1	2079867908	WHRRGTRZPJQSCC-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)C[Si](C)(C)C	2212586118	HNGHZCDSEWAVCA-UONOGXRCSA-N	243.511	4.519	0	10	BJAE	
CCc1cc(Cl)ccc1NCC(C)(C)CC	2212645902	ZIGPAMRPRAEFPE-UHFFFAOYSA-N	239.790	4.751	0	10	BJAE	
CCCCC(=O)CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213307328	SAEGENMCURGBEW-FICVDOATSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](C)[C@H](CCCCCCC1CC1)NC	2213574406	SWLWQVBYSJJFIB-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CCCCC2CC2)C1	2214569189	LVAOVPWDURWIRA-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
N[C@@H](CCCC1CCCCC1)C1CCCCC1	2214781048	SHCJXDNCHMCKNG-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@]1(CN[C@H](C)CC)CCCC12CCC2	2217134311	CJXFHFBAYIIDJU-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218377287	DWGNHYALGYYINY-RZLSGREXSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)[C@@]1(C)C=CCC1	2218721896	WLUDYBKVZQBQBK-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)C/C=C/c1ccccc1	2219050279	SYAQCQWRKRMWLE-MIJBNRBISA-N	246.394	4.667	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@H]1CC(C)=C[C@@H](C)C1	2220044461	FRXHHIMPFJFEDG-KBRIMQKVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1CC)[C@]1(C)CC=CCC1	2220874648	CMXYISJZIGYFAD-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@H]2CC[C@H](C)CC2)CC1	2221623272	LAAGKXNAIALWGO-DZUCGIPZSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@@]1(C)CC=C(C)CC1	2221642122	BRXZGCPDFFIXDY-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(C2=CCCCCC2)C1	2222255847	HGFKSIJZHQOLLB-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
NCC1(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCC1	2222973631	QWNPSVYJMGIBLY-OAGGEKHMSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CCC2)CCCC12CCC2	2223588394	HCRGNWWLHMWEGS-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCc2cccc(C)c2N1	2246635544	KZNVVUNRKDQLRS-AWEZNQCLSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@H](CC)N(C)CCCC[C@@H]1C[C@@H]1C	2247165386	QVVXHPFJEIXAAC-XHSDSOJGSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC1=CCCCC1	2247460394	BBRRIHUFEKYEDW-GDBMZVCRSA-N	237.431	4.811	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](O)C1CCCCC1	2248806637	GMMZKPZNCGHWKC-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](O)CCCCC[C@H]1C[C@@H]1C	2248814117	LCJILALMVILUQD-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)CCC(C)(C)C	2248818673	DKLHJXGPNKALBN-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@](C)(CN)CCCCC[C@H]1C[C@@H]1C	2248838205	HLDDWWDRPVPMOC-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H](CC)CNC[C@@]1(C)CC=C(C)CC1	2250383727	KSNRIUHGTZTTGL-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@H](N)CC(C)C	2250478824	MRJHWIHPKMGRFV-CVEARBPZSA-N	241.463	4.993	0	10	BJAE	
CCC(CC)N(C)CC[C@@H](C)CCCC(C)C	2250515487	ZGWRKOZJTORMQL-HNNXBMFYSA-N	241.463	4.959	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)CC2(C)CCC2)C1	2251534739	JSLOPIOHMKAVCL-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCN[C@@H]1CC(C)(C)CCC1(C)C	2251675861	VCGZUZTVLFXXTN-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@H]1C(=O)C(C)(C)CCC1(C)C	2251713044	QEKBXIWZTVZJAX-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1C[C@H](CC[C@@H]2CCCCC23CC3)C[C@@H](C)N1	2253858375	VPRDZKCVTILHJV-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)[C@@H]2CC23CCCC3)C1	2253939932	WQQNWWNFVJNVPY-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](CC[C@H]2CCC[C@H](C)C2)CC1	2253993908	BCPXHNKMJVHBMK-IEAZIUSSSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc([C@H](O)CCCC[C@@H]2C[C@@H]2C)c1C	2254577653	ALGRDQVFJRTHKN-YSVLISHTSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CC[C@@H]1CN1CCCCC12CCCCC2	2254912839	FZYHSXLIMPKXMU-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCCN(C[C@H]1CCC12CCC2)C1CCCC1	2254991102	XKUYARSWCWHELC-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@]1(C)CC=CCC1	2255142059	RUEYXVHEIILAAK-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCc1cccc(OCC[C@H]2CCCC23CC3)c1	2255310606	KNBCUONFZRMVHW-OAHLLOKOSA-N	244.378	4.598	0	10	BJAE	
Cc1ccc(NCCCCC[C@@H]2C[C@H]2C)cc1F	2257325355	OVNWEDXTRUTQLG-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
N[C@@H]1C[C@@H]2CC[C@H](C1)[C@H]2CCCCCCC1CC1	2258026655	JSDALDURFRWKRQ-ZYGGUILKSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H]3CC[C@@H]32)cc(C)c1C	2258240518	DEFRAQURBZVSHA-BHYGNILZSA-N	243.394	4.602	0	10	BJAE	
CCC1CCC(CC(=O)[C@@]23CCC[C@@H]2CC3)CC1	2260513057	RRAIWIBWMZRMNJ-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@@]23CCCC[C@H]2CC3)C1	2260638495	NPJATVQPFJWOES-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@]12CCC[C@@H]1CC2	2260669741	IWFZPIRLHOXGKN-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC1CC1)Nc1cccc(C2CCCC2)c1	2260734973	FSJKJSNVRGXMPO-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
CC(C)(C)CC1CC(CN[C@]2(C)CC=CCC2)C1	2261200172	ZIEAWACWLJYXBQ-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H](NCCC)[C@](C)(CC)C(F)F	2299828216	HYJBGORNSHNDMK-JSGCOSHPSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1cc(C2CC2)ccc1Cl	2300674646	XBJPNTBDLZLWSN-QMTHXVAHSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CC[C@@]1(O)C[C@H](C)CC(C)(C)C1	2300680627	GKCQVWZGEWENHE-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCC1(CNC)CC(C)(CC)C1	2300694648	IIVZEMYTHIRWKM-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H]1CC(C)(C)C[C@@H]1CC=C(C)CC	2300898544	FSIBOOCVQHLNSC-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CCC[C@H](C(C)(C)C)C1	2300902656	WZWFIJUPBUHUSK-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](CNC(C)(C)C)CC1CCCCCC1	2301188625	MWOTXGZJYAWIPQ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(-c2ccnc3ccccc23)cs1	2301460065	QBLQKWVCQYGQEA-UHFFFAOYSA-N	239.343	4.526	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@H](C)[C@@H](C)C(C)C	2301868395	YYBJFUGVCFSWMZ-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CN[C@H]([C@@H](C)[C@@H](C)C(C)C)C(C)(C)C(C)(C)C	2301952712	KMDMGHIJNCPPMW-MELADBBJSA-N	241.463	4.575	0	10	BJAE	
O[C@H](CCCCC1=CCCCC1)C1CCCC1	2302352167	QKUJWBOORPPCQY-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)CCCC1=CCCCC1	2302362063	UWMCHZZJZCFMQB-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](O)CCCCC2CC2)C1	2302580651	UJYMTXIJJMCCED-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CC=CCCNC(C)(C)C)C1	2302759882	CHRWXHZRVKPBRY-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CCC1(N)CCCCC1	2303463348	ZCJKQYWSNQNXAM-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C(=O)C[C@@H]1CC[C@H]1C(C)(C)C)C(C)C	2303472808	CMIKQDLDYVKKIL-MELADBBJSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC(=O)CC1CCCC1	2303474947	IRISUCDXUMQEDF-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CCC[C@@H](O)C(C)(C)C)CC1	2303594694	KQKGCJPQCGTPSG-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H](C)CCCC(C)C)CC1	2303603462	SVNLQRKDFUHZDL-HOTGVXAUSA-N	237.431	4.680	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC)CC[C@H](CC)C1	2307764428	XCZYFBGQAZBSKH-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@H]1CC1(C)C	2307892703	FQDONOBSSVHVJV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309168105	PKZFEDBZXWXNPG-DMRKSPOLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]2C2CCC2)C1	2311478758	YHWJPQFNYPXALP-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](NC)[C@@]1(C)CC=C(C)CC1	2312521268	QMFZHJFYUNLPFT-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)[C@@]23CCC[C@@H]2CC3)CCC1	2313290213	WLLCULCFICHVQV-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N(C)[C@H]1CCCC2(CCC2)C1	2313648479	PXJBMQWRBSSJPT-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1[C@@]1(N)CCCC2(CCCCC2)C1	2317083901	PUDWCQMHJWMZQA-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)c1ccc(C2CC2)cc1	2317831285	NBECUHUEECFPHY-STQMWFEESA-N	244.378	4.675	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H](C)CCC1CC1	2317927641	LBZONFUBLLDABW-GFCCVEGCSA-N	249.373	4.940	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCCC[C@@H]3C[C@H]32)C1	2319459062	RVCSJMRQEOEOBG-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1N[C@@H]1CCCC12CCCC2	2320134223	KRCDLZBYVQAYCM-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(CC(C)C)CCCN2)CC1	2320348066	NBJHPGZNNYMBGX-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)C2CCC(C)CC2)CC1	2320408805	NWOKTHXKEHLVGE-PWZRNIHTSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC(C[C@](N)(CC2CC2)C2CC2)CC1	2320734495	FMNZVYYRWPBQJM-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2C[C@H](C)CC[C@@H]2C)c1	2321083193	OWFBEXORFQNNBC-BFQNTYOBSA-N	249.373	4.625	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCCC[C@@H]2CC)c1	2321083751	BVPULTGYIIBKMF-XJKSGUPXSA-N	249.373	4.769	0	10	BJAE	
CCCCCCc1ccc(C(=O)CC2CC2)cc1	2327894371	RFCMRSTUBIVRFH-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
Cc1cc([C@@H](C)NC2CCCCCCC2)c(C)o1	20437857	DPBRCVRHKCEJLF-CYBMUJFWSA-N	249.398	4.660	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCc2ccccc21	20520253	SCYNCCXRKFTMNA-PBHICJAKSA-N	245.410	4.622	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2CC=CCC2)cc1	20557373	WQFXTLNRSRHGJM-CQSZACIVSA-N	229.367	4.578	0	10	BJAE	
CCCCc1ccc([C@@H](N)CC2CCCC2)cc1	21509012	REQSHVNMJYBDDF-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCc1ccc(N[C@H](C)c2ccc(C)s2)cc1	21819947	LECUUUKLMJLLKD-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
C[C@H](Nc1cc(Cl)ccc1F)c1ccccc1	35083570	ZOAUJYGSQXPGPP-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H](C)CC)cc1	36953306	KBKPKRNXRYIKOL-OLZOCXBDSA-N	219.372	4.658	0	10	BJAE	
C[C@@H](Nc1cccc(Cl)c1)C1CCCCC1	37202477	XWRVZPWHYBKHMZ-LLVKDONJSA-N	237.774	4.721	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)CCCC	37318099	SBNKULMBFJFWLL-UONOGXRCSA-N	213.409	4.514	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)c1ccccc1Cl	50399686	ZZDLDLBVVJWMMI-VXGBXAGGSA-N	239.790	4.569	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)C2CCCCC2)C(=O)C1	69405920	UTINABBQZYQQAJ-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](CC1CCCC1)NCCC	78821301	QQBOWGAZFRNGJZ-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCC1CCC(c2ccc(F)cc2)CC1	80264545	RDOASJCZYVRACC-UHFFFAOYSA-N	206.304	4.510	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCC2CCCC2)CC1	86904613	NLEYSSUQBFMMFA-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](Nc2ccc(F)cc2)CC1	86922605	BMCFYYUVRPSNIQ-DZGCQCFKSA-N	249.373	4.843	0	10	BJAE	
CC(C)[C@@H](O)C1CCCCCCCCCCC1	92601426	FTMPTDQMLZWPGG-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@@H](CNCC)c1ccccc1C	93104381	WXUFUOBSSFARMJ-INIZCTEOSA-N	247.426	4.659	0	10	BJAE	
CCC(CC)[C@H](N)C(CC)(CC)c1ccccc1	94676557	KABWNFVXTMNTKK-INIZCTEOSA-N	247.426	4.508	0	10	BJAE	
CCCCCC[C@@]1(N)C[C@H](C)CC[C@@H]1C(C)C	103933633	NIDOXEUCKIIKQZ-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(C)c(Cn2ccc3c(C)cccc32)c1	128859247	PXDCTDNOIPTLOV-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)c1ccc(C(C)(C)C)s1	166226499	GDFOTQQAWFCKAN-GHMZBOCLSA-N	240.412	4.515	0	10	BJAE	
Cc1ccc(O)c(-c2cccc(CC(C)C)c2)c1	166353570	SVKBFJAHHMCXBM-UHFFFAOYSA-N	240.346	4.566	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)(C)C)C1CCCCC1	167196268	ITTBXPOLVKXKNY-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@@H]1CC(CC)CC	167559856	PJWFSJLGOCZALA-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
C/C=C\c1ccc(Oc2ccccc2)cc1	202715471	KMXNDIIXFIUZSH-KXFIGUGUSA-N	210.276	4.512	0	10	BJAE	
CCCCCCC(=O)c1cc(C)c(Cl)s1	226657685	XDIYMEZTOXOAJR-UHFFFAOYSA-N	244.787	4.863	0	10	BJAE	
CCCCCC[C@]1(N)CCC[C@@H](CC(C)C)C1	230788553	YJFFQKQEOXOIGL-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@H]1[C@@H](C)CCC	233076384	GPSUQEXTIMKXSD-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C1=CCCCC1	233123441	FQTZRVZENZUPIU-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2ccc3c(c2)CCCN3)C1	233964610	XSNCEBIWBIWLDK-KGLIPLIRSA-N	243.394	4.729	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@H](C)CC[C@H]1C	250824238	MQXQJYVVECQMGR-LVQVYYBASA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCC(C)(C)C2)CC1	253303049	RHMYELKPFIDFPU-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](N[C@@H]1C[C@H]1CC)c1ccccc1	300581946	DBBISHDEJXWULZ-HYVNUMGLSA-N	245.410	4.696	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H](C)CCCC	300936671	NGQJQOLEFXBYMN-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CC(C)(C)CCCCCC(=O)c1ccccc1	304136575	DMURUANBXLVMTI-UHFFFAOYSA-N	232.367	4.866	0	10	BJAE	
CC(C)(C)[C@@]1(CCC2CCCCC2)CCCN1	305898614	WLVIOSMOLNPOEZ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)C[C@H](C)C(C)(C)C	305910051	HVEGWKXQTSOVQX-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCC[C@]1(C[C@@H](C)CC(C)C)CCCCCN1	305935024	KNVGZWNAYIKEPP-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)Oc1cccc2ccccc12	306105189	RXMRVAZMIYYGAM-ZDUSSCGKSA-N	228.335	4.653	0	10	BJAE	
CC1(C)CCC(CC(=O)c2cccc(F)c2)CC1	381029176	SBAWGLJSGXOKDY-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CC(C)CCCCC[C@@H](C)[C@@H](N)c1ccccc1	383370877	JHJRHBCFQLOJHP-NVXWUHKLSA-N	247.426	4.929	0	10	BJAE	
CCN[C@H]1CCCC[C@@H]1CCCCCC(C)C	383394670	PWXROJDCRKWILI-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H](C)C1CCCCC1	384180878	ZIJMFLANZUZLRF-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
C1CCC(C[C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1	385961411	FJKJZTGCVPMALQ-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(Nc1cccc(C(F)F)c1)C(C)C	386244929	ZEAXQBYUEKPLSM-UHFFFAOYSA-N	241.325	4.717	0	10	BJAE	
CSc1c(C(F)F)cc2sccc2c1F	396233682	FFYYMGAIGXCMBP-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1c(F)ccc2cc(C(F)F)sc12	396255189	UIZATZOFNAFOIX-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
C[C@@H]1C[C@H](CCC2CCC2)Nc2ccccc21	398628090	IRFSPYIUXWFZMR-OCCSQVGLSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1cccc(F)c1C	399029070	XJZZXKJEUIDTRL-TZMCWYRMSA-N	248.341	4.533	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)C1(C)CCCCC1	402141232	JCDHKSJEOYTGEQ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(N[C@H](C)C(C)(C)C)cc1	687794231	QWIVZKXCGHKLCR-GFCCVEGCSA-N	219.372	4.657	0	10	BJAE	
O=C(CCCC1CCC1)c1cc2ccccc2o1	688844671	JLEQJJMPAZSNNH-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCCC[C@H](C[C@H](CC)CC(F)F)NC(C)C	688848360	AEFQZWKPWMRJIL-QWHCGFSZSA-N	249.389	4.615	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)CC1CCCCC1	689831193	BUXBZPRRXNJMKU-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC[C@H]1C(C)C)C(C)C	691166961	NUYBOWWSBSFVRF-JYJNAYRXSA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)C1CCC(CN)(CC2CC=CC2)CC1	692042506	KIKWPJZPTJTPSW-UHFFFAOYSA-N	249.442	4.524	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)CC1CC=CC1	692060848	QETDCKNIINDCGR-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@@H]1CCCC2(CC2)C1	695980998	CLGWDTUEDQWRAA-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC(C)(C)CC	697257761	GCTPDEDKAFVWRJ-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CCC[C@H]1C	697762057	RPNJNZWDJXVJEU-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCCCC[C@@H]1C(C)C	701093955	HESDPTCZNGGUAL-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CCC(C)(CC)CC)C(C)(C)C	701153463	FVWDAMYPPHAGOE-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCc1cccc([C@@H](O)[C@@H](C)CC(C)(C)C)c1	704687265	WHRLEIAIWCDJLE-BBRMVZONSA-N	248.410	4.745	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1CCCC[C@@H]1C	704961836	BFEGSKWDGWSYSI-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC[C@](O)(C[C@H](C)CC(C)(C)C)c1ccccc1	709070554	GLTYIHRICTWGFS-PBHICJAKSA-N	248.410	4.747	0	10	BJAE	
CC(C)NC[C@H](C)[C@@H](C)C[C@@H](C)CC(C)(C)C	709074321	BKOWUYROOQOADG-ILXRZTDVSA-N	241.463	4.719	0	10	BJAE	
CCc1cccc(C(F)(F)F)c1C(C)(C)C	709861649	NGXOGJLARIQVPH-UHFFFAOYSA-N	230.273	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C2CCC3(CC2)CC3)C1	709976610	IMKIJYLATPVGJK-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C[C@@H](N)C1CCC(C)CC1)C(C)(C)C	711114176	QVBFZHODGHCEKY-PFSRBDOWSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1C[C@@H]2CCCC[C@H]21	712510787	SQCBJJZHBNTWIE-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	713126001	MQIRNZBUCCYAIY-DVOMOZLQSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)/C=C1/CCC[C@@H]1[C@H]1CCCCN1	713151208	IFHICWYEGLTKGG-YNLMUAPZSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(N[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1	714305249	SDXFEHMSEFZUGK-DJIMGWMZSA-N	249.442	4.658	0	10	BJAE	
C/C=C/C[C@H](C)c1cc(C)c(C)cc1F	714559367	SQDNQHQFVQEKBY-PORFMDCZSA-N	206.304	4.512	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@@H]2C[C@H]2C2CC2)C1	714805200	NBNMNTVRUWGURT-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CCC(C)=C(C)C)NCCC	718573784	QLXVMCUAEMLNFZ-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CCC(CC)(CCCC(C)(F)F)CNC(C)C	718687409	QVVVFFSTWLJBMD-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
C[C@@H](C[C@@H](O)CCCC1CC1)C1CCCCC1	720160949	KZBNUBMYQXFSMU-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1CCCC2(CC2)C1	723598775	DORFKFVQIWJROX-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H](C2CCCCC2)C2CC2)C1	723946770	GYPPXVFMYSFEKV-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
c1ccc2c(c1)CC[C@H]2SC1CCCCC1	1164659967	NKRJMYNPNRCUKR-OAHLLOKOSA-N	232.392	4.740	0	10	BJAE	
C[C@H](CN(C)CC1CCCCCC1)C(C)(C)C	1560127439	OSCRBMAVAFXQAR-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1C[C@H](C)CC(C)(C)C1	1656865609	NQUAJTSWPQKLML-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)CN[C@H]1CCCCC12CCCCC2	1875413530	BXUKQPRYRJRLAZ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC[C@](C)(O)C1(Cl)CCCC1	1901864181	KILMORVKGGRJGU-ZDUSSCGKSA-N	246.822	4.505	0	10	BJAE	
CCCCC1CCC(N)(CC(C)=CCl)CC1	1911758881	NHZVKTQTCJKTGZ-UHFFFAOYSA-N	243.822	4.597	0	10	BJAE	
C=CC=CCCCc1ccc(F)cc1Cl	1911783126	MAOWPKIRPYPUOO-UHFFFAOYSA-N	224.706	4.544	0	10	BJAE	
CCC=CCN[C@@H](C)c1ccc(CC(C)C)cc1	1911948756	HBQDVXUIWLFDFI-HNNXBMFYSA-N	245.410	4.502	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC1CC2(CCCCC2)C1	1912698364	SPAGJNGOAABPKF-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](C[C@@]1(CNC2CC2)C=CCCC1)C(C)(C)C	1916564303	OFONSGHARYXGTR-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C1=CCCCCCC1	1919963501	YSXMUYMBFWVATN-HOCLYGCPSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@@H]1CC[C@H](C)[C@@H](C)C1	1920197880	PQMLNZRCKSFZGG-RFBLXINOSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC[C@H]1CC1(C)C	1921561237	GDQKEGWFAJUZII-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@@H](C)C1CCCC1	1924129925	JQZQWCDHGPJSQP-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)[C@@H](C)C1CCCCC1	1924130449	OOWNCMDXXWPYRD-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@H](C)C1CCCC1	1924134876	GLEXNCBPLZIBSM-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@H]1C=CCCCC1)C(=O)c1ccccc1	1925763787	RQQFJVULNVQFFF-CABCVRRESA-N	242.362	4.642	0	10	BJAE	
CCC(CC)CC(=O)CCCC(C)(C)C	1926205397	PBBMPXQAFCGZIU-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCc1ccc([C@@H](N)CC(CC)CC)cc1CC	1926389295	JMZDJYJFSALTCQ-KRWDZBQOSA-N	247.426	4.638	0	10	BJAE	
C[C@H](CC[C@@H]1C=CCC1)C1CCCCC1	1932597041	YVJBYGFMKGOFSN-ZIAGYGMSSA-N	206.373	4.949	0	10	BJAE	
CC(C)=C(C)CCc1ccc(C2CC2)cc1	1936405361	KCTUQEYSAXNKOH-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H]1CCC[C@H](C)CC1	1939898892	LVEWOCPGPVOGCU-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CCC[C@H]1CC1(C)C	1940880737	BNIWTWNYYIHPBD-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CC1(C(=O)CCC[C@H]2CC2(C)C)CCCCC1	1940884866	ZUPYTCBBDJJLQN-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC1(C)C(C(=O)CCCCCC2CC2)C1(C)C	1941582597	YENJFJAPESVUJO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H]1CCC12CCCCC2	1942813947	ZCQWUIOCFGWFLT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cccc(C2(C)CC2)c1	1944600013	KXRQYUGVMQHEMC-OLZOCXBDSA-N	231.383	4.585	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1CCC(C)(C)C1	1945601945	YQWTUZQYELZAGH-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC(F)(F)CC)CC(C)(C)C	1947882661	DIIGXCVUDMTWEW-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CCCCC12CCC2	1947900778	OQRHDGKSFXGDMC-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CCC[C@@H]1CC1(C)C	1948325684	HQTWTQFMKVHIBH-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)[C@@H](C)CC(C)C)C1	1948328928	XLKHVDRLHIAIRA-JJXSEGSLSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(Cl)ccc1NC1C[C@@H]2CCC[C@H]2C1	1950298325	RSOZABQNPVNOOZ-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCCC(C)(F)F)CC1	1950930705	QUUHLNRJEWGFDF-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CCC[C@@H](CC)C1	1963238400	RIAKDWGTCCUJFM-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(N[C@H](C)C2CC3(CCC3)C2)c1C	1968255272	UQULOLWXCQRHRZ-CQSZACIVSA-N	243.394	4.684	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2CCC3(CC3)C2)cc1	1968293479	KWFIIYPWDLTREC-AWEZNQCLSA-N	243.394	4.802	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)cc1F	1968320122	ICVSALBITAVKGM-AGGWBTHJSA-N	247.357	4.515	0	10	BJAE	
CCc1ccccc1NC1C[C@H]2CCCC[C@@H]2C1	1968360164	MTRJSSYLXUEGQD-HUUCEWRRSA-N	243.394	4.630	0	10	BJAE	
CCCN(Cc1ccc(C(C)C)cc1)CC(C)C	1968779699	UGTJXFMWYXRLFV-UHFFFAOYSA-N	247.426	4.678	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@H]2C(C)C)ccc1C	1969678932	GHCXEIBEBYQXDV-DLBZAZTESA-N	245.410	4.794	0	10	BJAE	
CC1(C)CCC[C@@H](NC(CC2CC2)CC2CC2)C1	1969843759	GVIGQKGTIPNSQK-OAHLLOKOSA-N	249.442	4.514	0	10	BJAE	
c1cc(C2CCC2)ccc1NCC1CC2(CC2)C1	1969958334	GQGFCDFLPDZDNK-UHFFFAOYSA-N	241.378	4.556	0	10	BJAE	
CC[C@@H](NC[C@H]1CCCCC1(C)C)c1ccco1	1970081083	BGEPEJKYTGBCLC-ZIAGYGMSSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCCC[C@H]1CN[C@@H]1CCC12CCCC2	1970081145	BSEPLDFMTYZTGB-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NC1CC2(CCCCC2)C1)[C@@H]1CC1(C)C	1972536748	XUEOKBBOTLIPPZ-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)CN[C@H]1C[C@@H](C)c2ccccc21	1973315674	LBZMOXYNDRVKPP-CJNGLKHVSA-N	245.410	4.651	0	10	BJAE	
CCCCCN(CCC(C)=C(C)C)C(C)C	1978894737	UPUAEUVNVAJRDX-UHFFFAOYSA-N	225.420	4.633	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)CC(C)(C)C	1981286923	IVNONKFVSCDTRX-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)[C@H](O)C1(C)CCCCCCC1	1981417212	XZFWEMKVUDNTFO-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1CC(CC)C1	1983355015	PKJMEDJBXGXWNY-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)N[C@H](C)C1(C)CCCC1	1987620609	KBVAMCPZMZXQDO-CYBMUJFWSA-N	225.420	4.514	0	10	BJAE	
CC[C@H](CNc1ccc(SC)cc1)C(C)C	1988766216	AGYVPPRDCDVQCZ-GFCCVEGCSA-N	237.412	4.503	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cncc(Cl)c1	1990099968	ZXUGBZDZMWLGMA-GFCCVEGCSA-N	240.778	4.506	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCC(C)(C)C	1990128172	WGMHMEGNZDYFOU-AWEZNQCLSA-N	227.436	4.713	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@]1(C)CCCC[C@H]1C	1995646122	YVURUFRTHUXFTB-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CN[C@H](C)C1(C)CCCCC1)C(C)C	1995985725	LKMPIICMUXRBSU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)C1CCC(C)CC1	1996611897	GANUVDVNHHSPRR-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)C1CCC(C)CC1	1996615403	HRHDNQIOZUAEMI-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@]1(N)CCCC2(CCCCC2)C1	1996646105	BERAFAXGTRMVKH-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCCC2(CCC2)C1	1997044423	YWLRYFGNAKXOOE-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCCC(F)F)CC1	1997103869	IBFWQEMCHFKIHN-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCCCCC(CCCCC)NC1[C@@H]2CC[C@@H]12	1997486692	ZBVZKKDDZVLJFS-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC1CCCCCC1	1998380013	KFCYGUZUJMJXII-AWEZNQCLSA-N	235.415	4.578	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1CCC=CCCC1	1999984149	VCXWLQKCFKZIKG-GJZGRUSLSA-N	236.399	4.908	0	10	BJAE	
Cc1cc([C@@H](N)C[C@H]2CCC=CCCC2)cs1	1999990605	LFSGZSQZHLWAMZ-ZFWWWQNUSA-N	249.423	4.583	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@H]1CCCC(C)(C)C1	2000161007	BSVBKALWUBZEFQ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@@H](N)[C@H]2CCCC(C)(C)C2)CCC1	2000177757	CFSKNLGJFVRMHX-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CCCC(C)(C)C)C1	2000190309	LRDURRHFARXDSE-GXTWGEPZSA-N	236.399	4.764	0	10	BJAE	
CCCNC[C@](C)(CCC)CC[C@@H]1CC1(C)C	2000513625	JNMAPEJONBELPM-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](NC)[C@H]1CCCCC12CCCCC2	2001579052	RXPHXWMDOCVOKA-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)CN(C)[C@@H](C)[C@H]1CCCC(C)(C)C1	2002976950	RSANQLRSWULKAS-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
C[C@@H](NC1CCCCC1)[C@@H]1CCCC(C)(C)C1	2003017545	IVXGYDWRELTXCZ-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](N)CC2CC2)CC1	2003067787	XZOFCJKHKZEMBX-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CC1(C)CCCC1	2003174445	DPSBVHYDCATYTP-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@]1(C)C=CCCC1	2003319967	DOLOKSRJQNSBTF-HRCADAONSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@]1(C)C=CCCC1	2003322575	RDDBBKBPNXCZJV-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)C1(C)CCCCCCC1	2004922808	KROJZVBTBLBOCE-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C)(C(=O)[C@@H]2CCC[C@H](C)C2)CC1	2007683864	WEJODJPXWGQEHR-IOSBVQAASA-N	236.399	4.598	0	10	BJAE	
CC(C)C1CC(CC(=O)C(C)(C)C(C)(C)C)C1	2007772123	CNWOGRVEGSBGFV-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@H](NCC)C1(CC)CCCC1	2009620797	YDEBWNZJQNBCIW-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC(O)(CC)CC1=CC[C@H](C(C)(C)C)CC1	2010712098	GJNOFYXCOKNZMD-AWEZNQCLSA-N	238.415	4.700	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1CC(=O)CC2(CCC2)C1	2012084769	RGRNXDQZAZMXSS-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCCC(C)(C)NCC1CCCCCCC1	2013528513	LAJAEARFMFCJBE-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCN[C@@H](C)c1cc(C2=CCCCCC2)cs1	2013609057	WQNUCBSQDIVOHC-LBPRGKRZSA-N	249.423	4.766	0	10	BJAE	
CC[C@@H](C)CC(=O)c1sc2ccccc2c1C	2014303449	FIVRCMQXYHIHOH-SNVBAGLBSA-N	246.375	4.829	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)C1(CC)CCCC1	2015274059	ITPXTHMVRCFNIO-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CC(C(C)C)C(C)C)[C@H](C)CC(C)C	2015290077	HIIDGYAQLWVCGS-ZBFHGGJFSA-N	241.463	4.575	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(O)CCC(C(C)C)C(C)C	2015334100	FGXYAZOYMLHGGL-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CC(C(C)C)C(C)C	2016150577	VWGOIWXXLHYXPR-MRXNPFEDSA-N	240.431	4.802	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@H]1C1CCC1	2017056581	CZJYXXPTLVPFGD-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CC[C@](CNC(C)C)(CC(C)=C(C)C)C(C)C	2017462463	AKIKALODEVHCEP-MRXNPFEDSA-N	239.447	4.783	0	10	BJAE	
CC(C)=C(C)CN[C@H]1CCC[C@H](C(C)C)CC1	2017469623	TULLXJNJDOOXPI-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@](C)(NCCCC2(C)CC2)C1	2017615369	BVDTYAFSSNMBOJ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](C[C@H](C)CC)NC)CC1	2017654527	FHGIGIHTWZOJPG-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@H]2CCCCC[C@@H]2N)CC1	2017720841	IILGYFZQUQJGJS-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1CC[C@H](C)CC1	2017768292	QGXJYTZMCRAMCI-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@](O)(CC)C1CC(C(C)(C)C)C1	2018137862	ZNFLEWURVOQHIP-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@H](CC)NCC1CCC(C)CC1	2018138277	FEUHDMWHGLDWRX-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@]12CCCC[C@H]1C2	2018577297	HNDYOLKSAPBUNB-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H](C)C2CCCCC2)CC1	2018919545	ZUVVRTKEELSJMD-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2019127957	WFNCPMAGNFKQLG-CBBWQLFWSA-N	239.447	4.568	0	10	BJAE	
CC(C)CCCCCN1CCC[C@H]1CC(C)C	2019345060	WUHKARFJBAOENY-INIZCTEOSA-N	239.447	4.713	0	10	BJAE	
CC(C)C(C(=O)C[C@H]1C[C@@H]1C(C)(C)C)C(C)C	2022555668	ZFLPXHAUHLXULG-OLZOCXBDSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(CC)[C@H](CCCCC(C)(F)F)NC	2023280558	XGPXMVQOLMETNH-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CC[C@H](C(C)C)C1	2025616098	YLSXYWNLWUKGMH-HRCADAONSA-N	239.447	4.568	0	10	BJAE	
CC[C@](O)(CC1(C)CCCCC1)c1ccccc1	2027312550	WTRQRFODFWNQBQ-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)c1ccccc1C(C)C	2027517137	DDGNTUGENCTHJU-PBHICJAKSA-N	247.426	4.882	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)c1ccccc1	2027816763	XXXFEBVZWWHHHJ-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1ccccc1C1CC1	2028565102	IRIQMZXZHGHJBV-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CC1(C)C[C@@H]1CCCNC1CC2(CCCCC2)C1	2028876500	BEQVHGAINRBUSW-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CC1)c1ccc(C2CCCC2)cc1	2031746664	QXCYUMNORSPVGD-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@]12CCCC[C@H]1CCC2	2031759708	OPLNAGQDHBVJMG-ULQDDVLXSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CCC1CCC1)[C@@]12CCCC[C@@H]1CCC2	2031759967	KKTKIODTHORAFX-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC(=O)[C@@]23CCCC[C@H]2CCC3)CCC1	2031853185	UYANBLLNEHTILA-WMLDXEAASA-N	248.410	4.886	0	10	BJAE	
CC(C)NC[C@]1(CC2CC=CC2)CCCC1(C)C	2032103330	ISYPQYVOWHTHRS-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2033569913	HWCFNBYKSDCGHW-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CCc1occ(C)c1C(=O)CCC1=CCCCC1	2035538929	WZMLHGKDXHAGJO-UHFFFAOYSA-N	246.350	4.614	0	10	BJAE	
CNCC1(C[C@@H]2C=CCCC2)CCC(C)(C)CC1	2035596725	AIDNHAJTJBXYOR-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@H]1NC1CC2(CCCC2)C1	2036538080	CKNNZBIXTTULAK-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@@H](n2ccnc2C2CCCC2)CCCCC1	2036776060	LOHNWJLAQWOLGY-OAHLLOKOSA-N	244.382	4.602	0	10	BJAE	
C[C@H]1CC([C@H](N)C[C@H]2C=CCCCC2)C[C@H](C)C1	2037270828	VHOBSOGSXFFELE-PNBKFKSVSA-N	249.442	4.523	0	10	BJAE	
CCc1ccc(O[C@H]2CCC3(CCCC3)C2)cc1	2037681327	FITNIJWNLWWUGE-INIZCTEOSA-N	244.378	4.741	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1N[C@@H]1C=CCCCC1	2039033309	UYUSGINJOJHZQM-BZUAXINKSA-N	249.442	4.680	0	10	BJAE	
Cc1cccc([C@H](O)[C@@H]2CCC[C@H](C)CC2)c1C	2039359726	MLEXPULRSZFXLW-XGWLTEMNSA-N	246.394	4.553	0	10	BJAE	
C[C@@H](NC[C@@H]1CCCC(C)(C)CC1)c1ccco1	2039379316	YSPHVZAOSLCQGM-ZIAGYGMSSA-N	249.398	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCC[C@H]1CC1(C)C	2039433344	BGJQXRNTLNPQND-CAOSSQGBSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(N)CC3(CC(C)(C)C3)C2)C1	2039461064	ZEQDCIXAXVKJOW-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@@H]1C=CCCCC1	2041833696	JAMDFEFINWKJIH-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2[C@H]3CCC[C@H]2CC3)CC1	2042050852	YFOVCALTQUFXMY-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@@H]1C[C@H]2CC[C@H]1C2	2045310687	FLOWCAOMFQZGHV-YHUYYLMFSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC[C@@H](N2CC[C@H]2C2CCCCC2)C1	2045519713	KIVQFVQJTPLWTI-CVEARBPZSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)C[C@H]1CC12CCCCC2	2047059198	OFDXAZSUYLFPFB-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1CCC12CCC2	2047935995	NEWGOJCKONJQHX-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048468667	KFNHXPRIBJWCMA-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)c1F	2049539406	GOWZPXTYQSDIDK-MRVWCRGKSA-N	249.373	4.761	0	10	BJAE	
CN[C@H]1CCCCC[C@@H]1CC1CCC2(CC1)CC2	2049847824	FANJSOJXFGHBKW-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](N)CC[C@H]2C=CCCCC2)c1	2050448277	BOALTMLINMMWIZ-DOTOQJQBSA-N	243.394	4.521	0	10	BJAE	
CC1([C@H](N)C2=CCCCCC2)CCCCCCC1	2052475417	KSJJYOKVSOVOTK-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(CN)CCCCC23CC3)C1	2053412535	SKZYXXCDATUZJQ-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC(CN[C@H]2C=CCCC2(C)C)CC1	2055532321	MZVLBRAFLWEEAR-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCCC(C)=C2C)CC1	2055552595	QOGHYARNQGECCM-OFLPRAFFSA-N	249.442	4.824	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)[C@@H]1CC=CCC1	2056644713	FLBMJBWJLFBMIA-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2CCC=CCC2)CC1	2058990474	ATEOITXKEOINAY-HNNXBMFYSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@H]1CC12CCCC2	2059179196	ZIOBUBCZOKZKHX-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1ccc(F)c(C)c1	2059225585	ORHDZUCSPBSDEJ-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1C(C)=CCC[C@@H]1C	2059249198	FSYJPYCUXOXRHM-ULQDDVLXSA-N	249.442	4.703	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H]2CCCCCC2=O)CC1	2061192541	QBOZXXKRJGXTKN-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
C[C@@H](CCNC(C)(C)C)CC1CC(=C2CCC2)C1	2061669254	UWWVXOQUQGAMND-ZDUSSCGKSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCCC[C@]1(O)CC1CC(=C2CC2)C1	2061689177	WYUQUTRAVLJPDG-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)CC1CC(=C2CCC2)C1	2061727922	CXKCRWGNMRKRFJ-UONOGXRCSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](NCCC[C@H]1C[C@@H]1C)c1ccccc1	2062604743	WWZXBGVSZHRJKN-XIRDDKMYSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C2CCCC2)CC2(CCC2)C1	2063643264	ZORVZJTUAIHPJO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCCC1)C12CCCC1CCC2	2063811869	DMWBCRIJCZTBDI-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](C[C@@H]2CCCC3(CC3)C2)N1	2066376153	REKUZHHNRNMAQK-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CC(=CCC(C(C)C)C(C)C)c1cccc(N)c1	2068958079	OMBNNIRGIVMDQV-UHFFFAOYSA-N	245.410	4.990	0	10	BJAE	
CCCN[C@H](CC1(CCC)CCC1)[C@]12CC[C@H]1C2	2069342293	NIDYHDBKGTYVNU-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)C1(CC(C)C)CC1	2069520003	RVFYGUUIUNUARE-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(CNC[C@H]2C=CCCCC2)CCC1	2071933921	RMKFMWHACYCPOS-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(CN)CCCC23CCC3)CC1	2072796410	OCWMMAUZRJWYLS-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H]1CC[C@H](COc2cccc(C)c2)CC1	2072882420	WFHNHUVNTYEOCN-WKILWMFISA-N	246.394	4.980	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@]12CCCC[C@H]1C2	2074052777	XRNPWWJSBPVDAA-WMLDXEAASA-N	242.362	4.538	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N(C)CCC1=CCCCC1	2075147787	XHRDSVLMBYVEHI-DLBZAZTESA-N	249.442	4.633	0	10	BJAE	
CN(CC1=CCCC1)[C@H]1CCC2(CCCCC2)C1	2075173828	ZPYORJMFDXUBFM-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CN[C@@H]1[C@@H](C2=CCC(C)(C)CC2)CCCC1(C)C	2076396726	WUSRSKDTVVOWEH-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@@H]1C[C@H]1C(C)C	2079561598	HWEJPSSRTDBUND-RRQGHBQHSA-N	246.394	4.526	0	10	BJAE	
CCC[C@@H]1C[C@H]1C=C(CNCC)C1CCCCC1	2079670058	KNGNYVNTKACKKA-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
C(CN[C@H]1CCCC2(CCCCC2)C1)=C1CCC1	2081674657	KTOAKNFREWMALF-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)[C@@H]2CCC3(CC3)C2)C1	2082975794	LTAAKIWBJIUTBE-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1CC[C@H]1C)NCCC	2214961607	RDEKSUSKRQVHTQ-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC[C@@H]1C[C@@H]1CC	2215242627	AGLADPDPWASSIA-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC1=CC[C@](C)([C@@H](O)C[C@@H](C)CC(C)C)CC1	2215819736	YKLMDGCDWMRNFQ-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1c(C)cccc1C	2216046108	LQXBDBZYYMYRBC-HOCLYGCPSA-N	234.383	4.553	0	10	BJAE	
CC(F)(F)[C@](C)(O)CCCCCCCC1CC1	2216900765	WIFKOCVKYASBQO-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCC(CC)C1(CN[C@H](C)CC)CCCCC1	2217133479	AVQQVVVSJPLEFS-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NC[C@H](CCC(C)(C)C)C(C)(C)C	2217140539	YMIDPFBHLAAMMP-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)NCC1(C[C@H](C)CC(C)(C)C)CC1	2217158917	IBTXOHFMMCVUOD-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1C[C@@H]1C1CCC1	2218731905	NBNQRBGRLRJJHI-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](c1ccco1)N(C)CCCCCCC1CC1	2218732669	QQUOGALUBIGKEV-AWEZNQCLSA-N	249.398	4.633	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CC[C@@H]2C[C@H]2C1	2218733203	WGXUQSJCAZCLNG-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
C1=C[C@@H](NCCCCCCC2CC2)CCCCC1	2218751334	VSCJVJUXRFIJIV-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](C(=O)C/C=C/c1ccccc1)C(C)C	2219084110	GOCDFXYEFHRXPT-OQRGYWNNSA-N	244.378	4.731	0	10	BJAE	
CC1=CC[C@@](CNC(C)C)([C@H]2CCC2(C)C)CC1	2221666255	XQOHTFBGDOFYRY-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(N)(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2222970149	AXIYIFDXIYHKNV-NMSBFTQNSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@@H]1CC2CC1C2	2223156146	YOQKFEKCNQXOCH-BACDZXNISA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC2CCC2)CCCC12CC2	2223574068	UINGBAOTTNZWTK-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCC1CC([C@]2(CN[C@H](C)CC)C=CCCC2)C1	2223574851	XFDCNWREYVVCKV-RDHHWEPZSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H](C)c1ccc(C)cc1	2223955501	QLSMCCZRNIQCIW-ZBFHGGJFSA-N	248.410	4.676	0	10	BJAE	
CCCN[C@@H](c1ccc2occc2c1)[C@H](C)CC	2224129184	CMNIPUXDQBYNLU-MLGOLLRUSA-N	245.366	4.520	0	10	BJAE	
CCCCC[C@@](N)(CC)c1cccc2ccoc12	2224157155	MQQWAQPYAUMWCM-INIZCTEOSA-N	245.366	4.577	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@H]1CCCCC12CC2	2246617599	NCQHGSQFUDMAMO-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@](C)(N)CC2CCC2)C1	2246664255	OOEFMMBWNVOCPN-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C)NC1CC2(CC(C)C2)C1	2246849184	BNILRWYUIYBQJX-KXVRIMHRSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CCC1CCCC1	2247173697	DIAVQBXVMMBGOY-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@]1(N)CCCCCC1(C)C	2247447624	ZOHUJGAUXCTWNU-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC1=CCCCC1)C(C)C	2247527935	QJSKSPZIJSGOBZ-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](N)c1cc(C)c2sccc2c1	2248580039	UXAACIMEQADLRG-HZMBPMFUSA-N	247.407	4.646	0	10	BJAE	
CCC[C@](O)(CCCCC[C@H]1C[C@@H]1C)C1CC1	2248869300	HEOSMLZKIZCBFE-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCN(CC[C@@H](C)CCCC(C)C)C1	2250466084	AAZFPNLQWACCTQ-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@H]1CC[C@H]1C	2250522322	GPAOJVNTSNIFLQ-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C)N(C)CC1CC(CC(C)(C)C)C1	2251583232	UDESYWCUIGTYDJ-WLYUNCDWSA-N	239.447	4.569	0	10	BJAE	
CN[C@H](CC[C@H]1CCCCC12CC2)C1(C)CCC1	2253853399	LGRAIOOHIFQTJY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CNC[C@]1(CC[C@@H]2CCC[C@H](C)C2)CC=CCC1	2253937695	JIENQSBCDDMULY-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNC1(C2CCCC2)CCC1	2254530822	KQQPYPQKOVVKRW-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCNCC1(C[C@H]2CCC23CCC3)CCCCC1	2254817648	NCKPMBDEMMWWPK-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CC(C)NC[C@@]1(C[C@H]2CCC2(C)C)CC=CCC1	2254829967	GKNKBMPPYOHAQV-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC1CCC(C)([C@@H](N)C[C@@H]2CCC23CCC3)CC1	2254981181	UUCBNULXEQQFCQ-PYBGIAKNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@@H]1CCC12CCC2	2255024408	LIXGLNKKQRLSBF-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC[C@@](CNC1CC1)(CC1=CCCCC1)C(C)C	2255136483	MFQVQSYWJCLYAV-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cccc(C2CCC2)c1	2259450175	YUVCHNYJEYPEOV-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@@]12CCCC[C@H]1CC2	2260673642	SHQQKVOVPMAPGD-YVSFHVDLSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@H](NC)c1cccc(C2CCCC2)c1	2260723359	MOKKCWRAAHGETM-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
Cc1cc(C=Cc2ccc(Cl)s2)cs1	2297454539	OGAAMFXLPBVMQA-UHFFFAOYSA-N	240.780	4.942	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CCC[C@@H]2C[C@H]12	2298226132	PPWVNEWNVCORDV-ZLDLUXBVSA-N	249.785	4.503	0	10	BJAE	
CCC(CC)CC[C@H](O)C1CC(C(C)(C)C)C1	2300675704	HKZLXCMNEWLQKB-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
CC(=CC[C@@H]1CCCC[C@@H]1O)CCCC(C)C	2300870083	QLBJRMNFHLESOI-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)[C@H](C)[C@H](C)C(C)C	2301833571	SKNMBGWEQLXOMA-KLHDSHLOSA-N	241.463	4.560	0	10	BJAE	
CCCC1CCC(O)([C@H](C)[C@@H](C)C(C)C)CC1	2301965260	RFJBDMSYYFCZSM-QRNKSROTSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CNC(C)C)C[C@@H]1CCC(C)(C)C1	2302710944	UWQPSKIDNXQWJI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@](C)(CNC(C)C)C[C@H]1CCC(C)(C)C1	2302711304	XVQGRXGGGSCZGF-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CCC(C)(C)C1)NCC	2302747567	FLJZBBDCBJUGRE-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@H]1CC[C@@H]1C(C)(C)C	2303504848	ZZXMJEFJQVQCLM-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@H](C)NCC[C@H]1CCC(C)(C)C1	2304359936	IMVXDROVRDANTE-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H]1CC(C)(C)C1(C)C	2307760616	JMRIGBZVSDVQNA-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CN)CCCCC12CC2	2307825225	YJKCRQNWOGACAP-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCCC[C@@H]1CNC	2307825561	CGNGGXBKPZVRPD-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CNC1CCC1)C(C)C	2307925541	UHAGRGPFUYKEQF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2307926974	TWOPOEIHHRCQDO-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC[C@H]1C)[C@@]1(C)C=CCCC1	2309424214	NMGJOTSXXFBRQJ-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@]23CCCC[C@@H]2C3)CC1	2311148863	CJLJGQMOEHQDFA-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@@]23CCC[C@@H]2CC3)C1	2313343962	LFXPKGDWSYDYKO-CRNXPOROSA-N	246.394	4.518	0	10	BJAE	
CCc1cc(C(=O)[C@H]2CC[C@@H](CC)C2)ccc1C	2314636435	NXENHQGNULKTHT-HIFRSBDPSA-N	244.378	4.566	0	10	BJAE	
CCc1cc([C@H](NC)C(C)(C)C(C)C)ccc1C	2314696013	ZRQYDJLSETXRML-INIZCTEOSA-N	247.426	4.500	0	10	BJAE	
N[C@H](CC1CCCCCC1)C12CCCC1CCC2	2317013273	OIMMEOVIYJIDEW-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@H]1CC=CCC1	2317914713	FTIXKAVHRCPSKS-ZDUSSCGKSA-N	247.357	4.717	0	10	BJAE	
C[C@@]1(CC[C@@H]2C[C@H]2C2CCCCC2)CCCCN1	2318844165	UYTPVZLNRSLCOF-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@@H]1C)C1=CCCCCCC1	2318929657	JECKNJDPFSBRHI-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](N)C[C@@H]2CC[C@H]2C2CC2)CCC1	2319542265	ABUAVVHHPUWJSU-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)C2CCC(C)CC2)CC1	2320241396	UEBKCJAVAYHHMB-SHXOLCEUSA-N	249.442	4.680	0	10	BJAE	
Cc1ccccc1N(C)C[C@H]1CC[C@@H]1C(C)(C)C	2320312900	QXBKCLIUHQXSJV-CABCVRRESA-N	245.410	4.504	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C[C@H]1CCC(C)=C(C)C1	2320334958	ABKQPBOCKHZWRE-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC(C)=C(C)C1)[C@H]1CC1(C)C	2320336240	FREOHUGQVNCXFP-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CC2(CN)CCCCCC2)CC1	2320348475	QRJYJBHQVRWLNY-INIZCTEOSA-N	249.442	4.812	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](C[C@@H]1CCC(C)=C(C)C1)NC	2320421842	DLZFPMQKKNSMBV-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1(C)CCC1)c1cccc(C(C)C)c1	2320527600	MVYDSNRHOSIUCR-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc(NC2[C@@H](C)CCC[C@H]2C)cc1C	21813957	CJPVQQSDINOHNU-OCZCAGDBSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cc(C)ccc1C	21817982	PEGOMEHNVFINCX-DOMZBBRYSA-N	233.399	4.930	0	10	BJAE	
CCC[C@@H](C)N[C@@H](c1ccccc1)C(C)(C)C	36994675	JQLLLLTWQBKVSW-HIFRSBDPSA-N	233.399	4.552	0	10	BJAE	
CCSc1ccccc1NC[C@@H]1CC=CCC1	37779434	BVNCNCFRPXTYAZ-CYBMUJFWSA-N	247.407	4.567	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H](C)c1cc(C)ccc1C	70106484	RKXVNEIZNLBNHS-HOCLYGCPSA-N	245.410	4.533	0	10	BJAE	
CCC[C@H](C)C[C@H]1C[C@@H](CCC)CCC1=O	71083871	OQGPVVIIXWZTLM-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc3c(c2)CCC3)C1	71105467	SFCHFJVRZBDXRM-CJNGLKHVSA-N	243.394	4.556	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H]1C[C@@H]1C	71106420	ACYXOCCULZOJGB-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
C[C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F	75839639	QYMDXWZNMBBUEN-VIFPVBQESA-N	230.273	4.650	0	10	BJAE	
Cc1ccccc1N[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2	80125276	ORZZAWDYSXXOIN-YSVLISHTSA-N	243.394	4.622	0	10	BJAE	
Cc1cc(C(=O)C[C@@H](C)C(C)(C)C)c(C)s1	82628093	XIBWBVUYVHRNMG-SECBINFHSA-N	238.396	4.620	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC)[C@@H](C)NCC	84676022	UGJVSOGHCCUUFH-KFWWJZLASA-N	227.436	4.617	0	10	BJAE	
CSc1nc(-c2ccc(C(C)C)cc2)cs1	84910304	XFEHSMQAZNZPHH-UHFFFAOYSA-N	249.404	4.655	0	10	BJAE	
N[C@@H](c1ccc(C2CCCC2)cc1)C1CCCC1	84933484	MBJPTTXQGHSGCL-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCCC(C)(C)CC1	86893984	SBMIKYVQGZTLHX-AWEZNQCLSA-N	249.373	4.905	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2C)CC1	86946799	CMXHKRUEXITLNJ-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@](O)(CCC)c1ccccc1	87165713	POZZGQSEDPNKSB-INIZCTEOSA-N	234.383	4.645	0	10	BJAE	
CCCN[C@H](c1cc2ccccc2o1)[C@@H](C)CC	93188087	XHOQVOFLVKAMEP-LRDDRELGSA-N	245.366	4.520	0	10	BJAE	
CCCCCC[C@@H](NC)c1ccc(C)c(C)c1	97468118	CNBZVPLRPPVDDU-MRXNPFEDSA-N	233.399	4.534	0	10	BJAE	
CC(C)c1ccc(C[C@H]2CC2(Cl)Cl)cc1	105443202	IDJAWTMJIIMJFS-LBPRGKRZSA-N	243.177	4.546	0	10	BJAE	
CC[C@@H](CCC(C)=O)c1c(C)c(C)cc(C)c1C	107657540	JIYZSUBEHJWCFS-INIZCTEOSA-N	246.394	4.783	0	10	BJAE	
CCCCC[C@@H](NCCC)C1CCC(C)CC1	109737918	WUMWHSZCVWEYJF-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](N[C@H](C)c1c(C)cc(C)cc1C)C(C)C	109929256	WNIJEFHMHICHSU-CVEARBPZSA-N	247.426	4.697	0	10	BJAE	
CCCCCCC1(CNCCC)CCCCC1	110200393	YVRQYADAQLMJNM-UHFFFAOYSA-N	239.447	4.907	0	10	BJAE	
CCCCCC[C@](N)(CCC)c1ccccc1	110446390	IFDHWBXADONPIM-MRXNPFEDSA-N	233.399	4.611	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCC[C@@H](C)CC2)cc1	159890532	RQVXTGKKXARLCY-FRFSOERESA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](CC1=CCCCC1)NC	161301762	RSEBZPBDJIDKQR-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C(C)C)C1(CC(C)C)CCCC1	166584403	ZORFISMOQRISNX-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1CCC(c2ccc(C#N)cc2)CC1	224765398	VVZWJMIWZBXWAE-UHFFFAOYSA-N	241.378	4.878	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@H](N)C2CCCCCCC2)C1	227038939	ANYVACXMCDTGLT-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
Clc1ccnc(-c2ccccc2C2CCC2)c1	227694188	LSPYLFMRAHSFAG-UHFFFAOYSA-N	243.737	4.670	0	10	BJAE	
C[C@@H](CC1CC1)Nc1ccc(Cl)c(Cl)c1	229669259	HYFODQGMSWHXMA-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
CCCCCCc1ccc(Cl)s1	230865111	LYCZSMZKRZLCQS-UHFFFAOYSA-N	202.750	4.524	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C(C)C)C2)c(F)c1	230987595	RFZBRLXKSUUWKP-UONOGXRCSA-N	249.373	4.761	0	10	BJAE	
CCCCC[C@H](C)[C@H]1CNc2c(C)cccc21	232980075	HTIKXUIXHQXGCD-SWLSCSKDSA-N	231.383	4.721	0	10	BJAE	
CCC[C@@H](C)C[C@H]1CNc2c(Cl)cccc21	233272932	FXYHOMKAPZUSOM-MNOVXSKESA-N	237.774	4.675	0	10	BJAE	
CCC[C@H](C)C(=O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2	233322605	LFHYQYICOGYRRA-GESPQZGRSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](N[C@H]1CCC[C@H]1CC)c1ccccc1	252963448	WELYTCHFXWTWDY-PVAVHDDUSA-N	245.410	4.696	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CCC2CCCC2)C1	305896548	LISBYWBHLBYYHM-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@](CN)(CCC2CCCCC2)C1	305939366	LETYNYZJSMWNFO-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](NC)c1ccc(C)cc1C	308079757	PQAIMTNXSBBJIN-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@H](CC)CC(C)C	308100755	RHFNSTSFJRJAHF-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(CNc2cccc(C(C)C)c2)cs1	310276434	JUICLSATWDPUAJ-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
Cc1cccc([C@H](O)C[C@H]2CCC[C@H](C)C2)c1C	311136115	RZRMDIUYAIMXFT-YLQAJVPDSA-N	246.394	4.553	0	10	BJAE	
C[C@H]1CCC[C@@H](Cn2ccc3c(F)cccc32)C1	311161305	YODYAHXIRRYCFQ-QWHCGFSZSA-N	245.341	4.607	0	10	BJAE	
CCCCC[C@]1(CNCCC)CCCC[C@@H]1C	319097257	DKQRXNICRSNZJK-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1ccc(C(C)(C)C)cc1	320013484	FFSKEVFPORGAIF-CHWSQXEVSA-N	246.394	4.849	0	10	BJAE	
CCC[C@@H](NCCC1(C)CCCC1)C1CCC1	322469096	NWWZSXVFFWUECD-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCC1(CNC(C)C)CCC1	383294459	ROLYPAVCVBSPJG-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(C[C@](C)(O)CC2CCC2)CC1	383568579	JPWGCWKDNUWOCM-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCCC(=O)c1ccc2ccccc2c1C	384485496	IEVQPNSPDHLEFH-UHFFFAOYSA-N	226.319	4.521	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)c1ccccc1C1CCC1	384547922	FXDBOFRHGXBZKL-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@H]1CCC[C@@H](C)C1	385302953	VWBCSMPKNASIBM-DOMZBBRYSA-N	244.378	4.703	0	10	BJAE	
C[C@H]1C[C@@](O)(CCCC(C)(C)C)c2ccccc21	386597119	KKZQMCVXUMEDEJ-GUYCJALGSA-N	246.394	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H]2CC23CCCC3)CC1	386934456	SFYZNRCNAPLUHP-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@@H]1CN[C@@H](C)c1ccc(C(C)C)cc1	387767915	BMKHXAQKKKNQOY-JJRVBVJISA-N	245.410	4.507	0	10	BJAE	
CC(C)CNCCCCCCC1CCCCC1	395106432	XEKDAIMMQKEODV-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCOc1ccc(C(F)F)c2c(C)csc12	396251362	TUOIWXXIUOPZNS-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCOc1cc2cc(C)c(C(F)F)cc2s1	396257514	YKAMJCCTJIJKLY-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CC[C@H](N[C@H](C)CCC1CC1)c1cccc(C)c1	398019569	CAABESLIEQWBPM-PBHICJAKSA-N	245.410	4.614	0	10	BJAE	
C[C@H]([C@H](N)c1cccc2ccccc12)C(C)(C)C	399086851	BLYSKNXNHCIZCY-WBMJQRKESA-N	241.378	4.522	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CCCC2CC2)CC1	406038855	RQHUSZAIGMYPAE-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCC1([C@@H](O)C[C@@H](C)c2ccccc2)CCC1	686920329	AWLAJXKEZGTYRB-ZBFHGGJFSA-N	246.394	4.512	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)C1(CC)CC1	688357122	GRRAOKHSDHQONF-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1ccc2sccc2c1	691863737	CNXUTKINYZZLCZ-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@]23CCCC[C@H]2C3)cc1	693275436	UNQXYSTUSLLMMK-RDJZCZTQSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](C)c1ccccc1C	695063306	UMGZZRMLXUFELU-DOTOQJQBSA-N	247.426	4.513	0	10	BJAE	
CC(C)C[C@H](N)[C@@H]1CCC[C@@H](C(C)(C)C)CC1	695091546	KBFQAHJKYCIPAS-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(C(=O)[C@H](C)C(C)(C)C)c(Cl)c1	704542578	GNYYBCWRDVCJGD-JTQLQIEISA-N	238.758	4.513	0	10	BJAE	
CN[C@H](CC[C@@H]1CCCC[C@H]1C)c1ccccc1	704882167	XVHKCYNZGIGTBM-HLLBOEOZSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC(C)(C)C[C@@H]1C	704941431	ZUDCYIMWERUIOW-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC(=O)C1(C)CCCC1)CC(C)(C)C	709212950	PIZKRWWAEKUOAC-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CCCCC[C@@H]1C(C)C	709216979	JRMNWKPEUZZJSO-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C1CCCC1)C1CCC1	711829743	AGNCRFDMMRVPOK-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC1(O)CCC2(CCCC2)CC1	713151571	DOUOBOOHUOQDJX-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CC[C@@H]2CCCC[C@H]21	714303479	KGSMTYMIMORNQP-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)C[C@H](N)c1cscc1C(F)F	717195670	YXDLZQVVUZOBCX-NSHDSACASA-N	247.354	4.512	0	10	BJAE	
CC1(C)CC[C@@H](CCC2=CCCCC2)C(=O)C1	717439390	PNXBIMNGHZFPPB-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCCCC1(C)C)C(C)(C)C	719226801	ZSXOFFDBVNRNFI-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CC2)C1(CC)CCCC1	723181717	GWESKNMMBHWIDF-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1NCC1CC(C)(C)C1	723588721	UCICIDYIOXMUKO-UHFFFAOYSA-N	231.383	4.658	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@H](C1CCCCC1)C1CC1	723979345	BUBRZUUUXWLZFS-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
c1ccc2c(-c3ccc4occc4c3)ccnc2c1	1239850983	CQIPQJGLJDQHNJ-UHFFFAOYSA-N	245.281	4.648	0	10	BJAE	
CC(C)C(=CC1CCCCC1)CNC(C)(C)C	1876957730	XEQWISRFBMGPOV-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CC=CCCNC(C)C	1884963488	DGLQKSIVNFTSHB-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)CCC=C(C)C	1900693046	KAQCIJZGXVKPGN-HNNXBMFYSA-N	225.420	4.667	0	10	BJAE	
CCC(CC)CCOc1ccc(C)cc1C	1900702326	IPQGEBLVYLUFQI-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
CCCCN([C@H](C)CC)[C@H](C)[C@@H](C)C(C)C	1901725667	YJCZZDRSQIQVEM-QLFBSQMISA-N	227.436	4.568	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@@H]2CCCC2(C)C)n1	1905271386	PKGCXGYOEMKZCA-VWYCJHECSA-N	235.396	4.560	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC(C)(C)CC)NC	1905451769	APIODRPJJCKGTL-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)[C@@H]2CC(C)(C)[C@H]2CC1	1911531627	SITKOPDZOGHVLY-MQYQWHSLSA-N	208.389	4.885	0	10	BJAE	
CC=CC[C@H](C)c1cc(CC)ccc1CC	1911865188	DDZVOPFAKHNXBT-ZDUSSCGKSA-N	216.368	4.881	0	10	BJAE	
C[C@@H](CC(=O)C1CC2(CCCCC2)C1)C1CCC1	1912615011	AHDFOVCKRDKHOF-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1CCC1)C1CC2(CCCCC2)C1	1912634371	LMJAXKFZIKIVHC-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC)[C@H]1CCC2(CCCCC2)C1	1915907360	FKQYEIJFTNOVMO-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CNC[C@@]1(CC2CCC(C)(C)CC2)C=CCCC1	1916612902	QYFYFTLUOBAFMI-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@H]1CC[C@H]2C[C@H]2C1	1917328620	HINSAAQAAJYGJU-ZOBUZTSGSA-N	241.378	4.555	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CC[C@@H]1CC1(C)C	1921565181	WAFATEBNGHZLMM-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C(=O)CCC1=CCCCC1)C1CCCC1	1924098131	MGFMPDWINUYVQD-CYBMUJFWSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@H]2C=CCCCC2)C1	1925769690	UERREEZSXJFVEE-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)CC(=O)c1ccccc1C1(C)CC1	1926189438	OJLMBZXGNNDUOU-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CC(C)C[C@@H](C)c1csc(C(C)(C)C)n1	1933230848	IEIBSLOSSDTEKC-SNVBAGLBSA-N	225.401	4.590	0	10	BJAE	
CCCCCC[C@@H](O)c1sccc1C1CC1	1937051194	SDBASNCFCHQGNA-CYBMUJFWSA-N	238.396	4.629	0	10	BJAE	
CC[C@@](O)(CCCCCC(C)C)CC1CC1	1939408626	WMJSCHLGZKLLPG-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1(CC)CCC1	1940110803	IVWHYLOPOJCPBK-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CC1(C)CCC[C@@](O)(CC2(C)CCCCC2)C1	1940410194	QNKUGHCLJSQBCT-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)c1ccc(OCC2CC(C)C2)cc1	1940687925	IMVIWWMOKSRWLJ-MOKVOYLWSA-N	232.367	4.625	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@@H](C)C(C)(C)C	1940794170	AWQFERLTKDOHJE-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCNCC1(CCCC(C)C)CC(C)(C)C1	1941976401	ILLWEANZYHMKEX-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)[C@@H](CC(C)C)C(C)C	1942660628	KVDFFXKJOZDOAD-JYJNAYRXSA-N	242.447	4.738	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1C[C@@H](C)CC(C)(C)C1	1942799414	NQUAJTSWPQKLML-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC(C)C)C(C)(C)C1CCCCC1	1944660062	FDIAMCSQSALKRF-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2CCC[C@@H]2C)cc1	1944849754	OSNKOLNJBLADAZ-ZFWWWQNUSA-N	231.383	4.658	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCC[C@H]1CCC	1947465139	UHCORJLYULTMPA-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@H]2C=CCC2)cc1	1947559134	PDBBLNHHXRDLEU-KGLIPLIRSA-N	230.351	4.545	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C1=CCCCCCC1	1948951477	DULGPZBABFNVKW-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC1(C)CCC[C@@](N)(C2=CCCCCCC2)C1	1948951965	PHTZZOCRNMISDB-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC1(CCC[C@@](C)(N)CC2CCCCC2)CC1	1949055320	RIONJZWJFNOXMR-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCC(=O)CCCCCCCOC(C)(C)C	1949736507	QHHNNDMSJOXSFY-UHFFFAOYSA-N	242.403	4.511	0	10	BJAE	
CC(C)CCC[C@H](O)[C@@H]1CCCC(C)(C)CC1	1950913114	DTNTVBGNYNJTRK-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C[C@@]1(CN)CCCC(C)(C)CC1	1950917449	FZMJNUKPVRRQIR-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C1(CC)CCC1	1951234537	HQDIFJFXHUROPM-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1ccc(C2(C)CC2)cc1	1967848456	RHPDUDVEHCASQW-XJKSGUPXSA-N	243.394	4.729	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@H](C)C(C)(C)C	1969039683	FEVMGPLJOPQLBD-ZIAGYGMSSA-N	227.436	4.569	0	10	BJAE	
CC1(C)CCCC[C@H]1CN[C@@H]1CCCC2(CC2)C1	1970086556	QYDDTWFDULRTNI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1CCCCCCC1=O	1980351186	MAZNGYLGFDXQQX-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCC=C(C)C	1995262652	OZAZNKTVIDMDJG-CABCVRRESA-N	225.420	4.667	0	10	BJAE	
C[C@@H](CCC(=O)C[C@H](C)CC(C)(C)C)C(F)F	1996106314	MMKUIWQBGBOJCU-QWRGUYRKSA-N	248.357	4.699	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)C[C@@H](C)CC(C)(C)C	1998741671	KBWJXMHVCCACJV-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@](CC)(CCCCF)CNC(C)C	2000499915	OXMVQYSVSNWDJU-HNNXBMFYSA-N	245.426	4.711	0	10	BJAE	
CCC[C@H]1CCCN(CCC(C)=C(C)C)CC1	2000905490	CHMWVVZYRGXVRA-INIZCTEOSA-N	237.431	4.635	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CC12CCCCC2	2001254229	MFRWJWDPUORNDY-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2CCC[C@H](CC)CC2)C1	2002319653	HLQJFWZLGDPVMU-FGZQJIAISA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@@]1(C)CCCCC1(F)F	2002589752	OQHUMCNGBLJWEX-WCQYABFASA-N	246.341	4.597	0	10	BJAE	
CCCCCC1CCC([C@@H](N)[C@@H](C)CC)CC1	2003067126	NMABHHFCRHAVRV-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](N)[C@H]1CCCCC12CCC2	2005592047	MUKNKZQRJUCNGW-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC(=O)CC1CC(C2CCC2)C1	2007767966	SLHDHKZITXZXTD-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H]1CCC(C)(C)C1	2009599248	XEKCJQQOYSIWAA-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](CC1CCCCCC1)NC	2009620130	RQYXIJDPGNOKJU-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](NC1CCC(C)(C)CC1)C1(C)CCCC1	2014338232	HSZGBXSHDUBVQF-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)NCC1(C(C)(C)C)CCC1	2017140915	AOBAHFSEEZPECS-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCCC1(NCC2(C(C)(C)C)CCC2)CC1	2017146153	QABYSXCYKFRCLV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)CCC(C)C)CC1	2017774382	NYJYFBKBJXPFNH-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@]1(C)CCC(C)(C)C1	2017915307	ZCUUPLYXNPKTFW-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@@H](C)CC(F)F	2018188812	PNMAUPKQTRHGCH-QWHCGFSZSA-N	249.389	4.568	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@]12CCCC[C@H]1C2	2018571339	SKGXLIQJPVWKEG-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCC[C@H](CC)C2)CC1	2018915255	FDMSMBAEDZZGMP-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCC(N)(CC2(CC)CC2)CC1	2018982109	IRMOTOWYVAPJLQ-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@H](C)C(C)C	2019008874	SDBAXQIAZACVII-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN(C)C1CCC(CC)CC1	2019174146	ZTVFTRLPCSRXRN-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)C1CCC1)CC(C)C	2019848227	BQIBYLVKTQYYEL-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCN(CC(C)C)C1CCCCCC1	2020506995	ZCLBGBFGEMUKHH-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCN(CCC(C)(C)CC)C1CCCCC1	2020537088	IMZSOUQTQSVLPO-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H]1C[C@H]1C(C)C	2022388508	RDSSQTIWOCDRJG-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCCC(C)(F)F)CCC(C)C	2023297511	ZGYFDFAYHZHXII-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC(F)(F)CCCCC(=O)C1(C)CC(C)(C)C1	2023333694	ZIBXWPICYKHHSR-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCC1CC(N)(C[C@@H]2CCCC(C)(C)C2)C1	2024093894	FWJRBWXOKNBBLX-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C[C@H]2CCCC(C)(C)C2)C1	2024100375	BZLAGOSOWZWZFA-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H]1CC[C@H](C(C)C)C1	2025616099	YLSXYWNLWUKGMH-JYJNAYRXSA-N	239.447	4.568	0	10	BJAE	
C1CCC(CCN[C@]23CCCC[C@H]2CCC3)CC1	2031797354	DAEYLZUZHSUHBJ-IRXDYDNUSA-N	249.442	4.659	0	10	BJAE	
CC1CCC(C(=O)[C@]23CCCC[C@@H]2CCC3)CC1	2031853918	ZSMIXEULLFNUHC-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc2c3c([nH]c12)C(F)(F)CCCC3	2035248450	PKPHKOAGBQCJLY-UHFFFAOYSA-N	249.304	4.549	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CC[C@H](C)[C@H]2C(C)C)c1	2035406268	AQWIGCPAQYLPDE-APHBMKBZSA-N	249.373	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC(C)C)(C[C@@H]2C=CCC2)C1	2035587788	FFLNIDLAFUBKSU-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@]2(N)C[C@H]3CCCC[C@@]3(C)C2)CCC1	2037106557	JGFILKOBLUNMHC-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2037159906	VGWXLTDYJCQUIW-QUSNUVHPSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)C[C@H]1C=CCCCC1	2037272942	IZZUOACTNWPARU-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H]1C[C@@H](C[C@@H]2C=CCCC2)CCC1(C)C	2037871983	SXNSXPUUWMKWDF-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC(C(=O)CC23CCC(CC2)C3)C[C@@H](C)C1	2039422545	WFYCGJXHBFDVKZ-YRFCHQJDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@]2(N)CCCC3(CCCCC3)C2)C1	2040763834	VGLUUDQSMZUVHC-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](N[C@@H](C)c2ccoc2)CC1	2041502496	KAGSTRUQEIDEOR-OFQRWUPVSA-N	249.398	4.535	0	10	BJAE	
CC(C)NC[C@@]1(CC[C@@H]2CC2(C)C)CC=CCC1	2042093507	HYHYGDYQQDOFFP-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCc1cc(N[C@H](C)C2CC(C)(C)C2)ccc1F	2043552607	GGKRHBUEFWYNLD-LLVKDONJSA-N	249.373	4.625	0	10	BJAE	
CC[C@@]1(C[C@H]2CCC=CCCC2)CCCCCN1	2045323887	QASUKPSPMJSELI-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CCCC1([C@@H](CC2CCC=CCC2)NC)CCC1	2045731560	ZLLRVXFUOVXXKP-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCC1)C1(C)CCCCCC1	2045795950	CWKNWGADDKGGIV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@@H]1C(C)=CCC[C@@H]1C	2045810548	OJIOZTLQUZMKGE-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@H]1CCC12CCC2	2047939798	QDAMLOSWGXRVSB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@]1(C)C=CCCC1	2050006397	MTSOVQBQTQTONV-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2C3CCCC2CCC3)C1	2050044265	YNJIZDCQVVCCQO-VATXVYSQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@H](O)c1cccc(C)c1	2050426646	PTONWYSBCYITBM-VYDXJSESSA-N	246.394	4.635	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCCC[C@H]1CC1(C)C	2050456561	RSXINRKBJXEWQD-HOCLYGCPSA-N	245.410	4.601	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC[C@H]3CC[C@@H]32)cc1	2052287195	VIMIGUFUNNZPFI-BHYGNILZSA-N	243.394	4.630	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@@H]2CC[C@@H]21)C1CCCC1	2052307102	FUUWHYSLGDWKPA-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CCCC[C@H]2F)cc1	2055250213	NCSYAYVNTVQJHN-LSDHHAIUSA-N	248.341	4.521	0	10	BJAE	
CC(C)[C@]12CC[C@H](NC3CCCCCCC3)[C@@H]1C2	2058567029	TYWSMBXSUBNMPC-YESZJQIVSA-N	249.442	4.514	0	10	BJAE	
CC=CCCC[C@](C)(O)c1ccc(C(C)C)cc1	2059222575	BEELJOOVHIWDCG-KRWDZBQOSA-N	246.394	4.764	0	10	BJAE	
CC=CCCC[C@]1(CNC2CC2)CC[C@H](CC)C1	2059252376	HNFPNSMQQFOKIY-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@]1(CNC)CCCCC12CCC2	2059252602	JRQOFDOTUREEGM-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](CC1CCC1)C1=CC[C@@H](C(C)C)CC1	2061089770	VZARGTWLWLEYPI-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1=CC[C@H](C(C)(C)C)CC1)C1CCCC1	2061096011	RBQAIUDNAOAHEH-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(C1=CC[C@H](C(C)(C)C)CC1)[C@H]1C[C@H]1C	2061115761	KDHLVZXFSAEIEB-RMRKRWHISA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC=C([C@@](C)(N)C2CCC(C)CC2)CC1	2061121643	IBHDFPPLBLPFGB-INTUILBWSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccccc1OCC[C@]12CCC[C@H]1C2	2061598587	ZHQAAKUVMKXLAP-YOEHRIQHSA-N	244.378	4.769	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C1CC(=C2CC2)C1	2061650812	OYROMMMNUCLZCY-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@]12CCCC[C@@H]1CCC2	2062624564	KELONUROYRJTIT-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccccc1C(=O)CCC[C@H]1C[C@@H]1C	2062624988	MVAPXFGFUGZFMM-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
CC[C@@](CNC1CC1)(C[C@H]1CC=CCC1)C(C)C	2064490450	ZVTUOBDMXPUUMV-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCCC[C@@H]2C)n1	2066348139	YMNXRPDSRKMVFI-ZFWWWQNUSA-N	246.398	4.586	0	10	BJAE	
CC1(CCC[C@@]2(CNC3CC3)CCC2(C)C)CC1	2068233296	MVXFMBWRLBLNQI-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(CCN[C@H](C)c1ccccc1)C(C)C	2068958507	UXMUMAOEJCNRTL-OAHLLOKOSA-N	247.426	4.656	0	10	BJAE	
CCN[C@H](C[C@@]12CCC[C@@H]1C2)C1(CC)CCCC1	2070862051	PQUDNXBLMULHMO-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)C[C@]12CCC[C@@H]1C2	2070870990	VTANVRPCWNUMAF-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCCC23CCC3)CC1	2072807070	RNZSPJMLWSFKIC-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2072874602	DARXRDBKLJKAFI-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C2[C@H]3CCC[C@H]23)CC1	2072879317	STFNQHVWHFQTDX-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C1CCC(C)(C)CC1)N(C)[C@@H]1C=CCCC1	2075084752	QHDRWUDJKLGVLD-GOEBONIOSA-N	249.442	4.632	0	10	BJAE	
CCC1CC(CC(=O)[C@H]2C[C@H]2C2CCCCC2)C1	2079479684	YWNXFSDFIJPCOV-BGHVQYPCSA-N	248.410	4.598	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@H]2C2CCCCCC2)CCC1	2079490478	BTERZSOVFVNYTD-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C[C@H]2C2CCCC2)C(=O)C1	2079849754	AVOMSTGDXJBRJU-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1C)C(C)(C)CC	2082922932	RFOYVJZEZXRVCB-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
C1CCCC(=C2CCCNC23CCCCC3)CC1	2083809613	VWJJGIXRAJWMRH-UHFFFAOYSA-N	247.426	4.724	0	10	BJAE	
CC(C)=CCC(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213303027	IKWWFSUDGKKXIS-QDMKHBRRSA-N	234.383	4.518	0	10	BJAE	
C[C@H]1C[C@H](CCCCCCC2CC2)N[C@H](C)C1	2213575755	IVYUIMXUZRZEMW-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
N[C@@H](CC1=CCCCCCC1)C1CCCCC1	2214777825	UCWJGJCKGFNCPK-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)(CC[C@H]1C[C@H]1C)CNC(C)(C)C	2215249861	MLZRVVQRYQDGPA-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC1(C(=O)CC2C[C@H]3CCC[C@H](C2)C3)CCC1	2218384055	AHFLKFWYLFMFTG-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1C[C@@H]2CC[C@H](C1)N2CCCCCCC1CC1	2218736422	YNJNBMDDOLMWQF-ZXFUBFMLSA-N	249.442	4.610	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@]1(C)CC=CCC1	2220043735	BHQLYADHDPPUJU-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1ccccc1C(C)(C)C	2220925251	BZIPBYKEWZSDNR-UONOGXRCSA-N	245.410	4.832	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2C[C@H]2C(C)(C)C)CC1	2221642583	HGOYURDFYQRXDG-VBQJREDUSA-N	248.410	4.764	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)C1[C@@H]2CCC[C@@H]12	2223110236	NGSWJVMQODDJJR-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
C[C@](CNC1CCC1)(C1CCCCCC1)C1CC1	2223596136	DCYWZWDAPFCJTJ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)c1cccc2ccoc12	2224163442	CZIVZDMQQPYWAU-LLVKDONJSA-N	244.334	4.688	0	10	BJAE	
CNc1cccc(-c2cc3sccc3s2)c1	2246032609	RAJOVXPDWXXQPG-UHFFFAOYSA-N	245.372	4.672	0	10	BJAE	
CC(C)CC[C@H](O)CC[C@H]1CCCCC12CC2	2246626235	IYAPXQUNTYBEMS-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC1CCC(O)(CC[C@@H]2CCC[C@H](C)C2)CC1	2246691151	GYPWAJFHBZOZOM-PYBGIAKNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCCCNC(C)(C)C)C1	2246725553	HJVUBVVCDLEJEY-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC2(C)C)CC1	2247447733	NPVDJXIBRCEODM-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
Cc1c(Cl)cccc1C(=O)CC1=CCCCC1	2247531949	QKYMBHNSCRBWGS-UHFFFAOYSA-N	248.753	4.722	0	10	BJAE	
O=C(CCC1CCCC1)c1csc(C2CC2)c1	2248067567	BUXPZBAPCAQITE-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCSc1ccccc1N	2248841813	OZNDXBSQVCKUAP-STQMWFEESA-N	249.423	4.577	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)CCCC1CC1	2248864351	CDZACEZATXCOOG-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)CCCC1CC1	2248864354	CDZACEZATXCOOG-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1N[C@H](CCCCCCC2CC2)CC[C@H]1C	2250225921	HFKVQFVBCPXWEF-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1CCC=CCCC1	2250360667	YMMAOKWUNJXLMR-LSDHHAIUSA-N	236.399	4.908	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1C[C@@H](C)C[C@H]1O	2250479357	TXJUTRWJWGMOAC-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(CN)C1CC1	2250491472	PKETUCCTGJIXIE-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
CCCN(CC[C@@H](C)CCCC(C)C)C1CC1	2250528145	MABXRLWOVXWHOS-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@]12CCCC[C@H]1CC2	2251210956	HWRKGPMHJQQCGV-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
C[C@](N)(CC[C@@H]1CCCCC12CC2)C1CCCC1	2253844782	VPUMNKUQZADEFZ-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC=C2CCC[C@@H](CCN)C2)C1	2253934037	FMKBDFLOZJQJJZ-VYDXJSESSA-N	249.442	4.668	0	10	BJAE	
N[C@@]1(CC2CC3(CCCC3)C2)CCC=CCCC1	2254115907	ZOWARAIHCWHUDM-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(N)C[C@@H]2CCCC[C@H]2C1	2254605738	NNCUNCBFASRZLQ-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@](C)(N)CC2=CCCCC2)CC1	2255095200	FBPQIUXGNSDCCD-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC[C@@H]1CCCC12CC2	2255317133	FZDYBDIVJGZMLB-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](N[C@H](C)[C@@H]1CC12CCC2)C1CCCCCC1	2256428277	TWOZRMMRUHKAFB-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)[C@H]2CC23CCC3)c1	2256450808	FNAJLCVHJGZQGU-CZUORRHYSA-N	243.394	4.801	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@@]1(C)C=CCCC1)C2	2259567962	WQWWPVOFXLANRA-XRFBTWBJSA-N	246.394	4.518	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@@]12CCCC[C@@H]1CC2	2260486261	JAFPLZAJLQWTIX-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@]12CCCC[C@H]1CC2	2260508960	SIPBPSJXKVOLSE-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@]23CCC[C@H]2CC3)C1	2260515437	HAVNSELZSOCGPZ-JKIFEVAISA-N	248.410	4.742	0	10	BJAE	
C[C@]1(C(=O)C[C@@]23CCCC[C@@H]2CC3)CC=CCC1	2260568654	LCYRPJQJZDEMLN-PVAVHDDUSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](NCC2=CCCCC2)C1	2261385066	GWTOSHRNWNWLOC-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]1[C@H](C[C@@H]2C=CCCC2)CCC1(C)C	2261442015	FGSPPBLBBLTRMI-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CCCCCC2(C)C)C1	2298882366	VHHFNTRXJCKPFZ-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1(C(C)(C)C)CCC1	2300690032	DVVWYISLSZWVNK-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H]1CCCC[C@H]1CC	2300876614	IDYVBTGDZVKRNM-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@H]1CCCCC1=O)CCCC(C)C	2300893959	ZKEZTKOZIZLHQB-OAHLLOKOSA-N	236.399	4.908	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CCC(C)(C)C1	2302713457	PAEGNYUORQNIAW-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC1CC(CC(=O)C[C@H]2CCC(C)(C)C2)C1	2302871825	PLMNIMNHAPTPKK-ROKHWSDSSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CC)[C@@]1(C)C=CCCC1	2309424729	YXGFYQALRURPKE-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC[C@@]12CCC[C@@H]1C2	2311745553	FEYZFPAVPQGKAE-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312879807	KKAPOOXVKSADGQ-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@@]12CCCC[C@@H]1CC2	2313309330	CPDMJVLFTGLBSQ-ZMSDIMECSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@]23CCC[C@@H]2CC3)C1	2313309447	HAVNSELZSOCGPZ-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
N[C@H]1[C@H]2CCCC[C@@H]2C[C@H]1CC1CCCCCC1	2316871241	YYOYMPKYGXECPF-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCC1CC1)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316886913	ZBHATKUFLWIENI-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCCC(=O)CCCC(C)(C)Cc1ccccc1	2317222402	NEVVOESYULZWLZ-UHFFFAOYSA-N	246.394	4.795	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Oc1cccc2c1CCCC2	2317832270	UHLCTMMBRQCLMC-KGLIPLIRSA-N	246.394	4.625	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)c1cccc2ccoc12	2317840648	XPNCLGWJYWMEFK-RYUDHWBXSA-N	244.334	4.544	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C1=CCCCC1	2317906961	MIVLVYPHJRMRGD-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N1CCC[C@@H]1c1ccccc1	2318006574	ABXDMVFARLZLRK-YQQAZPJKSA-N	245.410	4.504	0	10	BJAE	
C[C@@H]1[C@H]([C@]2(N)CCC3(CCCCC3)C2)CC1(C)C	2318247152	GGPFQJNMOGYNKU-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CN[C@]23CCCC[C@H]2CCC3)C1	2319014847	YSAGQTBPDNURBQ-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@H]2CCCC3(CC3)C2)C1	2319121228	LDVQUISMZVZVSB-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC(C)=C(C)C1)c1ccccc1	2320238655	XASNSHXUMIJPSR-IAGOWNOFSA-N	243.394	4.616	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@H]2C[C@H]2C(C)(C)C)CC1	2320336809	IRHJFFYKZLQVNC-QKPAOTATSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](NCC2C[C@@H](C)C[C@H](C)C2)CC1	2320373360	QXZRHDZEMWUSAW-GDZNZVCISA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@@H]1C)c1cccc(C(C)C)c1	2320527856	PKWMZQVRDMZEDO-JQFCIGGWSA-N	245.410	4.507	0	10	BJAE	
C=C=CC[C@@H](N)c1ccc(CCCCCC)cc1	2327905335	KWESMMKDBALCDW-QGZVFWFLSA-N	243.394	4.540	0	10	BJAE	
CCC[C@@H](C)N[C@H](CC(C)C)c1ccccc1	19232816	GRGMIPGNHFEOCR-GDBMZVCRSA-N	233.399	4.552	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)c1ccc(F)cc1	21014600	PTWJYDQZIAPPBH-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)c2ccc(C)s2)c1	21501024	CBNOCMNJOLBPNE-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CCCCc1ccc([C@@H](NCC)[C@H](C)CC)cc1	35548112	MAFVEYCSUAPNPI-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](c1ccc(C(C)C)cc1)C1CCC1	36820184	WZXIIGXRCLKEBC-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCC(CC)N[C@H](c1ccccc1)C(C)(C)C	36994722	AXUOACUPOLQWQP-OAHLLOKOSA-N	233.399	4.552	0	10	BJAE	
C[C@@H](N)c1ccc(-c2ccc3ccccc3c2)cc1	38071105	FZXFBOLUABKJRO-CYBMUJFWSA-N	247.341	4.527	0	10	BJAE	
CC(C)c1ccc(OCC2CCCCC2)cc1	70242642	ZRPHGTFDLVJZMD-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCC(C)C	71085051	ABXHVWNKKYYCEM-ZDUSSCGKSA-N	212.377	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2ccccc2C(C)(C)C)C1	80432679	ILMMKQQCIVPWDJ-QWHCGFSZSA-N	231.383	4.585	0	10	BJAE	
CC[C@@H](N[C@H](CC(C)C)c1ccccc1)C1CC1	86117608	KELZXZYYCRTELR-IAGOWNOFSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)C1CCC(C(C)(C)C)CC1	87985474	UFTAFHBNASZTEM-XSCHDIRWSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)Nc1nccc2sccc12	88298560	OTWYHEBZPJJMOC-GHMZBOCLSA-N	248.395	4.533	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CCCCC[C@@H]1C	88512477	NHIMAADTTSKLLL-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC[C@H](C)C1	103993837	WCVWCPONKAIHOX-WFASDCNBSA-N	231.383	4.548	0	10	BJAE	
CC/C=C\C[C@@H](C)c1ccc(C)c(C)c1	107529630	WIZYGVWEJNNALI-FMFIFOJESA-N	202.341	4.763	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@@H](C)C(C)(C)C)cc1	122587208	XTZBHFTXDZVDAE-KGLIPLIRSA-N	247.426	4.895	0	10	BJAE	
CCC(CC)C[C@@H](O)CC1CCCCCC1	124247935	DBDZPBYZNZWAQX-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)C(=O)c1ccc(C2CCC2)cc1	125678773	QWRWRYXWPSJWPW-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
Cc1ccc(N)c(-c2ccc(C(C)(C)C)s2)c1	125890358	ZNLBTYOFKGPDCD-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H](C)CC1CCCC1	128579650	WZDDDLDRCWNXGR-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](C)C[C@H](C)[C@H](NCC)c1ccccc1	128628592	BLWNKCCXRIJONN-ZOBUZTSGSA-N	247.426	4.800	0	10	BJAE	
CCCC[C@H](CC)COc1cc(C)ccc1C	130377206	WUQLUYWOADMVSN-HNNXBMFYSA-N	234.383	4.899	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CCC(C)(C)C[C@H]1C	155838313	XVUMHAUOLZCIPQ-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@@H](CCC1CCCCC1)NC	158400347	GHGUYJBROLUGAT-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C)[C@H]2C)cc1C	227002514	DQGDYMJXPJHRRV-BJJXKVORSA-N	231.383	4.540	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)c1ccccc1C	229429352	OPGXIEKQWMWMCP-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
CCC1CCC([C@@H](N)C2=CCCCCCC2)CC1	232901735	RWESORDIZWYMAI-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
CCCC[C@@H](CC)c1c[nH]c2c(OC)cccc12	232997501	RCKJUFBDAFQHKG-GFCCVEGCSA-N	245.366	4.860	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H]1CNc2c(Cl)cccc21	233820563	QWVUJBSLQLIDNV-JQWIXIFHSA-N	237.774	4.531	0	10	BJAE	
CN[C@@H](C1=CCCCC1)C1CCC(C(C)C)CC1	234437164	BNBRVZASPBBEKZ-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
Clc1cccc(Cl)c1N[C@@H]1C=CCCC1	236041164	GCSJFKCOOZXBND-SECBINFHSA-N	242.149	4.514	0	10	BJAE	
FC(F)c1c(Cl)cc(Cl)cc1Cl	238562501	TXYIYTUUIOPOPU-UHFFFAOYSA-N	231.456	4.584	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)[C@H]1CC1(C)C	300424934	NKDGTNPGZNLTQO-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccc(OCCCCCF)cc1	302537892	SOIYMMQBQYKEIF-UHFFFAOYSA-N	238.346	4.503	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C1(C)CCCC1	305980292	RGKRKCNRRZDMSI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)c1cccc(C)c1C	308068746	ZSPSFCCKANGKSC-WBVHZDCISA-N	247.426	4.766	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](NC)C1CCCCCC1	308104426	UIOQZAIFMFEIEL-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)CC1(C)CCC1	310135585	LWVOJGIOYKSNCA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CCCC1)C(C)C	310348034	GKSJDVZSNLTWIX-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](O)CC2CCCCC2)C1	310387735	ICRQESQRIGJQGW-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](N)c1ccccc1C(C)C	310430575	NBDCXILGYWHOJG-INIZCTEOSA-N	233.399	4.780	0	10	BJAE	
C[C@@H]1C[C@H](C2CCCCCC2)Nc2ccccc21	310679484	KMQVDCPUUZDZEA-CXAGYDPISA-N	243.394	4.945	0	10	BJAE	
CCCC1([C@@H](N)c2ccc([C@H](C)CC)cc2)CC1	310948452	QIJJOPTWUWOSIX-CJNGLKHVSA-N	245.410	4.780	0	10	BJAE	
C[C@H](CCNC(C)(C)C(C)(C)C)c1ccccc1	311231962	UBJSZUBOLFXCJG-CQSZACIVSA-N	247.426	4.595	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](CN)c1ccc(C(C)C)cc1	319553625	GVJAKGVCAJTKMM-JJRVBVJISA-N	247.426	4.535	0	10	BJAE	
CCCN[C@@H](c1c(C)cccc1C)[C@@H](C)C(C)C	319554540	JVFFUKJTZOWLOZ-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CC(C)[C@@H](C)n1ccc2cccc(Cl)c21	319614742	NWWIDJYFFJBGSC-SNVBAGLBSA-N	221.731	4.512	0	10	BJAE	
CCC[C@@](O)(CCC1CCCCC1)C1CCC1	322379574	LITGKHRVYWSCMC-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H](C2CCC2)C2CC2)CC1	324887736	FSPBBJCWKWEXDR-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N[C@@H]2[C@@H](C)CCC[C@H]2C)cc1C	380660729	HLDNJOJUZDAWOP-LAQFHYBYSA-N	245.410	4.794	0	10	BJAE	
C[C@@H](CNc1cccc2c1CCCC2)C(C)(C)C	380989427	FABFKDWGQRKVBT-ZDUSSCGKSA-N	245.410	4.660	0	10	BJAE	
CC(C)CCCCCC1(O)C[C@@H](C)C[C@H](C)C1	383523829	LFVLTSCXNAWZSE-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1cccc(NC(C(C)C)C(C)C)c1	383775613	IMJOTLRQXWBGMN-UHFFFAOYSA-N	233.399	4.903	0	10	BJAE	
CCCc1ccccc1-c1ccccc1C(C)=O	384535957	DNOGSHLIOCCAKA-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)CC(C)(C)C	384602500	NVHPJJZMCPNSJB-ZIAGYGMSSA-N	227.436	4.760	0	10	BJAE	
C[C@@H]1CCC[C@@H]1c1nc(-c2ccccc2)cs1	385093886	YLJJJGSRSNBRFD-YPMHNXCESA-N	243.375	4.714	0	10	BJAE	
CC1(CC(=O)c2ccc3ccccc3c2)CCC1	386475617	HGIGQTDCCNELOW-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CCC2CCCC2)C1	393833159	LPFDWAAPIKBNJV-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CCCCCC(C)C)[C@H]1C	394803112	GFAIUXVCGLRAST-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@H](C)c1ccccc1	395113984	DVIWOVMQAQSXGC-GDBMZVCRSA-N	248.410	4.758	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1cc(C)cc(C)c1	395128892	QBKNPGPXAHDKMY-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CSc1cc2c(C)ccc(C(F)F)c2s1	396413909	YXICQEPYUMRZTE-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@@H](Nc1ccc2ccccc2c1)[C@@H]1CC1(C)C	397645925	ZIACRQPHAXJAMV-WBMJQRKESA-N	239.362	4.686	0	10	BJAE	
c1cc2cc(NCCC3CCC3)ccc2s1	398603884	BZYFUROMSUNDSD-UHFFFAOYSA-N	231.364	4.503	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)[C@H](C)CCC	402373368	ZZMGBXJZQJDPHX-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
c1ccc2c(c1)CC[C@H](c1coc3ccccc13)N2	404325979	VAARTYBKVHRJJV-MRXNPFEDSA-N	249.313	4.532	0	10	BJAE	
CN[C@@H](CCCC1CC1)CC1CCCCCC1	405735967	NLDPPSHGALUYTP-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccccc1[C@H](O)C1(CCC)CCC1	686920714	HJCZNEYJWNIHES-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CCC1(CNc2ccc3sccc3c2)CC1	687534353	MCYHMRFMMXUJGM-UHFFFAOYSA-N	231.364	4.503	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC1CC(C)(C)C1	690206371	DONFXALXPXQYSO-UHFFFAOYSA-N	245.410	4.720	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CCCCC[C@@H]1C	691104513	RWAIALJCQPPWFY-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
C[C@@H](CN[C@@H]1CCC12CCCC2)C1CCCCC1	693797460	SNJYNRMSJDJGBJ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C(=O)CC(C)(C)CC(F)F)C(C)C	694654981	DZKSGOKRIAOLGL-UHFFFAOYSA-N	248.357	4.555	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@H]1CCC[C@H](C)C1	696551237	RFEYKMQXPAGTTH-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCC[C@@H](C2CC2)C1	696678973	QDSBGQWMOJTBDC-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC([C@@H](NC)C(C)(C)CC)CC1	701098428	BVLMJVWVNXUNFE-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CSc1cccc(NCCCCC(C)C)c1	703986589	HGFDKKPEYVXSQQ-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CCCC[C@@H](CC)C[C@](N)(CCC)C1CC1	705366265	JZJKKEHEEOHWEU-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC(C)NC[C@@H](C[C@@H](C)CC(C)(C)C)C(C)C	709123354	KGCNWLDADHZRBX-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C(=O)C[C@H](C)CC(C)(C)C)CC1	709210479	IEKHBHPTQYBALU-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O	713219718	XKEGZOHCRMPLNX-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1cccc(Cl)c1	713314542	LAZZCDYJESRLCI-UHFFFAOYSA-N	238.758	4.595	0	10	BJAE	
C=C/C=C/CCCc1ccc(F)c(Cl)c1	713743310	AFYOOPCTGAZPQG-ONEGZZNKSA-N	224.706	4.544	0	10	BJAE	
CC[C@H](N[C@H]1CC(C)(C)CC[C@@H]1C)c1ccco1	717548200	DEVZXPHRLMIAEH-IHRRRGAJSA-N	249.398	4.535	0	10	BJAE	
CCC(=O)c1cccc(-c2c(C)cccc2C)c1	717714859	AGTSHOJTHYLITP-UHFFFAOYSA-N	238.330	4.563	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC1CCC=CCC1	718054619	XRGNAJLMBSTSTF-HYVNUMGLSA-N	249.442	4.536	0	10	BJAE	
CCCC[C@@H](CC)CC1(CO)CCC=CCC1	718143185	ATYWWZHWPGZZNP-OAHLLOKOSA-N	238.415	4.702	0	10	BJAE	
CC(C)=C(C)CCc1cc2cccc(F)c2o1	718646937	JAOYKKBORRXCLV-UHFFFAOYSA-N	232.298	4.861	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)CC1CCCC1	720358501	MPQQZRGDANZHOU-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CNC2(CCCCC2)[C@@H]1C1CCCCCC1	721028704	LZLLOUWYBYUNFT-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	723633281	FFAKWTRBHIQVDB-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc(-c2ccc(NC)cc2)cc1	723898195	NDUZPTGODTTYNI-UHFFFAOYSA-N	239.362	4.738	0	10	BJAE	
CC[C@@H](N[C@@H](C1CCCCC1)C1CC1)C1CCC1	724000677	RBDKPWHNXGTSNJ-SJORKVTESA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(CNCC[C@@H](C)CC)CC1	1560527209	ZMLJACVATPJVNA-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)CCC=C(C)C	1659830775	GJYIYTJTBVHELN-GJZGRUSLSA-N	225.420	4.680	0	10	BJAE	
CC(C)Sc1ccc(Oc2ccccc2)cc1	1775954574	SCRWSDXGVKTEHB-UHFFFAOYSA-N	244.359	4.979	0	10	BJAE	
CC(=CCCNCC(C)C)C1CCCCCC1	1877930512	HBJBLOYNZWOCLD-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(=CCC1=CCCCO1)CCCC(C)C	1900903331	MWLGYOQSMSTEBS-UHFFFAOYSA-N	222.372	4.843	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@H](C)[C@@H](C)C1	1902381731	QQPPOXQQZSPWDD-GMXVVIOVSA-N	237.412	4.547	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC[C@@H](CC)C1	1905301513	GJQCXOZBQHGGOM-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)C(C)(C)CCC	1905355080	WDDIROKNYNKOSI-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CC[C@H]1CC1(C)C	1905433987	IWGUIRPQAPXGFI-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](N)C1(C)CCCCCCC1	1907073168	XBCRDXVUPLKXHZ-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCCCc1cc(F)ccc1Cl	1911784329	SHZVSIWLKJSULD-UHFFFAOYSA-N	224.706	4.544	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(CC)cc1	1911909506	MBOUBFGYPMROPP-CYBMUJFWSA-N	202.341	4.709	0	10	BJAE	
C=CC=CCCC(=O)c1ccc(C(C)(C)C)cc1	1911926714	MOMBRRHKACMVCH-UHFFFAOYSA-N	242.362	4.689	0	10	BJAE	
CCCN[C@H]1CCCCCCCC[C@H]1CCC	1913396447	UVZXFIHRKXLIKH-CVEARBPZSA-N	239.447	4.905	0	10	BJAE	
CC1(C[C@@H]2CCCCCCCC[C@H]2O)CCC1	1913397394	FXDRZGPULVNNLC-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CCCCC2)C1)C1CCCC1	1915872689	TYVZQOKGNHBDRN-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1CCC[C@H](CC)C1	1919973529	IGHFGQAYCSZGAE-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
CCCC1CC(CCC(C)C)(CNC(C)C)C1	1921271996	PQPGRAYNJFBTSA-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@]1(CN)CCC[C@H](C)CC1	1939903588	OLISBOOKIDLTHR-LSDHHAIUSA-N	225.420	4.502	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1(C)C(C)(C)C1(C)C	1940282130	HNHGNQMOUGDWTR-GFCCVEGCSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@](O)(CC2(C)CCCCC2)CC1	1940406502	GRYWODHEMQXNRE-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)CC1(C)CCCCC1	1940410864	VIXMKUHPVBZYHL-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@@H](C)C1CCC1)C(C)C	1941273631	UDFGVNDDWMKDJC-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CCCCCC1CC1	1941582607	YHKRYWCVDHGHND-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)CCC(F)F	1942300976	WELGPEHKRIFEHN-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H](C)CCC(C)C	1942658005	GDAZSQDYALXKAS-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](NCCC1(C)CCCCC1)C1CC1	1945433340	ZUOOMQGJKBMYTB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(c2ccccc2C[C@H]2C=CCCC2)CC1	1947565210	NIIIPBDMASHXTD-AWEZNQCLSA-N	226.363	4.637	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(O)[C@@H](C)CC(C)C	1948334098	WRMOUPFWJNMJGV-XUWVNRHRSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CC)[C@H](N)[C@@H]1CC[C@@H](C)[C@H](C)C1	1948920336	BTQASGMTSNALOU-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CC(C)(C)CC2(CC2)C1	1949090420	ZPVSYOGIHMENDS-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC[C@@H]2CC2(C)C)CC1	1950921087	BNZWTJJFBJQDQE-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)c1ccc(OCC2CC3(CC3)C2)cc1	1968299463	UNPBFZWOECKGRX-UHFFFAOYSA-N	244.378	4.553	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC1C[C@H]2CCCC[C@@H]2C1	1969956027	XYEMNTJADQLLKL-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)CCC1CC1	1971390453	WTPYLRHSZWVTCW-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1NC1CC2(CCCCC2)C1	1972428722	PKAKNLINENSIEQ-HOCLYGCPSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC(=O)[C@H]1C	1982803317	UQGCQODLSMVRPG-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](CC(=O)C[C@@H](C)C(C)C)C(C)(C)C	1988303542	VRBMDTKFHMCZBD-OLZOCXBDSA-N	226.404	4.700	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](C)CCC=C(C)C	1988794366	ISJGRARXBCXBKA-KKUMJFAQSA-N	225.420	4.536	0	10	BJAE	
CCCC1CCC(CCC(=O)C(C)C)CC1	1989837927	ZQFAPQTWQRLFNI-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C1=C(CC2CC(=C3CCC3)C2)[C@H]2CC[C@H]1C2	1993601516	VYTNXEALYFMXOS-FZMZJTMJSA-N	214.352	4.623	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C(C)(CC)CC	1995207501	ZXWXAFZWDWTCKB-ZDUSSCGKSA-N	226.404	4.988	0	10	BJAE	
CC1CCC([C@@H](C)NC2CCCCCC2)CC1	1996547691	OZVZBFGDWRMCRO-SHARSMKWSA-N	237.431	4.514	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2CCC[C@H](C)C2)CCC1	2000196358	HNOVCXMPZQFYSJ-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@H](CCCC(C)C)NCC)CCC1	2000377056	SIBCZEXPEWVFOR-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@@H]1CC1(C)C	2000516448	WRDRGQFLYRIZKT-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)CCC[C@@H]1CC1(C)C	2000908635	ALCBUIBNFLUYPB-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(CC)C(=O)[C@]1(C)CCCCC1(F)F	2002582087	JGFPCRRTNXTHFI-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CCC1(C[C@@]2(CN)CCCC(C)(C)C2)CCC1	2002972924	ATBXXBMFDMIUNS-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCN[C@H]1CCCCCC[C@H]1CC(CC)CC	2003102560	YHNHFDRELPNKCV-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@H]1CCC2(CC2)C1	2003199324	UPPHLAQHCQPREM-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2003217416	JTUDVDGYJFJVNV-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@H]1CCCC2(CC2)C1	2003275541	OGOAGPDGJHCJMJ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
N[C@H](CC[C@H]1CCC=CCCC1)c1cccs1	2003686828	YTXRYXLQLRIBGY-UONOGXRCSA-N	249.423	4.665	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(O)CCC(CC)(CC)CC1	2004353533	QGCLMGMVAAWTRU-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C)cc(NC2CC[Si](C)(C)CC2)c1	2006999245	XLQSOSYWHHNHHK-UHFFFAOYSA-N	247.458	4.586	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)CC1(C)CCCC1	2007622660	NQHBRYULOITNQI-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010711689	CIZUHXPHSIEWPJ-CABCVRRESA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)C(CC)(CC)CC)CC1	2010748444	NYYWGXCWQUXVLI-UKRRQHHQSA-N	237.431	4.667	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)C1=CCC(C)(C)CC1	2010763524	LMIUNBKVGMUASI-OCCSQVGLSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(CC)CN(C)C1C[C@@H](C)C[C@H](C)C1	2011177297	DLCIBXGCMXXGAZ-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CC[C@@](N)(CCCCCC1CC1)CCC(C)C	2013267077	NNZMETHTQFPPOX-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](CC)c1ccco1	2013322171	LFFHUVMBPCGIOI-ZIAGYGMSSA-N	237.387	4.535	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)C1CCCCCC1	2015268652	FHHMJZACRLYVBP-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC(C(C)C)C(C)C)C1	2015375580	CCEBCPZSCWZQNV-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(C[C@@]1(N)CCCCC[C@H]1C)C(C)C	2015396773	GCYBBRJIUHGDEL-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(CC[C@H](C)CNC(C)(C)C)C(C)C	2015408542	KFQCPCUSADVEAM-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCCC1(COc2cccc(C)c2C)CCC1	2015595696	NNHMKSHXHSZHEE-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CCCC1(C[C@H](N)CC(C)(C)C2CC2)CCC1	2015639919	MFJCVJPEPPWWOE-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@H](C)C(C)C)CCC1	2015645054	RHYDDBGXZLABGG-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)C2CC=CC2)c1	2016343297	KLWKBCRLYLNLBA-ZDUSSCGKSA-N	229.367	4.577	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)C1(C(C)(C)C)CCC1	2017153870	CDAHCTWCLOAMIU-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)CCC2CCC2)CC1	2017657493	FYZAYYDKUWISRL-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC)[C@@H](C)CC1CCC(CC)CC1	2017722564	QLQHNBZIIXQCEU-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@H](NC)C(C)(C)CC)CC1	2017725161	QEKSUDLQNKRZCL-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C(C)(C)C2CC2)CC1	2017773379	ZVUNNMVCSMCDFM-JOCQHMNTSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1[C@H]2CCCC[C@H]21	2018136155	IDLIIVSUBKCQQW-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCC1(COc2cc(C(C)C)ccc2C)CC1	2018910118	HWHWUCIEPYGTTE-UHFFFAOYSA-N	232.367	4.687	0	10	BJAE	
CCCCCCN(C)CC1C[C@@H](C)C[C@H](C)C1	2019938488	MQQKOCNRMOFWDJ-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCCCN(C1CC=CC1)C1CCCCCC1	2020505161	YGZXFVJAAUEQDD-UHFFFAOYSA-N	235.415	4.530	0	10	BJAE	
CC(C)=CCC(=O)c1sc2ccccc2c1C	2023322627	OOMNNFUKJFOJJL-UHFFFAOYSA-N	244.359	4.749	0	10	BJAE	
CCC1CC(C[C@H](N)CCCCCC(C)C)C1	2025435113	IBEZPBOBZNUROR-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@H]1C=CCCC1	2026147553	VAVXZJUOKKBVLA-XHSDSOJGSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CC1CCC1)NCC	2026169351	HZGSZEOUQILJFP-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)[C@]12CCC[C@H]1C2	2028630305	ZGSVAKUOPXSVFY-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2CC3(CCCCC3)C2)CC1	2028881847	VEQGJGBBUMEITI-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
O[C@@H](CCCC1CCC=CCC1)c1ccccc1	2028905069	ABIRFNIFBIOVAQ-KRWDZBQOSA-N	244.378	4.637	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@]23CCCC[C@@H]2C3)C1	2031830402	YFRUAIXMFRKQJG-HNLJFRNMSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)C23CCC(CC2)C3)C1	2031830629	ZGDKYVRFMGUUFU-MVSUIGJRSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C(=O)C[C@@H]1CCC[C@@H]1C)c1ccccc1	2032478916	AXTOIWYJNUNIDQ-BPUTZDHNSA-N	244.378	4.576	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNc1cccc(C2CCC2)c1	2032512437	AXPKFPMHCOWMSC-CZUORRHYSA-N	243.394	4.802	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H]1CCC(C)(C)C1	2033396734	YCFXLIGHQRRHDV-HOTGVXAUSA-N	249.442	4.703	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2033558394	KOTNOTIHMUKDEQ-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(N)CC(C2CCCC2)C1	2033782335	IPYBGZUFYJPZSX-MHABSNSOSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)C[C@H]2C=CCC2)cc1	2035553090	UCXSPAYNVHQSKK-ZDUSSCGKSA-N	242.362	4.523	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C2(C)CC(F)C2)cc1	2035854644	ILWOOSOGFPJBLW-WJFWJRBTSA-N	248.341	4.521	0	10	BJAE	
CCC1(C)CC(C(=O)c2cc(C)c(C)cc2C)C1	2036474824	BCHMKWDDPPFRMH-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(N)CCCCC12CCC2	2037177942	ILETUQLPGACMTP-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1c2ccccc2NC[C@@H]1C	2037223623	JYFWCQWOICCHES-OFQRWUPVSA-N	245.410	4.904	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)[C@H]2CCC3(CCCC3)C2)C1	2037683083	QEGJRQFLSMNABB-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)CC1CC(C)(C)C1	2037969953	MQDCSGOYCXWOOG-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@H](C)[C@H](C)CC)c1ccccc1	2038130378	FQOLJSYAOHMYDP-HLLBOEOZSA-N	247.426	4.800	0	10	BJAE	
CCCC1CCC(NC[C@@H]2CCC3(CC3)C2)CC1	2038580247	TYAVRFXIIVDJPW-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1	2039383602	HTXFOMGBXCISKQ-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(CC(C(=O)C[C@@H]3CC=CCC3)C2)C1	2039424731	UKWMDIJHOFHXEI-CYBMUJFWSA-N	246.394	4.518	0	10	BJAE	
C[C@H](N[C@H]1C=CCCCC1)C1CCC(C)(C)CC1	2040636536	SBISJXYZUVRRTG-HOCLYGCPSA-N	249.442	4.680	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@]2(C)CCCC2(C)C)C1	2041727949	FTQCESDGFVRJPV-JLJPHGGASA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)C1CC=CC1	2042025378	UUHHYLXEPZCMCA-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1NC1[C@H]2CCC[C@H]1CC2	2042047331	JMNGRIWKAOWVME-KBPBESRZSA-N	243.394	4.801	0	10	BJAE	
CC1(CNCC(C)(C)C2CCCCC2)CC=CC1	2042075516	BPSGGWRTHOUXFR-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)C1CC(CC2(N)CC3(CCCC3)C2)C1	2043005108	RKTUYFMMNDSCNS-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)CC1=CCCCC1	2043188120	RCHSCMWOIBMNQS-OIISXLGYSA-N	249.442	4.824	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1	2045452265	ZMTVHAYHQRYVQJ-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)[C@H]1CCCC(C)(C)C1	2045682127	IJEWWRYLEVXXNH-SOUVJXGZSA-N	248.410	4.764	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1C(C)=CCC[C@@H]1C	2045741124	OEDANJVNYOGCFQ-GVDBMIGSSA-N	249.442	4.703	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C1(CCC)CCC1	2045813403	PPHKVGPRUFEYPP-MRXNPFEDSA-N	249.442	4.847	0	10	BJAE	
C[C@@H](N[C@@H]1[C@H]2CCCCC[C@H]21)C1(C)CCCCC1	2048385543	LGKKETVHWKNNAJ-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
O=C(CC1CCCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048472024	UDYRPWKWZBVNIA-FVQHAEBGSA-N	248.410	4.742	0	10	BJAE	
O=C(C1CCCCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049195713	SJVIEJMTIKJNNP-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CCC2)[C@H]1CCC[C@@H](C)C1	2049533440	RCZWRZCXLJADOM-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
C1CCCCC(N[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2049674965	IRDDOTKJAJELDL-SCAQPMJSSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@H]1CCCC2(CC2)C1	2049850651	ZJDGYMXUWIMANU-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCCC2(CC2)C1)[C@@H]1CC1(C)C	2049862057	FAGZEGLJUZNGLI-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC=C(C)C)c1cccc(C(C)(C)C)c1	2051399408	CMARAWAHKDZZSX-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CNC[C@@]1(CCCC2CC2)CCCCC12CCC2	2053352947	XDJGZOPRSYXWSK-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)NC[C@]1(CC2(C)CCC2)CCCC12CC2	2053360364	VBKRQDYXEIWIIE-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNc2ccc(CF)cc2)C1	2055668768	WSYJYUOVRXZGTK-HIFRSBDPSA-N	249.373	4.784	0	10	BJAE	
C[C@@H](CC(=O)C1(C)CCC2(CC2)CC1)C1CCC1	2056537597	XVKPVRUBEFHCAG-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@H](N)CC2CC(C3CCC3)C2)CCCC1	2056640520	PXVIGJFOSLXUOP-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
OC1(C=C2CCCCC2)C[C@@H]2CCCCC[C@H]2C1	2056861932	DHKYSTMMNBATSN-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H]1CCC[C@H]1C(C)C	2056881431	DZHXKWLCQXUBFC-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2CC(=C3CC3)C2)C1	2061700157	UXMXPTQGJBZCDH-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
COc1cccc(CCC2CC(=C3CCC3)C2)c1	2061726242	NRZFYONJIMYYPM-UHFFFAOYSA-N	242.362	4.518	0	10	BJAE	
CCCN[C@H](CC)CCCC1CC(=C2CCC2)C1	2061729413	WHEPQLGWYMNTPY-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)C12CCCC1CCC2	2063822817	WTKGWMNKPRBIAS-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN(C)c2ccc(C)cc2C)CCC1	2069267420	AUXYDMRRDSWXAF-UHFFFAOYSA-N	245.410	4.710	0	10	BJAE	
CCC1(CN2CCC3(CCCCC3)CC2)CCC1	2069325690	FVXGXBZKFHQMHD-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCC1(C[C@]2(N)CCCC[C@H]2C2CC2)CCC1	2069344783	OCXAABWOBDPQSA-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC1(CC2CC2)CCC1	2069508048	ZINKZNNOYIPFRU-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CCC(N)(C[C@]23CCC[C@H]2C3)CC1	2070966415	HWLAJSAGXHXJBM-OBKBAYEDSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C[C@H]1C[C@@H]1CC	2071511520	OTCPNFWSZSKCBK-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C[C@]2(CN)CCC23CCC3)CCC1	2071946121	MUZOGEZZYAWMQI-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
CCC1CCC(C[C@@H](NC)[C@]2(C)C=CCC2)CC1	2072807745	ZFRZSGVDAGLXQJ-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@@H](NC)[C@H]2CC=CCC2)CC1	2072808366	FYFZXWLYCUJENJ-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1	2072882059	QZRXYOAZFJHRLQ-GQWUXDJYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@](C)(NCC2CCC3(CC2)CC3)C1	2073064583	UWSUSLHYUUIKPU-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC(=O)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2074591446	QHNVYKWHGJAWNZ-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CN([C@H]1CCCCC12CC2)[C@H]1C=CCCCCC1	2074796167	DVXIQKOXQUBSPZ-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
CC(C)C1(CN(C)[C@H]2C=CCCCCC2)CCC1	2074797185	NYSDPHLXFACJPI-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@]12CCCC[C@H]1CCC2	2077185798	VOTXNOJXRGZMJL-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@H]1Nc1ccccc1C1CC1	2077262854	YQPBYEZBCVHJPJ-LRDDRELGSA-N	243.394	4.801	0	10	BJAE	
CCC[C@@H](Nc1ccccc1C1CCC1)C1CC1	2077264134	KLWKDLXAEIUEHM-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CCCCCc1ccc([C@H](N)CCC2CCC2)o1	2077981508	ASCSDPYVWYPKOH-OAHLLOKOSA-N	249.398	4.592	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1C[C@H]2CC[C@H]1C21CC1	2078335684	XHLHLAQEBJMALN-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2C[C@H]2C2CCCC2)c1	2079802494	KMYYXSCDHVBNSD-CVEARBPZSA-N	244.378	4.509	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1cccc(C(C)(C)C)c1	2083545174	HDVCMTAMLHWEAW-SWLSCSKDSA-N	244.378	4.603	0	10	BJAE	
CCCC(CCC)NCC1C2(CCC2)C12CCC2	2083558735	IFYPIKWQZYGMIL-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@H](F)C1CCC1	2083780013	HXQYCJHWHKOHDP-AWEZNQCLSA-N	249.373	4.534	0	10	BJAE	
CC1(C)C[C@H](N[C@H]2CCC23CCCCC3)C1(C)C	2084368464	PLIJMRJGKUDMTJ-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@@H](CC[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2210344730	QAPRZSZXJHHYJH-LVQVYYBASA-N	218.384	4.949	0	10	BJAE	
CCC(CC)C[C@@H](O)CCCCCCC1CC1	2213577996	HQVIPWPGQKRKMA-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H]1CCC(C)(C)CCC1=O	2215323468	DXVXCFKTXVCZLT-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCC[C@H](C(C)(C)C)C1	2216252482	KJMJHGNJGCVYET-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)n(CCCCCCCC2CC2)c1	2216902884	RELDCTXEAZLCTM-UHFFFAOYSA-N	233.399	4.856	0	10	BJAE	
CCC1CC(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218378964	XXNGBKVJPQSGHZ-PJPMVMIDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC=Cc1ccccc1)CCNC(C)(C)C	2219093060	XJQHBMKXENANDC-HNNXBMFYSA-N	245.410	4.504	0	10	BJAE	
CN[C@H](CCCCC1CC1)c1ccc(C)cc1C	2220024343	DXJSJPFVDJIOCU-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCC1(CC)CC(Nc2ccnc(C(C)C)c2)C1	2220883598	SMPHHCUDBZEWKW-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
CC(C)c1cc(CC2CC(=C3CCC3)C2)ccn1	2220887363	HSJFXEILZQCDPR-UHFFFAOYSA-N	241.378	4.638	0	10	BJAE	
CC[C@@](N)(CC1(C)CC2(CCC2)C1)[C@H]1CC1(C)C	2221017760	WJULRSPSKZQEDO-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1CC1(C)CC2(CCC2)C1	2221039413	JADMNUSTOWUIBH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(CN(C)CCCC2(C)CC2)CC1	2221608227	XIDQZYVSILRFHH-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CN[C@H](C[C@@H]1CCC[C@@H]1C)[C@]1(C)CC=C(C)CC1	2221620335	YNDDTZSPENQSHL-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C(CCCN[C@@H]1CCC[C@H]2C[C@H]21)CCCC1CC1	2223107487	YNSCXCDOCWLENE-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCCCCCC1CC1)[C@@H]1CC12CC2	2223132283	ICIPOZISMFMFGT-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CCN[C@@H]2CC[C@H]12	2223158227	HNDVPTZZLSQFEY-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@](C)(O)CCCC[C@@H]1C[C@H]1C	2243040430	SGLXPBOVOIMVCA-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCC[C@@](O)(CC1(C)CC(C)C1)C1CCCC1	2246523741	JUEMQMSMXQCKMS-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](O)CCC2(C)CC2)C1	2246662979	CSGOUGURNWODGX-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC1CC2(CCCC2)C1	2246791085	MPHKXOYOWARZRB-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(C)CCC[C@@]1(C)O	2248804809	AYMRSGADGPCRMA-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(O)CC1CC(CC(C)(C)C)C1	2251492708	NHZAOJLCTHKKCD-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CCC(CC)C[C@H](N)C1CC(CC(C)(C)C)C1	2251537490	XIEMRIOHNUQFFT-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CC1CC(CCC(=O)C(C)(C)C)C1	2251563003	PEEWGMNBWHEPRP-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
Cc1cccc(NCC[C@@H]2CCCCC23CC3)c1	2253892280	UIVVZSUYROWBIA-HNNXBMFYSA-N	243.394	4.767	0	10	BJAE	
CC1CC2(C1)CC(C(=O)[C@H]1CCC[C@@H](C)CC1)C2	2254447605	KYGOANONBYNLIK-IJVKEESMSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCCC[C@@H]2C[C@@H]2C)c1	2254603962	FXALIPXGHKOBMA-ZMSDIMECSA-N	245.410	4.520	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H]2CC[C@H](C)C2)cc1	2256254591	UAZGOSFDPYMRTP-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
CC=CCCC[C@H](NC)c1ccc(CCC)cc1	2256291221	AQRUWLSILWJVEN-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CCNCC1(CCCCC[C@H]2C[C@H]2C)CC=CC1	2257278868	AKKIXLAJKMXOJL-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@H](N)C12CCC(CC1)C2	2257283237	MNJWLCQOHGIYKZ-JPLDOALUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC(C)(C)c1ccccc1	2259475311	ZQXSQRFUKCBGPL-ZBFHGGJFSA-N	247.426	4.508	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@@]12CCCC[C@@H]1CC2	2260484942	AUIFYQXVNSJEIV-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@]12CCC[C@@H]1CC2	2260516004	KIXJQIUJXUZUBB-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)C[C@@]12CCCC[C@@H]1CC2	2298727364	VUJCZYHEBJCSJU-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC1(C)CC(C)(C)C1	2300476734	GGCHSVOBJYLROD-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC1CCCCCC1)[C@H]1CC[C@H](N)CC1	2301238907	LCWYAXZVKRGJPP-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCNC[C@@H](C)[C@@H](C)CCCC1=CCCCC1	2302358231	DKLULRLNPARANL-LSDHHAIUSA-N	237.431	4.539	0	10	BJAE	
CCCC1(C[C@H](N)CCC[C@H]2C[C@@H]2C)CCC1	2302613945	WWBWQGQCZBSYNU-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@](CNC(C)(C)C)(C(C)C)CC1	2303480792	ORSUPCFCIBINMF-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H]1CCCCCCC[C@@H]1O	2303569492	SJULVXBNPUQVOI-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCC1(C(=O)C[C@@H]2CCC(C)=C(C)C2)CCC1	2303597108	MYSOZNUITQWZEX-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1ccc(C)c(C)c1	2307844570	OEHWPBOQYRDXHW-GDBMZVCRSA-N	234.383	4.553	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@H](CC)CCC	2307894919	TXLWHJRLYZITHL-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@H]1C)[C@H]1CC=CCC1	2308749922	OATRKBHVEXCKRK-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@H]1C)c1ccccc1	2310428048	CDDAPCLJKFQCGJ-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@@H](N[C@@H]1C[C@H]1CCC)c1ccccc1	2311542770	ZJACKNJSUBFQKR-BRWVUGGUSA-N	245.410	4.696	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@@]23CCCC[C@@H]2CC3)C1	2313311610	NPJATVQPFJWOES-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CCc1cc([C@@H](O)[C@H](CC)CC(C)C)ccc1C	2314698535	ZWXZZYKJJIDWDX-WBVHZDCISA-N	248.410	4.663	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H]2CCC3(CCCC3)C2)N1	2315472049	DDJSAYYHVINAHG-XHSDSOJGSA-N	249.442	4.658	0	10	BJAE	
CCCc1cccc([C@](C)(O)CCCC(C)C)c1	2315895363	DMICMNKUURFHLK-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CC(=CCN[C@@H]1CC=C(C)CC1)CCCC(C)C	2316498792	GLPURJBSEADTJD-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H]1CCC12CCC2	2316501357	DOWVCFDWTXSXMO-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)CC[C@@]12CCC[C@@H]1C2	2317962820	OZEYORVWHMWBRU-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1[C@@H](N)CCCC1=CCCCC1	2318566236	VPJYNBXFWGQFDK-JYJNAYRXSA-N	249.442	4.667	0	10	BJAE	
CCCCCC[C@H](N)c1cc(F)ccc1C1CC1	2319176634	SJYVERLPZJHHJF-INIZCTEOSA-N	249.373	4.673	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC[C@@H]2C[C@@H]21)C1CCCCCC1	2319251738	HHFVCVBQPOPHFW-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CCCC[C@@H]2C[C@H]21	2319333826	GZHWDXISLYJKDD-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC[C@H]1CC[C@@H]1C1CC1	2319730646	NWYDXCPHMKLARU-VWNJHIHFSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC[C@H]1CC[C@H]1C1CC1	2319733950	MVTWKSAZHSLHLF-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC[C@H]2CC[C@H]2C2CC2)C1	2319749214	MNQMIKBMNLCXJX-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@H]1CC[C@H]1C(C)(C)C	2320219511	MBLUOFDZXPZJKJ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC1(N)C[C@@H]2CCCCC[C@H]2C1	2320380598	CIWURBKPJIVZMW-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@H]2CCC=CCCC2)CC1	2320389376	ZRTFJSHYZGCSGD-IRXDYDNUSA-N	247.426	4.731	0	10	BJAE	
C[C@H](N[C@@H](CC1CC1)C1CC1)C1(C)CCCCC1	2320521580	RJMMTQNBVDAMSU-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CCNCc1cccc(C(C)C)c1	2320606780	UPHGFAAKGXEHMO-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2321623421	YCRGSAPSUHDNGH-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)C(C)(C)C2CC2)c1	2327789541	KRHGFLFPOGJKFM-MRXNPFEDSA-N	246.394	4.588	0	10	BJAE	
CCCCCC[C@H](C)NC1CCC(C)CC1	20306087	CKTXWCCRYLWFBL-SLTAFYQDSA-N	225.420	4.514	0	10	BJAE	
CCC(CC)N[C@@H](C)c1ccc(C(C)C)cc1	20545078	ZDTBPPSJMABRGU-ZDUSSCGKSA-N	233.399	4.649	0	10	BJAE	
CCCCCNc1ccc(-c2ccccc2)cc1	35022245	DEZJPCVGSAFMRG-UHFFFAOYSA-N	239.362	4.956	0	10	BJAE	
O[C@H](c1ccc(C2CCCCC2)cc1)C1CCC1	36164959	JNJNZPGUFGCONB-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CCCC[C@H](N[C@H](C)CC1CC1)c1ccccc1	70101384	OKFKINKHYPPYFA-PBHICJAKSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cccc(Cl)c2)C1	70562193	FYMXAIAMOJIHMF-YPMHNXCESA-N	237.774	4.721	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cc(C)ccc2C)C1	71106018	BVWYJQBQKKVWAC-CABCVRRESA-N	231.383	4.684	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Nc1cc(Cl)ccc1Cl	83389574	RBQUUWNDGRHWTP-KCJUWKMLSA-N	244.165	4.594	0	10	BJAE	
CCCCCC[C@]1(O)C[C@H](C)CC(C)(C)C1	83502606	CZZUAUPLTYQQSZ-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)Nc1c(Cl)cccc1Cl	83847731	NGZRARGVDQJFBO-QMMMGPOBSA-N	232.154	4.594	0	10	BJAE	
CCC[C@H](C)C[C@](O)(CCC)c1ccccc1	87165764	UHFWSBCXPBIBQS-GOEBONIOSA-N	234.383	4.501	0	10	BJAE	
CCCC[C@@H](NCC)C1CCCCCCC1	87690567	NCLZEZJLQBNIBS-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)CCNCCC	87950053	DRGQCTUBILJWCK-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)c1ccc(CCC)cc1	103976727	KLJIUKLSAKYZLH-LSDHHAIUSA-N	247.426	4.868	0	10	BJAE	
CC(C)c1ccc(C(=O)CCC(C)(C)C)cc1	109708440	RKDBEGCSICAAGP-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)CCC(C)C)c(C)c1	109898975	OUZXMNILPXAZSV-OAHLLOKOSA-N	233.399	4.848	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccc(OC(C)C)cc1C	109912255	GIDFABVEDXEHGJ-GXTWGEPZSA-N	249.398	4.629	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CNC)C1CCCC1	128173700	AJSQTYMYXFGDBH-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@H](Nc2ccc3sccc3c2)C1	129354462	IOQFFEBTSBGARP-ZDUSSCGKSA-N	245.391	4.892	0	10	BJAE	
Cc1csc2c(Cl)cc(Cl)cc12	140447167	UXPPKVMYRAVGSU-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CC[C@H](N[C@@H](C)C1CCCCCC1)c1ccco1	149716331	AHVNCSWZESVYAB-ZFWWWQNUSA-N	249.398	4.679	0	10	BJAE	
CN[C@@H](c1cccc(C)c1)C1CCCCCCC1	159031575	FVPMCJXKRMJLAQ-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCCc1cccc([C@@H](O)C2(CC)CCCC2)c1	159806630	XYVYBYLLQGEDAL-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)[C@@H](C)CCC	161080179	VKMHNQDAEBBYTA-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC(C)(C)C)C(C)(C)C	164692637	HBGJMYUUPKELAY-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CN[C@@H](CCCC(C)C)C1CCCCCCC1	165960868	LPVRKLSDYQRXOM-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1cccc(C2CCC2)c1	169088995	XSFGNUYGKUCVJM-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCC[C@@H](C)C2)c(C)c1	216543729	FVZYLHBUNNBNRB-DAXOMENPSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CC[C@@H](C)[C@@H](C)C1	220574623	OSCPEMFCXDPKAF-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](NC)c1cc(C)c(Cl)s1	226666031	RAFPUWHMJRJXQW-SNVBAGLBSA-N	245.819	4.551	0	10	BJAE	
Cc1ccc(N[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)cc1	226968130	FPDFNLVQABOPHB-LXZKKBNFSA-N	243.394	4.622	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C[C@@H](C)CC(C)(C)C)c1	229472924	XVQRLWMRGPROQB-GDBMZVCRSA-N	247.426	4.766	0	10	BJAE	
CCC[C@H](C)C[C@H]1C[C@@H](C)Nc2ccccc21	233332294	ZKJNZTGWZQUQNR-MJBXVCDLSA-N	231.383	4.801	0	10	BJAE	
C[C@@H](Nc1ccsc1)c1csc(Cl)c1	235227295	MBNIBSIPUAKTLA-SSDOTTSWSA-N	243.784	4.636	0	10	BJAE	
Cc1cc([C@H](N)C2=CCCCCCC2)sc1C	235890301	RUSWBQSOLORKIZ-OAHLLOKOSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](C[C@H]1O[C@@H]1C)c1ccc(C(C)(C)C)cc1	251137674	ZVCKPFMAQGWCGJ-XJKCOSOUSA-N	246.394	4.655	0	10	BJAE	
CCC[C@H](C)C[C@H](C[C@H](C)CC(C)(C)C)NC	253029578	FPNWVWQMOPPTQJ-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)c1ccsc1C	300865683	CZGUHQPYHSHPLL-BXUZGUMPSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H](C)CC(C)C	301012625	ZAWDQTWHIRJIRI-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(O)CCCC(C)(C)C	302277291	INHAUFBSUROMOA-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC(=O)CCC1CCCC1)CC(C)(C)C	304200116	YYVKWRIRYYQKPP-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC(C)C(C(=O)C1C[C@H](C)C[C@@H](C)C1)C(C)C	304402778	OJHCEGAOHNOXGT-CHWSQXEVSA-N	238.415	4.556	0	10	BJAE	
CNCC1(CCC2CCCCC2)CCCCC1	306022533	YQTPBUMZKNPYOI-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCc1cc2cc(SC)c(Cl)cc2s1	306565421	FKGRDRPNNZQIDF-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CSc1c(Cl)sc2ccc(C)cc12	307717670	NNOIPEYLHHRXFK-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](NC)c1ccc(C)c(C)c1	308073467	LNGLWTAKJDLDPN-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@@H](CC)CC(C)C	308100751	RHFNSTSFJRJAHF-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCC(C)(C)C	308110292	MYCDTAQXDPOEPR-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC1CCC(C)(C)CC1	310292038	ZLARMBGWYHCJKN-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CC[C@](O)(C[C@@H](C)CC(C)C)c1cccc(C)c1	310790668	QTHZOFRQPKNOPL-RDJZCZTQSA-N	248.410	4.665	0	10	BJAE	
CNC[C@@]1(CCC2=CCCCC2)CCCC[C@@H]1C	316858769	STEVQGQGAREITJ-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CCCCC1(CNC2CC2)CCCCCCC1	318997193	UOMUYBPNXNGMCO-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@H](NCC2=CCCCC2)C1	379585642	ZCKIJNNEGRJODY-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCCC12CCCC2)C1CC1	380922105	DDRUEWZMKJKVCC-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
Clc1ccc(N[C@H]2CCc3ccsc32)cc1	381604905	PPWPSMJCIFZZOV-LBPRGKRZSA-N	249.766	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCCCCC(C)C)C1	383206957	PDUWWNVLPKSAQH-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CC(C)c1ccccc1-c1ccc(N)c(Cl)c1	383250540	GAFUVQGYAJJVOI-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CC(C)CCCCC[C@H](N)CC1CCCC1	383309455	VMNOWCDISYVDMI-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@H]1CCCC(C)(C)CC1	384492913	MFLPNONHECWOLZ-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CC[C@@]1(CCC2=CCCCC2)CCCCCN1	384884650	VXRIGNDQXQSBTE-INIZCTEOSA-N	235.415	4.579	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCC[C@H](C)C2)ccc1F	385266780	CMSCWUKJELBEIF-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
C[C@H](CC[C@@H](O)c1ccccc1)C1CCCCC1	386447244	DDZJWMIZWPIDOK-RHSMWYFYSA-N	246.394	4.717	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H](C)C1CCCCC1	386563492	VYPACFHURPSWBB-OAHLLOKOSA-N	246.394	4.899	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1CCCC(F)(F)C1	390574344	CBKFIXJXVHBCAM-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCc1cccc(N[C@H](C)CCC(C)(C)C)c1	393879353	JUILQUQRHFNKAM-CYBMUJFWSA-N	233.399	4.876	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)[C@H]1CCCCC1(C)C	393920634	GFZHHAKDRANTDJ-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C)/C(C)=C\[C@@H]1CCC[C@H](CC)C1	394532555	ZDMOKRNNBNFVFG-PLUDAVOASA-N	237.431	4.537	0	10	BJAE	
Cc1ccc([C@@H](O)CCCCCC(C)C)c(C)c1	394860809	LWLNXOXBWZBSGV-KRWDZBQOSA-N	248.410	4.943	0	10	BJAE	
CCc1cc2c(C(F)F)ccc(S)c2s1	396240884	KXPOIOWHTNIMRR-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CC(C)(C)C2CC2)cc1	405884203	PLBQUZMWBZXIOJ-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CCCC[C@@H](CCC(C)(C)C1CC1)NC(C)C	405983345	BIOCIKSFCINTFS-HNNXBMFYSA-N	239.447	4.760	0	10	BJAE	
Cc1cccc(NC[C@@H]2CC3CCC2CC3)c1C	691720015	CFSQFVWENBUHME-GPANFISMSA-N	243.394	4.542	0	10	BJAE	
CCCC[C@@H](CC)CC1(CO)CC2(CCC2)C1	691912273	NOUPPZIMCBRBGC-CQSZACIVSA-N	238.415	4.536	0	10	BJAE	
C[C@H](CC(=O)CC(C)(C)C(C)(F)F)C(C)(C)C	697031172	KXLBOBKTDUPSQB-SNVBAGLBSA-N	248.357	4.699	0	10	BJAE	
CC(C)=CCCn1ccc2c(Cl)cccc21	697790260	OHOLCKUTWOYAQT-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H](CC)CC(F)F	701539676	WRBGMVLXVQZKAY-YPMHNXCESA-N	249.389	4.602	0	10	BJAE	
CC(C)CCC[C@H](O)c1ccc(C2CCC2)cc1	703969619	QSSMPGFMULEANJ-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CCC[C@H](NCC[C@H]1CC=CCC1)C1CCCC1	706755495	QAXIBIHLMBMECC-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H]([C@H](C)CC(C)C)C(C)(CC)CC	709090940	QMVMXKQCWUSVGT-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1ccc(C(C)C)cc1	710232733	QMSMNWCJZSOMGV-OAHLLOKOSA-N	233.399	4.636	0	10	BJAE	
C[C@@H](C[C@]1(N)C[C@H]2CC[C@H](C2)C1)C1CCCCC1	711195314	QYOMNRKBXAKCCR-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCCN[C@@H]2C[C@@H]3CCCC[C@H]32)CC1	712392534	YGGRHQQGOSGQHS-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1ccc(O)c(C)c1	714532635	RPFDWTZQHMKWKI-KTRBRXNASA-N	218.340	4.551	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H]2C=CCCCCC2)C(=O)C1	717536900	XVKYZTOSHDYGFD-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H](C)CC	718571680	JCHCWHDGYXAHMT-ZFWWWQNUSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)C[C@H](C)C(C)(C)C	718601521	QLNUXJXXIQDCSM-UONOGXRCSA-N	226.404	4.556	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](N)CCC(C)=C(C)C	718622799	DRWODFRDXGGABU-IAGOWNOFSA-N	245.410	4.644	0	10	BJAE	
CC(C)=C(C)CCc1cscc1Cl	718697337	DTIOMNSNZAIEHG-UHFFFAOYSA-N	214.761	4.690	0	10	BJAE	
C[C@H]1C[C@H](C(C)(C)Br)CC(C)(C)C1	725261330	HNMAVCHNTCFHKF-UWVGGRQHSA-N	247.220	4.622	0	10	BJAE	
C/C(=C/Cl)CS[C@H]1CCc2ccccc21	1641087079	SAARLXQRCCTTBI-KJJQSCHISA-N	238.783	4.550	0	10	BJAE	
C=C/C=C\CCN(CC(C)(C)C)CC(C)(C)C	1658101695	YVSQTSFVNGBUKP-KTKRTIGZSA-N	237.431	4.513	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccsc1	1890755678	QXAWHGWXJQEUQA-LLVKDONJSA-N	211.374	4.519	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCC(C)(C)C)NC	1905449063	ZSLZIAZCXXQHHE-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC[C@@H](CC)CCC)NCC	1905455243	YSPPYJATHYUNJT-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CNc1ccc2sccc2c1	1910726995	HJBYOBSHOTUUOA-JSGCOSHPSA-N	245.391	4.605	0	10	BJAE	
O=C(C1CCCCCC1)C1CC2(CCCCC2)C1	1912640266	HVOOFVCDGSLIFU-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCCC[C@](O)(CC)CC[C@H]1CCCC1(F)F	1919538735	PSMGGDWYZQPLKE-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCCc1ccc([C@](C)(O)[C@@H](C)[C@H](C)CC)cc1	1920026708	VAXYZHWKIYDQOY-JKIFEVAISA-N	248.410	4.529	0	10	BJAE	
CC[C@@H](CC(=O)CC[C@H]1CC1(C)C)C(C)(C)C	1921412367	GMTYAOTVKVZBBX-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(CN)C1CCCCC1	1924097544	CECQSPYTRYKTPC-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
C[C@H](C(=O)c1ccc(C2CC2)cc1)C1CCCC1	1924136331	RMRORGZOPWVNOE-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H](C)C2CCCC2)cc1	1924142134	NFSJLJMILRXYEU-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@@H]1CC[C@H]2C[C@H]2CC1	1925803649	UVYZBSUCQWIAED-JONQDZQNSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc(C)c(CC[C@@H]2C=CCCCC2)c1	1925832454	GRUKQVAEMHHYLN-MRXNPFEDSA-N	228.379	4.982	0	10	BJAE	
FC(F)c1ccc(C[C@H]2C=CCCCC2)cc1	1925869717	LGLJGQDVBFJOAJ-LBPRGKRZSA-N	236.305	4.913	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1sccc1CC	1938204493	FTVJCCKKNMKSBL-AAEUAGOBSA-N	239.428	4.527	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@](O)(CC2(C)CCCCC2)C1	1940411517	YNUCJZXZKHYOCE-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@H](C)CCC(C)C)c1	1942662262	PRUJLFBRTASPRI-CQSZACIVSA-N	232.367	4.558	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1C[C@@H](C)C[C@H](C)C1	1943040329	NVVRXJFYNRXWPS-YDHLFZDLSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943042029	UKDXDKJFPFMTHG-FICVDOATSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944202115	HOZXKADOLNXUPV-FXUDXRNXSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)C(C)(C)C(C)C	1944667746	GMKGGASHXSPOQZ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](N)CCC1CCCCC1	1944820192	PMRLKHJBQPMYIQ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H](C)CC(C)C)c(F)c1	1948328879	WWYRUOLHMZNZSK-QWHCGFSZSA-N	237.362	4.617	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H]1CCCC[C@H]1C)CC(C)(C)C	1949020441	JCVRNPBBXJEUIT-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@H](N)C1CCCCCCC1	1949046199	YJHBGCSAVIMQAB-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	1949085118	YEQHXDJKZWKPQI-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC(C)NC[C@]1(C(C)C)CCCC(C)(C)CC1	1950920542	WJZMCNNUVKZZPV-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCc1ccc(Cl)c(C)c1	1956824368	QXSRDMRBXPFXDR-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CC(C)CC1(CN(C)[C@H]2C=CCCCCC2)CC1	1966525037	DRGJFIPLSLYRDH-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
Cc1cccc(N[C@H]2[C@@H](C)[C@@H](C)CC[C@H]2C)c1F	1969472569	YKQXEHXJBOIVDH-YPHNTLSLSA-N	249.373	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CC3(C2)CC(C)(C)C3)C1	1970282340	TYDKKUDODXEBEN-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCC1(N[C@@H](C)CCC(C)C)CCCCC1	1975397562	PIMJLXUBFPQBQG-AWEZNQCLSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@](C)(CCCC(C)(C)C)CNC	1978630412	DFTHCRJPEQKERD-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCCCC1CC(Nc2csc(C)c2)C1	1984690022	DVXBRPFQHWEQNC-UHFFFAOYSA-N	237.412	4.827	0	10	BJAE	
CCCN[C@H](CC(C)=C(C)C)c1cccs1	1989663808	GKQODRZGURLWBO-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H](C)C(C)(C)C	1990092974	GGZWVWFQLSWBBS-DZGCQCFKSA-N	228.420	4.780	0	10	BJAE	
CCC(CC)CC(=O)CCCCC(F)(F)F	1993602028	CXDQSFRWNSYRFY-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CC=C(CC)c1csc([C@@H](C)NCCC)c1	1994694412	RILVFPRPILIZIB-LLVKDONJSA-N	237.412	4.622	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCCC1CC1	1995264287	UZRUYSUORBXMGO-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(O)CCCC(C)(C)C2)C1	2000023933	LETXDPAADKBUDL-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](O)CC2CCCC2)C1	2000034988	VXZTTZFXUPKLQZ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CC1CCCC1)C1(C)CCCCCC1	2000337147	YYHGRLDFIUDTJC-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)C1(CCC)CCC1	2000376523	NNXILNUNTZTRNG-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@H]1CC12CCCCC2	2001258429	FMYDJHBUJCEZQF-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@@H](C)NCCC(C)(C)C)CC1	2002928168	WWYSNLQZGWKFMO-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC2CCC=CCC2)CC1	2003067432	SLSYUTGPYUXNLE-CTYIDZIISA-N	234.383	4.518	0	10	BJAE	
N[C@H]1CCCCCCC[C@H]1CCC1CCCC1	2003118901	UBOSDCLPIOZUPA-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@]1(C)C=CCCC1	2003333853	HGNUHPKIIJHCTC-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](C[C@@H]2CCC=CCCC2)C1	2006668692	GFZKTKAXKPIBPW-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@@H](C)CCC)[C@@H]1C	2006978440	JCGBAXFMBGDEJG-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc(CF)cc1	2007024936	MCRWXJHFWAQCJQ-HIFRSBDPSA-N	235.346	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C1(C)CCC(C)CC1	2007694284	STJGJLKIUUBXTO-OGVSOVDVSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)CC[C@H]1CC=C(C)C	2009412700	ZRPVIJDGYCIHOW-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CC[C@H](C)C1	2009634076	DITRGGHWZDHHJL-VTTDZUNHSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](NC)C1=CC[C@H](C(C)C)CC1	2010714826	AKHZOEYEPXXSRM-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C1CCC(C)(C)CC1	2011569979	MCJHGBLVQQICAH-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@@H]1CCC(C)(C)C1	2013311839	MSZWQZGYBWGQBN-HUUCEWRRSA-N	239.447	4.712	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)C2(C)CCCC2)c1	2014338066	MTIXNWARQRNLHF-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)CCCCCC1CC1	2014891893	MJRQVUPNTSQEEC-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2015188448	RWLZNFOSNKTPMJ-XMQYKBBCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CC(C(C)C)C(C)C	2015393852	IEZNHJCDSKNIEY-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CC(=O)[C@@H](CC)CC(C)C)CCC1	2015593102	NKFVTMBSUIQHHD-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H](CC)CC(C)C)CCC1	2015634205	QNUOLBBDUMBLLN-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@](C)(N)CCC(C)(C)C)CCC1	2015645720	UXUWPRYYNUOXLZ-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)c1csc2ccccc12	2017489010	ZPBSIIWDTLUADL-HNNXBMFYSA-N	245.391	4.518	0	10	BJAE	
CC1(C)CCC[C@@](C)(NCCC2CCCC2)C1	2017611982	DWGLLQPZJVZCPE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)CCC2CCC2)CC1	2017724742	ZDSRZBUTJBOWMF-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(CC(=O)C2(C(C)C)CC2)CC1	2017777879	PYJHRVSONWJHEB-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1(C[C@@](C)(O)[C@@H]2CCCC(C)(C)C2)CC1	2018971728	BTCVAFHEZWIXFN-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)CC[C@H]1C[C@H]1C1CC1	2019683613	LOAWDWGHPGSCOJ-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](N)(CC1CCC=CCC1)C(C)(C)C	2019869160	ZYTNHJGNXSRHTB-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CCCCCCN[C@H]1C[C@H]1C1CCCCCC1	2022440127	MLFBXMQSJGOLNJ-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H]1CCC(C)(C)C[C@@H]1CCCC(C)(C)C	2024120514	WOIFKFGNWCTSEI-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)C2(C3CC3)CC2)CC1	2028110017	QMFZELPUOIIHBI-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1CCC(C2=C[C@H](N)CCCC2)CC1	2028110927	BBSVJUGRLKPHKW-AVVWSFFYSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)c1cccc(C2CCC2)c1	2028556762	HDZMUPRSGQOZTF-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cccc(C2(C)CC2)c1	2028561018	WJEDCMFYJNREFP-CYBMUJFWSA-N	244.378	4.747	0	10	BJAE	
CC[C@H](NC1CC(C2CCCC2)C1)C1CCCC1	2033766939	KJZBBIZHLFVWTR-JCYILVPMSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(C2(N)CC(C3CCCC3)C2)CC1	2033780263	BGNRTMZXACLSIE-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@@H]2C=CCCC2)cc1	2035595131	WTJXIOJPZBDPCW-PBHICJAKSA-N	244.378	4.590	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)c1ccccc1C(C)C	2036374175	HTSMQUDLMUMZPR-PBHICJAKSA-N	248.410	4.700	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@H]3C[C@@H]3C2)CCCCCC1	2037130434	NRNZZYQNESMCJM-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCCC[C@@H](CC1CCCC1)NCCC	2038112126	JAXHZPOMRHENDM-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CCN[C@H](CCC1CC2(CC2)C1)CC1CCCC1	2038115578	VQXYVBYREMCXJP-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@H]1CCC2(CC2)C1	2038572203	OUIXYHRKGCMAFS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@@H]1CCC2(CC2)C1	2038584130	TXSRCWQKAYCCIZ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@@H]1CC12CCCCC2	2039075114	ITISMZOOPZPBGM-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc([C@H](O)[C@H]2CCC[C@@H](C)CC2)c1	2039364251	WKSARPIWASWFHK-ISTRZQFTSA-N	246.394	4.553	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1CCC[C@H]2CCCC[C@@H]21	2040312756	GVDRWCVUUXDGDI-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1C=Cc1ccc2ccccc2n1	2040455207	RAMWHOYQAGCFRN-UHFFFAOYSA-N	245.325	4.714	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C2=CCCCCC2)CC1	2040641623	OKYXRGVQTBSYPM-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](N[C@@H]1C=CCCC1)C1CCC(C)(C)CC1	2040679335	AYKVSPATZBDSDS-HZPDHXFCSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@H]1[C@@]1(N)CCCC2(CCCCC2)C1	2040764419	CAOQAVDGFUMOGJ-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC([C@@]2(N)CCCC3(CCCCC3)C2)C1	2040766560	GDQIQCMVVVOCHU-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCCCC[C@H]1N[C@H](C)CC1=CCCCC1	2043186630	GFRGWALEAWGWDL-ZMSDIMECSA-N	249.442	4.824	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H](C)CC1=CCCCC1	2043188184	ROIYQIRSWQETKD-CABCVRRESA-N	249.442	4.824	0	10	BJAE	
CN[C@@H](C[C@H]1CCC=CCCC1)C(C)(C)C1CC1	2045316683	GJNSLRKFEPOVPA-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CCCC(C)(C)C2)cc1	2045448430	AWCSGFGZHOULMH-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CCNC[C@@]1(CCCC2CCC2)CCC12CCC2	2047939163	LHTAAHGSRMQQPE-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2[C@@H]3CCCCC[C@@H]23)CC1	2048390291	YNIVXSFJTRGKTD-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2[C@H]3CCCCC[C@H]23)C1	2048446125	GVSPZBFVDLSISI-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CC(CC)C1)c1ccccc1	2048638538	WNFCOVAINIKLDA-DQPZFDDXSA-N	245.410	4.554	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@@H]1CCC2(CC2)C1	2049856430	LILHPFBMBNSGSI-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@@]12C=C[C@@H](CC1)C2	2050005237	FABUAVBQKQUJPH-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](N2CCCC3(CCCC3)CC2)C1	2051605983	GPOIERYUWKZHSS-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@H]1CCCCC12CC2	2053411522	KLYAHIMANXXZKE-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@H]1CCCCC12CCC2	2053413868	ZHARKOSYQVLFPP-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(N[C@@H]2C=CCCC2(C)C)CC1	2055531778	JTTVCGNBNUMVTA-UYSNPLJNSA-N	249.442	4.680	0	10	BJAE	
C[C@H]1C[C@H](Nc2ccc(CF)cc2)CC(C)(C)C1	2055678191	NDOHHWGUFMSKEU-WFASDCNBSA-N	249.373	4.783	0	10	BJAE	
CCC1CC(CC(=O)[C@@]23CCCC[C@@H]2CCC3)C1	2056665397	CGKJPFHIDHYOAT-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
CCC1(CC)CC(NC[C@H]2CCCCC23CC3)C1	2058833111	JRIOURNGLDOBFE-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NC)C1CC2(C1)CC(C)(C)C2	2059253963	VXXIBSBPZARDHT-LLYBFZRZSA-N	249.442	4.537	0	10	BJAE	
CSc1ccc(Cl)c(Cl)c1C(F)F	2060072918	FHCCWVHUHHIDDB-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
CC[C@H]1CC=C(C[C@@H](N)c2ccccc2C)CC1	2061142995	HFCAOAVTDLCNIU-WMLDXEAASA-N	243.394	4.521	0	10	BJAE	
CC[C@H](Nc1ccc(CF)cc1)c1occc1C	2063682742	ZWWHLMBKQPQUKU-AWEZNQCLSA-N	247.313	4.621	0	10	BJAE	
CCCCCC(C)(C)CNc1cccc(CC)n1	2066357637	VJFSRQNCUYIIOY-UHFFFAOYSA-N	248.414	4.662	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@H](C)C2(C)CCCC2)c1	2067508164	JINVHTAUGAOAFP-HUUCEWRRSA-N	245.410	4.614	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2C[C@@H]3CC[C@H]3C2)CC1	2068767673	GAIFRGUKQXGDIA-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@](C)(N)C[C@@H]2CC23CCC3)CC1	2069176190	DXEITZMYNNOMJS-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CCC2)C1(C)CCCC1	2069216169	WZPKBJHQSIEJHE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](O)c2cccc(C)c2C)CCC1	2069339080	FJTHMMLEWOFCNF-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CCCC1(C[C@@H](O)[C@@H](C)c2ccccc2)CCC1	2069339878	OJSCHWYFFLABLO-GOEBONIOSA-N	246.394	4.512	0	10	BJAE	
CCC1CCC([C@@H](N)C2(CC3CC3)CCC2)CC1	2069516376	ZOGXVEKTILBFRU-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC12CCC(CC1)CC2	2070412968	HKFRABIDGGWYNK-KLAILNCOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(CC(=O)CC23CCC(CC2)C3)CCC1	2071913431	RFKLWCXQDYRBQC-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(F)cc1C(=O)C1(C(C)(C)C)CCC1	2071926891	VAKBUWCRWYKKPM-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
Cc1cc(C)cc(NCC2(C(C)(C)C)CCC2)c1	2071949895	MCWKVLRRQBKVGY-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
CC(C)(C)C1(C[C@@](N)(C2CCC2)C2CC2)CCC1	2071957163	XJQYSMUVJRLWCI-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2072418737	VGVGXIIRSXVJHU-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@]12CCCC[C@@H]1CCC2	2072419614	NNIMAHLBESFTJJ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(CC(=O)C2[C@@H]3CCC[C@@H]23)CC1	2072875847	STFNQHVWHFQTDX-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@H]1CC[C@H](C)CC1	2072880645	YPJYBMMHKXUKOT-CTYIDZIISA-N	244.378	4.784	0	10	BJAE	
CCCC1(C[C@@H]2CCN[C@H](C3CCC3)C2)CCC1	2073783439	VWUJXSLBELTEBF-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@]12CCCC[C@@H]1C2)[C@@H]1CC1(C)C	2074034704	SGUQPZQBYITRII-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCN([C@@H]2CCC23CCCCC3)C1	2075017272	SXKPTISXVQCLKJ-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CN(C[C@H]1CC=CCC1)[C@@H]1CCCC(C)(C)CC1	2075168275	PUZMUTPKUMKACY-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC=CCCC1)[C@@H]1C[C@H]1C	2079228746	ZCLBQTAMTLBGFX-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C12CCC(CC1)C2(C)C	2079840334	BNEJQRDXOUHILW-YFTKNLTDSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCC[C@@H]1C(C)C	2081944116	FLEURQGXMQOFLL-GDBMZVCRSA-N	249.373	4.625	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@@H]2CC23CCCC3)C1	2082975511	JMERTAJVGLUDKQ-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@@](C)(O)c1cccc(C(C)(C)C)c1	2083542698	ZLOFRQPEWGIBFZ-QGZVFWFLSA-N	248.410	4.628	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@H](N)CCCCCCC1CC1	2213574319	RWPWAEDJSSJRFY-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@]1(C)NCCCCCCC1CC1	2213576247	OBXWUISYGLZULE-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](N)CCCCC1CC1	2214585136	TXSCENSJGXQRJM-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
Cc1c(C[C@@H]2C=CCC2)cccc1C(F)(F)F	2214848723	AMQMQJZBABGNIR-LLVKDONJSA-N	240.268	4.523	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](O)C1(C)CCCCCC1	2215254829	VHBGRIFXAHZIGQ-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCC(CC)N(CC[C@H]1C[C@H]1CC)CC(C)C	2215360161	ABXBRBILKPUCSP-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC1(C)C)C(C)(C)CCC	2216283443	RSFKDWPNBUFMPC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC(C)(C)CC)C(C)(C)C	2217126583	BAAHSLFQLFAMHO-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)C[C@@](C)(CN[C@H](C)CC)C(C)C	2217135492	FZZPRNIPVHVKPQ-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCC1CC(C(=O)CC2C[C@H]3CCC[C@H](C2)C3)C1	2218386770	XXNGBKVJPQSGHZ-WJEHIRDRSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC)c1cccc(CCC(C)(C)C)c1	2218534418	NMZMSCFDNJOCDC-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
C(CCCN1C[C@@H]2CCCCC[C@@H]21)CCC1CC1	2218733958	ZICBFJRANASWLS-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(N)CCC(C2CC2)CC1	2218897026	PQEZQBZVDDDRPQ-CRYBEJKASA-N	249.442	4.501	0	10	BJAE	
CC1(C)C2CCC1(C(=O)CCCCC1CC1)CC2	2220013736	NZPCUMKAWIARSH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CC[C@@H]1CCC=CCCC1)C1CCCCC1	2220296370	KBBHSQDRYGDXMS-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@@H]2CCC[C@H](C)C2)CC1	2221631871	ORMOXPQOPGDKCN-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1	2222955877	XLJPRIGCCCAWAA-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1[C@H]2CCC[C@H]21	2223123633	NGSWJVMQODDJJR-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)C(=O)Cc1ccc(C2CCC2)cc1	2223634952	QLTSCKQMXPUMKM-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
Cc1c(F)ccc(N[C@@H](C)CC(C)(C)C)c1F	2246383457	NRAPZQLEJCBAIE-VIFPVBQESA-N	241.325	4.510	0	10	BJAE	
Cc1cc(C)cc(OCCCC[C@@H]2C[C@@H]2C)c1	2247121086	PECUFEIFRAAZBM-LSDHHAIUSA-N	232.367	4.509	0	10	BJAE	
CC1(c2ccc(CC3=CCCCC3)cc2)CC1	2247517427	YZHXCVUAOLKKGR-UHFFFAOYSA-N	226.363	4.781	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CCCC12CC2)NCC	2247621553	ZQQLYUSXWYKYFB-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC1(C[C@H](N)c2csc(C3CC3)c2)CCCC1	2248044726	NXGLFLAJLYPBKV-ZDUSSCGKSA-N	249.423	4.596	0	10	BJAE	
Cc1ccc(Cl)c(CNc2ccccc2C)c1	2248109467	AARSQIGPONFXCM-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)[C@H]1CC12CCC2	2248283841	RVLDQAGDXJGYEX-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCNCC(C)(C)CCCCCC[C@H]1C[C@H]1C	2248795063	DEYCGPNMPKEDFL-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C1(C)CCCC1	2248805706	CHIVYILLTWRCNY-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)C[C@H](O)CCCCC[C@@H]1C[C@H]1C	2248838359	GCCOGFFIROCIHQ-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCCCC1(NCCCCC[C@@H]2C[C@@H]2C)CC1	2248880016	PRYHMYQXCLKYQE-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC[C@@H](N)C1	2250468423	CYQJYQTZHXBJIG-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC=C[C@H]1N	2250480493	GLLFJCXDAIOCKN-HRCADAONSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CC[C@@]1(O)CC[C@@H](C)CCCC(C)C	2250495282	GUCSITNZNIIMJS-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](N)(CC)c1ccc2ccsc2c1	2253068244	QOQFQZBIEWQEDM-HNNXBMFYSA-N	247.407	4.656	0	10	BJAE	
CC1(C)CC([C@@H](N)CC[C@H]2CCCCC23CC3)C1	2253872063	YYXPZRBGVLHESL-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1CC2(CC(C)C2)C1	2254153052	GOOUWTHOUBNCEF-FPLXTJHRSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1CC2(CC(C)C2)C1	2254455349	SDZXUKASELDVGO-ZOWMAVEFSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2CC3(CC(C)C3)C2)C1	2254488901	RKKXTZHOBWTMKD-UMHJVRSCSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CCCC[C@H]1C[C@H]1C	2254613115	ZFHZWQBNRNGMGB-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
CCCc1ccc([C@@H](N)C=C2CCCCC2)cc1	2256296071	MLEUVVJFKBMZTB-KRWDZBQOSA-N	243.394	4.529	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@]2(C)CC2(C)C)c1	2257961313	LNIVNOHQTSFPFV-KRWDZBQOSA-N	245.410	4.832	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNc1cc(C2CC2)ccc1F	2259115792	ILEIUIXUBJYOTF-SMDDNHRTSA-N	247.357	4.551	0	10	BJAE	
CC1CC2(C1)CC(C[C@H](N)CC1(C)CCCC1)C2	2259529164	WNZWBZPTYUWYML-LETWWHAPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](c1cccc(C2CCCC2)c1)C(C)C	2260676126	VQNTXZLPAAKACM-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(CC2=CCCCC2)C1	2261379204	NUDOTTIFBWSENN-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC(C)CC[C@@](O)(c1ccccc1)C1CCCC1	2263752046	ZJAZRTWDZMDJGH-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)CC[C@@H]2C[C@H]2C)C1	2298256102	DAEYTUWHYTXBGC-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)C1CCCCCCC1	2298872778	CQSHWUQMKYCXDE-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cc(C)cc(C)c1	2300680535	FKGVWRFNRSQVBX-INIZCTEOSA-N	233.399	4.520	0	10	BJAE	
CCC1(CNc2cc(C3CC3)ccc2Cl)CC1	2300690216	GPNHTWFCIAPCAI-UHFFFAOYSA-N	249.785	4.820	0	10	BJAE	
CC(=CC[C@@H]1C[C@H](C)C[C@@H]1N)CCCC(C)C	2300905243	WYAVFXKIDHFUQO-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CCC(C)(C)C	2300910312	YIDILPIDACGBFU-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@@H](CC2CCCCCC2)C1	2301143296	SJVSXHOMCHBSIJ-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)[C@@H](C)[C@@H](C)C(C)C	2301826989	XODDTZURCKWTPE-DZKIICNBSA-N	241.463	4.560	0	10	BJAE	
CC(C)=C(C)CNc1cc(F)ccc1C(C)C	2301911298	WUQJCJYSVOGIMH-UHFFFAOYSA-N	235.346	4.717	0	10	BJAE	
C[C@@H](CC(=O)CCC1=CCCCC1)CC(F)F	2301923999	PPJNPIWEBFJDGV-NSHDSACASA-N	244.325	4.518	0	10	BJAE	
C[C@H]1CCO[C@H]1CCCCCC1=CCCCC1	2302350283	ZOUQEGPKJFAWDH-HOCLYGCPSA-N	236.399	4.862	0	10	BJAE	
CCCC(=O)CCCc1cccc(C(C)C)c1	2303760462	VFJHQCUUSAGOSF-UHFFFAOYSA-N	232.367	4.502	0	10	BJAE	
CCC[C@@H](CC)C[C@@](N)(CCC(C)C)C1CC1	2307825619	CSSXWETYVLRKCO-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(O)CCCCCC12CC2	2307834685	KSWAIWGWMPPOLZ-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CO)CCC(C)=C(C)C1	2307876013	JJYFRTAZTSXXIF-JKSUJKDBSA-N	238.415	4.702	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)C(C(C)C)C(C)C	2307899910	DLZCFYZPLVSMIP-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C[C@@]12CCC[C@@H]1C2	2310381682	HXISEHWCTSFKHY-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)C[C@@]12CCC[C@@H]1C2	2310387298	VXQXYPHOPPSQSB-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CC)C1=CCCCCC1	2310971204	ZEMIROFHKAFYHH-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C=C(C)[C@H]2CC[C@@H](N)CC2)CC1	2311767884	FIWDUVBRHDREPL-KGASUQACSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCC[C@@H]3CCCC[C@H]32)C1	2311972294	FXIZCWPXMPRDRE-ARFHVFGLSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](c1ccc(C)c(CC)c1)[C@H](C)CC	2314703266	VFYUXCRMUUIVMH-DYVFJYSZSA-N	247.426	4.644	0	10	BJAE	
CCC(CC)CCC(=O)c1cc2ccccc2o1	2316275758	PZTFXXPYQOBQJG-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1	2316501564	FTWZZTFJJXMLBW-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@H]1CCC=C(C)[C@@H]1N)CCCC(C)C	2316567617	JNYRFXVBTNRANX-SJORKVTESA-N	249.442	4.833	0	10	BJAE	
O=C(CC1CCCCCC1)[C@H]1CCCC2(CC2)C1	2316878650	AMAANHQKNHQDMN-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCCC[C@@H](CC)Nc1cc(C)c(OC)c(C)c1	2317381997	MTIBCFYFLYZLFI-CQSZACIVSA-N	249.398	4.693	0	10	BJAE	
CC1(C)C(CNCCCC2=CCCCC2)C1(C)C	2318574338	YZRCNNZXXOKRCN-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc([C@H](O)C[C@H]2CCC(C)(C)C2)cc1C	2319080319	NZZATZJKLANVCO-GDBMZVCRSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2C[C@H]3CC[C@H](C2)C3)C1	2319121174	KRIBWUDUYHLIKW-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCCC[C@@H]2C[C@@H]21	2319253802	XUJWNJNJJMLEJV-HLLBOEOZSA-N	243.394	4.630	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)(C)C1)[C@H]1C=CCCC1	2319310978	ACZXEJRYUFPWHK-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC2CC2)CCC(C)=C(C)C1	2320268854	UNFFMCMFOAAUFE-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)[C@H](C)CCC2CC2)CC1	2320395836	XLZCYMSIZOBODT-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
CC1(C)CN(C[C@@H]2CCC=CCCC2)C(C)(C)C1	2320572101	ZNLFXZZZXBOIJE-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCC=CCCC2)C1	2321639827	OSVPYVJYQXCPQL-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)C2CCCC2)c1F	2327810942	CDHFPCFRSYJYRC-LBPRGKRZSA-N	249.373	4.940	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1cccc2c1CCCC2	21507912	RIKODACBRPVBCI-CJNGLKHVSA-N	243.394	4.556	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)c1ccccc1C	21803277	DYFCETCSLVGEKE-HUUCEWRRSA-N	233.399	4.614	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccccc2Cl)[C@@H]1C	82857368	YHLDQSLDVDMCCC-WZRBSPASSA-N	237.774	4.577	0	10	BJAE	
C[C@H]1CCC[C@@H](NC(C)(C)CC(C)(C)C)CC1	86886042	PVWXCNXLCDSGIX-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CCN[C@@H](c1ccccc1C)C1CCCCCC1	87947671	HCWLEYKFHSOCPQ-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCCc1ccccc1NCC1CCC(C)CC1	89575870	VLDFXLZCBPEBLY-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CCC[C@H](C)CC[C@@H](NCC)c1ccccc1	109656068	FLXDFYZVSSMJBM-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
CCCCCC[C@H](NCC)c1ccc(C)cc1	112890136	KHYURNLUWFFUMM-INIZCTEOSA-N	233.399	4.616	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C(C)(C)CC	126145641	AQIMFXOMMHXXEE-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H](C)CCC(C)C	128650364	DXQDWOBBJHRRCQ-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
CCCCCC[C@]1(N)CC[C@@H](C)c2ccccc21	131383746	OYUCJFLUSMWLQH-PBHICJAKSA-N	245.410	4.708	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1cccc(CC(C)C)c1	131774504	CGNKHLGCPPFBBN-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
Cc1cc(Cl)c(N[C@@H](C)C2CC2)cc1Cl	132024943	CCYLXKPPXHSRET-QMMMGPOBSA-N	244.165	4.512	0	10	BJAE	
CC(C)c1cnc(C2CCC(C)(C)CC2)s1	132145981	WGPLLKXIVQKGQL-UHFFFAOYSA-N	237.412	4.950	0	10	BJAE	
CC(C)CCCCN[C@@H](c1ccccc1)C1CC1	134279776	XFEAQLOTLWNZBC-KRWDZBQOSA-N	245.410	4.554	0	10	BJAE	
CCCCOc1ccc(N[C@H](C)CCCC)cc1	142787811	SJFMQHBBYUWSFA-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H](CC)c1ccccc1	158461460	ROIVLDYHDQYUMN-IRXDYDNUSA-N	247.426	4.739	0	10	BJAE	
CCCCC(=O)[C@@H](c1ccccc1)[C@@H](C)CC	164719783	VLBFBPAZBXQCQK-XJKSGUPXSA-N	232.367	4.576	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1CCCCC1	168003368	KMBJFRSBXPCTGN-AWEZNQCLSA-N	224.388	4.742	0	10	BJAE	
Cc1ccc2nc(/C=C\c3ccccc3)ccc2c1	206134124	BRPDMIKQCQDAFG-NTMALXAHSA-N	245.325	4.714	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CCC1CCCCC1	223250710	ZCEDURRLZWSYPO-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1C[C@@H](C)CC(C)(C)C1	227699498	HSZPMQGPKFPHNL-LJISPDSOSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@]1(O)C(C)(C)[C@H]2CC[C@@]1(C)C2	227982371	IWJFOKYRPVRNEM-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](N)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2	229056085	MQUYRRPAAGYDBL-OLGJIQAVSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N)cc(-c2c(C)ccc3ccccc23)c1	232055899	BJDPOOFVBMWZGY-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CCC[C@H](C)n1ccc2cccc(Cl)c21	233343589	LGMAUXJVTZMXEI-JTQLQIEISA-N	221.731	4.656	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(Cl)cc1C	233348749	VFFOSDCZMWYULM-LBPRGKRZSA-N	225.763	4.639	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC[C@@H](CC)C1)[C@H](C)CC	250559477	VXOJEIYDJNWCIP-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCCCC1	250890541	XLTJNZZIAQDLAL-CWRNSKLLSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC[C@H]1CC	252955448	RFMFVBMIHDKHRI-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CC(C)SCc1cc2cccc(F)c2s1	257854183	CTSZROUVJIRMAH-UHFFFAOYSA-N	240.368	4.682	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)CC1CCCCC1	300854394	LLHUAKPVQNOUAG-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CCCC(C)(C)C)CC1	300856364	LPHSPPHPAIDXIP-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC1(C)CCC([C@@H](O)CCC2CCCC2)CC1	302263980	PMPLPKHWAVZQFH-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1CCCC(C)(C)C1	302554718	WJOQXYVHZQUQAX-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc2ccn([C@H]3CCC[C@@H](C)C3)c2c1	305668857	RIRXOPMFQSPLLE-DOMZBBRYSA-N	227.351	4.701	0	10	BJAE	
CSc1ccc(N[C@H]2/C=C/CCCCC2)cc1	306059154	YKGDFSGLRSIWLO-IYNGYCSASA-N	247.407	4.709	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1ccsc1Cl	308364103	KZIXOMJHEDJXAZ-KOLCDFICSA-N	246.803	4.507	0	10	BJAE	
CC(C)C(C(C)C)[C@H](N)C1=CCCCCCC1	310217189	FZTQPSKAUWNWCW-MRXNPFEDSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H](C)C1CCCCC1	310365042	VSBZVPYPOFJLHE-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)NC[C@@]1(C2CCCCC2)CC=CCC1	317406320	CRYRETUIHLFEBS-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CNCC(C)C)CCC(C)(C)CC1	318607019	QGALLHHMUBZHHJ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1cc2ccccc2s1	318831074	ZRJQIEBXQILTLZ-RWSFTLGLSA-N	248.391	4.617	0	10	BJAE	
CC(C)c1ccccc1C(=O)C(C)(C)C1CCC1	322185471	AWZUISYEQNGMPK-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCC[C@H](Nc1ccccc1SC)C1CCC1	322300354	AYOPVUGYHBNHME-ZDUSSCGKSA-N	249.423	4.789	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC/C=C/c1ccccc1	323570998	AIGYXULUEPYZEA-ZBZNSMLMSA-N	246.394	4.667	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H](CC)C2CC2)CC1	323894278	PJZWEWCTZVOLMQ-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)CCCC(C)(C)C)CC1	328340171	LXJQFLCOEOJWIX-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@](CC)(CO)CC1CCC(C)CC1	380225629	WTTSQPAANUPEEZ-GPANFISMSA-N	240.431	4.782	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1CCC[C@@H](C)C1	381105728	YUPHHNLZUAYMDU-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CN[C@@H](CCCCCCCC(C)C)C(C)C	383223572	SFLJIBXBABSIOP-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCNC[C@H](CCCCCC(C)C)C(C)(C)C	383281277	PCVQWUQNPAHRRJ-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCCCCNC1CCC(C)(C)CC1	383295711	RXCVVXIHOFQSIW-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCC1(C)CCCC1	383513348	HCJXDCLYPWPSJY-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(CC2(C)CCCC2)C1	383715210	XLFNSRATCADCGH-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)c1ccccc1C(C)C	388016479	OCWQJRMCRAMUMA-XJKSGUPXSA-N	244.378	4.675	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H]1C[C@@H]1CC(C)C	388220701	PIIWOMIYVWNNQM-GOEBONIOSA-N	244.378	4.504	0	10	BJAE	
CC[C@H](C)CCNCCCCCCC(C)C	394468114	ZIXCMFWLYYNPQL-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CC(C)CC[C@@H](C)NCCCC1CCCCC1	395180930	FDZIPWOJFPGYJL-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCCCC1=CCCCC1)C(C)C	395306342	DGCYMGSNKNSYNE-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CC(Nc2ccc(C(C)(C)C)cc2)C1	395311485	YJJIWNUSPQBOLC-UHFFFAOYSA-N	231.383	4.585	0	10	BJAE	
CCc1ccc2sc(S)c(C(F)F)c2c1	396246750	PYZWMIBPLSSCLK-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCCCC[C@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NCC	402236997	BINIWSLXYJAIBS-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@@H]1CC=CCC1	402302692	CXSCDNOPZOOKNP-BZUAXINKSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)CC1CCCC1	689768755	RCRPUCICLLGIPN-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](Nc1cccc(C2CC2)c1)C1CCC1	690099919	VQUVMHZBIIOBSK-KRWDZBQOSA-N	243.394	4.945	0	10	BJAE	
CCNCC1(CC2CC=CC2)CCC(CC)CC1	692147233	ZEISMYWMLGKAQK-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)c1csc(C)c1	695150942	YGIWEYCHQNDQEM-NEPJUHHUSA-N	239.428	4.532	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCC(C)(C)CC	696594812	RPOPLNJSESJACD-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CCC(C)(C)CC)C1	696734909	BXKDOLONEOCDBK-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(CC)[C@@H]1C[C@@H](C)c2ccccc2N1	701140554	WMSXIBDUBYLEBB-DOMZBBRYSA-N	231.383	4.801	0	10	BJAE	
CCN[C@H]([C@H](CC)CC(C)C)C(C)(CC)CC	701225924	LTDPRKHYHAMEON-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@](N)(C1CCCCCC1)[C@@H]1CC1(C)C	704473481	KGXHPALZMPCIFX-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC1CCC([C@](C)(N)CC2CCCCC2)CC1	704889082	LYHMUOBCAKJRBD-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@](N)(CC)C(C)(C)C	704930084	BIPCKJORQCYXMS-UKRRQHHQSA-N	227.436	4.747	0	10	BJAE	
CCCCCC[C@]1(N)CCCC[C@H]1C(C)C	704947713	JMOYFFWWKAFFOG-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@H](C)CC(C)(C)C	708311581	FRNXYDGKTPUJMU-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CNc1ccc(Cl)c(CC2CCCCC2)c1	709862306	NTKLPABVNAAGRY-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)C[C@H](C)C(C)(C)C	711182530	JRCVZXHQIWESNT-ZVHGMHCTSA-N	239.447	4.783	0	10	BJAE	
CCCNC[C@@H]1CCC[C@@H]1CCC(C)(C)CC	711291580	CMTWXRQMAFQWCG-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](N[C@@H](C1CCCC1)C1CCC1)C1CC1	711833502	RUIYZEMSCDNRDY-SJORKVTESA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)COc1cc(C)c(N)cc1C(C)C	713152164	AZENCYRLSWUFKS-UHFFFAOYSA-N	249.398	4.516	0	10	BJAE	
CC(C)C(C)(C)COc1cccc2sccc12	713259216	YYWPNLUZZPDZNL-UHFFFAOYSA-N	248.391	4.962	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@@H]1CCC[C@@H](C)C1	713745621	LHPPPPOMJRZJSR-ZHOIPMOUSA-N	249.442	4.703	0	10	BJAE	
CC(C)c1cccc(NCC[C@H]2C[C@@H]2C2CC2)c1	714865221	MJTQEROSXMUKDT-DOTOQJQBSA-N	243.394	4.658	0	10	BJAE	
CC1(C)CCC([C@H]2CCNC23CCCCC3)CC1	721087723	NMPOFZPIGJETPV-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CCCC3(CC3)C2)c1	723603037	KJFSWUFMCSLTAG-LBPRGKRZSA-N	249.785	4.783	0	10	BJAE	
CCCCCN1CCCC2(CCCCC2)CC1	1307685627	GKYZPFXCILJPAW-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
Cc1ccc(N(C)CC[C@H]2CCC[C@H](C)C2)cc1	1473140926	XMIUVOXDBSNWFK-JKSUJKDBSA-N	245.410	4.648	0	10	BJAE	
C=C/C=C/CCN1CCCC2(CCCCCC2)C1	1615727662	BYFOLRTWVAWDPZ-ONEGZZNKSA-N	247.426	4.555	0	10	BJAE	
C(=C/c1ccccc1)\CCSc1ccccc1	1651623928	BAKLAAXNSPBMAZ-YRNVUSSQSA-N	240.371	4.882	0	10	BJAE	
CC(C)c1ccccc1CN(C)C[C@H](C)C(C)C	1875905365	JHILBUJARWUFMZ-HNNXBMFYSA-N	247.426	4.534	0	10	BJAE	
CCC(C)=CCc1ccc(Cl)c(Cl)c1	1888065667	IGMFTXQFHBLEGD-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CCC[C@H]1C	1894584741	UQLHGKFDZXDDFU-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CC[C@H](NC)c1ccsc1C	1900696876	MHGWKBVEVGZGNH-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1sccc1CC	1905433595	VOFCYRZSURYECO-LLVKDONJSA-N	238.396	4.710	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C(C)(C)C1CCCC1	1908544831	KIHJFERLLHNYOQ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CNC2CC2)C=CCC1	1916373390	VKBCCSYMEAZGHA-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(N)C[C@H]3CCC[C@@H](C3)C2)C1	1923474934	FIPDFEOKISDJME-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@@H]1CCC[C@H]1C[C@@H]1C=CCCCC1	1925893055	RCGHDLIDNQKIPC-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@H]1C=CCCC1	1926194224	SLKHQWDFBJGXHM-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cc(C)c(Cl)s1	1926372351	PXEJBVKWXJJIFB-SNVBAGLBSA-N	245.819	4.536	0	10	BJAE	
CCC(CC)C[C@@H](N)c1c(C)c(C)cc(C)c1C	1926375884	IRCZAHOWAITJGJ-MRXNPFEDSA-N	247.426	4.746	0	10	BJAE	
CC1(C)CCC2(CC1)CC(=C(F)F)C2	1934997792	SNIGPYOKLGOHOT-UHFFFAOYSA-N	200.272	4.517	0	10	BJAE	
Cc1cc(Cl)cc(C[C@H]2C=CCCC2)c1	1935044928	UYKYRNZMILJGFC-LBPRGKRZSA-N	220.743	4.547	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)c1cc(C)cs1	1939447349	TYAUVYOILQIXSF-OCCSQVGLSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1cc(C)cs1	1939455095	AUAQAXYNLCHDCI-GFCCVEGCSA-N	238.396	4.702	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC1(C)C)CC(C)(C)C	1940871264	AZAZRUCWXDTDPG-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)NCCC[C@@H]1CC1(C)C	1940874812	GGERAZRXQLAKQI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)C(C)(C)C1CC1	1941135689	JVVXQFXDCKIDCC-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(=O)c1ccccc1C1(C)CC1	1941538985	PCSLHULGCNHIKZ-UHFFFAOYSA-N	230.351	4.501	0	10	BJAE	
CC(C)C1([C@@H](O)CCCCCC2CC2)CCC1	1941572550	BTPUQMHTIISMOP-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@H](O)CCCCCC1CC1)C(C)(C)C	1941573869	UHBHQPBUJHCFDW-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C(=O)c1ccccc1CC(C)C	1941845104	ISKPDSQPFRTRLT-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C[C@@H]1CC1(C)C)NC	1944749236	HBTGEQHJIIRKOU-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@@H]1CCC[C@@H]1C	1944849454	MKEZFVIPFVHRMZ-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(C)(C)NCC(C)(C)C1CCCCC1	1946160378	LQYDNKFBHFUPOJ-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(CN[C@H](C)CCC(C)(C)C)C1	1948406352	ZFLGBNBTGREREJ-VQCLRJIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(N)CC1(C)CCC1	1948974200	JKGSYUCQCJWZLC-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@H]1CCCC(F)(F)CC1	1950011735	LJAOSJMOBNWEJY-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@H]1CC[C@H]1Nc1ccsc1Cl	1959203854	HUVYOOGZMZRNIM-NXEZZACHSA-N	243.803	4.638	0	10	BJAE	
CC1(C)CC[C@@H](CNc2ccc(Cl)cc2)C1	1968265249	HOMQIFYXZSECDB-LLVKDONJSA-N	237.774	4.578	0	10	BJAE	
Cc1ccc(C)c(OCC[C@@H]2CCC[C@@H](C)C2)c1	1968307347	INUDUHJUETZMCF-CJNGLKHVSA-N	246.394	4.899	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)C23CCC(CC2)C3)C1	1973847144	GMQNAEGCEBJMSU-HGHNZHKBSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC)C1(C)CCCCCC1	1978585425	CZOPJFKRKHCXTH-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@H]1CCCCCCC[C@@H]1NC	1980350012	CJJMXCPXSKNDEN-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CCC(C)(C)CCC1(O)CC(CC)(CC)C1	1984402761	CAYKELWENZVFPL-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)CC1(O)CC(CCC)C1	1984693276	BHERZBTZCHMTJM-NFOMZHRRSA-N	226.404	4.534	0	10	BJAE	
CCCC1(C[C@](O)(CC)C(C)(C)C)CCC1	1988463746	HOPGCVCDZJELFN-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)NCC(CCC)CCC	1990049474	PDRZTSWIHHJHGP-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCCCCCN1CCCCCCCCC1	1990801535	KUXQIPLVUSZHAP-UHFFFAOYSA-N	225.420	4.613	0	10	BJAE	
CCCCC(=O)CC[C@@H]1CCCC(C)(C)C1	1994027141	XOHPQNNNIVSDQE-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCC(C)(C)C	1995261597	GFWYFCXKPUHWGU-ZIAGYGMSSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@H]1CC[C@@H](C)C1	1996260816	RDJUNBLUYKEKEZ-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)C[C@@H]1CCC=CCCC1	1999993193	KKUOTYOWLANNSQ-HUUCEWRRSA-N	237.431	4.523	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@H]1CCCC(C)(C)C1	2000040749	GSSHXWGXNVJARC-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
Clc1cccc2ccn([C@@H]3CC[C@H]4C[C@H]4C3)c12	2001461146	ABINVOCFDWNXRX-RWMBFGLXSA-N	245.753	4.656	0	10	BJAE	
N[C@H](CC1=CCCCCC1)c1ccccc1Cl	2003683152	LJPPYBDQBQDJTN-OAHLLOKOSA-N	249.785	4.620	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(CO)CCCCC1(C)C	2005583844	RHCOMCBSSMXYNG-GOEBONIOSA-N	240.431	4.638	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H](C)CCC(C)(C)C)CCC1	2006916478	SLQSVZLTVXZZDY-DZGCQCFKSA-N	237.431	4.680	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)C1(C)CCC(C)(C)CC1	2007699660	YIWNEIMDANXMBU-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1CC(C2CC2)C1	2007758563	HYADGFDVGVSYMH-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
C/C=C/C[C@](CC)(CCCC)CNCC(C)C	2008064087	ZYTXQUMZEBOLLO-YXMGTMDOSA-N	239.447	4.785	0	10	BJAE	
CC(C)CCCCC[C@H](N)C[C@]12CCC[C@@H]1C2	2011019884	ODXXKOYMVZJGAK-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(N[C@H](CC)CCC(C)C)CC1	2013265536	XHAHZMKJMDHINW-HWOWSKLDSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H](C)C2CCCCC2)N1	2013520961	AASPWMMEKHSUJJ-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)c1ccc(NC2CC3(CC3)C2)cc1	2014301131	ZRPFBYUIDOUANP-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CCCC[C@H](CC)NC1CC(CC(C)(C)C)C1	2014650693	PWECYONQBBAIMY-SLTAFYQDSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C)[C@H]1CCC1(C)C	2014940503	WVYGSNOLYHOAGR-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C[C@](C)(O)CCC(C)(C)C)C(C)C	2015284674	PPMIDDIPCYDBMQ-MRXNPFEDSA-N	242.447	4.882	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)CC(C(C)C)C(C)C	2015379171	XVXCSQYULVSXJP-DZGCQCFKSA-N	238.415	4.556	0	10	BJAE	
CC(C)C(CC1(N)CCCCCCC1)C(C)C	2015395391	YYVZSWWTTCIDAB-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC1(CCC)CCC1	2015634994	UXAZVORBGWVYDE-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H](CCC)C(C)C	2017476261	VZHCKFSPXSOSSS-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCC1CCC(C[C@H](C)[C@H](C)NC(C)C)CC1	2017723244	SROOJHOSDSJQME-FXQLRMTLSA-N	239.447	4.616	0	10	BJAE	
CCCC1CCC(C[C@H](C(C)C)[C@H](C)N)CC1	2017730308	GLKKBOJJYCVERT-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCC2(CCC2)C1	2018136170	IGEVFRIYUXVZTM-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@H](CC)C(C)C)CC1	2018994531	BWMUUYBRSXSUKR-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2C=CCCCC2)C1	2024125135	QIXWOICIWCMNMP-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CC=C(C)C)NCC	2026057991	BJHCPTQFRLPTSA-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NCCC)C1CCC1	2026075353	VHEUNYSNXBNQRQ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@H]1CCCC[C@@H]1C	2026167322	QJQSCWAPPFZVBN-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C[C@@H](C)C1CC1)NC	2026168849	DFMBAFKIMGIVJD-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@@H](C)CCC(C)C)c(C)c1	2029839186	XTMKPSNGJBHXFO-SUMWQHHRSA-N	248.410	4.718	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNC2(C)CCCCCC2)C1	2033411047	ZSKCAOFYXWNFSR-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1c(C)cccc1CC	2035425898	TZLPVNXTCNSEEY-HZPDHXFCSA-N	245.410	4.938	0	10	BJAE	
CCN[C@H](CC1CCCCC1)c1c(C)coc1C	2035533206	JRDZGSCKZUUDFL-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CCc1occ(C)c1C(=O)[C@@H]1CCC[C@@H](CC)C1	2035538060	LJCHUGZMXWESDK-CHWSQXEVSA-N	248.366	4.550	0	10	BJAE	
Cc1cc(C)c2c(c1)N[C@](C)([C@H](C)CC(C)C)O2	2036375656	QSXAKJVTADPDGG-CJNGLKHVSA-N	247.382	4.506	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(CCC2=CCCCC2)C1	2037171041	BBQYNJWUCNESLF-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)CC1CCC=CCC1	2037207099	MUXLUOTXSHTBFZ-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(F)cc1NC[C@@H]1CC12CCCCC2	2039050308	HFOZDVMQDLMCQD-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CCNCC1(C[C@H]2CC[C@H](C)C2)CCC=CCC1	2040172637	NNLPCLQCKKOIRQ-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](N[C@@H](C)c2ccoc2)CC1	2041502493	KAGSTRUQEIDEOR-DZKIICNBSA-N	249.398	4.535	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)c2ccccc2C2CC2)C1	2042278910	OKUBPEDGLXMAQG-QWHCGFSZSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCC3(CCC3)C2)CC1	2043610541	YMYZTAIVUPISQT-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCCC1([C@H](NC)c2cc(C)cc(C)c2)CCC1	2045729606	GOFOUUHIRIIJSH-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
O=C1CCCCCCCC[C@H]1C[C@H]1C[C@H]2C[C@H]2C1	2045846432	VEIMCFWHMXHXCU-YHUYYLMFSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C[C@@H]1CC=CCC1	2046001311	ZNDBISDEZSZRBW-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
O=C1CCCCCCC[C@H]1CC(C1CC1)C1CC1	2049646707	FQTRDRLPRQJCOX-HNNXBMFYSA-N	248.410	4.742	0	10	BJAE	
CNCC1(C[C@@H]2CCCC3(CC3)C2)CCCCC1	2049845295	IRPGNPHPPGCASL-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)C[C@H]2CCCC3(CC3)C2)C1	2049862648	WMEUJVGDDQKEHQ-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C1CC2(C1)CC(C)(C)C2	2051408964	ZUQARZYEXNEGRK-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)CC2C[C@H]3C[C@@H]3C2)CCCCCCC1	2052475848	PGIWUXGVWJSBBX-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CC[C@@]1(CNC(C)C)CCCCC12CC2	2053359027	RNMXOYUSEDSBRM-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@H](C)c2ccccc2)C1	2055123242	HZDRJFMYSFNHLU-SOUVJXGZSA-N	244.378	4.576	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@@H]1CC12CCCC2	2056450700	MLFJMMSLOBGSGH-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)c1occc1C	2056876421	QETYFYJGZDASIL-OAHLLOKOSA-N	247.382	4.519	0	10	BJAE	
CC1CCC(CC(=O)C[C@@H]2CCC[C@@H]3C[C@H]23)CC1	2057357559	LSROMUVOFCWPRY-GHSKHGPUSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2059202845	DGZDCBAEUMHBJJ-UZZNXUKWSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CC=C(C[C@@H](N)c2ccc(C)cc2)CC1	2061144951	VFBIHBABUGIIEU-RHSMWYFYSA-N	243.394	4.521	0	10	BJAE	
Cc1ccccc1C(=O)CCC[C@]12CCC[C@@H]1C2	2061595986	JPEDUGKEONMOPU-PBHICJAKSA-N	242.362	4.538	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)C2CC3(CC3)C2)c1	2064498446	SNFAHGVMFXFYHP-ZDUSSCGKSA-N	243.394	4.801	0	10	BJAE	
Cc1cc2ccccc2n1CC12CCC(CC1)C2	2065276330	CJTOZKCJJPTAFY-UHFFFAOYSA-N	239.362	4.530	0	10	BJAE	
CC(C)(C)C1CC(Nc2ccc(C3CC3)cc2)C1	2067986546	KQFWXBLQUHPLRI-UHFFFAOYSA-N	243.394	4.801	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068698348	JIKVILYLJZBQMM-UGQVUOCMSA-N	248.410	4.598	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068712952	JDDDSCQSJLMQEE-PHZGNYQRSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068778168	HZBAQINBFVGOJP-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1C[C@@H]2CC[C@H]2C1	2068814235	RKZRHCYROOSCTP-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC[C@H](C)C(C)C)c1ccccc1C	2069017266	TZCLEEFZUYSUMY-YOEHRIQHSA-N	247.426	4.718	0	10	BJAE	
CN[C@@H](C1=CCC(C)(C)CC1)C1(CC(C)C)CC1	2069520312	WRXXOXYNPCLKAL-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CC[C@@H](N)C1(CC2CC2)CCC1)C1CC1	2069521194	IHGRZQBSBVNYGV-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@H]2C[C@H]1C2(C)C	2070398409	MBFVDESEPUMPQS-CAOSSQGBSA-N	249.442	4.536	0	10	BJAE	
Cc1cccc([C@@H](O)CCC2(C(C)C)CCC2)c1	2071903194	DWIIKPFEELNKRN-INIZCTEOSA-N	246.394	4.635	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1C)C1=CCCCCCC1	2072092160	RWPBNRSXLCCFQM-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1C)C1=CC[C@H](CC)CC1	2072096480	UDDVTGKXSQFTPL-XJNFMUPTSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CC2(CN)CC3(CCCC3)C2)CC1	2072798730	MDVDYPSFIZDQBC-SHTZXODSSA-N	249.442	4.502	0	10	BJAE	
C[C@H](N[C@]1(C)CCC(C)(C)C1)[C@]12CCCC[C@@H]1C2	2073067574	IJNHBXNQRJFPNX-XOSAIJSUSA-N	249.442	4.514	0	10	BJAE	
CCCC1(CN2CCC3(CCCCCC3)C2)CC1	2074589798	PSKGBTUIGBGDLF-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@@H]1CCCC12CC2	2074634286	OQAZWTYQDJNJTL-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](c1ccccc1)N(C)[C@H](C)C1(C)CCCC1	2074779598	FRLUELFLKOCNQW-HUUCEWRRSA-N	245.410	4.648	0	10	BJAE	
CCCCCc1ccc([C@@H](N)C2(CC)CCC2)o1	2077981346	MFFJNLTZQTVSTE-OAHLLOKOSA-N	249.398	4.592	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H]2CCC3(CC3)C2)CC1	2078334768	NOJYEPHPHBGUAJ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC(C)C)([C@H]2C=CCC2)C1	2081682443	WGCFOSCYCCVIQR-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC(=O)c1ccc(C)c2ccccc12	2081783461	WSBQKWPOTNKRDV-UHFFFAOYSA-N	238.330	4.687	0	10	BJAE	
CN[C@H](C[C@H]1CCCC(C)(C)C1)[C@H]1CC=CCC1	2082979260	MOHPZHIRINWKPZ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)C2CC3(CCC3)C2)C1	2082980614	WRKKJQROZBWPKN-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c2[nH]c(C3CC4(CCC4)C3)cc12	2083313472	CFJLNPQMNNEDIJ-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]2CCC[C@H]1C2)C1(C)CCCCC1	2086159515	XHRGHRGPNAZGLG-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CCCCCCCCC1CC1)NC	2212441816	DZGRFPATQSATLM-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)CCCCCCC1CC1	2213578173	JHYQOUKICOWGQZ-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)CCN[C@H]1CCC[C@@H](C(C)(C)C)C1	2216252311	JJDYBMGDIVBIIU-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCC[C@@H](C(C)(C)C)C1	2216254918	AQVNNSGUUZGUPV-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCCCC(F)F)C1	2216521674	JUNQHGYHLHFNHF-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCCC(=O)CC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216737619	LKQZNBJYMIFXEQ-SOUVJXGZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@](C)(O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216743940	GNSNOTFIZVLUBG-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCC(=O)[C@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218327783	MZBDQQHIMQCOBT-YXWQFLTLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218375462	VEHNMWMHFFJRFL-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C(=O)CC[C@@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218377685	JCAXDMUOWSOZPF-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1CCC12CCCC2	2218730571	FUADFLQLDYFGEF-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@@H](CC=Cc1ccccc1)[C@@H](C)CC	2219071009	MAAUBQRUVGKFOJ-RDJZCZTQSA-N	245.410	4.504	0	10	BJAE	
C[C@@H]1CC[C@@H]1CN[C@@H]1CCCC2(CCCCC2)C1	2220609299	VJRUZQYHWRYMFQ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(-c2ccc(C(C)C)cc2)c(C=O)c1	2220787193	MRSBLUIZHYSUSJ-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC1(CNC2CC2)CCCCCC1	2220882896	YJLJSIQZRZEEMC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1(C)CC2(CCC2)C1)C1(C)CCCC1	2221022029	CEJJHCCLKIQSBF-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CC(C)C1)[C@]1(C)CC=C(C)CC1	2221632808	RNXIIBNJBFJDEN-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CC=C(C)CC1	2221655672	VJFMQWFXGNJBNJ-SJORKVTESA-N	249.442	4.824	0	10	BJAE	
CCCNC[C@]1(C2CC(C)(C)C2)CC=C(C)CC1	2221669611	YRZQPHRSWNPSRF-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCCCc1nccn1[C@@H]1CCC12CCCCC2	2221799651	AVWYZDLCJOZSSC-CQSZACIVSA-N	246.398	4.511	0	10	BJAE	
N[C@@H]1CCC[C@H](C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2222933907	POABGWREDHOIDG-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(=CCCCCCCC2CC2)[C@@H](C)CN1	2223121418	IYMPLQFPCCTTAX-GJZGRUSLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1csc(C(F)F)c1	2244783559	QXKYAEZEGYMKJK-KCJUWKMLSA-N	248.338	4.545	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(C)cc1C	2244800489	MJKGETWQQJPERH-AWEZNQCLSA-N	219.372	4.542	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1(N)CCCC1	2244837924	RLKXGZRFINBQLD-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCCNC(C)C	2244846129	YOMKQFGMZQLKLE-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@@H]2CCCCC[C@H]2O)C1	2246710225	SJXNFFKIZRMCEG-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](O)C2CCCCC2)C1	2246731720	YJYDTRGICCBRGP-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCCC[C@H]2C[C@H]2C)C1	2247162840	IITLJQXFNHRUQM-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@@H]1CCC1(C)C)NCC	2247385515	GCBUSKIKRSWSRK-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@@H]1CCC1(C)C)CC(C)(C)C	2247444508	BFLFSJUJERAOEA-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](O)(CC[C@H]1CCCC12CC2)C(C)(C)C	2247617222	QZPNKLNFNWEQQG-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCCCCC[C@@H]1C[C@H]1C)NC	2248809434	RTSGVTYRPJMUKI-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)Nc1cccc(C(C)(C)C)c1	2249257700	HRWLIXDIMQAGNA-ZDUSSCGKSA-N	233.399	4.975	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCNC1(C)C	2250478241	GQBAPGIEKPPAPP-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC1(CNc2cccc(C3CCCC3)c2)CC1	2251218766	DHWWPNZWWTTZDX-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCCCCC[C@@H]1[C@H](N)C(C)(C)CCC1(C)C	2251714733	YVUCJCBAPCOLDV-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCC1(C)CC(NCC[C@H]2CCCCC23CC3)C1	2253891774	RJUSYGVZAYFTIA-QQFBHYJXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@]2(C)C=CCCC2)C1	2253931980	AKHHNVRRFJDDQS-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](CC2CC3(CCCC3)C2)C1=O	2254077196	AAMPOGKMLTYIDK-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1(CN)CCC2(CC1)CC2	2254587525	QSVUHBPJAMWXHF-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
CCNC[C@@]1(CC2=CCCCC2)CCCC1(C)C	2255088269	ABCCNGBFVPCVSU-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)CC2=CCCCC2)[C@@H](N)C1	2255135888	DQSJPSOTZPLMGI-BMFZPTHFSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)CC[C@@H]1CCCC12CC2	2255278443	NQDSTBUBLVWXGC-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(CN(C)[C@@H](C)[C@@H](C)CC)cc1	2256318065	PJGSGKDYCTWORE-GJZGRUSLSA-N	247.426	4.506	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CCC=CCCC1	2257249870	WELWCJYFYOCUMC-IXDOHACOSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C)cc(NCCCCC[C@H]2C[C@H]2C)c1	2257299917	PCZHFNCDMLLLAY-CVEARBPZSA-N	245.410	4.932	0	10	BJAE	
Cc1cc(C(=O)CCCCC[C@@H]2C[C@H]2C)oc1C	2257302801	XFTPYCMMPHJXPD-TZMCWYRMSA-N	248.366	4.686	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@]12CCCC[C@H]1CC2	2260525562	WDUZOUYFWCGDJU-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(F)c(NC[C@]23CCCC[C@@H]2CC3)c1	2260584221	UHJROYFDDCNJIA-CZUORRHYSA-N	247.357	4.516	0	10	BJAE	
Cc1ccc(F)c(NC[C@]23CCCC[C@H]2CC3)c1	2260584222	UHJROYFDDCNJIA-XJKSGUPXSA-N	247.357	4.516	0	10	BJAE	
C=CC=CCCN(C)CC1CC(CC(C)(C)C)C1	2261225330	UYPIAXKHZIOFQU-UHFFFAOYSA-N	249.442	4.513	0	10	BJAE	
Fc1ccccc1C=Cc1ccc2ccccc2n1	2296660106	GJLRIWPBWOADFG-UHFFFAOYSA-N	249.288	4.544	0	10	BJAE	
CCCC1(CC(=O)[C@](C)(CC)C(F)F)CCC1	2299827343	BNZDWSGZZAEOJZ-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)CC[C@H](O)c1c(C)cccc1C	2300689058	UGLJYHRLBKFYNC-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
CC(=CCN[C@@H]1CCC[C@@H]1C)CCCC(C)C	2300865098	JFUCMWBSSMXUJW-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(N)([C@@H](C)[C@@H](C)C(C)C)CC1	2301836390	MEUYVYIVKKXOCC-FXQLRMTLSA-N	239.447	4.602	0	10	BJAE	
CC1(c2nc(CCC3CC3)cs2)CCCCC1	2302268924	UXNLDBRQZWQBSW-UHFFFAOYSA-N	249.423	4.708	0	10	BJAE	
CCCCC[C@](C)(N)CC[C@@H]1CC[C@H]1C1CC1	2303156816	FKKAHQWAZIECBR-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)Cn1ccc2c(C)cccc21	2307806846	SGPCPFAQEGZAQF-AWEZNQCLSA-N	229.367	4.776	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCCC[C@H]1NCC	2307893826	JTUKVAGBCWXGOI-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@@H]1C[C@H]1C(C)C	2311518922	YDKOJHLOJSULQQ-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	2311615527	RLOAVUSYJUSIET-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](O)C(C)(C)c1ccccc1	2316247607	GOUMXBHILNOHMU-MRXNPFEDSA-N	248.410	4.542	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@@H]1CC12CCCCC2	2316881002	MJASVITXTGMJPB-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316882487	ZMTSXOYSIZUZHK-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](NCCCC2=CCCCC2)C1	2318530951	GLLOMCJYJQHZRO-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)C[C@H]2CCCC[C@H]21	2318557827	OSWIQTLFHKXSPC-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)C1CCCCC1	2318577485	XHTVJVNQCWUDDF-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C(CCCCC12CC(CCN1)C2)CCCC1CC1	2318785268	ILMRWFLQGWDIPW-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2[C@H]3CCCCC[C@H]32)C1	2319132447	ZMJCBSJDOQZAOT-NYTXWWLZSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H]2CCC(C)(C)C2)CC1	2319132846	DPXRKIXRSNNRLK-RHSMWYFYSA-N	248.410	4.908	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2320151208	GFXQPVTXRKIWGW-OEUWWYETSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(OC[C@@H]2CC[C@H]2C(C)(C)C)c(C)c1	2320254512	RBWRLBKJULIIAN-LSDHHAIUSA-N	246.394	4.755	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC(=O)C12CCC(CC1)C2	2320257751	IRTYBXLLWWLLHY-DLOXAQCQSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2C[C@@H](C)CC[C@@H]2C)CC1	2320268792	TWVXTESYFBPNBE-GUDXXQAFSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H](C2CC2)C(C)(C)C)CC1	2320414238	REFYVMOVZHPRCY-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)CC2C[C@@H]3C[C@H]3C2)C1	2321621295	DVDLNALYLSIGRU-NWANDNLSSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCC23CCCC3)C1	2321643077	UKZNGMQTXUIBTL-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCC2(C)C)c1F	2327811660	NSNROALLNMMVCT-CQSZACIVSA-N	249.373	4.940	0	10	BJAE	
CCC[C@H](CC)CN1CCC[C@@H]1c1ccccc1	2328082308	AVSOKWMPHDQTCI-DOTOQJQBSA-N	245.410	4.650	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1c(C)cc(C)cc1C	2328214042	UHDUAWJJWAIPPV-JKSUJKDBSA-N	248.410	4.862	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)c1ccc(C)cc1C	2328283745	ZXPJSIIJWCCLMZ-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CC=CCC2)c1	20547515	AHBIWOAWPJYXQE-CQSZACIVSA-N	229.367	4.578	0	10	BJAE	
C[C@H](NC1CCCCCCC1)c1ccccc1F	21016705	BKASTFSFGFQNQL-ZDUSSCGKSA-N	249.373	4.589	0	10	BJAE	
CC(C)[C@H](C)Nc1ccccc1-c1ccccc1	21511966	RWDZNOALDCQTBX-AWEZNQCLSA-N	239.362	4.810	0	10	BJAE	
C1=CC[C@H](CNc2cccc3ccccc23)CC1	21518070	MUCQWXZSVXTSDS-AWEZNQCLSA-N	237.346	4.608	0	10	BJAE	
CC[C@H](C)[C@H](C)NCCCCCCC(C)C	21518981	NJELGOOXBYDMND-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCOCc1ccc(-c2ccccc2Cl)cc1	33883699	BYEMSPWDLGUNKB-UHFFFAOYSA-N	246.737	4.544	0	10	BJAE	
CC(C)[C@H](Nc1ccc(F)cc1)c1ccccc1	37210681	WZGOKGSYFPNPPK-INIZCTEOSA-N	243.325	4.635	0	10	BJAE	
Fc1ccc(Sc2cccc(Cl)c2)cc1	38998497	HOHQDTXTYNQYNE-UHFFFAOYSA-N	238.714	4.630	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)[C@@H](C)NCCC	71083986	CMHFCGOJEOKHMS-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccccc1CCc1ccccc1	78921816	WOPCYTAIGVBCKZ-UHFFFAOYSA-N	224.347	4.595	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(O)CCC(C)(C)CC1	79657231	MIGZQQMFHBXVMJ-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCCCCC1(CNCC)CCCCC1	82441787	BGPVEDCMFNWUJN-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)C(CC)CC	82631013	UXBKQLLEEWMFJO-KBPBESRZSA-N	227.436	4.760	0	10	BJAE	
CCCN[C@H](CCC1CCC(C)CC1)C(C)C	85082966	PHQGUKLVKGLCNY-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CC2CCCC2)CC1	87187496	UFVVUBKVZBBGFV-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)C[C@@H](CNC(C)C)c1ccccc1	88098497	QLHRFABNFZERST-RDJZCZTQSA-N	247.426	4.595	0	10	BJAE	
Cc1ccc(NCCC2CCCCC2)cc1C	107792964	RSXCLEUUEZUWJP-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CNCC)CC(C)C	110182933	MGSATJHUHWCSDQ-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)NCC2(C)CCCC2)c1	111620254	RSVIIUIUHSTMQS-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2CC1CCCCCC1	148968307	SHJLQTMYXAEOQR-OAHLLOKOSA-N	243.394	4.946	0	10	BJAE	
CC(C)(C)NCCC(C)(C)C1CCCCCC1	150068501	KZLNGFRUHXHLEF-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1ccccc1C(C)(C)C	162502153	LONPHWIWCKJVKX-CJNGLKHVSA-N	247.426	4.681	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1C)C(CC)CC	163537526	XSKQAUKJZKOGNC-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCCC[C@@H](CC)CC(O)(CCC)CCC	163758348	FLIIPTSFHUCOKT-CQSZACIVSA-N	228.420	4.924	0	10	BJAE	
CCCN[C@@H](CC1CCCCCC1)C(C)(C)C	164665817	RQRNUVNQZWRYIM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C(C)(C)C)C1(CC(C)C)CCCC1	164666379	MQECCORKOOTTRM-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(=O)Cc1ccc(C(C)C)cc1	165000228	DSTJQUAALJNVQO-UHFFFAOYSA-N	232.367	4.502	0	10	BJAE	
CC(C)CCC[C@@]1(O)CC[C@H](C)c2ccccc21	165657946	ZTFZPNBWVASPDD-WMLDXEAASA-N	246.394	4.598	0	10	BJAE	
Cc1ccc2ccn(CCCc3ccccc3)c2c1	166367023	WTQMNWHASDZZCB-UHFFFAOYSA-N	249.357	4.583	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)(C)C)C1CCCCC1	167196162	ITTBXPOLVKXKNY-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NC(C)C)[C@H]1CCC[C@@H](CC)C1	222194187	HDFMWFXNSGBJIB-PMPSAXMXSA-N	239.447	4.760	0	10	BJAE	
C1CCC(CCCN[C@H]2CCC[C@H](C3CC3)C2)C1	225037437	FKMQLGJVXAQWDE-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@@H](C)CC1	226497532	TUIWHPADPSXDLB-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(N)cc1-c1cccc(C2CCC2)c1	229614634	PIQACIFBJUTILO-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)c1c(C)cccc1C	233920043	YYYNBXWHXCGTSP-HLLBOEOZSA-N	245.410	4.520	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2ccc(C)c(C)c2)C1	235398256	DPPCZMVTNZSPRU-LRDDRELGSA-N	243.394	4.708	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H]1CCC[C@H](CC)C1	300145210	ZKBWGDALQHXAPV-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(Cl)ccc1[C@@H](O)CCCC(C)C	300348400	LMOHFWHAKMGTDR-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
CCCN[C@H](CC)CCC[C@H](C)CC(C)C	300894473	KFRPDOSEHMZKMN-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@H](C)CC(C)C	302550743	JXTFYTZIZLGQTI-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)c1ccc(C(C)(C)C)cc1	302603734	WTNGERYTCPSSEG-BBRMVZONSA-N	247.426	4.666	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cc2cc(C)ccc2o1	305986415	IPISVQWVLDMKRP-WBMJQRKESA-N	245.366	4.567	0	10	BJAE	
CCc1ccc(Cl)c2c(SC)csc12	307176203	XTENNNMDPBTSPS-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Cc1cc(Cl)c2c(Cl)csc2c1	307527276	KJQDLOIBYYKTDH-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@H](C)c1ccccc1	308057174	QZNHRKHZCLDORS-HUUCEWRRSA-N	246.394	4.822	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)CCC2CCCC2)C1	310271586	SYCFUXRFINHAOB-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC1CCCC1)CC1(C)CCCC1	310447638	XJWUVFJAZOEGOE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](c1ccccc1C(C)C)[C@@H](C)CC	310795376	CFBGFUQEJNLKKC-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
CCC[C@@H]1CNCC[C@]12CCCC21CCCCC1	312981095	BIGHXRDAUXWTNJ-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](C)C1(CNC(C)(C)C)CCC(C)CC1	318048646	FGJFWBOVPMSCFT-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC[C@H](C)[C@@H](C)CC)c1ccccc1	319870425	HTMFTMDGWLUGHM-YQQAZPJKSA-N	247.426	4.800	0	10	BJAE	
CCC[C@](O)(C[C@H]1CCC[C@@H](C)C1)C1CCC1	322864304	UVCUWOJSJOYCRU-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCC(O)(CCC)CC/C=C\c1ccccc1	324005042	JXMUEKGFVHYGGN-WQLSENKSSA-N	246.394	4.811	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CC1=CCCCC1	381178135	PDVDLYIZBDTKGV-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CCC[C@@H](C)NCC[C@@H](C)CCC=C(C)C	381548922	LSMWDRXMHYIGNZ-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1)[C@@H](C)CC(C)C	385355476	WYDARGJRFJGTEI-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC[C@@H]1C)C1CCCC1	387552153	UOTKKRVZHNGPPB-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C)CCC1(C)CCCCCC1	394747567	JTCWJICJUXIBIW-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](Nc1c(C)cccc1F)C1CCCC1	395538518	KYGTYDFNXPLNMA-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
CCc1cc(S)cc2scc(C(F)F)c12	396255752	WZKOHPNLTNXDDS-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1c(C(F)(F)F)cc(C)c2ccsc12	396302323	KQGGCLVWTFNECS-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H](C)C(C)(C)C)c1C	399020700	HCNZPLZDRNWXFX-AWEZNQCLSA-N	246.394	4.785	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1ccc(F)c(C)c1	401782519	BVWZAOWUFNYIRJ-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCCC1	403440634	ZWDGFIQNTCJCMY-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CCC(C)(C)C1CC1	406026082	JUMQQFOCHXKYKO-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CCCC1(CNc2cc(C)ccc2C)CCC1	687523734	GHNRNRPGELJUAZ-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CCNC/C(=C/C1(C(C)C)CC1)C1CCCCC1	687552261	KAWQMVFMVXTLNK-VBKFSLOCSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)C1(C)CCCCC1	688966175	XVBPODLJVKJZFO-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)Nc1cccc(-c2ccccc2)c1	689640967	ZPUDBDBBXADHTG-CQSZACIVSA-N	239.362	4.954	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H](C)C1CCCC1	691168641	BOOBDBLLSMCNCT-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2CC3CCC2CC3)C1	691697520	JSOXAMPXPRZFPB-OPKDVZQQSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@@H](NC2CCC(C3CCC3)CC2)C1	695908049	IKJUCMJAXIMUGI-YJNKEBTESA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCc2ccccc2N1	696782813	QNIWNSXOKMHWPY-CQSZACIVSA-N	231.383	4.630	0	10	BJAE	
C1CCC([C@@H]2CNCCC23CCCCCC3)CC1	696838275	PUWQDGQFWBONHU-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CNC)C1CCCCCC1	696854833	UYOFJDZZVSCHHS-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)C1(C(=O)c2ccccc2C2CCC2)CC1	697586222	XDXCSQONWSDJSA-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C1CC(C)(C)C1	701489378	OBPIZLPPOQOLKN-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@](C)(N)[C@@H]2CC3CCC2CC3)CCCC1	704506502	GKVAVSPTMZFCAX-OCUYMYNFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@H](C)[C@@]23CCCC[C@@H]2C3)ccc1F	709121921	BIPPWNCVKKSRIA-IOASZLSFSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@@H](C)CC(C)(C)C	709127320	QCGBDMHWAQLTBU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@@H](C)CC(C)C	709195488	IUBYWIWMGSDDLW-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@](C)(C[C@H](C)C(C)(C)C)C(C)C	711176692	SNGZKUVLWQCYCS-HOCLYGCPSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@H](C)C(C)(C)C	711228965	IEXNAQPCCIPGSC-STQMWFEESA-N	226.404	4.700	0	10	BJAE	
CCC(C)(C)COc1ccccc1C(C)(C)C	713237433	XLHWLZHHBMUZCA-UHFFFAOYSA-N	234.383	4.799	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C(C)(C)c1ccccc1	713331569	QDPIKGQYVDFKLW-UHFFFAOYSA-N	246.394	4.606	0	10	BJAE	
CCC(C)(C)CC(=O)C1(c2ccccc2)CCC1	713368362	DGXDXEFMYBKLGL-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCC[C@H](C)[C@H](CCC(C)=C(C)C)NCC	718575335	YXGBERGLORJVAF-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1c(C)cccc1C	718622422	CPHTZQNJDIJKFH-INIZCTEOSA-N	245.410	4.700	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1sc(C)cc1C	719418855	ILWVJAFBCSOKKG-ZDUSSCGKSA-N	238.396	4.535	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C(C)(CC)CC	721675551	SGKRYVDPCBOVFR-KGLIPLIRSA-N	228.420	4.780	0	10	BJAE	
C[C@H]1C[C@@H](Nc2ccc(C3CC3)cc2)CC[C@H]1C	821905867	JIWCWFYJEIGHRQ-IGCXYCKISA-N	243.394	4.801	0	10	BJAE	
CCCCCCN(C)C1CCC(CCC)CC1	1169952526	KMAYXLVQWYCCEA-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCC[C@@H](C)CCN[C@H]1CCCC12CCCC2	1560988904	LOWJWUKUGVSOPU-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCCCc1c(C)sc(C)c1C	1889493455	CQRHDEVLUUZMRC-UHFFFAOYSA-N	210.386	4.796	0	10	BJAE	
CCCC[C@H](CC)CC[C@H]1CCCC[C@@H]1N	1902113636	SGTHRKJNIUSYKT-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCCNC[C@@H](CCC)C[C@H](CC)CCC	1905368008	DCFSPCLQUZHOCQ-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CC)c1ccsc1	1905370215	XVXZRKVNKPKJFN-GXTWGEPZSA-N	240.412	4.562	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H](C)CC(C)(C)C	1905434011	IWQVXXPWSXUGMB-OLZOCXBDSA-N	226.404	4.844	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)c1sccc1C	1905434630	LIIGYDGZIRZRNO-QWHCGFSZSA-N	239.428	4.533	0	10	BJAE	
CCNCC(=CC(CC)CC)C1CCCCC1	1907324699	XHRWIACJZXHUSQ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(NC[C@@]23CCCC[C@@H]2C3)c(Cl)c1	1909908791	LRKHZKSMGZDLRP-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
C=CC=CCC[C@H](N)c1ccc(C(C)(C)C)cc1	1912073141	FTSWWKVLRVWGJJ-INIZCTEOSA-N	243.394	4.506	0	10	BJAE	
CC[C@@](O)(CCC=Cc1ccccc1)C(C)(C)C	1912123738	CKENMQUQFBHXBG-QGZVFWFLSA-N	246.394	4.667	0	10	BJAE	
C[C@H](C[C@H]1CCCCCCCC[C@H]1O)C1CC1	1913386619	OGPSOAKWXBYFRG-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC(C)NC[C@@]1(C[C@@H]2CCC[C@H]2C)C=CCCC1	1916567599	CGNIQXGMDVCQAQ-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@H]2CCCC23CCC3)C1	1921585371	FOKVCSMRTUEZAL-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC(=O)[C@H](C)C2CCCCC2)CCC1	1924102080	WUSKKYNOKYBMDP-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CN[C@H](CC[C@@H]1CC1(C)C)C[C@H]1C=CCCCC1	1925802809	OCBSILQIDGOZEC-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C=CCCCC1)C1CCCC1	1925886434	DPVYOUMZIAFNGH-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC(CC)C[C@@H](NC)c1cc(C)c(C)cc1C	1926371862	KBHWAWZPYJLXMU-QGZVFWFLSA-N	247.426	4.699	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@H](CCC)C(C)C	1941273039	PEMUODSIPMOINB-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@H](CC)C(C)C	1941273162	PLYPTLZSHJBMLQ-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CN[C@H](C)CC1CCCCC1)C(C)C	1941930277	YCDQJMVXYWZUPS-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)[C@]12CCCC[C@@H]1CCC2	1944150451	ZVJURUOSFFQXLC-PMPSAXMXSA-N	238.415	4.678	0	10	BJAE	
Cc1cccc2cc(C[C@H]3C=CCCC3)oc12	1947552936	SWQIQYJSCPHBBG-ZDUSSCGKSA-N	226.319	4.640	0	10	BJAE	
CCC1(CC)[C@H](N)[C@@H]2CCCCCCCC[C@H]21	1947881899	UIUKWXAZAGJUHM-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)CNC1CCCCCCCCC1	1947882099	WTSWSVRCOXGKBA-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCCC[C@H]1C(C)C	1949047171	NXBIILSHADHIIC-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1949059903	IGJMHOSVKJVSPL-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@@H]1CCC(C)(C)C1	1949534514	DWDXVNGBZGLLKC-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@]1(CN)CCC[C@@H](C)CC1)C(C)(C)C	1950925106	QFRBLEGERUKRGZ-IJEWVQPXSA-N	239.447	4.604	0	10	BJAE	
CC1CCC(C(=O)[C@H]2CCC[C@@H](C)CC2)CC1	1950930448	PASIUJZTKLKPLZ-JLVJUDLZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1C(C)=CCC[C@@H]1C	1963238535	UBCIFRKVVJOSEO-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(OCc2cccc(C(F)F)c2)cc1	1968270427	LAWNOCAKPGIUPK-UHFFFAOYSA-N	248.272	4.512	0	10	BJAE	
CCc1ccc(OCC2CCC3(CC2)CC3)cc1	1968346824	SCUCZEGPRQHZRF-UHFFFAOYSA-N	244.378	4.598	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@H]1CCC2(CC2)C1	1968352691	ZUDPKXVRZDABMU-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
Cc1cc(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)ccc1F	1968592642	XIAVGJAYCNUUAX-AGGWBTHJSA-N	247.357	4.515	0	10	BJAE	
CC(C)(C)C1CCC(N[C@H]2CCC23CCC3)CC1	1972259878	QUFBKCIMUDZOSU-NRXISQOPSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC3(CCC3)C2)cs1	1976292627	VVLRCJCOBJICDJ-GFCCVEGCSA-N	235.396	4.581	0	10	BJAE	
CCCCCc1ccc(NCC=CCl)cc1	1976752813	BYMDLWKXRXWEPK-UHFFFAOYSA-N	237.774	4.584	0	10	BJAE	
C[C@]1(CC[C@@H]2C=CCC2)CCCCC1(F)F	1979996303	JKMIDCFIDTYOEF-CHWSQXEVSA-N	228.326	4.948	0	10	BJAE	
CC=CCCC[C@H]1CCCCCCCC1=O	1984589642	RWOQGWHMOUZXIL-AWEZNQCLSA-N	222.372	4.662	0	10	BJAE	
CC=CCCCC[C@H](O)c1cccc(Cl)c1	1984607784	RAWSOYHCJPZKAX-AWEZNQCLSA-N	238.758	4.510	0	10	BJAE	
CCCC1(CC(=O)[C@@H](C)C(C)(C)C)CCC1	1988428908	YOXAODLMRWBKFM-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)C(C)=C(C)C	1995264736	WNJTXCVFEMIGLI-DZGCQCFKSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](CN[C@@H](C)C1(C)CCCCC1)C(C)C	1995985731	LKMPIICMUXRBSU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1CC[C@H](C)C1	1996249417	FMTCULNNCJLOQL-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](CC1CC(C)(C)C1)NCC	1996616765	NDQSCCGXQWRTHM-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CC(C)=C[C@@H](C)C1	2000169965	CCBHZTTWHQWHKU-TZMCWYRMSA-N	236.399	4.764	0	10	BJAE	
CCC1CCC([C@@](C)(O)CCC=C(C)C)CC1	2002929015	IGXMQVQRSDCWCD-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@@H]1CCCC(C)(C)C1	2002974158	MKKVGOPTGOJWSD-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CCC(CNC2CCC2)CC1	2003098619	HCBLCRVGYMVVQZ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)C1CCCCCCC1	2003169839	MYFCQYYGHSYEGY-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CCCN[C@@H]1CCCCCC[C@H]1CC=C(C)C	2004226457	HTLCJYAXBHTBAH-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)=CCC1(CO)CCC(C(C)(C)C)CC1	2004226657	IOFWTMSZEBZUSE-UHFFFAOYSA-N	238.415	4.558	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCCC2(CC2)C1	2004707584	YVCVULWEBYGPCH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1(CC)CCC(N)([C@@H]2CCC[C@@H]2C)CC1	2006754323	JIOFOFQNOLKEFM-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C=C1CCCCC1	2007920722	LLBYDKSFCRGKPS-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCCCNc1ccc2sncc2c1	2008088215	UNBVNXGCGUSKSV-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC2(CCC2)NC1	2008286073	HRVLWVSPQBUCPC-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1cccc(-c2csc([C@H](C)N)c2)c1	2008405438	ONTXUCCWEHAEBZ-NSHDSACASA-N	245.391	4.558	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CC[C@H](CC)C1	2009594896	HWGKKGKMGFLHOW-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H]1NC[C@H](C)[C@H]1C(CCC)CCC	2009774539	YZDXQPYLXXIYNT-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)C(C)(C)CC	2010713533	DYDBPEKUCIBHSC-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)C(=O)CC1CC(=C2CCC2)C1	2011065257	AXCYJMIFRUKIBY-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC(C)CCCCC[C@@H]1C[C@H](O)CC(C)(C)C1	2012048663	ATHWBANBQXMSDK-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCC1(C[C@@](C)(O)C(C(C)C)C(C)C)CCC1	2015584081	CEBHSGGWMSREAL-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CC[C@@H](CC)C2)CCC1	2015643526	CWXPMCBNKDGGDL-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CCC1CCCCC1	2016149126	GLLUJXWWFBDSNG-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1c(F)cccc1F	2016150987	ZVTOBYZUBXXQLC-NSHDSACASA-N	239.309	4.512	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC1(C(C)(C)C)CCC1	2017140694	JXSAVMTZHFJPLC-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)CC(F)=C(C)C)CC1	2017470291	ZFFTZBLPWPSELX-KGLIPLIRSA-N	241.394	4.541	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C[C@H]1CC[C@H](C)CC1	2017720330	GGRNJVYWNGKRGM-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC[C@@H](C)N2)CC1	2017735510	FYSATZDPVDZOMN-KLHDSHLOSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C1CC1)C(C)(C)C	2018127890	PWKMTPKKYWCXDC-GJZGRUSLSA-N	239.447	4.760	0	10	BJAE	
CCCC1(C[C@](C)(CC)CNC(C)(C)C)CC1	2018986014	VSPDCBYCFLDWBM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CN1C[C@H](C)C[C@@H](C)[C@@H]1C	2019192151	SFKOVVBBIUJPBK-WCVJEAGWSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCC(C)(C)[C@H]1N	2020361292	OJZPPSMTKOHDIM-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCCC1(C[C@@H]2CCCC(C)(C)[C@H]2N)CCC1	2020365577	XPYBRDMBYUASAJ-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCc1cc(-c2ccc(C)c(Cl)c2)ccc1O	2020686018	PYNQSINWDSMKMU-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
c1cc(NC[C@H]2C[C@@H]2C2CCCCCC2)cs1	2022491606	CNCFIGCQTVWJQC-UKRRQHHQSA-N	249.423	4.767	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@@H]2C(C)(C)C)CCCCC1	2022557847	RHGXFJXTOIFLPY-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCCC(=O)C2)C1	2024091952	MNSBHSCCZUTKNI-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1C[C@@H]1C1CC1	2026079934	OZPCSKIGARMEDC-JGGQBBKZSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)C1CC1	2027627636	KKHQAEWVRDECAC-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(N)CCCCCC1CC1	2029600998	RJDJFZBTODYYNI-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(CNCC2(C3CCCC3)CC2)CC1	2029738502	RXTRIQADKBSDHH-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)CC[C@@H](N)c1ccc(C2CCCC2)cc1	2031748454	BDIGBVAVRWWQMM-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@@]23CCCC[C@H]2CCC3)C1	2031797308	CQQSYTWSDANZOM-DMRKSPOLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CN[C@@H](C=C2CCC(C(C)(C)C)CC2)C1	2033723748	QYGQSEDCZNXCGS-LOACHALJSA-N	249.442	4.537	0	10	BJAE	
CC1(CCNC2CC(C3CCCC3)C2)CCCC1	2033764649	NSFQXLDHWDSBPT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(NCC(C)(C)C2CCCC2)c1	2034021033	YQIPOUWUDYYUDU-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
CCNCC1(C[C@@H]2C=CCC2)CCC(C)(C)CC1	2035594053	SNIIIJBIJYBEBP-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC(C)NC[C@@H]1CCCC[C@H]1C[C@H]1C=CCCC1	2035603392	ZBTPONOTEOCZJK-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@@H]1CCCC[C@@H]1C[C@@H]1C=CCCC1	2035603393	ZBTPONOTEOCZJK-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCC(C)C)c1cccc(C2CC2)c1	2036357411	BJPZYIBZINOAER-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C[C@H]1C=CCCCC1	2037273917	DPBOHTYHFYTPEX-YLFCFFPRSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H]1CC[C@](C)([C@H]2CCC3(CCCC3)C2)C1	2037697268	GBMXBMQTIUTPCX-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC2CC3(CCC3)C2)CC1	2039373516	HZXXDWTVMNHNPY-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(CC)[C@H](N)C1CC2(C1)CC1(CCC1)C2	2039459976	JYQFOBYLFOSMDV-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@@H]1CCC12CCCC2)C1(C)CCCCC1	2039868253	OKRYYGYEQHRTTK-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](N[C@@H]1CCC12CCC2)C1CCC(C)(C)CC1	2040634608	ACRPYBFIDBOEQE-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc(C2CCC2)cc1	2040721763	QQUIYMPTHSNUEX-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
C[C@@H]1CC[C@H]([C@]2(N)CCCC3(CCCCC3)C2)C1	2040763835	VGLUUDQSMZUVHC-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H]1C)[C@@]1(C)CC=CCC1	2042028679	YZRJXPWVCXWWAF-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)C[C@@H]1CCC=CCCC1	2045330861	ZPARWEJVEAGWPB-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCCC(C)C)c1cccc(C(C)C)c1	2045633778	ZYCNTGYLJVOAEK-QGZVFWFLSA-N	247.426	4.897	0	10	BJAE	
Cc1cccc(N(C)C[C@H]2CCC=CCCC2)c1	2046557644	CLBDXDVYQLMVSS-INIZCTEOSA-N	243.394	4.568	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CCCC23CCCCCC3)C1	2046563167	BQBBCESGBFBTCW-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
CCCCN(CCCC1CCC1)c1ccccc1	2046583446	MSTGXYUETOQEHG-UHFFFAOYSA-N	245.410	4.873	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C[C@H]1CCC12CCC2	2047931119	CNVJHRRFTXTOFX-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@H]1[C@H]2CCCCC[C@H]21	2048366389	PYGWBNVVMMMZJA-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2048622190	UDEKCZFEQAPDMR-ZHGALXRWSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N[C@H](C)[C@H]2CCC[C@H](C)C2)ccc1F	2049539035	DMPBOAOKRGKGHN-YUTCNCBUSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1c(C)cccc1C	2051407692	JLFDRKASJXAQSP-MRXNPFEDSA-N	245.410	4.700	0	10	BJAE	
CC1(C)CCC[C@H](NCC2(C3CCC3)CC2)CC1	2051914779	NQNVRAZNFQMNDH-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@H]1CCCCC12CC2	2053418686	AJWSDKYTCLPUFD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC[C@@H]2CCCCC23CCC3)C1	2053435545	DJJUDVFUNRMYSV-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1cnccc1C(C)C	2053854524	UDFRLKCQKPTLTD-DZGCQCFKSA-N	246.398	4.586	0	10	BJAE	
CCC1CCC(CN[C@H]2CCCC(C)=C2C)CC1	2055552596	QPDKUCASKWUXDA-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
FCc1ccc(NC2CCC3(CCC3)CC2)cc1	2055677529	IVYUGDLYTQUADA-UHFFFAOYSA-N	247.357	4.681	0	10	BJAE	
O[C@]1(C=C2CCCCC2)CCCC12CCCCC2	2056855048	DMJDMKHGKMMEOI-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@@](O)(CC)c1ccc(CC)cc1	2059223500	NSSQFFPSHRMKDX-KRWDZBQOSA-N	246.394	4.593	0	10	BJAE	
C/C=C/CCC[C@H](NC)c1ccccc1C(C)C	2059248861	BZPTYSGZIVFUBT-RTRPANQVSA-N	245.410	4.817	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1C(C)=CCC[C@H]1C	2059249197	FSYJPYCUXOXRHM-IXDOHACOSA-N	249.442	4.703	0	10	BJAE	
CC=CCCC[C@@H]1[C@H]2CC[C@@H](C2)C[C@@H]1NCCC	2059251777	BNSADIROWZOEKJ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2059254633	AMIXFCWDWBUWBI-UIOQXCJVSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(C2=CC[C@@H](C)CC2)CC1	2060912985	IJMMHARFBADPGJ-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H]2CCC[C@H](CC)C2)CC1	2061098427	JCROOEMWMHCQKQ-WTTBNOFXSA-N	249.442	4.667	0	10	BJAE	
C=C=CCCC1(CNCC(C)C)CCCCCC1	2061567516	ZPDMXDIWCLICCJ-UHFFFAOYSA-N	249.442	4.694	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC2CC(=C3CCC3)C2)C1	2061681573	AMFYDXFJHASQAB-GUYCJALGSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(N)(CC2CC(=C3CCC3)C2)CC1	2061739597	PFFIMQDHNYSLLH-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C/C=C/CCCN[C@H](C)c1c(C)cc(C)cc1C	2062372132	NUGIKCJHPXBBTI-FYCOFBDGSA-N	245.410	4.619	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@]1(CN)CCCCC12CCC2	2062647269	RNALLRQLEZCSKR-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CN[C@H]1C[C@@H](CC2CCC=CCC2)CC(C)(C)C1	2063643515	UXMIZVVUVBWSSV-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(NCCC23CCC(CC2)CC3)C1	2065268539	YEHMJMWGLUDEGP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)c1ccc(C)cc1	2065990772	QVCKSBGFDWMWBU-DOTOQJQBSA-N	247.426	4.860	0	10	BJAE	
CC[C@]1(CCC(C)C)Nc2cc(C)cc(C)c2O1	2065996613	ZFIQTMFDNJVHMR-INIZCTEOSA-N	247.382	4.650	0	10	BJAE	
CC[C@@H]1CCCCC1=C(C)c1ccc(CN)cc1	2067352389	JIFYUKGJNNQYLX-OAHLLOKOSA-N	243.394	4.519	0	10	BJAE	
CC(C)c1ccc([C@](C)(N)C2(C)CCCC2)cc1	2067530186	OJJJAIQUAUMDPP-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CCCCC[C@@](C)(O)C1CC(c2ccccc2)C1	2071395388	FMPORZANAGPJOI-OFLPRAFFSA-N	246.394	4.512	0	10	BJAE	
CCC[C@@H](C(=O)CC1CC2(C1)CC21CC1)C(C)C	2072235314	XRGXXALDXLJZTR-XOYHFGRZSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)[C@H]2CCCCC23CC3)CC1	2072798481	JVZJOSPDLCWDKZ-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@H]2CNC23CCCCC3)CC1	2072810680	YCMNJHQSELKXNJ-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccccc1OC(C)C	2072832401	IWPIMCAUPZOVDM-ZDUSSCGKSA-N	249.398	4.710	0	10	BJAE	
CC1(C(=O)C[C@]23CCCC[C@H]2C3)CCCCCC1	2074111719	FIPHSLOCLBAOKH-WMLDXEAASA-N	248.410	4.886	0	10	BJAE	
CN(CCC1CCCCC1)C1CCC2(CC1)CC2	2074892725	OZZBPKVEPIWCEH-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)[C@H]1CCCN([C@H]2C=CCCCC2)CC1	2075401509	NPMXZIPBJCOGJL-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CCCCN(C[C@H]1C=CCCCC1)C1CCCC1	2076590087	UCVVFGQJBONSSO-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CCC1(C)CC(N)(C[C@H]2C[C@@H]2C2CCCCC2)C1	2079667736	YRXSRXQHVVRFTP-NUWOQIAWSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1C[C@@H]1c1ccccc1	2079860110	CSDJFEAEFYADPN-GOEBONIOSA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@@]1(N)CCCCCC12CC2	2079887523	WMRRQXGQEKXAII-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@]2(N)CCC[C@@H]3CCCC[C@H]32)CCC1	2081135758	FDGHHZKSKBZRBF-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
CC(=C[C@@H]1C[C@@H](C)C[C@@H](C)C1)[C@H]1CC[C@@H](N)CC1	2082134632	WDWURVYOCQLGJQ-RUTNSNJPSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H]2CCCNC23CCCCC3)C1	2083812474	OWHHSHMLYJYHHL-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)([C@@H]2CCC3(CCCC3)C2)C1	2085321145	PJCNYAIHSWDOTM-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)C[C@@H](C)CC(C)(C)C	2215254923	QIYYWEUFSAKRDS-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@@]1([C@H](C)CCC)CC=C(C)CC1	2215841343	XXWOBNGRBOIWBJ-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCCCC(F)F)CC1	2216516808	WJSFERLTPUNRTI-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCN[C@@H]1CC[C@H]1CCCCCCCC1CC1	2216877876	QWXYPAOXWUGTMB-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
O=C(CCC1CCC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218332558	MOZFPRIBCAZTQU-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
C[C@]1(CNCCCCCCC2CC2)CC=CCC1	2218722677	CKWUOPQDPWFTAA-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
O=C(CCCCCCC1CC1)C1CC(C2CC2)C1	2218732449	PEGMDDBAJMEFKE-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@](N)(CC)C/C=C/c1ccccc1	2219090544	AAVWLTGRZIPVKJ-JIIJFUIFSA-N	245.410	4.778	0	10	BJAE	
C[C@@H]1CC[C@H](n2ccc3cccc(F)c32)C[C@H]1C	2220310947	ODFOCXAPWXTMNX-BZPMIXESSA-N	245.341	4.778	0	10	BJAE	
CCN[C@H](CC1CCCC1)C1(C)CC2(CCC2)C1	2221005680	YNCOLVVCJQSQOE-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CC2(C)CC3(CCC3)C2)CC1	2221036307	BIOOSSBWTKDKQK-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C[C@@]2(C)CC=CCC2)C1	2221603809	WKEIOSVMYLTSOE-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CC1=CC[C@](C)(CNCC2(C)CCCCC2)CC1	2221643833	PHIGHUVOCDBKKA-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
Cc1cccc(C)c1C(=O)CC1CCCCCC1	2221926330	YBIOFSXGSWIPKX-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C)c(C2CCCC2)c1	2223271384	CRMHJQRPBXYRMN-AWEZNQCLSA-N	245.410	4.713	0	10	BJAE	
CCC[C@H](C)C1(CNC2CCC2)CC2(CCC2)C1	2223539325	LFIWOGRSOSRAGL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(CNC2CCC2)CC=CCC1	2223542060	NVRBXHQCUNFIHC-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C(=O)CCCC[C@H]2C[C@H]2C)CCC1	2247175676	KOEMXTQFWIADPX-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@H]1CCC1(C)C	2247442277	HTFIQIYKOPAVMK-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@H](NC(C(C)(C)C)C(C)(C)C)C1CCCC1	2247750995	RCEDZQBMNCNKQF-LBPRGKRZSA-N	239.447	4.616	0	10	BJAE	
CCCC1CC(N)(CCCCC[C@@H]2C[C@H]2C)C1	2248817135	VEKFHVKFSGEBRM-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CCCCC[C@H]1C[C@@H]1C)C(C)(C)C	2248869782	JXYWBEUDCONMGM-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@](C)(O)CCCCC[C@H]1C[C@@H]1C	2248871909	RCLSWALLOYEWPB-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
Cc1ccc(N)cc1-c1ccc(C2CCC2)s1	2250260383	QSXVXOBAHNFDRW-UHFFFAOYSA-N	243.375	4.573	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccc2sccc2c1	2250384973	DWPWTQGGQQLNBU-NHYWBVRUSA-N	247.407	4.727	0	10	BJAE	
CN[C@H](CC[C@@H](C)CCCC(C)C)CC1CC1	2250487748	FGCPPJISYAZCAL-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@]1(C)CC1(C)C	2250489825	CHRZITKDIMMWTR-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@@]12CCCC[C@@H]1CC2	2251182696	WFRAPBMJZLRSGB-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C1CC(CC(C)(C)C)C1	2251543156	QUDCWORYUHKLCR-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
Cc1cccc([C@@H](N)CC[C@@H]2CCC[C@H](C)C2)c1	2253934244	GVYRMRFMJPEPLE-QRTARXTBSA-N	245.410	4.601	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)CC[C@H]1CCCC12CC2	2255332285	SKZVWHXRVWUEDL-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NCCCCC[C@@H]2C[C@@H]2C)c(C)c1	2257332468	WLHOCFBPJOMMEX-GOEBONIOSA-N	245.410	4.932	0	10	BJAE	
C[C@H](CCCCC[C@H]1C[C@H]1C)c1ccc(N)cc1	2257340962	PJUPSARBYCMLPB-FMKPAKJESA-N	245.410	4.979	0	10	BJAE	
CN(C[C@@H]1CCCC(C)(C)C1)C1CCC=CCC1	2257940715	QNFMMZYDGNJYFA-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@]12CCC[C@@H]1CC2	2260585700	CQQJPCJLLWAMPB-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CC1CC(CC[C@H](N)C[C@]23CCCC[C@@H]2CC3)C1	2261498981	DPVCUSGRKFBDHQ-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@]1(CNC)CC[C@H](CC)C1	2300675957	JVTLNIVNDRNFFN-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CC(C)(C)CC[C@H]1C	2300700821	NYEXOTPHEILUKB-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@@](N)(CC2CCCCCC2)CC[C@H]1C	2301143655	WBQPVIMGFSWMRK-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](N)CC[C@@H]1C[C@H]2CCC[C@H]1CC2	2301237258	UWPRDAKBAAZDLW-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CCCCCC(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2301338938	ODYCJBZDOKGXEF-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)[C@H]1CCCCC[C@@H]1C	2301967245	IQSIMENNDSGURE-VGWMRTNUSA-N	239.447	4.568	0	10	BJAE	
CCC(CC)c1ccc([C@@H](F)C(F)(F)F)cn1	2302228446	FJYFZPCRCHKGBK-LLVKDONJSA-N	249.251	4.558	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@@H]1C(C)(C)C	2303493010	UDTKRFPMAWKKCQ-ZQDZILKHSA-N	239.447	4.616	0	10	BJAE	
CC1=C(C)C[C@@H](CC[C@H](C)CNC(C)C)CC1	2303574639	BBZDOUAFYPUGEF-BBRMVZONSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C(=O)C[C@H]1CCC(C)=C(C)C1)C(C)C	2303590111	VXTMZHBVKVDLNS-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@](C)(F)C(C)(C)F	2307645498	IIVCXFMBPQKYDP-UONOGXRCSA-N	249.389	4.541	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@H](C)C1(C)CCCC1	2307747703	SAFHFYKBXGQZNK-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc(F)c(C)c1	2307749400	JXLSCJCXXDZBBB-LBPRGKRZSA-N	236.330	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CC[C@H](C)[C@@H]1C(C)C	2307835026	NCPIYRFKIHYNMV-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C12CCC(CC1)CC2	2307901746	ZIJYMAHTXXCJNW-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1CCC[C@@H](CC)C1	2307907666	MXXDTAKGXWODFB-ZJIFWQFVSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@@H]1C[C@H]1CC(C)C	2309910341	SOUYJGPFYCQHLT-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H]1C[C@H]1c1ccccc1	2311548563	IWNXBEYEKXKTBM-ULQDDVLXSA-N	246.394	4.512	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	2313031208	PQSZXNUTYXEFJT-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@](C)(NC(CC2CC2)CC2CC2)C1	2313609361	RFDFUQGGLBNWNO-QGZVFWFLSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2313633149	QEKOXJGPMZNVDN-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1C[C@@H]2CCC[C@H]21	2316503166	OOGVOWXLERBBQM-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CCN1CCCC2(CCCCC2)CC1	2316517074	OYLXJDOZEVPTIL-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316881547	QVTUAOOOBKKKIC-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@H]1CCC2(CCCC2)C1	2318937281	XVSGXZCFPFYINC-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)C1)[C@@H](O)c1ccccc1	2319023523	FPZKXELOHNFCKP-IJEWVQPXSA-N	246.394	4.573	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CCC(C)=C(C)C1)C1CC1	2320334723	ROOHBTILPMWIDP-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@H](C)C2(C)CCC2)CC1	2320345498	AJJWQEOFWZBVTR-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)Cc1cccc(C(C)C)c1	2320654464	XVBKTZQLSBXATF-YOEHRIQHSA-N	248.410	4.540	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@H]2CCC[C@@H]2C)c1	2327675253	JOBPYWRGHWLLCK-ZFWWWQNUSA-N	244.378	4.737	0	10	BJAE	
CCCCC[C@](C)(N)c1cc(C)ccc1C(C)C	2327697836	VHRNLBSLSYHEGW-KRWDZBQOSA-N	247.426	4.873	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1coc2ccccc12	2328104497	IWYHXPRUQVZEMA-GFCCVEGCSA-N	244.334	4.832	0	10	BJAE	
CCCC1CCC(Nc2ccc(F)cc2C)CC1	21816009	ZYRMRXWCTLHRBO-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H](NC)c1ccc(C(C)C)cc1C(C)C	35493918	RZULTTNGDXPXOZ-MRXNPFEDSA-N	233.399	4.604	0	10	BJAE	
CCCCc1ccc([C@H](CCC)NCCC)cc1	35582192	XBVXJQSFVLQYSU-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
C[C@@H](N)c1ccc(-c2cccc3ccccc23)cc1	38070142	MFGRDNFCMFXDKS-CYBMUJFWSA-N	247.341	4.527	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)[C@H](C)[C@@H](C)CC2	49829112	BGROVPPRKQTWNV-VHSXEESVSA-N	237.774	4.544	0	10	BJAE	
CCCCCOc1ccc(C=O)cc1[C@@H](C)CC	66153226	KUTWQBGEUXLSHL-ZDUSSCGKSA-N	248.366	4.582	0	10	BJAE	
CCCC[C@@H](CC)Nc1cc(C)cc(C)c1	68985575	NROLNFQXFHVOPY-CQSZACIVSA-N	219.372	4.684	0	10	BJAE	
CCC[C@H](NCC)c1ccc(C)c2ccccc12	79904931	DKRADNYUQOUVLS-KRWDZBQOSA-N	241.378	4.599	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2c(C)cc(C)cc2C)C1	80457199	XUTOYBZWRJOTBZ-LSDHHAIUSA-N	231.383	4.602	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NC1CCC(C)(C)CC1	88508591	DCTRJHLGADQAKT-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)[C@H](CNC(C)(C)C)c1ccccc1	94675277	RZSLJQMNSRMPST-INIZCTEOSA-N	247.426	4.595	0	10	BJAE	
C=C1C=CC(c2ccccc2)(c2ccccc2)C=C1	96334655	BFPAJUZZSKGAPC-UHFFFAOYSA-N	244.337	4.655	0	10	BJAE	
CCCCCCC(=O)c1cc(C)ccc1OCC	97467762	NLYUGDMBLUXYMT-UHFFFAOYSA-N	248.366	4.547	0	10	BJAE	
CC/C=C\C[C@H](C)c1ccc(CC)s1	107544271	MELCKBKVXSBJGT-ZADCQDASSA-N	208.370	4.770	0	10	BJAE	
CCCNC[C@@H](CC(CC)CC)c1ccccc1	125460013	NFZKCFZKRFHYAE-QGZVFWFLSA-N	247.426	4.596	0	10	BJAE	
CCC[C@@H](C)Cn1ccc2cccc(CC)c21	128372390	VICSRKZCMHKBKV-CYBMUJFWSA-N	229.367	4.640	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC(C)(C)C1)C1CCCCC1	129519753	CPPUQKYZSPSCMW-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc(C(C)(C)C)cs2)C1	131927235	PBNKXEFHBCUGHS-MNOVXSKESA-N	237.412	4.734	0	10	BJAE	
Cc1cccc(N[C@@H](C)c2cc(C)cc(C)c2)c1	132388128	OCCDYPWMSXLBHH-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCCCCC(CCCCC)NC[C@@H]1C[C@H]1C	159012286	HALYUIRVGOQKTD-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C1CCCCCCC1)C1CCCC1	159095781	OXQRPNAJOOVWBG-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCN[C@@H]1CCCC[C@H]1C1CCCCC1	161674227	NCBBJNYRWHELEJ-VDJRXERYSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H](N)Cc1ccc(C(C)C)cc1	161723869	QTVRCYAQEGUFPX-KRWDZBQOSA-N	247.426	4.650	0	10	BJAE	
C[C@H](C[C@H](O)C1=CCCCCC1)CC(C)(C)C	203412211	GRNZSUUGWBZWHH-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](NCC)[C@H](CC(C)C)c1ccccc1	212496484	RSOCQPRFCQMWKI-IAGOWNOFSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CCCC1(C)C	226007714	ZSHMEQVCZKSIOZ-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC[C@@H](CC)C1	227196346	YOYCWGAJPNKEAT-ZNMIVQPWSA-N	225.420	4.514	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)c1ccccc1C	229430897	PZVYSPVWSFKKMU-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCC1(CN[C@H]2CCCCC2(C)C)CCCC1	233096053	GSQXWAVTVDFLLB-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C1=CCCCCC1	233556677	CWFZLFSTLFDDQH-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
CC[C@@H]1C[C@H]1N[C@@H]1CCCC[C@@H]1C1CCCCC1	233910812	GTNJANSAWWCGLC-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
Fc1ccc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1	252424583	IDWHVVXMTZEXCL-DVOMOZLQSA-N	247.357	4.597	0	10	BJAE	
CC(C)c1ccc(C(C)C)c([C@@]2(C)CCCN2)c1	258453774	ZBLTZAYZACIMKW-QGZVFWFLSA-N	245.410	4.532	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1cccc(Cl)c1	300959784	YIKMUWQEYDDEKK-CYBMUJFWSA-N	239.790	4.556	0	10	BJAE	
CCC1CCC(CN[C@H]2/C=C/CCCCC2)CC1	302525778	WYRAOUVKKATFFQ-YLXMDIOESA-N	249.442	4.681	0	10	BJAE	
CSc1cc2c(Cl)cc(S)cc2s1	307484980	BHDADQYNPFEEJV-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC[C@@H]2C(C)C)c1F	310672947	OIDXPNHOFMSZKC-KGLIPLIRSA-N	249.373	4.761	0	10	BJAE	
O=C(CC1CCCCC1)C(C1CCC1)C1CCC1	310719833	HSWKCUXWWAKVGL-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c(CNCCCC(C)(C)C)c(C)c1	313263190	LKLYBBAZUXJVBV-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
CNCC1(CCC2CCCC2)CCCCCC1	316762120	JCVWSDQPEPCPTL-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(CNC(C)C)CCCCC1	319534590	FJLNFBJMMUNPFA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CCC)C1CCC1	322452306	ILHKRIVSTPXDBG-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CCC)C1CCC1	322452313	ILHKRIVSTPXDBG-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCC12CCCC2)C1CCC1	324793187	KRSYSFFSQKYZBS-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CC1(CCN[C@@H]2CCCCC2(C)C)CCCC1	383773470	NSBDVELPIOBKRD-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@H](C)CC(C)(C)C)c1	384441559	GJAGPJQKOVBZKB-CABCVRRESA-N	247.426	4.779	0	10	BJAE	
CC[C@@H]1CC[C@@H](CN)[C@@H](CCC2=CCCCC2)C1	384913760	DWTRUBHDHFBJHC-PVAVHDDUSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1	385212642	ZHZVDVJXAYSZRL-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@@H](NC)c2cc(C)cc(C)c2)CCC1	386160273	FHEBMNSKNFXALU-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)c1cccc2ccsc12	386240098	AREDZMSLJMHXFJ-BXUZGUMPSA-N	247.407	4.583	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H](C)c3ccccc32)cc1	386606874	MCFSTZSBQZSPFU-SUMWQHHRSA-N	237.346	4.655	0	10	BJAE	
CC/C(=C\[C@H](C)c1ccccc1)CNC(C)(C)C	394142558	WELKXXLYAJGEBP-YEQVNJDRSA-N	245.410	4.515	0	10	BJAE	
CCC[C@@H](NCC(C)(C)CC)c1cccs1	394604921	OWALJUMECHPISU-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
CCc1ccccc1[C@@H](N)CCC1=CCCCC1	395100376	ZHZGWQNWIZQGNT-KRWDZBQOSA-N	243.394	4.529	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC12CCCCC2	395667116	JOPFOCHIZBEVTN-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCc1ccc2sc(C(F)(F)F)cc2c1F	396289706	ASWORJUOAUXXQO-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1cc(F)cc2sc(C(F)(F)F)cc12	396300929	PZEDLVMPWBWDQS-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CSc1c(C(F)F)ccc2sc(C)cc12	396412352	VOHRXBMANKTLOY-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
Cc1c(CC2=CCCC2)ccc2ccccc12	401047648	BVPUCEMXTJDWEP-UHFFFAOYSA-N	222.331	4.801	0	10	BJAE	
O=C(CC1=CCCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	401051047	WMUDLMIRRONEFV-ARFHVFGLSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1cccc(C)c1	401861471	ZHDNBEKNLSDKCU-HUUCEWRRSA-N	231.383	4.623	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCC(C)(C)C2CC2)C1	405949342	FAFSACHLIJYECT-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCCC(C)(C)CC	686312740	WSKAEYADDHPUHV-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCC1(CNc2cccc(SCC)c2)CC1	687543580	YNHSIJLXMMMUSX-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CC[C@H](NCCCC1CCC1)C1CCCCC1	688392449	FKQPDRYEYZTMKR-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C2CCCCCC2)c1	688939734	QAIIWPRMCMEDQS-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1CCCC1(C)C	689757781	XHVJZZSZFTVOSR-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H](CC)C1CC1	690189181	NKXSTQHVZLBRHW-INIZCTEOSA-N	245.410	4.720	0	10	BJAE	
CCNCC1(C[C@@H](C)C2CCCCC2)CC=CC1	690501683	PETLZQYEDHGQJJ-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCNCC1(C2CCCCCC2)CC2(CCC2)C1	691432169	ZTIZIAQPXFOZPF-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@H](C(=O)C[C@@H](C)C1CCCCC1)C1CCC1	692768192	BANKWOMWTFQPJZ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(CN[C@H]2CCCC3(CC3)C2)CC1	695717906	RWMCMAUSCXUHNF-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC[C@@H]1C1CC1)C1CCC1	696065784	WVJCPSBRJCWYTF-IKGGRYGDSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCCC[C@H]1C1CC1	696144616	NFLNYXJKDXACKC-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NCC)C(C)(CC)CC	701256457	BKRMMYAYZCDSDX-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)c1csc([C@]2(C)CC2(C)C)n1	702139109	KTFNNMZSVPOUKF-AWEZNQCLSA-N	237.412	4.518	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C1(N)CCC(C2CCC2)CC1	704861852	REHPVSGMFMMXLH-AKBUMOGYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](N)C1(CC(C)C)CCCC1	704869635	XPEFZVXIPIMBLI-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
CC(C)c1ccc(C[C@@](C)(N)CC(C)(C)C)cc1	704909458	BIHGHXIHPRJYDY-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
CCC[C@@](N)(C1CCCC1)C1CCC(C)CC1	704955608	HKNQESULVGRQNR-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1N	711294165	NAEFHTGWISAUBH-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)c1cscc1C	713240808	DIOZZUIXHPVWHU-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
C=C/C=C\CCC1(CNC(C)(C)C)CCCCC1	713724193	LUDSHFRGNRWFPD-SREVYHEPSA-N	249.442	4.847	0	10	BJAE	
CCCC1(CN[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1	714258592	OTHAXQIQTJTNRL-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC[C@H]1C[C@H]1C1CC1	714770803	LRYJHKABJUIFHD-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C(=O)CC[C@H]2C[C@@H]2C2CC2)CC1	714803371	HOLRANDVVQWODF-DISOXQEGSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CC[C@@H]1CNC(C)(C)C	718493957	LTFVIYHUTXGRJA-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)c1cccc(C)c1	718514854	SYAGQBJFGFDXET-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(CCC(C)=C(C)C)C1	718649326	DBZBSQOTZQHORP-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC1CCC([C@]2(N)CCCCCC2(C)C)CC1	719206213	XQWYIUZKMBZHSF-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H](C)C(C)(C)C	720941682	VTHILVOYCUWTEX-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCCC1(C)CC1	720952250	HMMWKUBMHUYUOB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H](C)C1CCCCC1	721698047	NMIRTZWKIQELAZ-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	723109039	MMLBQOIYPSUXHB-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1cccc(C(C)(C)C)c1	723119275	KYBQQFDIQWGOMJ-JSGCOSHPSA-N	244.378	4.603	0	10	BJAE	
C1CC(CCCN2CCC[C@H]2CC2CCCC2)C1	1643622578	RXDIGRQNQWWABJ-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
BrC=C[C@H]1C[C@H]1C1CCCCCC1	1883908375	QGCBRBUUQVLQGE-RYUDHWBXSA-N	243.188	4.502	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cc(C)c(C)s1	1900690342	FOVMOJKHRZNDRB-ZDUSSCGKSA-N	239.428	4.581	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@H](CC)CCC	1905382382	OOJXWHLYLXKLTH-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H](CC)CCC	1905451353	UETLGDNSIUTPQR-KBPBESRZSA-N	226.404	4.988	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H](CC)CCC	1905454192	PNPOPXMCUDDGIO-HIFRSBDPSA-N	227.436	4.747	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@H]1C[C@H]1C1CCCCC1	1910661159	MXUOVLBDYBYJQL-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC=C[C@@H](NCCC)C1CCC(CCC)CC1	1912011774	ZFWRYHWCUWGVMB-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCC1CC(CNC2CC2)(CC2CCCCC2)C1	1921212122	LCLBONZMMNDCMC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC[C@H]2CC2(C)C)C1	1921418766	ISZVIHHUBPKWGW-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C1(N)CCCCCCCCC1	1938723096	VHWBVFIYXRXQCO-CQSZACIVSA-N	225.420	4.645	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCC[C@@H](C)CC1	1939904612	YOOCDTFZMYWGMN-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
CCCNC[C@H](CCC)CC1(C)CCCCC1	1940406378	MBYOKAXKMZLFTA-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
C[C@H](CCCCN)C1CCC(C(C)(C)C)CC1	1941145520	ZPEHYKQCTDZIEM-WLYUNCDWSA-N	239.447	4.604	0	10	BJAE	
CCCNC[C@@](C)(CCC)[C@H](C)CCC(C)C	1942661838	WYUPEUDKBGDZSD-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC[C@]1(C)C=CCCC1	1943135395	JXSUKHIZIZDGNS-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCCC(=O)C1CCC(F)CC1	1944474571	BHYACVLRBCWBFN-UHFFFAOYSA-N	242.378	4.690	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(C2(C)CC2)cc1	1944597517	AFHQXMIBGYWENJ-CQSZACIVSA-N	231.383	4.729	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](O)C1(C)CCCCCC1	1944851276	BMUXMGZIGFNGOA-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cccc2sccc12	1945956327	FRTLVFLZAXOZIN-XHDPSFHLSA-N	247.407	4.727	0	10	BJAE	
CC(C)CCCC1(O)C[C@H]2CCCCC[C@@H]2C1	1947842708	MAKUXQFTLUAGFL-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H](C)CC(C)C)c(C)c1	1948323775	RQZIJBZXQPSHFI-UKRRQHHQSA-N	233.399	4.786	0	10	BJAE	
CCC1(C)CC(CNC(C)C)(CC(C)(C)C)C1	1948407743	SWWIQHJXKCQQJO-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CC1(CNCC)CC(C)(CC)C1	1948412481	ZDMQLAZELYSDNR-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C(=O)[C@H]1CCC2(CCCC2)C1)C(C)(C)C	1949498249	VGWCIWXNHWSVPY-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@H](CC1CCCCC1)NC	1949914097	CZIKXZIPLVGEBK-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@@H](C)CC(=O)CC1CCCCC1	1949924892	ZCTMDGSFDPSFSP-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@@H](N)[C@@H]1CCCC(C)(C)CC1	1950922429	NSCUKHZAUWMSEV-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2CC=CCC2)CC1	1950926118	ZVRRWPXBRQLRHH-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2CCC[C@H](C)CC2)CCC1	1950931828	ZNAWMVALUVLYJY-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC(=O)c1cc2cscc2s1	1961407909	ZBXSXWAXZPSEMD-UHFFFAOYSA-N	236.361	4.502	0	10	BJAE	
CCCC(=O)c1ccc(-c2ccc(Cl)cc2)o1	1962721392	RNIVOOYQHRATQA-UHFFFAOYSA-N	248.709	4.583	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1NC1CCC2(CCC2)CC1	1965978509	KBFLPANQGPMROT-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CNc1cccc(C2(C)CC2)c1)C(C)(C)C	1967832864	UQPVULBRCNZETJ-ZDUSSCGKSA-N	245.410	4.832	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@H]1CCC2(CC2)C1	1968277702	XRVIXWCZUQIPTK-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CC[C@@H]1CC(C)C	1971662947	UFSMYOBBRRZXQD-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](NC2CC3(CCCCC3)C2)CC[C@H]1C	1972429695	GOBMGWRMXDKLJI-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CN[C@H]1C[C@H](C)c2ccccc21)C(C)C	1973383934	IDWZLQBWLCSQPM-VBQJREDUSA-N	245.410	4.507	0	10	BJAE	
CCCCCCC(=O)C1CC(C(C)(C)C)C1	1977054457	OANJUPGFNRKIRI-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC(=O)c2cccs2)C1	1980688508	WRTXRGNFKZEWFM-VXGBXAGGSA-N	236.380	4.537	0	10	BJAE	
CCc1csc(C2(C)CCC(C)(C)CC2)n1	1983315775	FBNVNAZFQPGHKR-UHFFFAOYSA-N	237.412	4.563	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1(CC(C)C)CC1	1988522738	BKPMUDWZRBTTJB-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCc1ccc(NCC(C)=C(C)C)cc1Cl	1989628792	VTKWCAWCLIEJKU-UHFFFAOYSA-N	237.774	4.671	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CCCCCC1CC1	1989801156	ODLMIICKDGSRCH-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)COc1cc(C)c(Cl)cc1C	1989927299	YVJOTOFHXYEKLH-UHFFFAOYSA-N	240.774	4.772	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C(C)(CC)CC	1995262504	NWSQJUIFAZTKIH-UONOGXRCSA-N	227.436	4.747	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@]2(N)CCCCCC2(C)C)C1	1996258796	BNHLSLWNZYCDJE-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)C1CCC(C)CC1	1996555653	SQDHOYFMQBQEEG-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CCCSc1ccccc1NC[C@@H](C)C1CC1	1996569303	HTXIHLFJSDPCMU-GFCCVEGCSA-N	249.423	4.647	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CC[C@H]1CC(C)C	1998749278	PCPYLLXQHLXPDE-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C(C)(C)C(C)(C)C)C1	2000144457	XDTCRJVXMKFLRM-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CCC2CCCC2)C1	2000182998	WBQHMCLNLNLTFJ-SWLSCSKDSA-N	234.383	4.518	0	10	BJAE	
CC1(C(=O)C[C@H]2C=CCCC2)CCCCCC1	2000213161	DEUPIXHHODDZKM-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1C(C)=CCC[C@@H]1C	2000292823	GMQBCTIBKVQFNT-DZGCQCFKSA-N	236.399	4.764	0	10	BJAE	
CCCC1([C@@H](CCC=C(C)C)NCC)CCC1	2000375617	DUBYECVVNMEDJK-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@@H]1C)C(CC)(CC)CC	2000389999	JAUSAONPXNOYDC-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@@](C)(CCCC)CNCCC	2000515102	PVVLIMLKDHOPLL-MRXNPFEDSA-N	237.431	4.705	0	10	BJAE	
CCCC1CCC([C@](C)(N)[C@@H](C)C(C)C)CC1	2002920476	FBCZYDHPEHGOEU-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](NCC)[C@H](C)C1CCC(CC)CC1	2002926152	OLPWLPTVKDLCSS-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)[C@@H]1CCC[C@@H](C)C1	2003013663	IPEBNAKNFXLGDS-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@H]1CCC2(CC2)C1	2003198178	QATXQPSXEGAMPE-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@@]1(C)C=CCCC1	2003321104	MGSZKBYWCZPJRI-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C[C@]1(C(=O)CCC2=CCCCC2)C=CCCC1	2003335499	UFKWXDXRDHRQNS-INIZCTEOSA-N	232.367	4.583	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)C1CC=CC1	2005780431	AOFZNOYHLIAXOY-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC=CCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1N	2009616692	LDZFSDLVJMXEIV-ZNMIVQPWSA-N	237.431	4.523	0	10	BJAE	
CCCCCC1CC(Nc2cccc(C)c2)C1	2009716431	TVDJEWKJOIMTNK-UHFFFAOYSA-N	231.383	4.766	0	10	BJAE	
CCCCCC1CC(NC2CC(C)(CC)C2)C1	2009716771	AUUKGKXYQFDSNX-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@H]1CCC[C@H]1C	2011184590	TUPPKIFUVTWDDD-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H]1CCCCCC12CC2	2011275568	TWZYOKILIIINLC-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011976030	XWKJNXNGMPYDJM-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC(N)(C1CCCC1)C1CCCC1	2013223588	UZMZUOZPLOXOPB-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC1(C)CCCCC1	2013271759	VHYDMFUZVPUARU-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
c1cc2cc(N[C@H]3CC[C@H]4C[C@@H]3C4)ccc2s1	2015549066	UVFRJSASNCMUEE-SUHUHFCYSA-N	243.375	4.502	0	10	BJAE	
CCCC1(C[C@@H](O)[C@H](C)C2CCCC2)CCC1	2015635220	NVJNTFSZBUJDGI-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)CN[C@]1(C)CCCC(C)(C)C1	2017625410	YZLYHDWCUYWADI-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C(C)C)[C@@H](C)O)CC1	2017712398	OAVCJJKDAIFCEH-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(CC(CC)(CC)CNC)CC1	2017725664	TYTQLMFVNBATQA-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC1=C(C)[C@](O)(CCC2=CCCCC2)CCC1	2019766387	GXVOHFGISGRYQW-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H]1[C@@H](C(C)(C)CC)CCCC1(C)C	2020350269	AHBSXGZDPMAGAU-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]1[C@@H](C(C)(CC)CC)CCCC1(C)C	2020363108	GPOOUEJHCYPHJF-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccccc1C1CC1	2021025888	FILRMWLOKRUKFS-GFCCVEGCSA-N	231.383	4.801	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1ccc2sccc2c1	2022491935	GCKRCEFXJCCSOL-AAEUAGOBSA-N	245.391	4.749	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)CCCC(C)(C)C)[C@@H]1C	2022992165	LWFVIMCZMOOXED-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
CC(F)(F)CCCCCC1(CO)CCCCC1	2023304430	NXARKNFZZOMTPL-UHFFFAOYSA-N	248.357	4.535	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@H]1CCCC(C)(C)C1	2024091784	LNXIWRLDHQFPFU-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCC[C@@]2(C)O)C1	2024115860	GCYDSKOIZYASCC-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@](O)(C[C@H]1CCCC(C)(C)C1)C1CCC1	2024121496	DOHYFFLXUXUNOZ-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)C1CC(CC)C1	2026143276	KLAKMLPNHHDWOK-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1C[C@H]2CCC[C@H]1C2	2026243940	QAQRVCQFWMFROM-VGWMRTNUSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)c1cc(C)cc(C)c1	2027733293	WVAHJOMKCHBICP-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
Cc1cc(C)c2c(c1)NC1(CCCCCCC1)O2	2027872287	YCCJVBLJXAVXOA-UHFFFAOYSA-N	245.366	4.548	0	10	BJAE	
CCC[C@H]1CCC[C@@]2(CC1)Nc1ccccc1O2	2027873991	CYESUOXRGQCYCV-XJKSGUPXSA-N	245.366	4.568	0	10	BJAE	
CC[C@](N)(c1ccccc1C1CCC1)C(C)(C)C	2028549422	MURLFQRVMULTLI-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@H](c1ccccc1C1CC1)[C@H](C)CC	2028550287	VCZCWULRNDHIPR-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](NC)c1ccc(C2CC2)cc1	2028594607	YQLZVGLPUAPVGF-IRXDYDNUSA-N	245.410	4.507	0	10	BJAE	
CC(C)Cc1ccccc1[C@@H](N)[C@@H](C)CC(C)C	2028917085	AKGYXBVGGHAZDK-YOEHRIQHSA-N	247.426	4.567	0	10	BJAE	
CCC(CC)C[C@@H](NC)c1ccc(C2CC2)cc1	2029081052	NXLUEIKDKWRYAD-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
C[C@@H](NC1CC(C2CCC2)C1)C1CCCCCC1	2029285930	XXCSCJZIRUMHQP-NVPAJSRCSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(F)ccc1NC1CC(C2CCCC2)C1	2033766709	IHZPQSUMOMBNMI-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCC(F)(F)CCNc1cccc2ccccc12	2035898882	BKJOWTQVWTXCBO-UHFFFAOYSA-N	249.304	4.687	0	10	BJAE	
Cc1cccc([C@H](C)N[C@@H](C)[C@@H](C)CC(C)C)c1	2036377727	WGGBAAGOHORGAL-JYJNAYRXSA-N	247.426	4.716	0	10	BJAE	
CN(CCCC1CC1)[C@H]1CCC2(CCCCC2)C1	2036770069	APHQIVZFKNTOCB-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCC1([C@@H](N)c2ccccc2C2CCC2)CCC1	2037085354	QWZLQFSEAAJIFE-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
NC1(C[C@H]2C=CCCC2)CCC2(CCCC2)CC1	2037305604	TZBLDDQRPMHUTD-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC1CC2(CCC2)C1	2038078863	OZMUPLSXAGFMCV-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@H]1CC12CCCCC2	2038997000	PPDNGLJQQRGGCT-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CC2CCC=CCC2)CC1	2039368699	DNHQMEFFDCRXCX-OIISXLGYSA-N	249.442	4.667	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)C[C@@H]1CCC[C@@H](C)C1	2039433985	GJUUNWVDQDKRCT-GWZLXJJCSA-N	249.442	4.523	0	10	BJAE	
CCC1([C@@H](N)c2c(C)c(C)cc(C)c2C)CCC1	2039719951	MVSXWFRODPFSCJ-INIZCTEOSA-N	245.410	4.500	0	10	BJAE	
C[C@H](N[C@@H]1CCC12CCCC2)C1(C)CCCCC1	2039868254	OKRYYGYEQHRTTK-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCc1ccc(CC)c(NC[C@@H]2CC[C@@H](C)C2)c1	2040125812	AFNCTRGVFBKBNL-UKRRQHHQSA-N	245.410	4.660	0	10	BJAE	
CC[C@@](N)(C[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	2040681820	WSGHKWHPEYZCAK-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@]1(C)CC=CCC1	2042022038	NOEOJXCVZOFJED-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1NC[C@]1(C)CC=CCC1	2042070132	QSTHVOQSXAYEDD-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@@H]2CCC=CCCC2)C1	2045312279	NIXPRZZJRPNCIN-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CN[C@@H]1CCCC[C@@H](C[C@@H]2CCC=CCCC2)C1	2045325221	CJDRAPPIDVLIQO-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C(=O)[C@@H]2CCCC(C)(C)C2)ccc1F	2045448703	DKYWATVIWMPIBC-CYBMUJFWSA-N	248.341	4.533	0	10	BJAE	
CC(C)c1ccc([C@@](C)(O)CC2(C)CCC2)cc1	2046900655	CJRMXXRPCSJSDI-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCC1([C@H](C[C@H]2CC23CCCC3)NC)CCCC1	2047008755	ORTZOGKLIGTFRO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CCc1ccccc1	2049640184	OWYKVGLBYBRGRT-MRXNPFEDSA-N	244.378	4.549	0	10	BJAE	
Cc1cnc(NC2CCCCCCCC2)c(C)c1	2049645084	HEVYVUQOQFXLIF-UHFFFAOYSA-N	246.398	4.613	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)C[C@H]1CCCC2(CC2)C1	2049850551	YQUVWHHKSQEWGW-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC[C@]1(CC2CCC3(CC2)CC3)CCCCCN1	2049855340	LSOGZCDVBUXFNS-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@H]1CCC2(CC2)C1	2049937646	ICFDUUWZZCTDEN-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1CC(CC2CC2)C1	2050216818	MTSCUMLECZJAJZ-GYTBAZASSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCC[C@@H]3CC[C@@H]32)CC1	2052287988	GOOJMMDQWFFRGB-QTPCEWDRSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@@H]2CC[C@H]21)C1CCCC1	2052307103	FUUWHYSLGDWKPA-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCCC1CCC1)[C@@H]1CCCCC12CC2	2053419454	FPQQDEJLHXTRGU-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C1(C2CC2)CCCC1	2057607849	AJLCQLAIBVOJRW-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1C(C)=CCC[C@H]1C	2059249196	FSYJPYCUXOXRHM-IKGGRYGDSA-N	249.442	4.703	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2059266273	DUDBEYXDWAAXTQ-UIOQXCJVSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@@H](N)[C@@H]2CCCC(C)(C)C2)CC1	2061096181	SDLFVWDWSCDBBR-HUUCEWRRSA-N	249.442	4.667	0	10	BJAE	
CC1=CCCC[C@]1(O)C1=CC[C@H](C(C)(C)C)CC1	2061097256	APPMWBMQZJLRNZ-WMLDXEAASA-N	248.410	4.620	0	10	BJAE	
C[C@H](NCC[C@]12CCC[C@@H]1C2)C1CCCCCC1	2061572956	UUENVNRWMPCYBR-UAGQMJEPSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)CCC[C@@]23CCC[C@@H]2C3)cc1	2061596147	KMMVPBATQDNICR-NVXWUHKLSA-N	242.362	4.538	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C1CC(=C2CCC2)C1	2061734827	RIDKPZUHWKWSKF-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
CC[C@]1(CC2C[C@@H]3CCC[C@H]3C2)CCCCCN1	2063491759	UHICPXFSIVUMSG-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](Nc1c(C)cccc1F)c1occc1C	2063670325	BYKXGEYGDRZXRU-CYBMUJFWSA-N	247.313	4.599	0	10	BJAE	
C[C@H](CNC12CCC(CC1)CC2)C1CCCCC1	2065261564	ZAJQODNEEAKDRJ-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]1CC[C@@](C)(CC23CCC(CC2)C3)C1	2065340679	YHUYRHKWPGCGMR-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(NC2CCCCCCCC2)n1	2066348897	HHRKFASOUFBQPR-UHFFFAOYSA-N	246.398	4.559	0	10	BJAE	
CC1(C)CC[C@]1(CNC1CC1)C1CCCCCC1	2068233364	NNJZGZXIPZEMOZ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2C[C@@H]3CC[C@@H]3C2)CCCCC1	2068773506	WROZFWQGRNLTBC-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](N)c2c(C)cc(C)cc2C)CCC1	2069336887	FRCQUMNZFRUFRU-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CCCC1(C[C@H](N)C[C@H]2CCC23CCC3)CCC1	2069340831	ZDFKCGCEUMHOFN-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC(CC(=O)C2(CC3CC3)CC2)C[C@@H](C)C1	2069501988	YVLAAXAGRYMATH-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C1(CC2CCC2)CC1	2069570669	NEKBTTJQGVXFON-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N2CCC23CCCCCC3)C1	2070392945	ODTGSNKWHBMXCU-ZSHCYNCHSA-N	249.442	4.610	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCC(C1CC1)C1CC1	2070400824	YVLOBMUNPNSJBZ-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC)CCC1CC2(C1)CC21CC1	2072232922	VMAGKRSQIJBBKP-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@H](N)C[C@@]23CCC[C@H]2C3)CC1	2072797255	XSLUNTYXHWFGRU-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC(C)=C[C@H]2N)CC1	2072806613	NNCGYKPHWFADSL-BHUNQDJPSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@@H]2CCC3(CC3)C2)CC1	2072807195	TTZRRPAYKNGRCQ-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@](F)(C[C@H]1CC[C@H](C)CC1)c1cccc(N)c1	2072820584	ILQCQDZUMWANST-XJKCOSOUSA-N	249.373	4.670	0	10	BJAE	
CCCCC[C@H](CC)NCC1CC2(C1)CC21CC1	2073345785	JZGDUDIKRNBBTQ-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CC(=O)CCCc2ccccc2)CC1	2074602309	ZMYQZYFZEIDBQY-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCCC2(CCCC2)C1	2074899350	KBUBDGKNTYYJGH-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCC(CC)CCN(C)Cc1c(C)cccc1C	2074918560	IZAYRQCQJIPABK-UHFFFAOYSA-N	247.426	4.562	0	10	BJAE	
CNC[C@@]1([C@@H]2C=CCCCC2)CCCCC1(C)C	2075373520	PLYDGKSSNHYOFO-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1cccc(C)c1F	2077189428	HWZZLQUFXFNZBH-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCCCc1ccc([C@](N)(CC)C(C)(C)C)cc1	2078003463	MTFLYPCJTXRIAJ-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1ccccc1C1CCC1	2079473324	KHFVLCJUTCLLOU-CJNGLKHVSA-N	242.362	4.573	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)c1ccccc1CC	2081208840	JIZAZCWYEZHYGT-GJZGRUSLSA-N	247.426	4.868	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc(F)cc1CC	2081944380	ILQLLDMUPNLVPA-ZFWWWQNUSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CC(=O)[C@H](C[C@H]2C[C@H]2C2CCCCC2)C1	2082263740	GTQSXUSRARKGRE-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@](C)(O)Cc1cccc(C)c1C	2082943423	AHEWLTLODFQTQA-KRWDZBQOSA-N	248.410	4.567	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)CCC=CCCC2)C1	2082979704	POWRDATUTQUJNW-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
Cc1cc(F)cc2cc(C3CC4(CCC4)C3)[nH]c12	2083315024	NMTYGFGTVUNZHM-UHFFFAOYSA-N	243.325	4.663	0	10	BJAE	
CCCOc1ccc2occ(C3CCCC3)c2c1	2086723512	KJAUALIFZCWWKM-UHFFFAOYSA-N	244.334	4.879	0	10	BJAE	
CC1(C)CCC[C@]1(O)CCCCCCC1CC1	2213580696	NQOIUCSOXJEGDU-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(O)(CC(C)C)CC(C)C	2215238562	XECAANYSJXWDPX-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CCNC[C@]1(C)CC=C(C)CC1	2215806270	CJKZZWCRZNXJFS-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@]1(C)CC=C(C)CC1	2215815532	LGWCRHJWKVXKQW-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)CN[C@@H]1CCC[C@H](C(C)(C)C)C1	2216255027	BLFVICRYXLABTE-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCCCCCCC1CC1)[C@H]1CCCN1	2216878965	GOTLHFYTKRHEDW-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](CCCCCCCC2CC2)CN1	2216892422	IYTXMQYYVXXCBD-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@](C)(N)CCCCCCCC1CC1	2216903624	SGSOXFSTCRTPCL-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NC[C@H]([C@H](C)CC(C)C)C(C)(C)C	2217158578	DCFBTJOJONBYRL-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CC1(C)CC(C)(CC2CCC3(CCCN3)CC2)C1	2221035686	SMJIOVYWRWQFIZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@](N)(CC2(C)CC3(CCC3)C2)CC1	2221036306	BIOOSSBWTKDKQK-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)[C@@H]1CCC[C@H](C)CC1	2221997636	UYMVFPROHHUPKR-XGWLTEMNSA-N	246.394	4.553	0	10	BJAE	
C[C@@H](C[C@H](O)[C@H](C)c1ccccc1)CC(C)(C)C	2224173978	PLFLORUSLSXSGO-LZWOXQAQSA-N	248.410	4.613	0	10	BJAE	
CC(=O)CC(C)(C)CC[C@H]1CCC[C@H](C)C1	2242770437	PBVFBHCCNRXTOT-GXTWGEPZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1CCC[C@H](C)C1	2244785260	XKEBCAKNDIAMCG-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCCCC(=O)C1CC(CC(C)(C)C)C1	2245376285	BXJKFTLPQZJJNT-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1CCC1(C)C	2247444366	MGQWQIIJFBKJNZ-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@H]1C)CCC(C)C	2248805851	CSDAZYIELOWJIG-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H]1CCCCCC1(C)C	2250381398	NVXNXNVLJWGJFE-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](CC)c1ccccc1	2250387564	QBACRUSJVGBAAD-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)C1CC=CC1	2250468267	BQXLCGPANGDTRX-ZBFHGGJFSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](C)[C@@H](N)CC1CC(CC(C)(C)C)C1	2251584447	FPYKYJXLVBVICK-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(O)CC(C)(C)CCC1(C)C	2251673820	KLCOAKSYGXQXGC-CZUORRHYSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H]1[C@H](C[C@@H](C)CCC)CCC1(C)C	2251712530	NOABNLPAOGWLEV-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)c1cnc(-c2ccc(F)cc2)s1	2252704884	LHTQPWYAYUDZAF-UHFFFAOYSA-N	249.354	4.637	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2CC3(CC(C)C3)C2)CC1	2254161227	LUDNOHIGLCKOFX-YTVKCJQUSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H]1CN1CCCC12CCCCCC2	2254974451	QKMQWFQLTWQFMO-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCC[C@H](N(C)CC2=CCCCC2)CC1	2255206472	YXZVPUWTLANTJC-RDJZCZTQSA-N	249.442	4.778	0	10	BJAE	
CC1CCC(C(=O)CC[C@@H]2CCCC23CC3)CC1	2255313660	SHRPNORZTYFAIR-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
C[C@@]1(C(=O)CC[C@H]2CCCC23CC3)C=CCCC1	2255315270	LNKMKFDYEDFDQQ-GDBMZVCRSA-N	246.394	4.662	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc(C)c1C	2258233987	STQXOHWJUKMYKU-HYSWKAIVSA-N	245.410	4.848	0	10	BJAE	
CC[C@H](Nc1cc(C)c(C)c(C)c1)[C@H]1CC1(C)C	2258234752	DMAUBSOARUCAQI-CVEARBPZSA-N	245.410	4.848	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1C2(CCC2)C12CCC2	2259453291	JQHWJOWNJRZAFE-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCCNC12CC2	2259676586	VVWCUWAWTUKEHJ-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](C[C@@H](C)CC1CCC1)NCCC	2298942273	KCLGAAKSXDFISA-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CC(C)(C)CC[C@@H]1C	2300700822	NYEXOTPHEILUKB-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCNC[C@]1(CCC(CC)CC)CC1(C)C	2300704214	OWJYZONRDNYPJO-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)=CCNC[C@@H]1CCC[C@H](CC)CC1	2300868254	WPJXSBADIDWLKD-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(=CC[C@]1(N)CC=CCC1)CCCC(C)C	2300887200	BAAJIUHYIAAVND-INIZCTEOSA-N	235.415	4.587	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C(C)(C)C(C)(C)C	2300908684	GRTLPPSKKPPZBE-CQSZACIVSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@H](C)[C@H](C)C(C)C	2301843002	GECRFQNXQGNBRO-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
O=C(CCCCC(F)F)CCC1=CCCCC1	2301921250	MJDVTIFQZBMJPR-UHFFFAOYSA-N	244.325	4.662	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)CCC1=CCCCC1	2301929239	TWWNZDXFGAESHG-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
CCCN[C@@H]([C@@H](C)[C@H](C)C(C)C)[C@H](C)CCC	2301959275	RLGWPHVVYVEOEC-LVQVYYBASA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H](C)[C@@H](C)C(C)C	2301960782	DXUZKKZLBBMNCZ-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
Cc1cc(F)cc(CCCC2=CCCCC2)c1	2302347321	PVQIOTJTMVIPMI-UHFFFAOYSA-N	232.342	4.957	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@@H]2CCCC2(C)C)C1	2302876465	UHPHHAHHSVUUOG-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1NC1C[C@@H]2CCCC[C@H]2C1	2302885403	ORPBVYYPORIUFJ-STQMWFEESA-N	249.423	4.691	0	10	BJAE	
Clc1cccc(NCC[C@@H]2CC[C@H]2C2CC2)c1	2303158158	BQLAATIMIOFLJJ-WFASDCNBSA-N	249.785	4.578	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H](C)c2cccs2)CC1	2303593716	ZXJWKAMWDCBSMF-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
CCc1oc2c(Cl)c3ccccc3cc2c1O	2307647664	KSYAUGXFTIRCOC-UHFFFAOYSA-N	246.693	4.507	0	10	BJAE	
C[C@H]1C[C@H]1c1csc([C@H]2CCC[C@@H](C)CC2)n1	2307684863	VORBCXYPAAZYCT-MROQNXINSA-N	249.423	4.950	0	10	BJAE	
CC(C)(C)CCc1nc([C@@]23CCC[C@H]2C3)cs1	2307692728	ILQSQWBBAZAWMP-XHDPSFHLSA-N	249.423	4.563	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCC[C@@H]1C[C@@H]1C)NC	2307841034	HYNXPRIHJGALGZ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(O)CCCC2(CCC2)C1	2307846911	VZZYRDBKTSPKRC-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@]1(C)CC1(C)C	2307893957	KDDHLCIRPKSYAK-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)[C@@H]1CCC[C@H](C)C1	2307898320	JINFZVBGLWWAHP-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CO)CCCCC12CC2	2307899611	RBQCZXKSGSVZGS-HOCLYGCPSA-N	238.415	4.536	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)CC1CCCCCC1	2307900626	GILIRSZWOAYXFK-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](c1ccccc1C(C)C)[C@@H]1C[C@@H]1C	2309814841	GYMSWDDGQHYHNK-XKQJLSEDSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)C[C@@H]3CCCC[C@@H]32)CCC1	2310988127	PZRGIZKLHMQBTL-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CC[C@@]1(C[C@@H]2C[C@H]2C2CCCC2)CCCCCN1	2311566256	LBGCAQPZQMBPKE-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)CCCC1	2313333572	MEMNOYHBJVYLAQ-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC1CCC1)N1CC=CCC12CCCCC2	2313602643	BQPOWCRGFODVNH-HNNXBMFYSA-N	247.426	4.530	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)CCC2(CCCCC2)C1	2313664359	ICGSWLTUHVNKRP-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CCN1CC(C)(C)c2ccccc21	2316267679	ZWQOKBAZMQSBCN-UHFFFAOYSA-N	245.410	4.611	0	10	BJAE	
CC(=CCc1cnn(C(C)C)c1)CCCC(C)C	2316574485	WQAGWBZVHYWMGD-UHFFFAOYSA-N	248.414	4.779	0	10	BJAE	
CCC(CC)C[C@@H](N)c1ccc(F)cc1C1CC1	2317066109	AHFJOQKQYHIBDT-MRXNPFEDSA-N	249.373	4.529	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)c1ccccc1C1CC1	2317836279	UDTZSKGONIQQIP-QWHCGFSZSA-N	244.378	4.675	0	10	BJAE	
O=C(CCC1=CCCCC1)CC[C@@H]1C[C@@H]1C1CC1	2317938461	JDLLWZHLDIEKCL-NVXWUHKLSA-N	246.394	4.662	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1[C@H]2CCCC[C@H]21	2317941532	POJKDLZTJWQOIK-FVQHAEBGSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC[C@H]2CC[C@H]2C2CC2)C1	2319751220	VSRJEVIWYAHAQC-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1NC1CCC2(CCC2)CC1	2320134051	JUBXFNFZQVKKJZ-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CC[C@H]2C(C)(C)C)cc1	2320138286	DRMVRNXEJOZPTE-HUUCEWRRSA-N	244.378	4.504	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2CCC(C)=C(C)C2)CCC1	2320326840	IGRYWAOGJFVTFR-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CCNC[C@]1([C@@H]2CCC[C@H]2C)CCC(C)=C(C)C1	2320394440	POCPDQJCTWTBDW-OIISXLGYSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](Nc2ccnc(C(C)C)c2)CC1	2320397762	NPNLCEWTIXFMJV-AWEZNQCLSA-N	244.382	4.506	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@@H]2CCC(C)=C(C)C2)CC1	2320411364	DLVHEBVCNGYBKO-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CC[C@H](C)[C@H]2C(C)C)CC1	2320424659	SJIOWLVAPQBPBZ-RKTXRCNFSA-N	249.442	4.536	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@H](C)CC2CCC2)c1	2320578970	XTJQEOZCNGETIO-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CC(C)(C(=O)[C@H](CC1CC1)C1CC1)C1CCCC1	2320817304	UHPPQNASQLGRLI-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)CN1CCCc2cc(C)ccc21	2328101147	HHSDAVQOLSTFMH-OAHLLOKOSA-N	245.410	4.574	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(C)c(F)c1	21809766	SVVMFLVTGHARSE-DGCLKSJQSA-N	237.362	4.761	0	10	BJAE	
CC[C@H](C)n1c(C2CC2)nc2cc(Cl)ccc21	40407696	OMUCZDIVCDZTCU-VIFPVBQESA-N	248.757	4.538	0	10	BJAE	
CC(C)CC[C@H]1CCCC[C@]1(O)c1ccccc1	62722908	LLPLCMCXEWXFPO-SJORKVTESA-N	246.394	4.501	0	10	BJAE	
CCc1cccc(N[C@@H]2CCC[C@@H](CC)C2)c1	71105947	IRHZKTKGRXJNEM-GDBMZVCRSA-N	231.383	4.630	0	10	BJAE	
Cc1cccc(-c2cccc3cnc(C)cc23)c1	74473057	XWZMVNBWVBTUEK-UHFFFAOYSA-N	233.314	4.519	0	10	BJAE	
COc1cc(Cl)c(C)cc1C1CCCCC1	75841226	VCXOXHLJRQDIKW-UHFFFAOYSA-N	238.758	4.705	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCC[C@H](C2CC2)C1	81627475	KTAXNCWTQNNXGN-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](Nc1c(Cl)cccc1Cl)C(C)C	83847664	QOPIARDWBPTSRR-LLVKDONJSA-N	246.181	4.840	0	10	BJAE	
C[C@@H](Nc1c(Cl)cccc1Cl)C1(C)CC1	83847736	NLZZXBWCPYOZTK-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
CCCN[C@H](c1cc(C)c(C)cc1C)[C@H](C)CC	86495545	LAWWUQHXCVPJSK-PXAZEXFGSA-N	247.426	4.699	0	10	BJAE	
Cc1cccc(NC[C@H]2CCC[C@H](C)C2)c1C	89604458	DDNILVCIYVZSLT-WFASDCNBSA-N	231.383	4.542	0	10	BJAE	
CCCCc1ccc([C@@H](N)C2(C)CCCC2)cc1	94899673	FYMDDHGACKTHIR-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(F)c(C)c1	103973296	NFKYFSDSHKLEAU-WCQYABFASA-N	237.362	4.761	0	10	BJAE	
CN[C@@H](c1ccc(C)cc1C)C1CCCCCC1	104018017	AWWYKDLVWQRUIQ-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1cccc(C)c1	109719287	FELRTBUERRGMNT-GDBMZVCRSA-N	233.399	4.601	0	10	BJAE	
CC[C@@H](NCc1ccc(C(C)(C)C)cc1)C(C)C	109929415	BSEOFNWWJIWCDP-MRXNPFEDSA-N	247.426	4.508	0	10	BJAE	
CCCCC[C@H](C[C@H](C)C(C)(C)C)NCC	125330839	JLHHJOKFFLDXCK-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](NC)C1CCCC1	133068580	RSTGWZBWIXCGEQ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@H]2CCC[C@H](C)CC2)c1	160143702	SAOPVHSNMUCCQI-LXZKKBNFSA-N	245.410	4.614	0	10	BJAE	
O=C(CCc1ccccc1)CC1CCCCCC1	164114234	REDFRGGRHBDBNR-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)c1cc(C)ccc1C	167288030	CJPARAGQTBQHCL-CXAGYDPISA-N	247.426	4.780	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](CC2CCCCC2)C1	203531382	HHBIKNMNFDTRMZ-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](CC)c1ccc(C)cc1	212709277	PXMWYXBRRMEOPA-SJORKVTESA-N	247.426	4.657	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC)[C@H](C)NCC	251391772	UGJVSOGHCCUUFH-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CC1(C)CCC(c2ccc(C(C)(C)N)cc2)CC1	258406981	VDEDIVXBPXWWDN-UHFFFAOYSA-N	245.410	4.564	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](C)CCC(C)(C)C	304428064	SAMGZNPKRBATKB-QWHCGFSZSA-N	227.436	4.616	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1CCNc2ccccc21	305907792	DJMVNWULDMZCLI-KBPBESRZSA-N	231.383	4.658	0	10	BJAE	
CCc1cc(N[C@H](C)CCC(C)C)ccc1C	305987317	ISKWNILOGIQCDW-CQSZACIVSA-N	233.399	4.794	0	10	BJAE	
Clc1ccc(CC2=CCCC2)c(Cl)c1	306605353	FXXDVECBLQYRQK-UHFFFAOYSA-N	227.134	4.646	0	10	BJAE	
CCC1CCC([C@H](N)[C@H](CC)CC(C)C)CC1	308106623	WFQYSXDPXNAQBM-GYTBAZASSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)c1sccc1Cl	309085161	WKDRBPXLWNCMPH-JTQLQIEISA-N	246.803	4.507	0	10	BJAE	
FC(F)c1cc(C(F)F)c2ccccc2c1	309224764	AYHUCOYXWCNGOD-UHFFFAOYSA-N	228.188	4.715	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@H](C)CC(C)C	309995380	SHWNDBGPMSNVCC-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CSC1(CNc2ccc(C(C)C)cc2)CCC1	310153117	JBWBVVPIRIICEZ-UHFFFAOYSA-N	249.423	4.508	0	10	BJAE	
C[C@H](CC1(O)CCCCCC1)C1CCCCC1	310334050	MGFKHAIPMBWWRH-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc2c(ccn2C[C@@H]2CCC[C@H](C)C2)c1	310786806	SZAVYPLRYKTQDC-DZGCQCFKSA-N	241.378	4.776	0	10	BJAE	
c1ccc(-c2ccccc2N[C@@H]2CC[C@H]3C[C@H]32)cc1	311901981	YGCQVMMXOCHLSA-YXJHDRRASA-N	249.357	4.564	0	10	BJAE	
O[C@]1(C2=CCCCCC2)CCCC12CCCCC2	313008433	NYJJJCVRXFQBGJ-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](Nc1ccccc1F)C1CCCC1	313399470	RNQAJVQRQVOEPB-AWEZNQCLSA-N	235.346	4.597	0	10	BJAE	
CNCC1(CCCC(C)C)CCC(C)(C)CC1	316857756	ILESYBSBSDQDFV-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CCCCCC(C)C)C1	383091941	CGVDJYGRRUGMFT-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCCC1(C)C	383182209	NCMMMSIAUKLPLG-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CN[C@H](CCCCCC(C)C)c1cccs1	383265004	MKNMTLKDZYCODF-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
Cc1c([C@@H](N)CC(C)(C)C)ccc2ccccc12	384668361	CNSKYSIJDCJQHO-INIZCTEOSA-N	241.378	4.584	0	10	BJAE	
C[C@@H](C/C=C/CCNC(C)(C)C)c1ccccc1	384850037	FOYVFCHWFSOHPS-LFAOLKIESA-N	245.410	4.515	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H]1CCCC[C@H]1C	384858162	NLEOPZNQNOVQJU-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1(CNC(C2CCC2)C2CCC2)CCCCC1	385082641	XHAQGLCPCYGBRT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C(C)(C)CC	385859885	ZJEMJHZTPIZERK-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)NC[C@H](C)[C@H](C)c1ccccc1C(C)C	386320163	KSEWMKAUKZNXKV-GJZGRUSLSA-N	247.426	4.548	0	10	BJAE	
C[C@@H](CC[C@H](O)c1ccccc1)C1CCCCC1	386447252	DDZJWMIZWPIDOK-YOEHRIQHSA-N	246.394	4.717	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1[C@H](O)c1ccc(C(C)C)cc1	387824671	MXJIBKGSXKMTDF-BRWVUGGUSA-N	246.394	4.526	0	10	BJAE	
Cc1cc(Cl)c(N[C@@H]2CC[C@H]2C)cc1Cl	389656802	ZEYYPDALXHWKFG-RDDDGLTNSA-N	244.165	4.512	0	10	BJAE	
Cc1ccc([C@@H](N)CC2CCC(C)CC2)cc1C	394113298	FAIRZZMDZFGZEQ-QOJXUVEWSA-N	245.410	4.520	0	10	BJAE	
CC1(CNCCCC2CCCC2)CCCCC1	394560114	HJTIBNOVFXAFDQ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCc1c(C)sc2ccc(C(F)F)cc12	396206165	ZVLXJWPZDNIIDG-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C[C@@H](C)C1CCC1	398614347	LOGNIOBEOYSLCJ-BMFZPTHFSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)CC2=CCCC2)cc1	401052506	XGKUBVPQUYWAQV-UHFFFAOYSA-N	242.362	4.667	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CCCC1CC1)NC	405706751	CUOBASSDDMRJNO-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](O)CCC(C)(C)C1CC1	406041065	TYAJBTIMXKYLAU-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1(CCC)CCC1	686925083	SZJFMYVBDUJVBL-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CC1(CNc2ccc(C3CC3)cc2)CCCCC1	690120916	UCPPLVJQFUOGHF-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
C/C(=C/Cl)CNc1ccc(C2CCC2)cc1	690152384	LUDJVLLKLRXZDO-LUAWRHEFSA-N	235.758	4.509	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1ccc(F)c(C)c1	691133603	FCTPAGIAURCAJV-CJNGLKHVSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1CCC(C)CC1	691178894	YQTBSFOIYVUQMC-KNIAUWFNSA-N	237.431	4.514	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@H](C)C1CCC1	692811729	LYIIQBKFKXORIT-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@]12CCCC[C@@H]1C2	693183342	NYYLTUHTINDQSY-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC23CCCC3)c(Cl)c1	694419663	RZCFAQVRWSXWLA-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
CCCCC[C@H](C)[C@H](CC(C)C)NCCC	695053333	MQYCUNJASSRXBP-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1C[C@@H](C)c2ccccc21	695101726	WOEKJMZUSKQMPF-WWGRRREGSA-N	245.410	4.649	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC2(CC2)C1)c1ccsc1	695710328	SHZSUESQMYEURY-UONOGXRCSA-N	249.423	4.512	0	10	BJAE	
CCC(C)(C)CC[C@H](CC1CCCCC1)NC	696549219	FZZLAHXAVURPJJ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1CCCCC1(C)C	697825047	DKYDIRZVSDOMGS-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCCNC[C@@]1(CCCC(C)(C)C)CC1(C)C	702218789	ZBPWMRGOAIBDQZ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(N)CCC2(CCCC2)CC1	704467315	XFBBEMLSTORZHU-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCCNc1ccc(C2CCC2)cc1	704868323	NZIOFBPSMGXLBY-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CC[C@H]1CCC[C@@]1(N)CC1CCC(C)(C)CC1	704892775	VTMPZNBUQIDIEL-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)[C@]23CCCC[C@H]2C3)c1	709122868	DXTNSVYAUBUKIG-DVOMOZLQSA-N	247.357	4.515	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2csc(C)c2)cc1	710708186	ATSBAVXPZSXOTI-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C1CCCC1)C1CCC1	711829738	AGNCRFDMMRVPOK-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CC(C)(CC[C@@H]1CC[C@H]2CCCC[C@@H]2N1)C1CC1	712348008	VFDTWGHIENSLQN-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCC1CCC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714425884	UMGNKADSEQAHLZ-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC/C=C/[C@H](C)Cc1ccc(CCC)cc1	714565527	GXZRNGUNBATWSC-OWNNVSBGSA-N	216.368	4.784	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)c1cccs1	718599763	IOPRQQSVMZKKLR-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](N)CCC(C)=C(C)C	718622797	DRWODFRDXGGABU-DLBZAZTESA-N	245.410	4.644	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCC(C)=C(C)C)[C@@H]1C	718653942	QZZXEMHUHLJKCI-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1CCCC12CCC2	718952522	ULZWBGYBOBWREZ-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C[C@@H]1CC12CC2	723184016	XMRQBVLOGBDLBR-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1CC(C)(C)C1)NC	723569569	ZJPSLXHBLKBBNN-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1CNc1cc(C)c(C)c(C)c1	1161621063	PPMVRBCMDQMLRW-UHFFFAOYSA-N	239.362	4.532	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC[C@@H]2CCC=CCCC2)CC1	1308547543	MKTFTCYHCHJVHA-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCCCCN(CC(C)C)C(CC)CC	1641939058	ZVRQGVBIEUTFTF-UHFFFAOYSA-N	227.436	4.713	0	10	BJAE	
CCC(C)=CCCC[C@@H](C)C(F)(F)F	1888065798	JYCHDXVDKUPRPS-SNVBAGLBSA-N	208.267	4.711	0	10	BJAE	
CC[C@@H](C)C(=O)CC=C(C)CCCC(C)C	1900899594	CHEWAKSDKYQLCC-CQSZACIVSA-N	224.388	4.764	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H](C)[C@@H](C)C(C)C	1901709382	NQCJEJTURGQLMM-CMPLNLGQSA-N	239.790	4.741	0	10	BJAE	
CC[C@@H]1CC[C@H](c2nc([C@H]3C[C@@H]3C)cs2)C1	1905264305	UGNBEKNGGWWXOH-USZNOCQGSA-N	235.396	4.560	0	10	BJAE	
CCC1CCC(C[C@@]2(C)CCC[C@]2(C)O)CC1	1909704389	CSKYSWNNLSSALE-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C=C(CNC1CC1)C1CCCCC1	1912115080	VPBCPSLOEBFVTA-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H](C)CCC(C)C	1919986403	HWTIKBDMNWHGLB-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1C=CCCCC1	1925765099	KFUYUHCMHXIKDJ-CABCVRRESA-N	236.399	4.908	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@@H]1C=CCCCC1	1925891826	KXJWJSGTVHSSAI-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCCC1)[C@H]1CC1(C)C	1925928858	ZJWPUJRCQRSFIK-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC(=O)c1cc2cccc(C)c2o1	1926146184	VFQVGYZFJUEVQN-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
CCCc1ccccc1CNCCC(CC)CC	1926172708	QXCWYWSVMUCOAO-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
Cc1cc(N[C@@H]2CCCc3ccsc32)cs1	1938569599	IPAIJCRTDBRXSK-GFCCVEGCSA-N	249.404	4.608	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1cscc1CC	1938814709	VVCQSNREVLNXPW-NSHDSACASA-N	238.396	4.710	0	10	BJAE	
CCCC(CCC)[C@@H](CC1CC(C)C1)NCC	1940682721	LNSZTLDDYKSJNZ-ZBCRRDGASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)[C@H](CC(C)C)C(C)C	1941263619	DBXSJMFHYUXTSD-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)C	1941265593	XAKUPXPUSSIGJF-YJNKXOJESA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@]12CCCC[C@H]1CCC2	1944223074	CHPAMLFZFDVTCF-YXWQFLTLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C[C@@H]1CCC[C@H]1C	1944835669	DORBBOOKNFEQAI-QXSJWSMHSA-N	239.447	4.602	0	10	BJAE	
c1cc2cc(NC3CC4(CCC4)C3)ccc2s1	1946634626	GVPFJDMKLFHIIV-UHFFFAOYSA-N	243.375	4.646	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CCCC2CCC2)CC1	1950925127	QOEYPSUUKOAUKD-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCC=CC[C@H](CCC)c1ccc(O)cc1C	1951309162	VYVQSAHWQIHLKW-AWEZNQCLSA-N	232.367	4.941	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)C1	1965989196	UYBXEMONNGORLX-CWRNSKLLSA-N	249.442	4.514	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)C1CC2(CCC2)C1	1968256274	LMBBIZVWYFVEDR-NSHDSACASA-N	249.785	4.721	0	10	BJAE	
CC(C)c1ccc(CN(C)[C@H](C)C(C)(C)C)cc1	1969039513	AWZGZKKKWMUAFC-CQSZACIVSA-N	247.426	4.676	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H]2CCC[C@H]2C1	1970682033	ZAEXLSMVJGSYDD-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(NC2CC(CC)(CC)C2)cc1C	1972023682	UTYBRBDOHWYBFU-UHFFFAOYSA-N	245.410	4.938	0	10	BJAE	
CCC1(CC)CC(NCCC2CC3(CCC3)C2)C1	1973742891	IBMWKCKKLZMDKO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)CCC1CC1	1975841404	FGNVSKNQLQFSQT-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC1(C)C(CC2CC(=C3CCC3)C2)C1(C)C	1985537467	WFUXFHWFODJTEZ-UHFFFAOYSA-N	218.384	4.949	0	10	BJAE	
CCCC[C@](C)(N)CCC(C(C)C)C(C)C	1988265428	XWRUYSILEHKGST-HNNXBMFYSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@H](CC)C(C)C	1988778240	MAEGZLMTAZTHLU-KFWWJZLASA-N	227.436	4.602	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1sccc1C	1995261714	HBNACCYSKQYSHC-YPMHNXCESA-N	239.428	4.663	0	10	BJAE	
Cc1cc(F)cc2c(C3CCCC3)coc12	1995499232	ZXUBOEMONAECTK-UHFFFAOYSA-N	218.271	4.538	0	10	BJAE	
CCCC(C)(C)[C@H](NC)[C@@H]1CCCC[C@H]1CC	1996612113	WBXBBAXSDXWENG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H]1[C@H]2CC[C@H]21	1997486693	ZBVZKKDDZVLJFS-ZSHCYNCHSA-N	237.431	4.514	0	10	BJAE	
CCCC1([C@H](CCCC2CCC2)NC)CCC1	2000334441	FFPWYBGZWDPGAO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](O)CC2(C)CCCC2)C1	2002972214	PXKRYVWYHFMKED-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@H]1CCCC(C)(C)C1	2002978387	HTCLTKFYWDSWPK-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCCC1(NC[C@@H]2CCCC(C)(C)C2)CCC1	2002993203	JBDQYLQHMYWMDF-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CCN[C@H](C)[C@H]1CCC[C@H](C)C1	2003019858	XXUKZGPASCIXRN-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCC(F)(F)CC[C@H]1CCCCCCC[C@H]1O	2003118865	TWNMDPHGAJAXDW-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C[C@@H]1CCC2(CC2)C1	2003217634	LKMJIJVWASAXJZ-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C(=O)CC2CCC3(CC2)CC3)cs1	2003288896	WQMYJWLUFMCUME-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@H](C)CC(C)(C)C)C1	2006671932	ZGBZNCGMCDDRFO-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@@H](O)C1(C)CCC(C)(C)CC1	2007698914	VKIKMDCTXZIXKJ-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](C=C1CCCCC1)NC	2007939134	DYUFXPHFBMXFKB-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CCC2(C)CC2)CC1	2009548883	ROBBKNFLRQSTAE-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H](CC)CCCC	2009599060	VKXXWRSNANACMT-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCC[C@@H](CCC(C)(F)F)NCCC	2009621074	AQXPUGAJJPAIMH-BPJJOFIESA-N	247.373	4.536	0	10	BJAE	
C/C=C/CCC[C@H](NC)C(C)(C)C1CCCC1	2009628237	MUEMJFFRGLUXJW-NFAHFFEMSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H](C)C1CCC1	2009629518	SUIUFXBOYKYCGG-CQPIPWFBSA-N	237.431	4.537	0	10	BJAE	
CCCC1CC(N[C@H](CC)C2CCCCC2)C1	2009718023	ROJJUHNTDCLFQU-AVVWSFFYSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CC(C(C)C)C(C)C	2015278115	LTXJGOTYVZLWLN-HNNXBMFYSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(CC[C@@](C)(O)CC(C)(C)C)C(C)C	2015332667	IVLDGWXAHXRQOB-MRXNPFEDSA-N	242.447	4.882	0	10	BJAE	
CCCN[C@@H](CCC1(CC)CCC1)CC(C)C	2015596732	UQPWQAGPWYWTHH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@]2(C)C[C@@H]2C)cc1	2016411637	NBVWYEFJMKAUPU-HEHGZKQESA-N	232.367	4.625	0	10	BJAE	
CCCCC[C@@H](NCC)C1(C(C)(C)C)CCC1	2017139456	VQTPOHSFAOVPKF-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(C[C@H](O)C[C@H](C)CC)CC1	2017651536	VMMQJEPONPAZMC-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CC[C@H](C)C2)CC1	2017765102	HJCXHDWKJMUNCN-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@H]2CC[C@H](C)CC2)C1	2017773676	DLHLBSMAOSMVGK-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C[C@H](C)CC)CC1	2017776484	PKDNZWXMFQTMMT-RBSFLKMASA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@](O)(CC)C1C[C@@H](C)C[C@H](C)C1	2018133005	ZAJODEIXUYKFJQ-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC1CC(C)(C)C1	2018185762	SJHNKYXFNMCWEM-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCC1(C[C@H](NCC)C(C)(C)C(C)C)CC1	2018997615	QCWVIQKTSOVZBO-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1(CC)CC1)NCC	2018999781	MRWQYGLEPUWWDN-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCCN1CCC12CCCCCC2	2019327707	JHHGXRRSKAAECM-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC1CCN(CCCCCC(C)C)CC1	2019343176	WSWLRRPBCOZKHZ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@@H]1C=CCCCC1	2019506252	UJFCROWVMJKTIN-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@](C)(CCC)CNC(C)C	2022503123	WAZSHQLDTKZJOY-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(N)(CC=C2CCC2)CC1	2023258264	KEYDRIQJBKTVLA-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CC(C)=CCC(=O)C[C@@]1(C)CCCCC1(F)F	2023336002	LJPRHISFXNIALC-CYBMUJFWSA-N	244.325	4.518	0	10	BJAE	
CC[C@H](C)CCN(C)C[C@H]1CCCC(C)(C)C1	2024097263	GGOIBFWNHVBZBH-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C1CC(C(C)C)C1	2026172890	YQPOOSMDMFRSBN-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)c1ccc(C2CC2)cc1	2029822178	AMHRNOVCRNLXER-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
O=C(CC1[C@@H]2CCCC[C@@H]12)C1CCCCCCC1	2032774490	GJKPUUFSZZZMLK-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2033569921	HWCFNBYKSDCGHW-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
OC1(C2=CCCCCCC2)CC(C2CCCC2)C1	2033776073	QSACFSOKVLYILA-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2C=CCC2)CCCC[C@@H]1C	2035590607	KRPVAQYSUOJWHD-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C[C@@H]1C=CCCC1	2035603828	WZPHSWFMSHKDGU-NVXWUHKLSA-N	247.426	4.601	0	10	BJAE	
CC1(CC2(N)C[C@@H]3CCCCC[C@H]3C2)CCCC1	2035857635	DMTRCZZVNSYDIW-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@@H]1CC12CCCC2	2036099621	ZHUXXYWKAURGGS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)C1CC2(CC2)C1	2036200697	SEFDSXKDHFOTQA-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1)C1CCCC1	2036664313	JOBXYLIUTDTUKW-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(CC2CC=CC2)CC1	2037140577	XXEGYNVCIVMLHE-NVXWUHKLSA-N	249.442	4.667	0	10	BJAE	
CCc1ccc([C@](N)(CC)CCC=C(C)C)cc1	2037147290	VGMPPBQLPLOASF-KRWDZBQOSA-N	245.410	4.559	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CC2CCC=CCC2)C1	2037203316	FIQLDJMSZQLQHM-BHYGNILZSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@](N)([C@H]2CCC3(CCCC3)C2)[C@@H]1C	2037580242	KGBXLGJPIKQISD-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2CC3(CCC3)C2)CC1	2039384268	HJKFEZNAYKTMOT-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC12CCC(CC1)C2	2039422715	WYKSVOGZJLUHHI-KRIMKBQASA-N	248.410	4.742	0	10	BJAE	
C[C@](O)(C1=CCCCCCC1)C12CCC(CC1)C2	2039858738	DIVQJUCOBUOMSL-WIHSUSGWSA-N	248.410	4.598	0	10	BJAE	
CC1CCC2(CC1)CC(N)(C[C@@H]1CC[C@@H](C)C1)C2	2040175526	JMUWKAFBEMKHJZ-FVROTGDOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@H]1CCCC2(CCC2)C1)C1CCCCC1	2041289026	FICGBOSIEPUEHX-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)C1CC(C(C)(C)C)C1	2043001788	JYDCNWBLCRQSCD-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CCC(C)CC1)[C@H]1C=CCCC1	2043188604	VBDRAZUOAGXQRT-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)[C@H]1C=CCCC1	2043194485	MXKGYVHHVBIZJE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@H]1CCCC12CC2	2045308382	UBNUFYJWKJTYJA-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@H]2CCC=CCCC2)C1	2045314046	GEUXFQRGMPZFQG-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CC2CC3(CCC3)C2)C1	2045507718	RJSVBEYICQGHJP-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](N2CCCC3(CCCCC3)C2)C1	2045523179	VTIFYADAZBNJGS-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCCC1([C@H](NC)c2cc(C)ccc2C)CCC1	2045733926	WVZZBLRWMOSJEU-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@@H]2CC23CCCC3)C1	2047061973	JYPVBRNEPZNLIM-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(NC[C@@]2(C)CC=CCC2)c(C)c1	2047725288	AUFLDGHHSCIACP-KRWDZBQOSA-N	243.394	4.770	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1[C@H]2CCCC[C@H]21	2048386520	CDIFUNOVOWTHEZ-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@@H]1C(C)=CCC[C@@H]1C	2048876920	KIPWZJFMHORCEH-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
NCC[C@@H]1CCC[C@@H](CC2CCC3(CC2)CC3)C1	2049852775	CMSRQUGLJVHNII-GOEBONIOSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@@]12C=C[C@@H](CC1)C2	2049997027	KWOQETDGPVGXSJ-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)C2CC(CC3CC3)C2)CCCCC1	2050218536	AANOAKIGYKVVDD-GPANFISMSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](O)CCC2(C)CCCCC2)cc1	2050428110	DIOCEFVOOSLPSB-INIZCTEOSA-N	246.394	4.779	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H]1CCC12CCC2	2051404520	RTTVUEKZLATVPY-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(CN[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCCC1	2052512766	LJALMLWZARVVMP-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCC(C)=C1C)C1CCCC1	2055550153	RDOCVMDDRYYCSO-IAGOWNOFSA-N	249.442	4.824	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCC[C@@H](C(C)C)CC2)CCC1	2055550755	UXOBNVCAJTWBGI-IXDOHACOSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)C1(C)CCC2(CC2)CC1	2056551448	FLXHUFCVNIJGIE-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CNCC1(CCCC2(C)CC2)CCC2(CC2)CC1	2056559060	OFIRNIVMIZDQHQ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC(C(=O)CC2CC(C3CC3)C2)CC1	2056666578	SQSPJZPWBXFKRN-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC=C(C)[C@H](NCCC)c1ccccc1CCC	2056780427	QKHHYHBAMGSMGK-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
N[C@H](C1CCCCCCC1)C1CC(C2CCC2)C1	2057488295	IFACOXNEXIKLKR-OFLPRAFFSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1[C@H]2CCCCC[C@H]12	2059250077	NGAYHSQVLLMXPW-CRIKOPJCSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1ccc(C)c(C)c1	2059254254	YBBDIKCSEYWBJR-QQOXCAACSA-N	245.410	4.700	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C(C)(C)C)CC1)C1(C)CC1	2061095172	LGKGNAPQNREEMM-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC(N[C@H]2CCCCCC23CC3)C[C@H](C)C1	2062018249	RBNZKXSPWHZKRX-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CCC[C@@H]2C[C@@H]2C)cc1	2062618971	HHJOUJNDUYBEFU-XKQJLSEDSA-N	245.410	4.636	0	10	BJAE	
Cc1cc(C)c(C(=O)CCC[C@H]2C[C@H]2C)c(C)c1	2062637295	ILRSUNVEFKHQGC-DOMZBBRYSA-N	244.378	4.621	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)CCCC12CCCCC2	2062645949	IYMZOJCWFMBSMC-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
N[C@H](C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCCC1	2063476861	MSCYDUFYIFMAEF-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063480162	JEGCOVCQBJYCCP-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
NC[C@@H](CC12CCC(CC1)C2)C1CCCCCC1	2065330166	YWLDBJBJJYRSFP-ARWYELJZSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC12CCC2)C1(CCC)CC1	2069192318	FASLOCGYXJNEIM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC1(CC[C@H](NCC)c2ccco2)CCC1	2069341836	JDVAHJLDFAAJJJ-AWEZNQCLSA-N	249.398	4.681	0	10	BJAE	
C[C@H]1CC(C(=O)C2(CC3CCC3)CC2)C[C@H](C)C1	2069581987	WVTVNMPHUKQCKL-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@@H](C)C2CC=CC2)C1	2070819886	JJFGHWWMHJSWSR-ZOBUZTSGSA-N	249.442	4.536	0	10	BJAE	
CC1CCC(N2CCCCC23CCCCC3)CC1	2075114867	RUVZKBKUGOUXDH-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1Nc1ccccc1C1CC1	2077262855	YQPBYEZBCVHJPJ-MLGOLLRUSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@H]1C[C@H]1CCC	2079438178	GPBSGKNZLZCMPI-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1C[C@H]1C1CCCCCC1	2079528866	KMFJIXCKLOJPNA-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)C1(C)CCC2(CC2)CC1	2079634177	RTAUHIFVZYAWSF-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2C[C@H]2C2CCCC2)CCCC1	2079830860	HERKPCGUODLFFJ-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC1CC(C2CCC2)C1	2081787977	XIJSUCBMMXQSTP-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@H]1C[C@H]1C=CCCCC1	2082215503	QIOIUPHLCCMJBN-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCCC(C)(C)C2)=C[C@@H](N)C1	2082987969	SOEDDYLFBMNSRT-DZGCQCFKSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)CC1CC2(C1)CC1(CCC1)C2	2083612524	BDBNQUHFBCRDCU-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@](C)(N)CC1CC2(C1)CC1(CCC1)C2	2083617791	RCJGOCNPSMBCLQ-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
Cc1sc(C(=O)[C@@H](C)CC(C)C)c(C)c1C	2211699853	CKDWHPABTDUTIP-VIFPVBQESA-N	238.396	4.538	0	10	BJAE	
CC(C)CC(=O)CC[C@H]1C[C@H]2CCC[C@H](C2)C1	2213279988	NOCBSTUJADBVGF-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)NCCCCCCC1CC1	2213571737	MNKGLNCQRCUTDP-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCNC[C@@](C)(CC)CCCCCCC1CC1	2213576500	QIBGUKVTNZDQNA-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC1(CNCCCCCCC2CC2)CCC1	2213583944	XWNWGGFPOXBLRH-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
Cc1csc(C(=O)C2(CC3CCC3)CC2)c1C	2213628600	GBQGGOLKLAGZQM-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)c2scc(C)c2C)CC1	2213643621	YKCUBDLEDUZRER-GXTWGEPZSA-N	249.423	4.501	0	10	BJAE	
Fc1cc(Cl)cc(CC=Cc2ccccc2)c1	2213822496	JVBYZSNPWMJYNV-UHFFFAOYSA-N	246.712	4.735	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H]2CC[C@H]2C)CC1	2215107750	CPOYWAJANGJJSJ-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@H]1CCCCCCCC[C@H]1O	2215233835	RBQMIAVNHJRNKT-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](CC)(CC[C@H]1C[C@@H]1C)CNCC	2215242712	DOJVCITXSPVKBF-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@@H]1CCC[C@@H](C)CC1	2215336644	YJFOUIRZUOXVAJ-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCNCC(CC)(CC)CC1(C)CC(C)(C)C1	2215396968	YMYNSRQWGIHZJF-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@](C)(CNCC)CC1(C)CC(C)(C)C1	2215398787	PIWRPOPOKJKNBK-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)CC(F)(F)CC	2217127001	GINLBOOCJGYNFI-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCCCC[C@@](C)(CN[C@H](C)CC)C1CC1	2217144084	CRBTTYLMJSEJKO-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)C[C@@H](C)C(C)(C)C	2217150658	NRJUHUGWHSCQBC-IJEWVQPXSA-N	241.463	4.863	0	10	BJAE	
C1=C[C@@H](CNCCCCCCCC2CC2)CCC1	2223119533	OMOJUHNLWMBFFO-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CN[C@H]2CCC[C@@H]12	2223130541	NSFLXTJHZHRFHG-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)c1cccc2ccoc12	2224156175	JBNWSUDTJJCVIA-SWLSCSKDSA-N	245.366	4.505	0	10	BJAE	
CCCC[C@](C)(N)CCCCC[C@H]1C[C@H]1C	2243907598	JDRDGJLKLIKMJL-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@@H](C(=O)CC1(C)CC(C)C1)C(C)C	2246558449	PETFOACBYLLBQM-NPCAHTBFSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)C[C@H](O)CC[C@H]1CCCCC12CC2	2246630832	RACKNMDAZJRUEK-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC[C@](C)(N)C1CCCCC1	2247162885	IRWWONZJSLAABQ-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1CCC1(C)C	2247445773	RXSRCSFYRGMONH-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
O[C@H](C1=CCCCCC1)c1csc(C2CC2)c1	2248053218	CDKAXLMUKPNPBU-OAHLLOKOSA-N	248.391	4.549	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)c1ccc(C2CCC2)s1	2250279353	RORDOKFVMFHKNX-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC[C@@H]1C[C@@H]1C)NCC	2250351400	CLWZLJVPZAMXLE-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)[C@H]1CCC2(CCCC2)C1	2250378882	AXICJKNGCYZFAS-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1C[C@H](C)CC1=O	2250490206	GQMTVXOUOHYTKS-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CC3(CCCC3)C2)C1=O	2254077195	AAMPOGKMLTYIDK-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C(=O)CCCC[C@H]2C[C@H]2C)c1C	2254586846	DFOVPUHMWFESKW-HIFRSBDPSA-N	244.378	4.703	0	10	BJAE	
Cc1cc(F)cc(NCCCCC[C@H]2C[C@H]2C)c1	2257322097	LIWIVXUPYQEDKE-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
CC1=C(C)[C@H](NCCCCC[C@@H]2C[C@H]2C)CCC1	2257340114	MBMFYSJDJMZPCI-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC1CC(CNc2cc(C3CC3)ccc2F)C1	2259119852	DNMOQXLABDYOCN-UHFFFAOYSA-N	247.357	4.551	0	10	BJAE	
CCCCN(C[C@]12CCC[C@H]1CC2)C1CCCC1	2260574932	PXZIWAWOJJMRDN-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
N[C@H](CC[C@]12CCC[C@H]1CC2)CC1CCCCC1	2260611779	WFJVPWYATQXWEK-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@]23CCC[C@H]2CC3)CC1	2260655927	DURLJVZGOFHGPH-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CC[C@@H]1C[C@@H]1C)NC	2298127333	WNMUCOZDXGREBI-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@H]1C[C@@H]1C(C)(C)C	2300473734	BLEWNVCUHSATSQ-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1[C@H](CNc2cc(C3CC3)ccc2Cl)[C@@H]1C	2300671176	FGLGULIKGXTIQG-DDFAGTSDSA-N	249.785	4.531	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)c1ccoc1	2300680489	FBODQNSHAQJKBM-OAHLLOKOSA-N	237.387	4.537	0	10	BJAE	
CCC(CC)CCCC(=O)c1cccc(C)c1	2300686017	LKJRXVIUHAMEIL-UHFFFAOYSA-N	232.367	4.784	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)[C@H]1CCC[C@@H](C)C1	2300689547	ZEMMLCJNKUPPIH-VNQPRFMTSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CCC[C@@](C)(O)c1ccccc1	2300697195	LVWZCBRBRDRPMX-MRXNPFEDSA-N	234.383	4.501	0	10	BJAE	
CC(=CCN[C@@H]1CCC[C@H]1C)CCCC(C)C	2300865097	JFUCMWBSSMXUJW-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](C)(C(=O)CC1CCCCCC1)C(F)F	2301139691	IQHYURZCXICLBJ-AWEZNQCLSA-N	246.341	4.597	0	10	BJAE	
CC1CC(CC[C@@H](N)CC2CCCCCC2)C1	2301236068	JGPDWRQNSOWXEZ-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CCCCCC1CC1	2302611733	DVRSYCYAMWMOQU-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@@H](C[C@]2(N)CCCC(C)(C)C2)C1	2302691570	RYRZZPMPVLCLOM-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCc1cscc1N[C@@H]1CCCC[C@H]1C1CC1	2302889018	FXTDRCGTFHPETM-UONOGXRCSA-N	249.423	4.691	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CCC(C)(C)C1)C(C)C	2302901207	HFSCWPHUZCLACA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(=O)C[C@@H]1CC[C@@H]1C(C)(C)C)C(C)C	2303472799	CMIKQDLDYVKKIL-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
CCCC(C)(C)c1nc([C@]23CCC[C@@H]2C3)cs1	2307702594	XDSDPWGBWKLROO-ABAIWWIYSA-N	249.423	4.662	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCC[C@@H]1CNCC	2307827130	UWJYYWPUGYBUCZ-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)C1(C)CC(C)(C)C1	2307895190	PGOFYOFXIKUMFO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CC(C)(C)C[C@H]1NCC	2307903500	OVDLXBXMRCOYLD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C12CCC(CC1)CC2	2307908844	ROOBLSSKPBRRQS-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@H]2CCC[C@@H]3C[C@H]23)C1	2309962962	DHQJGGVDDHFOOR-JRBZFYFNSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@]12CCCC[C@@H]1CC2	2313312703	WDUZOUYFWCGDJU-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CC([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313333707	ODROEODWPDLKAE-QLOXVCQLSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(C(=O)C(CC2CC2)CC2CC2)C1	2313635942	ZCEBWUZEPZANQF-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(C(=O)C2(CC)CCCC2)ccc1C	2314696274	CGZYUCLUZFAAFX-UHFFFAOYSA-N	244.378	4.711	0	10	BJAE	
CCC(C)=CC[C@]1(CNC2CC2)CCC[C@@H](C)C1	2316489125	DDJCTJNLXUHYTE-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
N[C@]1(CC2CCCCCC2)CCCC2(CCC2)C1	2316869405	HHZLDEJETKGGNV-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@H]3C=C[C@H]2CCC3)CCCC1	2317154105	CKRKDBOUGDUPAR-RBSFLKMASA-N	246.394	4.518	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317213604	IGGNOIWUSJJMMA-ZJIFWQFVSA-N	248.410	4.620	0	10	BJAE	
CC(C)c1ccc(F)cc1NCC1(C)CC=CC1	2317930928	AJOOIQLAAJIUJV-UHFFFAOYSA-N	247.357	4.717	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@@H]2CC[C@@H]2C(C)(C)C)C1	2320246482	JLMIRCCIVCXFAM-WBTNSWJXSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)[C@@H]2CCC(C)(C)C2)CC1	2320334387	OQJFSGCLABKDDH-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CC2(O)CC3(CCCC3)C2)CC1	2320334653	QZCOSEUNAAVSIV-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CCC1([C@H](N)C[C@H]2CCC(C)=C(C)C2)CCCC1	2320416376	JTFFTHJZCUWLSU-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CCc1cc(F)cc(NC2CCC(CC)CC2)c1	2321076605	HJJSDBGPOAXXIM-UHFFFAOYSA-N	249.373	4.769	0	10	BJAE	
C[C@H](NCC[C@@H]1CCC(C)(C)C1)c1ccccc1	2321536396	AYUYCXDYZKDNNM-GJZGRUSLSA-N	245.410	4.554	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)c1cc(C)ccc1C(C)C	2327696795	IOCSZQNOPWXYEY-KRWDZBQOSA-N	248.410	4.762	0	10	BJAE	
CC(C)CCCCCCN[C@@H]1CCC[C@H](C)C1	20019380	MUCJCXRZSXKDQT-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccccc2F)c(C)c1	21798645	VSYJFXTZXZLUSQ-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)c1cc(C)ccc1C	35489545	JBHQLAYWNAHODA-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
CCC(CC)[C@@H](NC)c1csc2ccccc12	35499867	JJMZQGOHYKBVOF-OAHLLOKOSA-N	247.407	4.598	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)[C@@H](C)CC	36820040	FIBIBHRJNCDFIT-XJKSGUPXSA-N	233.399	4.507	0	10	BJAE	
CCCCCC[C@@H](C)n1c(C)ccc1C	70130785	DEQIHVRZBDKXJQ-GFCCVEGCSA-N	207.361	4.636	0	10	BJAE	
CCCCCC[C@@H](CC1CCCC1)NCCC	78821293	QQBOWGAZFRNGJZ-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCN[C@H](C)CC(C)(C)[C@@H]1CCC[C@H](CC)C1	84417167	UTSAFWIIEORJDZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC	85156682	OXECGFKRUDXGCJ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@@H]2CCc3ccccc3N2)CC1	86668923	FDGWTHASMTZZPY-PGEKIEPBSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC2CCCCC2)CC1	86897509	AJWYCQBHGHHUQD-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C(=O)c1ccc(C(C)(C)CC)cc1	90482225	GESSLZXFTOIZQT-LBPRGKRZSA-N	232.367	4.603	0	10	BJAE	
CC(C)c1ccccc1OC/C(Cl)=C/Cl	92026238	FPFDNOGDWNOZGQ-YFHOEESVSA-N	245.149	4.508	0	10	BJAE	
Cc1ccc(C=O)cc1-c1ccc(C(C)C)cc1	97917496	JNZDYMGSNQWAGD-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CC/C=C\C[C@H](C)c1ccc(Cl)cc1	107561808	GGBKBHJVMHWIDA-WYGGZMRJSA-N	208.732	4.800	0	10	BJAE	
C/C=C\C[C@H](CC)c1ccc(OCC)cc1	107572047	ONNMHHIYLPICDR-IRBQFCFKSA-N	218.340	4.545	0	10	BJAE	
CCC(=O)CC[C@H](CC)c1ccc(Cl)s1	107595722	YPQWIRMJRXQEHJ-VIFPVBQESA-N	244.787	4.654	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](CC)c1ccco1	109759737	CFBRISZQUFXTKX-UONOGXRCSA-N	237.387	4.537	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CCCC[C@H]2CC)cc1	111745915	WWSWKIBXLBTFDJ-GDBMZVCRSA-N	244.378	4.648	0	10	BJAE	
CCCCC[C@H](O)C(CC)(CC)c1ccccc1	111762015	WQMICGPCATZVMU-INIZCTEOSA-N	248.410	4.686	0	10	BJAE	
CCCCCC(=O)c1cc2cc(C)ccc2o1	125784587	PFSQDZICNGMRPZ-UHFFFAOYSA-N	230.307	4.504	0	10	BJAE	
CCc1ccc([C@H](NC)C(CC)CC)cc1CC	127983305	LIWTZMMCHBAUEJ-QGZVFWFLSA-N	247.426	4.508	0	10	BJAE	
CC[C@@H]1CC[C@@H](c2nc(C(C)(C)C)cs2)C1	131910691	XLEQEBOOVADYGW-GHMZBOCLSA-N	237.412	4.734	0	10	BJAE	
CC[C@H]1CC[C@@H](c2ncc(C(C)C)s2)C1	132169928	HYRIIIAGUGGKOA-WDEREUQCSA-N	223.385	4.560	0	10	BJAE	
CC(C)CCC[C@H](N)CC1CCCCCC1	133536788	DEJWYIYCADTUJA-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](CC1CCCCC1)NCC	158438780	PVSABORQVOHILY-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CN[C@H](CC1CCCCC1)c1cccc(C)c1C	160978805	ATNIKIDBTCCCNJ-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCCCC[C@@H](O)c1cc(Cl)ccc1C	168250816	OJGGXWJFTDTYQM-CQSZACIVSA-N	240.774	4.652	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](CC2CCCCC2)C1	203295351	KEBLRMJIJYBTOC-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H]1CCCC1(C)C	226564342	LNGPXQCSTOVBRU-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@H](C)NCC(C)(C)C(C)C)c(C)c1	232764781	OLGJUQZDMCBDQV-HNNXBMFYSA-N	247.426	4.636	0	10	BJAE	
CCCCC[C@@H](C)Nc1cc(F)c(C)cc1F	232974568	PVPVGYARWPOJTG-LLVKDONJSA-N	241.325	4.654	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CCS[C@@H]2C)cc1	234012427	SKQHNUIQCURROB-YWPYICTPSA-N	249.423	4.506	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2=CCCCC2)c(F)c1	235819926	BPXLDQKZYMMSGJ-UHFFFAOYSA-N	246.325	4.516	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCC[C@H]1CC	252416076	SBTPZKXQBQETJJ-ARFHVFGLSA-N	239.447	4.904	0	10	BJAE	
CN[C@H](CCC(C)(C)C)c1cc(C)c(C)cc1C	302371396	ZCOPNKCIYPGBOR-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CCNCC1(CCCC(C)(C)C)CCCCC1	302375914	ZSTYRSIMZHUFKF-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CC(C)C)CC(C)C	305966442	PFKYHVSHLZTWKD-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@@H]1CCCCC1(C)C	305974193	ZMCYIVUUEFYGNJ-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CSc1c(Cl)ccc2sc(C)cc12	306869662	SJGSLDWMZUJYMS-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@@H](C)C(C)(C)C)C1	310110040	FCWCWWOARKYCAH-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CC1CCC(N)(C[C@H](C)C2CCCCC2)CC1	310519279	WEOCMZMEGPXBLF-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)C1CCCCC1)C1CC1	310590066	YSIALRLIKRFJHG-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)c1ccc(C)cc1C	311188387	CRZQWQYGTGHQKS-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCC[C@@](O)(C[C@@H](C)CC(C)C)C1CCCC1	313440881	ZRRGBGAMCCNCAA-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)C[C@H](C)CC(C)C	379637404	RAKLDKKLIRMCCA-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Oc1ccc(C)c(C)c1	379883531	WDKISTRLDCMELE-ZBFHGGJFSA-N	232.367	4.651	0	10	BJAE	
Cc1cccc(C[C@H](O)CCCCCC(C)C)c1	383597021	YUBSINBWJDHZJM-QGZVFWFLSA-N	248.410	4.505	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)C(C)(C)CC	383665630	KOPZMHCFASTVDO-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)c1cocc1C	385533832	USLZUXWKKSYCGS-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CC(C)CC[C@@H](N[C@H]1CC12CCCCC2)C1CC1	387285458	NLMRXYSQPJZLHY-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@@H]1C[C@H]1CC(C)C	387963989	DSGCTGKNZMGGRI-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
C/C(=C/CCNC(C)C)C[C@H](C)c1ccccc1	395002087	GDDUPZNLHPNANR-TYWAAFNRSA-N	245.410	4.515	0	10	BJAE	
CCC[C@@H](Nc1cc(C)cc(F)c1)[C@@H]1CC1(C)C	397771929	MZMYNXANSDLOMN-LSDHHAIUSA-N	249.373	4.761	0	10	BJAE	
C1=C(Cc2cccc(C3CCC3)c2)CCC1	401135668	YSANPRQOIWNWQW-UHFFFAOYSA-N	212.336	4.607	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCCCC(F)F	688777288	GAZLETSQBTZWEU-UHFFFAOYSA-N	242.309	4.543	0	10	BJAE	
CC1(C)CC[C@H](Nc2cccc(C3CC3)c2)C1	690152325	KEKDJKIRGVWASF-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1CCCCC[C@H]1CC	691096616	BQAYVEYWHPEROH-IMJJTQAJSA-N	239.447	4.760	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@@H]3C[C@H]32)cc1Cl	691263074	AIIOGGFOFWJGFZ-UXIGCNINSA-N	249.785	4.503	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@H]1CC2CCC1CC2	691662935	ZUPOUQIFAGADJQ-CVSAEHQPSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCCC(C)(C)C1	696804682	ACMGKYDFAFMBMO-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1ccc(CC)cc1	697771409	UFIAVYYVVJQDLX-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CCCC(F)F)CC1	699922497	IEEWWQRCGFKOBJ-TZMCWYRMSA-N	248.357	4.533	0	10	BJAE	
Cc1ccc(NCCCCC(C)C)c(Cl)c1	703987266	PJRWLLCPEVHIJG-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CCC[C@@](N)(CCCC(C)(C)C)[C@H]1CC1(C)C	704473354	JPQOPERLXUYHES-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CCC1CCCCC1	704930031	QTPAGTKXVZPCFI-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CC[C@H]2CCC[C@@H]21	707752570	AVLHILYIDATLCV-HYVNUMGLSA-N	241.378	4.555	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H](C)CC(C)C)c1C	709133489	ZCACBSJKTXMZOS-ZDUSSCGKSA-N	246.394	4.785	0	10	BJAE	
CCN[C@H](CC1CCCC1)C12CCC(CC1)CC2	710320155	DWVIUTDOCZBXOU-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@](C)(C[C@H](C)C(C)(C)C)C(C)C	711176690	SNGZKUVLWQCYCS-GOEBONIOSA-N	241.463	4.721	0	10	BJAE	
c1cc(N[C@@H]2C[C@H]3CCCC[C@H]32)cc(C2CC2)c1	712500297	CEUYBJPJIMQPLL-DJIMGWMZSA-N	241.378	4.555	0	10	BJAE	
CCCCC1CCC(N)(CC(C)(C)C)CC1	713213991	WIOWPXIGNSPTQP-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC(C)C)CCC[C@@H]1C	713345390	AKZYQUOGJXJLDJ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)c1ccccc1	718510463	AAPFHVMBDCMJGJ-QGZVFWFLSA-N	245.410	4.864	0	10	BJAE	
CC(C)=C(C)CCC[C@H](C)CC(F)F	718714820	HGXZRSZZQQHWIF-JTQLQIEISA-N	204.304	4.804	0	10	BJAE	
CCC(CC)C[C@]1(O)CC[C@@H]2CCCC[C@@H]2C1	723649605	ZULMZCHGMATEQD-ARFHVFGLSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](NCC)c1c(C)csc1C	724961899	JHJZQGHILOLYBA-CYBMUJFWSA-N	239.428	4.596	0	10	BJAE	
Cc1cc(-c2ccc(C(C)(C)C)c(N)c2)cs1	725345641	BZHFYJIGFPVEFF-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
CCCC1CCC(CNCCC=C(C)C)CC1	1620900244	FYLXLYDFPGWKFK-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCCN(C[C@@H](C)CC(C)(C)C)CC1	1653361006	YHOLVAZTZBVFSD-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCC[C@](C)(O)[C@H](C)CCC(C)C	1900584997	ZRVWHBGCJBEMSK-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
Cc1cc(-c2ccc3c(c2)CCCC3)cs1	1901897511	XKHFEXMEZCBOGF-UHFFFAOYSA-N	228.360	4.602	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H](CC)CCC	1905434655	LMAMFLLUSGLDBS-QLFBSQMISA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)CC1(C)CCCC1	1905452402	CRIPUWNKZQOXJW-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
C=CC=CCCC[C@H]1CC2CCC1CC2	1911779278	YIUREMUUMWUIEE-NRXISQOPSA-N	204.357	4.725	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCC2(CCCC2)C1	1916406419	OWJDIEONMDHSHW-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CC=CC[C@]1(CNCC(C)C)CCCC12CCC2	1921658191	TVMLDPHBKCYFLA-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NC1C[C@H]2CCC[C@H](C1)C2	1923480268	LOGIHHXNWZPANQ-JKQORVJESA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@H](C)C1CCCC1	1924077156	ZCCDLSFLYMKLEP-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@@H]2[C@@H](CN)CCC23CCC3)CCCCC1	1924813058	JYBBPJXXSKVXHP-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)C[C@@H](C)CCC	1925120739	VAOBAYZMBBHJDV-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NC[C@H]2C=CCCCC2)C1	1925819513	LJNKEPSZBLIAOM-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCNC(C)(C)CC(C)(C)C	1926116458	ZDBSUTYEZOBLMO-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCCc1ccc([C@@H](CC(CC)CC)NC)cc1	1926390781	VCGPBMIDIVUURZ-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(O)CC1(C)CCCCC1	1940411519	YNUCJZXZKHYOCE-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(NCCCC2(C)CC2)cc1C	1940881674	GQSZDBICIBDPDA-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CCC(C)(C)C1CC1	1941248018	KIARBEQRMBPNPX-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](N)CCCCCC1CC1	1941584733	BMBBOYXKDJDJBL-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC1CCC=CCC1	1941792587	HMGZTYKWVSERFX-CYBMUJFWSA-N	236.399	4.764	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)C[C@H](C)CC(C)(C)C	1942653784	ULMNBNOPWZXCRJ-SOUVJXGZSA-N	242.447	4.882	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)[C@@H](C)CC(C)C	1948327990	RQPDIOLMNNHQMN-HOTGVXAUSA-N	241.463	4.993	0	10	BJAE	
CC[C@@H](NC1CC2(CCCC2)C1)c1cccs1	1948472622	GLRRSPQYLFUFPL-CYBMUJFWSA-N	249.423	4.512	0	10	BJAE	
C[C@@H](C[C@H](N)[C@H](C)C(C)(C)C)C1CCCCC1	1948935139	SWQQFBRMTJUFON-YDHLFZDLSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC(C)(C)CC(F)F	1949014447	DSACLJUGASPXTB-BXUZGUMPSA-N	249.389	4.602	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](O)CC2CCCCCC2)C1	1949421118	KOXACDUBVDLNQZ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@H]1CNC2(CCCC2)C1	1949543542	KXEJSPNHLWHUFE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(CCCC[C@H](O)CC2CCCCC2)CC1	1949912885	POFYYEHLPLWPRB-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C[C@H]1C[C@H]2C[C@H]2C1	1950167423	HJZQFDVQLWJPLC-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](N[C@H]1CC[C@@H](C(C)C)C1)c1ccccc1	1963312955	DPIVHGKIVRLKLC-IXDOHACOSA-N	245.410	4.552	0	10	BJAE	
CCc1cccc(N[C@@H]2CCCCC23CCC3)c1	1968340240	VGSIGQUCJTULGH-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
Cc1cc(F)ccc1NC1CC(C)(C)C(C)(C)C1	1968360931	ATSURBLVLOPMFY-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2C[C@@H]3CCCC[C@@H]3C2)C1	1970280854	LAXDDIDGDHENBH-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC2(CCCCC2)C1)C1CC1	1971145944	XVZDLOVRCNPDFU-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCc1ccc([C@H](C)NC[C@H](CC)C(C)C)cc1	1973388186	WDZKWALBBNGQJO-HOCLYGCPSA-N	247.426	4.582	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2csc(C(C)(C)C)n2)C1	1980284751	AZDLIBMXKSPRRV-GHMZBOCLSA-N	237.412	4.734	0	10	BJAE	
CCC[C@@](N)(CC)CC1CCC(CC)CC1	1989815048	VJQVBGHCRXFLSB-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@H]1CC[C@H](C)CC1	1989838657	JOSWNONZBAETGW-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](CC)C1CCC1	1990089881	RFQULCBLYBJASM-CABCVRRESA-N	225.420	4.514	0	10	BJAE	
CC(C)C[C@@H](C)N[C@H](C)C1CCC(C)(C)CC1	1996552290	LANSNZYPGBYKEN-ZIAGYGMSSA-N	239.447	4.616	0	10	BJAE	
CCCC(C)(C)[C@H](CC1CCC(C)CC1)NC	1996612004	VIEIVFYYDYWYRJ-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
O[C@@H](CCC1CCC1)c1cccc2sccc12	1998035743	AGZIMROPRHEEHR-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CCC2CCCC2)C1	2000105569	LHLNAUYYTGCICI-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCc1cccc(O[C@H]2CCCC(C)(C)C2)c1	2000108383	ZECOIKOIFLAIRD-HNNXBMFYSA-N	232.367	4.597	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCC2CCCC2)C1	2000182999	WBQHMCLNLNLTFJ-WFASDCNBSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](C1CCC1)C1(C)CCCCCC1	2000389525	DUKGGHHUGLNFDZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](C)(CCC(C)(C)C1CC1)CNC	2000482318	BMANJTIKAWOEJI-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
C=CC=CCC[C@](CC)(CCCC)CNCC	2000499572	LVLQDBFRZOELOP-INIZCTEOSA-N	237.431	4.705	0	10	BJAE	
CCC[C@H]1CCCN(C2CCCCCC2)CC1	2000901028	UVCIFAFEEWBALE-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CC(C)=C(C)CCN(CC(C)C)C1CCCC1	2000908264	VYHFJDXMIDQHFO-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
C[C@@H](C[C@H](N)[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2003024660	PHXSZUDFLZAUMT-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
CC1CC(C[C@H](N)C2(C)CCCCCCC2)C1	2004921790	AACPYCNPXCWQCP-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CCCC(C)(C)C	2007623399	UAPQSYRIHXGUQZ-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CC[C@H](O)C1(C)CCC(C)(C)CC1	2007696729	MVIVNNNCKMJIJG-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CCC1CC(CC2(O)CCCCCCCC2)C1	2007756723	MKDVOSUEWNWZLF-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC1CC(CNc2ccc3sccc3c2)C1	2007807811	NFLWPIITEUESRO-UHFFFAOYSA-N	245.391	4.749	0	10	BJAE	
CC=CCCCC[C@@H](NCCC)C1CCCC1	2009618353	AXRBMZIDCOGRCK-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)C[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010712442	IZTQVAPRTLHVLX-ZIAGYGMSSA-N	237.431	4.523	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H]1CC(=O)CC2(CCC2)C1	2012084772	RGRNXDQZAZMXSS-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H](O)CC12CCC(CC1)CC2	2012824747	ONPUEMAUVCRECX-PCKAHOCUSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(N[C@@H](C)C2(C)CCCC2)c1F	2014339006	KBWZFDXTUAWJOP-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1cccc2ccsc12	2015383023	IIKLBNQZTRNXBX-LLVKDONJSA-N	246.375	4.766	0	10	BJAE	
CCCC1(C[C@@H](NCC)C2(C)CCC2)CCC1	2015635438	OPXUKLRPFRKEBN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(C[C@]2(O)CCC[C@H]2CC)CC1	2017649498	WMHAQMHQHNYDAF-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@@H](O)[C@H]1CC[C@H](CCC)CC1	2017659081	RMROOVMLBGUBOF-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
CCC1([C@H](O)C[C@H]2CC[C@H](C)CC2)CCCC1	2017714827	GGACIOHAHRRODP-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@](C)(N)CC2CCCCC2)CC1	2018977274	WHBXQHATJBUVPG-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC1CCC(C[C@H]2CCCC(C)(C)C2=O)CC1	2020391818	HNPPMCDCZOSEQC-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@H]1CCC[C@H](CC)CC1	2020969600	PYLXJMVAFURSNP-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
O=C(C[C@H]1C[C@@H]1C1CCCCC1)c1ccsc1	2022553774	IUUWJZRHSNPFGA-ZIAGYGMSSA-N	248.391	4.537	0	10	BJAE	
CCc1cccc(CC)c1NC1CCC(C)CC1	2026858825	FVCDYXYNJDHINK-UHFFFAOYSA-N	245.410	4.802	0	10	BJAE	
CCCCc1ccc([C@H](O)[C@H](CC)C(C)C)cc1	2028231687	HJVNFHCDUTWOHX-SJORKVTESA-N	248.410	4.745	0	10	BJAE	
C=CC=CCC[C@]1(CNCCC)CCCC1(C)C	2032107497	XYDYAWSWOZERME-QGZVFWFLSA-N	249.442	4.705	0	10	BJAE	
CC(C)(CC[C@@H]1C[C@H]2CCCC[C@H]2C1=O)C1CC1	2034256446	ATGNRAGMGMQNBR-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@@H]2C=CCCC2)CCCC1	2035575221	FWAKJQIRNGAXSL-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
CC(C)C1CC(C(=O)[C@H]2CCC3(CCCC3)C2)C1	2037681722	HWGASTCOLZNEPN-NFOMZHRRSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCCCCC1)CC1CC2(CCC2)C1	2038088080	PRTTWXKGVDVMMI-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1CC(C)(CN[C@@H]2CCCC3(CCCC3)C2)C1	2038884095	HBHIKOUKJCHDPE-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNCCC1(C)CCCC1	2039452563	KKRUPSVOOONJEJ-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@H](CC)C1)C1(C)CC=CC1	2042018340	DMHRNOQDDIXNRL-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H](C)C1CCCCC1)[C@@H]1CC=CCC1	2042030734	ONJRCLRHKVRJKV-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C)(C)C1NC[C@]1(C)CC=CCC1	2042073712	CUZKSAVPKGNJPU-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](c1cccc(C)c1)C1(C)CCCCCC1	2045721339	LKJKNSXCNNOWPC-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCC[C@@H](NCC)[C@H](c1ccccc1)C(C)C	2045762610	BABIINDGVGRTQI-SJORKVTESA-N	247.426	4.595	0	10	BJAE	
CCCN[C@H](c1cc(C)co1)C1(CCC)CCC1	2045812005	CCPCWNAFWGYQRT-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)C[C@@H]1C=CCCC1	2045997082	HUNZNNIBFPUPED-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](NC2CC3(CCCCCC3)C2)C1	2046230294	PPFODUINUNBPIW-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CN(CCC1CCC1)C1CC2(CCCCCC2)C1	2046324296	ICCGAJPXDUZJDZ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H]2CCC3(CC3)C2)CC1	2049418349	PYYUBNMLTSTRGZ-LBDPXKHJSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C1CCCC1)N(C)C[C@H]1CCC=CCCC1	2049430597	JAPUOFUGIMHFAY-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
C[C@@H](Nc1ccc(F)cc1)[C@H]1CCCC(C)(C)C1	2049527600	DCDYDUOIZSPAEF-OLZOCXBDSA-N	249.373	4.843	0	10	BJAE	
CCc1cccc(N[C@H](C)[C@@H]2CCC[C@H](C)C2)c1	2049536845	OGAATYWTGGYENH-SQWLQELKSA-N	245.410	4.876	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)C[C@H]1CCCC2(CC2)C1	2049867444	UZSFRYISMOIZQE-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H](C)C1)[C@]1(C)C=CCC1	2050007038	PDZAJBWHFZGIQR-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(N2CCC[C@@H](C3CCCC3)C2)CC1	2051674607	LECZRIICIBYHDX-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC(C)NC[C@]1(CC2CCC2)CCCCC12CC2	2053360269	UPGGGTAHJIMRIW-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCc1cccc([C@@H]2CC(=O)C[C@H](CC)C2)c1	2055138947	PXVLLOVRWUIJLR-CJNGLKHVSA-N	244.378	4.502	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H]2CC23CCCCC3)CC1	2059004753	ZKCPFIRHUUZFFO-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2059195129	DGZDCBAEUMHBJJ-HRCADAONSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C1=CCC(C)(C)CC1	2061111918	AIZWLLMVEQJJNW-FVQBIDKESA-N	249.442	4.667	0	10	BJAE	
CCC(CC)(CC)CO[C@@H](C)c1cccc(N)c1	2061845009	KFIHETCXDAJBMM-ZDUSSCGKSA-N	249.398	4.563	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)[C@]1(C)C=CCC1	2062640811	FLOKEISFHVDGQB-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063534959	DRBXAFUAJXDFAE-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](Nc1cc(F)ccc1C)c1occc1C	2063672079	PQKSNEBKOFIJOG-ZDUSSCGKSA-N	247.313	4.599	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)C12CCCC1CCC2	2063822207	PLJNAGCAGQWVKT-CGZBRXJRSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](C)c1ccc(NCC2CC3(CC3)C2)cc1	2064072876	QEYUNSQFOSDPRF-ZDUSSCGKSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC12CCC(CC1)CC2	2065285124	BLZJIGXUXCVRJO-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
CCCC1([C@@H](CC23CCC(CC2)CC3)NC)CC1	2065310041	IZZXAUUVEGRHPC-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)CC12CCC(CC1)CC2	2065337663	BTENLUJMLGGMLM-CWHQUEMWSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(CCC(=O)[C@@]12C=C[C@@H](CC1)C2)C(C)C	2068993736	DGIOHEPYICBWLA-YOEHRIQHSA-N	248.410	4.620	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC12CCC2)C1(CC)CCC1	2069193814	OXGORQXKHJREGJ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@@H](O)CC2(C(C)C)CCC2)c1C	2071897171	LRPVAPGYYWAAND-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@]2(C)C=CCCC2)CCC1	2071926702	SIDWVIHTLHMIAF-INIZCTEOSA-N	248.410	4.908	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC1CC2(C1)CC21CC1	2072231108	GQDOKSNUMSMEGZ-PREGVCBESA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CNc2ccc(F)cc2)CC1	2072795726	HSMUOUJBVBIIBQ-HDJSIYSDSA-N	249.373	4.844	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCNC[C@H]2CC)CC1	2072810493	WSNJTYFEZSQGQI-BZUAXINKSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(OC)cc1C	2073348195	WGRGQDNJGOHRQA-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
C(CCC1CC1)CC[C@H]1CCN[C@@H](C2CCC2)C1	2073770836	AFXSGFCEXDVNQW-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H]1CCNC2(CCCCC2)C1	2074141218	IOUUBEBXPRUTBK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc([C@H](C)NCC(F)=C(C)C)cc1	2076362965	GTIDLDWGXYDESC-ZDUSSCGKSA-N	249.373	4.553	0	10	BJAE	
C[C@H](C[C@@H]1CCCC(C)(C)C1=O)c1ccccc1	2076450366	MLFYGQLQHVQWBS-HIFRSBDPSA-N	244.378	4.576	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2C[C@H]3CCC[C@H]32)c1	2077265457	UGISCXCHXJJVLB-FRFSOERESA-N	241.378	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@@H]2C2CCC2)C1	2079327246	FPIFKMDNIJAUAS-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CCNC[C@H]1C[C@@H]1C1CCCCC1	2079460957	IMMNDUDEIXPFEZ-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
C1CCC(CCN[C@H]2C[C@H]2C2CCCCC2)CC1	2079528528	KAXOKOJORTZQLQ-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CNc1ccc(C2CCC2)cc1	2079623264	FWNPFUUEIGNVLN-WBVHZDCISA-N	243.394	4.658	0	10	BJAE	
CC1(C)CC[C@](N)(C[C@@H]2C[C@H]2C2CCCCC2)C1	2079833000	QENFYKRRZLNMJN-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2C[C@H]2C2CCCCC2)C(=O)C1	2079867621	VLDLZJOXWPAWEF-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCN(C[C@@H]1C[C@@H]1C(C)(C)C)c1ccc(C)cc1	2080083277	PBOYVBYJGLEVOZ-HOCLYGCPSA-N	245.410	4.504	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2081137488	PTSJLOYNNGYPQO-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@]12CCCC[C@H]1C2	2081786577	RVJURSAFFQFIOF-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C[C@]2(N)C=CCCC2)CC(C)(C)C1	2082981999	HYTQNKBVJPQQGI-KRWDZBQOSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC(=CC2CC(C)(C)CC(C)(C)C2)CCN1	2082984462	BBKIJIKMMOWHMD-ZDUSSCGKSA-N	249.442	4.537	0	10	BJAE	
CNc1cccc(-c2cccc(C(C)(C)C)c2)c1	2083551945	FINDKASDIQEWAU-UHFFFAOYSA-N	239.362	4.693	0	10	BJAE	
CC(C)CCC[C@@H](N)CC1C2(CCC2)C12CCC2	2083576733	OYUNPNDXSVGOTC-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H]2CCCNC23CCCC3)C1	2083809202	PENKYQBIGOOSGV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@H](N)CCCCCCC1CC1	2213578720	OXQQLKGCAZTSIX-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CC)Nc1ccnc(C(C)C)c1	2215273449	JZRLNGPJYDAXJM-ZDUSSCGKSA-N	234.387	4.586	0	10	BJAE	
CCN[C@H](CCC1(C)CC(C)(C)C1)C(C)(C)C	2215395063	JMPUGHVWGDQSQA-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@]1(C)CC=C(C)CC1	2215794940	ASJLVZWZUXLZQR-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CC[C@H](CCC)CC1	2216282246	HPEHIZMABSJITR-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC(=O)C[C@H](C)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216748007	SCNRBNMGTLIKSI-ARLBYUKCSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H](CC=Cc1ccccc1)NC	2219095581	OJODQUBHFMOZKG-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
CCC(CC)(CC)CNCC1(C2CC2)CC=CC1	2219248023	AFIMNGLDRSYEIZ-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1C[C@H]1CCN1CCCCC12CCCCC2	2220991264	KYTGQGXREBTOCF-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2(C)CC3(CCC3)C2)C1	2221036778	BZMJUHGNCAHXOY-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CN[C@H]([C@@H]1CCCC[C@H]1C)[C@]1(C)CC=C(C)CC1	2221615947	OGHNLQDPLYWEPR-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@]1(C)CC=C(C)CC1	2221617876	DGTGSXZYZBDVMN-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2CC[C@@H]2CC(C)C)CC1	2221646256	RQWIYRHYWGVIHU-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1([C@@H]2CC[C@H](C)C2)CC=C(C)CC1	2221668448	PCCSQVICYVDCOC-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
C[C@](CNC1CCC1)(C1CCCCC1)C1CCC1	2223550546	XCZQDXPLJVKCAZ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@@H](C)c1ccc(C)cc1	2223962870	AXPHFVDYYJQDAA-YQQAZPJKSA-N	247.426	4.513	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1cccc2ccoc12	2224198833	VWUNJMPRAYKEDM-CQSZACIVSA-N	246.350	4.683	0	10	BJAE	
CCCCC[C@@H](O)c1ccc(Cl)cc1CC	2243673076	UCDLUHLIIUDWLU-CQSZACIVSA-N	240.774	4.516	0	10	BJAE	
CCC[C@@](C)(N)CC[C@H](C)CCCC(C)C	2244870374	BIZSFVAQXQZKFD-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@H](CC)CSc1ccnc(F)c1	2246111765	XWKDCZIYQPGFIR-NSHDSACASA-N	241.375	4.529	0	10	BJAE	
CCC[C@](N)(CC[C@H]1CCC[C@H](C)C1)C1CC1	2246732895	OMOWGTXBGJCUFB-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CC1CC2(CCCC2)C1	2246767172	KXWLLZZFUBUISC-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@H]1CC[C@@H](C)CC1=O	2248865876	MDEOCILLHBMUBX-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCCCC[C@H]2C[C@H]2C)C1	2248869936	KRHXQRIKZJZYIA-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)C1=CCCCCCC1	2250358161	KKUZBJFGDSXNHN-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCCC(=O)C1	2250483948	AZVPXENMDQEEJK-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@H](CC)NC[C@]12CCC[C@H]1CC2	2251140231	MQYTVBLSHWZEBQ-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
Clc1ccccc1NC[C@@]12CCCC[C@@H]1CC2	2251159240	SBHPNXXKFGYGRE-DOMZBBRYSA-N	249.785	4.722	0	10	BJAE	
CCCCC[C@H](N)CC1CC(CC(C)(C)C)C1	2251498766	PPGVKBXJOUAXFV-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H]1[C@@H](CCCC(C)C)CCC1(C)C	2251711280	HWYUGMMHJVJGQC-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CCC1CC(C)C1)NCCC	2251757162	KQWGZUJEMNZTEW-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)N(CCC(C)C)CC(C)C	2252639765	LJQRTSRQFLAPAY-INIZCTEOSA-N	241.463	4.815	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1	2253936901	GAJYYFDQYYKBEE-NMNMXBMNSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C1CCC2(CC1)CC2	2254580969	FNNJNPYJPUHLAF-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CNCc1cc(C(C)C)cc(C2CCCCC2)c1	2254714874	LYPCGJAZEDESTK-UHFFFAOYSA-N	245.410	4.577	0	10	BJAE	
O=C(CC1=CCCCC1)[C@@H]1CCCCC12CCC2	2255061711	DOBQFHKXAZRHBG-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@@H](CC2=CCCCC2)C1	2255092225	SCRLNLVEAWGGOK-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
NC1(CC2=CCCCC2)CC2(CCCCCC2)C1	2255093491	GAEHQXAIEPYDCR-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)CC2=CCCCC2)[C@H](N)C1	2255135891	DQSJPSOTZPLMGI-VNQPRFMTSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCC[C@@H]1CCCC12CC2	2255231946	DNSQBZYSISPMNB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C1CCCCN(CC[C@H]2CCCC23CC3)CCC1	2255255102	BACXJXLGTZZTKR-MRXNPFEDSA-N	249.442	4.613	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC(C)(C)C2)cc(C)c1C	2258232919	IIVKRICJNYQYAF-OAHLLOKOSA-N	245.410	4.993	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@@H](C(C)C)C2)cc(C)c1C	2258233746	RIQDWDJMCYILAH-CVEARBPZSA-N	245.410	4.848	0	10	BJAE	
O[C@H](CC1=CCCCC1)C[C@@]12CCCC[C@@H]1CC2	2260605910	DMQUXHGFRPFQMR-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
O=C(CCC1CC1)c1cccc(C2CCCC2)c1	2260666559	FHPDNZHTCFIAGE-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC(C)[C@@H](C)[C@H](O)c1cccc(C2CCCC2)c1	2260729602	FHQGBNAKDNRVHF-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]3C[C@H]32)cc(C2CCCC2)c1	2260736078	SAEOAPZPOGGTMZ-DJIMGWMZSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H]2CCNc3ccc(F)cc32)C1	2261340781	XLRIGJJPENIPRK-YPMHNXCESA-N	247.357	4.551	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCCC[C@H]1CC	2300683625	LQBZSPYJNDPELC-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CCC(C)=CCc1c(C(C)C)ccc(C)c1O	2300924340	RUXCTJGYUYBKEX-UHFFFAOYSA-N	232.367	4.723	0	10	BJAE	
CN(CC1CCCCCC1)C1CCCCCC1	2301143622	VVVVXRPQKFAEGQ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC1CCC(O)(CC2CCCCCC2)CC1	2301209191	ZOWJQVGMWDXXHV-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)CCCCC2CC2)C1	2302874407	WDVPEBXNQPTUKC-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@H]1CCC(C)(C)C1	2302891892	GVRJXEUJCLDEGO-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC(=O)CC[C@H]1CC[C@@H]1C1CC1	2303154122	IGILEDYIQSOOAT-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CN1CCC[C@@H](CCC)CC1	2307760137	DYCLOCHMUYLDNC-JKSUJKDBSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC)CCCC[C@H]1C	2307894305	QWKCVPGEQGNREW-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CCC[C@H](CC)CCC)C1CC1	2307906377	DXDLTLDKNBPXAP-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1C[C@@H]2CCC[C@@H]21	2308385489	IIIYTVLVGZGDLL-QAETUUGQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)c1ccccc1C1CC1	2313692116	LDJXFBXXFXQQJU-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
CCc1cc([C@@H](NC)[C@@H](C)C(C)(C)C)ccc1C	2314691010	UCXTVFWDOGTSDF-CJNGLKHVSA-N	247.426	4.500	0	10	BJAE	
CCC(C)=CCN1CCC[C@H]1C1CCCCCC1	2316515998	ZKWQMMAXTIHKMV-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@@H]2C[C@@H]2C1	2317924141	ZUUMRFJLOKLCMF-YRGRVCCFSA-N	247.357	4.550	0	10	BJAE	
CCCCCCc1ccc([C@@H](C)NCCC)cc1	2318363851	GZNUTZWSSAUHCW-OAHLLOKOSA-N	247.426	4.870	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)C[C@H]2CCC23CCC3)C1	2319124358	RNXVLCJPYWONHT-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2319296590	MNPNYOLZYJXYRE-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@@H](N)[C@]1(C)C=CCCC1	2320255949	XULDDIBYXKAZRE-KCYZZUKISA-N	249.442	4.523	0	10	BJAE	
CC(C)c1cccc(NC[C@@]23CCC[C@@H]2C3)c1F	2327778489	QDXFCBKQNRYUPL-WBMJQRKESA-N	247.357	4.551	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CNC2CCC2)C=CCC1	2328306584	LWHCVULVUZMPHI-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCOc1ccc(-c2ccc(CC)cc2)cc1	4598736	GNJYZXIWSKTNAR-UHFFFAOYSA-N	240.346	4.705	0	10	BJAE	
CCC1CCC(Nc2ccccc2Cl)CC1	19230546	XDFSBVRBDINMOK-UHFFFAOYSA-N	237.774	4.721	0	10	BJAE	
CCC[C@H](C)CNc1ccc(C(C)C)cc1	21052609	AXDPILFIZDLQBH-ZDUSSCGKSA-N	219.372	4.658	0	10	BJAE	
CCc1ccc(N[C@H]2C[C@H](C)CC(C)(C)C2)cc1	21518866	OHQGDQBHDJSAET-BBRMVZONSA-N	245.410	4.876	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccccc1	21816375	GQAZPNXXWATWII-BPUTZDHNSA-N	231.383	4.559	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(CCC)cc1	37231302	KRBWSWQLHLAXDM-CYBMUJFWSA-N	219.372	4.630	0	10	BJAE	
CCCCC[C@@H]1C[C@H](c2ccccc2)CCC1=O	44469008	CDXYAOODBUXPKX-HZPDHXFCSA-N	244.378	4.720	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](CC)C1CCCCC1	69378881	BNQHBEYMTKXQKO-HZPDHXFCSA-N	239.447	4.904	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H](C)c1cc(C)ccc1C	70106485	RKXVNEIZNLBNHS-GOEBONIOSA-N	245.410	4.533	0	10	BJAE	
Cc1ccc(OCc2ccc(Cl)cc2)c(C)c1	70236356	OCGKNTIQTHCVDD-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCCCC[C@]1(N)CCC[C@H](C(C)(C)C)CC1	86956291	RVTTZZXUEHEFQN-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C1CCCCCC1	88134908	XIIRQTBFQHRVDQ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCCC2(C)C)CC1	94308159	ODAGGZUXNFAZCI-YMAMQOFZSA-N	237.431	4.514	0	10	BJAE	
CCCCC1CCC(CNCC)(C(C)C)CC1	94674482	RUKLWGZOMRLRFY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1csc2ccccc12	95778389	DOUTXANNJNVLTI-CYBMUJFWSA-N	247.407	4.727	0	10	BJAE	
CCCc1ccc([C@H](C)N[C@H](CC)CCC)cc1	103987285	USRUISFBPCVMMM-WMLDXEAASA-N	247.426	4.868	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1-c1ccc(N)s1	105882752	JAFBKPNHRULRHN-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
CCC(CC)(c1ccccc1)[C@H](N)CCC(C)C	110446716	DTBIHQNNZITALQ-MRXNPFEDSA-N	247.426	4.508	0	10	BJAE	
CC(C)[C@@H](N[C@@H](C)C1CCCC1)c1ccccc1	112405940	QNWJMISTIREDMR-WMLDXEAASA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1(CC)CCCC1	124991977	JFVHFQBJPLAKOC-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)c1ccc(C)s1	126133352	KEDMZEVRZQFUHX-DGCLKSJQSA-N	239.428	4.533	0	10	BJAE	
COc1ccc2c(-c3ccccc3)csc2c1	148828238	ABRMTASSNGLERB-UHFFFAOYSA-N	240.327	4.577	0	10	BJAE	
CCC[C@H](C)[C@H](O)c1c(C)ccc2ccccc12	160965632	ODDGDKVCZZIFDD-GUYCJALGSA-N	242.362	4.618	0	10	BJAE	
CNc1ccccc1Sc1ccc(Cl)cc1	202897414	SRNFNFSXTRXESH-UHFFFAOYSA-N	249.766	4.533	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)(C)C)c1cccc(C)c1	229293798	QEQRVYMQGGLIAJ-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
CCCC(CCC)[C@H](NCC)c1ccccc1C	229441715	WZFRIMHVALTRSM-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCC23CCCCC3)c1	230172860	OESNZRCSPJBWSI-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CCC[C@H](N)c1cc2cc([C@H](C)CC)ccc2o1	232359604	LVYZGEPELIGKNF-RISCZKNCSA-N	245.366	4.746	0	10	BJAE	
Cc1csc([C@@H](N)CCC(C)(C)C)c1Cl	235794395	XNGBXGYIIZKCBW-VIFPVBQESA-N	245.819	4.536	0	10	BJAE	
Cc1cc(C)c2[nH]cc(CCC3CCCC3)c2c1	235984065	OBIBXSVGEZASBN-UHFFFAOYSA-N	241.378	4.908	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@@H](C)C[C@H]2C)c1	251057228	BRBAIHANFUOWGL-DJSGYFEHSA-N	231.383	4.540	0	10	BJAE	
O=C(c1ccsc1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	253177669	BAYAZTWELVMMPS-RWMBFGLXSA-N	248.391	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H]1CNc2ccc(C)cc21	300243213	KLDONKFECUTDOD-ZFWWWQNUSA-N	231.383	4.721	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cccc(C)c1Cl	300905037	QVGIRUYIZAVPTG-RYUDHWBXSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(N[C@H](CCC(C)C)C2CC2)c(C)c1	302438456	AVIIJIYETHEPMF-QGZVFWFLSA-N	245.410	4.930	0	10	BJAE	
Cc1cccc(NCC(C(C)C)C(C)C)c1C	302531313	GNJKTFMSOPJGRG-UHFFFAOYSA-N	233.399	4.644	0	10	BJAE	
CCCCCCNc1cc(C)c(F)cc1Cl	304340469	IVLKASKRURTXFM-UHFFFAOYSA-N	243.753	4.780	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C(C(C)C)C(C)C)C1	304402830	OKYVGSIWHPQCIJ-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)C)c1ccccc1C	305956490	NWIKAUGEOIQKQP-PBHICJAKSA-N	247.426	4.718	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)C[C@@H](C)CC(C)C)C1	306013293	XDHHCMAFAWMGHR-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(O)CCC[C@H](C(C)C)CC1	306101997	PYEQNVCPXOMJEX-HRCADAONSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)C1(N)CC(C)(C)CC(C)(C)C1	306110955	VYJURLRSRFURLN-ZDUSSCGKSA-N	239.447	4.602	0	10	BJAE	
CCc1cc(Cl)c(Cl)c2ccsc12	306567213	ZNSHWRRJWQOBKT-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CSc1cc2ccsc2c(Cl)c1S	306861749	GMBQHKQDPPSGHY-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)c1cccc(C)c1C	308005658	CLARMGDUGREVIF-RDJZCZTQSA-N	248.410	4.799	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C1CCC(C)CC1	308080575	BTRDDYFJHJMVKF-NRXISQOPSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)[C@H](C)C2CCCCC2)c1	310783541	FZHAHDDAISPLDU-PBHICJAKSA-N	246.394	4.553	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)c1ccccc1C	310996625	HOYHQMGWWJEBOJ-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)CC1(CC)CCC1	311036021	DMCWWOFVANTQDI-CVEARBPZSA-N	246.394	4.512	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(O)CCC[C@H](C(C)C)CC1	319062274	XDXOMCDDBQBSFK-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CC(C)NC[C@H](C)CCC/C=C/c1ccccc1	324172970	RFLRSFVQWKHAJS-AYAUWGRQSA-N	245.410	4.504	0	10	BJAE	
CC[C@H](N[C@H](CC)c1cccc(C)c1)C1CCC1	324872234	CCWKRCMYLSNHKJ-DLBZAZTESA-N	245.410	4.614	0	10	BJAE	
CC1(C)CCC[C@H](NCC(C)(C)C(C)(C)C)C1	379968647	GJUIALKWQMXSQW-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1	380924069	DXAYKDLUNBXWLI-FOLVSLTJSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](c1ccccc1C)[C@H](C)CC(C)C	381077467	GIZKWBQTSLXZJU-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
Cc1cccc(N[C@@H](C)[C@@H]2CC3CCC2CC3)c1	382157255	OVVICUQZGBHSPE-GIOUXUJVSA-N	243.394	4.622	0	10	BJAE	
CCN[C@H](CC1CCC(C)(C)CC1)C(C)(C)C	383556164	YTNCWWLAKGNHIE-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1C[C@@H]1CC(C)C	387713650	NGHIZLBKJWIZKL-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H](C)C(C)C	393783689	VMAOVKFDFNYCNY-CYBMUJFWSA-N	219.372	4.514	0	10	BJAE	
CCC(CC)(CC)CNc1cccc(C)c1	395148707	MSLGUUMFHOWKOX-UHFFFAOYSA-N	219.372	4.623	0	10	BJAE	
CCc1csc2c(C(F)(F)F)cc(C)cc12	396299614	HBYBRLBJRZAFKA-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1ccc2sc(S)cc2c1C(F)(F)F	396309132	STKVFYFIZDIKOA-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@H](Nc1cscc1C)[C@H]1CC1(C)C	397648971	AKVLZFXPNIOIHE-NEPJUHHUSA-N	237.412	4.683	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@H](C)C(C)(C)C	399102296	HYIGDXAEELJLGP-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1CC=CCC1	402322560	LECBYOISJDGPML-OAHLLOKOSA-N	244.378	4.854	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](N)CCCC2CC2)cc1	405881346	VIUFVZBZZQFERF-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(CCCC2CC2)CC1	406026099	JWCYAXWSCRBBRT-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@H](O)C2CCC(CC)CC2)CCC1	686921554	GIVKCMRHFVMKJM-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc([C@H](O)CCC2CCCC2)c1	688971099	KNWSMFOGRSXNSY-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)CC2CCC2)c1	689616580	ZTGGBSCHAGAZFE-ZDUSSCGKSA-N	245.410	4.802	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2CC3CCC2CC3)C1	691738992	BJDRXOGOGDLFEB-BOXZVXIZSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1(C(=O)CC2CC=CC2)CCCC1	692089615	WOJUKZKEDIDIHW-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2CCCC3(CC3)C2)C1	695689205	KQUDESWOVFCUME-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)[C@@H]1CCCC2(CC2)C1	695944026	IRDFMTTZCHPRKW-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CCCC2(CC2)C1	695972757	UOKJADODEMYZDT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@H](CC1CCC(C)CC1)NC	696249552	NCSDIWZMNGOCBX-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)CC(C)C	696645296	LQQFTYHLVHFJJQ-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](CC1=CCCCC1)NC	696799038	IPWOHTBWSTYUPV-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C1CCC([C@H]2CNCCC23CCCCCC3)CC1	696838277	PUWQDGQFWBONHU-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C(C)(CC)CC	701243379	RWVFFSPASNMNAD-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@H](C)CC(C)(C)C	708286285	FOEHPBVYEJTXCQ-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CCCNC[C@@](C)(CC)C[C@H](C)CC(C)(C)C	709105744	MVSLZOPONDJXNX-ZBFHGGJFSA-N	241.463	4.865	0	10	BJAE	
CCc1ccccc1[C@H](O)C[C@H](CC)C(C)(C)C	711088771	VUCXJQOLUBCSIC-GOEBONIOSA-N	248.410	4.745	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CCCC1CCC1	711169013	JSZUJWANNBTXEO-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CC(C)(C)CC[C@@H]1C	713117399	KCIMNMNDDCUGSL-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
C=C/C=C\CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	713672078	DJINSGDQFMRHKF-MKWACEFDSA-N	246.394	4.684	0	10	BJAE	
CC1(C)CC[C@H](CCC2CCCCC2)[C@H](N)C1	717465232	ARTOSDIJUDPZMF-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(C(C)C)CCCCCN1	718653971	RFQCHWJPWVAFHJ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CNC[C@]1(CCC2CCCC2)CCC=CCCC1	718996103	IZBWNLXSXRHLRY-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC/C=C/c1ccccc1	721701133	ASBWSJKKROGCGJ-WQMJKPAKSA-N	246.394	4.667	0	10	BJAE	
C[C@H](NCC1CC2(CCC2)C1)C1CCCCCC1	1193260856	KQGYOSICKKSPFH-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N[C@@H](C)CCC=C(C)C)CC1	1474534296	QLLAXPMSZYKIKQ-FHERZECASA-N	237.431	4.680	0	10	BJAE	
C[C@H]1CCCC[C@@H]1SC1=Nc2ccccc2C1	1613548083	CAOINMFUYCAWNJ-FZMZJTMJSA-N	245.391	4.585	0	10	BJAE	
CCC(CC)c1c(Cl)ccc(F)c1F	1889470104	JWZPWVGAKKFNQZ-UHFFFAOYSA-N	218.674	4.522	0	10	BJAE	
CCCC[C@@H](CC)N(C)CCC(CC)CC	1900705895	XAYGIKKYFYBIEC-OAHLLOKOSA-N	227.436	4.713	0	10	BJAE	
FC(F)(F)c1cc(Cl)ccc1C1CC=CC1	1902503589	NINFYDGRHVPJCW-UHFFFAOYSA-N	246.659	4.792	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)CC1CCCC1	1905361255	NSTAYLJWMKXGMX-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCCC(C)C)NC	1905398691	PLNWPLNMQFVVNO-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](CCC[C@@H]1C[C@@H]1C)NCCC	1908567252	APOZBSIMDACROU-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccccc1C=CCCNC(C)(C)C	1912073334	IPMRXFZAYSQPGH-UHFFFAOYSA-N	245.410	4.601	0	10	BJAE	
CC1CCC(N[C@H]2CCC3(CCCCC3)C2)CC1	1915872030	RZBLIXLHCAMCJL-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H]1C[C@H]1c1ccccc1	1919973659	ITENKEADMCJQRJ-ULQDDVLXSA-N	246.394	4.512	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@](C)(CO)C1CCCC1	1923896029	WSLZSCBAGUUSHA-BBRMVZONSA-N	240.431	4.638	0	10	BJAE	
C1=C[C@@H](CNc2cccc(C3CC3)c2)CCCC1	1925890586	MMXQMDIFSJIQIK-CQSZACIVSA-N	241.378	4.722	0	10	BJAE	
CCCC(CCC)C(=O)CCCC1(C)CC1	1935938947	CTWOTZXKHPZEDD-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)CCCC(=O)[C@H](CC(C)C)C(C)C	1936207364	UCEPMLCDXVDLOM-CQSZACIVSA-N	226.404	4.700	0	10	BJAE	
CC(C)(C)CCCC(=O)C1(C)CC(C)(C)C1	1936674216	PSAPQNUXRWBNDH-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC1(C[C@](C)(N)CC2CCCC2)CCCCC1	1940408367	KVURGNAYLVUTIG-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C1CC1)C(C)(CC)CC	1940724045	YYSNTZWCEJSBFD-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)CC1CCCCC1	1940877220	PBIOMJRCSAFHQH-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
O=Cc1ccc(SCCCCCC2CC2)cc1	1941588273	ZZRQYGUKMULVQL-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC(C)C)[C@H](C)C(C)C	1942652445	HMQBFTVAMYKWKG-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CCCC1CCC(N)([C@H](C)CCC(C)C)CC1	1942654824	DJDHXRPJCZLEPS-QQFBHYJXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)CCNCC(C)(C)C1CCCC1	1946166529	MIGNCBHBJMESHN-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
C=CC=CCCCc1ccc2c(c1)CCCC2	1947359209	SBMNTPZJPHMDFV-UHFFFAOYSA-N	226.363	4.630	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC12CCC2)c1cccs1	1947878764	LLWVPFKBYADIEO-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
CCCC[C@@H](CCCC(F)(F)CC)NCCC	1948435157	JKIZPHNIPDPLBD-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
CCCCC[C@](C)(N)c1cccc2ccsc12	1948938095	YXRICISIQSMTRR-HNNXBMFYSA-N	247.407	4.656	0	10	BJAE	
C[C@@](N)(C1=CCCCCCC1)C1CCCCC1	1948954786	IFBZHOMZZMMUPE-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CC2(C)CCC2)CC1	1948968092	RDVOXBWLBXSMJX-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@](C)(O)[C@@H]1CCC2(CCCC2)C1	1949454773	ZLTHYVQSWKXUMO-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCC[C@H](C)CC1	1950924674	NAMMBMXEZCPXTH-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@@]1(CNC)CCC[C@H](C)CC1	1950929164	FCXRYZKLJIJFDJ-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CCCC(CCC)NC1CC2(C1)CC(C)(C)C2	1950987104	FJPIBAILLKYGSZ-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CCC1CCCCC1	1962912696	JRZHFNQYRUEORY-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCC1(CNC2C[C@H]3CCCC[C@@H]3C2)CCCC1	1965923082	LPJBQWIEMNJZSI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2C[C@H]2C2CCCC2)CC1	1966023057	PNMUQGFVWDROMF-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@@H]2CC(C)C)c1	1968230691	ULDIQVSRSHEZKT-HUUCEWRRSA-N	231.383	4.540	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1CCCCC12CC2	1972726080	VLWWKLOKBNDVEK-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
C[C@H](CC1CCCC1)NCCC12CCC(CC1)C2	1973949157	RVCPXRBBVMOKBV-ODIFPOPNSA-N	249.442	4.515	0	10	BJAE	
Cc1cscc1NCC1CC(C(C)(C)C)C1	1977054249	LFVLOQOZTTULIC-UHFFFAOYSA-N	237.412	4.541	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCCCCC[C@@H]1O	1980340090	SNJFTAHJOQZPMM-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)CC[C@H](O)c1ccccc1Cl	1980681794	PQKUWPPGAXYFES-FZMZJTMJSA-N	240.774	4.590	0	10	BJAE	
CC(C)[C@H](C)CCC(=O)c1ccccc1Cl	1988291265	LFAARLMZUZTDPH-LLVKDONJSA-N	238.758	4.595	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1(CCC)CC1	1990611370	WBZHLHPKYCDNFL-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
C[C@@H](NCCC(C)(C)C)C1CCC(C)(C)CC1	1996551888	HXNMACSCGVIQBY-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@@H]1CCC[C@@H](C)C1	2000505072	NQDODQDJHCBFQB-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)[C@@H]1CCC[C@H](C)C1	2003016812	QQSPGYGWAMYIBR-NUEKZKHPSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(O)CCCC2CC2)C1	2003021952	RSMGVGJUWAUBSQ-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@H]1CCCC(C)(C)C1	2004229033	FGFZCRJAWWZJJE-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)c1ccccc1CCC1CC=CC1	2005985955	NVHYOLNNFSLUJQ-UHFFFAOYSA-N	228.379	4.883	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccc(CF)cc1	2007025853	KRYYXYSTEBUISH-ZFWWWQNUSA-N	235.346	4.537	0	10	BJAE	
CCC1CC(C[C@@]2(N)CCC[C@H](CC)CC2)C1	2007747838	XLJQSHDALPCRJU-SLTXQBBLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC=C1CCCCC1)NCCC	2007943565	DKKQQBQAJUQKQA-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CC1(C)CC[C@H](CCC2CCCC2)[C@H](N)CC1	2009405343	YEBLYDQHVBOGDB-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCCN(C)[C@@H]1CCC[C@@H](CC)CC1	2009567033	LPJKCBHBYSFDLK-RKIWFNSJSA-N	237.431	4.633	0	10	BJAE	
CC=CCCC[C@H](N)C1(C)CCC(C)(C)CC1	2009590362	GMXFUMUZKZVVLY-AWEZNQCLSA-N	237.431	4.667	0	10	BJAE	
CC(C)CC1(C(=O)CCC2(C)CC2)CCCC1	2009603844	PSIZQTDNRHMPCY-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@@H](CC(C)(C)C1CC1)NCC	2009626726	FVOYATUEVCXHNQ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)C2(C)CCC2)C1	2009715853	KNHFNCCGFLCQKF-NFOMZHRRSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H]1NCC[C@@]1(CCC)C1CCCC1	2009766961	CACZULRETBFGES-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](O)(CC)C1=CC[C@@H](C(C)C)CC1	2010714916	SDSPRNQPJAUVPM-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](C)CC1=CC[C@@H](C(C)(C)C)CC1	2010767961	XPEDOZQZWAUSJV-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](NCC)CC(C)(C)C1	2012065375	WQLPXEYLBPKJAU-ZWXLGZMVSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H](C)C1CC2(CC2)C1	2012413939	VQJQJOXIRYYIMT-NSHDSACASA-N	249.785	4.639	0	10	BJAE	
CCCNC[C@](CC)(C(C)C)[C@@H](C)[C@H](C)CC	2012414425	VVIQXPJUDZYYBH-OWCLPIDISA-N	241.463	4.721	0	10	BJAE	
C[C@H](CC(=O)CC1CC(C)(F)C1)CC(C)(C)C	2013168401	WLEYRKNPVBXOSL-XIKARTHZSA-N	242.378	4.546	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N1CCCCCCCCC1	2013184540	LNOQAMWVOHHDLE-HOTGVXAUSA-N	237.431	4.611	0	10	BJAE	
CC(C)[C@H](C)C[C@@](C)(O)[C@@H]1CCCC(C)(C)C1	2015291879	WMEURINKLNYUQX-IIAWOOMASA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@H](O)C1(C)CCCC1)C(C)C	2015333744	DEUUTQBGWNJQGX-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC1([C@H](N)CCC2CCCCC2)CC1	2015753806	WMSZTRIJHMXNLT-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](N)C2(CC(C)C)CC2)CCC1	2015758024	YRIFJYDXWDGFHP-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@]2(C)C[C@@H]2C)CC1	2016456433	WWAUIESJUSGVIR-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CC2(C(C)(C)C)CCC2)C1	2017149349	ZCJCIPYKALVXEY-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CNc1cccc(C2(C)CC2)c1	2017470804	QQOAJGLMVLYGTA-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(C)CCC[C@@]2(C)O)CC1	2017713999	CSKYSWNNLSSALE-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(C)(C)CNCC)CC1	2017728295	JXZYODXOABFKFY-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(N)CC(C)(C)C2)CC1	2017729027	RMJFGXCLHWZULH-HDJSIYSDSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CC[C@@H](CN)CCC)CC1	2017732740	DJVRXMQXEWODLV-GPANFISMSA-N	239.447	4.748	0	10	BJAE	
CCCC1(CC2(CNC)CCCCCC2)CC1	2018984292	FQHISQCCROIMIH-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1(CC)CCCC1	2020964188	FPFBSFJLFFXNSP-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1C[C@H]1C1CCCCC1	2022413226	CKDLQSNGUNUBCJ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2022414090	ZILOEIZGJZNGLN-HUUCEWRRSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@](C)(CC)CNC(C)(C)C	2022498039	GDNJRDKQNWLPRJ-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@H]1C[C@H]1C(C)(C)C	2022557061	KYLGYRNELAXTGZ-MGPQQGTHSA-N	238.415	4.700	0	10	BJAE	
CC(F)(F)CCCC[C@@]1(O)CCCC(C)(C)C1	2023310381	FPFIVBUOXPSDHP-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1CCCC(C)(C)C1)NC	2024102647	UYVGZZNVWJIAEV-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1cc(C)c(C)o1	2026079215	LONVCKGNKUPCAF-LLVKDONJSA-N	236.355	4.686	0	10	BJAE	
CC1(CCCOc2ccccc2C(C)(C)C)CC1	2027834157	XTKBKAPDIISYTQ-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
CCC1CCC(CNCC2CCC=CCC2)CC1	2028906151	RXUMMIMKQURMST-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1cc2ccccc2o1	2029826625	UTPRQYGXLWMRNX-LBPRGKRZSA-N	244.334	4.688	0	10	BJAE	
CC(C)CC[C@@H](C)c1ccc2c(c1)CC[C@H](C)N2	2029839483	ZOSIXXKSXKZGSD-KGLIPLIRSA-N	245.410	4.973	0	10	BJAE	
C1CCCC(NCC2C[C@H]3CC[C@H](C2)C3)CCC1	2033099730	MLNLHLRNEOQDIO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@H]2C=CCCC2)cc1	2035558512	CVNONXNPLDGXHN-AWEZNQCLSA-N	242.362	4.739	0	10	BJAE	
CC(C)CNCC1(C[C@H]2C=CCC2)CCCCC1	2035590100	RZERQOXVKANJAQ-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CC(C)(CC[C@@]1(N)CCC12CCCCC2)C1CC1	2037160927	RDNFUVAHKQLJNE-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC(C)(CC[C@H](N)CC1CC2(CCC2)C1)C1CC1	2037973678	BOZQTHUCOQEPOB-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC1(CCNC[C@H]2CC23CCCCC3)CCCC1	2039058296	LWIXTQBSQTYGOP-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
Cc1cccc2nc([C@H]3CCC[C@H](C)CC3)[nH]c12	2039377135	QALXDEVKPXLDPF-AAEUAGOBSA-N	242.366	4.555	0	10	BJAE	
CCCC(C)(C)C(=O)c1cccc(CC(C)C)c1	2040718782	GEDYBGZKYDYNEV-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)[C@@H]1CCCC2(CCC2)C1	2041300926	SFGDWVKLTOBELC-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)C1(C)CC=CC1	2042017940	ZYCFHFVGNJVGBI-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)[C@@H]2CCCC23CCC3)C1	2045392158	SEZMJKCVLDTVHQ-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CC(C)=C[C@@H](C)C1	2045765308	ZPSHALGQGFHFHR-DJIMGWMZSA-N	249.442	4.703	0	10	BJAE	
CCN(CC1(C)CCCCC1)c1ccccc1C	2046569600	XUGJHMUEDHESBI-UHFFFAOYSA-N	245.410	4.792	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2[C@H]3CCCCC[C@H]23)C1	2048447624	YRAPBFVVVORVNS-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(C1CCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2049212045	OTNWDIWZPUTQLF-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCC[C@]1(C[C@@H]2CCC3(CC3)C2)CCCCCN1	2049860076	BBHXCNWUFMMFIX-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
Cc1cc(C)cc(NC2C3CCCC2CCC3)c1	2050041004	CLMXYVHYPNBVRJ-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CC1(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CCCCCCC1	2052503402	UMSHIRTXEPFXTM-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCCCC12CC2	2053300914	AMEZEFYCASHZNM-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CC1=C[C@@H](N[C@@H]2CCCC23CCCCC3)CCC1	2055549294	JLPQVOWGDVRVFZ-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1	2056537335	KMXBMXPYPGSVDP-WCCAFZKYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC1CC(C2CC2)C1	2056640596	QXGIULREMDTNRR-PGEKIEPBSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1(C2CC2)CCCC1	2057606611	OJGASRKNUZHHTN-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc([C@H](O)C2=CC[C@H](C)CC2)cc1	2060930125	QFYJSSBGFOAMGT-SUMWQHHRSA-N	244.378	4.590	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NC1CC(=C2CCC2)C1	2061253119	USQGYRRQTBFWEI-SUMWQHHRSA-N	247.426	4.578	0	10	BJAE	
CN[C@H](CC1CC(=C2CC2)C1)[C@H](C)CC(C)(C)C	2061727961	DMIFFRZHZDJOEZ-MLGOLLRUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CCCCCC23CC3)C1	2062021354	UTSWYGBGOJOPMU-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](CC23CCC(CC2)CC3)N1	2066378824	SWSXLQHCMYSTNX-VUROTCPHSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@](N)(C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCC1	2068769906	CPZVPYINVAFFLA-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC[C@](O)(CC(C(C)C)C(C)C)c1ccccc1	2068843062	KYKGCHPXAKHBDO-KRWDZBQOSA-N	248.410	4.603	0	10	BJAE	
CCCC1(CC(=O)C2[C@H]3CCCCC[C@H]23)CCC1	2069285310	QIGRNVACXUTMIA-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@]2(C)CC=CCC2)CCC1	2069335645	QQECQJSLIFHSNE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@@H](NCC)C2(C)CC=CC2)CCC1	2069336222	XMUINFWDRBTARD-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCCC23CCC3)CCC1	2069344164	IBBYZKCVISBBBV-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c(C(=O)C2(CC(C)C)CC2)cc1C	2069499511	GJZYRVNYXSICHI-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C1(CC2CC2)CCC1	2069521744	PBJXYJVWDMZKEL-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC1CC2(C1)CC21CC1	2072231107	GQDOKSNUMSMEGZ-BDVYOWHSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H](CC)c1ccccc1	2072418533	UDLZSOORLKJLDL-IAGOWNOFSA-N	245.410	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2CC[C@H]3C[C@H]23)CC1	2072682405	VAFCIFODYBAFIQ-QXKUPLGCSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(C[C@H]2C[C@@H]3CC[C@H](C2)N3)CC1	2072814827	GFDYRXNBOTWCNT-NWJOVSIXSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@](O)(CC)Cc1ccc(CC)cc1	2073339947	CREGOCVRWXYTFZ-QGZVFWFLSA-N	248.410	4.513	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@@]12CCCC[C@H]1C2	2074032450	FOZSXSHWGURIOJ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](NC)c2ccccc2C(C)C)CC1	2074654332	XVHXCSNICUEZPK-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CCC12CCCCCC2	2074899482	KXPOVINEZKNSPJ-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
CCCC1CCC(C=C2CN[C@H]2C(C)(C)C)CC1	2076157739	ODUWJUWQIFISNK-ZBCRRDGASA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1[C@@H]2CCCCC[C@@H]12	2077193878	DUFARKPPLUGZPC-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](Nc1ccccc1C1CC1)[C@@H]1CC1(C)C	2077261739	DEUBPBAFJUUGEJ-GJZGRUSLSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC(C)(CN[C@@H]2CCC3(CC3)C2)CC1	2078336269	CNMVRSDPKWFWAD-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](NC)c1ccccc1C(C)C	2079433960	CVONUVUIUDURCN-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
N[C@H](CCCC1CCC1)[C@H]1C[C@@H]1C1CCCCC1	2079436131	SNYSYNJXPFPIBG-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H]1C[C@H]1C1CCCCC1	2079437079	ZKWLQXOFQQCHPK-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
N[C@@H]1CCCCC[C@@H]1C[C@@H]1C[C@H]1C1CCCCC1	2079672919	ZINGEKZNAUVCFI-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)[C@@H]1CCCCC12CC2	2079840960	FYSHSYHWYIPJBC-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CCN(C[C@H]1C[C@@H]1C(C)(C)C)c1ccccc1C	2080083812	SGLZFECHOZHLCO-CABCVRRESA-N	245.410	4.504	0	10	BJAE	
CC(C)NCC1(CC=C2CCC2)CCCCCC1	2081678662	ZYVMOTBPZWJMCJ-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCC1(C[C@H](N)c2cc(C)cc(C)c2C)CCC1	2082929281	CIFYXJMVLQMPQG-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CCc1ccc(N[C@H]2CC[C@H](C(C)C)C2)cc1C	2085239781	HLWWJSAFXAFZAB-RDJZCZTQSA-N	245.410	4.794	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)([C@H]2CCC3(CCCC3)C2)C1	2085321148	PJCNYAIHSWDOTM-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCCCCCc1ccc([C@H](N)CCC)s1	2210516417	DHACMYAMXZCUBG-CYBMUJFWSA-N	239.428	4.671	0	10	BJAE	
C(=Cc1ccccc1)CC1CC(C2CC2)C1	2210662953	VSCVNHYPJATHNO-UHFFFAOYSA-N	212.336	4.526	0	10	BJAE	
Cc1cccc(C)c1C[C@H]1C=CCCCC1	2211935663	NGUFFKCDEABNLB-HNNXBMFYSA-N	214.352	4.592	0	10	BJAE	
Cc1ccc(-c2cc(C)c(Cl)c(C)c2)c(O)c1	2212871345	ARTOFQIJZOQFBU-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1C[C@H]2CCC[C@H](C2)C1	2213284502	IRAVXDLBTJBJMP-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CCC[C@]1(CN)CCCCCCC1CC1	2213572612	YICVZWKOPOMWMQ-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CC(C)[C@@]1(CCCCCCC2CC2)CCCN1	2213574565	VMOLDRWNYWEXRS-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC1(O)CCCCCCCCC1	2214970241	IYRJWPCWDCMFKM-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@]1(O)CCCC(C)(C)CC1	2215236274	IKXRUSWJVKPKAS-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)CC1(C)CC(C)(C)C1)C(C)(C)C	2215434142	UHTVNMKSIWHGMU-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CC1=CC[C@@](N)(CCC(C(C)C)C(C)C)CC1	2215835894	UMDVHZVRQMSJLF-INIZCTEOSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](C)NCC1(C2CCC2)CCCCCC1	2217140825	RIFUHQDEJSNNDF-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NCC1(C[C@H](C)CC(C)(C)C)CC1	2217158915	IBTXOHFMMCVUOD-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CC1	2218337043	XYIFEGJXQSHCGD-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC[C@@](O)(c1ccc(CC(C)C)cc1)C(C)(C)C	2218648164	IYZBPNLIYBVSFP-QGZVFWFLSA-N	248.410	4.529	0	10	BJAE	
CC(=CCCCCCC1CC1)C[C@H]1CCCCN1	2218724148	IETSHTWFZCWVPT-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(NC2CCC(C3CC3)CC2)cc1C	2218894874	MHZRREMEQWITNH-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CCCCN(CCCCC1CC1)c1ccccc1	2220019616	ZSTQJSWKWBQQMW-UHFFFAOYSA-N	245.410	4.873	0	10	BJAE	
C[C@H](C[C@@H](O)CCCCC1CC1)c1ccccc1	2220026946	DGEVDUCMPXLFEZ-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
CC1(C)CCC[C@H](NCC2(C)CC3(CCC3)C2)C1	2220935556	KOQSVNOZCPJGMB-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(N)CCCC[C@@H]2C2CC2)C1	2221027571	HTWURUKFLXVBJY-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@H](CNC2CC(C)(C)C(C)(C)C2)CC1	2221619530	RJKWFMJXOXZKIV-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)c1c(C)cccc1C	2222012831	BLVLHBCLFJIZAC-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
CC(=CCCCCCCC1CC1)[C@@H]1CCCNC1	2223122915	LZXKTQARECIQDU-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)NCC1(C2CCCC2)CCC=CCC1	2223542412	QIWNBGMYFDDABX-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@]1(CNC1CCC1)CC1CCCC1	2223554305	FXHRDCIAEQUGSO-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)c1cccc2ccoc12	2224183791	YFBPVHMKQYLMMP-FZMZJTMJSA-N	245.366	4.505	0	10	BJAE	
CCCC[C@H](N)CCC[C@H]1CCC[C@@H](C)C1	2242764416	XFEPFUBXMMJXQM-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CCc1cc(Cl)ccc1CC1=CCCCC1	2243646961	BTCQVPDLLNFHLK-UHFFFAOYSA-N	234.770	4.945	0	10	BJAE	
CC[C@H](C)C[C@H](N)CC[C@@H]1CCCCC12CC2	2246631686	UTQCLKAFJVLCBD-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)[C@H](N)CC[C@H]1CCCCC12CC2	2246633397	ZVDYBKCAYBLKBE-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(O)CCC[C@@H](C)C2)C1	2246690518	DXHQMSZPLLTGAH-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CC[C@]1(CCCC[C@@H]2C[C@H]2C)CCCCCN1	2247116711	BCNIOJHBPRZICO-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCC1([C@H](O)CCCC[C@@H]2C[C@H]2C)CCC1	2247172802	BFWXSWZORLKHCZ-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@H]1CC[C@H](C)CC1	2247173413	RZCZWZMZQCALJP-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
Fc1cc(Cl)cc2cc([C@H]3CC34CCC4)[nH]c12	2248308482	NPTGYFVTWQEOCB-SNVBAGLBSA-N	249.716	4.618	0	10	BJAE	
CC(C)C1(C(=O)CCCCC[C@@H]2C[C@@H]2C)CC1	2248880901	VHCDPXPIDKLZSX-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)[C@@H](C)C1CC1	2250476137	NLGDDSKMOGQPCJ-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
Cc1scc(C(=O)[C@]23CCCC[C@@H]2CC3)c1C	2251108331	UBVCBNLOWZNCKA-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@]12CCC[C@@H]1CC2	2251119607	UTRHPXNVAVBURO-LZWOXQAQSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)C1CC(CC(C)(C)C)C1	2251538675	QUDCWORYUHKLCR-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
CC1CC(C)(C[C@H](N)[C@]23CCCC[C@H]2CCC3)C1	2253767111	RSHNUVUGTALGSV-QDZBGDLPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CC[C@H]2CCCC[C@@H]21	2254603763	DLHVQTHLRIGKAG-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cc(C=O)cc(CC2CC(C)(C)C2)c1	2254743304	FTFKFQXKPJPSEL-UHFFFAOYSA-N	244.378	4.601	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C(=O)CC1=CCCCC1	2255049081	GMBBKHRYXZZQPF-OFQRWUPVSA-N	246.394	4.518	0	10	BJAE	
CC1(F)CC(CNc2cccc(C(C)(C)C)c2)C1	2257868062	IRFUZWLBGHSIJM-UHFFFAOYSA-N	249.373	4.534	0	10	BJAE	
CC(C)(C)c1cccc(NC(=N)C2CCCC2)c1	2257942456	QUZQBBGBHPDXSX-UHFFFAOYSA-N	244.382	4.563	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@]12CCCC[C@@H]1CC2	2260561867	ONVVLKYYJRSDPU-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H](C)CC1CCC1	2298880104	ZJWNTQQXFMSAJC-BPLDGKMQSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)CCCC(C)(C)CC1	2298947997	KGDFWVBQTZLNII-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CC2CCC1CC2	2300707130	YCACYSZQDURCJW-NRXISQOPSA-N	236.399	4.598	0	10	BJAE	
CCC(C)=CC[C@]1(CNC(C)C)CC[C@H](C)C1	2300860025	BUHYBWIMBJKDGL-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC=C(C)CCCC(C)C)C(=O)O	2300893032	MAQNSTLHMVTHPI-CQSZACIVSA-N	240.387	4.650	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@H](CC(C)C)C(C)C	2300896952	NVPWXNXZYYKBCR-HZPDHXFCSA-N	239.447	4.639	0	10	BJAE	
CCC(C)=CC[C@@H](C[C@H](CC)C(C)(C)C)NC	2300904899	TVPBIQNGMOJCDF-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](N)CC1CCCCCC1	2301240893	DPBXKDDSTYQGHK-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@H](C)C1C1(O)CCCCCCCCC1	2301291196	NVFLZOAUVWOXAQ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@@H]1CC[C@H]1C(C)(C)C	2303446017	UZVGVYOGSJPLSL-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@@H]1CCC(C)=C(C)C1	2303577671	QIDXZAIYMPRMSD-NUEKZKHPSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCCCC1(C)C	2307835187	OMBWVVZTIKWBOS-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1(C)CCC(C)CC1	2307894141	PZNDWVHVDRVOTF-PWUWZPNHSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(C)(C)C[C@@H]1NC	2307898145	HVLDDULCHNUZEZ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@]1(C)CC=C(C)CC1	2307899764	RORMVQGMUSXAFX-XHSDSOJGSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC[C@@H]1C[C@H]1C1CC1	2308414858	QXXYHJUUXTZCSH-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309149425	XKOUOLSUGKEBMJ-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@@H](C[C@@]23CCCC[C@@H]2CC3)NC)CCC1	2313333109	DXDXMKYATSQCST-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2313346407	OZWXLHPRUQRKIR-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@]12CCC[C@@H]1C2	2316512039	YYCPAVBMZFSJIW-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(=CC=C1[C@H](C)CNC[C@@H]1C)CCCC(C)C	2316538174	VODCEJQAGPGSPD-IYBDPMFKSA-N	249.442	4.561	0	10	BJAE	
Cc1cccc([C@](C)(N)CC2CCCCCC2)c1	2316882476	ZGWVUADQPSUKAC-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CCNc1cc2ccccc2c(C(CC)CC)n1	2318401883	KVHQYFMTPAHRLV-UHFFFAOYSA-N	242.366	4.570	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CCCC2=CCCCC2)[C@@H](C)C1	2318548511	MRSSAFCXQGGXGG-DZKIICNBSA-N	248.410	4.908	0	10	BJAE	
CN[C@@H]1CCC[C@H](C)[C@@H]1CCCC1=CCCCC1	2318573870	XCRGBNRJPXLTDT-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C[C@@]1(C(=O)CCCC2=CCCCC2)CC=CCC1	2318587905	DGBLODOCSZXJOR-QGZVFWFLSA-N	246.394	4.973	0	10	BJAE	
CCC(C)(C)CC(=O)c1cc(F)ccc1C1CC1	2319171996	TUQFNKCFAZFWAN-UHFFFAOYSA-N	248.341	4.712	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC[C@H]2CC[C@@H]2C2CC2)CC1	2319731428	UEZKUOLBZAAMMD-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1CCCC1)C[C@@H]1CCC(C)=C(C)C1	2320389391	ZTFACHVWHOGAQC-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCCCCN[C@@H](C)c1cc(C)ccc1C	20545873	VIBMUVCPYZWQIC-HNNXBMFYSA-N	233.399	4.534	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@H](C)CC(C)(C)C2)cc1	20566077	QTFCAJWHONIFHZ-ZFWWWQNUSA-N	231.383	4.622	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1C)[C@@H](C)CCC	35579523	FQIAHWCWQSVCFD-YOEHRIQHSA-N	247.426	4.780	0	10	BJAE	
CCC(CC)[C@H](N[C@@H](C)CC)c1ccccc1	37107763	GQSNQUFTGYNSGH-BBRMVZONSA-N	233.399	4.552	0	10	BJAE	
CCc1ccc([C@@H](CC)N[C@@H](C)CC(C)C)cc1	37260283	QPXIMTJTNXMGOC-WMLDXEAASA-N	247.426	4.724	0	10	BJAE	
c1ccc(Cc2ccc3c4c(cccc24)CC3)cc1	54244976	JTAHNLOODJBCHW-UHFFFAOYSA-N	244.337	4.529	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C2CCCCCC2)cc1C	87947172	CZFDTSWMMAQHJF-KRWDZBQOSA-N	245.410	4.582	0	10	BJAE	
CC[C@@H](C)c1cccc2cc(C(=O)C3CC3)oc12	88071825	VNOYPHRUOFUUAB-SNVBAGLBSA-N	242.318	4.539	0	10	BJAE	
CCC[C@H](N)c1cc2cccc([C@@H](C)CC)c2o1	88074879	RCZWEOMAWOTGSM-FZMZJTMJSA-N	245.366	4.746	0	10	BJAE	
Cc1cc2ccccc2c2ccc3c(c12)CCC3	95817256	YKHZJWYHULWAPA-UHFFFAOYSA-N	232.326	4.790	0	10	BJAE	
C/C=C\C[C@H](CC)c1cc(C)cc(C)c1	107483143	DCCDTSXMXREAFS-VSKVDJIOSA-N	202.341	4.763	0	10	BJAE	
CCC[C@@H](CCCN)c1ccc(C(C)(C)C)cc1	107537504	XPVHKZZZBHIJGM-AWEZNQCLSA-N	247.426	4.607	0	10	BJAE	
CCCCC[C@H](NC)c1ccc(C2CCC2)cc1	128829948	NCJQMRZTVCTHAR-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CC(C)CCC[C@H](CNC(C)C)c1ccccc1	155726644	PELPHVBZWAHZHM-QGZVFWFLSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@@H](C1CCCCCCC1)C(C)(C)C	159107921	LCWDBRUOJCUULV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)[C@H](O)c1c(C)ccc2ccccc12	160965538	ODDGDKVCZZIFDD-DYVFJYSZSA-N	242.362	4.618	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C1(C)CCCC1	162209104	FYAMJPQGKJKXRK-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)(C)C)C[C@H](C)CC	162460291	AFVKIXGYUPGQAF-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
CC(C)CC1(C(=O)c2cccc(F)c2)CCCC1	164094686	BIYUWOXXVVNNGT-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CC(C)CCC(=O)c1ccc(C(C)(C)C)s1	165338886	FLYQYTUIJGTRSK-UHFFFAOYSA-N	238.396	4.665	0	10	BJAE	
C[C@H]1CC[C@H](Nc2ccc(Cl)cc2)[C@@H](C)C1	221642754	VNLXUKHSIXFOGY-MJVIPROJSA-N	237.774	4.577	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cccc(C)c1Cl	229273041	VDQPDVKWKPAPEJ-GWCFXTLKSA-N	240.774	4.508	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)C1=CCCCCCC1	232558854	KCBNMJAOBJHNNA-XTZWMPCRSA-N	249.442	4.992	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CCC(=O)c2ccccc2)C1	252159808	PRIMCIJQFQYEEQ-FICVDOATSA-N	244.378	4.722	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CCCC[C@H]1C(C)(C)C	252583639	YFLSXNFGTUTHIF-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1ccc(Cl)cc1	300909052	RQWHYOOYKFJTTN-ZDUSSCGKSA-N	240.774	4.590	0	10	BJAE	
CC[C@H](N[C@@H]1/C=C/CCCCC1)c1cccs1	302356266	GHOMYZJWMJMHAH-VVYAQTJFSA-N	249.423	4.678	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccc2ccccc2c1	302466951	XAMYYLRNYXFZPH-CXAGYDPISA-N	242.362	4.700	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@@H](C)CC(C)C	302593699	UUNZPKQRGZMXSR-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)C(C)C	304347317	GAKTZCCMURENBL-BFHYXJOUSA-N	238.415	4.556	0	10	BJAE	
Cc1ccc([C@H](C)NC[C@H](C)CC(C)C)c(C)c1	305930372	JQNZAQQCTFYDSS-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
CCc1ccc2c(SC)c(Cl)sc2c1	306774434	JZYAHLCSXOQQIG-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCN[C@H]([C@H](C)CC(C)C)C1(CCC)CC1	310153695	GLTBVBRECZGELO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1ccccc1C(C)C	310364657	VBMLQZJGFAOYTP-XJKSGUPXSA-N	233.399	4.507	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1ccsc1Cl	312511144	ASKPDAODENBSMH-KOLCDFICSA-N	245.819	4.618	0	10	BJAE	
CCCNC[C@]1([C@H](C)CCC)CCCC[C@H]1C	317403843	BCHFXGSYIYJUOB-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCC[C@H](O)C(C)(C)C1CCC1	322212512	QDNMMSWCTIIHCL-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C1CCCCC1)C(C)C	380187612	ZENLAWZIBOJSCC-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(C(=O)C(C)(C)C(C)(C)C)cc1C	380962697	TYHMMPUHENULLW-UHFFFAOYSA-N	246.394	4.867	0	10	BJAE	
CC[C@H]1CC[C@](O)(CCCCCC(C)C)C1	383131571	DCFUQGWGBGIYRA-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCCc1cccc([C@@H](N)C(C(C)C)C(C)C)c1	385403306	NQLZOPLRUOSHNJ-QGZVFWFLSA-N	247.426	4.567	0	10	BJAE	
Cc1ccc(NC[C@H](C)C2CCCCC2)cc1F	386145527	BSWDDLLTQPFDRH-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cccc(C(F)F)c1	386190617	PWXJIBFPUFZAJK-MFKMUULPSA-N	239.309	4.615	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCC12CCC2	394791932	XHOXJBYUGCOEEA-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](CC)C1CCCC1	395616372	GQCQWBYQXDPISY-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
CCc1c(C(F)F)ccc2cc(C)sc12	396198816	LCZAJOVRDDKDRX-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1sc2cccc(C(F)F)c2c1CC	396218849	HMIWPVUPQNVQDM-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNCCCCC(C)C	401960786	NZPUOHLIYWSCIX-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@@H]1CC=CCC1	402231660	YBQIGQBIULWVLP-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C[C@H](N)CCC1CCCCC1)C1CC1	405723772	IZGWIIVQHDBMGC-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CNc2ccc(C)c(C)c2)CCC1	687523938	RAKJTPGYEFQGJV-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
C[C@H](Nc1ccccc1C(C)(C)C)C(C)(C)C	687711334	GUZZVEIXPGILSH-LBPRGKRZSA-N	233.399	4.831	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)CC1CCCC1	689831755	MTUHUAYFUPBDTN-HOCLYGCPSA-N	239.447	4.904	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H](C)C1CCC1	690204365	JSZKCSCNNDWVNS-CYBMUJFWSA-N	245.410	4.720	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCCCC[C@H]2C)c(C)c1	691136513	IAPMMQKTJHLSSG-CZUORRHYSA-N	245.410	4.993	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1NCCC(C)(C)C	691170528	VCOFWFRHBJIZJA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C(=O)CC2CC=CC2)CC(C)(C)C1	692154468	JNDUWWSYGKNXOR-UHFFFAOYSA-N	248.410	4.764	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@H](C)C(C)(C)CC	695152182	JCAHYVUCXZUUHK-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCc1cc(C)sc1C(=O)CC(C)(C)CC	696599738	KBTASGWNMIASMD-UHFFFAOYSA-N	238.396	4.628	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CCC(C)(C)CC)C1	696715020	YGFIASSEUKNHHU-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CCC(C)(C)CC	696799232	JNXDRJMGXODQFS-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CCC=C(C)C)C1	697836269	QDZTWNJHCJVLBV-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CC[C@H](C)C[C@@H](C)Nc1cc(C(C)(C)C)ccn1	699604679	FAZXPELXJSTDSX-QWHCGFSZSA-N	248.414	4.616	0	10	BJAE	
CCC(C)(CC)[C@H]1C[C@@H](C)c2ccccc2N1	701141184	WMSXIBDUBYLEBB-IUODEOHRSA-N	231.383	4.801	0	10	BJAE	
CC(C)c1cccc(C(=O)C2C(C)(C)C2(C)C)c1	701576098	DORQVSBDYNHUFH-UHFFFAOYSA-N	244.378	4.675	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)[C@@]1(C)CC1(C)C	702222009	DRJQPZSZWAFPMZ-DOTOQJQBSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(N)CCC2(CCCC2)CC1	704467317	XFBBEMLSTORZHU-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCc1ccc([C@@H](NC)[C@@H](C)CC(C)C)cc1	704752307	JLTXBUNTJRPSNC-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CCc1ccc(N[C@H](C2CCC2)C2CC2)cc1C	705321921	AMQVVQNGDXXDEL-QGZVFWFLSA-N	243.394	4.548	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H]1CCCC12CC2	706202425	YIPFEAYKDAIUQU-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@H]1CC2CCC1CC2	707608471	PWAZKBFCTQCEKN-OKEQZYBDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@H](C)CC(C)(C)C	708254708	MQBAQRISJVEJBO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1cscc1[C@H](O)C[C@@H](C)CC(C)(C)C	709234772	KOYDPUJENZIWJD-ZWNOBZJWSA-N	240.412	4.552	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccc(C2CC2)cc1	709659302	NOTCGLQUOPIYQY-GFCCVEGCSA-N	231.383	4.801	0	10	BJAE	
C=C/C=C/CCNc1c(Cl)cccc1Cl	713723853	ZTMSZKHCLRFGPB-ONEGZZNKSA-N	242.149	4.538	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)C[C@@H](C)CC(C)(C)C1	718744113	YVLGRCUGIGTVNT-XJKSGUPXSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](C)C[C@]1(N)CCCCCC1(C)C	719192229	NAWYBMZASGPOLK-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCC1(C2CC2)CC1	720953686	HFAOWYHTVBQACG-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CNc1ccc(-c2cccc(CC(C)C)c2)cc1	723885989	FBGQKOPCQAEWGX-UHFFFAOYSA-N	239.362	4.594	0	10	BJAE	
C1=CCC(CSCc2ccccc2C2CC2)C1	1307330843	FVXLLJREOSKYHO-UHFFFAOYSA-N	244.403	4.763	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1CNC1CCCCCCC1	1659239251	CDRUQCIFEQLADW-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC[C@H]1C[C@H](CC)CCC1=O	1900712230	HZNSZARKKKVVTA-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CC[C@H]1CC(C)(C)CCC1=O	1900713968	SQIZHAAOPUFHSE-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)CC1(N)CCCCCCC1	1905302242	HQLVICYDQXBDCF-AWEZNQCLSA-N	225.420	4.645	0	10	BJAE	
CCC[C@@H](CC)CC1(O)CC(CC)(CC)C1	1905397741	IGMQLZKBETXKSR-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CC(C)c1ccccc1NCCC[C@@H]1C[C@H]1C	1908546596	GYLCYGLDTDLVPW-ZIAGYGMSSA-N	231.383	4.658	0	10	BJAE	
CCC(=C[C@H]1CCC[C@@H](CC)C1)CNC(C)C	1911910898	LOCDHWAKDOZOGT-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C1CC(CCC)C1	1921303574	GAMHVZYUQCGUCI-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)CCCC1(C)CC1	1924118584	JDISYGJEDNCBGM-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CO)[C@@H](C)CCC(C)C	1937168740	IYFGQIBYSHRIGF-LSDHHAIUSA-N	228.420	4.638	0	10	BJAE	
CCCc1csc([C@@H]2C[C@@H](C)C[C@@H](C)C2)n1	1937457893	MDGHPOCAQQMXGQ-GDNZZTSVSA-N	237.412	4.635	0	10	BJAE	
CCCCC(=O)CCC1C[C@H](C)C[C@@H](C)C1	1939116911	FUQZFWDUKYCWRM-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCCCC1(CO)CCCC1	1939542892	SLEIXHPTOINJMW-UHFFFAOYSA-N	226.404	4.536	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)CC1(C)CCC1	1940797337	KEXUPTJLGXPCTO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)C[C@@H](C)CC	1940857734	ZMZFGGNKJZILFO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@](O)(CCCC2(C)CC2)CC1	1940870898	XYACEUHMVANWBM-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@]1(CNC(C)C)CC=CC[C@H]1C	1940944230	NQUNKWMYODFJGP-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1cccc2ccsc12	1941252991	SIGKBCWLEGOTAW-GXTWGEPZSA-N	248.391	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CCC1=CCCCC1	1941267945	YQDNXVLECLFHJR-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC1CCC(F)CC1	1944534624	MOJCPTQMOGIGMY-HIFPTAJRSA-N	242.378	4.546	0	10	BJAE	
CC1(CNC2(C)CCCCCC2)CCCCC1	1945613236	FSGWRMUCBCEOND-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
C1=C[C@H](Cc2ccc(C3CCC3)cc2)CCC1	1947553085	VBKOCSXODDOFOQ-AWEZNQCLSA-N	226.363	4.853	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@@H]1C=CCCCCC1	1948323750	RMGDCRCRUWTRST-HRCADAONSA-N	237.431	4.536	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C1=CCCCC1	1948974940	QZDMIGLTKYCPAH-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCCC[C@](C)(N)CC1C[C@H](C)C[C@@H](C)C1	1949059901	IGJMHOSVKJVSPL-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CCCC=C(C)C)CC1CCCCC1	1949920253	YPORBSJDUUHOLU-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC1(C[C@H](N)[C@H]2CCC[C@@H](C)CC2)CCC1	1950931825	ZNAWMVALUVLYJY-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CNc1ccccc1C1CCC1	1967843573	NOGWIFJDRRFDJK-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
C[C@@H](CNc1ccc(C2(C)CC2)cc1)C(C)(C)C	1967844278	LLDLOEQJMQOYBX-ZDUSSCGKSA-N	245.410	4.832	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCCC(C)C)cc1F	1968319491	YQPVFWSQSGWXIQ-ZDUSSCGKSA-N	237.362	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1NC1CCC2(CCC2)CC1	1968829034	AIPFTULNCXVWCD-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cccc(C2CCC2)c1	1971533056	JMTHVDBEYKXWIK-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CC1CCC(CN[C@@H]2CCCCC23CCC3)CC1	1972829429	KDTJOGIFCJNHRB-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@H]1C[C@H]1C1CCCC1)C1CCCCC1	1973328395	YFOIPOZMPCXZJD-ULQDDVLXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)C23CCC(CC2)C3)C1	1973847147	GMQNAEGCEBJMSU-YKDOHLLJSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](C)(CNCC)C[C@H](C)CCC	1978638435	LYCUFWSRQZIUDS-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
C=C=CCCCC1CCC(C(F)(F)F)CC1	1985446055	DXMQXIZFOVXZNH-UHFFFAOYSA-N	232.289	4.867	0	10	BJAE	
CC(C)=CCC[C@](C)(O)[C@H](C)CCC(C)C	1988796023	ZFYFNMABISCREN-CABCVRRESA-N	226.404	4.556	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)CC1CCC1	1990089951	SEIUEQIEIVPUMJ-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCC(F)(F)F	1995214673	NYMCJNDODYXZTP-JTQLQIEISA-N	238.293	4.505	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCC1(C)CC1	1995265427	ZAGYKRMJTASQCL-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C)Cc1coc2c(F)c(Cl)ccc12	1995462785	BMCHPTIXJWGRAW-MRVPVSSYSA-N	240.705	4.814	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)N[C@@H]1CCCC(C)(C)C1	1995645753	UHDOCZKYYBEZMA-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC[C@@H](C)C1)C1CCCCC1	1996234958	HTNMJKUMDYQZKL-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@@H](C)C1)CC(C)(C)CC	1996273083	YADFXJUFTDMQSG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(CCCN[C@]2(C)CCCCC2(C)C)CC1	1997421603	IHDQVNQCCXBLPX-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)[C@@H]1CCCC(C)(C)C1	2000161805	LDQYSGMPGJTWID-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1CCCC(F)(F)C1	2000191367	AWVASMLRWBCCOS-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCCCCC2)cc1	2000219878	YJLUKLRUAFZFOO-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)[C@@H](C)[C@H](C)CC	2000513344	IPSHBYOXFWLKTR-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@H]1C=CCCC1	2000523417	ORIZWEBBRYDVPU-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@@H]1CC12CCCCC2	2001212854	CAMIEMWITHVPJU-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@](C)(O)[C@H]1CCCC(C)(C)C1	2003007483	QGNWCHYWNTUWMX-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CCCC2CCC2)C1	2003014814	CGCHJZNCQASFSD-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC1CC(CCNC2CCCCCCCC2)C1	2003099700	MYQRBBHYTKMVHC-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC1CCC([C@@H](O)C(C)(C)C)CC1	2003109660	XDZSWUXWYJXOON-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@H](CC1(C)CCCC1)NC	2003183911	FCKOGHJUUPVCGC-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H](C)CC(C)(C)C	2004234694	SOIFCDUUOKDVGY-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](CCC2=CCCCC2)C1	2006662926	FPLZXKRWVSCPGR-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@H]1CCC[C@H]1C(C)C	2007623901	XVYBIQYMBAREEE-KKUMJFAQSA-N	238.415	4.700	0	10	BJAE	
CCC1CC(C[C@@]2(O)CCC[C@H](CC)CC2)C1	2007760674	NPHICBMWZOEQDJ-SLTXQBBLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(C=C2CCCCC2)CC1	2007926332	NOWFRGCBBGAOPH-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@]1(N)C[C@H](C)CCC1=C(C)C	2009570209	YFZZNQKEUBRRPM-GDBMZVCRSA-N	235.415	4.587	0	10	BJAE	
C/C=C/CCC[C@H]1CCCCCCC[C@H]1NC	2009611746	NEYBFZYLHMNLBV-MEGKRXCUSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](NC)C1=CC[C@H](C(C)(C)C)CC1	2010712634	JTVHCNNJXRMYFO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@@H](C)CC	2010716849	XJFASMOVTZQCFY-DZKIICNBSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCCC(C)C)CC(C)(C)C1	2012064180	UBFCIHMZSGDGII-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@](CC)(CCC(C)(C)C)C(C)C	2012415863	FWHNSKZWDSFBRK-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CC(C)[C@H](C)CC(=O)[C@@H]1CCCC(C)(C)CC1	2015385678	GVUQKHXHEWYBGM-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCC1(C(=O)CC(C(C)C)C(C)C)CCCC1	2015385709	HHTJSBPMNQLEJZ-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC1CC(C(C)C)C1	2016117827	SAOGSDRFQZWOGO-UYSNPLJNSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](O)(CC)C2CC2)CC1	2017651396	SREWJLGTFNCQON-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@H](N)C(C)C)CC1	2017733953	PNDYURVNJIWQII-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1CCC[C@@H](C)C1	2018128450	ARBVCOMZDFMKBF-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](CC)NC[C@]12CCCC[C@H]1C2	2018138357	GDKMUVXAAGFPOQ-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC[C@H](C)C(F)F	2018188453	SCVJTIDRQGHMTC-QWHCGFSZSA-N	249.389	4.568	0	10	BJAE	
CCC[C@](N)(C[C@]12CCCC[C@H]1C2)C(C)(C)C	2018571742	UQWMQMGHQSVQIG-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CC1(CCC)CC1)NC	2018995497	PHEVSNLOFRYQPM-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCCC1CC(N(C)C[C@H](C)CCC)C1	2019298868	DCKYUQSTMJXDBW-QQFBHYJXSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H]1CCCC[C@@H]1CC	2020973276	DLERHSAMXUVTDG-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC[C@@]1(CCCCC(C)(F)F)CCCCCN1	2023293856	BQQHCGPILWSOOS-AWEZNQCLSA-N	247.373	4.514	0	10	BJAE	
CCCNCCCC1CC(C)(C)CC(C)(C)C1	2024101759	NBMGBKQPXAZGNE-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCCC(C)(C)C1)C1CC1	2024128197	KXSLELVGNCEQIO-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC1(CC[C@@H]2CCNc3ccccc32)CCCC1	2027308157	ZYWRBMIOQRHOJT-CQSZACIVSA-N	243.394	4.946	0	10	BJAE	
CC1(C[C@H](N)C23CCC(CC2)CC3)CCCCC1	2027313725	INJGALUPJOHAFR-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1ccc2ccccc2c1	2028267439	ZJTXIBUNFUBLBR-IAGOWNOFSA-N	241.378	4.522	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCC1CCC=CCC1	2028890504	YATKGAUQLJTVNF-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1CC1)[C@@]12CCCC[C@H]1CCC2	2031755590	WZZISEBKJBWROL-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC[C@H]1C(C)C	2035401731	YZZHYRAMYNJRII-HOTGVXAUSA-N	245.410	4.794	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)c1ccc(C(C)C)cc1	2035425704	ACARVMVSVRLNCZ-DOTOQJQBSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)C1CCCCCC1	2035600579	MIDNNJRMVDCXES-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C1CC2(CC2)C1	2036189692	MJBJKCVPFCTPLU-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC/C=C/CN[C@@H](CC(C)C)c1ccccc1	2036762946	IUIZBVWSFDYTQF-BHMZLHOFSA-N	245.410	4.720	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2CCC23CCC3)cc1	2037479160	VTIDLNFXUKFQPN-CZUORRHYSA-N	243.394	4.945	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1[C@H]1CCC2(CCCC2)C1	2037705521	VHNWWAXLAWVEKH-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2038624085	XWPNFSQWRSEZJU-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
CNC[C@]1(C2CCCCCC2)CC12CCCCC2	2039004161	XSHHXONPPOZBMN-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(F)cc1C(=O)[C@H]1CCC[C@H](C)CC1	2039378610	YCFNSKCTIDIRIG-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
C[C@H](NC[C@H]1CC=CCC1)C1CCC(C)(C)CC1	2040638746	NYDBMQAAUGOTTM-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(N)CCCC3(CCC3)C2)C1	2045392465	VCQRGJWYFZIRQG-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C1CCCC2(CC1)CC(NCCCC1CCC1)C2	2046230956	ZTPQNSKZSZAGMJ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@](C)(CNC1CC1)C[C@@H]1CC12CCCCC2	2047012985	SAWKXYJFDUMTHT-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@]1(C[C@@H]2CC23CCCC3)CCCCCN1	2047020367	PCSQOBVKUJVDOC-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CC([C@@]2(N)CCCC23CCCCC3)C1	2048628697	YFWANHIMQOINEB-DQPZFDDXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@H]2C=CCCCC2)C1	2049497023	ZASAPMUTQYDYSJ-HRCADAONSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)CC1CCC2(CC1)CC2	2049851933	AWNZFJNHRFQFGB-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)CC1CCC2(CC1)CC2	2049934335	WKPLPPWJAIZRMB-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2CCC3(CC3)C2)CC1	2049947485	GYJTXJHDCHIABR-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC=C(C)C)c1ccc(C(C)C)cc1	2051397569	BJVMXBQTEGUWHE-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CN(CCC1CC1)C1CCC2(CCCCC2)CC1	2051646443	SQHXMFDXMPUMGF-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@@H](N[C@@H](C)C1(C)CCC1)c1ccccc1	2052348568	LDUMPWBKGCSMLJ-GOEBONIOSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@H]1CCCCC12CC2	2053415552	JSTSZOPOVKZDSC-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC1CC(C2CCC2)C1	2056638778	AEXZDBWTPADQFQ-LYSZQXJVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C=C2CCCCC2)CC1	2056872396	CHPZJTILTZGYAN-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
CCc1cc(Cl)c(Cl)cc1C(F)(F)F	2060074693	ULJFCQQGCQTYHC-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC[C@@]12CCC[C@H]1C2	2061606429	LMOVBPAQPNNUCC-XJNFMUPTSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC(NCC23CCCC2CCC3)CC1	2063902572	GCJGZESUCYCVTB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CC23CCC(CC2)C3)C1	2065274908	NPNHFMQHXFBEAR-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@H](C)CC(C)(C)C)c1ccc(CN)cc1	2067344277	LLMUGEOBRNXMMZ-ZDUSSCGKSA-N	245.410	4.621	0	10	BJAE	
C[C@H](NCC1CCC2(CC1)CC2)C1(C)CCCC1	2067508088	IQMRHDWRULLMPX-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)[C@@H]1CCC1(C)C	2068244774	NFDHMERWGSRLBY-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2CC23CCC3)cc1	2069180823	AVUKPWFEAAABKK-DZGCQCFKSA-N	244.378	4.769	0	10	BJAE	
c1cc(NC[C@@H]2CC23CCC3)cc(C2CCC2)c1	2069199190	BSTMHBPGVCDPSY-HNNXBMFYSA-N	241.378	4.556	0	10	BJAE	
CC(C)c1ccc(C(=O)C2(CC3CC3)CC2)cc1	2069499266	DOHAKJZMVBIDIG-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@]23CCC[C@H]2C3)CC1	2070928376	ZEDRZLHFIVMTFJ-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
CC(C)C1(CC(=O)C2CCC3(CC2)CC3)CCC1	2071914482	DEHTXRUROKQRLH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)C1(C(C)(C)C)CCC1	2071936377	MLQXCOGQNJTGJJ-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C=C2CCC[C@H](CCN)C2)CCC1	2071952969	HYSCUTGNQRVWHR-CQSZACIVSA-N	249.442	4.668	0	10	BJAE	
Cc1ccc(NCC2(C(C)(C)C)CCC2)c(F)c1	2071954321	URWMQFXGFBVRPP-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C12CCCC1CCC2	2072425835	OYJXHGAGEMQCKU-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)C23CCC(CC2)C3)CC1	2072810540	WXCPGWYTSLIJPH-ZPBWDRIISA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)C=CCC(C)(C)C2)CC1	2072819082	BXAOOMBHPWIIBV-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CCC[C@]1(C[C@@]23CCCC[C@H]2C3)CCCCCN1	2074028965	KRQJCPYCOQCPGR-YESZJQIVSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@]12CCCC[C@@H]1C2	2074038721	QERVFZWXHIUISD-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCC12CCC(C)CC2	2074898362	CAYQULDQSAXHBT-JCCCHCCOSA-N	249.442	4.610	0	10	BJAE	
CCCCN(C[C@H]1C=CCC1)C1CCCCCC1	2076547190	MIVKHNNOCJWPBO-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@H]1C[C@@H]1C1CCCCCC1	2079493032	VEFCTEFWTALWEX-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(C[C@H]1C[C@H]1C1CCCCCC1)C1CCC1	2079830422	AZBRSLBLWLFJSB-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CC1(CCC[C@@H](N)[C@@H]2C[C@H]2C2CCCCC2)CC1	2079837800	CKINMTZAITWVAL-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN1CCCC12CCCCCC2	2079900817	TZDHGRPVHZDFAV-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(C)c(-c2cc(Cl)cs2)c(C)c1	2080278395	ZXXFYTVIAMJLNO-UHFFFAOYSA-N	236.767	4.994	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)C[C@H]3CC[C@H](C3)C2)C1	2082981320	CFTNGDMKHGMLMK-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1C2(CCC2)C12CCC2	2083533868	RAKGPAGTHXOJGI-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H]1CCCNC12CCCCC2	2083808879	KEUFFYRIKBGFSK-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](CCC)CNC1CCC1	2212576102	IXTMZDDGACBWQV-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@H](CN[C@@H](C)CC)C(C)C	2212583808	JHJDYRJEQDABDO-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCCC[C@@H](N)C1CCCCC1	2214766256	VLFNGKXBNXZRRY-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@]1(C)C[C@H]1C	2214995645	ATYARFTUKMVGPM-BMIGLBTASA-N	247.769	4.649	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC[C@@H]1C[C@H]1CC	2215346397	PVHHUNNVSJBTIA-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CC1(C)CC2(CCC2)C1	2215399881	AAEXKJMOVHZUNU-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NCC1(C2CCCC2)CCCCC1	2217138421	MMVXOKLXKSCFNQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1C[C@H]2CCC[C@H](C2)C1	2218332201	NGDWUEZZHIKVBD-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC)c1ccc(CCC(C)(C)C)cc1	2218534808	PNKIEKIVXHDQIX-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)CC1(C)CC2(CCC2)C1	2221040626	PFVVUCXIVRKTOP-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CC(C)C1)[C@]1(C)CC=C(C)CC1	2221632814	RNXIIBNJBFJDEN-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@H](CN[C@H]2CCCC(C)(C)CC2)CC1	2221668818	RIUIQGSPIWOUCU-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCC(CCC)[C@@H](NC)c1c(C)cccc1C	2221994995	OEUZYRVZDWWKDZ-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
C(CCCC1CC1)CCCN1CCCC2(CC2)C1	2223107017	DCZWXFSQMSAJBS-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCCCCC(=O)CCCC[C@H]1C[C@@H]1C	2243067123	QLXLGSCDFJCQFH-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H]1CCC1(C)C	2243198757	LMDCXUJGWPLNFW-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@@H]1CCC12CCC2	2247415673	GMKLUGSFWUABHQ-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@](C)(N)CC[C@H]1CCCC12CC2	2247601802	MMNDKPLOVJDECO-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCc1ccccc1NC1CCC=CCC1	2249270180	GRUTYFWYHXIOTO-UHFFFAOYSA-N	229.367	4.550	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@]1(N)CC12CCC2	2250475765	MBDRJIWBQVCIEE-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@]12CCC[C@H]1CC2	2251212497	RQLGOQNPKBIGDL-JYJNAYRXSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)(C)[C@@H]1NC	2251701102	MSXGHBOBZXSKOJ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc2c1N[C@@H](C[C@@H](C)C1CCC1)CC2	2253867001	SEBIAFCLXYVUSK-CZUORRHYSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@@H]2C[C@@H]2C2CC2)C1	2253920778	UZLANRGHTLUSQL-GKLJAUDBSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(N)CC1CC2(CCCC2)C1	2254112998	HZBUNXRTBVFQIY-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](N)CC2CC3(CCCC3)C2)CCCC1	2254119185	JPJQPABVJIPIRO-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@]1(C2CC2)CCCCCN1	2254512289	OBGPUHRJTWJOCY-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1OCCCC[C@@H]1C[C@@H]1C	2254543813	NBAGKMBSGSCGEW-GOEBONIOSA-N	246.394	4.844	0	10	BJAE	
CCc1ccc(N(C)CCCC[C@@H]2C[C@H]2C)cc1	2254580651	FEUSWAUKKCZANJ-GDBMZVCRSA-N	245.410	4.512	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CCCC[C@@H]1C[C@H]1C	2254587453	QOHNZGYQARDWMV-BZUAXINKSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	2255020503	ZQDOYZJOEIVUGM-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CCCNCC1(CC[C@H]2CCCC23CC3)CCC1	2255256708	QXSLUXDZLOTXSI-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1CC[C@@H]1CCCC12CC2	2255267769	QMTVAXHHMOMYJY-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCC2(CCC2)C1	2256141127	ZIYSMIMRQONGKT-CYBMUJFWSA-N	247.357	4.523	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@H]1C)[C@@H]1CC=CCC1	2257303103	LGRNMOGODHJNNF-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@@]1(C)CC=CCC1	2257304937	DCFYSNSYQKNNJH-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)c1ccc(C2CC2)cc1	2259436739	IIJYBBYEBYZMDN-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](CCC)c1ccccc1	2259461710	AWYVYVAXVWEGOJ-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
CC1(CNC[C@@]23CCC[C@@H]2CC3)CCCCCC1	2260532323	DJUWQRRWMYUUJH-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)C[C@@]12CCCC[C@H]1CC2	2260677353	FDPVINGHNBIASK-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)CC[C@@H]2C[C@H]2C)C1	2298256103	DAEYTUWHYTXBGC-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H](C)CC1CCC1)CC(C)(C)C	2298858601	PTCLBSDIXKJURU-VNHYZAJKSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)CC(C)C	2300458716	MCLMJMDOBGOXBX-CQSZACIVSA-N	233.399	4.965	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(N)CCCC(C)C)CC1	2300500296	FDTCADCUHMFZPT-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCNCC1(CC=C(C)CC)CCC(C)CC1	2300860960	MKCVNFVTXBXNDQ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC(C)=CC[C@H]1CCCC[C@H]1CNC(C)C	2300901335	IKHNGBXBIQOSLD-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC[C@H](C)[C@@H](C)C(C)C)C(C)(C)C	2301845607	YZVYPLVRJVCSGA-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(O)CC[C@H]1CCC[C@@H](C)C1	2301903774	XBGPFKSOWFGGIR-QXSJWSMHSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H](C)[C@](C)(N)CC[C@H]1CCC[C@@H](C)C1	2301941860	LZHAXBOTJHOFLM-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CC[C@H](CCCC2=CCCCC2)C(=O)C1	2302302434	ZVEAZISCNHHXJA-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)CCCC1=CCCCC1	2302313575	RFCUJIWAKGWFSB-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CCCC1=CCCCC1	2302362064	UWMCHZZJZCFMQB-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CCC[C@H]1C[C@H]1C	2302610522	WXGFMVDYHZWHKW-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)CC(C)(C)C2CC2)C1	2302878691	RLCCNMGBXWJRMB-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2	2302884468	FTFRHRCEDGHMPZ-UVLXDEKHSA-N	249.423	4.547	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303474592	GVGJNXCXYLCYKQ-ZFWWWQNUSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@]1(CNCCC)CCC(C)=C(C)C1	2303480226	IDPVKBPHWSCISS-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CC(C)NC[C@@H](C)CCC[C@@H]1CCC(C)(C)C1	2304447830	RUEQYAXLAXLGEC-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCCCNc1cccc(C(C)C)c1F	2307560329	BNXQRHUYYQHOAB-UHFFFAOYSA-N	237.362	4.941	0	10	BJAE	
CCCNC[C@H](C[C@H](CC)CCC)C(C)(C)C	2307924786	FGWOFGWXAITVPD-CABCVRRESA-N	241.463	4.865	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C)CC1)[C@@H]1C[C@H]1CCC	2311517773	XVZIKFGYSOCSHD-DZUCGIPZSA-N	249.442	4.537	0	10	BJAE	
CCc1cc([C@H](O)C(CC)(CC)CC)ccc1C	2314713997	WYMXVNWLHHNQFK-INIZCTEOSA-N	248.410	4.807	0	10	BJAE	
CC(C)CCC[C@@](C)(O)c1ccccc1C(C)C	2315898802	RXHAAAZBXUZDRG-QGZVFWFLSA-N	248.410	4.844	0	10	BJAE	
CC[C@](N)(CC1CCCCCC1)c1occc1C	2316876771	YLAWPUYFKMCURM-INIZCTEOSA-N	249.398	4.513	0	10	BJAE	
O=C(CC1CCCCCC1)C1CC[C@H]2C[C@@H]2CC1	2317002914	HJZLMPLENBWDDA-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@H](C)C1CCC1	2317931743	LKLYUESVZHLJDC-LBPRGKRZSA-N	249.373	4.797	0	10	BJAE	
CN[C@H](CCC[C@H]1C[C@@H]1C)C1=CCCCCCC1	2318935749	JECKNJDPFSBRHI-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CCC[C@@H](C(C)C)C2)CC1	2320236976	FLDXBHXAWOAMRD-BRWVUGGUSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)C12CCC(CC1)C2	2320257753	IRTYBXLLWWLLHY-YXXKGXSTSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2C[C@@H](N)CC(C)(C)C2)CC1	2320333399	GJUKMRQOHUUEBW-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CC2(O)CCC3(CC2)CC3)CC1	2320339425	DMZVRJFVNBUEGC-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CCN(C[C@@H]1CCC(C)=C(C)C1)C1CCCCC1	2320387120	DKPUDECCGXVISK-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCC1CC(C[C@@H](N)C[C@@H]2CCC(C)=C(C)C2)C1	2320394372	OXOGZHYJQKUBMY-MYBQVCMBSA-N	249.442	4.667	0	10	BJAE	
CC=CC[C@@H](NCC)c1cccc(C2CCC2)c1	2320656129	ZUPWBGGGTCZEJS-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@H](CC1CC1)C1CC1	2320701610	ZFGSNNUMDUKCPC-IRXDYDNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@H](CC1CC1)C1CC1	2320771441	JEWLXVXWODUDRQ-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCCC3(CC3)C2)C1	2321646344	WLYFQVRWVLEQKG-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cccc2c1CCC2	2328214318	WAPDHIPQBOIONE-CYBMUJFWSA-N	244.378	4.574	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc([C@H]2C[C@@H]2C)o1	2328274412	QDUDKSGSKDTVCW-XUXIUFHCSA-N	249.398	4.619	0	10	BJAE	
Cc1cc(C)c(C)c(Cc2ccccc2)c1C	1715600	LNXSPUXTFURRHY-UHFFFAOYSA-N	224.347	4.511	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@@H](C)c1ccccc1C	20557221	JNGDQTXKRXESEE-VNQPRFMTSA-N	247.426	4.860	0	10	BJAE	
CCC(=O)c1ccc(-c2cc(C)ccc2C)s1	36927456	ZYAZIZKPFWGCRO-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C)c1ccc(Cl)s1	37284603	IFDYEBBIPAABGH-NXEZZACHSA-N	245.819	4.631	0	10	BJAE	
NCCC=C1CCCCCCCCCCC1	69050524	IAHLYDZSAPHHCR-UHFFFAOYSA-N	223.404	4.566	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cccc(SC)c2)C1	71104527	OAPUTBGWHCTOSQ-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
CC(=O)C1(c2ccc(C(C)C)cc2)CCCCC1	71559341	JJAJSZZIMSKQGS-UHFFFAOYSA-N	244.378	4.601	0	10	BJAE	
CCCCCCc1ccc(C)c(Cl)c1	78838618	ZBBCYDYHFNIXGC-UHFFFAOYSA-N	210.748	4.771	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1C[C@H](C)CC[C@@H]1C	85098727	OHLYJIPSPIDBRZ-WWGRRREGSA-N	245.410	4.794	0	10	BJAE	
CCN[C@H](c1ccccc1)C1CCCCCCC1	86579168	WIDWTJYOYXBIHG-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
C[C@H]1C[C@@H](CC2CCCCC2)c2ccccc2N1	92344733	JTWWGPXLICGBTJ-ZFWWWQNUSA-N	243.394	4.945	0	10	BJAE	
CC[C@H](C)C[C@H](O)C(CC)(CC)c1ccccc1	103943250	WVGNZRJMQROXNH-HOCLYGCPSA-N	248.410	4.542	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)c1ccccc1C	109725484	ALKIMHSGTSTYQK-RHSMWYFYSA-N	247.426	4.862	0	10	BJAE	
CC[C@@H](NC1CCCCCC1)C1CCCCC1	109953175	VZSIGTRGHPUBLN-MRXNPFEDSA-N	237.431	4.658	0	10	BJAE	
CCCNC[C@H](C)[C@H](C)c1ccc(C(C)C)cc1	132971594	KUINWHYZSXWQJR-GJZGRUSLSA-N	247.426	4.549	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)C2CCCCCCC2)c1	158931838	BKTBCYIDDSRIBH-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NCCCCCCC(C)C	163778728	KXCJTIFVVYEZOB-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@]1(O)C[C@@H](C)CC[C@H]1C(C)C	165571804	GJCRTXSMZBPVJR-JYJNAYRXSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C(=O)C1CCC(C)CC1)c1ccccc1	165964560	DARKISGROMWSRP-AVVWSFFYSA-N	244.378	4.576	0	10	BJAE	
CCCCC[C@H](NCC)c1cc(C)c(C)cc1C	168640025	HPCXBSIBEDQZLA-KRWDZBQOSA-N	247.426	4.843	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@@H]1CCCCC1(C)C	226879491	SBHQEVYZVURVHS-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1scc(C)c1Cl	233274798	QMTGBWIHEWHPEO-MRVPVSSYSA-N	244.787	4.719	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@@H]1CCCCC[C@H]1C	251188007	YLVDEHMULLJHFK-HLLBOEOZSA-N	245.410	4.614	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	251372426	QRNUOVYHAGGVNC-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
O=C(CC1CCCC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	253186304	IRCPLWHLUZYEDF-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CC(C)Cc1ccc(C(F)(F)C(C)C)cc1	259042396	TYSDYBFMGBBULQ-UHFFFAOYSA-N	226.310	4.633	0	10	BJAE	
C[C@H]1CCC[C@H](C2(CN)CCCCCCC2)C1	302485765	ICTHYBSYRVXGMY-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
C1=C/[C@H](n2ccc3ccccc32)CCCCC/1	305942644	GENBPXOXQGACNZ-ULYATVDSSA-N	225.335	4.703	0	10	BJAE	
CSc1ccc2c(C)csc2c1Cl	306872782	WCMXVEAJLAOUPY-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1c(SC)sc2cc(Cl)ccc12	306907341	DPALRZAGTLIQPA-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC(CC)CC	308032871	PXPSUSXDJVPXRZ-HUUCEWRRSA-N	228.420	4.636	0	10	BJAE	
CCCNC[C@H](CCC)C[C@@H]1CCC[C@H](C)C1	310384934	HNDNCYFYQATOTN-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H]1CCCCC12CCCC2	310775819	QILWTRNOTAWZQX-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@](CCCC(C)C)(CNC)C1	317253557	UMWSRQQJKLSWRY-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(CNC(C)(C)C)CCCC1	319500910	BMMIGVGEJHHLDM-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)CCC1CCCCC1	319853893	NSDPDYFYIPYKKE-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCC1	324615838	AHLNKFRCJHKYJW-DZUCGIPZSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](NCC1=CCCCC1)c1ccccc1	379591802	YFPPFXWLMGDQMC-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
CCCC1CCC(O)(CCCC(C)(C)C)CC1	382668114	ZWTYMKLKLITLJP-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CCCC(C)(C)C)C1	382693449	RHLOSALFZAVYRZ-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@@H]1CNC(C)C	383206969	PDWKPPRRUYGJKD-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@H]2CCCC2(C)C)C1	383426974	BAXIMRHIPZGXPC-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)CC(C)(C)C	384763845	OJXLMCFMNZBONR-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CCCN[C@H](C[C@H](C)c1ccccc1)[C@H](C)CC	385021093	XKSJRPDVZWWYNO-HLLBOEOZSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cscc2C)CC1	387352777	SJWHVMPCVYTSOH-OLZOCXBDSA-N	237.412	4.827	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1[C@@H](O)c1ccccc1C(C)C	387732791	STECQUPWKPEGCS-XYPHTWIQSA-N	246.394	4.526	0	10	BJAE	
CC[C@H](C)CCNc1ccccc1OCC(C)C	394415208	SXRUGCMRAXZGGB-AWEZNQCLSA-N	249.398	4.570	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCC1(C)CCCCCC1	394658240	RBZFGQCVKCMCNX-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)/C(=C\C1(C)CCCC1)CNC(C)(C)C	394692980	QDIVRAONOUBCBT-KAMYIIQDSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC1CCC(C)CC1	395119285	JDRWVVCWGPEOKP-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](CCC)C(C)(C)C	395324801	ORTQYQWNWXFHOC-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCc1ccccc1[C@](O)(CCC)C(C)(C)C	395392199	YFERVSVXLBPVCE-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CCc1c(S)cc2ccsc2c1C(F)F	396248019	PPHHGUSICSNRSK-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
Cc1sc2c(C(F)(F)F)cccc2c1S	396306808	QGBVFZJPRWYPRD-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@@H](C)CC(C)(C)C	398910449	LBQFSRKEQCCJSG-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@H](C)C(C)(C)C	399237175	CRZBFGKFKMRAER-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
Cc1c(C)c(C)c(C(=O)CCC2CC2)c(C)c1C	400837859	FLGZSUFKIPRYEJ-UHFFFAOYSA-N	244.378	4.602	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1	403667462	UJXWCBZYUBIYQI-XTZTZFPZSA-N	248.410	4.598	0	10	BJAE	
CC(C)C(=O)CCC1(c2ccccc2)CCCC1	686747797	YLKCPSGBXSMKIE-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCC1([C@H](O)CC2CCC(C)(C)CC2)CCC1	687586661	OXUWAUGFPFBRLN-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(=O)C(C(C)C)C(C)C)CC(F)F	688873835	JLKLWJSGPXTRTQ-LLVKDONJSA-N	248.357	4.555	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(O)CC1CCCCC1	689717573	REDJBPODQIWNJB-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](CC1CCCC1)Nc1cccc(Cl)c1	689779095	FJXVXCWBAVMJBR-NSHDSACASA-N	237.774	4.721	0	10	BJAE	
CCC[C@H](C)Nc1ccc(C2CCC2)cc1	690149764	MGQSPQUNMVPNBI-LBPRGKRZSA-N	217.356	4.555	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1NCCC(C)(C)C	691170521	VCOFWFRHBJIZJA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC1(CNCC)CC(C)C1	691408267	XHSZDEREYBEVAR-PCKAHOCUSA-N	239.447	4.619	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCC23CCCC3)CC1	693902091	XSBMHLZXCQYCIK-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H]2CCCC3(CC3)C2)C1	695716898	NDJDIAGHWJTFKD-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccc([C@H](C)NCC[C@H](C)CC)cc1	696175487	PYBPCYJLHIBYSJ-CABCVRRESA-N	247.426	4.726	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1ccc(Cl)s1	696625446	POGQQECXHAJINK-SECBINFHSA-N	245.819	4.618	0	10	BJAE	
CCCc1ccccc1OC1CCC(CC)CC1	699505936	JIKBDGNFOLWRAR-UHFFFAOYSA-N	246.394	4.987	0	10	BJAE	
Cc1c(Cl)cccc1OCCCC1CCC1	702664932	MXJAUOKBUDFZDW-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CC(C)=CCC[C@H]1C[C@H]1c1ccccc1	704571398	BBEAEJXEVVUQIM-GJZGRUSLSA-N	200.325	4.537	0	10	BJAE	
CC(C)CC[C@](N)(C1CCCCCC1)C1CC1	704836233	NXTTXAOOIIXGNL-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)CCCC	704843462	LMRJFCFJJNJQLG-UONOGXRCSA-N	213.409	4.501	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@@H]1CCCC[C@H]1C	704843951	IZPTZMXIRUPDGO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C[C@H](C)CC(C)(C)C	709100996	AQWGDLFZLVSGNW-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(O)CCCCC[C@@H]1C	709193291	MMYSACPUYGMEIN-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@](C)(N)[C@@]23CCCC[C@H]2C3)CC1	709270832	BSCPIJYQQGXOKC-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC(C)(C)CC	710248340	TYGZGDGIENLAQB-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H]3CC[C@H](C3)C2)cc1Cl	710923551	GRAUWTULLUOJQZ-IMRBUKKESA-N	249.785	4.639	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)c1csc(Cl)c1	713127563	IRBAFMMGSOUOHA-JTQLQIEISA-N	246.803	4.507	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)CC(C)(C)CC	713165764	HKPBSGAZDLWWJA-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CC(C)(C)C(C)C)C1	713270499	YAYNELWPVSFVNP-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC(=O)C1(CC(C)C)CCCC1	713331806	WDPSNLLAIWWOIL-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C=C/C=C\CC[C@@H]1C[C@H](C)CC[C@H]1CNC(C)C	713709821	LKOOGKDXBZKQOX-ZHOIPMOUSA-N	249.442	4.559	0	10	BJAE	
CCC[C@]1(CC[C@H]2C[C@@H]2C2CC2)CCCCCN1	714900659	OJOAUJDSVURIKD-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(CCC(C)=C(C)C)CC1(C)C	718647447	JJFRSPKAFBDEBV-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(C)c1cccc(NCCCCC2CC2)c1	720135874	IPMUSXPBJLFHBB-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CC[C@H](CC1CCCCC1)Nc1cccnc1C	720990646	VSLBDRMUIKPAMK-OAHLLOKOSA-N	246.398	4.551	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC2CC(C)(C)C2)C1	723568957	LVZCKEJHAMQOQQ-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](N[C@H](C1CCCCC1)C1CC1)C1CCCC1	723981708	KUHCODWUOUIPEQ-CXAGYDPISA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)CCNC1CCC(C(C)C)CC1	1651486857	NMAUGRDFGGXXAC-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCNCC(=CC1CCCCCCC1)C(C)C	1879302752	YHLXYECQDWUQJS-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCCC[C@H]1C	1900717258	NPHUALPPGYTJQP-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H](C)CC(C)(C)C	1905434008	IWQVXXPWSXUGMB-CHWSQXEVSA-N	226.404	4.844	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](NC)c1cccs1	1905435546	RULVLVDOYXMLJC-OLZOCXBDSA-N	239.428	4.615	0	10	BJAE	
CC(C)c1ccc(NCCC[C@@H]2C[C@@H]2C)cc1	1908568729	SPJHTFDRXALBFC-DZGCQCFKSA-N	231.383	4.658	0	10	BJAE	
Cc1ccccc1NCCC=Cc1ccccc1	1911839631	FCNOPWUHZRLTKC-UHFFFAOYSA-N	237.346	4.510	0	10	BJAE	
CCC=CCN[C@@H]1CCC[C@H](C(C)(C)C)CC1	1911971649	SVFJBGHRLQEEJV-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC=CCN[C@H]1CCCCC[C@H]1C(C)C	1914680491	SUJRRCXDPOHGLK-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@]1(O)CCC2(CCCCC2)C1	1915854129	FUDWGCAEMQWQCQ-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)c1cccc(C2CC2)c1	1919973712	IYHCDQSICKUVJH-GUYCJALGSA-N	246.394	4.598	0	10	BJAE	
CC(C)(C)CCCC1(O)C[C@H]2CCC[C@@H](C2)C1	1923472473	SQVXKNQFDMIHBZ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC(=O)CCC(C)=C(C)C	1926178895	VKOSPIKWRVTLDY-UHFFFAOYSA-N	210.361	4.518	0	10	BJAE	
CCc1ccc([C@H](N)CC(CC)CC)cc1CC	1926389296	JMZDJYJFSALTCQ-QGZVFWFLSA-N	247.426	4.638	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1sccc1CC	1938210318	YWRGZXGSHGSTQH-DGCLKSJQSA-N	240.412	4.560	0	10	BJAE	
CC[C@H](C)CNC1CCCCCCCCC1	1938722375	LCRKQQUVCYFTBR-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C(C)(C)C(C)(C)C	1940866028	XLIHDFVSILIYMP-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC(C)(C)NCCC[C@@H]1CC1(C)C	1940878147	UPHKASBEVRRTPR-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)C1CCC(CC)CC1	1941250466	GKXPRLAYUNZJQZ-CKUJCDMFSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@H](CCC)C(C)C	1941262250	BELJWSMVGJHOHH-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(C2CC2)cc1	1941571694	VIBIKGMIFNRVTL-MRXNPFEDSA-N	231.383	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CC(C)(C)C(F)F	1941607334	QUQRYGGDRJRHNG-LLVKDONJSA-N	248.357	4.699	0	10	BJAE	
CCN[C@H](CC)CCC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944205842	VYCUOLHCLJOGOV-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H]1CC[C@@H](F)C1	1945209840	UPRGYGXTASXDFE-BFHYXJOUSA-N	242.378	4.546	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@H]1CCC(C)(C)C1	1945602057	ZJQKLMPCGIZDJY-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1(CCC(=O)c2cccc3sccc23)CC1	1945961360	PNTMXZPBJXQPQH-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCC(F)(F)CCNc1cccc(C(C)C)c1	1947888840	OSNBILDPRYEGCN-UHFFFAOYSA-N	241.325	4.657	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1	1948594627	AJALVYPLHLWWQA-JONQDZQNSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948594884	CIIPVONONKCPHK-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1([C@H](N)C[C@@H](C)CC(C)(C)C)CCC1	1949017694	KNLGTEWQTHLEAC-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@]1(N)CCCC12CCCCC2	1949023390	XOJJUYQTSDDBGZ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CCC[C@@H](CC(C)C)C1	1949088462	VJXWXMXLSRLPKH-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@@H]1CCC2(CCCC2)C1	1949401321	BVQJUSLJUZLENG-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1C[C@H](CCC=C(C)C)CCC1(C)C	1949660062	GSCZYHIPHBXNQC-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)CC2CCCC2)C1	1949871902	VGJIKUBLKMXYQJ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1CCC[C@@H](C)CC1	1950907292	CHDGEQHDVGBLKQ-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@@H]1CCC[C@@H](C)CC1	1950923150	DYZXXCQXQMAUCG-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C(C)=CBr)CC1	1953950572	QECHLMPEBJECPI-UHFFFAOYSA-N	245.204	4.892	0	10	BJAE	
C1CCCC(CN[C@@H]2C[C@H]2C2CCCC2)CCC1	1966023610	UTRJIZOTXWVMOB-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
C1=C(CCN2CCCC3(CCC3)CC2)CCCC1	1966377601	YTFZYKHKISSNSR-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
CCCCC1CC(NC[C@H](CC)CCCC)C1	1968237454	JZGUJKVIXLQALK-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)cc1F	1968319843	DAABYKLISPDSSA-XNIJJKJLSA-N	249.373	4.617	0	10	BJAE	
CC[C@H](C)N(Cc1ccccc1)C[C@@H](C)C(C)C	1968431690	DZWXGRWMXSUOIU-CVEARBPZSA-N	247.426	4.579	0	10	BJAE	
Cc1cc(F)cc(NCC[C@H]2CCC[C@H](C)C2)c1	1968594924	IPWSBLKUVXEAQD-GXTWGEPZSA-N	249.373	4.762	0	10	BJAE	
C[C@H](CC1CC1)N[C@@H]1CCCC2(CCCCC2)C1	1970520263	INBVFQVZWAUMAR-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](CCC(C)C)NCCCCC(C)C	1986946199	AGZNBPSRBVJQMV-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@](N)(CC)CCCC(C)(C)C	1990089519	JCBHUHWMMJFAKQ-HNNXBMFYSA-N	227.436	4.891	0	10	BJAE	
CC=C(CC)c1ccc([C@H](C)NCCC)s1	1994700948	UFFMAKXQDVGFRS-NSHDSACASA-N	237.412	4.622	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@](C)(O)C1(C)CCCCC1	1995986069	MMYVZWBSCKCURZ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@@H](CCC1CCCCC1)NC	1996610258	HJYHXLUFYJPLJL-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](CC(C)(C)C)NC)CC1	1997117777	SWRZTCHBZAUMDJ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@]1(C)CC=CCC1	1997546931	RKWAUNLHFCNCPI-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@]1([C@H]2CCCC(C)(C)C2)CCCCCN1	2000050003	CMYBPHSULJFMMM-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H]1CCC12CCC2	2001843145	DATNKNZETOAGOD-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCCC1CCC([C@H](O)CC2(C)CC2)CC1	2002506571	CVTCAHUGTGANSW-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@](C)(O)C1CCC(C(C)C)CC1	2002924450	KEDGLTRNVMKYIY-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CCNC[C@]1(C[C@H](C)CC)CCCC(C)(C)C1	2002989789	CDMHORFUQPBXOO-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](NC1CCCCCCCC1)[C@@H]1C[C@@H]1C	2003101807	VTYPFOFPWVPPCA-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCCCC(F)(F)C1	2003199095	HGMNTYMQXVLMKC-OLZOCXBDSA-N	247.373	4.513	0	10	BJAE	
CCC1(C)CCC(N)(CC2CC(C)(C)C2)CC1	2004342424	SEEUKHMHOQWYIA-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C1(C)CCCCCCC1	2004920384	JODRCGMPHCHZQC-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CC[C@@H](O)[C@@H](CCC2CCCCC2)CC1	2009408974	XLUIROGQLLQWGE-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@H]1CCOC2(CCCCC2)C1	2009594996	WKBWQDFLBGLPKC-FAAWYNLUSA-N	236.399	4.862	0	10	BJAE	
CCCCCC[C@H](NC)C1=CC[C@@H](CC)CC1	2010765574	QFJIWJYKSVPMII-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CC(C)N[C@@H](C)[C@@H](C)CCC(C(C)C)C(C)C	2015360790	LXAOLQGLJQQENP-GJZGRUSLSA-N	241.463	4.717	0	10	BJAE	
CC[C@@H]1CC[C@@](O)(C[C@H]2CC[C@H](CC)CC2)C1	2017653674	WIBVBKZQSGFJAZ-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)CNC[C@H]1CC[C@H](CC)CC1	2017724206	XEDIAMKFRGFGJM-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H]1CC[C@H](C)CC1	2017725671	UBNUTOCGHCQJGH-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C2(CC)CC2)CC1	2017775966	JFZKDRAQCWLWDE-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CCCCC1(C)C	2019414597	UVTXSSRMZAPLGV-LSDHHAIUSA-N	239.447	4.712	0	10	BJAE	
CCCCCc1ccc(C(=O)CCC(C)C)o1	2021517373	BUQGVQVOQOOTFJ-UHFFFAOYSA-N	236.355	4.631	0	10	BJAE	
CCN[C@@H](C)CCC1CC(C)(C)CC(C)(C)C1	2024100520	DBKOOHBGNBPDPH-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1CCCC(C)(C)C1	2024101457	KVJYNFPCRPMWMX-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@]1(C)C[C@H]1C)NC	2026170628	RCMKSRDADMHGPB-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)CCC[C@@H]1CC1(C)C	2027836860	MSUAUCUAUALYPO-GOEBONIOSA-N	245.410	4.506	0	10	BJAE	
Cc1cccc([C@@H](N)CCC[C@H]2CC2(C)C)c1C	2027840057	NLOOXWYFRDEYEQ-HOCLYGCPSA-N	245.410	4.520	0	10	BJAE	
CCCCCC[C@]1(CNC2CC2)CC=CC[C@H]1C	2027925212	CTQHCLLPTZUZOP-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](NCC1(C2CCCCC2)CC1)C1CCC1	2029735365	AYIBXQIRXPJPPK-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](c1cc(C)cc(C)c1)[C@H](C)CCC(C)C	2029827367	XENJQUHSTZOQID-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CC1CCC(CN[C@@]23CCCC[C@@H]2CCC3)CC1	2031797113	BBOCXMJQTDHLMH-BHUNQDJPSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](Nc1ccccc1C1(C)CC1)[C@@H]1CC1(C)C	2032245881	NBHIRYSEDHTJQH-OCCSQVGLSA-N	243.394	4.585	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C)cc1	2035401006	SKAMKCMOKFWQQO-USXIJHARSA-N	245.410	4.614	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)c1cccc(C)c1	2035422994	LYRVFEZAEWHRHW-INMHGKMJSA-N	245.410	4.614	0	10	BJAE	
NC1(CC2CCCCC2)C[C@@H]2CCCCC[C@H]2C1	2035862844	SKWRKEWPLIWAFM-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1cc(C)c(C)cc1C	2037080981	CUAGHUBZMZKBDZ-MRXNPFEDSA-N	247.426	4.828	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C2(C(C)C)CCC2)cc1	2037085488	BXWCZGOCYKKRCJ-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@@H]1CC=CCC1	2037161494	DMRFETDTZXISJJ-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
N[C@@]1(CC2CCC=CCC2)CCC2(CCCC2)C1	2037206889	HPNRCWHXKZOPLK-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CC[C@H](C)C2)C=CCCC1	2040182029	NCIKYXDWQQWOJR-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCC(=CC1CC2(C1)CC(C)(C)C2)CNC(C)C	2040972784	ILWXXAJHKZAFLC-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@]1([C@H]2CCC[C@@H](C)C2)CC=CCC1	2042089775	SYSQLFFHPIBMES-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1CCC=CCCC1)C1(CC)CC1	2045322515	FOFHKLCTNMVOLH-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CC[C@@H]2C2CCCCCC2)C1	2045521332	KBAOXAFGQCHWKF-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)C1	2045561126	VPWIQDAYJQEMRW-LNNMMNKASA-N	248.410	4.620	0	10	BJAE	
CC1CCC(NC2CC3(CCCCCC3)C2)CC1	2046229333	AFOILNAHBDDOOS-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CCC/C=C/CN[C@@H]1CCCCC12CCCCC2	2047589313	HPVNOABSMYMRFD-IGKXFLDPSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@@H]1CCCC2(CC2)C1	2048868690	LXDQQQVFEOOCJC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@]1(CNC(C)C)C[C@H]2C=C[C@H]1C2	2049467863	CWLOUDIWXNSZOP-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)[C@@H]1CCC[C@H](C)C1	2049539613	IBIQWERAPRHACN-IACUBPJLSA-N	249.373	4.761	0	10	BJAE	
Cc1ccccc1[C@@H](O)CCCC1=CCCCC1	2050428494	VXPLBNHFIIDTMY-KRWDZBQOSA-N	244.378	4.699	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@H]3CC[C@H]32)CCCCCC1	2052307890	KCAAJDHMLKAOSW-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H](C1CCCC1)C1CCC1)C1(C)CCC1	2052345393	OZFLLHXXOCAZAO-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
C[C@H](Nc1cccc2c1CCCC2)C1(C)CCC1	2052347830	GHFHHFWMMGZUMI-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC12CCCC2)C1(C)CCC1	2052351140	FECPUMXXNGPOPF-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](CC=C1CCCC1)c1cccc(C)c1	2056877519	AKDWDEPGEJKQMP-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C1=CC[C@H](C)CC1	2060920789	HBPZLZXPBYMPLB-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C1=CC[C@@H](C)CC1	2060926227	PRAFDRFNSWZWAX-RHSMWYFYSA-N	247.426	4.601	0	10	BJAE	
CCC1([C@H](NC)C2=CC[C@@H](C(C)C)CC2)CCC1	2061146112	DWAGOBFHOGPKNY-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H]2CCCCC[C@H]2N)CC1	2061149429	CRKKIMFUTAOWMP-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC1CC(=C2CCC2)C1	2061704518	RVMKXSNULYPPLW-GUYCJALGSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2CC(=C3CC3)C2)CC1	2061737452	RDWJBMVREXJRFO-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1C[C@@H]2CCC[C@H]2C1	2063501162	MSMBQXVOEYSUMH-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
N[C@@]1(CCC2CCCCC2)C=CCC2(CCC2)C1	2063649812	PPUGOYMFRNQNKM-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](CC12CCC(CC1)CC2)C1CCC1	2065309229	YXYPGQVQLOFIPT-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](O)(CCC(C)C)c1ccccc1C1CC1	2065994417	CRLXIOJSRTZRER-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCCCCc1ccc(NC2CC3(CC3)C2)cc1	2067457787	JBCFRRAHZJCHEP-UHFFFAOYSA-N	243.394	4.774	0	10	BJAE	
CC(C)(C)CC1CC(N[C@@H]2C=CCCC2(C)C)C1	2067965708	DJAFIEMPXKQYEF-YMAMQOFZSA-N	249.442	4.536	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)C)C1CC(=C2CC2)C1	2068836640	LUWVHMJHVFOSJP-GUYCJALGSA-N	249.442	4.537	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C[C@H](C)C(C)C)cc1	2068977522	NNRCVWOUFZTRPM-AWEZNQCLSA-N	246.394	4.750	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1(CC2CC2)CCC1	2069505782	SSJJUHXNWHYTKQ-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
COc1ccc(C)c(N[C@H](C)CCC=C(C)C)c1	2070400729	XUQSGTOLTMEBJV-CQSZACIVSA-N	247.382	4.550	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CC[C@@H]2C2CCC2)cc1	2071784937	DRPQKLXBWGIXFW-IAGOWNOFSA-N	243.394	4.801	0	10	BJAE	
CC(=CC1(C(C)(C)C)CCC1)c1cccc(N)c1	2071948672	FZYCAGBXPMLHBS-UHFFFAOYSA-N	243.394	4.889	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C2=CCCCCC2)CC1	2072695377	GRNMCNQEQBBHRC-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2cc(C)cc(F)c2)CC1	2072793663	MIIIWDOAUZUHAM-HDJSIYSDSA-N	249.373	4.762	0	10	BJAE	
CCCC1CCC(C[C@@H](N)c2ccoc2C)CC1	2072800392	DDTFKAJDZJIKRS-ZBCRRDGASA-N	249.398	4.584	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(CN)CCCC23CC3)CC1	2072805071	YYCXLQRIKGOPEH-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)c1cccc(C)c1	2074640274	BVDIEGVYIWEEDY-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H]1CCCC2(CC2)C1	2077189814	LWVSQFXZNJLYAL-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
O[C@]1(C2=CCCCCC2)CCC[C@@H]2CCCC[C@H]21	2081119946	ZPJYBDXNEMVUQM-UAGQMJEPSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC(C)C)([C@@H]2C=CCC2)C1	2081682445	WGCFOSCYCCVIQR-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)C[C@H](C)C(C)(C)C)c1	2082945156	SLXDEIFLLJYTKX-XJKSGUPXSA-N	248.410	4.718	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCC[C@H]3CC[C@H]32)C1	2082976587	RVEBWBNYLHXWQV-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1C2(CCC2)C12CCC2	2083563041	VKWAZUOJGJWUGW-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H](N[C@H]2CCCC23CCCC3)C1(C)C	2084441674	KTWMVIQMGVFZTH-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC=C(CC=Cc2ccccc2)CC1	2210661972	HXFAORSOKITEAZ-AWEZNQCLSA-N	212.336	4.836	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213270487	FNFKMQXZFOTTLM-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(N)(CC(C)C)CC(C)C	2215249280	MGYDBICORPVFCM-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC1(C)CC(C)(C)C1	2215438808	ZFMPQDVYVCQRNA-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CCCCC1(CN[C@@H](C)CC)CCC(C)CC1	2217124186	FHGKRMAYYXOZBZ-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1C[C@H]2CCCC[C@]2(C)C1	2218019251	UMMNRVUUOQCRFH-KCYZZUKISA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CC[C@H]2C[C@@H]2C1	2218733204	WGXUQSJCAZCLNG-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)C2CCCCCC2)CC2(CCC2)C1	2221073897	XTGGSTPKEDRPHT-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@H]2[C@H]3CCCCC[C@H]32)C1	2221075675	IVEJSAOTOYUONX-NHAGDIPZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2221083927	OFLUVCSEGLYSRR-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CC2(C)CCCCC2)CC1	2221636489	VTLQJPLENRCGNM-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1=CC[C@H](N[C@@H](C)C2CCC(C)(C)CC2)CC1	2221656373	YPFGBBBVKWDVLZ-HOCLYGCPSA-N	249.442	4.680	0	10	BJAE	
CCCC[C@]1(CNC2CCC2)CCC=CCCC1	2223572813	NNNIIMKFNWIKFZ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CNC1CCC1)C1CCCC1	2223584432	RVDZDXZCIKYIJB-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
Fc1ccc(CCC2=CCCCC2)cc1Cl	2243245707	QRBVRAOREPQCLG-UHFFFAOYSA-N	238.733	4.912	0	10	BJAE	
CCC[C@](O)(CC)CCCCC[C@H]1C[C@@H]1C	2243921322	JCKZLBKJGSYEBT-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CCCCCC1CC1	2244780239	GEKQIKWPVLCVHB-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(CN)CCCCC2)C1	2246662184	FPORLSAIIPSMAM-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CCC(C)(CC)C(=O)CC[C@@H]1CCC[C@@H](C)C1	2246667048	XQHWURCGRMPYLM-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCC(=O)CC[C@@H]1CCC[C@H](C)C1	2246682005	SUTCBBPKDWLRBC-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC[C@@H](C)c1ccc(N)cc1	2247113276	CZYYYNAFHGKRLL-IPYPFGDCSA-N	231.383	4.589	0	10	BJAE	
Cc1cccc(C)c1OCCCC[C@H]1C[C@H]1C	2247174962	YLFWRWGZDHZVGY-CABCVRRESA-N	232.367	4.509	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CCC12CCC2	2247302009	APTDPMSWBFJOMV-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@H]1CCC1(C)C	2247314125	ZRKIQKZMMHLUQW-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
C[C@@](N)(CC1=CCCCC1)CC1CCCCC1	2247497937	BONQKBGADIEOQC-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC[C@H]1CCCC12CC2	2247610995	QNRQXXKDFSACLV-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CNCC1CCC(C)(C)CC1	2250389223	HKOFGWSAVRBYDL-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)N(C)CC[C@H](C)CCCC(C)C	2250466971	MBTXDEPNDBVYAR-HZPDHXFCSA-N	241.463	4.959	0	10	BJAE	
CCCC=CCNCC[C@@H](C)CCCC(C)C	2250493418	MXTMPZJLTRAFLW-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)[C@H](C)C(=O)O	2250495614	JWYMBZKESPQVAL-IHRRRGAJSA-N	242.403	4.586	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@]12CCCC[C@@H]1CC2	2251125583	KUIHCAQTQUQQCR-CJNGLKHVSA-N	236.399	4.742	0	10	BJAE	
CC1CC(C)(C[C@]2(N)CC[C@@H]3CCCC[C@@H]3C2)C1	2253656191	QZJSZFVINUSJML-FXUHHZDVSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H]1CCCCC12CC2)C1(C)CCC1	2253853400	LGRAIOOHIFQTJY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCC[C@H]2CCCCC23CC3)C1	2253890215	PMJDNUMPPAQPJW-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN[C@H]1CCCCCC12CC2	2254517296	QHFHHEMDSFMCQZ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@@H]1CCCC12CC2)C1CCCCCC1	2255254084	QJLFSQWBHHHSJK-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C(=O)CC[C@@H]1CCCC12CC2)C1CCC1	2255304501	CXZUHRWVTBUHID-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCCC23CC3)c(C)c1	2255334896	XHPDXLJVEXCCJT-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](CC)[C@@H]1CC1(C)C	2256141288	GDGDZYPKWFXYEU-JSGCOSHPSA-N	249.373	4.625	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)C=CCC(C)(C)C1	2257305483	VAHICZSXVDQYAX-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cccc(C(C)(C)C)c2)C1	2257907435	JWDDLIHZXPNPQR-BBRMVZONSA-N	245.410	4.975	0	10	BJAE	
C[C@@H](CNc1cccc(C(C)(C)C)c1)C1CCC1	2257947087	VBYVNZPBJHKURE-ZDUSSCGKSA-N	245.410	4.832	0	10	BJAE	
CC(C)C=CC1=CC2=C(C1)Cc1ccccc12	2297565421	ICUCHTYRMWSOBE-UHFFFAOYSA-N	222.331	4.539	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)c1ccc2sccc2c1	2298865067	GJQLGFOXHWBUED-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
CCC(CC)CCC[C@H](CC1CCCC1)NC	2300681963	USGVIKIKFBBNLW-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CCC[C@@H](C)CC1	2300690833	MXYXRGKAGVZXEY-KBMXLJTQSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](NCC=C(C)CCCC(C)C)C(C)C	2300865690	QHDHIXCFRBINCH-MRXNPFEDSA-N	239.447	4.783	0	10	BJAE	
CCC(C)=CC[C@@H]1C[C@H](C(C)(C)C)CCC1=O	2300893186	OGCMMBBOFYCQTH-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@@H](C)[C@@H](C)C(C)C)C1	2301700771	JQXKQMAZRWXIQP-JONQDZQNSA-N	239.447	4.568	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](O)C1CCCCCCC1	2301834018	VYIIKBLHVAAXOQ-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1ccc2sccc2c1	2301961212	IUGPHKSZJFGYCG-RYUDHWBXSA-N	247.407	4.994	0	10	BJAE	
Cc1nccc(CCCC2=CCCCC2)c1C	2302342519	JSROXGWBKZRMAS-UHFFFAOYSA-N	229.367	4.522	0	10	BJAE	
CC(C)(CC[C@H](O)CCCCC1CC1)C1CC1	2302580949	WYWVFHWTMFXSAR-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CCC(=O)c1ccccc1C	2307922527	MVBAJWYUVBRNFY-AWEZNQCLSA-N	232.367	4.784	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C[C@@H]1CC[C@@H]2C[C@H]12	2308145809	UXGDQSSUBIMPHG-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C[C@@H]1CCC[C@H]1C	2308257017	KCNIUEKCOFILQX-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1[C@@H](N)C[C@H]1CCC=CCCC1	2308937514	SZLZZAFBMDFSPT-HZMVEIRTSA-N	249.442	4.523	0	10	BJAE	
N[C@H](CCCCCC1CC1)C[C@H]1CCC[C@@H]2C[C@@H]21	2309961271	UBONEUQNBLAUTL-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]1[C@@H]2CCCC[C@@H]2C12CCCCCC2	2311936953	JKKFMSUPIJYCDI-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc([C@](C)(N)CCC(CC)CC)cc1	2316272457	DFBISDDPYIXYRZ-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2317017335	ZZSZKKRIDYRPEW-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CC(C)(CCC(=O)C(C)(C)C)Cc1ccccc1	2317282790	FZBYNZIQEIXXCF-UHFFFAOYSA-N	246.394	4.651	0	10	BJAE	
CCCNC[C@@]1(C[C@@H]2CCC(C)(C)C2)C=CCC1	2319069425	YVQOPADSYVQXBB-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCC(CC)[C@@]1(CNC2CC2)CCC(C)=C(C)C1	2320268482	QDNOZFCYCHITRL-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(=C[C@@H]1CC[C@@H]1C(C)(C)C)C1CCC(N)CC1	2320311232	MRSWEAMWFGNSRA-GRAKBVBRSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@H](CCNC2CCC3(CC2)CC3)C1	2321604375	AWCFSTVFJBSLOJ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@@H]2CCC[C@@H]2C)c1	2327675250	JOBPYWRGHWLLCK-DZGCQCFKSA-N	244.378	4.737	0	10	BJAE	
CCC1CCC(Nc2ccc3c(c2)CCC3)CC1	19997449	DMBIICUWFDRWIV-UHFFFAOYSA-N	243.394	4.556	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1ccc(C)cc1C	20482620	XCUILSIESFCGEL-GOEBONIOSA-N	233.399	4.520	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@H]1Nc1ccccc1	20566396	NDBXJOIZNNNALU-LSDHHAIUSA-N	231.383	4.703	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1c(C)c(C)cc(C)c1C	35491249	XDWAGEORLOHXJU-OAHLLOKOSA-N	247.426	4.617	0	10	BJAE	
CCCCc1ccc([C@H](CC(C)C)NCC)cc1	35548131	CGCPFSOCCILQER-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](CC(C)C)c1ccc(C(C)(C)C)cc1	35548347	IITPNKRMKWXPAL-MRXNPFEDSA-N	247.426	4.681	0	10	BJAE	
CCCCC[C@H](NCCC)c1ccc(C)c(C)c1	35572786	GWZJFZLZGIPSDK-KRWDZBQOSA-N	247.426	4.924	0	10	BJAE	
CCC[C@@H](C)CN[C@H]1CCCC[C@@H]1C(C)(C)C	36920836	SJHOJPGCACCDCK-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
Clc1cc(-c2ccsc2)nc2ccccc12	39957286	QNGGBZPZQMGCGM-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CCCN[C@H](c1ccc2ccccc2c1)C(C)C	54441205	VRPCORTWBMHZQM-KRWDZBQOSA-N	241.378	4.537	0	10	BJAE	
c1cc2c(cc1C1CCCCC1)CCCC2	59330811	WQDYMNGZEZSVON-UHFFFAOYSA-N	214.352	4.613	0	10	BJAE	
C[C@H](c1ccc(Br)cc1)C(C)(C)C	60297291	FAMUCSCOXZLPQX-SECBINFHSA-N	241.172	4.599	0	10	BJAE	
CCCCCC[C@@H](NC)c1ccc(Cl)cc1	71085124	SHXKZTBSNQLMGH-CQSZACIVSA-N	239.790	4.571	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCCC(C)(C)CC1	83435741	KKQYRSOLQHPXKH-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCC1CCC(Oc2ccc(C)cc2C)CC1	85155082	JVNBHKFZYIINCI-UHFFFAOYSA-N	232.367	4.651	0	10	BJAE	
Cc1cccc(N[C@H](C)c2ccc(C)c(F)c2)c1	94836378	BPIICYJOTRKXKY-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCCCC[C@@H](NCC)c1ccc(C)cc1C	97468386	YLXSWEOKSRGRBF-QGZVFWFLSA-N	247.426	4.924	0	10	BJAE	
CCCCCNc1ccccc1OCCCCC	107794253	NOVMTSONOIFZSZ-UHFFFAOYSA-N	249.398	4.858	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CC1CCCCC1	124545055	BEEUQUUZGOLQHJ-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1cc(C)ccc1C	124641117	UBRYLKANEJTTEJ-NVXWUHKLSA-N	247.426	4.910	0	10	BJAE	
c1cc2cc(NCCC3CCCCC3)ccc2[nH]1	125030317	ANSRMXOOBUVAKQ-UHFFFAOYSA-N	242.366	4.550	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCCC)C(C)(C)C	126948811	XLAZKKVIMSOILF-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CCn1ccc2cc(Cl)ccc21	129641707	IQFMESOZVPTRHQ-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
CCC1CCC(c2nc(C3CC3)cs2)CC1	132007990	GUTHSOJNECBSKF-UHFFFAOYSA-N	235.396	4.704	0	10	BJAE	
CC(C)(C)c1csc2ccc(Cl)cc12	142254590	CAJREYTXTVBVCA-UHFFFAOYSA-N	224.756	4.852	0	10	BJAE	
CCC(CC)[C@H](N)c1c(C)ccc2ccccc12	160856238	MQPKCCFHQYSIDJ-KRWDZBQOSA-N	241.378	4.584	0	10	BJAE	
CCCCCC[C@@H](CNCCC)C(C)(C)C	162339545	OEGYKAWXSROKOH-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CCCCC[C@@H](O)c1ccccc1C(C)(C)C	168414540	NGHJFZWAXGUFRL-OAHLLOKOSA-N	234.383	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1ccccc1Cl	168885613	GDIOXBYOQFZCEV-FZMZJTMJSA-N	240.774	4.590	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC[C@H]2C(C)C)c1C	214420355	SUBSBSZYLVYCQW-DOTOQJQBSA-N	245.410	4.930	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@@H](C)[C@@H]1C)c1ccccc1	225067744	UIKQWHSGHVLMLP-WTTBNOFXSA-N	245.410	4.552	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CCCC2(C)C)CC1	226788453	HDLITJDLTWZZMW-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](c1ccccc1)C(C)C	228145210	JAQHKCBRRKHTJG-ZOBUZTSGSA-N	247.426	4.798	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1)C1(C)CCCC1	229308172	LILUHHXYHKTYAC-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCC[C@H](CC)[C@H]1CNc2ccc(C)cc21	232993072	KLDONKFECUTDOD-DZGCQCFKSA-N	231.383	4.721	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCCC)[C@@H]1C[C@H]1C	251284735	FMABYILNUVOYGH-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](O)(CC)c2ccccc2)C1	251602480	KNPZAURHSGFICJ-OIISXLGYSA-N	246.394	4.501	0	10	BJAE	
CC(C)CNCC[C@@H](C)CCC1CCCCC1	302251605	KWVOTHVCACUMIF-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
FCCCNC1CCCCCCCCCCC1	302362504	KBJKXEICYZCUGK-UHFFFAOYSA-N	243.410	4.609	0	10	BJAE	
CCCC[C@@](CC)(CNC)C[C@@H](C)CC(C)C	302430114	VGERGNWXNGEHHO-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1ccccc1C(C)(C)C	302572170	PNSGDKVYRKBTJV-XJKSGUPXSA-N	248.410	4.700	0	10	BJAE	
CCCNC[C@@](C)(CCC)CCC1CCCC1	305986310	SBWUCDKTTPLPCB-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CSc1cc(Cl)cc2c(S)csc12	306918306	ZOJGAUJGOIXVDJ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CSc1cc2sccc2c(Cl)c1Cl	307393477	LYTAQJNFEWSCDW-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2(CC)CCC2)C1	310311537	DWSLGDPLVTUGAQ-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](O)C[C@@H](C)C(C)(C)C)C1	310420701	NZVGTYDPLZWASU-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)cc1	310891953	YJVRBTWFXMBLJT-GUDXXQAFSA-N	243.394	4.801	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC12CCCC2)[C@H]1C[C@H]1C	322157223	JIWCQMDGFCHOJB-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2CCC2(C)C)cc1	379876650	SLDWQSRGEMDHKU-DOMZBBRYSA-N	231.383	4.801	0	10	BJAE	
CCc1ccc(NC2[C@@H](C)CCC[C@@H]2C)cc1C	380660730	HLDNJOJUZDAWOP-STQMWFEESA-N	245.410	4.794	0	10	BJAE	
CC[C@](O)(C[C@H]1CCC[C@H](C)C1)c1ccccc1	380955450	RFJSDDRQNAIWQV-ZOBUZTSGSA-N	246.394	4.501	0	10	BJAE	
CCCC1(N[C@@H]2C=CCCCCC2)CCCC1	382240851	BEOKZHXJUFAMHT-OAHLLOKOSA-N	235.415	4.578	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)CCCCCC(C)C	383511784	JGTSFIIQRXRLSE-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
C[C@H](CC(=O)C[C@@H](C)C(C)(C)C)c1ccccc1	384854323	GGJUVVAHWFNWLN-ZIAGYGMSSA-N	246.394	4.822	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCC2=CCCCC2)C1	384880109	UHMIAIRIYRSTBS-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H]1C[C@H]1CC(C)C	387963979	DSGCTGKNZMGGRI-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CSc1ccccc1NC[C@@H]1CCCC[C@@H]1C	394877522	GBOCZLLGQGFZAA-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CCCCC[C@H](C)NCCCC1CCCCC1	395240963	VOBBFQHFBIYFBH-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCc1cc(C(F)(F)F)c2scc(F)c2c1	396292739	FHJFDOGNBAZLGK-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
C[C@H](Nc1cccc2ccsc12)[C@H]1CC1(C)C	397861388	YGMHIZWJCRRKPM-CMPLNLGQSA-N	245.391	4.748	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C1CCCCC1	398850460	NIZONUQEHMSDLM-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(C(=O)c2cccc(F)c2C)CC1	398991344	HRPSRSDCXSVYRS-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H](C)C(C)(C)C	399311337	MDDSZZFFJXHHJF-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
CCCC(CCC)[C@@H](CC1=CCCC1)NCC	401100262	XYGHVADTIZOWIQ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CN[C@H](CCCC1CC1)C1CCCCCCC1	405703867	BUZUTTWMEYURDP-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CCC(C)(C)C2CC2)C1	405979378	IMXMAUASHSYRFS-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1CCC[C@H]2C[C@H]21	690158763	OSEOBILGQYYJJQ-USXIJHARSA-N	241.378	4.555	0	10	BJAE	
CC(C)c1ccc(-c2cccc(N)c2Cl)cc1	690835671	FPDSZBMSSRLRQM-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1CC=CC1)NCC	692062306	SJIPHAAABMKJGC-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
Clc1cccc(OC2CCCCC2)c1Cl	694959308	MMWVETLPEZZUHN-UHFFFAOYSA-N	245.149	4.705	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@@H]1CCCC2(CC2)C1	695939451	YOCUVWKAIVQRDA-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1c(C)oc2ccccc12	701070719	RAUAWIJHMALWOZ-OAHLLOKOSA-N	246.350	4.601	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](N)C(C)(C)CC	701135699	GXULJSZCUWBHOK-NUEKZKHPSA-N	247.426	4.580	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1csc2ccccc12	701249039	NWRONBHENUVCOW-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@@]2(C)CC2(C)C)cc1	702220430	CPLSMDFRINXLFP-YLQAJVPDSA-N	246.394	4.670	0	10	BJAE	
CC1(CC2(N)CCC(C3CCC3)CC2)CCCC1	704467017	TUVPEDNRNNYGDF-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@](N)(CCCC(C)(C)C)C(C)(C)C	704890395	RHWDPDOYSGRYEQ-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CC[C@](N)(c1cccc(C(C)C)c1)C1CCCC1	704938103	DGURGCWXLKAIDI-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(CNC(C)(C)C)CC1	709105825	OCEVTZFVZUWZBB-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C12CCC(CC1)CC2	710118966	VOBYTXCYTUHGIV-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)CC2CCC2)cc1C	710193881	FJWVPRVQZIKKOY-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1cscc1Cl	710436940	UDHGWMXWYLVZIU-LLVKDONJSA-N	246.803	4.651	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@H]3CC[C@H](C3)C2)c(Cl)c1	710924271	JYYSMSZAHVODQB-CLLJXQQHSA-N	249.785	4.639	0	10	BJAE	
C=C/C=C\CCc1ccc(F)c(C(F)(F)F)c1	713644640	LDYPQPFJEPYMKU-ARJAWSKDSA-N	244.231	4.519	0	10	BJAE	
C1CCC(CCN[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1	714323717	VRHNJRXXNGFXKE-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C/C=C/C[C@H](C)c1ccc(OCCC)cc1	714559976	FNZSZPSJWUGQJR-BPJJOFIESA-N	218.340	4.545	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCCC1(C)C)c1ccco1	718937209	DDHRNLZYOYMWEA-UKRRQHHQSA-N	249.398	4.679	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1ccccc1C(C)C	721692281	MTYKBLLPIVMTIJ-OAHLLOKOSA-N	233.399	4.636	0	10	BJAE	
CC(C)c1ccc([C@H](O)CC2CC(C)(C)C2)cc1	723553525	SLXJFJBZPNKGNC-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
CCC1(CC)CC[C@@H](N)c2ccc(C(C)C)cc21	757189650	SHVRKSBTJMHPCV-MRXNPFEDSA-N	245.410	4.661	0	10	BJAE	
CC(C)(C)C[C@@H]1CCN([C@H]2C=CCCCCC2)C1	1559915172	HEXOTXRIAAJRIZ-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCC12CCCCC2)C1CC1	1875416956	AHNBRDCSOBMNKG-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC(=CCl)COc1cc(C(C)C)ccc1C	1889824496	MCRPFTKQIFEIJK-UHFFFAOYSA-N	238.758	4.640	0	10	BJAE	
COc1cc(Cl)c(C)cc1CCCC(C)C	1901881790	VTLWQLXFZRCCPY-UHFFFAOYSA-N	240.774	4.636	0	10	BJAE	
CCC[C@H](CC)COc1ccc(Cl)cc1F	1905445798	RJWSZXKNOBMFDC-JTQLQIEISA-N	244.737	4.684	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)C2(C)CCCC2)CC1	1909703850	VMQQZUXDQFYSKT-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
C=CC=CCCC(=O)c1cccc2ccsc12	1911777368	AFBOTDKIVULDBV-UHFFFAOYSA-N	242.343	4.606	0	10	BJAE	
Clc1ccnc(-c2cc3ccccc3s2)c1	1912236945	KSFNWARLLGNPEC-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CCC[C@@H](C)[C@H]1CCCCCCCCC1=O	1913390536	QPNSOPWKPHYYQU-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H]2CCC3(CCCCC3)C2)C1	1915886361	RENYSHYCDJBJCR-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCC2(CCCC2)C1	1916417210	IPMATVAZXJZRLR-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H](C)C[C@](C)(N)c1ccc(C(C)(C)C)cc1	1920461213	MDGQFFLICZIZJQ-DYVFJYSZSA-N	247.426	4.594	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@@H](C)C1CCCCC1	1924104910	HOAIAONCVVICNG-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C=CCCC1)C1CCCCC1	1924109983	WJCONTHBZONNLZ-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)[C@@H](C)C1CCCCC1	1924111392	OJYMQYXXBGJFMJ-ZFWWWQNUSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(CNCC)C1CCCC1	1924118520	IQACJGGXPKGIRN-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@H](C)C1CCCCC1	1924136030	PQYRDZCSDIRGBB-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCNCCCCCC(C)C	1926144159	JODQCCMLHWMGPF-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCC[C@@H](CC)CC1	1926160012	RXBUEWUWGPBFQL-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CCCCCC2CC2)C1	1941587881	WSLLCVACLTWQHY-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(CCC2CC2)CC1	1941597356	QPZGJUZUIKSHSV-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CNCC)C1CCC1	1942094711	IKLPGONQKAHBGI-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCNc1ccc(C2(C)CC2)cc1	1944598926	VFGQTPHGCUIBFZ-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](O)CCC1CCCCC1	1944853887	UOUIRMCGDVSKKU-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC(CC)[C@H](C)NCC(C)(C)C1CCCC1	1946158944	TYCJIQNAJOLTIJ-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC[C@H]2C(C)C)c1	1947459661	CCIBPALIMLYNGY-JKSUJKDBSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@H]1C(C)C	1947462740	MZDQHUMJEJGMSO-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1c(C)coc1C	1947520230	SUYITEKKHWDNHB-CYBMUJFWSA-N	236.355	4.686	0	10	BJAE	
CCC[C@@H](NCC)C1CCCCCCCCC1	1947878012	DBBMRSYTAMHFHU-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)C[C@H](C)C1(N)CCCCCCCCC1	1947881880	UFPAFJHMBDTZGS-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCC1(CN[C@H](C)[C@H](C)CC(C)C)CCCC1	1948326957	NNXZCARRLTVARM-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC([C@@H](O)C[C@H](C)CC(C)(C)C)C1	1948412634	GOLHPVAYSJNWIM-REWIBIJMSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CC2(C)CCC2)CC1	1948968088	RDVOXBWLBXSMJX-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC(C)(C)C(C)(F)F	1949015088	NQLDSTSUWPHRDT-ZDUSSCGKSA-N	249.389	4.602	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCC[C@@H](C(C)C)CC1	1949088685	ZRLRAWJSGLVHLU-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCSc1cccc(N[C@H]2CCC23CCC3)c1	1949319167	NUCLJDHAPZAIID-AWEZNQCLSA-N	247.407	4.543	0	10	BJAE	
CC(C)CC[C@@H](C)C[C@@H](N)CC1CCCCC1	1949906966	JOQFTKJKCAIGPN-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CC[C@@H]1CC(C)C	1968309930	OVILZFLFEDNQHB-XHSDSOJGSA-N	239.447	4.616	0	10	BJAE	
CC(=O)c1ccc(C)c(-c2ccccc2Cl)c1	1968538261	FOUILYSLMNZUSO-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CC1(CCCN2CCCC3(CCCCC3)C2)CC1	1969584934	IQKWSPZZAAIIFY-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCC(CCC)CN[C@@H](CCC)C1CCC1	1969867595	WZHMLAQSEDWEOS-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(CCF)cc2)C1	1970103222	XWMKZMLZMOTNHS-BBRMVZONSA-N	249.373	4.579	0	10	BJAE	
CCCCCC[C@](C)(N)CC1CC(CC)C1	1983350343	SAYGSMVWRUNNCP-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CC=CCCC[C@H](NC)C(CCC)CCC	1984629717	KHWYURDCZFASBL-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCC1(COc2ccc(C)cc2Cl)CC1	1990570628	DVANBVTYJYPLRO-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CC=C(C)[C@@H](CC[C@H](C)CCCC)NCC	1995204692	QLRCEPYJCRUJET-UKRRQHHQSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2c(C)cccc2C)C1	1995630503	OLYJMTYSOAVRQD-HUUCEWRRSA-N	231.383	4.684	0	10	BJAE	
CC1CCC([C@@](C)(N)CC(C)(C)C(C)C)CC1	1996585734	KDJDILDMILMICM-XUJLQICISA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@H](O)CCC1CCC1)C1CCCCC1	1998047968	RGUWATBYMZHOFC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H]1CCC=CCCC1	1999989246	YFQIBEQFHUZUBD-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)([C@@H]2CCCC(C)(C)C2)C1	2000022621	BITNVGQHGNAPGV-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](O)CCC2CCCC2)C1	2000025723	XIVVPHHKVYVGFX-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@@H]1CC12CCCC2	2001256911	SQWXXQGUVOZXEM-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCCCN(CC1(F)CCCCC1)C(C)C	2001387091	ODMZXTXOCPHYIT-UHFFFAOYSA-N	243.410	4.559	0	10	BJAE	
N[C@@H](C1CCCCCCCCCCC1)C1CC1	2001978377	UMWUTZBNCPLLKR-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CCC(=O)[C@]1(C)CCCCC1(F)F	2002581703	HRIPEEALFURXCX-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
O=C1CCCCCCC[C@H]1CCCC1CCC1	2003074135	HNBDNKPUAFMSSL-HNNXBMFYSA-N	236.399	4.886	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC1CCC2(CC1)CC2	2003227088	JATKMXZVRHBXFP-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@]1(C)C=CCCC1	2003326056	ZJUHUICXDQVJPL-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC(C)(C)CC)CC[C@@H]1C	2006957502	NBBWMCHUFCDZBW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@@H](N)C=C2CCCCC2)c(Cl)c1	2007937887	RUNHFYVLLXFVPQ-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
Cc1ccc([C@H](N)C=C2CCCCC2)c(Cl)c1	2007937888	RUNHFYVLLXFVPQ-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1(C2CC2)CCCC1	2008483392	OQGCCERBXWUROX-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H](C)CC(C)C	2009635926	SAIGULKYIGKXQY-CGMDNHBQSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@@]1(CC2(C)CCCCC2)CCCN1	2009775654	ZJRFNXUOZVKRNC-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CCC(CC)C[C@H](O)C1=CC[C@@H](C(C)C)CC1	2010716519	WOZYVMPZRZTFJO-ZBFHGGJFSA-N	238.415	4.556	0	10	BJAE	
Cc1ccccc1CCC1CC(=C2CCC2)C1	2011086830	HVQOEOVLYHGKTF-UHFFFAOYSA-N	226.363	4.818	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011976736	PWXBNNIZFNRQSC-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccc(C(C)(F)F)cc1	2012750106	SWFIKKSTINHLEE-GHMZBOCLSA-N	241.325	4.645	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)C[C@@H](C)CC(C)(C)C	2013305003	YFCQLJJYMFBWMS-LSDHHAIUSA-N	241.463	4.815	0	10	BJAE	
CC[C@H](C)C[C@H](O)c1sc2ccccc2c1C	2014295158	YFPOWPVOEXIOJF-GWCFXTLKSA-N	248.391	4.679	0	10	BJAE	
CCC(C)(CC)CNC1CC(CC(C)(C)C)C1	2014656648	JLLBAJHTFAWBCL-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC(=O)[C@@H]1CCC(C)(C)C1)C(C)C	2015387064	HCWCBCQTVCZMRJ-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@@H](O)[C@@H]2CCC(C)(C)C2)CCC1	2015631826	HNMPEULWJACJEM-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H]2CCCCCC[C@H]2O)CC1	2017721016	WLCDNOJUCXYBLJ-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CC(=O)C[C@H]2C[C@H]2C)CC1	2017775688	FIZBJNXLHWVIRI-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)C(C)(C)C(F)F	2017797043	QDCQUWZPOIBBHC-VXGBXAGGSA-N	249.389	4.615	0	10	BJAE	
CCC1(C[C@@H]2CCCCCCCCC2=O)CC1	2018924906	OUCRBQSGXNGPDE-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1(CCC)CC1)NCC	2018999898	NJISVPNOGFAWGK-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCCC(C)(C)[C@@H]1O	2020399152	FENOYJYCQVLQQJ-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(CC[C@@]2(C)CCCN2)CC1	2020814630	KAVJUTOIBTUAMR-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](C)(N)C[C@H]1C[C@@H]1C1CCCCCC1	2022495510	JPILGRPXQXKYQD-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCCCCCC(=O)C[C@H]1C[C@H]1C1CCCC1	2022558599	XVNUQEFYHYHUNS-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(-c2ccc(C)c(Cl)c2)c(C)cc1N	2024330949	QXRJZPRJHFBTHR-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@@H]1CC(CC)CC	2024508967	DJYSAFAGEXFGCS-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC1CC(C)(C)C1	2026168038	WZHXAVWWOXYHQF-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc(C(=O)CC2(C)CCCCC2)c1F	2027276895	XFIVUGMMLBAMKB-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
C[C@@H](C[C@H](O)CCCC1(C)CC1)c1ccccc1	2027830054	AJSXSQUURHPYGF-GOEBONIOSA-N	246.394	4.512	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@H](C)C1CC1	2028908834	VJYWHIDDPCAJQD-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2030228505	BBINEUHFZHSFCF-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C(=O)CC2C[C@@H](C)C[C@H](C)C2)c1	2031820854	ZJZJOEOLGWXMAD-KBPBESRZSA-N	244.378	4.640	0	10	BJAE	
Cc1ccc(CNC2CCCCCCCCC2)o1	2035892666	UOJHARISKNAIBE-UHFFFAOYSA-N	249.398	4.571	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)CC1CC2(CC2)C1	2036758951	TUSPMNRDMVNPHP-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C1=CCCCCCC1	2037074650	VSFXYIDQTFLLLT-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CCC1=CCCCC1	2037171651	NNOLYBUYSGWCHW-IRXDYDNUSA-N	249.442	4.955	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CCCCCC2CC2)C1	2037207484	XQKXSGNPPDLSRI-RRQGHBQHSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC1(C)CC1)[C@@H]1CCC2(CCCC2)C1	2037699333	BVRASUPDLJZROR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC2(CC1)CC(O)(C1=CCCCC1)C2	2038933144	LDDNYMYTZAHLAH-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1C=CCCCC1	2039039440	RIVQFWVFCHYGPV-IRXDYDNUSA-N	249.442	4.824	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@H]2CC23CCCCC3)C1	2039059582	VPWLEBKTZIVECD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@@H]1C(C)=CCC[C@@H]1C	2039433390	BMEWHPVTJBQBRK-NNXHMXCWSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)CCC3(CCCCC3)C2)C1	2040168151	DXISAFOZZLNEQF-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(C)c1NCC12CCC(CC1)C2	2041247069	HPACSFZHPMVURO-UHFFFAOYSA-N	243.394	4.550	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@]2(C)CC=CCC2)cc1	2042069396	JIYDSELDJUXEGP-IRXDYDNUSA-N	244.378	4.590	0	10	BJAE	
Cc1cccc(C(=O)[C@H]2CCCC(C)(C)C2)c1C	2045449151	IQJUKLVMFPLYRL-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2C(C)=CCC[C@@H]2C)CC1	2045681970	GNZXAQCECBJPDP-SLTXQBBLSA-N	248.410	4.764	0	10	BJAE	
C[C@H]1[C@H](C)CC[C@H]1NC1CC2(CCCCCC2)C1	2046230466	SCKFQJAUNGNISO-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@@H]1CC12CCCC2	2047008189	MQRUNNIVPOEIJI-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@@H]1CC12CCCCC2)c1cccc(N)c1	2047011692	YKEUVIBEISOXIC-OAHLLOKOSA-N	241.378	4.643	0	10	BJAE	
CCN[C@H](C[C@@H]1CC12CCCC2)C1(CC)CCC1	2047017614	XBAIUIUUPIBZCO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047436996	IKTTYHNGIKUCON-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
C1CCC[C@@H]2[C@H](CC1)C[C@H]2NCCC1CCCC1	2047437795	OLGGYRGUPHWTAE-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CCCCCC[C@H]32)C1	2047437861	OXHIJYWSOCLHJH-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C1CC1)C1CCC2(CCCCC2)CC1	2048126940	GBPOSJHLEVQFEO-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC([C@]2(N)CCC23CCCCC3)C1	2048607704	GIUUUFCNGUOOMA-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C1[C@H]2CCCCC[C@H]12	2049213600	CPWTYEIDNRRBJO-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](C)NC[C@@H]2CC=CCC2)CC1	2049418305	PMVAXJUGNMKRTD-KZYLPZIUSA-N	249.442	4.537	0	10	BJAE	
CNC[C@@]1(C[C@H]2C=CCCC2)CCCC(C)(C)C1	2049507903	DQXSCBDCVYBORA-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2CCCC3(CC3)C2)CCC1	2049864712	KDNBIMHOALAIRK-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
Cc1cc(F)cc(NC2C3CCCC2CCC3)c1	2050042655	QMWPSTXMHYTEHY-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
Cc1ccccc1[C@H](O)CC[C@@H](C)CC(C)(C)C	2050431332	QNFPFCPNNSSWJI-CZUORRHYSA-N	248.410	4.881	0	10	BJAE	
C1CCCC(N2CCC[C@H](C3CCCC3)C2)CC1	2051674606	LECZRIICIBYHDX-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCCC(CCC)CNCc1ccc(CC)cc1	2052173373	UEVXQSPYVNJUPP-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1CCC[C@H]1C	2055283918	ILDDIOWLRNIIGM-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1C=CCC[C@@H]1C	2055569825	JNUQHEDQDOSZCW-UAGQMJEPSA-N	249.442	4.680	0	10	BJAE	
CCCNCC1(CCC2CC2)CCC2(CC2)CC1	2056562415	LIOUHVPYNCBMKY-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
O=C(CCC1CCCCC1)C1CC(C2CCC2)C1	2056676786	DOLCZSIDCXRJOA-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1C(C)=CCC[C@@H]1C	2059246635	FSYJPYCUXOXRHM-JROUCQTNSA-N	249.442	4.703	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@H]1CC[C@@H](CC)C1	2060925127	IXLDQSFTMSSXIQ-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@H]2CCCC[C@@H]2C)CC1	2061080766	JUNMULBJWBETJZ-FSDCSDTHSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC[C@@]12CCC[C@H]1C2)C1CCCCCC1	2061574197	DXPNTHYIKZZNJQ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@H](N[C@@H]1CCCCCC12CC2)C1CC1	2062018505	DZQFPUUILUYOBU-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CC1([C@@H](N)CC2C[C@H]3CCC[C@@H]3C2)CCCCC1	2063540204	GNSLOIBKMIFPFU-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@H]1C[C@@H](NCCC)CC(C)(C)C1	2063635748	JWFLRVMMAYCJGQ-JKSUJKDBSA-N	249.442	4.703	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](CC)c2occc2C)C1	2063676973	DNFVQLCHKVMANR-QLFBSQMISA-N	249.398	4.598	0	10	BJAE	
CCCCC1(CNC(C)C)CC2(C1)CC21CCC1	2064006000	XMNAUFDHBSQNAZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCOc1ccccc1N[C@@H](CC)CCC(C)C	2065989444	CWJZNSAKRXQCMW-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)C)c1cc(C)c(C)cc1C	2069012508	ZGFKWOZIKKEFGH-SJCJKPOMSA-N	247.426	4.555	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1(CC2CC2)CCC1	2069514208	QCKWGLFBGVUQGZ-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1(CC(=O)C2CC(=C3CCC3)C2)CCC1	2071921907	MEVTZSRMGPVBPI-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@@H]2C=CCCC2)CC1	2072797697	BQBDTMBILOPFSF-BHUNQDJPSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)C2(CC3CC3)CCC2)CC1	2072801178	LPLONAUGYCLYSK-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@]3(C)C[C@H]32)CC1	2072805685	DYSYVWQBMPKZSK-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@](C)(C=CC2(C(C)(C)C)CCC2)CN1	2078846636	BAYFIYYRRFLSSZ-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2C[C@@H]2C2CCC2)cc1	2079283464	SVKOKIDLRFLBMD-DOTOQJQBSA-N	243.394	4.658	0	10	BJAE	
N[C@@H](CC1CCCCC1)[C@H]1C[C@H]1C1CCCCC1	2079833683	WRLCGMFLUYAPCA-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC(=O)c1ccc2ccccc2c1F	2081773503	ADKHXVMFXJRKKA-UHFFFAOYSA-N	242.293	4.518	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)C[C@@H]3CCC[C@@H]3C2)C1	2082977513	ZTPXCPZIDQKDDC-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@](C)(O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213274609	FRSOJMYXVMVQHW-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](N)CCC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213295388	YIGPFKWWYQVMAD-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(CCCCC2CC2)C1	2214563152	OQIMLQNWUPJFOS-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CCCCC1CC1	2214572198	BCXFNXGZXWGHLA-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(N)CCC[C@H](C(C)(C)C)C1	2216250481	AXGNJFDTEGNPET-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@H](O)CCCCCCCC1CC1	2216858184	BFPWGEZUVHRGSA-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)NC[C@H](CC(C)C)CC(C)(C)CC	2217139514	SPQJXFIIUMBVSI-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](CN[C@H](C)CC)CC(C(C)C)C(C)C	2217147786	MMTVUVHEQJKHGL-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](CCC1CCCC1)CN[C@H](C)CC	2217154188	RIVLQMJYDDKGKG-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218304827	OEECNUMOKNECOB-AYDFFVQHSA-N	248.410	4.598	0	10	BJAE	
CC1CCC([C@H](N)CC2(C)CC3(CCC3)C2)CC1	2221012976	GGDSBAOAEOHFCD-YMAMQOFZSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CCC[C@@H]2C(C)C)CC1	2221642219	COKIBAPJKXHSAA-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)C=CCCCC1	2223111751	ZDLCOYSFSRQRTN-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CC1(CCC)CCC1	2244774376	GECXUAWTAOGSPU-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@]2(C)CC2(C)C)C1	2246658938	DWYOVYWIBLRVQI-IOASZLSFSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC[C@H]2CCC[C@@H](C)C2)N1	2246688791	VRODQNXOVCTJKI-KLHDSHLOSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H](N)CCC1CCCCC1	2247312181	SOLKWGXSTPDRMN-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cc(C)c(C)c(C)c2)C1	2249491449	RFUNTEWYUBFILJ-LSDHHAIUSA-N	231.383	4.602	0	10	BJAE	
CCC[C@H](CC)CNC1CCCCCCCC1	2250381031	KLQCSHCBGUBJQY-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCC1CC(NCC[C@@H](C)CCCC(C)C)C1	2250527137	ICXRBCIDKWFPJS-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@]12CCCC[C@@H]1CC2	2251153187	HZQNRWKXKYGORG-CZUORRHYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C(=O)C[C@]12CCC[C@@H]1CC2)C(C)C	2251158685	PEERVKKZGGGKLB-IJEWVQPXSA-N	236.399	4.598	0	10	BJAE	
CCN(CC[C@H]1CCCCC12CC2)C1CCCC1	2253858842	WLIWIPNFUQOKAX-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C[C@H](CCCC[C@H]1C[C@H]1C)C(=O)c1ccccc1	2254508381	MCOMYTFIYJAMAC-FMKPAKJESA-N	244.378	4.722	0	10	BJAE	
CN[C@H](CCCC[C@@H]1C[C@H]1C)[C@@]1(C)CC=CCC1	2254587772	QXMHYVCCUDMJNJ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCC[C@@H]1CCCC12CC2)CC1CCCC1	2255265520	DSEWBGPQWHHMNW-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCc1ccccc1OCCCCC[C@H]1C[C@@H]1C	2257248964	RBRYEOUIBRFDNW-HOCLYGCPSA-N	246.394	4.844	0	10	BJAE	
CC(C)CC[C@@H](C)Oc1cccc2c1CCCC2	2257472240	WZAZOVBKHKCKGA-CQSZACIVSA-N	246.394	4.769	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)c1cccc(CC)c1	2259448980	TVMQLMCVPIASEP-NVXWUHKLSA-N	247.426	4.726	0	10	BJAE	
O=C(CC1CCCCC1)C[C@]12CCCC[C@@H]1CC2	2260569717	NHOOPCTZZNFEDB-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
Cc1cccc(C(=O)C[C@]23CCCC[C@H]2CC3)c1	2260581339	ZFMWJWYCCGHAJG-DOTOQJQBSA-N	242.362	4.538	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@@H]1C[C@H]1CCC	2297876903	RMEAJYPLOKEQOG-XUWVNRHRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)C[C@@]12CCC[C@@H]1CC2	2298711142	WACZKJRHGHXNMQ-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@H](O)[C@H](C)CC1CCC1)CC(C)(C)C	2298916476	NMHBEGUKNZDRIO-NFAWXSAZSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H](C)C1CCCCC1	2300684565	VYKRPMBJLHUQRG-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CCC[C@@H]1CC=C(C)CC	2300926029	IIJKZJKHANWCGA-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H](C)[C@H](C)C(C)C	2301827428	BFIZQSIMMSMVGN-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1[C@H](C2(O)CCCCCCCC2)CC1(C)C	2302122688	HWRMNFZPQXZAFA-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@H]1CCC(C)(C)C1	2302713842	SGYAVHYRZDQNAD-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CC[C@H]1C(C)(C)C	2303402634	UDTKRFPMAWKKCQ-GBJTYRQASA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1CCC(C)=C(C)C1	2303603692	VQBOCSQHGFEWIS-JKSUJKDBSA-N	237.431	4.680	0	10	BJAE	
CCCC[C@@H](CC)CN1CC(C)(C)CC1(C)C	2303708039	DNXAGDKYDZNJOA-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
C=C=CCCOc1ccc2ccccc2c1Cl	2307648640	WYJNKNJOZSULFJ-UHFFFAOYSA-N	244.721	4.603	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CCCC(C)(C)C1	2307832513	UBQJJTFBJFAFNR-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)C(C)(C)C1CCC1	2307908731	IEQPPNPEASQOSZ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1)C1CCC1	2308415195	YWQSPMFRMVWIKK-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2310890083	YCDRMZRILLJWSD-JLHDYFKBSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@@H]1C[C@H]1C1CCCCC1	2311512178	QXNSTNNWPZMQHV-LSXCDAKCSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2C[C@@H]3CC[C@H]2C3)CCCCC1	2312914251	DAFNHJIHZQCUCV-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)C[C@@H]2CCCC[C@@H]21	2313034771	UUXRXJYWQSQPER-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)[C@@]23CCC[C@@H]2CC3)C1	2313312357	MNJPNQCRTCCCCZ-LJIGWXMPSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313346454	KHALMFPPIBGEAZ-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC2CC2)CCCC1(C)C	2316487728	DTRXOHPABJOLOO-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H]1CCC12CCC2	2316501356	DOWVCFDWTXSXMO-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@H](N)[C@H]1C[C@@H]1C1CC1)CCCC(C)C	2316512046	ZAMGGDPPDQZQSH-IKGGRYGDSA-N	249.442	4.523	0	10	BJAE	
CC(=CC=C(C)[C@@H]1CC[C@H](N)C1)CCCC(C)C	2316538361	WJXWVWNDTIVBEP-SJORKVTESA-N	249.442	4.833	0	10	BJAE	
CC(=CCc1ccc(F)c(C)n1)CCCC(C)C	2316565909	RPTHYTNSEKUMJU-UHFFFAOYSA-N	249.373	4.844	0	10	BJAE	
CN(CC1CCCCCC1)C1CC2(CCCC2)C1	2316876989	ZYIDBTOOZUCVFK-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2317001703	AXSVQNAYFVGJAA-VRKREXBASA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@H](N)CCC2=CCCCC2)CCCCC1	2317900837	ITRUGNJRRGVISM-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
CCC[C@@H](Nc1cc(F)ccc1C(C)C)C1CC1	2317917690	LSYJMDMOYIFPFX-OAHLLOKOSA-N	249.373	4.940	0	10	BJAE	
COc1cccc(N[C@@H](C)CCC=C(C)C)c1C	2318395786	LYHKSYQFBPWKOE-ZDUSSCGKSA-N	247.382	4.550	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CCCC1=CCCCC1	2318546684	VIBVAPCXGUCSBN-SJORKVTESA-N	249.442	4.955	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)C[C@@H]1C[C@@H]1C	2318569700	SGHCVDFZTMOBHM-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC2(CC(CC[C@@]3(C)CCCCN3)C2)C1	2318940285	AZLOKQLGNSOYKY-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC[C@H]3C[C@@H]32)cc(C)c1C	2319324165	UMNBPWMTRZTFFN-BHYGNILZSA-N	243.394	4.602	0	10	BJAE	
CCCc1ccc(N[C@H]2CCCC[C@@H]3C[C@H]23)cc1	2319328877	KAFBDSUUQKZPSP-PVAVHDDUSA-N	243.394	4.630	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1N[C@@H]1CCCC2(CCC2)C1	2320140383	ZOHQFYYQDNVQBT-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)C[C@@]12CCC[C@H]1C2	2320227437	ZGFYOQXXSCUGGA-LBEHMCEESA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CCNCC2CCC=CCC2)C1	2321612871	GGKPYPQRELVISA-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@](N)(CC[C@@H]2CCC(C)(C)C2)CC1	2321638961	GLNLYDWYERWOKJ-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](CCC(C)C)c1cc(C)ccc1C(C)C	2327673607	RFDYWKONJOLGFK-KRWDZBQOSA-N	247.426	4.815	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CCCc1ccccc1	2328269880	UOLISBMHSTUHJX-OAHLLOKOSA-N	246.394	4.795	0	10	BJAE	
CCC[C@@H](CC)CN(C)Cc1ccc(CC)cc1	2328270279	XRAPAGOFXQFZIM-MRXNPFEDSA-N	247.426	4.507	0	10	BJAE	
CCCCCCN[C@H](CC(C)C)c1ccccc1	20554871	XVPHFMVCYRECNV-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
CC(=O)c1ccc(-c2ccc3ccccc3c2)cc1	33994687	WUFGPTBHFNBBEG-UHFFFAOYSA-N	246.309	4.709	0	10	BJAE	
CCC(CC)[C@H](NC)c1csc2ccccc12	35499865	JJMZQGOHYKBVOF-HNNXBMFYSA-N	247.407	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1ccccc1C(C)(C)C	36956481	AOXZXQBPHKEOTE-UKRRQHHQSA-N	245.410	4.975	0	10	BJAE	
Cc1ccc(Sc2ccnc(Cl)c2)c(C)c1	82605737	SQDUKQBTPBOAGD-UHFFFAOYSA-N	249.766	4.503	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2cccc(Cl)c2)[C@@H]1C	82857285	NCPWXCDYIKTKJQ-WDMOLILDSA-N	237.774	4.577	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCC[C@@H](C)[C@@H]1C	85097351	JHXYYRWYJZNLOU-YCPHGPKFSA-N	245.410	4.876	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CCc3ccccc3N2)C1	86317643	DBVQPAAKLDAEKU-YCPHGPKFSA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC(C)(C)CC(C)(C)C)CC1	86886037	PVWXCNXLCDSGIX-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H]1CCCCC1(C)C	94276841	PAYWYZTUAUEBSG-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)[C@@H](C)NCC1(CC(C)C)CCCC1	94873889	ORUZDHDCAGSYFM-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)CC1(CO)CCC(C(C)(C)C)CC1	97149589	NGUHJPWISRCHAF-HLIUYOAVSA-N	240.431	4.638	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1cccc(C)c1	103930738	KLRNIMFTFOWJQH-CQSZACIVSA-N	232.367	4.784	0	10	BJAE	
C/C=C\C[C@@H](C)c1c(F)cccc1Cl	107504951	GUDBRFZHMYDGIF-ZBJFTSOASA-N	212.695	4.549	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)c1ccc(C)cc1	109720089	YUMKJSRITIUZKN-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CCc1ccccc1NC1CCC(C(C)C)CC1	109757206	QUUGFRQNHPQHKX-UHFFFAOYSA-N	245.410	4.876	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H]1CC1(C)C	109942610	YROXMRGAVAPYFO-OAHLLOKOSA-N	239.447	4.904	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@@H](C)CC(CC)CC	128643007	IAUZGDLACZWEPJ-WMLDXEAASA-N	247.426	4.800	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C(C)(C)CC	133547797	JXRZUZMUQPKIRJ-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)Nc1c(F)cccc1Cl	135245432	XUVNMNCLKWSUAD-SNVBAGLBSA-N	243.753	4.860	0	10	BJAE	
CCCC1([C@H](O)c2ccc(C(C)C)cc2)CCC1	145972775	NTZHINACNWKQPH-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCN[C@H](CC(C)C)c1cccc2ccsc12	163253578	RZLFGLPDKHJJER-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CCCC(CCC)C(=O)[C@H]1CCCC[C@@H]1CC	165773473	RFOCZHXOARCGHR-ZFWWWQNUSA-N	238.415	4.988	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1ccccc1C1CCC1	169088811	MHVJRPDVDNJRDC-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H]1CCC[C@@H](C)C1	218038671	KTUGJDMHDYCGEJ-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@H]1NC(C)(C)CC(C)(C)C	221913132	XBUDBFVYJLYVGT-HZSPNIEDSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc([C@H](C)Nc2c(C)cccc2F)cc1	224948875	AHYQIJWUSBZEPE-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CC[C@H](NCC[C@@H]1CCC[C@@H](C)C1)c1ccco1	226856739	XXALQYFOWSRINF-ILXRZTDVSA-N	249.398	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCCC2=CCCC2)CC1	228588412	MCNAXOKZLFBMAM-WBVHZDCISA-N	249.442	4.825	0	10	BJAE	
C[C@@H](CC1CC1)Nc1ccc(C(C)(C)C)cc1	229668093	XDZYCNSXENVCOK-LBPRGKRZSA-N	231.383	4.585	0	10	BJAE	
CC(C)C[C@H](C)c1c[nH]c2c(Cl)cccc12	232622013	DUMBHTISJHYNFV-JTQLQIEISA-N	235.758	4.971	0	10	BJAE	
CCC[C@H](C)n1ccc2c(Cl)cccc21	233343567	ODRRZDZMIDFSEG-JTQLQIEISA-N	221.731	4.656	0	10	BJAE	
CCC[C@H](CC)Nc1cccc(OCC(C)C)c1	233349190	QUSPYTKZEVRDBO-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H]2CNc3c(Cl)cccc32)C1	235442912	ORSXEZCXFWHANA-WZRBSPASSA-N	249.785	4.675	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C[C@@H](C)C[C@@H](C)C1	251308522	IOVLNIKWSMFHQK-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CC[C@H](C)CC2)c(C)c1	253145274	ZNDXGAPKCRGSCW-DAXOMENPSA-N	245.410	4.533	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1(C)CCCCC1	300995051	WFHSZHRYAQDPDQ-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCC1CCCCC1	302267606	QHIUUJNWQXTXLD-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
Cc1ccc(N)cc1S[C@H]1/C=C/CCCCC1	302329816	CZBUTAAPDGXPJJ-DYLGSBMWSA-N	247.407	4.558	0	10	BJAE	
Clc1cccc(O[C@H]2/C=C/CCCCC2)c1	304159100	AVIJSCRHQCLXQB-GBVBUYCNSA-N	236.742	4.608	0	10	BJAE	
CC(C)C[C@@H](C)COc1ccccc1C(C)C	306016468	XPHOVCDBKTZIBC-CQSZACIVSA-N	234.383	4.871	0	10	BJAE	
Fc1ccc(C(F)F)c2sc(Cl)cc12	307289254	FWPMFRLJJAIXTR-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H](C)CCC(C)(C)C	310280651	XBVUOTNZFSUUNR-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CC2(C)CCCC2)C1	310446913	XFEBVFLEAVQPAA-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(C[C@H](C)CC(C)C)c1cccc(C)c1	310790667	QTHZOFRQPKNOPL-NVXWUHKLSA-N	248.410	4.665	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1cc2ccccc2s1	318831070	ZRJQIEBXQILTLZ-FIXISWKDSA-N	248.391	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)Oc1cc(C(C)C)ccc1C	319590280	KGFOALUHHOVTOI-GXTWGEPZSA-N	234.383	4.932	0	10	BJAE	
Cc1ccc([C@](C)(N)CCCC(C)(C)C)cc1C	380586246	BZOMCEGTQKVBCI-QGZVFWFLSA-N	247.426	4.694	0	10	BJAE	
CCN[C@H](CC1CCC(C)CC1)C[C@@H](C)CC	383962347	XNFPKXKWLGCVSQ-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](O)C1(C)CCCCC1)c1ccccc1	384303960	KAYBTERFIPOHLW-ZBFHGGJFSA-N	246.394	4.512	0	10	BJAE	
Cc1cccc2c1ccn2CCC1=CCCCC1	385076474	XQKFHDVMYIPNNJ-UHFFFAOYSA-N	239.362	4.840	0	10	BJAE	
Cc1cc(F)cc(C(=O)C[C@H]2CCC[C@H](C)C2)c1	385199742	SFYQHDBPIIHBRM-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1C[C@H]1CC(C)C	387713651	NGHIZLBKJWIZKL-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCC1(NC2CCC(CC)CC2)CCCC1	394420904	CPYNAJYXPDKFJU-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
CCc1ccc(C(F)F)c2cc(F)sc12	396191553	CTNMBFZKEYCVEW-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1ccc(C(F)(F)F)c2scc(F)c12	396303303	UFUZLFINOQRHMZ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1cc2ccc(F)c(C(F)(F)F)c2s1	396307116	YQRUJJTZMAHNTO-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1cc(C)cc(C)c1	401596512	WCRDOZRGUHHLJV-JKSUJKDBSA-N	245.410	4.932	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CC=CCC2)CC[C@@H](C)C1	402260925	RVMDNFKBWBLKID-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C1CCCCC1	688962511	COVAPFUDKLTJTH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@H](C)C1CCC1	692811717	LYIIQBKFKXORIT-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H](C)c1cccc(C)c1	695058692	FNFAPHHCEHLSSR-RDJZCZTQSA-N	247.426	4.513	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC[C@@H]2CCCC3(CC3)C2)CC1	695688774	IKNCWSOUADKQPL-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NC2CCC(C3CCC3)CC2)c1	695974810	KYBAFFVRQBPHAQ-UHFFFAOYSA-N	243.394	4.766	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)[C@@H]1CC1(C)C	696561612	OIKFXSSQKUFUSE-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC(O)(CCC)CCC(C)(C)CC	696800658	BEYKOLZCFVQMNH-UHFFFAOYSA-N	214.393	4.534	0	10	BJAE	
CCC(C)(CC)[C@H]1CCC[C@H]1CNC(C)(C)C	701144268	HFXRMFZTOIFALS-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@]1(N)CCCCC[C@@H]1C(C)C	704457972	CVDPGJBPSIQSAY-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CCCc1ccccc1	704947192	IABZXZWPMFVXFY-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@@H]2CCCC23CC3)C1	706955436	GXUMTIZAUUTTCM-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C)CCC[C@H](C)CC(C)(C)C	709194487	YZEPZZQOLZANBK-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC1(N[C@H](C)[C@@]23CCCC[C@@H]2C3)CCCCC1	709249355	RWGTZSCFJHZJRN-INMHGKMJSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CC1CCC1)C1CCC2(CC1)CC2	709944284	HGQDRBWFJVIEHO-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2C[C@H]3CC[C@H](C3)C2)cc1	711066792	GOVUEUKYQBXFMD-HALDLXJZSA-N	243.394	4.801	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)C[C@H](C)C(C)(C)C	711178188	XVZIHUOAXYFDMZ-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCCC(CCC)[C@H](CC(C)(C)C(C)C)NC	713217881	RWTRNNFGUVTFQG-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)COc1cccc2sccc12	713237388	VBYJWCFZIURKIA-UHFFFAOYSA-N	234.364	4.716	0	10	BJAE	
CC1(C)C[C@]1(C)CNc1ccc2sccc2c1	717143205	IHPYPZLZQZMKTA-OAHLLOKOSA-N	245.391	4.749	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1CCCC2(CC2)C1	718545873	IOCNJNXZCLKXGJ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(F)(F)CCC[C@](C)(O)CC1CCCCC1	718723488	UFDDNKQCQCLPET-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)[C@]12CCC[C@H]1C2	822068954	OMNWRJVDVVXGGG-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@@H]1CCC[C@@H](C)C1	1876996702	ZRZBKSAEFVWRMJ-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(Cc1ccccc1)[C@@H](C)CC	1880413500	OAWGZQOVPWMPLA-HRCADAONSA-N	247.426	4.722	0	10	BJAE	
CC=CCCCc1ccc(Cl)cc1Cl	1885358792	MOTOXHYOKSGOQS-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
CC(=CCc1nc(C)cs1)CCCC(C)C	1900822206	CJDLARYQZPYCNQ-UHFFFAOYSA-N	237.412	4.767	0	10	BJAE	
CCCN[C@H](C)c1cscc1C(CC)CC	1901884843	NIZXUNFFUSBINX-LLVKDONJSA-N	239.428	4.712	0	10	BJAE	
Cc1cc(-c2ccc(C3(C)CC3)cc2)cs1	1901901818	OUPRAZFYTHLIFS-UHFFFAOYSA-N	228.360	4.775	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@@H]1CCC(C)=C(C)C1	1902840708	GMFKIHMMXRASKR-TZMCWYRMSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)COc1cc(F)ccc1Cl	1905292366	IZNDJQVVKJPTND-JTQLQIEISA-N	244.737	4.684	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCCC[C@H]2O)CC1	1909700945	DASPIYJYEVXHPX-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CCCCN(C[C@@H]1C[C@H]1C(C)(C)C)[C@H](C)CC	1910864971	GDXLYSSTPLRACV-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
C[C@H](CC1CCC1)N[C@H]1CCC2(CCCCC2)C1	1915855267	PATNYPUZHZAQQM-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCC2(CCCC2)C1	1916435630	OWJYFUKRKFEARF-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CCC2(CCCC2)C1	1916444842	LYPZIPHQSPFEJM-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H]1CCC[C@@H](C)C1	1919959032	KOLJPEKJKLMETG-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C1C[C@@H](C)C[C@H](C)C1	1919959857	MVYIBOTXWFGDRG-RZLSGREXSA-N	240.431	4.636	0	10	BJAE	
CC[C@](N)(CC(C)(C)C(C)C)c1ccc(C)cc1	1920489025	JLGGFIFQWLPNDP-KRWDZBQOSA-N	247.426	4.631	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CN)CCCC12CCC2	1921606674	SNOHPEPEWCNGTL-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
C[C@H](C(=O)CCCC(C)(C)C)C1CCCC1	1924131148	RXXWJPDKOOGGKW-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc([C@H](N)[C@H](C)C2CCCCC2)cc1C	1924135868	OHQYNZUQKJNPQU-RHSMWYFYSA-N	245.410	4.520	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@H](C)C1CCCCC1	1924148581	MNJXUOYIUKCOJB-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1C[C@H]2CC[C@H](C1)C2	1925733454	DTLGKCISUBAVCA-ILXRZTDVSA-N	246.394	4.518	0	10	BJAE	
CCC(CC)C[C@@H](CC1CCC=CCC1)NC	1926340089	SNWNLYOXEPUIOZ-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CCCCCC(C)C	1936200083	YAUWZISLHZQOOZ-HUUCEWRRSA-N	228.420	4.636	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)C1CCCCCC1	1940882279	IXGAJWXORKCAMG-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)CCCCCC1CC1	1941584682	QDHYZGNBKVFMCN-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC([C@@H](O)CCCC(C)(C)C)C[C@H](C)C1	1943016405	JIJWNUDPJJJVGK-NFAWXSAZSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C[C@@H](C)C1CC1	1944497835	POQWABLGMWTBJV-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)C1(N)CCC2(CCC2)CC1	1944602758	UWHNLMMOAZFBJG-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)C(C)(C)C(C)C	1944666549	SEVKFRPKXUXUEO-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc(CC)cc1	1947458542	GZUVIMRAVMIJEB-GOEBONIOSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H](C)C[C@@]1(O)CCCCCCCC1(F)F	1947511847	ZZQBOXFDWQCPFB-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCC1)c1ccsc1	1947594721	ZMVNNEJJCHUJDK-HIFRSBDPSA-N	249.423	4.535	0	10	BJAE	
CCCC[C@](CC)(CNCC)C1CC(C)(C)C1	1948146709	NMFXCPMQQQZHHR-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CCCC[C@@H]1CC1(C)C)NCC	1948428959	JDNGCDHLAXHNCJ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@](CN)(CC2CCCC2)CC1	1950916505	BBZVLYHPJGIJTM-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](C)NC[C@@H]1CCCC(C)(C)CC1	1950921746	ITLJKBXEYRTUKS-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@H]1NC1CCC2(CCC2)CC1	1965978507	KBFLPANQGPMROT-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CC1CC(C)(CN[C@@H]2CCCCC23CCCC3)C1	1966300576	PRVFAIZIBDMHIB-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H](C)COc1ccc(C(C)(C)C)cc1	1968299108	OZQWBEVRVLMYPM-ZDUSSCGKSA-N	234.383	4.655	0	10	BJAE	
Cc1cccc(C)c1NCC1[C@@H]2CCCCC[C@@H]12	1968351301	GUWQEOZPQGACBH-HUUCEWRRSA-N	243.394	4.542	0	10	BJAE	
C[C@@H](N[C@H]1CCCC(C)(C)C1)C1CC2(CCC2)C1	1969844876	YMTQQQYRZFFXIC-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CC(C)(CN[C@@H]1CCC12CCC2)C1CCCCC1	1970813517	ASKKKOCKMKZMNZ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1ccsc1)C(CC)(CC)CC	1978564803	SZQLVCCQMIVYIK-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](C)N(C)CCCCCC(C)C	1990848208	BJYHOCPMMSLBKD-HNNXBMFYSA-N	227.436	4.713	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@](C)(N)C1(C)CCCCC1	1995988820	QNBIEKFJYBBXTL-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](CCCC(C)(F)F)NCC	1996612684	ZRILBMDENWZAGV-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC[C@H]1CC[C@@H](N[C@H]2CCC[C@@H](CC)CC2)C1	1997190754	ILLJSIOCGUIOQU-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C(C)(C)CC)[C@@]1(C)CC=CCC1	1997544844	XHWLDIBVARLCRW-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@@H]1CCC=CCCC1	2000000311	AZZHEOGDRCMFLY-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@H](C)C1CC1	2000505572	SGGYXXGSALWNMJ-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)[C@@H](C)CC)CC1	2003067875	YXVCQWNEMUKBDX-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CCC)c1ccco1	2003685522	LMCUWOGQJNEGQY-ZIAGYGMSSA-N	237.387	4.537	0	10	BJAE	
CCC1(C)CCC(O)([C@@H]2CCCC[C@@H]2C)CC1	2004354236	WSIJEENSUAIZEK-QRNKSROTSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](N)C1(C)CCCCCCC1	2004922645	JKWJQIIVFHTBCR-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCCC12CC2	2005541612	KZRFZCOMWPFPIO-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC1CC(C[C@H](O)C[C@H](CC)C(C)(C)C)C1	2007758043	BLGMSIAEOTYXQO-WUCCLRPBSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)C(C)(C)C(C)(C)C	2007938438	XNTROGCCNFSXRQ-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(N)CC(CC)(CC)C2)C1	2009304009	KRHXQEZRHXEAML-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@@H]1CCCCC[C@@H]1NCCC	2009616098	FZXJWNQNBXFEHP-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@H](CC(C)(C)CC)NCCC	2009627436	JTJAMTVOWVSHPC-RZIFZGNASA-N	239.447	4.927	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@](C)(N)C(C)(C)C)CC1	2010727900	ADVYMTVAWWYTSU-WBMJQRKESA-N	237.431	4.523	0	10	BJAE	
CC=CCCCC(=O)C(F)(F)C1CCCCC1	2012956197	AZWNWCFQSYMQSL-UHFFFAOYSA-N	244.325	4.518	0	10	BJAE	
CC1(c2csc(-c3ccccc3)n2)CCCC1	2014324549	PLSGGRQWYADKSN-UHFFFAOYSA-N	243.375	4.642	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H](C)[C@H]1CCC1(C)C	2014905118	VCLLCCHGOFYFAQ-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H](C)[C@H](CC)CCC(C(C)C)C(C)C	2015338714	KYATWEMKHLDAIH-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC[C@@H]1CCCCC(=O)C1)C(C)C	2015390169	IBGPBVJCBYHDTJ-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
CCC1(CCC(=O)CC2CCCCC2)CCC1	2015584222	FVEXWNLPWFGNGL-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCC1(CC[C@H](O)CC2CCCCC2)CCC1	2015599300	JQGPMWNTWYKGBK-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCC1(CN2CCCCCCCCC2)CCC1	2015634582	ZNDPQHBVIMYOGD-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
CCCC1(C[C@H]2CCCC[C@H]2NCC)CCC1	2015643559	DIUYSJFGNSDMPQ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C(C)(C)CCF	2016763934	BIGYISGYAUASKU-CYBMUJFWSA-N	245.426	4.567	0	10	BJAE	
CCC(C)(CC)[C@H](CC1(C(C)C)CCC1)NC	2017140074	CTGMPFQHTNUJBK-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@](C)(O)C(C)(C)C)CC1	2017651845	YZISKJLVPAUOSY-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)C(C)(C)C(C)C)CC1	2017652693	JWJJPVGMZBGWLU-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCC(F)(F)CC	2018184310	GSJOVLHQTXHBQT-ZDUSSCGKSA-N	249.389	4.713	0	10	BJAE	
CCCC1(C[C@@](C)(N)C2CCC(C)CC2)CC1	2018922561	AIDHTVUJQSJCDM-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CN(C1CCCCCCCC1)[C@H]1C=CCCC1	2019288510	WRTQDYLVDITNGJ-INIZCTEOSA-N	235.415	4.530	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H]2CCCC(C)(C)C2=O)C1	2020394700	WFBMKJVIDSLUJK-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)CCC1CCCCC1	2022556681	IBDGDXYEBZSDBH-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@@H]2C(C)(C)C)CCCCC1	2022557846	RHGXFJXTOIFLPY-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)C[C@@H]1CCCC(C)(C)C1	2024094458	KCTVIBOSZHECKP-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C1CC2(CCC2)C1	2026078672	GLLFOIPPTHRXCH-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)[C@H]1CCC12CCCCC2	2027006270	LOUHTHMJRDJGQF-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CC(C)=C(C)CCN1CCC[C@H]1c1ccccc1	2027024022	XILWXLZQPKDIDH-KRWDZBQOSA-N	243.394	4.570	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H]1CCc2cc(N)ccc21	2027822608	RJHDXXDFMKPVFG-JSGCOSHPSA-N	243.394	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)CCC1CCCCC1	2027887146	SXJTVCDQPJBNHH-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C[C@](C)(N)c1cccc(C2CCC2)c1	2028556761	HDZMUPRSGQOZTF-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC[C@H](C(=O)c1ccc(C2(C)CC2)cc1)C(C)C	2028589649	BLGJNNOHYKTEHI-HNNXBMFYSA-N	244.378	4.603	0	10	BJAE	
CCCc1ccccc1OCC1CCC=CCC1	2028869135	DRJXBYCWNVJBHN-UHFFFAOYSA-N	244.378	4.764	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@@H]1CCC(C)(C)C1	2033404797	XOVRFGMVIYXGIV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)ccc1F	2034264090	PJPYSSSCMFASMN-IVMMDQJWSA-N	247.357	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC12CCC2)[C@H]1CC1(C)C	2035886601	QXWXXEUKOMKQFK-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@@H]2CCCC[C@H]2C)cc1	2037084522	SRGBHQUOZOMHGG-KBRIMQKVSA-N	245.410	4.636	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)c1ccccc1C1CC1	2037126441	COLQDVCDTRNVAL-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CC[C@](N)(C1CCCC1)[C@@H]1CCC2(CCCC2)C1	2037575028	FGWLYXSAOHOCJF-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCC1CC1)[C@H]1CCC2(CCCC2)C1	2037758334	OKFSWCIVHVVPTD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@](O)(CC1=CCCCCCC1)c1ccccc1	2038171249	OBWWQDCUAWCJGC-KRWDZBQOSA-N	244.378	4.565	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)[C@@H]2C=CCCC2)CC1	2039522638	UBOBYEPNQULCOA-PRLABOORSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](N[C@H](C)C12CCC(CC1)C2)C1CCCC1	2039865384	OQRMHNNJOYXUPK-CGBMDKKTSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(N)C23CCC(CC2)C3)C1	2039871812	HTIDUBMPOHTFIV-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CC[C@@H](C)C2)c(C)c1	2040137939	LEBZAGXBFQYAOH-ABAIWWIYSA-N	244.378	4.621	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@]2(N)CC(C)(C)CC3(CC3)C2)C1	2040168441	HFJHJGRTRIVNDC-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@@H](C)N[C@@H]2CCCC23CCC3)CC1	2040641637	OMJTXALNGZSNSX-GYTBAZASSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@H](N[C@@H](C)c2ccoc2)CC1	2043068234	RPXNMUSLELJIRB-OFQRWUPVSA-N	249.398	4.679	0	10	BJAE	
CN[C@H]([C@@H]1CCCC(C)(C)C1)[C@@]1(C)CC=CCC1	2045390170	CSYSTLQHUMHNSI-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@H]1C(C)=CCC[C@@H]1C	2045746949	KVXSHJUZISLSDB-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(NC[C@]2(C)CC=CCC2)ccc1F	2047729268	OOXHIGULCUDTKV-MRXNPFEDSA-N	247.357	4.546	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@H]1CCC12CCC2	2047965056	LXUIWAATEDOFJW-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)[C@H]2CC(NC3CCCCCCCC3)C[C@@H]21	2049682631	WRKNIHHZTXVDOA-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@@H](N)CC2CCC3(CC2)CC3)CCCC1	2049860773	TWYDWNJJLABEFT-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1CC(C[C@H](N)[C@]2(C)C=CCCC2)C1	2050009322	MHXSAXRYCHEQKV-UMPYDWHISA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C1CC1)c1ccco1	2050525629	PYPUOXRIXIUSRC-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC(C)=C1C)C1CCCCC1	2055539835	KECIUIKWUQEMKA-DLBZAZTESA-N	249.442	4.824	0	10	BJAE	
CC1(CC[C@H](N)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2059177436	JMDVZDZNPAUJMJ-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H](C)c1ccccc1	2059251653	AGYHMRLQSNIDAU-BWTRYIQHSA-N	245.410	4.515	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCCC23CCCC3)CC1	2061113804	RXDBULGKNRUUCV-PBHICJAKSA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)CC1CC(=C2CC2)C1	2061696584	RONYNWVXILUTAZ-CVEARBPZSA-N	246.394	4.518	0	10	BJAE	
CN[C@@H](CCCC1CC(=C2CCC2)C1)C(C)(C)C	2061728726	NSYWHLCPQGLRSH-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063519307	CPDXNPHJPZMJPO-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
O[C@@H]1C[C@@H](CCC2=CCCCC2)CC2(CCC2)C1	2063686835	INIRAJSHIWLMEP-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H]1C(N)(C1CCCC1)C1CCCC1	2065935033	PAMMRPKHFZXZCW-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
CC=C=CCCN[C@H](C)C1CCC(CCC)CC1	2067321403	KSTLOBFKTNCXML-ALHNLYSZSA-N	249.442	4.692	0	10	BJAE	
C[C@H](N[C@@H]1CCC12CCCCC2)C1(C)CCCC1	2067516952	KCNQILKMOICOGZ-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](NC[C@@H]1CCC=CCCC1)C1(C)CCCC1	2067540609	QECIYHLNLIQECH-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)[C@@H]2CCC2(C)C)cc1	2068288551	CQAQJFAACFXKJL-VBNZEHGJSA-N	246.394	4.670	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1C[C@@H]2CC[C@@H]2C1	2068705173	SWYYPMNFJGCPET-QDMKHBRRSA-N	244.378	4.625	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCCC3(CC3)C2)CCC1	2069278638	LUDZLBFPXPSWED-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCCC1(CC(=O)c2ccc(CC)cc2)CCC1	2069282603	MCCHHLJDMXUTPP-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
C[C@H](CNC1(CC2CCC2)CC1)C1CCCCC1	2069584387	BSRUTTGGZDMXRO-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC([C@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2070963635	QJDVKNRRHBBIND-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)C2(C(C)C)CCC2)c(C)c1	2071924102	NDMRIGHCQUHADJ-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CN[C@H](CC[C@@H]1C[C@H]1C)c1ccccc1C(C)C	2072075369	GUNSSIHWDSOTMF-CKEIUWERSA-N	245.410	4.507	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H](C)c2ccoc2)CC1	2072683093	ZTQROJLILPHQSN-KKUMJFAQSA-N	249.398	4.537	0	10	BJAE	
CCCC1CCC(C[C@@H]2CNC23CCCC3)CC1	2072816698	XGLYZTAMMYWWGI-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN[C@@H]1CCCCC12CCCC2	2079449404	CFFIZNXUTCTNIR-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1C[C@H]1C1CCCC1	2079451328	PWXKDLOWABBJPR-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CCC1(N)CC(C[C@H]2C[C@H]2C2CCCCCC2)C1	2079710837	NOHYHSMYYDKQSN-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)n1nc(C2CC2)c(C(C)C)c1Cl	2079732325	ZUDPICRWIBFUSK-SECBINFHSA-N	240.778	4.508	0	10	BJAE	
CC=CCCC[C@@H](N)[C@H]1C[C@@H]1C1CCCCCC1	2079792442	ALEACHQSXAAHTB-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CCc1cc(F)ccc1NCC1(C)CCCCC1	2081944146	FUEJEKZVEUDSAI-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
CC(=C1CCC(C(C)(C)C)CC1)[C@H]1CC[C@@H](N)C1	2082174184	TVTHYIHBNWSHTI-DLDKDUQYSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2083019161	ZWKAMWBPTPNKDK-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
c1ccc2ncc(CC3CC(=C4CCC4)C3)cc2c1	2125733901	SAPFDHSTMYVMHL-UHFFFAOYSA-N	249.357	4.668	0	10	BJAE	
CCc1cc(Cl)ccc1NCC(F)=C(C)C	2212639317	ZFGFWDWHWNQCTI-UHFFFAOYSA-N	241.737	4.578	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)CC1CC1	2213574945	ZVGKZVDIMFYNFQ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218361779	QKLFDLQRESUBTR-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
NCC1(C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCCC1	2218362021	SMAMRZJNXXPQAO-MUJYYYPQSA-N	249.442	4.502	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218363223	CTLROLVIEFFMSG-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
C(CCC[C@@H]1CC[C@H]2NCC[C@@H]2C1)CCC1CC1	2218721409	RDTKZCKTJDULKL-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](O)(C/C=C/c1ccccc1)C(C)(C)C	2219062415	MGHWAQSKEBFFCD-XLNAKTSKSA-N	246.394	4.667	0	10	BJAE	
CCCC1(C[C@H](NC)C2(C)CC3(CCC3)C2)CC1	2220998912	DFLWNJMDIXSDSQ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@]1(C)CC=C(C)CC1	2221614228	UUAAVZGQRBFCPR-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCC(C)(C)CC(=O)Cc1ccc(C2CC2)cc1	2223637569	GBDRYTMGMMFFJH-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)[C@@H](C)CCC(C)C)cc1	2223969932	ZNKHPGAVBMMADY-GJZGRUSLSA-N	246.394	4.740	0	10	BJAE	
CCCCC(=O)CCC[C@@H]1CCC[C@H](C)C1	2242763588	QBHCUZKMBUSPSM-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC1(O)CCC1	2244847910	VDRJDGMVSBUJIC-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCC1([C@H](N)CC[C@@H]2CCC[C@H](C)C2)CCC1	2246664053	NXUBABCGSUUBMC-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
Clc1ccc(NCC2CC3(CCCC3)C2)cc1	2246789177	JRBXJYWKNWRVQI-UHFFFAOYSA-N	249.785	4.722	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](C)(N)CC(C)(C)C	2248878201	IPHLIBFFCXVWOT-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)c1cccc(NCC[Si](C)(C)C)c1	2249296757	FWRPMLDTFAOUFB-UHFFFAOYSA-N	249.474	4.734	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(N)CC(C)(C)CCC1(C)C	2251658257	FWAUKCNFAJHVEP-BBRMVZONSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](CC1CCCC1)C[C@H]1CCCCC12CC2	2253797595	YHXOANRHIMGXRU-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H]1CCCC[C@H]1CC[C@H]1CCCCC12CC2	2253821838	MCBSJJSWWHCOIA-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
Cc1cn(CC[C@H]2CCCCC23CC3)c(C)c1C	2253880254	IDGLXFODDUYSJV-MRXNPFEDSA-N	245.410	4.774	0	10	BJAE	
CC1(C)CN[C@H](CCC[C@H]2CCCCC23CC3)C1	2253887496	WTNFHDAXFKVWOR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Fc1ccc(NCC[C@H]2CCCCC23CC3)cc1	2253891507	QCARKBFURLOACN-CYBMUJFWSA-N	247.357	4.598	0	10	BJAE	
CCC1(NCC2CC3(CCCC3)C2)CCCCC1	2254072142	MUCCQYUUSGOTIQ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1[C@H]2CCCCC[C@H]12	2254596175	NDEJDKMVVWSCSX-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@@H]1CCC12CCC2	2254988539	LPDGXUJDZJASIB-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
CC(=CCCCC[C@H]1C[C@H]1C)c1cccc(N)c1	2257240918	MEPMTFKRHRBPDR-CABCVRRESA-N	243.394	4.889	0	10	BJAE	
C[C@H](Nc1cccc(C(C)(C)C)c1)C1(C)CCC1	2257885296	GZCUYYBFIYSDDI-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
CCC[C@@H](CC)CNC1CC2(C1)CC1(CCC1)C2	2259477633	JWZZKAINNBOKAR-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1CC2(CC(C)C2)C1	2259517761	WDZROKMZRBSFQO-XOJNLIDHSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@]23CCC[C@@H]2CC3)CCC1	2260512845	QHRCRKNOZPZEPC-CXAGYDPISA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC[C@@]12CCCC[C@@H]1CC2)C1CCCCC1	2260579777	SZBWYLXMZPEFDK-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NC[C@]12CCC[C@H]1CC2)C1CCCCCC1	2260595551	KFYCNFSGHUDWIM-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cc(NC2CCCCCC2)ccn1	2260744155	FMKASPIPPINHGC-UHFFFAOYSA-N	246.398	4.514	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](N)C1(C)CCCCCC1	2298920324	LLKNBDIQUFGYDL-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CC[C@](C)(C(=O)C[C@H](C)CC(C)(C)C)C(F)F	2299830131	BBSDXSZQALOGNM-IINYFYTJSA-N	248.357	4.699	0	10	BJAE	
CC(C)(C)CCCC(N)(CC1CC1)CC1CC1	2300165728	LSTRIIQZRXODCO-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1NCC=C(C)CCCC(C)C	2300864788	FKSWIPASJXFDAE-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@@]1(O)CC=C(C)CCCC(C)C	2300908171	AHHRREJJQKBYIN-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CCCC=C(C)CC)C(C)(C)C	2300909122	KVGWRGNDBHXNHC-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CC(C)CC1([C@H](N)CC2CCCCCC2)CC1	2301138718	ZFSPDSQZPGIOGM-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](CCCC1=CCCCC1)NC	2302356031	ITMBFUOTGGSOPT-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)NCCCC1=CCCCC1	2302358765	JWKDIADDWZJLPB-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@@]2(C)CC=CCC2)C1	2302755380	JTPQLOJLHRNEMK-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
C[C@H](CCNC(C)(C)C)C[C@@H]1CCC(C)(C)C1	2302759975	DFWFFZBZKDHEFL-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CCC(C)(C)C2)C(=O)C1	2302762527	CYEKLVBZIPEOAF-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC[C@H]3C[C@H]32)c1Cl	2302835953	IXRSJNALPXPZBP-YNEHKIRRSA-N	249.785	4.639	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CCC(C)(C)C2)C1	2302900145	BXXKUBQXARZEJH-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CC)C[C@@H](C)CC	2303567762	FHSRNLPDGZCWQL-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CC[C@@H]2C[C@H]2C)CC1	2303595928	ZBGLZWSKBXVVPW-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](CNC(C)(C)C(C)(C)C)CC1	2303600428	ILPUUEBDMWASKG-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H](CC1CC1)C1CC1	2303830831	ZSBZNWPZSFBJSP-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CN)CCCC(C)(C)C1	2307823819	PRQCSEWFIMPWOZ-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CCc2cc(N)ccc21	2307827601	ZURFNDSNBDXORQ-CHWSQXEVSA-N	231.383	4.515	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@H](CC)CCC	2307896468	UVXVHSAWJNXDLW-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CN(C)C[C@@H]1CCC[C@H](C)C1	2307903413	OMYOCPMMQARCDX-HRCADAONSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2310925105	MHSOFYDIGVBBDN-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](CC(N)(CC2CC2)CC2CC2)C1	2315439346	DBTLFMWKIQINBG-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(N)(CC1CC1)CC1CC1	2315440476	UEGSPNHWPBPGLS-CVEARBPZSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(CC=C(C)CC)CCCC12CCC2	2316489036	JPBZEUIFZBZKEQ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CC[C@H]2C[C@@H]2C1	2316503735	RAUOOCAYOLBCOR-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(=CC=C1CCCCNCC1)CCCC(C)C	2316536489	MEHPPDUQASLYTB-UHFFFAOYSA-N	249.442	4.849	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CN)C[C@H]2C=C[C@H]1CCC2	2316735467	BZIOMURDNBGQOU-INMHGKMJSA-N	249.442	4.524	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316791631	OSOPUYNSBYKCND-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc([C@@H](O)CCC2CCCCCC2)c1	2316870508	RDRIPBYQCXGXBD-KRWDZBQOSA-N	246.394	4.779	0	10	BJAE	
CC(C)Oc1ccc(N[C@H](C)[C@@H](C)C(C)C)cc1	2317820180	MQWULHLHEUFPNV-UONOGXRCSA-N	249.398	4.566	0	10	BJAE	
O[C@H](CCC1=CCCCC1)CC[C@]12CCC[C@H]1C2	2317969741	OZEYORVWHMWBRU-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)c1coc2ccccc12	2317991303	SLMPXKZTYQXERQ-NEPJUHHUSA-N	244.334	4.544	0	10	BJAE	
CC[C@H](NCCCC1=CCCCC1)C1CCCC1	2318521045	DLQFAEMMGXEKPR-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
O=C(CCCCC1CC1)CC1CC2(CCCC2)C1	2318877384	LPILEXFBYYEWRM-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CC[C@@H](CNC2(C3CCCC3)CCC2)C1	2319008290	BYUABOJBNXLFGG-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCCC[C@@H]3C[C@H]23)CC1	2319333759	GMXXTTWHRLRIRR-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](O)[C@]2(C)C=CCCC2)CC1	2320406120	KOLBMNGPCNTCBE-BRWVUGGUSA-N	248.410	4.620	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)C)c1cccc(C(C)C)c1	2320514669	BUCJXRDKOAEPMG-YOEHRIQHSA-N	247.426	4.753	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)c1cccc(C(C)C)c1	2320518607	REIIVKRVXGDIDQ-RHSMWYFYSA-N	247.426	4.882	0	10	BJAE	
CCc1cc(F)cc(NC[C@H]2C=CCCCC2)c1	2321073569	BRMNLYAGPGEHSL-AWEZNQCLSA-N	247.357	4.546	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C12CC(CC(C)C)(C1)C2	2321590340	RTZDODIOLYIQFP-RDHHWEPZSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1([C@H]2CCC[C@H](C)C2)CCC=CCCC1	2326700854	BIWWLDBEJIYYDA-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H](CC)c1ccccc1	2328280500	ARJJAFWFYMXZHQ-USXIJHARSA-N	247.426	4.724	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)CCc1cccc(C)c1	2328282538	PXMRYMSAMPQDLZ-NVXWUHKLSA-N	248.410	4.505	0	10	BJAE	
CCOc1ccc2[nH]c(C3CCCCC3)cc2c1	1518907	JFYILPLYEPATEZ-UHFFFAOYSA-N	243.350	4.614	0	10	BJAE	
Fc1cc(-c2ccc3[nH]ccc3c2)ccc1Cl	16947421	QIKNLTBMGNHGNF-UHFFFAOYSA-N	245.684	4.627	0	10	BJAE	
CCC[C@@H](C)CNc1cccc(Cl)c1Cl	19230306	FKIBUMZDFRHBHB-SECBINFHSA-N	246.181	4.842	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccc(OC(C)C)cc1	20472790	GQTYBSPSAANHCB-CQSZACIVSA-N	249.398	4.710	0	10	BJAE	
CCCCCCN[C@@H](C)c1cccc(Cl)c1	21510040	FQKOAHXCUFNSCA-LBPRGKRZSA-N	239.790	4.571	0	10	BJAE	
Cc1ccc2c(Cl)cc(C(C)(C)C)nc2c1C	36913020	UHNWUHHRWYGFAB-UHFFFAOYSA-N	247.769	4.803	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)C1CCCCC1	37267239	NTKDFDZBJFPRSW-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
C[C@@H](NCC(C)(C)C)c1ccc2ccccc2c1	40492495	NIVFGPHXAHTDFR-CYBMUJFWSA-N	241.378	4.537	0	10	BJAE	
CCC(=O)c1ccc(-c2ccccc2C(C)C)o1	54106803	PSMZRGVRDRQKAG-UHFFFAOYSA-N	242.318	4.663	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1C)[C@@H](C)C(C)C	70123536	JUFOMQQYAVBICV-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccccc2C(C)(C)C)C1	80432674	ILMMKQQCIVPWDJ-CHWSQXEVSA-N	231.383	4.585	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCCC(C)(C)CC1	83435733	CVQMBFMGFTWEIM-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC[C@H](C)[C@@H]1C	85097348	JHXYYRWYJZNLOU-OFQRWUPVSA-N	245.410	4.876	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC2(C)C)c(Cl)c1	86856067	JLQJBVHEZCJNDQ-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C2CCC(C)CC2)CC1	86895434	MFJPFLBFMCAWCT-KNIAUWFNSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CN[C@H]1CCC[C@H](C(C)(C)C)CC1	86957428	GIWHFHTVSXEMAG-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCC(=O)c1ccc(OCC)c(C(C)C)c1	107772792	FLOZZTZVCIZUBE-UHFFFAOYSA-N	248.366	4.582	0	10	BJAE	
CCCCNc1ccc(CSCCC)cc1	107791884	YDHXYHVRNDFUGJ-UHFFFAOYSA-N	237.412	4.542	0	10	BJAE	
CCC(CC)[C@@H](C)Nc1nc2ccccc2s1	111670413	NFIOCGONOQYKNK-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
CCc1ccc([C@@H](CC)NCC(CC)CC)cc1	124846671	BZTVJCJBUSPVQR-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](c1ccc(CC)c(CC)c1)[C@H](C)CC	128019156	UIXPRBJXIBYBCC-DYVFJYSZSA-N	247.426	4.508	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H](C)CC(CC)CC	128642588	IAUZGDLACZWEPJ-YOEHRIQHSA-N	247.426	4.800	0	10	BJAE	
CC(C)CCCCNC(CC(C)C)CC(C)C	134281462	JEAFYFKHZGDLQE-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
Clc1cccc(Cl)c1-c1cccs1	138109371	NVQACJXWQZMNCH-UHFFFAOYSA-N	229.131	4.722	0	10	BJAE	
CCC(CC)[C@H]1CCCC[C@@H]1CNC(C)(C)C	155682100	MQZDHKWTMFGDIP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCCCCC1	158861617	XLTJNZZIAQDLAL-IMJJTQAJSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C1(CC(C)C)CCCC1	162096720	HFVINNRFZLZTJJ-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC1CCCCC1	165792886	RIYVCYPXOPUXFC-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(C)c([C@H](N)CC2CCCCC2)cc1C	168640823	ZZFPZISTZAGRTR-QGZVFWFLSA-N	245.410	4.582	0	10	BJAE	
CC(C)CCCCCOc1ccc(Cl)cc1	197894641	QLFWMOTXHHETJY-UHFFFAOYSA-N	240.774	4.935	0	10	BJAE	
CCNC/C(=C\C(CC)CC)C1CCCCC1	211481895	XHRWIACJZXHUSQ-FOWTUZBSSA-N	237.431	4.539	0	10	BJAE	
CC(C)c1ccc(/C=C\CCNC(C)(C)C)cc1	211514509	KHRYCZZCNZEZBD-VURMDHGXSA-N	245.410	4.601	0	10	BJAE	
CCCC[C@@H](CCC)NCC1CCC(C)CC1	225979393	ZJWIEIJPTDNZHG-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCC[C@@H]1CC	225990361	WDYDVNBLVYLCKY-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H]2CCC[C@@H]2C)cc1	226524695	SFAHHGYOOOBHHC-XJKSGUPXSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCCCC2(C)C)C1	226860331	XYRKQEQSUYEDKQ-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCC[C@@H](CC(C)C)C1	230788673	YFPKRLCENJKLJL-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CCC1(CN[C@H](C)c2cc(C)oc2C)CCCC1	233092627	JIMSKIHTCBGXFL-CYBMUJFWSA-N	249.398	4.517	0	10	BJAE	
CCC[C@@H](C)[C@@H](CNC(C)C)c1cccc(C)c1	233286610	FRZJQWSFDBJWFM-NVXWUHKLSA-N	247.426	4.513	0	10	BJAE	
C[C@@H]1[C@@H](Nc2cccc(Cl)c2)CCC[C@H]1C	252154958	NCPWXCDYIKTKJQ-SUNKGSAMSA-N	237.774	4.577	0	10	BJAE	
Cc1ccc(Cl)c(C2(C#N)CCCCC2)c1C	260672083	RDQVMZXCQPZESZ-UHFFFAOYSA-N	247.769	4.682	0	10	BJAE	
CC(C)CCC[C@H]1C[C@H](C)Nc2ccccc21	300115087	BMUXKNZQLMMAFZ-KBPBESRZSA-N	231.383	4.801	0	10	BJAE	
Cc1ccc(NCC2CCCCCCC2)cc1	302249424	BORSMKZPNNSREK-UHFFFAOYSA-N	231.383	4.767	0	10	BJAE	
Cc1cccc2c1ccn2CCC1CCCCC1	302264703	POFAJRAGEXFKNA-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CCc1cc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)ccc1C	302275596	IAVCXFKRKOSBTD-LAQFHYBYSA-N	245.410	4.794	0	10	BJAE	
CC1(C)CCCC[C@H]1NC(C1CCC1)C1CCC1	302665813	ZIEDCTAVIHUEHA-OAHLLOKOSA-N	249.442	4.514	0	10	BJAE	
CSc1c(Cl)sc2ccc(S)cc12	306653650	VEKYPVXSPYBJPP-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CSc1ccc2scc(Cl)c2c1C	306873506	XTDCVVXENFAJJS-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Cc1c(C(F)F)ccc2c(Cl)csc12	307640185	DYUGFDMVVLYOCQ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@]2(C)CCCC[C@@H]2C)C1	308695671	DVQIBQBBTWNPMN-QSPRXWTASA-N	249.442	4.537	0	10	BJAE	
CSc1ccccc1N[C@H]1C=CCCCCC1	310070827	MVVFDVFGMWRQAM-ZDUSSCGKSA-N	247.407	4.709	0	10	BJAE	
CC[C@@H](C)C[C@H](CC1CCC(C)(C)CC1)NC	310128771	KCUCUBVOKMVHOK-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)c1cccc(C)c1C	310674788	MDJNCFNOFFDHSN-WMLDXEAASA-N	247.426	4.780	0	10	BJAE	
CCCCCC[C@@]1(CNCCC)CC=CCC1	316898473	TWPVJBILLPFIKN-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC(C)C)CCCC[C@@H]1C	317900506	JGDVJNDTQCRIQY-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@]1(CNCC(C)C)CCC[C@H]1C	318028704	LTQYFMQCWRHCOF-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCc1ccccc1[C@@H](O)C[C@@H](C)CC(C)(C)C	381276436	SZSSMYXEDUTTCH-CJNGLKHVSA-N	248.410	4.745	0	10	BJAE	
Cc1cc(C)cc(OCCCCCC(C)C)c1	383225952	GMMWUOJKQXDQQN-UHFFFAOYSA-N	234.383	4.899	0	10	BJAE	
CCN[C@@H](C)[C@@H](CCCCCC(C)C)C(C)C	383384797	NBKNVYSULHEWGO-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCC1(C[C@@H](N)CC2CCCCCC2)CCC1	383702110	SHJYPZKSKXKOIK-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)CC1CCC1	385262098	YPFDPZSGJJJCDY-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1[C@H](O)c1ccccc1C(C)C	387732790	STECQUPWKPEGCS-XOKHGSTOSA-N	246.394	4.526	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC2(C3CC3)CCC2)CC1	391425914	IQVLDVYMKBVVPJ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](C)(O)C[C@@H](C)C1CCCCC1	394535240	NSFMOCZUULNIHW-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CCC2)C1CCCCCC1	394875424	WFSYHWHDFNELPQ-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)(CC)CNc1cc(C)c(O)cc1C	395146923	BVMMLXWGNSIYLH-UHFFFAOYSA-N	249.398	4.637	0	10	BJAE	
CC[C@@](O)(c1cccc2ccsc12)C(C)(C)C	395494809	XUBGEROXPUICSR-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CCOc1cc(CC)c2cc(Cl)sc2c1	396184859	CMXIZDMUWJYIHG-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1ccc(Cl)c2c(CC)csc12	396185031	CTJNCBFGLWOKAB-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1c(S)sc2cc(C(F)F)ccc12	396232116	BLMPAJXRNCGGKM-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CC[C@@](O)(CCCCCC(C)C)[C@@H]1CC1(C)C	397592921	KJGLNAHHVIZUER-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCNC[C@@H]1CC[C@@H](C)C[C@H]1CC1=CCCC1	400666279	UEDUJTZTTDCAMB-PVAVHDDUSA-N	249.442	4.539	0	10	BJAE	
C1CCCC(CCCC2CC2)(CNC2CC2)CC1	405944800	BHIGDJAZDOKIRO-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CCC)c1cccc(C(C)C)c1	688922723	WXNZXCUUXRBZJO-MRXNPFEDSA-N	233.399	4.651	0	10	BJAE	
CCCCC1CCC([C@@H](N)CC2CC=CC2)CC1	692105655	LTZAXWDAHHYRAN-PREGVCBESA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCC23CCCC3)CC1	694329795	LLGXWYSFPYAIDE-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCC12CCCC2	694415076	AMMAUOVJECTAMD-CYBMUJFWSA-N	249.785	4.783	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1CCCC2(CC2)C1)C1CC1	695922255	GUVGCJHMRGFWIN-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C1=CCCCC1	696185114	GECLYKQMQXYZSY-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)C)CC(C)(C)CC	696246990	DZKGCJNWWUDMJA-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@H]1CC[C@H](C)C1	696803868	SSSLWZGNWUTPRE-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCC[C@@H]1CCCC1(F)F	698056093	VZCRFTBRFNUMJX-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1C[C@H]1C(C)(C)C	699850054	JKIUIUWHQPNEIT-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C(C)(CC)CC)[C@]1(C)CC1(C)C	701147540	JIHXVBUEWPXBOC-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)C1=CCCCCCC1	704593406	XGKOICNCKSXXIZ-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
CC1(C[C@@](C)(N)CC2CCCCC2)CCCC1	704889599	OBNSLNIZCSTXKG-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC(CCC)C(=O)[C@H]1CCCC[C@@H]1C	704962605	QKALNLRZPKWNFK-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CC[C@@H]2CCC[C@H]21	707776179	VWXURWFPRHQGOD-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H](C)CC(C)(C)C	708271324	QSDDOPFNQQGSHK-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1)[C@@]12CCCC[C@@H]1C2	709095426	LIESSSNUHNRUFL-ZOWXZIJZSA-N	249.785	4.721	0	10	BJAE	
CCc1ccccc1NC[C@H](C)CC(C)(C)C	709098686	QSPQVSXIHMRKHP-CYBMUJFWSA-N	233.399	4.733	0	10	BJAE	
Cc1ccc(F)c(OC[C@H](C)CC(C)(C)C)c1	709117531	ZFYAGWIOPZFKGX-GFCCVEGCSA-N	238.346	4.585	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)(C)C)C1(CC)CC1	709127015	KLDAGGWDFBHDOX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@H]1CCC[C@@H](C)C1	709259326	HOYISMLOKCWMOD-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cccc(C(C)(C)C)c1	709466772	QVOSBVJTKQTMMH-XJKSGUPXSA-N	248.410	4.844	0	10	BJAE	
Cc1ccccc1CCC(=O)C[C@@H](C)C(C)(C)C	711150221	YNGABWMLDRHDQY-CQSZACIVSA-N	246.394	4.569	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1cc(C)cc(C)c1	711329814	ORJHMDYAJIDGOB-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
CC(C)C(C)(C)CC(=O)CCC1CCCCC1	713365118	GXJSIDSFLNUIIG-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@]12CCCC[C@@H]1C2	718540705	PGSZKDFNDBYISL-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)[C@@]1(CNC(C)C)CCC=CCCC1	719076478	JRNHYUFCHFKIHI-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@@H]1CCCC12CC2	719308388	NEYVQSKNKXVCLC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)CC1CC(C)(C)C1	723545031	PPMGSVPDKPGKJH-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCc1ccccc1)SCC(C)(C)C	1652834834	BCSJLKYHPGUVSE-CYBMUJFWSA-N	236.424	4.787	0	10	BJAE	
CC1(C)CCC[C@H](CNCC[C@H]2CC=CCC2)C1	1658437645	ZEORTVBAIALEOB-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)CCCC(C)C	1900695781	FZTCVLIVBUHXCZ-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CCC(CC)CC[C@H](CC)CNC(C)(C)C	1900714447	VXJOYSFJSKOTAC-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@H](C)[C@@H](C)C(C)C	1901682095	KXAUNYXXELBRMR-NWDGAFQWSA-N	240.774	4.708	0	10	BJAE	
CCCCCCc1nc([C@H]2CC2(C)C)cs1	1901906867	BYJNBBUPUGZFEK-LLVKDONJSA-N	237.412	4.779	0	10	BJAE	
CCCC(=O)CCC[C@@H]1CCC(C)=C(C)C1	1902841829	VXGWJANSAQXMHL-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
CCC(CC)C(=O)C[C@H]1CCC(C)=C(C)C1	1902847707	JCEJCNNBQFZGCX-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1CCCCCC1	1905397427	FOJINCXUBMPORV-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1COc1cccc2sccc12	1910802338	UFYQTOSLOMEFCR-NEPJUHHUSA-N	246.375	4.716	0	10	BJAE	
C[C@H](CC(C)(C)C)NCCC=Cc1ccccc1	1911862789	ADDOXIBWHWXCCO-OAHLLOKOSA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](C1CCCC1)C1CC2(CCCCC2)C1	1912632354	BUBXYHQKDMHBMK-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1ccnc(C2CC2)c1	1913023558	VDEBUAZDCQODEK-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCC3(CCCC3)C2)c1	1916429574	ZZAROLPPBDGWES-HNNXBMFYSA-N	243.394	4.828	0	10	BJAE	
c1cc2cc(N[C@@H]3CC[C@@H]4C[C@H]4C3)ccc2s1	1917349829	QIIKUBGDHUIPRV-KGYLQXTDSA-N	243.375	4.502	0	10	BJAE	
CCCCCC[C@](C)(N)c1ccsc1Cl	1920198709	SXUXPMCPIUOZEB-LBPRGKRZSA-N	245.819	4.546	0	10	BJAE	
Cc1ccc([C@](C)(N)CCCC(C)(C)C)c(C)c1	1920438361	PBZDQWOCKAEKFV-QGZVFWFLSA-N	247.426	4.694	0	10	BJAE	
CCc1ccc([C@@](N)(CC)CC(C)(C)CC)cc1	1920476501	IRIULUJTPVKSJK-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
C1CCC(CCNC[C@H]2CCCC23CCC3)CC1	1921606121	UIQRXYIEXJBMOF-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H](C)C1CCCCC1	1924136067	PVSUGEATQQELMC-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1C=CCCCC1	1925787208	VCKUJRNPSJCJJP-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCC(CC)CCN[C@@H](CC)C[C@@H](C)CC	1926143025	BXGSTHCXNNRTHG-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(Cl)ccc1C[C@H]1C=CCCC1	1932600806	GSOXAZRCTXUTOM-LBPRGKRZSA-N	220.743	4.547	0	10	BJAE	
CCCN[C@H]1CC[C@H](CC2(C)CCCCC2)C1	1940405485	BZZVZZWMTZPMDT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)CC(C)(C)CC	1940864351	POGAZOFUSOZKJK-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CC1CCCC1)NCC	1941262508	FVRGWXOBSAWZPG-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(NCCCCCC2CC2)ccc1F	1941576766	LDNOEGVXKUKBKT-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CC1(CCNCCCCCC2CC2)CCCC1	1941581465	LFEVTHQSLBTGSI-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@@H]1CCC[C@H]1C	1944838495	YQBXZKNNOIBRCE-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)CC1CCCC1	1947465514	VPSCBQAOFQBEPL-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CCC[C@@](C)(CCC(F)(F)CC)CNC(C)C	1947889264	USSTUIYVTZLAAF-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)N[C@H](C)C1CCCCC1	1948324507	AKQNUDIMWRPEPU-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
CCNCC1(CC(CC)CC)CC(C)(CC)C1	1948412049	WJKRSYPQDQDRDK-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C[C@@H]1CC[C@H](C)[C@@H](C)C1)NCC	1948424475	CGQJURMEKQWEOD-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1ccc(C)c(C)c1	1948946494	HYPBMWSMLLGMDZ-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CCCCC12CCCC2	1949025288	ULBZSXUXRADFOD-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H]1CCC2(CCCC2)C1	1949494879	BGKFNWWAGFTPCE-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCC(=O)[C@H]1CCCC(F)(F)CC1	1950010909	CVZDBTOEKKYDCH-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCC(C)(C)CC1)C1CC1	1950917789	HGKXQYLQVDEPMQ-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)C1(CC)CCC1	1951238398	IZUVXWRRDKUZGN-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)c1nc(C(C)(C)CC)cs1	1960043729	HMDMETXZMOEXHI-JTQLQIEISA-N	225.401	4.734	0	10	BJAE	
CC1(C)CCC(CN2CCCC23CCCC3)CC1	1962986376	STJZRWNFIWAZMN-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCC1CCC(CN(CC)CC(C)C)CC1	1968847293	QDPZKVLIMOVLPZ-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1CCCCCCN1C[C@@H]1CCCC2(CC2)C1	1970730625	UZONMASWZJHENA-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCCCC1CC(N[C@H](CC)C2CCCC2)C1	1970935240	VMYZBHJKCBSEDD-AVVWSFFYSA-N	237.431	4.514	0	10	BJAE	
CCCC(C)(C)CNCc1ccc(C(C)C)cc1	1973168689	FJUKLULIHYMYKG-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
CCC(CC)C1(N)CCC(CC)(CC)CC1	1981060845	OCZNDZLZIPMJTH-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](Nc1cccc(Cl)c1)[C@H]1CCC1(C)C	1987991922	CBKWVUDHBUSELP-ZWNOBZJWSA-N	237.774	4.577	0	10	BJAE	
CCCCC[C@@H](N)CCC(C(C)C)C(C)C	1988258707	FLLOIEOGGMKKOP-CQSZACIVSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(CC)C(=O)CCCCC(C)(F)F	1993602256	GIYBPKQYCHBIPA-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC[C@@H]1C)C1CCCCC1	1996586640	REQUBHCJWFZVNR-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C1(C)CC=CC1	1997543644	JYMASPHFTFLLGI-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@]1(C)CC=CCC1	1997548947	KYYJHXSTUUQQKE-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1CC(C(C)(C)C)C1	1998235322	VGXUTEBIVWYRJD-HSBZDZAISA-N	238.415	4.700	0	10	BJAE	
CCCCC1(CNCCC)CC(C(C)(C)C)C1	1998236340	IBZUYHZIEUDSAP-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC[C@H](Sc2cccc(C=O)c2)C1	2000100431	VYMWXVNMBBMMRE-AWEZNQCLSA-N	248.391	4.560	0	10	BJAE	
CCC[C@@](O)(C[C@H]1CC12CCCC2)C(C)(C)C	2001258317	DMTBFYDUGHICTC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@H]1CCCCCCCC1=O)C1CCC1	2003074606	KXJGGZCUONKWLS-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@H]1CCC2(CC2)C1	2003222863	ZOOOJQVUEVNTMZ-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CCCC(CCC)CNc1cc(C)cc(C)c1	2004706310	MSCGGQUXRQIZGU-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H]1CCC[C@H](CC)C1	2007863610	UDTAWHGWENXORA-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)CCC2(C)CC2)CC1	2009535051	KXDXKOWLDZKSRD-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CCC2(C)CC2)CC1	2009543187	CZINVHQBLGRXPT-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H](C)C1CCCCC1	2009616438	JDHVWRRPCPRVFG-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H]1NCC[C@@H]1CC1CCCCCC1	2009771875	SDDDZHKZSXFMKW-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)C1=CCC(C)(C)CC1	2010712308	HYULCTBIXQWVKS-CZUORRHYSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(CCC[C@@H](O)C1CCCC1)C(C)C	2015357151	KDHCLYGGRHRWSK-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@@H]1C[C@H](C)C(C)C	2015408868	MLSTXOXWYKXERQ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H](CCC(C)(C)C)NC)CCC1	2015641620	HGFBZPZGFJUIIE-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1(CC(C)C)CC1	2015755254	PIIJJTMSXNVVIA-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)C1(C(C)(C)C)CCC1	2017131839	VVPXZKYEWWSBEV-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@](C)(NC2CCCCCC2)C1	2017625723	ZLAOZDPVQYEMAJ-MRXNPFEDSA-N	237.431	4.658	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@H]1CC[C@H](CC)CC1	2017648572	ODDAEJZQVXPVQF-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)C(C)(C)C(C)C)CC1	2017652691	JWJJPVGMZBGWLU-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CC[C@H](CCC)CC1	2017662628	KYORMCNMYLBZCM-SHTZXODSSA-N	236.399	4.908	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](CN)CC(C)C)CC1	2017728881	QBNROBUYOZYQIY-JYJNAYRXSA-N	239.447	4.604	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@H]1C=CCCCC1	2019537742	VHKZAONOVPRLFQ-HOTGVXAUSA-N	237.431	4.776	0	10	BJAE	
CCCCCC[C@](C)(O)CCC[C@H]1CC1(F)F	2019564979	AYCLKNOUMPOQDK-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC1CCC(C[C@@H]2CCCC(C)(C)C2=O)CC1	2020391821	HNPPMCDCZOSEQC-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC1(C)CCCCC1	2023319474	OGHUVUFLXZVRAO-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(C(C)(C)C)CCC2)C1=O	2024004653	QXGCFYJABPWGIL-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@@H]1CCCC(C)(C)C1	2024126748	YZVKFEJNJDGJFR-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CCC1CC(C[C@H](N)CC2(C)CCCCC2)C1	2025418668	HXCMJQOVNVYYPT-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@@H]1CC=CCC1	2027518726	VFSYWTMXYYXHAT-PBHICJAKSA-N	244.378	4.590	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C1CC2(CCC2)C1	2027723103	FLINEAQLYYASIJ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1(C2CCCCCC2)CC=CC[C@@H]1C	2027926155	LHWIHIOURKGGEG-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C1(C2CC2)CC1	2028100690	CAKJRBSYSORMKQ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1ccc(CC(C)C)cc1	2028252905	RTDLBQCVXFLEMM-DLBZAZTESA-N	247.426	4.567	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CCCCCC2CC2)c1	2028618449	GFYVOLBXZBRHRC-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1ccccc1C1CCC1	2032306437	QTZWLVVHHHECES-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNC(C)(C)C2CCCC2)C1	2033145937	ZZLWYHBWLIXFTQ-ZFWWWQNUSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CC[C@H]2CCCC[C@H]21	2034261614	HJLQINHHYKQKHE-UMVBOHGHSA-N	247.357	4.515	0	10	BJAE	
CC1(c2ccc(NC[C@H]3C=CCCC3)cc2)CC1	2035595650	ZACPCFGEWWVLNM-AWEZNQCLSA-N	241.378	4.506	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@H]1CC12CCCC2	2036099620	ZHUXXYWKAURGGS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@H](c1ccccc1)C(C)C	2037127288	SIOWBAMOHPKAKC-HOTGVXAUSA-N	247.426	4.580	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CCCC(C)(C)CC2)c1	2039386840	SUSZXPBGKISABB-CQSZACIVSA-N	244.378	4.784	0	10	BJAE	
CC(C)CCC[C@@H](N)C1CC2(C1)CC1(CCC1)C2	2039462312	QVRFSSPHVTYLJJ-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@H]1CC[C@@H](C)C1	2040144466	BRYPTKWLSMLCSF-AESZEHBQSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@H]1CC[C@@H](C)C1	2040172654	NRGYPUIYKKGLJT-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H](C)C1)[C@@H]1C=CCCC1	2043188377	STVPAADQMFZNKC-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@@]1(C[C@H]2CCC=CCCC2)CC1(C)C	2045326386	MUGQJDZQTLPEGY-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](C[C@H](C)C1CC1)C[C@H]1CCC=CCCC1	2045330371	VPIBQDMSOLWTNT-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C2(N)C[C@@H]3CCCC[C@H]3C2)C1	2045385298	OTSLKTDVVUSUMW-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CNC1CCC2(CCCCC2)CC1	2045668949	YBNRUCAENLGLDH-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C[C@H]1C=CCCC1	2045811814	AHKJUTNXCXRPMG-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCC[C@](N)(C[C@H]1CC12CCCC2)[C@@H]1CC1(C)C	2047060620	YYIBLVMWMUSKKZ-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@H]2CC23CCCCC3)C1	2047062672	PMCSVYGFCJXILM-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2C[C@H]3CCCCCC[C@H]32)C1	2047439022	WZEGTIIZHQZNFU-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@@]1(CNC2CC2)CCC12CCC2	2047930696	BELXCALKEKZGCQ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NCCC1CC=CC1)[C@H]1CCCC(C)(C)C1	2049536011	IZVOXQUYCFBZCN-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CCC2(CC1)CC2)C1(C)CCCC1	2049860000	URVSVCWPTCNXKR-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CN(CCCCCC1CC1)C[C@]1(C)C=CCCC1	2049972802	KSDKUIHEWDKULL-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CN([C@@H]1CCCC(C)(C)C1)[C@@H]1CCCC12CCC2	2053434132	OKCMGOALWCRRHX-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](C1CC=CC1)C1(C)CCCCCC1	2053667716	QSVVQCSDCKWVHD-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@@](O)(c2cccc(C(C)C)c2)CCC1	2055606535	DAQZGXZPTZBWJQ-QGZVFWFLSA-N	244.378	4.518	0	10	BJAE	
CC1(C)CC(CC(=O)C2(C)CCC3(CC3)CC2)C1	2056539891	RCWSSGBYKLRJMH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1CCC([C@@H](N)C2(C)CCC3(CC3)CC2)CC1	2056555881	BKKQHSNGMUCZPM-YMAMQOFZSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CC(O)(C[C@@H](C)c2ccccc2)C1	2058832399	YQGIBRZUNPVPGE-CQSZACIVSA-N	246.394	4.512	0	10	BJAE	
CCCCC1CC(N)([C@H]2CCC3(CCCC3)C2)C1	2059492734	QVJGWXRYSIKDJB-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](NC)C1=CC[C@@H](C)CC1	2060924951	HUJCBTLRRQBIEN-TXCZRRACSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC[C@]12CCC[C@H]1C2	2061606383	LFYHSJOWQVHYPR-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(C(=O)C(C)(CC)CC)cc1CC	2061877257	XOBCZCBKYWLUFM-UHFFFAOYSA-N	246.394	4.820	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@H]1CCCCCC12CC2	2062015872	BSRKITKUJHLHJD-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCc1ccc(N[C@@H](CC)c2occc2C)cc1	2063671440	KOMZFUPOPPIOMI-HNNXBMFYSA-N	243.350	4.714	0	10	BJAE	
C[C@H]1CCC[C@@H](NCCC23CCC(CC2)CC3)C1	2065260545	SIVQURAHRMHVAZ-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](N)CC12CCC(CC1)C2	2065301540	XDTMCOZTDXVUEI-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@]2(N)CCC23CCCCC3)CCC1	2069336743	CZXCXKRQBXIAFF-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCCC1(C[C@](C)(O)c2cccc(C)c2)CCC1	2069338762	AYBHSXAODZGKHR-INIZCTEOSA-N	246.394	4.563	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@H](C)C1CC(C)(C)C1	2074794270	HNXJRVFDQZTWJQ-UONOGXRCSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@@H]2CCC3(CCC3)C2)C1	2074891079	DTQBUOMUKKYDSH-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
C[C@@H](N(C)[C@H]1C=CCCCC1)C1(C)CCCCC1	2075406544	BNDSUNUPGFABAK-CVEARBPZSA-N	249.442	4.776	0	10	BJAE	
CC1(C)CCC[C@@H](CC23CCC(CC2)CC3)[C@H]1N	2076395014	GRIZFIJTZGYXKW-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC2CCC3(CC2)CC3)C1=O	2076451642	WPXMVHXUSNGAGF-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1C[C@H]1C1CCC1	2079337451	OBRBURBYRGGNHT-ZBFHGGJFSA-N	244.378	4.625	0	10	BJAE	
CC1(C)CCC[C@]1(N)C[C@H]1C[C@@H]1C1CCCCC1	2079671637	RHIHKDDZFABBSU-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC1(N)CC2(CCCCC2)C1	2079672416	WOEFIJZNIMHPMS-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CCC[C@H]1CCCC[C@@H]12	2081117569	FJXOBDAHEHCKFF-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(CC1CC2(C1)CC1(CCC1)C2)C(C)C	2083618050	UXHKWECKAACQND-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213273385	PRMLGOPHXKXVOP-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CNC2CCC2)CCC(C)(C)CC1	2217124062	DELBELDSFLRUGP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CN[C@H](C)CC)CCC(C)(C)CC1	2217132342	XGENGOYVZPDSCA-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CCCCC(F)F)CN[C@H](C)CC	2217145322	OLGUNIBNXIDSNY-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCN[C@@H](C)c1ccc(C)c(CCC(C)(C)C)c1	2218529217	FTIYZARDZMTJLU-AWEZNQCLSA-N	247.426	4.644	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)[C@@]12CCC[C@@H]1C2	2218727251	QJRPPNTVROEXFZ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@@H]1CC(C)=C[C@H](C)C1	2220044462	FRXHHIMPFJFEDG-RRQGHBQHSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(CNC[C@H]2CCCC[C@H]2C)CC1	2221643164	MGRMQVJDTXYWPZ-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](N[C@H]1CCC[C@H](C(C)(C)C)C1)c1ccco1	2222254941	DLPHPRXXZJQVLR-RDBSUJKOSA-N	249.398	4.535	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@H]1C[C@H]2C[C@@H]1C2	2222306835	JKHDMRJRWLVPDM-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@](O)(CC)CC1(C)CC(C)C1	2242662989	RGMWJCSOUZRIGX-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
Cc1csc(C(=O)C[C@@H]2CCCCC23CC3)c1	2246614840	OTRDNYKTBOLTDP-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CC(C)C[C@H](C)N(C)CC[C@@H]1CCC[C@@H](C)C1	2246659361	HZZBSRZFFRFRLO-PMPSAXMXSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)C[C@H](N)CC1CC2(CCCC2)C1	2246767354	MPGQKMRZZVIQEF-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCSc1cccc(N)c1	2248842197	QERHHWWXEYSYNH-STQMWFEESA-N	249.423	4.577	0	10	BJAE	
CCC1(NCCCCC[C@@H]2C[C@H]2C)CCCC1	2248854552	AOYPYSFXGOFFBA-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@H](C)C(C)(C)C	2248867305	VAAHEYCTDIVOPN-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](Nc1cccc(C(C)(C)C)c1)C1CCC1	2249233190	IOZDITTWUPOEIL-GFCCVEGCSA-N	231.383	4.585	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@H]1CC12CCCCC2	2250365777	IVHFRLHORSUCSY-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CC[C@@H](C)CCCC(C)C)C(C)(C)C	2250469124	LGYDCRYFUCSPFI-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@@]12CCCC[C@@H]1CC2	2251218196	IKQIODGKHPRGJU-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@H](N)CC[C@H]1CCCCC12CC2)C1CC1	2253807275	JTKQEVRPDNMQHC-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC1=CCCC[C@@]1(O)CC[C@H]1CCCCC12CC2	2253888415	GBMTZORNMRTZIY-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1(N)CC(C2CCCC2)C1	2254605059	LOPFDGVUJYORBQ-DFULUXCASA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@@H]2C[C@@H]2C)cc1F	2254605129	BBRXUDQUOATPSZ-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
CCCc1ccc([C@@H](N)CCC(C)(C)CC)cc1	2256297602	XDIDCKZIEXZDRH-INIZCTEOSA-N	247.426	4.855	0	10	BJAE	
C[C@H]1CCC[C@@H](Oc2cccc3c2CCCC3)C1	2257479448	KRKNYPKISFAOJI-DZGCQCFKSA-N	244.378	4.523	0	10	BJAE	
N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2CCCCCC1CC1	2258101322	FSSFEHZYEZUXEV-WNKDZCFJSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)Oc1cccc(C(=O)CC)c1	2258832078	ABGUTJGVQVBGFN-CQSZACIVSA-N	248.366	4.627	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cccc(C(C)(C)C)c1	2259431787	XSDUAVQTXOKMAG-XJKSGUPXSA-N	247.426	4.810	0	10	BJAE	
CCC[C@@H](CC)CNc1ccccc1C1(C)CC1	2259462581	IXGOTFIFPHTPEN-CQSZACIVSA-N	245.410	4.976	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@]12CCCC[C@@H]1CC2	2260525050	RKYQOQWNXSMGDY-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@@]12CCC[C@H]1CC2	2260675348	XRJNQORDDYSKPW-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@]23CCCC[C@H]2CC3)CC1	2260677400	FMDXOQAXUKBUTP-YYIAUSFCSA-N	249.442	4.645	0	10	BJAE	
CC1([C@@H](O)c2cccc(C3CCCC3)c2)CCC1	2260728047	XNDUBXJWRHJOIZ-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(CC2CC3(CC3)C2)C1	2261379547	OTVWYRGVGNVCLA-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H]([C@H]2C=CCCCC2)C1=O	2261451916	WMJGGWCQHLSSSZ-UONOGXRCSA-N	248.410	4.764	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1C[C@@H]2CCC[C@@H]21	2298226320	ZEWPEOMESQIBME-WHOFXGATSA-N	249.785	4.503	0	10	BJAE	
CCCC1CCC(O)([C@H](C)CC2CCC2)CC1	2298853586	PFJFOWGCZTVSCB-VQCLRJIVSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)[C@H](C)CC1CC1	2298915858	ORSVYECNBDMBCV-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]([C@@H](C)CC1CC1)C(CC)(CC)CC	2298927380	TXLZNJAPBLCQNO-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCC(CC)CC)[C@H]1C	2300688611	OUTHVUURNIRJQG-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCCC12CCC2	2300706513	QPRBIWJDGJIKQI-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@H](C)C1CCCCC1	2300880860	NDSIXOBCVFWEGN-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)C[C@@H]1CC=C(C)CC	2300926386	LJLVTNQRYLZHCP-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCN[C@H]1CCCCCC[C@@H]1CC=C(C)CC	2300926771	OWPIOWWGXKFTEO-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CCC(=O)[C@@]12CCCC[C@@H]1CCC2	2300926904	QABPGHRIRNRRRM-GDBMZVCRSA-N	234.383	4.662	0	10	BJAE	
CC(C)(C1CCC1)[C@H](O)CC1CCCCCC1	2301133901	QVSQYGLVNUJFAL-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C1(CN)CCCCCCC1	2301843495	JSJWIDGXHVDJCL-HUUCEWRRSA-N	239.447	4.604	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H](C)[C@@H](C)C(C)C	2301953080	NCEJQSCAXZDCQK-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CC1=CCCC[C@]1(O)CCCC1=CCCCC1	2302354532	SCXHBTXJUIJPIA-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@H](CC2(O)CCCCCCC2)C1	2302715297	DWCJTEHEDHKEHB-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2C[C@H](C)CCC2=O)CC1	2303530430	CJTJORPQQLJSQD-KCPJHIHWSA-N	234.383	4.518	0	10	BJAE	
CC1(c2nc(C3CC4(CC4)C3)cs2)CCCC1	2304405860	PBPMPKOEIRCPCM-UHFFFAOYSA-N	247.407	4.632	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CCNc2ccccc21	2307822944	ODHKBFOZMNZYOG-KGLIPLIRSA-N	231.383	4.802	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C[C@@H]1CCCC1(F)F	2307923687	LUTZOTOWCQVQPX-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)CCC[C@H]2CCCC[C@H]21	2311717469	CEJMYTSLBSNEGK-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)NCC1(C2CC2)CC=CC1	2313572582	PWSPLDLDZRKMSP-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@](C)(N)C(CC2CC2)CC2CC2)CCCC1	2313660530	QYKIGNCOTMFCJY-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CC[C@@]2(C)C[C@@H]12	2315888349	QQTPBSFNANJIPF-ZOBUZTSGSA-N	243.394	4.719	0	10	BJAE	
CCC(C)=CCNC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2316493252	XGWOQKVKHQROMT-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H]1C[C@H]2CCC[C@H]1CC2	2316782639	KRHHGEHPNBKKCA-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316870672	SUNDWQXSFKDAAW-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)CCC2=CCCCC2)CC1	2317906250	GDEYCLXIIOSBFB-RHSMWYFYSA-N	247.426	4.731	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H]2CC(C)(C)[C@@H]2C)cc1	2318227534	UQPFUJPOMLKGTQ-KCXAZCMYSA-N	246.394	4.526	0	10	BJAE	
CC(C)C1(CNCCCC2=CCCCC2)CCC1	2318526461	KCSUFINCMWVVOT-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CC[C@H]2CCC[C@H]21	2318551573	QNOLPEMTTGHDJM-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](CCCCCC1=CCCCC1)C1CC1	2318595931	ULEVWLKYJDNAOA-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@@]12CCCC[C@@H]1C2	2318886494	WUGCLRBIPVGVRO-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@H]2CCC(C)(C)C2)c1	2319107507	CGTMEBAFKGHEFS-CQSZACIVSA-N	244.378	4.784	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1NC1CCC2(CCC2)CC1	2320134050	JUBXFNFZQVKKJZ-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CC[C@H]2C(C)(C)C)cc1	2320243365	KNUACSKZIAUDKW-LSDHHAIUSA-N	244.378	4.640	0	10	BJAE	
Cc1ccc(OC[C@H]2CC[C@H]2C(C)(C)C)cc1C	2320254217	QBQZMADQZHWPHC-GDBMZVCRSA-N	246.394	4.755	0	10	BJAE	
CCC1(CN(C)C[C@@H]2CCC(C)=C(C)C2)CCC1	2320386876	BBBDMHRJPYBHBM-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC=C(C)[C@@H](NCC)c1cccc(C2CCC2)c1	2320651251	FDOCNTHPXRBOKP-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCCCCC1CC(N)([C@H](CC2CC2)C2CC2)C1	2320778593	HCNBZSWFGUELJO-ARWYELJZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@](O)(CC)c1cccc(C)c1	2328211522	ZUWRUKICJXSFNK-NVXWUHKLSA-N	248.410	4.809	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2ccccc2C)cc1F	21012208	MTWKXMZMHXRTCM-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
Cc1ccc(C)c(C(=O)CCC2CCCCC2)c1	37353581	WXYDSRKFLYRGMY-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CCc1cccc(C)c1N[C@H](CC)c1ccco1	54106079	MUGVXNZJYCDGFB-CQSZACIVSA-N	243.350	4.714	0	10	BJAE	
CCCC1CCC(N[C@@H](CC)CCC)CC1	71106163	MEUWAUFWXYBVFU-SLTAFYQDSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@H](O)c1cccc(Cl)c1Cl	82679932	USOASCCQXCXOHH-NSHDSACASA-N	247.165	4.607	0	10	BJAE	
CCc1cccc(CC)c1NCCC(C)(C)C	83360393	WNCMFLOJNGNKQT-UHFFFAOYSA-N	233.399	4.660	0	10	BJAE	
CC(C)c1ccc(O[C@H]2CCC[C@H](C)C2)cc1	85151400	ULVCEJOMQSJCIA-BBRMVZONSA-N	232.367	4.768	0	10	BJAE	
CC(C)c1ccccc1O[C@H](C)c1ccccc1	85151534	NJBMIXSJTWVVTE-CQSZACIVSA-N	240.346	4.950	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1C[C@H](C)CC(C)(C)C1	88296405	HSZPMQGPKFPHNL-ZQDZILKHSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCCCC2(C)C)cc1	94278385	RGGOWGJJFJXZIF-ZBFHGGJFSA-N	245.410	4.614	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1CCCc2ccccc2C1=O	103930289	AJNQFEUJFHANDR-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1ccc2ccccc2c1	103933788	UIMDXNIPCTYYKY-DYVFJYSZSA-N	242.362	4.700	0	10	BJAE	
CC1CCC([C@@H](N)c2ccc(C(C)C)cc2)CC1	109736735	HCKFMKCNUASUGR-PUJMQQBBSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1ccc(C)c(F)c1	111745965	WFFGGWPUYTTXOI-TZMCWYRMSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@@H](NC(C)C)C1CCCCCC1	129543344	NZEYFWFMFRFYLG-OAHLLOKOSA-N	225.420	4.514	0	10	BJAE	
Cc1sccc1-c1ccc(C(F)(F)F)cc1	148323801	BMMQAGPWBXPSEV-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H]1CCC(C)(C)C[C@@H]1C	155957509	RTWHVAJIFNTMMJ-GZBFAFLISA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)c1cccs1	161429680	RPRRMRHSTFFFME-AWEZNQCLSA-N	249.423	4.679	0	10	BJAE	
CC(C)CCC[C@]1(O)CCCC[C@@H]1C(C)(C)C	165574115	DGJNSNYCCKSAIZ-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](CC)c1ccc(C)cc1	212709147	PXMWYXBRRMEOPA-IRXDYDNUSA-N	247.426	4.657	0	10	BJAE	
CSc1cccc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1	221607056	KYZIYKXJLCWTND-TYNCELHUSA-N	249.423	4.645	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCC[C@H](C)CC1	224953762	CSXQNAWKJLNLCD-AAEUAGOBSA-N	235.346	4.515	0	10	BJAE	
CCC(CC)C[C@H](N)C1(CC(C)C)CCCC1	229156496	ZLCAULSMVOZZOO-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](O)c1cc2ccccc2s1	229197079	QLNUZHBITPPBQL-GFCCVEGCSA-N	234.364	4.515	0	10	BJAE	
CC[C@H](C(=O)C1CCCCCC1)c1ccccc1	229433458	XFXHNWUZOWCTPB-INIZCTEOSA-N	244.378	4.720	0	10	BJAE	
CCCN[C@@H](CC(C)C)C1=CCCCCCC1	233106965	JGISJSAQFHQWJR-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](CCC(C)C)c1c(C)cccc1C	233123361	FHJGRQLOILZBDR-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
F[C@@H](C1=CCCCCC1)c1cccc2c1NCC2	236134418	JJTVAISVTKWDJI-HNNXBMFYSA-N	245.341	4.556	0	10	BJAE	
FC(F)(F)c1cc2ccccc2cc1Cl	238587189	DCXVSYDRWTXSHH-UHFFFAOYSA-N	230.616	4.512	0	10	BJAE	
CCCCC[C@@H]1C[C@H](CC)CC[C@H]1CNCC	250840816	XRKAMSZYXWYODN-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@H]1C(C)C)c1ccco1	251270214	OUQOFOVOMMVKBD-KKUMJFAQSA-N	249.398	4.535	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccc(Cl)cc2)C[C@H]1C	251793619	LRKMPRDHNPLBDM-GYSYKLTISA-N	237.774	4.577	0	10	BJAE	
Cc1ccc(N=Cc2ccccc2Cl)c(C)c1	254292579	HLXNFIRFPSRRFO-UHFFFAOYSA-N	243.737	4.707	0	10	BJAE	
CC[C@]1(C)Nc2cccc(Cl)c2[C@@H](C)[C@H]1C	257987072	BDQCOPRYVPDYIJ-RBZYPMLTSA-N	237.774	4.674	0	10	BJAE	
CCNC[C@H](CCCC(C)(C)C)C1CCCC1	302344329	VLVOPJINYGWZND-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@](C)(CCCC(C)(C)C)C1CC1	302363162	YAYJECQGIIMBMS-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C(C(C)C)C(C)C	302568404	OMAMJDLDTVAJEM-INIZCTEOSA-N	241.463	4.719	0	10	BJAE	
CCc1cc(N[C@@H]2C[C@@H](C)CC[C@@H]2C)ccc1C	306057621	VWYVHMPDGBRULW-RVSPLBMKSA-N	245.410	4.794	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)c1cccc(CC)c1	308023470	VONSZDUSAKAIHR-RDJZCZTQSA-N	248.410	4.745	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C[C@H](C)CC(C)C	308030430	NWBCULNEVQTUIT-OAGGEKHMSA-N	242.447	4.882	0	10	BJAE	
Cc1c(Cl)cccc1C(=O)[C@@H](C)CC(C)C	309143233	BSGJYKTUWURICT-JTQLQIEISA-N	238.758	4.513	0	10	BJAE	
Cc1cccc(Cl)c1NCC1(C)CCCC1	309307347	DMMPMRCMVQELQT-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)[C@@H]1CCC[C@@H](CC)C1	310061317	RPLTZVCWSSMUOQ-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@]1(CNCC(C)C)CCCC[C@@H]1C	318533268	QLXAMRUMTNERIW-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(O)CCC2(CCCC2)CC1	319073117	YUNLGPLKIIKLLF-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)CCC[C@@H](C(C)C)CC1	319608991	MBUGEXMPDZUBJM-JONQDZQNSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](Nc1cccc(C(C)C)c1)C1CC1	379744046	ZJHKZWTUWZIUPZ-INIZCTEOSA-N	231.383	4.801	0	10	BJAE	
COc1cccc2c1ccn2C1CCCCCC1	380657662	RFXVXWKBUHCNLU-UHFFFAOYSA-N	243.350	4.545	0	10	BJAE	
Cc1cc(O)ccc1-c1cc2ccccc2s1	383657778	IPRUUSYQWQAHIE-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCCC1(C)C)c1ccccc1	384684140	AZNOAAWFPHAFHW-ZFWWWQNUSA-N	244.378	4.576	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@@H](C)c1ccccc1	384991496	VFSVLDMJXQSNED-NVXWUHKLSA-N	247.426	4.595	0	10	BJAE	
Cc1cccc(OCCC2=CCCCC2)c1C	385266736	ZJDOGPGPVCMEKM-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CCC1CCCC1	386645686	RYODPNCFZTYGQU-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CCc1csc2c(C(F)F)c(C)ccc12	396203490	SYIIGSFTYRWCEO-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CSc1ccc(C)c2c(C(F)F)csc12	396402392	GUKKWZQPKMYKRP-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CSc1ccc2sc(C(F)F)cc2c1C	396404352	JQLAHILWBBUUSE-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCC1CCC(CN)(CCC2CCC2)CC1	398626333	HXWZHDYTGHYWAN-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](C)C(C)(C)C)cc1	399144373	DAHCOCMZWAAGSM-GFCCVEGCSA-N	232.367	4.504	0	10	BJAE	
CN[C@@H](c1c(C)cc(C)cc1C)[C@H](C)C(C)(C)C	399203426	RIPWETSSYLMZPG-GOEBONIOSA-N	247.426	4.555	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)C1CCCCC1	402174239	VKCVMQNFSZUDMZ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CCC(C)(C)C2CC2)C1	406072743	OXYDFPJXHFUAGS-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1cccc(C(C)C)c1	688951771	ZTRFODNMFCGKIM-CZUORRHYSA-N	233.399	4.507	0	10	BJAE	
CC[C@H](N[C@@H](C)CC1CCCCC1)C1CCC1	689776135	DUYJLHVBFFSNIM-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]([C@@H](O)c1ccc2sccc2c1)C(C)(C)C	691822006	JNIDRHPZSJBUGE-IINYFYTJSA-N	248.391	4.617	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@H](C)C1CCC1	692761862	VHMVLTGFHWCJCP-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)[C@@H](C)C(C)C	696548448	BNGVGUPRFJNCQM-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)CNCCC(C)(C)CC	696736151	OILGSCFBGAPERO-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCC[C@@H](C2CC2)C1	696805190	GDMYXALNEKIOIP-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCCC(C)(C)[C@H]1CC[C@@H](C)CC1=O	697805531	BSMFCKYPYPNFHA-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
CC[C@](C)(NCC1CCCCCCC1)C1CC1	701116062	FNKKZXZAEGNGKH-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)[C@]1(C)CC[C@@H](C)C1(C)C	701389931	QLKZVPRUVGTZPY-WBMJQRKESA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)C[C@](N)(CC)CCC	704868208	RKFUXNXDDBMYBN-KGLIPLIRSA-N	213.409	4.501	0	10	BJAE	
CCC[C@@](N)(C1CCC(CC)CC1)C(C)(C)C	704913267	KFUZTJIYFDPGES-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(N)CC1CCCC1	704915245	RQEDBAGTRXTOQU-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Oc1ccc(C(C)(C)C)cc1	704925478	LBJJXBVWKPCFIN-CZUORRHYSA-N	246.394	4.942	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CCCC(C)(C)C	704959840	XMSQJEJXDQENII-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC1(C)C[C@]1(C)CNC1CCC2(CCCC2)CC1	706545448	WSKATKYTPAIMDH-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@@H](N)[C@@H](C)CC(C)(C)C)CC1	708314503	LMCPCEKZDROSKH-OOJKYFRXSA-N	239.447	4.602	0	10	BJAE	
CC(=O)c1ccc(-c2ccc(Cl)cc2C)cc1	708451343	CBZGAAVIKMGVHH-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@H](C)C(C)(C)C	710753737	NPYVABOHLWLLTH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc([C@@H](N)C[C@H](CC)C(C)(C)C)c1	711121606	PINRNUBBPZFTBR-HOTGVXAUSA-N	247.426	4.711	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2C[C@@H]3CCCC[C@@H]32)CC1	712368810	FCJWZIZGDKFKDG-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)CC(C)(C)CC[C@H]1C	713027813	CSYPPQHHBPBTGX-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)CC[C@@H]2C)c(F)c1	713064954	KABCQTDPXWYIKO-SWLSCSKDSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CC[C@H](CN)[C@H](CCC(C)=C(C)C)C1	718497576	ULYVZEWOHWHCFT-BZUAXINKSA-N	237.431	4.524	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)CCC(C)=C(C)C	718606156	QPQFYEHSYGIWPH-SJORKVTESA-N	246.394	4.678	0	10	BJAE	
CC(C)=CCCc1cccc(C(C)(C)C)c1O	718629829	VJGDDCNGAJYVKI-UHFFFAOYSA-N	232.367	4.589	0	10	BJAE	
Cc1csc(C)c1C(=O)[C@H]1CCCC2(CC2)C1	724988858	LPYOMYGIOPKRRN-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CC[C@@H](C)CS[C@H](C)c1ccc(F)cc1F	1643784858	ASDUGSNOPZUMPR-NXEZZACHSA-N	244.350	4.805	0	10	BJAE	
CCC[C@@H](NCC(C(C)C)C(C)C)C(C)(C)C	1658135460	FVCXQUXVGUPVDM-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CCCCC(=O)CC=C(C)CCCC(C)C	1900873720	GOPPRJXCSCLINL-UHFFFAOYSA-N	224.388	4.908	0	10	BJAE	
S=c1cc(-c2ccsc2)[nH]c2ccccc12	1903137513	CXSFLKDKUMEKCU-UHFFFAOYSA-N	243.356	4.626	0	10	BJAE	
CCC[C@@H](C)C(=O)CC[C@H]1CCC(C)(C)C1	1903411870	OOHYYPMMCRSVOT-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1csc(C)c1C	1905450935	QZSAWIFRDXUSRG-TZMCWYRMSA-N	239.428	4.581	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@@H](C)C(C)(C)C)CC1	1909703088	KBUYFQMVBARUQM-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)C1CCCCCC1	1910807610	KHFJCEJWOLXGKC-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@H]1CCCCCCCCC1=O	1913389686	MIXBBSVQKPALJZ-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H](CN[C@H]2CCC3(CCCCC3)C2)C1	1915865889	GRWLAYAYPRDMGL-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@H]2CCCC23CCC3)C1	1921585372	FOKVCSMRTUEZAL-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@@H]1CCCC12CCC2	1921586592	OTVGPPPMIZRLJS-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(CO)C1CCCC1	1923909980	WLDYHBTVFLHORO-HOCLYGCPSA-N	240.431	4.782	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@](N)(CC2(C)CCCCC2)C1	1940408190	SFQLVMUGCRDAFQ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)[C@H](C)CCC	1940855064	CIGDPHXNPRYDCP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCCCCC1CC1)NCCC	1941584521	AIESZBWFZFFOGP-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@@H](C)CCC(C)C	1942655788	BFFOLCPIXOINBI-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)c1ccc2c(c1)CCCN2	1942656591	BYVRKKFYKQHVQL-ZDUSSCGKSA-N	231.383	4.584	0	10	BJAE	
CCC[C@@H](CC)Nc1ccccc1C1(C)CC1	1944596218	LPOFEDRMOHSFQA-CYBMUJFWSA-N	231.383	4.729	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1CCC[C@H]1C)NC	1944819768	MGIQXXMTGFGJPC-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1[C@H](C)[C@H]1CC	1945692712	KSVZRHULWYFCHO-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@H]1CCCC2(CCCC2)C1)C(C)C	1946456509	YIZAQMVTNFCIAD-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC(C)(F)F)NCCC	1947989125	VNESIDCJCQSUMZ-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)[C@@H]1CCC(C)(C)C1	1949421541	NJQCGGPFFIMWFP-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)[C@@H]1CCC(C)(C)C1	1949553657	ZZXUHNIBWHFKEY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC1CC(C)(C)C1	1949734032	NHVZWLWGZUBWQV-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](CO)(C[C@@H](C)C(C)(C)C)CC1	1950910508	HHFZUKODKCGGCP-IIAWOOMASA-N	240.431	4.638	0	10	BJAE	
CCC(CC)[C@@]1(CNC)CCCC(C)(C)CC1	1950914434	PSLMMXXRNZZQMG-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCCC(C)(C)CC1	1950917591	GJLJJZVRLWJLIA-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@@H]1CCC[C@@H](C)CC1	1950925444	TVFQHXBPBXTLBT-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)NC[C@@H](C)C1CCCCC1	1963229846	UXHSVJAKQUVBFR-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2CCC3(CCC3)CC2)[C@@H]1C	1967790278	ICSKATPXVFEIMZ-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CCNC2CC[C@@H]3C[C@H]3CC2)CC1	1967833635	DKDJPDKCQCPWMP-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NCC2[C@H]3CCCC[C@H]23)cc1	1968295173	RXCYCLKFHSAYRP-HOTGVXAUSA-N	243.394	4.658	0	10	BJAE	
CCCC[C@H](CC)CN1CCC12CCCCC2	1969769181	CVCAHYFWBCCCKI-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CC(C)CN(C[C@@H]1CC[C@@H](C)C1)c1ccccc1	1970692612	SQHASLQOPBNECJ-HZPDHXFCSA-N	245.410	4.585	0	10	BJAE	
CCC[C@H]1CCCN([C@H]2CCC3(CCCC3)C2)C1	1970705355	PIAYUQVLRKAJKD-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H](C)C[C@@](O)(CC)C1CCCCC1	1975960165	WNPKOMBJBIKXCQ-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC(=O)c1cc(-c2sccc2C2CC2)cs1	1987179195	GETOCEZEUHEIPZ-UHFFFAOYSA-N	248.372	4.557	0	10	BJAE	
CCCC[C@@](C)(O)CCC(C(C)C)C(C)C	1988261314	BCRBQVDVGLJMRE-OAHLLOKOSA-N	228.420	4.636	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(C)cc1C	1989819550	STXUEIKNHHBXJX-CYBMUJFWSA-N	219.372	4.540	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)C(C)(C)CC	1990100602	SVYHATABDYMOSM-KBPBESRZSA-N	227.436	4.760	0	10	BJAE	
C[C@@H]1CC[C@H](CC(C)(C)CCNC(C)(C)C)C1	1996247001	DJLQRLREGDLIGX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@@H](C)C1CCCCC1	1996610408	IYQINFXGUHLOQZ-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CNC[C@@H]1CCC[C@@H](CC)CC1	1997101022	VLKGCPLSWFHHSU-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](CCCC(C)C)CCC[C@H]1CC1(C)C	2000253799	MLFICRQNJKQLKO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@]1(C)C=CCCC1	2003325369	XZNXEBBKLKOCRB-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)c1csc(C2(C3CCC3)CC2)n1	2004529441	HXICXJMXQUMQSG-UHFFFAOYSA-N	249.423	4.662	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)C2(C)CCC2)c(C)c1	2004833769	LHHVOHNGLSHFME-AWEZNQCLSA-N	231.383	4.602	0	10	BJAE	
CCC(C)(C)C[C@@H](N)[C@@H]1CCCCC12CCC2	2005595046	KSRNZEJGCOBTRA-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@H]2C=CCCCC2)C1	2006660467	GZPKKGZCSQXPJO-SOUVJXGZSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2CCC=CCCC2)CC1=O	2006933072	OIIPPVRHZHMMGS-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)C1(C)CCC(C)(C)CC1	2007693516	GCCLNAUONYMPPT-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CCC)NCC1CC(C(C)C)C1	2007808188	PSNJUUXFXQPUHE-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCc1ccc(F)c2ccccc12	2009593552	BSHKNGZQDUHHAG-UHFFFAOYSA-N	228.310	4.878	0	10	BJAE	
CCCCC1CC(O)(CC2CCC(C)CC2)C1	2009713665	DFELPFAFWCKDTL-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(CCN(C)C[C@@H](C)C(C)C)C(C)C	2015392416	PAVAGYWOZSKWGU-OAHLLOKOSA-N	241.463	4.529	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@H]1C[C@@H](C)C(C)C	2015408871	MLSTXOXWYKXERQ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](CC1(CCC)CCC1)NCC	2015640419	RUFUMXYECBTPRS-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC1(CC[C@@H](N)CC2CCCC2)CCC1	2015641492	FVUGQBFUNPPCIC-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)C[C@H](NC)C1(C(C)(C)C)CCC1	2017131701	UCSKUSHZZDFXFM-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1ccc(-c2c[nH]ccc2=S)cc1	2017184521	AMCVSROQJOZKQT-UHFFFAOYSA-N	243.375	4.709	0	10	BJAE	
CCCC1CCC(CC(C)(C)C[C@@H](C)O)CC1	2017714627	HMKCZZHUKCICQN-WLYUNCDWSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@H](O)C(C)C)CC1	2017727334	YSDYQLNGPBZHEM-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(C[C@H](C)[C@H](C)NCC)CC1	2017728454	LZSFNRIGMTZUSJ-FXQLRMTLSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@H]2CCCCCN2)CC1	2017734968	STOZXYCYCSHOEF-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@](C)(NCCC2CCCCC2)C1	2017918032	NZXCXXBAYMJSAM-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@]12CCCC[C@H]1C2	2018633269	VBTWUUKBZQQTEK-YCPHGPKFSA-N	236.399	4.598	0	10	BJAE	
CCC1(C[C@H]2CCCCCCCCC2=O)CC1	2018924907	OUCRBQSGXNGPDE-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
CCCC1(CC[C@H](N)CC2CCCCC2)CC1	2018996293	GPRCHEMIMUGYFJ-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2CCCC(C)(C)C2=O)C1	2020394911	YCCYQBMOXNNUON-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](NCC)C(C)(CC)CC	2022485196	RKRHHXQLIMUSFK-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1C[C@@H]1C[C@@H](N)C1CCCCCCC1	2022562609	KAPRBTDSMVLXJT-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@](O)(CCCCC(C)(F)F)CC1	2023312047	QYBDLKSJQUXDIZ-GXTWGEPZSA-N	248.357	4.533	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)CC(C)(C)C1(C)C	2025004112	ONZGLQOOEZWFCY-BLLLJJGKSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CC(C)(C)C1(C)C	2025011535	RRUMGUYCJURXFA-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2CCC=CCC2)CC1	2028872653	JPMQDOAXQUITSI-KOMQPUFPSA-N	248.410	4.908	0	10	BJAE	
CC1(C)C[C@H](NC2CCCCCC2)CC2(CC2)C1	2030287996	LCNUIUFJVLAIIL-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)[C@@H]1[C@H](C3)C1(C)C	2032440831	QEKQZPYIPFCSOX-LRDDRELGSA-N	239.362	4.587	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@H]1CC(C)=C[C@@H](C)C1	2035404269	PAMYTIXNSAIZPL-DZUCGIPZSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NC[C@]1(C[C@H]2C=CCCC2)CC1(C)C	2035603884	XJNFDTRXXCTWAM-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C[C@H](C)c1ccccc1	2036383448	ONQXDXIZTDVARQ-YQQAZPJKSA-N	248.410	4.613	0	10	BJAE	
NC1(C2=CCCCCCC2)CCC2(CCC2)CC1	2037078480	PTOZPLPFDPRPBO-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
CCC(CC)C[C@@H](N)[C@@H](c1ccccc1)C(C)C	2037096394	CRIYIUFNIZDFET-IAGOWNOFSA-N	247.426	4.580	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@H]1C=CCCCC1	2037273370	RAKMJEZGWFNJIH-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CCCc1ccc(-c2ccc(N)c(C)c2C)cc1	2037362319	DGPXPFWIKUMGPM-UHFFFAOYSA-N	239.362	4.505	0	10	BJAE	
C1CCCC(NCCC2CC3(CCC3)C2)CCC1	2038103087	JWONFXJGFUOORB-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC2(CC([C@@H](N)C3CCCCCC3)C2)C1	2039461648	ILSXAXYUEHXBGJ-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
NC[C@@H]1CC12CCC(CCC1CCCCC1)CC2	2040470999	DRSLRAROQMWCQJ-CGZBRXJRSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](N[C@@H]1CC12CCC2)C1CCC(C)(C)CC1	2040683953	OKHINYHHCMZMCS-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@@H]1CCC[C@@H](C)[C@H]1C	2043194923	QDDLSYDOPBTGQI-KCYZZUKISA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C2CCC3(CC2)CC3)C1	2045511866	KRAGIOGIZKSUGL-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@H]1C(C)=CCC[C@H]1C	2045748588	LVKUGNBFOOJKHF-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@@H]2CCC23CCC3)C1	2047960113	WNRDWYRDCQLYEZ-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)[C@@H](C(=O)CC1(C)CC1)c1ccccc1	2048875419	WCTKHMUFTJHJIK-XJKSGUPXSA-N	244.378	4.576	0	10	BJAE	
C[C@H](NC[C@@H]1CC=CCC1)[C@H]1CCCC(C)(C)C1	2049527667	DNDQDHKTLSHGHC-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@H]2CCC3(CC3)C2)CC1	2049857294	SHOPGZSPFBMEQF-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)[C@@]1(C)C=CCC1	2050004126	VKSHEKYGFDVGEP-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC1(C)C)[C@]1(C)C=CCC1	2050007466	PZFLNQBKUVKLCQ-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@H]1C=CCCCC1	2050449423	IFQFUPCJYPMRKD-OAHLLOKOSA-N	242.362	4.704	0	10	BJAE	
CCC[C@@H](C)CC[C@H](NCC)c1ccccc1C	2050457968	IUHOTLQEGVVGPW-PBHICJAKSA-N	247.426	4.862	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@H]2[C@H]3CCC[C@H]32)CC1	2051593380	FLCBCNUHMKLUMU-QDMKHBRRSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@H](N)C1(C)CCCCCCC1	2052474947	GBXLYBXYHKCXAK-INIZCTEOSA-N	245.410	4.745	0	10	BJAE	
CC1(CN[C@@H]2C=CCCCCC2)CCCCCC1	2052512193	DSCIKSKEIWQMSR-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@]1(CN)CCCCC12CCC2	2053409437	FAWPDNKWFVZTEP-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC(C[C@@H](N)[C@H]2CCCCC23CCC3)C1	2053416270	QBSWDNVNESRJJT-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@]1(CNCC)CCCCC12CC2	2059252564	JENGRQJNTNZCOL-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
N[C@H](CC[C@]12CCC[C@H]1C2)C1CCCCCCC1	2061574763	KZZIFGYPOQIBNJ-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
Cc1cc2ccccc2n1CC[C@@]12CCC[C@@H]1C2	2061603638	UXSIOEIIFFSNPQ-NVXWUHKLSA-N	239.362	4.530	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC[C@@]12CCC[C@@H]1C2	2061607393	QNHIPLGXSCXEKN-BFYDXBDKSA-N	248.410	4.886	0	10	BJAE	
C[C@@](O)(CC1CCCC1)CC1CC(=C2CCC2)C1	2061685460	REPYVBCLIGIMOP-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1C[C@H](CC2CCCC2)CC2(CCC2)C1	2063637928	OLGPSTRZZLZDAH-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@](CN)(CC23CCC(CC2)CC3)C1	2065327444	MDDARRHDYRHYFB-ZGRYLRDCSA-N	249.442	4.502	0	10	BJAE	
C[C@H](CC(N)(C1CCCC1)C1CCCC1)C1CC1	2065935259	ASMKELQRVFLOHZ-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
NC(CCC1CCC1)(C1CCCC1)C1CCCC1	2065936296	AQZIBHMNFNHMRY-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC=C=CCCN[C@@H]1CCC[C@H](C(C)(C)C)CC1	2067326094	UNUBEBQMFOZJPE-IYQHXOCTSA-N	249.442	4.692	0	10	BJAE	
NC1(CC2C[C@@H]3CC[C@H]3C2)CCCCCCCC1	2068770749	QOCJPALMESDSKI-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C(=O)CC2CCC(C)(C)CC2)oc1C	2068909424	YPSLXBZNTRSACU-UHFFFAOYSA-N	248.366	4.686	0	10	BJAE	
CC[C@H](CC[C@@H]1CCc2ccccc2N1)C(C)C	2070272973	LZOQDPQGUNIKCG-GDBMZVCRSA-N	245.410	4.876	0	10	BJAE	
CCCCCC[C@@H](O)C1CC(c2ccccc2)C1	2071395443	GEQYUMGDMZXIGM-OFLPRAFFSA-N	246.394	4.512	0	10	BJAE	
Cc1ccccc1C(=O)CCC1(C(C)C)CCC1	2071913555	SPDKHWSTBLHOST-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
Cc1ccccc1C(=O)CC1(C(C)(C)C)CCC1	2071919105	HEZGQHIHPUWMPP-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
Cc1ccc([C@@H](N)CC2(C(C)C)CCC2)c(C)c1	2071954681	XKQVKVPRMCPVOF-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CC2(C(C)C)CCC2)c1	2071957057	WKVPILVOXROSMM-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1cccc(C)c1F	2072416872	KBPOZJGTEXVDJQ-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
C[C@H]1CC[C@H](CCC[C@@H](N)c2ccccc2)CC1	2072819416	CWVAMFWIMFZWNN-BFYDXBDKSA-N	245.410	4.683	0	10	BJAE	
CCCC1CCC(CC(=O)[C@]2(C)C=CCC2)CC1	2072879628	VXRJUKWXNKHLMW-VMBOVVBDSA-N	248.410	4.908	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccccc1[C@@H](C)O	2073344256	BPMHCRBDUMKWHO-KGLIPLIRSA-N	249.398	4.511	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CC[C@@]23CCC(C)(C)C3)C1	2074890871	CVUXPHQZICLZBV-HLLBOEOZSA-N	249.442	4.610	0	10	BJAE	
CC(C)c1ccc(CN2CCCCCCC2)cc1	2074994345	SGJHTHGPBHJPHO-UHFFFAOYSA-N	245.410	4.576	0	10	BJAE	
CCCN[C@H]1[C@H](CC2CC=CC2)CCCC1(C)C	2076408190	SICGQDNUIBSDEQ-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCCN(C[C@]12CCCC[C@H]1C2)C1CCCCC1	2076591723	RFBNIZPVXPQYOY-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
C[C@H](Nc1ccccc1C1CCC1)C1(C)CCC1	2077264149	LAEOIECBLHCNCY-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
Cc1ccc(N[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)cc1C	2077360245	OLMAPVDKXKMNMY-DZKIICNBSA-N	243.394	4.540	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1C[C@@H]1C1CCCCCC1	2079426363	ALEACHQSXAAHTB-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1ccc(CC(C)C)cc1	2079476300	QJRGMBYJUUQDOD-HZPDHXFCSA-N	244.378	4.504	0	10	BJAE	
CCCC1(CN[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079526380	FFTKVQKRZPYUNS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@H]1C[C@H]1C(C)(C)C	2079849953	BULSEEHKSCWJKB-DZGCQCFKSA-N	244.378	4.640	0	10	BJAE	
O=C(CCC1CC1)C[C@H]1C[C@H]1C1CCCCCC1	2079850327	FAVLPTFZUCPZTJ-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@H]3CCCC[C@H]32)c1	2081142077	VKHAPGFHIPYRMJ-DJIMGWMZSA-N	243.394	4.766	0	10	BJAE	
C[C@H](C1CCC(C)(C)CC1)N(C)CC=C1CCC1	2081795357	JZEISHOEMWFIGL-CQSZACIVSA-N	249.442	4.633	0	10	BJAE	
CCc1cc(F)ccc1NC[C@@H]1CCCC[C@H]1C	2081943959	CNHGRZZBUXSFCK-OCCSQVGLSA-N	249.373	4.626	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](C)[C@@H]1CCC1(C)C	2081946994	NMEVICRZKZYBAL-RISCZKNCSA-N	249.373	4.625	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2[C@H]3CCCCC[C@H]32)C1	2083040212	CQADPADBPBVAFB-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)C(C)(C)C2CC2)c1	2083555182	MZTKMGUTDSWRHH-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)CC1CC2(C1)CC1(CCC1)C2	2083617894	SHKTVFSRGHHSLY-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CCOc1cccc2c(C3CCCCC3)coc12	2086719039	TXWMEHOVSRJTSE-UHFFFAOYSA-N	244.334	4.879	0	10	BJAE	
CCC[C@H](CN)CCCCCCCC1CC1	2210525207	NDUUMRHSDZNBAV-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@@H](C)C(C)C	2214572672	GHZCYXZMUMJLCH-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
N[C@H](CCCCC1CC1)CCC1CCCCC1	2214575379	YPKANLIKCULPBZ-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CCCC[C@H]1n1ccc2cccc(F)c21	2214770062	WXGCMYFQLZAKDZ-SMDDNHRTSA-N	231.314	4.532	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@@H]2CC[C@@H]2C)CC1	2214969766	HNEBLTSSNCDJEG-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](CC[C@H]1C[C@@H]1CC)NCC	2215252026	PPNXULCNFBSYRS-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@]1(C)C(=O)CCCCCCCC1CC1	2216879749	MUMXBKABVBKRGD-CJNGLKHVSA-N	236.399	4.742	0	10	BJAE	
CCC1CCC(CC2(N)CC(CC3CC3)C2)CC1	2218493700	KYBMYZKYBDKVDE-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNCCCCCC2CC2)C1	2218750359	ORVAWIXYXWAOPZ-PBHICJAKSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CC=Cc1ccccc1	2219082835	PNDFBQGYTBOJSP-WBVHZDCISA-N	245.410	4.634	0	10	BJAE	
C[C@@](N)(CCCCC1CC1)[C@@H]1CC2CCC1CC2	2220028203	PWUSUKXRGBGSEY-BHUNQDJPSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CN(C)CC2CCCCC2)CC1	2221607978	UWCRJNSZGMFRRC-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CN[C@H](c1c(C)cccc1C)[C@@H](C)CC(C)(C)C	2222009561	SEVVSDDKYNPMIX-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
Cc1cc(C(=O)CCCCCCCC2CC2)co1	2223106742	VGZCPJOIVDRYBA-UHFFFAOYSA-N	248.366	4.911	0	10	BJAE	
CC[C@@H](C)[C@@]1(CNC2CCC2)CCC=CCCC1	2223556627	JVUDZAGVTRWJSX-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1cccc2ccoc12	2224180645	MDGAVRMTZXUAOD-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CC=C[C@@](C)(N)CC[C@H](C)CCCC(C)C	2244848205	YURUQDHXUQOPRS-HUUCEWRRSA-N	225.420	4.523	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H]2CCCCCC2=O)C1	2246656072	IUIDLUQUYBTILK-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(O)CCCC2(C)C)C1	2246694676	QLFXXHDJUMWXOJ-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CCCC[C@H]2C[C@@H]2C)CC1	2247123178	WPWNFHPPTJCOHO-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
Fc1cccc2cc(CC3=CCCCC3)oc12	2247513943	PBLCVRMWFCPALE-UHFFFAOYSA-N	230.282	4.615	0	10	BJAE	
CC(C)CN(CCCCC[C@H]1C[C@@H]1C)C(C)C	2248837340	FBYDSSQQADIYGM-HOTGVXAUSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(CC)CNCCCCC[C@@H]1C[C@@H]1C	2248880142	QNKMBVCUUKQFHL-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccccc1C(C)C	2250355785	MRTQMZDYGJFLTM-ZDUSSCGKSA-N	232.367	4.819	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@@H](CC)CCC	2250372340	PDZDNOFWYZTZPT-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCCCNC1CC1	2250469355	NTXRGCZRHXCTFT-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1C[C@@H](C)CCN1	2250477257	VSCBFOPQOBCMPQ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@]1(C)CCCNC1	2250487416	ASRIECYKSQLMRU-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@H]2CCCCC2=O)C1	2251561973	BYIWDLLBOOHCNG-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@]1(N)CC(C)(C)CCC1(C)C	2251665510	LJZFQZHHGFZYCI-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)c1ccc2ccsc2c1	2253060288	KQABDJAIURYEGJ-CQSZACIVSA-N	248.391	4.617	0	10	BJAE	
C[C@H]1CCC[C@](CN)(CC2CC3(CCCC3)C2)C1	2254053818	GHIDCRWTFUKIJN-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC(C)CC1(C(=O)CC2CC3(CCCC3)C2)CC1	2254108269	ODDDUIVDDLXRIG-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@H](O)CCCCC[C@H]2C[C@@H]2C)cc1	2254544575	QCRNGFSIHUPPSH-BHYGNILZSA-N	246.394	4.635	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNC1CC2(CCCCC2)C1	2254544920	RODYWQOANSHBOT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)[C@H](C)c1ccccc1	2254606211	FELJZFUNQVFFLZ-SQWLQELKSA-N	244.378	4.576	0	10	BJAE	
CCC[C@@](O)(CC1=CCCCC1)c1ccccc1	2255063665	MDELDARSDXNYHF-QGZVFWFLSA-N	244.378	4.565	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)c1cccc2ccoc12	2259442270	HLHHPVLQNZIWBS-SWLSCSKDSA-N	245.366	4.520	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1N[C@H]1CC(C)(C)CCC1(C)C	2261395847	RXBKNOHEVYLPQJ-ILXRZTDVSA-N	249.442	4.536	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@@H]1CCC[C@H]1C	2297876523	OVHHDBUEBFYTQU-XUWVNRHRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC[C@@H]1C[C@@H]1CC	2298125527	JIZIMIPBUKKOCZ-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC)CCC[C@H](CC)C1	2300860266	FOWCTUANJFCJKP-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC(=CC[C@]1(O)CCC[C@@H]1C)CCCC(C)C	2300914232	OWFMPIUGHRNBHO-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CC=C(C)CC)CC1	2300919949	BAFKOYVWUWZWII-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@H]1CCC(C)(C)C1)CC(C)(C)C	2302663282	CJKCDGZFDIEURI-MELADBBJSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)C[C@@H](C)CC(C)(C)C	2303611054	QIYYWEUFSAKRDS-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H]1C[C@H]1C1CCCC1	2311518004	CHOVIWMXIYJCSE-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)C(CC2CC2)CC2CC2)CCCCC1	2313583167	FXFSYZYKTYWPHU-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC1CCC1)c1ccccc1	2313691736	IEFLDLNZJPLPEQ-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1cc(C(C)C)ccc1C	2315874984	RDLUFIPVFSSPNV-HOTGVXAUSA-N	245.410	4.967	0	10	BJAE	
O=C(CCC1CCCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316752512	OQGOOMAIWFBABV-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2317017337	ZZSZKKRIDYRPEW-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)c1ccc2c(c1)CC[C@@H](C)N2	2317950930	OIANMEMFXISQED-RDBSUJKOSA-N	245.410	4.829	0	10	BJAE	
CC(=CCCC1=CCCCC1)[C@H]1CC[C@H](N)CC1	2318557518	LYHOTTIOQIGIDG-QAQDUYKDSA-N	247.426	4.731	0	10	BJAE	
CC(C)C[C@]1(CCCC2=CCCCC2)CCCN1	2318559745	CIPAFJNESKVHLE-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@]12CCC[C@H]1CC2	2318580541	ZHQPTRTZWKDWGH-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@@H]1CCC2(CCCC2)C1	2318877408	LWFWFIDGUVAFJD-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)CC[C@@H]2CCCC23CC3)C1	2318997354	OASNNIYMHMTSQX-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C(=O)CC[C@H]2CC[C@H]2C2CC2)CCC1	2319734582	QVPQYXJKXSGHKU-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCC1CC1)CC[C@H]1CC[C@H]1C1CC1	2319735564	YAQVHOIBAVGMFX-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1[C@@H](N)CCC1=CCCCC1	2320212500	AEEIKSKUBKJBLZ-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(F)cc1NC[C@@H]1CC[C@@H]1C(C)(C)C	2320307408	KXZCSJQPCQFNLH-JSGCOSHPSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@H](NC[C@@H]2CC[C@H]2C(C)(C)C)CC1	2320372966	MHFMUPDLMDXMAC-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CCCC[C@H]2C(C)C)CC1	2320395382	DPVVOMNMUAWYAS-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CCC2CC(C)C2)CC1	2320425744	ZWSBPBCYYYRWGG-MOQPWLNLSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	2320450169	SAYKRGHNZZVAPW-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](O)Cc1cccc(C(C)C)c1	2320654402	XCAJZCKOUOOBHI-INIZCTEOSA-N	248.410	4.540	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@@]3(C)C[C@@H]23)c1F	2327804601	RZGGHRBUCRWAOV-ZENOOKHLSA-N	247.357	4.550	0	10	BJAE	
Cc1ccccc1[C@H](C)NCCC1=CCCCC1	20008470	GTIISPIYZDGALZ-HNNXBMFYSA-N	243.394	4.536	0	10	BJAE	
Cc1ccccc1[C@H](C)Nc1cccc(C)c1C	21034803	SLRCSEZXMNEZND-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CC(C)C[C@H](C)Nc1cccc2ccccc12	21815957	OLHVCDZBPPZOFU-ZDUSSCGKSA-N	227.351	4.686	0	10	BJAE	
CC(C)[C@H](NC1CCCCCC1)c1ccccc1	35015827	VARWXIGATYDSCT-KRWDZBQOSA-N	245.410	4.696	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CCC2CCCC2)cc1	36819656	ZZBANSKQZBQVMF-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CC(C)c1ccccc1-c1ccc([C@@H](C)N)s1	36927660	PBOMTDDHEYHYFG-LLVKDONJSA-N	245.391	4.558	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)C2CCCCC2)c1	37216016	GITDLXGUIYCIRY-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
CC(C)c1ccc(C(=O)CC2CCCC2)cc1	37865261	GIZLEWQENYJZSN-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
C[C@@H](N)c1ccccc1-c1ccc2ccccc2c1	38071108	HKANRGCRRVSVGF-CYBMUJFWSA-N	247.341	4.527	0	10	BJAE	
CCc1ccc(N[C@@H](C)c2sccc2C)cc1	70089759	VDYDXRJDLQJUKO-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CCc1cccc(N[C@@H](C)c2sccc2C)c1	70089778	BGIIGIDRSXZKOU-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CC(C)c1cc(Cl)nc2c(Cl)cccc12	77255245	PJXJWMRZYWFRFD-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
FC(F)(Cl)c1ccc(-c2ccccc2)cc1	82034810	PVKKKXVWKVAVEL-UHFFFAOYSA-N	238.664	4.642	0	10	BJAE	
CCCCCC[C@@H](N)C1CCC(CC)CC1	83778291	AVPZDGHOYPLJIP-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](NC2CCCCCCC2)[C@@H]1C	86091008	KKWBYHLWHNEBCF-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](C)[C@H](NCCC)C(C)C	86169413	HBMIIPQJUIPZFR-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2CCC[C@H](C)C2)c1	89604463	TZSQRBDDJRBLQI-SWLSCSKDSA-N	231.383	4.542	0	10	BJAE	
CCC[C@@H](C)[C@H](O)c1ccc(C(C)(C)CC)cc1	90484922	NUJCEDQZZHKKKJ-CJNGLKHVSA-N	248.410	4.844	0	10	BJAE	
CCCCC[C@@H](CNCCC)c1cccc(C)c1	93127167	HCWJKRDCOSBBEY-KRWDZBQOSA-N	247.426	4.659	0	10	BJAE	
CC(C)c1ccc([C@@]2(O)CCCCC2(C)C)cc1	94284419	QBHYDROKVYTUCL-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCC(CC)n1cc(-c2ccccc2Cl)cn1	94576227	OEUXYEHMGJCXCM-UHFFFAOYSA-N	248.757	4.565	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1Cc2ccccc2C1=O	103930279	RFXWMXVHNQNXJJ-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
CC(C)COc1cccc(NCCC(C)(C)C)c1	109905257	YXNAPJYCYHWXME-UHFFFAOYSA-N	249.398	4.570	0	10	BJAE	
CC[C@H](Nc1cccc(F)c1)c1ccccc1F	122456893	IGCPDKHTHIAIHO-HNNXBMFYSA-N	247.288	4.528	0	10	BJAE	
FC(F)c1ccc2cc(C(F)F)ccc2c1	138541434	LSTYHFNWDKGBHZ-UHFFFAOYSA-N	228.188	4.715	0	10	BJAE	
CCC(CC)COc1cc(C)c(N)cc1C(C)C	150269515	RNNKXDJAMCMSNE-UHFFFAOYSA-N	249.398	4.516	0	10	BJAE	
CCCCC[C@@H]1CCCCC[C@@H]1CNC1CC1	155835645	QPHQHTUCECANMQ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(F)c1-c1c(C)cccc1Cl	160338169	BWYGBJPBAVCSGB-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)C1(CC)CCCC1	162156380	BLXNFAJHGKVQJZ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)c1ccc(C)cc1C	163423462	PFJGLSZKYYUVLO-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](CCCC(C)C)c1ccccc1C	165812171	BDLKSHNICQITNU-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCC(CC)C[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C	167598515	NQMBKEHKDXJISP-NUEKZKHPSA-N	240.431	4.636	0	10	BJAE	
C/C(C[Si](C)(C)C)=C(/C)C[Si](C)(C)C	195755118	NWOONZIQJRZSMV-VAWYXSNFSA-N	228.528	4.999	0	10	BJAE	
C[C@H]1C[C@H](CC[C@@H](N)c2ccccc2)CC[C@H]1C	221310442	RDMDPRVUEXAJEB-WBTNSWJXSA-N	245.410	4.539	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC[C@@H](CC)[C@@H]1C	225192523	AZCBTGGQQYPSNW-JONQDZQNSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CC[C@@H](C)c2ccccc21	228128958	TWWKIXOQPHNGGB-QDEZUTFSSA-N	245.410	4.649	0	10	BJAE	
CCCC(CCC)[C@H](NC)c1cccc(CC)c1	228848905	LDGIHGFEGGPJAQ-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCCCCC[C@H]1CCNc2ccccc21	232968716	HLMOEICSSDDJKC-ZDUSSCGKSA-N	217.356	4.556	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2C[C@H]3CC[C@H]2C3)cc1	250572399	LINRNMVYHFGVQL-CWRNSKLLSA-N	244.378	4.625	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2CCc3ccccc3N2)C1	251612450	DBVQPAAKLDAEKU-IIAWOOMASA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2cccc(Cl)c2)C[C@H]1C	251859311	PRZNNDNOEVCLKI-GYSYKLTISA-N	237.774	4.577	0	10	BJAE	
CSc1ccc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1	251994529	ZMVULWVHKZLZIA-YRGRVCCFSA-N	249.423	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1c2cccc(Cl)c2CC[C@@H]1C#N	260494869	HABDRQWSHMVQND-YGRLFVJLSA-N	247.769	4.556	0	10	BJAE	
CCc1cc(N[C@@H]2CC(C)(C)C[C@@H]2C)ccc1C	302360829	YCCTUSYNIQKLPP-XJKSGUPXSA-N	245.410	4.794	0	10	BJAE	
CCc1cc(N[C@@H]2CCCC[C@H]2C)ccc1C	305983731	IGRJSUDKDIZECA-CZUORRHYSA-N	231.383	4.548	0	10	BJAE	
CSc1cc(Cl)c2ccsc2c1Cl	307542010	OUVFBKHEBFPMKR-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@@H]1CCC[C@@H](C)C1	308048771	JMFKWVHCULSAEZ-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCc1cccc(C(=O)[C@@H](CC)CC(C)C)c1	308055699	OAGBFCVCSCMJFL-AWEZNQCLSA-N	232.367	4.504	0	10	BJAE	
CCC1CCC([C@@H](N)[C@@H](CC)CC(C)C)CC1	308106621	WFQYSXDPXNAQBM-GRAKBVBRSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@H](CC2(C)CCC2)Nc2ccccc21	310260996	QMOTZRYTOKRLIF-CHWSQXEVSA-N	229.367	4.555	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2CCC(C)(C)CC2)C1	310438392	RUBMUKWTIJFNKL-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCc1cc(N[C@H](C)c2ccccc2)ccc1C	310617328	IQSLYBLULGBRIX-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
C[C@@H](CC1(CNC2CC2)CCC1)C1CCCCC1	310843320	KZOJXALZBZDDIX-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@H](C)c1ccccc1	310873995	SAIZFEBWLHHDBB-GJZGRUSLSA-N	247.426	4.595	0	10	BJAE	
CC1(CCNC(C2CCC2)C2CCC2)CCCC1	311004960	IZWFFNQKODYOIP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@](CNC2CC2)(CC2CCCC2)C1	317831563	WFENDNURRMEOPH-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)C[C@@H]1CCNc2ccccc21	319549368	GMVUTAFEVDYJCV-IHRRRGAJSA-N	231.383	4.658	0	10	BJAE	
Cc1cc(N[C@H]2CCCC23CCCC3)ccc1F	328159626	HQOCSJXRBDHQJE-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CC2CCC1CC2	379926275	SKGVCFITHADCFB-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](Nc1c(C)cccc1CC)C1CC1	379955818	BIJHEUUMVZPNEN-OAHLLOKOSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1c(C)c(C)cc(C)c1C	380722285	HDTITOAPTAEDBF-APPDUMDISA-N	248.410	4.780	0	10	BJAE	
C/C(=C\CCNC(C)C)C[C@@H]1CCC[C@@H](C)C1	383508343	KRSZADLAZYHWQO-DGCUZWNNSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](N[C@H](C)CC(C)(C)C)c1ccccc1	384871814	IOFPYHNNVGDERO-GDBMZVCRSA-N	247.426	4.942	0	10	BJAE	
CC/C=C\CN[C@@H]1CCCC[C@H]1C1CCCCC1	385101658	ZUIMIKJVLLQDTA-NEIPJUKUSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@H](N)CCC2=CCCCC2)c(C)c1	385773672	GZFSMOLOTNSHTG-QGZVFWFLSA-N	243.394	4.584	0	10	BJAE	
Cc1cc(N)ccc1S[C@H]1C=CCCCCC1	393964419	XLIVERITKKKOEI-AWEZNQCLSA-N	247.407	4.558	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1ccc(C)cc1C	395117611	HSRZAVYCEZNJEV-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CSc1ccc2c(C(F)F)csc2c1F	396247997	POTLNKIVCRBBBF-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1c(F)cc2sccc2c1C(F)(F)F	396298487	MTNVKXPAIKGSCU-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC(C)=CCCN[C@@H]1CCC[C@@H](C(C)C)CC1	397651752	FLIINKOEZKDNQH-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCc1cc(N[C@H](C)c2cccs2)ccc1F	690091465	BABSYYBNXSODLX-SNVBAGLBSA-N	249.354	4.623	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(O)CCCCC[C@H]2C)C1	691190847	XDYKHLNZFCODLZ-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CCCC2(CC2)C1	695959314	XMZXUAWTPGXMRZ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC(=O)c1cc2cccc(C)c2o1	697194453	OXKUDFWWKQOVNQ-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)C1CC(C)(C)C1	701460482	SSRUEECBOMJSDX-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CCCC[C@H]2C2CC2)C1	704473227	KNCNYTHSBRJCNQ-YQFWSFKMSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@H](C1=CCCCC1)[C@H]1CCCC[C@@H]1C	704808636	QYDXYUUZIMDNGZ-BHYGNILZSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@](N)(CCC(C)(C)C)C1CCCC1	704950753	IAUCWJYJZPVJNS-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc(N[C@@H](C)CC2CCCCC2)c1	709755038	FRZUEIYVKVBBQZ-AWEZNQCLSA-N	231.383	4.766	0	10	BJAE	
CCc1ccc([C@@H](C)Nc2csc(C)c2)cc1	710711312	PBBCEMLHWZTRGB-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CCc1ccccc1[C@H](N)C[C@@H](CC)C(C)(C)C	711117098	GEIANYARROFXFJ-GDBMZVCRSA-N	247.426	4.711	0	10	BJAE	
CCCNC[C@@](C)(CCC)C[C@@H](C)C(C)(C)C	711180107	BEXZUFXUHPMIKC-ZBFHGGJFSA-N	241.463	4.865	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)CC(C)(C)C	713182850	PKQPHMJBVDZENE-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)C(C(=O)CC(C)(C)C(C)C)C(C)C	713315027	ULOAKFFDRSZAGA-UHFFFAOYSA-N	226.404	4.556	0	10	BJAE	
CC1(C)CCC(N[C@@H]2CC[C@H]3CCCC[C@@H]32)CC1	714313781	CPSRHDWLCYIBLQ-VNQPRFMTSA-N	249.442	4.514	0	10	BJAE	
C(CCC1CC1)CNC1CCC2(CCCC2)CC1	716400182	IRVWNBALFFNGHN-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
Cc1cc(C)c(NCCCCC2CC2)c(C)c1	720134915	FVDMFBFJRFZXHZ-UHFFFAOYSA-N	231.383	4.604	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)C1(C)CCC1	720785203	BKGFWNVGKXTGMG-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)c1ccccc1C	720990785	WXFQDBWXMJWCTR-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CCC(CC)CN(c1ccccc1C)C(C)C	1167975460	FAFDOUVSNRBBLN-UHFFFAOYSA-N	233.399	4.646	0	10	BJAE	
C1=C(CCN[C@@H]2CCCC23CCC3)CCCCC1	1205276576	KKWICYJMEOPZEA-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CCNC1CCCCCC1	1474004212	FGRKNEABEQFSGY-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
c1coc(CSCCCC2CCCCC2)c1	1613255230	QHLDPVKFNMBQAI-UHFFFAOYSA-N	238.396	4.873	0	10	BJAE	
CCC[C@@H](C)SCc1ccc(SC)cc1	1641102656	HYHSISDOPQRHTE-LLVKDONJSA-N	240.437	4.830	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C[C@H]2CCC[C@H]21	1660193573	IIIYTVLVGZGDLL-QBPKDAKJSA-N	249.442	4.514	0	10	BJAE	
C1=C(CCN[C@@H]2CCC23CCCC3)CCCCC1	1664189593	BPGAFFLHIKPYEL-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CC1(C)CCC[C@@]2(CCN2CC2(C)CCCC2)C1	1875949300	KNUHFNCDFDZJIQ-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CN[C@@H](C)CCCC=C(C)CCCC(C)C	1900850666	GZJHJKDCBKRYLS-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC(F)(F)CCCCCC1CC=CC1	1901371663	IUGMSHKFILHHRP-UHFFFAOYSA-N	202.288	4.558	0	10	BJAE	
FC(F)CCCC12CC3CC(CC(C3)C1)C2	1901906009	VLFVTYDFBSSWOG-UHFFFAOYSA-N	228.326	4.638	0	10	BJAE	
CCC[C@@H](CC)CC(CC)(CC)CNCC	1905434955	ODVUWJKTSWVFCL-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CC(=C[C@@H](C)CC(C)(C)C)C[C@H]1CCCCN1	1911978091	XZAMQQFHORKKGI-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc2c(ccn2CC=Cc2ccccc2)c1	1912042483	QQYGIFHLPKZLAH-UHFFFAOYSA-N	247.341	4.663	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@@H](C)CC[C@H]1CNCCC	1912093387	YUADCCLXBBZOOY-BBWFWOEESA-N	249.442	4.561	0	10	BJAE	
CCCN[C@H](C=C(C)C)C1CC2(CCCCC2)C1	1912628271	JGOBQSASOLEIAN-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC(=O)C2CC3(CCCCC3)C2)CCC1	1912640439	JTBNHECQOQMEFN-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
Cc1ccccc1OCc1cccc(Cl)c1C	1913053204	HQIYKNIPNHCORU-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC[C@@](O)(CCCC1CCC1)c1ccc(C)cc1	1919890886	OTFCCZHRDHJUJE-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CC(C)(C)C(C)C	1919960826	PMSLCMPOMBEWBU-HIFRSBDPSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)c1ccc(C2CC2)cc1	1919977844	WDPMLYJYODFQOA-GUYCJALGSA-N	246.394	4.598	0	10	BJAE	
CCC1CC(C(=O)c2c(C)c(C)cc(C)c2C)C1	1921305286	LHHAWEBBWWGCOK-UHFFFAOYSA-N	244.378	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC[C@H]2CC2(C)C)CC1	1921541867	UFJUVODNZAUZBS-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCCC12CCC2	1921614613	GZYWCEWZNUUNKK-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(N)C[C@H]3CCC[C@@H](C3)C2)C1	1923474936	FIPDFEOKISDJME-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)Oc1ccccc1C[C@@H]1C=CCCCC1	1925844781	YNFWYSFLIPGKME-OAHLLOKOSA-N	244.378	4.763	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1Nc1ccsc1Cl	1932482797	RCBKKQGAWSGVGK-ZJUUUORDSA-N	243.803	4.638	0	10	BJAE	
C1=C[C@@H](C[C@@H]2CCC3(CCCC3)C2)CC1	1934208564	DIPCBIJRXLAAIS-KGLIPLIRSA-N	204.357	4.703	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C[C@H](C)C(C)(C)C	1937169675	RLBJRJUPEPUJJU-STQMWFEESA-N	226.404	4.700	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CCC[C@@H](C)CC1	1939898861	LPJXJEMRXXKCIV-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CC1(C[C@@]2(C(C)(C)C)CCCN2)CCCCC1	1940407028	HRMDNAZYOWPRTI-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)CC1(C)CCCCC1	1940409589	ORFOXOQGNAZTRZ-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(OCCC[C@H]2CC2(C)C)c(C)c1	1940872402	MASQWFTWFVEXGG-AWEZNQCLSA-N	232.367	4.509	0	10	BJAE	
CC1(CCC[C@@H](O)CCC2CCCCC2)CC1	1940875908	YZJYPGMCQPSODC-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)c1sccc1C1CC1	1942497610	ODCBMHPUGZSBHG-GFCCVEGCSA-N	248.391	4.635	0	10	BJAE	
C[C@H]1CC(C[C@@H](N)CCC(C)(C)C)C[C@H](C)C1	1944203526	OCXOLCQVAWAITC-NFAWXSAZSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CCC)CCC[C@@H]1CCC[C@H]1C	1944841912	FXRKBZAVIXUODI-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCNC1(C2CCCCC2)CCC1	1945294337	UMKFOEFKRGHLSP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C(=O)c1cccc2sccc12)C1CC1	1945960060	NMSCJDTXXSFGNG-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCS[C@H](C)C1	1946365984	ZQEIWVNMMYWSCF-OLZOCXBDSA-N	249.423	4.506	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCCCCC1(F)F	1947304168	JDGKWFFFRZETFQ-CHWSQXEVSA-N	247.373	4.513	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H]2C(C)C)c(C)c1	1947460725	HKHXVSZHLKCPJM-GOEBONIOSA-N	231.383	4.540	0	10	BJAE	
FC(F)(F)c1cccc(C[C@@H]2C=CCCC2)c1	1947553015	ULFNBRSSJYODDH-LLVKDONJSA-N	240.268	4.604	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C=CCC1)C1CCCCC1	1947557776	DJSOLRAVQIGBNJ-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)CC1(O)C[C@@H]2CCCCC[C@H]2C1	1947856618	PIKCWQYKGVAOED-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@]1(N)C[C@@H](C)CCC1=C(C)C	1948965334	YLZAATVPGZSCRX-XJKSGUPXSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H]1CCC[C@@H](C)C1	1948992881	BHJBBOOBTDTYMP-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CCC[C@@](C)(O)c1ccccc1	1949907953	STQQOFGWIUAHIV-MRXNPFEDSA-N	234.383	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1CCC[C@@H](C)CC1	1950907291	CHDGEQHDVGBLKQ-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)C[C@]1(CNC)CCCC(C)(C)CC1	1950912955	CJBXHWLDBDEAGC-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NC1C[C@@H]2CCCCC[C@H]2C1	1967878128	XOZMFPUHLSWQTA-AESZEHBQSA-N	249.442	4.514	0	10	BJAE	
CCCCN(CCC(C)=C(C)C)[C@@H](C)CC	1978896312	MGMIIDCDVKBMIE-HNNXBMFYSA-N	225.420	4.633	0	10	BJAE	
CC(C)(C)CCC1(N)CCCCCCCC1	1980337966	ZFCCZAZHHGKDIG-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
Fc1cc(Cl)ccc1CC1CC(=C2CC2)C1	1985537085	QDKMOTCONWJDHD-UHFFFAOYSA-N	236.717	4.522	0	10	BJAE	
CCCC1(C[C@H](N)CCC(C)(C)C)CCC1	1988460847	BPIZGCWVOMQAHL-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CC=C(CC)[C@H](CCC(C)(C)C)NCCC	1992046994	OEOOHUOGKAANRN-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCCCC[C@H](O)CC[C@@H](C)CCCC	1995254047	NHXUYEXAQMYZOP-GJZGRUSLSA-N	228.420	4.924	0	10	BJAE	
CC1([C@](C)(O)CCCC2CCC2)CCCCC1	1995987030	RKKFEOBUZLDBJC-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H](C)C1)[C@@H](C)CCC	1996248889	ZSZSRQMHRLSGMF-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@](C)(O)CC2CCCCC2)C1	1996250564	QDOCNGUITSVLIZ-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1CCC(C)(C)CC1)C(C)C	1996551387	CJMGQPIOWVQMAU-DZGCQCFKSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCCC2(CCC2)C1	1997041822	FEGMFQVXXMLCOP-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2CCC(C)(C)C2)C1	2000101817	LEJIEEFWYSMBIB-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC)CC[C@H]1CCCC(C)(C)C1	2000164334	XJADNPWVXAUJMT-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCCCCC(=O)CC1[C@H]2CCCCC[C@H]12	2002227898	GMSUSMQWGOQPMS-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@H]1CCCC(C)(C)C1	2002971356	BTZRTPJZRDTMHH-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
C/C=C/CCCC(=O)C[C@@H](C(F)F)C(C)(C)C	2009572549	PWGKTKZICAQDRJ-FYJFLYSWSA-N	246.341	4.619	0	10	BJAE	
C/C=C/CCCC(=O)C1(C)CCC(C)(C)CC1	2009576493	ZLBSMIZCALPBRX-AATRIKPKSA-N	236.399	4.908	0	10	BJAE	
C/C=C/CCCN[C@@H]1CCC[C@@H](C(C)C)CC1	2009597842	HXYKRULSRROUFX-FZZYSBJUSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C1(C)CCCC1	2009599448	ZLZNJFOHRZVUEZ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@]1(CC(CC)(CC)CC)CCCN1	2009768061	BNRDNXVUQXJNRQ-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H](N)c2ccsc2)CC1	2010730422	YLHWSSOOWHWPLG-ZIAGYGMSSA-N	249.423	4.521	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](CC)(CNC)C(C)C	2012420651	DENWDYHWFCIVGH-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CC[C@](CNC(C)C)(C(C)C)C1CCCCC1	2012421240	JSRQHTOOYBHXPU-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC[C@](CCCCCC(C)C)(C(=O)O)C(C)C	2012436255	XYZOYOGLMHXEME-OAHLLOKOSA-N	242.403	4.730	0	10	BJAE	
CC(C)c1cccc(-c2cscc2[C@@H](C)N)c1	2013602519	KZKPFKZYMMDJPF-LLVKDONJSA-N	245.391	4.558	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@@H]2C(C)(C)C)CCC1	2015584365	IHUDVTAGKUNXLY-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H](CC)C(C)C)CCC1	2015641272	BXSBOIHSHBVDPP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@]2(N)CCCCC[C@@H]2C)CCC1	2015643547	DCAIDJJVLCMANP-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCNC[C@@]1(CC(C)=C(C)C)CC[C@H](CC)C1	2017466958	RCROCNPUAONVMO-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC=CCCCNC[C@H]1CC[C@H](CCC)CC1	2017655246	KZFJBQDHYZSGRW-WKILWMFISA-N	237.431	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H](C)C(C)C)CC1	2017663214	PXJQCPMXYQMWOQ-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC[C@@]2(C)O)CC1	2017718952	IBQFEMKBKRPAFC-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCCCC[C@@H]2N)CC1	2017720843	IILGYFZQUQJGJS-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](CO)CC(C)C)CC1	2017726700	SLHKZPUFUAHMHH-BZUAXINKSA-N	240.431	4.638	0	10	BJAE	
CC(C)(C)NCCC=CC[C@H]1CC[C@H](C)CC1	2017733595	LXWQPVQZDRLXEZ-SHTZXODSSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1CCCC[C@@H]1CC	2018129612	KGWNPRGSQBZPEH-ARFHVFGLSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](CC)N(C)CC(C)(C)CC(F)F	2018181243	HQTVVVSCIWPKFR-GFCCVEGCSA-N	249.389	4.568	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCC[C@@H]1CC1(F)F	2019591020	UTMXTNYYGLJREK-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC1(CCCNc2ccccc2C2CC2)CC1	2021026253	OPDORPLNJZGGPU-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1C[C@H]2C[C@H]2C1	2026057952	BCYWURYLNATALT-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC[C@H]1CC1(C)C	2026166929	NHIXYSAKJBMPDO-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NCC)C1CCCC1	2026170793	SLHJYZXYQDBTPH-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C1=CCCCC1)C1(C)C(C)(C)C1(C)C	2027149966	FKXOLLINBDOIIB-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1ccccc1C(C)C	2028239740	HVJWMRNJPQOGAG-WBVHZDCISA-N	248.410	4.916	0	10	BJAE	
CC[C@@H](C(=O)CCC=Cc1ccccc1)C(C)C	2028261647	HZXLZYWXGHNNJF-MRXNPFEDSA-N	244.378	4.731	0	10	BJAE	
c1cc(C2CCC2)ccc1NC1C[C@H]2CC[C@@H]2C1	2029079062	SYRVGGVWCKMPDR-HUUCEWRRSA-N	241.378	4.555	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC[C@H]2CC23CCC3)CC1	2032075902	LORQBSPBKVZCOC-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(CC2(N)CCC3(CCC3)CC2)CC1	2032252504	QIRINGBQKPJFFX-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)CCC=Cc1ccccc1	2032267572	ASUNBTNJZCXBAH-INIZCTEOSA-N	246.394	4.523	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)c1ccc(CC(C)C)cc1	2037125668	LFFNTZOURSTFNK-ZQIUZPCESA-N	247.426	4.567	0	10	BJAE	
CN[C@H]1C[C@@H](CC2CCC=CCC2)CCC1(C)C	2037863256	LLTLKCZOYXGJSB-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)c1nc2c([nH]1)[C@H](C)CC[C@H]2C	2038009822	MVZLWSKSSDTTMQ-IJLUTSLNSA-N	248.414	4.950	0	10	BJAE	
CCN[C@@H](CCCCC1CCC1)c1ccccc1	2038129386	WBDJZTWMAMLYQG-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)[C@H]2CC23CCCCC3)C1	2039079006	NESKMFHMUCVSGB-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CCC1=CCCCC1	2039431455	DPRFUWDAKPMOFZ-BHYGNILZSA-N	247.426	4.587	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](N)C2CC3(CCCCC3)C2)C1	2040174036	YFLNDTKIRXSETR-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]([C@@H]1CCCC[C@H]1C)C1(C)CC=CC1	2042016736	NLTCCSXSJGELHE-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@@H]1C)C1(C)CC=CC1	2042022256	PEFFMUKAEJNNAN-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)[C@H]1CCC2(CCCC2)C1	2043680861	USRGRVXFFWZQSB-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C[C@H]2CCC=CCCC2)C1	2045324579	XCGYUDZYFICCCM-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)[C@H]2CCCC(C)(C)C2)c1	2045366565	MMQURWYXRQSCEW-HOCLYGCPSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCCCC3(CCC3)C2)C1	2045519678	KDVKPHXOZDCANI-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@H]1[C@H](N)CC1CCC2(CC1)CC2	2049849392	PYSADWBTBCYUEW-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)CC1CCC2(CC1)CC2	2049853466	DYTRZKKCOWLBMM-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)C[C@H]1CCCC2(CC2)C1	2049941694	ZJDGYMXUWIMANU-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCC1CCCCC1)c1ccccc1F	2050493948	DCSYNCSQXQBSLG-MRXNPFEDSA-N	249.373	4.576	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)c2ccccc2F)C1	2050495596	VSIYXPWSTODZKP-CHWSQXEVSA-N	248.341	4.615	0	10	BJAE	
CC1(C(=O)c2ccc(F)cc2)CCCCCCC1	2052499929	AVWBKEZAJMHCOZ-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CCCC1(CNc2ccc(CCF)cc2)CCC1	2055669722	OEBCHURWZZZMQL-UHFFFAOYSA-N	249.373	4.581	0	10	BJAE	
CC1CCC(C)([C@@H](N)C[C@@H]2CCC3(CC3)C2)CC1	2056560129	YXCCWNQWFIUJGR-PYBGIAKNSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1[C@H](O)C=C1CCCCC1	2056854961	CXJGJPVJDIXOKX-QGZVFWFLSA-N	244.378	4.563	0	10	BJAE	
CC1CCC2(CC1)CC(N)(C=C1CCCCC1)C2	2056907895	PUHWICWSAJEDOJ-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C/C=C/C[C@@]1(CNCCC)CCCCC12CCC2	2057060522	SSGAVJNLUOCGDD-RCFWFJCLSA-N	249.442	4.683	0	10	BJAE	
C/C=C/CCC[C@H](CC1C[C@@H]2C[C@H]2C1)NCCC	2059251246	YIZOIUYRTGEFAN-KTGDWTQYSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H](C[C@@H]1C[C@H]2C[C@H]2C1)NCCC	2059251252	YIZOIUYRTGEFAN-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCCC)c1ccoc1CC	2059257853	AWPQSYVDEXQLQJ-HNNXBMFYSA-N	249.398	4.629	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CC[C@@H]3CCC[C@H]32)C1	2059390990	WLDJKUWHMFKVAW-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C2=CC[C@H](C)CC2)cc1	2060914370	RFUFCZHDVVJGSP-GUYCJALGSA-N	243.394	4.556	0	10	BJAE	
O=C(CCC1CCCCC1)CC[C@]12CCC[C@H]1C2	2061607339	QGRXDSAPHBQJGD-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)CC1CC(=C2CCC2)C1	2061700291	WEASADTZUMWRRF-OAHLLOKOSA-N	246.394	4.662	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1CC(=C2CCC2)C1	2061730520	JAANALQXCFMROD-NJELEJDNSA-N	247.426	4.601	0	10	BJAE	
CC(C)(C)NCC1(CC23CCC(CC2)CC3)CC1	2065329738	XAXQNFGVSUFMSM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC=C[C@H](C)NC1CCC2(CCCCCC2)CC1	2065895479	WGMYXIGCDBTOHI-HNNXBMFYSA-N	249.442	4.824	0	10	BJAE	
CCCC1(C[C@@H](NCC)c2ccc(C)o2)CCC1	2069343904	DYTLMMSNELGPFU-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
C[C@H]1CC[C@H](CNC[C@@H]2CCC=CCCC2)CC1	2072661255	RGLWZTTVXUWEQM-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)[C@](C)(O)c1cccc(C2CCC2)c1	2072767907	MXCDSRHHVFPQHR-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CCC[C@H]3C[C@@H]32)CC1	2072872052	XAXVBWNWTXGGBF-NEADZQPHSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)C=CC[C@@H](C)C2)CC1	2072880620	YFUXJULHSGPMMA-RDHHWEPZSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@@]12CCCC[C@@H]1C2	2074038723	QERVFZWXHIUISD-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N(C)[C@H]1C=CCCCCC1)C1(C)CCCC1	2074807948	BLMQXOCPGDCVDS-HOTGVXAUSA-N	249.442	4.776	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC[C@]2(C)CCC[C@H]12	2074896102	NETQRXKIJHUZSR-QZWWFDLISA-N	249.442	4.610	0	10	BJAE	
CC1CCC(N(C)[C@@H]2CCC23CCCCC3)CC1	2075008728	OACPZZMKDJHXGV-UYSNPLJNSA-N	249.442	4.610	0	10	BJAE	
CN(CCC1=CCCCC1)[C@@H]1CCCC2(CC2)C1	2075154945	WRDASKNJAPJTDC-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CCCCN(C[C@H](C)C1CCC1)c1ccccc1	2075166494	YHPBMXRWBMICMD-HNNXBMFYSA-N	245.410	4.729	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCCC2)CC[C@@H](CC)C1	2075373427	OMWIDXNHKONINB-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1c(C)cccc1F	2076040526	HAQLVAHZKDVNPN-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
C=CC=CCC[C@H]1CCCC(C)(C)[C@@H]1NCCC	2076402148	RVRVLAISVBIEHF-JKSUJKDBSA-N	249.442	4.703	0	10	BJAE	
CCCC1CCC([C@@H](C=C2CCC2)NCC)CC1	2080257991	XOJGNUCWHDTYMH-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCc1ccccc1[C@](C)(O)C[C@@H](C)CC(C)C	2081206278	KMIGYLXTMPPDFC-WMLDXEAASA-N	248.410	4.529	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@@]23CCCC[C@H]2C3)C1	2082973271	PVVLWYRDLGKQSJ-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CC1C2(CCC2)C12CCC2	2083531535	MEVSPHFYWGFVOQ-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
O=C(c1ccccc1-c1ccccc1)C1CC=CC1	2122691915	ZKMVHFGWXAAVCA-UHFFFAOYSA-N	248.325	4.503	0	10	BJAE	
CC[C@@H](O)[C@H](C)CCCCCCCC1CC1	2212449758	DJZWFAZSKUFWTA-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@@H](C=CCCCCCC1CC1)CN	2213578667	OMTVPTLYURTHEO-MRXNPFEDSA-N	237.431	4.524	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CCCCC1CC1	2214565908	QTWDBQYWLCNLTN-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)C(C)(C)CCC	2216277479	HLSDSSVKFCIGTN-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(=O)[C@@H](CCCCCCCC1CC1)C(C)C	2216880100	QPBSIENIXUGOPP-INIZCTEOSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H]1CC[C@H](CCCN[C@H](C)CC)CC1	2217159432	NICHTXWTTADWKH-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1=O	2218378054	NHEUBWVQNRLYMM-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
C(CCCCCC1CC1)=C1CNC2(CCCC2)C1	2218723676	HMKMWHUSHQPKNW-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
COc1cccc(C)c1N[C@H](C)CCC(C)(C)C	2220294029	FYRCYWVZVQENGQ-CYBMUJFWSA-N	249.398	4.630	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@@H]1CC[C@H]1C	2220516530	BOCFKFZBMOPINZ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CCN[C@H]1CCCC2(CCCC2)C1	2220922876	GAZUFRFIGKYVHH-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)C2CCC3(CC2)CC3)C1	2221018140	YHQXNPFPUFQGHV-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@H]1CCC[C@H]1C(C)C	2221937657	XEYBPVFLEKPNCG-GJZGRUSLSA-N	244.378	4.558	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CC[C@H]1CCC[C@@H](C)C1	2246658917	DSRHLNPQJLPNOT-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)CCCC(C)(F)F	2247159855	PWPSLABIJGITIE-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2CCC2(C)C)CC1	2247446717	JUZATVBSUDCQHL-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCCC[C@@]1(O)CC1=CCCCC1	2247463072	HHSPOBZKLRNMNI-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)[C@@H]1CC12CCC2	2248275747	OMGYZJPVIQRFJM-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
C[C@H]([C@H](N)CCCCC[C@H]1C[C@H]1C)C(C)(C)C	2248815394	OZHQVYRAJGZWMC-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@](C)(O)CC(C)(C)C	2248869665	JCQXJONKZXTHGN-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
Cc1cc(NCC(C)(C)C(C)C)cc(C)c1C	2249486747	CKOCAXYIANKVQZ-UHFFFAOYSA-N	233.399	4.706	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cccc2sccc12	2250385639	RQEDQHLOVPUCDJ-ABAIWWIYSA-N	247.407	4.727	0	10	BJAE	
c1cc(NCCC2CC2)cc(C2CCCC2)c1	2251228489	IORRAAXFWPTFTF-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCCC[C@@H](O)CCC1CC(CC(C)(C)C)C1	2251584890	NAEFOJZSVIAQGO-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@](O)(CC)CC1(C)CC(F)(F)C1	2252919755	SXORHXJYJCHPCX-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC1(C)CC(C[C@H](N)C[C@H]2CCCCC23CC3)C1	2253831482	JGEVRFACGFFFDN-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@@H](N)CC[C@@H]2CCCCC23CC3)C1	2253861626	FSBALEGDZHLIQY-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC([C@@H](N)CC1CCCCCC1)C2	2254491372	LWWJNZFMAFODCI-LYOOIAODSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)ccc1C(=O)CCCC[C@H]1C[C@H]1C	2254594279	REOXWVIELPILBY-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
CCC[C@](O)(C[C@H]1CCC1(C)C)c1ccccc1	2254823700	ASEDIJRXJKZZCM-WBVHZDCISA-N	246.394	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@H]2CCC23CCC3)C1	2254963390	UJIUIYPKWYFVGQ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
COc1c(CC2=CCCCC2)cccc1C(C)C	2255119464	PERIWWNITQSIPD-UHFFFAOYSA-N	244.378	4.862	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)CC[C@@H]1CCCC12CC2	2255317728	MVGDVSLIFNLWJG-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cc2cccc(C)c2o1	2259434343	ATTCVXYTZDGGKW-SWLSCSKDSA-N	245.366	4.567	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)c1ccncc1	2259602355	SIGGXUCIDUJYGI-CQSZACIVSA-N	247.382	4.507	0	10	BJAE	
CCC1(CC)CCCN1C[C@]12CCCC[C@H]1CC2	2260570827	RJODLIJNBBRUFD-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@]12CCC[C@H]1CC2	2260598850	COJPBVJFXQPMAH-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)C[C@]12CCCC[C@H]1CC2	2260668253	FDPVINGHNBIASK-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CNc1cccc(C2CCCC2)c1	2260723431	NOCGRESYWWXDEO-HNNXBMFYSA-N	243.394	4.802	0	10	BJAE	
Fc1ccc2c(c1)[C@H](CCCC1CCC1)CCN2	2261338697	LWVZUSGBROKUSV-CYBMUJFWSA-N	247.357	4.695	0	10	BJAE	
Cc1cc(C)c(C(=O)CCC2CC(C)C2)c(C)c1	2261501307	JAPMBEFITZWLFW-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CCCC1CCC(N)([C@H](C)CC2CCC2)CC1	2298873340	IXCMCPUKLBAQHT-VQCLRJIVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CCC(CC)CC	2300685331	DIKOJXJPCMQTOZ-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H](C)C1CCCCC1	2300686882	VYKRPMBJLHUQRG-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CCCCC12CC2	2300689054	UEXVLVWHLWAWIN-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCNCC1(CCC(CC)CC)CCCC1	2300702633	YQIVPZUHJDZCSX-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(=CCN[C@H]1CCC1(C)C)CCCC(C)C	2300865605	PIJLLOIXOHREJR-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
Cc1csc(C)c1[C@@H](N)CCC1=CCCCC1	2301897250	PCLWYEWSVXGIJK-AWEZNQCLSA-N	249.423	4.645	0	10	BJAE	
C/C=C/CCC[C@H](CCC1=CCCCC1)NC	2301945717	OHZKGNXBYJZELL-QDLOVBKTSA-N	235.415	4.601	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N1CCCCCCCCC1	2301979834	YFRPRXOPRJLMPX-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
O=C(CCCCC1=CCCCC1)c1ccco1	2302362362	YGLTUFBULXACKM-UHFFFAOYSA-N	232.323	4.523	0	10	BJAE	
CCC(C)(C)CCNC[C@H]1CCC(C)=C(C)C1	2303561929	MCQXHMXIGGIFPQ-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CC(C)(C)CC[C@@H]1C	2307894454	RFESZCDNTDOIQQ-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C[C@@H]1CCC12CCC2	2307908784	QZOFHQQGNQBTLJ-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313188825	PFOPSNUWJJSSMK-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
CCC1(C(=O)C(CC2CC2)CC2CC2)CCCC1	2313645250	OHPWEGTZEUIJTJ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H]1CCCNC12CCCCC2	2313694529	GEVDKPMSROLAMW-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c([C@@](C)(O)CCCC(C)C)cc1C	2315896952	KIZOPQCWEHUOJT-KRWDZBQOSA-N	248.410	4.646	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1C[C@H]2CC[C@H]1C2	2316501434	GXTUADJAKKHYAJ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC(=CC=C1CCC(CN)CC1)CCCC(C)C	2316538230	VYHAUIYOCSARRK-UHFFFAOYSA-N	249.442	4.834	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316749094	HKIBFGMRSKRBSB-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316872496	BZPCNHMKCYBZFK-WSMBLCCSSA-N	248.410	4.598	0	10	BJAE	
N[C@H]1C[C@H](CC2CCCCCC2)CC2(CCC2)C1	2316877542	GGKAIGYLQKORGK-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1cc(F)ccc1C(C)C	2317927326	BGUAODHSNWWJBZ-STQMWFEESA-N	249.373	4.797	0	10	BJAE	
O=C1C[C@H]2CC[C@@H](C2)[C@@H]1CCCC1=CCCCC1	2318507140	QHPBIYKGYIJJCC-JYJNAYRXSA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H]1CC[C@H](CCCC2=CCCCC2)[C@@H]1C	2318595523	QKWPNYSAUCCHCM-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1CC(CCC(=O)CC[C@@H]2CC[C@H]2C2CC2)C1	2319694076	VGFUHGIIBVTDDS-SGALNCENSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CNc1ccc(CF)cc1	2320308266	VCYVFMKSVRQGRK-DZGCQCFKSA-N	249.373	4.640	0	10	BJAE	
CCN[C@@H](CCC[C@H]1CCC(C)=C(C)C1)C1CC1	2320334724	ROOHBTILPMWIDP-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)cc(NC[C@@H]2CCCC[C@@H]2C)c1	2321089569	PBQDLTWCMCYNEM-JSGCOSHPSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CC[C@H](CCNCCC2=CCCCC2)C1	2321612523	BYINPDZGIAAPTE-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)[C@@]23CCC[C@@H]2CC3)C1	2321634941	WOOPCFOLEGQKSS-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
c1csc(-c2cccc3ccccc23)c1	5739951	IWNWRLUUSPDATD-UHFFFAOYSA-N	210.301	4.568	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cc(C)ccc1C	21817978	PEGOMEHNVFINCX-IUODEOHRSA-N	233.399	4.930	0	10	BJAE	
Clc1ccc2occ(-c3ccccc3)c2c1	32255378	GECCZYCFHPGTQF-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
CCCCC[C@H](NCC)c1ccc(Cl)cc1	35540212	LNCZHGGRRRYTAH-AWEZNQCLSA-N	239.790	4.571	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)c1ccsc1	50343688	VESGYWDZDFGDLT-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)c1cc(C)ccc1C	69375196	VOUGJVMXWZXUAM-CVEARBPZSA-N	247.426	4.923	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)[C@H](C)C(C)C	70123741	DGBBYUBJVOHKIQ-RHSMWYFYSA-N	247.426	4.753	0	10	BJAE	
CCCN[C@@H](CCCCC(C)(C)C)C(C)C	70747056	SFLVBSTVDXWLKB-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)NC1CCC(C)(C)CC1	79620468	VAJZXUFDJWXSKW-CQSZACIVSA-N	239.447	4.760	0	10	BJAE	
CCCc1ccc(-c2cc(C)nc(Cl)c2)cc1	84074799	CMFCZTYZPJQXQZ-UHFFFAOYSA-N	245.753	4.663	0	10	BJAE	
CCC1CCC([C@]2(O)CCC[C@@H](CC)C2)CC1	85078097	XBKAKKBJXXMOQL-KNIAUWFNSA-N	238.415	4.534	0	10	BJAE	
CC(=O)c1ccc(SC2CCC(C)CC2)cc1	85082647	BYYUEHZOPWFKCV-UHFFFAOYSA-N	248.391	4.560	0	10	BJAE	
CC[C@@H]1CCC[C@H](Oc2ccccc2Cl)C1	85149899	AJJWWSCSGPLSMZ-NEPJUHHUSA-N	238.758	4.688	0	10	BJAE	
Cc1ccc2c(c1)[C@H](C(C)C)CC[C@H]2C	85880352	PGTJIOWQJWHTJJ-OLZOCXBDSA-N	202.341	4.632	0	10	BJAE	in-man
CCCCC[C@@H](C)N[C@@H]1CCCC(C)(C)CC1	86898105	OAFKNRWJWCZJGK-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CN[C@H](c1cc(C)cc(C)c1)C1CCCCCC1	87947229	OUEVYLTYRHBZSD-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@H](CC)c1ccc(C)cc1	92599812	SUBQENJJWYOINJ-SJORKVTESA-N	247.426	4.513	0	10	BJAE	
CCCCc1ccc([C@H](C)CCC(C)=O)cc1	107478609	JAAOIWDVPQHAPJ-CYBMUJFWSA-N	232.367	4.502	0	10	BJAE	
CCCC1CCC(Nc2cccc(F)c2C)CC1	109939168	CKOFWJSIZGNUCF-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CCCCCC[C@H]1CCCc2ccccc2[C@@H]1O	109995019	MZTMGWYQVQOPBG-DOTOQJQBSA-N	246.394	4.643	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)c1cc(C)ccc1C	111647747	YLEJPWANGXGGHF-GOEBONIOSA-N	247.426	4.636	0	10	BJAE	
CCCCC[C@@H](CCC1CCCC1)NCC	125387279	BHUSMBJSXUZRJQ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@H]2CCCC2(C)C)c1	132657615	ZFGYIEAZNCSVSG-HOCLYGCPSA-N	245.410	4.533	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@@H]1C)C1CCCCCC1	149847763	SBXWLWMHFAUQGT-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@@H](C)C(C)(C)C	158728480	JGNMBTSGFLZPJQ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C1(CC)CCCC1	158744815	XIDQGSUAHLMYRB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCNC1CCC(C(C)(C)CC)CC1	161684739	SFAZAYNWFCARSU-FNORWQNLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)[C@@H](CC)c1ccccc1	162369079	NRNRSXRWNDVWLX-BHYGNILZSA-N	247.426	4.595	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC[C@@H]1CC	163858094	JBHOMCLXKYFZEZ-DZGCQCFKSA-N	231.383	4.630	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@@H]2CC[C@@H](C)C2)c1	165549115	ROTSUMCLVLUNPJ-CZUORRHYSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C)c1ccccc1COc1ccccc1	200804748	HNSUSELNSRZGGB-UHFFFAOYSA-N	240.346	4.563	0	10	BJAE	
CC[C@H](C)C[C@]1(O)CCC[C@@H](C(C)(C)C)CC1	226703191	CIMXKWAMEIILKC-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CN)CCC[C@@H](C)C1	227345508	SEUUIPVXOCVXDL-PMPSAXMXSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@H](NC[C@@H]1CC1(C)C)c1ccccc1	233013385	GZVOPJRAOXVBGL-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](C)[C@](C)(CCC)CNC(C)(C)C	233339609	UAIUHGHLOHIUTL-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
Clc1cccc2c(C3CCCCC3)c[nH]c12	236070685	AOBLOGHBJNBZAB-UHFFFAOYSA-N	233.742	4.869	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@H](C)[C@@H](C)C1	251296429	GZGQNWHBKSBZIT-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1C[C@H]2CC[C@H]1C2	252811457	GUERZPZOMWJWMC-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CCCC(C)(C)C)CCNC(C)(C)C	300812884	GAHFTGCQEBUVEL-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1sccc1Cl	301015220	ZMCSIYCRFUVOLS-ONGXEEELSA-N	246.803	4.507	0	10	BJAE	
CCCNCC(CC)(CC)C[C@@H](C)CC(C)C	302274419	DLAYEEWUTHLELI-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
Cc1cc2nc(C(C(C)C)C(C)C)[nH]c2cc1C	302588865	TZJKHCWAXADSJX-UHFFFAOYSA-N	244.382	4.575	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCC1CCCCCCC1	305912171	IVYABKPDPBWLJB-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)c1ccc(C)s1	307983932	AIPMMENNORSTJH-GXTWGEPZSA-N	240.412	4.552	0	10	BJAE	
CCC[C@H](Nc1ccc(CC)c(C)c1)C1CC1	310294393	KXKYDEHQQKPSRO-INIZCTEOSA-N	231.383	4.548	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@@H](C)[C@@H](C)CC	319132665	JBWOOPMUJNTPTO-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1cccc2ccccc12	319362618	OTBDYVCGOMBOBX-AHIWAGSCSA-N	242.362	4.555	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)[C@@H](C)[C@H](C)CC	319475629	ADUORSYHTCJVGB-CBBWQLFWSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@@H](C)[C@@H](C)CC	319665766	GGXYOYLPIHFFEG-MELADBBJSA-N	226.404	4.700	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](CC)[C@@H]1C[C@@H]1C	321043831	FTSYFFIVXVILEV-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](Nc1ccc(C)c(CC)c1)C1CCC1	322251508	DAEZJYYDUCKKTM-KRWDZBQOSA-N	245.410	4.938	0	10	BJAE	
CCC[C@@H](C)[C@@H](CCCCCC(C)C)NC	383211979	CIXMXYWCEZQPBU-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H](C)CC(C)(C)C	384501348	CLWHSOFDHNBHGL-CHWSQXEVSA-N	227.436	4.616	0	10	BJAE	
CC[C@@H](N[C@H]1CC12CCCCC2)c1cccs1	387114030	JBHWGIAMHFEJHY-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
CC[C@H](C)CCNc1cccc(C(F)(F)F)c1	394398979	JSLLMLPVHGBBOM-JTQLQIEISA-N	245.288	4.554	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CCCC12CCC2	394719378	AXPRVWBQKODLQI-ZDUSSCGKSA-N	249.785	4.783	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(C)cc1F	395140326	XVEYTUOXHJVMNL-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CCOc1cc2ccc(Cl)c(CC)c2s1	396188803	KRCGNLBIRUPRPJ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CC[C@H](N[C@@H](C)CCC1CC1)c1cccc(C)c1	398019579	CAABESLIEQWBPM-YOEHRIQHSA-N	245.410	4.614	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1C)[C@H](C)C(C)(C)C	399154547	HBGOYJWDLFTCNC-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
CN[C@@H](c1c(C)cc(C)cc1C)[C@@H](C)C(C)(C)C	399203415	RIPWETSSYLMZPG-GDBMZVCRSA-N	247.426	4.555	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1	403819078	KJORXAKUNBDVAD-VNQPRFMTSA-N	243.394	4.658	0	10	BJAE	
CCCC(=O)CCCC(C)(C)c1ccccc1	686745320	IPQCMLUZJMYMSZ-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@@H]2CCCC2(C)C)c1	688917015	TZVZRIROVNGHPN-JKSUJKDBSA-N	245.410	4.636	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](CC)[C@H]2C[C@H]2C)c1	689507324	UHHYAQWKNPUBCR-UHOFOFEASA-N	245.410	4.658	0	10	BJAE	
CC[C@H](N[C@H](C)C(C)(C)CC)c1cccc(C)c1	695102323	ZSSCLJIYEGNJFD-ZBFHGGJFSA-N	247.426	4.860	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	697845304	PSXKCVJSJPJURD-ARFHVFGLSA-N	248.410	4.908	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CCCC(C)C	703980811	XMHCWCAIPSFKPL-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CC1(C)CCCC1	704824274	IEWRXVNHGLYVNF-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCNC[C@](C)(CC)C[C@H](C)CC(C)(C)C	709105740	MVSLZOPONDJXNX-GDBMZVCRSA-N	241.463	4.865	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCCC12CC2)CC(C)(C)C	709126652	JRCJQKGBWCERTA-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1N[C@H]1CC[C@H](C)CC1	709244474	YQTBSFOIYVUQMC-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2CC3CCC2CC3)CCCC1	709435858	OPVRIFIKWPIBAP-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)CC(C)(C)CC[C@@H]1C	713027810	CSYPPQHHBPBTGX-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C)[C@H](CC(C)(C)C(C)C)C(C)C	713143813	WVIZJVFKRSQMNB-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cc(Cl)ccc1C	713200272	OQZLKFCMAXPXSD-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
C=C/C=C/CC[C@H](NC)C1CCC(CCC)CC1	713741106	SQDNYXRCFYSRTQ-LUXGMQOYSA-N	249.442	4.703	0	10	BJAE	
CC(C)=C(C)CCOc1cccc(Cl)c1C	718595807	QTXUQTJCOINQOB-UHFFFAOYSA-N	238.758	4.774	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CCC[C@H](C(C)C)C1	718691167	LXWJJDYUFRLSHT-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(CO)CCC=CCCC1	719062362	CHJMSQQKJRAHMN-HOTGVXAUSA-N	238.415	4.558	0	10	BJAE	
CCC(C)(CC)[C@H](NC)C1=CCCCCCC1	721654877	LRZAXZYYRPCGOO-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1CC(C)(C)C1)NC	723569570	ZJPSLXHBLKBBNN-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C[C@]2(N)CCCC23CCCCC3)C1	723586969	CTMIYKUKZRDHRH-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
C1=C[C@@H](N2CCC[C@@H]2CC2CCCCC2)CCC1	1167251939	OMWYCNXLIMWRKK-IAGOWNOFSA-N	247.426	4.530	0	10	BJAE	
C=C/C=C/CCN1CCCC[C@@H]1CCCCC	1460489905	WOJDCKFKOUGTIX-YERXGYGTSA-N	235.415	4.554	0	10	BJAE	
CCCN(CCC)Cc1ccc(C2CCC2)cc1	1462006009	GBYPQLORUFXTCE-UHFFFAOYSA-N	245.410	4.576	0	10	BJAE	
C[C@@H](c1ccco1)N(C)CCC1CCCCCC1	1473128070	GOXWYQHLCRXHIP-AWEZNQCLSA-N	249.398	4.633	0	10	BJAE	
CCC1(CC)CCCN([C@H]2C=CCCCCC2)C1	1559997678	BXCGPPCTKZPDQM-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C[C@H](C)CC	1900698822	WZOSVDFMAOOOQJ-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](O)CCCCCC1=CCCCC1	1901956827	STUVINWSZPOYRM-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
CCc1cscc1N[C@@H]1C[C@@H](C)CC[C@@H]1C	1902377573	VUHOPNKOIVBIRI-GMXVVIOVSA-N	237.412	4.547	0	10	BJAE	
CCCNCC[C@H](C)CCC=Cc1ccccc1	1911934145	AYVPYMVONAAYLY-MRXNPFEDSA-N	245.410	4.506	0	10	BJAE	
CCC(=CC(CC)(CC)CC)CNCC(C)C	1912106242	UHBGSNYGNFLFLR-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CCC(CC)(CC)CNc1ccnc(C2CC2)c1	1913026604	RFYMGCKLQDFPGZ-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)c1ccc(C(C)C)cc1	1920209028	WPYPEDPGBLXEOX-YOEHRIQHSA-N	247.426	4.810	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1CC(CCC)C1	1921276254	RBJOFBFFSWGYGH-WLYUNCDWSA-N	238.415	4.988	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@H]1CCCC12CCC2	1921587952	ZYDIYASBTASMFH-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H](C)C1CCCC1	1924134874	GLEXNCBPLZIBSM-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCCC1)C1(C(C)C)CC1	1925769651	KMLOGTKPLXABNM-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)NC[C@H]1C=CCCCC1	1925919956	HYOZONZLSWFTEL-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1cc(Cl)sc1C	1933700986	FZVPOBRPMXTDIY-LDYMZIIASA-N	245.819	4.536	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)c2cccs2)CC1	1939901852	YHAXELOHQQOLNT-NSHDSACASA-N	236.380	4.537	0	10	BJAE	
CC[C@@](C)(CNC(C)C)CC1(C)CCCCC1	1940405243	GEDDHCNHWFZFGX-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](CC[C@H]1CC1(C)C)NCC	1940857358	WMKMVLLZJPWOAO-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CC1CCC(C)CC1	1941262307	CGHTXFKEFGFSDR-CKUJCDMFSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@@H](CC(C)C)C(C)C	1941267993	ZJSQVXMPIGAADH-HOTGVXAUSA-N	239.447	4.639	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H](CC)C(C)C	1941268739	JCNUUUCZUHWJOV-AWEZNQCLSA-N	232.367	4.504	0	10	BJAE	
CC[C@H](CN[C@@H]1CCCCC[C@H]1CC)C(C)C	1941929077	MLKPAWDOXQVJGL-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(N)CCCC(C)(C)CC1	1942655456	JAXKXWKRGXIELS-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](C[C@@H]1C[C@@H](C)C[C@@H](C)C1)NC	1944201844	FPXKVKXVXLKAJT-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)c1ccsc1C	1944450988	JSDGACDDGQVREU-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1CCC[C@H]1C)NC	1944846062	MGIQXXMTGFGJPC-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)CC1=CCCCCCC1	1948846146	HNAIRZJDGKAUGH-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@H](N)CCC1CCCCC1	1948931380	XCNMIACPSNBWCH-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CCC=C(C)C)CC1CCCCC1	1949023011	RKPPPGHMYFUYNN-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC23CCCC3)c(Cl)c1	1950668169	KPXGACHXSKVJFV-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CC(C)(C)CC[C@H](O)[C@H]1CCCC(C)(C)CC1	1950912753	AKGKZEZRCKFYHV-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(NC2CCC3(CCC3)CC2)CC1	1965873002	GLIIGJRLNQNODC-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CC[C@H]3CC[C@H]2C3)CC1	1967761430	CDDSJRXDSTZGGZ-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CSc1ccc(NC2CC(C(C)(C)C)C2)cc1	1968456807	OXOMQLIHYCEACT-UHFFFAOYSA-N	249.423	4.645	0	10	BJAE	
CCC[C@H](C)CNCc1ccccc1C(C)(C)C	1970465052	LKHLBSCOWYLPSF-AWEZNQCLSA-N	247.426	4.510	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@@H]1CCCC2(CCC2)C1	1970498321	VPIGBHURMMQPOX-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(NC2CC(C3CCC3)C2)cc1C	1972020365	HEWBMZUUJYJGRI-UHFFFAOYSA-N	243.394	4.548	0	10	BJAE	
CC1CC(CN[C@@H]2CCCC3(CCCCC3)C2)C1	1972220060	GNKWCGVAHOOBQW-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)CC(=O)[C@H]1CCC[C@@H](CC)CC1	1976344011	ZMOIBQIAVOSUGW-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCCCN(C[C@@H](C)CC(C)C)[C@@H](C)CC	1978895605	CCGOQBYIEGFFFK-GJZGRUSLSA-N	227.436	4.569	0	10	BJAE	
CCCC(=O)[C@@H](C)C1CCC(CCC)CC1	1980233059	DVFNFNUJNDOTHF-HSBZDZAISA-N	224.388	4.598	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@H](CC)CCCC	1983428894	MSIDBARAZVPZJS-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CCC[C@H](C)CC1	1984591229	MIMJWGHUJRZDEH-NVFZZLLCSA-N	222.372	4.518	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)CC(C)=C(C)C	1989655628	RSBHCMUAKZDKTQ-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](O)C[C@H]1CC[C@H](CCC)CC1	1989772616	QYIVKBXVNDZWGP-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](CC)NCc1cscc1C	1990098906	RBTCPZHAJYODTM-AWEZNQCLSA-N	239.428	4.505	0	10	BJAE	
CCCC1(COc2cc(Cl)ccc2C)CC1	1990570469	DEJIRXSTVKYDRW-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCCC1(C[C@@](N)(CCC)C(C)(C)C)CC1	1990637089	FSCXLCZOCMDWAT-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](N)C2CCCCCCC2)C1	1996236548	HAFQUSNRYVTAEX-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)C1CCC(C)(C)CC1	1996560667	GMIWMOPVWIUEJL-CJNGLKHVSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)[C@@H](C)CC(C)C)CC1	1997118716	ZMDCSUKCPRBIHB-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CN(C)[C@@H]1CCC[C@H](CC)CC1	1997205325	MMNMQPITTGAHBP-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@H]1CCC=CCCC1	2000003912	LTASTKXJJHDSDK-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)c1sc(C)cc1C	2000387125	HWFCKZSDTRYFHR-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)[C@H]1CC1(C)C	2000518434	OEGXEYCISCCPCT-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)CC1CC(C)(C)C1	2000523879	SUVIWEXMMOGQMR-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
C1=C(CCc2ccc3ccccc3c2)CCC1	2002888577	OVXAYDOIDVZIDN-UHFFFAOYSA-N	222.331	4.883	0	10	BJAE	
O=C(CCC1CCC2(CC1)CC2)c1cccs1	2003679410	IGJCOURZEFQNER-UHFFFAOYSA-N	248.391	4.681	0	10	BJAE	
CC(C)=CC[C@H]1CCCC[C@H]1CNC(C)(C)C	2004227416	SJYMMYSCICHWOB-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CN[C@H](CC)C1CCCC1	2004717021	DPJDVXHHYKFWEX-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC1CC(CC)C1	2007812655	OUIHXXCVSKLAGL-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CN(C)CC[C@H]1CC1(C)C	2011180554	GAXGJQPHEIXRSH-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@@H](NCCC)C12CCCC1CCC2	2012120379	NFBQZBJOBNPSSN-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@](C)(O)CC12CCC(CC1)C2	2012822819	KMGRAABPPQHBFU-PCKAHOCUSA-N	238.415	4.678	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1CC(C)=C[C@H](C)C1	2013528730	NSMHZGPVTZJABQ-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@]1(CNCCC)CCC1(C)C	2014845337	DVLBLUQTNLPLNK-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC[C@](C)(CCC(C(C)C)C(C)C)CNC	2015344079	HXFFQNFHGGPDDF-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CCCC1(C[C@@H](C)C[C@H]2CCCCN2)CCC1	2015642460	QNUVNLLQRWPGAE-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H](C)CC(C)(C)C	2017473932	YVPGCGVXDUAMLE-ZFWWWQNUSA-N	239.447	4.783	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)CC(CC)CC)CC1	2017656090	TXAGYTOVXUTSRE-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(CNC[C@@H](C)CCC)CC1	2017661535	CSMASPDDXZWJTD-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C1=CC[C@H](C(C)C)CC1	2017715800	KIBZOTZZFWGBFW-BBRMVZONSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](C)[C@@H](N)C[C@H]1CC[C@H](CCC)CC1	2017721473	KNOPNUBNTOMEGH-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C[C@@H](N)C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017728870	PVSKPQHNWQQQKL-ZQDZILKHSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H](CCCCNC(C)C)CC1	2017733202	IEJDZDAVHGMXME-WKILWMFISA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C)CCCCN)CC1	2017737285	JXLXHUIIAGIYSK-BZUAXINKSA-N	239.447	4.748	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H]1C=CCCCC1	2018129899	FYSSSEWJKUMDJI-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@H](CC)NCC1(CC)CCCC1	2018139393	RJVNCEOQZHREDY-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCCC[C@H](CC)NCC(C)(C)C1CCC1	2018142260	YQPAAGWBAZWUTO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@]12CCCC[C@@H]1C2	2018576955	DSZZOSVGDHNHAC-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)C[C@@H](C)CC(C)(C)C)CC1	2018954194	DBGJRAWUPRWISG-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCC1(C[C@](O)(CCC)[C@@H]2CC2(C)C)CC1	2018965186	OVAFEHXCCLZYPI-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@@H](C)C(C)C	2019008875	SDBAXQIAZACVII-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]1[C@H](CCC=C(C)C)CCCC1(C)C	2020363233	HKZTXEBHGMLTOS-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H](CCC)C(C)C	2020975119	XPMFFZIGPWRSTL-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCCC[C@H](O)C[C@H]1C[C@H]1C1CCCCC1	2022452063	TUCDSKYMYDHKCM-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](N)CC[C@H]1C[C@H]1C1CCCCC1	2022502188	NSFPUMJOUMRGBH-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](C)[C@H]2CC[C@@H](N)CC2)CCC1	2023547923	UXHITMHRTKXHMI-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CCCC1CCC1	2026165873	FOUSDACRTHKPCA-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](CCCc1ccccc1C(C)C)NC	2027498717	JAUAOTLYSNRCRP-INIZCTEOSA-N	247.426	4.521	0	10	BJAE	
C[C@H]1CC[C@@](CCCC2(C)CC2)(CNC2CC2)C1	2027820061	GEAHZIVFXGDMQL-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](c1ccc(C)c(C)c1)[C@H](CC)C(C)C	2028253344	VYQDMFCDKYAODL-SJORKVTESA-N	247.426	4.636	0	10	BJAE	
CCC[C@H](c1nc2c([nH]1)[C@@H](C)[C@@H](C)CC2)C(C)C	2028264117	OICPDVZMRSCKJB-AVGNSLFASA-N	248.414	4.635	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C1=CCCCCC1	2028751163	PYZUDQMLTFYEMV-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H]1CCC[C@H](CC2CCC=CCC2)C1	2028870024	NOQNMKOZCATOBX-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1=CCCCCC1)C1C[C@@H](C)C[C@H](C)C1	2030243640	YHHFUKVTBCRZBQ-GRDNDAEWSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)c1cccc(C2CCC2)c1	2032343910	LIJFBDQCLYLWKR-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
CC(C)=C(C)CCC(=O)C12CCC(CC1)C2(C)C	2033452937	HFJWJUDYQVZODR-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
C1=C[C@@H](CC[C@@H]2CCOc3ccccc32)CCC1	2035555026	JZVMWPCOHLHQNW-HUUCEWRRSA-N	242.362	4.689	0	10	BJAE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](C[C@H]2C=CCC2)C1	2035604023	YAMCVTNYKGGEPH-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)[C@@H](C)CC(C)C)cc1	2036386553	YLPTVMBENPRXBS-HRCADAONSA-N	247.426	4.716	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C[C@@H]2CCC[C@H](C)C2)c1	2037048586	PMZZLKNTZOERME-MJEQTWJJSA-N	245.410	4.520	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CCCC1(C)CC1	2037179525	OAVIEGWCJHNUJF-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CCCC1CC([C@@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2037686468	MERQETBWPYGPJY-KNIAUWFNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC([C@@H](N)CC2CC3(CCC3)C2)CC1	2038078777	OGGMAGKSWDOEDW-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
C(CCN[C@@H]1CCCC2(CCC2)C1)CCC1CC1	2041296180	KPHBHQLRZACWAF-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H](C)CC(C)C)cc1C	2045561407	FVQULJQIWXRHIS-GFCCVEGCSA-N	246.394	4.867	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NC1CC2(CCCCCC2)C1	2046230510	SUKFQWDAAATZIU-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1C[C@@H]1CN(C1CCCCC1)C1CCCCC1	2046580485	CLJPUPBFGUSLTQ-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2CCC3(CCCN3)CC2)C1	2048950354	JFZRWYWRNKNSEE-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CC2CCC=CCC2)C1	2049528964	MVLCRGWRHRLTMT-HYVNUMGLSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)(C(=O)CC=C(C)C)c1ccccc1	2051363482	SSASRVPFKBUVQX-UHFFFAOYSA-N	244.378	4.670	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)C2(C)CCC2)cc1C	2052330916	HKFNGCZGNWSHON-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
CN[C@@H](CC1CC=CC1)C1(C)CCCCCCC1	2052477204	DPPRVAYICANSIL-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)[C@H]2CCCCC23CCC3)C1	2053410250	DQOYUIIAZONTPS-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CNCC1(CC2CCCCC2)CCC2(CC2)CC1	2056558915	MKFLQKFSCHZTAB-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2CC3(CCC(N)CC3)C2)C1	2056617284	PSUNRXXCTRCUKZ-PYIVJVRMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2[C@@H]3CCCCC[C@@H]23)CC1	2059004066	UDITVXFEUSOEEN-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1CC12CCCC2	2059265900	AZXRUYYIRWLSHS-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC([C@@H](N)CC[C@@]23CCC[C@@H]2C3)CC1	2061601506	HXXDTDCSFMPZBM-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCN(C)CC1CC(=C2CCC2)C1	2061696720	UBVFUJFYLQCBAY-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1CC2(C1)CC2(C)C	2064003299	WQQQZLSQYATYSU-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CCCCN1CC12CCC(CC1)CC2	2065279078	FZFMCHMIHJDRTP-CGZBRXJRSA-N	249.442	4.611	0	10	BJAE	
CCc1ccc(NC2CC(CC(C)(C)C)C2)cc1	2067982312	CKMFTXSOBHYTBI-UHFFFAOYSA-N	245.410	4.876	0	10	BJAE	
CCCCCC1CC(N)(CC2C[C@H]3CC[C@@H]3C2)C1	2068773789	XCZAXWMULPVJNL-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(CC[C@](C)(N)c1ccccc1)C(C)C	2068952846	PQLCEWGSLKNAHN-KRWDZBQOSA-N	247.426	4.569	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)C)c1cc(C)c(C)cc1C	2069012507	ZGFKWOZIKKEFGH-PXAZEXFGSA-N	247.426	4.555	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@H]2CC23CCC3)cc1	2069180825	AVUKPWFEAAABKK-UKRRQHHQSA-N	244.378	4.769	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CC12CCC2)C1CCCCC1	2069191564	ZLURXJBNIUTQCO-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C1(CC2CC2)CC1	2069516680	DTDNOSWUUCSKLA-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1ccc(C2CCC2)cc1	2071491779	XXCCVZPDHSTBAW-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CC(C)C1(C[C@@]2(N)CCCC3(CCC3)C2)CCC1	2071946347	OZPAUNZILIINAN-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)C[C@@H]1C=CCCC1	2072078529	ZQVBRMGKNMGAQE-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C=C[C@H]2CC(C)(C)CN2)CC1	2072817546	DOIIOGKSEURDEB-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)C=CCC[C@@H]2C)CC1	2072880767	ZOVRJXZLEPKGOR-OTBWCIGPSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2073346431	MRRAKHIQGIOXGV-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(CN)(C[C@@]23CCCC[C@@H]2C3)CC1	2074031409	YQPRONPNHISOFV-MYBQVCMBSA-N	249.442	4.502	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CCNC2(CCCC2)C1	2074143076	YCLQPPZUWOGSMQ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC1(CCCN[C@H]2C[C@H]2C2CCCCCC2)CC1	2079532160	VRWLTBXMNCISEI-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2C[C@H]3CCC[C@H]2C3)CC1	2086160640	WSLFBBSLFGFOSY-QAXWGOSPSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H](O)CCCCCCCC1CC1	2210527829	WQYBQCVELWGZLW-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)CC(C)(C)CC	2212598196	TZZLFXONFBRUOL-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCCCC1(NCCCCCCC2CC2)CC1	2213578153	JDLWDHASPRYJJE-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC(C)C1CCC(N)(CCCCC2CC2)CC1	2214576871	AFAVLSHETITLDT-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC1(N)CCCCCCCCC1	2215085962	VKAJFWRYMZSDOF-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@@H]1CC)CC(C)(C)CC	2215266092	NXJVTMQADSTZKW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C(C)(C)C1CCCC1	2215341623	MGVMWURDZQYCCU-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@@H](CC(C)C)C(C)C	2215347796	ZJYZONQQRUXQDB-KFWWJZLASA-N	238.415	4.700	0	10	BJAE	
CC(C)CCC[C@]1(N)CCC[C@@H](C(C)(C)C)C1	2216251271	DPJUYPXURGGMNZ-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CCCCC(F)F	2216420067	YRKCMPGVWBAGMF-OLZOCXBDSA-N	249.389	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H]1NCCCCCCCC1CC1	2216870634	KHCDATCJRNLZRA-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C(=O)C1	2218336642	XGKYRVGHQUQYOO-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H](N)C2C[C@H]3CCC[C@H](C2)C3)CCCC1	2218346681	QROKKJNORZGYAY-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](C)Oc1cccc(C(=O)CC)c1	2220721717	KQVFNTXEDRTSKH-CYBMUJFWSA-N	248.366	4.627	0	10	BJAE	
CC1=C(C)[C@H](Nc2ccnc(C(C)C)c2)CCC1	2220867247	QOVAAIMYJIOPSM-OAHLLOKOSA-N	244.382	4.506	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1CC)[C@@]1(C)CC=CCC1	2220874567	CMXYISJZIGYFAD-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1(CC2(N)CCCCCCC2)CC2(CCC2)C1	2221027563	HSOXAOLWJMBPMD-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
Cc1cccc([C@@H](N)CC2(C)CC(C)(C)C2)c1C	2221029627	AYDNXMKWXBVIHU-HNNXBMFYSA-N	245.410	4.520	0	10	BJAE	
CC[C@](C)(CNC1CC1)CC1(C)CC2(CCC2)C1	2221034743	QCNUILFIDMICTG-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CCCC12CC2	2223119923	GMZYXRNKMYHUSX-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC(C)C[C@@H](C)CC1(CNC2CCC2)CC=CC1	2223541249	GYQUGVCASKDYLL-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@]1(CNC2CCC2)CCCC12CCC2	2223603841	DPEUFCYXYGGDLZ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1cccc2ccoc12	2224198958	XYRHDZHOMIYFQE-HNNXBMFYSA-N	244.334	4.603	0	10	BJAE	
CC(C)=CCC(=O)CCCCC[C@@H]1C[C@H]1C	2243897169	MVDOQPUHXVZZBP-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCC(C)=C(C)C)NC	2244767280	GUZIWNVKHBBLDK-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
COc1cc(C)c(Cl)cc1CCC=C(C)C	2245960539	WBFQJSJWOUSGRH-UHFFFAOYSA-N	238.758	4.556	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC1(C)CC(C)C1	2246584938	LGGGVBGVAGAXHN-LVDPKSTMSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC[C@@H]1CCCC12CC2	2247609231	LJIVPLDIUXBLKN-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](N)(CC)CCCCC[C@@H]1C[C@H]1C	2248814127	LDQBWAKYWJMHLF-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CCCNCC(C)(C)CCCCC[C@@H]1C[C@H]1C	2248839650	CZUIYFFXKSVSBV-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](N)CCC1CC(CC(C)(C)C)C1	2251570060	FYNWHJRENSPAHY-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
CCNC[C@]1(CCCC[C@@H]2C[C@H]2C)CC=CCC1	2254581019	FQMWWWRUUDHPAI-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@@H]2C[C@@H]2C)cc1C	2254589351	VGHGMFKYSDSSRK-ZMSDIMECSA-N	245.410	4.520	0	10	BJAE	
CCCNC[C@@]1(C[C@@H]2CCC2(C)C)CC=CCC1	2255012658	JHULPMYXJQGDMD-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H]1CC(C)(C)CC[C@H]1CC1=CCCCC1	2255092483	UQZPLKSFBNJPJI-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C[C@H]1CCCC12CC2	2255222756	BGZZXKLHFYJQFK-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@@H]2CCCC23CC3)CCC1	2255224030	HQSYIESQEGVLMO-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2CCCC23CC3)C1	2255335955	CSFJNLXJINRMFI-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1C[C@H]1C1CCC1	2257316355	QPQFAMGWFSHIHC-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CCCC1(COc2cccc3c2CCCC3)CC1	2257477519	QHUGQLZFJHPZHL-UHFFFAOYSA-N	244.378	4.525	0	10	BJAE	
Cc1cc(N[C@H](C)[C@H]2CC23CCC3)cc(C)c1C	2258232381	BPIJOSUPLFRFHQ-GDBMZVCRSA-N	243.394	4.602	0	10	BJAE	
C[C@]1(CN)CCCC1=CCCCCCCC1CC1	2258862904	YAUKDSXBGVSRQB-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
C[C@H]1CC[C@H](CNc2cc(C3CC3)ccc2F)C1	2259116311	PCFCDIJZHDIBCC-RYUDHWBXSA-N	247.357	4.551	0	10	BJAE	
CN(C[C@@]12CCC[C@H]1CC2)C1CCCCCCC1	2260563536	ACXSZYKOBWONNO-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2C[C@]12CCC[C@H]1CC2	2260602834	KVUSHAQGMGSYIV-JKIFEVAISA-N	241.378	4.556	0	10	BJAE	
Cc1ccc(NC[C@@]23CCCC[C@@H]2CC3)cc1C	2260620856	LDRRAIUJVUTJQC-WBVHZDCISA-N	243.394	4.686	0	10	BJAE	
CCCCCC(=O)Cc1cccc(C(C)(C)C)c1	2261362270	JBLRXPHLEUZYMK-UHFFFAOYSA-N	246.394	4.676	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(N)CCCC(C)C	2300504580	BQTKKYXEWYHZMO-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
CC[C@]1(C)C[C@@H]1NCC=C(C)CCCC(C)C	2300860518	IIENCHJOQAGRTA-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(=CCN(C)CC(C)(C)C)CCCC(C)C	2300885191	DGWCTSPFUSWWAS-UHFFFAOYSA-N	239.447	4.737	0	10	BJAE	
CC(=CC[C@H]1CCC[C@@]1(C)O)CCCC(C)C	2300892224	ARFRGJFJEDUMFU-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)C(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301138976	BPLKBEGEGZQTHQ-AEGPPILISA-N	236.399	4.598	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1CC[C@@H]1C(C)(C)C	2303486501	DUUJOFYBMZRYNU-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)CCC(C)(C)C)CC1	2303597560	RKAXQPKUQOTXMD-HUUCEWRRSA-N	237.431	4.680	0	10	BJAE	
CCC[C@H](CC)CC(N)(C1CCC1)C1CCC1	2307824063	QYXSVGFHCRCEAJ-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NCC	2310191662	ILBICBJZIKFBRN-AXRXUNOHSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CC[C@@]12CCC[C@@H]1C2	2310388425	XVUQYDCBIZSUBC-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@@]23CCCC[C@@H]2C3)C1	2311146868	XPJNYWSRGMZTPE-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)[C@@]12CCCC[C@@H]1C2	2313032219	ZOXURNBAEQUVNR-LJIGWXMPSA-N	248.410	4.742	0	10	BJAE	
CCC1(CC)CCC(NCC=C(C)C2CC2)CC1	2315266772	SYUQHPLLIAUARF-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H](C)c1ccco1	2315888401	RRALDIBYIAPKAI-ZDUSSCGKSA-N	243.350	4.885	0	10	BJAE	
CCC(CC)CCC(=O)C1CC2(C1)CC21CCC1	2316250785	DZRCKXDTNMSDEQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(=CCN[C@@H]1CC12CCCC2)CCCC(C)C	2316498855	HIMLHWYETAPASG-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1ccc(C2CCC2)cc1	2316507790	FKAHEDAMTQMHTN-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CNC[C@]1(CC2CCCCCC2)CC=C(C)CC1	2317000528	DCXQFEBRASKBPP-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H](C)c1ccoc1	2317916465	ZMRCVJJAIYEJAN-LLVKDONJSA-N	247.313	4.715	0	10	BJAE	
C[C@H]1[C@@H](Nc2ccccc2C2(C)CC2)CC1(C)C	2318184985	UNSRPLXYESOTPI-WFASDCNBSA-N	243.394	4.585	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)C[C@]12CCC[C@@H]1C2	2318581617	YPMFLNRFQCTZSA-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccc2[nH]c([C@@H]3CC3(C)C)cc2c1	2318849568	SCJHTOARJIHXIU-ZDUSSCGKSA-N	241.378	4.979	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H]2CCC23CCCCC3)CC1	2320237649	MDWCRJSLHAQOAE-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
Cc1ccc(NC[C@H]2CC[C@@H]2C(C)(C)C)c(C)c1	2320240078	JSENPXMUHTVOEE-CABCVRRESA-N	245.410	4.788	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@@H]1CCC12CCC2	2320258824	PBMUCXNMPMATFM-MJBXVCDLSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C[C@@H]2C[C@H]2CC)cc1	2320352952	RYORUHGUZWRWOR-ZENOOKHLSA-N	244.378	4.819	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CC2C[C@@H]3C[C@H]3C2)CC1	2320410798	GZCPJUJNNIGZIF-FVQBIDKESA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@@]23CCC[C@H]2C3)CC1	2320423366	LUTAKTAJHXUBSU-VYDXJSESSA-N	246.394	4.662	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C2=CCCCCC2)c1	2320519339	WIZOEQZZSCIWSZ-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@@H](C)C(C)(C)C)c1	2327708623	QOAHYTBRGSLPRV-CJNGLKHVSA-N	248.410	4.834	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1c(C)cc(C)cc1C	20482423	JALDHPAXDSIYRO-DOTOQJQBSA-N	247.426	4.828	0	10	BJAE	
CCCCCN[C@@H](c1ccccc1)C(CC)CC	37107615	VXTWAFCSVISSQS-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
Cc1ccc([C@H](O)C[C@H](C)CC(C)(C)C)s1	40242324	ZQUFUQFRBVNXJH-CMPLNLGQSA-N	240.412	4.552	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)c1ccsc1	50338105	FIBSYQIAMGXQKM-VIFPVBQESA-N	237.755	4.575	0	10	BJAE	
CCCC[C@H](CC)Nc1cc(C)ccc1F	68986032	NABAGAGZVRNNEF-LBPRGKRZSA-N	223.335	4.515	0	10	BJAE	
CCCCCCn1c(=S)[nH]c2cc(C)ccc21	70468429	LUPDFSQNJLEOTO-UHFFFAOYSA-N	248.395	4.588	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2C[C@H](C)CC[C@@H]2C)c1	85085203	GOROUYQJAJQPPF-DIOULYMOSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(C)CCCCCN1	85874626	BUCPOSFMNRORNV-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H](C)CCC)CC1	86566073	RDVQOKMQVFCJAR-FHERZECASA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCCCC1(C)C	86843077	JQQDEOVJMHOVIB-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@H](NC)C1CCCCCCC1	87690469	NTQUPOBOBAGUSE-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Sc1cccc(N)c1C	91941721	IJXIVYVIDMIGLW-SWLSCSKDSA-N	249.423	4.638	0	10	BJAE	
CCCC[C@H](NC(C)C)[C@@H]1CC[C@H](C)[C@H](C)C1	93074180	VXZYFMAJWORSAC-JJXSEGSLSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc(F)c(C)c1	103973299	NFKYFSDSHKLEAU-YPMHNXCESA-N	237.362	4.761	0	10	BJAE	
CCCCc1ccc([C@@H](CC)CC[C@@H](C)N)cc1	107478961	IVLNRXCFROLFOZ-ZBFHGGJFSA-N	247.426	4.650	0	10	BJAE	
CCc1cccc2cc(C(C)(C)C)c(Cl)nc12	109607234	UGGYSFCVCFFHSK-UHFFFAOYSA-N	247.769	4.748	0	10	BJAE	
CC[C@@H](N)c1ccccc1SC1CCCCC1	123218690	RLSYWPDYIPAHTC-CQSZACIVSA-N	249.423	4.521	0	10	BJAE	
Cc1ccc(-c2c(F)cccc2Cl)c(C)c1	160402556	ZADRTVFUGIYTLO-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
C/C=C/CCN[C@@H]1CCCC[C@@H]1C1CCCCC1	161673974	NCBBJNYRWHELEJ-MLMMWPPISA-N	249.442	4.681	0	10	BJAE	
CCCCCC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	164763826	IGJRIUUTKQFPFT-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1cccc(C)c1F	165806351	DBLHJWDWHZOFAZ-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)c1cc(C)c(C)cc1C	168702246	BIBMJUNVFIDXJW-SJKOYZFVSA-N	247.426	4.699	0	10	BJAE	
CC(C)(C)c1ccccc1OCC1CCCCC1	203496342	WKWNVFHSUIBSPE-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
C/C(=C\CCNC(C)C)c1ccc(C(C)C)cc1	211858306	AQUKYRCKJZHNSD-VIZOYTHASA-N	245.410	4.601	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC[C@H]2C(C)C)cc1	214457412	ZSKOVMJUUBUWMI-DLBZAZTESA-N	245.410	4.876	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2ccc(Cl)cc2)[C@@H](C)C1	221642646	VNLXUKHSIXFOGY-COPLHBTASA-N	237.774	4.577	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc(C)c(Cl)c1	229183948	YLURXCLWPMPNQU-CQSZACIVSA-N	240.774	4.652	0	10	BJAE	
CCC1CCC(c2cccc3c2CCCN3)CC1	232925791	RRNKGQDPJTUKKC-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@H]3CCC[C@@H]3C)c2c1	235579415	XWAMBQSXTFVWPW-AAEUAGOBSA-N	227.351	4.688	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)c1cccc(Cl)c1	236306145	GUNBXNWFVUGKIQ-HNNXBMFYSA-N	249.785	4.620	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@H]1NC1CCCCCCC1	251857406	POCDIAUYVVNYHU-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@H](C)CC(C)C	308059329	VXIOWGUILCJRJE-ZIAGYGMSSA-N	226.404	4.700	0	10	BJAE	
CC1(CNc2ccc3sccc3c2)CCCC1	310145034	LHFOKRNXHDIBTP-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
CC(C)c1sc(C2CC2)nc1-c1ccccc1	310242983	UMLXFRYXTGFZOM-UHFFFAOYSA-N	243.375	4.811	0	10	BJAE	
CCC[C@H](CCC[C@H](C)C1CCCCC1)NC	310396552	HSQUFXZYMPSBQQ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)C1=CCCCCCC1	310601331	KCBNMJAOBJHNNA-MSWBCGDUSA-N	249.442	4.992	0	10	BJAE	
CCC1(C(=O)c2ccc(C)c3ccccc23)CC1	310647896	WLSNITPWUMINRT-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
CCNC[C@]1(CCCC(C)(C)C)CCC[C@H]1C	317270965	BUEVREOYCFCXMS-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CC[C@@]1(CNC(C)(C)C)CC[C@@H](C)C1	318029101	PLVFKTAAFZRIDZ-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]([C@@H](C)[C@@H](C)CC)C1(C)CCCC1	318832916	FOZVYWKUUJNJOC-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@@H](C)CC(C)C	379637403	RAKLDKKLIRMCCA-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC(C)NC[C@@](C)(CCCC(C)(C)C)C1CC1	382682648	WACRLRCXFFTLKM-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCC1CCC(C)CC1)C(C)(C)C	383685305	PPHZHTHWQSSYON-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](O)CC1CCCC1)C1CCCCC1	383897424	VWTUFSTVRFJDFQ-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](O)c1ccc2sccc2c1	386605317	GZNVDIPXKHGBPN-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CC12CCCCC2	387259878	KYZTXXSKEGIEIM-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@@](C)(CCCCCC(C)C)C1CC1	394872180	TXDPTBMVEURJLR-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1ccc(Cl)s1	395237826	SKEFBECJYWZYSD-NSHDSACASA-N	246.803	4.651	0	10	BJAE	
CCc1cc(CC)c2c(SC)csc2c1	396177683	MPLQPVCMGGTPKL-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1c(C(F)(F)F)sc2c(F)cccc12	396293713	GSUHFZLJTDLMCT-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCCCC1CCC([C@@H](N)CC2=CCCC2)CC1	401122947	OPAIINHVKUIRAK-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	403431137	UJXWCBZYUBIYQI-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1Nc1cccc(C2CC2)c1	690074934	GYGBNPBXQWYSGG-IGCXYCKISA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@@]12CCC[C@@H]1C2	693150665	PYEZHGLZZFWGGR-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H](C)C(C)(C)C	695655412	MMZSAKUJGIUGIE-CYBMUJFWSA-N	247.426	4.966	0	10	BJAE	
CCCC[C@@H](CC)NC[C@@H]1CCCC2(CC2)C1	695678062	GDIBWSUEBHXNEV-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](C)NC1CCC2(CC1)CC2	695757883	DLZMVAFDGUWPNC-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
OC[C@@H](CCC1CCCCC1)C1CCCCC1	696822046	HDWGPWYUSNJRPV-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CCC(C)(C)C	697759998	CILPCQGAGNESCJ-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H]1C[C@@H]1C(C)(C)C	699993104	BPTSMEDOLBVHHB-JYJNAYRXSA-N	246.394	4.526	0	10	BJAE	
CC1(C)C[C@]1(C)CN[C@@H]1CCCC12CCCCC2	702009020	YFEFYPADNAFBEW-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@]1(CNC(C)C)CC1(C)C	702104294	XNMJRGGWHNQIJN-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCC[C@@H](C)CC(F)(F)F	704573841	IBTGPVGXXUFRJT-SNVBAGLBSA-N	208.267	4.711	0	10	BJAE	
CCCNC[C@]1([C@H]2CCCC[C@H]2C)CC=CCC1	704833977	FVKULZZKGBCNGN-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C(=O)[C@H]1CCCC[C@H]1C)c1ccccc1	704920458	BGKUZVNXKMRQMQ-KBMXLJTQSA-N	244.378	4.576	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(CN)CCC[C@@H](C)C1	709075590	DJUMSYAHDLZXFB-IJEWVQPXSA-N	239.447	4.604	0	10	BJAE	
CCNC[C@@](C)(C[C@@H](C)CC(C)(C)C)C(C)C	709124228	MGJOZVMBQMTUHE-GOEBONIOSA-N	241.463	4.721	0	10	BJAE	
CC(C)NC[C@](C)(C[C@@H](C)C(C)(C)C)C(C)C	711172100	PIDMOGXCAYAIQM-ZBFHGGJFSA-N	241.463	4.719	0	10	BJAE	
CC(C)(C)C[C@](C)(O)c1cc2ccccc2s1	713190127	TXNIAWZPWGDARL-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@H]1CC(C)(C)CC	713269712	SCWHXQLYOPAYEY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC/C=C/C[C@H](C)c1cc(Cl)ccc1OC	714539568	BQAFMIJLVXFPMJ-QRGHLMKCSA-N	238.758	4.808	0	10	BJAE	
CC1(C)C[C@]1(C)CNc1ccc(C2CCC2)cc1	717124582	OAZKPJZZFPHGIV-QGZVFWFLSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CC[C@@H](N[C@@H]2CCCCCC2(C)C)C1	719290641	XMSBSXPRPTVLEP-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)[C@H](C[C@@H](C)c1ccccc1)NC	721700512	ZTZVPOBRIXSZTE-ZBFHGGJFSA-N	247.426	4.595	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCCC3(CC3)C2)c(C)c1	723569610	SEBYMITWPFEJMB-OAHLLOKOSA-N	243.394	4.747	0	10	BJAE	
CNc1ccc(-c2cccc(C(C)C)c2)cc1	723894576	NEEMJYCXUQETCL-UHFFFAOYSA-N	225.335	4.519	0	10	BJAE	
c1ccc(CCCCSCC2CCC2)cc1	1166005324	LDIGVZZQKBJOJP-UHFFFAOYSA-N	234.408	4.543	0	10	BJAE	
C1CCCC(CNCC2(C3CCC3)CCC2)CC1	1461553584	XPLBVOSVQVWQQF-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C1CCC(SCC2CC3(CCC3)C2)CC1	1472939020	OIHMHUBZCUFBGQ-UHFFFAOYSA-N	224.413	4.633	0	10	BJAE	
CCC(C)(C)CCNC(C)(C)C1CCCCC1	1617555190	SXVAVJNDXWBVSV-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1SCCC(C)(C)C	1652619075	CBCNVFLSRJSMPT-UHFFFAOYSA-N	208.370	4.523	0	10	BJAE	
C/C=C/CCCc1ccc(Cl)c(Cl)c1	1885373944	QLKAWYVOLNEYEK-NSCUHMNNSA-N	229.150	4.892	0	10	BJAE	
CCCc1ccc([C@H](O)[C@H](CC)CCC)s1	1900675279	FGKKVYMLAJWKDZ-BXUZGUMPSA-N	240.412	4.560	0	10	BJAE	
CCCCCCC(=O)C[C@H]1CCC(C)(C)C1	1902293593	NDMKAIHWFISZKK-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CC(C)(C)CCC=C1CCC[C@@H]1[C@@H]1CCCCN1	1911841389	OJIOLTNQXWTMCY-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CCC(=O)CCC=Cc1ccccc1	1911927076	UFBCGORXKHVNMO-UHFFFAOYSA-N	244.378	4.875	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@H]1CCC[C@H](CC)C1	1911940751	ZDMOKRNNBNFVFG-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)CC1(O)CC2(CCCCC2)C1	1912709836	CMPWOSHOQBMFRG-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@@H]1CCC2(CCCC2)C1	1916434326	JKUGWQJWIAKLMB-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC(C)(CN[C@H]1CCC2(CCCC2)C1)C1CCC1	1916435772	PFFZNYRTPBIFCO-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@@H]1CCCC[C@H]1CC	1920196150	GOUSTGIDFSZGRI-ZJIFWQFVSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C1CCCC1)C(C)(C)CC	1924096318	BZCSMVHUHIZIPU-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](N)CC(C)(C)C(F)(F)CC	1926383917	OTJGDVWOVYHJTE-GFCCVEGCSA-N	249.389	4.602	0	10	BJAE	
CCCC(CCC)[C@H](O)c1csc(CC)c1	1936757223	STTLPIJAGJROGU-AWEZNQCLSA-N	240.412	4.560	0	10	BJAE	
CCC[C@H](C)CCNCCCCCC(C)C	1937292191	WMISPRACXMGXBF-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)c1cscc1C	1938844432	YYTIXNKADGFVKR-OCCSQVGLSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@@]1(CN)CCC[C@@H](C)CC1	1939903587	OLISBOOKIDLTHR-HUUCEWRRSA-N	225.420	4.502	0	10	BJAE	
CC(C)C(C(=O)CCC[C@H]1CC1(C)C)C(C)C	1940881107	KXLZFQVTVFJZCG-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
CCC1(C(=O)C2CCC(C(C)(C)C)CC2)CC1	1941160986	VQJRNLGCPSUYCN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCCCCC2CC2)C1	1941574478	BEEHVMXCEIQPAP-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CN[C@H](CCC(C)(C)C)CC1CCC=CCC1	1941819130	SAMFEHQSWHUXTN-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC(C)([C@H](N)CCCCCC2CC2)C1	1941984007	OYFLZPCGIIBQLU-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@@H](C)CCC(C)C	1942658958	IDTRSKQTZGCNKV-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](N)C(C)(C)C1CCCCC1	1944660936	NDNSJNMGVFXMNK-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)C[C@@H]1C=CCCC1	1947589786	XVCQHERJWXADBA-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CCC(F)(F)CC)CNC(C)(C)C	1947888273	HTXSHAGGQJXGHY-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)N[C@@H](C)CCC(C)(C)C	1948327194	NFANGYMECWWLFW-SOUVJXGZSA-N	241.463	4.862	0	10	BJAE	
C[C@H](C[C@@H](N)C1(C)CCCCCC1)C(C)(C)C	1949042995	JPAWCJOUFSZKFS-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@]1(CO)CCCC(C)(C)CC1	1950911443	ONDCWCRCLQJASE-MRXNPFEDSA-N	240.431	4.926	0	10	BJAE	
CC1(C)CC[C@H](CN2CCCC23CCCCC3)C1	1962983685	GYWJWRGQLBPYDE-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(-c2nc([C@H]3C[C@@H]3C)cs2)c(C)c1	1968436296	QRVKYSNEUJEDQO-AAEUAGOBSA-N	243.375	4.550	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cc(C(F)F)cs1	1977078795	NUCUVLQPRJKPAG-GZMMTYOYSA-N	248.338	4.545	0	10	BJAE	
CC=CCCCCC1(COC)CCCCC1	1984605176	GCBMVQGXOCJHED-UHFFFAOYSA-N	224.388	4.720	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@H]1CC[C@H](CC)CC1	1989838537	HPCHVCXCKIZGGW-MGPQQGTHSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)CCC1CCCC1	1990089193	BABLTZVXHFQZSN-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCC(C)(C)C[C@@](C)(N)C1CCC(C)(C)CC1	1996594952	RBWUXFVEBMQYQS-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2(C)CCC2)CC1	1997115280	GZKWUVFSEPGHGP-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)[C@H]1CCC[C@@H](CC)CC1	1997116317	JVEFRASPQRPWCT-CQJMVSDSSA-N	239.447	4.602	0	10	BJAE	
CCCCc1ccc(N[C@H]2CC[C@@H]2CC)cc1	1998753719	XPEOOCKYTGVLKB-HOCLYGCPSA-N	231.383	4.630	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCCC(C)(C)C1)C(C)C	2000160987	BIWYSVBQXGYRSY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](C2(N)CCCCCCCC2)C1	2003098702	HRVJTFKCIUEGFR-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@]1(C)C=CCC1	2003330906	UQMFMKYDBSNFHG-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)C1(C)CCC(C)(C)CC1	2007683785	VDLRLWCXXBORGT-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC1CC(CC)C1	2007812654	OUIHXXCVSKLAGL-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(C[C@H]2CCCC(C)(C)C2)CCCN1	2009066882	JQYAKQGFCSONNP-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](CC)CC1)C(CC)CC	2010719104	UAZXTIZTHILLFW-XJKSGUPXSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)C12CCCC1CCC2	2012139215	MVAMFJBXNGBKKM-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
C=CC=CCC[C@](CC)(CNC(C)C)C(C)C	2012421867	QEGWDJXWNYMRGP-MRXNPFEDSA-N	237.431	4.559	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCCCC[C@H]1C(C)C	2013482233	BIARYLRWNYWMPO-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)C1C[C@H]2CC[C@@H]2C1	2015206274	MQHJJKMZRPCFET-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H](C)C[C@@](C)(N)C1CCC(C)(C)CC1	2015410608	DEJNPQSOFHUMFS-XJKSGUPXSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@]1(C)C[C@@H]1C)NCCC	2016453461	AGHQWOYTWIHXOP-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CCCCC[C@@H]2O)CCC1	2017117205	SMTLJBXRIMUPTI-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC1(C(C)C)CCC1	2017118025	BWKVHXNRWMMZMF-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CC1(C(C)C)CCC1	2017119755	VWWGKTKWHSKMKC-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC1(C(C)(C)C)CCC1	2017125734	RNJCZVIMMDKKPT-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](NCC)C(C)=C(C)C	2017479117	YMRBYWBQWYGXMG-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H]1CCC(F)(F)C1	2018131787	QCIFJHBTNWAKKD-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCC[C@@H](CC)C2)CC1	2018915251	FDMSMBAEDZZGMP-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCN1CC[C@H](C(C)(C)C)C1	2019343399	ZOFJIPBDPHUJGH-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
C[C@H](C[C@@](C)(O)CC1CCCCC1)C1CCC1	2019767538	LTWMGUGNGLVXII-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCCCC(C)(C)CNCC(F)=C1CCC1	2023242176	DCZUVQXYGZHTMN-UHFFFAOYSA-N	241.394	4.590	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)C[C@H]1CCCC(C)(C)C1	2024094851	NCGWRHYDAGLUTG-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC(C)(C)CC[C@H]1O	2024150559	XOKAYZOPORCORL-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C=C1CCCCC1	2026168487	AHIBAGGTJAREJN-GOEBONIOSA-N	237.431	4.811	0	10	BJAE	
CC(C)(C)C1CCC(N)(C2=CCCCCC2)CC1	2026896327	JHBMTNJSAKPMAS-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC[C@H]2CC[C@H]21	2027976591	YNTZTSOFAWACCR-QBPKDAKJSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c([C@H](N)[C@@H](CC(C)C)C(C)C)c1	2028261327	GYYWNTLZKXQIBK-DOTOQJQBSA-N	247.426	4.622	0	10	BJAE	
Cc1ccc([C@H](N)[C@@H](CC(C)C)C(C)C)cc1C	2028263520	MVJMXUUEWPWBTD-IRXDYDNUSA-N	247.426	4.622	0	10	BJAE	
CCCC[C@H](N[C@H]1C[C@@H]1C(C)C)c1ccccc1	2028463733	AKJCWRJKESBZKN-IKGGRYGDSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1C[C@@H]1C1CCCC1	2028466017	QBQLYFQOSMQSQJ-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](C=Cc1ccccc1)NC	2028582973	FOLHQYWMXSIPBJ-IRXDYDNUSA-N	245.410	4.504	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C(=O)c1ccc(C2CCCC2)cc1	2031745025	JYNJTPFYXPWCAJ-SJKOYZFVSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)C[C@H](O)c1ccc(C2CCCC2)cc1	2031747220	UYWUPWRWHJGTAT-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccccc2C2(C)CC2)C1	2032242600	JROALQQLKFLRIN-UONOGXRCSA-N	243.394	4.729	0	10	BJAE	
CCC/C=C/CN[C@@H](C)c1cc(C)c(C)cc1C	2036762837	HDKXJZCBEDXDIR-FDMDGMSGSA-N	245.410	4.619	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CCCC1CCC1	2037144268	WMERUWLZNPUSEG-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)CC1CC2(CCC2)C1	2038079222	SRBWRKUGPPJQAI-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CCC3(CC3)C2)CC1	2038581065	YJCUYZUPVAMZAR-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2038619854	VDXUBGGGZZDVNX-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC12CCC(CC1)C2)C1CCCC1	2039419581	GPWOSCQERUAXPJ-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](NC[C@]2(C)CC=CCC2)CC(C)(C)C1	2042067399	KDYYBFBJNIOTLO-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2042350505	OWUSPIBVNBDEDZ-FIDHJVLJSA-N	249.442	4.536	0	10	BJAE	
C[C@H](N[C@H](C)CC1=CCCCC1)c1ccccc1	2043192239	UFHCRLYAHZRFPU-CABCVRRESA-N	243.394	4.616	0	10	BJAE	
CC(C)(C)C1CC(C[C@]2(N)CCC3(CCC3)C2)C1	2043615327	MCWKICDPCIMTON-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCC=C1CC[C@H]2CCCN[C@H]2C1	2048081371	LANLCOAKNWJVMT-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@H]1CC12CCCCC2	2048874002	HOGVIHZUAMSDHS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@@H](C[C@H]2CCC3(CC3)C2)NC)CCCC1	2049855002	NBMOPOUTONJHRO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)C[C@H]1CCCC2(CC2)C1	2049861471	WQMIFFLIBAZYPK-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@]1(C)C=CCC1	2049990801	CAKNFOJGTJVQSR-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC1=C[C@H](N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CCC1	2055550328	SIZUUDSRBLVZSB-WCXIOVBPSA-N	249.442	4.536	0	10	BJAE	
C[C@@H]1CCCCCCN1C[C@H]1CC12CCCCC2	2057103872	URONVKNYKIZMGR-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
C/C=C/CCC[C@@](C)(O)c1ccc(C(C)C)cc1	2059222574	BEELJOOVHIWDCG-FUTAKVPZSA-N	246.394	4.764	0	10	BJAE	
CCN[C@H](CC1=CC[C@@H](C)CC1)CC1CCCC1	2060929114	JWBHYSZPRUHRQB-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CC1CC(=C2CCC2)C1	2061656483	IPJOVJCGEORRRO-SUMWQHHRSA-N	247.426	4.565	0	10	BJAE	
CN(CC1CC(=C2CCC2)C1)C1(C)CCCCC1	2061706711	IMIOZXGMQLURRD-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CC1(C[C@H](N)CC2C[C@@H]3CCC[C@H]3C2)CCCC1	2063492039	WHYJTKDWSJHSOI-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](CNC23CCCC2CCC3)C1	2063905493	NBVVKUDUHWZCCK-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](CNC23CCCC2CCC3)C1	2063905494	NBVVKUDUHWZCCK-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@H]2CCC2(C)C)cc1	2068289289	GFXXTGRCJWYRGQ-SWLSCSKDSA-N	244.378	4.819	0	10	BJAE	
C[C@H](C(=O)CC1C[C@@H]2CC[C@H]2C1)C1CCCCC1	2068710324	JIKVILYLJZBQMM-RCBQFDQVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC12CCC2)C1(C)CCCC1	2069216167	WZPKBJHQSIEJHE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC1(CN(C)[C@H]2CCC23CCCCC3)CCC1	2069325346	BJFFHNBZMUAFNL-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@H](NC)c2cccc(C)c2)CCC1	2069344748	NTEZMZPXQRTBHZ-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC=C(C)[C@H]2N)CC1	2072806197	JQSSJTGCVIOCPL-BHUNQDJPSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C[C@@H]2CCC[C@@H]3C[C@H]23)CC1	2072871173	LSROMUVOFCWPRY-NBFUAULTSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(N)(C[C@@]23CCCC[C@@H]2C3)CC1	2074025716	QEQULFRVPXTNPA-GMRIPVOYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CCC1(CC)CC1)c1ccccc1	2074625897	FWUDTBYGWDGDMR-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
C[C@@H]1C[C@@H](N(C)[C@@H]2C=CCCCC2)CC(C)(C)C1	2075402206	VDAPZDFPVBZRBR-BZUAXINKSA-N	249.442	4.632	0	10	BJAE	
CC=C(CC)[C@H](NCC)c1c(C)cc(C)cc1C	2077189546	JGOBKRWFRNYXGL-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
CC1(F)CCC(Nc2ccccc2C2CC2)CC1	2077265332	POTVVAAVCUKUDW-UHFFFAOYSA-N	247.357	4.647	0	10	BJAE	
CC(C)(C)C1CCC(=C[C@@H]2CCNC2(C)C)CC1	2077976137	PCUKFVSIPRBZDQ-LOACHALJSA-N	249.442	4.537	0	10	BJAE	
O[C@]1(C=C2CCC2)CCCC[C@H]1C1CCCCC1	2080097487	FMKXEUCVFKCFPM-IRXDYDNUSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](C)[C@H]1CCC1(C)C	2081946995	NMEVICRZKZYBAL-SMDDNHRTSA-N	249.373	4.625	0	10	BJAE	
CCCC1(C[C@@H](O)c2cc(C)cc(C)c2C)CC1	2082941830	KRPCEKNJVXRJDJ-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
CCCCCC[C@@H](NC)C1C2(CCC2)C12CCC2	2083562349	IZZCUIBAMATARY-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(C)c(Cl)cc1F	2210738520	WVJRLFYAFBGFHZ-SNVBAGLBSA-N	243.753	4.778	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CCCCC1CC1	2211122809	XMJFVHXFBQZJGB-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](N)[C@H](C)CCCCCCCC1CC1	2212463236	QDHAYLIOBBUUKZ-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@](O)(CC)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213273899	WVKGZXSFPLNBTR-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC1([C@H](O)CCCCC2CC2)CCCCCC1	2214571533	WOODPHWXSDQMLS-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CN)CC=C(C)CC1	2215827269	UTZWWCSBDFHGHI-CVEARBPZSA-N	237.431	4.668	0	10	BJAE	
C/C=C/CCC[C@H](CCCC(F)F)NCCC	2216405172	BKBPTEQBFIGOOO-MASHWEEQSA-N	247.373	4.536	0	10	BJAE	
CC(C)=CC[C@H](O)CCCCCCCC1CC1	2216859154	GTVGSLNHDCBOON-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C)NCC1(CC(C)(C)CC)CCCC1	2217145553	QTPXPWBNQJBSEZ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CCC(C)(C)C)N2	2217468317	NMZLFBLGOKDPEP-CQSZACIVSA-N	231.383	4.548	0	10	BJAE	
CCC1CC(CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218330756	BMRDKEBKRPPDMQ-OQVSOFDRSA-N	248.410	4.598	0	10	BJAE	
NC[C@]1(CCCCCCC2CC2)C[C@H]2CC[C@H]1C2	2218721285	QIUHGHQAPMYVRH-ULQDDVLXSA-N	249.442	4.502	0	10	BJAE	
O=C(C/C=C/c1ccccc1)CC1CCCCC1	2219086649	FBVVBJCKKYPGBQ-KPKJPENVSA-N	242.362	4.629	0	10	BJAE	
CC[C@@H]1CCC[C@H](n2ccc3cccc(F)c32)C1	2220310260	DLDPHTKNURNUSW-OCCSQVGLSA-N	245.341	4.922	0	10	BJAE	
Cc1ccc(-c2ccccc2C(C)C)c(C=O)c1	2220786763	HBAIANJNGQMUBR-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccnc(C(C)C)c1	2220902278	PGFULBLALOEOAY-ZFWWWQNUSA-N	246.398	4.586	0	10	BJAE	
C[C@](N)(C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCC1	2222956139	ZLWVMNSNXNIXLZ-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC=C[C@H]1NCCCCCCCC1CC1	2223117946	LKPREJXOWGEWTJ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
Fc1ccc(C[C@@H]2C=CCCC2)c(F)c1Cl	2243050305	OCFBVALWXUGFCL-SECBINFHSA-N	242.696	4.517	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)CCC(C)(C)C	2243067476	RKZOXDXJVOGZPW-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](N)CCCCC[C@@H]1C[C@H]1C	2243903674	VQZLLGCFUOSFRY-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
Clc1cccc(-c2ccc3ccsc3c2)n1	2246119127	UCNWTWIFBUZFJW-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CC[C@](O)(CC[C@H]1CCC[C@H](C)C1)C1CCC1	2246686995	KWYJKZFFGYHIAC-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
Cc1ccsc1-c1cc(C=O)cc(C(C)C)c1	2247256394	WKTCDQVXGKMGQN-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2CCC2(C)C)CC1	2247448819	WTPLGYDLJDJKFC-MFOWVQHXSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCC(=O)CC[C@H]1CCCC12CC2	2247584453	QHBQGXQUNNCQFR-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCC=CCN[C@@H]1CC(C)(C)CCC1(C)C	2251678642	NQJWKZHLFHPHBF-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)C[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251719659	BZWIQVYAYLQWDN-CHWSQXEVSA-N	238.415	4.700	0	10	BJAE	
CCCNC[C@]1(CC2(C)CC(C)C2)CC=CCC1	2253661355	GYBTWESDQYHEKE-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc2c1N[C@H](CC1CC(C)(C)C1)CC2	2253868937	NOUHUQUOZQTILJ-HNNXBMFYSA-N	243.394	4.548	0	10	BJAE	
C[C@@H](NCC[C@@H]1CCCCC12CC2)C1CCCC1	2253883430	JKSSLRRZKQEMAD-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC(=O)[C@H](C)CCC12CC3CC(CC(C3)C1)C2	2253902873	BPIQNPCMDDPBPV-JISDDCRVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@@H]2CCC23CCC3)C1	2255025886	PAEBBSODMFZBOJ-OWCLPIDISA-N	249.442	4.502	0	10	BJAE	
C[C@H](NCC[C@H]1CCCC12CC2)C1CCCCC1	2255231894	DANLKZSYZWMIOJ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1C[C@H](C)CC[C@@H]1C	2256142517	SOSJYVPVCPNHNA-TYNCELHUSA-N	249.373	4.625	0	10	BJAE	
CCCc1ccc([C@@H](N)CC2(CC)CCC2)cc1	2256294758	VKHIGYAJQDRFPD-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1cc(C2CC2)ccc1F	2259106688	BHSVLSLEZBCFOW-JSGCOSHPSA-N	247.357	4.551	0	10	BJAE	
CCCN(C[C@@]12CCCC[C@@H]1CC2)C1CCCC1	2260569136	MFNXBJHYMTYNNB-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@@]23CCC[C@@H]2CC3)CCC1	2260620524	PYWPXNZUIZNMBP-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCNC12CCCC2	2300701057	PCBHDBHGSPOBJG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(=CC[C@@H]1CCCC(=O)C1)CCCC(C)C	2300868330	XLSIIZOOSPJYCK-HNNXBMFYSA-N	236.399	4.908	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1CC(C)(CC)C1	2300899188	LWQPNZNLYIRTBK-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CCCCC12CCCC2	2300899421	NVNBJLMEZNIPJU-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCC(C)=CCC(=O)C(C)(C)C1CCCCC1	2300926514	MLPOWEFWJUZIHU-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CC(=CC[C@H](N)CC1(C)CC1)CCCC(C)C	2300933005	YTRZGUDIFNIOHK-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
Cc1cc(N)ccc1SCC1CCCCCC1	2301246943	LFJHFHUTCAXDSZ-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCCC2=CCCCC2)C1	2302352387	SVZCZTDKYZSNKK-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)C[C@H]1CCC(C)(C)C1	2302715426	FVLMUXGSXGAEGB-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCCC[C@@H]2C[C@H]21	2302837246	TYQZEVHROQPKPG-LALPHHSUSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@@H](C)CCC[C@@H]1CCC(C)=C(C)C1	2303527759	VZTKAPLXXUVEFS-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)C(C)(C)C(C)C)CC1	2303585483	XUSXKPIPPQAQQZ-GJZGRUSLSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(C)CCC[C@@]2(C)O)C1	2304430845	FBHYYHHTWFNAMR-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2307746311	CSZGRMKHXCPCNB-XUWVNRHRSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H]1C(C)=CCC[C@H]1C	2307926815	RGAAHMJBIIQVOY-QXSJWSMHSA-N	237.431	4.523	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CC[C@@]23CCC[C@@H]2C3)C1	2310380222	QWUYWRGUQGMCGS-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)[C@@H]1C[C@H]1C1CCCCCC1	2311536600	WPENSGQWLJGKIF-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C(CC1CC1)CC1CC1	2313596154	GKSHZORZAFSQNJ-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1ccccc1CC(C)C	2316535145	FMHJCGIUAVIZDP-QGZVFWFLSA-N	245.410	4.631	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316744278	MQUKPDMCKAHUJO-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@H]1CCC12CCC2	2316886978	UBSALKXLWILYKG-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)cc1C(=O)C[C@H]1CCC(C)(C)C1	2319115222	JZQXFKKFPJCNPO-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC(=C[C@@H]1CC[C@H]1C(C)(C)C)c1ccc(N)cc1	2320310243	IEXDKTHNQCTTLM-GOEBONIOSA-N	243.394	4.744	0	10	BJAE	
CC1=C(C)C[C@H](NC[C@H]2CCC=CCCC2)CC1	2320373168	OUJCWJRJHLPDQU-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2C[C@H](C)CC[C@@H]2CN)CC1	2320389565	BEZFJDVQXNWJRW-YYQUZTFQSA-N	249.442	4.524	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CC[C@@H]3CCC[C@@H]3N2)C1	2321645178	LRXZKQKPQKYPGM-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CC[C@H]3CCC[C@H]3N2)C1	2321645179	LRXZKQKPQKYPGM-ZJIFWQFVSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@]2(O)CCC[C@H](C)C2)c1	2327707572	IGMCSOSUSJRPRK-WMLDXEAASA-N	246.394	4.516	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC23CCC3)c1F	2327804483	QJYZROUHZVQZHI-CQSZACIVSA-N	247.357	4.694	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)[C@@]12C=C[C@@H](CC1)C2	2328281980	LMEKUDVEFVPBMM-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(Sc2ccc(Cl)cc2)cc1	339114	KSYWHJUSVFTXBP-UHFFFAOYSA-N	234.751	4.800	0	10	BJAE	
Cc1ccccc1[C@H](C)NC1CCCCCCC1	21805416	PUIAFBRLVNESDO-HNNXBMFYSA-N	245.410	4.759	0	10	BJAE	
CCCCC[C@H](C)NC1CCC(CCC)CC1	35135709	WUTCHCGIVYNKDX-FHERZECASA-N	239.447	4.904	0	10	BJAE	
C1=CC[C@@H](CNc2ccc3sccc3c2)CC1	36975660	NZDMEPGBDRROSM-GFCCVEGCSA-N	243.375	4.670	0	10	BJAE	
C[C@@H](Nc1ccc(C(C)(C)C)cc1)C1(C)CC1	37467655	GVPAFEIXRFJLGG-GFCCVEGCSA-N	231.383	4.585	0	10	BJAE	
CC(C)(C(=O)CC1CCCCC1)c1ccccc1	62772818	GINHIWQVZVSWED-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C)c1ccc(NC(=N)C2CCCC2)cc1	62988531	NJMUVUZPBBROMS-UHFFFAOYSA-N	244.382	4.563	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1C[C@H](C)CCC1=O	71083859	PYRJCINRTYRCBL-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CCC(C)(C)C)C1	71083867	BPLCJPHWFNSGPN-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CNc1ccc(-c2ccc(C(C)C)cc2)cc1	84016563	SWAKIWLZENRECI-UHFFFAOYSA-N	225.335	4.519	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@@H](C)CNC(C)(C)C	84129302	BNTBIQGPLFBDPP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)CC1(O)CCC(C(C)(C)CC)CC1	87163941	QZAUYHVOXHZETA-VQCLRJIVSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@H](O)CC2(C)C	94270658	IHVMHFWIJCCYET-OAHLLOKOSA-N	246.394	4.648	0	10	BJAE	
CCCCC[C@H](C)NCc1ccc(C2CC2)cc1	94518358	MMXAIKXFCLHNFV-AWEZNQCLSA-N	245.410	4.622	0	10	BJAE	
CCCCCCC(=O)c1c(C)[nH]c2ccccc12	97467641	CNJAEIZVYYHDGU-UHFFFAOYSA-N	243.350	4.629	0	10	BJAE	
CCc1ccc([C@@H](C[C@@H](C)C(C)(C)C)NC)cc1	111647813	WTOUISAATILJFH-CZUORRHYSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@H](CCC)c1ccc(CC)c(CC)c1	128020511	ZUSXEOHIKGPMKA-QGZVFWFLSA-N	247.426	4.652	0	10	BJAE	
c1ccc(-c2cc3ccccc3n2CC2CC2)cc1	128470058	ZBKUYURUSBECTQ-UHFFFAOYSA-N	247.341	4.718	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](C)CCNC(C)(C)C)C1	132695582	LPFTVWKQJZBZIP-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(N[C@@H]2CCC(C)(C)C[C@@H]2C)c1	155829921	OQBVOIXZQFPUFQ-XJKSGUPXSA-N	245.410	4.876	0	10	BJAE	
CCCN[C@@H](c1ccccc1C(C)(C)C)C(C)C	166643272	XVWMDWVMUGCPMR-MRXNPFEDSA-N	247.426	4.681	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)C1CCCCC1	167014280	CYTCHBGEFYVRLZ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)N(CC1CCCCC1)C1CCCCC1	201984903	CBZGSJIYQAKFHK-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccccc1C	210548139	GSDVQHGTPRDAIO-CQSZACIVSA-N	217.356	4.542	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCC[C@H](C)[C@H]2C)c1	227002914	DVIYYVKFUUBYCY-LZWOXQAQSA-N	231.383	4.540	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@@H]1CC)C(C)(C)CC	229334529	PODYZDAZRDQZGZ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H]1CCC[C@@H](C)C1	233542618	VURGWTQFVPFNDI-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC(C)C)C1(C)CCCCC1	233591895	WFZYMOACUIQZIA-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC1(C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCCC1	253176634	AGRVVBZSEHFLNF-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CC(=O)c1ccc(C(C)C)c(-c2ccccc2)c1	258221348	JQEJDLLSFKSREQ-UHFFFAOYSA-N	238.330	4.680	0	10	BJAE	
CCCN[C@@H]([C@H]1CCCC1(C)C)[C@H](C)CCC	300469930	UCLZRMDXFJMCCU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@H](C)CC(C)C	304330514	AILLMICPCMHHJF-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](C)CCC(C)(C)C	304428067	SAMGZNPKRBATKB-STQMWFEESA-N	227.436	4.616	0	10	BJAE	
CC[C@](CN)(CCCC(C)(C)C)c1ccccc1	305931713	OXGZLSCISYNDLI-QGZVFWFLSA-N	247.426	4.510	0	10	BJAE	
Fc1cc(C(F)F)c2c(Cl)csc2c1	306693796	UDSQHYBPKLXMEC-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
Cc1ccc2cc(Cl)sc2c1C(F)F	307037345	DUKXCQZVNGHPEK-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
Cc1ccc(N[C@H](C)CCC(C)(C)C)c(C)c1	310293382	KIEPWFCPTLXOMV-CQSZACIVSA-N	233.399	4.930	0	10	BJAE	
C[C@H](C[C@]1(O)CCC(C)(C)C1)C1CCCCC1	310375347	ZMNUKDGKZJKHPE-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC[C@H](C)C1CCCCC1)NCC	310475597	KBHYSJWGVVONDV-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(NC[C@H](C)C2CCCCC2)cc1	310499633	QQFOTLCHCFYRPK-AWEZNQCLSA-N	231.383	4.623	0	10	BJAE	
Cc1ccc2c(ccn2C[C@H]2CCC[C@@H](C)C2)c1	310786809	SZAVYPLRYKTQDC-HIFRSBDPSA-N	241.378	4.776	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)c1cccc(C)c1	311076741	VXNFFSGMOKTOFW-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NCC)[C@@H](C)C(C)C	319495807	FLWXSEDHGNIMJT-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CN[C@@H](CC/C=C\c1ccccc1)CC(C)(C)C	324299318	QDTXKVAAVITFCA-LJEUOOAZSA-N	245.410	4.504	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CN[C@H]1CCCC12CCCC2	328096264	JXLRUQHQIHAEOP-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC2=CCCCC2)CC1	379581603	MFBKEZKVJZEMIZ-WBVHZDCISA-N	249.442	4.825	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CCC[C@H](C)C1)NCC	380094924	VVKRDWWBOJYVPL-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(N[C@H]2CC3CCC2CC3)c1Cl	381940303	VSWGMJQXECZPIS-YIZWMMSDSA-N	249.785	4.639	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)c1cccc(C)c1	383138708	FBYWBBRYMFKXCQ-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCCC[C@H]1C	383188752	OKOWSDKANPFEDJ-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CC1(c2cccc3ccccc23)CCCC1	383450649	CCJNEZNYGQKVOU-UHFFFAOYSA-N	210.320	4.672	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CC2(C)CCCC2)C1	383620538	VBRHGLAKHZSAOS-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@@H](C)CC	385686928	JIZDGOTWTQQFFI-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
Cc1cccc([C@@H](N)CCC2=CCCCC2)c1C	385905973	PXLTZHUXFKMPAE-KRWDZBQOSA-N	243.394	4.584	0	10	BJAE	
CC(C)C[C@H](C)/C=C1\CCC[C@@H]1[C@H]1CCCCN1	386279517	NSMRFZKRXKIUKB-AOSMSEJGSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H]1NC(CC(C)C)CC(C)C	388586341	IGUUGYMFWMXKCS-GOEBONIOSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1ccc(C)cc1C	395117610	HSRZAVYCEZNJEV-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
C1CCC(CC[C@@H]2NC[C@@H]2C2CCCCC2)CC1	395230901	VTQOQEBWMPEBDD-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCC[C@](O)(C1=CCCCCCC1)C(C)(C)C	395447560	YFNARBQFADQHNG-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CCc1cc(C)cc2scc(C(F)F)c12	396214323	FCMZLWHZBMUYPA-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)[C@H]1CC1(C)C	397809240	HUXSJMFICOTAIX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](c1cc(C)c(C)cc1C)[C@@H](C)C(C)(C)C	399259861	LDDSYDNLMBWVEM-GDBMZVCRSA-N	247.426	4.555	0	10	BJAE	
FC(F)(F)c1ccc(CCC2=CCCC2)cc1	401136445	ZBLNKIGFBIRGIS-UHFFFAOYSA-N	240.268	4.748	0	10	BJAE	
CCCCCC[C@](C)(CNCC)c1ccccc1	405703413	ZRTCEIUZMUTUES-QGZVFWFLSA-N	247.426	4.524	0	10	BJAE	
C1CC[C@H]([C@H]2CCC[C@H]2CCCC2CCC2)NC1	688398386	LZSNTFVTIIZTSA-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)c2cccc(C(C)C)c2)C1	688939193	XIJSUOCZYZWAAY-CJNGLKHVSA-N	244.378	4.819	0	10	BJAE	
CC[C@H](CCC1CC=CC1)CC(F)(F)F	692134523	HQLCTBYQFKPETP-SNVBAGLBSA-N	220.278	4.711	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@]12CCCC[C@@H]1C2	693197398	KIQMJRYZVJDTOF-DYVFJYSZSA-N	242.362	4.573	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCC23CCCC3)c1	694421994	ZQVNAWXVMFULEX-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
CCC(C)(C)CCC(C)(C)CNC(C)(C)C	696805060	FRIJFCVTDOBPHV-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@@H](C)CC	697769785	PQAAWMWDQVSNTB-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CC(C)CCCCC[C@@]1(CNC(C)C)C[C@@H]1C	703336950	PVUHZBPJBBHHSW-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@](C)(N)[C@H]2CC3CCC2CC3)CCCC1	704506505	GKVAVSPTMZFCAX-UMPYDWHISA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CCCC(C)(C)C	704959841	XMSQJEJXDQENII-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCCC23CCCC3)CC1	707764863	CQCHVHOTNYSIHW-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC([C@H](N)[C@@H](C)CC(C)(C)C)CC1	708316154	YIXYLNZMTPRYSM-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C[C@@H](O)C(C)(C)C1CCC1)CC(C)(C)C	709170759	XESRVMJDZIVLIG-GXTWGEPZSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C(C)(C)CC)c1ccccc1	710033966	GPUGWGCWVCAWCV-GOEBONIOSA-N	247.426	4.942	0	10	BJAE	
CC[C@H](N[C@@H](C)CC1CCC1)c1cccc(C)c1	710196296	OESQNGXVBMDAIA-YOEHRIQHSA-N	245.410	4.614	0	10	BJAE	
Cc1cc(NCc2ccccc2C2CC2)cs1	710705710	MXGKULIOUIFYCM-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CC[C@H](C[C@@H](NC)C(C)(CC)CC)C(C)(C)C	711213670	OQFYFZMGYRDIKB-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)C[C@@H](CNC(C)C)C1CCCCC1	711317640	CJXVWVXBKVMXPO-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(O)C[C@@H](C)CC(C)(C)C1	713148207	YVSPXZNLHNUHND-XJKSGUPXSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1coc2ccccc12	713330840	BEVXHRMGTHBCRV-UHFFFAOYSA-N	244.334	4.688	0	10	BJAE	
C=C/C=C\CCc1ccccc1C1CCC1	713754908	XSSRNECJJUVRPD-ARJAWSKDSA-N	212.336	4.629	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CC[C@@H]2C[C@H]12)C1CCCCC1	716836784	VBARQZGBRNHGMC-DUFGSWQCSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CCC1CCCC1	719196682	DWMFTLAXLCOIAW-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C1(C)CCC1	720786052	HGVATAVMEKZRRF-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC1CCCCC1)Nc1ccccc1	720991003	ZVMDQUAEKWUADU-OAHLLOKOSA-N	231.383	4.848	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H]2CCNC23CCCCC3)C1	721032008	AOAPNOVQIXKNCA-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(OC(C)(C)C)c(CC2CC2)c1	725446626	OFYOSYPSGAJZCC-UHFFFAOYSA-N	246.394	4.940	0	10	BJAE	
CC[C@H]1CCC[C@H](NC(C(C)C)C(C)C)CC1	1621567701	QYTPHOPVGDVCAG-GJZGRUSLSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CNC1CCC2(CCC2)CC1	1655473504	CAXAFABUKWYHPR-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)N(C)Cc1ccccc1C(C)C	1875781658	JXZRFKQGDASKQA-OAHLLOKOSA-N	247.426	4.676	0	10	BJAE	
CCC(C)=CCc1cccc(C2(C)CC2)c1	1900828047	WDCNAFREDFJWSX-UHFFFAOYSA-N	214.352	4.637	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1(CCC)CCC1	1905435376	QKUITHDTGWBHSS-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](CC(C)C)NCC	1905455112	XTZVKDQQHDNVJT-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CCC1CCCCC1	1908536008	WTZXKUIGEDHLMW-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCCNCC(=C[C@H](C)C1CCCCC1)CC	1911958103	CJICJOBGLBKSGM-AWEZNQCLSA-N	237.431	4.539	0	10	BJAE	
Cc1sccc1C(=O)C1CC2(CCCCC2)C1	1912627917	FFXHSSUGBPSBAB-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CCC2(CCCCC2)C1	1915854996	MXEHPCDNDFHFGQ-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1C[C@H]2CC[C@H]1C2	1920182308	IUNYXJHBTFDXBB-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)C(=O)CC[C@@H]1CC1(C)C	1921417999	OSBKJMMWZUWEFH-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)CC1CCC=CCC1	1924120783	BMUABAHIVPRYIC-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc2nc([C@H](C)C3CCCCC3)[nH]c2c1	1924122518	UAYKXOOMTDQBIY-GFCCVEGCSA-N	242.366	4.555	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@H]2C=CCCCC2)c1	1925764815	FFWZHCRMOBWZIF-HNNXBMFYSA-N	242.362	4.623	0	10	BJAE	
CC(C)(CC[C@@H]1C=CCCCC1)C(F)F	1925878365	AIPAMYPPMGVBHZ-LLVKDONJSA-N	216.315	4.804	0	10	BJAE	
CC[C@@H](C(=O)c1cc(Cl)sc1C)C(C)C	1933564990	FANWLSHWTCIUSE-SECBINFHSA-N	244.787	4.575	0	10	BJAE	
CC(C)CCCCCC[C@H](CN)CC(C)C	1938137621	BDCNHNGAMFKWLL-HNNXBMFYSA-N	227.436	4.604	0	10	BJAE	
Cc1cscc1C(=O)[C@@H](CC(C)C)C(C)C	1938811596	OJLIBLPZYKVZEK-LBPRGKRZSA-N	238.396	4.558	0	10	BJAE	
CC(C)c1cccc(Oc2cc(Cl)ccn2)c1	1940366805	HQJGXDUNMNFJFA-UHFFFAOYSA-N	247.725	4.651	0	10	BJAE	
CC(C)CNC[C@H](C)CCC1(C)CCCCC1	1940406811	HKDVQFMOQRHRDI-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)CC(C)(C)CC	1940676687	RJWZXVFFUCJBDB-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@H](C)C(C)(C)C	1940794167	AWQFERLTKDOHJE-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)CC(C)(C)F	1940807068	GBAWGARLQUPEQZ-OAHLLOKOSA-N	245.426	4.711	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(O)CCCC1(C)CC1	1940875834	JTBYNVQJCKONGC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CC1CCC(C)(C)CC1	1941252741	QVNGLCXVRZKRKC-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C(=O)C1CCC(C)CC1)C(C)C	1941263942	GYJURLWSVPNLOV-NRXISQOPSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CCC(C)(C)C[C@@H]1C	1941358055	YKEMAUZBVWVGKI-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC1CCC=CCC1	1941794130	RIGMXFPZJLOSRR-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccc(C2CC2)cc1	1941960648	QGRNKRGHMZCKKH-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CCCC[C@H](CC)C[C@](F)(CNC)C(C)(C)C	1944394293	AFHDDEGCFQMZAN-ZFWWWQNUSA-N	245.426	4.567	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C[C@H](C)C1CC1	1944516370	BUECYEGLPVLQOX-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@H]1CCCCC1(C)C	1944791014	QPSWGFHBQGANFU-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@](C)(N)C1CCCCC1	1949056545	XOSNHCXENRRZTK-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
c1cc(N[C@H]2CCC23CCC3)c2sccc2c1	1949317808	CHKVMRVFNHMFKI-ZDUSSCGKSA-N	243.375	4.646	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@@H]1CCC(C)(C)C1)C(C)C	1949501831	PTJHSKRFDVFGDL-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C[C@H](N)CC1CCCCC1	1949907337	MOTFMDCUVUZRCU-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@]1(CNC)CC12CCCCC2	1950601510	IBISFXZIHRNWHK-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C1(CC)CCC1	1951238769	MFVYECZDFBZDPB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC=CC[C@@H](C)c1cc(C)cc(C)c1OC	1951308130	AGTFIBWAHUUZMK-CYBMUJFWSA-N	232.367	4.772	0	10	BJAE	
C1CC[C@H]2C[C@H](NCCCC3CCC3)C[C@H]2CC1	1965995936	IVBXJDQZSYRAPE-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
C(CCN[C@@H]1CCCCC12CCC2)CCC1CC1	1966434660	PHALUIDHDSBBSS-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]2CC(C)C)cc1C	1968254488	IFRFEABXAXYAAP-GDBMZVCRSA-N	231.383	4.540	0	10	BJAE	
C1CCC2(CC1)CCC[C@@H](NCCC1CCC1)C2	1969804139	CGTORDCEMQRGMR-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
Cc1cccc(N[C@H](C)C2(C)CCC2)c1Cl	1969846062	CLSWARBUGAKTCX-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCC(C)(C)C[C@@H]1C	1973163969	MPWPDZGSVDLZIM-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCC(=O)[C@H](CCC)CC(C)C	1984576292	YTWBSASAPSBECK-CQSZACIVSA-N	224.388	4.764	0	10	BJAE	
C/C=C/CCCC(=O)c1cccc(C)c1Cl	1984589504	QQSCKDYJCAMRBJ-ONEGZZNKSA-N	236.742	4.578	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCC=C(C)C	1995262653	OZAZNKTVIDMDJG-GJZGRUSLSA-N	225.420	4.667	0	10	BJAE	
CCC(C)(C)c1nc(C2CCCCC2)cs1	1995497196	XHZODBFRTRFIHU-UHFFFAOYSA-N	237.412	4.878	0	10	BJAE	
C[C@H](CN(C)C1(C)CCCCC1)CC(C)(C)C	1995763176	WNBKLABKKQJDSN-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
C[C@@H](N[C@H](C)C1(C)CCCCC1)C1CCCC1	1995991856	SJTYHEQGGNXQRK-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CC[C@H](CC(C)(C)CCNC(C)(C)C)C1	1996247000	DJLQRLREGDLIGX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC2(C)CCC2)CC1	1997109651	QNOGLECPAPFXBV-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CC1CC(C(C)(C)C)C1	1998238950	GKJCVOHUHCHYPP-ZUEPYMLJSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(O)C1CC(C)(C)C1	1998654617	LQTVODUYFXLICT-MLGOLLRUSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@@H]2CCC=CCCC2)s1	1999979969	WZFXMYWHXOIUSN-KGLIPLIRSA-N	249.423	4.583	0	10	BJAE	
CC1(C(=O)CC[C@@H]2CC2(C)C)CCCCCC1	2000213889	QVOBOLOCYDVOMC-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@@H]1CC1(C)C	2000504705	KKXQWAATMLTJJB-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(C[C@@H]1CC12CCCCC2)C(C)(C)C	2001262680	PIFILBBPSFGRAI-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC1CC(C(C)C)C1)NCCC	2002305506	NSWWVRBAYRPRCE-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC(=O)C[C@@]1(C)CCCCC1(F)F	2002595431	QMVMQCUVNLOMOR-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCCC(C)(C)C1)C1CCC1	2002991758	VTRZWWGVCISDRV-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H]2CCCCCCCC2=O)C1	2003070282	KOUZPNIHWMPEDZ-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
N[C@@H]1CCCCCC[C@H]1CCC1CCCCC1	2003097202	DSBARNBWQMCGEL-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC[C@H]1NC1CCCCCCCC1	2003097734	CEFQIEXAFPFOHY-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
CCN[C@H]1CCCCCC[C@H]1CC(C)(C)CC	2003119838	WWEXJWYBYBPXNJ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@]1(C)C=CCCC1	2003327420	VKGPKENSLMUDBU-GDBMZVCRSA-N	236.399	4.908	0	10	BJAE	
CCCC(CCC)CNC1CC2(CCCC2)C1	2004710492	AFLLEPGIJJHKCQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(CNc2ccccc2)CCCCCCC1	2004916518	MIFMRVVAWFGTHL-UHFFFAOYSA-N	231.383	4.849	0	10	BJAE	
CC[C@@H](C)[C@H](C)NCC1(C)CCCCCCC1	2004936802	FPHPLYVLXQXDQO-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@]1(CO)CCCC[C@@H]1C	2005581529	ZBZNDOWZSDWLKC-JKSUJKDBSA-N	240.431	4.782	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@H](N)C1(C)CCCCCCC1	2006765756	UPJIXDNKAFVLLR-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCC(C)=C(C)C)CC[C@@H]1C	2006955683	CEDAZZGBZSBRCG-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CCC[C@@H]1C(C)C	2007660701	VDIWSXGUGLGEEQ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCCCCC(C)C)C(F)F	2008307641	ISYPIKJHWKVHBL-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC[C@H]1[C@@H](NC)CC[C@H]1CCCCCC(C)C	2009249725	RXDKSQPFBKGDBQ-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCCCC2)[C@H](O)CC1	2009408594	VFVZWZGEHHJYLX-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@]1(N)CCCC[C@H]1C(C)(C)C	2009569930	VBPTZICGGWDDGC-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O	2009589742	NXYSDSQKECDWLT-IXSFSPNOSA-N	238.415	4.556	0	10	BJAE	
C/C=C/CCCC1(CNC(C)(C)C)CC(C)C1	2009628695	OGOCIGFQOVZRGT-VOTSOKGWSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@H](CC)C(C)(C)C)NC	2009635131	LJSTYGDENKSKAX-LADOHOGBSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C1=CC[C@H](CC)CC1	2010716075	LXRXQBHWHOXZRN-DZKIICNBSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@H](C)CC	2010716852	XJFASMOVTZQCFY-YCPHGPKFSA-N	237.431	4.537	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@H](CC)CC(C)C	2010994345	FKCOYYBLMMRMCT-HZPDHXFCSA-N	237.431	4.548	0	10	BJAE	
CCC[C@](N)(CCC[C@H]1C[C@@H]1C)C1CCCC1	2011581104	OKPJOUGKCDRSJZ-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](CNC)(C[C@@H](C)CC(C)(C)C)C(C)C	2012422169	TTWPLUQLZNJJGG-HOCLYGCPSA-N	241.463	4.721	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC12CCC(CC1)CC2	2012824615	SMMPEVONPVXSCL-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C1(O)CCC2(CCCCCC2)CC1	2013203297	VDXBPOIOVOGERZ-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
C[C@H](CN(C)[C@H](C)C1(C)CCCC1)C(C)(C)C	2014396438	UWVTWIMHHZETND-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](C)[C@H](CC(C(C)C)C(C)C)NCC	2015279269	VVRBREFUFPUNDX-ZBFHGGJFSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCC[C@@H](C)C2)CCC1	2015589640	XVNPKPBWNAMQNR-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H]2CCC[C@H](C(C)C)N2)CCC1	2015647039	DDLWNWNVCUPOJK-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CNC(C)(C)C1CCCCC1)C(C)C	2016112648	PZSCXXCYEXDSAX-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC1CC(C(C)(C)C)C1	2016143421	FJIKLXXZDSLYQX-WLYUNCDWSA-N	237.431	4.536	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@@H]1CCCCCCCC[C@H]1O	2016312825	PMRFRMFWELPIKB-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](N)CC1(C(C)(C)C)CCC1	2017143790	QUAYDMWZKFCBQY-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)[C@@H](CC1(C(C)(C)C)CCC1)NC	2017145282	ZEZDQKLZBCPWKD-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@](C)(N)C2(C)CC2)CC1	2017728289	JXPLQHJZKVSMBQ-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
C[C@H](CN[C@@]1(C)CCC(C)(C)C1)CC(C)(C)C	2017907538	KAZXJTVMYBUDQI-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1C=CCCCCC1	2018079992	CEVCROFJFYBJAI-HOTGVXAUSA-N	237.431	4.824	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCC[C@H]1C[C@H]1C	2018181600	AGKJMOURVXRNLL-PMPSAXMXSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCN(CC(C)C)C1CCCCC1	2020537902	UERGNVFMIOSYSA-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(N)CCCCCC1(C)C	2022563816	SMWVERAJTFSEPT-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1ccc(CC(C)C)cc1	2028252907	RTDLBQCVXFLEMM-IRXDYDNUSA-N	247.426	4.567	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NC)c1ccc(CC)cc1	2028265063	QTAMQRBOQCXQOB-IRXDYDNUSA-N	247.426	4.582	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)[C@]1(C)CC1(C)C	2028897249	KHEYNKZJJIWGSE-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](c1ccccc1C)[C@H](C)CCC(C)C	2029836202	JPPHWDHMGRNCPT-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)c1cc2ccccc2o1	2029838443	SEQVATGDWYQBRD-WBMJQRKESA-N	245.366	4.505	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@]1(C)C=CCCC1	2030350686	BZDLVKCXARYBSX-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1(CC(=O)[C@@]23CCCC[C@H]2CCC3)CCCC1	2031851930	OMHBEQRNBLYZFB-WMLDXEAASA-N	248.410	4.886	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@H](C)C1CC1	2032152541	LBLNLZYGQHKQRJ-ZDUSSCGKSA-N	245.410	4.578	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)[C@H]1[C@@H](C3)C1(C)C	2032440832	QEKQZPYIPFCSOX-MLGOLLRUSA-N	239.362	4.587	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@@H]2CCCC[C@H]21)C1CCCCC1	2034260042	CSWROQVQSZSEBF-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1CCC([C@@H](N)C[C@@H]2C=CCCC2)CC1	2035596882	APGUMQMPALOITH-VXLLPVPCSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](C[C@H]2C=CCCC2)NC)C1	2035599820	JWRSKGBJMOZKRP-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCNCC1(CCC2CCCCC2)CC2(CC2)C1	2036191789	URTFMDWYLJTRGN-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1ccc(C2CC2)cc1	2037210301	WQUYDRZNUKOBOI-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
C=CC=CCC[C@@H](CC1CC(C)(C)C1)NCCC	2037971772	FOTVSHXBHLPCLZ-INIZCTEOSA-N	249.442	4.703	0	10	BJAE	
CC1(C)CCC(CC(=O)CC2C[C@H]3C[C@@H]3C2)CC1	2038327421	MILWWLFPVDOUBS-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccccc1C1(C)CC1	2038362453	GPNDFLVLBUMJRH-AWEZNQCLSA-N	243.394	4.729	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(N)CC3(CC(C)(C)C3)C2)C1	2039461067	ZEQDCIXAXVKJOW-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1CC2(CC2)C1)C1(CC)CCC1	2039721863	JTOGXHSBIJOKSF-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](CC2(CNC(C)(C)C)CC=CC2)C1	2040170929	APVLYJGUNSKJDC-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@H]1CC12CCCC2)C1CCC(C)(C)CC1	2040638160	IXPVALDMVWADBI-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(F)cc1OC[C@H]1CCC=CCCC1	2045315783	XNDAJMYZAYKUIY-AWEZNQCLSA-N	248.341	4.649	0	10	BJAE	
CCN[C@@H](CCC[C@H]1CCC=CCCC1)C1CC1	2045325827	IQMCWVRILGHSQG-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H]1C1(CNC2CCC2)CCCCC1	2046214157	KQRBCXLDPCMLKL-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@H]1[C@H]2CCCCC[C@H]21	2048447391	VKSNPRSFRBEEBJ-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](C)NC[C@H]2CC=CCC2)CC1	2049418304	PMVAXJUGNMKRTD-GYXIZQIFSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)c1	2049540508	OMLJVBCRKXPHOY-MRVWCRGKSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2CCC3(CC3)C2)CC1	2049848203	HSKQTKSBBUZFBC-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2CCC3(CC3)C2)CC1	2049848636	KNEYJSWULOTYBT-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C(C)(CC)CC)[C@@]12C=C[C@@H](CC1)C2	2049993376	WBYNOLYWVNEEGM-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CC=CC1)C1(C)CCCCCCC1	2052477205	DPPRVAYICANSIL-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC1(C[C@H](N)[C@H]2CCCCC23CCC3)CCC1	2053411244	IYVAUHZUCCHAFG-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC1CCC(C)(CN[C@@H]2CCCC3(CC3)C2)CC1	2056533668	GGRSGNNUNXVINU-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)C1(C)CCC(C)CC1	2056880002	YIXHTWXUGRRKFQ-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
C/C=C/C[C@]1(CNC(C)(C)C)CCCCC12CC2	2057065154	ZEPDTZNAPBHKOL-FUTAKVPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2CC3(CCC3)C2)CC1	2059002694	HHPXAQUFHDBICB-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@H](CC12CCC(CC1)C2)NCC	2059253067	NPKHFIAOUMAXSY-LWUFZGFSSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2061601749	JKPOXKKABIFPGE-WBTNSWJXSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc2oc(CC3CC(=C4CC4)C3)cc2c1	2061717957	FBCMYZVHNZJTSI-UHFFFAOYSA-N	238.330	4.784	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC1CC(=C2CCC2)C1	2061722556	KXDDLBWOZNQUBQ-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CC(C)c1ccc(C(=O)CCC[C@H]2C[C@@H]2C)cc1	2062624920	MMFBWERAFSLKPQ-BBRMVZONSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@H](CCCC[C@H]1C[C@@H]1C)c1ccco1	2062642219	OHSLBFZKZCHSGI-SOUVJXGZSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C[C@H]1CC12CCC2	2069196045	FGNVZZQWETYGSW-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNC2CC2)CCCC[C@@H]1C	2072407106	CXHMUBCFOHKPLD-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CC=C1CCNC2(CCCCC2)C1	2074141748	MWYXWRVOYYKISR-UHFFFAOYSA-N	247.426	4.746	0	10	BJAE	
CCCC1(C[C@@H](N)C2(C)CCC3(CC3)CC2)CC1	2074650051	ZSXZWXPOWKHZID-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@H](CN2CCCCC23CCCC3)CC1	2075307631	QWJKWFFHUCZEGB-WKILWMFISA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@H](CC2CC(=C3CCC3)C2)C1=O	2076444017	UGJNVJOCSREKEA-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2C[C@H]2C(C)(C)C)c(C)c1	2079844350	UZZHUSMNMMCNPS-DZGCQCFKSA-N	244.378	4.558	0	10	BJAE	
CC1(C)CC(CC(=O)[C@]23CC[C@@H]2C3)CC(C)(C)C1	2082986479	MMPBHYMTSLLOIW-DYVFJYSZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C(C)(C)CCC	2212116259	FWNNRVPKRFBROL-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(O)CCCCC2CC2)C1	2214569690	OMTUXRGKNFUVMM-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
O[C@H](CCCCC1CC1)CCC1CCCCC1	2214570951	UDBGBNDQCAGGMQ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CCC(C)C)C1CCCC1	2217156269	JTYFYZMXYOAMIW-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](NCC2CCC=CCC2)C1	2218037533	QWFGTPBWFUAWNO-WKILWMFISA-N	249.442	4.537	0	10	BJAE	
CN(CCCCCCC1CC1)[C@@H]1CCCC12CC2	2218732163	QGGBAHSZDWRSKM-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(F)c(CC=Cc2ccccc2)c(F)c1	2219074201	OYTGQUOZVJTBKB-UHFFFAOYSA-N	244.284	4.529	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC1(C)CC2(CCC2)C1	2221028948	VLOHMIPLKBVEPG-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@H]1C)[C@@]1(C)CC=C(C)CC1	2221627853	BOKYTTGDROQHTR-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](N[C@@H]1CC=C(C)CC1)c1cccc(C)c1	2221660576	BMGBGWXPWYSEPX-IAGOWNOFSA-N	243.394	4.535	0	10	BJAE	
C1CCN[C@H](C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	2222933295	KVUQIXQROLROKW-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CCC2(C)C)C=CCCC1	2223574824	XAXHGPJZCCIBST-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)CC(C)(C)C(C)C)cc1	2223964646	WYFUSUKMGFIMAE-CQSZACIVSA-N	246.394	4.740	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@@H]1CCC[C@H](C)C1)N2	2224126412	XEJIKPBFXBXUMF-DXCKQFNASA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@](C)(N)C2(C)CCC2)C1	2246723747	ASGUVXCGESYIMS-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCCN(CCCC)CCCC[C@H]1C[C@H]1C	2247160105	RKAJBUUWMIQRBA-CVEARBPZSA-N	239.447	4.715	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cc(C)c(C)c(C)c1	2249487304	RRBAVYSPBHFXHZ-AWEZNQCLSA-N	233.399	4.848	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@H]1CCCC2(CC2)C1	2250351119	AEDMFWFCOFSDNU-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
O=C(CC[C@]12CCCC[C@@H]1CC2)c1cccs1	2251146987	WBXLIEFADCMFHG-IUODEOHRSA-N	248.391	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CCC1CC(C)C1	2251770340	HJAUKCTUAJXZES-WUCCLRPBSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)CC[C@@H]1CCCCC12CC2	2253792194	KCUYCGYUAWAJJE-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CN[C@@H]1CCCC[C@@H]1CC[C@H]1CCCCC12CC2	2253821839	MCBSJJSWWHCOIA-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
O=C(CC[C@@H]1CCCCC12CC2)[C@@H]1C=CCCC1	2253856456	QTFBLKWZHYXPAQ-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
CC1CC2(C1)CC(N)(C[C@@H]1CCCC(C)(C)C1)C2	2254148393	LUQWGHPDSRXMKZ-FBZFNHGYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)C(C1CCC1)C1CCC1	2255017185	LNUWKOYIDSMXHA-AWEZNQCLSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(N)CC1=CCCCC1	2255092500	UURUNDVFTMURCE-DJIMGWMZSA-N	249.442	4.667	0	10	BJAE	
CC(=CCCCC[C@@H]1C[C@@H]1C)C[C@@H]1CCCCN1	2257238493	DIPROYOGVHDJGZ-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC(Nc2cccc(C(C)(C)C)c2)C1	2257908141	UYLFSGPHMYPLEA-UHFFFAOYSA-N	245.410	4.975	0	10	BJAE	
CC1(C)CC[C@H](C[C@]23CCCC[C@@H]2CC3)C(=O)C1	2260654995	BBQZYMBHHLYLKV-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](NCCC2CC=CC2)C1	2261401911	JPLUSCFDCVBJIO-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CCCCC[C@H]1C[C@H]1C	2298507118	YDLCZQKXMJCJKJ-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CCCC1CC(CN(C)CCC(CC)CC)C1	2300685008	ZYLZHVOEVPJIPS-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1CCC(C)(C)CC1	2300690515	JUTZJBNQZQZDPO-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CCNC[C@]1(CCC(CC)CC)CCC[C@H]1C	2300702338	WLJXTCZPUBDBIL-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCCCC(F)(F)C1	2300927060	RIGBSHGIQFXCRU-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@@H]1CC[C@@H]1C1CC1	2303061283	XPJGVQAQQNCFQP-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
Clc1ccccc1NCC[C@H]1CC[C@@H]1C1CC1	2303159886	SAYBYWNMWKAQIQ-CHWSQXEVSA-N	249.785	4.578	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303486815	HPHGTBSCBPTOKO-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC[C@H]1CCC(C)=C(C)C1	2303597587	RQFLESVVZZBLJW-RCBQFDQVSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cccc(C(C)C)c1	2303708680	QWOHMNCUKZKQIZ-QWHCGFSZSA-N	232.367	4.675	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H]2CCC(C)(C)C2=O)C1	2304447773	RCRXQEUGRWRDBL-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316782638	KRHHGEHPNBKKCA-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C)c1ccc(C2CCC(C)CC2)cc1	2317109449	OTPHRCWZHHOQMH-NPCAHTBFSA-N	245.410	4.651	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@H](C)[C@@H](C)C(C)C)c(C)c1	2317828639	SZQGRZFTTDSIPE-ZMSDIMECSA-N	248.410	4.573	0	10	BJAE	
CC[C@@H]1CC=C([C@H](O)CCC2=CCCCC2)CC1	2317968477	GCKRRPCMLOSZHO-RHSMWYFYSA-N	248.410	4.764	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@@H]1CC12CCCC2	2318567016	CHTLERGIQODXOS-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)CCC[C@H]2C[C@@H]2C)CC1	2318928662	DMROWZVOXDLHND-HDEZJCGLSA-N	249.442	4.523	0	10	BJAE	
N[C@@H](CCC[C@@H]1CC[C@@H]1C1CC1)C1CCCCC1	2319747600	GNGYHWRSVDWEAC-COXVUDFISA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(NC[C@H]2CC[C@H]2C(C)(C)C)cc1	2320239308	CNRPSUSXZBRUNN-GDBMZVCRSA-N	245.410	4.733	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H](CC1CC1)C1CC1	2320523125	JTKDOBDTFOXRAK-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@](C)(O)C2(C)CCC2)c1	2327706376	AHJKJEREPJEWTB-QGZVFWFLSA-N	246.394	4.516	0	10	BJAE	
Cc1ccc2c(c1)NC[C@H](CC1CCCCC1)C2	11633697	YVKYKCJIXQEXLS-OAHLLOKOSA-N	243.394	4.550	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccc(C)c(F)c2)cc1	21058167	UWQRVLKHWBUNGN-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCC[C@@H](NCCC(C)C)c1ccccc1	37199843	BPDJKYDZCQQCRX-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
CC(C)(C)NCc1ccc(C2CCCCC2)cc1	57535289	ZHGBFTNZIALYRC-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
CCCC[C@](CC)(CCC(C)C)CNCC	71127925	FHLOAZVPWNUKCP-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@H](CC)CC(C)(C)CC(C)=O	82816186	PATYZKXZEAWOJA-ZDUSSCGKSA-N	212.377	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCC(C)(C)C)CC1	83520413	JKBIYEXWYJIQQV-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)C(C)C)C1	83828676	HELZTMIRWQTEAE-DJIMGWMZSA-N	245.410	4.552	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC[C@@H](C)C(C)C)CC1	86947492	DBVUQQZLDVYTNX-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)CCC(C)(C)C	87163521	ZPDDOCYCUPPLCW-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](CNCC)c1cccc(C)c1	93125096	CHXOVPLKCYFRJB-QGZVFWFLSA-N	247.426	4.659	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccccc1OCC(C)C	109911406	BMPFNADWYZUDTG-ZIAGYGMSSA-N	249.398	4.568	0	10	BJAE	
CCC[C@@H](C)CNc1ccc(OC(C)C)cc1C	109912238	XBAPSYSKQXDZMB-CYBMUJFWSA-N	249.398	4.630	0	10	BJAE	
CCCCCC[C@@H](CNCC(C)C)CC(C)C	110184249	WJQFSUYHQOIZNH-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C[C@@H](C)CC(C)(C)C	125991356	XTMADIKJWKJMSZ-MJBXVCDLSA-N	227.436	4.602	0	10	BJAE	
CCc1ccc([C@@H](NC)C(CC)CC)cc1CC	127983518	LIWTZMMCHBAUEJ-KRWDZBQOSA-N	247.426	4.508	0	10	BJAE	
Cc1ccccc1NC1CCC2(CCCC2)CC1	129217805	LCTOSNVODSUDTL-UHFFFAOYSA-N	243.394	4.910	0	10	BJAE	
CC(C)C[C@H](C)NC1CCC2(CCCC2)CC1	129253059	NEVWKGNIDUHHPT-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1cc2ccccc2s1	162496967	MXEZDSXVNFUPFM-WCQYABFASA-N	247.407	4.598	0	10	BJAE	
CCCC[C@@H](CC)C/C(C)=C\CCNC1CC1	211823890	RTGMAYSZZIHFOC-CKNOQMABSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](CCC1CCCCC1)[C@H](C)CC	228812607	GJDVOIUGTMRTLX-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H](C)CC1CCC1	229668179	IGDFEGXUHYZUHD-SNVBAGLBSA-N	237.774	4.639	0	10	BJAE	
CCC(CC)C[C@]1(O)CCC[C@H](CC(C)C)C1	230786660	MEPDWPXKWZQNGB-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC([C@H](N)C2(C)CCCCC2)CC1	232923568	VHOFJBNHXLUGLJ-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)c1c[nH]c2ccc(C(C)(C)C)cc12	234024147	HZBWGVUBHAUXCA-NSHDSACASA-N	229.367	4.979	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@H]1CCC[C@@H](CC)C1	252903821	PENMUBXOYNRYNA-UGUYLWEFSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)C1=CCCCCCC1	302391258	NVDACAWMCVTGNC-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@H]2C[C@H]3CC[C@H]2C3)CC1	302410217	PTKCDJBEZTWLPO-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(N[C@H](CCC(C)C)C2CC2)c1	302507193	MLZRUEGUAIVRAA-MRXNPFEDSA-N	231.383	4.622	0	10	BJAE	
CC1(C)CC[C@H](NCC2CCCCCCC2)C1	305906048	FKPYNVFMHRZKSA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(NCC2CCCCCCC2)CCCCC1	305919661	LQEQZGSNSLHKEW-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CN[C@@H](CCCC1CCCCC1)C1CCCC1	310059950	KKHQOWDVJKFPBU-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)NCC/C=C/CCC1CCCCC1	310060270	LWCMJBJXDGMEFB-SNAWJCMRSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCC)C1(CC)CC1	310176344	MKMNWUFKVXWSAT-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CNC)CC1CCC(C)(C)CC1	310471373	BLWWSGWVECCTOO-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@H](C)CNc1ccc(C(C)(C)C)cc1	310528379	YOMKJYLNFAZZMV-CYBMUJFWSA-N	233.399	4.688	0	10	BJAE	
CCCCC[C@@]1(CNC2CC2)CCCC[C@@H]1C	317538410	CXFAKXUOYKCPDE-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC(C)C)CCC[C@@H](C)C1	317706179	HQEWEJSYEQJNTF-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@]1(CNC(C)(C)C)CCCC[C@@H]1C	318809394	XVVOHNFVGPMHJF-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@H](C)[C@H](C)CC	319105792	FWPLFTPRYOLCOY-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CN[C@H](c1ccccc1C(C)(C)C)[C@@H](C)C(C)C	319514037	DRTXDIHMRSJCJZ-BBRMVZONSA-N	247.426	4.537	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@H](C)[C@@H](C)CC	319750545	XLGGFLKUEGKCAZ-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cccc2ccccc12	319965948	DJUOEGLTXKAJCL-STQMWFEESA-N	240.346	4.705	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC[C@H]1CC)C1CCC1	322484000	VAAYHAWQWIKTPV-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)C)CC(C)(C)C	379605256	BDYZCHIRDQLDLI-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@H](O)C[C@@H](C)C1CCCCC1	380169484	WORQELPXLHYZIK-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
C/C(=C\CCNC1CC1)C[C@@H](C)C1CCCCC1	380880634	CERGOEIYYZZBQJ-KEQVLUGWSA-N	249.442	4.681	0	10	BJAE	
CCCNCCC(C)(C)C[C@H]1CCC[C@@H](C)C1	383956711	XAFSDIPIUVWZKH-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@@H](O)c1ccc2ccccc2c1C	384370207	HWUICWSDTVDEFA-YVEFUNNKSA-N	242.362	4.618	0	10	BJAE	
CC1(CNc2cccc3ccsc23)CCC1	386109236	AJOKZHZQXRJEPI-UHFFFAOYSA-N	231.364	4.503	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCC1(C)C)C1CCCC1	387566490	ZTANJXOCWMVUEW-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCCC1(CN[C@H](CC)C2CCCC2)CCC1	391834364	IMOFVYHTBCOPDC-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)CNc1ccccc1Cl	395116813	DUAKQPNIKNTKBY-UHFFFAOYSA-N	239.790	4.968	0	10	BJAE	
C1CCC(CC[C@H]2NC[C@@H]2C2CCCCC2)CC1	395230888	VTQOQEBWMPEBDD-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc([C@@](O)(CCC)C(C)(C)C)cc1	395298455	ITPJJGRULLEATI-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CNC)[C@H](CC2=CCCC2)C1	400651160	QENTZZBQBJMZOL-PVAVHDDUSA-N	249.442	4.539	0	10	BJAE	
CC(C)CNC[C@@]1(CC2=CCCC2)CCC[C@@H]1C	401095996	FGBYDYHMMDTPPR-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1coc2ccccc12	404348703	IEIDLSGDVDYFFO-GFCCVEGCSA-N	244.334	4.688	0	10	BJAE	
Cc1ccc(N[C@@H](C)CC2CCCC2)cc1F	689793838	VFTOAHUZTYHSEN-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
c1cc(NCC2CCCC2)cc(C2CCC2)c1	690107684	CYHPOXYXZKSUON-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H](C)c1ccc(C)o1	691139093	OMDOVIYXNSDXRR-RBSFLKMASA-N	249.398	4.598	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@@H](C)C1CCC1	692679427	RGEATKANJIATRW-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)[C@H](CC(C)C)NCC	695072717	ZOHVHHXUDRXVGF-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
Clc1ccc(N[C@H]2CCCC[C@H]2C2CC2)cc1	696050850	RVGBQTUKCLABIR-GJZGRUSLSA-N	249.785	4.721	0	10	BJAE	
CN[C@@H](CCC=C(C)C)CC1CCCCCC1	697759901	WPVVBXNXGJMGPX-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
N[C@@]1(CCC2CCCC2)CCCC12CCCCC2	704446547	YPMWAWPMSRWPJH-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CN[C@@H](c1cc(C)ccc1C)[C@H](C)CC(C)(C)C	704726666	CEGRNKNLVRDILV-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(N)C1CCCCC1	704857452	GCENLPQHOGRQQZ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCC(N)(CCC)CC1CCC(C)(C)CC1	704921708	MRWYCMWBEUWSNF-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CCC[C@](N)(c1ccc(C(C)C)cc1)C(C)(C)C	704927150	IFMBIDXIGKALTI-KRWDZBQOSA-N	247.426	4.810	0	10	BJAE	
CC1(CNC[C@H]2CCCC23CC3)CCCCCC1	706291572	ACMSOKCJIOIAOM-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
C[C@H](C[C@@H](C)[C@@H](O)c1ccccc1)CC(C)(C)C	709077099	QVMTYDYQHQTJSI-IIAWOOMASA-N	248.410	4.819	0	10	BJAE	
CCCCC[C@@H](NC)c1cccc(C(C)(C)C)c1	709503330	XFZRLJQOWDKQAI-MRXNPFEDSA-N	247.426	4.825	0	10	BJAE	
CCCCCNc1cccc(-c2ccccc2)c1	709728238	NBXASIYYRMIYAA-UHFFFAOYSA-N	239.362	4.956	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCC12CCCCC2)C(C)(C)C	710703676	PZYSCOJISLHRBU-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]21)C1CCCC1	714258595	PGJQKLMWLVYXKQ-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCCC1(CN)CCC=CCC1	718068391	PLUZZNNSJPXPGI-UHFFFAOYSA-N	237.431	4.668	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CC[C@@H]2C[C@@H]2C1	718519636	GERUKZZVDHKPKJ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@@]1(C[C@H](C)CC)CCC=CCCC1	719090081	QRYQXJLHZGEATP-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCCCN[C@@H]1CCCCCC1(C)C	719225237	WDTCTIUVYSOBLS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@H](NCCCCC1CC1)C1CCCCCC1	720171167	LFEUANVPDCYQDH-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1sc(C)c(C(=O)[C@@H](C)CC(C)C)c1C	722678935	WPSGYKMQLWOQJV-VIFPVBQESA-N	238.396	4.538	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC3(CC3)C2)c1Cl	723603188	LJCZGUOEGNEZCJ-LBPRGKRZSA-N	249.785	4.783	0	10	BJAE	
CCCCCC[C@]1(O)CC[C@H]2CCCC[C@@H]2C1	723649059	XYYUILAMOWIBNV-OAGGEKHMSA-N	238.415	4.678	0	10	BJAE	
C[C@H](c1cccs1)N(C)CCC1=CCCCC1	1459312532	FEPNXALRLMCIQQ-CYBMUJFWSA-N	249.423	4.631	0	10	BJAE	
C1=C[C@H](SCc2ccccc2)CCCCC1	1656186778	HOLGWHWWWNDZPJ-HNNXBMFYSA-N	232.392	4.809	0	10	BJAE	
CC1(C)CCC(C)(CNC[C@H]2CC=CCC2)CC1	1656459366	AKBUZEXEUCXPEB-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)C[C@H](C)CC(C)(C)C)C1	1657093689	PUHBDUHZFJFBBO-KFWWJZLASA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCCC(C)(C)CC1	1663164632	BFZDTGABLYBSOB-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@](C)(O)C1(C)CCCCC1	1905605191	MMYVZWBSCKCURZ-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC=C1[C@H]2CCCN[C@H]2C1(C)C	1911890735	WFSFZANQHIFJNK-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
C1CCC2(CC1)CC[C@@H](NCCC1CCCC1)C2	1915863985	BKYBGMXWTDOFRQ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC[C@](O)(C[C@H](C)C(C)(C)C)c1ccc(C)cc1	1919871904	KODHZFDFOLAGRJ-YOEHRIQHSA-N	248.410	4.665	0	10	BJAE	
CCCCCC[C@@](C)(N)c1ccc(Cl)s1	1920177494	MSGBPEUVVQTODD-GFCCVEGCSA-N	245.819	4.546	0	10	BJAE	
CCCCCC[C@](C)(N)C1C[C@@H](C)C[C@H](C)C1	1920183230	SDQHNDAAZGFTNF-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCCc1ccc(C(=O)C2CC(CCC)C2)cc1	1921276351	DPPSLVVNQMGWNR-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC1(C)C[C@H]1CCC1(N)CCC2(CCCC2)CC1	1921561007	DOYXSBNUXDXBLI-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC1CCC(C[C@@]2(CN)CCCC23CCC3)CC1	1921657326	OCWMMAUZRJWYLS-VMBOVVBDSA-N	249.442	4.502	0	10	BJAE	
CCCCC[C@](C)(CNC(C)C)C1CCCC1	1924075934	QXWSNFICNSCEQF-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H](C)C1CCCCC1	1924101206	QEUANJDVRSUQBY-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@H](C)C1CCCCC1	1924101208	QEUANJDVRSUQBY-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@@H]1CC2CCC1CC2	1925787691	YNNLAOKNKJZCFW-SLTXQBBLSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CC(CC)CC	1926375859	IJCJTVRRDMOXBC-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CC[C@@H](CC(=O)c1cscc1C)C(C)(C)C	1938805659	YKLINDUZWRQPCP-NSHDSACASA-N	238.396	4.702	0	10	BJAE	
CCCN[C@H](CC(C)C)CC1(C)CCCCC1	1940407873	JWXXNYKJTMJGMD-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC1(CCC[C@@H](N)[C@H]2CCCCC2(C)C)CC1	1940873526	BXERUUXCSJNJMV-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC1(CCC[C@@H]2CCNc3ccccc32)CC1	1940881220	DMZFQDZNSLSHKV-CYBMUJFWSA-N	229.367	4.556	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CCC[C@@H]1CC1(C)C	1941271052	BKBHARWHCSTYMV-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](N)(CCCC2CC2)C1	1941583693	IHDPEHIXZBVUSL-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]([C@H](C)CCC(C)C)C(C)(CC)CC	1942654179	YCJSCEIPAJOULZ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)C1CCCCC1	1944665865	KVBUBOVMQXBGPJ-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCCC[C@H]1C	1947466025	XCFHCSPVRGEWQC-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@]1(N)CCCCCCCC1(F)F	1947522929	IEFTVFASTUTKOU-CYBMUJFWSA-N	247.373	4.644	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CC2=CCCC2)CC1	1949035078	JOHKMQSPBJGXMI-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)C1(C)CCCCCC1	1949051247	MHLWHCNGAIHVEO-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(N[C@@H]2CC[C@H]3C[C@H]3CC2)CC1	1966012757	XCIUVHVBGMBTAJ-IKIPUTRUSA-N	249.442	4.514	0	10	BJAE	
CCCCN(CCCC)CC1CCC=CCC1	1966260169	GQBLLAOBCLDUIU-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CCN(Cc1ccc(C(C)C)cc1)CC(C)(C)C	1970356769	HIBWCHHKFVYXQO-UHFFFAOYSA-N	247.426	4.678	0	10	BJAE	
CC(C)C[C@H]1CCC[C@H](N[C@H](C)c2ccoc2)C1	1970466810	DMZQBLIKXDLMMU-FMKPAKJESA-N	249.398	4.535	0	10	BJAE	
CCCC(CCC)CNCCCC(C)(C)C	1981291290	CPJJHYFBYTUGPN-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC=CCCC[C@@H](N)C[C@H](C)CC(C)(C)C	1984629812	KYNZRPFYLXGTSX-UONOGXRCSA-N	225.420	4.523	0	10	BJAE	
CCCCCC1CC(n2c(C)ccc2C)C1	1984743174	PIIWSBQTRWXTJJ-UHFFFAOYSA-N	219.372	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@H](CC)N1	1987090108	KYYVLKHHYMAHFA-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@H](O)[C@H]1CC[C@H](CCC)CC1	1989785418	NSILVAAVTQPBCQ-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)C(C)(C)CC	1989818803	LUKQATUQGRMUFF-ZIAGYGMSSA-N	227.436	4.760	0	10	BJAE	
CCC(C)(C)C(=O)C[C@H]1CCCC(C)(C)C1	1994025327	FYGVCTFCUNLXES-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](c2nc(C3CCC3)cs2)C1	1995468621	ZPSSSTLMJWNIAV-JQWIXIFHSA-N	235.396	4.704	0	10	BJAE	
c1ccc(SC2CC2)c(NCC2CCCC2)c1	1996550895	YBKRQYBUZURBOF-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
C[C@H](C[C@H](O)[C@@]1(C)CC=CCC1)CC(C)(C)C	1997585380	FKLVJGLRNHDPBM-YCPHGPKFSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)(CC)[C@@H](CC(C)(C)C(C)C)NC	2000323515	LXEJUJIEPLOTRI-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C1=CCCC1)C(CC)(CC)CC	2000389864	IBWFDGBQOGUYFQ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@@H](O)[C@@H]1CCCCC12CCCCC2	2001561489	NHCQUTOMVMWZRQ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C(C)(C)C(C)(C)C	2002505839	ZCQDWCPJUQCNMR-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CCNCC1CCC(CC)CC1	2002882221	IKSQCRSGRFETBX-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC([C@@](C)(O)CC2CCC2)CC1	2002923919	DDLGXYTXNXGTJA-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(N)C1CCC(CCC)CC1	2002924158	FUPPUNMMFVTMEF-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
CCC1CCC([C@@H](C)NCC(C)(C)CC)CC1	2002925758	NOUWRUQNPMSXHF-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)[C@H]1CCCC(C)(C)C1	2003004733	HJEBWKKNWXWANB-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2003017443	SKZSVKGLBOYQBT-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CCC(F)(F)CC[C@@H]1CCCCCCC[C@H]1O	2003118867	TWNMDPHGAJAXDW-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H](C(=O)CC1CCC2(CC1)CC2)C(C)C	2003274645	DXCCFXSAVZJWBT-CQSZACIVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@@H](C)CCC)CC[C@@H]1C	2006956578	HYTDUZAYDULMKB-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CCC[C@H]1C(C)C	2007616002	OERRYJNIKIGFOJ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@@H](NCC)C1(CC(C)C)CCCC1	2007861221	LBMYVVIJMBXRPM-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCC1(O)CCC2(CCCC2)CC1	2009592026	JMRPNIHYBJRHDE-NSCUHMNNSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H](C)C(C)(C)C)NCC	2009619056	ICRBIKRNUMHWLS-LPXAQJHASA-N	239.447	4.783	0	10	BJAE	
CC(C)(C)CCC(=O)CC1C[C@@H]2CCC[C@H]2C1	2012009745	SOVWBWBOHVCISD-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CN[C@H]1C[C@H](CCCC(C)(C)C)CC(C)(C)C1	2012063255	QYWRIUQJVMZXDT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C(N)(C1CCCC1)C1CCCC1	2013224050	ULGKGZQHAIRPGY-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](CC)CCC(C)C)C1	2013265350	WBTJGSKWCNQXMN-BZUAXINKSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](CCC(C)C)NCC1CCCCCC1	2013266381	GJOHROYTUJUNRX-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC=C([C@](O)(CC)CCC(C)C)CC1	2013270834	MHLOFFHKQCIFEA-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(C[C@@H](N)CC1(C)CCCC1)C(C)C	2015275376	PJIGKHRYMZJUGL-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CCC1(CC)CC(O)(CC(C(C)C)C(C)C)C1	2015284545	ONEBEIVRNFYVCN-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC=Cc1cccc(N)c1)C(C)C	2015338664	KPONWGNGWAJLSZ-UHFFFAOYSA-N	231.383	4.600	0	10	BJAE	
CN[C@@H](C)[C@H](CCC(C(C)C)C(C)C)C(C)C	2015339389	OJHLTEPRYRCHJG-GOEBONIOSA-N	241.463	4.575	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2CCC[C@H](C)C2)CC1	2015741404	AKDFMPMVVPKDMR-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccc(C)c(F)c1	2016145424	OOUXYYKWFDWXCP-CYBMUJFWSA-N	235.346	4.681	0	10	BJAE	
CC(C)=C(C)CNc1cccc2ccccc12	2017428572	BJIAHXGMTUBIEQ-UHFFFAOYSA-N	225.335	4.608	0	10	BJAE	
CCN[C@H](C[C@H](CC)C(C)(C)C)C(C)=C(C)C	2017472416	JUXVTVJIEYCZRV-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CCC(CC)C[C@@H](C[C@H]1CC[C@H](C)CC1)NC	2017725898	VUTLTCWBWADNJN-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@H](C)CC1CCC(CCC)CC1	2017729509	XJARCYAGZQJJRR-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)CN[C@@]1(C)CCC(C)(C)C1	2017918201	QNTUXQLNEGOOFN-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCCCN(C(C)C)[C@@H]1CCC[C@H](CC)C1	2019198540	AYZQSYJOTQFFLT-JKSUJKDBSA-N	239.447	4.856	0	10	BJAE	
CC=C(CC)[C@H](C[C@@H](C)CC(C)(C)C)NCC	2020969247	NQRTYVGDGWRCDE-HIFRSBDPSA-N	239.447	4.783	0	10	BJAE	
O=C(c1ccsc1)[C@H]1C[C@@H]1C1CCCCCC1	2022417457	MWXFRPFVTXSBSQ-KGLIPLIRSA-N	248.391	4.537	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@H]1C[C@H]1C(C)(C)C	2022455391	VZNYEYZCQQIYKH-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H]1[C@@H](C)CCC[C@@H]1CCCCCC(C)C	2023999808	VAXNOTYHJSSHQM-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](O)CCCC2CC2)C1	2024126580	XKYGTZOLLQWKQH-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@H]2C(=O)CCC[C@H]2C)CC1	2024614811	ZBDQXWLHXJJATH-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@H](C)C1CCC1	2026166799	MLFVMCKWBFTHEJ-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)CCC1=CCCCC1	2027153326	RFWLMWUXGHXYOJ-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)c1ccc(C)cc1	2027829459	BPARJUREAIMOBB-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
Cc1cc(F)cc(C(=O)CCC[C@H]2CC2(C)C)c1	2027842912	MOOBBJJSOXPFLR-ZDUSSCGKSA-N	248.341	4.533	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)C1CC2(CCC2)C1	2027856041	USZWTXYOKKUOAY-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](c1ccccc1C1CC1)C(C)(C)C	2028548773	GVSKJHYIEPRMDM-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C1(C)CC(C)(C)C1	2029112306	QAEIIQQTXSHVGQ-HNNXBMFYSA-N	245.410	4.554	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CC[C@H](C)[C@@H]1C(C)C	2035406365	BJBAJKHGHUMIPM-XZJROXQQSA-N	249.373	4.617	0	10	BJAE	
CC1(CNC[C@@H]2CC23CCCC3)CCCCCC1	2036130833	XPZBOWPRTFSWJG-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@]1(N)C[C@@H]1C=CCCC1	2037304842	JKVAHEKKWFOJNA-VQHPVUNQSA-N	249.442	4.523	0	10	BJAE	
CCCC1([C@H](NC)[C@H]2CCC3(CCCC3)C2)CC1	2037689804	IAQHGEBAYGXKMY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC[C@@H]1C=CCCCC1)CC1CCCCC1	2038168904	WNZMIWZQYJJJQP-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](CC[C@@H]1CC=CCC1)CC1CCCCC1	2038168914	WPXYCLJJCYEFKL-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(CNC(C)C)CC=CC1	2042089773	SYNQLKFFYXFXOJ-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)CC2=CCCCC2)C1	2043189526	BPCVULOLUYKWSE-BFYDXBDKSA-N	249.442	4.824	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@H]1C[C@H]2CC[C@H]1C2	2045310686	FLOWCAOMFQZGHV-VGWMRTNUSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)CN(C[C@@H]1CCC=CCCC1)C1CC1	2045312740	QCGIBGKQNPLLQT-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)[C@H]2CC23CCCCC3)C1	2045541445	XYDMILBTIUEZAK-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@@H](c1ccccc1)C(C)C	2045673259	DWTPRLFMUKQUTJ-GOEBONIOSA-N	246.394	4.678	0	10	BJAE	
CC(C)CN(CC(C)(C)C(C)C)c1ccccc1	2046578030	XKKNGZZKAUGGGF-UHFFFAOYSA-N	247.426	4.831	0	10	BJAE	
CCC[C@H]1CCC[C@H](N[C@@H]2[C@H]3CCCC[C@H]32)CC1	2048388240	LHZSTJQDNKWWCR-SMLCLMEVSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC[C@H]2C[C@@H]2C2CC2)C1	2049514948	MHUWVXGYYNYBPA-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc([C@H](O)CC2(C)CCCC2)c1	2049794708	ZLDHLSFRJACSRT-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)CC1(C)CCCC1	2049795525	TVGCXVRJNDMNLN-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@@H]2CCCC3(CC3)C2)CC1	2049932103	HJSRXQOEXYWMRV-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC1CCC(C)CC1)[C@]1(C)C=CCC1	2050009486	YMBSGIPVXMREDW-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)CN[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2052167238	FMABCXLWNVNUIQ-FVQHAEBGSA-N	249.442	4.537	0	10	BJAE	
CNC[C@]1(CCC=C(C)C)CCCCC12CCC2	2053352637	MEMDWVKAFBSONO-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)CCC1=CCCCC1	2053403837	LSYJUXMNEBVTFP-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
CC1(CCC[C@]2(CN)CCCCC23CCC3)CC1	2053420481	YRTQDOXZFYSSRJ-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
CN(CC1(C)CCCC1)[C@H]1CCCCC12CCC2	2053434875	XRQIGTAWVNVLPS-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CC=C[C@@](O)(C[C@H]2CCC=CCCC2)C1	2055085564	KPGCPUJQEBWORM-IKGGRYGDSA-N	248.410	4.620	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC(C)=C1C)C1CCCCC1	2055539841	KECIUIKWUQEMKA-SJORKVTESA-N	249.442	4.824	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C=CCC[C@H]2C)CC1	2055570525	YPQSGYIHYMKHHW-WCXIOVBPSA-N	249.442	4.680	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccc(CCF)cc2)CC1	2055668080	AWMNMEAOPCTEQR-ZFWWWQNUSA-N	249.373	4.579	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C1CC(C)(C)C1	2056883408	NYVYUIVIZOXLPT-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1CCC[C@H]2CCCC[C@H]21	2059266270	DUDBEYXDWAAXTQ-MEXOCTMJSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@@H](C)C1CCCC1	2060926701	SOKWTBPMCUOMSR-ZQIUZPCESA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1=CC[C@@H](C(C)(C)C)CC1)C1(C)CCC1	2061081183	MVNVGMHWOWPMKT-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(O)CCC3(CCCC3)C2)CC1	2061089227	RPEDWNQBGNBYMC-PBHICJAKSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C(C)(C)C)CC1)C1CC1	2061096550	VVNKAJLRRVJOMO-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C(C[C@@H](N)CC2CCCC2)CC1	2061149743	FUYRBGBGLGZPHK-SJORKVTESA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C(=O)CC2=CCC(C)(C)CC2)cc1	2061188795	LPOUHIZWFREZLI-UHFFFAOYSA-N	242.362	4.704	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C1CC(=C2CC2)C1	2061650359	IVFCUPADWGLLAV-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)C[C@H](CC1CC(=C2CCC2)C1)NC	2061740042	UGMJVTWBUVVVRP-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCCCCC12CC2	2062018031	QPIHGORCHZIHRQ-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
CC[C@H](NCCCC1CCCC1)c1occc1C	2063677561	JEIXAZZTAZZHBY-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC1(C)CC(=O)C[C@H]([C@@H]2CCC3(CCCC3)C2)C1	2063717007	YJQDFIQHNGXSNB-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CNC1CCC2(CCCCCC2)CC1	2065893057	UDGILTXOTKZVHZ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@@H]1CCC1(C)C	2068229794	KAQBFSFAPXARME-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(CC(=O)C2C[C@@H]3CC[C@H]3C2)CC1	2068722971	KXAGAMWYJAELNS-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](NCC1(CC2CC2)CCC1)C1CCCC1	2069505457	OGXWLDYUZLCVDW-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@@H]2CC23CCCCC3)CC1	2069519214	JNSZEHVSKKANTI-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C2(CC3CCC3)CC2)C1	2069567517	SBIOIFCNLCXAEL-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CN(C)[C@@H]1CCC2(CCCCC2)C1	2072411644	RNBWXXCQEFGNEK-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCNC[C@H](C)C2)CC1	2072809088	LGBBXJUCDAWTFI-BZUAXINKSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)C[C@H](C)c1ccccc1	2075144224	QCGVUPFBAUTONC-LSDHHAIUSA-N	247.426	4.547	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@H]1C1CCC1)C1CCCCC1	2079334612	XALUZTLJUYWHCL-RCBQFDQVSA-N	248.410	4.598	0	10	BJAE	
CCC(=C[C@H]1C[C@@H]1C1CCCC1)CNC(C)(C)C	2079675312	HDTANOUKHCKVQI-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2C[C@@H]2C2CCCCC2)CCCC1	2079817939	HDHMHUYKLWKQBJ-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)C1CC2(CCCC2)C1	2079842336	NRADKGWEQYIPOV-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
CC1=C[C@@H](NCC2CC(C)(C)CC(C)(C)C2)CC1	2082979715	PRWVLNHJLORFHF-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1ccc(C)cc1C	2086054596	TWHHADCBVORPKS-SUMWQHHRSA-N	247.426	4.910	0	10	BJAE	
O[C@@H](CCCCCCC1CC1)c1ccsc1	2210526673	HVUYBFCEHLLAAE-AWEZNQCLSA-N	238.396	4.532	0	10	BJAE	
C[C@H]([C@H](O)CCCCCCC1CC1)C(C)(C)C	2213578834	AKNJGMUCYFTDDG-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](O)C[C@H](C)CC(C)(C)C	2215237336	OZCVTOSACKVDPF-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)CCC1CCCCC1	2215260347	XREQFMYVDWNNAP-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CC[C@H]1C[C@@H]1C	2215345002	GXDYAJSPCFZITE-JQWIXIFHSA-N	247.769	4.649	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCC[C@H](C(C)(C)C)C1	2216259411	UCRNVIANYWSYIZ-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CC[C@@]1(N)CCCCCCCC1CC1	2216858420	CVUOQZRKDWNWMH-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCCN[C@@H]1CCCCCCCC1CC1	2216861912	IZVANRZFGZAPMB-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1C[C@@H]2CCCC[C@@H]21	2218718064	KBIAUEIQEJZYHE-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1CC[C@H]2C[C@@H]2C1	2218731428	NGEPLGVWBICHLM-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@]1(CNC(C)(C)C)CC=CCC1	2220878023	LUHPHANJYJIJQL-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1(C)CC(C)(C)C1)[C@@H]1CC=CCC1	2221041769	UTVAZAFEGSJORA-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@]2(C)CC=C(C)CC2)CC1	2221628864	XZWFUCWMJBYQON-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CC[C@H](C)[C@H](C)C2)CC1	2221642994	LEADDGCKCSBHBK-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](NCC)c2ccoc2)CC1	2222306700	IOTLIONGZOBETH-IIAWOOMASA-N	249.398	4.537	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)CC(C)(C)C	2243902103	JCYUNBQKGZHOQX-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H](CC)CCC	2244787033	YUQCNLOGRQTCHF-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(Cl)c1NC1CC2(CC(C)C2)C1	2246835828	OZAMXBWOVQMNPO-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
Cc1cccc(NC2CC3(CC(C)C3)C2)c1Cl	2246836565	XUZWHPKOSRJMCP-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
C[C@H]1C[C@H]1CCCC[C@H](N)C1(C)CCCCC1	2247170149	GMLPXRUMJODUDY-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1=CCCCC1)NCC	2247453930	FJVRKOHEOLVHFH-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)c1csc(C2CC2)c1	2248074206	MXRYYVCRCSRSJM-RYUDHWBXSA-N	248.391	4.635	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1C=CCCC1	2248866753	RKWRECRUCAFZQM-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cc2ccccc2s1	2250361418	MTHCUTHFHNBTJQ-NHYWBVRUSA-N	248.391	4.761	0	10	BJAE	
CN[C@H](C)C[C@@H](C)CC[C@@H](C)CCCC(C)C	2250485202	KKJRCOVKKZBRON-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@@]12CCCC[C@H]1CC2	2251213668	ZNRDFADEDFXMBO-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC1CC(CC[C@@H](N)C[C@H](C)CC(C)(C)C)C1	2251758831	GKSKLGXASOQTIA-OOJKYFRXSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC[C@@H]2CCCCC23CC3)C1	2253883467	JULPXPNFEJOMRS-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(N)CC(C2CCCC2)C1	2254605062	LOPFDGVUJYORBQ-XNGJBWTFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H]1CC[C@@H](CC)C1	2255095109	QWEMFMKWUMILCS-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@](N)(CC1=CCCCC1)C2	2255102311	LVIIXPQYDIDCNX-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC[C@]1(C)NCC[C@@H]1CCCC12CC2	2255289170	SWFVYPRNWZVAJI-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C(C(=O)CC[C@H]2CCCC23CC3)C1(C)C	2255313003	LWXOTXIFUZWQBQ-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H]2CCC2(C)C)cc1	2256238984	RVEBZBWFFUGVDR-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CNC[C@]1(CCCCC[C@@H]2C[C@@H]2C)CC=CCC1	2257279752	DBXSZTCKSOBSFZ-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCN[C@@H](CC[C@@H]2CCCCC23CC3)C1	2257741910	MNUBRFQVOPWYLV-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@H]3CC[C@H]2C3)cc(C)c1C	2258250559	ZQFLWBWUVHTNTC-VYDXJSESSA-N	243.394	4.602	0	10	BJAE	
Fc1ccc(C2CC2)cc1NCCCCC1CC1	2259126627	YUCJNFXTOGIMIU-UHFFFAOYSA-N	247.357	4.695	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccc(C(C)(C)C)cc1	2259449169	USEAIOMXGXFSPX-BBRMVZONSA-N	247.426	4.810	0	10	BJAE	
CCCC1CCC(CN[C@@]23CCC[C@@H]2CC3)CC1	2260561020	JEZXDQKGMMAKHC-BHUNQDJPSA-N	249.442	4.515	0	10	BJAE	
CCCNCC1(C[C@@]23CCC[C@H]2CC3)CCCC1	2260651320	KGACFUWGHCYGKU-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@]12CCC[C@@H]1CC2	2260671771	MYVGVBKTQWKYGJ-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CCC[C@@H]1C[C@H]1C	2297875911	CHOQVLDJVAUCKN-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC[C@@H]1C[C@@H]1CC	2298127775	IWDVMOXGPPMQLT-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1C[C@H]1CNc1cc(C(C)C)ccc1C	2300455306	FOQPTIJOYPOFLL-ZFWWWQNUSA-N	231.383	4.576	0	10	BJAE	
CCC(CC)CCCC[C@@H](O)c1ccccc1	2300686644	SVVFRDLBNMDFNA-MRXNPFEDSA-N	234.383	4.717	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@H](C)C(C)(C)C	2300871114	BUNUBOAFNSJQIV-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CC=CC[C@H](NCC)c1cc2ccccc2s1	2300872259	NXLCGOBPYCJOSI-ZDUSSCGKSA-N	245.391	4.518	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(CC2CCCCCC2)C1	2301141387	YLPASGKYJUSLMS-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]1CC[C@@](C)(CC2CCCCCC2)C1	2301141600	AWJZGNXTWQDCPQ-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C(=O)C[C@H]2CCC(C)(C)C2)CCC1	2302765613	LOQGAHUBSKCEEZ-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC1(C(=O)C[C@H]2CCC(C)(C)C2)CCCC1	2302878687	RHZSLJWHOWYSNB-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC1(CC(=O)[C@H]2CC[C@@H]2C(C)(C)C)CCC1	2303396509	LTQIMSUEKAWJSA-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(c2nc(Cl)cc3ccccc23)C1	2303977451	FHYSEQMSRCJYLF-UHFFFAOYSA-N	245.753	4.792	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cc(C)ccc1C(C)C	2307504267	YGIKMFCMOZYGRJ-GFCCVEGCSA-N	232.367	4.737	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](CC)CC[C@@H]1NC	2307900140	FIAYUJYZBHPNES-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cc(C)cc(C)c1	2307901716	IYIHEJUTYGRGGQ-GDBMZVCRSA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@H](NC)CC(C)(C)C1	2307910728	ZJAPQWNDUPWHFH-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@]12C[C@H]1[C@H](C)C2	2308838121	NRSXKYCMDUVKKY-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]2CCCC[C@]2(C)C1)C1(C)CCC1	2309528343	SQVRJBUMWBGTMY-QBYUYEEZSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2310891846	VVDACOMDQXOJAV-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@H]2C2CCC2)C1	2311479323	FPIFKMDNIJAUAS-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
N[C@H]1CCC[C@H](C[C@@H]2C[C@H]2C2CCCCCC2)C1	2311577734	KFOFAUYCGVWONI-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)C1	2311893279	XKWWFTWNOCRYAI-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@]23CCC[C@@H]2CC3)C1	2313342847	TXKRARPEIKJZOF-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](C(=O)c1ccc(C)c(CC)c1)C(C)C	2314700859	XTGSWNQIWKBTCT-MRXNPFEDSA-N	246.394	4.812	0	10	BJAE	
CCCc1ccccc1[C@@H](O)CCC(CC)CC	2316252994	VQXXYAUGCGSWBC-KRWDZBQOSA-N	248.410	4.889	0	10	BJAE	
CC(=CCN1C[C@@H]2CCCC[C@@H]21)CCCC(C)C	2316514972	LODPMFKLYJPXIY-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
CC(=CC[C@]1(N)C[C@@H]2CC[C@H]1C2)CCCC(C)C	2316533631	BJLAFKWUPRTIEU-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CCCCCCC(=O)c1ccc(F)cc1C1CC1	2317110630	FXQGGLPOTJECKK-UHFFFAOYSA-N	248.341	4.856	0	10	BJAE	
CCCCC(=O)CCC(C)(C)Cc1ccccc1	2317259442	TUFHCKSHJXDLCT-UHFFFAOYSA-N	246.394	4.795	0	10	BJAE	
COc1ccc2c(ccn2[C@H](C)[C@H](C)C(C)C)c1	2317827905	OLUISGBVQFELGU-CHWSQXEVSA-N	245.366	4.503	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1C[C@@H]2CC[C@@H]2C1	2317930912	ZXLCVHOSWYFNKT-IMRBUKKESA-N	247.357	4.550	0	10	BJAE	
C[C@H]1CCN(CCCC2=CCCCC2)C2(CC2)C1	2318574888	AOCYFYCXVMGJRZ-HNNXBMFYSA-N	247.426	4.532	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)C[C@@H]1CCC(C)(C)C1	2319080946	QMEVKVJWCJNBTD-GJZGRUSLSA-N	246.394	4.553	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)C1(CC2CC2)CC1	2320247516	BTJRCKPSTJLFKG-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@](C)(N)[C@@H]2CCC2(C)C)CC1	2320328160	OWCQXZVOIDOLAU-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)C=CCC(C)(C)C2)CC1	2320335623	CONZMFISSUYLAM-WBVHZDCISA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C[C@@H]2C[C@H]2C2CC2)CC1	2320408126	HPPDBZGICBYGJY-LXZKKBNFSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CCC2CCCC2)CC1	2320416684	MLARLKMKBBDFLF-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)CCC[C@@H]3CC[C@@H]32)C1	2321599495	VDKLBRCRJSFMGD-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@@]23CCCC[C@@H]2C3)C1	2321600990	VFTUJTPXLYKIMB-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C=CCCCC2)c1F	2327778532	QTRCVDRGJDYSSU-CYBMUJFWSA-N	247.357	4.860	0	10	BJAE	
CCCCCCc1ccc([C@@H](N)C(C)(C)C)cc1	2327896142	LSVVZCRHDQMWTP-MRXNPFEDSA-N	247.426	4.855	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1ccc(Cl)s1	20482671	MPVMMVHZSZVTMR-CABZTGNLSA-N	245.819	4.618	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1cc(C)sc1C	20482693	GDJQBJBPMOFGSG-OCCSQVGLSA-N	239.428	4.581	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H](C)c1ccccc1	20547027	NCBUBINXFVJJNU-CABCVRRESA-N	233.399	4.552	0	10	BJAE	
CCCCc1ccc(N[C@@H](C)CCC)cc1	20553466	LEAJPLWNDSZSAA-ZDUSSCGKSA-N	219.372	4.630	0	10	BJAE	
Cc1ccc(N)c(-c2ccc(C(C)(C)C)cc2)c1	21950935	KLQQWKFLUXYAFI-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1ccc2ccccc2c1	36951847	WLZKXZSDCZWGJM-STQMWFEESA-N	227.351	4.686	0	10	BJAE	
CCCCCCNc1nc2ccc(C)cc2s1	75825319	ZFSANBSNFPMFAZ-UHFFFAOYSA-N	248.395	4.597	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H](C)CNC(C)(C)C)C1	84140616	ILYGKVOEZMFOMW-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cc(F)ccc2C)CC1	86893940	ULHJCIHYEXQGDF-DZGCQCFKSA-N	249.373	4.905	0	10	BJAE	
Cc1ccc(F)cc1C(=O)C1CCC(C)(C)CC1	87940791	XVCWJRWAKXTPOT-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCCCC[C@@H](N)C1CCC(CCC)CC1	87962666	MNIXNFBXZUHCFZ-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
CC/C=C\C[C@@H](C)c1ccccc1Cl	107496372	WUWRILIFFPTSRM-DOGVGXBMSA-N	208.732	4.800	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C1CCCCC1	110257998	AETGGIXKTIRWTI-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1C	113598599	CVRSZZJUWRLRDE-BHPKHCPMSA-N	208.389	4.885	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2nc(C(C)C)cs2)C1	131970933	KIXUSZYIGKYCQT-NWDGAFQWSA-N	237.412	4.950	0	10	BJAE	
CCCC[C@H](CC)c1nc2c(C)c(C)ccc2[nH]1	143268611	LSVSFTXRTVGIDI-ZDUSSCGKSA-N	244.382	4.864	0	10	BJAE	
O[C@@H](CC1CCCC1)c1ccc(C2CCC2)cc1	159281592	IXTYIAFHBKHWEL-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CC(C)CCC[C@H](O)c1cccc2ccccc12	165599284	BXIJAMJHEOKNDP-KRWDZBQOSA-N	242.362	4.700	0	10	BJAE	
Cc1ccc(C)c(C(=O)C2C[C@H](C)C[C@@H](C)C2)c1	166001890	WQKJQBGALRXGDH-CHWSQXEVSA-N	244.378	4.558	0	10	BJAE	
CC(C)CCCOc1ccccc1C(C)C	166209022	NHOCAGMSNNBMSB-UHFFFAOYSA-N	220.356	4.625	0	10	BJAE	
CCCN[C@@H](CCC)c1cccc(C2CCC2)c1	169033948	QLUGCBRUCIUHPH-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CCN[C@@H](C)CCC[C@@H](C)CCCC(C)C	196384052	YEGSINHJUAZIEC-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccc(Cl)c(C(C)(C)C)c1	202822781	ZAVPRKKFPAAZDJ-UHFFFAOYSA-N	210.748	4.761	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC[C@@H](C)C[C@@H]1C	226163013	OWHGOQLAMBCCCD-UGUYLWEFSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)[C@@H](NC)c1ccccc1C(C)(C)C	228694728	IANHZSXLRHPOSR-MRXNPFEDSA-N	247.426	4.681	0	10	BJAE	
CCN[C@@H](CC(CC)CC)c1cc(C)cc(C)c1	229166634	NSZUNMIOUSELMK-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCC[C@H](N[C@@H](C)CC1CCC1)c1ccccc1	229683069	UTBBSDURXVOXAS-YOEHRIQHSA-N	245.410	4.696	0	10	BJAE	
Cc1c(C)c(C)c(C(=O)CC2CCC2)c(C)c1C	232154930	NJUVNQISBNTWHI-UHFFFAOYSA-N	244.378	4.602	0	10	BJAE	
CC[C@H](C)c1ccc(OCc2ccc(C)o2)cc1	232358445	XFYDQYASXGPERS-LBPRGKRZSA-N	244.334	4.681	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@H]1Nc1cccc(Cl)c1	235590564	WRFYMPBCIHEDJH-GXFFZTMASA-N	237.774	4.577	0	10	BJAE	
Cc1ccc([C@@H](N)C2=CCCCCCC2)cc1C	235894283	SDLCFXKZIUJJDV-KRWDZBQOSA-N	243.394	4.584	0	10	BJAE	
O[C@@]1(C2=CCCCCCC2)CCC[C@@H](C2CC2)C1	236528567	CPPGMCIKAZFZIE-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
Clc1ccc(N=C/C=C\c2ccccc2)cc1	254492946	ZXZVTWCIZIOXIQ-WENYHIJHSA-N	241.721	4.756	0	10	BJAE	
CCC[C@@H](C)[C@@](C)(CCC)CNC(C)(C)C	300345065	UAIUHGHLOHIUTL-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(NCCC2CCCC2)c1Cl	300901926	QGNCXJSXKHKMHD-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
C[C@H]1C[C@H](C)CC(N)(CCC2CCCCC2)C1	302274299	SCHGHNIPOIFMJR-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)C1CCCCCC1	302342767	VGLRXCAZSDXCOV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1ccc2ccccc2c1	302590325	UFWVXOBYFHUELZ-CYBMUJFWSA-N	240.346	4.705	0	10	BJAE	
CCC[C@H](CCC1CCCC1)CNCC(C)C	305947807	MNLHDSLFKZPRQM-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H](C)C[C@@H]2C)cc1C	305951569	CYLKITFCZBXGHD-RVSPLBMKSA-N	245.410	4.794	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C(C)(C)CC	305990219	SSBUYCGBFAYXRK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(C2CCCCCC2)C1	306050003	PFIUTZXAMCVIQF-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC(C)S[C@H](C)c1ccc(Cl)s1	306512827	QSYMFGWTCBOWIT-SSDOTTSWSA-N	220.790	4.604	0	10	BJAE	
C[C@@H]1[C@@H]2CC(C)(C)CC[C@@]2(C)CC[C@H]1C	308715597	PEBJZQBEEWPOET-UKTARXLSSA-N	208.389	4.885	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1sccc1F	309196150	ALDPDVHKSWUIOD-JQWIXIFHSA-N	244.375	4.527	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2C=CCCCCC2)c1	310060632	FSNQFFGIGYHFOL-HNNXBMFYSA-N	229.367	4.604	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCCCC12CCCC2	310413701	PHEDBYPTDGYPHS-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@](C)(CNCC)CC1CCC(C)CC1	310546413	VBUOBVQMZFKNQD-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)C(C)(C)C(C)(C)C	310587934	WWYJZKPEKMVPGZ-ZDUSSCGKSA-N	241.463	4.863	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CCC[C@H](C)C3)c12	310594559	YALZKMIGIYZBDH-XJKSGUPXSA-N	241.378	4.955	0	10	BJAE	
C[C@@H]1CC[C@@H]1Nc1ccccc1-c1ccccc1	310627528	DIMFXJRQIUYXEW-CJNGLKHVSA-N	237.346	4.564	0	10	BJAE	
Cc1cc(N)c(F)cc1-c1ccccc1C(C)C	310979325	SUQMJOZAWZXOBQ-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@H](C)CCC(C)(C)C	311023608	VJNYDWPVCKAZNS-HUUCEWRRSA-N	247.426	4.860	0	10	BJAE	
CC1(CN[C@@H]2CCCC23CCCCC3)CCCC1	313008557	ITLOXPMDKAGXJJ-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](C)[C@H](C)Oc1cccc2ccccc12	319705503	YIZFOSATLZAYKV-STQMWFEESA-N	228.335	4.653	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@H](C)CC(C)C	380221547	WARNGNFOUWJUTK-CQSZACIVSA-N	234.383	4.932	0	10	BJAE	
C/C(=C\Cl)CNc1ccccc1C(C)(C)C	380883775	GHYQXQAFRLUIJI-PKNBQFBNSA-N	237.774	4.539	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2CCC1CCCC1	383123102	JJHZPRYJOIVYSZ-CQSZACIVSA-N	229.367	4.556	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H]1CCC[C@@H](C)C1	383207456	BHJBBOOBTDTYMP-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc([C@](C)(N)CCCCCC(C)C)c1	383229270	TXOUDPXQKQCPQH-QGZVFWFLSA-N	247.426	4.775	0	10	BJAE	
CC[C@H](CCCCCC(C)C)CNC(C)C	383267804	MWVJGZPNMLCJCJ-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCc1ccccc1C(=O)C(C(C)C)C(C)C	384451728	JMNPLGVTCSKCFF-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C(CCC)CCC	384519047	WLAWOSDCLCPFPE-KRWDZBQOSA-N	248.410	4.889	0	10	BJAE	
Cc1cc([C@H](C)N[C@H](C)CC(C)(C)C)cs1	384525294	LBYCMIKEKJHINM-PWSUYJOCSA-N	239.428	4.532	0	10	BJAE	
CNC[C@@H]1CC[C@@H](C)C[C@H]1CCC1=CCCCC1	384901790	AQPQZJAGGOOMMP-OIISXLGYSA-N	249.442	4.539	0	10	BJAE	
Fc1ccc2ccn([C@H]3C=CCCCCC3)c2c1	384940091	CDTQEEQRJOSXRO-HNNXBMFYSA-N	243.325	4.842	0	10	BJAE	
CCCCCC[C@H](O)c1ccccc1CCC	385258230	WTZIRIAFGDCHFX-INIZCTEOSA-N	234.383	4.643	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@H]1CC12CCCCC2	387259880	KYZTXXSKEGIEIM-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](N[C@@H]1CCC1(C)C)c1ccccc1	393969510	YGRAHMUIGFRLCQ-HZPDHXFCSA-N	245.410	4.696	0	10	BJAE	
Fc1cccc(NCCC2CCCCCC2)c1	394536308	OPUDNIVRRKYIDM-UHFFFAOYSA-N	235.346	4.598	0	10	BJAE	
CCCCc1ccc(NCC(C)(C)CC)cc1	394548882	ACVHAKFRLFNQPU-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
C[C@H]1CC[C@]2(C)CCC(C)(C)C[C@H]2[C@@H]1C	394833124	PEBJZQBEEWPOET-SFDCQRBFSA-N	208.389	4.885	0	10	BJAE	
CSc1ccc(F)c2sc(C(F)F)cc12	396242392	MJVIHGLOSOVTIA-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
COc1csc2c(C(F)F)ccc(Cl)c12	396292041	ODUCYDLDUBZUHU-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CSc1sc2ccc(C)cc2c1C(F)F	396400490	CLSCLFGEIYUNMY-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC1(CNC(C)(C)C2CCC2)CCCCCC1	398017288	ACXAZEYPTNHHQB-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C[C@H]1CCCCC(=O)C1)c1ccccc1	686745549	LXRDGSIGAMDGQK-AWEZNQCLSA-N	244.378	4.504	0	10	BJAE	
CCC(CC)(CC)CNCC1(C(C)C)CCC1	687275547	QCGFEQLVXLKZMR-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(C)cc(NCC2(C(C)C)CCC2)c1	687280164	ORNRVXFIRAMYGA-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)c2cccc(C(C)C)c2)C1	688939198	XIJSUOCZYZWAAY-XJKSGUPXSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](C)CC1CCCCC1	689833654	WGBGFLPBPAOLAA-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C1=CC[C@H](CNc2ccc(C3CCC3)cc2)CC1	690158464	HGNBYXJISMCUJD-AWEZNQCLSA-N	241.378	4.722	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CC3CCC2CC3)C1	691727180	IPVFENBMFFFFJH-PYVGIJRLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@]12CCCC[C@@H]1C2	693186703	VNQAKUOENKQKRZ-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCCC3(CC3)C2)CC1	695716672	MVXGKCCWIHCUMX-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCC(C)(C)CC	696643352	DJFFNQYJUGQNMO-UONOGXRCSA-N	227.436	4.747	0	10	BJAE	
CCCNC[C@@H](CCC(C)(C)CC)C(C)(C)C	696676974	GQUKIZUKEKOUBA-CQSZACIVSA-N	241.463	4.865	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CCCC[C@@H]1C	697759766	UIJAWCDPTGPYPM-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H](CC)CC(F)F	701538896	NUTOPIWTVWOVHY-RWMBFGLXSA-N	249.389	4.602	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)CCC(C)C	704855201	YULGHAWSKVSRPN-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
Fc1cc(Cl)cc(OC2CCCCCC2)c1	705965749	DDYKHNSONRDASX-UHFFFAOYSA-N	242.721	4.581	0	10	BJAE	
Cc1cccc(NC[C@H](C)CC(C)(C)C)c1F	709107904	ZNRLKKDCDGRBRT-LLVKDONJSA-N	237.362	4.618	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC)(CC(C)(C)CC)C1	713336643	PDEVKKBGXZFGMI-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)CCC(C)(F)F	714024085	CKQZHFALAKIXNL-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714288923	FMVKLDUEZVPCTH-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@@H]32)C1	714315194	YEAPLFWFKDWGNU-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
O=C(CCC1CCCCC1)CC[C@H]1C[C@@H]1C1CC1	714896717	RHHMEIYSVOABJV-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CCNC/C(=C\[C@@]1(C)CC1(C)C)C1CCCCC1	717127853	MMECTFOXGCMWSM-JMPLCFMRSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H]1CC[C@@](C)(CCC(C)=C(C)C)C1	718649329	DBZBSQOTZQHORP-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CNC[C@]1(CCCC(C)C)CCC=CCCC1	719001097	ZSYDFGPGEWBPAR-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@](O)(CC)CC1CCCCC1	720971522	WDPYPTQFFCYOKP-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)(CC)[C@@H]1[C@@H](C)CNC1(CC)CC	721883780	LTTYGLQSNFKYDL-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CC)C(C)(CC)CC	723107374	YTXGMAHAEMLNAE-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
N[C@]1(C2CCCCCC2)CC[C@@H]2CCCC[C@H]2C1	723613700	QXAINCNVDROJIL-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](C)CCNCc1cccc(C(C)C)c1	1179468579	HUFHWPDTNSUEOK-HNNXBMFYSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CCC[C@H](NC2CCC3(CCC3)CC2)C1	1205430540	BIGRFJVSVKYUHU-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)C[C@@H](C)CC(C)C	1307687964	CFIQHBFSTWTEMQ-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC[C@H]1CCC=CCCC1	1474745774	IKIVZUKXTUHRLN-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(CNCCCC(C)(C)C)c1	1655678470	FZNHAISKAACTCO-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
CC=CCCCc1sccc1C1CC1	1885364125	IVCKZDJPEJHMBB-UHFFFAOYSA-N	206.354	4.524	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CCC[C@@H](CC)C1	1900872167	UTTUZKRZMDXUFV-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H](C)C1CCCCC1	1900898423	OUHGSGNHJAUMSZ-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1cscc1CC	1905367220	UTHVYZWTRWKFTO-RISCZKNCSA-N	239.428	4.527	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1cccc2sccc12	1910660273	CCPRENWPGXRXFO-ZWNOBZJWSA-N	244.359	4.520	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCC3(CCCC3)C2)C1	1916442899	RZFUDFAZYAMLRK-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCc1ccc([C@](O)(CC)CC(CC)CC)cc1	1919610330	GAOYCQJRLHARMP-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCCCCC1(CNC(C)C)CC(C(C)C)C1	1921218581	NMKOPUGPOOIQGP-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H](C)C1CCCC1	1923882113	OIPIDTQFCXPKJV-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CC(C)NC[C@@]1(C[C@H]2C=CCCCC2)CC1(C)C	1925757423	NCFOXGSOHMWQOU-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)C1CC(C)(C)C1	1925936513	UUYPOMIUWFXNQN-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC(=O)C[C@H](C)C1CCCCC1	1926137420	HALWVQSUPGPCMQ-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC(=C(F)F)c1cc(Cl)cc(Cl)c1F	1927590615	JTTOUXGOQMNHDI-UHFFFAOYSA-N	241.039	4.760	0	10	BJAE	
CC1(C)C[C@@H]1CCCNc1ccsc1Cl	1927808765	WEIIHGKVWUHFGP-VIFPVBQESA-N	243.803	4.640	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)c1sccc1C	1938537077	PDGZDPXFSNTPNG-CHWSQXEVSA-N	239.428	4.676	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CCC(C)(C)C)CC1	1939904506	XOFZKRPPWGITBX-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC1(C[C@H](O)CCC2CCCC2)CCCCC1	1940405177	ASYMXHSADXIRDK-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)C1(C)CCCC1	1940406460	DCXJCUYXZFAEEO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC(=O)CC[C@H]1CCCC1(F)F	1940732736	GZUBPURAZSBEFQ-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CCCCCC1CC1	1941573315	MPNNRXYKNHAROI-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)CCCCCC2CC2)C1	1941574870	GXRJCNWBBNLDKX-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)CCCCCC1CC1	1941575760	PGGPCFVVDOOWSZ-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H]([C@@H](C)CCC(C)C)[C@H](CC)C(C)C	1942655067	GBJRVYWLFOSEPK-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CC(C[C@@](C)(N)CC(C)(C)C)C[C@H](C)C1	1944201851	FQAVIFIBZUNLNV-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
CCC1(C[C@H](O)C(C)(C)C2CCCC2)CCC1	1944621974	IQSQXKBUEQUYCY-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@@H]1CCC[C@H]1C	1944837962	VXGXZBYHYVFVKK-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC[C@H]1CCC[C@@H]1C)C(C)C	1944843233	QDXXXNLOVDFRGX-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@@H](O)C[C@@H]1CCC[C@H]1C)C(C)(C)C	1944851002	ZFNNHBPOMLXHOA-QPSCCSFWSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(O)c(-c2csc3ccccc23)c1	1945618723	XXAWQCCACBRKAG-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cc(C)ccc1F	1947466288	SUDIGAUVKWQGJP-GXTWGEPZSA-N	235.346	4.515	0	10	BJAE	
C[C@H]1CC[C@H](NC2CCCCCCCCC2)C1	1947880776	HHBQHQZJURFJNP-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)N[C@@H](C)C1CCCCC1	1948324505	AKQNUDIMWRPEPU-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CC(C)=C[C@@H](C)C1	1949008509	CTKZLMUSIDYAJS-SNPRPXQTSA-N	237.431	4.523	0	10	BJAE	
Cc1ccc(Cl)c(NCC2CC3(CCC3)C2)c1	1949838053	SDHIVZHNOWYYRP-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
CC(C)(C)CCCC[C@@H](O)CC1CCCCC1	1949926877	QZCQIBSZPIMQTE-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](C)NC1CC2(CCC(C)CC2)C1	1950545574	OIDNSYVONVBOBQ-PYEOEOCKSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)CC2(C)CCCC2)CC1	1950911527	PGEVYUGJVWCOOB-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@]1(CNC(C)(C)C)CCC[C@@H](C)CC1	1950924025	JRUOVTHCTRIVMM-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(OCC)cc1C	1951308939	QVAVOVHYFAFBAI-CYBMUJFWSA-N	232.367	4.854	0	10	BJAE	
CC=CCCc1cc(C)cc(C(C)(C)C)c1OC	1951309129	VHEWMSYLBNGUEV-UHFFFAOYSA-N	246.394	4.810	0	10	BJAE	
CC[C@@H](C)CCNCc1ccccc1C(C)(C)C	1964047026	AAUNNWMDIUMMDI-CQSZACIVSA-N	247.426	4.510	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1N[C@H]1CCCCC12CCC2	1967761950	FPZOQBOBKUFVGJ-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(N[C@@H]2CCCC3(CCCC3)C2)CC1	1967856612	VSTTXNHMBOSKST-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CCc1ccc(NCC[C@@H]2CCC[C@@H](C)C2)cc1	1968314040	OCMVTGLNXNYMLT-ZBFHGGJFSA-N	245.410	4.877	0	10	BJAE	
CCc1ccccc1N[C@H](C)C1CC2(CCC2)C1	1968360022	KFGAHIMAWSSKJF-CYBMUJFWSA-N	243.394	4.630	0	10	BJAE	
CCCCCC[C@@H](NC)C(CC)(CC)CC	1978527377	REFBTLGYPFIGSB-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCCCC[C@](C)(CCCC)CNCCC	1978648548	QAIHPOHOWDKFFJ-HNNXBMFYSA-N	227.436	4.763	0	10	BJAE	
CC(C)=CCCCC(=O)c1ccc(Cl)cc1	1980683910	AAFGRVKLRGMPET-UHFFFAOYSA-N	236.742	4.659	0	10	BJAE	
CC(C)CCCCC[C@H](O)c1cscc1F	1982846928	QNECJBSADPZQHH-ZDUSSCGKSA-N	244.375	4.527	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCC[C@@H]1C(C)C	1983272149	DBXVRRCXZJWONA-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)CC1(O)CC(C)(CC)C1	1984403613	PGLZUPBMYKGHKV-NFOMZHRRSA-N	226.404	4.534	0	10	BJAE	
FC(F)(F)CCCCC1CC(=C2CCC2)C1	1985534267	HALPXSSYAZQDAY-UHFFFAOYSA-N	232.289	5.000	0	10	BJAE	
CCCCC[C@H](CC)NCC(C)(C)CCC	1990091015	JCKRNMWOWMPBLW-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H](C)C(C)(C)C	1990092175	WDLDHJGDEYSIAY-HIFRSBDPSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)C1CCCCC1	1995262153	KXZWFQNAEFDAIJ-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@H]1CC[C@H](C)C1	1996267948	JMSBVCSGMGIHJK-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@H](C)CCC(C)C	1996614317	BNVUFPDGEMJIAN-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNCCC=C(C)C)CC1	1997215917	RVTPMASAZCFWDB-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC1CCCCCC1	1997428513	GYLJLJRJWIXZLF-INIZCTEOSA-N	237.431	4.658	0	10	BJAE	
CC(C)C(C)(C)CN[C@H](C)CC1=CCCCC1	1998388317	ZIXYRWYSTIXLTG-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@H]1CCCC(F)(F)C1	2000019644	GASXMPDMOCASFA-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)CCCC2CC2)C1	2000210653	CHXXELFZEZVMCO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CCCC1CCC1	2000294053	ONTSZLWWCATUMA-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)CC1CCCC1	2000520573	MCQBDFNKMXMCSQ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCCN(C(C)C)C1C[C@@H](C)C[C@H](C)C1	2000901223	WYHXKDLWTDQZSV-GJZGRUSLSA-N	239.447	4.712	0	10	BJAE	
CCC(CC)CN[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003021019	PTLFZTLEAHKWME-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
NC1(C[C@H]2CC=CCC2)CCCCCCCC1	2003097844	IHLRQHSOXCRCLF-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@H](CC[C@H]1C=CCC1)c1cccs1	2003678772	GBJWZJMBYSSJFY-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
C[C@H](Nc1ccc(C(F)F)cc1)C1(C)CCC1	2004833452	JYMLFCFTKPQTAW-JTQLQIEISA-N	239.309	4.615	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H](c1cccs1)C(C)C	2007028291	VWBYBSGNUNKGGV-DZGCQCFKSA-N	249.423	4.534	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CCC[C@H]2CC2(C)C)CC1	2009405466	ZFVVDUSHIRCPJJ-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NC)C1CCC(CC)CC1	2009633751	BORMXRWBDWRFAN-GUYZCGGBSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)C1=CCC(C)(C)CC1	2010712960	BWXGEPYATDUEKA-CABCVRRESA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C1=CC[C@@H](CC)CC1	2010713497	DWDQYLUKWZGDGK-IIAWOOMASA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1CC(=C2CC2)C1	2011068516	OZWZRXYJGVBTIT-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)CCC(=O)C12CCCC1CCC2	2012136563	PINWILRLQPFEIY-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@@H](O)C1CCC2(CCCCCC2)CC1	2013204961	PNBZXXAFUAYQPX-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)C1(CC)CCCC1	2015274060	ITPXTHMVRCFNIO-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@H]2C(=O)C[C@@H](C)C[C@H]2C)CCC1	2015594656	IRSRSXPLDCBIKY-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)C(C)(CC)CC	2017246581	SOTOOZPNQWYIHS-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)C1CCC(C)(C)CC1	2017485079	CAZYMIKDEIJLJV-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](CC(C)(C)C)NC)CC1	2017658477	MYPVLCIOABJEFP-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CSc2ccc(N)cc2)CC1	2017714615	HJMZSCXSJQGIFP-JOCQHMNTSA-N	249.423	4.577	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1[C@H]2CCCCC[C@H]21	2018136511	MANKSKPYJHGXEF-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H]1C=CCCCC1	2018137892	ZTGOUUJKAABIBI-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N(C)CCCC(C)(C)C	2019325905	PVCOTFRRQCSYPE-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCCN(CCCCCC(C)C)C1CCCC1	2019344346	LXAZPKXGSIDYEF-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCCCCC[C@](C)(O)CCC[C@@H]1CC1(F)F	2019564977	AYCLKNOUMPOQDK-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CC[C@@](N)(CCC1=CCCCC1)c1cccs1	2019846194	LJUFPQBVOGGERV-OAHLLOKOSA-N	249.423	4.593	0	10	BJAE	
CCCN(CC1(CC)CCC1)C1CCCCC1	2020537659	PZMDZDHRVIWRJI-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1C[C@H]1C1CCCCC1	2022376161	KHXCBRLHRDWTCC-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@@H]1CCC)CC(C)C	2022495810	MGSVNBBOWAMOEJ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
Cc1c[nH]c(-c2ccc(C(C)C)cc2)cc1=S	2023460131	DEIQECPSUDFQPA-UHFFFAOYSA-N	243.375	4.843	0	10	BJAE	
CC[C@@H](C)N(C)CC1CC(C)(C)CC(C)(C)C1	2024099861	WRGQOAXBKNHEID-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCC[C@@H]1C[C@@H]1C	2026073469	HTQRFRLDSALKKS-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC1(CCC)CC1	2026169410	IHFUTZDAKQYQOC-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CC1(C[C@@]2(C3CC3)CCCCCN2)CCCCC1	2027301587	KPWUPKVTRNTHOY-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@H](C)C1CC1	2027626933	SPYMRSNOMHAGHC-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@](C)(F)c2ccc(N)cc2)C1	2027935081	FEPCXZFXQBSTTH-IOASZLSFSA-N	249.373	4.670	0	10	BJAE	
Cc1ccc(O)cc1-c1cccc(C(C)(C)C)c1	2028088036	FBLIDAUMKNPLDO-UHFFFAOYSA-N	240.346	4.665	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)c1ccc(C)cc1	2028635570	AOXDEBFRSCOANL-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@H]1C[C@@H]1CC	2028868956	BEKUXBKFYNXNST-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)C(C)(C)C1CCC1	2028869380	HANYVWSGRMSPMH-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@@H]1CCCC[C@H]1CC1CCC=CCC1	2028875221	FVKCQSYZMZIXHG-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](C)CCN[C@H](c1ccccc1)C(C)C	2029966682	LHUMFTRBNLYQQZ-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
CCCC[C@H](N[C@@H]1C=CCCC1)c1ccccc1	2030355766	BGURTLNTOVPGJT-SJORKVTESA-N	243.394	4.616	0	10	BJAE	
C[C@H]1C[C@@]1(C)C(=O)c1ccc(C2CCCC2)cc1	2031745026	JYNJTPFYXPWCAJ-YVEFUNNKSA-N	242.362	4.573	0	10	BJAE	
CC[C@H](C)[C@](C)(N)c1ccc(C2CCCC2)cc1	2031749274	GYQUKYQXROTNJN-GUYCJALGSA-N	245.410	4.564	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@@H]2CC[C@H](C)C2)cc1	2033402177	OVHNLRYQZUDCBK-CLROSIBMSA-N	246.394	4.670	0	10	BJAE	
CCCCCc1ccc(N[C@H]2C[C@@H]3C[C@@H]3C2)cc1	2035803397	AMCWOFJYOHULSS-SCAQPMJSSA-N	243.394	4.630	0	10	BJAE	
CCNC[C@@]1(C2CC(C)(C)C2)CCC=CCCC1	2036179404	YAGKDBQUDMZDLT-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCC[C@](N)(CC[C@@H]1C[C@H]1C1CC1)C1CCCC1	2037127673	CFHPBCOUXOQUAL-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1C[C@H](C[C@H]2CC=CCC2)CCC1(C)C	2037866311	YDRLEOTWTKZSSF-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CC2CC3(CCC3)C2)C1	2037977615	YSDHOGGWGSDWLO-NHAGDIPZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@H]2CCC3(CC3)C2)CC1	2038581331	ZSVXITWWJWGPFC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@@H]2CCC3(CC3)C2)CC1	2038581333	ZSVXITWWJWGPFC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1NC1CC2(CCC(C)(C)CC2)C1	2038932385	CQXLIQRBFZFICM-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1C=CCCCC1	2039039438	RIVQFWVFCHYGPV-DLBZAZTESA-N	249.442	4.824	0	10	BJAE	
Cc1cc(NC[C@@H]2CC23CCCCC3)ccc1F	2039050568	IYKJUSZGNNKPLZ-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@H]1CC[C@@H](C)C1	2040165408	HVUWTZSXHZGPBP-KEYYUXOJSA-N	245.410	4.636	0	10	BJAE	
C[C@H]1CC[C@H](CC2(CNC3CC3)CCCCC2)C1	2040181095	GWOISVCBAQSRQE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@@H]1C=CCCC1)C1CCC(C)(C)CC1	2040636787	VICPAEDRCFOECY-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(=O)c1ccccc1C1CC1)C1CCC1	2042271910	JMSZSWZFDSPACU-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C1CC2(CCC2)C1	2045313936	DYHYPEUFMHHCMX-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CC1([C@H](N)C[C@H]2CCC=CCCC2)CCCCC1	2045316379	CZKBHMHAOGNCJX-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)C1(C)CCCCCC1	2045733779	VMASONZAVPZUBS-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1C[C@@]1(N)CCCCC12CCCCC2	2047560274	DJIMCJPPXACINK-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCC1CCC1)C[C@@H]1CCC12CCC2	2047940335	ULYOFPIUNZTORN-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)C[C@H]1CCC2(CC2)C1	2049854583	HJMXTGGRTHGYPK-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCCC1CC1)c1ccccc1C	2050451569	WMIGLRZQIOKNCI-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CC1(CC2(CN)CCC3(CC3)CC2)CCCCC1	2056522417	HOQBGFLBDNPIIZ-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
CC1CC(C)([C@H](N)C2=CC[C@H](C(C)(C)C)CC2)C1	2061088500	NHJSIJBHLYKWLF-WSYIQSFVSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)[C@@]2(C)CC2(C)C)CC1	2061100385	WIYLKWSSKSVWGZ-JKIFEVAISA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@H]1C)c1ccccc1	2062653310	ROEDIKOLRKHWJN-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CC2(CC(C[C@@H]3CCCCC[C@@H]3N)C2)C1	2063207126	CEYFBFIKBDKEJF-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@H]1CCNC2(CCC2)C1)C1CCCCC1	2063231760	DQXSFQRFXBVSJL-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063481151	RPJPQPMLNAXHAB-AQRZSSMZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCC1	2063496266	IOFYPDAGVCNONG-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CCC(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CC1	2063520561	PFBSFGZYDSRVLM-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H]1CCCC[C@H]1CC12CCC(CC1)CC2	2065334340	CLMJZZGXWQUUSK-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC12CCC(CC1)CC2)CC1CCCC1	2065337421	ANWBHUMFRRCGPQ-WIHSUSGWSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2ccc(C(C)(C)C)cc2)N1	2066375468	KTXSJZPGRDSUPW-HZPDHXFCSA-N	245.410	4.577	0	10	BJAE	
CC(C)c1ccccc1C(=O)C1(CC2CC2)CC1	2069499188	CILRNZVDPMEVOY-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C2(CC3CC3)CCC2)C1	2069515998	VFKCXSHFGUKYOF-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCN(C)C1CC(C2CCCCC2)C1	2069601266	ZFXXJDNYTTVFKG-ONEGZZNKSA-N	249.442	4.633	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CC[C@@H]1C1CC1	2071797499	HQKCZTIHDNECEJ-UKRRQHHQSA-N	243.394	4.585	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCC=CCCC2)CC1	2072798720	MBSDNGIOYIOCMS-JCYILVPMSA-N	249.442	4.811	0	10	BJAE	
CCCC1CC(CN(C)[C@@H]2C=CCCCCC2)C1	2074800412	VLIKIKRIHOLSDP-OFLPRAFFSA-N	249.442	4.633	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@H]2C[C@](C)(F)C2)cc1	2077823495	UHJKCBQQCJVAFG-YGUOUDRMSA-N	248.341	4.521	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H]2C=CCCC2)cc1	2077926443	AEAJSSPLZHJZLU-HNNXBMFYSA-N	242.362	4.568	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](NCC)C1=CC[C@@H](CC)CC1	2079444172	SUXNAELUZAKYLI-SIXLDLHFSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1cccc2ccccc12	2079656242	MZUCCASJXSJNID-GJZGRUSLSA-N	239.362	4.688	0	10	BJAE	
CC(C)(C)NCC=C[C@@H]1C[C@@H]1C1CCCCCC1	2079664516	GDBOPYNTSBUWLX-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC1(CCC[C@]2(N)CCC[C@H]3CCCC[C@H]32)CC1	2081121593	GJBMABMMAYJXRL-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC1CCC([C@]2(N)CCC[C@H]3CCCC[C@@H]32)CC1	2081132724	LXYSUGUSQPJINJ-QTPCEWDRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2CCC[C@H]3C[C@H]32)C1	2082983072	PJTDIVFFRGPNSI-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N[C@H]2CCCCCC23CC3)C1	2085309001	WXILQDPDCDPYAH-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C/C=C/c2ccccc2)c(C)s1	2211660891	BLKFGGPUPRKMJQ-RMKNXTFCSA-N	228.360	4.621	0	10	BJAE	
CCCCC[C@@H](NC)c1sc(C)c(C)c1C	2211703490	YGRJJOOKEMKNBJ-CYBMUJFWSA-N	239.428	4.514	0	10	BJAE	
C[C@H]1CC[C@@H]([C@H](N)CCCCCCC2CC2)C1	2213573854	MIDWLMVKQPOXOG-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CCCCCCC1CC1	2213579298	DKZNZVJXQKKELG-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
Cc1csc([C@@H](N)C2=CCC(C)(C)CC2)c1C	2213644620	IDJAYTPZQWKNMB-ZDUSSCGKSA-N	249.423	4.501	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)CC(C)(C)C	2214583676	OVKYWCADGFYSCH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H]1C)C(C)(CC)CC	2214955116	LBDSVTGIIZGJKQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1(CC(C)(C)C)CC(C)(C)C1	2217130938	QQIRSGJLRBOEPO-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NCC1([C@@H](C)C(C)C)CCCCC1	2217155169	AALASFRRIHNGHX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C=C1CCC[C@@H]2CNCC[C@H]12)CC	2218420278	IPNXCICRSDEEEG-DJIMGWMZSA-N	249.442	4.539	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@]12CCC[C@H]1C2	2218725269	JFLAKPTWARLTAO-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC=C[C@@](N)(CCCCCCC2CC2)C1	2218725639	MZRXUZAPZIWYIO-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C)c(CC=Cc2ccccc2)c(F)c1	2219078111	JWFYVLJBHQZFLR-UHFFFAOYSA-N	240.321	4.698	0	10	BJAE	
CCC(C)(C)C[C@H](C/C=C/c1ccccc1)NC	2219080473	HZOJALAFJXABMD-YHVDPYDOSA-N	245.410	4.504	0	10	BJAE	
CC(C)[C@@H]1CC=C(C[C@@H](N)C2CCCCC2)CC1	2220288221	GNJGREXTVVJROY-NVXWUHKLSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC1(N)CC2(CCC(C)CC2)C1	2220875790	FVFWVNTXOCQELV-YTVKCJQUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)c1ccc(C2CC2)cc1	2220959228	KAMHNJCDUFTCRU-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CCC1(CN(C)C[C@]2(C)CC=C(C)CC2)CCC1	2221596995	HBCMVTCCEVSGQD-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC1=CC[C@@](C)([C@H](O)C2=CCCCCCC2)CC1	2221627001	APXYYHMNZREBPF-IAGOWNOFSA-N	248.410	4.764	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC[C@@H]2C[C@@H]2C2CC2)CC1	2221646984	YQFVMQYMSHRFPY-INMHGKMJSA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](c1c(C)cccc1C)[C@@H](C)C(C)(C)C	2221997302	USANUWDHODHJHX-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NC[C@@H]2CC=CCC2)C1	2222265551	KEMFELWMYFSYQT-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
N[C@H]1C[C@H](CCCCCCCC2CC2)C12CCC2	2223130743	QBHYBIJSOPVXEJ-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@](CCC1CCCC1)(CNC1CCC1)C1CC1	2223594938	AUBSXZGOCRXOOL-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H](C)c1ccc(C)cc1	2223962813	AAZBHFVDEWBJRL-HNNXBMFYSA-N	244.378	4.804	0	10	BJAE	
CCC1(CC(=O)[C@@H](C)c2ccc(C)cc2)CCC1	2223965315	HTFURJPJYGOVRX-AWEZNQCLSA-N	244.378	4.638	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCOc1cccc(Cl)c1	2243040909	WAEJVTRROISRDH-VXGBXAGGSA-N	238.758	4.545	0	10	BJAE	
CC(C)CCCC(=O)c1csc(C2CC2)c1	2243500901	QBVAFBBQHDPZCA-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H](C)CC(C)(C)C	2244779647	DZWJZFFQSZLUMK-STQMWFEESA-N	226.404	4.844	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)C(C)(C)C	2244844665	DIHUGLMWJTWOHF-KBPBESRZSA-N	227.436	4.602	0	10	BJAE	
CCNCCC=C(C)CC[C@@H]1CCC[C@@H](C)C1	2246700103	QXFNCFIAYNTBRS-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2=CCCCC2)CC1	2247506239	BQMKONPGUIXFCN-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CC=C(C)[C@@H](NCCC)c1csc(C2CC2)c1	2248043566	AFJZZYQOSRSLNU-OAHLLOKOSA-N	249.423	4.632	0	10	BJAE	
N[C@H](CCCCC1CC1)c1csc(C2CC2)c1	2248061825	ULURMAMKUSJICA-CQSZACIVSA-N	249.423	4.596	0	10	BJAE	
CC(C)(C)c1coc2c3c(ccc12)CCCC3	2248974933	IGZHBWOLVOQRHF-UHFFFAOYSA-N	228.335	4.609	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H](CC)CCC	2250359538	SEVQNJIEDOEANP-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CCC[C@H](CC)CNCC[C@H]1CCC[C@H](C)C1	2250381140	LFOXFPHJDQGMKA-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)C1CC=CC1	2250480090	BQXLCGPANGDTRX-ZBFHGGJFSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](CN)C1CCC1	2250495238	GHYLWSQMFXNNJT-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
CCC1(N)CC(=CC[C@H](C)CCCC(C)C)C1	2250512737	AFWMJRLOEQJUEI-IURRXHLWSA-N	237.431	4.667	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@]12CCCC[C@H]1CC2	2251213667	ZNRDFADEDFXMBO-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](C[C@@H]1CCCCC12CC2)C1CCCCC1	2253791024	GXVYQIHAUWTVIG-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H](CC[C@H]2CCCCC23CC3)CCN1	2253849708	CTJRLDAVBVOHOS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1CC2(CCCC2)C1	2254078469	WBJXLQLGXLMOPF-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C1(CC2CC2)CCC1	2254590593	XDAGLSXGYZBDEG-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCC[C@H]1C[C@@H]1C)C1(C)CC=CC1	2254591947	ZPIUICAMPBOVNJ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)C[C@@H]1CCC12CCC2	2255027294	KWHRCLAIOVTWNB-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CNCCC1=CCCCC[C@@H]1C[C@@H]1C	2257253587	CPYXJLJTYXYBHA-USXIJHARSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@@H]1C)[C@@H]1C=CCCC1	2257298736	AAEQNSZLOIKSKY-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@](N)(CCCCC[C@@H]2C[C@H]2C)CCC1	2257307398	MTGXKEDJMSBGNL-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
CCCC1(CNc2cc(C)c(C)c(C)c2)CCC1	2258235011	DWTIUGBWQOSSLT-UHFFFAOYSA-N	245.410	4.994	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1CC(=C2CC2)C1)NCC	2259452851	INLOMZXEYUUJCW-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](NC)[C@]23CCC[C@@H]2CC3)CCC1	2260493079	RSWLOLHXXZVIGD-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Nc1cccc(C2CCCC2)c1	2260717613	YWEWDZOTKZWZKR-DYVFJYSZSA-N	243.394	4.945	0	10	BJAE	
C[C@@H](C[C@@H]1CCNc2ccc(F)cc21)C1CCC1	2261340563	WZGBOPQYEDXBGH-AAEUAGOBSA-N	247.357	4.551	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)CCC1CC(C)C1	2261491726	SLJFOPZCMYLQHQ-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CC=CC[C@H](C)c1ccc(Cl)c(C)c1	2296095237	PEGHLUSIGDGKBT-JTQLQIEISA-N	208.732	4.718	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@]1(C)C[C@H]1C	2300459282	NVVWDNOCAWYDEN-CJNGLKHVSA-N	231.383	4.576	0	10	BJAE	
CCC(CC)CC[C@H]1CCCNC12CCCC2	2300701058	PCBHDBHGSPOBJG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(=CC[C@H](O)[C@H](C)C(C)C)CCCC(C)C	2300870436	URFKTEIDSUUEJP-CVEARBPZSA-N	240.431	4.802	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@H]1CCCC(C)(C)C1	2300871665	HVAAIISKZXXPPX-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)N(C)CC=C(C)CCCC(C)C	2300889654	XIASDKJRZNCXFO-MRXNPFEDSA-N	239.447	4.879	0	10	BJAE	
CCC(C)=CC[C@@H]1[C@H](N)C(C)(C)CCC1(C)C	2300899819	RLDNZKKGIDEODE-KGLIPLIRSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CC=C(C)CC)[C@@H]1C	2300925534	DCFTYQUZQIRHSO-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC[C@](N)(CC=C(C)CCCC(C)C)C(F)F	2300927639	XHXKGNVXJQZGCE-AWEZNQCLSA-N	247.373	4.522	0	10	BJAE	
CCCC[C@](C)(O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301136024	RUMWZLBOVIHSLR-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCC1CCCCCC1)C1CC1	2301148490	VMLVMZFMYIQBOG-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H](C)CC1CC1	2301907294	IERUCFVFKQLMGX-LLVKDONJSA-N	235.346	4.550	0	10	BJAE	
CC(C)CN(C1CCCC1)[C@@H](C)[C@@H](C)C(C)C	2301966744	FBKZFTNRKGUFMC-GJZGRUSLSA-N	239.447	4.568	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)CCCC1=CCCCC1	2302359768	UVQGZUDDSQCZIV-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C[C@@H]1CCC(C)(C)C1	2302723422	SQTAQVDERIVVED-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@H]1CCC(C)(C)C1	2302757881	HCDYRIOZKZNPIO-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1CCC(C)(C)C1	2302875288	GYKRFSFNEVHIBW-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CN[C@@H](CCC[C@H]1CCC(C)=C(C)C1)C(C)C	2303574570	AHUOUHBUGQMAJJ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNCC)CCC[C@@H]1C	2307762897	GUCPXDWINIZWHQ-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)CC1(CNCC)CC(C)(C)C1	2307928970	SCWLCVXSCRTBAD-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@H](NC[C@@H]1C[C@H]1C)c1ccccc1	2308749496	XHRHNGAINITPQN-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
CC(C)NC[C@@]1(CCC[C@@H]2C[C@H]2C)CC=CCC1	2310428030	BVXVAEDSGUBMKF-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C[C@@]23CCCC[C@@H]2C3)C1	2311146867	XPJNYWSRGMZTPE-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C(CC2CC2)CC2CC2)C1	2313704079	HVSVJPDAJXZLKV-WFASDCNBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](c1ccccc1)[C@@H](O)CC1CCCCCC1	2316866512	XHNRXSKWPYTDFG-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
C1=C(CCCNC2(CC3CCC3)CC2)CCCC1	2318580987	RIPHESXMNSUPEC-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)[C@H]2CCCC3(CC3)C2)C1	2319110125	HUOZFHWZIMFMSY-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC1(CN[C@H]2CCCC[C@@H]3C[C@H]23)CCCCCC1	2319328994	LCGCKEFGZIYVHV-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CCC(C)=C(C)C1)C1CCC1	2320329754	VCAZPUAVWMKMAT-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](NC[C@@H]2CCC=CCCC2)CC1	2320373169	OUJCWJRJHLPDQU-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)C1(C)CC1	2320413004	LNHIQIRNYXZZSI-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(C[C@@](C)(O)CC(C)(C)C)c1	2320636795	PNDRIXKEXQQMJV-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1cccc(C2CCC2)c1	2320649577	BHJSOAUWODCAQI-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CCC(CC)N(C)Cc1cccc(C2CCC2)c1	2320670923	DJXGCQKHEWTEMW-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@]23C[C@H](CCN2)C3)CC1	2326628941	WMDXTWDAXIBXNP-KGASUQACSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@]2(C)CC2(C)C)c1	2327679755	AQJRAHDCRRIZRY-RDJZCZTQSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@H](C)C2)c1F	2327777589	HEBQHODGFBYWOY-QWHCGFSZSA-N	249.373	4.940	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1cccc(C2CC2)c1	2328209197	HVGBHPBHXJGCHT-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
N[C@H](c1ccc(C2CCCCC2)cc1)C1CCC1	20558947	ZQAYXGUCMGRIRS-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)c2ccc(C)s2)c1	21501022	CBNOCMNJOLBPNE-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc(F)cc1C	21504809	OZFYRTAMBHXETL-RISCZKNCSA-N	237.362	4.761	0	10	BJAE	
CCCCc1ccc([C@@H](CCC)NCCC)cc1	35582191	XBVXJQSFVLQYSU-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCC[C@H](C)C2)CC1	37252954	LAKTWFHXPNERRM-SLTXQBBLSA-N	237.431	4.514	0	10	BJAE	
Cc1cc([C@@H](C)c2ccccc2)c(O)cc1Cl	75841882	QABZNCCIMHTOCP-NSHDSACASA-N	246.737	4.506	0	10	BJAE	
CN[C@H](C1=CCCC1)C1CCC(C(C)(C)C)CC1	103999756	HGVOYFLSCGEJHC-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)C1CCC(C)CC1	109737565	UURQNMSPBWPPBI-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)c1ccc(C)c(C)c1	111647496	VZTLJBNBZCYTGW-GOEBONIOSA-N	247.426	4.636	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C1CCCC1)c1ccccc1	112392333	FZOIDZIARORJNG-WMLDXEAASA-N	245.410	4.696	0	10	BJAE	
CCCCCCN[C@H]1CC[C@H](C)c2ccccc21	136955152	PNEKYIMGKMTHSG-YOEHRIQHSA-N	245.410	4.795	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@H](Nc2ccc(Cl)cc2)C1	221642808	TWTLMHFWFFFFCR-GYSYKLTISA-N	237.774	4.577	0	10	BJAE	
CSc1ccccc1N[C@@H]1CC[C@H](C)C[C@@H]1C	221824106	ZYZGFIZQFWIEAB-RWMBFGLXSA-N	249.423	4.645	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CCCC2(C)C)c(C)c1	226524219	SGMBCOGOTBRXKD-AWEZNQCLSA-N	244.378	4.621	0	10	BJAE	
Cc1c(N)cccc1-c1cccc(C2CCC2)c1	232216736	MFXRJQGRQLPDDG-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCCC[C@H](CC)c1c[nH]c2ccc(F)cc12	232994529	ZRDCHQFSMOJVAP-NSHDSACASA-N	233.330	4.991	0	10	BJAE	
CCC[C@H](CC)N[C@@H](CC)C1CCCCC1	233347035	OKRYWFIKJUAEJS-GJZGRUSLSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(C)c(C(=O)C2(C)CCCCC2)cc1C	235817875	XOWPYMNZPRRZQL-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@H]2C3)CC1	251275603	DLNIIBRQVTUGAX-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](N)c1ccc([C@H](C)CC)cc1	253269631	ZRDUJIHXVIBQRL-ZENOOKHLSA-N	233.399	4.636	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cccc(C)c1Cl	300905035	QVGIRUYIZAVPTG-NWDGAFQWSA-N	237.774	4.639	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C1CCC(C)CC1	308044180	DTKVVNJQIQVIKI-QDIHITRGSA-N	239.447	4.602	0	10	BJAE	
Clc1ccccc1O[C@@H]1C=CCCCCC1	309134967	CCIWOYLSRUFMKZ-GFCCVEGCSA-N	236.742	4.608	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(N)CCCCC2(C)C)C1	310141721	NDXUTLINGSFSLS-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](O)C1CCCCCC1	310504219	RZPLLZJJLPYVHH-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](c1ccccc1C(C)C)[C@H](C)CC	310795369	CFBGFUQEJNLKKC-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
CN[C@@H](c1cccc(C)c1C)C(C)(C)C(C)(C)C	311157419	LDWMPZOEXGWVBH-HNNXBMFYSA-N	247.426	4.636	0	10	BJAE	
C[C@H]1C[C@@H](CC2(C)CCCC2)Nc2ccccc21	311219326	NOHAEOVAJMYJTH-KBPBESRZSA-N	243.394	4.945	0	10	BJAE	
CCCNC[C@](C)(CC)CCC1=CCCCC1	317389471	FOVBATRFUJWYRK-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CC(C)CCC1(CNC2CC2)CCCCCC1	317785575	QAIRNQHMDGTIPI-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](Nc1ccc(CC)cc1)C1CCC1	322582264	UUEXJQWZGDMWJN-INIZCTEOSA-N	231.383	4.630	0	10	BJAE	
CC(C)C1CCC(N)(CC2(C)CCCC2)CC1	383492134	BAQQYFFJDVQUSB-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCNCC1([C@H](C)CC(C)C)CCCCC1	383903272	NXNZAGSGFBWONF-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc([C@H](O)CCC2=CCCCC2)c1C	386348779	YBEQBAMSZQSSOK-QGZVFWFLSA-N	244.378	4.617	0	10	BJAE	
CCC1(C[C@H](N)C(C2CCC2)C2CCC2)CCC1	386443140	BWXMVQBIQDAXTQ-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)c1ccccc1C(C)C	386684732	YVBICTONXNZSLU-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
C[C@H](Nc1ccsc1Cl)C1CCCCC1	387251743	QHIABCCKOJZZLV-VIFPVBQESA-N	243.803	4.782	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H]1C[C@H]1CC(C)C	387963986	DSGCTGKNZMGGRI-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CN[C@@H](CC)c2ccccc2)CCC1	391770693	DRLIZIAIRWRFOT-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NCCCC1CCCCC1	395174036	NYQPLNXSAPHNSD-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCOc1ccc2cc(Cl)sc2c1CC	396197885	ZFZAPZKVRBWJHP-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc2cc(C(F)(F)F)sc2cc1F	396292859	FRZOWWNFADRYAQ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)C1CCC(C)(C)CC1	400469052	PNNRPKMVLILLHE-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C1CCCC(NCCC(C2CC2)C2CC2)CCC1	400812791	XPOGVXDVULRWPS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1NCC1=CCCC1	401059434	TYBKRAJBMNXIAI-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
CN[C@@H](CC1=CCCC1)C1(CC(C)C)CCCC1	401097889	DIVMRRVDVGWRLF-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1/C=C(\C)CNC(C)(C)C	401759093	RFSDOAHKQNUBHM-URQVRESPSA-N	237.431	4.537	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)[C@@H](C)CC)c1	689593736	BPEWHIKXKJQKCQ-STQMWFEESA-N	233.399	4.658	0	10	BJAE	
CCCNCC1(CCCC(C)(C)C)CC(C)C1	691459513	LZGLNXNHZSEGOE-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)[C@@H]1CCCC1(C)C	692107146	RISQKBIKDSBCMD-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@H]1C[C@H]2CC[C@H]1C2	697774684	MXBONHXPIUKGJN-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(CCCC=C(C)C)s1	698074393	WKXXFNIBXGSVAP-UHFFFAOYSA-N	208.370	4.599	0	10	BJAE	
N[C@@]1(CCC2CCCCC2)CCCC[C@@H]1C1CC1	704472665	ICTLLNSQFHMWER-IAGOWNOFSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](O)(C1CCC1)C1CC1	705310641	NBJRCRDBNUIWTC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H]1CCCC12CC2	706202430	YIPFEAYKDAIUQU-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C23CCC(CC2)CC3)C1	710264823	ZTCRADHIIPWWMS-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C[C@H](N)c1csc(C)c1)C(C)(C)C	711101682	CVIFPIXESWWFFK-OLZOCXBDSA-N	239.428	4.519	0	10	BJAE	
C[C@@H](CC1(CNC(C)(C)C)CCC1)C(C)(C)C	711160993	XAFYMFGREFPOCA-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](O)CCc1ccccc1C	711305363	ZVEDUXWKWOMNGV-MRXNPFEDSA-N	248.410	4.505	0	10	BJAE	
Cc1cccc(N[C@H]2CC(C)(C)CC[C@H]2C)c1C	713058441	IXTZYBQNDZJCNO-CJNGLKHVSA-N	245.410	4.930	0	10	BJAE	
CNCC1(CC(C)(C)C(C)C)CCCCCC1	713352310	CPOHFQOKYVHEAX-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C\CCCc1cc(Cl)ccc1F	713747810	ZQQZLDCFVXSIRW-ARJAWSKDSA-N	224.706	4.544	0	10	BJAE	
CCCCCC[C@@H](C)NCCCCC1CC1	716325451	IBPPVWDCLJJSGE-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@H](CCCC(C)(F)F)CC(C)(C)C	718574852	MHCGTBZHEYGRGD-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCCCCC1(C)C	719241167	VHHPPNFRYLEQJD-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
Cc1c(C(=O)C2(C)CCC2)ccc2ccccc12	720714116	FYOYKXPCDFLVEE-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)C(C)(CC)CC	721701712	JKPAKMNRMPRNHZ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H](C1CCCC1)C1CC1	723958788	CQVYIIHTCANELX-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H](C1CCCC1)C1CC1	723996501	VZQMVSPCZSHHGB-CXAGYDPISA-N	249.442	4.514	0	10	BJAE	
Cc1cc([C@@H](C)NC2CCCCCC2)ccc1F	1181956059	FPRZEIYUOPAGJL-CYBMUJFWSA-N	249.373	4.508	0	10	BJAE	
c1ccc(SCCCC2CCCC2)cc1	1458817586	HEOHHCZLCOVEPH-UHFFFAOYSA-N	220.381	4.749	0	10	BJAE	
Cc1ccc(CS[C@@H](C)C(C)C)c(Cl)c1	1640954518	BLBRARDUYNATHF-NSHDSACASA-N	242.815	4.926	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNC1CCC(C)(C)CC1	1655696133	FZBDTYSAYFLIGU-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H](C=CCCNC(C)(C)C)C1	1876996624	UJJCEVWXKVSYRE-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC(=O)CCCC[C@@H]1CCC(C)(C)C1	1903414319	BBZLONAQHQMCIN-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCCCCC1=O	1905443596	ILAPDQJFFLTMJS-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CC=CCCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1	1911978246	OPQARDZATPOVDG-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1(CNCC)CC2(CCCC2)C1	1912589343	JBAVOGCSZJIUJW-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C=CC=CCC[C@@H]1CCCCCCCCC1=O	1913380408	IMADDMQFGYSLDJ-OAHLLOKOSA-N	234.383	4.829	0	10	BJAE	
CCCCCC[C@]1(CNC(C)(C)C)C=CCC1	1916385342	IQQGSMJKGICSBY-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCC3(CCCC3)C2)c1	1916428019	SKMXPQHFDFQYQC-HNNXBMFYSA-N	243.394	4.828	0	10	BJAE	
CCC(C)(C)[C@](C)(O)c1ccc(CC(C)C)cc1	1919634992	AROMUXIWQLWPRD-QGZVFWFLSA-N	248.410	4.529	0	10	BJAE	
CCc1ccc(C[C@@H]2C=CCCCC2)s1	1925819450	KPDQVZZODZKFSX-GFCCVEGCSA-N	220.381	4.599	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@@H]1C=CCCCC1	1925892066	QTHLEUMZEZYCMB-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1ccc(NCC[Si](C)(C)C)cc1	1936251705	KYANPLWEZARYAE-UHFFFAOYSA-N	235.447	4.560	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)[C@H](C)CC(C)C	1939046582	LSQOXYREKNMPQB-ILXRZTDVSA-N	227.436	4.616	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)C1(C)C(C)(C)C1(C)C	1940281384	ZMUAVMGFEULCAH-CYBMUJFWSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CC1)C(C)(CC)CC	1940724046	YYSNTZWCEJSBFD-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1CC1(C)C)CCC(C)C	1940871406	CKBMVHQFCRKSES-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@H](CC)C(C)C	1941273164	PLYPTLZSHJBMLQ-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CCCC[C@@H]1C(C)C	1941357263	GQVTWJPJSBYAJA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CCCCCC1CC1	1941575949	QJWVDWVAXQNOJS-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H](C)CCC(C)C	1942663423	ZPGQLSBLWZKFJC-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CCCCC(=O)CC1CCC(C(C)(C)C)CC1	1948423373	QAQNKPYVSNELBH-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CCC(C)=C(C)C	1949047623	UDSDFZJHSJRTBF-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CC1(C)CCC[C@@](N)(CCC[C@@H]2CC2(C)C)C1	1949050475	FHBFKUSWFWIAME-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@@H]1CC[C@H](C)C1	1949527964	DDRITKXSORWMPO-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C(C)(C)CC)CCC1(C)C	1949663556	XNDNDTYYHNAOHY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@]1(CN)CCCC(C)(C)CC1	1950913010	CYVNYEKVGWPMMW-SQWLQELKSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@@H]1CCCC(C)(C)CC1	1950923247	SHRDQNDIRHZXAD-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(OC)cc1CC	1951308759	NBVFXSOWIBEUTG-CYBMUJFWSA-N	232.367	4.717	0	10	BJAE	
CC=CCCc1ccc(OCCCCC)cc1	1951308928	QPAYQQUOKLELHY-UHFFFAOYSA-N	232.367	4.764	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1c(Cl)cccc1Cl	1959204830	ALJILEBLXOQJFI-KWQFWETISA-N	244.165	4.594	0	10	BJAE	
Cc1ccc(NC2CC3(C2)CC(C)(C)C3)c(C)c1	1968255413	WVAXMEZIBAMEHM-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
Cc1cccc(OC[C@H]2CCCC3(CC3)C2)c1C	1968365491	RVXFFBFSDVFPCY-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
Cc1cc(C)c(-c2ncc(C(C)C)s2)c(C)c1	1968572860	RYIGWPYHMDSXDW-UHFFFAOYSA-N	245.391	4.859	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)c1cc(C)cc(C)c1	1969367603	UUKNSUGQYNDOGO-RDJZCZTQSA-N	247.426	4.923	0	10	BJAE	
c1cc(N[C@@H]2CCC3CC2C3)c2sccc2c1	1971686196	QJPVAHQPXZWWSM-KGPNIALWSA-N	243.375	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H]2CCCCC23CC3)C1	1972741042	AKFDCDSYBMQZNR-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(CN2CCCCC23CCCCC3)C1	1972913487	YXNFEEDVIDKVGU-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)C(CC)(CC)CC	1978527786	SJVIVOCKTYGXPS-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC[C@H]1C[C@@H]1C	1989529667	SWVKRDILCRJHFN-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CC[C@H]([C@](C)(N)C2(C)CCCCC2)C1	1995989713	ZTCAHTGCOUFJSL-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](NC[C@]1(C)CC=CCC1)c1ccsc1	1997584995	ATAILAUUNKSJQT-HUUCEWRRSA-N	249.423	4.535	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC1CC(C(C)(C)C)C1	1998258610	NTBQLOYSJCWUAF-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CC1CC([C@H](C)Nc2ccc3sccc3c2)C1	1998649255	HLTHZMSKVWVZON-AKJDGMEZSA-N	245.391	4.748	0	10	BJAE	
CCCC[C@@H](NCCC)C1(C)CCCCCC1	2000390864	RQHXXRDKHGXWDY-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
O=C(C1CCCCCCCCCCC1)C1CC1	2001973525	JKNPQXZBUFWQFW-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(=O)CC(C)(C)C[C@@]1(C)CCCCC1(F)F	2002579917	PKBNWOFMVLVNKM-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CC[C@]1(C)CCc2[nH]c3ccc(Cl)cc3c2C1	2004345734	IJXWWEVLLRRBFD-OAHLLOKOSA-N	247.769	4.726	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C1(C2CCC2)CC1	2004536626	AIMJDSQBUMHYGP-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H]1CCC[C@H](C)C1	2004726089	YAVDTNMWCQVPBK-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@H](C)C(C)(C)C	2007947192	ZELXHSRGWMRTNI-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2CC(C)(C)C2)CC1	2009403960	JAMKDKLYLJFHCY-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@H](CC1CCCCC1)NCC	2009593052	AEDFWXCESIQKEY-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@H](NCC)C1CC(C)(CC)C1	2009621746	JOHSZMUFGHXXKX-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC=C([C@@H](N)C(C)(C)C(C)(C)C)CC1	2010761967	HBBOKMSRPYYREC-CYBMUJFWSA-N	237.431	4.523	0	10	BJAE	
CC=CCCCN[C@H]1CCC[C@@H](CC(C)C)C1	2011444659	VIWFHIHOYLGPOZ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C12CCCC1CCC2	2012127375	KVJGRQSDGZKVMX-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC)CCCC12CCC(CC1)C2	2012836440	MPABBUWPAKAKSW-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](O)c1sc2ccccc2c1C	2014290808	DTWVUCAWFKTNBD-CYBMUJFWSA-N	248.391	4.823	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)C2(C)CCCC2)C1	2014339745	NOCNAKSQBKCNHB-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)C1([C@H](N)C2CCCCCC2)CCC1	2017133805	XIXGSKUBWYSXDC-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)CC(C)=C(C)C	2017461204	GYTAOQQJXSXQBF-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
C[C@](O)(CC1CCCC1)C[C@H]1CC[C@H](C)CC1	2017654246	AWUNTSUDLNJTKJ-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CNC(C)C)C[C@H]1CC[C@H](C)CC1	2017724535	NOTABAJWKZJAEE-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(=O)C[C@H]1CC[C@H](CC)CC1)C(C)C	2017774772	SQAHEZFXJLSMLA-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)CC1(CCC)CC1	2019005312	DACKZPWOPXHART-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@H]2C=CCCCC2)c1	2019496871	YEIOMYLMJOTNAV-HNNXBMFYSA-N	229.367	4.721	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H]1C[C@H]1C1CCCCC1	2022414225	HZSXCVDUMUNDMR-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)N[C@H]1C[C@H]1C1CCCCCC1	2022440524	PPAPQQKFFUCJHD-JYJNAYRXSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1C[C@H]1CN(C)CCCCCC(C)C	2022459880	LXSWNRSRYMZGFT-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC1(CN)CCCCCCC1	2022499685	SETAIGJMMNRIRY-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CCCCC(C)(F)F	2023353226	LAGBFGAJTSCTSC-TZMCWYRMSA-N	249.389	4.746	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1CCCC(C)(C)C1	2024102287	RAXKVEKJEMCBLC-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)C[C@H]1C[C@H](C)CC	2024121911	GATRPHVRRRARRU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](c2nc(CC3(C)CC3)cs2)C1	2026543752	DBWOQIKMNGMLJT-RYUDHWBXSA-N	249.423	4.779	0	10	BJAE	
C1CCC([C@H]2CCN(C3CCCCCC3)C2)CC1	2027027494	ZLCMRWDNZXFNFR-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)c1ccc(C2CC2)cc1	2028590695	LUISNPNRDAWBJU-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CCC(CC)[C@H](O)c1ccc(C2CCCC2)cc1	2031742884	AJDKFPMIGJWMIJ-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CC(C)(C)C1CCC(=C2CCCC[C@H]2CN)CC1	2032226243	UTTPLJGKQUFYNI-MLCCFXAWSA-N	249.442	4.668	0	10	BJAE	
CCN[C@H](C[C@@H]1CC1(C)C)C1=CCCCCCC1	2032426105	DMOPSHYPBRDNOL-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H](NC2(C3CCCC3)CCC2)CC[C@H]1C	2033048866	POVYXQQDXGINIT-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CC(C3CCCC3)C2)C1	2033766887	JQSSFKWVQARLIU-MHABSNSOSA-N	249.442	4.514	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)CC[C@@H]2CCCC[C@@H]21	2034258946	IYCROWFDDCZORD-XIRDDKMYSA-N	248.410	4.598	0	10	BJAE	
CC=C[C@H](C)N[C@H](C)c1ccc(CC(C)C)cc1	2034980253	VECCXDLDBKYTHY-LSDHHAIUSA-N	245.410	4.500	0	10	BJAE	
CC1(c2cccc(NC[C@H]3C=CCCC3)c2)CC1	2035593295	RPUKKGSBIQNVNA-AWEZNQCLSA-N	241.378	4.506	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)C[C@@H](C)C1CC1	2035594628	UUMJHHFQJFMHID-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)C1CC2(CC2)C1	2036199735	IELQTDRRXNAEGI-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@H](N)c1ccc2ccccc2c1	2037124475	JTXZAHZSHUUHNI-IGCXYCKISA-N	241.378	4.522	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)C1CC2(CCC2)C1	2037135347	IFKRGVOACQMFJM-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](N)c2cccc(C(C)C)c2)CCC1	2037142389	KYZCYDVQXLFWFW-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
C[C@@H](C[C@]1(N)CC12CCCCC2)C1CCCCC1	2039010471	ZAYVUWQPNFBCQK-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@](C)(N)C23CCC(CC2)C3)C1	2039871692	GMQRDRUKBOLWHI-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
C1=CC[C@@H](N[C@H]2CCCC3(CCCCC3)C2)CC1	2040762975	KNMGUURFGLCXRG-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C1(C)CC=CC1	2042015479	AMGNYTPYDHNHMG-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H]([C@H]1CCC[C@H](C)C1)C1(C)CC=CC1	2042017388	UGJBYGBBJUMUOK-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H]2C[C@H]3C[C@H]3C2)CC1	2045896730	RISOPPVDCRRQFO-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCCN(C[C@H]2C=CCCCC2)CC1	2046575903	WBBJYJUYKFJDQD-IRXDYDNUSA-N	249.442	4.635	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC12CCCCC2)C1(C)CCC1	2047021807	ZEHFCXBETKJLAO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@]1(C)C=CCC1)C1CCC(C)(C)CC1	2049986097	FPFVCQUHSSJEMA-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NC2C3CCCC2CCC3)cc1F	2050043039	RXTHUEIKRMPFRE-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
Cc1ccc(C(=O)CC[C@H]2CCC[C@@H](C)C2)cc1	2050465731	UZVBKWZALQTIKZ-HUUCEWRRSA-N	244.378	4.784	0	10	BJAE	
CCC1(C)CCC(NCC23CCC(CC2)C3)CC1	2051597298	XCOCFCNAHKGBBZ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCC3(CCCCC3)C2)CCC1	2055553574	AEUGPQGTJKGZED-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H]2C=CCC[C@@H]2C)CC1	2055576992	CELCAYAEUHAGAW-VAZJSPDQSA-N	249.442	4.536	0	10	BJAE	
CCCCCC1(CNC2CC2)CCC2(CC2)CC1	2056520369	AIRRGDPVFXZTQO-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@H]2[C@H]3CCC[C@H]32)CC1	2056534841	UXOCDVPGWAUOBA-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C1(C2CC2)CCCC1	2057599273	UDHIRNYVOONIAX-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(Nc2c(C)cc(C)cc2C)C1	2059393547	HLVGXHPQUXPTIX-UHFFFAOYSA-N	245.410	4.993	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@@H]1[C@H]1CC12CCCCC2	2059469461	JNYVYJIQNOBUQE-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](N)(C1=CCC(C)(C)CC1)[C@@H]1CC1(C)C	2061122048	LKMJLXQJOVTZND-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@H]2CC[C@H](C)CC2)CC1	2061140173	LFUDRGOUKPEPLP-KCYZZUKISA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@]1(CC[C@@]23CCC[C@H]2C3)CCCCCN1	2061573952	BYGOSPIWFOMJKY-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](N)CC2CC(=C3CC3)C2)CCCCCC1	2061729214	UDBRGGQOXQRCHP-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@@H]1CCCCC12CCC2	2062636615	DMZOAFFHWSIEQQ-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H](N)C[C@@H](CC23CCC(CC2)CC3)C1	2065339951	QQLBKSMARHVLLV-VPABYTGTSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2070946118	DRUYVXHYOAVNEV-DRXUAVOGSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C[C@]2(N)C[C@H]3CCCC[C@H]32)CC1	2072806409	LQUNWBIJDQUPEX-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@]23CCCC[C@@H]2C3)CC1	2074023427	CJLJGQMOEHQDFA-DJIMGWMZSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@@]23CCCC[C@@H]2C3)C1	2074031146	XGANCKAABUBWJV-VQHPVUNQSA-N	249.442	4.502	0	10	BJAE	
CCC1(C[C@@]2(CNCC(C)C)CC=CCC2)CC1	2074625502	BHSITSRVJWYANH-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1c(C)cccc1F	2076040381	DRTRWOMZTLGYCS-HNNXBMFYSA-N	249.373	4.531	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@@H]2C2CCCCC2)CCCC1	2079427243	HDHMHUYKLWKQBJ-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2079493184	WDZGYUSZIQAKIM-DUFGSWQCSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2C[C@@H]2CCC)CC=CCC1	2079669648	ICKUXYQGIXFMBV-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
N[C@@H](CC1CCCCC1)[C@@H]1C[C@H]1C1CCCCC1	2079833681	WRLCGMFLUYAPCA-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1cccc(CC)c1	2086042904	ALKHDGRFAVKKAH-RHSMWYFYSA-N	248.410	4.889	0	10	BJAE	
Cc1ccn([C@H]2CCC[C@H](C(C)C)CC2)c1	2211148685	KMAHTNUKBCNGBC-GJZGRUSLSA-N	219.372	4.574	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CCC[C@H]1C	2212632065	YXNLCVBITSTEMO-ZWNOBZJWSA-N	237.774	4.503	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2CC[C@@H]2C)cc1	2215117463	OGGJMCWTKIBZRS-YDHLFZDLSA-N	232.367	4.625	0	10	BJAE	
CC[C@H](C)NC[C@]1(CCC(C)C)CCC[C@H]1C	2217125810	RQLYCKJXBPFSIF-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C(CCCN1C[C@H]2CCCCC[C@H]21)CCC1CC1	2218733957	ZICBFJRANASWLS-IAGOWNOFSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H](C)[C@H](CC=Cc1ccccc1)NCC	2219088153	OBSIQTYZTQYNJE-RDJZCZTQSA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C[C@@]12CCC[C@@H]1C2	2220045136	MJYLSIUSUVRHDK-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2CC3(CCCC3)C2)C1	2221088703	RHEUQIGFKDAKQL-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c(C2(N)CCCCCCC2)c(C)c1	2222003445	AKEOQLLMURVLKN-UHFFFAOYSA-N	245.410	4.510	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@@H]1C=CCCC1	2223124317	YHOWLWCVXLWZFB-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@]1(CNC2CCC2)C=CCCC1	2223591540	CKXFINVLNLCGNT-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@]1(CNC2CCC2)C=CCCC1	2223599779	SGWUBSXCBLYZFO-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1(C(C)C)CCC1	2244782453	MSGBYRCURFRJFQ-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC(=O)C1CC1	2244848171	YLRFBPSJNXOHHA-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC1CC(C)(CC(=O)C(C)(C)C2CCCC2)C1	2246522885	MTNLHZDUGVKJDX-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H](N)C1CCCCCCC1	2247310785	NRGAFZFDFKPWHC-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(NC[C@H]2CCC23CCC3)cc1Cl	2247394121	LVKPVIVCBFOXPS-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CCC(CC)[C@H](N)c1cc(C)c2sccc2c1	2248556224	VSYZCWONWPRXRZ-AWEZNQCLSA-N	247.407	4.646	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](C)(N)C1CCCC1	2248856072	VANARBMVLMOMMK-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCCC1(C)CC1)NCC	2250360081	GLLKOJMXCUNBJC-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C(=O)CCCCC[C@@H]1C[C@@H]1C	2250363763	BOXUJSVUJRNPHY-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(C)c(CC)c1	2250390827	UALDMHLWFNZYTO-AWEZNQCLSA-N	233.399	4.796	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@]12CCCC[C@H]1CC2	2251128174	PSXKQWNIYOMUEX-DZKIICNBSA-N	236.399	4.598	0	10	BJAE	
Cc1scc(C(=O)C[C@@]23CCC[C@H]2CC3)c1C	2251194463	JHHNOEPIUYBLLF-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CCCCCC[C@]1(N)CC(C)(C)CCC1(C)C	2251659148	LJDVIXFTJNCWNN-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CC(C)(C)CCC1(C)C	2251665684	MHWAYKOVHWDFHY-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCCC1(CN(CCC(C)C)CC(C)C)CC1	2252639280	DHMAYGACNUVSFK-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCN[C@@H](CCC1(C)CC(C)C1)c1ccccc1	2253658484	PGXFQOCCPUDPLC-WIHSUSGWSA-N	245.410	4.554	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@H]1CCCCC12CC2	2253797597	YHXOANRHIMGXRU-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CC[C@H]3CCC[C@H]32)C1	2253926424	ADEYGCJEQVUSOX-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)CC2CC3(CCCC3)C2)CCCC1	2254112713	GVBGSAPEFUTVKI-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NCCC1CCCCCC1)[C@@H]1CC12CCC2	2256410167	KFNCJDZBGVPPCK-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCCC1)[C@H]1CC1(C)C	2257082899	ZJWPUJRCQRSFIK-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
Cc1coc(C)c1[C@H](N)CCCCC[C@@H]1C[C@H]1C	2257244711	DLFPQDHXEIOVJI-KCPJHIHWSA-N	249.398	4.503	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1C[C@H]2C[C@H]1C[C@@H]2N	2259614732	OPWDQKOKOUIEHL-IWCQGFGOSA-N	249.442	4.523	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCNC2(CC2)C1	2259615842	RSGCPLWITQEZEY-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CC1CC([C@@H](N)CC2=CCCCC2)C1	2261198217	OBPLPMCLQPTMBM-GPANFISMSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H]1[C@@H](CC2=CCCCC2)CCC1(C)C	2261423463	BOSLEQBFELQMBK-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@H]1CC[C@@H](CC)C1	2300700973	ONACLDFPRMHHOJ-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@H]1CC=C(C)CC	2300926416	LQOUVWXQHYXAHY-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)c1ccc(Cl)cc1	2301289015	NQPFPVHZWRVXTB-LBPRGKRZSA-N	245.753	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)C(C)(C)C1CCCC1	2301827281	AEZUTOSBVQFJDJ-QWHCGFSZSA-N	238.415	4.700	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CC(C)(C)[C@@H]1C)CC(C)(C)C	2302165017	XBTACBPULVQDLL-UPJWGTAASA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@@H]1CC(C)(C)[C@@H]1C)C(C)C	2302168722	HSHMPQDBBIGEJQ-HZSPNIEDSA-N	238.415	4.556	0	10	BJAE	
CCCC1CCC(CC[C@@H]2CCC[C@H]2N)CC1	2302664826	OYHOBOMIQCMBRA-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@@H]1CCC(C)(C)C1	2302688815	AHRKKUPIDDNCNL-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC1CCC(C(=O)C[C@H]2CCC(C)(C)C2)CC1	2302748989	SIWSIOCMKQFUOL-ROKHWSDSSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CN(C)CCCC1(C)CC1)CC(C)(C)C	2303257773	ZNCYZQOBCLQXDW-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCCC(CCC)NC[C@H]1CC[C@H]1C(C)(C)C	2303404803	GKPVXCXDRVSZRE-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CCC1(N)CCCCC1	2303463345	ZCJKQYWSNQNXAM-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
C1=CC[C@H](c2nc([C@@H]3CC34CCC4)cs2)CC1	2304496957	HWINCFVPPOSQSE-RYUDHWBXSA-N	245.391	4.624	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)C1(C)CCCC1	2307902580	LQYAGVWJZZWMJY-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@@H](C)CC1CCC1)CC2	2313646545	ZOKUFBUPWDTHKS-BBRMVZONSA-N	243.394	4.548	0	10	BJAE	
CC(=CCNC1CCCCCCCCC1)C1CC1	2315273460	SYDJRBYMPPIXCT-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cc2ccccc2o1	2316248868	TXHDREYVVVDDEO-CQSZACIVSA-N	245.366	4.649	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@]12CCC[C@H]1CC2	2316509809	QVVPFAKHVXDNEH-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@]12CCCC[C@@H]1C2	2316873409	GNYAOHKUIHZBJP-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@@H]1CCC1(C)C	2317903191	CISTZOSLZNYXPV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)CCC2=CCCCC2)C1	2317965606	ZMHIFHJOWHAHFR-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1[C@@H](C2(N)CC3(CCCCCC3)C2)CC1(C)C	2318280476	RTVZQMKBSZTMQF-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC(CC[C@@H]3CCCC[C@@H]3N)C2)C1	2318803829	NVFUSZQEYNBUEU-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)C2CCC3(CC2)CC3)C1	2319107563	DBKGTMBVJOQKCT-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1NC1CC2(CCCCC2)C1	2320143198	GYABXJNGCIMLAL-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@H](N)[C@]1(C)CC=CCC1	2320244188	QNZNANAHAPWGEP-KLZNWCGWSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(O)CCCC23CCC3)CC1	2320339373	DFLDFNBXNSUOKT-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@]1([C@@H]2CC2(C)C)CCC(C)=C(C)C1	2320388179	NQKKECFVASGUSM-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C[C@@H]1CCC(C)=C(C)C1	2320391318	SEMMAIQDCMWTKC-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CCCC(C)(C)C2)CC1	2320415248	YTPBJIBRKLZQMJ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CNc2cccc(C)c2F)CC1	2320418417	BAXARYQFWSKFLV-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](C)C2CC(C)(C)C2)c1	2321094126	ULTMZWJWPXXQKF-NSHDSACASA-N	249.373	4.625	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C12CC(CC(C)C)(C1)C2	2321590012	OOHHFNBGPSDENL-GTPINHCMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CCC2(CNC3CCC3)CC2)C1	2321618159	BHZWVPBAAVOJOG-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@H]2CC[C@@H](C)C2)c1	2327674230	YYARLIVZUXCLGR-HACGYAERSA-N	246.394	4.588	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](N)c1cc(C)ccc1C(C)C	2327700533	BVFNPLLYNPTTEC-UNEWFSDZSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1CCc2ccccc21	2328098075	RQJAOUGCMMDHTD-CJNGLKHVSA-N	244.378	4.502	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CCNc2ccc(F)cc21	2328275692	IUFVTNXKVGACMA-CHWSQXEVSA-N	249.373	4.941	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cc(C)ccc1F	20471604	BYXLLKXIZUCLRF-WCQYABFASA-N	237.362	4.761	0	10	BJAE	
CCCCCc1ccc(N[C@@H](C)C(C)C)cc1	21019422	DWAHINSTMWJMRI-AWEZNQCLSA-N	233.399	4.876	0	10	BJAE	
CC1CCC(SC2CCC(C)CC2)CC1	34330558	YXZYPVBCEZCIOQ-UHFFFAOYSA-N	226.429	4.877	0	10	BJAE	
CCC(CC)[C@@H](NC)c1ccc(C(C)C)cc1	36819894	BLIXFCYPCMSPRA-MRXNPFEDSA-N	233.399	4.507	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccccc1OC(C)C	37125953	VNSMFIYWDALTDB-CQSZACIVSA-N	249.398	4.855	0	10	BJAE	
CCC(CC)N[C@H](CC(C)(C)C)c1ccccc1	37128582	YNPBSKAGNRAUAO-MRXNPFEDSA-N	247.426	4.942	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(C)c(O)c1C	37130467	YBAXLEGHTGTUCT-CYBMUJFWSA-N	249.398	4.780	0	10	BJAE	
CC[C@@H](N[C@H](CC(C)C)c1ccccc1)C(C)C	37295199	YFJJSCYSZMRKAH-IAGOWNOFSA-N	247.426	4.798	0	10	BJAE	
Fc1ccc(-c2c[nH]c3ccc(Cl)cc23)cc1	59051545	XRTGRVRPFBPACT-UHFFFAOYSA-N	245.684	4.627	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@@H](NC)C(C)C	70746840	YARZLZSLVBRULF-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
COc1cccc(-c2cccc3ccccc23)c1	80530308	CYEPQNNFZNICLB-UHFFFAOYSA-N	234.298	4.515	0	10	BJAE	
CC(=O)c1ccc(Cl)c(-c2cccc(C)c2)c1	82708693	BSHHCSDZTUJQKN-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CN[C@@H](CCC1CCC(C)CC1)c1ccccc1	85083019	NQNHRXPWEZRBEB-DQPZFDDXSA-N	245.410	4.554	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(CCC(C)(C)C)CC1	87187573	OYKXRDJWPYMTTQ-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](C)c1cc2cccc(C(C)C)c2o1	88073219	SRIOKSBAPMYBIE-LBPRGKRZSA-N	245.366	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CNC)c1ccccc1	88097226	XHRGKQAPWYFWOE-DOTOQJQBSA-N	247.426	4.596	0	10	BJAE	
CCC(CC)[C@@H](C)Nc1snc2ccccc12	90869192	SBNBXTFDXASWFY-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)c1ccccc1	94678403	ADHFPPARZFTUDF-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
CCC[C@H](C)C[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	109665346	AWUPCWUGNNHHLM-XQLPTFJDSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)N[C@@H](c1ccc(C)cc1)C1CC1	109946278	ZXMNLQIYVIBGRP-YOEHRIQHSA-N	245.410	4.614	0	10	BJAE	
CCc1ccc([C@H](C)N[C@H](C)C(CC)CC)cc1	111665719	AQQNQYYPTHNJRC-KGLIPLIRSA-N	247.426	4.724	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C(CC)CC	133440645	PXIRQXPIVJFUDG-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
c1ccc(-c2oc3ccccc3p2)cc1	138776220	AVHNMDUNMLCOQU-UHFFFAOYSA-N	212.188	4.680	0	10	BJAE	
Cc1cc(NC(CC(C)C)CC(C)C)ccc1O	148184275	ONFGPUCVNUHGDL-UHFFFAOYSA-N	249.398	4.573	0	10	BJAE	
C[C@@H](NCC1CCCCC1)C1CCCCCC1	150067561	GMWOHCDLFFTATQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CNCC(C)C)C(C)(C)C	162419408	BQQZHAOEFZCUIV-CABCVRRESA-N	241.463	4.721	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1cc(C)ccc1F	165348115	ANMFIPLIWOKCRK-GFCCVEGCSA-N	236.330	4.533	0	10	BJAE	
CCCc1cccc(C(=O)[C@H]2CC[C@H](CC)C2)c1	165549535	OXSXVMISPCTYOJ-BBRMVZONSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)c1cc(C)ccc1C	167287833	CJPARAGQTBQHCL-SUMWQHHRSA-N	247.426	4.780	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H]1CCC[C@@H](CC)CC1	226517908	RBNOALZHTVHXGN-IIAWOOMASA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CCC2CCCCC2)C1	229456287	TXTIYAJGLQRAJE-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](NC[C@H]1CC1(C)C)c1ccccc1	233021536	GZVOPJRAOXVBGL-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)C(C)(C)CC	233542596	ZFGRNQZGBNIQGA-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1c(C)cccc1C	233913882	TWSATKKWTHJCNA-HUUCEWRRSA-N	244.378	4.703	0	10	BJAE	
CN[C@H](CCC1CCCC1)C1=CCCCCCC1	234471440	BLRBNBIRVNOXEQ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](CCC)CC[C@H]1O	250843552	ZFFYLOJEOBZPAH-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)CCC(C)C)CC1	251914027	XWYYZJOLBCMANH-OAGGEKHMSA-N	239.447	4.760	0	10	BJAE	
CCc1ccc([C@@H](N)CCCC(C)(C)C)s1	300937887	VTVXAYBZUPCHSB-LBPRGKRZSA-N	239.428	4.527	0	10	BJAE	
Cc1ccc(C(=O)CCCC(C)(C)C)c(C)c1	304135948	DBOSTHJVFRVVPO-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
Cc1cc(C(=O)C[C@H](C)CC(C)(C)C)oc1C	304218694	SPBOEBOMLRAARW-JTQLQIEISA-N	236.355	4.542	0	10	BJAE	
CC(C)C(O)(CC1CCC(C)(C)CC1)C(C)C	310377373	GFIWZFBEBFKZSX-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@](C)(O)c1ccc(C2CCC2)cc1	310612733	AENZFSXKBLTEGU-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCC[C@@H](C)C2)cc1C	310728449	CVDNNDMQSSIPGR-IUODEOHRSA-N	244.378	4.703	0	10	BJAE	
CCC[C@@H](Nc1ccccc1Cl)C1CCC1	322752561	BHJVZBVSLMBOPZ-CYBMUJFWSA-N	237.774	4.721	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1CCCC1(F)F	381482548	FRMYEEARNCUCHD-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H]1CCCC1(C)C	383246149	VUOKDENSHXRBQO-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@H]1CCCC[C@H]1C	384513202	UQFNFDAPYZYDTA-FRFSOERESA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H]1CCC[C@H]1C	384856226	MZLKNTDNNYJWKY-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](Nc1ccc(F)c(C)c1)C1CCCC1	387579130	MCDXIQFFHPUZNG-HNNXBMFYSA-N	235.346	4.515	0	10	BJAE	
Cc1cc(O)c(C)c(-c2ccccc2C(C)C)c1	686553859	UPOZUTMHGQKQTF-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CCCC1CCC1	688361568	UWWSOTSHKFHSLM-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CC(C)NC[C@@]1(CC2CC=CC2)CCC[C@@H](C)C1	692163714	GSGJGHRVHDQZBK-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1csc(Cl)c1	696637154	YGYQXQPETOGLTJ-SNVBAGLBSA-N	246.803	4.651	0	10	BJAE	
CCC(C)(C)CC[C@H]1CC[C@H]1CNC(C)(C)C	696805224	HAAZICIMAZFWOW-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCC1(C(=O)O)CCCCCCC1	697580559	IMAYKCXQULUSNO-UHFFFAOYSA-N	238.371	4.548	0	10	BJAE	
Cc1ccc(NC2C(C)(C)CCC2(C)C)cc1	699626064	BVPMSHQMLYOFCN-UHFFFAOYSA-N	231.383	4.622	0	10	BJAE	
CCC(F)(F)COc1cc(C(C)C)ccc1C	704785051	QTUGHIFRYPOTPE-UHFFFAOYSA-N	242.309	4.543	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(N)CCCCC[C@H]2C)C1	704930799	SVQCVSPBXOIMGP-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@](N)(CCC)C1CCCC1	704952422	RCBJYNUVBWGKLG-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)C[C@H](C)CC(C)(C)C	709080642	AGHSDYPEIJZYKN-RRFJBIMHSA-N	241.463	4.848	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(O)CCC2(CC1)CC2	709164029	JXCJLCKMCKJZKM-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C[C@H](N)CCC(C)(C)C)C(C)(C)C	711108536	WHDGBIPMNWESAM-QWHCGFSZSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@H](CC)C(C)(C)C	711184250	JONCWAAVOYTDIG-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](CC(=O)C1CCC(C)CC1)C(C)(C)C	711186287	FZIYIFXRKPNXHX-RUXDESIVSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CCCC(C)(C)C(C)C)NCC	713174410	LFQHOPKJXCOTHJ-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2CCC(C)(C)CC2=O)C1	717530914	HEUUYEUPOLLMOW-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(C)n1[C@H]1CCCCCC1(C)C	718969812	IEZHNUOQZICMQO-AWEZNQCLSA-N	219.372	4.636	0	10	BJAE	
CNC[C@]1(CC2(C)CCCC2)CCC=CCCC1	718997342	OXKDXPUAKNMMSH-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC(CC)c1ccc2sccc2c1	1889480900	JNCGGIOTLSJQJA-UHFFFAOYSA-N	204.338	4.805	0	10	BJAE	
CCCC[C@](CC)(CO)CCC(CC)CC	1900704652	RXYPVCBVQFQAKR-HNNXBMFYSA-N	228.420	4.782	0	10	BJAE	
CCCCCCc1nc(C)c(C(C)(C)C)s1	1901881417	OTAINKOXMBPLIF-UHFFFAOYSA-N	239.428	4.872	0	10	BJAE	
CCC[C@H](CC)C[C@@](O)(CC)C[C@H](C)CC	1905384765	XYLYIVWHCVKWAH-QLFBSQMISA-N	228.420	4.780	0	10	BJAE	
Cc1cc(C(=O)C[C@@]23CCCC[C@@H]2C3)c(C)s1	1909921979	BERKPESZAXSSEK-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
C=CC=CCC[C@H]1CC(C)(C)CC[C@H]1CNCC	1912084389	HTOIAHPEZHWVPV-HOTGVXAUSA-N	249.442	4.561	0	10	BJAE	
CCN[C@H](CCC1CC1)C1CC2(CCCCC2)C1	1912635167	PJPZTPVCXDZTJI-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(Cl)ccc1NC1CC2(CCCC2)C1	1912721587	ZFUVDYYZVPPIDH-UHFFFAOYSA-N	249.785	4.783	0	10	BJAE	
CNC[C@@]1(C[C@H](C)C2CCCCC2)C=CCCC1	1916613341	USLNKRSPUAEGOZ-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CCCCCC1CC1	1920200198	CGGQZOJMHBOYAG-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NC[C@@H]2C=CCCCC2)C1	1925819514	LJNKEPSZBLIAOM-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)C[C@H]1C[C@@H]1C=CCCCC1	1925887172	BESQYLBGNGYYQK-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@@H]1C=CCCCC1)C(C)(C)C	1925887810	CVJFOHWDKCNQQB-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
O[C@]1(C[C@@H]2C=CCCCC2)CCCCC12CCC2	1925918161	RIGGHMQVRQHSLT-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CCC(C)(C)CC	1936197143	HDUNLUZHWQLRER-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)CC1(CC)CCC1	1940789929	HUMVZQFRIQQTNK-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C1CCC([C@](C)(O)C(C)(C)C)CC1	1941144391	MTKQNAGPWJQMCO-ZUEPYMLJSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)C[C@H](C)C1CCCCC1	1941253413	VBTAPUKGTZNEKT-NUEKZKHPSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)C(C(C)C)C(C)C	1942802881	HNNYWVBQJYPYPG-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](NCCC1(C)CCCCC1)C1CCC1	1945419483	DGXNGDSHIUECBV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cccc(C)c1F	1947456267	DAFXNPZDDLQTBF-QWHCGFSZSA-N	235.346	4.515	0	10	BJAE	
CCC(CC)C[C@@]1(O)C[C@@H]2CCCCC[C@@H]2C1	1947842480	JTMITEDIWNIDJG-ZSHCYNCHSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(C[C@H](N)CCCC2CC2)CC1	1948923335	GWQGFWZOVRIWSJ-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1ccc(Cl)c(Cl)c1	1959209039	MXUMODRVGHJJEO-PRHODGIISA-N	244.165	4.594	0	10	BJAE	
Cc1ccc(NC2CC(C)(C)C(C)(C)C2)cc1F	1968320902	STGJEWCVSYHBPL-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
Cc1cccc(NC[C@H]2CCC3(CC3)C2)c1Cl	1969847121	UQDXAICEKXSPFN-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CC[C@H](C)CN[C@H]1CCCC2(CCCCC2)C1	1969980818	JRUAFSVGJQKHAB-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC1C[C@H](C)N(C[C@H](C)CC(C)(C)C)[C@@H](C)C1	1970138908	PFBASYAIUOTXGF-ILXRZTDVSA-N	239.447	4.568	0	10	BJAE	
CN(CCCC(C)(C)C)[C@@H]1CCCCC1(C)C	1970178913	LJBNMHJCSVDLOH-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCCC[C@@H]1C(C)C	1973163760	JIJNXDAVVHMDGK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H](CNc2ccccc2C2(C)CC2)C1	1973423000	RTZCELUVBMKKSA-KBPBESRZSA-N	243.394	4.586	0	10	BJAE	
Cc1cc(N[C@@H](C)C2CCC(C)CC2)cs1	1975978190	CFYVKPOYTOPYBC-YDGIUTOCSA-N	237.412	4.683	0	10	BJAE	
CCCCCC[C@H](O)c1csc(C(F)F)c1	1978582469	LHLNUHZFLXZKKN-JTQLQIEISA-N	248.338	4.690	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)c1cccs1	1980693246	VAXFXGHDPVAUOF-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCCC[C@@H]1CC	1984574609	CNLUTHQTKJOVQA-SVDKCWMDSA-N	222.372	4.518	0	10	BJAE	
Cc1ccc2c(C3CCCC3)coc2c1F	1995498016	IYAJMEWOIVJYGB-UHFFFAOYSA-N	218.271	4.538	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@H](C)C2CCCCC2)C1	1996234959	HTNMJKUMDYQZKL-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CCC(C)(C)CC	2000193294	JKIIORADCYSHQE-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C1(C(C)C)CCC1	2000371288	HEPYHFAOXLWLDP-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(CC)C(=O)OCC	2000641280	COYQSWZGEIUPOY-UKRRQHHQSA-N	242.403	4.572	0	10	BJAE	
CCCCN(C[C@H](CC)CC(F)F)[C@@H](C)CC	2000899670	DKUQABXMLYIXDN-QWHCGFSZSA-N	249.389	4.568	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@H]1CC12CCCCC2	2001258431	FMYDJHBUJCEZQF-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CC[C@@H]1CCC(C)(C)CC	2002877692	VJTVFLXRCYAJDB-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@](C)(O)C1CCC(C(C)C)CC1	2002923053	CGQIABIJSZUABK-AVVWSFFYSA-N	240.431	4.636	0	10	BJAE	
O=C(C[C@@H]1CCC2(CCCC2)C1)c1cccs1	2003689306	ZWVNMCQHUYFCMP-LBPRGKRZSA-N	248.391	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H](CC)CC(C)C	2004228637	PWIDLEMDEOORMF-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](CCCCCC(C)C)C1	2006662792	DLZMXBYBKUJQMH-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)C[C@H](NC)C1(C)CCC(C)CC1	2007692643	DRXOAVCPMMPJAS-SIWZUTFBSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1CC(CC)C1)CC(C)C	2007738331	MTPGTXXHMPGLLO-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C=C1CCCCC1)c1cc(C)sc1C	2007948868	ZLTCJTXPSVSQSM-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CCCC[C@](C)(CCC[C@H]1C[C@@H]1C)CNCC	2011580538	FYTAWPXVIBELLM-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC[C@](N)(CCC(C)C)C1=CCC(C)(C)CC1	2013297356	RXDHYPCNHKTPTM-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC(C)C(C[C@@H](O)CC1=CCCCC1)C(C)C	2015280539	GMRRVNKDVNPNBP-HNNXBMFYSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@@H](C)C(C)C)CC1	2015285200	UOEWITIFBZETBD-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C[C@@]1(N)CCC[C@H](C)CC1)C(C)C	2015403284	ZEUSSMJFEUMYAV-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@H](C)[C@@H]2C)CCC1	2015641129	AHIIBIRCWBBPTN-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@H](N)C1(CC(C)C)CC1	2015755898	XPECANBIZKHRJE-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CC=CCCC[C@H](C[C@H]1C[C@H]1CC)NCCC	2016846239	BAZDKYGERNQHGH-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](NC)C1(C(C)(C)C)CCC1	2017136246	GOYAESBRUWQZJU-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCC=CCNCC1CCC(CCC)CC1	2017658513	NNAGQWZDOQXQQJ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CCC[C@@H]2C)CC1	2017729295	VDUTZNBGDZAGGE-SLTXQBBLSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCCC(=O)C2)CC1	2017776653	RVZBXIQOPBJLAE-NRXISQOPSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@]1(CC)[C@H](CNC(C)C)C1(C)C	2018133127	AIGICINCMIXZTF-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@]12CCCC[C@@H]1C2	2018580081	CORFJHVSSPLDLI-OWCLPIDISA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H](C)N1CCCC12CCCCCC2	2019299778	MJBRJABEMDKTLO-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CCCN(CCC1CCC1)C1CCCCCC1	2020501567	MLOGEBFDYPAXHF-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCc1cc(-c2sccc2C2CC2)ccc1O	2020680418	FYZOBBKOSPXLRN-UHFFFAOYSA-N	244.359	4.561	0	10	BJAE	
CCCC1CCC(O)(C[C@H]2C[C@@H]2CCC)CC1	2022448671	PVSXEYKIZDUFIO-PWUWZPNHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CCCCCC1(C)C	2022563817	SMWVERAJTFSEPT-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
Cc1cc(CNC(C)C)sc1C1=CCCCC1	2023676363	DHLPQOOOYZHIMM-UHFFFAOYSA-N	249.423	4.512	0	10	BJAE	
CCCN[C@H]1[C@@H](CCCC(C)C)CCC[C@H]1C	2024000953	NPAFKSJEGATGBI-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C)CCCC1CC(C)(C)CC(C)(C)C1	2024090954	DAPDHUHCRIFEHH-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)C[C@H]1CCCC(C)(C)C1	2024097175	XCABVPQDPZBOHJ-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C[C@@H]1CC(C)(C)CCC1=O)C(C)C	2024124060	OBPPRTYSIRTYBG-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H](O)[C@@H](CC2(C)CCCCC2)C1	2024146160	INMKNTCMOYLTSN-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@](N)(CCCCCC2CC2)C1(C)C	2025004757	UKBQUWSPUZECAM-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CCC[C@H]1C	2026081659	XJIRJHFRKQTSAK-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
CCNC[C@]1(CCC2CCCC2)CC=CC[C@@H]1C	2027927240	VRGAAGBZHSKCIV-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCC1([C@H](O)c2ccc(C3CC3)cc2)CCCC1	2028592191	AOLRIHAHIMQDFX-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCc1ccc([C@H](NC)[C@@H](C)CCC(C)C)cc1	2029838485	SMGPGSOLQGZSCS-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
Cc1coc(C)c1[C@@H](N)CC1CCC(C)(C)CC1	2035532923	ILLOQCLCIDAQPC-AWEZNQCLSA-N	249.398	4.503	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](C[C@@H]2C=CCCC2)NC)C1	2035599821	JWRSKGBJMOZKRP-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@@H]1CCCC[C@@H]1C	2037050530	AEOALBOLUDQBQZ-LXZKKBNFSA-N	245.410	4.636	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2C=CCCCC2)CC1	2037272679	CPABZRDIFAGDQH-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@@H]2CCC3(CCCC3)C2)C1	2037586185	QGXXEGQIEGQVIG-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H](Oc2cccc3ccccc23)C1	2037683469	SNTZAVPOGIGDOC-AWEZNQCLSA-N	240.346	4.797	0	10	BJAE	
CN[C@H](CC[C@H]1C=CCCCC1)CC1CCCC1	2038111370	ABZIZMZAAULMRA-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CC[C@@H]1CC1(C)C)C2	2038939215	AEYCLDSMYVIXBF-FBZFNHGYSA-N	249.442	4.501	0	10	BJAE	
CC1(CCNCC23CCC(CC2)C3)CCCCC1	2041250146	BEZMMNNWNPXUHR-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H](CCCC(C)C)c1ccccc1C1CC1	2042290554	OAQNUZJCYPCTCP-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1CC[C@H]1N[C@H](c1ccccc1)C(C)(C)C	2043675032	CQJYHATXGHJLJX-FVQBIDKESA-N	245.410	4.552	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CCC=CCCC1)C1CCC1	2045315803	XRHGZZDPVPRTLZ-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
CC1(CNc2cccc3ccccc23)CC=CC1	2047725378	BPYJISYGCPYWCJ-UHFFFAOYSA-N	237.346	4.608	0	10	BJAE	
C[C@](N)(CC1CCCC1)CC1[C@@H]2CCCCC[C@@H]12	2048447277	STRBRDCXUHMPDK-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)C[C@H]1CCCC2(CC2)C1	2049846511	TXJJTVOVMPBOJQ-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
C[C@H](C[C@H]1CCCC2(CC2)C1)c1cccc(N)c1	2049860200	RVCFNBUQISJGSM-ZIAGYGMSSA-N	243.394	4.733	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)c1cccc(C)c1	2050429382	YLIWPKQOEYANOH-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2C[C@H]3CCCC[C@@H]32)CC1	2051600733	YBIKJDMLYOYKDR-SFOJROILSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCC[C@@H]3CC[C@H]32)CC1	2052287987	GOOJMMDQWFFRGB-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H]2C=CCCC2(C)C)C1	2055536108	MIYQVUKVXLDAMA-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC=C(C)[C@@H](C[C@@H](C)c1ccccc1)NCCC	2056776446	MAVSUAYBVYCXMK-NVXWUHKLSA-N	245.410	4.515	0	10	BJAE	
F[C@H](C=C1CCCCC1)c1cccc2c1NCC2	2056884898	XXLLDTUBISOPJX-OAHLLOKOSA-N	245.341	4.556	0	10	BJAE	
C[C@@H]1CC=C([C@H](N)[C@]2(C)CC[C@H](C)C2(C)C)CC1	2060923739	ZTGPGWSAHGCRKU-RMRKRWHISA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)C2(C)CCCCC2)CC1	2061093035	VDAOETKOOHMTCL-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(O)CCC23CCCCC3)CC1	2061094076	CSQAQLSZISNUBK-RHSMWYFYSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCCC[C@@H]2C(C)C)CC1	2061112264	DQCBQZLTFMIIKH-DJIMGWMZSA-N	249.442	4.667	0	10	BJAE	
C[C@H](C(=O)CC[C@]12CCC[C@H]1C2)C1CCCCC1	2061608035	UZAFGYSLRIEOFQ-QRTARXTBSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CC1CC(=C2CC2)C1	2061696587	RONYNWVXILUTAZ-JKSUJKDBSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNC1(C2CCCCC2)CCC1	2062642055	NITKNFYYJSEELB-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC(C3(N)CCCCCCC3)C2)C1	2063797308	JCLWYWOWLHYSOF-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc(NC2CC(CC(C)(C)C)C2)c1	2067982872	LIYBEHBCBWWCOA-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068711221	QZWNJWWYMKQSMX-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2068775120	XCZAXWMULPVJNL-AQRZSSMZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C[C@H]2CC23CCC3)CC1	2069188437	CRHWLEAUUORTBQ-HOCLYGCPSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@]2(N)CC[C@H]3C[C@H]2C3(C)C)CCC1	2069343895	DWTPSRUHHKQMDZ-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)C12CCC(CC1)C2	2070414612	VOYQLHJCNXBIOH-JUVOFCAFSA-N	249.442	4.680	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C[C@@H]2C=CCCC2)CC1	2072697987	YDNVVFDGOYJGEV-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2CC(=C3CCC3)C2)CC1	2072878814	MSDYMZZNOQWOAU-JOCQHMNTSA-N	246.394	4.662	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(C(C)(C)C)cn1	2073294922	SQYJHNYZARRLST-AWEZNQCLSA-N	248.414	4.760	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CC=CC23CCCCC3)C1	2074894873	FFQQAPRXARPAAL-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)Cc1ccc(C)c(C)c1	2074921955	KZQGBVUFRFTQIY-OAHLLOKOSA-N	247.426	4.560	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCC=CCCC2)C1=O	2076449526	GVLUQHGOXRHKPB-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
C1=CCCC(CNc2ccccc2C2CC2)CC1	2077262815	YGKJUVBURBBKGX-UHFFFAOYSA-N	241.378	4.722	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CNc1cccc(C2CCC2)c1	2079623729	IOMYXOXPIXCSHA-RDJZCZTQSA-N	243.394	4.658	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1cccc(C2(C)CC2)c1	2079648972	DEQNWGPDMVUVAC-UONOGXRCSA-N	243.394	4.586	0	10	BJAE	
CCC1(NC[C@H]2C[C@@H]2C2CCCC2)CCCCC1	2079649794	GUTIJEOFHSKOOB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)c(-c2cc(Cl)cs2)c1	2080280844	FXYXBJUQFOMWJR-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC1C2(CCC2)C12CCC2	2083577744	ALBQNPSSFXNIBF-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@]2(N)C[C@H]3CCC[C@H]2C3)CC1	2086167570	GAIUNPLYNPGPJZ-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CCCCCCC1CC1	2213574649	WKPZJIYFNVZGHQ-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CC(=O)[C@H](CCCCCCC2CC2)C1	2213578264	KEJKOWBOMDCSCI-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](C(=O)CCCCCCC1CC1)C(C)(C)C	2213579825	ICRPBJFENOMLFL-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
Cc1ccn([C@H]2CCCCCCCC2(F)F)c1	2214615048	IEZWFDOUDUARCR-ZDUSSCGKSA-N	241.325	4.717	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](O)C1CCCCCCC1	2215235187	AUUMZLYQGLGQKJ-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](O)C[C@@H](C)CC(C)(C)C	2215237333	OZCVTOSACKVDPF-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC(C)(C[C@H](O)C2(C)CCCCC2)C1	2215376340	AMOCDHHIOIWILG-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC[C@H]2CC2(C)C)CC1	2215823769	MPQXQDAFQYZGBN-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1c(C)cccc1C	2215999577	SAIAIUQHHDUKDE-AWEZNQCLSA-N	232.367	4.558	0	10	BJAE	
CCCC[C@](CC)(CN[C@H](C)CC)C1CCC1	2217152581	GASZCTIHJRTUAO-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@@]1(CN[C@H](C)CC)C=CCCC1	2217153549	MTQDEPSLMDSWJX-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218327358	INMVGERDTJYXQF-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@](O)(CCCCC1CC1)c1ccccc1	2220038800	HJSDVCFLAQCTDH-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
N[C@@H](CC[C@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2220298653	JZXRTOWYKSIJDB-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@]1(CNC2CCC2)CCCC12CC2	2223606813	OYTRPBIJQHQGGF-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1cccc2ccoc12	2224196969	YJRVJIPEKBDLBR-IUODEOHRSA-N	246.350	4.539	0	10	BJAE	
CCC[C@@H](C)Nc1cccc(C(C)(C)C)c1	2244154783	ZMHVALMBHLSRSC-GFCCVEGCSA-N	219.372	4.585	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@H](CC)CCC	2244782859	JABPEYZZGOACBW-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](CC)CNc1cc(C)cc(C)c1	2244801122	PYTINYRYQNUVMC-AWEZNQCLSA-N	219.372	4.542	0	10	BJAE	
CC[C@H](N)[C@H](C)CC[C@@H](C)CCCC(C)C	2244846091	YEQNGBQDNTUIGZ-ZNMIVQPWSA-N	227.436	4.602	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@@H]1CCCCC12CC2	2246615951	ZAJMXWMLQWTZNC-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
O=C(CC[C@@H]1CCCCC12CC2)c1ccsc1	2246628250	WYXRLZFHCWTSPZ-ZDUSSCGKSA-N	248.391	4.681	0	10	BJAE	
CCCN[C@H](CCCC[C@@H]1C[C@H]1C)[C@@H](C)CC	2247175207	IOVCTUVETXZOLH-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N(CC(C)C)C[C@@H]1CCC1(C)C	2247378655	PFHWHHJORFOZQJ-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CCC1(C)C	2247397161	GTCHHGQIQQHANG-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@@H]1CCC12CCC2	2247414976	HQXSIEBPFYBMPO-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)[C@@H](CC)CCC	2250357194	USKRLHQDCYFBHP-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1(C)CC2(CCC2)C1	2250371290	KXNAXRUMUVNHOV-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)CCNCCC(C)(C)C	2250489615	AGCRGLQMNIQYDV-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
C[C@H](CC(=O)C[C@@]12CCC[C@@H]1CC2)C(C)(C)C	2251199994	CUBWCKJVFZPTMT-IOASZLSFSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H]1CCNc2ccc(F)cc21	2251638332	VCIMZIISLIVRGE-LBPRGKRZSA-N	235.346	4.551	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)CC[C@@H]1CCCCC12CC2	2253792192	KCUYCGYUAWAJJE-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(C(=O)CC[C@@H]2CCCCC23CC3)C1	2253847544	BAIMJEOGJYSAQW-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CC1=C[C@@](O)(CC[C@@H]2CCCCC23CC3)CCC1	2253890076	ORCIUKXCPGTCJX-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
Cc1coc(C)c1[C@H](N)CC[C@@H]1CCC[C@H](C)C1	2253922137	WYDZKBZJEOPNQK-TUKIKUTGSA-N	249.398	4.503	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)C=CCC(C)(C)C2)C1	2253926453	AEUCRLXOKKJGGP-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@H]2CCC23CCC3)C1	2254022316	RSLJGTAFNKOVRV-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC1CC2(CCCC2)C1	2254072155	MWDATFQSLZWICF-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@H]1C)C1(C)CC=CC1	2254591946	ZPIUICAMPBOVNJ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC=C(C)c1cc(CNC(C)C)cc(C(C)C)c1	2254723668	RJAJKMWPGGIIEU-UHFFFAOYSA-N	245.410	4.731	0	10	BJAE	
CCC(CC)[C@@]1(CNC2CCC2)CCC12CCC2	2254863139	SEFXVXBIMVTFSB-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CN(CC1=CCCCC1)C1CC(C)(C)C(C)(C)C1	2255051807	BTDOXNBRDWKTIQ-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CC1CCC(C[C@H](N)C[C@@H]2CCCC23CC3)CC1	2255229680	RYXFOJWHSUGVFP-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1CCCC12CC2)CC1(C)CC1	2255245770	MLABGFFOUNBYEV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1cc(C)c(C)c(C)c1	2258243335	XJEVLYILRFAMOJ-RDJZCZTQSA-N	245.410	4.993	0	10	BJAE	
Cc1cc(N[C@H]2C[C@@H]3CCC[C@@H]3C2)cc(C)c1C	2258245330	MIAREEVPYLTNTG-SCAQPMJSSA-N	243.394	4.602	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cc2cc(C)ccc2o1	2259463125	KYWYZVJTFXWUAD-WBMJQRKESA-N	245.366	4.567	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](C)c1cc(C)ccc1C	2259463761	OEFFSZVVENZGQU-HZPDHXFCSA-N	247.426	4.780	0	10	BJAE	
C1CCCC(CNC[C@@]23CCCC[C@H]2CC3)CC1	2260546850	QCTHXXUWDCIJMM-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CCC1CCC([C@H](N)C[C@@]23CCC[C@@H]2CC3)CC1	2260599242	DMGXAKRFJRSOPS-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(CNCCC2=CCCC2)C1	2261189842	BVAWQZMOLUMBCT-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCCC=CCCCCCCCC(=O)OC	2293805757	RWIPSJUSVXDVPB-UHFFFAOYSA-N	240.387	4.637	0	10	BJAE	
C[C@H](CC1CCC1)[C@@](C)(O)C1(C)CCCCC1	2298848583	JACWYBNMSOHHCE-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@H](C)CC1CCC1	2298939888	QSVSXADXTGVNMX-FVQBIDKESA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CC12CCCCC2	2300503547	NOOKZSFMNWVGLO-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CC[C@H]1C[C@@H](N)CC2(CCC2)C1	2300677293	XZKAPBMZMQIZAA-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](N)C(C)(C)C1CCCC1	2300681055	KUZYNMNLQXPHTP-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)CCC1CC1	2300683520	KNNYEBDTEZZNKY-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@H](N)C1CC2(CCCC2)C1	2300685806	JECHHHAXUGEIGW-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCCCC1(F)F	2300702892	ZZVIBNCQTFJXFT-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CC[C@@H](CC2CCCCCC2)[C@@H](O)C1	2301140133	MKKLPZZUOFAQSI-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@H](C)[C@H](C)C(C)C	2301845579	YVGIQVWKQSIOJP-JJXSEGSLSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](CC(=O)[C@H](C)[C@@H](C)C(C)C)C(C)(C)C	2301907391	JCXWAKJZJRBONS-BFHYXJOUSA-N	240.431	4.946	0	10	BJAE	
CC1(C)C[C@H]1c1csc([C@H]2CCCC23CC3)n1	2302262668	NYMXMSQWAVGJKG-MNOVXSKESA-N	247.407	4.704	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)CCCC1=CCCCC1	2302359820	VJQRKBXYMBSOSJ-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CC[C@@H]1C(C)(C)C)C(C)(C)C	2303512662	WCTYBKMBSMWTTO-UPJWGTAASA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@H]2CC2(C)C)CC1	2303582015	DALRXYJRDXEURH-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](O)C[C@@H](C)CC(C)(C)C	2303611951	OZCVTOSACKVDPF-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CC[C@H]1CCC(C)(C)C1	2304352173	PAGRMJIYNPLARQ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CC[C@@H]1CCC(C)(C)C1	2304436157	RFWKCUSGLOZCDK-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@@H]1CCCC12CC2	2307894286	QTZFELREEOTXGT-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)CN(CC)c1ccccc1C	2307906473	FOSUERPSDBZJTM-HNNXBMFYSA-N	233.399	4.648	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@@H](NCC)[C@@H]1CC	2307908982	RTCAASDLBBEITF-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(C[C@H]2CC[C@@H]3C[C@@H]3C2)CCCCCN1	2309146593	UNXFDZBDMQSHMD-VVLHAWIVSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313192277	GIAZYCZCMRJOKI-SQWLQELKSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)c2c1NC[C@H](C(C)(C)C)C2	2315948796	XUXIRDRCAHBYFF-CYBMUJFWSA-N	245.410	4.749	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H](C)c1ccc(C)cc1	2316247260	BVABPLNRLZYDDG-PBHICJAKSA-N	248.410	4.676	0	10	BJAE	
C1CCCC(C[C@@H]2CCC[C@@H]2CNC2CC2)CC1	2316997909	FCYPUTSRJFTKDA-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1CC[C@H]2C[C@H]2CC1	2317023602	ZMRSYMOKUIBYFE-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1C[C@H]2C=C[C@H]1CCC2)NC	2317158145	SKLCFZCHXZMCBE-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N[C@H]1C[C@@H](C)c2ccccc21	2317631424	XFEKCOVTUIAHQL-OEUWWYETSA-N	245.410	4.505	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H](F)c1cccc2c1NCC2	2317995959	VNYCJPQOPSSUJH-ZOWXZIJZSA-N	249.373	4.593	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@@H](C)C1CC1	2318588518	GYEJGNXKXUMFPR-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccc2[nH]c3c(c2c1)CCC3(F)F	2318850699	KWXDGTZVHSARJQ-UHFFFAOYSA-N	249.304	4.503	0	10	BJAE	
O=C(CCCCC1CC1)CC1[C@H]2CCCCC[C@H]12	2318879283	QCQSMDNVPLSIKC-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc([C@H](O)CCCCC2CC2)c1	2318882434	LLJWQNQZFYOFBQ-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCCC[C@@H]3C[C@H]32)cc1	2319252125	KAFBDSUUQKZPSP-DJIMGWMZSA-N	243.394	4.630	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(O)CCCC3(CC3)C2)CC1	2320339650	GGRUFBQUSFJYLO-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)C1(C)CCC1	2320390794	NGMANXSWQRYRKH-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@@H](O)CC(C)(C)C(C)C)c1	2320577723	ICKRDEWALLUNQN-INIZCTEOSA-N	248.410	4.916	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cccc(F)c2N)c1	2327783013	XRBZBHBBNPWHQP-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CCCCCCc1ccc(CC[C@@H](O)CC)cc1	2327905434	LXWKKVDSJMXIHY-KRWDZBQOSA-N	248.410	4.513	0	10	BJAE	
CC(C)(C)Oc1ccccc1C[C@@H]1C=CCCC1	2327910347	LFRUNMAXPCEWDE-CQSZACIVSA-N	244.378	4.763	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1F)c1ccccc1	20372071	MGDJXNUEZRLKMD-HNNXBMFYSA-N	243.325	4.697	0	10	BJAE	
CCc1ccccc1N[C@@H](CC)c1ccccc1	21016734	TYPYCJDAIKOKRU-INIZCTEOSA-N	239.362	4.812	0	10	BJAE	
CCCCCC[C@H](C)NC1[C@@H](C)CCC[C@@H]1C	34995407	XVQKMAGDYWOSMJ-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCCC(=O)c1cc(C(C)C)ccc1OC(C)C	36201634	HNWAAXMVFMGKQE-UHFFFAOYSA-N	248.366	4.580	0	10	BJAE	
Cc1cccc([C@@H](C)Nc2cccc(C)c2C)c1	37215659	PGFLQWRQBGWFBG-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CCCCCC[C@@H](C)O[C@@H](C)c1ccc(N)cc1	40909150	VGMJLZGYUPIULN-KGLIPLIRSA-N	249.398	4.705	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(Cl)c(F)c1	68986526	AYNFVIXRTWJWOB-JTQLQIEISA-N	243.753	4.860	0	10	BJAE	
C1CCCCCC2(CCCCC1)CCCNC2	70503882	DMPRYDCRRJVUNY-UHFFFAOYSA-N	237.431	4.661	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CCC[C@H](CC)C2)cc1	71154552	WVTMUGPECNHXNM-GOEBONIOSA-N	244.378	4.648	0	10	BJAE	
Cc1ccc(C)c(Sc2ccnc(Cl)c2)c1	82605759	DFYYNWGHZZXBMQ-UHFFFAOYSA-N	249.766	4.503	0	10	BJAE	
CCCCC[C@@H](C)NCC1CCCCCC1	84328597	VLLLZDWZQIXQQQ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCN[C@H](C)CC(C)(C)[C@H]1CCC[C@@H](CC)C1	84417161	UTSAFWIIEORJDZ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@]1(O)CCCC[C@H]1c1ccccc1	87164367	LQCFRBYJPLYLCQ-IRXDYDNUSA-N	246.394	4.656	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)C2CCC(C)(C)CC2)c1	87941489	XPFVWPGDTHQGON-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
CCC[C@H](CC)n1c(C(C)(C)C)c[nH]c1=S	88146576	WZDKGOZXVWCKOB-JTQLQIEISA-N	240.416	4.594	0	10	BJAE	
CCCCCC(C)(C)Cn1c(C)cc(C=O)c1C	94989424	FNOFZFNWQPBKEI-UHFFFAOYSA-N	249.398	4.524	0	10	BJAE	
C/C=C\C[C@@H](CC)c1ccccc1Cl	107496352	PIWGNTBVWZOORW-USEMIUTHSA-N	208.732	4.800	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)C1(C)CCCC1	125254938	JBNMNGGYHNXECM-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@H](N)CC1CCCCCC1	126124955	VZQAWVGOCDXBIK-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](c2nc(C(C)(C)C)cs2)C1	131910475	XLEQEBOOVADYGW-QWRGUYRKSA-N	237.412	4.734	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCN	144174493	ALJKZCYRWUOLTM-HUUCEWRRSA-N	227.436	4.604	0	10	BJAE	
CCCc1ccc(N[C@H]2CCC[C@@H]2CC)cc1	163771098	HDWLQVMCLTZLFR-HOCLYGCPSA-N	231.383	4.630	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)C1CCCCCC1	168021121	MHXGONDZLSNYAA-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1NCCC1=CCCCC1	214445005	LJQPEMSXSBJPHA-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(-c2ccc3nc(C)ccc3c2)cc1	219436657	KBKMBOVHTIQMMF-UHFFFAOYSA-N	233.314	4.519	0	10	BJAE	
Cc1ccc(Cl)cc1[C@@H](O)CCC(C)(C)C	229341801	BHMOEHCOUVSLCF-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCC[C@H](C(C)C)C2)c1	230986224	PYPLAZJGFPPNQE-HOTGVXAUSA-N	245.410	4.930	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CCC[C@@H](C(C)C)C1	230986654	NAACOWJIAUJYTC-XHSDSOJGSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H]1CC[C@@H](CC)C1	233566507	AZCDVYCSIMNGJB-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@H]1CCC[C@H](CC)C1	251358517	RWVWVDDPNCJRPQ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@H]1NCCC	251404455	VZZTUWMLRQDWIT-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](C)[C@@H](O)c1ccccc1	252901299	KTQOCOCDZGTEKQ-XOSAIJSUSA-N	246.394	4.573	0	10	BJAE	
CCC[C@H]1CC[C@H](c2ccc(C=O)cc2)CC1	255004298	YFVRUGGMSVPAPA-CTYIDZIISA-N	230.351	4.573	0	10	BJAE	
CCC[C@@H](C)C[C@H](CCC(C)(C)C)NCC	300812897	GALWTMPAUADANZ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CCCC1CCCCC1)CNC(C)(C)C	302247580	JEKSVLAEWARGCN-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)[C@@H]1CCCCC1(C)C	302263704	CBIMLEMZFCAJPH-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
Cc1cccc(N[C@H](C)c2ccccc2)c1Cl	302291540	KUOOKGROPHGJNS-GFCCVEGCSA-N	245.753	4.822	0	10	BJAE	
Cc1cc(C(F)F)c2scc(Cl)c2c1	307670394	PZHCPYXBSPFCEN-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1csc(C)c1	308116140	VVAJCFMFMFBZIV-LBPRGKRZSA-N	238.396	4.702	0	10	BJAE	
CCC(CC)[C@H](C[C@H](C)C1CCCCC1)NC	310204892	BMVHXPCNINWIEY-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@H](C)[C@@H](C)CC	319281747	GJOZMVQTJQNVEZ-ARFHVFGLSA-N	241.463	4.865	0	10	BJAE	
CC[C@H](Nc1cccc2ccsc12)[C@H]1C[C@@H]1C	322076760	UCQGLKRBCXCKMN-DRZSPHRISA-N	245.391	4.748	0	10	BJAE	
CCCCCCC(=O)[C@H]1CC[C@H](CC)CC1	328364745	UJBAKEHXPVONGS-HDJSIYSDSA-N	224.388	4.742	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@H]1C=CCCCCC1	380579608	AMHMWTDSMRADCE-HOTGVXAUSA-N	243.394	4.535	0	10	BJAE	
CCCCc1c(N=O)ccc2sccc12	382744046	QPSJZXZNYUELEC-UHFFFAOYSA-N	219.309	4.642	0	10	BJAE	
Cc1cc([C@@H](N)CCCCCC(C)C)c(C)o1	383243921	JERHAMHFNRZLAS-HNNXBMFYSA-N	237.387	4.503	0	10	BJAE	
CN[C@H](CCCCCCC(C)C)C1CCCC1	383367362	IGAYWEOJLDOOEE-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc2ccn(C[C@H](C)c3ccccc3)c2c1	384571037	JDWMBAJWSSGRIZ-HNNXBMFYSA-N	249.357	4.753	0	10	BJAE	
Cc1c(C(=O)[C@@H](C)C(C)C)ccc2ccccc12	384765737	ULUNBCXYNBPHQP-LBPRGKRZSA-N	240.346	4.623	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H]1CC)c1cccc(C)c1	388589423	KQJUSYSOFFJIJY-HYVNUMGLSA-N	245.410	4.614	0	10	BJAE	
CCC1CCC(CN[C@H]2CCCC23CCC3)CC1	394820960	PLRFLUSNJGIHBN-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@H](O)C[C@H](C)c2ccccc2)CCCC1	395246713	MNPPOWSTEZVQOB-GOEBONIOSA-N	246.394	4.512	0	10	BJAE	
CCc1ccc2sc(C(F)F)cc2c1S	396235765	GXBUWTYWDWUOHK-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCC[C@H](N[C@@H](C)[C@@H]1CC1(C)C)c1ccccc1	397631901	OMLVUIJDGRKJNP-BPUTZDHNSA-N	245.410	4.552	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)[C@H](C)C(C)(C)C)c1C	399162295	MDUBXYIFVZLOBH-HOCLYGCPSA-N	248.410	4.636	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H](C)C(C)(C)C	399326115	SCTDOOIOSNIRAW-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CN[C@H](CCCC1CC1)CC1CCCCCC1	405735979	NLDPPSHGALUYTP-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCSc1cccc(N[C@H]2CC[C@@H](CC)C2)c1	689705945	RAGABFXIEZWVBY-OCCSQVGLSA-N	249.423	4.789	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1nsc2ccccc12	690627297	FNLZPUVFZYQBSO-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
C[C@H]1CCCCC[C@H]1Nc1ccc(C2CC2)cc1	691091776	WSEACBQRIRBNAB-SUMWQHHRSA-N	243.394	4.945	0	10	BJAE	
Clc1cccc(Cl)c1OC1CCCCC1	694962665	CRMZHOIUVJJSJF-UHFFFAOYSA-N	245.149	4.705	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1c(C)cccc1C	696573965	PYUGARVOQZKAQR-CQSZACIVSA-N	234.383	4.553	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)c1ccccc1	696595365	UXQMUISPRLDEKM-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1c(C)cc(C)cc1C	696599374	QFVVGBDLPZUCRQ-HNNXBMFYSA-N	248.410	4.862	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CCC=C(C)C	697598579	JZLJAAHYVJKUNM-GJZGRUSLSA-N	226.404	4.556	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC=C(C)C)NCCC	697758975	NPRXALICUDUTAN-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CC(C)C(C)(C)Nc1ccccc1C(F)(F)F	697973649	ROJIGIZNPCSBOX-UHFFFAOYSA-N	245.288	4.552	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@H]1C(C)(CC)CC	701146140	RBUMFTBCQJNEHC-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C(C)(CC)CC)C1(C(C)C)CC1	701229304	GIRAXMMXPXRNCX-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C(C)(CC)CC)C1(CCC)CC1	701251708	FNXMIVRPWFKLTE-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](O)CC/C=C/c1ccccc1	703981025	XSAIAFTZOSMOCK-USAXFFIDSA-N	246.394	4.667	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)c1ccc(Cl)s1	704610010	HMSWQAOCYMRHNL-GZMMTYOYSA-N	246.803	4.507	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@](C)(N)CC1CCCCC1	704798659	MWGSCXXNMSUPEU-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CCC2(CC1)CC2	704863060	HLOHMVJCWZRAAN-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCC1(CN[C@H]2CCCC[C@H]2C2CC2)CCCC1	710138718	MFNIEYOZLIKEGJ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H](C)C(C)(C)C	710734107	AJFUGODRGRAPIW-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@@H]3CCCC[C@H]32)c1Cl	712390893	QFPIZTCJBZTERO-OUCADQQQSA-N	249.785	4.639	0	10	BJAE	
CCCCCC[C@]1(N)CC(C)(C)CC[C@H]1C	713040691	YYXRBPXBEMJMCD-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC(C)(C)C(C)C)NC	713226593	FJPAKMVQDHTWOE-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)Cn1ccc2c(Cl)cccc21	713234391	DFIQQTVGNPUINZ-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
CC(C)=CCCc1cc(C(F)(F)F)ccc1C	713251227	HFEQARVOVKXCNC-UHFFFAOYSA-N	242.284	4.913	0	10	BJAE	
C=C/C=C\CCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NC	713733690	ZFSVSKQXQOMZPB-QXGIEQATSA-N	249.442	4.559	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)C(C)(CC)CC	713734294	KLMNGEFVOSTEHU-JQPIKURYSA-N	237.431	4.703	0	10	BJAE	
C=C/C=C/CC[C@@H](N)c1ccc(C(C)(C)C)cc1	713736734	FTSWWKVLRVWGJJ-FYCOFBDGSA-N	243.394	4.506	0	10	BJAE	
C1CCC(NC[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1	714421767	BQBLWHOSWFIRNB-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)N[C@@H]1CCCCCC1(C)C	719241168	VHHPPNFRYLEQJD-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
Cc1cccc(N[C@H]2CCCCCC2(C)C)c1F	719260608	NIMHFESBOROYCI-AWEZNQCLSA-N	249.373	4.905	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCCC1CCCC1	719296461	ZFAUTMMFKIDTLY-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](C)N[C@H](C)CCC1CC1	1664419002	DBLZFPAWSPCHPL-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CC=CCCCc1ccc(C)cc1Cl	1885373567	OCXFKRNDMRVJRG-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CCC(CC)CC[C@](C)(N)[C@@H](C)CC(C)C	1900716327	IQKZVOWOPQJUTM-ZFWWWQNUSA-N	227.436	4.602	0	10	BJAE	
CC1(C)CC[C@@H]1c1nc([C@@H]2CC2(C)C)cs1	1901911927	KZCOIZAFYVQNQL-ZJUUUORDSA-N	235.396	4.560	0	10	BJAE	
C[C@H]1C[C@H]1c1csc([C@H]2CCC[C@@H](C)C2)n1	1905268936	ZXMWDJCMYUNBKJ-NOOOWODRSA-N	235.396	4.560	0	10	BJAE	
CCC(=CC1(C)CCCCCC1)CNC(C)C	1912106224	RMPZUEIFXLLBGG-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CC1CC1)C1CC2(CCCCC2)C1	1912630104	YTSWZTLEQOCPSJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](O)C1CC2(CCCCC2)C1	1912725944	FSJIGABWXBHAFV-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@]1(O)CCC(C)(C)c2ccccc21	1919636617	QWBQXXMGERQAQB-KRWDZBQOSA-N	246.394	4.526	0	10	BJAE	
CCCC[C@@](N)(CC)c1ccc(C(C)C)cc1	1920139297	OSTYNEVQXHAUDV-INIZCTEOSA-N	233.399	4.564	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1CC(CCC)C1	1921181367	VWSAFFVFTMRQHD-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
CN[C@@H](C1CCCCCC1)[C@H]1CCCC12CCC2	1921594579	GNJJFOYVFIROGB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C1=CCCCCCC1	1924134165	AOGTUEJQXABNHE-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@@H]1C=CCCCC1	1925898848	RPYTWYSKAKQWNT-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1CCCC(F)(F)C1	1926137934	IUIRWLRBAULPQX-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)CCN[C@H]1CCC[C@H](CC)CC1	1926160011	RXBUEWUWGPBFQL-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@H](C)CCC(C)C	1937163051	JGMRRZLTMUSLFE-HIFRSBDPSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccc(C)cc1Cl	1939408734	XETMRZPYLBUIPZ-GFCCVEGCSA-N	237.774	4.639	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)C1=CCCCCC1	1940245091	VSFCQVBOOKAYFD-INIZCTEOSA-N	238.415	4.556	0	10	BJAE	
CCCCCC[C@H](CCC[C@@H]1CC1(C)C)NC	1940877654	QUTPJLWCROZJGK-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C[C@@H](O)C1(C)CC(C)(C)C1)CC(C)(C)C	1941987435	KTZRBEIMDFUCIK-QWHCGFSZSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)C(C)(C)C1CCCC1	1944800160	WRWQPZLKGOSMQD-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](O)C1(C)CCCCCC1	1944851274	BMUXMGZIGFNGOA-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc(F)c(C)c1	1947466323	TULIQKNWHWKNND-DOMZBBRYSA-N	235.346	4.515	0	10	BJAE	
Cc1ccc([C@@](C)(N)C2=CCCCCCC2)s1	1948953144	SFVFSAYZJXKKCE-HNNXBMFYSA-N	249.423	4.511	0	10	BJAE	
CC(C)(CC[C@](C)(N)CC1CCCC1)C1CC1	1949035280	NVLIFZAPTVNCDJ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@H](N)[C@H](C)C1CCCCC1)C(C)(C)C	1949044874	BTEFTWLJORUQQO-GUTXKFCHSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCC[C@@H](C)CC1)C(C)(C)C	1950925678	VOONXXPWNLLUHR-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1ccsc1Cl	1959882736	HZXZYFQSBMHZOZ-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)C2CCCCC2)C1	1963181113	AFCOKJTURNNGGI-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
C(CCC1CC1)CCN1CCCC2(CCC2)CC1	1966376914	NXFVHFAMOWSEHL-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@H]1CCCC2(CCC2)C1	1969018776	QIRQYLCPJFGOMO-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NC2CC3(C2)CC(C)(C)C3)c1F	1969467800	KUIWOWZDIWAUNP-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](CC)C1CCCCC1	1969916746	DERLSQLBRYDLQH-LZWOXQAQSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2(C3CCCCC3)CC2)C1	1970596240	UNQSNVKFKXRVMQ-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](CC)CN1CCCCCC[C@H]1C	1970723970	UBHMWGSBPMOVFS-HZPDHXFCSA-N	239.447	4.857	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](N)c1cccs1	1980691817	HCFZIIRHLLZYQL-STQMWFEESA-N	239.428	4.745	0	10	BJAE	
CC=CCCC[C@](C)(CC)CNC(C)(C)C	1984641049	WXYOKGKAZARVBJ-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CC(C)(C)CC	1986966324	CQENJEQAVSXSKI-AWEZNQCLSA-N	227.436	4.569	0	10	BJAE	
Cc1ccc(Cl)c(F)c1C[C@H]1C=CCCC1	1993688688	NBJFXRGRUBDXMP-NSHDSACASA-N	238.733	4.686	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCC1CCC1	1995262901	PQKJAKCMPWNZGL-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCc1coc2c(C(C)(C)C)ccc(C)c12	1995453230	OYTZOKPOLAOFMJ-UHFFFAOYSA-N	216.324	4.601	0	10	BJAE	
CC[C@H](C)Cc1csc(CCC(C)(C)C)n1	1995462156	TWOKQTFBSHGEAU-NSHDSACASA-N	239.428	4.710	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](C)(O)C1(C)CCCCC1	1995985535	KFHNQIILYPMYJT-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@H](NC)[C@H]1CCC[C@@H](CC)CC1	1997117381	QMLXBHCFJHJDFQ-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@@H]1CCCC(C)(C)C1	2000052998	ZQBLOASGAMQEOY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(F)F)C(CC)(CC)CC	2000372033	KOBJIEUFKHTVSH-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC1(CC2(O)CCCCCCCCC2)CCC1	2001138045	FPGCUVNHPDZJIL-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CCC1CCC(CNCC(C)(CC)CC)CC1	2002881102	FVRHPOSIXWQODP-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C[C@@]1(CO)CCCCC1(C)C)C(C)(C)C	2005584330	VVUHPDQDLBPSPQ-CZUORRHYSA-N	240.431	4.638	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC)C[C@@H](C[C@H](C)CC)C1	2006621442	AVNGZMYNRHXKLP-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
F[C@@H]1CCCC[C@@H]1Nc1ccc2sccc2c1	2006685333	XLNGOJYTVGEHJZ-OLZOCXBDSA-N	249.354	4.594	0	10	BJAE	
CCC1(CC)CC(O)(C[C@@H]2CCC[C@@H](C)C2)C1	2009298241	GTYFCHPBLSBLGX-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C1(CC)CCC1	2009552909	UYQFAXUADQYTSF-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H]1CCCC1(C)C	2009596325	PRXQIVAIGVECLL-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H]1CCC(C)(C)[C@H](NCC)C1	2009619616	NEVLEFLJZOHQMO-SJKUQHEZSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H]1CCC[C@H](CC)C1	2009633703	BHNQITJVWRTNNW-VTTDZUNHSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@H]1C(CC)(CC)CC	2009773754	WYCSLBISGNUFBI-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)C1=CCC(C)(C)CC1	2010711807	DDWDFIWNYVSEEC-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCCCC12CC2	2011277962	PKFNINYGWKEUJF-HNNXBMFYSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1C=CCCC1(C)C	2013270736	LDJQQNHCTOBZPU-LSDHHAIUSA-N	237.431	4.536	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C1=CCC(C)(C)CC1	2013297357	RXDHYPCNHKTPTM-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](C)c1cscc1C1=CC[C@H](C)CC1	2013604632	OXFVHRMWMZVGJN-RYUDHWBXSA-N	249.423	4.622	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)C1(C)CCCC1	2014340060	OWAYNVMPGLOXHQ-LSDHHAIUSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CCC(C(C)C)C(C)C)N1	2015344955	NCYJGEBPNGOYEE-CABCVRRESA-N	239.447	4.616	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CC1CCC(C)CC1	2016150415	UBUKKGVVLUHQPO-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CC[C@@H]1C1CCC1	2017044794	UGNSBIVVVXKXIR-KGLIPLIRSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)[C@](C)(O)c1cccc2ccsc12	2017702116	KYYCGSRVIBCFLC-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@H]1CC[C@H](CC)CC1)NC	2017724894	ZUPUXMHKKWLFHD-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)CCCC(C)C)CC1	2017729619	YNULDZSIWQAZKX-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H](C)C(C)(C)C)CC1	2017775056	XAIFWKKKXONRTO-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCCC[C@H]2CC)CC1	2018923810	HDURRYAZCDFMGD-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCCCN1C1CCC(CC)CC1	2019165019	XBYVUJOCYGIJLE-PCKAHOCUSA-N	237.431	4.610	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)[C@H]1C=CCCCC1	2019503196	MNIMRNZMNNMAGK-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CC1=CCCCC1)c1cc(C)c(C)s1	2024029075	RZPPCWGQRXYXAP-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CC1(C)CCC[C@H](CCCC(=O)C(C)(C)C)C1	2024091227	GOKRZKPJVLZXNX-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC[C@@H](CCC2(O)CC(C)(C)C2)C1	2024117109	KJPMMFGUUIDVIT-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](O)[C@@H](CCCCCC2CC2)C1	2024144895	AZHGXXDIKIGNJK-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC1CC(CCNC2CCCCCCC2)C1	2025374239	COHBCHVDWQIZAM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC1CC(C[C@@H](N)CCCCCC2CC2)C1	2025431768	HNPMCMGRMINMGU-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H]1C[C@H]2C[C@H]2C1	2026057951	BCYWURYLNATALT-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(F)c(-c2nc(C3CCC3)cs2)c1	2026542021	ZPZQFDHRHWMTIP-UHFFFAOYSA-N	247.338	4.525	0	10	BJAE	
CC(=C[C@@H](C)C1CCCCC1)C1CCC(N)CC1	2027941322	RNGMTWRYWWKEHW-NVPAJSRCSA-N	249.442	4.667	0	10	BJAE	
N[C@]1(CCCCCC2CC2)CCC[C@@H](C2CC2)C1	2028637171	OHVCLKFZVGESNY-IAGOWNOFSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC[C@@H](C)c1ccc2c(c1)CC[C@@H](C)N2	2029839485	ZOSIXXKSXKZGSD-ZIAGYGMSSA-N	245.410	4.973	0	10	BJAE	
NC1(CCCCCC2CC2)CCC2(CCC2)CC1	2032258657	YRIGEMGVDSWSFL-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCC[C@H]1C)c1ccccc1	2032558495	RFQRADGRWIAZMT-VYDXJSESSA-N	246.394	4.501	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1C[C@H]2CC[C@H](C1)C2	2033099611	MCHUFDGTFCSUAA-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](N[C@@H]1CCCCC12CCC2)C1CCC1	2035886200	OQCQDWXLTPIYGA-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](NC[C@H]1CC12CCCC2)C1CCCC1	2036130841	XSGSUPAAYYQIJU-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(C2=CCCCCC2)CC[C@H]2CCCC[C@@H]2C1	2037100560	CIGIOVKQUHYKBY-BFYDXBDKSA-N	247.426	4.565	0	10	BJAE	
CCCC(N)(CCC)CCC=Cc1ccccc1	2037115058	HSZSUWGTLLVNOA-UHFFFAOYSA-N	245.410	4.778	0	10	BJAE	
C[C@H](CC1(N)C[C@@H]2CCCCC[C@H]2C1)C1CCC1	2037161122	WVDUTTXQHNZLAU-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
c1ccc2c(N[C@@H]3CCC34CCC4)cccc2c1	2037479871	YUYNFMKEMMCICT-MRXNPFEDSA-N	237.346	4.584	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2CC3(CCC3)C2)C1	2038077567	ADVDXSSJLOTQMH-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
C1CCC(CCCNC[C@H]2CCC3(CC3)C2)CC1	2038581933	DJYCDRCLAVDHJD-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CCNC[C@]1(CC2CCCC2)CC12CCCCC2	2038999524	LGGGUROISIJHOG-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)N[C@@](C)(C(C)(C)C)O2	2039850461	TYXYAEILVWNLRY-MRXNPFEDSA-N	247.382	4.551	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(N)C12CCC(CC1)C2	2039871731	GVOFSORESZAQEI-NMSBFTQNSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C1(C)CC=CC1	2042015728	CQLKFGYOGSCNSV-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1CC=CCC1	2042016106	GTHXSJOFPRRTPK-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@]2(C)CC=CCC2)CC1	2042071754	JMYBZHBIBRYOIO-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)C1CC2(CCC2)C1	2043546839	LEAQXVVNKCXZJA-GFCCVEGCSA-N	247.357	4.515	0	10	BJAE	
CN[C@@H](CC1CC(C)C1)C[C@@H]1CCC=CCCC1	2045328676	GYYJBFBZEPZKNP-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)C1CC([C@@H](N)C[C@H]2CCC=CCCC2)C1	2045330244	UUUBWAMARIEBLW-OTBWCIGPSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@]2(N)CCCCC23CCC3)C1	2045386479	XYQFKGMHGZQVMV-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CC23CCC(CC2)C3)C1	2045392654	WQUJUZLHZMFNQJ-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CCCc1cccc(C(=O)C2(CCC)CCC2)c1	2045568770	CMZNYWTVDALWIM-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2CC23CCCCC3)C1	2047016013	MGILCWWLEFMTRN-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2CC23CCCCC3)C1	2047060414	XSWNLHWMBYBFDN-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@H]2CCC23CCC3)CC1	2047956992	VQXQHCJIJHNOLQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@H]2[C@H]3CCCCC[C@H]32)CC1	2048447403	VMGXGSCDHXDJMJ-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2049173304	RHULXUKUUOKWFQ-ARLBYUKCSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)C1(C2CCC2)CC1	2051908360	KYDMRIXVPSVPIV-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](c1cc(C)oc1C)C1(C)CCCCCC1	2052468342	BTLFOKYPHBQCFO-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
C[C@H]1C[C@@H](N[C@@H]2C=CCCC2(C)C)CC(C)(C)C1	2055530210	YEEKJABDTCAVAR-RRFJBIMHSA-N	249.442	4.536	0	10	BJAE	
CC[C@@H]1[C@H](C[C@H]2CCC=CCCC2)CC[C@@H]1NC	2058735975	YPDXBERJRBHFHO-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2CC23CCCC3)CC1	2059003544	OWMBZURGXNOJQP-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CCCC2(CC2)C1	2059224550	BXWJJXHAJLZFAW-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)C[C@]12CCC[C@@H]1C2	2061616022	IFXHETXIBWOIRZ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C1CC(=C2CCC2)C1)[C@@H](C)CCC(C)C	2061737955	XEKMNZCAOWTJFL-SUMWQHHRSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063516085	NIQBDBIQDSPQJT-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](Nc1cc(C)cc(C)c1)c1occc1C	2063673295	YUXJHVYORVMJJE-HNNXBMFYSA-N	243.350	4.768	0	10	BJAE	
CC1(CNCC23CCC(CC2)CC3)CCCCC1	2065267768	MVDQGDVARFEZEX-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC23CCC(CC2)CC3)C1	2065340238	UDPBOJCMZYYMJW-RDHHWEPZSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)C[C@@H]1CCC=CCCC1	2068271806	ORWYRAXGWHQRPS-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@](O)(C[C@H](C)C(C)C)c1ccccc1	2068817111	DWIOBVXGCKGXKW-RDJZCZTQSA-N	248.410	4.603	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@@H]2C[C@H]3CC[C@H]2C3)CCC1	2069339425	IYOVZVRNMLTJGZ-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@@H]2CCC=CCCC2)CC1	2069517116	ILJJVAJWJZTMIU-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)C1(CC(C)C)CC1	2069518083	USHODIYBUVFGNJ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CC2(C(C)C)CCC2)c1	2071951617	ZNZUTMKWIXPNIP-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@H]2C=CCCC2(C)C)CC1	2072805987	HRXOPQUHBCLFMS-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CC(=O)c2ccc(C(C)C)cc2)CC1	2074567904	AFPBMQNPNCSGOZ-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@@H]1C(C)=CCC[C@H]1C	2074630155	WMFLBEMXSUOSQT-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC[C@]1(C)CCCN([C@H](C)c2ccccc2)CC1	2074784080	DRNCRRWDYSNZKJ-NVXWUHKLSA-N	245.410	4.650	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@H](O)CCC2=CCCCC2)C1	2075717721	PMCLDWVQIIFKJC-IAOVAPTHSA-N	248.410	4.620	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CCC3(CC3)C2)CC1	2078349049	XDPAESZKZSEDGW-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCC[C@](N)(C[C@H]1C[C@@H]1C1CCC1)C1CCCC1	2079443045	MIUNOZKCFKSYJG-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
C1CCC(NC[C@H]2C[C@H]2C2CCCCCC2)CC1	2079447039	NFQIKVYHORRVQA-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CCCCCc1cc([C@H](C)NCCC)ccc1C	2082716784	GMPVWUPURBCTBY-HNNXBMFYSA-N	247.426	4.788	0	10	BJAE	
CCC[C@@H](CCC1CC2(C1)CC1(CCC1)C2)NC	2083614853	FESAQHWKOOCYKP-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](N)CC1(C)CC(C)(C)C1	2211616791	ZSPHJPATEOSMTO-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)CNc1ccc(Cl)cc1CC	2212627403	KDUIBZIOWFBJLI-NSHDSACASA-N	239.790	4.751	0	10	BJAE	
CC[C@@H]1CC[C@H](CCCCCCC2CC2)CN1	2213576167	NJPCPIXZLGLSCO-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCCCCCC1CC1	2213595450	LWXKSIGHLPDQOY-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@@](O)(CCCCC1CC1)CC1CCCCC1	2214573302	LLABYIGUAPAHKH-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCCCC(C)(C)CNCC[C@@H]1C[C@H]1CC	2215313770	UKHRBQHWQWPQGI-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C1(C(C)(C)C)CCC1	2215344910	GHXHOAYVCBHGNL-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CC1(C)CC(C)(C)C1	2215395255	XHQSDQGWXSYZNK-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)CC1(C)CC(C)(C)C1	2215395913	NPKQGKWVENEOHY-STQMWFEESA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@]1(CNC(C)C)CC=C(C)CC1	2215825894	IDEMXNUDHWHKMW-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1c(C)cccc1C	2216049449	NDEZMFABNLNSSD-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
CCC/C=C/CN[C@H]1CCC[C@H](C(C)(C)C)C1	2216252214	ISIJLSKCEKHAMU-JSMHICHCSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@H](C(C)(C)C)C1)C(C)C	2216257732	MRRHIEKUFSGHEK-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCCCC(F)F	2216505631	QGVQCDUQXVYFCG-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CC(C)(C)[C@@](C)(N)CCCCCCCC1CC1	2216860167	MKLDLYDODNFDNZ-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
N[C@@H]1CCCC(=CCCCCCCC2CC2)C1	2216862888	MNNKQSPXZFDOHV-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C[C@H]1C[C@@]1(C)C(=O)CCCCCCCC1CC1	2216879751	MUMXBKABVBKRGD-XJKSGUPXSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)C[C@H](CN[C@H](C)CC)C1CCC1	2217128094	YQWPIODUIMBRDM-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)C[C@@H]1CCC[C@H]1C	2217140954	KWTRDUFEJBOASW-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218332599	MZBDQQHIMQCOBT-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC(C)Cc1ccc([C@H]2CCCCCC2=O)cc1	2218638739	DIUXZCCXNRKASP-MRXNPFEDSA-N	244.378	4.502	0	10	BJAE	
N[C@@H](CCCCC1CC1)[C@@H]1CCCCC12CCC2	2220043337	CIWALKABFXLONI-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@]1(C)CC=C(C)CC1	2221630543	JMECNJXAFISJKC-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)c1c(C)cc(C)cc1C	2222006594	MURZLCBEEKIGEI-SJCJKPOMSA-N	247.426	4.612	0	10	BJAE	
CC1=CC[C@@](CCC(C)C)(CNC2CCC2)CC1	2223550639	NGVWFBUQCXGVQR-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CC1(CNC2CCC2)CC2(CCC2)C1	2223605195	VZPLMGVJTBRVSN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)C(C)(C)C	2244835390	DIHUGLMWJTWOHF-ZIAGYGMSSA-N	227.436	4.602	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)CC1(C)CC(C)C1	2246591688	TUJXZFUGPJOFFQ-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](N)CC[C@@H]2CCC[C@@H](C)C2)CC1	2246728723	TYHZSUHSDBFNHL-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)CCC1CC1	2250519045	LWUGCPNVNLSFST-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)C[C@H]1C[C@@H]1C	2250528302	MNCMPVHHVFSZSY-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H]1[C@@H](CC(C)(C)CC)CCC1(C)C	2251698013	QIQNXMOOQUZECA-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)c1ccc2ccsc2c1	2253064690	FDOILTCSYPRLMJ-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CCCCC1(NCC[C@@H]2CCCCC23CC3)CC1	2253889722	NDSVUADLHUYDMS-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC[C@@](C)(NCC[C@@H]1CCCCC12CC2)C1CC1	2253891480	PWWAQYMMDMCMEV-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CC2(CCCC2)C1)[C@H]1CC[C@H](N)CC1	2254082650	RXZYRQLEIAPANW-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
Cc1c(F)cccc1C(=O)CCCC[C@H]1C[C@@H]1C	2254610343	OHRQEZSGBGTZIG-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CCC1([C@H](C[C@H]2CCC23CCC3)NC)CCCC1	2255026405	IJFLXYFYOQEDKL-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H]1CCCNC12CCC2	2257361894	OTHOEUWYGQLWBQ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)O[C@@H]1CCNc2ccccc21	2258835353	KRLTVVOVKYSIBM-XJKSGUPXSA-N	247.382	4.529	0	10	BJAE	
C[C@H](CC1CCCC1)NC[C@]12CCCC[C@H]1CC2	2260552617	KGRVYKYJIQRVKI-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(C2=CCCCCC2)C1	2261368910	JYRJQYOWWDVPLB-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1C)CC(CC)CC	2298125828	AIEPNOKEYUMSNY-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@H](C)CC1CCC1	2298909335	XJDPOPPOBDOXBA-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](N)CC1CCCCCC1	2298921696	XEBZZZGERDTNTL-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCC[C@H](C2CC2)C1	2300691866	ZEYRMGLUNWJEKA-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCC(C)=CC[C@@H](NC)C1CCCCCCC1	2300869376	HXXGVWFIZXQDAE-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CC[C@]1(N)CCC[C@@H](CC(C)C)C1	2300898855	IQRXSDRCEQFAKS-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC(=CC[C@@H]1CC[C@H](C)[C@@H]1N)CCCC(C)C	2300904179	MDTJRMRPANAMBE-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1C[C@H]2CCC[C@H]1CC2	2301144444	DORFPRPYFHEYIO-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CC1CCCCCC1	2301247903	UYJAZJJKRZKLQD-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(N)CCCC1=CCCCC1	2302321753	ABNNGTUCUHZORY-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CCc1cscc1NC1C[C@H]2CCC[C@H](C1)C2	2302893857	ZHBDNMWOHIMIFO-RYUDHWBXSA-N	249.423	4.691	0	10	BJAE	
CNC[C@@]1(CCC(C)(C)C)CCC(C)=C(C)C1	2303581442	ADNZUNOZNDKLFQ-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)[C@@H](C[C@@H]1CCC(C)=C(C)C1)NC	2303595364	SCQLCFVSFKWZOA-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](CCC2(N)CCCCCC2)C1	2304436933	UVJXHKNWUVSJKV-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CC1CCC(C)(c2nc([C@@H]3C[C@@H]3C)cs2)CC1	2307683628	NAGZCCYBRYDXIW-XWAURUHHSA-N	249.423	4.734	0	10	BJAE	
CCC[C@H](CC)CN(CCC)C1CCCCC1	2307891173	AQZCBVLNHKORQE-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)CC1(C)CC1	2307905506	XIINPTCVIYCMIJ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)C[C@@]12CCCC[C@@H]1C2	2311148328	UPLDTACZLVEWKP-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H]1C[C@H]1C1CCC1	2311482293	YPEBYFSPJNSRFQ-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2C[C@H]2C2CCC2)CC1	2311515197	CSZXNNZMOZHBOZ-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2311525546	WDZGYUSZIQAKIM-FAYQHZLMSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CCC[C@@H]2CCCC[C@H]21	2311969268	RCPHQJIKFOXTBH-LUKYLMHMSA-N	249.442	4.610	0	10	BJAE	
C[C@@H](CC1CCC1)[C@]1(CN)CCCCC12CCC2	2313581432	RUQCPLFFEXKOKE-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1C[C@@H]1C1CCC1	2316510497	MROZBACVDSJMAD-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCC1CCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316698338	LVAZHXWRJDSQFY-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCCCC1)C12CCC(CC1)C2	2316883226	AUZAOGQCOFEYFT-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@](N)(CCCC2=CCCCC2)C[C@H]1C	2318565622	NRNNOEWIJZKWKJ-BFYDXBDKSA-N	249.442	4.811	0	10	BJAE	
CN(CCCC1=CCCCC1)[C@H]1CCC(C)(C)C1	2318581676	ZHQQOHXLDLWZMV-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
C[C@@]1([C@H](N)CCCC2=CCCCC2)C=CCCC1	2318589889	VKUNRMSSVQUSLY-IAGOWNOFSA-N	247.426	4.731	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCCC[C@@H]3C[C@@H]32)c(C)c1	2319337581	SAHPVRVCNGDWRB-OWCLPIDISA-N	243.394	4.602	0	10	BJAE	
N[C@H](CCC[C@@H]1CC[C@@H]1C1CC1)C1CCCCC1	2319747606	GNGYHWRSVDWEAC-XOKHGSTOSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(NC[C@@H]2CC[C@H]2C(C)(C)C)ccc1F	2320239657	GGLCXIQMVRHYIV-GXTWGEPZSA-N	249.373	4.618	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@@H]2CC[C@H]2C(C)(C)C)C1	2320246479	JLMIRCCIVCXFAM-JYYAWHABSA-N	249.442	4.523	0	10	BJAE	
O=C(C1CCCCCCC1)[C@@H](CC1CC1)C1CC1	2320695436	LGRHFIVFHADEEF-INIZCTEOSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)C[C@H](C)C2CC2)c1	2327657506	MVRDHWRDWILSJE-ZDUSSCGKSA-N	244.378	4.737	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cc(C)ccc1C(C)C	2327704887	ZOOHZNGRTLFNSI-INIZCTEOSA-N	248.410	4.978	0	10	BJAE	
C[C@@]1(N)C[C@H]2CC[C@H]1C[C@H]2CCC1CCCCC1	2327770595	QYZNPZJDVXPMOP-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCCCCCc1ccc([C@@H](O)[C@@H](C)CC)cc1	2327898683	INIAERNIMGLTKB-YOEHRIQHSA-N	248.410	4.889	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)C[C@@H](C)c2ccccc21	2328187747	HVSBGGIEBVFHCE-KEYYUXOJSA-N	245.410	4.564	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CCCC[C@@H]1C	20554178	LMJUOHQHFCXCKQ-GWCFXTLKSA-N	237.774	4.639	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(C)cc1C	21029697	VXDCWZGLGLJWBR-SWLSCSKDSA-N	233.399	4.930	0	10	BJAE	
CCCCCCNc1ccc(C)c2ncccc12	37101263	PGZGTTODRRHHEW-UHFFFAOYSA-N	242.366	4.535	0	10	BJAE	
CC[C@@H](C)c1cccc2c(C)c([C@H](C)NC)oc12	40996205	GXKPORGPSQNMSE-PWSUYJOCSA-N	245.366	4.535	0	10	BJAE	
Clc1cc(Cl)cc(NCC2CCCC2)c1	41289951	FTCSRODIZAMLML-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
Cc1ccc(COc2ccccc2C(C)C)cc1	70236347	YFXNRINDHHGBGS-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCC[C@H](CC)C1	70562434	NERYFJSDAOTHBB-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1cc(C)sc1C	71085914	WVYGHJVDDWBUPT-GXTWGEPZSA-N	240.412	4.615	0	10	BJAE	
Cc1cc(C)c([C@H](C)NC[C@@H](C)C(C)C)cc1C	83898294	JIELEZRCIMPNLP-CVEARBPZSA-N	247.426	4.555	0	10	BJAE	
CCC[C@H](CC[C@@H]1CC[C@H](C)[C@H](C)C1)NCC	85038020	DBOYIVZFGMZNQP-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)COc1ccc(C(C)C)cc1	85151442	WCQCDJWNDGDLSZ-CYBMUJFWSA-N	220.356	4.625	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCC[C@@H](C)CC1	86879180	DEAJOVYEDHJPLB-BXUZGUMPSA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H](C)CC(C)C)CC1	86939086	VGFKLMZLTXGMMJ-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@@H](NCCC)c1cscc1C	87288872	SGXBHAWHBRKKEQ-CQSZACIVSA-N	239.428	4.678	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](C)c1ccc(C)c(C)c1	88293845	QETFWINWZMGFTB-RCBQFDQVSA-N	247.426	4.779	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@H](CCC)c1ccccc1	92600079	GCHWIGSFUFUMGF-SJORKVTESA-N	247.426	4.595	0	10	BJAE	
CCC[C@@H](NC)c1ccc(Cl)c2ccccc12	93655990	WVHZXJXRYQQRQM-OAHLLOKOSA-N	247.769	4.554	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCCCC1(C)C	94274176	NSDCPUSJXFAUOC-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
CCC(CC)C[C@@H]1C[C@@H](C)Nc2ccccc21	94677437	KODGYKZKHRVZQQ-OCCSQVGLSA-N	231.383	4.801	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)C[C@H](C(C)(C)C)CN2	109608884	DWLPBWIMKHZXLO-AWEZNQCLSA-N	245.410	4.614	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)c1ccc(C)cc1	109720132	IFAXLEPQDLVZDO-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@@H](C)c1ccc(C)cc1	109902063	STGMBWQVQBHKQZ-KMFMINBZSA-N	247.426	4.860	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)C2CCCC2)c(C)c1	112392352	KJGOBFJLOYULSX-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
C[C@@H]1CC[C@H](NCCC(C)(C)C)c2ccccc21	123936944	LWEIBZZSNCUFBH-CJNGLKHVSA-N	245.410	4.651	0	10	BJAE	
CS[C@H](C)c1cccc(N[C@@H](C)C(C)C)c1	134502462	PQYFJRCRAGNDEF-NWDGAFQWSA-N	237.412	4.567	0	10	BJAE	
CC(C)C[C@H](NCCCC1CC1)c1ccccc1	161455166	PTWKJJGEEPRKEM-KRWDZBQOSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](CCCC(C)C)NC)C1	165893426	JLKCWCHALZRFGX-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1(C)CCCC1	168915918	PXCVTQXTQWGFCF-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
Cc1cc2cc(C(C)(C)C)ccc2s1	197327856	RJHZLNQKHQXQCF-UHFFFAOYSA-N	204.338	4.507	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CC2CCCCC2)C1	203527944	HWSFDSZKQKCSOC-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc([C@H](CC)N[C@H](C)[C@H](C)CC)cc1	218138273	DCHKTTCLJGXAGN-CPUCHLNUSA-N	247.426	4.724	0	10	BJAE	
CCC[C@@H](C)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O	222609142	HMMJAJDKVSTQAD-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@@H]1CCCC1(C)C	226906694	LWBDSGJYZYSLOI-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)[C@H]2CC[C@@](C)(C2)[C@H]1NC1CCCCCC1	226968459	VFOJTEXOCPJZRX-QRTARXTBSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)C1CCCCCC1	229150788	JTTFMOYYDLEHSO-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H]1CC=C(OC(C)C)CC1	238241185	NFLZZPPEUYLJAW-CYBMUJFWSA-N	210.361	4.676	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C2=CCCCCCC2)C1	300128286	FYPBFUCZYAZHTQ-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)C(=O)[C@H]1CCCC[C@@H]1CC	300952954	PGSJVJYSZNORCI-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
Cc1ccccc1CCC(=O)C[C@H](C)CC(C)C	302387934	QJEJKOSZGWLKJG-CQSZACIVSA-N	246.394	4.569	0	10	BJAE	
Cc1cc(F)cc(N[C@H](CCC(C)C)C2CC2)c1	302535705	SBDFZKYFELPFBS-MRXNPFEDSA-N	249.373	4.761	0	10	BJAE	
C[C@@H](CCC(C)(C)C)Nc1ccc(Cl)cc1	304322454	CIQRSRUZEKPJJX-NSHDSACASA-N	239.790	4.967	0	10	BJAE	
Cc1cccc(NC(C(C)C)C(C)C)c1Cl	304493939	IANQTVZJIQCMMX-UHFFFAOYSA-N	239.790	4.741	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CCCC(C)(C)C)C1	305910364	HZZUYNKZUPFDFI-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CCC1([C@@H](CCC2CCCC2)NC)CCCC1	305932037	JYSDVEIXBQAWOA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@]1(C)[C@@H](CNC(C)C)C1(C)C	306063644	ZUPYFPHYNJEAOA-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
O=C(c1ccsc1Cl)C1CCCCCC1	307394687	FCBHAWMGIZOSLS-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCCN[C@H](CCC[C@@H](C)CC(C)C)C(C)C	309993140	ZGGISVHURKOGAP-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](C)c2ccccc2N1	310317169	VMPUOZXEWNCEDO-KGLIPLIRSA-N	231.383	4.945	0	10	BJAE	
C[C@@H](C[C@H](N)C1CCCCC1)C1CCCCC1	310486946	NDJGCXVAZNJZCW-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCc1cccc2ccn([C@H]3CCC[C@@H](C)C3)c12	310594555	YALZKMIGIYZBDH-CJNGLKHVSA-N	241.378	4.955	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1ccsc1Cl	312511143	ASKPDAODENBSMH-GXSJLCMTSA-N	245.819	4.618	0	10	BJAE	
CC(C)(C1CCC1)[C@H](O)CCC1CCCCC1	322337243	CLWKQOFCACMCEP-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C(C)(C)C1CCC1	322363886	IDSSKWZGFVFTAZ-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CC/C=C\c1ccccc1)C(C)(C)C	324331739	WLMVVBTUTYYXRV-OVHOFWQVSA-N	245.410	4.504	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC[C@H](C)C[C@H]1C	383213325	CNWXSADBTLRUKY-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H](n2ccc3ccc(F)cc32)CC[C@H]1C	384621948	RIMKJBBAJMYNAR-TYNCELHUSA-N	245.341	4.778	0	10	BJAE	
CCCOc1cccc(N[C@@H](C)CC(C)(C)C)c1	384651457	CBZMLMBGOCLGNN-ZDUSSCGKSA-N	249.398	4.712	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccc(Cl)cc1	384794153	ROEWNLJYASMOMF-SNVBAGLBSA-N	225.763	4.577	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CCCC12CCC2	394729549	GMUXQRJDAJAEFL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C(=O)CCCCCC(C)C)cs1	394810674	KDKWTCZUZIYGLQ-UHFFFAOYSA-N	238.396	4.846	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@H](C)C(C)(C)C	399123511	PMVGHPABLAEMQS-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CNC[C@@]1(CC2=CCCC2)CC[C@@H](C)C1	401084583	QJZAAAWZSLAICB-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCCNC[C@]1(CC2=CCCC2)CCCC[C@@H]1C	401086382	RSPJXBIQECPZKH-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CC(C)(C)C1CC1)NCC	405709430	DNCAKJGZRWFUIZ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCCC1CC1	405845344	VBPYPFCVFPBOMK-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC(C)(C)c1ccccc1	686736064	AZPARZYANLPFMZ-CQSZACIVSA-N	246.394	4.750	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@H]2CCCC[C@H]2C)c1	688927337	QQEVJRQCGWGDQO-COXVUDFISA-N	245.410	4.636	0	10	BJAE	
CCSc1cccc(NCCCC(C)C)c1	689682793	OLNLWWGIVKQHFP-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
C[C@H](Nc1ccc(C2CCC2)cc1)C1(C)CC1	690149645	KXYRUNKPJZLNQF-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
NC1(CC/C=C\c2ccccc2)CCCCCC1	690373344	BHMLAONWAQQKJM-SDQBBNPISA-N	243.394	4.532	0	10	BJAE	
FC1(F)CCCC[C@H]1CCC1CC=CC1	692165541	ZRQAMNRBDUDNQB-LBPRGKRZSA-N	214.299	4.558	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@@H]1CCCC2(CC2)C1	695981044	DFMJVAHTOQHCKO-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(CNC(C)C)C(C)C	696679369	SJSUTFNFJGONQK-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@@H](C)[C@H](N)c1ccccc1	696799058	IVOSOLMHPYYYQD-HIFRSBDPSA-N	233.399	4.539	0	10	BJAE	
CCC(C)(C)CC[C@H](C)[C@H](C)CNC(C)(C)C	696807670	UAQDVFPBCFPJBW-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@H](CNC(C)C)C1CCCCC1	696857045	AXPXUZZATYWAGU-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCCc1cccc(Cl)c1	698084871	PKCHMZDIUDEGRJ-UHFFFAOYSA-N	208.732	4.629	0	10	BJAE	
CCCc1ccccc1O[C@@H]1CC[C@H](C)[C@@H](C)C1	699509061	ZUKIRFUGIHBQRH-OFQRWUPVSA-N	246.394	4.843	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H]1C[C@H]1C(C)(C)C	699813591	UEMZYKCNMAIARL-HUUCEWRRSA-N	244.378	4.504	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H](C)C(C)(C)C)c1	701486697	YQRUEIFXWNXYSR-SWLSCSKDSA-N	234.383	4.526	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@@]2(C)CC2(C)C)c1	702217872	FTTGHAORQZPYHC-QGZVFWFLSA-N	244.378	4.504	0	10	BJAE	
C[C@@H]1CCC[C@@H](C2(N)CCC(C3CCC3)CC2)C1	704464459	GAQOLQCSPNXNKD-CRYBEJKASA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C1(N)CCC2(CCCC2)CC1	704859770	IKSWHFXJXUWOHL-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(C(N)(CC(C)C)CC(C)C)c1C	704907886	LVELPTIVWJCSGC-UHFFFAOYSA-N	247.426	4.550	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CCCC[C@@H]2C)c(C)c1	704920469	BLHCZNVORIHPSC-SWLSCSKDSA-N	244.378	4.621	0	10	BJAE	
CC(C)c1ccc([C@]2(N)CCCCC[C@H]2C)cc1	704941201	LDJWADMTDYDKCD-PBHICJAKSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CCCCCC(C)C	704976793	HQLBPIROQDOOEL-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](N)(CCC)C1CCC1	705367208	FCAUZEPGEUXDLS-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCC1CCC(N[C@@H]2CC[C@@H]3CCC[C@H]32)CC1	707834707	LNJNOGSTLHHEDK-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(F)cc(NC[C@@H](C)CC(C)(C)C)c1	709106810	WALCLLSZVIXGHL-LBPRGKRZSA-N	237.362	4.618	0	10	BJAE	
C[C@@H](Cc1cccc2c1NCCC2)CC(C)(C)C	709160399	UIXJDVVHIFOWAV-ZDUSSCGKSA-N	245.410	4.660	0	10	BJAE	
C[C@H](CC(=O)c1sccc1F)CC(C)(C)C	709212981	PYUIEHGRMDGUOQ-SECBINFHSA-N	242.359	4.532	0	10	BJAE	
Cc1cc(NC(C)(C)CC(C)(C)C)c(C)cc1N	710674628	UQMMWZBDBLGRNG-UHFFFAOYSA-N	248.414	4.512	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)C[C@H](C)C(C)(C)C	711182400	INCCBGGOKDIFLO-XJKSGUPXSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CC(C)(C)CC[C@@H]1C	713094892	SCFCPFBRRZNZRU-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC(C)(C)CC)CC1	713145294	IFPSOKITTHWPKG-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCNC[C@H](CC(C)(C)C)C1CCCCC1	713173514	IDRHVUYXYIYTGU-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C/CC[C@@H]1CCOC2(CCCCC2)C1	713646962	ROXYBVVXROEQEN-NHZBNJEXSA-N	234.383	4.638	0	10	BJAE	
C=C/C=C/CCCc1cc(F)ccc1Cl	713746722	SHZVSIWLKJSULD-ONEGZZNKSA-N	224.706	4.544	0	10	BJAE	
CC(C)=C(C)CCn1ccc2cc(C)ccc21	718560292	QVUJCGOVRVICOT-UHFFFAOYSA-N	227.351	4.696	0	10	BJAE	
CCN[C@H](C)CC(C)(C)CCC(C)=C(C)C	718655502	YJGKSKVLYFNVSC-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC[C@@](N)(CCCC(C)C)CC1CCCCC1	720358467	MDNMQKSWPZXCKW-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCC[C@H]1CN[C@@H](C)CCCC(C)C	1560837971	HIDPMIXNBZRNNI-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@@H](C)CC(C)(C)C)C(C)(C)C	1560838685	FXQPSMFSPXNLOW-STQMWFEESA-N	227.436	4.616	0	10	BJAE	
C1=C(CSCc2ccccc2C2CC2)CCC1	1613717905	AKTBEQXVEHYBNV-UHFFFAOYSA-N	244.403	4.908	0	10	BJAE	
CC(C)=CCCN1CCC[C@@H](C2CCCCC2)C1	1620449094	FZBMCDDBGBIEMZ-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC2(C3CCC3)CCC2)C1	1653842205	YRPRKLHRFDMYNY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C=C(C)C[C@@H]1CCCCN1)CC	1881479064	UGIXZNDJKCWWJE-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CC[C@H](NC)c1cc(C)cs1	1900694957	AQKFEJZLRXMXRG-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C[C@@H](C)CC	1900698825	WZOSVDFMAOOOQJ-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCC(C)=CCNc1cc(C)c(F)cc1Cl	1900822469	GJUHAFLXRLLYMQ-UHFFFAOYSA-N	241.737	4.556	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H](C)[C@@H](C)C(C)C	1901709383	NQCJEJTURGQLMM-JQWIXIFHSA-N	239.790	4.741	0	10	BJAE	
CCC[C@@H](CC)C[C@@](N)(CC)c1cccs1	1905360995	HXMZVCKQTNQUFQ-OCCSQVGLSA-N	239.428	4.529	0	10	BJAE	
CC(C)CCC[C@@H](C)NC1CC2(CCCC2)C1	1912714817	ADDGNSWHFCEKRD-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CCCNCC1(C[C@@H](C)CCC)CC(CC)C1	1921187749	RFOPDIAHTGNAOX-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	1921540216	CBJCCVRLQWDYFI-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCNC1(C2CCCCC2)CCC1	1921566138	YUTAWXMQEPHRFL-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@@H](C)C1CCCCC1	1924074305	CWALIUQAQWRUNM-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@H](C)C1CCCC1	1924100565	XQOPXWWFERJFOW-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1C=CCCCC1)C1CCCC1	1925734725	AXLFQOJUNYZHSO-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
COc1ccc(CC[C@H]2C=CCCCC2)cc1F	1925843044	HGTDRWFBVCVMCP-ZDUSSCGKSA-N	248.341	4.513	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C[C@@H](C)CC(C)C	1926385695	XMYKMDJFWNRPJZ-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
Cc1cscc1N[C@@H]1[C@H](C)CC[C@@H](C)[C@H]1C	1935907270	BYRQWLCLSMUYGY-BGOOENEXSA-N	237.412	4.539	0	10	BJAE	
CCC[C@H](C(=O)c1cccc(Cl)c1)C(C)C	1936207310	SPKKAHKVIPZTFA-ZDUSSCGKSA-N	238.758	4.595	0	10	BJAE	
CCCC[C@](CC)(CN)[C@@H](C)CCC(C)C	1937168417	IETIFWRCUOGIFX-LSDHHAIUSA-N	227.436	4.604	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](C)c1ccc(C)s1	1937268572	RAEIVQLIXOWYDP-DGCLKSJQSA-N	239.428	4.533	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)C1(CC)CC1	1940410548	RUJOVLDAXJJWQO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
c1cc(N[C@@H]2C[C@H]3CCC[C@H]32)c2sccc2c1	1940425281	XQTYWSOAYGXSJU-YRGRVCCFSA-N	243.375	4.502	0	10	BJAE	
CCC[C@H](C(=O)[C@@H]1CCCC[C@H]1CC)C(C)C	1941264466	LXGUBFLLVMRNRT-QLFBSQMISA-N	238.415	4.844	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1CCCCCC1CC1	1941688496	WNZQTXUEHASNKN-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943043266	NKUYRPPNJPEDDQ-BFJAYTPKSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(C)CCN[C@@]12CCCC[C@H]1CCC2	1944190739	YDYXBHXHTZLXCN-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C(=O)CC1C[C@H](C)C[C@@H](C)C1)C(C)C	1944203815	OTUBRWOVLKIRQJ-NFAWXSAZSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](O)CCC2CCCCC2)C1	1945580983	BVWVTZNGQWROGK-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@](C)(O)c1cccc2sccc12	1945956296	FPDUJMHDDYDOMG-OAHLLOKOSA-N	248.391	4.689	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCC[C@H](F)C1	1946965027	SLBHSIIMAVXBLV-MJBXVCDLSA-N	242.378	4.690	0	10	BJAE	
CC[C@@H]1[C@@H](C)[C@H]1C1(O)CCCCCCCCC1	1947881913	UOGGAEBJIZUFOF-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1948587443	RZYIJCFUMBZABA-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@H](N)C1(C)CCCCCC1)C(C)(C)C	1949042992	JPAWCJOUFSZKFS-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC[C@@](N)([C@H]1CCC2(CCCC2)C1)C(C)(C)C	1949401142	AQWOGXBCJYLJRP-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](O)[C@H]1CCCC(C)(C)CC1	1950914866	UJSZMFQPGZVXLU-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2C=CCC2)CC1	1950924258	XZJSPKKGWWQHBO-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCC=C[C@H](C)Cc1ccc2c(c1)CCCC2	1951307436	XKQWDUGCQSLSFJ-AWEZNQCLSA-N	228.379	4.710	0	10	BJAE	
CCC=CC[C@H](C)c1c(C)cc(OC)cc1C	1951308150	AOCMOQKVXUPLMT-LBPRGKRZSA-N	232.367	4.772	0	10	BJAE	
C[C@@H](Nc1ccccc1Cl)C1CC2(CCC2)C1	1968256273	LMBBIZVWYFVEDR-LLVKDONJSA-N	249.785	4.721	0	10	BJAE	
CCc1ccc(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1	1968313446	CXFUGUNKECRDIB-FOLVSLTJSA-N	245.410	4.733	0	10	BJAE	
CCC1CCC(N[C@H]2CCCC3(CCC3)C2)CC1	1968665531	MXSYTIJDVJGMMB-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
CCCC(C)(C)CN[C@H](CC)C1CCCCC1	1973171328	NKGSTNDRLCMQQN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](NC[C@@]12CCCC[C@H]1C2)C1CCCCC1	1973225243	IHAIRSJKJVLNBQ-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@](C)(O)C1(C)CCCCC1	1975570335	GOGNSHQMMFDBIZ-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)(CC)C(=O)c1c(C)csc1C	1978451124	CTSSQCCJKSFSPC-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H](C)C1(C)CCC1	1981369162	HMYUHQXNELZSHG-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@@H](CC)CNC(C)(C)CCCC	1987092094	KTMVPVQNKZZGEI-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CC[C@H](CNc1c(F)cccc1Cl)C(C)C	1988764257	JVGDHIIMVAEFRA-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
C[C@H]1CC[C@H](COc2ccccc2Cl)CC1	1989839231	OTYRROLFDSKMRJ-HAQNSBGRSA-N	238.758	4.545	0	10	BJAE	
C[C@H](c1cccc(N)c1)[C@H]1CCCC(C)(C)C1	2000163252	QWKIESBKVSAUAZ-OCCSQVGLSA-N	231.383	4.589	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C[C@H]1C=CCC1	2000379901	QKCVKIKZZQYRAR-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@@H](C)CC(C)(C)C	2002515942	NBNNOBZGDCQBDZ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC2(C)CCCC2)C1	2002993617	MFKWXVSUVNQFTI-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)N[C@H](C)[C@H]1CCC[C@@H](C)C1	2003028090	SOULHSMMRJDAIL-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC1CCC2(CC1)CC2	2003189633	DJFBZPBPORVSHW-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC1CCC2(CC1)CC2)NC	2003220452	HUZQYSXRWPVWOJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(=O)[C@@H]1CCCC[C@@H]1F)C(C)(C)C	2006748514	WXJWONWTUKPBDL-UPJWGTAASA-N	242.378	4.546	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@@H]1CCC[C@H]1C	2006757014	AISOJRNUIGQPSI-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@](C)(CCCC)CNCCC	2009618560	CYBAREDDSDEGRG-MRXNPFEDSA-N	239.447	4.929	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)C1=CC[C@@H](CC)CC1	2010712554	AKPBXIPCABYCSL-BMFZPTHFSA-N	238.415	4.556	0	10	BJAE	
Cc1ccc(NCC2CC(=C3CC3)C2)c(Cl)c1	2011084010	XMNFANHNXLJZAW-UHFFFAOYSA-N	247.769	4.561	0	10	BJAE	
C/C=C/CCCN[C@H]1CCC[C@@H](CC(C)C)C1	2011438916	VIWFHIHOYLGPOZ-SWJNODNISA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)Nc1cc(F)c(C)c(F)c1	2013714485	MRYKQMATANEDDH-LLVKDONJSA-N	241.325	4.654	0	10	BJAE	
CCCC[C@@](C)(N)c1sc2ccccc2c1C	2014289231	AYOPIHHQVXXZCA-OAHLLOKOSA-N	247.407	4.574	0	10	BJAE	
CCC[C@](O)(CC)c1sc2ccccc2c1C	2014291701	IHQHJSXLTIOVGT-OAHLLOKOSA-N	248.391	4.607	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H](C)C1(C)CCCC1	2014340137	POBJONVBHXWILM-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@H](NC[C@H](C)CC(C)(C)C)C1(C)CCCC1	2014360170	RNHSGLUKXJXTQB-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C[C@H](C)C(C)C	2015271741	OEYVIDCMRZAYAQ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](O)c1cccc2ccsc12	2015277504	HMMAAZFAKXTEHO-FZMZJTMJSA-N	248.391	4.617	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](CC(C(C)C)C(C)C)C1	2015380074	RNCLNYPGCWRSLK-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)CCC(C)(C)C)CC1	2017769778	SUDXCHVAWRUZRR-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)CC(C)(CC)CC)C1	2019204825	ZXOKISYBZQBKIT-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCCN(C)C1CCCCCC1	2019343644	CBLCCMZBLJZCCQ-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCCN[C@H]1[C@H](C(C)(C)CC)CCCC1(C)C	2020350270	AHBSXGZDPMAGAU-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@H](CCC)CC(C)C	2020966037	NEFWPRUGPHHTJP-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)[C@H]1C[C@@H]1CC	2022256715	PXIGAVBKOCEOPX-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)CCCC(C)(F)F)C1	2023314904	VCPFRVJCZSKFEC-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1CCCC(C)(C)C1	2024127937	IKVPDVCRFXVLLP-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2C[C@@H]3CCC[C@@H]32)n1	2026526039	BTULJQSGUVUGGI-AUZPSNTRSA-N	249.423	4.635	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H](C)[C@]12CCCC[C@H]1C2	2027024129	ZULVTTJGWAEJBR-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CCCc1ccccc1[C@@H](O)CCCC1CCC1	2027897772	JFTOJELYHTZLTO-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NCC)c1cccc(C)c1	2028253330	VWXBMEIAMMXOJT-IAGOWNOFSA-N	247.426	4.718	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](CC2CCC=CCC2)C1	2028872193	AUYSSPFXWSNXIB-HOTGVXAUSA-N	248.410	4.764	0	10	BJAE	
C[C@H](CCC(F)F)Nc1ccc2ccccc2c1	2029455313	KXYIBAFYNIHVCZ-LLVKDONJSA-N	249.304	4.686	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2CC(C)(C)CC3(CC3)C2)C1	2030289340	XRCZFIQWKKMIDH-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](C[C@@H]1CC=CCC1)C(C)(C)C1CCCC1	2032293768	RCDITLGQWYCBOE-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(F)c(C(=O)C(C)(C)C2CCCC2)c1	2032295235	FYJVTBBTXGHZKB-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H](C2(N)CC(C3CCCCC3)C2)C1	2033783943	OEBRXCXWYZEJEY-AKBUMOGYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NC2CC(C3CCCCC3)C2)cc1	2033833026	XRQWXILVUXSWLU-UHFFFAOYSA-N	243.394	4.766	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1C[C@@H]1C=CCCC1	2035590623	KUQGZANCOGQOLR-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](N[C@@H]1CCCCC12CCC2)C1CCC1	2035886196	OQCQDWXLTPIYGA-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCCNC[C@H]2CC23CCCC3)CC1	2036128909	OCBDIPXDZBNQDQ-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1n1ccnc1C1CCCCC1	2036775368	DOXGRBAECRQVDM-HIFRSBDPSA-N	246.398	4.682	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1ccc(CC(C)C)cc1	2037216535	KBRTXSBKFWVPDM-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)[C@H]1CCC2(CCCC2)C1	2037591151	ZUNUQAZDYYGOLL-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)[C@H]1CCC2(CCCC2)C1	2037594774	TUKCVIOWNVZRGE-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N([C@@H]2CCC3(CCCC3)C2)C1	2037673933	AHXYFAHNFJHQEC-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC2CC3(CCC3)C2)C1	2038077566	ADVDXSSJLOTQMH-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CNC[C@@]1(CC2(C)CCCC2)CC12CCCCC2	2039003714	UHMZOKOXOLSLQU-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCc1cccc(C(=O)[C@@H]2CCC[C@H](C)CC2)c1	2039372701	FPDBJSHXINJJJX-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CCN[C@H](c1ccoc1)[C@H]1CCCC(C)(C)CC1	2039380306	HNDRGEZVSLFKRB-ZFWWWQNUSA-N	249.398	4.537	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C1CC2(C1)CC1(CCC1)C2	2039425025	YJEAOQKUEHWVLF-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CC1(C)CCCCC1	2039439661	ZKWKWKFKNGRXTF-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@H]1C1CC1)C1(C)CCCCC1	2039858912	GEAFOCJHSPCMJP-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC([C@]2(N)CCCC3(CCC3)C2)C[C@H](C)C1	2041289685	KMFXLUBHGVGXNP-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]2CCCC[C@H]2N(C2CCCCCC2)C1	2041888702	YTQBMPCKXXESTN-BFYDXBDKSA-N	249.442	4.610	0	10	BJAE	
C[C@H](NC1[C@H]2CCC[C@H]1CC2)C1CCCCCC1	2042049408	FXPVHHPFBBMGFH-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1CC(=O)CCC1CCC1	2042743861	AYRFVANGXDBFKQ-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@](C)(N)C2CC3(CCC3)C2)C1	2043540255	JEAJVYJJFDENMX-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@H]2CCC3(CCC3)C2)C1	2043609005	XFSUNLMBWDNSRS-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@@H](N)[C@@H]2CCCC(C)(C)C2)c1C	2045380800	HOENRNWKEFWPGK-ZBFHGGJFSA-N	245.410	4.520	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CCCC(C)(C)C2)c1C	2045449152	IQJUKLVMFPLYRL-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
OC1(CC2CC=CC2)CCC2(CCCCC2)CC1	2045670787	JCODALHOWJCCRV-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CC1CC2(CCC2)C1	2045682476	NAAHWIDZQUHIIE-BBRMVZONSA-N	246.394	4.518	0	10	BJAE	
CCCC1([C@@H](NC)c2ccc(C)cc2C)CCC1	2045733645	UGKMGNXYIQWDIX-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2CC23CCCC3)CC1	2047006040	XQDYYOKAZUVFJT-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1(F)CCCCC1)C(=O)c1ccccc1	2047238195	CQARGHYRDUSIGK-CYBMUJFWSA-N	248.341	4.568	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)C1CC(C(C)(C)C)C1	2048621665	OMFJNQIDBNFIAE-URGYJCLVSA-N	248.410	4.620	0	10	BJAE	
CCCC1CCC([C@](C)(N)CC2=CCCC2)CC1	2049487100	PKRGRMULGKZTQU-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)[C@H]2CCC[C@H](C)C2)c1	2049535222	CWKNRJXWSGDVGD-MAZHCROVSA-N	245.410	4.930	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC[C@H]1C[C@H]1C1CC1	2049645925	STSNBICGKPGDES-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2CCC3(CC3)C2)CC1	2049857292	SHOPGZSPFBMEQF-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C(C(=O)C[C@H]2CCCC3(CC3)C2)C1(C)C	2049939372	AYDDJMFGKBCODQ-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@@H]1C)[C@@]1(C)C=CCCC1	2049996809	JJEWYQHGYDAAMO-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC(C)(C)C1CC1)[C@]1(C)C=CCC1	2049999021	AQGRBMGAYTYMBR-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@@]12C=C[C@@H](CC1)C2	2050009726	ZFKYDMNLVIGWCP-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC(C)(C)C1)c1ccco1	2050522133	GLKKKGAQKXNDTI-UONOGXRCSA-N	249.398	4.537	0	10	BJAE	
Cc1cccc(C=Cc2ccc3ccccc3n2)c1	2053510287	BUYDHKSWMQVBJU-UHFFFAOYSA-N	245.325	4.714	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCC1	2055591905	LVSSAJZLBXGKBQ-OSRSDYAFSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1Nc1ccc(CF)cc1	2055678886	WKWBSLOIGRQWGS-JKSUJKDBSA-N	249.373	4.783	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)CC(C)(C)C1CC1	2056879928	XQVQCELTSCTMEF-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(NC[C@H]2CCCCC23CC3)C1	2059393868	MGXIUISNJDUQDR-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
C=C=CC[C@H](CC1CC(C(C)(C)C)C1)NCCC	2059446375	HKDHAARTARYKKD-UYSNPLJNSA-N	249.442	4.548	0	10	BJAE	
C=C=CCC[C@H](NCC)[C@@]1(C)CC[C@@H](C)C1(C)C	2061560839	KSQHEVZHLYTBPN-HLLBOEOZSA-N	249.442	4.548	0	10	BJAE	
CN(CCCC1(C)CC1)[C@@H]1CCCCCC12CC2	2062195604	GTQLQMOLMRGCNY-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
O[C@@]1(C2=CCCCCCC2)C=CCC2(CCC2)C1	2063678772	UHZQQQHTLDZNTE-KRWDZBQOSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCCC23CCC(CC2)CC3)C1	2065260542	SIVQURAHRMHVAZ-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)CC12CCC(CC1)CC2	2065285805	JQFCJPNDEAPVML-YRTQGLMCSA-N	248.410	4.598	0	10	BJAE	
CC[C@@](N)(CC12CCC(CC1)C2)C1CCCCC1	2065334275	BQXZIADOOBCOHU-BDVYOWHSSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CC[C@]2(C)C[C@H]12	2065656047	DMYRFSYFEXIIMC-FRFSOERESA-N	243.394	4.585	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(C2CC2)cn1	2066076765	XQEBKWFOGYPWAB-HNNXBMFYSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)C[C@H]1CCCC2(CC2)C1	2068270593	AFDUMVAGJWHUAB-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)c1cc(C)c(C)o1	2068918064	YTUXKKSDFFCCDB-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
CCC1(CC[C@H](NC)c2ccc(C)cc2)CCC1	2069284964	MTZLRDORJABIMO-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCCC1)C1(CC(C)C)CC1	2069515002	VTUQNOXQZYNQLD-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNC1(C(C)(C)C)CCC1	2071882282	ZTCCLNBPOWOUGG-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1	2071923697	HPROFZUUZQWERJ-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@H](N)C2(C(C)(C)C)CCC2)cc1C	2071935317	ZDEYSOFYSSQHPC-HNNXBMFYSA-N	245.410	4.520	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(N)CCC23CCCCC3)CC1	2072798180	HGEVPSSTRSMAQQ-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCC[C@]1(C[C@@]23CCCC[C@@H]2C3)CCCCCN1	2074028964	KRQJCPYCOQCPGR-IXDOHACOSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1c(C)cccc1F	2076038300	AYBXHTNVSADKJL-OAHLLOKOSA-N	249.373	4.531	0	10	BJAE	
CN([C@@H]1CCCC1(C)C)[C@@H]1CCC12CCCCC2	2077362581	OHJOMAMZBJVROK-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CCC1(C[C@H](N)[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079516993	YGLOLBYFRAKMCM-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H]1C[C@H](C)c2ccccc2N1	2079669076	FAJDZJNJTPUFJJ-YJNKXOJESA-N	243.394	4.801	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2C[C@H]2C2CCCC2)CC=CCC1	2079849611	AARKZHBFEQWUBF-VYDXJSESSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC[C@@H](C=C2CCC[C@@H](CCN)C2)C1	2082981453	DDTYTRDDBKCPKR-HOCLYGCPSA-N	249.442	4.668	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cccc(C(C)(C)C)c1	2083551405	YDRXYWNLNIBILV-CJNGLKHVSA-N	248.410	4.844	0	10	BJAE	
COc1ccc(C(C)C)cc1C[C@H]1C=CCCC1	2083554542	HIKJKEPIWXATJC-AWEZNQCLSA-N	244.378	4.717	0	10	BJAE	
CCCC[C@H](CC1CC2(C1)CC1(CCC1)C2)NC	2083615940	RSWLVLUJLNOEPM-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@]2(N)C[C@H]3CCC[C@H]2C3)CC1	2086167573	GAIUNPLYNPGPJZ-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CC[C@](O)(CCCCCCC1CC1)CC1CC1	2213577472	BYJSIPUPIIOSQG-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC[C@H](O)CC1CCCCC1	2215237622	QUTLXSNHSWLTAZ-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@H](CC[C@@H]1C[C@H]1C)NCC	2215243973	GPYBGVZZUJQKBZ-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CC1(C)CC(C)(C)C1	2215390273	YZIJFKYVXMUMJL-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
CC1(C[C@]2(O)CCC[C@@H](C(C)(C)C)C2)CCC1	2216247185	JUTIBRHVKVFQDH-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CCC[C@@H](C(C)(C)C)C1	2216247252	KKMCTIXFHUKKFD-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)C1CCCC1	2216861117	TVKOFNLIBJKZPV-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](C)c1ccc(C)c(CCC(C)(C)C)c1	2218529218	FTIYZARDZMTJLU-CQSZACIVSA-N	247.426	4.644	0	10	BJAE	
CCCN[C@@H](C)c1cccc(CCC(C)(C)C)c1	2218535991	YQZQQAHUXPOEMI-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC1CCC(C2CC2)CC1	2218897159	RQKCPFWMCNAMCL-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C[C@@H]1CC[C@H]1C)c1ccccc1C(C)C	2220557309	GYJUOFBNQKCRBB-JKIFEVAISA-N	245.410	4.507	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@H](N)c1ccccc1C(C)C	2220962579	RITRUWQIOYWPRH-VBQJREDUSA-N	245.410	4.636	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C1(C)CC2(CCC2)C1	2221001368	HQVUAFRYFRSPGU-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](O)CC2(C)CC(C)(C)C2)cc1C	2221003884	OKALVUMALJCOKO-HNNXBMFYSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C[C@H]2CC=C(C)CC2)C1	2221609756	MLEUVUFVSKBPMK-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1	2222955130	QGXXQBPJGXWWOB-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C1=C[C@H]2CC[C@@H](C1)N2CCCCCCCC1CC1	2223122491	VAUVGAXXGFANGA-DLBZAZTESA-N	247.426	4.530	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CC(C)(C)C2)CC=CCC1	2223595702	NQMVIYSFSDLRTQ-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H](C)c1ccc(C)cc1	2223963657	KWYFZMIBKVMDNT-DOTOQJQBSA-N	247.426	4.657	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)c1ccc2occc2c1	2224175643	FGJJMJBKCBHHBT-AWEZNQCLSA-N	245.366	4.505	0	10	BJAE	
C/C=C/CCCc1cc2sccc2s1	2242454984	VSLCATDLQQCMIC-NSCUHMNNSA-N	222.378	4.862	0	10	BJAE	
CCC[C@H](O)CCCC[C@@H]1CCC[C@@H](C)C1	2242772636	KVUHUCWSLNFQSV-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCC[C@](N)(CC)CC[C@H]1CCC[C@@H](C)C1	2242814766	BNMFPQIYLSATRD-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCC[C@]2(C)O)C1	2246725416	HRTAQOMMUBAIFG-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@H]1CCC(C)(C)C1	2247168261	ZZRBLSFQBHDHFG-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CCCCC[C@@H]1C[C@H]1C	2248866356	OVBJGFYFJWEZFH-QLFBSQMISA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)[C@H](CCCC[C@H]1C[C@H]1C)NC	2250352805	OWJITWIGFLIMNY-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CNCC1(C)CCC(C)CC1	2250381686	AFGXGHYKVXYYHW-PCKAHOCUSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@@H](O)CC[C@@H](C)CCCC(C)C	2250477997	DKFAVFLCQUZFAU-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(N)CC[C@@H](C)C1	2250513761	JRGQKJYQSTWRST-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](F)(CN)C(C)C	2250529057	ONWUPANIUUFLCO-CABCVRRESA-N	245.426	4.552	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@]23CCC[C@@H]2CC3)c1	2251160698	AWWFYDXFDRTTFR-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@]12CCC[C@H]1CC2	2251182646	WACZKJRHGHXNMQ-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(C)(C)c2c1[nH]c1ccccc21	2251670101	UDEQJLHUYWLMBH-UHFFFAOYSA-N	227.351	4.517	0	10	BJAE	
Cc1ccc(C)n1[C@H]1CC(C)(C)CCC1(C)C	2251699358	CHBBOSOGMSSXON-AWEZNQCLSA-N	233.399	4.882	0	10	BJAE	
CC1CC(CCC(=O)CCCC[C@H]2C[C@H]2C)C1	2251760474	DDECZYKDTLWFBE-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
Nc1ccc(C=CC[C@H]2CCCCC23CC3)cc1	2253801003	HZGGRQURNBUKDO-OAHLLOKOSA-N	241.378	4.643	0	10	BJAE	
CC1CC(C)(C(=O)CC[C@@H]2CCCCC23CC3)C1	2253839565	OJCMDYNQLSQJNC-BBBYJDLNSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@H]([C@H](N)CC[C@H]2CCCCC23CC3)C1	2253861623	FSBALEGDZHLIQY-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@](C)(N)C12CCC(CC1)C2	2254598164	YXCOMWPSBILOLT-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@]1(N)CCC2(CCCC2)C1	2254609243	XENDQPJRSUCYPD-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C[C@@H]1CCC12CCC2)C1(C)CCCCC1	2254835304	BIMFZLUWWXGLES-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1CCC1(C)C	2255018596	PJXQEESDFUBRHV-HNNXBMFYSA-N	246.394	4.933	0	10	BJAE	
CCc1cccc(F)c1N[C@H](C)[C@@H]1CCC1(C)C	2256145522	YVABHSNNWWFNFP-YPMHNXCESA-N	249.373	4.625	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)CCCC2(CC2)C1	2257311088	KTBQETQRKIMWEL-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CCCC[C@H]1C[C@@H]1C)C2	2259583387	NEGQKRJTQQLTBE-LLRBONHFSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCN[C@H]1C1CC1	2259611538	BGAOHNGFUMDZJF-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](N[C@@H]2C=CCCCC2)C1	2261399363	ALSNPFMAWFLBOP-CABCVRRESA-N	249.442	4.680	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@@H](C)CC1CCC1	2298929956	FQVQCFOIHYTSIC-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CCC(CC)CC)C(=O)O	2300678156	HUDBEDDICRNGHI-HNNXBMFYSA-N	242.403	4.874	0	10	BJAE	
CN[C@@H]1CCC[C@H]1CC=C(C)CCCC(C)C	2300901662	LSCCKGQLZVHRTE-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@H]1CCC[C@H](CC)CC1	2300908146	ABBYMUPSYREDQZ-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CC(=CCc1ccc(O)cc1)CCCC(C)C	2300932974	YJWFLITWWIEXIC-UHFFFAOYSA-N	232.367	4.707	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CC1CCCCCC1	2301243007	YAODRKZWWPRIIZ-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CC[C@@H](N)[C@H](CC2CCCCCC2)C1	2301247897	UWXBXJKPTIYTAG-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C1(CN)CCCCCCC1	2301843493	JSJWIDGXHVDJCL-CABCVRRESA-N	239.447	4.604	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC(C)(C)C1)[C@@H](C)CC	2302674607	CGJPOCCMLBRMQY-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@H]1CCC[C@@H](C)CC1	2303620287	YJFOUIRZUOXVAJ-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)CCC2CCC2)C1	2304416355	SFTGNDCVXGMILA-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@H]1CCC[C@@H](C)C1	2306829861	BLEUCZBHIPLWOO-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CCC1CCC1)NCC	2307818195	YCWUOONXSOOZLE-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@H]1CC[C@@H](CC)C1	2307819659	OMOXRYBIHKAQLM-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H]1CCCC(C)(C)C1	2307832514	UBQJJTFBJFAFNR-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(CN)C1CCCCC1	2307846955	YGBDNBQELDYKNQ-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN)CCC[C@H](CC)C1	2307909620	VBTQEMPBJBOOJS-HRCADAONSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@H](CCC(F)F)C[C@@H](CC)CCC	2307910814	ZYTPFGYIMDJJRL-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CC[C@@]12CCC[C@@H]1C2	2310381754	KGCQASXTMIHLTA-BQJWPVKWSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC[C@@H]1C[C@H]1C1CC1	2311256023	BUTLRNGZVRSZLC-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C[C@@]23CCC[C@@H]2CC3)C1	2313342848	TXKRARPEIKJZOF-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2313343466	DVOQNWKDTJOYKS-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(N)(CC2CC2)CC2CC2)C1	2315440549	URVIIVNVJDYERY-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1(C(C)C)CC1	2315886588	ITQPDBXGAWIYOA-UHFFFAOYSA-N	245.410	4.967	0	10	BJAE	
CCC(C)=CCC(=O)c1c(C)oc2ccccc12	2316500261	XYNSSZAFLGEZSB-UHFFFAOYSA-N	242.318	4.670	0	10	BJAE	
CC1(C)CCC(=CC2CCCCCC2)[C@H](CN)C1	2316869046	DCNWTGYLJFUCFL-INIZCTEOSA-N	249.442	4.668	0	10	BJAE	
CC(C)c1ccc(F)cc1NCCC1CCCC1	2317935127	ZEIGSWUBRGRISZ-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N1CC[C@@H](C)c2ccccc21	2318002469	XPRATYSEUYDMKT-QLFBSQMISA-N	245.410	4.681	0	10	BJAE	
C1=C(CCCNCCC2CCCCC2)CCCC1	2318529369	PHEUDCTTZKRYNB-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CCC[C@@H]2CC[C@@H]21	2318548035	IIRYRDDNWYVFCB-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1CCCN1CCCC1=CCCCC1	2318590074	XCUVCFSUQZFTJT-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
Cc1ccccc1[C@H](O)CC[C@H]1CCC(C)(C)C1	2319028640	DJATYIFSJZPFFG-GOEBONIOSA-N	246.394	4.635	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H]2CCC(C)(C)C2)c(C)c1	2319121660	PEIPZVHDUMYSNJ-ZBFHGGJFSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CC[C@H]3CCCC[C@H]32)C1	2319326001	KROPDRZLMCBQHC-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NCC[C@H]2CC[C@@H]2C2CC2)cc1C	2319736506	FQNWWDHCBPQVIK-NVXWUHKLSA-N	243.394	4.542	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)[C@]12CCCC[C@@H]1CCC2	2320403856	REDDJYVDLUSVLT-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H]2CCC(C)=C(C)C2)CC1	2320410527	FMZNAHILFATOAY-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@@]23CCC[C@@H]2C3)CC1	2320413030	LUTAKTAJHXUBSU-INMHGKMJSA-N	246.394	4.662	0	10	BJAE	
Cc1c(F)cccc1NCC[C@@H]1CCC(C)(C)C1	2321613850	OVMNWNBFUIILAV-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCNC3(CCC3)C2)C1	2321631035	MEEXWWHJANUENA-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)CCC23CCCC3)C1	2321643080	UKZNGMQTXUIBTL-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cccc(C2CCCCC2)c1O	28767571	IUNQUUWKHLZGMW-UHFFFAOYSA-N	218.340	4.563	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)c1cc(C)ccc1C	36792113	ZGXQSOYZRVCHDY-HOTGVXAUSA-N	247.426	4.923	0	10	BJAE	
CCCCC[C@H](C)Nc1cccc2cnccc12	36953863	DOLGSJPKYFJIKH-ZDUSSCGKSA-N	242.366	4.616	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1cc(CC)ccc1CC	70440700	NOFWKZRRHAYWEJ-GUYCJALGSA-N	247.426	4.508	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@H](CC)C2)cc1	71105857	WGDNPLYFKGIPAQ-HOCLYGCPSA-N	231.383	4.630	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)[C@H]1CCCC[C@H]1CC	71163194	GRKAUTMUPZSSSR-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC(C)(C)C2)cc1F	79971147	BZKITPNAMWBYSH-CYBMUJFWSA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC2CCCC2)CC1	86939186	FYKACYKXPSBULS-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(c2ccccc2C)CC1	86950980	STSLGOHIDNYCMH-RDJZCZTQSA-N	246.394	4.563	0	10	BJAE	
CCCC[C@H](CC)CC1(CN)CCCCCC1	87946077	FHULMRRZBSHKDT-HNNXBMFYSA-N	239.447	4.892	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2CCCCCC2)C1	87946458	KMUDHAOCKNNGFF-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](O)c1cc2cc(C(C)(C)C)ccc2o1	88072353	KFPJUVZNLVBAIT-ZDUSSCGKSA-N	246.350	4.564	0	10	BJAE	
CCCC[C@@H](N[C@H]1CCC[C@@H]1C)c1ccccc1	109963770	FGTGFQRFCGCLIG-BHYGNILZSA-N	245.410	4.696	0	10	BJAE	
CCCCCC[C@@H]1CCCc2ccccc2[C@H]1O	109995023	MZTMGWYQVQOPBG-WBVHZDCISA-N	246.394	4.643	0	10	BJAE	
C[C@@H](CCNC1CCCCCC1)CC(C)(C)C	110236898	BRHIZDNYJBHMHM-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(O)C2CCCCC2)C1	122021947	CNOFYOYVXOICOS-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CC1(O)CC(C)(C)CC(C)(C)C1	124985589	CEQUNYOGLLJATD-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1CC(CC)CC	126379148	NBSCHEAORVSAAI-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCc1cccc([C@H](N)C[C@H](C)C(C)(C)C)c1	131591169	QEAXZDWZMVYHMR-XJKSGUPXSA-N	247.426	4.711	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)C(CC)CC	132628732	HVPHYUFYVGGPQM-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@H]1C(CC)CC	155814629	XIHLEDQOQDWCNN-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
C[C@H](Nc1c(F)cccc1Cl)c1ccccc1	225217113	OHMFWPHLYXILAD-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CCC(CC)CC(=O)CCC1CCCCC1	229444867	HZHXEYQGBMHQQX-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
C[C@H]1CCC[C@H]1CNc1ccc2ccccc2c1	230692173	QBMAWSKAZDASHX-BBRMVZONSA-N	239.362	4.688	0	10	BJAE	
CCC1CCC([C@@H]2CCNc3ccccc32)CC1	232922289	BCKMMOHCUDRVGN-NRXISQOPSA-N	243.394	4.802	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CNc2c(C)cc(C)cc21	233334441	HADOUGBRFHYEPW-SMDDNHRTSA-N	231.383	4.639	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@H]1CCCC[C@@H]1CC	253049122	SIGUCONBRXKWAQ-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
N#Cc1cc2ccccc2c2cccc(Cl)c12	260149206	PHBCZHKDAHPEQE-UHFFFAOYSA-N	237.689	4.518	0	10	BJAE	
C/C(=C/CCNC(C)C)CCCC(C)(C)C	300825734	HQPCICQTZVZMPB-UVTDQMKNSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cccc2ccsc12	302482303	YUOIKYHSTZVGRJ-RISCZKNCSA-N	248.391	4.761	0	10	BJAE	
CC(C)C(Nc1c(F)cccc1Cl)C(C)C	304401580	BJQSTHPPLPKJSU-UHFFFAOYSA-N	243.753	4.572	0	10	BJAE	
CCC1CCC(CN)(C[C@@H](C)CC(C)C)CC1	305899904	AEELPLBVBQRJJF-FHERZECASA-N	239.447	4.604	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1cccc(C2CCC2)c1	305927255	JAWKUJMUXLXHKQ-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cc2cc(C)ccc2o1	305991268	JGOMPBRTMVMUFK-LBPRGKRZSA-N	244.334	4.750	0	10	BJAE	
Cc1cc2cc(Cl)c(Cl)cc2s1	307472238	SZGXOELFRHPILF-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCc1ccccc1	308049978	AECFGXFVNZXXJB-MRXNPFEDSA-N	246.394	4.651	0	10	BJAE	
Clc1cccc(N[C@@H]2CCc3ccsc32)c1	309663499	ZIBYTTPZRRYURA-GFCCVEGCSA-N	249.766	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C1(O)CCC(C(C)(C)C)CC1	310092089	ALEUCIYTIBUAJO-VQCLRJIVSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC1CCC(C)(C)CC1	310292030	ZLARMBGWYHCJKN-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CCc1ccc([C@@](C)(O)C[C@@H](C)CC(C)C)cc1	310581269	UOOHNTSPDMRPKK-YOEHRIQHSA-N	248.410	4.529	0	10	BJAE	
CCCC[C@H](CC)C[C@@](O)(CCC)C1CCC1	322372392	JRPBHPLCPYHYNO-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCC1=CCCCC1	379581937	MNJYFOXIJLHVDS-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC)[C@@H](C)C[C@H](C)C1CCCCC1	380066921	ZEJZZOXJVQKPJA-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(NCCCCCC(C)C)c1	383191012	WTRKZPDIPJNMHH-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CCNC[C@H]1CCC[C@@H]1CCCCCC(C)C	383262190	XVKOOHAORAEZSS-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC1CCC(C[C@]2(N)CCCCC2(C)C)CC1	383439710	DJPCGDRGIRUZHZ-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)c1coc2ccccc12	384547737	ILUDSICSFBMGNQ-WFASDCNBSA-N	245.366	4.505	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC1CCC(C)(C)CC1	385263065	BBZOXCLBPOSVJZ-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
C[C@H]1CCC[C@@H](CCCC(=O)c2ccccc2)C1	385289588	ONJNOLHSKITNBZ-GJZGRUSLSA-N	244.378	4.866	0	10	BJAE	
C/C(=C/c1cc(Cl)ccc1F)[C@@H](C)Cl	388999520	YACPMFQZYFNWRC-GRKOMRHMSA-N	233.113	4.510	0	10	BJAE	
C1CCCC(CN[C@@H]2CCC23CCCCC3)CC1	389661088	UCDKERIUSAHDNE-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)c1ccsc1	391190161	FYWHDLNMPGCSJZ-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
CC1CCC(C[C@]2(N)CCC[C@H](C3CC3)C2)CC1	394142041	WHGOZMAHZNFPJT-YQEWQEHLSA-N	249.442	4.501	0	10	BJAE	
CSc1cccc2sc(C(F)F)c(C)c12	396406706	NJKTVKQWEZGWTE-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC(C)(C)c1ccc(NCC2=CCCC2)cc1	401071045	YSSRSRFMJNEFII-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
C[C@@H](O)c1ccc(-c2cccc3ccccc23)cc1	404764597	FNCFVVAKNSAVJX-CYBMUJFWSA-N	248.325	4.560	0	10	BJAE	
Cc1cccc(-c2nc(C(C)C)cs2)c1C	405184266	LTDPGVMWHFGVPX-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
C[C@H](Nc1cc(Cl)cc(Cl)c1)C(C)(C)C	687711554	REEBBYLMXBAMBW-QMMMGPOBSA-N	246.181	4.840	0	10	BJAE	
CCc1cc(C)cc(CC)c1NCC[C@H](C)CC	690207924	XRADUNRWTLQUGD-CYBMUJFWSA-N	247.426	4.968	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cccc(C)c2N)cc1	690320093	JGNHBGDLHGNFOX-GFCCVEGCSA-N	239.362	4.758	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCC1CCC2(CC1)CC2	695737747	KPXFWHPUBFGLRH-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@H](CC(CC)CC)C1CCCCC1	696857550	SWVRTJBQZVDEMX-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@H]1CC1CC=CC1	700807272	HAJIEBZMEAKNFW-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](C(C)(C)CC)C1(CC)CCCC1	701181403	TZLYLVVSUIFHIZ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](O)(CC2CCC2)CC1	703859896	UYBMURCITOIPPG-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@]2(N)C(C)(C)[C@H]3CC[C@@]2(C)C3)CCCC1	704467391	XYUQUZRNVWHFMO-JQFCIGGWSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)CC1CCC(C)(C)CC1	708324545	NLOZNUNEVUCKNZ-ZFWWWQNUSA-N	239.447	4.602	0	10	BJAE	
CCNC[C@](C)(C[C@H](C)CC(C)(C)C)C(C)C	709124234	MGJOZVMBQMTUHE-ZBFHGGJFSA-N	241.463	4.721	0	10	BJAE	
Cc1ccc2nc([C@@H](C)CC(C)(C)C)[nH]c2c1C	709125761	AMTAFJPIAVCTIG-NSHDSACASA-N	244.382	4.719	0	10	BJAE	
CC(C)CC[C@H](C)Nc1cccc(C2CC2)c1	709668391	FYOFOJCOBKUZPW-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@@H]1CCCC2(CC2)C1	709981550	YWBYSVUNGVICRH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C12CCC(CC1)CC2	710323790	NLVGLLPZQVWAJR-KRIMKBQASA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNc2csc(C)c2)C1	710729541	SDABPEDSIRQYRI-OLZOCXBDSA-N	237.412	4.685	0	10	BJAE	
Cc1ccc([C@@](C)(O)C[C@H](C)C(C)(C)C)cc1C	710799279	LVFCVXKRRUTBNO-YOEHRIQHSA-N	248.410	4.583	0	10	BJAE	
CCCN[C@H]1CCC[C@@H](CC(C)(C)C(C)C)C1	713171852	AAYJPKXKJBPYAF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](CC(C)(C)C)NCCC	713209543	CLULLLRWTBTVDI-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC1(CN)CCC(C(C)C)CC1	713215037	YVCRGOMRPIYTSR-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)c1csc(C)c1	713681774	UHTKKYPOYLVBGO-LQYUOIDQSA-N	249.423	4.620	0	10	BJAE	
C=C/C=C/CC[C@]1(CNC(C)C)CC[C@H](CC)C1	713723474	GCUKYSFEVUVESB-FNQZAJIHSA-N	249.442	4.703	0	10	BJAE	
NCC1(CC[C@H]2C[C@H]2C2CC2)CCCCCCC1	714884532	VUKIGMRQVFQCTC-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
C1CCCCCC(N[C@@H]2CC23CC3)CCCCC1	715281087	DCLZJLGLPSRBTI-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CCCN[C@H]1CCCC[C@H](C2CC3(CCC3)C2)C1	717564105	QFSPAXYPNUUXEQ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCNCCC1CCC(C)CC1	718520215	NWKQYAVAWMXRHV-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](CCCC(C)C)C(C)(CC)CC	721735269	GELXLQYFTSLXJK-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CNC[C@@H]2CCC=CCCC2)C1	1308975816	YUSWLKIBWSDNPD-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC=CCCCC[C@@H]1CCCC1(F)F	1885360982	HWZUIZNZWRFATI-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@H](C)CC(C)C	1900580967	ROSFFDDVUNTCJY-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H](CC)CC(C)C	1900700446	IXXJINIFHRMCIT-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CC1CCCCCC1	1901056129	VJGYYGQBSFCPAG-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(O)CCCC(C)(C)CC1	1910708543	XRTKBIVNXNSKTM-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](N)C[C@@H]1C[C@H]1C1CCCCC1	1910744391	ULTRQMOXQHPXIK-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)CNCC=Cc1ccccc1	1912037251	ORNYITDEMQUASB-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1CC2(CCCC2)C1	1912648897	VRCZOGYFIPBCRJ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H](C)c1ccccc1	1920205236	WACPOZYSQKGIPE-WBVHZDCISA-N	247.426	4.868	0	10	BJAE	
CCCC1CC([C@@H](CCC(C)(C)C)NCC)C1	1921270716	GJMGNDWBBWEWNX-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
Clc1cscc1C[C@H]1C=CCCCC1	1925869076	FPVOPNKCLLIPOZ-JTQLQIEISA-N	226.772	4.690	0	10	BJAE	
CN[C@@H](CCC[C@H]1C=CCCCC1)C(C)(C)C	1925945801	OBNJEYCXOFMUMB-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@H]1CC=CCC1	1926158976	DJPSWRPZZGSDQQ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
Clc1ccccc1CC[C@@H]1C=CCCC1	1932606282	FLEVWORIKREWJQ-GFCCVEGCSA-N	220.743	4.629	0	10	BJAE	
CCCC(CCC)N[C@H](C)[C@@H](C)CC(C)C	1939033558	INZUXPPAACCKQZ-UONOGXRCSA-N	227.436	4.616	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CC1(C)C)C(CC)CC	1940857065	SYBCEZMBBIPFOE-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)[C@H](C)CC(C)(C)C	1940873678	CQPIPCCVIBSLNV-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@H]2CC2(C)C)C(=O)C1	1940874649	VAPRXVZUPMPBDT-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@@H](C)c1cccc(N)c1)CC(C)(C)C	1940978350	DTWLFIQBPNJMDO-CHWSQXEVSA-N	233.399	4.835	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C(C)(C)C1CC1	1941138524	AZCUOMDXWNSHPS-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)[C@@H]1CCCC[C@@H]1CC)C(C)C	1941264467	LXGUBFLLVMRNRT-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(CC)C(=O)c1cccc(C2CC2)c1	1941531169	PRZOASOUAAHNFD-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
C[C@@H]1CC[C@@](O)(CCCCCC2CC2)C[C@H]1C	1941579371	NCWYALDNMCLPLH-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)CCC(C)(C)C	1941588111	YPXBKHFXICODQG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CCCCCC1CC1	1941590672	DGHYTZHFKOMXJV-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CCCCCC1CC1)c1cccc(N)c1	1941597562	SNBGVJJSYSUWDJ-CYBMUJFWSA-N	231.383	4.733	0	10	BJAE	
CC(C)c1ccc(NCC(C)(C)C(F)F)cc1	1941609023	ZZFBZAPZLZKHAB-UHFFFAOYSA-N	241.325	4.513	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@H]2CCC(C)(C)C2)C1	1945582309	LTIVGFDTGVEPJJ-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](CN)CC[C@H](C)C1CCCCC1	1945764062	WTVPEIKMAVXLTG-GJZGRUSLSA-N	239.447	4.604	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)NCC(C)(C)CC(C)C	1948329048	YKTLRPZKCUDQFM-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCCCC[C@@](C)(N)[C@H]1CCC2(CCCC2)C1	1949551206	IUDFMNNGFKCGMI-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C1CC1)C(C)(C)C	1949831738	RIGCKRDXEQFHDL-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](O)CC2CCCCC2)CC1	1950912612	ZEUURWJOLBFFKP-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CN(C)Cc1ccc(C)cc1	1963228767	LETSLZLXFOBOKR-MRXNPFEDSA-N	247.426	4.643	0	10	BJAE	
Cc1cccc(N[C@H]2CC[C@@H]2CC(C)C)c1C	1968249624	DMTVDYOBQLQUAA-ZBFHGGJFSA-N	231.383	4.540	0	10	BJAE	
C[C@H](c1ccccc1)N(C)CCCC(C)(C)C	1968436888	PTIXZSOWJMLZBS-CQSZACIVSA-N	233.399	4.506	0	10	BJAE	
CCC(C)(C)CCNC1CC(C)(C)C(C)(C)C1	1970860458	QCYDGSOCTSFDCN-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCNC(CCCC(C)C)CCCC(C)C	1978532186	VCBRHFWYMNSVPN-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(CC)C[C@@H](N)c1ccc(Cl)cc1	1980689377	HHHYHCANLAMCDG-CYBMUJFWSA-N	239.790	4.556	0	10	BJAE	
CCC[C@H](C)NCC1(C)CCCCCCC1	1981428881	XCUQDUKIRJGQAI-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC(C)(C)CN(C)CC(CC)(CC)CC	1985602483	XRHLOEVGVCKBQD-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CC(C)=C(F)CNc1cccc2ccsc12	1989655473	PNIYSJGHSMGWNC-UHFFFAOYSA-N	235.327	4.577	0	10	BJAE	
CCCCC[C@H](CC)NCCCCC(C)C	1990093245	IZLOPFMDRUUKBV-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCCCC[C@](O)(CC)CCCC1(C)CC1	1990096857	BXAXXRQIVKHXQQ-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
Cc1ccc(-c2cc3sccc3s2)c(N)c1	1994739729	YVUXACZKBSTJNT-UHFFFAOYSA-N	245.372	4.520	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2CC[C@@H](C)C2)CC1	1996266655	CNGVPAGQOQDZSK-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
C[C@H](N[C@H](C)CC1=CCCCC1)c1ccsc1	1998381665	YGHKXQGFAKIGLZ-OLZOCXBDSA-N	249.423	4.678	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@@H]1CC[C@H](C)C1	2000309909	PXIFKJUGCOGGTE-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CCC(C)C)CNCC(C)C	2000514825	OEZFHZLHZLEWJU-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@](O)(CC)C[C@]1(C)CCCC1(F)F	2002576701	OCPSEKPADQAUTC-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCCCC23CCC3)s1	2005567014	YZNSOFWQAHXADJ-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CC1=C(C)[C@](O)(CCC2CCCCC2)CCC1	2006952252	FIHRCSSOVNVOOC-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCc1ccc(NC2CC(C)(CC)C2)cc1	2009296759	JCDNHKUNNVORDZ-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O	2009593626	NXYSDSQKECDWLT-RBSFLKMASA-N	238.415	4.556	0	10	BJAE	
CC=CCCC[C@H]1CCCCC[C@@H]1CNCC	2009616091	FZHGUHXOYBXHRD-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@H](C)CC[C@H]1NCC	2009628891	PAADIGNUJUEQFX-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCC[C@H]2CC)C1	2009715194	ZMASTWKBIWMHNB-KNIAUWFNSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCCCC12CC2	2011287392	YAGXMORVFAHQOJ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)[C@H](C)CC(C)C	2013265103	SXCCFYVQQMUNGH-OWCLPIDISA-N	241.463	4.862	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H](C)C1(C)CCCC1	2014394189	QBLPGUYRNJYXNE-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)CC(C(C)C)C(C)C	2015278966	SUMHKPPAWGBGCE-GOEBONIOSA-N	242.447	4.738	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CC(C(C)C)C(C)C	2015283705	GZFGMNHTQFEAIM-GDBMZVCRSA-N	241.463	4.704	0	10	BJAE	
CN[C@H](CCC(C)C)CCC(C(C)C)C(C)C	2015356852	IPNGQSYBVHNSDU-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC(=O)CC1=CCCCC1)C(C)C	2015379190	NQIFDBNIPUDWHV-UHFFFAOYSA-N	236.399	4.764	0	10	BJAE	
CCCCCC1CC(O)(CC2(CC)CCC2)C1	2015593320	BJSAWTYFGRTJPQ-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CC1(CC)CCC1	2015599903	TUYRSWJBCNHPPD-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@](C)(CCC)CNCC)CCC1	2015642941	WHKOQEGABKQASL-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1(CC(C)C)CC1	2015753874	XOGPECPOYFCPME-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1(C(C)(F)F)CC1	2016738688	SXPZYTWDRFAXAS-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCN[C@H](CCC)CCC1(C(C)C)CCC1	2017146298	RFEKYYLOFUJCLW-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1(CC(C)C)CC1	2017489264	FTRHJVKIFREMGF-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C[C@](O)(CC)CC2CC2)CC1	2017647420	FMHSIKHZQGEGRL-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CNC)C[C@H]1CC[C@H](CCC)CC1	2017729662	YZBNIMXXOHWJBB-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CCC[C@]1(N)C[C@H]1CC[C@H](CC)CC1	2017729729	ZQNSFINRBUSWFP-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@H]2CC[C@H](C)CC2=O)CC1	2017777135	YXRRBUKYUJJPCH-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)Nc1c(F)cccc1F	2018127446	GIJCDKAAAMAZEW-NSHDSACASA-N	241.325	4.736	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H]1CCCC[C@H]1CC	2018129615	KGWNPRGSQBZPEH-OWCLPIDISA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@](N)(CC)CC(C(C)C)C(C)C	2018134769	RPOGMANICKYXMH-MRXNPFEDSA-N	241.463	4.993	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@H](CC)CC(C)C	2018990639	NYLJWYNDLDNLQZ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@](N)(CC)CC2CCCCC2)CC1	2019002615	UBHLDTNOZOPWFN-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CN(CC1=CCCC1)C1CCCCCCCC1	2019361967	LHGVOUHNZBZHRH-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H](C)C1CC(C)(C)C1	2019382402	OXSHVKUEKLCDHW-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H]1CCC[C@@H](C)CC1	2019414171	KGQFGJVJSWQICL-PMPSAXMXSA-N	239.447	4.712	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCC2=CCCCC2)C1	2019769405	QWHNMDXQOTZKCP-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1CC(CCC)C1	2020967146	QXUNRJXBDIFDRS-BCLQGDPASA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1C[C@H]1CC1(CN)CCCCCCC1	2022499683	SETAIGJMMNRIRY-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CCCCN(CCCC)CCCCC(C)(F)F	2023436912	IZTGYRAUZJATON-UHFFFAOYSA-N	249.389	4.714	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1C[C@H]1CCCC(C)(C)C1	2024091481	JAGSUAJBMLOJDF-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC1CC(C)(C)CC(C)(C)C1)NC	2024100897	GPNFAZZRHSMLBQ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CC[C@H](C(C)C)C2)c1	2025572028	MUNCQFYYXVNQFU-GJZGRUSLSA-N	231.383	4.540	0	10	BJAE	
CC(C)[C@H]1CC[C@](N)(CCCCCC2CC2)C1	2025628100	AQBAOBULQOLXIO-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CCCC[C@@H]1C	2026074083	KLJBIFBVRHVZGC-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1CCC[C@H](c2nc(CC3CC3)cs2)CC1	2026537596	GLYAQIRKZFSBKC-AAEUAGOBSA-N	249.423	4.779	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)Cc1ccccc1C(C)C	2027498063	ANPGUXFKUVBVHV-YOEHRIQHSA-N	247.426	4.506	0	10	BJAE	
CCc1cc(NCCC[C@@H]2CC2(C)C)ccc1C	2027821998	OCGFRJCMWMUMLF-OAHLLOKOSA-N	245.410	4.796	0	10	BJAE	
CC(C)(C)C[C@@H]1Nc2cc(C(C)(C)C)ccc2O1	2027860679	PIVFBBXXBNUQKV-CQSZACIVSA-N	247.382	4.551	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)c2cccc(C3CC3)c2)C1	2028557709	PUXMCYZPXKFNMK-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
Cc1oc(C)c(C(=O)CCCCCC2CC2)c1C	2028626963	YRWAWGZXBWXDOK-UHFFFAOYSA-N	248.366	4.748	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(N)C[C@@H]2CCCC[C@H]2C1	2034162204	RTLIJLGKAPZBKW-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(N[C@@H]2CC23CCCC3)CCCC1	2035885511	LIUZUGDXGBQDBC-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
C[C@](N)(C1=CCCCCCC1)[C@@]12CCCC[C@H]1C2	2037073472	CGSVRIRUMDNIDJ-YESZJQIVSA-N	247.426	4.565	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CC[C@H](C)c2ccccc21	2037217021	WOABOQMRILJLMB-GUYCJALGSA-N	245.410	4.564	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)[C@H]1CCC2(CCCC2)C1	2037689532	GKFAPYHVYCBEEP-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CC1C[C@@H]2C[C@H]2C1	2038326886	IQSOTILFAFVFBJ-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2C=CCCCC2)CC1	2039033299	UWJRXCLQHSXPPD-ZACQAIPSSA-N	249.442	4.824	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@H]2CCC[C@H](C)CC2)c1	2039377403	VDSZMWVDSHOJCH-WFASDCNBSA-N	244.378	4.703	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CN[C@@H](C)C1CCCCC1	2039445811	AMANWRBLDJJHCE-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@H](N[C@@H]2CCCC3(CCCCC3)C2)CCC1	2040767252	OZLVRVMFBYENAH-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)[C@]1(C)CC=CCC1	2042015944	FLDDDGABFIUDSB-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC1(C)C)[C@]1(C)CC=CCC1	2042018667	HWBDGALNCNLXSB-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NC[C@@]2(C)CC=CCC2)C1	2042072508	QGDQAYWXQNNDND-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1=CCCCC1)NCCC[C@H]1CC1(C)C	2043193031	FQAJKMJYWNEEGD-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2045682200	JGLLQZSCZKPTRJ-DZQJYWQESA-N	248.410	4.620	0	10	BJAE	
CC1(C)CCC[C@]1(CN)C[C@@H]1CC12CCCCC2	2047013850	YCNLGBSXFBLSTC-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC12CCCC2)C1(C)CCCC1	2047019633	KCZRBCMYGAOLRM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CCC23CCC3)C1	2047937154	VTDDJECCSPLDNL-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@H]1[C@H]2CCCC[C@H]21	2048472597	CTHHKUVTXBAAQZ-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CCCC3(CC3)C2)CCCCC1	2049849643	RVFJEECNINHZPJ-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1CCC2(CC1)CC2)C1(C)CCC1	2049866436	PGEYPZJFKGSFKL-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CC)[C@@]1(C)C=CCCC1	2049999072	YXGFYQALRURPKE-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@@H]1CCCCC12CCC2	2053410526	FUXAALXDHWSLOZ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC1CC1)[C@H]1CCCCC12CCC2	2053421456	UWHBUKHDSDLENF-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@H](C[C@@H]2CCC=CCCC2)C1	2055038638	JVLKCJVTIRGSAS-YVSFHVDLSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H]2CCCC(C)(C)CC2)CCC1	2055552729	RVNXLSZGJIDDIT-HOTGVXAUSA-N	249.442	4.824	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@H]1CCC(C)(C)C1	2060921432	LIVGUOUDANKHDJ-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C1CC1)[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2061088407	MRAWBIDUFIYZHM-DZGCQCFKSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)[C@@H]2CCCC2(C)C)CC1	2061090014	XPNUTDTXOMAARC-KBMXLJTQSA-N	249.442	4.523	0	10	BJAE	
CC[C@](N)(C1=CC[C@H](C(C)C)CC1)C1CCCC1	2061110095	AXZBQWFFMYIDBL-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@]1(N)C1=CCC(C)(C)CC1	2061120198	VTRPJCOOIIMQBN-LXZKKBNFSA-N	249.442	4.523	0	10	BJAE	
CC1([C@@](C)(N)CC[C@@]23CCC[C@H]2C3)CCCCC1	2061616630	KUFYXQYAYZGRFV-BHYGNILZSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1C[C@@H]2CCC[C@H]2C1	2063407942	UEUOBWLEHHNFIN-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc(NCC2C[C@@H]3CCC[C@H]3C2)c1	2063471749	OPBDKOBDRLYXFC-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
C[C@@H](C(=O)C1CC2(C1)CC(C)(C)C2)C1CCCC1	2063803209	GHZCYMIYYAPYNE-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@H]2CC23CCC3)cc1	2069168857	TXGXVWZXTPOPHD-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2CC23CCC3)CC1	2069194002	QDIFZVBHCIQXRQ-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2C[C@@H]3CCCC[C@H]32)CCC1	2069335134	LDABBSUKOSEXEF-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CC[C@H]2C[C@@H]12)C1CCCCC1	2071182351	COHDJLUNZNKDOP-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1(C(C)(C)C)CCC1)[C@H]1CC=CCC1	2071944998	CCXGRSCHRSXIAH-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@H]3C[C@H]3C2)CC1	2072800950	JHVHTNHZATVITD-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@H](NC)[C@H]2C=CCCC2)CC1	2072801421	NVHHJVOFTHGRER-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(CNC3CC3)CC2)CC1	2072803494	IRZRPGSKKKFYQR-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(N)CC3(C2)CC3(C)C)CC1	2072806461	MBWREIWFSJCYIV-RBAWDMFTSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)C[C@H]3CC[C@H]2C3)CC1	2072807250	UFIWPBGUAUKBCI-WOYTXXSLSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCCC23CCCC3)CC1	2074623194	FRLRHDKLKGIZMB-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)CC12CCC(CC1)C2	2074641646	LARHDRCFEQBRGS-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CCC12CCCCCC2	2074899480	KXPOVINEZKNSPJ-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1cccc(C2(C)CC2)c1	2079648970	DEQNWGPDMVUVAC-KBPBESRZSA-N	243.394	4.586	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@H]1C[C@H]1C1CCCCC1	2079702592	RCJAYMPFDBKOOG-PVAVHDDUSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](CC)[C@@H]1CC1(C)C	2081947953	YCQJAEIYJMCUIJ-KBPBESRZSA-N	249.373	4.625	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)C[C@H]3CCCC[C@H]32)C1	2082982423	KUMBQFCAZVUQHY-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1sc(C)c(C)c1C	2211702164	RFDBAJCRDCESOA-TVQRCGJNSA-N	240.412	4.533	0	10	BJAE	
O[C@H](CCCCCCC1CC1)CCC1CCC1	2213575013	AOGPNOFZRZJTPJ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
Clc1ccc(CCC=Cc2ccccc2)cc1	2213825322	RZHUSQZGHBYAGY-UHFFFAOYSA-N	242.749	4.986	0	10	BJAE	
CC(C)CC[C@@](N)(CCCCC1CC1)C1CC1	2214565910	QVLPCADUFYMMNE-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NCC1(CC2CCCCC2)CCC1	2217147402	JEMNHJFVFQWXOK-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](CNC1CCC1)C(C)C	2217154769	WWEBOCWWVKEACO-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1C[C@H]2CCC[C@H]1C2	2218729978	BILSOQLIDJLPMF-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cc(N[C@H]2CCC[C@@H](C)CC2)ccn1	2220884710	FJSCTFJGGVWTRN-KGLIPLIRSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1ccc(C2CCC2)cc1	2220932852	OKJWPWKCZSZEGX-CJNGLKHVSA-N	243.394	4.802	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2C=CCCCCC2)CC1	2221638852	VCAVUEMGUMSAPZ-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCNCCC=CC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222974016	SUBQJYONVITUGX-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@H]1NCC1=CCCCCCCC1CC1	2223115408	XRYGUUMOWHJSKK-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C)C1(CNC2CCC2)CC2(CCC2)C1	2223539326	LFIWOGRSOSRAGL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)C(=O)CCCCC(F)(F)F	2244785768	XYPGSCALHSLYKI-JTQLQIEISA-N	238.293	4.505	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(C)(C)CCN	2244839042	XSKNLWBDZNPUJB-CQSZACIVSA-N	227.436	4.604	0	10	BJAE	
CC(C)(C)[C@@H](N)CCC[C@@H]1CCCCC12CC2	2246623987	AMHBEKJJKCORBM-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(O)(CC[C@@H]1CCC[C@H](C)C1)C(C)C	2246690853	GAOLWQYBPRMCPK-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CC[C@H]1CCC[C@@H](C)C1	2246691944	JTJAEIZAHACEOV-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CCC[C@H](CCCCCNC(C)(C)C)C1	2246725552	HJVUBVVCDLEJEY-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](O)(CCCC[C@@H]1C[C@@H]1C)C1CCC1	2247128096	JTGPTINKQXOGIU-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@@H]1C)CCC(C)C	2247172825	BMFVOPWFDDVSPJ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C(=O)C[C@@H]1CCC1(C)C)C(C)C	2247379800	PLCMAZCCJQTFFG-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(C)CCCCCN1	2248869367	HNVAATHBVJDDNK-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(N[C@@H](C)C2CCCC2)cc(C)c1C	2249495195	CDAPHANIVOAQNG-AWEZNQCLSA-N	231.383	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@H](CN)C1	2250469791	SPGYTXNROVFKDZ-XHSDSOJGSA-N	239.447	4.604	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](CO)CC(C)C	2250488840	RPHMPOFAUAMJQW-CVEARBPZSA-N	242.447	4.884	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@@H](C)CC1CC1	2250489161	VZFUDUADASNOEY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(=O)C[C@]12CCCC[C@@H]1CC2)C(C)C	2251159513	UMASTFCBHPIGBD-IJEWVQPXSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](CCC(F)F)C(C)C	2253254335	ZXHLLVVSHNTRJT-CHWSQXEVSA-N	249.389	4.615	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N(CC)c1ccc(F)cc1	2253416678	PVFJQWSEOXLMJP-XJKSGUPXSA-N	249.373	4.621	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@@H]1CCCCC12CC2	2253811369	VVYRNSFBUURREJ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C(CC[C@H]1CCCCC12CC2)CC1CCNCC1	2253888157	CVWSDJFCARRTMF-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)[C@H]2CCC3(CC3)C2)C1	2253931076	PLOZIMQSCMASKP-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@H]2C[C@H]3C[C@H]3C2)C1	2253931594	RJBHORXXFKEBTQ-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CC)C[C@@H]1CC1=CCCCC1	2255091037	GHVJAUFXFYOKHL-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)CC[C@H]2CC[C@H]1C2	2257312279	RFNAQSCBZPMSPM-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(NCCCCC[C@@H]2C[C@@H]2C)c1F	2257342698	UUYQPTQFRRRKFS-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CC1(C)CC[C@@H]1Nc1cccc(C2CCCC2)c1	2260735339	JTKOCKPNKWODCO-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@H](C)CC1CCC1	2298919136	BHTHCWXYVFDCSD-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC1CCC1)C(C)(C)C	2298937514	YZWAJXOXVXREDJ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](CNC1CC1)CC(C)C	2300676787	SBMMBHYMZYWKSX-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C1(CC)CCC1	2300691464	UORYTMMVUXYZEQ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCC1CC1)CCC(CC)CC	2300698409	ZZOZRQGNTOKHBZ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H]1[C@@H](CC=C(C)CC)CCC1(C)C	2300899492	OSIRKUVMCORNOG-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)n1ccc2cc(F)ccc21	2301831762	GDCDWZGVRZACJU-NEPJUHHUSA-N	233.330	4.634	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)CCCC1=CCCCC1	2302356862	RSESAQBQLZQYOZ-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
CCc1cccc(C)c1NCCCC1(C)CC1	2302459521	MNKBETKUVFCWKH-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CCCC(C)(C)C(=O)CC[C@H]1CC[C@@H]1C1CC1	2303161014	LEJJQFADMGKJGM-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H]1CCCCCCC[C@H]1O	2303569494	SJULVXBNPUQVOI-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H](C)c2cccs2)CC1	2303598250	ZXJWKAMWDCBSMF-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H](CC1CC1)C1CC1	2303792040	LMWKGBAOEAZHCE-OAHLLOKOSA-N	249.785	4.639	0	10	BJAE	
CCC(CC)(CC[C@H]1CCC(C)(C)C1)CNC	2304429797	ZYZQXJNPZMKODV-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
C1=CC[C@H](c2nc([C@H]3CC34CCC4)cs2)CC1	2304496827	HWINCFVPPOSQSE-NWDGAFQWSA-N	245.391	4.624	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CC(C)(C)CC[C@@H]1C	2307836389	YRPRLWQOGOTDHJ-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1C(C)=CCC[C@@H]1C	2307839271	WYQPQMODWWNUIB-VGWMRTNUSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](CC)CC[C@H](N)c1ccccc1C	2307900264	UQTXTJKFVCVKMZ-HOCLYGCPSA-N	233.399	4.601	0	10	BJAE	
CCC[C@H](CC)CC1(CNC(C)C)CC=CC1	2307900782	WECAFDUZEAOOLE-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@H](C(C)C)CCC1=O	2307906288	DBHPRFKHHOQCHS-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CC1(C[C@@H](N)C[C@@H]2C[C@H]2C2CCCC2)CCCC1	2311583771	KRBAQTSPCJHRHT-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1C[C@H]1C[C@H]2CCC[C@H]1CC2	2316871421	APZZTCAQAZWXKS-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@]1(CNC1CCC1)CC1CCCCCC1	2317000316	BIDHDQSMQIUBOB-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCCCCC1)C12CCCC1CCC2	2317009722	KSBBIGIEZZPJAQ-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCCC(CCC)CNc1cccc(OC)c1C	2318404280	CICBXGKMKFADGR-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CC1(C)C[C@](N)(CCCC2=CCCCC2)C1(C)C	2318537308	IZKAYUXJETZPMN-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1[C@@H](N)CCCC1=CCCCC1	2318596520	AHSAWTUGAGSMOA-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@@]12CCCC[C@@H]1CC2	2318871783	IBIGOKPUUZZTAP-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)C1=CC[C@H](C)CC1	2318937040	VETKGKFTGGNFTF-XOSAIJSUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCCC[C@@H]2C[C@H]21	2319442712	FSPJTROPYZJXJQ-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C[C@H]1CC[C@@H]1C1CC1	2319492519	OXJMGXVYPNTEHG-IJEWVQPXSA-N	248.410	4.598	0	10	BJAE	
CC[C@]1(C[C@H]2CCC(C)=C(C)C2)CCCCCN1	2320348254	OQWWJWJTAVXUKR-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)C[C@H]1CC1(C)C	2320402882	WPGYVMMTDDYCNU-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@H](O)Cc1cccc(C(C)C)c1	2320633730	LPRAKGNSOXLIQP-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
CC[C@@H](C)c1ccc(C=CCCC(C)(C)O)cc1	2320797312	VCAYCXADMGTGSD-CQSZACIVSA-N	246.394	4.764	0	10	BJAE	
CC1([C@@H](N)[C@H](CC2CC2)C2CC2)CCCCCC1	2320815305	ZPKSLXOOKPEOHF-CVEARBPZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@@H]1CCC[C@@H](C)[C@@H]1C	21795787	KSUCEWVVXRBTJW-IBEHDNSVSA-N	239.447	4.616	0	10	BJAE	
CCCCCN[C@H](c1ccccc1)C(CC)CC	37107616	VXTWAFCSVISSQS-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)cc1)C1CCCCC1	37202840	SUAJINHGEWXTPB-LLVKDONJSA-N	237.774	4.721	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](c1ccccc1)C(C)(C)C	37292273	XWQNJVQGSWPBMW-ZBFHGGJFSA-N	247.426	4.942	0	10	BJAE	
CCCCCOc1ccc(C(C)(C)C)cc1	59693662	OTYZAPHPNFZBCA-UHFFFAOYSA-N	220.356	4.553	0	10	BJAE	
Cc1ccc(C(=O)[C@H](C)C(C)C)c2ccccc12	79904137	GMCQSAVLVAKFAU-CYBMUJFWSA-N	240.346	4.623	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)CC(C)(C)C	82674675	BMMJSJKNUQHJTB-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@H](C)[C@H](C)C2)c1	84981893	HSNHYQJBHYTXRO-RRFJBIMHSA-N	231.383	4.540	0	10	BJAE	
CCC[C@@H](CCC1CCC(CC)CC1)NCC	85082866	RQLSISMNKWKFPW-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC(C)(C)CC(C)(C)C)[C@@H]1C	85098030	LMMHGIKBXYEGLW-MGPQQGTHSA-N	239.447	4.616	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H](C)C1CCCC1	85388091	XXVCPXMKOMUVPU-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCC1CCC(Oc2cc(C)cc(C)c2)CC1	87439746	WUXLBPOEFJCXGO-UHFFFAOYSA-N	232.367	4.651	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1CCC(C)CC1	109736798	OQJGNLBWOBTPGL-GYTBAZASSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)c1c(C)cc(C)cc1C	109946577	MAWXVHJSDHUVKR-CVEARBPZSA-N	247.426	4.841	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CNCCC)C(C)C	110185388	NXAOWHPULQYSJV-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H](C)C(C)(C)C)c(C)c1	111646310	IIFSJMLPTQSYBG-AWEZNQCLSA-N	246.394	4.867	0	10	BJAE	
CCC[C@H](N[C@@H](C)C1CCCC1)c1ccccc1	112392331	FZOIDZIARORJNG-YOEHRIQHSA-N	245.410	4.696	0	10	BJAE	
Cc1cccc(C)c1Cn1ccc2c(C)cccc21	128794571	RTCKSSVRJOUZJM-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H](C)C2CCCCCC2)C1	149903009	GTVJAXADGBXNEB-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C[C@@H](O)C1CCCCCC1)CC(C)(C)C	157263512	LOXQJXCGVUFELY-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CCC(C)C)CCC1CCCCC1	158734216	IXAIQZDOQWUTEA-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1CC[C@@H](CC)C1	227466960	LXBRCYNTJBMPHS-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)c1cc(C)cc(C)c1	229495824	ZMZVYKQECNINKJ-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1c(C)cccc1Cl	229639225	HRHNBJOMEYBYAE-DGCLKSJQSA-N	237.774	4.639	0	10	BJAE	
C[C@H](CC1CCC1)Nc1ccccc1C(C)(C)C	229677120	MZGAWFHXCVPQIZ-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	251742990	GINYFYJRKXBWSL-AALSBFMBSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@H]1CCCC[C@@H]1CC	253025858	DCDFTZGFERXPNJ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CNc1ccc(Cl)c(F)c1	300840182	DCSKWCUCTYCOSF-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cccc(C2CCC2)c1	302293162	CZDLJKSLZLBHIC-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@H](C)CC(C)C	302303037	HMLBKWVZRIXOAU-ZDUSSCGKSA-N	229.367	4.632	0	10	BJAE	
CCc1ccc(N[C@H]2CCCCC2(C)C)cc1C	305955717	DOUPIKMAWBQPAI-INIZCTEOSA-N	245.410	4.938	0	10	BJAE	
Fc1cc2cc(Cl)cc(C(F)F)c2s1	306583451	QZEUSAMZVHTYJC-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
Cc1ccc(S[C@H]2C=CCCCCC2)c(N)c1	310061526	SIRJSZBZCAUZII-ZDUSSCGKSA-N	247.407	4.558	0	10	BJAE	
CCCCC[C@@H](C[C@H](C)C1CCCCC1)NC	310537650	BDOGXQOZRQTGTF-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](O)(c1cccc(C)c1)C1CCCCCC1	310661537	FWJSFEYELQWYMO-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CCC[C@@H](Nc1cccc2ccccc12)C1CC1	310712210	LLSKTUPAPRPRQG-MRXNPFEDSA-N	239.362	4.830	0	10	BJAE	
CC(C)CCCCC[C@]1(C)CCC[C@@]1(C)O	313158206	VDZTUEUYHGGVCC-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)C(C)(C)[C@H]1CC[C@@H](C)CC1=O	319622806	MWZVQLJNDLRMBB-RFGFWPKPSA-N	238.415	4.700	0	10	BJAE	
CCC[C@](O)(C1CCC1)[C@@H]1CCC[C@@H](CC)C1	322368597	IVZSVOMIWACZGV-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)C[C@@H](C)CC(C)C	382681931	UTFNBWYTVNVEBC-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCCC(=O)C1CCC(C)CC1	383141617	MLXAHNIGBRMENP-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C[C@H](CNc1cccc(C(F)F)c1)C(C)(C)C	386168632	MKRCSKJLHORMCS-SNVBAGLBSA-N	241.325	4.718	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)c1ccccc1C(C)C	386684734	YVBICTONXNZSLU-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
Cc1cscc1N[C@@H]1CCCC(C)(C)CC1	387371011	WOFCNIKWSGLGLM-GFCCVEGCSA-N	237.412	4.827	0	10	BJAE	
CCCN[C@H](C)/C(C)=C\C1(C)CCCCCC1	394808626	YOYRLNDPTVKBRW-SEWDUPMJSA-N	237.431	4.681	0	10	BJAE	
CCc1ccc2sc(C(F)F)c(S)c2c1	396256684	YAEFDMRRTSVZTF-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1ccc2ccccc2c1	398149792	NASSNWBMEFZVJO-ZDUSSCGKSA-N	239.362	4.830	0	10	BJAE	
CN[C@@H](CCC1CCC1)C[C@H](C)CC(C)(C)C	398910450	LBQFSRKEQCCJSG-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](Nc1ccc2c(c1)CCCC2)C1CCCC1	404650452	QGUKCLGRQPZBLD-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1CC2CCC1CC2	691749409	JILITQCVAXAXIC-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC2(CC2)C1)c1cccs1	695690937	QCGUHGUOPZKFFI-OLZOCXBDSA-N	249.423	4.512	0	10	BJAE	
CCCC[C@](CC)(CCC(C)(C)CC)C(=O)O	696805589	AIDOZZBRWUKRKN-OAHLLOKOSA-N	242.403	4.874	0	10	BJAE	
CCC(C)(CC)[C@H]1CCC[C@@H]1CNC(C)(C)C	701144272	HFXRMFZTOIFALS-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@]1(N)CC[C@@H]2CCC[C@@H]21)C1CCCCC1	707880670	POCPHOJRVFHZQE-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)[C@]23CCCC[C@@H]2C3)c1	709115096	RPQQIWDWCJGDJJ-BFYDXBDKSA-N	243.394	4.684	0	10	BJAE	
CC(C)C[C@H](C)C(=O)Cc1ccc(C(C)C)cc1	709238034	SQFJJGWZPVGGSQ-AWEZNQCLSA-N	246.394	4.604	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H](C)C(C)(C)CC	710025422	OUFAJBAOLVPJKD-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@]1(C[C@@H](C)C(C)(C)C)CCCCCN1	710765571	MLKYTMXJEMZZRE-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)C[C@H](C)C(C)(C)C)CC1	710769537	IGZNUOGMLPANLI-AJNGGQMLSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C[C@H](N)C1CCC(C)(C)CC1)C(C)(C)C	710779504	VVOHQOUSWSYEQZ-JSGCOSHPSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](C[C@@H](C)C(C)(C)C)C1	711229389	UDIHMAMYBHHGMZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CC[C@@H](O)c1cccc(C(C)(C)C)c1	713680083	CYFJBRBMZXRINN-FYCOFBDGSA-N	244.378	4.540	0	10	BJAE	
CCC1(C(=O)c2ccc(C3CC3)s2)CCCC1	716657585	KIKCGYZHTNZXBU-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)CC1=O)c1ccccc1	717439367	PGOGESRXPGIKLM-UKRRQHHQSA-N	244.378	4.576	0	10	BJAE	
CC(C)=C(C)CCOc1ccc(C(C)C)cc1	718592289	GOLKVKIEVXKKCV-UHFFFAOYSA-N	232.367	4.935	0	10	BJAE	
CC[C@H]1CC[C@](CCC(C)=C(C)C)(CNC)C1	718741533	ZJAGCZFCTNNYEL-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@]1(CNC(C)C)CCC=CCCC1	719080400	UUVRKRMQMGIKTQ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H]1CCNC12CCCCC2	721087033	LLWRHDTXGSVNKK-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](C)S[C@@H](C)c1cccc(F)c1	1643739026	BEFMCSYLFFGVGY-QWRGUYRKSA-N	226.360	4.664	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)CCC=C(C)C	1659254878	UVMIJRDZKOPRDN-GJZGRUSLSA-N	225.420	4.680	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CCCCC2)C1CCC1	1875413580	CBKIIZBPUWABRH-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC(=CCCNC(C)(C)C)C1CCC(C)CC1	1876996344	ACHWBGDOTYVBTG-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)c1ccc(F)c(C)c1Cl	1889470554	VBKYLDRSWGPUQI-UHFFFAOYSA-N	214.711	4.691	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CC[C@H](CC)C1	1900693097	KLQIAQRPSRTNCS-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCC(C)=CCNc1ccccc1C(C)C	1900823995	XZUVVSDFOADPBT-UHFFFAOYSA-N	217.356	4.578	0	10	BJAE	
C=CC=CCC[C@@H]1CCCCCCCC[C@@H]1O	1913391040	MVLYBEKBVPYULB-CVEARBPZSA-N	236.399	4.620	0	10	BJAE	
C[C@H](C[C@H]1C(=O)C[C@H]2CC[C@H]1C2)C1CCCCC1	1916094794	LTOZMBGFDQSBTF-BFJAYTPKSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@](C)(N)c1ccccc1CCC	1920205247	WDTWXWOTNHCLQT-KRWDZBQOSA-N	247.426	4.783	0	10	BJAE	
CCC1CC(CCC(C)(C)C)(CNC(C)C)C1	1921106678	FUVCUFKDNOPHSP-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC[C@@H]1CC1(C)C	1921417259	MWBWPOJQPYZYPR-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H](N)C1CCCCCCC1	1921540292	CWSSOUVCMKKSGV-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C[C@]1(CNC2CC2)CCCC12CCC2	1921614842	JBHRWGNAKYXZSX-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCCC1)CC1(C)CC1	1925921478	HOBUYFZFULITRM-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C(=O)C(C)(C)C(C)C)sc1Cl	1930197701	GAUJTFJMTJGEMW-UHFFFAOYSA-N	244.787	4.575	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2(C)CCCCC2)C1	1940406119	KMCHSPVTUOFYQT-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C[C@H](C)CCC	1940795142	FNGZGOHWRXVIKA-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C[C@@H](C)CC(C)(C)C)c1cccc(N)c1	1940978351	DTWLFIQBPNJMDO-OLZOCXBDSA-N	233.399	4.835	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CC(CC)CC)NCC	1941262540	GJLLVRWXYBWFAN-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@H](CC)C(C)C	1941271403	DGEJCBUINYZPHI-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1CCC=CCC1)NC	1941795982	VGAGDNZKEFFKCH-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](C)(F)c1ccc(N)cc1	1942657659	FSOAWPAJNDKMRD-IUODEOHRSA-N	237.362	4.526	0	10	BJAE	
CCCCCC[C@H](N)C12CCC(CC1)C2(C)C	1945634858	PGJSNSHHIWLVNX-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC1(N)CC(C2CCCCC2)C1	1945946557	BBBNWKNXQZCDKS-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCCCCCC1(F)F	1947267630	UHVKJGIZOHNWOO-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CCC[C@@H]1CCC	1947460645	HAHKBFIAFOBWEC-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C[C@@H]1CCC[C@H](C)C1	1948325333	GIPSYZYMXZLBHA-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CCC1(C)CC(CO)(C[C@H](C)CC(C)(C)C)C1	1948409016	KYWUFMNFMGSIOQ-IUDNXUCKSA-N	240.431	4.638	0	10	BJAE	
CC(C)CCC[C@@H](N)CC1CCC(C)(C)CC1	1948930044	PISKUDDOHYKCJT-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)C(=O)CC[C@@H]1CCC2(CCCC2)C1	1949506646	OOGIATKKWXRCCA-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC/C=C/CNC[C@@H]1CCCC(C)(C)CC1	1950917620	GRGADAWBIHFAFE-LQYUOIDQSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)C1(CC)CCC1	1951245978	WYMVYXBKGHYATR-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC=CC[C@H](CCC)c1ccccc1OC	1951308196	BHNSOBVUVUUYHM-AWEZNQCLSA-N	232.367	4.935	0	10	BJAE	
CC[C@H](C)[C@@H](CC1(C(C)=O)CC1)c1ccccc1	1951615108	QFPAXHFTICKSEF-XJKSGUPXSA-N	244.378	4.576	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNC1(C)CCCCCC1	1963072810	YZRIQAZVODBUCX-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)CN1CCCc2ccccc21	1968231607	CCQWJZQFOSQFDC-HNNXBMFYSA-N	245.410	4.656	0	10	BJAE	
CC(C)[C@H](C)N[C@H]1CCCC2(CCCCC2)C1	1968369565	WPFHVERQXUARSB-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCC1(CC)CC(Nc2ccc(SC)cc2)C1	1968456475	JVNHYHCCLKNTBY-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
C[C@@H](NCCC1CC2(CCC2)C1)C1CCCCC1	1973745033	SBANHLDJYRCERH-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](N)[C@H]1CCC[C@H](CC)CC1	1976343208	TVJRHBBJNAOITE-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCCC(=O)CCC1CC(C(C)(C)C)C1	1977055203	YHSCALCVSJRMAI-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC1([C@@H](O)c2ccsc2)CCCCCCC1	1981416665	RGQQKVCFGRNMQH-ZDUSSCGKSA-N	238.396	4.532	0	10	BJAE	
C/C=C/CCCNc1cc(C)c(Cl)cc1C	1984614027	GVQBCDSCPHALFI-SNAWJCMRSA-N	237.774	4.725	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1)[C@H]1CCC1(C)C	1987995687	OJUCAKMVQHOZRO-GXFFZTMASA-N	237.774	4.577	0	10	BJAE	
CCC[C@](N)(CC)CC1(C(C)(C)C)CCC1	1989464996	QCVHJKPEUQFFDJ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCCCCN[C@]1(C)CCCC(C)(C)C1	1989762147	UUNZVMQFPJEPFZ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1CCC1(C)C	1995215750	YNZKUWUUGXIPAU-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H]1CCCCC[C@H]1C	1995751476	JRYBMIUIQFEFFJ-HZPDHXFCSA-N	237.431	4.633	0	10	BJAE	
C[C@@H]1CC[C@@H](Cn2ccc3ccc(Cl)cc32)C1	1996230637	IMOTUCRZRLPLBC-VXGBXAGGSA-N	247.769	4.731	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)CCC2CCCCC2)C1	1996237472	LFILVAVETWIKNR-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](C)CN[C@H](C)C1CCC(C)(C)CC1	1996569451	YBERGINVSRMEOJ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@@H]1CC=CCC1	1997555079	XJKLCIYFJNXYMR-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCCC1CCC1)CCC1CCC1	1998035990	CANZHIMVCJKCRB-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1[C@H](C[C@H]2CCCCCCCCC2=O)[C@@H]1C	1998586155	GGKXTDHMVFSEOB-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC([C@](C)(N)CCCCCC2CC2)C1	1998648494	ISVPHTRTODEGAX-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@@H]1CCC[C@@H](C)C1	2000500905	ZVARUQYMQMYOCD-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CNCC)C[C@@H]1C=CCCCC1	2000517799	HKLRAMCUZSRNCO-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
N[C@H](C1CCCCCCCCCCC1)C1CC1	2001978378	UMWUTZBNCPLLKR-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2002753593	RXMKPVWDHDHVJP-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CNC[C@]1(CCC(C)(C)C)CCCC(C)(C)C1	2002992628	DGZJIRPUUZYOMY-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CN(C)C1CCCCCCCC1	2003171433	WWYFERLRHUCUQT-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H](CC)CC(C)C	2004228642	PWIDLEMDEOORMF-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCC1(CC)CCC(N(C)C2CCCC2)CC1	2004362819	JUZWEWTXQCEKMB-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@]1(CNCC)CCCCC12CCC2	2005567024	ZBNBVUZXGIAKDP-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@@H]1C[C@H](C(C)(CC)CC)CC[C@@H]1C	2006945126	JFNLVBBOHQNFPL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(C)([C@@H](N)CCC2CCCC2)CC1	2007691616	NFGPAZUPAKTYCN-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCC(C)(C)CC[C@@H]1O	2009420888	RPYNVGDGHVFIRV-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CC=CCCCN(C)[C@@H](C)C1(C)CCCCC1	2009579552	UPTHXIHGLQSMNJ-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CC1(CC[C@H]2C[C@H](C(C)(C)C)CCC2=O)CC1	2009605393	MVTQHVVWWFBJTR-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H](CC(C)(C)C1CC1)NCC	2009626727	FVOYATUEVCXHNQ-KEDPEKRHSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](CCC)CC[C@H]1NC	2009627132	HPQSOZGBDCGOTL-DEOFCCLISA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C1=CC[C@H](C)CC1	2010620264	BYNKLAJMIZHCQY-NUEKZKHPSA-N	238.415	4.556	0	10	BJAE	
Cc1ccc(F)cc1CC1CC(=C2CCC2)C1	2011086925	IVYCNDHBVBQYLT-UHFFFAOYSA-N	230.326	4.567	0	10	BJAE	
CCN[C@H](CCC[C@H]1C[C@@H]1C)C(C)(CC)CC	2011581144	OYDNSDVZAVSYJD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](C)(N)CC1C[C@H]2CCC[C@@H]2C1	2012009208	NTTGKXDDFUNPJW-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C[C@@H](C)C(C)C	2015275977	UUEYXXBPHQAVKF-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@@](C)(N)C[C@H](C)C(C)C)CC1	2015409813	AYZGOUKDRQPCQO-LBDPXKHJSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@](C)(N)CCC(C)(C)C)CCC1	2015645718	UXUWPRYYNUOXLZ-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCCC1(C[C@@H](NC)C2(CCC)CC2)CCC1	2015649403	ZCMKANDQFCMPPH-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CN[C@@H](C)C1CCCCCC1)C(C)C	2016106413	NAVIIYXBJNPHRF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C(C)(C)CCF	2016762241	NYONYGOLBHTCDL-ZDUSSCGKSA-N	245.426	4.567	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C1(C(C)(C)C)CCC1	2017138120	GLHQSSQWDWPUTJ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCC(C)=C(C)C)CC1	2017468951	OWCQCOCICFJIEF-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)[C@@](C)(O)C1CCC(C(C)C)CC1	2017480068	KJUWTPIQGKUJRX-UYSNPLJNSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](O)(CC)C(C)C)CC1	2017650778	LHPHOISXAFEVTM-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(C[C@H]2CCCC[C@@H](O)C2)CC1	2017714099	DKAWWOZUAMXGEU-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CCC[C@@H]2C)CC1	2017731733	VDUTZNBGDZAGGE-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCN[C@]1(C)CCC(C)(C)C1	2017905758	MSGRULOBUPMCBO-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)C1(C)CCCC1	2018136115	HPYOKUSIJOWLHB-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
C[C@H](c1ccccc1)N(C)[C@H](C)c1cccs1	2019114741	OHHTYTIHJUHLHQ-CHWSQXEVSA-N	245.391	4.502	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@@H]1CC[C@H](C)[C@H](C)C1	2019127112	RHBJFUZGWOYMHY-XUWVNRHRSA-N	239.447	4.712	0	10	BJAE	
CC[C@@](O)(CCC1=CCCCC1)CCC(C)C	2019767344	LHIQMXJHKBUYBC-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CCCCN(C[C@@H](C)CC)C1CCCCCC1	2020506708	VTMYLNNTHYKTHG-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
Clc1cccc(NC[C@H]2C[C@H]2C2CCCC2)c1	2022488693	DOPGFFPNEGGBHV-DOMZBBRYSA-N	249.785	4.578	0	10	BJAE	
CC(F)(F)CCCCC(=O)CC1CC(C)(C)C1	2023341551	FVMZBHPAHWMHLF-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
Cc1ccc(C)c(OCCCCC(C)(F)F)c1	2023346028	NCRQOYYTIBKRHW-UHFFFAOYSA-N	242.309	4.508	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@@H]1CCCC(C)(C)C	2023606053	FZXYJEMPTQGHDD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC1(CC)CCC1	2026166116	HLJRKGQMKUAINF-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
C/C=C/CCC[C@@H](CC[C@@H](C)CCCC)NC	2026170241	OFBSOLJMCXZPQJ-MCXNIAKKSA-N	239.447	4.927	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)CCC2(C)CC2)c1C	2027725738	KUJACGIDHWOECX-HNNXBMFYSA-N	246.394	4.534	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C(C)(C)C2CC2)c1C	2028109871	OYGPMVLFLZTIBG-UHFFFAOYSA-N	244.378	4.539	0	10	BJAE	
CC(=C1CCC(C(C)(C)C)CC1)[C@@H]1CCCCN1	2028115569	QPUFWLLVJHXWOS-LYKKTTPLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NC)c1ccccc1CC	2028251740	JACKFKMHJLSFCG-NVXWUHKLSA-N	247.426	4.582	0	10	BJAE	
C(CCN[C@H]1CCC12CCCCC2)CCC1CC1	2028629776	CMWOGXLKRPXURC-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@H]1C[C@@H]2CCCC[C@H]21	2028785516	DMIAANIPUAVIIK-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(CN)(CC2CCC=CCC2)CC1	2028874074	KZLYWQQDAQUCEL-UHFFFAOYSA-N	249.442	4.668	0	10	BJAE	
CC1(C)C[C@H](Nc2ccccc2F)CC2(CC2)C1	2030289401	YFTTWIHDMRVGKO-LBPRGKRZSA-N	247.357	4.597	0	10	BJAE	
CC(C)(C(=O)CC(C1CC1)C1CC1)C1CCCC1	2032293657	QEMXBXSHRFPHKP-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C1CC(C)(CC)C1	2036479202	YVLXMHWNFVEKTF-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1[C@H](N)C1(CCC)CCC1	2037115497	NOEFCRSONHNUIM-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CC1(NC[C@H]2CC23CCCCC3)CCCCCC1	2039080712	DASPMSHNBSIKJR-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCC[C@@H]1CC1(C)C	2039433347	BGJQXRNTLNPQND-ZJIFWQFVSA-N	249.442	4.523	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CC1(C)CCCCC1	2039443333	ZKWKWKFKNGRXTF-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1ccc2ccccc2c1	2040723190	GYGGEKLZFMIMRY-MRXNPFEDSA-N	242.362	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C[C@@H]2C=CCCC2)CC1	2041524965	NELOUFUUMYPXAQ-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@]1(C)CC=CCC1	2042020152	VAZCVEOFXFKKPQ-DLBZAZTESA-N	247.426	4.623	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@]1(C)CC=CCC1	2042022036	NOEOJXCVZOFJED-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC1(CCCC(=O)c2ccccc2C2CC2)CC1	2042274569	BTFXCCJQDPKWHN-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@@H]1CC(C)=C[C@@H](C)C1	2045780065	ROCQZQPAGZUZCP-XOKHGSTOSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)C[C@@H]1CC12CCCCC2	2047058345	IHNNLSXEWJUBIF-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C2=CCCCCCC2)C1	2049496505	UXESXFOFGFBKLQ-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
C1=CC[C@H](CCNC2CCCCCCCC2)CC1	2049677310	BEFLGHCEPCFKPF-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1(CCNC[C@@H]2CCCC3(CC3)C2)CCCC1	2049844438	ASWHIUXHPUEWRI-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC1(C)C)[C@]1(C)C=CCC1	2050007463	PZFLNQBKUVKLCQ-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
C[C@]1([C@@H](N)C[C@H]2CCC=CCCC2)C=CCCC1	2050009128	LIAXNDYGCDGKHT-ULQDDVLXSA-N	247.426	4.587	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H](O)c2cccc(C)c2)C1	2050426052	MIZGQTSICYLVAB-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@H]3CC[C@H]32)cc1C	2052287393	YMKSEHZARZCYMX-USXIJHARSA-N	243.394	4.548	0	10	BJAE	
CC1([C@H](N)CC2[C@H]3CCC[C@H]23)CCCCCCC1	2052479953	QHMYYTKILDNGMC-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)C[C@@H]2[C@H]3CCC[C@H]32)CCCCCCC1	2052505265	OXGIGAJKVYWLTQ-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H]1CCCCC12CCC2	2053410685	GGEBFZHUTYKIHI-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1CCCC[C@@H]1F	2055157545	AGLGTGBHVNQBMH-ZFWWWQNUSA-N	249.373	4.677	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1CC(C2CCC2)C1	2056688444	AOLNEIGARYANFM-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(C[C@@]2(N)C[C@H](C)CCC2=C(C)C)C1	2056711824	CCVOUBVWYFYVAF-VXTDNTOSSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C=C1CCCC1)C1(C)CCCCCC1	2056874014	SNYZNDWAFJXFPV-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)c1cccc(C)c1	2056874576	YMAJAJPEMVHWMF-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1c(C)cccc1C	2059224545	BWAWEIYHAVRVIJ-MRXNPFEDSA-N	245.410	4.700	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)[C@H]1CC[C@@H](C)C1	2061098419	JBKWVZCIWKDZDQ-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C[C@@]12CCC[C@H]1C2	2061618749	WNFAAZKEKRPQJP-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CC(=C3CCC3)C2)C1	2061731515	UNPJWTNBYYONPN-OCCSQVGLSA-N	246.394	4.662	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CCC[C@H]1C[C@H]1C	2062600296	YTYPIXOKFLUXGN-JKIFEVAISA-N	246.394	4.670	0	10	BJAE	
CCCCCC1(CNCCC)CC2(C1)CC21CC1	2064006173	ZYTABGNEYZXHKI-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1CCC[C@H]1NCCC12CCC(CC1)CC2	2065259076	LBJXSFLEVONIEN-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)[C@@H]1CCC1(C)C	2068240613	WVXUOBBSANJWBF-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@H](N)C2C[C@H]3CCC[C@@H]3C2)CCC1	2069343132	WLIWKBSEUHPCSG-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
C[C@H](CNC1(CC2CC2)CCC1)C1CCCCC1	2069493035	UAWINIRVYOGVRL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CCN1CCC12CCCCCC2)C1CC1	2070391817	BKFFMTCPWLZPEV-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C[C@H](C)c1ccccc1	2070395817	TUQOBIKWUZLCFH-DOTOQJQBSA-N	246.394	4.678	0	10	BJAE	
CC1([C@H](N)C[C@]23CCC[C@H]2C3)CCCCCCC1	2070964224	UKHWJKHFPAMVCH-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1C)CC1CCC=CCC1	2072072385	KQKBLMKSEBGQNX-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(CC2=C[C@@H](N)C[C@H](C)C2)CC1	2072813672	VSTYBQDAJXSUQU-VXTDNTOSSA-N	249.442	4.667	0	10	BJAE	
CCCC1(C[C@H](C[C@]23CCC[C@@H]2C3)NCC)CC1	2074647825	BVDLEDSHMKIZHL-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCCCCN(C)Cc1ccccc1C(C)C	2075945738	MQBVPADKZCOMSR-UHFFFAOYSA-N	247.426	4.822	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCCNC23CCC3)CC1	2076644816	NKDMWTXGTFMWNK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(OC[C@H]2C[C@H]2C2CCCC2)c1C	2079804234	PEKOYHZWRGYNRW-CVEARBPZSA-N	244.378	4.509	0	10	BJAE	
CC(C)NC[C@]1([C@H]2C=CCC2)CCCCC1(C)C	2081681847	HPWHJUAXPNUFRN-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC2(C)CC(C)(C)C2)C(=O)C1	2215433530	PHGAPOCLPMMGIQ-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC(C)(C)C(C)C)CC1	2215820096	ARCRXASGGSGETE-INIZCTEOSA-N	236.399	4.764	0	10	BJAE	
CC(C)(C)C[C@H](N)CCCCCCCC1CC1	2216879158	HNKWKUKEJZHYHQ-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218333472	PERYHTYDYOBHLN-UGQVUOCMSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)C1=O	2218335301	UZWZLMLKNWSPMN-YXWQFLTLSA-N	248.410	4.598	0	10	BJAE	
Cc1c(F)cccc1NC1CCC(C2CC2)CC1	2218895613	XLDUTTXQGNFTTH-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCCCCC[C@@H](C/C=C/c1ccccc1)NC	2219087109	HVRPABLUVAXBRS-RTGRKSDTSA-N	245.410	4.648	0	10	BJAE	
CCCCCc1ccc(NC[C@H]2CC[C@@H]2C)cc1	2220549167	IDLACUQLNFDIBF-GOEBONIOSA-N	245.410	4.877	0	10	BJAE	
C[C@H]1CC(C(=O)C2(C)CC3(CCC3)C2)C[C@H](C)C1	2221000476	DTLJRGIIDNZDTM-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)CCCCCC2CC2)CC2(CCC2)C1	2221007403	QSMPINJGBIKJMZ-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCC1([C@@H](CC2(C)CC3(CCC3)C2)NC)CCC1	2221024187	ZBYOCPVZRLUADQ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1([C@@H]2CCCC[C@@H]2C)CC=C(C)CC1	2221654479	OSKVMARAIIKCON-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1ccc2occc2c1	2224198633	SZEWPOKOVPKKGU-SWLSCSKDSA-N	246.350	4.539	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@H](C)CC(C)(C)C	2244778707	BLHHGBJCRBJUPE-MELADBBJSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC2(C)CC(C)C2)C1	2246524051	KOMISYWSVBPOSM-WJEHIRDRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)NCC[C@@H]1CCCCC12CC2	2246645409	XFLAFPLGJCUIQQ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(N)(CC[C@H]2CCC[C@@H](C)C2)CC1	2246727612	NQAGBYYJJNEHDT-LVDPKSTMSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)CC1=CCCCC1	2247159369	MVNVJHLFHPIMIG-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CC1=CCCCC1	2247518062	MBRBSARREVCZER-INIZCTEOSA-N	237.431	4.633	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1CCCCC1)NCC	2250358275	LJUWJVJDLWWSMP-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H]1CCCC2(CCC2)C1	2250385428	QQZGLMFQHKULQT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CC[C@@H](C)CCCC(C)C)C(C)(C)C	2250469126	LGYDCRYFUCSPFI-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC1CC(C)(C[C@@]2(N)CC(C)(C)CC3(CC3)C2)C1	2253658340	OAIBNKCBBNDJJM-PGEKIEPBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)C1	2253924101	RJBHORXXFKEBTQ-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2CC3(CCCC3)C2)CC1	2254121477	CPZABNPCEKNAOF-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C12CCCC1CCC2	2254569871	SZKQMXUIHSRIMZ-FSOQPWQOSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C[C@H]2CCC23CCC3)C1	2255018240	ZDQVFKACYRQQTH-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]1CC(C)(C)CC[C@@H]1CC1=CCCCC1	2255092482	UQZPLKSFBNJPJI-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C[C@@H]2CCCC23CC3)CC1	2255324847	BBRUNSCAKRJILG-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc([C@H](NC)[C@H](C)[C@H](C)CC)cc1	2256300434	GRXMMNYMILAOLN-CKEIUWERSA-N	247.426	4.582	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@@H]1CCC12CCC2	2257254145	FPHOOLCAFFNAKB-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@]23CCCC[C@H]2CC3)C1	2260499955	HPFLYQRVCZIVLF-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@]23CCCC[C@@H]2CC3)C1	2260577712	HHMYONVRBMZRSN-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CN[C@]12CCCC[C@H]1CC2)C1CCCCC1	2260639104	REWVEAMHBYHJIL-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)C[C@]23CCCC[C@@H]2CC3)CCCC1	2260672186	OFDDMEBDWKQCNR-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1[C@H](CC2=CCCCC2)CCC1(C)C	2261423464	BOSLEQBFELQMBK-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@H]1CCCC(C)(C)C1	2300675552	GIJVVQRLISNTNM-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1(C)CCCCCC1	2300677689	CDWRZIOEDRVGQB-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCCNCCCCC=C(C)CCCC(C)C	2300888596	PBTGEUOADXAQGD-UHFFFAOYSA-N	239.447	4.929	0	10	BJAE	
CC=CC[C@H](CC1CCCCCC1)NCCC	2300895948	CMPAIZCOJDDQOE-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@H](C)CC(C)(C)C	2300904300	NJTZQKOVRZKHRP-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CC=CC[C@@H]1CCCCC[C@H]1CNC(C)(C)C	2300926844	PJLQIWJTCCHCKS-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC2CCCCCC2)C1	2301239736	SGTYICSGOGZJMW-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CCC1CCCCCC1)NCC	2301245131	SSUGOVAISYEMTD-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCC1(CC)CCN1CCCC1=CCCCC1	2302362514	ZTQIZSISWOGHJE-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CC(C)(CCC(=O)CCCCC1CC1)C1CC1	2302572849	YSNMHQCPEPDVGK-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCc1cscc1NCC12CCC(CC1)CC2	2302892302	KIOGOAACPRNWJJ-UHFFFAOYSA-N	249.423	4.693	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)(C)C1)C(CC)CC	2302903337	YTAXDEGZUDFTBG-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC[C@@H]2C[C@H]2CC)CC1	2303566271	KCMXLZRHPUBZLM-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)CC(C)(C)C	2303594007	BIJIXVYOHUNHAR-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)C[C@@H]1CCC(C)=C(C)C1	2303602471	VYTZZUAGXNAMSM-BZUAXINKSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H](CC)CC1(O)CC2(CCCCC2)C1	2307844190	QNWSCQORIGWTCY-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](CC)c1cccc([C@@H]2C[C@H]2C(C)C)c1	2311852885	GWQCJUPQGMSPNG-ULQDDVLXSA-N	245.410	4.507	0	10	BJAE	
C[C@H](CC1CCC1)N(C)[C@H]1CCCCC12CCC2	2313598587	GUQPWRDGVZQBLW-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1[C@H](C)CC1CCC1	2313622240	JODKRGRNGMXLDP-PBFPGSCMSA-N	243.394	4.658	0	10	BJAE	
CCN[C@H](CC=C(C)C)c1ccc(C)c(CC)c1	2314700368	SIWZNDZWEMVTTO-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2316539034	ZQCOJYSBXWJQLL-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1C[C@@H]2CCC[C@H]2C1	2316539830	OHDVEQUJLVSLKV-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C1(CC2CC2)CC1	2316869065	DLKRULGBELEHTQ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2317023661	ZZSZKKRIDYRPEW-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](c1ccccc1C)[C@H](C)[C@H](C)C(C)C	2317827890	OKHQOPLVINZCJV-INMHGKMJSA-N	247.426	4.574	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@H]1CCC2(CCCC2)C1	2318877409	LWFWFIDGUVAFJD-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC[C@H]2C(C)(C)C)c(C)c1	2320240081	JSENPXMUHTVOEE-LSDHHAIUSA-N	245.410	4.788	0	10	BJAE	
CCCNC[C@]1(C2CC(C)C2)CCC(C)=C(C)C1	2320262138	YCIAQDHOWPNWPR-IMRCBTMISA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(N(C)C[C@@H]2CC[C@@H]2C(C)(C)C)c1	2320310537	IWWBYPRGXOQTCA-HOCLYGCPSA-N	245.410	4.504	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC(=O)[C@@]12CCC[C@@H]1CC2	2320314342	KBYQPPHSNBVEJY-VWPFQQQWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCCCN1C[C@@H]1CCC(C)=C(C)C1	2320346291	DRPNOAKOXHPNCI-IAGOWNOFSA-N	249.442	4.778	0	10	BJAE	
CCc1occc1C(=O)C[C@@H]1CCC(C)=C(C)C1	2320422030	FGAQFPZCCLTUMQ-CYBMUJFWSA-N	246.350	4.551	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@@]23CCC[C@@H]2C3)C1	2321628338	QTEUBTNGAWYBLC-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c(OCC[C@@H]2CCC(C)(C)C2)c1	2321634567	SVGCKBZNVHWQDJ-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
Cc1ccc(C(C)C)c(CCC(=O)C(C)(C)C)c1	2327784250	MPLIERPYADRTFZ-UHFFFAOYSA-N	246.394	4.666	0	10	BJAE	
CCC[C@H](CC)CN1[C@H]2CC[C@H]1c1ccccc12	2328274624	GCNXJBOERHWTIB-JQFCIGGWSA-N	243.394	4.705	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cc2ccccc2o1	2328282359	OMZVSVVZBPZKLS-GXTWGEPZSA-N	245.366	4.649	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1C[C@@H](C)CC(C)(C)C1	19230560	JGPJPGITHDMVJO-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCCc2occc21	20520403	KSDLZJXCQUFECI-UKRRQHHQSA-N	249.398	4.606	0	10	BJAE	
CCc1ccc([C@@H](C)Nc2ccc(F)cc2)cc1	20551867	FNSHDCAZLXMBIC-GFCCVEGCSA-N	243.325	4.561	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@@H]1C)c1ccc(C)cc1	20561796	CUWOMBAHGBXTBK-BHYGNILZSA-N	245.410	4.614	0	10	BJAE	
CCc1ccc([C@H](N)CCC2CCCCC2)cc1	21060032	STXXQFSYRCSOJB-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCCCC[C@H](C)Nc1cc(Cl)ccc1F	35284008	KVOAQNHZSQRTDT-JTQLQIEISA-N	243.753	4.860	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)C(C)(C)C	37506486	ZSSJZSFXQQRQPD-OAHLLOKOSA-N	233.399	4.507	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)c1ccccc1C	69370916	UOZXQTQJVMTQNX-GJZGRUSLSA-N	233.399	4.614	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2c(C)cc(C)cc2C)C1	71117971	SVIVFENUKAXMOK-HOTGVXAUSA-N	245.410	4.993	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CCC(C)(C)CC1	79657753	GCBJOQRGGZJZKY-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC[C@H](NC)C(C)(C)C)C1	80421278	UYFAZYQHUHMVKO-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@]1(N)CCC[C@H](C(C)(C)C)CC1	86955940	DJGHGJOZOQYSMD-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)CC1(O)CCC(C(C)(C)CC)CC1	87163942	QZAUYHVOXHZETA-HLIUYOAVSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](c1ccccc1)C1(CC)CCCC1	94900545	KQJSABQIEUDYTD-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCC1CCC(N)(c2ccc(C(C)C)cc2)CC1	109702618	FNQOWESWPFXLJW-UHFFFAOYSA-N	245.410	4.564	0	10	BJAE	
CCC[C@H](C)Cn1ccc2ccc(Cl)cc21	128867616	DFXURQJSGNYKQA-NSHDSACASA-N	235.758	4.731	0	10	BJAE	
CC1CCC([C@@H](N)C2CCCCCCC2)CC1	159016897	FSVHJYAOZMXQSU-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@@H]2C(C)C)cc1	214427057	KVHMMFDUHYDNRS-CVEARBPZSA-N	231.383	4.622	0	10	BJAE	
CSc1ccc(N[C@H]2CC[C@H](C)C[C@@H]2C)cc1	221618631	CEVCLCOFCBNBCA-HUBLWGQQSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)c1ccsc1	225988080	UZAFTGWHODYPHT-TZMCWYRMSA-N	239.428	4.758	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1cc(C)cc(C)c1	229474271	NLOGPWXDFZDANP-GOEBONIOSA-N	233.399	4.520	0	10	BJAE	
CCC1([C@H](NC)c2cc(C)cc(C)c2)CCCC1	229489002	BXHASWGCHOGQSX-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
C[C@H](CC1CCC1)Nc1ccc2sccc2c1	229678598	KHRGLXZNBHSHJI-LLVKDONJSA-N	245.391	4.892	0	10	BJAE	
CC[C@@H](c1c[nH]c2c(C)cccc12)C(C)C	233992678	VZHNHAGRPBFWHI-GFCCVEGCSA-N	215.340	4.626	0	10	BJAE	
CCC(CC)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1N	250371733	AEAPIQJCYJFODZ-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H](C)CCC)NCC	300920904	LEUBQPNLZZMPKX-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCc1cc(N[C@H]2CCC[C@@H](C)C2)ccc1C	302245765	ABGIIWFMTLLARZ-DOMZBBRYSA-N	231.383	4.548	0	10	BJAE	
CCCC1CCC(N[C@@H]2/C=C/CCCCC2)CC1	305956061	ICIKLMZXCXQDRC-KQLWBFKDSA-N	249.442	4.824	0	10	BJAE	
Cc1c(Cl)ccc2c(Cl)csc12	307163468	IOPPULKJGZBPGP-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
Cc1c(Cl)c(C(F)F)cc2sccc12	307189010	SNGSSGKPQUCLTN-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CN[C@H]1CCCC[C@H](CCC2CCCCC2)C1	310060101	CKOMYFHGAVXALA-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@@H](N)C[C@@H](C)CC(C)(C)C)CCC1	310168397	SSCSWJMYMDELLD-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC1(C[C@H](O)CCC2CCCCC2)CCCC1	310452680	YJGOVNPQPBECPZ-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC1CCC(C)(C)CC1	310473459	BFEDUNPALJWBOR-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](NCCCC(C)(C)C)c1ccsc1	313291478	HAQOFRFHDHMILF-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCCNC[C@]1(CCC(C)C)CCC[C@H](C)C1	317174039	LWLHVYUCXMFUJJ-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@@](CNC2CC2)(C2CCCCC2)C1	317609394	OWXJQIRGRSHOBA-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC[C@@H]1CC)C1CCC1	322483999	VAAYHAWQWIKTPV-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C(C)(C)C1CCC1	322766569	HXVTYXLECWJWOL-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CCCC[C@H](C[C@@H](C)c1ccccc1)NC(C)C	384682317	ARARTLICBWWZKY-NVXWUHKLSA-N	247.426	4.737	0	10	BJAE	
CCCN[C@@H](C)c1cccc(C2=CCCCC2)c1	385037211	IZPJUASHFAGUJH-AWEZNQCLSA-N	243.394	4.705	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)CC1=CCCCC1	385131805	HDENJOOXHGQEDI-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
CCC(CC)[C@H](NC)c1ccc2sccc2c1	386298800	JUJNCDNMDOZJOO-HNNXBMFYSA-N	247.407	4.598	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NCCCCCC(C)C	394765551	PRSLNOWYIHLXLB-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C1(C)CCCCC1	394864358	OCLLUTMLOGLUGR-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(F)c(C)c1	395135858	VFSARQSPTMDDHQ-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](C)C(C)(C)C)cc1	399144374	DAHCOCMZWAAGSM-LBPRGKRZSA-N	232.367	4.504	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1CC=CCC1	402153208	OSINUHLNSISDOR-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C[C@H]1CC=CCC1	402377016	VXHYRSSJTRUHFB-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCCC1CC1)c1ccc(C)cc1	405837523	HPUQRZNAIDVEJE-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCC(CC)[C@H](C)Nc1nsc2ccccc12	686912487	AATABEXOPDPUTI-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CCCC2(C)C)c1	688900598	QEFNZSHPNNJOBK-OAHLLOKOSA-N	244.378	4.819	0	10	BJAE	
C1CCCC(CCNC[C@]23CCCC[C@@H]2C3)CC1	693552808	ZZTBXZYMQYOQHG-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CC(C)C)[C@@H](CC)c1cccc(C)c1	695078720	OUJPQFFZFRBCFI-DLBZAZTESA-N	247.426	4.513	0	10	BJAE	
CCC[C@@H](N[C@H](C)C(C)(C)CC)C1CCCC1	695144929	FEMYTBFLWMLHBB-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCCC[C@@H]1C1CC1	696104305	LFYYDJLAFGVXFG-CABCVRRESA-N	247.357	4.515	0	10	BJAE	
C[C@H](NC1C(C)(C)CCC1(C)C)c1ccccc1	699610895	WAXOPOJPCBINJA-ZDUSSCGKSA-N	245.410	4.552	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C(C)(C)CC)CC1	700914872	SRAYEGUTWHWIRV-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
O=C1[C@H]2CCCCCCCCCC[C@@H]2C12CCC2	700930425	XHHRZTGZPQQPRX-GJZGRUSLSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H]1CCCC[C@H]1C	704825112	SRPUVQBSYBHVTQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)c1coc(C)c1	706316422	XAAYMVHTWBYZAQ-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(O)CC(C)(C)C	709125467	NORKXSTXVVVIFY-DOMZBBRYSA-N	228.420	4.636	0	10	BJAE	
CC(C)CCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714425897	UNWBDSWHEAQQIK-RRFJBIMHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCC(C)(C)CC1=O	717529423	AAJZYCDGGOOQRI-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCC[C@](C)(CCCC(C)(F)F)CNC(C)C	718687708	SCWXLXDGCOJLTG-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CC[C@H]2CCCC[C@H]2C1	723639081	IISXCMWRRCXBNI-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(CC2CCCCC2)c1Cl	725422517	WKRQHRUKOYGCTF-UHFFFAOYSA-N	222.759	4.771	0	10	BJAE	
C=C/C=C\CCN(CCCC)[C@@H]1CCC[C@H](C)C1	1460178906	SMAXWUBWSJMJDB-YSNMCSLZSA-N	249.442	4.800	0	10	BJAE	
C[C@@H]1c2ccccc2CN1CC1CCCCCC1	1460508166	JCVBGHUXTYDBJH-CQSZACIVSA-N	243.394	4.534	0	10	BJAE	
CC(C)(C)CCNCC1(C)CCC(C)(C)CC1	1462349018	KGTUHGIZBMZXTD-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(S[C@@H]2CCCC[C@@H]2C)s1	1559426147	GEQFLCIJNJDPJM-GXSJLCMTSA-N	226.410	4.727	0	10	BJAE	
CC(C)C[C@H](C)CSc1ccc(Cl)cn1	1651759617	GENHOIKOJMQSLS-JTQLQIEISA-N	243.803	4.509	0	10	BJAE	
CCCC1CCC(CN[C@@H]2CCC3(CC3)C2)CC1	1876380897	UYOVALMXGHZLBY-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCCCCCc1ccc(Cl)cc1F	1889470081	JGEQENIZQBJIML-UHFFFAOYSA-N	214.711	4.602	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)CCC1=CCCCC1	1901688862	LXLFTYIDGSYFGC-CHWSQXEVSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@H]1CCC(C)=C(C)C1	1902847142	FCUZEJVURDGJAT-RISCZKNCSA-N	222.372	4.518	0	10	BJAE	
CC=CCNC(CCCCC)CCCCC	1911699120	YYGLBHFZVCINRV-UHFFFAOYSA-N	225.420	4.681	0	10	BJAE	
CNCC(=C[C@@H]1CCCC[C@H]1C)C1CCCCC1	1911987436	JSTCBDATMGWGSX-ZBFHGGJFSA-N	249.442	4.539	0	10	BJAE	
CC=CC[C@H](CC)c1ccc(C)cc1F	1912055757	GNSFFKCQCPHJEP-LBPRGKRZSA-N	206.304	4.594	0	10	BJAE	
C[C@H](CCN[C@H]1CCC2(CCCCC2)C1)C1CC1	1915882017	HASXVTOJHDDVPK-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@]1(CCC2CCCCC2)C=CCC1	1916336897	HRXORLZUEHZHJG-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](N[C@H]1CCC2(CCCC2)C1)[C@@H]1CC1(C)C	1916492521	JJHIXYYPYJTYCG-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC1CCC=CCC1	1919972447	CSOWCNDWSRUBNT-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(CN)CCCC12CCC2	1921632555	ICWCJHPHOBZXNX-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CCCC1CCC(NC[C@@H]2C=CCCCC2)CC1	1925941822	BBGAWUGFNULOSL-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC(=C2CCC(C)(C)C[C@@H]2CN)C[C@H]1C	1927148292	XKQXKFLATYOYKQ-UMVBOHGHSA-N	249.442	4.524	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cc(Cl)sc1C	1933586838	LLBWNTPRRAATJC-NSHDSACASA-N	245.819	4.536	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC1(C)CCCCC1	1935625087	KAHIWRJVJOASNV-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2(C)CCCCC2)C1	1940378133	IZKXJNJEOSZSRI-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CC2(C)CCCCC2)CC1	1940406507	GRYWODHEMQXNRE-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)CC1CCCCC1	1940883328	USTRTUNARSAZEX-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1CCCCCC1CC1	1941688495	WNZQTXUEHASNKN-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCC1([C@@H](NC)[C@H](C)CCC(C)C)CCCC1	1942653251	OPZUQPJHKQYJHN-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)(C)C)C(C)(C)C(C)C	1944673923	RIVQDBHZQUYQHP-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H]1CCC(C)(C)C1	1945581639	HELJQKLIOOOBOW-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1CCC(C)(C)C1	1945583099	PEOSCBXNNLKSFO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CCC[C@H]2CC2(C)C)C1	1945587554	ZETZJHSCGQXFNY-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
Clc1cccc(NC2C[C@@H]3CCCC[C@H]3C2)c1	1946282441	FSCUZXMTAUQQFK-RYUDHWBXSA-N	249.785	4.721	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC1CCCCCC1	1947453460	PKMTXQHLFUVQCE-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@@H]1CCC	1947514535	GDQXKAMCQQEODK-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1C=CCCC1)CC(C)(C)C	1947550973	BCKJCIFIKUPGAQ-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
CCCNC[C@@](C)(CCC)CCC(F)(F)CC	1947888826	ONHKAYNHTIPNGW-ZDUSSCGKSA-N	249.389	4.618	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1CCC12CCC2	1949323955	HQWIZGHPALNABE-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)c1nc2c([nH]1)[C@@H](C)CC[C@H]2C	1949762060	KXHZHNFXEXXWMI-TUAOUCFPSA-N	234.387	4.704	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@H]2CCCC[C@H]2C)CC1	1950923821	IRIVXJDBNXIZHJ-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1cc(Cl)cs1	1958188664	GQTQHLNJISCLFU-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CC(C)=C(C)CCC(=O)CCCC(C)C	1959880276	VLLZLDXIJIJYAH-UHFFFAOYSA-N	210.361	4.518	0	10	BJAE	
CCCC[C@@H](C)N(C)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1964202130	GNMFNBBIKOEAKY-QXSJWSMHSA-N	239.447	4.569	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1968312650	OASWKRGXLAQOAX-AGGWBTHJSA-N	247.357	4.515	0	10	BJAE	
CCC[C@H](C)CN(Cc1ccccc1)CC(C)C	1968815978	RBGAMUIPMFDBNH-INIZCTEOSA-N	247.426	4.581	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1N[C@@H]1CCCC2(CCC2)C1	1969582791	OEVWJQSHSFZLNO-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(Nc2ccc(CCF)cc2)C1	1970103112	WRAQJGNIZCDHEU-UHFFFAOYSA-N	249.373	4.579	0	10	BJAE	
CCCC(C)(C)C(=O)C1CCC(CC)CC1	1976008336	LLGQHEUIQICQEL-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CSC(C)(C)CC(=O)C[C@H](C)CC(C)(C)C	1978455859	OYPJFNRIWDUZAK-NSHDSACASA-N	244.444	4.550	0	10	BJAE	
CCCCCC[C@@H]1CCCCCC[C@@H]1NC	1980340474	XIAMHUGKRISKPC-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H](CC)CCCC	1983428892	MSIDBARAZVPZJS-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCCCCc1c(F)cccc1F	1984605334	ADWVQDJIQFOLPU-NSCUHMNNSA-N	224.294	4.644	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@@H]1C=CCCCC1	1990987570	NUIYRZKLXFMGKU-CYBMUJFWSA-N	236.742	4.526	0	10	BJAE	
CCCCCc1ccc([C@@H](N)C(C)(C)C)s1	1991772005	NLERFFJWWQGYMV-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
C/C=C/CCC[C@H](N)CC[C@H](C)CCCC	1995264677	WHNOBQFBDVVHIC-WBNAFJIESA-N	225.420	4.667	0	10	BJAE	
CCC[C@H](C)[C@@](N)(CC)C1CCC(C)(C)CC1	1996592958	DXTWUVCHHAFSKA-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CC(C)(C)CC)CC1	1997117646	SFZCENZFVSHAIN-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)CNC[C@]1(C)CC=CCC1	1997584369	SQYHPEYGSYINRX-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@@H]1C=CCCC1	1998376442	CRPTVSBBZHLFNL-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@@H]1CC(C)C	1998749836	UAHMACDKADHWDS-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C(C)(C)C2CCC2)C1	2000103922	BBSCUADHCBBZBD-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CCC1CCC1)CNC(C)(C)C	2000500544	VTISLZPHJCZXFJ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNCC)CC(C)(C)C(C)C	2000513027	SXCCEUUONBVAPV-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CN[C@H](CC(C)(C)C)C1(C)CCCCCCC1	2004920796	NTPQHGFWYOWQIO-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CCC(C)=C(C)C)[C@H]1C	2006980266	OHPCXUIECMCLEZ-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C(=O)CC1CC(C(C)C)C1)C(C)C	2007764979	BSGMOFYMUKTJJL-YMAMQOFZSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCCC1(O)CCC(CC)(CC)CC1	2009588554	LHOLVDWFNOERQD-QPJJXVBHSA-N	238.415	4.844	0	10	BJAE	
CC1(CCC(=O)c2cc3ccccc3s2)CC1	2009605592	XTKZIULDAIBHDA-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CN	2009610337	GBVQXVXSKNKLEN-AJKRFXKHSA-N	237.431	4.524	0	10	BJAE	
CC=CCCC[C@@H]1CCCCCCC[C@@H]1NC	2009628339	NEYBFZYLHMNLBV-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC1=CC[C@H](C(C)C)CC1)NC	2010761916	GWQWDICJBLZJMT-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)Nc1ccc(C(C)(F)F)cc1	2012750969	YFIWHALGKKHZMA-NSHDSACASA-N	241.325	4.645	0	10	BJAE	
CCNC[C@@H](C)[C@@H](C)CCC(C(C)C)C(C)C	2015342905	AGLXIDMPYPIGCM-LSDHHAIUSA-N	241.463	4.577	0	10	BJAE	
CC(C)C(CC[C@@H]1CCCC[C@H](O)C1)C(C)C	2015361159	QBQGFTNGZJNGGS-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CCCC1(COc2ccc(C)c(C)c2)CCC1	2015593654	DYPYIMAYOHLAFU-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CCCC1(COc2ccc(C)cc2C)CCC1	2015595226	LKYJSEKXPCCZBE-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H](C)C2CCCC2)CCC1	2015635222	NVJNTFSZBUJDGI-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C[C@@H](O)C[C@H](C)C(C)(C)C)CCC1	2017121572	QFKCWYMYGKZMOM-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C1(C(C)(C)C)CCC1	2017135661	YKLNEDHTEGVRAU-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)C1(C(C)(C)C)CCC1	2017136245	GOYAESBRUWQZJU-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNCC(C)=C(C)C)CC1	2017469652	UGOXHTLQUIWXKQ-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)[C@H](O)C1CCC(C(C)(C)C)CC1	2017485192	QVGSIAYMLJKRDA-NRXISQOPSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C(C)(C)C(C)(C)C	2017487647	SJEDXTCOPQTYSH-CQSZACIVSA-N	239.447	4.783	0	10	BJAE	
CC(C)=C(C)[C@@]1(N)CCCCC12CCCCC2	2017488088	UVKMCANHGLYIOO-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC[C@](O)(C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017650415	GWCRKYAFUKVMCC-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)CCC(C)(C)C)CC1	2017729197	UFZKVKDKLZKNFL-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC[C@](C)(NCC2(C)CCCCCC2)C1	2017869569	VBWKHRAQPJCGAO-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@](N)(CC)[C@@H]1[C@H]2CCCCC[C@H]21	2018130450	OKOQWZYMNFEOCX-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC(C)(C)C(F)F	2018185758	SIYHHBYRTQYXOF-GFCCVEGCSA-N	249.389	4.568	0	10	BJAE	
CCC(C)(CC)CN(C)C[C@H]1CCC[C@@H](C)C1	2019163800	LMGATLWBJKDONM-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CC(C)CCCCCN(C)CCC[C@H]1C[C@@H]1C	2019342242	KEHGUUYFQGYUQS-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCCCCN(C)CC1(C)CCCC1	2019343418	ZPTIPLUGPHAGAU-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCCCCC(C)(F)F	2023361940	FGWGBUGCJSAZOG-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCc1ccc(-c2cc(=S)c(C)c[nH]2)cc1	2023460284	KYLZTEPXZDSIPI-UHFFFAOYSA-N	243.375	4.672	0	10	BJAE	
CC=CCCC[C@@H]1CC(C)(C)C[C@@H]1NCCC	2023607654	BDWZWYBJXHDAKC-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C[C@H]2C[C@H](C)CC2=O)CC1	2023634520	YPGOFALSHWUQPP-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(C)c2[nH]c(C3CC(C)(C)C3)cc12	2024289131	HFHDSVZQFFHYFH-UHFFFAOYSA-N	227.351	4.688	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NCC)C1CC(C)C1	2026164372	SECRKYIQLHVWRM-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)C=C1CCCCC1	2026166085	HELHVVFYMCMNRB-GDBMZVCRSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC[C@H](C)C(F)F	2026170511	QEPOPXYEQKTREK-AVGNSLFASA-N	249.389	4.602	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1C)[C@@H](CC)C(C)C	2028253605	YIUPOXQXYYQZDI-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CN[C@@H](c1ccc(C2CC2)cc1)[C@H](C)CC(C)C	2028596240	DJPWVWBEFISXDW-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC2(C3CCCCC3)CC2)C1	2029739348	AABYSPOIFBSWGU-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@@H]2C[C@@H]3CCCC[C@@H]3C2=O)CC1	2034259764	CGTKGDYMIPABAX-XJCPWDRGSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC[C@H]1C=CCCC1	2035569738	UJJNJKAFEUHWOZ-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCCNCC1(C2CC3(CC3)C2)CCCCCC1	2036182889	SFNFDNCPWUEZLQ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)CCCC1(CNC2CC2)CC2(CC2)C1	2036200273	OJOBXIVVUMCHIJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCCC[C@]2(C)C1)C1CCCC1	2036664310	JOBXYLIUTDTUKW-RKTXRCNFSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)[C@H]1CCC2(CCCC2)C1	2037679725	UABJIRAVBXGSPY-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H]1C1CC1)C1(C)CCCCC1	2039858915	GEAFOCJHSPCMJP-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)c2cccc(C3CC3)c2)C1	2040149498	LWQNXDFKADAMHF-STQMWFEESA-N	242.362	4.573	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@]1(C)CC=CCC1	2042073627	BXVBYDWQQXNGFR-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@H]1CCC=CCCC1)C1(C)CCC1	2045325833	IRFSHZLLWXQEMY-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)NC[C@@H]1CC12CC1(CCCCCC1)C2	2046227305	WQJSVZYZHLXNJD-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1[C@@H]1CC[C@H]2C[C@@H]2C1	2047345330	FRWOMCJDVSXSAI-ZJIFWQFVSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)c1ccc(C)o1	2048263483	KKQCGGPNVVWVMO-HNNXBMFYSA-N	247.382	4.519	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@H]1[C@H]2CCCCC[C@H]21	2048444606	GJOJAKRQHCEUEZ-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2[C@H]3CCCCC[C@H]32)CCC1	2048446083	GCKZXSVKMCRHAS-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2[C@H]3CCC[C@H]32)CCCC1	2048468941	PCKBCIIZBSXYEM-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2049202001	BDAOBAJZKPQBRZ-ABPIDSFRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1NC1CCCCCCCC1	2049673759	XMZSFSZCPJUWGJ-ANQUJSFKSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@H]1CC[C@H](C)CC1	2049684067	LPXDDMWRSYLKDA-CKEIUWERSA-N	245.410	4.636	0	10	BJAE	
CN[C@H](C[C@@H]1CCC[C@H](C)C1)[C@@]1(C)C=CCCC1	2049997576	OMTXXOPTBWNFMM-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
N[C@H](C1=CCCCCCC1)[C@@H]1CCCCC12CC2	2053407400	NRISDLPYLUEPMP-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
C[C@H](NC[C@@H]1CCCCC12CC2)C1CCCCC1	2053434995	ZFSPQXRKDCMRON-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@@H](N[C@H]2CCC3(CCCCC3)C2)CCC1	2055553575	AEUGPQGTJKGZED-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H]1CCC[C@@H]1C(C)C	2056452748	RRRVWPSSTBHWNG-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](N)C2(C)CCC3(CC3)CC2)C1	2056552405	LCQBQYKUMLWOHW-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CC(C2CC2)C1)CC1CCCCC1	2056650335	GBADLLOHGZHLNH-BDVYOWHSSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(NC[C@H]2CCC23CCC3)C1	2059393657	JDIXPNMLEBESLV-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C1=CC[C@H](CC)CC1	2061148618	WHZOGYFQEOHYAA-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H]1CCC[C@H](C)CC1	2061565917	HRIQICCNGXMHNP-ULQDDVLXSA-N	249.442	4.692	0	10	BJAE	
C1CCC(CCCNCC[C@]23CCC[C@@H]2C3)CC1	2061575506	SZYKQEXAQRHKAN-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CCCCCC[C@@H](CC1CC(=C2CCC2)C1)NC	2061737906	WIYYSKTZUIAGPR-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC1CCC([C@@]2(N)CCCCCC23CC3)CC1	2062020632	OPYSDQZTKFEOBU-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNc1ccc(C(C)(C)C)cc1	2062650524	DWCKYNYKQMYLKC-KGLIPLIRSA-N	245.410	4.832	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063536200	PNAJYALDJTUMFE-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)C=CCC(C)(C)C2)CC1	2063636134	NEIPLEALXNQDCE-QGZVFWFLSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC(=O)C[C@@H]([C@H]2CCC3(CCCC3)C2)C1	2063717008	YJQDFIQHNGXSNB-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC2(CC(C(=O)CC(C)(C)C3CC3)C2)C1	2063817759	MYCAJXMBRYAJEY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C1CCCCCC1)C12CCCC1CCC2	2063822057	NSOBDBXAGHAVQL-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCC1(CC2CC2)CC1	2069506741	GZRLOPGNEBCKND-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1[C@H]2CCCCC[C@H]21	2070400687	XHWJCBZVQWOGLJ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC([C@H](N)C[C@]23CCC[C@H]2C3)CC1	2070963633	QJDVKNRRHBBIND-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)C(C1CCC1)C1CCC1	2072428761	JAZNBCFKATYQLK-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C=Cc2cccc(N)c2)CC1	2072810325	VOKGKWYTGXZSQE-SHTZXODSSA-N	243.394	4.889	0	10	BJAE	
CCCC1CCC(Cn2cc(C(C)C)cn2)CC1	2075306718	NGYZQYOEYIIEFR-UHFFFAOYSA-N	248.414	4.613	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	2079862831	IGHIRTYZKCQKAR-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)c1c(C)cc(C)cc1C	2079863531	KJMXGVLVDMBTRT-HUUCEWRRSA-N	244.378	4.621	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)C12CCC(CC1)CC2	2079865546	OOFCSZNYCUTXLP-YXXKGXSTSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1[C@H]2CCCC[C@H]21	2081779503	GORAUSMRIDRYKB-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
C[C@H]([C@H]1CC[C@H](N)CC1)[C@H]1CCC2(CCCC2)C1	2082132367	DIXMDABLHVETIZ-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1[C@H]2CC[C@@H]1C[C@H](CC)C2	2084509288	ABXAQXKJYQTQFJ-ZOFXXKQRSA-N	249.442	4.608	0	10	BJAE	
CCCC[C@](CC)(CCC)CN[C@H](C)CC	2212580793	REGREFZWJCLTFK-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)c1ccsc1	2213278616	WRQPZXJMXWXAMJ-ITGUQSILSA-N	248.391	4.537	0	10	BJAE	
Cc1ccc(SCCCCCC2CC2)cc1N	2214556032	LSHQJNUDPSJZMO-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)[C@@H](C)C(C)C	2214572673	GHZCYXZMUMJLCH-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C1CCC(C)(C)CC1	2215332017	MOSPXJIEECYPNG-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)CC1(C)CC(C)(C)C1	2215377838	MLAVWKMFIHAYAK-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
Cc1sc([C@H](N)C=C2CCCCC2)c(C)c1C	2215538040	JQKDTTMYNPJBPZ-CQSZACIVSA-N	249.423	4.564	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNCC)CC=C(C)CC1	2215839166	VAIDYIIEMDZHHB-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC[C@](C)(CNC1CCC1)CC(C)(C)CC	2217126350	DAEDECNIUANVMV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CCCCC(F)F)CN[C@H](C)CC	2217145321	OLGUNIBNXIDSNY-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@H]2CC[C@H]21	2217283085	ODLQXNVJSAYXCU-UXIGCNINSA-N	249.785	4.503	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)CC1C[C@H]2CCC[C@H](C1)C2	2218356084	JDAWUVCCIUEGTI-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(N(C)CCCCCCC2CC2)c1	2218731520	KSYIGAVKJJAXON-UHFFFAOYSA-N	245.410	4.792	0	10	BJAE	
CCCC1(C(=O)CC=Cc2ccccc2)CCC1	2219079900	FDDDNVAAYMQYPL-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
C[C@](N)(CCCCC1CC1)[C@@H]1CC2CCC1CC2	2220028202	PWUSUKXRGBGSEY-BACDZXNISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(Cn2ccc3ccc(F)cc32)C1	2221086970	XLPQSGPGXAYYBZ-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](NC)[C@]1(C)CC=C(C)CC1	2221628495	XMQSVZRJHHBGDC-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C[C@@H]2CC=CCC2)C1	2222259238	KGMNGZXUFLMRNF-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CC(C)=C[C@](C)(N)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222955394	SLJVYZNUDDKEAF-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@H]1[C@H]2CCC[C@H]21	2223109406	NGSWJVMQODDJJR-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(CC2=CCCCC2)cc1	2243245644	PUJHQCOETLGGAP-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CCC[C@@H](CC)C(=O)[C@H]1CCCC(C)(C)C1	2244786531	VAJROJARQOURJA-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](O)C2CCCCC2)C1	2246731721	YJYDTRGICCBRGP-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCCC[C@@H]1C[C@@H]1C)C(C)(C)C	2247112354	LBZAPQDPUOTONG-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CCCC[C@H]1C[C@H]1C	2247151248	TYANBWLDEQXFGW-OWCLPIDISA-N	237.431	4.667	0	10	BJAE	
CCCCN(CCCC)CCCC[C@@H]1C[C@@H]1C	2247160108	RKAJBUUWMIQRBA-JKSUJKDBSA-N	239.447	4.715	0	10	BJAE	
CNc1cccc(-c2cc(C)c(Cl)cc2C)c1	2249083752	NCBIXQXRKXCVBO-UHFFFAOYSA-N	245.753	4.666	0	10	BJAE	
Cc1cccc(-c2ccc(C3CCC3)s2)c1N	2250260329	SYJOOAAVXMEGCY-UHFFFAOYSA-N	243.375	4.573	0	10	BJAE	
CCC[C@H](CC)CNc1ccccc1C1CC1	2250382936	VSXSSAZYFFQZCR-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCCC[C@H]1N	2250518347	IFJWGJJLAGCETG-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC1CC(CC(C)(C)C)C1)NCC	2251499301	BEXPBRWFEZRMAO-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccc2ccsc2c1	2253090151	RSMCJWBGKGJIFP-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC1CC2(CC(C)C2)C1	2254153054	GOOUWTHOUBNCEF-VFMGQHTLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C12CCC(CC1)CC2	2254574984	CMQYZGGLUVYICZ-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@@H]1C)[C@H]1C=CCCC1	2254592689	NXFWYXASOXUAHO-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC1(C)C)[C@H]1CC=CCC1	2254970563	FOZXBVYWNMMQDF-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H]1CCC1(C)C)[C@@]1(C)CC=C(C)CC1	2255010596	DETPUOOCRYFQOX-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC1(C(=O)C[C@H]2CCC23CCC3)CCCCCC1	2255023173	HYYIYRPOSDVQFP-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)C1(C2CCC2)CC1	2257340160	MIRKBONQEHEOQC-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CC1CCC(Nc2cccc(C(C)(C)C)c2)CC1	2257906561	GRMNSZVHIGAWMQ-UHFFFAOYSA-N	245.410	4.975	0	10	BJAE	
CCCC1(CNC[C@]23CCCC[C@H]2CC3)CCC1	2260527820	OQQCINDVCINYAA-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
C1CCCCC(NC[C@@]23CCC[C@H]2CC3)CCC1	2260547795	XELILEYLBMZCQO-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CC(C)CC1(C(=O)C[C@]23CCCC[C@H]2CC3)CC1	2260570091	OKWUSFQEQHIWMH-GOEBONIOSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C[C@@]12CCC[C@@H]1CC2	2260584858	XKHXDSRYTOPPBH-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2cccc(C3CCCC3)c2)C1	2260731278	VMAABZSODYENDY-SUMWQHHRSA-N	243.394	4.945	0	10	BJAE	
CC1=CCCC[C@]1(N)CC1CC(CC(C)(C)C)C1	2261260519	NCUGFEKSZVHURN-DQPZFDDXSA-N	249.442	4.667	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](O)C1(C)CCCCCC1	2298908736	RWQMQXWWGAVSQC-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC(C)=CCOc1ccc(C(C)(C)C)cc1	2300859922	ALORXNNIGHVLIC-UHFFFAOYSA-N	232.367	4.719	0	10	BJAE	
CC(=CC[C@@H]1CC[C@H](C)[C@@H]1O)CCCC(C)C	2300869578	KCMHHDFIZOISSS-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](CC=C(C)CCCC(C)C)NCC	2300937973	UBOMJDHPTJJUNV-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
Fc1cccc(NCCCC2=CCCCC2)c1	2302330398	BBWSQSVUAKQLCZ-UHFFFAOYSA-N	233.330	4.518	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@H]1CCC(C)(C)C1)NCC	2302674384	ACZSKOJZZPRERW-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)(C)C1)CC(C)(C)C	2302675489	LSGGFAHLOUWGDH-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@@H]1CCC(C)(C)C1	2302891891	GVRJXEUJCLDEGO-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CCC(C)(F)F)CC1	2303591849	FGSYIVVNWMOGTC-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC[C@@H]1CCC(C)(C)C1	2304352258	PSILCKFWPHGMRO-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1	2307911226	TWOPOEIHHRCQDO-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNCC)C=CCCC1	2307919951	LTKMHVNRHAVFAV-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
C1CCCCC(NC[C@H]2CCC[C@@H]3C[C@H]23)CCC1	2309405770	GNVGSOZJHADZIY-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H]1C[C@H]1C1CCCC1)c1cccc(N)c1	2311579136	VFXUEIOUWCHZHZ-MJEQTWJJSA-N	243.394	4.589	0	10	BJAE	
CC1(C)CCCCCN1C[C@H]1CC12CCCCC2	2313614472	OPAWIZLKCWFDSR-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C(CC1CC1)CC1CC1	2313626522	IXXPIWZKAXOHQG-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CC(=CCN[C@@H]1CCC12CCC2)CCCC(C)C	2316491854	QIBXXPPBKFNAGK-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
Nc1ccc2c(c1)CC[C@H]2CC1CCCCCC1	2317000281	BDXKDWQOMRAWGZ-AWEZNQCLSA-N	243.394	4.659	0	10	BJAE	
C1=C(CCCN2CC[C@H]3CCCC[C@@H]32)CCCC1	2318575873	JMSRMNPYDKBZFI-SJORKVTESA-N	247.426	4.532	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C[C@@H]2CCC[C@H]3C[C@@H]23)C1	2319131714	RHIFJZSUZNPZAG-HOSILWTGSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)C=CCCC2(C)C)CC1	2320330286	KUFMXYMFEMPARI-NVXWUHKLSA-N	247.426	4.587	0	10	BJAE	
CCC1(C)CC(CNC[C@@H]2CCC(C)=C(C)C2)C1	2320409555	VYVHJEABWLFAEB-KLAILNCOSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)C[C@H]3CCC[C@H]2C3)C1	2321603831	WERMJNJNPQLBHU-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2C[C@H]2C2CCC2)C1	2321646399	WXLJEERUSOKPHQ-QEJZJMRPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CNC2CC2)CC=CCC1	2328082435	CEGBSFNPJQJMEA-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)c1c(C)cccc1C	2328273603	OCWMNJSGCDONQF-JKSUJKDBSA-N	247.426	4.780	0	10	BJAE	
Cc1ccc2[nH]c(C3CCCCC3)cc2c1	1519650	WIUKVMWJQDHZSJ-UHFFFAOYSA-N	213.324	4.524	0	10	BJAE	
CCC[C@@H](C)N[C@H](C)c1ccc(CC(C)C)cc1	20565949	WUDUNLDCHKRKGO-HUUCEWRRSA-N	247.426	4.724	0	10	BJAE	
CCC[C@H](C)[C@H](N)c1ccc([C@@H](C)CC)cc1	21815754	URWHRMUQYGIBLM-XEZPLFJOSA-N	233.399	4.636	0	10	BJAE	
CCCN[C@H](c1ccc(C(C)C)cc1)[C@@H]1C[C@@H]1C	36820178	BIZRLGRHKWNEJK-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
C[C@H](NC(C)(C)CC(C)(C)C)c1ccsc1	50342591	PLFCXBTZIHPACJ-NSHDSACASA-N	239.428	4.614	0	10	BJAE	
CCCCC[C@@H](N)c1cc(C)c(Cl)cc1C	70023582	OAORKUBZLWAYPV-CQSZACIVSA-N	239.790	4.537	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cc(Cl)ccc2C)C1	70747523	KTVLBYXBLLCQFC-WCQYABFASA-N	237.774	4.639	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc3[nH]ccc3c2)C1	71106784	PRNKCOGFAFYPJG-GXTWGEPZSA-N	242.366	4.549	0	10	BJAE	
CC(C)(C)CCNc1ccc(C(C)(C)C)cc1	83360390	GMXQNMNZIPEKPI-UHFFFAOYSA-N	233.399	4.832	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1sccc1Cl	87621314	KSXWNGDQUYNBJM-KOLCDFICSA-N	245.819	4.618	0	10	BJAE	
CCCCCC[C@H](C)Oc1cccc(C(C)=O)c1	92025347	MWUUZOBWXCUGRD-ZDUSSCGKSA-N	248.366	4.627	0	10	BJAE	
CC(C)(C)CC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	109665594	ODUJASRDIYEZAK-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CC1(C)C(NC2CCC3(CCCC3)CC2)C1(C)C	129434474	WAOPDHGCGAEVHX-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1CCCCCC1)c1ccco1	149716536	AHVNCSWZESVYAB-DZGCQCFKSA-N	249.398	4.679	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)c1csc(C)c1	161325225	ACYFFBWBYJIPQQ-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CCNC[C@@H](CCCC(C)C)c1ccccc1C	166088003	MCPUZMSDFCSFHC-MRXNPFEDSA-N	247.426	4.514	0	10	BJAE	
Nc1ccccc1-c1cccc(-c2ccccc2)c1	196750545	KTQQVPGEQCPCQK-UHFFFAOYSA-N	245.325	4.603	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2CCCCC2)CC1	203537798	ZYSXVDDXDVCUKM-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCC[C@@H](C)C1	216301671	QFAIANLEWQPJGK-KFWWJZLASA-N	225.420	4.514	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)CC1CCC1	229672288	JQONDNXOIHBOFM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(O)(C2=CCCCCCC2)CC1	232935369	PWGMCMSWGAMYKK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2c[nH]c3ccc(F)cc23)C1	235444715	MZLFMVAKYJQRHR-GHMZBOCLSA-N	231.314	4.601	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C[C@H](C)CCC	251339176	OPIREXOCSKDLTD-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1[C@H](N)[C@H]2CCCCCCCCCC[C@@H]12	251582974	JOAIQQWJTAGQJG-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
N#CC[C@H](c1ccc(C2CC2)c(Cl)c1)C1CC1	260493530	HVGSACQTWLKDNC-ZDUSSCGKSA-N	245.753	4.625	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)c1sccc1C	300134143	IFHCYCTZOJKCRX-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(O)C[C@H](C)CC(C)C)c1	302403416	RWIGQTSIFURNDT-PBHICJAKSA-N	248.410	4.583	0	10	BJAE	
CC(C)C[C@H](C)Oc1ccccc1C(C)C	304424454	KBTWXIMILYLZFM-ZDUSSCGKSA-N	220.356	4.623	0	10	BJAE	
CC1(C)CCC[C@H]1NCC1CCCCCCC1	305967579	YDAUPDYSOFIONP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc2sc(C(F)F)c(Cl)c2c1	306888233	RRNMMSGWXJKMNJ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CC1CCC(C)CC1	308108051	XATLLRKHMGRDJH-SSHXOBKSSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)C1(CC(C)C)CCCC1	310127400	XNFSCVPWPIPCKW-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCCC1(C)CCCC1)C(C)C	310348035	GKSJDVZSNLTWIX-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC1(C[C@@H](NC)C2CCCCCC2)CCC1	310430366	QAUAKOYLLRDBPO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(C[C@H](N)C[C@H](C)C(C)(C)C)CC1	310530430	PVSKPQHNWQQQKL-OOJKYFRXSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC[C@H]2C(C)C)c1F	310672949	OIDXPNHOFMSZKC-UONOGXRCSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)C1(CC)CC1	310751011	IFJICBDQUMAKIY-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](c1ccccc1CC)[C@H](C)CC(C)C	310757075	NXUNPRBUAGOQME-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
Cc1ccc2ccn(CC3CCC(C)CC3)c2c1	311046415	WEWNBENXFIWRGV-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
CC[C@@H](C)[C@H](C)Oc1ccccc1C(C)C	319598940	LQGXWKHMKMNDSU-OLZOCXBDSA-N	220.356	4.623	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](CCC1CCCCC1)NC	320051982	LNMJALITXUAPMW-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C)[C@H](C)[C@@H](C)CC	320074036	NSDFKGHNGWXEBL-LXZKKBNFSA-N	247.426	4.636	0	10	BJAE	
CCC[C@H](N[C@H]1CCCCC[C@H]1C)C1CCC1	322448518	HJYSSVHVBYACIN-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CCC(C)C)C[C@H]1CCC[C@@H](C)C1	379810139	PAQFFRJHWOIMAI-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C(C)(C)C(C)(C)C	380137169	PLZKVLPYAOIWQH-CYBMUJFWSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(CC)c(C)c1	383131965	UPLFVWXLXCIHMK-OAHLLOKOSA-N	233.399	4.938	0	10	BJAE	
CC(C)CCCCCNC1C[C@H](C)C[C@@H](C)C1	383273457	NUXIIXWWMMJOGI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@@H](N)C(C)(C)C(C)(C)C)CC1	383829368	IOCQMAWNYOOXKU-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)CC(C)(C)C)CC1	384400428	CKFJCSISWYGLLV-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
Cc1c(C(=O)CC(C)(C)C)ccc2ccccc12	384451173	GYHBPDYEMKMZTJ-UHFFFAOYSA-N	240.346	4.767	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1C[C@H](C)Nc2ccccc21	393845536	DJCUYQVDBQCBPW-KCQAQPDRSA-N	231.383	4.657	0	10	BJAE	
CC[C@H]1CCC[C@@H](CCCCNCC(C)C)C1	394503724	AOUDUUJYSAKNNY-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCC23CCC3)cc1	394763703	HGAFCINTYSHLOC-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CC[C@H](N[C@@H](C)CC(C)(C)C)c1cccs1	395054893	NFSBENLMSYNVPY-RYUDHWBXSA-N	239.428	4.614	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H](C)c1ccccc1	395225537	AHGRDXAFOXSBEV-GDBMZVCRSA-N	234.383	4.512	0	10	BJAE	
CCc1cc(CC)c2cc(C(F)F)sc2c1	396168593	NYNWRALJBCHREU-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CSc1cc(C(F)F)cc2sc(C)cc12	396399627	BTWTWAAPHHCVGC-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCN[C@H](c1cccc(CC)c1)[C@H](C)C(C)(C)C	399128201	RRCLMOQAXVYGBY-BBRMVZONSA-N	247.426	4.582	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@@H](C(C)C)CC[C@@H]1C	585669483	QCPPKCNNDKRBCG-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
CCc1ccc(CC)c(NC[C@H](C)C(C)C)c1	689595737	LCMISFMSFSJYNU-ZDUSSCGKSA-N	233.399	4.515	0	10	BJAE	
CC[C@@H](C)Nc1cccc(-c2ccccc2)c1	689639040	CFJBPOICKJDGMN-CYBMUJFWSA-N	225.335	4.564	0	10	BJAE	
C[C@@H]1CC(Nc2ccc(C3CC3)cc2)C[C@@H](C)C1	690103364	VAMXDIBCQYAQEA-STQMWFEESA-N	243.394	4.801	0	10	BJAE	
NC1([C@@H]2C=CCCCCC2)CCCCCCC1	690415552	WZHHNUIPUAOYEE-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@H]1Nc1ccccc1	691154476	HGJQQUQNFNMGFH-HZPDHXFCSA-N	231.383	4.703	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CC(C)(C)CC	696178150	PWKLYAMOHUHYIJ-ZIAGYGMSSA-N	227.436	4.747	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)c1ccc(CC)cc1	696260667	ZSCLETGSQLHEIB-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCC(C)(C)CCC(=O)c1coc2ccccc12	696560516	POKNIYPDRLQILP-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1csc(C)c1C	696577542	YLSMMDCFMJNBMT-CYBMUJFWSA-N	239.428	4.581	0	10	BJAE	
CCC[C@@](O)(CCC(C)(C)CC)[C@H]1CC1(C)C	696726921	IWSLBERXYPRVSY-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCCNc1ccc2c(c1)CCCCC2	697770137	BTURDLWHRGAORY-UHFFFAOYSA-N	243.394	4.724	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C1CC2(CCC2)C1	700830063	DCKKKGHZAYUWTI-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](C(=O)C(C)(C)CC)c1ccccc1	701330552	ZWHSDMPEDNCHBS-HIFRSBDPSA-N	246.394	4.822	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@]2(C)CC2(C)C)c1C	702140521	FFSSREYKHGNLGI-KRWDZBQOSA-N	244.378	4.539	0	10	BJAE	
C[C@](N)(CCC1CCCC1)CC1CCCCC1	704888658	LCCXHUWZYPRKBW-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)CC1CCCC1	704914832	PKIOMFHFKMFUMT-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@H]1CCCC12CC2	706954849	KBEUFBFLAGVPRK-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@H](C)CC(C)C	708282487	KJZMWGKXEQOUHK-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC1(NC[C@H](C)CC(C)(C)C)CCCCC1	709078598	WROHNRSJBCYANI-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@](C)(N)CC1CCCC1	709160677	GHKZFDQEHAQJSE-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H](C)CC1CCCCC1	709771310	ZKNGNDRWXWHWEJ-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)C[C@@H](C)C(C)(C)C	710721987	YTFNBDQBQRLPFP-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@]1(O)CC(C)(C)CC[C@H]1C	713022243	FBQPMQMNSAUDDU-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCNC[C@H]1CCCCC[C@@H]1CC(C)(C)CC	713186154	UVOBWIOQBBKKOH-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](CC)(CN)CC(C)(C)C(C)C	713207892	DNZVERHVMCMNIM-HNNXBMFYSA-N	227.436	4.604	0	10	BJAE	
CC(C)NCC1(C[C@H]2CC23CC3)CCCCCC1	722882890	IOVBZVLCKUKRSR-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C1=CCCC(CNCCC2CCCCCC2)CC1	1308949851	ASCQIASXIDNCQJ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
c1ccc2c(c1)CCC[C@H]2SCC1CCC1	1640876640	DREYUHPUWBZSCP-OAHLLOKOSA-N	232.392	4.597	0	10	BJAE	
c1ccc2c(c1)CCCC[C@H]2SCC1CC1	1656588646	BZENSMAUEBZZGC-OAHLLOKOSA-N	232.392	4.597	0	10	BJAE	
CCC(CC)CCOc1cccc(C)c1C	1900690305	FIOUQYJHHJWPJG-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
CCC(CC)CC[C@H](O)C(C)(C)C(C)(C)C	1900703599	NYRLVNAENMRXAT-ZDUSSCGKSA-N	228.420	4.636	0	10	BJAE	
CC(C)=C(C)CCN(C)c1ccc(Cl)cc1	1901168576	VQVWLBHLDAMYRD-UHFFFAOYSA-N	237.774	4.523	0	10	BJAE	
CCC(CC)c1ccc(CNC(C)(C)C)s1	1901896481	SHFCPLMXEPRIRF-UHFFFAOYSA-N	239.428	4.540	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C(CC)(CC)CC	1905374962	SEOLMLODITZULK-ZIAGYGMSSA-N	228.420	4.780	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1CCC[C@H]1C(C)C	1907594190	MYAMHYQTTLIWGW-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCC[C@@H]1C[C@H]1C	1908545320	QMJKCUQEAOCKBG-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCC[C@@H]1C[C@H]1C	1911055104	BPUNFYOSSMVJMW-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@@]1(CCC2CCCCC2)C=CCCC1	1916564644	PHAAJOJEGMDJOM-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@](O)(CC)c1cccc(CC(C)C)c1	1919474952	MRAOXYYMWJFCIC-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CC1(c2cccc(NCC[C@@H]3CC3(C)C)c2)CC1	1921560439	CFYQOLAJXXKDSO-CQSZACIVSA-N	243.394	4.586	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCCC1)c1cccs1	1925931602	BMSOZVRQEQUTKK-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1csc(Cl)c1	1933558601	BNZWDADVGZLXJT-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
C[C@H](C[C@@H](O)CC1(C)CCCCC1)C(C)(C)C	1940411814	YJIBCPWYZZFXQZ-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](CCCC2(C)CC2)C1	1940884674	ZBTBDPZJRWTBJX-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CC1CCC(C)CC1	1941249814	BTHRRMYJKRFKOJ-FJBKBRRZSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)CCC1CCCCC1	1944479197	ZNOJNASLSRHEST-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCNC[C@]1(CC(CC)CC)CCCC1(C)C	1944481513	UFZLPRHQBMEJCN-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H]1CCC(C)(C)C1	1945578088	CLTMFDGIHZEJGH-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@H]1CCC(C)(C)C1	1945591821	KUMZEGYIQAHNHO-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](c1cccc2sccc12)[C@@H](C)CC	1945970255	MIMLWLBSECCFPJ-NHYWBVRUSA-N	247.407	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCCCC[C@@H]1C	1947466026	XCFHCSPVRGEWQC-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1C[C@@H](C2(O)CCCCCCC2)CC[C@H]1C	1947547168	PEBKOHHKQBVJNW-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)C(CC)CC	1947575143	FKXXOJXTJAZYGI-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](NC[C@H]1C=CCCC1)c1cccs1	1947585014	IAJAPGLMUHHIFY-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)C1=CCCCCC1	1948977852	SIQHTWZAXBSDTG-MRXNPFEDSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(C(C)(CC)CC)CC1	1949087679	FGHJZMWVVDASQT-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(Cl)ccc1-c1ccc(N)c(C)c1C	1949228569	JUCUPRVDGRXGCS-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1ccsc1Cl	1959878675	KSPGXIHUMAKELC-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
CCC(C)(C)CCN(C)C1CC(C(C)(C)C)C1	1963151097	ZERFEOMPUVFISU-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(CC)CNCC[C@@H](C)c1ccccc1	1964607747	XONJMOPKJDYXMK-OAHLLOKOSA-N	247.426	4.596	0	10	BJAE	
Cc1cccc(OCC[C@H]2CCC[C@H](C)C2)c1	1968270722	NOSOKZBYMDCVRT-DZGCQCFKSA-N	232.367	4.590	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](N[C@H](C)c2ccccc2)C1	1969249936	KJJAYLHUHVCKSX-HYVNUMGLSA-N	245.410	4.552	0	10	BJAE	
CC[C@H](NC1CC2(C1)CC(C)(C)C2)C1CCCC1	1970934839	SWKRJGJHQITPGF-HNNXBMFYSA-N	249.442	4.514	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C(C)(C)CC	1984618700	MVCFXIJZNSKVDT-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
C[C@@H]1CC(CC2CC(=C3CC3)C2)C[C@@H](C)C1	1985535435	URXRUPPGGALZDX-RYUDHWBXSA-N	218.384	4.949	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@@H](C)CC(C)(C)C	1990128131	VUHFMFBSJLKWES-KBPBESRZSA-N	227.436	4.569	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CCC(C)(C)C	1990128173	WGMHMEGNZDYFOU-CQSZACIVSA-N	227.436	4.713	0	10	BJAE	
CC[C@H](C)Cc1coc2cc(C)c(C)cc12	1995463557	LNZNGDBWCIHXTN-JTQLQIEISA-N	216.324	4.638	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@H](C)C1(C)CCCCC1	1995989134	ULCOVGXWFKLCQB-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](C)C1(C)CCCCC1	1995992478	YRGZZDHQQIHUCF-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)CCC1CC1	1996364052	TXPCAQNUTAUADV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)C(=O)CC1C[C@H](C)C[C@@H](C)C1	1996603160	PHHQPRACDNNPRO-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1cccc(C(C)C)c1	1996614275	BBUNQSINTKWVLZ-HNNXBMFYSA-N	233.399	4.636	0	10	BJAE	
CCC[C@H](C)CNC[C@H]1CCC[C@H](CC)CC1	1997100140	LZNUXNDYKQGPAC-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCCC1(C)CC1	2000196098	CKKGOLQHJXFFFR-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC1(C(=O)CCCC2CCC2)CCCCCC1	2000226370	NHSLQOFTTRSXBZ-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC[C@@](C)(CNCCC)C[C@@H](C)C1CC1	2000515052	PNHVUVPGJKHUKI-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC)C[C@H]1CC12CCCCC2	2001219344	YUSQSWYNKPDRGP-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@@]1(N)CCCCC12CCCCC2	2001571458	HIIPRAHOADZBEX-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCCC(O)(CCC)CC1[C@@H]2CCCCC[C@@H]12	2002197070	ASIBBBKMATVGMJ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)[C@@H]1CCCC(C)(C)C1	2002987491	XQJHUDFANZBFDO-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)[C@H]1CCC[C@@H](C)C1	2003012461	ADPLKRCRERMCEC-NPJQDHAYSA-N	239.447	4.616	0	10	BJAE	
CCCCC1CCC([C@@H](N)CC=C(C)C)CC1	2004233384	KDTOGXRRJDGHPJ-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H](C)C1CCCC1	2004233521	YBUGPGAJTQQIMA-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C[C@H](O)C1(C)CCCCCCC1)C1CC1	2004920538	KYIRHXLLKKIADO-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](Nc1ccc(CF)cc1)c1cccs1	2007030697	GTXSHPPOUPKMJW-ZDUSSCGKSA-N	249.354	4.781	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)CCC2CCC2)CC1	2007694856	IKCPGUXTARNMBI-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC([C@@H](N)CCC2(C)CC2)CC1	2009545125	WSONHHLJRAXHQY-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC1=CC[C@@H](C)CC1)c1cccs1	2010626205	QHNKYILRXGGYRE-OCCSQVGLSA-N	249.423	4.535	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C1=CC[C@H](C(C)C)CC1	2010713332	DDRYWLXAJKQXPP-ZFWWWQNUSA-N	237.431	4.523	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011976463	ONDMORQMVMFJCY-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)C[C@H](C)C(C)C	2015399697	ORZCUNJDVCEOLY-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CCCC1([C@@H](O)CCC2=CCCCC2)CCC1	2015638705	XPKIRBDOFLVREW-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@H]3C[C@@H]2C3)c(C)cc1Cl	2015650602	NWGUCDWLPUNTDS-SCRDCRAPSA-N	249.785	4.557	0	10	BJAE	
CC1(C)CC[C@@H](N[C@@]2(C)CCCC(C)(C)C2)C1	2017622380	IHOALZAISPZOGL-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](CN(C)CCC(C)(C)C)CC1	2017647272	DEBFVABKAWHDSD-SHTZXODSSA-N	239.447	4.571	0	10	BJAE	
CCC1CCC(C[C@H](O)[C@@H](C)C(C)(C)C)CC1	2017648873	QHQJVHAAJADIOY-URGYJCLVSA-N	240.431	4.636	0	10	BJAE	
CCCC1([C@@H](O)C[C@H]2CC[C@H](CC)CC2)CC1	2017649124	SGQDMENZXBHOAS-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@@H]2CCCCC[C@@H]2O)CC1	2017712510	PKJNPHQEGSNPRC-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](CC(C)(C)C)NC)CC1	2017727834	FBJGASVGKZWOCY-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)NCC1CCC=CCC1	2018129584	DMXACWDZLYHXGA-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](N[C@@H]1C=CCCCC1)c1cccs1	2019497966	KWUNWMQUELVTGV-KGLIPLIRSA-N	249.423	4.678	0	10	BJAE	
CC[C@@H](Nc1ccccc1C1CCC1)C1CC1	2021026942	KHTFDZQVVOLAHJ-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CC(C)(C)CCC1=O	2024126827	YOOUBCUILHTHKS-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1ccccc1C	2026083098	XRYADPOVDOMKRS-ZDUSSCGKSA-N	232.367	4.784	0	10	BJAE	
CC1CCC(C(=O)c2ccc(C3CC3)cc2)CC1	2028591109	PZMWYUVDSOINPE-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)c1ccc(C2CC2)cc1	2028598772	UQSRQMLQQUSIGR-LRDDRELGSA-N	245.410	4.636	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1	2028963850	GAMDYOYTRMDDQA-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@@]1(C[C@@H]2C=CCC2)CCCC1(C)C	2035585061	BQQBLEMBEZGNAL-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@H]1CC12CCCC2	2036100757	MUPJZNQWCKPRSB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@H]1CC12CCCC2	2036101882	VTBBGLCVJXBLKM-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@](N)(CCC1=CCCCC1)C1CC1	2037172193	SEJYTRQCXVETNI-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCNc3ccccc32)C1	2037698713	PKIDGTXDKHUCED-ZIAGYGMSSA-N	243.394	4.802	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC1CC2(CCC2)C1	2037977371	VWEZKWITUCZHQJ-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2CC3(CCC3)C2)CC1	2038090482	RXJWHDUBTLFRBJ-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@H]1CCCC[C@@H]1C)C2	2038934068	RDHJOCGBQOBNPF-MWMRAWMSSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@H]1CC=CCC1	2042031300	SFMHJUNUGXNUGS-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)NC[C@]1(C[C@H](C)C2CCC2)CC=CCC1	2042091187	JKAYABSOPSFAAM-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@@H]2CCC3(CCC3)C2)C1	2043609003	XFSUNLMBWDNSRS-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)C[C@@H]1CCC=CCCC1	2045315199	RLKOOLPWHUBKQE-BZUAXINKSA-N	248.410	4.764	0	10	BJAE	
CCCC[C@H](NCC)[C@H](c1ccccc1)C(C)C	2045762609	BABIINDGVGRTQI-IRXDYDNUSA-N	247.426	4.595	0	10	BJAE	
CN[C@H](C[C@H]1CC12CCCCC2)C1CCCCC1	2047015230	HLGXOILXNVGPSD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](N)C[C@@H]2CCC23CCC3)CC1	2047933165	RLUDUYBXYJNWPB-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](NC1[C@@H]2CCCCC[C@@H]12)C1CCCCC1	2048386164	XCQSMLUOQKAXGN-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@H](C)[C@H]1CCC[C@H](C)C1)c1ccco1	2049570220	JWXVDPZTRSZILN-XGUBFFRZSA-N	249.398	4.535	0	10	BJAE	
CC1(C)CC(C)(CN[C@]23CCCC[C@@H]2CCC3)C1	2050109367	ZOIZRQXBKKVGQU-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)[C@@H]1Nc2cc(CC)ccc2O1	2052191839	WFVSNQAEJJLITI-MRXNPFEDSA-N	247.382	4.596	0	10	BJAE	
CC1(CN[C@H]2CCC23CCC3)CCCCCCC1	2052501033	QKLWWBHCYZBVGJ-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCC[C@](CNC(C)(C)C)(C2CC=CC2)C1	2053692908	AMCFRMKZRAKJQQ-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC2CCC=CCC2)CC[C@H]1C	2055599761	MQBWBTSWVKHBPW-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
FCc1ccc(NC2C[C@H]3CCCC[C@@H]3C2)cc1	2055666701	CMWCLCOVBJAHLB-ZIAGYGMSSA-N	247.357	4.537	0	10	BJAE	
CC1(C(=O)CC[C@@H]2CC2(C)C)CCC2(CC2)CC1	2056535849	JZGDPNGCPMMOIT-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@@]1(C)C=CCC1	2056876725	SYYHPWGJKLJPQP-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CCC[C@H]3C[C@H]23)C1	2057362615	ZEXKSHBUKQJRSM-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(SC(F)(F)F)c(Cl)c1	2059094194	JAXDKQPXKQVUAU-UHFFFAOYSA-N	240.677	4.514	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1ccc(C(C)(C)C)cc1	2059198087	KPICYANMHJKSMC-SQRWCISFSA-N	245.410	4.730	0	10	BJAE	
C[C@H]1CC=C([C@@](C)(N)C2CCC(C)(C)CC2)CC1	2060912133	CFWAXSVGUQTXAL-SUMWQHHRSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C)CC1)C1CCC(C)CC1	2060925456	LAOBZLBWWJASNH-LYSZQXJVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)C1CC(C)(C)C1	2061093269	WQWUNCCOSJWOST-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CC(C)(C)C1)C1=CCC(C)(C)CC1	2061147627	PERKCCNYNDXSIU-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@]1(O)CCCC[C@H]1C1CCCCC1	2061560009	ATRHKCFTJPHRRT-IRXDYDNUSA-N	248.410	4.609	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H]1CCC[C@H](CC)C1	2061566062	IYQNDMHGLIGMDX-BBWFWOEESA-N	249.442	4.692	0	10	BJAE	
CCCN[C@H](CC(C)C)CC1CC(=C2CCC2)C1	2061725827	JFOVYHFZUYBVLV-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1CC(=C2CCC2)C1)[C@@H](C)CC(C)C	2061734607	OZCOAGFYLTWXFG-GUYCJALGSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(=O)C[C@H](CC2CC(=C3CCC3)C2)C1	2063713970	CFUXAGGRYDZQCT-ZDUSSCGKSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CC(=O)CC3(CCC3)C2)C1	2063720612	JXZOFMISXGXYQJ-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC23CCC(CC2)C3)CC1	2065274665	KVIURKPNDDBFNC-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
CCNC[C@]1(CCC2=CCCCC2)CCC1(C)C	2068243783	LXKJRXFVFBBMNB-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C[C@H]1CC12CCC2	2069188354	CFWRNWPEDFEPBV-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN2CCCC[C@@H]2C2CCC2)CCC1	2069268444	RBICZYNOULMDRK-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@@]2(O)C=CCC3(CCC3)C2)CCC1	2069339542	KPVXQRCJLHMKFU-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCC=CCC1)C1(CC2CC2)CCC1	2069502111	ZHZANSKHRNJBJV-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC2(CC3CCC3)CC2)C1	2069586363	BSHXKLGZGNZRQJ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H](C)C2CC=CC2)CC1	2070813291	BXBHJEPSLCCFAC-BFYDXBDKSA-N	249.442	4.536	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@@]1(CNC(C)(C)C)CC=CCC1	2070972589	UMVXQSCLPPGXAX-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(CCC(=O)c2ccccc2)CCC1	2071926746	SUTJEUUXVRIUCX-UHFFFAOYSA-N	244.378	4.866	0	10	BJAE	
CC(C)C1(C[C@@H](N)C[C@@H]2CCC23CCC3)CCC1	2071943586	OLXLKCWOIJXBPC-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2C[C@H](C)NC[C@H]2C)CC1	2072809834	QRZMHBYOFDHMFA-QKPAOTATSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(CC2CC3(CC(N)C3)C2)CC1	2072815330	LJJSPJGXAATTRZ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@]2(N)C=CCC[C@@H]2C)CC1	2072880770	ZOVRJXZLEPKGOR-ZGRYLRDCSA-N	249.442	4.667	0	10	BJAE	
C1CCCCN(C[C@@]23CCCC[C@H]2C3)CCCC1	2074052589	WYAYDYWKKBSGES-IRXDYDNUSA-N	249.442	4.613	0	10	BJAE	
CCC1(C[C@@](C)(N)c2ccc(C(C)C)cc2)CC1	2074623263	GGBDOHOSUFRXRL-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CCCC1CCN([C@H]2CCC23CCCCC3)CC1	2075014806	FMTDBRDBQPXDKM-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCC1CCC(Nc2ccccc2C2CC2)CC1	2077261945	IWAOKLFZSQUKFZ-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CCCCc1ccc([C@](O)(CC)CCCC)cc1	2077926433	ZZVMEVSVRLSNSU-KRWDZBQOSA-N	248.410	4.817	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2C[C@H]2C2CCC2)cc1	2079283466	SVKOKIDLRFLBMD-RDJZCZTQSA-N	243.394	4.658	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079820939	STFQGSKTAAGFNJ-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCCCC1CC(N)(C[C@@H]2C[C@H]2C2CCCC2)C1	2079830825	GRKYOQZIXSSTHB-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)c1ccc(C(C)C)cc1	2079867015	SXSYTNAOKJVSCG-CVEARBPZSA-N	244.378	4.819	0	10	BJAE	
CCc1cc(F)ccc1NC[C@H]1CCCC[C@H]1C	2081943960	CNHGRZZBUXSFCK-TZMCWYRMSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CC[C@H]2C2CCC2)C1	2082978486	HKCWLIVWMBFOGP-JLJPHGGASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC2(CN)CCC=CCC2)C1	2082984518	BNVUIFTXYGDWGZ-HNNXBMFYSA-N	249.442	4.668	0	10	BJAE	
CCC(CC)(CC)NCC1C2(CCC2)C12CCC2	2083576118	YHLFKKZGSBVJLX-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H]1CCCNC12CCCCC2	2083815386	FBXNFIFCQUKESQ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CCC(C)(C)C)CN[C@@H](C)CC	2212597677	PHQXKOVBKKGKST-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(O)c(-c2cc(C)c(Cl)c(C)c2)c1	2212873018	HDTRSZAHGRLHBZ-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC1(C)CC2(CCC2)C1	2215469152	JWUKGMOKXBSISE-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)CCC(C)=C(C)C)CC1	2215813638	OMHDFOVFIISJEX-CVEARBPZSA-N	236.399	4.620	0	10	BJAE	
CCCNC[C@@]1([C@@H](C)CCC)CC=C(C)CC1	2215841344	XXWOBNGRBOIWBJ-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC[C@]1(CN[C@H](C)CC)CCC=CCCC1	2217129291	JXAWAYBLSJGVRM-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)NC[C@H](C)CC1CCC(C)(C)CC1	2217145621	RICGPKZXJSCPIJ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1(C[C@H](C)CC(C)C)CCC1	2217146962	FHUKQCNDQYGZHH-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218330117	FDQRJJXFCVKKOQ-HOSILWTGSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](NC)C1C[C@H]2CCC[C@H](C1)C2	2218345286	DCLIHYGXTMFJJA-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C(=O)CC1C[C@H]2CCC[C@H](C1)C2)C1CC1	2218382815	NNTPHZYPWVMIDK-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
C(CCCCCC1CC1)=C1CCCNC12CCC2	2218721537	SHJGTDIBACLAQX-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1C[C@@H]1c1ccc(C(=O)CCCCC2CC2)o1	2220013734	NZOTUTQPMLPVGR-YPMHNXCESA-N	246.350	4.556	0	10	BJAE	
C[C@@H]1CC[C@@H]1CN[C@H]1CCCCC12CCCCC2	2220605249	HSJLEHJVEIIOMC-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CC(C)(C)C1)c1ccccc1	2221013555	LEZNCESYITYGQX-HNNXBMFYSA-N	245.410	4.554	0	10	BJAE	
CC1(CC(=O)CC2(C)CC3(CCC3)C2)CCCC1	2221087638	FKFMEPSGIKIOOP-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1=CC[C@](C)(NCCCCCCC2CC2)CC1	2221606407	DYXDVNZRWKUOCV-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Cc1cccc(C)c1C(N)(CC(C)C)CC(C)C	2222011840	QHPYKYYWZRJVOW-UHFFFAOYSA-N	247.426	4.550	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CCNCC12CC2	2223130122	JKBBGKIZDLKMPH-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC2CCC2)CC=CC[C@@H]1C	2223538438	AZNOYJFZOUSAFH-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
C[C@@](CNC1CCC1)(C1CCCCC1)C1CCC1	2223550547	XCZQDXPLJVKCAZ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)[C@@H](O)CC[C@@H]1CCCCC12CC2	2246623087	JMFLHBTXBLHBFQ-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CC[C@]1(CCCC[C@H]2C[C@H]2C)CCCCCN1	2247116713	BCNIOJHBPRZICO-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCSc1cccc(NC[C@H]2CCC2(C)C)c1	2247391011	LFHJQKWHHBNGMK-GFCCVEGCSA-N	249.423	4.647	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC1(C)CCCCC1	2248864169	BCKBYICCPBFQAT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](CN)CCCCCC[C@H]1C[C@@H]1C	2248877765	HHXKZOFEJTUTNL-XHSDSOJGSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@]12CCCC[C@@H]1CC2	2251158951	QPZHWNCCFBOJHN-SQWLQELKSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@]12CCC[C@@H]1CC2	2251215051	IJGSOWXXVABLKT-OWCLPIDISA-N	237.431	4.645	0	10	BJAE	
CC(C)CCCCC[C@H](O)CCC1CC(C)C1	2251762403	CBTQYVPLZWEBQL-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC23CCCC2CCC3)C1	2253943449	GEQJWDWUPHYEGO-XNIRIUNOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@](N)(C2CCC2)C2CC2)C1	2254000670	GEZONNYVCFGHRR-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(N)(CC[C@H]1CCC[C@H](C)C1)C2	2254146439	NHWSZUVYHNTNHH-MXAKUGKZSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(Nc1ccccc1C1CC1)C2	2254156915	BLSKKZCYFNUGOU-UHFFFAOYSA-N	241.378	4.555	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@@H]2CCC2(C)C)cc1	2254822791	TYGBFELLYQJSEI-JKSUJKDBSA-N	245.410	4.636	0	10	BJAE	
CNCC1(C[C@@H]2CCC23CCC3)CCCCCC1	2255027760	URBSXYSUEFQIAA-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](C[C@H]1CCCC12CC2)C(C)=C(C)C	2255245976	LEWWUJHDTSZYCV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCC1CC1)CC[C@H]1CCCC12CC2	2255251855	SRDUKTVDEMDYTB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NCC1(C)CCCCCC1)[C@@H]1CC12CCC2	2256441759	DEHLUGWYKKWSJF-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc([C@@H](NC)[C@@H](CC)CCC)cc1	2259444015	XMBBPOKIHISMRI-RDJZCZTQSA-N	247.426	4.726	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC=Cc1ccccc1)NC	2259451785	FJOLEWGFZBBROW-IAGOWNOFSA-N	245.410	4.504	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)C1(C)CCCCC1)C2	2259573303	DYEFNAIJCPKQLT-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC1CC2(CC(C)C2)C1	2259575642	IJMFFXWINQUKEU-ONNPGMOUSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@]12CCCC[C@@H]1CC2	2260525359	UTITXQMTODQBTD-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC1(C(=O)C[C@@]23CCCC[C@H]2CC3)CCCCC1	2260580971	YDVXMDMIALMSTL-YOEHRIQHSA-N	248.410	4.886	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H]1CCC[C@H]1C	2297868232	XJIRJHFRKQTSAK-KFWWJZLASA-N	238.415	4.988	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCC2(CCCC2)C1	2300703229	CVMZRRPXSHGINX-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC(C)=CC[C@]1(CNC(C)C)CC[C@@H](C)C1	2300860024	BUHYBWIMBJKDGL-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(=CCc1ncccc1C)CCCC(C)C	2300862343	CCKBKNQNKGJWME-UHFFFAOYSA-N	231.383	4.705	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C[C@@H](C)C(C)C	2302577604	QOPDIDFHOQJFNW-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)C[C@@H]1CCC(C)(C)C1	2302720208	FIMRTGLCNONBNG-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](O)CC[C@H]1CC[C@@H]1C1CC1	2303064571	BTUUUUAOHUONPA-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCC[C@H](C)C2=O)CC1	2303521778	JRCALZWGHJSDJE-NWANDNLSSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H]1CC[C@H]1CC(C)C	2307752306	PWMXYTSEHUEBLS-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(C)(C)[C@H]1NCC	2307899248	BGTRTDKSZSLEGL-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CNCC)C=CCCC1	2307919948	LTKMHVNRHAVFAV-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NC[C@@]12CCCC[C@@H]1C2	2311127023	ZCMGIOQCITUTKQ-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]2CC[C@H]1C2	2312890483	YHHPGIFSCSIMFB-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1C(N)(C1CCCCC1)C1CCCCC1	2316417020	XFKMHDWYSOTNRE-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
N[C@H](C1CCCCCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316791240	MURFYIBFMCESSE-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCCC1)C1CC(CC2CC2)C1	2316885869	SVFSEZGLJQPRDK-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CC[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2317012894	KSGXMWJNUNAPTL-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2c1ccn2CC1CCCCCC1	2317015032	FBZQLAWVRSJMAJ-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1ccc(F)cc1C1CC1	2317059479	HQSKTIIWYCYWKW-HNNXBMFYSA-N	249.373	4.529	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)[C@H](C)C(C)C)c1	2317825304	WUYJDINSYVQCKB-KGLIPLIRSA-N	247.426	4.904	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C[C@@H]1CCNc2ccccc21	2317838308	ZTDJTMDLSJJECN-ILXRZTDVSA-N	245.410	4.904	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CC(C)(C)[C@@H]1C	2318270022	JOOSZXRZTWFGHB-IUODEOHRSA-N	244.378	4.675	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C)c(CC(C)(C)C)c1	2318580992	RJOIRFFWUCYHPO-AWEZNQCLSA-N	247.426	4.644	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@H]1C[C@H]1C1CCCC1	2318878958	RAWORYJOLIMYQZ-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@]12CCCC[C@H]1C2	2320320392	NTMGVPAIMVUNRG-OEUWWYETSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1C[C@@H]1C	2320397661	JVSHGAKTBKSHFX-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)C1(C)CC(C)C1	2320410492	FFAXAPBIVWOKEQ-UNXMRWRESA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H](C)C2CCCC2)CC1	2320425221	VWWKYEAVMKPNNH-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)C[C@@H]1CCCCC12CC2	2320432961	VOCSMVVXRDSFMC-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cccc(F)c2O)c1	2327672214	AVNNELMVFWAYBG-UHFFFAOYSA-N	244.309	4.630	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](N)c1cc(C)ccc1C(C)C	2327673770	SXAKIDYABCIXHO-CPUCHLNUSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](CNC)c1ccccc1	2328189328	IISNFMNXXHNMMS-RDJZCZTQSA-N	247.426	4.596	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)c1cc(C)ccc1C	2328283056	UHDKVPLJRWIZQM-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
Cc1ccc(C)c2[nH]c(-c3ccc(F)cc3)cc12	1516960	WDMCIWLAVCPERG-UHFFFAOYSA-N	239.293	4.591	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2cccc3c2CCCC3)C1	19990905	TXZUBZCAZTXXBJ-ZFWWWQNUSA-N	243.394	4.556	0	10	BJAE	
CC[C@H](O)C1CCCCCCCCCCC1	34477918	WJOAMKQSHJHWLV-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)c1cc(C)sc1C	50401025	NDXSBBVGWFASPW-WCQYABFASA-N	239.428	4.594	0	10	BJAE	
CCCCC[C@@H](CC)NCc1ccc(CC)cc1	75423406	FMAUWHIEJHGOSA-QGZVFWFLSA-N	247.426	4.698	0	10	BJAE	
Fc1ccc(-c2cccc3ccccc23)cc1	82089956	RJWOCLNRCRUAFM-UHFFFAOYSA-N	222.262	4.646	0	10	BJAE	
CCC[C@H]1CCC[C@H](Nc2ccc(F)cc2)CC1	86922607	NBONEAVGBLXZIH-ZFWWWQNUSA-N	249.373	4.987	0	10	BJAE	
CCCCCCC1(C(=O)O)CCC(CC)CC1	87933866	AMSZMTIUIGAXFX-UHFFFAOYSA-N	240.387	4.628	0	10	BJAE	
CC(C)C1CCC([C@@H](O)CCC(C)(C)C)CC1	87961991	QGNQFLZBINPYCI-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2C[C@@H](C)CC(C)(C)C2)c1	91510799	WEAWCPLIGPHKED-DOMZBBRYSA-N	249.373	4.761	0	10	BJAE	
CCCNC[C@](C)(CCC)CC1CCCCC1	104018071	FTYKVESXPOCQNT-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)c1ccc(C)cc1	104018378	JUXOPIZWRXXEHR-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCC[C@H](C)[C@H](O)c1ccc([C@@H](C)CC)cc1	104044271	BKUHSENXJWDQAH-XEZPLFJOSA-N	234.383	4.670	0	10	BJAE	
CCCOc1ccc(C)cc1NCC(CC)CC	107795009	IKAHJHHVKISIRH-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)C1CCCCC1	109726320	GUASZZKGNHEFDR-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H]1C[C@H](C(C)C)CC[C@@H]1NC	110446129	KLIAYDQEELAQBS-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Sc1ccc(C)cc1N	111744536	YJUXJKGWDKUEIZ-OCCSQVGLSA-N	249.423	4.638	0	10	BJAE	
CCCC[C@@H](CCC1CCCC1)NCCC	124665022	JZINXBIJMULARE-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@H](N)c1cc2cccc(F)c2o1	130177255	FIYDSSLTYNQBCD-ZDUSSCGKSA-N	249.329	4.542	0	10	BJAE	
CCc1ccc2nc(CC(C)C)cc(Cl)c2c1	131698443	AZXBYXRBNSKIHK-UHFFFAOYSA-N	247.769	4.649	0	10	BJAE	
CCCCCCN[C@@H](C)c1cc(C)cc(C)c1	132443918	JADNKDHVRCXPEH-HNNXBMFYSA-N	233.399	4.534	0	10	BJAE	
CCCC[C@H](C)Nc1cccc(C(F)F)c1	134499823	GRYFSJWHARBRDA-JTQLQIEISA-N	227.298	4.615	0	10	BJAE	
CCc1ccccc1N[C@H]1CCC(C)(C)C[C@H]1C	155828627	PMSBYOCMECKHJW-HIFRSBDPSA-N	245.410	4.876	0	10	BJAE	
CCCCC[C@H](NCC)c1cccc(C)c1C	159534968	WWUJDMDXHUATFU-INIZCTEOSA-N	233.399	4.534	0	10	BJAE	
O=C(CC1CCCC1)c1cc2ccccc2s1	165138670	PQTQBBVRZKFNAN-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCC(CC)C(=O)c1ccc(C(C)(C)C)s1	165331438	GEWDSUFRIKONTH-UHFFFAOYSA-N	238.396	4.665	0	10	BJAE	
CCC[C@H](C)COc1cc(Cl)ccc1Cl	166489237	IHVSJXJDOSIZNB-VIFPVBQESA-N	247.165	4.808	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)C[C@H](C)CC(C)(C)C)c1	166795807	XMVOHJGTBOYGDJ-HOCLYGCPSA-N	248.410	4.799	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C[C@@H](C)C(C)(C)C	166846980	GLEKLOZQIIAWLB-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)CC(=O)c1c(C)c(C)c(C)c(C)c1C	167176326	CTTWLOBNXJVLJH-JTQLQIEISA-N	246.394	4.848	0	10	BJAE	
CNC(C1CCCCCC1)C1CCCCCC1	167760006	BKTWWFVRYDSALO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CC1CCCC1	167828514	GOLJBHYNHGTTGO-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
C[C@H](Nc1ccsc1Cl)c1ccsc1	188755502	KIHAWMFOADOIKD-ZETCQYMHSA-N	243.784	4.636	0	10	BJAE	
CCc1cc(Cl)ccc1C(CC)CC	201286306	OVWHISNWYMOYLH-UHFFFAOYSA-N	210.748	4.806	0	10	BJAE	
CCc1cccc([C@H](C[C@H](C)C(C)(C)C)NC)c1	228858604	SLEDWTHYHSJOKQ-BBRMVZONSA-N	247.426	4.582	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)c1ccoc1C	233546426	XOTPUNJSICUTMY-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@H]1C(C)(C)C)c1ccoc1	251227856	AHZGPYOVCHDRCD-NWANDNLSSA-N	249.398	4.535	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@]1(O)CCC(C)(C)C	252217721	ZPDDOCYCUPPLCW-IIAWOOMASA-N	240.431	4.636	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@@H]3C[C@H]4CC[C@H]3C4)c2c1	300263397	USICKRCTMGFYNN-MELADBBJSA-N	239.362	4.688	0	10	BJAE	
CC(C)(C)CCCC(=O)C1(C)CCCCC1	300928286	URRHXOIZQCBNFB-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](C)C(=O)[C@@H]1CCCC[C@H]1CC	300952953	PGSJVJYSZNORCI-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](C)/C(C)=C/C1CCCCCCC1	302289190	KVPVOPJRRBWYQA-SZGUKTLCSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](CCCC(C)(C)C)[C@H](N)c1ccccc1	305910014	HUADPHNVMYQOTN-ZFWWWQNUSA-N	233.399	4.539	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1ccc(C2CCC2)cc1	305968280	PKVWYFJDHSOWAC-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CC(C)C[C@H](C)COc1ccccc1C(C)C	306016466	XPHOVCDBKTZIBC-AWEZNQCLSA-N	234.383	4.871	0	10	BJAE	
CSc1c(Cl)cc2ccsc2c1C	306739968	SRELUWJFSFNOHK-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@H](CC)CC(C)C	308053338	ADSFKHXMTPGARR-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCCCCCC(=O)c1sc(C)cc1CC	309404578	VTAMBYOKRXJVGR-UHFFFAOYSA-N	238.396	4.772	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@@H](C)C1)CC(C)C	310425751	OZTKFQZAJWXZBX-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H]1C[C@@H](C)C[C@@H](C)C1	310593505	QHZFNKPXARYAQW-NHAGDIPZSA-N	241.378	4.947	0	10	BJAE	
C[C@@H]1[C@@H](N[C@H]2CCCC23CCCCC3)CC[C@H]1C	313008422	IHMHMCSLZXOUOF-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC12CCCCC2)C(C)C	313112077	MEGQRDKYVLTWQR-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCNCC1(CC2(CC)CCC2)CCCCC1	317216017	BASYVQGSYYUDFP-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CNC1CC1)C1CCCCC1	318114399	VHYPWEYFEPJTGO-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(CC)(CNC(C)(C)C)CC1	318207145	FGJYICHOKQVQDR-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)[C@H](C)n1ccc2cccc(Cl)c21	319524156	ACPJHDGHTHORLE-MNOVXSKESA-N	235.758	4.902	0	10	BJAE	
CC(C)CCCCCNC1(C)CCCCC1	383126471	CHLWRIWHCQOOLO-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@H](C)c1ccccc1	383473011	CVAUFPYVMBQUCE-NVXWUHKLSA-N	248.410	4.758	0	10	BJAE	
CCCN[C@@H](c1ccccc1C(C)C)C1CCC1	386234838	BCISLBJOOPEYEM-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCC[C@H](NCCC1CCCCCC1)C1CC1	394554910	CEEDPTPELRQBGI-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2NCC23CCCCCC3)C1	394640007	SVEOBGXDUJUHNY-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC/C(=C/C(CC)(CC)CC)CNCC(C)C	395134638	UHBGSNYGNFLFLR-PTNGSMBKSA-N	239.447	4.785	0	10	BJAE	
CSc1cc(C(F)F)cc2sc(F)cc12	396231909	BIEVFEODDDGRHH-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1ccc2sc(C(F)F)cc2c1F	396257986	WZCOBQBVWSDMND-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1c(C(F)(F)F)cc2sccc2c1C	396310497	VTDIYKXAIXJNLG-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
O=C(CCC1CCC1)c1csc2ccccc12	398609523	FJIDNEVYPOQSRC-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
C[C@@H](CC(=O)C(C1CCC1)C1CCC1)C1CCC1	398904204	IZITVWYSJHJSPA-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@H](C)C(C)(C)C	399057766	BSLSWNOCITXTPO-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)CC1(CC)CCC1	401330569	DGCFYZXFRSYLIQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC=CCC1)C(C)(C)C	402345321	RXOQHOBWQMWMMB-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CCC/C(=C/Br)CC1	606291527	RIHDYRRKZYNBNT-JUDLJHIGSA-N	245.204	4.892	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C1(C(C)C)CCC1	686921366	BVQDSRPKEITNMS-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CCCC1(CNCCCC2CCCC2)CCC1	687529127	NTUSGDGKXAATLT-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCNCC/C=C(/C)c1cccc(C(C)C)c1	688967315	MWTGNBTUNKWGKZ-NVNXTCNLSA-N	245.410	4.603	0	10	BJAE	
Cc1ccccc1N[C@H](C)CC1CCCCC1	689720182	SPRAPNDEJKQFSY-CQSZACIVSA-N	231.383	4.766	0	10	BJAE	
CSc1ccc(N[C@H]2CCCCC[C@@H]2C)cc1	691101842	JXVLSVXNFFZKDQ-WFASDCNBSA-N	249.423	4.789	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)CCCC(C)(C)C	691133194	HWECGEDOIFJETF-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)c1cccc(C(C)(C)C)c1	691656719	XZJOAEAVSKINFW-ZENOOKHLSA-N	247.426	4.666	0	10	BJAE	
CCC(C)(C)CCCC[C@@H](N)c1ccccc1	696705513	WVDDYPGEHKAWOW-OAHLLOKOSA-N	233.399	4.683	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1CCCC12CC2	706266970	HKSTZPYXTXRQDM-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCC1CCCC1)[C@@H](C)CC(C)(C)C	708297689	SIRBMRRPZJVXPE-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(C[C@@H](C)CC(C)(C)C)C1	709077334	IUQTVEIJPQWIFI-LZWOXQAQSA-N	239.447	4.604	0	10	BJAE	
Cc1cccc(C)c1NC[C@H](C)CC(C)(C)C	709095173	DKQVFRPCXNRBQW-GFCCVEGCSA-N	233.399	4.788	0	10	BJAE	
C[C@@H](C[C@H](N)CC1=CCCCC1)CC(C)(C)C	709182569	CQIHYQPNWDBXEB-ZFWWWQNUSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CCCC[C@H]1C(C)C	710025534	PNUCRLCHGVYCSX-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](C[C@H](CC)C(C)(C)C)c1ccccc1	711054957	RCFAMJQNOQZMNS-JKSUJKDBSA-N	247.426	4.800	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCc2cc(N)ccc21	711275123	RYJSEBNUTHIMHV-GFCCVEGCSA-N	231.383	4.515	0	10	BJAE	
C1CCC(CCCN[C@@H]2C[C@H]3CCCC[C@H]32)CC1	712392530	YGGRHQQGOSGQHS-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C[C@@H](O)CC(C)(C)C(C)C)C(C)(C)C	713128022	NMVHJWBEKSNASD-ZIAGYGMSSA-N	242.447	4.882	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)CC(C)(C)C	713229162	MDFBWZLJVRCVQB-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1c(C)csc1C	724984249	NCYKETSPHBNTBF-ZDUSSCGKSA-N	240.412	4.615	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@H]1Nc1ccc(C2CC2)cc1	821905816	HRFVQTDAWGPVAA-BLLLJJGKSA-N	243.394	4.801	0	10	BJAE	
Cc1cc(Cl)c(N[C@@H]2CCC[C@H]2C)cc1C	1181919681	ICBWHVLLEXUCPW-NOZJJQNGSA-N	237.774	4.557	0	10	BJAE	
C[C@H](CCC1CC1)NCC1(C)CCC2(CC1)CC2	1875731545	HZKXMOUCIKLVFI-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@@H](O)C[C@@H](C)C(C)(C)C	1900699385	ZKAXQGZHFUOJQK-TZMCWYRMSA-N	228.420	4.636	0	10	BJAE	
CCCCC[C@@H](N)CC[C@H]1CCC(C)(C)C1	1903409787	RZBPEFIYWDYZFO-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)COc1ccc(Cl)c(F)c1	1905291278	CPEWNRGUAPNICR-SNVBAGLBSA-N	244.737	4.684	0	10	BJAE	
CCCNCCC=C(C)C[C@@H](CC)CCC	1905367426	WYKIRWAJIVDRTG-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CC)CNC(C)(C)C	1905368269	GLVUAUDFAIIAEC-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC[C@H]1CCC	1905381571	LARNRAVOPKLKTE-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
C=CC=CCCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	1911807574	NYDPZEVDBOEYCW-HRCADAONSA-N	246.394	4.684	0	10	BJAE	
Clc1ccc(N[C@@H]2CCC3(CCCC3)C2)cc1	1916420850	BKBUOEFAKZIHDU-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
C[C@H]1CC([C@]2(N)CCC3(CCCC3)C2)C[C@H](C)C1	1916440975	YBBVKYIDYIDKSK-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H]1CCC(F)(F)C1	1919973730	JCNXJXLVBBVYOC-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC(C)C[C@](O)(CC1CCCC1)c1ccccc1	1920023532	BLVXAVLKILSVMW-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCNc1cccc(C2CCC2)c1	1921556581	AAGOQXLEKVBAKQ-OAHLLOKOSA-N	243.394	4.802	0	10	BJAE	
CCC[C@@](N)(CC[C@H]1CC1(C)C)C1CCCC1	1921566119	YPWSLQUYPYFUDK-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H](C)C1CCCC1	1924091152	FQXJPYPSAXEMCM-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H](C)C2CCCC2)C1	1924139634	RLXVIQLMHIRGMX-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCc1ccc(C(=O)C[C@H]2C=CCCCC2)cc1	1925795829	CBRNGCMVAJIJDV-HNNXBMFYSA-N	242.362	4.568	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)c1ccc(C)s1	1936270928	LJQLYOABWOSHCB-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1ccccc1C(C)C	1940615968	JIJPXHSVSBJKOC-BBRMVZONSA-N	234.383	4.670	0	10	BJAE	
CSc1ccc(NCCC[C@H]2CC2(C)C)cc1	1940877513	RBLNYCRJNQSIQQ-LBPRGKRZSA-N	249.423	4.647	0	10	BJAE	
CCN[C@H]([C@H](C)C(C)C)[C@H](CC(C)C)C(C)C	1941265938	YFFQEUVBRNMISC-BZUAXINKSA-N	241.463	4.575	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC(C)(CC)CC)CC1	1941357895	UUTYOZPYCVXGIL-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@]1(N)CCCC1CC1	1941584645	PXXGZRDLMYHAAX-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)[C@@H](C)C(C)C	1941585142	DMFXTVUXUOIFMY-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC1(CNC(C)C)CC(C)(C)C1	1941987114	IBZWEXYLFOLINT-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)[C@H](C)CCC(C)C	1942665657	ZONCRGWZHYOSIA-OAGGEKHMSA-N	241.463	4.848	0	10	BJAE	
C[C@H]1CC(C[C@@H](O)CCC(C)(C)C)C[C@H](C)C1	1944199348	MLLAEDGKVLLPFK-NFAWXSAZSA-N	240.431	4.636	0	10	BJAE	
CC(C)C1(NCC2CCCCCCC2)CCC1	1945279342	VGEHYYWSYFBAMK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC=C[C@@H](C)NC1CCC(C(C)(C)CC)CC1	1947056110	BFUSLAUJLWDADA-WLYUNCDWSA-N	237.431	4.536	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CC1(C)CCCCC1	1947513884	ATHXSZHWJQPFTF-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC1(C)CC([C@H](N)CCCCCC(C)C)C1	1948411232	NQIURTFKHJUZNE-HWOWSKLDSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCC(C)(C)CC1)C1CCC1	1949040792	WGHMRYFNDQBELM-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H](C)C2CCC2)CC1	1949040837	WWCWDQPKLOWYMM-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCc1ccccc1N[C@@H](CC)CC1CC1	1950100317	MKOKDJUEBYVMKS-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(CCC2CCCC2)CC1	1950929187	FGVXQCSAIJXMQP-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CC1CCC(NC2CC(C3CCCCC3)C2)CC1	1965990562	ZDRWONMRWYDHDW-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C[C@]1(CNCC2CCCCCCC2)C=CCCC1	1966038704	WZDYDUGISSNMNB-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCC12CCCC2	1967700108	UQKHPHLUYNHUNO-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCC1(CC)CC(Nc2ccc(C)c(F)c2)C1	1968319546	ZFOJIHGPOYIFKT-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NC2CC3(CCCCC3)C2)C1	1972430350	QJJBBUVCAWOZGF-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](CNc1ccc(Cl)c(F)c1)C(C)C	1988764485	MBQLAVYWVVBRQM-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)[C@@H](C)CCC(C)C	1988783691	VAYDULYHMJBDQA-LSDHHAIUSA-N	225.420	4.523	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)C[C@@H](C)CC	1990093241	IWYYLHFKNBMGDY-KKUMJFAQSA-N	227.436	4.760	0	10	BJAE	
CC[C@H](NC1CCCC1)C1CCC(C)(C)CC1	1996594505	NDGOSBCCEARORO-HNNXBMFYSA-N	237.431	4.514	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@@H]1CC=CCC1)NCC	1996613284	PSENCGBTIVRMPO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1CCC[C@H](CC)CC1	1997102156	CVAQRXTYPSAVTN-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CC(=O)C[C@H](C)c1ccccc1	2000190592	PXOHYRBBEPWUMP-KBPBESRZSA-N	232.367	4.576	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)[C@H](C)C(C)C	2000508890	MLCBQLUCCDHBEP-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@H](C)CC(C)C	2000510975	FJKBECHVYOJGLY-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CC(C)(C)NC[C@H]1CCCCC12CCCCC2	2001577870	ICYUVRCJOYUALY-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)C(=O)CC1[C@@H]2CCCCC[C@@H]12	2002228406	PQBONEPMBOAKMQ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CC1CCC2(CC1)CC2	2003222091	UKZBKRXFEDJQMK-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CCCC[C@H]1C	2004228497	PJDGHBGLEKXRFU-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CNC[C@H]1CCCC[C@H]1C	2004710789	CQUARAOWENQWMV-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)c1cc(C)cs1	2007937045	KNQOLRFAXDHVJJ-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
N[C@@H](CC=C1CCCCC1)CC1CCCCC1	2007944533	IKEURGGLGPZGMZ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H](CC)C(F)F)cc1	2009033579	KWPMIMIYZZLQEV-GWCFXTLKSA-N	241.325	4.656	0	10	BJAE	
CC=CCCC[C@H]1CCCCCCCC[C@@H]1O	2009593892	PGUQYMRZIXKBNP-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)C[C@](CC)(C(=O)O)C(C)C	2012420959	HFFBYQCHFBIBBV-HIFRSBDPSA-N	242.403	4.730	0	10	BJAE	
C/C=C/CCCc1cc(C)ccc1C(F)(F)F	2012483015	ILZONAVGZXLCID-ONEGZZNKSA-N	242.284	4.913	0	10	BJAE	
CCCNCC1CCC2(CCCCCC2)CC1	2013211300	IWHNLOVPGDWCHR-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CCC[C@@H]1C(C)C	2013262679	CPIFEWKCWNBJHR-OAGGEKHMSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(O)C[C@@H](C)C(C)C	2015268836	FTKLYCUUUMAYQH-OWCLPIDISA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CC(C(C)C)C(C)C	2015278968	SUMHKPPAWGBGCE-ZBFHGGJFSA-N	242.447	4.738	0	10	BJAE	
CC[C@H](C)c1csc(C2(CC3CCC3)CC2)n1	2015793440	NNYUJTORSGYGCS-NSHDSACASA-N	249.423	4.878	0	10	BJAE	
CC(C)=CCC[C@](C)(N)[C@@H]1CC[C@H](C)[C@H](C)C1	2016114445	HDJINCOFDBRKOM-JJXSEGSLSA-N	237.431	4.523	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C1CC1)C(C)(C)C	2016146494	XGZCNKHKOVIZIX-HIFRSBDPSA-N	237.431	4.536	0	10	BJAE	
CC(C)(C)C1(C[C@H]2CCCC[C@@]2(C)O)CCC1	2017117306	UGNPUTDSYJOTIY-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC=C(C)[C@@H](NCCC)C1(C(C)(C)C)CCC1	2017136625	LWEQUABSLHBIQL-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CC1(C(C)C)CCC1	2017144911	XKZTZIWZBZJGCD-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@](O)(C[C@H]2CC[C@H](C)CC2)C1	2017650422	GXPPHLMXZWHVBT-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC)[C@@H](C)C[C@H]1CC[C@H](CC)CC1	2017731350	QLQHNBZIIXQCEU-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(Cn2cc(C)c(C)c2)CC1	2017768090	PLZJZIYTESDDFI-UHFFFAOYSA-N	233.399	4.711	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H]1CCCC1(F)F	2018132603	ZVPQJHAHLUCPHU-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@]12CCCC[C@@H]1C2	2018576326	ZOLIIQBVFJRBDP-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@@]2(N)CCC[C@H](C(C)C)CC2)CC1	2018982301	KRWBSQKVADFWLG-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(N(C)[C@H](C)CCC(C)C)CC1	2019163549	ZGSWUHIWVLMPJC-QQFBHYJXSA-N	239.447	4.712	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(O)(CC(C)C)CC(C)C	2022448714	QHOKZXOWLWZRLA-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CC(=O)C[C@H]1C[C@@H]1C(C)C)C(C)(C)C	2022553801	JBEYECTYWOBPFM-GZBFAFLISA-N	238.415	4.700	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)CC(F)=C1CCC1	2023187164	OOFHLZOIOBMCRZ-HNNXBMFYSA-N	241.394	4.588	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CCCCC(C)(F)F)CC1	2023312049	QYBDLKSJQUXDIZ-OCCSQVGLSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H](CC1CC(C)(C)CC(C)(C)C1)[C@H](C)N	2024100496	CWIWRAHCTAUKLD-JSGCOSHPSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C(=O)C[C@H]1CCCC(C)(C)C1)C(C)C	2024101676	MHWZSUYYJDOQQB-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CC(C)(C)C(C)C	2027518413	QVLLELVIJRBWQE-INIZCTEOSA-N	247.426	4.882	0	10	BJAE	
C[C@@H]1C[C@H](CCCC2(C)CC2)Nc2ccccc21	2027836028	HBDMATGTZLZZDD-KGLIPLIRSA-N	243.394	4.945	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CCC[C@H]21	2028782976	QZEDYGFXQFBHSU-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H]1C[C@H]2CCCC[C@H]21	2028788010	WUKLSALFWKKTFO-BZUAXINKSA-N	246.394	4.662	0	10	BJAE	
CNCC1(CC2CCC=CCC2)CCCCCC1	2028869449	IGDFHTXQDLUIMH-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCN[C@@H](CC(C)C)c1ccccc1CC(C)C	2028914615	IEUZGHYQYVWXCT-KRWDZBQOSA-N	247.426	4.582	0	10	BJAE	
O=C(CCCC1CCC1)c1ccc(C2CC2)cc1	2029074279	JJKRKWFOQWTXIL-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
C[C@H]1C[C@H](CC2CC3(CC3)C2)c2ccccc2N1	2036723891	HEPOMHKKKVPZQT-GXTWGEPZSA-N	241.378	4.555	0	10	BJAE	
CN[C@@H](CCC1CCC=CCC1)CC1CCCC1	2038108120	PDYLJVNXNGNDFC-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)[C@H]1CC=CCC1	2042020191	VHPVWIXONIPKEO-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@@H]1CC=CCC1	2042031301	SFMHJUNUGXNUGS-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@@H]2C=CCCCC2)C1	2043006428	GFEPJSJDPSBLCJ-WLYUNCDWSA-N	248.410	4.764	0	10	BJAE	
CC[C@H](N[C@H](C)CC1=CCCCC1)[C@H]1CC1(C)C	2043186886	HWZYFAONJYFFRK-BMFZPTHFSA-N	249.442	4.680	0	10	BJAE	
CCC[C@@H](N[C@H](C)C1CC(C)C1)c1ccccc1	2043543837	NGQBQEVNPDLFEM-VVBDHPJYSA-N	245.410	4.552	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@H]1CCC=CCCC1	2045323929	QKXWGNSHCPMKMN-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCC[C@](C)(CNC1CC1)CC1CCC=CCC1	2045993187	CMAIKHBLSDOEFQ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCN(CCC(C)=C(C)C)Cc1ccccc1C	2046660829	JBARLZFAAFQDOR-UHFFFAOYSA-N	245.410	4.563	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CCCCC2)C1CCC1	2047016911	RVLZXBXTWGUXSV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047437750	NZQPLFJBTDBMJN-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C1CC1)[C@@H]1CCCCC12CCCCC2	2048127018	GVKHZORVXLXVLW-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@H]1CCCC2(CC2)C1	2048868689	LXDQQQVFEOOCJC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CC2CCC3(CC2)CC3)C1	2049857878	QHJBFEYBZXTBJS-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2CC23CCCCC3)C=CCCC1	2050007609	FNIZWJUGSBGCRW-GOEBONIOSA-N	246.394	4.662	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC1=CCCCCCC1	2050450120	MEPJCWWIDUNWOG-KRWDZBQOSA-N	243.394	4.666	0	10	BJAE	
Cc1ccccc1[C@H](N)CC[C@@H](C)CC(C)(C)C	2050459316	VUORHSNGLQLPSU-CZUORRHYSA-N	247.426	4.847	0	10	BJAE	
CC(C)=CCN(C)[C@H]1CCCCC12CCCCC2	2051390372	RIQZZZSIBTWYAI-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@@H]2CCCCC23CCC3)C1	2053356341	DWLJKZHXDMRIAG-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)[C@H]1CCCCC12CCC2	2053412468	OZEVUUSHMDAERY-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)[C@H]1CC[C@H](CC)CC1	2053662422	OHWXGNKGFNKZRW-XIRDDKMYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H]1C[C@H](C[C@H]2C=CCCC2)C[C@@H](C)C1	2055011349	GKJXUJLLLVMWAU-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)C2(C)CCCCC2)CCC1	2055547024	QMKHAEYJNDPGCC-HZPDHXFCSA-N	249.442	4.824	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCCC(C)=C2C)CC1	2055550326	BHUSAQDRBRBJBP-CGZBRXJRSA-N	249.442	4.824	0	10	BJAE	
CC=CCCC[C@H](NCC)C1C[C@H]2CC[C@H](C1)C2	2059225923	SXXGJHFMDNFREZ-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C=C=CCCC1(CNC(C)(C)C)CCC(C)CC1	2061566524	NRCIVYIQDMFIEN-UHFFFAOYSA-N	249.442	4.692	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCC[C@@]12CCC[C@H]1C2	2061572933	URTVYGBKGYWUOD-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CC2CC(=C3CCC3)C2)C1	2061699947	RSXVRMWFHWPXQH-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CCC(CC)(CC)CO[C@H](C)c1cccc(N)c1	2061845008	KFIHETCXDAJBMM-CYBMUJFWSA-N	249.398	4.563	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@]1(N)CCCCC12CCCC2	2062645819	IEKNAMREHJKXQD-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C(=O)CC2CC3(C2)CC(C)(C)C3)CC1	2063210117	BDTZFKIMPNRHSN-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C(=O)CC2C[C@@H]3CCC[C@H]3C2)CCC1	2063421158	ZNLSGSGIACAJOS-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC(C)(CCC(=O)C1C[C@H]2CCC[C@@H]2C1)C1CC1	2063516506	PFBSFGZYDSRVLM-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc([C@H]2CC(=O)CC(C)(C)C2)cc1	2063726775	QHEREVNOTOQPLP-HNNXBMFYSA-N	244.378	4.673	0	10	BJAE	
CN[C@H](CCC1CCCC1)C12CCCC1CCC2	2063822982	YOBHPVCSHRZJLA-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
NCC[C@@H]1CCC[C@H](CC23CCC(CC2)CC3)C1	2065339378	YZRYJDLNUDUNFN-YZUHTNEWSA-N	249.442	4.502	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](C[C@H]2CCCC3(CC3)C2)N1	2066376151	REKUZHHNRNMAQK-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(C(=O)CC2C[C@@H]3CC[C@H]3C2)CC1	2068701986	GUUBQSSTQSVAGG-UAOKOLBASA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](CNC2(CC3CC3)CCC2)C1	2069492204	NAUXPGFYKDTRLZ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@]23CCC[C@H]2C3)cc1	2070791548	XHLDPLHFTCRISS-QRTARXTBSA-N	243.394	4.802	0	10	BJAE	
CN[C@H](C[C@]12CCC[C@@H]1C2)C1CCCCCCC1	2070962502	JXGGPMHWVKOSJB-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CC1	2071189050	COUWTTPSKXFBAG-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)[C@H]2CC=CCC2)CC1	2072793696	MPRYVJHUQOOOJN-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccnc(C2CC2)c1	2073294979	TYUFEJIAHBEZDV-AWEZNQCLSA-N	246.398	4.730	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)Cc1ccccc1	2073340884	OGWNPHWWHSHWFV-DOTOQJQBSA-N	247.426	4.566	0	10	BJAE	
CCCC1(CN(C)[C@H]2CCCCC23CCC3)CC1	2074590310	JNELWCGEGPSEGX-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@@H]2C[C@H](C)Nc3ccccc32)CC1	2074635695	FPSQHCKOYGNVCG-KBPBESRZSA-N	243.394	4.945	0	10	BJAE	
CCCC1(C[C@@H](NCC)C23CCC(CC2)C3)CC1	2074643346	DNTDRRLYUSATHU-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](N)[C@@]23CCCC[C@@H]2CCC3)CC1	2074647419	XEZJKPAHXZZCFL-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)[C@]12CCCC[C@H]1CCC2	2079851792	NDWHUUBGXAEPNU-AESZEHBQSA-N	248.410	4.598	0	10	BJAE	
CCCNCC1([C@H]2C=CCC2)CCCCCCC1	2081681702	DFAPIMSJGWOABT-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CC(C[C@@]2(N)CC=CCC2)CC(C)(C)C1	2082976935	VDXLYQPWFKGCCF-QGZVFWFLSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@](O)(CC)CC[C@H]1C[C@@H]1CC	2211553461	UGDPUKNBUVMWHI-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@](C)(O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213276946	FRSOJMYXVMVQHW-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC)CCCCCCCC1CC1	2213576548	RAPNIPKKQPSALQ-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCCCc1ccc(-n2ccc(C)c2)cc1	2214616030	UVIYTNICWAEHHM-UHFFFAOYSA-N	227.351	4.518	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCC[C@@H](C(C)(C)C)C1	2216255043	BOUFWTSRADBVPA-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)CN(C)CCCCC(F)F	2216485514	QRUMVQWTMPFGKD-ZDUSSCGKSA-N	249.389	4.570	0	10	BJAE	
CCC[C@@H](CCC(F)(F)CC)CN[C@H](C)CC	2217139430	HBMUEZFRZZGOMY-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](C)NC[C@H](C(C)C)C1CCCCCC1	2217144613	HKBZUDXRAZRXQX-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CC1	2218326734	XYIFEGJXQSHCGD-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218336237	BEBWGIZAMBPAIM-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
C(=Cc1ccccc1)Cc1ccc(C2CC2)cc1	2219075989	KBHDQKQGNJOINQ-UHFFFAOYSA-N	234.342	4.820	0	10	BJAE	
CN(CCC1CCCCC1)C[C@@]1(C)CC=CCC1	2221604582	ZCGYDECZHKYBQL-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
Cc1cccc(C)c1C(=O)C(C)(C)C1CCCC1	2221929511	XTKJGXYYBQJPJW-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CNCCCC(C)=C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222954077	HICXYSFAQIZAMQ-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc(C)c(Cl)c1	2244776169	VQLXUGWGLBVZGE-LLVKDONJSA-N	238.758	4.657	0	10	BJAE	
CC(C)CNCCCCC[C@@H]1CCC[C@@H](C)C1	2246727505	NNJRMALYSUBGMG-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](CCC(C)C)CC[C@H]1CCC[C@H](C)C1	2246733513	QXYHYBJIEHLISH-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@@H](C)C(C)(C)C	2247175540	JRTHACUWJOMZSF-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H]1CCC1(C)C)NC	2247303417	MAZOGTMGJPAIRD-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(C[C@H]1CCC1(C)C)C1CCCCC1	2247446915	KQHYRTXDGMXWQN-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@@H](C)CCC2CC2)cc(C)c1C	2249497779	AVCSIXUZYYIUSB-ZDUSSCGKSA-N	231.383	4.602	0	10	BJAE	
CC(C)(C)CC[C@H](N)C1CC(CC(C)(C)C)C1	2251539933	YGVFGMUCBNBYNB-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)C1)C1(C)CC=CC1	2253660537	DCFAWMWVBAFPBS-PCKAHOCUSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@@H](C)C(C)(C)C)CC2	2253865504	PMUKTPMGJYWEDY-HIFRSBDPSA-N	245.410	4.794	0	10	BJAE	
C[C@@H](CC1CC2(CCCC2)C1)C[C@@H]1CCCCN1	2254083403	DRQYQCBPBUJEHR-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(CN)CCCCC12CC2	2254585224	MUXWMHJWSOOSAD-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(N)CCC2(CCCC2)C1	2254609244	XENDQPJRSUCYPD-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@H]2CCC2(C)C)cc1	2254835400	UMBSYHYLMRDSPF-HZPDHXFCSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)C[C@@H]2CCCC23CC3)C1	2255224942	GLIZEWLVEZBOHZ-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC1(N)CC2(C1)CC2(C)C	2257245682	BMIYCMSFCIENFJ-JCAIJIATSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)C[C@]12CCC[C@@H]1C2	2257247383	KENZADOJVRZAMT-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CC2CCC1CC2	2257362785	UUMPXCDUVJTWJX-XRQWDYAESA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cc2cc(C)ccc2o1	2259434306	AINQIXYLSWPSMV-WBMJQRKESA-N	246.350	4.601	0	10	BJAE	
CC1([C@H](N)C[C@@]23CCC[C@H]2CC3)CCCCCC1	2260611674	WLXNHHLKIVAJTP-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
CCCC1([C@@H](N)C[C@@]23CCCC[C@H]2CC3)CCC1	2260623413	NGTQJHLLEYPJFR-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CC1(C(=O)C[C@]23CCC[C@H]2CC3)CCCCCC1	2260652962	VRCJDYSHBMAHIF-WMLDXEAASA-N	248.410	4.886	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)[C@H]2CC=CCC2)C1	2261247077	NYDLDZQRBKCRGG-NRXISQOPSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](C[C@H]2CC23CCC3)C1=O	2261448687	GQGJDXDTWBAJID-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C[C@@H]1C[C@@H]1C)NCC	2297868386	ZWOCJIUTJAEJAV-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](C)(C(=O)CCC1=CCCCC1)C(F)F	2299824533	FYRLRTGQZXXRHE-AWEZNQCLSA-N	244.325	4.518	0	10	BJAE	
CCC(C)=CC[C@H]1C(=O)C(C)(C)CCC1(C)C	2300891813	VGKZHSMJGYLLJS-ZDUSSCGKSA-N	236.399	4.764	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)C(C)(C)C(C)(C)C)C1	2302674373	ACHGVCOAKYFHAZ-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](O)[C@@H](C)CC(C)C)CC1	2303522784	MKELTKXPFSZNTF-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CC[C@H]1CCC(C)(C)C1	2304431829	OROSZCUMMAECLT-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@]2(C)CC2(C)C)C1	2304435051	GLCKFGBKBBKGIL-MLGOLLRUSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CN)CCC(C)=C(C)C1	2307840743	DCPTUKOAIIJTJR-CVEARBPZSA-N	237.431	4.668	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CO)CCC=CCCC1	2307874064	GGTRXYOWFHXGME-CVEARBPZSA-N	238.415	4.702	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)C(F)(F)CC	2307893251	HQCCQLWDOIJRIN-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H](CC)CCC[C@H](N)c1ccccc1	2307907010	JLZGLPNXOIOMTL-ZBFHGGJFSA-N	233.399	4.683	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309174092	AQGWVAAVMVPMMH-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309482897	VFOORELLXJODHV-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C[C@H]1CCC[C@@H]2C[C@H]12	2309959950	IXTKFIDLCYSQHQ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](N[C@@H]1CC[C@@H]1C1CCC1)C1CCCCC1	2310980952	RHSZUNSMRDWBAQ-BRWVUGGUSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(=O)[C@@H](C[C@@H]2C[C@H]2C2CCCCC2)C1	2311806326	GTQSXUSRARKGRE-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312905689	PTECORFHPBQWCF-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CC[C@]1(C)NCCC1=CCCCCCCC1CC1	2315195665	NHMJKIUWZIPDDH-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCNC[C@]1(CC=C(C)CC)C[C@H]2CC[C@H]1C2	2316489713	HFTZGVZKXCDNAH-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C[C@@H]1CCC[C@@H]2C[C@H]12	2316537562	SLADLOWMHSPRLW-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CC2CCCCCC2)CC1	2316874459	RIHCAFPRTGCFSK-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
N[C@@]1(CC2CCCCCC2)CCCC[C@@H]1C1CC1	2316881219	OACSILGWOHQJAJ-IAGOWNOFSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@H]1CCC[C@H]1C	2317921945	DIXOYJWMCLKBTQ-OLZOCXBDSA-N	249.373	4.797	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)CCC2=CCCCC2)C1	2317965605	ZMHIFHJOWHAHFR-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N1[C@H]2CC[C@H]1c1ccccc12	2318002002	TYTYHEGLNRMAQE-PYTWLRIVSA-N	243.394	4.559	0	10	BJAE	
C[C@H]1C[C@H](C)CC(N)(CCCC2=CCCCC2)C1	2318546228	QJCNBPLRUGLSDB-GJZGRUSLSA-N	249.442	4.811	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1CNCCCC1=CCCCC1	2318581453	WWWOCTSQNPZYFA-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1C[C@H]2CCC[C@H]21	2318586813	NCEANBMMZWDLSN-BZUAXINKSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@@]23CCCC[C@@H]2CC3)C1	2319128192	HPGLTIOXRYFMOY-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H](C)C2(C)CCCC2)CC1	2320230425	HFOFHBXOMOIIHA-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2CC[C@@H]2C(C)(C)C)c1	2320255295	VQSPSIRPSONPIC-CABCVRRESA-N	246.394	4.755	0	10	BJAE	
CC1=C(C)C[C@H](CNc2cccc(C)c2C)CC1	2320422154	ZHGQMNMCMNKWOO-MRXNPFEDSA-N	243.394	4.852	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@@]12CCCC[C@@H]1CCC2	2320438435	ZQEVIGCJQDPCHF-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@@H](CNCC[C@H]2CCC(C)(C)C2)CC1	2321625616	CALBHTKRIZBIIO-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)C23CCC(CC2)C3)C1	2321651717	PVWBZEPGILOREC-HCEZTOJASA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NCCC[C@@H]2C[C@H]2C)c1F	2327777411	GGLMOUVAJMVHHZ-CHWSQXEVSA-N	249.373	4.797	0	10	BJAE	
CC=C[C@@](C)(N)c1ccc(CCCCCC)cc1	2327924010	RANYXNMFSROWGZ-QGZVFWFLSA-N	245.410	4.559	0	10	BJAE	
Cc1cc(C)cc(NC2[C@H](C)CCC[C@H]2C)c1	19989088	IDLDUSJRHKAZOQ-ZIAGYGMSSA-N	231.383	4.540	0	10	BJAE	
CCCCSC/C=C\CSCCCC	33780283	ABZBCKSJFJVAKK-FPLPWBNLSA-N	232.458	4.609	0	10	BJAE	
Cc1cc(C)c(NC2C[C@@H](C)C[C@@H](C)C2)c(C)c1	84468597	CXGWSXQBEVSCOP-HBBFGDNQSA-N	245.410	4.848	0	10	BJAE	
CCCCCC(C)(C)[C@H]1CC[C@@H](C)C[C@@H]1NC	85156684	OXECGFKRUDXGCJ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@@H](CC(C)C)c1ccccc1)C1CC1	86117600	KELZXZYYCRTELR-IRXDYDNUSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)C1CCCCCC1	87946796	KRNQMLZTCOSDNK-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H](Sc2cccc(C)c2N)C1	91945070	LDPBFAFWYOORLM-QWHCGFSZSA-N	249.423	4.638	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CCCC[C@@H]1CC	93074022	QQXFYOJGQSDFLL-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCNC[C@H](c1ccc(C(C)C)cc1)[C@@H](C)CC	93190439	BRNBHRGHEFWPTC-YOEHRIQHSA-N	247.426	4.549	0	10	BJAE	
Cc1ccc(NC(CC(C)C)CC(C)C)c(C)n1	94664133	SOPJGBGWMCQMHE-UHFFFAOYSA-N	248.414	4.571	0	10	BJAE	
CCN[C@H](c1cc(C)oc1C)C1(CC)CCCC1	94900945	DZURXOCAPCZRID-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
Cc1ccc(C(C)C)cc1[C@H](CCCN)C(C)C	96890731	CKWBRQLJXOHZJT-MRXNPFEDSA-N	247.426	4.597	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C(C)(C)CC)cc1	104005912	PGBAWMSVGHFLBE-GFCCVEGCSA-N	232.367	4.819	0	10	BJAE	
CCC[C@H](C)CNc1ccccc1OCC(C)C	109911390	TVLYMENTUNLLKO-AWEZNQCLSA-N	249.398	4.570	0	10	BJAE	
CC(C)(C)C1CCC(c2cc(Cl)on2)CC1	126658925	WHRBOEPZAXJTOI-UHFFFAOYSA-N	241.762	4.648	0	10	BJAE	
CCCCC[C@H](N)C[C@H](CC)CCCC	143423012	RTPWWZYEBIWIDH-KGLIPLIRSA-N	213.409	4.501	0	10	BJAE	
CCCC[C@H]1CC(C)(C)CC[C@H]1CNCCC	156288511	ALBZJFXHLXDHBT-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCC[C@@H](C(C)C)CC1	165635313	YQOPGKHGTKFPKA-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CCCC(C)C)c1coc2ccccc12	165987270	AARVVGWBBJONEC-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CCN[C@@H](c1cc(C)c(C)cc1C)C(C)(C)CC	168669303	GGWAWRJAWUDBGA-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)C1CCCCCC1	226878964	MMEMVDOEBUPOPE-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@H]1CCC[C@@H](C)C1	226979989	WOMPDEBNWMWNNZ-PVAVHDDUSA-N	246.394	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CC[C@@H](N)c1ccccc1	227161447	FJSBTJZTHZCYGT-HLLBOEOZSA-N	245.410	4.683	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)CC1CCC1	229678391	FWVOAQDBTOBLJC-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
CCc1ccc([C@H](CC)NCC(C)(C)CC)cc1	234026061	AUTHWLPFDYCRHN-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
C[C@H]1CC[C@H](c2c[nH]c3c(Cl)cccc23)C1	235686548	ILWDGWITVWIDGB-UWVGGRQHSA-N	233.742	4.725	0	10	BJAE	
COc1cc(C(C)C)ccc1C(F)(F)C(C)C	259019441	PLQZTQJJAFUDFE-UHFFFAOYSA-N	242.309	4.566	0	10	BJAE	
Cc1cc2sccc2c(Cl)c1Cl	307200031	YRHJORKWIBODQX-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1CCC[C@@H](C)CC1	310309062	SYHWJMLWHSUIRS-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
Cc1cccc([C@H](N)CC2CCC(C)(C)CC2)c1	310764569	NJGUKQITSAPKND-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H]2CCC[C@@H](C)C2)c(C)c1	310821807	BSROVSVLLAFMGG-ISTRZQFTSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC([C@H]2NCC23CCCCCC3)CC1	311065105	ZTFPPNWPFOFCLA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](O)(C1CCCC1)C1CCC(C)CC1	313482041	YSCKRFLXVPFMFO-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2C=CCCC2)CCC[C@@H](C)C1	317366878	JJSRTWWLWCYESO-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(CCC2CC2)(CNC2CC2)CCC1	318433108	QIQACHRBMHZWRS-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)[C@@H](C)[C@H](C)CC	319450398	SPFZGTMOLCQOPO-OWCLPIDISA-N	241.463	4.721	0	10	BJAE	
CC(C)CCCCCNC[C@H](C)c1ccccc1	383216002	QSFUTEGCXVWJRW-INIZCTEOSA-N	247.426	4.596	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@@H](C)c1ccccc1	383473009	CVAUFPYVMBQUCE-DOTOQJQBSA-N	248.410	4.758	0	10	BJAE	
CC(C)NCC(C)(C)CC1CCC(C)(C)CC1	383530908	QVSCWQCYOCOJOK-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
N[C@H](CCC1=CCCCC1)c1cccc(Cl)c1	384846303	KBVCZEHVJZFHSP-OAHLLOKOSA-N	249.785	4.620	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CCCC[C@H]2C)cc1	384977780	JDXVDFPZHVXEPQ-CJNGLKHVSA-N	244.378	4.819	0	10	BJAE	
CCCCCC[C@@H](C)NCC(C)(C)C1CCC1	385027274	JPZLDACXLRGYCI-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1cscc1N[C@H]1CCC(C)(C)C[C@H]1C	387281446	GGHHKEZEFSIQDP-PWSUYJOCSA-N	237.412	4.683	0	10	BJAE	
Clc1sccc1NC/C=C/c1ccccc1	387369633	FTGJHFHDBAPQGO-QPJJXVBHSA-N	249.766	4.527	0	10	BJAE	
CCc1sc2cccc(C(F)F)c2c1C	396231816	AVKZLHQNRRLZSD-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CSc1c(C(F)F)c(F)cc2ccsc12	396257884	WMECWFREZJMMPL-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CCC(C)(C)C2CC2)c1	405717956	GXCXMXWYUHIGQC-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CC(C)(CCNc1cccc(Cl)c1)C1CC1	406021442	DFADIPABHOLPBY-UHFFFAOYSA-N	237.774	4.578	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CC1CCCCC1	691184755	JKZRPUSEEHWPTA-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@]12CCCC[C@H]1C2	693247024	TXAGMORUQLPHKQ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](NCCC)C1CCC2(CC1)CC2	695615753	XCSURMQXZPEPNT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@]1(O)CCCC[C@@H]1C(C)(C)C	697596756	BYUDXXBQUPXDSJ-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)C2(C(C)C)CC2)cc1	697598313	XKYDBSILFYOAQR-CJNGLKHVSA-N	245.410	4.636	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCCC(F)(F)C1	702565993	QZFQUOCSQYAKOI-CHWSQXEVSA-N	247.373	4.513	0	10	BJAE	
CCC[C@H](NC[C@@H](C)C1CCC1)c1ccccc1	703041143	VGTIWEKMFJRBAX-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CNCCC)C[C@@H]1C	703315097	AEUJRYYCQGKOHL-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC[C@](C)(N)CCC(C)(C)C	704847584	ZUXISDHHHJATBH-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CC[C@@H](NCC[C@H]1CC=CCC1)c1cccs1	706943935	DHXUCOSFFKTAPP-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
CCCc1ccccc1[C@H](NC)[C@@H](C)CC(C)C	708300419	CNCQMCIIMVBUMH-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
C/C(=C/CCNC(C)C)C[C@H](C)CC(C)(C)C	709084750	MVDVHJXLACEDQX-MZLJFPOFSA-N	239.447	4.783	0	10	BJAE	
C[C@H](NCCC1(C)CCCC1)[C@@]12CCCC[C@H]1C2	709158438	RMIHIXJRJPDGQF-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(F)c(CC)c1	709652198	JOUOGVHWMAPPMC-GFCCVEGCSA-N	237.362	4.769	0	10	BJAE	
CCC1(C[C@H](NC)C23CCC(CC2)CC3)CCC1	710046334	HBOIVNGBDJAXRY-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@]12CCC[C@H]1C2	711220939	GGGXMHZPVBLIQY-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@@H]1CCCCC[C@@H]1CC(C)(C)C	713169957	SWMOCEQWLLDXQA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714497080	BYKINROTSSSQKP-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)c1cc(C)co1	716149587	XKAQMUWTNDOOPB-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@@H]1CC[C@H]2C[C@@H]12	716902331	UXGDQSSUBIMPHG-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H]1CC(C)(C)CC[C@@H]1CCCC(C)(C)C	717463073	JHTCVPVUECZMJR-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC1CCC=CCC1	718018193	IHCMZIBMCPRBLU-MRXNPFEDSA-N	249.442	4.824	0	10	BJAE	
CC(C)=C(C)CCNCC[C@H]1CCC[C@@H](C)C1	718522500	ZSMSBVHRYKFYNA-GDBMZVCRSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CCc1cc2cc(F)ccc2o1	718648311	PMHQYSSUWZNBSG-UHFFFAOYSA-N	232.298	4.861	0	10	BJAE	
CC(C)=C(C)CCCc1cc(F)cc(F)c1	718788640	ROBLSPXFFXEPLJ-UHFFFAOYSA-N	224.294	4.644	0	10	BJAE	
CC(C)(C)CC[C@@]1(N)CCCCCC1(C)C	719194750	SKSJPIWJUKWFOV-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC1(CNC2CC2)CCCCCC1	723072073	RHMNBRVKLNYVBN-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CNc1cc(CC2CCCCC2)ccc1C(C)C	725419722	SAZGUWGLGYJCPP-UHFFFAOYSA-N	245.410	4.975	0	10	BJAE	
CC(C)=CCC[C@H](C)NC1C[C@@H](C)C[C@H](C)C1	1205890916	YIFUHSXEHJOQJL-KKUMJFAQSA-N	237.431	4.536	0	10	BJAE	
Cc1ccc(SCC2CCCCC2)s1	1644009146	DTPZUDCVJNYXTA-UHFFFAOYSA-N	226.410	4.729	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CCC[C@H](C)[C@@H]1C	1652308592	BQPJABXUJJELBX-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCN(C[C@@H](C)CC(C)(C)C)CC1	1653361004	YHOLVAZTZBVFSD-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H](C)CS[C@@H](C)c1ccccc1C	1656373634	ATRGXFPMMGFQSW-YPMHNXCESA-N	222.397	4.835	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(C)=CCCNC(C)C	1876996616	UAUKORZXWYFLNY-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CC=CCCNC(C)(C)C	1880414595	PAKGYSABQPWSAM-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
C=CC=CCCCc1ccc(F)c(C)c1Cl	1901206588	NSXFCEPBOOILHY-UHFFFAOYSA-N	238.733	4.852	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@H](C)[C@H](C)C(C)C	1901681897	IYZREVOQIBTGII-VXGBXAGGSA-N	240.774	4.708	0	10	BJAE	
CCC(C)(C)CC[C@H](N)CCCCC1CC1	1902155615	LNZCOMREHAJWEP-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCCC(=O)CC[C@H]1CC[C@@H]1C(C)(C)C	1902739961	QQKQSEKZJGZSBR-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1CCCCCC1	1905455221	YNSDDJXRXOHOQD-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(Cl)s1	1911834832	QESGQQBSXAQEPO-VIFPVBQESA-N	214.761	4.861	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC2(C)CCCCC2)[C@@H](C)C1	1916096624	RJQFTQKACKTKDM-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(CNC2CC2)C=CCCC1	1916614151	AJIATAWZJQVHDT-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)CCC[C@@H]1CC1(C)C	1919976624	WTQGTUPSFPPHAW-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@@](C)(N)c1ccccc1C(C)C	1920184262	CMCIPDUHJQPSJL-QGZVFWFLSA-N	247.426	4.954	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)c1cc(C)c(C)cc1C	1920206866	NNNBAMBICHOYRO-PXAZEXFGSA-N	247.426	4.612	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C1CC(CC)C1	1921256900	JCHZBAFZHGIVLC-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NC[C@H]1C=CCCCC1)C1CCCC1	1925813816	DOLSOUACIYRZDY-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@@H]1C=CCCCC1	1925909094	AHZMIQNTQRIEJQ-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CCC(CC)CC(=O)c1ccc(C2CCC2)cc1	1926145512	QJEDHGJEHRINJP-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCC(CC)C[C@H](N)CC1(C)CCCCC1	1926388230	VJROJUKABPDFNU-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
C=CC=CCC[C@@H]1CCC2(CCCC2)C1	1934209212	KCFZROBTMPQERT-CQSZACIVSA-N	204.357	4.869	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2(C)CCCCC2)C1	1940406117	KMCHSPVTUOFYQT-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC1(C[C@H](N)CC2CCCCC2)CCCCC1	1940406252	LINZAHYNTIOYMC-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CC2(C)CCCCC2)C1	1940409140	NTFNUKWNFBDCIM-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](O)C(C)(C)C(C)(C)C	1940880596	BHDZGINAGXFEQK-CHWSQXEVSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)CCCC1(C)CC1	1940880774	BYBIIGBNGBETOJ-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CO)CC=CC[C@@H]1C	1940957109	PXXSZUWLUSKVSQ-HRCADAONSA-N	238.415	4.558	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)C1CCC(N)CC1	1940978200	XJNBGFBLAZCFCV-WXLSXGNJSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H](C(=O)C[C@H]1CC=CCC1)C(C)C	1941270997	AKOATVVVFLTOGD-LSDHHAIUSA-N	236.399	4.620	0	10	BJAE	
CC[C@H]1CC[C@](CN)(CCCCCC2CC2)C1	1941580810	DLWLSAQQKPOCBF-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NCCCCCC1CC1	1941594929	GQEJPZKMTVVTCK-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C[C@@H](C)C1CC1	1944497833	POQWABLGMWTBJV-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1CCC[C@@H]1C)C(C)C	1944843235	QDXXXNLOVDFRGX-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@@H](C)CC(C)C)C1CCC1	1948326231	IGMRKFBFEIOBRQ-LZWOXQAQSA-N	239.447	4.616	0	10	BJAE	
CCC[C@](N)(CCCC1(C)CC1)[C@H]1CC1(C)C	1949053836	HZYXYLCTPLFEIB-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@@H]1CCC(C)(C)C	1949113191	VXDVVXKOAGKTBZ-QWHCGFSZSA-N	231.383	4.658	0	10	BJAE	
CCCCC[C@@](C)(O)[C@@H]1CCC2(CCCC2)C1	1949450631	FHCGARIGHBOREM-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
Cc1ccsc1C(=O)[C@H]1CCC2(CCCC2)C1	1949499067	ZJEZJNYRFSMQNB-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCCCCC[C@@H]1CCC(C)(C)[C@H](NCC)C1	1949660245	HPNRRQRGJPEDNN-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC(C[C@H](O)CCCCCC2CC2)C1	1949742936	UREHXMSTQWWVET-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2CCCCC2)CC1	1950929457	HFNJPIAIADZDLS-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CCC[C@@H](C)CCC1CCC(N)CC1	1951643665	MINAMCSIQVAJFB-QQFBHYJXSA-N	237.431	4.667	0	10	BJAE	
CCC1(CC)CC(NC2CCCCCCC2)C1	1963182229	JXCZYMNSADHONR-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
CCCC1CCC(N(C)C[C@@H]2C=CCCC2)CC1	1966319444	SJTGJOZRKPANQC-AQFXKWCLSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2CCCC3(CCCC3)C2)C1	1967855856	OAQYRHIYRYJHDH-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccccc1	1969296686	ZOWUNQPLHQWAKV-MUIFIZLQSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](C)N(C)Cc1ccc(C(C)C)cc1	1971404337	CHJXFPIUUHGIDC-HNNXBMFYSA-N	247.426	4.821	0	10	BJAE	
CCC1(C)CCC(O)(CCC(C)(C)C)CC1	1981065986	PNAYNROTYKNYLA-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CC1(C)CCCC[C@H]1c1nc(C2CC2)cs1	1981849391	FYKAQWZSYHQEEZ-NSHDSACASA-N	235.396	4.704	0	10	BJAE	
C1CC(C2CC(CC3CC(=C4CC4)C3)C2)C1	1985533731	ZSTRQEAIABGRAC-UHFFFAOYSA-N	216.368	4.703	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC=C(C)C)CC1	1989780766	YZWRXAFIEYAQIR-HDJSIYSDSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1cc(C)c(C)s1	1989984365	NSGURKXNXGQWLM-GXTWGEPZSA-N	240.412	4.615	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(Cl)cn1	1990048326	FENWPZZPRDDTMP-GFCCVEGCSA-N	240.778	4.506	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1C=CCCCC1	1990968398	IZUMSBLKMSCHQC-LBPRGKRZSA-N	235.758	4.559	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2CC[C@@H](C)C2)n1	1995460670	BLGWBXGDPGRTID-QJPTWQEYSA-N	237.412	4.635	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)CCCC(C)(C)CC2)C1	1996266713	CWNDPHDFYMNCNA-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@H](C)C(C)(C)C)C1	2000169085	NPOYNWTZFNEVLL-UBHSHLNASA-N	236.399	4.620	0	10	BJAE	
CN[C@@H]([C@@H](C)CC(C)C)C1(C)CCCCCC1	2000318897	GEZFGDZDTSZBGV-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C(CC)(CC)CC	2000390819	RHCZAKDDNSUTHH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](CC)(CCC1CC1)CNC1CC1	2000505991	WZFNFUMPEFSQHP-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC1(CNc2cccc3ccsc23)CC=CC1	2001691364	MIXRLFIDFNAEHR-UHFFFAOYSA-N	243.375	4.670	0	10	BJAE	
CC(C)c1ccc(NCC2(C)CC=CC2)cc1	2001694483	QZWOXFZRCWJJJG-UHFFFAOYSA-N	229.367	4.578	0	10	BJAE	
CCC1(CC(=O)[C@H]2CCCC(C)(C)C2)CCC1	2002994402	TUXFJDHISLEYOL-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](c1ccsc1)[C@]1(C)C=CCCC1	2003320667	IXEMFJBTSOAYCG-LSDHHAIUSA-N	249.423	4.535	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCC1CCCCC1	2004226493	IBFPCOLDUAMPEH-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(N)CCC(CC)(CC)CC1	2004337382	QQUJIFLMYHNHHR-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CC1CC(C[C@@H](N)C2(C)CCCCCCC2)C1	2004921791	AACPYCNPXCWQCP-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CCC[C@@H]2C)CC1	2006717186	HTNXGJDGPTZZKP-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(C[C@]2(N)CCCC(C)(C)CC2)C1	2007747033	PEZLZQLLEBBWBB-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(N)(C=C1CCCCC1)CC(C)C	2007967448	QCKVECGNOZMBRZ-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CC=CCCCN(C)[C@@H]1CCC[C@H](CC)CC1	2009567032	LPJKCBHBYSFDLK-JKSUJKDBSA-N	237.431	4.633	0	10	BJAE	
CCCC1CC(N[C@@H]2CCCC(C)(C)CC2)C1	2009716308	REEGQQDEZFRJSK-SHARSMKWSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)C1=CC[C@H](C)CC1	2010620735	DSTUWEIHJRLHNR-DZKIICNBSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1	2011952998	YDENXFHSXXYERG-QDMKHBRRSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CC12CCC(CC1)C2	2012824044	LHLPHHGKGFRKGX-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@H](C)C(C)C	2015398426	LPBMJBVUDRQKJG-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@](CC)(C[C@@H](C)C(C)C)C(C)C	2015403085	YQIWZNWGCXBHRC-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CCCC1([C@H](N)CC2(C(C)C)CCC2)CCC1	2017149376	ZMQVJJAYUKCDNN-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)CCC2CCC2)CC1	2017659349	UVSXRHTYHQQZMF-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@H]2CCCCC[C@H]2N)CC1	2017720845	IILGYFZQUQJGJS-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@]1(N)C[C@H]1CC[C@H](CC)CC1	2017729730	ZQNSFINRBUSWFP-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H](C)C(C)C)CC1	2017773521	BUIGFPZNYHSLDV-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CC[C@H](C)C(=O)C2)CC1	2017775604	DRWAECSTDMZNCO-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H]2CC[C@H](C)CC2)C1	2017775618	DTYPJRCLEJKNCC-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(O)CC[C@H]2CC)CC1	2017777594	FULPZXMYOKDBHU-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CC(=O)C2(C(C)(C)C)CCC2)CC1	2018938630	QYWSOXSKERYEBF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC=C(CC)[C@]1(N)CCC[C@H](C(C)(C)C)CC1	2020908164	QJIRQXCNFQAEDC-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC(C)NC[C@@H](C)CC[C@@H]1CCCC(C)(C)C1	2024092309	QAWXQAKZEVDZSF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NC)C1CC(C)(C)C1	2026170508	QCTDMHQJQPPQRJ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C[C@]1(c2nc(C3CCCC3)cs2)CC=CCC1	2026597042	JFHVWUXIVDLWBH-HNNXBMFYSA-N	247.407	4.799	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2C[C@H]3CCC[C@H]32)cc1	2027320034	QTSNWQXGTMXGTB-DAXOMENPSA-N	243.394	4.585	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)Cc1ccccc1C(C)C	2027460811	NZHUSMNHWLRZTM-YOEHRIQHSA-N	248.410	4.540	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@@H]1CCCC2(CC2)C1	2027854453	FFYYFIKWLKISKD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(F)c1ccc(N)cc1	2027937233	XQUABCFRDFJNJZ-UHOFOFEASA-N	249.373	4.670	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC=CCC1)C(C)(C)C1CC1	2028099134	KVIXNCKYYLEOSH-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC(CCC(C)C)=C1CCC[C@H]1[C@H]1CCCCN1	2029825593	NVHXAGIFUKPDTE-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](c1ccccc1CC)C(C)(C)C(C)C	2032338762	JRHUGFBLPLGRGZ-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](N)[C@@]12CCCC[C@H]1CCC2	2032508126	BFWKDGZJIDSHJP-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(N)CC(C3CCCC3)C2)C1	2033780835	DCOBFBHPJYJNMU-JCAIJIATSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CCC([C@H](N)C[C@@H]2C=CCCC2)CC1	2035596881	APGUMQMPALOITH-RDHHWEPZSA-N	249.442	4.523	0	10	BJAE	
N[C@@]1(CCC2=CCCCC2)C[C@@H]2CCCC[C@@H]2C1	2037173444	JFTBXTOKCSMRNG-BJWYYQGGSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1[C@H]1CCC(C)(C)C1	2037693846	JORUVYKNNDSYNP-WWGRRREGSA-N	243.394	4.658	0	10	BJAE	
C[C@H](C(=O)CC1CC2(CCC2)C1)C1CCCCC1	2038080518	IAYJPBCGWCHPRZ-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H]1CCC2(CC2)C1)C1CCCCC1	2038570369	CIJOQQSGCCDRHI-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@H]2CC23CCCCC3)C1	2039059581	VPWLEBKTZIVECD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)CC12CCC(CC1)C2	2039420035	KFLHCXKLHQIALG-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
C[C@H](NC1CCCCCCC1)C1CC2(CCC2)C1	2043546231	GURYCSBERSEQDU-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CC(C)C[C@H]1CC[C@@H]1Nc1ccc(C2CC2)cc1	2043671706	CSEAZUSIMBYCLP-WBVHZDCISA-N	243.394	4.801	0	10	BJAE	
CN[C@H](C[C@@H]1CCC=CCCC1)[C@H](C)C1CCC1	2045326855	QRVBFNKKCDPTGK-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)C23CCC(CC2)C3)C1	2045392454	UZWFSQOHPJNFEL-HTUOJYHCSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)C1	2045561124	VPWIQDAYJQEMRW-GZFHQYITSA-N	248.410	4.620	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@H]1C(C)=CCC[C@@H]1C	2045806056	KEFBVCHQNZIEBO-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCC1)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047425965	AMQLFWOHHJPPDR-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC2CC2)CCC12CCC2	2047943096	OXJUHBICYIUPIY-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@@H]2[C@H]3CCC[C@H]32)cc1	2048457113	GJCBVCOTQOGHEU-VZEFYGNVSA-N	243.394	4.658	0	10	BJAE	
C[C@@H](C(=O)[C@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2049198681	RHULXUKUUOKWFQ-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC([C@@H](C)N[C@@H]2C=CCCC2)CC1	2049423581	RPWNWQONKHRFDR-RDHHWEPZSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2CCC3(CC3)C2)CC1	2049857301	SHOPGZSPFBMEQF-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC([C@@](C)(N)C[C@H]2CCCC3(CC3)C2)C1	2049863933	IARMVDQJTWSQEM-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(NCC2(C)CC(C)(C)C2)ccc1C	2050109918	GDHMLJLOSAMLFR-UHFFFAOYSA-N	245.410	4.796	0	10	BJAE	
CCN[C@H](C[C@@H](C)[C@@H](C)CC)c1ccccc1C	2050456081	MVOAVRRBRRUIPP-YSVLISHTSA-N	247.426	4.718	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@H]1CCCCC12CCC2	2053411674	LGEVLRKUYIQHII-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC[C@H]1CCCCC12CC2	2053434341	QUJWGHIJJXFHNS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C(CCC1CC1)CNC[C@@H]1CCCCC12CCC2	2053434740	WFOGBUDZYYPQDG-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H]([C@H]2CCC3(CCCC3)C2)C1	2055115083	VIVHEBHNIQYILU-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CC(C)(CN[C@H]1C=CCCC1(C)C)C1CCCC1	2055535542	JFEXZEQPUZPYAX-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1CCC[C@H]2CCCC[C@H]21	2056783426	VPSWMQNUJVJOMD-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@]1(O)CC[C@H](C)c2ccccc21	2059221621	PLYHRESNOHZMAN-YOEHRIQHSA-N	244.378	4.518	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2061084611	LEMXGYAZNYZNPL-VUBIOHBQSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)[C@@H]2CCCC2(C)C)CC1	2061085400	QSKFLYQSJCJIQN-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)CC[C@]12CCC[C@H]1C2	2061570425	CPGKBADTRZPZFI-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](CC[C@]23CCC[C@@H]2C3)NC)CCC1	2061613670	ATQQTODMXCTGSS-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)CC1CC(=C2CCC2)C1	2061727923	CXKCRWGNMRKRFJ-ZIAGYGMSSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CC1CCCCCC1)CC1CC(=C2CC2)C1	2061729973	CIPDQLRGJMPFQF-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C1CC2(CCCCC2)C1	2062629853	IDOVGGURDVFHRZ-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCC1(C)CC(CN)(CC23CCC(CC2)CC3)C1	2065330192	ZAIQMQVJZVJQNP-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)CC12CCC(CC1)C2	2065340844	ZUPOUUMBKIVHMP-MNAZLIDISA-N	249.442	4.501	0	10	BJAE	
CC[C@](O)(CCC(C)C)c1cccc(C2CC2)c1	2065995035	JLVXBPYENYEBKM-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
C[C@@H](NCC1(C2CCCC2)CC1)C1(C)CCCC1	2067518002	SZCNLGLIDPWTAZ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)C1(CC2CC2)CCC1	2069512541	CEFFRNISQJTKFT-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CNC2(CC3CCC3)CC2)CC1	2069581871	VHXLYJILBCBHON-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CCCc1ccccc1	2070391809	BHXFTMUXKWQDHN-QGZVFWFLSA-N	246.394	4.507	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1CCCC12CCC2	2070412898	GWDUFWQPCJOLKR-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CCCC1	2071186466	LPFDGXXBMWWSLT-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1(C(C)(C)C)CCC1)c1cccc(N)c1	2071945219	DPZMZNAWXZWLIX-ZDUSSCGKSA-N	245.410	4.979	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CC1CC2(C1)CC21CC1	2072227459	HDVYUCHBIXSWDS-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@@]23CCCC[C@H]2C3)CC1	2072797186	WYAWNDBNQYGWBW-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCCCC23CC3)CC1	2072802644	ZYGGQGQQSOJGBJ-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CN[C@H]1[C@H](C2=CCCCCCC2)CCCC1(C)C	2076401516	LZWIUSWLAPRKOO-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCCN(C1CCCCCC1)[C@@H]1C=CCCC1	2076553917	ZEKUKQJVRNVFIT-QGZVFWFLSA-N	249.442	4.920	0	10	BJAE	
CCCCc1ccc(C2(N)CCCCCC2)cc1	2078004260	XENOXAJYXAQBFJ-UHFFFAOYSA-N	245.410	4.537	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CNc1cccc(C2CCC2)c1	2079623727	IOMYXOXPIXCSHA-DOTOQJQBSA-N	243.394	4.658	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C2CC=CC2)CC(C)(C)C1	2082976319	PVMMFQNYENQHLO-OAHLLOKOSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)CCCC(=O)C1C2(CCC2)C12CCC2	2083556426	CXXNDBXSDZWZCR-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CCC)CC1C2(CCC2)C12CCC2	2083569102	DMNRPKRNQRYQCQ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC(=C2CCCNC23CCCCC3)C1	2083809558	VBPIBCPICMWIMH-AWEZNQCLSA-N	247.426	4.579	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC[C@@H](C(C)C)C1	2085239615	DYIFUGOORABQFO-CVEARBPZSA-N	245.410	4.794	0	10	BJAE	
Cc1cc(Cl)cc(OCCC2CCCC2)c1	2212534310	YMHBVRPMXPWCQQ-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(Cl)cc1CC	2212646040	ZSWLEQSERPNYII-NSHDSACASA-N	239.790	4.893	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CCCCC1CC1	2214565492	NJTVRNZDGLTNBR-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@H]1CC1(C)C	2215000591	ZWNIOHUQKQZFNT-GFCCVEGCSA-N	247.769	4.649	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)C(C)(C)C1CCCCC1	2215054025	WQBYUODSWQDSEJ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)[C@@]1(C)CC=C(C)CC1	2215819852	ZIFQEVATSIMMLF-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(N)CCC(C3CC3)CC2)C1	2218896357	HKYXRSIUDLUWIP-CRYBEJKASA-N	249.442	4.501	0	10	BJAE	
CC(C)NCCC(C)(C)C/C=C/c1ccccc1	2219093322	LSHANZYELNUVGY-DHZHZOJOSA-N	245.410	4.504	0	10	BJAE	
CC(C)[C@H]1CC=C(C[C@@H](N)C2CCCCC2)CC1	2220300768	GNJGREXTVVJROY-DOTOQJQBSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC(C)(CC2(N)C3CCCC2CCC3)C1	2221026188	SQNOJTUPSHRXNH-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@H](CN(C)[C@H]2CCCC(C)(C)C2)CC1	2221611508	DJBJIPNQHQQMHH-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CC1=CC[C@@](N)(C2CCC(C(C)(C)C)CC2)CC1	2221669519	YDTWLQGJAGAADZ-DQPZFDDXSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)[C@H]1CCCCC1(C)C	2221992482	FKQFBUFTTAEMIX-GDBMZVCRSA-N	246.394	4.553	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CC12CCCC2	2223132977	QOFZZJONKONHKO-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1ccc(C2CCC2)cc1	2223684118	NTKLEYLETGMBDO-RCAFFNEUSA-N	244.378	4.734	0	10	BJAE	
Cc1ccc([C@H](C)[C@H](O)C[C@H](C)CC(C)C)cc1	2223969127	UPLURTSQMAQZNL-HLLBOEOZSA-N	248.410	4.532	0	10	BJAE	
CCN[C@@H](c1ccc2occc2c1)C(CC)CC	2224128294	SJWPEGHIIXYIBG-MRXNPFEDSA-N	245.366	4.520	0	10	BJAE	
C[C@H](C[C@H](N)c1cccc2ccoc12)C(C)(C)C	2224159717	WEAUZZHXIHONOO-RISCZKNCSA-N	245.366	4.505	0	10	BJAE	
Cc1scc(C(=O)C(C)(C)C(C)(C)C)c1C	2242642910	GHMZQKIMOQPALR-UHFFFAOYSA-N	238.396	4.620	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(F)c(C)c1F	2246377227	DSUALMNYSBFSJK-NSHDSACASA-N	241.325	4.654	0	10	BJAE	
CC1CC(C)(C[C@@H]2CCCCCCC[C@H]2O)C1	2246443762	OADVEOCXMCWKNM-PWUWZPNHSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)CC[C@@H]1CCC[C@@H](C)C1)C1CC1	2246663929	NUULHQRGLPVVQU-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(=O)CCCC[C@@H]1C[C@H]1C)C(C)(C)C	2247175539	JRTHACUWJOMZSF-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)C(NCC1CCCCC1)C(C)(C)C	2247753536	AJGQVQJWXJALEM-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
Cc1cc([C@@H](N)CCC(C)C)cc2ccsc12	2248562516	CTARKUGSISOXRI-AWEZNQCLSA-N	247.407	4.646	0	10	BJAE	
CN[C@H](CC=C(C)C)CCCCC[C@H]1C[C@@H]1C	2248820158	OEUFVWHFLSNDKM-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC[C@]1(C)CCN1CC[C@@H](C)CCCC(C)C	2250466583	GKZLZMHZWRKOSE-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](O)C1CC(C)C1	2250475466	KZSCCLLOCUHLQV-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CC1CC(C)(C[C@@H]2CCCNC23CCCCC3)C1	2253684405	OPQAVGSFHZHGJA-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C(C2CC2)C2CC2)C1	2253939038	PQZJIXZMBICGSI-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC[C@@H]2CCCC23CC3)C1	2255252526	BBORYFXWODTFQR-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CC[C@H]1C1CCC1	2257316314	QLHOJJPJOCOKKS-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1C[C@@H]1C1CCC1	2257316356	QPQFAMGWFSHIHC-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CC[C@H]2CCC[C@@H]21	2257318044	AZTRYLHRCYWXEM-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CC(C)(C)c1ccccc1	2259436070	FDKRJEXJMRURIQ-ZBFHGGJFSA-N	248.410	4.542	0	10	BJAE	
CC[C@H](NC[C@@]12CCC[C@H]1CC2)C1CCCCC1	2260538804	LUSQMMGKGBENLI-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)C[C@]23CCCC[C@H]2CC3)C1	2260673317	RKERKSZBOZSYFO-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)[C@H]2C=CCCC2)C1	2261267253	JYXNDGWBRZUZGA-NRXISQOPSA-N	248.410	4.764	0	10	BJAE	
CCC(CC)CC[C@@H](N)C12CCCC1CCC2	2300685304	CYYFIHZUJJAXEB-HWOWSKLDSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCCC[C@@H]2C[C@@H]21	2302989011	TVQUBTZBFZQWKZ-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CC[C@H]1C(C)(C)C	2303376134	QFNITCQDPOTICZ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(NCC[C@@H]2CCC(C)(C)C2)c1	2304422153	GAEYLGOESXNWKH-AWEZNQCLSA-N	231.383	4.623	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1C[C@@H](C)C[C@H](C)C1	2307823888	QDVJNFCXCRSGSR-YXWQFLTLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)CC(O)(C1CCC1)C1CCC1	2307846387	UHHBKISNIZIAAL-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](CCC)CC[C@@H]1O	2307906161	CKBWFKCCJYRRTQ-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)C(C)(C)C(C)C	2307906872	JDLRKLISFXVEIY-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@@H]1C[C@H]1C1CCCC1	2311607473	OZNNWQWZTBZJKX-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313182390	FYEIATGONDVVPG-BQJWPVKWSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@@]23CCC[C@@H]2CC3)C1	2313348877	OAYCGBYKGXODLR-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CCCc1cccc([C@](C)(N)CCCC(C)C)c1	2315950794	XKUYBQCGBFSUFN-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
Cc1ccc(C(C)C)c2c3c([nH]c12)C[C@H]1CC[C@@H]31	2316224212	CQXAUYYSZWUKIT-DGCLKSJQSA-N	239.362	4.649	0	10	BJAE	
N[C@]1(CC2CCCCCC2)CCCC[C@H]1C1CC1	2316881220	OACSILGWOHQJAJ-IRXDYDNUSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H]1CC[C@H](C)C[C@H]1CCCC1=CCCCC1	2318573856	WZLLIWINSSJNPR-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)CCC1CCCC1	2318575600	HARIHVZKPZLWJF-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
C[C@H]([C@H]1CC1(C)C)N(C)CCCC1=CCCCC1	2318595535	QNWHCSQDTUUIGB-GDBMZVCRSA-N	249.442	4.633	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H]2CCC(C)(C)C2)cc1C	2319023834	ISURSYVOEXKARP-ZBFHGGJFSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)[C@@H]2CC23CCCCC3)C1	2319112945	JMJYDVSGUQOJQX-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@@H](N)CC[C@@H]2CCC(C)(C)C2)c1	2319317213	JHJQTTCOYQYDLY-ZBFHGGJFSA-N	245.410	4.601	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1CC[C@@H]1C1CC1)NCC	2319541178	GAOREYRZKOPUAU-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCC1(C(=O)CC[C@@H]2CC[C@H]2C2CC2)CCCC1	2319692630	KGBGFQDKVZVOLB-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@H]1CC[C@H]1C(C)(C)C	2320211124	KOVCTGWWVGGCPW-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H]1C(C)(C)C)c1ccccc1	2320296008	JSBBYAOUTVSXGH-HRCADAONSA-N	245.410	4.552	0	10	BJAE	
CCCNC[C@@H]1CC[C@H]1C[C@H]1CCC(C)=C(C)C1	2320390690	MEQOMXFMNOVWBO-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H](C)[C@@H](C)C(C)C)c1	2320570588	OLLQTRXUXDERQC-UONOGXRCSA-N	246.394	4.921	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1cc(C)ccc1C(C)C	2327676714	YZGIFQZMWAIGLH-MRXNPFEDSA-N	247.426	4.945	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)CC[C@H]2C[C@H]2C)c1	2327787354	UWQVCROQAXNXQG-JKIFEVAISA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](C)Nc1ccccc1Oc1ccccc1	20557361	GCGHIPLZQQEGOV-CYBMUJFWSA-N	241.334	4.689	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cccc(C)c1	21012695	YVNPFVYXCAQJDV-JSGCOSHPSA-N	219.372	4.622	0	10	BJAE	
Cc1ccc(C)c([C@H](C)Nc2ccc(F)cc2)c1	21818434	UNTCYDMTESBYSS-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CC[C@@H](C)N[C@@H]1CCCC[C@@H]1C1CCCCC1	34994236	NODQCFMNQFPRGM-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@@H](C)CC)cc1	35469137	HPPSOBGKKNWCLV-HEHGZKQESA-N	233.399	4.507	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCCC[C@@H]1C	36974283	INLHMFJFKVJDDB-DZGCQCFKSA-N	231.383	4.630	0	10	BJAE	
Cc1cccc([C@@H](C)Nc2ccc(C)cc2F)c1	37244005	GNQUUBFBBSOVRS-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1ccc2ccccc2c1	54440905	XRRTYEVATHHZBO-CXAGYDPISA-N	241.378	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Nc1ccc(Cl)c(Cl)c1	83389674	HGGFKMLOUSBXBL-PELKAZGASA-N	244.165	4.594	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCCC(C)(C)C1	83783652	ZNPGNLKANBQLJJ-HNNXBMFYSA-N	245.410	4.938	0	10	BJAE	
CCC1CCC([C@@]2(N)CCC[C@@H](C3CC3)C2)CC1	85078625	AGURWXBWFOEXLE-AGZZZRPFSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCCC[C@H]1C	85388144	REKBSWUFWLPGGT-ZWNOBZJWSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@H](NC(C)C)c1ccc(Cl)cc1	86322623	BZYRWSFYAXCYMX-AWEZNQCLSA-N	239.790	4.569	0	10	BJAE	
CCC[C@H]1CCC[C@H](Nc2cccc(O)c2)CC1	86923461	LDGFXQFJWXJAOP-KBPBESRZSA-N	247.382	4.553	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1CC[C@H](CC)C1	88014035	RNBJEEHNFFLUNQ-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CC(C)/C(=C\C1CCCCC1)CNC(C)(C)C	92728102	XEQWISRFBMGPOV-PTNGSMBKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](Cc1ccc(C(C)C)cc1)NCC	93073742	VFFDPVNYIRYBHW-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
CCCC[C@](CC)(CO)CCCc1ccccc1	97149830	VJBVQRCVIQTDPF-KRWDZBQOSA-N	248.410	4.588	0	10	BJAE	
CCCCCC[C@H](N)c1csc2ccccc12	97468033	HGHCIIPLPWWUTO-AWEZNQCLSA-N	247.407	4.872	0	10	BJAE	
CCCCC[C@H](O)c1c(C)c(C)cc(C)c1C	104049960	WXDQXXRKWYKYDK-HNNXBMFYSA-N	234.383	4.534	0	10	BJAE	
CC(C)c1ccc([C@H](C)NCC(C)(C)C)cc1	109851120	AZADDISFCUJBSD-ZDUSSCGKSA-N	233.399	4.507	0	10	BJAE	
CC[C@H](C)[C@H](C)NC1CCC(C(C)(C)C)CC1	109927940	RQCQPTVZNJGOLK-HESLUPGFSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCC[C@@H](N)CCC1CCCCC1	133468239	YISYNFJRQLCSDF-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCCCC(CCCCC)NOC(C)(C)C	148653437	HKTNCLLXOBQOCV-UHFFFAOYSA-N	243.435	4.835	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)c1ccc(C)cc1C	162226304	LZMFFRSECQEVRN-CXAGYDPISA-N	247.426	4.780	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@@H]1CCCc2ccccc21	164357522	KUPXHVGIHCASRP-ZFWWWQNUSA-N	244.378	4.502	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1CCC[C@@H](CC)C1	166305277	RVZNCWBFVSQCSL-UKRRQHHQSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](C)c1ccc(Cl)c(Cl)c1	197063351	VXHOYXRMOOUWNP-SSDOTTSWSA-N	203.112	4.507	0	10	BJAE	
CC(C)c1ccc(C(F)(F)F)cc1C(C)C	202536173	FRCTYQUPANLABW-UHFFFAOYSA-N	230.273	4.952	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H]1CCC[C@@H](C)C1	217993377	INKHJVSVPQZEKL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@@H](C)[C@@H](C)C1	220648443	DXBYBNSVDXBBBD-IVMMDQJWSA-N	245.410	4.794	0	10	BJAE	
Cc1ccccc1[C@@H](C)Nc1c(C)cccc1F	224938633	SBEVSVOKRAQYNT-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCCc1ccc([C@@H](C)NCC=C(C)C)cc1	228845353	VJUUGWQTYQDRKV-OAHLLOKOSA-N	245.410	4.646	0	10	BJAE	
Cc1ccc(N[C@H]2CCC23CCCCC3)c(F)c1	230163035	VQZGFMONAJBCFD-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CCC(CC)Oc1ccc([C@H](C)CC)cc1	232358132	RQINLRFCQCOQQU-GFCCVEGCSA-N	220.356	4.768	0	10	BJAE	
CCC[C@H](CC)Nc1cc(Cl)ccc1Cl	233348214	SZICWTYFCNOGFD-JTQLQIEISA-N	246.181	4.984	0	10	BJAE	
CCc1ccsc1[C@@H](N)C1=CCCCCCC1	234148509	SKEXMSVILNNEAK-AWEZNQCLSA-N	249.423	4.591	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCCC[C@H]1C	251314245	JFMZVALJBHDMKS-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
CC(C)c1cnc(Cl)c2cccc(Cl)c12	257951199	COAIBRMOEMCPAX-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
O[C@H](CCC1CCCC1)c1ccccc1C1CC1	302263923	PILZWNSQJRPTDK-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1ccc2ccccc2c1	302320114	JOAGHAMEDGAAJS-SUMWQHHRSA-N	242.362	4.555	0	10	BJAE	
C[C@@H](CC(=O)CCC1CCCCC1)C(C)(C)C	304125637	JFSUAFLXGKPMBU-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)[C@@H](C)C(C)C	305924629	NABCYWGWIHFNBH-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
Cc1nc(C(C)(C)C)sc1-c1ccccc1F	306040334	NCZUBJZPRFETNE-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CCN[C@H](c1cc(C)c(C)o1)C1CCCCCC1	306065105	YJVPNUOVYLQSQB-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
Cc1cc(C(F)F)c2cc(Cl)sc2c1	306933160	FRLIVYFUOHHZJC-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CSc1cc(Cl)c2sccc2c1S	307066855	WJFCVCUWNZSDAG-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1csc2c(Cl)c(Cl)ccc12	307293059	LSFSYCNKZKQJSL-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
Cc1[nH]c2c(C)ccc(C)c2c1CC(C)(C)C	310284328	ZKUCXWRNJMFUBP-UHFFFAOYSA-N	229.367	4.682	0	10	BJAE	
CCc1ccc(C(=O)C(C)(C)C(C)(C)C)cc1	310519897	WITNQBNNTSAZJJ-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CCc1ccc([C@@H](C[C@H](C)CC(C)C)NC)cc1	310576159	BGOJDUYCLZGUGF-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
Cc1ccc2ccn(C[C@H]3CCC[C@H](C)C3)c2c1	310819555	BJYPLTNSVQUNMW-ZFWWWQNUSA-N	241.378	4.776	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](C)C(=O)c2ccccc2)C1	310936215	GBULQDCLFWOPPX-RBSFLKMASA-N	244.378	4.722	0	10	BJAE	
CN[C@@H](CC1CCC(C)(C)CC1)c1ccccc1	311058511	YNTPWVHAEGJNQC-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CC[C@H](N[C@H]1CCCC12CCCCC2)C(C)C	313111321	MEGQRDKYVLTWQR-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(CNC3CC3)CCCC2)C1	317551812	JDTZHKPQJNLHTG-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@]1(CNCCC)CCC[C@@H](CC)C1	319275238	LXJDIVHIYYEEJQ-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CCCC1CCC(C(=O)[C@H](C)[C@@H](C)CC)CC1	319904142	XQXNVIWOGADCIF-ZUJMUWTESA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CCCCF)C[C@@H](C)CC(C)(C)C	380011764	KYCANUJDIKJZTG-KGLIPLIRSA-N	245.426	4.567	0	10	BJAE	
O=Cc1ccc(C2=CCCCCC2)c(Cl)c1	380620612	AYJQNCUBNISUSL-UHFFFAOYSA-N	234.726	4.500	0	10	BJAE	
Cc1sccc1[C@H](O)CCCCCC(C)C	383093677	CPVDLYQHABCIKQ-CQSZACIVSA-N	240.412	4.696	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@H]1CCC[C@H](C)C1	383621464	VHBFAALANTVFCI-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCC1(C(=O)C[C@H]2CCC[C@H](C)C2)CCCC1	383760490	DRGDVPGPMLJDOW-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H]1CCCC[C@H]1C	384499922	CAUOGBCORQGORI-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H]1c1nc(-c2ccccc2)cs1	385093885	YLJJJGSRSNBRFD-WCQYABFASA-N	243.375	4.714	0	10	BJAE	
CC[C@@H](Nc1ccc(F)cc1)c1cccc(C)c1	385176660	ZTPAPUBUBXQYOE-MRXNPFEDSA-N	243.325	4.697	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1Nc1ccc2ccccc2c1	385424390	BZZHYFUIFPZWSZ-RDJZCZTQSA-N	239.362	4.686	0	10	BJAE	
CCCN[C@@H](c1cocc1C)C1(C)CCCCC1	385429523	DPHBPKPIHHQMIR-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CC23CCCCC3)CC1	387243508	JMXPXWAFXHTITJ-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cscc2C)c(C)c1	387326609	NUUMVLZSHKIKHV-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CCCC1(CNC(C2CCC2)C2CCC2)CCC1	391785756	SKTHUVLNYYFKKR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)CCNc1cc(Cl)cc(Cl)c1	394396258	GHBUWWNFHKOZQU-SECBINFHSA-N	246.181	4.842	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C1=CCCCCCC1	395124703	NIOLDFHMZRORDG-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C1C[C@@H](C)C[C@H](C)C1	395133421	SSVWDSJKPJLREC-KCQAQPDRSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](Nc1cc(C)ccc1C)[C@@H]1CC1(C)C	397574812	FXZUJYQCSQHRSH-KBPBESRZSA-N	231.383	4.540	0	10	BJAE	
CCC[C@H](Nc1ccc(C)cc1C)[C@@H]1CC1(C)C	397581517	FXSKZLBCLIGTDL-HOCLYGCPSA-N	245.410	4.930	0	10	BJAE	
CCCCC[C@H](NCC)c1csc(C)c1C	399831164	OEUKFCSLBSGKPC-AWEZNQCLSA-N	239.428	4.596	0	10	BJAE	
CCCN[C@H](CCCC1CC1)c1ccccc1C	405859391	PDLWOZRCVWGFNB-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
C[C@H](CC1CCCC1)NCCCC1CCCC1	689805045	FWXBPNLOLCETDL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1cc(C)cc(F)c1	691137140	JUWOLSHDBAPXNU-CJNGLKHVSA-N	249.373	4.905	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CC(C)(C)CC	696659697	OSFXUCHVGYMEMA-ZIAGYGMSSA-N	228.420	4.780	0	10	BJAE	
CCCCC[C@@H](CNCC)C1CCCCCC1	696817456	NVLURVNTWLGYJY-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC(C)=CCC[C@@H]1CCCCC[C@H]1CNC1CC1	697773479	GOESWWUHTVEVNT-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)[C@](C)(O)c1cc2ccccc2s1	700942878	MGCUSEYNBWFRCT-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1ccc(C(C)C)cc1	701154272	NDRUNZKAQGBKEX-HNNXBMFYSA-N	233.399	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CCCC1CCC1)CNC1CC1	701575605	CCOKYSZKKYMTBI-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@H]1CCCC[C@H]1C	704843948	IZPTZMXIRUPDGO-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@H](C1CCC1)C1CC1)C1CCCCC1	705355859	QTCMSOXQTLUYMM-DLBZAZTESA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)[C@@]12CCCC[C@H]1C2	709129263	MNAVMUWNCPFIBT-WWGRRREGSA-N	247.357	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1cccc(F)c1C	709236105	XWBNMWVNPHHXOJ-BBRMVZONSA-N	249.373	4.905	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1cccc(C2CCC2)c1	709237148	QWPKDMYOMOCMPN-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	710206008	QADWSFIPYOJZRB-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C[C@H](O)C1CCC(C)CC1)C(C)(C)C	711176242	DKOXXBPCTJKBIX-WUCCLRPBSA-N	240.431	4.636	0	10	BJAE	
CNc1cccc(C(=O)CCCCCC(C)C)c1	711936387	HOYYSRONHQZJDD-UHFFFAOYSA-N	247.382	4.518	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)CC1CCCCCC1	713218043	MZDHFDOFBJIOGK-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CC(C)=C(C)CCc1cc(C(C)C)ccc1O	718577302	XDXVOYQAWCYDEW-UHFFFAOYSA-N	232.367	4.805	0	10	BJAE	
CC[C@@H](CC1CCCCC1)Nc1cncc(C)c1	720982936	CMVKTHFXXVBDRK-HNNXBMFYSA-N	246.398	4.551	0	10	BJAE	
CC1(C[C@H](CO)C2CCCCCC2)CCCC1	829251430	JBFVQSMGMMXMNG-OAHLLOKOSA-N	238.415	4.536	0	10	BJAE	
CC(C)[C@H](C)S[C@@H](C)c1cccs1	1307306799	DAYRHAGYECQVSB-UWVGGRQHSA-N	214.399	4.587	0	10	BJAE	
CCCCCC[C@@H](C)NCC1(CC2CC2)CC1	1308920400	MQEAXSANODEQGO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	1474201003	LOCKJGRLRWQUEJ-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)NC[C@@H]1CCC=CCCC1	1665881592	ZVTCUJOLKPGGQA-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CC[C@H](NC)c1ccc(C)s1	1900698170	SUDDVXKKAAUZSQ-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)CCC1CCCC1	1905444245	LGYRSCQMWDQYLJ-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCC[C@@H]2C[C@@H]2C)C1	1908595413	LRICCTCWUAYIRZ-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CNCCC)C[C@@H]1C[C@H]1C	1909231064	ITMWVRIKAZUTDC-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(C)c(C)c1	1911808871	WIZYGVWEJNNALI-CYBMUJFWSA-N	202.341	4.763	0	10	BJAE	
CC=C[C@H](NCCC)C1CCC(CCC)CC1	1912011773	ZFWRYHWCUWGVMB-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCCC=CCNc1cccc(C2(C)CC2)c1	1914675857	NRFLEZLLWOURPW-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
CCCC=CCN[C@@H]1CCCC[C@H]1C(C)(C)C	1914680878	XLYHASAKYSJSAY-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]1CN[C@H]1CCC2(CCCC2)C1	1916400111	MWJODHGZOXDMFQ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC(C)C)C=CCCC1	1916579612	PJZQAJDHUVFGTA-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H](C)CCC	1919965499	YBOFHRALOOKOSY-UONOGXRCSA-N	214.393	4.534	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@H](C)C1CCCC1	1924108967	UNKBOWLFPHXLFX-NVXWUHKLSA-N	249.442	4.703	0	10	BJAE	
CCC(CC)CCNCC(C)(C)C1CCCC1	1926152967	PKQJZACHVONIQY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1ccsc1Cl	1933835618	QWVCZVFFTIDLEB-NSHDSACASA-N	243.803	4.538	0	10	BJAE	
C[C@@H]1CC[C@@H](Oc2cc(Cl)ccc2Cl)C1	1934210620	XJESVMIMJZAZRX-PSASIEDQSA-N	245.149	4.561	0	10	BJAE	
CC1(CC(=O)[C@H]2C[C@H]2C(C)(C)C)CCCCC1	1940379951	PPNZVXCDTQDRJT-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CCNC(C)(C)C)CC1(C)CCCCC1	1940409658	OYHFGVBUGIGLPO-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1CC1(C)CCCCC1	1940417820	YIYMTPCAJKWMRV-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C(=O)C[C@H]1CCC[C@@H](C)C1)C(C)C	1941265608	XEYSVSRKJREXPB-ILXRZTDVSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](C(=O)CCC1=CCCCC1)C(C)C	1941267370	QUNQWMCANYQXDO-OAHLLOKOSA-N	236.399	4.908	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@H](O)CCCC(C)(C)C)C1	1943016404	JIJWNUDPJJJVGK-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
Cc1sccc1C(=O)[C@@]12CCCC[C@H]1CCC2	1944219445	CDJVAVLDUMVGHW-SWLSCSKDSA-N	248.391	4.600	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C(C)(C)C(C)C	1944669276	XVVQDJBNQPXZAW-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@@H]1CCC[C@@H]1C	1944850584	VXGXZBYHYVFVKK-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCC1(NC[C@H]2CCCC[C@H]2CC)CCC1	1945277432	UCTYVYBLLHPZAX-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(CCNCC2(C)CCCC2)CCCCC1	1945419676	JCXCCSWSZSLWFG-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CC[C@H](C)[C@@H]1C(C)C	1947509774	IXOHWAMEAGFRNW-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
CC1(c2ccc(C[C@H]3C=CCCC3)cc2)CC1	1947566275	WDNLUCNQIODTGN-AWEZNQCLSA-N	226.363	4.637	0	10	BJAE	
CCC(F)(F)CC[C@@H](O)CC1CCCCCC1	1947885858	XOKKUGJFRANGTQ-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@H](CCCC(F)(F)CC)NCCC	1948435156	JKIZPHNIPDPLBD-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)[C@@H](C)C1CCCCC1	1948982716	XSVOOMFNKCPRDP-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@@H]1CC[C@H](C)C1	1949531479	PUOLLZHPSVSQLV-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CC2CCCC2)CC1	1950922672	PJUKUKZDPONTAY-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@]1([C@H](C)CC)CCCC(C)(C)CC1	1950924445	YRGQYJACTWSBPF-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC=CC[C@@H](C)c1ccc(OCCC)cc1C	1951308828	OTZIBJKBIIRWME-CYBMUJFWSA-N	232.367	4.854	0	10	BJAE	
C[C@H]1CCC[C@@H](CCN2CCCC23CCCC3)C1	1963124325	WVQUXSDSAMYSSZ-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(OCC[C@H]2CCC[C@H](C)C2)cc1C	1968307020	CGCZGELNHNDMHZ-XJKSGUPXSA-N	246.394	4.899	0	10	BJAE	
CC(C)CN(Cc1ccc(C(C)C)cc1)C(C)C	1968829730	DBHPWSRQFRNQOJ-UHFFFAOYSA-N	247.426	4.676	0	10	BJAE	
CCCCC1CC(NCC(CC)(CC)CC)C1	1971662719	QXIAFMGSIARVBB-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)[C@@H](C)CC(=O)c1ccccc1Cl	1980684570	IIHPBBDAXXZIAD-MNOVXSKESA-N	238.758	4.595	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1c(C)cccc1Cl	1989819234	QEDPIUPVMVLXLI-LLVKDONJSA-N	239.790	4.885	0	10	BJAE	
CCc1coc2c(C)cc(C(C)(C)C)cc12	1995453053	NXZRHZLMSITCOF-UHFFFAOYSA-N	216.324	4.601	0	10	BJAE	
C[C@@H](N(C)C1CCCCC1)C1(C)CCCCC1	1995968860	AKNLXCAEXURPBK-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@@H](C)Nc1ccccc1SC1CC1	1996548089	JCLMUQNNQMOJFH-GFCCVEGCSA-N	249.423	4.932	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@H](C)C(C)(C)C)NCC	1996609820	AQNIMJOKOBDHTN-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CC=CCC1)C1CCCCC1	1997603782	IAGCZGFSEZCBJA-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](NCCC)C1CC(C(C)(C)C)C1	1998236301	HGDFMYLQBUWNPO-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)C1CCCCCC1	2000320391	ABNBYWVMFYLBBL-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)[C@@H]1C=CCCC1	2000523717	RNRDZPRHUMAGFF-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC1(CNC2CCC2)CCCCC1	2000658153	QWPLIMNPRALBNM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](C)(O)C1CCC(C(C)C)CC1	2002925306	NFTBFZDPJISHLW-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](NC1CCCCCCCC1)C1CCC1	2003102946	ZPEKDRQOCBPACW-INIZCTEOSA-N	237.431	4.658	0	10	BJAE	
CCC1CC(C2(N)CCC(CC)(CC)CC2)C1	2004347187	RKPZYXSIZWQKPI-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)C2(C)CCCCCCC2)C1	2004943617	DVJJRPLCDARINC-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCCCC12CC2	2005543871	AIMNJYCSDPEQIJ-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@@H](NC)[C@@H]1C	2006987308	XSXGFRAGIZDFHL-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
C/C=C/C[C@@]1(CNCCC)CCC[C@H](CC)C1	2008058534	AIYALHXJJRZPCQ-YOSLTCIPSA-N	237.431	4.539	0	10	BJAE	
CC=CCCCN[C@@H]1CCC[C@H](C(C)C)CC1	2009591311	HXYKRULSRROUFX-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H](CC(C)C)C(C)C	2009616386	IOPQTLYSUWXCKA-CVEARBPZSA-N	239.447	4.639	0	10	BJAE	
CCN[C@H](CC1=CC[C@@H](CC)CC1)CC(C)C	2010768810	LPHMAWVYDUOHPB-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
Clc1ccccc1NCC1CC(=C2CCC2)C1	2011085209	MTPLKDWPSPMPTL-UHFFFAOYSA-N	247.769	4.642	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)C1CC2(CC2)C1	2012412488	OQRJYOUFSZAKEO-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1CCCCC1(C)C	2013263021	FBUYDGPMDJJSPN-GJZGRUSLSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@](C)(CN)CCC(C(C)C)C(C)C	2015345905	XWZNRTNEYWVKNP-INIZCTEOSA-N	241.463	4.850	0	10	BJAE	
CC(C)C[C@H](CNC(C)(C)C)C[C@H](C)C(C)C	2015399574	OFTXCLWBWZNFDB-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C[C@]1(C)C[C@H]1C	2016389248	BHNIPTNYSUSUIP-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)CC1(C(C)(C)C)CCC1	2017129511	PKPHZMUAJNMEPN-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C1(C(=O)CCC2CCCC2)CCC1	2017132916	KZJOAUNLVYQIAA-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)[C@H](C)NCC1(C(C)(C)C)CCC1	2017143324	MQBQOXSQZPWEQR-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CCNCC1(C(C)(C)C)CCC1	2017146479	SWECPODQIKFGEE-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2C=CCC2)CC1	2017655000	JAZMSFHOMUGIKZ-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@H]1CC[C@H](C)CC1	2017723823	VODQTEWVHUZTFI-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)NCC1(F)CCCCC1	2018129554	DDMOKOQRFWWHNH-CQSZACIVSA-N	243.410	4.607	0	10	BJAE	
CCCCC[C@@](N)(CC)C1=CCCCCCC1	2018136897	PZOZYDYMFAIJIG-INIZCTEOSA-N	237.431	4.955	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@]12CCCC[C@H]1C2	2018567562	BEFVVZYHPGDWQE-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CN(CC)[C@@H]1CC[C@H](C)[C@@H](C)C1	2019123731	IYDCDCMEDTWHKW-OFQRWUPVSA-N	239.447	4.569	0	10	BJAE	
CC(C)C[C@H]1CC[C@H]1N(C)CCCC(C)(C)C	2019325906	PVCOTFRRQCSYPE-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCCCN(C)[C@H](C)CC(C)(C)C	2019339379	AUFJIEIQDWPNAV-OAHLLOKOSA-N	241.463	4.959	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)[C@@H](C)CCC(C)C	2019409049	MARPZENQDGMSCH-HOCLYGCPSA-N	239.447	4.712	0	10	BJAE	
CCN(C1CCCCCC1)[C@@H]1CCC[C@H](C)C1	2020506881	XXBMRTRKLWGIKD-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CCC[C@H](C)[C@H]1C	2022999900	XWHPHOSVJMCATD-CAOSSQGBSA-N	239.447	4.568	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)CCC(C)(C)C2)C1	2024095159	PLPYGCQGLDMFGE-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2C[C@H]3CC[C@H]2C3)n1	2026531105	JVQSFIQMYUTOKF-ZJQBRPOHSA-N	249.423	4.635	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)CCCCCC1CC1	2028626219	RCMAXQHAXNOCEA-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1NC[C@@]1(C)C=CCCC1	2030351598	LQUIEYZGDDDWSG-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
Cc1cc([C@@H](N)C(C)(C)C2CCCCC2)c(C)o1	2032341776	NVZYVCCXJSVIEV-OAHLLOKOSA-N	249.398	4.503	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	2032516172	XGRWCDJMHRGXLR-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H]2C[C@@H]3CCCC[C@@H]3C2=O)CCCCC1	2034257776	NGMWPSQGUXOLGS-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1C[C@H]2CCCC[C@H]2C1=O	2034259206	BHABGPARKNPCTB-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1c(C)coc1CC	2035531539	IZNSNJMWZVPHRT-CQSZACIVSA-N	249.398	4.547	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@H](Nc1cccc(F)c1)C2	2036669324	WTFGLWCMLZFDKU-DAXOMENPSA-N	247.357	4.597	0	10	BJAE	
CC(C)NC[C@@]1([C@@H]2CCC(C)(C)C2)C=CCCC1	2037694089	KGOURRLRCVNPOA-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCCC[C@H](CC1CCCC1)NCCC	2038112127	JAXHZPOMRHENDM-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@H]1CCC2(CC2)C1	2038584133	TXSRCWQKAYCCIZ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H]2C[C@@H](N)C23CCCCCC3)CCCCC1	2039843349	JDDXQJDFDYUGKU-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NC[C@@H]1CC12CCCC2)C1(C)CCCCC1	2039864312	ZAYJFMDIWKMLCQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@](C)(N)C23CCC(CC2)C3)CCCCC1	2039873613	XYSBBJPOUYQXRR-ARWYELJZSA-N	249.442	4.645	0	10	BJAE	
CCCCc1ccc([C@@H](O)CCC2CCC2)cc1	2042742863	NZOFITGNHPSLJW-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CC[C@@H]1CC[C@H](NC[C@H]2CCC=CCCC2)[C@@H]1C	2045333136	WJYCILSSEJCOQC-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CCCC[C@H]1CC	2045799436	MBFVYAUAGGDJBX-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCN(CCCCCC1CC1)c1ccc(C)cc1	2046567652	GCEHTRRUOONPJG-UHFFFAOYSA-N	245.410	4.792	0	10	BJAE	
CC1(C)CC([C@](C)(N)C[C@@H]2CC23CCCCC3)C1	2047058896	MKPIYVUIDQTMBV-GDBMZVCRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1CC12CCCCC2	2047059127	NQHZULWKPUGHHT-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2048470329	NOPNKICRSPAOCE-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC([C@H]2c3ccccc3NC[C@@H]2C)C1	2048633119	GMBOSZNQECLMSU-VWLISTAJSA-N	243.394	4.514	0	10	BJAE	
C[C@@H](C1CCCCC1)N(C)C[C@H]1C=CCCCC1	2049426918	GVNDBACZZBQMTD-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](C[C@@H]1CCC[C@@H](C)C1)[C@@]1(C)C=CCCC1	2049997578	OMTXXOPTBWNFMM-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(N[C@H](C)c2ccccc2)CC1	2051592841	NACBVVCELAPKHX-ODIFPOPNSA-N	245.410	4.696	0	10	BJAE	
C1CCCC(N2CCCC3(CCCC3)CC2)CC1	2051606383	KONWTJLXOUNCCS-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CC1CCC([C@H](C)N[C@H]2CCCCC23CC3)CC1	2053334032	ZJLPZRHRKNJSTJ-GRAKBVBRSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCCC1CCC1)[C@@H]1CCCCC12CCC2	2053411205	IPHKVJVELTZNMD-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(F)(F)F)c(Cl)c1C(F)F	2054891938	WXLCKXCXSRSJIO-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CCCC=C1C	2055678265	NWVYIIJRNMKMFM-SJORKVTESA-N	249.442	4.824	0	10	BJAE	
CC=C(C)[C@H](NCCC)C(C1CCC1)C1CCC1	2056776291	LEFQOMLUGPACFF-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CC[C@H]1CC1(C)C	2056873123	KOWYEHQULNKJAT-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C=C1CCCC1)C1CC(C(C)(C)C)C1	2056884185	SFKQVKHNGBYMSP-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1[C@H](C[C@H]2CCC=CCCC2)CC[C@H]1NC	2058735974	YPDXBERJRBHFHO-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N)([C@@H]2[C@H]3CCCCC[C@H]32)C1	2059491142	DPZSQKUOXPJSFR-LJEMCRLJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2061116362	PMHSUQOEBWYMLI-MIGQKNRLSA-N	249.442	4.523	0	10	BJAE	
CC=CCCCN[C@@H](C)c1ccc(C(C)C)cc1	2062371934	KPFWQFWASQCTAY-HNNXBMFYSA-N	245.410	4.817	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H](C)C1CC2(CC2)C1	2064595267	HSUAOHFFVPZWGR-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CC23CCC(CC2)CC3)CC1	2065278692	AKYUNEAQORGTBV-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
Cc1cccc2oc(C(=O)C3(C)CCCC3)cc12	2067505903	SOWRGUKTGOUPQE-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC1C[C@@H]2CC[C@H]2C1	2068704707	QZWNJWWYMKQSMX-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1NCC1C[C@H]2CC[C@@H]2C1	2068744252	MLOKOJFUSFPBOA-HUUCEWRRSA-N	243.394	4.658	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@]2(C)C=CCCC2)CCC1	2069341912	JUQYUVNXYKAOLG-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](NC)[C@]2(C)C=CCCC2)CCC1	2069341913	JUQYUVNXYKAOLG-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@@H](N)C2(CC3CC3)CCC2)CCCCC1	2069512193	ZRVCQHHOBHPTET-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C[C@@]12CCC[C@@H]1C2	2070860023	AGPUMSGDHFGQQU-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)c1ccccc1C1CCC1	2070927074	QPYGPYVINHJMQL-SJKOYZFVSA-N	242.362	4.573	0	10	BJAE	
COCc1ccc(CC[C@@H]2C=CCCCC2)cc1	2071398419	UBPGISZECHSYAW-OAHLLOKOSA-N	244.378	4.512	0	10	BJAE	
CCNC[C@]1(CC2CCC(CC)CC2)C=CCC1	2072798515	KCNNKXLHRXSYNU-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CCCOc1cccc(N[C@@H](C)C(C)(C)CC)c1	2072834172	ZSSGKQTULAYMRK-ZDUSSCGKSA-N	249.398	4.712	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)[C@H]2CCCC3(CC3)C2)C1	2073782032	QHJWINVFGLDMQR-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CC[C@]12CC[C@H](C)CC2	2074898365	CAYQULDQSAXHBT-NCOADZHNSA-N	249.442	4.610	0	10	BJAE	
O=C(CC[C@H]1C[C@H]1C1CCC1)CC1CCCCC1	2079331847	GYXWJRNKMBNVFR-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1C[C@@H]1c1ccccc1	2079551955	BJILXFIVGVPHBK-HZPDHXFCSA-N	246.394	4.512	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)CC3CCC2CC3)C1	2082980847	YNAQIXJTDPUGTA-INTUILBWSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC1C2(CCC2)C12CCC2	2083531536	MEVSPHFYWGFVOQ-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC[C@](O)(c1cccc(C(C)(C)C)c1)C(C)(C)C	2083545386	HZJNAIKUQLZSMY-KRWDZBQOSA-N	248.410	4.628	0	10	BJAE	
CCCCC(C)(C)NCC1C2(CCC2)C12CCC2	2083572392	VQVWNHSMYUCUET-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@](N)([C@H]2CCC3(CCCC3)C2)C1(C)C	2084345884	TWQZJKFPWKCVSA-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
FC1(CCNc2cccc3ccccc23)CCC1	2084758681	AMLZHYAMRRSJSZ-UHFFFAOYSA-N	243.325	4.534	0	10	BJAE	
CCCNCc1cc(C2=CCCCC2)c(C)s1	2214020459	GCRKJTOPXGFLAW-UHFFFAOYSA-N	249.423	4.514	0	10	BJAE	
CCC[C@@](N)(CC1(C)CC(C)(C)C1)C(C)(C)C	2215395457	YIUCVDVYTUBWRT-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CCCC(C)C)CC1(C)CC(C)(C)C1	2215397119	ZVEDSTHBPDPUAI-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCC[C@H](C(C)(C)C)C1	2216259125	SIAGSEQYIQPDRH-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CC[C@H]1C1CCC1	2218718787	RDLQFGYPANSCBT-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](C)NCC1(C2CC2)CC=CC1	2219246524	GAYNZRMQYUIHFQ-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@H]1CC12CCCC2	2220026017	VCBZKWQOJOSDRL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@@H]1CC[C@H]1C	2220525500	GNQJAKCNEXVOMY-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1(C)CC2(CCC2)C1)C1(C)CCC1	2221028393	PLMQIQYANKYTCW-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)CC2(C)CCCC2)CC1	2221606576	HFTWAJWXHGPRKX-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
N[C@H](C[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCCC1	2222972947	OYCWRIAUWGZREC-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCCC1CC1)C1[C@H]2CCC[C@H]12	2223158047	GXIGBTVDULKBCI-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C[C@@H]1CCCCC12CC2	2246614775	ODYXAVALKLXFPT-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2(N)CCCCCC2)C1	2246732178	JKMDZOQGCWLAFX-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CC[C@](C)(CCCC[C@@H]1C[C@H]1C)CNC(C)C	2247163819	LQFXDUURGHKOGE-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@](C)(N)CCCCC[C@H]1C[C@H]1C	2248879959	PLXMMTVCVURNNI-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
Cc1cc(NC[C@@H](C)C(C)(C)C)cc(C)c1C	2249497803	BBJZDZBXKJMGAZ-CYBMUJFWSA-N	233.399	4.706	0	10	BJAE	
CCC[C@H](CC)CNc1ccc2ncsc2c1	2250388277	XKWMWROOMATEIF-NSHDSACASA-N	248.395	4.535	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1C[C@H](C)C[C@H]1C	2250469609	QJLMRWOUWCWLPV-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@]12CCC[C@@H]1CC2	2251106217	RCIKCBXDDIBDGP-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](O)C1CC(CC(C)(C)C)C1	2251530576	AVPZETZMKQUCCF-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1CCC(C)(C)C1=O	2251708326	QLNAWZMJXQLZRR-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CCC(F)F)C(C)C	2253253036	JMJRAXRGEVQCAQ-QWHCGFSZSA-N	249.389	4.615	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2255027133	RYJUIIRBEBWVDF-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@H](N)CC2=CCCCC2)CC1	2255049110	GVNDICAMLWEWAH-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H](N)[C@H](CC2=CCCCC2)C1	2255092071	QJZPPXGFROHTGQ-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CC(C)CN(CC1=CCCCC1)C1CCCCC1	2255135053	AURONRWTBUNZHQ-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)[C@H]1C[C@@H]2CC[C@@H]2C1	2257302628	WTIFNYFQLFMIMV-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@@H](C)CC2)cc(C)c1C	2258233831	AAUHIRZHUAALGN-WBMJQRKESA-N	245.410	4.993	0	10	BJAE	
CCC[C@H](CC)CNCC[C@H](C)c1ccccc1	2259464709	RXZYSTHFMGLMLZ-HOTGVXAUSA-N	247.426	4.596	0	10	BJAE	
CC1CC2(C1)CC(CC[C@@H](N)CC1CCCC1)C2	2259572160	OUASOBKRFOUNBO-XOJNLIDHSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1C[C@@H]2CC[C@H](C1)N2	2259611997	FBSFVSQFQLJEGF-BHYGNILZSA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@]12CCC[C@@H]1CC2	2260485654	GRPSTSXXYHFICO-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@H](N)C[C@@]23CCCC[C@H]2CC3)CCC1	2260604062	NGTQJHLLEYPJFR-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@]12CCC[C@H]1CC2	2260636703	COJDAZUTUJHIOI-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@]23CCCC[C@@H]2CC3)C1	2260679212	PXRZLTWXBAPYIR-DJIMGWMZSA-N	249.442	4.645	0	10	BJAE	
CC1CC(C)(C[C@@H]2CCNc3ccc(F)cc32)C1	2261349015	RMCLWCJJJBCTHA-BGMSHATGSA-N	247.357	4.551	0	10	BJAE	
C[C@H](N[C@@H]1CC(C)(C)CCC1(C)C)c1ccco1	2261395557	POHXCJLPESEXFS-GXTWGEPZSA-N	249.398	4.535	0	10	BJAE	
CC1CC(CC[C@H](N)CC[C@@H]2CCCC23CC3)C1	2261488656	IRUIJXDNWVEKPT-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)[C@@H]1CCCC(C)(C)CC1	2298909971	CJRSQILVSOKVMI-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CCC[C@H](C)CC1	2300690832	MXYXRGKAGVZXEY-IMJJTQAJSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CCn1ccc2c(F)cccc21	2300701273	QKRSZUCGCITPOA-UHFFFAOYSA-N	233.330	4.607	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC(F)(F)CCC1=O	2300702805	YWZQSWCELDAGSI-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CCCCCC2)[C@H]1N	2301247050	MHRWRRQYNAWWKF-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@](C)(CC)CCCC1=CCCCC1	2302353552	HNIHTYNAZGSQOW-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CCCC1CCC(CC[C@H]2CCC[C@H]2N)CC1	2302664825	OYHOBOMIQCMBRA-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@@H]1CCC(C)(C)C1	2302896238	PQLHICAUGMEEKD-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC1=C(C)C[C@@H](CCC[C@H](N)C(C)(C)C)CC1	2303574946	FGLCQNDVMLKNOK-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CCC1CC(C(=O)C[C@@H]2CCC(C)=C(C)C2)C1	2303597969	WYZPVUYRKGVBHK-SHARSMKWSA-N	234.383	4.518	0	10	BJAE	
CC(C)Sc1cccc(-c2ccccc2O)c1	2307550803	IVVDWOZHUBDUIZ-UHFFFAOYSA-N	244.359	4.560	0	10	BJAE	
CCC[C@H]1CCCN(C[C@@H](CC)CCC)CC1	2307760135	DYCLOCHMUYLDNC-HOTGVXAUSA-N	239.447	4.715	0	10	BJAE	
CCC[C@@H](CC)CC1(O)C2CCCC1CCC2	2307831078	HWRHEVKJDHTFGL-JYLOXXHMSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCC[C@@H](C)CC1	2307925679	JROPNFOSVMDAJV-ILXRZTDVSA-N	238.415	4.988	0	10	BJAE	
O=C1CCCCCCCC[C@H]1[C@@H]1CC[C@@H]2C[C@@H]2C1	2309129415	FRWOMCJDVSXSAI-FPCVCCKLSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1C[C@H]1C)[C@]1(C)C=CCCC1	2310431211	MKXRPBUNNYOHFY-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC1CCC1)C[C@@H]1C[C@H]1C1CCCCCC1	2311566738	UTBXJWNKOVJJEE-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2C[C@H]2C2CCCC2)CCCC1	2311608377	HERKPCGUODLFFJ-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1C[C@H]1C1CCCCC1)C1CC1	2311610065	AHQBTCMCEBMYSO-MJEQTWJJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(C(=O)C(CC2CC2)CC2CC2)C1	2313609717	TUDNMOCRWYXSGQ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(=CCNC[C@@]12CCC[C@H]1C2)CCCC(C)C	2316488123	BDGQWYXAXJGHHY-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C)c1ccc(C)c(C[C@@H](C)CC)c1	2317099839	PXPPJLUPCPWCRN-DZGCQCFKSA-N	247.426	4.644	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C[C@@H]1[C@@H](C)[C@H]1C	2317905740	BZQJPDJAAPOREB-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)[C@@H]1CC12CCCC2	2318537723	GMWZSXJYKBIHKQ-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CCN(CCCC1=CCCCC1)[C@@H](C)C1CCC1	2318589556	RQNRELAFQCHZRL-HNNXBMFYSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C2CC3(C2)CC3(C)C)C1	2319297918	VBTCXFVLKOQXFU-POZPTJLLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@@H]1C)C[C@@H]1CCC(C)=C(C)C1	2320329797	VGSNGPBLALGSCS-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CCC[C@@H]2C[C@H]2C)CC1	2320330376	LDLYVSQFQSXCBG-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CCC1(CC)CC(N)(C[C@H]2CCC(C)=C(C)C2)C1	2320333588	ICNYPTWEEJHHAB-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)c2cccc(C)c2)CC1	2320337991	RHQQEOXSRVGNCL-NVXWUHKLSA-N	243.394	4.521	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)C2C(C)(C)C2(C)C)CC1	2320388198	NTNGEQPEDFEHHI-UONOGXRCSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2320409998	ZZFMJJARQYGOBR-ZJIFWQFVSA-N	246.394	4.518	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCC[C@H](C)[C@H]2C)c1	2321092636	CDWXDQZXTNOAGV-HWWQOWPSSA-N	249.373	4.625	0	10	BJAE	
CCC[C@@H](CC)CN1CCC[C@@H]1c1ccccc1	2328082309	AVSOKWMPHDQTCI-NVXWUHKLSA-N	245.410	4.650	0	10	BJAE	
C[C@@H]1C[C@H](NCCC2=CCCCC2)CC(C)(C)C1	20019244	QULRVXSSRLALPA-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccccc1C	20520129	ZMFBMWAPLYDVGM-CQSZACIVSA-N	219.372	4.766	0	10	BJAE	
CCc1ccc([C@@H](C)NC2CCCCCC2)cc1	20566033	XSYNEINYVYVGPB-CQSZACIVSA-N	245.410	4.622	0	10	BJAE	
Cc1cccc(NC2[C@@H](C)CCC[C@H]2C)c1C	21020311	ZHROPZIYGQEDAR-OCZCAGDBSA-N	231.383	4.540	0	10	BJAE	
CC1CCC(Nc2ccccc2C(C)C)CC1	21026307	JXEWNGOXTFIGRL-UHFFFAOYSA-N	231.383	4.801	0	10	BJAE	
CC[C@H](Nc1ccccc1C(C)(C)C)C(C)C	37278585	NKZCCQODULALOR-AWEZNQCLSA-N	233.399	4.831	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)c1ccc(Cl)cc1	50400160	XIFSYOUWZMHXGO-FZMZJTMJSA-N	239.790	4.569	0	10	BJAE	
CC(C)CC[C@H](C)NCC[C@@H]1CCC[C@@H](C)C1	70537648	VSGDLXUGIUAUKB-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CCC)CCC(C)(C)C	71127738	ASBIOHLAJYVQKN-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CC(C)c1ccc(/C=C\c2ccccc2)cc1	79474597	SYHLZZJWGVXLLZ-HJWRWDBZSA-N	222.331	4.980	0	10	BJAE	
CCc1ccc(O[C@H]2CCCC[C@@H]2CC)cc1	85150720	RKSDURLINRFRMX-HOCLYGCPSA-N	232.367	4.597	0	10	BJAE	
CC[C@H](N[C@H](CC(C)C)c1ccccc1)C1CC1	86117605	KELZXZYYCRTELR-DLBZAZTESA-N	245.410	4.552	0	10	BJAE	
CCN[C@H](CC(C)(C)C)c1cc(C)c(C)cc1C	86495569	YKHFYOVMODKDOP-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
Cc1ccc(C(=O)C2CCCCCCC2)cc1C	86578489	OXQXUQQJJNMHBJ-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@H](C)CC1	86884095	TUIWHPADPSXDLB-JJXSEGSLSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)c1cscc1C	87288781	SAQROXVJIAGKMS-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
Cc1c(C)c(Cl)c(Cl)c(Cl)c1C	96334830	QCTIBRJBUAXXEB-UHFFFAOYSA-N	223.530	4.572	0	10	BJAE	
Cc1sc(N)cc1-c1ccc(CC(C)C)cc1	105882736	GKYVLZSQSWXJPZ-UHFFFAOYSA-N	245.391	4.504	0	10	BJAE	
CC[C@H](N[C@@H](C)c1ccccc1)C1CCCCC1	109952676	YDZIIGWAMJVGMH-YOEHRIQHSA-N	245.410	4.696	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](CC)c1ccccc1	111666011	VERARLRBZNSWCW-BBRMVZONSA-N	233.399	4.552	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1CCCC[C@@H]1CC	128362054	LRMXQALYMJVECD-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@](CC)(CNC)CC(CC)CC	128410654	BYXYDCPNARFBDI-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC(C)(C)C2)c1	129240145	AZDMVACZSFDDGY-OAHLLOKOSA-N	231.383	4.801	0	10	BJAE	
CC(C)(C)C1CCC(c2cccc(N)c2)CC1	142625700	PLVDGAUQZAGNRQ-UHFFFAOYSA-N	231.383	4.589	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C2CCCCC2)C1	146219004	LIYXGDVHKLFLSF-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc(C(F)F)cc1	155830351	GBPUZGRWRWIZLS-CYBMUJFWSA-N	242.309	4.628	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCCCC[C@H]1C(C)(C)C	155858473	NAWRCYHCPXXMHS-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCc1cccc([C@H](O)C[C@@H](C)C(C)(C)C)c1	159831981	SFUDBDQACYFZIJ-CZUORRHYSA-N	248.410	4.745	0	10	BJAE	
CC[C@@H](C)[C@H](C(=O)C1CCCC1)c1ccccc1	164038826	KGNXHSPKXGVYGC-CJNGLKHVSA-N	244.378	4.576	0	10	BJAE	
CCN[C@H]1CCCC[C@@H](CC2CCCCC2)C1	203531383	HHBIKNMNFDTRMZ-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@H]1C[C@@H](C(C)(C)C)CCC1=O	222177946	QJBYYSGPYXYPRY-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](NCCCC1CCCC1)c1ccccc1	225039721	ZHIVYSUXQDJFDC-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCC[C@@H](CCC)CC1	226538204	KVASXWZXDQCALS-ARFHVFGLSA-N	239.447	4.904	0	10	BJAE	
CC(C)CCC[C@@H](N)C1(CC(C)C)CCCC1	229171934	IFQGZHHYWXBOIE-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@H](O)CCC(C)(C)C)CC(C)(C)C	229340734	ZHSKIKGPYYTYGP-CHWSQXEVSA-N	228.420	4.636	0	10	BJAE	
C1CCC(CCN[C@@H]2CCC23CCCCC3)CC1	230165026	JEXMBWQXQDSCQO-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
C1=C([C@]2(C3CC3)CCCCCN2)CCCCCC1	232452689	SCWIUFRAOPJKPS-KRWDZBQOSA-N	247.426	4.579	0	10	BJAE	
CCC(C)(C)CN[C@@H]1CCCC[C@@H]1C(C)(C)C	232979642	MFBLHFUYIBQUJT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1scc(C)c1Cl	233276107	NOGJYSBGZFRAIY-SCZZXKLOSA-N	245.819	4.536	0	10	BJAE	
CCCC[C@H](C)c1c[nH]c2ccc(F)cc12	238797201	MADOCFQVLKGWBE-JTQLQIEISA-N	219.303	4.601	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@H](C)CNC(C)C	251427515	ZUUSXQFKVLTNGM-OAGGEKHMSA-N	241.463	4.863	0	10	BJAE	
C[C@H](C[C@H](O)[C@H]1CCC[C@@H](C)C1)CC(C)(C)C	252904989	REPVYNQJBVWGJP-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2(C)CCCCC2)C1	300244797	AEZXWKDKJRRMJT-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H](C)CCCC	300913888	KGSCKWBDTXTENP-ILXRZTDVSA-N	228.420	4.780	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)C[C@H](C)CC(C)(C)C	302272381	DCVWQAAWEMHLMZ-KKUMJFAQSA-N	242.447	4.882	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H](C)CC(C)C)C1	304173415	MGBDCGUQCZYPIB-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CCCNC[C@@](C)(CC)CCC1CCCCC1	305950775	MXYLVGFVFKTVMO-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)c1sccc1Cl	307337885	UFPPXGZNRAKZMS-UHFFFAOYSA-N	244.787	4.657	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@H](C)CC(C)C	308059327	VXIOWGUILCJRJE-UONOGXRCSA-N	226.404	4.700	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2CCC(C)(C)CC2)C1	310186498	XQUZXJUAJBTNDA-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H](C)CCC(C)(C)C	310280650	XBVUOTNZFSUUNR-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
CC1(C[C@@H](N)c2ccc(C(C)(C)C)cc2)CCC1	311126205	VHQIHEGRKHLZHA-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCCC12CCCCC2	313094823	CZLXSBAPLGILMY-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCNC[C@]1(C2CCCCCC2)CC=CCC1	318950816	SCOOJUBVURRQTP-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)[C@H](C)C(C)C	319077498	ZNVYBDZOQJTUJY-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)NCC/C=C\c1ccccc1	322851885	ADDOXIBWHWXCCO-PINLSGDHSA-N	245.410	4.504	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC/C=C/c1ccccc1	323821947	QTRGWBLIDUUHCG-XETPBLJFSA-N	244.378	4.875	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1c(C)c(C)cc(C)c1C	380722291	HDTITOAPTAEDBF-GTNSWQLSSA-N	248.410	4.780	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC[C@@H](C)CC1	383168319	KKZMYAQSNBBUDL-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@@H](C)CC(C)(C)C)c1	384441560	GJAGPJQKOVBZKB-GJZGRUSLSA-N	247.426	4.779	0	10	BJAE	
CC(C)(C)CC/C=C1/CCC[C@@H]1[C@H]1CCCCN1	386283475	OJIOLTNQXWTMCY-KCKALFRLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@](O)(CCCC(C)(C)C)c2ccccc21	386597118	KKZQMCVXUMEDEJ-DYVFJYSZSA-N	246.394	4.598	0	10	BJAE	
CCCC1([C@H](NC)c2ccccc2C(C)C)CC1	386599517	KWIWCFJOENWCKR-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCOc1cccc(NCC(CC)(CC)CC)c1	395171103	CYLYDQPFNAVDQB-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
Cc1cc(C(F)(F)F)c(S)c2ccsc12	396290558	AYLUISAICAEWBM-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
C[C@H]([C@@H](N)c1cccc2ccsc12)C(C)(C)C	399088313	AOWXWWIKEXAABL-ZWNOBZJWSA-N	247.407	4.583	0	10	BJAE	
CCCNC[C@]1(CC2=CCCC2)CCC[C@@H](C)C1	401080794	OFBWYPUWRDWZFK-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CN[C@@H](C[C@@H]1CC=CCC1)C1CCC(C)(C)CC1	402176631	WOOLUBPUOMGOBN-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@@H]1CC=CCC1	402262514	GVRZVHDYYDOXOB-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
CCCC1(/C=C(/CC)CNC(C)(C)C)CCC1	686130919	MCSIPGFRBXGWEP-OWBHPGMISA-N	237.431	4.681	0	10	BJAE	
CC(C)c1cccc([C@H](O)CC2CCCCC2)c1	688940467	SEFMRMBKHVFEGD-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)C1(C)CCCCC1	688966174	XVBPODLJVKJZFO-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCSc1cccc(N[C@@H](CC)C2CCC2)c1	689682165	IHYIZHXLNZEJNO-HNNXBMFYSA-N	249.423	4.789	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCC1CC2(CCC2)C1	691959099	GCEJFEZLCNMEDP-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCOc1ccc(Cl)cc1C	696800361	UTUTUGKPMFVVDG-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
CN[C@H](CCC=C(C)C)c1ccc(C(C)C)cc1	697774709	NTTMDRNKOVEJFL-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1csc2ccccc12	701060717	RRSIHXZKPDGUGR-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CCCN[C@H](C(C)(CC)CC)C1(CCC)CC1	701251710	FNXMIVRPWFKLTE-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCCC[C@@H]2C2CC2)C1	704475697	WZEPVPXUGCQNJX-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(N)C[C@@H](C)CC(C)C)c1	704505400	DHHPIRAHXKEHSO-RDJZCZTQSA-N	247.426	4.550	0	10	BJAE	
CCC[C@](N)(CCC(C)(C)CC)C1CCCC1	704823107	QTCJPSCAFQQPID-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H](C1CCC1)C1CC1	705300675	WZMJNYCLEZIUDP-HNNXBMFYSA-N	249.785	4.639	0	10	BJAE	
CC1CCC(CC(N)(C2CCC2)C2CCC2)CC1	705337352	YISHIWOZWVLINX-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCCC12CC2)C1CCCCC1	706304604	XICPRZKXWXLFLA-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NC1CCC(C2CCC2)CC1	710191061	LUNPFSBQMRAYKK-LYAPFXNSSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)C(C)(C)C(C)(C)C	711157897	LXQSIVCPQRFCPA-STQMWFEESA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cc2ccccc2s1	713131769	LJQMRYUNGLTEND-GFCCVEGCSA-N	247.407	4.727	0	10	BJAE	
CC(C)(C)CC(=O)c1cc2cscc2s1	713314523	JSULGPXTUXYMMQ-UHFFFAOYSA-N	238.377	4.582	0	10	BJAE	
CCCN[C@H](CCC(C)(F)F)CC(C)(C)CC	714006995	WDHWYUWLRHTDKS-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1CCCC2(CC2)C1	718545877	IOCNJNXZCLKXGJ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CCC[C@H]2C[C@H]21	718591718	YSMAKDVJVNYVAI-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]1CCCC[C@H](CCC(C)=C(C)C)C1	718641950	AMGNCMPKHIYRRL-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC1CCCCC1	720361095	XICULKFEPIAMID-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CC1CCCCC1	720975872	CIMDIYJPBCKRPO-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cccc(CC(C)C)c1	721693020	RHQFVUGGNUXIPB-MRXNPFEDSA-N	248.410	4.745	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(C)c(OC)c1	821908535	CGIHLXLMLZRKEE-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1CCC[C@H](C)C1	1621346293	UTIUDCGATLMBMF-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCN(Cc1ccccc1)C(C)(C)C	1880242548	HDFJDEPBJDAORN-AATRIKPKSA-N	245.410	4.643	0	10	BJAE	
CC(C)C[C@H](C)N(Cc1ccccc1)C(C)(C)C	1880410182	ZPFVDTPANVJKHT-HNNXBMFYSA-N	247.426	4.722	0	10	BJAE	
Cc1cc(Cl)c(Cl)cc1CC(C)(C)C	1889573255	TYPMUTVZTWWJNG-UHFFFAOYSA-N	231.166	4.890	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1CCC(C)(C)C1	1902280339	QFMHCNKQHZHJGK-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)C1CCCCC1	1905388034	IZEXPRFVQDZKKA-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C[C@@H]1C[C@H]1C(C)(C)C)NCCC	1910741594	ZFYYPAZNNLKVJJ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(CN)CC3(CCCC3)C2)C1	1912585271	PKABTOHJZBLAED-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CCNC[C@]1(CC2CCC(C)(C)CC2)C=CCC1	1916354541	ZRFXMBXHHUWTFJ-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC)c1cccc([C@H]2CC2(C)C)c1	1916483219	BVDLAGGFFPWFRV-HZPDHXFCSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CNC)C=CCCC1	1916565732	UGDPYIFSQXYXCG-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCNC[C@@]1(CC2CCCCC2)C=CCCC1	1916569660	SPVXQCSNUPLVBP-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1[C@H]2CCCC[C@H]21	1919996470	VAZMQROTQWVACN-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1CCC(C)CC1	1920183373	UBNUTOCGHCQJGH-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
CCCC1CC(CNC2CCCCCCC2)C1	1921223396	JECDYBXERSLVFD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@H]1CCCC12CCC2	1921620467	PDFZODICUKRMBR-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cc(C)ccc1Cl	1925506941	NOBCTPHDCHSDFA-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@@H]1C=CCCCC1	1925796346	XDYFESYZNYZIHC-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CCCC1(C)CC1	1935941669	WJGSFYDBEPMSAP-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H]3CCC[C@H]32)cc(C)c1Cl	1940412905	JPPNKCVCQKGLHL-IACUBPJLSA-N	249.785	4.557	0	10	BJAE	
CCCCCC[C@H](C[C@@H](C)C1CC1)NCCC	1940720799	IUIIKTNYAOXPGQ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CCC[C@H]2CC2(C)C)CC1	1940871980	IRCSQOIFYWBTKE-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(CC(=O)C(C)(C)C2CC2)CC1	1941141698	RQFQYOJMFOOXDZ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21	1941717721	PASOLOZZUKXHLS-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
Clc1ccc(N[C@@H]2CC[C@H]3CCCC[C@H]32)cc1	1946346804	ZXLTYVYVNZIKRH-KCPJHIHWSA-N	249.785	4.721	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCC(C)(C)C1	1947470707	VJPHTJMVGNVZPT-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC23CCC3)c1	1949323288	YUDRQHXMKSDASS-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@H]1CCC(C)(C)C1	1949533452	CAIUEADCHBCAKU-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC(C)C)C(C)(C)C	1949826369	GPCLBYBQYZNIHS-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C[C@H](O)CC1CCCCC1	1949906389	CWCBZDRWVZBKIO-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@@]1(CO)CCCC(C)(C)CC1	1950911023	LGMVFQXVIKWIAL-INIZCTEOSA-N	240.431	4.782	0	10	BJAE	
CC[C@@H](C)N(Cc1ccccc1)C1CCCCC1	1953231668	UIPUSQGVQRARBW-OAHLLOKOSA-N	245.410	4.620	0	10	BJAE	
Cc1ccc2[nH]c3c(c2c1)CCCCCCC3	1962721313	OQZKXORFCIUPOY-UHFFFAOYSA-N	227.351	4.525	0	10	BJAE	
Cc1cccc(C)c1OCC1C[C@@H](C)C[C@H](C)C1	1968271971	ZCVSPBZURMRAAN-STQMWFEESA-N	246.394	4.755	0	10	BJAE	
CCCCC[C@@](C)(O)[C@H]1CCCC(C)(C)C1	1978329926	RMIVNXZEVOOXQM-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC(CC)CC	1981009348	BRMFRBOYZWRDKF-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCN(CC(C)=CCl)C1CCCCCC1	1991730252	DAQWDIZRIHOIPM-UHFFFAOYSA-N	243.822	4.564	0	10	BJAE	
CCCCN(C1CCCCC1)[C@H](C)CCC	1991759722	SBHVFXMAGJNGMQ-CQSZACIVSA-N	225.420	4.610	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1ccc(C)s1	1995254555	TXWKCLRMRMYSPV-AAEUAGOBSA-N	240.412	4.696	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCCC(C)C	1995262490	NSBCCJQCRGORDD-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
Cc1cccc(C)c1N[C@@H]1CC[C@H](C)[C@H](C)C1	1995630653	TUVNCMNOOZSKQL-NILFDRSVSA-N	231.383	4.540	0	10	BJAE	
C[C@@H](CCC(=O)CC1CCCCCC1)C(F)F	1996104097	CWSPEJVZIUSUGG-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC([C@@](C)(O)CCC2CCC2)CC1	1996556237	WTYCLNMNGYPXHI-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)C1CCC(C)CC1	1996588283	DPYJHFCAEVVMAC-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1CCC=CCCC1	1999981792	SADSHXSKGPYVLM-HNNXBMFYSA-N	236.399	4.908	0	10	BJAE	
CCCC1(C(=O)C[C@H](CC)CC(F)F)CCC1	2000195444	SKEJAQVEIKTWOC-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](C)N(C)C[C@H]1CCC=CCCC1	2000894260	FIPQCIIHFYEQQI-CVEARBPZSA-N	237.431	4.633	0	10	BJAE	
CCCCCCC(=O)CC1[C@@H]2CCCCC[C@@H]12	2002227899	GMSUSMQWGOQPMS-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)C(=O)CC[C@@]1(C)CCCCC1(F)F	2002588261	MLLXLEMJNXDQGG-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H]1CCCCCCCC1=O	2003070127	IKZXJCKDGOWOBW-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CCN[C@H](CC=C(C)C)C1CCC(C)(C)CC1	2004234382	PVUUEZIXZWMYBV-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H]1[C@H](O)C1(C)CCCCCCC1	2004920862	ORIFBIDTEZCHAV-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@@H](O)C1(C)CCCCCCC1	2006714192	NQQOUCJGVNZTDG-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)C1(C)CCC(C)(C)CC1)C1CC1	2007683612	RMVBRGJZRMNBIE-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCCCCC1(CNC)CCC2(CC2)CC1	2007691723	CNBSTTBMIQVQMM-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@@H](CCC)NCC1CC(C(C)C)C1	2007808189	PSNJUUXFXQPUHE-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(CN(CC(C)C)C(CC)CC)C1	2007835566	MWLYHLRDNUXEBD-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C=C1CCCCC1	2007920720	LLBYDKSFCRGKPS-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)CCC(F)F	2008578140	BGUFACFUEKPBQE-LLVKDONJSA-N	241.325	4.656	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC(C)(C)CC)[C@H]1CC	2009248130	GITXCLAQRIJBJD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CC[C@@H](C)CCC1=O	2009412230	WJOJTVDJANQFDC-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC([C@](C)(N)CCC2(C)CC2)CC1	2009546114	DHSXLWVDLLOZFC-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCCCc1ccc2ccccc2n1	2009593400	PLJHLGKEOCGPEG-NSCUHMNNSA-N	225.335	4.524	0	10	BJAE	
CCCC[C@@H]1NC[C@@H](C)[C@@H]1C(CCC)CCC	2009774543	YZDXQPYLXXIYNT-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1CC(N(C)C2CCCCC2)C1	2009777674	OPBNAHDSAPCFSL-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CC[C@H]1CC=C([C@](C)(O)CCC(C)(C)C)CC1	2010727205	VLGBEVZNHADDQT-XJKSGUPXSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@](CC)(CNC1CC1)C(C)C	2012409225	GSNDLKDHNZLHHQ-BIENSFFJSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1C[C@H](C)CC[C@@H]1C	2013323281	VLKOBDPXIRTWDX-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H]1CCC1(C)C	2014845368	FBPONTVMHCSKJO-SJKUQHEZSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)C1(C)CCCCCCC1	2015275183	OBCQDDPQUGAXME-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@]2(C)CCCC(C)(C)C2)C1	2017623383	PPYOARGUCYMYOF-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC(C[C@]2(C)CCC[C@@]2(C)O)CC1	2017711423	CSKYSWNNLSSALE-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1CC[C@H](C)CC1	2018135095	VPACNIKQYBBCSK-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H](C)[C@@H](C)C1	2018139318	QNAXXGUKJXTJFN-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@@H]1CCC[C@@H](C)C1	2018179215	FJNIMDYVKILEFG-OWCLPIDISA-N	239.447	4.856	0	10	BJAE	
Cc1scc(C(=O)C[C@]23CCCC[C@H]2C3)c1C	2018632261	SHBSSKQVLYUYES-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@H]1CCC[C@H](CC)C1	2019198821	IZWVNUOKYKQDDI-JYJNAYRXSA-N	239.447	4.856	0	10	BJAE	
CCCCCC(C)(C)CNC[C@H]1C[C@H]1CCC	2022492566	KPOZHHMHBZKLII-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1CC12CCC2	2026073913	JTPJOCPKZNZTID-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC1(N[C@H]2CCC23CCCCC3)CCCCC1	2026941674	HTLGVODBZLRPHX-HNNXBMFYSA-N	249.442	4.802	0	10	BJAE	
CC1(CCCNC2CCC3(CCCC3)CC2)CC1	2027812886	QKDDIWOONFRMSD-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@]1(C(C)C)Nc2cc(C(C)(C)C)ccc2O1	2027876574	XXEFJJJGKMMRRC-INIZCTEOSA-N	247.382	4.551	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1ccccc1CC(C)C	2028927723	QMCFWYHHQKXKNJ-UKRRQHHQSA-N	244.378	4.504	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1ccccc1C1CCC1	2029069842	NRSIHSHSENGTHD-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CN[C@H](c1ccc(C)c(C)c1)[C@H](C)CCC(C)C	2029826222	SKSWMVNDMKBLNQ-PBHICJAKSA-N	247.426	4.636	0	10	BJAE	
C(CCN[C@]12CCCC[C@H]1CCC2)CCC1CC1	2031809208	PXEDSNLTWLPMCU-IRXDYDNUSA-N	249.442	4.659	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)c1C	2034263650	NNZFJMYANVADDI-ZMSDIMECSA-N	243.394	4.684	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)[C@@H]2C(C)C)c(C)c1	2035413054	UKSJMHIEZSPVPR-XKQJLSEDSA-N	245.410	4.786	0	10	BJAE	
C1=C[C@H](CCc2ccc3ccccc3n2)CCC1	2035554870	IXRFQNWCMQYNMX-AWEZNQCLSA-N	237.346	4.524	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CCC1=CCCCC1	2037171652	NNOLYBUYSGWCHW-SJORKVTESA-N	249.442	4.955	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CNC3(CCCCC3)C2)C1	2037720583	JJFNAQGVICZKHP-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)[C@H]2CCC3(CCCC3)C2)CCCCC1	2037762686	QQQKERJBOGELQT-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CC1CC2(CCC2)C1	2038084572	BDQBPGQEMXXBOA-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1)C1(CC)CCC1	2039721019	ZHQBXWCXQWKBDN-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCC[C@](O)(C[C@H]1CC[C@H](C)C1)c1ccccc1	2040172939	PMXIKWQRHMOPTA-ZOBUZTSGSA-N	246.394	4.501	0	10	BJAE	
N[C@@]1(CC2CCC=CCC2)CCCC2(CCC2)C1	2041291400	YURIIWCFNWGNJZ-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1(C2CC2)CCCCC1	2042948933	ONUIZZCMYWJGGC-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)[C@H]2C=CCCC2)CC1	2043195605	WCGLGASBRSQYHO-NFOMZHRRSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CC(N[C@@H]2CCC3(CCC3)C2)CC1(C)C	2043609749	RJDHMAQQGIKZDF-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CC[C@@]1(C[C@@H]2CCC=CCCC2)CCCCCN1	2045323888	QASUKPSPMJSELI-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC1CCC=CCC1	2045568695	BJMMOIDJGSHGCS-JKSUJKDBSA-N	248.410	4.908	0	10	BJAE	
CN[C@H](CCCC(C)C)C[C@@H](C)c1ccccc1	2045628076	ACPJEYUZHJHRAE-NVXWUHKLSA-N	247.426	4.595	0	10	BJAE	
CN(C[C@H]1C=CCCCC1)[C@@H]1CCCCC1(C)C	2046391514	MTBKIBJSSJKPAH-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047409401	NWDJTJHPSXSKSI-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048446124	GVSPZBFVDLSISI-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@H]1CCCC(C)(C)C1	2049499125	RABOHIZJCPKKHH-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@@H]1CCC2(CC2)C1	2049849037	NMFSPAQCUDIETR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@]1(C[C@H]2CCCC3(CC3)C2)CCCCCN1	2049854585	HJQJUSQWCIAVEC-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)C[C@@H]1CCCC2(CC2)C1	2049857120	PNPGYXRCSSZJSC-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)C[C@@H]1CCC2(CC2)C1	2049930667	ANWWXTQQGOPJID-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1CC(CC2CC2)C1	2050216819	MTSCUMLECZJAJZ-KNIAUWFNSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCCC1CCCCC1)c1ccco1	2050527663	KUNCVRZZLILLKQ-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
CCN[C@H](CCCC1CCCCC1)c1ccco1	2050527664	KUNCVRZZLILLKQ-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCC1(C2CCC2)CC1	2051909907	FTZBSKGXKRNYCH-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)CCCCCCC1	2052502397	IYEFGWVXAJMHKD-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1CCCC[C@H]1F	2055157543	AGLGTGBHVNQBMH-HIFRSBDPSA-N	249.373	4.677	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCC[C@H]2C(C)C)cc1C	2056452177	QKBBZMKPKZHJHJ-HOTGVXAUSA-N	244.378	4.558	0	10	BJAE	
Cc1cccc(C(=O)C2(C)CCC3(CC3)CC2)c1	2056539315	ITMCJGKOWJEGCR-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CN[C@H](CCCC1CC1)C1(C)CCC2(CC2)CC1	2056556220	GBRFWIGAARXEDT-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C1(C(C)C)CCC1	2056880640	DFBHETDXDSROPA-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1CCC12CCC2	2059259202	MZUHFQXUDMSZBU-CFSAUIFESA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@H](NC)C2(C(C)C)CCC2)CC1	2061151373	ROGRXONTIZYYQP-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CC[C@]12CCC[C@@H]1C2	2061606221	KGCQASXTMIHLTA-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CC1CC(=C2CCC2)C1	2061738079	YNCRRSBQXRAIFL-IAGOWNOFSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC1(N)CCC2(CCCC2)CC1	2062648246	ZFECPXGIVYMBTD-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063535455	JHXXYZKZOYGFHU-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1CC2(C1)CC21CCC1	2064003140	VAZXBBUVJDFJLZ-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C[C@@H]1CCNc2ccccc21)C(C)C	2069004429	RDFFOJPYXCGCCA-AWEZNQCLSA-N	245.410	4.904	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1CC[C@H]2C[C@@H]1C2	2069219533	CEZLMVFHQRGDFG-GUTXKFCHSA-N	243.394	4.585	0	10	BJAE	
CCCC1(CC(=O)CCc2ccccc2)CCC1	2069283390	RSGSEXJSIIQRQF-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CCC1)c1ccco1	2069344680	NEBICNXFGLULOK-AWEZNQCLSA-N	249.398	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1(CC2CC2)CC1	2069511050	JRFKWKJIZFBFFS-WMHVBEDNSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@@H](NC)C2(CC(C)C)CC2)CC1	2069520181	UZRVASTXJGZIJK-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C2(CC3CC3)CCC2)C1	2069520394	XWNJRIMZKJHMNF-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C1(CC2CCC2)CC1	2069563372	FTIWGPMFMXQCQI-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1C)C1=CC[C@@H](CC)CC1	2071513423	ZZKAVSVEVWXFDE-TXCZRRACSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H]1CC2CC1C2	2072048076	JKHDMRJRWLVPDM-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
C[C@@H](N[C@]1(C)CCCC(C)(C)C1)c1ccccc1	2072617252	NBIHUDAKRXBZOP-RHSMWYFYSA-N	245.410	4.696	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCNC23CCC3)CC1	2072820166	WBORDRMQXBLHSB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@]12CCCC[C@H]1C2)[C@@H]1CC1(C)C	2074034702	SGUQPZQBYITRII-ABFRBSLYSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@H](O)c2ccccc2C2CCC2)CC1	2074612472	VFCPXCSVUSHYDF-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@]2(C)C=CCCC2)CC1	2074653072	KHVYPSPHUJPRPL-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)c1c(C)cc(C)cc1C	2079863532	KJMXGVLVDMBTRT-LSDHHAIUSA-N	244.378	4.621	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1C[C@H]1c1ccccc1	2079868266	XHTNDCNNEQTJMC-WBVHZDCISA-N	244.378	4.576	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H]3CCCC[C@H]32)cc1	2081141209	ORFKSGOXTVFOTI-USXIJHARSA-N	243.394	4.766	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(CN)CCCC23CC3)C1	2082991648	SGIYXAVQVXVLPN-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
C[C@H](CCCCCCC1CC1)C[C@@H]1CCCN1	2213573302	GFPNNMCSLDVBDH-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@H]1CNC1CCCCCCCCC1	2215033799	OCDIBCXKLXGCFW-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@]1(CNCC)CC=C(C)CC1	2215835002	LCEWBXUHVDXKAB-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CCC[C@@](C)(CCCCC(F)F)CNC(C)C	2216432977	ITTDUIYPESLYMF-AWEZNQCLSA-N	249.389	4.616	0	10	BJAE	
O=C(CC[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218330198	FQKWONZFUTWESY-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@](N)(CC1C[C@H]2CCC[C@H](C1)C2)C1CC1	2218356004	ILUSFJQDPKXBPV-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(N)(C[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218356338	LWQVKJCQSFEWHP-JSGMBBGDSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)CC[C@@H]1C[C@@H]1C	2220963521	SUVVWSFFYGCLBL-UONOGXRCSA-N	244.378	4.504	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)CC1(C)CC2(CCC2)C1	2221037335	CWFFMXJDHNSZOJ-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC1	2222954563	LMQBLEUMHIGZQW-XNISGKROSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CCC[C@H]2C[C@H]21	2223107170	DPCQCRLMCJFKCN-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
Cc1cc([C@H](N)CCCCCCCC2CC2)co1	2223109509	JZQXVZGVKONQBD-MRXNPFEDSA-N	249.398	4.729	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)c1ccc(C2CCC2)cc1	2223685784	AUWRDAMMKRJMFN-AHIWAGSCSA-N	245.410	4.636	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@@H](C)c1ccc(C)cc1	2223967921	IALKNVZBMNPDMS-YQQAZPJKSA-N	247.426	4.513	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1ccc2occc2c1	2224197151	AFZILSGAKSCBER-LBPRGKRZSA-N	244.334	4.688	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1CCC1(C)C	2243169072	ANPXMIVDTCYOBT-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
Fc1ccc(CCC[C@H]2C=CCCC2)cc1	2245899624	SEQJSWYMUMVLPQ-ZDUSSCGKSA-N	218.315	4.505	0	10	BJAE	
CC(C)C(N)(CC[C@H]1CCC[C@H](C)C1)C(C)C	2246723554	AHDFYJCJHQNKSP-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CC[C@H]2CCC[C@@H](C)C2)C1	2246732594	MIHJHLKMYLUNKI-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC1CC2(CCCC2)C1	2246769126	ILJKROYZSMABAQ-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC)CCC1CC2(CCCC2)C1	2246821894	TXWPMLPEIIMDII-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@](O)(CC1=CCCCC1)C1CCCC1	2247462678	OVVIMEHVFUKRJO-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)CNc1cc(C2CC2)ccc1F	2250113548	FNQIVNIFEZLCDI-LLVKDONJSA-N	235.346	4.551	0	10	BJAE	
CCC(CC)CC(=O)CC1CC2(CC(C)C2)C1	2250451877	YEVKIOACGFHAIK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1=C[C@](O)(CC[C@H](C)CCCC(C)C)CC1	2250497058	YLNPUFPVZRZHAO-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)C[C@@H](N)c1ccc2ccsc2c1	2253128839	GIUJSCKQTWWMNY-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C2[C@@H]3CCCC[C@@H]23)C1	2253936899	GAJYYFDQYYKBEE-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CC23CCCCC3)C1	2253972735	XLNGCGFVFORVEQ-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@H]1C)[C@H]1CC=CCC1	2254594792	RZWJJLYAUUKMFH-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCC23CCC3)C1	2254975187	IVWGSGHDAHSETD-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCCC12CC2)CC1CC1	2255291149	MMWIUYXENDQXMU-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@H]2CCC3(CCC3)C2)cc(C)c1C	2258231726	RKPHXCXJYUMHDT-HNNXBMFYSA-N	243.394	4.747	0	10	BJAE	
Cc1cc(NC[C@]23CCCC[C@@H]2C3)cc(C)c1C	2258234049	AGYKSYFCSFFKNE-NVXWUHKLSA-N	243.394	4.604	0	10	BJAE	
CC1CC2(C1)CC(C[C@@H]1CC(C)(C)CCC1=O)C2	2259546290	YONREXFLAGTPOZ-OPFKTAGGSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1=CCCCC1)[C@]12CCCC[C@H]1CC2	2260508796	RKRZWKNRNROFEU-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@]12CCC[C@H]1CC2	2260509362	UXLSAIVCOXDWRZ-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
C(CCCC1CC1)CCN[C@]12CCCC[C@@H]1CC2	2260558462	ZYCZUMPOIGEKDP-SJORKVTESA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@]12CCC[C@H]1CC2	2260587397	MQEIONXSDPIMPF-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC([C@@H](N)C[C@@H]2C=CCCC2)C1	2261202490	QTWYXZYVXYAGQJ-LMPOIIKSSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)CC1CC([C@@H](N)C[C@@H]2CC=CCC2)C1	2261202936	OPRAIPDTQWKBJK-LMPOIIKSSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](N[C@H]2CC23CCCC3)C1	2261386517	OXWKPWLKDBQEMR-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)[C@H](C)CC1CC1	2298852000	LUXAIILNWIJMPY-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@]1(N)CCCCC12CCCC2	2300902933	ZHWDHSJFTCBAJP-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC=C(C)CCCC(C)C)NC	2300910896	DTZCIIDVAKRLOH-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CN[C@@H](CC=C(C)CCCC(C)C)CC(C)C	2300936510	FZLUKDXWXOIAIS-INIZCTEOSA-N	239.447	4.783	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC2CCCCCC2)CC1	2301146935	DVAHEWKHZTZZHJ-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C[C@H](N)CC1CCCCC1	2301836323	LVHXQJSMKPUUJI-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@H](C)[C@@H](C)C(C)C	2301843001	GECRFQNXQGNBRO-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CCCCC1CC1	2302574964	RUCIETMQZRGWIG-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@@H]1CCC(C)=C(C)C1	2303526852	RPEHRIICPJCRKB-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CC[C@@H](C)CNC(C)C)CC1	2303574640	BBZDOUAFYPUGEF-CJNGLKHVSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CNc1cccc(C(C)C)c1F	2307560014	WWOWUCLVWCGQHX-LBPRGKRZSA-N	237.362	4.797	0	10	BJAE	
CCCc1ccccc1OC[C@@H](CC)CCC	2307752469	RSKCUFDAYIMFDX-AWEZNQCLSA-N	234.383	4.844	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CCC1(C)CC1)NCC	2307904376	SJUTYOVBJRFFFD-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@H]1CCCCC1(C)C	2307905838	ZVDHQKRYFDNYNP-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1CC[C@@H]1C1CCC1	2310980891	PTIZVIJZWZGEJG-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
OC(CCC1=CCCCC1)(CC1CC1)CC1CC1	2315436952	SXQQIGNRHCTBBF-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C/C=C/c1ccccc1	2315940302	COZHXCQUVDMUON-FWVUHSSSSA-N	246.394	4.667	0	10	BJAE	
CN(CC1CCCCCC1)[C@@H]1CCC12CCCC2	2316879778	URQSWTJYXPSGSA-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
N[C@]1(CC2CCCCCC2)CC[C@H]2CCCC[C@H]21	2316883886	JLQUJPYWURSFRB-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCCCC1	2316886917	ZDHCZBCZKWNCFJ-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C(=O)C[C@H]2C[C@H]3C=C[C@H]2CCC3)CC1	2317143834	SDKVGQHTTZWCET-RBSFLKMASA-N	246.394	4.518	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N1[C@H]2CC[C@H]1c1ccccc12	2318002001	TYTYHEGLNRMAQE-OQUILHJVSA-N	243.394	4.559	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)CC[C@H]1C[C@@H]1C	2318597825	NZMYLEJAGFPTSH-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CNC3(CCCCC3)C2)C1	2319136946	XOMGSPIQGIQYKH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CC[C@H]2C2CC2)CCCCC1	2319581806	RUWAFHJORGBBHP-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](O)CC[C@H](c1ccccc1)C1CCCC1	2319670536	UHBZUBXAMQJMEG-DLBZAZTESA-N	246.394	4.512	0	10	BJAE	
CC[C@]1(CC[C@H]2CC[C@@H]2C2CC2)CCCCCN1	2319752479	YHFNUODZQPHAFY-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@@]12CCC[C@@H]1CC2	2320228394	KBYQPPHSNBVEJY-ZOMKSWQUSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(OC[C@H]2CC[C@H]2C(C)(C)C)c1	2320255343	NIIVGHYXEZNPED-GDBMZVCRSA-N	246.394	4.700	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)[C@@H]2C[C@H]2C(C)(C)C)CC1	2320336810	IRHJFFYKZLQVNC-ZJIFWQFVSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1C	2320393834	JVSHGAKTBKSHFX-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(N)(C[C@@H]2CCC(C)=C(C)C2)CC1	2320395014	UGFVEKWQWKFXMK-AQFXKWCLSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)C2CCC(C)CC2)CC1	2320408804	NWOKTHXKEHLVGE-BLDCVEFLSA-N	249.442	4.633	0	10	BJAE	
CN[C@@H](CC1CC(C)C1)C[C@H]1CCC(C)=C(C)C1	2320423567	NANWONRLVRMJQB-FPLFOGFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(C[C@](C)(N)CC(C)(C)C)c1	2320659810	ICQKOUGRNXFODZ-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)CCC23CCCC3)C1	2321643078	UKZNGMQTXUIBTL-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@H]2CC[C@H](C)C2)c1	2327672417	DTYWAVSCICZDBP-RVSPLBMKSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H](C)c1ccc(C)cc1	2328265058	HQVZJMSGJBOZFP-GJZGRUSLSA-N	246.394	4.884	0	10	BJAE	
CSc1cccc(N[C@@H](C)CCC(C)C)c1	19986131	WPKKWUWIPPXMHR-LBPRGKRZSA-N	237.412	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1cccc2ccccc12	21515970	MKIQMUZOJBKAJP-CZUORRHYSA-N	239.362	4.830	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCCC[C@@H]2C)cc1C	36664794	IICZCCGWBLYHJF-LXZKKBNFSA-N	245.410	4.533	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2cccc(Cl)c2)C1	70682604	FGWNSDBHDFDRNV-CYBMUJFWSA-N	237.774	4.721	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CCC(C)C)NC	71085343	QDXJXHZYGXTVCR-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(N[C@H]2CC[C@H](C)C[C@@H]2C)c1C	85085462	CXWUPGRLXVIMMY-WHOFXGATSA-N	231.383	4.540	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H]1CCCC(C)(C)CC1	86909289	NUGXRDRYNDVKSQ-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@H](Sc2cc(N)ccc2C)C1	91942162	LMOIUHOCYHUMAE-OCCSQVGLSA-N	249.423	4.638	0	10	BJAE	
C[C@@H]1CCc2c(sc(N)c2C2CCCCC2)C1	105556118	IUKGFHLSLHRDSM-SNVBAGLBSA-N	249.423	4.503	0	10	BJAE	
CCC(=O)CC[C@H](CC)c1cc(C)ccc1C	107531370	UEQCRUSKMLWIOW-AWEZNQCLSA-N	232.367	4.556	0	10	BJAE	
Cc1cc(Cl)c(N[C@H](C)C2CC2)cc1Cl	132025167	CCYLXKPPXHSRET-MRVPVSSYSA-N	244.165	4.512	0	10	BJAE	
C[C@@H]1CC[C@@H](O)c2cc(C3CCCCC3)ccc21	136937973	NWEJNSQGHFVSSS-SJKOYZFVSA-N	244.378	4.665	0	10	BJAE	
Cc1cc(F)ccc1C(=O)C1CCCCCCC1	158859733	MLCIHTYKSMOEMK-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H]1CC[C@H](CC)C1	165897224	ZJFFJKRYJCYZGX-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCC[C@@H](CCC)CC1	226538213	KVASXWZXDQCALS-XHSDSOJGSA-N	239.447	4.904	0	10	BJAE	
Cc1cccc([C@H](N)[C@H]2CCCCC2(C)C)c1C	226828060	HOFXYAQFVOPDHO-CVEARBPZSA-N	245.410	4.520	0	10	BJAE	
Cc1cc(C)cc(O[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1	226901206	GMPAIFPVJFLLCZ-QLFBSQMISA-N	232.367	4.507	0	10	BJAE	
CCN[C@@H](CCCC(C)C)c1cccc(C)c1C	229170941	LYDMPDLLYXUIQA-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCCC[C@@H](CC)[C@@H]1CNc2c(F)cccc21	232984669	GVDFMCLAHRTGEW-YPMHNXCESA-N	235.346	4.551	0	10	BJAE	
CCC(C)(C)CNc1ccc(C(F)(F)F)cc1	233022045	JSWDOWSKOPOZKE-UHFFFAOYSA-N	245.288	4.554	0	10	BJAE	
CCC[C@@H](C)C1(O)CCC(c2ccccc2)CC1	233274060	HTJDBBASACKCGM-ODIFPOPNSA-N	246.394	4.512	0	10	BJAE	
Cc1cc(C)c(C(=O)CCC2CCCC2)c(F)c1	235820411	AIDJBIKGNDIYCH-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
Cc1ccc([C@@H](O)C2=CCCCCCC2)cc1C	235903985	WBZRLLJIELESCQ-KRWDZBQOSA-N	244.378	4.617	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H]1CNc2c(F)cccc21	300262399	QGBOFSIREPXIGZ-CHWSQXEVSA-N	247.357	4.551	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@]1(N)CCC1CCCCC1	302240231	DDBNTSKLZNVRLT-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](Nc1cccc(C)c1Cl)C1CC1	304362893	SNVPQRJLYGCUFQ-LBPRGKRZSA-N	237.774	4.639	0	10	BJAE	
CC[C@@](N)(CCCC(C)(C)C)Cc1ccccc1	305944945	SHYDSHZUNHQNQQ-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
Fc1cc(C(F)F)c2scc(Cl)c2c1	307369510	OOWHXKMCZQQAQJ-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1cc(C)ccc1C	308109914	MLQZQIQSZXAWIL-OAHLLOKOSA-N	246.394	4.949	0	10	BJAE	
CCCCCC[C@H](C)c1ccncc1CC	309484869	XPGGVGZXRSRCSX-ZDUSSCGKSA-N	219.372	4.718	0	10	BJAE	
CCCCC[C@@H](NCC)C(C)(C)C(C)(C)C	309652854	UKPXTCSFJHCRRB-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](C)[C@H](CCCC(C)(C)C)C(C)C	309994639	PSODJJUYVFHEJR-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
Fc1ccc(N[C@@H]2CCCCC23CCCC3)cc1	310785173	SPWWZVQHDWQXHD-OAHLLOKOSA-N	247.357	4.741	0	10	BJAE	
CCCCCCN[C@@H](CCC)C1CCCC1	313480637	XRYMGUZNTHRWGJ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](NCCCCCCC(C)C)C1CCC1	322514958	HNMRFFBOVDDZJF-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](O)CCCC(C)(C)C	380118498	MEPUTJQNEVYKIL-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CC1(CNc2ccc(C(C)(C)C)cc2)CCC1	380201949	RMDZHLHBHGJJDV-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)C1=CCCCCC1	382982801	JBJDWWUTMJNUPG-UVTDQMKNSA-N	235.415	4.601	0	10	BJAE	
C/C=C\CCN[C@@H](C)c1ccc(CC(C)C)cc1	384568879	YTVVRRJVFRZLJY-YVACAVLKSA-N	245.410	4.502	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CCCC(C)(C)C	385100437	ZORJPSCTZVPEJG-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
COc1c(Cl)c(C(F)F)cc2ccsc12	396179176	ABNJKWYKLOUWLS-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
Cc1cc2cc(C(F)(F)F)c(C)cc2s1	396191557	CUBWCSYKCOARSW-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCc1cc2c(F)c(C(F)F)ccc2s1	396201353	RUHAHPMYKIVWJI-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cc(C(F)(F)F)c2scc(C)c2c1	396304037	NAXHYKTXTXPKNS-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC(C)=CCCNC1CC(C)(C)CC(C)(C)C1	397679829	SPOKKVJWVPWSGZ-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
c1cc2c(cc1NC1CCCCCC1)CCCC2	404660425	WCHBWHRMNNVZLT-UHFFFAOYSA-N	243.394	4.700	0	10	BJAE	
CCC1(/C=C(\CNC(C)C)C2CCCCC2)CC1	687558265	QMEJEGIUSIBXGL-FOWTUZBSSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)C1CCCCC1	688355605	IWZCIZRBURMTBE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CCCC2CCC2)C1	688356888	PMGFJQSMLJTUAU-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CCCC(CCC)[C@H](CCCC1CCC1)NC	688369412	QJUINIDNGNXHPE-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cccc(C(C)C)c1	688898822	HYIBCCOGJLKQQZ-HNNXBMFYSA-N	234.383	4.670	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)C1(C(C)C)CC1	688964385	UOFULVDQTDATOT-INIZCTEOSA-N	245.410	4.507	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCCC[C@@H]2C)c1F	691079894	MWIFFXAQUPJXQP-WCQYABFASA-N	235.346	4.515	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)[C@@H](C)C1CCC1	692761869	VHMVLTGFHWCJCP-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CCCCC[C@@H](C)[C@H](CC(C)C)NCCC	695053332	MQYCUNJASSRXBP-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](N)Cc1ccc(C(C)C)cc1	696175144	ADYNDFVKLXSPPC-MRXNPFEDSA-N	247.426	4.506	0	10	BJAE	
CCC[C@](C)(CCC(C)(C)CC)CNCC	696805471	JLTMKWXIVRXXJE-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCC(C)(C)CC(=O)Cc1ccc(C(C)C)cc1	697198452	NHYWWZMGDSXLGU-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
CC(C)c1ccc([C@H](C)NCCC2(C)CC2)cc1	700433959	FSNYODYEALSCDL-AWEZNQCLSA-N	245.410	4.651	0	10	BJAE	
CCC1CCC([C@H](NC)C(C)(CC)CC)CC1	701131839	CMEWKSCWDRKOPT-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C1CCCCCC1)C(C)(CC)CC	701134692	VSLJXYINALNOSK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@H](C)CC(C)(C)C	701243428	LOYJTIWNXQSITP-QWHCGFSZSA-N	227.436	4.602	0	10	BJAE	
Cc1c(Cl)cccc1O[C@H]1CCC[C@@H](C)C1	702647290	CLVBLRMHXBIYIE-PWSUYJOCSA-N	238.758	4.606	0	10	BJAE	
C1=CC[C@@H](COc2cccc3sccc23)CC1	705012337	YPLIWUXNBHCOJD-GFCCVEGCSA-N	244.359	4.636	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@@H]1CCCC12CC2	706283593	JRJARVLBUWLGLL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC[C@H]1CCCC2(CC2)C1	709976203	NUAUFGBMNCGGOO-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](NC)[C@H]2CCCC3(CC3)C2)CCC1	710144532	ZJQNAXCGBIBXDI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1C(=O)C[C@@H](CC)C(C)(C)C	711185445	SHCLJCLGBSOABJ-CQSZACIVSA-N	246.394	4.894	0	10	BJAE	
C=C/C=C/CCN[C@@H](C)c1ccc(C(C)C)cc1	713496516	QJQAIMCTPUHGAB-LFAOLKIESA-N	243.394	4.593	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@]1(C)CC1(C)C	718609496	CIOMWCPCVGMZQT-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1CC12CCCC2	720989667	LXBFZUSBZDPXJR-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H](C)CC1CC1	720989784	NBQWJMUCXQZMIP-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCCC2(CC2)C1	723561061	WHFAIMLNOJULEZ-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C1CCCCC1)C1CC1	724012063	VKVRUCMOTJSRIR-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@H]1SCC1CCCCC1	1188675584	AQIDVGNZGIZNBA-TZMCWYRMSA-N	226.429	4.879	0	10	BJAE	
CCC(C)(C)[C@H](C)NCc1ccccc1C(C)C	1659399173	YTMCRTJCKQQEOJ-AWEZNQCLSA-N	247.426	4.724	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCCC(C)(C)CC1	1663164630	BFZDTGABLYBSOB-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C1=C(CCCc2ccsc2)CCCC1	1889681415	PRWYXIJTUHDIJB-UHFFFAOYSA-N	206.354	4.571	0	10	BJAE	
CCc1cscc1N[C@@H](C)[C@@H]1CCC1(C)C	1902376170	FCXZYDWAESHOJU-JQWIXIFHSA-N	237.412	4.547	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CC)CCC(C)C	1905384667	XVFRBGRAVVTQPM-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
CCC1([C@H](N)C[C@H]2CC[C@H](CC)CC2)CCC1	1909703921	WIZVPXXSHOBYAL-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1C[C@H]1CCC)NCC	1910743001	MGJGWNOAIUGJOY-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1C[C@H]2CC[C@H]1C2	1919970426	RMGYFXGNOHLNNM-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@](N)(CC(C)C)c1ccccc1	1920475765	CXVYIPAQGHLMKK-YQQAZPJKSA-N	247.426	4.569	0	10	BJAE	
CC(C)c1ccc(NCC[C@@H]2CC2(C)C)cc1	1921547414	XGJVLQFJJQQJJB-CQSZACIVSA-N	231.383	4.658	0	10	BJAE	
CCCCCC[C@H]1[C@@H](CN)CCCC12CCC2	1924836331	HFJBCZNHNZMHNL-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CNCC1(C[C@@H]2C=CCCCC2)CCC(C)CC1	1925801474	CVABHQQNLSQGDY-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CSc1cccc(C[C@H]2C=CCCCC2)c1	1925873123	ZHWUFEXSPNAYJG-ZDUSSCGKSA-N	232.392	4.697	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@H]1C=CCCCC1	1925898847	RPYTWYSKAKQWNT-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CC(CC)CC)C1=CCCCCC1	1926375293	ADTIDWSWHBTPJS-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)CC[C@@H](C)n1ccc2ccccc21	1937173311	GUVLRGFEMJHRCL-CYBMUJFWSA-N	215.340	4.639	0	10	BJAE	
CCCC(CCC)C(=O)c1sccc1CC	1938208129	CIOSEXJUJSGDGV-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(N)C(C(C)C)C(C)C	1940255324	GFDADGOIVXNSHK-HOCLYGCPSA-N	241.463	4.704	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC[C@@H]1CC1(C)C	1940853425	NZLPOZPIMYOCLU-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCC[C@H]2CC2(C)C)C1	1940872579	NIMRYNZSEZASND-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](O)CC1CCC(C(C)(C)C)CC1	1941156852	LNVGXTUIAQYVCM-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](CC)(C(=O)O)[C@H](C)CCC(C)C	1942550208	JKRFGHISDGBASN-HIFRSBDPSA-N	242.403	4.730	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H]([C@@H](C)CCC(C)C)C1	1942661957	OYCDUQLPIOHRFJ-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)C[C@H]1CCC[C@H]1C	1944850504	VHTHKKUZOKNTTL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1C[C@H]2CCCC[C@H]2C1=O	1946324994	KSTRQJUAAYOZIY-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCCC12CCC2	1947882375	YIRUVPRCNJJROY-HNNXBMFYSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1CC(C)(CC)C1	1948405885	SNTYSUUKKGDLAQ-UIDBIOKJSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)CC1CCC=CCC1	1949081877	WQCSZWVDTABLQK-ZBFHGGJFSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@H]1C=CCCCC1	1949139167	JWSHDAFUHAGFGS-ARFHVFGLSA-N	237.431	4.667	0	10	BJAE	
CCCCCCc1nc2c([nH]1)[C@H](C)CC[C@H]2C	1949761126	BNSHLCJNPKSLIS-VXGBXAGGSA-N	234.387	4.533	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(CO)CCC[C@H](C)CC1	1950908282	LZKJCVKJMCICDC-HRCADAONSA-N	240.431	4.638	0	10	BJAE	
CCC1(C(=O)CC(C)(C)C(F)(F)CC)CCC1	1951236681	OENJYJYMWFPUIN-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
C[C@H](CC1CCC1)NC1C[C@@H]2CCCCC[C@H]2C1	1965990827	CFAZXADNJHXRRJ-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@@H]2CCC23CCCC3)CC1	1967700764	ZRGHQHKFGCQWJU-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
Clc1cccc(NC[C@H]2CCCC3(CC3)C2)c1	1968263161	WCZAFKXUHILWDA-LBPRGKRZSA-N	249.785	4.722	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc(-c2ccc(Cl)cc2)n1	1968396510	MONIWDHKXQDPLX-KCJUWKMLSA-N	249.766	4.587	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H](C)c1ccoc1	1970459851	DIPCMJGVZXIISY-XJKSGUPXSA-N	249.398	4.679	0	10	BJAE	
Cc1cccc(C)c1-c1nc([C@H]2C[C@@H]2C)cs1	1970804983	CSUYEMNHTSBFHN-RYUDHWBXSA-N	243.375	4.550	0	10	BJAE	
Clc1ccc(CC2CC(=C3CCC3)C2)cc1	1985535374	TXQODWJXPCTWJO-UHFFFAOYSA-N	232.754	4.773	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)C(C)(C)CC	1990100605	SVYHATABDYMOSM-ZIAGYGMSSA-N	227.436	4.760	0	10	BJAE	
C[C@H](N[C@H]1CC[C@H](C)CC1)C1(C)CCCCC1	1995987670	KQNVPPDHACKDLF-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC[C@H]1CC[C@@H](C)C1)C(C)C	1996261396	VUFUMWPUALKURA-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(O)CCCC2(CCC2)C1	1997043880	UYTVMEGVWNUKIT-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C(C)(C)CC)[C@]1(C)CC=CCC1	1997544841	XHWLDIBVARLCRW-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@@H]1CCCC(C)(C)C1	2000161008	BSVBKALWUBZEFQ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](NC)C1(C)CCCCCC1	2000318706	DYAJXUOTJWFINX-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC1([C@@H](NC)[C@H](C)CCC(C)C)CCC1	2000333692	PMFTVWWOOYQOLB-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002219336	GMSUSMQWGOQPMS-ZSHCYNCHSA-N	236.399	4.742	0	10	BJAE	
O[C@H]1CCCCCCC[C@@H]1CCCC1CCC1	2003112634	WRXYMUZYRSBGMV-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1CCCCCCC[C@H]1O	2003118503	SANAUZQOODIWJE-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CC1(CC(=O)c2sccc2C2CC2)CCCC1	2003179540	PNDAVXHJFFASGI-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@H]1CCCC2(CC2)C1	2003191934	QTMDESCCCOLMGF-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](O)(CC)CC1CCC2(CC1)CC2	2003192803	VRGZLMXJXDJKMA-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@@H]2CC[C@H]21	2004796936	GFZSNBLEJOHVOD-ZJIFWQFVSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H]1NCC1(C)CCCCCCC1	2004937552	QMRLWAHAYFTTOY-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](CC)C[C@@H](NCC)C1	2006630309	IFQXTMRKVOMGCP-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H]1CCCC(C)=C1C	2006912341	FEILEFLZMHHRNT-APHBMKBZSA-N	237.431	4.680	0	10	BJAE	
CCCN[C@H](C=C(C)C)C1(C)CCC(C)CC1	2007692232	OTPNJOXOQMEJBR-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
CCC1CC(CC(=O)[C@@H]2CCC[C@H](C)CC2)C1	2007771182	OPTWVTROLNUQFX-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H]1CCC(C)(C)CCC1=O	2009403390	BOBQDPRMSNFXTG-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC1(CC[C@]2(O)CCCC[C@H]2C(C)(C)C)CC1	2009544347	OSNXGVNZGSJCHG-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCN(CC(C)C)c1ccccc1	2009573232	QNEVWXREIKANIE-UHFFFAOYSA-N	231.383	4.505	0	10	BJAE	
CCCC1CC(NC2CCCCCCCC2)C1	2009712516	NHSYADOUBYBCGL-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
CCCCCC1CC(O)([C@H]2CCCC[C@@H]2C)C1	2009714812	VREMEUJDCWMTEJ-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CC(O)([C@H]2CCCC(C)(C)C2)C1	2009718483	YTFXCMDCPQHCKU-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@@H](C)CC(C)(C)C	2010985381	OBKPAAFYPKZTED-LSDHHAIUSA-N	237.431	4.548	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1CCCC2(CC2)C1	2013267563	RNKAYZIWAGYDHU-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC(C(C)C)C(C)C	2013268039	WLHFWVOMLDNLAL-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CC(C)c1ccccc1-c1cscc1[C@H](C)N	2013606822	ILMUWUXNEIBODM-NSHDSACASA-N	245.391	4.558	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)C1(C)CCCC1	2014337792	FJJAFMHBUKQJSF-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)C1(CCC)CC1	2015290694	MJXZPQJEMJRSPK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
c1cc2cc(NC[C@@H]3CC34CCC4)ccc2s1	2015542764	CUVQRHNGAJLJOP-LBPRGKRZSA-N	243.375	4.503	0	10	BJAE	
CC(C)C1(C[C@@H](N)C2CCCCCC2)CCC1	2017149425	ZZDQXTQQVXSQFY-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1[C@@H](C)CCN[C@@H]1C	2017859196	MVZDDQNREWVUHZ-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCCCN(CC(C)(C)C)C1CCCCCC1	2020508763	XJYSGYZSFPXHRR-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1ccccc1C1CCC1	2021027049	NRQBBAYNJDIYND-WFASDCNBSA-N	229.367	4.555	0	10	BJAE	
CCCCCc1ccc(C(=O)C(C)(C)CC)o1	2021521317	XYUCFGGYALZTTM-UHFFFAOYSA-N	236.355	4.631	0	10	BJAE	
CCCN[C@@H](CCCCCC(C)C)[C@H]1C[C@@H]1C	2022268455	UIVCKSNQJARCRQ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC(F)=C2CCC2)CC1	2023187513	SIXGDFLOWPZBIH-LBPRGKRZSA-N	238.346	4.570	0	10	BJAE	
CCC1(NCCCCC(C)(F)F)CCCCC1	2023300224	UHHPJGDYMKRMTI-UHFFFAOYSA-N	247.373	4.514	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H](C)CC(C)C	2023340842	XQTBNHBKVLWKPL-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)[C@H]1CC[C@H](N)CC1	2023554113	XJNBGFBLAZCFCV-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NC)c1ccccc1	2026162286	AXIKWMOUZPPBTC-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
C=CC=CCC[C@@H](CC[C@@H](C)CCCC)NC	2026169461	IOJAXMCQJSLZMZ-HOTGVXAUSA-N	237.431	4.703	0	10	BJAE	
CC(C)=CCCN(C)C1CCC(C2CCC2)CC1	2027023521	IRQQCOJCDKBCDZ-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@]12CCCC[C@@H]1C2	2027314370	PGHHVLMIRPOOFQ-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@H](O)c2ccc(C(C)(C)C)cc2)CC1	2027726089	NQVRRFRDWBCJHY-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H](C)c1ccc2oc(CC(C)C)c(O)c2c1	2028129699	JZLQAVBRNNBXTF-LLVKDONJSA-N	246.350	4.850	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1ccc(C(C)(C)C)cc1	2028228825	CBFMHTSUEQEBLN-JKSUJKDBSA-N	248.410	4.700	0	10	BJAE	
N[C@H](CCCC1CCC=CCC1)c1ccccc1	2028869029	CHLPBIPXOSBDHB-QGZVFWFLSA-N	243.394	4.603	0	10	BJAE	
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CCCN[C@@H](CCC=C(C)C)c1c(C)coc1C	2035533463	KXXJOTSKNIXHRL-HNNXBMFYSA-N	249.398	4.684	0	10	BJAE	
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CC(C)(C)N(Cc1ccco1)C1CCCCCC1	2050701939	TUFQDABTTVTHAW-UHFFFAOYSA-N	249.398	4.603	0	10	BJAE	
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CN[C@@H](c1cc(C)c(C)o1)C1(C)CCCCCC1	2052468530	DWBIYFZXONNIMT-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]3C[C@@H]3C2)CCCCCCC1	2052500493	JKMOMDQHNAKMAF-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCN1CCC[C@@H](C2CCCCC2)C1	2059207055	LKFNZBGKTXXOBL-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)[C@H](C)C1CCCCC1	2060924191	CKJYLUVHRPAHRD-VBQJREDUSA-N	249.442	4.537	0	10	BJAE	
CC1CC([C@@](C)(N)C2=CC[C@H](C(C)(C)C)CC2)C1	2061116418	PWOYCBWLPAONIQ-QOOXBKGJSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC=C([C@@]2(N)CCCCCC2(C)C)CC1	2061117840	BVCQQWYAWZDFIW-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
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O[C@@H]1CCCCCC[C@@H]1CC1CC(=C2CCC2)C1	2061681597	AWJWWMHOBZCFEW-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
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CCc1ccc(CC)c(NCCC[C@@H]2C[C@@H]2C)c1	2062645618	GUMFCRIZHWEURZ-XJKSGUPXSA-N	245.410	4.660	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063407939	UEUOBWLEHHNFIN-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C(NC2CCC3(CCCCCC3)CC2)[C@@H]1C	2065897394	OLNSPJPPUJUMMF-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCCCC(C)(C)NCCCCc1ccccc1	2066383435	QAOXTRPVYGXOCK-UHFFFAOYSA-N	247.426	4.568	0	10	BJAE	
CCCC1(C[C@@H](N)C2(CC3CC3)CCC2)CCC1	2069510781	GMLSRGRZPSTZRS-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
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CCNCC1(C[C@]23CCC[C@@H]2C3)CCCCCC1	2070961630	DNNQMFVAFVAJIS-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
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CCCC1(C[C@@H](NC)C23CCC(CC2)CC3)CC1	2074654174	WBEXDELNELBIOQ-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC(CN(C)CCC2=CCCCC2)C1	2075144940	AOSORHUKZPFALG-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C[C@H]1C[C@@H]2CC[C@@H]2C1	2075568533	IZMSCDVMLHZKCY-ZOFXXKQRSA-N	249.442	4.501	0	10	BJAE	
CCN(C1CCCCCC1)[C@@H]1C=CCCCCC1	2076549729	XRRKEBNITAGRGG-MRXNPFEDSA-N	249.442	4.920	0	10	BJAE	
C[C@H](Nc1ccccc1C1CCC1)[C@@H]1CC1(C)C	2077263645	AIJATHUPWMQJQD-WFASDCNBSA-N	243.394	4.801	0	10	BJAE	
CC1(C)C[C@@]1(C)CNc1ccccc1C1CCC1	2077265373	QWQZOWPYJGRSMI-KRWDZBQOSA-N	243.394	4.802	0	10	BJAE	
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FC(CNc1ccc2ccccc2c1)=C1CCC1	2081677296	DOYWSZJREGQWHA-UHFFFAOYSA-N	241.309	4.659	0	10	BJAE	
CCCC1CCC(C=C(C)[C@@H]2CC[C@H](N)C2)CC1	2082163290	YAPNOHKURYEVOU-BACDZXNISA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1CCC[C@]2(CC1)C[C@H]2CNC1CCC1	2083186693	CEMMMAXABWEUKA-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc([C@@H](N)C2(C)CCCC2)c1	2083545119	GWRAHSXELABTOU-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2C[C@H]3CCC[C@H]2C3)CC1	2086162068	JOBKPFGVLHFESB-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1scc(C)c1C	2210579218	VQVOVVDLGZQCGX-OLZOCXBDSA-N	239.428	4.581	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1CC[C@H]1C	2211440581	VLNYEKZWKMLRIK-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](N)CC[C@H]1C[C@H]2CCC[C@H](C2)C1	2213297337	OKPCPDQLHWMLJX-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC(C)NCC1(CCCCCCC2CC2)CC1	2213575467	GEDDZQAZKJSBDY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CC1(C)CC2(CCC2)C1	2215463448	BBLODZCYZYRZQU-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@]1(CN[C@H](C)CC)C=CCCC1	2217125110	MTVYSGRAHAVTEY-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218333649	RQCAEPZVPPNQAE-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
C[C@@](N)(C[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218362186	UVPPXLJZYCIQAE-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)CC1C[C@@H]2C[C@H]2C1	2218724808	KKXNESYPHIWKAZ-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC=C[C@@](N)(CCCCCCC2CC2)C1	2218730279	HPAKBTLYMLUTQQ-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC1=CC[C@@](CNC2CC2)(C[C@H](C)C(C)C)CC1	2221658739	CIQKFEWVVCEWQQ-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
N[C@H]1C[C@H]2C[C@H]1C[C@@H]2CCCCCCCC1CC1	2223156857	BZBIVKGYZIHTKM-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CCC1(CNC2CCC2)CC=CC1	2223594979	AZTZTSKYXOJGHN-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@H]1CCCC[C@H]1C)N2	2224127345	ILRNZMRFQYSIOC-UKPHBRMFSA-N	243.394	4.548	0	10	BJAE	
CCCCc1ccc([C@H](O)[C@H](C)CCC)s1	2242605549	ZQRUMRVCDBSGPU-BXUZGUMPSA-N	240.412	4.560	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1CCC1(C)C	2243191826	BOEYVCQFKDGKMR-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)CC(C)(C)C	2243902102	JCYUNBQKGZHOQX-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1ccc(Cl)cc1C	2244781125	JBLJWMYOHLSWNI-FZMZJTMJSA-N	240.774	4.508	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC[C@@H]1CCC[C@@H](C)C1	2246656198	JQOKQFCVJBBJJI-ILXRZTDVSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@H]2CCC[C@@H](C)C2)C(=O)C1	2246696376	WYRXCYUMBUMQSG-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)CC(C)(C)C1CC1	2247164209	NCFDPJMEGGTHAL-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
Cc1csc(-c2cc(C=O)cc(C(C)C)c2)c1	2247238297	DCOCJOGCQGGGDT-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@@H]1CCC12CCC2	2247312209	FMNZEGJFNLSSAL-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C[C@@H]1CCC1(C)C	2247316681	ZCHWVPNERNQWOR-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCC1(C)C)C1CCCCC1	2247397905	IOAOODYNLRWERG-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@](O)(C[C@@H]2CCC2(C)C)CC1	2247415151	NELLWTIXPYKDJK-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)NCCCCC[C@@H]1C[C@@H]1C	2248869052	FQFUCFWSVPAWAV-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](Nc1cc(C)c(C)c(C)c1)C1CC1	2249491706	VOARCFFRQYDMLL-MRXNPFEDSA-N	231.383	4.602	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1(C)CCCC1)NCC	2250351895	HTVWONPJTFZYKT-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1C[C@H](C)C[C@@H](C)C1	2250361639	OQCROGASUVFTSN-NFAWXSAZSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CC[C@H](C)NC1	2250475944	MWWLRQSUZXSMIU-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)[C@H]1[C@@H](C)[C@H]1C	2250483411	ZQXHCXFBHUXMHN-HGTKMLMNSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)CN[C@@]12CCCC[C@H]1CC2	2251133324	GMOVEMVAHAXYRX-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
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C[C@@H]1CCC[C@H](CC[C@]2(N)CC[C@@H]3CCC[C@@H]32)C1	2253926428	ADEYGCJEQVUSOX-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@H](NCC[C@H]2CCC[C@@H](C)C2)CCC1	2253964314	UPGSBIVWWICCTL-KBRIMQKVSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](NCCCC[C@@H]1C[C@H]1C)c1ccccc1	2254503477	PVIADVXKNWKCIU-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2CCC23CCC3)CC1	2254983204	ZFHYEOZKJZIGHN-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCCCCN1CC[C@@H]1CCCC12CC2	2255259435	OJSAAOCRKRYGDL-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1C[C@H](C)CC[C@H]1C	2256142515	SOSJYVPVCPNHNA-LALPHHSUSA-N	249.373	4.625	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2CCCC[C@@H]2F)c1	2257956982	OMCGJODUCGOFLE-GJZGRUSLSA-N	249.373	4.677	0	10	BJAE	
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CCCC(C)(C)NCc1cccc(C(C)(C)C)c1	2261361614	GECKMAXEWIQYPM-UHFFFAOYSA-N	247.426	4.652	0	10	BJAE	
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CCC[C@H](CC)CN(C)[C@H]1CCCCC1(C)C	2307905839	ZVDHQKRYFDNYNP-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309183853	TZTQBYAWUUXBIA-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C[C@@]12CCCC[C@@H]1C2)C1CCCCCC1	2311146367	QCLHRRGWILCBBR-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@@]12CC[C@@H](Nc3ccccc3C3CCC3)[C@@H]1C2	2311331192	CIVPWYLZKQTZKZ-UAGQMJEPSA-N	241.378	4.555	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1C[C@H]1C1CCCC1	2311537478	QBQLYFQOSMQSQJ-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)C1	2312670386	NSTWOXVKDZYINV-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312944388	MRIUWMCLXSNMCB-AESZEHBQSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@H]1C[C@@H]2CC[C@H]1C2	2312959407	FBTBXJGEFJVSSS-BARDWOONSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CCC1	2313178519	YNQASAPKIVFZCI-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)C[C@@]12CCCC[C@@H]1CC2	2313320922	DAZNQFRPKFZSIP-ANQUJSFKSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](C)CC2CCC2)cc1	2313601288	XMEKZSBLWAEPHR-ZDUSSCGKSA-N	244.378	4.648	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C12CCC(CC1)C2(C)C	2313654392	ISYMDDPJPUZQSQ-MKQDKFQKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1[C@H](Nc2ccccc2C(C)(C)C)CC1(C)C	2318251602	AGWQYEMFTYXSNQ-IUODEOHRSA-N	245.410	4.831	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CC(C)(C)[C@H]2C)cc1	2318259195	PYPMJFWYKAXXES-WFASDCNBSA-N	244.378	4.675	0	10	BJAE	
CCN(CCCC1=CCCCC1)[C@H](C)C1CCC1	2318589557	RQNRELAFQCHZRL-OAHLLOKOSA-N	249.442	4.778	0	10	BJAE	
CCCC1(C[C@H](N)C[C@H]2CC[C@H]2C2CC2)CCC1	2319542264	ABUAVVHHPUWJSU-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2320260009	ZVPOFTQUFIGZSY-DZGCQCFKSA-N	244.378	4.640	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)=C(C)C1)C1(C)CCC1	2320390792	NGMANXSWQRYRKH-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1cccc(C(C)C)c1	2320512515	AJRSNLNAPOAURQ-QGZVFWFLSA-N	246.394	4.980	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)C)c1cccc(C(C)C)c1	2320514668	BUCJXRDKOAEPMG-WMLDXEAASA-N	247.426	4.753	0	10	BJAE	
CC[C@H](C)c1ccc(C(=CCCN)C(C)C)cc1	2320726190	IIUQKBWTCZKPBC-AWEZNQCLSA-N	245.410	4.588	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@](C)(O)[C@@H](C)C(C)C)c1	2327702058	UAXZCYJRGVVFAE-YOEHRIQHSA-N	248.410	4.618	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@H](C)CC(C)C)c1	2327793506	BWZHKFKCJIABFA-CQSZACIVSA-N	246.394	4.983	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1ccccc1	20566392	NDBXJOIZNNNALU-CABCVRRESA-N	231.383	4.703	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1c[nH]c2ccccc12	37361400	BVBOORWENAXCQC-LBPRGKRZSA-N	243.350	4.567	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H](C)C1CCCC1	71085686	QFJYIXKOQXXSRH-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CC[C@H](C)c1ccc(-c2csc(S)n2)cc1	71571060	OIQPDPKRAWSVAR-VIFPVBQESA-N	249.404	4.612	0	10	BJAE	
C[C@H]1CC[C@H](Nc2ccccc2C(C)(C)C)C1	80432671	ILMMKQQCIVPWDJ-STQMWFEESA-N	231.383	4.585	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC2(C)C)cc1Cl	86855658	DCQXKAOJZVQRGN-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC(C)(C)CC2)cc1F	86893960	NYQYPIXSJILWNX-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H]1CCCC(C)(C)CC1	86909372	WVNJVFXFXPMVBM-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](NC)C1CCC(C(C)C)CC1	87965424	DAPQYZNTQDRMRD-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CC)CCCCCN1	91874389	WJHMMHAZTLXFHJ-HZPDHXFCSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@@H](CC)[C@H](CC)c1ccc(CC)cc1	92596523	RGLKZVXKGXMELN-SJORKVTESA-N	247.426	4.521	0	10	BJAE	
C/C=C\C[C@@H](CC)c1ccc(OC)c(Cl)c1	107535841	YNNUPXCLAKPREO-VLWUPBBWSA-N	238.758	4.808	0	10	BJAE	
Cc1cc(C)c([C@H](O)CC2CCCCC2)c(C)c1	109786887	QOHKMOPIJAATDO-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCCC1CCCCC1	109898241	ZLSBLXONZDBRTC-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](C)(O)c1cc2cccc(C)c2o1	124509116	HXEBZMXIMQLYRE-INIZCTEOSA-N	246.350	4.529	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCC[C@@H](CC)C1	127910448	STLUXSYDEYMZHQ-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccsc2)c2ccccc21	136971869	YOVVOZQEUIGNRW-IAQYHMDHSA-N	243.375	4.799	0	10	BJAE	
CC(C)CCCCc1ccnc2ccccc12	145498374	HXZKIQVVQQIXAH-UHFFFAOYSA-N	227.351	4.604	0	10	BJAE	
CCCN[C@@H](CC1CC1)C1CCCCCCC1	159108733	RSSSIGXALZXCBU-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(C)cc1	159888594	NBMXUTSYLAHBBI-INMHGKMJSA-N	245.410	4.614	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCc2ccc(C)cc21	163409807	AKKDTMBLFOEYJU-PBHICJAKSA-N	245.410	4.541	0	10	BJAE	
CCC1CCC(C(=O)CCCC(C)C)CC1	165711879	CMWKNHOJJFDOPN-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CCCC[C@@H]1CC	166776136	QADFKZBEWYKHQS-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cc(Cl)ccc1C	168029376	BGFHLOPIARGSFU-SNVBAGLBSA-N	238.758	4.657	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CCCC2(C)C)C1	226788813	MZIPKTHFOZEQPK-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](NCC[C@H]1CCC[C@@H](C)C1)c1ccco1	226856751	XXALQYFOWSRINF-KFWWJZLASA-N	249.398	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCC[C@@H](CC)C1	226931593	NJLBIZMBLLEBOM-OAGGEKHMSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc(N)c(-c2cccc(C3CCC3)c2)c1	229614442	KTOFZOIPMQCQGF-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCC1(CN[C@@H](C)c2ccc(C)cc2C)CCC1	233083850	RIRAFTVBKJXSKS-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H](C)[C@@H]1CNc2ccc(C(C)(C)C)cc21	233848588	RNWMYSQWSRCANR-RISCZKNCSA-N	231.383	4.539	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C1=CCCCCCC1	234402979	CQOOHXGWAIPYMZ-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
C[C@@H]1CC(C(=O)C2(C)CCCCC2)C[C@@H](C)C1	235318435	WVSLQPFIFRJBAV-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](C)CCNC(C)(C)C)C1	251622106	LPFTVWKQJZBZIP-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)C1(C)CCCCC1	300245152	ODZDJWWLOUWEDK-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](N)(CC)CCCC(C)(C)C	300807790	FLTJMDMOICCVEX-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
CCCC[C@H](CCC)Nc1cc(C)c(C)cc1N	306018279	JELXWLCAJRYDBH-AWEZNQCLSA-N	248.414	4.656	0	10	BJAE	
CSc1c(Cl)cc(S)c2ccsc12	306612727	NCUDGABNVMNADH-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NC)C1=CCCCC1	308075609	KQFBOSDGLITYIL-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C1CCCCCCC1	309153129	VCHRBDXVLNDLLP-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)[C@@H](C)CC(C)C	310109127	OPVZZEGXMBLVTE-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(N[C@H](CCC(C)C)C2CC2)cc1F	310636777	ARCZITKGLAWINK-MRXNPFEDSA-N	249.373	4.761	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2cccc(C)c2F)C1	310718260	PDQQCOXLPHECNY-RISCZKNCSA-N	247.357	4.538	0	10	BJAE	
CC(C)[C@@H](C)CN[C@@H](c1ccccc1)C(C)(C)C	311210075	KWVHSGUTSJSQRF-HOCLYGCPSA-N	247.426	4.656	0	10	BJAE	
C/C=C/CC1(CNC(C)(C)C)CCC(C)CC1	318013243	WVWSNMBYUIYPFB-VOTSOKGWSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CNCCC)[C@@H](C)C(C)C	319271540	FFNGBJXEEUJCPS-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1CCCC1)NCCC	379819706	VJORWJQHZARPDK-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCCF)C[C@H](C)CC(C)(C)C	380011772	KYCANUJDIKJZTG-UONOGXRCSA-N	245.426	4.567	0	10	BJAE	
CCCC1(N[C@H]2CCCC[C@H]2CC)CCCC1	382252343	FCXBIWFNXLSOAP-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CC1CCC(C[C@@H](N)C2CCCCCC2)CC1	383685168	POHCVELYWARZDN-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](CN)[C@H](CCC2=CCCCC2)C1	384913749	DWTRUBHDHFBJHC-DJIMGWMZSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H](Nc1ccsc1Cl)c1ccco1	387220111	LHZQBDJJCRXSBD-MRVPVSSYSA-N	241.743	4.558	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@](C)(O)CCC(C)(C)C)C1	393956963	GWIRHFKUYQFQKK-ORIJERBGSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](N[C@H]1CCCC12CCC2)C1CCCCCC1	394745443	WFSYHWHDFNELPQ-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCCC12CCC2	394775996	DTTVHWZLSWOQLA-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
Cc1csc2c(C(F)(F)F)c(S)ccc12	396304956	OBVHSJUZEWZTLB-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CSc1cc2ccc(C(F)F)c(C)c2s1	396403677	ISCAFEZKOZFECA-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@@H](C)C(C)(C)C	399215216	RRIICJUOBZXLQI-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H](C)C(C)(C)C	399340921	ZSRUERBRBCBCLL-GFCCVEGCSA-N	232.367	4.504	0	10	BJAE	
CCSc1ccccc1N[C@H](C)C(C)(C)C	687710662	RWYGBCOTSCTDBB-LLVKDONJSA-N	237.412	4.645	0	10	BJAE	
CC1(C)CC[C@@H]1Nc1cccc(C2CCC2)c1	690110657	MJEHOMOXHHXGSE-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1CC2CCC1CC2	691720592	GKDXLGGNLYLCJW-GPANFISMSA-N	243.394	4.542	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCCC[C@@H]2C2CC2)c1	696104301	LFPBTZZYDOOQDY-CVEARBPZSA-N	243.394	4.684	0	10	BJAE	
CCC(C)(C)CC[C@@](CC)(CO)c1ccccc1	696802369	KKLPUCIXVGHIPS-KRWDZBQOSA-N	248.410	4.543	0	10	BJAE	
NC[C@H](CC1CCCCC1)C1CCCCCC1	696833886	WGJRVEMLULKHNI-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCC=C(C)C)C1	697863515	CCWSXBPHIZFDRG-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@]1(C)C[C@@H]1C	704382839	NBYLDFWTTQMDGM-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CCC[C@@](N)(C1CCCCCC1)[C@H]1CC1(C)C	704473473	KGXHPALZMPCIFX-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@H]1CC2CCC1CC2	704503762	LVTZJVXDSXAKEW-SSHXOBKSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(C[C@H]1C[C@H]2CC[C@H]1C2)C1CCCC1	704977126	YQIUHYVPMIIJTG-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CC[C@@H]2CCC[C@H]21	707855606	DFMUFNXDXXOPKJ-YWPYICTPSA-N	249.785	4.639	0	10	BJAE	
C[C@H](N[C@@H]1CCCC(C)(C)C1)[C@]12CCCC[C@@H]1C2	709155232	SECRPXICOQUZBG-KLZNWCGWSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H](C)CC(C)(C)C	709216421	BYCJMMMDLPSCHM-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)c1cscc1Cl	710451485	IOOIIZSYQYNCLG-GZMMTYOYSA-N	246.803	4.507	0	10	BJAE	
CC[C@H](N[C@H]1C[C@@H]2CCCC[C@@H]21)C1CCCCC1	712449386	FEWAOKHKMOWLFF-QAETUUGQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1C[C@H]1C1CC1)C1CCCCC1	712938256	YLSIUJJBGTZZIH-MJEQTWJJSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCCCC[C@@H]1C(C)C	713213063	YNESDIJEFRESJD-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
O=C(CCCC1CC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714482178	QQORHQDLTNOXIE-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
C/C=C/C[C@@H](CC)c1ccc(F)c(C)c1	714541544	VNQQZPHXKMMCIH-FVOPLDGLSA-N	206.304	4.594	0	10	BJAE	
CCCCC[C@H](CNC1CC1)C1CCCCC1	829256043	PLCCHBUXKKYDBP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NCC2CCC=CCC2)CC1	1179652651	XUKFBMBOPIEUMX-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1CNCCCC(C)(C)C	1620806979	GFNRQMZEZODLOK-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
C[C@H]1CCC[C@H](Sc2cc(F)ccc2F)C1	1652534410	CXMJFNPUZBDYHE-ONGXEEELSA-N	242.334	4.636	0	10	BJAE	
CC1=C(C)C[C@@H](CCC(=O)CC(C)C)CC1	1902829379	SGWYRYVGBWFLPW-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CC[C@@H](CC)C1	1905307070	QFSRSNCTOXCNLN-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
C=CC=CCC[C@@H](NCC)C1CCC(C)(C)CC1	1911820622	NRDQTHZYWBZMBU-MRXNPFEDSA-N	249.442	4.703	0	10	BJAE	
CC=CC[C@@H](CC)c1cccc(C)c1C	1912070169	ULFHUJVCXOLXTA-CQSZACIVSA-N	202.341	4.763	0	10	BJAE	
C=CC=CCC[C@H]1CCCC[C@@H]1CNCC(C)C	1912110921	AUAFHNAKGHCASM-DLBZAZTESA-N	249.442	4.561	0	10	BJAE	
CCCC1CC([C@@H](O)c2ccccc2C(C)C)C1	1921183704	DJGIDUXOTUZJKN-MQBCKMQZSA-N	246.394	4.670	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@]1(N)CCC2(CCCCC2)C1	1921540842	IVLZORZYIIBOQS-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)(CCC(=O)[C@H]1CCCC12CCC2)C1CC1	1921604690	KZLMCTGBDGMUDW-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H](C)C1CCCC1	1924139758	SIRMIPJEXRNGGD-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](NC[C@H]1C=CCCCC1)[C@H]1CC1(C)C	1925825663	ZJZWAGSJMAADQH-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@@H](Cc2ccc3ncccc3c2)CCCC1	1925829424	GSKKQSYRIKHECO-CQSZACIVSA-N	237.346	4.524	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@@H](CC(C)C)C(C)C	1936212607	OTBCMSKFEFNLNP-IHRRRGAJSA-N	226.404	4.556	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)C1=CCCCCCC1	1941250704	HTHRMXOZYIQTTA-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](C)[C@@H](CC1CCC=CCC1)NCC	1941795380	KOCQHVIBIXHIQA-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@@H](C)CCC(C)C	1942653527	RGJYTBMZLITJOH-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@]12CCCC[C@@H]1CCC2	1944233521	AQXJPPNJTMRCCG-CZUORRHYSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)C(C)(C)C1CCCC1	1944639583	GVZRQKBRUFYKND-ZFWWWQNUSA-N	239.447	4.602	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H]1C=CCC1)NCC	1947574900	CZLUNVZKQZSQMA-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	1948584372	DLCCPOPIIRDEDW-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@H](N)[C@@H](C)C(C)(C)C)C1CCCCC1	1948935136	SWQQFBRMTJUFON-GUTXKFCHSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](O)CCCC2(C)CC2)CC1	1950910485	GYIMMMPTGJPIHL-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)NCc1ccsc1C1=CCCCC1	1951233532	QZWMFQZBERFRGR-UHFFFAOYSA-N	249.423	4.594	0	10	BJAE	
Clc1cccc2cc(C3CC=CC3)oc12	1962072116	DXPFPVMPNQJLAM-UHFFFAOYSA-N	218.683	4.520	0	10	BJAE	
CCC1(CC)CCN([C@H](C)CCC(C)C)CC1	1963182114	ODQQGIKFWQFIJH-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCCCC1CC(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)C1	1970678280	GDXHOTFPVFWNPA-LHJGCZIBSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CCC1CCC1	1976930052	ZNHGEEUFUFJECX-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCCN(CCC(C)=C(C)C)[C@H](C)CC	1978896313	MGMIIDCDVKBMIE-OAHLLOKOSA-N	225.420	4.633	0	10	BJAE	
Cc1cc(N[C@@H]2CCCCCC23CC3)cs1	1985664506	IWIAQMVWHQFAKX-CYBMUJFWSA-N	235.396	4.581	0	10	BJAE	
CCCCC[C@](CC)(CNC(C)C)C(C)C	1986398673	CDBQTIBSLIFHLJ-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](CC1(CC)CC1)NCC	1990637962	NYQNUVIVAYHALV-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1C[C@@H]1CCC	1993073097	VKGCLPDKSPBSBX-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC1CCCC1	1995262548	OLWYNOGSRQAJFO-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)[C@]1(O)CCCC2(CCCCC2)C1	1996646158	RMVKZMPOGQNMAP-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H]([C@H](C)C(C)C)C(CC)(CC)CC	2000388267	RWBUQLJKDVAGIZ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)[C@H](C)NC1CC2(CCCCCC2)C1	2000673601	XMBIMJDIWPVAIP-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC([C@](C)(N)[C@H](C)[C@H](C)CC)CC1	2002925805	NRPGRGDYGKXWPT-BKAAIYKLSA-N	239.447	4.602	0	10	BJAE	
CC1(C)C(C2(N)CCCCCCCC2)C1(C)C	2003100005	PSKWFDUGJCQWLO-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CCC([C@@H](O)[C@H](C)CC)CC1	2003109040	RHADXBDSXYLFMS-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1CCCC2(CC2)C1	2003190519	JXAZKZZBLPFPLF-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CC(C)=CC[C@@H](N)C1CC(C)(C)CC(C)(C)C1	2004226023	LOSFNCYANYWPEN-CQSZACIVSA-N	237.431	4.523	0	10	BJAE	
CCC1(CC)CCC(N(C)CCC(C)C)CC1	2004362181	AHJLKTWEBCBOBV-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(CC)[C@H](N)C1(C)CCCCCCC1	2004922138	DSWTXXNIYKIUGX-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H]1CCCCC12CC2	2005593177	ZLXYICRSJLLNAT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC1CC(CC2(N)CCC(C)(CC)CC2)C1	2007739387	XTBOTALEZTVOOH-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@@](N)(C=C1CCCCC1)CC1CCCCC1	2007965489	DUSZUWRNCQFHGC-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H](C)CC(C)(C)C)CC1	2009404511	OCIUOUAYTRDAOY-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@](C)(O)[C@@H]1CCCC(C)(C)C1	2009595029	UYSUDWYSFUNNDE-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CC1=CC[C@H](C)CC1)CC(C)C	2010622903	GTKZBKBTSFGAHL-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@](C)(O)C1=CC[C@@H](C(C)C)CC1	2010716054	DGWYJMZGOJMQMY-ZBFHGGJFSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC[C@@]12CCC[C@H]1C2	2011012546	XSKVOUDDRVRYTN-BLLLJJGKSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CC(=O)CC(C)(C)C1	2012084726	QUPPPERFLPFVIE-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
CCNC[C@@](CC)(C[C@@H](C)CC(C)C)C(C)C	2012418144	ZMTRHBKGQFHKCG-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)C[C@@H](C)CC(C)C	2013236679	LBXKFAHUOIBQDF-HOCLYGCPSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(C[C@H](N)CC1CCCCC1)C(C)C	2015285090	SWHYWCNFDNFLIP-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C[C@@]1(C)C[C@@H]1C	2016311042	BZEGSEVXJDJGLQ-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@]2(C)C[C@@H]2C)cc1	2016411639	NBVWYEFJMKAUPU-XEZPLFJOSA-N	232.367	4.625	0	10	BJAE	
CC[C@H]1C[C@H]1CCNC1CCCCCCCC1	2016827335	RFDPPQGNJNLRAP-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C1([C@@H](N)C2CCCCCC2)CCC1	2017133804	XIXGSKUBWYSXDC-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@@H](C)C1CCCCC1	2019412887	DEQHIYNAYJVKHA-CABCVRRESA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@H](CC[C@H]1CC1(C)C)NCCC	2020973594	HCOYIZZIUBHXPC-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(Nc1ccccc1C1CC1)C(C)C	2021025924	GFSVWPBOUWXMRG-UHFFFAOYSA-N	231.383	4.657	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)CCC1CCCCC1	2022562206	YVCMYTHLNIRHKM-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2022993731	NZZUVXYJYGXZRC-PMPSAXMXSA-N	237.431	4.645	0	10	BJAE	
CCC1([C@H](O)c2ccccc2C2CC2)CCCC1	2028558351	VYOMXDXCAQKBTA-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCNC[C@]1(CC2CCC=CCC2)CC[C@H](C)C1	2028874252	NUOAKJIGOGEIMQ-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](c1ccccc1CC(C)C)[C@H](C)CC	2028914980	LHGZLTMTOJNDNP-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CC(C)CC[C@H](C)C[C@H]1CCc2ccccc2N1	2029820641	LQUNTMOYWKEOMH-GOEBONIOSA-N	245.410	4.876	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC1(C)C)C1=CCCCCC1	2032366619	UTQOBOWCHQLMAA-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C1(N)CC(C2CCCCC2)C1	2033788199	TYWLZJAUDXYJSH-PXZKZTPFSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@H]3CCCC[C@H]32)c1	2034264630	RKUASJQYKFCJCD-BZUAXINKSA-N	243.394	4.684	0	10	BJAE	
O=C1[C@H](CCC2=CCCCC2)C[C@@H]2CCCC[C@@H]12	2034267325	HONCDXSDEJMTSA-ARFHVFGLSA-N	246.394	4.662	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](NC)c1cccc(C2CC2)c1	2036356037	OSLFMSMJYLAMGD-AHIWAGSCSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1CC[C@@H]2C[C@@H]2C1	2037130673	PKZFEDBZXWXNPG-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)c1ccccc1)C(C)C	2038071521	IYCSLLOOXNQIDJ-RDJZCZTQSA-N	247.426	4.595	0	10	BJAE	
Cc1c(F)cccc1NC[C@H]1CC12CCCCC2	2039050309	HFXFZCYINFUXDW-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CCC(CC)CC1(CN)CC2(CC3(CCC3)C2)C1	2039459828	HVNGOXXNNTWLKS-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](CC1(C)CCCCC1)[C@]12CC[C@@H]1C2	2039751093	GFVKLOZOMYFQBO-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2C[C@@H](C)c3ccccc3N2)C1	2040165912	LKLHNDUKJNXOJT-APIJFGDWSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2c3ccccc3NC[C@@H]2C)C1	2040166086	MJAOEUCGOVRYMY-HOSILWTGSA-N	243.394	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](CNC2CC3(CCCC3)C2)CC1	2041374386	ABJZXPNVKBHTJO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]([C@@H]1CC=CCC1)[C@@H]1CCCC[C@H]1CC	2042024106	IQULBAIEJQVTID-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
Fc1ccccc1NC1CC2(CCCCCC2)C1	2046227532	ZWGPNYARKOWRSF-UHFFFAOYSA-N	247.357	4.741	0	10	BJAE	
C[C@H]1CCC[C@H]1CN1CCCC12CCCCCC2	2046562066	NNOWQTLPAHOQGJ-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CN(CC1(C)CCC1)[C@H]1CCC2(CCCCC2)C1	2046905149	FBZLXZUXUYXVTF-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
N[C@@H](C[C@@H]1CC12CCCC2)C1CCCCCCC1	2047021553	XRCPIAARRPDBTG-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
O[C@H](C[C@@H]1CCC12CCC2)C1=CCCCCCC1	2047945381	BOBJPSWOJHGLKG-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H](C)c2ccco2)CC1	2049418103	NQTBQVQTSXIZCB-HESLUPGFSA-N	249.398	4.535	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)C[C@H]2CC=CCC2)C1	2049539832	JPUSXRZMPUDTAR-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@@H]2C=CCCCCC2)C1	2049562348	XGVYRWANZODFHZ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
N[C@H](C[C@@H]1CCCC2(CC2)C1)C1CCCCCC1	2049855222	IYWHWYJYDVTEQF-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
CC(C)(CC(=O)C[C@H]1CCCC2(CC2)C1)C1CC1	2049931677	ZRJXOAWAKABZIT-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@H](N)CCCCCCC2CC2)cc1	2050431093	PEBNAWXUVHMRHQ-QGZVFWFLSA-N	245.410	4.745	0	10	BJAE	
CC1([C@@H](N)[C@H]2[C@H]3CCCC[C@H]32)CCCCCCC1	2052477615	GWXWANQDYYFTFF-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CCCCC23CC3)CC1	2053330182	ARHJFACQUQPORD-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCNC[C@@]1(C2CCCC2)CCCCC12CCC2	2053360771	RJFMESFVUWDFPB-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccncc1N[C@H](C)CCC(C)(C)C	2053853549	JXLPFAKDYNABQQ-CYBMUJFWSA-N	248.414	4.832	0	10	BJAE	
CCCCCc1ccc(N[C@H]2CCC[C@H]2F)cc1	2055274258	FKDLQEAEYZQUAQ-CVEARBPZSA-N	249.373	4.722	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2C=C(C)CCC2)CC1	2055548692	DEXLTDKACSWTKQ-BRWVUGGUSA-N	249.442	4.824	0	10	BJAE	
CC(C)C1CC(C[C@@]2(N)CCCC23CCCC3)C1	2056642265	HFFDGQNIAGHTGM-DQPZFDDXSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@H]1CCCCC1(C)C	2056879824	WZAVNVWFIJLZDB-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(NC[C@@H]2CCC=CCCC2)C1	2059484526	GSORHPJWRSWNLP-KLAILNCOSA-N	249.442	4.681	0	10	BJAE	
CC1([C@H](N)CC[C@@]23CCC[C@@H]2C3)CCCCCC1	2061574375	GUMSUCHGBCWMMO-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC(=O)C1CC(=C2CC2)C1)C1CCCCC1	2061734296	LVNQRKRJPQDYJE-LBPRGKRZSA-N	246.394	4.662	0	10	BJAE	
CCC(C)(C)C[C@@H](CC1CC(=C2CCC2)C1)NC	2061740043	UGMJVTWBUVVVRP-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCN1CCCC12CCCCCC2	2062630081	JVJVOGOLDHLSEC-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)C(=O)C1	2063523530	CSERYPMPUYVXGR-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C(=O)C1	2063539930	CSERYPMPUYVXGR-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H](CC)C1)c1occc1C	2063676971	DNFVQLCHKVMANR-ILXRZTDVSA-N	249.398	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@H]2CC(=O)CC3(CCC3)C2)C1	2063720408	IBQTZLQJAGOVCI-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CCC(N[C@@H](C)C2CC3(CC3)C2)CC1	2064496945	FUHWWCYFEFBKFU-JEYLPNPQSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)CCC(C)(C)C)n1	2066359849	TWTDIHWDLSDQOO-CYBMUJFWSA-N	248.414	4.832	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2C[C@H]3CC[C@@H]3C2)C1	2068701421	DKNWZYZUJNAAQY-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1[C@H](O)CCC(C(C)C)C(C)C	2068824298	YSALEWFTYXIVSC-QGZVFWFLSA-N	248.410	4.737	0	10	BJAE	
CN[C@H](CC[C@@H]1CC12CCC2)CC1CCCCC1	2069183419	SLUMRJUZWYOAOS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C[C@@H]1CC12CCC2	2069208684	RIGDUOGIDSLUDN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C1CCCC([C@H]2CCCN2CC2CCCC2)CC1	2071970000	YCRVCJIPIHXCLL-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
C1=C[C@H](Nc2cccc(C3CCC3)c2)CCCC1	2075371023	UHKRKHHGKROWLG-INIZCTEOSA-N	241.378	4.865	0	10	BJAE	
CCN[C@H](c1ccc([C@@H](C)CC)cc1)[C@@H]1C[C@H]1C	2079225836	YAICRLFAOSIYCQ-NSNWQYSKSA-N	245.410	4.507	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2C[C@@H]2C2CCC2)C1	2079438658	JCVSSJZUXMSSND-CBUUIXETSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1NC[C@H]1C[C@@H]1C(C)(C)C	2079622159	ZPVIPOHPRYHVNJ-CABCVRRESA-N	245.410	4.733	0	10	BJAE	
CCCN[C@H](CC)c1ccc(CCC(C)C)cc1	2082704928	RYLPIMJZYILEHN-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CC(CC2(N)CC3(CC3)C2)CC(C)(C)C1	2082976474	QXIFWHKXMBWLDA-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC=CCCCc1cc(C)c(Cl)cc1OC	2212640841	RMXKYXJWGLXIJE-UHFFFAOYSA-N	238.758	4.556	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1CCC1(C)CC1	2214997526	DHJMSHACJYYYCA-UHFFFAOYSA-N	247.769	4.793	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC[C@H](N)CC1CCCCC1	2215243914	GDJAPHOOSAVZOH-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC1(O)CCC(C)(CC)CC1	2215246811	FNTJRLTURFNZNM-FXQLRMTLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(CC1CC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218362208	VBTOUPVRNRRRFM-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CC=Cc1ccccc1	2219071344	NCMBWNSIZJWTLL-DOTOQJQBSA-N	246.394	4.523	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@H]1CC[C@@H]1C	2220517439	BHQOVZPMTNUXSP-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@@]1(C)CC=C(C)CC1	2221617878	DGTGSXZYZBDVMN-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)(CNCCC(C)(C)C2CC2)CC1	2221640795	PBRYUSIBQFHLKX-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2CC23CCCC3)CC1	2221640821	PHRORMJOQPORNP-ZBFHGGJFSA-N	246.394	4.662	0	10	BJAE	
CC1=CC[C@](C)(CNC2CCCCCCC2)CC1	2221644982	VTQMICLJSPCPPT-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)c1c(C)cccc1C	2222007249	RZDLXPQKQFWJOY-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
C[C@H](C[C@@H](N)c1cccc2ccoc12)C(C)(C)C	2224151813	WEAUZZHXIHONOO-BXUZGUMPSA-N	245.366	4.505	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(C)c(C)c(C)c1	2244256991	ZVUSIDMWWXPTSH-CYBMUJFWSA-N	219.372	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H](CC)CCC	2244785575	QTOZYIXDBWUGQK-KKUMJFAQSA-N	228.420	4.780	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CCC1CCCCC1	2244798870	CTFJKDLJPQXVCM-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)C(C)(C)C	2244836488	JUBDYQWKTKESDE-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)CCC(C)(F)F)C1	2246654414	AXRQLQVVIRTVNJ-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CC(C)NC[C@H](C)CCC[C@H]1CCC[C@H](C)C1	2246661108	WATOUOPHLSLSEX-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)N(C)CCCC[C@H]1C[C@@H]1C	2247165381	QVVXHPFJEIXAAC-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)c1csc(C2CC2)c1	2248070584	TZPJCPLENQYJFW-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@H]2CC23CCC3)cc1Cl	2248292095	QQKFDMJKVYIFLW-WCQYABFASA-N	249.785	4.639	0	10	BJAE	
CCCN[C@H](C[C@H]1CC1(C)C)[C@H](CC)CCC	2250353531	VQIAWTKNMNHHDH-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1C[C@@H](C)CCN1	2250477256	VSCBFOPQOBCMPQ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H]1[C@H](O)C(C)(C)CCC1(C)C	2251709567	YEUWLBCRXUKYQQ-STQMWFEESA-N	240.431	4.636	0	10	BJAE	
CC(C)CCN(CC(C)C)CC1(C)CCCC1	2252639358	FETZCTXUZKWKSE-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC[C@](N)(CC[C@@H]1CCCCC12CC2)C1CC1	2253841060	VHYJJICLQUMJQN-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCCCC12CC2)[C@H]1C[C@@H]1C	2253847822	BPTIEPPRXCHUAN-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC=C[C@@]2(C)CNC(C)(C)C2)C1	2253933568	DKFAWJXGYWFROQ-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H]1CNC2(CCCCC2)C1	2254503875	RLDFSLBBRTZFBG-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@H]1CC2CCC1CC2	2254610924	PQKHBEZCKZIHMA-WCMAUXFHSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC12CCC2)C1CCCC1	2255029096	QJDWFDWQVBHVEV-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc([C@H](O)CC2(CCC)CC2)cc1	2256311900	LCYTYAZOHMPJSX-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
C[C@@H]1CCC[C@@H](Oc2cccc3c2CCCC3)C1	2257479450	KRKNYPKISFAOJI-UKRRQHHQSA-N	244.378	4.523	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)c1ccc(CC)cc1	2259431857	YPSOUMZVJJPQKD-NVXWUHKLSA-N	247.426	4.726	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NCC)c1cc(C)ccc1C	2259451010	BKTWNKHWEWGAMP-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@]23CCCC[C@@H]2CC3)C1	2260581518	ZQQHAXVJJLVICS-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CC[C@](C)(C(=O)C[C@@H](C)CC(C)(C)C)C(F)F	2299830132	BBSDXSZQALOGNM-QMTHXVAHSA-N	248.357	4.699	0	10	BJAE	
CC=CCCCNc1cc(F)ccc1C(F)F	2300716925	WAEGSJWEXVZRAH-UHFFFAOYSA-N	243.272	4.532	0	10	BJAE	
CCNC[C@]1(CC=C(C)CC)CCC[C@H](C)C1	2300861503	SHFLNHOUKVYZRI-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC(=CC[C@@]1(N)CCC=C1C)CCCC(C)C	2300925113	ZJNVGXSQAOZWPR-INIZCTEOSA-N	235.415	4.587	0	10	BJAE	
CCCCCC[C@@H](N)[C@H]1C[C@H]2CCC[C@H]1CC2	2301023919	QWMBGYVRSBYMJO-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCCCN1CC1CCCCCC1	2301141150	WKDLBYGQHFXVES-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@@H](C)[C@H](C)C(C)C	2301825949	PIWHOOORLZCEJN-FZKCQIBNSA-N	241.463	4.719	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)CCC1CCC1	2302353091	BGAYCFVLXOEQLO-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CN[C@H](CCC[C@H]1C[C@@H]1C)CCCC(C)(C)C	2302608759	BDUZTPWZSPJBER-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@]2(C(C)C)C[C@H]12	2302889020	FXYNWVNTMUWJFI-UMVBOHGHSA-N	249.423	4.547	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC1(N)CCCCCC1	2303476220	FDCJRNGRDFRZAX-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1CCC(C)=C(C)C1	2303577846	UUJPQPWCTMOXEE-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C[C@H]2CC2(C)C)CC1	2303582014	DALRXYJRDXEURH-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)C(=O)C12CC(CC(C)C)(C1)C2	2304383746	HYFKJUULKVCHKA-JEYLPNPQSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@H](CC)CC[C@@H]1CCC(C)(C)C1	2304429593	YGYSFJRHGSSRTJ-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC[C@H]2CCC(C)(C)C2)N1	2304440714	VQBLNRYVCFUZPV-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccccc1CC	2307896737	XETJJNUFXGANEU-ZDUSSCGKSA-N	232.367	4.648	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C1(CC2CCC2)CC1	2307896788	XNXTVBNQLWEPQR-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
N[C@@H](CCCC1CC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309182827	WZXLMKJFHSHJCI-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@]1(C[C@@H]2C[C@H]2CCC)CC=CCC1	2311570330	ICKUXYQGIXFMBV-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@]12CCCC[C@@H]1C2	2312333651	URKFCJKIFVUCOV-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	2312524058	YQFVMQYMSHRFPY-HLLBOEOZSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313352865	DBEMBEAQSMKYQM-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCC[C@@H](C)NC1CC2(C1)CC21CCC1	2313561437	CCRXGBBVBFJQGQ-HPUBIQBYSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2313628948	NNRWPTQZBMXUMR-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(C[C@H]2CCN[C@H](C3CCC3)C2)CC1	2317003682	WPRAAASABDWGGD-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CC(=C1[C@@H](CN)CCCC12CCC2)[C@@H](C)C(C)C	2317820113	MHLFYXDFEMKELW-DZGCQCFKSA-N	249.442	4.524	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1C[C@H]1C1CCC1	2317934619	TWXMOJOUCGHUJE-WBVHZDCISA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CC1CC(=C2CCC2)C1	2318927754	KSJHTMHQDJZELN-IUODEOHRSA-N	246.394	4.662	0	10	BJAE	
CC1(CCN[C@@H]2CCCC[C@H]3C[C@H]32)CCCCC1	2319322296	CWTKVJLPCYFOBG-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CCCC[C@@H]3C[C@@H]32)CCC1	2319453034	CFFOBWVXTILNJL-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CNc1ccc(CF)cc1	2320308267	VCYVFMKSVRQGRK-HIFRSBDPSA-N	249.373	4.640	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CC(C)(C)C2(C)C)CC1	2320349389	YVEDTAWHQNICBU-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CC(C)(C)CC[C@@H]2C)CC1	2320387282	FOZPNDLJUZUYMW-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H]2CCC(C)=C(C)C2)C1	2320421468	BPCNAKFZEDKNOO-HWOWSKLDSA-N	248.410	4.908	0	10	BJAE	
CCC[C@H](CC)C[C@H](C)[C@@H](NC)c1ccccc1	2328278190	WQTQEXPRVXNFCG-YQQAZPJKSA-N	247.426	4.800	0	10	BJAE	
Cc1oc2ccccc2c1C(=O)C1CCCCC1	13586707	YYCGWGOHBVCWRJ-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CCC[C@@H](C)CNc1ccc(Cl)cc1Cl	20024434	BAIDYBVOOJPPAT-SECBINFHSA-N	246.181	4.842	0	10	BJAE	
CCCCCCN[C@@H](C)c1ccc(C)cc1C	21813282	QHGQBQFVYMIGBV-HNNXBMFYSA-N	233.399	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](N)c1ccc(C2CCCCC2)cc1	21815694	OBDIGBYQOIFCEV-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
Cc1ccccc1-c1ccc(C(=O)C(C)C)cc1	33466487	JLEFKXAOWBDNRB-UHFFFAOYSA-N	238.330	4.501	0	10	BJAE	
CCCCCCN[C@@H](c1cccs1)C(C)C	35046622	KXPHGBILKSDQSQ-CQSZACIVSA-N	239.428	4.615	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc(OCCC)c1	36995347	JNUUHAJAMOGTGY-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
CCCCCNc1c(Cl)cccc1Cl	41571462	YNOWRVSDZMGWEI-UHFFFAOYSA-N	232.154	4.596	0	10	BJAE	
CCC[C@H](CC[C@@H]1CCC[C@H](CC)C1)NCC	80410826	XNVGMYOTHXXXFD-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](NCCCCCCC(C)C)C1	80428997	BBOZGJWJMYFBFL-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccc([C@H](C)NC[C@H](C)C(C)C)cc1	81047324	UHAHQYVCUHGWAK-GJZGRUSLSA-N	247.426	4.582	0	10	BJAE	
CCCCC[C@H](O)c1c(Cl)cccc1Cl	83504696	YRJNTBSTSCZWLW-NSHDSACASA-N	247.165	4.607	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CC[C@H](C)[C@H](C)C1	85038058	DMAMDLOEJLRFLJ-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
Cc1cc([C@H](C)Nc2ccsc2)c(C)s1	85528784	DHANJHJIBIGGDB-VIFPVBQESA-N	237.393	4.600	0	10	BJAE	
CCCCCC[C@@H](O)C1CCCCCCC1	87690133	UXFXPHCACSYHJV-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CC[C@H](C)[C@]1(O)CCCC[C@@H]1C1CCCCC1	93187615	VRRXWEVXHFCJBB-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CCCCCC(C)(C)CNc1cccc(N)c1C	94983650	KMTLBFXXJMJDJU-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1ccccc1C	109709211	QGACRIUKRCTQNE-AWEZNQCLSA-N	232.367	4.784	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)C1CCCC1	109764126	UIEGVXOZBLTNKK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc(OCC(C)C)c1	109905372	HCXAWUJDOKNBCK-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
CCCCC[C@@H](C)NCC1CCC(CC)CC1	109917894	SQIGQGSDQOACME-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CC1=C(C)C(Cc2ccccc2)C(C)=C1C	115204940	IWOOLOIHGCKENT-UHFFFAOYSA-N	212.336	4.532	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H](C)CCC)NC	126042894	UTICBKHXGJVUSG-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CN[C@H](c1ccc(C2CCC2)cc1)[C@H](C)C(C)C	128759359	FAXBERRCJVLSCF-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)C1CCCC1	133181373	XNOXTCGLKBUBPN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(-c2cccc3ccccc23)c1	139333611	JRIIMAJKKWUVKY-UHFFFAOYSA-N	218.299	4.815	0	10	BJAE	
CC(=O)c1ccc(-c2ccc(C)cc2)cc1Cl	158031145	CHKOXQYKYRSXGC-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CCCC[C@@H](CC)C(=O)Cc1cc(C)cc(C)c1	164177932	JSVHZNPVGFPBFV-MRXNPFEDSA-N	246.394	4.631	0	10	BJAE	
CCCC(O)(CCC)c1cccc(CC(C)C)c1	165411898	YDQZIWLQINHLHZ-UHFFFAOYSA-N	248.410	4.673	0	10	BJAE	
CCC[C@H](NCC)[C@@H](c1ccccc1)[C@@H](C)CC	167347112	KPGUYGKZZRZHPR-BHYGNILZSA-N	247.426	4.595	0	10	BJAE	
Cc1cc(C)c(Sc2ccccc2)cc1C	197464676	AETVHNBLIQDVFO-UHFFFAOYSA-N	228.360	4.763	0	10	BJAE	
Cc1cc(N[C@H]2CCCC[C@H]2C(C)C)ccc1F	214596961	KAQIKDFXEDARMR-HOCLYGCPSA-N	249.373	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CC[C@@H](O)c1ccccc1	227236931	OWBWNJGLODMOBE-ZMSDIMECSA-N	246.394	4.717	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@@H](C)C(C)C)c2c1	232845157	SHRNINPGKOXWQJ-LBPRGKRZSA-N	215.340	4.544	0	10	BJAE	
CCC[C@@H](C)C(=O)c1ccccc1C(C)(C)C	233272576	JVWUXSYPOXWEDT-GFCCVEGCSA-N	232.367	4.603	0	10	BJAE	
CC[C@H](C(C)C)[C@@H]1CNc2c(Cl)cccc21	233990658	QWVUJBSLQLIDNV-PWSUYJOCSA-N	237.774	4.531	0	10	BJAE	
CCc1ccc(NC[C@@H]2CC(C)=C[C@@H](C)C2)cc1	234155448	WWUOZZRUHGDIOJ-CJNGLKHVSA-N	243.394	4.653	0	10	BJAE	
CSc1cccc(N[C@H]2CC(C)(C)C[C@@H]2C)c1	235100756	METWGQCPQOAHFR-FZMZJTMJSA-N	249.423	4.645	0	10	BJAE	
C[C@@H]1CC(c2ccc3c(c2)NCCC3)C[C@@H](C)C1	235375830	MAFMGFDUPQAULQ-STQMWFEESA-N	243.394	4.584	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCC[C@@H](C)CC2)C1	251769078	MHZJRLLZCQFHPX-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1O[C@H]1C[C@H](C)c1ccc(C(C)(C)C)cc1	251772075	WCALPAXQKVTHDS-RCBQFDQVSA-N	246.394	4.655	0	10	BJAE	
CC(C)[C@@H](F)c1ccc(C(C)(C)C)cc1	260635259	UTKUDRYJGKQUAZ-CYBMUJFWSA-N	208.320	4.651	0	10	BJAE	
CCC[C@H](C)[C@H](CCCC(C)(C)C)NCC	300964627	YWRCSVDHUSVGFC-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCNCCC(C)(C)CCC1CCCCC1	302237040	ASHHZXCJZAWONG-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCc1cccc(C(=O)C(C(C)C)C(C)C)c1	302605098	WZXZZTBAECMQHU-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@H](C)C(C)(C)C	304303343	PGROAXYQSGTEDY-NSHDSACASA-N	239.790	4.743	0	10	BJAE	
CC(C)C[C@H](C)n1ccc2ccc(Cl)cc21	304527001	PZPGJCUTVOPBMN-NSHDSACASA-N	235.758	4.902	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1F)c1ccccc1	306037283	XTKZCZVBVKZIFJ-CQSZACIVSA-N	243.325	4.697	0	10	BJAE	
Fc1cc2c(C(F)F)cc(Cl)cc2s1	306815382	BYNYQTPSNDDYAI-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1cccc2c(Cl)c(Cl)sc12	307355298	YFTRABMBAGYXPX-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](CCC)CC(C)C	308042232	CISLZZBNQMUTPA-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)c1cccc(C)c1C	308068744	ZSPSFCCKANGKSC-RDJZCZTQSA-N	247.426	4.766	0	10	BJAE	
CCc1ccc2nc(-c3cccs3)sc2c1	309331373	WHXUDDXMDBPUDE-UHFFFAOYSA-N	245.372	4.587	0	10	BJAE	
CCC[C@H](Nc1cccc2ccccc12)C1CC1	310712205	LLSKTUPAPRPRQG-INIZCTEOSA-N	239.362	4.830	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC[C@H]1C)C1CCCC1	313459694	FWXXUYJYMPIFAQ-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CNC[C@]1([C@@H]2C=CCCCCC2)CCCC[C@@H]1C	316836690	CXRFOMDLZMISNE-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC[C@@](C)(C/C=C\c1ccccc1)CNC(C)C	317547362	XPNVXEOWPRRMJD-GKUQOKNUSA-N	245.410	4.504	0	10	BJAE	
CCC1(CC2(CNC3CC3)CCCCC2)CCC1	317825435	VLURYCFOQJHDDL-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
Cc1cn(CC/C=C/c2ccccc2)c(C)c1C	323686401	IDVRDYSXXIVGLD-YRNVUSSQSA-N	239.362	4.517	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@@H]1CCCC12CCCC2	328096261	JXLRUQHQIHAEOP-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC23CCCC3)ccc1F	328159627	HQOCSJXRBDHQJE-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)CC(C)(C)C)s1	384678354	ZWXYGJASSVURNW-PWSUYJOCSA-N	239.428	4.532	0	10	BJAE	
CCc1cccc(NC[C@H](C)C2CCCCC2)c1	386480130	IFWGKRFZKWUDBC-AWEZNQCLSA-N	245.410	4.877	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1C)C1CCCC1	387702916	XMYQIRUMGXUYSX-HNNXBMFYSA-N	231.383	4.684	0	10	BJAE	
Fc1ccccc1NCCC1CCCCCC1	394542410	VEEKRDFVMNQWEZ-UHFFFAOYSA-N	235.346	4.598	0	10	BJAE	
CCC[C@@](O)(C[C@H](C)CC(C)C)C(C)(C)C	395322215	MPSFZHSOAVBDNO-UKRRQHHQSA-N	228.420	4.636	0	10	BJAE	
CCc1cc2cc(F)sc2cc1C(F)(F)F	396307844	ZQEFQJCNIMCRCH-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@]1(C)C[C@H]1N[C@@H](C)c1ccc(C(C)C)cc1	397244782	AJCKISLUQRCWNN-IAOVAPTHSA-N	245.410	4.649	0	10	BJAE	
CC[C@]1(C)C[C@@H]1N[C@H](C)c1ccc(C(C)C)cc1	397244785	AJCKISLUQRCWNN-XOKHGSTOSA-N	245.410	4.649	0	10	BJAE	
C[C@H](C(=O)CCC1CCCCC1)C(C)(C)C	399120021	LLRMIUBJZOBCBI-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(C(=O)CC2(C)CC2)c2ccccc12	401366508	JBNSXVAKHUKOIB-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
CCC(C)(C)CCN[C@@H](C)c1sccc1C	686311984	NWBMZDXUPOFCTP-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCC1([C@H](O)c2cccc3ccsc23)CCC1	687584682	DWIOQTLJYCNHGJ-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
C[C@H](CC1CCC1)Nc1ccc(C2CC2)cc1	690079935	WGEGJZRZGGSYSR-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CC(C)CNCC1(CC2CC=CC2)CCCCC1	692073224	LOAGNYKGEVZDHV-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)CC/C(C)=C/CCNC(C)C	696799922	PCORQDLORSXOCF-NTEUORMPSA-N	225.420	4.537	0	10	BJAE	
CC(C)=CCCNc1cccc2ccccc12	697745437	XIMNOIJAERTMHY-UHFFFAOYSA-N	225.335	4.608	0	10	BJAE	
CC(C)=CCC[C@@]1(CNC(C)C)CC[C@@H](C)C1	698054467	OOLQCQAESVXUER-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C(C)(C)CC)C(C)(C)C(C)(C)C	701132006	OUHHUJOZIOZSSE-CYBMUJFWSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CC(C)(C)C1CC1)C(C)(CC)CC	701252266	PPFAETUFNVNXBQ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C1(CNC(C)(C)C)CC=CC1	704854499	KEHOEBADIIGJRL-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@@](C)(N)CC1CCCC1	704912033	GRTKNHUNQZPHOJ-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@@H](CCCCF)[C@@H](C)CC(C)(C)C	708295661	DWRHKDHCZABXPC-KBPBESRZSA-N	245.426	4.567	0	10	BJAE	
C[C@@H](C[C@@H](C)CC(C)(C)C)[C@@H](O)c1ccccc1	709077100	QVMTYDYQHQTJSI-IJEWVQPXSA-N	248.410	4.819	0	10	BJAE	
CCc1cccc(NC[C@@H](C)CC(C)(C)C)c1	709101530	JUTGLNMZUGJPRJ-ZDUSSCGKSA-N	233.399	4.733	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)C(C)(C)C)CC(C)C	710767389	PZNZXHAILFQJQB-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CCC[C@H](N)c1ccccc1)C(C)(C)C	711221066	ZXGQAEBPRCWLOS-ZFWWWQNUSA-N	233.399	4.539	0	10	BJAE	
CCNC[C@H](CC(C)(C)C)C1CCCCCC1	713176097	UYOWJUVFTDAVLK-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CC(C)(C)C(C)C)C1	713230033	QIZJQNUKGFLAAG-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)[C@H]1CC[C@H](CC)CC1	713732785	VMJWWZDJXYGWPS-IHGMSIMLSA-N	249.442	4.703	0	10	BJAE	
CC(C)=CCCc1cc(C)cc(C(C)(C)C)c1O	718629333	QGLXXNSPQMDBSN-UHFFFAOYSA-N	246.394	4.897	0	10	BJAE	
CC(C)=C(C)CCc1ccc2c(c1)OCC2(C)C	718697256	CXDYNHOKYOURID-UHFFFAOYSA-N	244.378	4.646	0	10	BJAE	
Cc1cc(N[C@@H]2CCCCCC2(C)C)cs1	719201074	YMJZDWQVFYGORV-CYBMUJFWSA-N	237.412	4.827	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCCCCC1(C)C	719220920	LUAPTBRFSKNGBO-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCCCCC2(C)C)o1	719260887	OAKHAUQWEMQJKB-DZGCQCFKSA-N	249.398	4.598	0	10	BJAE	
CC[C@@H](CC1CCCCC1)Nc1ccc(F)cc1	720942285	DPGQGPGGGWWWRV-HNNXBMFYSA-N	249.373	4.987	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C1CCCC1)C1CC1	723959404	QXKLMGKVFUCKFX-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@@H]2CCC=CCCC2)[C@@H]1C	1462658912	MRSFYQCLZQBECP-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1ccc(C)c(F)c1	1656859510	DCXKYEFNORHFLT-SWLSCSKDSA-N	247.357	4.538	0	10	BJAE	
CC1=C(C)C[C@H](CCC(=O)CC(C)C)CC1	1902829378	SGWYRYVGBWFLPW-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C[C@H](C)C(C)(C)C	1905448753	ZBFBZEPGYKNBML-IHRRRGAJSA-N	227.436	4.602	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C2(N)CC3(CCCCC3)C2)C1	1912725951	FSZMYYNLJFSURT-FICVDOATSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@](O)(CC)CCCC(C)(C)C	1919503552	AVHKKCSKDWTQRV-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
CCCC[C@](O)(CC)CC(C)(C)c1ccccc1	1919506529	CCZKSANRYWSYIE-QGZVFWFLSA-N	248.410	4.686	0	10	BJAE	
CCCC(O)(CCC)CCC[C@@H]1CC1(C)C	1935923268	GUDFPBJWHNZFAW-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(OCCCC2(C)CC2)c(Cl)c1	1936604754	KXIQJSFREOYZNW-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CC1CCC([C@@H](O)CC2(C)CCCCC2)CC1	1940407128	IHYCOLBDJMDEOR-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CC1CCC(C)CC1	1941249813	BTHRRMYJKRFKOJ-CKUJCDMFSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(O)CCCC1CCC1	1941469826	IOXQQELMOABZIA-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(COc2ccc(C)cc2Cl)c1	1941870346	NBFOWOJUGPNONE-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)C[C@@H]1CCC[C@H]1C	1944837784	VHTHKKUZOKNTTL-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H]1CCC[C@H]1C)NCC	1944845903	LGHLZAZMTATTPM-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1(C(=O)[C@H]2CCC2(C)C)CCCC1	1945752658	HGNLJLPHSVNMFD-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(C(=O)[C@H]2CCC2(C)C)CC1	1945756977	PKWQQCQLZHHYCC-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC2CC(CC)C2)CC1	1947035953	VRKOIJYLQDTZDY-LVDPKSTMSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cc(C)cc(F)c1	1947456797	DRRQAWBPBBTYSN-WFASDCNBSA-N	235.346	4.515	0	10	BJAE	
CN[C@@H](CC(C)C)C1CCCCCCCCC1	1947878686	KNTZDDQRPYYPQE-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@@H](C)C1CCCCC1	1948324506	AKQNUDIMWRPEPU-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)[C@H](C)CCC(C)C)C1	1949080358	NZQBXHDCAVSDRV-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCC1(C(=O)c2ccc3sccc3c2)CCC1	1951236246	HOWWIXGAJUSDMR-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CC1(C)CC[C@@H](CN2CCCC23CCCCC3)C1	1962983686	GYWJWRGQLBPYDE-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CC(NC2CCC3(CCC3)CC2)C[C@H](C)C1	1965978974	SHWWSDBGQGJIPZ-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(CN(C)c2ccccc2)CC1	1968245472	DXWJPABBFILIQT-UHFFFAOYSA-N	245.410	4.729	0	10	BJAE	
Cc1ccc(NCC2C[C@H](C)C[C@@H](C)C2)c(C)c1	1968254572	JLKDVUHZXJBJEG-ZIAGYGMSSA-N	245.410	4.788	0	10	BJAE	
CC(C)c1ccccc1NCC1CC2(CCC2)C1	1968298271	CEFKFZVGZWHKEB-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CCC[C@H]1CN[C@@H]1CCCC2(CCC2)C1	1970016688	VZNYCSXCRYTVHQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCN1CCCCC12CCCCC2	1972913119	USAKGKVMSCVPNG-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCC1(C[C@@H](O)C(CC)(CC)CC)CCC1	1985600768	GUUINVSXROBHBG-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](O)CC1(C(C)(C)C)CCC1	1989439675	HGSYYRUTJCPYET-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC(C)(C)CC	1995261305	CXHMJGVORYNAGE-KGLIPLIRSA-N	228.420	4.780	0	10	BJAE	
CCC1CCC(Nc2c(C)cccc2C)CC1	1995666672	LDQYZPIWRFMVOR-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
CCCc1ccccc1-c1cccc(O)c1Cl	1996256181	ZUMPQJBUQCJQRK-UHFFFAOYSA-N	246.737	4.665	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@H]1CC[C@@H](C)C1	1996259948	LIANBEOOFYGRLI-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)[C@]1(C)CC=CCC1	1997554790	UUJWSNWFCMUMAM-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
Cc1ccccc1NC[C@@H]1CCC=CCCC1	1999992391	GOXAUDWPWPMYEB-OAHLLOKOSA-N	229.367	4.543	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC[C@H]1CCC=CCCC1	1999996736	RIVOOHAYNBNIMH-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1[C@H]2CCCCC[C@H]21	2002206737	FHKPPPWKCATXLD-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](N)(CC)CC1[C@@H]2CCCCC[C@@H]12	2002206739	FHKPPPWKCATXLD-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC(N)(CCC)CC1[C@@H]2CCCCC[C@@H]12	2002210587	CYULOFARUVRFLF-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](O)(CC)C[C@@]1(C)CCCCC1(F)F	2002585372	AMYUMCKMQNMBCP-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCC(C)(CC)[C@](C)(N)[C@H]1CCCC(C)(C)C1	2003014751	BWHQCPJDQRMLHW-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCCCC[C@H]1N	2003101790	VPLHILQDRUYZSR-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@]12C=C[C@@H](CC1)C2	2003328920	HHVCMNJBHUFEAH-HOCLYGCPSA-N	234.383	4.518	0	10	BJAE	
CCCC1CCC([C@](C)(N)CC=C(C)C)CC1	2004224558	CRBFERNIDBFFCD-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H](N[C@@H]1C=CCCC1(C)C)c1cccs1	2006903099	XJVDHVSCIICBHK-TZMCWYRMSA-N	249.423	4.534	0	10	BJAE	
CC=CCCC[C@H](CC1=CCCCC1)NCC	2009594108	DVJNYVUTPYYYJE-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
C/C=C/CCC[C@]1(CNC(C)C)CCC[C@H]1C	2009629755	USWQBXICJAJKEO-DOOVEFGSSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@H]1CCCC(C)(C)C1	2009634670	IIWAHOIVJXPXLA-ICWYTKJFSA-N	237.431	4.537	0	10	BJAE	
CCCC1CC(Nc2ccc(C(F)F)cc2)C1	2009715397	DXDYSJFZQWRWCR-UHFFFAOYSA-N	239.309	4.615	0	10	BJAE	
CCCC[C@@](N)(CC)CCC(C(C)C)C(C)C	2015348826	YTWYTBOTPWEJAR-INIZCTEOSA-N	241.463	4.993	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC2(CC)CCC2)CC1	2015594259	HNBMDBSCPHCOFN-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2[C@@H](C)[C@H]2C)cc1	2016288222	ZMQQAFVYMNWETQ-BCUIYNNISA-N	231.383	4.514	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@]2(C)C[C@@H]2C)CC1	2016455847	JTLXSGVHBZPJCQ-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2CC=CCC2)CCC1	2017126149	XJYNKSDTMFIYRV-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)C1([C@@H](N)CCC2CCCC2)CCC1	2017133143	NOQOPRFYVSTZQU-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC1(C(C)C)CCC1)[C@H](C)CC	2017140990	LXMHBPPVTKIXML-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CN(C)C1CCCCCCCC1	2017468506	JGFXLRWIWVUAIB-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CCC[C@H]1CC[C@H](CCCC(=O)C2CC2)CC1	2017773747	FLABXLCITQZQPD-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCC1CCC(CC(=O)CC(C)(C)CC)CC1	2017778022	VQBHEPNJZAHCSY-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](CC)c1occc1C	2018082831	MMUOERGFSCORAY-KGLIPLIRSA-N	237.387	4.598	0	10	BJAE	
CCCCC[C@H](CC)NCC1CC2(CCC2)C1	2018139031	NROPRYUPBYYPOJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC2(CC)CC2)cc1	2018910025	HBIIMLFYEBOIRS-CYBMUJFWSA-N	232.367	4.769	0	10	BJAE	
CCCC1(C[C@@]2(CN)CCC[C@@H](CC)C2)CC1	2018974221	KIEWAVYGGBCXSX-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC(C)CCCC(=O)[C@H]1C[C@H]1C1CCCCC1	2022416740	GBWJSTZXGABUIS-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(OCC=C2CCC2)cc1	2023195504	QSKYVXXYFOOHAV-ZDUSSCGKSA-N	230.351	4.689	0	10	BJAE	
CC1(C)CCC[C@H](C[C@](C)(O)CCC2CC2)C1	2024121541	DXKUUHBZVYRRTN-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CC(C)(C)C(C)C	2027518414	QVLLELVIJRBWQE-MRXNPFEDSA-N	247.426	4.882	0	10	BJAE	
CCC[C@H](C(=O)c1c(C)cc(C)cc1C)C(C)C	2028254162	DIMCPLSLRPRUPF-HNNXBMFYSA-N	246.394	4.867	0	10	BJAE	
C1CCCC([C@@H]2CCN2CCC2CCCC2)CC1	2031762590	SXRUJNNXAOIZDW-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C(=O)c1ccc(F)cc1)C1CCCCC1	2032306628	RSBGOARWYSYHOT-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CCC(C)(CC)[C@@](C)(N)c1c(C)cc(C)cc1C	2037217119	YMZUTINDCYPMFW-KRWDZBQOSA-N	247.426	4.612	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1CCCC1CCC1	2037222786	CESZSGMYMGPDOF-HIFRSBDPSA-N	243.394	4.802	0	10	BJAE	
CCCC1([C@H](N)[C@@H]2CCC3(CCCC3)C2)CCC1	2037703008	MQYCTBBNVCMBTD-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2CNC3(CCCCC3)C2)C1	2037720580	JJFNAQGVICZKHP-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2CC3(CCC3)C2)CC1	2038090920	WRQOFZDVVLOXFA-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@@H]1CCC2(CC2)C1	2038567100	HPKSZRMHYPKUSK-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNC1CCCCCCC1	2039454193	YUVCKAWOTSZJQE-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@@]2(C)CC=CCC2)c1	2042072014	LVUQBYHEDFPVGM-SJORKVTESA-N	244.378	4.590	0	10	BJAE	
CC(C)(C)C1CC(C[C@@]2(N)CCC=CCCC2)C1	2043007783	VYVUKJBPGYFEIS-VMBOVVBDSA-N	249.442	4.667	0	10	BJAE	
C[C@H](NCCCC1CCCC1)C1CC2(CCC2)C1	2043546367	HUEJROREYAAVMQ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(C[C@H]1CCC=CCCC1)[C@H]1CC1(C)C	2045305818	SQFIGXSTDBJHOK-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2CCC=CCCC2)CC1	2045318597	WTXXCSSOSZZIDU-IXDOHACOSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@H]1C(C)=CCC[C@@H]1C	2045747986	JHIZZYOUNCWZSG-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H](NCC)c1ccc([C@@H]2C[C@@H]2C)o1	2045763015	FLBAOMMZTOJMLZ-MJBXVCDLSA-N	249.398	4.634	0	10	BJAE	
CCCN[C@@H](C1CC1)[C@@H]1CCCCC12CCCC2	2048117148	DIBJIFKHEOPUMB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@]1(C[C@H]2[C@H]3CCCC[C@H]32)CCCCCN1	2048451998	XTXXROXFHMTHGR-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1CCC2(CCCN2)CC1	2048950970	RRYHECCLMDTZRU-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@@H]1CCC2(CC2)C1	2049848385	IRJNIYSIEWHZDM-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@H]1CCC2(CC2)C1	2049857626	NIIZEGJUSNEUHD-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@H]2CCCC3(CC3)C2)[C@H](C)C1	2049947058	CNAAIQDDUOCJAH-GBJTYRQASA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@]1(C)C=CCCC1	2049997780	QAWCONUKIQJOLY-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CC1(CNC2C[C@H]3CC[C@@H]3C2)CCCCCCC1	2052512765	LJALMLWZARVVMP-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(CC2CCCC2)CCCC12CC2	2053362681	XXIFAGFZPSUNCV-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C2(C)CCC3(CC3)CC2)C1	2056535608	GHWMHBHIFUBPGX-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](C=C2CCCCC2)NC)CC1	2056873037	JRJKFQXOEVMJGY-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H]([C@@H]2CCC3(CCCC3)C2)CC1	2059003644	PRYGBNQJJDEKIK-RRFJBIMHSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CCCC12CC2	2059255951	LKPVBYDJAOCLNB-TVKHYIBRSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@H](C)c1ccccc1)NC	2059262215	KNSUYLLFPHQEME-SBXOADHZSA-N	245.410	4.515	0	10	BJAE	
CCCCCC1CC(N[C@H]2C[C@H]2C2CCCC2)C1	2059394939	DEZAJYRRHFBCCI-KMZOKZLKSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2061116361	PMHSUQOEBWYMLI-DTZQCDIJSA-N	249.442	4.523	0	10	BJAE	
c1ccc(C2CC2)c(CC2CC(=C3CCC3)C2)c1	2061726808	UPCOXULOTLVALL-UHFFFAOYSA-N	238.374	4.997	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCCCCC23CC3)[C@@H]1C	2062016043	CZIBTMICGPMJPW-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@H]1CCCCCC12CC2	2062021782	XVOQZVRYZFUFND-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNc1cccc(C2CCC2)c1	2062645718	HNXAXMRXWHHJDX-ZFWWWQNUSA-N	243.394	4.802	0	10	BJAE	
CCN[C@@H](C[C@H]1CC12CCC2)C1(CC)CCCC1	2069197341	NTGKWWZMNGXSMQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN2CC=C(C(C)(C)C)CC2)CCC1	2069283843	VGQZMQSOKDETCF-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2C(C)=CCC[C@@H]2C)CCC1	2069289673	MIOFZRGHXGIZAI-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c(C(=O)C2(CC(C)C)CC2)c(C)c1	2069467128	CPDOSMNITVFCNI-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CC1(C[C@H](N)C2(CC3CCC3)CC2)CCCCC1	2069564554	UNIXTVNCCKEKQZ-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C[C@]23CCC[C@@H]2C3)C1	2070927797	WAJJHIMOYNBVKR-XOSAIJSUSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(CNC[C@H]2CCC=CCCC2)CCC1	2071927435	ADXPKKGXNHKRAI-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)c2cc(C)oc2C)CC1	2072695563	IBMQWKWMCGRUJX-HDJSIYSDSA-N	248.366	4.686	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@H]2C[C@H]2C2CC2)CC1	2079324331	MYECDJMRUFIUSG-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1C[C@@H]1C1CCC1	2079347403	YPEBYFSPJNSRFQ-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H]2C[C@H]2CCC)cc1	2079491592	KIRORZXXUSIZFA-CVEARBPZSA-N	244.378	4.648	0	10	BJAE	
CCCCCC[C@H](O)C[C@H]1C[C@H]1c1ccccc1	2079554419	PYHZDWDEMMOSQZ-ULQDDVLXSA-N	246.394	4.512	0	10	BJAE	
Fc1cccc(N[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1	2081142532	YPOVAESCCYUUJO-APHBMKBZSA-N	247.357	4.597	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@@H](C)CC(C)(C)C	2081218977	PGSKLAZGPUCYDG-KBPBESRZSA-N	247.426	4.724	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)C1=C[C@H]2CC[C@H]1C2	2081677087	IGKDGGDCZUSAFR-JKQORVJESA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H]1[C@H]2CCCCC[C@H]21	2081787363	VBKNQFWXRNGEOZ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC=C(C)C)c1cc(C)cc(C)c1C	2082930313	PKTGHBYZPLMJOE-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
CCNCC1(C[C@H]2CCCC(C)(C)C2)CC=CC1	2082982917	OGLQPLCLSIXUFQ-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCCC1CC1	2211122410	XEHVALBAYJUYIW-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@]1(N)CCC[C@@H](C(C)(C)C)C1	2212098978	AHTMAHIOQBADME-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC1CC([C@H](N)CCCCCCC2CC2)C1	2213576347	OXZWAEMCVNHZBD-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](C)(CCCCCCC1CC1)CNC	2213578202	JOQMJOULVQNPTF-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@@H](C)C1CC1	2214988339	GOPDMEPMIVRGTL-SNVBAGLBSA-N	247.769	4.649	0	10	BJAE	
CCC[C@H](NCC)[C@@H]1CCC[C@H](C(C)(C)C)C1	2216256244	HDYMBZXMBVJKFZ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC)CCCCCCCCC1CC1	2216877909	RIBZHWWCAFURRP-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
C[C@@H]1CC[C@@H](CCCCCCCC2CC2)CN1	2216892419	IYTXMQYYVXXCBD-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@]1(CN[C@H](C)CC)CC1(C)C	2217153354	LGDQPLXJQYKROT-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
N[C@](CCCCCCC1CC1)(C1CCC1)C1CC1	2218720674	LKSHQGVCEUASKQ-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)[C@H]2CC[C@H]2C)cc1	2220563263	UZIMBUPQZZSLHH-DOMZBBRYSA-N	244.378	4.603	0	10	BJAE	
CCN[C@H](CC1CCC1)CC1(C)CC2(CCC2)C1	2221013771	NLILSBIKVYVUSW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(Cn2ccc3ccccc32)CC2(CCC2)C1	2221090742	OYGKNBDCVNXNOM-UHFFFAOYSA-N	239.362	4.612	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](NC)[C@]1(C)CC=C(C)CC1	2221628498	XMQSVZRJHHBGDC-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](N)CCCCCC[C@@H]1C[C@H]1C	2243886998	ZTQOWEGVQCLSPG-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)C(=O)CCC[C@H]1CC1(C)C	2244767970	ROUWPCTVHMBAPV-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CCCC[C@H]2C[C@H]2C)C1	2247120094	MAAVERGMUUULIY-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCCC[C@H]1C[C@@H]1C	2247159548	NTBFJDJEOVKMKO-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCCC[C@H]1C[C@@H]1C	2247166994	RGKAUZRFICPNDF-BPUTZDHNSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H]1C[C@H](O)C1(C)CCCCCC1	2247422292	LHJWFDNIGMYLOK-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CCC1(C)C)CC(C)C	2247436070	WLJZULWJHRDBTA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](N)CC[C@H]1CCCC12CC2	2247591042	PJXLZRYYPJDOOD-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(N[C@@H](C)[C@H]2CC23CCC3)c1Cl	2248282643	GKVACWKVEUBKLM-NWDGAFQWSA-N	249.785	4.639	0	10	BJAE	
CCCC1(C(=O)CCCCC[C@H]2C[C@@H]2C)CC1	2248811195	ZLEDOXMYTJUXFS-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)CCC(C)(C)C	2248811351	ZVXQQLPNOKAUHU-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](CN)CCCCCC[C@@H]1C[C@@H]1C	2248877762	HHXKZOFEJTUTNL-ARFHVFGLSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H]1CCC[C@H](C)C1)NC	2250353563	WAWRIMGHPHGOPP-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCCN[C@H]1C	2250515122	VWVDAZRTJUYCAZ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(C)CCC(=O)C1	2250520981	XQWNQSNXUHJVLU-GOEBONIOSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C2CC(=C3CC3)C2)C1	2253934151	GGWPYMBVKDAODR-OLZOCXBDSA-N	246.394	4.662	0	10	BJAE	
C[C@@H](CC1CC2(CCCC2)C1)[C@H]1CC[C@H](N)CC1	2254082649	RXZYRQLEIAPANW-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CC2(CCCC2)C1)C1CCCCCC1	2254108548	QPIVRTRYLRTZAW-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CC[C@H]1CCCC12CC2	2255326195	ASYSLTBQAJNIFY-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCC2(CCC2)C1	2256141128	ZIYSMIMRQONGKT-ZDUSSCGKSA-N	247.357	4.523	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2260574740	OZWXLHPRUQRKIR-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@]12CCCC[C@H]1CC2)C1CCCC1	2260582988	MIIPMTZFFQKDDT-JLJPHGGASA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1CC(N)(C[C@@]23CCCC[C@@H]2CC3)C1	2260679909	UOSGFCVVXYTBLF-CGBMDKKTSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@H](C)CC1CCC1	2298913011	BOCKRFSUFGWDJT-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CN[C@@H]1CCCCCCCCC1CC1	2299220698	IGCBJAVROLOCRI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@H]1CC12CCCCC2	2300689882	CDRPPWOWRFXPOO-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC1(CNC)CCC(C)CC1	2300696478	DGPVKINMFPRRNS-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(C)=CC[C@@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	2300875228	SLPDODSVJUCTKA-IIAWOOMASA-N	237.431	4.523	0	10	BJAE	
CC=CC[C@H]1CCC(C)(C)CC[C@@H]1NCCC	2300903438	DVFGYJUTYJISGG-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(O)(CC)CC[C@@H]1C[C@H]2CCC[C@H]1CC2	2301133600	NQQIIKBYZNVPET-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)[C@@H](C)C(C)C)C1	2301688118	HTUNUJBPBNPDTE-FXQLRMTLSA-N	239.447	4.616	0	10	BJAE	
CN[C@@H]([C@@H](C)[C@H](C)C(C)C)[C@H](C)CC(C)(C)C	2301824125	AKFCZJQRHZVCPO-APIJFGDWSA-N	241.463	4.575	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)C1(C)C(C)(C)C1(C)C	2301960148	ZUWWEXAUGIHHPL-NEPJUHHUSA-N	238.415	4.556	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2nc(CC3CCC3)cs2)C1	2302263918	ZCMXWPHBIVMMPZ-DGCLKSJQSA-N	249.423	4.779	0	10	BJAE	
CC[C@@](O)(CCCC1=CCCCC1)C1CCC1	2302332891	ZAZHCVNVVWCCFE-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC1=CCCC[C@@]1(O)CCCC1=CCCCC1	2302354533	SCXHBTXJUIJPIA-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@H]1CC=CCC1	2302357401	YDTJRRFKNNUQET-HNNXBMFYSA-N	232.367	4.583	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)C(C)(C)C	2303580029	QOSREHVOFDRIES-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)CNCC[C@H]1CCC(C)(C)C1	2304361793	XLPUPTZQJMMZRH-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)C1(C)CCCCC1	2307892647	IYHAHRGJTBLLRY-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C)[C@H](C[C@@H](CC)CCC)C(C)C	2307904344	SFEVMZUTTTZQEJ-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CCC1(C)CC1)NCC	2307904377	SJUTYOVBJRFFFD-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)C1(C(C)C)CCC1	2307909670	VHUAAUJCALYOQK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CC[C@@H]3C[C@@H]32)CCCCCCC1	2310911003	IAYHBGQZFZNJJK-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)C[C@@]23CCCC[C@@H]2C3)C1	2311161725	IXQONTORYLQIQX-UTSKFRMZSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1C[C@H]2CC[C@@H]1C2	2313177430	IQXWTSTYQJXPDD-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)C[C@@]23CCC[C@@H]2CC3)C1	2313321209	JRHCYZLIXMEJNO-UTSKFRMZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2313628269	FKJOCPPHFGCHAS-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C1[C@H](C)C[C@H]1C	2316992109	HNFKFUOPZPNIHC-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@]1(C)C=CCCC1	2317003920	XWSHQYXDGIHKPM-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1CCCC12CC2	2317020532	HHTQLJMHSHDJOG-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](CC)c1ccc(C[C@H](C)CC)cc1	2317098499	BRZKFBSCNZIXPH-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2)C(C)(C)C	2317214898	SQICZIREVXTFFC-TUVASFSCSA-N	248.410	4.620	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C[C@@H]1C=CCCC1	2317907959	UUOLBVVNXDLTNB-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NCCCC1=CCCCC1	2318537373	AIBWXPHQKWXNRL-NVXWUHKLSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N(C)CCCC1=CCCCC1	2318572904	LHCIFPBAGYVHEX-RDJZCZTQSA-N	249.442	4.778	0	10	BJAE	
C[C@](N)(CCCC1=CCCCC1)c1ccccc1	2318576340	OBDHNIZGTIDIOV-KRWDZBQOSA-N	243.394	4.531	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC(C)(C)C1)c1ccoc1	2319029972	IXFMKCWEOUXWPB-UKRRQHHQSA-N	249.398	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCCCC[C@H]2C)CC1	2320337623	OGFFOIMACWKURC-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@H]1C[C@@H]1CC	2320399627	XXXCPCRMPPRBEN-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCCC[C@@H]1[C@@H](CC1CC1)C1CC1	2320695404	HWFBJGRHOIIQIE-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)C2CC3(CCC3)C2)C1	2321606644	YGTHORYAZBTMQN-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NC(=N)C2CCCC2)c1F	2327777441	UTLAQRZRJLUSDK-UHFFFAOYSA-N	248.345	4.528	0	10	BJAE	
CN[C@H](CCC(C)C)c1ccc(CC(C)C)cc1	35459594	ONKOGZCMXXQCNR-QGZVFWFLSA-N	247.426	4.582	0	10	BJAE	
CCN[C@@H](c1ccc([C@H](C)CC)cc1)[C@@H]1C[C@@H]1C	35544414	YAICRLFAOSIYCQ-GFOFROLCSA-N	245.410	4.507	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Nc1ccc(F)cc1	36664758	HQYSWISGHMMJSV-UHOFOFEASA-N	249.373	4.698	0	10	BJAE	
CC[C@H](Nc1cc(Cl)ccc1Cl)C(C)C	37188139	MGNDCMYPBRXYAZ-NSHDSACASA-N	246.181	4.840	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)c1cccs1	37763774	YGSJOGPZYCHEHP-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)c1cc2ccccc2o1	50400871	YPJGFZYLUMTXGY-TZMCWYRMSA-N	245.366	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccccc2Cl)C1	70562221	DKDVJJKODQPRKR-NEPJUHHUSA-N	237.774	4.721	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCC1(C)C	86865968	RMWDUNRNCCTASB-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C/C=C\C[C@@H](C)c1cc(Cl)c(C)cc1OC	107620140	YCDQTJCYUYCDST-WWQCOOJYSA-N	238.758	4.727	0	10	BJAE	
CCCC[C@H](CC)CNCCC1CCCCC1	110164204	WYWCVTBXAQPGPN-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C1CCCCCC1	110213461	TYIWLJQCBYQCCD-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
Cc1ccc(C(F)(F)F)cc1-c1ccccc1	112734715	ZDQMLLDNIQFPRU-UHFFFAOYSA-N	236.236	4.681	0	10	BJAE	
CC1CCC(C(C)(C)CCNC(C)(C)C)CC1	133980801	WJVBTHHVQZNUSV-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)c1cc2ccccc2s1	147657189	QEPANMQRNHPGSV-UHFFFAOYSA-N	204.338	4.805	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C[C@H](C)C(C)(C)C	158728608	JGNMBTSGFLZPJQ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CC(CC)CC)CC1	167644801	ILVILTCGJCPESQ-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
C[C@H]([C@@H](O)c1cccc2ccccc12)C(C)(C)C	204583284	GHBXXWDPXAIRIR-MLGOLLRUSA-N	242.362	4.555	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]([C@@H](CCC)NCC)CC1	212774310	QBAQXVPITODUAQ-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CCCC1(C)C	226007688	ZSHMEQVCZKSIOZ-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)c1ccsc1C	227912811	SQCFYOCOHKOJDX-SMDDNHRTSA-N	239.428	4.533	0	10	BJAE	
CCN[C@@H](CCCC(C)C)c1cc(C)cc(C)c1	229181561	MHTNYASEOYIEGF-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCCCCC[C@@H](NCC)c1ccoc1Cl	232968705	XLSWTJOWRDPCOP-GFCCVEGCSA-N	243.778	4.554	0	10	BJAE	
CC[C@@H](NCC(C)(C)C(C)C)c1ccc(C)cc1	233897768	CSAKPGWURASMLL-MRXNPFEDSA-N	247.426	4.718	0	10	BJAE	
C[C@@H](NC1CCCCCCC1)[C@H]1C[C@H]2CC[C@H]1C2	251702001	XLCJGOZXECBQNM-WBTNSWJXSA-N	249.442	4.514	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1C[C@H]2CC[C@H]1C2	252896023	AUOMDVDXRGBOJH-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CCC2CCCC2)C1	253200611	XGPIVQHGNNXGNX-NHAGDIPZSA-N	236.399	4.598	0	10	BJAE	
CC(C)n1cc([C@@H](C)C#N)c2cccc(Cl)c21	260263058	LBBRKUWAOTUJBE-JTQLQIEISA-N	246.741	4.503	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@H](C)C(C)(C)C)C1	300309928	QDKXGTDFSUFXEN-QLFBSQMISA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)CNCC1(CC)CCCC1	300635423	SXXJWFJPWBEENU-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCCCF)NCCC	310311949	QXCZDVFQOYAYLQ-GJZGRUSLSA-N	245.426	4.711	0	10	BJAE	
C[C@H]1C[C@H](CC2CCCCC2)Nc2ccccc21	310831791	YZYLSIPFSOLHEY-DZGCQCFKSA-N	243.394	4.945	0	10	BJAE	
CC(C)CCCN[C@@H]1CCCC12CCCCC2	313115234	OQFQTOQFLCXYGW-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCC1	324615846	AHLNKFRCJHKYJW-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2CC3CCC2CC3)CC1	380951334	PVALTIONNWQGFM-QIWHZVNUSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@H](c1ccccc1)C1CC1	384985307	USUCGWZVAHOTCV-CZUORRHYSA-N	245.410	4.552	0	10	BJAE	
CC(C)C[C@@H](N[C@@H]1CCC1(C)C)c1ccccc1	385110028	PJFKOQPLDPYERX-HZPDHXFCSA-N	245.410	4.552	0	10	BJAE	
CCCCC[C@@H](CCC1=CCCCC1)NCC	385797940	OMKUQYKDJKYJEK-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CSc1c(C(F)F)ccc2c(F)csc12	396249381	QKQYOCWCORECME-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1C)[C@H]1CC1(C)C	397594657	KYYMELOREZNVKK-ZIAGYGMSSA-N	231.383	4.540	0	10	BJAE	
CCc1cc(N[C@H](CC)[C@H]2CC2(C)C)ccc1C	397650455	IPNTVHJVXLQHKI-HZPDHXFCSA-N	245.410	4.794	0	10	BJAE	
Clc1cc(Cl)cc(NCCC2CCC2)c1	398642453	AIMZCAXGWKEYPM-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
O=C(CCC1CCC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	398797271	UYLMBADEPLPBFD-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@H](C)C(C)(C)C	399131149	TZALOZBWTVQXOL-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@H]2CC=CCC2)cc1	402271411	IOZCVGOMETXEAK-WMLDXEAASA-N	243.394	4.556	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)C(C)(C)C	686245178	GRMSTNWIHYOLIA-GFCCVEGCSA-N	219.372	4.657	0	10	BJAE	
CCc1ccc(CC)c(NC(C(C)C)C(C)C)c1	689623517	ZPOPEFMLAFTHBI-UHFFFAOYSA-N	247.426	4.904	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)CC2CCCC2)C1	689802897	AMTMJNUUPUBUFZ-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)CCC(C)(C)C	695100973	UGGXUVIJZQUKJF-CHWSQXEVSA-N	227.436	4.616	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1ccccc1Cl	696566466	FHTKRKAOLIRCBA-ZDUSSCGKSA-N	240.774	4.590	0	10	BJAE	
CCC(C)(C)CC[C@@]1(C2CC2)CCCCCN1	696800413	VQYZTMVINGNLQX-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C1(C(C)C)CC1	697830614	YCUNLBUQVJJEBK-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCCCC[C@@H]1C(C)C	704461601	UJBCMKVDNGQRPJ-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@](C)(N)c1cc2ccccc2s1	704507567	KFGZFWNZCCFUQP-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@](C)(N)CC1CCCCC1	704798661	MWGSCXXNMSUPEU-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CNCCC1=CCCCC1)CC(C)(C)C	709110360	YSJXODKUUOGPOP-AWEZNQCLSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](C)CCC[C@@H](C)CC(C)(C)C	709194489	YZEPZZQOLZANBK-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CNCC(C)C)C[C@H](C)C(C)(C)C	711172428	JZIDXFWLZCAPAE-LSDHHAIUSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H](C[C@H](N)CCC(C)(C)CC)C(C)(C)C	711213085	MKSDYYZWTFETKD-UONOGXRCSA-N	241.463	4.993	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)c1cscc1C	713213848	UGOIQIDFZSDLJJ-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCC(C)(C)C[C@@](C)(CNC(C)(C)C)C(C)C	713252913	XVFBYLVLALRKKE-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CCC(C)=C(C)C	718494059	MDFPJDZSFQXJPG-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1cscc1C(F)F	720275685	JTNHBGNHBOPQRN-JTQLQIEISA-N	248.338	4.545	0	10	BJAE	
CCC(C)(CC)[C@H](C[C@H]1CCC[C@H](C)C1)NC	721656634	UBPYIFHPGWUTOJ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NCC)c1c(C)csc1C	724961901	JHJZQGHILOLYBA-ZDUSSCGKSA-N	239.428	4.596	0	10	BJAE	
C[C@H](NCCCC(C)(C)C)[C@@H]1CCC[C@@H](C)C1	1654741289	FAQZKVCEOFQLRP-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](Sc2ccc(F)cc2F)C1	1656172722	CIYOADXYCDLJLD-ONGXEEELSA-N	242.334	4.636	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(Cc1ccccc1)C(C)(C)C	1880414227	YSQRMEIUUOSLTK-LSDHHAIUSA-N	247.426	4.722	0	10	BJAE	
Cc1cc(-c2cc(C(F)F)cs2)cs1	1889510103	PGLLWZTUANVLLT-UHFFFAOYSA-N	230.304	4.723	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)C1CCCCC1	1900714552	WPPXERDBTVCDJW-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1CCCC1(C)C	1905301319	KKVYZJSEOGBGIL-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3C[C@@H]3C2)c2sccc2c1	1917358465	QOSKTWQBTHPCII-YNEHKIRRSA-N	243.375	4.502	0	10	BJAE	
CCCC1CC(CNC(C)C)([C@H](C)CCC)C1	1921270995	HUOINRWUYQZHQK-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCCC1)C1CC(CC)C1	1925772223	HKPZAWZEOGMBTD-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCNc1cc(Cl)ccc1F	1926157217	LTBVQTRETWTCCQ-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCCCCC[C@H](N)CCC[C@H]1CC1(C)C	1935922215	WRDDHONCCYKYSR-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCC(C)(CC)CC	1936271328	PGYYRLOUQXQEJN-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCc1cc(C(=O)[C@H](C)CC(C)(C)C)cs1	1936770955	JGVGEQBSXXADDK-SNVBAGLBSA-N	238.396	4.566	0	10	BJAE	
C[C@@H](C[C@H](N)CC1(C)CCCCC1)C(C)(C)C	1940410569	SCSCWIHBURMOOR-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CCCCCC2CC2)CC1	1941590796	FOKDIXHIYLXMPG-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)[C@@H](C)CCC(C)C)CC1	1942652140	DRZANJISEYHSMJ-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CC(C(=O)CCCC2CCC2)C[C@@H](C)C1	1943041008	FPNKZZMUDXTRCX-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCCC(=O)[C@]12CCCC[C@H]1CCC2	1944237015	UPJLQERJSZJZIK-HOCLYGCPSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](C[C@@H](N)C[C@@H]1CCC[C@H]1C)C(C)(C)C	1944831383	KPVRJFKOZMYWOZ-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CC[C@@H]2CCCC[C@@H]21	1946367637	RKSSRTBGXAPCTF-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@H](C2(O)CCCCCCC2)CC[C@H]1C	1947547170	PEBKOHHKQBVJNW-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCC[C@]1(CCC(F)(F)CC)CCCCCN1	1947905715	WMKZVEOUVMHCIJ-CYBMUJFWSA-N	247.373	4.514	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC(F)(F)CC)NCC	1947993841	RCBHFPSZAYCPDV-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCC(CC)(CC)[C@H](N)[C@@H]1CC[C@H](C)[C@@H](C)C1	1948920334	BTQASGMTSNALOU-BYNSBNAKSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CC1CC(C)(C)C1	1949736748	TVWRFCNSXSCOFN-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)CC1CC2(CCC2)C1	1949743335	ZZXDQTRPAJJGJG-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)CC1(CO)CCC(C)CC1	1950915656	BYAPDZCKRYLJJP-HWOWSKLDSA-N	240.431	4.782	0	10	BJAE	
CCCCCC[C@]1(CNC)CCC[C@H](C)CC1	1950929162	FCXRYZKLJIJFDJ-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCC[C@H](C(C)C)CC1	1962920162	AYHDJQJBWRUONM-CVEARBPZSA-N	239.447	4.569	0	10	BJAE	
c1cc(NC[C@H]2CCC3(CC3)C2)cc(C2CC2)c1	1972461227	QTVZPIPLCOEOHN-ZDUSSCGKSA-N	241.378	4.556	0	10	BJAE	
CCC1CCC(CN[C@@H]2CCCCC23CC3)CC1	1972741584	FBEHVBAOJJVFKJ-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@](C)(N)C1CCC(CC)CC1	1980255331	NEMSWZHJPVEGGQ-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@H](C)C1(O)CCCCCCCC1	1980353177	XXTXRBKGZMYWKU-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
C/C=C/CCC[C@@H](N)C[C@@H](C)CC(C)(C)C	1984629809	KYNZRPFYLXGTSX-JLVOYYQZSA-N	225.420	4.523	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@H](N)CC)CC1	1989816555	MJVLXSQGBNUWQF-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCC[C@](N)(CC)C[C@H]1CCCC(C)(C)C1	1994031021	QNRXVNFOHMRLKE-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CCC)NCCC	1995203593	LJUSUBCJQANBPM-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)CCC1CC1	1996364451	VORKMCAQOQLGRK-CYBMUJFWSA-N	231.383	4.548	0	10	BJAE	
CCC1(CNc2ccccc2SC2CC2)CC1	1996558469	NQXGNHAYFIKQIZ-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2CCCCC2)CC1	1997116873	NNOLTHIMQGJMHI-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCC[C@H](N(C)CC(C)(C)CC)CC1	1997208660	QBAFHXGRRDUTLK-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@H](CCC)CC1CC(C(C)(C)C)C1	1998239559	JNETYUOKYDKUKI-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2(C(C)C)CCC2)C1	2000194965	KXOQLJVGMNRHAK-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](C)(CNC1CC1)CC1(CC)CCC1	2000521069	QXQJACLMMXXAAX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCCN(C[C@@H](C)CC(C)(C)C)C(C)C	2000900363	MRBXHCJVGGLMLK-HNNXBMFYSA-N	241.463	4.959	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H](C(F)F)C(C)(C)C	2002434180	DSZXEADBBHTLJC-NSHDSACASA-N	248.357	4.699	0	10	BJAE	
CCC[C@H](C)C[C@](C)(O)[C@H]1CCCC(C)(C)C1	2003005373	JRBVPKHTNXKQBU-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](CC(F)F)C[C@@H]1CCCCCCC1=O	2003119874	XDVGNWAGZWPXNL-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCCCC(F)(F)C1	2003177537	YCDMCZLMQOZUJS-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)[C@@]1(C)C=CCCC1	2003335152	QUWQCJCIGJHJFO-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)C1(C)CCCCCCC1	2004921363	VBYHSFCWMXGYOK-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)C1(C)CCC(C)CC1	2007686561	AOHSKEMAHGFLDA-FYRZTWFESA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC1CC(C(C)C)C1	2007736937	FCZUURYNQKEWIG-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CNCC1(CCC2(C)CC2)CCCCCCC1	2009542965	AWKMETMHEDKAPQ-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C/C=C/CCCc1ccc(C(F)(F)F)c(F)c1	2009594579	VERDCCKOWLMPPB-NSCUHMNNSA-N	246.247	4.743	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@](C)(N)CC(C)(C)C)CC1	2010740552	WACMVMSZNVVOMJ-BBRMVZONSA-N	237.431	4.523	0	10	BJAE	
CC=CCCC[C@](CC)(CNC1CC1)C(C)C	2012409228	GSNDLKDHNZLHHQ-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCc1cccc(N[C@H](CC)CCC(C)C)c1	2013262565	BZCXAVITHGVEKP-OAHLLOKOSA-N	233.399	4.876	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC[C@@H]1CC=CCC1	2013264068	KPJSNYVQNQOHHP-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@@H]1CCC2(CC2)C1	2013266965	MLFMRJOTALWDNV-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCC(C)C)NCCC[C@@H]1CC1(C)C	2013271346	RFVAWBUIZYRMCX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@](C)(N)CCC(C(C)C)C(C)C	2015360182	HGNXLHBLQWIAHI-MRXNPFEDSA-N	241.463	4.848	0	10	BJAE	
CC(C)C(CCC(=O)[C@@]1(C)C=CCC1)C(C)C	2015390404	LHCZJIZBHYHBDM-INIZCTEOSA-N	236.399	4.620	0	10	BJAE	
CCCCC1CC(N)(CC2(CCC)CCC2)C1	2015644659	PEDLQGQCTMZLSI-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CCCC[C@]1(O)CC1(C(C)(C)C)CCC1	2017115288	WVOUWNCQKJBACM-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(OCC2(C(C)C)CCC2)c1C	2017126205	XXOSKGAMEHAQHT-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CC(C)=C[C@H](C)C1	2018079852	QEIMIDHORMAYRO-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)N(C)C1CCC(CC)CC1	2019162449	CKIPYUOQWDQTTQ-PCKAHOCUSA-N	239.447	4.856	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H](C)C1(C)CCCC1	2019381575	GQOIONNTIPDBBL-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1C=CCCCC1)C(C)(C)C	2019850122	QNKOGDXIAWRFHM-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)c1cc(C)sc1C	2022675949	OYFRGDBNNSZOBJ-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2024092107	OCQLFMVJXUGHHZ-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@@H]1CCCC(C)(C)C1	2024116692	IMGKBMJHSZQEBF-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1CC(C)(C)C1(C)C	2025014342	HHYXIYOFSIDMHD-UONOGXRCSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1ccccc1C	2026168230	YOJUWILMIJGCHF-BBRMVZONSA-N	233.399	4.601	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)C[C@H]2CCC[C@H]1C2	2026300343	NVLJXEPKQCNKPM-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(CC2=CCCC2)cc1C(F)(F)F	2026350154	WPFQFVNVLQAIPJ-UHFFFAOYSA-N	240.268	4.667	0	10	BJAE	
CC1(Cc2csc(C3CCCCCC3)n2)CC1	2026544698	PCAXPNKSYANOQR-UHFFFAOYSA-N	249.423	4.924	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)c1cc(C)oc1C	2027736383	NKXGINLESBDING-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CC1(CCCN[C@@H]2CCCCC23CCCC3)CC1	2027854488	FNPSDDKIHOGOAG-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCc1ccc2c(c1)N[C@](CC)(C[C@@H](C)CC)O2	2027996574	CXJNOZVUWTVMST-LRDDRELGSA-N	247.382	4.596	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1cccc2ccccc12	2028253719	ZEZVHMHBAGBRHM-PBHICJAKSA-N	241.378	4.522	0	10	BJAE	
CC[C@@H](C(=O)c1ccccc1C1(C)CC1)C(C)C	2028568088	GHMAQHFFIGBATN-CYBMUJFWSA-N	244.378	4.603	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@@]12CCCC[C@@H]1CCC2	2031755945	AEHFVCBOKBCRNQ-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC1(Nc2ccc3ccccc3c2)CCCCC1	2033429939	HUGXLCBRLSRBPD-UHFFFAOYSA-N	239.362	4.975	0	10	BJAE	
CCCCC1CCC(C(=O)C[C@H]2C=CCC2)CC1	2035550978	BZPXSIXCZPDXPS-PCKAHOCUSA-N	248.410	4.908	0	10	BJAE	
CCC1CCC([C@H](N)[C@@H]2CC(C)=C[C@H](C)C2)CC1	2037047448	CGEMRTWMMGHWTH-ADNWXIBMSA-N	249.442	4.523	0	10	BJAE	
NC1(C[C@@H]2CC=CCC2)CCCCCCCCC1	2037158623	BOAUFFBWZUQAIB-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@@H]1CCCC[C@@H]1C	2037167865	AZMZJDHGFDVIOF-XJNFMUPTSA-N	249.442	4.667	0	10	BJAE	
N[C@]1(CCC2=CCCCC2)CCCC[C@H]1C1CC1	2037171474	IZMRNWCSZBFHQJ-IRXDYDNUSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@@](N)([C@@H]2CCC3(CCCC3)C2)CC1	2037591130	ZRXDFSSBXVXEEE-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC(C)(NC[C@@H]1CC12CCCCC2)C1CCCC1	2039080753	DJDVACPYDMBZMW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC1(C(=O)c2cc3cccc(C)c3o2)CCC1	2039729040	OJKYSDADGQUOCZ-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
Cc1cc(N[C@H](C)C2(C)CCCCC2)ccc1F	2039864413	ZQBGMFCSEBCYCB-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CCCC[C@H](CCC)NC1C[C@@H]2CC=CC[C@H]2C1	2042344404	GKSABLVQXPLOGH-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2042349019	ZWPRIEMVGURJIR-CAOSSQGBSA-N	249.442	4.536	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@]2(C)CC=CCC2)C1	2042999683	FJPFWQGBXKTGCM-MQBCKMQZSA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)C1CC(C[C@@H](N)[C@@]2(C)CC=CCC2)C1	2043004638	MPUOUKKCOMKXRL-BOXZVXIZSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H]1C=CCCC1	2043190207	HHXWOMCSVPQNBM-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)C[C@@H]1CCC=CCCC1	2045305129	MIDYEASZSQXBBT-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(C[C@@H]2CC23CCCCC3)C1	2047013263	UNEDBUQESNEFJF-OAGGEKHMSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CC[C@H]1N[C@H]1CCCCC12CCCCC2	2047588489	ZUCALENBHIPBEH-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
C[C@]1(CNc2cccc(C3CC3)c2)CC=CCC1	2047727777	ARANDIOTDATTJW-KRWDZBQOSA-N	241.378	4.722	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CC[C@@H]2CCCN[C@H]2C1	2048076558	FNOWOXFPGSVGDD-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CC23CCCCC3)CCCC1	2049804808	QVUVQDWHPFKPOL-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CC(C)(NC[C@H]1CCCC2(CC2)C1)C1CCCC1	2049860852	YRFUUFSYOAZGGW-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(NC[C@H]2CCCC3(CC3)C2)CCCC1	2049867194	SUNRQZUCDPIHLA-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@H](N)[C@@]2(C)C=CCCC2)C1	2050009546	YWHRNFVUFWLDNH-HMDCTGQHSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@H](NC2C3CCCC2CCC3)C1	2050042384	PHRNTKBCLDZKFH-UFFJXHMVSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCCC(C)=C(C)C)c1cccc(F)c1	2050491844	IZRAIOHNVDIXKU-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CNC[C@]1(C2CCCCCC2)CCCCC12CC2	2053357483	IGJSCJLTWZUYNI-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1CCC([C@H](N)[C@H]2CCCCC23CCC3)CC1	2053414406	ZGZMXXAYDYLMSF-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C=C1CCCCC1	2056872405	CJEGZAVMFJPPSV-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CC1([C@@H](O)C=C2CCCCC2)CCC2(CC2)CC1	2056936223	DANDUAHGVMOMID-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](C1CCCCCCC1)C1CC(C2CCC2)C1	2057488294	IFACOXNEXIKLKR-JCYILVPMSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H]1CCCC12CC2	2059225265	LKPVBYDJAOCLNB-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC2CC2)CCC[C@H](C)C1	2059260731	ZVGVZPNENURPLC-PIXXYMSQSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(N)(CC[C@@]23CCC[C@@H]2C3)CC1	2061615792	HMSJWYXRESIQRM-JCCCHCCOSA-N	249.442	4.645	0	10	BJAE	
CCC1(NCC2C[C@H]3CCC[C@@H]3C2)CCCCC1	2063476256	HDQBFXOPDMJJRL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CC23CCC(CC2)CC3)C(=O)C1	2065280710	YCGIXGYLCSPUME-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)CC12CCC(CC1)CC2	2065285142	BQJAPISILSMKPX-GWUWNPHMSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@@H](CC23CCC(CC2)C3)C1	2065340849	ZUUBONYWZDOGHF-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc2[nH]ccc2c1	2065990410	NMEMNBATSXOTAW-AWEZNQCLSA-N	244.382	4.795	0	10	BJAE	
CC[C@](N)(CCCc1ccccc1)CCC(C)C	2065993536	UHDZUWAIDURMQG-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1cccc(C(C)C)n1	2066384650	FEAUFCONQRKFST-ZDUSSCGKSA-N	247.382	4.604	0	10	BJAE	
Cc1ccc([C@H](N)CC(C(C)C)C(C)C)c(C)c1	2068844679	PTOMAYXGGRHFTA-QGZVFWFLSA-N	247.426	4.622	0	10	BJAE	
Cc1cccc(C(=O)CC(C(C)C)C(C)C)c1C	2068986245	GYLPUFRTCCFIAB-UHFFFAOYSA-N	246.394	4.804	0	10	BJAE	
O=C(CCC1CCCCC1)C1(CC2CC2)CCC1	2069503815	PZCZUZNHHBKSMG-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@H]1[C@H]2CCCCC[C@H]21	2070400690	XHWJCBZVQWOGLJ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cc(O)c(C)cc1C	2070412614	DFHYTCIGLNLSBE-AWEZNQCLSA-N	247.382	4.556	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)c1cccc(C2CCC2)c1	2072096120	RKYMARYUIICFKP-JSGCOSHPSA-N	242.362	4.573	0	10	BJAE	
CCC1CCC(C[C@@H](N)c2cc(C)oc2C)CC1	2072797929	DUEPLUGPWGLFOQ-ZBCRRDGASA-N	249.398	4.503	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)C[C@@H]3CCCC[C@H]32)CC1	2072801193	LQUNWBIJDQUPEX-VIQHNZTISA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@]2(N)C[C@H]3CC[C@H]2C3)CC1	2072802073	UFIWPBGUAUKBCI-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@@]12CCCC[C@H]1C2	2074026836	XAZWMSCCRYQMTN-LLLHUVSDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)C[C@@]12CCCC[C@H]1C2	2074096358	XWYWGVUFRORSOX-SJCJKPOMSA-N	248.410	4.598	0	10	BJAE	
CCCC1(CC(=O)c2ccccc2C2CC2)CC1	2074598124	WDROASWHIMPKBM-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCCCN(Cc1ccc(CC)cc1)[C@H](C)CC	2074918909	NBKOSTDAMSANMC-OAHLLOKOSA-N	247.426	4.650	0	10	BJAE	
CC(C)(C)c1ccc(O[C@H]2C=CCCCC2)cc1	2075408801	RMPBJLYEKWHENL-HNNXBMFYSA-N	244.378	4.862	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H]2CCCC(C)(C)[C@H]2N)CC1	2076394692	CZLFUXNSVQMLBF-BMFZPTHFSA-N	249.442	4.523	0	10	BJAE	
Cc1cc2ccccc2n1C[C@H]1C[C@H]1C(C)(C)C	2079820537	RHZMTOPLVNYTBP-HUUCEWRRSA-N	241.378	4.632	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@@H]1C[C@@H]1C(C)C	2079871298	RRDXYPFITFHNSY-MPTYRVRUSA-N	249.442	4.523	0	10	BJAE	
CCc1ccccc1[C@@](C)(O)C[C@@H](C)CC(C)C	2081206279	KMIGYLXTMPPDFC-YOEHRIQHSA-N	248.410	4.529	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1[C@@H]2CCCC[C@@H]12	2081774222	GORAUSMRIDRYKB-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CC23CCCCC3)C1	2082978676	ISIGWVKZABXXEL-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C2CC3(CCC3)C2)C1	2082988497	VPFDOCFAHRPCBV-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c2cc([C@]34CCCC[C@H]3C4)[nH]c2c1	2083309990	SZCSJRCUFZIUFV-GUYCJALGSA-N	239.362	4.616	0	10	BJAE	
CC1(C)C[C@](N)(C[C@H]2CC23CCCCC3)C1(C)C	2084338444	KAWMWVOPGABFBQ-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](N)CCCCCCCCC1CC1	2212441765	DEIVDNJXXJNMBG-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)[C@H]1CCCC(C)(C)CC1	2215338436	GBOCJAGHNIIOKC-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](N)CC1(C)CC2(CCC2)C1	2215401160	NAPSMHDUYBLKMU-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@](O)(CCCCCCCC2CC2)C1	2216861394	GGTSRBCXINQNQD-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@]1(CN[C@@H](C)CC)CC=CCC1	2217127914	IYLOJCYOFNGAJQ-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1C[C@@H]2CC[C@@H]2C1	2218730837	KICRGMHAQBKWBM-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC=Cc1ccccc1	2219081993	LIMFBXBTPFCNNK-MRXNPFEDSA-N	244.378	4.731	0	10	BJAE	
CC1([C@@H](N)CCCCC2CC2)CCC2(CC2)CC1	2220047511	XAMHPOSESYTMGX-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@H]1CC[C@H]1C	2220521408	MYSDACFRCDJUJA-KMFMINBZSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	2220874571	IGNVJHYKQSNNDX-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CCCC3(CCC3)C2)C1	2221022172	DSBPUAMMVUZNPV-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)(C[C@@](C)(N)C23CCC(CC2)C3)C1	2221024293	ZYCNMQRMTWDKCQ-BLDCVEFLSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CCC)Nc1ncccc1C1CC1	2221373676	HNROSHKWVHXJCM-AWEZNQCLSA-N	246.398	4.730	0	10	BJAE	
CC1=CC[C@@H](CN[C@@H](C)C2CCC(C)CC2)CC1	2221620079	WIUHDWCXOOSEGF-VUROTCPHSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)[C@]1(C)CC=C(C)CC1	2221622527	IGEMTNPDBPYZKF-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2221639813	GFPDASWPJIVLHM-ANQUJSFKSA-N	246.394	4.518	0	10	BJAE	
CC1=CC[C@@H](CN[C@H]2CCCCCC2(C)C)CC1	2221668624	PXMVJHWAWGCUIU-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)C[C@@H]1CC12CC2	2223154909	NRZRFUCUWZPQBZ-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCCC(CCC)[C@H](N)c1csc(C)c1C	2242618535	FDDZLTBEUHZFAO-AWEZNQCLSA-N	239.428	4.581	0	10	BJAE	
CCC(C)(C)C(=O)CCCCC[C@@H]1C[C@H]1C	2243877238	KYUCQDZTRZOFAB-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@](O)(CC)CCCCC[C@@H]1C[C@@H]1C	2243921321	JCKZLBKJGSYEBT-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cc(Cl)ccc1C	2244786793	XBLJMRBIPOECCH-FZMZJTMJSA-N	240.774	4.508	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H]1CCCC1=O	2244840959	BWTGVPKUHLKENA-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCCCCC(=O)CC[C@@H]1CCCCC12CC2	2246628151	WJRIOQFTCRWJEI-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
CCC(C)(C)[C@H](CC[C@@H]1CCC[C@H](C)C1)NC	2246725018	GMTLSPZKXKOLHT-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCCC[C@@H]1C[C@H]1C)CC(C)C	2247129520	OWIJDAFNPRQNTG-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCC1(C)C)C1CCCC1	2247417564	LYEWRHHGFVZNGY-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)c1csc(C2CC2)c1	2248073337	CSCKDCCXVXIGRO-GWCFXTLKSA-N	248.391	4.635	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)c1csc(C2CC2)c1	2248074073	LGLJWDLAACSZIJ-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
C1=C[C@H](Cc2nccc3sccc23)CCCC1	2248552972	UPFAHNRBDJCFPG-LBPRGKRZSA-N	243.375	4.585	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC1(C(C)(C)C)CCC1	2250351667	FNVJUGDHRMSQEP-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1(C(C)C)CCC1)NC	2250358172	KOYDVJWYMNQYIV-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@H](CC)CCC	2250359829	FPMFEHQLQPYTBB-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@@H]1CCCC(C)(C)C1	2250409531	QZGPHHQAVATURB-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@H](O)[C@@H]1C	2250481470	MBIHZGWARIIRBE-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCCN1CC[C@H](C)CCCC(C)C	2250515477	ZFCYYEARTFUKAT-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CCC1(NCC[C@@H](C)CCCC(C)C)CCC1	2250527738	KEADBUWHBWHGDF-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)NC[C@]12CCCC[C@H]1CC2	2251157979	LGWOVJFKDZETQD-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@](N)(CCC1CC1)CC[C@@H]1CCCCC12CC2	2253869099	VFHWDAFKXDVQCK-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC2CC3(CCCC3)C2)C1	2254113244	NUTZZFFTQDBQTN-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CC3(CC(C)C3)C2)CC1	2254161224	LUDNOHIGLCKOFX-CHTYNLMKSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(NCCCC[C@H]2C[C@H]2C)cc1C	2254541978	CZKLJBGKVHPKGO-CJNGLKHVSA-N	245.410	4.796	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1(CNC2CC2)CCCC1	2254586951	YTXGPPYQOMCWHN-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCCC[C@@H]2C[C@H]2C)c1	2254592681	NWRLYAOPBILMLE-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC[C@]1(CN)CC[C@H]1CCCC12CC2	2255262407	WFWCGEXSYSPVRL-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](CC)[C@H]1CC1(C)C	2256141289	GDGDZYPKWFXYEU-OCCSQVGLSA-N	249.373	4.625	0	10	BJAE	
CC1CC2(C1)CC(CC1(N)CCCCCCC1)C2	2259569131	KOHUUTQPGZGPSB-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)[C@H](N)c1cccc(C2CCCC2)c1	2260738766	XOSRJNWNEXERLI-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
COc1ccc(CCC=C(C)C)c2ccccc12	2263151040	AKGBHJZDVLRHPG-UHFFFAOYSA-N	240.346	4.747	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)[C@H](C)CC1CCC1	2298855238	YFNQOTUVFPMQOP-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)[C@@H](C)CC1CCC1	2298857199	FYELCOXDIAHKPD-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)[C@H](N)CCC=C(C)CCCC(C)C	2300917033	VDZJMFLGJQLMMI-HZPDHXFCSA-N	239.447	4.913	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(O)CC1CCCCCC1	2301138584	XJQHYDFSIGBEDF-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](N)(CC1CCCCCC1)C(C)(C)C	2301143862	XUQVPHJFNOBBOP-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@]1(N)CCCCCC1(C)C	2301841617	WLBSAMBCJBGZRR-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)NC(C)(C)C1CCCCC1	2301955252	ICKUQRBGNIZALT-KGLIPLIRSA-N	239.447	4.616	0	10	BJAE	
C[C@H]([C@@H](N)CCCC1=CCCCC1)C(C)(C)C	2302353411	FRGGVESTTZRYMP-HIFRSBDPSA-N	237.431	4.667	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](O)CCCCC1CC1	2302587663	UFXRIFVHWYXBID-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC[C@@H]1C(C)(C)C	2303401465	MPENOESJNHTKNN-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@@H](O)C2CCCC2)C1	2304447919	SOAJEKWGAXKWKB-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1(C)CC2(CCC2)C1	2307901347	YIZYBNGOGGMCGL-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC[C@@H]2C[C@H]2C2CC2)CC1	2308415094	WLXJMBRAJQYMMN-ORQFMDKSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)CC[C@@]23CCC[C@@H]2C3)CC1	2310373832	HXXDTDCSFMPZBM-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2312465160	PAKTWPBSQUCGQU-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312903598	RSIWQFHZFMJBOF-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC(CC1CC1)CC1CC1	2313594043	OIGJETHFPXYKRV-DYVFJYSZSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C(CC2CC2)CC2CC2)C1	2313607957	HFXHZWUQFRPBKU-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@H]1CC[C@H]2C[C@@H]1C2)CCCC(C)C	2316491465	OBKTZLVRFYDNCB-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
C[C@H](C(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2)C(C)(C)C	2317214897	SQICZIREVXTFFC-KBUPBQIOSA-N	248.410	4.620	0	10	BJAE	
CC(C)c1cccc([C@H](N)CCCCC2CC2)c1	2318883157	QPLCXIWSJPTLTI-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C[C@H]2CCCC[C@H]2N)CC1	2318951896	MJYRUWAFXXSBGX-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)[C@@H]2CCCC23CCC3)C1	2319029416	IQBPOHFNMVGWDK-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1CCCC[C@@H]2C[C@H]12	2319741030	MZRANMPWCFSSNL-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](C[C@](N)(CC2CC2)C2CC2)C1	2320615900	CHUWQSUIVMWODA-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@](CC)(CN)c1ccccc1	2328307777	URMQUNCWHZCLCP-WBVHZDCISA-N	247.426	4.510	0	10	BJAE	
CCC(CC)N[C@H]1CCC(C)(C)c2ccccc21	20525530	UUNQYIVNYZFURW-INIZCTEOSA-N	245.410	4.577	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(F)c(F)c1	21054269	VDZOHADLRLTHGK-QWRGUYRKSA-N	241.325	4.592	0	10	BJAE	
CSCOc1c(C(C)C)cccc1C(C)C	22011678	RBZRCFJUJMUGMO-UHFFFAOYSA-N	238.396	4.633	0	10	BJAE	
CCCCc1ccc([C@H](NCC)C(C)(C)C)cc1	35548060	OPXWZJQCNZTTFD-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cc(C)ccc2F)C1	71107668	WZTGACPYMUNIRC-CHWSQXEVSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCC[C@@H]1CC	71160899	YCVSPGQWOCZAQZ-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CCc1cccc(C)c1NCCC1CCCC1	78526257	OWKGNUUBFMDTGM-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](Nc2ccsc2)CC1	85527698	BXVOVQAZLAMCJA-STQMWFEESA-N	237.412	4.765	0	10	BJAE	
Cc1ccc(C(C)C)c2oc([C@H](O)C(C)C)cc12	88072502	CCHXGQHHVWSRAQ-OAHLLOKOSA-N	246.350	4.554	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)C1(C)CCCC1	94900551	RBZKXWGIKSEWJI-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cccc(OCC(C)C)c1	109905481	QLQHRFCTSMHXIJ-ZIAGYGMSSA-N	249.398	4.568	0	10	BJAE	
CCc1ccc([C@@H](C)N[C@@H](C)C(CC)CC)cc1	111665713	AQQNQYYPTHNJRC-UONOGXRCSA-N	247.426	4.724	0	10	BJAE	
CCCCCC[C@H](CC1CCCC1)NCC	124780355	PUHPXTNMEILRMH-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
Cc1cc(F)ccc1NCCC1CCCCC1	125026121	RVAAYLVDPGNMCH-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCCCC[C@](C)(O)c1ccc(C2CCC2)cc1	132923209	OQJVZBCSVCIUKJ-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc(C(F)F)c1	134499323	BLABNACEIDLBQY-LLVKDONJSA-N	227.298	4.615	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCC(C)(C)C[C@H]1C	155826547	FVTNZUWVEBUVMN-TZMCWYRMSA-N	249.373	4.761	0	10	BJAE	
CCNC[C@H](C1=CCCCC1)C1CCCCCC1	161447479	ILBYAWKEISNFBM-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC(C)Cc1cccc(C(=O)C2CCCCC2)c1	165523176	UWLZQGCYBYIXJN-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCCC(C)C)C1	165712531	ARYRRCLXWADMBV-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1)c1cccc(F)c1	166414858	YSDWXLDBIIUPBE-INIZCTEOSA-N	243.325	4.697	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)c1cccc(C)c1	169127971	BBGGCIYNFMYFRP-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCC(CCC)[C@H](N)c1ccc(C)cc1C	211738432	CERCXPSTQRZXDB-INIZCTEOSA-N	233.399	4.520	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC[C@@H]2C(C)C)c1C	214420245	SUBSBSZYLVYCQW-NVXWUHKLSA-N	245.410	4.930	0	10	BJAE	
CC1([C@@H]2CNc3ccc(Cl)cc32)CCCCC1	232911536	GMCCISTUNVNFQP-CYBMUJFWSA-N	249.785	4.820	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCC2(CC)CC2)CC1	233408157	SJJAGKIFCFMOKY-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC(C)(C)C[C@@H]2C)c1	235585965	QNZOSFZHSUVBFR-DZGCQCFKSA-N	231.383	4.540	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)cc1	250591851	LZMKXLHGERIFRU-XEZPLFJOSA-N	243.394	4.585	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCCC[C@H]1C(C)(C)C	252424678	IRYFWHJQRQSFMZ-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1n1ccc2ccc(F)cc21	301865285	QXHOOAYCGCFTRW-DOMZBBRYSA-N	245.341	4.922	0	10	BJAE	
C[C@H](CCC1CCCCC1)[C@H](N)c1ccccc1	305895182	DPIHVHCEVJNRBY-PBHICJAKSA-N	245.410	4.683	0	10	BJAE	
CC[C@@H](CCC1CCCCC1)CNC(C)(C)C	305944062	LXRGWDBYEUNVFP-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
Cc1c(Cl)cc2sccc2c1Cl	306593125	IVPVTTZLEPACGX-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CSc1cc2c(S)csc2cc1Cl	306990193	SYIGZFGYDCNUEC-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CSc1c(Cl)cc2sccc2c1S	307293565	MPHDLJHNNHHBRN-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)c1ccc(C)s1	307983934	AIPMMENNORSTJH-OCCSQVGLSA-N	240.412	4.552	0	10	BJAE	
Cc1ccc(Cl)c(O[C@H]2CCC[C@@H](C)C2)c1	309172879	AYTYAMFAPYGTGR-PWSUYJOCSA-N	238.758	4.606	0	10	BJAE	
Cc1ccsc1-c1[nH]c2ccccc2c1C	309347221	MAMLAHKHCYWBCQ-UHFFFAOYSA-N	227.332	4.513	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](O)(CC2(C)CCCC2)C1	310237207	IKNNQYOGMLBKIV-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)C2CCCCC2)CC1	310530340	PTHVIFFINNZBOE-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](Nc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2	314533542	ALGLDOIQRVPJLU-OXJKWZBOSA-N	249.785	4.577	0	10	BJAE	
CC(C)CCC[C@@]1(CNC(C)C)CCC[C@@H]1C	317662106	VUWSTOAKMZVHIQ-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@]1(CNC(C)C)CC[C@@H](CC)C1	317820521	CDDLOQWMNPCWDH-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1C)[C@@H](C)[C@H](C)CC	320098117	QDBLJSXHURKLHZ-KMFMINBZSA-N	247.426	4.636	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C(C)(C)C1CCC1	322896778	BXUUGTIOPQIPLT-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)c1csc(CC2CCCCC2)n1	379117799	YZUDCFDWVOLGKL-LLVKDONJSA-N	237.412	4.779	0	10	BJAE	
C[C@@H](CCC(C)(C)C)Nc1c(F)cccc1F	383166359	MTWOSUNFSIXXRO-JTQLQIEISA-N	241.325	4.592	0	10	BJAE	
CC(C)c1cnc([C@@H]2CCCC[C@@H]2C)s1	385099766	ZMNHROKJYHUPPY-WDEREUQCSA-N	223.385	4.560	0	10	BJAE	
CC1(C)CC[C@@H]1N[C@@H](c1ccccc1)C(C)(C)C	385112752	ATUYRGUGBZVIBW-GJZGRUSLSA-N	245.410	4.552	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCCC12CCCC2	385866920	XYVVVECATCTBCV-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CC[C@@](O)(C[C@H](C)c1ccccc1)C1CCCC1	387565113	ZGXVAYPFRINLRL-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
COc1c(C(F)F)cc(Cl)c2sccc12	396288463	HPMUMCZZUWJIIF-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CSc1cc(C(F)F)cc2scc(C)c12	396408539	PQEUAOYJODNILR-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CCC)[C@H]1CC1(C)C	397699755	RAUFRVHCEZTTSQ-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCSc1ccc(C(=O)CCC2CCC2)cc1	398650572	AWJRBPGFCMFXCQ-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC1CCC([C@@H](CC2=CCCC2)NC)CC1	400448697	FHOZRBOOQKSFJG-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCC1(COc2ccc(Cl)cc2C)CCC1	400856807	LDBGEKCOPWBWLB-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@]23CCCC[C@H]2C3)CC1	693545469	IMHPFZUMTCHFOX-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H](N[C@H]2CCC23CCCC3)CC(C)(C)C1	693795094	MPSMAPGPCQZEIA-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@H](CNC(C)C)CC(C)C	696676805	FYKOGGACJPLAOJ-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@@]1(N)CCC(C)(C)C[C@@H]1C	704463834	WETJTRLZBIKIAH-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@@H]1CCCC[C@H]1C	704798200	UHNNZJSZWUPUQT-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)CC1CCCC1	704914834	PKIOMFHFKMFUMT-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1C[C@H]2CC[C@H](C2)C1	710924920	MAYUDTNXMCLVTO-ITGUQSILSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)C[C@](C)(O)CC1CCCCC1	713200786	WLHZMFOLYFVYHO-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
C=C/C=C/CC[C@@H]1CCCCC[C@H]1CNCCC	713711012	QFHJGHOQJPQEFH-WBXGCANISA-N	249.442	4.705	0	10	BJAE	
C=C/C=C\CC[C@H](CCC1CCCCC1)NCC	713766168	XIUPRISBXLOPBT-KEGWNNHHSA-N	249.442	4.847	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714423429	KRPZKEXOFAVFTE-RRFJBIMHSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@H](C)c1ccccc1	718578255	IGWRCKZZGUBCFF-RDJZCZTQSA-N	245.410	4.515	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)c1coc(C)c1	718632807	JCRBBDPPNKMMKL-INIZCTEOSA-N	249.398	4.765	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@H]1C[C@H]2CC[C@H]1C2	719203759	KNKOWSYOKDEQEN-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCCCCC1(C)C	719241135	USHZVWBJIIKBQW-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@](O)(CC)CC1CCCCC1	723084607	FUZSDYDAXPHJCV-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@H](O)c1c(C)csc1C	724969655	ARURXQLPPVMJNQ-AWEZNQCLSA-N	240.412	4.615	0	10	BJAE	
CC(C)c1csc(SCCC(C)(C)C)n1	1307365142	FWVUIOCXDNLTPF-UHFFFAOYSA-N	243.441	4.795	0	10	BJAE	
C1=C(CCNC2CCCCCCC2)CCCCC1	1652127579	HACXWAFBIDFKEO-UHFFFAOYSA-N	249.442	4.970	0	10	BJAE	
C1CCC(CN2CCC[C@H]2CC2CCCC2)CC1	1654892808	GTKVRTAQKISZID-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CC=CCCCCC(C)(C)CC(F)F	1885362764	QGHUVPBJAXONLZ-UHFFFAOYSA-N	204.304	4.804	0	10	BJAE	
CC(C)=CCCCCCCC(F)(F)F	1901372091	POFXZPQKVTYBCV-UHFFFAOYSA-N	208.267	4.856	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)[C@@H](C)C(C)C	1901692703	ADHFKIGLDINNTA-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@H](CC)CCC	1905446155	TUCQSAKCAGJVBQ-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1cccc(Cl)c1	1905452663	DKQLXZBQWHACQA-RISCZKNCSA-N	239.790	4.556	0	10	BJAE	
CCC=CCN[C@@H](CC(C)(C)C)c1ccccc1	1912003383	XAHVROXZZLLAOS-INIZCTEOSA-N	245.410	4.720	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C1(CN)CC2(CCCCC2)C1	1912578283	GIAIPSJWZNHNJD-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
O=C(CC1CCCCC1)C1CC2(CCCCC2)C1	1912640639	LLFFPDOIFIXRGQ-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCNC[C@]1(CCC2CCCCC2)C=CCCC1	1916564646	PHAAJOJEGMDJOM-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCC1CC([C@H](O)CCCCCC2CC2)C1	1921163810	NAPZWTMFSXEGHI-UYSNPLJNSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H]1CCCC12CCC2	1921605346	NSXHDMZIMVYHRO-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(CC(=O)[C@@H]2CCCC23CCC3)CCCCC1	1921626491	CAJICUZBSQZUNI-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(CO)C1CCCCC1	1923885973	DJDGHDVNBCVBJQ-MRXNPFEDSA-N	240.431	4.638	0	10	BJAE	
C[C@H](C(=O)CCC1CCCCC1)C1CCCC1	1924139069	NOTHQAROBWTGSF-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC[C@@H]2C=CCCCC2)C1	1925942635	LBCDRQRZEBDGBT-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(Cl)cc1NCCCC1(C)CC1	1935928348	GETOSBUZPMRADF-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCCCCC[C@H](NCC)C1(CC)CCC1	1940116218	RMEVRXVHYGGXOP-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
Cc1ccc(C(=O)CC2(C)CCCCC2)cc1	1940379983	PXVRHYAEYDNIEH-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CC[C@@H](CCC(F)(F)F)Nc1ccc(C)cc1	1940761183	FPEIZLJOZFWING-NSHDSACASA-N	245.288	4.528	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)CCC[C@@H]1CC1(C)C	1940880383	ILEQTMHVRIASLY-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](C)c2ccc(N)cc2)C1	1940965901	IOMVUEKACYUUMR-UMVBOHGHSA-N	231.383	4.589	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@@H](CC)C(C)C	1941267282	PWZIIVKTUCLTHQ-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944202001	GSKKHQUKSZRONF-FXUDXRNXSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CCNc1ccccc1C1(C)CC1	1944597450	ZGNFNZGKOANHCJ-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCN[C@H]([C@@H](C)CC)C(C)(C)C1CCCCC1	1944632200	QNIHDSQBPYXRDI-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)C(C)(C)C1CCCCC1	1944665601	HNZFPSSRWFOYPH-DZGCQCFKSA-N	239.447	4.602	0	10	BJAE	
CCCCCCN[C@@H]1CCCCCCC1(F)F	1947299041	YOKDKRCKGQZCOD-CYBMUJFWSA-N	247.373	4.514	0	10	BJAE	
C[C@@H](C[C@H](N)CCCC1CC1)C1CCCCC1	1948934586	FBCDMQUEMYDSAE-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)C[C@@H](C)CCC1=C(C)C	1949001315	JBCKBDGKIVOLJI-RZLSGREXSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](C)[C@H](O)[C@H]1CCC2(CCCC2)C1	1949435455	TXNDPOFUVIMQKI-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCC(=O)CC1C[C@@H]2C[C@H]2C1	1950075881	CCWGSSPSXNHHQD-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNC2CCCCCC2)CC1	1950911330	NRKCIVDQMPWDRQ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CC2CCCC2)CC1	1950922671	PJUKUKZDPONTAY-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)CCCC(C)C)c1	1968230823	WRJPYUOBFDIKJN-HNNXBMFYSA-N	233.399	4.930	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(CCF)cc2)C1	1970103225	XWMKZMLZMOTNHS-XJKSGUPXSA-N	249.373	4.579	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H]1CCCC2(CCC2)C1	1970505644	SSDKPHKEWIPNAP-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCCC1CC(N[C@@H](CC)CCCC)C1	1970830369	ULQKWNIJMXJQLK-SLTAFYQDSA-N	225.420	4.514	0	10	BJAE	
CCC1(C[C@@](N)(CC)CCC(C)C)CCC1	1986958758	CTPZOCHVWZXAEZ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@](N)(CC)CCC(C(C)C)C(C)C	1988265497	YUNNWMBCWYRWCF-OAHLLOKOSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@](C)(N)CC1(C(C)(C)C)CCC1	1989466010	XAIRXJSTWDCXPX-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)Cc1csc(C(C)(CC)CC)n1	1995451625	DEUFHHRTRZRFGZ-NSHDSACASA-N	239.428	4.809	0	10	BJAE	
CC(C)(C)CC(C)(C)N[C@@H]1C=CCCCCC1	1995679979	JCSOMVYNVHMXIJ-CQSZACIVSA-N	237.431	4.680	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@](C)(O)C1(C)CCCCC1	1995990731	JPXALIVGZKKVMV-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1CC[C@H](C)C1)C(C)C	1996261393	VUFUMWPUALKURA-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCN[C@H](C)C1CCC(C)(C)CC1	1996560560	FRKUKXMNLVRWLU-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)[C@H](C)CC(C)C)CC1	1997118717	ZMDCSUKCPRBIHB-LVQVYYBASA-N	240.431	4.636	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)c2ccccc2Cl)C1	2000190238	KRVPJNPWWZIISN-ZYHUDNBSSA-N	248.753	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@H]1CC12CCCCC2	2001264185	WJQORKJLPFPAIT-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC([C@@H](C)C(=O)CC(C)C)CC1	2002925771	UEKRLDDFSPAYGG-WLYUNCDWSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@H]1CC[C@H](C)CC1	2003104403	UURQNMSPBWPPBI-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@@H](C)CCC(C)C	2003175541	KRXUWYCZRZGBBB-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](C)NCC1(C)CCCCCCC1	2004936804	FPHPLYVLXQXDQO-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CCNC[C@@H]1CCCCC1(C)C	2005583466	OGSRNOULPBDGOF-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCC1CC(C[C@@H](O)C2CCCCCCC2)C1	2007761620	TXJKTPCQVNSNIC-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)CC[C@H]1C[C@H](C)CC	2009407828	PMYPLFMKKIYSPO-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC=CCCCN(C)[C@@H]1CCCC(C)(C)CC1	2009572808	OXYALBQEEBJBDG-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CC=CCCC[C@](O)(CC)CC1CCCCC1	2009596487	RKIUDYNCAUSRSU-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)CNC(CC)(CC)C(F)F	2009703512	GDKTWXWDAHZBIT-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1CC(=C2CCC2)C1	2011094347	VKIUFVWFQJYFNN-GFCCVEGCSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)CCCC(=O)C1CC(=C2CCC2)C1	2011104031	WLJNNXGXJISQER-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC(C)c1ccccc1OCCC[C@H]1C[C@@H]1C	2011567381	BHOOIUKDWCBZKR-KBPBESRZSA-N	232.367	4.625	0	10	BJAE	
C[C@H](C(=O)CCC[C@H]1C[C@H]1C)C1CCCCC1	2011570570	TZZWZBTWBYNVSX-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CN[C@@H](CC)CCC(C)C)CCC1	2013266208	DRBGWZHZUDCKFN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](CC)C1CCCC1	2013267617	RYDIVEWOTZHTEC-JKSUJKDBSA-N	239.447	4.760	0	10	BJAE	
CCCNC[C@]1(CCC=C(C)C)CCC1(C)C	2014847149	UGEDURNFZCCRJY-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCNC[C@@]1(CCC(C)=C(C)C)CCC1(C)C	2014853935	NCLQFJLPZLTRPD-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC(C(C)C)C(C)C	2015276826	BECXPVQAQNIYKG-HOCLYGCPSA-N	241.463	4.848	0	10	BJAE	
CC(C)C(CCNc1ccccc1F)C(C)C	2015360612	KBIACYZEVNZULE-UHFFFAOYSA-N	237.362	4.556	0	10	BJAE	
CCCN[C@H](CCC)CCC(C(C)C)C(C)C	2015401519	STZGMQDDGMFLCB-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C[C@H]1CCCCCC[C@H]1N)C(C)C	2015411935	JOFFJTTWNVOVAY-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@@H](O)C1(C)CCCCCCC1	2016307866	NTZXAACFJGAWEK-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC1(CC)CCCN(CC(F)=C(C)C)CC1	2017463960	NTAJQROFOKPVGI-UHFFFAOYSA-N	241.394	4.542	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)CC(C)(C)C)CC1	2017650062	CNQXQMSIPNLDGL-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C(C)(CC)CC)CC1	2017657570	HFOBSYAPBTXGGA-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H]1C[C@H](C(C)(C)CC)C1(CC)CC	2017797500	KBNNXFUJYNGTPT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CCC(C(C)C)C(C)C	2017798476	OGYXSHKGVXNQPG-MRXNPFEDSA-N	241.463	4.848	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCCC[C@H]1CC	2018083373	NWUMJUHMQLRPOB-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCC12CCC2	2018131256	SCAYMRLTGAOJOS-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2022414227	HZSXCVDUMUNDMR-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC=C(C)C)NCC	2023329713	BWMDXPGZCXMZCI-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
C[C@H](CC1CCC(C)(C)CC1)c1ccc(N)cc1	2027938265	DASCPCDXDFRZJS-CYBMUJFWSA-N	245.410	4.979	0	10	BJAE	
CCc1ccc(C(=O)[C@H](CC(C)C)C(C)C)cc1	2028257215	HPMBHBIEYHCKBW-MRXNPFEDSA-N	246.394	4.750	0	10	BJAE	
C[C@H](C[C@@H](O)CCCC1CCC1)c1ccccc1	2028494634	BHYLWXIOQSDUIK-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
CC(C)(C(=O)CC1C[C@H]2C[C@@H]2C1)C1CCCCC1	2032296544	DQAKGWZUDMICHK-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@H]1CCC(C)(C)C1	2033404798	XOVRFGMVIYXGIV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@H]2C=CCCC2)cc1	2035586630	BUBFDJNHCSWRIO-WMLDXEAASA-N	243.394	4.556	0	10	BJAE	
CC1(C)C[C@H]1CCCN[C@@H]1CCCCC12CCC2	2035886819	NFEGFNSGZVIKNS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1[C@H]2CCCCCCCC[C@@H]2C12CCC2	2035893104	YIMGGHBQCUYSTH-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C1=CCCCCCC1	2037075462	IYMBWDCYBFEVSK-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC2=CCCC2)CCC1(C)C	2037871923	SQEAGFQXNFEXLY-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccc2c(c1)CCCC2	2038360911	RULRXGIOUFJRCZ-MRXNPFEDSA-N	243.394	4.556	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@@H]1CCC2(CC2)C1	2038585112	AKXNQVGRHYILER-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@@H]2CC23CCCCC3)C1	2039011095	DTPVHZZXIHXNKC-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2CC23CCCCC3)C[C@H]1C	2039012624	QPNNFDBRMAAEQW-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C)NCC1CC2(C1)CC1(CCC1)C2	2039457446	HMMGYEPLYYIHAF-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CCc3cc(N)ccc32)C1	2045511496	JHSYDWMOGUUYGM-XJKSGUPXSA-N	243.394	4.515	0	10	BJAE	
CCC[C@@H](NC1CC2(CCCCCC2)C1)C1CC1	2046233146	IVBWMPWNHIJUHV-MRXNPFEDSA-N	249.442	4.658	0	10	BJAE	
CCN(c1cccc(C)c1)C1C[C@@H](C)C[C@H](C)C1	2046567439	DNJOTBCPPXBLLN-GJZGRUSLSA-N	245.410	4.646	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2C=CCCCC2)C1	2049515616	SHHFCAUJHGIQKD-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CN[C@H](C[C@@H]1CC12CCCC2)CC1(C)CCCC1	2049805360	XXZGFWOLUDZQOZ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)CC1CCC2(CC1)CC2	2049844734	DCKBERLMPOWIQG-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@H]2CCC3(CC3)C2)C1	2049856140	PZKVZPCXXLGAHF-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cnccc2C(C)C)C1	2053852867	BTTKHGUSWSVFNX-KBPBESRZSA-N	246.398	4.586	0	10	BJAE	
CCCC1CCC([C@@H](C)N[C@@H]2C=C(C)CC2)CC1	2055852823	QVLDRZAQPKYWGA-VXLLPVPCSA-N	249.442	4.680	0	10	BJAE	
Cc1ccc([C@@H](N)CC2=CCC(C)(C)CC2)cc1	2061143278	JIYQSSUSDWKYNT-INIZCTEOSA-N	243.394	4.521	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)[C@H]1C=CCCC1	2062654002	XGBJITNVKOYVDO-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
N[C@@H]1C[C@@H](CCC2=CCCCC2)CC2(CCC2)C1	2063634841	GUOMMGAGPSLAHQ-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CC[C@@]3(C)C[C@H]23)CC1	2065662615	BZFZERPCQXASRV-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C[C@]2(O)C=CCC3(CCC3)C2)CCC1	2069339543	KPVXQRCJLHMKFU-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2(CC3CC3)CCC2)C1	2069502783	ADIAGAWCUUENOQ-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC1([C@@H](N)c2ccc(C(C)C)cc2)CC1	2069514871	UYAKKBKOIZYABV-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CC[C@H](C)n1ncc(C2CCCCC2)c1Cl	2070302038	SNEAOIBILRCZSB-JTQLQIEISA-N	240.778	4.555	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1(C2CC2)CCCC1	2070408699	QGGKBAKYKCUMQP-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@H](N)CC2(C(C)C)CCC2)cc1C	2071949779	OZIVAJOMJZVPKS-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CC[C@H]2C[C@H]2C)cc1	2072081801	LMUZHXSQRMFHRM-ZENOOKHLSA-N	244.378	4.819	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)C1(C)CCC2(CC2)CC1	2072423557	IEUNJNRKRLXOAI-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)CC2CC3(CCC3)C2)CC1	2072799366	RZUUKZRIBIPFGH-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCCNCC1(C[C@]23CCCC[C@H]2C3)CCCC1	2074033824	NOGTVVWQQTUSLF-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC(C)CN(CC1=CCCC1)C1CCCCCC1	2076545307	IUGOGDOFLIMBQO-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@@H]2C2CCCCCC2)CCC1	2079490477	BTERZSOVFVNYTD-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](N)c1ccc([C@@H](C)CC)cc1	2079518176	GKGDTSTYEOUNTI-IEAZIUSSSA-N	245.410	4.636	0	10	BJAE	
CCNC[C@]1(CC=C2CCC2)CCC[C@H](CC)C1	2081684959	ZEDVSXAKVBJTBC-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CN(CC=C1CCC1)C1CC2(CCCCCC2)C1	2081799055	ZBDASZVWNNLYPI-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CN(C1CCC2(CCCCC2)CC1)[C@@H]1C=CCC1	2081803217	VWNXNKAFZGAWFQ-OAHLLOKOSA-N	247.426	4.530	0	10	BJAE	
CCc1cc(F)ccc1NC[C@H]1C=CCCCC1	2081955699	AAJNFMQBILCYRB-ZDUSSCGKSA-N	247.357	4.546	0	10	BJAE	
C[C@@H](C[C@H]1CCCC(C)(C)C1)c1ccc(N)cc1	2082977415	ZEAYFAWNWOSQGV-UONOGXRCSA-N	245.410	4.979	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)C[C@@H]3CCC[C@@H]3C2)C1	2082977510	ZTPXCPZIDQKDDC-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)C1	2082982613	MAKOSYMNQCXJAY-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cc(C)c(Cl)cc1F	2210736962	LHRDFYULXWFCPD-PSASIEDQSA-N	243.753	4.634	0	10	BJAE	
N[C@H](CCCCCCC1CC1)CCCC1CC1	2213572283	UDICCORIQRXMPS-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CO[C@H](C)c1ccc(CCC(C)=C(C)C)cc1	2214076964	PSRXLFRMHBRCFE-CQSZACIVSA-N	232.367	4.683	0	10	BJAE	
C[C@@H](CC(=O)CCC1CC(F)C1)CC(C)(C)C	2215038645	OHLUEYYBOBDHEV-HIFPTAJRSA-N	242.378	4.546	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1cccc2ccsc12	2215308765	YVJWKXAPKMYBNH-YPMHNXCESA-N	245.391	4.749	0	10	BJAE	
CC1(C)CC(C)(CC[C@H](O)CC2CCCC2)C1	2215380740	XTSBHULONCXUSZ-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@]1(CN)CCCCCCCC1CC1	2216875933	AGBLTHKXVRSHFU-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@](C)(CNC1CCC1)C[C@H](C)C(C)C	2217128198	YYGUSZAXHQYVGZ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CCC(C)(C)C)C=CCC1	2217129149	JRMNFXXHRXUQEQ-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](N)(CCCCCCC1CC1)c1ccco1	2218718764	QXDGPZOCCBKNEW-MRXNPFEDSA-N	249.398	4.594	0	10	BJAE	
CN(CCCCCCC1CC1)[C@H]1CCC2(CC2)C1	2218750819	RUDUXIVYEBETHA-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1(C)CC2(CCC2)C1	2221002230	KDSNYWGTLPYIFF-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC=CCN1CCCCCCCC1CC1	2223105139	GQGSXVIYPDFCAY-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1NCCCCCCCC1CC1	2223117949	LKPREJXOWGEWTJ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CN[C@@H](C)CC)c1cccc(C)c1	2223551850	SUJWMGUANZSHHD-RDJZCZTQSA-N	247.426	4.657	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)c1ccc2occc2c1	2224168885	XKLSEKFSTZTHCV-LRDDRELGSA-N	245.366	4.520	0	10	BJAE	
CCSCCCCCCCCCCCCO	2245253886	NZLLGPUMZNDUDQ-UHFFFAOYSA-N	246.460	4.633	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@@H]1CCCCC12CC2	2246614941	PNQKVDZCAQGAOG-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CC[C@@H]1CCCCC12CC2)C(C)C	2246632312	XCKLBQFUANCIPI-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC[C@](CN)(CC[C@@H]1CCC[C@H](C)C1)C(C)C	2246659634	JUTVXGIATAQGFV-HRCADAONSA-N	239.447	4.604	0	10	BJAE	
CCCCCC[C@](C)(O)C1CC2(CC(C)C2)C1	2247057700	MBHVZAYGJBDCME-UFFJXHMVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CCCC[C@@H]1C[C@@H]1C	2247119065	JKKAQFIXNQGHPT-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CCCC[C@H]1C[C@@H]1C	2247125297	XVSDOXCRQQKAIK-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCCC1(O)CCCCC1	2248819449	KEXHLYQVBKTGGW-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
FC1CCC(Nc2ccc3sccc3c2)CC1	2250125487	RNKSDVYKJHEGLJ-UHFFFAOYSA-N	249.354	4.594	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1CC(C2CCC2)C1	2250361332	LRKUJESZRDARJM-JVWICGRDSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@]12CCC[C@@H]1CC2	2251215623	LSCPSQCFABDVKO-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
Cc1occc1C(=O)CC[C@@H]1CCCCC12CC2	2253800037	GEIVDMRNHDCNLN-ZDUSSCGKSA-N	246.350	4.521	0	10	BJAE	
CCNC[C@]1(CC[C@@H]2CCC[C@H](C)C2)C=CCC1	2253940071	XRMOWMJPZJOMMZ-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2CCC23CCC3)CCCCC1	2255014335	BQSLOYFFAVPJNR-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H](N)C1CC2(CCCCC2)C1	2255027892	MTHKDPUCWLVXLL-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CN(C)C2CCC=CCC2)CC1	2257937988	APLOZRPVYXOQLH-WKILWMFISA-N	249.442	4.633	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1)[C@H](CC)CCC	2259446118	YFNWPRPDFJBRIJ-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cccc(C2(C)CC2)c1	2259451704	FBOLSRQHZBYYIW-BBRMVZONSA-N	246.394	4.598	0	10	BJAE	
CCC[C@H](CC)CNCC[C@@H](C)c1ccccc1	2259464707	RXZYSTHFMGLMLZ-CVEARBPZSA-N	247.426	4.596	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CCC(C)(C)C1CC1)C2	2259583535	NWDIVMUTDIDGPT-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCN(C[C@]12CCC[C@@H]1CC2)C1CCCCC1	2260615240	DNFSLONVGQGXRF-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccnc(C(C)(C)C)c1	2260746502	LHZNSNYAPDVDST-LBPRGKRZSA-N	248.414	4.616	0	10	BJAE	
CN[C@@H](CCC1CC(C)C1)C[C@H]1C=CCCCC1	2261493953	VBYKNBOJNNYOJC-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CCC[C@@H]1C(C)C	2300684126	QQHJJTLUDBWWDI-OAGGEKHMSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1(C)C(C)(C)C1(C)C	2300684396	UEGSZGCLBTXTKY-CYBMUJFWSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@@H](C)[C@H](C)CNC(C)(C)C	2300699293	FRUMQCOZEJBTKQ-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCC(C)=CCc1ccc(C(F)(F)F)c(F)c1	2300862246	BEUMAUVPCFGITI-UHFFFAOYSA-N	246.247	4.743	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)CC1CCCCCC1	2301142800	MUKURENIKWZGHJ-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CC1CCCCCC1	2301247906	UYJAZJJKRZKLQD-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CCCc1ccccc1O[C@H](C)[C@@H](C)C(C)C	2301840980	RPRZHVIWMDZAFX-UONOGXRCSA-N	234.383	4.699	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(N)C[C@H]1CCCC(C)(C)C1	2301944542	GVURMDRWNOBYFH-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1CC(C)(C)[C@H]1C	2302081459	AXJWWMKCYADAFW-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC1=CCC[C@]1(O)CCCC1=CCCCC1	2302353249	CVSUUCWENHLGDX-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
Cc1ccccc1OCCCC1=CCCCC1	2302362357	YFJMVAQMYMEWCA-UHFFFAOYSA-N	230.351	4.654	0	10	BJAE	
CC(C)CCCCCNCCCC[C@H]1C[C@@H]1C	2302488684	CROFYKZXJLHNFN-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](CCCCC1CC1)CCCC1CCC1	2302571709	MXQMNKUUOOZQPT-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@@H]1CCC(C)(C)C1	2302709113	FIWRDMQMCIGZFE-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CC1=C(C)C[C@@H](COc2ccc(C)cc2)CC1	2303532539	QFINTBMLIJNGTM-HNNXBMFYSA-N	230.351	4.510	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CCC(C)=C(C)C1)NC	2303582073	DINDPWBNGASOOM-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNCC)CC[C@H](C)C1	2307764397	WQSDOBWXKPDNES-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)C1CC(C)(C)C1	2307907973	FLVBCMUCSSMQLH-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CN[C@H](C)CC)C(C)C	2307924923	PVSLSPRGNXCKOS-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309181356	YFTWQSXGOJWHPV-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2C[C@H]2C2CCCC2)C1	2311571015	CUWIVQCYYPEBKD-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](C[C@@]23CCCC[C@@H]2CC3)C1	2313322842	OWDDFXPDDDKQNG-MPTYRVRUSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@H]([C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313349148	SUIAPRHNISGINZ-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1cccc(F)c1C	2316508406	JXQCXLBDVBKXIE-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
N[C@]1(CC2CCCCCC2)CCCCC12CCC2	2316884244	GYNPXQOILOGXGW-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
C[C@H](N[C@H]1C[C@H]2CCC[C@H]1CC2)C1(C)CCCC1	2316947654	UBBQAHOGCBVFLT-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1[C@H]([C@@]2(N)CCCC23CCCCC3)CC1(C)C	2318259593	SWDMKTQGXSACGL-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1([C@](C)(N)CCCC2=CCCCC2)CCCC1	2318544099	VJSDGTIIOIVSGE-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@H]1C[C@@H]1C1CCCC1	2318878960	RAWORYJOLIMYQZ-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC[C@@H]2C[C@@H]21	2319535095	MZRANMPWCFSSNL-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@@]1(C[C@@H]2CCC(C)=C(C)C2)CC1(C)C	2320326550	GGXGDSKDEHSGCS-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
C=CC=CCC[C@H](O)c1cccc(C2CCC2)c1	2320652539	WOPRBCQBLACKTL-KRWDZBQOSA-N	242.362	4.510	0	10	BJAE	
CCC1CCC(C(=O)[C@@H](CC2CC2)C2CC2)CC1	2320703719	VABVJBUYXOIRKN-MOQPWLNLSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](C)C2CCCCC2)c1	2321091327	KWCWBDZWKSKWST-LBPRGKRZSA-N	249.373	4.769	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccc(O)c(C)c2)c1	2327680202	IUHKRDVPLVZSSV-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1cc(C)ccc1C(C)C	2327681941	OIMVRQMNPGBNGZ-DYVFJYSZSA-N	247.426	4.815	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1C[C@H]1c1ccccc1	2328303067	ZMGZICURTFMZBV-BPUTZDHNSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cccc(Cl)c1	20564210	GDFWWWWZHXRRHS-DGCLKSJQSA-N	239.790	4.967	0	10	BJAE	
CC[C@@H](C)N[C@@H](C)c1sc2ccccc2c1C	37186587	KHXPZQSMIZJVCF-PWSUYJOCSA-N	247.407	4.659	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@@H](C)C1CCCCC1	37294633	YFRFOKLXVIEVLU-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)c1cc2ccccc2o1	62797918	AJROIXVQOMNIAR-JSGCOSHPSA-N	245.366	4.520	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1cccc(SC)c1	70977212	AJXHDWYMDVEUNX-WFASDCNBSA-N	249.423	4.789	0	10	BJAE	
CC(C)(C)CCNc1cccc(Cl)c1Cl	71085728	PFPRPMBLUDHMIR-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
CC1CCC([C@]2(O)CCCC(C)(C)CC2)CC1	86920058	QLOXHKCNRFOLHK-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](Nc2ccccc2F)CC1	86922634	HMBDIDOWANUKNC-KGLIPLIRSA-N	249.373	4.843	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)C1CCCCCCC1	87690261	RIFFVHBBRLHHOV-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCNC[C@@H](CCC(C)(C)C)c1ccccc1	88097903	JWLBUQBPZMJPKO-MRXNPFEDSA-N	247.426	4.596	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cc(C)cc(F)c2)C1	91510742	XPVLTXCOGVJTQE-JSGCOSHPSA-N	235.346	4.515	0	10	BJAE	
CCC1CCC([C@@]2(O)CCCCC2(C)C)CC1	94284603	TVWYYVJNZOXMSN-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCC(=O)CC[C@@H](CC)c1cc(C)ccc1C	107531373	UEQCRUSKMLWIOW-CQSZACIVSA-N	232.367	4.556	0	10	BJAE	
Cc1ccc(C)c(Cn2c(C)cc3ccccc32)c1	111550442	XCTAPYQHDOARGV-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cccc2ccccc12	112887171	SPBQXKDKWSNALH-GUYCJALGSA-N	242.362	4.700	0	10	BJAE	
CC(C)C[C@@H]1CCCCC[C@@H]1CNC(C)(C)C	131058002	QWALQSPZVRESLI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@]1(N)CCC[C@H](C(C)C)CC1	148000865	ZLFHZDLXPKUALB-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CCCC(C)C)CNC(C)(C)C	166062856	YBHKHFPJXKSBFE-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc(CC(C)C)cc1	167179167	PGRAAEUEOBYEHE-CYBMUJFWSA-N	232.367	4.504	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCCC1(C)C	226780062	VVVAUIREFACQKK-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC(c2c[nH]c3c(F)cccc23)CC1	232832909	NRSZYGSSPIDBSO-UHFFFAOYSA-N	245.341	4.991	0	10	BJAE	
CCC(CC)C[C@H](O)c1scc(C)c1Cl	232888771	HGCBYPQGZQJIRA-JTQLQIEISA-N	246.803	4.570	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H](C)c1ccccc1	232993136	CKKMWHLFPKJEQW-CABCVRRESA-N	246.394	4.966	0	10	BJAE	
CCN[C@H](CC1CCCC1)C1=CCCCCCC1	233624006	MEXAENVGDKMGJU-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2c(C)cccc2C)C1	234112513	YCCCSJANHCNRFA-LSDHHAIUSA-N	244.378	4.703	0	10	BJAE	
CCCCCOc1ccc(-c2cccs2)cc1	248290557	SMHURAHEZFALJZ-UHFFFAOYSA-N	246.375	4.984	0	10	BJAE	
C[C@@H]1CC[C@H](Oc2ccc(Cl)cc2)C[C@H]1C	251589261	CGIINAGPNOEFBK-GYSYKLTISA-N	238.758	4.544	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2CC(C)=C[C@@H](C)C2)C1	300079163	QUZIWJVUPLEWHP-DZUCGIPZSA-N	249.442	4.537	0	10	BJAE	
CCc1c(Cl)ccc2c(SC)csc12	306965840	KTAYKGPKWVLREG-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC1CCC([C@H](O)[C@H](CC)CC(C)C)CC1	308010131	ABZJPORCJMNDIY-GYTBAZASSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)C1=CCCCCC1	308076483	KURQVDVYVMXGPE-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(O)CCCC(C)(C)C	309992154	RXIPKHWXFRWMRR-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC1CCC(C)CC1)c1ccco1	311093508	IQTCHAJVVASBFH-YMAMQOFZSA-N	249.398	4.537	0	10	BJAE	
CNC[C@]1([C@H]2C=CCCCCC2)CCC[C@@H](C)C1	316725821	AEKJDFDAHNPXGZ-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CCC[C@@](CNC2CC2)(CC2CCCC2)C1	317831567	WFENDNURRMEOPH-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCC[C@@H](C)C1)C1CCC1	322864294	UVCUWOJSJOYCRU-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc(-c3ccccc3)sc21	379714568	INIVEJPCFVCIKQ-MNOVXSKESA-N	243.375	4.811	0	10	BJAE	
CCCCC[C@@H](CC1(CC)CCC1)NCCC	379797896	LSEDQOWWLZQVAB-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1C[C@H]2CC[C@H]1C2	383139523	MDQGYJIOEHYPDO-KKUMJFAQSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1C)C1CCCC1	387668815	PIPQZPICJOBCDP-HNNXBMFYSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H](C)c1cc(C)cc(C)c1	388594634	NLLFFWKZAUFODF-INMHGKMJSA-N	245.410	4.533	0	10	BJAE	
CCOc1cc2sccc2c(CC)c1Cl	396186263	GCBAHNWTSFVWIA-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1ccc(C(F)F)c2c(F)csc12	396194502	IBKUWIMUULCLBK-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cc(C)cc2c(C(F)F)csc12	396226366	RHDIUTYMAMGWCO-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1ccc2c(C(F)F)c(S)sc2c1	396254998	WKYDCRAOLIFMBC-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)c1ccc(C)cc1	398615655	BZIWMPKAXUNNLF-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3C[C@H]2C3(C)C)cc1C	400640434	JJKLGPPOTGCYJM-NUEKZKHPSA-N	243.394	4.540	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@@H](CC)CC(C)C	401119764	NTFYRXWKMIPHHW-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC(C)C)CC1(C)CC1	401394527	KXFGBLVSLMXUDN-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCCC1CCC1)NCC	688369469	RGVRLNVPDWIASN-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCCCC[C@H]1CC	691096617	BQAYVEYWHPEROH-NUEKZKHPSA-N	239.447	4.760	0	10	BJAE	
CC1CCC(C[C@@]2(O)CCCCC[C@@H]2C)CC1	691186386	MLOMGUOWHCPEAD-GRAKBVBRSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C(=O)c2ccc3sccc3c2)CC1	691841781	PZBDJOCGFVZLPL-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC23CCCC3)c(C)c1	694353896	YGLWVTQMWISEKZ-OAHLLOKOSA-N	243.394	4.747	0	10	BJAE	
CC(C)=CCCC(=O)C12CC3CC(CC(C3)C1)C2	697789040	IYQDJJQNQWNNJJ-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C(C)(CC)CC	701197105	DWZGKKGPOUQNAB-KGLIPLIRSA-N	227.436	4.602	0	10	BJAE	
CCN[C@H]([C@@H](CC)CC(C)C)C(C)(CC)CC	701225927	LTDPRKHYHAMEON-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C/C=C/[C@@H](NCCC)c1csc2ccccc12	704672991	VFOXYEOVBJJWDC-UFZAZABTSA-N	245.391	4.518	0	10	BJAE	
CCc1ccc(CC)c([C@@H](O)[C@@H](C)CC(C)C)c1	704742261	ROTMXDCSHCKBFP-GUYCJALGSA-N	248.410	4.527	0	10	BJAE	
CC1(C)CCC(CNCC[C@@H]2CC=CCC2)CC1	706861268	IHZVHJQWVUENGE-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@H](C)CC(C)(C)C	708311579	FRNXYDGKTPUJMU-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)C[C@@H](C)CC(C)(C)C	709071137	MKGVKDQLBUCVFG-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H](C)CC(C)(C)C)NC	709128962	NIJXGKPVJAHPHQ-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC(C)(C)C)C1(C)CC1	709183163	DQVUURVFQOBMDD-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H](C)C(C)(C)CC	710023332	GUQRBAISWVBNSH-IHRRRGAJSA-N	227.436	4.616	0	10	BJAE	
Cc1cscc1NC1CCC(C2CCC2)CC1	710202181	HIEIXVQLMGQTOX-UHFFFAOYSA-N	249.423	4.827	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@]12CCCC[C@H]1C2	710368924	OEZAVGRMBVXSSP-OFQRWUPVSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)C(C)(C)C)C(C)(C)C	710757681	AGGMBVRMEMYLMB-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C[C@@H](NC)[C@@H](C)CC(C)C)C(C)(C)C	711091476	AANMYFXDMSKKSR-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC(C)NC[C@](C)(CC(C)(C)C(C)C)C(C)C	713210797	HXFHDZZHEOVJSP-INIZCTEOSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@@H]1CCCCC1(C)C	713368983	RTFLNBVKHHONFH-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)CCC1(CNC)CCC=CCC1	718037039	IILAUFYBBIUPRE-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(CC)[C@H](N)Cc1ccc(C(C)C)cc1	721701186	DCEWJMBVXORBJU-MRXNPFEDSA-N	247.426	4.506	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C[C@H]1CC1(C)C	722664451	JRYVJVHAMPCOQG-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@]2(N)CC[C@@H]3CCCC[C@H]3C2)CC1	723612264	JMLKEYOUEWIWSO-QDZBGDLPSA-N	249.442	4.501	0	10	BJAE	
CNc1ccc(OC2CCCCC2)c(C(C)C)c1	725420581	CLWZMWBUXGJFSP-UHFFFAOYSA-N	247.382	4.563	0	10	BJAE	
CC(C)=CCCN1CCCC2(CCCCC2)CC1	1307685067	BZXMAXMUGMXLFB-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1NC1CCC2(CCCCC2)CC1	1308557085	DTFBFTFCBSETQX-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CN(C)[C@H]1CCC(C)(C)C1)CC(C)(C)C	1460051103	ZSWVMGITLFXBKM-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
O=C1[C@H]2CCCCCCCCC[C@H]1CCCC2	1614949717	MXAVNTFDINSRQV-GJZGRUSLSA-N	236.399	4.886	0	10	BJAE	
C1=C[C@H]2CC[C@@H]1C[C@H]2CSCc1ccccc1	1651733202	RZINOAXUGFMSRA-KBMXLJTQSA-N	244.403	4.522	0	10	BJAE	
C/C=C/CCCC[C@H](C)COCc1ccccc1	1880242479	GEXJTHFGHHXZGJ-CWDCEQMOSA-N	246.394	4.976	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)C1(C)CCCC1	1900710802	AFWXSRRQGJPOEJ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)C(C)(CC)CC	1905357908	DKUSWTBXZAPRMA-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1cccc(Cl)c1	1905391083	PGLYMDQNPDHKDW-SMDDNHRTSA-N	240.774	4.590	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1cscc1CC	1905441833	AWNCUXQLIGFJKJ-RISCZKNCSA-N	240.412	4.560	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)CCC2(C)CC2)C1(C)C	1908081601	JSWGLHIGEMQHBK-MLGOLLRUSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	1908087067	WHPOEFKLUDWCSA-NFJGJZHWSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC[C@@]12CCC[C@@H]1C2	1908408951	GZWULQBBYDQYGI-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCNCCC=C(C)C[C@@H](C)CC(C)(C)C	1911923641	SUUPOIFIGYFTKW-OAHLLOKOSA-N	239.447	4.785	0	10	BJAE	
CC=C[C@H](NCCC)c1cccc(C(C)(C)C)c1	1911972225	YLCVJLOJHSRQAC-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
C=CC=CCCOc1ccc([C@H](C)CC)cc1	1912027822	SJJDQWNXFWUGKL-CQSZACIVSA-N	230.351	4.711	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H]1CCC[C@@H](CC)C1	1912110444	DISXLCYOGGMZFK-IKGGRYGDSA-N	249.442	4.703	0	10	BJAE	
CC1(C[C@H]2CCCCCCCCC2=O)CCC1	1913387713	AEBRNQVCLSKTFJ-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
CCCC1CC(CO)(C[C@H](C)CC(C)(C)C)C1	1921189760	APARLQFPANPRDL-VQCLRJIVSA-N	240.431	4.638	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@](C)(N)CC1CCCCC1	1921564115	QKCIBBLGNMYCJE-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)[C@@H](C)C1CCCCC1	1924111389	OJYMQYXXBGJFMJ-DZGCQCFKSA-N	239.447	4.602	0	10	BJAE	
FC(F)c1cccc(C[C@H]2C=CCCCC2)c1	1925868991	DRRAINBCZUNVDS-LBPRGKRZSA-N	236.305	4.913	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)C1(C)CCCCC1	1925889572	BKNMSBKUTGKSEQ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@H]1C=CCCCC1)C(C)(C)C	1925926571	SGHQFKQCAQRSML-QLFBSQMISA-N	238.415	4.556	0	10	BJAE	
CCCNCCC(C)(C)CC1(C)CCCCC1	1940405653	CTTKACZBUIYPJO-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC1([C@H](CC2(C)CCCCC2)NC)CC1	1940406797	HGINNDHQAYAEQW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)CC1CCCC1	1940877599	QKGDYJSPCAZLGH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H](F)CNC1CCCCCCCCCCC1	1941241533	RJYFMAOXHOMYHL-AWEZNQCLSA-N	243.410	4.607	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)c1ccsc1C	1944454190	VIVIUPNIOPXPHP-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CC[C@@H]1[C@@H](C)[C@H]1Oc1cc(C(C)C)ccc1C	1945669751	RPJVXUMGFIPXHW-XNRPHZJLSA-N	232.367	4.542	0	10	BJAE	
Clc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)cc1	1946346802	ZXLTYVYVNZIKRH-BYCMXARLSA-N	249.785	4.721	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCCC2(CCCC2)C1	1946454326	FQCXFVYBIVMYKI-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1c(C)coc1C	1947524893	DUGZHVUGGIJFRC-UONOGXRCSA-N	238.371	4.536	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H](C)C1CCC1	1949039072	AOLCOQSRBJYZRR-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCCc1cc2ccccc2s1	1961400141	WFQJBPJADRAXPT-UHFFFAOYSA-N	216.349	4.800	0	10	BJAE	
C[C@H](CC1CCC1)NC1CC(C2CCCCC2)C1	1967796116	LOGQCNMWBSNGIL-NVPAJSRCSA-N	249.442	4.514	0	10	BJAE	
C[C@@]1(CNCCCC2CCCCC2)C=CCCC1	1967836564	GUZLPDFVLWXJHA-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)c1cc(C)cc(C)c1	1969367604	UUKNSUGQYNDOGO-WBVHZDCISA-N	247.426	4.923	0	10	BJAE	
CC1(C)CCC(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)CC1	1969738367	QKFMQPLQTIUZIX-MIFYACCESA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@H]1CN[C@H]1CCC12CCCC2	1970081143	BSEPLDFMTYZTGB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1ccccc1Cl	1980680829	KHVIVFKRORMYSI-CQSZACIVSA-N	240.774	4.590	0	10	BJAE	
CCN[C@@H](CCCCC(C)C)c1cccs1	1980691444	CIFZAAGCVWJAHU-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CCC(C)(C)CC[C@@](O)(CC)CCC(C)C	1986937746	KNXMNKBUIGJAQK-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CCCCCC[C@H](C[C@@H](C)C(C)C)NCC	1988225961	GVXDXZUMZKJYBR-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cc(Cl)ccc1C	1993485075	XTYUAISDLBGRRR-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CC(C)[C@H]1CC[C@H](Nc2cccc(Cl)c2)C1	1994914735	QVJOYACXLNAHNZ-FZMZJTMJSA-N	237.774	4.577	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1C=CCC1	1995215574	WUPGBLUHSNYVFU-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@H](C)C1(C)CCCCC1	1995991356	ORPMPCXBWVMQIG-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC1C[C@@H](C)C[C@H](C)C1	1996612153	HKJCETBZJDEYLZ-KCQAQPDRSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](CC(C)(C)C)NC[C@H]1CCC[C@@H](C)CC1	1997105548	NMTFZYDBPDPRQZ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
Cc1cc([C@@H](N)C[C@@H]2CCC=CCCC2)cs1	1999990603	LFSGZSQZHLWAMZ-HIFRSBDPSA-N	249.423	4.583	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](O)CC2CCCCC2)C1	2000029646	ZQIACRAAFXHTAY-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(CC(=O)[C@H]2CCCC(C)(C)C2)C1	2000104110	BYXPXZQYMRZWJK-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCCC(C)(C)C1)NCC	2000175889	ICUVLWZDFHSUCI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C=CC=CCC[C@H](CCCC(C)C)NCCC	2000370404	CDLFTBQZAWBSEK-MRXNPFEDSA-N	237.431	4.703	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@@H]1CC)C(CC)(CC)CC	2000375271	ALAILPDZIZNHFW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CCCC1(C)CC1)CNC1CC1	2000517652	GJYIJBUPZXYRPY-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)[C@@H]1CC1(C)C	2000518433	OEGXEYCISCCPCT-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)C(C)=CC1CCC(CC)CC1	2002889960	XXPXPGXTLWEAKD-QQFBHYJXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@](C)(O)C1CCC(CC)CC1	2002928560	YSFOZNCZMPSYAU-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)[C@@H]1CCC[C@H](C)C1	2003015271	NNBXUVZQFDCOHU-TTZDDIAXSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)[C@@H]1CCC[C@@H](C)C1	2003023686	YPKYCBKIKFCPMG-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@H]1CCCC2(CC2)C1	2003217756	MEDOWMUCECYJAP-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@@H]1CCC2(CC2)C1	2003222864	ZOOOJQVUEVNTMZ-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H]1CCCC[C@@H]1CC	2004235526	ZQWWNVVOFWJNRI-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CC1(O)CCC(CC)(CC)CC1	2004340351	ZMSQYHVJPMPLBL-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@H](CCC(C)(C)C)C1	2006623283	IENOBDOHJGYKAY-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CC(C)(C)CC)[C@H]1C	2006981976	RMOJFVOSZWSTCQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC=C1CCCC1)c1cccs1	2007943306	CUOFUIITRANYNC-CQSZACIVSA-N	249.423	4.679	0	10	BJAE	
CCC[C@@]1(CC2(C)CCCCCC2)CCCN1	2009058615	HEWCQGYWHZDKHS-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CC=CCCCC1(O)CCC2(CCCC2)CC1	2009591411	JMRPNIHYBJRHDE-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)CCC2(C)CC2)C1(C)C	2009604694	JSWGLHIGEMQHBK-WBMJQRKESA-N	236.399	4.598	0	10	BJAE	
CCCCC1CC(N)(CCC(C)(C)C2CC2)C1	2009788674	DMEYZECKEDRILW-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](O)(CC)CC1CC(=C2CCC2)C1	2011064295	PNCVSNCPNPJSMN-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@](CC)(CNC(C)C)C(C)C	2012412371	OOEAURYVJCIIQE-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCC[C@H](C)CC1	2013264621	OJQYHGIBRBBGPJ-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CC(C)[C@@H](C)CC1(O)CC2(CCCCCC2)C1	2015285013	SECUFCMPQTWFKC-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(CC[C@@]1(N)CCC(C)(C)C1)C(C)C	2015346591	HNHFMUWSESQIDZ-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@]2(O)CC(C)(C)C[C@@H]2C)CCC1	2015639638	IXRVWMQQIHRIIM-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C[C@H]1CC[C@H](C)CC1	2017650873	MUNJQOCKJVZXBT-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(C)CCCCN)CC1	2017737074	MSSRPNRTTWFHLO-WKILWMFISA-N	237.431	4.668	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CCC[C@@H]2C)CC1	2017775274	ZRGXWBATEWIJGY-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)NCCC1CCCCC1	2018139144	OPMUACFUHIBBSB-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCC1(C[C@@]2(O)CCC[C@H](CC(C)C)C2)CC1	2018968306	SMLHWSJAYQJPGI-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)CCCC(C)C)CC1	2019298803	CLIWUSMQFFEAIT-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H](CCC)C(C)C	2020975118	XPMFFZIGPWRSTL-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC3(CC3)C2)cc1Cl	2021771458	OMHMHTHPUQKDQM-CYBMUJFWSA-N	249.785	4.647	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1ccccc1C(C)C	2022493309	QIXQHTPBSRUCLZ-ZIAGYGMSSA-N	231.383	4.658	0	10	BJAE	
Cc1cscc1N[C@@H]1CCC[C@H]2CCCC[C@H]21	2023000164	ZOEWCMQCXKDZTO-MGPQQGTHSA-N	249.423	4.827	0	10	BJAE	
CCC[C@@](C)(CC=C1CCC1)CNCC(C)C	2023260359	IEELGABWKDPRRN-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@@H](N)C2CCCC2)C1	2024101598	LYEHZCQAQLFTTO-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H]2CC(C)(C)CCC2=O)CCC1	2024124804	QYFONIHZDQYPBJ-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C1CCC(C)CC1	2026165389	AYRNXQDOKVFQRD-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
C1CCC([C@@H]2CCCN(C3CCCCC3)C2)CC1	2027027171	KTVQGPWTVGMSHV-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCc1ccccc1[C@@H](N)CC1(C)CCCCC1	2027310614	CGZPVXJZOAQWRS-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)c1coc(C)c1	2027820718	IXTOQMQMQVRJID-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC(C)c1cccc([C@H](N)CC[C@H]2CC2(C)C)c1	2027828029	XXFHEBNCAWYBOG-JKSUJKDBSA-N	245.410	4.636	0	10	BJAE	
CNC[C@]1(CCC2CCCCC2)CC=CC[C@H]1C	2027919191	DJBCENWEEZDJKT-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)C[C@H](C)c1ccccc1	2028233605	YFCKPUNYSVPHSY-UAGQMJEPSA-N	248.410	4.613	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)c1ccccc1C1CC1	2028554595	LNNQSBDCGAYNPH-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)CC1	2028785927	HRUQJHMQHGOZDF-SVXVCFNTSA-N	248.410	4.598	0	10	BJAE	
CNC[C@]1(CC2CCC=CCC2)CCCC[C@H]1C	2028869184	FLRUYTCBLDHLNR-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)CC1(C)CC1	2028874843	YZSTZXUFYFQGEJ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)C1CCCC1	2028898089	RNKYWSKKPXCYCV-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC(=O)c1ccccc1C1CCC1)C1CC1	2029076414	ZDOSVXXMAQPKBZ-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
CCc1ccc([C@@H](O)C(C)(C)C(C)C)cc1CC	2032274700	YUERDOCKXSPLHV-MRXNPFEDSA-N	248.410	4.527	0	10	BJAE	
C[C@@H]1C[C@H](C[C@H]2CC[C@H](F)C2)Nc2ccccc21	2032946507	BXKHCNBXXBUPDZ-ZOBORPQBSA-N	247.357	4.503	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H]1CCC(C)(C)C1	2033396963	YTBJLIKTAFWRTQ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccccc1C	2035418521	BCVKGLKAVGKFDX-INMHGKMJSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H]2CC23CCCC3)CC1	2036133812	HQCVCCOZOTWQQS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)[C@H](c1ccccc1)C(C)C	2037097165	HJXRBQWQWBCLLH-UAGQMJEPSA-N	247.426	4.580	0	10	BJAE	
CC(C)(C)NCC1(CC2CC3(CCC3)C2)CCC1	2038084554	AVYKEWXBLAYLTL-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1C[C@H]2C[C@H]2C1)C1CCCCC1	2038440503	SXXVSVZMHWMYBT-XOUADPBQSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(C[C@]2(CN)CC23CCCCC3)CC1	2039000772	VECSYNDYIIZCNP-VMBOVVBDSA-N	249.442	4.502	0	10	BJAE	
CCCNCC(=C[C@H]1CC12CCCCC2)C(C)C	2039078549	JCNAUWXWKMNTTK-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@H]1C(C)=CCC[C@H]1C	2039439917	BMEWHPVTJBQBRK-NRKLIOEPSA-N	249.442	4.523	0	10	BJAE	
C[C@H](N(C)C[C@H]1C=CCCC1)C1(C)CCCCC1	2039832803	FCTUBOVRXSEFFJ-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)C12CCC(CC1)C2	2039864884	KNWLWLFYVIAKTH-RPSHWRLHSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC1CCC1)C1=CCCCCCC1	2042738231	JRAOUUHGJBUETQ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1CC(C)=C[C@@H](C)C1	2045684947	PATKXGHQNICZFZ-KBRIMQKVSA-N	249.442	4.703	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@H]1CC(C)=C[C@@H](C)C1	2045762930	DSOOMCIFWZVDKD-KBRIMQKVSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)[C@@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2049220296	VZZDYZKILJUPPN-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(C[C@H]2CC=CCC2)CCCC(C)(C)C1	2049513226	ZIIJOTPLLAZHSI-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
C[C@H](NC[C@H]1C=CCCC1)[C@H]1CCCC(C)(C)C1	2049539536	HPZWFFLBOBNDLT-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(O)cc(-c2cccc(CC(C)C)c2)c1	2049636368	JMVYQHLQLKVOMO-UHFFFAOYSA-N	240.346	4.566	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@H]2CCC3(CC3)C2)C1	2049961373	DPKPSGVGFKQKLD-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@H]2CC2(C)C)cc1	2050428671	FYWPRMCRWGDIQC-JKSUJKDBSA-N	245.410	4.601	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC(C)(C)C2CC2)cc1	2050428924	GKEBXASKECQDGM-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
Cc1cccc([C@@H](N)CCCC[C@@H]2CC2(C)C)c1	2050460861	NOZCLDMJVFBSMH-CVEARBPZSA-N	245.410	4.601	0	10	BJAE	
C[C@@H](N[C@H](C1CCCCC1)C1CC1)C1(C)CCC1	2052354053	TVPWLSNKFFAJBI-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCCC12CC2)C1CCCCC1	2053315097	KORWGJJBGWFMJL-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](C1CCCCC1)[C@@H]1CCCCC12CCC2	2053413598	UXFPPQCDQNMPJH-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@@H]1CCCCC12CC2	2053414067	WUFWMNHUPNAZLR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NCC1(C)CCC2(CC1)CC2)C1CC1	2056537081	UIBOQJBQHSRUHT-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](N2CC[C@]23CCC(C)(C)C3)C1	2058199541	LGFRIBWSIBPKMS-YOEHRIQHSA-N	249.442	4.610	0	10	BJAE	
CCc1c(SC)cc(Cl)cc1C(F)F	2060056185	NAGPYSJPEIYPKX-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
C[C@@H]1CC=C([C@]2(O)CCCCC23CCCC3)CC1	2060918384	MTOBTPJCEOQXHK-RHSMWYFYSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@@](N)(C2=CC[C@@H](C(C)C)CC2)CCC1	2061117118	WLSZSPYADXYOKK-NVXWUHKLSA-N	247.426	4.587	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CC[C@]23CCC[C@H]2C3)C1	2061623209	QFAQDCPNZGBSDT-QZWWFDLISA-N	249.442	4.502	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1CC(=C2CC2)C1)NCC	2061726061	LYXCUIIUPDHKGG-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1CC(=C2CCC2)C1)[C@@H](C)CCC	2061733438	DTVMYSJYAPGOHF-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1C(=O)CCC[C@@H]1C[C@@H]1C	2062624985	MVAPXFGFUGZFMM-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CCCCC1CC(N)(C2CC3(C2)CC(C)(C)C3)C1	2063811906	JSPSHZPIDIWTHA-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@@H](C)c1ccccc1	2065987573	LNYOEJZKKJMWKU-NVXWUHKLSA-N	248.410	4.758	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cccc(C2CC2)n1	2066085009	RHTWGLVISRAZFN-AWEZNQCLSA-N	246.398	4.586	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068711728	WNTSXVOYFQNMTG-UZEIFTLVSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C[C@@H]1CC12CCC2	2069198332	UXFZGNOCARDMJZ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@](C)(N)C23CCC(CC2)C3)CCC1	2069340563	WOAJCDNZLLVCMO-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](CNc1ccc(C2(C)CC2)cc1)C(C)C	2070283701	YCHADNNDDUHRQX-AWEZNQCLSA-N	245.410	4.832	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)C[C@H]1C[C@@H]1C	2071502936	DIWGJGKRRHZNMZ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(C(C)(C)C)cn1	2073294923	SQYJHNYZARRLST-CQSZACIVSA-N	248.414	4.760	0	10	BJAE	
CCCN[C@H](C[C@]12CCCC[C@@H]1C2)C1(CC)CC1	2074025538	OZCBNYXPUDIPFV-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CN(C[C@@]12CCCC[C@H]1C2)C1CCCCCCC1	2074057150	XVEHYGNSCZHPCM-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
C[C@H](C=C1CCNC2(CCCCC2)C1)C(C)(C)C	2074140354	AGOQUIMPZOIQQA-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
CCCCN(CC1(CCC)CC1)c1ccccc1	2074591427	QDEIXHMFMBQMJD-UHFFFAOYSA-N	245.410	4.873	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CN[C@H]2C(C)(C)C)CC1	2076160161	ODUWJUWQIFISNK-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1[C@H](CC2=CCCC2)CCCC1(C)C	2076407230	ODYVJEYJQBTNSZ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC[C@@H]1C[C@@H]1C(C)(C)C	2079618665	GYBXWHYVYRUUOR-KBMXLJTQSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)C1CCC2(CC1)CC2	2079844870	WWIONNMHUXJTHP-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@@]1(CC=C2CCC2)CCCC1(C)C	2081676691	ZTPXXONXNIJDLH-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1cccc(C)c1C	2086053784	NKOKWPPCZCOVEP-SUMWQHHRSA-N	247.426	4.910	0	10	BJAE	
CC(=O)[C@@H](CCCCCCC1CC1)C(C)C	2210527684	VBTLEAZEJTYQDA-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@H](N[C@@H](CC)C2CC2)CC1	2213098568	PJZWEWCTZVOLMQ-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2213270388	DIIARWRJNFVXKQ-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@H](N)CCCCCCC2CC2)C1	2213573851	MIDWLMVKQPOXOG-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)N(C)CCCCCCC1CC1	2213582545	IYHLKGMTFYYZHJ-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
C(=Cc1ccccc1)CC1[C@H]2CCCCC[C@H]12	2213825250	RDLRJDGBRLQXOP-HOTGVXAUSA-N	226.363	4.916	0	10	BJAE	
CCCC(CCC)CNC[C@@H]1CC=C(C)CC1	2215815353	KSIMFTYMNJKSRF-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)CCCCCCCC1CC1	2216896596	PRECPOHTYBKCDT-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)CCCC(F)F	2217128821	LIXRQIKHWADWJG-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@](CC)(CN[C@H](C)CC)[C@@H]1C[C@@H]1C	2217150477	NJUYCJWBAAVDMW-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C1(CN[C@H](C)CC)CCCCC1	2217152418	DTUFDKMPESJRJI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC1(CCC[C@@H](N)C2C[C@H]3CCC[C@H](C2)C3)CC1	2218347010	UTQJRNRYKDUBBW-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218350050	JQRFAFQUCWAGAB-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@](N)(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218356019	IOVTTWQJSXMVJP-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@H]1C[C@H]2C[C@H]2C1	2218728278	VJBJPKNRTWBMTL-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)C(=O)C/C=C/c1ccccc1	2219088979	XCIPWHCOIACFAI-YHVDPYDOSA-N	244.378	4.875	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H]1C[C@H](C)c2ccccc2N1	2220901248	HPMZJDAGUGBFSM-LJISPDSOSA-N	243.394	4.801	0	10	BJAE	
CC1=CC[C@H](CN(C)CC2(C)CCCCC2)CC1	2221609184	HGBQBSHBSUFCAZ-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(CN)CC=C(C)CC2)CC1	2221653465	IYKYMUKWIKVODY-BRWVUGGUSA-N	249.442	4.668	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@@H]1C[C@@H]2C[C@@H]2C1	2223111619	VRDSRAUZUJHSIB-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C)C1(CNC2CCC2)CCC=CCC1	2223597299	NBBJSFSTCUYPBN-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](c1cccc2ccoc12)[C@@H](C)CC	2224181223	OUUHPTGWHNYTSQ-SWLSCSKDSA-N	245.366	4.520	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)C(C)(C)C	2244835388	DIHUGLMWJTWOHF-KGLIPLIRSA-N	227.436	4.602	0	10	BJAE	
CC1CC(C)(C[C@H](N)C2(C)CCCCCC2)C1	2246537982	ZDISQZYNNDLGBU-SLTAFYQDSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCCC[C@@H]1C[C@H]1C	2247117934	UIDVBXVQYPCXPD-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNC(C)(C)CC(C)(C)C	2247119959	BOZACFJNDRJRSX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(OCCCC[C@H]2C[C@H]2C)c1C	2247169069	BOVVOHQEZFPMKB-HIFRSBDPSA-N	232.367	4.509	0	10	BJAE	
CC[C@](N)(CCCC[C@@H]1C[C@H]1C)CCC(C)C	2247175171	IHGALJOGUXMJJK-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@@H]1CCC12CCC2	2247393206	CUORKQMQUOQVGN-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](C)CC(C)(C)C	2248103241	XCSRXZODSLSEIS-NSHDSACASA-N	237.362	4.625	0	10	BJAE	
CCCC(C)(C)C(=O)CCCCC[C@H]1C[C@@H]1C	2248818189	ZYNVLHIXXQNNFD-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
Cc1cccc(NCCCCC[C@H]2C[C@@H]2C)c1	2248866614	QNCKTXHUSDZTTR-GJZGRUSLSA-N	231.383	4.623	0	10	BJAE	
Cc1cc(N[C@H](C)C2CCCC2)cc(C)c1C	2249495196	CDAPHANIVOAQNG-CQSZACIVSA-N	231.383	4.602	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H](C)CC(C)C)NCC	2250352419	LXJJUVDZRWEBEG-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@H]1CCC=CCCC1	2250354035	ZTBOLIIZDXNKNQ-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)N(CC)CC1CC(CC(C)(C)C)C1	2251582084	IICMKBXDONXNBU-NFOMZHRRSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(CC2(C)CCC2)C1	2251659415	NEWVJHIEFCZCPL-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@@H]2CN[C@H]3CCCC[C@@H]3C2)CCCCC1	2253805232	FZXWHYBFHTVBFH-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC=C(CC)[C@H](C[C@H]1CCCCC12CC2)NCC	2253823784	SAHMJUDELJRUPP-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@H]1CC[C@@H](C)C1)CC2	2253864242	DVAGTUHWJJBDII-INWMFGNUSA-N	243.394	4.548	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2CCC23CCC3)C1	2255027768	USOBAFWKTHGRCP-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC1=CCCCC1	2255188546	XSGDAOPIWCMRDE-UHFFFAOYSA-N	244.378	4.998	0	10	BJAE	
CCCc1ccc([C@@H](NCC)C(C)=C(C)C)cc1	2256291656	GZMYKPNYYLWRTO-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
Cc1cc(NC2CC(C3CCC3)C2)cc(C)c1C	2258250454	YUIBMFWISMQZCG-UHFFFAOYSA-N	243.394	4.602	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cc2cc(F)ccc2o1	2259447773	OCLXTQWITKTNIA-JTQLQIEISA-N	248.297	4.581	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@@]12CCCC[C@@H]1CC2	2260508961	SIPBPSJXKVOLSE-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCCC1)[C@]12CCCC[C@H]1CC2	2260523398	CVYAAQONELCVEO-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
C1CCCCN(C[C@@]23CCC[C@@H]2CC3)CCCC1	2260565465	AXKJMFDNROPKNT-SJORKVTESA-N	249.442	4.613	0	10	BJAE	
N[C@@H](C[C@@]12CCC[C@@H]1CC2)C1CCCCCCC1	2260583577	PKWRGLSQOSCXIH-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(NC[C@]23CCCC[C@@H]2CC3)c1	2260623167	NFJYUEWBLGOERE-NVXWUHKLSA-N	243.394	4.631	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CCNC(C)(C)C2)C1	2261305978	YMGLFMAQGAUCDD-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@@H](N)[C@@H]1CC1(C)C)CCCC(C)C	2300877316	PNXUXKSOSKSFIF-LSDHHAIUSA-N	237.431	4.523	0	10	BJAE	
CC(=CC[C@@]1(N)CCC[C@@H]1C)CCCC(C)C	2300887341	HDNSRIUWNFMNNW-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C(C)(C)C1CCC1	2300901346	IMDMZUOUBZTTCY-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(=CCC[C@@H](N)CC(C)C)CCCC(C)C	2300927118	RVZYQXMTAGCKIW-MRXNPFEDSA-N	239.447	4.913	0	10	BJAE	
CC(=CC[C@]1(N)[C@@H](C)C[C@H]1C)CCCC(C)C	2301032756	ZPQRFZXDEJGDHN-MUJYYYPQSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC1CCCCCC1	2301142801	MUKURENIKWZGHJ-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)C[C@H](C)S[C@@H]3C	2301730528	RTGAEMIXPVJMRY-WDEREUQCSA-N	245.391	4.524	0	10	BJAE	
CC(C)c1ccccc1O[C@@H](C)[C@@H](C)C(C)C	2301840018	LGFMFYCFZTUJSV-KBPBESRZSA-N	234.383	4.869	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)CC(=O)CC1CCCCC1	2301843933	MYOBJPRAKSPSEP-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CNCC(C)C)[C@@H](C)[C@@H](C)C(C)C	2301959739	WERJCVLQOUMYHJ-HRCADAONSA-N	241.463	4.577	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CC[C@@H]1C(C)(C)C	2303375940	NMKZXTVNSPCDKG-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CO)CCC(C)=C(C)C1	2303470378	JFECBNRNLRQBMR-MRXNPFEDSA-N	236.399	4.622	0	10	BJAE	
CCCC[C@H](C)N(C)C[C@H]1CC[C@@H]1C(C)(C)C	2303512137	SHMSAWIKRHOXIS-ZNMIVQPWSA-N	239.447	4.569	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H]2CC(C)(C)CC2=O)CC1	2303522466	LIVNXWAIRZTXEJ-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@@H](C)CC(C)(C)C)CC1	2303586101	ZYLWXICJQNNTIZ-BLLLJJGKSA-N	237.431	4.667	0	10	BJAE	
c1sc(CC2CCCC2)nc1[C@@H]1CC12CCC2	2304508713	QUWIUVYMESXFBW-LBPRGKRZSA-N	247.407	4.533	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@](N)(CCCC1CCC1)C2	2308400820	PVOJVRKNAHCBNF-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC[C@H]1C)[C@]1(C)CC=CCC1	2308750150	YZRJXPWVCXWWAF-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H]1CCC[C@@H]2CC[C@H]12	2309517938	MXUAZHUZFHEPDR-PVAVHDDUSA-N	241.378	4.555	0	10	BJAE	
CCCC1CC(N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2310194131	YCJQOVOMLASANH-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)C[C@@H]1C[C@H]1C1CCCC1	2311607471	OUVNTXDKAWDPLH-HJWJTTGWSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CN(C)[C@@H](C)CC2CCC2)CC1	2313597682	QKYYNBUENIFFRM-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316871419	APZZTCAQAZWXKS-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1=O	2317006864	JAEXKUIEKVWFAE-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@H](C)[C@H](C)C(C)C)cc1	2317825167	WBOTZYVGODDDJI-CPUCHLNUSA-N	247.426	4.738	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)C1=CCCC1	2317902228	UZJNJDATFUFGHD-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
C[C@H]1CCC[C@H](NCCCC2=CCCCC2)CC1	2318530985	GTZJROJQSIIWAX-RDJZCZTQSA-N	249.442	4.825	0	10	BJAE	
C[C@]1(CCC2C[C@H]3CCC[C@H](C2)C3)CCCCN1	2318830649	WSAVPNCIVXVURP-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC[C@@H]1CC[C@@H]1C1CC1)CC1CCCC1	2319740307	KQXDRPLVLKAJNP-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@@H]2CC[C@H]2C(C)(C)C)CC1	2320265725	MHYUMYWZBMBHDF-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CNCCC(C)(C)C2CC2)CC1	2320372649	IMDTYXMNFCNQCK-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1C[C@H]1CC	2320425561	XXXCPCRMPPRBEN-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](O)c1cccc(C(C)C)c1	2320577822	JPDOVVHPZCMTKD-UNEWFSDZSA-N	246.394	4.670	0	10	BJAE	
CN1c2ccc(-c3ccccc3)cc2C=CC1(C)C	2170639	NTTPHPLNXPZLMC-UHFFFAOYSA-N	249.357	4.595	0	10	BJAE	
CC[C@H](C)CCCCCCCCCCCN	14593464	PKFQANQONAAVFD-HNNXBMFYSA-N	227.436	4.892	0	10	BJAE	biogenic
CCCC[C@H](CC)[C@H](N)c1ccc(C)cc1C	20482624	XCUILSIESFCGEL-HOCLYGCPSA-N	233.399	4.520	0	10	BJAE	
CN[C@H](C)c1sc2ccc(C(C)C)cc2c1C	40996350	LMTBPKIFKUCVGT-LLVKDONJSA-N	247.407	4.614	0	10	BJAE	
CCCCCCC(=O)C1(c2ccccc2)CCC1	62780608	GOXWQWYWNOLLKW-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCN[C@@H](c1c(C)cc(C)cc1C)[C@H](C)C(C)C	70123325	VQSQGIZIDWSAFU-NVXWUHKLSA-N	247.426	4.555	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H](C)C1CCCC1	71085539	SOJMYMJDRXJJSF-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1C(=O)CC(C)C	82604585	MXHGNQIFABHZBR-UHFFFAOYSA-N	232.367	4.521	0	10	BJAE	
CCCc1ccccc1N[C@H]1C[C@H](C)CC[C@@H]1C	85097357	LNAWMSLLIDSRKV-KEYYUXOJSA-N	245.410	4.876	0	10	BJAE	
CC(C)[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1	87818742	QSZIHRCWKQMECX-SNVBAGLBSA-N	247.769	4.582	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)C[C@H](C(C)C)CC3	87818891	SJAJROYBKAIBTO-CYBMUJFWSA-N	241.378	4.546	0	10	BJAE	
CCCNC[C@@H](C[C@H](C)CC)c1ccc(C)cc1	93139167	QQEWBHMRAODMTC-RHSMWYFYSA-N	247.426	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2CCCCC2(C)C)CC1	94323509	GOVOIXLFBKAVDH-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1ccc(F)cc1	109708200	FOGHYLBJAHVWHH-GFCCVEGCSA-N	236.330	4.615	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(F)c(F)c1	110158299	NKCHRFNXFDDGCH-LLVKDONJSA-N	241.325	4.593	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)C(C)(C)CC)cc1	110201649	VKISTXJUMARMIE-BBRMVZONSA-N	247.426	4.897	0	10	BJAE	
Clc1cc2c(Cl)ccc(Cl)c2s1	142924779	XLIPXMUHCKQGLA-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
CCC(CC)CC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1O	149478071	ZLRQYXOBHDEGMV-CFVMTHIKSA-N	240.431	4.636	0	10	BJAE	
C1CCCC([C@@H]2CCCC[C@@H]2CNC2CC2)CC1	150089137	DBDDIIXOCPQNCG-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](NCC)c1cc2ccccc2s1	158302643	MKUUNEAPCYNAMN-ZDUSSCGKSA-N	247.407	4.742	0	10	BJAE	
C[C@@H](C[C@@H](N)CC1CCCCC1)CC(C)(C)C	160979233	IUXOGIDBBUKUBR-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C1CCC(C)CC1	161352035	SWIHEQSTKQTEBF-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCCNCC1(C2=CCCCC2)CC(CCC)C1	161450504	DXYOQYNHBYLJJX-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](C)c1ccsc1	225988055	UZAFTGWHODYPHT-GXTWGEPZSA-N	239.428	4.758	0	10	BJAE	
CCC(CC)CC(=O)c1ccccc1C(C)(C)C	229448834	IDOIUDDXEJIDEU-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CC[C@H](C)c1ccc2oc(CN)c(C(C)C)c2c1	232354929	DRPLAGSYXOKGGJ-NSHDSACASA-N	245.366	4.528	0	10	BJAE	
CCC[C@]1(C[C@H]2C[C@H]3CC[C@H]2C3)CCCCCN1	251200747	VFXBTEPSARISHO-MWDXBVQZSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCCC[C@H]1C	251419067	YIZHXKVRUVZTPZ-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](C[C@H](C)CC(C)(C)C)NC	253029576	FPNWVWQMOPPTQJ-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
CNc1ccc(-c2cccc(C(C)(F)F)c2)cc1	259460986	LEHXUBJNXDVYOR-UHFFFAOYSA-N	247.288	4.507	0	10	BJAE	
CCCc1cccc([C@@H](CCC(C)(C)C)NC)c1	302269827	GYYZRYWTDVVBTQ-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc(F)c(N[C@H](CCC(C)C)C2CC2)c1	302535068	RZDZZERBOYLUDN-OAHLLOKOSA-N	249.373	4.761	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1c(C)cc(C)cc1C	308024151	MDLYRJSUEBPVBN-WBVHZDCISA-N	248.410	4.718	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CCCC(C)C)NC	308041041	BGVDPNFQIYDZCU-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NC)c1cccc(C)c1	308042144	CAGYZASTAIZZGZ-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](C[C@H](C)CC(C)C)NC	308059804	GFOADXSZHRTBNH-OAGGEKHMSA-N	241.463	4.719	0	10	BJAE	
Cc1ccc(S[C@@H]2C=CCCCCC2)c(N)c1	310061525	SIRJSZBZCAUZII-CYBMUJFWSA-N	247.407	4.558	0	10	BJAE	
CCCNC[C@@](C)(CC1(C)CCCC1)C(C)C	310267740	MQFDKFLMTCICCE-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC(C[C@H](N)C2(C)CCCC2)CC1	310300319	BJWWTURAGKUVRF-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CCC[C@H](O)C(C)(C)C)C1CCCCC1	310355081	RQSWDHQZZMCEKA-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC(=O)CC1(C)CCCC1)CC(C)(C)C	310567616	YFBWHNDGQKYPLQ-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
C[C@H]([C@@H](O)c1ccc2ccccc2c1)C(C)(C)C	310697398	BIXBQJAZVDUPJH-MLGOLLRUSA-N	242.362	4.555	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1csc(C)c1	381236968	UNBRUSQKHWXWLT-GXTWGEPZSA-N	239.428	4.663	0	10	BJAE	
CCc1cccc(OCCC2=CCCCC2)c1	385141920	IPMQKWYQOYDMEV-UHFFFAOYSA-N	230.351	4.518	0	10	BJAE	
CC[C@@H](Nc1ccc(Cl)cc1)C1CCCC1	387628732	DUQFEIWFPGYEMQ-CQSZACIVSA-N	237.774	4.721	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@@H]1CCCC[C@@H]1C	394983278	HBDAZWWTVXTXBL-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(C[C@H](C)C1CCCCC1)C(C)(C)C	395453411	ZMQWMFVLMQWZCM-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCc1cc(C(F)F)c2c(CC)csc2c1	396165779	GAUVBIVOXBFQON-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
Cc1ccc(C(F)(F)F)c2cc(S)sc12	396305472	OWWQBCWEAIBJHT-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)[C@@H](C)C(C)(C)C	399152409	GLDLEROEEYTHPB-CZUORRHYSA-N	247.426	4.753	0	10	BJAE	
CCN[C@H](CC1=CCCC1)C1CCCCCCC1	400485252	YNTRKBUZBIWNIV-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC(C)(CC[C@@H](N)C1(C)CCCCC1)C1CC1	405786479	DJHLFJPYCWGCSP-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)C)CCC(C)(C)C1CC1	405828545	RVVCSTJEVZUTDU-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(C)CC(C)(CNC(C)(C)C)C1	688054234	SSPGJNULXWWPBB-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)[C@H](C)CC	688921743	QVOVZVKIYOXAHN-CZUORRHYSA-N	233.399	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCCC2CCC2)CC1	688991076	AABMHZDRPFHPIR-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
O=C(CC1CCCCC1)C[C@H]1CC2CCC1CC2	691756328	JMFKOKUHRDAYEP-UYSNPLJNSA-N	248.410	4.742	0	10	BJAE	
C1CCCC(CN[C@H]2CCC23CCCC3)CCC1	693794509	KPOSYDCHOWYCJN-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H](C)c1ccccc1C	695063308	UMGZZRMLXUFELU-RDJZCZTQSA-N	247.426	4.513	0	10	BJAE	
CC(C)CC(=O)[C@H](C)c1ccc(C(C)C)cc1	695063540	OIVUBQINWSPFOP-CYBMUJFWSA-N	232.367	4.529	0	10	BJAE	
CCC(C)(C)CC[C@H](CCC(C)(C)C)NC	696645978	MPPXVPJPICIZCE-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](CNC)C1CCCCC1	696840929	XCDASBGYIIHCSN-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1CCCC(C)(C)CC1	697578447	FDMXVBSMEMNVRD-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)C(C)(CC)CC	701152000	RUASLZRBENGYSX-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)C1CC(C)(C)C1	701431523	KXJAGVJELGGJGI-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@]1(C)CC1(C)C	702222012	DRJQPZSZWAFPMZ-WBVHZDCISA-N	245.410	4.507	0	10	BJAE	
CC1(C)CCC(C)(C)C1N[C@@H]1CCCC2(CC2)C1	703890222	BOLHAXOOILCOGX-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@@H](C)CC(C)(C)C)cc1C	704674316	WGKHSALCQVNIAF-GOEBONIOSA-N	248.410	4.718	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCCC[C@H]1C)C(C)C	704877586	INWSRSZTBUBMEY-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc2c1ccn2[C@H]1CCCC[C@H]1C	704952804	JBZWETLTMAJNMH-HIFRSBDPSA-N	227.351	4.701	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C(C)C)C1CC1	705366954	OLRFCEDTFYBFMH-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)[C@@]23CCCC[C@@H]2C3)c1	709122871	DXTNSVYAUBUKIG-IOASZLSFSA-N	247.357	4.515	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)CC(C)(C)CC	710249727	YKALDXDWUXQVJO-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C[C@H](C[C@H](O)c1cscc1Cl)C(C)(C)C	710428792	WLSBRPZHPHKTKI-KCJUWKMLSA-N	246.803	4.507	0	10	BJAE	
CCC1([C@@H](C[C@H](C)C(C)(C)C)NC)CCCC1	711148763	HIKJNUWZZQXESZ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC[C@@H](C)CNC(C)(C)C	711273022	DQOQTKKFWRULJJ-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CCCCC(=O)c1ccccc1	711312552	NYRQKMCGNQFHPO-UHFFFAOYSA-N	232.367	4.866	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(O)CCC(C)(C)C	713131306	PWMKTSMGDPFHKP-OAHLLOKOSA-N	228.420	4.636	0	10	BJAE	
CC(C)C(C)(C)COc1ccc(Cl)c(F)c1	713242191	XAXNGIIFRZZVEX-UHFFFAOYSA-N	244.737	4.540	0	10	BJAE	
CC(C)C(C)(C)CC(=O)CCC1CCCC1	713356430	ZUMUVKORWDLQSC-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C=C/C=C\CC[C@@H](O)c1ccc(C(C)(C)C)cc1	713762097	ZGTICHOBOBENBH-MWWKQMNYSA-N	244.378	4.540	0	10	BJAE	
C/C=C/C[C@@H](CC)c1c(F)cccc1Cl	714543645	LVFCBMWDGYMIJI-RXNUUUNCSA-N	226.722	4.939	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@H]1C1CC1)CC1CCCCCC1	714769734	FNJLQGGOJNJEDZ-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC)CCC1CC2(CCC2)C1	717562346	MEWGXXJJPFBUKA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCCC2CC=CC2)CC1	724178501	FBOOCEZBCGTXBE-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCCCSc1cccc(SC)c1	1082759670	DCVRZIIZCSUKGV-UHFFFAOYSA-N	226.410	4.691	0	10	BJAE	
c1ccc2c(-c3ccc(C4CC4)cc3)ccnc2c1	1239852029	YMGFFYYNOIREPG-UHFFFAOYSA-N	245.325	4.779	0	10	BJAE	
CCC[C@H](CC)SCc1ccc(F)cc1C	1459058221	BKZZFXHVXFKMHY-AWEZNQCLSA-N	240.387	4.946	0	10	BJAE	
CCCc1ccc(CNCCCC(C)(C)C)cc1	1647025349	QPYIFZOQKRWDNJ-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1(CC)CCCC1	1900703314	MZYRMVVNAOATQH-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@H](CC(C)(C)CC)NC	1900706021	XSUCRJVFEZGOHX-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CCCCC1(C)C	1900901144	RNMJGVURSZLRNP-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CCC1CCCCCC1)NC	1901136926	VZNUQRDCTBWGQH-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCc1cscc1N[C@H](CC)C1CCCC1	1902391882	YKPBRYGBNGWFAY-CYBMUJFWSA-N	237.412	4.691	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1csc(C)c1C	1905399780	ZFYRMTAZQXVFAA-JSGCOSHPSA-N	240.412	4.615	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)C[C@@H](CC)CCC	1905435929	VUUVKPPCBHOFMB-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)C[C@@H]1C[C@H]1C	1909231278	LGQUAXDYRDHRTL-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C=C(CN)C2CCCCC2)C1	1911844313	CRPVFNYFIMXBLO-CABCVRRESA-N	249.442	4.668	0	10	BJAE	
CC=CCCN[C@H]1CCCC[C@H]1C1CCCCC1	1912050166	NCBBJNYRWHELEJ-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(C)cc1C	1912095960	RTDXYPNGVFQKBU-CQSZACIVSA-N	202.341	4.763	0	10	BJAE	
CC(C)NC[C@]1([C@H]2CCCC[C@@H]2C)C=CCCC1	1916568096	HDGXCOYOMURCCL-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H]1CCC[C@H](C)C1	1919959034	KOLJPEKJKLMETG-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCCC[C@H]1CC	1926211102	AUUNERHIKMSFSL-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
Cc1sc(Cl)cc1C(=O)C(C)(C)C(C)C	1933553716	NFBDJEFZIXJTAF-UHFFFAOYSA-N	244.787	4.575	0	10	BJAE	
Cc1cc2sc(C(=O)CC(C)C)cc2s1	1934995845	MTMRIABFOAOKDJ-UHFFFAOYSA-N	238.377	4.500	0	10	BJAE	
CCCc1ccccc1C(=O)CCCC(C)C	1940936858	ZZCPWNUWDFMSLM-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CCCC1CCC1	1941689640	IXNOUIQETWKCGP-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](CNC(C)(C)C)C1CCC1	1942092617	GFHKJAVSNQTTRB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)CC1CCC(C)(C)CC1	1944618067	JIEBBDHQOHNPMK-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)C[C@@H](NC)C(C)(C)C1CCCC1	1944641502	RAVAUZYRIWDOON-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H]1Cn1ccc2cccc(Cl)c21	1944799717	RCYDRIIATDTWAX-AAEUAGOBSA-N	247.769	4.731	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@H]1C)C(CC)CC	1944832265	NAKKPZJTUMIKGG-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
C[C@@H](NC1CCCCCCCCC1)C(C)(F)F	1947879190	OLKCHRROICXJMH-GFCCVEGCSA-N	247.373	4.513	0	10	BJAE	
CCCC[C@@](N)(CC)[C@@H]1CCC2(CCCC2)C1	1949429976	VYVQBBFTVKKAIE-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@@H]1CCC2(CCCC2)C1	1949551603	LJJAFTZLJMAMIZ-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCCC(F)(F)CC1	1950012811	UNGHKMOALABZAJ-GFCCVEGCSA-N	246.341	4.742	0	10	BJAE	
CCC[C@@]1(CNC(C)C)CCCC(C)(C)CC1	1950916957	CIXDUEHABAOPLX-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC)CCC[C@@H](C)CC1	1950929863	KOUFWBAJWQPSMF-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC=C[C@H](C)Cc1ccc(OC)c(C(C)(C)C)c1	1951308682	LONLBLNSYIKWGU-ZDUSSCGKSA-N	246.394	4.747	0	10	BJAE	
C[C@H](CCC1CCC(CN)CC1)CC(C)(C)C	1951553007	OQHWSDFASDGJLS-WLYUNCDWSA-N	239.447	4.604	0	10	BJAE	
CC(C)=CCCc1c(C)cc(C)cc1C	1961399935	SSAZQAUXPDTAJT-UHFFFAOYSA-N	202.341	4.511	0	10	BJAE	
CCC(C)(C)C1CCC(NC2CC3(CC3)C2)CC1	1963150960	WNRNFMHKSUAHOO-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCCCN(C[C@H]1C=CCCC1)C1CCCCC1	1966261457	HCJYPCZSYFFYAW-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
C[C@H](C1CCCCC1)N(C)CC1CCC=CCC1	1966381669	WNIXOTPWFZSMDK-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCCCC23CCC3)C[C@H]1C	1967700193	VLOLOAOBMWJNNL-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2cccc(C3(C)CC3)c2)C1	1967832346	MJJJEGPFFXVMJE-ZFWWWQNUSA-N	243.394	4.729	0	10	BJAE	
CCC1(C)CC(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	1967858991	YVXMBKWYZDHZPZ-KWJBXHGQSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CC[C@@H]2CC(C)C)c1	1968307637	NDWZMVXFNFNBPF-ZBFHGGJFSA-N	231.383	4.540	0	10	BJAE	
CC1(C)CCC[C@H](NCCC2CC3(CCC3)C2)C1	1973745875	ZCEZPNYNZOKPGI-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@@](C)(O)C1(C)CCCCC1	1975570345	GRXRNEXSLCHHNT-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)c1csc([C@@H]2CCCC(C)(C)C2)n1	1980273207	BNUDBTGARUSSHZ-LLVKDONJSA-N	237.412	4.950	0	10	BJAE	
CC(C)CCC[C@H]1CCCCCCCC1=O	1980318523	CAIXSLXRUOTPDC-CQSZACIVSA-N	224.388	4.742	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCC[C@H](CC)C1	1984590628	FACUNNZTPUAVNY-SVDKCWMDSA-N	222.372	4.518	0	10	BJAE	
C/C=C/CCCC(C)(C)C[C@@H](C)NCCC	1984633236	UVPIDYIUDYHDRI-IZPAUZPXSA-N	225.420	4.537	0	10	BJAE	
CC=CCCC[C@@H](N)[C@@H](CCC)CC(C)C	1984637194	ABWGTAHHOWZODH-LSDHHAIUSA-N	225.420	4.523	0	10	BJAE	
CC(C)=C(C)COc1cccc2sccc12	1989654951	ICEOMEWIIIFESN-UHFFFAOYSA-N	232.348	4.636	0	10	BJAE	
CCCCCC(=O)C[C@H]1CC[C@H](CC)CC1	1989838148	BAFWHSWEHLSILG-HDJSIYSDSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@](O)(CC)CCC(C)=C(C)C	1990092702	CNRAISHLKLMCOQ-OAHLLOKOSA-N	226.404	4.844	0	10	BJAE	
CCCCc1ccc(C[C@H]2C=CCC2)cc1	1992373728	AEMVALYCCVEJOY-HNNXBMFYSA-N	214.352	4.538	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC=C(C)C)NC	1993588000	PRMCMFJQEMHZDI-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CC[C@](N)(CCC(C)C)C1CCC(C)(C)CC1	1996595593	XFNAZIWAKMCOET-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)[C@H](CC1(C)CCCC1)NCC	1996615127	GWIHNQVGTSISHU-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H]2CCC(C)(C)C2)C1	2000101815	LEJIEEFWYSMBIB-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)CC2CCCC2)C1	2000114112	VZZIBUNMSOSPEC-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCNCCC=C(C)[C@@H]1CCCC(C)(C)C1	2000142508	FZBWQJRLZBYRNC-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@H](NCC)C1(C)CCCCCC1	2000374222	VHSUIECGBAGOMI-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@](CC)(CN)CC1CCC=CCC1	2000482337	BOTOEGVJVFBDPO-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CCCC[C@](CC)(CN)[C@H]1CCCC[C@@H]1CC	2000501717	HGIFLCZKJHCUGM-HRCADAONSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@@](C)(CNCC)[C@@H]1CCC(C)(C)C1	2000506474	BBUJKDMIMVXLOZ-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC[C@H]1CC1(C)C	2000513627	JNMAPEJONBELPM-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@]1(CNC(C)C)CCC12CCC2	2001852405	UNXLWCLJTDEYFQ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC=C[C@H](C)N[C@H](C)C1CCC(CCC)CC1	2002923475	GKFPFKQZLGLQHY-QRNKSROTSA-N	237.431	4.536	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CCCC(C)(C)C)C1	2003012855	CNYZPTJNWKFQRJ-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CC[C@H](C)CC1	2003068683	MLXAHNIGBRMENP-SHTZXODSSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](O)CC(C)C)CC1	2003101587	XQOFBXQDIQMSEI-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H]1CC[C@H](C)CC1	2003108842	PMUXXWIYRNGLBL-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)C[C@H]1CCCCCCC[C@H]1NC	2003118287	QZXIGLBQEJBYKC-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@H]1CCCCC12CC2	2005562827	FQZJSVWFFOAPSQ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CCCCC12CC2	2005609878	MHESMIIHMRXXSU-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)CCC(C)C	2007935290	RZFRVUZZGQKABE-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCC[C@H](C(C)C)CC1	2009572825	PAZCLWQVUMNWGC-SWJNODNISA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@]1(O)CCCC[C@H]1C(C)(C)C	2009592877	LZAFXJYBEKGZAM-NCVJHSOJSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@@H]1CCCC[C@@H](NCCC)C1	2009615717	BHEQCRGCIKKQKH-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCC(N)(CCC)C1=CC[C@@H](C(C)C)CC1	2010741169	YFFAAMAFUJOFRE-CQSZACIVSA-N	237.431	4.667	0	10	BJAE	
CC[C@](O)(CCC[C@H]1C[C@H]1C)C1CCCCC1	2011563174	UKOAJKNZYQZBOM-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H]1CC(=O)CC(C)(C)C1	2012084729	QUPPPERFLPFVIE-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CCc1nc2c(s1)CC1(CCCCCC1)CC2	2013206761	CTTBQUJTDPCYCO-UHFFFAOYSA-N	249.423	4.535	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)CC)CCC1(C)C	2014849263	LVIQGZKVHUDRLT-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(=CCCNC(C)C)CC(C(C)C)C(C)C	2015411513	GHRCFTDSTNVKQV-UHFFFAOYSA-N	239.447	4.639	0	10	BJAE	
CCCC1(C[C@@](O)(CC)C2CCCC2)CCC1	2015631771	AHUVFNURICIDJK-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@]2(O)CCC[C@@H](C)CC2)CCC1	2015640052	NSSDLLGCOMRIHR-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
c1cc(N[C@H]2CC[C@H]3C[C@@H]2C3)c2sccc2c1	2015654248	QJPVAHQPXZWWSM-UHTWSYAYSA-N	243.375	4.502	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1(CC2CC2)CCC1	2015743631	NNDZOAVYZKKQHK-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCC[C@@H]2CC)CC1	2017729723	ZQNSFINRBUSWFP-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)C(C)(C)C(F)F	2017793332	IJHBXZGROGNZEI-BXUZGUMPSA-N	249.389	4.602	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CCCCC2(C)C)CC1	2018969443	FTAZCYSRRUSHQY-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@H]1CC[C@H](CC)CC1	2019482511	YENKHKYTFHETKH-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
Clc1ccc2ccn([C@@H]3C=CCCCC3)c2c1	2019533092	QCDIGPANSUXOJJ-CQSZACIVSA-N	245.753	4.966	0	10	BJAE	
CC=C(CC)[C@@H](NC)c1cccc2ccsc12	2020976643	NJLKEKPEXRBCOM-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
CCC[C@](C)(N)C[C@H]1C[C@H]1C1CCCCCC1	2022495511	JPILGRPXQXKYQD-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@H]1CCCC(C)C	2023615366	ZNUUGYMSCAREPU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H]1CC(C)(C)CC[C@@H]1NCCC	2024123856	NFBWWCUCAQRTBE-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCCC1(C)CC1	2026170771	SGOADNRBKHZZFZ-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CCCC1(C)CC1)CNC1CC1	2027822471	QZPLRWWHBFUYFV-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](O)(c1cccc(C2CC2)c1)C(C)(C)C	2028551222	CZBJLXKEKLZQRA-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCCCCC[C@@H](N)c1cccc(C2(C)CC2)c1	2028557721	PVYFYDGOWKZVNE-MRXNPFEDSA-N	245.410	4.708	0	10	BJAE	
C(CCN[C@@H]1CC[C@@H]2CCCC[C@H]21)CCC1CC1	2028646279	NHFAPDTYKNWJEB-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC=C[C@H](C)N[C@@H](CCCCC)c1ccccc1	2034980178	URBFEUXGLGWALW-RDJZCZTQSA-N	245.410	4.862	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@H]1C[C@H]1C=CCCC1	2035586075	AJMUVQZDADFKJN-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CN[C@@H]2C[C@H]3CCCC[C@@]3(C)C2)CC1	2036669002	WHICOBBMFQRQAS-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@](N)([C@@H]2CCC3(CCCC3)C2)CC1	2037591128	ZRXDFSSBXVXEEE-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
O=C(CC1CCCCC1)[C@H]1CCC2(CCCC2)C1	2037677979	HTHCMNKAFYKTTB-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC(C)CC[C@@](N)(CC1CC2(CCC2)C1)C1CC1	2038078647	MWPHXFVTLFNGHN-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@]1(N)C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2038626815	RTOCCBYHONXDNG-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C=C1CCCC[C@]12CCNC2)CC	2038646184	SBIWANHFNXTWQN-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCC=CCCC1)C1CCCC1	2045308325	SZEWIVSQZMSVDB-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CC[C@H](NC[C@@H]2CCC=CCCC2)[C@H]1C	2045333134	WJYCILSSEJCOQC-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@H]1C(C)=CCC[C@H]1C	2045810547	OJIOZTLQUZMKGE-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2CC23CCCC3)cc1	2047055803	NPMLMMPOXCNICD-OAHLLOKOSA-N	244.378	4.769	0	10	BJAE	
CCC1(CN[C@H]2CCCCC23CCCCC3)CC1	2047588167	XPYMMMSSDXVWOY-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(C)NC[C@@]1(CCCC2CC2)CCC12CCC2	2047934417	AZLIGNQDHWDZTJ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1CCC12CCC2	2047941386	BYXSVOBKNOTLLY-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048471471	JKNXYFJMSBWFRQ-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CC1([C@](C)(N)[C@@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2049210478	BQVOMXCCMWJDBW-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCCN[C@H](C)C1CCC(C(C)C)CC1	2049412259	OBMCJJNNVMZJNW-KLAILNCOSA-N	249.442	4.559	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCC3(CCC3)C2)CC1	2051600897	ZECTUJRGDYMSES-HWOWSKLDSA-N	249.442	4.658	0	10	BJAE	
CC1([C@@H](N)C2CC3(CCC3)C2)CCCCCCC1	2052481136	WUWWOXGWDIFMLK-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C=CCCC2)CCCCCCC1	2052481399	YGBYEESVCLOOSI-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1C[C@H](N[C@H]2C=CCCC2(C)C)CC(C)(C)C1	2055530209	YEEKJABDTCAVAR-KKUMJFAQSA-N	249.442	4.536	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CCCC[C@H]2C(C)C)CCC1	2055550254	AXPQVPHLMRKYDN-BBWFWOEESA-N	249.442	4.680	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CC2CC(C3CCC3)C2)C1	2056665519	DPVQLDBVFZYMKJ-QTISTPMNSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CC[C@H]1CC1(C)C	2056874330	WCXPHVJMMUGXQJ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
N[C@H](C=C1CCCCC1)[C@]12CCCC[C@@H]1CCC2	2056877696	BYAZEOYIGYEYQR-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@]12CCCC[C@H]1CCC2	2059254646	AOJRXSZEDNGYSU-BKQWVRJSSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(N[C@@H]2C[C@H]3CC[C@H](C3)C2)C1	2059487704	BQIJPFFKBDXKAJ-IKIPUTRUSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C1=CC[C@@H](C)CC1	2060915102	XHGKAHQANLDTCE-DYVFJYSZSA-N	243.394	4.556	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(O)CCCCC23CCC3)CC1	2061084852	MZTZTOJSHXGIBS-RHSMWYFYSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1NCC[C@@]12CCCCC21CCCCC1	2061513074	PAVTWCPQSFMQNQ-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@@H]1CCCCC1(C)C	2061561665	ULYDVLWETKNSCU-JKSUJKDBSA-N	249.442	4.692	0	10	BJAE	
CC1([C@H](N)CC[C@]23CCC[C@@H]2C3)CCCCCC1	2061574376	GUMSUCHGBCWMMO-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCc1ccc(F)c(CC2CC(=C3CC3)C2)c1F	2061720931	PLQQNHVEKICMEJ-UHFFFAOYSA-N	248.316	4.570	0	10	BJAE	
CC(C)[C@@H](N[C@H]1CCCCCC12CC2)C1CCC1	2062017630	ALWJSWTWEOZYDB-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(CC(=O)C2C[C@H]3CCC[C@@H]3C2)CC1	2063500731	JYQVBFJTRAAQLQ-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(N[C@@H](C)[C@@H]2CCC2(C)C)ccc1F	2068284857	ANKOUMWQVREWBD-FZMZJTMJSA-N	249.373	4.625	0	10	BJAE	
CCc1cc(N[C@H](C)[C@H]2CCC2(C)C)ccc1C	2068290757	ZFPJHMWGINBNKG-CZUORRHYSA-N	245.410	4.794	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C[C@@H]1CC12CCC2	2069176368	FKZXXFUGLSDRGF-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C[C@@H]1CC12CCC2	2069207726	LHBWQSXQRBJUCG-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CC[C@H]2C[C@@H]1C2	2069264620	CXXKJQIWWYGTBC-TWMKSMIVSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC1(CC)CCC1)c1ccco1	2069283991	VTXGFVLTDYWTFO-AWEZNQCLSA-N	249.398	4.681	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C[C@]1(C)C[C@H]1C	2070954742	KECMDBKPUBOEGV-DYVFJYSZSA-N	244.378	4.504	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@@]2(C)CCC(C)(C)C2)C1	2073047743	ZMGLDAJYWXKILK-QRTARXTBSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCCN([C@H]2CCC23CCCCC3)C1	2075018457	ZJPLBIQWZWPHAV-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCCCCC[C@H](C)Oc1cccc(C)c1C=O	2075976504	IQVCNXUOOUQYPB-AWEZNQCLSA-N	248.366	4.545	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2079438787	JWVXLYXHZMOISF-UGUYLWEFSA-N	249.442	4.523	0	10	BJAE	
CCCC1(CC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1	2079487137	QFWZHMUZSYFXEH-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CC1(CN[C@@H]2C[C@@H]2C2CCCCC2)CCCCC1	2079526686	DXPZKQCDTUNNFB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@H]1C[C@@H]1C1CCCC1	2079833686	WSCUPIQDYWOLLK-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
O[C@]1(C=C2CCCCC2)CCC[C@@H]2CCCC[C@@H]21	2081135545	CSNXSFUTBBCNII-ULQDDVLXSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCCN(C)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2081147857	KJIRNLQRWVHSGC-LSXCDAKCSA-N	249.442	4.633	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)c1cc(C)cc(C)c1C	2082949932	CXAFKDKMFZXCHD-LSDHHAIUSA-N	244.378	4.621	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H](C)c2cc(C)cc(C)c2)C1	2085252313	NEPHHPVCMLHYHC-BFYDXBDKSA-N	245.410	4.533	0	10	BJAE	
CCCCC[C@H](CC)Oc1cc(C=O)ccc1C	2086296887	ACRYOIIOQRUIFL-HNNXBMFYSA-N	248.366	4.545	0	10	BJAE	
CC1CC(C[C@@H](N)CCCCCCC2CC2)C1	2213576162	NHWHFHUQUQJBDC-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@](C)(O)C1(C)CCCCC1	2215238533	WVMQSDTVCXHAHH-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCC(C)(C)C)CC1(C)CC(C)(C)C1	2215397703	FVGNDVNCYBNGHJ-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@@]1(C)CC=C(C)CC1	2215816515	JIGVAYLFBTUUMB-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)CCN[C@H]1CCC[C@H](C(C)(C)C)C1	2216252308	JJDYBMGDIVBIIU-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCC[C@@H](C(C)(C)C)C1	2216253676	TVZFKAZBWMQWBW-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CC=C[C@@H](NCCC)[C@H]1CC[C@H](CCC)CC1	2216286928	ZFWRYHWCUWGVMB-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCCC(=O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216748286	UNJMDAOMYGRCQS-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)C[C@H]1CCC[C@@H]1C	2217140955	KWTRDUFEJBOASW-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218362039	SPDVUMBCOQAPNZ-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)c1ccc(C(C)C)cc1	2220879548	VMIPEWLXEMCZDN-XOKHGSTOSA-N	245.410	4.636	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)[C@H]1CCCCC1(C)C	2221993173	IGINPLCIRCYDEB-ZBFHGGJFSA-N	245.410	4.520	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H](C)c1ccc(C)cc1	2223970120	VGHFKYXWNGTVKB-ZBFHGGJFSA-N	247.426	4.642	0	10	BJAE	
CCCC[C@H](NCCC)c1ccc2occc2c1	2224132466	WZDZXGNWMYGREU-HNNXBMFYSA-N	245.366	4.664	0	10	BJAE	
CCCC(CCC)[C@H](N)c1csc(C)c1C	2242610828	FDDZLTBEUHZFAO-AWEZNQCLSA-N	239.428	4.581	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1csc(C)c1C	2242619693	DMTNWDSXWNSQGH-JSGCOSHPSA-N	240.412	4.615	0	10	BJAE	
CC(C)=CCC(=O)CC[C@@H]1CCC[C@H](C)C1	2242760345	ATNZAPFEMBFBQK-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CC(C)CCCC(=O)CCCC[C@H]1C[C@H]1C	2243039675	MTVQXZDHRWJZSD-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@@H]1CCCCC12CC2	2246602912	NVPLOQBVKRWBGW-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)[C@H](O)CC[C@@H]1CCCCC12CC2	2246623089	JMFLHBTXBLHBFQ-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@H]1CCCCN[C@H](C)CCC(C)(C)C	2247121505	IAASPNXCNAOVDJ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC1(C)C)C[C@H](C)CC	2247316678	ZCHWVPNERNQWOR-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)c2csc(C3CC3)c2)C1	2248070261	RPYABHRNCDXNHL-GHMZBOCLSA-N	248.391	4.635	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@](C)(O)CC1CCC1	2248868830	DOTLWMNFKXHZFX-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1ccc2ccsc2c1	2253052714	AEOMHYJFBYABEO-XHDPSFHLSA-N	247.407	4.598	0	10	BJAE	
O=C(CC[C@H]1CCCCC12CC2)C1CCCCC1	2253813511	UCSSVQTVSXKCFG-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1	2254569116	NNWSSGHTMLSSKV-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@@]1(C)CC1(C)C	2255056029	YVWGGZRRUDMAFB-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@@H](CC[C@@H]2CCCC23CC3)NC)CC1	2255290925	KRGXPXLCQBHPNK-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)Nc1nc(C)cc2occc12	2256865614	QQDYRKNACDQOPS-LBPRGKRZSA-N	246.354	4.517	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@@H]1CCCC12CC2	2257255887	KYMRIIQGVFETEG-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cccc2ccccc12	2259446082	DQLLKNRFFNXFJD-CXAGYDPISA-N	242.362	4.700	0	10	BJAE	
CC1CCC(CC(=O)C2CC3(CC(C)C3)C2)CC1	2259448547	HMRNBPMFCYRNSK-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)c1cccc(CC)c1	2259448981	TVMQLMCVPIASEP-RDJZCZTQSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCC=Cc1ccccc1	2259470047	JEGDHTZIQHCBGK-IRXDYDNUSA-N	245.410	4.634	0	10	BJAE	
CC1CCC(CC(=O)[C@@]23CCCC[C@H]2CC3)CC1	2260524364	LYGXGGXPAFXGRY-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C(=O)CC[C@]23CCC[C@@H]2CC3)c1	2260576369	YVXFFDOAXZDRNK-NVXWUHKLSA-N	242.362	4.538	0	10	BJAE	
N[C@H](C[C@]12CCCC[C@H]1CC2)C1CCCCCC1	2260623870	QYKGHMQGKWXEDT-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CNc1cccc(C2CCCC2)c1)C1CC1	2260727964	WNCMEAHWZQKPCC-ZDUSSCGKSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@@]12CCC[C@@H]1CC2	2298715265	WGVILMSWTQLQNK-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@@]12CCC[C@@H]1CC2	2298721920	DJNKNRJQVZQHDQ-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@H]1CC=C(C)CC	2300896435	IJORJBDQDHBCLN-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](CC2CCCCCC2)C1	2301241874	MVDDRQHUBOPGMV-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1C(=O)C1(C)CCCCCCC1	2301257427	ACXNOOZNXWKPRB-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCC=C(C)C)CCC1=CCCCC1	2301900061	PFCVLCJTJIKXGX-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
C[C@H]1[C@@H](C(=O)CCC2CCCCC2)CC1(C)C	2302080785	VDGNRVAFMMEQEW-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CCCC1=CCCCC1	2302340204	HKHUCSUWSXXBOG-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@](C)(CN)C[C@@H]1CC[C@H]1C(C)(C)C	2303464224	CSLSNBLQUZCKKF-LZWOXQAQSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cccc(C(C)C)c1	2303707875	ALDHXPVDIWBIKB-ZDUSSCGKSA-N	232.367	4.819	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)C1(C)CCCCC1	2307839445	YSQHBTZYMLNKTG-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]2CCCC[C@]2(C)C1)C1CCCC1	2308400147	JOBXYLIUTDTUKW-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1C[C@@H]1C)[C@@]1(C)CC=CCC1	2310433696	CHCAOCZHIWTOIK-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)C[C@@H]1C[C@H]1C	2310969973	AKMXKISBZDFDOR-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCCC1)C[C@@H]1C[C@H]1CC	2310970613	ALTJLJJMAXYUEN-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@@H](N)CC[C@@H]1CCCCC12CC2	2312664164	ZKYCBRMXOVNVOY-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CC1)C1(CNC2CC2)CCCCCC1	2313585423	XHTMXVWEPYBXAQ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)c1cccc(C(C)(C)C)c1	2313643008	WWAFFWGQQIATTD-LBPRGKRZSA-N	244.378	4.603	0	10	BJAE	
CCc1cc([C@@H](N)[C@@H](C)CC(C)(C)C)ccc1C	2314694660	MNRMZLSLOXPUKC-BBRMVZONSA-N	247.426	4.630	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CCCC[C@@H]1F	2315878563	VKIZPRRMEPKLBN-LSDHHAIUSA-N	249.373	4.811	0	10	BJAE	
CC(=CC[C@@]1(N)C[C@H]2CC[C@H]1C2)CCCC(C)C	2316519803	BJLAFKWUPRTIEU-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1(C2CCC2)CC1	2316533867	DMABNGBMRTYTIK-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316782900	MYARQTIGYQWDKH-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1NCCC1=CCCC1=CCCCC1	2318592475	JMXRAQHVFNAKIC-MRXNPFEDSA-N	247.426	4.601	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)C12CCC(CC1)C2	2318593241	RQHLHAHZXYSRGQ-AQFXKWCLSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCC1CC1)CC[C@@H]1CCCC12CC2	2318887601	GLRHEPQJHDJBBK-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](CC[C@@H]1C[C@H]1C)C[C@@H]1CCC(C)=C(C)C1	2320395478	FAKRSHVIUSNJAU-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H](C)C2CCCCC2)CC1	2320406924	UWXYBZMCUXJCAA-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@H](NC)c1cccc(C(C)C)c1	2320513108	HFGMTRJYHRABFZ-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CC(=CC[C@@H]1CCC(C)(C)C1)C[C@@H]1CCCCN1	2321604636	DQUFGAGHEGDDME-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@@]23CCC[C@H]2C3)C1	2321628339	QTEUBTNGAWYBLC-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)C[C@@H]2CC2(C)C)c1	2327682312	PYAUGLRSRGTJAA-CJNGLKHVSA-N	246.394	4.588	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)c1ccc(CC)cc1	2328191776	YCRMCVBXOCMTNJ-WBVHZDCISA-N	247.426	4.639	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1Nc2ccccc2C[C@@H]1C	2328267331	ADMUVJINQNXSFY-ZQIUZPCESA-N	245.410	4.876	0	10	BJAE	
CCO[C@H](C=C(CC)CC)c1ccccc1	5307137	OBONOXHOJSGALN-OAHLLOKOSA-N	218.340	4.511	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc(C)cc1	21011430	IFEXGERDOXBNIC-OCCSQVGLSA-N	219.372	4.622	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)c1ccc([C@@H](C)CC)cc1	21815749	URWHRMUQYGIBLM-WOSRLPQWSA-N	233.399	4.636	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](CCC(C)C)NC)cc1	35469066	VPCHZQIVPWLNAN-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CCC(C)C)c1C	36940017	JTYHVJOAJAWCKA-UHFFFAOYSA-N	232.367	4.539	0	10	BJAE	
c1cc2cc(NCC3CCCCC3)ccc2s1	36975910	OJYKLDKPLALENI-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cccnc1Cl	36982788	YYOLKIQXXUOKNR-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
Cc1cccc(N[C@@H](c2cccs2)C(C)C)c1	37185347	DGWPHUCCSLHXBA-OAHLLOKOSA-N	245.391	4.866	0	10	BJAE	
Cc1c(-c2ccc(F)cc2)oc2ccccc12	39110896	PYJXGEFCIIBKMR-UHFFFAOYSA-N	226.250	4.547	0	10	BJAE	
CCCC(=O)CCCc1ccc(C(C)C)cc1	41259605	JZYFCTMXLUNAPI-UHFFFAOYSA-N	232.367	4.502	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1ccccc1CC	68868568	YXOSOGZMWULUJZ-WMLDXEAASA-N	248.410	4.889	0	10	BJAE	
CCc1ccccc1N[C@@H](C)c1sccc1C	70089767	MFJWMYKSNVZMRX-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@@H](O)C(C)(C)C	70779561	UNVMCXTWQFGCPB-ZIAGYGMSSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](NCC)C(C)C	71083968	DYBHUPXWLMQRRF-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1[C@H](C)c1ccccc1	75841826	QWXYTHAAWNMFRH-GFCCVEGCSA-N	230.738	4.800	0	10	BJAE	
CCC1CCC(N[C@H]2CCC[C@@H](C3CC3)C2)CC1	81637407	PPFQONCQVIXCHO-INXRADFVSA-N	249.442	4.514	0	10	BJAE	
CCCCCCOc1cc(C)ccc1Cl	82102280	PXKMCNFIILUDTH-UHFFFAOYSA-N	226.747	4.608	0	10	BJAE	
CCCC[C@@H](C)Nc1c(C)cccc1Cl	85387880	MLIFKBGFTQWFQL-LLVKDONJSA-N	225.763	4.639	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H]1CCC[C@H](CC)C1	92116910	HGZBGWWOTKJSIY-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@@H](C[C@@H](C)CC)c1ccc(C)cc1	93139163	QQEWBHMRAODMTC-WMLDXEAASA-N	247.426	4.514	0	10	BJAE	
Cc1ccc([C@@H](C)NCCC2CCCC2)c(C)c1	109896815	VBUOFEYQTHDTEJ-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@H](C)C2CCCC2)c1	132619726	RUBJOPWJQCMVGX-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
CC(C)CCCCNc1nc2ccccc2s1	134320748	RUUYTALDDZLXBE-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCCCC[C@@H](CC1=CCCCC1)NCCC	161384223	OMSFMRZWAUVQGG-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
Cc1cc(F)cc(C(=O)CCC2CCCCC2)c1	169039093	IFFMENZPVVTKJM-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
C[C@@H](F)C1(c2ccc(Cl)cc2)CCCC1	220501392	IUBJAZZTRBOHKX-SNVBAGLBSA-N	226.722	4.510	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(N)CCCCC2(C)C)C1	226860317	XYRKQEQSUYEDKQ-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)CC1CCC1	229688982	JOCJJOUUDUFOIV-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@@H]1CC	229698397	RFMFVBMIHDKHRI-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)c1c[nH]c2ccc(Cl)cc12	232830492	AGENEXGEMQQJIQ-UHFFFAOYSA-N	221.731	4.509	0	10	BJAE	
CCCC[C@@H](CC)[C@@H]1CNc2c(C)cccc21	232984446	MYJNSHWRDAWGSA-HIFRSBDPSA-N	231.383	4.721	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCC[C@H](C(C)C)C1	300316873	XEIXIQYCSSKMCG-VGWMRTNUSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)[C@H]1CC1(C)C	300424508	FJWWJCWPCUOZJU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H](C)CCC)NCC	300920901	LEUBQPNLZZMPKX-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCCCC1CCCC1)C1CC1	302246636	IQJFGVJLQUGEQU-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCCCCC(C)(C)C)c1ccccc1	302331561	SNCUROVSGKPYSY-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CCCN[C@H](C(CC)CC)C(C(C)C)C(C)C	302568405	OMAMJDLDTVAJEM-MRXNPFEDSA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H](C)CCC(C)(C)C	304329222	DECACWBPWZZUNP-KGLIPLIRSA-N	227.436	4.616	0	10	BJAE	
Cc1ccccc1[C@@](C)(O)CCC1CCCCC1	305898177	UADCZCVKQLZBSF-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@@H]1CCCCC1(C)C	305920024	LRJGLUQPZXKDCF-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCOc1cc2ccc(Cl)c(Cl)c2s1	306897279	SMNAKYUZKNQZFP-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
Fc1c(C(F)F)cc2sccc2c1Cl	307487956	CYULLPJIYDLOMM-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC(C)CC[C@@](O)(CCCC(C)(C)C)C1CC1	310169428	PDNBJBJYPHCQFD-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)CC1CCC(C)CC1	310554933	XYMAWCHBIFUVEW-LVDPKSTMSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](NCCCC(C)(C)C)c1cccc(C)c1	313249422	AKYMAPVZGWVAIX-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCC[C@](O)(CCCC(C)C)C1CCCC1	313388342	BWHVAZAHRMNHOU-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2	314577751	FVWHEXISTXRMDB-CYDGBPFRSA-N	249.785	4.577	0	10	BJAE	
CCNC[C@@]1(CCC(C)C)CCC[C@H](CC)C1	317358718	ZHUDLEBLIICHPO-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC(C)(C)C)(C(C)C)C1	317762846	AFTVOVXABBBTQI-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C(C(C)C)C(C)C)[C@@H](C)[C@@H](C)CC	320061326	WAAWEGZYKFCOBD-OFQRWUPVSA-N	241.463	4.575	0	10	BJAE	
CC(C)CCCCC[C@@]1(CN)CCC[C@@H](C)C1	383219470	DWRPRRYSKAEAHX-HZPDHXFCSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@@H](C)c1ccccc1	384344882	YOQUGHDLLMVKBM-VYDXJSESSA-N	248.410	4.758	0	10	BJAE	
CCCc1ccccc1[C@H](N)C[C@@H](C)C(C)(C)C	384691053	WXZVOOXBYBWCIV-CZUORRHYSA-N	247.426	4.711	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCCC12CCCC2	392782966	PTOLWEMJPLHDHX-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCc1c(C(F)F)sc2ccc(F)cc12	396194373	HQBIFXISWSJZGA-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCC[C@@H](Nc1cc(C)ccc1C)[C@H]1CC1(C)C	397577227	DSLNCXBTSOPZJT-HUUCEWRRSA-N	245.410	4.930	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C1CCC1)C(C)(C)CC	398697569	IXOFEPVYYMZALV-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CC=CCC2)c1Cl	402143380	LMGQGIKAZWMZHM-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
C[C@@H](C[C@H](N)CCC(C)(C)C1CC1)C(C)(C)C	405792580	GXQRJYFNROPIET-GXTWGEPZSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C)CCCC(C)(C)c1ccccc1	686728998	QVWLJEJMDSSDRW-OAHLLOKOSA-N	247.426	4.523	0	10	BJAE	
CC(C)(C)SCCNc1cccc(C2CC2)c1	690115502	YVBQJCHVGMNDFM-UHFFFAOYSA-N	249.423	4.508	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H]2CCC23CCCC3)C1	693901332	RHKCTNGWJGCVRA-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](NCCCC2CCCCC2)C1	694053683	PFTYWYHKZJRJFU-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCC(=O)CC1CCCCC1	696663246	LFSRPZGCRBKRMV-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1CC2CCC1CC2	697216551	WVPRCFOAYYLABI-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCC=C(C)C)C(C1CCC1)C1CCC1	697772023	PEAADIRPDYJWEF-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C2(C(C)C)CC2)cc1	700034258	GJJQVKXMWMTWRO-BBRMVZONSA-N	246.394	4.670	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCC(C)(C)C[C@H]1C	704494715	HFVVGSWSWSAESC-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)CCC1=CCCCC1	704554944	BRPMQJNYASZNCV-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
CC[C@@](C)(CCC=C(C)C)CNC(C)(C)C	704620939	BEBKHDXFYODFCW-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)CC1CCCC1	704939881	WDDWAGGUWCOARW-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@](N)(CC)C1CCC1	705300746	YKMNMWHKTTYDRE-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CN[C@@H]1CCCC[C@@H](C[C@H](C)CC(C)(C)C)C1	709182484	CBEPYHSMPFGRGY-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCc2nc([C@H](C)CC(C)(C)C)[nH]c2[C@H]1C	709272544	LLOMVMZQIUKXBG-TUAOUCFPSA-N	248.414	4.635	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@@H](CC)C(C)(C)C	711101568	CCPMVDWPZIPSQO-KGLIPLIRSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)CC[C@@H]1CC(C)(C)C	713246086	DBBFOAIUTCNAKT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cscc1C(F)F	717255629	AAYNEDORXZDWSG-YUMQZZPRSA-N	246.322	4.551	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)c1cc(C)co1	718476266	YCVZAADFAKNHGO-HNNXBMFYSA-N	247.382	4.519	0	10	BJAE	
CC[C@H](C[C@@H](N)CCC(C)=C(C)C)C(C)(C)C	718490698	CXHSFIVHMAZPND-CABCVRRESA-N	239.447	4.913	0	10	BJAE	
CC(C)(C)CCCN1[C@H]2CC[C@H]1c1ccccc12	1617644819	BQMOLXPDKYGJTJ-HOTGVXAUSA-N	243.394	4.705	0	10	BJAE	
CC1(CN[C@@H]2CCCC2(C)C)CCC2(CC1)CC2	1875708303	FEOHCXMCWKYYNG-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1NCC1(C)CCC2(CC1)CC2	1875708416	GUSCJIFJAUJEGI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
FC(F)c1sc(C2CC=CC2)cc1Cl	1892928876	FSSQPWMJRWBSIH-UHFFFAOYSA-N	234.698	4.773	0	10	BJAE	
CC(=O)CC(C)(C)CC[C@@H]1CCC(C)(C)C1	1903416608	ARXJTCPITZKPEQ-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)C[C@H]1CC[C@H](CC)CC1	1909710205	BPVLVSMZGHLZMN-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CCC)NCC=Cc1ccccc1	1912058747	RMDPOZBCDWQFIZ-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
CC(C)CCCN[C@@H]1CCC2(CCCCC2)C1	1915854695	KJBMRPVYSVUNDU-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1N[C@H]1CCC2(CCCC2)C1	1916439864	BPARFNAHTJWGSV-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
c1cc(N[C@H]2CC[C@H]3C[C@H]3C2)cc(C2CCC2)c1	1917330152	SJGHPFLNHWXBOJ-ZOBUZTSGSA-N	241.378	4.555	0	10	BJAE	
CCCc1ccc([C@](C)(N)CC(C)(C)CC)cc1	1920453237	ZIBKHJDDEYSVFR-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CCc1ccc([C@](N)(CC)CC(C)(C)CC)cc1	1920476500	IRIULUJTPVKSJK-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)CC1CCC=CCC1	1924120785	BMUABAHIVPRYIC-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)C[C@@H]1CC=CCC1	1925145654	OPUDIUQZNIRXQD-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@H]1C=CCCCC1	1925783961	CACDUJUKOATPOZ-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@H]1CCCC[C@H]1CC	1926371815	JNWNHWYRIXNGFS-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)c1cscc1Cl)C(C)C	1927988231	BIWMMJPASFGKLL-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)c1cc(C)cs1	1939447347	TYAUVYOILQIXSF-GXTWGEPZSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1CCC[C@@H](C)CC1	1939899148	NHPQPKGISNBKTQ-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)C(C)(CC)CC	1940852067	BISUWQLXBQPKEY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(NCCC[C@@H]2CC2(C)C)c1	1940872405	MBBUWADSBIJACS-CQSZACIVSA-N	231.383	4.542	0	10	BJAE	
C[C@H](C[C@@H](O)CCC[C@H]1CC1(C)C)C(C)(C)C	1940880974	COLJDPUPCBNAAY-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CCC(C)(C)C[C@H]1C	1942665660	ZOWAEOUYWMTTRH-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@H](O)C[C@H]1CCC[C@@H]1C)CC(C)(C)C	1944841962	GGFXWBAUMZRBOH-BARDWOONSA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@H]1CCC[C@H]1C	1944849225	KVPCNSSCQVWDBY-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H](C)[C@H](C)CC(C)C	1948324902	DHGQSNAJDUZMJR-YPMHNXCESA-N	237.362	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCC1CC(C)(CC)C1	1948404561	APBGHRXBCFHVEG-UIDBIOKJSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC[C@H](C)C1CCCCC1)NC	1948422613	IKEUJNXVGOZMIN-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1CC[C@H](C)[C@@H](C)C1	1948865227	UBURLQCPUKTIPO-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CCC2=CCCCC2)s1	1949050509	FNYRDAYQWFBZFL-AWEZNQCLSA-N	249.423	4.645	0	10	BJAE	
CCCCC[C@](C)(N)[C@@H]1CCC2(CCCC2)C1	1949551203	IUDFMNNGFKCGMI-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCC(CC)[C@H](C)NCc1ccccc1C(C)C	1963157241	PSEHJJGYFVCVGN-AWEZNQCLSA-N	247.426	4.724	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@H](C3)C2)CC1	1965905171	VDSBNMLZTMUFDE-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](N[C@H]2CCCCC23CCC3)C1	1967791021	DLTIBQUZVLEHHM-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1F)C1CCCCC1	1969469605	COTVWBVEFXKDBK-AWEZNQCLSA-N	249.373	4.905	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)c1ccc(C)cc1C	1973174130	XOSLBCCEGSJORY-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
Cc1cc(C(=O)C[C@@H](C)CC(C)C)c(C)s1	1978417240	SVUOOIVUVRKWGW-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CC[C@@H](C)C1	1978456632	YLPZGKMBHJOBJF-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC=CCCC[C@H]1C[C@H](CCC)CCC1=O	1984575412	MNPHJVUOTFSIGC-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CC=CCCCC(=O)[C@H](CC(C)C)C(C)C	1984588999	KPQGLQYWAMFXJH-CQSZACIVSA-N	224.388	4.620	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H](C)CCC	1984604837	CIUCNQGXJAWLPM-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NC)C(CCC)CCC	1984629720	KHWYURDCZFASBL-SBJJXXPASA-N	225.420	4.537	0	10	BJAE	
CCc1ccsc1[C@@H](O)C(CC)(CC)CC	1985603689	DBGWCZVFTZRWGL-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
CC(C)=C(C)CNc1cc(C)c(Cl)cc1C	1989653952	RZIFQHBATNZURQ-UHFFFAOYSA-N	237.774	4.725	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC(C)=C(C)C	1990124561	AAMBCTGZTJYIBQ-HNNXBMFYSA-N	225.420	4.633	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CCCC(C)(C)C	1990836918	PEDBNALTLKFNHG-AWEZNQCLSA-N	227.436	4.569	0	10	BJAE	
C[C@H]1CCCCC[C@H]1N(C)C1CCCCCC1	1995704026	IOEFIWLEURXSBX-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CC(C)[C@H](C)CNc1ccccc1SC1CC1	1996549498	PVIYNTSMWCMOLL-GFCCVEGCSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](C(=O)CC(C)C)C1CCC(C)(C)CC1	1996550544	YZMQWEVVVROGRB-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C1CCC(C)(C)CC1	1996595464	VYIPRTREDPLBBU-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCCC1(O)CC(C)(C)C(C)(C)C1	1997810693	YCVZEJYPODODOL-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CCC(=O)CC1CC(C(C)(C)C)C1	1998234382	HTUWJSWEHAVYGG-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2CCC=CCCC2)CC1	1999988665	SEBIVAAISXXIQA-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CN[C@H](CCC1(C)CCC1)CC1CCCCC1	2001150719	FVKQLQQTNYJSCO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@]1(N)CCCCC12CCCCC2	2001572164	KUXRXOXFAGETMW-INIZCTEOSA-N	237.431	4.789	0	10	BJAE	
CCC1(C(=O)C2CC(C(C)(C)C)C2)CCCC1	2002319687	HUSHLCQCCKUYFB-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H](C(F)F)C(C)(C)C	2002425761	KHMOLRQTFRHGQM-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(N)[C@H]1CCC[C@H](C)C1	2002997110	AFLGNHPXEZGPGA-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)[C@H]1CC[C@H](C)CC1	2003066922	KOKFYORTMWHRBL-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCCCC(F)(F)C1	2003206521	XJFSKMLPJIQROU-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)C1(C)CCCCCCC1	2004942245	QKOFJGYNLSBOGN-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@H]1CCCCC12CCC2	2005563351	JSZHLCGKKSCMQR-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC1CC(C[C@@]2(O)CCCCCC2(C)C)C1	2007760024	NSYQJUUZGIANEB-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
O=C(CCC1CC(C2CCC2)C1)c1cccs1	2007774340	HCAPZVINNBXKFA-UHFFFAOYSA-N	248.391	4.537	0	10	BJAE	
C/C=C/CCC[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2009570438	BDQMLXRBGRIFNF-CKAOXQASSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)C(C)(C)C(C)(C)C)CC1	2010762808	JRTJWWVTZWYANF-TZMCWYRMSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H](CCC)[C@H]1CCCCCC12CC2	2011275215	QGQDYLGKBJURJT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011986045	KPPCYEWKGCBAJA-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CC)c1occc1C	2012055968	CNGSZDGPQORQCK-KBPBESRZSA-N	237.387	4.598	0	10	BJAE	
C/C=C/CCC[C@H]1C[C@H](NCC)CC(C)(C)C1	2012065369	WQLPXEYLBPKJAU-CJKAQPIMSA-N	237.431	4.537	0	10	BJAE	
O=C(CCC12CCC(CC1)CC2)c1cccs1	2012805823	KHHSPOSEFJJYMX-UHFFFAOYSA-N	248.391	4.681	0	10	BJAE	
Cc1cccc(N[C@H](C)C2(C)CCCC2)c1F	2014339004	KBWZFDXTUAWJOP-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)[C@H]1CCC1(C)C	2014906360	YUGQJYIGUFPRHX-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)[C@@H](CC)CC(C)C	2015279703	ZBMPTEMVGKAQIL-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CCC(=O)C[C@@H](C)C(F)F)C(C)C	2015387729	KWCGPBIIROVJLZ-LLVKDONJSA-N	248.357	4.555	0	10	BJAE	
CCC1(NCC2(C(C)(C)C)CCC2)CCCC1	2017140354	GIOPGJIKDJRXKY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)NCC(C)(C)CC1(C(C)(C)C)CCC1	2017140537	IIYZTMZRCOKHDN-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1CC(C)(CC)C1	2017476078	UGUOGZRZZYPDFR-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(CN(C)CC(C)(C)CC)CC1	2017652927	MYVWDKALALWXRS-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC1CCC(CC(=O)[C@H](C)C2CCC2)CC1	2017770109	HUBPSPUOUKOWEI-IYXRBSQSSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CCC(C)(C)C1CC1	2017781130	ILOKXDOBLPVYCP-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H](CC)C(C)(F)F	2018137610	XNLRDPUQQBILOU-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCCNCC(CC)(CC)CC1(CCC)CC1	2018983210	UUKCSOBUWGJOPY-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCCN(C1CCC(CC)CC1)[C@H](C)CC	2019163983	NEKFPLQGOMBHEQ-QQFBHYJXSA-N	239.447	4.856	0	10	BJAE	
CC(C)CCCCCN1CCCC[C@@H]1C(C)C	2019345065	WVDLZPIUNNACHH-MRXNPFEDSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H](C)C1CCCC1	2020969128	YTNGYEIHTCIFSB-CJNGLKHVSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H]1CCCC1(C)C	2021081556	FEYJIWMXVLHSSI-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1C[C@H]1C(C)(C)C	2022556220	DEYMTWSLZQGBMY-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
Cc1c[nH]c(-c2cccc(C(C)C)c2)cc1=S	2023460793	PTGQYXDSYBKEQX-UHFFFAOYSA-N	243.375	4.843	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H]1CC(C)(C)CCC1=O	2024124766	OSAFFJVAVALDCL-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@H]3CCC[C@H]2C3)cc1Cl	2026242323	NRZBBOGTKUXTLP-HUBLWGQQSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CC2(C)CCCCC2)c1	2027310968	GJZXMPFHVTXSQS-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCC2(C)CC2)c(C)c1	2027808494	TVFADGJLNRXOQC-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)c1cc(C)oc1C	2027824117	YYQCIXUGCINWOT-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)CC(C1CC1)C1CC1	2027855663	QKUFURSSQIYXPL-AWEZNQCLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)C1(C2CC2)CC1	2028100594	AUJLGRRZUQQXLX-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H](CC(C)C)C(C)C	2028266224	USVDFXLUCSAGBB-IAGOWNOFSA-N	247.426	4.656	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1ccc(C2CC2)cc1	2028593320	LSXSIXMNNZGFHA-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
CC1(CCC[C@H](N)[C@@]23CCCC[C@@H]2CCC3)CC1	2031755930	ABZFUTKYPGSNQL-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(N)CCC3(CCC3)CC2)C1	2032251040	IOAJCHBRHSLXMG-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1NC1C[C@@H]2[C@@H](C1)C2(C)C	2032443031	DNSPPTWWKVPPMD-HUUCEWRRSA-N	243.394	4.657	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2032779325	WOKPAFNINVCLCE-LISQQWEMSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1[C@@H](C)[C@@H]1CC	2033498770	QNKTUZAYENFPLR-QMCVQRASSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CCCC1)C1CC(C)(C)CC(C)(C)C1	2033810620	LIESUUVOQYOHEN-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(NC2CC3(CCC3)C2)cc1	2034552662	IMQULDXGWQHPPI-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@@H]21	2035405813	YJVBXPXXGLUISF-BQJWPVKWSA-N	249.442	4.514	0	10	BJAE	
CC(C)NCC1(CCC2CCCC2)CC2(CC2)C1	2036198551	VXQWBJYDFZVZEG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)c1cccc(C2CC2)c1	2036353626	FBMXHDCALCCPEW-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)c1ccc(C(C)C)cc1	2036376358	SNBHLUOQBFGQKT-RHSMWYFYSA-N	247.426	4.666	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)CC1CC2(CC2)C1	2036756634	DREPELPSTIYGKB-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H]2CCC[C@H](C)C2)cc1C	2037049287	ZBSYTWRVXFSMKV-NUTKFTJISA-N	245.410	4.520	0	10	BJAE	
CC1([C@H](N)CC[C@@H]2C[C@H]2C2CC2)CCCCCC1	2037131610	UEZAHSLYZZFMOX-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1=CCCCC1)[C@@H]1CCC2(CCCC2)C1	2037588338	VAVGJIGODQRICH-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@H](NC)c1ccccc1	2038138502	KYXWRXADEBBQFZ-PVAVHDDUSA-N	245.410	4.554	0	10	BJAE	
C1CCCC(CCNC2C[C@@H]3CCC[C@H]3C2)CC1	2038614204	LUQSZUBQOXTEHY-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1=CCCCC1)[C@H]1CC12CCCCC2	2039082057	NUVDPSDJCRFVHK-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@H]2CC=CCC2)CC1	2039386717	UJJBOJRFGOVRGL-HRCADAONSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CC1CCC(C)CC1)[C@]1(C)CC=CCC1	2042027165	KQKSTLMHDGGXIX-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@H]1[C@@H](C)[C@H]1C	2043288480	ABJGVTIAZAJKEG-YALNPMBYSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(CNC[C@H]2CCC=CCCC2)CC1	2045332724	RGLWZTTVXUWEQM-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
O[C@H](CC1=CCCCC1)C[C@H]1CCC=CCCC1	2045344465	ZWDZRXQLRVOZDW-RDJZCZTQSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(F)c2cccc(N)c2)C1	2045505178	FTXIPKNJCVPFJB-CZUORRHYSA-N	249.373	4.670	0	10	BJAE	
CC1(CNC2CC3(CCCCCC3)C2)CCCC1	2046230270	PDJJOTQRVRRWGU-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C[C@H]1CCC12CCC2	2047931280	DPWXIFSHZJQNHL-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@@H](N)C[C@H]2CC23CCCCC3)CCCC1	2049792176	GHVGGDFKGMVCBV-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)C[C@H]1CCCC2(CC2)C1	2049851535	FJAYUZNICJNCGG-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1CC(CC2CC2)C1	2050218992	GDZCMGDMLSCSCK-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CC)c1cccc(C)c1	2050431918	SWJJTVZPGKLPDN-WMLDXEAASA-N	247.426	4.862	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(CN)CCCCC23CC3)C1	2053412538	SKZYXXCDATUZJQ-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1cnccc1C(C)C	2053854526	UDFRLKCQKPTLTD-UKRRQHHQSA-N	246.398	4.586	0	10	BJAE	
CCc1cc(NC2CCC(C)(F)CC2)ccc1C	2053907433	ZKOLODFBBRFIRM-UHFFFAOYSA-N	249.373	4.640	0	10	BJAE	
CN[C@@H](C=C1CCCC1)c1ccc(C(C)C)cc1	2056874874	AUSPCNLIMUFTIT-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@]1(C)C=CCC1	2056876724	SYYHPWGJKLJPQP-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)[C@@H]1CCCCC1(C)C	2056879823	WZAVNVWFIJLZDB-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)c1c(C)cccc1C	2059177010	GDOGUTAQTJIKTF-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CC=CCCCC(=O)c1cccc(C(C)(C)C)c1	2059195695	KPDZTHJLOGKLGS-UHFFFAOYSA-N	244.378	4.913	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@H](C)C2CCCCC2)CC1	2061113517	PKLGAXONNKJGRH-CPUCHLNUSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCC[C@@H](CC)CC2)CC1	2061114320	XKJCZKDNUYBKCC-BFYDXBDKSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@@H](C)C2CCCC2)CC1	2061140904	QTTNDEUMLDHWPO-JJRVBVJISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@@]1(C)C[C@@H]1C	2061142328	BUNZTMOWRNNKGB-DIECFANBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C[C@]12CCC[C@@H]1C2	2061615560	GPXBEYNKQZHLEM-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CC1CC(=C2CCC2)C1	2061695265	AWUNHOCRAOBNBM-LRDDRELGSA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CC2)C1)C(C)(CC)CC	2061725699	HZOLSNWFOXPMOJ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C1CCCC(NC[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2063406027	JYOUIWHMWWICSN-PHZGNYQRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCC12CCC(CC1)CC2	2065259690	UZDFZOAEBSTWJT-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@]1(CC23CCC(CC2)CC3)CCCN1	2065307288	FPWYVJNCJNWDDA-OFLPRAFFSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1C[C@@H]2CC[C@@H]2C1	2068699706	SWYYPMNFJGCPET-QKDCVEJESA-N	244.378	4.625	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)C)c1ccc(C2CC2)cc1	2068816234	GWGFMMXFQRLBIO-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CCC2)C1CCCCC1	2069201340	LRSGBUXMYOUJBO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C1CCCCC1)C1(CC2CC2)CCC1	2069511311	NEVBRBOVTGKAGT-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@@H]2C2CCC2)ccc1C	2071786646	OKZDOVCARMZBDC-IAGOWNOFSA-N	243.394	4.548	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)C[C@H]1CC[C@H](C)CC1	2072793365	JMSFORJJQLKGBD-SRQBIAJPSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC[C@H](C=C2CCC[C@@H](CCN)C2)CC1	2072814955	HWOLEEFOIYDHOL-JYJNAYRXSA-N	249.442	4.668	0	10	BJAE	
c1ccc2c(N[C@H]3CCC4(CC4)C3)cccc2c1	2078346732	KKCZLNDIEOEQPH-AWEZNQCLSA-N	237.346	4.584	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@H]1C[C@@H]1C1CCCCCC1	2079523109	MXXNUDJZXKRVQV-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](O)c1ccc(C(C)C)cc1	2079555328	UUOZWYALICMBMP-ZACQAIPSSA-N	246.394	4.670	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)C=C2CCCCC2)c1	2082944815	PEDCLZAFHMJZBW-KRWDZBQOSA-N	244.378	4.536	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCNC3(CCC3)C2)C1	2082975406	IQBFBBDLWZRWSC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)c1cccc(C(C)(C)C)c1	2083544168	ORQJAMNGMHCGNO-QGZVFWFLSA-N	247.426	4.594	0	10	BJAE	
C(CCCC1CC1)CCNCCCCC1CC1	2213571706	MAALMSPTEBUZCC-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
O=C1CCCC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218375069	SHBAPPCXHGIGJS-XUWVNRHRSA-N	248.410	4.742	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)[C@@H]1C=CCCC1	2218379293	BZNUWVGKTPYZNE-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NC1CC(CC2CC2)C1	2218560399	FCSDGAYBWWDHDF-XGHPGWEVSA-N	249.442	4.514	0	10	BJAE	
NC[C@@]1(CCCCCCC2CC2)C[C@H]2CC[C@H]1C2	2218721286	QIUHGHQAPMYVRH-YESZJQIVSA-N	249.442	4.502	0	10	BJAE	
CCC(C)(CC)[C@H](C/C=C/c1ccccc1)NC	2219096883	ZWIDBHPHTKKBBK-ISBHARSQSA-N	245.410	4.504	0	10	BJAE	
N[C@@H](CCC1CCC2(CC1)CC2)C1CCCCC1	2220301304	VRMZTYQOPCEYNI-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CCCCC2(C)C)CC1	2221643067	LTYARRHEAWJQLJ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NC[C@@]2(C)C=CCC2)C1	2222254401	BMQSAQXSFWIENP-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)CC[C@@H]1C1CC1	2223112199	ATLRCONCPRKBSU-SJORKVTESA-N	249.442	4.645	0	10	BJAE	
CCC[C@]1(CC2(C)CC(C)C2)CCCCCN1	2246522430	JOJXMYIBSZHZEA-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCCC(=O)C[C@H]1CCCCC12CC2	2246610091	MMSCVRBOEHSBIX-BAABZTOOSA-N	234.383	4.662	0	10	BJAE	
CCCCCC[C@H](C)NCCCC[C@@H]1C[C@H]1C	2247112429	ADPUAJVNMJAKTI-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CCCC[C@@H]1C[C@@H]1C	2247115358	VMKIBCLPYAYAQH-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@H](C)[C@H]1N	2250482096	RMVAGAHOFOXZLA-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@]1(C)C[C@H]1C	2250482454	UDNWNTLBFGHHSN-SQWLQELKSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@@]1(C)CC1(C)C	2250489827	CHRZITKDIMMWTR-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@]12CCC[C@@H]1CC2	2251218594	UEAGEJMJYBJEOO-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251703901	XSWVWIOEVBPEPA-MELADBBJSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@]1(N)CC1=CCCCC1	2255092503	UURUNDVFTMURCE-PVAVHDDUSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C1(C(C)C)CCC1	2255092918	XBBFLUXXRITBOJ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@H](CNCC2=CCCCC2)CC1	2255099888	MDTMMBSIUYOMLL-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CC2=CCCCC2)CC1	2255138508	WLSICSAWGIANRG-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
C[C@H](NCC[C@@H]1CCCC12CC2)C1CCCCC1	2255231895	DANLKZSYZWMIOJ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)CC[C@H]1CCCC12CC2	2255278440	NQDSTBUBLVWXGC-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](Nc1c(F)cccc1CC)C1CCC1	2256141483	HTVVJKNBOAHXEG-HNNXBMFYSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@]23CCC[C@@H]2CC3)C1	2260515435	HAVNSELZSOCGPZ-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2260675009	XBIYIHAQAOBZIJ-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)[C@@H](C)CC1CC1	2298916021	LGTGHLAIDZOMTB-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCC1(CNCC(C)C)CCCC1	2300860206	DTZPUCIAIZECSZ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1(C(C)C)CC1	2300872653	RQEMBIOWOLVCBH-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)CNCCC(C)(C)[C@H](C)[C@H](C)C(C)C	2301830962	AMRDVVSETHQHRN-HUUCEWRRSA-N	241.463	4.577	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)n1ccc2ccc(F)cc21	2301834483	ZCVOPVIXOUXMPF-NWDGAFQWSA-N	233.330	4.634	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H](C)[C@H](C)C(C)C	2301844810	SXJBVOPICMHSHR-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(O)C[C@H]1CCC=CCCC1	2301896511	IZRLWGAOGKIPTN-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CC[C@@H](C[C@](C)(N)CC2CCCC2)C1	2302900623	FAIUGXSIZGFRFD-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](N[C@@H]1CCC(C)=C(C)C1)c1ccsc1	2303456062	GUNBCQQMCDRSLD-CABCVRRESA-N	249.423	4.678	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@@H](CC1CC1)C1CC1	2303830834	ZSBZNWPZSFBJSP-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1c1nc([C@H]2CC23CCC3)cs1	2304508008	IWARCXQUHBIYDH-GHMZBOCLSA-N	247.407	4.704	0	10	BJAE	
CC(C)=CCCc1cccc(CC(F)(F)F)c1	2307578277	XRWLVDBORPMGCP-UHFFFAOYSA-N	242.284	4.690	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(CNC)C1CCCC1	2307841194	INKPDANUHRSODI-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)c1ccoc1	2307908925	IUMAPMOWDXYBJO-ZFWWWQNUSA-N	237.387	4.537	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)C[C@@]12CCC[C@@H]1CC2	2313349382	WVSOMRPPBKTJSQ-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CCN(C)C1CCC(C2CCC2)CC1	2316506978	VGPUGPZGFVQGSW-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CC(=CCC(N)(C1CC1)C1CC1)CCCC(C)C	2316536221	LQGGPHDLWDIHNO-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
C1CCCC(C[C@H]2CCC[C@@H]2CNC2CC2)CC1	2316997908	FCYPUTSRJFTKDA-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)CCCc1ccccc1	2317914009	YHNWJOHLAGCSFI-GJZGRUSLSA-N	246.394	4.507	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1C[C@@H]2CC[C@@H]2C1	2317929648	ZXLCVHOSWYFNKT-DABQJJPHSA-N	247.357	4.550	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)c1ccc([C@@H]2C[C@H]2C)o1	2317992514	YMRMFSXPLFDFMD-MROQNXINSA-N	248.366	4.514	0	10	BJAE	
C[C@@](N)(CCCC1=CCCCC1)[C@H]1CC12CCC2	2318543351	YYGURYAGLVNJIG-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@@]12CCC[C@H]1CC2	2318580542	ZHQPTRTZWKDWGH-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC=CC12CC(CCN1)C2	2318783050	RCYYUOJGRSZGQU-GTPINHCMSA-N	249.442	4.537	0	10	BJAE	
C[C@]1(CCC[C@H]2CCCCC23CC3)CCCCN1	2318840966	IUBFTFXHOSTMPH-HZPDHXFCSA-N	249.442	4.659	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1CC[C@H]1C1CC1	2319592358	QZCSRLMVSRSUQY-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)CC1	2320234905	YQACCXYHVROVHG-PVTMVUMOSA-N	249.442	4.536	0	10	BJAE	
CCc1cccc(OC[C@H]2CC[C@@H]2C(C)(C)C)c1	2320255346	NIIVGHYXEZNPED-ZBFHGGJFSA-N	246.394	4.700	0	10	BJAE	
CC(C)c1cccc(C(=O)CCC2(F)CCC2)c1	2320567498	KQGDLEIAXPXHAE-UHFFFAOYSA-N	248.341	4.665	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H]2CCCC(=O)[C@H]2C)c1	2327782995	XLDPHJFKHCVJOC-ZFWWWQNUSA-N	244.378	4.591	0	10	BJAE	
CCCCCCc1ccc([C@@H](N)[C@H](C)CC)cc1	2327895420	CDLGFRIKQDUMGA-PBHICJAKSA-N	247.426	4.855	0	10	BJAE	
CCCCCC1(O)CCC(C(C)(C)C)CC1	5711645	HCKIMPHELHZKBW-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](C)Nc1cc(F)ccc1C	21010444	GZMWQKJTKRNSQI-GFCCVEGCSA-N	223.335	4.515	0	10	BJAE	
CCc1ccc(N[C@@H](C)c2ccccc2C)cc1	21510797	OGMKXFSZGIKWJP-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
Clc1ccc2c(c1)sc1ccccc12	32164986	OTHHPAMDVKDMFM-UHFFFAOYSA-N	218.708	4.708	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccc3ccccc3c2)C1	36951915	UFNDTEFHUFYDAM-CZUORRHYSA-N	239.362	4.830	0	10	BJAE	
Cc1ccccc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	37216388	QOHKANFHZFATRQ-ARFHVFGLSA-N	243.394	4.766	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@H](C)C1CCCCC1	37220832	AERSRJUXXCVCKG-HUUCEWRRSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H](N[C@H](C)c1ccc(C(C)C)cc1)C(C)C	37295349	FBRNQOHDMNQYEA-RHSMWYFYSA-N	247.426	4.895	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)c1cc(C)ccc1C	37313315	ABCWVTCRFKMFRY-LSDHHAIUSA-N	233.399	4.533	0	10	BJAE	
Nc1cccc(-c2ccccc2-c2ccccc2)c1	39251540	BBKKICMAKWTTKA-UHFFFAOYSA-N	245.325	4.603	0	10	BJAE	
CC[C@H](Nc1cccc(SC)c1)c1ccco1	54082485	BQDNAUQTRYFEEP-ZDUSSCGKSA-N	247.363	4.565	0	10	BJAE	
CCCC[C@H](NC(C)C)c1cccc(Cl)c1	86322450	VGTXVWTWKDSYNA-AWEZNQCLSA-N	239.790	4.569	0	10	BJAE	
CC1(C)CCC[C@@H](NCC2CCCCC2)CC1	86897528	JJHBBQYPSPZTOT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(Sc2cc(C)ccc2N)CC1	91933214	OVIJAIRFXWZKPA-UHFFFAOYSA-N	249.423	4.638	0	10	BJAE	
CCCCCC[C@H](NC)c1c(C)cc(C)cc1C	97468212	RCFVFQUEVHWSQF-INIZCTEOSA-N	247.426	4.843	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)c1ccc(CC)cc1	103935284	OMVHFQWWVOCVSA-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CCC(=O)[C@H](c1c(C)c(C)cc(C)c1C)C(C)C	107657712	FQKKPBAPAVDTLP-MRXNPFEDSA-N	246.394	4.639	0	10	BJAE	
CCCC[C@@H](N[C@H](C)C(C)(C)C)c1ccccc1	122581352	KUJAYTPWZXQVSS-GDBMZVCRSA-N	247.426	4.942	0	10	BJAE	
CCC1CCC([C@@H](O)C[C@H](C)C(C)(C)C)CC1	125520221	IGZNUOGMLPANLI-PPWQZUPISA-N	240.431	4.636	0	10	BJAE	
Clc1cccc2c1ccn2C1CCCCC1	129746994	HADPBUNENRECKE-UHFFFAOYSA-N	233.742	4.800	0	10	BJAE	
CCCCc1ccc2oc([C@H](O)CCC)cc2c1	130387253	KWJUYKCQDQZTTD-CQSZACIVSA-N	246.350	4.609	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC1CC1)NCCC	149186217	GWAGRPFDYSZVOL-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccccc1C(C)C	163742611	YALGQVFRCKQEOW-DZGCQCFKSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C1(CC)CCCC1	167155278	FDCVDLZUFZGQFS-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@H](NC)C1CCC(C)CC1	167860057	RSMXFYUDKDFDON-BCLQGDPASA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)c1cccc(C2CCC2)c1	168760964	DIBVGWQDNYQQFI-KRWDZBQOSA-N	246.394	4.958	0	10	BJAE	
C[C@@H]1[C@H]2CCCC(C)(C)[C@@H]2CCC1(C)C	196119720	GXKYYOMGGFWFAS-JHJVBQTASA-N	208.389	4.885	0	10	BJAE	
CCCc1ccc([C@H](N)C(CCC)CCC)cc1	211872250	VNWXHKUHCQGKHR-QGZVFWFLSA-N	247.426	4.855	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCC[C@@H]1C(C)C	214917649	PPOHFMLMRQXLPU-HZPDHXFCSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H]1CCC[C@@H](CC)C1	219902937	HGZBGWWOTKJSIY-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)[C@H]1CCCC[C@H]1CC	227022429	CPCXZMPUZSOOCK-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C1CCCCCC1	229145979	ZMENNHJCTHNAJI-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H]1CCC12CCCCC2	230170965	SKBIVEZVFZGDAQ-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](O)(C2CCCCC2)C1	230784157	MMWRDHHARWZHIT-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCc1cccc([C@@H](N)C2(C)CCCCC2)c1	233403539	IPHFFXMIFGABQV-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCCC1	250919008	ZOXJDKDFAQXUTQ-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	252609802	UFTSOWACUHBKRT-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](C)[C@H](O)c2ccccc2)C1	252907935	XJODOGITTVZACA-FSDCSDTHSA-N	246.394	4.573	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@H](C)CCC	253048708	RXQXIZKXSVXBHU-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
Cc1c(Cl)n(C(C)C)c2c(Cl)cccc12	258096544	XTNKNOVPLYYKOQ-UHFFFAOYSA-N	242.149	4.837	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)C1C(C)(C)C1(C)C	300132536	GLAIQFFVHHWHHT-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1/C=C/CCCCC1	302548254	ZPMCNBYUWYRMET-GNAVJYDXSA-N	237.431	4.680	0	10	BJAE	
CCC(=O)c1cccc(C2=CCCCCC2)c1	304586696	RLWLDTUMNZBDKY-UHFFFAOYSA-N	228.335	4.627	0	10	BJAE	
CSc1cc(Cl)c2sc(C)cc2c1	306861305	HAPFQODIQZGPRD-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2[C@H]3CCCC[C@H]32)CC1	310948095	LHZSTJQDNKWWCR-ALYAQQCSSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@@H](CC)C1CCC1)C1CCCC1	313446308	RAPVGXCQLOTWIW-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@](O)(CCC1CCCC1)C1CCCC1	313463350	JMGZXUJTIZWDQN-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCNC[C@]1(CCCC(C)C)CCCC[C@@H]1C	317381782	HLUZLFHNCBXGRG-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](Nc1ccc2ccccc2c1)[C@@H]1C[C@@H]1C	322067500	RXYFSQCBTRGBGD-VUCTXSBTSA-N	239.362	4.686	0	10	BJAE	
CN[C@H](CC/C=C/c1ccccc1)CCC(C)C	324354979	ZYRCTDNEWJWEET-VDZSZVPASA-N	245.410	4.504	0	10	BJAE	
C1=C(CN[C@@H]2CCCCC23CCCC3)CCCC1	379575927	YPFNWVLOCYZQJN-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H]2CCc3cc(N)ccc32)C1	380773135	UDNDDYJEVQZGQQ-IOASZLSFSA-N	243.394	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](n2ccc3ccc(F)cc32)C1	382907082	VTMNVOYSJGJPFD-RISCZKNCSA-N	231.314	4.532	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCCC12CCCC2	383107505	DMHVDWKAPIHSLI-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CCC(C)(C)C	383199443	YSIYCDQSZYBXTO-CQSZACIVSA-N	227.436	4.747	0	10	BJAE	
CCSc1ccc(C(=O)CC2(C)CCC2)cc1	383391002	AMANYTVKFSBVIY-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
Cc1ccc(F)c(C(=O)CCC2=CCCCC2)c1	384835149	GNPJSFMGHYGYQW-UHFFFAOYSA-N	246.325	4.597	0	10	BJAE	
CC(C)NC[C@H]1CCC[C@H]1CCC1=CCCCC1	385003445	WEOVUMPORWLABS-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
C1CCCC([C@H]2NCC23CCCCCC3)CCC1	385661628	CGMGPOQOHZZWOC-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H](NCC1(C)CCCC1)C1CCCCC1	393838944	QQKGDUWTULEVBJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCNCC1(C[C@H](C)CC(C)C)CCCC1	393911781	PTFBLLLSYHDKJY-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCOc1c(C)ccc2cc(C(F)F)sc12	396239006	JSIXMEOLKDMHSM-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCC1CCC1)NCC	398932610	RGPBZIHZUUNQKW-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)c1csc(C)c1C	399860118	COSWWPRIOZAVEP-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
O=C(CC1=CCCC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	401051054	WMUDLMIRRONEFV-OWCLPIDISA-N	246.394	4.662	0	10	BJAE	
CCCCCC[C@@](C)(CNCC)c1ccccc1	405703410	ZRTCEIUZMUTUES-KRWDZBQOSA-N	247.426	4.524	0	10	BJAE	
CN[C@@H](CC(C)(C)C1CC1)C1=CCCCCCC1	405731197	RZMGHMBKAPPTOY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC1(CN[C@H](c2ccccc2)C(C)(C)C)CC1	687538380	FTVMFWMVNALCAE-OAHLLOKOSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](O)CCCC1CCC1	688423452	SMSMHBGMXQHWMH-IRXDYDNUSA-N	246.394	4.512	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CCC[C@@H]2CC)c1	689611043	JMOVHXBPIKIJSA-GOEBONIOSA-N	245.410	4.802	0	10	BJAE	
CCCc1cc2cc(C3CC3)ccc2nc1Cl	690305104	SFYHASHBXTXDFH-UHFFFAOYSA-N	245.753	4.718	0	10	BJAE	
CC(C)CCCC/C=C1/[C@@H]2CCCN[C@@H]2C1(C)C	693677821	WFSFZANQHIFJNK-QMWGHWJFSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)[C@H]1CCCC2(CC2)C1	695987455	XYCKVLDZWFSDNQ-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1cccc2ccccc12	696175814	DXSYKWGKNGPOKR-INIZCTEOSA-N	241.378	4.666	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1CCCCC1(F)F	697203146	BTELAABMWKRAJS-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CCC1CCCC1	697755633	KLAWMZJYQKAJSV-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CCC=C(C)C)NC	697810603	OWHIDGZXRYWEAT-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCC[C@H](NC[C@@]1(C)CC1(C)C)c1ccccc1	701987470	RBDCSLKVSYRAQF-DOTOQJQBSA-N	245.410	4.554	0	10	BJAE	
CCC[C@](N)(C[C@@H](C)CC(C)C)C1CCCC1	704960511	YWLIWNSXSZZXPW-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(N)[C@@]23CCCC[C@@H]2C3)C1	709270844	BTTVGYMMDFORHQ-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C[C@@H](N)c1ccc(C)c(C)c1)C(C)(C)C	711053330	MFDIOGNVQZAFES-HZPDHXFCSA-N	247.426	4.766	0	10	BJAE	
CC[C@@H](C[C@H](N)CC1CCCCC1)C(C)(C)C	711110722	HUBWLPQAQOBGAR-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CCCC1CCC1	711169014	JSZUJWANNBTXEO-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CCNC[C@@H](C[C@H](C)CC)C1CCCCCC1	711290968	AMNZKWJKSPRFKU-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C1CCCC(CCN[C@@H]2C[C@H]3CCCC[C@@H]32)CC1	712519503	RWEVQFSVRMQXNU-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)CCC1CCCC1	713042792	JLRXPWUPCYMLSW-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CC1CCCCCC1	713182510	KIJUEHLXNITHQI-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC/C=C/C[C@@H](C)c1ccc(F)c(C)c1	714551336	BRRJAKCBGJPYBL-MVIFTORASA-N	206.304	4.594	0	10	BJAE	
O=C(CCC1CCCCC1)CC[C@@H]1C[C@@H]1C1CC1	714896718	RHHMEIYSVOABJV-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1NC1CCC2(CC1)CC2	717484563	CMPQVZLTSAJUBM-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCC(C)=C(C)C)NC	718604254	ULXNOZQXGLNVRI-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCC(C)(C)C[C@@H]1C	1308921136	HPVLFOUZZQUYAA-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C/C(=C/Cl)CSC/C=C\c1ccccc1	1459050736	HCIZWJHQBZMNIH-TVYVFBHLSA-N	238.783	4.576	0	10	BJAE	
C/C=C/CCCN(Cc1ccccc1)CC(C)C	1880242311	CNTOFILKYOCBKK-SNAWJCMRSA-N	245.410	4.501	0	10	BJAE	
CCCC(=O)CCC=C(C)CCCC(C)C	1900865250	BGRXZLFTFNYGKH-UHFFFAOYSA-N	224.388	4.908	0	10	BJAE	
CCCN[C@@H](CCC)CCCC=C(C)CC	1900873125	CKHRFGKZFKIMIE-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
Cc1cc(-c2cccc(C3(C)CC3)c2)cs1	1901893935	AWZOOUWDVHMYPA-UHFFFAOYSA-N	228.360	4.775	0	10	BJAE	
CC[C@H](c1nc([C@@H]2CC2(C)C)cs1)C(C)C	1901913217	XGVZTSBCCXEUKL-QWRGUYRKSA-N	237.412	4.806	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CC(C)(C)C)NCC	1905433378	GOELULXTGLNNQQ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@H]1CCCC(C)(C)C1	1910808996	FHKHOINKFFCUJC-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C=C(CN)C1CCCCC1)C1CCCCC1	1911856341	VPUXSZZPTUJNBI-CQSZACIVSA-N	249.442	4.668	0	10	BJAE	
CCC=CC[C@H](C)c1cc(C)ccc1C	1911869558	IERUVTRANXWWCW-ZDUSSCGKSA-N	202.341	4.763	0	10	BJAE	
CCC[C@@H](C)[C@@H](CCC=Cc1ccccc1)NC	1912104261	XTGOQJBXHOSFDU-NVXWUHKLSA-N	245.410	4.504	0	10	BJAE	
CC(C)CCC[C@H](N)C1CC2(CCCCC2)C1	1912630035	HATNRXORGPJXGI-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1CC1=CCCC1	1913417583	ZXNFKAVPQRUXQL-OAHLLOKOSA-N	234.383	4.807	0	10	BJAE	
CCN[C@H](C)c1ccc(C2C(C)(C)C2(C)C)cc1	1917173607	HKPZQUMIWCXOPG-GFCCVEGCSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1CC2CCC1CC2	1919511900	VRKZRYFGTFOTFL-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CCCCCCC1(CNCC)CC(CCC)C1	1921207702	XBOSASXBJFWWEI-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@H](CC)CC1C[C@@H]2CCC[C@H](C1)N2	1922309425	FDGOJGDNORDETE-HNSVSWJLSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(NC2C[C@H]3CCC[C@H](C2)C3)c(C)c1	1923466094	SIUJHJPUOQFESE-GJZGRUSLSA-N	243.394	4.684	0	10	BJAE	
CC(C)(C)CCC=C1[C@@H](CN)CCCC12CCC2	1924840257	VNYCVYYAMYEHCE-CQSZACIVSA-N	249.442	4.668	0	10	BJAE	
CCN[C@H](CCCC1CCC1)CC(CC)CC	1926168670	FLINXEYGPRCYMT-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H](C)CCC(C)C	1926189700	QZZUBBNFGIXSKX-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CC(C)=CCCc1cc(C)cc(Cl)c1	1935045397	ZQLVMKSRYFABMO-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
Cc1csc(C(=O)[C@@H](CC(C)C)C(C)C)c1	1939456863	URTYBHZWNFILRW-LBPRGKRZSA-N	238.396	4.558	0	10	BJAE	
c1cc2cc(N[C@@H]3C[C@H]4CCC[C@H]43)ccc2s1	1940414672	UQEVPKMLNWNUTG-LERXQTSPSA-N	243.375	4.502	0	10	BJAE	
CC1(C)CC(C)([C@H](O)CCCCCC2CC2)C1	1941981990	MKVTUABQHJHOAD-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC[C@H]1C(C)C	1947462741	MZDQHUMJEJGMSO-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C(C)C)C1CCCCCCCCC1	1947879111	NQLOXLSNNPTEAB-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCc1cscc1C(=O)CC1CCC=CCC1	1948005187	SCUSWRWAMZKMGZ-UHFFFAOYSA-N	248.391	4.630	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](C)[C@@H](C)CC(C)C	1948331512	GQZDLNONPHPFTP-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@H]1CCC[C@H](C)C1	1948933027	SCJBDZKPFIFQFG-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CC1([C@@H](N)CC2CCCCC2)CCCCCC1	1948980963	HOMAPGLZMSTFEP-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
C=CC=CCC[C@H](N)c1ccc(C(C)(C)C)s1	1949010045	GZGOQXMCQOAHJM-LBPRGKRZSA-N	249.423	4.568	0	10	BJAE	
CCC[C@H](C(=O)CC1CC2(CCC2)C1)C(C)C	1949839886	DDWTVULMMQLHLK-AWEZNQCLSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC(C)C)CCC[C@H](C)CC1	1950923421	GQOVWRDPXCSIKL-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CCC[C@@H](C)CC1	1950929591	IIQROBJWNPVXID-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CC=C[C@@H](C)Cc1cc(C)ccc1OCCC	1951308319	DVZZJJOSRCOSQW-CYBMUJFWSA-N	232.367	4.539	0	10	BJAE	
CCC(CC)CC(=O)C(CC)(CC)CC	1959914478	LEFIUHPJBFSWSM-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCCC[C@@H](C)NCc1cccc(C(C)(C)C)c1	1968585730	LEEDVKNTXBCUOE-CQSZACIVSA-N	247.426	4.652	0	10	BJAE	
Cc1cc(N[C@@H]2CCCCC23CCC3)ccc1F	1968591620	LKGBQJBSFZADAM-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CCOc1cccc(N[C@H](C)CCCC(C)C)c1	1968622143	BNXJGBLETHEESH-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
C[C@@H](CC1CC1)N[C@H]1CCCC2(CCCCC2)C1	1970520265	INBVFQVZWAUMAR-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC[C@H]1CCCCC12CCC2	1971304576	IKRVUFXWGIROIJ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(NC[C@H]2CCCC3(CC3)C2)C1	1972181050	CKEGDSSLGIIAIR-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(CN[C@H]2CCCCC23CCC3)CC1	1972829428	KDTJOGIFCJNHRB-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
c1ccc2sc(CNc3ccsc3)cc2c1	1978810510	LBZDKHWEWFQQRD-UHFFFAOYSA-N	245.372	4.575	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCCCC[C@@H]1O	1980333747	HKPIJMHNNZGUBP-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1c(F)cccc1Cl	1989824726	SDKOVHDNDKAGIK-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
Cc1cc(C)c(C)c(CC[C@@H]2C=CCC2)c1	1994009872	YVWPORZABXDSPA-OAHLLOKOSA-N	214.352	4.511	0	10	BJAE	
CCC[C@H](N)CCC[C@H]1CCCC(C)(C)C1	1994025557	IHAMSIXYFPPCRT-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NCCC)C(C)C	1995202915	ICUGIPDAHNXODH-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@H]1CC[C@H](C)C1	1996261411	VVZLZVWPYCEDQQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@](C)(O)CCC1CC1)C1CCCCC1	1996370552	YSWFXLDCIRMLDC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCSc1ccccc1NC[C@@H]1CC1(C)C	1996563291	CYPRPANFHOZBDH-LBPRGKRZSA-N	249.423	4.647	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](C)(N)C1CCC(C)CC1	1996594288	KWTLUZYJCOFPRF-KNIAUWFNSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1CCCC(F)(F)C1	1996601883	AEIXUGGQJMWBPB-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1CC(C)=C[C@@H](C)C1	2000366029	VXFMFCXLKLXMOB-KBMXLJTQSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1[C@H]2CCCC[C@H]21	2002153988	XHQXGYHLSOZPJQ-MIFYACCESA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@@]1(C)C=CCCC1	2003320581	IIJLNOKYYXIKKS-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
N[C@H](CC[C@@H]1CCC=CCCC1)c1cccs1	2003686829	YTXRYXLQLRIBGY-ZIAGYGMSSA-N	249.423	4.665	0	10	BJAE	
CCC[C@@H](NCC)C1CCC(CC)(CC)CC1	2004337304	PVCGFIHEIPWYJV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H]1C[C@@H](CCCCCC(C)C)CC[C@@H]1C	2006949616	UXLDOEIONYTMDD-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C1(C)CCC(C)(C)CC1	2007683991	XKXPEVIPBYEIPJ-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCCCc1ccc(NCCC2(C)CC2)cc1	2009534880	JVPKLSROSVTXIM-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)CCC1(C)CC1	2009537141	VSIKRGRNFQBCHY-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC1(CC[C@@H](O)C(C)(C)C2CCCCC2)CC1	2009540004	IZWQRIATIYHEOB-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@@](C)(CCCC)CNCCC	2009625905	CYBAREDDSDEGRG-CDVVCGDMSA-N	239.447	4.929	0	10	BJAE	
CC=CCCC[C@@H](CCCC1CC1)NCCC	2009627891	LQZUBXCMDFWCQP-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@H](O)C1=CC[C@@H](C(C)(C)C)CC1	2010719738	GKDPBKLIVYTJGY-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
C[C@H](C[C@@]1(O)CCCCCC12CC2)C(C)(C)C	2011278313	RVYNXEPOYFREBS-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCCC(=O)c1scc2c1CCCC2	2013961151	LRWHPBVPHJDTCF-UHFFFAOYSA-N	248.391	4.556	0	10	BJAE	
Cc1c([C@@H](N)CC(C)(C)C)sc2ccccc12	2014291301	KRLLBTCCTSEZOK-LBPRGKRZSA-N	247.407	4.646	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@H](C)C(C)C	2015272116	BXNBIUGGABQZNA-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCC1(C(=O)CC(C(C)C)C(C)C)CCC1	2015388700	WVCPYVCHHWPAPC-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCC1(C[C@](O)(CCC)C2CCC2)CCC1	2015636579	ZNVSRCHFFORSCJ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@H]1CCCCCCCCC1=O	2016425329	WASNAXMBMCNMBV-IIAWOOMASA-N	236.399	4.742	0	10	BJAE	
CC(C)N[C@@H](C)[C@H](C)CC1(C(C)(C)C)CCC1	2017146532	UIHMEKYGEBUXMW-KGLIPLIRSA-N	239.447	4.616	0	10	BJAE	
CCC1(C[C@]2(O)CCC[C@@H](C(C)C)CC2)CC1	2018967290	KALZJYRHBIIPKZ-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H]2CCCCCCC[C@@H]2O)CC1	2018977747	QFQILBOQTSOUNL-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCCC1([C@H](CC2(CC)CC2)NCC)CCC1	2018994221	KGRJYQBAJHCCAB-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC=C(CC)[C@]1(O)CCC[C@@H](C(C)(C)C)CC1	2020973864	KBTKQDPEHCRCEU-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCC[C@@H]2CCCC[C@@H]21	2022991364	JDPUUJQWEYJFKE-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
C[C@H]([C@@H](O)C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2024129590	WQCKBROLYUMGHV-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2C[C@H]3CCC[C@H]2C3)c1	2026240841	LSSABOZAGDNCRG-SGMGOOAPSA-N	249.785	4.639	0	10	BJAE	
CC1(CNC2(C3CCCCC3)CC2)CCCCC1	2027373884	MHCALHBUTPPNDU-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCCC[C@](C)(O)Cc1ccccc1C(C)C	2027463367	OULXTKSNRVXCJY-KRWDZBQOSA-N	248.410	4.684	0	10	BJAE	
CCc1cc(NCCC[C@H]2CC2(C)C)ccc1C	2027821996	OCGFRJCMWMUMLF-HNNXBMFYSA-N	245.410	4.796	0	10	BJAE	
CC1(CCCC(=O)C(C)(C)c2ccccc2)CC1	2027842779	LJDCXECRWRYWKW-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCc1ccccc1[C@H](O)CCC(C)=C(C)C	2027896757	FIRHYVCPNZMOKF-QGZVFWFLSA-N	246.394	4.809	0	10	BJAE	
CC(=CC1CCC(C)(C)CC1)c1ccc(N)cc1	2027943185	XYCBPNATRQFNPB-UHFFFAOYSA-N	243.394	4.889	0	10	BJAE	
N[C@@H](CC1CCC=CCC1)CC1CCCCCC1	2028873024	QQFJAFPWBRNQQT-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1C[C@@H]1C(=O)c1ccc(C2CCCC2)cc1	2031746024	JXXITTVFGXOKCI-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@@]12CCCC[C@H]1CCC2	2031763030	ZWKPFYIIUIEUOF-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
C[C@H](Nc1cccc(C2(C)CC2)c1)[C@H]1CC1(C)C	2032248393	YCWWGINFJGQKBI-SWLSCSKDSA-N	243.394	4.585	0	10	BJAE	
CCCN[C@H](C1=CCCC1)C1C[C@H](C)C[C@@H](C)C1	2033817284	ZDCJWMDWVWGPMW-CKEIUWERSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CC[C@H](C)[C@H]2C(C)C)c1	2035406261	APQDMJZHKRWOQW-JGGQBBKZSA-N	249.373	4.617	0	10	BJAE	
C1CCCC(CNC[C@@H]2CC23CCCC3)CCC1	2036132894	BSISHPPMDRPSBX-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CCCC1(CN[C@@H]2C[C@H]3CCCC[C@]3(C)C2)CC1	2036669001	WHICOBBMFQRQAS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@@H](N)c2cc(C)c(C)cc2C)CCC1	2037086724	QRIAMPGHCIATEF-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1CC1CCCCC1	2037221886	ATVFEUXCUMAJHQ-CZUORRHYSA-N	243.394	4.802	0	10	BJAE	
C[C@@](N)(C1CCCCC1)[C@@H]1CCC2(CCCC2)C1	2037591039	ZIWCXZOPJNQOAL-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CC1CC2(CCC2)C1)C1CCCCCC1	2037974698	OMIJWRRSUKSNTE-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(CC2CC3(CCC3)C2)C1	2038089845	LAIQWJJWGYVDMQ-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@H]1C=CCCCC1	2039042680	XBXIQCUKFNUQMC-ULQDDVLXSA-N	249.442	4.680	0	10	BJAE	
CCC(C)(C)CCNC1CC2(C1)CC1(CCC1)C2	2039460278	NXFPPDNWWFOGSN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)CC[C@H]2C[C@H]2C2CC2)CCCCC1	2039849584	MKVUBFWQCYTGFW-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C[C@@H]2CC=CCC2)CC1	2040644146	KJWJRTSYFKGIOU-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CCCc1ccc([C@H](NC)C(C)(C)CCC)cc1	2040724711	YMPGESVYTJDKCJ-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CC[C@@H]1[C@]1(N)CCCC2(CCCCC2)C1	2040767846	YATUFQGCGPCDDH-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](NC[C@@H]1CCC=CCCC1)C1CC(C)(C)C1	2045333210	XDQMLMALNJIUQO-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(=O)c1ccc([C@@H]2C[C@H]2C)o1)C(C)(C)C	2045557829	VPBXMRZYJZEEPB-GRYCIOLGSA-N	248.366	4.658	0	10	BJAE	
C[C@H]1CC[C@H](CC2(N)CC3(CCCCCC3)C2)C1	2046233603	QARGSHBBHCHBOW-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@@H]1CC12CCCCC2	2047061080	CCGDHKGJPQUIDD-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C[C@@H]1CCC12CCC2	2047929497	RGDIGRGCPXWUIN-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1[C@H]2CCCCC[C@H]12	2048364649	AKQHYYCXFTZGFC-ILXRZTDVSA-N	246.394	4.518	0	10	BJAE	
C[C@@H](N[C@H]1[C@H]2CCCCC[C@H]21)C1(C)CCCCC1	2048385541	LGKKETVHWKNNAJ-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
N[C@H](CC[C@@H]1[C@H]2CCCCC[C@H]21)CC1CCCC1	2048488697	ODWNRNWFNVTRTR-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H]1CCCC(C)(C)C1	2049500548	FHSTXJXUJKCHRT-HOTGVXAUSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)NC[C@@]2(C)CC=CCC2)C1	2049542265	CHVAYALXMQIDAV-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CCC([C@@H](N)c2ccco2)CC1	2049636802	OYQZWJDIZHCQMY-ZBCRRDGASA-N	249.398	4.666	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)CC1CCC2(CC1)CC2	2049849391	PYSADWBTBCYUEW-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2051611434	DWGZOWKFKJKEDH-BKYIEACKSA-N	249.442	4.501	0	10	BJAE	
O=C(C1CCCCCC1)[C@@H]1CCCCC12CCC2	2053358370	KNRILJZORFCGJJ-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](c2ccccc2C(C)C)C1	2055140529	XYUQSLURENZQGE-KGLIPLIRSA-N	244.378	4.673	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1ccc(CF)cc1	2055671134	FBMLJDWSACTHFF-XJKSGUPXSA-N	247.357	4.560	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2(C3CC3)CCCC2)C1	2057606139	KCKQAFHUSQPOEX-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCC(C)(C)C[C@@H]2C)CC1	2061114361	XTJHECVJAASXPN-VBQJREDUSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(N)[C@H]2CCC[C@@H](C)C2)CC1	2061117491	ZFGOHFXTHRXIOP-TXCZRRACSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)CCC2CCCC2)CC1	2061150421	KYLYVHSBRYWXDN-DOTOQJQBSA-N	249.442	4.667	0	10	BJAE	
CCCc1ccccc1NCC[C@]12CCC[C@H]1C2	2061570942	GYDVZMVCZJOABT-RDJZCZTQSA-N	243.394	4.631	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@]23CCC[C@H]2C3)cc1	2061604037	XFQMNCWXRJNDSF-DOTOQJQBSA-N	242.362	4.573	0	10	BJAE	
CC[C@](N)(CC[C@]12CCC[C@@H]1C2)C1CCCCC1	2061618362	UQSOVTXEMRMYMB-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(CN)(CC[C@@]23CCC[C@@H]2C3)CC1	2061622453	LWCODIMGIXGMRG-MNAZLIDISA-N	249.442	4.502	0	10	BJAE	
CCC(CC)(CC)c1nc2ccc(C)c(C)c2[nH]1	2061872230	ZQZHITGOQIYHRV-UHFFFAOYSA-N	244.382	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCCCCC23CC3)C1	2062020817	PZYLJKJUBAVLNC-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)CCCCC12CCCC2	2062645816	IEKNAMREHJKXQD-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC2(CC(C[C@@](C)(N)C3(C)CCC3)C2)C1	2063207509	HBVWSXUDXCMAIC-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1C[C@H]2CCC[C@@H]2C1)C1CCCCCC1	2063490626	MSCYDUFYIFMAEF-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](NCC)C1CC2(C1)CC21CC1	2064002563	NVVWLAFLHIFVBD-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N[C@H](C)C2CC3(CC3)C2)C1	2064494965	VQWNUEXASHHALU-VQCLRJIVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H](C)C1CC2(CC2)C1	2064495013	WAYXBZNIKDVWKO-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@@H]1CCC1(C)C	2068247844	ZXRROSLRYRJLBS-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@H](NC[C@@H]1CCC=CCCC1)[C@@H]1CCC1(C)C	2068336013	AKHZYJBNXLQSPC-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C(=O)C[C@@H](C)C2CCCCC2)oc1C	2068908208	RASMSQFMWIPYFO-GFCCVEGCSA-N	248.366	4.686	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H](C)C[C@H](C)C(C)C	2069008075	DYWOUPZHHIPOGA-UXLLHSPISA-N	247.426	4.656	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](C[C@@H]2CC23CCC3)C1	2069173351	FLIFDLQSMKPYEI-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H]2[C@H](CN)CCC23CCC3)CCC1	2069342062	LNAABPIVQHIZQR-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
C1CCCCC(N[C@H]2CC[C@H]3C[C@@H]2C3)CCCC1	2069353053	ISOPDKFBHQDZLY-UXLLHSPISA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CC[C@H]1C1CC1	2071797497	HQKCZTIHDNECEJ-DZGCQCFKSA-N	243.394	4.585	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CC1(C(C)C)CCC1	2071941939	YVJYSTCZPNAWAB-XHSDSOJGSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@H]2CCCCCC23CC3)CC1	2072660583	IWTNOIYYELEEDS-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H]2CCC23CCC3)CC1	2072696675	OEPPZRVGJIAPND-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)C2CCC3(CC2)CC3)CC1	2072798865	NPDAFZXRCYUAJO-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccccc1C1(C)CC1	2072824469	MMTLOZUNZOXBQI-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCc2ccoc21	2073340327	LQIQSHXUQQQENF-GJZGRUSLSA-N	249.398	4.606	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccccc1COC	2073345262	HJTGULXTBWKWHS-OAHLLOKOSA-N	249.398	4.604	0	10	BJAE	
CCC1(CC(=O)[C@@H]2C[C@H]3CCCCCC[C@H]32)CC1	2074591444	QHNVYKWHGJAWNZ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@H](O)C[C@H](C)c2ccccc2)CC1	2074619226	NYOCWFINRGVUMB-HOCLYGCPSA-N	246.394	4.512	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@H]2CCCC23CCC3)CC1	2074633839	IXDYYMUTYPTHHK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](Nc1ccccc1C1CC1)C1CCC1	2077261894	HKKCEDFASGUVQQ-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](NC)c1ccccc1C(C)C	2079433961	CVONUVUIUDURCN-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H]2C[C@H]2C2CCCCC2)N1	2079665240	JXVBPNSNEUJPHE-VQHPVUNQSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)C12CCCC1CCC2	2079851414	LASXKFURMNNIKF-XCCIUEIHSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@@H]2C2CCCC2)C1	2079851991	ODSFYNXZHOJWFD-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1[C@H](C)NCCC(C)(C)CC	2081209055	LUDFEVRLZHCAEH-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CCC1CC2(C1)CC1(CCC1)C2	2083613594	OHTAPQXTOCZGSK-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
Cc1c(N)ccc(-c2ccc3ccccc3c2)c1C	2098637344	DHYGEBIFIFGGGY-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C(C)(C)CCC	2212116261	FWNNRVPKRFBROL-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C(C)(C)CCC	2212118508	FNFQUDRQMHBOQN-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCC1(CN[C@H](C)CC)CCCCCC1	2212591312	CIGABYHAQFIJRT-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)CCC(C)C	2213574347	SBGHFTHNCGISNY-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C[C@H](C)CC	2214570141	QJCOJQXGLAXMOW-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC[C@@H]1C[C@@H]1CC	2215249319	IWDVMOXGPPMQLT-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@]1(C)CC=C(C)CC1	2215811496	CEJHWRJZEQFJMI-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@H](C)c2cccs2)CC1	2215824526	UGZUDWGFCUTVFT-UKRRQHHQSA-N	249.423	4.535	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC(C)C)[C@@H](C)CC(C)C	2217123926	CJHUMTXBHQXVRF-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
NC1(CC2C[C@H]3CCC[C@H](C2)C3)CCCCCC1	2218357499	RIISEQVIZANUEW-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC1(C)CC2(CCC2)C1	2220934276	AATBUPBWMIFQCO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C(=O)C2(C)CC3(CCC3)C2)CC1	2221001724	IXNABGXMFLJDKF-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(CN)CCCCC23CC3)C1	2221028500	QOZBXMGWLKRQMA-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
CC1(CC[C@]2(C)CNC(C)(C)C2)CC2(CCC2)C1	2221037170	VSAVAUFVIPPPJT-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@]1(C)CC=C(C)CC1	2221623853	MDXADYJGDUMASW-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCC[C@@H]2CC2(C)C)CC1	2221645383	XQUWIDDAJIQZEN-PBHICJAKSA-N	248.410	4.908	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@@H](C(C)(C)C)C1)C1CC=CC1	2222265964	LTEZQDRKLDQZRK-IMJJTQAJSA-N	249.442	4.536	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@@H](C)c1ccc(C)cc1	2223967923	IALKNVZBMNPDMS-ZOBUZTSGSA-N	247.426	4.513	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CCC[C@@H]1C[C@H]1C)N2	2224123344	BVZTVJNSVQUDFF-FMKPAKJESA-N	243.394	4.548	0	10	BJAE	
CCCC[C@@H](CCC1(C)CC(C)C1)NCCC	2246519877	RAESGZYIYUDPBT-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)[C@H](O)CC[C@H]1CCCCC12CC2	2246628829	AQQZBYGQAJAENL-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](O)CC[C@H]1CCCCC12CC2	2246630834	RACKNMDAZJRUEK-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](C)(O)CCC2CC2)C1	2246695897	VSJFEFZVMGPPDC-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC(C)(C)NCC[C@H]1CCC[C@@H](C)C1	2246697046	ZZFQBUSSZCMSIL-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@H]1CCC(C)(C)C1	2247168259	ZZRBLSFQBHDHFG-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
O=C(CCCc1cccs1)CC1=CCCCC1	2247462650	OLZVQYMVBILHTK-UHFFFAOYSA-N	248.391	4.530	0	10	BJAE	
CCC(=O)c1ccc(-c2sccc2CC)cc1	2248051922	OCHOHWZCBGTZGS-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CCCC[C@H](CCCCCC[C@H]1C[C@@H]1C)NC	2248809435	RTSGVTYRPJMUKI-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)[C@H](CC)CCC	2250359047	QDPJRIBCULJYEY-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](CO)C1CCC1	2250517698	FCTFUQITPAKHJV-GOEBONIOSA-N	240.431	4.638	0	10	BJAE	
CCCCN(CC1(C)CC(C)C1)c1ccccc1	2253761366	WEBXIZZEGUTFPL-UHFFFAOYSA-N	245.410	4.729	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)C1)[C@]1(C)C=CCC1	2253771728	LZGHCJMNSGJCND-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)C[C@H]1CCCCC12CC2	2253833581	QVDLFQNXKDCAAE-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@](N)(CC[C@@H]2CCC[C@H](C)C2)CCC1	2253918147	OVXINORUXRPUMZ-RRQGHBQHSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C1(CC2CC2)CCC1	2254521086	JYTZWZPSBQDIHU-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)[C@@H]1CCCC12CCC2	2254547097	ZTQDISDTKQKSCL-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)cc(C(=O)CCCC[C@H]2C[C@H]2C)c1	2254606234	FHELUHKBSWRADR-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@H]2CCC23CCC3)CCC1	2254907412	IOPHGSQNXLETPB-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCCC12CC2)[C@@H]1CC1(C)C	2255334669	ZZKBKOVZPSAZCG-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNCC[C@@H]1CC=CCC1	2257318925	GHQDVJPNDGQYLQ-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](Nc1cc(C)c(C)c(C)c1)c1ccco1	2258234484	CNGJMWQOSZJURD-HNNXBMFYSA-N	243.350	4.768	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cccc2ccccc12	2259438781	RCHXFIKTTPDUOA-ZDUSSCGKSA-N	240.346	4.849	0	10	BJAE	
N[C@H](C[C@]12CCC[C@H]1CC2)C1CCCCCCC1	2260587901	PKWRGLSQOSCXIH-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CCC[C@](N)(CC)c1cccc(C2CCCC2)c1	2260715949	KPUQAHTURLHMGG-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC[C@H]2C[C@H]2CC)C1	2298134900	OCTMMLLXROYSHI-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)[C@H](C)CC2CCC2)CC1	2298895237	FHGQSYBTKAKCSA-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CCCCC1CCC(N)([C@H](C)CC2CC2)CC1	2298906933	CZFINGJWLHJXPI-VQCLRJIVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H](C)CC1CCC1	2298907167	FTNIBZTYGBPPJN-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C)O[C@@](C)(O)CCCC(C)C	2300475960	RFIBRKGJKXDHRC-HUUCEWRRSA-N	244.419	4.507	0	10	BJAE	
CC(C)=C[C@](C)(N)CC=C(C)CCCC(C)C	2300875840	ZMHDSQCYLNVDJV-MRXNPFEDSA-N	237.431	4.833	0	10	BJAE	
CCC(C)(C)CCN(C)CC1CCCCCC1	2301145105	KWVPGKLXVBZCQP-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC1CCCCCC1	2301148078	QGPTXWXDHZDNJP-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](O)CCC[C@H]1C[C@H]2CCC[C@H]1CC2	2301238335	GCQOCPXVDXRDIZ-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Oc1cccc2sccc12	2301838972	GIAIUAFJIXXERM-RYUDHWBXSA-N	248.391	4.961	0	10	BJAE	
Cc1csc(C)c1[C@H](N)CCC1=CCCCC1	2301897251	PCLWYEWSVXGIJK-CQSZACIVSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cc(F)ccc1C(C)C	2301907673	LFNKCAFOFJOPTL-NEPJUHHUSA-N	237.362	4.796	0	10	BJAE	
CCSc1ccccc1N[C@@H]1CC(C)(C)[C@H]1C	2302138836	ILSIARXUVIEUIN-WCQYABFASA-N	249.423	4.645	0	10	BJAE	
COC(C)(C)c1coc2c1ccc1sccc12	2302187193	UTCCKSMYLFWUDT-UHFFFAOYSA-N	246.331	4.529	0	10	BJAE	
CCC(CC)(CC)NCCCC1=CCCCC1	2302330649	DRYGTVLEPPEOGS-UHFFFAOYSA-N	237.431	4.825	0	10	BJAE	
CC(C)C(CC(=O)CCC[C@@H]1C[C@@H]1C)C(C)C	2302607731	BMOFSOCEJNAADS-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2CCCCCC2)C1	2302872154	UGRDUWPSQMUQSM-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1CC[C@H]1C(C)(C)C	2303404478	PVLYTLLOOUXQBE-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CNC[C@@]1(CCCC(C)C)CCC(C)=C(C)C1	2303584062	OQXPCLQLVWLRGC-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC[C@@H]1C[C@H]1CC	2303607561	AJXUQQRQGHDSDO-BZUAXINKSA-N	239.447	4.713	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)CC[C@@H]1CCC(C)(C)C1	2304439861	MTIGGWUUNZXAJP-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CCNC2(CCCC2)C1	2307829775	WZLASSFGNSJOSV-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CC(C)(C)CC[C@H]1C	2307894453	RFESZCDNTDOIQQ-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@@H]2CCCCCC[C@@H]21)C1CC1	2309184598	ILZCWJHMOJDSIA-QAETUUGQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1C[C@H]1C1CCCCC1)C1CCC1	2311525328	LZYXLCQTIYZGGK-VBNZEHGJSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@]23CCCC[C@@H]2CC3)CC1	2313291094	PRRUBVFECXNMLC-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(C[C@@]12CCCC[C@@H]1CC2)[C@@H]1CC1(C)C	2313347619	ZALHDUHSEQHZMG-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H](CC)c1ccccc1	2316501920	IHPXADLIHTZQRI-IRXDYDNUSA-N	245.410	4.515	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1c(C)cccc1C	2316502691	LXSPCHHBBHJYFY-INIZCTEOSA-N	245.410	4.700	0	10	BJAE	
CC=CC[C@@H](C[C@@H](C)c1ccccc1)NCCC	2316504904	YWIQXKZXVBHSMJ-WBVHZDCISA-N	245.410	4.515	0	10	BJAE	
CC=CC[C@H](NCCC)c1ccc(C(C)C)cc1	2316507696	DICHCSVVPMJJOJ-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CCC(C)=CC[C@@H](C[C@@H](C)c1ccccc1)NC	2316510405	UTPJFLDJXXQYGG-WBVHZDCISA-N	245.410	4.515	0	10	BJAE	
CCC(C)=CC[C@@H](NC)c1ccc(C2CC2)cc1	2316510632	WDOGOHGSFYHTEB-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CN[C@H](CC[C@H](C)[C@@H](C)C(C)C)c1ccccc1	2317836544	VNUYLTBTFQMWEJ-YQQAZPJKSA-N	247.426	4.656	0	10	BJAE	
O=C(CCC1=CCCCC1)CC1CCC=CCC1	2317936854	RVXJNVIWHXPSBF-UHFFFAOYSA-N	246.394	4.973	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)CC[C@H]1C1CCC1	2318557737	OCDZWQGUBDIABT-IRXDYDNUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CCC[C@@H]1C[C@H]1C	2318928253	MTRLEOFETWWOFR-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC[C@H]2C[C@@H]21)C1CCCCCC1	2319251736	HHFVCVBQPOPHFW-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H]([C@H](N)CC[C@H]2CCCC23CC3)C1	2319308833	OASNNIYMHMTSQX-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCCC1(C(=O)CC[C@@H]2CC[C@H]2C2CC2)CCC1	2319728129	VQJRKDYUANNRQB-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCC[C@@H]1CC[C@H]1C1CC1)C1CCCCC1	2319747603	GNGYHWRSVDWEAC-KBRIMQKVSA-N	249.442	4.501	0	10	BJAE	
C=C=CC[C@H](C[C@@H]1CC[C@H]1C(C)(C)C)NCCC	2320242592	DOIJTLAUCZRBCB-ARFHVFGLSA-N	249.442	4.548	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCC(C)=C(C)[C@H]2O)CC1	2320349416	ZAYRHPIAQWXYGH-BRWVUGGUSA-N	248.410	4.620	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCC[C@H]3C[C@@H]32)CC1	2320395139	UTMAKRGPTCGCDQ-QXSJWSMHSA-N	246.394	4.518	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CC(C)(C)C[C@H]2C)c1	2321083127	OCFFTLAJYYTWSN-ABAIWWIYSA-N	249.373	4.625	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1c(C)cc(C)cc1C	2328280462	AJUMYSNRQIGQPB-HOTGVXAUSA-N	247.426	4.828	0	10	BJAE	
Cc1cc(C)c2c(Cl)cc(C(C)(C)C)nc2c1	36912983	JTHOFBZFAAFWQZ-UHFFFAOYSA-N	247.769	4.803	0	10	BJAE	
Cc1ccc(Nc2ccnc3ccccc23)c(C)c1	41055566	AFFPBHYRZJASNR-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
CCc1ccc2c(ccn2Cc2ccc(C)cc2)c1	75233115	ODAONIINKDDLPF-UHFFFAOYSA-N	249.357	4.560	0	10	BJAE	
CCC(C)(C)[C@@H](O)c1ccc(C)c2ccccc12	79905675	ZVCXOONDBCTHNO-INIZCTEOSA-N	242.362	4.618	0	10	BJAE	
CCN[C@@H](CCCC1CCCC1)c1ccccc1	80424418	HMONMORGKJNEGR-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
Cc1cc(Cl)nc2c(Cl)c(Cl)ccc12	82788501	IVDSMZZSCRSUCW-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCN[C@@H](CCC1CC1)c1ccc(C(C)C)cc1	88491920	WUTHITXDLRICFF-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCCNC[C@H](c1ccc(C(C)C)cc1)C(C)C	90339420	HROOPKSGRSXBIN-KRWDZBQOSA-N	247.426	4.549	0	10	BJAE	
CCN[C@@H](C)C1CCCCCCCCCCC1	91353797	RUUVVAHSACUDET-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(C(C)(C)C)CCCN1	91446184	NILTYQSOVWKXOR-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C1C(C)(C)C1(C)C	91491679	QFAOUDVNRBKORN-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@H](CNC(C)C)c1ccc(C)cc1	93138954	MYHMDNOZKLEXFD-QGZVFWFLSA-N	247.426	4.657	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@H](C)CC[C@@H](C)N	107599998	GWKWKGRWTCFKAN-TZMCWYRMSA-N	247.426	4.523	0	10	BJAE	
CC(C)CC(=O)c1cc(C(C)C)ccc1Cl	107998577	LAKAXCLMGQISNG-UHFFFAOYSA-N	238.758	4.692	0	10	BJAE	
CCCc1ccc([C@H](O)CCC2CCCC2)cc1	109788390	HRDFVEBSSUQINO-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CC(C)C[C@H](N[C@H]1CCC[C@@H]1C)c1ccccc1	109964015	OIFLEBZDVFQJDM-XIRDDKMYSA-N	245.410	4.552	0	10	BJAE	
C[C@H](NC1CC(C)(C)CC(C)(C)C1)C(C)(C)C	122514552	IBMUUGBWZWKYPZ-LBPRGKRZSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C[C@@H](C)C(C)(C)C)NCCC	124706176	IWQJIDIUZXOWLQ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCC(C)(C)C[C@@H]1C	155928207	PUCLKUSTAQWRNB-SMDDNHRTSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@H](/C=C(/C)C[C@H]1CCCCN1)CC	157320849	UGIXZNDJKCWWJE-CZZMSJKLSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)c1cc(C)ccc1C	162224121	FJBGGYLSVNMFIB-GUYCJALGSA-N	247.426	4.780	0	10	BJAE	
CC(C)CCCC(=O)C1CCCCCCC1	165726473	ROZZABUHPDDWGA-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1CCC1)NCCC	167095886	VFXFPQAAUQCBJC-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)c1ccc(Cl)cc1C(C)(C)C	200317507	INKNAOHAPOADKA-UHFFFAOYSA-N	224.775	4.935	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](Nc2ccccc2)C1	200998056	NDQTYANKBJVZOF-UKRRQHHQSA-N	231.383	4.703	0	10	BJAE	
CCc1ccc(OCCC2CCCCC2)cc1	204286035	SCZOJCRJFQCISA-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CCCCCC[C@H]1CCCC[C@H]1CNC1CC1	211931518	ZGHJDSASXNIOMD-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CSc1cccc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1	221606854	ZJFNQKYVMCSBAC-TYNCELHUSA-N	249.423	4.645	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCC[C@@H](C)CC1	224953640	CSXQNAWKJLNLCD-DGCLKSJQSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)C1CCCCCC1	227358974	KRNQMLZTCOSDNK-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H]1C[C@H](C)Nc2ccccc21	232956559	XKFKKRWCNUGKKG-QWHCGFSZSA-N	217.356	4.555	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H]1CC[C@H](C)[C@H](C)C1	253173296	LLDCIWYMWWFIKL-XOSAIJSUSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCCC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	253186306	IRCPLWHLUZYEDF-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCCCC1(C)C	300783273	BNNNEZHOAXLNFC-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@H]1CCCC[C@H]1NCCCC(C)(C)C	302303939	NJZBYMVMYOCZFQ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(C2CCCCCC2)C1	306050007	PFIUTZXAMCVIQF-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](C)C(=O)CC1CCC(C)(C)CC1	309465977	SJQYTCWPXBXZOI-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](NC1(CC)CCC1)c1ccsc1	310004999	GERUMFMXSGMZJW-CYBMUJFWSA-N	237.412	4.512	0	10	BJAE	
C1=C[C@@H](n2ccc3ccccc32)CCCCC1	310066616	GENBPXOXQGACNZ-OAHLLOKOSA-N	225.335	4.703	0	10	BJAE	
CC[C@@H](Nc1ccccc1)c1cccc(C)c1	310242270	TVXAOCWJRYNKNY-MRXNPFEDSA-N	225.335	4.558	0	10	BJAE	
CC[C@H](N[C@@H]1C=CCCCCC1)c1ccccc1	310613070	DGNLHSHUZZUFEA-SJORKVTESA-N	243.394	4.616	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1ccccc1C(C)C	310836379	LJMYCZQQPUXQQT-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)C1(CC(C)C)CCCC1	320110128	RDZVWZAPAMCATN-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CC(C)NC[C@@H](C)CCC/C=C/c1ccccc1	324172971	RFLRSFVQWKHAJS-BPLPYTOXSA-N	245.410	4.504	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CCC[C@H](C)C2)c1C	380944527	NJMZMRNJEKHVJC-WFASDCNBSA-N	244.378	4.703	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C2CCCCCC2)C1	383874488	IJJGMDPAMXJKJI-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CCC2=CCCCC2)C1	385141618	INUCRMJYQGDWMD-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cscc1C	387075472	ZRNXFOYQXGXVIZ-PWSUYJOCSA-N	225.401	4.683	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NC/C=C/C2CC2)CC1	393593695	UOLYVJNSZIKYMM-QDNWOOLPSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(NCC2(C)CCCC2)c(C)c1	394670509	QCXGNOQGEGJPBA-UHFFFAOYSA-N	231.383	4.604	0	10	BJAE	
CCC[C@@H](CC)NCCCC1CCCCC1	395170996	ADLKWRLPULVJRV-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCC[C@](O)(C[C@H](C)c1ccccc1)C(C)(C)C	395342088	CEGWINRIAYWWGK-YOEHRIQHSA-N	248.410	4.758	0	10	BJAE	
Cc1c(S)sc2cccc(C(F)(F)F)c12	396295977	GJERSOMUANAPLH-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC[C@@H](Nc1c(C)cc(C)cc1C)[C@@H]1CC1(C)C	397622826	LTAYLPGAYNJSQP-LSDHHAIUSA-N	245.410	4.848	0	10	BJAE	
CCC[C@@](O)(CC1(C)CCCC1)[C@H]1CC1(C)C	397665118	XWIQUNHXZJOCGY-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](NCC(CC)(CC)CC)[C@@H]1CC1(C)C	397724736	YHWTXJPDVQXLCI-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1=CCCC1)NCCC	401089716	UGIBRMOVJUONQH-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCC(C)(C)C1CC1	405884584	MFRSARUZVPAYRP-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCc1cc(NCC2(C)CCCCC2)ccc1F	690128537	UGAJDDRQMJUANS-UHFFFAOYSA-N	249.373	4.770	0	10	BJAE	
CCC[C@@H](N[C@H]1CCC12CCCC2)C1CCCC1	693896062	IGZOZQKMAGQBTI-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
O[C@H](CCC1=CCCCC1)[C@@H]1CCCC2(CC2)C1	696489920	GRYUPCQVQCXHKR-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC/C=C\c1ccccc1	696595065	TZPHJFBKDNMFAV-IYCSXQJISA-N	246.394	4.667	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(CCC(C)(C)CC)C1	696705570	XRLVRKUDQJNKDL-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H]1C[C@H](C(C)(C)C)CCN1	699562140	SUDXYURXZXWTGX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@@]1(C)C[C@@H]1C	704390917	VAWRIJLETPNZJA-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)C1=CCCCCCC1	704593410	XGKOICNCKSXXIZ-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)[C@H](C)CC(C)C)cc1	704756540	VEEMTVZVSBZHRW-VBQJREDUSA-N	247.426	4.882	0	10	BJAE	
CCCNC[C@H]1CCCC[C@@H]1CCC=C(C)C	704847132	GEXRPNKAPXVRML-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
Cc1cc(C)c([C@@](C)(N)CCC(C)(C)C)cc1C	704859540	HRYGMPKKPZWTOW-KRWDZBQOSA-N	247.426	4.612	0	10	BJAE	
CC(C)c1ccccc1[C@@](C)(N)C1CCCCC1	704863646	RSBQESDEFAIXQN-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC=C(C)C)NCC	704906554	JAAFAZLMAYJJHQ-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
C[C@H](CNC(C)(C)CC(C)(C)C)CC(C)(C)C	709142042	IYGCCPVXJYKBDC-ZDUSSCGKSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@H](C)C[C@@H](C)C(C)(C)C	711125991	IQRBTVRSHQZZTK-MGPQQGTHSA-N	241.463	4.719	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC(C)(C)C	713240770	QFMKIYFNLQJXMF-UHFFFAOYSA-N	220.356	4.543	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H]1CC[C@H](CC)C1	713261928	AFIGOSONBYSOFO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H](C)C1CC1	718592030	FYGVCKJEODMJPB-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](CCC(C)=C(C)C)NC)C1	718651981	LTDSBTDAPDICRS-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCCC(C)(F)F)C[C@@H](C)CC	718686199	MYRAZCAJPCOUMY-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
C[C@H](CN[C@@H]1CCCCCC1(C)C)C(C)(C)C	719226136	XOALRUKKXXNRAA-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC1CC(C)(C)C1	720977494	CDJRYRSCDZVHQG-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
Clc1ccc(-c2ccc(C3CC3)s2)cc1	721820563	DYDYOCGNVFPOKY-UHFFFAOYSA-N	234.751	4.946	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1ccccc1C(C)(C)C	723128868	NSQDTVBQCNTYEA-CHWSQXEVSA-N	244.378	4.603	0	10	BJAE	
CCN(CCC(C)(C)C1CC1)c1cccc(C)c1	1473230832	TUQIVXNXFVZRAO-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CC1=CC[C@H](N[C@H]2CCC[C@H](C(C)C)CC2)CC1	1560774787	SBXGGPNNJWWLAR-ULQDDVLXSA-N	249.442	4.680	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CC(C)(C)C(C)C	1900582249	BWNOIKIOWOASRE-OAHLLOKOSA-N	228.420	4.636	0	10	BJAE	
CCCc1ccc([C@H](O)[C@@H](CC)CCC)s1	1900675282	FGKKVYMLAJWKDZ-SMDDNHRTSA-N	240.412	4.560	0	10	BJAE	
CCCN[C@H](CC)CCCCC(CC)CC	1900701291	LHTUUAMOYIQLKX-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CC(=CCc1sncc1C)CCCC(C)C	1900898262	NAIADKMHOPAUBV-UHFFFAOYSA-N	237.412	4.767	0	10	BJAE	
O=C(c1cccs1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906543167	ZFOROAWABJWEGS-RWMBFGLXSA-N	248.391	4.537	0	10	BJAE	
CCC=CC[C@H](CC)c1ccc(C)cc1F	1912081099	GRFLOEHCRJQSRJ-ZDUSSCGKSA-N	220.331	4.984	0	10	BJAE	
CCC=CC[C@H](CC)c1cc(F)ccc1F	1912081109	NTJUWARPGGBNRM-NSHDSACASA-N	224.294	4.815	0	10	BJAE	
CC(C)(C)NC[C@]1([C@@H]2CCC2(C)C)C=CCCC1	1916615488	KQPJYLLMAUHPBH-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1CC[C@@H]2C[C@@H]2C1	1917354639	HINSAAQAAJYGJU-BFYDXBDKSA-N	241.378	4.555	0	10	BJAE	
CCCC1CC(CCC(C)(C)C)(CNCC)C1	1921207919	ZVPXGUOBWZFKGE-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC1(C[C@@H](O)[C@H](C)C2CCCCC2)CCC1	1923904807	NXBZNFFILZHGFO-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C(=O)[C@@H](C)C2CCCCC2)ccc1F	1924100869	ZGVAFFUHASVFRN-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@H]2C=CCCCC2)C1	1925944588	FJPVUDAWMAAEOB-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(O)CCC(C)(C)C	1937166537	GISWCMSCCAMBGX-ZFWWWQNUSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@H](CC)CCC1(CO)CCCC1	1939542176	IMQDZFHDOKOZLQ-AWEZNQCLSA-N	226.404	4.536	0	10	BJAE	
Cc1cscc1CNc1ccc(C2CC2)cc1	1941462686	KGOULORUZFKBKX-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2C[C@@H]3CCC[C@@H]32)n1	1941714106	WZZHJOPGGZBLOC-SDDRHHMPSA-N	249.423	4.734	0	10	BJAE	
CCCCCC[C@@]1(CNCC)CCCC1(C)C	1944480543	LLZWKTXTZQJAOR-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H]1CCC[C@H]1C	1944797315	NTTBCIXRNKQBNS-QLFBSQMISA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CCCCCCC1(F)F	1947277658	KFTJADWCOAESJP-CYBMUJFWSA-N	241.325	4.636	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cccc(SC)c1	1947464141	QMBGMVFFSVFCRG-DOMZBBRYSA-N	249.423	4.789	0	10	BJAE	
C[C@H](NC1CCCCCCCCC1)C1(C)CC1	1947864580	GLFYIFZGGNLZRD-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCC(F)(F)CC)C1	1947991936	YBYQSBJYXMBDBD-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CCC(C)(C)CC	1949012940	DLBTXKKRTMZNJH-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CC1(C)C[C@@H]1CCCC[C@@H](O)CC1CCCC1	1949869768	KEDDLBQRZWJOMQ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCc1cccc(C)c1NCc1cscc1C	1951027599	WKABNWLCSZVTFQ-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1NC[C@@]1(C)C=CCCC1	1967836923	KLHNRRVOEJFFTJ-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
COc1ccc(C)cc1N[C@H](C)CCCC(C)C	1968315456	NMUHAPSQVBSZIT-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CC1(C)CCC[C@@H]1CN[C@@H]1CCCC2(CCC2)C1	1970016687	VZNYCSXCRYTVHQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(CNC(CC2CC2)CC2CC2)CCCCC1	1971296916	SKGNFWHCZRDNOX-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H]2CCCCC23CC3)C1	1972730397	XFYIJTVRORZAKX-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CC(C)(C)CC[C@@H]1C	1973164214	PKUHTJGRYWZHHL-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN(C[C@H](C)CC(C)(C)C)C(C)(C)C	1975436403	IYZFHKZQFLXJJP-CYBMUJFWSA-N	227.436	4.569	0	10	BJAE	
CCCCCCN[C@H](C)C1(C)CCCCC1	1975576689	YEQKGKSZXYBADS-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CCC1CCC1	1976920723	SWZNTEQBYIZEMZ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCCCC[C@H]1O	1980333749	HKPIJMHNNZGUBP-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@H](CC)CCCC	1984619863	YFHMVSCBCOGDLI-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CC[C@@](CNC(C)C)(CC(C)=CCl)C(C)C	1986417072	XGQZZWPGDIUGDP-AWEZNQCLSA-N	245.838	4.570	0	10	BJAE	
CCCC[C@@H](O)CCCC(C(C)C)C(C)C	1988259251	IXSMRQNPFLMNLM-CQSZACIVSA-N	228.420	4.636	0	10	BJAE	
CCCC1(C[C@](O)(CCC)C(C)(C)C)CC1	1990615428	NIPQSZGNMCBALR-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@H]1CCCC(C)(C)C1	2000023425	HKZIWMHUZVPLRO-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CN[C@@H](CCCC(C)C)CC1CCC(C)CC1	2000254340	NHXFNAJOBRIDBJ-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)[C@H]1CCCC(C)(C)C1	2003025274	UUZOBKHAVZRHSU-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H]1CCC[C@H](C)CC1	2004226195	MBQDVGMTXHSOAR-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@H](N)C1(C)CCCCCCC1)C1CC1	2004921954	BSUDXABPQFHNSF-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@]1(CNCC)CCCC12CC2	2005562174	YVULSNBRSDTILD-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1C[C@@H](C)C1CCCCC1	2009238381	UUYOOWQYQWNMTC-SNPRPXQTSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H]1CC[C@@H](C)CC[C@H]1NCC	2009408856	WRBCSXRXNPPHNS-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC=CCCCc1ccc2ccccc2c1F	2009594788	TYFLSLBKMYCZJI-UHFFFAOYSA-N	228.310	4.878	0	10	BJAE	
CC=CCCC[C@@H]1CCC(C)(C)[C@H](NCC)C1	2009616895	NEVLEFLJZOHQMO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@@](CC)(CCCC1CC1)C(C)C	2012410960	JEGXDMIIYKETHO-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@@](CC)(CNCC(C)C)C(C)C	2012415779	DZGLYARAYGIUCD-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CC(C)CCC[C@@H](O)CC12CCC(CC1)CC2	2012822412	VQRFZXULLVXPOW-HWOWSKLDSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(F)F)C[C@](N)(CC)CCC(C)C	2013296559	LWOWSZXHQMHOIX-OCCSQVGLSA-N	249.389	4.602	0	10	BJAE	
CCC1(CC2(N)CC(CC(C)(C)C)C2)CCC1	2014657819	WRTVYVVCXDLEEH-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C[C@H](C)C(C)C	2015272574	QTVSITPJSZQSLW-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C)[C@H](C)CCC(C(C)C)C(C)C	2015338194	HSEHIQWKXHTHRQ-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CCC(=O)C(C)(C)C1CC1)C(C)C	2015393674	GCMJKOITKHUHQK-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@@H](O)[C@H](C)CC(C)(C)C)CCC1	2015635942	ROMSKBBJUUFBDV-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
COCc1cccc(CCCC(C)=C(C)C)c1	2016781482	IHVHUQYEEBPKKP-UHFFFAOYSA-N	232.367	4.512	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CC2(C(C)(C)C)CCC2)C1	2017129832	TZPUTWTYBQYJLK-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(CN)(CC(F)=C(C)C)CC1	2017469619	SYRWDIPLOISXHW-UHFFFAOYSA-N	241.394	4.575	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)[C@@H]1CCCC(C)(C)C1	2017787308	HJJQWWUPKQBFMZ-UONOGXRCSA-N	239.447	4.712	0	10	BJAE	
CCCCC[C@@](O)(CC)[C@@H]1CCCC(F)(F)C1	2018134961	UJTUATHTOUXPCG-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCCC1(C[C@H](O)[C@H](CC(C)C)C(C)C)CC1	2018973461	CQCBXAJIGVZZEQ-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CN(CC)[C@@H]1CCC[C@@H](CC)C1	2019204095	UCBLNRAXUYTRGA-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](C)CN(C)[C@H](C)[C@@H]1CCC[C@H](C)C1	2019285688	NVJPBWZJSURHIO-CAOSSQGBSA-N	239.447	4.569	0	10	BJAE	
CCCN(C[C@H]1CC[C@H](CCC)CC1)C(C)C	2019476879	CQKGMFYDWCQSET-WKILWMFISA-N	239.447	4.713	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2024095646	RWGJJOFFKRPEEM-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC(CC(C)C)CC(C)C)C1	2025587965	SMDWPSREZZMPET-HUUCEWRRSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC[C@@H]1CC1(C)C	2026147189	UNHFTSOPTJUOBF-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC1CC(C)(C)C1	2026170225	OEKRPRBGMYGJQV-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
Cc1oc(C)c(C(=O)CCC[C@H]2CC2(C)C)c1C	2027842061	FIDRKFQRDZYMET-ZDUSSCGKSA-N	248.366	4.604	0	10	BJAE	
CCCC[C@@H](CC)[C@H](C=Cc1ccccc1)NC	2028582974	FOLHQYWMXSIPBJ-SJORKVTESA-N	245.410	4.504	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)c1ccc(CC)cc1	2029966145	GMDFROLUBDNIFX-GJZGRUSLSA-N	247.426	4.726	0	10	BJAE	
CC(C)c1ccccc1NC1C[C@H]2[C@H](C1)C2(C)C	2032443030	DNSPPTWWKVPPMD-GJZGRUSLSA-N	243.394	4.657	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)C[C@H]1CCCC[C@H]31	2034144470	ITOPRQFSPJNLFL-OLZOCXBDSA-N	239.362	4.615	0	10	BJAE	
CC(C)C1(CN[C@H]2CCCC3(CCCC3)C2)CC1	2034362101	ICEKLVQTXFCELX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C)cc1	2035401005	SKAMKCMOKFWQQO-UAGQMJEPSA-N	245.410	4.614	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@@H]2CCC[C@@H](C)C2)cc1C	2037049289	ZBSYTWRVXFSMKV-VMGRFDJRSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2CCC23CCC3)cc1	2037479159	VTIDLNFXUKFQPN-CJNGLKHVSA-N	243.394	4.945	0	10	BJAE	
CCC1([C@@H](N)[C@H]2CCC3(CCCC3)C2)CCCC1	2037693296	WZNYJOMQFYMAOI-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC1C[C@@H]2CCC[C@H]2C1	2038620994	CQYSCCIEZBSQKN-DZKIICNBSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NC1CCC2(CC1)CC2)C1(C)CCCCC1	2039861314	DJNVVGKLYOSXMW-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2C=CCCC2)CC1	2041380888	WKBDNZIPCSVEAQ-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC(NC[C@@]2(C)CC=CCC2)CC1(C)C	2042335987	AZSMTVHZXFXGTG-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](Nc1ccc(C2CC2)cc1)C1CC(C)(C)C1	2043553897	PCXPTNLCUHKVBR-GFCCVEGCSA-N	243.394	4.801	0	10	BJAE	
CC(C)c1cccc(C(=O)C2(C(C)C)CCC2)c1	2045568486	XVXITYAVONTRPE-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CC(C)=CCCC(=O)c1ccc(CC(C)C)cc1	2045586844	JDBQCPURNRSLIT-UHFFFAOYSA-N	244.378	4.814	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@@H]1CC(C)=C[C@H](C)C1	2045689322	DUSSEDDPBQMEHF-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCC[C@H]1NC1CC2(CCCCCC2)C1	2046230511	SUKFQWDAAATZIU-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCNCC1(C[C@H]2CC23CCCCC3)CCC1	2047007466	IOAGNQFHFRZSKD-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC1([C@H](N)[C@@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2049212868	VZZDYZKILJUPPN-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@@H]1CCCC(C)(C)C1	2049500549	FHSTXJXUJKCHRT-HZPDHXFCSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CC2CCC=CCC2)C1	2049528963	MVLCRGWRHRLTMT-DJIMGWMZSA-N	249.442	4.667	0	10	BJAE	
CC1([C@H](N)C[C@H]2CCC3(CC3)C2)CCCCCC1	2049850760	ABMSWYNWWQULMZ-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@H]1CC[C@@H](C)[C@H](C)C1	2050449873	KSAZZPIMCGJWPS-BPLDGKMQSA-N	244.378	4.640	0	10	BJAE	
CC1(C)CCC(C)(C)C1N[C@@H]1CCCCC12CC2	2053345687	KLZGWUFEYBXSGN-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC1CCCC1)[C@H]1CCCCC12CCC2	2053411498	KDEMZMGUXVJMCH-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@H]([C@H]2CCC3(CCCC3)C2)C1	2055038884	LEKHPPFYMMSSQN-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H](C[C@H]2CCC[C@H]2F)c2ccccc2N1	2055299705	ITKVVYWXOIYANP-RGCMKSIDSA-N	247.357	4.503	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2CC(C3CCC3)C2)C1	2056665520	DPVQLDBVFZYMKJ-XCAIRMDXSA-N	248.410	4.598	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@]12CCCC[C@@H]1CCC2	2056773531	CYWXJOGQXYJEOV-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
O[C@]1(C=C2CCCCC2)CC[C@@H]2CCCC[C@@H]2C1	2056858865	VKPLANDFDNSNBY-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](O)C2=CCCCCC2)CCC2(CC2)CC1	2056935916	ZEJBOLXEQYCOTC-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1	2059002811	IITBKQNWZARMRY-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2059004072	UDITVXFEUSOEEN-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCCN1CCCC2(CCCCC2)CC1	2059207581	RKQGAVLVUXHMJS-NSCUHMNNSA-N	249.442	4.779	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1C[C@@H]1C1CC1)NCCC	2059268093	VMQOFVFHOQCYTR-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1CC(=C2CCC2)C1	2061729822	ARTKVEITTBLTID-LRDDRELGSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C23CCCC2CCC3)C1	2063853939	YYUKPHVAKWDKSG-JFBXJRRNSA-N	248.410	4.742	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C12CCCC1CCC2	2063857828	FKSPPLKTMHYURW-UQPPLGOBSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)[C@@H]1CCC1(C)C	2068241511	DEWPJLSXMBWOKB-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CC(=O)c2ccc(F)cc2C)CCC1	2069281733	AZWDSNOIXMASBL-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)c1cc(C)oc1C	2070406793	CFBPCUPITJZQGF-OCCSQVGLSA-N	249.398	4.682	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CC[C@H]1C1CCC1	2071788470	UOVSBLIGUJOBMJ-RDJZCZTQSA-N	243.394	4.801	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)C[C@H]3CC[C@H](C3)C2)CCC1	2071940224	INZWJADMQYMJKY-XOIINTDNSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2cccc(C)c2C)CC1	2072794413	UBEYKAVXYZZVTI-WKILWMFISA-N	245.410	4.932	0	10	BJAE	
C[C@H]1CC[C@H](CCC[C@H](N)c2ccccc2)CC1	2072819417	CWVAMFWIMFZWNN-ZOBUZTSGSA-N	245.410	4.683	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@H]2CC[C@H](C)CC2)C1	2072872799	GVZXMLGFFBAPCY-DARAHFNDSA-N	248.410	4.764	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCc2ccoc21	2073340329	LQIQSHXUQQQENF-LSDHHAIUSA-N	249.398	4.606	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@]12CCCC[C@H]1C2	2074092885	AJDWHWQHKIURAD-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@]23CCCC[C@H]2C3)C1	2074112707	JBQPOSJPLIHWMO-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
CCCC1(CC(=O)[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)CC1	2074591425	QDDPOQBASJFQIC-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
CC[C@]1(C)CCCN([C@@H](C)c2ccccc2)CC1	2074784079	DRNCRRWDYSNZKJ-DOTOQJQBSA-N	245.410	4.650	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCC=CCCC2)[C@H]1N	2076392138	FILBLRADTVLSSJ-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CC=C(CC)C[C@H](NCCC)c1cccc(C)c1	2077197859	VROIEVRUEHPHHQ-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CCCCCc1ccc([C@@H]2CCCCCCN2)o1	2077978611	LZPPCEVWJSPPML-HNNXBMFYSA-N	249.398	4.607	0	10	BJAE	
CC1(CN[C@H]2CCC3(CC3)C2)CCCCCCC1	2078352031	SAXXDKLHYDQAHU-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@H]1CCCCC12CCC2	2079852138	OUWZWXMUEWGPGD-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@@]1(N)CCC2(CCCCC2)C1	2079887227	UTYIAHKDMRPHMK-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc(F)cc1CC	2081944379	ILQLLDMUPNLVPA-UKRRQHHQSA-N	249.373	4.769	0	10	BJAE	
Nc1ccccc1C=Cc1ccc2ccccc2c1	2112036208	YZMGATQIGQZMSH-UHFFFAOYSA-N	245.325	4.592	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@@H](C)C(C)(C)C	2214574119	RXFWUOSGXIQKQN-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC1=CC[C@H](CN[C@H](C)CCC(C)(C)C)CC1	2215834645	PHQUOSQTYZDOPT-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](CCCCC(F)F)NCC	2216460775	YIOOEKYTHWWWJK-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
CC[C@](O)(CCCCCCCC1CC1)C1CC1	2216896093	IFNSETYGYWKBPX-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@](C)(CCCC(F)F)CN[C@@H](C)CC	2217127880	IRETWDXCGMGSGV-GXTWGEPZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@](C)(CNC1CCC1)[C@@H](C)[C@H](C)CC	2217155604	DGNYDYDKABAFKC-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2218329168	AVGQJLRRGFACLO-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
Cc1cc(C)cc(CCC=Cc2ccccc2)c1	2219078775	QTEBNKCYHDFJJR-UHFFFAOYSA-N	236.358	4.949	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@]1(N)CCCCC12CCCCC2	2220672277	LXKQZRNWQRENMW-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@H](C)O[C@@H]1CCNc2ccccc21	2220742837	CQRZURCEYIIVJA-XJKSGUPXSA-N	247.382	4.529	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC1(C)CC2(CCC2)C1	2221042334	WZZKYIWRUFCQQR-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@@H]1CC[C@H]2C[C@@H]21	2223130300	LGHAGKVGSKHKJL-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@](C)(N)CC[C@@H]1CCC[C@@H](C)C1	2242816041	MBHKLJBNTUTKHY-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCCc1ccc(CCCC=C(C)C)cc1	2243548904	LUJWFWWWWRNLMP-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
CCC(C)(C)NCC[C@H](C)CCCC(C)C	2244847626	QZZWTEFCJMGIPX-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](C)(N)C2CCCC2)C1	2246669662	UFOVIWFEHSUGEF-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC[C@@H]1CCC[C@@H](C)C1	2246726714	KYRZGRYMIXZLIG-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@](C)(N)C1(C)CCCC1	2247176894	SJWNPJWGNDOVEY-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H](C)[C@H]1CC12CCC2	2248292277	RXTYAKPHYREKIW-NWDGAFQWSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC12CCC(CC1)CC2	2250356863	SRKMQAIUAXIGGN-NPCAHTBFSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)CN(C)CC[C@H](C)CCCC(C)C	2250466375	DKHBQOVSNXPNKW-JKSUJKDBSA-N	241.463	4.817	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@@H]1CCCCN1	2250468489	DRODNMPEEQJFJH-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@@H]1CCC[C@@H](C)C1	2252634724	KGBGDNFAWAQXDX-HZPDHXFCSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](Oc1ccc(C(C)C)cc1)C(F)(F)F	2253108213	BBTFBVOJKZPLSQ-LBPRGKRZSA-N	246.272	4.530	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@H]1CCC(C)(C)C1)CC2	2253866268	DFMXSTAATLNAPN-GJZGRUSLSA-N	243.394	4.548	0	10	BJAE	
Cc1cccc2c1N[C@@H](CCCC1(C)CC1)CC2	2253872387	UIAZUNJXNUHNJJ-HNNXBMFYSA-N	243.394	4.692	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)CC1CC2(CCCC2)C1	2254115793	QEXAJRBCJJMIML-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNC1(C2CCCCC2)CC1	2254534117	ZFCMQDVLSFRNHM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cc(C=O)cc(C2=CCCCCC2)c1	2254744142	PQPOKMDZDOYDOH-UHFFFAOYSA-N	242.362	4.970	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](CC2=CCCCC2)C1	2255126059	GYYORFMIQHHGLV-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1cccc(C(C)(C)C)c1	2257947707	QWUXEPXJBVXALH-BBRMVZONSA-N	245.410	4.975	0	10	BJAE	
CC[C@H](Nc1cc(C2CC2)ccc1F)[C@@H]1C[C@H]1C	2259128197	YIXRIZNQJBGYOE-YVLXSGLVSA-N	247.357	4.550	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@]23CCC[C@@H]2CC3)C1	2260579516	RQNWBKDQJMPUEL-NHMAURGWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@@]12CCC[C@@H]1CC2	2260581336	DEEZRPNBWIQXDU-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
O=C(CC[C@@]12CCCC[C@@H]1CC2)c1ccccc1	2260582435	JSBVPQCAWNLDBV-WBVHZDCISA-N	242.362	4.620	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@]12CCC[C@H]1CC2	2260584041	SMBFYOKRXUCEBE-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(NC[C@@]12CCCC[C@H]1CC2)C1CCCC1	2260597221	UDODMVVGKYYVGV-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@@]23CCC[C@@H]2CC3)CC1	2260599236	DMGXAKRFJRSOPS-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(CN)(C[C@@]23CCC[C@@H]2CC3)CC1	2260650459	DMJKNGIOMRMZOF-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@](N)(CC)c1cccc(C2CCCC2)c1	2260715948	KPUQAHTURLHMGG-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
c1cc(NC2C[C@H]3C[C@@H]3C2)cc(C2CCCC2)c1	2260716247	MRTDGRZDJFPPCO-HUUCEWRRSA-N	241.378	4.555	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H]1CCNc2ccc(F)cc21	2261347668	HRULHBWIVPMYRJ-BNOWGMLFSA-N	247.357	4.551	0	10	BJAE	
C[C@H]1C[C@]1(C)CNc1cc(C2CC2)ccc1Cl	2300672632	YNKJXFUKLJSYRB-ZUZCIYMTSA-N	249.785	4.675	0	10	BJAE	
CC(=CCC[C@H](O)CC(C)C)CCCC(C)C	2300862568	FVGUMVKTJHYHOG-INIZCTEOSA-N	240.431	4.946	0	10	BJAE	
CCC[C@](C)(CC=C(C)CC)CNC(C)(C)C	2300864798	FLKFUYOQRSSJET-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CC(=CC[C@@H]1CCC(=O)[C@@H]1C)CCCC(C)C	2300865884	SUBDJZVWWLMCBM-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
CC=CC[C@@H]1CCC(C)(C)CC[C@@H]1NCCC	2300903437	DVFGYJUTYJISGG-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)CC1CCCCCC1	2301142145	GUPMVFTUINGNQG-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2CCC(C)(C)C2)CCCC1	2302674453	AMKPNSYQDLDFJC-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(OCC[C@H]2CCC(C)(C)C2)cc1	2304416219	QXQLBKOBXHMMQO-CQSZACIVSA-N	232.367	4.590	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)CCC2(C)CC2)C1	2304420846	QSXJHLOICOBQPA-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC[C@H]1CCC(C)(C)C1	2304435306	IAVULZFAMWOINT-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)C[C@H](N)c1cc(C)ccc1C(C)C	2307505220	ICEOECKZUXMCPI-WBMJQRKESA-N	233.399	4.554	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2c[nH]ccc2=S)c1	2307568065	ZRZCCKGDPUOAML-UHFFFAOYSA-N	243.375	4.843	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1(C)CCC(C)CC1	2307818869	GFAYGNWAQJNLEP-PYBGIAKNSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)CC1(O)C[C@H]2CCC[C@@H](C2)C1	2307843385	KZTAPNKYUBGFES-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@]1(C)C=CCCC1	2307892570	FIUYNDAIJFXHKZ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC)CCCC1(C)C	2307894792	NSZHWUIAAOPGKG-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C[C@H]1CC[C@@H]2C[C@H]12	2308151310	WWDSJBMKQKAUPN-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309181354	YFTWQSXGOJWHPV-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C[C@@H]1CCC[C@@H]2C[C@H]12	2309961272	UBONEUQNBLAUTL-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@@]23CCCC[C@@H]2CC3)CC1	2313352938	FMDXOQAXUKBUTP-NCOADZHNSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1C[C@H]1C1CC1	2315873930	BNASJJMFWNDNOY-HOTGVXAUSA-N	243.394	4.576	0	10	BJAE	
Cc1cc(C)c([C@](C)(O)CCCC(C)C)cc1C	2315896953	KIZOPQCWEHUOJT-QGZVFWFLSA-N	248.410	4.646	0	10	BJAE	
CCC(C)=CCN(C)[C@H]1CCC2(CCCCC2)C1	2316506814	SMLZANZTFJKJEC-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC(=CC=C1CCCNC12CC2)CCCC(C)C	2316538324	WEGLIVUGTYOZGT-UHFFFAOYSA-N	247.426	4.601	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1CC[C@@H]2C[C@H]21)CCCC(C)C	2316551707	VDVUQCQJOWZPKP-VQHPVUNQSA-N	249.442	4.523	0	10	BJAE	
CC[C@@](N)(CC1CC1)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316879855	HFIXKVUXPZKHCS-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1C[C@H]2C=C[C@H]1CCC2	2317190662	VIEBGMMBVVIPKX-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1C[C@@H]1C1CCC1	2317948967	TWXMOJOUCGHUJE-DOTOQJQBSA-N	246.394	4.662	0	10	BJAE	
O=C(CCCC1=CCCCC1)C[C@]12CCC[C@H]1C2	2318518909	NAKLSCINPRMTNJ-DOTOQJQBSA-N	246.394	4.807	0	10	BJAE	
COc1cc(F)ccc1CCCC1=CCCCC1	2318566693	AFETVAJAWPRCNO-UHFFFAOYSA-N	248.341	4.657	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)CC1(C)CC1	2318583996	VVOKNTMAUOWAQQ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC[C@@H](C)C[C@@H]2C)CC1	2320325907	AMJIRKFUAUWDDU-VJUNAUMWSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CC[C@@H]2CNC(C)C)CC1	2320333827	KACUTVWMOVXZGY-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)c2c(C)coc2C)CC1	2320413090	MHAXGBVRGSMQEW-AWEZNQCLSA-N	246.350	4.606	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1cc(C)cc(C)c1C	2328273684	CVUORJLJQMPVKL-RDJZCZTQSA-N	248.410	4.862	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C(C)(C)c1ccccc1	2328281055	FGCAWLKBYQJWMK-HOCLYGCPSA-N	247.426	4.508	0	10	BJAE	
CCCN[C@@H](CC)c1c(C)c(C)c(C)c(C)c1C	35578960	GCVOLAKZFTTWRU-INIZCTEOSA-N	247.426	4.679	0	10	BJAE	
Cc1cc(C)cc(NC2CCC(C)(C)CC2)c1	76678678	SDXYALBOFBQAIK-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
CC(C)c1ccc2c(c1)[C@@H](C(C)(C)C)NC[C@H]2C	84230569	IICUVCDRNJRJOB-WBMJQRKESA-N	245.410	4.604	0	10	BJAE	
CCC1CCC([C@@]2(O)CCC[C@@H](C)CC2)CC1	86892646	HSPXHSREFYSXQF-PRLABOORSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCC[C@H](CCC)CC1	86940030	DGOSCOWZMWVEHV-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@H]1CCCC(C)(C)CC1	92599648	TZRGULNZRQKCGD-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC)C[C@@H]1CCC(C)C	109663292	VCLPWVJABDFWEA-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(OC)cc1C	109958355	UEUMYVGBYXMDET-JSGCOSHPSA-N	249.398	4.630	0	10	BJAE	
CCCCc1ccc2oc([C@@H](N)CCC)cc2c1	130392761	AFIMZQPDJRTAPO-AWEZNQCLSA-N	245.366	4.575	0	10	BJAE	
CC[C@@H](NCCCCC(C)C)c1ccc(C)cc1	134296629	KYYUDPVVUIFCRJ-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCCCCC[C@H](C)NCCCCC(C)C	147283361	PHLXTPXRUMMJJM-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCCN[C@H](CC(CC)CC)CC(C)(C)C	148340369	FVNSREODQISEKF-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)c1cc(C)ccc1C	163422597	MGPZFFKVSAZYLQ-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H](CC)CCCC	228737289	RFGQSTUOHLDJFP-LSDHHAIUSA-N	227.436	4.891	0	10	BJAE	
CN[C@H](CCC1CCCCC1)c1cccc(C)c1	229295903	VWZLSODQVCNHMN-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
C[C@H](CC1CC1)Nc1ccc(Cl)c(Cl)c1	229669269	HYFODQGMSWHXMA-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCC12CCCCC2	230166688	DNPHIDJLQVLTFY-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@@H]([C@@H](C)c1ccccc1)[C@H](C)CCC	233179699	JRMOVVOTNWXOHC-HLLBOEOZSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	233325559	JTBTZTROUXFQCA-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
Clc1cccc2c1NC[C@@H]2C1CCCCCC1	236068711	KQQBOZOTRGRPDC-CYBMUJFWSA-N	249.785	4.820	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@H]1CCCC(C)(C)CC1	252154663	NCEIZANGRWPOFL-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@@H]2CCC[C@H](C)CC2)C1	300575531	OPIHICSIYNSUCN-NXNVCVFFSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CCCC(C)(C)C)C1	300884010	OXAHJGXTJBFTGX-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCC(CCC)C(=O)CCCC(C)(C)C	300904308	RGNDDOCAEZQCFR-UHFFFAOYSA-N	226.404	4.988	0	10	BJAE	
CC(C)(C)CCCNC1CCCCCCC1	300914926	YNIXIRWGBFHIAQ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCCCCC(=O)C[C@H](C)CC(C)C	300915944	MJCZUYCTCXFARI-CYBMUJFWSA-N	212.377	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC(C)(C)C)NCC	301010204	ZTURSQIJUIFROD-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)c1ccc(C)cc1C	307991663	JBXLKMXAWLOXLN-WBVHZDCISA-N	248.410	4.799	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)CCC(C)(C)C[C@@H]1C	309991382	BIXRSLMAZJQTGJ-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@@H](C)CNC(C)(C)C)C1	310508921	LGDTXAHKRMLVAR-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)c1cc(C)oc1C	311076923	VYXAWDXBPYJXDN-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@H]1CC2CCC1CC2	311173490	SFTLVXXLBJEVCU-GQGLESIBSA-N	249.442	4.501	0	10	BJAE	
Cc1cc([C@H](C)NCCCC(C)(C)C)cs1	313293279	IJNRXKJYYUBTRV-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@]1(CNC2CC2)CCC[C@@H](CC)C1	317545732	ADVZKKCYHJQFAH-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CCC)CC[C@H](CC)C1	318154672	CSLQIWLFDLXNAP-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)NCC(C)(C)[C@H]1C=CCCCCC1	318463737	WXRGGAXWWBENPP-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@@H](C)[C@H](C)CC	319580740	SNBLABIYCRBZLZ-IJEWVQPXSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cccc(C)c2F)cc1	381010975	RQQAWRLMUPMJLK-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CC(C)CCCCC[C@H]1CCc2cc(N)ccc21	383112795	IEDHBOWURMXRKM-AWEZNQCLSA-N	245.410	4.905	0	10	BJAE	
Cc1cc([C@@H](N)CCCCCC(C)C)cs1	383165001	JTAJPRJTSPHINR-AWEZNQCLSA-N	239.428	4.663	0	10	BJAE	
CCN[C@H](CC[C@@H](C)C1CCCCC1)C(C)C	384171845	WVBXZCOLNHFINY-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)C[C@H](C)c1ccccc1	384851742	FWRBPTHMBWTYGR-AWEZNQCLSA-N	232.367	4.720	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1CC(C)(C)C[C@H]1C	386262216	MXTOMLVCJILWDE-MCIONIFRSA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@H](C)/C=C1/CCC[C@@H]1[C@@H]1CCCCN1	386279520	NSMRFZKRXKIUKB-YXPJMGIPSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H](C)c3ccccc32)cc1	386606866	MCFSTZSBQZSPFU-DYVFJYSZSA-N	237.346	4.655	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1CCCC1(C)C	389000572	QOZHJDKPRJAGGX-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C1C(C)(C)C1(C)C	395079518	ODVFAKHWWKBATK-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CSc1c(C)c(C(F)F)cc2sccc12	396402818	HERAKMUGHBDPAP-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@@H](CN[C@@H]1CCCCC12CCCC2)C1CCC1	398937377	ULXJRKOBEQYAKY-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)C[C@@H]1CC=CCC1	402231652	YBQIGQBIULWVLP-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CSc1ccc(C(=O)CCCC2CCC2)cc1	688839150	OYPCTPDLBRVYBV-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
C1=CCC(CCc2cccc3ccccc23)C1	692111816	LYWWJPJIQAFXML-UHFFFAOYSA-N	222.331	4.739	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CCC(C)C	697752778	HKCOZDKJBAAQER-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC(C)=CCCCc1ccc(C(F)(F)F)cc1	698003853	NFQHPIHVBRFPEJ-UHFFFAOYSA-N	242.284	4.994	0	10	BJAE	
CC[C@H]1CCC[C@](O)(C(C)(CC)CC)CC1	701080058	UPCGFCZRZZMWDD-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)[C@H](C)CC(C)C	708312147	IHDQCXKRSXKHGB-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)c1ccc(Cl)s1	709256006	XPWHHLNHJXEBKO-QMMMGPOBSA-N	244.787	4.657	0	10	BJAE	
CC(C)CCCCCC(=O)[C@]12CCCC[C@@H]1C2	710546044	UVDJXUCDHPLORZ-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(N[C@@H](C)CCCC(C)C)c(C)cc1N	710672780	BDJJLWOMCMOQCE-AWEZNQCLSA-N	248.414	4.512	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](O)C[C@H](C)C(C)(C)C	710743402	WFBCOYFPFGVAOB-YDHLFZDLSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C[C@H](O)[C@H]1CCC[C@@H](C)C1)C(C)(C)C	711180380	NRHVHONIBYTWRZ-BARDWOONSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](O)(CC(C)(C)CC)C1CCCC1	713198709	JQWHTJIZCKUMGP-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)CC1CCCCCC1	713218047	MZDHFDOFBJIOGK-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC([C@@H](N)CC(C)(C)C(C)C)CC1	713271006	ZSEDKGJTPMTEQG-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(C)c1C(=O)CC(C)(C)C(C)C	713365787	MJJSIBSMXGLDIR-UHFFFAOYSA-N	232.367	4.558	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)c1sccc1C	713700836	JXHRPRHSHZTNJQ-UZYOAWRESA-N	249.423	4.620	0	10	BJAE	
C=C/C=C/CC[C@@H]1C[C@H](C)CC[C@H]1CNCCC	713713213	YUADCCLXBBZOOY-QUWVXFTRSA-N	249.442	4.561	0	10	BJAE	
C=C/C=C\CC[C@]1(CNCCC)CCCC[C@H]1C	713718134	LGDBKTIDMPCXKV-TZNMXKOXSA-N	249.442	4.705	0	10	BJAE	
CCC(C)(CC)C(=O)c1cccc(C2CCC2)c1	721704867	LLBFCLQKPLNYNW-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCC[C@](O)(CC1CC(C)(C)C1)c1ccccc1	723552701	NYWKYKQZTCKWPX-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CCC(CC)C[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	723607290	GIWUJMANHFTZAX-ARFHVFGLSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](NCC23CCC(CC2)C3)CC1	1474096113	ADUMMURHJZWQOM-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1cccc(C2CCC2)c1	1560855854	DXEQFOINTFQXEQ-LRDDRELGSA-N	229.367	4.555	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C[C@H]3CCC[C@H]32)CC1	1621099628	GWXRLJVKGDEMOE-FVQBIDKESA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CSc1cccs1	1651765106	ATWGYVZWTSMREJ-GHMZBOCLSA-N	226.410	4.667	0	10	BJAE	
C1CCCC(NC[C@H]2C[C@@H]2C2CCCC2)CCC1	1653266106	JFZWRDJHGLDGCF-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1sc(C)cc1C	1900694699	BJXVWSFUYCPLIY-CYBMUJFWSA-N	239.428	4.581	0	10	BJAE	
CCc1ccc(F)c(-c2ccsc2C)c1F	1901897131	FVNDMGJDRONECY-UHFFFAOYSA-N	238.302	4.564	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)CCC=C(C)C	1905435133	PAXSAMVLDPJWDV-GJZGRUSLSA-N	225.420	4.667	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCC[C@@H]1C[C@H]1C	1909758825	AGKJMOURVXRNLL-OAGGEKHMSA-N	239.447	4.713	0	10	BJAE	
O=C(c1ccsc1)[C@@H]1C[C@H]1C1CCCCCC1	1910659621	MWXFRPFVTXSBSQ-UONOGXRCSA-N	248.391	4.537	0	10	BJAE	
C=CC=CCCC(=O)c1ccc2sccc2c1	1911778174	KQNXNOUMPYEZAA-UHFFFAOYSA-N	242.343	4.606	0	10	BJAE	
C=CC=CCCC[C@@H]1CCCC(F)(F)C1	1911784830	WLNKBQNKKRTLCW-GFCCVEGCSA-N	214.299	4.724	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCC2(CCCC2)C1	1916416238	XSXWJHMZCOPSEN-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@](C)(O)c1cccc(C(C)C)c1	1919961792	IAVXWDIMRRWIML-QGZVFWFLSA-N	248.410	4.988	0	10	BJAE	
CCCNCC1(CCCC(C)C)CC(CC)C1	1921187816	SEFHFXDSGUQWMX-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)[C@@H](O)[C@H](c1ccccc1)C(C)C	1921286217	JYUHGLDGLANEEZ-HOTGVXAUSA-N	248.410	4.613	0	10	BJAE	
CC1(C)C[C@@H]1CCn1ccc2cc(Cl)ccc21	1921446149	GBZQBEJZHAZKIP-LBPRGKRZSA-N	247.769	4.731	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@](C)(N)CC1CCCCC1	1921564112	QKCIBBLGNMYCJE-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@](C)(CCC(C)C)C1CCCC1	1924093280	POYUPCQZQHBMAV-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CCN[C@H](C)c1csc(C)c1	1926171382	FQBZAUGASLFPJH-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)C[C@@H]1C=CCCC1	1927027394	REYAWCJYCBHARA-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CCC)NCCCC1(C)CC1	1935922308	XKAVULHUSQWULF-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC(C)CC[C@](C)(O)CCCCCC1CC1	1936409757	GKIWUXISLWYFNW-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(O[C@@H]2CCC[C@@H](C)C2)c(Cl)c1	1936604582	JRFMJBZSMGAXNH-ZYHUDNBSSA-N	238.758	4.606	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCCC2(C)CC2)CC1	1940844040	ATZRYYMDBAXMQW-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@H](N)CCCC1(C)CC1)CC(C)(C)C	1940862203	GYBXZHFQMHDUTC-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H](CC(C)C)C(C)C	1941267994	ZJSQVXMPIGAADH-HZPDHXFCSA-N	239.447	4.639	0	10	BJAE	
CCC1CCC(C(=O)C2(C)CC(C)(C)C2)CC1	1941986806	DHZMZUUBAOYKDD-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)N[C@@H]1CC(C)(C)CC2(CC2)C1	1943081956	HPSOWEQNEGUQBO-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](N)c1ccc(C2CCCC2)cc1	1944137866	BRNQKYFXPSDMGE-INIZCTEOSA-N	231.383	4.534	0	10	BJAE	
CCC(CC)CC(=O)[C@@]12CCCC[C@@H]1CCC2	1944221526	JWJNRDQETPKFTE-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CCSc1ccccc1NC[C@@H]1CCC[C@@H]1C	1944961944	CQRVMXCDQUPBOX-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CC[C@@H]2CCCC[C@@H]21	1946367647	RMEIGSQZCPKLRE-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCCC[C@@H]1C	1947466027	XCFHCSPVRGEWQC-JJXSEGSLSA-N	237.431	4.514	0	10	BJAE	
CSc1cccc([C@H](N)CCC(C)=C(C)C)c1	1949044821	AUPPXLAGENQGPI-OAHLLOKOSA-N	249.423	4.545	0	10	BJAE	
CC1(CCCC[C@@H](N)CC2CCCCC2)CC1	1949907266	MCTJJXHMQZZVFU-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)[C@@H](C)NC[C@H]1CCCC(C)(C)CC1	1950923691	VKPFEQHXRJNRGD-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CCCC(C)(C)C)CC1	1950929499	HPUSFODLONDXSM-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](O)CCCC(C)(C)C	1950969909	CJXUGQACGJANRC-SOUVJXGZSA-N	238.415	4.556	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CCCCNC(C)(C)C	1950970376	IILGAXLDXYPRER-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C1(CC)CCC1	1951235734	YMGPVWFZKCWPAU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cc(C=O)cs2)cc1	1951241646	FVFIXGIIGURLNO-NSHDSACASA-N	244.359	4.741	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CC[C@H]1CC(C)C	1968237855	PCZLVIRLVKOUGN-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@@H](C)C(C)(C)C	1969039682	FEVMGPLJOPQLBD-UONOGXRCSA-N	227.436	4.569	0	10	BJAE	
CC(C)Sc1ccccc1N[C@H]1CC[C@H](C)C1	1970344706	UPVGKQNLONZFMJ-STQMWFEESA-N	249.423	4.788	0	10	BJAE	
CCC[C@H]1CCCCN1C[C@@H](C)CC(C)(C)C	1970607271	UJCWCGMGTQJYTF-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](CC)CN(C)CCC1CCCC1	1970730552	UCUORDIELFLHMJ-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1CC[C@H]2CC[C@H]1C2	1971816277	SWMYIZSMZZDHQS-ORQFMDKSSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CN[C@H](C)c1ccc(C)cc1C)C(C)C	1973384228	IXZXKUZTVBTMCL-CVEARBPZSA-N	247.426	4.636	0	10	BJAE	
C[C@@H](Nc1cccc(Cl)c1)C1CC(C)(C)C1	1977369702	YGFCURJUPXBUPM-SNVBAGLBSA-N	237.774	4.577	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CCC=C(C)C	1978428740	QBPNBJIDLJBWDI-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
Cc1csc(C)c1C(=O)CC1(C)CCCC1	1980380546	OFDXAURIVRQHHT-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCNCC(=CC(CCC)CCC)CC	1981294534	WMSLCVOCCOAGJM-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CC1(C)CCC(C)(C(=O)c2ccsc2)CC1	1983314190	KKWZWFXZZCTLIU-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
Cc1cc(O[C@@H]2CC[C@@H](C)C2)c(C)cc1Cl	1989926362	LZSMKJKJJYHKPT-BXKDBHETSA-N	238.758	4.524	0	10	BJAE	
CC=C[C@@H](CC[C@H](C)CCCC)NCCC	1995215612	XFHQECNWSZKDER-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CC1CCC([C@@](C)(O)CC(C)(C)C(C)C)CC1	1996545735	BSVAJGUCLRGLMJ-XUJLQICISA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2ccccc2SC2CC2)C1	1996550760	XDPZLIPKNWPZHU-NWDGAFQWSA-N	247.407	4.542	0	10	BJAE	
NC1(C[C@@H]2CCC=CCCC2)CCCCCC1	1999991136	PCQYYGGLTKUOAD-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CC2CCCCC2)C1	2000038791	RTMODYMMRGSCCV-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCC(C)C)CCC1=CCCCC1	2000249791	PJVVPVVJGWBKCP-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@H]1CC[C@@H](C)C1)NC	2000324610	UVCKZUMTNGWKDK-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)[C@@H](C)CC(C)C	2000517233	ATQLGIPPKGKOLX-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)CCC[C@H]1CC1(C)C	2000908632	ALCBUIBNFLUYPB-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](C)[C@@](C)(N)C1CCC(C(C)C)CC1	2002925522	OIENCCPSNYJYOM-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCCCC[C@@H]1NC	2003098525	KLTYMIHBRMBIQQ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)CNCC1CCC(C)CC1	2004711357	IVTUPPBVVASFKP-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CNC[C@@]1(CCC=C(C)C)CCCCC1(C)C	2005580431	QFMVYBQCEYFLEE-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](C)C[C@@H](NC)C1	2006621554	UIFDUXXBUNAOPG-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
F[C@H]1CCCC[C@@H]1Nc1cccc2ccsc12	2006686136	ZMPFETUEEUMLMH-RYUDHWBXSA-N	249.354	4.594	0	10	BJAE	
C[C@@H](C[C@H]1CC[C@@H](C)C(=O)C1)C1CCCCC1	2006946025	IAXLAOKPVKSUBX-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](N)C1(C)CCC(C)(C)CC1	2007691059	BTQJQUINHWBMRD-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
CC=C(C)[C@@H](C[C@H](C)CC(C)(C)C)NCCC	2007862843	QPLNGDZWWBDPEB-DZGCQCFKSA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@](C)(O)[C@@H]1CCCC(C)(C)C1	2009591145	UYSUDWYSFUNNDE-CKAOXQASSA-N	238.415	4.700	0	10	BJAE	
CCCCCC1CC(O)(C[C@@H](C)CC(C)C)C1	2009716106	NVLHUPVUBMQTGG-FHERZECASA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)[C@H](N)CCCC12CCC(CC1)CC2	2012835391	CWZXDNUQQKVNCH-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC=C([C@@](O)(CC)CCC(C)C)CC1	2013270831	MHLOFFHKQCIFEA-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1C[C@H](C(C)(C)C)C1	2013704934	HYNAYEBIRLEYRY-HDJSIYSDSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)c1sc2ccccc2c1C	2014292415	OUGOJAGVYPREEA-ZWNOBZJWSA-N	247.407	4.646	0	10	BJAE	
CCNC[C@@]1(CCCC(C)(C)C)CCC1(C)C	2014851495	BFBFINMCLZXYAS-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CCC(C(C)C)C(C)C	2015330789	ABJHZQLATHJXLC-HNNXBMFYSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(CC[C@@H](O)C1CCCCC1)C(C)C	2015334934	IUDIIMABDMEAGY-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](C)(CNCC)CC(C(C)C)C(C)C	2015411111	FJIMJZMLERTGRS-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
CCC[C@H](C[C@H]1CC[C@H](CCC)CC1)NCC	2017722396	FTIIMSILTVCUEB-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(CCC[C@H](CC)NC)CC1	2017733448	KIUUZBUZDVQPGZ-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC[C@H]2CC[C@H]1C2	2018131172	MZVLETXEOLAIHW-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@H](C(C)C)C2)CC1	2019003136	WVXJBGVZADARRK-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](N)C[C@@H](CC)C(C)(C)C)CC1	2019005634	HMFHGIDVWBREAS-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCN(c1cccc(C)c1)[C@@H](C)CCC(C)C	2019407176	PKNVTZHSIUVBGQ-HNNXBMFYSA-N	233.399	4.646	0	10	BJAE	
CCCCCCN(C)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2019938490	MQQKOCNRMOFWDJ-ZSHCYNCHSA-N	239.447	4.571	0	10	BJAE	
CCCN(C1CCCCC1)[C@@H]1CCCC[C@@H]1C	2020533579	BTSLCLRSUAEUJL-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C1CCC(CC)CC1	2022560367	NYTKXQWQVDGIKY-NEXFUWMNSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H](CC)CC(C)C	2022675923	OSRFNSPYSAFCFP-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@H]1CCCC(C)(C)C1	2024093529	CGCJOZJOVZAAIX-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)C[C@H]1CCCC(C)(C)C1	2024097131	WWXPJSIEFRNGDA-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)C1CCC(C)CC1	2026165388	AYRNXQDOKVFQRD-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@H]1CC[C@@H](C)C1	2026169480	IQWZVHBSWKPYPE-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c([C@H](C)NCCCC2(C)CC2)c1	2027807609	IJNGJWKWQVDODF-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc(C(=O)CCC[C@@H]2CC2(C)C)c(C)c1	2027842678	KDBDXDWLRXSERG-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
CCC[C@H](C(=O)c1cc(C)c(C)cc1C)C(C)C	2028256320	YJUKZBZSOPMNOL-HNNXBMFYSA-N	246.394	4.867	0	10	BJAE	
C[C@H](C[C@H](N)c1cccc(C2CC2)c1)C(C)(C)C	2028553168	WLLBQVWTGNQXTJ-WBMJQRKESA-N	245.410	4.636	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1cccc(C2CC2)c1	2028557948	RVUZDTUNLITKHY-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
Cc1cccc([C@@H](N)CCCCCC2CC2)c1C	2028631401	OJRXWFWHCNTZOY-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
CC(C)NC[C@H]1CCC[C@H]1CC1CCC=CCC1	2028875213	FTUSPQVNYONSPL-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CCCC[C@H]1NCC1CCC=CCC1	2028893085	WHONWUPDCJAIRK-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CCN[C@]12CCCC[C@H]1CCC2)C1CC1	2031789246	PRFBYTUCYSPNCV-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCc1occ(C)c1C(=O)CC1CCC(C)CC1	2035538406	PUFRDNXNZUYQDH-UHFFFAOYSA-N	248.366	4.550	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCC1)C1CCCCCCC1	2035587356	BXXQCLYGBVWSPL-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
Fc1ccc2[nH]c3c(c2c1)[C@H]1CCCCC[C@H]1C3	2035858606	ALKTZNGVRDQECL-JQWIXIFHSA-N	243.325	4.527	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1CC1CC(C)(C)C1	2037225909	KEVQDIFVSGBKNB-IUODEOHRSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@@](C)(O)c1ccccc1	2038165252	LSQWAMFGWIHUMT-HLLBOEOZSA-N	246.394	4.501	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2CCC3(CC3)C2)cc1	2038572689	RRRAPTJGKKEYFX-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CC23CCCCC3)CCCCC1	2039082418	QGHQIDMGERNCBV-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@@H]2CCCC23CC3)CC1	2039382510	ANQVJLAPSXDKEV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2C(C)=CCC[C@H]2C)C1	2039453726	VAVOPLXIMMSMKQ-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@@H]1CCC[C@@H](CC)C1	2042025062	RMWSYJSTHAZMQR-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCCCc1ccc(NC[C@H]2[C@@H](C)[C@H]2C)cc1	2043416982	VVCMMNHUZSCBIG-XOIINTDNSA-N	245.410	4.733	0	10	BJAE	
C[C@H]1C[C@@](N)(C[C@@H]2CCC=CCCC2)CC[C@H]1C	2045316875	HPVYXMLBMLVLTD-YYIAUSFCSA-N	249.442	4.667	0	10	BJAE	
CCNCC1(C[C@@H]2CCC=CCCC2)CCCC1	2045321032	RQXBQMJBZWSMPX-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCc1ccc(N(C)C2C[C@H](C)C[C@@H](C)C2)cc1	2046567655	GCFBPZKZSJUAPF-ZIAGYGMSSA-N	245.410	4.510	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1CC12CCCC2	2047063335	VNVYWNZMSOTXBR-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](C[C@@H]1CCC12CCC2)C1=CCCCCCC1	2047938757	ILNHXGOBLHZMBB-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](C[C@H]1CC=CCC1)[C@H]1CCCC(C)(C)C1	2049490258	NGCZASVDXIQDJA-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1(CC(=O)C[C@@H]2C[C@H]3C=C[C@H]2CC3)CCCC1	2049788323	JQQXPTKBIASAMF-KKUMJFAQSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC1CCC2(CC1)CC2	2049855437	MBYUKHBVYGXVCL-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
O[C@H](CC1=CCCCCCC1)c1cccc(F)c1	2050445523	SUPOTHAADNDMIC-MRXNPFEDSA-N	248.341	4.530	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)c2cccc(F)c2)C1	2050495580	VNPYSJDNODJQDC-GFCCVEGCSA-N	248.341	4.615	0	10	BJAE	
CC(C)NCC1(CC2(C)CC2)CCC2(CC2)CC1	2056559007	NNXMQEYPELTRRQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC=C1CCCCC1)c1ccco1	2056868885	VSIYJJFQVCULPT-OAHLLOKOSA-N	247.382	4.601	0	10	BJAE	
CN[C@H](C=C1CCCC1)C1(C)CCC(C)(C)CC1	2056875940	LSIPUIXUTMZRSU-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC([C@@H](N)C=C2CCCC2)CC(C)(C)C1	2056883245	NMZVQTMIAYSVOA-HNNXBMFYSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@H]1CCC(C)(C)C1	2056884696	WWQUOHCFVRSYED-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc(CC[C@@](C)(CC)CN)cc1	2058839649	HSZUARPUZOVSIS-WMLDXEAASA-N	247.426	4.508	0	10	BJAE	
CCCCCC1CC(N)(CC[C@@H]2C[C@H]2C2CC2)C1	2059497377	MJMUOMGTXVEORD-YTWPKEEVSA-N	249.442	4.501	0	10	BJAE	
CSc1cc(Cl)c(Cl)cc1C(F)F	2060074835	XMVYUKZHXOEJGU-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
Cc1cccc(C(=O)CCC[C@]23CCC[C@H]2C3)c1	2061596982	PFOZZHWWXMCKTD-RDJZCZTQSA-N	242.362	4.538	0	10	BJAE	
Fc1cc(F)cc(CCC2CC(=C3CCC3)C2)c1	2061729099	SBFJSGNHVBMJEB-UHFFFAOYSA-N	248.316	4.788	0	10	BJAE	
C(CCN[C@H]1CCCCCC12CC2)CCC1CC1	2062020299	MQLLZOGGJTUFLQ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)[C@@H]1CC=CCC1	2062640556	DHYMQZUXITVNIW-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2C[C@@H]3CCC[C@H]3C2)C1	2063410252	QSBCXSKFQJENKK-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](CN2CCCC23CCCCCC3)C1	2063438438	JWMWELUBWJCLBX-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2CC3(C2)CC3(C)C)C1	2064133029	QJWJBISDTBHLRX-YFTKNLTDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1CC2(C1)CC2(C)C	2064133619	WUJQOFLEVLSXJK-PEUXKQIOSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CC12CCC(CC1)CC2	2065338531	TVDWXLNLDOPDEX-OTBWCIGPSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H]1C[C@@H]2CC[C@@H]2C1	2068814236	RKZRHCYROOSCTP-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)C1(CC(C)C)CC1	2069513221	KIYZJBOOUXDPBN-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1=CCCCC1)C1(CC2CCC2)CC1	2069563365	FQKILEVTEDYGIN-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CC[C@@H](CC)NC2)CC1	2072809917	RMPSSFZFMFEYED-BFYDXBDKSA-N	249.442	4.681	0	10	BJAE	
CC1([C@@](C)(N)C[C@]23CCCC[C@H]2C3)CCCCC1	2074034478	RBBYYDQYIBQWSN-BHYGNILZSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@H]2CCCC3(CC3)C2)C1	2074894169	ZNYAGFXHKWICMR-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@@]2(CCN2[C@@H]2C=CCCCC2)C1	2075406571	BUHGAZNBNTZFMA-NVXWUHKLSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC[C@@H]1C[C@H]1C1CC1	2075809837	BUTLRNGZVRSZLC-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H]1CC[C@H]2C[C@@H]2C1	2076585794	JJUMOQXQGVWFLN-ZMSDIMECSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2C[C@@H]2C2CCC2)CC1	2079301379	BEIRGSYLUZPNSK-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC(=O)[C@@H]2C[C@H]2C2CCCCC2)CCC1	2079492637	RWFWBBAKLGUCFV-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@H]2C2CCCC2)CC1	2079851723	MWGUXZZETAWORT-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CC=C1CCC1)CNC(C)(C)C	2081682427	VYCVYIJLSVPEGC-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CCCNC23CCCC3)C1	2083814599	SBDPSKWSSHMJNB-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)C1=CCCCC1	2084990123	UVPDQVVNMJSENF-DQPZFDDXSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@](C)(O)CC[C@H]1C[C@H]1CC	2211559588	QTIPWUKEVVMWGQ-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](C)C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2213280525	RSASOPHUKDGRKX-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@H]1CCCCCCCCC1=O	2215344964	GPWVIOUPFRIHTK-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CCCCCC(F)F)NCCC	2216424832	PLXHNLQQZZPUIT-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
C1=C[C@H](NCCCCCCC2CC2)CCCCC1	2218751333	VSCJVJUXRFIJIV-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1C[C@@H]1CCC1(N)CC2(CCC(C)(C)CC2)C1	2220877766	PHQVKMWRMSENFG-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cc(N[C@H]2CCCCC[C@H]2C)ccn1	2220886136	UIPNDQFDMLMKKK-HIFRSBDPSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CC(C)(Cn2ccc3cc(F)ccc32)C1	2221087043	YBYVYUYXTDLJBI-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
C[C@@H]1CC=C([C@@]2(N)CCC[C@H](C(C)(C)C)C2)CC1	2222254344	BHUNSOOSPPDIMJ-UKPHBRMFSA-N	249.442	4.667	0	10	BJAE	
FC(F)CCCCCC1=CCCCC1	2241443323	KRFYRWUXDIQIME-UHFFFAOYSA-N	202.288	4.702	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNc1ccc(Cl)cc1	2243008744	NHLIFGNWOAGTFQ-NEPJUHHUSA-N	237.774	4.578	0	10	BJAE	
CC(C)CCCC(=O)CCCC[C@@H]1C[C@@H]1C	2243039676	MTVQXZDHRWJZSD-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1=CCCCC1	2243211306	UAGDLMLRCWJUHP-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CCCCCC(C)C	2244775301	MLWXYVFGZFGJPV-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
CCCCC[C@@H](CC)NC1CC2(CC(C)C2)C1	2246834700	CDDOGBXWEVKTMR-PYEOEOCKSA-N	237.431	4.514	0	10	BJAE	
CN[C@H](CCCC[C@@H]1C[C@@H]1C)CCCC(C)C	2247148784	KPGPZSJAUZIEBM-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@@H]1CCC1(C)C	2247306101	GNJDWSVDUKSMQR-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)CCC1CCC1	2248807799	LCEYGTXCSUSTFS-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CCCCNCC(C)C	2250479514	VUYNQBKMBVHWSO-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CC1=C(C)[C@H](NCC[C@H]2CCC[C@H](C)C2)CCC1	2253964313	UPGSBIVWWICCTL-IAOVAPTHSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)C2(C3CCC3)CC2)C1	2254000368	DJZRHMWGVDJOMA-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC2CC3(CCCC3)C2)C1	2254085192	ZYCAAFOJFIATJV-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNC1(C2CC2)CCCCC1	2254526489	MGFXFTCIXJADSP-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)CCCCC[C@@H]1C[C@H]1C	2254537828	SIVWFWSIICSDHJ-HUUCEWRRSA-N	244.378	4.784	0	10	BJAE	
CC(C)CN(C[C@@H]1CCC1(C)C)c1ccccc1	2254912020	CSFWNKBVDYSVEN-HNNXBMFYSA-N	245.410	4.585	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C[C@@H]2CCC23CCC3)C1	2255013490	NAQXAFRKMQRYKV-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(OCCCCC[C@@H]2C[C@@H]2C)c1C	2257247184	JMTBEHILQMWMLK-GOEBONIOSA-N	246.394	4.899	0	10	BJAE	
CCc1cccc(NCCCCC[C@@H]2C[C@@H]2C)c1	2257333433	YBISXPMQIREIFD-GOEBONIOSA-N	245.410	4.877	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC1C[C@@H]2CCC[C@H](C1)N2	2257337340	FEQKQNJBTMZRGG-YYHXJNRASA-N	249.442	4.514	0	10	BJAE	
C[C@H](CNc1cccc(C(C)(C)C)c1)C1CCC1	2257947086	VBYVNZPBJHKURE-CYBMUJFWSA-N	245.410	4.832	0	10	BJAE	
CCC[C@H](CC)[C@H](N)Cc1ccccc1C(C)C	2259445597	BJWTXHYOJQVQFI-WMLDXEAASA-N	247.426	4.506	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@@]12CCCC[C@@H]1CC2	2260540442	NZDCOPVPLZWEFH-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@]12CCCC[C@H]1CC2	2260577613	GQQVXOCKPRPZBT-YOEHRIQHSA-N	242.362	4.538	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@]23CCC[C@@H]2CC3)CC1	2260669543	IFRIZDOURRXJJJ-QBPKDAKJSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](C[C@@H]2CC=CCC2)C1=O	2261437504	BHYNDWXYMOYVIE-ZIAGYGMSSA-N	248.410	4.764	0	10	BJAE	
CC(=CC[C@@H]1C[C@H](C)C[C@@H]1O)CCCC(C)C	2300862642	GQMGLWVQWVFBIH-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CC=C(C)CC)NCC	2300907527	TZNXDIPYDCZZGV-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCC[C@@](O)(CC1CCCCCC1)C(C)(C)C	2301138048	PWGRYPZXDGSVLN-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C1(C)CCCC1	2301148008	PMBWDSMQRZTNGI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@@](O)(CC2CCCCCC2)[C@H](C)C1	2301236113	JSPWIMDZQPNCQR-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
N[C@H](CCCC1CCC1)CCC1=CCCCC1	2301908643	URVPPLLQYMPESP-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC1(NC[C@@H]2CCC(C)(C)C2)CCCC1	2302674855	FQUIBLNEHCSQPW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@@H]1CCC(C)(C)C1	2302688839	AQFHSNHTAXOZFY-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCC[C@@H]2C[C@H]12	2302991949	RXJINJVEHFTCRS-UGUYLWEFSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@@H]1CC[C@H]1C(C)(C)C	2303508683	QQTGFPLVTHMTMQ-WOSRLPQWSA-N	240.431	4.636	0	10	BJAE	
CC(C)(F)[C@@](C)(F)CCC=Cc1ccccc1	2307745235	VUWJOUBGEQLTGQ-HNNXBMFYSA-N	238.321	4.956	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)C(C(C)C)C(C)C	2307825886	GKPYNLLYLBJSJA-HOCLYGCPSA-N	241.463	4.848	0	10	BJAE	
CCC[C@H](CC)C[C@H](C)[C@@H](C)CNC(C)(C)C	2307826832	RAWNGLSZVDNDDE-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1(C)CCCCCC1	2307830464	CGIBVFSQJUTUAF-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](N)c1cccc(C)c1	2307897510	BYGUWHCRGNMFRW-GOEBONIOSA-N	233.399	4.601	0	10	BJAE	
N[C@H](CC1CCCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309182564	SHLJOILEJVZJDG-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)CC[C@@]12CCC[C@@H]1C2	2310382926	SYISIVPAAQIVEK-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](O)(CCC[C@@H]1C[C@@H]1C)c1ccccc1	2310436725	VFWYUSXAPPJLPX-ZMSDIMECSA-N	246.394	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2310893283	PQBKRNXSIQFOPG-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@H]2CC[C@@H]3C[C@H]23)CC1	2310926024	XWNBDFOLLSAZCB-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2C[C@@H]3CC[C@H]2C3)c1	2311331368	OBJJAZKVGSSNTL-HACGYAERSA-N	241.378	4.555	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1C[C@H]1C1CCCCCC1	2313705816	WXBSVHPLZHYNEY-UHOFOFEASA-N	248.410	4.598	0	10	BJAE	
Cc1coc(CNc2cc(C(C)C)ccc2C)c1	2315889977	YBDVXAOCBWOYBH-UHFFFAOYSA-N	243.350	4.632	0	10	BJAE	
CCC(CC)CC[C@H](O)c1cc(C)cc(C)c1C	2316242707	HKLBQTNNCOZNKH-KRWDZBQOSA-N	248.410	4.862	0	10	BJAE	
CCC(CC)CC[C@@H](CNC)c1cccc(C)c1	2316270838	JPNQVLDIOKRWCT-KRWDZBQOSA-N	247.426	4.514	0	10	BJAE	
CC(=CC[C@H](N)C1CC2(CC2)C1)CCCC(C)C	2316502949	NNNCZRVKADRZLZ-INIZCTEOSA-N	249.442	4.667	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1ccccc1CC(C)C	2316505136	XQDCAKFUVYOCHA-QGZVFWFLSA-N	246.394	4.665	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CC1	2316880547	XXVAYHRMQDZWIE-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CNC[C@@]1(CC2CCCCCC2)CC=C(C)CC1	2317000527	DCXQFEBRASKBPP-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H](C)[C@@H](C)C(C)C)cc1	2317829269	YDFPVXULVIWHEI-GRDNDAEWSA-N	248.410	4.772	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@H]1CC[C@@H](C)C1	2317907403	PTAZOBXITNGSMK-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CCCC1=CCCCC1	2318546681	VIBVAPCXGUCSBN-DLBZAZTESA-N	249.442	4.955	0	10	BJAE	
C1=C(CCCN2CCC[C@@H]3CCC[C@@H]32)CCCC1	2318576525	QAYNLHSOWXVADD-IRXDYDNUSA-N	247.426	4.532	0	10	BJAE	
C[C@]1([C@@H](O)CCCC2=CCCCC2)CC=CCC1	2318593928	ZRNBEIKJOTUMSP-IRXDYDNUSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@@]12CCCC[C@@H]1CC2	2318933880	QWHQXTHUOJBEIU-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)CC12CCC(CC1)CC2	2318943877	KSPXHGXVFSOPBA-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC[C@@H]1CC[C@H]1C1CC1)CC1CCCC1	2319740310	KQXDRPLVLKAJNP-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@@H]1CC12CCCC2	2320321354	YSOOSIOZDJRTRS-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC1CCCC1)C[C@H]1CCC(C)=C(C)C1	2320389390	ZTFACHVWHOGAQC-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@H](N)Cc1cccc(C(C)C)c1	2320665879	MGDUVKZOMIDEDK-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
CC1=C(C)[C@@H](NCC[C@@H]2CCC(C)(C)C2)CCC1	2321607324	DRGVZFSNKKJPIH-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCC3(CCC3)NC2)C1	2321630407	HCMISDFISQGFBA-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(N)C[C@H]2CC[C@H]1C[C@@H]2CCCCCC1CC1	2327774286	QBKWOMPRILTWJG-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(N[C@H](CC)C[C@H](C)CC)c1	21023314	AGZSBZXTWPFYBB-UKRRQHHQSA-N	233.399	4.876	0	10	BJAE	
CCCC[C@H](N[C@@H](C)CCC)c1ccccc1	37189509	BACDXOGEYADEMY-HOCLYGCPSA-N	233.399	4.696	0	10	BJAE	
CCN[C@H](CC1CCCC1)c1ccc(C)c(C)c1	37864755	UWGYAJYZKISGGQ-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
C=CCCCc1ccc(-c2ccccc2)s1	59509780	OJBDOWOHCPMXEL-UHFFFAOYSA-N	228.360	4.924	0	10	BJAE	
CSc1cccc(N[C@@H]2CCC[C@H](C)CC2)c1	86878112	GTYRWDIYFRCKQC-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
Clc1cc2c(s1)CC[C@@H]2Nc1ccccc1	88116817	VTXHSGCWFJFAAV-NSHDSACASA-N	249.766	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCC[C@@H](CC)CC1	88296812	RLSJKAWVXZOZOW-CAOSSQGBSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)[C@H](C)Nc1snc2ccccc12	90869193	SBNBXTFDXASWFY-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
CCCCCC[C@H](NC)c1ccc(CCC)cc1	97468232	XXVPGAIEHHCNJV-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)c1ccc(CC)cc1	103935279	OMVHFQWWVOCVSA-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
C=C=C(c1ccc(Cl)cc1)C(C)(C)C	106488960	FWJQEBXWKQHFMY-UHFFFAOYSA-N	206.716	4.554	0	10	BJAE	
CCCCc1ccc(CCCC(=O)C(C)C)cc1	107478939	RJARFDDQFPCNRK-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CCC[C@@](CC)(CNC(C)(C)C)c1ccccc1	110210088	BHFPEPYMPWVFKR-KRWDZBQOSA-N	247.426	4.523	0	10	BJAE	
O=C1CCCCC[C@H]1CCCCc1ccccc1	122112404	ZKMARNKTTXSCKM-INIZCTEOSA-N	244.378	4.549	0	10	BJAE	
Cc1oc2ccccc2c1[C@@H](O)CCC(C)(C)C	123755509	HXKIPKXCXBHOJZ-ZDUSSCGKSA-N	246.350	4.601	0	10	BJAE	
N[C@H](c1ccc(C2CCC2)cc1)C1CCCCC1	133116775	CHFDJRVKNUQLEW-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CCCN[C@@H](CCC)c1ccc(C2CCC2)cc1	133140502	XIROJLSHDXLGAI-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CC(C)[C@@](C)(CNC(C)(C)C)CC1CCCC1	164418322	CAXAPBZIFQUHND-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C/C=C\CCNC(C)(C)C	211788048	PAKGYSABQPWSAM-FJVVXJACSA-N	239.447	4.927	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1C[C@@H](C)CC[C@@H]1C	221687374	CPLHRPYPBCFUOY-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@H](C)c1ccccc1	226004746	DXSSHJXQHNLYBH-DOTOQJQBSA-N	247.426	4.739	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@@H]1CCCCC1(C)C	226825088	KMIWSPXWKLQRJZ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc([C@@H](N)C[C@H](C)CC(C)(C)C)c1	228846722	IJVGFMFEYYTGCT-BBRMVZONSA-N	247.426	4.711	0	10	BJAE	
CCCCC1CCC(CO)([C@H](C)CCC)CC1	232926046	AOAKQZNLCRUUQA-QQFBHYJXSA-N	240.431	4.782	0	10	BJAE	
CC[C@@H](c1c[nH]c2c(F)cc(F)cc12)C(C)C	233992710	YTBCXKWUWJYZNX-SNVBAGLBSA-N	237.293	4.596	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H](C)CC)CC1	251333491	LMXQELFRKYXUQZ-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1[C@@H](NC(C)(C)CC(C)(C)C)CCC[C@H]1C	251789437	LMMHGIKBXYEGLW-RDBSUJKOSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(N=Nc2cc(Cl)ccc2O)cc1	254372617	SWHIKJIMGBQIDU-UHFFFAOYSA-N	246.697	4.769	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H]2CNc3c(Cl)cccc32)C1	300261713	ORSXEZCXFWHANA-NTZNESFSSA-N	249.785	4.675	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)CCCC(C)(C)C	300780471	BDVPSOHOOBXTJG-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](CNC(C)C)C(C)(C)C	302334271	LGIBESPEOGNJAL-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](Nc1ccc(C(C)(C)C)cc1)C1CC1	302553813	WFCPUJULFQIYMZ-MRXNPFEDSA-N	245.410	4.975	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CCCC(C)(C)C	308052691	GZLZRBSIIKKRQC-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)c1sccc1C	308082578	RTIJBDQEBKGPOF-CHWSQXEVSA-N	239.428	4.519	0	10	BJAE	
CCC1CCC(O)(C[C@H]2CCC[C@@H](C)C2)CC1	310113149	GFFMISYRGXNUKG-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)N[C@H](CC)c1cccc(C)c1	310234737	RCXVVYZGWAGISJ-GDBMZVCRSA-N	233.399	4.614	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](CC)c1cccc(C)c1	310234742	RCXVVYZGWAGISJ-ZBFHGGJFSA-N	233.399	4.614	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCC[C@@H](C)C1)NC(C)C	310415951	NATUGGZIWBKRQL-BZUAXINKSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2CCc3cc(N)ccc32)C1	310767982	OHXGRWRSGFEMGF-MCIONIFRSA-N	243.394	4.515	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1ccsc1Cl	312559245	BCDAUHCAXIFXFL-LLVKDONJSA-N	245.819	4.631	0	10	BJAE	
CC[C@H](C)CC1(CNC(C)C)CCC(C)CC1	317485178	FAQSGVVSHWWVMI-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)[C@H](C)[C@@H](C)CC	319475628	ADUORSYHTCJVGB-BYNSBNAKSA-N	241.463	4.719	0	10	BJAE	
Cc1cc([C@H](C)NCC2=CCCCC2)c(C)s1	379573277	UQZWOBFYTPYHLQ-LBPRGKRZSA-N	249.423	4.516	0	10	BJAE	
C/C(=C\CCNCC(C)C)C[C@H](C)CC(C)C	379626917	HIULOSIMQMCRTJ-WPBGYSLVSA-N	239.447	4.641	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC[C@H](C)C1CCCCC1	380039583	RKWRUESTOGURIO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC1CCC(C)CC1)NCCC	380099350	WXWKUPGGBDLSPG-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CC1(CCN[C@H]2CCC[C@@H](C3CC3)C2)CCCC1	381265821	QIXPMNBBUNOYJM-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)C[C@@H](C)CC(C)C	382678439	CYJPMNSDMKUZRE-MZLJFPOFSA-N	239.447	4.783	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)CC1CCCCC1	386599822	KYWCTAGAIRWUDZ-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CNC/C(=C\[C@@H]1CCCC[C@@H]1C)C1CCCCC1	394786615	JSTCBDATMGWGSX-BIZBRERQSA-N	249.442	4.539	0	10	BJAE	
CSc1cc2c(C)cc(C(F)F)cc2s1	396414354	ZXJIMHSYFQZEHF-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
O=C(CCC1CCCC1)C[C@H]1C[C@H]2C=C[C@H]1CC2	402219163	RPDAXDNTLMUBRG-HRCADAONSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@H](Nc1ccc2c(c1)CCCC2)C1CC1	404631061	GUPIHDNFZAJDFJ-QGZVFWFLSA-N	243.394	4.556	0	10	BJAE	
CCCC1CCC([C@H](N)CCCC2CC2)CC1	406058937	LPWCETICEWDBQL-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@@H](C(C)C)CC[C@H]1C	585669481	QCPPKCNNDKRBCG-FXUDXRNXSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1C[C@@H](C)c2ccccc21	686308689	HAYYUFMBEJJQLB-CZUORRHYSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)CC1(C)CC1	688399306	UKEXTVNCWLJNKW-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@H](C)[C@H](C)c1cccc(C(C)C)c1	688971104	KQNOOXOJWSACTJ-GJZGRUSLSA-N	247.426	4.549	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H]1CCCC12CCC2	690118032	OWKWBPSFQJJOBP-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CC12CCCCC2	691175434	JPWXKGFTOMUCGD-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCC(N)(CCC)C[C@H](C)C1CCCCC1	704921940	NRZSGEPMHCPMRO-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@](N)(C[C@@H](C)C1CCCCC1)C1CC1	705325916	RVSWMNLIVFWTIL-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CC[C@H](C)c2ccccc21	713169149	NBCVFRBTPMUTHQ-SUMWQHHRSA-N	246.394	4.598	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@@H]1CCCC2(CC2)C1	713314604	NCZSYIHHJCNBBX-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H]2CCCC[C@@H]21)C1CCC1	714321801	IDBSGUOMNWOJOS-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCc1ccc(OC2CC2)cc1	718649734	WOHBQZVZUDVUAR-UHFFFAOYSA-N	230.351	4.517	0	10	BJAE	
CC(C)=C(C)CCCc1ccn(C2CCCC2)n1	718667967	JGNVFJFQFCWJEI-UHFFFAOYSA-N	246.398	4.677	0	10	BJAE	
CNC[C@]1(CCC(C)=C(C)C)CCCC[C@H]1C	718739744	OGQXFKCLIGSFSG-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCc1ccc2[nH]c3c(c2c1)CCCCC3(C)C	719292427	DLPKNHPZJBUXOR-UHFFFAOYSA-N	241.378	4.734	0	10	BJAE	
CCCCC[C@H](CC)NC1CCC(F)(F)CC1	1258431279	ZDFONCMIADQRFG-LBPRGKRZSA-N	247.373	4.513	0	10	BJAE	
C=C/C=C/CCN(c1ccc(CC)cc1)C(C)C	1460196299	QQMGDSXNGJWBPT-BQYQJAHWSA-N	243.394	4.596	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1cccc(C)c1F	1474086602	SNRFRLCNHFHBRH-TZMCWYRMSA-N	247.357	4.538	0	10	BJAE	
CC1=CCCCCC(=O)C[C@H](c2ccccc2)C1	1534905435	IQVLHFRCERRWLV-MRXNPFEDSA-N	242.362	4.640	0	10	BJAE	biogenic
CC(C)C(CN(C)C[C@H](C)C(C)(C)C)C(C)C	1653075188	ABECZLLMYSDSAF-AWEZNQCLSA-N	241.463	4.529	0	10	BJAE	
CC=CCCCc1cc(C(F)F)cs1	1885361074	FQGBZPXFXFZXIB-UHFFFAOYSA-N	216.296	4.585	0	10	BJAE	
CCC(CC)c1csc(C(F)F)c1	1889470361	QBKNAAZPKVBLRV-UHFFFAOYSA-N	204.285	4.589	0	10	BJAE	
CCN[C@H](CCC(CC)CC)CC(C)(C)C	1900695574	HCEMHBNYHSSHAZ-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)[C@@H](C)C(C)C	1901668526	RGMRCPXKEUBPHX-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](C(=O)[C@@H](C)[C@@H](C)C(C)C)C(C)C	1901721432	SUQNDOXXTHEORS-IHRRRGAJSA-N	226.404	4.556	0	10	BJAE	
CCc1ccc(NC[C@@]23CCC[C@@H]2C3)cc1Cl	1909359819	BGNKKXPNIRCFPT-DOMZBBRYSA-N	249.785	4.505	0	10	BJAE	
CC(C)NCC1(C2CCCC2)CC2(CCCC2)C1	1912578089	CWBSKXHJQYCOFU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC2CC3(CCCC3)C2)C1	1912729213	HRDLOXCPBJXQBS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](N)[C@H](C)C2CCCCC2)c(C)c1	1924135239	JAXPYZSUFFCFOM-RHSMWYFYSA-N	245.410	4.520	0	10	BJAE	
CC(C)CCCCC=C1[C@@H](CN)CCC12CCC2	1924922489	UQXPJGOBLYJWCC-OAHLLOKOSA-N	249.442	4.668	0	10	BJAE	
CCO[C@@H]1C[C@H](C[C@@H]2C=CCCCC2)C1(C)C	1925823047	COWVBBCMOKFMDO-QLFBSQMISA-N	236.399	4.574	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@H]1C=CCCCC1	1925886237	CBKDBDNSQGNJAA-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C[C@@H]1C=CCCCC1	1925898845	RPYTWYSKAKQWNT-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1C=CCCCC1	1925931064	WZFVXOQELMFQIA-HNNXBMFYSA-N	243.394	4.968	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)c1sccc1C	1937270415	WLGCVKBNPVFAMQ-YPMHNXCESA-N	239.428	4.533	0	10	BJAE	
CC[C@H](CC(=O)c1cscc1C)C(C)(C)C	1938805658	YKLINDUZWRQPCP-LLVKDONJSA-N	238.396	4.702	0	10	BJAE	
CCCC[C@@H](CC)CCC1(CO)CCCC1	1939542177	IMQDZFHDOKOZLQ-CQSZACIVSA-N	226.404	4.536	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1CC1(C)C)C(C)(C)CC	1940878761	VKWGUZFXBVRTIO-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@@H](O)CCC[C@@H]2CC2(C)C)CCCC1	1940883410	NXIBPANTFVIBHI-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](C)(F)c1cccc(N)c1	1940981187	GYNCMYRPOUYCET-DOMZBBRYSA-N	237.362	4.526	0	10	BJAE	
CN[C@H](CCCCCC1CC1)C1(C)CCCC1	1941583968	KOBKXCSKHLGRDT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1scc(C(=O)CC2CCC=CCC2)c1C	1941794705	ZCBNBARHESVSQZ-UHFFFAOYSA-N	248.391	4.684	0	10	BJAE	
C[C@H](C[C@@H](N)CC1CCC=CCC1)C(C)(C)C	1941795089	GGDJULSCDXBBIE-UKRRQHHQSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944173970	DKVSZLAEWXFIOM-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944206357	XVTCVBGNVRHQSX-WDNDVIMCSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)CCCC(=O)C1(CC(F)F)CCC1	1946573022	KDFKDMUBSUCPAN-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)CC(C)(C)F	1947083787	LGIUEUGIIDRQKP-ZDUSSCGKSA-N	245.426	4.709	0	10	BJAE	
CC(C)(CCNC(C)(C)C)C[C@H]1C=CCCC1	1947584350	FYAYLBJGAJTELA-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)[C@H](C)CC(C)C)C1	1948328927	XLKHVDRLHIAIRA-FPCVCCKLSA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)CCCC[C@H](N)CC1CCCCC1	1949913301	AEOHGEUOROHVFZ-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCc1cc(N[C@H](CC)CC2CC2)ccc1C	1950100330	MPJGJNBEZXPNLF-OAHLLOKOSA-N	231.383	4.548	0	10	BJAE	
CCC(C)(C)CC[C@H](N)CC12CCC(CC1)C2	1950959526	DYVCLMJTPLHBEY-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC(=O)c1cc(Cl)cc(Cl)c1	1961406147	IPBOFMBJSHBSDP-UHFFFAOYSA-N	243.133	4.532	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H]1CCCC2(CCC2)C1	1969918191	OBZOIKFCXJHFRQ-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCC(C)(C)C[C@H]1C	1973163970	MPWPDZGSVDLZIM-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](C)(N)CC1(C(C)C)CCC1	1989460040	AMNCPJMBIXSTFW-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1CCC[C@H](C)C1	1990090012	UJJCEGFYDBOZOD-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC(F)=C(C)C	1990124661	BGDYFWBIMXRWBV-ZDUSSCGKSA-N	229.383	4.541	0	10	BJAE	
CC[C@@H](C)Cc1coc2c(Cl)ccc(F)c12	1995463551	LMMKOTDMPRMTIR-MRVPVSSYSA-N	240.705	4.814	0	10	BJAE	
CCCN[C@H](CCC)C[C@H]1CCC=CCCC1	1999990077	GXIIBWLSLBBZNS-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)C(O)(C[C@@H]1CCC=CCCC1)C(C)C	2000000586	DMFBLAIJYMNDSH-OAHLLOKOSA-N	238.415	4.556	0	10	BJAE	
CCCC1([C@@H](CCCC2CCC2)NC)CCC1	2000334442	FFPWYBGZWDPGAO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](C)(CNCC)[C@@H]1CCC[C@@H](CC)C1	2000521603	WQWNDSRNWPGOKX-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC1(N)CC2(CCCCCC2)C1	2000670183	MCVAEYXPYWRPRS-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)C1CC(CC)C1	2002336021	QASYYJFTHODRRV-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)[C@@H]1CCCC(C)(C)C1	2002971699	IERHBRUMDDHDSN-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)C[C@]1(CO)CCCCC12CCC2	2005579036	GEJNYZVPMNQVSG-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CO)C[C@H](C)CC(C)(C)C	2005583310	NHVIKTUITNTVAK-YCPHGPKFSA-N	240.431	4.638	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)C1(C)CCCCCCC1	2006719977	YSZRZXSJKWJVEW-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC1CCC(C)(C(=O)[C@H]2CCC(C)(C)C2)CC1	2007681954	SPKDGNUIBXTTTC-UYJPIKCFSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)CCC2CCC2)CC1	2007694861	IKCPGUXTARNMBI-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(C)([C@@H](O)CCCC2(C)CC2)CC1	2007694881	UYLLYTQVNIQBGX-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@H](C)CC(C)(C)C	2007947221	QSOWLSMAUYKSGZ-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H](CC)C(C)C	2009616281	HPIOPGXZRBTKNN-HKFHSAMXSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H]1NCC[C@@]1(CCC)C1CCCC1	2009766959	CACZULRETBFGES-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](NCC)CC(C)(C)C1	2012062443	POACUPZIVZVWBB-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C[C@@]1(O)CCC[C@@H](C)CC1)C(C)C	2015284902	ROOGDINWPYQZHE-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(OCC(C(C)C)C(C)C)c(C)c1	2015382428	BTCNYCAPVPMBEX-UHFFFAOYSA-N	234.383	4.610	0	10	BJAE	
CCCN[C@H](CCC[C@@H](C)C(C)C)C(C)(C)C	2015409239	PCTZTGYVHBZQIX-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@H](C)C[C@](C)(N)[C@H]1CCCC(C)(C)C1	2015410860	DWBMADSTAAHEDN-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CC1(C(C)C)CCC1	2017116063	FRUOHNRPQNROGG-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCNC[C@]1(CC(C)=C(C)C)CCC[C@H](C)C1	2017465101	DNCAOSWYQYCIPO-GOEBONIOSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@@H](O)C2CCCC2)CC1	2017713676	BBASRMSSJXRYJF-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@]2(C)CC[C@H](O)C2)CC1	2017714454	GPPRABLBLZOUBR-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2CC=CCC2)CC1	2017768182	PXFRPIVUEDAWRN-NRXISQOPSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@](C)(O)C[C@H]1CC[C@H](CCC)CC1	2017774717	RWCLLRCWWZHNHO-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(CC(=O)[C@@]2(C)C=CCC2)CC1	2017777617	GXRXEIVRZHRPFN-XUJLQICISA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H]1CCC2(CC2)C1	2018128190	WUTVNMMDSVCPAK-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)CN(C)CCC[C@H]1C[C@H]1C	2019195234	FYCGZQFFCXJEOI-PMPSAXMXSA-N	239.447	4.571	0	10	BJAE	
O=C1CCCCCCC[C@H]1[C@@H]1C=CCCCC1	2019537290	RGXMDZFXHZHWBL-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CCC=CCCC1)C(C)(C)C	2019852140	IKQVLBGDQOEHJI-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCC(C)(C)[C@@H]1NC	2020363047	FWTXWTZNRBFLDH-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCN(CC1(C)CCCCC1)C1CCC1	2020637336	LVCXXDQXWHCXIK-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)CCC2(C)CC2)C1	2024100848	GEYJXTUGQUAULP-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H]1CCC(C)(C)C[C@@H]1CC(C)(C)CC	2024122844	JYYVRZMCESDWKA-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1cccc(C[C@H]2C=CCCC2)c1	2024450878	KXJZCOJWLQRVJA-AWEZNQCLSA-N	228.379	4.883	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCC2CCCCCCC2)C1	2025588586	VGDYHJLFAHEONH-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CCCC(F)F)NC	2026165802	FCLWPJVCWOBGHP-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCc1ccccc1[C@@H](O)CC1(C)CCCC1	2027896897	GAQWKVRLPKBYAY-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
C[C@H]1C[C@@H]([C@@](C)(F)c2ccc(N)cc2)CC[C@H]1C	2027935447	GZMOPGCATFUPGY-DSPQJCBJSA-N	249.373	4.526	0	10	BJAE	
CN[C@H](CCC(C)(C)C)c1cccc(C2CC2)c1	2028548763	GPZXZCHNRMACDI-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1ccccc1C1CCC1	2029072435	XGMGKAYEYIZKPS-TZMCWYRMSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CCC[C@@H]1NC[C@@]12CCCC[C@H]1CCC2	2031808370	KXLPOMHSYDTDNR-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC(C1CC1)C1CC1)C1CCCCCCC1	2032162991	CAHPXSWIMKIODC-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC(=C2CCNC[C@@H]2CC(C)C)C1	2032489658	GLMLKCLTOLUTNO-ZBFHGGJFSA-N	249.442	4.539	0	10	BJAE	
CC=C[C@H](C)N[C@@H]1CCCC[C@H]1C1CCCCC1	2034975837	AYUFGNFPCQRMRJ-BHYGNILZSA-N	249.442	4.680	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCCC1CC2(CCC2)C1	2038097384	VSRYLXMLVHYPNK-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H]1CCC[C@@H](C)CC1	2039367478	VWWBZZNUEDHASJ-ZACQAIPSSA-N	249.442	4.703	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(N)C23CCC(CC2)C3)C1	2039871813	HTIDUBMPOHTFIV-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
c1cc(C2CC2)ccc1NC1[C@H]2CCC[C@H]1CC2	2042049996	MCEBRULJCNWHLU-GJZGRUSLSA-N	241.378	4.555	0	10	BJAE	
CCCN[C@H](C1=CCCC1)C1CC(C(C)(C)C)C1	2043001789	JYDCNWBLCRQSCD-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CC(C(C)(C)C)C1)c1ccc(N)cc1	2043005518	WOUOJLHUYYXYBF-DNOWBOINSA-N	245.410	4.835	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(N)C2CC3(CCC3)C2)C1	2043540257	JEAJVYJJFDENMX-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H](C)C2CC3(CCC3)C2)CC1	2043547022	MOOIKSOPDQGQML-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](n2ccc3cc(F)ccc32)C1	2045454259	HJLYILPBTYEWDG-AWEZNQCLSA-N	245.341	4.922	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C1(C(C)C)CCC1	2045813484	QKCMRPXKULJVSY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1CC(C(=O)C[C@H]2CC23CCCCC3)C1	2047065154	KVOBCPQGYJYPGG-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1=CCCC1)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047427358	NQGWIRNPXCMUOJ-BZUAXINKSA-N	246.394	4.662	0	10	BJAE	
C1CCCC(N[C@@H]2C[C@H]3CCCCCC[C@@H]32)CC1	2047435803	AAIZVCSRFVNIBH-HYVNUMGLSA-N	249.442	4.658	0	10	BJAE	
CCNC[C@@]1(CC2CCCCC2)CCC12CCC2	2047944206	XAJMQMSMBYQYCT-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@@H]1CCC2(CC2)C1	2049867868	XXRKWXXVODBHEK-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@@]2(C)C=CCCC2)cc1	2049998463	VQRLWSNJCRMCSV-SJORKVTESA-N	244.378	4.590	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@H](O)c1ccc(C)cc1	2050442553	WYTGHQDFJWUOSB-OIISXLGYSA-N	246.394	4.635	0	10	BJAE	
CN([C@@H]1CCC(C)(C)C1)[C@@H]1CCCCC12CCC2	2053434633	VAFIBDGKKSJRAL-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@@H](C1CCC1)C1(C)CCC2(CC2)CC1	2056557269	RTUYKDSQCGXTHX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CCC1)C1(C)CCC2(CC2)CC1	2056558078	BEMVKFPOEZNSPS-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](O)c1ccc(CC(C)C)cc1	2059222467	ZWBZGKKYHMUTFT-QGZVFWFLSA-N	246.394	4.665	0	10	BJAE	
CCCC1CC(Nc2ccc(C3(C)CC3)cc2)C1	2059397413	KFQIKWVYTZEVKE-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@@H](C)C1CCC1	2060920824	HHWBOZYPMCTTFQ-ZQIUZPCESA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)CC1CC(=C2CCC2)C1	2061680494	XOJJOBOOFHYVKV-CYBMUJFWSA-N	249.442	4.633	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNc1ccc(C2(C)CC2)cc1	2062641486	JOUWETGHERBEHL-KBPBESRZSA-N	243.394	4.586	0	10	BJAE	
CCCNC[C@]1(CCC[C@@H]2C[C@H]2C)CC=CCC1	2062646968	PZAGAMLCOUPFLZ-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063517688	WBKUJIZETWLNMK-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
O=C1C[C@@H](C[C@@H]2C=CCCCC2)CC2(CCC2)C1	2063727565	XICYBRAGSQFLQD-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CCCC1CCC(N)(CC23CCC(CC2)C3)CC1	2065335120	LNILUMDRCIZGRO-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)C[C@H]1CCC=CCCC1	2068271807	ORWYRAXGWHQRPS-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](Nc1ccc(C2CC2)cc1)[C@@H]1CCC1(C)C	2068288085	QDXIGOYVFLOTBQ-WBMJQRKESA-N	243.394	4.801	0	10	BJAE	
C[C@H](CC(=O)C1C[C@H]2CC[C@@H]2C1)C1CCCCC1	2068723457	MQPUUXPHUSBPCC-BPLDGKMQSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H](C)C[C@H](C)C(C)C	2069008077	DYWOUPZHHIPOGA-ZOBUZTSGSA-N	247.426	4.656	0	10	BJAE	
CN[C@H](C[C@H]1CC12CCC2)C1(C)CCCCCC1	2069204485	QGPPQUAGLCYSFO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CC[C@H](N)C1(CC2CCC2)CC1)C1CC1	2069585857	XWPXVUYJVJMFLE-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2C[C@@H](N)C23CCC3)CC1	2072816444	VJWACTLHZWFKQL-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@]23CCC[C@H]2C3)CC1	2072878771	PNTMAHJZZVBKDA-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(N2Cc3ccccc3[C@@H]2C)CC1	2074859165	IIOSMRFDGWEPBR-HLIUYOAVSA-N	243.394	4.532	0	10	BJAE	
CCCCc1ccc(-c2ccc(O)c(C)c2)cc1	2077931467	YUOLNPMABAQNCT-UHFFFAOYSA-N	240.346	4.710	0	10	BJAE	
CC=CCCC[C@H](N)[C@H]1C[C@H]1C1CCCCCC1	2079426361	ALEACHQSXAAHTB-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2081117302	CEJMYTSLBSNEGK-MZBWOGCUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1[C@H](C)CCC[C@@H]1C[C@@H]1C=CCCCC1	2082838374	RDMPPLRCUZAKQE-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C23CCC(CC2)C3)C1	2082980988	ZSIDUOWCWFMTBR-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
CCNC[C@@]1(C[C@H]2CCCC(C)(C)C2)C=CCC1	2082985986	JXUOCJYUPGPZSD-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCCNC23CCCCC3)C1	2083815438	FSZIZGXYDKPQMX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CN[C@H]1CC(C)(C)C1(C)C)C1=CCCC1	2084357552	FUYSWLDEYJZCTB-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CCCCCCC1CC1)[C@H]1CCCCN1	2213571105	DIBUTQLBAKJIGO-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C(=O)CCCCC1CC1)C1CCCC1	2214551422	GASZRTRQDZPLDH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(CC[C@@H](N)C2CCCCC2)CCCCC1	2214777942	QZELZVMBGHAEKK-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@H]2CC[C@@H]2C)CC1	2215058438	CPOYWAJANGJJSJ-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC[C@H]1CC(=O)C1(C)CCC(C)(C)CC1	2215105926	QKXIFZUBHWEJPB-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1CC)C(C)(CC)CC	2215253036	OCJZCGQMGPPIBB-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1=CC[C@](C)(C(=O)c2ccccc2Cl)CC1	2215824058	PGCSBTMSDPVVQA-HNNXBMFYSA-N	248.753	4.659	0	10	BJAE	
CC[C@@H](C)C[C@]1(CNC(C)C)CC=C(C)CC1	2215827326	VETJOYLTUABSMX-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@](C)(O)CCCCCCCC1CC1	2216893421	KZRGEJKRYRXDDM-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@]1(CCCCCCCCC2CC2)CCNC1	2216894809	NBVLNCWJGYJYHQ-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CC[C@H]1CC[C@@H]1NCCCCCCCC1CC1	2216899230	UDLXSZHQZKPHAY-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@]1(CNC2CCC2)CCCC(C)(C)CC1	2217125637	QWTLANDJSCALLB-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NCC1(CCC2CCCC2)CCC1	2217149484	UWLAWGBFEYRHJZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NC)C1C[C@H]2CCC[C@H](C1)C2	2218345283	DCLIHYGXTMFJJA-DENLODQCSA-N	249.442	4.537	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218355904	HRURWEYYMIVNJX-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CC(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218375304	UMVRZIVWAULHHU-OQVSOFDRSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(F)c(F)c(C/C=C/c2ccccc2)c1	2219075203	ZRIXHGLKWDZLQI-VMPITWQZSA-N	244.284	4.529	0	10	BJAE	
CC(C)[C@@H]1CC=C(C[C@@H](N)C2CCCCC2)CC1	2220300770	GNJGREXTVVJROY-NVXWUHKLSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CC2(C)CC3(CCC3)C2)C1	2221013411	JTNRRZKBDLLFFP-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@@H]1C)[C@]1(C)CC=C(C)CC1	2221629139	YPEUJJQYAFTLQC-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)NCC1([C@@H]2CCCC[C@@H]2C)CC=CC1	2223541955	NFFNKEOWZMYLOX-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CC2(C)C)CC=C(C)CC1	2223588793	JIFPMDDRCUFMRT-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@H](O)c2ccc(C3CCC3)cc2)CC1	2223681433	PGCCAQOFTCIEQE-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1(C)CC(C)C1	2242704297	LTSDNOWRQXIXKF-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@](C)(N)C2CCCC2)C1	2246681030	UFOVIWFEHSUGEF-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC[C@H]1CCC[C@H](C)C1	2246690473	AXQJJKIHABHGDN-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCC[C@@](O)(CC[C@H]2CCC[C@@H](C)C2)C1	2246690520	DXHQMSZPLLTGAH-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)CC1=CCCCC1	2247524493	IBNCQUNLQMHBSP-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)C[C@H](N)CCCCC[C@@H]1C[C@@H]1C	2248839923	DOBUKGGDHVQKMK-NUEKZKHPSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@](C)(O)CCCCC[C@H]1C[C@H]1C	2248869985	KVMYKNFTRAEQKC-OWCLPIDISA-N	240.431	4.780	0	10	BJAE	
C[C@@H](Nc1cccc(C(C)(C)C)c1)C(C)(C)C	2249260765	WIXVTIIVUSKKOV-GFCCVEGCSA-N	233.399	4.831	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC[C@H]1C[C@H]1C)NCC	2250351402	CLWZLJVPZAMXLE-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C[C@]1(C)CCCN1	2250483174	YMUQWFWZBDFDKG-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@@H](C)C1(C)CC1	2250526672	GGMYJHIYMNAWAX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@@H]1[C@H](N)C(C)(C)CCC1(C)C	2251702678	SRRWOOGXQWWAKO-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)C1)[C@@H]1C=CCCC1	2253792223	XPEAOGMDRZUECV-GMRIPVOYSA-N	249.442	4.537	0	10	BJAE	
CCC(=O)[C@@H](C)CCC12CC3CC(CC(C3)C1)C2	2253902874	BPIQNPCMDDPBPV-ORVZXPRGSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)CC1CC2(CCCC2)C1	2254113927	QXKDCRSZRYXVHL-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN[C@H]1CCCC2(CCC2)C1	2254513636	SPKARZUXZOCCRZ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@H]1CCC1(C)C)CC2	2255029935	VOPXXAGFSNCRSG-CABCVRRESA-N	243.394	4.548	0	10	BJAE	
C[C@H](C(=O)CC[C@H]1CCCC12CC2)C1CCCC1	2255304352	RBUMCVWDQGVIJE-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
c1cc2c(c(OCCCC3CCC3)c1)CCCC2	2257471714	QZJRZYQWVHLFTN-UHFFFAOYSA-N	244.378	4.525	0	10	BJAE	
CCCC1CC(Nc2cccc(C(C)(C)C)c2)C1	2257905575	IHAUPYWIVBSHQZ-UHFFFAOYSA-N	245.410	4.975	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cc2cccc(C)c2o1	2259435224	ARKFXUYZNMKBDI-LBPRGKRZSA-N	244.334	4.750	0	10	BJAE	
O=C(C[C@]12CCC[C@H]1CC2)C1CCCCCCC1	2260581271	YZSSWICFJYRDKE-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CC(C)CC[C@](N)(C[C@@]12CCC[C@@H]1CC2)C1CC1	2260667775	DBQOHYXQULAIJS-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@@]12CCCC[C@@H]1CC2	2298697171	VRPRPDVGNGHAEF-IIAWOOMASA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@@]12CCC[C@@H]1CC2	2298707728	VYOKEPROQXZVHW-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCN(C1CCCCCC1)[C@@H](C)CC1CCC1	2298880167	ZQKSJQNQGZCUNG-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C1(C(C)(C)C)CCC1	2298887176	QTVJDKMLYXRONM-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@](C)(F)c1cccc(N)c1	2300678046	GRRWRGHOLJYMCS-HNNXBMFYSA-N	237.362	4.670	0	10	BJAE	
CCC(C)=CC[C@H](O)[C@]1(C)CC[C@H](C)C1(C)C	2300872388	PHPYUGSKCNLVBC-DZKIICNBSA-N	238.415	4.556	0	10	BJAE	
CC=CC[C@H]1CCCCCCCC[C@@H]1NCC	2300902266	SEMIGSQVYPJVTO-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC=CC[C@H](O)C1CCC(CCCCC)CC1	2300904874	STQOVEUEAPDZCA-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](CCC=C(C)CCCC(C)C)C(C)C	2300927029	RBACZDCTNRUNJT-MRXNPFEDSA-N	239.447	4.783	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1C(=O)CC1CCCCCC1	2301239630	RMURIFYDDHPXRS-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCc1ncsc1-c1ccc(CC(C)C)cc1	2301777197	MPKBPYLNYZRJQW-UHFFFAOYSA-N	245.391	4.571	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)C[C@H]1CCCC(C)(C)C1	2301922213	WUCOMWBHYGJQOM-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CCC(C)(C)C1)C1CCCC1	2302692655	YYHIWSXMXWWXAI-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@@H]1C(C)(C)C	2303393826	VKYLPQMOELMLIL-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CC[C@@H]1C(C)(C)C	2303445932	URDUZXQKCIMTNE-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@@](C)(O)C[C@@H]1CC[C@H]1C(C)(C)C	2303510795	KJBAUNRFGKNYRQ-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@@H]1CCC(C)=C(C)C1	2303516166	MXUIPCWFVWBOME-HZPDHXFCSA-N	237.431	4.668	0	10	BJAE	
CCC1CCC(c2nc([C@H]3C[C@H]3C)cs2)CC1	2307690067	YIYPRGPTOFRIAG-XVSSEFHLSA-N	249.423	4.950	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C)[C@@H](C)CNCC(C)C	2307911632	WXAKWPBQLWRODU-PMPSAXMXSA-N	241.463	4.721	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@H]1CCCC1(F)F	2307923688	LUTZOTOWCQVQPX-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C[C@@]23CCCC[C@@H]2C3)CC1	2311147669	KFHNJGWSXJCNRP-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1C)C[C@H]1C=CCCC1	2311277049	ZQVBRMGKNMGAQE-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1C[C@H]2CC[C@@H]1C2	2313172611	NXEOFULVQATUPL-JVFQJLMCSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]1CCCC[C@H]1C[C@@]12CCCC[C@@H]1CC2	2313333271	HNGRWKRZIGGBGI-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2313345195	FOPFODZVSLUXSG-BIVLZKPYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCCN1[C@@H]1CCC12CCCCC2	2313618937	VHGPFZKEAHPCQX-OAHLLOKOSA-N	249.442	4.754	0	10	BJAE	
CC(=CCN[C@@H]1CCCC[C@H]1C(C)(C)C)C1CC1	2315266785	TYNXIFOELSFTDM-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)C[C@H]2C=C[C@H]1CCC2	2316731052	UVQKBNDYJQRKOR-HWMZRRJGSA-N	249.442	4.523	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317114949	URDLEWCHJPAZJK-ZHCJQAHYSA-N	249.442	4.523	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317126565	IFZIIIKFVLHCAJ-YLFCFFPRSA-N	249.442	4.536	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC(C)(C)[C@H]1C	2318184390	GWPTUXGSNXIVLC-XJKSGUPXSA-N	245.410	4.965	0	10	BJAE	
C1=C(CCCN[C@]23CCCC[C@H]2CC3)CCCC1	2318547723	FKXALPMSGXEAEO-IRXDYDNUSA-N	247.426	4.579	0	10	BJAE	
CC[C@](O)(C[C@H]1CCC(C)(C)C1)c1ccccc1	2319081940	SYSMTSYPHQZTJC-YOEHRIQHSA-N	246.394	4.501	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCCC[C@H]3C[C@H]32)CC1	2319254009	ZLONIJUQALQUTK-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CC[C@@H]2C2CC2)CC1	2319553319	LPZLEBWUFGTXNC-DISOXQEGSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@]12CCC[C@@H]1CC2	2320228393	KBYQPPHSNBVEJY-WBOJAVRRSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(CN)CCC[C@H](C)C2)CC1	2320348637	SERBKOGUYASBBS-XKQJLSEDSA-N	249.442	4.668	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2CCC(C)(C)C[C@@H]2C)CC1	2320411165	IBDFOFKFLRHSJL-ARFHVFGLSA-N	249.442	4.680	0	10	BJAE	
CCC[C@H](CC)CN1C[C@H](C)Cc2ccccc21	2328100037	AYGHXQLDZRKWNC-CABCVRRESA-N	245.410	4.512	0	10	BJAE	
CCCCCNc1ccccc1SC(F)F	20566967	RGJRCJQQZVPSCG-UHFFFAOYSA-N	245.338	4.603	0	10	BJAE	
CC(C)n1c(C2CCCCC2)nc2ccccc21	39907744	FYPVURUOFUVPKW-UHFFFAOYSA-N	242.366	4.665	0	10	BJAE	
CCC[C@@H](N[C@@H](CC)C(C)C)c1cccs1	49541656	AMNIGKSCENTKPR-QWHCGFSZSA-N	239.428	4.614	0	10	BJAE	
C[C@H]1CC[C@H](C(C)(C)C2CCCCC2)C(=O)C1	69405916	UTINABBQZYQQAJ-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H](C)CC)CC1	83780195	RQFZJYNZMSFYHU-HSBZDZAISA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)COc1ccc(C)cc1C	85155026	XUKXTDMETBXSOF-HNNXBMFYSA-N	234.383	4.899	0	10	BJAE	
CCCC[C@H](NC(C)C)c1ccc(Cl)s1	87336813	YVLKLMWTDUESQR-JTQLQIEISA-N	245.819	4.631	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCCCC[C@@H]2C)cc1	88505787	DQWMIJCHMIBFBK-YQQAZPJKSA-N	245.410	4.614	0	10	BJAE	
CCc1c(C)n(-c2ccccc2)c2ccccc12	90415358	JJDQJADHUVTFJK-UHFFFAOYSA-N	235.330	4.501	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H]1CCC[C@H](C)C1	94676449	MXZYFXZBFOQBEI-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1CCC[C@H](C)C1	94984782	KPOPGDDVDVYNCS-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCCCC1(CO)CCC(CCCC)CC1	97148769	OWEBHBZIEXMVAR-UHFFFAOYSA-N	240.431	4.926	0	10	BJAE	
CCCCC[C@H](CCc1ccccc1)NCCC	111726711	DDIAGWOLSVIQJA-QGZVFWFLSA-N	247.426	4.568	0	10	BJAE	
Fc1ccccc1-c1cc(F)c2ccccc2c1	112733542	QWJKSAZWHDEMPN-UHFFFAOYSA-N	240.252	4.785	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](CCC)CC[C@H]1CN	132151680	KCVQCEKNFVZLPG-YHUYYLMFSA-N	239.447	4.604	0	10	BJAE	
CC[C@H](C)c1csc(CS[C@H](C)CC)n1	132244813	BXJCWMUQSMZPTF-VHSXEESVSA-N	243.441	4.688	0	10	BJAE	
C[C@@H]1CC[C@@H](Oc2ccc(C(C)(C)C)cc2)C1	145655909	ZXICRTAUCVZQOS-IUODEOHRSA-N	232.367	4.552	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC(C)(C)C[C@@H]2C)c1	155797080	CGJUZEOJYKKTKJ-DZGCQCFKSA-N	231.383	4.622	0	10	BJAE	
CCCCC[C@H](NC[C@@H]1C[C@@H]1C)c1ccccc1	159043384	XHRHNGAINITPQN-XIRDDKMYSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)c2cccc(C)c2)C1	160155822	FNUQGIAVRHKKIW-INMHGKMJSA-N	245.410	4.614	0	10	BJAE	
C1CCCC(CCNC2CCCCCC2)CC1	161994783	QMAWXDIJYDDUII-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCC1CCC([C@@H](CCCC(C)C)NC)CC1	165889391	NZGCPRNTSVEHRI-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)COc1cc(Cl)ccc1Cl	166489129	IHVSJXJDOSIZNB-SECBINFHSA-N	247.165	4.808	0	10	BJAE	
CC(C)c1cccc(C(F)(F)F)c1C(C)C	166936934	FFRKDTGXOXHXGH-UHFFFAOYSA-N	230.273	4.952	0	10	BJAE	
CCCC(C)(C)Nc1nc2c(C)cccc2s1	169093888	YJXAHTVXXXVGFF-UHFFFAOYSA-N	248.395	4.595	0	10	BJAE	
CC[C@H](C)Sc1ccc(C(C)C)cc1	204790791	BLISRRULWDSNKR-NSHDSACASA-N	208.370	4.701	0	10	BJAE	
CC(=O)c1ccccc1[C@H]1CCCC(C)(C)C1	216514441	UUEYNFLCNRPXDP-ZDUSSCGKSA-N	230.351	4.573	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@@H]1C[C@@H](C)CCC	218972824	ZWIFAEZXIVFJTD-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCCC2CCCC2)C1	225052063	GPGTZRYFYKBXCY-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@H](NC)c1cc(C)cc(C)c1	229476107	KYSOCGFFOLCTNU-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCC1CCC(c2ccc3c(c2)CCCN3)CC1	232925440	VRTVRWGZPVAUPP-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)C[C@H](C)C(C)(C)C)C1	252909186	ZLWAEPLYPXIVMJ-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@@](C)(CCC)C[C@@H](C)CC(C)C	302314067	ITELNQATHTUGFV-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCN[C@@H](CCC[C@@H](C)CC(C)C)C(C)(C)C	302364541	OBORKXHLGSENIU-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cc(C)c(F)cc1Cl	304355791	LOAXNKJXZHQYNX-WCBMZHEXSA-N	243.753	4.634	0	10	BJAE	
CCc1cc(N[C@@H]2CCCC[C@@H]2C)ccc1C	305983734	IGRJSUDKDIZECA-XJKSGUPXSA-N	231.383	4.548	0	10	BJAE	
Fc1cc(C(F)F)cc2scc(Cl)c12	307291426	CGBPAQHAZQGCPO-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC1(C[C@@H](C[C@@H](C)C(C)(C)C)NC)CCC1	310126430	JJDGWIRLCXHAQK-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(N)(C[C@H]2CCC[C@@H](C)C2)CC1	310186084	XOCIIKLDDKNZBT-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)(C)C)CC1(C)CCC1	310555470	YCTRUPHWWNXIQP-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CN[C@H](CC)c2cccc(C)c2)CC1	310611961	CVZMMZPNQNEDSP-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
C[C@H]1C[C@@H](NCCCC(C)(C)C)c2ccccc21	313278960	GXZDISSASLULSM-XJKSGUPXSA-N	245.410	4.651	0	10	BJAE	
CC(C)(C)CCCNCC/C=C\c1ccccc1	313485427	OKQXJMVZUZRDFY-GHXNOFRVSA-N	245.410	4.506	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cc(Cl)ccc1C	319673271	DHFROHBGISMUPY-MWLCHTKSSA-N	238.758	4.513	0	10	BJAE	
C[C@@H](Nc1cc(Cl)cc(Cl)c1)C1CCC1	379076355	IZQKHWVCJVFHTB-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
CCC1(C[C@H](NC)C(C)(C)C(C)(C)C)CCC1	380168534	WINRRUMQAWONPH-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCCCC(C)C)c1ccc(C)cc1	383133607	DIZDTIULMQLESI-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CC(C)CCCCCCCCNC(C)(C)C	383271991	ZEMJBNCCNKRGCO-UHFFFAOYSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CCCCCC(C)C)C1	383358055	GAIPMCRPSNVVOM-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(C)(C)CNC(C)(C)C)C1	383506642	KKIRMHRAMBFMPE-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@](C)(O)C[C@@H](C)C1CCCCC1	383706798	WJIUHZOIGPBAHK-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)c1ccc2sccc2c1	386217641	JANYWDCUAAWXFY-NHYWBVRUSA-N	247.407	4.583	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	386245245	RUQSNRCNMMDRCK-SDADXPQNSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC(C)(C)CN[C@H]1C=CCCCCC1	391135942	FWOVNQKQLRJJOC-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C(C)(C)C(C)(C)C	394499751	LZHCXFYEWZTZGZ-LBPRGKRZSA-N	226.404	4.700	0	10	BJAE	
CC[C@@](O)(C1=CCCCCCC1)C1CCCC1	395699687	ZEWDYTKMAWPDOY-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCc1c(C)sc2ccc(C(F)(F)F)cc12	396298630	GLLCAEAJYACKNA-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CSc1cc2c(C)csc2cc1C(F)F	396403359	IHLXAGUUJXOXRG-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@H]1C[C@H]1CC=CCC1	402382531	ZTXZLWMHQRIHOZ-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCc2[nH]c3ccc(C(C)(C)C)cc3c2C1	527396497	WGNQBWODQRKFIW-LLVKDONJSA-N	241.378	4.590	0	10	BJAE	
CSc1cccc(C(=O)C2CCCCCC2)c1	687003752	RKOATHWTLSDANX-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCCC1CCC1	688822414	XSKIVZJYCIZRAF-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1cccc([C@@H]2Cc3ccccc3N2)c1	688911157	BOBXCNXMUHODJM-KRWDZBQOSA-N	237.346	4.519	0	10	BJAE	
CCCCCCC1(CNC(C)(C)C)CC(C)C1	691413216	JLNFUAIXAAULPU-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](Nc1cccc(C2CCC2)c1)C(C)(C)C	695647555	HVVSFGRCXJAVAS-GFCCVEGCSA-N	231.383	4.801	0	10	BJAE	
Cc1cc(C(=O)[C@@]2(C)CC[C@@H](C)C2(C)C)c(C)o1	699132631	DRFDUPQABHRSFE-QLJPJBMISA-N	248.366	4.542	0	10	BJAE	
CC[C@H](C)c1ccc(NCC2C[C@H]3C[C@@H]3C2)cc1	700097337	ZOJARDKFTIDFAU-RCBQFDQVSA-N	243.394	4.658	0	10	BJAE	
CCC(C)(CC)[C@H](N)C1CCC(C(C)C)CC1	701131143	KIMZKGPWTIGPMV-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC(N)(CCC2=CCCCC2)CC1	701974368	TUAOOONXZUOZKE-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@](N)(CCC(C)(C)CC)C1CCC1	705382593	KUBFTUBBLZFBRZ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CCC[C@@H](C)C(C)(C)C)NCC	711220209	VTLMKHOYUUMIRN-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(C[C@@H](C)C(C)(C)C)C1	711224253	IFDBBFPNQCMTFQ-IIAWOOMASA-N	239.447	4.604	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(O)CCC(C)(C)C[C@H]1C	713147482	WCIDFRROHRFHSG-CJNGLKHVSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)[C@@H]1CCC[C@H](CC)C1	713738287	DISXLCYOGGMZFK-ZKMWYASASA-N	249.442	4.703	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	718564753	FJLURJBIKRVWHJ-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CCCC(C)(F)F)C1	718669373	UQRPAYWLCJOFLZ-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCCCC[C@H]1NCCCC1CCC1	719302947	ZQRCUONNAKLPIV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2	720350985	MYYHEQQWWNFKGV-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1N(C[C@H](C)CC(C)C)C(C)C	1307566612	HXLCPFHYJKYZSH-OAHLLOKOSA-N	247.426	4.892	0	10	BJAE	
C=C/C=C/CCN[C@@H]1CCC[C@H]1CCCCCC	1659932215	WBPQSRHXLOHYPK-WPLBAPSMSA-N	249.442	4.847	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCC1CCCC1	1900580219	LRUBMUHCRPIWMY-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1ccc(Cl)cc1	1900696277	KJNFZHDOFKVLBC-CQSZACIVSA-N	239.790	4.556	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CCC(CC)CC	1900703015	LWUFDGDYJQAJIY-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@H](C)[C@H](C)C(C)C	1901726158	CFTFFRUUMMAQDK-KFWWJZLASA-N	227.436	4.568	0	10	BJAE	
FC(F)CCc1cccc(C2CCCC2)c1	1901918741	FERJMGLKTNJKNS-UHFFFAOYSA-N	224.294	4.542	0	10	BJAE	
CC(C)CC(=O)CCC[C@H]1CCC(C)(C)C1	1903426855	DXVSHKPHJPELPW-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCNCCC=C(C)C1CCC(CC)CC1	1905733059	NMNOISDDBNSQLP-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@@H](CCCCCC(C)C)NC	1909597823	LMOKFIBJEYECKK-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CC1CCC(CC)CC1	1910659048	CNOXVNYATUYTDI-NEXFUWMNSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC1(O)CCCCCCCC1	1910706418	MQJDXHWCFUXWMC-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC(C=C(CN)C1CCCCC1)(CC)CC	1912138213	JOJIXDSFPAVFHF-UHFFFAOYSA-N	237.431	4.668	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@H](C)CC(C)C	1920186795	IDBXLKYHGMRYOZ-ZNMIVQPWSA-N	227.436	4.602	0	10	BJAE	
CCC1CC(C(=O)c2cccc(C3CCC3)c2)C1	1921301683	GABRUDXXTAUELE-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@](C)(O)CC1CCCCC1	1921560361	BECBDUXOYOFFIV-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2C[C@H]3CCC[C@H](C2)C3)CC1	1923480077	JXTREHRHUZZQEB-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	1924100866	ZGPPKGASGHJSBP-SDADXPQNSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C1CCCCCC1	1924124090	HSYLYRZOWKRQCW-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)c([C@H](N)[C@H](C)C2CCCCC2)c1	1924136635	UJBAYVULWJHAIS-RHSMWYFYSA-N	245.410	4.520	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1cscc1Cl	1928731202	QTESBCGHESSTDV-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@@H](CCC)C(C)C	1941263127	MQQCWEKMONTJEV-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCC(C)(CC)CC	1941355411	MFMWIHZBEQQJAH-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](C)[C@H](C)CNC(C)(C)C	1942665617	ZHHJQBAJFHTLRK-ZNMIVQPWSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](CC)c1ccccc1	1942801705	SSNAHKXMUULJNN-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CCC1(CC(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCC1	1943048184	XLQQBQXBFJJPLM-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC)[C@]12CCCC[C@H]1CCC2	1944136832	OEKSVORXBMLHCZ-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c(NCC(C)(C)C(C)C)c(C)c1	1946158011	JILNOAKPXHDPOL-UHFFFAOYSA-N	233.399	4.706	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cc(C)cc(F)c1	1947456795	DRRQAWBPBBTYSN-IUODEOHRSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@@H](CCC(F)(F)CC)[C@H](C)CCC	1947994406	XDDIFEVKMRJLLE-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@H]1CCCC[C@H]1C	1948864704	PRUNEVDEYXXRBQ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)CC1(C)CCC1	1948971171	SUIGTEMAYNWKIV-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C)CN(Cc1ccccc1)[C@H](C)C(C)C	1953230261	AQARFXCRXUWCKZ-HZPDHXFCSA-N	247.426	4.579	0	10	BJAE	
CCC(CC)[C@@H](C)NCc1ccccc1C(C)C	1963157242	PSEHJJGYFVCVGN-CQSZACIVSA-N	247.426	4.724	0	10	BJAE	
C[C@]1(CNCCC2CCCCCC2)C=CCCC1	1967837820	VHDSUMNOXNCFGH-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCCC1CC(Nc2ccc(CC)cc2)C1	1968313585	GOVSPZPJQRMRNF-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)C2CC3(CCC3)C2)c1	1968588920	LXHGMXYDFSCJNN-GFCCVEGCSA-N	247.357	4.515	0	10	BJAE	
Cc1ccc(F)c(O[C@@H]2CCC3(CCCC3)C2)c1	1968646909	FBLAISQQGUBTIG-CYBMUJFWSA-N	248.341	4.626	0	10	BJAE	
CCCCC1CC(NCC2(CCC)CCC2)C1	1971565554	DIMOEPFACPYXSJ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC(NC2CC3(CCCCC3)C2)CC1	1972428389	JUELUFNZXGCSQH-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC1(CNc2cccc(C3(C)CC3)c2)CCCC1	1973398902	VLAXSNQAVQVFRB-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
CC1(c2cc3cccc(Cl)c3[nH]2)CCCC1	1987593285	KIFLFGJMEQGHBA-UHFFFAOYSA-N	233.742	4.653	0	10	BJAE	
CC(C)(C)CC(=O)CC1(C(C)(C)C)CCC1	1989445690	NQYADVVNRCFLQS-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)C[C@H](C)CC	1990093239	IWYYLHFKNBMGDY-ILXRZTDVSA-N	227.436	4.760	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H](C)CC(C)(C)C	1990873124	LUELLPKDJXLCAJ-CYBMUJFWSA-N	227.436	4.569	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)C(CC)(CC)CC	1993070656	WRMMCBULPJSUBO-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)c2cc(C)c(C)s2)CC1	1995701641	GOOHLPUHBIGFEB-WFASDCNBSA-N	249.423	4.501	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)C1(C)CCCCC1	1995980576	MXTKXHPQPVRFFZ-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)C1(C)CCCCC1	1995980578	MXTKXHPQPVRFFZ-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CCN[C@H](CC(C)C)[C@H](CC)C1CCCCC1	1996595813	YSGRTCIISBXUSO-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@]1(O)CCCC2(CCC2)C1)C(C)(C)C	1997041338	AMZHYMHUELAVGF-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@H](O)[C@@H]1CCC[C@@H](CC)CC1	1997118358	XDDLQWNSPDGQGG-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
O=C(CCCC1CC1)C[C@@H]1CCC=CCCC1	2000212713	YFRLINDQCJENFZ-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@H](C1CC(C)C1)C(CC)(CC)CC	2000386982	GJYLQFUKEMHYEH-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@H](C)C(C)(C)C	2000505438	REFNPCHIDFYBLU-HOCLYGCPSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@](C)(CNCC(C)C)[C@@H](C)C(C)C	2000510869	FEMGWBVMGLGPRN-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(CC)C(=O)OCC	2000641281	COYQSWZGEIUPOY-ZFWWWQNUSA-N	242.403	4.572	0	10	BJAE	
CCCCN(CCC[C@@H]1CC1(C)C)[C@@H](C)CC	2000907324	OGCSVMCYHTTZCE-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@@H](CCC)C[C@H]1CC12CCCCC2	2001219342	YUSQSWYNKPDRGP-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(C)(C)CNCC1(C)CC=CC1	2001696204	CFVIHRSLFLLFJS-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@]1(C)CCCCC1(F)F	2002582853	ODYRUMOUWRKMMO-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@@H](C)CC1(N)CCCCCCCC1	2003102176	XAMXHVNBZCSFHA-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)C)CC1(C)CCCC1	2003179319	NBOFNJMVEBOFNU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(CO)CCCCC1(C)C	2005586409	NOVZUUAESGJDQN-HOCLYGCPSA-N	240.431	4.638	0	10	BJAE	
C[C@H]1CC(=O)C[C@H](CC2CCC(C)(C)CC2)C1	2006660076	CVUBQWSOCDLLNF-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
C=C=CCC[C@@H](C[C@H](C)C(C)(C)C)NCCC	2010977523	QPQPKFKSHYJQCA-GJZGRUSLSA-N	237.431	4.548	0	10	BJAE	
CCN[C@H]1C[C@H](CCC=C(C)C)CC(C)(C)C1	2012066540	YRTOQMVGXXRMKE-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)[C@H](CC)C(C)C	2015279576	YCPYDLKLRFVIPJ-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)C)C1(C)CCCC1	2015281405	MWRYOEDEFBOHHP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)C1(C)CCCC1	2015281407	MWRYOEDEFBOHHP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CNC1(CC2CC2)CCC1	2015753212	OSAPSKCJUSIFAN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)CC1CCC(C)(C)CC1	2016830451	HHLWUSQYMIFGFS-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCCC(C)(C)C2)CCC1	2017141143	NFMRLGICSFQHQF-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(C[C@H]1CC[C@H](CC)CC1)C(C)(C)C	2017649641	YDKGQHIOWFABCQ-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)CC2(C)CCC2)CC1	2017663592	WBPNSDLEMFFIGO-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@](C)(NCCC2CCCCC2)C1	2017918031	NZXCXXBAYMJSAM-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC1([C@@H](CC2(CC)CC2)NCC)CCC1	2018994223	KGRJYQBAJHCCAB-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)N(C)CC1C[C@@H](C)C[C@H](C)C1	2019418377	CLDHYDLBPIKUEK-DZKIICNBSA-N	239.447	4.569	0	10	BJAE	
C1=C[C@H](N2CCCCCCCCC2)CCCC1	2019531141	ANMMJTOQWNOKFN-INIZCTEOSA-N	235.415	4.532	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1(CC(C)C)CC1	2020969357	ZIQOLQSJBKULDF-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1cccc(SCC)c1	2022490731	VLUKXVDBIHKYGE-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
CC(F)(F)CCCCNC1(C)CCCCCC1	2023291561	CXTQRGGBTAWXDV-UHFFFAOYSA-N	247.373	4.514	0	10	BJAE	
CC(C)=CC[C@H](N)c1sc2ccccc2c1C	2023323482	VGELIQPJSXFZQW-ZDUSSCGKSA-N	245.391	4.566	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1C[C@@H]1CCCC(C)(C)C1	2024091482	JAGSUAJBMLOJDF-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CCCC(C)(C)C1)C1CCC1	2024092679	UASHCNZNDMZRQY-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC[C@H](C(C)C)C1	2025575741	ZQTWTWSTAKKETC-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CCCC(CCC)CN[C@H]1CC[C@H](C(C)C)C1	2025587162	CUHDWAFJCLSLIR-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1cccc(C2CC2)c1	2028551679	IQCKKMIBDPNVMB-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)c2ccccc2C2CC2)C1	2028570438	YGYRSABCAMQTEC-JSGCOSHPSA-N	242.362	4.573	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)c1ccccc1C1CC1	2028602076	DZBPYGHHPAMADF-BLLLJJGKSA-N	245.410	4.636	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)c1coc(C)c1	2028632975	DUIKDPAGRPJZIR-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@]2(N)CCCC23CCC3)C1	2031816130	DNSNKGJUYMAUDX-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCCc1cccc([C@H](NC)C(C)(C)C(C)C)c1	2032343056	BKOSYZUHRGYQPD-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
Cc1ccncc1NC1CCCCCCCCC1	2035893112	YJSLEVCMGNIRFO-UHFFFAOYSA-N	246.398	4.695	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@H](NCCCC1CCC1)C2	2036659944	GXBDPSNWWFPCCM-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@]1(N)C[C@@H]2CCCC[C@@H]2C1	2037175398	CWXGUKKVPMVGRU-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](N2CC[C@@H]2C2CCCCCC2)C1	2037680020	WCGBYUFTLHXHHV-JKSUJKDBSA-N	249.442	4.610	0	10	BJAE	
C1CCCCC(N[C@@H]2CCC3(CC3)C2)CCCC1	2038585035	ZVQUCRAQGTUANZ-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CCC1CCCC1)C2	2038941282	RYAIAIMKURBVRW-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2[C@H]3CCCC[C@H]23)CC1	2039383605	HTXFOMGBXCISKQ-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1CCC[C@@H]2CCCC[C@H]21	2040312757	GVDRWCVUUXDGDI-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)[C@H]1CC=CCC1	2042031302	SFMHJUNUGXNUGS-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C1=CCC[C@@H](CN(C2CCC2)C2CCC2)CCC1	2045310965	HHZIKAXSOIHHCQ-OAHLLOKOSA-N	247.426	4.530	0	10	BJAE	
CC(C)C[C@@]1(C[C@@H]2CCC=CCCC2)CCCN1	2045322971	IVVYRENIADOJAZ-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc2cc(C(=O)CCCC(C)C)oc12	2045564295	AHHHRQVOCKWVLT-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1C[C@@H]1CC12CCCCC2	2047016586	PTFZGLCPESUVDV-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CCNC23CCCCC3)C1	2049511458	MABDJFGXOSKGHY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(NC[C@@H]2CC[C@H]3C[C@@H]3C2)CCC1	2049681754	PIAMJENSBARPSH-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)CC1(C)CCCC1	2049790888	KCWQPWJLODBRLN-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2CCCC3(CC3)C2)[C@@H]1C	2049857119	PNPGYXRCSSZJSC-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CC[C@@H]3CCC[C@H]32)CC1	2051599294	NMLBMRZKSPWDHU-TXOGFHGLSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H]2CCCC23CCCC3)CCC1	2055539279	HZJOBLJLDIADGT-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@H]1C[C@H]2C[C@H]2C1)NCCC	2059251254	YIZOIUYRTGEFAN-ZTNBSJNOSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC=C(C2(N)CC3(CCCCCC3)C2)CC1	2060908069	BVZZPQDJBNZMAB-AWEZNQCLSA-N	247.426	4.565	0	10	BJAE	
C=C=CCC[C@@H]1C[C@@H](CCC)CC[C@H]1CNCC	2061563103	LNAUEDNUUXQUNA-BBWFWOEESA-N	249.442	4.550	0	10	BJAE	
N[C@@]1(CCC2=CCCCC2)CCCCCC12CC2	2062008600	GHICFILMPQJLBG-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC1(CN[C@@H]2CCCCCC23CC3)CCCCC1	2062020182	YSKJBHIBBBXJEG-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063496348	IZXUFGASROCJJN-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1	2063537111	ZGPSVNQMRNSUCO-MUJYYYPQSA-N	244.378	4.509	0	10	BJAE	
C[C@@H](CC1(C)CCCCC1)c1ccc(CN)cc1	2067354707	TVLUYPZWVFMFIK-AWEZNQCLSA-N	245.410	4.609	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)[C@@H]1CCC1(C)C	2068284849	AMQXOWNLORUUEF-HIFRSBDPSA-N	245.410	4.794	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C[C@H](C)C(C)C	2068991958	STJSFEAPEXKGCI-AWEZNQCLSA-N	246.394	4.750	0	10	BJAE	
Cc1ccc(C)c(C(=O)C2(C(C)(C)C)CCC2)c1	2071927380	ZQMQIJIOBYRMMJ-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
Cc1cccc([C@@H](N)CC2(C(C)C)CCC2)c1C	2071943777	QHVCJFNUHBJXSA-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CC(C)=C(C)C1(N)CCC2(CCCCCC2)CC1	2072424571	KTPVYTLXZACFGI-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)c2cccc(C)c2)CC1	2072695574	IEMUWWHHGGNZSH-ZOBUZTSGSA-N	245.410	4.601	0	10	BJAE	
CCCC1CCC(C=C2CCN[C@H]2C(C)C)CC1	2072822276	SRINSXBLCIAIGB-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1	2072872054	XAXVBWNWTXGGBF-UIEKQHFFSA-N	248.410	4.598	0	10	BJAE	
CN([C@H]1CCCC2(CCC2)C1)[C@H]1C=CCCCC1	2075403505	MFEJELPWYFRZFN-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2c(C)cccc2F)C1	2075981215	PWIRDWBTJNWOIL-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1C[C@@H]1C1CCC1	2079345482	MYGUJEHLNUOGPP-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(NC[C@@H]2C[C@@H]2C(C)C)cc1	2079619646	MHLZIMMWDKDKCT-DOTOQJQBSA-N	245.410	4.733	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1C[C@H]1c1ccccc1	2079841974	LTOYBJIKBDUYIY-HOCLYGCPSA-N	244.378	4.576	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C1=C[C@H]2CC[C@H]1C2	2081679025	UIKADTVSFNMWDU-OFQRWUPVSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)C[C@H](C)CC(C)C)c1	2082943167	YOJAULLTFUHAGP-SJKOYZFVSA-N	248.410	4.718	0	10	BJAE	
CCC[C@H](C)[C@@H](N)CCCCCCC1CC1	2210525625	SMCGQTITVZSTSL-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)CC(C)(C)C	2212575809	FYFRERZSUHOQIX-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)[C@@](C)(CCC)CN[C@@H](C)CC	2212580604	QEZQMMWZHHUULY-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC1(C)CC(C)(C)C1	2215401926	SBNPNOYMOKTHFE-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)C(=O)CC1(C)CC(C)(C)C1	2215430632	KHAFNJZIBLKCQW-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
c1cc(NC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cs1	2216746436	DVCVTAPTWTWQEX-HZSPNIEDSA-N	249.423	4.767	0	10	BJAE	
CCC[C@@H](C)CC1(CN[C@H](C)CC)CC=CC1	2217130777	UBHSZQIDXZWHAL-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1ccccc1C1(C)CC1	2220927366	XLZRGHASOKPMSD-KBPBESRZSA-N	243.394	4.586	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CC1(C)CC2(CCC2)C1	2221082973	FCEROQLRFZMRGQ-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)NCC1(C[C@H]2CCC[C@@H]2C)CC=CC1	2223542708	SRWJIPQNNCGSDC-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](C)C[C@]1(CNC2CCC2)C=CCCC1	2223546551	KPKATNUEKRSEFS-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1ccc2occc2c1	2224139804	OUEPSBYSLMROCG-MRXNPFEDSA-N	245.366	4.649	0	10	BJAE	
CCCCC[C@@](O)(CC)c1cccc2ccoc12	2224157984	PFEVDUYRWIGWFT-INIZCTEOSA-N	246.350	4.611	0	10	BJAE	
CCC(CC)(CC[C@H]1CCC[C@H](C)C1)CNC	2246665058	JQVDALPFXKMUKB-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)C[C@@H]1CCC1(C)C	2247415721	GYDGFQHDBAYBNM-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)[C@@H]1CC12CCC2	2248291797	OORNMKPOWKGQGV-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)N(C)CCCCC[C@@H]1C[C@H]1C	2248836876	BPBLAVPLPASEMP-OWCLPIDISA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1CC2(CC(C)C2)C1	2250439605	AONZFKCWXOIUPN-JNJRBNHSSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)[C@@H](C)C(=O)O	2250495615	JWYMBZKESPQVAL-MELADBBJSA-N	242.403	4.586	0	10	BJAE	
CCC(CC)(CC)CN[C@]12CCCC[C@@H]1CC2	2251126119	QVGUKBRJYKNHCD-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C[C@]12CCC[C@@H]1CC2)NCCC	2251174184	DTKURHRJGNHJPC-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H](C)Nc1cccc(C2CCCC2)c1	2251219229	FISPYAYTUDVFFK-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C1CC(CC(C)(C)C)C1	2251539932	YGVFGMUCBNBYNB-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CN[C@@H](CCC[C@@H]2CCCCC23CC3)C1	2253887495	WTNFHDAXFKVWOR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@H]2CC23CCCC3)C1	2253925974	WQQNWWNFVJNVPY-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H]2CCC23CCC3)C1	2253940106	XVPXVQVNJIZSSW-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)[C@](O)(CC2CC3(CCCC3)C2)CCC1	2254077592	HQZDVSKSLNBAQT-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C[C@H]1CCC12CCC2	2254579390	NAQURLPZEBVYOL-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(N(C)CCCC[C@H]2C[C@@H]2C)c1	2254586396	OQSDBSIDLAFRJB-HOTGVXAUSA-N	245.410	4.566	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)c1occc1C	2255061781	FJJVPROUMKJWRF-HNNXBMFYSA-N	247.382	4.519	0	10	BJAE	
CC[C@H]1CC=C([C@@H](CCC2CC(C)C2)NC)CC1	2261491469	ZVAPHXPMXUNBLQ-KXJMLMMSSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](C[C@@H]1C[C@@H]1C)NCC	2297868385	ZWOCJIUTJAEJAV-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@@]12CCC[C@@H]1CC2	2298726964	NNGNWXUXTKJOBF-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H](CCC2(C)CCCCC2)N1	2300188003	YMHKMAUTCDHXDB-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCC[C@@H]1CNc2c(C)ccc(C(C)C)c2C1	2300495787	BIIBYWKMHAJPCY-ZDUSSCGKSA-N	231.383	4.503	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(N)CCCC(C)C)C1	2300498142	XQVPXFGSQBVHGY-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@](N)(CC)C1CCCCC1	2300696503	DRTXAWVNMVQVCC-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC1CC(NCC=C(C)CCCC(C)C)C1	2300863138	LVJVZMAIIHPAIS-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC=C(C)CC)NCC	2300873434	ZTRBXTWPXKULOK-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CCC(C)=CCN(CCC(C)C)C1CCCC1	2300882642	ZXWLFLIQJNEGEE-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2300921238	NUGYTJMZTBLZHC-HUUCEWRRSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](O)CC1CCCCCC1	2301133900	QVSQYGLVNUJFAL-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@@]1(CC2CCCCCC2)CCCN1	2301134323	XCFXYLADGUSQHV-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCCN(C1CCCC1)[C@H](C)[C@H](C)C(C)C	2301973765	DMUQEQILXXEEMI-HUUCEWRRSA-N	239.447	4.712	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)[C@H](C)C1(C)CCCC1	2301977517	HANGOLFIZMVQQY-RRFJBIMHSA-N	239.447	4.568	0	10	BJAE	
CCC(C)(CC)[C@H](N)CCCC1=CCCCC1	2302358310	FICFLWVXUXOUJQ-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C[C@@H]1CCC[C@@H]1N	2302625225	QLSUDYJMQUTMQN-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC1(O)CCCCCC1	2303488953	BSWAGZJYLAURDA-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](CN)(CC[C@H]1CCC(C)(C)C1)C(C)C	2304413573	WDLGQKINEMFLPK-ZBFHGGJFSA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H]1C[C@H]1C1CCCCC1	2311538199	RKRIPDIFLUIPCB-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)[C@@]12CCCC[C@@H]1CC2	2313289474	GXNNEGVAKHFXSX-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CC[C@@H]2C[C@H]12	2315868606	AURPKBMPTOBIFS-PMPSAXMXSA-N	243.394	4.576	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@H]1CCCCC12CCC2	2316500948	BACVWLXDQBANJJ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@@H](NC)c1ccccc1C(C)C	2316501525	FMIZBXKQPBPPME-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1NCCCC1=CCCCC1	2318531751	OWELCJHOWIXYGT-QLPKVWCKSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(C3CC3)CCCCCN2)C1	2319030796	OTFPGGNAAWUAQT-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CN[C@H]2CCCC[C@@H]3C[C@H]23)CCC1	2319732352	AMHVFBBGQXKHHZ-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2320377734	FFZHPKDAOSDFKF-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
Cc1cc([C@H](N)CC[C@H]2CCC(C)(C)C2)c(C)o1	2321640179	SELZVLGJZIGPHH-DZGCQCFKSA-N	249.398	4.503	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@@]2(C)CC2(C)C)c1	2327678318	SYKACYODKSXRJU-NVXWUHKLSA-N	246.394	4.588	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)c1cc(C)ccc1C	2328212803	KJMLVBXLEFCICJ-NVXWUHKLSA-N	248.410	4.727	0	10	BJAE	
CC(C)[C@@H](C)N[C@H](C)c1cccc2ccccc12	20559994	VFBDKLWPEMKSOD-ZIAGYGMSSA-N	241.378	4.535	0	10	BJAE	
CCCCCc1ccc(N[C@H](C)CC)cc1	20563583	CRJZFPGNPVYLMX-CYBMUJFWSA-N	219.372	4.630	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCCC1=CCCCC1	21802486	SRDXZXJTRSSALJ-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1C)C(CC)CC	35579736	IKBFIZJZHWQPGT-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)c1cc(C)ccc1C	36792115	ZGXQSOYZRVCHDY-JKSUJKDBSA-N	247.426	4.923	0	10	BJAE	
CCCc1ccc([C@@H](C)N[C@@H](C)CC(C)C)cc1	37261000	HZJRWGAZWGUIDL-LSDHHAIUSA-N	247.426	4.724	0	10	BJAE	
CCCC[C@H](C)N[C@@H](CCC)c1ccccc1	37300061	LBACNHKZRMDSSE-HOCLYGCPSA-N	233.399	4.696	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(O)CCCC(C)(C)C1	79982326	PMXAAIDNLTXGOI-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](NC(C)C)c1ccccc1Cl	86315617	LVHBVVBMKMHLIB-AWEZNQCLSA-N	239.790	4.569	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C)CC2)c(C)c1	86878035	MXPJMZJMVLXDLE-SWLSCSKDSA-N	231.383	4.684	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1CCC(C(C)C)CC1	87960316	UPUZNVZARSCKGY-WLYUNCDWSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1sc(C)cc1C	88047212	KAVSEZIIZNGWNL-GFCCVEGCSA-N	238.396	4.764	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)c1ccc(C)c(C)c1	103985558	ZYVYFPWJYNSBSP-GDBMZVCRSA-N	233.399	4.533	0	10	BJAE	
CCCCC[C@@H](C)NC1CCC(C(C)C)CC1	104042423	OGTUITLLJKFQHY-QQFBHYJXSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](CC)c1ccc(C)cc1	111664444	JQTSYAZTPSHUKL-RHSMWYFYSA-N	247.426	4.860	0	10	BJAE	
c1csc([C@@H]2CCCCN2C2CCCCC2)c1	116148156	BBCHKZRHRVJNLV-AWEZNQCLSA-N	249.423	4.608	0	10	BJAE	
CC(C)NC/C(=C/C1CCCC1)C1CCCCC1	125571306	BRUWRCYXVOSYHC-ATVHPVEESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H]1CC[C@H](C)c2ccc(CCC)cc21	136927901	TWAQEWONPYNYMG-GUYCJALGSA-N	245.410	4.577	0	10	BJAE	
Cc1cccc(N)c1Oc1cccc2ccccc12	158597632	AKMIDXRYLXFREA-UHFFFAOYSA-N	249.313	4.523	0	10	BJAE	
CCCCCC[C@@H](N)Cc1ccc(C(C)C)cc1	161723988	QTVRCYAQEGUFPX-QGZVFWFLSA-N	247.426	4.650	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@@H](C)C(C)(C)C)c1	164144498	QVFADSXWHYTVJZ-CYBMUJFWSA-N	232.367	4.558	0	10	BJAE	
C[C@H](CC(=O)CCCc1ccccc1)C(C)(C)C	165197436	BOVCFEGNQDMGIB-CQSZACIVSA-N	246.394	4.651	0	10	BJAE	
CCCc1cccc(C(=O)C2CCCCCC2)c1	165546506	XNGOPPNGROCSQM-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CC(C)(C)C[C@@H](O)c1ccc(C(C)(C)C)s1	165664318	QFAAODYLPXIPTC-SNVBAGLBSA-N	240.412	4.515	0	10	BJAE	
CC(C)CCC(=O)c1cc2sccc2s1	167963142	MAFXPPHRKRHHFF-UHFFFAOYSA-N	238.377	4.582	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@H](C)CCC	203425620	JVROYZIZPLFSFN-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@H](C)NCCCC1CCCC1	225041737	AMDOLQFPFNWOTB-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)c1ccsc1C	227915088	QRAKZXZVTDMMJY-GXTWGEPZSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)(C)C)[C@@H](C)CC	228814832	SIOKGOJSTLUHRF-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CCC1([C@@H](NC)C2CCCCCC2)CCCC1	229149396	CQDSAKOEYMAPSY-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@@H](CC)C1)C(C)(C)CC	229478325	LCVXHQXIEOVXGD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](CC2CCC2)NC)cc1	232156514	GQQBSQWZOHUOLE-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
Cc1csc(C(=O)CCCC(C)C)c1Cl	232559605	SPBBWIMBNCBUGV-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
CCCN[C@@H](CC1CCC1)c1c(C)cccc1C	233124148	BCYNGLVQFSMVAO-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC1=C[C@]2(C)CCC[C@]23[C@H](C)CC[C@]13C	254567053	SAOJPWFHRMUCFN-BEAPCOKYSA-N	204.357	4.559	0	10	BJAE	
CC(C)C[C@H](C)CC1(N)CCCCCCC1	300953331	PZMCLTKCTZPVBQ-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@H](C)CC(C)C	301010062	YPRYRFAKGAFFQE-UKRRQHHQSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H]1CCC[C@H]1CCC1CCCCC1	302282401	VCUWMNHWRANRGI-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC[C@@]1(N)CCC[C@H](C2CC2)C1	302336639	UDDFGSQTKBVFJC-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@H](CNC1CC1)C1=CCCCC1	302607316	XLJNHUWGNBKVCK-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@H](O)CCCC(C)(C)C)c1C	305916512	KKUVDWWHBCMSEA-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CCCNC[C@H](C[C@@H](C)CC(C)C)C(C)(C)C	306014312	XHIDSFGYZDXWOJ-GJZGRUSLSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1cc2ccccc2o1	308034724	RVSDJRLETWUYTP-BLLLJJGKSA-N	246.350	4.539	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](CCC)CC(C)C	308044375	FJPUGJMWIJMPDB-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](CC1CC1)[C@@H](CCC)CC(C)C	308057587	RINIRPMDSBLXKO-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCNCC/C=C(\C)CCC1CCCCC1	310062854	VVTDCFKSHWNFNB-OVCLIPMQSA-N	237.431	4.683	0	10	BJAE	
CCCCCC(CCCCC)N[C@H]1CC[C@@H]1C	310320089	WJRWURNPJIGDER-HOCLYGCPSA-N	239.447	4.904	0	10	BJAE	
C[C@@H](CC1(C)CCCC1)[C@@H](C)CNC(C)(C)C	310531928	OGKYVLLXKNPXKM-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
O[C@@H](CCC1CCCC1)c1ccc(C2CC2)cc1	310612986	FDOHHCRSQPFLFJ-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CN[C@H](CC1CCCC1)c1ccccc1C(C)C	310815266	HEVKLPRKRJWBGT-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
C[C@@H](C[C@H]1CCC[C@@H](C)C1)[C@@H](N)c1ccccc1	310979794	JMKQAZJAGYGDDY-WBTNSWJXSA-N	245.410	4.539	0	10	BJAE	
CCNC[C@]1(CC2CCC(C)CC2)CC=CCC1	316800771	IWOTYUBHVOYPJG-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@]1(CNC(C)C)CC[C@@H](CC)C1	317839296	FNLWGCMSFPQOAF-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C[C@@H](C)CC(C)C	379630528	KJVAFKRRLFBJJR-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C1(C)CCCCC1	381182083	RRAFQGNKFOXTQN-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC12CCCC2)C1CCCC1	382826477	VVGIYQQPWKGFEP-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)C(=O)CCCCCC(C)C	383166001	RFAJISUYFYXOPR-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@@H]1CCCC[C@@H]1C	384503084	DCIXSBOEINBFSS-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@H]1CCC[C@@H](C)C1	385784694	XZPITBVTPJLBPC-JKIFEVAISA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC23CCCC3)cc1F	385865347	XQCMDFZBTDKWFA-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
Cc1cscc1NC[C@@H](C)C1CCCCC1	387059137	ALKKGBJAHUXAAC-LLVKDONJSA-N	237.412	4.685	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@@H]1C[C@H]1CC(C)C	387958228	CVIHEPNBBNDHKW-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(Nc2ccc(Cl)c(Cl)c2)C1	395308471	WKKWMLYQQHGMSC-UHFFFAOYSA-N	244.165	4.594	0	10	BJAE	
COc1cc(Cl)c2ccsc2c1C(F)F	396289093	JRHVSZRQZPIYTA-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
Cc1cc(C(F)(F)F)c2cc(S)sc2c1	396298980	ISDYFTSMJWZKMJ-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCC[C@H](N[C@@H]1C[C@]1(C)CC)c1ccccc1	397300008	KENAJNOBGUGTFB-BBWFWOEESA-N	245.410	4.696	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](CC2=CCCC2)C1	401169120	NACURSZWQQPPLU-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NC(C)C	402137985	JPOCLPWBONXLOS-NXOAAHMSSA-N	249.442	4.536	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CC=CCC1	402202502	BXPCOKFEONNADE-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1coc2ccccc12	404346438	VMGPVZIGDNETDK-GFCCVEGCSA-N	244.334	4.832	0	10	BJAE	
CC[C@@](C)(CCC(C)(C)C1CC1)CNC(C)C	406022988	HYULWRSMVAQHAM-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC(=O)C1CC(C)(C)CC(C)(C)C1	688310233	XVUJLMGPKIPIGT-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@H](C)C(C)C	688367063	DHTVZYLYLCUWJF-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CC[C@H](C)SC1	689397919	HHEDTMKDBVYONM-QWHCGFSZSA-N	249.423	4.506	0	10	BJAE	
CCC[C@@H](C)CNc1cccc(C2CCC2)c1	690115503	YVMVHXJPYHNQSM-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccc2sccc2c1	691831540	UFSKKKAGLZGCKO-ABAIWWIYSA-N	248.391	4.761	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C1CCC2(CC1)CC2	695648720	VVSKRPMQQDBIFI-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(NC2CCC3(CC2)CC3)CC1	695687300	BFAQJDHUDWPXQD-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@@H]1CCCC2(CC2)C1	695986899	SPVGMUIJUGSUPG-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc([C@H](N)CC(C)(C)CC)cc1CC	696561673	PMZBJAYAUXLZME-MRXNPFEDSA-N	247.426	4.638	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1c(C)c(C)cc(C)c1C	697293139	WTMUJEXWPAHRJW-OAHLLOKOSA-N	248.410	4.780	0	10	BJAE	
CCC(C)(CC)C(=O)CCC1CCCCC1	701377175	KBBFSEKQCQZYNT-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@H](C)CC(C)C	708315145	SXBVHMXFFCRYSF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@@H](C)CC(C)(C)C	709139233	CLSRVJBRMJNFSM-LSDHHAIUSA-N	241.463	4.865	0	10	BJAE	
CCCCCC[C@]1(O)CCCCC[C@H]1CC	709201337	UJENIFSESFDBEL-CABCVRRESA-N	226.404	4.678	0	10	BJAE	
CC(C)CC[C@](O)(C[C@@H](C)C(C)(C)C)C1CC1	710740416	BBQQQVQMXBBOLM-CJNGLKHVSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](NCC)[C@]1(C)CC[C@@H](C)C1(C)C	710771185	YZSDCRINWOFBHQ-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(=O)CC1(C)CCC1)C(C)(C)C	711180901	SQJANPGTUXTZOG-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C[C@@H](NC)C1=CCCCC1)C(C)(C)C	711212685	KUXJHFZDJNOJAX-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)N[C@H](C1CCCC1)C1CCC1	711830847	GDMGCLUCPDORAC-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1C[C@H]2CCCC[C@H]21	712423882	MEZASVLJXOGRDD-BZUAXINKSA-N	243.394	4.548	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)C1CCC(C)(C)CC1	713266858	MBBOFBPBLHMMMW-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
C/C=C/C[C@H](C)c1ccc(CCC)cc1	714543799	PXDUODYVMOUVBR-BPJJOFIESA-N	202.341	4.709	0	10	BJAE	
CCCN[C@H](CCCC(C)(F)F)C(C)(C)CC	718632010	HPFYNYCEBJUGQR-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1CC[C@H](C)CC1	719266190	JYNZRFIPMGYGEA-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)C(=O)CC1CCC(C)(C)CC1	721697991	MVURRYBTEZZKGN-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@H](CC1CC(C)(C)C1)NCCC	723568071	MXQROBXPYZATSG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1ccc(Cl)cc1	1308324164	BOUHKFCJTUJPCX-WFASDCNBSA-N	249.785	4.744	0	10	BJAE	
CCC[C@H](C)CCNCCC1CCCCCC1	1462549424	UQODWUGYLHGQBK-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CC(C)C[C@@H](C)CN1[C@H]2CC[C@H]1c1ccccc12	1559801645	FOJGSRFKMGOPFP-COXVUDFISA-N	243.394	4.560	0	10	BJAE	
CCC(CC)CC[C@@H](O)C[C@H](C)C(C)(C)C	1900699382	ZKAXQGZHFUOJQK-GXTWGEPZSA-N	228.420	4.636	0	10	BJAE	
CCC(CC)CCC(=O)C(CC)(CC)CC	1900716345	IVZNPEDJHUCQBP-UHFFFAOYSA-N	226.404	4.988	0	10	BJAE	
CCC(CC)CCCC1(CO)CCCCC1	1900718732	VWCGCKUFRLGPSH-UHFFFAOYSA-N	226.404	4.536	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1CCCCCC1	1901142326	DTUQJYSKJFSQES-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
Cc1nc(CCCC(C)C)sc1C(C)(C)C	1901882800	KYSVOOGZKKNYGK-UHFFFAOYSA-N	239.428	4.728	0	10	BJAE	
CCC[C@@H](C)c1nc(C2CC3(CC3)C2)cs1	1903433272	AKVSNSBRHJBMAS-SNVBAGLBSA-N	235.396	4.704	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc(CC)s1	1905454320	QQUAWTULRPXCOM-AAEUAGOBSA-N	239.428	4.527	0	10	BJAE	
Cc1ccc(-c2ncc(C(C)C)s2)cc1C	1912996892	QNMVTWWJILODDI-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CCC2(CCCC2)C1	1916433047	XXEXFMJWINDTLZ-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@]1(CC(C)(C)CC)C=CCCC1	1916602052	HSINIFUZHQPLGC-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H]2CCC[C@@H](C)C2)C1	1921275748	PHSJCMRNSBZEIX-FEWQNLEASA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](O)C1CCCCCCC1	1921537444	XKSYNGWBTKSHEX-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@@H](CC(CC)CC)NCCC	1926173116	CJLNUSSUEHXFHU-INIZCTEOSA-N	237.431	4.703	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@@H]1C=CCCC1	1926194223	SLKHQWDFBJGXHM-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)CCC1CCCCC1	1940854264	VSFFNCFAYPAXJZ-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCC(=O)CC[C@H]1CC1(C)C	1940855517	HBKRAPCKZVDDLV-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)CCCC2(C)CC2)CC1	1940878163	UTRZAFCLPKRZHA-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@@H](C)C(C)(C)C	1941599533	KIPFUGIWJPZPPL-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@@H](O)[C@H](C)CCC(C)C)C(C)(C)C	1942662919	YHQRAQNKYBMDBE-RBSFLKMASA-N	242.447	4.882	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CCC[C@H]1C)NCCC	1944822034	YBNFGDBGEPOWOM-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCCC(F)(F)CC1	1948123319	YHYOIRQVKIKLFF-CHWSQXEVSA-N	247.373	4.513	0	10	BJAE	
CC[C@H](C)CC1(CNC(C)C)CC(C)(CC)C1	1948413257	ODBMKQSGIWXRIW-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)[C@@H]1CCC(C)(C)C1	1949515430	ANJJJWJFCVLTOW-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@]1(CNCC)CCCC(C)(C)CC1	1950912917	BXJNAQPHZDQYRK-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCNC[C@]1(CCC(C)C)CCC[C@H](C)CC1	1950929156	FCGMFRVKIQTCSR-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
Cc1sc(C(C)C)nc1C1CCCCC1	1958178270	OPHAREIPDWNSIZ-UHFFFAOYSA-N	223.385	4.623	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCc1cccc(C)c1C	1963172831	BYJYYBRLJFLFSF-DYVFJYSZSA-N	247.426	4.608	0	10	BJAE	
C1CCC(CCCN[C@@H]2C[C@@H]2C2CCCC2)CC1	1967829281	ZSCKYRHAECIWIS-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC23CCC3)c(F)c1	1968327383	XXHXDZWGQHYIPO-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CCCN(Cc1ccccc1)[C@H](C)CCC(C)C	1968374799	VDRXSDFHFUVSCY-MRXNPFEDSA-N	247.426	4.723	0	10	BJAE	
CCC1CCC(COc2ccc(C)cc2C)CC1	1968395868	CDSNCJYCZSJEDM-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
CC1(C)CCCC[C@H]1CNC1CCC2(CC1)CC2	1970081654	HUDZREVEFMBNAC-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(NC2CC(C(C)(C)C)C2)ccc1F	1971992407	RPEAXEQOCQGPIP-UHFFFAOYSA-N	249.373	4.625	0	10	BJAE	
CCC(CC)C(=O)C[C@@H]1CCC=CCCC1	1978275472	XLGKFKVTTSLYGE-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCCCCCC1=O	1980319465	RCSJTTITDKKNJG-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCCC(C)(C)C	1988795249	RABWTYYDNYAJPV-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CC=CCCCC1CC(c2ccccc2)C1	1989217020	UTHKRPJEIBUAIC-UHFFFAOYSA-N	214.352	4.927	0	10	BJAE	
CCCSc1ccccc1N[C@@H]1C=CCCC1	1996573634	MTTIIHJKTUTGCT-CYBMUJFWSA-N	247.407	4.709	0	10	BJAE	
CC[C@H]1CC[C@H]1N[C@H](CC)CC1CCCCC1	1998762877	DXACQVYPSRQYDO-ARFHVFGLSA-N	237.431	4.514	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)c1c(C)csc1C	2000295033	BVSFNIGFXCQCPO-GWCFXTLKSA-N	248.391	4.540	0	10	BJAE	
CCCC[C@@](C)(CNCC)C[C@H](C)C(C)(C)C	2000505437	REFNPCHIDFYBLU-GOEBONIOSA-N	241.463	4.865	0	10	BJAE	
CCC[C@](C)(CCCC1CC1)CNC(C)(C)C	2000509911	QOSFLLGVCWBAQV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)CC(C)(C)CC	2000523779	RXAPADOSBAEQHK-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CC(CC)(CC)C(=O)OC	2000708150	UBGWFTPOBPYDNJ-ZDUSSCGKSA-N	242.403	4.572	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C1CCC(C(C)C)CC1	2002926797	RBQXBQAQMOMXDE-ZBCRRDGASA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCCCC[C@H]1N	2003097640	HLOVHZMOCVMRCA-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CCC1CCC([C@@H]2CCCCCC[C@@H]2O)CC1	2003101679	XRRNLWSWGJHVJV-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H]1CCCCCCC[C@H]1O	2003117608	OHZGZJIRQIQAND-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@H]1CCC2(CC2)C1	2003210529	FVSRALVRAHKVOB-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CCC(N)(C2CCC(C)CC2)CC1	2004343098	YTUPWJZMJIFEDC-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC1=CCCC[C@H]1N[C@H](c1cccs1)C(C)C	2007028292	VWBYBSGNUNKGGV-HIFRSBDPSA-N	249.423	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C=C1CCCCC1)NC	2007940845	VZZFZYXGQFEGFB-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@H](CC(C)(C)CC)NC)CC1	2010767382	GFDGKJJQTIOIFO-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(=O)CC[C@@]12CCC[C@H]1C2)C(C)C	2011011922	SAEUWKBBCMOHMF-OFQRWUPVSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCCC23CC3)cc1	2011277895	OWBLFCQHZBMYJH-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
C[C@H]1CCC[C@@H](N2CCCCCCCCC2)C1	2013181303	VSNFQHNQJQDXGH-JKSUJKDBSA-N	237.431	4.611	0	10	BJAE	
Cc1cccc(F)c1N[C@@H](C)C1(C)CCCC1	2014337473	DHASHZJNKLKRQU-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)[C@@H](C)C(C)(C)C	2015277430	GXIUVUPYDOJTOF-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCCCC[C@H](NCCC)C1(CC(C)C)CC1	2015754138	ANTKNNXURAMXKE-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@]1(C)C[C@H]1C)NCCC	2016453458	AGHQWOYTWIHXOP-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(C)CCC[C@@]2(C)O)CCC1	2017117134	RRWKLQAFTVDCOP-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1C)CCC(C)(C)C	2017239286	SOEFHHUCSKORJW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CNC[C@H]1CC[C@H](CCC)CC1	2017661534	CSMASPDDXZWJTD-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(CN)C(C)(C)C)CC1	2017731283	PPQXHDCQFSJNBJ-HDJSIYSDSA-N	237.431	4.524	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C(C)(C)CC)CC1	2017776397	OKVJPANSCNCFMA-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@](O)(CC)C1=CCCCCCC1	2018133884	JHCVFYVKKKLRPU-MRXNPFEDSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CCC1=CCCCC1	2019341454	ATBVGTHWLMIYEB-CQSZACIVSA-N	237.431	4.633	0	10	BJAE	
CCCN(CCC1CCCC1)C1CCCCC1	2020536115	RUAPGIISGXKOET-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](CCCC(C)C)NCC	2022519731	KVGFJZJPQLDAQL-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@]2(C)CC2(C)C)C1	2024101314	JRMOZVCZVIPVNC-BLLLJJGKSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(NC2CC3(C2)CC2(CCC2)C3)cs1	2024504410	AOHQEAVLTSTMOW-UHFFFAOYSA-N	247.407	4.581	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CCCF)NCCC	2026083349	ZVITWGPQZBSTIJ-LSDHHAIUSA-N	245.426	4.711	0	10	BJAE	
Cc1cc(C)c(C(=O)CC[C@H]2CC2(C)C)c(C)c1	2027821251	YQYVFGBVFUBFEX-AWEZNQCLSA-N	244.378	4.621	0	10	BJAE	
CCCC1CCC(N)(CC2CCC=CCC2)CC1	2028874257	NVSXGVQZPSIBIB-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CCC1(CC(=O)[C@@]23CCCC[C@@H]2CCC3)CCC1	2031853184	UYANBLLNEHTILA-RHSMWYFYSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C1CC1)C[C@H]1CC=CCC1	2032165474	LKUCCQMNURDIGF-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CN[C@@H]1CCCC2(CCCC2)C1	2034364191	RCBCXLVXJGFACP-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1c1ccc([C@@H](N)CCCC(C)(C)C)o1	2037106124	ZEHVNMCVMBZWPQ-AVGNSLFASA-N	249.398	4.619	0	10	BJAE	
NC1(CCC2=CCCCC2)C[C@@H]2CCCC[C@H]2C1	2037173445	JFTBXTOKCSMRNG-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)[C@H]1CCC2(CCCC2)C1	2037688952	BWLBSTVOOYWQMD-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
Cc1ccc2nc([C@H]3CCC[C@H](C)CC3)[nH]c2c1	2039377676	RRFZCRSYPQDYIE-AAEUAGOBSA-N	242.366	4.555	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C2=CCCCCC2)CC1	2039378743	WOPJJKHAYSFIFT-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CCc1ccc(CC)c(NC[C@H]2CC[C@@H](C)C2)c1	2040125811	AFNCTRGVFBKBNL-HIFRSBDPSA-N	245.410	4.660	0	10	BJAE	
C[C@H](N[C@H](C)C1CCC(C)(C)CC1)c1ccco1	2040639552	VRHNUVTYFTWARR-OLZOCXBDSA-N	249.398	4.535	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCC2(CCC2)C1	2043617322	ZOPMVZDJLFPIFG-CQSZACIVSA-N	243.394	4.945	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1c(C)oc2ccccc12	2045584353	IKPLGQSQKHLSEQ-MNOVXSKESA-N	244.334	4.606	0	10	BJAE	
CC(C)(C)NCC1(C[C@@H]2CC23CCCCC3)CC1	2047012299	NNDVQJUIPXFRLT-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@@H]2CC23CCCC3)C1	2047052113	KLKZEBKMGMKKGW-JXQTWKCFSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@H]1CCC12CCC2	2047939466	NJSZWRBCKGAOLX-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@H]1CCC12CCC2)C1(C)CCCCC1	2047958628	KGDFGWWIIVCMFY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048366233	OPWVIDKYJULNDO-XUWVNRHRSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CCC([C@@H](C)N[C@H]2CC=CCC2)CC1	2049419174	XIPGYQJEXGZZGT-VXLLPVPCSA-N	249.442	4.536	0	10	BJAE	
CC1(C[C@@H](N)C[C@H]2CCCC3(CC3)C2)CCCC1	2049859189	QELCGELRXSGMCT-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C1CCCC(NCC2CC(CC3CC3)C2)CCC1	2050175971	PHBXSAVAGYZNEK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@H](C)[C@@H](C)CC)c1cccc(C)c1	2050462068	AMPHJSOVCXYAHG-YQQAZPJKSA-N	247.426	4.718	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@H]1CCCCC12CC2	2053414066	WUFWMNHUPNAZLR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)[C@H]2CCCCC23CC3)C1	2053420832	NIOMZEYDUBXKJT-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CNC[C@@H]2CCCCC23CC3)CCC1	2053430673	RLWUJTFIKIFTDE-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1C[C@H](CCC2=CCCCC2)C[C@H](NC)C1	2055038856	LAGVRZICXCFBAC-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@@H](NCC2CC(C(C)(C)C)C2)CCC1	2055553172	WTNZJKALXDZYJV-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCCCC[C@H]2C(C)C)CCC1	2055553781	CAMYQBVZCXRHIO-IXDOHACOSA-N	249.442	4.680	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C1(C)CCC2(CC2)CC1	2056538919	BYZXUHKJUMANIK-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)C1CC(C)(CC)C1	2056870277	JFRJBWFSMUHNAN-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C=C1CCCCC1)CCC1CCCCC1	2056876490	QYKJPVLDYINOEN-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@H]1CCCC2(CC2)C1	2059173420	RFWBPPHUOTXZOZ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N[C@@H]2C=CCCC2(C)C)C1	2059393667	JGAZQZDCPYZNLB-UYSNPLJNSA-N	249.442	4.680	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12C[C@H]1CCCC[C@@]1(C)C2	2059468756	CNFWAOJOKVDUFK-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC[C@@]23CCC[C@@H]2C3)CC1	2061575203	PSCFFPMISYWRJY-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](O)CC2CC(=C3CCC3)C2)CCCCC1	2061684641	ITSHZQZZNUPHGA-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
O[C@H]1CCCCCCC[C@H]1CC1CC(=C2CC2)C1	2061693223	DRSGYKCBEJQOAF-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1CC(=C2CC2)C1)NCC	2061726060	LYXCUIIUPDHKGG-DYVFJYSZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063486370	IUFLUCCLXVAJPT-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(N)(C2CC3(C2)CC(C)(C)C3)CC1	2063800115	UIPRQNJZGKRWEK-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC12CCC(CC1)CC2)C1(C)CCC1	2065313533	USMACJRUOLKFBM-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@H](C)c1ccccc1	2065987575	LNYOEJZKKJMWKU-WBVHZDCISA-N	248.410	4.758	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCCC[C@H]2C)n1	2066348138	YMNXRPDSRKMVFI-UKRRQHHQSA-N	246.398	4.586	0	10	BJAE	
CC(C)(C)NC[C@@]1(CC2=CCCC2)CCC1(C)C	2068242064	GIHXMFLQYHYZDN-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068766015	CECGSPMSAYJNTG-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2070945276	YCDRMZRILLJWSD-OWVAZHOYSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@@H](NCC2(C(C)(C)C)CCC2)CCC1	2071942259	BXNKOAFTYPTUPU-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CCC[C@@H]3C[C@H]32)CC1	2072805929	HCOKKUNRERNHPX-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)C23CCC(CC2)C3)CC1	2072810538	WXCPGWYTSLIJPH-UWEUSHKOSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCCC(C)=C2C)CC1	2072816574	WJFMEIZLEZOMGE-OFLPRAFFSA-N	249.442	4.811	0	10	BJAE	
CCC1(CC)CCC(N(C)CC2CC=CC2)CC1	2075266320	JSTAYKBLKVRPIJ-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
C1=C[C@H](N2CCC[C@H]2C2CCCCC2)CCCC1	2075405411	OZAMBAGODZDJSS-IRXDYDNUSA-N	247.426	4.530	0	10	BJAE	
CC=C(CC)[C@H](C[C@@H]1CCC[C@H]2C[C@@H]12)NCCC	2077197633	SKRQBQCLKIBXPL-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CC[C@@H]3CC[C@H]32)c1	2077264920	DNUSDNSQTVEWJV-YSVLISHTSA-N	241.378	4.555	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)([C@@H]2CCC3(CCCC3)C2)C1	2085321147	PJCNYAIHSWDOTM-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](c1ccsc1)C(C)(C)CCC	2212118614	WXZLTRCEXNBDCO-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CC[C@H]1CCC[C@]1(N)CCCCCCC1CC1	2213571114	DKJHICLRDNHXIW-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
CCNC[C@@](CC)(CCCCC1CC1)C(C)C	2214570299	QWAFKQAMTIBEKF-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1CC)CC(CC)CC	2215244425	GXIUVMPVKOSOJP-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](CC1(C)CC(C)(C)C1)NC	2215399829	ZRIPJOAPMJBLKB-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CCC1(C)CC2(CCC2)C1)NCC	2215400354	FRQRVDARBFLREU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCCCCC(F)F)CC(C)C	2216444933	PNDVJABJBXABKE-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@H]2C[C@@H]2C1	2217240202	HFJLBZLJPQEOEO-OUCADQQQSA-N	249.785	4.503	0	10	BJAE	
C[C@H]1C(=O)CCC[C@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218376097	YLQARZTXPASVPN-HOSILWTGSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@@]1(CCCCC2CC2)CC=CCC1	2220032011	ZYPJKQDUJHUMTE-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCCc1nccn1CCCCCCC1CC1	2221801606	JKJVSNQBXQPKAY-UHFFFAOYSA-N	248.414	4.586	0	10	BJAE	
CCCCc1nccn1[C@H]1CCC2(CCCC2)C1	2221808936	VFSQPOJQOJOCGX-AWEZNQCLSA-N	246.398	4.511	0	10	BJAE	
C[C@](N)(C[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCC1	2222935816	ZLWVMNSNXNIXLZ-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)C1(CNC2CCC2)CC2(CCCC2)C1	2223559999	PUPPNKXWCBPEON-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CSCC(=O)[C@@H](C)CC	2246093268	WGWOPIXLWAIZPG-STQMWFEESA-N	244.444	4.551	0	10	BJAE	
Cc1sc([C@@H](N)CC2=CCCCC2)c(C)c1C	2246758424	AKBYOWSBBBMYOC-AWEZNQCLSA-N	249.423	4.564	0	10	BJAE	
CCC1CCC(N)(CCCC[C@H]2C[C@@H]2C)CC1	2247176537	PYTGCVGGMBWTEY-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)CCCC1CC1	2248845841	QZWNKHVNERQQAZ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](N)CCCCC[C@H]1C[C@@H]1C	2248879901	PCKSWKNLHAHQEY-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccc(C(C)C)cc1	2250363259	ZABCAQZWSQNYAM-CZUORRHYSA-N	233.399	4.636	0	10	BJAE	
CCC[C@@](C)(CN)CC[C@@H](C)CCCC(C)C	2250466960	LYUAXJNQWBPYFP-JKSUJKDBSA-N	241.463	4.994	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC[C@@H](C)N1	2250476808	QHJKSXXQTVMBAG-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CC[C@](C)(CC[C@H](C)CCCC(C)C)C(=O)O	2250494238	ABDNOBKUKMRIQJ-UKRRQHHQSA-N	242.403	4.730	0	10	BJAE	
CCCCCN(C)CC1CC(CC(C)(C)C)C1	2251584497	GJJZSRCRMMSJFB-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
C[C@H](CCCCN)CC1CC(CC(C)(C)C)C1	2251604853	AISLUWLAGCCQHG-WLYUNCDWSA-N	239.447	4.604	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCCC12CC2)C1CCCCC1	2255223148	BVPUDBGDBZRBPC-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](CC)c1ccco1	2256144770	QQJHQTXKQXDENB-ZDUSSCGKSA-N	247.313	4.544	0	10	BJAE	
Cc1cc(NC[C@@]23CCCC[C@@H]2C3)cc(C)c1C	2258234051	AGYKSYFCSFFKNE-WBVHZDCISA-N	243.394	4.604	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)CCC=Cc1ccccc1	2259438113	OGYPYBLONWXCKS-IAGOWNOFSA-N	246.394	4.667	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1CCNc1ccc2ccccc2c1	2260448151	UWGRJIPHRTUSSG-LAQFHYBYSA-N	239.362	4.544	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@]12CCC[C@H]1CC2	2260638847	PUXLRSCXNOLAFC-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)[C@@]12CCC[C@@H]1CC2	2298696057	UTOYVRXPCUJLTK-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)c1cc2ccccc2s1	2298893139	MVTXDJLEXCZGCL-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H]1CCCCC12CC2	2300703493	GVDMLXVSGHDFHK-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCCNc1cc(F)ccc1C(F)F	2300713306	WAEGSJWEXVZRAH-NSCUHMNNSA-N	243.272	4.532	0	10	BJAE	
CCC(C)=CC[C@]1(CNC(C)(C)C)CC1(C)C	2300860270	FPCSQSRXRKTQFY-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C1(C(C)C)CC1	2300872652	RQEMBIOWOLVCBH-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@]1(O)C[C@@H](C)[C@H]1C)CCCC(C)C	2300911022	FXBKPFCLLPTCCS-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CC(=CC[C@H](N)[C@H]1CC[C@@H]1C)CCCC(C)C	2300940359	RHVWGVSISHHXDJ-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CC1CCCCCC1	2301135444	KOKFQVYRFVCNPF-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CC1CCC(C)(C(=O)[C@@H](C)[C@@H](C)C(C)C)CC1	2301840802	QGTUKRIGICDURR-WJEHIRDRSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCCc1ccc2cc(Cl)ccc2n1	2302229110	PMAGQRDCXKDUDO-UHFFFAOYSA-N	247.769	4.867	0	10	BJAE	
CCCC[C@H](C)C(=O)CC[C@@H]1CC[C@H]1C1CC1	2303155351	BKIQQRZWSVFSDS-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@](CO)([C@@H](C)CCC(C)C)CC1	2303584834	SKSUBVCWCRACKU-JKSUJKDBSA-N	238.415	4.558	0	10	BJAE	
CCC1([C@@H](O)CC[C@@H]2CCC(C)(C)C2)CCC1	2304360049	PONIMUVZSWTKPU-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CC[C@H](O)c1cc(C)ccc1C(C)C	2307567791	WDVABFIPWXGIMU-INIZCTEOSA-N	232.367	4.508	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C)[C@H](N)c1ccccc1	2307900468	GDDILXXRVQNAIX-YCPHGPKFSA-N	233.399	4.539	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@@]12CCCC[C@@H]1C2	2311200091	IGFBRFDKENLSDF-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C)c1ccc([C@@H]2C[C@H]2C(C)C)cc1	2311853166	QHFCUNJCGZLDEN-JQFCIGGWSA-N	245.410	4.507	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@H]1C[C@H]1C1CCCCC1	2313601060	VVAHRVJEFQXVDI-KCXAZCMYSA-N	248.410	4.598	0	10	BJAE	
CCc1cc([C@@H](NC)[C@H](C)CC(C)C)ccc1C	2314694618	MDVKMVVQRJJOIY-PBHICJAKSA-N	247.426	4.500	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H]1C[C@H]1C1CCCCC1	2316511444	SPBHJJYCQPQFIA-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC(=CC=C1C[C@H](N)C12CCC2)CCCC(C)C	2316535042	FZSQTXMWRASGMZ-INIZCTEOSA-N	247.426	4.587	0	10	BJAE	
CC[C@@H](C(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2)C(C)C	2317142405	FYBUFTUHPNFEJF-KLHDSHLOSA-N	248.410	4.620	0	10	BJAE	
C[C@H]1[C@H]([C@H]2C[C@@H](C)Nc3ccccc32)CC1(C)C	2318270240	KVNGOWKPWSTKOZ-PAPYEOQZSA-N	243.394	4.657	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CCCC2=CCCCC2)C1	2318570222	VCTVAOBAZHCVFP-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@H]1CCC(C)(C)C1	2319141009	MXHYKVKAIMKDKW-CQSZACIVSA-N	241.378	4.776	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H]1C1CC1)C(C)=C(C)C	2319548123	AHUCHUKIZZLJNO-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C[C@@](N)(C[C@@H]2CC[C@H]2C(C)(C)C)C1	2320252833	JLMIRCCIVCXFAM-MPTYRVRUSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CC(C)(C)C2CC2)CC1	2320406489	OJFURTOYJYRYKL-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@H](CNC[C@@H]2CCCC[C@H]2C)CC1	2320412540	OPWGNPAJIZSVQP-OIISXLGYSA-N	249.442	4.539	0	10	BJAE	
CCC1(C)CC([C@@H](N)C[C@@H]2CCC(C)=C(C)C2)C1	2320415838	DVXWRPXXZNZQRO-GYXIZQIFSA-N	249.442	4.667	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H](CC1CC1)C1CC1	2320514992	ITLKSSPTPGYLIT-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC1CCCCC1)[C@@H](CC1CC1)C1CC1	2320766235	RVQAEFIMHWZTDI-IRXDYDNUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CCC2CCC3(CC2)C[C@H]3N)C1	2321607164	CYFLUIHGIKJFKI-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC=C2CCC[C@@H](CCN)C2)C1	2321636600	KBMXSRXZRFSCAS-JKSUJKDBSA-N	249.442	4.668	0	10	BJAE	
Cc1ccc(C(C)C)c([C@]2(O)CCCC[C@H]2C)c1	2327696752	IDHYGNZWIPAIGP-PBHICJAKSA-N	246.394	4.516	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)CCCC2CC2)c1	2327699953	VTZBBLJVVVTSOE-KRWDZBQOSA-N	245.410	4.699	0	10	BJAE	
CCCC[C@H](C=C1C[C@H]2CC[C@H]1C[C@@]2(C)N)CC	2327759250	JGOIDSKBBBVPEK-YALNPMBYSA-N	249.442	4.667	0	10	BJAE	
C[C@H](Nc1ccccc1F)c1ccc(Cl)cc1	21060693	DMMHAIXPOIVRNS-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CSc1cccc(NC2[C@@H](C)CCC[C@H]2C)c1	21810648	OUSDGQNXQCYYDM-ODOQXGPZSA-N	249.423	4.645	0	10	BJAE	
Clc1cc(Cl)c2oc3ccccc3c2c1	32165707	LHTCKMYRNOGUOA-UHFFFAOYSA-N	237.085	4.893	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)c1ccc(C)cc1	35540989	XJLPKLSPGXPMHV-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CC(C)C[C@@H](C)Nc1ccc2sccc2c1	36976168	KDSWTTNNSILQJD-LLVKDONJSA-N	233.380	4.748	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cccc(C)c1	37294646	YLLFMNIPIBGBGI-UXLLHSPISA-N	245.410	4.614	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)[C@H]1CCC[C@@H](CC)C1	71163294	SVDALEJMJIDFDS-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@]1(N)CCC[C@H](C(C)C)CC1	83437517	JAWUGLIXVPUGLE-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCCC[C@@H]1C	83948798	XWKLEOVIRNMNQC-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CC(C)(C)CCOc1cccc2ccccc12	85152062	OKZXJENXSRZWNN-UHFFFAOYSA-N	228.335	4.655	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCC[C@H](C)CC1	86882836	FVMZMKXUFLMJOP-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)NCC1(CC(C)C)CCCC1	94874006	RFNBORYYCIGCLA-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1cc2ccccc2c(C)c1C	98090192	JBZFLSWSDAMZOY-LLVKDONJSA-N	212.336	4.970	0	10	BJAE	
CCSc1ccccc1N[C@H]1CCC[C@H](C)C1	103969752	JBTWLFOHLVGRAC-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
CCCC[C@H](CC)CNc1cc(F)ccc1C	110158830	PKOWZJGMZAKIJN-ZDUSSCGKSA-N	237.362	4.762	0	10	BJAE	
CC(C)(C)c1ccc(Cl)c(C(C)(C)C)c1	111350361	ADQRIEIXADCLKG-UHFFFAOYSA-N	224.775	4.935	0	10	BJAE	
CCCCC[C@@H]1C[C@H](C)c2ccccc21	111898729	WYJGPGQXRYNHKF-QWHCGFSZSA-N	202.341	4.858	0	10	BJAE	
CCC[C@@H](C)C(=O)c1ccccc1C1CCC1	128273324	ZKCNYXXJAANBEQ-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CCCNC[C@](C)(CCC)CC(CC)CC	128409505	SXLQEZLHZKGDDW-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCCC[C@H](C)[C@@H](NCC)c1ccccc1	128550679	YKGLDAUIGUXGAN-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
Clc1ccc2ccn(CC3CCCCC3)c2c1	128916705	NHNJEZFUXFANBQ-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCC(CC)c1ccc(Cl)c(Cl)c1	146651932	WDYRVCRLTBEHOU-UHFFFAOYSA-N	217.139	4.897	0	10	BJAE	
Cc1ccc(CC(C)(C)C)cc1C(F)(F)F	168430794	NRYKWTZTQBQBHC-UHFFFAOYSA-N	230.273	4.602	0	10	BJAE	
CCCNCC(CC)(CC)CC1CCCCC1	203429139	TZUZZRHCCIUTTB-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](c1ccccc1)C(C)C	212662605	TXXIJDRKJVGHRT-DLBZAZTESA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@@H](C)[C@@H](C)C1	220606459	JIGSDVVJPWHTAZ-UGUYLWEFSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H]1CCC[C@@H](C)C1	221667914	YSWMOADFWJOALB-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC[C@@H](O)c2ccccc2)C1	227236613	MTQNKHWMJNOAHL-BFYDXBDKSA-N	246.394	4.717	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H]1CC[C@@H](CC)C1	227551302	VNAFVDASHHBKRA-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)C(C)(C)CC	228728835	ZHFSFFXDIMOBAL-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C1=CCCCC1	233162519	FQTZRVZENZUPIU-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)C1CCC(C(C)(C)C)CC1	233287968	PZNDISFPUORXMG-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNCC2(C)CCCCC2)C1	235664564	LHCLVAOIOBSLDL-ZBFHGGJFSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1[C@H](C)CC[C@@H]2C(C)(C)CCC[C@]12C	238747721	CVRSZZJUWRLRDE-QVHKTLOISA-N	208.389	4.885	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H]1CC[C@H](CC)C1	300128059	AZCDVYCSIMNGJB-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1cccc(Cl)c1	300830442	IDYOZWPMHWIDFH-ZDUSSCGKSA-N	240.774	4.590	0	10	BJAE	
CN[C@@H](c1ccccc1)[C@@H](C)CCC1CCCC1	302247618	JHEJMGAKDACLQP-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)c1ccc(C(C)C)cc1	302272589	DEVOVMPVFKLYRN-WMLDXEAASA-N	247.426	4.882	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc2c(c1)CCCC2	302365418	LIJYJGPBPKYGET-CYBMUJFWSA-N	244.378	4.574	0	10	BJAE	
CC(C)C(C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)C(C)C	304347322	GAKTZCCMURENBL-MELADBBJSA-N	238.415	4.556	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)C1CCCCCCC1	305905975	CTOUWDGKCJZYSA-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@@H](O)CCC1CCCCC1)C(C)(C)C	306024770	YZUZLMJUPGLKEK-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](NC)c1ccc(C2=CC[C@H](C)CC2)cc1	306095665	MILGQZOQPDDHRV-SUMWQHHRSA-N	243.394	4.561	0	10	BJAE	
CCOc1ccc(Cl)c2c(Cl)csc12	307288930	DTTZOJZSPXBLNE-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCCCCC[C@H](N)[C@@H](CCC)CC(C)C	308050313	KUQUEPLIVPOIOH-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1ccsc1Cl	308348721	JPAGAYNWCQHGME-JTQLQIEISA-N	246.803	4.651	0	10	BJAE	
Clc1sccc1N[C@H]1CCc2ccccc21	309526440	UZJLFBXOUVNAQM-NSHDSACASA-N	249.766	4.501	0	10	BJAE	
C[C@@H](C[C@@H]1C[C@H](C)CCC1=O)C1CCCCC1	310464394	GEJLBXCFLXXTLY-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)CCC(C)(C)C)c1C	310575629	AHTPOVSSCCXGHA-HNNXBMFYSA-N	248.410	4.780	0	10	BJAE	
CCCC[C@@H](C)N[C@@H]1CCCC12CCCCC2	313094824	CZLXSBAPLGILMY-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCCC1CCC(CCC)(CNC2CC2)CC1	318207444	QSHAQPZNBFHUSD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCNCC1([C@@H]2C=CCCCCC2)CCCC1	318654097	SXPMEAAICFGFHD-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)[C@@H](C)n1ccc2ccc(Cl)cc21	319650690	RKUFMPOUDOWXCY-WDEREUQCSA-N	235.758	4.902	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H]1CC[C@H](CC)CC1	328430311	DWZYOEMYPACSJQ-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](Nc1cccc2c1CCCC2)C1CC1	381021386	XNZWPWLSCXRRBC-INIZCTEOSA-N	243.394	4.556	0	10	BJAE	
CCCN[C@H](c1ccccc1CC)[C@@H](C)C(C)C	381167473	JNQQQCOTZYALFX-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(C)cc1OC	383968659	PZLSKCKHRQYXAS-CQSZACIVSA-N	249.398	4.632	0	10	BJAE	
CC(C)CNCC[C@@H](C)CCC1=CCCCC1	385016652	ZALBBADXMJXWKR-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@H]2C[C@H]3CC[C@H]2C3)cc1	385367867	MYQHWDXXPQAWDD-HPZZRFSDSA-N	244.378	4.768	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H]1C[C@H]1CC(C)C	388220711	PIIWOMIYVWNNQM-ZBFHGGJFSA-N	244.378	4.504	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)c1cccs1	391212324	KMEDYKHGMAUEPO-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
CCCC1(CN[C@H]2CCCC[C@@H]2CC)CCC1	391808067	LUQARMOOPJUBLT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)CCNc1cccc(O[C@@H](C)CC)c1	394417788	WECDWAGHZNYHGM-KBPBESRZSA-N	249.398	4.712	0	10	BJAE	
CCCNC/C(=C/[C@@H]1CCC[C@@H](CC)C1)CC	394515248	LXTWBWDGJTWLJR-BTAXDJAESA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)C(CC)(CC)CC	395111116	BTKZRMWZEVPNDF-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCCCC1CCCCC1	395214499	LSZSPUBLSHNVDM-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCc1c(F)sc2ccc(C(F)F)cc12	396197320	LXHNAPOIJIGBTN-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
C[C@H](CNc1cccc2ccccc12)C1CCC1	398627372	IKVIHIRPTKTSNZ-CYBMUJFWSA-N	239.362	4.688	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CCCCNCC(C)C	401615924	NMBORPWRYICXIX-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CC(C)(C)C1CC1	405826402	ZMUYYEPGYFHZLU-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CCN1CCC[C@H]1c1ccc(C)o1	441378672	NWLHVEDKPAIKKX-AWEZNQCLSA-N	249.398	4.551	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CC2CCC1CC2	689720136	SISFBCSWKRTQTL-LHUBUQBQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CC2CCC1CC2	691759221	OJPVCTLXMGJHHK-WNZFAQLISA-N	248.410	4.598	0	10	BJAE	
CC(C)CC(=O)[C@H]1CCCC[C@@H]1c1ccccc1	695074467	OZOSQIXAOJQEIG-CVEARBPZSA-N	244.378	4.576	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@@H]1CCCC2(CC2)C1	695716630	LWFLLQLLJBNREO-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCCC2(CC2)C1	695761974	VNJSTEHJGQFCHH-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@H]1CCCCC1(C)C	696562112	QDWQMCWLRDIBNI-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CCC(C)(C)CC	696732454	ZNWWHVIPCGSTBF-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCCC2(C)CC2)CC1	698177365	SFZPKDPNKMIJAE-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCc1ccccc1OC1CCCCCC1	699483237	PSNADRIHHHXYBH-UHFFFAOYSA-N	232.367	4.741	0	10	BJAE	
CCN[C@@H](C(C)(CC)CC)C1(C)CCCCC1	701160428	VSBLGSNUCZWYKO-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCNc1cc(F)cc(Cl)c1	703991676	PHVUNZWTDDESHE-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccc(C)cc1Cl	704562036	RQDTVFQKZFVJHG-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CC(C)=CCC[C@@H]1C[C@H]1c1ccccc1	704571395	BBEAEJXEVVUQIM-CABCVRRESA-N	200.325	4.537	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@@H]1CCCC[C@H]1C	704845678	SVSHEUNXUKQAQQ-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@H](N)C1CCC(C(C)C)CC1	704890366	AGQHVTUVBSWQIW-GPANFISMSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccco1	708313215	ZWEFWZIGXWPSKV-MCIONIFRSA-N	249.398	4.535	0	10	BJAE	
CC[C@@](C)(CNC(C)C)C[C@@H](C)CC(C)(C)C	709105757	NBVHYQDYXLVWEV-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H](C)CC(C)(C)C	709122381	ISQWPYZEYOEWPS-HOCLYGCPSA-N	241.463	4.994	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC(C)(C)C(C)(F)F	709136902	VSXXNNOTOXPIQK-SNVBAGLBSA-N	248.357	4.699	0	10	BJAE	
C[C@H](C[C@H](N)CC1=CCCCC1)CC(C)(C)C	709182562	CQIHYQPNWDBXEB-HIFRSBDPSA-N	237.431	4.667	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@H](C)C(C)(C)C	710757363	ICFAGZCKLIHGNV-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
Cc1cc2nc(Cl)c(C(C)(C)C)cc2s1	710832686	WTIHAFHSHQTPJV-UHFFFAOYSA-N	239.771	4.556	0	10	BJAE	
CCC(C)(C)CC1(CNC2CC2)CC2(CCC2)C1	713160148	NCNUANAJUWVKFI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)CC(C)(C)C1CC1	718507879	QMTBEITUNKJHRN-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCC(C)(C)CC1=O	719176013	BTAROZMMZFIKTD-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCCCCC[C@@H](NC)c1c(C)csc1C	724963565	XGVUHFGYRPKIBB-CYBMUJFWSA-N	239.428	4.596	0	10	BJAE	
C[C@@H](CN1C2CCCC1CCC2)C1CCCCC1	1191021561	HMJRMFHJPHQEMG-OOHWJJMZSA-N	249.442	4.610	0	10	BJAE	
CC[C@H](C)CCN(C)Cc1ccccc1C(C)C	1875782465	PNGRWXOLYBLBFV-HNNXBMFYSA-N	247.426	4.678	0	10	BJAE	
CC(C)CCCc1cc(F)cc(C(F)F)c1	1901881903	XSPRGOVISJVQQR-UHFFFAOYSA-N	230.273	4.742	0	10	BJAE	
Cc1cc(-c2cc(F)ccc2C(F)F)cs1	1901897654	MZRWTTHBALLGMM-UHFFFAOYSA-N	242.265	4.800	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC[C@H]1CCC	1905369794	UFTNZIPKNRUDPZ-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CCCC1(C)CC1	1907592568	CWFWCQZVJPDDNB-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)c1cc(C)cs1	1912014961	ADMWFONZGKUCKO-CQSZACIVSA-N	249.423	4.620	0	10	BJAE	
CCC[C@H](C)[C@@H]1CCCCCCCCC1=O	1913390530	QPNSOPWKPHYYQU-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCC2(CCCC2)C1	1916397933	NIFBKYGPBWZSJZ-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CC([C@@]2(N)CCC3(CCCC3)C2)C[C@H](C)C1	1916440974	YBBVKYIDYIDKSK-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@]1(CCC2CC2)CCCC12CCC2	1921609765	INFJJANOUDZECF-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2C=CCCCC2)CC1	1925821562	VXUMQYQBASOLLL-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCNc1ccc(OC(C)C)cc1	1926188039	YSFCOTZLGYIKEZ-UHFFFAOYSA-N	249.398	4.712	0	10	BJAE	
Cc1cc(N[C@H]2[C@@H](C)[C@@H](C)CC[C@H]2C)cs1	1935907777	GHXNFSNGTUFWJN-HEQLZXTPSA-N	237.412	4.539	0	10	BJAE	
CCCC[C@H](CCCCCCC1CC1)NC	1939111465	NJHAQPWJFDMQBU-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@H](CCCC1(C)CC1)NCCC	1940864933	RPZBVLIWOLZKOP-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCC[C@H]1CC1(C)C	1940876248	LFVSLNFYUPBMHI-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C(=O)CCC[C@@H]1CC1(C)C)C(C)C	1941261357	QXYDAIOUHYSVOO-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@H](CC(C)C)C(C)C	1941267992	ZJSQVXMPIGAADH-CVEARBPZSA-N	239.447	4.639	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)CCC1CCC1	1941474724	ZOEMYOUOMRBNAG-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CNC(CC(C)C)CC(C)C)C(C)C	1941926208	LYXAVOALCQLRRU-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)C1CCCCC1	1947462423	NLYVALPRSDTHPM-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)NCCC1CCCCC1	1948327403	PARWKBPWHREKDC-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C1CC(C)(CC)C1)[C@H](C)CCC	1948412648	GQWMQIZRNMMUDB-YHNBSYBMSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CC(C)=C[C@H](C)C1	1949008508	CTKZLMUSIDYAJS-QEJZJMRPSA-N	237.431	4.523	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCC(C)(C)C[C@H]1C	1949047229	OYWUTGIZIASOGU-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCC(C)(C)C1)C(C)C	1949551236	JAFNADQXUYFFMU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CC2(C)CCCC2)CC1	1950930057	MIBCAZGPNWDZBC-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cc(C)c(Cl)s1	1960261131	NGEKVDJBSXGWDE-JTQLQIEISA-N	245.819	4.536	0	10	BJAE	
CC[C@H](NC[C@H]1CCC(C)(C)C1)c1ccccc1	1963322000	CHZNPOGKRVBWQJ-HOCLYGCPSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCC2CC2)c(Cl)c1	1968290270	YNSJJMLNIMZXQT-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1CC[C@@H](C)C1	1968350535	UYOQQOQFLCRYMA-UKRRQHHQSA-N	246.394	4.933	0	10	BJAE	
CCc1ccccc1N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1968360165	MTRJSSYLXUEGQD-MUJYYYPQSA-N	243.394	4.630	0	10	BJAE	
CCc1cc(NCC2CC3(CCC3)C2)ccc1C	1969678432	AHYVHWGQWYBCRD-UHFFFAOYSA-N	243.394	4.550	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1	1970678452	GPUWPTMTHABWNI-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CC(C)CN(CCC[C@H]1C[C@@H]1C)c1ccccc1	1970691978	OVFRPNUCBGDCGJ-HOTGVXAUSA-N	245.410	4.585	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@@H]1CCCCC12CCC2	1972828983	GXQGYPYTVYLFJW-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cc(C(F)F)cs1	1977078798	NUCUVLQPRJKPAG-LDYMZIIASA-N	248.338	4.545	0	10	BJAE	
CC(C)C[C@H]1CC[C@H]1Nc1ccc(Cl)cc1	1977424005	UHSKWFUTQPMZEZ-BXUZGUMPSA-N	237.774	4.577	0	10	BJAE	
Cc1cc(NC[C@@H]2CCC=CCCC2)cs1	1978297589	CXCXBDRZJKQTME-CYBMUJFWSA-N	235.396	4.605	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1CCC[C@@H](C)C1	1978428166	HJVZHQRXYUYEDN-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](O)C1(C)CCC(C)(C)CC1	1983318109	HSNNLADGYRZYKB-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CC=CCCC[C@@H](CCC(C)(C)C)NCC	1984619583	VZHFJWCHKRPNKK-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
Cc1c(-c2cscc2N)sc2ccccc12	1987563952	DMIRVVUMFQLUQZ-UHFFFAOYSA-N	245.372	4.520	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@H](C)[C@@H](C)CC	1990887536	IIWILNFJDLAFDU-UONOGXRCSA-N	227.436	4.568	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)C(CC)(CC)CC	1993070655	WRMMCBULPJSUBO-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCc1coc2ccc([C@@H](C)CC)cc12	1995443991	GEUBWIHKLRANHR-NSHDSACASA-N	216.324	4.899	0	10	BJAE	
CCCC(C)(C)[C@H](CCC[C@@H]1CC1(C)C)NC	1996611580	SLJRKGZTNFAXPB-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1ccc2sccc2c1	1996618233	SCZHYWJOUCCOQL-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CCC[C@@H](CC[C@H]1CCC=CCCC1)NCC	1999995703	IHRDIFSFNYKZTK-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)[C@H]1CCCC(C)(C)C1	2000054629	AWAAJKFTEIXAPT-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CN[C@@H](C)[C@H]1CCCC(C)(C)C1	2003028752	YDXKRLZWTUXHFA-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC=C(C)C)C1(C)CCCCCC1	2004230521	XWMJJBDIVWNQLR-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC1(CC)CCC([C@@H](CC(C)C)NC)CC1	2004337812	WEWHSWBKQORQGA-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CCC(N)([C@@H]2CC[C@H](C)C2)CC1	2004340457	AOVSRVDSRTZOMD-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@H](C)C1CC(C)(C)C1	2004711420	JMZDDQQITOUKGF-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CO)CCCC[C@H]1C	2005586725	PXIARXWEBJSEKJ-OWCLPIDISA-N	240.431	4.782	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H]1CCCCC12CC2	2005599177	GTYYWGNGRCAYPR-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](O)[C@H]1CCCCC12CCC2	2005599538	ICEGTXVINOUVPD-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)=C(C)[C@H]1N	2006896822	GOAAVBGHUIYZLS-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
CC=C(C)[C@H](NCC)c1csc2ccccc12	2007861233	LDGSCOAVUHKDHB-HNNXBMFYSA-N	245.391	4.518	0	10	BJAE	
C/C=C/C[C@@]1(CNC(C)C)CCC[C@H](CC)C1	2008071157	BFFSWQXLKJKVON-HRNFOAQLSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1(C2CC2)CCCC1	2008477184	JGJDDYSONDRLLC-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC)CC(N)(CCC[C@@H]2CC2(C)C)C1	2009306726	PZUPMBMQFIOCKN-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@H](N)C(C)(C)C1CCCCC1	2009629224	QFPYPRQZOAFCMR-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H]1CCCC1(C)C	2009635642	PRXQIVAIGVECLL-SJKUQHEZSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC([C@@H](CC(C)C)NCCC)C1	2009804483	MAQYZMKCMZDHLT-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](N)(CC)C1=CC[C@@H](C(C)C)CC1	2010735322	BYRQWDWXDDBAQV-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
Cc1cc(Cl)ccc1NCC[C@]12CCC[C@@H]1C2	2010995296	OGOPZHLMXRQMDI-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CC=CCCCN[C@H]1CCCC[C@@H]1C(C)(C)C	2011443889	KSPLJLNHNPRNGW-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)C=CCC(C)(C)C1	2012049101	BHNHCDHNYMKPQD-CZUORRHYSA-N	237.431	4.523	0	10	BJAE	
CCN[C@@H](C)C1CCC2(CCCCCC2)CC1	2013211344	JIBAVEWPJLYYAP-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CC1CCC(C)CC1	2013271085	ONXJWTNYPPIJKW-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1CCCC(C)(C)C1	2013528834	PEWRKENHSLTTTB-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1c(C(=O)[C@@H](C)C(C)C)sc2ccccc12	2014306707	SHRLBZMVJIRPOJ-JTQLQIEISA-N	246.375	4.685	0	10	BJAE	
C[C@H](NCC1(C)CCCCC1)C1(C)CCCC1	2014340310	QDDNHLLAJLHEMP-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)CCC1CCCCC1	2014882739	PVZSSYKYEOYTIX-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CCC(C(C)C)C(C)C	2015336043	OOZUHYDEPKUMAK-HNNXBMFYSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(CC(=O)[C@]1(C)C=CCCC1)C(C)C	2015385620	GJDSXUSQOMDSHY-MRXNPFEDSA-N	236.399	4.620	0	10	BJAE	
CCC1(C[C@](C)(O)C2CCC(C)CC2)CCC1	2015584238	GFNLWRAWOZBFNY-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@]2(N)C[C@@H](C)CC[C@@H]2C)CCC1	2015641287	CARBIHXTXMUMPB-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCc1ccccc1N[C@H](C)CCC=C(C)C	2016144855	MCFYCTYVGAYQGQ-CQSZACIVSA-N	231.383	4.796	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccc(F)cc1C	2016146682	ZAYFVRYSXFUHTG-CYBMUJFWSA-N	235.346	4.681	0	10	BJAE	
CCC(CC)(CC)CNC1(C(C)(C)C)CCC1	2017092857	AQLBTTXYXFJARV-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC)C[C@H]1CC[C@H](CCC)CC1	2017723181	JHGWDQHGAXJPES-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(CC(=O)C[C@H]2C[C@@H]2CC)CC1	2017768334	CDRAMZKHFLNRHC-PFSRBDOWSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)C1CCCC1	2018992273	PEFVGPKLBFJTFF-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CN(CCC1=CCCCC1)C1(C)CCCCC1	2019344968	VKOAFWIHIMQXHG-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCCCCCC(=O)[C@H]1C[C@@H]1C1CCCCC1	2022417051	IVRIPTGTXUQWRE-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
CC(=O)c1ccc(C)c(-c2cc(C)c(C)s2)c1	2023982389	NJBFVOLCOHNOJP-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CC1CCC(N)(C[C@H]2CCCC(C)(C)C2)CC1	2024097084	WQYTVRMCPNAVHT-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CCC1CC(CCN[C@@H](C)CCC(C)(C)C)C1	2025374424	FXGGLQBFZBNMLU-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC1CC(C)(F)C1	2026071918	BNGFSMXWXGQTGQ-DNOWBOINSA-N	242.378	4.690	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C1[C@H]2CCCC[C@H]12	2026083329	ZRFKHMLYIQJXAY-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)CN1CCC[C@@H]1c1ccccc1	2027029003	ZATGWDOESCPCBP-MRXNPFEDSA-N	245.410	4.506	0	10	BJAE	
Cc1ccc(C(=O)CC2(C)CCCCC2)c(C)c1	2027295783	IOGRBVSELAJYNY-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)c1ccccc1CC(C)C	2028931091	RMXWMZKOVUCVJG-ZQIUZPCESA-N	248.410	4.601	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C2(C)CC(C)C2)cc1	2029108408	OUXUCDGLEBUTLS-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2[C@H]3CCCC[C@H]23)CC1	2032780651	WOKPAFNINVCLCE-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](CC)c1ccccc1	2035398783	AOUXRGYEZDPCMP-PVAVHDDUSA-N	245.410	4.696	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)[C@H]2C(C)C)c(C)c1	2035413049	UKSJMHIEZSPVPR-IAOVAPTHSA-N	245.410	4.786	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@]2(N)CCCCC23CCC3)C1	2035922860	HFZFVKPHZZFWAS-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
NC1(C2=CCCCCCC2)C[C@H]2CCCC[C@@H]2C1	2037076773	FXRVMXWDYDLJBG-HUUCEWRRSA-N	247.426	4.565	0	10	BJAE	
CC1(CCC[C@]2(N)CC[C@H]3CCCC[C@@H]3C2)CC1	2037179322	KPJMJWLOSLMDKP-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC([C@H](N)CC2CC3(CCC3)C2)CC1	2038078778	OGGMAGKSWDOEDW-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1N[C@H]1CCC2(CC2)C1	2038580122	SNISOPUBLOJWFS-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CC=CCC2)CC1	2039380229	HBGZXVKZOMFGQW-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)C2(C)CCCCC2)o1	2039861615	HCLTXTAFZYIHTE-KGLIPLIRSA-N	249.398	4.598	0	10	BJAE	
C[C@H](CCC1CC1)NC[C@@]12CCCC[C@H]1CCC2	2040320793	BABFTZVUVYRWAC-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@@]1(C)CC=CCC1	2042073628	BXVBYDWQQXNGFR-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H]1C[C@H](C)CC[C@@H]1C	2043194917	QAQDDHNIKBSLSS-AESZEHBQSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)C[C@@H]1CCC=CCCC1	2045320030	JJVCOGGYRUAGSF-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC[C@H](CN)[C@@H](C[C@H]2CCC=CCCC2)C1	2045330471	WOQNPKGHVIWZII-YYIAUSFCSA-N	249.442	4.524	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NC1CC2(CCCCCC2)C1	2046233876	UPPWWCLKYDKNOM-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)c1ccccc1O[C@@H]1CC[C@H]2C[C@@H]2C1	2047346055	GZSGBFKNNYREGU-BFHYXJOUSA-N	244.378	4.552	0	10	BJAE	
CC(C)(C)C1CC([C@@](C)(F)c2cccc(N)c2)C1	2048631227	QNIULLCANISUTC-ZUEPYMLJSA-N	249.373	4.526	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C1[C@@H]2CCCCC[C@@H]12	2049213599	CPWTYEIDNRRBJO-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@@H]2CCC3(CC3)C2)CC1	2049848363	IPHDJHMTPWFLEJ-BHDPWAOGSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(CCCC2CCC2)CCCCC12CC2	2053358578	PVKVOGFIJOEDEN-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)(CC[C@@H](N)[C@H]1CCCCC12CC2)C1CC1	2053421672	XFTWBALZKUBWFN-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1NC1CCC(C)(F)CC1	2053903735	MTKHTSBZXHSBTA-UHFFFAOYSA-N	249.373	4.893	0	10	BJAE	
CC[C@@H]1C[C@H](C[C@@H]2C=CCCCC2)C[C@H](NC)C1	2055036503	XNJGVCMJLGRHBU-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C=C(C)CCC1	2055547699	VSNIFZZFTDSQPZ-SJORKVTESA-N	249.442	4.824	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C=CCC[C@H]1C	2055569823	JNUQHEDQDOSZCW-DJIMGWMZSA-N	249.442	4.680	0	10	BJAE	
CCC1CC(C[C@@]2(N)CCCCC23CCCC3)C1	2056646161	SBQMBIOOVQUYAZ-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)C1CC(C)(CC)C1	2056870120	HZPSWNNGCRPSPM-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@H]1CCC2(CCC2)NC1)C1CCCCC1	2057367106	OTUHTAKCJXLSFR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)[C@H]1CCCCC12CCC2	2059171577	IWSRNAPQJRXRTK-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C1(C2CCC2)CC1	2059220630	COCTYEBIBSXAMZ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(Cl)ccc1Sc1ccccc1	2060343513	MPJDJDYHPQOABZ-UHFFFAOYSA-N	234.751	4.800	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](NC)C2=CC[C@@H](C)CC2)CC1	2060920848	HLGIWXKXWNRLLV-SRABZTEZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CC1)C1=CC[C@H](C(C)C)CC1	2061088501	NHQKCDRAYRQCNQ-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@@]12CCC[C@H]1C2)C1(C)CCC1	2061574427	HIALKUWPJDTWDO-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@](CC)(CN)CC1CC(=C2CCC2)C1	2061737915	WKYYTNGQQYNVSP-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C12CCC(CC1)C2(C)C	2062625458	PKZHALQQQSDHRI-YRFCHQJDSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(N[C@H](CC)c2occc2C)c1	2063670083	ADUCYUGKLOZKSR-OAHLLOKOSA-N	243.350	4.714	0	10	BJAE	
CCCC[C@H](CC)CC1(CN)CC2(C1)CC21CC1	2064010719	RFIXULAOMJPMRM-UQPPLGOBSA-N	249.442	4.502	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1CC2(C1)CC2(C)C	2064133587	WKSNQUAUDAGDEK-JZLYGMAVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC23CCC(CC2)CC3)[C@@H]1C	2065339344	LKUQVBRRUZIARP-AKNDPVLGSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC[C@H]1C[C@@H]2CC[C@@H]2C1)CC1CCCCC1	2068772035	TXOHMWDCTIZFRS-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1([C@H](N)CC[C@@]23CCC[C@@H]2C3)CCC1	2071939110	WHCYHSZXCJDNGX-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1(C(C)C)CCC1)[C@]1(C)CC=CCC1	2071942568	FSYNNRDRUCUIEK-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CC[C@H]3CCCC[C@H]3N2)CC1	2072809584	OYFAHFBDIDIUNI-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@H](Cn2ccc3cc(F)ccc32)CC1	2072877004	COPDJUOEMLOROF-JOCQHMNTSA-N	245.341	4.607	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@@H]3CCCC[C@@H]3C2)CC1	2074627657	WXUZCWIBWLPUFW-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@@H]2CC[C@@H](C)C2)o1	2077973858	UMPYSLIPRCZZJA-CHWSQXEVSA-N	248.366	4.631	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](CC1CCC=CCC1)NCC	2079435477	OEDNYYCJDLGWCP-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(N)(C[C@H]2C[C@H]2C2CCCC2)CC1	2079666773	SPXPILTVEWYACH-YTWPKEEVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2C[C@H]2C2CCCCC2)C1	2079668821	CPWXRYZSXVDPLM-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1CCC(C)(C)C[C@@H]1C[C@@H]1C=CCCCC1	2083034938	DVDDELRWGRDZIZ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)C(=O)CC1C2(CCC2)C12CCC2	2083514388	FSNGBYFCWFPEPU-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@](C)(CN[C@@H](C)CC)C(C)C	2212584516	AIXBRIZEOVFARR-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
C/C=C/CCCNc1ccc(Cl)cc1CC	2212651427	JRWJKRPCXVEPDD-HWKANZROSA-N	237.774	4.671	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1C=CCCC1	2213581628	YWHHDIIFLQADDH-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@@H](C)CCC	2214586764	XFJOIWGKWSYYHB-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
Cc1ccn([C@H]2CCCC3(CCCCC3)C2)c1	2214626442	NHHTTXHEVHFJOC-HNNXBMFYSA-N	231.383	4.862	0	10	BJAE	
CC(C)=CCC[C@]1(O)CCC[C@@H](C(C)(C)C)C1	2216255683	DXSSEJXBSWWTLP-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218336244	BEBWGIZAMBPAIM-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC12CC(N)(CCCCCCC1CC1)C2	2218717384	CURFMVKXFKGPEQ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCCCCCCC1CC1)c1ccco1	2218723734	HAOJCBLLAQGDFR-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
COC[C@H]1CC[C@H](CC/C=C/c2ccccc2)C1	2219069746	LFIBXTHHQWPTFU-ZTXDWSKGSA-N	244.378	4.543	0	10	BJAE	
C[C@](N)(CCCCC1CC1)[C@H]1CC2CCC1CC2	2220028204	PWUSUKXRGBGSEY-GQGLESIBSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccc(NCCC2CC(F)C2)cc1	2220650519	XFUKUXDJHYMXRU-UHFFFAOYSA-N	249.373	4.534	0	10	BJAE	
CC(C)c1cc(N[C@H]2CCCCC[C@@H]2C)ccn1	2220886138	UIPNDQFDMLMKKK-ZFWWWQNUSA-N	246.398	4.586	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2CCCC2(C)C)CC2(CCC2)C1	2221031530	HGEVPRXXJUQZOM-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@]12CCC[C@H]1C2	2223129644	FFDKWGFNAPQSHK-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C[C@@H](N)c1ccc2occc2c1)C(C)(C)C	2224154636	BNFLOXFHHCHEQJ-BXUZGUMPSA-N	245.366	4.505	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNc1cccc(Cl)c1	2243031139	QHTOKXPSXLJEAP-VXGBXAGGSA-N	237.774	4.578	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C[C@@H](C)C2CC2)C1	2246663927	NUULHQRGLPVVQU-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@]1(N)CCCC(C)(C)C1	2247175241	ISOCPQBQJOUNMZ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)c1csc(C2CC2)c1	2248074074	LGLJWDLAACSZIJ-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
CCc1cc(Cl)ccc1-c1ccc(O)cc1C	2248360114	XKLJJSWPSKXICT-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CCCCC[C@H]1C[C@@H]1C	2248854987	QQZOFJKHJWILIA-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)CN[C@H]1C[C@H](CC(C)(C)C)C1	2250386790	XOXXIZRBCZYYGG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CNc1cc(F)c(C)c(F)c1	2250389952	NVAVKQQPVXLFKB-LLVKDONJSA-N	241.325	4.511	0	10	BJAE	
CC[C@@H](C)[C@H](N)CCC[C@H](C)CCCC(C)C	2250472074	BUXKDWFFWBJUCB-BZUAXINKSA-N	241.463	4.993	0	10	BJAE	
CCC1([C@@H](O)CC[C@@H](C)CCCC(C)C)CC1	2250475390	KBBWKPJLUANMJI-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC1=CC[C@H](CC[C@H](C)CCCC(C)C)[C@@H]1N	2250481558	NDWCSTXDWYXAPD-VNQPRFMTSA-N	237.431	4.523	0	10	BJAE	
CC(C)=C(C)CCc1cccc(CC2CC2)c1	2251355088	SVCZMWZKBJZANH-UHFFFAOYSA-N	228.379	4.928	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCC(C)(C)C2=O)C1	2251712740	OMFJFJSWGCRQMY-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1C[C@@H]2CCC[C@H]2C1	2254592650	NNWSSGHTMLSSKV-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C)(CNCC2=CCCCC2)CC1	2255135710	CRIUGIWRZLZCFT-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CN[C@H](CCC1CCC1)CC[C@@H]1CCCC12CC2	2255241556	PFJYAMWTXMOYMA-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@@H](C[C@H]2CCCC23CC3)NC)CCC1	2255250688	YRRKKDSTXKSJHM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(CN)CCCC12CC2	2257280508	GEXUJJPUMFGTKO-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CC(C)C1CC(Nc2cc(C3CC3)ccc2F)C1	2259127173	PZFFJOKGEJZGEC-UHFFFAOYSA-N	247.357	4.550	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@@]23CCCC[C@H]2CC3)C1	2260625639	SUIAPRHNISGINZ-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CC(C(=O)C[C@]23CCCC[C@H]2CC3)C1	2260626017	PYUFQJRYFZKBHI-UMPYDWHISA-N	248.410	4.598	0	10	BJAE	
C(CCCN[C@]12CCC[C@@H]1CC2)CCCC1CC1	2260638313	MPTLDOMQAYZSGC-SJORKVTESA-N	249.442	4.659	0	10	BJAE	
CC(C)c1ccc(OC[C@@]23CCC[C@H]2CC3)cc1	2260648050	QVMZQHAMHJKDHY-RDJZCZTQSA-N	244.378	4.769	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@@]12CCCC[C@H]1CC2	2260678047	IWFXRGFPURJMAE-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CC(C)C1)C[C@H]1CC=CCC1	2261494098	WSBLNOUCJOPXOA-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@]1(O)CCCCCC1(C)C	2298861479	MIYHBSLFTCNTHC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H](C)CC1CCC1	2298918164	VNBAKJKBJVTHJQ-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(CO)CCCCC12CC2	2300675901	JHPWGUPWVZTSSG-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCC(C)=CC[C@@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	2300872389	PHPYUGSKCNLVBC-IIAWOOMASA-N	238.415	4.556	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@@H](CCC)CC(C)C	2300881038	OALLVACRARJHAG-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCN[C@H](C)[C@@H](C)CC=C(C)CCCC(C)C	2300902526	VKNYEEMLUYIQJO-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
NCC[C@@H]1CCC[C@H](CC2CCCCCC2)C1	2301244233	KNAPPHLMHARGPN-JKSUJKDBSA-N	237.431	4.502	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@@H]1CCCCC1(C)C	2301838786	FXSQNEYMXXJADB-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CCCCCN1CCCC1=CCCCC1	2302350970	CKTZSDBCXYJLDV-HNNXBMFYSA-N	235.415	4.532	0	10	BJAE	
O[C@@H](CCCCCC1CC1)CCCCC1CC1	2302584636	JYTVNIQNOJHSEE-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)[C@@H](C[C@H]1CCC(C)=C(C)C1)NC	2303594076	BYZJZJYNDQZKLI-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](CC[C@H]2CCC(C)(C)C2)C1	2304422305	HFISFNFBYFVQPL-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)NC[C@H](C)CC[C@@H]1CCC(C)(C)C1	2304427552	GAYPMBGFLRMWRV-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)N(C)CC[C@@H]1CCC(C)(C)C1	2304438850	FMUPONGAQSSPFX-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCCNCC1(C[C@H](CC)CCC)CCCC1	2307764601	YUYZFCWXLPZNOW-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CNC1CC1)C(C)(C)C	2307830719	FFMKCMNONKKNQL-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@@H](CC)CC(C)C	2307911602	WRKLMAFMAWCZFC-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC1(C[C@@]2(N)C[C@@H]3CCCC[C@]3(C)C2)CCCC1	2308397485	QVUPKPDDPUCHDX-UAGQMJEPSA-N	249.442	4.645	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@](N)(C=C1CCCCC1)C2	2309917143	UXZUVIYWGISPCB-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)C[C@@]12CCCC[C@@H]1C2	2311161794	JOBSNOVAJCPGMD-UTSKFRMZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](C[C@H]1C=CCCCC1)NCC	2311511641	DSNZPUBRKUVEQV-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC[C@@H]1C[C@H]1C1CC1	2311745404	BRDLMWUGJPYQFQ-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2313324402	TXJZDZHMNUXHHY-FSDCSDTHSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1CCCC[C@]1(C)NC[C@@]12CCCC[C@@H]1CC2	2313324862	DOJRZYKGPUEGKG-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@]1(C)NCCC1=C1CCC(C(C)(C)C)CC1	2315203143	PRNUAGZTDDMEKT-FBMWCMRBSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@@H](N)[C@@H]1CC=CCC1)CCCC(C)C	2316500925	AXQKVJMCCFFYRQ-IAGOWNOFSA-N	249.442	4.833	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H]1CCCCC12CCC2	2316503094	OBNZMYHJSRHDNA-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC=C(C)CC)c1cccc(F)c1	2316536566	MORRRUYDRAALDL-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1C[C@H]2CC[C@H](C1)C2	2316884460	LLUVORUIRFNREJ-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(Cn2c(C)cc3cc(F)ccc32)C1	2317567035	YZUDMCWWYPBRIG-UHFFFAOYSA-N	245.341	4.525	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Oc1cccc2c1CCCC2	2317832272	UHLCTMMBRQCLMC-ZIAGYGMSSA-N	246.394	4.625	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1CCC[C@@H]2C[C@@H]21	2318595832	SSKANUWYZAFUAI-OAGGEKHMSA-N	246.394	4.662	0	10	BJAE	
CC1CC(CCC(=O)CC[C@@H]2CC[C@@H]2C2CC2)C1	2319694075	VGFUHGIIBVTDDS-KWVKFQHESA-N	248.410	4.598	0	10	BJAE	
CCNC[C@@]1(CC2CCCC2)CCC(C)=C(C)C1	2320263903	RCFQUJLZIMFBPM-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H]1CCC(C)=C(C)C1	2320422686	IMFZMSBZAVBVJU-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@@]3(C)C=CCCC3)(C1)C2	2321649454	PBLOAWIHVOVCMH-GTPINHCMSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@](N)(CC)c1cc(C)ccc1C(C)C	2327683232	XLOXOQMUHRHVHT-QGZVFWFLSA-N	247.426	4.873	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@]2(C)C=CCC2)c1	2327783028	XUVRTNBAKQJFBL-IAGOWNOFSA-N	244.378	4.508	0	10	BJAE	
C(=C1\Cc2cccc3cccc1c23)\c1ccccc1	3184459	ZBCKEAJECHXQIL-SFQUDFHCSA-N	242.321	4.937	0	10	BJAE	
CCOc1ccccc1N[C@@H](CC)C[C@@H](C)CC	21513296	CHLUXHCBCMOMIE-KBPBESRZSA-N	249.398	4.712	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@@H]1CCC[C@@H](C)[C@@H]1C	21795795	KSUCEWVVXRBTJW-RBGFHDKUSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](Nc1ccc(C)c(C)c1)c1cccs1	22149936	NDSIBJXFSGNTHW-AWEZNQCLSA-N	245.391	4.928	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C2CCCCC2)cc1	36164942	VCPHRUSNJUMINB-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1ccc(C(C)C)cc1	36819844	BMDAJPDOJNYXGO-OAHLLOKOSA-N	233.399	4.507	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)c1ccoc1C	50328677	PALPLFNQHPHCTE-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCCc2ccccc21	63157206	JBHAVFPMEOENKI-BBRMVZONSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1ccc(C)c(C)c1	68863534	XUQGZAYVBDSLJZ-RDJZCZTQSA-N	248.410	4.943	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCC(C)(C)C)CC1	83435303	LAZVRTKSTYOESZ-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](C)c2cc(C)ccc2C)C1	83829006	BBIDOZQACDGVIK-XHSDSOJGSA-N	245.410	4.533	0	10	BJAE	
c1ccc2c(c1)C[C@H](c1cccc3ccccc13)N2	86649723	BKOQDRQKBVTAPS-GOSISDBHSA-N	245.325	4.549	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cccc(C)c2)CC1	86893313	GMVWOYOWBYLJBL-CABCVRRESA-N	231.383	4.766	0	10	BJAE	
CCCC[C@@]1(O)CCCC[C@@H]1C1CCCCC1	87164007	JOWQHNHEEQJFHR-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CC1(C)C(Nc2ccc3ccccc3c2)C1(C)C	92817676	VXTIITKYQMHXLT-UHFFFAOYSA-N	239.362	4.686	0	10	BJAE	
CCCCCNc1ccc(CSCC)cc1	107791758	HGXXDVRPMVXFHU-UHFFFAOYSA-N	237.412	4.542	0	10	BJAE	
C[C@H](Nc1ccc2sccc2c1)C1CCCC1	109811007	INHTXBZKGIMQRQ-NSHDSACASA-N	245.391	4.892	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC(CC)CC)NC	133384035	KOBMQDWOOYEPHO-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
c1cc(C2CCC2)ccc1-c1ccc2c(c1)CCN2	133384055	DKQSENNQGLCCLC-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CCCC[C@H](CC)CNCCCCC(C)C	147486122	KTEAHEAFVVHUED-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CC[C@H](C)[C@H]1CCCCC[C@@H]1CNC(C)(C)C	155859991	UWVIUTPGXYMMBH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)c1ccccc1C	161332292	CUVISUWLZFLKNP-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)c1ccccc1CC	162192403	PAHUACSVWSKMNL-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](C)C[C@@H](C[C@@H](C)CC(C)(C)C)NC	162228753	FPNWVWQMOPPTQJ-ZNMIVQPWSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)c1ccc(C)c(C)c1	163411055	UNFKAUJNLFSSQG-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
O=C(c1ccsc1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	165979378	BAYAZTWELVMMPS-JHJVBQTASA-N	248.391	4.537	0	10	BJAE	
CC1(C)CCC[C@](O)(C2CCCCCC2)CC1	167643872	POKMAGWHCGNKLP-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(=O)c1cccc([C@@H]2CCCC(C)(C)C2)c1	216514284	JFTZOMJMVOGGMQ-OAHLLOKOSA-N	230.351	4.573	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CCCC2(C)C)CC1	226788462	HDLITJDLTWZZMW-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
C/C(=C/Cl)COc1ccc(C(C)(C)C)cc1	232012192	KZYBNPPMRHCIED-LUAWRHEFSA-N	238.758	4.506	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2ccccc2Cl)C1	235408447	YUHQLYHRUGNVFQ-WCQYABFASA-N	249.785	4.744	0	10	BJAE	
Cc1cc(Cl)ccc1[C@@H](N)C1=CCCCCC1	235838026	UXHITEDKCROHNV-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CCCCCC[C@]1(CNC2CC2)C[C@H]2CC[C@H]1C2	250844862	ZSHZVCURNDCIQT-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@@H]1CC[C@H](C)[C@@H](C)C1	252906813	VJYLCWSUFVHEPR-UGQVUOCMSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](N[C@H]1CC[C@H](C)CC1)c1ccccc1	253145070	ZKIZHYLDXFFNTR-DJIMGWMZSA-N	245.410	4.696	0	10	BJAE	
CC(C)c1cnc(Cl)c2cc(Cl)ccc12	258221288	OTEOIEZNLMBZRR-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@H]1CCCC1(C)C	300286839	WDGVRARCTSTIHP-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@H](C)c1ccccc1	300471691	JRMOVVOTNWXOHC-BFYDXBDKSA-N	247.426	4.595	0	10	BJAE	
CC(C)c1nc2c(s1)C[C@@H](C)c1ccccc1-2	302560130	XZNVMTGVMZMDMB-SNVBAGLBSA-N	243.375	4.593	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C1CCC(C(C)C)CC1	304411720	IQJMMMSXHFTZQE-WLYUNCDWSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1CCCCC1)NCC	306060299	WSGSSZFLZVQHNM-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C1(CCC)CC1	310223650	XOKDOBKVGJOKAM-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CCC[C@H](C)C1	310471697	BNIVXHYAXDYLNJ-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@@H](C)CC1(C)CCCC1	310531930	OGKYVLLXKNPXKM-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1/C=C/CCNC(C)(C)C	310823651	IPMRXFZAYSQPGH-DHZHZOJOSA-N	245.410	4.601	0	10	BJAE	
CCCCC[C@]1(CNC(C)C)CCC[C@H](C)C1	317670831	VVWBLZGMPKPQPE-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)C)CCCC[C@@H]1C	318356938	XKHATGPSBDONOY-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCc1cccc(C)c1N[C@H](CC)C1CCC1	322301372	UTRXLTSVVGTLLI-OAHLLOKOSA-N	231.383	4.548	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(CC2(C)CCCC2)C1	383714489	XLFNSRATCADCGH-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H]1CCCC[C@@H]1C	384499962	CAXOWIDKUOOTSD-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1	385212649	ZHZVDVJXAYSZRL-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@@H]1CCC[C@@H](C)C1	385784693	XZPITBVTPJLBPC-CPUCHLNUSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1cccc2ccsc12	386287700	GZOXWZGBWUJHCG-BXUZGUMPSA-N	247.407	4.727	0	10	BJAE	
Cc1cc(C)cc([C@H](O)[C@H](C)C2CCCCC2)c1	386846681	SEUGLTDEJBMABF-RHSMWYFYSA-N	246.394	4.553	0	10	BJAE	
CCC1CCC([C@@H](O)C[C@@H](C)CC(C)C)CC1	393894438	ALUVTVSIPNSKLO-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@@H]2CC)cc1C	393939068	VRHMXVZOYGKLQI-GOEBONIOSA-N	231.383	4.548	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC23CCC3)c(Cl)c1	394724114	DDROXOYRWMDROR-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
C[C@H](C[C@@H](O)C(C)(C)C(C)(C)C)c1ccccc1	395271567	YARYPQNGALKQCB-UKRRQHHQSA-N	248.410	4.613	0	10	BJAE	
CCc1cc(C(F)F)cc2cc(F)sc12	396191418	CHFFIAVHILFCAC-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cc(C(F)F)cc2cc(S)sc12	396253947	VTKHAUVGWIQXMI-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1ccc(F)c2c(C(F)(F)F)csc12	396297875	MIXDARSBDTVXCP-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)[C@H]1CC1(C)C	397868702	WYXKRLQWVIVGIB-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Clc1ccc(Cl)c(NCCC2CCC2)c1	398787628	JEBUKLBXKMGNAQ-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CCN[C@H](CCCC1CC1)C1CCCCCC1	405756530	UKQYLDABJSLBFC-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
O[C@H](CCCC1CC1)c1cccc2ccsc12	406043934	WBSISUCVUBNFKY-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CCC(C)(C)C1CC1	406067618	PLYSMJYPGCHFIE-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCNCC/C=C/c1ccccc1	686305978	VHCUJYAWFKBYJG-XYOKQWHBSA-N	245.410	4.506	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1NCCC(C)(C)C	691170523	VCOFWFRHBJIZJA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@@H]1CC2CCC1CC2	691791082	UQTMVEQFGHFYLK-GQGLESIBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1N[C@H]1CCC12CCCCC2	693808544	WKBVDGZSUFOBBM-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@@H](C)C(C)C	696548454	BNGVGUPRFJNCQM-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CCC(C)(C)CC	696562632	XDYMCXBZKRUEDF-LSDHHAIUSA-N	241.463	4.993	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CCC(C)(C)CC	696643354	DJFFNQYJUGQNMO-ZIAGYGMSSA-N	227.436	4.747	0	10	BJAE	
CCN[C@H](C(C)(CC)CC)C1(CC)CCCC1	701262671	ZIUHTKUTVLLQDI-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@]1(C)CC[C@H](C)C1(C)C	701389924	QLKZVPRUVGTZPY-BLLLJJGKSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)c1cccc(C(C)C)c1	701548582	IZGHJALAGXLBEL-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@H](CC)CC(N)(C(C)C)C(C)C	704907721	FMYRYQQPOJNBBL-AWEZNQCLSA-N	227.436	4.602	0	10	BJAE	
CCC[C@](N)([C@@H]1CCCC[C@@H]1CC)C(C)(C)C	704910329	CPWLUTLQNXORFY-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@H]3CCC[C@H]32)ccc1C	707727462	XLQWDWRPHRXNRH-DJIMGWMZSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(C[C@H](C)CC(C)(C)C)CC1	709264685	ZUEWQQXWRURTQP-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1CCC2(CC1)CC2	709990742	RPMPCSRJNUTRQA-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](CC(=O)CCCC1CCC1)C(C)(C)C	711125846	ZDUCSWWOBFPAJK-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
C[C@@H](C[C@H]1Nc2ccccc2C[C@H]1C)C(C)(C)C	711155318	DMOLMYXENANUGJ-DVOMOZLQSA-N	245.410	4.732	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(O)C1CCCCCC1	713033091	UCXHWOXSBJGSEK-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(O)CCC12CCCCC2	713264661	FIVJMIIBDYNWJR-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1NC1CCC=CCC1	718030808	WFRJKCOMJCLNSU-DLBZAZTESA-N	249.442	4.680	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H]1CCCCCC1(C)C	719279020	ZTTCXWUCNIFSTJ-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1ccc2sccc2c1	723136965	ZKYVXTRWPDKTMC-MFKMUULPSA-N	244.359	4.520	0	10	BJAE	
CC1(C)CCCC[C@@H]1Nc1ccc(C2CC2)cc1	821905249	COXRGLGIDBLHOY-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
C=C/C=C/CCS[C@H](C)c1cccs1	1458956006	DBSJOUCUISLQMQ-SGUJLRQBSA-N	224.394	4.675	0	10	BJAE	
C=C/C=C/CCSCc1cc(C)cc(C)c1	1613604551	RNQGLCKEMIOSMZ-AATRIKPKSA-N	232.392	4.669	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@@H]1CCC12CCC2	1875438184	VJTDHFCLTRXCDY-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NC[C@@H]1CCC12CCC2)C1CCCC1	1875450274	AGKDVSUGMXABCB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(=CC[C@H]1CCCC1=O)CCCC(C)C	1900867374	VVSBHDVQUUCDOT-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CC1CCCCCC1	1901063060	IDSISYAUIBOJLE-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(NCC[C@@H]2CCC(C)(C)C2)cs1	1903402393	HWKXWAHWUXDRMA-LBPRGKRZSA-N	237.412	4.685	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C(C)(C)C(C)(C)C	1905434523	ZJVDHBXQGPCXIU-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
CC=CCCN[C@H]1CCC[C@@H](C(C)(C)C)CC1	1911978244	OPQARDZATPOVDG-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@@]1(CNC(C)C)CCC[C@@H](C)C1	1911984979	JDLPFXXQRXCNTH-IAGOWNOFSA-N	249.442	4.703	0	10	BJAE	
C=CC=CCC[C@@]1(CNC(C)C)CC[C@@H](CC)C1	1912128040	GCUKYSFEVUVESB-IAGOWNOFSA-N	249.442	4.703	0	10	BJAE	
CC(C)CCCC1(CN)CC2(CCCCC2)C1	1912550611	HGVVSVXOQQSKPQ-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H]1CCCCCCCCC1=O	1913380618	MLUHDLFBXKYLFJ-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CCC(CC)C[C@H]1CCCCCCCC[C@H]1O	1913404979	QRXJRDAOSNPODD-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CCN[C@@H](C)c1ccccc1C1C(C)(C)C1(C)C	1917174115	KNRBXRNCZUGMLH-LBPRGKRZSA-N	245.410	4.507	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1CCC[C@@H](C)C1	1920194626	UFOQJBJYETZFPV-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H](C)c1ccccc1	1920205235	WACPOZYSQKGIPE-RDJZCZTQSA-N	247.426	4.868	0	10	BJAE	
NC[C@H]1CCC2(CCC2)[C@H]1CCCCCC1CC1	1924819054	SRQQXQZQBXPRKG-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
Cc1cc(C[C@H]2C=CCCCC2)c(F)cc1F	1925854211	LDMHWSLMXJRCIU-LBPRGKRZSA-N	236.305	4.562	0	10	BJAE	
FC1(F)CCCC[C@H]1CC[C@H]1C=CCC1	1932592016	FIRALJVMJWDWAL-RYUDHWBXSA-N	214.299	4.558	0	10	BJAE	
Cc1cscc1N[C@H]1[C@@H](C)[C@@H](C)CC[C@H]1C	1935907271	BYRQWLCLSMUYGY-HEQLZXTPSA-N	237.412	4.539	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H](CC)C(C)C	1941264828	OUGUQHSBCUCPFZ-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCNC[C@@H](CCCCCC(C)C)C1CCC1	1942091543	TXVJIFBTQPNFAM-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC1CCC(CC)CC1	1947453456	PIXYTZVNHKKVPW-KNIAUWFNSA-N	237.431	4.514	0	10	BJAE	
CC(=O)c1ccc(S[C@@H]2CCC(C)(C)C2)cc1	1949495743	JOHPBVRYPMAUHR-CQSZACIVSA-N	248.391	4.560	0	10	BJAE	
CC1(C)CC(CO)(CCCCCCC2CC2)C1	1950372400	OBNVKYMGTFYCSN-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2nc(C)cs2)CC1	1958424993	PADFYACQIGYEDS-VXGBXAGGSA-N	223.385	4.525	0	10	BJAE	
Cc1ccc(CNC2(C)CCCCCC2)cc1C	1963047334	MYMFLESKQGROHC-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2CC[C@H]3CC[C@H]2C3)CC1	1967766712	OUHBHCKSMRNOCA-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CCN[C@@H]2CC[C@H]3C[C@H]3CC2)CC1	1967833633	DKDJPDKCQCPWMP-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(N[C@@H](C)CCCC(C)C)cc1	1968314662	ZOFOYMZAUJRION-AWEZNQCLSA-N	233.399	4.876	0	10	BJAE	
CCC(CC)N(CC(C)C)C[C@@H]1CC[C@@H](C)C1	1971358610	FDRINADMYVXKBV-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCc1ccc(NC2CC(C(C)(C)C)C2)cc1C	1972022464	PNMWRZASZIPPGO-UHFFFAOYSA-N	245.410	4.794	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](C)C1(C)CCCCC1	1995991005	MCEZRYZPVPSNOC-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C1CCC(C)(C)CC1	1996595594	XFNAZIWAKMCOET-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@H](C)C1(O)CC(C)(C)C(C)(C)C1	1997805679	XGGXQTQSPSIUNK-ZDUSSCGKSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CCC)C[C@@H]1CCCC(C)(C)C1	2000176959	UTXOWMUBGJYYKT-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CN1CCCC12CCCCCC2	2000896964	ROVMWYZWZDNUSF-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2002151865	MULZWBHGMKZLCY-NHAGDIPZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@H]1CCCC(C)(C)C1	2002978389	HTCLTKFYWDSWPK-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)[C@H]1CCC[C@@H](C)C1	2003014645	MAVKRPUNBVQKFF-QXSJWSMHSA-N	239.447	4.760	0	10	BJAE	
N[C@H]1CCCCCCC[C@@H]1CCC1CCCC1	2003118900	UBOSDCLPIOZUPA-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CCC1(CC)CCC(O)(CCCC2CC2)CC1	2004353545	QKZXPCVMLBOQIN-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@@H](C)NC1CCC(C)(F)CC1	2005943719	HKZGUGPFDZKYDH-WLYUNCDWSA-N	243.410	4.606	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2CC=CCC2)CC1	2007681083	FQDIKWKRAGWACE-NPCAHTBFSA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](CCC(C)C)C1(C)CCC(C)CC1	2007695945	KUYSNUSYIIHBAH-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(-c2csc([C@H](C)N)c2)cc1	2008406077	VNVYVXNCLUGMAN-NSHDSACASA-N	245.391	4.558	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CCC2CCCC2)CC1	2009403939	ITYGAKOIAKDLSY-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1CCC(C)(C)CC[C@H]1O	2009407590	OAXYYIYHVGWKBF-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)CC[C@H]1N)C(C)(C)C	2009412307	WYVZZORYUJSURS-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CCCC(CCC)CNC(CC)(CC)C(F)F	2009702077	PUASNBIMFCZJRT-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H](C)CC(C)(C)C	2010985379	OBKPAAFYPKZTED-GJZGRUSLSA-N	237.431	4.548	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCC[C@H]1C[C@H]1C	2011577673	QMJKCUQEAOCKBG-QLFBSQMISA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011976468	ONDMORQMVMFJCY-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1CCCCC12CC2	2013266632	IOWZYFKSTMYQLP-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC=C([C@](N)(CC)CCC(C)C)CC1	2013295452	GCSNXCJVKSIYJK-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](CC)c1ccco1	2013322170	LFFHUVMBPCGIOI-UONOGXRCSA-N	237.387	4.535	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)C1(C)CCCC1	2014340900	UGZMVDWSJGILDE-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCC1(C[C@H](C[C@@H](C)CC)NCC)CCC1	2015646408	ZQADTUOGEXPFDL-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CC[C@H]1C[C@@H]1C	2017244311	IPXKDKALDPBWHU-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(CC(CC)(CC)CO)CC1	2017711944	JOFITYOOSIXQBW-UHFFFAOYSA-N	240.431	4.782	0	10	BJAE	
CCC[C@@H](C)CCNC[C@H]1CC[C@H](CC)CC1	2017728168	IKSQCRSGRFETBX-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCC1(CC2(O)CC(C)(C)C(C)(C)C2)CC1	2018964936	MMLZWNQEOYOWBP-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@H]1CCCC[C@@H]1CC	2019199779	MDMOMBIJICJSNN-JYJNAYRXSA-N	239.447	4.856	0	10	BJAE	
CCSc1ccccc1N[C@H]1C=CCCCC1	2019510002	QDLLOKVVRBBRMR-ZDUSSCGKSA-N	247.407	4.709	0	10	BJAE	
CC1(C[C@H]2CCCC(C)(C)[C@H]2O)CCCCC1	2020401484	XHLNXPPPRSKASB-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCCN(C1CCCCC1)[C@H](C)[C@H](C)CC	2020537229	KISWIKDZNAMMPS-HUUCEWRRSA-N	239.447	4.856	0	10	BJAE	
CCN[C@@H]1CC(C)(C)C[C@H]1CCCC(C)(C)C	2023609220	FDXDAMAWIZZYSR-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C2(C)CC=CC2)C1	2024102362	RNLHYVWWHWNQHI-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
Cc1cc(C)c2c(c1)N[C@](C)(CCC(C)(C)C)O2	2027858831	ADLBMPWEDQFLIR-INIZCTEOSA-N	247.382	4.650	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NC)c1cccc(CC)c1	2028252804	QZRRKGQXEQNACR-SJORKVTESA-N	247.426	4.582	0	10	BJAE	
CCC1CC(N[C@H](C)c2ccc(C(C)C)cc2)C1	2034905325	UNUDCILUZQKXGJ-TUBUQKNSSA-N	245.410	4.649	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)C1CCC(C)CC1	2035602669	SPQZAPVTAMJDEQ-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C=C(C)C)c1cccc(C2CC2)c1	2036354613	MKUZDYBZZZXAOF-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
O=C(CC1=CCCCC1)[C@H]1CCC2(CCCC2)C1	2037671058	ATFCCIADKZXDDX-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CCCCCC1CC1	2039443311	ZJHAQZLTAUKINO-XIRDDKMYSA-N	249.442	4.667	0	10	BJAE	
CCC1(C[C@]2(CNC(C)C)CC=CCC2)CCC1	2042089422	PARMTFJFLCCNRL-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CCCC1)C[C@H]1CCC=CCCC1	2045316256	CEGRUCCGFGCKKH-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@H]1CCC=CCCC1)CC1(C)CC1	2045324713	YGKLOBYBRLHAJP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(NC[C@H]2CCC=CCCC2)cc1F	2045330543	XAPOFSFFTOJVPT-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
CCCCN(C[C@@H]1CCC[C@H]1C)c1ccccc1	2046579535	RJAOQJVPKCWZAA-CVEARBPZSA-N	245.410	4.729	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@H]2CC23CCCC3)C1	2047024200	SFNFTVZNBSNBPG-QEJZJMRPSA-N	246.394	4.518	0	10	BJAE	
CC1(CNc2ccccc2C(C)(C)C)CC=CC1	2047725790	HAFXGHDXZVJHKC-UHFFFAOYSA-N	243.394	4.752	0	10	BJAE	
CCC(=C[C@@H]1[C@H]2CCCCC[C@H]21)CNC(C)(C)C	2048528496	XEKVAKVNCGWCRZ-ZSHCYNCHSA-N	249.442	4.537	0	10	BJAE	
C[C@]1(CNC2CCCCCCCC2)CC=CCC1	2049671508	DWRWKKRPDFRMKY-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc([C@H](C)NC2CCCCCCCC2)o1	2049671548	FEVDRUSGXRTEOR-AWEZNQCLSA-N	249.398	4.742	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@H]2CC[C@H](C)CC2)c1	2049680849	IJRJQRNJLHRARO-CKEIUWERSA-N	245.410	4.636	0	10	BJAE	
Cc1ccccc1C(=O)CCCC(C)(C)C1CC1	2050460153	FOKQTMHBXPNJCE-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
N[C@@H](CCCC1CCCCC1)c1ccc(F)cc1	2050491775	IJTRJZLXCPOWCG-INIZCTEOSA-N	249.373	4.576	0	10	BJAE	
O=C(CC1=CCCCCCC1)c1ccccc1F	2050494636	LDHCSCJDYJCCGG-UHFFFAOYSA-N	246.325	4.679	0	10	BJAE	
CCCN(C[C@@H]1CCC=CCCC1)C1CCCC1	2050741801	WANNDFXSAPIAAG-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCCC(CCC)CNc1ccc(C)cc1OC	2052168528	KGSPTQJDLAEFST-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CC1(CCC[C@@H](N)[C@@H]2CCCCC23CCC3)CC1	2053416965	XDDVPAHJPJEWBZ-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
F[C@@H]1CCCC[C@@H]1Nc1cccc2ccccc12	2055158828	IGVGERHDWWEYMJ-ZBFHGGJFSA-N	243.325	4.532	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@]1(N)CCCCC12CCCCC2	2055298605	GCTDXCABHPEBCL-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCC(C)=C1C)C1CCCC1	2055550151	RDOCVMDDRYYCSO-DLBZAZTESA-N	249.442	4.824	0	10	BJAE	
CC(C)CCCCCO[C@H](C)c1ccccc1N	2056102138	HMUABCHPPXPNKV-CQSZACIVSA-N	249.398	4.563	0	10	BJAE	
CCC1CC(C[C@H](N)[C@@]23CCCC[C@@H]2CCC3)C1	2056654186	XATYWKZCLHJJJR-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CC=C(C)[C@@H](NCCC)c1cccc(C2CC2)c1	2056782055	JNZNNKAGPCQIIL-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](C=C1CCCCC1)NC	2056880483	AANALUBONXDZND-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H]([C@H]2CCC3(CCCC3)C2)CC1	2059003643	PRYGBNQJJDEKIK-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@@H](NC)c1ccc(C2CC2)cc1	2059225489	NSGZGMWENGGWCL-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC=CCCC[C@]1(CNC2CC2)CCCC1(C)C	2059247428	QAAZSSCLPPHWNV-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@]1(CNC2CC2)CCCC1(C)C	2059253377	QAAZSSCLPPHWNV-LAQIPUCWSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCC)c1ccccc1CC	2059257110	UYKPJVVNDPKFKQ-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
C=C=CC[C@@H](NCCC)c1ccc(C(C)C)cc1	2059443681	HNQRLKXIBIILEN-QGZVFWFLSA-N	243.394	4.582	0	10	BJAE	
CC1=C[C@](N)(C2=CC[C@H](C(C)(C)C)CC2)CCC1	2061119586	QKXPAEUHQBIRJD-YOEHRIQHSA-N	247.426	4.587	0	10	BJAE	
C=C=CCC[C@@H]1CCCCC[C@H]1CNCC(C)C	2061562354	CGELMMKAPLJCSI-SJORKVTESA-N	249.442	4.550	0	10	BJAE	
CCc1cc(NCC[C@@]23CCC[C@H]2C3)ccc1C	2061572123	OXGHEDRQTZNHNW-DOTOQJQBSA-N	243.394	4.550	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC[C@@]23CCC[C@@H]2C3)CC1	2061604740	BHUDSAIGBAQXAJ-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
C[C@H](CCC1CC(=C2CCC2)C1)CNC(C)(C)C	2061728965	QNDFFBOVZJFPKQ-CYBMUJFWSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2063496441	JRQCHXDKFPTVLP-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC[C@H]1CCC=CCCC1)[C@H]1CCC1(C)C	2068336011	AKHZYJBNXLQSPC-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068782374	SZKQUOJKKQYNNI-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(CC(=O)C[C@H]2CCC23CCC3)CCC1	2071919906	PMZJEEWRIKXRNA-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1(C[C@](C)(N)C2CC3(CC3)C2)CCC1	2071942001	ZOBRRVJABNFVJJ-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2072428815	JIVVTCFPPKEEEB-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H]2CCC3(CC3)C2)CC1	2072796987	UYOVALMXGHZLBY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)c2ccccc2C)CC1	2072800504	FCHDEXCEWRADNI-ZOBUZTSGSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@]12CCCC[C@@H]1C2	2074029717	PBQTUDRIJMCBSB-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N(C)C[C@@]2(C)C=CCCC2)CC1	2074857204	PNRZXNGUCVJOAD-JCYILVPMSA-N	249.442	4.633	0	10	BJAE	
CCCc1ccc(-c2ccc(O)c(CC)c2)cc1	2076825960	JPVFPROGDWYSGR-UHFFFAOYSA-N	240.346	4.574	0	10	BJAE	
Cc1c(F)cccc1C(=O)[C@@H]1CCC[C@H](C)CC1	2077846183	VZPOCFJZLSLJLX-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1ccc(C2CCC2)cc1	2079643220	WOLLZCQMHRGXPL-JKSUJKDBSA-N	243.394	4.802	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CN1CCCCC12CCCCC2	2079891855	WLVFLJPPRMPYNJ-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
FC(CNc1cccc(C2CCC2)c1)=C1CCC1	2081671040	UQXDFZNBAMVUMI-UHFFFAOYSA-N	245.341	4.774	0	10	BJAE	
CNC[C@]1(C[C@H]2CCCC(C)(C)C2)CC=CCC1	2082981391	CSWFWEVUQVLRTB-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC(CC(=O)c2ccoc2)CC(C)(C)C1	2082986273	LNTZKIUOIIGXLG-UHFFFAOYSA-N	248.366	4.705	0	10	BJAE	
CC[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1(C)CCCCC1	2084512113	VFUGIXIHWLOKRG-MUJYYYPQSA-N	249.442	4.610	0	10	BJAE	
CCCC(C)(C)C(=O)CC1(C)CC(C)(C)C1	2211654778	URRHUJRAPAMNEX-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](c1ccsc1)C(C)(C)CCC	2212118613	WXZLTRCEXNBDCO-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCc1cc(Cl)ccc1NCCCC1CC1	2212631418	OWYHZAORRABEFC-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CNC[C@@H](CCCCCCC1CC1)C(C)(C)C	2213573916	MTSBMPUZPJLFEQ-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](CC(C)C)C(F)F	2213852120	DAPWWTJCQIWZKT-CHWSQXEVSA-N	249.389	4.615	0	10	BJAE	
CC[C@H]1C[C@H]1CCn1ccc2ccc(Cl)cc21	2215346010	NPUSUSICDDJIPL-WCQYABFASA-N	247.769	4.731	0	10	BJAE	
CC[C@@H]1C[C@H]1CCN(C)CC(CC)(CC)CC	2215369171	NAALQBXQMULWNR-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)C[C@H](C)CC(C)C)CC1	2215801547	JKWPIWGVHOFNFF-PMPSAXMXSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1c(C)cccc1C	2215999578	SAIAIUQHHDUKDE-CQSZACIVSA-N	232.367	4.558	0	10	BJAE	
C[C@@H]1CC[C@@H]1[C@H](N)CCCCCCCC1CC1	2216878189	TVENSRYWNFAIFD-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@@](O)(CCCCCCCC1CC1)C1CCC1	2216896029	OQHGEWQHWFEJPM-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@]1(CNC2CCC2)CCCC[C@H]1C	2217127488	WSBSHNLCVXOULM-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCCCC1CC1)CC12CCC(CC1)C2	2220040610	NMAMBUUTRIETSG-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](n2ccc3cccc(F)c32)C1	2220310259	DLDPHTKNURNUSW-JSGCOSHPSA-N	245.341	4.922	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2C[C@H](C)CN[C@H]2C)CC1	2220374087	CHXZZALLABCTGT-VGWMRTNUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)c1cc2ccccc2s1	2246910086	VTDLELKJJFOJJS-HNNXBMFYSA-N	244.359	4.520	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CCC1(C)C)NCCC	2247414520	LUFOFEAGWHEFOJ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC2=CCCCC2)CC1	2247468205	KWXLLSOUMYKTTH-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](O)CCC1(C)CC1	2248842912	SCFZBLKPVBQCJA-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCC1(NCC[C@@H](C)CCCC(C)C)CC1	2250518307	HTOYTKVKPSGYJV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@]12CCCC[C@H]1CC2	2251210139	DIYVWZWGXIMVIB-OFQRWUPVSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2(N)CC3(C2)CC3(C)C)C1	2253953138	YYFFSACBFDZKCX-VBJONLRCSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1CC2(CCCC2)C1	2254078470	WBJXLQLGXLMOPF-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)CC1CC2(CCCC2)C1	2254110058	DBXZNZHCGWQVFF-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]2CCC[C@H]2N1CCCCCCC1CC1	2254252574	SZQZRGVGOATVKP-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
CC1=CC[C@](C)(CNCCCC[C@H]2C[C@H]2C)CC1	2254506280	RFSBFIVGQJTCJL-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C1(C)CCCCCC1	2255140774	NQZTTWDYGAVIRW-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC[C@@H]2CCCC23CC3)C1	2255231462	BHCHSPWNHZTLMD-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)C1([C@H](N)CC[C@@H]2CCCC23CC3)CCC1	2255280920	DGKVBOHBUMFHPG-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC[C@H]1CCCC12CC2	2255317134	FZDYBDIVJGZMLB-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1C[C@@H]2CC[C@@H]2C1	2257249607	WTIFNYFQLFMIMV-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN[C@H]1CCC12CCCC2	2257318664	FIPRGGYIJHMTFL-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CC[C@H]3CC[C@@H]32)c1	2257877642	GPVCKJOWDCRNKI-UHOFOFEASA-N	243.394	4.585	0	10	BJAE	
CC1(c2ccc(NC3CCC=CCC3)cc2)CC1	2257920397	ADASQYXBAXNNEF-UHFFFAOYSA-N	241.378	4.649	0	10	BJAE	
Cc1cc(NCCC(C)(C)C2CC2)cc(C)c1C	2258235055	AKOATHDNKGAAAF-UHFFFAOYSA-N	245.410	4.850	0	10	BJAE	
CC(C)(C)CC1CC(C[C@H](N)c2ccccc2)C1	2261194880	SCTFFUDEVZJEFE-XUJLQICISA-N	245.410	4.539	0	10	BJAE	
CN(CC=C1CCC1)[C@@H]1CC(C)(C)CCC1(C)C	2261448790	HTXBFWSUIWYJAY-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CC1CC(CCC(=O)C[C@H]2CCC=CCCC2)C1	2261508738	GNHHYCWRZMJGKE-PCKAHOCUSA-N	248.410	4.908	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC[C@@H]1C[C@@H]1CC	2298125053	ICKFEQWPIAKLAM-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H](C)CC1CCC1	2298896159	NIIOWTPISAYVDX-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H]2CCCC[C@@H]2C1=O	2300702083	VUJTZSOCWUXCAV-KFWWJZLASA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)CC)CC[C@H](C)C1	2300860577	IXFFPIHPFVDYSR-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC(C)=CCNc1cc(CC)ccc1CC	2300867235	JIFBWDOBOQLHJL-UHFFFAOYSA-N	231.383	4.580	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@@H](O)CC=C(C)CCCC(C)C	2300892886	KAIIYZLITPQMGJ-PMPSAXMXSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@@H](C)[C@H](C)C(C)C)CC1	2301863833	HYGPGEQHDKTGOY-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H](C)[C@](C)(N)CCCCCCC1CC1	2301945726	OJSYGZUTFHYVPV-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
COc1cccc(CCCC2=CCCCC2)c1	2302346793	KSLRICZKJYDLOE-UHFFFAOYSA-N	230.351	4.518	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1CCC(C)=C(C)C1	2303593328	VXBHMINMALGACW-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CC(C)=CCCc1cc(Cl)c2ccccc2n1	2304030256	KSBISHYGXKOWPS-UHFFFAOYSA-N	245.753	4.787	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1CCC(C)(C)CC1	2307842277	IJULLAOCBHHXRD-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2311717435	BVPUPCDXYDQZFS-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)C[C@H]1CC[C@@H]2C[C@H]12	2312333642	UBGFHGUCJGIUBH-BFYDXBDKSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](C[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312938948	DRZKUDQRCGSBCC-QRJUGERDSA-N	248.410	4.598	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@@H]1CCCCC12CCC2	2316503096	OBNZMYHJSRHDNA-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1[C@H](CC=C(C)CC)NC	2316537940	UIWDPZCGCOQWJQ-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316782899	MYARQTIGYQWDKH-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CCC12CCC2	2317929666	NLCOYOYEMWOZGL-HNNXBMFYSA-N	247.357	4.694	0	10	BJAE	
C[C@@H]1CCc2cc([C@@H]3CC(C)(C)[C@@H]3C)ccc2N1	2318247066	FVGSJKBBQFLMMG-LALPHHSUSA-N	243.394	4.583	0	10	BJAE	
CC[C@@H](C)c1cccc2c(C(C)(C)OC)coc12	2318309759	VTDUTRREKWCQHA-LLVKDONJSA-N	246.350	4.828	0	10	BJAE	
CC1(C)CCC[C@H]1CNCCCC1=CCCCC1	2318539269	GDTWUNXSLFMMEA-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CN[C@H]1CC(C)(C)C[C@H]1CCCC1=CCCCC1	2318573543	TUYYRJLPOSCBQP-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCC1=CCCCC1	2318594298	DVNJJZXJZFABEL-ACHSLPGTSA-N	247.426	4.530	0	10	BJAE	
N[C@@H]1CCCC[C@H]1CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2318801654	WCSNUUNMGXXFCL-JZAWBGDQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(N)CCCCCC23CC3)C1	2319033865	GHSDWKWGKLBNBK-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCNC[C@]1(C[C@H]2CCC(C)(C)C2)CC=CCC1	2319064532	ILJVKRSHJIZFPD-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
O=C(CC1CCC=CCC1)C[C@H]1CC[C@@H]1C1CC1	2319591363	ILIFUKYXUDEXML-NVXWUHKLSA-N	246.394	4.518	0	10	BJAE	
CN[C@H]1C[C@H](C[C@@H]2CCC(C)=C(C)C2)C[C@@H](C)C1	2320387488	HLPRFGLMQKFZJW-VDNDLQMASA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2C[C@@H]2CC(C)C)CC1	2320411507	JXTCZBOASOEOBP-PMPSAXMXSA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1	2320413288	MXRJBVQWXGLPGZ-RBSFLKMASA-N	248.410	4.764	0	10	BJAE	
C[C@H](N[C@@H](CC1CC1)C1CC1)C1CCCCCC1	2320616544	KUHIXWXFXQBGLZ-GUYCJALGSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H](CC2CC2)C2CC2)C1	2320697913	YTOQWFOBOJSIIG-UHOFOFEASA-N	248.410	4.598	0	10	BJAE	
CNC[C@]1(CC[C@@H]2CCC(C)(C)C2)CC=CCC1	2321619152	JMBRXNXWEYFCAV-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
FC(F)CC12CC(CC=Cc3ccccc3)(C1)C2	2321621042	BRKBRLOAUZDYSF-UHFFFAOYSA-N	248.316	4.915	0	10	BJAE	
CCC[C@H](CC)CC[C@H](CNC)c1ccccc1	2328189320	IISNFMNXXHNMMS-DOTOQJQBSA-N	247.426	4.596	0	10	BJAE	
Cc1ccccc1/C=C\c1c[nH]c2ccccc12	12368371	MDMOXTPSCNNJIE-KHPPLWFESA-N	233.314	4.647	0	10	BJAE	
Cc1cc([C@H](C)Nc2ccccc2F)c(C)s1	21790542	HYFLPBWHNARLPP-JTQLQIEISA-N	249.354	4.677	0	10	BJAE	
Cc1ccc(Sc2ccc(C)cc2C)cc1	34559684	NSMLPPJWQGDWSE-UHFFFAOYSA-N	228.360	4.763	0	10	BJAE	
C1CCCC(N[C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	34995200	PNIXPXAXYPJZSI-UXLLHSPISA-N	249.442	4.658	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1	37185369	MRPKRIOICXSKGQ-ZMSDIMECSA-N	243.394	4.766	0	10	BJAE	
CC(C)(C)c1ccc([C@@H]2CCCCCC2=O)cc1	60711071	QDLSFDWHRFLKPO-HNNXBMFYSA-N	244.378	4.601	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@H](CC)C1	71112233	NJLBIZMBLLEBOM-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CC(C)C[C@H](C)Nc1c(Cl)cccc1Cl	83847658	OKXIITVZAOZWPR-VIFPVBQESA-N	246.181	4.840	0	10	BJAE	
CCC(CC)C(CC)(CC)CNC(C)(C)C	87172905	ZMCXFKXTOMDCII-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CCC1CCCC1)NCCC	124665262	JZINXBIJMULARE-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1ccc(CC)c(CC)c1	127999817	OMRPVYPMBRXHMA-DYVFJYSZSA-N	247.426	4.508	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)c1csc(C)c1	129419624	WARKVNCHUUTYQR-JSGCOSHPSA-N	239.428	4.533	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2nc(C(C)(C)C)cs2)C1	131927624	PBNKXEFHBCUGHS-GHMZBOCLSA-N	237.412	4.734	0	10	BJAE	
CCc1cccc(N[C@H]2CCC(C)(C)C[C@@H]2C)c1	155830026	OQBVOIXZQFPUFQ-BBRMVZONSA-N	245.410	4.876	0	10	BJAE	
CCCC(CCC)C(=O)C1C[C@@H](C)C[C@H](C)C1	166008554	AYJRXQFLYGLIOM-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC(C(=O)CC2CCCCC2)CC1	203528422	SGAHQMBVMYAVJI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](NCC)[C@@H](CC)c1ccc(CC)cc1	212614891	SKCKBUGQVVRSJO-DLBZAZTESA-N	247.426	4.521	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1C	220572731	MMHZBSHCMQPEMS-CORIIIEPSA-N	231.383	4.540	0	10	BJAE	
CC(=O)c1c(C)sc2ccc(C(C)C)cc12	222437128	IQJMEZNMLFIHNV-UHFFFAOYSA-N	232.348	4.536	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1C[C@@H](C)CC(C)(C)C1	224956039	LCMHQBLGJWRHOV-DGCLKSJQSA-N	249.373	4.761	0	10	BJAE	
CCCCCC[C@@]1(O)C(C)(C)[C@H]2CC[C@@]1(C)C2	227982358	IWJFOKYRPVRNEM-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@@H]1CC[C@@H](C)[C@@H](C)C1	229410809	YPRIPIPTNDGEIS-CWVYHPPDSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(-c2ccccc2C2CCC2)ccc1N	229616647	IPFQCWWFKVABJV-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCCCc1c[nH]c2ccc(C(F)(F)F)cc12	233007729	CWUWERVVEPOLJP-UHFFFAOYSA-N	241.256	4.529	0	10	BJAE	
CN[C@H](c1cccc(C)c1C)C1(C)CCCCC1	234516559	UYVSLEFNVLYPPI-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)c1ccc([C@@H](C)O)cc1-c1ccccc1	258210619	CUNHPWZCPPYFDC-CYBMUJFWSA-N	240.346	4.530	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2/C=C/CCCCC2)s1	302337018	DQKCGSWBHHKDKD-AJKRIUKHSA-N	249.423	4.596	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C1CCC(C)(C)CC1	305913929	JLXFHHLNQANLAT-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCc1cc(NC[C@@H](C)CC(C)C)ccc1C	310071774	XSKSVQGTDMQRGI-ZDUSSCGKSA-N	233.399	4.652	0	10	BJAE	
CC(C)C[C@@H](C)[C@@]1(O)CCCCC12CCCC2	310115434	CDJHPRZQNAOOND-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](O)c1ccccc1C(C)C	310120397	UXYCVILWSYPZAI-MRXNPFEDSA-N	234.383	4.814	0	10	BJAE	
CC1(C)CCC(C[C@@]2(C)CCCCCN2)CC1	310391989	IZDWDGUCZIKUFD-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2C=CCCCCC2)cc1	310655663	PNNHHTQMESFHRD-WBVHZDCISA-N	243.394	4.535	0	10	BJAE	
Cc1ccc(OCC2CCC(C)(C)CC2)c(C)c1	310976990	JDJCRVVMFHFTCQ-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)CCC)CCC[C@@H]1C	317544697	XEXVGKIPLBBQKA-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCNCC1(CCC2CC2)CCCCCCC1	317571189	MYCHQBUHWQQWLO-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C[C@H]1CCC[C@@H](C2(CNC3CC3)CCCCC2)C1	317867964	HZXUSRGEJQDWAG-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)c1)C1CCC1	322309642	XVORJZFUKGEJJY-INIZCTEOSA-N	231.383	4.801	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCCC1(C)C)C1CCC1	322492574	YXFAFPIRMCBEPG-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC([C@H](N)C[C@@H](C)CC(C)C)CC1	379645984	YBEYVESBTBEOGP-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C(C2CCC2)C2CCC2)C1	380581216	ATXULHLMIZJSEU-IUODEOHRSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)c1csc(C)c1	381329371	YNCVWFHAIZQXAY-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CC(C)C1CC(N[C@@H]2CCCCC23CCCC3)C1	386548986	STZYSBADWCGSGK-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C[C@@](C)(O)c1ccccc1)C1CCCCC1	386790918	LKIWETPFWBCEPA-WMLDXEAASA-N	246.394	4.501	0	10	BJAE	
CCCCCC[C@H](NC)C(C)(C)C(C)(C)C	390818051	PVQRITIWHLSJSW-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC1(C)CCC[C@@H]1Nc1ccc(C(F)F)cc1	395290054	MNLNJHIWTJVLIE-LBPRGKRZSA-N	239.309	4.615	0	10	BJAE	
CCc1cc(C(F)F)c2cc(CC)sc2c1	396170157	VEEQJAYYDISRNG-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CSc1ccc2cc(C(F)F)sc2c1F	396255352	USWHVGRAEIFHDM-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1cc(C(F)(F)F)c(F)c2sccc12	396305620	WOBKXRDAJLADLM-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC(C)=CCC[C@@H](C)CCNC1CCCCC1	400788879	AVJWWJYQXRLGMG-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H](C)C(C)(C)C	401144618	ZUULGBQSSSHIMI-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
O=C(CC1CCCCC1)C[C@H]1C[C@H]2C=C[C@H]1CC2	402157159	OMNJIMSRRIHYHM-HRCADAONSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC(C)(C)C1CC1	405702096	BGNIZIZQOGIRHF-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc([C@H](O)CC(C)(C)C2CC2)cc1	405884204	PLBQUZMWBZXIOJ-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCC[C@H](C(C)C)C1	688450151	LQCYIGWIQJRVPC-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CCNCc1ccc(C(C)C)cc1	688958556	HPOPNRPULUWKHN-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCSCC2)c1	692484075	GSPMPYQMMQSJQX-AWEZNQCLSA-N	249.423	4.508	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCC[C@H](C(C)C)CC1	701047631	ICMGAYDFNQUGFT-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C1CC(C)(C)C1)C(C)(CC)CC	701225705	JTFWINIVPUZISO-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCc1cccc(C(F)F)c1	701228544	FVBSPHPTDKQCHI-UHFFFAOYSA-N	210.267	4.523	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)c1cccc2ccsc12	702208393	ZLUUTXICNAYPMH-OAHLLOKOSA-N	244.359	4.520	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CC1=CCCCC1	704893065	NMRRXDDHKICBLX-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C1CCC(C)CC1	704960739	ZFNMLOAWOSPXAM-BHDPWAOGSA-N	237.431	4.501	0	10	BJAE	
CCc1cccc(N[C@H](C)[C@]23CCCC[C@@H]2C3)c1	709105257	DHNGLBJZCJISLA-FRFSOERESA-N	243.394	4.630	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(C(C)(C)C)CCCN1	709191804	UICLJAFJYPMKLA-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CCCC(C)(C)C	709238701	VFRODPMBPZZQDR-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@@H](C)C1CCC1)C(C)(C)C	711209034	BGOPTWPIWBPCBY-BPLDGKMQSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)c1cscc1C	713240799	DIOZZUIXHPVWHU-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
C[C@@H](CC(=O)CCC(C)(F)F)C1CCCCC1	713935619	KXIIKVMZMCVOCU-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@H]2CCCC[C@H]21)C1CCCC1	714303363	IZPFGAUTNRBYMD-RKTXRCNFSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCC1(N)CCCCCCC1	718599277	FGOHXCLOQOANJK-UHFFFAOYSA-N	223.404	4.565	0	10	BJAE	
CCCC(CCC)[C@@H](O)CCC(C)=C(C)C	718600384	NBSHUEQAUPISGP-HNNXBMFYSA-N	226.404	4.700	0	10	BJAE	
CC(C)=C(C)CCC[C@@H](C)CNC(C)(C)C	718651905	KWLAWRORNMRSBO-CYBMUJFWSA-N	225.420	4.537	0	10	BJAE	
CCC[C@](O)(CCC(C)=C(C)C)[C@@H]1CC1(C)C	718703967	ZRZLFELBJMIWRC-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
C[C@H](CCC1CC1)N[C@H]1CCCCCC1(C)C	719251077	HVGMCADBDBMXLO-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](NCCCCC1CC1)C1CCCCCC1	720158440	LFEUANVPDCYQDH-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2ccc(C)cc2F)CC1	721214895	WRCOWGGSBFTIBE-JOCQHMNTSA-N	248.341	4.533	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)CC1CC(C)(C)C1	723536659	ZQNXWTWGIUQJLH-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](S[C@H](C)C(C)C)c1ccccc1	1307309581	HLTGSXZEMISYCW-TZMCWYRMSA-N	222.397	4.915	0	10	BJAE	
CC[C@H](NC1CCC2(CCC2)CC1)[C@@H]1CC1(C)C	1308823146	BGQAJCWRVLPYIJ-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NC[C@@H]1CCC=CCCC1)C1CCCCC1	1474746589	YWPKGPZOPNKLNM-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCC[C@@H](C(C)C)C1	1651487314	YNGJHTMNDIGHML-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)C[C@H](C)C(C)(C)C	1900697035	NLDDKZAQEYQFGL-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
CCC(C)=CCc1ccc(C(C)(C)C)cc1	1900822062	AVEJYPVMHPSTGF-UHFFFAOYSA-N	216.368	4.883	0	10	BJAE	
CCC[C@](C)(CC=C(C)CC)CNC(C)C	1900822084	AZEDOLKKLMQHEN-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Oc1cc(F)ccc1Cl	1901618906	QYOOELVSPCFRLP-ZJUUUORDSA-N	244.737	4.539	0	10	BJAE	
CCCC[C@H](CC)c1nc([C@H]2C[C@@H]2C)cs1	1905259234	MFHIHYCBTWQXQS-SRVKXCTJSA-N	237.412	4.950	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc([C@@H]2CCCC2(C)C)n1	1905271334	PKGCXGYOEMKZCA-MXWKQRLJSA-N	235.396	4.560	0	10	BJAE	
CC=CC[C@H](C)c1ccc(Br)s1	1911884390	SEIUHMLHKGIEEC-QMMMGPOBSA-N	245.185	4.580	0	10	BJAE	
C[C@H](NC1CC2(CCCCC2)C1)C1CCCCC1	1912710779	KJUUTAMPDCAFPF-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CCCC=CCNc1cccc(C(C)C)c1	1914676328	BNECFTSQPABGQZ-UHFFFAOYSA-N	217.356	4.578	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1CCCC[C@H]1C	1919958672	JAGKGTWZBZLTBF-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@](C)(O)c1ccc(Cl)s1	1919959334	ABWCPNIMHFHHFX-GFCCVEGCSA-N	246.803	4.579	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@](N)(CC(C)C)c1ccccc1	1920475767	CXVYIPAQGHLMKK-ZOBUZTSGSA-N	247.426	4.569	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)C1CC(CCC)C1	1921273325	ROEJRWVUNVVGLQ-RDHHWEPZSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(C(=O)CCC(C)=C(C)C)C1	1921275918	DUIBFKAAEPVSGU-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC12CCC2)C1CCCC1	1921489694	KVVIBPWVTIOPFE-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](O)C1(C)CCCCCC1	1921552651	DDDOLMOVBKIVDH-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)(CC[C@]1(CN)CCCC12CCC2)C1CC1	1921606336	RNPDMIUTIMBJJD-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
CCC1CCC([C@]2(CN)CCCC23CCC3)CC1	1921655963	BWOQXPWKMQQVKJ-VMBOVVBDSA-N	249.442	4.502	0	10	BJAE	
C1=C[C@H](Cc2cc3ccccc3o2)CCCC1	1925833085	IJWKOPYNCMSOGJ-ZDUSSCGKSA-N	226.319	4.722	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC1(C)CCCCC1	1935623701	UMCYTEWGVRSJTB-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CCC(N)(CC2(C)CCCCC2)CC1	1940406337	LTUKQBAVFRLOTC-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)C1([C@@H](O)CC2(C)CCCCC2)CCC1	1940408476	UJZOWJNDEGDZCN-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)C1(CC)CC1	1940878178	UXTASSRBZLMPCO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCCC(=O)[C@@]12CCCC[C@H]1CCC2	1944237012	UPJLQERJSZJZIK-GOEBONIOSA-N	234.383	4.662	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@H](C)C1CC1	1944533271	FXWCKWYVJQPWKT-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H]1Cn1ccc2cccc(Cl)c21	1944799719	RCYDRIIATDTWAX-WCQYABFASA-N	247.769	4.731	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC2(CCCC2)C1)C(C)C	1946456508	YIZAQMVTNFCIAD-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)[C@H]1CCCC[C@@H]1CC	1947515426	MBUKYGMDQTWJSP-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)CC(C)(C)CC	1947575625	ITKLXOMSHJEGDO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CCCCC12CCC2	1947898857	FFRMGPFLNVYFFQ-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(N)CCCCC12CCC2	1947901789	UCOWASHTNCIYJB-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC1(CN[C@@H](C)[C@H](C)CC(C)C)CCCC1	1948326955	NNXZCARRLTVARM-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC1CCC(C)CC1)NCC	1948434347	YIVJNSYYMLCSDB-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C1(C(C)C)CCC1	1948988035	GPPBSNYDJOHETQ-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(SCCC2=CCCCC2)ccc1O	1949778271	GIZFYZJFIYKGMZ-UHFFFAOYSA-N	248.391	4.683	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@H]1CCCC(C)(C)CC1	1950919465	PDZPILKNOZRLBA-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@]1(CNCCC)CCC[C@H](C)CC1	1950923261	SMZUUUABSOSOLM-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC[C@H]1CCC=CCCC1	1967814508	HVDHMIGYRAQIPK-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c(NCC2CCC3(CC2)CC3)c1	1968230323	PARGZBOTXFGTAH-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2CC[C@@H](C)C2)cc1	1968292323	FYBXBCJJLXTYKN-ZIAGYGMSSA-N	231.383	4.658	0	10	BJAE	
CCc1ccc(OCC[C@H]2CCC[C@@H](C)C2)cc1	1968345829	FWFZURPDKKLGLG-GDBMZVCRSA-N	246.394	4.844	0	10	BJAE	
CCCC1CCC([C@H](C)N[C@H](C)C(C)C)CC1	1968368502	LJVVKFVWMKFMNZ-QVOMUQBLSA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1NC1CCC2(CCC2)CC1	1973043739	RAVFJZBPBQWINZ-HOCLYGCPSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1CCC[C@H](C)C1	1978451806	PRBXTOSCFDUCJN-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC=C(C)C)NCCC	1981002965	WAOXIPWYPJEASA-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCCC(=O)[C@H](CC(C)C)C(C)C	1984595014	KPQGLQYWAMFXJH-PSKZRQQASA-N	224.388	4.620	0	10	BJAE	
CCC[C@@H](O)CCCCC(C(C)C)C(C)C	1988264567	LJVRFSMLGVHSPB-CQSZACIVSA-N	228.420	4.636	0	10	BJAE	
C=CC=CCCC1CC(c2ccccc2)C1	1989245177	UXBAIALRLVEYBK-UHFFFAOYSA-N	212.336	4.703	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H](CC)C(C)C	1990092073	UZDQZKJWNFDKHZ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@H](CC)NC1CCCCCC1	1990093507	LQLKMBZWXKSGPR-CQSZACIVSA-N	225.420	4.658	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCC(C)(C)C	1995252943	BGIIUFAQMCFVAT-KBPBESRZSA-N	228.420	4.780	0	10	BJAE	
CCc1ccc2occ(C[C@@H](C)CC)c2c1	1995463323	IMRUSOPVJGOXNZ-NSHDSACASA-N	216.324	4.584	0	10	BJAE	
CCCSc1ccccc1NCC1(C)CCC1	1996563324	DDYVIIRKWLSRNK-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CCCSc1ccccc1NC[C@@]1(C)C[C@H]1C	1996565222	ZDQDGSSEJLVJIX-IUODEOHRSA-N	249.423	4.647	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCC[C@H](CCC)CC1	1997193486	BZZKSFHDPMWHCH-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cc(C)ccc1F	2000214871	JYITXHYWOSQWOE-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)C[C@H](C)C1CCC1	2000515875	UARVGUCZOGWYEZ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CN(C)[C@H]1CCCC(C)(C)CC1	2000896546	LSSLIBIHMDDSMY-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)[C@H]1CCCC(C)(C)C1	2003004572	GTJXYSWABIGTNE-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC1CCCCCCCC1	2003092923	MTYCLDSFVOBSSJ-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@]1(C)C=CCCC1	2003321224	MZBGNXNATMSXCG-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@]1(CNC(C)C)CCCCC1(C)C	2005595399	IWGMLJQQNBXYRK-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@H](CC(C)(C)CC)C1	2006631512	MBUWBOVXCSEECZ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)c1cc(C)cs1	2007935810	YGRFFFSQWKQMPG-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](C=C1CCCCC1)NCC	2007939197	FPANQZXVNRKUNU-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@](C)(O)C1CCC(C)(C)CC1	2009593422	PPRVWZTZNBEFQM-SQRWCISFSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C1(CCC)CC1	2009597906	IKERZVRBDKDGET-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC=CCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1N	2009616690	LDZFSDLVJMXEIV-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1(C(C)C)CC1	2009628282	NJCHCZZKJSVYEW-ZKKXHLJNSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC)C1=CC[C@@H](C(C)C)CC1	2010719332	UIZJDKHAOHPLCB-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1CCCC(C)=C1C	2013270099	FNUVLQUNEIVOOA-JKSUJKDBSA-N	237.431	4.680	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1CCC=CCCC1	2013542660	MZUOGFKDHGPGQG-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CC(C(C)C)C(C)C	2015283706	GZFGMNHTQFEAIM-GOEBONIOSA-N	241.463	4.704	0	10	BJAE	
CCN[C@@H](CCC(C(C)C)C(C)C)CC(C)C	2015400877	RITFCLVMBOHRRZ-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccc(C)c(C)c1	2016146209	UNTXSMWATDREPI-HNNXBMFYSA-N	231.383	4.850	0	10	BJAE	
Cc1cc(N[C@H](C)C2CC=CC2)c(C)cc1Cl	2016331881	MXAKWYTYMCTTIR-GFCCVEGCSA-N	249.785	4.723	0	10	BJAE	
CC(C)=C(C)COc1ccc(C(C)(C)C)cc1	2017468442	IGTBFENPLJCYON-UHFFFAOYSA-N	232.367	4.719	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@@H](C)C1CCCCC1	2017476351	WVTSVUXNTCITJF-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C[C@@](C)(O)C2CCC2)CC1	2017647030	BPQRFROWKCUMDF-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@H](CN)C(C)C)CC1	2017735054	DFBNYSCKJBLAAD-JYJNAYRXSA-N	239.447	4.604	0	10	BJAE	
CCCCC[C@H](CC)Nc1cccc(F)c1C	2018138987	NAUSQRWXOLBREM-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCC(C)(C)[C@H]1N	2020361293	OJZPPSMTKOHDIM-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)c(-c2cc(Cl)c(C)cn2)cc1C	2023460102	BOTUYLZZCIYWBG-UHFFFAOYSA-N	245.753	4.636	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CCC[C@@H]1CC(C)(C)CC	2023997214	GABZELUWMUPMTL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC(C)(C)C1)[C@@H](C)CC	2024094299	JDPOORSSOCOBEM-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CC(C)(C)C1(C)C	2025022141	XUGLPYNYMVJAAG-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CCCc1ccc2occ(C[C@@H](C)CC)c2c1	2026534264	VPGWKLNNJUVTJZ-LBPRGKRZSA-N	230.351	4.974	0	10	BJAE	
CC1(CCC(=O)c2cccc(C3CCC3)c2)CC1	2027732895	SIRCIXNXIHAIBX-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C(C)(C)C1CC1	2028097371	DYXYVBCSAAYYIY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C(C)(C)C2CC2)cc1	2028110238	SZIMTCKOMVKAJS-GFCCVEGCSA-N	244.378	4.819	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NC)c1cc(C)ccc1C	2028267270	ZAQKDIAPJDXXKZ-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
C[C@@H](C[C@@H](O)CCCC1CCC1)c1ccccc1	2028494637	BHYLWXIOQSDUIK-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
Cc1ccc2c(ccn2CCCCCC2CC2)c1	2028634507	RWMQELYXGQNUMG-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CCCNC[C@@]1(CC2CCC=CCC2)CC1(C)C	2028875257	GKMQXMAAWJHNEX-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
O[C@@]1(CC2CCC=CCC2)CCC12CCCCC2	2028876346	ZCYYIWNZVPACEK-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@H](O)c1ccc(C2CCCC2)cc1	2031748687	BYPOUKKBHXKUMN-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
C[C@H](CC(=O)C12CCC(CC1)C2(C)C)C1CCC1	2033436788	IGXITCYHSCCULY-RFSCMCKOSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(CC2(N)CC(C3CCCC3)C2)CC1	2033779974	APNRKJQBBIZDEL-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
Cc1c(F)cccc1NCC(C)(C)C1CCCC1	2034021839	UYWNZEKJZKKEKY-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CC=C[C@H](C)N[C@@H](CC(C)(C)C)c1ccccc1	2034975835	AYKFMWKGCCYOJD-HOCLYGCPSA-N	245.410	4.718	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@H](C)[C@@H]2C(C)C)c1	2035409924	NIQFXLGZJZGAOZ-UAGQMJEPSA-N	245.410	4.786	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H](C)[C@H]2C(C)C)cc1	2035412150	RVAAVVCUXIQILU-IAOVAPTHSA-N	245.410	4.732	0	10	BJAE	
O[C@@]1(CC2CCC=CCC2)CCCCC12CCC2	2035929214	ZKEYEXADMTUJOT-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)CC1CCC=CCC1	2037208096	OVLNSKQTQHMTGE-DLBZAZTESA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](C2(CNC3CC3)CCCCC2)C1	2037694460	MMSWPZHLLQHQTR-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C1CCCCC1)C1CC=CC1	2042018197	CGNUTBDUWGUNMD-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(N)(C2=CCCCCCC2)CC1(C)C	2042337433	SUBHRBXNNYGBMU-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
C[C@H](CC[C@H]1CCc2ccccc2N1)C1CCC1	2045879132	GLNOPFALQCURGB-CJNGLKHVSA-N	243.394	4.630	0	10	BJAE	
C[C@H]1CCN(C2CCCCCC2)c2ccccc21	2046581029	JDGSNFKTHDABAV-AWEZNQCLSA-N	243.394	4.723	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047436871	HREUWFKYLOQGOX-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC2CC2)CCC12CCC2	2047946320	GUSXJKNPMRUEKQ-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CC1)[C@H]1CCCC12CCCCC2	2048120260	JWDMPEKRLOFYIJ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048370297	UDFDCZUNULWVQT-QLPKVWCKSA-N	246.394	4.662	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CC[C@H](C)CC2)c(C)c1	2049638765	UCICDQJSAWAINH-FUKZOUPISA-N	244.378	4.621	0	10	BJAE	
CC(=CC1CCC2(CC1)CC2)c1cccc(N)c1	2049850153	VUJWOSZQCKMZAJ-UHFFFAOYSA-N	241.378	4.643	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@@H]1CCC2(CC2)C1	2049851233	APPFTOAUSDWJSX-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC[C@@]2(C)C=CCC2)CC1	2049980294	XOKMIUHSDKPOSQ-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H]([C@H]1CCC(C)(C)C1)[C@]1(C)C=CCC1	2049999171	BCDIUKVCZCJSJW-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@H](N)C2CC(CC3CC3)C2)CCCCC1	2050218537	AANOAKIGYKVVDD-UYSNPLJNSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCC(NC[C@@]23CCC[C@H]2C3)CC1	2051593063	NTTVBZZTSYKNLC-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCC(N)([C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2051597673	YMACKGXKJXUITM-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CNc1ccc2ccccc2c1)C(C)(F)F	2051851868	UJJGKTPCBLMQCN-LLVKDONJSA-N	249.304	4.543	0	10	BJAE	
CCCC[C@]1(CNC2CC2)CCCCC12CCC2	2053352487	HICIXRJSSSGJJV-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)C[C@@H]1CC12CCCC2	2053405549	YGUVGQCENPFLQX-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(CN)CCCCC23CC3)C1	2053412536	SKZYXXCDATUZJQ-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@@H]2CC=CCC2)[C@@H]1C	2055622454	DHSOGSFXLUHWJU-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H]1CCC[C@@H](CC(C)C)C1	2055671421	IDQITLROPHVZIZ-ULQDDVLXSA-N	249.442	4.680	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](N)C1(C)CCC2(CC2)CC1	2056558287	DMUZTLKVSPGLKV-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)CC1CCCCC1	2056877960	FWZFWZFBFGUGMO-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@@H]21	2059224781	FSLMKHXQOCCWNK-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@@]12CCC[C@@H]1C2)C1(C)CCC1	2061574424	HIALKUWPJDTWDO-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2C[C@@H](N)CC3(CCC3)C2)C1	2063638340	GWQATIFFQWJWQY-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1cccc(C(C)C)n1	2066350494	XZWAHYLORNMGEQ-CQSZACIVSA-N	248.414	4.832	0	10	BJAE	
CC(C)c1cccc([C@H]2CCC[C@@H](C(C)C)N2)c1	2066380153	FOTSIXVYSLHJKQ-DLBZAZTESA-N	245.410	4.649	0	10	BJAE	
CN[C@H]1C[C@H](C2(C)CCCC2)C12CCCCCC2	2067498495	MMBWPZDLYMWLJW-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@H]2CCC3(CCC3)NC2)CCC1	2071948267	DKYMZYNSZXPCNF-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](C=C2CCCC2)NC)CC1	2072701178	VSWQDBKFGPDYGC-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](C)c2ccc(N)cc2)CC1	2072808434	GIQYUXBCQVTMSX-RBSFLKMASA-N	245.410	4.979	0	10	BJAE	
CCc1ccc(OC[C@H]2CC[C@H](CC)CC2)cc1	2072877153	FZMCCRDIYIZCGC-KOMQPUFPSA-N	246.394	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@@H]2CCCCC23CC3)C1	2074891147	FFRAGVADNLGPPO-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC[C@@]2(C)CCC[C@@H]12	2074896104	NETQRXKIJHUZSR-YYIAUSFCSA-N	249.442	4.610	0	10	BJAE	
CC(C)(C)C1CCC(N2CC=CCC2(C)C)CC1	2075228406	VWWIIMGHYAOKRE-UHFFFAOYSA-N	249.442	4.632	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2CCCC3(CC3)C2)C1=O	2076451518	VMSRQRJNVNXQQM-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1C[C@H]1C1CCCC1	2079436706	WSCUPIQDYWOLLK-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@]1(N)C[C@@H]1C[C@H]1C1CCCCCC1	2079831975	LWOCJDRPMVMTDZ-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H]1CCC[C@@H](CC)C1	2080258567	BMRHVQAOUKDKJF-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)c1cccc(C(C)(C)C)c1	2083543038	CXFOOHMNXIGDIZ-QWHCGFSZSA-N	244.378	4.603	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H]1CCCNC12CCCC2	2083814567	RQUQUOYORQYJHH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H]1CCCNC12CCCC2	2083818173	SINYNANAWDXUJJ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)C[C@H]2CC23CC3)CC1	2086353307	WWRZRNPOPBGERR-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
Cc1csc(C(=O)C[C@H](C)CC(C)C)c1C	2210578396	NYJGQBUQKGRYAX-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
CC(C)C(NCCCCCCC1CC1)C(C)C	2213579865	ILDNVGLVDYISQD-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
C(=Cc1ccccc1)CCCc1ccccc1	2213824714	KENSKKQCGCEMPH-UHFFFAOYSA-N	222.331	4.723	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNCCCCCCC(C)C	2215313549	SZOJNGXUDCEJFT-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(CCCC2CC2)C1	2216259118	SHISFGOGZLFFBZ-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
NC[C@@H]1CC[C@H](CCCCCCCC2CC2)C1	2216890069	DZYUFPJRWHITQY-JKSUJKDBSA-N	237.431	4.502	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@H]1CC[C@@H](C)C1	2217125401	PFPBIFWFNGRITO-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NC2CCC(C3CC3)CC2)cc1F	2218895465	VSBVAMVEFVMFEM-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CN[C@@H](CCCCC1CC1)c1c(C)cccc1C	2220028196	PUVWHVDVSXZVGB-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC1CCC(C(=O)CC2(C)CC3(CCC3)C2)CC1	2221070281	ARDIESBTLZTQOQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CC2(C)CC3(CCC3)C2)C1	2221082589	BLGOSCISGSNWOP-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H]2CC=C(C)CC2)CC1	2221665858	GLEMKZVLVLNOJW-ZGRYLRDCSA-N	249.442	4.680	0	10	BJAE	
C[C@]12CC[C@@H]1CCN2CCCCCCCC1CC1	2223123095	MIKPEPWMLVZSQZ-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
CCCCC[C@]1(CNC2CCC2)C[C@H]2CC[C@H]1C2	2223562200	UICQLISFSPSJLL-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC1(C)CCCCC1	2224089145	VWQDWICPMYPIKN-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CCC(O)(CC)CCC[C@H]1CCC[C@H](C)C1	2242812900	NRXNILUJRSSUSB-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc(C2CCC2)s1	2244712008	JONDXAFGABOXDX-JTQLQIEISA-N	236.380	4.635	0	10	BJAE	
CCC[C@@H](CC)CNc1c(C)cccc1Cl	2244804365	VMEVDAHMNNBASS-GFCCVEGCSA-N	239.790	4.887	0	10	BJAE	
CCC1(C)CC(N)(CC[C@@H]2CCC[C@@H](C)C2)C1	2246654410	AUMVACZYBBSUEO-QVOMUQBLSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@@H](N)C1CCCCC1	2247112780	MGEQNOBYNRXBRF-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CCCCC[C@@H]1C[C@H]1C	2248805187	FKDWVMNCZXTYHC-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](C)(O)CC(C)(C)C	2248869666	JCQXJONKZXTHGN-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cc2ccccc2s1	2250361419	MTHCUTHFHNBTJQ-XHDPSFHLSA-N	248.391	4.761	0	10	BJAE	
CCC(C)(C)[C@@H](N)CC[C@H](C)CCCC(C)C	2250479212	RFORYVNCZJCERH-CABCVRRESA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(C)CC[C@@H](O)C1	2250485027	JIEVIXROLJFAMQ-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CC(C)=C(F)CNCC[C@@H](C)CCCC(C)C	2250493952	SDNGVNCRBNFMAR-AWEZNQCLSA-N	243.410	4.692	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCCNCC1	2250514720	RVDFIIJXMYCWFP-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
Cc1cccc(-c2nc3c(s2)CCC[C@@H]3C)c1	2252749111	SJMICZWIHWGMNJ-NSHDSACASA-N	243.375	4.558	0	10	BJAE	
CC[C@](O)(c1ccc2ccsc2c1)C(C)(C)C	2253075536	IWEDZEQJWGVPIB-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
Fc1ccc(OCC[C@@H]2CCCCC23CC3)cc1	2253818061	YPNMFZZQRNJZMK-ZDUSSCGKSA-N	248.341	4.565	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@@H]2CC23CCCCC3)C1	2253964213	UCVZZVOFVHWMPZ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC2CC3(CCCC3)C2)C1	2254085195	ZYCAAFOJFIATJV-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)CC1CC2(CCCC2)C1	2254118016	CPJWNTTXTMUSRH-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC(C)CNCC1(CC2=CCCCC2)CCCC1	2255094154	LSGJWNTYSVEYRW-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCc1cccc(F)c1NCC1CCC(C)CC1	2256114385	IEIXBUYVWFKIDS-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
CC(C)C[C@@H](C)CNc1cc(C2CC2)ccc1F	2259126300	MMRUNKOMXWOXHN-GFCCVEGCSA-N	249.373	4.797	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@]23CCCC[C@H]2CC3)C1	2260577677	HCWLZCIBURSCBW-SUMWQHHRSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1NC[C@]12CCCC[C@H]1CC2	2260577910	IPBUERVNPCZHOP-DOTOQJQBSA-N	243.394	4.686	0	10	BJAE	
CC[C@H](C)C[C@@H](N)c1cccc(C2CCCC2)c1	2260725089	KOCYCIRDKKNOAU-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CCC(CC)CCC1(CO)CCC(C)(C)CC1	2300676665	QXIZVGBDSLURHB-UHFFFAOYSA-N	240.431	4.782	0	10	BJAE	
CCC(CC)CC[C@H]1CCCCCCC[C@H]1N	2300687006	XEKSRSRERNDSFH-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC(C)(C)[C@@H](NC)C1	2300689365	XIWDBMCQJVGPAR-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(O)(C1CCC1)C1CCC1	2300689819	BPKDNGHIWOWIDR-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCC(C)(C)C[C@H]1C	2300702282	WUWVXUMJNJCXBW-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCC(C)=CCN(C)C1CCCCCCCC1	2300888656	QAENLXUNNQZTPU-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CCC1(CC(=O)[C@H]2CC[C@H]2C(C)(C)C)CCC1	2303396507	LTQIMSUEKAWJSA-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303506866	ADPKOZHRRPOOOE-MJBXVCDLSA-N	240.431	4.636	0	10	BJAE	
CCCCCCc1nc([C@@]23CCC[C@H]2C3)cs1	2307702228	UZEOOJQJODMBMQ-SWLSCSKDSA-N	249.423	4.708	0	10	BJAE	
CCCC1CC(CNC)(C[C@@H](CC)CCC)C1	2307840337	DYZRBFHVUCCKJM-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)C(C)(C)CCF	2307909266	SXNFXKIDWHCNGK-KBPBESRZSA-N	245.426	4.567	0	10	BJAE	
CCC[C@H](CC)C[C@H](CN[C@@H](C)CC)C(C)C	2307924920	PVSLSPRGNXCKOS-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309487900	LOCKJGRLRWQUEJ-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@@]12CCCC[C@@H]1CC2	2313307982	UTITXQMTODQBTD-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)C(CC2CC2)CC2CC2)C1	2313626349	GZHJSYJEBOACRU-SWLSCSKDSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1C[C@@H]2C[C@@H]2C1	2315871732	JFDLCLLDCYYZCQ-MKZZRHPPSA-N	243.394	4.576	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1cccc2ccoc12	2316245073	FINFNHPQLFLZKU-OAHLLOKOSA-N	246.350	4.683	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CC[C@@H]2C[C@H]2C1	2316503734	RAUOOCAYOLBCOR-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](NC)c1ccc(C(C)C)cc1	2316503837	RKKDUNMOJWTIKI-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CCC(C)=CC[C@H]1CCCCC[C@H]1CNC1CC1	2316567359	HLVXMAFFSFAKKN-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@@H](N)[C@H]1CC[C@@H]2C[C@H]12)CCCC(C)C	2316571618	VDVUQCQJOWZPKP-LTIDMASMSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316871367	ADBKCFJYWDTUKL-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCC1)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317159691	WILFTHBUVMTTLP-OAGGEKHMSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1C[C@H]2C[C@H]1CC21CC1	2317180797	RKAXQJOJXBOKIP-ZJIFWQFVSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@H]1CC(C)(C)[C@H]1C)c1ccccc1	2318252399	CMGJMHBIDTYBJG-BPUTZDHNSA-N	245.410	4.552	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)CCCCC1CC1	2318887073	BDFRTTDZFAOETB-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC[C@@H]1CCCC12CC2	2318930400	XJIGQMLPBHLCTR-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)CCC[C@H]1C[C@@H]1C)C2	2318931180	PVDUNTCRVBWCTG-ZJVBCEJDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C[C@H]1CC12CCCCC2	2318940080	YYYDVWKXTHLLEU-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C[C@@H]2CCC(C)(C)C2)c1	2319023449	DWYIDQZAHZVAPK-HOCLYGCPSA-N	245.410	4.520	0	10	BJAE	
c1cc(N[C@H]2CCCC[C@@H]3C[C@H]23)cc(C2CC2)c1	2319339043	DWRKTGSHLWUGLT-PVAVHDDUSA-N	241.378	4.555	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCC[C@H]2C(C)C)CC1	2320341333	TVWWKIRJMPIZGZ-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1CC1(C)C	2320387288	FQLRMZPZBJVJMD-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2(CC(C)C)CC2)CC1	2320394124	MNMWYQQJQDEHON-HNNXBMFYSA-N	248.410	4.908	0	10	BJAE	
Fc1cccc2ccn([C@H](CC3CC3)C3CC3)c12	2320696864	NRSKTBCVCYKGKK-OAHLLOKOSA-N	243.325	4.532	0	10	BJAE	
C[C@@H](Nc1cccc(F)c1)c1ccc(Cl)cc1	19231925	LLJMMAVNEQRTDG-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cccc(C)c2C)cc1	21030714	VGLBOVOUSDKTRN-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
Cc1ccc(N[C@H](C)CCC(C)C)c(C)c1	21516650	RGNSCZKAFSXNOU-CQSZACIVSA-N	219.372	4.540	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CCCCC2)c(C)c1	37185484	CTCCJIHBSLUKSN-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
CCC[C@@H](O)CCC[C@H](C)CCCC(C)C	59217571	UGCXIXZVQXIFLH-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC(C)(C)CC(C)(C)C)C1	71114757	LMHBIKPYXNFLJJ-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
Cc1cc([C@@H](C)N[C@H]2CCCC(C)(C)C2)c(C)o1	79978934	PNPCIDGYFCWSLJ-OCCSQVGLSA-N	249.398	4.516	0	10	BJAE	
CC(C)c1ccc(CCC[C@@H](O)C(C)(C)C)cc1	80478853	KOJUFZWWHHOKSD-MRXNPFEDSA-N	248.410	4.540	0	10	BJAE	
CCC1CCC(N[C@@H]2CCC[C@@H](C3CC3)C2)CC1	81637403	PPFQONCQVIXCHO-AGZZZRPFSA-N	249.442	4.514	0	10	BJAE	
CC(C)CC[C@@H](C)n1c(C(C)C)c[nH]c1=S	82944980	VGLPRQFKXORUEU-LLVKDONJSA-N	240.416	4.666	0	10	BJAE	
CC(C)[C@@H](Nc1ccsc1)c1cccs1	85529011	ADZXAAXRHKATHU-GFCCVEGCSA-N	237.393	4.619	0	10	BJAE	
CCCCCC[C@@]1(O)CCCC[C@H]1C(C)(C)C	87164197	UGDAGZHNUHOUGA-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2cc(C)cc(C)c2)C1	87984506	WALJCDUFVVKLBZ-CABCVRRESA-N	244.378	4.703	0	10	BJAE	
CCN[C@@H](C)c1cc2c(C)ccc(C(C)C)c2o1	88073373	YPGQCGSYKLJXNV-LBPRGKRZSA-N	245.366	4.535	0	10	BJAE	
CC(C)(C)Sc1cccc(C(F)(F)F)c1	90372388	ZBESOZGDXYEQDG-UHFFFAOYSA-N	234.286	4.596	0	10	BJAE	
CC[C@@H](C)[C@@H](CNC(C)(C)C)c1ccccc1C	93189150	KABRHGQTXKOSPI-CZUORRHYSA-N	247.426	4.513	0	10	BJAE	
CCN[C@@H](C(CC)CC)C1CCC(CC)CC1	94676684	VGRPWJKNWQCPJZ-BCLQGDPASA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)C2CCCCC2)c1C	109786463	UUPUITVJHSJYHP-QGZVFWFLSA-N	246.394	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1ccc(CCC)cc1	109788340	WNEBGRJXUMAFAC-NVXWUHKLSA-N	248.410	4.889	0	10	BJAE	
CC[C@H](NCC1(C)CCCC1)c1ccc(C)cc1	111619283	YYXSHMPGDFTPGS-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](CC)CC[C@@H]1CNC	131824079	NAESBDRKIKBXNM-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)Nc1cc(Cl)c(C)cc1Cl	132022919	RDTZMEIITMHKQO-UHFFFAOYSA-N	246.181	4.902	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cc2cc(C)ccc2o1	135551694	PTNDWWPQZIDMKN-FZMZJTMJSA-N	246.350	4.601	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)CCC(C)C	163105460	LHGJFKODIJCSBD-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCCNCC1(C2CCCCCC2)CCCC1	168016895	PULZJCUNFLZTTD-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
C[C@@H](CC(=O)CC1CCCC1)CC(C)(C)C	168079408	GVPMCQRLWJCZSO-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)C(=O)[C@H](c1ccccc1)[C@H](C)CC	168652301	RATHLNIDGRPGCT-CJNGLKHVSA-N	246.394	4.822	0	10	BJAE	
CCCCC[C@H](CCCC)NC(C)(C)C	215416005	WBKFDWGCSKQNAD-ZDUSSCGKSA-N	213.409	4.514	0	10	BJAE	
CC(C)(F)C1(c2ccc(F)cc2)CCCCC1	220741495	IPAUWZPOYXBTOZ-UHFFFAOYSA-N	238.321	4.776	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)C[C@@H](C)CC[C@@H]1C	221773128	CVAKCHBNBUTKJR-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
Cc1ccsc1[C@@H](C)Nc1c(C)cccc1F	224944574	TWUVYAHPQNREHZ-LLVKDONJSA-N	249.354	4.677	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCCCC1(C)C	224965654	MYBGFKFJSNCOMK-CYBMUJFWSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H](CC)c1ccccc1	229743500	NSAMIWBBCLZEHJ-DLBZAZTESA-N	245.410	4.515	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](Nc2ccccc2)C1	230764589	KPICKMSZQADLHI-HOCLYGCPSA-N	231.383	4.703	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@H](N[C@H](C)c2ccco2)C1	230773730	PSZUDIQCLXZMBD-RBSFLKMASA-N	249.398	4.535	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)[C@@H](C)c1ccccc1	233129266	VHZBYFWASWDNLT-ZOBUZTSGSA-N	247.426	4.595	0	10	BJAE	
CCN[C@@H](c1cc(C)oc1C)C1(C)CCCCC1	233582808	ACWYAMVJUWBNQQ-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)C2(C)CCCCC2)C1	233934660	PSXQACTVCXEQCQ-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
S=c1cc[nH]c(-c2ccccc2C2CCC2)c1	236603751	OZOFGABTKWIKAN-UHFFFAOYSA-N	241.359	4.679	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCCC[C@H]2C)C1	251842049	QXVUSUJODITSLZ-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@H]1CCCC[C@H]1C	251963074	VXDJJGDSZBLHEK-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C(C)C)N(C)[C@H](C)c1ccccc1	253614784	BNEAHCZQSFXULG-NVXWUHKLSA-N	247.426	4.894	0	10	BJAE	
CC(C)c1ccc(C2(C#N)CCCC2)cc1Cl	260593424	MOYXJXRPEFWYFY-UHFFFAOYSA-N	247.769	4.799	0	10	BJAE	
Cc1cccc(O[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1C	300086830	INLBAKOSGSUYKR-JYAVWHMHSA-N	232.367	4.507	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@H](C)c1ccccc1	300471692	JRMOVVOTNWXOHC-ZMSDIMECSA-N	247.426	4.595	0	10	BJAE	
CC(C)(C)CCCC(=O)CCC(C)(C)C	300897417	QKUBISJJNNNLQC-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1c(C)c(C)cc(C)c1C	302480622	YRCTZJDACILHSM-APPDUMDISA-N	247.426	4.746	0	10	BJAE	
CCCC[C@@]1(CC)[C@H](CNC(C)(C)C)C1(C)C	306056823	XUEBWPFAVHONEF-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CSc1cc(Cl)c2c(Cl)csc2c1	306897256	SKUZHFJTLPDCME-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
Clc1ccc(CC2=CCCC2)cc1Cl	307379539	XNTYBNNNLJFREY-UHFFFAOYSA-N	227.134	4.646	0	10	BJAE	
CCc1cc(CC)c2sc(Cl)cc2c1	307528453	MPJPXPLCKBPLBH-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCC1(C[C@H](CC2CCCCC2)NC)CCC1	310161195	RFRQCJCULIAIHX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C[C@H](N)CCC2CCCCC2)CCCC1	310437522	UXDLOPNJKWJXDC-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)C[C@H]1CCC[C@H](C)C1	310492491	HOLFJFWYHKLGHK-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(CC2(N)CCCCCCC2)CC1	310518905	LNMRJMIVANJOAP-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(c2ccccc2C(C)C)C1	311031287	DZNUHOBZCJYEDC-PBHICJAKSA-N	245.410	4.564	0	10	BJAE	
CCc1ccccc1C(=O)C1CCCCCCC1	311071448	LVLVKONNGKYBAZ-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)c1ccc(C)cc1	311077411	WAPGWPFRZPLKFR-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CC[C@H](C(=O)CC1(C)CCCC1)c1ccccc1	311234242	SFYQDIPZVOCXBR-HNNXBMFYSA-N	244.378	4.720	0	10	BJAE	
C[C@H]1CC[C@H](N[C@@H]2CCCC23CCCCC3)CC1	313112301	MRUGNXSNKXDXMS-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCCCC2)CC[C@H](C)C1	317492099	SXJPTQMFWOLZDS-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)C)CCCC[C@H]1C	317502936	MAVYYSNVXBTXNP-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CC[C@](CNC2CC2)(CC2CCCC2)C1	318994656	SXHAHPJFSVEFRJ-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@H](C)[C@@H](C)CC	319132667	JBWOOPMUJNTPTO-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCCC23CCCC3)c1	328103913	MBGAICZAQUYRHW-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
CCCN[C@H](CCCC1(C)CCCC1)C1CC1	380198633	QYCJMZZXFTUCIZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)c1csc(C)c1	381329372	YNCVWFHAIZQXAY-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCCCC(C)C)cc1	383166823	KCNFQTCPGRRVLB-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CCCCCC(C)C)C1	383358060	GAIPMCRPSNVVOM-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C(C(C)C)C(C)C	384505176	QWCRNDLQGDQAEQ-QGZVFWFLSA-N	248.410	4.601	0	10	BJAE	
CCN[C@H](C)c1ccccc1C1=CC[C@@H](C)CC1	385034889	IFWKDBXBDJHBQF-ZIAGYGMSSA-N	243.394	4.561	0	10	BJAE	
Cc1cscc1NC(CC(C)C)CC(C)C	387371890	WQZYLFDNBIKKHV-UHFFFAOYSA-N	239.428	4.929	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@H]1C[C@@H]1CC	387747375	OTGIEVQXXOECAN-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC/C(=C\[C@@H](C)c1ccccc1)CNC(C)(C)C	394142552	WELKXXLYAJGEBP-FQZGENGWSA-N	245.410	4.515	0	10	BJAE	
Cc1cccc(F)c1NCCC1CCCCCC1	394626744	NTNVAXBTZLYJHV-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCCN[C@@H]([C@H]1CCCC[C@@H]1C)[C@H](C)CCC	394983277	HBDAZWWTVXTXBL-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](O)C(C)(C)C(C)(C)C)c1ccccc1	395271566	YARYPQNGALKQCB-HIFRSBDPSA-N	248.410	4.613	0	10	BJAE	
CSc1cc(C(F)F)cc2scc(F)c12	396244495	NTMKMVQAEFMERK-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1c(C)sc2c(C(F)(F)F)cccc12	396300338	IADIJQCIALVCDO-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCc1csc2cc(F)c(C(F)(F)F)cc12	396305628	WPQDEQKJJWKQSS-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1sc2c(C(F)(F)F)cccc2c1C	396311217	WUJQRKPGXUUOIN-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@H](C)C(C)(C)C	399163283	JGSLWBMOGLXGOG-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](NCCC(C)(C)CC)[C@@H]1CC1(C)C	686311953	MJUCPZTXCNHGBP-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(N[C@@H]2CCCCC[C@H]2C)ccc1F	691107428	XEIGKOYWCNGGNW-MLGOLLRUSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CC([C@H](N)CC2CC=CC2)CC(C)(C)C1	692011458	WCBULSWIZPXRQG-OAHLLOKOSA-N	249.442	4.523	0	10	BJAE	
CCCNC[C@]1(CC2CC=CC2)CCC[C@@H](C)C1	692159314	YLRNUQPIOOZOJN-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CCC(C)(C)CC	696732643	ZNWWHVIPCGSTBF-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CN[C@H](CC1=CCCC1)[C@]1(C)CC[C@H](C)C1(C)C	699116917	UDTRXBDFZFICFE-LXZKKBNFSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1O[C@@H]1CCC[C@H](C)C1	699483666	SXTKLUVFAKRGPF-DZGCQCFKSA-N	232.367	4.597	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](C(C)(CC)CC)C1	701146844	WLVUHZXZWDYELP-ILXRZTDVSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(CC)[C@H]1CCCC[C@H]1CNC(C)C	701150753	WBELHLFUQZBDPZ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]([C@@H](C)c1ccccc1)C(C)(CC)CC	701175106	UWFPXQFNWOUXPF-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
CSCc1cc(C(C)(C)C)ccc1Cl	702194197	LDSZYRBCVYASBB-UHFFFAOYSA-N	228.788	4.501	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1(c2ccccc2)CC1	703940694	VLEMQASHNZFRDW-CQSZACIVSA-N	244.378	4.504	0	10	BJAE	
CC(C)CCC[C@@]1(N)CCCCC12CCCC2	704475630	PBIYPUDFTBOSSV-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@H](C)CC(C)C	708311029	CAGIPQLOOQKDNE-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(CN)CCCCCC1	709081713	QVSYPNIYHCOKAZ-CQSZACIVSA-N	239.447	4.748	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)(C)C)C1(C)CCCC1	709101473	JFKPEYXXZODFMU-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@](C)(N)CCC(C)(C)C)C(C)(C)C	710810397	AHXQHVUBHPLGHR-WFASDCNBSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H](CC(=O)Cc1ccc(C)cc1)C(C)(C)C	711144300	HCHMVPGSOFAFNG-HNNXBMFYSA-N	246.394	4.569	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@@H]1C[C@H]1C1CC1	712920776	WPEJCCZEUWRYGS-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc([C@H](N)CC(C)(C)C(C)C)cc1	713143501	VYUOHVLEAXZCKC-MRXNPFEDSA-N	247.426	4.882	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CC(C)(C)C)CC1	713182073	IQYRINOADIBQQR-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC1(CN)CCCCCCC1	713210242	GQOINEDKJVQAPJ-UHFFFAOYSA-N	225.420	4.502	0	10	BJAE	
CCNCC1(CC(C)(C)C(C)C)CCCCC1	713215008	YQQGTSLLQILSDL-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)CC(C)(C)C(C)C	713260214	XZNOXKJIPFNADJ-HZPDHXFCSA-N	248.410	4.613	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)CC(C)(C)C(C)C	713271631	IEYYQIDFLKEPCF-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C/CCC(=O)c1ccc(C(C)C)cc1	713723350	FWSQBEMMGWLPRA-AATRIKPKSA-N	228.335	4.515	0	10	BJAE	
CCC1(CN[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CCC1	714260924	YOURCEWEFLNUJH-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCCC(C)(F)F)CC1	718643129	GOJXTMOMJRLYBX-TZMCWYRMSA-N	248.357	4.533	0	10	BJAE	
Cc1ccc(Cl)c(NCCCCC2CC2)c1	720115947	BMXQMHINYNDWSJ-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CC(C)CCCCCC(=O)C1(C)CC(F)(F)C1	720522466	ZCBZXBQIWJUPOL-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@H]2CC23CCC3)CC1	721180098	YNNJAJMFPUIXEH-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)C(=O)c1cc2cc(F)ccc2o1	721706237	SMMSFRIAUBWDKU-UHFFFAOYSA-N	248.297	4.581	0	10	BJAE	
CC(C)[C@@H]1CCCN([C@@H]2C=CCCCCC2)CC1	1559545930	JVQWICWBSVTQDL-IAGOWNOFSA-N	249.442	4.633	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1CCC[C@@H](C)C1	1621346294	UTIUDCGATLMBMF-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCN(C1CC1)[C@@H]1CCCC[C@@H]1C1CCCCC1	1652619794	DMMNBOLEABLFCD-IAGOWNOFSA-N	249.442	4.610	0	10	BJAE	
C=C/C=C/CCN(CC(C)(C)C)CC(C)(C)C	1658101696	YVSQTSFVNGBUKP-MDZDMXLPSA-N	237.431	4.513	0	10	BJAE	
CCc1cscc1NC[C@H]1CCCC[C@H]1C	1902381348	MLDBZKHANVUJNS-DGCLKSJQSA-N	237.412	4.549	0	10	BJAE	
CC(C)CC[C@](C)(O)CCC=Cc1ccccc1	1912006614	AIGYXULUEPYZEA-QGZVFWFLSA-N	246.394	4.667	0	10	BJAE	
CC=CC[C@]1(CNCCC)CCC[C@H](CC)C1	1912128946	AIYALHXJJRZPCQ-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCC=CCNc1cccc(C2CCC2)c1	1914675976	OYTFAIKJNAQAIF-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)CC[C@H]1CCC(C)(C)CC	1916007612	WBNIDHQSMJPHDY-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](N)(CC)C[C@@H](C)CC	1920192306	ZDTAYFRYQGAMHF-UONOGXRCSA-N	213.409	4.501	0	10	BJAE	
CCCCCC[C@](C)(N)c1ccc(C(C)C)cc1	1920440884	QNICCBNCVVCYTJ-KRWDZBQOSA-N	247.426	4.954	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C(C1CCC1)C1CCC1	1921429278	OJINCKQJBIBPOG-CQSZACIVSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](C=C1[C@@H](CN)CCC12CCC2)CC	1924999139	YXKOANBCCJXUFY-LSDHHAIUSA-N	249.442	4.668	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)C[C@@H]1C=CCCCC1	1925883849	FZSHPDOEQYIIEO-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)[C@@H]1CCCC1(C)C	1925915867	RPAIEAMDVGEKAJ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCN[C@@H](C)C(C(C)C)C(C)C	1926205651	SSRAYGCJUHMDMR-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@H](C)CC(C)C	1926385698	XMYKMDJFWNRPJZ-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CC1(CCCC(=O)c2sccc2Cl)CC1	1927804738	YNBZSGPVJTWUCG-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@H]1C=CCCC1	1932605745	YWQLVEUXMYDTNO-RRFJBIMHSA-N	206.373	4.949	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1csc(Cl)c1	1933600675	SJEDFQGGZZVDLY-CABZTGNLSA-N	246.803	4.651	0	10	BJAE	
CCCC[C@@](CC)(CO)[C@H](C)CCC(C)C	1937168737	IYFGQIBYSHRIGF-CABCVRRESA-N	228.420	4.638	0	10	BJAE	
CCCCCC[C@@H](NC)C1(C)C(C)(C)C1(C)C	1940283335	WQDKMGOZLXHSCQ-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1(C)CCCCC1)NC	1940413617	FEWYTSAQXSHLGK-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)CC1CC(C)C1	1940673886	QFVVZVCVPYCYOC-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC(=C[C@H](C)CC(C)(C)C)C1CCC(N)CC1	1940969637	BURHMPVVTIQSLX-GRTSSRMGSA-N	237.431	4.523	0	10	BJAE	
C[C@H](CC(=O)C(C)(C)C1CC1)C1CCCCC1	1941141113	FVAZEZOSDXCKRI-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC1(C[C@@H](O)[C@H](CC(C)C)C(C)C)CCC1	1941243223	KAMJIIKBOKILNL-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2C[C@H]3CCC[C@H]32)n1	1941714104	WZZHJOPGGZBLOC-IJLUTSLNSA-N	249.423	4.734	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)[C@H](C)CCC(C)C	1942662981	YPOZRPSCZRGHHW-OAGGEKHMSA-N	242.447	4.882	0	10	BJAE	
C[C@H]1CC(C[C@](C)(O)CC(C)(C)C)C[C@H](C)C1	1944197795	CQSUGMQFHNWQHB-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC[C@H]2C)C1	1944800198	WWOHFNHQPHOCFU-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1946260207	RLWBTVUKUFTZOE-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
Cc1coc(C)c1[C@H](O)CCCCCC(C)C	1947519731	YVVILSAUGAHITG-CQSZACIVSA-N	238.371	4.536	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)[C@@H]1CCC(C)(C)C1	1949403391	PRPRZPBNOXWWSX-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CC1CC(C)(C)C1	1949732650	FHPUTHRICRJEBQ-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCCC2(CCC2)C1	1968312615	NGMBCSGFXKSEDR-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
Cc1cc(NCCC2(C)CC2)cc(C)c1Cl	1970799898	OWQZEZDHLULSBB-UHFFFAOYSA-N	237.774	4.559	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1NC1CC2(CCCCC2)C1	1972429191	YEYYHQHJINLLOY-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)C1(C)CCCCCC1	1978452195	XTEAXOHQYXQLHG-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@H](C)CCC(=O)CC1CCCCC1	1988302399	KWXJTRHQHMAPDR-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCCCc1ccc([C@H](N)C(C)(C)C)s1	1991772006	NLERFFJWWQGYMV-ZDUSSCGKSA-N	239.428	4.527	0	10	BJAE	
CCC(CC)CC(=O)CCCCC(C)(F)F	1993594212	UZPZOZVNYYCEPP-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](C)C1(C)CCCCC1	1995974495	FHVGDHSBIRRBGZ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC[C@H](C)C(F)F)NCCC	1996090961	YAPQURAQZHRDHO-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC(C)CC[C@@](C)(O)C[C@H]1CCC=CCCC1	2000001557	NMZAEKJBYNWMIY-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@](N)([C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000058491	NWIAUUSSTKMVRM-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC(CC(=O)CCCC2CC2)CC1	2000218328	JLVSJUUEYZLEJX-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCCN(C)Cc1cc2ccccc2s1	2000913592	PVESIOFTXYPGSH-UHFFFAOYSA-N	247.407	4.523	0	10	BJAE	
CCC(C)(C)CN[C@@H](C)[C@H]1CCCC(C)(C)C1	2003023068	WGFIZDSETUPQGA-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCCCC[C@@H]1O	2003100160	PJSGJIAGSKJNDJ-HOTGVXAUSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H](C(C)(CC)CC)[C@]1(C)C=CCC1	2003320477	HOBWOBPNMBEDPU-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC1CCC(C)(CC)CC1	2004340766	DFQGINBHWHLZPG-QRNKSROTSA-N	239.447	4.760	0	10	BJAE	
C[C@@H](CC(=O)C1(C2CCC2)CC1)CC(C)(C)C	2004539330	WTJVQBUBQBJEFZ-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)CNC1C[C@H](C)C[C@@H](C)C1	2004711030	FSWFWAFVPIMNNQ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H](Nc1cccc(C2CC2)c1)C1(C)CCC1	2004840065	MOCWDTFVNHWVJL-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CC1CCC(C)([C@H](N)C2CCCCCC2)CC1	2007686611	ASIRZHHUNIKJIJ-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CCO)CC1CCC2(CCCCC2)CC1	2008714872	BDQIXKZQHGZWPA-CQSZACIVSA-N	238.415	4.536	0	10	BJAE	
C[C@H]1CC[C@@H](CCC2CCCCC2)[C@H](O)CC1	2009408972	XLUIROGQLLQWGE-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(O)(C[C@@H]2CC[C@H](C)C2)C1	2009718774	CDKZFFYJKQYFGK-QRNKSROTSA-N	238.415	4.534	0	10	BJAE	
C=C=CCC[C@](CC)(CCCC)CNC(C)C	2010984149	BBFBJSVKFBWHRU-INIZCTEOSA-N	237.431	4.692	0	10	BJAE	
CCCC(CCC)[C@H](N)CC[C@]12CCC[C@H]1C2	2011032584	ZIESDDLLAUKQIH-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CCC[C@H]1C[C@H]1C)CNC	2011581159	PCBGNSWKDNTUGB-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H]1C[C@H](CCC=C(C)C)CC(C)(C)C1	2012066544	YRTOQMVGXXRMKE-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](CC2(C)CCCCC2)N1	2013531473	TWEDLLORRRCTSO-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)[C@H](N)c1sc2ccccc2c1C	2014293209	SDOZSFYHNVEYOZ-YGRLFVJLSA-N	247.407	4.646	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H](C)C1(C)CCCC1	2014337676	DZYOXZPQXVQSIV-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@]1(CNC(C)(C)C)CCC1(C)C	2014846512	OCDWKDNBLKKKDB-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(O)(CC2(CC)CCC2)CC1	2015595341	LVDFFYKRLIPOKT-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCCC2(C)C)CCC1	2015639778	KHFGNMDXPLXFDA-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](C)c2cccc(N)c2)CCC1	2015643010	XFQULCLXGOREMM-ZDUSSCGKSA-N	231.383	4.733	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC2(C(C)C)CCC2)C1	2017115560	ZIHIFEGTJAODSZ-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CC1(C(C)(C)C)CCC1	2017139949	BKNMSQVLIWILGO-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(C[C@]2(O)CCC2(C)C)CC1	2017647868	IWPDOIUVDITAQD-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CC[C@@H](N)C(C)(C)C)CC1	2017732620	CQHWTGCHBRARJD-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)CN(C)[C@H]1CCC[C@H](CC)CC1	2019292756	BOUQKTKLYPVYTJ-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@H](NC)c1cccc2ccsc12	2020976640	NJLKEKPEXRBCOM-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1C[C@H]1C(C)(C)C)C(C)(C)C	2022557865	RKSHXSAKXZRXEO-MBNYWOFBSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H]1C[C@@H]1CN(C)CC(CC)(CC)CC	2022577683	ZJCZKNCDQUPHKA-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@H]1CC(C)(C)C[C@@H]1CC(C)(C)CC	2023607838	RBZPMFRISDCHFB-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC1CC(C)(C)CC(C)(C)C1)NC	2024092919	WFHSWDFLGRCQEO-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@H]2CC(C)(C)CCC2=O)CC1	2024122209	DEZWNOUXBZSCFN-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@H]1CCC[C@@H](C)C1	2026148391	WVFQTDQVPRUEAJ-FZKCQIBNSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CC1(CC)CC1)NC	2026164252	RGXDIYIAADQCPW-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC1(C)CCCCC1)C(=O)c1ccccc1	2027297336	RCOMIEDUQNQXIJ-CQSZACIVSA-N	244.378	4.866	0	10	BJAE	
CC(C)c1ccc([C@H](N)CC[C@H]2CC2(C)C)cc1	2027815822	QJZSKLXMODOPAH-JKSUJKDBSA-N	245.410	4.636	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)[C@]23CCC[C@@H]2C3)CC1	2028128684	UMEHVKISGGSMGS-GROLMSMHSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc2nc([C@H](CC(C)C)C(C)C)[nH]c2c1	2028257262	HYEYYSGPEOPANB-CYBMUJFWSA-N	244.382	4.657	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1ccccc1C(C)C	2029826854	SJBSJVMDQUHZDY-RHSMWYFYSA-N	248.410	4.916	0	10	BJAE	
N[C@H](C1=CCCCCC1)[C@]12CCCC[C@@H]1CCC2	2031761530	UVHSHKZXDHOUEE-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
CCCC1(CN[C@]23CCCC[C@@H]2CCC3)CCC1	2031805568	RNEPXFAJRYJIAO-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CC(CC(=O)C23CCC(CC2)C3)C[C@H](C)C1	2031830628	ZGDKYVRFMGUUFU-GXZXJKLZSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC1CC=CC1)C(C)(C)C1CCCCC1	2032347128	UMFUOMXRGOEVES-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NC1CC(C2CCCC2)C1	2035402125	BKRFAXFVIKBKSP-OTBWCIGPSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@@H](N)Cc1ccc(C(C)C)cc1	2037085160	LGYXAHPTCXXZKN-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)CC2CC3(CCC3)C2)C1	2037974051	GYOJGAAMLXFNJG-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCCC=Cc1ccccc1)C(C)(C)C	2038075432	SOMIPQMXALDJIM-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2C[C@@H]3CCC[C@H]3C2)CC1	2038554177	VBZHIASGPOZZRX-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@H]1CCC2(CC2)C1	2038574456	FNVGZYLDAHXFAH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]1C1CCCC1)C1(C)CCCCC1	2039864319	ZBKPNCPSPFCQEI-IMJJTQAJSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC(C)(C)C1CC1)[C@@H]1CC=CCC1	2042016445	KFGANBWPAMMOEE-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)C1(C)CC=CC1	2042021859	LXOVMQIDBRQYCC-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042344859	LEXZMNXTDFIWKG-NXOAAHMSSA-N	249.442	4.536	0	10	BJAE	
CCC[C@H](N[C@@H](C)CC1=CCCCC1)C1CCC1	2043187988	PVFWVAWVRXDBNN-YOEHRIQHSA-N	249.442	4.824	0	10	BJAE	
CC(=C[C@H]1CCC=CCCC1)c1ccc(N)cc1	2045316827	HITRPZOIXLBOGT-HNNXBMFYSA-N	241.378	4.809	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2CCCC3(CC3)C2)C1	2045450099	NQKMDHYUBUKWGX-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2CC23CCCCC3)CCCC1	2047011456	XNPRQPNEBFPHKE-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2CC23CCCC3)CC1	2047020531	QFHVCOJBGYKBPA-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NC[C@@]1(C)CC=CCC1	2047727300	WBGOFVNGUHONSU-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
C[C@](N)(C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2048443432	OARIKSMAESCTLM-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CCC([C@H](N)c2ccoc2)CC1	2049635900	CCBMPAVBXPVZHD-XUJLQICISA-N	249.398	4.666	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(C[C@H]2CCCC3(CC3)C2)C1	2049846549	UIXQYCBJDPYMDC-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@]1(C)C=CCC1	2050007182	CYYQBBWLPLMIQF-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
C[C@]1(C(=O)[C@H]2CCC3(CCCC3)C2)C=CCCC1	2050007851	GFLMAGMBDFLSJF-HOCLYGCPSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@@H](C1CCC(C)CC1)[C@@]1(C)C=CCC1	2050008136	SHLJEAPZONIFPY-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
C[C@]1([C@H](N)C[C@H]2CCC=CCCC2)C=CCCC1	2050009126	LIAXNDYGCDGKHT-BBWFWOEESA-N	247.426	4.587	0	10	BJAE	
Cc1ccccc1[C@H](N)CCCC[C@@H]1CC1(C)C	2050456559	RSXINRKBJXEWQD-GDBMZVCRSA-N	245.410	4.601	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1	2050462420	CBUQNNSFLJHXGT-QLFBSQMISA-N	244.378	4.640	0	10	BJAE	
CC1CCC(CCC(=O)c2cccc(F)c2)CC1	2050494736	LWHNGVWPYSHRHU-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC[C@H]2CC[C@@H]21	2052285812	CUKINQNIGRFZQS-JLJPHGGASA-N	243.394	4.630	0	10	BJAE	
CC1=C(C)[C@](N)(CC2CC(C(C)(C)C)C2)CCC1	2055598273	LIKBPZVGXWPGOD-VMBOVVBDSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CCC1=CCCCC1	2056447093	BFAVHKKZQJJHFJ-JKSUJKDBSA-N	248.410	4.908	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2[C@H]3CCCC[C@H]32)CC1	2056537810	ZAEKDSXMGBILMO-ZTPJQAPRSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(CN2CCCC23CCCCCC3)C1	2056751332	CVGGCSBOOZLZOM-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)C1CCC(C)CC1	2056876544	RFLGHRYLHJOGEM-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](N)(C=C2CCCCC2)C1	2056918930	DZBKIQQVCHBOQE-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H]1CCCC12CCC2	2059253497	RADPCYHBVQCZOO-BYQDXSGLSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(N)(CC(C2CC2)C2CC2)C1	2059490872	ZSQRKMPZBDOERS-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)C1=CC[C@@H](C)CC1	2060926490	RIFNFXKWVCNKGG-ARAOSMHQSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCC[C@@H](C(C)C)C2)CC1	2061114535	YZUPIPGWRPHUSE-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H]1CCCCC1(C)C	2061561663	ULYDVLWETKNSCU-HOTGVXAUSA-N	249.442	4.692	0	10	BJAE	
NCC1(CC[C@@]23CCC[C@H]2C3)CCCCCCC1	2061623309	QROFFJODXVXVRR-DOTOQJQBSA-N	249.442	4.646	0	10	BJAE	
O=C(CCC1CC(=C2CCC2)C1)CC1CCCC1	2061698963	GQIMOCPPKVUGTD-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CCCC(C)(C)[C@@H](CC1CC(=C2CC2)C1)NCC	2061727790	BISJBLDVOSPCLR-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C12CCCC1CCC2	2063821334	GDSNIWZXMOMWJA-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C[C@@H]1CC12CCC2	2069198330	UXFZGNOCARDMJZ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CNCCCC1=C1CCC(C(C)(C)C)CC1	2070619892	IEIPHQRZJHMHQE-CFMCSPIPSA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@@H]2C=CCCC2)CC1	2072797696	BQBDTMBILOPFSF-BACDZXNISA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC=C(C)[C@H]2N)CC1	2072800992	JQSSJTGCVIOCPL-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CNC3(CCC3)C2)CC1	2072817696	GBDIUCMBPJTLBT-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cccc2c1CCCC2	2072833033	OILNKURMSAWEHH-CYBMUJFWSA-N	245.410	4.802	0	10	BJAE	
C1CCC(CC[C@H]2CCN[C@@H](C3CCC3)C2)CC1	2073791413	QZHKJXQIFVWZOG-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@]1(CC2(CC)CC2)CCCCC12CC2	2074624949	WNNKZJQPEPBKDE-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)c1ccccc1C	2074642490	VKBPTHQFUJJILO-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CN([C@H]1CCCCC12CCC2)[C@H]1C=CCCCC1	2075401396	MMHLFHUKYDSKIV-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
CCC1(C[C@H](N)[C@H]2C[C@@H]2C2CCCCC2)CCC1	2079426566	BTOMWMBDUARNJZ-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(N[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079530658	RFKIWGHXWUAMIB-SJORKVTESA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2C[C@@H]2C2CCCCC2)CC1	2079533413	WTDPSUSYXKTLKW-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC(N[C@@H]2C[C@H]2C2CCCCCC2)C1	2079537076	OSJADZPXHJGFBO-VUROTCPHSA-N	249.442	4.514	0	10	BJAE	
CC[C@]1(C[C@@H]2C[C@H]2C2CCCCCC2)CCCN1	2079624297	BKYCDLOKYONOCY-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)C12CCCC1CCC2	2079851412	LASXKFURMNNIKF-PEUXKQIOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@]2(CC1)C[C@H]2CNC1CCC1	2083186691	CEMMMAXABWEUKA-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]2C(=O)C3(CCCCCC3)[C@@H]21	2083254073	WFXXKYLRJODCBG-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H]1C[C@H](C2CCC2)C12CCCCCC2	2083324516	FVUBORZTMFQJSC-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC1C2(CCC2)C12CCC2	2083547697	DGQUMWPBYBLCHP-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
Fc1cc(Cl)cc(C2CC=CC2)c1Cl	2210045186	YGRUMCMYKYYAPL-UHFFFAOYSA-N	231.097	4.566	0	10	BJAE	
Cc1cc(C)c(CC=Cc2ccccc2)s1	2210662740	SNRIJJACWKQGRI-UHFFFAOYSA-N	228.360	4.621	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CCCCCCC1CC1	2213571113	DKJHICLRDNHXIW-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CCCCCCC1CC1	2213578174	JHYQOUKICOWGQZ-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](CCCCC1CC1)NC	2214572297	CBROVIXGZSBUIK-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1(C)CC(C)(C)C1)C(CC)CC	2215396332	RHYWFJDAPNDHOD-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@](C)(O)CC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216765104	KVSRINGMZMHUSH-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](CCCCCCCC1CC1)NC	2216878736	FEMVMCMWIUZUCA-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CCC(C)C)C=CCCC1	2217123733	ATPHKGCRYIEOFG-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](C)(CNC1CCC1)CC1CCCC1	2217155897	GNVNKPVXAFSQTB-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN([C@@H]2CCCC[C@@H]2C)C1	2218144867	WCTFSNZGUQSNAU-YESZJQIVSA-N	249.442	4.633	0	10	BJAE	
Cc1cccc(OC[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1	2218334991	UBCKSEKUPDYDOC-ZSHCYNCHSA-N	244.378	4.590	0	10	BJAE	
CCCC[C@@H](CC)CNCC1(C2CC2)CC=CC1	2219258922	SZBHIYCQEGQJMK-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC[C@H]1CNC1CCC2(CCCCC2)CC1	2220606712	MYBZIPHAXIGUKN-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1ccc(C(C)(C)C)cc1	2220927744	KFTNBIOUPVSJCI-KBPBESRZSA-N	245.410	4.832	0	10	BJAE	
Cc1cc(Cl)ccc1OCC1=CCCCC1	2243272101	XPPCJAYXOUKWCD-UHFFFAOYSA-N	236.742	4.528	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@@H](N)C2(C)CCCC2)C1	2246657643	UJSOOUCJAKGLRE-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](CCCC[C@@H]1C[C@@H]1C)NC	2247130476	VMTBNFCXJNRWTH-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2CCC2(C)C)CC1	2247401718	WHVYVXRUBAEYQI-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
COc1ccc(CCCC2=CCCCC2)cc1	2247502287	RZVWFNAVVRHUHX-UHFFFAOYSA-N	230.351	4.518	0	10	BJAE	
CCC(C)(CC)[C@H](O)CCCCC[C@@H]1C[C@@H]1C	2248816313	RYZANNXCIXYMBY-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(N[C@H](C)c2cccs2)cc(C)c1C	2249497472	VSWBPCSRYCHOKQ-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(N)CCCCC1	2250474656	HXANZFMEMKEBCC-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(N)C1(C)CC1	2250477029	SMIMOBFRWHIUCM-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@]12CCC[C@H]1CC2	2251205802	RHLAUBWTZMOCFW-YCPHGPKFSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@H](O)c2ccc3ccsc3c2)CC1	2253061411	NWXZUZAEBBXVFH-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC1(CC[C@@H](O)c2ccc3ccsc3c2)CC1	2253089483	KGXXBPXAOFWRHO-CYBMUJFWSA-N	246.375	4.515	0	10	BJAE	
O[C@@H](C[C@@H]1CCCCC12CC2)C1=CCCCCC1	2253803230	VJIDVTRSRCVTEE-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CCC23CCC3)C1	2253940105	XVPXVQVNJIZSSW-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@H]2CCC2(C)C)cc1	2254822788	TYGBFELLYQJSEI-CVEARBPZSA-N	245.410	4.636	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)[C@@H]1CC12CCC2	2256412918	VLCWIYYKEXUJPR-HIFRSBDPSA-N	243.394	4.801	0	10	BJAE	
CC[C@H](N[C@H](C)[C@@H]1CC12CCC2)C1CCCCC1	2256418865	BCNDSLISGZPYFM-KBMXLJTQSA-N	249.442	4.514	0	10	BJAE	
c1cc2c(C3CCCC3)coc2c2c1CCCC2	2257515492	HAKYWMJDBKNYST-UHFFFAOYSA-N	240.346	4.969	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cccc(CC(C)C)c1	2259447150	KIMYDSUYBPNGCD-DOTOQJQBSA-N	247.426	4.711	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@]12CCC[C@H]1CC2	2260488151	NTHLPYFFKSHUAF-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCC[C@]1(C[C@]23CCC[C@@H]2CC3)CCCCCN1	2260578196	KHEVBDXRRXQBEN-BRWVUGGUSA-N	249.442	4.659	0	10	BJAE	
N[C@H](C[C@@]12CCC[C@H]1CC2)C1CCCCCCC1	2260587899	PKWRGLSQOSCXIH-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CC[C@@H]2CC[C@@H]21	2298227895	ODLQXNVJSAYXCU-WHOFXGATSA-N	249.785	4.503	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H](C)CC1CCC1	2298925409	DOLRUAGZUBTLMT-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)[C@H](C)C1CCCCC1	2300699223	FDKFZDPTJMVOOQ-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCC[C@H](C(C)C)C1	2300700701	NSKVVHDCXBSXFZ-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CC(=CC[C@@H]1CC[C@H](O)[C@H]1C)CCCC(C)C	2300865629	PQESURWSHMTRTP-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CC(=CCC1(CN)CC(C)C1)CCCC(C)C	2300869119	FVEHPAOWEISFRB-UHFFFAOYSA-N	237.431	4.524	0	10	BJAE	
CC(=CC[C@@H]1CCCC[C@H]1O)CCCC(C)C	2300870085	QLBJRMNFHLESOI-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1[C@@H](C(=O)C2CCCCCCC2)CC1(C)C	2302137011	WRQLCYBFJFBGFS-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CNC(C)(C)C)C[C@H]1CCC(C)(C)C1	2302709935	MGLBWIXFPLCSRV-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)c2cc(C)cs2)CC1	2303517835	ZUUNEJXYLTYTMA-KGLIPLIRSA-N	249.423	4.583	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cc(Cl)ccn2)c1	2307561876	XJQBSIAXFAOKMX-UHFFFAOYSA-N	245.753	4.834	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C[C@@H]2C[C@H]2C2CCCC2)C1	2311572080	XWUBSGILWGYTAC-QSPRXWTASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1	2312671102	WBOYAOWPOSZDPY-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CCCCCC1	2312956490	XJFXWPYRAQBVAF-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@@]12CCCC[C@@H]1CCC2	2313653691	BWDALFMXAZOHDV-FRFSOERESA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1C[C@H]2C[C@@H]1C2	2315875662	ZJFWJLZBIQHWGU-IMJJTQAJSA-N	243.394	4.576	0	10	BJAE	
CC(=CCN1CCC[C@@H]2CC[C@H]21)CCCC(C)C	2316506703	RESPPZXMHSCGNW-IAGOWNOFSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1C[C@H]1C1CCC1	2316510498	MROZBACVDSJMAD-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@H](C[C@H]1CCCCC12CC2)NCCC	2316535866	KIBHEGBGTWVVIF-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCNC[C@@H]1[C@H]2CCCCCC[C@H]21	2318379129	HDIRMGUWPSNEJY-FVQHAEBGSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(OCCCC2=CCCCC2)cc1F	2318586360	IYIBAAVHWGVHLI-UHFFFAOYSA-N	248.341	4.794	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1CC[C@H]1C[C@@H]1C1CCCCC1	2318797397	UJEUKAVBMSTZSM-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)CC1=CCCC1	2318884900	IFDYCLIYQGDZNI-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@H](O)c2ccccc2)C1	2319310199	AXOUACAHKCOVPW-HOCLYGCPSA-N	246.394	4.717	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@@H]2C[C@H]21)C1CCCCCC1	2319339510	HHFVCVBQPOPHFW-RKTXRCNFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC(C)=C(C)C1	2320269122	XJWCMKYDIHYBCQ-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)CC(C)(C)C2CC2)CC1	2320395150	UYEAMMYWFJSZND-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
Cc1c(Cl)cccc1NC1CCCCCC1	20552159	RTXDUPZQMBRCNV-UHFFFAOYSA-N	237.774	4.783	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@@H](C)c1ccccc1C	20557225	JNGDQTXKRXESEE-KBMXLJTQSA-N	247.426	4.860	0	10	BJAE	
CCCCN[C@@H](CCC)c1ccc(Cl)cc1	21520691	OKXLMFJTNBYMMF-AWEZNQCLSA-N	239.790	4.571	0	10	BJAE	
CCc1ccc([C@H](N)C[C@@H](C)CC(C)(C)C)cc1	34960841	OUFWOGORWKOHLE-CZUORRHYSA-N	247.426	4.711	0	10	BJAE	
CCN[C@H](CC(C)C)c1ccc([C@@H](C)CC)cc1	35544279	PHNJFPPIEYFHTP-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CC(C)c1ccc(C(=O)C2CCC2)c(C(C)C)c1	37357250	QUCOJUPJWMMIHT-UHFFFAOYSA-N	244.378	4.916	0	10	BJAE	
CC1=C[C@H]2[C@@H](CC1)C(C)=CCCC2(C)C	59778565	PUWNTRHCKNHSAT-KBPBESRZSA-N	204.357	4.725	0	10	BJAE	endogenous,in-man
CCCC[C@H](CC)C[C@]1(O)CC[C@H](CC)C1	70765377	NNGAOOUYPUYMCG-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCCCCC(CCCCC)NC1CCC1	71106413	QXIIBHUJUNVROX-UHFFFAOYSA-N	225.420	4.658	0	10	BJAE	
CCc1ccc(C(=O)C[C@H](C)C(C)(C)C)s1	82628090	YBOHJZXKPMJKTH-JTQLQIEISA-N	238.396	4.566	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1ccc(C)s1	82676639	KFIMGZPSUBKCIN-OLZOCXBDSA-N	240.412	4.696	0	10	BJAE	
CSc1cccc(N[C@H]2CCC[C@H](C)CC2)c1	86878106	GTYRWDIYFRCKQC-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
CC(C)c1ccc([C@]2(O)CCC[C@@H](C)CC2)cc1	86892861	PHSVCUZHVYEWRS-PBHICJAKSA-N	246.394	4.598	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)CCCC	87399041	WGNCBOQWBKGBSZ-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
Cc1cc(Cl)ccc1-c1ccc(Cl)cc1	95896324	ZHEIKHVYKBOUGB-UHFFFAOYSA-N	237.129	4.969	0	10	BJAE	
C=C=C(c1cccc(Cl)c1)C(C)(C)C	106488971	WJSNBAYBYUEMJD-UHFFFAOYSA-N	206.716	4.554	0	10	BJAE	
CC/C=C\C[C@H](C)c1c(F)cccc1Cl	107504993	YYTCJEVLIKFLSH-LWTINBJPSA-N	226.722	4.939	0	10	BJAE	
CC[C@H](C[C@H]1O[C@H]1C)c1ccc(C(C)(C)C)cc1	107538048	ZVCKPFMAQGWCGJ-WOSRLPQWSA-N	246.394	4.655	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1C)C1CCCCC1	109726555	HRBLRJUWSVBKFO-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@H](C)NC1CCC(C(C)(C)C)CC1	109946719	SSFVGCHOTQLVJR-NFOMZHRRSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc(C2CCC2)cc1	125635790	ULIYGZKZXKXVOP-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CC[C@H](C)c1csc(-c2cc(F)ccc2C)n1	132280351	SWTOIGJWOQEZSF-VIFPVBQESA-N	249.354	4.771	0	10	BJAE	
CC(C)(C)C(=O)CCc1ccc(C2CCC2)cc1	133474285	OTGJRFPKTQBYHF-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCC(CC)[C@@H](NC)c1cccc(C2CCC2)c1	133616925	IVYYROVOHXDJQX-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CC(C)CCCCN[C@@H]1CCC(C)(C)C[C@H]1C	134297737	SVMNZTGYCZTRNU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC1(CNC(C)C)CCCCC1	149095022	IOUMXHHYXGYBOX-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)[C@@H](O)[C@H]2CCCCCCCCCC[C@H]21	162351156	HPYZGZBIZRWWQQ-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C[C@H](C)CC	162473273	NEQPCVNHMWTSRH-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](c1cccc2ccsc12)C(C)C	163254441	PQMPIFVCJLEBSK-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CCN[C@@H](c1cccc2ccsc12)C(C)(C)C	163256117	JSCNOERDVXWHDJ-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1c(C)cc(C)cc1C	164021832	FOIMDYFLMKBHMA-HUUCEWRRSA-N	231.383	4.602	0	10	BJAE	
CC[C@H](C)C[C@@H](O)c1c(C)ccc2ccccc12	167655455	IGKKTCSPQRJRBU-BLLLJJGKSA-N	242.362	4.618	0	10	BJAE	
CCCC1CCC(N)(CC2CCCCC2)CC1	203332024	QCVAGOJAYXFVTR-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)CC[C@H]1C[C@@H](C)Nc2ccccc21	225563411	JTYIOAYSSBEHSA-MJBXVCDLSA-N	231.383	4.801	0	10	BJAE	
CC[C@H](C)C[C@H](O)[C@H](c1ccccc1)[C@@H](C)CC	229277861	JSVBZGXYMXEQJJ-OTRWWLKZSA-N	248.410	4.613	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1cccc(C)c1C	229348771	XKPZKWZVRQGZOA-MRXNPFEDSA-N	234.383	4.553	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC23CCCCC3)cc1	230162518	KCLMJZDVKOJNLR-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
N[C@H](CC1CCCCC1)C1=CCCCCCC1	236314143	KCOXDPZXQNCJNH-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCC[C@H](N[C@H](C)C[C@H](C)CC)c1ccccc1	251095343	CBUFBUHXUJPALJ-INMHGKMJSA-N	247.426	4.942	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	251104448	FDIQLIPJVMIGJU-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CC(C)n1c([C@H](C)C#N)cc2ccc(Cl)cc21	259962377	HRYZJBLFQUWTSP-SNVBAGLBSA-N	246.741	4.503	0	10	BJAE	
CCC[C@@H](C)[C@H](CNC)c1ccc(C(C)C)cc1	300472192	XZZJGHCVYTYVDN-PBHICJAKSA-N	247.426	4.549	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1cccc(Cl)c1	300828704	BUAQSAAWIGNGJI-LLVKDONJSA-N	238.758	4.595	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H](C)CCC(C)(C)C	304329224	DECACWBPWZZUNP-UONOGXRCSA-N	227.436	4.616	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC[C@H]2CC)cc1C	306052592	UJGXBCNWNRRKSN-WBVHZDCISA-N	245.410	4.938	0	10	BJAE	
CSc1cc(S)c2ccsc2c1Cl	306616920	QMBCNNPZESNOGC-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Fc1csc2c(Cl)cc(C(F)F)cc12	306669982	BXYQHMBEAOUQLT-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1sc2c(Cl)cccc2c1C	306860592	FBRGKNGDUYXHOL-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H](CC)CC(C)C	308093193	JINVQSFWSQPEST-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)C1(CCC)CC1	310137869	BLYHDLWVJIJSNI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](C)NCC/C=C/c1ccccc1	323843379	NTKUKTZHWXYPBG-IDJPSDCMSA-N	245.410	4.648	0	10	BJAE	
CCCCCC[C@@H](O)[C@H]1CC[C@H](CC)CC1	328372410	WMXPOCYJCXXISQ-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](O)(CCC2CCCC2)C1	383133281	WKCVVZQBAPNCDG-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
Cc1c(C(=O)C2CCCC2)ccc2ccccc12	384488289	JGJNKHDZGJGATJ-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
Cc1ccc(C)c(OCC2CCC(C)(C)CC2)c1	385262752	AUYDERORCMJEGA-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
CCc1ccc(N[C@@H](CC)c2ccco2)cc1C	385344360	YWKSASPWFVXFIA-HNNXBMFYSA-N	243.350	4.714	0	10	BJAE	
Cc1cccc([C@@H](O)C[C@H](C)C2CCCCC2)c1	386515897	MXDGTZFUJGJCNP-YOEHRIQHSA-N	246.394	4.635	0	10	BJAE	
Cc1cccc(NCCC2CCCCCC2)c1F	394611725	IBKRWYSSJQONJX-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CC[C@@](O)(CC1CCC(C)(C)CC1)C(C)(C)C	395445614	VHGKOTXGZMSFAU-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCc1cc(CC)c2sc(CC)cc2c1	396208340	TZMHDDQAJHEUME-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CC(C)NCC1(C[C@H]2CC=CCC2)CCCCC1	402385902	KEHQRIWEWORHQY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C1CC1)C1=CCCCC1	405893659	YQJUNKHKJIIWHE-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1CCC(C(=O)CCCC2CC2)CC1	405996431	LKJNXAVZOZOUBS-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)cc(NCCC(C)(C)C2CC2)c1	406053378	FRBDOWDZBZEAAA-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCCC(C)(C)CC	686303486	PVYLBUIVKZLIIN-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C(CN[C@@H]1CCCCC12CCCC2)CC1CCC1	688412222	KRPSCEDCKJPWLM-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1CC[C@H](C)CC1	689714657	FHLRKSKKNYKSEK-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)Nc1cccc(C2CC2)c1	690149992	ICXQJRSASRBMCQ-AWEZNQCLSA-N	217.356	4.555	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H](C)[C@@H]1C[C@@H]1C	690207398	QBOTZZKQTWLUEM-WOSRLPQWSA-N	245.410	4.576	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1CCC2(CC1)CC2	695672029	QAOUAPHFHBPOBU-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(=O)c1ccccc1-c1ccc(C)cc1Cl	704555121	XDQGYXFXMUIYIV-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCC[C@@H]1C)CC(C)(C)C	704993294	FDMSQZPWMIRAPJ-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CCNC[C@@H](C[C@H](C)CC(C)(C)C)C(C)(C)C	709126235	PEBXDYDEWHRQET-UONOGXRCSA-N	241.463	4.721	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1NC[C@H]1CC=CCC1	709134039	LCLUQIITZVWICD-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)CNC[C@@H](C)CC[C@@H](C)CC(C)(C)C	709184878	HJXVHIPKVZXTPD-CABCVRRESA-N	241.463	4.721	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(CNC2CC2)CC=CC1	709232966	MSOWUPBTCWNGFD-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](Nc1csc(C)c1)c1cccc(C)c1	710711657	SWEGBNRMUSIYQJ-OAHLLOKOSA-N	245.391	4.928	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H](C)C(C)(C)C	711126740	KUVWLZBATNEMSF-HIFRSBDPSA-N	227.436	4.604	0	10	BJAE	
CC[C@H](C[C@H](O)CC1(CC)CCC1)C(C)(C)C	711178995	KDDUKOBKMHNVNR-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C[C@H](O)c1ccc(C)c(C)c1)C(C)(C)C	711213345	YIEUFQGVOCAGCY-HOTGVXAUSA-N	248.410	4.799	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)CC)CCC[C@@H]1C	711297715	BZXYWEFKGQZURV-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1C[C@@H]2CCCC[C@@H]21	712410209	QWVHSYWILGHXNI-JLJPHGGASA-N	243.394	4.801	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C[C@H]2CCCC[C@H]21	712505281	WJVBAZPEXPVREK-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(N[C@@H]2C[C@@H]3CCCC[C@H]32)CC1	712524118	QUACPSYATKLGAG-DSIITGHMSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC(C)(C)C(C)C)c1ccccc1C	713138353	CDYJITIHHPGNRH-INIZCTEOSA-N	247.426	4.718	0	10	BJAE	
CCc1ccc([C@](C)(O)CC(C)(C)C(C)C)cc1	713180590	BLRIXLDYAWRSGH-QGZVFWFLSA-N	248.410	4.529	0	10	BJAE	
C=C/C=C/CC[C@@H](NCC)C(C)(C)C(C)(C)C	713681440	FFEFDNHILGSVGM-PLSXKVAHSA-N	237.431	4.559	0	10	BJAE	
CC/C=C/C[C@H](CCC)c1ccccc1	714556822	CKJYVWUWPPHECC-DYLGSBMWSA-N	202.341	4.927	0	10	BJAE	
CC(=O)c1ccc(-c2cccc(C)c2Cl)cc1	719779667	JEDWKLCCUCHKIF-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)c1ccc(C)cc1	720986509	FLUCSDHYQNFWEA-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C1CCCC1)C1CC1	724015865	XXCQSRDXGYLFDL-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CC1(CSCc2ccc(Cl)cc2)CCC1	1307257401	FHQBDMAKMRQGCB-UHFFFAOYSA-N	240.799	4.763	0	10	BJAE	
C=C/C=C/CCN(CC)[C@@H](CC)c1ccccc1	1459397749	JOJIFVDEXYFLJQ-OZSKJFCKSA-N	243.394	4.592	0	10	BJAE	
CCCC1CCC(CNCC[C@H](C)CC)CC1	1560527210	ZMLJACVATPJVNA-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCC[C@H](C)NCc1cccc(C)c1C	1620942649	QEBFUIOSEPOJSJ-HNNXBMFYSA-N	245.410	4.528	0	10	BJAE	
CCC[C@H](CC)CN(C)CCC(C)(C)CC	1905291269	CKTRZTOKDIESNS-AWEZNQCLSA-N	227.436	4.571	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)C1(C)CCCC1	1905449106	ZUJNAUUKRVCGQM-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
C=CC=CCC[C@@]1(CNCCC)CCCC[C@@H]1C	1911846601	LGDBKTIDMPCXKV-IRXDYDNUSA-N	249.442	4.705	0	10	BJAE	
CCC(C)(C)CC[C@@](N)(c1ccccc1)C(C)C	1920491244	WBYSDUOGUIQHIR-KRWDZBQOSA-N	247.426	4.713	0	10	BJAE	
CCNC[C@]1(CCC=C(C)C)CCCC12CCC2	1921656403	GLUIWPBSIVHRCU-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc2ccn(C[C@H]3C=CCCCC3)c2c1	1925790425	BDACJKTYEXHQSE-HNNXBMFYSA-N	239.362	4.696	0	10	BJAE	
F[C@@H]1CC[C@@H](CC[C@@H]2C=CCCCC2)C1	1925821573	WAEORWFBFJZFRB-MGPQQGTHSA-N	210.336	4.651	0	10	BJAE	
CSc1ccccc1NC[C@@H]1C=CCCCC1	1925918391	TVBWWIPWVHJPHY-CYBMUJFWSA-N	247.407	4.567	0	10	BJAE	
CCC(CC)CCNc1ccc(F)cc1Cl	1926131781	HFYFMIRQNYMBFZ-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)CC1(C)CCCCC1	1940400809	DFTOHFHGPFVKQL-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)CC1CCC(C)(C)CC1	1941252740	QVNGLCXVRZKRKC-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H](CCC)C(C)C	1941272763	MTZLEYYXBURMOW-HOTGVXAUSA-N	237.431	4.559	0	10	BJAE	
Cc1cc(N)ccc1SCCCCCC1CC1	1941575205	LOZIUZJLCYHBER-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H]1CCCC2(CCCC2)C1	1946454336	FSORYDJFMUZVSR-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C=CCC1)C1CCCCC1	1947557775	DJSOLRAVQIGBNJ-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
OC1(CCCC2CC2)CCCCCCCCC1	1947864988	HWLCGLOPLGZSHU-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C2=CCCCCCC2)C1	1948951423	DEDAMXMKCUVZEK-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@H]1CC12CCCCC2	1950665312	OIPSOGFWPOPCSM-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(CN)CCC[C@@H](C)CC1	1950924866	OJDJQOXDIOIXAN-OWCLPIDISA-N	239.447	4.604	0	10	BJAE	
C[C@H]1CCC[C@](CN)(CC2(C)CCCC2)CC1	1950928848	BHBAUYUNNBYVJG-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C)C2(C)CCC2)cc1	1968295865	XJRGPTOTXJGQQK-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
CCc1ccc(NCC[C@@H]2CCC[C@H](C)C2)cc1	1968314039	OCMVTGLNXNYMLT-HOCLYGCPSA-N	245.410	4.877	0	10	BJAE	
CCCC(CCC)CN[C@@]1(C)CCCC[C@H]1C	1970248907	ALXHBYLMHQABKT-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)C1CCC(N[C@@H]2CCCCC23CC3)CC1	1972725484	NYVBKVVBLPPVSC-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CC[C@H]1CCCCCCC[C@@H]1N	1980351371	NODMUVNOXMNWIP-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](CC)CCC(C)C	1986943525	JRKZYGHOIUMQGD-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC1(C)CC[C@H]([C@](C)(O)C2(C)CCCCC2)C1	1995986622	PIBHHPPBFRPPCR-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(F)(F)CCC[C@@](C)(O)C1(C)CCCCC1	1995991358	OSBJMALMKGYSCU-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC1CCC([C@](C)(N)CCCC2(C)CC2)CC1	1996569403	IEHCAMRHCZNNGR-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@@]1(C)CC=CCC1	1997545436	CNGZOKBMJQDDAZ-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC1(O)CC(C)(C)C(C)(C)C1)C(C)(C)C	1997807870	GMIFVLWQLSYUJD-GFCCVEGCSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@H](C)CC(C)C	1998033390	ZUUOXJQLNUPRBI-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)CC1=CCCCC1	1998381386	WCGOTALOYBURTJ-ZBFHGGJFSA-N	237.431	4.824	0	10	BJAE	
CCCC[C@@](C)(CNCCC)[C@@H](C)CC(C)C	2000510974	FJKBECHVYOJGLY-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)CC1(C)CC1	2002513393	BJIFWLBZVNMASA-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C[C@@H]2CCCCCC[C@H]2O)CC1	2003101406	WLCDNOJUCXYBLJ-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)[C@]2(C)C=CCCC2)c1	2003334389	LQRJSYNDPFNLLE-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H]1CCC[C@@H](CC)C1	2004233619	LBUSEDHFFNZEHT-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC1(C[C@]2(CO)CCCC2(C)C)CCCCC1	2005570064	IRGKLVBAKVLYMP-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCC1CCC([C@H]2CC(=O)C[C@H](CC)C2)CC1	2006674879	WEYYHMMABJCWRJ-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CCCCC1CC(NCCCCCC(C)C)C1	2009782901	JCPVASRLOBCKGL-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](O)CC1=CC[C@H](C(C)(C)C)CC1	2010717176	GRNLLXOMHCMECT-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@@H](NCC)C1=CCC(C)(C)CC1	2010726735	RLFPIYPYEGLHPZ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@@H]1CCCCCC12CC2	2011275867	WKZAELRWECBQIR-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)C(=O)CC1C[C@H]2CCC[C@@H]2C1	2012003351	WFMCJVVDYSMORJ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCNC[C@@](CC)(CC1(CC)CCC1)C(C)C	2012423481	ANGGMUILAXVWCW-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)C1CCCCCC1	2013236903	NPNUCNZXAAGZJK-MRXNPFEDSA-N	237.431	4.610	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1CC12CCCCC2	2013535262	LDMAGVLYJRFUNW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](NC)c1sc2ccccc2c1C	2014290871	JGXFEAIDODZWBC-IINYFYTJSA-N	247.407	4.516	0	10	BJAE	
C[C@H](NCCC1(C)CCCC1)C1(C)CCCC1	2014338716	JGJZERAFFJBMSC-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC1(C)CC(N)(CCC(C(C)C)C(C)C)C1	2015359856	GBGGCPZUYCVYKL-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@H]2CCC(C)(C)C[C@H]2O)CCC1	2015634459	RRUGZSNHGHKKLN-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H]1CCC(C)(C)C1	2017485081	CBZFURZDFPVSFO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H]2C=CCC2)CC1	2017654999	JAZMSFHOMUGIKZ-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
CCCC1CCC(C[C@H](CC)CNCC)CC1	2017728695	OHCZQTDWNDUOLP-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@](O)(CC)CCC(C)(C)C1CC1	2018130920	LQBQZXGPTDTFHS-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@]12CCCC[C@@H]1C2	2018588055	QUMBILTUVOEVOU-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCCC1(C[C@H](N)C2CCC(C)(C)CC2)CC1	2018914887	BQSKYQPHHWDAOF-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@H]1CCCCC1(C)C	2019414593	UVTXSSRMZAPLGV-CABCVRRESA-N	239.447	4.712	0	10	BJAE	
CCCc1ccccc1N[C@@H]1C=CCCCC1	2019496752	VLBPLMWTQPKCHG-OAHLLOKOSA-N	229.367	4.550	0	10	BJAE	
Cc1ccc(NCCCCC(C)(F)F)c(C)c1	2023290034	LUOWNGIXPGIGPE-UHFFFAOYSA-N	241.325	4.541	0	10	BJAE	
Cc1c[nH]c(-c2ccccc2C2CC2)cc1=S	2023471014	RXLAQUOGWVCEMB-UHFFFAOYSA-N	241.359	4.597	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@H]1CCC(C)(C)C	2023613348	RNDKNGTZRWTIJX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC1CC(C)(C)CC(C)(C)C1)[C@@H](C)O	2024126322	XEWHISDIRPDRFY-TZMCWYRMSA-N	240.431	4.636	0	10	BJAE	
CCc1ccc2[nH]c([C@@H]3CCC3(C)C)cc2c1	2024283958	AAWFJSKPOQSEDJ-ZDUSSCGKSA-N	227.351	4.634	0	10	BJAE	
CCc1ccc(C(=O)C2(C)C(C)(C)C2(C)C)cc1	2027152994	NPRMXCZVEDNLIW-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
N[C@@]1(CCCCCC2CC2)CCC12CCCCC2	2028626378	STPCRPNHDPGLEH-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC(C)(CNc1cccc2ccccc12)C(F)F	2028641644	WZUMVVLRWLBEHE-UHFFFAOYSA-N	249.304	4.543	0	10	BJAE	
CC1(C)C[C@H]1CCCN[C@H]1CCCCC12CCC2	2035886817	NFEGFNSGZVIKNS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC[C@H](C)c1ccccc1)NCC	2036497814	UWGKTGIRDWPQMG-RDJZCZTQSA-N	247.426	4.739	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(C2=CCCCC2)CC1	2037095412	LUUAODBPCDAZBH-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2[C@H]3CCCC[C@H]32)CCCCCC1	2037185530	IWMIYWAFTAFYIU-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@H]1CCC(C)(C)C1	2037571904	MAMWXZIBEQZKIL-RDJZCZTQSA-N	246.394	4.501	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)CC1CC2(CCC2)C1	2037969995	MYXOFOHXZYQXGU-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC([C@H](N)CC2CC3(CCC3)C2)CC1	2038083331	OGGMAGKSWDOEDW-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)CC1CC2(CCC2)C1	2038086867	AKXNYWVWXVHJRQ-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(N[C@H]2C[C@@H]3CCC[C@@H]3C2)ccc1C	2038621260	FOFJUCUOFOBPRO-SCAQPMJSSA-N	243.394	4.548	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@@H](N)CC1(C)CCCCC1	2039443331	ZKWKWKFKNGRXTF-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
C[C@@H](N(C)C[C@H]1C=CCCC1)C1(C)CCCCC1	2039832802	FCTUBOVRXSEFFJ-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)[C@@H]1C=CCCC1	2043187657	NMRCODSCOOZZMY-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
O[C@@]1(C[C@H]2CCC=CCCC2)CCC2(CCC2)C1	2045341309	YQUXKTYWIHCTGE-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@@H]2CC23CCCCC3)C1	2047063446	WNTJDCNEFHQSDK-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2[C@H]3CCCCC[C@H]32)C(=O)C1	2048471838	PWKSHZGWMAFPMA-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)[C@@H]1[C@H]2CCCCC[C@H]21	2049210592	CPWTYEIDNRRBJO-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2NCC23CCCCCC3)C1	2049509108	QFMPDPPCOWDIOQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@H]2CCC3(CC3)C2)C1	2049848803	LTLHYCYBRMPIEE-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)[C@]2(C)C=CCCC2)C1	2049998976	AHGAFGXOQPGTOE-MQBCKMQZSA-N	248.410	4.764	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@H](O)c1ccccc1C	2050442163	TVGJIPORUQZHAN-INMHGKMJSA-N	246.394	4.635	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC[C@H]1CCCCC12CC2	2053429669	GDPGJYNXQHILSP-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CC(C[C@]2(N)CCC23CCCCC3)C1	2056647155	YXAVCCYAYAGLNT-VMBOVVBDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@H]1CCC[C@H](C)C1	2060923963	BEMOUHWTWFQGJS-NXNVCVFFSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)C2(C)CCCCCC2)CC1	2061088065	KHSDLHKGUBGTSS-GDBMZVCRSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)CC[C@H]2CC2(C)C)CC1	2061140983	RCQUNBLMFCVEKJ-VNQPRFMTSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1ccccc1NCC[C@]12CCC[C@H]1C2	2061571506	KYHCQHQJAHICMO-YOEHRIQHSA-N	243.394	4.802	0	10	BJAE	
CN[C@H](CCCCCC1CC1)C[C@@]12CCC[C@@H]1C2	2061614703	WCSHSXAIEXXONB-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](C)NC1CC2(C1)CC21CCC1	2064111982	XNPPMVADYFIJEP-HPUBIQBYSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H]1CCCC[C@@H]1CC12CCC(CC1)CC2	2065334337	CLMJZZGXWQUUSK-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H](C[C@H]2CC23CCC3)Nc2ccccc21	2069170000	CSAKJYBHTJXRDH-HZSPNIEDSA-N	241.378	4.555	0	10	BJAE	
CCCC1(C[C@@](C)(O)c2ccccc2C)CCC1	2069340414	UWEQURZOLSUBRL-MRXNPFEDSA-N	246.394	4.563	0	10	BJAE	
CCOc1ccc(N[C@H](C)CCC=C(C)C)cc1	2070399185	PMLGJTHMPKTBQX-CQSZACIVSA-N	247.382	4.632	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H](C)C1CC=CC1	2070809783	CVUWIXVHNQRUKW-WMLDXEAASA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CC[C@H]1C[C@H]1C	2072090543	JKZZLASXWKCCDJ-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)NCC1(C[C@@]23CCCC[C@@H]2C3)CCC1	2074029166	MAUVASFCMWNBSR-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@]1(C)CCCN([C@@H](C)c2ccccc2)CC1	2074784081	DRNCRRWDYSNZKJ-RDJZCZTQSA-N	245.410	4.650	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CC=C(C(C)(C)C)CC2)C1	2074892827	PTPIPTRNSVBTAD-ZBFHGGJFSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@H]1C[C@H]1C1CCCCCC1	2079481027	AWXTTWJDOWNZCH-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1CC12CCCC2	2081779658	HINDPVMINGNMFY-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)C2=CCCCCC2)c1	2082956375	SITFNVMCFPZRGJ-KRWDZBQOSA-N	244.378	4.536	0	10	BJAE	
C[C@@H]1CC[C@@](CN)(CCCCCCC2CC2)C1	2213571939	PBZLYAVHBQYWOU-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](O)CCCCC2CC2)CC1	2214572336	CKNZYUIVPQJJGS-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC1([C@H](N)CCCCCCCC2CC2)CCC1	2216858417	CVHJCTDIGAZVOW-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)CCCCCCCC1CC1	2216879954	PBBBYMWOBPPWAB-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](CC)(CNC1CCC1)C1CCC1	2217125507	QBAWFPFNTUDYJD-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CC(C)(C)C(C)C)C(C)C	2217145601	REBOPXCTYYXRGK-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218359903	WFRUAWOEOQDABR-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
COCC1(CCC=Cc2ccccc2)CCCC1	2219075441	CKNWQCAEIAYLLB-UHFFFAOYSA-N	244.378	4.687	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@@H]1CC12CCCCC2	2220031390	UXTLRLVHOZXOGE-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCN1CCCC12CCCCCC2	2220984082	GRYLITUFVZRFDV-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)[C@H]2CCCC23CCC3)C1	2221028814	UBUPJRGBRYPBSP-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2C[C@@H]2C(C)(C)C)CC1	2221642584	HGOYURDFYQRXDG-ZQIUZPCESA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1CCNCCC1=CCCCCCCC1CC1	2223109083	HPQWONFRLAIVGU-OAHLLOKOSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)NCC1(C2CCCCC2)CC2(CC2)C1	2223553341	DMKFJQJINVXFLC-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)c1cccc2ccoc12	2224197653	HTZBPHHNPKXQNN-SMDDNHRTSA-N	246.350	4.539	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cccc(C)c1Cl	2244785403	WRCINTMJBKKIIO-NSHDSACASA-N	238.758	4.657	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC2(C)C)C1	2247390205	FNXNLOHZTWJAMQ-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C[C@H]1CCCC12CC2	2247612639	VMONWEFRVUQOIR-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CCCCC[C@H]1C[C@@H]1C)NC	2248823649	VGJSOJYXZWYSKW-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CNC[C@@H]1CCCCC1(C)C	2250380504	HFUPUGCJVKDWNK-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@]12CCCC[C@H]1CC2	2251171834	PZMJYCJJHBSHQR-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCSCCNc1cccc(C2CCCC2)c1	2251243786	PIZXNOCEESFFQP-UHFFFAOYSA-N	249.423	4.509	0	10	BJAE	
CN[C@H](CC[C@H]1CCC[C@H](C)C1)C1(C)CC=CC1	2254000018	ARGWQJNXBBOBNL-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCCC[C@@H]1C[C@H]1C	2254576393	GUSBZIOQPBHMPS-MZBWOGCUSA-N	249.442	4.523	0	10	BJAE	
N[C@H](CC1=CCCCC1)[C@H]1CCCCC12CCC2	2255134224	TXHLZHIEUONFGE-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CN(CC1=CCCCC1)C1CC(CC(C)(C)C)C1	2255138762	AEBACMKIDMEKAW-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CN(CC1=CCCCC1)C[C@@H]1CCC=CCCC1	2255143764	LRWVHUQMHMZDFF-MRXNPFEDSA-N	247.426	4.555	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cccc2ccccc12	2259464324	QQSQIRIBPOCNHS-DYVFJYSZSA-N	241.378	4.666	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CC1CC2(CC(C)C2)C1	2259573830	KZSZDDHUGYBFFH-JPWMHDLISA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](NC[C@@]12CCC[C@@H]1CC2)C1CCCC1	2260532335	DLTRGSLEQHPDPT-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CCN[C@]23CCCC[C@@H]2CC3)CC1	2260546515	ODXABHOPIHDDCU-SJORKVTESA-N	249.442	4.659	0	10	BJAE	
CC1CC(CC[C@H](N)c2cccc(C(C)C)c2)C1	2261495554	OPPXBXPEWQGVIO-KVULBXGLSA-N	245.410	4.636	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)[C@H](C)CC1CCC1	2298849114	KSEASWPOYFZNGV-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)[C@H]1CCCC(C)(C)CC1	2298909972	CJRSQILVSOKVMI-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@](C)(CC)CNCC(C)C	2300676267	MPCGQNYPDVPTEN-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)CC[C@@H](O)C[C@@H]1CCCC12CC2	2300683727	MQNSIPACKSYLOQ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@]1(CN)CCCC(C)(C)C1	2300700497	MPFJUIWJNOPZIB-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CCC(C)=CCC(=O)c1ccc2sccc2c1	2300926775	OWVNBGNQBFMGQE-UHFFFAOYSA-N	244.359	4.830	0	10	BJAE	
CCN[C@@H](CC)c1cccc(C(CC)CC)c1	2302231705	VYBUTLVITUYMLV-INIZCTEOSA-N	233.399	4.651	0	10	BJAE	
CCC(CC)CC[C@H](CCCCC1CC1)NC	2302570390	YGQNQPNVYGXDNU-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H](C)c2ccc(C)s2)CC1	2303459307	QBTSDVRIDBKSTB-KGLIPLIRSA-N	249.423	4.596	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@@H]1CC[C@H]1C(C)(C)C	2303508684	QQTGFPLVTHMTMQ-ZENOOKHLSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)C(C)(C)C(C)C)CC1	2303585484	XUSXKPIPPQAQQZ-HUUCEWRRSA-N	237.431	4.523	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2304435689	JZZDTZKITZYJQY-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1cccc(C(C)C)c1F	2307571154	ORZKKALGGOTMMP-YPMHNXCESA-N	235.346	4.550	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)[C@H](C)C1CCCCC1	2307895814	RYDATZHEWVVRRI-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H]1CC[C@@H]2C[C@@H]21)NCCC	2310192309	WMNHOXMYWZAAKI-BZURIXIGSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@](C)(NC[C@@]23CCC[C@@H]2CC3)C1	2313324593	YHRZEAMLIALDJW-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C[C@@]23CCCC[C@@H]2CC3)C1	2313353847	WFOTYXKCMWEYAI-YVSFHVDLSA-N	249.442	4.645	0	10	BJAE	
CC(=CCN[C@@H]1CC(C)(C)CCC1(C)C)C1CC1	2315260739	KZILOLXSINRCPQ-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316870671	SUNDWQXSFKDAAW-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)[C@@H]1CC=CCC1	2316873984	JEWZCKGLWYYZJL-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)[C@@]12CC[C@@H]1C2	2317009103	HXBBUJBBTOCMJA-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@@H](C)CC(C)C	2317572130	DKUCMCSMQWBVQX-LBPRGKRZSA-N	247.357	4.771	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cc(F)ccc2C(C)C)C1	2317914238	ABOIGVWTUQUQML-TZMCWYRMSA-N	249.373	4.940	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@H]1CC12CCC2	2317919925	JTIVFRANVWNFAL-GFCCVEGCSA-N	247.357	4.551	0	10	BJAE	
C1=C(CCCN[C@H]2CC23CCCCC3)CCCC1	2318543791	SHDUICPVEUUQBW-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)CCCCC2CC2)CC1	2318874699	FITXHWUIZHJCNY-RDJZCZTQSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC(C)(C)C1)c1ccoc1	2319029971	IXFMKCWEOUXWPB-HIFRSBDPSA-N	249.398	4.537	0	10	BJAE	
O=C(CCC1CCCC1)CC[C@@H]1CC[C@@H]1C1CC1	2319691544	ZKQLOEADLSTZRD-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@@H]1CCC(C)=C(C)C1	2320269120	XJWCMKYDIHYBCQ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(N)C=CCCC2(C)C)CC1	2320330285	KUFMXYMFEMPARI-DOTOQJQBSA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2Cc3ccccc3N2)CC1	2320411716	LFZZCIKAAJCZKR-GDBMZVCRSA-N	241.378	4.550	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@H]1CCC(C)=C(C)C1	2320424085	PZUWZBRPCYXEPV-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H]2CCCC[C@H](O)C2)c1	2327783684	GBNFFMQCLLTGSH-GJZGRUSLSA-N	246.394	4.527	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cccc(C(C)C)c1F	2327808522	XMUXALFURDFXFM-JSGCOSHPSA-N	249.373	4.940	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccccc2C(C)C)o1	19907254	GKHMRZNFXKSZKY-ZDUSSCGKSA-N	243.350	4.885	0	10	BJAE	
CCCCC[C@H](N)c1c(C)c(C)cc(C)c1C	20481314	QOUYLGKBBBVXDR-HNNXBMFYSA-N	233.399	4.500	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)c1ccc(C)cc1	36792343	QQIDZNHITNBKJW-LSDHHAIUSA-N	233.399	4.614	0	10	BJAE	
Fc1ccccc1N[C@H]1CC[C@@H]2CCCC[C@@H]2C1	37211252	QMOVQJSKHCYCHF-MJBXVCDLSA-N	247.357	4.597	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)C[C@H](C)C[C@@H]2C	49829126	YYHBAWZNPCNGKS-ZJUUUORDSA-N	237.774	4.544	0	10	BJAE	
CC(C)c1sc(Cl)nc1-c1ccccc1	61714242	RVUZMOJKKSMHEW-UHFFFAOYSA-N	237.755	4.587	0	10	BJAE	
CCc1oc2ccccc2c1C(=O)C(C)(C)CC	61876770	KZCMLRHYWZZMTE-UHFFFAOYSA-N	244.334	4.614	0	10	BJAE	
CC1=C[C@H]2C(=CC1)[C@@H](C)CC[C@@H]2C(C)C	64634150	JUQGWBAOQUBVFP-GZBFAFLISA-N	204.357	4.581	0	10	BJAE	in-vitro
CCCC[C@@H](CC)C[C@H]1CCCCCC1=O	71083854	PBZOXUXDIHOCGH-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
C=CCCCCc1ccc(CCCC)cc1	79166842	OTMJGOKMOUPZIG-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC[C@@H](C)C(C)C)cc1	81044567	XHQARQAQSCWTBP-CABCVRRESA-N	247.426	4.753	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(F)c(C)c2)CC1	86908485	DYAUAWOMPFLHNX-UONOGXRCSA-N	249.373	4.905	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)c1ccc(C)cc1	103937635	PQARGXXNFPIGJN-WBVHZDCISA-N	248.410	4.809	0	10	BJAE	
CCCCC[C@@H](C)NCC[C@H](C)c1ccccc1	104040787	IJJWFOICVAJMRM-JKSUJKDBSA-N	247.426	4.739	0	10	BJAE	
CCCc1ccc(-c2cc(CC)sc2N)cc1	105555564	AZEUMUPHUNACKH-UHFFFAOYSA-N	245.391	4.512	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1cccc(Cl)c1	122137471	KBQHVHPSIFRRCZ-RISCZKNCSA-N	239.790	4.556	0	10	BJAE	
CC1([C@@H](N)c2cccc(C3CCC3)c2)CCCC1	133522180	QBOQYOQWIXKVKQ-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@H](C)C1CCCCC1	149430173	XHIYXWPAZVFECK-FMKPAKJESA-N	239.447	4.760	0	10	BJAE	
CCCNC[C@H]1CCCC[C@H]1CC(CC)CC	150086451	IHJRGTNKIUYAMO-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CC1=CCCCC1	161040394	XVUZPIRJMUWTLC-ZBFHGGJFSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CC2CCCCCC2)c1	161909444	IRNXSWVTKVSKSA-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@H](CC)c1ccccc1	165057284	SGFIGFSRLQLBEP-HIFRSBDPSA-N	232.367	4.576	0	10	BJAE	
CC[C@H](C)C[C@@H](N)c1ccc(C(C)(C)CC)cc1	167349228	LGEDBWXEWQKHTI-XJKSGUPXSA-N	247.426	4.810	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1C[C@H](C)CC(C)(C)C1	212686941	HEAMUICFSNSULZ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1CCCC1(C)C	226780056	VVVAUIREFACQKK-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@@H]1CCC[C@@H](CC)C1	227006860	MYGKNINKYWNXJH-FMKPAKJESA-N	249.398	4.537	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](C2CCCCCC2)C1	227539310	GQJPEGJZYZZBTM-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCC[C@H](C(C)C)C2)c1	230995367	HBGSMBLFWIMHLV-ZFWWWQNUSA-N	249.373	4.761	0	10	BJAE	
CC(C)(C)CCc1c[nH]c2c(Cl)cccc12	232497495	JGBBUAODBNQRLZ-UHFFFAOYSA-N	235.758	4.800	0	10	BJAE	
CCCCC[C@@H](C)[C@@H]1CNc2c(C)cccc21	232954761	HTIKXUIXHQXGCD-DOMZBBRYSA-N	231.383	4.721	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@@H]1CC[C@H](C)[C@@H](C)C1	252900777	JVGVUFFCCJOBFK-GVRJEKJASA-N	240.431	4.636	0	10	BJAE	
Cc1cccc([C@@](C)(O)CCC2CCCCC2)c1	302256196	MSYLNMPSQCTGRB-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CCC1CCCCC1	302269316	QUCBOFMJODZUEB-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@H](CCC2CCCC2)C1	305949481	MTUUVDNDOUPRMU-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](NC)c1cc(C)ccc1C	308076192	NAWMRFKGEJSTEU-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)c1sccc1C	308082580	RTIJBDQEBKGPOF-QWHCGFSZSA-N	239.428	4.519	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)c1sccc1C	308082581	RTIJBDQEBKGPOF-STQMWFEESA-N	239.428	4.519	0	10	BJAE	
CCc1ccc(C(=O)[C@H](CC)CC(C)C)s1	308118494	YPPJLTRRLXJISQ-LLVKDONJSA-N	238.396	4.566	0	10	BJAE	
CCC(CC)n1ccc2cc(Cl)ccc21	308766066	WSBCEUBYVIZZHW-UHFFFAOYSA-N	221.731	4.656	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](n2ccc3ccccc32)C1	309942194	LIPZVCVKBLVCDM-NHAGDIPZSA-N	227.351	4.639	0	10	BJAE	
CC1(C)CCC(NCCC2(C)CCCC2)CC1	310319815	YIGKZJMDBOGVDQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(F)cc1NC[C@H](C)C1CCCCC1	311205246	IZZXICZFHMZQST-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
CC(C)NCC1([C@H]2C=CCCC2)CCCCCC1	317375303	KKJIIXZGCZZHSM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@](O)(C1CCC1)[C@H]1CCCC[C@@H]1CC	322826372	HXUYIBMDXDAMSB-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)NCCCCC/C=C\c1ccccc1	324121970	IMCYKCFKAPECGG-WQLSENKSSA-N	245.410	4.648	0	10	BJAE	
CC(C)NCC(C)(C)C[C@H](C)C1CCCCC1	380064462	YTFHMDHGQYTEBC-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@](C)(O)CCC(C)(C)C	382381279	HWJQDFRSHZAAJH-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
CCCN[C@H](CCCCCC(C)C)[C@@H]1C[C@H]1C	383303548	UIVCKSNQJARCRQ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](NC2CCCCCC2)c2ccccc21	385760442	UEZHHYMXTCOKMX-SUMWQHHRSA-N	243.394	4.547	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)c1ccc(C(C)(C)CC)cc1	395588537	ABYZOLGNLNIVEU-WFASDCNBSA-N	244.378	4.603	0	10	BJAE	
CSc1csc2ccc(F)c(C(F)F)c12	396249403	QLEPTOZLDSLWME-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1cc(C(F)F)c(F)c2sccc12	396259881	YHYSFYTXNVRLLA-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
FC(F)(F)c1ccccc1CCC1=CCCC1	401107378	MLNIHHMQZNDCKU-UHFFFAOYSA-N	240.268	4.748	0	10	BJAE	
Cc1c(Cl)cccc1C(=O)C[C@@H]1CC=CCC1	402142078	LAMMCHHXHSJFKN-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
Cc1ccc(C(=O)CCC(C)(C)C2CC2)c(F)c1	405754865	DKLLJKMAPVNLMC-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CC(C)(C)c1ccccc1	686655847	ZLUJCGIHUJNROU-GDBMZVCRSA-N	248.410	4.542	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@H](CC)CC(F)F	688729278	HWWGJMZURPDHIK-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CN[C@@H](CC1CCCC1)c1cccc(C(C)C)c1	688920768	QLYAMUMQVXKQQW-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CCC[C@H](C)C2)c1	688934980	FSQDRAVLEDLPQM-ZFWWWQNUSA-N	244.378	4.819	0	10	BJAE	
CCCC[C@H](CC)CC1(CNC2CC2)CC=CC1	690535556	UKYWOVIEYNYEKI-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCCSCC1	692486001	RXYYLDSUEQVEHV-ZDUSSCGKSA-N	249.423	4.508	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@H](C)C1CCC1	692685424	QLTKMLBWBWNKTO-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCCCCC1(N)C[C@H]2CC[C@@H](C2)C1	697702124	ZQOQSVPWTFXIHU-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
c1cc(C2CC2)ccc1NC1C[C@H]2CC[C@H](C1)C2	697737079	YVCKRRXHPQBYKB-STQMWFEESA-N	241.378	4.555	0	10	BJAE	
CCCN[C@@H](C(C)(C)CC)C1(C)CCCCC1	701117703	FCYWUJXGXAIXFV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CNC(C)C)CC1(C)C	702104293	XNMJRGGWHNQIJN-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@]1(C)CC1(C)C	702187888	SRDORTGWXLFLFI-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@](N)(CCC)C(C)(C)C	704877552	ADURXDDDNGDNCS-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCC23CC3)cc1	706591685	LIRADEQKGJIQSP-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
c1csc(COc2cccc3sccc23)c1	707697845	PWTNRSBSUFDZMJ-UHFFFAOYSA-N	246.356	4.542	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C[C@@H](C)CC(C)(C)C	709100993	AQWGDLFZLVSGNW-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
C[C@H](C[C@@H](O)C(C)(C)C(C)(C)C)CC(C)(C)C	709133330	YVNYYILFPLILAB-CHWSQXEVSA-N	242.447	4.882	0	10	BJAE	
Cc1cc(N[C@H](C)CCCC(C)C)c(C)cc1N	710672783	BDJJLWOMCMOQCE-CQSZACIVSA-N	248.414	4.512	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)C(C)(C)C(C)(C)C	711157895	LXQSIVCPQRFCPA-QWHCGFSZSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C[C@@H](CC)C(C)(C)C	711185430	SGAWNZDTZQQHMS-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)CC1(C)CCCC1	713046306	ZBFWZQGAOGCGLQ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(F)(F)CCC(=O)CC1CCC(C)(C)CC1	713935522	JQUQYZHOWAHPPU-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CC[C@H]2C[C@@H]12)C1CCCCC1	716836787	VBARQZGBRNHGMC-DYWXZXKOSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CCC(C)(C)CCNCC(C)C	718493351	JYGTWXXKKVNSFQ-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)C[C@@H]1CC1(C)C	722558521	MNPZXHOEECLTHR-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CC1CC(C)(C)C1	723531488	KSNFIMSMMASHTN-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
c1cc(-c2ccnc3ccccc23)cc(C2CC2)c1	1239851860	MJELBNGRFHSFBW-UHFFFAOYSA-N	245.325	4.779	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1SC1=Nc2ccccc2C1	1613548084	CAOINMFUYCAWNJ-RISCZKNCSA-N	245.391	4.585	0	10	BJAE	
C=C/C=C/CCS[C@@H](C)c1ccccc1OC	1640941802	MDHYUQZGYUZNSF-GFUIURDCSA-N	248.391	4.622	0	10	BJAE	
CCSCc1ccc(N[C@@H]2CC[C@H]2CC)cc1	1659811996	BWUGTUQKHOPTQF-UKRRQHHQSA-N	249.423	4.540	0	10	BJAE	
CC[C@H](CC=C(C)CCCC(C)C)[C@@H](C)O	1900837385	BLRAIVVNRUUNLO-HUUCEWRRSA-N	226.404	4.556	0	10	BJAE	
CCc1cscc1N[C@@H]1[C@@H](C)CCC[C@H]1C	1902377846	YPRYJYSBMSGNDW-YABSGUDNSA-N	237.412	4.547	0	10	BJAE	
CCCNCCC(C)(C)C[C@@H](CC)CCC	1905361685	OSPJNCZODZBIAA-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CC1CCCCCC1	1908534200	GLPBHKCSDBSKSU-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@](O)(CC)CC[C@@H]1C[C@H]1C1CC1	1910058130	SJZBUSNBTUDFTR-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCCNCCC=CCCCCCC(C)C	1911697142	OCWDODOHNPOBFB-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CN	1912105246	MTNDHQLTIIYXTD-OAGGEKHMSA-N	249.442	4.546	0	10	BJAE	
CCC(CC)[C@](C)(O)c1ccc(C(C)(C)C)cc1	1919629426	GKXHMTJUKBVTDM-KRWDZBQOSA-N	248.410	4.628	0	10	BJAE	
CC[C@H](N[C@H]1CCCC12CCC2)c1ccsc1	1921491929	SDOSWYHTAIEGAN-KBPBESRZSA-N	249.423	4.512	0	10	BJAE	
CCC(CC)C[C@@H](CCC[C@H]1CC1(C)C)NC	1926381809	LQQADGAUFZPCHM-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)cs1	1935907778	GHXNFSNGTUFWJN-KOXOONSLSA-N	237.412	4.539	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)C(C)(C)CC	1940873702	CUAWAPQKRCDMDX-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](O)(CCC[C@@H]1CC1(C)C)C1CCC1	1940874294	FWLQZJUMLZYYTE-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C(C)C)[C@H](C[C@H](C)CC(C)(C)C)NC	1941262218	ALGKWNFYQLOIDP-ZNMIVQPWSA-N	241.463	4.719	0	10	BJAE	
C[C@H](C[C@H](O)CCCCCC1CC1)C(C)(C)C	1941573871	UHBHQPBUJHCFDW-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](O)(CCCCCC2CC2)C1	1941576629	ULMFVXWJPICNNB-MIFYACCESA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H]1[C@H](N)CCCCCC1CC1	1941587107	PILXJONXHSLEPU-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@@H](C)CCC(C)C	1942655956	LDYPLJNYTNKETB-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@H](C)C(C)(C)CCNC(C)(C)C	1942658881	HSWNEPJGDHIDEQ-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCNc1ccc(C2(C)CC2)cc1	1944600133	MKCWBIFZKOTFBA-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCc1ccc(NC[C@@H]2C=CCCC2)cc1Cl	1947588225	SCHFAVDTDUQQIB-GFCCVEGCSA-N	249.785	4.671	0	10	BJAE	
CCC1(C)CC([C@@H](N)CC2(C)CCCCC2)C1	1948405408	MIHWGCGFJLYWOF-SLTAFYQDSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)NCCC1CC2(CCC2)C1	1949859781	OBAYQIPDDBNCJZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CC1(CO)CCCCC1	1950373776	WACOSMIRPHWRPZ-GJZGRUSLSA-N	238.415	4.536	0	10	BJAE	
CCCCCC(C)(C)CNCC1(C)CC(C)C1	1950516058	ZPJSRYMZCXLHFY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H](C)NC[C@@H]1CCCC(C)(C)CC1	1950921735	IQFUMPQMNNOMCC-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CCCC2(C)CC2)CC1	1950922766	CGZWZRTWJRKRMS-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC=CC[C@@H](C)c1cc(F)ccc1OCCC	1951308719	MGOKGKRUUZCIAZ-GFCCVEGCSA-N	236.330	4.684	0	10	BJAE	
CCC[C@@H](C)c1nc([C@@H](C)CC)cs1	1956204497	TZAYOGXOEBOMFM-VHSXEESVSA-N	211.374	4.560	0	10	BJAE	
CCC(CC)(CC)CNC1CC(CC)(CC)C1	1963154196	WYBKNIKANKAOQD-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@H]1CCC2(CCC2)C1	1969300069	BCMKBRVKWUVTNE-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(CN[C@H](C)c2ccoc2)CC1	1970469418	ZTQROJLILPHQSN-WLYUNCDWSA-N	249.398	4.537	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H](C1CCCC1)C1CCC1	1971536267	DREAJCDFPLDMPB-SJORKVTESA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)Nc1ccccc1SC(C)C	1975966994	RHNQEYKNFADIAF-GFCCVEGCSA-N	237.412	4.788	0	10	BJAE	
Cc1cc(C(=O)CCCC2CCC2)c(C)s1	1978420553	LRCFXRYIVFRZFT-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCC(C)(C)CC1(O)CCC(C)(CC)CC1	1981066868	ZCMPCJQSUISKKI-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
FC(F)(F)C1CCC(CC2CC=CC2)CC1	1981975272	BROMCMSJFSFGHE-UHFFFAOYSA-N	232.289	4.711	0	10	BJAE	
CC=CCCC[C@](C)(CCC)CNC(C)C	1984631860	GXSBLVOSRUDZKN-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@@H](C)[C@@H](C)CC	1990887534	IIWILNFJDLAFDU-KBPBESRZSA-N	227.436	4.568	0	10	BJAE	
CCCCc1ccc(CCC=C(C)C)cc1	1992375930	SPTWJFCHDWCYPP-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@H](C)[C@@H](C)CC	1995260812	YVOLCLNIMNWOKV-XQLPTFJDSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@@H](C)[C@@H](C)CC	2000389464	DIFNWFQZYNZNDC-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCNCC(CC)(CC)C[C@H]1C=CCCC1	2000500097	QUGMYFMMTLIRFB-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1CC12CCCCC2	2001234548	KMVJVBJGLIKDKT-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](C)(CNCC(C)C)CC1(C)CC1	2002513774	DSKKGNSHIMATRI-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCC(=O)CCC[C@@]1(C)CCCCC1(F)F	2002581004	VNCAYKPDLGYGAO-CYBMUJFWSA-N	246.341	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(O)CCC2CCCC2)C1	2002997366	CCVFZEJMZBULAI-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
Cc1ccccc1N[C@H](C)[C@H]1CCC[C@H](C)C1	2002998409	KYVKNWKLXPAITG-CFVMTHIKSA-N	231.383	4.622	0	10	BJAE	
CC1(CC(=O)CC2CCC=CCC2)CCCC1	2003179904	UMSMQAUJJGMZJP-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@]1(CNC(C)C)CCCCC1(C)C	2005598344	VFFGLCHOIVUGCT-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](O)C[C@H](CC)C1	2006634474	GSHDZVGPZTYKAZ-FZKCQIBNSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCC[C@@H]2F)cc1	2006677526	NTFDUILMEPPPAG-LSDHHAIUSA-N	235.346	4.503	0	10	BJAE	
CC(C)CCC[C@@H](N)C1(C)CCC2(CC2)CC1	2007692034	DBLZRWRMNLJIDF-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C(=O)CC2CC(CC)C2)CC1	2007769628	RHBYYCZHFBFUGE-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CC[C@H](C)CC1	2009617667	VGRFOUBZYBXQKY-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC[C@]12CCC[C@H]1C2	2011019297	KBYVAERHDFDBDH-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCC(F)(F)CCN(C)CC(CC)(CC)CC	2011181846	TYDJRNCJDOTKNB-UHFFFAOYSA-N	249.389	4.570	0	10	BJAE	
CCSc1ccccc1NCCC[C@H]1C[C@@H]1C	2011581487	VNIWTDPHKPZPOK-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CCC(CC)C[C@@]1(CNC(C)C)CCC1(C)C	2014848158	CGSGEAJGCANXRS-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)[C@H]1CCC1(C)C	2014934016	FKHVIRSYAHDTBW-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC[C@](C)(F)CCCCN)C(C)C	2015348372	VVDKSJVSIFBOBX-OAHLLOKOSA-N	245.426	4.552	0	10	BJAE	
CCC(CC)C[C@@H](O)CC1(C(C)(C)C)CCC1	2017120063	YZMPPEMKAKETSK-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)C1(CSc2ccccc2N)CCC1	2017144561	VLHKVIALSBUSRU-UHFFFAOYSA-N	249.423	4.577	0	10	BJAE	
CC1(C)CC[C@H](N[C@]2(C)CCCC(C)(C)C2)C1	2017622382	IHOALZAISPZOGL-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC2(CCC)CC2)C1	2018926276	ZAFDDMPMQDFSRL-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@@H](C)N(C)[C@H](C)C1CCC(C)(C)CC1	2019387155	XMZPQYSGFRTSHX-ZIAGYGMSSA-N	239.447	4.568	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H](CC)CC(C)C	2020967476	SFYWNXSFOUJOAK-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCCCc1ccc([C@@H](N)CCCCC)o1	2021522980	PQTGMEBTGJBVNW-AWEZNQCLSA-N	237.387	4.592	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@@H]1C[C@@H]1C(C)(C)C	2022559447	FRINRCYQBCTCKB-AGIUHOORSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](N)[C@H](C)CC1CC(C)(C)CC(C)(C)C1	2024100641	DSSFPKFBRQDABS-OCCSQVGLSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)Cc1csc(C2(C3CCC3)CC2)n1	2026529991	WGUZOKVMLZWWRQ-NSHDSACASA-N	249.423	4.563	0	10	BJAE	
Cc1cccc(-c2nc(C3CCC3)cs2)c1C	2026543987	HGYIQCQCXWZESL-UHFFFAOYSA-N	243.375	4.694	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CCC[C@H]1CC1(C)C	2027835271	AAKSNTSDJMEKFO-LSDHHAIUSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1CC=CC[C@]1(N)C1CCC(C(C)(C)C)CC1	2028114448	HCPJENJCTOUGDJ-ARAOSMHQSA-N	249.442	4.523	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H](CCC)C(C)C	2028257260	HYALLIVTDFXDMI-HNNXBMFYSA-N	246.394	4.894	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1ccc(C2CC2)cc1	2028590346	IXKLLLAOCFIHFO-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CC1(CNC[C@@]23CCCC[C@H]2CCC3)CCCC1	2031804710	MIZGRQOVKBOAKL-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
O=C(CCC1CCCC1)[C@@]12CCCC[C@H]1CCC2	2031848308	DENRCMZKFGCETB-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CC(C)(N[C@@H]1C=CCCCCC1)C1CCCCC1	2033147248	NIDHOFWTPDLJOZ-MRXNPFEDSA-N	249.442	4.824	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)CC[C@@H]1C[C@H]1C=CCC1	2035601628	POZNIPKIRUNYKL-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC([C@H](O)c2cccc(C(C)C)c2)C1	2036487963	ZGNXVLJEPSJIHW-AQFXKWCLSA-N	246.394	4.670	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C[C@H](C)C1CCC1	2037157048	BWCBAGAXEJXEHR-GRDNDAEWSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)CC2CCC=CCC2)C1	2037203319	FIQLDJMSZQLQHM-XIRDDKMYSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC2(CC1)CC(N)(C1=CCCCC1)C2	2038894601	FGYMGFUFHDEROX-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@@H]1CCCC[C@@H]1C)C2	2038934070	RDHJOCGBQOBNPF-ZISAHBJPSA-N	249.442	4.514	0	10	BJAE	
CCC1(CNC[C@H]2CC23CCCCC3)CCCC1	2039058414	MPTKJRJPGACUIP-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@@H]2CC=CCC2)CC1	2039386721	UJJBOJRFGOVRGL-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC1CC2(C1)CC(C)(C)C2	2039462141	PAFTXHMOOTUQRY-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NCCC1=CCCCC1)C1(C)CCCCC1	2039862454	OADSBAWLVCUYIO-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
CCCC(C)(C)CNc1cc(C(C)(C)C)ccn1	2040726454	UAGMOZFOYWIEIQ-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
CCCN[C@@H](C1CC(C)(C)C1)[C@]1(C)CC=CCC1	2042023790	FNVXRNTZBAIGMA-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@H]2C=CCCCC2)C1	2043006427	GFEPJSJDPSBLCJ-NFOMZHRRSA-N	248.410	4.764	0	10	BJAE	
N[C@]1(C[C@H]2CCC=CCCC2)CC12CCCCC2	2045317036	IRYIMWNAXKYFGD-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC=CCCC2)CCC[C@H]1C	2045319234	BNBQTVWVTCOARX-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CC1CCC=CCC1	2045682740	QFEBXAXOVYLEQX-PBHICJAKSA-N	246.394	4.684	0	10	BJAE	
CN[C@@H](CCCC1CC1)C[C@H]1CCC=CCCC1	2045732383	HYSWULXNRAWMKG-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H](NC)c1ccc([C@H]2C[C@H]2C)o1	2045742717	CRCQLOXBEKDOET-RDBSUJKOSA-N	249.398	4.634	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2046490597	OAJNNLMWBRAYBN-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CCN(C1CCCCC1)[C@@H]1CCC2(CCCC2)C1	2046569791	ZHXUTTZGBIBOSC-MRXNPFEDSA-N	249.442	4.754	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CC12CCCC2)[C@H]1CC1(C)C	2047060623	YYIBLVMWMUSKKZ-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@H]2CC23CCCCC3)[C@H](C)C1	2047060936	BEHMNGGNCFTELZ-GBJTYRQASA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048386281	YNIVXSFJTRGKTD-ALYAQQCSSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CNC2[C@@H]3CCCCC[C@@H]23)CCC1	2048390020	SFNUZPKNPCIPCR-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2048443845	ULZDKFRPAPGOTK-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@@H]2C=CCCCC2)C1	2049497025	ZASAPMUTQYDYSJ-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)NCC2CCC=CCC2)C1	2049542846	HJSOUSKPSWLTIA-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCNCC1(CC2CCC3(CC2)CC3)CCCC1	2049849891	UBUCBZUCFZUNTG-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1CCC2(CC2)C1	2049857619	NIIZEGJUSNEUHD-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)C[C@H]2CCCC3(CC3)C2)CC1	2049859673	QWQOMHYEQWEPRH-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)C[C@H]1CCC2(CC2)C1	2049867836	XTNVNJUVZZSZDP-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@H]1CCCC2(CC2)C1)c1ccccc1	2049947880	KJQLITWVKQEWEP-CQSZACIVSA-N	242.362	4.620	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@H]1CCCC2(CC2)C1	2049949390	YWKKRQMOKJIRSR-CABCVRRESA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CC(C)=C[C@H](C)C1	2051409088	OAKSETMMWIWOMF-USXIJHARSA-N	249.442	4.703	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)C1(C2CCC2)CC1	2051910292	WGKGALYRHKBFID-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCC[C@@H]2CC[C@H]21	2052279445	ITRNQFGPIGHJHT-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CN(C1CC=CC1)C1CCC2(CCCCC2)CC1	2053693896	HZRVRKGVUUBQIG-UHFFFAOYSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)C2C[C@H](C)C[C@@H](C)C2)CC1	2061118956	LEMXGYAZNYZNPL-VMUDFCTBSA-N	249.442	4.523	0	10	BJAE	
CCCNCCC(C)(C)CC1CC(=C2CCC2)C1	2061668349	OEEQIBSVPCELHB-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)(CCC(=O)C1CC(=C2CCC2)C1)C1CC1	2061737488	ROTYYTXWWMPVOO-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCc1cccc(CC)c1NCCC[C@H]1C[C@H]1C	2062654122	YABPTDCDJOFZPF-CJNGLKHVSA-N	245.410	4.660	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063491625	SODVXMVHFPOPFF-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1C[C@@H]2CCC[C@H]2C1)C1CCCC1	2063497481	QZQMSFDMCOVPOZ-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC23CCC(CC2)C3)CC1	2065334698	HEBSWCQCKOBOHF-VXLLPVPCSA-N	249.442	4.645	0	10	BJAE	
CCc1ccc(CN[C@@H](CC)CCC(C)C)cc1	2065989997	JIUKCQVXURLYJT-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cccc(C(C)C)n1	2066359964	VASAOTSCIUBLHV-ZFWWWQNUSA-N	246.398	4.586	0	10	BJAE	
Cc1cccc(F)c1NC1CC(CC(C)(C)C)C1	2067982182	AHZCXJILBKPQED-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
O=C(CC1C[C@@H]2CC[C@H]2C1)C1CCCCCCC1	2068702414	IFHAYUISCRNTFE-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CCCC1(CN2C[C@@H](C)c3ccccc32)CCC1	2069279659	ZLCNILVRSNSOSI-CQSZACIVSA-N	243.394	4.581	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2C[C@H]3CCCC[C@H]32)CCC1	2071926524	QDALFKRTMYISNF-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(C[C@@H](N)C23CCC(CC2)CC3)CCC1	2071945746	JMXMVESLOXLGFX-HWOWSKLDSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@H]2CCCC3(CC3)C2)CC1	2074647243	VQLRECLTXLBFMH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1CN(C)CC[C@@H](C)CC	2075231088	IEAHZEVQBPDYLR-HNNXBMFYSA-N	247.426	4.507	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@H]1Nc1ccccc1C1CC1	2077264663	YEEGIURGAUZWMI-DVOMOZLQSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@@H](c1ccccc1C(C)C)[C@H]1C[C@@H]1C	2079230006	GYMSWDDGQHYHNK-JQFCIGGWSA-N	245.410	4.507	0	10	BJAE	
N[C@H](CC[C@H]1C[C@H]1C1CCC1)CC1CCCCC1	2079313841	YWACDDSOYXPHFT-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2C[C@@H]2C2CCCCCC2)C1	2079526759	GFHTWZBFXIKNBN-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(NC[C@H]2C[C@H]2C2CCCC2)c1C	2079638007	AFKMNDNFAMRXRM-CVEARBPZSA-N	243.394	4.542	0	10	BJAE	
NCC1(C[C@H]2C[C@@H]2C2CCCCCC2)CCCC1	2079662998	YPOVDFZMQGLGSO-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2C[C@@H]2C(C)(C)C)c(C)c1	2079844351	UZZHUSMNMMCNPS-HIFRSBDPSA-N	244.378	4.558	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](NC)c1cc(C)cc(C)c1C	2082929296	CMIWZKRCWBTZJO-XGWLTEMNSA-N	247.426	4.555	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](C)c2cc(C)cc(C)c2)C1	2085252315	NEPHHPVCMLHYHC-UXLLHSPISA-N	245.410	4.533	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1CC[C@@H]1C	2211440578	VLNYEKZWKMLRIK-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1[C@H](O)CCCCCCC1CC1	2213575354	FGRHQPWLFNNPKJ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)CCCCCCC1CC1	2213576443	PTVKBJKBZXZSLG-LSDHHAIUSA-N	239.447	4.760	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)CCCCCCC1CC1	2213578599	NXAXMWGEGKBVOP-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC1(C)C[C@H]1CCCC[C@H](N)C1CCCCC1	2214766253	VLFNGKXBNXZRRY-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@@H]1CC[C@@H]1C	2215095064	CICSAWMUKOGGMD-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCC[C@H]1CCN[C@@H](C(C)C)C1	2215271072	JDHNAUJYIHJICA-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(O)CCC[C@@H](C(C)(C)C)C1	2216260745	ZXSNUYXRCXBWSG-TTZDDIAXSA-N	240.431	4.636	0	10	BJAE	
CC1(CCCC(=O)C2C[C@H]3CCC[C@H](C2)C3)CC1	2218329559	CPFYJRVTVZCVTH-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218333875	RWYCWWVVVTVWNF-ALYAQQCSSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C(=O)CC2C[C@H]3CCC[C@H](C2)C3)CC1	2218337884	ZZLMVHKQNRCWOE-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218375302	ULYAYRYMLQJABP-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
O=C(C/C=C/c1ccccc1)C1CCCCCC1	2219090490	MUMJJBXIGQOWHM-DHZHZOJOSA-N	242.362	4.629	0	10	BJAE	
CNC[C@]1(CCCCC2CC2)CCCCC12CC2	2220038847	HYMVVPOODHCLBL-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
N[C@H](CC[C@@H]1CC2CCC1CC2)C1CCCCC1	2220288778	OBKUPVFPIPEYKY-GMGZGELVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](O)(CC[C@H]1C[C@H]1CC)c1ccccc1	2220850761	MQELRUBKCNAATI-VYDXJSESSA-N	246.394	4.501	0	10	BJAE	
Cc1ccc([C@@H](O)CC2(C)CC(C)(C)C2)c(C)c1	2220999440	AMPBSGGHQJROQB-HNNXBMFYSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc(NCC2(C)CC3(CCC3)C2)c(F)c1	2221025982	QRYFJMKBMXPBCI-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@]1(C)CC=C(C)CC1	2221627353	AZJQVGXAPLSHIG-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](CN[C@H](C)[C@@H]2CCC[C@H](C)C2)CC1	2221632682	RDMDATWLKFGAPB-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)c2cc(C)cc(C)c2)CC1	2221644759	UWPVBKBVQVGGQK-KRWDZBQOSA-N	242.362	4.623	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)[C@@H](C)C1CCCCC1	2221929313	WULYBQFMVIWEGH-WMLDXEAASA-N	245.410	4.520	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)[C@H]1CCC[C@@H](C)CC1	2222013736	KZSYDHFXMPLGRX-ISTRZQFTSA-N	245.410	4.520	0	10	BJAE	
N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CCCCCCCC1CC1	2223130433	MSNQPOPBDINFSS-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCC1(CNC2CCC2)CC2(CC2)C1	2223566888	SQPDBWHBICIIJR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)c1ccc2occc2c1	2224204051	YDHYFWCLUVYAJM-AWEZNQCLSA-N	246.350	4.539	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C[C@@H]1CCCCC12CC2	2246603431	QYGNPSZFOZSLCJ-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@](C)(O)CC[C@@H]1CCCCC12CC2	2246635633	XTEIHEXAKCZMKY-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@@H](N)CC[C@H]2CCC[C@@H](C)C2)CCC1	2246660171	NXUBABCGSUUBMC-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CC1=CCCCC1)c1csc(C2CC2)c1	2248049366	UADSXVWSJBSUHZ-AWEZNQCLSA-N	247.407	4.516	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(O)CCC(C)(C)C1	2248870713	MWKZXEQCCJRXDQ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CNC[C@H](C)[C@@H](C)CC[C@@H](C)CCCC(C)C	2250468465	DKCAYDLTBVBIRJ-JYJNAYRXSA-N	241.463	4.721	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN1CCCCCC1	2250518136	HCHNQTPCQLBSBR-MRXNPFEDSA-N	239.447	4.715	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)[C@@]1(C)CCN1	2250528757	NTAMJOFRZQFUDA-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CC2(CCCC2)C1)C1CCC(N)CC1	2254077700	RXZYRQLEIAPANW-JEYLPNPQSA-N	249.442	4.501	0	10	BJAE	
NCC[C@H]1CCC[C@@H](CC2CC3(CCCC3)C2)C1	2254084136	LSNCFDUMXCDSKY-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@H]2CCC23CCC3)C1	2254822829	UGCJJOMIMZAITF-GDBMZVCRSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc2ccn(C[C@H]3CCC34CCC4)c2c1	2254980271	SGNJIXYUSIRVNW-OAHLLOKOSA-N	239.362	4.530	0	10	BJAE	
CCC1CCC([C@@](C)(N)CC2=CCCCC2)CC1	2255090903	FBPQIUXGNSDCCD-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
CCCCCC1CC(N[C@H](C)[C@@H]2CC23CCC3)C1	2256418919	FUXBAQQWHXYABO-LMPOIIKSSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H]3CC[C@@H]32)cc(C)c1C	2258240530	DEFRAQURBZVSHA-HYVNUMGLSA-N	243.394	4.602	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)[C@@H](CC)CCC	2259446119	YFNWPRPDFJBRIJ-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
C[C@H](C[C@@H]1CCNc2ccc(F)cc21)C(C)(C)C	2261340788	XNJQKXXWVSZWLG-NEPJUHHUSA-N	249.373	4.797	0	10	BJAE	
C[C@H](N[C@@H]1CC(C)(C)CCC1(C)C)c1ccco1	2261386581	POHXCJLPESEXFS-GXTWGEPZSA-N	249.398	4.535	0	10	BJAE	
C1=C[C@@H](Cc2ccccc2-c2ccccc2)CC1	2263186121	OETNDFGYKLRMRG-OAHLLOKOSA-N	234.342	4.862	0	10	BJAE	
CC(=CC[C@@H](C(=O)O)C(C)C)CCCC(C)C	2300893560	TWUIRUCHCFFPNV-CQSZACIVSA-N	240.387	4.506	0	10	BJAE	
CCC[C@](N)(CC1CCCCCC1)C1CCC1	2301144237	BRRQGQJDEFFJJH-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C(=O)CC1CCCCCC1)C(C)C	2301144924	JBUMGWVZAXJXFX-HNNXBMFYSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@H](N)CCCC1=CCCCC1	2302348955	JWKUVDDPTKVHJU-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CC[C@H](C)C[C@H](CCCC1=CCCCC1)NC	2302360483	BBCSFMGKRYGVGE-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)CCCCC2CC2)C1	2302571073	GPYWIBJDJHIYBT-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](O)C2CCCCCC2)C1	2302892929	QKRLAIMZGZOLAG-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCNCCC(C)(C)C[C@@H]1CCC(C)=C(C)C1	2303579079	JQKXLKPASGVGGX-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
C1=CCC(CCc2cccc(C3CCC3)c2)C1	2303764972	RLNCVVYLQVVABG-UHFFFAOYSA-N	226.363	4.853	0	10	BJAE	
CCC[C@H](CC)CC(C)(C)CCNCC(C)C	2307827148	VDHJXUJCEVLEES-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)C1CCCCC1	2307895701	WRMVVXDUCPRINL-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC[C@@H](C[C@@H]2C[C@H]2C2CCCCCC2)C1=O	2311609515	DVVWUJPZTAXZBS-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311610420	QNFSKLJUFVJBFS-FXUDXRNXSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C(CC2CC2)CC2CC2)C1	2313628200	DNKDXMZCINARDV-AWEZNQCLSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C[C@H](C)C1CCC1	2317978076	YUKSZIFXNYLTOP-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H]1C3	2318852830	WIOUHCWUTJYXCB-JQWIXIFHSA-N	239.362	4.515	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CC2CCCCC2)CC1	2320388305	OREBTVACRIPFDB-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1	2320415182	YFGOCZGMDAGHIW-XLNGHYISSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(N[C@H](CC2CC2)C2CC2)cc1	2320616862	OZUCRHIIERZJIF-QGZVFWFLSA-N	243.394	4.801	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H](CC2CC2)C2CC2)CC1	2320778793	JBTATJUOJQIUBK-RDJZCZTQSA-N	246.394	4.518	0	10	BJAE	
CCc1cc(F)cc(N[C@H](C)CC2CCCC2)c1	2321086430	CIAFONWXYRXXQT-GFCCVEGCSA-N	249.373	4.769	0	10	BJAE	
FC(F)CC12CC(C/C=C/c3ccccc3)(C1)C2	2321621041	BRKBRLOAUZDYSF-QPJJXVBHSA-N	248.316	4.915	0	10	BJAE	
C=COC[C@@H](C)CCC[C@H](C)CC(C)C	2023943	SSOZLSNWPFIHKP-KBPBESRZSA-N	212.377	4.635	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CCC[C@H](C)C1	21819579	WBADSQGZHNFAAF-JQWIXIFHSA-N	237.774	4.639	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(Cl)cc1F	37056225	AWTGOUXFRONUNE-SNVBAGLBSA-N	243.753	4.860	0	10	BJAE	
Cc1ccc2c(Cl)c(Cl)cc(Cl)c2n1	62622453	OJQJTMYTXJPUJG-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H](C)c1cc(C)ccc1C	70106487	RKXVNEIZNLBNHS-GDBMZVCRSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CCCCCC1	71084907	BZSSANABFSRWFF-AWEZNQCLSA-N	225.420	4.645	0	10	BJAE	
Fc1cccc(C(F)(F)F)c1C1CCCC1	75840479	VWGZGDGPGHAWAT-UHFFFAOYSA-N	232.220	4.502	0	10	BJAE	
Cc1ccc(Cl)cc1C1CCCCC1	75841183	ACXZOSDEZOBXHD-UHFFFAOYSA-N	208.732	4.696	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCCC(C)(C)C1	83783390	CKKOMTCLYHUERP-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
Cc1ccccc1-c1c(C)cccc1Cl	85389188	AYTKDGGKBQDSML-UHFFFAOYSA-N	216.711	4.624	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@@H](C)CC2)cc1	86879139	DVYGWEAXCQIRHQ-UKRRQHHQSA-N	231.383	4.630	0	10	BJAE	
CCCC1CCC([C@H](N)c2ccc(C)cc2)CC1	87962557	DQCQLRITKBJEBS-BDVYOWHSSA-N	245.410	4.601	0	10	BJAE	
CCCCC[C@@H](C)NCc1cccc(C2CC2)c1	94518355	PRNGNXRNEIDSFS-CQSZACIVSA-N	245.410	4.622	0	10	BJAE	
CCCNC[C@@H](c1cccc(C)c1)C(CC)CC	94675630	KDROUEGIRWLAPB-QGZVFWFLSA-N	247.426	4.514	0	10	BJAE	
CN[C@H](c1ccccc1)C1(CC(C)C)CCCC1	94899938	CYWUSSGTYFACKQ-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CCCCC[C@H](C)Nc1c(C)cc(C)cc1C	109899014	DODFRLXXQWRWKZ-HNNXBMFYSA-N	233.399	4.993	0	10	BJAE	
CCCC[C@@H](CC)CC1(C(=O)O)CCCCC1	112873997	YPHPCRJLVPQYAG-CYBMUJFWSA-N	240.387	4.628	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCC[C@@H](CC)CC1	129376969	FAISCQBXVHVXKN-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CC[C@H](C)c2ccccc21	136964913	JLTCLOVFCHDFNP-ZQIUZPCESA-N	245.410	4.793	0	10	BJAE	
CC(C)CNCCC(C)(C)C1CCCCCC1	150068986	YKNANNGSZFHMBA-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCCC[C@@H]1CNCC	155784521	TWZLWIYAKBEARF-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H](CC)c1ccccc1	158286820	YUNLFKAVOJHHSY-DLBZAZTESA-N	247.426	4.739	0	10	BJAE	
Cc1cc(N)cc(Oc2cccc3ccccc23)c1	165922405	SPJJXQAZNCWJQZ-UHFFFAOYSA-N	249.313	4.523	0	10	BJAE	
CCCC(CCC)[C@H](N)C1C[C@@H](C)C[C@H](C)C1	168143487	DDHJVNUUVQIKHT-XEZPLFJOSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CC[C@@H](NCC)[C@@H]1C	224982178	JIBCDUDABYTHQB-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@@H](CC)c1ccccc1	229158697	OFKGPBOCDMAKQN-DLBZAZTESA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H]1CCC[C@@H](C)C1	229198726	VDIGNJFPTSQQKT-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C)[C@@H](CNC(C)C)C1=CCCCC1	233286497	RWFQINDKGOVUBD-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)NC[C@@H](c1ccccc1)C(C)C	233345414	XVOTYFXJOKOKHW-DLBZAZTESA-N	247.426	4.595	0	10	BJAE	
Cc1cccc2c1NC[C@@H]2[C@H](C)C1CCCCC1	235397836	FLSLKMYRGBZARG-CZUORRHYSA-N	243.394	4.721	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)C[C@H]1CC(CC)CC	250825628	PJWFSJLGOCZALA-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H]([C@H]2CCNc3ccccc32)C[C@H]1C	300115237	DITDXMMRPJSIMB-APIJFGDWSA-N	243.394	4.658	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)[C@H]1CCCCC1(C)C	300281400	CNDUREMSCQMIAX-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCC[C@H](CC(C)C)C1	300308652	JVPIFPYIZVVAEE-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CC[C@@]1(CCC2CCCCC2)CCCCCN1	302287301	WIELIPUNOHZDLI-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
Cc1cc2ccccc2n1C[C@H](C)CC(C)C	302303035	HMLBKWVZRIXOAU-CYBMUJFWSA-N	229.367	4.632	0	10	BJAE	
C[C@H](CCC(C)(C)C)Nc1cc(F)ccc1F	306011443	IENSNHWFMJQYIZ-SNVBAGLBSA-N	241.325	4.592	0	10	BJAE	
Cl/C=C/CNc1cccc(-c2ccsc2)c1	309659407	XHEFQLIKTPKEFI-QHHAFSJGSA-N	249.766	4.580	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](CCC(C)C)C1CC1	310220931	LFUBRSPZCIEVJD-BBRMVZONSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](CCC(C)(C)C)Nc1ccc(F)cc1F	310286109	GNCKBAQAZMLBQT-JTQLQIEISA-N	241.325	4.592	0	10	BJAE	
CCCC[C@@H](C[C@H](C)C1CCCCC1)NCC	310353297	RFPDUABOMYIGCU-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C)c1cccc(C2=CC[C@@H](C)CC2)c1	310618065	FRMSVAWZYWJJGM-ZIAGYGMSSA-N	243.394	4.561	0	10	BJAE	
CC(C)Oc1ccc2c(ccn2[C@@H](C)C(C)C)c1	319558075	OUEMQHZIBCAFHC-ZDUSSCGKSA-N	245.366	4.646	0	10	BJAE	
CC1(C)[C@@H](N)C12CCCCCCCCCCC2	379791165	LECOGGCVZCIEDE-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
C/C(=C/Cl)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O	380855460	DSRQZWPRCWPXOR-MNQYACPRSA-N	242.790	4.551	0	10	BJAE	
CC(C)CCCCC[C@@H](O)c1ccoc1Cl	383491917	GEDQPDXHUFUBEH-GFCCVEGCSA-N	244.762	4.573	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@@H](C)[C@H](C)C1	383602654	ZWDGNURAPGFCJD-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccc(F)c(Cl)c1	384627608	QWKOZAKAIKWLFY-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CCCc1ccccc1C(=O)CC1CCCCC1	384685362	VLZIAXOMLYCVII-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CCCC[C@H]2C)n1	385037782	QUCHHDGPTQJKTM-QJPTWQEYSA-N	237.412	4.950	0	10	BJAE	
CN[C@H](CCC(C)C)c1ccc2sccc2c1	386244627	BIEUBZILGJAUOH-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CCCN[C@H](c1ccccc1C(C)C)[C@@H]1C[C@@H]1C	394135142	GYMSWDDGQHYHNK-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CC[C@H](C)Oc1cccc(NCC(C)(C)CC)c1	394593126	MKRNTQYAVIQFOI-ZDUSSCGKSA-N	249.398	4.712	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	395133423	SSVWDSJKPJLREC-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CC)CNc1cscc1C	395135761	IHYKGOFYGOTSBV-UHFFFAOYSA-N	225.401	4.685	0	10	BJAE	
Cc1c([C@@H](O)CCC(C)C)ccc2ccccc12	395136453	RWDBGZQEIFLOKQ-KRWDZBQOSA-N	242.362	4.618	0	10	BJAE	
COc1ccc(Cl)c2scc(C(F)F)c12	396286335	AQIYAMKOBBKREX-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1cccc2sc(C(F)(F)F)c(C)c12	396294857	BZDCVKUKJXPLGQ-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCc1c(C(F)(F)F)c(C)cc2ccsc12	396301080	JNUWUKLZQJGPLZ-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@@H](C)C(C)(C)C	399140015	ZJHGSWZACLAALW-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C[C@H]1CC=CCC1)C1CCC(C)(C)CC1	402176629	WOOLUBPUOMGOBN-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CC[C@H](O)C(C)(C)C(C)(C)C)C1CC1	405978906	BZYJPCWRXLHCDI-ZDUSSCGKSA-N	240.431	4.636	0	10	BJAE	
c1ccc(-c2cccc(N[C@H]3CC[C@H]4C[C@H]43)c2)cc1	689642743	KIMVDLGHZJPMIK-JQHSSLGASA-N	249.357	4.564	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1NCCC1=CCCC1	691097109	FLWJXJOGOKCOAV-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@@H](C)C1CCC1	692811721	LYIIQBKFKXORIT-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](O)C1CC(C)(C)CC(C)(C)C1	701067717	GWJSPKBOVPXATJ-ZDUSSCGKSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](c1cccs1)C(C)(CC)CC	701171363	OWFQQSXPTCIPTB-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1CC(C)(C)C1	701484837	DSSXPPDGYCAUHX-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
C[C@@](N)(C[C@@H]1CC2CCC1CC2)C1CCCCC1	704879259	FNACHWLDAFRZGS-UMPYDWHISA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1cccc(C)c1F	704923725	GMPRHZXAPHBAHC-OAHLLOKOSA-N	249.373	4.531	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC[C@H]2CC=CCC2)CC1	706869229	OQBPIEKBAULSQU-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CNCC[C@@H]1CC=CCC1)C1CCCCC1	706869698	QYWFRHSFDZVRDD-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
C[C@H](C[C@@H]1CC(C)(C)CC[C@H]1N)CC(C)(C)C	709075033	CZVWWGAPCQIVHR-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC(C)C)C(C)(CC)CC	709090939	QMVMXKQCWUSVGT-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC(C)NC[C@H](C[C@@H](C)CC(C)(C)C)C(C)C	709123350	KGCNWLDADHZRBX-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(C)c(OC)c1	709728087	CWCAAEOAPBMDKA-CQSZACIVSA-N	249.398	4.632	0	10	BJAE	
C[C@H](C[C@@H](N)CC1CCCCCC1)C(C)(C)C	711154931	YQLAEXKUTVYOIH-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
C1CCCC(CN[C@@H]2C[C@H]3CCCC[C@@H]32)CCC1	712377133	KKGDNKWVYHBECP-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(N)CCC(C)(C)C	713176288	UOKCGHJHIPKJAX-HNNXBMFYSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)CC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1O	713219728	XKEGZOHCRMPLNX-MJBXVCDLSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1ccccc1Cl	713314626	OIOWLXOSASVXFW-UHFFFAOYSA-N	238.758	4.595	0	10	BJAE	
C=C/C=C/CCCC(C)(C)CC(F)(F)F	713675129	QEMTVFQVIHERQI-AATRIKPKSA-N	220.278	4.878	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCC(C)(C)C[C@@H]1NCC	717536806	XBJKAZVQQTUGFS-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
COc1cccc(CCCC(C)=C(C)C)c1F	718670406	SLTNHKURRAZGFI-UHFFFAOYSA-N	236.330	4.513	0	10	BJAE	
CCCCCCC(=O)c1cscc1C(F)F	720250135	LILYDWKCPBLROO-UHFFFAOYSA-N	246.322	4.839	0	10	BJAE	
CC1(C)C[C@@H]1CC1(CNC2CC2)CCCCCC1	722844155	ORODDSCIRVETAB-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCNC[C@@H]1CCC=CCCC1	1207762793	BJZVTEBUDYCHHZ-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](NC[C@@H]1C(C)=CCC[C@H]1C)C1CCC1	1462342288	LSLVFNHRONZOFU-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC12CCCCC2)C1CC1	1875416959	AHNBRDCSOBMNKG-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
C1CCC2(CC1)CCCC[C@@H]2NCCC1CCC1	1875421117	YABRPHBZYVJSAY-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC1CCC(C=CCCNC(C)(C)C)CC1	1880414572	NGOAETJJXMBNGS-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(Cl)cc(-c2csc(C)c2)c1	1889509053	CQXFMHDUYRBAPF-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC1CCCCCC1	1901063600	MFAKEOKYDBHSAA-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCOc1ccccc1-c1csc(C)c1	1901897583	XRQLUBJSKQSONB-UHFFFAOYSA-N	232.348	4.512	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H](CC)CCC	1905431007	GGOFXHDPOMOMMV-CYBMUJFWSA-N	226.404	4.988	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H](CC)CC(C)C	1905435003	OIEIQUSIFYGODK-UONOGXRCSA-N	226.404	4.844	0	10	BJAE	
CC(C)CCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906540154	YJCSZXBNQOMQOR-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@@]1(O)CCC2(CCCCC2)C1	1915864934	OWOMBMVCMYWKMW-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC[C@@H]1CCCC12CCC2	1921606040	QRVJFBUIQOVLMS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@H]1C=CCCCC1)NCC	1925905088	ZMPFCXNXPOSIAB-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C[C@@H]2C=CCCCC2)C1	1925944589	FJPVUDAWMAAEOB-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CCC=C1CCC(C)(C)C[C@@H]1CN	1927142852	BFLUGPGRNYGSSP-CQSZACIVSA-N	237.431	4.524	0	10	BJAE	
CCCCCC[C@H](C)NCC[C@@H](C)CCC	1937266508	JGCDOYYSMUZKCB-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CC1(CCC[C@H](N)C2CCCCCCC2)CC1	1940877932	SYVOCECZAMXFHM-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CCC[C@](CN)(CCCCCC2CC2)C1	1941582278	UUOJUDKSPVXNAS-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)CCCCCC1CC1	1941595570	JBBBTSSKEMRJBY-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@@H](C)CCC(C)C	1942658238	HMRPGHSMXXMQEB-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CC[C@H]2CC[C@H]1C2	1947124882	WPFSIFYLXXEMEK-DYEKYZERSA-N	249.785	4.639	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)C[C@@H]2C=CCCC2)c1	1947569290	JSIGFMGDRJUORG-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
CCC1(C)CC(N)(C[C@H](C)C2CCCCC2)C1	1948412306	DPXUNJJVKBOXKN-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C[C@H](C)C(F)F)NCCC	1948536908	GTODNFSFOOBNPM-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCCNC[C@@](C)(CCC)[C@H]1CCC(C)(C)C1	1949516199	GBRLKXFWBIZYLF-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CC1CC2(CCC2)C1	1949855393	PRKGOAMQFOPFMA-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@@H]1C[C@H]2C[C@H]2C1	1950075885	CCWGSSPSXNHHQD-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C1(CC)CCC1	1951240229	YKAXJDOAQCRIAW-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)NCc1cccc(C2CC2)c1	1963237023	CTSXNEJGOJFDGG-QGZVFWFLSA-N	245.410	4.622	0	10	BJAE	
C1CCC(CCN[C@H]2CCCCC23CCC3)CC1	1967800717	ZFQOMIWZDKAVPA-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
C[C@H](CNc1ccc(C2(C)CC2)cc1)C(C)(C)C	1967844277	LLDLOEQJMQOYBX-CYBMUJFWSA-N	245.410	4.832	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1CCC2(CCC2)C1	1968311085	XLKWECSXQRSMHI-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1CCC2(CCC2)CC1	1968858856	HGGNBOTZCTWFOM-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC(C)CC[C@@H](N[C@H]1CCCCC12CC2)C1CC1	1972745200	RZGHHFIREFTJCG-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)CCC1CC1	1975841402	FGNVSKNQLQFSQT-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(CC)C[C@H](N)c1ccccc1Cl	1980684680	JOKMECZGDLBUKU-ZDUSSCGKSA-N	239.790	4.556	0	10	BJAE	
CCCC1(C[C@@H](O)C(C)(C)CCC)CCC1	1988457266	LEFMEJNCSJYOMR-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)Cc1csc([C@H](CC)C(C)C)n1	1995461557	MNQSDQLQSFHWQT-WCQYABFASA-N	239.428	4.881	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)C1CCC(C)CC1	1996567325	NLRRFOCBYAWOBT-AVVWSFFYSA-N	237.431	4.667	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC(C)(C)C(F)(F)CC	1996618893	YELRBQMMSOLGMM-NSHDSACASA-N	249.389	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CCCC2CC2)CC1	1997118771	ZSXWGDIQTPAEOK-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)C[C@H](C)C(C)(C)C)CC1	1997209473	XAJQESDQYNAHFW-ILXRZTDVSA-N	239.447	4.569	0	10	BJAE	
Cc1ccc(C(=O)[C@]2(C)CC=CCC2)cc1Cl	1997607175	RYIAHOQZNXSLKV-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1C=CCCC1	1998378201	SDNPQWWBJFADMX-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cc(C)ccc1C	2000211955	QSBNCULFYYNPMA-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CCCC[C@](CC)(CNCC)CC1CC(C)C1	2000505691	TXJKQMBQCFXPIC-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CCCCCC1CC1)CNC	2000514471	NVQMMMNTUZRNHT-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
O=C(c1ccsc1)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2001493963	DHFYZFHCFYHGFI-IACUBPJLSA-N	248.391	4.537	0	10	BJAE	
CC(C)CC(=O)[C@@H](C)C1CCC(C(C)C)CC1	2002925649	NENXLVQGJVIGLE-NFOMZHRRSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)C[C@H](O)[C@@H]1CCCCC12CCC2	2005600826	OQCKFJBQVKUYKT-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H](O)C[C@H](CCCCCC(C)C)C1	2006645312	OMXIIZQYTRILMT-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCc1cccc2ccn([C@H]3CCC[C@@H]3C)c12	2006720447	BMFCRLQHSMETNQ-WFASDCNBSA-N	227.351	4.565	0	10	BJAE	
CC1=C(C)[C@](O)(CCCCCC2CC2)CCC1	2006952312	FNMWVHMRANVAMC-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](Nc1ccc(CF)cc1)C1CCCCC1	2007026225	MFPDYWXFJODHSN-GFCCVEGCSA-N	235.346	4.537	0	10	BJAE	
CC1([C@H](O)C=C2CCCCC2)CCCCCC1	2007920378	HYYIETITYQJIES-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](C)(CCC1(C)CC1)CNC(C)(C)C	2009543216	DGGLWTNOUNCNEF-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCC)CCCC[C@@H]1C	2009630755	XOKJJADASFLKMG-IRJXADNDSA-N	237.431	4.539	0	10	BJAE	
CCCC1CC(N[C@@H](C)CC2CCCCC2)C1	2009714553	RJGLOSJINWLEET-JEYLPNPQSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@H](N)c2cccs2)CC1	2010729008	KTHBFTMZRRGXCL-GXTWGEPZSA-N	249.423	4.521	0	10	BJAE	
CC(C)CC[C@](C)(N)C1=CC[C@@H](C(C)C)CC1	2010739603	REWWQBNNAOZFDH-ZBFHGGJFSA-N	237.431	4.523	0	10	BJAE	
CC[C@](C)(CCC[C@H]1C[C@H]1C)CNC(C)(C)C	2011575769	FZGSOBDHEJFASM-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)c1cc2ccccc2s1	2015278308	NBLRQWQOMSGACG-YPMHNXCESA-N	248.391	4.617	0	10	BJAE	
C[C@H](CC(=O)C1(C(C)(C)C)CCC1)C1CCC1	2017131475	QHVBWTGFEMLBJS-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC(C)C)C[C@H]1CC[C@H](C)CC1	2017722346	POOJEKISJDRICX-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CC(=O)C[C@H](C)CC)CC1	2017774507	PKDNZWXMFQTMMT-WLYUNCDWSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCCC1CCC1	2018188665	OKKOOHQVTKVOIX-INIZCTEOSA-N	239.447	4.857	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)C1(CCC)CC1	2018992154	NUHJCYVKIVLOEN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](CC)C1CCC1	2019188551	FGBKLMHHEGTZLS-HOCLYGCPSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](C)N(C)[C@@H]1CCC12CCCCC2	2019256544	NHBPXOLIZKPLIK-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
CCCC1CCC(N(C)[C@@H](C)[C@@H](C)CC)CC1	2019386184	RWKJHIOTMAXGMX-FXQLRMTLSA-N	239.447	4.712	0	10	BJAE	
CCN[C@@H]1[C@H](CCC(C)(C)C)CCCC1(C)C	2020361003	LTIVGRXXEDWXCK-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(=O)CC[C@H]1C[C@H]1C1CCCCCC1	2022555548	YGMJCSCBZSCHFW-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CCC(F)(F)CC	2023319789	QOHDRTPJCGGEEF-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CCCC[C@H](CC)N(C)CCCCC(C)(F)F	2023441053	JLHJWYVDQACXRT-ZDUSSCGKSA-N	249.389	4.713	0	10	BJAE	
CC(C)CCCCC[C@@H](C)[C@H]1CC[C@@H](N)CC1	2023548069	HGDFXEIFXUYAPF-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@](C)(O)CCC2CC2)C1	2024121540	DXKUUHBZVYRRTN-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
c1sc(C[C@H]2CC23CC3)nc1C1CCCCC1	2026598506	RSEYKFASAORZLS-LBPRGKRZSA-N	247.407	4.533	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)c1c(C)cccc1C	2027820289	HBFDJPYMHSSFJG-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
O[C@]1(C[C@H]2CC=CCC2)CCCCC12CCCC2	2028873888	IAEXNRLLBQZRKD-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)CC(=O)c1cccc2c1CCCC2	2029696396	JPULYSMLHZANBK-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC(C)NC[C@]1(C2CCCCCC2)CC12CCC2	2032136831	XGOOTFXKMHHYRY-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC1(C)CCCCCC1)[C@]12CCCC[C@@H]1C2	2033410849	XYGLAZWXKKXHRG-ZMSDIMECSA-N	249.442	4.658	0	10	BJAE	
CC(C)=C(C)CCN(C)C1C[C@@H]2CCCC[C@H]2C1	2034135235	YRCUVAPPPMUXAX-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
C[C@H]1C[C@H](CC2CC3(CC3)C2)Nc2ccccc21	2036724468	MVZGUMYYTYJKIO-GXTWGEPZSA-N	241.378	4.555	0	10	BJAE	
CCCC1([C@@H](N)c2ccc(C3CC3)cc2)CCC1	2037210252	VEXRUKYQCWXUPO-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
Cc1c(N)ccc(-c2ccccc2C(C)C)c1C	2037362536	HFUWDTKLZQOYPF-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
O=C(CCC1CCCC1)[C@H]1CCC2(CCCC2)C1	2037673563	XLWGWZXRWZNGMG-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCCNC[C@@]1([C@H]2CCC(C)(C)C2)CC=CCC1	2037683177	QRWRSVFGLSIYQD-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC(C)C(c1nc2c([nH]1)[C@@H](C)CC[C@@H]2C)C(C)C	2038007091	LERKCUBMOHDPMI-RYUDHWBXSA-N	248.414	4.806	0	10	BJAE	
CC[C@@H](C)C[C@]1(CNC2CC2)CC12CCCCC2	2039006312	OLZXMDDTHIQRSM-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(NC[C@@H]2CC23CCCC3)cc1	2039090363	BEUYFYCZBMSTKO-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@H]2CCCC23CC3)CC1	2039382509	ANQVJLAPSXDKEV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)[C@H]1CCCC(C)(C)CC1	2039386563	RJUFSYVJXHSLEH-AWEZNQCLSA-N	244.378	4.784	0	10	BJAE	
CC(C)C1(CN[C@H]2CCCC3(CCC3)C2)CCC1	2041293377	OUFKVIZVEMAUKJ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC[C@@]2(C)CC=CCC2)C1	2042072229	NNQPSGWOXHCOBA-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](C1CCC(CC)CC1)[C@@H]1C=CCCC1	2043188662	VKPKIQPMXOUTIW-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CCCC1(CN[C@@H](C)CC2=CCCCC2)CCC1	2043189654	CPRXREAUEFZXBC-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C2CC3(CCC3)C2)C1	2045401034	PHDZMPYKKYALOZ-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H](c1ccccc1)C(C)C	2045674024	QUTMTJVIEJSNQO-QGZVFWFLSA-N	244.378	4.742	0	10	BJAE	
CCCC1([C@@H](C[C@H]2CC23CCCCC3)NC)CC1	2047017275	UOSMKKMVIVOFTO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2CC23CCCCC3)c1	2047054841	HIQMKRMYABGZSX-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2CC23CCCC3)CC1	2047060373	XFJIYMFVCVQHHO-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H]1[C@H]2CCCC[C@H]21	2048374435	VWTOQVGOGDJULR-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CCC3(CC3)C2)CCCCCC1	2049850761	ABMSWYNWWQULMZ-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)CC2CCC3(CC2)CC3)C1	2049851885	CLXAHZULCDWJNY-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@H](N)CCC1CCC(C)CC1	2050456315	PJLQNQXZAASFPB-PUJMQQBBSA-N	245.410	4.601	0	10	BJAE	
CCN[C@@H](CCCC=C(C)C)c1ccccc1F	2050495382	SWOUFXXINQQIDH-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
N[C@H](CCCC1CCC1)[C@H]1CCCCC12CCC2	2053411204	IPHKVJVELTZNMD-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H](C)C2CCC(C)CC2)CCC1	2055546406	OPBXAEZIFLUJKL-IWPLNJTISA-N	249.442	4.680	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2056539402	KIHHMBMDDWIAJP-WHJSIAKGSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C1=CCCCCC1)C1(C)CCC(C)CC1	2056560141	YZSGRJMRINXLHY-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC(=C2CC3(CCC(N)CC3)C2)C1	2056619955	ZCWYNDSJKGJKGK-IGEOTXOUSA-N	247.426	4.565	0	10	BJAE	
NC1CCC2(CC1)CC(CCCCCC1CC1)C2	2056620624	HYDBHNZCBHRHPH-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCC1CC(CC(=O)c2c(C)cc(C)cc2C)C1	2056671754	OPWOIEGWMJLTHZ-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CCN[C@H](CCC1CCC1)C1(C2CC2)CCCC1	2057608830	KAGOGSMUMPUWSY-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC(C)(C)C1CC1)C1=CC[C@H](C)CC1	2060930483	SQDVFWXEWOQGGF-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
CC1CC(C[C@@H](N)C2=CC[C@H](C(C)(C)C)CC2)C1	2061099219	NRYBPHVMNISOEP-FPCDFSMTSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@](C)(N)C2(C)CCC2)CC1	2061119169	MVEAWSMTAPEPIU-DYVFJYSZSA-N	249.442	4.667	0	10	BJAE	
CCC(=CC1CCC2(CC1)CC2)CNC(C)(C)C	2062825376	HCKSYHAWOBHAMK-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC23CCC(CC2)CC3)C1	2065262012	DQSOMKXMFZALKE-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)CC12CCC(CC1)CC2	2065337056	JIRGVYCTAVZMRB-RKHAHWSXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](CC2CC(C)(F)C2)Nc2ccccc21	2065816967	IWRPFJOKOGCUTF-AJAZOQAWSA-N	247.357	4.503	0	10	BJAE	
C=C=CCCNC1CCC2(CCCCCC2)CC1	2065897357	OIUQLLUULRBWRA-UHFFFAOYSA-N	247.426	4.590	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](N[C@H]2CCC3(CCCC3)C2)C1	2066627616	OMDBOVXSKKSMHZ-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(CC[C@@](C)(O)c1ccccc1)C(C)C	2068817190	LBFURZOKLUXMDK-QGZVFWFLSA-N	248.410	4.603	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)C)c1ccccc1C(C)C	2068839727	AURLJDURMUIMSZ-PBHICJAKSA-N	247.426	4.753	0	10	BJAE	
Cc1ccccc1N(C)CCC(C(C)C)C(C)C	2068996815	FSMCLQKMRNWPPK-UHFFFAOYSA-N	247.426	4.750	0	10	BJAE	
CCCC1(Cc2ccc3c(c2)CCCN3)CCC1	2069341895	JRRQZPDQIKOUQS-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
O=C(CC1CCC=CCC1)C1(CC2CCC2)CC1	2069571967	ZVOVYUQSHGIYAJ-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C[C@@H]1C[C@H]1CC	2071511519	OTCPNFWSZSKCBK-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C[C@@]2(N)CCCC[C@H]2C2CC2)CCC1	2071954778	YESYSNJAPYBBJG-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@H]2Cc3ccccc3N2)CC1	2072814115	ZEPARWAAQRFUQO-ZBCRRDGASA-N	243.394	4.630	0	10	BJAE	
CCCC1CCC(C=C(C)C2CCNCC2)CC1	2072815366	LNTQDMWDBYUORH-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@](C)(N[C@H]2CCC3(CCCC3)C2)C1	2073063390	GESBLAITUNMVSF-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@H]2C2CCC2)CCCCC1	2079441079	VWPXUEWRKJHQPT-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CCC)C1(C)CC=CC1	2079626277	HRHPKURHAJUABA-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)[C@@]12CCCC[C@@H]1CCC2	2079627660	LSZNJYBETCIFFB-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@H]2C2CCCCC2)CCCC1	2079631753	CVVJFVNUHVQSDY-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(C[C@@H]1C[C@@H]1C1CCCCCC1)C1CCC1	2079830424	AZBRSLBLWLFJSB-USXIJHARSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2C[C@@H]2C2CCCC2)CCC1	2079837987	DVBNVILMZZUEFD-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCC1)C[C@H]1C[C@@H]1C1CCCCC1	2079851552	LVMFJEBAVZRVFU-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1C[C@@H]2CC[C@H]2C1	2081779026	LKJNYBUBHRCUPD-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@](O)(CC)Cc1cccc(C)c1C	2082955212	BXGAEFIXELAJKW-KRWDZBQOSA-N	248.410	4.567	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213285222	OVYSRIOHRZKXIB-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC1([C@H](N)CCCCCCC2CC2)CCCC1	2213577004	WYOPFIQNVBWRKV-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CC[C@@H](NCCCCCCC2CC2)C1	2213582128	DWLRBSJCFHFLIF-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@]1(C)CC=C(C)CC1	2215821713	QQZLFYBDKBJNMP-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CC[C@@H](CCCCCCCC2CC2)[C@@H]1O	2216876480	XVUZEGQMMOJBOR-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC(C)CNCCCCCCCCCC1CC1	2216877151	IZOJPOMQICMOCV-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218339075	ZSWLZQDPSRGCRG-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C2C[C@H]3CCC[C@H](C2)C3)C1	2218340113	PFQDDHUPKPYRAN-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC1CC(CC(=O)C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218375305	UMVRZIVWAULHHU-VBFVWNODSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)C1C[C@H]2CC[C@@H]2C1	2218734073	AVUUMIGTDPMFAB-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H]1CC(=O)c1ccc(C(C)(C)C)cc1	2220644679	VKHJWUCFLQJGQY-JSGCOSHPSA-N	244.378	4.603	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccnc(C(C)C)c1	2220865769	NNKFICBXTONOAT-AWEZNQCLSA-N	248.414	4.832	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC=C(C)CC1	2221655670	VJFMQWFXGNJBNJ-IAGOWNOFSA-N	249.442	4.824	0	10	BJAE	
C(CCCNCC[C@H]1CC12CC2)CCCC1CC1	2223116710	IJSBXWSXGGYCIQ-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC2(C)CCCC2)C=CCC1	2223598342	UGAOPNFXBXHJPX-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)c1cccc2ccoc12	2224197650	HTZBPHHNPKXQNN-BXUZGUMPSA-N	246.350	4.539	0	10	BJAE	
C(=Cc1ccccc1)Cc1cccc2c1CCCC2	2226205818	FQXGRHZAPAVNHI-UHFFFAOYSA-N	248.369	4.821	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)c2ccsc2)C1	2242764095	UVHBMRQNNDQKAT-NEPJUHHUSA-N	236.380	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1CCC1(C)C)CC(C)(C)CC	2247305118	ZDIPIIOIEXENMI-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](N)(CC)CC[C@H]1CCCC12CC2	2247604192	AEHCEAWTGZWEBN-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)CCNCCCCC[C@H]1C[C@H]1C	2248880494	SMMNGBYFLGYYPA-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CC[C@@H]1Nc1cccc(C2CCCC2)c1	2251254949	GANCMNFQEAJPQC-LRDDRELGSA-N	229.367	4.555	0	10	BJAE	
CCCC1(CC(=O)C[C@@H]2CCCCC23CC3)CC1	2253834417	ZHNJUQXOYGLFQQ-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)CC1CC2(CCCC2)C1	2254115816	QJUWEFCHNBDRCI-HOCLYGCPSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(N)(CC1(C(C)(C)C)CCC1)C2	2254149878	IYSJTIVYPSIBSF-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(NC2CC3(CC(C)C3)C2)CC1	2254155634	UXNAVBKTYOASJY-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C1=C(CNc2ccccc2C2CCC2)CCCC1	2255097991	YKFANRRNLSZHKB-UHFFFAOYSA-N	241.378	4.866	0	10	BJAE	
CC1(C[C@@H](N)CC[C@H]2CCCC23CC3)CCCC1	2255277114	CZLRXQBLDVHVSR-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)[C@@H]1CC12CCC2	2256412922	VLCWIYYKEXUJPR-ZFWWWQNUSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CNC2(CCCC2)C1	2257361044	JZDQTQQDFJTLOU-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(C[C@@H]1CC[C@H](C)CCC1=O)C2	2259545426	UTFYEMNUKHVOEM-PHUJGXCVSA-N	248.410	4.598	0	10	BJAE	
O[C@H](CCC1=CCCCC1)[C@]12CCCC[C@@H]1CC2	2260521102	OWFKPSMZYHHNLM-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@]23CCC[C@H]2CC3)C1	2260605137	JRHCYZLIXMEJNO-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@]12CCC[C@H]1CC2	2260622986	SEGVBSFVMIMILD-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
c1cc(NC2CC3(CC3)C2)cc(C2CCCC2)c1	2260734003	SGSZRHUTBAHLBK-UHFFFAOYSA-N	241.378	4.699	0	10	BJAE	
CC[C@H](C(=O)c1cccc(CC2CC2)c1)C(C)C	2260905151	MBYKMSLDLGZRHT-INIZCTEOSA-N	244.378	4.504	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@@]12CCCC[C@@H]1CC2	2298725128	IKQIODGKHPRGJU-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@@H](C)CC1CCC1	2298849110	KSEASWPOYFZNGV-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](N)C1CCCCCCC1	2300682878	DCUIBFYMLOYQCU-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@]1(N)C[C@@H](C)CC(C)(C)C1	2300698906	COVBKTHDUJAPJS-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCC(C)=CC[C@]1(O)CCCCC[C@@H]1C(C)C	2300901490	JTRIBGUEJFLGCH-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H]1[C@H](CC=C(C)CC)CCCC1(C)C	2300903984	KIDPPXBVZNIZAY-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@H](CC)CC1CCCCCC1	2301239346	OWJZNPOJKQVACJ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@@H](C)[C@@H](C)C(C)C	2301825019	IEUTVERFCYEWIB-VGWMRTNUSA-N	241.463	4.848	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)[C@@H](C)C(C)C	2301830271	WGPVEBGUBLIBLM-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)CCCCC[C@H]1C[C@@H]1C	2301916345	BOVDUIFBLKPRJR-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC)[C@@H](C)CCCC1=CCCCC1	2302347454	QVHUSBSVBROLPF-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
C[C@H]([C@H](N)CCCC1=CCCCC1)C(C)(C)C	2302348656	FRGGVESTTZRYMP-UKRRQHHQSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H](CC(=O)CCCCC1CC1)CC(F)F	2302573582	GLIBXCLXUSLVRS-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@H]1CCC(C)(C)C1	2302688841	AQFHSNHTAXOZFY-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CC[C@@H]1C(C)(C)C	2303397142	GPXIDIVUEAIMAV-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)CC1=CCCCC1	2303444433	JUCUZOMNWNGABZ-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCCC(C)(C)CNC[C@@H]1CCC(C)=C(C)C1	2303600866	MBCKCTAKBHIHRX-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)CCC2(C)CC2)C1	2304438788	FGMUOHHYICBHFK-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CN)CCCCC12CC2	2307825228	YJKCRQNWOGACAP-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCC(C)(C)[C@H]1NC	2307899708	RHAHDFRJCLIAFL-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@H]1CCC[C@H]1C	2307901057	HJNXEUBJHCCJBK-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H]1CC[C@@H]2C[C@@H]2C1	2308132763	GERUKZZVDHKPKJ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC1CCC([C@@]2(N)C[C@@H]3CCCC[C@]3(C)C2)CC1	2308397015	IPYIMLLNWCDOGB-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@H](Nc1ccc(F)cc1)C2	2308401364	VIEVKPMVUVRYGJ-WQVCFCJDSA-N	247.357	4.597	0	10	BJAE	
CN[C@@H](CC[C@@H]1C[C@H]1C)C[C@H]1CCC=CCCC1	2311276110	PRMGNXHZWUDREM-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC1CCCC1)[C@@]12CCCC[C@@H]1CC2	2313290248	XBTFVTQYKFAWRZ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NC[C@@]12CCCC[C@@H]1CC2	2313338777	XYJANWLSJAJUDD-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)Oc1cccc2c1CCCC2	2313669487	SYEDZBFORYPGFH-ZDUSSCGKSA-N	244.378	4.523	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1ccc(C)c(CC)c1	2314713663	VTVLNXSMRMVLGJ-IAGOWNOFSA-N	248.410	4.663	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2316536584	MPKSDYNHRREGKF-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CC(=CC=C1C[C@H](C)NC[C@@H]1C)CCCC(C)C	2316537825	ULEUSFZTOAJGHP-HOTGVXAUSA-N	249.442	4.703	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1CCCC2(CC2)C1	2316879669	GMVSPUUMPBEGJT-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CC[C@H]1CC[C@@H]1C1CC1)c1cccc(N)c1	2319737685	MQDGCMATSHASLX-IGCXYCKISA-N	243.394	4.589	0	10	BJAE	
Cc1ccc(NC[C@@H]2CC[C@H]2C(C)(C)C)cc1F	2320308702	ZPHBNVAGZGLMTQ-GXTWGEPZSA-N	249.373	4.618	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)C[C@@H]2C[C@H]2CC)cc1	2320378513	WGMQIKYDHNVLGF-UTJXIGIESA-N	246.394	4.670	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](O)c1cccc(C(C)C)c1	2320588458	QLZWLGVCFPNMSU-OIISXLGYSA-N	246.394	4.670	0	10	BJAE	
CCN[C@@H](C)C[C@@H](C)c1cc(C)ccc1C(C)C	2327706834	CWLAEXZIXZDPJT-CABCVRRESA-N	247.426	4.610	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)c1ccc(C)c(C)c1	2328282020	LWSNMPFBBAAFSK-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cccc(C(C)C)c1	20556592	BTMSUTHTILSIGW-CHWSQXEVSA-N	219.372	4.657	0	10	BJAE	
CCCC(CCC)Nc1ccc(F)cc1Cl	20594833	VREMVZHUXSSCMP-UHFFFAOYSA-N	243.753	4.860	0	10	BJAE	
CCCCCC(=O)c1ccc([C@@H](C)CC)cc1	36940799	POQDJVFERDUBBO-ZDUSSCGKSA-N	232.367	4.963	0	10	BJAE	
C[C@H]1CCC[C@H](C)C1NC(C)(C)CC(C)(C)C	37100672	ZTHXZWMKCXMGIS-STQMWFEESA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](N[C@H](CC)C(C)C)c1ccccc1	37300073	BMSYFJSFIOXZLO-HZPDHXFCSA-N	233.399	4.552	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1ccc2c(c1)CCC2	37360224	BVIPOAYOEXFANA-CYBMUJFWSA-N	244.378	4.574	0	10	BJAE	
CCN[C@H](C)c1oc2ccc(C(C)C)cc2c1C	40996176	FMNOONGYZSYART-GFCCVEGCSA-N	245.366	4.535	0	10	BJAE	
CCCCC[C@@H](C)NCCC1CCC(C)CC1	70538544	OFGDQGHJAQBXOW-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)N(Cc1ccccc1)C1CCCCC1	82093621	SOVLOJJTIJQDNV-UHFFFAOYSA-N	245.410	4.620	0	10	BJAE	
Cc1ccc([C@@H](O)C2CCCCCCC2)c(C)c1	86581039	KDPQZJAVJXSOHM-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
Clc1cccc(-c2cccc3ccccc23)n1	88674284	ZQJWGMYNSUESLK-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CC1(C)CCCC[C@H]1NCCC1CCCCC1	94278294	FRLHWQWQGNWXCZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](O)c1ccc(C2CCCCC2)cc1	109788647	ZEWAULRQOPUZFB-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
CCCC[C@@H](CC)CNc1cccc(F)c1C	110167303	WHVRUWXRPCHILD-CYBMUJFWSA-N	237.362	4.762	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](C)c1cc(C)ccc1C	111666361	ABZPSHOIVQBUBL-HUUCEWRRSA-N	247.426	4.779	0	10	BJAE	
CCCC1CCC(N[C@@H](C)C2CCCC2)CC1	112392361	SGBMUSSADYSWFS-HLIUYOAVSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H](N)CC1CCC(C(C)(C)C)CC1	130069326	SUAHCAQDAKFDFH-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CCc1cccc([C@@H](O)C[C@H](C)CC(C)(C)C)c1	132898203	IPJBCMREJWCDLJ-BBRMVZONSA-N	248.410	4.745	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1sccc1Cl	132925123	JNTLANKSSCOSSM-LLVKDONJSA-N	245.819	4.618	0	10	BJAE	
CCN[C@H](CCC(C)C)CCC1CCCCC1	158734085	IXAIQZDOQWUTEA-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)CC1CCCC1	161412442	IPEKZZWXZIQWJR-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCCC[C@@H](CCCc1ccccc1)NCC	163229657	JAPHXXHVPULZDV-KRWDZBQOSA-N	247.426	4.568	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@@H]1CCC[C@H](C)C1	169001410	RGRSGRNFFIKDJI-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@@H]2CC=CCC2)CC1	226508232	VLDABCXIRHKXBM-BZUAXINKSA-N	249.442	4.680	0	10	BJAE	
CCC(CC)[C@H](NC)c1cc2ccccc2s1	228694331	VWCDYDIRAKKUOH-HNNXBMFYSA-N	247.407	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1c1cccc2c1NCCC2	234061220	BWHQFBIDUOJAIN-DZGCQCFKSA-N	243.394	4.729	0	10	BJAE	
Clc1cccc2c1NC[C@@H]2CCC1CCCC1	236068804	UFQIOONFAGDALR-LBPRGKRZSA-N	249.785	4.820	0	10	BJAE	
CCCCC[C@@H]1C[C@H](CCC)CC[C@H]1CNC	250801471	CVOXTUCMSSLALJ-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCC[C@H]1CNC(C)C	251386562	XAWFVCFNXFQDMR-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)c(C)c(C2(C#N)CCCCC2)c1	260752039	XFIFOFYKOTWGDQ-UHFFFAOYSA-N	247.769	4.682	0	10	BJAE	
CCCC1CCC(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1	302430065	SBZAYGBNEIXOKB-NQBOGQKCSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)CCC(C)(C)C)C1	305990061	FAJILRDLUBCNCA-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CCc1ccc(N[C@H](C)c2cccs2)cc1C	306004842	LKAVQNPQPULVQI-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CCC[C@@H](CNCC(C)C)C[C@@H](C)CC(C)C	306017192	XREVUYURKKNRGM-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1CCCCC[C@H]1C	306054061	QIJCRWHRQKGQAV-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)c1ccc(Cl)s1	306982539	JKKGFGMPKJWIDJ-UHFFFAOYSA-N	244.787	4.657	0	10	BJAE	
CCc1ccc([C@H](NC)[C@H](CC)CC(C)C)cc1	308087380	YETJGONIENBZAN-NVXWUHKLSA-N	247.426	4.582	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)[C@H]1CCC[C@@H](CC)C1	308105264	VAUQOSNZEVKCTH-UGUYLWEFSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1ccsc1Cl	308364104	KZIXOMJHEDJXAZ-MWLCHTKSSA-N	246.803	4.507	0	10	BJAE	
CC(C)CNC[C@@H](C[C@@H](C)CC(C)C)C(C)C	309991846	CSAVRNQXZMTGIK-JKSUJKDBSA-N	241.463	4.577	0	10	BJAE	
C[C@H](CCC1CCCCC1)C[C@@H]1CCCCN1	310250597	NXMDWSBBIPJIRQ-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCCCC12CCCC2	310254031	KVVDBJCGMZYLKW-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)[C@H](CC1CCC(C)CC1)NCC	310523995	OGZPPUSSQHJKPO-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@H]1Cc2ccccc2N1)C1CCCCC1	311196889	GBSIEEDWNAWKMQ-XJKSGUPXSA-N	243.394	4.630	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2	314709400	SPKBYKCBRWUJJB-JUFZMCDQSA-N	249.785	4.577	0	10	BJAE	
CCCCC1(CNCCC)CCC(CC)CC1	318821743	VLMBGHVROMDBLV-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](CNCC(C)C)C(C)(C)C	319410297	NKFPEXGVLBHTML-ZNMIVQPWSA-N	241.463	4.577	0	10	BJAE	
CC[C@H](N[C@@H](c1ccccc1)C(C)C)C1CCC1	322482813	USWNRPMJOYQGIT-DLBZAZTESA-N	245.410	4.552	0	10	BJAE	
CCCC1(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)CCCC1	382298949	OZWLCHAVYULWSO-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C=CCCCCC1	383095950	AFZYYYWSTJNRBG-JKSUJKDBSA-N	237.431	4.824	0	10	BJAE	
CC(C)C(C(=O)C[C@@H]1CCC[C@H](C)C1)C(C)C	383545489	VQQKZYCWLBYUGM-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@H](C)c2ccccc2)C1	384286358	CVJZNZQSIMMLOV-UXLLHSPISA-N	246.394	4.512	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2ccc(F)c(C)c2)CC1	385690713	DPXDQBLGTLSPBU-JOCQHMNTSA-N	248.341	4.533	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@H]1CC1(C)C	394061998	ANSXUABQKCYJMF-HZPDHXFCSA-N	245.410	4.507	0	10	BJAE	
CC(C)Cc1cccc([C@](C)(O)CC(C)(C)C)c1	394973641	BGHDJOXOXPENLB-QGZVFWFLSA-N	248.410	4.529	0	10	BJAE	
C1CCCC(=C2CCC[C@@H]2[C@H]2CCCCN2)CC1	395087599	SMUWAALQQDTQHU-DLBZAZTESA-N	247.426	4.579	0	10	BJAE	
CCc1sc2cccc(CC)c2c1SC	396170797	PFSQEMDAEUTBLL-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
COc1ccc2sc(Cl)cc2c1C(F)F	396291940	SVWWCVCMZQVNBX-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1C)[C@@H]1CC1(C)C	397594648	KYYMELOREZNVKK-KBPBESRZSA-N	231.383	4.540	0	10	BJAE	
C[C@H](CC(=O)C[C@@H](C)C1CCC1)CC(C)(C)C	398865063	XHORFHMLNQZGBQ-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC(C)Cc1cccc(CC2=CCCC2)c1	401053542	BYXYTSQGSONPET-UHFFFAOYSA-N	214.352	4.538	0	10	BJAE	
C1=C(CC[C@H]2CCCc3ccccc32)CCC1	401131215	WUSPYDBQQHKKHJ-MRXNPFEDSA-N	226.363	4.997	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CCC(C)(C)C1CC1	405962149	NQHWIAMYUNJPLV-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@H]1CCCC1CCC1	688375666	VBLIPLZBUPEJTQ-BBRMVZONSA-N	243.394	4.630	0	10	BJAE	
CCN[C@H](CC(C)C)c1cccc(C(C)C)c1	688920095	IKBYTDUARIOKJJ-MRXNPFEDSA-N	233.399	4.507	0	10	BJAE	
C[C@H](CC1CCCCC1)NCCC1CCCC1	689750727	AFDWDGAYOLSYDC-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)CC1CCCC1	689783759	PAOGMEJZUUUNCB-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N[C@@H](C)c2ccoc2)cc(C)c1Cl	690265495	ZJLNJLTYZOQHKD-NSHDSACASA-N	249.741	4.723	0	10	BJAE	
CCCCC[C@@H](N)c1cc2cscc2s1	694333423	PQZUOOJKBCFPSI-SNVBAGLBSA-N	239.409	4.543	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CCC(C)(C)CC	696804994	DCQOIUQWEQMGMG-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CCC[C@@H](C)C1	697256586	BJBMKIJDAVIGEI-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCNC[C@]1(CCC=C(C)C)CC[C@@H](CC)C1	698032099	JFPAYTGNEVOWIU-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	699048061	APMCBWJPIQNQPK-WOSRLPQWSA-N	238.415	4.700	0	10	BJAE	
Cc1c(Cl)cccc1O[C@H](C)c1ccccc1	702649172	SPNIPNRITMZLQX-GFCCVEGCSA-N	246.737	4.788	0	10	BJAE	
CCCNC[C@@]1(CCCCCC(C)C)C[C@H]1C	703331095	LOCYRBNEIJLWDJ-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)c1coc2ccccc12	704567219	IBPGXCNGIXRXOI-NHYWBVRUSA-N	246.350	4.539	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C(CC)CC	704941546	NZMOTFUYXBSLPG-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H]1CCCC[C@H]1C	704961838	BFEGSKWDGWSYSI-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@@H](C)CC(C)C	708312546	IJQMJEBKUIFIPJ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1csc([C@@H](N)C[C@@H](C)CC(C)(C)C)c1	709092805	ZXXIEFNNTJKRJE-PWSUYJOCSA-N	239.428	4.519	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1CC2CCC1CC2	709481714	FVMDZTGYBOVDSO-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(=O)[C@@H]1CCCC[C@H]1C)C(C)(C)C	711093057	IGEMMIYYOULMOD-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](CC(=O)C[C@H](C)C1CCC1)C(C)(C)C	711114011	MAZVLEADNCKZOQ-GXTWGEPZSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C(C)C)c1ccccc1	713143887	YODJONSNZMMMSJ-INIZCTEOSA-N	247.426	4.800	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	713216877	HVLKPENGOFTSCD-DVOMOZLQSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C[C@@H]1CCC(C)(C)CC1=O)c1ccccc1	717439368	PGOGESRXPGIKLM-ZFWWWQNUSA-N	244.378	4.576	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CCCC[C@@H]1C(C)C	718521662	WKEOQQSJZLMCRV-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CSc1ccccc1[C@H](N)CCC(C)=C(C)C	718598987	DALZHMMJJDXLTJ-CQSZACIVSA-N	249.423	4.545	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CCC(C)=C(C)C)C1	718697850	FDZRSOQYIWAGLA-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CO)CCC=CCCC1	718987717	HGAMBAJWYACQMO-MRXNPFEDSA-N	238.415	4.702	0	10	BJAE	
Cc1ccc(S[C@H](C)CC(C)C)s1	1166352789	GTTDETRLZUVHKC-SNVBAGLBSA-N	214.399	4.583	0	10	BJAE	
CCCC1CCC(CN[C@@H]2CCCC23CC3)CC1	1203332495	UVOCKFPWZXDMAZ-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
Fc1cccc(-c2ccccc2-c2ccccc2)n1	1239505217	WMHFRKACLCRHMX-UHFFFAOYSA-N	249.288	4.555	0	10	BJAE	
C[C@H]1CCCC[C@@H]1COc1ccc(Cl)cc1	1613673610	DINYHORSHUFVAD-NWDGAFQWSA-N	238.758	4.545	0	10	BJAE	
F[C@H](c1cc(Cl)cc(Cl)c1)C(F)(F)F	1615891509	VNPATHUDLMVZIG-SSDOTTSWSA-N	247.018	4.566	0	10	BJAE	
CC[C@@H](C)CSCc1ccc(F)c(Cl)c1	1651869965	COMWXHOWSLNINN-SECBINFHSA-N	246.778	4.758	0	10	BJAE	
Cc1sccc1-c1cc(F)cc(Cl)c1	1889536626	XFWNALZQXXCBBL-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
CCC(CC)CC[C@@H](CC)CNC(C)(C)C	1900714448	VXJOYSFJSKOTAC-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)C(C)(C)C(C)(C)C	1901700918	IFJMIQUTWVPVAA-RYUDHWBXSA-N	226.404	4.556	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)[C@H](C)CC(C)(C)C	1901720068	IVCOTHUXOJPVAM-FRRDWIJNSA-N	226.404	4.556	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)CCC1CCCC1	1905445954	SJDJJBRZCBJHQQ-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](O)CC1CCCCCC1	1910696070	KZVQBYUYCGAOJU-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@@H](C[C@H](C)CC(C)(C)C)NC	1911798859	NGVFJPXBNKTOSC-GJZGRUSLSA-N	237.431	4.559	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H](C)CC(C)(C)C	1911875410	RUCCNTVTUJFLOM-CABCVRRESA-N	237.431	4.559	0	10	BJAE	
CCCC1(C=C(CC)CNCC(C)C)CCC1	1911939948	ZQXGIPXUPGOVHJ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CC(CN[C@@H]2CCC3(CCCCC3)C2)C1	1915866297	QYGKSAWDQTUDAA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
O[C@]1(C[C@H]2C=CCCC2)CCC2(CCCCC2)C1	1915892951	PBPVNKMXPPUUBX-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@]1(CNCC(C)C)C=CCC1	1916378958	IKPYETRFQFEVOM-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC[C@](O)(CC(C)(C)C(C)C)c1ccc(C)cc1	1919885834	MEHAQJYBOPNUGQ-KRWDZBQOSA-N	248.410	4.665	0	10	BJAE	
CC(C)=CCC[C@@](O)(CC(C)C)c1ccccc1	1920034249	VQXZMKTYPBYRDY-QGZVFWFLSA-N	246.394	4.667	0	10	BJAE	
CCCCCC[C@@](C)(N)CC(CC)CC	1920202003	JQRFMEYPLZUNDZ-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
FC1(F)CC[C@H](CC[C@@H]2C=CCCCC2)C1	1925817780	UIJSGQCNLWXHBH-OLZOCXBDSA-N	228.326	4.948	0	10	BJAE	
CCC[C@@H](NCCC(CC)CC)[C@H]1CC1(C)C	1926181387	ASFUOTOEYYPWHH-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(OCC2(C)CCCCC2)c1	1940383726	UTFNMXICHPLBEH-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@H]1CC[C@@H]2C[C@H]12	1940629902	HXBVRFQQZHMZLN-DSJMHWKBSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CNCCC[C@@H]1CC1(C)C	1940878732	WYPBWJHWWYKRHY-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC1(C)C)C[C@H](C)CC	1940880879	KANFTDBUYTXUGL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CCC1CCCC1)NC	1941263269	NYRZAPNFBVCDQJ-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CCCC1CC1)CC1CCCCC1	1941584343	NZBLCHZULMRSJH-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)C(C)(C)C	1941590914	GNOYVBRCGWVFFX-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C(C)C)[C@H](N)CCCCCC1CC1	1941591417	KYNJDNOFWLUPNA-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CCCCCC(=O)C[C@H]1[C@H]2CC[C@@H](C2)C1(C)C	1942048044	JWLOOTAWDWAHON-YDHLFZDLSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CCC12CCCCC2	1942657140	FFDQQNUVOPYFNO-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)C(C(C)C)C(C)C	1942802880	HNNYWVBQJYPYPG-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)c1csc2ccccc12	1944661271	QUBSXLIAHCPHBA-AWEZNQCLSA-N	247.407	4.583	0	10	BJAE	
CCCC[C@@H](CC)[C@H](C[C@@H]1CCC[C@H]1C)NC	1944846063	MGIQXXMTGFGJPC-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(N)([C@H]2CCC2(C)C)CC1	1945759431	VJZXXYGWCOBEMK-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(NCC(C)(C)C2CCCC2)cc1	1946171970	ONHLHHHMMJCZJB-UHFFFAOYSA-N	231.383	4.623	0	10	BJAE	
CCC(C)(C)C[C@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948596969	USJSYJOBTITING-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCC(C)=C(C)C)CC(C)C	1948842329	ORIXBDFMJQQGDF-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)[C@@H]1CCC(C)(C)C1	1949515663	BYDCUFGKTIMJMV-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cccc(C(F)F)c1	1950094154	GAORHYGGNWIXOD-GFCCVEGCSA-N	239.309	4.615	0	10	BJAE	
CCN[C@H](C)c1ccc(C2=CC[C@H](C)CC2)s1	1950561195	STYODZDCFVEXJG-NWDGAFQWSA-N	249.423	4.622	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)CC2CCCCC2)CC1	1950912613	ZEUURWJOLBFFKP-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCc1cccc(N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)c1	1968340288	VXAUNLUXTWPVJZ-VMUDFCTBSA-N	245.410	4.732	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@H]2CCCCC23CC3)C1	1972741594	FDLBZIZXBCPXIQ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCCC1(NCC2CC3(C2)CC(C)(C)C3)CC1	1973254415	FJKAAYYFDBAURG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CCCCCC1CC1	1976003769	QKLZBQNWSHHIIZ-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@](C)(CN)CCC1CCCCC1	1978628312	UFDOGNPLFPCVKL-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CCC[C@H](C)CNC1CCCCCCCC1	1980318201	XCNZWUMBRFPQGI-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@@H](C)CC(C)C	1988780170	HQOBRBRYNDOHSG-LSDHHAIUSA-N	225.420	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CC2(C)C)CC1	1997112907	ACALCEDFXDVCIF-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCSc1ccccc1NC[C@H]1[C@@H](C)[C@H]1C	1998556855	RCTMPYLLYKPIJK-CLLJXQQHSA-N	249.423	4.503	0	10	BJAE	
Cc1ccc(O[C@H]2CCCC(C)(C)C2)c(C)c1	2000107975	WBKKREOADFVBLE-AWEZNQCLSA-N	232.367	4.651	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1C(C)=CCC[C@@H]1C	2000385251	PHDFSGYNRWDCNY-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CCCC1(C)CC1)CNC1CC1	2000499503	LIHVSNSPPOZZHP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC=CCN[C@@H](C)C1CCC(CC)CC1	2002924714	KGHJPUFIKRGARF-FHERZECASA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C1(C)CCCCCCC1	2004920326	IZMJFNACGLMAAA-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@@H]1CCCCC12CC2	2005602276	WYDAQXVQKAIRQJ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC1=C[C@H](NC2CCCCCCCC2)CCC1	2006923905	XGPXEGGYYJJQTB-MRXNPFEDSA-N	235.415	4.578	0	10	BJAE	
Clc1ccccc1NCC1CC(C2CCC2)C1	2007809813	GPDMPEWZYADQFE-UHFFFAOYSA-N	249.785	4.578	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(O)CC(CC)(CC)C1	2009300146	VEQYTBHRVBTEDL-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1cccc2ccsc12	2009620171	SCFSDTRHCMRSHN-BAABZTOOSA-N	245.391	4.648	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCCCCC12CC2	2011271467	KCTMSFYVNUEPLD-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H]1CC(=O)CC2(CCC2)C1	2012084770	RGRNXDQZAZMXSS-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)C(C(C)C)C(C)C	2015273979	IFSOSYMZQIVOIX-CABCVRRESA-N	241.463	4.575	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](O)c1cccc2ccsc12	2015277506	HMMAAZFAKXTEHO-SMDDNHRTSA-N	248.391	4.617	0	10	BJAE	
CC(C)C(CC[C@@H](N)C1CCCCC1)C(C)C	2015355828	CLNHZWGRWHAGHW-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H](C)CC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	2015380774	WDCOHHDLXSNQKG-HZSPNIEDSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCCC[C@@H]2C)CCC1	2015585043	WRMZMZUNTZTALD-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCC[C@@H](C)C2)CCC1	2015598290	SJUBUQKSKMNOHF-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](C)CCC=C(C)C	2016150687	XFAJQFYFOOBOJE-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCN[C@H](CC1(C(C)(C)C)CCC1)C(C)(C)C	2017138618	LUKMEENNYMDMAX-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1(C[C@]2(C)CCCCCN2)CCC1	2017139229	SIOYRCDOCKVFCB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(O)CCC2(C)C)CC1	2017650599	IWPDOIUVDITAQD-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CCC[C@H]1CC1(C)C	2017789014	XKARCVTXYVUOAY-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CCC1(C[C@H]2C[C@@H](C)c3ccccc3N2)CC1	2019002711	UQIHTMRMGQLPLB-CHWSQXEVSA-N	229.367	4.555	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)C1CCC1)C(C)(C)C	2019848562	FDXVPAXATUBKNZ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](CCCCCC2CC2)C1=O	2020393861	WFDOZGXYLRUELW-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC=C(CC)[C@@H]1CCCC(C)(C)[C@@H]1NCCC	2020978749	WOCYXGDHXLDXQH-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1C[C@@H]1C1CCCC1	2022414708	MGYMNIPTDCAVKY-CABCVRRESA-N	234.383	4.518	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CCCCC(C)(F)F	2023434710	QPKGUOUAJVNJDE-ZDUSSCGKSA-N	249.389	4.568	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](C)CCC(C)C	2023448589	QHWZHAMMAPBQAZ-LBPRGKRZSA-N	237.362	4.625	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C=C1CCC1)NCC	2026075830	ZKEGHMPKPBVNCG-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)C1CCCCCC1	2026167930	WBZYUCSAZGDUAK-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@H]1C[C@H]1CCC	2026170681	RMEAJYPLOKEQOG-FZKCQIBNSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)[C@@H]1CCC12CCCCC2	2027006269	LOUHTHMJRDJGQF-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2[C@@H](C)[C@@H](C)CC[C@H]2C)c1	2027793712	ORQBPDOISJGQKZ-PWXKEOIMSA-N	245.410	4.786	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@H]1CCCC2(CC2)C1	2027856055	UUQBUZRJAAKEDM-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1c(C)cc(C)cc1C	2028235825	TXEVQEISYLTDDG-WBVHZDCISA-N	248.410	4.718	0	10	BJAE	
CC(C)C[C@H](c1nc2c([nH]1)[C@H](C)CCC2)C(C)C	2028266438	VPORLBKZVRPHDC-OLZOCXBDSA-N	248.414	4.635	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@@H]2CCC[C@H]21	2028787350	RJLWKERNZDGBEC-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1(CC(=O)[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)CCCC1	2029600620	NQVPTSCVEGGSJD-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1ccc(C2CC2)cc1	2029835217	DOMLQEBZOQGNRW-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CC1CCC(CN[C@]23CCCC[C@H]2CCC3)CC1	2031797114	BBOCXMJQTDHLMH-GQGLESIBSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)CC2C[C@H](C)C[C@@H](C)C2)cc1	2031819758	VNZACILWQPAWPJ-ZIAGYGMSSA-N	244.378	4.640	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CC=CCC1)C1CCCCC1	2032301845	RQCUELTTZQSYJG-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCCCC23CCC3)[C@H]1C	2035885081	DTEYGQNDGLOZEI-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(C2=CCCCCC2)CC1	2037094990	XEHLSWDUAAZIGL-RDJZCZTQSA-N	249.442	4.955	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C2CC3(CCC3)C2)CC1	2037136441	ZZUKYACMQFKNOL-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC1CC(CNC(C)C)(C[C@@H]2C=CCCCC2)C1	2038871574	BVSCLYHTZPOPST-AQFXKWCLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](N[C@H]1CCCC2(CC2)C1)C1(C)CCCCC1	2039861779	ILLYMHUXVBWVPF-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CC1CC([C@H](C)N[C@@H]2CCC3(CCCCC3)C2)C1	2043552793	HMQRSJPKIIKZAZ-BHDPWAOGSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)C[C@@H]1CCC=CCCC1	2045317650	NPZLKBAYAQBBRM-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2CCCC23CCC3)C1	2045449345	AVCTZSPBSYSIJX-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)C1(CCC)CCC1	2045814428	ZMVCAJUDHSYQAG-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)c(C)c1	2046486175	MFDDDMOBCZOZMF-ZSHCYNCHSA-N	243.394	4.602	0	10	BJAE	
CCN(c1cccc(C)c1)C1C[C@H](C)C[C@@H](C)C1	2046567440	DNJOTBCPPXBLLN-HUUCEWRRSA-N	245.410	4.646	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CCCC2)C1(C)CCC1	2047009853	RYKYRFWDSLNRRH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2C[C@H]1CC12CCCC2	2047020294	OQGRVDQRXIHXHN-KGLIPLIRSA-N	241.378	4.556	0	10	BJAE	
CC(C)C1CC([C@H]2C[C@H](C)Nc3ccccc32)C1	2048634860	SZHQCSZXDXONRP-WLIAPVHPSA-N	243.394	4.657	0	10	BJAE	
CC(C)C(=C[C@H]1CCCC(C)(C)C1)CNC1CC1	2049515779	UACHNNZUBHETJU-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)[C@@H]1CCN[C@@H]1c1ccccc1	2052166451	BGIIOVREJVZLPF-DLBZAZTESA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](NC[C@H]1CCCCC12CC2)C1CCCC1	2053435836	HHAAHIRNXDCOGO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CCCC[C@H]1F	2055157544	AGLGTGBHVNQBMH-UKRRQHHQSA-N	249.373	4.677	0	10	BJAE	
CC(C)C1CC(C[C@]2(N)CCCC3(CCC3)C2)C1	2056643237	QUVIAEUWMORXTO-VMBOVVBDSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CC(C)(C)C1CC1	2056879710	VVRUNNCVXXXKTC-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc(NC[C@H](F)C2CCCC2)cc1	2058030418	OKLVDWLYZWIWJH-INIZCTEOSA-N	249.373	4.579	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@@H]1CCCC2(CC2)C1	2059173419	RFWBPPHUOTXZOZ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](N)CC[C@]23CCC[C@H]2C3)CC1	2061574470	HXXDTDCSFMPZBM-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC[C@]12CCC[C@@H]1C2)C1CCCCCCC1	2061574766	KZZIFGYPOQIBNJ-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
Cc1ccccc1C(=O)CCC[C@@]12CCC[C@H]1C2	2061595988	JPEDUGKEONMOPU-WMLDXEAASA-N	242.362	4.538	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCCCCC23CC3)C1	2062019441	VZSFKHPWDBFXES-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CC12CCC(CC1)C2	2065328024	OXNKVVULUVDAMU-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)CC1=CCCCC1	2070408430	OTUXRIUJQCXKNN-CVEARBPZSA-N	249.442	4.990	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@H]2CC23CCCC3)CCC1	2071924950	YOENFYQSVWCKOP-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@H](N)CC2(C(C)C)CCC2)c(C)c1	2071951210	XKQVKVPRMCPVOF-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@@H]3CCC[C@H]32)CC1	2072872120	XSPZMXFOMFNNMF-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](C[C@]12CCCC[C@H]1C2)C1CCCCCCC1	2074091220	OKIOWARBNRXSAU-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@]2(CNCC)CCC23CCC3)CC1	2074629278	NKQDKULYDPUROT-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC[C@@]2(CCN2CCC2CCCCC2)C1	2074886824	XLDTWHLHOAZTBZ-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(C)cc(CN(C)[C@@H](C)CC(C)(C)C)c1	2074923319	WLATYWKEHKNDOD-HNNXBMFYSA-N	247.426	4.560	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@H]2CCC3(CC3)C2)CC1	2078342140	GAIFZXLEQBRXME-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@H]1C[C@H]1C1CCC1)C1CCCCCCC1	2079330587	ZAGMTYCNCMHPMS-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@@H]1C[C@H]1CCC	2079441524	GAQYHTGIEHXQNM-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2C[C@H]2C2CCCCC2)CC1	2079860118	CSWWIWDGNRLMBW-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1[C@@H](C)NC1CCCCCC1	2081217238	IONGSVWBPACCKO-CQSZACIVSA-N	245.410	4.622	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC1C2(CCC2)C12CCC2	2083563656	FMIWNTYLTAPGBZ-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
Cc1csc(C)c1CC=Cc1ccccc1	2210661982	IAQXZRGSWQIJLA-UHFFFAOYSA-N	228.360	4.621	0	10	BJAE	
CCCCC1(CN[C@H](C)CC)CCCCC1	2212584736	BNJNOEOFQWSTIE-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)CC(C)(C)CC	2212591111	ZEHAVFMGLHRWFP-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](CN[C@H](C)CC)CC(C)C	2212596693	KGKHFHFJSZUMOF-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CCC)NC1CC(CC2CC2)C1	2213386703	KKIJZXPWALPCHT-PCKAHOCUSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCC1(N)CC(CC2CC2)C1	2213391203	XSQLAVMZQMTRJK-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)C)CC=C(C)CC1	2215839862	YCNMWZWDGDSRSY-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC1(C)C[C@@H]1[C@H](N)CCCCCCCC1CC1	2216878401	UTWSQVQIJZGFDZ-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@]1(O)CCCCCCCC1CC1	2216878512	CXXVLWUNJOVIPM-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1CC[C@](N)(CCCCCCCC2CC2)C1	2216883631	MMHSZYRTELDUIW-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(COc2cc(C)cc(Cl)c2)cc1	2217042742	ILKRXKHETDOERN-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCCCCC[C@H](CNC1CCC1)C1CCC1	2217126226	AEHUPICSBVUMKN-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CN[C@@H](C)CC)C1CCCCC1	2217154200	RNMBAKSFCWVGFC-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218351717	QUVMKCZFWQLXLT-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218360507	CTLROLVIEFFMSG-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CCC1CC1)CC1C[C@H]2CCC[C@H](C1)C2	2218362084	SXEDXQOANLUQSS-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCNC1CC[C@@H]2C[C@H]2CC1	2218728410	YYBSMIRBEBMKNS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
c1cn(CCCCC2CC2)c(C2CCCCC2)n1	2220047610	SIEMWXAUWDGFRI-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
C[C@@H]1C[C@@H](CCC2CC(F)C2)c2ccccc2N1	2220653973	NXBDWVJCHDRFNG-NELGMTEASA-N	247.357	4.503	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CC2(C)CC(C)(C)C2)c1	2221028632	RQHDIZOWYSAZNY-OAHLLOKOSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@@H](C1CC(C)C1)[C@@]1(C)CC=C(C)CC1	2221613494	DJZUFQCTJJKDDD-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H](C)C1CCC1)[C@]1(C)CC=C(C)CC1	2221616831	VZSDCIOOUAZTMA-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@@]1(C)CC=C(C)CC1	2221618083	FRTZLMXGNUHHJR-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](NCC(C)(C)C2CCCCC2)CC1	2221666663	YTMFYASYRQTXCB-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CN[C@H](C)CC)CC2(C1)CC21CCC1	2223600806	MVMYBMOEKMUKLR-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1ccc(C2CCC2)cc1	2223687520	GGBZAJNGNQTKLF-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@H](C)c1ccc(C)cc1	2223962871	AXPHFVDYYJQDAA-ZMSDIMECSA-N	247.426	4.513	0	10	BJAE	
CC(C)(C)C[C@H](O)CC[C@@H]1CCCCC12CC2	2246608485	ZOFGDABDYUNOEK-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@](C)(N)CC[C@@H]1CCCCC12CC2	2246619927	IHCMDAPZCCAIBC-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CC[C@H]1CCC[C@H](C)C1	2246658916	DSRHLNPQJLPNOT-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H](O)CC[C@@H]1CCC[C@H](C)C1	2246683883	IQFUVLLGZZSUOU-CWRNSKLLSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)C[C@H]1CCC1(C)C	2247415720	GYDGFQHDBAYBNM-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(N)(CC2=CCCCC2)C1	2247493902	BTEIWNDBJKYQSH-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC2=CCCCC2)CC1	2247527084	FQIPLWWQIQYGGC-MRXNPFEDSA-N	232.367	4.583	0	10	BJAE	
CCC(C)(C)CCNCCCCC[C@@H]1C[C@H]1C	2248868431	BEOUULRZGVATLT-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CC1CCC2(CC1)CC2	2250356073	OTCHFQNQNZSNCJ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCN(CC[C@H](C)CCCC(C)C)CC(C)C	2250467946	XXSFHMSBYCXWIG-MRXNPFEDSA-N	241.463	4.817	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)C1CC=CC1	2250470040	VSYAQZMYEMXSHI-CQSZACIVSA-N	236.399	4.764	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@@]12CCCC[C@@H]1CC2	2251153616	KWMNYYQAEMBWTM-CJNGLKHVSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)[C@H]2CCC3(CC3)C2)C1	2253922676	PLOZIMQSCMASKP-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)C[C@H]1CCC12CCC2	2255024404	LIXGLNKKQRLSBF-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CN(CC1=CCCCC1)[C@@H]1CCC2(CCCC2)C1	2255202722	ILZGWTQMALCFRC-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)c1ccccc1CC	2259450756	AOENVULXHXYPEJ-RDJZCZTQSA-N	247.426	4.726	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@]12CCC[C@@H]1CC2	2260602641	KTRGZCQVYCXYGL-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](C)[C@](O)(c1ccccc1)C1CCCC1	2263750690	RXBXIYVKWJYSKB-PBHICJAKSA-N	246.394	4.501	0	10	BJAE	
C(=C/c1ccccc1)\Cc1cccc(CC2CC2)c1	2273756602	SJXRYTAKLZRWEZ-XBXARRHUSA-N	248.369	4.895	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@H](C)CC1CCC1	2298850598	IPEBUUBITOYDNC-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@H](O)C1(C)CCCCCCC1	2300875987	ATHJDTSEVVACTE-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CC(=CCC(=O)CCC(F)F)CCCC(C)C	2300877675	TVUQIMGBXNTEPX-UHFFFAOYSA-N	246.341	4.764	0	10	BJAE	
CC[C@@H]1CC[C@@]1(O)CC=C(C)CCCC(C)C	2300908170	AHHRREJJQKBYIN-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC=C(C)CC)[C@H]1CC	2300927550	WLLSEPTVKTZWPY-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@H](N)CCC1CC1)CCCC(C)C	2300927738	XZVWEFCTPVQYPL-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1ccc2sccc2c1	2301961210	IUGPHKSZJFGYCG-NEPJUHHUSA-N	247.407	4.994	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)CCCCC1CC1	2302574674	PGAOWIFEEQTZEK-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCCC1(CC(=O)CCC[C@@H]2C[C@H]2C)CCC1	2302607852	CWZQQWLWPMXOOE-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CCC[C@H]1C[C@H]1C	2302608172	HRBJXHQYFLTUDJ-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](N)(C[C@H]1CCC(C)(C)C1)C1CCCC1	2302692656	YYHIWSXMXWWXAI-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC1(C(=O)C[C@@H]2CCC(C)(C)C2)CCCC1	2302878688	RHZSLJWHOWYSNB-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1CC[C@H]1C(C)(C)C)NC	2303490718	SNKYAYNEGFMVHT-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@@H](CCC(=O)C2CCCC2)CC1	2303522112	KOYJJQAEYITOFE-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H]2CCCCCC2=O)CC1	2303575553	LSTPNIIFXFENSP-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@H]1CCC(C)=C(C)C1)NC	2303593996	BGPOESLTACEJGC-CWRNSKLLSA-N	237.431	4.537	0	10	BJAE	
CC1CC(C)(C(=O)CC[C@H]2CCC(C)(C)C2)C1	2304418771	SXCKZPGUGQIGLC-UYJPIKCFSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C2CCCCC2)C1	2304431379	KLHLZJVAYZMICV-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
Cc1cn(CC[C@@H]2CCC(C)(C)C2)c(C)c1C	2304435253	HQHBLTVLXNBWJN-HNNXBMFYSA-N	233.399	4.630	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCC[C@H]1CNCC	2307827132	UWJYYWPUGYBUCZ-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CCCC2(CC2)C1	2307829771	WYOGPJLYNZPURZ-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1C[C@H]1C1CCCC1	2307926742	QLXATHUODBNAPV-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CC[C@@H]3CC[C@@H]32)cc1	2308175769	KPEXMWFZARZLJN-RCBQFDQVSA-N	243.394	4.585	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2313628950	NNRWPTQZBMXUMR-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@H]1C[C@@H]1C1CC1	2316536139	KTCDKOYMSBHFLW-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1CCCCC12CC2	2316881433	PUQYUVQVONOCOC-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@@H]1CCC2(CC2)C1	2316884807	JXMIIROTCRQXCW-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1CC(c2cc3cc(C(C)(C)C)ccc3[nH]2)C1	2318852648	SUOMSCBHCUOAMQ-UHFFFAOYSA-N	241.378	4.979	0	10	BJAE	
CC1=CC[C@](C)(NC[C@H]2CC[C@@H]2C(C)(C)C)CC1	2320245945	FIIFDPRCXLRNHR-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN2CCC[C@@H]2CC(C)C)CC1	2320338384	VCMBEBHQFVGWFQ-IAGOWNOFSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@@](N)(C[C@@H]2CCC=CCCC2)CC1	2320389375	ZRTFJSHYZGCSGD-IAGOWNOFSA-N	247.426	4.731	0	10	BJAE	
CC1=C(C)C[C@H](CNCCC2(C)CCCC2)CC1	2320406785	SHPIRUKSFRMMKF-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCCCC[C@@](C)(O)Nc1cccc(C(C)C)c1	2323916756	NKQPFEIEHDJEMN-MRXNPFEDSA-N	249.398	4.511	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1cccc2ccoc12	2328198750	BCIFXHCQXZNNIC-WFASDCNBSA-N	245.366	4.649	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1)c1ccc(C)cc1	21509343	XWKBXUQDJHBNNY-KRWDZBQOSA-N	239.362	4.867	0	10	BJAE	
CCCCNc1ccccc1-c1ccccc1	21513823	FMJXAYHLEUROOM-UHFFFAOYSA-N	225.335	4.566	0	10	BJAE	
CC(C)c1ccc(CC2CCCCC2)cc1N	32016116	SLPXULFQBWZFEM-UHFFFAOYSA-N	231.383	4.515	0	10	BJAE	
CCCN[C@@H](c1ccc(CCC)cc1)C(C)(C)C	35582822	ZWINSNGTCSDYMX-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCCC[C@@H]1CC	37031854	SBRSYNZKZVOTPI-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H](C)c1cccc(C)c1	37219486	BQQRAKKCBGZWQV-JKSUJKDBSA-N	247.426	4.862	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCCC(C)(C)CC1	83435515	SATQPRXVSWQJCU-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)n1c(C(C)C)c[nH]c1=S	83865572	MVVHRBASNYWEBG-GHMZBOCLSA-N	240.416	4.666	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](Nc2ccc(F)cc2)CC1	86922604	BMCFYYUVRPSNIQ-UKRRQHHQSA-N	249.373	4.843	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCCC2(C)C)CC1	94321700	INNFHBAPLBXDKO-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCc1cccc(C)c1NC1CCCCCC1	103991990	DNOPUCXGESWBLR-UHFFFAOYSA-N	231.383	4.692	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)c1cccc(C)c1	109725873	GURYAGZGCDOPAW-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCC[C@H](C)Nc1ccc(C)c(C(F)(F)F)c1	109940690	INAOZJOCMFPISK-JTQLQIEISA-N	245.288	4.614	0	10	BJAE	
CC[C@H](C)CC1(CN)CCC(C(C)(C)C)CC1	110193888	RNQDHTIZGDUGIK-HLIUYOAVSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC)[C@@H]1CCCC[C@@H]1CC	111747533	HGSLHEMZFFPFDD-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](O)c1ccc(C(C)(C)C)cc1	112909335	ADPJSLWQTSKLSV-OAHLLOKOSA-N	234.383	4.598	0	10	BJAE	
CCC(CC)CN[C@@H]1CC[C@@H](C)c2ccccc21	124842348	JBBZGCAKHZOJHT-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CC(C)CCCOc1cccc2ccccc12	128146802	MRPBDKMRUDJCJR-UHFFFAOYSA-N	228.335	4.655	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(CNC(C)(C)C)C(C)C	164420928	YHWCNOMDPYVKBE-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C	165571566	GJCRTXSMZBPVJR-XHSDSOJGSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@@H](N)C1CCCCCCC1	165960794	ZIBYTVYKUYONJR-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1cc(C)cc(C)c1	166786357	YYYUPYKQDZSDTR-ZBFHGGJFSA-N	234.383	4.553	0	10	BJAE	
c1ccc(OCCCCCCCC2CC2)cc1	218534027	SYIMRELTJSONFA-UHFFFAOYSA-N	232.367	4.816	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C)C2)cc1C	222510875	KACNOWDZYKIZFR-ISTRZQFTSA-N	245.410	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCCC(C)(C)C2)C1	226900852	LQTFWVWBSNCVNN-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC[C@@H](NC)C(C)(C)C)C1	227182146	UYFAZYQHUHMVKO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CC[C@@H](C)c2ccccc21	228129628	JLTCLOVFCHDFNP-KEYYUXOJSA-N	245.410	4.793	0	10	BJAE	
CC(C)C(C)(C)CN[C@H]1CCCC(C)(C)CC1	232786382	DAFKQBPFQAPVPC-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)(C)C)[C@@H](C)CCC	233169642	AUXKYWKENYKMHR-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C[C@@H]1O[C@@H]1C)c1c(C)c(C)cc(C)c1C	251041154	CNKFCFFYLXCXPL-OAGGEKHMSA-N	246.394	4.591	0	10	BJAE	
C[C@@H]1[C@@H](NC2CCCCCCC2)CCC[C@H]1C	251857408	POCDIAUYVVNYHU-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CC(C)SCc1cc2cccc(Cl)c2o1	257915045	QLOVUKDEGFYWQH-UHFFFAOYSA-N	240.755	4.728	0	10	BJAE	
Fc1ccc2cc(C(F)F)sc2c1Cl	307423235	COVDBBUWKCGAHJ-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC(CC)CC	308032867	PXPSUSXDJVPXRZ-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)CCCC(C)(C)C	308036169	YSZUZZIHEKUSOX-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
CCCc1ccc([C@H](N)[C@H](CC)CC(C)C)cc1	308085253	VJRFOWFNHTVBOU-NVXWUHKLSA-N	247.426	4.711	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)C[C@@H]1CCC[C@@H](C)C1	308090774	GPUHJULEPOLLFE-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCCOc1ccc(Cl)cc1	308737872	LVTNYXRQTKBWTF-UHFFFAOYSA-N	226.747	4.545	0	10	BJAE	
CCC(C)(C)[C@@H]1CCc2nc(C3CC3)sc2C1	310213660	HTESJBIKKKXPGT-LLVKDONJSA-N	249.423	4.562	0	10	BJAE	
CCCNC[C@H](C)CC[C@@H](C)C1CCCCC1	310440815	WKQBELRYXGXXGQ-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@]1(CNC(C)(C)C)CC[C@H](C)C1	318058541	SNPKAWRNUUVTJO-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@H](C)[C@H](C)CC)CC1	318864980	JEGNMUBBNXBWMU-KLHDSHLOSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](CNC(C)(C)C)CC(C)C	319433244	QFBADVDEEOBMTA-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1ccc(C(C)C)cc1	319782121	HBTOBGYIQNKXPL-OLZOCXBDSA-N	232.367	4.675	0	10	BJAE	
C[C@@H]1CC(n2ccc3cc(F)ccc32)C[C@@H](C)C1	380412880	FIHHORBBWWFTIF-RYUDHWBXSA-N	245.341	4.778	0	10	BJAE	
CCC/C=C(/CCCC)c1ccc(O)cc1	380460217	BIYXDVGZKDCMOP-QPEQYQDCSA-N	218.340	4.766	0	10	BJAE	
CCCC1(C(=O)c2cc3cc(C)ccc3o2)CC1	385129696	IHTHQIVVKSVKLM-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccc(C(F)F)cc2)C1	395288786	LZQVTYBMYHXFIZ-MFKMUULPSA-N	239.309	4.615	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)[C@@H](C)CC	395407431	ZPCPIVKDQICNMB-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCC[C@H]1C[C@@H]1CC=CCC1	402353173	NBCCRZRBWDXLRS-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@]2(CC(C)C)CCCN2)CCC1	686133236	UJIZNOGTGNFFII-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CNCC(C)(C)C2=CCCC2)CCC1	687268752	KYLKVOIJDHNCEV-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)c1cccc(-c2ccc([C@@H](C)O)cc2)c1	688957349	DLGKTZDTPRNBEI-CYBMUJFWSA-N	240.346	4.530	0	10	BJAE	
CC1(C)CCC[C@@H](NC2CCC3(CC2)CC3)CC1	695690714	ORMRDCCRLJKBCS-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@@H](NCC2CCC3(CC2)CC3)C1	695702206	YQSNTPQSURWLFS-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCNc1cc(C)ccc1C	696703920	HHTLJORSWXIIIK-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)CC1CCCC1	696728046	OJYUWOYJNMVFBC-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1ccc2ccccc2c1	697771910	ZHEYFYANVLABIW-QGZVFWFLSA-N	239.362	4.586	0	10	BJAE	
CCC[C@H](C)C[C@](C)(N)CC1CCCCC1	704889873	PLMGXASLLCWECR-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H](C)CC(C)C	709175172	HEMNPLJIXAMTLP-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CCCC1(NC[C@H](C)CC(C)(C)C)CCCC1	709238650	BZCMFULCJFOFTK-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@@H](C)C(C)(C)C	711214817	AJGDGYXLYCGVJM-CYBMUJFWSA-N	232.367	4.558	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H](C)CC1CCCC1	712533071	GEZYCPNSIRUUQR-OKILXGFUSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@H]1C[C@H]1C1CC1	712984430	TYNRNIGHKXBGBX-NOLJZWGESA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(O)CC(C)(C)C(C)C	713145242	GWUFKPZGUNIDAG-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@H](CC(C)(C)CC)C1	713264162	MLFPRBBZOYEQLG-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
C/C=C/C[C@@H](CC)c1cccc(Cl)c1	714532769	AEAHKPXUYPJLCV-JOAKQRRISA-N	208.732	4.800	0	10	BJAE	
CC1CCC(N[C@@H](C2CCCCC2)C2CC2)CC1	723982631	OGFXJQBEROUTSV-IMRCBTMISA-N	249.442	4.514	0	10	BJAE	
CC(C)(CCN1CCCC12CCCCC2)C1CC1	1192292700	YJANPDNOHUTGOO-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C(=C/c1ccccc1)\CNc1ccc2occc2c1	1560551878	JTFBTXJIPSBMND-QPJJXVBHSA-N	249.313	4.558	0	10	BJAE	
Cc1ccc(SC/C(Cl)=C\Cl)c(C)c1	1613279149	CIFGCYIYVOXXCQ-UXBLZVDNSA-N	247.190	4.715	0	10	BJAE	
F[C@@H](c1cc(Cl)cc(Cl)c1)C(F)(F)F	1615891511	VNPATHUDLMVZIG-ZETCQYMHSA-N	247.018	4.566	0	10	BJAE	
CC(C)[C@@H](C)Sc1ccc2c(c1)CCCC2	1644017521	BOQZARFBHYJKRG-GFCCVEGCSA-N	234.408	4.702	0	10	BJAE	
CC1(C)CCC[C@H](CNC2(C3CCC3)CCC2)C1	1651199145	AYISJNZEJRYBRM-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1[C@@H](N[C@@H]2CCCCC23CCCCC3)C[C@H]1C	1875421054	XSNIUWAOQFMKPS-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(C(=O)CCC(CC)CC)s1	1900711566	DVJBVZLKQIDBAU-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H](C)CCC	1900857888	KOOFLJOVBQSFDT-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCCC(C)(C)C(=O)CC1CCCCCC1	1901061070	OGUIQLWJWCVFSM-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1cc(C)sc1C	1905391164	PRHKINSZZGRBAX-JSGCOSHPSA-N	239.428	4.581	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCC[C@H]1C(C)C	1907596656	QPOYBBLCMMNYGZ-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C1(C)CCC(C)(C)CC1	1907611867	TWBXPOPSGHCBDV-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC)CCC=Cc1ccccc1	1912068312	LULJLZXAKSMMPR-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCCCCCC[C@@H]1O	1913406204	XPPVPSLAHLGGLP-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@@H]1C[C@H](C)CCC	1916014006	JZDSCFGDOVSGLV-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@]1(CNC(C)C)C=CCC1	1916352196	ZIUUQTVCJXJYHL-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)C1CC(CC)C1	1921288951	CYSKKKHHZOULKT-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@]1(CC[C@@H]2CC2(C)C)CCCCCN1	1921541534	QHLZTEFSKBFRDD-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CNC[C@](C)(CCCC(C)C)C1CCCCC1	1924107661	NJVAQUOYEBJOQF-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1C=CCCCC1	1925765100	KFUYUHCMHXIKDJ-GJZGRUSLSA-N	236.399	4.908	0	10	BJAE	
CC[C@@H](C(=O)c1ccc(C)c(Cl)c1)C(C)C	1936209590	RKHTVFHKMQBTEZ-GFCCVEGCSA-N	238.758	4.513	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@H](C)CC(C)C	1940790036	IRPREFQZAYXDJU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@H](CC(C)C)C(C)C	1941264293	QTJPHNFPSNLSDK-HUUCEWRRSA-N	241.463	4.848	0	10	BJAE	
C[C@H](C[C@@H](N)CCCCCC1CC1)C(C)(C)C	1941587175	PWUDGPDSTDDLNU-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C1(C)CC(C)C1	1941987412	KNQGFZITHBYYCZ-SIWZUTFBSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CCC(C)(C)C[C@@H]1C	1942665659	ZOWAEOUYWMTTRH-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)NC[C@]12CCCC[C@H]1CCC2	1944195466	RKQAQWHABCGYCU-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCC1(O)CCC2(CCC2)CC1	1944602964	XLUYHBHGBLCBEP-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)CC1CCCCC1	1944639079	BCRGGQXDAMHQDM-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](O)CCC1CCCCC1	1944869649	UOUIRMCGDVSKKU-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CCC[C@@H]2CC2(C)C)C1	1945587553	ZETZJHSCGQXFNY-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
Clc1ccc2[nH]c3c(c2c1)[C@H]1CCCC[C@H]1C3	1946274148	HVTKEGSZELMGCP-ONGXEEELSA-N	245.753	4.651	0	10	BJAE	
Cc1ccc(C)n1[C@H]1CCCCCCC1(F)F	1947277661	KFTJADWCOAESJP-ZDUSSCGKSA-N	241.325	4.636	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC1CCC(C)(C)CC1	1947462927	DIZVFCSEQIGYBL-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
FC(F)(CC[C@H]1C=CCCC1)c1ccccc1	1947560547	ARFBVWDXKMVVFV-ZDUSSCGKSA-N	236.305	4.915	0	10	BJAE	
C[C@H]1C[C@]1(C)CNC1CCCCCCCCC1	1947867286	TWQAXOCZJRNNNA-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccccc1O[C@H]1CCC(C)(C)C1	1949502671	XHSDAMWQGQXTSW-AWEZNQCLSA-N	232.367	4.597	0	10	BJAE	
CCCC[C@H](CC)NCCC12CCC(CC1)C2	1950957882	JGRIPODZXUECQF-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CN(Cc1ccccc1)[C@H](C)C(C)(C)C	1953230253	AKCFCQIQZWSNAV-OAHLLOKOSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H]2CCCCC23CCC3)C1	1966433594	FMMAOJQSPXDAAM-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NCC2[C@@H]3CCCC[C@@H]23)cc1	1968295176	RXCYCLKFHSAYRP-HZPDHXFCSA-N	243.394	4.658	0	10	BJAE	
CCC1CCC(CNc2ccc(C)cc2F)CC1	1968326797	NLJXSIYNQIIMIO-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC12CC2)c1cccs1	1972725850	SAOCOMHCMOWWMC-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
CCCC(C)(C)CN[C@H](c1ccccc1)C1CC1	1973168674	FGHLASKZMNKEBG-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CN(CC1(C)CC1)[C@H]1CCCCC12CCCCC2	1974448953	FLFXNXCSXFVOQO-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCC/C=C/CNc1cc(Cl)cc(Cl)c1	1974575161	BTROXGWJLNMDNX-SNAWJCMRSA-N	244.165	4.762	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CC)c1cccs1	1980686590	FBQJRMQEJVANSA-OLZOCXBDSA-N	239.428	4.615	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H](C)C1CCC1	1985607055	VVUKOQMBQYCCPY-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Oc1cc(C)c(Cl)cc1C	1989927255	YIBBJFQPPVPLED-BXKDBHETSA-N	240.774	4.770	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C(C)(CC)CC	1992046169	GJAQKAMPNQQCCI-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC(C)Cc1csc([C@@H]2CCCC2(C)C)n1	1995450120	UUAVBLMICFQJDB-LBPRGKRZSA-N	237.412	4.635	0	10	BJAE	
CC=C[C@@H](C)N[C@@H](CC)C1CCC(C)(C)CC1	1996589929	SDPCVGVTYFEZFN-HIFRSBDPSA-N	237.431	4.536	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)C2CCCCCC2)CC1	1997205198	LLBBKFHIABZHEK-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@]1(C)CC=CCC1	1997606978	QSGUGGSCHXSHRZ-IJEWVQPXSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@H](C)[C@@H](C)CC	1998031956	JLNQZCKJDHHWCG-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CCC2(CCC2)C1	1998693771	PSQHVHLYDCDAFN-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](C)CCC[C@@H]1CCC=CCCC1	1999994645	WXXWIQCZNLDBKW-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1C(C)=CCC[C@H]1C	2000385253	PHDFSGYNRWDCNY-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CNC)[C@@H]1C=CCCCCC1	2000507765	HDQHREOFJHSKKF-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](C)(CNCC(C)C)CC(C)(C)F	2000518883	TZSGXSFUYDLRIE-OAHLLOKOSA-N	245.426	4.567	0	10	BJAE	
CCC[C@@H](O)CCC[C@@]1(C)CCCCC1(F)F	2002577453	UPQLJZGDMGMBJH-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]([C@@H]1CCCC(C)(C)C1)N(C)CC(C)(C)C	2002991794	WACKZKMMQHTRDX-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](NCC)C1(C)CCCCCCC1	2004924267	ZIGXWDKWODQWJZ-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCCCC12CC2	2005537110	RLRAYTHSHFMMOV-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC[C@@](C)(F)CC1	2005918315	HKZGUGPFDZKYDH-SOUVJXGZSA-N	243.410	4.606	0	10	BJAE	
CC1=C(C)[C@](N)(CC2(C)CCCCC2)CCC1	2006972949	SCZOJLIWITVFCX-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC1(CNc2ccc(CF)cc2)CCC1	2007022324	ABHWDLRLFFGSSQ-UHFFFAOYSA-N	235.346	4.538	0	10	BJAE	
O[C@H](C=C1CCCCC1)CCC1CCCCC1	2007919776	FMHLBFODFRIEJL-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](N)(C=C1CCCCC1)C1CCCC1	2007969091	XPKONTFSOVTXSW-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)c1ccccc1-c1csc([C@H](C)N)c1	2008404354	DBOKFSQGEQCHTQ-NSHDSACASA-N	245.391	4.558	0	10	BJAE	
CC(C)[C@]12CC[C@H](Nc3cccc(Cl)c3)[C@H]1C2	2009130179	JCPZQDZVWWISLV-QLFBSQMISA-N	249.785	4.577	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1CCC(C)(C)CC[C@@H]1N	2009411167	NZUODVQSEAJWAC-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
C/C=C/CCCN(CCCC)c1ccccc1	2009574924	VFKRHKRAXJNUAP-HWKANZROSA-N	231.383	4.649	0	10	BJAE	
CCCC[C@@]1(CC2CCCCCC2)CCCN1	2009771486	TWCDTFQAJMGAKL-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C1=CC[C@@H](C)CC1	2010613465	SIPWWAFRVSAAJR-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C(=O)CC1CC2(C1)CC(C)(C)C2	2011847209	ZPVBERKOYMQQBX-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H]1C[C@H](CCCC(C)(C)C)CC(C)(C)C1	2012063260	QYWRIUQJVMZXDT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)CC(O)(C1CCCC1)C1CCCC1	2013227118	FDRDJQIYFUSYIL-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C(=O)c1sc2ccccc2c1C	2014307096	URJNXBXCXNRWGB-JTQLQIEISA-N	246.375	4.829	0	10	BJAE	
CCCCC[C@]1(CNC(C)(C)C)CCC1(C)C	2014845465	FSGLCVKHVSXNPX-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC=CCCC[C@@]1(CNCCC)CCC1(C)C	2014845611	GXFIUWSYIAQWDY-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@H](CC)C2)CCC1	2015642944	WHMMEYHPZXUTQG-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)C1(CC(C)C)CC1	2015750572	VGUNJWDPSCGMJH-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C[C@]1(C)C[C@@H]1C)NCCC	2016462403	ZIQYJAUKDIYPNB-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@H]1CC[C@H](C)CC1	2017651856	ZBBGZZHSWPOHGU-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C[C@H]2CCCC[C@@H]2N)CC1	2017729190	UFVNITQLMFHLLA-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC1CCC(CC)CC1	2017730207	FGJQYWJEGFYKQT-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2CC[C@@H](C)C2)CC1	2017765100	HJCXHDWKJMUNCN-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(OC[C@H]2CC[C@H](C)CC2)cc1C	2017774867	USGIRFHTOICBQX-NNUKFRKNSA-N	232.367	4.509	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)C1C[C@@H](C)C[C@H](C)C1	2017786862	BTLJIUCXZWTVRE-IHRRRGAJSA-N	239.447	4.568	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(C)c(F)c1	2018139125	OIMUTVVYEWVIDC-CYBMUJFWSA-N	237.362	4.905	0	10	BJAE	
CCCC1(C[C@@H](NCC)C2CCCCC2)CC1	2018992547	SFWRZISDQYXBFH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@H]1CC[C@H](C)CC1	2019450718	MQNSTSQXAFBENF-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](N[C@@H]1C=CCCCC1)c1cccs1	2019497968	KWUNWMQUELVTGV-ZIAGYGMSSA-N	249.423	4.678	0	10	BJAE	
Cc1ccc([C@@H](C)N(C)[C@@H]2C=CCCCC2)s1	2019532405	LMLXBVXAUQYSNL-ZIAGYGMSSA-N	249.423	4.548	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@H]1C=CCCCC1	2019534074	XFHFURXKWJDMCI-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CC=C(CC)[C@@H](CC1CC(C)(C)C1)NCCC	2020970577	YADMHLGBFPTXHP-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccccc1C1CC1	2021026321	QHUIQQWCRIEIRP-GFCCVEGCSA-N	231.383	4.801	0	10	BJAE	
Cc1cscc1NC[C@@H]1C[C@@H]1C1CCCCC1	2022488788	FHLLTQBFUHEAFH-UONOGXRCSA-N	249.423	4.685	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H]1C[C@@H]1C(C)C	2022625069	ZQFKQFLYQIGCKP-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CCCCCC=C1CCCNC12CCCCC2	2024621541	XQPLPWLLUOBUBG-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)C1C(C)(C)C1(C)C	2026167153	PJVYXPVPDIAKBK-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)C1(C)C(C)(C)C1(C)C	2027153341	RLTUADQSNOWRSM-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1OCC1(C)CCCCC1	2027292334	UIVJJCCGHLTKDT-UHFFFAOYSA-N	246.394	4.988	0	10	BJAE	
CCCc1ccccc1CN[C@H](C)CCC(C)C	2027901157	HTUGWJHKPZIELM-OAHLLOKOSA-N	247.426	4.553	0	10	BJAE	
CCCC[C@@H](CC)NCc1ccccc1CCC	2027905109	FPTIYUYKXBYHPH-QGZVFWFLSA-N	247.426	4.698	0	10	BJAE	
CCCc1ccccc1CC(=O)CC(C)(C)CC	2027917823	SRFIPWNVIAIUJM-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CC1(C)C(C)(C)C1(C)N[C@@H]1CCC12CCCCC2	2028165494	JDTQCZBOPCOGPU-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)c1ccc(CC(C)C)cc1	2028231171	CAEPUEVUQKHNCN-IRXDYDNUSA-N	248.410	4.601	0	10	BJAE	
CC1(C)C(C)(C)C1(C)[C@@H](N)CC1CCC=CCC1	2028870088	NZCQRBSGDOXAPU-AWEZNQCLSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H]1CC(C)(C)CC2(CC2)C1	2030279710	NGMQYAYVTIFETJ-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCC1(CN[C@@H]2CC(C)(C)CC3(CC3)C2)CCC1	2030288623	PRHFPGJLCLOLON-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C1CCCC([C@H]2CCN2C2CCCCCC2)CC1	2031751437	DHYOZMWCJIMVGK-QGZVFWFLSA-N	249.442	4.754	0	10	BJAE	
N[C@]1(CCC2CCCCC2)CC[C@@H]2CCCC[C@H]21	2034255678	DXYTUEXBFMIJAY-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC1(C2CCCC2)CC1	2035421139	GDCCKGNKWYDRMQ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(C2(O)CCCCCCC2)cc1	2035545255	VUDLOTCLMGWPDY-UHFFFAOYSA-N	246.394	4.742	0	10	BJAE	
CC(C)C1CCC(N[C@H]2C=CCCCCC2)CC1	2036500111	RDYQXDGMFOSHQT-CGZBRXJRSA-N	249.442	4.680	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@@H]1CCCC[C@H]1C	2037050534	AEOALBOLUDQBQZ-UNEWFSDZSA-N	245.410	4.636	0	10	BJAE	
CC1(CCC[C@]2(N)CC[C@H]3CCCC[C@H]3C2)CC1	2037179324	KPJMJWLOSLMDKP-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC[C@](C)(CNC1CC1)[C@@H]1CCC2(CCCC2)C1	2037702351	KPSGUFAMCOHTPR-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CC3CCC2CC3)CC1=O	2037877801	XMZSMLKQBZLCKY-JYVUQVBGSA-N	248.410	4.598	0	10	BJAE	
CC(C)(CCC(=O)CC1CC2(CCC2)C1)C1CC1	2037976410	KEYHDUUCMSSEFO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@@H](N)CC2CC3(CCC3)C2)CC1	2037980171	UXRUNRFGGROYJS-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)CC12CCC(CC1)C2	2039415702	NTASYHRUKSPGID-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)C23CCC(CC2)C3)c1	2039859477	LRZYGLCQPWCYTH-HPUBIQBYSA-N	243.394	4.684	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(N)C23CCC(CC2)C3)C1	2039871815	HTIDUBMPOHTFIV-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC[C@@H]2C[C@H]2C1)C1CCCCC1	2040652163	XMTMXLURERASSP-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](NC2[C@H]3CCC[C@H]2CC3)CC1	2042053488	HWGUVJHHUQAXPU-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CN(C[C@@H]1CCC=CCCC1)[C@@H]1CCC(C)(C)C1	2045307583	MBUUNKOFHBKQCN-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@@H]1CCC=CCCC1	2045308827	XBPWBNYLZOQNTG-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CCc1occc1C(=O)C[C@@H]1CCC=CCCC1	2045310030	MAYZFRDPKMMERU-CYBMUJFWSA-N	246.350	4.551	0	10	BJAE	
CC(C)(C)C1CC(N)(C[C@@H]2CCC=CCCC2)C1	2045317575	MVQQHRPBZLUFSA-HPUBIQBYSA-N	249.442	4.667	0	10	BJAE	
Cc1ccccc1[C@H](O)C[C@H]1CCC=CCCC1	2045335674	VFLXFOSGGMSRRH-DOTOQJQBSA-N	244.378	4.555	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H]2CCCC23CCC3)C1	2045449344	AVCTZSPBSYSIJX-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(F)c2cccc(N)c2)C1	2045505177	FTXIPKNJCVPFJB-CJNGLKHVSA-N	249.373	4.670	0	10	BJAE	
CC(C)(C)CC[C@@]1(CNC2CC2)CCC12CCC2	2047939036	KNSZJTUSSJSSSV-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048436455	RUZMYKAXAHMHCH-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
C1=C(CCNC2CCCCCCCC2)CCCC1	2049672799	PCMUHDOAADPKHL-UHFFFAOYSA-N	249.442	4.970	0	10	BJAE	
CN[C@H](CC=C(C)C)c1ccc(CC(C)C)cc1	2051399502	HMNMTVHPWIMFAZ-QGZVFWFLSA-N	245.410	4.502	0	10	BJAE	
CCNC[C@]1(CC2(C)CCCC2)CCCC12CC2	2053358663	LFRLWGUTEIRQRX-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)NC[C@H](C1=CCCCC1)[C@@H]1CCC[C@@H]1C	2055271235	RSEFUWBKKIJFLF-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC=C[C@@H]1NCCC1CCCCCC1	2055535566	JIMSNEYDWKGLAQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC(N[C@@H]2CCCC3(CCCC3)C2)C1	2058829808	OEDNKTDLMFZSTQ-QQFBHYJXSA-N	249.442	4.658	0	10	BJAE	
CC=CCCC[C@@H](NCCC)c1ccc(F)cc1	2059225138	JYRUMGREWNGHQJ-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCCC3(CC3)C2)C1	2059397429	KIQFENBCZMVVAF-PCKAHOCUSA-N	249.442	4.658	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)[C@H]1CCC[C@H](C)C1	2061086783	AZCXQTICBKYMCG-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@H]2CCCCC2(C)C)CC1	2061087718	HQPNILXJNGGHHT-FVQBIDKESA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@@]1(CNCCC)CCCC(C)(C)C1	2061563719	RODWGCWZTOZDTE-QGZVFWFLSA-N	249.442	4.694	0	10	BJAE	
CCC1(C)CCC(NCC[C@@]23CCC[C@H]2C3)CC1	2061575150	PBZDXKPOQTWIGY-ZGRYLRDCSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)CC1CC(=C2CCC2)C1	2061696101	MCRKJXAXZYBTNX-HZPDHXFCSA-N	246.394	4.518	0	10	BJAE	
CN[C@@H](CC1CC(=C2CC2)C1)C(C)(C)C(C)(C)C	2061730495	IPYYYBRWZNUGKG-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCc2ccoc21	2062955416	DTOMAEUWNRZWCC-DZGCQCFKSA-N	249.398	4.606	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C12CCCC1CCC2	2063852658	PKZVVDQWWHQLNF-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2CC3(C2)CC3(C)C)C1	2064127926	UGCHUQZUNLASJU-SFYCDEOASA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCCCN1CC12CCC(CC1)CC2	2065279077	FZFMCHMIHJDRTP-AQFXKWCLSA-N	249.442	4.611	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1CC[C@H]2C[C@@H]2CC1	2070397993	JVYJTVIDMSPRAI-XIRDDKMYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](NC)c1cccc(C(C)C)c1	2071506080	QXQNGRBNHLUXBW-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CCN[C@H](CC1(C(C)C)CCC1)[C@@H]1CC=CCC1	2071942541	FQUVTXQURQIOGT-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C(C)=C(C)C)c1ccc(C(C)(C)C)cc1	2072416999	KWVJRBDYGJDRII-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2072869372	PTECFLAICGVFHP-QXKUPLGCSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2072874603	DARXRDBKLJKAFI-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(CC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2072875329	MPRULLOFPJNSNS-GHSKHGPUSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@]23CCCC[C@H]2C3)C1	2074114284	QWACQSFJGDOOIC-SOXILONMSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCCC1=C1CCNC2(CCCC2)C1	2074131648	DAPUYFFKHSQBGO-AWEZNQCLSA-N	247.426	4.579	0	10	BJAE	
C1CCC(CCN2CCC[C@H]3CCCC[C@H]32)CC1	2074889720	UKIPJAZJYFEWRU-IAGOWNOFSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@@](CN)([C@H]2C=CCCCC2)CC1	2075372661	ILOAYVVBJAEIBL-DOTOQJQBSA-N	249.442	4.668	0	10	BJAE	
CCCN[C@H]1[C@@H](C=C2CCCC2)CCCC1(C)C	2076403439	YJPFCZOCKKEMJS-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN(C[C@]12CCCC[C@@H]1C2)C1CCCCCC1	2076548163	BWVHIHHEPPFBNV-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1C[C@@H]1C1CCCCCC1	2079481997	CPDNYWKRDNZWJK-CVEARBPZSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1C[C@@H]1C1CCCCC1	2079529483	LWKIMLCOZCBCFC-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@H]1C[C@H]1C1CCCCC1	2079830727	FDGXSGWKTIDWEQ-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
CC1CC(C)(C(=O)C[C@@H]2C[C@H]2C2CCCCC2)C1	2079843611	ROCJJDPCCNHCSP-MTKIKNGMSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@H]1C[C@H]1C1CCCC1	2079869998	IWCNYNLYOIWEMP-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@]12CCCC[C@@H]1C2	2081786578	RVJURSAFFQFIOF-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C[C@@]2(CN)C=CCC2)CC(C)(C)C1	2082979294	MRFYRTLUZNLUKY-QGZVFWFLSA-N	249.442	4.524	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1C2(CCC2)C12CCC2	2083553599	USXUTGQBQAUIHK-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](C)CCc1nc2cccc(C)c2[nH]1	2085922128	JQJIGFNLXCWGNW-LBPRGKRZSA-N	244.382	4.630	0	10	BJAE	
CCCC1CCC(C[C@@H](N)C[C@@H]2CC23CC3)CC1	2086353304	WWRZRNPOPBGERR-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CCCCCCCC1CC1)NC	2210527570	TVCFDZVTBHNIGX-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC(C)C(C)(C)CNCCCCCCC1CC1	2213571925	OXTFNBWNDVJUGE-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CCC1(N)CCC(C2CC2)CC1	2213697974	CPYSVZYNSRNKQA-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(=O)CCCCC1CC1)C(C)(C)C	2214554899	ZOUZVRACZFMBFA-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@](C)(CCCCC1CC1)CNC(C)C	2214569411	NHXROVSRXXFNEW-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)[C@@H](CCCCC1CC1)NCC	2214572088	ZZOZNQPQHUBXPU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@@H]1CC[C@H]1C	2214934388	OPKLNORXMOIOCY-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@@H]1Cn1c(C)cc2cc(Cl)ccc21	2214991519	FSPMDCSXXFUSGA-WCQYABFASA-N	247.769	4.649	0	10	BJAE	
CCCC[C@](C)(CC[C@@H]1C[C@@H]1C)CNC(C)C	2215242663	DJYORCWDTVDBHG-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](CC[C@@H]1C[C@H]1CC)NCC	2215252025	PPNXULCNFBSYRS-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CC[C@H]2C[C@H]2C)CC1	2215265861	MJFSLLHDGHZQSK-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)CC1CCCCCC1	2215343951	XPLZBXDUFFDDFI-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CCCCC(F)F)CC1	2216510835	HDHNQYKMNPMWFV-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC[C@](C)(CCCC(C)C)CNC1CCC1	2217142635	XCIZCBPYXASVMN-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@@H](CCC(C)(C)C)CC(C)C	2217152320	CWQFSFDLIKHDPO-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CN(CCCCCC1CC1)CC1CCC=CCC1	2218672531	DIFGRHAUUALAOZ-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
Cc1cc([C@H](N)CCCCCCC2CC2)c(C)o1	2218730075	GKPNDBAPCKKAGK-MRXNPFEDSA-N	249.398	4.647	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](CC2(C)CC3(CCC3)C2)N1	2221029688	BFLBXMRQZWKMGH-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@@H]1C)[C@]1(C)CC=C(C)CC1	2221630130	GXHMIYDWYKLWBB-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C(CCCN[C@H]1CCC2(CC2)C1)CCCC1CC1	2223158262	HUHABUMPBDCZGQ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](CNC1CCC1)[C@@H]1CCC2(CCCC2)C1	2223548789	RGEQXPOTHQGREM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CNC2CCC2)(CC2CCCCC2)C1	2223551678	SCQYLCUOZKKDGU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CC2)CCCCC12CCC2	2223588446	HLTMFKBNMBIOSM-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NCC1([C@H]2CC2(C)C)CCC=CCC1	2223594987	BBONVYGHASKHHG-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)NCC1(C2CCCCCC2)CC=CC1	2223596595	PLTDBEGYCSZQMX-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C2(CNC3CCC3)CCCC2)C1	2223598454	IOARSLKUVPZGCE-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@H](CC)CCC	2244787030	YUQCNLOGRQTCHF-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)CC(=O)C[C@H]1CCCCC12CC2	2246618078	RLYIGHCDISYJFS-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC1CC(O)(CC[C@H]2CCC[C@@H](C)C2)C1	2246695460	UKMDBZNHPQFKLK-WXLSXGNJSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCCC[C@@]2(C)O)C1	2246725419	HRTAQOMMUBAIFG-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CCCC12CC2)NCC	2247621552	ZQQLYUSXWYKYFB-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C(=O)CC(C)(C)C)cc2ccsc12	2248564502	ADIKDFKUBUZMOD-UHFFFAOYSA-N	246.375	4.829	0	10	BJAE	
CCCN[C@H](CCCC(F)F)[C@@H](CC)CCC	2250372479	PNLAUFDUCOCWOM-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)[C@@H](C)C1CC1	2250479491	VLHCBPANRYHUQG-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(O)CC1CC1	2250496969	XQDLSDUYVNBINB-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@]12CCC[C@@H]1CC2	2251195451	LTBJYBRRURYJAY-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
Cc1occc1C(=O)CC[C@H]1CCCCC12CC2	2253800035	GEIVDMRNHDCNLN-CYBMUJFWSA-N	246.350	4.521	0	10	BJAE	
CC1([C@@H](N)CC[C@@H]2CCCCC23CC3)CCCC1	2253868478	BXBYLSJXUNRWLL-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C)c1ccc(C)c(CCC=C(C)C)c1	2254229430	PALKJVQHMVKEMO-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
C[C@H]1C[C@H]1CCCC[C@@H](C)C(=O)c1ccccc1	2254508383	MCOMYTFIYJAMAC-IJEWVQPXSA-N	244.378	4.722	0	10	BJAE	
CCCNCC1(CCCC[C@@H]2C[C@H]2C)CC=CC1	2254593752	IUVBCFPPWZAVHY-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC[C@H]2C[C@H]2C)cc1C	2254596337	VGHGMFKYSDSSRK-VYDXJSESSA-N	245.410	4.520	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CCC12CCC2)C1CCCC1	2255029094	QJDWFDWQVBHVEV-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
N[C@]1(CC2=CCCCC2)CC[C@@H]2CCCC[C@@H]2C1	2255096540	YBDZKZCQJKCXGF-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)CC1CCCCCC1	2255140117	HALJBTXJKHAMMO-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)CC[C@H]2CCCC23CC3)C1	2255323105	LKAMKGGZQWYUBH-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@H](O)CCC(C)(C)CC)cc1	2256318107	QBAXANDWOKOWNJ-MRXNPFEDSA-N	248.410	4.889	0	10	BJAE	
Cc1cc(N[C@H]2CCCCC23CC3)cc(C)c1C	2258234902	XJQRXHOOCIJBKQ-INIZCTEOSA-N	243.394	4.747	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1(c2ccccc2)CC1	2259438051	NZEKCXHXXAGZIS-AWEZNQCLSA-N	244.378	4.504	0	10	BJAE	
CC1(CNC[C@]23CCC[C@@H]2CC3)CCCCCC1	2260532320	DJUWQRRWMYUUJH-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](CC1(C)CC1)C[C@]12CCCC[C@@H]1CC2	2260577678	HDNZZMSNQSASMQ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccnc(C(C)(C)C)c1	2260740622	RVYUJSYMJYRPEQ-CYBMUJFWSA-N	248.414	4.616	0	10	BJAE	
CC1(C)CCCCCN1CCC1CCCCC1	2298883020	MCZCDKBBRDMQMH-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC(CC)CC[C@H](N)c1ccc(C)cc1C	2300674055	PMAAPROMPANAND-INIZCTEOSA-N	233.399	4.520	0	10	BJAE	
CCC(CC)CC[C@]1(N)CC[C@@H](C)[C@H]1C(C)C	2300705765	HYGIRCURHOXAKH-FVQBIDKESA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H](C)C1CCC1	2300871250	DCIHUBISMWFYRL-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@@H]1CC=C(C)CC	2300927747	YCIMWXTWSNEUPR-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)(CNC(C)(C)C)CC1CCCCCC1	2301243903	HCWGYZHXDMUBIL-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCCCC1CC(O)([C@H](C)[C@@H](C)C(C)C)C1	2301862560	VOTBCBNSHBKZEP-QRNKSROTSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCNc1cc(F)ccc1C(C)C	2301921802	RPRFQUBUQUGATI-UHFFFAOYSA-N	237.362	4.797	0	10	BJAE	
CC(C)CCCCC[C@@H](F)C1(N)CCCCC1	2302585965	RWPBINWJVQTUPU-CQSZACIVSA-N	243.410	4.593	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCCC[C@@H]1C[C@@H]1C	2302644112	OCRZGLJGSLFZBQ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC)C[C@H]1CCC(C)=C(C)C1	2303525775	PZRHDLXNBPCJIG-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)c1cccs1	2303594857	MIIKWBZPTVZDDY-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CCC)CCCCCN1	2307819424	LMIHWZUGDBHOIA-CVEARBPZSA-N	239.447	4.905	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H]1CCC(C)(C)C1	2307826290	KYMRCDKTQYPATF-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)C1CCC(C)CC1	2307837376	GWCLEDXSKRCSMJ-GYTBAZASSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1CCCCCCC1	2307895363	PTHBYROBJFDOAL-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](C(C)C)CC[C@H]1O	2307908838	RLLPZOXSJRFQDW-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CC[C@@H]3CC[C@@H]32)cc1	2308177188	XWWVSZSMFGJHIG-CSFVBSKPSA-N	243.394	4.801	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2308413244	AQBNEHIAUVFPND-GVDBMIGSSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309130749	VJPHSKGIKXPRSI-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](N)(C[C@@]12CCCC[C@@H]1C2)[C@@H]1CC1(C)C	2311148226	SGUQPZQBYITRII-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2311610440	QXKBXAIUCNMXFZ-DNNBLBMLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1CC[C@@H]2C[C@@H]2C1	2311745718	HUUBYJLMCDVFEP-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)[C@@]23CCCC[C@@H]2CC3)C[C@H]1C	2313305624	XYGKQJAIMHDUHY-DRXUAVOGSA-N	248.410	4.598	0	10	BJAE	
CCc1cc([C@H](NC)[C@H](C)C(C)(C)C)ccc1C	2314691016	UCXTVFWDOGTSDF-XJKSGUPXSA-N	247.426	4.500	0	10	BJAE	
CC1(C)[C@H]2CC[C@](N)(CC3CCCCCC3)[C@H]1C2	2316883317	HJRAQIOLRYCHPL-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@@]12CCC[C@@H]1CC2	2316999324	SFNAHCZLKWYIJQ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CNC[C@]1(CC2CCCCCC2)CC12CCCC2	2317010675	QJQWPXSBMZPXOX-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@@H]1CC[C@@H](C)C1	2318589256	OQEOHCSJMFGFQU-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCCC1CC1)CC[C@]12CCC[C@@H]1C2	2318874841	KLVZFTBQPQZEHQ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1CCCC[C@@H]2C[C@H]12	2319341038	NSULCIWJDSXURH-ORQFMDKSSA-N	249.442	4.514	0	10	BJAE	
O=C(CCCCC1CC1)CC[C@@H]1CC[C@@H]1C1CC1	2319735563	YAQVHOIBAVGMFX-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@H]1CC[C@H]1C(C)(C)C	2320101349	NTLRFVQQHBEUAJ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1CCC(C)=C(C)C1	2320237384	JPWVPGMQDWNDPD-IXDOHACOSA-N	249.442	4.824	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCCC(C)(C)[C@@H]2N)CC1	2320339320	CTQLNKVMWDIFNC-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1CC	2320395958	XXXCPCRMPPRBEN-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(NC[C@H]2CCC(C)=C(C)C2)CC1	2320410625	ADLBGFNWFYXFBQ-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CC(=O)CCC=Cc1ccc(SC(C)C)cc1	2320797303	RLPWSOFWSSXYKH-UHFFFAOYSA-N	248.391	4.570	0	10	BJAE	
N[C@@H](C1CCCCCCC1)[C@@H](CC1CC1)C1CC1	2320802740	SOHCCFSARVEIQW-IRXDYDNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@@]3(C)CC=CCC3)(C1)C2	2321577099	DUIPXKWSRADRNU-GTPINHCMSA-N	246.394	4.518	0	10	BJAE	
Cc1cccc(C)c1OCC[C@@H]1CCC(C)(C)C1	2321611929	VSCVBDDEIWACLE-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@]23CCC[C@@H]2CC3)C1	2321623160	VTVVEAREZWUEBL-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@@H]3CC[C@H]32)c1F	2327804912	WOIYMSIHJWVHNG-IACUBPJLSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC2CC2)CC12CCC2	2328200975	CUSQAFXBHSIHRR-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)Nc1ccc(Cl)cc1Cl	21026963	PQLHZALESWATKR-SECBINFHSA-N	246.181	4.840	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@@H](C)CCC(C)C)c1	21513126	VQYDBGYJDDIABT-HOTGVXAUSA-N	247.426	4.779	0	10	BJAE	
CN[C@H](c1c(C)c(C)c(C)c(C)c1C)C(C)(C)C	35467650	KAIGFCHPZDVTIB-MRXNPFEDSA-N	247.426	4.535	0	10	BJAE	
CCCN[C@@H](c1ccc(C)s1)[C@@H](C)CCC	35573100	JAIQWUVHHWACJU-SMDDNHRTSA-N	239.428	4.533	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H](C)CC(C)(C)C)c(C)c1	36889567	QSPNHLQUXZBDEO-BBRMVZONSA-N	247.426	4.766	0	10	BJAE	
CCCCN[C@H](CC(C)(C)C)c1ccccc1	37128630	USGKRRFJJNSQRL-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
CC(=O)c1cccc(-c2ccc(C(C)C)cc2)c1	38071991	KUTMBIUXULYBGB-UHFFFAOYSA-N	238.330	4.680	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccc(C(C)C)cc2)C1	80426531	LBWVQFYFRSQUEN-CZUORRHYSA-N	231.383	4.801	0	10	BJAE	
C[C@@H]1CCC[C@H](CNc2cccc(Cl)c2)C1	84340447	HODXZDVUOJYORJ-NEPJUHHUSA-N	237.774	4.578	0	10	BJAE	
CCC(CC)(CC)NCCC1CCCCC1	87473443	XSQLOJTZMNXTMR-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
Cc1ccc(C(C)C)c2oc(C(=O)C(C)C)cc12	88071872	UPCSRBWYMUVWFK-UHFFFAOYSA-N	244.334	4.703	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)CC1CCCCC1	93676226	WMOOHENPNOBQIV-NTEUORMPSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1C)C(C)(C)CC	104009199	XBCLTHBJEJGHOR-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCCCCC(=O)c1coc2ccccc12	122665862	SPHYETGNUXXIRO-UHFFFAOYSA-N	230.307	4.586	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)C1CCCCCCC1	159095120	LXWPPMKOUXPNFJ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
O[C@@H](c1cccc2ccsc12)C1CCCCC1	163164801	LTRKJUDUOZKIFZ-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CCCN[C@H](CC1CCC1)C[C@@H](C)C(C)(C)C	167142625	IDNCOCREYVTDBQ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(N)(C2CCCCCC2)CC1	167673877	UZIQYRQHDONQDR-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)C1CCCCCC1	229147180	VLUSRJXCVAYGJB-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC(=O)c1cc(C)cc(Cl)c1	229446747	YZWVQLWKYAKRMC-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC(C)[C@H](C)[C@H]1CNc2ccc(C(C)(C)C)cc21	232805965	ARJSOLSFMVJFRU-SWLSCSKDSA-N	245.410	4.785	0	10	BJAE	
CCC(C)(C)CN[C@@H]1CC[C@H](C)c2ccccc21	232984584	GWAIZOVHIFKAQT-XJKSGUPXSA-N	245.410	4.651	0	10	BJAE	
CCC1(CN[C@H](C)c2ccc(C)cc2C)CCC1	233093520	RIRAFTVBKJXSKS-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CC[C@H](C)n1ccc2c(Cl)cc(Cl)cc21	234023261	DRLSPYKEGVNGCY-QMMMGPOBSA-N	242.149	4.919	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCCC[C@H]1C(C)C	251858906	OEASJUDROTWORU-VGWMRTNUSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1C[C@@H]1N[C@H]1CCCC[C@H]1C1CCCCC1	300585501	GTNJANSAWWCGLC-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@H]1CCC[C@@H](C)C1	300664379	PQOBENXJSCEITC-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H](C)CCC)NCC	300920903	LEUBQPNLZZMPKX-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H](C)CC(C)C	300997514	WORKKLOJTDCNCX-KGLIPLIRSA-N	226.404	4.844	0	10	BJAE	
Fc1ccc(NCC2CCCCCCC2)cc1	305933966	PRHGMLQZTLWQTQ-UHFFFAOYSA-N	235.346	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CC1CCC(C)CC1	310100015	BBKULHBXKDLUEB-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(OC[C@@H]2CCC[C@H](C)C2)c(C)c1	310175897	VCQXUBGBWVHHOL-SWLSCSKDSA-N	232.367	4.509	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1(C)CCCC1)NC	310425098	RKGLZPYRWCLKKU-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)CC2CCC(C)CC2)c1	310923696	CBAGUKLSEZSPCI-QOJXUVEWSA-N	246.394	4.553	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@@H](C)C(C)(C)C	311046665	HJTOFTSIRMYZQF-CJNGLKHVSA-N	248.410	4.916	0	10	BJAE	
Cc1ccc([C@H](C)NCC(C)(C)C(C)(C)C)cc1	311089374	QOILDHXLVQVQBW-AWEZNQCLSA-N	247.426	4.718	0	10	BJAE	
CC[C@H](Nc1ccc(C(C)(C)C)cc1)[C@H]1C[C@@H]1C	322151345	IKKCLXLVSQRBAT-RCBQFDQVSA-N	245.410	4.831	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCC1=CCCCC1	379581936	MNJYFOXIJLHVDS-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(OCCCCCF)cc1	380207698	SRFWTCILSHHVOP-ZDUSSCGKSA-N	238.346	4.719	0	10	BJAE	
CC(C)c1ccccc1-c1cc(Cl)ccc1O	383254988	GTJFADDEHAWNAM-UHFFFAOYSA-N	246.737	4.836	0	10	BJAE	
CCC[C@@H](CCC[C@H](C)c1ccccc1)NCC	384737266	KULRDKNBJHYZRS-RDJZCZTQSA-N	247.426	4.739	0	10	BJAE	
CCc1ccc(N[C@H](CC)c2ccco2)cc1C	385344361	YWKSASPWFVXFIA-OAHLLOKOSA-N	243.350	4.714	0	10	BJAE	
CC1(CNc2cccc(C(F)F)c2)CCCC1	386368407	XYDVGJCRJLOIOQ-UHFFFAOYSA-N	239.309	4.616	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CCCCC1)c1ccco1	386571095	XMDNZCBHVZTPIC-DZGCQCFKSA-N	249.398	4.537	0	10	BJAE	
CCCC1(CNC[C@@H]2CC(C)=C[C@@H](C)C2)CCC1	391785522	SBURTTRTNAEUDL-ZBFHGGJFSA-N	249.442	4.539	0	10	BJAE	
CCC1(CNCC2(C)CCCCC2)CCCC1	394589281	LCRQGWSEQBPOFY-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCc1cc2ccsc2c(C(F)(F)F)c1F	396293705	GSDLNTLLTFRMAD-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCCCc1ccc([C@@H](N)[C@@H](C)C(C)(C)C)cc1	399213073	VSJRZZHZLGULEC-CJNGLKHVSA-N	247.426	4.711	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC=CCC1)C1CCCCC1	402174242	VKCVMQNFSZUDMZ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC(C)(C)C1CC1)c1ccccc1	405713912	LIUYPEYNOOSTSJ-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC=CCC1)CC(C)(C)C1CC1	405730172	LMZGHXVAWZPWDH-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCNC/C(=C/C1(CC)CCC1)C1CCCCC1	686138936	RHMBLIQFFGPRFP-SSZFMOIBSA-N	249.442	4.683	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)c1cccc(C)c1C	696245856	AAISLQKIUHKLGE-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCCCCC[C@]1(N)C(C)(C)[C@H]2CC[C@@]1(C)C2	704459338	LCMXLBDIKZLTFF-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@@H]1CCCC[C@H]1C	704852868	XKMYVFVTUBMXNK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CCCC(C)(C)C)c1ccsc1	704959461	MEHBXUAKLJTWNJ-CQSZACIVSA-N	239.428	4.529	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H](C)CC(C)(C)C	709078730	KZLRZXPNJJHRLE-UKRRQHHQSA-N	227.436	4.747	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@]23CCCC[C@H]2C3)cc1C	709115982	VLVKEHUMSMDFCZ-HLLBOEOZSA-N	243.394	4.684	0	10	BJAE	
C[C@H](C[C@H](O)[C@H]1CCCC1(C)C)CC(C)(C)C	709129458	UANVGERFYUGXFG-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C[C@]1(N)CCC12CCCCC2)C(C)(C)C	710753537	MYONPFKWERRXPV-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC1(O)CC(c2ccccc2)C1	711294262	IUNKMCKNRGCWQV-UHFFFAOYSA-N	246.394	4.512	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H](C)CC(C)(C)C	713233298	MMQWMYBRTVCOOL-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C\CCc1ccc(C(F)(F)F)c(F)c1	713642562	DSVTZFJJMBNPCA-ARJAWSKDSA-N	244.231	4.519	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@@H]1C[C@H]1CC(C)C	713667941	IRPCVOJKMILIFV-WUOOCDQJSA-N	249.442	4.559	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@@H]1CCCC1(F)F	713934686	GGPPVSKGCLPVEZ-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
CC(C)(C)CC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	714497082	BYKINROTSSSQKP-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CCCC(C)(F)F	718584967	PSAGBHXDEHRHDP-GXTWGEPZSA-N	248.357	4.533	0	10	BJAE	
C[C@H](NC[C@@H]1CCCCC1(C)C)c1ccccc1	1168765835	MYFVCZUORZPWSL-HOCLYGCPSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CC[C@H](SCc2ccccc2Cl)C1	1656451584	DZPOVXQCGMFQFN-JQWIXIFHSA-N	240.799	4.762	0	10	BJAE	
CCSCc1ccc(N[C@H]2CC[C@@H]2CC)cc1	1659811997	BWUGTUQKHOPTQF-ZFWWWQNUSA-N	249.423	4.540	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CCC(CC)CC	1900703995	OLIJDWGGNQHJDF-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
C/C=C/CCCc1cc(F)ccc1C(F)F	1900771194	XNWWOVYFTPNLOI-NSCUHMNNSA-N	228.257	4.662	0	10	BJAE	
CCCCCC(=O)C[C@@H]1CC[C@@H]1C(C)(C)C	1902747253	VTJAKJZQFRKDFF-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
CCCCCc1nc([C@H]2CC23CCC3)cs1	1903455786	GNIJDGZGKQGYMW-LLVKDONJSA-N	235.396	4.533	0	10	BJAE	
CCCCCC[C@H](CCC[C@@H]1C[C@H]1C)NCC	1908554431	IXZFILPGBBEDTB-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC=CC[C@]1(CNC(C)(C)C)CCC[C@H](C)C1	1912087858	FFLNNIWVNUGWOW-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
NC1(CC2CCC=CCC2)CC2(CCCCC2)C1	1912613644	JIZCIOLGKBOHHM-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CC[C@H](CN[C@@H]2CCC3(CCCCC3)C2)C1	1915865891	GRWLAYAYPRDMGL-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)CC[C@@H]1CC(CC)CC	1916013616	HOCCAGWYNUTBIY-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H](C)CC(C)C	1919961698	SBGIZHHYIXTEEI-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
CCN[C@H](CC1CC(C)C1)C1=CCCCCCC1	1925118932	DSUOXKDRNOQQND-VMBOVVBDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC)CCC[C@@H]1C=CCCCC1	1925944630	FQWGRSFTJMHBAF-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CC(=O)CC1(C)CCCCC1	1926174339	DWCBEIVYAYEUSJ-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC(CC)C[C@H](N)CC1CCC(C)(C)CC1	1926386120	JLTNLDOBFLCSMT-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1cscc1CC	1938825820	KHOQPCOCUXLHOB-BXUZGUMPSA-N	239.428	4.527	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](N)CCCC1(C)CC1	1941263624	DFBCSYNSFGDQHR-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CCCC1(C)CC1	1941687404	KBMRRSKZNWRSEN-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H](C)CCC(C)C	1942663149	OYONIUVDTROOAW-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1C[C@@H](C)C[C@H](C)C1	1944199488	NOFFGCDXUZOROH-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC1CCC2(CCC2)CC1	1944600411	QDIBKBAWWFZSCF-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)C1CCCCC1	1947468206	NLYVALPRSDTHPM-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(O)C[C@H](C)CC(C)(C)C	1947514954	JIPUHHDDSCOAMG-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1N[C@H](C)CCC(C)(C)C	1947525533	OZMDLIHVSYKJPZ-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)c1ccc(C[C@@H]2C=CCCC2)cc1	1947552313	NLRGBDOEUHXYAH-CQSZACIVSA-N	228.379	4.883	0	10	BJAE	
CCCN[C@H](CCC(F)(F)CC)C[C@H](C)CC	1947893023	UYDUDMJFYGMAAA-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H](C)[C@@H](C)CC(C)C	1948333361	RXWQAEJFSJQNRR-JONQDZQNSA-N	241.463	4.862	0	10	BJAE	
CC(C)NCc1cc(C2=CCCCCC2)cs1	1950104223	FBCBIODLOAUXGV-UHFFFAOYSA-N	249.423	4.594	0	10	BJAE	
CC(C)=CCC[C@@H](O)[C@@H]1CCCC(C)(C)CC1	1950915364	ZVLTXTXCPFQMIC-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCCC[C@@H]2C2CC2)C1	1963181191	AUNBNOUZSNKKIF-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)CN1[C@@H](C)C[C@@H](C)C[C@H]1C	1963229779	UGCKYNNFDLRWBS-QKPAOTATSA-N	239.447	4.712	0	10	BJAE	
C1CCC(CN[C@@H]2CCCC3(CCCC3)C2)CC1	1966036464	XTHZVUCSVIJURW-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
C(CCN[C@H]1CCCCC12CCC2)CCC1CC1	1966434659	PHALUIDHDSBBSS-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
C1CCC(CCN2CCCC3(CCC3)CC2)CC1	1967755262	CWACWILMLXCSQB-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)CCCC(C)C	1968312746	PORAZDZIUGBSRW-CYBMUJFWSA-N	237.362	4.761	0	10	BJAE	
CCCC[C@@H](CC)CN1CC(C)(C)CC[C@H]1C	1970777201	CWQCNANNKFWQIQ-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](C)CC[C@@H](NCC)c1cccs1	1980692488	NCOWUPUNRNKBIX-QWHCGFSZSA-N	239.428	4.615	0	10	BJAE	
CCC[C@@H](N)CCC[C@H]1CC[C@H](CC)CC1	1989816159	ISMXUKNWTDYVNN-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H](C)CC)CC1	1989838776	LNQHXNBEXURBLF-HSBZDZAISA-N	224.388	4.598	0	10	BJAE	
CCCC[C@](C)(O)C[C@H]1CCCC(C)(C)C1	1994036022	FCERTXKOCMVWBP-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](NCCCCC1CC1)C1(C)CCCCC1	1995986479	FMFMRTXZGFJFNM-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](Nc1ccccc1Cl)C12CCC(CC1)C2	1995987085	HUXWTBLRCAUGDR-XIKARTHZSA-N	249.785	4.721	0	10	BJAE	
CCC(CC)CN[C@@H](C)C1CCC(C)(C)CC1	1996552825	NDKZNPZMINIFOS-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1cccc2ccsc12	1996611024	PIHVEKIELOBTGN-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@]1(C)CC=CCC1	1997544449	RNZRMDDDKFJIMB-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2CC=CCC2)CC1	1997604820	RMUDHYXKZNNGIM-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC(C[C@@H](O)CCC2CCC2)CC1	1998047783	PCSOBMUEBMSSLW-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H]1NC1CCCCCCCCC1	1998738812	NQXJZSNZMVSPRJ-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1ccc(C(C)(C)C)cc1	1998753347	UZCQXWAJQRZGCI-SWLSCSKDSA-N	231.383	4.585	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C1(C(C)C)CCC1	2000390247	LORPGTBMPBRPJR-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@@H]1CC[C@H](C)C1	2000515059	YLLAYGHQOYLOLO-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)CC1(C)CCCCC1	2000908636	ALDWENQCYMIRNW-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@H](C(F)F)C(C)(C)C	2002433927	AQRZLNDMNLVOQV-GHMZBOCLSA-N	248.357	4.555	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H](C(F)F)C(C)(C)C	2002437039	YQZGWKDDQUCGNV-NSHDSACASA-N	248.357	4.699	0	10	BJAE	
CCCC1CCC([C@@](C)(N)C[C@@H](C)CC)CC1	2002924278	HKNQNAWRRIWOPY-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC([C@@](C)(N)C[C@H](C)CC)CC1	2002924279	HKNQNAWRRIWOPY-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC([C@@H]2CCCCCC[C@H]2O)CC1	2003101682	XRRNLWSWGJHVJV-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@]1(C)C=CCCC1	2003333856	HGNUHPKIIJHCTC-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@@]1(CNCC)CCCC12CC2	2005562173	YVULSNBRSDTILD-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CC=CCCC[C@@H]1CCCC[C@H]1CNC(C)C	2009617490	SSDLOBJAHSAOTR-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N)([C@@H]2CCC[C@@H](C)C2)C1	2009792186	VQSPXRFFWPNTNY-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@](C)(O)CC1=CC[C@@H](C(C)(C)C)CC1	2010714788	RSUOCTCKYNWTDN-ZBFHGGJFSA-N	238.415	4.556	0	10	BJAE	
Cc1ccc(Cl)cc1NCC[C@]12CCC[C@@H]1C2	2010994589	HQAIVTZPCQTGIG-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CC[C@@](CCC=C(C)C)(CNC1CC1)C(C)C	2012412694	PFHIPEXAKNQXOJ-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H](C)CNc1ccc(C(C)(F)F)cc1	2012750187	UHLMDRULNPPZCZ-NSHDSACASA-N	241.325	4.502	0	10	BJAE	
CCCCC1CC(N[C@@H](CC)CCC(C)C)C1	2013274743	TYSASBDSLVPPTN-PCKAHOCUSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CCC[C@H]1C[C@H]1C	2013307394	VSLPJOHLMGECDW-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
CC(C)C(C[C@H](O)CCC1CCCC1)C(C)C	2015275411	POGPLTHZQFUQFY-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H](C)C(C)C)NCC	2015279240	VPLFBRGAWMKSFK-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(CC[C@@H]1C[C@H](C)CCC1=O)C(C)C	2015386694	FCTXXPDFQFJJDT-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@]2(CN)CCCC2(C)C)CCC1	2015643700	FOUZWNBZEJAQFW-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC(C)CC1(C(=O)[C@H]2CCCC(C)(C)C2)CC1	2015745525	LHOFBLOKLPQOSI-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)C1CC=CC1	2016344391	SEHDRIVQFIWCDO-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC(C)C1(C[C@H](O)[C@@H](C)CC(C)(C)C)CCC1	2017118493	HVIWACWQQSYOJP-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
CCC1(CC(=O)C2(C(C)(C)C)CCC2)CCC1	2017132451	DUTUSDRXYYWUMN-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)C1(C(C)(C)C)CCC1	2017158922	PHXQQGNYJZUEGY-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
C[C@](O)(C[C@H]1CC[C@H](C)CC1)C1CCCCC1	2017650339	GAKZUNVWFUULEY-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@H](O)C2(C)CCCC2)CC1	2017651284	RLTDDOMEKLJGOT-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)CC(CC)CC)CC1	2017663369	SAWANFCNZYYPDW-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CC[C@H](CC)CC1)NC	2017722675	QURWLIPALPCDJS-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)C[C@H]1CC[C@H](C)CC1	2017723064	IPKJTCNTJQYZBZ-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC(C)(C)C[C@H]1C	2018073677	AHVGQNMRVVGLFY-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@](O)(CC)CC1CC2(CCC2)C1	2018131633	PFWPIGODWIPUCI-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)[C@@H]1CC[C@@H](C)[C@H](C)C1	2019127956	WFNCPMAGNFKQLG-APIJFGDWSA-N	239.447	4.568	0	10	BJAE	
CCC(CC)N1CCC[C@@H]1C1CCCCCC1	2019297760	OXOYEQNWRLVMTA-MRXNPFEDSA-N	237.431	4.610	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@H](C)C1(C)CCCCC1	2019387836	YZNCVSCWJFFCBL-SOUVJXGZSA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@H](NCC)C1CCCCCCC1	2020966492	OKYYICKXVCVAQH-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H](C)C1CCCC1	2020969131	YTNGYEIHTCIFSB-XJKSGUPXSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCC)C1(C)CCCCCC1	2020971787	NZODCDGZUUVOPI-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(NCCCCC(C)(F)F)cc1C	2023290447	QIZWIALYTHMGPX-UHFFFAOYSA-N	241.325	4.541	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@H]1CCCC(C)(C)C	2023606052	FZXYJEMPTQGHDD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@H](C[C@@H]1CCCC(C)(C)C1)NC	2024096865	WHEBSFGGTCZZPR-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C(=O)C[C@H]2CCCC(C)(C)C2)C1	2024100316	BNYAFIVAIXQLPW-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1CCCC(C)(C)C1	2024102123	PWTZNVFCCAHTRM-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@H]2CC=CCC2)C1	2024102425	SIDWCOQXLJOTNU-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
Clc1cccc2cc([C@@]34CCCC[C@H]3C4)[nH]c12	2024287746	VHPUQQRUPWSPHD-XHDPSFHLSA-N	245.753	4.653	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1C[C@H]1CCCC(C)(C)C1	2024605210	JHSLMMSQVUDQRJ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H]1CC[C@](O)(CC2(C)CCCCC2)C1	2025571267	UCIWKVZZRPGILW-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1C[C@H]1CCC	2026078328	COFJFVMSPZYPNG-RRFJBIMHSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@H]1C[C@H]1CCC	2026170682	RMEAJYPLOKEQOG-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@H]1C[C@@H]1CCC	2026170684	RMEAJYPLOKEQOG-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCc1ccc([C@H](N)CC2(C)CCCCC2)cc1	2027313987	LMWFLRYWCMCAPW-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CC1(CCC[C@H](O)c2ccc(C3CC3)cc2)CC1	2027834051	SDXMMSITHLGWOI-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCCc1oc2c(C(C)(C)C)ccc(C)c2c1O	2028130965	NPVJUPZUAJESIK-UHFFFAOYSA-N	246.350	4.697	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]21	2028758033	PLACETOYWUFICS-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)[C@H]1CCCC1(C)C	2028872434	FXSOPPCBCLVNRY-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)[C@@H](C)CC(C)C	2028932154	ZXIVDFUNXAJMFH-AWEZNQCLSA-N	246.394	4.750	0	10	BJAE	
CC(=O)CC(C)(C)c1ccc(C2CCCC2)cc1	2031746455	MYCZPISYXIMEIG-UHFFFAOYSA-N	244.378	4.601	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC1[C@H]2CCCC[C@H]12	2032774567	CTHHKUVTXBAAQZ-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCC[C@@H]1C1CC1	2035414614	XHYKMFXWDRDCIN-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc(C2CC2)cc1	2035422985	LYNZHWIALOGYRW-NVXWUHKLSA-N	243.394	4.945	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCC2)CCC[C@@H](CC)C1	2035586396	ACJVVHZKDJUHDF-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCC1([C@H](N)c2ccc(C(C)(C)C)cc2)CCC1	2037092666	PNDZTXXTCSHARN-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CC1(C)CCC[C@@](N)(CCC2=CCCCC2)CC1	2037171898	PIQRONAIPZZBBL-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC(C)NCC1([C@@H]2CC[C@H](C)C2)CCC=CCC1	2037698048	LHXQQPGFEGHRLP-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CC2CC3(CCC3)C2)C1	2038083846	UGCYQRJJIPGXMF-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(CN)CC23CCCCC3)C1	2039000433	SBPFVUVXELTIGR-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H]([C@@H]1CC=CCC1)[C@@H]1CCCC[C@H]1C	2042015551	BDLUVZZGUUNSBX-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CCC(C)CC1)[C@H]1C=CCCC1	2043186931	IJSKIAAHYCSJET-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@H]2CCC=CCCC2)C1	2045309249	ZIGVSYDZFKERSS-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H]([C@@H]1C=CCCC1)[C@@H]1CCCC(C)(C)C1	2045515946	GPYAJSCMZKMDJD-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCC(=O)c1cccc(C2(C)CC2)c1	2045569557	PHRKRTPFHBQGJZ-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
C[C@@H](C[C@H]1CC12CCCCC2)C1CCC(N)CC1	2047020507	QCSZMCMCSRYQCU-UIDBIOKJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@H]2CCC3(CC3)C2)C1	2049858875	PXLNYOJMOZIJKA-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@]1(C[C@@H]2CCC3(CC3)C2)CCCCCN1	2049863667	HPKCMWFBNQIUAB-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2[C@H]3CCC[C@H]32)CCCCCCC1	2052479952	QHMYYTKILDNGMC-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC2CC2)CCCC12CC2	2053356952	GOEACBASFUAEBJ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)CCC1CC(C(C)C)C1	2056672977	FPOAWTDWEYNXIZ-UHFFFAOYSA-N	244.378	4.640	0	10	BJAE	
CN[C@@H](C1=CC[C@H](C)CC1)C1CCCCCCC1	2060926576	RYHDXULAKMELGR-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)C1CCCCCC1	2060926725	SRVLCFZDHKAKSY-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CC[C@H]2CC2(C)C)NC)CC1	2061138942	BFDCFKVSBCKBDL-KBMXLJTQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](CC)CC1)C(C)(C)C1CC1	2061141085	SBDZDUJEHPCRQK-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C[C@]12CCC[C@H]1C2	2061615563	GPXBEYNKQZHLEM-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C1CC(=C2CCC2)C1	2061645157	VQQQEROEXPEAPQ-QGZVFWFLSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](CC1CC(=C2CC2)C1)[C@@H](C)C(C)C	2061729791	AHGSOCLNNLBKMG-GUYCJALGSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@@H]1CCCCCC12CC2	2062021779	XVOQZVRYZFUFND-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCCNC23CCCC2CCC3)CC1	2063905811	QIZJPFVSOYWULV-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC[C@H](C)CC2)n1	2066348153	YULZBTVYQBMCMW-KBPBESRZSA-N	246.398	4.586	0	10	BJAE	
CC(C)c1ccc([C@@](C)(N)C2(C)CCCC2)cc1	2067530187	OJJJAIQUAUMDPP-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCC1(C[C@H](N)CC(C2CC2)C2CC2)CCC1	2069336611	BIXISVSWVATVOX-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CCC3CC2C3)cc1	2069347684	NNYIGRUJHLRUHE-HEAFNYJSSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](C1CCCCC1)C1(CC2CC2)CC1	2069510948	IIQLYPURBCTLHY-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)C2(CC3CC3)CC2)CC1	2069513890	GOLLAFSPPJAWFG-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1C)C1=CCC(C)(C)CC1	2071510946	LLHHQNBNFMXZOF-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CCC23CCCC3)CCC1	2071941460	UCLVZCDBBSQJKM-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1(C[C@@H](N)[C@H]2CC23CCCCC3)CCC1	2071945338	FQXBFDMMTDBMCV-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCC=CCCC2)CC1	2072798719	MBSDNGIOYIOCMS-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@]23CCCC[C@@H]2C3)CC1	2074647592	ZCBALMZILJWGJY-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCCC3(CCC3)CC2)C1	2074892892	QGSIYWVEJLPTIM-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC1(C[C@H](N)[C@H]2C[C@@H]2C2CCCC2)CCCCC1	2079437024	YZDUGKDWVIVNAS-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1cccc(C2CCC2)c1	2079477449	UAPFBTQYDIEEBU-HOCLYGCPSA-N	242.362	4.573	0	10	BJAE	
CCC[C@H]1C[C@@H]1C[C@@H](N)c1ccccc1C(C)C	2079886667	PYJUOJJQWXNYKS-JJRVBVJISA-N	245.410	4.636	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C2CC(=C3CC3)C2)C1	2082984546	BUFPEVDAUGQFCJ-GFCCVEGCSA-N	246.394	4.662	0	10	BJAE	
c1cc(CC2CC(=C3CCC3)C2)c2cnccc2c1	2125732394	BGBQMGFCXZNZQE-UHFFFAOYSA-N	249.357	4.668	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H](C)CC(C)C	2212627146	GONZIDVBKYKCTO-LLVKDONJSA-N	239.790	4.749	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](CC(C)C)C(F)F	2213850322	DAPWWTJCQIWZKT-STQMWFEESA-N	249.389	4.615	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](CC(C)C)C(F)F	2213850375	DSQAPUCSEFRRFD-CHWSQXEVSA-N	249.389	4.615	0	10	BJAE	
CCN[C@H](CCCCC1CC1)CCCC1CC1	2214562493	IKDMKEAICSBYQR-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CC2(C)CC(C)(C)C2)CC1	2215434855	UJMYTRUTGHJUNY-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCCCC(F)F)CCCC(C)C	2216431350	XVOJNESPHYUQJN-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CC(C)(C)C)CC=CCC1	2217124241	FSTLKYSRKCNZTK-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@]1(C(C)C)CCCCC1(C)C	2217127737	XAYFHVYJFLVZOP-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C[C@@H]2CC=C(C)CC2)C1	2221609755	MLEUVUFVSKBPMK-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@H]1C[C@H]2C[C@@H]1C2	2223119814	GDKSSAXLJOQSJJ-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC2CCCCC2)C=CCC1	2223590302	VZIVYYBYRNTGRF-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1ccc2occc2c1	2224133344	VLRWKEJMQQFQAO-MRXNPFEDSA-N	246.350	4.683	0	10	BJAE	
CCCc1ccc(CC2=CCCCC2)cc1	2243239874	YFQZKPAPZYBCLT-UHFFFAOYSA-N	214.352	4.682	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cscc1C(F)F	2244785674	QZMCGEAYBKIRTD-KWQFWETISA-N	247.354	4.512	0	10	BJAE	
CC(=CCl)CNCC[C@H](C)CCCC(C)C	2244870675	ZUFSJRLBVPHLLN-CYBMUJFWSA-N	245.838	4.571	0	10	BJAE	
CC(C)=C(C)CCc1cnc(C(C)(F)F)s1	2245225090	VKOBMYJOIBHVFE-UHFFFAOYSA-N	245.338	4.544	0	10	BJAE	
CC1CC(C)(C[C@@H](O)CCC2CCCCC2)C1	2246443942	OSXBDXKCVQIKSR-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C[C@@H]1CCCCC12CC2	2246603429	QYGNPSZFOZSLCJ-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCCCC23CC3)s1	2246617585	NANAZIGIQYEKAH-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@@H](N)C2(C)CCCC2)C1	2246657642	UJSOOUCJAKGLRE-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCC[C@@H](N)C1(C)CCCCC1	2247162294	GMLPXRUMJODUDY-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@@H]1CCC12CCC2	2247444756	ZNVSMQMULVSHJU-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)[C@@H]1CC12CCC2	2248308926	PIIFAJYCHQMOHO-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCCC(=O)Cc1cc(C)c2sccc2c1	2248638058	NYNXZSDPMKFTPV-UHFFFAOYSA-N	246.375	4.512	0	10	BJAE	
Cc1cc2nc(C3CC3)cc(Cl)c2c(C)c1C	2249499858	AHBJGWUOEVWKHF-UHFFFAOYSA-N	245.753	4.691	0	10	BJAE	
CCC[C@H](CC)CN[C@@]12CCCC[C@H]1CCC2	2250385538	GWFNUDMJFBBNAR-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCC1([C@H](O)CC[C@@H](C)CCCC(C)C)CC1	2250475392	KBBWKPJLUANMJI-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)c1ccoc1	2250480256	DVGZABBPFXIVNA-ZFWWWQNUSA-N	237.387	4.522	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@H](C)CC1CC1	2250489164	VZFUDUADASNOEY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@](C)(CC[C@@H](C)CCCC(C)C)C(=O)O	2250494236	ABDNOBKUKMRIQJ-DZGCQCFKSA-N	242.403	4.730	0	10	BJAE	
CCCCCC[C@H]1CCNc2ccc(F)cc21	2251637440	RMMZXQBGNNGEAA-LBPRGKRZSA-N	235.346	4.695	0	10	BJAE	
CCCN[C@H]1[C@H](CCC(C)(C)C)CCC1(C)C	2251713094	QNHYQONHGCCLEG-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1CC(C)C1)CCC(C)(C)C	2251755817	UVQJUOFLWDWKGT-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCN(CCCC[C@@H]1C[C@H]1C)c1ccccc1C	2254579303	CYLHUQRVBMGEBU-HZPDHXFCSA-N	245.410	4.648	0	10	BJAE	
CCN[C@H](C[C@H]1CCC12CCC2)C1(C)CCCC1	2254820340	AWDVZEQQSCCUGE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC2=CCCCC2)CCC1(C)C	2255135293	ADMJZSHHYNVAQK-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC[C@H]1CCCC12CC2	2255252506	AUVKRFYIDORJHK-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)CC[C@H]2CCCC23CC3)C1	2255283305	XRTJQHRPQZPYJZ-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)Oc1ccc(C(=O)CC)cc1	2258892567	UYYBROOXOZEPEH-CQSZACIVSA-N	248.366	4.627	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cc(C2CC2)ccc1F	2259126530	NEZFRWDUTDBPSP-XHDPSFHLSA-N	247.357	4.694	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@]12CCC[C@H]1CC2	2260588075	QKYRAIWLDDQJHS-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CCNCC1(C[C@@]23CCC[C@H]2CC3)CCCCC1	2260651678	MNSAMGFKLUNVFJ-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@H](C)CC1CCC1	2298921835	YACFEQGEYXJEOP-FVQBIDKESA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H]([C@H](C)CC2CCC2)C1	2298931820	CVRUXAQKAHUHEB-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
Clc1ccc2[nH]c(CC3CC3)c(C3CC3)c2c1	2300210891	GMIFMWAFGHLWNQ-UHFFFAOYSA-N	245.753	4.651	0	10	BJAE	
CCC(CC)CC[C@H](NC)C(C)(C)C(C)(C)C	2300683230	HMMDXDQHHWQLOC-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CCNC[C@@](CC)(CCC(CC)CC)C(C)C	2300694877	LFQVBIOCEXHGGZ-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1C(C)=CCC[C@H]1C	2300699036	CUXPCBVUJXISPV-CZUORRHYSA-N	236.399	4.764	0	10	BJAE	
CC(=CC[C@@H]1C[C@H](C)CCN1)CCCC(C)C	2300876114	CKTQXACIVKRJAI-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@H]1CC[C@H](CC)CC1	2300895831	BJLCRKGZDVLWSK-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
N[C@@H](CCC1CCCCCC1)CC1CCCC1	2301148001	PLRRCCODMBQUPE-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)NC(C(C)(C)C)C(C)(C)C	2301836972	PZAJCXANIOQJAH-CHWSQXEVSA-N	241.463	4.717	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@]1(O)CCCCCC1(C)C	2301868520	DOIXISDPMMDEJI-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H](C)C(C)(C)C	2301908399	RXMPDZWLVTYWDD-LLVKDONJSA-N	237.362	4.796	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@H](C)[C@H](C)C(C)C	2301951701	CAGONINJAQCECR-IIAWOOMASA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)CC[C@H](CCC[C@@H]1C[C@H]1C)NC	2302613843	VZQOJRYGWLAPMA-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@]1(CNC(C)(C)C)CCC(C)=C(C)C1	2303585392	WBHFHKCWYHYWGX-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CNc2cccc(C)c2)CC1	2303591622	BTOJLYLLGMTBDE-OAHLLOKOSA-N	229.367	4.543	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CCC(C)=C(C)C1	2303593096	SIWDFLVSKIJNCZ-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCCC[C@H]1CC	2307832668	VLWXHJMRHCDWCB-ARFHVFGLSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](CC)CCCC(=O)c1ccccc1	2307891882	BAZWRNZZKNONDY-CQSZACIVSA-N	232.367	4.866	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309142095	ZYBLRVSKBQZYSJ-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@@]12CCCC[C@@H]1C2	2311129065	ACFZNFNGCHHUQE-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)CC[C@@H]1C[C@H]1C	2311275617	DIBOZHMAVUKYMO-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312938949	DRZKUDQRCGSBCC-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C[C@@]23CCC[C@@H]2CC3)CC1	2313319774	CVXQFMUTURONEO-MPTYRVRUSA-N	248.410	4.742	0	10	BJAE	
CCC1(NC(CC2CC2)CC2CC2)CCCCC1	2313613092	SIRYPOHZKXRCHO-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
NC(CCC1=CCCCC1)(CC1CC1)CC1CC1	2315440664	WBINLCMZAZWMPL-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
Cc1cccc(F)c1C(=O)CC1CCCCCC1	2317011166	VGXLYLGZTLVBAQ-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H](C)[C@H](C)C(C)C)c1	2317907169	OCVQRMYOFYBOEJ-HIFRSBDPSA-N	246.394	4.723	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@]12CCCC[C@H]1C2	2317948617	PIHPLALESPWFHQ-RDJZCZTQSA-N	246.394	4.807	0	10	BJAE	
C[C@@]1(CNCCCC2=CCCCC2)CC=CCC1	2318514759	FWPKQBSAGGUYLR-QGZVFWFLSA-N	247.426	4.603	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@@]12CCCC[C@H]1CC2	2318933879	QWHQXTHUOJBEIU-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)C[C@@H]1CC=CCC1	2318937064	VMJCIIUBLBHDIE-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2CC[C@@H]2C(C)(C)C)c1	2320239732	HCRZLXHKTCHXPO-CABCVRRESA-N	245.410	4.788	0	10	BJAE	
CCCNC[C@]1([C@@H]2CCC[C@@H](C)C2)C=CCCC1	2326699159	KLTNUIJTZJRJEO-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)Cc1ccc(C)cc1	2328214566	YAOTZWNBXJCQIT-RDJZCZTQSA-N	248.410	4.505	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C[C@@H](C)c1ccccc1	2328283163	VHXBFKCCEWJPDK-HUUCEWRRSA-N	246.394	4.966	0	10	BJAE	
Cc1cc(Cl)c(Cl)c(Cl)c1Cl	2040072	ZLELNPSBDOUFHN-UHFFFAOYSA-N	229.921	4.609	0	10	BJAE	in-vitro
C[C@H]1CCC[C@H](Nc2ccc(C(C)(C)C)cc2)C1	20558527	YBXJPXGYSJJUQA-BBRMVZONSA-N	245.410	4.975	0	10	BJAE	
c1ccc(-c2ccccc2NC2CCCC2)cc1	21817517	OOUXJZRNYYEYJG-UHFFFAOYSA-N	237.346	4.708	0	10	BJAE	
CC(C)c1cccc2c1oc1ccccc12	34628455	IFIGYYUIGXGCJA-UHFFFAOYSA-N	210.276	4.709	0	10	BJAE	
C[C@@H](NC1CCC(C(C)(C)C)CC1)c1ccco1	35136920	ZTJXVFILNYLPCE-IYXRBSQSSA-N	249.398	4.535	0	10	BJAE	
CCCCCC[C@H](C)NC(CCC)CCC	37138915	LEKJNSFFVAULJN-AWEZNQCLSA-N	227.436	4.904	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ncccc1Cl	71137492	QITNLONGXYZENG-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CCc1ccc(NC2CCC(C)(C)CC2)cc1	75168178	DULSFGWWHOOHBX-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CSc1ccccc1N[C@H]1CCC[C@@H](C)CC1	86882025	OWNOWIQIOXSLCI-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
CCCCCC[C@H](O)c1csc2ccccc12	87179308	PKMSJURSJUMKPB-AWEZNQCLSA-N	248.391	4.905	0	10	BJAE	
CCCN[C@@H](C1CCC(C)(C)CC1)[C@@H](C)CC	93188272	PKQMAMSRZQKEOT-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](NC)c1ccc(CCC)cc1	97468234	XXVPGAIEHHCNJV-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
Cc1c(C)c(C)c([C@@H](O)CC(C)(C)C)c(C)c1C	109784650	PJQYKEIJXQLGDL-HNNXBMFYSA-N	248.410	4.698	0	10	BJAE	
CCCCc1ccc([C@H](C)NC[C@H](C)CC)cc1	109955133	DFVPRWQVFKIUMA-CABCVRRESA-N	247.426	4.726	0	10	BJAE	
CCCCCC[C@H](N)c1ccc2ccccc2c1	110462922	BIYSDHXHAUNQIP-KRWDZBQOSA-N	241.378	4.810	0	10	BJAE	
CCCCC[C@](C)(CNC(C)(C)C)C(C)C	127377595	PTKBPMNYEWAZFB-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccccc1C1CCC1	128299230	XSAWKTYCFQBVCR-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CCCCCC[C@H](N)c1cccc(CC(C)C)c1	131798989	JOVCEWHTHMXKSR-KRWDZBQOSA-N	247.426	4.855	0	10	BJAE	
CCC(CC)C[C@]1(N)C[C@H](C)CC[C@@H]1C(C)C	147954730	DZHBLJPPCKLRLF-FVQBIDKESA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H]1CCC[C@H](C)C1	148285261	BGCKFVRLYKTMRL-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CCCC(C)C)CC1	165690129	ZNCANAWMJSQCNT-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
C[C@H](CC(=O)c1cccc(Cl)c1)C(C)(C)C	167850608	VAQWVRDIJSWPIX-SNVBAGLBSA-N	238.758	4.595	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cccc(C)c1Cl	168036721	REFYSADPHDGQIH-SNVBAGLBSA-N	238.758	4.657	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C2(CC)CCCC2)C1	169175604	IXJDFYWWYRVVLK-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCc1cccc(N[C@@H]2CCCC[C@@H]2C(C)C)c1	214447120	UHVQZHPTSCJCDW-IAGOWNOFSA-N	245.410	4.876	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCCC[C@@H]2C(C)C)c1	214503532	AGNVXHMGSBQTRT-HIFRSBDPSA-N	249.373	4.761	0	10	BJAE	
Cc1cccc(F)c1NC1CCCCCCC1	224956497	WHVICBMINJHJQM-UHFFFAOYSA-N	235.346	4.659	0	10	BJAE	
CCCN[C@H](c1cccc(CC)c1)[C@@H](C)C(C)C	228848628	WDFQAEOTFDLKRE-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CCCC(CCC)[C@@H](NC)C1CCCCCC1	229145950	IJRMAJYYWSATQP-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCC1CCC([C@@H](O)CCCC)CC1	229179744	KEEHTWMVBZDWLA-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C[C@H](C)CC(C)(C)C	229746087	GJGIGLFNQGXMJQ-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](Nc2ccccc2F)C1	230765564	ICSVVYANLQIYTP-KBPBESRZSA-N	249.373	4.843	0	10	BJAE	
CCC(CC)(CC)NC[C@@H]1CC(C)=C[C@@H](C)C1	232879614	GQKIQMYIXDJUGY-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCC1(CN[C@@H]2CCC[C@H](C3CC3)C2)CCCC1	233013540	CVFFUOPFKDCCRJ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CCC[C@@H](C(C)C)CC1	251774501	IPSFTFHRJKYLRY-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1ccoc1Cl	300058510	CMSBWPRWTYAVRU-CMPLNLGQSA-N	243.778	4.539	0	10	BJAE	
CC(C)CCCn1ccc2cccc(Cl)c21	300085393	CEEGBUBUHJCFIF-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCC[C@H]1CC	300691561	WDYDVNBLVYLCKY-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
Cc1ccc(SCCC2CCCCC2)c(N)c1	302282357	UZFHHUOUPRXEMX-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCCCc1ccc([C@@H](N)[C@H](C)CCCC)cc1	302308233	FPGGZCBIFZIOPC-PBHICJAKSA-N	247.426	4.855	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H]([C@H]2/C=C/CCCCC2)C1	302403792	KEUDYEAISOGOLA-WCUAFRCNSA-N	248.410	4.764	0	10	BJAE	
CCCCC[C@H](NCCC)c1cc(C)c(C)o1	302421327	QZQHONRIBIZSMS-AWEZNQCLSA-N	237.387	4.517	0	10	BJAE	
CCc1csc2cc(Cl)c(Cl)cc12	306533051	CFEAGXAIQQTJLW-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
Cc1c(C(F)F)ccc2scc(Cl)c12	307112499	PUDNPFDOIHYSJW-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCOc1ccc2c(Cl)csc2c1Cl	307412890	GTPDDWLMPFGJJF-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
Cc1c(Cl)sc2cccc(Cl)c12	307530773	RPWPZHPTIIGVBR-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CC1CCC(C)CC1	308108050	XATLLRKHMGRDJH-QDIHITRGSA-N	239.447	4.602	0	10	BJAE	
CC1(CC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1	310822982	KCSCGTPQAAFMRO-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)c1ccc(C)cc1C	310894994	AAYCAIHOKAFEAH-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCC1CCC(CCC(C)(C)C)(CNC)CC1	316835845	FKCIVJCGLNNAEZ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@]1(O)CCCC12CCCCC2	319613397	XQIVTASKGBRKOY-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](N[C@H](C)CCC(C)(C)C)C1CCC1	322517810	IJXFFZHGZLDLHL-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2cc(C)ccc2F)CC1	328327158	GWFLWTHDTVVEJL-JOCQHMNTSA-N	248.341	4.533	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)[C@H](C)CCC	379763844	GHSXIAXPTQOLFX-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](N)CCC[C@H](C)C1CCCCC1	380163346	VIYGGCUAEABODV-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)[C@@H](C)CC(C)C	380865260	ULMOOALFSIIPLQ-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
Cc1ccccc1[C@@H](N)C[C@@H](C)C1CCCCC1	381010817	LTJPXDGWQBWWCI-PBHICJAKSA-N	245.410	4.601	0	10	BJAE	
CC[C@H](NC[C@H]1CC(C)=C[C@H](C)C1)C1CCCC1	382822519	PWSPYFKYQWSQEM-LXZKKBNFSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C)[C@H](CCCCCC(C)C)C(C)C	383384805	NBKNVYSULHEWGO-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@H](C)c1ccccc1	384332529	UXNSJXJBIFMBPE-YOEHRIQHSA-N	248.410	4.758	0	10	BJAE	
CCC[C@@H](C)C(=O)c1ccc2ccccc2c1C	384660380	BDEGZRKTJNDLQN-GFCCVEGCSA-N	240.346	4.767	0	10	BJAE	
Cc1cscc1N[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2	387244263	XQMSXPJLTINYIF-WHOFXGATSA-N	249.423	4.683	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)CCC1CCCC1	395065959	IFAJXNHCKLKOFH-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCc1cccc2sc(C(F)F)c(S)c12	396237331	IGOPTBNAVHLBRI-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
C[C@H](C(=O)CC1CCC(C)(C)CC1)C(C)(C)C	399184570	SOFRSPJMYNTIRQ-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CCCNC[C@@H]1CC[C@H](C)C[C@H]1CC1=CCCC1	400666289	UEDUJTZTTDCAMB-XIRDDKMYSA-N	249.442	4.539	0	10	BJAE	
CCCNC[C@@]1(CC2=CCCC2)CCCC[C@H]1C	401086385	RSPJXBIQECPZKH-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@H]1CCCC[C@H]1C	402347451	QKMYHFYJQPSXNC-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1[C@H](O)c1cccc(C(C)C)c1	688983512	OONNFGWZXUZVLT-IXDOHACOSA-N	246.394	4.526	0	10	BJAE	
CC1(CNc2cccc(C3CC3)c2)CCCCC1	690099847	VHSDJROSUDTPIA-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
Cc1nc2ccc(C3CCC3)cc2c(Cl)c1C	690294423	ICMOEQVUDHUTGJ-UHFFFAOYSA-N	245.753	4.773	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CCC(C)(C)C	691170731	WDDYFCMELAINBW-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)CC2CC=CC2)cc1	692092533	FEIJXDWWJUGYJL-UHFFFAOYSA-N	242.362	4.523	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@]12CCCC[C@@H]1C2	693158692	QKWWHPQZUMMFHF-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1ccccc1C(C)C	696266869	MGLCOSFSBUANBN-OAHLLOKOSA-N	233.399	4.636	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)CC1CCCCCC1	696571292	IHIBMKQNFWFGCN-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
C1CCCC([C@H]2CNCCC23CCCCC3)CC1	696855788	PCENASMGTOTLJG-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
C[C@H](CC1CCC1)N[C@H]1CCCC(C)(C)CC1	697578446	FDMXVBSMEMNVRD-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC(NC2C[C@H]3CC[C@H](C2)C3)CC1	697683494	PRTUGXRDKZLYHX-PYBGIAKNSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1OC[C@H](C)CC(C)C	699489190	IMJOMEJGQXCAEA-CQSZACIVSA-N	234.383	4.700	0	10	BJAE	
CCCC(O)(CCC)c1cccc(C(C)C)c1	701486348	VUCYVDVPDMUYBS-UHFFFAOYSA-N	234.383	4.598	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CCCC(C)C	707645235	XZXRQJVKYMIBOQ-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)C[C@@H](C)CC(C)(C)C	709071136	MKGVKDQLBUCVFG-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](C)CC(C)C)cc1	709119983	VUKYOSKCHPSXIE-ZDUSSCGKSA-N	232.367	4.504	0	10	BJAE	
C[C@H](C[C@H](O)CC1CCCCCC1)C(C)(C)C	710703147	NWMNEZFDSGDQIF-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@H](O)CCCC1CCC1)CC(C)(C)C	711169031	JUSYNSBHDQIYAD-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)c1cc(C)cs1	713659657	ADMWFONZGKUCKO-AFNCTOJWSA-N	249.423	4.620	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CCCCCC1(C)C	718700280	NXXUHDYFPMSDTH-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
C[C@H](N[C@H]1CCCCCC1(C)C)c1ccccc1	719255226	RIDBDDJWGJZFTI-HOCLYGCPSA-N	245.410	4.696	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)c1ccc(C)cc1	720351290	VIOKRQUQONDDSE-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CCC[C@H](C)N[C@@H](CC)CC1CCCCC1	720953755	HYXGJVMFWBIJSA-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CCC[C@H](CC)N[C@H](C1CCCCC1)C1CC1	724013323	ZLAQWQMGAAIXKN-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H](CCSC2CCCC2)C1	1307252568	GVCHDNCJDGURJW-STQMWFEESA-N	226.429	4.879	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CCC[C@@H](C)[C@H]1C	1652308591	BQPJABXUJJELBX-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CNC2(C3CC3)CCC2)CC1	1658592362	BYTBPAKCCOCQAR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCc1ccc(CCC)s1	1887749894	CGJZYTRVANULGL-UHFFFAOYSA-N	208.370	4.599	0	10	BJAE	
CCC(C)=CCc1sc(C)c(C)c1C	1888065293	BXXPPRNIWDOPSD-UHFFFAOYSA-N	208.370	4.572	0	10	BJAE	
CCCCCCc1sc(C)c(C)c1C	1889470237	MSKHHSGEWNTIFN-UHFFFAOYSA-N	210.386	4.796	0	10	BJAE	
Cc1cc(Cl)cc(O[C@H](C)CC2CCC2)c1	1899419515	QGRVRRPEXYLRCT-LLVKDONJSA-N	238.758	4.606	0	10	BJAE	
CCCC[C@H](CCCC(CC)CC)NCC	1900697658	QJBGGEPSUXXCJM-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)CCC(CC)CC	1900700061	BBCYNUFIVDFPMV-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CN(CCCC(C)(C)C)c1ccccc1Cl	1901209737	VVPZYXJRHNDZAC-UHFFFAOYSA-N	239.790	4.603	0	10	BJAE	
C[C@@H]1[C@H](CC2CC(=C3CCC3)C2)CC1(C)C	1901852459	SBOONALQWZHJMG-IAQYHMDHSA-N	218.384	4.949	0	10	BJAE	
CCCCCCc1cccc(F)c1C(F)F	1901885081	QJUWHMNJFWBTMZ-UHFFFAOYSA-N	230.273	4.886	0	10	BJAE	
CCCCCC(=O)CCCC1=CCCCC1	1901967181	RZXLAAAVIDIULF-UHFFFAOYSA-N	222.372	4.807	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)CCCCC1CC1	1902165738	OIQYNFQZIHTVOW-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CC(=O)C[C@H](CC)C1	1905431523	KRBYKUMVNTVMSC-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	1910661214	NXDYMXNIUVTLCO-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC1CCC(C)CC1	1919960493	ONHLAJHXEXVXCW-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCCC1)CC(C)(C)C1CC1	1925923599	NWGKFPHLKDQHBT-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)C[C@@H]1C=CCCCC1	1925924089	HQLLYCFTIMCLLT-KGLIPLIRSA-N	238.415	4.556	0	10	BJAE	
CC(=C(F)F)c1cc(Cl)sc1Cl	1927632854	DLNGZIIKUXJKNZ-UHFFFAOYSA-N	229.078	4.682	0	10	BJAE	
C[C@H]1CC[C@H](Oc2cc(Cl)ccc2Cl)C1	1934210623	XJESVMIMJZAZRX-WPRPVWTQSA-N	245.149	4.561	0	10	BJAE	
CCC[C@H](C(=O)CCCC1(C)CC1)C(C)C	1936205221	AJFNAENDDGGDFY-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)CC1(C)CCCCC1	1940406581	MRIMXFZIODGVHM-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)CC1(C)CCCCC1	1940417643	XUMPQGYXRDMYML-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC1(CCCC(=O)[C@@H]2CCCCC2(C)C)CC1	1940876140	KFXWEZTYJYBGDK-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CCC[C@H]1CC1(C)C)c1ccc(N)cc1	1940972473	BJAFWOCZGAPKEO-JSGCOSHPSA-N	231.383	4.589	0	10	BJAE	
CCCN[C@H](CCCCF)[C@@H](CCC)C(C)C	1941265503	VNPGKHUTVQFYFO-LSDHHAIUSA-N	245.426	4.567	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@H](CC(C)C)C(C)C	1941265806	YJJILAFPNFJFDM-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC(C)(C)C(F)F	1941607335	QUQRYGGDRJRHNG-NSHDSACASA-N	248.357	4.699	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1CCC=CCC1)NC	1941795981	VGAGDNZKEFFKCH-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C[C@H](O)[C@@H](C)CCC(C)C)C(C)(C)C	1942662921	YHQRAQNKYBMDBE-ZNMIVQPWSA-N	242.447	4.882	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC(C)C)CCCC1(C)C	1944477825	LWQANFORCHESSB-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C[C@@H](C)C1CC1)NC	1944517787	NXLLCLOKCRFBBE-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCCNCC(CC)(CC)C[C@@H]1CCC[C@H]1C	1944848734	HHVMECJSRQVCFA-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC1(NCCC2CCCCC2)CCCCCC1	1945604488	AUVGCOIUXZNCLJ-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CC[C@H]2CC[C@H]1C2	1947112872	PVWPZDZZZNRGPA-QXSJWSMHSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(C(F)(F)F)cc1C[C@@H]1C=CCC1	1947562359	OWNZTFMGPGPAFE-LLVKDONJSA-N	240.268	4.523	0	10	BJAE	
C[C@@H]1C[C@]1(C)CNC1CCCCCCCCC1	1947867285	TWQAXOCZJRNNNA-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCC(F)(F)CC)NC	1947993430	NRRKGSRMCGHKIM-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@H](CC1CCC(CC)CC1)NCC	1948427077	YSGPVBXWKDJBOW-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]3CC[C@H]32)c(C)cc1Cl	1948821263	RMZNSHHBHJFIKP-OUCADQQQSA-N	249.785	4.557	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)C1=CCCCCCC1	1948950602	HGYJWNGFKKCIDX-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)C[C@H](C)CC(C)(C)C1	1949046081	AMKPOLHGOFTTSN-CZUORRHYSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CCCC1(C)CC1	1949052416	AXCTVVCKUQJFCE-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CCC[C@H]2CC2(C)C)CC1	1949055414	QXBHXGNNBMMNBF-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)N(Cc1ccccc1)CC(C)(C)C(C)C	1953231315	QJAIRBMVBCRHJK-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC=CCN(C1CCCCC1)C1CCCCC1	1962721124	GJIYNVPAEKCKKV-UHFFFAOYSA-N	235.415	4.530	0	10	BJAE	
C1CCC2(CC1)CCCN(CCCCC1CC1)C2	1962785938	NNKCKRSCECGOHV-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CC(C)CC[C@H](C)Nc1cccc(C2(C)CC2)c1	1967831661	BCKITQGPJCRXQW-AWEZNQCLSA-N	245.410	4.975	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2CCC(C)(C)C2)c1	1968230978	YXQICAFGRMAJQC-AWEZNQCLSA-N	231.383	4.542	0	10	BJAE	
Cc1cccc(N[C@@H](C)CCCC(C)C)c1C	1968249287	BFBVQPGTZXPWAX-AWEZNQCLSA-N	233.399	4.930	0	10	BJAE	
Cc1ccc(N[C@H]2CCC3(CCC3)C2)c(Cl)c1	1968289238	KISWRJMEYTZMQK-LBPRGKRZSA-N	249.785	4.783	0	10	BJAE	
CCN(Cc1ccccc1C)[C@H](C)CCC(C)C	1968693596	RTJFXYDPRBKEIY-MRXNPFEDSA-N	247.426	4.642	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCC2(CCC2)C1)C1CCCC1	1970932542	LZZSCMUJLGZSHB-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCC1CC2(CC2)C1	1973086702	MZGRPLJDEBCJDO-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)CNc1nccc2ccsc12	1973163898	LIYHMBDZZUDZGY-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
O=C(CCCC1=CCCCC1)c1cccs1	1980693184	UJSYHNSGYGRLGB-UHFFFAOYSA-N	234.364	4.602	0	10	BJAE	
FC(F)(F)c1ccc(Cl)c(C2CC=CC2)c1	1981970202	QVQRZPUEXXVUSB-UHFFFAOYSA-N	246.659	4.792	0	10	BJAE	
C/C=C/CCC[C@](CC)(CCCC)CNC	1984635602	QZZALAOZCGCGPC-PXTSUWAFSA-N	225.420	4.539	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)C(CC)(CC)CC	1989669095	WPQLVIMTLJDREW-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H](C)CC)CC1	1989838777	LNQHXNBEXURBLF-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@H]1CC[C@H](C)C1	1996260814	RDJUNBLUYKEKEZ-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C1(C)CC=CC1	1997543663	KCYFJFNPLIWZBJ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C(=O)CC1CC(C(C)(C)C)C1)C(C)C	1998233891	AVFVUGKBFVZDFI-RUXDESIVSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@H](C)NCC1CC(C(C)(C)C)C1	1998237597	XONPTOOBASRBFS-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)CC1=CCCCC1	1998380268	MMVGTDYGTALAIG-CABCVRRESA-N	237.431	4.824	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1CCC=CCCC1	2000001842	QKQXYDHRJKUVNK-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CCCC1([C@H](CCC(C)=C(C)C)NC)CCC1	2000319641	JJOVVVSNWYQXGM-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)C[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2003015594	OGVWXLDBKJEDOZ-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC1=CCCCCC1)c1cccs1	2003686399	VDSWQWSKUDHTDU-CQSZACIVSA-N	249.423	4.679	0	10	BJAE	
CC(C)C[C@]1(CNC(C)C)CCCCC1(C)C	2005599279	YCVCLYMUBQKHBK-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](NC)C1(C)CCC(C)(C)CC1	2007690195	AFLRLWZJDUTGTI-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C=C1CCCC1)C(C)(C)C(C)(C)C	2007939633	JQVSKWKROFDARC-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC1(C[C@H]2CCC(C)(C)CC[C@H]2O)CCC1	2009406189	FKFLMHCOPSGFBX-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H](CCC)CC(C)C	2009628033	LUQCKNBIPVJPDM-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCCC1CC(Nc2cccc3ccsc23)C1	2009715250	BMXKPYWZCRZUHR-UHFFFAOYSA-N	245.391	4.892	0	10	BJAE	
CCC[C@H](C)C(=O)CC1CC2(C1)CC(C)(C)C2	2011846205	SSOBYYGUFDTCKS-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCCC(C)(C)NCCCC1CCCCC1	2013534393	AOAUZBCQVMGDGM-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
C/C=C/CCC[C@]1(CNCCC)CCC1(C)C	2014845610	GXFIUWSYIAQWDY-BIENSFFJSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](CCCC(C(C)C)C(C)C)NCC	2015409138	OIKPHWMWMTWMRW-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCN[C@]1(C)CCCC(C)(C)C1	2017619579	SUBHUJYVSXZAFJ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(O)C[C@H]1CC[C@H](CCC)CC1	2017774718	RWCLLRCWWZHNHO-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCCC[C@@H]1CC	2018083370	NWUMJUHMQLRPOB-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H]1CC[C@@H](C)C1	2018182962	KOLFHZNOOYLLEJ-OAGGEKHMSA-N	239.447	4.713	0	10	BJAE	
CCCC1(C[C@H](NC)C2(CC)CCCC2)CC1	2019006179	NDEIZLAWTKJCIT-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)N1CCCCC12CCCCC2	2019299061	FQPRECKVDXVUIV-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CC[C@@](O)(CCC1=CCCCC1)C1CCCC1	2019773095	ZFGJUYQFODJLES-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@H]1C[C@@H]1C(C)(C)C	2022520357	PZSMJKHPQGCPDJ-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C(=O)C[C@H]1C[C@@H]1C1CCCCCC1	2022552760	ACGAFSKHIXTWRW-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC1(C(=O)C[C@H]2C[C@@H]2C(C)(C)C)CCCC1	2022558751	ZBNKBQUOPRLOKS-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@](CC)(CC=C1CCC1)C(C)C	2023260647	QFYQOGOCBJUBKT-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@](O)(CCCCC(C)(F)F)C1CCC1	2023307667	UWKVPCDPQICGFZ-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC(C(C)C)C(C)C	2023335934	KYXVQCGNSZNWOS-OAHLLOKOSA-N	239.447	4.639	0	10	BJAE	
Clc1cccc2cc([C@]34CCCC[C@H]3C4)[nH]c12	2024287745	VHPUQQRUPWSPHD-NHYWBVRUSA-N	245.753	4.653	0	10	BJAE	
CCC1CC(CC(=O)C[C@H]2CCC[C@H](C)C2)C1	2025426735	KNTCKLFJPAXSON-LQULJDIASA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC1(CC)CCC1	2026148842	XJQYTCOIZSASKI-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CCCC1(C)CC1	2026169546	JDTRWGOPKMWEJN-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)c1ccccc1C	2027832881	RSODHMGCRBMWLZ-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)CCC[C@H]1CC1(C)C	2027844428	ZPBKWPSTDWFYJZ-GJZGRUSLSA-N	246.394	4.553	0	10	BJAE	
CC[C@H](C(=O)c1c(C)c(C)cc(C)c1C)C(C)C	2028253507	XLIWORNECGTMIY-HNNXBMFYSA-N	246.394	4.785	0	10	BJAE	
O[C@@H](CCCC1CCC1)c1ccc(C2CC2)cc1	2028494595	AOJQFZINVXMGJG-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CCC[C@H](NCC)c1ccc(C2CCCC2)cc1	2031750222	PUHNZMQTLRHGRE-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C(C)(C)C2CCCC2)c1	2032346489	NPRSXGGKRNVQLB-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CCC1CCC([C@]2(N)CC[C@@H]3CCCC[C@@H]32)CC1	2034255920	GIPIAMOUHQUBBB-SSNHOHEISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1N[C@@H]1CCCCC12CCC2	2035889674	DYUVYZNNEBTZJV-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC[C@@H]1C[C@H]1C1CC1	2037129525	DDUNTUQYVBKBFT-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1(N)C[C@H]2CCCCC[C@@H]2C1)C1CCC1	2037161121	WVDUTTXQHNZLAU-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@H]1C=CCC1)[C@H]1CCCC(C)(C)CC1	2039382001	VUDAHYZXKALBGJ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1([C@](C)(N)C2=CCCCCCC2)CCCCC1	2039842852	DZYBUTNJRVEBJB-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCc1ccc2[nH]c(C3(C)CCCCC3)cc2c1	2039846470	LWIREOKIKXUFJN-UHFFFAOYSA-N	241.378	4.952	0	10	BJAE	
C[C@H](NCC[C@@H]1CC=CCC1)C1(C)CCCCC1	2039873343	VOMBOSQIMXQLIV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@@H]1CC[C@H](C)C1	2040144469	BRYPTKWLSMLCSF-MPTYRVRUSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1	2041384030	RNQONMWJJNRVSC-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@]1(C)N[C@@H]1C=CCCCCC1	2041841126	DVUGLHXYYSLLJS-WBVHZDCISA-N	249.442	4.824	0	10	BJAE	
CC[C@H](NC[C@@]1(C)CC=CCC1)C1CCCCC1	2042068500	YECDJKXSTDUNOL-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H]1CCC2(CCC2)C1	2043603189	DBRAWDUUZZGWDP-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@@H]1CCC=CCCC1	2045308820	XBCKNPJIBHEMER-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C[C@@H]2CCC=CCCC2)C1	2045326757	QCXDSLIDCGQEDW-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2CC23CCCC3)CCCCC1	2047054068	AQKHDJVHMNEYIQ-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
N[C@@]1(CC2CC=CC2)CCCCC12CCCCC2	2047563258	YDESJFUJMHOBAU-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048386283	YNIVXSFJTRGKTD-DMRKSPOLSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC12CCC2)CC1(C)CC1	2048883844	YQEZVJPRJKPXPF-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C=Cc1cccc(C(C)(C)C)c1OCC(C)C	2049398689	KDJFLJDDWOYAPM-UHFFFAOYSA-N	232.367	4.662	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@H]2CC3CCC2CC3)CC1	2049637119	TZWRSUOARISSTP-OPKDVZQQSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(NC2CC[C@@H]3C[C@H]3CC2)CCC1	2049675611	NFPLXPIHZIOLEI-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc([C@@H](N)CCCCCCC(C)C)c1	2050459379	WPMFJYCKWPSVKK-KRWDZBQOSA-N	247.426	4.991	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCC3(CCC3)C2)CC1	2051600898	ZECTUJRGDYMSES-PCKAHOCUSA-N	249.442	4.658	0	10	BJAE	
CN[C@@H](C1CC2(CC2)C1)C1(C)CCCCCCC1	2052501526	XMNGJCNLDKBPOE-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(N[C@@H]2CCCCC23CC3)CCC1	2053325865	KKOLZJXWLKPZJA-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CC1=C(C)[C@@H](NC2CC(C)(C)C(C)(C)C2)CCC1	2055543399	YQYZYLHSHYECIP-HNNXBMFYSA-N	249.442	4.680	0	10	BJAE	
Cc1cc(C(=O)C2(C)CCC(C)CC2)ccc1F	2056539245	HMFGYFKDSSIDSX-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC=C(C)[C@H](NCCC)c1cc(C)c(C)cc1C	2056778143	WWOBPZKTIAAZKD-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C=C2CCCCC2)CC1	2056909270	BCYQZYQNZLTMGL-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C2(C3CC3)CCCC2)C1	2057609062	MMMKSCFZWIFEFP-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1ccc(F)c(C)c1	2059250242	ORHDZUCSPBSDEJ-NBUZRDOWSA-N	249.373	4.531	0	10	BJAE	
CCCCCC1CC(Nc2c(C)cccc2F)C1	2059397007	GQQSODHNLSSHDJ-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)[C@H]2CCCC(C)(C)C2)CC1	2061116322	PBMPOZSCJTZZSC-BPUTZDHNSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(N)(C2=CC[C@H](C(C)C)CC2)CC1	2061121804	JQCAEUKWBUFOEA-CKDBGZEDSA-N	249.442	4.667	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C[C@@]12CCC[C@@H]1C2	2061606357	LAWKQDITBBBRBS-INMHGKMJSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CC2CC(=C3CCC3)C2)CC1	2061681973	GGUHGEMHGXHDQR-DYVFJYSZSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC(C(=O)CC2CC(=C3CC3)C2)C[C@H](C)C1	2061708173	ZUJBXBHHCRHTFJ-VXGBXAGGSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCCCCC23CC3)CC1	2062008959	JRQQZWPDFNZSAH-RHSMWYFYSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1C(C2(N)CCC3(CCCCCC3)CC2)[C@@H]1C	2065892176	ITPCXUYSHMYCTA-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)c1ccccc1C	2065990373	MZCNVJIWPSMXNB-HZPDHXFCSA-N	247.426	4.860	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CC(C)=C[C@@H](C)C2)CCC1	2069268919	XQUWVEJLNNTSQI-UKRRQHHQSA-N	248.410	4.908	0	10	BJAE	
CC(C)CC1([C@H](N)C2=CC[C@H](C(C)C)CC2)CC1	2069521332	KEDAWDUWEPODKQ-GOEBONIOSA-N	249.442	4.523	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@]23CCC[C@H]2C3)CC1	2070966610	JGULHNGRPPWQBE-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1(CN[C@@H]2CCCC23CCC3)CCC1	2071931831	DRVOJNXCDKQXHR-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@H]1C[C@@H]1C)c1ccc(C(C)C)cc1	2072076702	OSXFEUHFWQSVBQ-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)c1ccc(C2CCC2)cc1	2072094117	HPDWKWJQFTUIKN-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@@]23CCCC[C@H]2CCC3)CC1	2072807949	BBOCXMJQTDHLMH-LUKYLMHMSA-N	249.442	4.515	0	10	BJAE	
C1CCCCN(C[C@@]23CCCC[C@@H]2C3)CCCC1	2074052590	WYAYDYWKKBSGES-SJORKVTESA-N	249.442	4.613	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC2CC2)(CC2(CC)CC2)C1	2074623229	GBSDMLOKHHEJBK-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CN([C@H]1C=CCCCCC1)[C@@H]1CCC12CCCC2	2074794166	FZNXYVZMRYSFEZ-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@@H](C)c1ccccc1	2074897930	ZBFHPEAAOLFNHZ-ZMSDIMECSA-N	245.410	4.648	0	10	BJAE	
CCC1(C)CCC(N(C)[C@@H]2C=CCCCC2)CC1	2075411337	UHCJFOIQUVTPEB-KLAILNCOSA-N	249.442	4.776	0	10	BJAE	
O[C@]1(CCC2=CCCCC2)CCC2(CCCC2)C1	2075721382	ORRZSXLDXSBNCZ-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C[C@@H]1C1CCCCCC1)C1CC1	2079487976	SVGGRZYJLMSGHG-WQVCFCJDSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(OC[C@H]2C[C@H]2C2CCCCC2)c1	2079803001	LUNOZHHVINBKLY-WBVHZDCISA-N	244.378	4.590	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)C)c1cc(C)cc(C)c1C	2082919670	SCZAAGQGVFIPJN-CXAGYDPISA-N	247.426	4.555	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)CC2(C)CCCC2)c1	2082930086	MXUQPRDKZIINHS-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CCCC1(CN2[C@H]3CC[C@H]2CC(CC)C3)CCC1	2084420487	NFMDGNLFIUIKTE-HOTGVXAUSA-N	249.442	4.610	0	10	BJAE	
c1cc(-c2ccc3c(c2)NCCC3)cc(C2CC2)c1	2088947311	HBRJMJKRNKAZMH-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CCC[C@@H](C)[C@H](O)CCCCCCC1CC1	2210526790	JIVGWXQYABQPPR-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@](CC)(CCC)CNC1CCC1	2212576121	JFKFOKJVNYTPIY-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
NC[C@H]1CCC[C@@H](CCCCCCC2CC2)C1	2213573199	FHVQSGKJSTXSEG-CVEARBPZSA-N	237.431	4.502	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CCCCC2CC2)C1	2214584461	RCUFWFAQGWITTJ-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)[C@H]1CCC[C@@H](CC)C1	2215332720	OCTMMLLXROYSHI-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H]1CC[C@H]1CCCCCCCC1CC1	2216877874	QWXYPAOXWUGTMB-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@@]1(CN[C@H](C)CC)CCC1(C)C	2217137134	JVQAGPOQAARCRN-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCC1(CN2CCC[C@H](CC=C(C)C)C2)CCC1	2218172883	CCVIGKFJVSAGAC-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218329145	APXCZCRKRZFPSC-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
C(CCC[C@H]1CCCNC12CCC2)CCC1CC1	2218728748	XHYOZPQZCNLUHY-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
Cc1cc(NC2CCC(C3CC3)CC2)ccc1F	2218894920	MYIISZBNDMDCJR-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC=Cc1ccccc1)NC	2219083284	CPZJVKQBUXYXHS-WBVHZDCISA-N	245.410	4.504	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1ccc(C2(C)CC2)cc1	2220925659	RCWNJMUHACBVNU-KGLIPLIRSA-N	243.394	4.586	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@]12CCCC[C@H]1CCC2	2220965463	ZQEVIGCJQDPCHF-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1C[C@H]1CCN1CCCC12CCCCCC2	2220984085	GRYLITUFVZRFDV-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NCC1(C)CC2(CCC2)C1	2221015124	GPJQNYSPMODYDE-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)CC1(C)CC2(CCC2)C1	2221070320	BESSIZFBRVSIHA-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC2CC3(CCC3)C2)CC1	2221638041	MRFKYOMGMMTUPF-MRXNPFEDSA-N	246.394	4.662	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCC[C@@H](C(C)(C)C)C2)CCC1	2222267471	QCXWYZOQAINCLB-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(CC2CC3(CC3)C2)C1	2222271739	ZBSQGBWDCRJDHB-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC[C@]1(C)C1CCC1	2223857765	RIOKOQYTEHDNCA-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)[C@H](C)c2ccccc2)C1	2224177792	YKFSDDXWXUDZKX-RRFJBIMHSA-N	244.378	4.576	0	10	BJAE	
Cc1cscc1NCC[C@H]1CCC[C@@H](C)C1	2242789849	FDVKSTXONNTFOC-DGCLKSJQSA-N	237.412	4.685	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)c1csc(C)c1	2244778963	BZNPYNSKWDWKMP-GXTWGEPZSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@@](CC)(CC1=CCCCC1)C(=O)O	2247517531	HAHSUNDXEILWQG-HNNXBMFYSA-N	238.371	4.548	0	10	BJAE	
CCC[C@@H](C)[C@H](N)c1cc(C)c2sccc2c1	2248577658	KWAHHVQANXURLM-YGRLFVJLSA-N	247.407	4.646	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNC(C)(C)C(C)(C)C	2248873223	URWZRYLCDSZUCB-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)[C@H]1CCC(C)(C)C1	2250363771	BPQDEHBLFBZHSI-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](O)c1cccc(C2CCCC2)c1	2251229332	ZQEAYHNCSQGREM-MRXNPFEDSA-N	232.367	4.568	0	10	BJAE	
CCCN[C@@H]1[C@@H](CC(C)(C)CC)CCC1(C)C	2251698015	QIQNXMOOQUZECA-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@H](N)CC[C@@H]1CCCCC12CC2	2253843867	NHVPDVJPNFZRCW-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C(=O)CC[C@@H]1CCCCC12CC2	2253855649	NXDYRJFQDDDYJQ-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC1CC2(C1)CC(N[C@H](C)C1(C)CCCCC1)C2	2254145990	HQQNYAGEOXFYDH-NUHCZIBGSA-N	249.442	4.514	0	10	BJAE	
CN(CC[C@@H]1CCCC12CC2)C1(C)CCCCC1	2255232274	IFVNSAMGZDDISG-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@H](NCCCCC[C@H]1C[C@@H]1C)c1ccccc1	2257338616	HZCDNAOPXBORAL-ZOBUZTSGSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(C[C@@]23CCCC[C@H]2CC3)C1	2260645008	FRSSKUGDQCTSQJ-QEOTZNIISA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1ccc(CF)cc1	2298841034	XXXUYZIXIHWSMT-CYBMUJFWSA-N	237.362	4.783	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)C1(C(C)(C)C)CCC1	2298887175	QTVJDKMLYXRONM-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H](O)C1(C)CCCCCC1	2298908737	RWQMQXWWGAVSQC-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](N)C[C@H]1CCCC12CC2	2300682188	WOEFYKYOQGGLGT-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
O=C(CCCC1CCC1)CCC1=CCCCC1	2301923653	LWQJRONPLXXKMH-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
C[C@@H]1[C@H](C(=O)C2CCCCCCC2)CC1(C)C	2302137013	WRQLCYBFJFBGFS-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCCCC1=CCCCC1	2302331140	JDVRAROFPANNKQ-LSDHHAIUSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1CC(=O)C[C@@H](CCCC2=CCCCC2)C1	2302344372	FJQZMJUEELPBSY-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)C1CCCCC1	2302361034	HVYBIEMPRYYQSH-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
C[C@]1(O)CCC[C@]1(C)CCCC1=CCCCC1	2302361327	LPLCJSUOPCGNHD-HOTGVXAUSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C[C@H]1CCC(C)(C)C1	2302752243	BWHIBTHURXNZQI-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CC[C@@H]1C(C)(C)C	2303376133	QFNITCQDPOTICZ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CC[C@@H]1C(C)(C)C	2307902349	KSOMACJWWYEJMQ-AJNGGQMLSA-N	240.431	4.636	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@H]1CC[C@@H]2CC[C@@H]21	2308177911	ZUTWNUADLBWZSB-XIRDDKMYSA-N	241.378	4.555	0	10	BJAE	
C1CCC(NC[C@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2309182777	WJKWLBUQNIKBIU-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](N)[C@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2311200048	HDZDTDPCIUGQJP-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CCC)[C@@]1(C)C=CCC1	2311586713	PKZIJODBOKZGEE-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CC(=O)C[C@H]1C[C@@H]1C1CCCCCC1	2311610239	IYZVOCMCBOGCHY-VWNJHIHFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	2311614849	IGHIRTYZKCQKAR-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313349147	SUIAPRHNISGINZ-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CC1)C(=O)c1ccc(C(C)(C)C)cc1	2313595871	DKPACKPSYUEBKR-GFCCVEGCSA-N	244.378	4.603	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@H]1C[C@@H](C)Nc2ccccc21	2313624236	LYSXKNVVSGGBTJ-ZENOOKHLSA-N	243.394	4.801	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H](C)CC2CCC2)cc1C	2313703343	AYXKEDAOVJEKNQ-AWEZNQCLSA-N	244.378	4.621	0	10	BJAE	
CC(=CC[C@@H](N)[C@@]12CCC[C@@H]1C2)CCCC(C)C	2316501394	DWUWMHUTCNOCKN-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1ccc(C)c(F)c1	2316501634	HSUOTVZXOLMSJZ-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1N[C@H]1CCCC2(CCCCC2)C1	2316583607	BWCJDDVILQBPML-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CCCCCCc1ccc(CNCCC)cc1C	2318365145	UBOKNJMHFTUHDW-UHFFFAOYSA-N	247.426	4.617	0	10	BJAE	
C[C@](O)(CCCC1=CCCCC1)[C@H]1CC12CCC2	2318544457	YHFCIGDXDITSSS-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCC1=CCCCC1)C1CCCCC1	2318584325	ZBNMMDVNJHMMAT-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
C=C=CC[C@@H](CCCC1=CCCCC1)NCCC	2318594896	KMVKWKVGAJMRCO-KRWDZBQOSA-N	247.426	4.757	0	10	BJAE	
CC1(C)CC=C[C@](N)(C[C@H]2CC[C@@H]2C(C)(C)C)C1	2320250898	VJRKLRRIVYPGAV-KEYYUXOJSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)CC2CCCCC2)CC1	2320396654	IXHZMDRGRZPOBL-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@@H]3CC[C@@H]32)c1F	2327804911	WOIYMSIHJWVHNG-FPMFFAJLSA-N	247.357	4.550	0	10	BJAE	
CC[C@H](Nc1ccc(F)cc1F)c1ccccc1	20023079	VICCLQOIJLFQHM-AWEZNQCLSA-N	247.288	4.528	0	10	BJAE	
CCCCCCN[C@H](C)c1cc(C)ccc1C	20545874	VIBMUVCPYZWQIC-OAHLLOKOSA-N	233.399	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(C)cc1C	21029709	VXDCWZGLGLJWBR-WFASDCNBSA-N	233.399	4.930	0	10	BJAE	
c1ccc(-c2ccc3[nH]c4c(c3c2)CCCC4)cc1	33962328	QSNIRTJJJYOHIP-UHFFFAOYSA-N	247.341	4.714	0	10	BJAE	
CCCc1ccccc1NC1[C@H](C)CCC[C@H]1C	36974303	QNTSJSCFEGIUJG-ZIAGYGMSSA-N	245.410	4.876	0	10	BJAE	
CC(C)(C)[C@@H](NC1CCCCC1)c1ccccc1	36994660	DMLXQUQXLGKSMC-INIZCTEOSA-N	245.410	4.696	0	10	BJAE	
CCC[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC	59014237	PRUXPXFIRXLJNL-QWHCGFSZSA-N	247.382	4.575	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)Cc1ccccc1	70941654	OLXHESIWZQELPK-JKSUJKDBSA-N	247.426	4.566	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(N)CCC(C)(C)CC1	79657473	DUIGZLCKQWVILK-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CCC(C)CC1)C(C)C	85082964	PHQGUKLVKGLCNY-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CSc1ccccc1N[C@@H]1C[C@@H](C)CC[C@@H]1C	85097261	NLEFBWQSHPWEBR-SGMGOOAPSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CCC)CCCN1	85700244	PNIWOFHIMRCVSE-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CCCC[C@]1(O)CCCC[C@H]1C1CCCCC1	87164008	JOWQHNHEEQJFHR-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(C)n1CC1(CC(C)C)CCCC1	94884341	ICKDDMQGMYWNEI-UHFFFAOYSA-N	233.399	4.711	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)Cc1cccc(C)c1	109713405	TULYMLIYGBHFIY-NVXWUHKLSA-N	248.410	4.505	0	10	BJAE	
CCCCC[C@@H](C)Nc1nc2ccccc2s1	110382674	VNOHVHITOGLHCQ-LLVKDONJSA-N	248.395	4.677	0	10	BJAE	
CCCN[C@H](c1coc2ccccc12)[C@H](C)CC	123070530	AFGCZCOBSIEBPR-WBMJQRKESA-N	245.366	4.520	0	10	BJAE	
CCCC[C@H](CCC1CCCCC1)NCC	124714409	ASZAAYVSMBBFGG-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)NC1CCC2(CCCC2)CC1	129349732	BALAKHICBRXCTN-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCc1cnc(-c2cccc3ccccc23)s1	132110662	DQMFYALDNVMJBY-UHFFFAOYSA-N	239.343	4.526	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@H](C)CCC(C)C)c1	132433740	ALZBDKGLWVHMKM-HZPDHXFCSA-N	247.426	4.779	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@H]2CCCC(C)(C)C2)c1	149448975	OSMWKUYAFQZCLQ-ZBFHGGJFSA-N	245.410	4.614	0	10	BJAE	
C[C@H]1CCC[C@H](N[C@@H]2CCCC(C)(C)C2)CC1	149462470	JUHKDUJJIMDERQ-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@H](CC(CC)CC)C1	150043217	RAUYEWNWBOHODL-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
CC(C)(C)NC[C@H](C1=CCCCC1)C1CCCC1	161463187	FLAZNAMXKLYDEN-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1C)[C@@H](C)C(C)C	163459408	CXFWJWHLXHGDMN-WMLDXEAASA-N	247.426	4.636	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H](CC)c1ccccc1	165057522	SGFIGFSRLQLBEP-UKRRQHHQSA-N	232.367	4.576	0	10	BJAE	
CC(C)CCN(CCC(C)C)Cc1ccccc1	196918202	JULZDLFWNXLOKH-UHFFFAOYSA-N	247.426	4.581	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@]1(C)CCS1	211392600	VOUJVCYJEYFBRX-HNNXBMFYSA-N	234.408	4.645	0	10	BJAE	
CCCC[C@H](CCC)Nc1nccc2occc12	226092932	VNTSYLCACLITQD-LBPRGKRZSA-N	246.354	4.599	0	10	BJAE	
CCCN[C@@H](c1ccccc1C)C1(C)CCCC1	229441013	RTWXTVLLEYVLON-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
Cc1cc(N)cc(-c2cccc(C3CCC3)c2)c1	232055357	LQDZGSNAAZWKIU-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CCCCC[C@@H](NCC)C1=CCCCCCC1	232977101	NYDMXZPNAIKPNN-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC)C[C@@H]1C[C@H](C)CC	250887144	VWXKABNQUKDKAF-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CCCCC1CCCCC1)NC	300822959	ZJRDXAOPEGDHKI-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)CC1CCCCC1	300865051	GXSLJIREYAEOSG-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CCC(C)(C)C	300895232	QDXWZVVSFGIWLS-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](CC(C)C)c1nc2c([nH]1)CC[C@H](C)[C@H]2C	308089804	OVUPLBGJLZLYRO-YNEHKIRRSA-N	248.414	4.635	0	10	BJAE	
Cc1ccccc1[C@@H](C)NCC(C)(C)C(C)(C)C	310768788	CJDSBZISXZVUJA-CQSZACIVSA-N	247.426	4.718	0	10	BJAE	
CNC[C@@]1(CCCC(C)(C)C)CCC[C@@H](C)C1	316897819	JMAWCTZODDWRNT-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@]1(CNC)CCC[C@@H](CC)C1	317635873	YZGSAYCFHPGBBL-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)c1ccccc1C(C)(C)C	319858457	QTZCFMSKZQXQRB-XEZPLFJOSA-N	247.426	4.666	0	10	BJAE	
CCCC1CCC([C@H](O)CC2(C)CCC2)CC1	380048555	LFUQBNRHGNEAJP-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc2c1ccn2CC1(C)CCCC1	383932296	FSGJLSJONZLSCE-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H]1C[C@H]1CC(C)C	387826072	NGDVVMHOESPYNQ-OAGGEKHMSA-N	240.431	4.636	0	10	BJAE	
C1CCC(CCCN[C@H]2CC3CCC2CC3)CC1	395147129	GEOORILGIMOEAO-JCYILVPMSA-N	249.442	4.515	0	10	BJAE	
CCc1cc2c(C)c(C(F)F)ccc2s1	396205976	YYFZWDADCQEKQF-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1c(S)sc2c(C(F)F)cccc12	396241818	MDMORDAQDXHDAN-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCCC[C@H](CC)Nc1cncc2ccccc12	396512898	HIWZBWQOAVUBMO-AWEZNQCLSA-N	242.366	4.616	0	10	BJAE	
CCC[C@@](O)(CCC1CCCC1)[C@H]1CC1(C)C	397603058	GNNIRWIOSCSNAT-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CSc1ccc(NCC2(C(C)C)CCC2)cc1	687268283	QDUCWYCOPNETOC-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)c1ccccc1	688407038	VVEUWAQBTPCWOL-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CNc1cccc(-c2cccc(C(C)C)c2)c1	688972546	ZAYGZKRCYHROLG-UHFFFAOYSA-N	225.335	4.519	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2cccc(C3CC3)c2)CC1	690079079	XIKIYJIKBOGYHD-CJNGLKHVSA-N	243.394	4.945	0	10	BJAE	
Cc1ccc(N[C@H]2CCC23CCCC3)c(Cl)c1	694419662	RZCFAQVRWSXWLA-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
CCC(C)(CC)[C@@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	701189942	AIRNSNGLIKNCFV-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1cccc(C(C)C)c1	701513622	ZHWVHQFIBDTTTM-RHSMWYFYSA-N	248.410	4.916	0	10	BJAE	
C[C@H](C[C@](C)(N)C1CCCC1)C1CCCCC1	704899297	OESWRCAIMSENEB-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1/C=C(\CNC(C)(C)C)C1CCCCC1	705264345	FCIJJFDIRSVNSI-OVLFUESZSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NC[C@@H](C)CC(C)(C)C)cc1F	709101391	IPDTUDFUFNBPOM-NSHDSACASA-N	237.362	4.618	0	10	BJAE	
C[C@@H](Cn1ccc2cc(F)ccc21)CC(C)(C)C	709177947	PEXQJNBPXLIJRP-GFCCVEGCSA-N	247.357	4.853	0	10	BJAE	
Cc1cc(C(=O)[C@]2(C)CC[C@@H](C)C2(C)C)c(C)o1	710750847	DRFDUPQABHRSFE-HWPZZCPQSA-N	248.366	4.542	0	10	BJAE	
CC[C@H](CC(=O)C[C@H]1CC=CCC1)C(C)(C)C	711115199	ZAGBWZVNNXZKOK-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
CCC(C)(C)C[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C	713171516	XHBGVGGPWKVWKU-IIAWOOMASA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H]1CC[C@@](C)(CC(C)(C)C(C)C)C1	713175641	RWSHOZPWNMVQJA-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C1(C)CCCC1	713232984	SCUOKJITPZMAKR-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O	713306647	PKVUAXGLSMDAJS-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C\CCc1cccc2ccccc12	713755747	ZFYYMMWOEYXOBZ-ARJAWSKDSA-N	208.304	4.515	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@H]1C1CC1)C1CCCCCCC1	714768390	CPKXGDYDODCXCD-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NCCCC(C)(F)F)c1	718375035	YNHPYMDOOGYENJ-UHFFFAOYSA-N	241.325	4.657	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(O)CCCCCC1(C)C	719261022	ORQCHKOWTDKGMQ-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)C(C)(CC)CC	721737145	QQCPWKJRABOOFG-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
COc1ccc(C(C)(C)C)cc1C1=CCCCC1	757568482	RLLFDJBEHKIMCW-UHFFFAOYSA-N	244.378	4.950	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@]12CCCC[C@@H]1C2	822083049	UIONDJRMTNONJA-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CCSc1ccc(O)c(C)c1	1900712486	KNMSXVMIWVVVPG-UHFFFAOYSA-N	238.396	4.619	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Oc1cc(F)cc(Cl)c1	1901681608	FZPZJOIZEWYXHI-NXEZZACHSA-N	244.737	4.539	0	10	BJAE	
CCC[C@@H](CC)CN(C)c1ccc(Cl)cc1	1905307526	QSPLZBYPPCRDFM-GFCCVEGCSA-N	239.790	4.603	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CCC)CC(C)(C)C	1910743242	OHMDHSZGMPQWRZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C[C@H](C)CC(C)(C)C	1910807624	KOYYYNIKRWWZGU-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CC(C(=O)C2CC3(CCCC3)C2)C[C@@H](C)C1	1912603977	IDIDVPLQXIORSG-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CCCCCC1CC1	1919977104	TUVKAPMVVKTDHC-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@@H](C)C1CCCCC1	1924110845	NBJURMJHJUAURD-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC[C@H]1C=CCCCC1	1925823124	RNVSIDLGPYWJAL-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CC(=O)CCC1=CCCCC1	1926151479	DORULOGLJIYNSB-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CC1(C)CCC(=CC2(C)CCCCC2)[C@H](CN)C1	1927166952	VKEGISCZYHRFAW-HNNXBMFYSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2C=CCCC2)C1	1932603757	HTLMGMHQGVSQNK-RBSFLKMASA-N	206.373	4.949	0	10	BJAE	
CC1(CCC[C@H](N)C(C)(C)C)CCCCC1	1935624931	IOCLHKVGAOJZOO-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)CCC(=O)CCCCCC1CC1	1936422251	YTFNZZBZCMYMPP-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCC(=O)CCCC(C)(C)C(F)(F)F	1939111363	LIFXYUGNLNRYEQ-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CC(C)CCCCCC1(CO)C(C)(C)C1(C)C	1940298357	PHJGWIDYYCLACV-UHFFFAOYSA-N	240.431	4.638	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)CC[C@@H]1CC1(C)C	1940852982	KDBRKBXVFZZJLT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NC)C1CCCCCC1	1941263683	PDFIHMXYTRUOSI-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944200094	SBJJRJCAWIOHPT-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C[C@H](O)C[C@@H]1CCC[C@@H]1C)C(C)(C)C	1944834801	ZFNNHBPOMLXHOA-BYNSBNAKSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2CCC[C@@H]2C)CC1	1944845725	JUWKCPWZBWPGNR-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@@H]1CCC1(C)C	1945749999	PENVBVSJKXFBER-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H]1CC12CCCC2	1948075543	WDNSPXDDAVTCCB-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCC2(CCCC2)C1	1949495626	AVJRANYBLKUZOI-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
CCC(CC)C[C@H](NC)[C@@H]1CCC[C@@H](C)CC1	1950921584	HAYDEGMZNGOJQN-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@]1(CNC)CCC[C@H](C)CC1	1950930623	QGNZRUXIWVVGKS-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC(C)(C)NC[C@H]1CCC(C)(C)C1	1962825596	RLXYMLOFIRNRMQ-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(CCN[C@H]1CCCCC12CCC2)C1CC1	1967781565	XJOWGYXCFJRTIE-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](Nc1cccc(C2(C)CC2)c1)C1CCCC1	1967832509	OTPUVQMTVDHVFL-ZDUSSCGKSA-N	243.394	4.729	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@@H]1CCC=CCCC1	1978275225	VSZCYXUKQSRCNJ-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@](C)(CNCC)CC(CC)CC	1978640362	WAJPLLPHXHRDDT-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CCCC(C)C	1981004461	KPNCRBNZSLIIGD-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCC(C)(C)CCC1=O	1984463352	ZDEDRIJITBSSKH-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC=CCCCCC[C@H](NCCC)C(C)C	1984633492	XJEKVASAMKPBEL-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@](N)(CC)CCC(C)(C)CC	1990091847	RTOOERMPMLYYPW-OAHLLOKOSA-N	227.436	4.891	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccccc1C	1990092412	ZFUZOLPZKXVILY-AWEZNQCLSA-N	219.372	4.766	0	10	BJAE	
CCCC1(C[C@@H](O)C(CC)(CC)CC)CC1	1990610024	DYEFSBGBOWCTSC-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](O)CC[C@@H]1CCCC(C)(C)C1	1994033389	HZFHBIRFLXCMSY-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
c1ccc(SC2CC2)c(NCCC2CCC2)c1	1996558589	OLFFFVUQRLYGFU-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
CCCCC[C@@](C)(N)CC1CC(C(C)(C)C)C1	1998236495	KJSKTHZBCQHDCR-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)CNC[C@H]1CCC=CCCC1	1999994370	UMIJBCYOQJBECS-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2000055910	FFBYUGTTXXLKHE-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)[C@@H]1CCCC(C)(C)C1	2000062716	OEXMSMYYQLOWKO-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CCCC(C)(F)F)CNCC	2000506258	ABPSMWYBQOKRII-ZDUSSCGKSA-N	249.389	4.618	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@](C)(N)C2CCCCC2)C1	2002921379	NRRIZPUYKNQADQ-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@]1([C@H](C)CC)CCCC(C)(C)C1	2002993837	OCRSVFQRUYFHGO-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CN(CCC1CCC1)C1CCCCCCCC1	2003167562	CHYYSDWPTNZTLR-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCCCC(F)(F)C1	2009575035	VTMLJWKPKFXOQO-QAVQXKDTSA-N	244.325	4.518	0	10	BJAE	
CC=CCCC[C@@H]1CCCCC[C@H]1CNCC	2009616088	FZHGUHXOYBXHRD-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC=CCCC[C@@H](CC[C@@H]1CC1(C)C)NCC	2009616231	HCMZMBSRPVSVAM-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H](CC(C)C)C(C)C	2009616388	IOPQTLYSUWXCKA-HOTGVXAUSA-N	239.447	4.639	0	10	BJAE	
CCCCCC1CC(N[C@H](CC)C2CCC2)C1	2009714860	WEHLZDVKYBIVDP-AVVWSFFYSA-N	237.431	4.514	0	10	BJAE	
CCCC(O)(CCC)CC1C[C@@H]2CCC[C@H]2C1	2011982986	NLGCWYLUZQMYKM-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CCCCCCCCC2)C1	2013181302	VSNFQHNQJQDXGH-HZPDHXFCSA-N	237.431	4.611	0	10	BJAE	
C[C@@H](N(C)C1CCCCCC1)C1(C)CCCC1	2014386759	DKEHRKXQYXDKMI-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CSc1ccc(N[C@@H](C)[C@@H]2CCC2(C)C)cc1	2014906408	ZDHOLSSINREBSE-FZMZJTMJSA-N	249.423	4.645	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1C[C@H](C(C)(C)C)C1	2016148950	FJIKLXXZDSLYQX-KKUMJFAQSA-N	237.431	4.536	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)c1cccc2ccsc12	2016449114	MKEPVJSMNSUOAL-BMIGLBTASA-N	244.359	4.520	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@@H]1CCCC1(C)C	2021078778	DUXDDIRAVWQHOC-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@]12CCC[C@@H]1C2	2026166893	NDLQKPAUZSZHEM-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CCC[C@H]2CC2(C)C)c1	2027832329	KYURSPJJJJYUSG-HOCLYGCPSA-N	245.410	4.520	0	10	BJAE	
Cc1cccc2c1OC(CC(C)C)(CC(C)C)N2	2028014530	IIRAEEXEAFCCRJ-UHFFFAOYSA-N	247.382	4.588	0	10	BJAE	
CC(C)(C)C1CCC([C@]2(N)CCCC23CC3)CC1	2028129456	VZSKCOCEOPZJMS-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1ccccc1C1(C)CC1	2032242376	GRUOEMONNODDEX-HIFRSBDPSA-N	243.394	4.729	0	10	BJAE	
C1=C[C@H](Cc2ccc(-c3ccccc3)cc2)CC1	2035554611	GZJDSOQFNYBVBT-HNNXBMFYSA-N	234.342	4.862	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC2CC2)CC12CCCC2	2036103433	CYSJGCOCWLKUFI-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2037134771	ZYBLRVSKBQZYSJ-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCC1CCCCC1	2039436504	PXRQNSQTWJMYQO-USXIJHARSA-N	249.442	4.667	0	10	BJAE	
CC[C@@](N)(C1CCC(C)(C)CC1)C1CC2(CC2)C1	2040649922	FSNCGGLEMMOQHC-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CN[C@H]2CCCC3(CCC3)C2)C1	2041292982	LPNZQYBKQDUVJO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1NC[C@]1(C)CC=CCC1	2042068635	ZNZCJADPVGIUQH-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042347920	OWUSPIBVNBDEDZ-SIRPWMCASA-N	249.442	4.536	0	10	BJAE	
CN(CCCCCC1CC1)[C@H]1CCC2(CCC2)C1	2043707359	HOKQNFXWYVRRIM-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)C2CC3(CCC3)C2)C1	2045401035	PHDZMPYKKYALOZ-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NC[C@]1(C)CC=CCC1	2047727301	WBGOFVNGUHONSU-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@@H]1CCC12CCC2	2047943645	SODAIUMIQHBBAO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C2CCC3(CCCN3)CC2)CC1	2048950861	PZLQJVJZPKWGLC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC2(CC2)C1)C1CCCC1	2049853529	FBRGJJYWHLAPJA-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CCCC[C@@H]1C1CCCC1	2051672628	VFWMVPTUUYROGR-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)CCC1	2055543107	XSXQMPOUJLPWHN-PVTMVUMOSA-N	249.442	4.536	0	10	BJAE	
CCC1(CC)CC(NC[C@H]2CC23CCCCC3)C1	2058827543	HYMWVZKIEULSIB-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCCC2(CCCCC2)C1	2059205518	BQSSSNDJOADTAD-YATRRXNKSA-N	249.442	4.955	0	10	BJAE	
C=C=CC[C@H](NCC)C1CCC(C(C)(C)C)CC1	2059437165	BEOJRBBMJPZGPE-GPANFISMSA-N	249.442	4.548	0	10	BJAE	
CC[C@](N)(C1=CC[C@@H](C(C)C)CC1)[C@@H]1CC1(C)C	2061122368	ODTQOWOLEXBBEX-UNEWFSDZSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1cccc(NCC[C@@]23CCC[C@H]2C3)c1	2061571005	HKKJXJQXYDUKAU-DOTOQJQBSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H](C[C@H](N)CC1CC(=C2CC2)C1)C(C)(C)C	2061728137	GUQOIRRKZOGBIF-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H]1CCCCCC12CC2	2062022201	BNDVXJWXXMJVLW-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1C[C@@H]2CCC[C@H]2C1	2063411016	YBTXTYKQPIXHAL-ILXRZTDVSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc(NCC2C[C@H]3CCC[C@@H]3C2)c(C)c1	2063470364	AXESFLACQCDRPQ-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
CC(C)=C(C)CCN(C)CC12CCC(CC1)CC2	2065335791	SSBIQICGMQOVHQ-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
C1CCCCN(C[C@@H]2CC23CCCC3)CCCC1	2065850518	NKNFJISPMSYVLT-INIZCTEOSA-N	249.442	4.613	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)C)c1ccc(C2CC2)cc1	2068816235	GWGFMMXFQRLBIO-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CCCC1(CN2CC=CC23CCCCC3)CCC1	2069277874	BFVOYMJDUZPYCU-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC(=O)c1cccc(C(C)(C)C)c1	2070950130	GKSRZVOGJHCNJZ-SJCJKPOMSA-N	244.378	4.603	0	10	BJAE	
CCCC[C@H](NCC[C@@H]1C[C@H]1C)c1ccccc1	2071479914	RZRYCLHMAUBOLT-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@@H]2CCCC23CC3)CCC1	2071951057	RRGBSTNCQORIOE-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](C)(NCCC2=CCCCC2)C1	2072616273	JWTWIZDSYZSFTI-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C=C=CC[C@@H](C[C@H]1CC[C@H](CC)CC1)NCCC	2072795397	DDMKOTWJFKGCHE-ULQDDVLXSA-N	249.442	4.692	0	10	BJAE	
CCC1CCC(C[C@]2(CN)CCC23CCC3)CC1	2072809378	NJYFIACQVUEVSA-DQPZFDDXSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC3(CCCCC3)C2)C1	2074892667	OTZFRTLHKXFLSP-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)C1CCC1)c1ccco1	2075809770	BIDUXFCMFZVDBT-HIFRSBDPSA-N	249.398	4.537	0	10	BJAE	
Cc1cccc(F)c1C(=O)CCC1CCCCC1	2075981485	SOSOOELFWXKBPG-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCCN(Cc1ccc(C)o1)C1CCCCCC1	2076550762	LITKIKDPKWAKST-UHFFFAOYSA-N	249.398	4.523	0	10	BJAE	
CCCCN(C[C@H]1CC12CC2)C1CCCCCC1	2076558301	KHKAXGSJEOTHAN-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@H]1C[C@](C)(F)C1	2077814922	LRMGBKSLTCJCKK-YGUOUDRMSA-N	248.341	4.521	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2C[C@H]2C2CCC2)CC1	2079301381	BEIRGSYLUZPNSK-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@H]1C1CCCCCC1)C1CC1	2079532901	XOEUJFUSGCBXNG-ULQDDVLXSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1C[C@@H]1c1ccccc1	2079551765	AHLRSZIPJIMQOL-BBWFWOEESA-N	246.394	4.512	0	10	BJAE	
C[C@H](C[C@@H]1C[C@@H]1C(C)(C)C)C(=O)c1ccccc1	2079845649	ZEYQHDMDOSHBEQ-YUELXQCFSA-N	244.378	4.578	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)C[C@H]1C[C@H]1C1CCCCCC1	2079863651	KHMQOHHXCJCFSC-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CNCCC1=C[C@@H]1CCCC(C)(C)C1	2082979570	OOGWKAHELJVHRX-HOCLYGCPSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)CCC(=O)C1C2(CCC2)C12CCC2	2083560287	FINCYDMEMSURPG-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccccc1N[C@H]1C[C@H]2CCC[C@H]1C2	2086154831	XUFRVVJWSIFDPZ-QRTARXTBSA-N	243.394	4.630	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H](C)[C@@H](C)CC	2212631434	PCHSXKOZJZNWGR-QWRGUYRKSA-N	239.790	4.749	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC[C@@H]1C[C@@H]1C	2215333773	QBLYZEMIFNCUGG-DZGCQCFKSA-N	232.367	4.543	0	10	BJAE	
CC(C)=CCC[C@]1(N)CCC[C@@H](C(C)(C)C)C1	2216247255	KKMCTIXFHUKKFD-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCCCC(=O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216748288	UNJMDAOMYGRCQS-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC(=O)CC1C[C@H]2CCC[C@H](C1)C2)C1CC1	2218337039	XYIFEGJXQSHCGD-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCNCC1(C2CCC2)CC1	2218717238	AZCBESRKXCIPCP-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)[C@H]2C[C@](N)(CCCCCCC3CC3)C[C@H]21	2218720842	MNYNIRVTYJXBNQ-QLPKVWCKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)[C@H]1CCCCC12CCC2	2220879286	PJMSNVJAILXOEX-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](N)CC1(C)CC2(CCC2)C1	2221015987	KRPFVRYAKXJAFJ-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@H](N[C@H]2CCC[C@@H](CC(C)C)C2)CC1	2221659532	GNMJNBLHNPBCCJ-ULQDDVLXSA-N	249.442	4.680	0	10	BJAE	
CC1=CC[C@@](CNCC(C)C)(C2CCCC2)CC1	2221669179	VIOCWEQPKLWVOL-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H]1C[C@H]2C[C@@H]1C2	2222306833	JKHDMRJRWLVPDM-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CC(C)(C)C)c1ccccc1	2223558496	MVEYUCYRQZYCPH-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
CC1CC(C)(CC[C@H](N)CC2CCCCC2)C1	2246528227	WMZCJYQCVCVRPU-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@H]1CCC12CCC2	2247407001	KQUWEQINFFZDAJ-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H]1CCC12CCC2	2247426010	UCLKMIJAKQMFQL-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2CCC2(C)C)CC1	2247447730	NPVDJXIBRCEODM-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)[C@@H]1CC12CCC2	2248284577	YAHUZQSXNZMFMK-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCCc1cc(Cl)c2c(C)c(C)c(C)cc2n1	2249486835	POYJOFNCQKSCHI-UHFFFAOYSA-N	247.769	4.766	0	10	BJAE	
CCC[C@H](CC)CNCC[C@@H]1CCC[C@H](C)C1	2250381141	LFOXFPHJDQGMKA-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1CC(CCN)C1	2250469484	PEVOQJXSIUIBJM-QQFBHYJXSA-N	239.447	4.604	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@H](O)CC[C@H](C)CCCC(C)C	2250477999	DKFAVFLCQUZFAU-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2CCC23CCC3)CCCCC1	2255014334	BQSLOYFFAVPJNR-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@@H]1CCC12CCC2	2255027293	KWHRCLAIOVTWNB-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)[C@@H]1CCCCC1(C)C	2255062474	IAKHBBQCNCYDNQ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
O[C@@]1(CC2=CCCCC2)C[C@@H]2CCCCC[C@@H]2C1	2255064760	RSLGJZJNEMIBCO-BJWYYQGGSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@]1(C)C=CCCC1	2255141746	QNELLGVYPWIFHQ-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)CC[C@H]1CCCC12CC2	2255221252	DXTLEYHPDBKWPG-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H]1CCCC12CC2)CC1CCCC1	2255292251	WASUBGOCGGCEBI-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(N[C@@H](C)[C@H]2CC23CCC3)CC1	2256440596	UAEANXJTBLYAOK-JWMHWRSXSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)C1(C2CCC2)CC1	2257340162	MIRKBONQEHEOQC-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CNc1cc(C2CC2)ccc1F)C(C)C	2259126050	WGQXSHBJCIXOHT-LBPRGKRZSA-N	249.373	4.797	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1ccccc1C1CCC1	2259465996	YAIODKKGSPPWME-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@]23CCCC[C@H]2CC3)C1	2260530700	ISNPLHMUJNAGJX-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCCN1C[C@]12CCCC[C@@H]1CC2	2260573925	KBMTVFRYKKBTJA-BRWVUGGUSA-N	249.442	4.611	0	10	BJAE	
Cc1cccc(C(=O)C2CC(CC(C)(C)C)C2)c1	2261185020	KPHWPQWDLBLEDV-UHFFFAOYSA-N	244.378	4.640	0	10	BJAE	
CCC1(C)CCC(O)([C@H](C)CC2CCC2)CC1	2298855472	UNSWGJRMCFRIRD-IUDNXUCKSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H](C)CC1CCC1	2298857992	LBKAYMMRPDWYKY-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@H]1CC[C@H](C)CC1	2300477852	ZWDONJNWCBCDJV-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C1CC(C(C)(C)C)C1	2300507011	FFCOMWFIZKPORA-ZBCRRDGASA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)C1(C)CCCCC1	2300696184	ANHPGWFMIBWDPY-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CN[C@H]1CCC[C@@H]1CC=C(C)CCCC(C)C	2300901659	LSCCKGQLZVHRTE-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC2CCCCCC2)[C@@H]1O	2301137780	NGMWUIJCYDPBHR-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)NCCC1CCCCCC1	2301714611	PLZFJEYXRLONOO-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C(=O)[C@@H](C)[C@@H](C)C(C)C)CC1	2301836573	NMGRXVZDPFCVOF-HESLUPGFSA-N	238.415	4.700	0	10	BJAE	
CCC(C)=CC[C@@H](CCC1=CCCCC1)NC	2301903433	UIRJXEJGQPDZJH-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CC(C)c1ccc(F)cc1NCc1ccsc1	2301905561	PCCXWEOCRKVHRA-UHFFFAOYSA-N	249.354	4.623	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2CCC(C)(C)C2)CCC1	2302765614	LOQGAHUBSKCEEZ-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H]1CCC(C)(C)C1	2302895198	GJULVVABCPMSEH-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(CN)CCCC(C)(C)C1	2307823817	PRQCSEWFIMPWOZ-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(N)CCCCCC1(C)C	2307825479	BKPHNDWPNJRIMF-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@H](Nc1ccc(F)cc1)C2	2308401363	VIEVKPMVUVRYGJ-KCXAZCMYSA-N	247.357	4.597	0	10	BJAE	
C[C@@H]1C[C@@H](CCC[C@@H]2C[C@H]2C)c2ccccc2N1	2310427346	YYXGBPNELIQYGP-KBUPBQIOSA-N	243.394	4.801	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CCC[C@@H]2CCCC[C@@H]21	2311207393	RCPHQJIKFOXTBH-NXOAAHMSSA-N	249.442	4.610	0	10	BJAE	
c1ccc(C2CC2)c(N[C@H]2C[C@@H]3CCCC[C@@H]32)c1	2311331245	GXRZHBLXQJGZAB-QRTARXTBSA-N	241.378	4.555	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@H]1C1CCCCC1)C1CCCC1	2311537272	NMYCPBDFSLKMSN-GVDBMIGSSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1	2312906305	XJVQURIVORDKCZ-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@H](C)CC1CCC1	2313673276	PVMWLVCPMBDREF-RHSMWYFYSA-N	245.410	4.554	0	10	BJAE	
CC(C)CCC[C@](C)(O)c1ccc(C2CC2)cc1	2315941009	LOGISNWHPAPKHP-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CC(=CCNC[C@@]12CCC[C@@H]1C2)CCCC(C)C	2316488124	BDGQWYXAXJGHHY-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CCC(C)=CC[C@]1(CNC)CCCCC12CCC2	2316491892	QVVAZQBAAINOFH-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC=CC[C@@H](NCCC)c1ccc(C2CC2)cc1	2316504565	VDOIQENGMNORMU-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC=CC[C@@H](C[C@H](C)c1ccccc1)NCCC	2316504903	YWIQXKZXVBHSMJ-RDJZCZTQSA-N	245.410	4.515	0	10	BJAE	
CCC(C)=CCN1CCC[C@@H]1C1CCCCCC1	2316515999	ZKWQMMAXTIHKMV-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
C1CCCC(CN2CCC[C@@H]3CCCC[C@H]32)CC1	2316883014	FJPZLIWMKCJHDO-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@@H]1CCCCC12CC2	2316885447	MYDBWMMTYLOCJC-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1C[C@H]2C=C[C@H]1CCC2	2317190660	VIEBGMMBVVIPKX-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(CCCC2=CCCCC2)=C[C@H](O)C1	2318566298	WCKREPJJUOZBLS-INIZCTEOSA-N	248.410	4.764	0	10	BJAE	
CCC[C@@H]1CCCN(CCCC2=CCCCC2)C1	2318575127	BPQUWEFMHCLLSU-QGZVFWFLSA-N	249.442	4.779	0	10	BJAE	
CCCN[C@@H](CCCC1=CCCCC1)C1CCC1	2318575352	DLPVLRJOXDOMSM-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
O=C(CCCC1=CCCCC1)C[C@H]1C[C@@H]1C1CC1	2318579877	IZGIKJGHHPOHIH-DOTOQJQBSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C[C@@H]1CCCC2(CC2)C1	2318945027	VTGPJCPJHJSOHP-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1CCCC[C@@H]2C[C@H]12	2319322879	IOJQJRKLPLQTBV-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCCC[C@@H]2C[C@H]12	2319336644	JGBWTFNMZGJISP-KMFMINBZSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)C[C@H]1CCCCC12CC2	2320432959	VOCSMVVXRDSFMC-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C[C@H]2C[C@H]3C[C@H]3C2)C1	2321621297	DVDLNALYLSIGRU-TUVASFSCSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](CC)Cn1c(C)cc2cc(F)ccc21	2328159094	HGFXRYJNGSTMCI-ZDUSSCGKSA-N	247.357	4.915	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CN)C[C@H]2C=C[C@H]1CCC2	2328214386	WPCZYGOSIBNBNB-HZMVEIRTSA-N	249.442	4.524	0	10	BJAE	
Clc1c2ccccc2nc2c(Cl)cccc12	6117627	VPJCMJYPXQMRLS-UHFFFAOYSA-N	248.112	4.695	0	10	BJAE	
Cc1cc([C@@H](C)Nc2ccccc2C)c(C)s1	19986872	QLVVAEXBXOKVOE-GFCCVEGCSA-N	245.391	4.846	0	10	BJAE	
Cc1ccc(N[C@H](C)c2ccc(C)cc2C)cc1	20008258	IVLZOOUHGAITGA-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CCC[C@H](C)CNc1cccc(C(C)C)c1	20549289	UHHBDMJKABIDTP-ZDUSSCGKSA-N	219.372	4.658	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C)cc1C	21793009	IICZCCGWBLYHJF-UKPHBRMFSA-N	245.410	4.533	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@H]1Nc1cccc(F)c1	22154333	PKJVWXVSUPYTSU-GJZGRUSLSA-N	249.373	4.843	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1c(C)c(C)cc(C)c1C	35491119	KNPFSBAKAHWZRZ-DIFFPNOSSA-N	247.426	4.617	0	10	BJAE	
CC(C)(C)C[C@@H](NC1CCCC1)c1ccccc1	37128467	KDFMXFLEOPGUKA-MRXNPFEDSA-N	245.410	4.696	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)c1ccsc1	50343182	YZURWOZYLBYZTJ-QWHCGFSZSA-N	239.428	4.758	0	10	BJAE	
Cc1c(C)c(C)c([C@@H](N)[C@@H](C)C(C)C)c(C)c1C	70122864	JINNEPNNHUJZRF-BTDLBPIBSA-N	247.426	4.521	0	10	BJAE	
CC(C)c1ccccc1NCCc1ccsc1	70246029	IYJGIYIRLAZMBL-UHFFFAOYSA-N	245.391	4.526	0	10	BJAE	
CCCCCC[C@H](NCCC)c1cccs1	71085137	BANCQWSOJBZTQK-ZDUSSCGKSA-N	239.428	4.759	0	10	BJAE	
C[C@H]1CCC[C@@H](CNc2ccccc2Cl)C1	84340503	LYOYAUKKVKKUSK-NWDGAFQWSA-N	237.774	4.578	0	10	BJAE	
CCC(CC)(CC)NCC[C@@H](C)c1ccccc1	86642249	OYOKYRJDJNASLF-OAHLLOKOSA-N	247.426	4.739	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C2CCC(C)CC2)CC1	86895432	MFJPFLBFMCAWCT-BHDPWAOGSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC(=O)C1CCC(C(C)(C)C)CC1	87975520	KIARMMYPGWDMHK-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1ccc(C)cc1C	93074083	NHRAIPAAVYSURL-MRXNPFEDSA-N	233.399	4.533	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCCC2(C)C)c(C)c1	94307353	LPWXOEKZQLTJSY-CQSZACIVSA-N	231.383	4.602	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)C1CCCC1	109764123	UIEGVXOZBLTNKK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N[C@H]2C[C@@H](C)CC(C)(C)C2)ccc1F	109957579	INHWZHQUWFPBGL-RISCZKNCSA-N	249.373	4.761	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@@H](C)CCCC(C)C	128600203	ZUXAANIFZIXNKT-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
CCCCCC[C@@]1(N)CC[C@@H](C)c2ccccc21	131383955	OYUCJFLUSMWLQH-RHSMWYFYSA-N	245.410	4.708	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](C)c1cc(C)cc(C)c1	132640618	HEVHPPDZKXBTQO-MAZHCROVSA-N	247.426	4.779	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(C2CCC2)cc1	132879023	YOVKPYHFOXRCJZ-KRWDZBQOSA-N	246.394	4.958	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)c1ccoc1C	132904855	DEKKZOFHJITXNM-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CCC[C@H](C)C[C@@H](CC1CCCCCC1)NC	162095098	JDVPXGZEUSEFFU-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)CC1CCCC1	162734032	BJPYPQMXJVXRNH-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCCCCC(=O)C[C@H](C)CC(C)(C)C	164723832	VESRGWOJSFYCED-ZDUSSCGKSA-N	226.404	4.988	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)C1CCC(CC)CC1	168791511	SMUWEJNKERYWGF-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC(C)C)c1ccccc1C1CCC1	169047924	NYIDUPONEOUWTF-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(CC2CCCCC2)C1	203332420	RQDMEGHBGACEKH-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)NCCCC1CCCC1	225031764	KYWUELUCNRAXON-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CCCC(C)(C)C1	225981499	YOQLIVKUYDDTKM-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CCC(CC)CN[C@H]1CCC[C@@H](CC(C)C)C1	230775421	OGGREHFXBBWESZ-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@H](C)CCC	233044628	PYKBTTKBRWXDGG-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
CC[C@H](NCC1(CC)CCCC1)c1ccccc1	234031964	PAAWQDOHDPZFOC-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@@H]1CC[C@@H](C)[C@H](C)C1	252900778	JVGVUFFCCJOBFK-LJIZCISZSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@H](N)[C@H](c1ccccc1)[C@H](C)CC	253021241	BTWXQTHFNFFOIB-FSDCSDTHSA-N	247.426	4.580	0	10	BJAE	
CN[C@@H](c1ccccc1)[C@@H](C)CCCC(C)(C)C	302317756	PYXOXZFIBQICER-GOEBONIOSA-N	247.426	4.800	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)c1cccc(CC)c1	308041217	AJAWQQQPGAWRAQ-DOTOQJQBSA-N	247.426	4.711	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](NC)c1cccc(C)c1C	308073067	SQPMKAYEBHTYJH-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CCC1(CNc2ccc(C)c(Cl)c2)CCC1	309268983	KHFCPWOEXXMKRY-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCC1(Cn2ccc3cccc(Cl)c32)CCC1	310198605	BCBHCLYFVONQER-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCCOc1ccccc1NC(C(C)C)C(C)C	310743460	RQKUUCWMOCTLGX-UHFFFAOYSA-N	249.398	4.568	0	10	BJAE	
CCc1ccc(C(=O)C[C@H](C)C2CCCCC2)o1	311113872	XHVLULUTWJVUST-LBPRGKRZSA-N	248.366	4.631	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1ccsc1Cl	312511145	ASKPDAODENBSMH-MWLCHTKSSA-N	245.819	4.618	0	10	BJAE	
CCCC1CCC(CNCC)(CC(C)C)CC1	317154719	QNCIBFYQNJJKCH-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCNCC1(CCC(C)(C)C)CCC(C)CC1	317186977	WPAUIWSZISXHLL-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@H](C)[C@@H](C)CC	319665762	GGXYOYLPIHFFEG-BFHYXJOUSA-N	226.404	4.700	0	10	BJAE	
CC[C@H](Nc1ccccc1C(C)(C)C)[C@H]1C[C@@H]1C	322226883	YQQOEAMTQWRFOT-YDHLFZDLSA-N	245.410	4.831	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CC1=CCCCC1	381175958	NZGHDYQLYHGIOO-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CC(C)CCCCC[C@H](N)C1(C)CCCC1	383257368	LGJYIFHIOYUEKO-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H](C)C1CCCCC1	384081332	XQBLKQRFOVMPMZ-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)CCC1=CCCCC1	384826379	DIDNGMFEZWHDAQ-CABCVRRESA-N	237.431	4.681	0	10	BJAE	
C[C@H](COc1ccccc1Cl)c1ccccc1	385042931	ZKMGCTVORINOHH-GFCCVEGCSA-N	246.737	4.523	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H]1CC[C@H](C)C1	385216033	QXVHQBQMVIRXDW-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC(C)(C)CN[C@H](C)CCC(C)(C)C	391255030	RCQCNCBXQQTSQK-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
C[C@H](NCCC1CCCCCC1)c1ccccc1	394554690	BVKVEMHPUIWDMJ-HNNXBMFYSA-N	245.410	4.698	0	10	BJAE	
CCc1cc2c(C(F)F)csc2cc1S	396232487	ADSAMSPPMDHUKB-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
COc1cc2c(Cl)c(C(F)F)ccc2s1	396287647	DRYAWHJFVGURRY-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
COc1c(Cl)cc(C(F)F)c2ccsc12	396293719	QZFGOZIFRDQWMV-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCC[C@@H](Nc1cccc(CC)c1)[C@@H]1CC1(C)C	397589261	IBXWHAFKUIJRJH-JKSUJKDBSA-N	245.410	4.876	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@@H](C)C(C)(C)C	398904875	JFTUSRISCCBCDU-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc([C@@H](O)[C@@H](C)C(C)(C)C)cc1CC	399175461	POLXXXYNULQILX-WBMJQRKESA-N	248.410	4.527	0	10	BJAE	
Cc1cc(Cl)ccc1OCC1(C)CCCC1	400851845	IMRZORDOCJLOQF-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1coc2ccccc12	404649956	QBFKXIINSDOKQI-MRXNPFEDSA-N	246.350	4.683	0	10	BJAE	
CC[C@H](CC(=O)C1(C)CCCCC1)CC(F)F	688807043	NQDDFTJSSHMWRP-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H]1CC[C@@H](C)C1	690189917	UXFAYSCYHZBNMX-MLGOLLRUSA-N	245.410	4.720	0	10	BJAE	
CCN[C@H](c1cccc(C(C)(C)C)c1)C(C)(C)C	691653388	PFAHIZYXATWRFF-OAHLLOKOSA-N	247.426	4.681	0	10	BJAE	
CCC[C@H](N[C@H]1CCC12CCCC2)[C@H]1CC1(C)C	693788461	QCPNVAORBLLXRH-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2CCC3(CC2)CC3)C1	695665843	FBDLNXNEDUYJIN-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCC=C(C)C	704683124	NSMDHQUZQHRAHR-HUUCEWRRSA-N	225.420	4.523	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@H]1CCCC[C@@H]1C	704795563	HTRABJXSWKSIHK-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@H]1CCCC[C@H]1C	704849525	BTHHVRCHCBNOIN-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCCCC1CCC([C@@H](N)c2coc(C)c2)CC1	706384314	BEXHSGUWBPXZFO-ZBCRRDGASA-N	249.398	4.584	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CC[C@@H]3CCC[C@H]32)CC1	707877430	JIQKWOKSIAMALN-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H](O)[C@H](C)c1ccccc1)CC(C)(C)C	709071392	PLFLORUSLSXSGO-FMKPAKJESA-N	248.410	4.613	0	10	BJAE	
Cc1cc(C)c2[nH]c([C@H](C)CC(C)(C)C)nc2c1	709125835	AXCQNADRGOYMEW-GFCCVEGCSA-N	244.382	4.719	0	10	BJAE	
CC(C)CC[C@H](N[C@H]1CCCC2(CC2)C1)C1CC1	709981558	ZATFJSASBJAEQU-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CC(=O)c1cc(C)oc1C)C(C)(C)C	711096551	QWKMNIIDLWJXHU-LBPRGKRZSA-N	236.355	4.542	0	10	BJAE	
C[C@H](C[C@H]1CCc2ccccc2C1=O)C(C)(C)C	711206720	GXWBYSANDLZHMY-TZMCWYRMSA-N	244.378	4.504	0	10	BJAE	
C[C@H](C[C@@H](CN)C1CCCCCC1)C(C)(C)C	711211242	WEPJBYKPNHIOAI-HIFRSBDPSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1CCCCCC1	711246453	OWYUGSSZIFIESA-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCC1CCC(N[C@@H]2C[C@H]3CCCC[C@@H]32)CC1	712524123	QUACPSYATKLGAG-QTPCEWDRSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@H](C)C1CCC1	713142949	KDMGFNFAPZURRJ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CC(C)(C)C(C)C	713259375	SSUSHVPGDOUULZ-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
C=C/C=C\CCc1cccc(CC(C)C)c1	713753395	QVTWSPDYRGEYAX-WAYWQWQTSA-N	214.352	4.560	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C[C@@H](C)c1ccccc1	718694231	SLFCXZRWVNXIOY-WBVHZDCISA-N	246.394	4.678	0	10	BJAE	
C=C/C=C\CCSCc1ccc(Cl)cc1	1164572423	JQCMWRGKDOIXAF-ARJAWSKDSA-N	238.783	4.706	0	10	BJAE	
CCC[C@H](C)S[C@@H](C)c1ccccc1F	1652626160	BYZZYMQDSDJGTQ-QWRGUYRKSA-N	226.360	4.809	0	10	BJAE	
CCCC1([C@H](N)CCC(CC)CC)CCC1	1900702314	ORTFQROFMOYQDM-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@@H](CC)CCC	1905382384	OOJXWHLYLXKLTH-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)CC=CCCNCC(C)C	1905733215	QAYNSBHOUXSFFE-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@](C)(O)CC1CCCCC1	1908582300	KXNWVAJXZXYRSB-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)CC1(N)CC2(CCCCC2)C1	1912720110	BNNRNKYMVPAWJB-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1N[C@H]1CCC2(CCCC2)C1	1916406342	NZVTZGYXQIVGRQ-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C1CCCCCC1	1925768905	MQALBXRARIGOJE-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1C=CCCCC1	1925791423	ONLNYPGVELNAAJ-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC[C@@H]1C=CCCCC1	1925820215	OUENEMGZOMFMKH-RBSFLKMASA-N	206.373	4.949	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)C(C)(C)C	1925915130	LPBCMQNDJPUZTC-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)CCC1(C)CC1	1940800748	RCJLSFMJNNRHLE-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)[C@H]1CCCC[C@H]1CC	1941263119	MNZOEAQKHMNMIT-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCCCCC2CC2)C1	1941587303	QXTSIWZFBIVWGJ-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@]12CCCC[C@H]1CCC2	1944155363	DNMXWAQJTTWLQN-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](C[C@@H]2CCC[C@H]2C)C1	1944795767	WUQWTGYYIZBKBQ-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCCC1(F)F	1947306708	UYTIVJPEALKOFJ-STQMWFEESA-N	247.373	4.513	0	10	BJAE	
CC1(C)C[C@@H]1CCCC1(O)CCCCCCC1	1947544103	SKOBTVWGVQIAAT-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCC(F)(F)CC[C@H](O)C1(C)CCCCCC1	1947884790	JCSLLUYOJOVUQG-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)C1(C)CCCCCC1	1948979265	JNNAFJRSAGNJIW-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CCC[C@H]1CC1(C)C	1949053175	XNBQRXLCDNRKPD-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)c1nc(C(C)(C)C)cs1	1960044446	OONAIEVAPCADQL-JTQLQIEISA-N	225.401	4.734	0	10	BJAE	
C[C@H](CCC1CC1)N[C@H]1CCCC2(CCCC2)C1	1967854866	DDOMUOWKKBGOJF-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](NC[C@@H]1CCCCC12CCC2)C1CCC1	1967865393	RTOCKDWSGPNSFR-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(N[C@H]2CCC[C@@H](CC)C2)C1	1970280429	IOCVNUNSJZWGQV-CIDNJEQPSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC(NC2(C3CCCCC3)CC2)CC1	1970594195	DCDBGEAPVWEKAU-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1N[C@H]1CCC2(CCC2)C1	1971487226	FITJPBRYUGWRDU-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCC2(CCCC2)C1	1973164106	OBXDLRILRBXPOW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)CN[C@H](C)C(C)(C)CC	1981286701	GTPBXWDTANURGV-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCC(CCC)CNC(C)(C)CC(C)C	1981290856	XJQHOQVHYOPIRH-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNC)CC(C)=C(C)C	1989652647	YZLQASRSSRVUQK-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CCCC[C@@H](C)N(C)CCCCCC(C)C	1990848209	BJYHOCPMMSLBKD-OAHLLOKOSA-N	227.436	4.713	0	10	BJAE	
CCCCCc1ccc([C@@H](C)NCCC)s1	1991779314	ZWNJITJAIPLGDW-GFCCVEGCSA-N	239.428	4.541	0	10	BJAE	
Fc1cc(Cl)cc(C[C@@H]2C=CCCCC2)c1	1993479776	RWJMOLMPHPZFQE-LLVKDONJSA-N	238.733	4.768	0	10	BJAE	
CCCCC[C@H](C[C@H]1CC[C@@H](C)C1)NCCC	1996247197	GQQOEOGOUHOVHM-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](O)(CC2(C)CCC2)C1	2001141359	VFYCRUUPTINABI-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC1(NCC2CCC(CC)CC2)CCC1	2002880818	BCWUTQDXAPILMN-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CCCC2(C)CC2)C1	2003019329	WYRNARPMSHERRY-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CCC([C@@H](N)CC(C)C)CC1	2003067297	QKLGDVVTXRLMIV-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@]1(C)C=CCC1	2003328641	FOPVDQAGMIRVAS-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC1(CNCCC2CCC2)CCCCCCC1	2004936874	GQBKBODJWHSBLP-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CNC[C@@]1(CCC(C)(C)C)CCCCC1(C)C	2005584570	XOGNVTGZBVCTSK-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC1CCC(C)([C@H](N)CCCC2CCC2)CC1	2007696519	MLSDZFORURJHLL-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)C(CC)CC	2007948548	YDWJYCGNFPOJLL-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@]1(CC2CCC(C)CC2)CCCN1	2009770409	QDPBORYNASWRQF-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC1=CC[C@H](C)CC1)c1cccs1	2010626204	QHNKYILRXGGYRE-JSGCOSHPSA-N	249.423	4.535	0	10	BJAE	
CCC(CC)(CC)CN(C)CCCC1CCC1	2011184537	SMVWPLVMRIHLMU-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCC(CC)(CCC[C@H]1C[C@H]1C)CNC(C)C	2011581266	RFYQUPXZAIZMSN-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1-c1csc(C(C)=O)c1	2013665786	AOIOFSLDGUEJAU-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2015225891	CDROFVVFOAGFHE-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](O)CCC(C(C)C)C(C)C	2015334680	HRPNONSXHBDCFA-OAHLLOKOSA-N	242.447	4.882	0	10	BJAE	
CCCC1(CC2(N)CCC(C)(C)CC2)CCC1	2015641405	DTVYSUVWLWCBPF-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cccc(C)c1F	2016146676	YZWJNFHOJOVOGP-ZDUSSCGKSA-N	235.346	4.681	0	10	BJAE	
CC(C)C1(CC(=O)CC(C)(C)C2CC2)CCC1	2017128594	FCMIGLHXPQWOMH-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CC[C@H](CCC)CC1	2017662629	KYORMCNMYLBZCM-UKCKSMAHSA-N	236.399	4.908	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)CCCC(C)C)CC1	2017729620	YNULDZSIWQAZKX-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H]2C[C@H]2CC)CC1	2017776581	QVDIALRYPLZDBT-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](CC)[C@@H]1CC1(C)C	2018075704	WJNLCQXIXULYIB-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCCC1(C[C@H](NCC)C(C)(CC)CC)CC1	2018998475	GBYIHRYWPNCOAI-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCCN([C@@H](C)CC)[C@H](C)c1ccccc1	2019112626	CNUGMAOWRLCODV-LSDHHAIUSA-N	233.399	4.648	0	10	BJAE	
CCC[C@@H](C)CN(C)C1CCC(C)(CC)CC1	2019293689	PFHZLZIWBVMDNG-QQFBHYJXSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@@H](N)C1CCC(C(C)(C)C)CC1	2020917235	HRVUKVNAYRYJAP-YMAMQOFZSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccccc1C1CCC1	2021027057	NUBWKKZZUPEPAF-OLZOCXBDSA-N	231.383	4.801	0	10	BJAE	
Cc1ccc(C(=O)CC2(C)CCCCC2)cc1F	2027274042	ASFBZAUHBGNFAI-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC[C@H](C)C[C@@]1(CC)Nc2cc(C)cc(C)c2O1	2027859138	CPAZXCXIIKAKFX-ZBEGNZNMSA-N	247.382	4.650	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)c1cccc(C(C)C)c1	2028256722	BTFOZVUUMKZKNQ-IRXDYDNUSA-N	247.426	4.882	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)c1ccc(C(C)C)cc1	2029822906	FXNUFTAMJBAADN-PBHICJAKSA-N	247.426	4.882	0	10	BJAE	
CCNCC1(C[C@@H]2CCC[C@H]2C)CCC=CCC1	2032504332	AJRCSYCXPFZAFK-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)CC(C)(C)C1CC1	2035589419	GZQZCGQMAICZHV-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2C[C@H]3CCCC[C@@]3(C)C2)C1	2036659288	BCGKUMNRLCUXMU-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](N2CCC[C@@H]2C2CCCCC2)C1	2037671202	BVJZABBJUUQNMV-JKSUJKDBSA-N	249.442	4.610	0	10	BJAE	
CCCNCC1(C[C@H]2C=CCCCC2)CC(C)C1	2038896935	HOJYWHFMIOBQCZ-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](NC[C@H]1CC12CCCCC2)C1CCC1	2039091497	JDSFWKZKAWBNJP-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC1(C(=O)c2cccc3ccccc23)CCC1	2039723403	AEGVBGWZENJGBP-UHFFFAOYSA-N	238.330	4.603	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)[C@@H]1CC=CCC1	2042019726	QRCFIIMYMRTUHA-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@H]1C=CCCC1	2043190208	HHXWOMCSVPQNBM-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCCC1(C(=O)c2coc3ccccc23)CCC1	2045564446	DGCGWWFMBZLTBN-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)C[C@H]1CCC2(CC2)C1	2049848298	IHXNSHXFUVWFJW-LZWOXQAQSA-N	249.442	4.501	0	10	BJAE	
NCC[C@H]1CCC[C@@H](CC2CCC3(CC2)CC3)C1	2049852773	CMSRQUGLJVHNII-GDBMZVCRSA-N	249.442	4.502	0	10	BJAE	
C[C@]1(CNC2CCCCCCCCC2)C=CCC1	2049979489	PBQTZFOSSXPICN-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](N)c1ccc(C)cc1	2050426723	PYOMZBJOBCGGJO-DOTOQJQBSA-N	247.426	4.991	0	10	BJAE	
C1CCCC(CCN[C@@H]2CCC[C@H]3CC[C@H]32)CC1	2052281219	ROFHWUJJWRBDOH-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CC[C@H](C)[C@H]2C(C)C)CCC1	2055549536	LRAAYSDRSYJENW-RKTXRCNFSA-N	249.442	4.536	0	10	BJAE	
CCC1CC(CC(=O)[C@@H](CC)c2ccccc2)C1	2056671924	QRGFCJAOKWGONY-XUJLQICISA-N	244.378	4.576	0	10	BJAE	
CCN[C@H](C=C1CCCC1)CC1CCCCCC1	2056878246	IMNGSHOCFBUKIL-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C/C=C/CCC[C@H]1CCCCC[C@H]1CNC1CC1	2059247398	PUGZSPWPXSBFJJ-HSSFLUBNSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C1=CC[C@@H](C)CC1	2060922013	OXAKGCFXKSNENQ-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CC=C([C@]2(N)C[C@H](C)CC[C@@H]2C)CC1	2061122422	ORCNTQLKQSIAIY-AESZEHBQSA-N	249.442	4.523	0	10	BJAE	
CCC1([C@H](NC)C2=CC[C@H](C(C)C)CC2)CCC1	2061146113	DWAGOBFHOGPKNY-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)[C@H](CC1CC(=C2CC2)C1)NC	2061737480	RKVDSKMYMBKEKQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)C1CC2(CCCCC2)C1	2062651165	IZSUWDNLHFEDHG-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2063496442	JRQCHXDKFPTVLP-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1C)c1occc1C	2063670299	BUEKMVHAGYCPGB-AWEZNQCLSA-N	243.350	4.768	0	10	BJAE	
C[C@H](CC1(N)CC2(C1)CC2(C)C)C1CCCCC1	2064009860	FBANQQHYEVZPFU-NVPAJSRCSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(NCC23CCC(CC2)CC3)CCC1	2065261932	CVCVTNWKJLSFAG-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(OCC23CCC(CC2)CC3)cc1C	2065285155	BUEJIHBDNMBEIZ-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CCC[C@H](C)CN[C@@H](C)c1c(C)cc(C)cc1C	2066315502	ZFDDDPAJBHNLCY-LRDDRELGSA-N	247.426	4.699	0	10	BJAE	
C[C@H](N[C@@H]1CCC12CCCCC2)[C@H]1CCC1(C)C	2068350642	GOYMZJLWIKKBMY-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CCCC1(CN2CCC[C@@]3(C)CCC[C@@H]23)CCC1	2069273724	PSCRXPUVKWMWTE-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCCC3(CC3)C2)CCC1	2069335886	UAQAQRSNOQDIAL-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@H](C)c2ccc(CN)cc2)CCC1	2069345728	XVTXXEBGGGUILQ-AWEZNQCLSA-N	245.410	4.609	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1(CC2CCC2)CC1	2069581991	WYSIRNYWJXNWAA-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](Nc1cccc2ccccc12)C(F)F	2069614951	OEUBLKAGDLMYKE-AWEZNQCLSA-N	249.304	4.686	0	10	BJAE	
CCCC1CCC(C=C2CCC(C)(N)CC2)CC1	2072815137	JFWVCYAASFCILE-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1cc(C)ccc1C	2077189243	FUTOKLXMXFWZTQ-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CCC(=C[C@@H]1C[C@H]1C1CCCC1)CNC(C)(C)C	2079675309	HDTANOUKHCKVQI-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc([C@H](CC=C(C)C)NC)cc1	2081781859	VFUGVPYEBKLXSZ-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CCCCCC[C@@H](C)NC1C2(CCC2)C12CCC2	2083547836	GARLTSSKSXJNLA-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1C2(CCC2)C12CCC2	2083556034	AHCUTBSBUBRCSI-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)NC1C2(CCC2)C12CCC2	2083558884	KVMDDBSUTMYANZ-CQSZACIVSA-N	249.442	4.514	0	10	BJAE	
F[C@@H](CNc1ccccc1C1CCC1)C1CCC1	2083768229	CDNZPVYCKCBBCV-HNNXBMFYSA-N	247.357	4.504	0	10	BJAE	
CC(C)C[C@@H](O)CCCCCCCC1CC1	2210527528	SOPMETPGXBGRLU-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CCCCC1CC1	2213535084	SDTMRIIDXSKRLW-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CCCCC2CC2)C1	2214584464	RCUFWFAQGWITTJ-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNC(C)C)CC=C(C)CC1	2215825489	DRKUJBKKRAYDOA-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCN[C@H]1CCC[C@H](C(C)(C)C)C1	2216248495	XVIZXHTUUDBGBT-WHJWBVKISA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC[C@]1(O)CCCCCCCC1CC1	2216878514	CXXVLWUNJOVIPM-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
O[C@H](CCCCCCCC1CC1)CC1CCC1	2216888572	JUUYWIYCKXPJCQ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)CC1(CNC2CCC2)CCCC1	2217126099	CQPGXGGPUSKGSO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@@H](C)CC(C)C	2217133443	AOZLAQMXRXRVRU-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
c1cn(CCCCCCC2CC2)c(C2CCC2)n1	2218723670	HITZKJHVPLPFTR-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
C1=C[C@H](Cc2ccnc3ccccc23)CCCC1	2220333426	XFCDFKANAKBEOH-AWEZNQCLSA-N	237.346	4.524	0	10	BJAE	
CC1(C[C@H]2CCCC(C)(C)[C@H]2N)CC2(CCC2)C1	2221025067	HUEHMEVLBHYZMP-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@]1(C)CC=C(C)CC1	2221615690	MHPAZLBZYORZDP-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(CNC[C@@H]2CCCC[C@H]2C)CC1	2221643160	MGRMQVJDTXYWPZ-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC[C@@](O)(CCC(C)C)c1c(C)cc(C)cc1C	2222006123	ZXPJGQGTXCMEOE-QGZVFWFLSA-N	248.410	4.646	0	10	BJAE	
N[C@H](C[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCCC1	2222978409	OYCWRIAUWGZREC-TXCZRRACSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)C[C@H](C)N	2244844468	ALTJJAGFCFTFCQ-ZNMIVQPWSA-N	227.436	4.602	0	10	BJAE	
CSc1cccc(NCCCC[C@H]2C[C@@H]2C)c1	2247091206	HBBBFZXIMSALEP-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
O=C(c1csc(C2CC2)c1)C1CCCCCC1	2248074893	UUWWCMNKCQZTPW-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](O)C1(C)CCCC1	2248857395	YQIMLLTXPREULH-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cccc2sccc12	2250353576	WDDZQEFYUPLWAE-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
CCC[C@H](CC)C(=O)CC[C@@H]1CCCC1(F)F	2250372077	OCOPRPZPMANSKX-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)CC1(C)CC1	2250479607	WQUGDFUYTVSZPT-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](C[C@@]12CCCC[C@@H]1CC2)NC	2251162179	JSAPGRFJWHZDGY-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)N[C@H]1CC(C)(C)CCC1(C)C	2251682692	XTAVZGQDJQFORZ-KGLIPLIRSA-N	239.447	4.616	0	10	BJAE	
O[C@@H](CCC1CCC1)c1ccc2ccsc2c1	2253062562	RKPVZZCQKAUJNI-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
c1cc2ccc(CC3CC(=C4CC4)C3)cc2s1	2253093630	NTTRLAHMMDRCKO-UHFFFAOYSA-N	240.371	4.944	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@H]1CCCCC12CC2	2253818472	OGILWKQPJJEOQM-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CC=C2CCC[C@@H](CCN)C2)C1	2253934036	FMKBDFLOZJQJJZ-INMHGKMJSA-N	249.442	4.668	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)CC1CC2(CCCC2)C1	2254115467	OYECOGFIBHJBRT-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CCCC[C@@H]1C[C@H]1C	2254539050	WPFMWCOMASOWGD-KLZNWCGWSA-N	248.410	4.764	0	10	BJAE	
CC1(c2cccc(NC[C@H]3CCC3(C)C)c2)CC1	2254982573	XFIBYFRXWLZZBL-CQSZACIVSA-N	243.394	4.586	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC12CCC2)C1CCCCC1	2255024332	MOSXCWMRBOWSJH-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
C1CCCC(NCC[C@@H]2CCCC23CC3)CCC1	2255225026	QXILOKWLUMPAAQ-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCC1CCC(NCC[C@H]2CCCC23CC3)CC1	2255239481	VGTWPHDBJQQQRM-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CC=C(CC)[C@@H](C[C@@H]1CCCC12CC2)NCCC	2255242469	AECJPVRXCZDLHR-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC1(NCC[C@H]2CCCC23CC3)CCCCC1	2255290498	GMUAPEQKIYFWRK-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCc1ccc([C@@H](O)CCC(C)=C(C)C)cc1	2256319041	XTFQYBSCQDKZEY-KRWDZBQOSA-N	246.394	4.809	0	10	BJAE	
C[C@@H]1N[C@@H](CC[C@@H]2CCCCC23CC3)CC[C@H]1C	2259278559	CBLOHNJAQJBAKN-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@]23CCC[C@H]2CC3)c1	2260516413	MQEJVMUYFVYBJK-RDJZCZTQSA-N	242.362	4.573	0	10	BJAE	
CC1(NC[C@@]23CCCC[C@@H]2CC3)CCCCCC1	2260597050	SKJQLNNVWAMGLC-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CC1CC(CC[C@@H](N)CC2CC3(CCCC3)C2)C1	2261498410	XCEKUKWEKVFIOB-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1CCCCCCC1	2300691176	QMAJWJVYBMBCGI-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC(=CC[C@@]1(C)CC[C@@H](N)C1)CCCC(C)C	2300880550	NLGUMRZSKVUACV-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CC[C@H]1C[C@H]1C	2300902927	ZDZZLZXWSWTERL-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@]1(N)CC(C)(C)CCC1(C)C	2300923292	HRIIXJYNFNGMFV-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC[C@@](O)(CC1CCCCCC1)[C@H]1CC1(C)C	2301211560	SONUQMITUXWGFK-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
Cc1ccccc1-c1nc(C2CCC2)c(C)s1	2301268926	RKEWLJFDRRDBFW-UHFFFAOYSA-N	243.375	4.694	0	10	BJAE	
CCC1(C)CCC(N)([C@H](C)[C@H](C)C(C)C)CC1	2301836393	MEUYVYIVKKXOCC-WXLSXGNJSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@@H](C)[C@@H](C)C(C)C)C1	2301961311	JNRMQFAOMIEJPH-XQLPTFJDSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CCC[C@@H]1CCC(C)(C)C1)NCC	2302751035	OEUZJPJLVCHDHR-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@H]1CCC(C)=C(C)C1	2303528101	ZBCJKSQBFVEILR-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
C[C@@H]1CCC[C@H]1c1nc(C2CC3(CC3)C2)cs1	2304457621	HWKTXTNKBCKNIJ-ZYHUDNBSSA-N	247.407	4.704	0	10	BJAE	
CCC[C@@H](CC)CCC(=O)c1ccccc1F	2307747008	KXKOKEQPLOZZNB-GFCCVEGCSA-N	236.330	4.615	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC1CCCC1)NCC	2307905718	YWNSKDFFCBWBTR-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CC1CC2(CCC2)C1	2307922883	HCRXJUINUDMIOC-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309171821	SYDOSQVMHHCRSZ-CQJMVSDSSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C[C@@]12CCC[C@@H]1CC2)C1(C)CCCCC1	2313321918	WYAZEXVUDCSWLB-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCc1cc([C@@](C)(N)CCC(C)(C)C)ccc1C	2314710370	DRKIHELRIDLWSL-KRWDZBQOSA-N	247.426	4.558	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(N)(CC1CC1)CC1CC1	2315448675	DRCDEGVJUAWPER-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CC(=CCn1nc(C)c(C)c1C)CCCC(C)C	2316515717	VVDZSJINBAOEAZ-UHFFFAOYSA-N	248.414	4.581	0	10	BJAE	
CC1=CC[C@@H](CN(C)CC2CCCCCC2)CC1	2316887233	VXXYRXOWDVUOKC-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@H]1CCC1(C)C	2317573485	QGIPBTVKVHICJG-CYBMUJFWSA-N	245.341	4.525	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@H](C)[C@H](C)C(C)C	2317998863	VPYVTJFSVNJUGS-BFYDXBDKSA-N	248.410	4.603	0	10	BJAE	
C[C@H](NCCCC1=CCCCC1)[C@H]1CCC1(C)C	2318508514	ACEAAQHZMZTSBX-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)CC1(C)CC2(CCC2)C1	2318938044	GIPIXSUTWYSLNN-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CCNC[C@]1(C2CC(CC)C2)CCC(C)=C(C)C1	2320265450	JHOUPSKBMRUROO-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1	2320414746	UDEMKHCAKSAAMZ-DAXOMENPSA-N	249.442	4.680	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)c1cccc(C(C)C)c1	2320575494	AONZRBZQMARLFR-GOEBONIOSA-N	244.378	4.819	0	10	BJAE	
CC(C)CC12CC([C@@]3(N)CCCCC3(C)C)(C1)C2	2321594815	IBHDCPONZRESJI-OFLPRAFFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@H]2CC23CCCCC3)C1	2321605103	IZGNVTDMLXGJOL-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCNC23CCC3)C1	2321629666	ABWSIJQXEMUMKF-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)CN1CCCC[C@H]1c1ccco1	2328273696	CYUQVQCNKHVVHW-GJZGRUSLSA-N	249.398	4.633	0	10	BJAE	
CCCCCCN[C@H](CCC)c1ccccc1	20002254	GOWBAVXAXAEJKR-MRXNPFEDSA-N	233.399	4.698	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1cccc(F)c1	21800248	OQBJGNAPDLRLHC-RCBQFDQVSA-N	249.373	4.698	0	10	BJAE	
CC(C)=CCC[C@H](C)c1cc(O)ccc1C	36467490	RGTJDKFRWYQBMH-LBPRGKRZSA-N	218.340	4.551	0	10	BJAE	
CC(C)[C@@H](Nc1ccccc1)c1cccs1	37186067	XBUWDTXEHDFAFB-CQSZACIVSA-N	231.364	4.557	0	10	BJAE	
CC(C)(C)C1CCC(O)(C2CCCCC2)CC1	37375649	NQDNHAAOHINORV-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@]1(N)CCCC[C@@H]1C1CCCCC1	37376843	NDODPUAUEXAPBA-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
Cc1nc(C)c(-c2ccc(C(C)C)cc2)s1	57519740	DLAVGRYDFNTDSW-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CCC)NCCC	71085290	KHFMTBWXIBAMOS-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CCCCCCC2)C1	71105231	MUGHGISMDRWIDP-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
CCCCC1(CNC(C)(C)C)CCCCC1	71127603	XFJCYCBRIXEEMA-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCC(=O)CCC[C@@H]1CCCc2ccccc21	83820519	BHJGQVXCLPYRPS-HNNXBMFYSA-N	244.378	4.646	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C2CCCCC2)CC1	86950973	CRVHILUVCSVCCQ-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCC[C@@H](C(C)(C)C)CC1	89556678	HXTCHGQYPHXBCN-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H](N[C@H]1CCCCC1(C)C)C1CCCCC1	94279338	DVRAZAYPQZLCMA-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCc1cccc(C)c1NC1CCC(C)CC1	109900226	WANZVCMTSKSILA-UHFFFAOYSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@@H](CC)CNc1cccc(OCC)c1	110166935	KXJVFINBJXVLJV-CQSZACIVSA-N	249.398	4.714	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NCC)[C@H](CCC(C)C)C1	110462363	ZDDHQJSKOMCKEQ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CN	132190103	HQHYFEIHCYFGEY-ARFHVFGLSA-N	239.447	4.604	0	10	BJAE	
Cc1csc2cc(Cl)cc(Cl)c12	146247226	DCWPUDHXOBDSPG-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
c1ccc2c(c1)CC[C@@H](CC1CCCCCC1)N2	148970029	GOLUAENEXGNLEO-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC(C)(C)C[C@H]2C)c1C	155831977	ZMPAIKUBFUIZPI-UKRRQHHQSA-N	245.410	4.930	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)c1sccc1C	164308223	FBTWMGJFRQSIAO-DGCLKSJQSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CCCC(C)C)CC1	165634425	AQSMTIZKRFAGFE-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)[C@H]1CCCCC1(C)C	226564308	IZVZIGQNKRWEEA-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(NCCCCCCC(C)C)cc1N	232541947	SJWDPPUYMKEJLD-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)C[C@H]2C)cc1C	235317116	NQOBWGGYYHMSGU-UKRRQHHQSA-N	231.383	4.540	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCCC[C@H]1C(C)C	251300599	IXUHVMZHPQHAKK-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@H]1CNCC	251408755	WQHFIRJWPHZUEP-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1[C@@H](NC2CCC3(CCCC3)CC2)CC[C@H]1C	253363337	IZYPCGAEHRWVSN-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1(C)CCCCC1	300245146	NMSVPEVDPMBEAF-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)CCC2CCCCC2)C1	302249453	KBKIXULSHJVLCN-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CSc1ccc(Cl)c2cc(Cl)sc12	306582027	CQYUEMGXEOKEEP-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)c1sccc1C	308082579	RTIJBDQEBKGPOF-OLZOCXBDSA-N	239.428	4.519	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)C(C)(C)C(C)(C)C	310374945	ZFZVZHMUKSYNSO-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@@](CCCC(C)C)(CNC)C1	317253558	UMWSRQQJKLSWRY-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)NCC1([C@H]2C=CCCCCC2)CCC1	318173669	BDMAZJSJIPIEGE-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CCC(CO)([C@H](C)C(C)C)CC1	319367864	PNQDXIWSCBNYCZ-QQFBHYJXSA-N	240.431	4.638	0	10	BJAE	
CC[C@H](NCC1=CCCCC1)c1ccc(C)cc1	379578738	FSARIRLKZAIMQM-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCC1(C[C@H](O)c2ccc(C(C)C)cc2)CCC1	381402185	WSTGJZAXTGAQGA-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
Cc1ccc(C(=O)[C@H](C)CC(C)C)c(Cl)c1	382606928	UOUCLVLTCQWLJU-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
CC(C)c1ccccc1-c1ccc(Cl)c(N)c1	383324817	TZVZYFJJNZZJNN-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)C(CC)CC	383523029	OIKNYLXSDUJPKD-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H](C)C1CCCCC1	384180880	ZIJMFLANZUZLRF-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCC(CCC)c1nc2c([nH]1)[C@@H](C)[C@H](C)CC2	385176426	ZQQDVXMBZLAUFQ-NEPJUHHUSA-N	248.414	4.779	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1C[C@@H]1CC(C)C	387667063	IXKYNXTZFLWWNN-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)c2cc(C)ccc2C)CC1	393355351	NLZICYNCFHWKGC-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)c1csc(Cl)c1	393909435	MABYPNDOYKCTKM-KOLCDFICSA-N	246.803	4.507	0	10	BJAE	
C[C@H](CNCCC1CCCCCC1)C(C)(C)C	394563447	HDFHHCIEDRKQPO-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H](NCCCC2CCCCC2)C1	395276493	XSBBTVGVBPULBD-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](c1cc(C)c(C)cc1C)[C@@H](C)C(C)(C)C	399259882	LDDSYDNLMBWVEM-ZBFHGGJFSA-N	247.426	4.555	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](C[C@H]2CC=CCC2)C1	402259917	GIMLTIUOMFEGKW-SOUVJXGZSA-N	248.410	4.764	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)c1coc2ccccc12	404312446	XLUXGDUVBTXPRY-LRDDRELGSA-N	245.366	4.505	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1(CCC)CCC1	686925085	SZJFMYVBDUJVBL-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CCc1ccc(N[C@H](C)c2ccoc2)cc1Cl	691263637	CCULVWYJCTUZNP-SNVBAGLBSA-N	249.741	4.669	0	10	BJAE	
CCC(C)(C)CCNc1ccsc1Cl	696800610	AJWTWVGIHQTSAP-UHFFFAOYSA-N	231.792	4.640	0	10	BJAE	
CCCCC[C@@H](CNC(C)C)C1CCCCC1	696857680	GHFCOUJEZDSDFK-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1c(C)oc2ccccc12	697603413	DCZUEZZIVPDOSG-CQSZACIVSA-N	244.334	4.521	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NC2CC3(CCC3)C2)CC1	697674513	VXTCJZWDGPCHNE-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC1CCC(C(=O)c2cccc(C(C)C)c2)CC1	701483896	BDYGCVRJGNUXAE-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@]1(C)CC1(C)C	702213462	GIOSEELPVRRPNL-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@]2(N)CCCCC23CCCC3)CCCC1	704489031	PFIYURNWFGCBEG-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC1CCC(C[C@H](O)[C@H](C)CC(C)(C)C)CC1	704614422	RRHYWUWRZZFWAA-JYVUQVBGSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)[C@H](C)CC(C)(C)C	704728080	KPDUDFYOXMFPIS-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
C[C@H](C[C@@](C)(N)CC1CCC1)C1CCCCC1	704850570	YNDPFBHPCPBZOK-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@@H]1CCCC12CC2	706246143	FYCFYDCTVVVTLI-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(CNCC[C@H]2CC=CCC2)CC1	706861265	IHZVHJQWVUENGE-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2CCCC23CC3)CC1	706960163	WEHQLPVUMCGDRH-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@@H](C)CC(C)(C)C	708297886	NXFQZWAKUPVHKZ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1C[C@H](N[C@H]2CC23CCCCC3)CC(C)(C)C1	708788104	LOZNBLRHOPXCKD-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C[C@H](N)CC1(CC)CCC1)C(C)(C)C	711115471	XKIICBBKUWMFEF-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CC(C)(C)C(C)C	713141182	NOOPZUVDRWDXLU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC(C)(C)C(C)C)C1CCCCCC1	713268394	PKBRWNRVQBYJID-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(O)CCCCCC1(C)C	719290548	HZHWVNKTYNXOQQ-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC/C=C/c1ccccc1	721727535	VIUPECOPZIHUCC-WQMJKPAKSA-N	245.410	4.634	0	10	BJAE	
c1cc2c3c(c1)Cc1c-3c(cc3ccccc13)CC2	888086391	JFLGQZLGOPAUAS-UHFFFAOYSA-N	242.321	4.510	0	10	BJAE	in-vitro
Cc1ccccc1SC[C@@H](C)CC(C)C	1165562094	ICZALTYHPPUDMH-LBPRGKRZSA-N	222.397	4.769	0	10	BJAE	
Cc1ccccc1[C@@H](C)Sc1cccc(F)c1	1165768434	HFXPDMDUASIUIJ-GFCCVEGCSA-N	246.350	4.987	0	10	BJAE	
C=C/C=C/CCN1CCCC2(CCCCC2)CC1	1307687366	ZXBWPMCKBZLXRV-ONEGZZNKSA-N	247.426	4.555	0	10	BJAE	
C=C/C=C\CCS[C@@H](C)c1cccs1	1458956007	DBSJOUCUISLQMQ-WYGGZMRJSA-N	224.394	4.675	0	10	BJAE	
C[C@@H]1CC[C@H](Sc2ccc3ccccc3n2)C1	1613254720	HUDXHNQIKWDPOH-YPMHNXCESA-N	243.375	4.516	0	10	BJAE	
CCCCC[C@H](C)NCC1(C)CCC(C)CC1	1659085842	URNXWIKWEZEDMR-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H]1CNC1CCCCCCC1	1659239250	CDRUQCIFEQLADW-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC1(CNCC2CCCCC2)CCC2(CC1)CC2	1875709638	YVQGTAVTOONIOI-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1cccc(CC[C@H]2C=CCC2)c1	1902962239	PAOGZRBULLWLLF-AWEZNQCLSA-N	214.352	4.709	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC1CC2(CCCCC2)C1	1912698366	SPAGJNGOAABPKF-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCC=CCN[C@H]1CCCC[C@H]1C(C)(C)C	1914680876	XLYHASAKYSJSAY-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CCC2=CCCCC2)[C@H](C)C1	1916078052	BHZHWZSSQLSUAK-GUTXKFCHSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@@H]1CCCC12CCC2	1921628640	AGKMDIOHPOFWCJ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C(=O)CCCC(C)(C)C)C1CCCC1	1924131147	RXXWJPDKOOGGKW-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)C[C@H](C[C@H]1C=CCCCC1)NC	1925758388	TXZMGMKKRZRBRX-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C[C@@H]2C=CCCCC2)c(F)c1F	1925825578	VKQWDQPRKKHHQL-GFCCVEGCSA-N	236.305	4.562	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](C[C@H]2C=CCCCC2)NC)C1	1925944717	GFNOJFYMNDEMOY-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1(COc2cccc(Cl)c2)CCCCC1	1935606213	RRVQWDAZVNBRGF-UHFFFAOYSA-N	238.758	4.689	0	10	BJAE	
CC1(C)C[C@@H]1CCCNc1cccc(Cl)c1	1935938508	YYYGIJDAWYDXLN-NSHDSACASA-N	237.774	4.578	0	10	BJAE	
CCCCC(=O)CC[C@@H](CC)CC(F)(F)F	1939119930	XXFDOFJZOMTOEM-SNVBAGLBSA-N	238.293	4.505	0	10	BJAE	
CC1(CC(=O)CC(C)(C)C2CC2)CCCCC1	1940377184	FSADJRCPMOKFPT-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H](N)[C@@H](CC2(C)CCCCC2)C1	1940410563	RZNJDPZQXDPOIQ-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C)C1(CC2(C)CCCCC2)CC1	1940418223	ZZOZRSXFYNJCPW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C=CC=CCCC(=O)c1ccccc1C(C)C	1940624536	FTRHQUCPAWZDRB-UHFFFAOYSA-N	228.335	4.515	0	10	BJAE	
CC1CC(CC(=O)c2cccc3ccsc23)C1	1940682492	MBQAXXUKQJZSGK-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CCCC2(C)CC2)C1	1940871184	AIBMDBWOQMHKQS-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H](CC(C)C)C(C)C	1941268052	ZZSQFNXNZLFWKC-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@@H](C)CCC(C)C	1942665655	ZONCRGWZHYOSIA-ARFHVFGLSA-N	241.463	4.848	0	10	BJAE	
CCCC[C@H](CC)CC1CCC2(CC1)C[C@H]2N	1942917186	QFBQXBYFXIBIDQ-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC)[C@]12CCCC[C@@H]1CCC2	1944136831	OEKSVORXBMLHCZ-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
Clc1ccc(NC2CCC3(CCC3)CC2)cc1	1944601050	ZUIYZQTYIBNGGW-UHFFFAOYSA-N	249.785	4.865	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NCCC1(C)CCCCC1	1945432264	MCZQOQLRTOHFLT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCC1CCC(N)([C@@H]2CCC2(C)C)CC1	1945759432	VJZXXYGWCOBEMK-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NC1CCC(CC)CC1	1947453452	PIXYTZVNHKKVPW-GRAKBVBRSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(O)CCCCCC1CC1	1947525932	PSWKGVLQNBKPOW-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CC1(N)CCCCCCCCCCC1	1948987424	VNSUMUCCUWZBIE-UHFFFAOYSA-N	237.431	4.955	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@@H]1CC[C@@H](C)C1	1949522383	YZHBWSAUKXZCDP-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC[C@H](O)CC1CCCC1)CC(C)(C)C	1949866091	GNCLZQGCIHDTBT-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2CCC2(C)C)CC1	1950917404	FNDCUCIZFXSCFX-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1C(C)=CCC[C@H]1C	1951006340	NFFJFKDZFOBZOX-QLFBSQMISA-N	238.415	4.556	0	10	BJAE	
Cc1cccc(N(C)CC2C[C@@H](C)C[C@H](C)C2)c1	1964110342	TYVBYSZQRHUUHL-GJZGRUSLSA-N	245.410	4.504	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CC1(CC(C)C)CC1	1966526176	JBRPXAAYCSJKLS-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](C)CN(Cc1ccccc1)[C@@H](C)CC	1968431711	FFCVXKKZLWKIRA-CVEARBPZSA-N	247.426	4.723	0	10	BJAE	
CC1(CCCN2CCC[C@@H]2C2CCCCC2)CC1	1968698092	GDPOCBHJLIBKMQ-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H](C)C1CC2(CCC2)C1	1968860318	XRBFUXZJAQLOAS-SQWLQELKSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@H]2C(C)C)cc1C	1972020635	IATZFCAEUQVOPU-DLBZAZTESA-N	245.410	4.794	0	10	BJAE	
CCC1(CC)CC(NC2CC3(C2)CC(C)(C)C3)C1	1972937430	AXHAPDSQIJUDNE-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCC23CCC(CC2)C3)C1	1973948706	LHMZJTCMVLODDE-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@H](CC2CC(C3CCC3)C2)CCC1	1974912690	ZBYZGYMJGJSUFA-OPFPJEHXSA-N	204.357	4.559	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C1(C)CCCCC1	1975572365	BIIAJVFEAQUZDI-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](NCC)C(C)(C)CCC	1976011758	ZAXXLFJRAOIAFU-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC(C)(C)C)CC1	1989785556	PCNAUPDWMSHZEV-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CCCNc1ccccc1	1995258944	JCSRDWBUHSUDLX-AWEZNQCLSA-N	219.372	4.705	0	10	BJAE	
CC(C)C[C@H](C)CN(C)CC1(C)CCCCC1	1995984312	YLXIAIJDFFZNKC-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
C[C@H](Nc1ccc(F)cc1)C1(C)CCCCC1	1995988767	PXWCQKRWYQMTQW-LBPRGKRZSA-N	235.346	4.597	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](N)C2(C)CCCCCC2)C1	1996229321	PMGDMIURQDFRPU-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@H]1CC[C@@H](C)C1)C(C)(C)C	1996273020	XMJWIKWDZMVFDQ-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@@H]1CCCC[C@H]1C	1996590571	WPYRCVDUOXCEQR-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](C)C1CCC(C)CC1	1996595403	VNNSBMNBRRGLIY-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)C1CCC(C)(C)CC1	1996595415	VRWIMHNQKOJSOC-CZUORRHYSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H]1CCC[C@@H](C)CC1	1997209331	VYTCFEHRUNSFCJ-ZBFHGGJFSA-N	237.431	4.633	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@]1(C)CCCCC1(C)C	1997428240	DXWXHZVRDYCUKO-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@H]1CC=CCC1	1997546395	LPJJYDTVHDOXHH-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@]1(C)CC=CCC1	1997552439	RDFGXSHPXLOYQI-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)[C@H]1CCCC(C)(C)C1	2000096433	IUUFJJRYBDHHEZ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@@H]1CCCC(C)(C)C1	2000176335	NGZLBNYQEFHNQZ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](N)[C@H]2CCCC(C)(C)C2)CCC1	2000177759	CFSKNLGJFVRMHX-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CC(=O)C[C@@H](C)c1ccccc1	2000190594	PXOHYRBBEPWUMP-UONOGXRCSA-N	232.367	4.576	0	10	BJAE	
CCN[C@@H](CC)C1CCC2(CCCCC2)CC1	2000275766	UHQPYWWZYPZRJI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)C[C@H]1C[C@H]1C	2000506171	YTPSYAPQUFDNOV-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CCC1CCC1)CNCCC	2000521123	RDTOBWYVPNLAGS-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC1(C[C@@](C)(N)[C@H]2CCC[C@@H](C)C2)CCC1	2003017386	RVNFOFGXYWHVDI-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)N[C@H](C)[C@@H]1CCC[C@H](C)C1	2003028092	SOULHSMMRJDAIL-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
N[C@H]1CCCCCC[C@H]1CCC1CCCCC1	2003097200	DSBARNBWQMCGEL-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@H]2CCCCCCC2=O)C1	2003115712	CSQRAPZNAZDLPH-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCC1(C)CCC(O)([C@H]2CCC[C@@H](C)C2)CC1	2004339134	LQAIAHBDKOARCA-QVOMUQBLSA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@@H](O)C2(C)CCCCCCC2)CCC1	2004921405	VQBHVRVWAPIIEE-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2CC[C@H](C)C2)CC1	2007681313	JCJBCGYQDYQUOO-IOSBVQAASA-N	236.399	4.598	0	10	BJAE	
CCC1CC(Cn2ccc3cccc(Cl)c32)C1	2007768125	VQUXGPSZDHPWIB-UHFFFAOYSA-N	247.769	4.731	0	10	BJAE	
C/C=C/C[C@]1(CNC(C)C)CCCC(C)(C)C1	2008071183	CFNJAFOXPALDMG-MOEXGYKKSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1C[C@@H]1CCC=CCCC1	2009245355	ZVVXPOZACFWAKI-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@H](N)[C@H](CC2(C)CCCC2)CC1	2009404576	OYCQFDZHWCOGHH-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@]1(O)CCC[C@@H](C(C)C)CC1	2009588682	ANUWXEQVIFHGBM-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC=CCCCc1cc(C(F)(F)F)ccc1C	2009595226	JJASTGSAEALLDS-UHFFFAOYSA-N	242.284	4.913	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@@H](C)[C@H](NCCC)C1	2009618460	BWDHQQIKTJRJRG-PSVUTLLTSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H]2CCCCCC2=O)CC1	2010783145	SBBNUZFRTLTTFV-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
C=C=CCC[C@H](NCCC)c1ccccc1Cl	2010989035	PAWGXQZWKAMHNO-HNNXBMFYSA-N	249.785	4.502	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011951025	YYMAJWWGKIOSEI-QKDCVEJESA-N	236.399	4.598	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@H]1CCC[C@@H](C)C1	2013271985	XQCQOBQCSHSQOT-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@H]1CCCC(C)(C)C1	2013309322	OLHSXBCIIKFTKS-CABCVRRESA-N	239.447	4.712	0	10	BJAE	
CCc1ccc(N[C@@H](C)C2(C)CCCC2)cc1	2014339008	RIYJSSDUPFNJAC-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCC[C@@H](C)C2)CCC1	2015589641	XVNPKPBWNAMQNR-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@](N)(CC)[C@H]2CC2(C)C)CCC1	2015644105	JKYZPEISRFLJNG-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@]2(C)CCC[C@@]2(C)O)CC1	2017711422	CSKYSWNNLSSALE-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)CC2(C)CC2)CC1	2017723861	LQIKGOXIPHBHRM-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1CC[C@H](C)CC1	2017774711	RVYQLTSTEQFWKC-NNUKFRKNSA-N	232.367	4.509	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017776448	PDKGGLMNNXLBIK-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2C=CCCC2)CC1	2017777898	RABMPLOAGKIAAS-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@@]1(CC)CCNC[C@@H]1CC(C)C	2018134511	PENRPKAAYYJHLM-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc2ccn([C@@H]3C=CCCCC3)c2c1	2019532432	LTWKWIPHQZWGFU-OAHLLOKOSA-N	225.335	4.621	0	10	BJAE	
C[C@H](CCC(=O)CC1CCCCC1)C1CCC1	2019862012	RFJZGBDIZMNXBV-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(N)CCCCC[C@H]1CC	2022564985	YWDWEMKFDJXWFF-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CCC[C@H]2CCCC[C@@H]21	2022993472	NATBAGSFZHQQAL-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1C[C@H]1CCCC(C)(C)C1	2024091255	GVBOMCDVHCZPKF-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCNCC[C@H](C)C[C@@H]1CCCC(C)(C)C1	2024096895	WNUJSQURCKFJFX-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)C[C@H]1CCCC(C)(C)C1	2024101662	MFQRNEHNANHVRZ-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(O)C[C@H]1CCCC(C)(C)C1	2024128816	PUXBRHBUPCPFEB-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CC[C@@H](C(C)C)C1	2025574016	COLHHHMVGSCFPB-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CC(C)Cc1coc2ccc(C(C)(C)C)cc12	2026531609	PDHVRRDLRSBOHO-UHFFFAOYSA-N	230.351	4.929	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)c1coc(C)c1	2027312421	VRFPOXAPPUYDBV-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCC1(C[C@H](N)c2ccccc2C(C)C)CCC1	2027516938	AQMIPULCENALPR-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
C=CC=CCC[C@@H](CC[C@H]1CC1(C)C)NCCC	2027813332	VLMMDUCAHHOHEG-HOTGVXAUSA-N	249.442	4.703	0	10	BJAE	
CCCCC[C@@](C)(O)c1ccc(C2(C)CC2)cc1	2028609493	OIJRMBZESKRJJY-QGZVFWFLSA-N	246.394	4.526	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H](C)CCC(C)C	2029823189	GVVIHYOOZDLUNU-AWEZNQCLSA-N	246.394	4.894	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@H]1CCC[C@H]1C	2032483595	KMQXUWCTBUGHTB-ZIAGYGMSSA-N	244.378	4.819	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@H]2CCC[C@@H]2C)cc1	2032557292	KPPJCNSMNCVRIG-IAOVAPTHSA-N	246.394	4.670	0	10	BJAE	
CC(C)(C(=O)C1[C@H]2CCCC[C@H]12)C1CCCCC1	2033469423	HLJMTSUGHABORF-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C(=O)c2cccc(C(C)(C)C)c2)C1	2036321559	NSPGRKPCHKDQAP-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@H](NCCCC1CCC1)C2	2036659942	GXBDPSNWWFPCCM-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CC(C)(C)C(C)C)cc1C	2037126949	MGYISCRZVLYLBZ-INIZCTEOSA-N	247.426	4.684	0	10	BJAE	
CC(C)(CC[C@](C)(N)[C@@]12CCCC[C@@H]1C2)C1CC1	2037159401	NROOYKRFJDWMCA-HYVNUMGLSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)CCCCCC2CC2)C1	2037207483	XQKXSGNPPDLSRI-JQFCIGGWSA-N	249.442	4.667	0	10	BJAE	
CC1([C@@](C)(N)CC2[C@H]3CCCC[C@H]23)CCCCC1	2039873445	WJLYIGLKKUHNEC-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(C1=CCCCCCC1)C1CCCCC1	2040648650	VPSZAJOVJWXYIJ-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCCN[C@H]([C@@H]1CC=CCC1)[C@H]1CCCC[C@H]1C	2042015553	BDLUVZZGUUNSBX-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]([C@@H]1CC=CCC1)[C@@H]1CCC[C@H](CC)C1	2042025765	YINCKNHATBIQCR-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@@]1(CCC[C@@H]2CC2(C)C)CC=CCC1	2042091803	OTXQSPYUGRQGCP-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@H]1N[C@H](C)CC1=CCCCC1	2043195122	RMZMICDMVXRPGQ-SQWLQELKSA-N	249.442	4.680	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H]1CCC2(CCC2)C1	2043612001	LMFMNAWPMNSONU-GOEBONIOSA-N	247.426	4.578	0	10	BJAE	
CCc1ccccc1OC[C@H]1CCC=CCCC1	2045311212	IPEUCEVAPRCBSM-HNNXBMFYSA-N	244.378	4.764	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@H]1CCC=CCCC1	2045318029	RDIORGACTJUKDR-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)C[C@@H]1CCC=CCCC1	2045320027	JJVCOGGYRUAGSF-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C[C@H]2CC23CCCCC3)C1	2047055610	MGILCWWLEFMTRN-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1CC1)[C@H]1CCC2(CCCCC2)C1	2048127042	GZFVHITVNAAFIP-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](N)CC2[C@@H]3CCCCC[C@@H]23)CCCCC1	2048475507	RUZMYKAXAHMHCH-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCC1=CCCCC1)[C@@H]1CCCC(C)(C)C1	2049544371	SNJLMQNJZHVQGJ-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1[C@@H]2CCCCCCC[C@H]2C12CCCC2	2049673881	YTTBQDJUZMQVKL-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC2CCC3(CC2)CC3)C1	2049860729	SZGZVIQCJNYBQI-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C[C@@H]1CCC2(CC2)C1)C1CCCCCC1	2049861501	CZJVRMMTEVYNRF-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)c(NCC2CCC3(CC2)CC3)c1	2049865836	NPXFEGMPZMDGFQ-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@@H]2CCC3(CC3)C2)C1	2049950754	JPOHOAXTJHMYHW-AEGPPILISA-N	246.394	4.518	0	10	BJAE	
Cc1cc2ccccc2n1C[C@@H]1CCC2(CC2)C1	2049953565	GHAZBPFEVZHTAI-CQSZACIVSA-N	239.362	4.530	0	10	BJAE	
Cc1ccc([C@H](O)CC2=CCCCCCC2)cc1	2050429536	KEKKXTJFEPRLJA-QGZVFWFLSA-N	244.378	4.699	0	10	BJAE	
CN[C@H](CCCC1CCCC1)c1cccc(C)c1	2050441712	PHJKYJAWDISFMY-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
Cc1ccc([C@@H](O)CCC2CCC(C)CC2)cc1	2050442349	VFBHOIMEVAUYAK-PGEKIEPBSA-N	246.394	4.635	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCCCCCC1CC1	2050456275	OYQVALRPUXWQJS-KRWDZBQOSA-N	245.410	4.745	0	10	BJAE	
CC1(C)CCCC[C@H]1CN[C@@H]1C=CCCCCC1	2053383816	NAUZSIBUKHLCNQ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C(CNC[C@@H]1CCCCC12CCC2)CC1CCC1	2053433537	HLGMNXZJFSVXJK-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C1(C2CC2)CCCC1	2057608797	JUSNNMFYJLHDBH-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(NC[C@@H](F)C2CCCCC2)c1C	2058032545	YMNZHYCTSKWDNN-OAHLLOKOSA-N	249.373	4.634	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@@H]1CC(C)=C[C@H](C)C1	2059173253	QXSYTKSUGIKYOL-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCCC[C@@H](NCC)c1cccc(F)c1	2059248157	ZGDNUSGWFYAQON-LLCTXKFZSA-N	249.373	4.613	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)C1(C(C)C)CC1	2060923151	WKSUUFSXOSHXRR-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)C2(C)CC(C)(C)C2)CC1	2061140584	OOEKNYYZJHQGPC-UKRRQHHQSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1CCCCCC12CC2	2062022202	BNDVXJWXXMJVLW-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)CC12CCC(CC1)CC2	2065285143	BQJAPISILSMKPX-GYMHETDLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cnccc1C(C)C	2065993908	YIGSJJCWTHXCLP-AWEZNQCLSA-N	248.414	4.832	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C[C@H]1CC12CCC2	2069207729	LHBWQSXQRBJUCG-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN2CCC23CCC(C)CC3)CCC1	2069278260	HHLDKDJRSFVGTB-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCC1(CC2CC2)CCC1	2069504650	DILYCWFYXNXTGR-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CCC(=O)C1(CC2CC2)CCC1)C1CC1	2069509340	MXRHZRAWFJPNTF-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(CCC(=O)C1(CC2CCC2)CC1)C1CC1	2069565041	ZRPXMEUEAYLPRA-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1(CC2CCC2)CC1	2069581993	WYSIRNYWJXNWAA-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)C[C@]23CCC[C@@H]2C3)C1(C)C	2070956423	VWAFBJYZLTWEAD-BQGCOEIASA-N	248.410	4.598	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@]23CCC[C@H]2C3)CC1	2070966611	JGULHNGRPPWQBE-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@](CNC2CC2)(CC(C)=C(C)C)C1	2072407256	FUKNROAXRTUHIM-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CN(C)[C@H]1CCC2(CCCCC2)C1	2072411643	RNBWXXCQEFGNEK-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CCCC1CCC(C[C@@]2(C3CC3)CCCN2)CC1	2072802652	ZYRIVUDINOWPPA-VMBOVVBDSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@](N)(CC)c2cccc(C)c2)CC1	2074571177	JNIZEYLOEAUGJD-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CCCC1(C[C@H](NC)c2cc(C)cc(C)c2)CC1	2074642054	PJXQIOSMLHNWMG-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCCCC2)CCC[C@H]1C	2075363008	OKODBXOBFIDQJB-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@H]1CNc2c(cccc2C2CCC2)C1	2077265571	WSEHILOPUFEXQG-CQSZACIVSA-N	243.394	4.584	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@@H]1C[C@H]1C1CCCCC1	2079426398	ARVFZRXTTUSNIB-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@@H]2C[C@H]2C2CCCCCC2)C1	2079487819	SBJGFIWIOBOQNQ-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCCCc1ccc(NC[C@@H]2C[C@H]2CCC)cc1	2079656055	LOYVILXOYQUJFQ-CVEARBPZSA-N	245.410	4.877	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)[C@@]12CCCC[C@@H]1CCC2	2079851794	NDWHUUBGXAEPNU-PNBKFKSVSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2C[C@@H]2C2CCCC2)CC1	2079867810	VSKFXFNEQCDDBZ-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2081137490	PTSJLOYNNGYPQO-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@H](C)NCC(C)(CC)CC	2081217117	QMRUGIRCMYPCEW-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2CC3CCC2CC3)C1	2083014256	LVISJMWQTFYZGH-CVSAEHQPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@@H](C)CC(C)C	2214565620	OFMSPASLBYOKPK-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC[C@H]1C[C@@H]1C	2215333776	QBLYZEMIFNCUGG-ZFWWWQNUSA-N	232.367	4.543	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@H]1CCC[C@H](C)CC1	2215336645	YJFOUIRZUOXVAJ-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H]1CC=C(C)CC1	2215812209	IVFYNCIWOIVXJY-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](C)C[C@@H](CN[C@H](C)CC)C1CCC1	2217128092	YQWPIODUIMBRDM-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@H](CC(C)(C)C(C)C)C(C)C	2217145599	REBOPXCTYYXRGK-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CCC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1=O	2218335299	UZWZLMLKNWSPMN-RBZJEDDUSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCNC12CCC(CC1)CC2	2218734870	JJCLMTHODGHKNA-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@]1(C)CC=C(C)CC1	2221621027	CICZVFXHSFGNAA-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C1(C(C)(C)C)CCC1	2221999235	HDFPOXPOVCIHPD-OAHLLOKOSA-N	245.410	4.520	0	10	BJAE	
C1CCC(C[C@H](CNC2CCC2)C2CCCC2)C1	2223542749	SZGNPEYOXDXQOY-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1ccc2occc2c1	2224129785	AZXNHMZGOGQJEP-OAHLLOKOSA-N	246.350	4.683	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCC1CCCCC1	2244773843	CTFJKDLJPQXVCM-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCCC(C)(C)C)NC	2244785175	WNXGKHMYDKOIHE-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC1CCC(N)(CC[C@H]2CCC[C@H](C)C2)CC1	2246727613	NQAGBYYJJNEHDT-PWUWZPNHSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)C1CCCCC1	2247112781	MGEQNOBYNRXBRF-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CCCC[C@@H]1C[C@@H]1C)CCC(C)C	2247175173	IHGALJOGUXMJJK-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@]1(CN[C@@H](C)CC)CCC12CCC2	2247325999	IAOVYXVPBIHOAC-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)[C@H](O)c1cc(C)c2sccc2c1	2248567340	JYMBRGCVLUSABT-AWEZNQCLSA-N	248.391	4.679	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CCCCC[C@@H]1C[C@@H]1C	2248809346	RINGLTQKMCUWTI-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CC1CC(C(C)(C)C)C1	2250367531	AJGFRMNJOVJXKM-JYVUQVBGSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)CNC1CC(C)(C)C(C)(C)C1	2250387026	NBHXZXANTSLAAI-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@]1(CN)CC1(C)C	2250467270	OZLZZPNITDIDQK-ZBFHGGJFSA-N	239.447	4.604	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(N)CC(C)C	2250514893	UFPNUMDLZQVFMI-JKSUJKDBSA-N	241.463	4.993	0	10	BJAE	
Clc1cccc(NC[C@@]23CCCC[C@H]2CC3)c1	2251172878	WLIDDHGAGAYOIX-WFASDCNBSA-N	249.785	4.722	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@H]1CCC12CCC2	2255013114	LPDGXUJDZJASIB-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
NC[C@]1(CC2=CCCCC2)CCCCC12CCC2	2255137835	REJGZWRRZXPMLP-QGZVFWFLSA-N	247.426	4.566	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CCCC12CC2)C1(C)CC1	2255292943	ZQFYRYDVMNQBNG-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
FC1CCC(Nc2cccc(C3CCC3)c2)CC1	2259208509	CBOQEHFAQXERJC-UHFFFAOYSA-N	247.357	4.647	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)c1cc2ccccc2o1	2259440595	HGPDOKZLIOHGIV-MLGOLLRUSA-N	245.366	4.520	0	10	BJAE	
O=C(CC1CCCCC1)C[C@]12CCCC[C@H]1CC2	2260569715	NHOOPCTZZNFEDB-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CC1(C)C[C@](N)(C[C@@]23CCCC[C@@H]2CC3)C1(C)C	2260678569	LWYRJUZCZJVDHS-COXVUDFISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@@]1(C)CCC[C@]1(C)O	2298474305	AYMRSGADGPCRMA-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCC(C)(C)C1CC1	2300503843	RLQBHWBFXHMCMA-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@H](NC)C1(C)CC(C)(C)C1	2300679277	RKTLMLDDFXXDEZ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@](C)(CNC)C1CCCC1	2300697773	SKTYMCODHFPKTQ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CCC(N)(CC1CC1)CC1CC1	2300698150	XFMHVAHZUJKNLX-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCNCC1(CC=C(C)CC)CCCCCC1	2300870943	ZRRSOPCLGHKYMQ-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](N)CC1CCCCCC1	2301240894	DPBXKDDSTYQGHK-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(CN(C)[C@H](C)[C@@H](C)C(C)C)C(C)C	2301702753	ZYQBKSCGQTWYDP-LSDHHAIUSA-N	241.463	4.527	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](C)[C@@H](C)C(C)C	2301713169	FEKQJIVUSQCISM-JJXSEGSLSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)NCCCCCCC1CC1	2301720914	UPAXYNMQNMUBOF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@H](C)[C@H](C)C(C)C)C(C)C	2301965728	WPEMCYVPXCHDOA-KFWWJZLASA-N	240.431	4.802	0	10	BJAE	
CCC1(NCCCC2=CCCCC2)CCCC1	2302323409	OPRSBBOJDKTGDW-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
O=C(CCCCC1CC1)C[C@@H]1C=CCCCC1	2302570672	BNPUVURHXMUMOF-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC[C@@H]3C[C@@H]32)c1Cl	2302835950	IXRSJNALPXPZBP-FRRDWIJNSA-N	249.785	4.639	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)C[C@H]1CCC(C)(C)C1	2302900373	DFIUYTBZCUMYLV-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCC(=O)CC[C@@H]1CC[C@H]1C1CC1	2303154123	IGILEDYIQSOOAT-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCNC[C@@H]1CCC(C)=C(C)C1	2303458192	CVXIVODFQPRQHP-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CCC[C@H](C)CC1	2307817415	OYLMMJQBGGAKOP-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN)CC12CCCCC2	2307845786	VCJRNBBQIQRYSF-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@H]1CC=CCC1	2307900273	AKZNXIRQNFWTOP-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC[C@H]1C[C@@H]1C)NCC	2307907202	KFYSXRRRLQOCKQ-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CC1CC(CC)C1)NC	2307908233	GMLZFMXNGYUTQY-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCC1CC(C)C1)NC	2307911001	RBTXRZPBGSECIM-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
c1cc(N[C@H]2CC[C@@H]3CC[C@@H]32)cc(C2CCC2)c1	2308175605	FLIVQAZYDYJZKN-JQFCIGGWSA-N	241.378	4.555	0	10	BJAE	
O=C1CCCCCCCC[C@H]1[C@H]1CC[C@@H]2C[C@@H]2C1	2309129417	FRWOMCJDVSXSAI-QXSJWSMHSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2311021089	JYQVBFJTRAAQLQ-ABPIDSFRSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@]23CCCC[C@@H]2C3)CC1	2311200656	ZCBALMZILJWGJY-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CC[C@@H](N)C[C@@H]1C[C@H]1C1CCCCCC1	2311746040	NICFQWVPNINOBG-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2C[C@@H]3CC[C@H]2C3)CCCCC1	2312914252	DAFNHJIHZQCUCV-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@@]12CCC[C@H]1CC2	2313336454	SHJSRLPMTRLAGE-MPTYRVRUSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@@H]1C[C@H]1C1CCCCC1	2313601061	VVAHRVJEFQXVDI-UHOFOFEASA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H](C)C1CCC1	2315867777	JRELGWWUJGUONC-CQSZACIVSA-N	245.410	4.967	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316878484	OFEANQOHNOFLIL-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@]1(CNC1CCC1)CC1CCCCCC1	2317000317	BIDHDQSMQIUBOB-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(F)cc1NCCC[C@@H]1C[C@@H]1C	2317920514	POJBKNVVPSQJDX-QWHCGFSZSA-N	249.373	4.797	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C2(CC3CC3)CCC2)C1	2319291029	NHXOBWVLBJGBKY-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@@H]1CCC(C)=C(C)C1	2320391320	SEMMAIQDCMWTKC-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1CC[C@@H]1C	2320409211	RYWHIKGMLKWDHN-PQEBFOHHSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C(=CCCCCCCC2CC2)CCN[C@@H]1C	2321292379	HXOHYRFUESTGBW-HUUCEWRRSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@@]2(C)C=CCC2)c1	2327782463	QGCVMQQFVVRWNK-KRWDZBQOSA-N	242.362	4.657	0	10	BJAE	
CCCCCCc1ccc([C@@H](CCC)NC)cc1	2327898206	GZACSJONLIVVCZ-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
Clc1ccc2oc(C3CCCCC3)nc2c1	1464164	JZZCEICMAMXQDA-UHFFFAOYSA-N	235.714	4.529	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1C	20555601	UQIRIHLCEMFMTB-BLLLJJGKSA-N	245.410	4.930	0	10	BJAE	
CC[C@@H](C)Nc1ccc(SC(F)(F)F)cc1	37067897	QLYQYIZEMVDMCQ-MRVPVSSYSA-N	249.301	4.509	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)c1occc1C	50328679	TVFQYQPGYKJVCF-HNNXBMFYSA-N	247.382	4.519	0	10	BJAE	
CCCN[C@@H](c1sccc1C)C(C)(C)CC	54402967	IITNWEUGKUFTIL-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(OCC)cc1C	69377717	IUJASVYSOPREMD-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
C[C@H](C[C@H](O)c1ccc(Cl)s1)C(C)(C)C	82628621	GQYOOOZUUORMJY-BDAKNGLRSA-N	246.803	4.507	0	10	BJAE	
CCCCC[C@H](O)c1cc(Cl)cc(Cl)c1	83505410	VUOWTJQLWXALIZ-LBPRGKRZSA-N	247.165	4.607	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CCC[C@H](C)C2)CC1	85078791	SYUZYWMMZDFRKC-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)C1CCCC1	87948013	HQWWHNFJDSOQCK-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)Nc1cc(C(F)(F)F)ccc1C	91478419	WJAXQQBKYPFEHX-UHFFFAOYSA-N	245.288	4.614	0	10	BJAE	
CCc1cc2cc(C(C)(C)C)ccc2nc1Cl	104184326	JKCNROSTYJAHNM-UHFFFAOYSA-N	247.769	4.748	0	10	BJAE	
CC(C)CC(CC(C)C)NCC1(C)CCCC1	104439933	QALRTXBDPKICPW-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)c1ccc(C)cc1	109720093	YUMKJSRITIUZKN-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
Cc1cc(C)c(CNCCCCC(C)C)cc1C	134286792	LFCSJUKJAFLFAO-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
CCCCCC[C@@H]1CCCC[C@H]1CNCCC	155610878	ZZUAEGMTZGYEQY-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CN[C@H](c1cccc(C)c1)C1CCCCCCC1	159031726	FVPMCJXKRMJLAQ-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CC[C@H](C)c1ccc(Nc2ccccc2N)cc1	201826115	IBVSPCKZKVHGNX-LBPRGKRZSA-N	240.350	4.526	0	10	BJAE	
Cc1cccc(C)c1CN[C@H](C)CCCC(C)C	215369428	GJXFZJAVMCBPAT-MRXNPFEDSA-N	247.426	4.608	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1CCCC1(C)C	226818947	RQHIBRCHEASOKI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2C[C@@H](C)CC[C@H]2C)c(C)c1	227028853	PNHDZVGFNUIMMY-NORZTCDRSA-N	245.410	4.848	0	10	BJAE	
CC(C)C[C@H]1CCC[C@H](NCCC2=CCCC2)C1	228582099	MVCKDEHGMDDLKH-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CCC12CCCCC2	230173286	XBYUMCUUDLFSKC-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CC(C)(C)C[C@@H]1C	232545667	HVIJWBRAVSYABC-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CCC1(CNC[C@@H]2CC(C)=C[C@@H](C)C2)CCCC1	233050379	SYEBCQNJGYWWTP-ZBFHGGJFSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1scc(C)c1Cl	233272673	MGAJULMLBDXGNX-SCZZXKLOSA-N	246.803	4.570	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)C1(C)CCCCC1	234047356	HQSZZVNWPQARPW-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1CC[C@H]2CCCC[C@H]2C1	251193355	SXFZQGUKZGGTMP-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C)CCC1CCCCCCC1	300865038	ONCBFTSICAUAFK-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCNC[C@H](C)[C@@H](C)CCC1CCCCC1	302247583	JELPQANPLSLCMX-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NCC1CCCCCCC1	305912169	IVYABKPDPBWLJB-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCc1cc2c(SC)c(Cl)ccc2s1	307640883	HMCAZEWOUMNWLE-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1ccc(C(C)C)cc1	309992464	HZQQYEFXKHNIEY-CZUORRHYSA-N	234.383	4.526	0	10	BJAE	
Cc1oc(C)c(C(=O)C[C@H]2CCC[C@@H](C)C2)c1C	311026164	RWCRHBMZSOKPLS-YGRLFVJLSA-N	248.366	4.604	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC(C)C)CC[C@@H](CC)C1	318069975	MLOZKRHIQVQFSK-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C(C)C)C1(CC)CCCC1	319585411	JLWIAODPWCTJDR-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](N[C@@H](C)c1ccc(C)c(C)c1)C1CC1	324115807	OVFUHYFHAHVSJK-WMLDXEAASA-N	245.410	4.533	0	10	BJAE	
CCc1cccc(C)c1NC(C(C)C)C(C)C	380137193	FOWYFTUJDWGMDV-UHFFFAOYSA-N	233.399	4.650	0	10	BJAE	
CC[C@@H](NC1CCC(C)CC1)c1cccc(C)c1	380595900	FNPPOGWLKJUJNF-QWFMPGPPSA-N	245.410	4.614	0	10	BJAE	
CCCC1(NCc2ccc(C)c(C)c2)CCCC1	382247606	CYACNLDACPZGIA-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
Cc1ccc(OCCCCCC(C)C)cc1F	383219450	DWHYHXVLLHBUMC-UHFFFAOYSA-N	238.346	4.729	0	10	BJAE	
C[C@H](CC(=O)CC1CCCC1)C1CCCCC1	384163433	UOGGJCYGIDLCHD-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](Cn2ccc3ccc(F)cc32)C1	385279788	KGEGMAQUVDPGLV-CHWSQXEVSA-N	245.341	4.607	0	10	BJAE	
CC1(C)CC(Nc2c(Cl)cccc2Cl)C1	395290030	JUWIAWWWCRCNRI-UHFFFAOYSA-N	244.165	4.594	0	10	BJAE	
CCCN[C@@H](CCC1CC1)CC1(CC)CCC1	395495773	KGIGTYXOKJSZCX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CSc1c(C)c(C(F)F)cc2ccsc12	396402849	HJDNLYLSCOELRA-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CCC)[C@H]1CC1(C)C	397699760	RAUFRVHCEZTTSQ-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@H]1CC=CCC1	402114551	CFRCGGMOFGIJJL-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
C/C=C\c1ccccc1OCc1cccc(C)c1	605790551	SDNZAMGTTRBTJG-CLTKARDFSA-N	238.330	4.607	0	10	BJAE	
Cc1ccc(NCCCC2CCC2)c(Cl)c1	688373153	YQVKLUSMRVEOQX-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CC(C)[C@H](C)Nc1cccc(-c2ccccc2)c1	689639946	NEUZZTDHGQHKIL-AWEZNQCLSA-N	239.362	4.810	0	10	BJAE	
C[C@@H](C(=O)c1cccc(C2CCC2)c1)C1CCC1	692791247	CDXSUNGDKQKIQU-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](C)c1cccc(C)c1	695058688	FNFAPHHCEHLSSR-DOTOQJQBSA-N	247.426	4.513	0	10	BJAE	
C1CCC(CCNC[C@@H]2CCCC3(CC3)C2)CC1	695695650	VKFZYWFNHNWMFH-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)c1cc(C)cs1	696549422	HRHINOAIHNQIMW-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1cc(C)ccc1C	696570401	CPSOWTYOLJVGPA-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
CC[C@@H]1CC[C@@H](CN)[C@H](CCC(C)(C)CC)C1	696806983	RBEJICJYHMNGEK-KFWWJZLASA-N	239.447	4.604	0	10	BJAE	
CC(C)CCCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C	699088124	TTWJRWATAZFDNT-XJKSGUPXSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@H]1CCCC[C@@H]1C	704798205	UHNNZJSZWUPUQT-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](C)(N)c1ccc(C)c2ccccc12	704866384	LMMRKGXVBNFVDY-KRWDZBQOSA-N	241.378	4.512	0	10	BJAE	
CCC[C@](N)(CC)c1ccc2ccccc2c1C	704875363	NDABYKYNKCYEBY-QGZVFWFLSA-N	241.378	4.512	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H](C)CC(C)(C)C	708297888	NXFQZWAKUPVHKZ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C[C@](N)(CCC1CCCCC1)[C@]12CCCC[C@H]1C2	709271333	DAYBQAPOXSSQFR-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@H](C)CC(C)C	709278835	ZXANEPNLWAMWAV-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](O)C[C@H](C)C(C)(C)C	710743382	WFBCOYFPFGVAOB-KCQAQPDRSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCCC1CCC1)C12CCC(CC1)C2	711205460	JGWLLSIQRDCILH-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)CCC(C)(C)CC	711281199	YLKPPKWEIKMWFV-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
O[C@H](CC1=CCCCC1)c1ccc(C2CC2)s1	716555198	KPTSWOMKPKHHGZ-CYBMUJFWSA-N	248.391	4.549	0	10	BJAE	
CC(C)=C(C)CCN[C@@H](C)[C@H]1CC2CCC1CC2	718534654	UREYSBXPPRCCSH-ZGRYLRDCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)CCC(C)=C(C)C	718653304	QBNKSQQYSMWGPZ-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CC(F)(F)CCCC(=O)[C@H]1CCCCC1(C)C	718658201	BQJGBGVAGYVZBO-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
C[C@H](C[C@H](N)CCCC(C)(F)F)CC(C)(C)C	718720570	AJZGMNTUPZJUSH-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1c(C)oc(C)c1C	718724559	VTHBFXBUJYKWNE-UHFFFAOYSA-N	234.339	4.524	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)C(C)(CC)CC	721737827	VBPLHBGQBBLQLB-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCCC2(CC2)C1	723569995	CXKZLSPZSKAKSY-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@H](SCc1ccccc1)c1cccs1	737404902	CSNPAJIBXNXXGB-NSHDSACASA-N	234.389	4.743	0	10	BJAE	
CCCCN(CCCC)C[C@@H](C)CC(C)(C)C	1652607167	SVYZWPRXXXQSDG-HNNXBMFYSA-N	241.463	4.961	0	10	BJAE	
C1CCC(CCCSCC2CCCC2)C1	1653129567	UNDNBLATIKWXKC-UHFFFAOYSA-N	226.429	4.880	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CCC)C(C)(C)CC	1910737607	WZJRMHQGVSSWEP-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C=CC=CCCNc1cc(Cl)cc(Cl)c1	1911783157	YIPHKFGOBVCNGN-UHFFFAOYSA-N	242.149	4.538	0	10	BJAE	
CCC=C[C@@H](C)Cc1cc(C)c(C)cc1F	1911791458	NVOFWIKSMOPYDM-LLVKDONJSA-N	220.331	4.587	0	10	BJAE	
O[C@H](C1=CCCCCCC1)C1CC2(CCCC2)C1	1912717675	SPWSPBDQFRKBSY-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H]1CCCCCCCC[C@H]1NCC	1913426255	MMDBVGYAUKXWLA-JKSUJKDBSA-N	239.447	4.905	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@@H]1CCC[C@@H](CC)C1	1920196200	HDMDPBVLAGYRIO-ZJIFWQFVSA-N	239.447	4.747	0	10	BJAE	
CC[C@@](C)(CC[C@@H]1CC1(C)C)CNC(C)(C)C	1921423124	BGUWOWUATHKMGI-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@H](C)C1CCCC1	1924126432	QQECJSOOQCOJCT-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H](C)C1CCCC1	1924139159	ODBILTWPQXEVPF-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@@H]1C=CCCCC1	1925888826	HZMBPPNKAXJYSF-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
FC(F)=Cc1ccc(OCc2ccccc2)cc1	1927579323	QNWIOUYWQLSSJK-UHFFFAOYSA-N	246.256	4.503	0	10	BJAE	
CCC[C@H](C(=O)c1sccc1Cl)C(C)C	1927985979	JAFVLWMTGTVYNJ-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CCC[C@@H](C(=O)c1csc(Cl)c1)C(C)C	1933563949	ZYUIIKOQKNZVMU-SNVBAGLBSA-N	244.787	4.657	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CCC(C)=C(C)C	1936194610	CSUDOIOKILPCLE-LSDHHAIUSA-N	226.404	4.556	0	10	BJAE	
CCCC[C@H](CC[C@@H](C)CCC)NCCC	1939109194	AVSYMOQAVCXGLE-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC[C@H](C)CC(C)C)NCC	1939123545	XMCQTDDLABUUDR-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(O)C(C(C)C)C(C)C	1940243067	JOTFANRKURJGAP-MRXNPFEDSA-N	240.431	4.802	0	10	BJAE	
CCC[C@H](C)CNCC(C)(C)C1CCCCC1	1940761677	BOFWSUINFQJCJK-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC(CC(C)C)NCCCC1(C)CC1	1940848395	VUKLAYVRDYIAAR-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CCCC2(C)CC2)C1	1940884177	XSTWFTNXUMANDP-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1C[C@@](N)(CCCCCC2CC2)CC[C@H]1C	1941590452	BNLRLSZUDOXXNC-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)CC1(CNC(C)C)CC(C)(C)C1	1941986591	AQXUTCYFWDRSRL-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@H](CC(C)C)[C@H](C)CCC(C)C	1942656961	NDAOXAFHDFQNCD-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CC(C)C[C@@H](C)Nc1cccc(C2(C)CC2)c1	1944600127	MHWFAYPUKPXXSR-CYBMUJFWSA-N	231.383	4.585	0	10	BJAE	
CCC[C@H](C)[C@H](NC)C(C)(C)C1CCCCC1	1944661384	SEZBVRPVBDDPQN-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CCC[C@@H]1C(C)C	1947463698	FEXWKYCDMGRYLG-ARFHVFGLSA-N	239.447	4.616	0	10	BJAE	
Fc1cccc(F)c1CCC[C@@H]1C=CCCC1	1947559012	ODOCODPDFKSDRS-GFCCVEGCSA-N	236.305	4.644	0	10	BJAE	
C1=C[C@H](CNc2ccc3sccc3c2)CCC1	1947583735	BDDHRNDEOUXJQI-LBPRGKRZSA-N	243.375	4.670	0	10	BJAE	
CCc1ccccc1N[C@@H](C)[C@@H](C)CC(C)C	1948323416	NMNVGZQKKORMRT-KBPBESRZSA-N	233.399	4.732	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)NC[C@@H](C)CC(C)(C)C	1948333587	SVSARHODRGVYOS-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CCCC1CCC(O)([C@@H]2CCC(C)(C)C2)CC1	1949454733	ZGIVCPXPXFHQMU-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H](C)C1CCCCCC1	1950101190	VEDAFELXFIMWTF-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@]1(CNC(C)C)CC12CCCCC2	1950612290	LNZYFFVRQZFUHO-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1C(C)=CCC[C@@H]1C	1950981211	WYCKCDZMCHXAHO-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)NC[C@@H]1C(C)=CCC[C@H]1C	1950981827	YYIPUIOGISVOEA-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](NC1CC(CC)(CC)C1)C1CCC1	1963227369	MRTGXJQSRHSXHA-OAHLLOKOSA-N	237.431	4.514	0	10	BJAE	
Cc1ccccc1N(C)CC1C[C@H](C)C[C@@H](C)C1	1964110044	OASMRJIDUVPHHI-ZIAGYGMSSA-N	245.410	4.504	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CCC[C@H]3C[C@H]32)CC1	1967708427	PISLHDIWXPDHGT-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CC(N[C@H]2CCCC23CCCCC3)C1	1967858049	MXDXKPYRELESQN-PCKAHOCUSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1[C@@H](N[C@@H]2CCCC3(CCC3)C2)CCC[C@H]1C	1968346873	SNHFPAUNUPVVRC-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC2(CCC2)C1	1968860519	ZJSYJPFCJVJWRE-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCC1CCC(CN(CC)C(CC)CC)CC1	1969517688	JXXZLGAWEGDHPB-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
Cc1ccc(-c2cccc(C(C)(C)C)c2)c(O)c1	1969843073	RHMDSUHKXWECEI-UHFFFAOYSA-N	240.346	4.665	0	10	BJAE	
CCC1CCC(CN(CC)CC(C)(C)C)CC1	1970357938	QGOQYJRREAUAMI-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H](C)CCC(C)C	1978451693	NSEINXXDXVWSBA-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](C)C(=O)C1	1982776816	DYPHYKZZXDGDHU-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC[C@@](N)(CCCC1CCC1)CCC(C)C	1986936922	GWQMLCNTNZJZMU-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@](N)(CC)CC1(C(C)(C)C)CCC1	1989464995	QCVHJKPEUQFFDJ-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@](C)(O)CC1CCC(CC)CC1	1989773042	XEXVNVORMYHVQC-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CCCC(O)(CCC)CCC1=CCCCC1	1991143960	QXCSCMQTUJZQJZ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC1(Cc2csc(C3CCCCC3)n2)CC1	1995470482	YBDKNQKVRWPPID-UHFFFAOYSA-N	235.396	4.533	0	10	BJAE	
CC(C)(C)Cc1nc(C2CCCCC2)cs1	1995497929	HRYTXQVZAUTFKK-UHFFFAOYSA-N	237.412	4.779	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1(CC)CCCCC1	1995739070	UIDOOEIHZJPSTK-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CC1CCC([C@@](C)(O)C2CCCCCC2)CC1	1996546079	GLPJXRVXWGNNPU-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CC1CC=CC1	2000371164	GJJMRUZPJLBQHT-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@@H](CC(CC)CC)NCC)CCC1	2000377553	XSZKVVHOWRPCQC-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C(CC)CC)C1(C(C)C)CCC1	2000389818	HTHYDCIKDGKVQD-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCCN([C@H]1CCCC(C)(C)C1)[C@H](C)CC	2000907888	RTCPZHFPZFFFCN-CABCVRRESA-N	239.447	4.856	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@]1(C)CCCC1(F)F	2002579796	OIZYOEFRZNGFNQ-AAEUAGOBSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2CC=CCC2)C1	2002990354	ICCHHPXYBLKPGX-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CC[C@H](C)CC1)CC(C)(C)C	2003066866	JLRTZZIGERIAKQ-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CC1([C@@H](N)CC2=CCCC2)CCCCCCC1	2004921872	AWJQCJCAYRSRPE-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
Cc1cc(NC2CC(C3CC3)C2)c(C)cc1Cl	2007778857	QTARIMYZDBHVMV-UHFFFAOYSA-N	249.785	4.557	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1(C2CC2)CCCC1	2008476987	HGQCTCRUNOCFNR-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H](C)CCCC	2009598761	RKHRUMDTRGDRJL-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](CCC(C)(C)C)NC)CC1	2010711685	CIIRFDXJMCBYGK-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](O)C1=CC[C@H](C(C)C)CC1	2010716518	WOZYVMPZRZTFJO-HOCLYGCPSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(C(C)(F)F)cc1	2012748789	KHRQKZJVWDLHAW-LLVKDONJSA-N	241.325	4.789	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC12CCC(CC1)CC2	2012802195	UWNLOJOQYTUPIZ-VQCLRJIVSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](N)C1CCC2(CCCCCC2)CC1	2013211951	QXLVBFJTTVQLBA-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC1(C)CCCCC1	2013271827	WAVJBNFDCCVCHM-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCNC[C@](C)(CC)CCC(C(C)C)C(C)C	2015347484	QAJWFTNQWRAHFJ-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CC(C)C(CCC(=O)C1(C(C)C)CC1)C(C)C	2015393093	ZTFQOLBRGUMTES-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCCC[C@@H]2C)CCC1	2015643548	DCAIDJJVLCMANP-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC(C)=C(F)CNc1ccc(C2CCC2)cc1	2017461044	DKUWSLGZKHJKDA-UHFFFAOYSA-N	233.330	4.629	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@]1(C)CCCC(C)(C)C1	2017622626	KMUNRBKOQIKTIB-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)CNC[C@H]1CC[C@H](CCC)CC1	2017661537	CSMASPDDXZWJTD-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1CC[C@H](CC)CC1	2017722640	QMJUKZFUAMDJNQ-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C[C@H]2CC[C@H](C)CC2)C1	2017722709	RDRGVANJXIEQEF-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@H](N)C2CCCC2)CC1	2017726518	ZLLUOWLAKUOOPD-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CCC[C@H](N)C2CC2)CC1	2017736236	XNZAFJYVFFWIGG-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](Cn2cc(C)cc2C)CC1	2017773826	GKFKPOJUALEFPW-WKILWMFISA-N	233.399	4.711	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1CC[C@H](C)CC1	2017774438	OQSQQAPLFZAPIU-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CCC(CC)CC	2019188712	FXSZYZJEKUUGNG-MRXNPFEDSA-N	241.463	4.961	0	10	BJAE	
CC(C)CCCCCN(C)C[C@@H](C)C1CCC1	2019339847	GRLIBQYNBPTCOJ-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CCC[C@H](C)CC1	2019414164	KGQFGJVJSWQICL-HRCADAONSA-N	239.447	4.712	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC(C)(C)C1=O	2020394733	WJRWGEHLRDHILA-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CC(C)CN(C[C@@H](C)CC(C)(C)C)C1CCC1	2020641698	FLQXEYZIPGIQNP-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CC=C(CC)[C@]1(O)CCC[C@H](C(C)(C)C)CC1	2020973863	KBTKQDPEHCRCEU-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](O)CC[C@H]1C[C@H]1C1CCCCC1	2022527036	VYRXICYHICAZHM-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCC[C@H]1CC1(C)C	2023319957	RWBUYRBNJUIOQX-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CCCCC(C)(F)F	2023345782	KERBEERRJBGBQX-STQMWFEESA-N	249.389	4.602	0	10	BJAE	
CC1(C)CC(C[C@H]2CCCC2=O)CC(C)(C)C1	2024102152	QCUIMAUOYPJDRC-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC1(CCC[C@@H](O)c2ccccc2C2CC2)CC1	2027830484	CIHFEBGAHIBSGD-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
C[C@H](C[C@@H](C)c1cccc(N)c1)c1ccccc1	2027956274	JQNCOVAYRPYVMJ-ZIAGYGMSSA-N	239.362	4.566	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)[C@@H](CC)C(C)C	2028253207	VBGJXAUWRLQZGD-DLBZAZTESA-N	247.426	4.718	0	10	BJAE	
CC(C)C[C@H](c1nc2c([nH]1)[C@@H](C)CCC2)C(C)C	2028266440	VPORLBKZVRPHDC-STQMWFEESA-N	248.414	4.635	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2CCCCCC1CC1	2028632139	WAVQDWGXYPJKGJ-OAHLLOKOSA-N	243.394	4.946	0	10	BJAE	
C[C@H]1CNC2(CCCC2)[C@@H]1C1(C)CCCCCC1	2033534776	KKCONVONHNSVET-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(F)c1NC1CC(C2CCCC2)C1	2033769661	ZWXMLVZJTCLOHA-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
Fc1cccc(NC2CC(C3CCCCC3)C2)c1	2033830757	QSMDGZVMIPHZOR-UHFFFAOYSA-N	247.357	4.597	0	10	BJAE	
C1=C[C@@H](CNc2cccc(C3CCC3)c2)CCC1	2035596267	APTNARBKTDFDIW-CQSZACIVSA-N	241.378	4.722	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1CC12CCCC2	2036095231	PDWLMEKWJBMPFJ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CC23CCCC3)c1	2036096662	VFXGTRILRCGSOM-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)C1CC2(CC2)C1	2036187453	BQRBMCKFNURYQL-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC/C=C/CN[C@@H](c1ccccc1)C(C)(C)C	2036763252	NJUDCDXZAUDZCU-BPLPYTOXSA-N	245.410	4.720	0	10	BJAE	
CCC1CCC([C@H](N)[C@H]2CC(C)=C[C@H](C)C2)CC1	2037047450	CGEMRTWMMGHWTH-MLUKBADYSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)CCC1=CCCCC1	2037171280	FHUUPRONLCMPII-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)CC(C1CC1)C1CC1	2037189521	IJXBVVIXJISERU-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCC1(N)CC2(CCC(C)CC2)C1	2038894131	XXEPRGALCIXZPD-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CCC[C@@H](C)CC2)ccc1F	2039379261	ZTEVBGADNQWFML-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
Cc1ccccc1C(=O)[C@@H]1CCCC(C)(C)CC1	2039386564	RJUFSYVJXHSLEH-CQSZACIVSA-N	244.378	4.784	0	10	BJAE	
CC1(C)CC2(CC(C(=O)C[C@H]3CC=CCC3)C2)C1	2039424732	UKWMDIJHOFHXEI-ZDUSSCGKSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CC[C@H](CC2(N)C[C@@H]3CCCCC[C@H]3C2)C1	2040169904	RZRYYSHLPADYJR-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1N[C@H](C)CC1=CCCCC1	2043194849	PKOWDQWZVBXYRM-DLTWYDFYSA-N	249.442	4.680	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@]12CCCC[C@H]1C2	2045314208	HVVVILRNJMRKAW-VYDXJSESSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@@H]1C(C)=CCC[C@H]1C	2045805737	MKQUNANTVMQMAJ-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@]1(CNC2CC2)CCC12CCC2	2047930697	BELXCALKEKZGCQ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)CC2[C@@H]3CCCCC[C@@H]23)CCCCC1	2048454217	RUZMYKAXAHMHCH-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@@H]1CCCC(C)(C)C1	2049499880	YFPJNKZPBMYGIO-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CNC[C@H]2C=CCCCC2)C1	2049512551	UIKIAGZEJNZLEO-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)CC2CC3(CC3)C2)C1	2049535653	GUGJDOGQPGXUJZ-GDBMZVCRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)CC2CC3(CC3)C2)C1	2049535656	GUGJDOGQPGXUJZ-ZBFHGGJFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCCCCC[C@H]1C[C@H]1C=CCC1	2049706087	YACHQNLJAWTMMR-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@]2(C)C=CCCC2)c1	2050010138	QQVQAYOEZRHDKB-DLBZAZTESA-N	243.394	4.556	0	10	BJAE	
C1CCCCC(N[C@@H]2CCC[C@H]3CC[C@H]32)CCC1	2052281901	UYZIIXHSNPCDAS-USXIJHARSA-N	249.442	4.658	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2056537809	ZAEKDSXMGBILMO-PRMLZIFMSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1CC1)C1=CC[C@@H](C(C)(C)C)CC1	2061096991	YXNFSTXTYCGFPQ-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC1CC(=C2CCC2)C1	2061255445	BBCRWYYCTBHUSC-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
C=C=CCCN(C)C1CCC2(CCCCC2)CC1	2061558223	SKDKAFQQCRMCKN-UHFFFAOYSA-N	247.426	4.543	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CC1CC(=C2CCC2)C1	2061701886	NWZCNLDFKDHYOV-DLBZAZTESA-N	247.426	4.565	0	10	BJAE	
CCCC1(CNCC23CCC(CC2)CC3)CCC1	2065261511	YBMAQHZZZJQBDZ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC1CCC(C(=O)CC2C[C@H]3CC[C@@H]3C2)CC1	2068701984	GUUBQSSTQSVAGG-AHNOJICISA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@@](C)(N)C[C@H]2CC23CCC3)CC1	2069176189	DXEITZMYNNOMJS-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C(=O)C2(CC3CCC3)CC2)C[C@@H](C)C1	2069581989	WVTVNMPHUKQCKL-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@H]1CC12CCCCC2	2070303040	FIRGJWLAJIVRMX-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2CC3CCC2CC3)CCC1	2071920000	QKAPDEVZSIDRTO-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(C(=O)CC2C[C@@H]3CC[C@H]3C2)CCC1	2071927195	XWIYIAZGCIRZFU-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1CC[C@H]2C[C@@H]2CC1	2072424609	LAXYVHKDSHGXML-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](NC[C@H]1CC[C@H](C)CC1)c1ccccc1	2072668307	ZQKWEMPVFPEJDS-ZOBUZTSGSA-N	245.410	4.554	0	10	BJAE	
CC(C)(C)CC1CC(N)(C[C@@]23CCCC[C@@H]2C3)C1	2074026333	TUXJHHUKJOXDLW-HTUOJYHCSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](CC2CC3(CCC3)C2)NC)CC1	2074645667	DJPIMPZAKZVABH-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N1CC(C)(C)Cc2ccccc21	2075202115	ADPYIBDGDSYIOK-ZIAGYGMSSA-N	245.410	4.510	0	10	BJAE	
O=C(CCC[C@@H]1C[C@H]1C1CC1)CC1CCCCC1	2075818049	QKDOHWLANNQPJR-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1c(C)coc1CC	2077186559	CSAPJWZVURAPQY-MRXNPFEDSA-N	249.398	4.547	0	10	BJAE	
CCCCc1ccc([C@@H]2CCCC(=O)[C@@H]2C)cc1	2077925897	ZLWRZDYHKWMLTP-CZUORRHYSA-N	244.378	4.502	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1C[C@H]1C1CCCCC1	2079530034	NFYAUNDRZVJUNU-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C)c1NC[C@H]1C[C@@H]1C1CCCC1	2079623461	GWIGZWKXHZQELI-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
CC[C@]1(C[C@H]2C[C@@H]2C2CCCCCC2)CCCN1	2079624292	BKYCDLOKYONOCY-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1COc1ccc(C(C)(C)C)cc1	2079812866	JJZLNKRAPLPDEQ-CZUORRHYSA-N	246.394	4.655	0	10	BJAE	
CN[C@H](C=C1CCC1)C1CC(C)(C)CC(C)(C)C1	2080256924	PDXORAWKOXIFQI-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)C)c1cccc(C(C)C)c1	2081794368	BADKQFKLDZFTKU-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CCCCCN(Cc1cccc(C)c1C)C(C)C	2082948329	GIGVYGAAWQKJLM-UHFFFAOYSA-N	247.426	4.704	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)c1cccc(C(C)(C)C)c1	2083554823	JZZKOTKWHGGCAJ-OAHLLOKOSA-N	247.426	4.666	0	10	BJAE	
CC[C@H]1C[C@@H]2CC[C@H](C1)N2CCC1=CCCCC1	2084519159	GMWQJOUABLIDMW-XGBSXSJOSA-N	247.426	4.530	0	10	BJAE	
CCC[C@@](C)(CN[C@H](C)CC)C[Si](C)(C)C	2212586116	HNGHZCDSEWAVCA-KGLIPLIRSA-N	243.511	4.519	0	10	BJAE	
CC1(NCCCCCCC2CC2)CCCCC1	2213582304	GOKDEUSMJQJMTK-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC[C@@H]1C[C@@H]1CC	2215245509	HZRSRJVGUTVUHP-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@H](O)CC1(C)CC2(CCC2)C1	2215467449	RTIOMOSIIDWOHN-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)CC)CC=C(C)CC1	2215840613	RHCHOAQFIRFCOA-GDBMZVCRSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)[C@@H](N)CCCCCCCC1CC1	2216862136	XVJLXZMVVMGETG-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@](C)(CNC1CCC1)C[C@H](C)C(C)C	2217128200	YYGUSZAXHQYVGZ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NCC1(C[C@@H](C)C(C)C)CCCC1	2217150901	PRGWWWXGAYMEAD-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218308603	GCNHGNNRAWQJRD-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
Cc1cn(CC2C[C@H]3CCC[C@H](C2)C3)c(C)c1C	2218327469	JXEHBGWBIZCWFD-HOTGVXAUSA-N	245.410	4.630	0	10	BJAE	
CCN[C@H](CC=Cc1ccccc1)CCC(C)C	2219072130	SAYDLGJAZUPJJR-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
CC1=CC[C@@H](CN(C)CCC2=CCCCC2)CC1	2221619896	VFWCPCDUMKYOTO-QGZVFWFLSA-N	247.426	4.555	0	10	BJAE	
CCN[C@@H](c1c(C)cccc1C)[C@H](CC)C(C)C	2222014033	NPVCXEPLFSXWBA-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CC(C)=CC[C@H](N)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222948833	KSBASLASJVGUQM-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CC[C@H](O)[C@@H](C)CC[C@H](C)CCCC(C)C	2244846204	ZPQUMNPAUDCLLM-ILXRZTDVSA-N	228.420	4.636	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2(CN)CCCCC2)C1	2246662185	FPORLSAIIPSMAM-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCCC[C@@H]1C[C@H]1C	2247166993	RGKAUZRFICPNDF-BMFZPTHFSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN(C)CCC(C)(C)C	2248840077	LIZGNHDTVOLMDH-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CC[C@](O)(CCCCC[C@H]1C[C@H]1C)CC1CC1	2248864550	CYONNVGIDLUOLP-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](O)CC1CC2(CC(C)C2)C1	2250449155	PFAHSCQZWFWZMN-UFFJXHMVSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@@H](CC)CC[C@@H](C)CCCC(C)C	2250490423	IYWBJILMSOOFSO-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2251225678	WSWWDARUHIXUDX-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251710776	DCSNEZALNMIICR-QWHCGFSZSA-N	238.415	4.700	0	10	BJAE	
NC1(CC[C@H]2CCCCC23CC3)CCC=CCC1	2253811197	RLORDAIZYBXJQX-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCCC12CC2)C(C)=C(C)C	2253815363	IRZIVRPTPJLRRF-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C=C1CN[C@H]2CCCC[C@H]2C1)CC(C)(C)C	2253816396	WSOQUCSPSNGMFB-KBMXLJTQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN(C)[C@H](C)c1ccccc1	2254584826	MANTWYMZCUOWLC-INMHGKMJSA-N	245.410	4.506	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H](N)[C@]12CCCC[C@@H]1CCC2	2255007638	BZYYWIBRWHASIX-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(CC2=CCCCC2)CCCC[C@H]1C	2255102498	RZHKGWJHZUWKGT-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)C[C@@H]1CCCC12CC2	2255223053	FTBYCQDOWKEBDF-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1([C@@H](N)CC[C@@H]2CCCC23CC3)CCC1	2255280918	DGKVBOHBUMFHPG-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC1CCC2(CC1)CC2	2257316538	RQQXTHBXMVKDSR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)cc1NCCCCC[C@@H]1C[C@@H]1C	2257343046	VHISORGMQKNFTH-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)c1ccc(C(C)C)cc1	2259441281	JUYLURMLLKBJOA-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
Cc1cccc(NC[C@]23CCCC[C@H]2CC3)c1F	2260580849	CGNNNVMYQNGYSG-XJKSGUPXSA-N	247.357	4.516	0	10	BJAE	
CNC[C@@H](C)[C@H](C)CC=C(C)CCCC(C)C	2300883237	BSEZEEGQNUCQBZ-HZPDHXFCSA-N	239.447	4.641	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@H](N)CC1CCCCCC1	2301144760	HJFXMJQFYVJSCO-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(C)(C)CCNC(C)(C)C	2301831615	FJYDPLCQOHMMLM-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(O)C[C@@H](C)C1CCCCC1	2301916379	BUFURYRWYSYXNM-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H]([C@H](CC)C(C)C)[C@H](C)[C@H](C)C(C)C	2301961624	MCAAZVWFEHRGNV-KLHDSHLOSA-N	241.463	4.575	0	10	BJAE	
CCC[C@H](CCC[C@H]1CCC(C)(C)C1)NCC	2302751036	OEUZJPJLVCHDHR-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCc1cscc1N[C@H](C)c1cc(C)oc1C	2302885567	BLDFOOPXGKSPKL-SNVBAGLBSA-N	249.379	4.693	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@@]2(C(C)C)C[C@@H]12	2302886200	FXYNWVNTMUWJFI-GUTXKFCHSA-N	249.423	4.547	0	10	BJAE	
CCC(C)(CC)C(=O)CC[C@@H]1CC[C@@H]1C1CC1	2303147417	OAULIMYQXQMDGJ-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CC[C@@H]1CCC(C)(C)C1	2304417483	DDMJBBMFGIONIS-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1CC[C@@H]1CCC(C)(C)C1	2304425824	PEDWNQAVTVNACC-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(O)CCC12CCCCC2	2307831634	MHKZOFBXHORGLN-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(O)CCC2(CCCC2)C1	2307839089	VRJPDSZKBPBRHN-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CC[C@@]23CCC[C@@H]2C3)C1	2310379837	IOVICUVPMUWQLQ-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312903597	RSIWQFHZFMJBOF-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N[C@H](C)CCCC(C)C)c(C)cc1O	2313564458	SXTJCLXOSCQXDT-CQSZACIVSA-N	249.398	4.636	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2313643752	ZVKMXJIKMIJZHP-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC1)Oc1ccccc1C(C)(C)C	2313664065	FJTPINVRPNUZNG-CYBMUJFWSA-N	246.394	4.942	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H](C)[C@@H]1CC1(C)C	2315887509	NELBLEZDABAICM-ZFWWWQNUSA-N	245.410	4.965	0	10	BJAE	
CCC[C@]1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCCN1	2316875603	XCXLQISXMVVHTH-MWDXBVQZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1CCCCCC1)c1ccco1	2317020131	DDDWFFKLVVALQZ-HNNXBMFYSA-N	249.398	4.681	0	10	BJAE	
CCCCC[C@@H](C)NC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317040681	RGVSDXAGQSKNKH-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C(=O)[C@H](C)[C@@H](C)C(C)C)c1ccccc1	2317911208	JUNQZRDEVHVYJP-LZWOXQAQSA-N	246.394	4.678	0	10	BJAE	
CCC[C@](N)(c1ccccc1)[C@H](C)[C@@H](C)C(C)C	2317911512	KNBFPIRNIXPZKS-ZMSDIMECSA-N	247.426	4.569	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)C(C)=C(C)C	2317965634	ZQNIXWYEUIATOX-QGZVFWFLSA-N	249.442	4.992	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1cccc(C2(C)CC2)c1	2317988230	FSMCKFQNJUGUCN-UONOGXRCSA-N	245.410	4.831	0	10	BJAE	
C[C@@H]1[C@@H](C(=O)[C@H]2CCCCC23CCC3)CC1(C)C	2318241144	ODFLUUXUJMWFND-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](NCCCC2=CCCCC2)[C@H](C)C1	2318529528	RCFBSUVJTQSJBJ-INMHGKMJSA-N	249.442	4.681	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@H]1C[C@@H]1C1CCC1	2318565186	IJNHJZGEEYUQQY-CVEARBPZSA-N	246.394	4.662	0	10	BJAE	
CN(CCCC1=CCCCC1)c1ccc(F)cc1	2318596416	ZKAUOJNBLZJZAE-UHFFFAOYSA-N	247.357	4.543	0	10	BJAE	
C[C@@]1(C=CCCCCCCC2CC2)CCCCN1	2318819524	JJXOCZQNYZMMTK-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C[C@]12CCCC[C@@H]1CC2	2318937854	DNMCQVKHQSFIRY-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1CCCC[C@@H]2C[C@@H]21	2319341039	NSULCIWJDSXURH-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@H]2CC[C@@H]2C2CC2)C1=O	2319732815	DQZASUTVRSGACR-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@](CN)(C[C@H]2CCC(C)(C)C2)CC1	2320260178	BLXCXBHUHVKYFX-DOTOQJQBSA-N	249.442	4.668	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)CC1(C)CC1	2320393552	GSXKCEMRGFLNKQ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(C(=O)CCC2CC(F)C2)c1	2320567469	KCIHCCZWYRSNFO-UHFFFAOYSA-N	248.341	4.521	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)Cc1cccc(C(C)C)c1	2320654461	XVBKTZQLSBXATF-PBHICJAKSA-N	248.410	4.540	0	10	BJAE	
CCC1(C[C@H](N)c2cccc(C3CCC3)c2)CC1	2320658357	JCLBYBYYDCJZBN-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC(C)[C@@H]1CC(=CCCCCCCC2CC2)CN1	2321251849	ABGCSJZFGAFTST-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@]23C=C[C@@H](CC2)C3)C1	2321628387	RCJGFTYGSLESGN-ZQIUZPCESA-N	246.394	4.518	0	10	BJAE	
CC(C)c1cccc(NCC[C@H]2CC2(C)C)c1F	2327766778	IXAYQDHXZMLWBY-LBPRGKRZSA-N	249.373	4.797	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)c1F)[C@H]1C[C@H]1C	2327807833	MIXSCCIFNPGKLK-XBFCOCLRSA-N	249.373	4.796	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc(C2CC2)cc1	2328183495	MLIIDEGPNPKZFS-GUYCJALGSA-N	245.410	4.780	0	10	BJAE	
CC(=C/c1ccccc1)/C=C/c1ccccc1	3075461	MCXUZXVIQZNGSA-NQDQBVNISA-N	220.315	4.803	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1ccc(C)cc1C	20482622	XCUILSIESFCGEL-ZBFHGGJFSA-N	233.399	4.520	0	10	BJAE	
C1CCCC(NC2CCCCCCC2)CCC1	20557054	KRQOPPSKURVOPY-UHFFFAOYSA-N	237.431	4.802	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H](C)CCC(C)C	21809547	XOCPHBCXONRZQY-HUUCEWRRSA-N	227.436	4.616	0	10	BJAE	
O=C1CCCCC12CCC1(CCCCC1)CC2	32256698	SBWYEZVNSQSLAR-UHFFFAOYSA-N	234.383	4.640	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCCC[C@H]1C	36974290	INLHMFJFKVJDDB-HIFRSBDPSA-N	231.383	4.630	0	10	BJAE	
CC(C)C[C@@H](C)N[C@@H](c1ccccc1)C(C)(C)C	36994697	NYZDGDHIMCUIFK-ZBFHGGJFSA-N	247.426	4.798	0	10	BJAE	
CCCC[C@@H](NCC)c1ccc(C(C)C)cc1	37506484	LRYUBDKFMUTOMS-MRXNPFEDSA-N	233.399	4.651	0	10	BJAE	
Cc1ccc(-c2cnc(-c3ccc(C)cc3)o2)cc1	39643058	DLTUYNGYYGWGQO-UHFFFAOYSA-N	249.313	4.625	0	10	BJAE	
CC[C@H](C)n1c([C@H](C)CC)nc2ccccc21	40390000	BXKATVFCASZEGQ-NEPJUHHUSA-N	230.355	4.521	0	10	BJAE	
CCCCCC(=O)c1ccc(Cl)cc1Cl	40930039	MYTHXXFQVFMTJY-UHFFFAOYSA-N	245.149	4.756	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCC(C)(C)C1	70683057	OIVCAOAXJNTUGL-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
c1cc([C@H]2CCCCCN2)ccc1C1CCCC1	75869010	UKVLZMIPKYDKPY-QGZVFWFLSA-N	243.394	4.549	0	10	BJAE	
C[C@@H](CCCCCNC(C)(C)C)c1ccccc1	78782947	JSUVAEVLTFMLDX-HNNXBMFYSA-N	247.426	4.739	0	10	BJAE	
CC(C)(C)CCOc1ccc(C(C)(C)C)cc1	85151242	YULLQAMUZDQKKI-UHFFFAOYSA-N	234.383	4.799	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(C)cc2F)CC1	86896507	HWYCKEZWCDTSQP-UONOGXRCSA-N	249.373	4.905	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCC(C)(C)C1	87769851	FWZRHHWDHKOXRG-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)[C@H](CNC)c1ccc(C(C)C)cc1	94675673	BKXATBRNUVIFCW-KRWDZBQOSA-N	247.426	4.549	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1CCCC1)C1CCCCC1	103982426	VMAFOOAKVMBDEP-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cccc(F)c1C	109939533	WMWLZKOGYAYIBS-WCQYABFASA-N	237.362	4.761	0	10	BJAE	
CCC[C@H](CCc1ccc(C(C)C)cc1)NCC	112633897	QIHHNNCDTYBZMO-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCCC)NCCC	124646013	GKDLTSIWEMAZBT-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCCCCC[C@H](N)[C@@H](CC)CCCC	124753915	QRDHTCLROBECOC-KBPBESRZSA-N	213.409	4.501	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@@H](C)CC(C)(C)C	133456555	GQVCKDIENPIQKG-KGLIPLIRSA-N	227.436	4.602	0	10	BJAE	
CCC(CC)CC1(CNC(C)(C)C)CCCC1	149098416	ZFSIUEJYELFMCG-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)(C)C)c1cccc(C)c1C	163530098	ZNADMQXDEPAWHZ-CJNGLKHVSA-N	247.426	4.636	0	10	BJAE	
CCCCCC(=O)Cc1ccc(C(C)(C)C)cc1	164905850	XKOUDCQVOJZHHB-UHFFFAOYSA-N	246.394	4.676	0	10	BJAE	
CCC(CC)[C@@H](O)c1ccc(C(C)(C)C)s1	165596760	YIFOEEYZZVAXKV-CYBMUJFWSA-N	240.412	4.515	0	10	BJAE	
CC(C)CCC[C@H](N)c1cccc2ccccc12	165840519	MJMWQQRQUUOXCC-KRWDZBQOSA-N	241.378	4.666	0	10	BJAE	
C1CCCC(N[C@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	216296791	PNIXPXAXYPJZSI-ZOBUZTSGSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@H]2CCC[C@@H](C)C2)cc1	217944530	HKFQOKNQCMBIIS-COXVUDFISA-N	245.410	4.636	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)c1cc(C)cc(C)c1	229489474	AGUMADMIWDKQIK-SUMWQHHRSA-N	247.426	4.780	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](CC)C[C@H](C)CC	251965425	WBULGGVGHFQDNF-LJISPDSOSA-N	227.436	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CC(C)(C)C[C@@H]1C	300141242	RIHPUPXFKCOPCO-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)CCCC(C)(C)C	300780468	BDVPSOHOOBXTJG-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](C[C@H](O)CCCC(C)(C)C)C(C)(C)C	300797877	DIOUPBMUSUYTCZ-QWHCGFSZSA-N	228.420	4.636	0	10	BJAE	
CCC[C@@](O)(C[C@@H](C)CC(C)C)c1ccccc1	302299054	HCONGVNKUGUSDW-DOTOQJQBSA-N	248.410	4.747	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CC2CCC(C)(C)CC2)C1	310438388	RUBMUKWTIJFNKL-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCC[C@H]1CCC[C@H](C)C1)C(C)(C)C	310467863	AJZLYCNKKONUFC-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(COc2ccccc2C(C)(C)C)CCC1	310535754	RDRRERFHGKBTOF-UHFFFAOYSA-N	232.367	4.553	0	10	BJAE	
CCC[C@H](Nc1cccc(C)c1)C1CCCC1	313434437	SLKUZAZFILAVJA-INIZCTEOSA-N	231.383	4.766	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1cccc2ccccc12	319362620	OTBDYVCGOMBOBX-GDZNZVCISA-N	242.362	4.555	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Oc1cccc2ccccc12	319705500	YIZFOSATLZAYKV-CHWSQXEVSA-N	228.335	4.653	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NCC2=CCCCC2)CC1	379584126	UBODYCHDHDKVNX-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NCC2=CCCCC2)CC1	379584128	UBODYCHDHDKVNX-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@H](/C=C(\CN)C1CCCCC1)C1CCCCC1	381039605	VPUXSZZPTUJNBI-RFRKOGIWSA-N	249.442	4.668	0	10	BJAE	
CCCC1(NC2C[C@@H](C)C[C@H](C)C2)CCCC1	382311511	SEPJTAWUGACHKW-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C1(C)CCCC1	382692610	ORHHREKLLHROGD-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)CC2=CCCCC2)C1	383463576	JVELEDQYXNUOHP-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
Cc1ccc(-c2ccc3ccccc3c2C)c(N)c1	384331631	AGKLSJQXHOZBAD-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H]1CCCC[C@@H]1C	384392396	ATODFBKYKFDNRN-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)n1ccc2cc(OC(C)C)ccc21	385130148	SLEKIZBRNHYYJD-CYBMUJFWSA-N	245.366	4.790	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)CCC1=CCCCC1	385863507	HUMYMQWYQKANEV-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H](Nc1cccc2ccsc12)C1CC1	386201918	FFTMEJOUKHRQQE-ZDUSSCGKSA-N	245.391	4.892	0	10	BJAE	
Cc1oc(C)c([C@H](O)CCC2=CCCCC2)c1C	386224390	FYXARTOFCVUJMI-OAHLLOKOSA-N	248.366	4.519	0	10	BJAE	
CCC(C)(C)CNc1cc(Cl)cc(Cl)c1	394568499	PXRFBQXHHXIRHW-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
CCc1cc2cc(F)c(C(F)F)cc2s1	396209075	HPJKGBFUIXTABB-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CSc1cc2ccc(C)c(C(F)F)c2s1	396413393	XTZWNPZJWWTILM-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@@H](C[C@H]2CC=CCC2)C1	402379592	XMVQZUXPZXATEO-YYIAUSFCSA-N	249.442	4.524	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@@H]2CC=CCC2)cc1	402411896	SMPILHASTOQHDT-RHSMWYFYSA-N	244.378	4.590	0	10	BJAE	
Cc1cc(O)c(C)c(-c2ccc(C(F)F)cc2)c1	686550876	GWNLOHPITBMHPD-UHFFFAOYSA-N	248.272	4.614	0	10	BJAE	
CCCC1([C@@H](O)c2cc(C)c(C)cc2C)CCC1	686928872	KQXCQUCYEJXKAK-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
Cc1cc(N[C@@H](C)C(C)(C)C)c(Cl)cc1F	687710782	CBTGGOBDNMKHBH-VIFPVBQESA-N	243.753	4.634	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](CC)[C@@H]2C[C@H]2C)c1	689507323	UHHYAQWKNPUBCR-DAXOMENPSA-N	245.410	4.658	0	10	BJAE	
C[C@H]1CC[C@@H]1Nc1cccc(-c2ccccc2)c1	689639983	OOODFTNVFRGQAX-GUYCJALGSA-N	237.346	4.564	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1CCCC[C@H]1C	689757470	VORRRKWUHWYBLU-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CN[C@H]1CCCCC[C@@H]1C(C)C	691165970	LFYLRIQPXLXWQC-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(OCC2CC=CC2)cc1	692133893	AHWNCQSWSSWZMY-ZDUSSCGKSA-N	230.351	4.545	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1CCCC12CCC2	694710185	QLJMRUIZNJRINS-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H](C)CC1CCCC1	695063328	UQSDTOHUIYJIMQ-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1CC(C)(C)C1	701458770	NASVHQUBGAACKW-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](N)(C[C@@H](C)CC(C)C)C1CCCC1	704960510	YWLIWNSXSZZXPW-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@H](C)CC(C)(C)C	708282377	NTBNUVFAFIKQNP-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H](C)CC(C)(C)C	708318413	GRKBKOLDFXEGLX-QLFBSQMISA-N	241.463	4.993	0	10	BJAE	
C[C@@H](C[C@H](N)C(C)(C)C(C)(C)C)CC(C)(C)C	709126579	JPOLGGPIVKJQAM-STQMWFEESA-N	241.463	4.848	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCC12CC2)CC(C)(C)C	709126591	JRCJQKGBWCERTA-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC1=C[C@@H](N)CC(C)(C)C1)CC(C)(C)C	709184888	HORXLJDSBLNWFQ-GXTWGEPZSA-N	237.431	4.523	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)CCC12CCCC2	709232235	LXFKLERCNINBJZ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H](C)CC(C)C	709271429	IOFUWORZMABGRC-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCNc1cc(C(C)C)nc2cc(C)sc12	710818328	HAMKCQKNNXSHSZ-UHFFFAOYSA-N	248.395	4.550	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1C[C@H]2CC[C@H](C2)C1	710870862	LDOJGNMSBRWTGA-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H](CNC(C)(C)C)C[C@H](C)C(C)(C)C	711176737	SVMAAIVCNCWOTD-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@@H]2CCCC[C@@H]21)C1CCCC1	712375798	KGYFQGKGZKVPDO-LUKYLMHMSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC(C)(C)C(C)C)C(C)(CC)CC	713207161	AKZRRWFLCUMREC-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C/CCc1cccc([C@@H](C)CC)c1O	713681247	YQXAGJYVMVXSIC-YBJDMEARSA-N	230.351	4.581	0	10	BJAE	
CCCCCc1ccc(NC[C@@]2(C)C[C@@H]2C)cc1	714659152	LHCWUWRNPIGACQ-WMLDXEAASA-N	245.410	4.877	0	10	BJAE	
CC(C)=C(C)CCc1ccc(Cl)c(C)c1O	718588487	OCUFPJGSFVMAIS-UHFFFAOYSA-N	238.758	4.643	0	10	BJAE	
CC(C)[C@]1(CNC(C)(C)C)CCC=CCCC1	719059664	YMASRZQDTJFTLS-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCC12CCCC2	719294827	BBYDTRNFSBQROP-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](NCCCCC1CC1)C1CCCCC1	720172516	WFPMBVAOAINJAA-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC[C@@H](C)C(C)C	720941209	VHOILUFQWQJMAJ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)CCC(C)(C)C1CC1	721748892	OKLNVYDYJAKQGK-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)[C@@H](C)CCC	723569505	XVJFYPACCNEPEY-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CN[C@H](C)C1CCCCC1	1182469251	AMANWRBLDJJHCE-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCNCC1(C)CCC(C)(C)CC1	1560506718	OCZZTLRTGLMGPO-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCC[C@@H](CC)CC1	1651486605	HOHXEBWWIXDXHD-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC=C(C)CC	1900878155	MNRWYVYKWMJMTP-GJZGRUSLSA-N	226.404	4.700	0	10	BJAE	
CCc1cscc1NC1CCC(C)(C)CC1	1902376533	JMLPMFDYYROISN-UHFFFAOYSA-N	237.412	4.691	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(CCC)CNCC	1905432260	BFHYJGKYXRSRQA-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H](CCC)C(C)C	1905453103	HBVZXFKLZOHALK-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1C)CCC(C)(C)CC	1910137019	DJMDAVJIFVMPPW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CCC(C(C)C)C(C)C	1910660729	YYOCRIQUPFTQPU-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
CCCNCC(C)(C)CCC=Cc1ccccc1	1911819434	VVVSNVNDEUFLJC-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
NCC1(CC2CCCCC2)CC2(CCCCC2)C1	1912550410	DOZAYJFZBDYHFT-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
CCCC=CCNC1CCC(C(C)(C)C)CC1	1914680275	QOAXIWPJBFECSJ-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC(C)NC[C@]1(CCC(C)(C)C)C=CCCC1	1916582153	ZGQLOACQQSTTMR-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@H]2CCCC23CCC3)C1	1921605024	QTXIOBIVZKXQHZ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)C[C@@H]1C=CCCCC1	1925894138	YLQPFHLKQRKCGB-RBSFLKMASA-N	238.415	4.556	0	10	BJAE	
N[C@@H](C[C@H]1C=CCCCC1)C1CCCCCCC1	1925944955	HWQATOFYMLAACP-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CCc1ccsc1C(=O)[C@H](CC)CC(C)C	1938201809	KYRSAQLZGHDMOH-GFCCVEGCSA-N	238.396	4.566	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)[C@@H](C)C(C)(C)C)c1	1939709650	ABHFLJMMPCDHJW-SNVBAGLBSA-N	238.758	4.513	0	10	BJAE	
CC1CCC([C@H](N)CC2(C)CCCCC2)CC1	1940405702	DFUBIABTOOOKCK-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CCCC2(C)CC2)C1	1940871183	AIBMDBWOQMHKQS-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1cccc(C(C)C)c1	1941247503	FCNIAARXDUUDCI-CVEARBPZSA-N	234.383	4.526	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CCCC(C)(C)C)NC	1941262558	GTPQGTLMLFNXDH-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)C1(C)CC(C)(C)C1	1941984709	YIBJYWAJRRUZIU-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](C)C(=O)c1ccccc1	1942663621	UDNLFGXYUFDZQG-ZIAGYGMSSA-N	232.367	4.578	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)C(C)(C)C1CCCC1	1944646773	OKCDCMUSTZZPAD-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C(C)(C)C(C)C	1944672009	LTDKJLUWVNNJRF-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCNCCC1(C)CCCCC1	1945422931	CURLPPDORFHPHI-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@H](CC)NCCC1(C)CCCCC1	1945432566	PKWYEYFUKQGZQK-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCCCCCC1CC1	1947462313	LVHQDVMLRUYDRZ-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cc(C)ccc1C	1947468035	XVRHJSWAGHLNIV-GJZGRUSLSA-N	231.383	4.684	0	10	BJAE	
CC1(C)CC[C@H]1C1(O)CCCCCCCCC1	1947879557	CMNOUGUUPOWJBI-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)CC(C)C	1948837687	JNCFQCQZYDRMDS-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C[C@H]1C=CCCCC1	1949140545	VNCNYVOZAAFCAM-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCC[C@H](O)[C@@H]1CCC2(CCCC2)C1	1949453796	SFSHVNYDXZCIQL-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CC1(O)CC2(CCC(C)CC2)C1	1950545698	QSAMCZXBHJJGAF-PYEOEOCKSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@]1(CNC(C)C)CCC[C@@H](C)CC1	1950922563	BIABAUVTKUOBRM-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)[C@@H]1CCC[C@@H](C)CC1	1950928657	ADVNRHJROJFOGH-QXSJWSMHSA-N	239.447	4.602	0	10	BJAE	
CCCCC1CCC(C2(CCN)CCC2)CC1	1952209215	RSXIXCOBXBTITO-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
Cc1cccc(CNC2(C)CCCCCC2)c1C	1963007454	WPPUBCPVJNIFRN-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C)C2CCCCC2)C1	1963181114	AFCOKJTURNNGGI-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1C(C)=CCC[C@H]1C	1963238537	UBCIFRKVVJOSEO-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@H]1CC(C)C	1968528370	QFUYNDQSNFNHBF-DOTOQJQBSA-N	245.410	4.876	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1CC[C@H](F)C1	1968602446	KXWWBOHHTDEEDP-ZFWWWQNUSA-N	249.373	4.669	0	10	BJAE	
Cc1c(F)cccc1NC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1968647462	DZRJTPIKRWMOMH-IMRBUKKESA-N	249.373	4.618	0	10	BJAE	
C[C@@H](CC1CCCC1)NC1CC2(C1)CC(C)(C)C2	1973746592	ASIGUYMHCLFXHC-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCC[C@H](CCCCCC)NCC	1984629236	FVBDYPINFGUVGE-NFBGWVBBSA-N	225.420	4.681	0	10	BJAE	
CCCCCCC(=O)CC(C(C)C)C(C)C	1988294326	BDOZQEORAYFSOM-UHFFFAOYSA-N	226.404	4.844	0	10	BJAE	
CCC[C@@H](C(=O)c1cc(C)c(C)s1)C(C)C	1989977464	VCZFNTHINMUIDL-GFCCVEGCSA-N	238.396	4.620	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)CCCC(C)(C)C	1990839008	NSWYMWIFHNETSX-CYBMUJFWSA-N	227.436	4.569	0	10	BJAE	
C[C@H](C[C@](C)(N)CCC1CC1)C1CCCCC1	1996363503	ARKFJHZDJSYLMP-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
Cc1ccccc1N[C@@H](C)C1CCC(C)CC1	1996549963	WYYYPPBOGFGHQO-BLZCZZARSA-N	231.383	4.622	0	10	BJAE	
CCCC[C@@H](CC)CN[C@]1(C)CCCC1(C)C	1997340619	HWILFRAVJJPYBY-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C1CC(N)(CCCCCC2CC2)C1	1998233812	AAHHCKKKVZWHAD-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
Cc1sccc1C(=O)C[C@@H]1CCC=CCCC1	1999981851	SRURCHSKBCRYCF-CYBMUJFWSA-N	248.391	4.766	0	10	BJAE	
CCC(CC)(CC)[C@H](CC1CCCCC1)NC	2000334070	QXMTWZIPDRDWOU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H]1CC12CCCCC2	2001258439	FNEMGGVQWGXEPN-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(N)[C@H]1CCC[C@H](C)C1	2003014108	KSJXPEXOHDKVIS-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@](C)(F)C(C)(C)F	2003225147	SODDSHZPPWTUIT-BXUZGUMPSA-N	248.357	4.638	0	10	BJAE	
CC[C@]1(C)CCCN(CC(C)(C)C(C)C)CC1	2004339543	QDHTUCUJEMRZLN-MRXNPFEDSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H](NCC1(C)CCCCCCC1)C(C)C	2004937201	LSHWQHWNOOQRFZ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@]1(CNC(C)C)CCCC12CC2	2005568375	YNEJJNOJTQOYKA-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](CC2CCC=CCC2)C1	2006667022	OKYAAWZRMXFNQV-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@H]1CCC[C@@H]1C(C)C	2007621756	GKLOKCFPBBEZGP-ZNMIVQPWSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)CC[C@@H]1CCC(C)C	2009408324	SPPGASBFVYBAAF-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H]1CCC[C@H](CC)C1	2009593480	BHNQITJVWRTNNW-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](CC)CC[C@@H]1NCC	2009628625	NYOOLCHGGNVIOB-GUJPZIPKSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CCC[C@H]1CC1(C)C	2013307828	ZUFPCYLOHGINMG-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
C[C@H](N[C@H](C)CCC(C)(C)C)C1(C)CCCC1	2014336247	CHBYTBGJGUNASI-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CC(C)C(CC[C@@]1(O)CCC[C@H](C)C1)C(C)C	2015335660	MQOXCBPVVXZEEM-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cccc(F)c1C	2016146135	SVPLWIAQFMYVOO-LBPRGKRZSA-N	235.346	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(O)CCC=C(C)C	2016150877	YXBFPWSQZURTPN-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
CC(C)C1(CC2(CN)CCCCCC2)CCC1	2017145025	GMOKTCUNGCQZTL-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(CC2(C(C)(C)C)CCC2)C1	2017149348	ZCJCIPYKALVXEY-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(F)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O	2017463568	LAWKOWSFEMOXON-NWDGAFQWSA-N	240.362	4.671	0	10	BJAE	
CC(C)=C(C)CN[C@H](C)[C@H]1CCCC(C)(C)C1	2017465545	WKMBOZZTCFNFJW-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](N[C@]2(C)CCCC(C)(C)C2)C1	2017622381	IHOALZAISPZOGL-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC(CCCNC(C)(C)C)CC1	2017728204	IUCCEALKCGMPMQ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)NCCC(C(C)C)C(C)C	2018083403	NZVJNBCJLILUAX-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CCC)CC[C@]12CCCC[C@H]1C2	2018577754	KSSKMRZRPXPHDM-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CC2(CC)CC2)CC1	2018966612	CMXUGXYMYMHLAX-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
C1=C[C@H](Oc2cccc3sccc23)CCCC1	2019540081	APSDQKHTYZKSRO-LBPRGKRZSA-N	244.359	4.779	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@@H]1CCCC(C)(C)C	2023606050	FZXYJEMPTQGHDD-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C(C)(C)CCF)C1	2024091406	IFUCIXNANNPMPH-LBPRGKRZSA-N	242.378	4.548	0	10	BJAE	
CC[C@](C)(CO)CC1CC(C)(C)CC(C)(C)C1	2024122541	ILZVCWCVNMTIOG-INIZCTEOSA-N	240.431	4.638	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@H](C)C(C)C)NC	2026164771	WCGJWLIZYFIMQZ-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCc1ccc2c(c1)N[C@@](CC)(C[C@@H](C)CC)O2	2027996573	CXJNOZVUWTVMST-BLLLJJGKSA-N	247.382	4.596	0	10	BJAE	
CN[C@H](c1ccccc1C1CC1)[C@H](C)CC(C)C	2028602505	JMUHGLLVPVDGJZ-DYVFJYSZSA-N	245.410	4.507	0	10	BJAE	
C[C@H](C(=O)CCCCCC1CC1)c1ccccc1	2028629774	CMEUEOBAZAAGIV-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
CCNC[C@]1(CC2CCC=CCC2)CC[C@@H](C)C1	2028874253	NUOAKJIGOGEIMQ-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CC2CCC=CCC2)C1	2028896649	FIQLDJMSZQLQHM-DJIMGWMZSA-N	249.442	4.667	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@]12CCCC[C@H]1CCC2	2031755944	AEHFVCBOKBCRNQ-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@]1(CNC1CC1)CC1CCCC1	2032106567	OKHHYSNUVYPQTI-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)C2C[C@H]3CC[C@H](C2)C3)CCCCC1	2033101621	UATWRHCCGNLJPB-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]3C2)cc1	2034572865	XIYJTPVDAAELIX-VIKVFOODSA-N	243.394	4.585	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCC[C@@H]2C(C)C)c(C)c1	2035400959	SAMCUDHLIAFSQR-CVEARBPZSA-N	245.410	4.848	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)C1CC(C)(CC)C1	2036487687	VTRYVXZRQXQKIJ-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc(CC3CCCCC3)[nH]c21	2038008536	ZWVVHYFDWNBVJB-TXEJJXNPSA-N	246.398	4.533	0	10	BJAE	
CNC[C@@]1(CCC2CCCC2)CC12CCCCC2	2039004375	ZRCFPPFSSTUGIF-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1cc(F)ccc1C	2039446815	IVSWAXTWKBWOTO-DOMZBBRYSA-N	247.357	4.538	0	10	BJAE	
CC1CCC([C@@H](C)N[C@@H](C)c2ccccc2)CC1	2040632369	DMJNUTSSDXJRQT-KRIMKBQASA-N	245.410	4.552	0	10	BJAE	
CC[C@](N)(C[C@@H]1C=CCCCC1)C1CCCCC1	2040655015	YZFRSADZNBYZQG-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H]1CC[C@@H](C)C[C@H]1C	2043194847	PKOWDQWZVBXYRM-AIANPOQGSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)C[C@H]1CCC=CCCC1	2045330863	ZPARWEJVEAGWPB-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
CCCCC1CCC(C(=O)[C@H]2C[C@@H]3C[C@@H]3C2)CC1	2045456378	CJNHVEJWQRBALC-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCCC(=O)c1ccccc1C1(C)CC1	2045569617	QLWXHPIJDOCDGO-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCC(CC)(CNC1CC1)[C@@H]1C=CCCCCC1	2045985843	BFJUCHAVIWVYSE-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)C[C@H]2CC23CCCCC3)C1	2047006364	AIMXDKBEHCELDR-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C[C@H]1CC12CCCC2)C1(C)CCCCC1	2047020146	NRIFTHQLZZTWMD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(OC[C@@H]2CC23CCCCC3)cc1	2047054816	HDIGUCWIFOIILH-HNNXBMFYSA-N	244.378	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)C[C@@H]1CC12CCCCC2	2047059196	OFDXAZSUYLFPFB-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@H]2CC23CCCC3)C1	2047063337	VQMQABJDOLRLKF-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCC1)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047413672	SHLJOILEJVZJDG-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047437749	NZQPLFJBTDBMJN-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@@H]2C=CCCCC2)C1	2049492187	GUKRYYXCNMFBQP-WBVHZDCISA-N	249.442	4.668	0	10	BJAE	
C[C@H](Nc1cccc(F)c1)[C@H]1CCCC(C)(C)C1	2049530553	XLDUFTCMWBOQSX-STQMWFEESA-N	249.373	4.843	0	10	BJAE	
C1CCCCC(NC2CC[C@H]3C[C@@H]3CC2)CCC1	2049675610	NFPLXPIHZIOLEI-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NCC1CCC2(CC1)CC2	2049848950	MVYUCRLWRXCHAN-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC3(CC3)C2)C1	2049961370	DPKPSGVGFKQKLD-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC(CC)CC)c1cccc(C)c1	2050456147	NNKYIJRMHNBZAI-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
c1cc(N[C@@H]2CCC[C@@H]3CC[C@H]32)cc(C2CC2)c1	2052286300	ILOJOSBIQBTPJD-KBRIMQKVSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CCC(C)(C)C1N[C@H]1CCCCC12CC2	2053345688	KLZGWUFEYBXSGN-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@]1(C2CC=CC2)CCCC(C)(C)C1	2053692170	RTTXWBWAIBGUAC-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
F[C@@H]1CCCC[C@H]1C[C@H]1CCNc2ccccc21	2055176404	YWJBGEVLSGHDHR-VNHYZAJKSA-N	247.357	4.504	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)C2(C)CCC3(CC3)CC2)C1	2056535511	DWSJDRPZFPDCPF-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](C[C@@H]1CC=CCC1)C1(C)CCC(C)CC1	2056555924	BTZPULGMIHXEMN-GMRIPVOYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CC2CC(C3CCC3)C2)C1	2056670107	SYXROAYBMBHBKV-KNLHSXBVSA-N	248.410	4.598	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C[C@H](C)C2CC2)cc1	2057356939	HRPZXFFIFTWVQL-ZDUSSCGKSA-N	244.378	4.504	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)C1(C2CC2)CCCC1	2057609312	OQYDNWGMRYBKQH-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2059203464	KRRGCYDWQQOCPT-UZZNXUKWSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CC1)C1=CC[C@@H](C)CC1	2060921531	MCRGHPJRVOPLHD-CKEIUWERSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC[C@]12CCC[C@@H]1C2)CC1CCCCCC1	2061626106	IBRMUPHZKKASLQ-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CC1CC(=C2CC2)C1)NC	2061730698	LCVYWLGMPJAGDM-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCCCCC23CC3)c1	2062015957	CHFJZKJOYLOPFE-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1C[C@@H]2CCC[C@@H]2C1	2063531639	NJKVFSZLGUYMKO-PHZGNYQRSA-N	244.378	4.509	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]21)C1(C)CCCC1	2067515983	BIDRLZLTBGRXTQ-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)[C@H]1CCC1(C)C	2068246175	SONCGQQGCLWUAQ-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCCC1)CC1C[C@@H]2CC[C@H]2C1	2068712950	JDDDSCQSJLMQEE-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CCCNCC1(C[C@H]2CC23CCC3)CCCCC1	2069166580	ABGVZBZILWMTJE-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCCC1(CC[C@H](O)c2ccccc2C)CCC1	2069329976	BNXLMYJHXNOHDD-INIZCTEOSA-N	246.394	4.779	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C1(CC2CC2)CCC1	2069523631	NDPPWBMVWVQRHF-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)Cc1cccc(C(=O)CC[C@H]2C[C@H]2C)c1	2072097160	YEVDVMIIDOLZOA-HIFRSBDPSA-N	244.378	4.504	0	10	BJAE	
C1CCC2(CC1)CC[C@H]2N1CCC12CCCCC2	2075007759	CCCVANOPDCAVPB-OAHLLOKOSA-N	247.426	4.508	0	10	BJAE	
CC(C)CC1(CN[C@H]2C=CCCCC2)CCCC1	2075362828	MZUFPOMBSVNMJP-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(CNc2ccccc2C2CCC2)CCCC1	2077262398	SUMVALCHMYSPGV-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
C[C@@H](CNc1ccccc1C1CCC1)C1CCC1	2077264627	XBLRLVPIOXLARM-ZDUSSCGKSA-N	243.394	4.802	0	10	BJAE	
CCCCc1ccc([C@](C)(O)CCC(C)C)cc1	2077920574	MIZAMWNWNSRIHS-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
O=C(CC1CC=CC1)[C@@H]1C[C@@H]1C1CCCCCC1	2079482563	DQMXDCXUPWYOGT-HZPDHXFCSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1C[C@H]1C1CCCCCC1	2079514854	KQBXUHNJCDCSIU-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2C[C@@H]2C2CCCCCC2)C1	2079527319	HPMLJZZZBQXQAU-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C1CC2(CCCCC2)C1	2079841467	IZRBRSFMDOLYPW-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
O=C(C[C@H]1C[C@H]1C1CCCC1)C1CCCCCC1	2079867827	VVQZRUNXBNTYRK-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C=C1CCC1)CC1CCCCCC1	2080255419	JVHIIZHDCZPNRS-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCc1ccccc1[C@@H](C)N[C@H](C)CC(C)(C)C	2081218980	PGSKLAZGPUCYDG-ZIAGYGMSSA-N	247.426	4.724	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1C[C@@H](C)CC[C@@H]1C	2081945836	ACYNEOYNKSLZGN-MQIPJXDCSA-N	249.373	4.625	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)CCCCCCC1CC1	2210525623	SMCGQTITVZSTSL-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@@](N)(CC)c1cc(C)sc1C	2211641737	MHDVKEHIBSUDEO-AWEZNQCLSA-N	239.428	4.509	0	10	BJAE	
CC(C)C(=O)CCCCCCCCC1CC1	2212443796	WQVFBQGZYSNRAF-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2CCCC(C)(C)C2=O)C1	2215432720	MSJYCSMQFVPHRO-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@]1(CNCC(C)C)CC=C(C)CC1	2215835771	SYVFQMHUDYMKRS-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](CCCCC(F)F)C[C@H](C)CC	2216449586	OFRIOIDGQCWTED-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCC[C@](C)(CNC1CCC1)[C@@H](C)[C@@H](C)CC	2217155605	DGNYDYDKABAFKC-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H](C)c1ccco1	2217243167	VUYQEVVTKIMTJQ-JTQLQIEISA-N	249.741	4.669	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](N[C@@H]2CCCCC23CC3)C1	2218037107	NLNUXKYEYFRALT-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218339925	OIRMNDKEAPFOKE-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC1([C@H](N)CCCCC2CC2)CCC2(CC2)CC1	2220047514	XAMHPOSESYTMGX-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)C23CCCC2CCC3)C1	2221017336	UKPMOOBCUZGCJJ-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)[C@H]2CCCC(C)(C)C2)CC1	2221628070	WNAAYLWFVFQKOZ-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1C)[C@@]1(C)CC=C(C)CC1	2221633038	SLMIQYZETFQMPK-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCCN(C)[C@@H]1CCC[C@H](C(C)(C)C)C1	2222269809	SOGHKHHEAAYZAT-JKSUJKDBSA-N	249.442	4.655	0	10	BJAE	
C(=Cc1ccccc1)Cc1ccc2occc2c1	2224148681	JFRARTOGJZKSMC-UHFFFAOYSA-N	234.298	4.689	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)[C@H](C)c1ccccc1	2224172226	VHZBYFWASWDNLT-INMHGKMJSA-N	247.426	4.595	0	10	BJAE	
Nc1ccc(C=Cc2ccc(C3CCC3)cc2)cc1	2231686673	HVDXKBMNZPYKAP-UHFFFAOYSA-N	249.357	4.707	0	10	BJAE	
CC=CCCCc1nc(C)cc2sccc12	2244253629	RTMFJYLMBVPIEK-UHFFFAOYSA-N	231.364	4.504	0	10	BJAE	
CCC[C@@H](CC)CNc1cccc(Cl)c1C	2244799649	CEJVRDMEHHLQOF-GFCCVEGCSA-N	239.790	4.887	0	10	BJAE	
CC[C@@](C)(CN)CC[C@@H](C)CCCC(C)C	2244835825	GRCXQTCLSDAQMY-LSDHHAIUSA-N	227.436	4.604	0	10	BJAE	
CCCC(=CC[C@H](C)CCCC(C)C)CN	2244845493	PUTZCQMFAQGVPP-CQSZACIVSA-N	225.420	4.524	0	10	BJAE	
C/C=C/CCCc1cccc(CC2CC2)c1	2245277155	QVNRRZCAJCTCDD-NSCUHMNNSA-N	214.352	4.538	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@H]1CCCCC12CC2	2246627369	QKOBYIPEQDVIBN-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CC[C@@H]1CCC[C@@H](C)C1	2246664594	PREBKPOFBSMTNJ-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CCCC1(NCC[C@@H]2CCC[C@H](C)C2)CCC1	2246695888	VRJUXVBEGHZNAL-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](CCCC[C@H]1C[C@H]1C)NC	2247130473	VMTBNFCXJNRWTH-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@@H]1C)CC(C)(C)C	2247165474	MJJTZGNZPZVHRK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC1(C)C)CC(C)(C)C	2247309174	UNLQLHIZKVJPQU-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](N)CCCCC[C@H]1C[C@@H]1C	2248809371	VBAJMSFTFDHMCC-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CNC(C)(C)C1	2250479691	XRYBXAHZDBZQEY-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CN)CCC[C@@H](C)CCCC(C)C	2250531364	XHKGMJDCGCNPRP-JKSUJKDBSA-N	241.463	4.994	0	10	BJAE	
CCC1CC([C@@H](N)CC[C@@H]2CCCCC23CC3)C1	2253785229	SLISVAOEDUBMGO-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CC[C@H]1CCCCC12CC2	2253849798	DEFFVAAFOAWCKD-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@@H]1CCC[C@H]1C)CC2	2253869670	JNOUYBPMLHIQIY-KCXAZCMYSA-N	243.394	4.548	0	10	BJAE	
C[C@H](C(=O)CC[C@H]1CCCCC12CC2)C1CCC1	2253872937	JWNYRXBNYNNTGW-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc2c1N[C@H](CCC[C@@H]1C[C@@H]1C)CC2	2253873857	LUHRJSQXUHRQCW-NUEKZKHPSA-N	243.394	4.548	0	10	BJAE	
CC1(C)CC[C@@]1(C)NCC[C@@H]1CCCCC12CC2	2253885802	FSRVYURHAJMKGU-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
Cc1coc(C)c1[C@H](N)CC[C@@H]1CCC[C@@H](C)C1	2253922134	WYDZKBZJEOPNQK-BYCMXARLSA-N	249.398	4.503	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)c1cccc(F)c1	2254516562	LIVCLWSRJQSSEC-STQMWFEESA-N	248.341	4.615	0	10	BJAE	
CC1(C)CCC[C@@H](NCC[C@H]2CCCC23CC3)C1	2255220895	BLYYUVDWQKBJCD-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](C[C@@H]1CCCC12CC2)C1=CCCCCCC1	2255230813	ZOQLHOSCHZLNMN-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1CC[C@H]1CCCC12CC2	2255266959	NTMDYTVMQDLIHD-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(OCCCCC[C@H]2C[C@H]2C)cc1C	2257244490	BPFOTSUBFUSUMO-CVEARBPZSA-N	246.394	4.899	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H]3CCCC[C@H]32)cc(C)c1C	2258233446	NSHQWXOQGPRQRS-USXIJHARSA-N	243.394	4.602	0	10	BJAE	
Cc1cccc(OCC2CC(CC(C)(C)C)C2)c1	2261247582	SGNFZEFLLVHXDS-UHFFFAOYSA-N	246.394	4.836	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCC[C@@H]2C[C@H]2C)CC1	2298169271	AJWOATZWBSJTRU-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298448650	BREYHCVAJJBAGH-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@](C)(O)C1=CCCCCCC1	2300476851	VPLNNNQCRAQNJI-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)CCN(C)[C@@H](C)C1CCCCC1	2300676803	SHMINJHKOCBBJC-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CC[C@H](CN[C@H](C)CC)C(C)C	2300699854	IRBAKGKCACHJLI-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1CCCCCC1	2300874351	JNCVXCPMYSHHRS-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(=CC[C@](C)(N)C(C)(F)F)CCCC(C)C	2300900180	VONSNZZUXQSYGW-ZDUSSCGKSA-N	247.373	4.522	0	10	BJAE	
CCC1([C@H](O)CC=C(C)CCCC(C)C)CC1	2300930377	YYVPUGJVGQPYQV-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](O)CC[C@@H]1C[C@H]2CCC[C@H]1CC2	2301133651	OEHDGGHQZWBZMZ-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](N)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301137287	HKRFJSGQMAKVQE-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)CC1CCCCCC1	2301209910	GFBMIKPZZCXNTM-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
C1=C(c2ccnc3ccccc23)CCCCC1	2301460408	UZZGUZWXPAWKNM-UHFFFAOYSA-N	223.319	4.582	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@H](C)[C@H](C)C(C)C)CC1	2301834986	BXNHHOUULSDSRK-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C[C@H](O)[C@@H](C)[C@H](C)C(C)C)C(C)(C)C	2301951933	FKCFPRMDWKKEQJ-BARDWOONSA-N	242.447	4.738	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N[C@@]1(C)CCCCC1(C)C	2301962664	VLSXFWXUOBQOGH-DZKIICNBSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCCCCCN[C@H]1CC(C)(C)[C@H]1C	2302083564	PZMSKHMYLOPNIY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C(C)(C)C[C@@]1(O)CCCCCCC1CC1	2302116686	VWOQKABKPPECEW-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C1(CC[C@@H]2CCCC[C@@H]2N)CCC1	2302660051	FDWWIVZBBNXGLD-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@@H]1C(C)(C)C	2303402590	TUWIODVSKXSZBV-SOUVJXGZSA-N	237.431	4.536	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CO)CCCC12CCC2	2307873665	FVULWAMYALATJM-GDBMZVCRSA-N	238.415	4.536	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](C(C)C)CC[C@H]1N	2307900153	UHFANABIHGTWEF-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CCC[C@@H](CC)CCC)C1CC1	2307906376	DXDLTLDKNBPXAP-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC1CCC1)NC1(C2CCCCC2)CCC1	2308265044	CEKUAOLNBOCYNG-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
O=C(C[C@H]1C=CCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309181362	YNLYNFKGBXJHNP-YHUYYLMFSA-N	246.394	4.518	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2C[C@H]2C2CCCCC2)C=CCC1	2311610128	FIYJJRPECPJPFD-YQQAZPJKSA-N	246.394	4.518	0	10	BJAE	
CCc1cc(C(=O)CC2CC(CC)C2)ccc1C	2314703281	VHWOVSZXRMHTEC-UHFFFAOYSA-N	244.378	4.566	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@]1(C)CC=C(C)CC1	2316536613	MSDOYFADYHWRBQ-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1C[C@H]2C=C[C@H]1CCC2	2317121503	LXKLWLZLZPFGDE-NCOADZHNSA-N	249.442	4.536	0	10	BJAE	
CCN[C@H](C=C1CCCC1)CCC1=CCCCC1	2317905246	WIDFYCFKQJWKIQ-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)[C@@H]1[C@@H](C)[C@H]1C	2318587573	URAXSUYQNQAMDX-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)CCCC1=CCCCC1	2318592368	IHQGFUDQAUFSIS-NVXWUHKLSA-N	249.442	4.812	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C[C@H]1CCC(C)(C)C1	2319080947	QMEVKVJWCJNBTD-HUUCEWRRSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CC[C@@H](Cn2ccc3c(F)cccc32)C1	2319140039	CCKOCWPTZNIBFU-GFCCVEGCSA-N	245.341	4.607	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1cc(F)ccc1C1CC1	2319173785	MWZHRSMJGLNKRT-MEDUHNTESA-N	249.373	4.529	0	10	BJAE	
CC1(C[C@@H]2C[C@H]3CCCC[C@H]3CN2)CCCCC1	2319820562	RQBZPMYMLNTFBC-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1	2320397123	HBOIGFNVJUBUNO-UGUYLWEFSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H]2CCCC2(C)C)CC1	2320421617	CFKCIGDEYOFYDU-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CCCN(Cc1cccc(C2CCC2)c1)C(C)C	2320621787	YLAFDQOORZBDFD-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CC(C)CC12CC([C@@](C)(N)CC3CCCC3)(C1)C2	2321595208	LMEJUCCINDTNNM-GTPINHCMSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1	20008810	ZOWUNQPLHQWAKV-YALNPMBYSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H](Nc1cccc(F)c1)c1ccc(C)cc1	21502360	DDTZZDWTWVERNX-MRXNPFEDSA-N	243.325	4.697	0	10	BJAE	
CCC[C@H](C)Nc1ccccc1-c1ccccc1	21514965	VFHMXHOOILLFSM-AWEZNQCLSA-N	239.362	4.954	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(CC)cc1	21810192	TUVJKBBOMJNVAG-CYBMUJFWSA-N	219.372	4.630	0	10	BJAE	
CCCC[C@H](NC)c1ccc([C@H](C)CC)cc1	35469006	BNBIPRJIDPWRLY-CJNGLKHVSA-N	233.399	4.651	0	10	BJAE	
Cc1cccc(N[C@@H](c2ccccc2)C(C)C)c1	37185444	HMWARBGBCSFOAK-QGZVFWFLSA-N	239.362	4.804	0	10	BJAE	
CCCCCC[C@H](C)NCCC1CCCC1	71104219	KJAZPDVXKOOKRI-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cccc(SC)c2)C1	71104523	OAPUTBGWHCTOSQ-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
Cc1ccc2c(C(C)C)cc(Cl)nc2c1C	77255209	DYHYMNHOOBHZEC-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC(C)(C)C2)c(F)c1	83783407	UCMSBOLYKVMLKF-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](CC)COc1ccccc1CC	85151110	ILBYDZQOZAZWAC-AWEZNQCLSA-N	234.383	4.844	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CO)c1ccccc1C	93107268	BDCHKQQWWJOUAA-JKSUJKDBSA-N	248.410	4.677	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCCCC1(C)C	94277923	CMXBZYRKNIJRDM-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cccc(F)c1F	109921776	QCCUHVFQMIVAJK-GHMZBOCLSA-N	241.325	4.592	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@H](CC)CC[C@@H]1O	109995437	LXMHGAIXMGVXMP-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C(CCC)CCC)[C@@H](C)CC	132849567	YFBRZESQYRKTJX-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)Nc1cccc(C(F)F)c1	134499341	BLABNACEIDLBQY-NSHDSACASA-N	227.298	4.615	0	10	BJAE	
CC(C)Cc1cccc(C(=O)CC(C)(C)C)c1	157878521	BDZKNAFSOZCQPH-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](CC2=CCCCC2)NC)C1	161290615	UWFXSNQVOLJVIQ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)CC(=O)c1csc2ccccc12	164260698	OBQZKYSOZPXRNM-SNVBAGLBSA-N	232.348	4.520	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC[C@@H](C)[C@@H](C)C1	220614467	UUFDGCAXYCIDKR-YCPHGPKFSA-N	245.410	4.876	0	10	BJAE	
CCCCC[C@@H](C)[C@H]1CNc2ccc(F)cc21	232958366	KVXVNXUTJACDER-BXUZGUMPSA-N	235.346	4.551	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@H](C1CCCCCC1)CN2	235983465	MRPVLQGMDOLDLG-INIZCTEOSA-N	243.394	4.783	0	10	BJAE	
CCC(CC)C[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O	250786453	WZKPHRVBKMXYAD-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@H](C)c1ccccc1	251307598	ILUAMCVWURNBTM-HLLBOEOZSA-N	248.410	4.758	0	10	BJAE	
CC[C@H](C)c1ccc(CC(C)(C)C#N)cc1Cl	260705147	SATKFTKUSODDCR-NSHDSACASA-N	249.785	4.946	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@@H](C)[C@H]2C1	263637877	QAQCPAHQVOKALN-VYDRJRHOSA-N	208.389	4.741	0	10	BJAE	
Cc1cc(Cl)ccc1NCCC1CCCC1	300924913	HLGBWUOSTXKQQW-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CN[C@H](c1cc(C)c(C)o1)C1CCCCCCC1	302319347	GUBCZXQONFZZQS-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
Cc1ccc(C)c([C@](C)(N)C[C@H](C)CC(C)C)c1	302372348	OQWAEKSLSWHYOY-RHSMWYFYSA-N	247.426	4.550	0	10	BJAE	
CCCc1ccc(NC[C@@H](C)CC(C)C)cc1	305935797	KQZAVGJEZBIQPY-AWEZNQCLSA-N	233.399	4.733	0	10	BJAE	
CC(C)CCCCCN[C@]1(C)CCCC[C@H]1C	308689962	FGPFRKJKKIYZIX-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@@H](NCC(C)(C)C2=CCCC2)C[C@H]1C	308751739	ANRAYXCSAMYRNB-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
Clc1ccccc1-c1ccc2occc2c1	309201722	YGSFLIAQSDIFKW-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
C[C@H]1C[C@H](CC2(C)CCC2)c2ccccc2N1	310125077	IXMMOPIPQCBEPJ-QWHCGFSZSA-N	229.367	4.555	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)C1(CC)CC1	310346438	FKVUIDZMCURQAS-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@H](CCC)C[C@H]1CCC[C@@H](C)C1	310384937	HNDNCYFYQATOTN-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)Cc1ccccc1	310476797	CJXAVSDMNXDRQA-NVXWUHKLSA-N	247.426	4.553	0	10	BJAE	
CCCCCC[C@]1(CNC(C)C)CCC[C@H]1C	317906796	KBVAMVNVPZGYCK-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)c1ccccc1C(C)(C)C	319858458	QTZCFMSKZQXQRB-ZENOOKHLSA-N	247.426	4.666	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC1CCC(C)CC1	383896919	MYPZPFBFRBQLJD-QDIHITRGSA-N	240.431	4.780	0	10	BJAE	
CC/C=C/CN[C@H](C)c1ccc(C(C)(C)C)cc1	385019163	OHELQJVTTVYSEF-HSBSLETESA-N	245.410	4.601	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@@H](C)c1ccccc1)NCC	385153187	NHWVXIRUFFJGIZ-UXLLHSPISA-N	247.426	4.595	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H]1CCC[C@H](C)C1	385266885	ZJOYUYOPSKFMDV-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](c2nc3c([nH]2)[C@@H](C)CCC3)CC1	392946967	KGMVJIVUCOXAFF-AVGNSLFASA-N	246.398	4.533	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1C[C@H](C)Nc2ccccc21	393845537	DJCUYQVDBQCBPW-YDHLFZDLSA-N	231.383	4.657	0	10	BJAE	
CC/C(=C\[C@H](C)C1CCCCC1)CNC(C)C	393847332	RIRGFFKUNSJENR-AYYGCFCKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CCCCCC(C)C	394876469	XDUKRXVIGAUFFU-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CCC(CC)(CC)CNc1c(F)cccc1F	395216363	KLZGIRNDKPQUEN-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
CCOc1c(Cl)sc2c(CC)cccc12	396189311	LNGBKEYGOSOIIQ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
COc1cc2cc(C(F)F)sc2cc1Cl	396290968	NBLHNFXNYYSLPU-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CSc1cc2scc(C)c2cc1C(F)F	396412648	WCNCWGIVVHOYPM-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@H](C)C(C)(C)C	399215215	RRIICJUOBZXLQI-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1/C=C(/CN)C1CCCCC1	401757322	QLJWPYAGHQIAJG-LDHAAXQRSA-N	249.442	4.668	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C1(C)CCCC1	402185957	XUCTYNDPFFFHRA-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC)CCc1cccc(C(C)C)c1	688929664	YLXLYXQQHDRMCQ-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
CC(C)=CCCC1(O)CC(C)(C)CC(C)(C)C1	697599175	PTSYMHSUJWEXTM-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cccc(C(C)(C)C)c1	701111870	MRXUFVLONOZALY-OAHLLOKOSA-N	248.410	4.844	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCC23CCCC3)CC1	703214571	IQTGYZQBAGASHV-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@](C)(N)CCC(C)(C)C	704821472	BULCQPKREJSNEP-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)CCC(C)C	704833756	UAXDCQJCBVDATP-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CCCCC1CCC(C(=O)c2coc(C)c2)CC1	706352709	DTZGUNJYJVSUJB-UHFFFAOYSA-N	248.366	4.767	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](O)C[C@H](C)CC(C)(C)C	709070454	DFKVPQFVNUKKBB-KBPBESRZSA-N	242.447	4.738	0	10	BJAE	
C[C@H](C[C@H](O)[C@@H](C)c1ccccc1)CC(C)(C)C	709071398	PLFLORUSLSXSGO-YCPHGPKFSA-N	248.410	4.613	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@]12CCCC[C@@H]1C2	710482502	FLEBPOGTQNUZPH-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNc2csc(C)c2)C1	710729539	SDABPEDSIRQYRI-CHWSQXEVSA-N	237.412	4.685	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1cccc(NC)c1	711871548	CBJFZQAVMDHKOF-CYBMUJFWSA-N	247.382	4.518	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1CCCC12CCCC2	712533260	GFVNGHMVRFLGQT-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC(C)(C)C)NCCC	713209546	CLULLLRWTBTVDI-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	713304270	KSHACRGELGSGNU-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@]1(CC(C)(C)C)CCCC[C@H]1C	713313242	IVPCQRGGXPIGRI-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](CCC(C)=C(C)C)NC	718509610	WMTKSEHGCKTCPU-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CC(C)=C(C)CCNC1CCC(C2CCC2)CC1	718514538	SCFCAZYUPZGWQS-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](N)CCC(C)=C(C)C	718622801	DRWODFRDXGGABU-IRXDYDNUSA-N	245.410	4.644	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1csc(Cl)c1	718749753	CRXAEPHWKAZSBB-UHFFFAOYSA-N	242.771	4.721	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)C1(C)CCC1	720707389	KIXYZBKDHKKLPK-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C(C)(CC)CC	721675554	SGKRYVDPCBOVFR-ZIAGYGMSSA-N	228.420	4.780	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@@H]1C[C@@H]1CC	723128204	UXKAWIOLPMMYCO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC/C(C)=C\C[C@H](N)C1CCCCC1	1082487241	TYKZEBDQWJLYGF-KSVUCXBSSA-N	249.442	4.977	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCCC[C@H]1F	1162508743	QHEIDUQRUZZJDD-UKRRQHHQSA-N	235.346	4.503	0	10	BJAE	
C/C(=C/Cl)CSC[C@H](C)CC(C)(C)C	1559403507	TZIAXQSBTXCVMD-PAKSIRSJSA-N	234.836	4.935	0	10	BJAE	
CCC1(C)CCC(NC[C@]23CCCC[C@H]2C3)CC1	1561008835	KBVKNYDVPVWBFF-ZGRYLRDCSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@](C)(O)CCCC(C)C)CC1	1900580466	NMABFMLSRRUCOA-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC=C(C)CC)NC	1900882897	OCYFGRXBNWHBSC-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC)CC1(CO)CCCCCC1	1905397186	COBKGYMJCJNBDV-CQSZACIVSA-N	226.404	4.536	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@@H]1CCC=CCCC1	1910142206	FCSIBKBJHBLTMX-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
C=CC=CCCN[C@@H]1CCC[C@H](C(C)(C)C)CC1	1912070451	SRHUHPATIFNKFT-JKSUJKDBSA-N	249.442	4.703	0	10	BJAE	
CCC(C)(C)C[C@H](O)CCC=Cc1ccccc1	1912107018	TZPHJFBKDNMFAV-MRXNPFEDSA-N	246.394	4.667	0	10	BJAE	
O[C@H]1CCCCCCCC[C@@H]1CC1CCCC1	1913403470	JSVFRQVQESBRSI-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
O[C@@]1(CC2CCC=CCC2)CCC2(CCCC2)C1	1916436153	QTMLNDOQZKQFMW-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@](C)(CO)C2CCCCC2)CCCC1	1923904464	LFMXBKDRVBPDIK-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@@H](C)C1CCCC1	1924123649	DQQPDUZJUWHYAR-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C=CCCCC1)C1CCCCC1	1925738735	XOGHFXRZMAUDOP-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@@H]2C=CCCCC2)C1	1925801225	ATFNRBQXEBVMGD-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)CCNCc1ccc(C(C)C)cc1	1926178012	SHYKBCWJZRXEEQ-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H](C)CCC(C)C	1937163694	XHJKTMONSRAGQD-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)CC1CCCCC1	1940790191	KGGJTROPGDELEY-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)CCC[C@@H]1CC1(C)C	1940874710	VPTNIYUMXZFLCX-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@H](N)CCC[C@@H]1CC1(C)C)C(C)(C)C	1940878577	UVLFFZLQXUEANU-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC1C[C@@H](C)C[C@H](C)C1	1944173968	DKVSZLAEWXFIOM-KCQAQPDRSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](CC(=O)C[C@@H]1CCC[C@H]1C)C(C)(C)C	1944796792	IFJADCXDGHAGKL-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@](C)(O)c1csc2ccccc12	1945612773	KAHZFYKFOCPJSO-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1[C@@H](C)[C@H]1CC	1945692717	KSVZRHULWYFCHO-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)NC1CCCCCCCCC1	1947881623	QWLYDJAPAXUKDE-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CC(C)(C)CC[C@]1(O)C[C@@H]2CCCC[C@@]2(C)C1	1948597466	XZOUXVUOWDVIAG-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CCCC(C)(C)C)CC1	1950931537	XMXDKOYRTFPYAV-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CC(C)CCCCNc1ccc(C2(C)CC2)cc1	1967851373	WXQXGJPEWQXSJV-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC23CCC3)c(C)c1	1968738604	BWWJSJAKZURXCN-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
CC[C@H](NC1CC2(CCCCC2)C1)C1CCCC1	1970931496	HNQUGWSHURRTAE-INIZCTEOSA-N	249.442	4.658	0	10	BJAE	
c1ccn([C@@H]2CCCC3(CCCCC3)C2)c1	1976032696	ZFKRGSMZHVCMET-CQSZACIVSA-N	217.356	4.554	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CC(C)=C[C@@H](C)C1	1978420114	DHMMGEXVBZKLEC-OCCSQVGLSA-N	222.372	4.518	0	10	BJAE	
C/C=C/C[C@](CC)(CCCC)CNCCC	1983585107	KRKXESKLEXWCBB-FUVBFXSKSA-N	225.420	4.539	0	10	BJAE	
CC=CCCC[C@@H](O)C[C@H](C)CC(C)(C)C	1984607726	QIAXLRANTSKVOQ-UONOGXRCSA-N	226.404	4.556	0	10	BJAE	
Cc1c(C[C@H]2C=CCC2)sc2ccccc12	1987577797	AXLSJLUWSQXJPA-LBPRGKRZSA-N	228.360	4.718	0	10	BJAE	
CCCC[C@H](C)C(=O)CC(C(C)C)C(C)C	1988296382	VWFRMIQMPQHTMV-ZDUSSCGKSA-N	226.404	4.700	0	10	BJAE	
CCCCC[C@H](CC)NC1CC(C)(CC)C1	1990094351	VGGCFTASTLFFAB-NFOMZHRRSA-N	225.420	4.514	0	10	BJAE	
CC=C(CC)C[C@@H](NCCC)c1cccs1	1992056130	FWRHKPONETYGMT-CYBMUJFWSA-N	237.412	4.535	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1C[C@H]1CCC	1993073095	VKGCLPDKSPBSBX-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CCC(C)(C)CC	1993599589	XBFBLIBEQAUJLQ-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC(C)Cc1csc(C(C(C)C)C(C)C)n1	1995446036	ZAWLUVAROSIEDV-UHFFFAOYSA-N	239.428	4.737	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H]1CC[C@H](C)C1)C(C)(C)C	1996230195	SIMFIEMALRWCRK-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H](C)C1CCC(C)(C)CC1	1996553854	QLNFEPWDVJXOBB-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
CCC1CC(Nc2ccccc2SC(C)C)C1	1996570066	KSUJBVCIGCFTJU-UHFFFAOYSA-N	249.423	4.788	0	10	BJAE	
CCCC(C)(C)[C@@H](CC1CCC(C)CC1)NC	1996612005	VIEIVFYYDYWYRJ-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC(=O)C2CC(C(C)(C)C)C2)CCC1	1998233909	BAQMHKHELWVQSU-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H](C)C1CC(C)(C)C1	1998638525	ISCASJGMIPMQQL-GUTXKFCHSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2(C(C)C)CCC2)C1	2000194968	KXOQLJVGMNRHAK-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)[C@@]1(O)CCCCC12CCCCC2	2001604291	QPHCBHBNOFTLIS-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)C1CCC(O)(CC2(C)CC2)CC1	2002503274	GXUMBMOPYDATJN-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)C(C)(C)C)CC1	2003067137	NRIZODSVKBUBHU-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H]([C@H]1CC[C@H](C)CC1)[C@@H](C)CCC	2003067487	UDHIQZKNTCWHAD-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(NC2CC(C)(CC)C2)cc1C	2009308279	LGCHYMOSVOWRSZ-UHFFFAOYSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@](C)(CCC1(C)CC1)CNC(C)C	2009544164	NBYJLBUCZBKSTG-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC=CCCCCc1ccc2ccccc2n1	2009593916	PLJHLGKEOCGPEG-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CCCC[C@@H]1NCC[C@@]1(C)C1(C)CCCCC1	2009769232	FJPPAWWQTOKWHC-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2010723157	SVUAUUGQHVDSTQ-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)C[C@@H](O)C1=CC[C@H](C(C)(C)C)CC1	2010727844	ZQEKLOTVXRKXOV-AEGPPILISA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)NCCC1=CC[C@H](C(C)(C)C)CC1	2010762531	JKRIZLWOCMHWOX-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CCC1=CCCCC1	2011186900	NFGNGLXHBZENTG-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)C1CC2(CC2)C1	2012414378	XOMYMSZHZNLOST-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)NCC12CCC(CC1)CC2	2012786837	BHFYBCKVKKUHDD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)C)C(C)(CC)CC	2015274701	ZHNGTNADIKTQQG-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)c1csc2ccccc12	2015277303	GFJOYMNOYWHUSP-RISCZKNCSA-N	247.407	4.583	0	10	BJAE	
CC(C)C(CC[C@H]1CCCCC[C@H]1O)C(C)C	2015347340	PFDBMBRIUYMAGS-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CC(=O)C[C@H]1CC12CCC2)C(C)(C)C	2015515173	FBCLWDWMMMUGJG-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@@H](N)[C@H]2CCCC[C@@H]2CC)CCC1	2015593648	DYBOWOYGXUAFPF-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C1(CC(C)C)CC1	2015760415	JYQGDLFEDSPFRH-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](N)(CC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2018132316	YEZDFGPUEJTSBF-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1C[C@H](C(C)(C)C)C1	2018134206	MOGDMNOWIZWTTE-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)N(CCCC(C)(C)C)C1	2019331009	VJCRLUYSHMOVDP-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C)[C@H](C)N(CCC(C)C)C1CCCC1	2019383655	DDSNABIGABNIMJ-GJZGRUSLSA-N	239.447	4.712	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)C1CC(C)(C)C(C)(C)C1	2019386582	ULPQOQGLPPHVKL-QWHCGFSZSA-N	239.447	4.568	0	10	BJAE	
CC1(C)CCC[C@@H](CCC2CCCCC2)[C@H]1O	2020407753	KCYOSODDPMGNDQ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCN(C1CCCCCC1)[C@H]1CCC[C@H](C)C1	2020506882	XXBMRTRKLWGIKD-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
c1ccc(C2CC2)c(NCCCCC2CC2)c1	2021026874	IBHIGQOFICCMRK-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC(F)(F)CCCC[C@@H]1CCCC(C)(C)C1=O	2023354333	YZQBCQSYINLMAV-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCC(=O)[C@H](C)CC1CC(C)(C)CC(C)(C)C1	2024101629	MBOUXFWLWVIOLD-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@H](O)[C@@H](CCCCCC2CC2)C1	2024144893	AZHGXXDIKIGNJK-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(CCC2CCCCC2)C1	2025627092	HNFGJQQBCXCAJY-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
c1sc(C2CCC3(CC2)CC3)nc1C1CCC1	2026539155	ZSMBZSSWYCVBPP-UHFFFAOYSA-N	247.407	4.848	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@]1(N)C1=CCCCCC1	2026917397	FXRDLIOEZDSRGE-PVAVHDDUSA-N	249.442	4.667	0	10	BJAE	
Cc1oc(C)c([C@@H](N)CC2(C)CCCCC2)c1C	2027311512	LJCQSDYONGKOOF-AWEZNQCLSA-N	249.398	4.565	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@H](C)C1CCC1	2027519031	YLPUQFZKPOFIOC-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CC(C)(C)C[C@H]1Nc2cc(C(C)(C)C)ccc2O1	2027860678	PIVFBBXXBNUQKV-AWEZNQCLSA-N	247.382	4.551	0	10	BJAE	
CCCc1ccccc1[C@@H](O)CC(C)(C)C(C)C	2027899103	MXEDDJQOOQZARN-INIZCTEOSA-N	248.410	4.745	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@]12CCCC[C@@H]1C2	2028629866	XARQGDZKFLUDLK-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1C1=CCCCCCC1	2028750773	LWLPLQQHJHXXRQ-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
C=CC=CCCC(=O)c1ccccc1C1CCC1	2029065413	CSRYYYXIVNUABO-UHFFFAOYSA-N	240.346	4.659	0	10	BJAE	
CCC1(CN[C@H]2CC(C)(C)CC3(CC3)C2)CCC1	2030288622	PRHFPGJLCLOLON-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CNC[C@@]1(CCC2=CCCCC2)CCCC1(C)C	2032112259	OZATUBQALCPGOO-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C(CCN[C@@H]1CC[C@H]2CCC[C@@H]2C1)CCC1CC1	2033064539	PUEYNPGKOZEXQE-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NC2CC(C3CCCC3)C2)C1	2033767257	MTHKSTKXRYJYGX-PCKAHOCUSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)C[C@H]1CCCC[C@@H]31	2034144461	ITOPRQFSPJNLFL-CHWSQXEVSA-N	239.362	4.615	0	10	BJAE	
CC1CCC(C[C@]2(N)CC[C@@H]3CCCC[C@@H]32)CC1	2034256733	JMLBTQKDIVHTIT-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2C[C@@H]3CCCC[C@@H]3C2=O)C1	2034266135	WTHKIASBAQAUOL-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CC=C[C@H](C)N[C@@H](C)c1ccc(CCCC)cc1	2034975665	ACOQJJAJFKDDCD-GJZGRUSLSA-N	245.410	4.644	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@H]3C[C@@H]3C2)CCCC1	2035887432	PHLPWOZBOADQGJ-ZMSDIMECSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@H](C)CC(C)C)c1ccccc1	2036383965	QEGMRLABDSZBFQ-VYDXJSESSA-N	247.426	4.798	0	10	BJAE	
CC1(C)CCC[C@](N)(CC[C@@H]2C[C@@H]2C2CC2)CC1	2037128958	ZBVAVOPQWQVPOR-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1CCCCC1)[C@@H]1CCC2(CCCC2)C1	2037588510	DKACGQNXVTXKAM-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2CC3(CCC3)C2)CC1	2038090921	WRQOFZDVVLOXFA-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccc(C2(C)CC2)cc1	2038362767	JDDQFXWFYADUKA-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
CCCCc1ccc([C@H](N)C2(CC)CCC2)cc1	2039719749	KUULPYOIIUZIKN-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
C[C@@H](NC1CC2(CCCC2)C1)C1(C)CCCCC1	2039867812	KPKHCGXNUBOLBK-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(N[C@@H](C)C2CCC(C)CC2)ccc1F	2040633901	SWVHZAAWAJMWKQ-QRMWWUJWSA-N	249.373	4.761	0	10	BJAE	
N[C@@]1(CCC2CCCCC2)CCCC2(CCC2)C1	2041289062	FOQLVCRVFDBXCM-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC(C)C1CCC(NC[C@@]2(C)CC=CCC2)CC1	2042069927	OTEQUIFVCLQLPL-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC1(C)C)[C@H]1C=CCCC1	2043187752	ODTOHTNIKNXBSE-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](Nc1cccc(C2CC2)c1)C1CC(C)(C)C1	2043554927	XBJKWULXNCNFNY-GFCCVEGCSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc(C)c([C@H](N)[C@H]2CCCC(C)(C)C2)c1	2045507581	TZNQLROLVOYPCL-GOEBONIOSA-N	245.410	4.520	0	10	BJAE	
N[C@@H](CC[C@H]1CC12CCCCC2)CC1CCCC1	2047017876	YRCYFTVBWSYVES-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2CC23CCCC3)CC1	2047066191	TYRIVSGGPWXLCZ-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@]1(C)CC=CCC1	2047727303	WBGOFVNGUHONSU-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048386286	YNIVXSFJTRGKTD-SMLCLMEVSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC([C@H](C)NCC2(C)CC=CC2)CC1	2049411647	KBHYEOSRSHZERF-FHERZECASA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC([C@@H](C)N[C@@H]2CC=CCC2)CC1	2049425188	PNZRUJKDFWTMOF-RDHHWEPZSA-N	249.442	4.680	0	10	BJAE	
CCNCC1(C[C@@H]2CCC3(CC3)C2)CCCCC1	2049857248	MTJKNFXTSNVQDI-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC2(CC2)C1)C1CCCC1	2049864938	KZIIFDKEYPGRFI-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](N2CCCC[C@@H]2C2CCCCC2)C1	2051669181	RILNXYIIQNQNLC-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
CCCC(CCC)CNc1ccc(OC)cc1C	2052173671	XKLNYLIYNFCLRI-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
C1CCCC(NC[C@@H]2CCCCC23CC3)CCC1	2053434650	VEBYZFVMZCSOGK-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC1=C(C)[C@@H](N)[C@H](CC2CCC(C)(C)CC2)CC1	2055526116	LCZMCVAPFREECA-JKSUJKDBSA-N	249.442	4.667	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1CCC[C@@H](CC(C)C)C1	2055671419	IDQITLROPHVZIZ-BBWFWOEESA-N	249.442	4.680	0	10	BJAE	
FCc1ccc(NC2C3CCCC2CCC3)cc1	2055678500	RHTQJQKQQZCHJK-UHFFFAOYSA-N	247.357	4.537	0	10	BJAE	
C[C@@]1(C(=O)CC2CC(C3CCC3)C2)C=CCCC1	2056666751	VRCIVPDOZJRYQZ-PUJMQQBBSA-N	246.394	4.518	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C2CC(C3CCC3)C2)CC1	2057498704	UZXBUQJDQKXRBP-YCVWASFZSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@@H]1CCCCC12CCC2	2059220997	HPPBHNNXLNQPOV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1cccc(C)c1F	2059249553	IOWJOBUSTOYIRJ-DRDHIDPGSA-N	249.373	4.531	0	10	BJAE	
C[C@@H]1CC=C([C@H](N)[C@]2(C)CC[C@@H](C)C2(C)C)CC1	2060923737	ZTGPGWSAHGCRKU-LGWLGOQQSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](CC)CC1)C1CC(C)C1	2061082647	WYMQXAGJVUSZRE-CPBWPMLKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@@H]2CCCC2(C)C)CC1	2061085399	QSKFLYQSJCJIQN-KBMXLJTQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@H]1CC1(C)C	2061088229	LOLPKTUHAXSPGY-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC1CC(=C2CC2)C1	2061227217	LBRHTUURAAKAIZ-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
C=C=CCC[C@H](NCCC)C1CCCCCCC1	2061565547	DSOVPYQIRZHUKQ-KRWDZBQOSA-N	249.442	4.836	0	10	BJAE	
CCCN[C@H](CC1CC(=C2CC2)C1)C(C)(C)CC	2061725941	KHXUTQKHBVOUFY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C[C@]2(N)CCCCCC23CC3)CC1	2062020643	ORRWRSCLTXESSV-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1C[C@H]2CCC[C@@H]2C1	2063510558	PPQISGLKHFFJNL-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@]1(CC23CCC(CC2)CC3)CCCN1	2065307287	FPWYVJNCJNWDDA-JCYILVPMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H](N)C1(CC2CC2)CC1)C1CCCCC1	2069515865	SMSBUYOHGPUIQW-XJKSGUPXSA-N	249.442	4.501	0	10	BJAE	
Cc1oc(C)c(C(=O)CC2(C(C)C)CCC2)c1C	2071918283	CBGVVYZRWIEWTJ-UHFFFAOYSA-N	248.366	4.604	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@]23C=C[C@@H](CC2)C3)CC1	2072874771	GGPHTRUXDCZJMT-JKQORVJESA-N	246.394	4.518	0	10	BJAE	
C1=C[C@H](N2CCC[C@H]3CCCC[C@@H]32)CCCCC1	2074810480	PORFMBWUJNQKOY-IKGGRYGDSA-N	247.426	4.530	0	10	BJAE	
CCC1CCC(N2CCC3=C(CCCC3)C2)CC1	2074855768	CMDUVCXNOZNOTN-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1(CC2CCC2)CC1	2077188147	TZAGTKRFFCZXLA-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@@H]1C[C@@H]1CCC	2079438179	GPBSGKNZLZCMPI-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H]1C[C@H](C)c2ccccc2N1	2079669073	FAJDZJNJTPUFJJ-GBJTYRQASA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)CCC[C@H]3CCCC[C@H]32)C1	2081118552	NJNQTSGVVRSXJC-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1cc(C)cc(C)c1C	2082943100	YBIQXJAULCGZSH-MRXNPFEDSA-N	248.410	4.862	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H]1CCCNC12CCCCC2	2083815606	HYIWRGQKHVXBJW-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CC1CC(CC)C1	2084995989	UNZSKLPYNAZLIC-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H](O)C1C[C@H]2CCC[C@H](C1)C2	2213288344	UTKUKUDLUHNBGH-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H](O)[C@H](CCCCCCC2CC2)C1	2213580703	NRPSCGNIOKPYOO-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C[C@H](SCCCCC1CC1)c1ccc(N)cc1	2214561580	YPPTWOYWJNKAFG-LBPRGKRZSA-N	249.423	4.643	0	10	BJAE	
C[C@H](C[C@@H](N)CCCCC1CC1)CC(C)(C)C	2214573651	OQGTXRUZDKZUCB-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CCC(F)(F)CCC(=O)[C@@]1(C)CC=C(C)CC1	2215824720	WPVXKTOIJDNDCF-ZDUSSCGKSA-N	244.325	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CO)CC=C(C)CC1	2215832276	GLWANSHZKWHDJP-JKSUJKDBSA-N	238.415	4.702	0	10	BJAE	
CC(C)C[C@H](C)N[C@H]1CCC[C@@H](C(C)(C)C)C1	2216260242	WURHKMIAKAEIFR-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@]1(CN[C@H](C)CC)CCCCC12CC2	2217151069	RJTHHIBCYSYOTB-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CC(C)(C)C1)[C@H]1C=CCCC1	2221017128	SJLNUEJSFQEEHF-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCCCCCC1CC1)C1(C2CC2)CC1	2223118964	DEXWSMOMTLCUCJ-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC(=CCCCCCCC1CC1)C1CCNCC1	2223130898	SAQCVNRKIBTCSO-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H]([C@H]1CCC(C)(C)C1)N2	2224118610	ADYPQPUNYYWEGO-HOCLYGCPSA-N	243.394	4.548	0	10	BJAE	
CCC[C@H](CC)NC(C(C)(C)C)C(C)(C)C	2243359852	KBENHPWNWQTIPX-LBPRGKRZSA-N	227.436	4.616	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCC1CCCCC1	2244773845	CTFJKDLJPQXVCM-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)CC1(C)CC(C)C1	2246591953	VHBSFJDRZUQCPV-UIDBIOKJSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CCCC[C@H]2C[C@@H]2C)C1	2247120097	MAAVERGMUUULIY-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CCC12CCC2	2247392632	YQEFIHJTQPNBBS-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)N(CC1=CCCCC1)CC(C)C	2247469484	WXYKBGDHHWETRS-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC[C@@H]1CCCC12CC2	2247656506	RJPHWBSRYHDUDM-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCc1ccsc1CNc1cccc(C)c1C	2248054520	AGGKUBDPMIDBBR-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)C1(C)CCCC1	2248810244	VUKRWPKMEXSBKQ-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)NCCCCC[C@@H]1C[C@@H]1C	2248869075	FVEGXEKIBKXVLB-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1ccc(C(C)C)cc1	2250361270	LCQKRIDKUFJOMT-CZUORRHYSA-N	234.383	4.670	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2250362739	XAHIVSYWEHVTPV-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CC1(C)CC2(CCC2)C1	2250370978	KDIASDWWKGZSJQ-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CCCCC[C@@H]1C[C@@H]1C	2250371470	LLEQVKBFPJZEHL-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CNC1CC(CC(C)(C)C)C1	2250380157	XOXXIZRBCZYYGG-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)c1ccco1	2250488453	NDCDYPAMHDXTDR-UONOGXRCSA-N	237.387	4.522	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1(CO)CC=CC1	2250488866	RWKLLUKIMWJXGQ-OAHLLOKOSA-N	238.415	4.558	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@]12CCC[C@H]1CC2	2251102711	DQVNZGWCBJGUQN-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C[C@@H]1CCCCC12CC2	2253783324	MQFVCWLJOWRKKD-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)C[C@@H]2CCCCC23CC3)C1	2253829947	ATOJJUURPJVTBG-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1CC2(CCCC2)C1)C1(C)CCC1	2254119180	JLKNYPRLIRXDLP-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)CC1CC2(CCCC2)C1	2254125726	QJUWEFCHNBDRCI-GDBMZVCRSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCCC[C@@H]1C[C@@H]1C	2254604122	GUSBZIOQPBHMPS-FIDHJVLJSA-N	249.442	4.523	0	10	BJAE	
CCC[C@@H](CC)Oc1cc(C=O)cc(C(C)C)c1	2254726641	LNZBZIUPBSXGMZ-OAHLLOKOSA-N	248.366	4.580	0	10	BJAE	
CC(C)CNC[C@@H]1CCC[C@@H]1CC1=CCCCC1	2255097427	SJTKSFBHTMBKKC-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)c1ccc(O)c(CC2=CCCCC2)c1	2255177030	XUVDXBLTMJBPLO-ZDUSSCGKSA-N	244.378	4.949	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CCCC12CC2)C1CCC1	2255278067	KLAGRKMSYMCFOV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)C1CC2(CCC2)C1	2257254021	FKPFURAFWXCOJI-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCn1ccc2ccccc21	2257310590	HPOUTEGUWGRKCA-ZBFHGGJFSA-N	241.378	4.858	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)CCC2(CCC2)C1	2257316478	RFRNDYGXPBHOLG-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@]12CCC[C@H]1CC2	2260486519	CIUQSPHISZRZMX-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(NC[C@]23CCC[C@@H]2CC3)CC1	2260537066	KGWMFDISPBHRPM-MNAZLIDISA-N	249.442	4.515	0	10	BJAE	
CCCC[C@](C)(O)c1cccc(C2CCCC2)c1	2260660814	BLBTYZVKDNHQOC-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
CC(C)(C)C1CC(N)(C[C@@]23CCCC[C@H]2CC3)C1	2260679912	UOSGFCVVXYTBLF-SMOLVSOFSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@H]1CCC[C@H](C)C1	2300472129	NTIJCIOFXVRACI-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CCC(C)(C)C1CC1	2300504887	GFKKIUQQFIJZQO-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]1C[C@H](CCC(CC)CC)CC[C@@H]1C	2300677275	XWSBTZNNRIHHMS-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](CO)C1CCCCCC1	2300685384	DWFASYNGHNODOB-INIZCTEOSA-N	240.431	4.782	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCC[C@@H]1C(C)C	2300688795	QLTVXYXHZDVNBB-HUUCEWRRSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@H]1CCC[C@H]1C(C)C	2300691845	YYQJVXGLESNHOT-ARFHVFGLSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CCC(=O)c1ccc(F)cc1C	2300704279	PSUSXCNPALKGLU-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CC1(C)CC[C@H](N)[C@@H](CC2CCCCCC2)C1	2301140991	UMHWQEXEFGCJCF-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(C(=O)O)[C@@H](C)[C@@H](C)C(C)C	2301958190	IKWIXBPWQPKMDJ-YDHLFZDLSA-N	242.403	4.586	0	10	BJAE	
OC1(CCCC2=CCCCC2)CCC=CCC1	2302323653	QNQRCUOYYRTBKM-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@H]1CC[C@H]1C(C)(C)C	2303361544	LKIROJLJJNFVIM-ZNMIVQPWSA-N	238.415	4.556	0	10	BJAE	
CC1=C(C)C[C@@H](NCCCCCC(C)C)CC1	2303459747	UMOTUQHSYWDUCE-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](O)C2CCCCC2)C1	2304351698	KAGIBSIKLPDZGZ-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)CC[C@@H]1CCC(C)(C)C1	2304447983	TUBPZCYAXQEKFJ-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)CC1(O)CC(C2CCCC2)C1	2307841011	HRWHBTCRHYWEMM-IUDNXUCKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1CC(CC2CC2)C1	2307925108	QTXGFFMSUCSZSJ-LRVUVFPRSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1C[C@@H]1C)[C@@]1(C)C=CCCC1	2310436459	MKXRPBUNNYOHFY-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCN(C1CCCCCC1)[C@H]1CC[C@@H]2C[C@@H]2C1	2311294333	WFRRHTBQNBWCFQ-INMHGKMJSA-N	249.442	4.610	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@H]1C[C@H]1C1CCCC1	2311511781	HVDITBDTYYCCCW-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCC1	2311516442	MXZRLWASBOOWMH-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@](N)(C[C@@H]2C[C@H]2C2CCCCC2)C1	2311570103	CFRUNFHSFLDLJD-QSPRXWTASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311611245	QXKBXAIUCNMXFZ-MMTVNHQJSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313187984	DLNIIBRQVTUGAX-FIDHJVLJSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC1CC2(C1)CC21CC1	2315947972	WVMKKVKNLYVUCP-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
C1=CCC2(CCCC2)N(CC2CCCCCC2)C1	2316880566	YBVSAGOUKYITQC-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)C(C)=C(C)C	2317965633	ZQNIXWYEUIATOX-KRWDZBQOSA-N	249.442	4.992	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)C[C@@H]1C[C@H]1C	2318569703	SGHCVDFZTMOBHM-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C2(CC3CCC3)CC2)C1	2319123927	NRCPQIACAREFRC-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)C23CCC(CC2)CC3)C1	2319124820	XCRWZQOSXPBFEU-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@H]2CC[C@H]2C(C)(C)C)CC1	2320394105	MHYUMYWZBMBHDF-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1CC	2320395956	XXXCPCRMPPRBEN-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C[C@H]1CCC(C)=C(C)C1)C(C)(C)C1CC1	2320412738	PJHZIPGIABTXGU-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](O)c1cccc(C(C)C)c1	2320517530	QLZWLGVCFPNMSU-HYVNUMGLSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1	2321614123	RRGAYQBRBLLACT-NYTXWWLZSA-N	248.410	4.598	0	10	BJAE	
Cc1coc(C)c1[C@H](N)CC[C@H]1CCC(C)(C)C1	2321651215	XBRZYOOFPASMQK-UONOGXRCSA-N	249.398	4.503	0	10	BJAE	
CCC[C@H](C=C1[C@@H](CN)CCCC12CCC2)CC	2328085272	MENABJUZYJHHOB-HUUCEWRRSA-N	249.442	4.668	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H](C)c1ccc(C)cc1	2328265060	HQVZJMSGJBOZFP-LSDHHAIUSA-N	246.394	4.884	0	10	BJAE	
CCCCCCn1c(C(C)C)nc2ccccc21	6564472	KRESNVBDLIEXNN-UHFFFAOYSA-N	244.382	4.740	0	10	BJAE	
c1cc2cc(NC3CCCCCCC3)ccc2[nH]1	21796027	LUHSQIAFEVCZEC-UHFFFAOYSA-N	242.366	4.693	0	10	BJAE	
Cc1ccc(N[C@H](C)c2ccccc2C)cc1C	21813061	QQQLDCVCIZBXCT-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CCCCCC(=O)C[C@@H](CC)CCCC	59751734	SSQGISLAUOHTCP-ZDUSSCGKSA-N	212.377	4.742	0	10	BJAE	
CCC(CC)[C@@H](O)c1ccc(C)c2ccccc12	79905726	MVPRRLPKUBHDDO-QGZVFWFLSA-N	242.362	4.618	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCCC(C)(C)C2)c1	79971233	GCCSESUKZLIGPR-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
COc1cc(C)cc2cc(C3CCCCC3)[nH]c12	84070966	MIFRVQXGYMEQFT-UHFFFAOYSA-N	243.350	4.533	0	10	BJAE	
CCc1ccccc1O[C@@H]1CCCC[C@@H]1CC	85151034	ANQXVGNPBCRWGB-GOEBONIOSA-N	232.367	4.597	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)[C@H](C)CC	87172829	YCMRRAGBSYJGSV-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)c1ccco1	94984391	XVIDJMDRPCTXBK-ZDUSSCGKSA-N	237.387	4.537	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)[C@@H]1C[C@H]2C=C[C@H]1C2	102899146	KRWNTAPAEYSNFI-NRKLIOEPSA-N	249.442	4.536	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cccc(F)c1F	103990543	HNSZXLJPAYNTCX-LLVKDONJSA-N	241.325	4.736	0	10	BJAE	
CCCN[C@@H](c1ccoc1C)C1CCCCCC1	132911255	PERZVLILPVLAMB-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CCCNC(CC1CCCC1)CC1CCCC1	162739250	APKBCEULJZSCNX-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1cccc(C)c1C	165758159	DVWXLACWUXHWAY-GDBMZVCRSA-N	244.378	4.703	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CC1CCCCC1	166778118	YBQRDHODJFXZNV-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C1CCCC1)C1(CC)CCCC1	167543000	FQDAVQZDNLEQFT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)C1CCCC1	168035687	DMXKBGAGCVHQQY-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C1=CCCCCC1	203418868	JNGGLIYHVXKGIU-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@H](C)CCCCCCC/C=C\CC(=O)O	205340881	RDHKSDZLNKRQSK-FPAJZGIOSA-N	240.387	4.794	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCCCC2(C)C)c(C)c1	226524781	UNGIQIXQSGYCRH-OAHLLOKOSA-N	244.378	4.703	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1cccc2ccsc12	228960476	LKZBQHNZRRDHSW-SMDDNHRTSA-N	247.407	4.598	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H]1CNc2c(F)cccc21	232782561	QGBOFSIREPXIGZ-OLZOCXBDSA-N	247.357	4.551	0	10	BJAE	
CCCCC[C@@H]1C[C@H](C)CC[C@H]1CNC(C)C	250816533	JIIKQCMKLUAABQ-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@H]3CC=C[C@H]32)cc1	252425361	MZJFTGGZGNKDEF-LBRJOISOSA-N	241.378	4.577	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1Nc2ccccc2C[C@H]1C	302431025	VJRQEUIEFGFSNB-JJRVBVJISA-N	245.410	4.732	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1/C=C/CCCCC1	302548257	ZPMCNBYUWYRMET-KQWWGNALSA-N	237.431	4.680	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)C(C(C)C)C(C)C	302592293	UOUXKQPXNBHKRN-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@H](C)C(C)(C)C	304280258	MCVGXCQGRVRMJY-NSHDSACASA-N	239.790	4.743	0	10	BJAE	
CCC[C@](N)(CCC1CCCC1)c1ccccc1	305897868	SALMXUXGNZKJRD-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
Cc1ccc2sc(Cl)c(Cl)c2c1	306240913	LSTBRMXNYDOVNS-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCc1ccccc1[C@H](NC)[C@H](CC)CC(C)C	308069638	QHUOUYBEXXWQSX-NVXWUHKLSA-N	247.426	4.582	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](CC)CC(C)C)cc1	308102504	GWAPXEDUUYOHDX-HNNXBMFYSA-N	246.394	4.894	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@H]1NCC(C)(C)C1=CCCC1	308761099	ZKERYRYMSWRPCS-IJEWVQPXSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)CNC(C)(C)C(C)(C)C	309326831	IGEHVIWWHGLPCY-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
C1CCC(CC[C@H]2CCC[C@H]2CNC2CC2)CC1	310629991	IIVLQFPMLSUKBH-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C1CCCCCC1	310910362	DXQFTFYMFOOWQQ-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CC[C@H](C)C[C@]1(CNC(C)(C)C)CCC[C@H]1C	318258275	NFGGOTUIOLVTKQ-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)CNc1cc(Cl)ccc1Cl	380011221	RQSNENIPXNUGTN-VIFPVBQESA-N	246.181	4.697	0	10	BJAE	
CCCC1CCC([C@@H](O)CC2(C)CCC2)CC1	380048552	LFUQBNRHGNEAJP-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@@H]1CCC[C@H]1C	383225015	GJCVFMSYXNBQMO-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)[C@@H]1CC1(C)C	383320498	XOZGTXKBQFSEFI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@H](O)CC1CCCC1)C1CCCCC1	383897426	VWTUFSTVRFJDFQ-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)C[C@@H](C)c1ccccc1	384736291	KQEOWLVUHHZPRS-ARFHVFGLSA-N	247.426	4.595	0	10	BJAE	
CCCCCC[C@@H](CCC1=CCCCC1)NC	385862954	ZYLSTLRTMJJKOC-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)CCC1=CCCCC1	385863509	HUMYMQWYQKANEV-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CCC(CC)(CC)CNC/C=C\c1ccccc1	391134652	ORNYITDEMQUASB-RAXLEYEMSA-N	245.410	4.506	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)c1cc(C)cs1	393480622	DACVCVHLPFQPHL-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
Cc1ccc([C@@H](O)C2(C)CCCCCC2)cc1C	394666114	NCSYGBBHPZCULY-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CCc1cc2ccc(C)c(C(F)F)c2s1	396196411	HAYNKTJLWIFKPM-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCC[C@@]1(C[C@H](C)C2CCC2)CCCCCN1	398617105	CQUJXDPMHKYPNK-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]([C@@H](N)c1cccc2ccsc12)C(C)(C)C	399088302	AOWXWWIKEXAABL-GXFFZTMASA-N	247.407	4.583	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@H]2CC=CCC2)cc1	402271412	IOZCVGOMETXEAK-YOEHRIQHSA-N	243.394	4.556	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C1CC1)c1ccoc1	405769975	ZLCCRCFSHKZESD-OAHLLOKOSA-N	249.398	4.537	0	10	BJAE	
Cc1ccc2c(C3CCCCC3)c[nH]c2c1C	527397654	LLMORJFROCPQIM-UHFFFAOYSA-N	227.351	4.832	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C1CCC2(CC1)CC2	688421152	WSUDSDMWSRJURK-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@](C)(O)CC2CCCC2)cc1	689777326	KDIMVNUUCPHCNS-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
C1=CCC(CNc2ccccc2-c2ccccc2)C1	692043878	YQQLDJNZBFMVIO-UHFFFAOYSA-N	249.357	4.732	0	10	BJAE	
CC(C)C(NCCCC1CCCCC1)C(C)C	694060118	SPEWTVIPJUJMMY-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CN[C@@H]2C=CCCCCC2)C1	695337900	ZDVIXJRAIPIIBG-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](CCC=C(C)C)NC)CC1	697747404	DYOVTKKDRRHLMB-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCCc1ccc(C(=O)C2(C(C)C)CC2)cc1	700219662	OYQPCFBZOYBQJG-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCC[C@](N)(C[C@H](C)C1CCCCC1)C1CC1	705325913	RVSWMNLIVFWTIL-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)CCC1CCCCC1	708315356	OOEGBOIMKNOVQA-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc([C@](C)(N)C[C@@H](C)CC(C)(C)C)cc1	709148072	TTWYTMYNZABSNG-WMLDXEAASA-N	247.426	4.631	0	10	BJAE	
CC[C@H](C[C@@H](O)C[C@H](C)CC(C)C)C(C)(C)C	711183230	VLQHFCHNHFSPMC-KFWWJZLASA-N	242.447	4.882	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1ccc(C)c(C)c1	711324878	FALAZGLGPUWUMN-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	714389708	CVOQYUHPPYUVGZ-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
Nc1cccc(-c2ccc(C3CC3)s2)c1Cl	716599609	BCFZDASIOUNTOX-UHFFFAOYSA-N	249.766	4.528	0	10	BJAE	
CC(C)=C(C)CCOc1ccc(Cl)cc1F	718595356	QEUFPHBNADRGFC-UHFFFAOYSA-N	242.721	4.604	0	10	BJAE	
Cc1cccc(OC2CCCCC2)c1CC1CC1	725442364	JXZCAVPPHFHZTP-UHFFFAOYSA-N	244.378	4.659	0	10	BJAE	
CC(C)c1cc(Cl)cc(OC(C)(C)C)c1	829086182	ODSUHRHTTGTZOT-UHFFFAOYSA-N	226.747	4.641	0	10	BJAE	
Cc1ccc(-c2cccc3sccc23)c(O)c1	1241042806	BIHPHFPZFHDJLP-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
C1=C(CCSCC2C[C@@H]3C[C@H]3C2)CCCC1	1459203908	OLEUQTUORSMAKL-HUUCEWRRSA-N	236.424	4.656	0	10	BJAE	
Cc1ccc(SC[C@H]2CCCC[C@@H]2C)s1	1613865531	DMFHYMHFSXDAAU-CMPLNLGQSA-N	240.437	4.975	0	10	BJAE	
C[C@H]1C[C@@H](NC2CCC3(CCC3)CC2)CC[C@H]1C	1656064464	YEASFUWQQZCHEO-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC(C(C)C)C(C)C	1658148904	SVLJJLVTYJWULY-HNNXBMFYSA-N	239.447	4.639	0	10	BJAE	
CC1CC(CN[C@@H]2CCCCC23CCCCC3)C1	1875416997	AOLXWEWHSJRVFI-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C)C(C)=Cc1ccc(C(C)C)cc1	1879003678	SHMCNQNWWRFBIN-HNNXBMFYSA-N	245.410	4.601	0	10	BJAE	
CC=CCCCc1ccc(C)c(Cl)c1	1885358676	LMVAVCSSYPXDRM-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CC(C)CCCc1cc2sccc2s1	1889481114	OITILLKFBSCQHN-UHFFFAOYSA-N	224.394	4.942	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H](C)CCC	1900857886	KOOFLJOVBQSFDT-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@](C)(O)S[C@@H]1CCC[C@H](C)C1	1904836398	FCPDVCDBVHHGQR-BFHYXJOUSA-N	244.444	4.587	0	10	BJAE	
CCC[C@@H](CC)CNc1c(C)cccc1C	1905345928	GMMWTDVSJLSBDE-CQSZACIVSA-N	219.372	4.542	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccccc1Cl	1905454901	VXSNYLBRXNNOJX-SMDDNHRTSA-N	239.790	4.556	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@@H]1CCC[C@H]1C	1906231177	BCQSHUXFDKZGCR-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CCC[C@H]1C(C)C	1907599395	BDJOKIVCCHUMOM-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC[C@@]12CCC[C@@H]1C2)NCC	1908447543	ZJSXGGSGBLOROI-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)[C@H]1CCCCCCCC[C@H]1O	1913398033	LXXFCZSTXJPPMU-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)c1ccc(C(C)C)cc1	1919969152	HELPGXMCAHQUML-WMLDXEAASA-N	248.410	4.844	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1CCC(C)CC1	1919975256	OEDYWJIXGSPJEG-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
CCNC[C@]1(CC2CCCC2)CCCC12CCC2	1921610333	NCZLAYIFLNKOEU-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CCC[C@H](NC2C[C@H]3CCC[C@H](C2)C3)CC1	1923480078	JXTREHRHUZZQEB-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(=CCC2CCCCC2)[C@H](CN)C1	1927147467	LUWFSYUAJNYWJZ-INIZCTEOSA-N	249.442	4.668	0	10	BJAE	
CC(C)CCCC(=O)[C@@H]1CCC[C@@H](C)CC1	1939903974	RQEHLTLNELKHMX-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCCC1(N)CCCCCCC1	1940881803	NMMOFLWPYGLOEA-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CN[C@H]([C@@H](C)CC(C)C)[C@@H](CC(C)C)C(C)C	1941267702	VTGOZWNJDZGYQT-HRCADAONSA-N	241.463	4.575	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@H](CC)C(C)C	1941273818	VPBNAEJVYKMJSA-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CSc1ccccc1NCC1CCC=CCC1	1941822249	WISQBVCYQLOFEV-UHFFFAOYSA-N	247.407	4.567	0	10	BJAE	
CCCCCCC1(CNCCC)CC(C)(C)C1	1941977586	VAFOEHRQHZNZLY-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](C)CCN[C@H](CC)c1ccccc1	1942801703	SSNAHKXMUULJNN-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@]1(C)C=CCCC1	1943136313	SNBDGHUTSBDXQS-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@@H]1CCC[C@H]1C	1944799450	NTTBCIXRNKQBNS-ILXRZTDVSA-N	238.415	4.844	0	10	BJAE	
CSc1ccccc1N[C@H]1CCC[C@@H]1C(C)C	1947470944	WHAXKLZGOCZMAV-OLZOCXBDSA-N	249.423	4.645	0	10	BJAE	
C1=C[C@@H](CCCCCC2CCOCC2)CCC1	1947553490	YVCAATHXAJELRW-OAHLLOKOSA-N	236.399	4.720	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C[C@@H]1C=CCCC1	1947578448	XJWRHSFYRLGWPC-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@@H]1CCC(C)(C)C1	1949518895	NATSABNIBOIVMQ-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CC1CC2(CCC2)C1	1949856464	BILQHEIVOSPDDL-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2CC(C)(C)C2)CC1	1950929328	GITVMWCYOLXCJV-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCc1ccc(NC2CC3(C2)CC(C)(C)C3)cc1	1968314067	OODWYJKDFSHVII-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
Cc1cc(C)cc(-c2ncc(C(C)C)s2)c1	1968651351	RYXQIWLYTHHGEN-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
CCC1CCC(CN2CCCCC23CCC3)CC1	1969943537	WPXBJNLJBPNQDI-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](CN[C@@H](C)c1cc(C)cc(C)c1)C(C)C	1973383150	CIWNIYWLBDCXTB-JKSUJKDBSA-N	247.426	4.636	0	10	BJAE	
CCCC(C)(C)[C@@H](CC(C)(C)CC)NCC	1976011682	YGLBGPYBVCCCKN-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1CCCC(C)(C)C1	1980275256	XJVOXSCFNYFELP-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CC(C)CCCC[C@H](O)c1cccc(Cl)c1	1980680640	IVKZKJZVGUYNIY-AWEZNQCLSA-N	240.774	4.590	0	10	BJAE	
C/C=C/CCCC(=O)C(C)(C)C1CCCC1	1984581338	UEFWGTWEURRLMF-SNAWJCMRSA-N	222.372	4.518	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)CC(C)(C)C	1986940721	ZLYZSCUCHCULAP-UONOGXRCSA-N	227.436	4.616	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cccc(SC)c1	1989819135	PESAHNNGXHFTQS-LLVKDONJSA-N	237.412	4.645	0	10	BJAE	
CCCC1(CC(=O)c2cc(C)sc2C)CC1	1990601412	IRJQFLHDTJTVJP-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCC[C@@H](CC1(CCC)CC1)NCCC	1990646779	JSMAKCSGENLWOW-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](CCCC1(C)CC1)NCC	1996614262	AVYFZMIJDGERLP-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCN1CCCCC12CCCCC2	1997197252	VRYKLWXIJHKQRB-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC1(CN[C@]2(C)CCCCC2(C)C)CC1	1997427447	XIWIIHQGCVMINR-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
O=C(CCCC1CC1)c1cccc2sccc12	2000213800	PENUMGHCRSRTBS-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCN[C@H](CCC1(C)CCC1)CC1CCCC1	2001153485	JVBJKXYYYCVNKJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
O=C(c1ccsc1)[C@@H]1C[C@H]2CCCCCC[C@H]21	2001493965	DHFYZFHCFYHGFI-MRVWCRGKSA-N	248.391	4.537	0	10	BJAE	
CCC1CC(C(=O)c2cc3ccccc3s2)C1	2002320915	AIRPLDPIQDKNAF-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CCCCCN(C)[C@@H](C)C1CCC(C)(C)CC1	2002969443	ZHSFPDBAJBWFBV-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CCCCCC[C@@H]2O)C1	2003097467	ATCXCIIOAMCZOH-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H](CCC)C(C)C	2004231451	PYDDNULWSBDXPG-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
C[C@H](C[C@@H](O)C1(C)CCCCCCC1)C1CC1	2004920537	KYIRHXLLKKIADO-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(CN)CCCCC1(C)C	2005588726	HERJTLXRWKKEFV-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H]1CCCCC12CC2	2005599178	GTYYWGNGRCAYPR-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC1=C(C)[C@H](O)[C@H](CCCCCC(C)C)CC1	2006895795	XRIAGASNDDSPGP-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)C1(C)CCC(C)(C)CC1	2007699662	YIWNEIMDANXMBU-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CC2CCC=CCC2)CC1	2009404504	OAZRPORMGCJQRK-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@H](O)[C@@H](CC2(C)CCCC2)CC1	2009408811	WNDSYRGEALZZPF-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](C)CCC1=O	2009412624	ZDVXCBSOUXMCPD-ILXRZTDVSA-N	238.415	4.988	0	10	BJAE	
CC(C)CC1([C@H](N)CCC2(C)CC2)CCCC1	2009543366	FYOYBMAJLCYINX-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C1=CC[C@@H](CC)CC1	2010729979	UAPZTXLJHJVVOA-SQWLQELKSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)C1=CCC(C)(C)CC1	2010770055	WBSHVTYCIKRCEG-UKRRQHHQSA-N	237.431	4.523	0	10	BJAE	
CC[C@](CCC=C(C)C)(CNC1CC1)C(C)C	2012412693	PFHIPEXAKNQXOJ-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
C[C@H](N[C@H](C)CC1CCCC1)C1(C)CCCC1	2014338498	OWPFNTPFDBDTTR-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](C[C@@H](C)C(C)C)NC	2015278271	MQVYSPSLRAFZLG-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CC(=O)[C@H](C)CC(C)(C)C)CCC1	2015584061	BYISQADQOFLTFK-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCC1(C[C@@H]2C[C@@H](CC)CCC2=O)CCC1	2015596003	PCZRIXGIVNJJTM-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)C1(C)CCCC1	2016142636	AQBQNNREDYGSBL-GJZGRUSLSA-N	237.431	4.680	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCC[C@H](C)[C@H]1C	2016150740	XRKGFEPFLFBZDY-CAOSSQGBSA-N	237.431	4.536	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@]1(C)C[C@H]1C	2016464483	CJJUKFMKNRHCNT-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CC1(C(C)(C)C)CCC1	2017137928	DJQLHCXAAZKEKD-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)[C@H](CC1(C(C)(C)C)CCC1)NC	2017141940	STNSSRTYCMGHKC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@](CC)(CC(F)=C(C)C)C(C)C	2017465980	JLAILRPNYMNJTA-OAHLLOKOSA-N	243.410	4.692	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H](CCC)C(C)C	2017476259	VZHCKFSPXSOSSS-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCCC1CCC([C@](C)(O)C(C)=C(C)C)CC1	2017482057	ZZIZIMHMUGEQDY-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)CCC(C)C)CC1	2017726244	XTJCPXWNLVOPLI-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](CNC2(C)CCCCC2)CC1	2017732184	YZPSZUUZFUCNTJ-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@@H](CC)NC)CC1	2017733447	KIUUZBUZDVQPGZ-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@]2(C)CCC(C)(C)C2)C1	2017911682	GMKSDEIHWJDFLW-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@H](N)C2CCC(CC)CC2)CC1	2018922322	VAQBPNVVJRVJCN-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@@]2(O)CCCC[C@H]2C(C)(C)C)CC1	2018968469	UYAUUHTWCHFWSK-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)N(C)[C@@H](C)C1CCC(C)(C)CC1	2019387153	XMZPQYSGFRTSHX-KGLIPLIRSA-N	239.447	4.568	0	10	BJAE	
CC=C(CC)[C@@H](CC1CCCCCC1)NCC	2020969010	YEFUBTRVPLEOJD-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCCc1ccc([C@H](N)CCCCC)o1	2021522981	PQTGMEBTGJBVNW-CQSZACIVSA-N	237.387	4.592	0	10	BJAE	
Cc1ccc([C@H](C)NCCCC2(C)CC2)cc1C	2027808088	OBEJAOAAXUSQOV-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C(C)(C)C2CC2)cc1	2028101412	NHAFPVCPROPWFR-LRDDRELGSA-N	245.410	4.636	0	10	BJAE	
C[C@H](C[C@@H](N)c1cccc(C2CC2)c1)C(C)(C)C	2028553167	WLLBQVWTGNQXTJ-MLGOLLRUSA-N	245.410	4.636	0	10	BJAE	
CCC1(C[C@@H](N)c2ccc(C3CC3)cc2)CCC1	2029069546	MUVIJYXBAMYCCS-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C[C@H](C)C1CC1	2032159415	PHTSRLKCPAPBRS-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@H]2CC[C@@H](C)C2)cc1	2033401337	IQHUIMDEIVIVOM-WWGRRREGSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)[C@H]1CCC(C)(C)C1	2033401415	MOUSNRGDUZZTOL-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@]1(C)CN[C@H]1CCCC2(CCCC2)C1	2034363342	LTONDFHTWFEMMM-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)CC(C)(C)C1CC1	2035587443	DOSKQVDGVIKDJF-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC([C@@H](C[C@@H]2C=CCC2)NC)CC1	2035594778	VCZASGFKBVEOPI-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NC[C@]1(C[C@@H]2C=CCCC2)CC1(C)C	2035603881	XJNFDTRXXCTWAM-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)C[C@@H]3CCCC[C@@]3(C)C2)C1	2037589572	GDRJYTPPFKFXDK-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037694684	ODKUHGGLWAJFJM-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CNC(C)(C)C)(C[C@@H]2C=CCCC2)C1	2038873602	LXLGNRGYTMWOQP-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCCC[C@H]21)C1(C)CCCCC1	2039859741	OOHFMBWDMMDAKU-ZJIFWQFVSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCC=C(C)C)c1cc(C)c(C)cc1C	2045744814	WGPWFGDARIMEIS-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C[C@H]2CC23CCCCC3)C1	2047014530	CDTAJXLAAFJFGB-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2047356496	DEKKQIPDVJCHOK-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1(CCC2CCC2)CCC12CCC2	2047964277	FMGATLZRNYQUSQ-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CCC2)[C@H]1CCC[C@@H](C)C1	2049533438	RCZWRZCXLJADOM-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
NC1([C@H]2[C@H]3CCCCC[C@H]32)CCCCCCCC1	2049669310	IVIFKDLWUXLRQI-MUJYYYPQSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc2c(c1)NC1(CCCCCCCC1)O2	2049679711	YWCAILGVNIZFPL-UHFFFAOYSA-N	245.366	4.630	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)CC1(C)CCCC1	2049795523	TVGCXVRJNDMNLN-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H]1CCC2(CC2)C1	2049857622	NIIZEGJUSNEUHD-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC2(CC2)C1)CC1(C)CC1	2049862663	WNBKEYYVBNUUHC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC(C(=O)CC2CCC3(CC2)CC3)C1	2049935911	NUAQVTIVMHTAHR-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C=CC=CCCC[C@@H](NCC)c1ccc(C)cc1	2050439317	ARRRJYRTLOMAFG-QGZVFWFLSA-N	243.394	4.558	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)CC1CCC=CCC1	2053398950	ZORYVKNIFRPGHH-KRWDZBQOSA-N	249.442	4.668	0	10	BJAE	
CC(C)C1CCC(Nc2ccc(CF)cc2)CC1	2055676427	BDLLGDIDMADFEM-UHFFFAOYSA-N	249.373	4.783	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@H]1Nc1ccc(CF)cc1	2055677708	JVAYBQVDFKVEOI-SWLSCSKDSA-N	249.373	4.783	0	10	BJAE	
CC1=C[C@@H](N[C@@H](C)C2CCC(C(C)C)CC2)CC1	2055851599	MNVGFBXYRWHFDI-OTBWCIGPSA-N	249.442	4.536	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC2CC(C3CC3)C2)C1	2056666000	LCACCIWTVZHAMG-ADNDVJRGSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](O)[C@@H](c1ccccc1)C(C)C	2059224580	CILAGEVQHBPOOS-DLBZAZTESA-N	246.394	4.534	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H]1CCCC12CCC2	2059225786	RADPCYHBVQCZOO-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC1=CCC[C@@]1(N)C1=CC[C@H](C(C)(C)C)CC1	2061121470	GLKVVVKILOBQSQ-YOEHRIQHSA-N	247.426	4.587	0	10	BJAE	
C=C=CCCC1(CNC(C)C)CCC(C)(C)CC1	2061563771	SDRPLYXDCNBMGH-UHFFFAOYSA-N	249.442	4.692	0	10	BJAE	
C=C=CCC[C@H](NCC)[C@@H]1CCC[C@@H](CC)CC1	2061567098	UZBKSDYBABDRRI-ZACQAIPSSA-N	249.442	4.692	0	10	BJAE	
CCNCC1(CC[C@]23CCC[C@H]2C3)CCCCC1	2061616306	ZPILPUIDRJQIPA-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1CC(=C2CC2)C1	2061650004	DGUMHTIRPTXTSY-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)C)C1CC(=C2CCC2)C1	2061735509	ZSWXZZCCXRHGLY-CXAGYDPISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)C[C@H]3CC3(C)C)C2)C1	2063212612	DKSURBHVGBQWCS-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC12CCC(CC1)C2)C1CCCC1	2065338267	GABRXUGNPFCMMK-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)CC12CCC(CC1)C2	2065338960	WPCLVWIEYNFDDA-VFNXUKNFSA-N	249.442	4.501	0	10	BJAE	
CCOc1ccc(N[C@@H](CC)CCC(C)C)cc1	2065991229	VJHQTRWWGDULKK-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
CC(C)c1cccc([C@](C)(O)C2(C)CCCC2)c1	2067512318	VWIKQIZSJULBGA-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CC1([C@H](N)CC2C[C@H]3CC[C@@H]3C2)CCCCCC1	2068777117	FGJXYNOSSKKVKY-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)c1ccc(C(C)(C)C)cc1	2068822888	MVKQEKRWIZTHQR-CZUORRHYSA-N	247.426	4.666	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2070304107	LSSMMVRJDSNMGF-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
CCCC1([C@H](C[C@@]23CCC[C@@H]2C3)NCC)CCC1	2070874141	HBFLQVCONNXXPN-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
NC1(C[C@@H]2CC[C@@H]3C[C@@H]23)CCCCCCCCC1	2071052733	PWTDGHZMBXQXMF-OWCLPIDISA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(N(C)CC2(C(C)(C)C)CCC2)c1	2071921879	LWTPBUHHNQJJOG-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
Cc1ccc(F)cc1C(=O)C[C@H]1CC[C@H](C)CC1	2072875924	UDODVPQGGCMVMG-AULYBMBSSA-N	248.341	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@]23CCCC[C@H]2C3)C1	2074089110	AJIKWFFLKINILY-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@]23CCCC[C@H]2C3)C1	2074115341	XFQGXXYFQZQQCT-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCN([C@H]2CCC23CCCCC3)CC1	2075007239	UOORIJBHQBSRHH-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCc1ccc(N(C)C[C@H]2CC[C@H](C)CC2)cc1	2075292862	HVTRNMPHLJZDLK-KOMQPUFPSA-N	245.410	4.512	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@H]1C[C@@H]1C1CCCCC1	2079429421	WRLCGMFLUYAPCA-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CC1CC(C)(C(=O)C[C@H]2C[C@@H]2C2CCCCC2)C1	2079843612	ROCJJDPCCNHCSP-QJKCGZJTSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1=CC[C@H](CC)CC1	2081777209	BWQBLYNYWSQSEQ-RDJZCZTQSA-N	249.442	4.847	0	10	BJAE	
C[C@H](C[C@@H]1CC12CCCCC2)[C@H]1CC[C@H](N)CC1	2082133972	QCSZMCMCSRYQCU-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)[C@](C)(N)CC1CC2(C1)CC1(CCC1)C2	2083618413	ZBLOFEUJHMVKMT-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H](N[C@@H]2CCC23CCCCC3)C1(C)C	2084368465	PLIJMRJGKUDMTJ-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N[C@H]2CC(C)(C)C2(C)C)cc1C	2084372692	ZMZSLPUOLSLFIV-HNNXBMFYSA-N	245.410	4.794	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CCCCC2CC2)C1	2214551813	IADNUVDUYBKDLY-DOMZBBRYSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CCCCC2CC2)C1	2214569509	MZRPIRMNJFSWJR-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CC1(C)CC(C)(C)C1	2215428325	BLAOSUSOKWRGTN-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(C)(CC(=O)CC[C@H]2CC2(C)C)C1	2215441497	XOCHUUNWFNQHNP-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C(C)C)CCCCC1(C)C	2217127739	XAYFHVYJFLVZOP-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@H](CCCC(C)(C)C)C1CC1	2217155596	DGBDGPKTNVZGNR-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CCCC(C)C)N2	2217467929	KKDDSXGVDSLSDE-HNNXBMFYSA-N	231.383	4.548	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218321785	GVBQXLRDMOKSJE-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
C1CCC(CCN[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218333307	QLLHAJBBVRAGRR-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)[C@H]2CCCCC23CC3)C1	2221015045	FTYNOVBOVFJJHT-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1(C)CC(C)(C)C1)[C@H]1CC=CCC1	2221041770	UTVAZAFEGSJORA-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CN[C@H]([C@@H]1CCC[C@@H](C)C1)[C@@]1(C)CC=C(C)CC1	2221622206	HKNNRMRXIWYVMG-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@]1([C@H]2CCC2(C)C)CC=C(C)CC1	2221666734	JFIGOBNTYYDBDZ-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1=CC[C@H](CN[C@H]2CCC(C)(C)C[C@@H]2C)CC1	2221668727	QRCRJFSQZMEDFI-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)C[C@H]1CC12CC2	2223154912	NRZRFUCUWZPQBZ-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C)c1ccc(F)cc1C1CCCC1	2223265619	NOKSMTCVXXIFEH-GFCCVEGCSA-N	249.373	4.544	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CCCCC1CC1)N2	2224118578	BDKOKZAYOQOFDL-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC(C)(C)C(C)(C)C)C1	2246688026	RZBBWNAJQYIHOM-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](O)[C@H](C)C(C)(C)C)C1	2246691443	IBTKLGXRBSPXMM-LXTVHRRPSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](O)CC1CC2(CCCC2)C1	2246792046	YFKOGTPTAMTNND-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@H](N)CCCC[C@H]2C[C@@H]2C)CCCC1	2247126243	CHCPHFBNJGZLAL-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H]1CCC1(C)C)NCC	2247385513	GCBUSKIKRSWSRK-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C[C@@H]1CCC1(C)C	2247446874	XAUHFTXLXSVQTP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](N)CC[C@@H]1CCCC12CC2	2247620752	VPXPWRWRPKXUOP-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC(=O)CCc1cc(C)c2sccc2c1	2248568606	NDILUVNMHWZHKG-UHFFFAOYSA-N	246.375	4.512	0	10	BJAE	
CCC[C@H](CC)[C@H](CC(C(C)C)C(C)C)NC	2250360770	IOIHMBVGIFJIAK-HOCLYGCPSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](CC)CNC1(C2CCCCC2)CC1	2250382226	CVMGSIZOTXVZRG-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@H]1C=CCCC1	2250490536	AROHEXMHTPEKIK-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C(F)F)[C@@H]1CCCCCCCCC1=O	2253079457	NQDOZXRISMISIL-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@@H]1NCC[C@H]1CCCCC12CC2	2253892055	YXZFCLXORKORKH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2[C@H]3CCCC[C@H]32)C1	2253934113	GAJYYFDQYYKBEE-WVCIDPQESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@@H]2CC23CCCC3)C1	2253939934	WQQNWWNFVJNVPY-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@@H]2CC23CCCCC3)C1	2253964207	UCVZZVOFVHWMPZ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@@H]2CCC23CCC3)CC1	2255014160	PIQNZNXXNRQKLG-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](C[C@H]2CCCC23CC3)NC)CC1	2255239164	CIOVWTPYOOUDLG-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](CC[C@H]2CCCC23CC3)C1=O	2255257798	XTGHEEMNZSWFHK-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(CN)CCC12CCC2	2257281515	IIZYJXQUZYPSFS-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)[C@@H]1CC12CCCC2	2257282505	KIDIOLFUCLTUOJ-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(NCCC2(F)CCC2)c1	2257908030	UUWNZGVWRLHJPH-UHFFFAOYSA-N	249.373	4.678	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]2CC(C)C)cc(C)c1C	2258231570	PLEIGXBOVMEIPU-DOTOQJQBSA-N	245.410	4.848	0	10	BJAE	
CCCCC1CC(N)(CC2CC3(CC(C)C3)C2)C1	2259570563	CEOPPBIORHZTMB-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(OC[C@]23CCCC[C@@H]2CC3)c1	2260577393	FIQLHSKDHRYSEV-NVXWUHKLSA-N	244.378	4.653	0	10	BJAE	
Cc1cccc2c1ccn2C[C@]12CCC[C@H]1CC2	2260578786	NJCVAMXXIZCIRE-WMLDXEAASA-N	239.362	4.530	0	10	BJAE	
CC1(C)CC(N)(C[C@@]23CCC[C@@H]2CC3)CC1(C)C	2260648591	SKPLHXZIHSZYNU-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(CN)(C[C@]23CCC[C@H]2CC3)CC1	2260650461	DMJKNGIOMRMZOF-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CC)[C@@H](CC)CCC	2298646235	PWHHQQQREFGKDM-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@](C)(F)c1cccc(N)c1	2300678047	GRRWRGHOLJYMCS-OAHLLOKOSA-N	237.362	4.670	0	10	BJAE	
CCCC[C@](C)(CC=C(C)CC)CNCCC	2300860298	FYLIIWLIEWDAKT-MRXNPFEDSA-N	239.447	4.929	0	10	BJAE	
CC(=CCC[C@@H](O)C(C)(C)C)CCCC(C)C	2300870503	VCMVDIIVIBCWBQ-OAHLLOKOSA-N	240.431	4.946	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CC=C(C)CC)NCC	2300907526	TZNXDIPYDCZZGV-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CC(C)CC(=O)CC[C@H]1C[C@H]2CCC[C@H]1CC2	2301146098	VRASPMIFIUDUMT-KKUMJFAQSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)CCC1CCCCC1	2301845062	VPBMDORGSCAFJH-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCC1(C[C@H](N)CCC2=CCCCC2)CCC1	2301935678	OTMVIIARBSPPLX-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@@H]2CCC[C@H]3C[C@@H]32)n1	2302258402	MQPJKQXGLSWZQM-WHOHXGKFSA-N	247.407	4.560	0	10	BJAE	
CCCC[C@@H](C[C@@H]1CC[C@H]1C(C)(C)C)NCC	2303487801	QGDCVHACLXIZSF-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2ccc(Cl)cc2)CC1	2303598139	YMSNBZDEIJJXCX-ZDUSSCGKSA-N	249.785	4.888	0	10	BJAE	
CCC1(CNc2cccc(C(C)C)c2F)CC1	2307559244	LPOLYRGKADVWTN-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
CCCCCCc1nc([C@]23CCC[C@@H]2C3)cs1	2307702226	UZEOOJQJODMBMQ-DOMZBBRYSA-N	249.423	4.708	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cccc(C)c1C	2307893223	HNKKQUJGCVLTGX-GOEBONIOSA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CC(C)(C)CC[C@H]1NC	2307901722	IYOFNULDZOYWJQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CC[C@H]1C(C)(C)C	2307902358	KSOMACJWWYEJMQ-XQLPTFJDSA-N	240.431	4.636	0	10	BJAE	
C=CC=CCCC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309180804	KUVNOGHAZKEHCN-JYJNAYRXSA-N	246.394	4.684	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21)C1CC1	2309180825	LAQADWRBGBFEMB-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CN[C@H]([C@H](C)CC1CCC1)[C@]1(C)CC=C(C)CC1	2313693888	BCWNTEUDJVXXKB-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN[C@@H]1CCC[C@@H](CC(C)C)C1)C1CC1	2315267167	WXVCARYUMANJOG-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@@]1(C)CC=CCC1	2316887205	VQBHALGZUZZCPN-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
Fc1ccc(CC[C@H]2C=CCCC2)c(C2CC2)c1	2317068972	OBFZZJRMUBQGRU-ZDUSSCGKSA-N	244.353	4.992	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317159850	XNNQTXZHCHZWFM-UTSKFRMZSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CC[C@H]2C[C@@H]1C2	2317916367	YLVYTAUIRPXSHG-ZOWXZIJZSA-N	247.357	4.550	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@H]1[C@@H](C)[C@H]1C	2317973065	BZQJPDJAAPOREB-YALNPMBYSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H]1C[C@H](C)CC[C@@H]1CCCC1=CCCCC1	2318537526	FUILPNRTBUNGSJ-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@@H](N)[C@H](CCCC2=CCCCC2)CC1	2318538646	JQUJZYMUZHBVSC-IAGOWNOFSA-N	247.426	4.731	0	10	BJAE	
Cc1cccc(NCCCC2=CCCCC2)c1F	2318552491	YOAQRTXMUZNJDR-UHFFFAOYSA-N	247.357	4.827	0	10	BJAE	
C[C@@]1([C@H](O)CCCC2=CCCCC2)CC=CCC1	2318593927	ZRNBEIKJOTUMSP-IAGOWNOFSA-N	248.410	4.764	0	10	BJAE	
NC1(CC[C@@H]2CC[C@@H]2C2CC2)CCCCCCC1	2319742356	WDZIKMSVCLTPGL-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(OC[C@H]2CCC(C)=C(C)C2)c1	2320389252	YPMHBCDVGVPWJP-INIZCTEOSA-N	244.378	4.764	0	10	BJAE	
CC1=C(C)C[C@H](CNC2C[C@H](C)C[C@@H](C)C2)CC1	2320415257	YUQYIHWETIJRBU-XJKCOSOUSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2CCC(C)CC2)CC1	2320416340	JMYRCYOURMWNGO-NRAUKZCXSA-N	248.410	4.908	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)CCCC(C)C)c1	2327699921	VCSKHWFKIFXKER-QGZVFWFLSA-N	248.410	4.978	0	10	BJAE	
CCC[C@H](C)[C@@H](N)c1c(C)c(C)c(C)c(C)c1C	19985690	AHJLLHDBLGNSPF-DYZYQPBXSA-N	247.426	4.665	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@H]2C)c(Cl)c1	20471329	HLDYQEYUFGRJGK-DGCLKSJQSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccc(Cl)cc2)cc1	20552788	MMXHWNQJNKRTNL-LBPRGKRZSA-N	245.753	4.822	0	10	BJAE	
Cc1ccc([C@H](C)NC2CCC(C)CC2)cc1C	21033533	NTPIUWCJUYSUOI-VXKCQOAXSA-N	245.410	4.533	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccc3sccc3c2)C1	36975861	ZVAJQYAJSSSOQG-DGCLKSJQSA-N	245.391	4.892	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(CCC)cc1	37231303	KRBWSWQLHLAXDM-ZDUSSCGKSA-N	219.372	4.630	0	10	BJAE	
CCCCCC[C@H](C)O[C@@H](C)c1cccc(N)c1	40908485	QLAPWEUYUDXOTA-KBPBESRZSA-N	249.398	4.705	0	10	BJAE	
CCCC[C@@H](CC)CC1(CN)CCCCC1	71127352	DEVYLDNHXXWGEC-CQSZACIVSA-N	225.420	4.502	0	10	BJAE	
CCC1CCC(C[C@H](C)CNC(C)(C)C)CC1	85083036	OLNBKPNOGHMYFY-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@H](NCC)c2ccco2)CC1	87963888	BIVHHZGPCUXTOV-XUJLQICISA-N	249.398	4.537	0	10	BJAE	
CCc1cccc(C)c1NC[C@H]1CCC[C@H](C)C1	89607914	LWGURPQPKYFMFX-ZFWWWQNUSA-N	245.410	4.796	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1cc(C)cc(F)c1	91510065	GICACWVGEXWTTL-IUODEOHRSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@@H](CNC(C)(C)C)c1cccc(C)c1	93126513	QVXILCUJYNWNHR-INIZCTEOSA-N	247.426	4.657	0	10	BJAE	
C/C=C\[C@@H](C)Cc1c(Cl)cccc1Cl	107501749	GYMBOOPGKNDLBB-AZVKUDOFSA-N	229.150	4.748	0	10	BJAE	
CN[C@H](c1ccccc1)[C@H](C)CC1CCCCC1	128426893	FZVPEKQIYOHYFS-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)[C@@H](C)CNC1CC1	133149673	QUGXNCULNGBWNB-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H]1CCCC[C@@H]1CNCC(C)C	155687212	TUKDHPLVJNFMKS-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@H](C)c1ccc(C)cc1	159888713	NBMXUTSYLAHBBI-VYDXJSESSA-N	245.410	4.614	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)c1ccc(C)c(C)c1	162204633	KSVVMVIMABMDKG-SUMWQHHRSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1cc2ccccc2s1	162496664	MXEZDSXVNFUPFM-YPMHNXCESA-N	247.407	4.598	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)[C@H]2CCCCC2(C)C)c1	226807513	SGEPXYSZHQGMJW-HZPDHXFCSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@@H](O)C1CCCCCC1	226930215	PVRKHMGKQKODDP-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H](C)C2CCCC2)c1	232229062	BVESHZIADDKQNV-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(OC(C)C)cc1C	233284253	DPSFJUUHSZAXQS-CQSZACIVSA-N	249.398	4.773	0	10	BJAE	
FC(F)(F)c1cc2ccc(Cl)cc2s1	238587096	DKVHRKHRMRMQSA-UHFFFAOYSA-N	236.645	4.574	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2CCCCC2(C)C)CC1	252103160	GOVOIXLFBKAVDH-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)[C@@](C)(O)c1cc2ccccc2s1	300470916	WFFMPIUPIQAJRI-IAQYHMDHSA-N	248.391	4.545	0	10	BJAE	
Cc1c(Cl)cccc1NCCCC(C)(C)C	300799404	DPVBTTNJWBRFTF-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CCC[C@H](CCC1CCCCC1)CNC1CC1	302249086	JXJBQPMEQDUXLA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)C1CCCCCC1	302304497	FEIXJNZZTITHQR-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CSc1c(Cl)ccc2c(C)csc12	306640821	KXKYALRWQGAZRV-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CSc1csc2ccc(C)c(Cl)c12	307120587	IRORWQPJVJKSBT-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CCC1CC1)NCC	308044892	FSOMSQPCGYAWTG-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)CC1(O)CCC(C(C)C)CC1	309995654	UEXVECOGFHVUEN-QQFBHYJXSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC[C@H](C)C1CCCCC1)NCC	310475595	KBHYSJWGVVONDV-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C[C@H](N)C(C)(C)C(C)(C)C)CC1	310525678	XWYVGBFFUMDLHR-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
CCCOc1ccc2c(ccn2[C@H](C)CCC)c1	310605738	KVHDRXKFARETRB-CYBMUJFWSA-N	245.366	4.791	0	10	BJAE	
CCCC[C@H](CC)c1nc2c([nH]1)CC[C@H](C)[C@@H]2C	310943552	OXFOLPLAYRZPTP-AVGNSLFASA-N	248.414	4.779	0	10	BJAE	
CN[C@@H](CC1(C)CCC1)c1ccc(C(C)C)cc1	310969733	PFEACHSBLBZNGP-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCC[C@H](Nc1ccc(C)cc1)C1CCCC1	313420114	ZEZARYOJOUWEFZ-INIZCTEOSA-N	231.383	4.766	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](CCC)C1CCCC1	313450078	PSTHBIAHBNWQIS-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCNC[C@@]1(CCC2=CCCCC2)CCC[C@H]1C	317791978	VARKQZGUSSVMLY-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CC[C@H](NCCCCCCC(C)C)[C@H]1C[C@@H]1C	321123015	SGHPIBYZWWFNIO-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@H](CC)C1CCCCC1)C1CCC1	322678063	JDTLKZJHIMLDOM-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
O=C(CC/C=C\c1ccccc1)C1CCCCC1	323754787	FEKYEYABVVKJOQ-XFFZJAGNSA-N	242.362	4.629	0	10	BJAE	
Cc1ccc(F)c(C(=O)CC2CCC(C)CC2)c1	380921395	DAXCOVFOBFCYFL-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
Cc1ccsc1C(=O)CCCCCC(C)C	383116199	IQBHFXDHYGXMGK-UHFFFAOYSA-N	238.396	4.846	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CC[C@H](CC)CC1	383203237	VQLSCCBZPOILHE-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1[C@H](CO)CCCCCC(C)C	383465651	BNSVGNPPPQGCOC-INIZCTEOSA-N	248.410	4.677	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]([C@@H](C)CC(C)C)C1	383693082	QWZPHTFDXYHQJW-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1NCCC1=CCCCC1	385265075	ZBQGRJHDHZYESX-UHFFFAOYSA-N	243.394	4.942	0	10	BJAE	
CCc1ccccc1[C@H](C[C@H](C)C(C)(C)C)NC	386679273	XYRHYOSHYVOONS-BBRMVZONSA-N	247.426	4.582	0	10	BJAE	
CCOc1cc(Cl)cc2sc(CC)cc12	396183727	ALGHVNMYZZEHER-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
COc1cc(C(F)F)c(Cl)c2ccsc12	396294342	RLGLRHFFBOWNFL-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
C[C@@H](CCC(C)(C)C1CC1)[C@H](O)c1ccccc1	405981348	ZWJYYPVZSUPTJO-BBRMVZONSA-N	246.394	4.573	0	10	BJAE	
CC(C)C1(CNc2cccc3ccsc23)CC1	687536382	NBSMSRASAVAZLT-UHFFFAOYSA-N	245.391	4.749	0	10	BJAE	
Cc1cc(Cl)ccc1OCCCC1CCC1	688867815	KBDNQHTWIXMKMI-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1ccc(C)cc1	691143841	ZNENGARQZUVPPA-ZBFHGGJFSA-N	231.383	4.766	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1cccc(C(C)(C)C)c1	691699082	MYKIRSAXGHZAET-BBRMVZONSA-N	248.410	4.700	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC2(CC2)C1)[C@H]1CC1(C)C	695724166	ONTOKKAYKOMMMC-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(CNC(C)C)C1CC1	696680837	ZTBFTGSQEPTNFL-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCCC)C1(C(C)C)CC1	697558267	KGAUWVCTGMNHFR-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@H](N)c1cc2ccccc2s1	697760133	YIXLZVNCZVFBCV-ZDUSSCGKSA-N	245.391	4.648	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H]1C=CCC1	698339649	BSFOJFAIDKFRLN-MRXNPFEDSA-N	237.431	4.824	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@]1(C)C[C@@H]1C	704315044	UHSINVMXXCHACJ-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)[C@](C)(N)c1cc2ccccc2s1	704505942	FFYBSTLCGBTXDK-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CC(C)C(N)(CC1CCC(C)(C)CC1)C(C)C	704830960	FBWGOLKUDSXMBM-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](NCC[C@H]1CC=CCC1)C1CCCC1	706755492	QAXIBIHLMBMECC-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)c1ccsc1	707674497	UHOBUHGKIGURLO-CQSZACIVSA-N	239.428	4.529	0	10	BJAE	
CCC[C@](N)(CC1CCC(C)CC1)C1CCC1	707859100	NCSCVMTXLFPFTL-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CCC[C@@H]32)c(Cl)c1	707861547	ROOUIYWYAOBYCF-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
CC[C@](N)(C[C@H](C)CC(C)(C)C)C1CCCC1	709158625	CQZDZGOJXFEJEN-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H](C)CC(C)C	709261811	RWTWJNTXJZRRFP-CYBMUJFWSA-N	232.367	4.504	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C12CCC(CC1)CC2	710168162	AOFZEPFQALNJOO-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@]12CCCC[C@@H]1C2	710468705	MFXQBEAFAXPVBF-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@]12CCCC[C@H]1C2	710482497	FLEBPOGTQNUZPH-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCC12CCCC2)C(C)(C)C	710721926	AYUOQWQTXKMKLE-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CO)C[C@H](C)C(C)(C)C	710745240	LURNAUKFXWOVGB-ZFWWWQNUSA-N	228.420	4.638	0	10	BJAE	
CCC1(C(=O)C[C@H](C)C(C)(C)C)CCCC1	711193020	QACOQISUSZALBW-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C[C@@H](O)C1=CCCCCC1)C(C)(C)C	711212613	VKVBATCJKLAVRK-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2C[C@@H]3CCCC[C@@H]32)c(C)c1	712392926	AIBWUAKNELVKMR-HRCADAONSA-N	243.394	4.602	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1C[C@@H]2CCCC[C@@H]21	712500314	CHNXWESVCHOINF-WHOFXGATSA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@@H]1CCCC2(CC2)C1	713105509	GFAOFQQJPMVTHY-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCC[C@](N)(CC(C)(C)C(C)C)C(C)(C)C	713193931	MIZUVLPSPYOESD-HNNXBMFYSA-N	227.436	4.602	0	10	BJAE	
C=C/C=C\CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	713672075	DJINSGDQFMRHKF-LTXMXCJLSA-N	246.394	4.684	0	10	BJAE	
C=C/C=C/CCCC[C@H](NCCC)C(C)(C)C	713724314	BSTDGGADRNCWPC-HVHJFMEUSA-N	237.431	4.703	0	10	BJAE	
CCCCCC(C)(C)CNC[C@]1(C)CC1(C)C	717150111	YAIKNDKTYSMHND-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](NCC2CC=CC2)CC1	717342844	RBZCHIWSAWFIPS-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)Sc1ccccc1C	1643656102	HVWCSQDXODFSGO-CMPLNLGQSA-N	208.370	4.522	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@@H](C)C(C)C)cc1Cl	1901622081	ASQGBZRLBLXWBV-RYUDHWBXSA-N	239.790	4.741	0	10	BJAE	
C=CC=CCC[C@]1(CNCC)CCC[C@@H](CC)C1	1911794444	LTCMPRPUKYDCND-SJORKVTESA-N	249.442	4.705	0	10	BJAE	
CCCNC[C@@]1(CCC2CCCCC2)C=CCC1	1916378673	ZQNZKZYDXMSDJI-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC(C)(C)[C@H](N[C@@H]1CCC2(CCCC2)C1)C1CC1	1916444892	MNNANFYNJZOLRQ-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@](O)(CC)CCC[C@@H]1CC1(C)C	1919538925	QJOHBWUYOXKWJO-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCc1ccc([C@@](C)(O)C[C@@H](C)CCC)cc1	1920027978	KNMVNGCKTUYGTG-YOEHRIQHSA-N	248.410	4.673	0	10	BJAE	
CNC[C@@](C)(CCCC(C)(C)C)C1CCCC1	1924134706	FEVMESFPTSLMPS-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C[C@@H]1C=CCCCC1)C(=O)c1ccccc1	1925763789	RQQFJVULNVQFFF-HUUCEWRRSA-N	242.362	4.642	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@H](C)CC(C)C	1940879301	WRKZZSMFMDOYJA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCCCCC1CC1)C[C@H]1CCCCN1	1941591400	KULBBBTWYOHUCU-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(=O)CC(C)(C)C(F)F)CC(C)(C)C	1941602792	RKSKHMVTKXKLBM-JTQLQIEISA-N	248.357	4.699	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CCCC1CCC1	1941689387	GIXZWHMXBHDQLK-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CC1CCC=CCC1	1941794164	WCZZJORUMSCALB-JKSUJKDBSA-N	237.431	4.523	0	10	BJAE	
Cc1c(Cl)cccc1NC1CC(C2CCC2)C1	1942146307	SFMVDKMLLPTDMU-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1CCC[C@@H]1C)NCC	1944819562	LGHLZAZMTATTPM-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@H]1C1CC1	1945002813	PXTKKJMXRUENPJ-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1cccc2sccc12	1945948100	SUZRNKGQNFVFTN-NSHDSACASA-N	246.375	4.766	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@@H]2CCCC[C@@H]2C1=O	1946357386	PMKYIQSJEKMZEF-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@H](N)CCCCCC(C)C)CCC1	1948988221	JVSUCXCNUOGPOU-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CCCC1(C)CC1	1949052126	AXCTVVCKUQJFCE-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CC2CCCCC2)CC1	1950930158	MYPOJYLGBSOTKI-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1C[C@@H](NC[C@]2(C)C=CCCC2)CC(C)(C)C1	1966037574	JVYJYPZHTMMWRE-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC1(CN(C)[C@@H]2C=CCCCCC2)CC1	1966525038	DRGJFIPLSLYRDH-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
CC1CC(C)(COc2ccc(C(C)(C)C)cc2)C1	1968299666	XMHSBJICNAQFOL-UHFFFAOYSA-N	246.394	4.799	0	10	BJAE	
Cc1ccc(OC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c(C)c1	1968397183	XEUGJSGCVWYAND-FOLVSLTJSA-N	246.394	4.755	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)CCCC(C)(C)C	1968436887	PTIXZSOWJMLZBS-AWEZNQCLSA-N	233.399	4.506	0	10	BJAE	
CCC1CCC(N[C@@H](C)C2CC3(CCC3)C2)CC1	1968674502	VTZMBNIROUUUCF-HLIUYOAVSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(CN(C)C[C@H](C)CC)CC1	1969404606	WYUMZYZVVNMOBS-QQFBHYJXSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)CCC1CC1	1975835938	JYMQSPUJUMEIFP-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)c1nc(Cl)cc(C(C)C)n1	1978645405	NMAXUEZDONGKIJ-SNVBAGLBSA-N	240.778	4.547	0	10	BJAE	
CCC[C@](C)(CCC=C(C)C)CNC(C)C	1978649101	SSCBLUZDUDZXHL-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H](C)C1CCCCC1	1984571705	WNQFHKXGSSACHT-OOPCZODUSA-N	222.372	4.518	0	10	BJAE	
CC(=O)[C@@H](CCC(C(C)C)C(C)C)C(C)C	1988297755	PHVQGFYNRXNEOU-HNNXBMFYSA-N	226.404	4.556	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CCC1CCCCC1	1989803565	QECRRONMUCMDFZ-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC=CCCCCc1cc(C)cc(C)c1C	1994002097	ZVZQDWYYYFVKHH-UHFFFAOYSA-N	216.368	4.901	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@](C)(N)CC2CCCCC2)C1	1996250572	QFCPJXDPLNQUNQ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C1CCC(C)(C)CC1)[C@H](N)CC(C)C	1996593895	IHDBDNAOKVVKNH-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CCCC1([C@@H](O)[C@@H]2CCCC(C)(C)C2)CCC1	2000023808	KFLDUZGGVAGSEA-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@H]2CCCC(C)(C)C2)C1	2000062660	NTTJOPCZWYEAFE-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C1(N)CCC2(CCCCC2)CC1	2000284095	XCBGQCYJEDGRQC-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](C1CCCC1)C1(CCC)CCC1	2000387973	PILFFICHTOVXDS-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@@H]1CC12CCCC2	2001250152	JZCBUECFXXRCKZ-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC(=O)CC1[C@@H]2CCCCC[C@@H]12	2002219333	GLLNREUMQYSMCU-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C(=O)CC[C@]1(C)CCCCC1(F)F	2002588264	MLLXLEMJNXDQGG-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(O)CCC2CCCC2)C1	2002997365	CCVFZEJMZBULAI-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C[C@@H]1CCC2(CC2)C1	2003189437	BZMCGLKOYZRIJS-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@@H]1CCCC2(CC2)C1	2003207217	CMIURINJDMBVNX-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CC[C@H](CC)C1	2004234998	VXRKIWYASWESHW-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]1NCC1(C)CCCCCCC1	2004937553	QMRLWAHAYFTTOY-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)C1(C)CCC(C)CC1	2007689060	OCVLEZUSXOVFKQ-LVDPKSTMSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@H](N)C1(C)CCC(C)(C)CC1	2007699162	WHOQGXGNJKHNGO-AWEZNQCLSA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@H](N)[C@]1(C)CC[C@H](C)C1(C)C	2009626265	FCCKWNPTMOBTMI-DZKIICNBSA-N	237.431	4.523	0	10	BJAE	
CCCCC1CC(N)(C[C@@H]2CCC[C@@H](C)C2)C1	2009788785	DYMJFAOZQLCZPA-WXLSXGNJSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CC2(CCN[C@@H]2CCCC)C1	2009821115	WHDVHUMSPOTQMM-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)C1=CCC(C)(C)CC1	2010770273	XKASYLCEHPGFGH-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H]1C[C@H](CC(CC)CC)CC(C)(C)C1	2012053248	BYKDLRLTSDDUQX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)CC(N)(C1CCCC1)C1CCCC1	2013224061	UVMKFEHNTYGWST-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCCC(=O)[C@@]1(C)CCCC(F)(F)C1	2014956992	JKVOKFKJXCSJAV-OOPCZODUSA-N	244.325	4.518	0	10	BJAE	
CC(C)C1(C[C@@](C)(N)C2CCCCC2)CCC1	2017141780	RAYZMJKNPDBEBA-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@]2(N)CC(C)(C)CC[C@H]2C)CC1	2018985743	SQXDYQGXUQUFON-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)N(C)[C@H](C)C1CCC(C)(C)CC1	2019304954	BXXTYKAGFBIQET-UONOGXRCSA-N	239.447	4.712	0	10	BJAE	
CCc1c(C)nc2c(C3CC3)cccc2c1Cl	2021026997	MFUVWAKPZSEZHD-UHFFFAOYSA-N	245.753	4.636	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1Nc1cccc(Cl)c1	2021072554	AQRQPCPBYDTOIL-MJVIPROJSA-N	249.785	4.577	0	10	BJAE	
C[C@]1(C(F)(F)F)C[C@H]1CC1CC(=C2CCC2)C1	2021958233	REEKWMLHGROZII-OLZOCXBDSA-N	244.300	4.856	0	10	BJAE	
C[C@H](C[C@@H](C)[C@H]1CC[C@H](N)CC1)CC(C)(C)C	2023551564	UVYUXEIEOGDEEV-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CCc1cccc2cc([C@@H]3CCC3(C)C)[nH]c12	2024287961	WYQSUDWAGAQCAS-ZDUSSCGKSA-N	227.351	4.634	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](NC2CCCCCCC2)C1	2025572967	IUMMIDXBZPCVSX-ZBFHGGJFSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@H]1CC1(C)C)NC	2026168524	AORGVDDQYKAXDI-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)Cc1csc([C@@H]2C[C@@H]3CCCC[C@@H]32)n1	2026523888	DHVWQHZQDPYQIV-FPMFFAJLSA-N	249.423	4.635	0	10	BJAE	
CC[C@H](C(=O)c1ccc2ccccc2c1)C(C)C	2028256557	ARAZWUNGCINSFW-INIZCTEOSA-N	240.346	4.705	0	10	BJAE	
CCc1ccc([C@H](N)[C@@H](CC(C)C)C(C)C)cc1	2028266213	UPLCOGJJIHQCBZ-IRXDYDNUSA-N	247.426	4.567	0	10	BJAE	
CCCN[C@@H](c1ccco1)C(C)(C)C1CCCC1	2032346139	KDENIWKEPTYRLO-HNNXBMFYSA-N	249.398	4.537	0	10	BJAE	
CCC[C@H]1CNCCC1=CC1CCC(C)(C)CC1	2032536868	HQOPMJHSNULCAL-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNC2(C3CCCC3)CCC2)C1	2033048206	HWYFSTARTAGPKK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)c1cccc(C)c1	2035400172	LYRVFEZAEWHRHW-ZMSDIMECSA-N	245.410	4.614	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)c1cccc(C(C)C)c1	2035416274	ZFQOKTWICAWLGG-DOTOQJQBSA-N	245.410	4.564	0	10	BJAE	
CCC/C=C/CNc1cccc(O[C@H](C)CC)c1	2036762498	BFHSYOADJIFMIE-HSBSLETESA-N	247.382	4.632	0	10	BJAE	
NC1(C2=CCCCCC2)C[C@@H]2CCCCC[C@H]2C1	2037100976	NMLQGMSRGZHXDL-GJZGRUSLSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC[C@H]1C[C@@H]1C1CC1	2037128589	QXXYHJUUXTZCSH-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CCCC1(C)CC1)c1cccc(C)c1	2037177655	AKZBJWPDTDMGHE-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@@]23CCCC[C@H]2CCC3)C1	2037682052	KAINFJVXPJKTBF-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C[C@@H](N)[C@@H]1CCC2(CCCC2)C1)C1CC1	2037706979	ZMJJRZMQLJKZIV-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC12CC2)CC1CCCC1	2038114625	LVSXDYDAHSRKOS-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CC[C@](C)(O)c1ccccc1	2038167877	STLUXCGOAQGYKM-RDJZCZTQSA-N	248.410	4.891	0	10	BJAE	
CC(C)(CC[C@H](N)[C@H]1CC12CCCCC2)C1CC1	2039090259	ASDMGZYZJOHJIL-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)CC12CCC(CC1)C2	2039416967	APYIHGNRHUORAC-UQPPLGOBSA-N	246.394	4.662	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CC1(C)CCCCC1	2039439658	ZKWKWKFKNGRXTF-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
CCC1(C(=O)c2ccc(C(C)(C)C)cc2)CCC1	2039728152	DPVQSKABXGSHCQ-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]1C1CCCC1)C1(C)CCCCC1	2039864321	ZBKPNCPSPFCQEI-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
CN(C1CCCCCC1)[C@H]1CCCC2(CCC2)C1	2041294517	XKAPYXNGQQWLFL-INIZCTEOSA-N	249.442	4.754	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1N[C@H](C)c1ccoc1	2043062864	RDXGGTMZAQWJOB-BMFZPTHFSA-N	249.398	4.535	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCC=CCCC2)CC1=O	2045309745	JHYJGFVALVLCIK-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CCC(CC)(CCC=Cc1ccccc1)CNC	2045980349	IIAXBVXQCYELPH-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
C1CCCC(CN[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2046489109	WCCREMRCADGFDA-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CN(C1CCCCCCCC1)[C@H]1C[C@H]2CC[C@H]1C2	2049784190	HPSJBBXYBSVCBO-ZOBUZTSGSA-N	249.442	4.610	0	10	BJAE	
CC(C)=C(C)CCN(C)C1C2CCCC1CCC2	2049977430	SQIJVFLUYSQHCI-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCCCCCC(=O)c1ccc(C(C)(C)C)nc1	2051047932	BCPNEDRDXKOBEF-UHFFFAOYSA-N	247.382	4.532	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@H]1CCCCC12CC2	2053355219	IOVFBBMZDSCPRB-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CNC[C@]1(C[C@@H]2C=CCCC2)CCCCC1(C)C	2053385168	QUBGXKKJVCITSX-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@@H]2CC=CCC2)[C@H]1C	2055622453	DHSOGSFXLUHWJU-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CC1CCC=CCC1	2056451049	NKLZCSRQIONHDO-HOTGVXAUSA-N	248.410	4.764	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CCC[C@@H]2C[C@@H]12	2057357675	MOWBNQPTIKUHBR-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CCC[C@@H]3C[C@@H]23)C1	2057362616	ZEXKSHBUKQJRSM-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2(C3CC3)CCCC2)C1	2057604651	UOODOUXPLXATEF-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC1(CC)CC(N(C)C[C@@H]2C=CCCCC2)C1	2058855944	CVUOKUNDSPZMHQ-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCCC(C)=C2C)C1	2059391804	HWHZAXLIOBLFCB-JCYILVPMSA-N	249.442	4.824	0	10	BJAE	
C=C=CCCN[C@@H](CCCCC)c1ccccc1	2059466711	KMYSEWAOJKLQBV-KRWDZBQOSA-N	243.394	4.629	0	10	BJAE	
CC1(CC[C@H](N)C2=CC[C@@H](C(C)(C)C)CC2)CC1	2061079831	CJMUUTDFLFHTCR-CABCVRRESA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)C1(C)CCCC1	2061082152	UBMCUIVJPLZWND-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C1=CCC(C)(C)CC1	2061113952	TYOFEWDIIQBPHW-CXAGYDPISA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCCC1CC1)C1=CC[C@@H](CC)CC1	2061139870	IXXKYUZNPMQJIS-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C[C@]1(C2CC2)CCCN1)C1CCCCC1	2061512900	NXPLGMSMKZEXBM-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(NCC[C@@]23CCC[C@H]2C3)C1	2061572460	QUDWYDPRKGDMLE-ODZFXCKXSA-N	249.442	4.515	0	10	BJAE	
Cc1cc2ccccc2n1CC[C@]12CCC[C@H]1C2	2061603639	UXSIOEIIFFSNPQ-RDJZCZTQSA-N	239.362	4.530	0	10	BJAE	
OC1(CC2CC(=C3CC3)C2)CCCCCCCC1	2061685321	PODISXQHIFADNC-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC1CC(=C2CCC2)C1	2061722559	KXDDLBWOZNQUBQ-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)CC1CC(=C2CCC2)C1	2061727920	CXKCRWGNMRKRFJ-KBPBESRZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC1CC(=C2CCC2)C1)CC(C)C	2061739002	JCHORUZCXLBMFI-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC([C@@H](N)C23CCCC2CCC3)CC1	2063830370	MZACUHSJCZVHOP-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CC1(NCC23CCC(CC2)CC3)CCCCCC1	2065312618	JULSQHNMCOBEJK-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)(CCNC1CC1)CC12CCC(CC1)CC2	2065338018	DHUXVLYCKUIRIC-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)CC2CCCC2)n1	2066356866	MYLNFVUZWUUAIA-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CC[C@@]1(CCC1CCCC1)CNC1CC1	2068233302	MWTCICRRTNOQJJ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H]2CCC3(CC3)C2)CCC1	2069339455	JJXUSDYOINLTGY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C=C2CCNC[C@@H]2CC(C)C)CCC1	2069341655	HPJVMUIAGZTCCL-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CC1(C(C)C)CCC1	2071941937	YVJYSTCZPNAWAB-HRCADAONSA-N	249.442	4.523	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@@]3(C)C[C@H]32)CC1	2072805679	DYSYVWQBMPKZSK-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](CC)Nc1cccc(OCC)c1	2073347795	UHYPIXXXWDCBLD-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@]12CCCC[C@@H]1C2	2074115365	XLNFXEHMGZKISM-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@]2(CCN2[C@@H]2C=CCCCCC2)C1	2074800277	UFINZOSXJNBWOR-WBVHZDCISA-N	247.426	4.530	0	10	BJAE	
C1=C[C@@H](n2ccnc2C2CCCCC2)CCCC1	2075406975	FJMZDYLBPOPZEL-OAHLLOKOSA-N	244.382	4.602	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1CCCC2(CC2)C1	2077189813	LWVSQFXZNJLYAL-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1c(C)c(C)cc(C)c1C	2079471892	BWROPDSHGMPXLW-LSDHHAIUSA-N	244.378	4.539	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]1C1CCCCCC1)C1(C)CCC1	2079530672	RIOVIECRWVKVLY-CWRNSKLLSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C[C@H]1c2ccccc2NC[C@@H]1C	2079660010	JVXLFXKLGGGQDY-LQKXBSAESA-N	243.394	4.514	0	10	BJAE	
C[C@@H]1CC=CC[C@@]1(CN)C[C@@H]1CCCC(C)(C)C1	2082985797	JCIJVWFUONMRRO-INMHGKMJSA-N	249.442	4.524	0	10	BJAE	
CCc1cc(N[C@H]2CC(C)(C)C2(C)C)ccc1F	2084360398	CSHMASGWDAHDLK-AWEZNQCLSA-N	249.373	4.625	0	10	BJAE	
CCCCC[C@H](CC)Oc1cc(C)c(N)cc1C	2086284486	HSXLGQSRWPLOHY-AWEZNQCLSA-N	249.398	4.623	0	10	BJAE	
CCC(C)(C)CC(=O)c1sc(C)c(C)c1C	2211700539	HRIRHDIVRVQJRM-UHFFFAOYSA-N	238.396	4.682	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)c2scc(C)c2C)CC1	2213652732	YKCUBDLEDUZRER-OCCSQVGLSA-N	249.423	4.501	0	10	BJAE	
CC(C)=C(C)CCc1cc2ccccc2cn1	2214867342	LSVHCVAKKNWPES-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CC(C)Sc1ccccc1NCC[C@@H]1C[C@H]1C	2215311362	HKHGTOYOQXIRGC-CHWSQXEVSA-N	249.423	4.645	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)C[C@H](C)C(C)(C)C)CC1	2215815509	URUYTLIHBXSVSJ-LZWOXQAQSA-N	238.415	4.556	0	10	BJAE	
CC[C@@](N)(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218355432	BZFJZLSOVLILDW-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@@]1(CNC(C)(C)C)CC=CCC1	2220878020	LUHPHANJYJIJQL-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@]2(N)CCCCC2(C)C)CC2(CCC2)C1	2221042553	YCNRHQKVCAPNNV-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](C)(CN(C)CCC(C)=C(C)C)CC1	2221608162	WKWKQNXAFCGIEG-KRWDZBQOSA-N	249.442	4.801	0	10	BJAE	
CC1=CC[C@H](CNCCCCCCC2CC2)CC1	2221618102	FVBVWOFBLVVKDF-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCC2=CCCCC2)CC1	2221640846	PPAOMHSMFJQADY-KRWDZBQOSA-N	246.394	4.973	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C1(C)CCC(C)CC1	2221998613	XQGWFUNPFFJIFN-PDOTXMHQSA-N	246.394	4.553	0	10	BJAE	
CN([C@@H]1C=CCCC1)[C@H]1CCC[C@@H](C(C)(C)C)C1	2222269077	VBYJCRJFYYARBS-OAGGEKHMSA-N	249.442	4.632	0	10	BJAE	
Cc1cc([C@@H](N)CCCCCCCC2CC2)co1	2223109507	JZQXVZGVKONQBD-INIZCTEOSA-N	249.398	4.729	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cc(C(F)F)cs1	2244785947	SABULGBUTIPZHO-KWQFWETISA-N	247.354	4.512	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H](CC)CCC	2244796569	MSTXXKSTDVARCC-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC1CC(C)(C[C@@H](N)C2(C)CCCCCC2)C1	2246537981	ZDISQZYNNDLGBU-SHARSMKWSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@]1(N)CC[C@H]1CCC[C@@H](C)C1	2246724188	CKQZZQVTEOXDAN-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)CCC2CCC2)C1	2246724284	DGUPPUVPCCQVQP-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(N)(CC[C@@H]2CCC[C@H](C)C2)CC1	2246727614	NQAGBYYJJNEHDT-PYBGIAKNSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1csc(C2CC2)c1	2248053829	FTDDGUKFWJMPFN-AWEZNQCLSA-N	249.423	4.762	0	10	BJAE	
CCC[C@@H](CC)[C@H](CCCCC1CC1)NCC	2250353978	ZNCPQFGCGMJMBH-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CN[C@@H]1CCC[C@@H](CC)CC1	2250384809	OBYZHJAQCUVGBW-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)CCC(C)C	2250470223	XMACVJNGGZPTLR-JKSUJKDBSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCN[C@H](C)C1	2250472290	BFKGVRWBDZMGHL-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCC=C[C@@H]1O	2250479067	PMUAOIOEXQMCBX-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)[C@@H](C)C(C)C	2250482139	SEAGVWXZYHYGNB-PMPSAXMXSA-N	241.463	4.848	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@]12CCCC[C@@H]1CC2	2251213165	WICUGDJYSXBLQC-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@@]12CCCC[C@H]1CC2	2251225679	WSWWDARUHIXUDX-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCCCCC(=O)CC1CC(CC(C)(C)C)C1	2251581736	FXQOAEKONOSKFU-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)[C@@H](N)CC1CC(CC(C)(C)C)C1	2251584419	FCXHITWBETXNOR-PIMMBPRGSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CCc1ccc2cccc(C)c2n1	2253847103	ACXZCJNMJBHLBQ-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCCCC12CC2)[C@H]1C[C@H]1C	2253847820	BPTIEPPRXCHUAN-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@]1(N)CCCC12CCCC2	2254605927	DOXCBRKSLNJLOU-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(N)[C@H]2CC23CCC3)CC1	2256490429	RTXJTIKHIFSJRM-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C(C1CC1)C1CC1	2257256458	MJAWBOHDXLMNDA-DOMZBBRYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@]12CCCC[C@H]1CC2	2260513343	TZQXEBAOJVZNSM-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@@]12CCC[C@H]1CC2	2260588697	TXPSBRAQFJXXBP-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC(C)NCC1(C[C@]23CCCC[C@H]2CC3)CCC1	2260679163	PSURYZJTOAGAJI-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
FC1CC(CNc2cccc(C3CCCC3)c2)C1	2260726600	DHPANLKOCUKSLE-UHFFFAOYSA-N	247.357	4.504	0	10	BJAE	
CCc1cc(-c2cc(Cl)ccc2O)ccc1C	2299628066	XRMJMKFPOPSYJD-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
CCCC[C@H](CC)CC[C@H]1CCC[C@H](CC)N1	2300184601	IENZTSLPHWYUDJ-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC[Si](C)(C)C	2300504640	CFCYIRUZEHYTGW-UHFFFAOYSA-N	249.474	4.869	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H](C)C(C)(C)C	2300878583	AOWNLXPVTFYCTL-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CN[C@H]1CCC[C@H]1CC=C(C)CCCC(C)C	2300901660	LSCCKGQLZVHRTE-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)[C@H](CCCC1=CCCCC1)NC	2302360628	CRMLSRDBNLWPLP-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](O)CCC2CCCC2)C1	2302669488	FFSXGHPPURXGRK-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@@H]1CCC(C)(C)C1	2302905353	QHPBEYLXRCGEII-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@@H]1CCC(C)=C(C)C1	2303523499	KKJXHQQWLSEBFT-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CNC(C)C)C(C)(C)C	2307831230	IZATZARNQLSLNK-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(CN)C1CCCCC1	2307846953	YGBDNBQELDYKNQ-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C[C@H]1CCC12CCC2	2307892678	FLOXCVGDZFYJMT-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1(C)CC2(CCC2)C1	2307901339	YIZYBNGOGGMCGL-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@@H](C[C@@]12CCC[C@@H]1C2)NCCC	2310387532	YUGOEUSMTULHNW-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](NC[C@@H]1C[C@H]1CCC)c1ccccc1	2311516911	VRRXNSDRFAAXNJ-IXDOHACOSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C[C@@H]2CCC[C@H]2C)C=CCC1	2312612733	GIRQDLPEAWBWMD-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@H]1C[C@@H]2CC[C@H]1C2	2312879808	KKAPOOXVKSADGQ-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@@H](C)[C@H]1CCCC(C)(C)C1)C1CC1	2315273900	URFCOCAYBFKXRG-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@]12CCC[C@@H]1CC2	2316542546	QVVPFAKHVXDNEH-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCC1CCC1)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316874570	LXLNTBSOEZEOHX-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@@H](C)[C@@H](C)C(C)C	2317828010	OZVPBKNEIYLAJG-ZQIUZPCESA-N	247.426	4.738	0	10	BJAE	
C1=CC[C@@H](CCNCCCC2=CCCCC2)CC1	2318543270	YNTJISTVKQHOPE-QGZVFWFLSA-N	247.426	4.603	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CN)CCCC1=CCCCC1	2318592369	IHQGFUDQAUFSIS-RDJZCZTQSA-N	249.442	4.812	0	10	BJAE	
CC1(C)CC(CC(=O)CC[C@H]2CC[C@H]2C2CC2)C1	2319698476	YAKSAAUBNYKQIQ-HOCLYGCPSA-N	248.410	4.598	0	10	BJAE	
O=C(CC[C@H]1CC[C@H]1C1CC1)C1CCCCCC1	2319731951	XNKSCKUVQFUWAR-ZBFHGGJFSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC(=O)C1(C2CCC2)CC1	2320259210	RVZWFCUDMNZLBZ-JSGCOSHPSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@](CNC2CC2)(CC(C)(C)C)CC1	2320267213	CIVGDSLTJYBQEP-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)C[C@H](C)CC[C@H]2C)CC1	2320328493	PUWJOZGMVXNVTC-BASLNEPJSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@H]2C[C@@H]2CC(C)C)CC1	2320396801	DYXGCSIGYGMZJV-TWMKSMIVSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCC(C)=C(C)C2)CC1	2320415163	YCROAGFGSLFODW-ZACQAIPSSA-N	249.442	4.824	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)C[C@H]3CC[C@H](C3)C2)C1	2321603990	XOAWTMXPSHUVRZ-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)[C@@H]2CCC3(CC3)C2)C1	2321634530	SQBMZKJNZHSTFH-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCCCCCNc1cc(Cl)cc(Cl)c1	20359122	AZUQQTLWELHBCU-UHFFFAOYSA-N	246.181	4.986	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCCC[C@H]2C)CC1	20553960	JYSTXFSMZSLZAM-PRLABOORSA-N	237.431	4.514	0	10	BJAE	
c1ccc2c(-c3coc4ccccc34)coc2c1	39150776	YQVZHECSHFDOTJ-UHFFFAOYSA-N	234.254	4.846	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C(C)C)CCC1=O	71083892	LFFZDASTPIJXEH-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](CC)CCC	71106260	VYEXPWBTHHGZLO-ZIAGYGMSSA-N	213.409	4.514	0	10	BJAE	
Cc1cc([C@@H](C)NC2CCC(C)(C)CC2)c(C)o1	79653528	WPNVIDVJZIZQSF-GFCCVEGCSA-N	249.398	4.516	0	10	BJAE	
CCC[C@@H](C)CNc1c(C)ccc(Cl)c1C	83367713	ZCKSDYYUJLXWNT-SNVBAGLBSA-N	239.790	4.805	0	10	BJAE	
CC(C)(C)CCC(=O)C1CCC(C)(C)CC1	83778546	XSGNOUBZNVRXAL-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(C)cc(NC2C[C@H](C)C[C@@H](C)C2)c1	84462448	PWDGYPLBJXRFGX-ZIAGYGMSSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)C[C@@H](C)C[C@@H](C)C1	84472902	HIHWMLJDKRMNPV-IUOOZAAYSA-N	240.431	4.780	0	10	BJAE	
CCc1cccc(O[C@H]2CCC[C@@H](CC)C2)c1	85150993	MDKDLGHOBTUXDX-ZBFHGGJFSA-N	232.367	4.597	0	10	BJAE	
C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C	85661843	CVRSZZJUWRLRDE-RGCMKSIDSA-N	208.389	4.885	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCC2CCCC2)CC1	86939016	HTGSYIDAZLVDDL-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](O)C1CCCCCCC1	87690132	UXFXPHCACSYHJV-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCN[C@@H](c1cc(C)ccc1C)C1(C)CCCC1	94900348	HOFDTLJKLPSDHZ-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
Cl/C=C\CSc1ccc2ccccc2c1	96448578	CTNJYSIEQCKIMI-BAQGIRSFSA-N	234.751	4.684	0	10	BJAE	
CCCC[C@H](NCCC)C(C)(C)c1ccccc1	103948548	JPNUTEIVHAZCSE-INIZCTEOSA-N	247.426	4.523	0	10	BJAE	
CC1CCC(C(=O)c2ccc(C(C)C)cc2)CC1	109710357	PDZRSOPPJVHBOR-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCC[C@@H](NCCCC(C)C)c1ccccc1	109921164	XVTKDZVZBRGXIM-MRXNPFEDSA-N	233.399	4.554	0	10	BJAE	
CCCNC/C(=C/[C@@H](C)CC)C1CCCCC1	125563734	WKZYQGFOQAKGDU-QXPQOBGOSA-N	237.431	4.539	0	10	BJAE	
c1ccc2c(c1)CC[C@H](CC1CCCCCC1)N2	148969842	GOLUAENEXGNLEO-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
Cc1ccc(C(=O)CC2CCCCCC2)cc1	161874455	QLNCTCUVRXLGBZ-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CN[C@H](CCCC(C)C)C1CCCCCCC1	165960966	LPVRKLSDYQRXOM-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)C(=O)C1CCC(CC)CC1	166193494	YOQXDVAFXLVDCM-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2CCCCCC2)C1	166243357	XEZNGVSXAXTKJW-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1c(C)cccc1C	215913946	CGGWRSUDRGMEOA-HZPDHXFCSA-N	248.410	4.943	0	10	BJAE	
CNCCC1CCCCCCCCCCC1	216178499	HJCLNAKGQLYBNN-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@H](N)CCC2CCCCC2)C1	229456311	TXTIYAJGLQRAJE-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CCCC[C@H]2C)c1	232229283	QYVBHZXYWVXSPV-YPMHNXCESA-N	237.774	4.639	0	10	BJAE	
CC1(C)CCC([C@H](N)C2=CCCCCCC2)CC1	232774564	ZRJMWNLNSXECFF-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H](C)[C@@H]1C[C@@H](c2ccccc2)CCC1=O	233342358	NIRYZIDHFRGDJA-BPUTZDHNSA-N	244.378	4.576	0	10	BJAE	
CSc1ccc(-c2nc(C(C)C)cs2)cc1	235057470	IKHVUPGXAOWAJV-UHFFFAOYSA-N	249.404	4.655	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC2CCCCCC2)CC1	300574469	NSPKTVWAOFJLJV-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@](C)(CCC1CCCC1)CNC1CC1	302260826	OMJUQUSCEPVKCX-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cccc(CC(C)C)c1	302334815	ILAFPLKPQALNMA-RHSMWYFYSA-N	248.410	4.745	0	10	BJAE	
Cc1ccc(N[C@H](C)CCC(C)(C)C)cc1	304445451	WIFCHMQMWOJKGO-CYBMUJFWSA-N	219.372	4.622	0	10	BJAE	
CC(C)CC[C@H](N[C@H](C)c1ccccc1)C1CC1	306075413	YXOUKNWQMBHJRZ-PBHICJAKSA-N	245.410	4.552	0	10	BJAE	
CCc1cccc2ccn([C@H](C)CC(C)C)c12	306086919	HCPBJDIGVGVKDD-CYBMUJFWSA-N	229.367	4.811	0	10	BJAE	
CN[C@H](CC1CCC(C)(C)CC1)CC(C)(C)C	310146314	NZMURAZSGMWOQA-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NC[C@H](C)C2CCCCC2)cc1C	311135961	DZIHGYPEMZGQMW-HNNXBMFYSA-N	245.410	4.932	0	10	BJAE	
C/C=C/CC1(CNC(C)C)CCCCCCC1	317979640	UZFLHPJVAJFVBH-SNAWJCMRSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC(C)(C)C)CCC[C@@H](C)C1	318522473	IGBGVPRTGSNAOW-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@H](C)n1ccc2cc(Cl)ccc21	319688336	WEAVKAHZYULPBF-MNOVXSKESA-N	235.758	4.902	0	10	BJAE	
CC[C@H](Nc1c(C)cccc1Cl)C1CCC1	322300853	ACSUZYXDQJEGSJ-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
CCC[C@H](Nc1ccccc1Cl)C1CCC1	322753292	BHJVZBVSLMBOPZ-ZDUSSCGKSA-N	237.774	4.721	0	10	BJAE	
CCN[C@@H](CC/C=C/c1ccccc1)CC(C)C	324263290	JTXPCRFSNALELB-UEICXMAYSA-N	245.410	4.504	0	10	BJAE	
CN[C@H](CC/C=C\c1ccccc1)CCC(C)C	324354977	ZYRCTDNEWJWEET-CGICMKJESA-N	245.410	4.504	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@H]1NCC1=CCCCC1	379577205	BQTHORFFSQWDKL-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(CC(=O)C2CCC(C)CC2)CC1	380124133	CGPFHKPCTPUKIQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](c1ccccc1C)[C@@H](C)CC(C)C	381077466	GIZKWBQTSLXZJU-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CC(C)CCCCC[C@H](C)C[C@@H]1CCCCN1	383158853	PSEMXDUUMKIXNV-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CC[C@H](C)C1	383210960	ASDRFBKVHMZTEF-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C1C(C)(C)C1(C)C	383273784	ZKFLGOLNWHVYMY-CYBMUJFWSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)CCC1CCCCC1	384580892	XCNMIACPSNBWCH-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1CN[C@@H]1CCC12CCCCC2	388821113	BGDIGNOZEXLNQO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@H](O)C1(C)CCCCCC1	394554678	DFVBZKSGVLQIJO-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](NCCC1CCCCCC1)c1ccccc1	394554691	BVKVEMHPUIWDMJ-OAHLLOKOSA-N	245.410	4.698	0	10	BJAE	
CCN[C@@H]1CC[C@H](CCCCCC(C)C)[C@@H]1C	394803124	GFAIUXVCGLRAST-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCc1cc2cc(F)sc2cc1C(F)F	396211115	KDTLHIYTQPLMAR-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
Cc1cc(S)c(C(F)(F)F)c2ccsc12	396313483	ZDZPNJKAUURASE-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCc1ccc([C@H](NC)[C@@H](C)C(C)(C)C)cc1	399147241	DZEQWIRRQYAVEM-CZUORRHYSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)[C@H](C)C(C)(C)C	399224164	ZVTIMNYCZWJALE-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@H](C)C(C)(C)C	399311471	MIFWPYPPWXQRGQ-ZFWWWQNUSA-N	241.463	4.863	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1CC[C@@H]2C[C@@H]2C1	403847638	ROXIGYDSTUPMDT-KFWWJZLASA-N	243.394	4.658	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C1CC1)C[C@@H](C)CC	405826187	REZAWYIEPNEOBJ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC12CCCC2)c1cccs1	474027669	BPGRCHXWBOVZID-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCC(C)(C)CC)CC1	686307517	OLNALFKOHJXAGT-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC1(CNc2ccc(C)cc2C)CCC1	687524155	YVGLIEPWMQVGHR-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CCCC1(CNc2ccc(C3CC3)cc2)CC1	687542143	BISOILNABBRNSL-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCCC[C@H](C)Nc1cccc(C2CC2)c1	690149051	BVRQEQKIRSNEFJ-LBPRGKRZSA-N	217.356	4.555	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@H](C)CC	690188689	YCZNLVZMAQLKPU-GFCCVEGCSA-N	233.399	4.578	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCCCC[C@H]2C)c1	691068980	COSGDOUHSGARQD-ZBFHGGJFSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](C)c1ccc(C)o1	691139092	OMDOVIYXNSDXRR-KFWWJZLASA-N	249.398	4.598	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)[C@@H](C)C1CCC1	692753656	VENSAUKTQHAWGG-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1=CCCC1)c1cc2cscc2s1	694469265	LHYZTYQQTAFRCW-UHFFFAOYSA-N	248.372	4.646	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)CC1(C)CC1	696582321	SSZGTWNEXROVTD-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCCC(=O)c1cccc2ccccc12	697787238	DPSHZSXCAWHVRU-UHFFFAOYSA-N	238.330	4.769	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)CCCC	704843460	LMRJFCFJJNJQLG-KGLIPLIRSA-N	213.409	4.501	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@@H](C)CC(C)C	708299549	ZCSLSOLQBGYTBW-YOEHRIQHSA-N	247.426	4.753	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H](C)CC(C)(C)C	709110990	MUAPHFMMDDCSBW-LBPRGKRZSA-N	234.383	4.755	0	10	BJAE	
C[C@H](C[C@H](CO)C1CCCCCC1)C(C)(C)C	710804963	REJGBUNZESSVAG-UKRRQHHQSA-N	240.431	4.638	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)[C@@H]1CCC[C@@H](CC)C1	713738285	DISXLCYOGGMZFK-BIAFVLJASA-N	249.442	4.703	0	10	BJAE	
CCC1CCC(C(=O)CC[C@H]2C[C@H]2C2CC2)CC1	714803384	HOLRANDVVQWODF-UAOKOLBASA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CCc1cc(C)cc(Cl)c1O	718571156	WKHKOSIEMKRXIH-UHFFFAOYSA-N	238.758	4.643	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)C1(C)CCC1	720771329	BTQXWQOPGBCPLP-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H](C)C1(C)CC1	720921223	ZKISTUVWTYUDJB-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H](C)C(C)(C)C	720941681	VTHILVOYCUWTEX-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@H]2CCC[C@H]21	722074726	JQNRLPBZOZIABT-FRFSOERESA-N	243.394	4.630	0	10	BJAE	
CCC[C@@H](N[C@H](C1CCCCC1)C1CC1)C1CC1	723979308	BKGDFHRKESCMCD-IAGOWNOFSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(S[C@H](C)C(C)C)cc1	1651757013	DCRDLWCZVFWNBY-GFCCVEGCSA-N	222.397	4.947	0	10	BJAE	
COc1cccc(NC2CCCCCCC2)c1C	1658554568	FESVLDVLXBVHJG-UHFFFAOYSA-N	247.382	4.528	0	10	BJAE	
CCC(C)=CCc1cc(C)cc(Cl)c1	1888061860	ZWXWVZKJXAYIDG-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CCC(CC)CC[C@@]1(CC)CCCCCN1	1900709905	PSGBSCPWVQJDAK-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@](N)(CC)CC1CCCCCC1	1901062548	CVWNXDOSRNNXLG-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCCCCCc1ccc([C@H](C)OC)cc1	1901882896	MCIBZOQYNHDIIJ-ZDUSSCGKSA-N	220.356	4.517	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1C[C@H]1C1CCCCC1	1910633651	KHXCBRLHRDWTCC-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C[C@@H]1C[C@H]1C(C)(C)C)NCC	1910740404	MYERBUKJGZZAAT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1C[C@H]1CCC	1911055106	BPWXCTXBDMXWKZ-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CCC=Cc1ccccc1	1911792885	GRHWWRQLKNYBIH-HNNXBMFYSA-N	244.378	4.731	0	10	BJAE	
C=CC=CCC[C@@H](C[C@@H](C)CC(C)(C)C)NC	1911798858	NGVFJPXBNKTOSC-CABCVRRESA-N	237.431	4.559	0	10	BJAE	
CCC[C@@H](C)CC1(CN)CC2(CCCCC2)C1	1912550571	GTANRAHKJLFYFK-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CCC2(CCCC2)C1	1916415533	PQKNRMYYVGELFV-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@]1(C[C@@H]2CCC[C@H]2C)C=CCCC1	1916565975	VOEVKZFBGQBKSI-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC[C@@](O)(CCC(C)=C(C)C)c1ccc(C)cc1	1919884742	AIUXNLUBTFSFHP-QGZVFWFLSA-N	246.394	4.729	0	10	BJAE	
COc1ccc(C)cc1CC[C@H]1C=CCCCC1	1925844266	SJSUPDIPBFXVGB-HNNXBMFYSA-N	244.378	4.683	0	10	BJAE	
C[C@H](C[C@H](O)C[C@@H]1C=CCCCC1)C(C)(C)C	1925926565	SGHQFKQCAQRSML-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CC)CCC(O)(CC)CC	1934424288	UUNBRNUBKUBHPC-ZDUSSCGKSA-N	214.393	4.534	0	10	BJAE	
C[C@H](C(=O)CCCCCC1CC1)C(C)(C)C	1936416377	CVXBYXMCCLQDLA-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)Nc1cccc(Cl)c1	1939045896	FGQIZHKHJUFFGG-VXGBXAGGSA-N	239.790	4.823	0	10	BJAE	
CCCC[C@H](CCCCC1CCC1)NCC	1939118302	CRGUTYIFUHVYBW-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1CCC[C@@H](C)CC1	1939898891	LVEWOCPGPVOGCU-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](C)NC[C@H](C)C(C)(C)C	1940246211	OQCLLAZHXHKGLJ-UONOGXRCSA-N	241.463	4.575	0	10	BJAE	
CC1(CCC[C@H](O)[C@H]2CCCCC2(C)C)CC1	1940873933	CXRWEHPYPZNGEI-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H](CCC)C(C)C	1941264313	QYIMXPCFEHVGOH-ARFHVFGLSA-N	241.463	4.993	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)[C@@H](C)CCC(C)C	1942665658	ZONCRGWZHYOSIA-XHSDSOJGSA-N	241.463	4.848	0	10	BJAE	
C1=CCC2(CCCCCCCCCCC2)NC1	1943006120	VBJCPIUOYHIFQQ-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
C[C@H]1CC(CC(=O)C2(C)CCCC2)C[C@H](C)C1	1944197538	BJBAUAQZGJIXSV-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@](C)(O)c1csc2ccccc12	1945612774	KAHZFYKFOCPJSO-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@H](C)C1CCCCC1	1948324510	AKQNUDIMWRPEPU-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@@H]1CCC(C)(C)C1	1949516079	FSWCXXZFEAYWBY-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC(=O)[C@@H]1CCCC(F)(F)CC1	1950010908	CVZDBTOEKKYDCH-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCC[C@@](CO)(CCC2CCCC2)CC1	1950907561	FOWXZYCJWFGIDE-ZBFHGGJFSA-N	238.415	4.536	0	10	BJAE	
CC(C)=CCC(=O)c1cc(Cl)sc1Cl	1956822633	XQIYSCBENNLXSR-UHFFFAOYSA-N	249.162	4.594	0	10	BJAE	
CCN(CCCCCC1CC1)c1cccc(C)c1	1966145668	VFDMGEWCLVPPMR-UHFFFAOYSA-N	245.410	4.792	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CCC2(CCC2)C1	1971661543	FVKGSQNYERYDKU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NC1CC2(CCCCC2)C1	1972429314	ZWMWQTWVIVVDOI-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCCCCC[C@H]1N	1980350055	CROPFKUUBWFPGN-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCCCCCC1(N)CCC(C)(CC)CC1	1981059899	CASLBLSOCMDBBX-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1cscc1F	1982846061	GGYRJRAPIIVCJQ-SNVBAGLBSA-N	242.359	4.676	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCC[C@H]1C(C)C	1983272147	DBXVRRCXZJWONA-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC(C)=C(C)C)C1	1989652077	QPLJWQOOKQRVLY-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](CC)C1CCC1	1990089883	RFQULCBLYBJASM-HUUCEWRRSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](C)CC(C)C	1990761169	QQZGYBVFZIVVLY-GJZGRUSLSA-N	227.436	4.569	0	10	BJAE	
CC=C(CC)c1cscc1[C@H](C)NCCC	1994693248	FQLFTRZEYYDRQG-NSHDSACASA-N	237.412	4.622	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CC2(C)C)CC1	1997112906	ACALCEDFXDVCIF-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@]2(C)CCCCC2(C)C)C1	1997429893	SCPUFDRKKMTHKU-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C[C@@H](C)CCC	1998029370	FCBFGSYLLDXCJT-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CC1CC(C(C)(C)C)C1	1998256929	AYFIVZIIGRUOSS-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CC(C)=C(C)CCN(C)C1CCC(C)(C)CC1	1998425109	WVAFIIVYFVEUEQ-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1[C@H]2CCCCC[C@H]21	2002197068	ASIBBBKMATVGMJ-FICVDOATSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)C1CC(C(C)(C)C)C1	2002300510	ULYAPUIFFKAONQ-UWLZSVRSSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1CCCC(C)(C)C1	2002983115	KRWUIXHECBHQKF-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C2CCCCCC2)C1	2003012849	CNAKESSDODUCTL-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)[C@H]1CCC[C@@H](C)C1	2003023414	XISUJQGOHWCIMV-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H]1CCCCCCCC1=O	2003073726	IRPSAJXYLZVQIQ-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C1(N)CCCCCCCC1	2003094099	BKVALQAQFHBQIY-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CC1(C[C@@H](O)CCCCCC2CC2)CCCC1	2003179721	RTBUOMDWRGWEQP-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
Cc1cccc(NCC2(C)CC(C)(C)C2)c1C	2003384414	LAOCXZNSLODNLM-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CCC1(CC)CCC(O)(CCC(C)(F)F)CC1	2004354404	XZNZPZVQKNNBTI-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@@]1(CO)CCCCC12CCC2	2005581608	ZVODWZFYUQETNH-INIZCTEOSA-N	238.415	4.680	0	10	BJAE	
CCCCCC[C@]1(CN)CCCCC12CCC2	2005600647	IZZFHQLRUHJBPM-MRXNPFEDSA-N	237.431	4.646	0	10	BJAE	
C[C@H]1CCC[C@H]1C1(N)CCCCCCCCC1	2006766504	WUNZUALHMJSFPV-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC=C(C)[C@H](NCCC)C1(C)CCCCCC1	2007858326	WYJGYWRFKBZECO-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC[C@H](C)C2)CC1	2009412106	VNGWOLFOROJAGO-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCNC[C@@H]1CCCC(C)(C)CC1	2009597649	GAMZKDQELYXJFT-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCCCC1CC(O)(C2=CCCCCCC2)C1	2009713716	FICDXVFRUMSYHZ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C1=CC[C@H](C)CC1	2010623891	JOLJFSRULCOQKO-NUEKZKHPSA-N	237.431	4.523	0	10	BJAE	
Cc1cc([C@H](N)C2=CCC(C)(C)CC2)c(C)s1	2010745376	ZQPDAGFDCDLFEK-CQSZACIVSA-N	249.423	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CCCCCC12CC2	2011273524	BXZRIRJQQFSRDG-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)NCC(C)(C)C1CCC1	2013262642	CLTVVLGAJZHIFX-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)C1(N)CC(CC(C)(C)C)C1	2014656577	PJXMICKMCUKXBR-VQCLRJIVSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@H]1CCC1(C)C	2014850378	VHLLKSNGENRBKB-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](C[C@H](C)C(C)C)NC	2015278270	MQVYSPSLRAFZLG-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)C)C1(C)CCCC1	2015281404	MWRYOEDEFBOHHP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCC(C)(C)C2)CCC1	2015589253	QSRJTQKLKURWGN-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](CNCCC1(C)CCCCC1)C(C)C	2016111985	JMHWEJXHMAIUCU-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CC[C@H]1C1CCC1	2017030678	ASIGDVINSICWTJ-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC1(C(C)C)CCC1)C(C)(C)CC	2017143040	ZUPZLLMUAXRUCM-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CC[C@@H](CC)C1	2017486582	LEULIGFHJDECAN-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C[C@@](C)(O)C2(C)CC2)CC1	2017647576	GYRNSJNLYVQNKD-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@@H](O)CCCC(C)C)CC1	2017649190	SXZOCGBGAKWMCQ-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@H]1CC[C@H](CC)CC1	2017722959	RTNHMFOALLDZMY-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](N)CCC1CCC(CCC)CC1	2017732269	ZRGFYJKEHCCCJB-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@@H](C)C1CC(C)C1	2019187920	GCVDYLVJTZZGBL-PWUWZPNHSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](C)CN(C)[C@@H](C)C1(C)CCCCC1	2019284776	DARIICITGPEJQV-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCc1ccc(N(C)CCC(C)(C)CC)cc1	2019378349	WDUDBDXNDCTPLT-UHFFFAOYSA-N	233.399	4.512	0	10	BJAE	
CCCCC[C@H](C[C@H]1C[C@@H]1C(C)(C)C)NCC	2022489733	MYERBUKJGZZAAT-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC[C@](C)(O)CC[C@@H]1C[C@@H]1C1CCCCCC1	2022528630	JSOLXYOGXWMKMH-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CC(=O)CC1CCCCCC1	2022561673	XAVXRZDLRPYXHC-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CCc1cc(F)ccc1NCCC(C)=C(C)C	2023453344	XGUSPNPKSPVJPA-UHFFFAOYSA-N	235.346	4.546	0	10	BJAE	
CC=CCCC[C@H]1CC(C)(C)C[C@H]1NCCC	2023607667	BDWZWYBJXHDAKC-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@H](C)[C@H]1NCCC	2023998888	FIRGFEKFEVNGAR-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@@H]1CCCC(C)(C)C1	2024091783	LNXIWRLDHQFPFU-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CC1CC(CC(=O)C[C@H]2CCCC(C)(C)C2)C1	2024092807	VBRQTSZTAIMXSM-ROKHWSDSSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](Nc1ccccc1C1(C)CC1)c1ccoc1	2032242187	DTSALSIQWYNQNS-GFCCVEGCSA-N	241.334	4.504	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](N)[C@@]12CCCC[C@@H]1CCC2	2032508125	BFWKDGZJIDSHJP-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2C[C@H]3CC[C@H](C2)C3)C1	2033099143	BDUIKSBYDXGBCF-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1c(C)coc1CC	2035531538	IZNSNJMWZVPHRT-AWEZNQCLSA-N	249.398	4.547	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)C(C)(C)C1CC1	2035598905	LDRTUSRJXIWKMJ-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C1CC(C)(CC)C1	2036488009	ZWBHUFZUKCIGJI-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1n1ccnc1C1CCCC1	2036777023	VHCVHLRALRSCNM-UKRRQHHQSA-N	246.398	4.682	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C[C@@H]1CCC[C@@H](C)C1	2037048843	UCOZMKKXKIZDKM-WQVCFCJDSA-N	245.410	4.520	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C2=CCCCC2)CC1	2037095411	LUUAODBPCDAZBH-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC(C)(CC[C@@H]1CNC2(CCCCC2)C1)C1CC1	2037721248	OHTOQTLGRZDCNC-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)CC1CC2(CCC2)C1	2037972000	HZURHKLMQAIAMW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CC(C)(C)C1)C1=CCCCCC1	2037981991	IKYDBHQCDDIQHO-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](C)c2[nH]c(CCC3CCCC3)nc21	2038006591	GFHHSJQYYBJQGT-RYUDHWBXSA-N	246.398	4.533	0	10	BJAE	
CC(C)(NC[C@H]1CC12CCCC2)C1CCCCC1	2039091590	JROCNPAJOMUQKL-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](C[C@H]2C=CCC2)NC)CC1	2041381683	BCIPFLKWEIOLBE-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C1(C)CC=CC1	2042015480	AMGNYTPYDHNHMG-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1CC([C@H](C)Nc2ccc(C3(C)CC3)cc2)C1	2043544601	SLVHLWKVIPOQQH-MOKVOYLWSA-N	243.394	4.585	0	10	BJAE	
C1=CCC[C@H](CN(C2CCC2)C2CCC2)CCC1	2045310964	HHZIKAXSOIHHCQ-HNNXBMFYSA-N	247.426	4.530	0	10	BJAE	
CC[C@H](NC1CC2(CCCCCC2)C1)[C@H]1C[C@@H]1C	2046231087	BTBJSIIVJMFRHP-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CCC1)NC1CC2(CCCCCC2)C1	2046234093	XQTWZEMRJSZNDH-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@@H]1CC12CCCC2	2047016506	PGZJBLUKVPPPDC-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
N[C@H](C1CCCCC1)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047411504	BNWPBDIDVQNNTB-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC1(CNc2ccc(C(C)(C)C)cc2)CC=CC1	2047727501	YBKFTLJSPWBLGH-UHFFFAOYSA-N	243.394	4.752	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2[C@H]3CCC[C@H]32)CC1	2048469958	GSVUQIPKAKFFOQ-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2CCC[C@@H](C)C2)cc1F	2049539510	HLNISBBBUMKUBO-BNOWGMLFSA-N	249.373	4.761	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC2(CC2)C1)CC1(C)CC1	2049856532	QWPFKDJJDMWMQP-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC2(CC2)C1)CC1(C)CC1	2049856536	QWPFKDJJDMWMQP-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CCNCC2(C3CCC3)CC2)CC1	2051905142	JGQFLWNHOGEXKA-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@H]1CCCCC12CC2	2053410849	HDASLELZMRREIA-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H]2C=CCCC2(C)C)C1	2055530965	DJXFXHKEEBTEFX-BZUAXINKSA-N	249.442	4.536	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC=C1C)c1ccc(C)cc1	2055667923	ABNYTUJOZSQETL-DLBZAZTESA-N	243.394	4.535	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2CC(C3CCC3)C2)C1	2056669854	PKIUCDZIMOUFKX-KNLHSXBVSA-N	248.410	4.598	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@](O)(C=C1CCCCC1)C2	2056861700	BFHJCZLWCVTBJQ-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC[C@@H]3C[C@H]23)C1	2057357583	LWCIGIXVBAOZHG-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1NCC[C@@]12CCCC1(CCCCC1)C2	2058476499	WYUKFLMBTNJKBX-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CCC1(CC)CC(NCC(C)(C)C2=CCCC2)C1	2058833639	QCEHYBUDMNUHRR-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H]1CC[C@H]2C[C@H]2CC1	2059251887	COQHTACPZXHUAS-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C1CC(C2CC2)C1	2059268103	VNELHJOBCVBTRP-XFJXHMJPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCC23CCCCC3)CC1	2061115427	HMIVKHSLPCKMJQ-PBHICJAKSA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)CC2(C)CCCC2)CC1	2061140896	QTCSPZKLIWTOSU-HOCLYGCPSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C(=O)CC[C@]12CCC[C@H]1C2)C1CCCC1	2061604916	CMGJRZNNIXZDHX-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@H](C[C@]12CCC[C@H]1C2)NCCC	2061619103	YUGOEUSMTULHNW-WVVOIENYSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(CC)C(=O)c1c(C)c(C)cc(C)c1C	2061876180	IHQUQARFQDVFMB-UHFFFAOYSA-N	246.394	4.929	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H]1CCCCCC12CC2	2062018178	QWTNXNQKGFMFHD-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC(C)C1(C(=O)CC23CCC(CC2)CC3)CCC1	2065277575	PITSNXOVLQKGRE-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H]1C[C@@H](C2(C)CCCC2)C12CCCCC2	2067498006	HEKOKFPZVGVINV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(NCC2C[C@@H]3CC[C@H]3C2)c1	2068744047	KWXSDCLSWTZGFZ-HOTGVXAUSA-N	243.394	4.658	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068778138	YGNRSMDRHLFRFA-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](O)CC(C(C)C)C(C)C)c1C	2068844715	QAMBBBJXHTWADH-QGZVFWFLSA-N	248.410	4.655	0	10	BJAE	
CC(C)C(C=C1CNC2(CCCCC2)C1)C(C)C	2069003428	OEEDXZSANMOONP-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC1(C(=O)C[C@H]2CC23CCC3)CCCCCCC1	2069168773	SSAADVOIIQFCMX-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)C1(CC2CC2)CCC1	2069512538	CEFFRNISQJTKFT-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@@H](Nc1ccc2ccccc2c1)C1CC=CC1	2070797497	WDUMHDIUNRMRFZ-CYBMUJFWSA-N	237.346	4.606	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CC1CC2(C1)CC(C)(C)C2	2071483412	FQLBLFXRUWUOSF-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2CC23CCCC3)CCC1	2071922090	NXEZRRGKPAWZRU-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)C1(C(C)(C)C)CCC1	2071934045	PJRRZUJTEJCEOD-DZGCQCFKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC2CC3(CC3)C2)CC1	2072703292	XUFHAHAQXNQOMG-CTYIDZIISA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(CN)CCCCC23CC3)CC1	2072801006	JTQISJHMAFXDIY-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CC=C(CC)[C@@H]2N)CC1	2072802590	ZIJSVCMLAYQDDL-SRABZTEZSA-N	249.442	4.667	0	10	BJAE	
CCOc1cc(C)ccc1N[C@@H](C)C(C)(C)CC	2072832766	LSYFDEFUPRZUKX-ZDUSSCGKSA-N	249.398	4.630	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cc(C)c(N)cc1C	2073279263	AVXNFGGYGNTERI-CQSZACIVSA-N	248.414	4.656	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)CC1(CC)CC1	2074645226	ZFSYIHQGCYVGJE-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCC1(CC)CC(N(C)[C@H]2C=CCCCCC2)C1	2074798518	BKXJICWZOUEUFW-HNNXBMFYSA-N	249.442	4.776	0	10	BJAE	
CN([C@H]1C=CCCCCC1)[C@@H]1CCCC2(CC2)C1	2074800239	TUJDJCIYGYYIKE-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCC2=C(CCCC2)C1	2074900799	SVHOWPQPENZEQH-RHSMWYFYSA-N	247.426	4.532	0	10	BJAE	
CCCCN(Cc1ccc(CC)cc1)[C@@H](C)CC	2074918908	NBKOSTDAMSANMC-HNNXBMFYSA-N	247.426	4.650	0	10	BJAE	
Cc1ccc2c(c1)CCCN2[C@H](C)CCC(C)C	2075233949	RXLVHCLPQYCKLC-OAHLLOKOSA-N	245.410	4.572	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2ccccc2C2CC2)C1	2077262307	QPGVGUHHJPRYMF-CQSZACIVSA-N	243.394	4.945	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@@H]1C[C@H]1C(C)C	2079640484	CVZMMOHTAPEXOS-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(=O)[C@H](C[C@@H]2C[C@@H]2C2CCCCC2)C1	2082263738	GTQSXUSRARKGRE-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)CC1CC(CC)C1	2084997653	JZNIFBUNPIMJNW-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
CCC1(C(=O)c2scc(C)c2C)CCCC1	2210560241	PNWXGOZCRPIGNY-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCC(CC)(CC)NCC1(C)CC2(CCC2)C1	2215392929	JFLHWYBWSKUQCM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC1(C)CC(C)(C)C1)C(C)C	2215393454	BZVTVSZZULSFOK-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@H]1CC[C@H](C)C1)C(C)(C)CCC	2216286233	SIDGJQCUKDLJSK-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC1(CN[C@H](C)CC)CC1	2217150312	MTDMESMJBOMZHQ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)(C)CC)C1CCC1	2217153182	KFJGAFLJBJRIGK-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@H](CCC(C)C)C1CCCC1	2217156272	JTYFYZMXYOAMIW-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218356079	JDAWUVCCIUEGTI-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CCNCCC=C(C)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218361784	QKLPXKVGNXXMEJ-BJWYYQGGSA-N	249.442	4.539	0	10	BJAE	
N[C@H](CCCC1CC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218362328	WKKITAWVLAVETK-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)C[C@H]1C[C@@H]1C1CC1	2218733929	YZUURFQFJBMSPE-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C/C=C/c1ccccc1)CCC(C)C	2219082455	SAYDLGJAZUPJJR-VGMNTSGFSA-N	245.410	4.504	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCC1(C2CC2)CC=CC1	2219246981	IFCCWPRARSBLJS-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@H]1CCCCC1CC1	2220043069	AZTGOZUQBDHXSB-CJNGLKHVSA-N	243.394	4.630	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2221642861	JYCJITPSNBOHSB-WBTNSWJXSA-N	248.410	4.764	0	10	BJAE	
C(CCCC1CC1)CCCN1CC[C@H]1CC1CC1	2223118857	NKKHPNDKOMCVMQ-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCc1cc(Cl)ccc1C[C@H]1C=CCCC1	2243648665	ORUBZGOOZRILJW-LBPRGKRZSA-N	234.770	4.801	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)C1)C(C)(C)CC	2246454682	QLWRIPSTBVRVRB-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
Cc1ccsc1C(=O)C[C@@H]1CCCCC12CC2	2246617133	IUOKVJQHTAIZOF-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
C[C@H]([C@@H](N)CC[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2246659846	LFYACRMUXXEJOU-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CCC(C)C)CC[C@@H]1CCC[C@@H](C)C1	2246733516	QXYHYBJIEHLISH-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(C[C@H]1CCC1(C)C)C1CCCCC1	2247344465	BNONEBXQUQOKJC-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1CCC12CCC2	2247426375	XGBPEZGFBFFDJA-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@H]1CCC1(C)C	2247437844	CIAZIBAPIDTCJW-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](CNC(C(C)(C)C)C(C)(C)C)C(C)C	2247753547	AMYJWTVNPXRRCT-ZDUSSCGKSA-N	241.463	4.719	0	10	BJAE	
N[C@H](CC1=CCCCC1)c1csc(C2CC2)c1	2248057129	UADSXVWSJBSUHZ-CQSZACIVSA-N	247.407	4.516	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)CCC1(C)CC1	2248822374	SUTMWEIBWOFOOU-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC(C)NCC(C)(C)CCCCC[C@@H]1C[C@@H]1C	2248847133	YFNMQECKEOIFAH-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(-c2ccc(O)cc2C)c(C)cc1Cl	2249205478	YMNAHYCKKZGLEA-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CC(C)(C)c1cccc(NCC=C2CCC2)c1	2249257057	BOGZSGMBPCCUNS-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1CCC(C)CC1)NC	2250354672	FRNBGVXKDSDYET-SSHXOBKSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H](C)C1CCCCC1	2250362725	WXLUMXWULAFQMG-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CCC1CC(C)C1	2251752431	ZMXZOAIQJQHXTD-BHDPWAOGSA-N	239.447	4.747	0	10	BJAE	
N[C@@H](CCCC1CCC1)C[C@H]1CCCCC12CC2	2253818566	SEXQZVWCMKCQHI-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCN1CC[C@@H]1CCCCC12CC2	2253853114	JVBZRJAMUHMLTI-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
Cc1cccc2c1N[C@@H](CCCC1CCC1)CC2	2253869794	XTRHOPULWBVXJH-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@@]23CCC[C@H]2C3)C1	2253930999	OZHSGHJNXWCQJB-AIANPOQGSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)C(C2CC2)C2CC2)C1	2253939041	PQZJIXZMBICGSI-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@]1(CC2CC3(CCCC3)C2)CCCN1	2254082123	KMYNZCCHQKYARW-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CCC1)CC1CC2(CCCC2)C1	2254110369	DTGNAIAVKVEJFP-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@H](N)CC2CC3(CCCC3)C2)C1	2254116863	WENMADAWMCRNJL-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1CNc1cccc(C2CCC2)c1	2254964864	QRVVEVGUPCKKGL-HNNXBMFYSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)CC[C@H]1CC1=CCCCC1	2255092424	UIZPALWWPZIRJI-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)CC[C@@H]1CC1=CCCCC1	2255092427	UIZPALWWPZIRJI-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(NC[C@@]23CCCC[C@@H]2CC3)c1	2260623172	NFJYUEWBLGOERE-WBVHZDCISA-N	243.394	4.631	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@]12CCCC[C@H]1CC2	2260677411	FOPFODZVSLUXSG-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](N[C@@H]2CCC23CCC3)C1	2261399998	FZVAEARQRWZPFV-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)C[C@@H]1C[C@H]1C	2298648538	MNCMPVHHVFSZSY-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@](C)(O)C(CC1CC1)CC1CC1	2298845416	PPCBMJUALWTBKJ-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CC1)Oc1ccc(C(C)(C)C)cc1	2298907979	LKWWGGCWVCBJHK-LBPRGKRZSA-N	232.367	4.552	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C1(C)CCCCCC1	2298946321	FTZZPQPKDVOOTG-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@](C)(CC)C(F)F	2299838145	JYZXWNUUOUSIMF-FZMZJTMJSA-N	248.357	4.843	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@]1(C)CC=C(C)CC1	2300681998	UYCYZHGMLBQGIQ-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CCN(CC(C)C)C1CCCC1	2300688579	OMDDJHYDKHNPGU-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1CCC2(CC1)CC2	2300689751	AXRJYLOYPSANDZ-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](N)(CCC(CC)CC)[C@H]1CC1(C)C	2300701843	UIKOZQPPJUEEFA-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)CCC1=CCCCC1	2301938679	OKBYSGKOAPLVLC-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCN([C@H]1CCCC1(C)C)[C@H](C)[C@H](C)C(C)C	2301978924	RVOCCYRWPOKNIK-KFWWJZLASA-N	239.447	4.568	0	10	BJAE	
CC[C@H]1CC[C@](O)(CCCC2=CCCCC2)C1	2302325583	IRENKGSWAUCCJY-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(CCCC2=CCCCC2)cnc1C	2302345100	NWMGSUOFDOOQPH-UHFFFAOYSA-N	229.367	4.522	0	10	BJAE	
CC(C)NC[C@H](C)CCCCC1=CCCCC1	2302360207	ZSXMTIODRDVFHW-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)C1CC(CC(=O)CCCCC2CC2)C1	2302577450	PDBJYABMWWPLQN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303461275	IHVWHBLLYYCLCY-BYNSBNAKSA-N	239.447	4.602	0	10	BJAE	
CCNC[C@@]1(CC(C)(C)C)CCC(C)=C(C)C1	2303472235	QUVFOMYVDGOQGC-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)[C@@H](C)NC[C@H]1CCC(C)=C(C)C1	2303598049	XVBLMUHGJXWZQQ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)CC[C@H]1CCC(C)(C)C1	2304440046	OSGZGELHPDUREN-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
C1=CC[C@H](c2nc(C3CC4(CC4)C3)cs2)CC1	2304460434	LWVDBLOYHLNXOW-NSHDSACASA-N	245.391	4.624	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)[C@@]12CCCC[C@H]1C2	2307834597	KGXXFKQQEIMBMZ-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1(C)CCC(C)CC1	2307894143	PZNDWVHVDRVOTF-PYBGIAKNSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CC[C@H](NC)c1ccccc1	2307895188	PGHBWYZEUKNKMK-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CCC[C@H](CC)CN(CC(C)C)C(CC)CC	2307906085	BQXQHCDNAOSTPS-HNNXBMFYSA-N	241.463	4.959	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21	2307927009	UEZCTXIUEIAIOB-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCc1cc([C@H](NC)[C@H](CC)C(C)C)ccc1C	2314711532	KGVMFCWJZSOZNY-SJORKVTESA-N	247.426	4.500	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCC=C(C)C2CC2)CC1	2315265240	VTKRULBKYPRMPS-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC1CC2(C1)CC21CC1	2315947971	WVMKKVKNLYVUCP-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC=C(C)CCCC(C)C)c1ccoc1	2316579323	NOZIHQDKMDBXNZ-INIZCTEOSA-N	249.398	4.703	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H]1C[C@H]2CCC[C@H]1CC2	2316868823	BELGXTYIHWMARR-HJWJTTGWSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1C[C@H]2CCC[C@H]1CC2	2316887513	YQIOMWZHLSJCDT-LTIDMASMSA-N	249.442	4.680	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1ccc(F)cc1C1CC1	2317105260	IXQXGTGFPJYQNH-LLVKDONJSA-N	248.341	4.568	0	10	BJAE	
CC(C)Oc1ccc(N[C@H](C)[C@H](C)C(C)C)cc1	2317820181	MQWULHLHEUFPNV-ZIAGYGMSSA-N	249.398	4.566	0	10	BJAE	
CN(CCCCC1CC1)CCCC1=CCCCC1	2318570712	ZDTBYJRPFPYOAV-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
O=C(CCCCC1CC1)CC1CC(C2CCC2)C1	2318873510	GUTAJGYCFVLPAH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CC1(C)CC2(CCC2)C1	2318928629	OPKALHZSFVJKCD-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2CCC3(CC2)CC3)C1	2319124352	RMQIBEPSJWBLJQ-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)[C@]2(C)CC=CCC2)CC1	2320346845	GZPUSIZWQXDFAZ-YESZJQIVSA-N	247.426	4.587	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCCC23CCC3)c1	2321089049	IBUHEINPWRYWHO-HNNXBMFYSA-N	247.357	4.523	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)C[C@@H]3CCCC[C@@H]32)C1	2321646218	VJIRMBSOYGAWAJ-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H]1CC[C@@H](CCCCC)N1	13437546	YDPNIEQSKNIPHC-CABCVRRESA-N	225.420	4.658	0	10	BJAE	biogenic
Cc1cccc(NC[C@@H](C)c2ccccc2)c1C	21035574	FHYPLXBISCIWFW-CQSZACIVSA-N	239.362	4.519	0	10	BJAE	
CCCc1ccc([C@@H](N)CCC2CCCC2)cc1	21512900	PUIHDPVVTRNDRT-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCCCCCC(C)(C)[C@H]1CC[C@@H](C)CC1=O	69405075	RBJYQOSNGAUHMI-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1CCCCC1	71127421	XGJGENXLIATDNL-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@@H](C)CC	71127914	WZPMRMYKXGBMTQ-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
Cc1ccc(Cl)c2c(Cl)cc(Cl)nc12	82788822	MZPQHCCRMCJFEX-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CC1(C)CCC[C@@H](Nc2ccsc2)CC1	85528196	XRRAEVQBGIRWDU-LLVKDONJSA-N	223.385	4.519	0	10	BJAE	
CCC[C@H]1CCC[C@@H](Nc2ccsc2)CC1	85529060	XUUIJMLNJKMYSY-QWHCGFSZSA-N	237.412	4.909	0	10	BJAE	
CC1(C)CCC[C@@H](NC2CCCCCC2)CC1	86894440	FFXKPKQUMALJPP-OAHLLOKOSA-N	237.431	4.658	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccc(C)cc2F)CC1	86896502	HWYCKEZWCDTSQP-KBPBESRZSA-N	249.373	4.905	0	10	BJAE	
Clc1cccc(NCCC2CCCCC2)c1	87473311	HTXGFIGEOILCLS-UHFFFAOYSA-N	237.774	4.722	0	10	BJAE	
CCCCC[C@H](CNCC(C)C)c1ccccc1	88099275	BPXBGALQGZMALT-QGZVFWFLSA-N	247.426	4.596	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](C2CCC(C)CC2)C1	93123242	TVBTTYGAIPHENV-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC2(C)C)cc1F	94274174	OPLUPRPIJBXWLP-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
CCC1([C@H](NC)c2ccc(C)c(C)c2)CCCC1	94899894	RZRLCATUYYQYQA-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCCC[C@@](CC)(CNCC)c1ccccc1	103996530	DMCGUAYADVLFME-KRWDZBQOSA-N	247.426	4.524	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CCC[C@H](C)C1	104388729	YGWBHYQZLHUSJE-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCCCCCOc1ccc(CCCF)cc1	107576716	CGSFWQSIPWOBKY-UHFFFAOYSA-N	238.346	4.548	0	10	BJAE	
CC(C)CCC1(CN)CCC(C(C)(C)C)CC1	110449414	MHNQHHLJVHRWTR-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1ccc(C)cc1	111817213	WMEWJAIWAOCCLP-HOCLYGCPSA-N	234.383	4.635	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CCC1CCCC1	125076773	KFWOMAZALGKART-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C(C)(C)CC	126813415	UXQNIVMWYMADDR-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](C)CC[C@@H]1CNCC	155941842	KZBXHOMZCWJHHZ-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1cccc(CCC)c1	159813544	PVULPGVSTSBSRE-NVXWUHKLSA-N	248.410	4.889	0	10	BJAE	
CCC[C@@H](C)C[C@H](CCC1CCCC1)NCC	162153786	GXDWFLGHVLSTRC-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)c1cccc(C)c1C	163348762	IVXIJOHHZNFPSF-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCCC(O)(CCC)c1cccc2ccccc12	165491255	DAMPCZDONAKVGJ-UHFFFAOYSA-N	242.362	4.628	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)c1ccc(C(C)(C)C)s1	165597914	YNPVXNWVJUCDNC-ZWNOBZJWSA-N	240.412	4.515	0	10	BJAE	
CCc1ccc(Sc2ccc(C)cc2)cc1	196390749	ZOMLGLRCRXJMJM-UHFFFAOYSA-N	228.360	4.709	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)CCO/C=C1/CC=CCC1	207478939	HLOZLHYGUPOUHI-HYRSGWHKSA-N	236.399	4.945	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCC)C[C@@H]1CC(C)C	217734351	GDVOUUOJMOQUFK-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@H]1CCCCC1(C)C	226563098	ANPBVTCNSZSFPP-HIFRSBDPSA-N	249.398	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC[C@@H](CC)C1	227220707	NNGAOOUYPUYMCG-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCC[C@H](C(C)C)C1	230986231	WUYGWZOBDGITIF-DZGCQCFKSA-N	249.373	4.761	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(Cl)c(Cl)c1	233289419	LILUPVGMJSHRJV-SECBINFHSA-N	246.181	4.984	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C1(C)CCCCC1	233918443	HQSZZVNWPQARPW-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(C)c1C(=O)C1C[C@H](C)C[C@@H](C)C1	235630572	CTBQLBSLSYTVND-VXGBXAGGSA-N	244.378	4.558	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCCC[C@H]1C(C)(C)C	251269774	DZUICHXAAPARDJ-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC[C@H]1C)C1CCCCC1	251565029	ALWRFQFXRKPJSM-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CC(C)C(F)(F)c1ccc(C(C)(C)C)cc1	259082526	ZUMYPFDMYUDSLY-UHFFFAOYSA-N	226.310	4.732	0	10	BJAE	
CCCN[C@@H](CC)CCCCC1CCCCC1	302236721	ALGJVEQOPALKBZ-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCN[C@H](c1cc(C)c(C)o1)C1(CC)CCCC1	302395244	ODUBYDPNUZDXBT-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(O)C[C@@H](C)CC(C)C)c1	302403426	RWIGQTSIFURNDT-YOEHRIQHSA-N	248.410	4.583	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@H](C)C(C)(C)C)c1	304313110	QUTVEMJRTPIQEC-NSHDSACASA-N	239.790	4.743	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](C)(O)CCC(C)(C)C	304342652	FNVJAQLDEGOXCS-HIFRSBDPSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@@H](CC)CC(C)C	308083556	SVRWJKNADQPGDT-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
CC(C)(C)C(C)(C)N[C@@H]1CCC12CCCCC2	310105716	CUAOZQQNAJSVHU-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H]([C@@H](C)CC(C)C)C1(C)CCCCC1	310183376	UXTKHJHUOIBPQY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C1(CCC)CC1	310298995	PRYXTCLTTCHFQU-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)C1(CC)CC1	310346437	FKVUIDZMCURQAS-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)c1csc([C@H]2C[C@H]3CC[C@H]2C3)n1	310456475	ZHRSIRNNQXKCOH-SRVKXCTJSA-N	249.423	4.734	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@H]1CCCCC12CCCC2	310799729	WXNZXWBXOHKYDR-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)CCCN[C@@H]1CCCC12CCCC2	313267512	KKTYPVJOSILVND-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@]1(CNCCC)CC[C@H](CC)C1	319279994	MLASFQKMLOEJHK-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
Clc1ccccc1N[C@@H]1CCCC12CCCC2	328182679	NRDUMJRBVMJSEM-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
CCC1CCC(c2nc3ccc(C)cc3[nH]2)CC1	328294697	VWVIZXARLUFNCY-UHFFFAOYSA-N	242.366	4.555	0	10	BJAE	
Cc1ccccc1[C@@H](N)C[C@H](C)C1CCCCC1	381010824	LTJPXDGWQBWWCI-YOEHRIQHSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@@H](CCCCCC(C)C)C(C)(F)F	383399886	RTCWFFIBADFKJX-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H](C)C1CCCCC1	384081329	XQBLKQRFOVMPMZ-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
C/C(=C/c1cc(Cl)ccc1F)[C@H](C)Cl	388999521	YACPMFQZYFNWRC-TVSKSKRASA-N	233.113	4.510	0	10	BJAE	
C/C=C(\CC)C(=O)c1cccc(Cl)c1Cl	389369271	XFNWVTWUWPTNFY-FPYGCLRLSA-N	243.133	4.532	0	10	BJAE	
CCC(CC)(CC)CNC1[C@@H](C)CCC[C@@H]1C	391189101	USHKQLWYTWBTRA-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC/C(=C\C1(C)CCCCC1)CNC(C)(C)C	394781796	MAVCIHIJASDTNG-WYMLVPIESA-N	237.431	4.681	0	10	BJAE	
Cc1ccc([C@@H](O)CCCCCC(C)C)cc1C	394866935	PRPOFMVGZYGROF-KRWDZBQOSA-N	248.410	4.943	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccsc1Cl	395638694	JCEMKCPDAQRIIX-VHSXEESVSA-N	243.803	4.782	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H]1C[C@H]1CC(C)C	395682573	SEOKCZDFXIBQMJ-PMPSAXMXSA-N	239.447	4.602	0	10	BJAE	
CCc1cc2cc(SC)cc(CC)c2s1	396175779	BIXAHNHILKPTBG-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CC(C)[C@@]1(C)C[C@H]1Nc1ccc2ccccc2c1	397231720	RJFQASXBNKAXPE-IAGOWNOFSA-N	239.362	4.686	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C1(CC)CCCC1	398898992	HBTAJXCKOQIXBN-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)NC[C@H]1CCCCC[C@H]1CC1=CCCC1	400663886	SYYGOXMYUHFNBM-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C[C@@H]1CC=CCC1	402231784	YTIKDXVSQWEMQD-NVXWUHKLSA-N	247.426	4.601	0	10	BJAE	
C[C@H]1C[C@@H](Nc2cccc(C3CC3)c2)CC[C@H]1C	690076802	QQARWWVYNSXOAW-IGCXYCKISA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H](C)CCC(C)C	691098324	JAJOJMIYDUJDKB-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@]12CCC[C@@H]1C2	693142204	BVAQUQCNLZFAII-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@]12CCCC[C@H]1C2	693158691	QKWWHPQZUMMFHF-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CCCC[C@@H]1C1CC1	695837527	KQIQDERRAKIZTF-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@](N)(CC)Cc1ccccc1	696676269	BEWAYGXAPJSXSB-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
CCCN[C@H]([C@H]1CCCC1(C)C)C(C)(C)CC	701180817	QSQFRFTWJSKEID-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@](C)(N)C1CCCCC1	704863648	RSBQESDEFAIXQN-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC[C@](N)(C[C@H](C)C1CCCCC1)C1CCC1	705349815	IUISPSPSTOBIQW-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC12CC2	706519383	RLXFJDMOZHOQSG-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]3CCC[C@@H]32)CCCCCC1	707781732	YFXWNXUMWFRCLM-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(O)CCCCC[C@H]2C)C1	709195453	RJQMAFVFTIWALS-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(OC[C@@H](C)CC(C)(C)C)cc1F	709264145	RBJOAKFHIYJANX-NSHDSACASA-N	238.346	4.585	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1	710058978	YGBJXHCLRQBXGY-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc([C@H](N)C[C@@H](CC)C(C)(C)C)cc1	711048035	BPVIFIOQSJSWSE-HZPDHXFCSA-N	247.426	4.711	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1C[C@H]2CCCC[C@@H]21	712508495	KRNRJKXUKBIFLK-HYVNUMGLSA-N	241.378	4.555	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C1(C)CCCCC1	713229989	GAYWRJCQQYYKOO-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CC(C)(C)C(C)C)C1	713230038	QIZJQNUKGFLAAG-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@@](C)(CNC(C)(C)C)C1CC1	713252435	UDZAPTJFLBDWBW-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1CC(C)(C)CC	713263137	JAROOVRPGRBUNR-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CCC1	714476251	QUASVHIWWSNLKX-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
C/C=C/C[C@H](CC)c1ccc(CC)cc1	714549401	CKLMLNGBANTEGZ-GBXSZLQWSA-N	202.341	4.709	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cc(C)cc(C)c1	718724932	XPAXLGIYHIQRPE-UHFFFAOYSA-N	230.351	4.623	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1CC12CCCC2	720989663	LXBFZUSBZDPXJR-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)C[C@H]2CC23CC3)CC1	722833417	NUAOAQCQSGZGOG-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1cccc2ccsc12	723148170	BYELGXXFHVAIFT-ZYHUDNBSSA-N	244.359	4.520	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CC2CC(C)(C)C2)cc1	723553524	SLXJFJBZPNKGNC-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H]1CCCN(C[C@H](C)CC(C)(C)C)C1	1473259678	LIZPBONVBQQOQC-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
Cc1ccc(N(C)C[C@H]2CCCC[C@H]2C)c(C)c1	1559489729	COKLTMQCHVNRIQ-GDBMZVCRSA-N	245.410	4.566	0	10	BJAE	
Cc1ccccc1S[C@@H](C)c1cccc(F)c1	1652615866	GGPVMEHXGOUQAF-LBPRGKRZSA-N	246.350	4.987	0	10	BJAE	
C[C@@H]1CCC[C@H]1N[C@H]1CCCCC12CCCCC2	1875420358	RJIWKCHHWNTULJ-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](N)[C@@H](C)CC=C(C)CCCC(C)C	1900868089	DYMQQTIORSXQAD-GJZGRUSLSA-N	225.420	4.523	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H](C)[C@@H](C)C(C)C	1901618156	OZXZFWITOZLTSF-IHRRRGAJSA-N	226.404	4.700	0	10	BJAE	
Cc1cc(-c2ccc(C(F)(F)F)cc2)cs1	1901899850	ZXHTYZVOBPIOCC-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1cccc(Cl)c1	1905432735	DKQLXZBQWHACQA-RISCZKNCSA-N	239.790	4.556	0	10	BJAE	
CCCCCC[C@H](C[C@@]12CCC[C@@H]1C2)NCC	1908445299	KLDJPAFXZOUOJO-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@H]1CCC2(CCCC2)C1	1916436393	IAXSSFPVNOWARN-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CC(C(=O)CCC2CCCCC2)C1	1921283236	SLZPYIRXTBKLIO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@H](C)C1CCCCC1	1924139481	QHQQWJXQTSYEII-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@H]1C=CCCCC1	1925928475	UUCZKOSOFJDLSY-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1scc([C@H](N)C[C@H]2C=CCCCC2)c1C	1925949705	UIZWTPSSQPCHHC-DZGCQCFKSA-N	249.423	4.501	0	10	BJAE	
CCC(CC)CCN[C@@H](C)c1sccc1C	1926144761	MLOODZPDMCXGLI-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@@](O)(CC)CC1CC1	1939402969	JRQHWQBEZHJCCC-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](C(=O)[C@H]1CCCC[C@H]1C)C(C)C	1941268552	HJBCKAKHPDXHNV-ILXRZTDVSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)CCCCCC1CC1	1941578730	FAVQGXKSGTYUJC-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
O=C(CCCCCC1CC1)C1CCCCCC1	1941587820	WFOJTWDDHINMEE-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@@H](C)[C@]1(CNC(C)(C)C)CCCC1(C)C	1944476002	RZMJGEBZHJUFFS-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](O)CCCC1CCC1	1944617479	CFVNNSIVXQOXCA-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccc([C@H](O)C(C)(C)C(C)C)cc1	1944618691	PPNAQEPCMUWQCO-HNNXBMFYSA-N	234.383	4.526	0	10	BJAE	
C=CC=CCCC(=O)C(C)(C)C1CCCCC1	1944646743	OBPIEWIVPAPLKI-UHFFFAOYSA-N	234.383	4.684	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CC1(C)C)C1CCCCC1	1944743327	CMVSHLYKLAAQGG-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)CC(C)(C)F	1947085401	ZKBIIXLAHHZLLM-CQSZACIVSA-N	243.410	4.629	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cc(C)ccc1F	1947466291	SUDIGAUVKWQGJP-TZMCWYRMSA-N	235.346	4.515	0	10	BJAE	
CC(C)C[C@@H](C(=O)C[C@H]1C=CCCC1)C(C)C	1947558438	JOJZXNQLJYXAMS-LSDHHAIUSA-N	236.399	4.620	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@H](C)C1CC1	1949073909	FJYGACIBZHIVCL-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C[C@@H](N)[C@@H]1CCC(C)(C)C1)C(C)(C)C	1949527832	CIYICFVZFIDMGY-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(Cl)ccc1NCC1CC2(CCC2)C1	1949836742	BOZSYPLRJXDVCK-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CO)CCCC(C)(C)CC1	1950909807	AEODGDGLKFEMAR-ZBFHGGJFSA-N	240.431	4.782	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CCCC(C)(C)C)CC1	1950929497	HPUSFODLONDXSM-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1C(C)=CCC[C@@H]1C	1950968567	LRWCGGLYBMYEGY-KKUMJFAQSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2C=CCCC2)C1	1959891657	WPICFIDTXHICLE-UONOGXRCSA-N	206.373	4.949	0	10	BJAE	
CCC1CCC(c2csc(Cl)c2N)CC1	1960967654	GBXARZQOKURHRQ-UHFFFAOYSA-N	243.803	4.668	0	10	BJAE	
CC1(C)CCC[C@@H](NC2CC3(CCCC3)C2)CC1	1967703347	PLMNFNBXDKWXIR-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](N[C@H]1C[C@@H]2CCCC[C@@H]2C1)C1CCCC1	1967721511	CNIANBZXSVWNBH-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(C)c1NC[C@H]1CCC(C)(C)C1	1968262276	IKEVRWVCJLTZAZ-AWEZNQCLSA-N	245.410	4.796	0	10	BJAE	
Cc1ccc(C)c(O[C@@H]2CCC3(CCCC3)C2)c1	1968307149	FBINRCGQUVBQQP-OAHLLOKOSA-N	244.378	4.795	0	10	BJAE	
Cc1ccc(F)cc1NC1C[C@@H]2CCCC[C@H]2C1	1968312652	OASWKRGXLAQOAX-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCCCC12CCC2	1968312899	SCIOGAHNDPCNHE-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
Cc1cc(F)ccc1NC(CC1CC1)CC1CC1	1968361344	JWZMAAVPKNTAMK-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)c1ccc(C)c(C)c1	1968702345	MSEOOFHIJYSFCB-RDJZCZTQSA-N	247.426	4.923	0	10	BJAE	
CC(C)CCC[C@@H](C)NCC1(C)CC(C)(C)C1	1973670076	FUUUDARVTKLKNQ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](Nc1ccsc1)[C@H]1CCCC(C)(C)C1	1980287793	XFSNPYODNRAMRW-NEPJUHHUSA-N	237.412	4.765	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(O)CCCCCCCC1	1980350714	IRAUXJDRLHHICV-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CC(C)c1cnc([C@@H]2CCCCC23CC3)s1	1981841072	OUGBQIMXKGPXEC-NSHDSACASA-N	235.396	4.704	0	10	BJAE	
C/C=C/CCCC[C@@H](NCCC)C(C)(C)C	1984632327	LKABOGQTCTYZEQ-IZPAUZPXSA-N	225.420	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC(=O)CC(C)(C)C1	1986217991	BBENEUXKBABMSO-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
C[C@H](CC1CCC1)N[C@H](C)C1(C)CCCCC1	1995989135	ULCOVGXWFKLCQB-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)C[C@@H]1CCC=CCCC1	1999997205	WCXGBLKJSZYEIG-ARFHVFGLSA-N	237.431	4.536	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@@H]1CCC=CCCC1	2000003913	LTASTKXJJHDSDK-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](C)CC(=O)C[C@H](C)c1ccccc1	2000190593	PXOHYRBBEPWUMP-KGLIPLIRSA-N	232.367	4.576	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CCCC1CCC1	2000195074	MJYTXLNQSQCUDL-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@](C)(CCCC)CNC1CC1	2000509396	OSLQWODRIGRLQC-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@@](C)(CC[C@H]1CC1(C)C)CNCC	2000512470	RVEQQIKKOMBWNP-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)C[C@H]1CC12CCCCC2	2001261957	JRNSVYZBADLLRA-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC([C@@H](C)[C@@H](CC)NCC)CC1	2002922418	YLDDYDXDHCUXSU-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](N)(CC)CC1CCC2(CC1)CC2	2003213883	JDQFZPMSDRNVCP-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H](CC)C(C)(F)F	2004475637	GPZJRMAMIITRNF-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](C)C[C@@H](NCCC)C1	2009615782	BWDLEJMKSXXDHL-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(N[C@H](C)[C@@H](C)CC(C)C)C1	2009716720	YGEHTCOTTVHCBC-QRNKSROTSA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](O)(C[C@@H](C)C(C)C)C1	2015283589	GBOCDTVILNXUJK-PMPSAXMXSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@@H](NC)C(C)(CC)CC)CCC1	2015634987	MULMCJUJKOONNY-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@]2(C(C)(C)C)CCCN2)CCC1	2015641439	FFLGQDFHZCWJCS-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1c(C)cccc1F	2016142817	BMDOAICRVHXENP-ZDUSSCGKSA-N	235.346	4.681	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccc(F)c(F)c1	2016150707	XIAQZBVFYQFVNY-LLVKDONJSA-N	239.309	4.512	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CCCC1(CC)CC	2019200390	OMPWFKAQWWVPBI-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CCC(CC)N(C)C1CCC2(CCCC2)CC1	2019305931	PPHWVAUROXLRAD-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC1(O)CCCCCCC1	2022452438	XALGSTXIIKINRZ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CC[C@@H]1CCCC(C)(C)C1)CC(C)C	2024094902	NLHJLMYYQSEVPM-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)c1ccccc1	2027816762	XXXFEBVZWWHHHJ-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
C[C@@H](CCC[C@@H]1CC1(C)C)C(=O)c1ccccc1	2027840592	RWIGTBQJUMJNNO-DZGCQCFKSA-N	244.378	4.722	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@H]1CCCC2(CC2)C1	2027856057	UUQBUZRJAAKEDM-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)CC(=O)c1cccc(C2(C)CC2)c1	2028553157	WJLLKZOJWOTTFA-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCCN[C@@H](C=Cc1ccccc1)C[C@H](C)CC	2028574642	ZGRMVFZHPNWHBT-WBVHZDCISA-N	245.410	4.504	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)[C@@H]1CC12CCC2	2032131910	MNDQCORVTGOFDS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N(C)C[C@H]1C=CCCCC1	2036778104	CDJMFKPSXNHWFZ-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@@H](N)CC2(C)CCCCC2)C1	2037198565	HFJRKHPNVRGKGX-IMJJTQAJSA-N	249.442	4.667	0	10	BJAE	
C1CCC(CCNC[C@H]2CC23CCCCC3)CC1	2039057218	CXGOOXXBDNUKOM-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)[C@@H]1CC12CCCCC2	2039090973	GOQRPBHWDGIQDE-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](N)[C@H]2CCC[C@@H](C)CC2)c1C	2039369334	IOSKPQKVZMZABG-ISTRZQFTSA-N	245.410	4.520	0	10	BJAE	
CCNC[C@]1([C@@H]2CCC[C@H](CC)C2)CC=CCC1	2042088867	JTUOJJGWYVHAGL-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C[C@H]1C=CCCC1	2042748638	YWLHTWNNLSICCJ-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@H](N[C@H]1[C@@H](C)[C@H]1C)c1ccccc1	2043300149	FXVSXSRTMWDKPK-YALNPMBYSA-N	245.410	4.552	0	10	BJAE	
C[C@H](NC1CCC2(CCC2)CC1)C1CC(C)(C)C1	2043549957	KYCUKVSGARCHNS-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(C)(C)C1N[C@@H]1CCC2(CCC2)C1	2043604600	JLCWQSWCUIOZQO-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CCC2=CCCCC2)C1	2045556316	WFNLAPBARIGDLZ-CJNGLKHVSA-N	246.394	4.829	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC12CCCCC2)C1CCC1	2047016910	RVLZXBXTWGUXSV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@@H]1CC12CCCCC2)CC1CCCC1	2047017877	YRCYFTVBWSYVES-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1(C(=O)C[C@H]2CC23CCCCC3)CCCCC1	2047060797	AGGNFLJLPKGEKR-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047439078	XJBDSBHNNQSSIF-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
CC1(CNc2cccc(C3(C)CC3)c2)CC=CC1	2047730150	WWVQHNBTKHBAJA-UHFFFAOYSA-N	241.378	4.506	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@H]2[C@H]3CCCCC[C@H]32)C1	2048366804	UBRGHZBYGMZPRN-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC1CCC([C@@H](N)C[C@H]2CCCC3(CC3)C2)CC1	2049859674	QWQOMHYEQWEPRH-KNIAUWFNSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC[C@]1(C)C=CCC1	2049985065	UYHKIDVVMJJFCK-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CN[C@H]([C@H]1CCCC(C)(C)C1)[C@]1(C)C=CCCC1	2049999803	GZUSKNZDLXOQMU-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CC(=O)c1cccc(F)c1	2050494732	LVJAIHXDLSIMAR-QWHCGFSZSA-N	248.341	4.615	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCC[C@@H]3CC[C@H]32)cc1	2052285824	CUXLQDXQDJKNEN-DJIMGWMZSA-N	243.394	4.801	0	10	BJAE	
C[C@@H](N(C)[C@@H]1CCC2(CCCC2)C1)C1(C)CCC1	2052333015	YUGSEDWEHROKIL-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CCNC[C@@]1(C2CCCCC2)CCCCC12CC2	2053360440	VHBPYDUTZMJFRV-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@@H]1CCCCC12CCC2	2053414917	DHITXKXENMYHHG-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](c2cccc(C(C)C)c2)C1	2055127943	IYICOQPSTXMRPO-XJKSGUPXSA-N	244.378	4.673	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)CC1CCCCCC1	2056878247	IMNGSHOCFBUKIL-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C1(CC)CCC1	2056878700	MWAGEOGRAVQZDX-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C[C@@H](C[C@H]1CCC2(CCC2)NC1)C1CCCCC1	2057367107	OTUHTAKCJXLSFR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@]3(C(C)C)C[C@H]23)c(C)c1	2058561198	BRLJEFKHTLSNOU-DJIMGWMZSA-N	243.394	4.540	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1ccc(F)cc1C	2059249910	LTUMXZXRDOQXQH-NBUZRDOWSA-N	249.373	4.531	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CC[C@H]2C[C@H]2CC1	2059251886	COQHTACPZXHUAS-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCC)CCCCC12CC2	2059258744	JENGRQJNTNZCOL-RCFWFJCLSA-N	249.442	4.683	0	10	BJAE	
CCCC1([C@@H](NC)C2=CC[C@H](C(C)C)CC2)CC1	2061084458	JWZDXQDPGXPZRT-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CC(N)(C2=CC[C@@H](C(C)C)CC2)C1	2061118990	LLRFAFQYHYKGPL-ISXOHVOVSA-N	249.442	4.667	0	10	BJAE	
CC[C@H](NCC[C@@]12CCC[C@H]1C2)C1CCCCC1	2061573542	YOWPAYUJFJUCGF-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CC1CC(=C2CCC2)C1	2061704888	WJFXWJYCOLIUMP-IAGOWNOFSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CC2C[C@H]3CCC[C@@H]3C2)CC1	2063416953	BTSLOIXJBGEEQG-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CC[C@@](N)(CCC1CCCCC1)c1occc1C	2063681098	OKYVUBJTKSKZNV-MRXNPFEDSA-N	249.398	4.513	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C23CCCC2CCC3)C1	2063853839	YGPBCDFMMKMSDD-JPQBHMHHSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)CC12CCC(CC1)CC2	2065304686	CKTIZSHKFPZXJU-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CN[C@H]1CCCCCC[C@H]1CC12CCC(CC1)C2	2065336719	FGNVPSFZJYUDBR-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2ccc(C(C)(C)C)cc2)N1	2066375466	KTXSJZPGRDSUPW-CVEARBPZSA-N	245.410	4.577	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CCC1(C)C	2068241512	DEWPJLSXMBWOKB-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068711219	QZWNJWWYMKQSMX-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](N)C2CC(C3CCC3)C2)CCC1	2069281124	SQWDXZDYGQIGIB-UYSNPLJNSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C2(CC3CC3)CCC2)C1	2069507778	VVSRPNZREGIGHL-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(CC(=O)C2CC[C@@H]3C[C@H]3CC2)CCC1	2071913076	MWURGFFNSDLNEG-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)C1(C(C)(C)C)CCC1	2071931520	AZUGFIJSIQMKQC-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H]2C=CCCCC2)CC1	2075370067	KLOPRYZXOZZHJG-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCC1(C[C@@H](N)[C@H]2C[C@H]2C2CCCCCC2)CC1	2079782894	YGLOLBYFRAKMCM-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C[C@@H]2C2CCCCC2)CCCC1	2079837873	CVVJFVNUHVQSDY-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CC1CC(C)(C(=O)C[C@@H]2C[C@@H]2C2CCCCC2)C1	2079843613	ROCJJDPCCNHCSP-WSYIQSFVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2083019165	ZWKAMWBPTPNKDK-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H](CCC2(F)CCC2)Nc2ccccc21	2084766030	BASUEQHQKCJHKD-OLZOCXBDSA-N	247.357	4.647	0	10	BJAE	
CCCCC[C@H](CC)Oc1ccccc1C(C)=O	2086295722	OUCQFKYKFKUITA-AWEZNQCLSA-N	248.366	4.627	0	10	BJAE	
c1cc2c(C3CCCCC3)coc2c2c1CCC2	2086720686	QAKHXOVSAZMAKL-UHFFFAOYSA-N	240.346	4.969	0	10	BJAE	
CCC(CC)C[C@@](C)(CC)CN[C@@H](C)CC	2212584051	LSYWEGTVSITZIV-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
FC1(F)CCC[C@H](CC=Cc2ccccc2)C1	2213825496	URRWSYZPAPHLBU-AWEZNQCLSA-N	236.305	4.915	0	10	BJAE	
CCC(CC)(CC)[C@@H](CCCCC1CC1)NC	2214582670	NBEOKKYUMXCKFL-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H](C)CC(C)C)CC1	2215824912	YMLYPLPBCJJAQJ-GOEBONIOSA-N	236.399	4.764	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218330122	FDQRJJXFCVKKOQ-ORIJERBGSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC1CC(CC2CC2)C1	2218464059	WXHHZZDEHINYID-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)[C@H](C/C=C/c1ccccc1)NC	2219083278	CPZJVKQBUXYXHS-IQUZECRKSA-N	245.410	4.504	0	10	BJAE	
CCC(CC)(CC)CNc1c(C)cccc1OC	2220299619	FQUWWQCANBGVGI-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@@H]1CC[C@@H]1C	2220521409	MYSDACFRCDJUJA-LXZKKBNFSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@H]1CCCCC12CCC2	2220964231	WHSAPNZNZBJTIJ-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CN[C@H]1CCCCC[C@H]1CC1(C)CC2(CCC2)C1	2221039411	JADMNUSTOWUIBH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1c(C)cccc1C)[C@H](C)C(C)(C)C	2221997312	USANUWDHODHJHX-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C[C@@H]2C=CCCC2)C1	2222253387	ZICCBHGTNVAACF-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1ccc(C2CCC2)cc1	2223681258	NILZMNILQSHXOX-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
C[C@H](CCCCN)CC[C@@H]1CCCCC12CC2	2246634818	UPXXAQFVXFEJMX-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1(CO)CCCCC1	2247111943	IICVRKBHVDFQIW-HUUCEWRRSA-N	238.415	4.536	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H]1CCC1(C)C	2247387377	RNTMBJNOEOLJEJ-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCc1ccccc1NCC1=CCCCC1	2247500159	YAKYTSIYLMGLRB-UHFFFAOYSA-N	229.367	4.551	0	10	BJAE	
CC(C)CC[C@](C)(O)CC[C@@H]1CCCC12CC2	2247622261	NIEYJCUPMIDRDT-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)CCCCC[C@H]1C[C@H]1C	2248845277	PQGSXPRQBPYEPG-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCCC[C@H]2C[C@H]2C)C1=O	2248880913	VHWHWODTUPSGCC-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC[C@@H]1CCCC12CC2	2250366967	NQOMSRQAPHXSSX-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CCC[C@H](O)C1CC(CC(C)(C)C)C1	2251535358	MTUCBYHHXVULJV-NRXISQOPSA-N	238.415	4.556	0	10	BJAE	
CCCCCN(C)[C@@H]1CC(C)(C)CCC1(C)C	2251706316	CGTCXQDVBVBNHD-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCN(CC(C)C)C[C@@H](C)CC(C)C	2252640104	PTNKTCKAQSDISR-INIZCTEOSA-N	241.463	4.673	0	10	BJAE	
C[C@@H](CC1CCC1)NCC[C@@H]1CCCCC12CC2	2253883254	HTTQGRDDCFEKKY-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CC1CC2(CCCC2)C1	2254114112	LFJPGULNNBVLCT-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc2c1N[C@@H](C[C@H]1CCC1(C)C)CC2	2255029937	VOPXXAGFSNCRSG-HUUCEWRRSA-N	243.394	4.548	0	10	BJAE	
O=C(CCC[C@H]1CCCC12CC2)CC1CCCC1	2255257208	CLJPVWAVTOBJEZ-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCCC12CC2)CC1(C)CC1	2255284921	CVOPNLIVOWGOEY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)Oc1ccc(C(C)=O)c(C)c1	2258887959	XXSLCQUDQRAFRX-CQSZACIVSA-N	248.366	4.545	0	10	BJAE	
CC(C)[C@H](Nc1cc(C2CC2)ccc1F)C1CC1	2259129935	AVMPMLSJTPKKIM-INIZCTEOSA-N	247.357	4.550	0	10	BJAE	
FC1CCC(Nc2ccccc2C2CCC2)CC1	2259149022	KYFCJPDPCPCRMN-UHFFFAOYSA-N	247.357	4.647	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cccc(C2CCC2)c1	2259445017	SNDDESWEKVHCRY-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
C1CCCC(CN[C@]23CCCC[C@@H]2CC3)CCC1	2260554803	JSFQBJAVWJMACX-SJORKVTESA-N	249.442	4.659	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@]23CCC[C@@H]2CC3)CC1	2260587306	MFJUSMUYSXAGIJ-VYKNEJCXSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@]12CCC[C@H]1CC2)C1(C)CCCCC1	2260589223	WYAZEXVUDCSWLB-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@]1(CN[C@@H](C)CC)C[C@@H]1C	2300687886	HMEPCBGWVUJCDM-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC=C(C)CC)NCC	2300873433	ZTRBXTWPXKULOK-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CC(=CCn1cc(C)cc1C)CCCC(C)C	2300890277	ZKHSMUFCAZGUHQ-UHFFFAOYSA-N	233.399	4.878	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@@H](C)[C@@H](C)C(C)C	2301841099	SKASFUJLGZGCSE-HRCADAONSA-N	241.463	4.721	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H]1CCNc2ccccc21	2301930370	HNZYEUWAWLFDJA-IHRRRGAJSA-N	231.383	4.514	0	10	BJAE	
C/C=C/CCC[C@@H](CCC1=CCCCC1)NC	2301945716	OHZKGNXBYJZELL-CWDCEQMOSA-N	235.415	4.601	0	10	BJAE	
CCC1(CC)CCN([C@H](C)[C@@H](C)C(C)C)CC1	2301966170	AFWGGANBFMITLN-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
Cc1sccc1-c1ccc2c(c1)CC(C)(C)C2	2302245696	VGWPYRGZRXGSNH-UHFFFAOYSA-N	242.387	4.848	0	10	BJAE	
CC[C@@H]1CC[C@H](c2nc(CC3CCC3)cs2)C1	2302254698	PHLGJSXHPXSZHQ-YPMHNXCESA-N	249.423	4.779	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CCCC2=CCCCC2)C1	2302332033	RFRUGQLJAVACLX-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
CCN(CCCC1=CCCCC1)[C@H](C)C(C)C	2302361541	OLIIMTQCDNGQRD-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H](C)CCCC(C)C)CC1	2303603464	SVNLQRKDFUHZDL-JKSUJKDBSA-N	237.431	4.680	0	10	BJAE	
CC(C)CC[C@](C)(O)CC[C@H]1CCC(C)(C)C1	2304351477	HYYBBURJZLKFKT-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@H](CCC2CCC(C)(N)CC2)C1	2304445227	AAYWHNKXQNYQJD-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)CCNc1cccc(C(C)C)c1F	2307569701	GZVWWJYOYHJRAI-LBPRGKRZSA-N	237.362	4.797	0	10	BJAE	
CCC[C@H](CC)CN1CC[C@@H](CC(C)(C)C)C1	2307747873	UEAYKFZNLMKOHQ-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)CN(C)CCCCC(C)(F)F	2307751406	GNTNUBPXYMGMJA-CYBMUJFWSA-N	249.389	4.570	0	10	BJAE	
CC1(C(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CCCCCCC1	2309539920	IYEFGWVXAJMHKD-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)C[C@@H]1CCCCC12CC2	2312661969	CXGUNFLIPJXLDT-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@@]12CCCC[C@@H]1CC2	2313291675	AUIFYQXVNSJEIV-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)[C@@H](C)CC1CC1	2313642541	STKWRHJYPSKIKT-ZDUSSCGKSA-N	244.378	4.504	0	10	BJAE	
CCc1ccccc1OC(CC1CC1)CC1CC1	2313665778	DPFYDBQCFCXUHS-UHFFFAOYSA-N	244.378	4.597	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1CC=CCC1)CCCC(C)C	2316500927	AXQKVJMCCFFYRQ-SJORKVTESA-N	249.442	4.833	0	10	BJAE	
CCC(C)=CC[C@@H](NC)c1cccc(C2CC2)c1	2316511243	ZGPPSVMRIVYQBT-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@@H]1CCC[C@H]2C[C@@H]12	2316542706	SLADLOWMHSPRLW-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCC[C@@H]2C[C@H]21	2317914281	ALGYCFXNUZZGER-KCPJHIHWSA-N	247.357	4.550	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C[C@@]12CCC[C@@H]1CC2	2317973736	FOPDPVBYHMLZOA-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@H]1CCC[C@H]1C	2318576130	MEWLAKQAHIEOBP-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1CC2(C1)CC(C[C@H](N)CCCCC1CC1)C2	2318873521	AGPKNZNDXILTDX-XOJNLIDHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(N)CCC[C@H](C3CC3)C2)C1	2319318643	RPAGEXYKSAHARX-QRTARXTBSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](O)[C@H](c1ccccc1)C1CCCC1	2319597450	NAWBAGRDCVISMX-IAGOWNOFSA-N	246.394	4.512	0	10	BJAE	
C[C@](N)(CC[C@@H]1CC[C@H]1C1CC1)C1CCCCC1	2319738976	RIZNYITUKSPMMN-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CCC[C@@H]2CC(C)C)CC1	2320338383	VCMBEBHQFVGWFQ-DLBZAZTESA-N	249.442	4.633	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CC(C)(C)[C@H]2C)c1	2320567490	KMUAXHRQWREAGN-WFASDCNBSA-N	244.378	4.675	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C2[C@@H]3CCCC[C@@H]23)C1	2321614120	RRGAYQBRBLLACT-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CNCCC1=CC[C@H]1CCC(C)(C)C1	2321634625	UCUVKOGNAUJYPD-HOCLYGCPSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H]1[C@H](CCC)Cc2ccccc2N1C	5309808	QQIPKPMNDCNWQY-GDBMZVCRSA-N	245.410	4.654	0	10	BJAE	
C[C@H]1C[C@H](NCCC2=CCCCC2)CC(C)(C)C1	20019247	QULRVXSSRLALPA-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@H](C)NC1CCC(CCC)CC1	35135708	WUTCHCGIVYNKDX-QQFBHYJXSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](NCC)c1ccc(C(C)(C)C)cc1	35548253	SNJAOVJQLNNGGH-INIZCTEOSA-N	247.426	4.825	0	10	BJAE	
CCCc1ccccc1N[C@H](C)CCC(C)C	36974450	JHVYEZDYXYOCGD-CQSZACIVSA-N	233.399	4.876	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](c1ccccc1)C1CC1	37075033	GJUJCADKUHJZQC-PBHICJAKSA-N	245.410	4.696	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)c1ccsc1	50343173	YZURWOZYLBYZTJ-OLZOCXBDSA-N	239.428	4.758	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)c1cccs1	71084822	LDBQGZWYFMKKQG-OCCSQVGLSA-N	240.412	4.562	0	10	BJAE	
CCCCC[C@H](C)NCC1CCCCCC1	84328600	VLLLZDWZQIXQQQ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCC[C@H](C)CC2)c1	86880663	LRUYTTNATUQTLJ-WCQYABFASA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(C)c(F)c2)CC1	86893957	XVBYCVLOHXRDHE-ZIAGYGMSSA-N	249.373	4.905	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCC[C@H](C(C)C)CC1	86946068	AAAPCTQLBOZCMY-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](NCC)c1cc2ccc(C)c(C)c2o1	88074342	QDXNWNNJGVCJFD-AWEZNQCLSA-N	245.366	4.500	0	10	BJAE	
CCOc1cccc(-c2c(C)cccc2Cl)c1	90535278	GRBTUQNVHWUBLQ-UHFFFAOYSA-N	246.737	4.714	0	10	BJAE	
CC(C)(C)C(=O)CC[C@@H]1CCCc2ccccc21	93121525	AOOSRMITVXFYJQ-AWEZNQCLSA-N	244.378	4.502	0	10	BJAE	
C/C=C\C[C@H](C)c1ccc(CCC)cc1	107477430	PXDUODYVMOUVBR-AGLBCWCQSA-N	202.341	4.709	0	10	BJAE	
CCc1ccc([C@@H](O)C[C@H](C)CC(C)(C)C)cc1	109788089	IADMJCWDQHNBPA-BBRMVZONSA-N	248.410	4.745	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(OC(C)C)cc1C	109912166	RAXVFRDWQDCGDE-AWEZNQCLSA-N	249.398	4.773	0	10	BJAE	
CC(C)CCC1(CNC(C)(C)C)CCCCC1	110200824	LKBAILXJVQDJSD-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCNCC1(CC)CCC(C(C)(C)C)CC1	110449539	PVELGAAAPJGEOS-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCc1cccc([C@@H](C[C@H](C)CC)NCC)c1	131576494	ZEBPKOJRRJRHEP-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H](C)c1csc(Cc2cccc(C)c2)n1	132221385	UAHWCUIUPLIVJE-GFCCVEGCSA-N	245.391	4.556	0	10	BJAE	
CCC(CC)C[C@]1(N)C[C@@H](C)CC[C@@H]1C(C)C	147955190	DZHBLJPPCKLRLF-NUEKZKHPSA-N	239.447	4.602	0	10	BJAE	
O[C@H](CC1CCCC1)c1ccc(C2CCC2)cc1	159281462	IXTYIAFHBKHWEL-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CC(C)CNC[C@@]1(C2=CCCCC2)CCC[C@@H]1C	161466652	DYPRDCNREWUQGG-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)CCC(C)(C)C	163346635	YHRZTELMJZPTOU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(O)C1CCCCCC1	167670548	PTNBTNAQCLJECD-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H](C)c2ccccc21)C(C)C	228128979	SPVFMDXRSRIRIX-XOKHGSTOSA-N	245.410	4.649	0	10	BJAE	
CCCC[C@@H](CC)Nc1cc(F)ccc1Cl	231812391	KVJKWGROKMRIRL-LLVKDONJSA-N	243.753	4.860	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCC[C@H](C)C2)c1	232230661	IHPBSOUNSRVZLG-CMPLNLGQSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc2c(c1)[C@H]([C@H](C)C1CCCCC1)CN2	235396579	QGWCWQZFWNCPKT-CJNGLKHVSA-N	243.394	4.721	0	10	BJAE	
Clc1cccc2c(CC3CCCCC3)c[nH]c12	236070735	USSQBCDAVKKUIW-UHFFFAOYSA-N	247.769	4.944	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2C[C@H]3CC[C@H]2C3)CC1	251205238	WAMHSZDAILXUFM-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CC[C@]1(C)Nc2cc(Cl)ccc2[C@H](C)[C@H]1C	258080431	HIPOMCBDXBVEAE-RULNRJAQSA-N	237.774	4.674	0	10	BJAE	
CC(C)c1ccc(C(C)C)c([C@]2(C)CCCN2)c1	258453771	ZBLTZAYZACIMKW-KRWDZBQOSA-N	245.410	4.532	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)C1CCCCCCC1	302254732	ARWMZMJOYPGEQP-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC1([C@H](N)CCC2CCCCC2)CCCCC1	302271356	RGIFTVHZQZQRKE-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)c1ccc(C)cc1C	302412739	QAEDAMXOCKTOMA-PBHICJAKSA-N	247.426	4.780	0	10	BJAE	
CC(C)C[C@H](C)[C@H](CN)c1ccc(C(C)C)cc1	302531369	GPTDQHBAYPLDCX-YOEHRIQHSA-N	247.426	4.535	0	10	BJAE	
Cc1ccccc1N[C@@H](C)CCC(C)(C)C	304455766	YUVVVOTZYUYLCQ-ZDUSSCGKSA-N	219.372	4.622	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)c1c(C)cccc1C	305951604	NCMRTMKXPXZARV-XJKSGUPXSA-N	247.426	4.636	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(CC)c(CC)c1	305956580	DSUNONSYQOAMSH-CYBMUJFWSA-N	246.394	4.820	0	10	BJAE	
CCc1cccc2c(SC)c(Cl)sc12	307295789	PESFRHXHVJBDQL-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
C/C(=C/[C@H](C)C1CCCCC1)CNC(C)(C)C	310390521	GAFUQSNJPQXWBG-FZDNWWAKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C[C@H]1CCC[C@@H](C)C1)NCCC	310458754	XJZNTVNDGTURCA-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1NC[C@H](C)C1CCCCC1	310467788	HKVFPAWHSLLITL-AWEZNQCLSA-N	231.383	4.623	0	10	BJAE	
Cc1ccccc1[C@H]1C[C@H](C)c2ccccc2N1	310828263	YKERNMXTGOMKIC-SUMWQHHRSA-N	237.346	4.655	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)c1ccc(C)cc1C	310894990	AAYCAIHOKAFEAH-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)c1cc(C)ccc1C	311184045	BHRXPAVTUWKMIE-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC(C)CCCCC[C@@]1(C)CCC[C@]1(C)O	313158203	VDZTUEUYHGGVCC-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](N[C@@H](CCC)C1CC1)C1CCCC1	313421001	DJXGADUSRSEWEB-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)CC1(CNCC)CCC(C)CC1	316972955	GIUUYIBVQFZUAU-HWOWSKLDSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@H]2CCC[C@H]2N1	383412270	XIIQPHHEIIVJRN-BZUAXINKSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H](C)c1cc(C)cc(C)c1	388594633	NLLFFWKZAUFODF-BFYDXBDKSA-N	245.410	4.533	0	10	BJAE	
C[C@@H]1CC[C@H]2[C@H](C1)C(C)(C)CCC2(C)C	389490802	BWPHCHITVFALRH-AGIUHOORSA-N	208.389	4.885	0	10	BJAE	
CC1CCC(C[C@H](N)CCC2CCCC2)CC1	393837462	OXCJWOQFQMBLKA-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CCCCNC(C)(C)C)C1CCCCC1	393847252	RFJFWDSAKILSBK-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@H](NCCCCCC(C)C)[C@H]1C	394770056	TWANIRSFIVMCPS-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCNCC[C@@H](C)CCCCCC(C)C	394814909	MSIOOFVFQBWMMT-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCC(CC)(CC)[C@@H]1CCN[C@@H]1c1ccccc1	395171684	DDJXHFYFNXJKAQ-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](Nc1ccc(C)cc1F)[C@@H]1CC1(C)C	397792089	QGQJBIRMWJOIHA-JSGCOSHPSA-N	249.373	4.761	0	10	BJAE	
C[C@H](C[C@H](O)CCC1CCCCC1)C1CCC1	398516878	KOKFZYLGIFGDHG-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CNC[C@]1(CC2=CCCC2)CCC[C@H]1C	401095993	FGBYDYHMMDTPPR-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@H]1CC[C@H](CC)C1	402167020	SAPXTOZLKWVRSU-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C[C@H]1CC=CCC1	402192454	ADOILGJQGDVXIR-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](SCCCF)c1ccc(F)cc1F	532201717	BPFWGOWUSOAIPX-GFCCVEGCSA-N	248.313	4.509	0	10	BJAE	
CCCC1([C@@H](O)CCC(C)(C)CC)CCC1	686921614	JMUSPBFKUOHTKM-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H](C)[C@H](CC(C)C)NCC	695072716	ZOHVHHXUDRXVGF-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC[C@@H]1CCCC2(CC2)C1	695695997	ZFTWQTNYLIOBEA-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)CC1CCCCC1	696705427	NCCZNWUOHZSNIM-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](CNCC)C1CCCCC1	696853204	GOOQYKKNHVSJAP-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C(C)(C)CC)CC1	700914870	SRAYEGUTWHWIRV-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCNC[C@@H](CC(C)(CC)CC)c1ccccc1	701143251	BWBSNXQKMHEIFR-MRXNPFEDSA-N	247.426	4.596	0	10	BJAE	
CCc1ccc(NCCCCC(C)C)cc1C	703998343	NVXAPLLHIZTPBX-UHFFFAOYSA-N	233.399	4.796	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1n1ccc2ccc(F)cc21	704960016	SQXBIDAAPNAFNS-RISCZKNCSA-N	231.314	4.532	0	10	BJAE	
CCCC1CCC(NCC[C@H]2CC=CCC2)CC1	706868397	LQKHAMUYXXHDOE-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
C[C@](O)(C1=CCCCCCC1)[C@]12CCCC[C@@H]1C2	709257402	WXKAMDZWGRIVCW-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
CC[C@](C)(CNCC(C)C)C[C@H](C)C(C)(C)C	711185272	VLPVPRPEPGOIJO-HOCLYGCPSA-N	241.463	4.721	0	10	BJAE	
CC[C@](C)(CNCC(C)C)C[C@@H](C)C(C)(C)C	711185273	VLPVPRPEPGOIJO-ZBFHGGJFSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H](C2CCCC2)C2CCC2)C1	711834900	ZBTBGTYRLPWUEZ-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@@]1(C)CC1(C)C	713131467	QSRPGKOMPBKGAT-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](CC(C)(C)C)NCC	713217890	RXNPQHSRUQDNPG-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
C=C/C=C/CC[C@@H]1C[C@H](C(C)(C)C)CCC1=O	713674031	NPEBWOYBZZLTHX-JLVOYYQZSA-N	234.383	4.540	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)C1C(C)(C)C1(C)C	713765036	UVQZJZRCHHYBLE-CMUBDUJZSA-N	249.442	4.559	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(CO)CCC=CCC1	718058887	QOPKTSGPHJAWNQ-CQSZACIVSA-N	238.415	4.558	0	10	BJAE	
CCCC[C@@](CC)(CCC(C)=C(C)C)C(=O)O	718662467	SYBGRVRGPBGFMI-HNNXBMFYSA-N	240.387	4.794	0	10	BJAE	
CC(C)=C(C)CCc1ccc(Cl)cc1C	718694321	SRUBXRKSFABXOE-UHFFFAOYSA-N	222.759	4.937	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CCC(F)(F)CC1	718729543	LNSYYNMIIGFZBF-UHFFFAOYSA-N	244.325	4.518	0	10	BJAE	
CC1CCC(N[C@H]2CCCCCC2(C)C)CC1	719285529	JYNZRFIPMGYGEA-NRXISQOPSA-N	237.431	4.514	0	10	BJAE	
CCSc1cccc(NCCCCC2CC2)c1	720124676	UHTRNEMICDSGRD-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1ccc2sccc2c1	723150220	ZKYVXTRWPDKTMC-ZWNOBZJWSA-N	244.359	4.520	0	10	BJAE	
CC(C)=CCC/C(C)=C/C[C@@H](C)/C(C)=C/CO	1535405662	STLRNDLGNUYBKN-DGRSMZPJSA-N	236.399	4.644	0	10	BJAE	
CCCC1CCC(CNC[C@@H]2CC=CCC2)CC1	1560297882	RPGJINIPLVRSMI-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC[C@H](CC)CCC)C(C)C	1905453756	MHHHJMDWKVOLKK-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C=C(CN)C1CCCCC1	1911793804	QLJWPYAGHQIAJG-HOCLYGCPSA-N	249.442	4.668	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(N)CC2(CCCC2)C1	1912690283	BETPWVNHLZVFST-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@](C)(O)c1coc2ccccc12	1919949012	QNJFQMKPOMTWBQ-MRXNPFEDSA-N	246.350	4.611	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@@H](C)c1ccccc1	1919996266	CGWDAOQFRFJSNW-UXLLHSPISA-N	248.410	4.758	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H](C)CCC(C)C	1920202804	MLWDVLUPLMXODA-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CCCCCC[C@@](C)(N)c1ccccc1CCC	1920205248	WDTWXWOTNHCLQT-QGZVFWFLSA-N	247.426	4.783	0	10	BJAE	
CC(C)=CCC[C@H](O)[C@@H](c1ccccc1)C(C)C	1921292100	LFEBVRIIBXIPON-DLBZAZTESA-N	246.394	4.534	0	10	BJAE	
CCC[C@@H](C(=O)C[C@H]1C=CCCCC1)C(C)C	1925774233	LQSHUNFUPXZEFY-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@H]1CCC[C@@H]1C	1926189216	LZYDRPQXBBOUQX-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)CC1(CC)CCC1)C(C)C	1936205825	FDTACBVPCOAGEQ-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC1(C[C@@H](O)C(C)(C)C(C)(C)C)CCCCC1	1940411404	WFJBEUOEUHDZQA-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CCC1(C)CC1)NC	1940789686	FNOXPAXSCMCMKZ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC1([C@@H](CCCC2(C)CC2)NCC)CC1	1940872858	ADLIYKROXHLVKS-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(F)c1ccc(N)cc1	1940969155	XIFPSWUYTDJCOW-HNNXBMFYSA-N	237.362	4.526	0	10	BJAE	
O[C@@H](CCCCCC1CC1)CCC1CCCC1	1941574346	ZWINPSXWIKJWEH-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CC[C@H]2C[C@@H]2CC1	1941873400	RGFIMKGBTGDUEA-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)[C@@H](C)CCC(C)C	1942655617	JOBRSCRCCNWPEV-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H](C)CCC(C)C	1942658513	HIVXQDWUPAGKIA-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CC(CCC[C@H](N)C(C)(C)C)C[C@H](C)C1	1944206291	XKBUDARBRXEPQD-NFAWXSAZSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC(=O)[C@]12CCCC[C@@H]1CCC2	1944237715	DXBLCDGQYALKCD-CJNGLKHVSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@](O)(C[C@@H]1CCC[C@H]1C)C1CCCC1	1944870487	XFZHDSODNWPRPV-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CCC[C@H](NC2CC(CC)C2)CC1	1947035955	VRKOIJYLQDTZDY-PYBGIAKNSA-N	237.431	4.514	0	10	BJAE	
CSc1cccc(N[C@H]2CCC[C@H]2C(C)C)c1	1947463293	DSABBIFJFKAQOE-GJZGRUSLSA-N	249.423	4.645	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)NCC1CCCCCC1	1948326419	JEZZXNMDUVVPTK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](C)[C@H](C)CC(C)C)c1	1948327149	OMKBZYYROUCVMZ-OLZOCXBDSA-N	237.362	4.617	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1CCC(C)(C)C	1949113190	VXDVVXKOAGKTBZ-OLZOCXBDSA-N	231.383	4.658	0	10	BJAE	
CC(C)(C)CC1(N)CC2(CCC(C)(C)CC2)C1	1950543921	JSEVKCVQKOBEBC-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)CC1(CO)CCC(C)(C)CC1	1950917324	NGAPYCSLZYEPBU-CQSZACIVSA-N	240.431	4.638	0	10	BJAE	
CC(C)CCCC(=O)[C@H]1CCCC(C)(C)CC1	1950917849	HVHRXAXSKUSOND-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H]1CCC[C@@H](C)CC1	1950923322	FUCRTPIDPUJCCG-KBMXLJTQSA-N	237.431	4.667	0	10	BJAE	
C1CCCC(N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)CC1	1965858868	APSPWSHVCSHASN-SCAQPMJSSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2C[C@@H]3CCCCC[C@H]3C2)C1	1966072318	MEEBTKSWBYMCQR-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(N[C@H]2CCCCC23CCC3)c1	1968340239	VGSIGQUCJTULGH-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
Cc1cc(F)ccc1NC1CCC2(CCC2)CC1	1968367074	RVBPPOQMRWPEGA-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2C[C@@H]3CCCC[C@@H]3C2)C1	1970280849	LAXDDIDGDHENBH-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(CN[C@@H]2CCC3(CCC3)C2)CC1	1971456299	FGFAMRPPPNDRJF-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1CCC[C@H](CC)CC1	1976342467	NZTJJZOEFWKDOV-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1csc(C(F)F)c1	1978582108	HNYDKYCFDILFLW-KCJUWKMLSA-N	247.354	4.512	0	10	BJAE	
CCC[C@@H](C)CC1(O)CCC(C)(CC)CC1	1981065412	JJQICFRRBFBRKB-WLYUNCDWSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H]1n1ccc2cccc(Cl)c21	1982612744	QKOJFPFULPGBKT-GWCFXTLKSA-N	233.742	4.656	0	10	BJAE	
C/C=C/CCCC[C@H](O)c1cccc(Cl)c1	1984607861	RAWSOYHCJPZKAX-HSWBROFVSA-N	238.758	4.510	0	10	BJAE	
FC1(F)CC=C(CC2CC(=C3CC3)C2)CC1	1985506716	HPVDDAAPWAAVEI-UHFFFAOYSA-N	224.294	4.623	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NC)c1cccs1	1995258268	CFCILHLCGXOKJL-CHWSQXEVSA-N	239.428	4.615	0	10	BJAE	
CC[C@@](O)(CC(C)(C)C)C1CCC(C)(C)CC1	1996547325	NPHYUIWFEHQATO-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C)C1CCC(C)(C)CC1	1996553528	PHVYLYPELPEGDL-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)[C@H]1CCC[C@@H](CC)CC1	1997105458	MTNKFGJAOZHZCR-YJNKXOJESA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2CCCCC2)CC1	1997116874	NNOLTHIMQGJMHI-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCCC1CC1)CCC1CCC1	1998032107	LGLFEZRBZLDOBH-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(S[C@H]2CCCC(C)(C)C2)c(N)c1	2000050423	GSZKQYCHNKENJH-LBPRGKRZSA-N	249.423	4.638	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CCC2CCCC2)C1	2000144594	YKUJKPPQDBKKDB-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC1CC(C(=O)[C@H]2CCC[C@@H](CC)CC2)C1	2002319654	HLQJFWZLGDPVMU-JLVJUDLZSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@@H](C)[C@@H](O)CC(C)C)CC1	2002924542	JHWGCLYEXYXEPJ-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@](C)(N)C1CCC(C(C)C)CC1	2002924751	LAAKULRGAQHULL-UYSNPLJNSA-N	239.447	4.602	0	10	BJAE	
CCCNCC(=C[C@H]1CCCC(C)(C)C1)CC	2002992965	HDKFTXWBLHTUBH-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC(C)=CCC[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2002999833	XMGOPKDWSJKQBB-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C[C@@H](C)C(C)(C)C)C1	2003016723	QFVYLDHEJREJCK-IXYNUQLISA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](C2(O)CCCCCCCC2)C1	2003111365	KZFNXDMPPSMQFE-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CN[C@@H](CC=C(C)C)[C@H]1CCCC(C)(C)CC1	2004226002	LIUQHUXIHJEHGH-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CN)CCCC12CC2	2005602547	SPCFXFYUACJFKC-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](Nc1ccc(CF)cc1)C1CCC1	2007025637	OBSPTPQVTOSMRN-HNNXBMFYSA-N	235.346	4.537	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@H]2CC2(C)C)CC1	2007683152	KJCKNCWVRWWUAA-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H]1CCCCC[C@H]1NCCC	2009616100	FZXJWNQNBXFEHP-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(O)([C@@H]2CCC(C)(C)C2)C1	2009719614	LACVLRFZPCPPOJ-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CC(N)([C@H]2CCCC[C@@H]2CC)C1	2009789283	IFODJPZVDMEPGD-PYBGIAKNSA-N	237.431	4.501	0	10	BJAE	
CC(C)CNC1CCC2(CCCCCC2)CC1	2013211111	GFLWFTZYUACZNB-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCC[C@H](CC(C)C)C1	2013472090	AJSWSDRDRUXVBQ-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1CCCC[C@H]1CC	2013530463	JBTIJBXWFVTANG-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H](C)CN(C)[C@H](C)C1(C)CCCCC1	2015331859	FROOLOWOTWLQGY-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC1(CCC)CCC1	2015640767	WDUFAGYXEOFJPA-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CC(C)CC1(C(=O)CCC2=CCCCC2)CC1	2015746399	YQFXDVBSHALCLH-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC(C)C1(C[C@H](O)C[C@@H](C)C(C)(C)C)CCC1	2017121575	QFKCWYMYGKZMOM-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1(C(C)C)CCC1	2017128792	HJAYDQLQZACOKV-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2CC=CCC2)CCC1	2017130285	AAZHCLOHIXYFSO-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)[C@@H]1CCCC(C)(C)CC1	2017473569	VFVURZFPEORCRB-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)C[C@H]1CC[C@H](C)CC1	2017657274	MLOMGUOWHCPEAD-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(CC(=O)CC2CC(C)C2)CC1	2017770007	GVLMWJKXNHJFSG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C[C@@H]2CC[C@@H](C)CC2=O)CC1	2017777136	YXRRBUKYUJJPCH-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)NC1CC[C@@H]2C[C@H]2CC1	2018132905	YFKYEAUYEKNGDP-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCC1(CC(CC)(CC)CNC(C)(C)C)CC1	2018986305	ZITJIGAQJZVKGF-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CN(C)[C@@H](C)CCC1CC1	2019184185	DGXSHVQCYVNVOF-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCCCC[C@H](O)C[C@@H]1C[C@@H]1C1CCCCC1	2022452064	TUCDSKYMYDHKCM-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1C[C@@H]1CCC	2023338044	BPWXCTXBDMXWKZ-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2C[C@H](C)CC2=O)CC1	2023634511	YPGOFALSHWUQPP-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@](C)(N)CCC2CC2)C1	2024090457	YUFQJPUBGBYUIF-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCc1ccc2[nH]c([C@H]3CCC3(C)C)cc2c1	2024283957	AAWFJSKPOQSEDJ-CYBMUJFWSA-N	227.351	4.634	0	10	BJAE	
Cc1cccc(C(=O)CCC[C@@H]2CC2(C)C)c1F	2027844425	ZOSQXAJCKKOYFD-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1ccc(C2CC2)cc1	2028591067	POCRPNNKIXBKMS-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCc1ccc([C@@H](N)CCCCCC2CC2)cc1	2028637307	PJCYJEFURGTLFF-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1ccccc1C1CCC1	2029072432	XGMGKAYEYIZKPS-GXTWGEPZSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@]23CCCC[C@H]2CCC3)C1	2031798475	MQTXJSVYJTUUDR-YQQAZPJKSA-N	249.442	4.658	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)[C@@]12CCCC[C@@H]1CCC2	2031856082	VFVPGIPJPOMSNH-BFYDXBDKSA-N	246.394	4.662	0	10	BJAE	
Cc1cccc([C@@H](O)C(C)(C)C2CCCC2)c1C	2032270549	BXOIGQJJUSCQCP-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CC1CCC(CNC(C)C)(C[C@@H]2C=CCC2)CC1	2035589638	IPUUMTGNQZFOAZ-AQFXKWCLSA-N	249.442	4.537	0	10	BJAE	
CCNCC1(CC2CC3(CC3)C2)CCCCCC1	2036732535	SAHWPNNRQBYIMS-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(N)CC[C@@H]2CCCC[C@H]21	2037176073	PHSZNSLTGFIALJ-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](N)(CCCC2(C)CC2)C1	2037178834	BAXXCIDZDVUTOY-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@H](CC)c1nc2c(C)ccc(C)c2[nH]1	2038005682	WERZWKVZVJFRNG-CYBMUJFWSA-N	244.382	4.864	0	10	BJAE	
CN[C@@H](CC[C@@H]1C=CCCCC1)CC1CCCC1	2038111373	ABZIZMZAAULMRA-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](NC1C[C@H]2CCC[C@@H]2C1)C1CCCC1	2038548238	GJHATSWGCSEVIF-INMHGKMJSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H]2CCC3(CC3)C2)CC1	2038579047	KZTFTLZZQVEQRU-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)[C@@]12CC[C@H]1C2	2039752075	MNLDGTIIXMNDFQ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CC[C@@H]1C[C@@H]1C1CC1)C1CCCCC1	2040652500	ZQHIRKVIPFHRDX-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H]2CCCC23CC3)CC1	2041542637	YBVUCBIUCIQLRM-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042347919	OWUSPIBVNBDEDZ-KSWRQPAISA-N	249.442	4.536	0	10	BJAE	
CCC[C@H](N[C@H]1CCC2(CCC2)C1)[C@H]1CC1(C)C	2043610712	ZTSJSGHQNPYWLE-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1CCC[C@@H]2C[C@H]21	2045306454	ZANDEOCMPXESJB-KLHDSHLOSA-N	246.394	4.518	0	10	BJAE	
CN(CC1CCC=CCC1)[C@@H]1CCCC(C)(C)C1	2045312864	RNTYKYLUZMQITD-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
CN(CC1CCCCC1)C[C@@H]1CCC=CCCC1	2045315880	YJWOVUKFUFUAFD-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CCCC(C)(C)C2)c1F	2045451379	UREJIIMNXPFAQU-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CCC2CCCCC2)C1	2045561342	XQMIQYUYLMMNLI-CJNGLKHVSA-N	248.410	4.908	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@@H]2CC23CCCC3)CC1	2047054381	DBCSGSMIQBJBMM-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1([C@@H](N)CC2CCC3(CC2)CC3)CCC1	2049844828	FCRXAFGDAWBJQP-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](O)C[C@@H]2CCCC(C)(C)C2)c1	2050431777	SNEPJXVIFIPDKA-GOEBONIOSA-N	246.394	4.635	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@]12CCCC[C@H]1CCC2	2051400945	GMPWMEULYNQLLN-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1CCCCC12CC2	2053325523	IJBUHFJJLGLECP-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCCC23CC3)CC1	2053330184	ARHJFACQUQPORD-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC1=CCCC[C@H]1NC1CC2(CCCCCC2)C1	2055668521	VLLGJLQIGSVPOL-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
C[C@@H]1C[C@H](Nc2ccc(CF)cc2)CC(C)(C)C1	2055678188	NDOHHWGUFMSKEU-DOMZBBRYSA-N	249.373	4.783	0	10	BJAE	
CCC1CC(C[C@H]2c3ccccc3NC[C@@H]2C)C1	2056644209	AFTGWXRNUKQAEF-WLIAPVHPSA-N	243.394	4.658	0	10	BJAE	
CCC1CC(CNc2ccccc2C(C)(C)C)C1	2056719022	NPMDUCWJTGFDFM-UHFFFAOYSA-N	245.410	4.832	0	10	BJAE	
CCCC1([C@H](N)C2=CC[C@H](C(C)(C)C)CC2)CC1	2061100249	VOFOHYITFBEINV-LSDHHAIUSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](C1=CCC(C)(C)CC1)C1(C(C)C)CCC1	2061149385	CKEPXHKYAQUTIZ-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC1(CNCC[C@]23CCC[C@H]2C3)CCCCCC1	2061575964	YMDJMOLNJGIDES-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CC[C@H](CN2CCCC23CCCCCC3)C1	2063438437	JWMWELUBWJCLBX-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC[C@H](CC23CCC(CC2)CC3)C(=O)C1	2065280711	YCGIXGYLCSPUME-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)[C@](O)(CC23CCC(CC2)CC3)CCC1	2065306380	VAVNTDDAQXEFHU-OFLPRAFFSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H]1CC[C@](C)(CC23CCC(CC2)CC3)C1	2065339788	PDQNVLMNYPKZBS-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H](C)CC(C)(C)C)c1ccc(CN)cc1	2067352429	JSAIGGMKECPCPW-KGLIPLIRSA-N	247.426	4.711	0	10	BJAE	
CCCC1(CN(C)[C@H]2CCCCC23CC3)CCC1	2069281569	YVGKAAGEVCPHPL-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@@H]2CC23CCCC3)CCC1	2071932419	IOXXNXNCQBSHOD-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C2CCCC[C@@H]2CN)CC1	2072819895	UOZOQVCJLMBURX-VMBOVVBDSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@@]23CCCC[C@@H]2C3)CC1	2074091798	SGWVAXDVMCQWII-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc(-c2ccc(F)cc2O)cc1	2077928836	OLTKBZFUBPSIKC-UHFFFAOYSA-N	244.309	4.541	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@H]1C[C@H]1C(C)C	2079428879	SHMDDMWRIIEAMY-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@H]1C[C@@H](C)c2ccccc2N1	2079659005	DIOFBSCQSNKDGF-KQTLUZQSSA-N	243.394	4.657	0	10	BJAE	
NC1(C[C@H]2C[C@@H]2C2CCCCCC2)CCCCC1	2079660300	LEMZNLLOEFXYRN-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C=C1CCC1)C1(C)CCC(C)(C)CC1	2080233444	KSGDLIVFNJUODM-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc2c(c1)CCC2(C)C	2082272028	FXJLBRGBDPJODN-GFCCVEGCSA-N	244.378	4.529	0	10	BJAE	
CCC1CC(C[C@@H](N)C2=CC[C@H](C(C)C)CC2)C1	2084999243	WDODKGGHHWTYRX-UMPYDWHISA-N	249.442	4.523	0	10	BJAE	
CC[C@@H](C)[C@@](C)(N)CCCCCCC1CC1	2210526244	BOWFWQNHTGCKQD-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC1([C@](C)(N)CCCCCCC2CC2)CCC1	2213572724	ZPHLIQNVXXEIKF-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CCCCCCC2CC2)C1	2213575815	JOCIGUIFMJCBCB-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](C1CCC1)[C@@H](N)CCCCCCC1CC1	2213577276	AEMPXWQIWXMFTJ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC[C@H]1C[C@@H]1C)NC	2215267298	WNMUCOZDXGREBI-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@@H]1C)C(C)(C)CCC	2216277024	FGORFVBASOQYHN-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](CCCCCCCC2CC2)NC1	2216879632	LOEGECZLRZXQTI-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CCCC(C)(F)F)CN[C@@H](C)CC	2217150612	ZPCAMZDKOWLDOT-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C[C@@]12CCC[C@H]1C2	2220045128	MJYLSIUSUVRHDK-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@H]1C[C@H]1C1CCCCCC1	2220631277	OYVUZZQCFAJRNB-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(=O)CC2(C)CC(C)(C)C2)cc1F	2221089082	WTOODWXWYJJVIQ-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC2(C(C)C)CCC2)CC1	2221646089	PMUHEUBNRONWSZ-MRXNPFEDSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CCC=C[C@@H]1N[C@H]1CCC[C@@H](C(C)(C)C)C1	2222260261	AJXKTRQRXDRTRU-WCVJEAGWSA-N	249.442	4.536	0	10	BJAE	
CCCN[C@H](C1=C[C@H]2CC[C@H]1C2)C(C)(C)CCC	2222293189	PIZFYANYWGBXCQ-OFQRWUPVSA-N	249.442	4.537	0	10	BJAE	
C(CCCC1CC1)CCCN1CC[C@H]2CCC[C@@H]21	2223113888	QKHZLOWMVXSUCD-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC(C)C)c1cccc(C)c1	2223590561	YAXHUPDQXVXTSU-DOTOQJQBSA-N	247.426	4.513	0	10	BJAE	
Cc1ccc(Cl)c(F)c1CC1=CCCCC1	2243250342	UASHFCQFTVZXPW-UHFFFAOYSA-N	238.733	4.830	0	10	BJAE	
Cc1cscc1NCc1csc(C2CC2)c1	2243502197	GYWQSUWWQMJDAK-UHFFFAOYSA-N	249.404	4.608	0	10	BJAE	
CCC1(C)CC(N)(CC[C@@H]2CCC[C@H](C)C2)C1	2246654408	AUMVACZYBBSUEO-FXQLRMTLSA-N	237.431	4.501	0	10	BJAE	
CC[C@]1(CCCC[C@@H]2C[C@@H]2C)CCCCCN1	2247116710	BCNIOJHBPRZICO-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCc1cc(-c2c(C)sc(C)c2C)ccc1O	2248276666	DSRWUWOCMPJNFP-UHFFFAOYSA-N	246.375	4.608	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)CCCCC[C@@H]1C[C@H]1C	2248805198	FKYPMGUXNFJCKX-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H](CCCCC[C@H]2C[C@@H]2C)N1	2248842114	PRAFPZMELNCFKK-JONQDZQNSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1(C)CC(C)C1)NCC	2250351873	HNQIBBUOAFAION-LVDPKSTMSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC[C@@H]1CCCC12CC2	2250384328	AUQMRNPOGMRUIG-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)CN[C@H]1CC[C@H](C(C)C)CC1	2250386368	KUXFYSVTNOIDRF-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H]1CCC2(CCCC2)C1	2250387630	QOFUOVJVCZWMFA-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC1([C@H](N)CC[C@H](C)CCCC(C)C)CC1	2250478899	NLBPGGACSPFPQI-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCCC(=O)C1	2250483946	AZVPXENMDQEEJK-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)[C@]1(C)C[C@H]1C	2250527589	JFCHGJUNAAARGQ-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@]12CCCC[C@H]1CC2	2251103796	KBJUJLPPFYJVLY-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H]1CCC(C)(C)[C@H]1NCCC	2251714728	YVJLVSFTTYVWGO-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC1CC(C)C1)C(C)=C(C)C	2251752361	YPIWMTXYKBAIHX-BCLQGDPASA-N	237.431	4.537	0	10	BJAE	
CC1(C)C(C(=O)C[C@H]2CCCCC23CC3)C1(C)C	2253802520	UQPAIQKDCWOBTD-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)[C@H](C[C@@H]1CCCCC12CC2)NCC	2253823785	SAHMJUDELJRUPP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CCC1CC1)NCC[C@H]1CCCCC12CC2	2253892701	YDVXIDRNOGCHOQ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(N)(CC2CC3(CCCC3)C2)CC1	2254111342	HIQLCOBBDMLPLE-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(C2CC2)CCCCCN1	2254512290	OBGPUHRJTWJOCY-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@H]2C[C@H]2C)c(C)c1	2254592699	NXOWZIRIKOGWBV-UKPHBRMFSA-N	245.410	4.520	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@@H]1CCC1(C)C	2255010399	RUMODZIIGJVHSU-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CNCCC1=CCCCCCC1CC1	2255889094	AIAHEMFRYKWXHY-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc([C@@H](N)CCCCC[C@H]2C[C@@H]2C)cc1	2257286798	CEPSNHCELSEVFI-XIRDDKMYSA-N	245.410	4.601	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(C)cc1OCC	2259464949	KAKLCPPEGOCVOK-AWEZNQCLSA-N	249.398	4.632	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@@]12CCCC[C@H]1CC2	2260509583	WHWJGIXCSYPGIT-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@]12CCC[C@@H]1CC2	2260586818	JQJSOJZSGBFAKY-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@H](N)c2cccc(C3CCCC3)c2)CCC1	2260668817	OCOVVGBPMBURAM-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CN([C@@H]1C=CCCC1)[C@H]1CC(C)(C)CCC1(C)C	2261448027	AETUKNKREKLCIH-CABCVRRESA-N	249.442	4.632	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)c1cccc2ccsc12	2298887170	QTGCFCRZLCUMPO-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H](N)CC1CCCCCC1	2298921697	XEBZZZGERDTNTL-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@](C)(N)[C@H]1CCC[C@@H](C)C1	2300680034	ZEMMLCJNKUPPIH-KBMXLJTQSA-N	239.447	4.747	0	10	BJAE	
CC(=CC[C@@H]1C[C@@H](C)CC1=O)CCCC(C)C	2300893834	XNJUNZUTAOPXCG-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
CC=CCC1(O)CCCCCCCCCCC1	2300897423	SGBMNFCRTYTCKF-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)CC[C@@H]1CC=C(C)CC	2300898419	DILURVXZTJYWAF-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CC(C)(C)[C@H]1C	2302080458	RHHKFXBPIPBPFY-WFASDCNBSA-N	231.383	4.657	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCC2(N)CCCCC2)C1	2302566593	UVMPWUZESMXUOM-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@@H]1CCC(C)(C)C1	2302660360	HELJQKLIOOOBOW-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCc1cscc1N[C@@H]1CCC[C@@H](C2CC2)C1	2302891277	AYCYTEPGRDMWND-ZIAGYGMSSA-N	249.423	4.691	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)c2ccsc2C)CC1	2303526620	YYBIVUBYRJGQMQ-ZFWWWQNUSA-N	249.423	4.583	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CC2CCC1CC2	2307895044	OWSXXDLXSOPIRE-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2CC[C@@H]3CC[C@@H]32)cc1	2308177192	XWWVSZSMFGJHIG-QCPWZWHMSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H](N[C@H]1CCC[C@@H]2CC[C@H]12)C1CCCCC1	2309518027	OKJSHLQUNBKADG-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCC[C@@H]2CC[C@H]12	2309518588	XPOZDGZQUJXWEM-KMFMINBZSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2310426941	OCTMUXSXWQYHEA-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2311608860	BMYGLGAMMPPYHA-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)C1CCCCCCC1	2312956497	XLTJNZZIAQDLAL-KBMXLJTQSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)C1C[C@H]2CCC[C@H](C1)C2	2313641948	NNRWPTQZBMXUMR-SNPRPXQTSA-N	248.410	4.598	0	10	BJAE	
CCC(C)=CC[C@](C)(N)c1c(C)cc(C)cc1C	2316508342	BWMRYNXJMALUKA-KRWDZBQOSA-N	245.410	4.532	0	10	BJAE	
CCC(C)(C)CC[C@]1(CN)C[C@H]2C=C[C@H]1CCC2	2316735466	BZIOMURDNBGQOU-BFYDXBDKSA-N	249.442	4.524	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@@H]1CC2CCC1CC2	2316879657	GIWASNXIRNGVGA-BACDZXNISA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)c1cccc(C2CC2)c1	2317825777	ZYEHGXFYNNDQLH-STQMWFEESA-N	244.378	4.675	0	10	BJAE	
COCc1ccc(CCCC2=CCCCC2)cc1	2318579121	FDWWHCXRNYKAOM-UHFFFAOYSA-N	244.378	4.656	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@H](C)C1CC1	2318588517	GYEJGNXKXUMFPR-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)[C@H]1CCC12CCC2	2318591714	BDZWSRCEWMWCNE-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCCC[C@@H]3C[C@@H]32)CC1	2319234750	OPDGAPPJXDTUSA-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CC[C@H]2C2CC2)C(=O)C1	2319731698	WFBVQMRNKUSIKV-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@@H]2CCCC(C)(C)C2)CC1	2320265321	HXGLPJVSMHAOHU-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCC1(CN(C)C[C@H]2CCC(C)=C(C)C2)CCC1	2320386875	BBBDMHRJPYBHBM-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@@H]1CCC(C)=C(C)C1	2320386911	BKOKWXDBJOVTGF-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1(C)CCC1)c1cccc(C(C)C)c1	2320527601	MVYDSNRHOSIUCR-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(CN)CCCC23CC3)C1	2321640190	SFPMGMXFWDSLFD-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](C23CC(CC(C)C)(C2)C3)C1	2321641016	AFTIQMNTDZIJSI-VBJONLRCSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@@H]2CC[C@H](C)C2)c1	2327681871	SUUHBNGVPSCYPX-GXTWGEPZSA-N	244.378	4.737	0	10	BJAE	
CCc1cccc(N[C@H](C)c2ccc(C)s2)c1	20020655	OCZFCLGLQACCDR-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CCCCC[C@@H](NC1CCCC1)c1ccccc1	37186874	NOLMBMSLJZJZFU-QGZVFWFLSA-N	245.410	4.840	0	10	BJAE	
CCCC[C@@H](CC)Nc1cc(Cl)ccc1F	68986176	IUOMNPUDDVWGCG-LLVKDONJSA-N	243.753	4.860	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](CCC)CCC1=O	71083868	OQGPVVIIXWZTLM-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2c(C)cc(C)cc2C)C1	71117965	SVIVFENUKAXMOK-CVEARBPZSA-N	245.410	4.993	0	10	BJAE	
CC1([C@@H](N)c2ccc(C3CCCCC3)cc2)CC1	71558070	CWIGUYKBMAVOGM-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1	85085485	HRAUNXJMAZGGAT-BYCMXARLSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCC[C@H](CCC)CC1	86946116	KVASXWZXDQCALS-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
O=C(CCC1CCCC1)c1sccc1Cl	87621009	MUGFXZQWNIJXCS-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NC(CC(C)C)CC(C)C	88293211	SGHOUAGPPRNQCI-HUUCEWRRSA-N	241.463	4.862	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H]1C[C@H](CC)CCC1=O	93122880	XMSWTJVWTISUGA-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cccc(Oc2ccnc(Cl)c2)c1	104265055	XGTOLRGDKFIUJI-UHFFFAOYSA-N	247.725	4.651	0	10	BJAE	
CC(C)(C)[C@H]1c2cocc2[C@H]1C(C)(C)C	104832880	VEBUVGHKNICLNH-TXEJJXNPSA-N	206.329	4.553	0	10	BJAE	
CCCC(=O)C[C@H](C)Cc1ccc(C(C)C)cc1	107635133	JAAVKGOQYSASIC-CQSZACIVSA-N	246.394	4.748	0	10	BJAE	
CC[C@@H](C)[C@@H](O)c1ccc(C2CCCCC2)cc1	109788645	ZEWAULRQOPUZFB-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1C[C@H]2CC[C@@H]1C2	109790840	MHQGLVNGDKPEED-ZENOOKHLSA-N	243.394	4.585	0	10	BJAE	
CCCC[C@H](CC)[C@H](C=C(C)C)NCCC	131050275	WSKJMMOXEWUOHP-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CC(C)(C)c1ccccc1C(=O)CC1CCCC1	165138030	VDDVASFRDKDUEH-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccc(C(C)(C)C)cc1	165211096	JCEFXRYSZOZKOZ-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CCCN[C@@H](CCC)C[C@@H](C)CC(C)(C)C	168976645	ZMNKYEWZPCCKKQ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CN[C@H](C1=CCCCCC1)C1CCCCCCC1	203576711	IHMUWWQNAOOVKI-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Cc1c2c(cc3ccccc13)C[C@H]2c1ccccc1	206230828	XCAHAYCJWNCHJV-SFHVURJKSA-N	244.337	4.836	0	10	BJAE	
CCCC12C[C@@H]3C[C@H](C1)CC(CC(C)(C)N)(C3)C2	217591863	GFCFOHBEKBCHDE-CBHXASLJSA-N	249.442	4.501	0	10	BJAE	
CC/C(=C/[C@H](C)c1ccccc1)CNC(C)(C)C	228518603	WELKXXLYAJGEBP-UZFBZYOGSA-N	245.410	4.515	0	10	BJAE	
Cc1ccc([C@@H](C)NCC(C)(C)C(C)C)c(C)c1	232782646	OLGJUQZDMCBDQV-OAHLLOKOSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C1(C)CCCCC1	233118352	AEEBANWISFKRHX-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H](C)Sc1ccc(O)c2ccccc12	233344831	IYZSDWAFCKXRDV-NSHDSACASA-N	246.375	4.826	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)C1=CCCCCCC1	233560085	NHJVBEYWEURSHI-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C=COCC[C@H](C)C[C@@H](C)C[C@@H](C)CC	238317753	YQTARMKFXPVMHM-IHRRRGAJSA-N	212.377	4.635	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H]2C[C@H]2C)c(C(C)C)c1	252215368	ZBVGOEJHBDUNCZ-DQYPLSBCSA-N	246.394	4.623	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](CCC(C)C)C1CC1	302518472	OMZUVZYOOIQVBP-LZWOXQAQSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H](C)CC(C)C	302588873	TZPPEQWDMBNRJB-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](Nc1cc(Cl)ccc1C)C1CC1	304354349	QXSIVXORQVLMTD-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CC[C@@H]1CNC(C)(C)C	305949416	UGCGPRJTWDZARM-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(N[C@@H]2CCCC[C@H]2CC)ccc1C	306044872	SSOLMOMYZODXLW-RHSMWYFYSA-N	245.410	4.938	0	10	BJAE	
CCCCCC[C@H](N)c1sc(C)cc1CC	309322860	HKMOTSWMKGIHRH-ZDUSSCGKSA-N	239.428	4.589	0	10	BJAE	
CCCCC[C@@H](CC1(CC)CCC1)NCC	309372668	QKPJWNKORASWMI-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](C)CC(=O)CC1CCC(C)(C)CC1	309409803	FWDXFJKNTORWAV-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@H](C)CC(C)C	309988833	FCNXKDFFKOGIOE-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C/C(=C/c1ccc(C(C)(C)C)cc1)CCCCN	310799448	AGQUREHNCMJZHP-YPKPFQOOSA-N	245.410	4.516	0	10	BJAE	
CC1(C)CCC(C[C@]2(C)CCC[C@@]2(C)O)CC1	313116025	PWUSRMFVWMJNCK-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@]1(CCC(C)(C)C)CC[C@@H](C)C1	319296856	ODJXWBXWUACWOI-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCNCC1([C@H](C)C(C)C)CCCCCC1	320020972	OOIFWQVYDGOYHB-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](Nc1ccccc1C(C)C)[C@H]1C[C@@H]1C	321083623	MEUOJYAMDQJXML-QEJZJMRPSA-N	231.383	4.657	0	10	BJAE	
CCSc1ccccc1NCCCC(C)C	394032698	LZIDNFXPNRRTEF-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CCCC1(NC[C@H]2CCCC[C@H]2C)CCCC1	394864540	SPTWVOILYOWWGY-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCc1c(C(F)F)cc2sccc2c1C	396237411	JEFYYIQYSAWALN-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
C[C@H](CNc1ccc2c(c1)CCCC2)C(C)(C)C	404664326	YCXHQMSWDFSCEF-CYBMUJFWSA-N	245.410	4.660	0	10	BJAE	
Cc1c(Cl)ccc2cc(Cl)c(Cl)nc12	527420208	XMAKMJSZPXFZLA-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
FC(F)c1cc(C(F)F)c(Cl)cc1Cl	575678978	ZRBYSYFLTDSETI-UHFFFAOYSA-N	247.018	4.869	0	10	BJAE	
CSc1cccc(C(=O)C2(C)CCCCC2)c1	687011099	PKQDUJUDSUUZRI-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H](C1CCC1)C1CC1	691041684	UBPJVGOVMCSDNR-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CCCC(C)(C)C	691190785	WQIBYRUKFFKODR-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC(NCCCC1CCCCC1)(C1CC1)C1CC1	691839637	CSKPOTLKKXCPDF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H](C)C(C)(C)CC	695146434	KUJNPTJPRALWIC-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)c1cscc1C	696651561	JYQYVIYGSFOXEU-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCC(C)(C)CCNc1ccc2c(c1)CCCC2	696687348	NJUBRIJDTJATMB-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CCCCC[C@H](CCC=C(C)C)NCCC	697778378	XJLRCQRANMRCIW-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC1(C)C)C(C)(CC)CC	701253327	PGPFOHSBMSLRDC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)CC1(C)CCCC1	704473121	OFRAMFSMZVLJDD-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C1CCC(C)(C)CC1	704936235	GKWHKNKKQRSZFA-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](N)(CC)CCCCCC(C)C	707597166	LOXCUFKOFBWBPM-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1cccc(C(C)C)c1	709076476	OURGCVDCZBMPKA-ZDUSSCGKSA-N	232.367	4.675	0	10	BJAE	
C[C@H](NCCC1(C)CCCC1)[C@@]12CCCC[C@@H]1C2	709158432	RMIHIXJRJPDGQF-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CN[C@@H]1CCCC[C@H](C[C@H](C)CC(C)(C)C)C1	709182482	CBEPYHSMPFGRGY-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H](C)CC(C)(C)C)C1	709255680	AMZZTCIJSRVGJG-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@@H]1CCCC2(CC2)C1	710136291	PPQMPEGJWXBYFE-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](COc1cccc2ccccc12)C(C)(C)C	711248951	NRFGSPJEELXMEL-CYBMUJFWSA-N	242.362	4.901	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)CC[C@@H]2C)cc1F	713068812	WHEYHJCLFIFTPR-WFASDCNBSA-N	249.373	4.761	0	10	BJAE	
c1ccc(NC[C@@H]2CCC[C@@H]3CCCC[C@@H]32)cc1	714421789	BUBTUIRIYVSJSX-ZOBUZTSGSA-N	243.394	4.705	0	10	BJAE	
C/C=C/[C@H](C)Cc1ccc(C(C)C)cc1	714539578	BZAZFYRSKDBTDZ-GFUIURDCSA-N	202.341	4.565	0	10	BJAE	
CC/C=C/C[C@H](CCC)c1ccc(O)cc1	714541795	XTERWBPNTCMQDG-GFUIURDCSA-N	218.340	4.632	0	10	BJAE	
CCC(CC)(CC)CNCCC(C)=C(C)C	718540980	RFVDJYHQSILVSM-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C[C@@H]1CC12CC2	722606839	MJZBIORMXUHYIS-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C/C(=C\Cl)CSC/C=C/c1ccccc1	1459050731	HCIZWJHQBZMNIH-JPFJJCCVSA-N	238.783	4.576	0	10	BJAE	
C=C/C=C/CCN1CCC[C@@H]1CCC1CCCC1	1642285102	IRAVPCFLQTUZFH-REMYHPOOSA-N	247.426	4.554	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC[C@H]1CCC[C@H](C)C1	1655042296	HTATZQNHCHFFNJ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CCC[C@@H](C)COCc1ccccc1	1888065818	KHZLQJMBUPKTFA-MRXNPFEDSA-N	246.394	4.976	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@@H](C)C[C@@H]1C	1902390139	IMFKKJDTJPZXGX-NTZNESFSSA-N	237.412	4.547	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H](CC)CCC	1905384239	WIRKPZKTLQRJQK-GJZGRUSLSA-N	228.420	4.924	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CCCC(F)(F)F	1905446728	AXYBGLZQFSVQOD-SNVBAGLBSA-N	238.293	4.505	0	10	BJAE	
CC(C)CCCCCN(C)CCC[C@@H]1C[C@H]1C	1909997343	KEHGUUYFQGYUQS-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
C=CC=CCC[C@H]1CCCCC[C@@H]1CNCCC	1911960904	QFHJGHOQJPQEFH-DLBZAZTESA-N	249.442	4.705	0	10	BJAE	
CC=C[C@H](NCCC)c1ccccc1C(C)(C)C	1912092860	WDTQCIVHKNAPNT-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)C1CC2(CCCC2)C1	1912717674	SPWSPBDQFRKBSY-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(N[C@H]2CCC3(CCCCC3)C2)c1	1915863425	KVZYSTXOSQBVEL-INIZCTEOSA-N	243.394	4.910	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CNC2CC2)C=CCC1	1916373388	VKBCCSYMEAZGHA-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H]1CCC2(CCCC2)C1	1916441122	FUCYECMLBJKBRX-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC[C@](O)(CCCC(C)(C)C)c1ccc(C)cc1	1919890978	PTRYUZRSGIPKAC-KRWDZBQOSA-N	248.410	4.809	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)[C@]12CCCC[C@@H]1CCC2	1921418989	JQYASCKQIZKYFU-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](N)[C@@H]2CCCC23CCC3)CC1	1921586342	NBNYCLFFUUNRPQ-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@H](C)C1CCCCC1	1924104911	HOAIAONCVVICNG-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@@H](C[C@@H]2C=CCCCC2)NCC)CC1	1925910085	LKKOOXVREAMGOC-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC(=O)CC1C[C@H](C)C[C@@H](C)C1	1926186390	RZZFRIAHTHEALM-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)C[C@H](N)CCCCCC(C)C	1926376942	WWQQAANAFVKQHZ-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)[C@H](C)CCC(C)C	1937162532	YOXVOFXEXAUJLF-ZIAGYGMSSA-N	226.404	4.700	0	10	BJAE	
CCCC[C@@H](CC[C@H](C)CC(C)C)NCC	1939123543	XMCQTDDLABUUDR-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC1CCC(C(=O)CCCC2(C)CC2)CC1	1940879577	CUWPQMPPOAALFT-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CCC[C@@H]1CC1(C)C	1940881060	KQBMJSHRZHEZIM-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H](CC(C)C)C(C)C	1941274190	YAQGUSREIRSLHF-CVEARBPZSA-N	239.447	4.769	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CCCCCC1CC1	1941580257	XLERUUTXRRGXDV-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)CCCCCC1CC1	1941584734	BMBBOYXKDJDJBL-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](CC1CCC=CCC1)NC	1941795136	GXHOGZLKXUJEHT-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C1(C)CC(C)C1	1941984417	UNDCWJRMTQQGTR-UIDBIOKJSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)C1(C)CC(C)(C)C1	1941984871	ACPNJSWLPWJVEC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)[C@H](C)CCC(C)C)cc1C	1942663833	VHLQDVPRMNHNFQ-CYBMUJFWSA-N	232.367	4.558	0	10	BJAE	
CC1(C[C@@H](N)C(C)(C)C2CCCCC2)CCC1	1944665500	GMSCZDNIPJAARN-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	1945311146	KNRHICHFWOYIKT-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CC[C@@H](C)[C@@H]1C(C)C	1947466499	JLQNUGWFXHRALN-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CCC1CCCCC1	1947469585	RBBSMIQTTOPBRC-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)N[C@H]1CCCCC1(C)C	1948324577	AZXYBVNNVVKMQO-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](c1nc2c([nH]1)[C@H](C)CC[C@H]2C)C(C)C	1949750197	ZEGXYDWVNUPFAD-UTUOFQBUSA-N	234.387	4.560	0	10	BJAE	
CCSc1ccccc1N[C@H](CC)CC1CC1	1950098466	BRZHQVUOPQDDOK-CYBMUJFWSA-N	249.423	4.789	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC2(CCC2)C1	1968527891	IVHCMQBCCVLBRQ-OAHLLOKOSA-N	243.394	4.774	0	10	BJAE	
CCCC1(CN[C@H](CC)c2occc2C)CCC1	1971565710	FBXGGMCXKIWWCX-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CC(C)c1cnc([C@@H]2CCC[C@@H](C)CC2)s1	1976351231	WAJFAXLQGXENAG-VXGBXAGGSA-N	237.412	4.950	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(CN)CCCC	1978627043	OJCWKAHPZYVYJM-CABCVRRESA-N	227.436	4.748	0	10	BJAE	
CC[C@@H](C)[C@H](C)CC(=O)c1cccc(Cl)c1	1980684573	IIVULEYBYOTYPS-GHMZBOCLSA-N	238.758	4.595	0	10	BJAE	
CCC[C@@H](C)NCC1(C)CCCCCCC1	1981428882	XCUQDUKIRJGQAI-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CC1(CC)CCC1	1988433595	URAXCPFRHOSHMZ-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CCCCCC(C)C	1989802252	ASNHQSMCPYFETD-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
Cc1cc(OC[C@H](C)C(C)C)c(C)cc1Cl	1989925429	ZJNYGZVXDGDBGF-LBPRGKRZSA-N	240.774	4.628	0	10	BJAE	
CCCCC[C@](O)(CC)CC[C@H]1CC1(C)C	1990091258	LWDHJMGIPFZOSB-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCC1(CC(=O)c2cc(C)c(C)s2)CC1	1990601078	DWYUSGVMJWQLRK-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
Cc1cccc(CC[C@@H]2C=CCCC2)c1C	1994008721	HCIFLNABOVJFPR-OAHLLOKOSA-N	214.352	4.592	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(N)C12CCC(CC1)C2	1995989268	VZBXBIYHVYQCSV-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@H]1CCC=CCCC1	1999985748	MJJUUISHMHGJMV-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)CC1=CCCC1	2000378989	JTEQFZQKPSXXHP-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCNC[C@@](C)(CCC)CCC(C)=C(C)C	2000513619	JLNRNRPJUNJPOR-INIZCTEOSA-N	239.447	4.929	0	10	BJAE	
CCCNC[C@](C)(CCC)CCCC1(C)CC1	2000515841	TXYDZXWITPGSKX-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](NCC)[C@H](C)[C@H]1CCCC(C)(C)C1	2003021452	QMHIPSQLROHMSZ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CC[C@H](C)CC2)CC1	2004341340	JIVPIXTVPXUZKU-MSBXVQKDSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1(C2CCC2)CC1	2004531007	QHQFBXAKSQGRBI-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C1(C)CCCCCCC1	2004920588	LIUONSWFJBUECR-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1CCC[C@H]1N(C)C1CCCCCCCC1	2006743460	PPNKTLRRDAOZQF-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@H](NCCC)[C@@H]1C	2006978258	ICLDMAWTONTYSM-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC2(CCC2)NC1	2008286075	HRVLWVSPQBUCPC-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](CCC)CC[C@@H]1CN	2009616111	GBVQXVXSKNKLEN-BZUAXINKSA-N	237.431	4.524	0	10	BJAE	
CCCC[C@@H](CC1=CC[C@H](C)CC1)NCCC	2010627364	UYLQPMLCJNSLGW-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
c1ccc([C@@H]2C[C@H]2CC2CC(=C3CC3)C2)cc1	2011087965	CHEDWQIUPHQIRL-SJORKVTESA-N	224.347	4.681	0	10	BJAE	
CCC1(C[C@@H](NC)C(CC)(CC)CC)CCC1	2011187676	RTYVOSAODMROMK-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CC(O)(C1CCCC1)C1CCCC1	2013229278	NYHFLNJZELGUJT-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@H](C)C[C@H]1C	2013263945	KALNVEHYBZHOGE-ZJIFWQFVSA-N	239.447	4.616	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@@H]1CCC1(C)C	2014862198	OBBXPSRQQAIUFQ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)CC(=O)[C@@]1(C)CC[C@H](C)C1(C)C	2015385333	DCZFUXJUJVOCBQ-DVOMOZLQSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CC12CCC2)NCC	2015539071	WPBYNQAWUNJYDT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](O)CC2CC(C)(C)C2)CCC1	2015632790	FDAIHYPCMBNCDB-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](O)[C@@H](C)C2CCCC2)CCC1	2015635217	NVJNTFSZBUJDGI-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2(C(C)(C)C)CCC2)C1	2017147804	HRACKWLVZGGUPV-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)CC1(C(C)(C)C)CCC1	2017236578	KBRUDWCSVDGQFE-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(CNCCC)CC(F)=C(C)C	2017463128	HSPZGNYBVRCIOG-HNNXBMFYSA-N	243.410	4.836	0	10	BJAE	
CCC1CCC(C[C@H]2CCCCC[C@@H]2N)CC1	2017720842	IILGYFZQUQJGJS-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1C=CCCC1(C)C	2018130524	JLZISQVPMGLTIJ-HUUCEWRRSA-N	237.431	4.680	0	10	BJAE	
CCCCC[C@](N)(CC)C1C[C@@H](C)C[C@H](C)C1	2018132318	YEZDFGPUEJTSBF-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)N(C)C1CC2(CCCCCC2)C1	2019304890	AYETWHJXVHGTRF-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CCCCC[C@H](C)Nc1ccccc1C1CC1	2021025920	GAOYRTBTRWTRLH-ZDUSSCGKSA-N	231.383	4.945	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CCCCC(C)(F)F	2023297890	UOIKJIBXQCIUEM-OLZOCXBDSA-N	249.389	4.746	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H](C)CCC(C)C	2023325589	UPVZRXRIVNUXOO-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
Cc1c[nH]c(-c2cccc(C3CC3)c2)cc1=S	2023471147	SSNAPQLWNWRUHH-UHFFFAOYSA-N	241.359	4.597	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCCC(C)(C)C1)C1CCC1	2024094943	NULJQFOEYZWCEY-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
Cc1oc(C)c(C(=O)CCC[C@@H]2CC2(C)C)c1C	2027842060	FIDRKFQRDZYMET-CYBMUJFWSA-N	248.366	4.604	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(F)c2cccc(N)c2)C1	2027939230	HUWSQERHTWPBCG-WWGRRREGSA-N	249.373	4.670	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1cccc(C2CC2)c1	2029838874	VFGOQSAJFMSFQF-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](N)(CCC2CCCC2)C1	2030279274	GWMVTPIRPDULQV-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@@H]1CC12CCC2	2032132332	PIGMQFHWBOOVMW-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CNc1ccc(C2(C)CC2)cc1)C1CCC1	2032243270	SRDHKMZQRAUDNL-ZDUSSCGKSA-N	243.394	4.586	0	10	BJAE	
CC1(C)C2CCC1([C@H](N)CCC1CCCC1)CC2	2033435696	VGKQARWYKRWYNZ-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)C1CCC(C)(C)CC1	2035592218	NIVPFRMPZKZFNQ-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@H](CNc2ccc3ccccc3c2)CCC1	2035603044	YDPTWINOFODUFF-AWEZNQCLSA-N	237.346	4.608	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC12CCC2)[C@H]1CC1(C)C	2035886599	QXWXXEUKOMKQFK-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1	2036663394	CSBBVRCOWWQGTH-HZMVEIRTSA-N	249.442	4.514	0	10	BJAE	
CC1([C@@H](N)C2=CCCCCCC2)CCCCCC1	2037073540	FUAMFNMHZSXPOJ-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
CC(C)(CC[C@]1(N)CCC[C@H](C2CC2)C1)C1CC1	2037162837	QZTLTXBSSFEXIY-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C	2037170878	VNEWRFXKZLOMQQ-JYYAWHABSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)CCC1=CCCCC1	2037171001	AKGWDDCVFKACNR-BBWFWOEESA-N	249.442	4.811	0	10	BJAE	
CCC[C@](N)(C[C@H]1C=CCCCC1)[C@@H]1CC1(C)C	2037271820	LKKNQTLLHVQSPV-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1C[C@@H]2CCC[C@@H]2C1	2038550371	UDJUSGOOQXWWIR-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CNC[C@H]2CC23CCCCC3)CC1	2039091182	HOASGABJYRXSRK-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@H]2CC[C@@H](C)C2)cc1	2040138544	PFGQYIWBQSAMIM-JKIFEVAISA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)c2cccc(C3CC3)c2)C1	2040149495	LWQNXDFKADAMHF-CHWSQXEVSA-N	242.362	4.573	0	10	BJAE	
CC(C)c1ccccc1NCC12CCC(CC1)C2	2041248293	YNTQRIJUKPKFIS-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1NC[C@]1(C)CC=CCC1	2042069566	LAGLFFAEUUWTCO-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)[C@@H]1C[C@H]1CC	2045319135	AOBYTGUUDPAYAY-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@H]1CC12CCCC2	2047009314	QGXBRFWLXAYOKO-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C[C@@H]1CC12CCCCC2	2047017089	SVKDWRPXGOFNCI-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047438430	SJTZDPIXZVMBKE-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@H]1CCC2(CC2)C1	2049863509	YHMUBEKYUCELSA-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC1(NC[C@@H]2CCCC3(CC3)C2)CCCC1	2049867195	SUNRQZUCDPIHLA-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H](NC1C2CCCC1CCC2)C1CCCC1	2050044747	SDQPFZDRGMLEJT-ONNPGMOUSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(=O)CCC2CCC(C)CC2)cc1	2050466290	ZFCXEQGDUMOCHI-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCCCC23CC3)CC1	2053312923	ZLVSIJKUKMXPIG-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@@H]1CCCCC12CC2	2053411523	KLYAHIMANXXZKE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@H]2CC23CCCC3)CC1	2056559159	PMVPAPJCADURPP-PWUWZPNHSA-N	249.442	4.501	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	2059203488	KVANUIVHVLPQPM-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CC=CCCC[C@H](NCC)c1cc(C)cc(F)c1	2059224756	FMQWCHKAGULYMV-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC=CCCC[C@@]1(CNC2CC2)CC[C@@H](CC)C1	2059252375	HNFPNSMQQFOKIY-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@]1(C)CC=CCC1	2059258590	IBFAWUVXKAPYQV-UPXOEVQQSA-N	249.442	4.847	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1CCC2(CC1)CC2	2059261973	IRINQGKYKPZHPT-LLCTXKFZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC([C@@H](N)C2=CC[C@H](C(C)(C)C)CC2)C1	2061091448	JENAGVOGRQZLCU-GJZGRUSLSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](CC[C@@H]2CC2(C)C)NC)CC1	2061138941	BFDCFKVSBCKBDL-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
O[C@@H](CCC1CC(=C2CC2)C1)CC1CCCCC1	2061693879	MAOWLUJUFGHCMI-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)[C@@H]1C=CCCC1	2062654001	XGBJITNVKOYVDO-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2C[C@H]3CCC[C@@H]3C2)C1	2063490039	HYCPUUULZQCMLT-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063491623	SODVXMVHFPOPFF-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C[C@@H]1CC12CCC2	2069188351	CFWRNWPEDFEPBV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CC3CCC2CC3)CCC1	2069284320	IMYKXTIEWKIWBQ-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1(C(=O)CC2[C@H]3CCCCC[C@H]23)CC1	2069504446	ATTVDJUBNYAFOB-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C1CCCCC1)n1cc(C2CCCC2)cn1	2070203139	LJXNOINTZGNPMG-CYBMUJFWSA-N	246.398	4.682	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)c1ccc(C)cc1	2070400628	WVEYDBJMUJKTPS-JKSUJKDBSA-N	245.410	4.781	0	10	BJAE	
CCC(C)(C)[C@H](C)NC1CC2(C1)CC1(CCC1)C2	2072827852	QIHSJNBKLLKJGP-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
Cc1cc2ccccc2n1C[C@H]1CC[C@H](C)CC1	2072878873	NEOIZHGFWJNWSU-CTYIDZIISA-N	241.378	4.776	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H]2CCNC3(CCCCC3)C2)C1	2074133247	KUMZJKOTKCWMBI-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CCC23CCCCCC3)C1	2074893124	RQCADPPCMMQSRB-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
CCCCCc1ccc(-c2cc(N)ccc2C)o1	2077975415	IUXORBDYSGYJLF-UHFFFAOYSA-N	243.350	4.570	0	10	BJAE	
N[C@H](CCCC1CC1)[C@@H]1C[C@H]1C1CCCCCC1	2079432322	RRSGMFRUOMWMHR-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCC1CC1)[C@H]1C[C@H]1C1CCCCCC1	2079820703	RRSGMFRUOMWMHR-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C1CCCCCC1)[C@@H]1C[C@@H]1C1CCCCC1	2079833248	SBVUNTAEHQROSA-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@@H]1C[C@@H]1C1CCCC1	2079861882	HHZJIPDVGOGHCG-NVXWUHKLSA-N	246.394	4.662	0	10	BJAE	
C(CN[C@H]1CCCCC12CCCCC2)=C1CCC1	2081675378	UDQYTVQTQWFYQJ-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CCCCCCN(C)CCCCCCC1CC1	2213595853	QWJIIIHZKBAYCT-UHFFFAOYSA-N	239.447	4.859	0	10	BJAE	
CC1(C)CC[C@@H](n2ccc3cccc(F)c32)C1	2214771613	CAROLDCCUPSWDP-GFCCVEGCSA-N	231.314	4.532	0	10	BJAE	
CCC1CCC(C(=O)CC[C@H]2C[C@@H]2CC)CC1	2215331535	LACFYKZOODZOAH-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
CC1([C@H](O)CCCCC(F)F)CCCCCC1	2216457831	PHLUGOKQCOZGKI-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CC1(C(=O)CCCCCCCC2CC2)CCC1	2216877217	JNSRFSPVKQKSPX-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
Cc1cc([C@@H](C)Nc2cscc2C)ccc1F	2217349267	VDPVPUKBBYLMPS-LLVKDONJSA-N	249.354	4.677	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)CCCCC1CC1	2220042781	WYXCPOFOSPAHSS-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@H]1CC(C)=C[C@H](C)C1	2220044460	FRXHHIMPFJFEDG-IAOVAPTHSA-N	249.442	4.537	0	10	BJAE	
COc1cccc(C)c1N[C@@H](C)CCC=C(C)C	2220299943	HNBQHAHHIBGQPR-AWEZNQCLSA-N	247.382	4.550	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)c1c(C)cccc1C	2222010608	CTXXQWQIZHSXRC-RDJZCZTQSA-N	248.410	4.799	0	10	BJAE	
CCC(CC)(CNC1CCC1)C1CC2(CCC2)C1	2223547245	DLBOIJWYJUXHHJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNc1ccccc1Cl	2243029429	DRJJODYZOLZTNO-NEPJUHHUSA-N	237.774	4.578	0	10	BJAE	
CCC(CC)CC(=O)c1csc(C2CC2)c1	2243501524	YRMQGUGNIOJOOH-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](O)CCC2(C)CC2)C1	2246662982	CSGOUGURNWODGX-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](C)(N)C2(C)CCC2)C1	2246723745	ASGUVXCGESYIMS-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCCC1CC(O)(CCCC[C@H]2C[C@@H]2C)C1	2247123614	XSCTZHOCJDSJFA-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CC(C(=O)CCCC[C@@H]2C[C@@H]2C)C1	2247162507	BZVBGFNOBAHELK-RNDNHVFHSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCC[C@H]1C[C@@H]1C	2247166995	RGKAUZRFICPNDF-CWRNSKLLSA-N	239.447	4.747	0	10	BJAE	
Fc1cc(C[C@H]2C=CCCC2)cc(C(F)F)c1	2250127144	RVHPAYKWDVPRFC-JTQLQIEISA-N	240.268	4.662	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(N)C(C)(F)F	2250469879	UFPPCZZSBJAOOO-STQMWFEESA-N	249.389	4.602	0	10	BJAE	
CC(C)=C[C@@](C)(N)CC[C@H](C)CCCC(C)C	2250482338	TXYRGTSIRRMHCI-CVEARBPZSA-N	239.447	4.913	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)CC(C)(C)F	2250482701	VZXKGTKRRKROMN-ZDUSSCGKSA-N	244.394	4.936	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)(C)[C@H]1NC	2251701100	MSXGHBOBZXSKOJ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CC[C@H]2CCC[C@H](C)C2)C1	2253913400	FYAFCPAYQTWUHZ-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CCCCC23CC3)C1	2253921297	WGFSVZXFNJFUBV-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C(C)(C)C1CCC1	2255050607	LKIRJPMPHZPZCV-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)CC[C@H]1CCCC12CC2	2255333649	XATXFIBDXAWQJS-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCCC2(CC2)C1	2256143190	AGLJDCFBRFIHRK-CYBMUJFWSA-N	247.357	4.523	0	10	BJAE	
CCCc1ccc([C@H](NCC)C(C)=C(C)C)cc1	2256291657	GZMYKPNYYLWRTO-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
C[C@H](N[C@H]1CCCC(C)(C)CC1)[C@H]1CC12CCC2	2256448936	UUDFTZNJIZTSFH-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(CNc2cccc(C(C)(C)C)c2)C1	2257960101	IFVIXFQMGXCORL-UHFFFAOYSA-N	245.410	4.832	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H](C)CC[C@@H]2C)cc(C)c1C	2258247491	PJOXMHSCMBREHG-BWACUDIHSA-N	245.410	4.848	0	10	BJAE	
CCCC1([C@H](C[C@@]23CCC[C@@H]2CC3)NCC)CC1	2260589444	YGRGRBMCHBJJKY-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@]12CCC[C@@H]1CC2	2260636702	COJDAZUTUJHIOI-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CC[C@@H](CCN)C2)C1	2261293052	CIULNRYBYDHFKT-JEYLPNPQSA-N	249.442	4.524	0	10	BJAE	
C[C@H](CC1CC1)Oc1ccc(C(C)(C)C)cc1	2298907978	LKWWGGCWVCBJHK-GFCCVEGCSA-N	232.367	4.552	0	10	BJAE	
C[C@H](CC1CC1)[C@H]1CCCCCCCC[C@@H]1O	2298917880	ULJZDUNJHNVEPF-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCC(C)(C)C[C@@H]1C	2300690048	FATGMVALPILFHH-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCC(C)(C)NCC=C(C)CCCC(C)C	2300861498	SEWJQCUFEIVPHW-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
CCCC=CCNCC=C(C)CCCC(C)C	2300864047	WTVFHRWPYITKNN-UHFFFAOYSA-N	237.431	4.705	0	10	BJAE	
CC(=CCC(=O)[C@H](C)C1CC1)CCCC(C)C	2300920743	JMNOFKNJCNLFLM-CQSZACIVSA-N	236.399	4.764	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](O)(CC2CCCCCC2)C1	2301137275	HDYDAINYVLYPEC-MIFYACCESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC)CCCC1CCCCCC1	2301142811	MYMQCOKLOVNFNZ-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC)CC1CCCCCC1	2301243131	ZDNHEYISDMKQTR-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H](C)[C@@](C)(O)CC1(C(C)(C)C)CCC1	2301919609	QUOZRBWLTJFSOJ-HIFRSBDPSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CC[C@@H](c2nc(CCC3CC3)cs2)C1	2302271671	XLFSUTIEHROSDC-DGCLKSJQSA-N	249.423	4.779	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCCC1(N)CCCCC1	2302565302	DKMSLYDIBUOUIO-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CC=CCCC[C@@H](N)c1cccc(C(C)C)c1	2303671741	JZNGXHWKEUHOAG-MRXNPFEDSA-N	231.383	4.556	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC[C@@H]1CCC(C)(C)C1	2304433263	AEVZAOPDBOMYSM-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H]1CCC[C@@H](C)[C@H]1C	2307752453	RPOAVNSVJCAVDY-LVQVYYBASA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CC(C)(C)CC[C@H]1C	2307836390	YRPRLWQOGOTDHJ-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](CC1CC(C)(C)C1)NC	2307895933	XQZNBRDDRDQFFZ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1ccc2[nH]ccc2c1	2313564354	RBNHUDJPZNRTIF-ZDUSSCGKSA-N	244.382	4.795	0	10	BJAE	
CCCN[C@H]([C@H](C)CC1CCC1)[C@]1(C)C=CCC1	2313589783	GXQARPHZBLFRFJ-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@H](NC)c1ccc(C)c(CC)c1	2314689403	IRRRAZGGUDQBLJ-QGZVFWFLSA-N	247.426	4.788	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CC[C@H]2C[C@@H]21	2315876733	AURPKBMPTOBIFS-JYJNAYRXSA-N	243.394	4.576	0	10	BJAE	
CC(=CCNC[C@]12CCC[C@H]1C2)CCCC(C)C	2316488121	BDGQWYXAXJGHHY-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CC(=CC[C@@H](N)[C@H]1[C@H]2CCC[C@H]21)CCCC(C)C	2316505148	XQQJXCYMWBMFBO-YYIAUSFCSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)c1cc2ccccc2o1	2317831774	PZAUYUKBEYALJB-NEPJUHHUSA-N	244.334	4.544	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)C[C@@H]1C[C@@H]1C	2317905327	AKMXKISBZDFDOR-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](NCCCC2=CCCCC2)C1	2318522356	RFHQLHWVYKHNNT-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNCCCC1=CCCCC1	2318575718	IKRKAWNOOCKNSF-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CCCCCN1CCCC1=CCCCC1	2318576074	LPKRFCSAARAYBO-QGZVFWFLSA-N	249.442	4.922	0	10	BJAE	
CNC[C@]1(CCCC2=CCCCC2)CCC[C@@H]1C	2318584352	ZQHKUQQTNUUANQ-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C1=CCCCC1	2318885313	LSUKKQNINWDUPM-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(CN)CCCCC23CC3)C1	2319327092	SVWYZRFAICLQFY-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@@H]2CC23CCCCC3)CC1	2320388261	OFSIZZFFFXBIHD-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@@H](C)CC1CC1	2320516710	KHOXHLDLPVDZFX-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@H]3CCCC[C@H]3C)(C1)C2	2321643474	XQMMDIGSVAEJEA-VBJONLRCSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cc(C)ccc1C	21817980	PEGOMEHNVFINCX-SWLSCSKDSA-N	233.399	4.930	0	10	BJAE	
Cc1cccc2c(Cl)c(Cl)sc12	34092260	SXXZNTPEOOTXPG-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCCC[C@@H]2C)c(C)c1	36865958	FABBMIVEQDHIDF-YSVLISHTSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc2c1CCCC2	37197341	DPCRGINVEVXUNN-CYBMUJFWSA-N	231.383	4.556	0	10	BJAE	
CC(=O)c1cc(C)c(-c2cccc(C)c2C)s1	42731988	WIPIAUVHBRPLCF-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
N[C@H](CC1CC1)c1ccc(C2CCCCC2)cc1	49729350	FOTYKZBHTPDOOT-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)c1cccs1	50328675	WGUTXGSENPKBDV-HNNXBMFYSA-N	249.423	4.679	0	10	BJAE	
CCC[C@H](NCC(CC)CC)c1cccs1	71105512	SFLUCFGKWYOUDU-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
Clc1ccccc1N[C@@H]1CCC[C@H](C2CC2)C1	81624010	ONWGUGAVCKMHDM-QWHCGFSZSA-N	249.785	4.721	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC[C@H](C)C1	87990726	HBIFLPSZZPAULP-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@@H](CC)CNCC1CCCCCC1	89557072	HJZPWDXWNXSDII-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CC[C@H]1CCC[C@@H](/C=C/CCNC(C)(C)C)C1	93674175	UJJCEVWXKVSYRE-OVPGCVMQSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCCC[C@@H]1Nc1ccc2[nH]ccc2c1	94274754	VGPWBGHYJWRLAF-HNNXBMFYSA-N	242.366	4.549	0	10	BJAE	
CCCCCC[C@]1(N)CCCCc2ccccc21	104167884	NGINMIWQZWVXRC-KRWDZBQOSA-N	245.410	4.537	0	10	BJAE	
CCC(=O)CC[C@@H](CC)c1ccccc1Cl	107496094	BBDXWZIPFPXGLL-LLVKDONJSA-N	238.758	4.593	0	10	BJAE	
CCC[C@@H](C)CC[C@@H](NCC)c1ccccc1	109656066	FLXDFYZVSSMJBM-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CCCCCC[C@@H](Cc1ccccc1)NCCC	109721537	GAMMBSFHOBKOIQ-KRWDZBQOSA-N	247.426	4.568	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@@H](C)c1cc(C)c(C)cc1C	109927721	VOOINQDREJEUIQ-XZJROXQQSA-N	247.426	4.697	0	10	BJAE	
CCc1oc2ccccc2c1C(=O)CCC(C)C	110175526	UBSLXXYABBFEFJ-UHFFFAOYSA-N	244.334	4.614	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)C(C)(C)CC	110218480	TVTAWWOOTJTWOK-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CCCCC1CCC(CC)(CNC2CC2)CC1	110449469	CNRYBTCPWNPURF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Fc1cc(-c2ccccc2)cc(C(F)(F)F)c1	112734596	AQTAAOAIKMRIRE-UHFFFAOYSA-N	240.199	4.512	0	10	BJAE	
C1=CCC(NC2CCCCCCCCCCC2)C1	125024114	APKWYWYHYDJBSY-UHFFFAOYSA-N	249.442	4.968	0	10	BJAE	
CCCCC[C@H](NCC)c1sccc1CC	125411816	GAMSHXXWULAQPL-ZDUSSCGKSA-N	239.428	4.541	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCC(C)(C)C)NC	126755306	LKYBFFHUCFVVGJ-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCCC)c1ccccc1	128645699	MPVIGFYWAPHDBF-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CCCCc1ccc2oc(C(=O)C(C)C)cc2c1	130384767	LIQUDRRZQQINBN-UHFFFAOYSA-N	244.334	4.614	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@@H](C)CNC1CC1	133150319	QUGXNCULNGBWNB-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@H](C)CC(C)(C)C	133456961	GQVCKDIENPIQKG-KBPBESRZSA-N	227.436	4.602	0	10	BJAE	
Cc1ccccc1OCc1ccccc1C(C)C	221735829	UPRKMFPQWWUQCP-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)[C@H](C)CC)cc1	227063413	HPPSOBGKKNWCLV-ZENOOKHLSA-N	233.399	4.507	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCCC[C@@H]1C(C)C	251858905	OEASJUDROTWORU-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1C[C@@H]([C@H]2CCC[C@@H](C)C2)c2ccccc2N1	300115006	ANTLESJSOMHPCI-HOSILWTGSA-N	243.394	4.801	0	10	BJAE	
CC(C)CNCC[C@H](C)CCC1CCCCC1	302251606	KWVOTHVCACUMIF-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc2c1ccn2CCCC(C)(C)C	302313492	PGPRFDGVFHNBMM-UHFFFAOYSA-N	229.367	4.776	0	10	BJAE	
CCC1(CNC(C2CCC2)C2CCC2)CCCC1	302646172	UXFXEEZPHMPPIK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CCC(C)(C)C	308036292	UMIQBKHGFCBJRB-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1sccc1C	308115468	UQXXXBDXKONUAN-LBPRGKRZSA-N	238.396	4.702	0	10	BJAE	
CCC[C@H](NCC)[C@H]1CCCCC12CCCC2	310283296	PXQJAVPQQBGTFV-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H]1CC[C@@H](C)[C@@H](C)C1	310594293	BXPHZDYJBQJRNT-VHDGCEQUSA-N	241.378	4.947	0	10	BJAE	
CC(C)CCCCCC(=O)C(C)(C)C1CCC1	322337864	BKFKLJQNTGMYKJ-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CCC2(C)C)cc1	379876653	SLDWQSRGEMDHKU-SWLSCSKDSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@H]1CC[C@@](C)(CC2(C)CCCC2)C1	380045329	TUOJVFYXMBTROU-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)c1ccoc1C	381163261	ADCHAEPLYUUNGC-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC23CCCC3)cc1	383011389	KUVDLKVHLWFYLN-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
CC(C)CCCCCC(=O)c1ccccc1F	383082749	AGAOWNCOMBPJEQ-UHFFFAOYSA-N	236.330	4.615	0	10	BJAE	
CCc1ccc(N[C@@H](C)CC2CCC2)cc1C	383117004	AHLLFFBBFISLOA-ZDUSSCGKSA-N	231.383	4.548	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC[C@@H](C)[C@H](C)C1	383206111	AXSBMDCIUSOHDP-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H]1C[C@H](C)c2ccccc2N1	383346205	YXLZLZJPPAAFGW-IHRRRGAJSA-N	231.383	4.801	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)CC(C)(C)C)CC1	384400430	CKFJCSISWYGLLV-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC(C)CCCCC[C@@]1(CN)CCCC[C@H]1C	384786795	UXWHCWTWMLMOJS-CVEARBPZSA-N	239.447	4.748	0	10	BJAE	
C1CCCC([C@H]2NC[C@H]2C2CCCCC2)CCC1	385111140	CWGIGUNPJVNWOM-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)CCC1=CCCCC1	385832012	UGFFXQXSHHMVFO-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
Cc1cc(N)c(N[C@H](C)CCC(C)(C)C)cc1C	386406664	WFJUCBVBIGDKEM-CYBMUJFWSA-N	248.414	4.512	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1C[C@@H]1CC(C)C	387920772	PYKQNJLKWISUDX-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C[C@@H](O)CC1(C)CCCC1)CC(C)(C)C	393842609	KCMDVBWKVVTMSV-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
C[C@H](Nc1cccc2ccccc12)[C@@H]1CC1(C)C	397599786	LKHXRIYLODDILL-WFASDCNBSA-N	239.362	4.686	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)c1cc(C)oc1C	398655954	CHEHSZQBHSMKKG-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
C[C@@H](C(=O)c1ccc(C2CCC2)cc1)C(C)(C)C	399113064	BGJFJJINYUSJIY-LBPRGKRZSA-N	244.378	4.819	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](CCC2CC2)NC)cc1	400907166	QEPGOSBRDAVPOT-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1	403263804	YNFVFTKWXLHAJA-RRFJBIMHSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@@H](O)C2=CCCCCCC2)CCC1	686918127	JFENXZZFOAKSBO-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CNc2ccc(C3CCC3)cc2C1	690269340	WEMZGWKAPQTXRH-HNNXBMFYSA-N	243.394	4.584	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCCCC[C@H]1CC	691096521	AXMQWKQLGLXYDX-ZNMIVQPWSA-N	225.420	4.514	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1Nc1ccsc1	691148874	KXGMISDYWQOBKM-UONOGXRCSA-N	237.412	4.765	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1CC2(CCC2)C1	691901162	HKZUBBUOSGMGCT-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC12CCCC2	694472505	IYGKFWQJAVBQNL-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)c1ccsc1C	696204290	ABHQGSURIDOXBJ-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC(C)=CCC[C@]1(O)CCCC12CCCCC2	697624020	WLYVQFWQGINMGT-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1cc(C)ccc1F	697773050	XKXKBESCWQEEEH-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@@]2(C)C[C@@H]2C)cc1	704338290	VMDJVSGABZNOIS-PYTWLRIVSA-N	245.410	4.507	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)c1ccc(Cl)s1	704610014	HMSWQAOCYMRHNL-KWQFWETISA-N	246.803	4.507	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@](C)(N)CCC(C)(C)C)C1	704855109	OQJANBPCMJCTRH-ORIJERBGSA-N	239.447	4.602	0	10	BJAE	
CC(C)CNCC[C@H](C)C[C@@H](C)CC(C)(C)C	709080533	OMNMCQAUGKSJHP-LSDHHAIUSA-N	241.463	4.721	0	10	BJAE	
CC[C@](O)(C[C@H](C)CC(C)(C)C)[C@H]1CC1(C)C	709147321	BYKRJWNIOMJWGL-WWGRRREGSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(O)CCCCC[C@H]1C	709157999	ALYFXSOHTUQXCR-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CCC[C@H](C)CC(C)(C)C)NC	709188927	OZTVGVMIMAXVCT-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)c1cscc1Cl	710428737	WFBAPNHCGPUJKR-JTQLQIEISA-N	246.803	4.507	0	10	BJAE	
CC[C@H](C[C@@H](O)c1sccc1C)C(C)(C)C	711212177	RDBXZHCAKCOGCC-VXGBXAGGSA-N	240.412	4.552	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@@H](CC(C)(C)C(C)C)C1	713138517	CVVVXMUZFDPTJQ-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)/C=C1/CCC[C@@H]1[C@@H]1CCCCN1	713151203	IFHICWYEGLTKGG-GBDTVTBQSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC(C)(C)C)NCC	713216941	NQVTZPDWFYXNBM-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)CC(C)(C)CC	713247187	ZLBPHTKTZRETDG-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@@H](C)CC(C)(C)CC	713268551	LTBRAUGGMRZKFM-GOEBONIOSA-N	247.426	4.800	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)CC[C@H]1C[C@@H](C)CC	717466326	QSIYNTDPKGGWCN-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	723616684	XQWKPTIIHJADAF-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cc2ccccc2cc1Br	725246099	JGRFOAXVUTXDSJ-UHFFFAOYSA-N	249.151	4.726	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1cccc(C(C)(C)C)c1	821962697	DLRNCLMILWYQKZ-XJKSGUPXSA-N	247.426	4.681	0	10	BJAE	
C[C@H](C[C@H](N)[C@]12CCCC[C@H]1C2)C1CCCCC1	822063525	MQKMHVAEXMERML-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C)N(C)[C@H](C)c1ccccc1Cl	1257324186	KCYFQOULNFUDMC-VXGBXAGGSA-N	239.790	4.521	0	10	BJAE	
C/C(=C/Cl)CSC/C=C/c1ccccc1	1459050724	HCIZWJHQBZMNIH-HMSUDNRNSA-N	238.783	4.576	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC(C(C)C)C(C)C)CC1	1621567702	QYTPHOPVGDVCAG-HUUCEWRRSA-N	239.447	4.616	0	10	BJAE	
CCSc1nc(-c2ccc(C)cc2C)cs1	1860800840	QIPAPZZIDHBXEG-UHFFFAOYSA-N	249.404	4.539	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCC(CC)CC	1900700748	BMOQFGNDOVBCBP-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
CCCCC[C@@H](CC=C(C)CC)NCCC	1900858931	RJEOQISRUPWDKI-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
Cc1csc(-c2nc(CCC3CC3)cs2)c1	1901904052	RULDIUZSFYDKOZ-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1CCCCCC1	1905397430	FOJINCXUBMPORV-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1C[C@H]1C1CCC1	1910569857	OSMATCOMOZFFEC-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC=C1[C@H]2CCCN[C@@H]2C1(C)C	1911890738	WFSFZANQHIFJNK-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C2CC3(CCCC3)C2)C[C@H]1C	1912615908	IAXAVMVVRRXTSH-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCC2(CCCC2)C1	1916434703	BXPRDRZMVCYJSO-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H](C)CCC	1920201204	GITOTAWHBVUPIM-KBPBESRZSA-N	213.409	4.501	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1C=CCCCC1	1925909092	AHZMIQNTQRIEJQ-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@@H](C)C1CCC1	1926153316	SKDIZZIIILYBJJ-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1cccc(Cl)c1	1937161438	IBVFHSBRANNNAY-NSHDSACASA-N	238.758	4.595	0	10	BJAE	
CCCC1([C@@H](CC2(C)CCCCC2)NC)CC1	1940406798	HGINNDHQAYAEQW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)C1(C)CCC1	1940415253	MXEOOHHDVCAGDP-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CCC1=CCCCC1	1940857471	XMMVMFJYBLBNKE-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCCC[C@H](CC[C@H]1CC1(C)C)NCCC	1940857492	XQTCLTZQIHZONB-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CN[C@H]([C@H](C)CC(C)C)[C@H](CC(C)C)C(C)C	1941267701	VTGOZWNJDZGYQT-BZUAXINKSA-N	241.463	4.575	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCCCCC1(C)C	1942800752	GMIXBGBXOJTMOU-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(F)CCCCC[C@@H]1N	1943926365	KGSYAAJKENBMQA-SOUVJXGZSA-N	243.410	4.593	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@]1(N)CCCC(C)(C)C	1947454934	BODKVHZOUSYIEM-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCC1(C)CCCCC1	1947462792	NXHUBTNZLKIZBO-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)(CC[C@@](C)(N)C1CCCCC1)C1CC1	1949033205	CBHKFZCBYZFAIV-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)[C@H]1CC[C@H](C)C1	1949435104	SFJBLBCCIYFXFH-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2CCCCC2)CC1	1950920233	SWXJKFJLPRIFSZ-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC=CC[C@H](CC)c1cc(C)ccc1OC	1951308134	AIFUINDHVYQQPQ-AWEZNQCLSA-N	232.367	4.854	0	10	BJAE	
CC(C)=C(C)CCc1cc(C(F)F)cs1	1958957537	OTQQBBALSQCAOJ-UHFFFAOYSA-N	230.323	4.975	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NC1CC(C2CCCCC2)C1	1967792570	FGMNSTQMHIYHIJ-MFNRNEDNSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)N[C@H]1CCCC2(CCCCC2)C1	1968318649	LQCQGBDWCPYCPG-HNNXBMFYSA-N	237.431	4.658	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)NC(C(C)C)C(C)C)c1	1968604019	KHYDTRVUSAJSPI-OAHLLOKOSA-N	247.426	4.635	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N[C@@H]1CCCC2(CCCCC2)C1	1969339321	FQTGFELFFMGAJP-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](CNc2ccccc2C2CC2)C1	1969416599	JSJATPUUEXIYSO-KGLIPLIRSA-N	243.394	4.802	0	10	BJAE	
C[C@@H](NCC(C)(C)C1CCCCC1)c1ccco1	1970820850	AWMBBBHAJUTFIH-CYBMUJFWSA-N	249.398	4.537	0	10	BJAE	
CCCC[C@@H](C)C(=O)[C@@H]1CCCC(C)(C)C1	1978375735	TYAGKDUGSZPPET-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCCC(C)C	1981004460	KPNCRBNZSLIIGD-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CC(C)CC[C@@H](O)C1(C)CCCCCCC1	1981416403	ONWKMSATAMHEHW-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC=CCCC[C@@H](NCCC)c1ccsc1	1984612804	RKNVHCUAXUDBCQ-CQSZACIVSA-N	237.412	4.535	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)C1(C)CCCC1	1987599421	RDANDMGNWQXHAY-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1ccc(Cl)c(C)c1	1993199943	ALYHMJOEJUFUDN-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
FC(F)(F)CCCCCC1CC(=C2CC2)C1	1993565752	CXMAAWHSVDDGNR-UHFFFAOYSA-N	232.289	5.000	0	10	BJAE	
CC(C)C[C@H](C)CN(C)[C@@H]1CCCCC[C@H]1C	1995742734	AAINUVXQTWMJKM-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H](N)CC2CCCCCC2)C1	1996248526	WAMCPSONHAGDTE-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1CC2CCC1CC2	1996609750	ABLVCPPLYYFRMR-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)C1(C)CCCCCC1	2000213355	HRUKJJNKNZHQJM-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@H]1CC12CCCCC2	2001254200	LYPUIMZRSDGXAH-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCCCC1CCC([C@H](O)CCCC)CC1	2003107335	BDFCZMJFDDWHDP-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
CCCCC1CCC(CO)(CC=C(C)C)CC1	2004227522	MICUXNIWFWKILL-UHFFFAOYSA-N	238.415	4.702	0	10	BJAE	
CCC1(CC)CCC(N)(CCCC(C)C)CC1	2004340867	FDOMVHQXNBXYIT-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@H]1CCCCC12CCC2	2005563765	MSFSXSQIMZCQNH-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H]1C[C@H](CCC(C)(C)CC)CC[C@@H]1C	2006940126	ABYXJWSFWOPDAS-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC(CC)CC)CC[C@@H]1C	2006957463	MWWNGMXDAMEUNZ-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(O)(C[C@H](C)C2CCCCC2)C1	2009308015	IRUFQXZINKKGDD-JEYLPNPQSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@@H]1CC(CC)CC	2009406332	GGAYSRVCBUSSSH-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CCC1(C)CC1)CC1CCCCC1	2009537473	XOMUHVFVOORABS-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CCC[C@@H](C(C)C)CC1	2009589289	ANUWXEQVIFHGBM-FZZYSBJUSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(O)CCC1CCCCC1	2014903608	UBHMZJGJNXMUFD-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C[C@@H](C)C(C)C	2015272109	BXNBIUGGABQZNA-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC(C)C(CC(=O)[C@H](C)CC(C)(C)C)C(C)C	2015376155	DTWOPLCLRUWDJJ-CYBMUJFWSA-N	240.431	4.946	0	10	BJAE	
CCCC[C@H](NCCC)C1(CC2CCC2)CC1	2015784393	QJKGJOLUCVHEMH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(C(=O)C[C@]2(C)C[C@H]2C)CC1	2016431277	ZBNCVUARRQIVBQ-WOICTCIZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)[C@H]1CC[C@H](CCC)CC1	2017655320	LZWZRDQHBBIHGM-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@](C)(N)C2(C)CC2)CC1	2017728290	JXPLQHJZKVSMBQ-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2CCC[C@H]2C)CC1	2017773362	ZRGXWBATEWIJGY-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CCC[C@@H]2C)CC1	2017773363	ZRGXWBATEWIJGY-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H](C)C2CC2)CC1	2017774480	PEZOGWJUYQATML-HSBZDZAISA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)CN(CC)CC(CC)CC	2019190602	MMXMCJSGMJLBDW-MRXNPFEDSA-N	241.463	4.961	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@H](C)CCC(C)C)C1	2019200341	GYDONWGRYKAQQD-BZUAXINKSA-N	239.447	4.712	0	10	BJAE	
CC(C)CCCCCN(C)[C@H](C)CCC(C)C	2019343548	BCEWJEPEUCHJOR-MRXNPFEDSA-N	241.463	4.959	0	10	BJAE	
CCCN(CC1C[C@@H](C)C[C@H](C)C1)C(C)(C)C	2019408368	DRCMDGLZUSPQRG-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CC[C@](N)(CCC1=CCCCC1)c1ccsc1	2019866832	PEZZCVRPEYCRJA-HNNXBMFYSA-N	249.423	4.593	0	10	BJAE	
C[C@]1(C(F)(F)F)C[C@@H]1CC1CC(=C2CCC2)C1	2021958235	REEKWMLHGROZII-STQMWFEESA-N	244.300	4.856	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H](CCC)C(C)C	2022673024	ORSRZRDAUAFVQF-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)C[C@H]1CCCC(C)(C)C1	2024091286	HAWXQMLAACEEHW-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@@H](C)CC[C@H]1CCCC(C)(C)C1	2024091693	KMYLYOYGGPIBFP-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)C2(C)C)c(C)c1	2025019789	SABCXLLHBRZWAB-AWEZNQCLSA-N	231.383	4.540	0	10	BJAE	
c1sc([C@@H]2CCC[C@H]3C[C@H]32)nc1C1CCCC1	2026607844	WCKWAHLKWOFWQY-YNEHKIRRSA-N	247.407	4.704	0	10	BJAE	
CCCN[C@H](CC(C)C)c1cccc(C2CC2)c1	2028552448	PGANYIQHARDOFL-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](C(=O)c1ccccc1C1(C)CC1)C(C)C	2028568089	GHMAQHFFIGBATN-ZDUSSCGKSA-N	244.378	4.603	0	10	BJAE	
CC1(C)CC[C@H](NCC2(C3CCCCC3)CC2)C1	2029743992	PUHZTUCYBUVHOF-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCCNC1CCC2(CCC2)CC1	2032254556	YMCWKWCBBILIKK-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC1CC(C2CCCC2)C1)C1CCCCC1	2033769347	YKGOKEMVPLTEAS-NVPAJSRCSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@H](N[C@H]2CCCCC23CCC3)CCCCC1	2035861405	GZZUXIDLMVJMKB-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
C[C@H](CC(=O)c1cccc(C2CC2)c1)C1CCC1	2036353432	BYXUYBNHZABWBP-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)CC2CCC(C)CC2)C1	2037040069	DVXWUZOZOXFAMU-OTVRASKASA-N	249.442	4.523	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2ccccc2C(C)(C)C)C1	2037683960	WPUYINVWSDYGJP-STQMWFEESA-N	244.378	4.603	0	10	BJAE	
C[C@@H](C1CCC(N)CC1)[C@H]1CCC2(CCCC2)C1	2037692166	DIXMDABLHVETIZ-UIDBIOKJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H]2CNC3(CCCCC3)C2)C1	2037720219	GKLKNKAZZALRJR-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CC2(CCC2)C1)C1CCCCC1	2037971865	GRQSBURTLHARLZ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(=O)CC1C[C@H]2C[C@@H]2C1)C1CCCCC1	2038328391	SXXVSVZMHWMYBT-KCXAZCMYSA-N	248.410	4.598	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@H]1CCC(C)(C)C1)C2	2038932797	IHFJHUYTDOPDKJ-WDCUWTOYSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C=CCCCC1	2039039439	RIVQFWVFCHYGPV-IAGOWNOFSA-N	249.442	4.824	0	10	BJAE	
CCN[C@@H](C1CCC(CC)CC1)[C@H]1CC=CCC1	2042024559	MUBWHOBSCCXTQD-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)[C@H]1C=CCCC1	2043187203	KCMVUSQSUNKLCP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(N)C1CC2(CCC2)C1	2043541498	SSYABCOMYRWXOF-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CCC1)C[C@@H]1CCC=CCCC1	2045323928	QKXWGNSHCPMKMN-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CC[C@](C)(C[C@H]2CCC=CCCC2)C1	2045327000	RZKDKSBLOYCQLJ-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@@H]1CC12CCCC2)C1CCCCCCC1	2047056693	VOKRMFYHVUHLHF-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2CC23CCCCC3)[C@@H]1C	2047059485	QKANOBIQCTUNIR-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCCN[C@H]2[C@H]3CCCCC[C@H]32)CC1	2048380891	KLLDBECODKOIKW-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N)(C[C@H]2[C@H]3CCCCC[C@H]32)CC1	2048445540	BKLYXDMALQWVJJ-JSGMBBGDSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2048471628	MRLJRSSYJFFPEO-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@H](C)c2ccccc2)C1	2049530389	WKRJWIRSXKEJNR-ANQUJSFKSA-N	245.410	4.552	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@H]1C[C@H]1C=CCCC1	2049706034	XQQFPPYNVGZSCP-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1CCC2(CC1)CC2)C1(C)CC1	2049856604	ONVXKJGKFGLMQW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)[C@@]1(C)C=CCC1	2050008016	RZMSDUSQMYIAIM-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCC(C)(C)C(C)C)c1ccc(C)cc1	2050431732	SCRHIPJCQHLRIY-INIZCTEOSA-N	247.426	4.718	0	10	BJAE	
CCC[C@H](N[C@H]1CCCCC12CC2)C1CCCC1	2053347015	RQWBHFGRBZVPLK-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCC[C@@H]2C(C)C)cc1C	2056452176	QKBBZMKPKZHJHJ-CVEARBPZSA-N	244.378	4.558	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)CC2CC3(CC3)C2)CC1	2056558919	MMEZBNNFKMMEGF-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)CC1CC(C2CC2)C1	2056636184	JHQUUYQENNJGIA-BDVYOWHSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC2CCC3(CC2)CC3)CC1	2058993086	YPCHCOFQDYQKJN-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H]1C[C@H]2CC[C@H]1C2	2059250154	NXEOFULVQATUPL-TXWCRZDGSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(NC2C[C@H]3CCC[C@@H]3C2)C1	2059392505	SCGTVXBFBXBYIK-LVDPKSTMSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(N)(c2ccccc2C(C)C)C1	2059492113	MCDGADVLVHRCNG-UHFFFAOYSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)C1CC(C)(CC)C1	2060921146	JERIBGBNEFXRSR-MHABSNSOSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](NC)C2=CC[C@H](C(C)C)CC2)CC1	2061084457	JWZDXQDPGXPZRT-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
C=C=CCCC[C@H](NCCC)c1cccc(C)c1	2061566060	IXHZXKDRUILMKU-KRWDZBQOSA-N	243.394	4.547	0	10	BJAE	
C[C@H](CC1CCCCC1)NCC[C@@]12CCC[C@@H]1C2	2061572815	UAHOVFOMSIINTG-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@]23CCC[C@H]2C3)cc1	2061604039	XFQMNCWXRJNDSF-RDJZCZTQSA-N	242.362	4.573	0	10	BJAE	
CC=CCCCN[C@@H]1CC[C@@H](C)c2ccccc21	2062365447	JJEMTQQIRNKINL-RHSMWYFYSA-N	243.394	4.571	0	10	BJAE	
CCCC1([C@H](N)CC2CC3(C2)CC(C)(C)C3)CC1	2063207750	JZLPBHJZJOFFJC-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063472278	RXIOVFASJODUEW-MUJYYYPQSA-N	243.394	4.542	0	10	BJAE	
Cc1ccc(OCC2C[C@@H]3CCC[C@H]3C2)cc1C	2063532536	WLWKNMUUQOVCNH-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)C12CCCC1CCC2	2063822089	OAXWEXLJIGGKLO-CGZBRXJRSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC12CCC(CC1)CC2	2065337825	CMLDGDHTLRXGJU-MYBQVCMBSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)Nc1cccc(C(C)C)n1	2066345705	ZHEZIZSVXYUKLA-KBPBESRZSA-N	248.414	4.688	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](NC2CC3(CCCCC3)C2)C1	2066626467	BJSVMZSEMNVGAR-HDJSIYSDSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc([C@H](C)N[C@@H](C)C2(C)CCCC2)c1	2067508163	JINVHTAUGAOAFP-GJZGRUSLSA-N	245.410	4.614	0	10	BJAE	
CC1([C@@](C)(N)CC2CCC3(CC2)CC3)CCCC1	2067530791	TWQYGLGXZMOMGU-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)c1cc(C)c(C)cc1C	2070393140	QLDWGZQMAWRLRC-QGZVFWFLSA-N	246.394	4.566	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@@]23CCC[C@H]2C3)CC1	2070971898	PQBKRNXSIQFOPG-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H](O)C1CC(c2ccccc2)C1	2071395442	GEQYUMGDMZXIGM-JCYILVPMSA-N	246.394	4.512	0	10	BJAE	
CC1(C)CCC[C@](C)(NCC[C@]23CCC[C@@H]2C3)C1	2072598524	OMZWCZRORIKNAR-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(CC[C@@H](N)c2ccco2)CC1	2072804542	SZCHYYPDLKUWCH-YMAMQOFZSA-N	249.398	4.666	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C23CCC(CC2)CC3)CC1	2072879760	WUAYYXOPGJKKRL-NYKLAOPUSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCc2ccccc21	2073341579	KZDHWOOICVLANC-RDJZCZTQSA-N	245.410	4.622	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2074101850	PNEKMNODCKEHBU-ABFRBSLYSA-N	246.394	4.518	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2C[C@H]3CCCCCC[C@H]32)CC1	2074648281	HDZDTDPCIUGQJP-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNc1ccccc1C1CCC1	2077263565	YXSZDYQMIYXLPN-UKRRQHHQSA-N	243.394	4.802	0	10	BJAE	
CCN([C@H]1C=CCCCCC1)[C@@H]1CCCC1(C)C	2078725609	UMHLANUMMDJEGW-JKSUJKDBSA-N	249.442	4.776	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CNc1cccc(C2CC2)c1	2079613744	NDLLTHMDTZLFHE-GOEBONIOSA-N	243.394	4.658	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)[C@H]1CC12CCCCC2	2079841496	JEIQCBBHWARYNA-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC12CCC(CC1)CC2	2081787097	DLMKUWHJEYJAKY-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@@H]1C[C@H]1C=CCCCC1	2082215507	QIOIUPHLCCMJBN-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC[C@H]1CCCC(C)(C)C1)c1ccco1	2082981560	DYYIBFKMZRGJMZ-KGLIPLIRSA-N	249.398	4.537	0	10	BJAE	
CCCCC[C@@H](CC)Oc1ccc(C=O)cc1C	2086297072	CAWDHQRZSXGJAB-OAHLLOKOSA-N	248.366	4.545	0	10	BJAE	
CC(C)CCCCNCCCCCCC1CC1	2213572308	UNWSMRVNYCFTFL-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C)c([C@H](C)CC)c1	2214051670	KWZFAMPDOMWEHC-OCCSQVGLSA-N	233.399	4.569	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C[C@@H](C)CC	2214570143	QJCOJQXGLAXMOW-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@](O)(CCCCC1CC1)C1CCCCC1	2214579512	GZJONOBFRZBRLT-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C[C@@H](N)C1CCCCC1	2214777010	PRMRLBPKHMMBIO-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1C[C@@H]1CC[C@H](N)C1CCCCCCC1	2215331191	KCPGFENALGTCEQ-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CCCCC(F)F	2216466827	ARQKTJJEFAXSMI-GXTWGEPZSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C)NC[C@@H]([C@@H](C)CC(C)C)C(C)(C)C	2217158577	DCFBTJOJONBYRL-KKUMJFAQSA-N	241.463	4.719	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1C[C@H]2CC[C@H]1C2	2218717898	IQXWTSTYQJXPDD-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CCCCC1CC1)c1ccc(C)cc1	2220042562	UTJVSEPVAYMQBK-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CC[C@H]1C[C@H]1CCC1(N)CCC2(CCCC2)CC1	2220879985	QZDRKPJAIIDDNX-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@@H]1CC)[C@]1(C)CC=C(C)CC1	2221633648	VKERFXMGWPVLJN-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@H]2CCCCC2(C)C)CC1	2221643064	LTYARRHEAWJQLJ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC[C@@]23CCC[C@@H]2C3)CC1	2221646492	UEJRAPSZDYMFHI-HYVNUMGLSA-N	246.394	4.662	0	10	BJAE	
O=C1[C@H]2CC[C@@H](C2)[C@H]1CCCCCCCC1CC1	2223142073	VZAONNNDRVUSND-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
C(CCCN[C@@H]1CC12CCCC2)CCCC1CC1	2223158435	IKDCCLRNURNQAD-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](C)NC[C@@]1([C@@H]2CCC2(C)C)C=CCCC1	2223574823	XAXHGPJZCCIBST-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)c1ccc(C2CCC2)cc1	2223698607	AUWRDAMMKRJMFN-OGHNNQOOSA-N	245.410	4.636	0	10	BJAE	
CCC(C)(CC)[C@H](CCCC[C@@H]1C[C@@H]1C)NC	2247170853	JOQIQSGIMRUYMN-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H]1CC[C@@H](O)CC1CCCCC1	2247417398	PMCLQDLWOBNHRH-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C[C@H](N)CC1=CCCCC1)C(C)(C)C	2247466532	BDZSZBNGJSBOHP-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)[C@@H](CC)CCC	2250357195	USKRLHQDCYFBHP-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CN[C@H](CC[C@@H](C)CCCC(C)C)C1CCC1	2250470314	YTRJYPRBIZXOOJ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(OCC[C@H]2CCCCC23CC3)c1	2253808698	LKQNDWXWYLNDHW-OAHLLOKOSA-N	244.378	4.734	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCCCC12CC2)CC1CC1	2253865191	OQJIPGKFYKVLRJ-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
CC1([C@H](N)CC[C@H]2CCCCC23CC3)CCCC1	2253868480	BXBYLSJXUNRWLL-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc2c(ccn2CCCC[C@H]2C[C@@H]2C)c1	2254517978	AZBLADULSPOEBN-GJZGRUSLSA-N	241.378	4.776	0	10	BJAE	
CN(CC1=CCCCC1)C[C@H]1CCCC(C)(C)C1	2255060115	XGPLGOYDQXKOKE-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CC(C)(C)C[C@H]1C	2256141707	KGYSAHANMXSDPP-BXUZGUMPSA-N	249.373	4.625	0	10	BJAE	
CCCC[C@@H](NOC(CC)CC)c1ccccc1	2259214082	WKTUDWJHCJOYAF-MRXNPFEDSA-N	249.398	4.628	0	10	BJAE	
CC(C)(C)c1ccccc1NC1CCC(F)CC1	2259216188	CDQMDWBYAWFHRR-UHFFFAOYSA-N	249.373	4.677	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@@]12CCC[C@H]1CC2	2260508638	QIQAAAFMGSQFOM-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CN(CC1CC(CC(C)(C)C)C1)c1ccccc1	2261263968	MGILVSLUEYPOSZ-UHFFFAOYSA-N	245.410	4.585	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@H]1C=CCCCC1	2300468516	KLLZNDSMLUCOKO-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CC[C@@H](CNC(C)C)CC(C)C	2300698887	CMKUGLMIXQGVKF-MRXNPFEDSA-N	241.463	4.863	0	10	BJAE	
CN[C@H](CCC1CCCCCC1)C1CCCC1	2301242335	RGZLJVXNRMSSII-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@](C)(CNCC(C)C)[C@@H](C)[C@H](C)C(C)C	2301834136	WRMWBPVWMKBPML-OWCLPIDISA-N	241.463	4.577	0	10	BJAE	
C[C@H]1[C@@H](C(=O)CC2CCCCCC2)CC1(C)C	2302079606	JPOSXSPTZLLLHE-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCSc1cccc(N[C@H]2CC(C)(C)[C@@H]2C)c1	2302088229	WFOLIVITQNGYGP-RISCZKNCSA-N	249.423	4.645	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CCCC1=CCCCC1	2302359068	MZCUTPDHAPFBSN-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CC[C@@H]1C(C)(C)C	2303444280	IFVIUJLBNZLGBO-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303470169	IHVWHBLLYYCLCY-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
Cc1cn(CC[C@H]2CCC(C)(C)C2)c(C)c1C	2304435254	HQHBLTVLXNBWJN-OAHLLOKOSA-N	233.399	4.630	0	10	BJAE	
CCCC[C@H](C)N(C)CC[C@@H]1CCC(C)(C)C1	2304439789	MENLNYFXCCLZFH-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCN[C@H](CC)CCCC[C@@H]1CCC(C)(C)C1	2304448198	VXTIITVOIBZMGI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H]1CCCCC[C@@H]1C	2307746594	GPKGYLYKKIIUKO-HRCADAONSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCC12CCCCC2	2307826333	LICPGDDYGHUSKL-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)CN1CCC[C@@](C)(CC)CC1	2307906068	BNAAIZASWBUDSF-JKSUJKDBSA-N	239.447	4.715	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	2308401388	VPZKTSBSDOHEGK-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@@H]1C)[C@]1(C)CC=C(C)CC1	2312520728	CULQLBDTCVWVMW-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@](O)(CC1=CCCCC1)C2	2312824243	JRVYVJHAQRDNLT-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCCC1)NC(CC1CC1)CC1CC1	2313610781	ZDMCDLRRRHDZHA-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(C=C2CCN[C@@]2(C)CC)CC1	2315203340	QGLLWQYVVJUNSJ-DQPZFDDXSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1c(C)cc(C)cc1C	2316235312	JGZISADWGZUCPU-MRXNPFEDSA-N	248.410	4.862	0	10	BJAE	
CCC(C)=CCNC[C@@H]1C[C@@H]1C1CCCCCC1	2316488352	HRMUJSAVXKYGQW-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CC(=CCNC1[C@H]2CCCC[C@H]12)CCCC(C)C	2316492499	TXOLWUZWKJETMK-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCC1(NC[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2317004299	ZIAPLFSTSSXJMC-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
c1cc(CC2CCCCCC2)c2c(c1)NCCC2	2317011661	ABTMQFZPLBBIPK-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
N[C@H](CCCCCC1CC1)CCC1=CCCCC1	2317902523	XDCKTRHYVCYDNR-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CC1[C@H](C)[C@H]1C	2317905742	BZQJPDJAAPOREB-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H]2CC(C)(C)[C@H]2C)cc1	2318183015	OGCLJWAOMQCOSO-SWLSCSKDSA-N	244.378	4.504	0	10	BJAE	
FC(F)CCc1ccc(Oc2ccccc2)cc1	2318483457	VPAGEVAYHIXHQZ-UHFFFAOYSA-N	248.272	4.677	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC[C@H]2CC[C@H]2C2CC2)CC1	2319747581	GJXBEUKLKUYXRG-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CN2CCCCCC[C@H]2C)CC1	2320389506	AUEAQTANEVTHMX-IAGOWNOFSA-N	249.442	4.778	0	10	BJAE	
CC(C)c1cccc([C@H](N)CCCC2CCC2)c1	2320513734	CVWCAIYVDXQUAT-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](O)c1cccc(C2CCC2)c1	2320656020	YABVAXONKJYHOT-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CC[C@H](Nc1cc(C)cc(C)c1)c1cccs1	21059344	QBWPIQCXNLDXEE-AWEZNQCLSA-N	245.391	4.928	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H](C)C(C)C)cc1	36953557	RWWZEMNRAAFGLQ-STQMWFEESA-N	219.372	4.657	0	10	BJAE	
CC[C@H](Nc1ccc(C(F)(F)F)cc1)C(C)C	37199207	MYROVWOBHLMIKG-LBPRGKRZSA-N	245.288	4.552	0	10	BJAE	
CC[C@H](C)c1nc2ccccc2n1[C@@H](C)CC	40390002	BXKATVFCASZEGQ-RYUDHWBXSA-N	230.355	4.521	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(Cl)cc2)C1	70562203	HMIAXVSXRSATPZ-BXUZGUMPSA-N	237.774	4.721	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(C)cc2C)C1	71104429	VCBDYDJSMHODBC-CABCVRRESA-N	231.383	4.684	0	10	BJAE	
CCCCC[C@H](NCCC)c1sccc1C	71128398	WQACYHOLOCZFJG-ZDUSSCGKSA-N	239.428	4.678	0	10	BJAE	
Cc1cc(C(C)(C)C)cc(C)c1C(=O)CC(C)C	82611545	QYDSSWZGVOOOAX-UHFFFAOYSA-N	246.394	4.830	0	10	BJAE	
CCCC[C@@H](CC)COc1ccccc1CC	85151106	ILBYDZQOZAZWAC-CQSZACIVSA-N	234.383	4.844	0	10	BJAE	
CCCCCC[C@H](C)[C@@H](NCCC)C(C)C	86169419	HBMIIPQJUIPZFR-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)c1cccc2cc([C@H](O)C(C)C)oc12	88072418	FEJGUGPUNCPYOK-IAQYHMDHSA-N	246.350	4.636	0	10	BJAE	
CCC[C@@H](NCC)c1cc2c(C)ccc(C)c2o1	88074263	ZNJGQQIEDVKGJN-CQSZACIVSA-N	245.366	4.500	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCCC[C@@H]1C	88508573	XRZPWCVLIOWLRH-JJXSEGSLSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)CNc1cccc(OCC(C)C)c1	109905472	RBQDLYXVVQJHDL-AWEZNQCLSA-N	249.398	4.570	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)c1c(C)cc(C)cc1C	109944721	GLBKAHZAMQNHNZ-JKSUJKDBSA-N	247.426	4.841	0	10	BJAE	
CCCCC1CCC(C)(CNCC(C)C)CC1	110199470	ULWBRJDXVXDTFT-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(O)ccc1-c1ccc(C2CCC2)cc1	133623794	WGZGKCUWDWCGIN-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
C1=CC[C@@H](c2ccc(-c3ccccc3)cc2)C=C1	136061649	HOZZFOOFJWVOJR-INIZCTEOSA-N	232.326	4.953	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H](C)C(C)(C)C	162689241	NKECVCZCMYVRFZ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1sccc1C	167825508	ISQVLDFGPNFWEH-LBPRGKRZSA-N	238.396	4.846	0	10	BJAE	
CCCC[C@H](NCC)c1cccc(C2CCC2)c1	169207614	LUQYPUKJGKLZMS-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CCCCC[C@H]1CC(C)(C)CC[C@@H]1CNCC	212292641	SGAZMHKIVMRWNA-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccc(CC[C@@H]2CCCCC2=O)cc1	213146515	YWOTWNBDMWGBAO-INIZCTEOSA-N	244.378	4.502	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@@H](C)[C@@H](C)C1)c1ccccc1	220674735	YRUMBZSNCPLTMU-OHFALNGGSA-N	245.410	4.552	0	10	BJAE	
Clc1ccc(N[C@@H]2CCC23CCCCC3)cc1	230161549	QULPFUIDJAJYQO-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
CCC(CC)CN[C@@H]1CCC[C@@H](CC(C)C)C1	230775420	OGGREHFXBBWESZ-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC1([C@H](O)C2=CCCCCCC2)CCCCC1	232874428	MKOWCKZIRFZYIP-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](c1ccc(C)cc1C)C1(C)CCCCC1	234495415	VKJRCYOJCSDSLJ-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCC[C@@H]2C)CC1	251869964	UIHAUUYDDGLFAD-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1N[C@H](C)c1ccc(C(C)C)cc1	300585954	OREUYHVBHJVJAO-XYPHTWIQSA-N	245.410	4.649	0	10	BJAE	
Cc1cccc(N[C@@H](C)CCC(C)(C)C)c1	304379330	KKSHAIUYKNFVDQ-ZDUSSCGKSA-N	219.372	4.622	0	10	BJAE	
CSc1csc2c(S)ccc(Cl)c12	307037846	FKHYKVFIMWZSKH-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1sc2cccc(Cl)c2c1SC	307222557	YWXGGWWNGGSQRI-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CC1CCC(C)CC1	308019663	IUCMAGHZUAGPPU-FJBKBRRZSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@@H](CC)CC(C)C	308100703	REXOZFSSIVZZCX-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CSCc1cccc(-c2cccc(C)c2)c1	309188509	LQDLYICFKKHNPQ-UHFFFAOYSA-N	228.360	4.525	0	10	BJAE	
C[C@@H](C[C@H]1C[C@H](C)CCC1=O)C1CCCCC1	310464397	GEJLBXCFLXXTLY-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CCCNCC1(CC2CCC2)CCCCCC1	317118854	DYYSNBNNHOASHL-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@](C)(C/C=C\c1ccccc1)CNC(C)C	317547365	XPNVXEOWPRRMJD-QJWNTBNXSA-N	245.410	4.504	0	10	BJAE	
CC[C@H](C)C1(CNC(C)(C)C)CCCCCC1	318243122	AFMUADMFKYBLMI-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)C1(CC(C)C)CCCC1	320110125	RDZVWZAPAMCATN-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C)c(C(=O)C(C)(C)C(C)(C)C)c(C)c1	380903613	PFRWEINQGQALKV-UHFFFAOYSA-N	246.394	4.867	0	10	BJAE	
CCc1ccccc1C(O)(CC(C)C)CC(C)C	381171998	LOLYEABIXPSIJN-UHFFFAOYSA-N	248.410	4.529	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H]2C[C@H]3CC[C@H]2C3)cc1	385367866	MYQHWDXXPQAWDD-GZIXRCOHSA-N	244.378	4.768	0	10	BJAE	
CCOc1ccc2c(CC)c(Cl)sc2c1	396186929	HGPUZUMRTYAXEX-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1c(F)sc2cc(C(F)F)ccc12	396223053	ULKXLNVWXPZOIA-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCC[C@@](O)(CC1CCCCC1)[C@H]1CC1(C)C	397592649	CLCQJOVOGVGLFT-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)CCC1CC1	398242544	ZXORVXPOVIHBHG-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CCN[C@H](CC1(C)CC1)c1ccc(C(C)C)cc1	401520272	NZWKWQXWQAGZKV-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1CC=CCC1)C(C)(C)C	402345317	RXOQHOBWQMWMMB-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C)C(C)(C)C)cc1	687794232	QWIVZKXCGHKLCR-LBPRGKRZSA-N	219.372	4.657	0	10	BJAE	
CC(C)c1cccc([C@H](N)C(C(C)C)C(C)C)c1	688950077	ODPHTCHUIXLGRV-KRWDZBQOSA-N	247.426	4.738	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1[C@@H](O)c1cccc(C(C)C)c1	688983511	OONNFGWZXUZVLT-IKGGRYGDSA-N	246.394	4.526	0	10	BJAE	
C(CN[C@@H]1CC[C@@H]2CCCC[C@H]2C1)CC1CCC1	689016835	ZIDFMRSUSKYGTN-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1CC[C@H](C)CC1	689714660	FHLRKSKKNYKSEK-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)CC2CCCC2)cc1	689720080	RSCMESZMVPTTIT-LSDHHAIUSA-N	245.410	4.614	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1ccc(C)cc1	691143839	ZNENGARQZUVPPA-HOCLYGCPSA-N	231.383	4.766	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)C1CC(C)C1	691900375	CDFPDXSLGWRPHP-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@H]1CCC[C@H](CC)C1	692060655	OEXBBYYGEFHNPN-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@]12CCC[C@@H]1C2	693155314	ZLEKSSUPJLULAO-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1(C)CCCCC1	697759267	FFRNKAZTJGDJCB-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](C[C@@H]1CCCC[C@@]1(C)O)C1CCCCC1	699696482	KCBGMNKLGUFVHC-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@H]1C[C@H](C)c2ccccc2N1	701141188	WMSXIBDUBYLEBB-SWLSCSKDSA-N	231.383	4.801	0	10	BJAE	
CCC1CCC([C@H](O)[C@@H](C)CC(C)(C)C)CC1	704612472	MUJMZZIIAOBCAF-VXGQWTEUSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C[C@@H]1CCNc2ccccc21	704797717	RPFZITFLXAOJJC-KFWWJZLASA-N	243.394	4.802	0	10	BJAE	
CC(=O)c1cccc(S[C@H]2CCCC[C@@H]2C)c1	704910993	YCRDPQOXOGFEAV-NHYWBVRUSA-N	248.391	4.560	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@@H]1CCCC12CC2	706307823	DAXPDQHRVGEOTM-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1N[C@H]1CCCCC[C@H]1C	709165581	FNAURYNJYUFMJL-HIFRSBDPSA-N	231.383	4.630	0	10	BJAE	
C[C@H]1CCC[C@@](O)(C[C@H](C)CC(C)(C)C)[C@H]1C	709255604	ARMLWGQEJAFGKQ-ORIJERBGSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(NCCC2CCCCCC2)cs1	710711362	PZUCVDWUZYTCAH-UHFFFAOYSA-N	237.412	4.829	0	10	BJAE	
C[C@H](C[C@@]1(N)C[C@@H]2CCCC[C@@H]21)C1CCCCC1	712389081	PCSFCPXGRXUDIK-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C[C@@H]2CCCC[C@@H]21	712505279	WJVBAZPEXPVREK-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C(=O)CC(C)(C)C)CC1	713326335	PCNAUPDWMSHZEV-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)(F)F)CC(CC)CC	714024523	DDBKQYPKTJCCJZ-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1coc2ccccc12	718506935	OTKIEGYYTIVIJF-HNNXBMFYSA-N	243.350	4.569	0	10	BJAE	
CCc1ccc(CC)c(NCCC(C)=C(C)C)c1	718511882	GPOALMKYPMZHJS-UHFFFAOYSA-N	245.410	4.970	0	10	BJAE	
CC(C)=C(C)CCNCC[C@@H]1CCC[C@@H](C)C1	718522507	ZSMSBVHRYKFYNA-ZBFHGGJFSA-N	237.431	4.539	0	10	BJAE	
CCCc1ccccc1[C@H](NC)C(C)(CC)CC	721698367	CPOMETRRPLPINF-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CC(C(=O)C[C@@H]2CC23CC3)CC(C)(C)C1	722848714	BZOOBEHTRHBPLH-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccc([C@H]2CCCCCCN2)cc1	725348334	AQAJVTRVAZVKHP-MRXNPFEDSA-N	245.410	4.579	0	10	BJAE	
CCCC[C@@H](CC)CN(C)Cc1cccc(C)c1	1167099992	CAKGJPDPCJFYPB-MRXNPFEDSA-N	247.426	4.643	0	10	BJAE	
CC(C)(C)C1CC(N[C@H]2CCCC23CCCC3)C1	1206017780	WAVOPHNEDLDQET-NRXISQOPSA-N	249.442	4.514	0	10	BJAE	
CCC1(CC)CCCN(C[C@@H]2CC=CCC2)CC1	1308691043	KZTMZHDLOPVLGO-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC[C@H](NC[C@@H]1C(C)=CCC[C@H]1C)C1CCCC1	1560831530	LINBBWIVRKPULE-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)N1CCCC2(CCCCC2)CC1	1645296123	CNMDCVZHVNLIQY-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CC(C)CC[C@@H](C)NC[C@@H]1CCC=CCCC1	1653229831	CFJAUZUFUFGQRE-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC[C@@H]1CCC[C@@H](C)C1	1655042293	HTATZQNHCHFFNJ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NCc2csc(C)c2C)cc1C	1655345624	FAZALMGMKVILDX-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
C1CCCC(CSC[C@H]2C[C@@H]3C[C@@H]3C2)CC1	1656763077	RAFIWCMGNUNNQU-QDMKHBRRSA-N	238.440	4.736	0	10	BJAE	
C[C@H](CC1CCCCC1)NCC1(C2CCC2)CC1	1875411868	CKJFVWOWMBTHNT-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1CCC2(CC2)C1	1876379578	HRCMABMURMFHGV-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
Cc1ccccc1-c1nc(C(C)C)c(C)s1	1901093962	VBJSDQGUDFVCEB-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
Cc1c(F)ccc(CCC2CC=CC2)c1Cl	1901172374	BAZRSUBDVHFRCN-UHFFFAOYSA-N	238.733	4.686	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H](C)[C@H](C)C(C)C)c1	1901712260	XGRLVCTVIAXWLB-NEPJUHHUSA-N	239.790	4.741	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906538309	NDHSCJIJACROGF-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
CCC=CCN[C@@H](C)c1ccc(CCCC)cc1	1911910888	REHIDVBCPSTQDA-HNNXBMFYSA-N	245.410	4.646	0	10	BJAE	
CC=CCCN[C@@H](C)c1cc2ccccc2s1	1912022457	KDPLZMPRVIICIG-LBPRGKRZSA-N	245.391	4.518	0	10	BJAE	
CC1(C(=O)CCC=Cc2ccccc2)CCCC1	1912111220	XYTGWCURCFFWLP-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
CCCCCC[C@@](C)(N)c1cccc(CCC)c1	1920185969	NDFQVNUHELMBLD-QGZVFWFLSA-N	247.426	4.783	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)c1ccc(C)cc1C	1920461786	PUOOBDYTTFSPNI-KRWDZBQOSA-N	247.426	4.694	0	10	BJAE	
CN[C@@H](CC1CCCCC1)[C@H]1CCCC12CCC2	1921596385	WTTDRHQOUIOEIE-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCc2nc([C@H](C)C3CCCCC3)[nH]c21	1924110476	XUDLKAKCKBDRTI-VXGBXAGGSA-N	246.398	4.533	0	10	BJAE	
C[C@@H](C(=O)CCC[C@H]1CC1(C)C)C1CCCC1	1924131133	RUWMGBXFJHDVRE-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cscc2N)cc1	1925106317	VTYSLLUHZSQFDM-JTQLQIEISA-N	231.364	4.511	0	10	BJAE	
C1=C[C@@H](CC[C@@H]2C[C@H]3CC[C@H]2C3)CCCC1	1925815467	WTMXHJCZQFAMCI-FPCVCCKLSA-N	218.384	4.949	0	10	BJAE	
CC[C@@H](NC[C@H]1C=CCCCC1)c1ccsc1	1925818978	GAFRDUWMAYHVNI-DZGCQCFKSA-N	249.423	4.535	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)C[C@@H]1C=CCCCC1	1925924091	HQLLYCFTIMCLLT-ZIAGYGMSSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)CCN[C@@H](CC)c1cccc(C)c1	1926179331	WXVQLPSEURSLRT-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@@H]1CCC[C@@H]1C	1926189213	LZYDRPQXBBOUQX-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(F)(F)CC)CC(CC)CC	1926194272	TUUNJMLDHDLSPY-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)C[C@H](O)c1cccc2sccc12	1926355603	QZTRPVXQQHQHBT-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1ccsc1Cl	1928717943	JENLIJLJCOIKQE-KOLCDFICSA-N	246.803	4.507	0	10	BJAE	
CC(C)c1csc([C@H]2CCC(C)(C)C2)n1	1930907079	FOLVOVMHGUSMPN-JTQLQIEISA-N	223.385	4.560	0	10	BJAE	
FC1(F)CCC[C@H](CC[C@H]2C=CCC2)C1	1932597079	ZFPSDRIHVFWBNG-NWDGAFQWSA-N	214.299	4.558	0	10	BJAE	
CCCCCCC(=O)CCC[C@@H]1CC1(C)C	1935939078	DYWPFPKZCAUIIV-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCN[C@H](CC1(C)CCCCC1)C1(C)CC1	1940407133	IJIKSWJPSMTNKS-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H](C)C1CC1)NCCC	1940724390	SAAOCVUZSIUVHL-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CCC1CCCCC1	1941252785	RHQKCTQXHWXAIM-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@@H](CC(C)C)C(C)C	1941266410	FJCJNVXAFSMZCE-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@@H](CC)C(C)C	1941270973	ABFKCNRIMWVUBJ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)C[C@@H](CC)CC(F)F)C(C)C	1941274243	YMFVJSLZKWGOFH-NEPJUHHUSA-N	248.357	4.699	0	10	BJAE	
CC[C@H](CN[C@@H]1CCCCC[C@@H]1CC)C(C)C	1941929076	MLKPAWDOXQVJGL-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)c2sccc2C2CC2)C1	1942502051	RYKJAKBAINSILG-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@@H](C)CCC(C)C	1942659470	JSVYRDODPAHMDT-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNC)C[C@@H]1CCC[C@H]1C	1944836652	MKEZFVIPFVHRMZ-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCC1)C(CC)CC	1947575145	FKXXOJXTJAZYGI-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)CCCCCC1CC1	1948321394	JHBYUGILZLUJGY-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1CC(C)(CC)C1	1948407195	LIXKLZTXPWVSED-UIDBIOKJSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	1948597439	XQPACONUCCFYLG-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CCC[C@H]1CC1(C)C	1949053107	FGNWOFBSVGDIDI-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CC[C@@H](C)C3)c12	1949497756	KZHXWXVNYKAXPZ-IUODEOHRSA-N	227.351	4.565	0	10	BJAE	
CCN[C@@H](CCCC[C@@H]1CC1(C)C)C(C)(C)C	1949830924	PEKCHCAVJXIGAY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)C1(CC)CCC1	1951234062	BINLFMIAENRLAS-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C1CCC(CCN2CCCCC3(CCC3)C2)CC1	1967783320	YFIAIHDJOPXRHD-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CC1(C)CC2(CC(N[C@H]3CCCCC3(C)C)C2)C1	1969954657	OQVJXNSIGZVMHU-AWEZNQCLSA-N	249.442	4.514	0	10	BJAE	
CC(C)CN(C[C@H]1CC[C@H](C)C1)c1ccccc1	1970692611	SQHASLQOPBNECJ-HOTGVXAUSA-N	245.410	4.585	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)c1csc(C)c1	1973164944	ZGVDAIXMDYXHRW-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)CCC=C(C)C	1988781067	RBGRQHGSIZDEQT-OAHLLOKOSA-N	225.420	4.667	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1C[C@@H]1CCC	1993071614	GKEAHLLUEFQROE-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](C)(O)CCCCC(C)(F)F	1993579421	AWKRLDGAFCULOV-LBPRGKRZSA-N	236.346	4.533	0	10	BJAE	
CC(C)Cc1csc([C@@H]2CCCC[C@@H]2C)n1	1995463425	JTQSGXGTZTWROI-WCQYABFASA-N	237.412	4.635	0	10	BJAE	
CC(C)=CCCNc1ccccc1SC1CC1	1996556160	WEYOGSXJRKFEFF-UHFFFAOYSA-N	247.407	4.709	0	10	BJAE	
CC(C)=CCCNc1ccccc1SC(C)C	1996570033	KNJYLBHILMVGNQ-UHFFFAOYSA-N	249.423	4.955	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H]1C=CCCCC1)NC	1996618761	XGJHKMGPVRMHBP-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC2(CCC2)C1	1998696799	RTHBQFPQRVWXEG-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCNCCC(C)(C)C[C@@H]1CCC=CCCC1	1999996899	SXPZKQGYLFSGPF-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
Cc1cccc(S[C@H]2CCCC(C)(C)C2)c1N	2000049347	XMYCRMBBHGFERY-LBPRGKRZSA-N	249.423	4.638	0	10	BJAE	
C=CC=CCC[C@](C)(CCC)CNCC(C)C	2000516931	ZHIOVHQOKWOHET-INIZCTEOSA-N	237.431	4.561	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(N)CC2(CCCCCC2)C1	2000665164	APAZEAOLXNDPOE-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCCN(CCCC)C1C[C@H](C)C[C@@H](C)C1	2000903505	RQFRMIIGXAXUTI-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@@H]1CC12CCCC2	2001254583	KFZACZXDLCFKJW-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@H]2C=CCCCC2)CC1	2003067936	BULDKUQGLCZGFT-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](C2(O)CCCCCCCC2)C1	2003110104	AWKKDLGCHOWZQG-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCCCC(F)(F)C1	2003175146	JEJPBCZNYYNVQI-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@@H]1CCC2(CC2)C1	2003219533	ZNLTYTSIKSHLRA-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C(C)(C)C1CCC1	2004227051	KGIHSETVKUJFPY-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(NCC2(CC)CCC2)CC1	2004348725	FVUFQXJHUQAHET-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@@]1(CNC)CCCCC1(C)C	2005581936	CIKDZJGNRNGLCF-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(C)n1C1CC[Si]2(CCCC2)CC1	2007058867	JGXCFPDEKJHLDC-UHFFFAOYSA-N	247.458	4.682	0	10	BJAE	
CC(C)=C(C)CCNCC1(C)CCC(C)CC1	2007683313	NEGCIALTXCIJNK-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC=C(C)[C@H](N)[C@H]1CC[C@H](CCCCC)CC1	2007856802	GHOCKPQQCXVQSE-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CC=C(C)[C@H](NCC)C1CCC(CCC)CC1	2007860178	LHTPGLWCSQYYMM-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCN(CCC(C)C)CCC(C)C	2009574223	AXEGSQUCQFIQTI-UHFFFAOYSA-N	239.447	4.737	0	10	BJAE	
CC1(CC[C@H]2C[C@@H](C(C)(C)C)CCC2=O)CC1	2009605395	MVTQHVVWWFBJTR-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@H]1CC[C@H](CC)CC1	2009615752	BORMXRWBDWRFAN-PSVUTLLTSA-N	237.431	4.537	0	10	BJAE	
C=C=CCCNC(CCCCC)CCCCC	2009767147	CXXXUYNTDCMQTJ-UHFFFAOYSA-N	237.431	4.836	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCCCC12CC2)C(C)(C)C	2011273818	FLIWAUFDMQBPHP-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H]1C[C@H](NCCC)CC2(CCC2)C1	2012042071	QOHOQUKMIFQDDO-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)CC1CCCC1	2013264665	OXZIANYNFADERS-GOEBONIOSA-N	239.447	4.760	0	10	BJAE	
CC(C)[C@H](C)C[C@H](O)c1cccc2ccsc12	2015277505	HMMAAZFAKXTEHO-RISCZKNCSA-N	248.391	4.617	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@@H](C)C(C)C)cc1	2015282220	TVRZHDIBGWBOAE-CZUORRHYSA-N	234.383	4.526	0	10	BJAE	
CC(C)C(C[C@@H](O)C1CCCCCC1)C(C)C	2015285786	ZMINOCYDXWANFP-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC1CCC(C(=O)CC2(C(C)C)CCC2)CC1	2017124028	DQYBSFKWZFFBGM-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(=O)CC1(C(C)(C)C)CCC1)C1CC1	2017124827	WQENDQALXMFINB-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCCC[C@]2(C)O)CC1	2017716150	PZOZKXVEMSTVCW-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@H](C)CCC)CC1	2017721470	KNOPNUBNTOMEGH-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@](C)(N)CC1CCC(CC)CC1	2017739572	UKSUKWQJWQFRJP-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CC)N(C)CC1CC(C(C)C)C1	2018185510	QTNFIUQBUTWPJA-GPANFISMSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)C(C)(C)CC	2018997157	AJYJDBCAYRYPHS-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCCN([C@@H](C)c1ccccc1)[C@H](C)CC	2019112615	CNUGMAOWRLCODV-CABCVRRESA-N	233.399	4.648	0	10	BJAE	
CC(C)Cc1csc(C2CCC3(CC2)CC3)n1	2026527264	RBWFPPNBFMYNTC-UHFFFAOYSA-N	249.423	4.779	0	10	BJAE	
C[C@@H](CC(=O)CC[C@@H]1CC1(C)C)c1ccccc1	2027815465	NTEXJOOOYYGGRB-DZGCQCFKSA-N	244.378	4.576	0	10	BJAE	
CC1(N)CCC(=C2CCC(C(C)(C)C)CC2)CC1	2028114484	HLTPZKXUOOPZHM-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)CCC=Cc1ccccc1	2028233643	YODTXVSNSPCVQR-IRXDYDNUSA-N	246.394	4.523	0	10	BJAE	
CC(C)Cc1ccccc1[C@H](O)CCC(C)(C)C	2028928700	XZIVAWULTGYVOX-MRXNPFEDSA-N	248.410	4.745	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1ccccc1C1CCC1	2029075308	QGKJKBDCYJXDMH-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CN[C@@H](c1ccccc1)C(C)(C)C1CCCCC1	2032340744	DAGGMKIFIVJVFE-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1ccc(OCC2[C@H]3CCCC[C@H]23)cc1	2032784086	SUYITHDGJYICEF-HOTGVXAUSA-N	244.378	4.625	0	10	BJAE	
CC(C)=C(C)CCN1CC[C@@H]2CCCCC[C@@H]2C1	2036503579	UOEBSRJEXVFSPU-DLBZAZTESA-N	249.442	4.635	0	10	BJAE	
N[C@@]1(C2=CCCCCC2)CCCCC12CCCC2	2037094833	UPMDWNBOYPVPJB-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@H]1CC=CCC1	2037167213	QTFUZVGGKLWPFV-ZOBUZTSGSA-N	247.426	4.587	0	10	BJAE	
CCC1(C(=O)Cc2ccccc2C(C)C)CCC1	2039724998	RYEDRECKVDVIQC-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2cccc(F)c2)CC1	2041383278	MOWPTXNSGUQPMF-QWHCGFSZSA-N	248.341	4.615	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H]2CCC23CCC3)CC1	2041541784	SVYKRXQBLTYUTQ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC1[C@H]2CCC[C@H]1CC2	2042046350	AIESOINMDCYTCQ-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC(C)(C)C1)C1(C)CC=CC1	2045392212	SLGJEIWAKTYYKX-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c([C@H](N)[C@@H]2CCCC(C)(C)C2)c1	2045507579	TZNQLROLVOYPCL-GDBMZVCRSA-N	245.410	4.520	0	10	BJAE	
CC(C)CCCC(=O)CCC=Cc1ccccc1	2045566926	WHPXZVVFVMRZPA-UHFFFAOYSA-N	244.378	4.875	0	10	BJAE	
CCCCN(C[C@@H]1C=CCCC1)c1ccccc1	2046579441	PWFDLCRCDFTHGR-MRXNPFEDSA-N	243.394	4.649	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@@H]1CC12CCCC2	2047013020	SIRVCNRGFZOXAC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)C[C@@H]1CC12CCCC2	2047058726	LJLILIHTWABKHL-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C1CCC(NC[C@@H]2C[C@H]3CCCCCC[C@@H]32)CC1	2047410910	WJKWLBUQNIKBIU-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C[C@@H](N)[C@@]2(C)CC=CCC2)C[C@H](C)C1	2047687537	SPXGHULXQNTYRU-SRABZTEZSA-N	249.442	4.523	0	10	BJAE	
C1CCCC(CCNC[C@@H]2CCC23CCC3)CC1	2047957490	AIYSNEPYRXWWIV-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
O=C(CCC1CCCCC1)C1[C@H]2CCCCC[C@H]12	2048371773	RUQCXLOXZVRUHH-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc(OC2[C@H]3CCCCC[C@H]23)cc1	2049192541	TUVJUGIKJFNUAQ-HOTGVXAUSA-N	244.378	4.768	0	10	BJAE	
CCNC[C@@]1(C[C@@H]2C=CCC2)CCCC(C)(C)C1	2049510658	FUTANZAVOKJQAD-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)C[C@H]1CCC2(CC2)C1	2049851891	CPRLSJXJKNMPDU-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CCC1([C@@H](N)CC2CCC3(CC2)CC3)CCCC1	2049853352	DQERBXXKHZJAIN-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@H]1CCC2(CC2)C1	2049854076	LJQIDEXINBAPNJ-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)CC1CCC2(CC1)CC2	2049855438	MBYUKHBVYGXVCL-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@H](O)CC[C@@H]2C=CCCCC2)cc1	2050441254	LMQNVRPCDOOQDV-NVXWUHKLSA-N	244.378	4.555	0	10	BJAE	
CCCN[C@@H]1[C@H](CC=C(C)C)C[C@H]2CCCC[C@@H]21	2051401259	GZMDWAUQUVEPDC-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@H](C[C@H]2CC=CCC2)C1	2055016331	MBKZWVCXVQVLMO-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC(C)=C1C)[C@@H]1CC1(C)C	2055549010	HGQANDIAGZEACO-XHSDSOJGSA-N	249.442	4.680	0	10	BJAE	
N[C@@H](CCC1CCCCC1)CC1CC(C2CC2)C1	2056650499	HIDAPRJTPKKRSO-PREGVCBESA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@@](C)(N)C=C2CCCC2)CC1	2056906214	AWPMAXKVCZQTMX-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCC1(C2CC2)CCCC1	2057649318	PZACMUDOVFGHLR-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1CC(CC2CC2)C1	2059254160	XNYUYZRPFXFUCH-XFJXHMJPSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C1=CC[C@H](C)CC1	2060922423	RMLKAWRTWGQDBY-GUYCJALGSA-N	244.378	4.590	0	10	BJAE	
CC1(C)CC[C@](N)(C2=CC[C@@H](C(C)(C)C)CC2)C1	2061113844	SEROMJDXFXLXDG-CXAGYDPISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@@]2(N)CCCCC23CCC3)CC1	2061118442	HDGKFUGAXRMIOF-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
C=C=CCC[C@@]1(CNC(C)C)CCCC(C)(C)C1	2061563215	MPZJJBBVMSWUMY-QGZVFWFLSA-N	249.442	4.692	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1CC(=C2CCC2)C1	2061729821	ARTKVEITTBLTID-BLLLJJGKSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](C1CC(=C2CCC2)C1)[C@@H](C)[C@@H](C)CC	2061741087	HDGCDWVGRKKCKD-DCGLDWPTSA-N	249.442	4.537	0	10	BJAE	
Cc1cc([C@@H](C)N[C@H](C)C2(C)CCCC2)c(C)o1	2067508411	LOCRGRGDRIGTBE-TZMCWYRMSA-N	249.398	4.516	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)C(C)C)c1cccc(C)c1	2069017989	XIBPUVQFOXYSKB-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CCCC1(C[C@H](CC2=CCCCC2)NC)CCC1	2069345014	QESAEBAWMFMBHN-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C1CCCC(CCNC2(CC3CC3)CCC2)CC1	2069496524	PBBNRLQXGGJTNY-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccc2c(c1)CCC2	2070399601	RNUBFCKORKZGGM-CQSZACIVSA-N	243.394	4.722	0	10	BJAE	
C1CCCC(CCN[C@H]2CC[C@@H]2C2CCC2)CC1	2071789393	KDYHIMWOEOOROG-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(OC)cc1C	2073348197	WGRGQDNJGOHRQA-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CC(C)c1ccc(OC[C@@]23CCCC[C@H]2C3)cc1	2074089837	GGOYPUTZBYAILL-RDJZCZTQSA-N	244.378	4.769	0	10	BJAE	
C1=C[C@@H](N2CC[C@H]2C2CCCCC2)CCCCC1	2074801804	IYZVHBXLTBSGHI-SJORKVTESA-N	247.426	4.530	0	10	BJAE	
CC=C(CC)[C@@H](NC)c1ccccc1C1CCC1	2077189973	NJCWXZNZTSYODH-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC=CCCC1)[C@@H]1C[C@H]1C	2079228744	ZCLBQTAMTLBGFX-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@H]2C[C@@H]2C2CC2)CC1	2079324333	MYECDJMRUFIUSG-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(N[C@@H]2C[C@@H]2C2CCCCC2)CCC1	2079533128	WEMVCPAKOJEMJF-IAGOWNOFSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1C[C@@H]1c1ccccc1	2079844363	VCEZOMQHXVONPW-CWRNSKLLSA-N	244.378	4.576	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@@H]2C2CCCC2)C1	2079864332	MGGFKYYIEPRVEV-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C[C@@]1(N)CCC2(CCCCC2)C1	2079887225	UTYIAHKDMRPHMK-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2C[C@@H]2C(C)C)cc1	2080024382	BMYSZEYEMWMHFF-JLJPHGGASA-N	245.410	4.904	0	10	BJAE	
CCCN[C@H](c1cc(C)cc(C)c1C)C(C)(C)C	2082918994	MHTQFKVDXDUJGN-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CCc1ccc(N)c(-c2ccc3ccccc3c2)c1	2095474085	ZCFDTKZXUDYSCJ-UHFFFAOYSA-N	247.341	4.651	0	10	BJAE	
CCC[C@](N)(CC)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213296072	GTTFYWTUIHKPDE-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)CCCCC1CC1	2214569049	MCESFEWXWLHSFN-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)CC2(C)CC(C)(C)C2)C1	2215438359	UKWPWRZPYJZECA-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](NCC)[C@]1(C)CC=C(C)CC1	2215818522	ROZLYHCGAOPMSP-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H]2CCCC[C@H]2C)CC1	2215821189	MFNAZQWALMIDQY-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C)NC[C@H](C)C[C@H]1CC[C@H](CC)CC1	2217159295	MDAFDGZWKKACPR-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CN(CCCCC1CC1)[C@H]1CCC12CCCCC2	2218673778	XCNQXLQBPCFWAW-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1[C@H]2CCCC[C@H]21	2218724043	FHONAKCDGBOBHX-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NC1CCC(C2CC2)CC1	2218891378	DAIZEDMWYHVZJL-XGHPGWEVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1c(C)cccc1OC	2220294828	QKYQPRLSVCAVGK-TZMCWYRMSA-N	249.398	4.630	0	10	BJAE	
CC1=CC[C@H](N[C@H]2CCC[C@H](CC(C)C)C2)CC1	2221659530	GNMJNBLHNPBCCJ-IKGGRYGDSA-N	249.442	4.680	0	10	BJAE	
C(CCCC1CC1)CCCN1CC[C@@H]1C1CCC1	2223106083	QHTUCKKVCJEJAA-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
C(CCCN[C@@H]1CCC[C@@H]2C[C@@H]21)CCCC1CC1	2223107488	YNSCXCDOCWLENE-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@@](N)(CCCCCCCC1CC1)c1ccco1	2223154065	HEARNOXWFIFIAZ-MRXNPFEDSA-N	249.398	4.594	0	10	BJAE	
CC(C)CC(O)(CC(C)C)CC1(C)CC(C)C1	2246542388	GGMNPYHOHAILIR-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CC1([C@H](O)c2cc3ccccc3s2)CCCC1	2246853993	JTRNONDYWCQKLE-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@H]1CCC12CCC2	2247307539	CSYAVWIHEZDWRP-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@@H]1CCC12CCC2	2247443696	VZQDNZIIFQUHPO-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
Cc1ccc(O)c(-c2cc(C)c(Cl)cc2C)c1	2249087396	SNXMYUQURGLBLF-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
Cc1cc(C(=O)CC[C@@H]2CCC[C@H](C)C2)c(C)o1	2253937303	HWLNUJOTCJENHO-FZMZJTMJSA-N	248.366	4.686	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@]1(N)CCCCCC12CC2	2254589249	IWOPRZGORVLIPY-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@H]1CC[C@H](C)CC1	2255054146	SWIHEQSTKQTEBF-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
C[C@H](NCCC1(C)CCCCC1)[C@@H]1CC12CCC2	2256429753	WGBKFVXKIDQNGN-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](Nc1ccccc1C1CC1)[C@@H]1CC12CCC2	2256443423	OFRJMWIOQQIVOM-WFASDCNBSA-N	241.378	4.555	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)c1c(C)cc(C)cc1C	2259443964	NQOVEONLHUCQGI-WBVHZDCISA-N	247.426	4.699	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@@]12CCC[C@H]1CC2	2260584004	SHJSRLPMTRLAGE-JKQORVJESA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC[C@H]2C[C@H]2CC)CC1	2298124654	KCMXLZRHPUBZLM-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@]1(C)C=CCC1	2300680503	FCYOVXMZXOBAPC-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C(C)(C)C1CC1	2300682600	AFCVQNJZGSRGEZ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](CC[C@@H]1CC1(C)C)NC	2300684469	VBVZERPUCWMFHT-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@@H]1CC=C(C)CC	2300898546	FSIBOOCVQHLNSC-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]([C@@H](C)[C@@H](C)C(C)C)C(C)(C)CC	2301841548	WEOWADWBURIUCS-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)CCC1=CCCCC1	2301920490	CPIKZTIZAQRVGE-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
CCNC[C@](CC)(C(C)C)[C@@H](C)[C@H](C)C(C)C	2301957120	YHIZKWKYDIKTST-OWCLPIDISA-N	241.463	4.577	0	10	BJAE	
Fc1ccc(NCCCC2=CCCCC2)cc1	2302331277	KPPGOQLKQRSBJO-UHFFFAOYSA-N	233.330	4.518	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)CCCC1CC1	2302341341	WCTSASNGCHXLDF-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CC[C@@H](C[C@]2(O)CCCC(C)(C)C2)C1	2302723844	WQUQTUZTJKFMRO-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)CC2=CCCCC2)C1	2302747482	DVSGWAMSCHPFMR-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@@H]1CCC(C)(C)C1	2302883012	QIKDOWPNYSKNMN-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
Clc1ccccc1NCC[C@@H]1CC[C@@H]1C1CC1	2303159888	SAYBYWNMWKAQIQ-QWHCGFSZSA-N	249.785	4.578	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H]2CCC(C)(C)C2=O)CC1	2303527918	YNASJHJMDCCINO-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1CC)CC(C)(C)CC	2303569247	NXJVTMQADSTZKW-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CNC(C)(C)C)C1CC1	2307834322	IYBVRGAWGOZUNV-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CC(C)(C)C[C@@H]1NCC	2307903496	OVDLXBXMRCOYLD-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](N[C@H]1C[C@@H]2CCCC[C@]2(C)C1)C1(C)CCC1	2309528344	SQVRJBUMWBGTMY-WBTNSWJXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(C[C@@]23CCCC[C@@H]2CC3)C1	2313344759	XKEHANNVBVQZLG-NCOADZHNSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]23CCCC[C@@H]2CC3)[C@H]1N	2313348027	ZJITZHLTBIPBQE-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@H](C)NC(CC1CC1)CC1CC1	2315425562	ZBOHQEQSJLGMEY-AWEZNQCLSA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1cccc(C)c1F	2316501780	IIOKNACEBAEVPC-OAHLLOKOSA-N	249.373	4.531	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317040682	RGVSDXAGQSKNKH-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@@H](N)CCC1=CCCCC1	2317972780	AWTCNURSUUEQTI-HRCADAONSA-N	249.442	4.667	0	10	BJAE	
CC(C)C1CCN(CCCC2=CCCCC2)CC1	2318584145	XEVPYFTZYUIIBL-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CCC(C)(C)C2)c(C)c1	2319290415	GHOKRFQHKQDXJE-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
N[C@@H](CC[C@H]1CC[C@H]1C1CC1)C1CCCCCC1	2319752346	XOHPVBZGRNJQCC-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(N)CCCCC12CC2	2320259493	VJAVETMRVNQDAO-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@@]1(N)CCC=CCCC1	2320321245	XKHWSTSGTBOBCF-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CN2CCCCC23CCC3)CC1	2320325973	AYGUVIMHGBVMCZ-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@H]2CCCC2(C)C)CC1	2320338126	SHCGBQVTZXXCJR-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](CNc2ccc(C)c(C)c2)CC1	2320410100	ARKACDITWIGCOS-MRXNPFEDSA-N	243.394	4.852	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H](C)C2CC(C)(C)C2)CC1	2320415907	FPNYUTSHDAIPCB-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)CCC2CCCC2)CC1	2320416685	MLARLKMKBBDFLF-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCCCC[C@H]2C)c1	2321088948	GYKCALKLMVUTLB-WBMJQRKESA-N	249.373	4.769	0	10	BJAE	
CCC1CCC(N)(C23CC(CC(C)C)(C2)C3)CC1	2321587405	ABJFKOGBTNBQTO-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@](C)(N)[C@H](C)C(C)C)c1	2327676371	WCKSZCCWCNZUAJ-RHSMWYFYSA-N	247.426	4.584	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)c1ccc(CC)cc1	2328212372	GUNUHUHDPZJRHM-DOTOQJQBSA-N	248.410	4.673	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](NC)c1cccc(C)c1	2328293886	QTKHVYADNYEZEW-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1C(C)C)C1CC1	35494030	FOLUNLUPSUYOGC-KRWDZBQOSA-N	245.410	4.604	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(CC(C)C)cc1	36468281	VDSMFLLAULVDFQ-KRWDZBQOSA-N	248.410	4.889	0	10	BJAE	
CCCCCC(CCCCC)NC(C)C	37186264	ARLNEPSYVJDMRT-UHFFFAOYSA-N	213.409	4.514	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)CCCC	37318102	SBNKULMBFJFWLL-KGLIPLIRSA-N	213.409	4.514	0	10	BJAE	
CCCC[C@@H](CC)Nc1cc(C)ccc1C	68985692	KSNIWPSEMQYGKB-CQSZACIVSA-N	219.372	4.684	0	10	BJAE	
CCc1ccc(CC)c([C@H](NC)C(C)(C)CC)c1	70440557	GNOOCMSETCPCNO-INIZCTEOSA-N	247.426	4.508	0	10	BJAE	
CC(C)CC[C@H](C)NCC[C@H]1CCC[C@@H](C)C1	70537646	VSGDLXUGIUAUKB-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC[C@H](N)C1	70742189	QYJOZEQEXMCUDJ-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)c2cccc(C)c2C)C1	71153899	CRUIOQJZRLHKIV-VYDXJSESSA-N	246.394	4.553	0	10	BJAE	
C[C@H]1CC[C@@H](C)[C@H](Nc2ccc(Cl)cc2)C1	82857319	TWTLMHFWFFFFCR-MISXGVKJSA-N	237.774	4.577	0	10	BJAE	
CCC1CCC(Oc2ccc(Cl)cc2)CC1	85150270	UZHCIJDBMFQLEX-UHFFFAOYSA-N	238.758	4.688	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C2CCC(C)(C)CC2)c1	87941596	AGWUUQHFYLSHPP-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@@H](C)NCc1ccc(CC(C)C)cc1	94896337	ZZSYJTRCUAYAFI-OAHLLOKOSA-N	247.426	4.553	0	10	BJAE	
CC[C@H](C)c1ccc(/C=C/CCC(C)(C)N)cc1	98128238	QXWAMQFDSGLBMC-OWNNVSBGSA-N	245.410	4.731	0	10	BJAE	
CC1(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1	111619813	JQYUYRDXPXJUTK-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(O)([C@@H]2CCCC[C@H]2CC)CC1	111745434	URXRSAHNNLCJDG-LVDPKSTMSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC(=O)C12CC3CC(CC(C3)C1)C2	127658473	CZMRFVWWEMPLKB-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCCCn1ccc2c(OCCC)cccc21	128853702	PVDOGWFPRYQDKB-UHFFFAOYSA-N	245.366	4.620	0	10	BJAE	
Cc1ccc(C)c(OC2C[C@@H](C)C[C@H](C)C2)c1	130393226	YYJLJPZCIWZPDW-STQMWFEESA-N	232.367	4.507	0	10	BJAE	
CC[C@H]1CC[C@@H](c2nc(C(C)C)cs2)C1	131954253	IJPSSITYMUGCSX-WDEREUQCSA-N	223.385	4.560	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C[C@H](C)CC	161424218	SIRKCFBKGXVXIC-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CC(C)CC1([C@@H](N)CCC(C)(C)C)CCCC1	163357555	FRLLBTNSTFQAJF-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H]1CCC[C@@H](C)C1)CC(C)(C)C	168957364	PPZRBPWXRTTXJI-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CC/C(=C\C1CCCCCC1)CNCC(C)C	211667505	SWUDBAWZBINJMX-RVDMUPIBSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2CCCC2(C)C)C1	226788800	MZIPKTHFOZEQPK-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@]1(N)CCCC(C)(C)C1	226900467	IOOGBMOVHOVEGH-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCCc1ccccc1	229332143	HOLSDZAZOWHFCG-DLBZAZTESA-N	248.410	4.587	0	10	BJAE	
CCCC(CCC)Nc1cc(F)c(C)cc1F	232896207	PULBDYQSPAACOK-UHFFFAOYSA-N	241.325	4.654	0	10	BJAE	
CCC1([C@H](O)C2=CCCCCCC2)CCCC1	232903942	OYJGCBASCOGYMW-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CN[C@@H]2CCC[C@@H](CC)CC2)CC1	233034744	JLOFXLILYZZQMF-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CCCC[C@H]1CC	253046593	QADFKZBEWYKHQS-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1(C)CCCCC1	300244850	CJSCNOYHZBEWCT-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCC2CCCC2)CC1	302242645	GFFKUVSDBCNLOH-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CNC[C@H]1CCCCC[C@H]1CCCC(C)(C)C	302263637	FRNBQNQEJGTOQA-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(COC)cc1	302293600	LBAGHEULXZDFGU-CQSZACIVSA-N	249.398	4.604	0	10	BJAE	
CCc1ccc(N[C@H]2CC(C)(C)C[C@@H]2C)cc1C	302362912	YIBYBVSERIJKHN-BBRMVZONSA-N	245.410	4.794	0	10	BJAE	
Cc1cc(C)c([C@H](O)C[C@@H](C)CC(C)C)c(C)c1	305927839	JDDCREQWFGZNOZ-BLLLJJGKSA-N	248.410	4.718	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1cc2ccccc2o1	305998307	KJXIZDHQYXWOBH-WBMJQRKESA-N	245.366	4.520	0	10	BJAE	
CCCCCC[C@@H](O)C(C1CCC1)C1CCC1	306114425	VOVIQTGHIHUVCX-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCc1c(Cl)ccc2c(Cl)csc12	307058468	GBDUVEQYRICNHE-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CCC(C)(C)C	308047752	IBUJGXUEQFXAJB-UONOGXRCSA-N	227.436	4.602	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)C[C@@H](C)CC(C)(C)C1	309995358	SDKJAVAFJJIACQ-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@@H](C[C@@]2(O)CCC[C@@H](C)CC2)C1	310135886	LXZZZTXLTYTUGL-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(C[C@H](O)C(C)(C)C(C)(C)C)CC1	310542594	CSAUOJBZKFMNET-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)C[C@H](C)c1ccccc1	310571555	WBGWOZGEXJRPTB-YQQAZPJKSA-N	248.410	4.613	0	10	BJAE	
CCN[C@H](c1cccc(C)c1)C(C)(C)C(C)(C)C	310890222	UELMWEPHOHHSCL-OAHLLOKOSA-N	247.426	4.718	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](C)[C@@H](N)c2ccccc2)C1	310979788	JMKQAZJAGYGDDY-PNBKFKSVSA-N	245.410	4.539	0	10	BJAE	
CCCCCC1(CNCC)CCC(CC)CC1	317156890	QXAGLQBPWXYMNY-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)NCC1(C2CCC2)CCCCCC1	318534075	JOVKBZUZPNWNLV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@]1(CNCCC)CC[C@@H](CC)C1	319279997	MLASFQKMLOEJHK-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
C[C@H](Cl)/C=C\c1cc(Cl)ccc1Cl	379342551	FPYCCIUABHXQAW-XDVGHUOJSA-N	235.541	4.634	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC(C)(C)C1	383206934	PDQQDZKYJXTCGQ-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1cc(F)ccc1Cl	384544061	FJLLCLPIJIPFAA-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)C1(C)CCCCCC1	394586043	GJKXWBASGMITIM-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](Nc1ccc(SC)cc1)[C@H]1CC1(C)C	397638605	XTFRAUIZSCOUDI-KGLIPLIRSA-N	249.423	4.645	0	10	BJAE	
C[C@H](CC(=O)C1CCC(C)(C)CC1)C1CCC1	398617634	CXTHXPRIKBFPHS-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@@H](C)NC[C@@H]1CCCC[C@H]1CC	401969349	XVTUZCVWSAKTBD-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)CCC(C)(C)C1CC1	406067611	PLYSMJYPGCHFIE-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H](CCCC2CC2)c2ccccc2N1	406105230	KCDXRVVJJNMTIG-TZMCWYRMSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(O)CC2CCCC2)C1	689766901	OATDRSDFKZLDRG-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
Fc1cccc(NC2CCCCCC2)c1Cl	690268759	TVZZFVMBORXCEZ-UHFFFAOYSA-N	241.737	4.614	0	10	BJAE	
CCC[C@@H](C)Nc1cc(C)c(Cl)c(C)c1	690287980	NICPNLCXOFSAFR-LLVKDONJSA-N	225.763	4.557	0	10	BJAE	
CC[C@H](C)CC(=O)c1cccc(C(C)(C)C)c1	691696225	HDDHOEOEPCKOBS-LBPRGKRZSA-N	232.367	4.603	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H]1CCCC12CCCC2	695099264	OELSHXSZVKGFJA-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](CCC(C)(C)CC)C1	696704593	REZIPNQHKOMKSI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@@H]1CCCCC1(C)C	697757231	WNMTZMTVRAYLJT-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCc1cc(C)c(C)cc1C	698085531	RJLLVJQKTNPBNV-UHFFFAOYSA-N	202.341	4.511	0	10	BJAE	
CC[C@@H](NCCCCC(C)C)C1CCCCC1	703954394	KLGMLMRZXSRASE-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC(C)(C)C[C@H]1C	704941433	ZUDCYIMWERUIOW-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C1CCC1)C1CC1	705286323	AQRJKMOZKFTGPD-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@H](C)C1CCCCC1	709224013	YUSZIHLVKYSQHO-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC1(C)CCCC1	709233214	DXLUNOMWQLNKHL-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1C[C@H]2CC[C@H](C2)C1	711048199	KNVAZBIPURAJIU-MIFYACCESA-N	243.394	4.548	0	10	BJAE	
CC[C@H](C[C@@H](CCC(C)(C)C)NC)C(C)(C)C	711100438	YXAQCXALVKLXSX-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCc1ccccc1[C@@H](CC(C)(C)C(C)C)NC	713241279	RFDFVTYVOCSZMO-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
CCc1ccc(C(=O)CC(C)(C)C(C)C)s1	713366090	OGRFEOGBRZXIBT-UHFFFAOYSA-N	238.396	4.566	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)c1ccccc1C	713734701	LIGCVOHZDQQSKK-LXXRFIIISA-N	243.394	4.558	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C(C1CC1)C1CC1	718529547	UOMIXRBHPYZDJO-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@@]12CCCC[C@@H]1C2	719263785	DJJGBTVQTRVAMP-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CNc1ccc(-c2ccc3ccccc3c2C)cc1	723887300	ABPFAPISHWPIKE-UHFFFAOYSA-N	247.341	4.857	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC2(C3CCC3)CCC2)C1	1653842203	YRPRKLHRFDMYNY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CCCC(C)(C)CC(F)F	1888065569	HADGCOQHGUIXBL-UHFFFAOYSA-N	204.304	4.804	0	10	BJAE	
CCC(CC)CCC[C@@H](O)CC1CCCC1	1900709720	NJMIQPWJADRXIS-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC)CN[C@H](C)CC	1905379777	BWJDWPWESHAQDW-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CCC(=C[C@H]1CCC[C@H](C)C1)CNC(C)(C)C	1905427797	VFDLSAZQCXUAIE-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC[C@](O)(C[C@@H]1CCC[C@H]1C)C1CCCCC1	1905721927	CLAKKXKPPUECLJ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
N[C@H]1CCCCCCCC[C@H]1CC1CCCC1	1913404092	MHZNLVTZDBXUTL-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(O)CCC2(CCCCC2)C1	1915854128	FUDWGCAEMQWQCQ-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)[C@]1(CNC2CC2)CCCC12CCC2	1921609262	CPNZBXNLHXFUKB-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	1924100864	ZGPPKGASGHJSBP-BFJAYTPKSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCCC1)C1(C)CC(C)(C)C1	1925809464	ISSXQLSERFHEIC-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
Fc1ccc(CC[C@H]2C=CCCCC2)cc1F	1925824739	OQCXGZJTFVJYHN-LBPRGKRZSA-N	236.305	4.644	0	10	BJAE	
CCC[C@H](C)C[C@H](CC(CC)CC)NCC	1926377553	GRPTWVKOKWNDNL-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CC[C@](CN)(CC2(C)CCCCC2)C1	1940400970	GSNVJDQPNDHNAY-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CC(C)NC[C@H](C)[C@H](C)CC1(C)CCCCC1	1940411614	XLBCGEIMNJVFEY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)NCCC[C@@H]1CC1(C)C	1940878349	VUFIHIBRTKYJLW-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@@H](O)[C@H](CCCCCC2CC2)C1	1941580532	AZCCPLQTLONRJT-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@@H]1CC12CCC2	1944508917	BTJGAQBIRHTPIV-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@H]1CCC[C@H]1C	1944858754	GDKSLLFJWWEORQ-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CC1(C)CCCCC1	1948321134	FMPREHONYWGYFD-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC1([C@H](N)C[C@H](C)C2CCCCC2)CCC1	1948934816	LABIGFLZAPKVOD-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@](N)(CC)CC1CCCCC1	1949029798	KYNQLYTWLGYGBH-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CCC[C@@H]1CC1(C)C	1949053108	FGNWOFBSVGDIDI-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCC12CCC2)c1cccs1	1949323525	BKDUIIRPRYMNPT-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC1CC(C)(C)C1	1949736349	OFTDTPQHPMRDTC-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CNCCC1CC(C)(C)C1	1949849166	ZNEIEHDFKWEFNR-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@H]1CCC2(CC2)C1	1950262515	IOJPVYGBHFMBJM-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H]([C@@H](C)CC)[C@@H]1CCCC(C)(C)CC1	1950913263	FYCZICQTKNLXJL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@]1(C(CC)CC)CCC[C@@H](C)CC1	1950928784	AUTBOQIMGYBMCH-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC([C@@H](C)N[C@H]2CC23CCC3)CC1	1970002279	BTIPXNAFUOJDOG-LMPOIIKSSA-N	249.442	4.514	0	10	BJAE	
CC1(c2ccc(N[C@@H]3CCCC3(C)C)cc2)CC1	1973403391	IREQOWIMGQJILC-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
CCCCCC[C@@](C)(O)C1(C)CCCCC1	1975570014	CAOCIFWHJZHGDR-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCC(CC)(CC)C(=O)CC(C)(C)C(C)C	1978456262	UOTSHWALEJCYOR-UHFFFAOYSA-N	226.404	4.844	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C(CC)(CC)CC	1978562511	GTLDKCUULSNPPW-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)CC(=O)CC1(C(C)(C)C)CCC1	1989452062	SMNPMKXDYFMERZ-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(=CCl)CN(C)C1CCCCCCCC1	1990807959	MYSXLZLJKMHZFG-UHFFFAOYSA-N	243.822	4.564	0	10	BJAE	
CCC(CC)CCN(C)[C@H](C)CCC(C)C	1990900238	LQONBODTMUSRSD-CQSZACIVSA-N	227.436	4.569	0	10	BJAE	
CCC(C)(C)CCN(C)c1cccc(Cl)c1	1994357847	WKTOUBIQSZPOFF-UHFFFAOYSA-N	239.790	4.603	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@H](C)CC(C)C)CC1	1997108175	GYNZQDMJFWFZSG-LVQVYYBASA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1CC=CCC1	1997545381	BYJHCQPVTBUWQU-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@@H]1CCC=CCCC1	1999999287	QWFOIWYRJQOBMN-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
C[C@H](c1cccc(N)c1)[C@@H]1CCCC(C)(C)C1	2000163253	QWKIESBKVSAUAZ-TZMCWYRMSA-N	231.383	4.589	0	10	BJAE	
CCCC[C@](C)(CNC)[C@@H]1CCCC(C)(C)C1	2000519112	VKCNVDIQHWCAED-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H]1CC12CCCC2	2001272227	RWPXZTUEUDZDQG-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
Clc1cccc2c1ccn2[C@@H]1CC[C@H]2C[C@@H]2C1	2001463693	KPPUKBMFOADMMU-QJPTWQEYSA-N	245.753	4.656	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@H]1CCC12CCC2	2001859928	OBSVHDYFQSTMEU-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H]1[C@H]2CCCCC[C@H]21	2002202022	IHFHLTXTNVYAJZ-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC2CCCCCCCC2)C1	2003074413	JUAKAFDTXKDPRU-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
C=CC=CCCC[C@H](NC)c1ccccc1Cl	2003683197	LVMVFHKIMMOLNS-HNNXBMFYSA-N	249.785	4.513	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)c1cc2ccccc2s1	2006723425	UTAAAKFIDJYWSR-PWSUYJOCSA-N	244.359	4.520	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](CCCCCC(C)C)CC1	2006903359	YZABVDFVLLPXHP-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
Cc1ccc(NC2CC[Si](C)(C)CC2)c(C)c1	2006999521	YRYSBZKPGRYNSP-UHFFFAOYSA-N	247.458	4.586	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1ccccc1C(C)C	2009587468	FMMHDVWMZVQBKN-DWTRPJMMSA-N	232.367	4.590	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1ccc2sccc2c1	2009612768	ZPGPXZMQNWGYRI-BAABZTOOSA-N	245.391	4.648	0	10	BJAE	
CCCCC[C@@](C)(O)OCC(CC)(CC)CC	2011166329	LMQVXYFSOVWMGZ-AWEZNQCLSA-N	244.419	4.508	0	10	BJAE	
CC(C)C(CCCCCNC(C)(C)C)C(C)C	2015345536	SYHDZBJQXPEOCS-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@H](C)C[C@H]1C[C@H](C(C)(C)C)CCC1=O	2015386118	KGDNQFSOFMNPNP-HZSPNIEDSA-N	238.415	4.700	0	10	BJAE	
CSc1ccccc1NC[C@H]1CC[C@H](C)CC1	2017723675	KUHIYJDFEVNBOP-JOCQHMNTSA-N	249.423	4.647	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CC[C@H](C)C2)CC1	2017727899	FOGJRXOCIFASKX-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@@](C)(N)C(C)(C)C)CC1	2017729571	YAMHNCAKENXDMY-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCC[C@H]2CC)CC1	2017729724	ZQNSFINRBUSWFP-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(CCC[C@@H](N)C(C)(C)C)CC1	2017738368	UMYOJISOCGXYGP-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)CC[C@H]1[C@H](C)NCC[C@H]1C	2017859194	MVZDDQNREWVUHZ-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](N)(CC)CC[C@]12CCC[C@@H]1C2	2018129068	ANGYLWGFHFOOHV-OWCLPIDISA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@@](CC)(CNCC)C(C)C)CC1	2018977582	XHYHQGIZCLIJRY-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CCC1CC1)CC1(CCC)CC1	2018991981	ZBXLIVZNLHTULV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC1(CCC)CC1	2018993693	HBIGDFOZOLVIKB-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H](CC(C)C)C(C)C)CC1	2018994721	MCMKUUGBPMEYEM-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CCCN(C1CCCC1)[C@H]1CCC[C@@H](CC)C1	2019204035	SXEFYTRGPVLSPT-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CC(C)(C)C(=O)C[C@@H]1C[C@@H]1C1CCCCCC1	2022552759	ACGAFSKHIXTWRW-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NCC)C1CC=CC1	2026059491	JBINMPWUZDCAGP-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC1(CCC[C@@H](O)c2ccccc2)CCCCC1	2027305403	ZKKRULSOYROJEO-MRXNPFEDSA-N	246.394	4.861	0	10	BJAE	
CC1(C[C@H](N)C2CCC3(CC2)CC3)CCCCC1	2027313579	GZJIRBQXYZXCRG-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@H](C)C1CCC1	2027519833	HOZMDUSPUYGILQ-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
C[C@H]1CC=CC[C@]1(CN)C[C@@H](C)C1CCCCC1	2027924316	UCCDJPYQJGHDCI-HLLBOEOZSA-N	249.442	4.524	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1ccccc1C1CC1	2028557765	QFSISJVCEPBJRA-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CCCCC[C@@H](NCC)c1ccc(C2CC2)cc1	2028591732	WASBDIZUMFHDDY-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)C1	2028786787	MXUDYFUJJCPCDU-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CCOc1ccc(NCCC(C)(C)CC)c(C)c1	2031586313	HEFCUXGAZQKOQY-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@H]1CC1(C)C	2032431992	YUJRSWALRKCQDX-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CNC2(C3CCCCC3)CCC2)CC1	2033058985	OTSSXCYNITYQRY-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)c1ccccc1C1CCC1	2033558569	PILPLCHFWPRWNR-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H]1CCCC12CCCC2	2035402236	CAIKMVICLQGKGL-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cccc(C2CC2)c1	2035427493	WYTPFDKXIHSMAX-WMLDXEAASA-N	243.394	4.945	0	10	BJAE	
CCc1occ(C)c1C(=O)C[C@@H]1CCC[C@@H](C)C1	2035538115	LZUHDKRFQHWZED-DGCLKSJQSA-N	248.366	4.550	0	10	BJAE	
C[C@@H](C[C@@]1(N)CC(C)(C)CC2(CC2)C1)C1CCC1	2037163080	UCANLRZLYIGZFD-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@H]1C=CCCCC1	2037271335	ARYRMMYEFYOTQN-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
C[C@H](CC1(N)CC2(CCC(C)(C)CC2)C1)C1CC1	2038895426	PQCPNGZANABXBD-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)[C@@H]1CC12CCCCC2	2039081059	GOQRPBHWDGIQDE-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H]1CCC[C@H](C)CC1	2039362417	IGBIDYZSWBSOCH-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)C12CCC(CC1)C2	2039861494	GAYHLSKLSIEOIY-OWUKFGMTSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H](C)C12CCC(CC1)C2	2039864883	KNWLWLFYVIAKTH-OWUKFGMTSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H](C[C@H]2CC[C@@H](C)C2)Nc2ccccc21	2040165915	LKLHNDUKJNXOJT-QPSCCSFWSA-N	243.394	4.801	0	10	BJAE	
CCCCCCC(=O)c1ccc(CC2CC2)cc1	2040730831	OGHSIBGJWNHTQV-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCCN[C@H]([C@H]1CC=CCC1)[C@@H]1CCC(C)(C)C1	2042025577	WKBBTHXYYJDNOY-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](NC1[C@H]2CCC[C@H]1CC2)C1CCCCC1	2042050226	PGFVZEGQNBVKPK-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CC(=C[C@H]1CCC=CCCC1)c1cccc(N)c1	2045318484	VVPWMNKBIKUPBJ-HNNXBMFYSA-N	241.378	4.809	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CC2CCC=CCC2)C1	2045561298	WUOQQAXNUUUXFL-CJNGLKHVSA-N	246.394	4.684	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cccc2[nH]ccc12	2045606516	FSZQMTIZSXACKP-UHFFFAOYSA-N	243.350	4.567	0	10	BJAE	
CCCc1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)cc1	2046485801	HIRZTPBWSYDWBZ-QLPKVWCKSA-N	243.394	4.630	0	10	BJAE	
Cc1oc2ccccc2c1C(=O)CC1(C)CCC1	2046906831	WGGQNQNQIKSNOW-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CC12CCCC2)[C@@H]1CC1(C)C	2047060622	YYIBLVMWMUSKKZ-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2048468335	FDLUPBSELOCZSY-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@H](C)[C@@H]1CCCC(C)(C)C1)c1ccoc1	2049542812	HCQRHCYPTAECKO-MGPQQGTHSA-N	249.398	4.535	0	10	BJAE	
CN[C@H](CCC1CCC(C)(C)CC1)c1ccco1	2050521866	XSWFJZPQQKXABA-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCCC(C)(C)C1)c1ccco1	2050522129	GLKKKGAQKXNDTI-KBPBESRZSA-N	249.398	4.537	0	10	BJAE	
CC(C)=C(C)CCN1CCC[C@H](C2CCCC2)C1	2051671238	JYCXSPATZQJYGG-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
Cc1ccccc1[C@@H](O)C1(C)CCCCCCC1	2052480645	OTMYYCHEHMQKAA-MRXNPFEDSA-N	246.394	4.779	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)[C@@H]1CCCCC12CCC2	2053412467	OZEVUUSHMDAERY-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC1CC(C2CC2)C1	2056665535	DUZWJCYLJXIUSN-OGVSOVDVSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)c1ccccc1	2056873269	LRVHYQPLFHBRQK-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@]1(C)C=CCCC1	2056875244	FCXIRTREADVEAF-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)C2CC(C3CCC3)C2)CC1	2057496510	YERBBHQTLKFTJX-IQAUEXFUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)C1CC(CC)C1	2060924398	DVCPWCYZFIKZRR-VFNXUKNFSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C([C@@H](N)C2CCC(C)(C)CC2)CC1	2061089429	SVUDPMLAFLFCAA-OAHLLOKOSA-N	249.442	4.667	0	10	BJAE	
CCCC1CC(N)(C2=CC[C@@H](C(C)(C)C)CC2)C1	2061122504	PKUHKZZDEZEZGW-XOYHFGRZSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCC[C@@]12CCC[C@@H]1C2)CC1CCCC1	2061618654	WEAWZKZFOQPAFN-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2CC(=C3CC3)C2)C1	2061699121	INYYGIKWEJYPRD-DOMZBBRYSA-N	246.394	4.662	0	10	BJAE	
CN(CC1CC(=C2CC2)C1)C1CCCCCCC1	2061706894	KPOGJWKXBCTEJX-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CC1CC(=C2CCC2)C1	2061740254	WUCNPZFTLKVMEU-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CC1(NC[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCCCC1	2063472632	VKWXXIRHAGMJGV-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CCC1(C(=O)C2CC3(C2)CC(C)(C)C3)CCCC1	2063810808	BIVQKCQDCHVGQB-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC1(N)CC2(C1)CC2(C)C)C1CCCCC1	2064009859	FBANQQHYEVZPFU-IGEOTXOUSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H](C)CC1=CCCCC1)C1(C)CCCC1	2067530928	VIBSVCHRGXYYGW-CABCVRRESA-N	249.442	4.824	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1C[C@H]2CCC[C@@H]2C1	2070400940	ZRXOESWANLWNNC-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@H](C)C2CC=CC2)C1	2070819883	JJFGHWWMHJSWSR-HLLBOEOZSA-N	249.442	4.536	0	10	BJAE	
CC(C)C1(CC(=O)C[C@@H]2CCC23CCC3)CCC1	2071919905	PMZJEEWRIKXRNA-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](c1ccoc1)C1(C(C)(C)C)CCC1	2071927701	CSTHDPACGKEITG-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
CC(C)(C)C1(C(=O)[C@H]2[C@H]3CCCCC[C@H]32)CCC1	2071928550	NNWQSFKBCDULII-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CC3CCC2CC3)CCC1	2071940357	JROSVRRHUKHPHX-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1(C(C)(C)C)CCC1)[C@H]1CC=CCC1	2071945000	CCXGRSCHRSXIAH-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC[C@@H]2C=CCCC2)CC1	2072700164	HOFHQIGFEPVECI-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC(C=C2CNCC[C@H]2CC)CC1	2072821299	ZKILQSHOSWEBRR-UYSNPLJNSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@@]23CCC[C@H]2C3)CC1	2072872605	DRSVDJGJQYNAIQ-JKQORVJESA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@@]23CCCC[C@@H]2C3)C1	2074033080	IXQONTORYLQIQX-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](N)c2cc(C)c(C)cc2C)CC1	2074569826	WPZPYHPNJXWCDT-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)[C@H]1CC=CCC1	2074644988	WVSFSPLRTBEQNE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)C[C@@]12CCC[C@@H]1C2	2074653638	QFUGMAMDCOWOLS-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(CN(C)[C@@H](C)CCC(C)C)c1	2074924104	YKJYNVVHVZOCJP-INIZCTEOSA-N	247.426	4.560	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC=CCCC1)[C@H]1C[C@@H]1CC	2079219177	AOBYTGUUDPAYAY-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1Nc1ccc2ccccc2c1	2079521323	BTIWCNPUWJABEE-HOTGVXAUSA-N	239.362	4.686	0	10	BJAE	
CC(=C[C@@H]1C[C@H]1C1CCCCCC1)CCCCN	2079699506	DFSHJARUGJZMBH-SJORKVTESA-N	249.442	4.668	0	10	BJAE	
Cc1ccc(OC[C@@H]2C[C@@H]2C2CCCC2)cc1C	2079803201	MEBRZIWJJPEEKC-DOTOQJQBSA-N	244.378	4.509	0	10	BJAE	
CCC1CC(C(=O)C[C@@H]2C[C@@H]2C2CCCCC2)C1	2079841216	HMTOQORJDYDJFJ-OMFOHFGMSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)CCC[C@@H]3CCCC[C@@H]32)C1	2081119615	WQRNXVDXZPPIIJ-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@@]1(CC=C2CCC2)CCCC[C@@H]1C	2081677839	QVWVKFUXPVBIAC-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@H](CC2CC(C)(C)CC(C)(C)C2)[C@H]1N	2082989206	ZDLZUPBSGPBEDL-GJZGRUSLSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H]1C[C@H](C2(C)CC2)C12CCCCCC2	2083322412	HPJRQJZTDXSYMM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H]1CCCNC12CCCCC2	2083818382	VPFKCHNVWYEACQ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(CCCNCCCCCCC2CC2)CC1	2213575433	FYSZBXDSKHLARM-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)CC1CCC1	2214585788	UGWVFVBWZKWNET-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccn(CC2CC(C)(C)CC(C)(C)C2)c1	2214616138	WGJFMPJHLVNVGF-UHFFFAOYSA-N	233.399	4.649	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC(C)(C)C1)C(C)C	2215393452	BZVTVSZZULSFOK-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(C[C@H]2CCCCCC[C@H]2O)C1	2215397386	CGLHYFHXCSTZED-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(CNC1CCC1)C(C)C	2217125268	NXNAWCHQRJJFGQ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NCC(CC)(CC)C1CC(C)(C)C1	2217126178	SWKKNDKAILMVME-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@]1(CN[C@@H](C)CC)CCC1(C)C	2217157523	TWFZJNCNPUGNBG-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218330519	GVBQXLRDMOKSJE-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218337803	ZIWVBXFGRUWFSP-LOUJCGABSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC=C(C)C)C1C[C@H]2CCC[C@H](C1)C2	2218345360	DTXOBUKSQJGRKL-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCCCCC1CC1)[C@H]1CC12CC2	2218724074	FKARXNUVPVTUNT-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CCC2(CC2)C1	2218725041	KRRPTUYZPKUIOQ-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CNCCC1=CCCCCCC1CC1	2218726071	PEKSIYXOAKYHAA-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
O=C(CCCCCCC1CC1)C[C@@H]1CC[C@@H]2C[C@@H]12	2218733097	UBGFHGUCJGIUBH-UXLLHSPISA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)c1ccc(C)o1	2218733372	WVTJXIGAEBVNAB-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)C/C=C/c1ccccc1	2219065007	LPHRBKUJTFJEOG-MDKANAEZSA-N	246.394	4.523	0	10	BJAE	
CC[C@H](C)NCC1(C2CC(C)C2)CCC=CCC1	2223602523	SHRCQSHOBAFKFG-PCKAHOCUSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](C)[C@@H](O)C[C@H](C)CC(C)C)cc1	2223969128	UPLURTSQMAQZNL-VYDXJSESSA-N	248.410	4.532	0	10	BJAE	
CC1CC(C)(C[C@H]2CCC(C)(C)CCC2=O)C1	2246530929	QVBLXMSBWPWDEU-MFOWVQHXSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@](C)(O)CC[C@@H]1CCCCC12CC2	2246635386	XARGVALMPREEKW-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@H](CC[C@H]1CCC[C@H](C)C1)NC	2246723581	AJSMVENXAUFJSH-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@](C)(N)CCC(C)(C)C	2247172562	AYHDGPYRQYBTLC-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@H]1CCC12CCC2	2247388855	XUMPOPSQTYCDHG-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@H]1CC1(C)C	2250467218	OPLVVHFWQSOJRP-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(O)CC2(CC2)C1	2250493706	PXIILLAERRBFFL-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC1CC(C)(C[C@@]2(CN)CCCCC23CCC3)C1	2253673734	DGXUWXCSVSYNLW-VMBOVVBDSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CC[C@@](C)(NCC[C@H]2CCCCC23CC3)C1	2253891495	QAYSCQDIEYCUKQ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCn1ccc2c(F)cccc21	2254534047	ASUCSJGAIPIZDS-OLZOCXBDSA-N	245.341	4.607	0	10	BJAE	
CN[C@H]1CCC(C)(C)CC[C@@H]1CC1=CCCCC1	2255093232	XZNQHEPCBHAIAE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)cc(OCCCCC[C@H]2C[C@@H]2C)c1	2257250019	WMPSDWOMHNOADN-HOTGVXAUSA-N	246.394	4.899	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC1(N)[C@H]2CCC[C@H]1CC2	2257316275	QGYKFIYUXVJCAP-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2[C@@H](C)CCC[C@H]2C)cc(C)c1C	2258240997	CQISHQHKXNYNGU-PBKGOJFUSA-N	245.410	4.848	0	10	BJAE	
CCC1(C[C@H](NC)[C@]23CCCC[C@H]2CC3)CCC1	2260486017	IKBTWEBHQSUHQU-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@]12CCCC[C@@H]1CC2)C1(C)CCCC1	2260602965	LPPAUSIWYTXJST-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@H]2CCNc3ccc(F)cc32)CCCC1	2261337008	FNYFHCPUMVIIEV-GFCCVEGCSA-N	247.357	4.695	0	10	BJAE	
C[C@@H](N[C@H]1CC(C)(C)CCC1(C)C)C1CC=CC1	2261397112	FEWISWGDWZPDSF-HIFRSBDPSA-N	249.442	4.536	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H](C)C(C)(F)F	2300463104	JIPBAVFFIGQMEY-NSHDSACASA-N	241.325	4.574	0	10	BJAE	
CCC[C@@](C)(CCC(CC)CC)CNC1CC1	2300676917	UDNXZCVKYSTMPE-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H]1CCC[C@H](C)CC1	2300900263	WHVJDHOBKUUNMF-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(O)(CCCC1=CCCCC1)C(C)C	2302326813	SYNMVNGIBMECSJ-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CC[C@H](CCCC2=CCCCC2)CC1=O	2302344969	MGCDWKRQJJCZMD-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@H](C)[C@H](C)CC	2302575656	YTKGOLNMFOODHG-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CC[C@H]1C(C)(C)C	2303444282	IFVIUJLBNZLGBO-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@@](CNC(C)(C)C)(C(C)C)CC1	2303480791	ORSUPCFCIBINMF-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)c2cc(C)cs2)CC1	2303533742	ZUUNEJXYLTYTMA-ZIAGYGMSSA-N	249.423	4.583	0	10	BJAE	
CN[C@@H](CCCC[C@@H]1CCC(C)(C)C1)C(C)C	2304418665	RQOMWWCDBIPEPJ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
c1sc(C2CCCCC2)nc1[C@@]12CCC[C@@H]1C2	2307695341	PSBVGGFIHQVSJN-IUODEOHRSA-N	247.407	4.632	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@H]1CCCC(C)(C)C1	2307762468	BNTNNAOWSDLTOW-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H]1CCC[C@H](CC)C1	2307907665	MXXDTAKGXWODFB-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)CC1CC2(CCC2)C1	2307911417	VLRCQBZKICXWJY-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@](N)(CC[C@@]12CCC[C@@H]1C2)C1CC1	2310382372	PILSSXKDUVDTLZ-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)CC[C@@]12CCC[C@@H]1C2	2310382936	TUMVCJQWDLHXCQ-ABFRBSLYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@]23C[C@H]2[C@H](C)C3)CC1	2311021547	UGGYONKJSZQIGR-WVCIDPQESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@]23CCC[C@@H]2CC3)CC1	2313319772	CVXQFMUTURONEO-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@@]12CCCC[C@@H]1CC2	2313345244	AAPZFOKSVHVHCD-UXLLHSPISA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1C[C@H]2CCC[C@H]21	2316503165	OOGVOWXLERBBQM-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(=CCn1c(C)nc(C)c1C)CCCC(C)C	2316525035	WMXFPJASEUZQDR-UHFFFAOYSA-N	248.414	4.581	0	10	BJAE	
CCN[C@H](C)c1cccc(C2CCC(C)CC2)c1	2317107819	SHTVHOQZCFVZSD-SHARSMKWSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@@H](CCCC2=CCCCC2)C1	2318539652	NEDNCMILTRCQOE-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC(C[C@@H](N)CCCC2=CCCCC2)C1	2318576507	PSBINHMJWCSXLR-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CN(CCCC2=CCCCC2)CC(C)(C)C1	2318577137	VKCFDIZSKKAWPB-HNNXBMFYSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)C[C@H]2CCC=CCCC2)C1	2319307643	CCALPKKQPFNMDJ-XHSDSOJGSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC[C@H]1CC[C@@H]1C1CC1	2319740643	LVLWZWIWCYAKLM-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@H]2CCC[C@@H](C)C2)CC1	2320335676	WTLJXFNTJFCTTN-VZEFYGNVSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@H]2CC[C@@H](C)C2)c1	2320514626	BHEYXZYDDXKUIM-KEYYUXOJSA-N	246.394	4.670	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@H]2CC23CCC3)c1	2320575226	VYOMBMHSPVRDPM-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CCc1cc(F)cc(NC2[C@@H](C)CCC[C@@H]2C)c1	2321093028	HAEVNCFXPBSPMH-RYUDHWBXSA-N	249.373	4.625	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H]2CCCC[C@]2(C)O)c1	2327681111	IYCWMQYSYSDRNW-SJORKVTESA-N	246.394	4.527	0	10	BJAE	
Cc1ccc(O)c(-c2cc(C)ccc2C(C)C)c1	2327681257	OYBIYNVAMXEYBH-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)C2(C)CCC2)c1F	2327801002	DQUUOQDZCOAEMY-LBPRGKRZSA-N	249.373	4.940	0	10	BJAE	
CCC[C@H](CC)CC1(CN)CC2(C1)CC21CCC1	2328199222	FXUIKDKEXGTWDU-UQPPLGOBSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)c1ccc(C)cc1C	2328207776	WQUJHMOVLSKAED-NVXWUHKLSA-N	248.410	4.727	0	10	BJAE	
CC(C)C[C@@H](C)Nc1cc(Cl)cc(Cl)c1	20546355	SSBSMQOMQBANQJ-SECBINFHSA-N	246.181	4.840	0	10	BJAE	
CCCC1CCC(Nc2cccc(F)c2)CC1	20566136	ZKUCRMLUFJLJHT-UHFFFAOYSA-N	235.346	4.597	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2C[C@@H](C)CC(C)(C)C2)c1	21816868	IXIKOEKEXXVTGE-HIFRSBDPSA-N	245.410	4.930	0	10	BJAE	
CC(C)C[C@@H](C)N[C@H](c1ccccc1)C(C)(C)C	36994699	NYZDGDHIMCUIFK-GDBMZVCRSA-N	247.426	4.798	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(C)c(O)c1C	37130468	YBAXLEGHTGTUCT-ZDUSSCGKSA-N	249.398	4.780	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@]1(O)C1CCCCC1	37375844	WCECNQGRKDDDOY-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Oc1ccc(C)cc1C	85154976	LYDSSQKDJJDOAX-ZBFHGGJFSA-N	232.367	4.651	0	10	BJAE	
Cc1cc(C)cc(-c2c(C)cccc2Cl)c1	85389135	ZAUWAZMYFROWCU-UHFFFAOYSA-N	230.738	4.932	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC(C)(C)CC2)cc1	86894056	UFIKZNYXNWVQDH-CQSZACIVSA-N	231.383	4.766	0	10	BJAE	
CCC[C@](O)(CCC(C)(C)C)c1ccccc1	87165708	UUQFVWIZKFHVGJ-INIZCTEOSA-N	234.383	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2ccc(F)cc2C)C1	87984160	DJRSHQYSMXOJGI-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
Clc1cc2c(s1)CC[C@H]2Nc1ccccc1	88116815	VTXHSGCWFJFAAV-LLVKDONJSA-N	249.766	4.501	0	10	BJAE	
CCCC[C@@H](C)Nc1nc2ccc(C)cc2s1	91938300	VMCFQGZDMHUIEI-LLVKDONJSA-N	248.395	4.595	0	10	BJAE	
Cc1ccc([C@@H](CNC(C)(C)C)CC(C)C)cc1	93138387	GJNXUHUSAOKIAB-MRXNPFEDSA-N	247.426	4.513	0	10	BJAE	
CCN[C@@H](CC)c1ccc(Cl)c2ccccc12	93656219	QFZZKMXNQULJCK-HNNXBMFYSA-N	247.769	4.554	0	10	BJAE	
CC(C)CC1(CNCCC(C)(C)C)CCCC1	94874408	WGPMNDBBCXTBLI-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCSc1ccccc1N[C@@H]1CCC[C@H](C)C1	103969749	JBTWLFOHLVGRAC-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
C1=Cc2ccccc2/C1=C/C1CCCCC1	104836001	CZKSBMAAYAVIFI-NTCAYCPXSA-N	210.320	4.677	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)c1ccc(C)cc1C	109944659	RVVOWZGXRVGLFB-HUUCEWRRSA-N	233.399	4.533	0	10	BJAE	
CC(C)(C)c1ccccc1-c1ccccc1	113500590	IRUFLAAZAAOXHM-UHFFFAOYSA-N	210.320	4.651	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCCC(C)(C)C)CC1	123935535	XDYWXHWQSDZZIA-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(CC)[C@](C)(O)c1cc2ccccc2s1	127043900	HOAFVUZJBALWSX-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCCN[C@@H](CCC)c1ccc(CC)c(CC)c1	128020256	ZUSXEOHIKGPMKA-KRWDZBQOSA-N	247.426	4.652	0	10	BJAE	
CCC(CC)C[C@@](C)(CC)CNC(C)(C)C	128414986	FEXMNRXAMFIWBH-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CCC1CCCCCC1)NCC	128632460	APRLVEAZQAHVER-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCc1cccc([C@@H](N)CC2CCCCC2)c1	131528613	MLBYWTZBQHOIKQ-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)c2ccc(CCC)cc21	136927853	TWAQEWONPYNYMG-SUMWQHHRSA-N	245.410	4.577	0	10	BJAE	
CCCCCC[C@H](O)CCCCCC(C)C	144200799	KLGLCFLDPMOWKI-HNNXBMFYSA-N	228.420	4.924	0	10	BJAE	
CCC(CC)C[C@@]1(N)CC[C@@H](C)c2ccccc21	148009972	OCAFNAXHQXQWIT-DYVFJYSZSA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)c1ccc(C)s1	161375958	NJBBEOQZFHENOK-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCCC)C1CCCC1	167440551	MNTCKLQGFLYVRU-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](O)(CC1CCCCC1)c1ccccc1	203674796	CXSQQWGHRVWGBJ-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CCCNC/C(=C\C1CCCC1)C1CCCCC1	211498854	MRKHTSCPBLQOSJ-GHRIWEEISA-N	249.442	4.683	0	10	BJAE	
CN[C@H](CC[C@H]1CCC[C@@H](C)C1)c1ccccc1	227184047	ASKRKQCLGCLWTE-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2CC[C@@H](C)C2)cc1	227190533	FSLFBYVWGAFACH-IOASZLSFSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@@H](NCCC)C1=CCCCCCC1	233003981	MBFWENBMTJWHRB-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CCCN[C@H](CCC)c1scc(C)c1Cl	233165919	ZLNVVDCLCKSOHB-SNVBAGLBSA-N	245.819	4.551	0	10	BJAE	
CCC[C@@H](C)c1c[nH]c2c(Cl)cccc12	233285320	PMNRALUPXCOKPM-SECBINFHSA-N	221.731	4.725	0	10	BJAE	
CSc1ccc(N[C@H]2CC(C)(C)C[C@H]2C)cc1	235055730	RRXKURJQIAIUSQ-RISCZKNCSA-N	249.423	4.645	0	10	BJAE	
Cc1cccc2c([C@H](C)C(C)(C)C)c[nH]c12	235231348	NLOBDXOFONYNMG-NSHDSACASA-N	215.340	4.626	0	10	BJAE	
Cc1cccc(N=Cc2ccc(Cl)cc2)c1C	254626480	KQSLSGFJLVDXGM-UHFFFAOYSA-N	243.737	4.707	0	10	BJAE	
Cc1cccc2c(C3CCCCC3)c(N)ccc12	258363769	WPBGLIZIYCTHMP-UHFFFAOYSA-N	239.362	4.778	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H](C)c1ccccc1	300472896	TWQIKPHVRATRDY-HLLBOEOZSA-N	247.426	4.724	0	10	BJAE	
Cc1cccc(CC[C@H](O)CCCC(C)(C)C)c1	302362871	XXGYGPYEEDBAMS-MRXNPFEDSA-N	248.410	4.505	0	10	BJAE	
CC(C)C(CN[C@@H](C)CCC(C)(C)C)C(C)C	302538727	SRRXFWQGFFUVEO-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CC(CC)CC)C(C(C)C)C(C)C	302582941	RYCAFSQKNOYXIQ-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](O)(CCC2CCCCC2)C1	305895638	GVMSVCVQKZCORH-MIFYACCESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@](N)(CCC2CCCCC2)C[C@H]1C	305897441	PWWSMSHVXDCWSM-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](CCC2CCCC2)C1	306016543	XQSFLXFLYRBCSA-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
Fc1c(Cl)cc(C(F)F)c2ccsc12	307049772	KUIGZYSIGMFIBO-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C1C[C@H](C)C[C@@H](C)C1	308051512	DQYCTUJOWZCNGG-MGPQQGTHSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H](CCC)CC(C)C	308054664	OXARFBLTDRSYCX-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)C[C@H](C)c1ccccc1	308091539	HVWLHMICTYCYDJ-UXLLHSPISA-N	247.426	4.580	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](CCC(C)C)C1CC1	310220933	LFUBRSPZCIEVJD-CJNGLKHVSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](Nc1ccccc1)c1cccc(C)c1	310242269	TVXAOCWJRYNKNY-INIZCTEOSA-N	225.335	4.558	0	10	BJAE	
CNC[C@]1([C@H]2C=CCCCCC2)CCCC[C@@H]1C	316836696	CXRFOMDLZMISNE-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Oc1cc(C)c(N)cc1C(C)C	318835045	CNKKITYJWAPNFW-DGCLKSJQSA-N	249.398	4.514	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)CCC)CC[C@@H](C)C1	319288298	NEMXAKJDRRRRQS-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@@H]1CCCC12CCCC2	328186516	OTHGDGBJOXGPJY-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1cc(C)cs1	379140041	SAVASEXRRXMBAO-CHWSQXEVSA-N	240.412	4.696	0	10	BJAE	
CCNCCC(C)(C)C[C@@H](C)C1CCCCC1	379866355	SYRZDZONSOQVET-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCc1cccc(Sc2ccc(C)cc2)c1	380519625	WYGKGXVGCSNZKB-UHFFFAOYSA-N	228.360	4.709	0	10	BJAE	
CC[C@H](N[C@H](C)CCC(C)C)c1cccc(C)c1	385159658	UJGMPMOZENHUMK-WBVHZDCISA-N	247.426	4.860	0	10	BJAE	
CC[C@](O)(CC1(C)CCCC1)c1cccc(C)c1	386029634	YBVSFFVJYWQJHO-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
C[C@@H](CNc1cccc(C(F)F)c1)C(C)(C)C	386168631	MKRCSKJLHORMCS-JTQLQIEISA-N	241.325	4.718	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C1(C)CCCCC1	386293905	HJOLPPAXSYWEAM-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CN[C@@H](c1cc(C)ccc1C)C(C)(C)C(C)(C)C	386471684	HHNPFKSPPJLAIV-HNNXBMFYSA-N	247.426	4.636	0	10	BJAE	
CC(C)NCCCCC1(C)CCCCCC1	394687808	JNIXGBPOKATVBT-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCc1c(C(F)F)cc(C)c2sccc12	396198429	JPFRGIBHPNJZIL-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
O=C(CC1=CCCC1)c1cc2sccc2s1	401107966	GNPINGOWYLYZKW-UHFFFAOYSA-N	248.372	4.646	0	10	BJAE	
C[C@@H]1CCC[C@](CCCC2CC2)(CNC2CC2)C1	405946349	CHYYLWNRWMJYAE-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCSCCCNc1cccc(C2CCC2)c1	690111982	CBZBTNHNXKQZQB-UHFFFAOYSA-N	249.423	4.509	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC3CCC2CC3)C1	691697522	JSOXAMPXPRZFPB-WNZFAQLISA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC(=O)[C@@]12CCCC[C@@H]1C2)C1CCCCC1	693200345	OWYJZMCOSBAMQL-FRFSOERESA-N	248.410	4.742	0	10	BJAE	
CC1CCC(C[C@H](N)C2CCC3(CC2)CC3)CC1	695626133	NPDAFZXRCYUAJO-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)c1ccsc1	696186285	LUHIIZXJNAQAQA-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1[C@@H]2CCCC[C@@H]12	697775747	VWTOQVGOGDJULR-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H](C)C1CCC1	703041762	YQVHCFDRCLJPOB-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)c1sccc1Cl	704610055	HRZONPMLKRJMEE-PSASIEDQSA-N	246.803	4.507	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)[C@H](C)CC(C)(C)C	704626026	RKNOBVIIGIWYET-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](N)(C1CCCCCC1)C(C)(C)C	704889553	NXLCMWHACLTFHP-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@](N)([C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)(C)C	704917540	ZMYZETUCMNJWGP-ORIJERBGSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)COc1cccc2sccc12	705066865	OIUNYHLZTBFUJU-NSHDSACASA-N	234.364	4.716	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@]1(C)CC1(C)C	705301390	PETTWVRULKAVJU-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1NCC[C@@H]1CC=CCC1	706867037	GRPJHCPYUPYYNC-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
C[C@H](NCC1CCCCCC1)[C@]12CCCC[C@H]1C2	709245903	MMGNQGMGBDMGLS-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@](N)(C[C@@H](C)C(C)(C)C)C1CC1	710719285	IEDGHZGAPWTTME-CJNGLKHVSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C[C@H](O)[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	711180381	NRHVHONIBYTWRZ-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)C[C@@H]3CCCC[C@@H]32)CC1	712388148	NJLIMDRGZBWEMY-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C[C@]1(CNC(C)(C)C)CC=CCC1	713165302	FRMHMIKOALBHTQ-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)[C@H](C)C1CCCCC1	718685002	BJLRCTHVWPBOGD-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)[C@H](CC1CCC(C)CC1)NC	721654300	HSQUZBDKYZGDSO-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)CCCC2(CC2)C1	723573072	YLCYXXLPTWGRQR-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1NCCC1CC=CC1	724179377	KVTUQQZCMFOIEE-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
Clc1ccc(SCC2CCC2)cc1Cl	1188852630	CKLMUVRNLHFKCL-UHFFFAOYSA-N	247.190	4.886	0	10	BJAE	
Cc1cc(F)ccc1CSC1CCCCC1	1559334990	GMZCYGSVBDNEHE-UHFFFAOYSA-N	238.371	4.700	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)CC1CCCC1	1659830909	JPDDHTNZCCBZBA-CABCVRRESA-N	237.431	4.680	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H]1CCCC(C)(C)CC1	1663164631	BFZDTGABLYBSOB-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC)CC=C(C)CCCC(C)C	1900910462	LQLKANKYLJUBKI-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC(C)CCCc1ccc(C(C)(F)F)cc1	1901882360	FQQCQOYZZGAZTM-UHFFFAOYSA-N	226.310	4.777	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)C(C)(CC)CC	1905358051	DKUSWTBXZAPRMA-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)C[C@@H](CC)CCC	1905435724	UCFZWFBAMGNERE-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
C[C@H](C[C@@H]1CCCC(C)(C)[C@H]1O)CC(C)(C)C	1910193133	AJTNHXPHXKDSMY-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1C[C@H]1CCC	1910650436	CPJUBVGREANZAL-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](N)(CC)CCC=Cc1ccccc1	1911917708	JRVXQCROXQCMKR-KRWDZBQOSA-N	245.410	4.778	0	10	BJAE	
CCCNCC(=C[C@]1(C)C[C@@H]1C)C1CCCCC1	1911929707	WROLKBFNBQKQBM-YOEHRIQHSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CCC2(CCCCC2)C1	1915893367	RDSFODWJJFJNRQ-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@@](O)(CC1(C)CCCC1)c1ccccc1	1919936105	WXHOHUYAPGZOOE-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1CCC=CCC1	1919982240	WTNCVJDNALWELB-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCCC1CC(CNCC)(CC(CC)CC)C1	1921207843	YWQBYFWRXGBFIB-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC1CC(CN[C@@H](CC)C[C@H](C)CC)C1	1921225847	VJVBVZAPRKTYMQ-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CC1(CCC[C@H]2[C@@H](CN)CCCC23CCC3)CC1	1924799543	VUKHQSRVCJQFQL-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC1CC(C)C1	1925154427	ZDMITKSCGZZIIE-MOKVOYLWSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CCN[C@@H](CC)C1CCCCC1	1926159166	HBLPSQNAXRBUNX-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CCC1(C)CC1)NCCC	1935874264	AHXRHEANHAWSKE-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC(CC)(CC)NCCCCCC1CC1	1936417603	HGVCNVUVAGBXHK-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CCCCCC1CC1	1936428717	RTYXKNVPMOFFPX-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC[C@](O)(CC1(C)CCCCC1)[C@@H]1CC1(C)C	1940408273	SRQXGIRCYYBAJV-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@H](O)CCC1(C)CC1)C1CCCCC1	1940792237	JKPPNEBBWCKENK-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@H](N)CCCC1(C)CC1)CC(C)(C)C	1940862202	GYBXZHFQMHDUTC-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C(C)C)[C@H](CCCCCC(C)C)NC	1941266027	ZAQSBTJSJSILRH-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NCCCCCC1CC1	1941594926	GQEJPZKMTVVTCK-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)CC1CCC=CCC1	1941817251	XDJMPBSMJSTONR-HIFRSBDPSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](NCC)[C@]12CCCC[C@@H]1CCC2	1944156878	UVXJCYAYVYDYIF-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](Nc1cccc(C2(C)CC2)c1)C(C)(C)C	1944599965	KEOQIDVUFIBYOG-GFCCVEGCSA-N	231.383	4.585	0	10	BJAE	
C[C@@H](CC1(O)CCC2(CCC2)CC1)C(C)(C)C	1944602903	WSKPCYDQHRZFQA-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NCCC1(C)CCCCC1	1945432262	MCZQOQLRTOHFLT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](O)CC2(C)CCCCC2)C1	1945594476	CBXYREBJIVZVJE-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H]2CCC2(C)C)CC1	1945756978	PKWQQCQLZHHYCC-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
C[C@H]([C@@H](O)c1cccc2sccc12)C(C)(C)C	1945956902	GOEMBQIXFGTDNA-QMTHXVAHSA-N	248.391	4.617	0	10	BJAE	
CCCC1([C@@H](N)c2sccc2C2CC2)CCC1	1949078347	SKKQFMGIHURNMN-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC12CCC2)c1cccs1	1949323522	BKDUIIRPRYMNPT-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
CCN[C@H](CC[C@H](C)CC)CC1CCCCC1	1949923447	QQPCYSFBYINBLD-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Clc1ccc(NC[C@H]2CC23CCCCC3)cc1	1950640838	KPKKSEVCWBIGGA-GFCCVEGCSA-N	249.785	4.722	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)[C@H]1CCC[C@@H](C)CC1	1950923820	IRIVXJDBNXIZHJ-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCCC(C)(F)F)CC1	1950930702	QUUHLNRJEWGFDF-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCC[C@@H]2C2CC2)CC1	1966049095	RIQXUKBYYHZBGD-OKEQZYBDSA-N	249.442	4.514	0	10	BJAE	
CSc1cccc(N[C@@H]2CCC3(CCC3)C2)c1	1968262180	HCKWKOCAGWLNPY-CYBMUJFWSA-N	247.407	4.543	0	10	BJAE	
CCC1(CC)CC(Nc2ccc(CCF)cc2)C1	1970101612	AJUWQLBDJYLANX-UHFFFAOYSA-N	249.373	4.579	0	10	BJAE	
C[C@@H](CN[C@]1(C)CCCCC1(C)C)C(C)(C)C	1973519792	ROMMZIKHRRAZJM-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](O)c1cc(C(F)F)cs1	1977078955	PEQYKVCDYGNNHT-JTQLQIEISA-N	248.338	4.545	0	10	BJAE	
CCC(CC)C[C@H]1CCCCCCC[C@H]1O	1980351255	MLPNSMSWWYDONZ-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCc1cc(C(F)(F)F)ccc1Cl	1980983181	QRZLSHOGHAWBRS-UHFFFAOYSA-N	248.675	4.868	0	10	BJAE	
CCCCCC1CC(N)(C[C@H](C)CCC)C1	1984747657	WXEPEHSKVIOVBQ-WLYUNCDWSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(Cl)ccc1CC1CC(=C2CC2)C1	1985532813	NXCBNWDUNFKEEA-UHFFFAOYSA-N	232.754	4.691	0	10	BJAE	
CCC1(CC(=O)C(CC)(CC)CC)CCC1	1985605644	KEYQIOZSTLDWNZ-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)Cc1csc(C2(C)CCCCC2)n1	1995464300	RUBCBPFOCQNABT-UHFFFAOYSA-N	237.412	4.563	0	10	BJAE	
C[C@H]1CCC[C@@H]1c1nc(C2CCCC2)cs1	1995497065	VSMIXQMITXQDRK-JQWIXIFHSA-N	235.396	4.704	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@]1(C)CCCC[C@@H]1C	1995646124	YVURUFRTHUXFTB-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CC1([C@](C)(N)CCCC2CCC2)CCCCC1	1995985698	AAPPOMTUNAEMDY-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CCC[C@](C)(O)C1(C)CCCCC1	1995988165	XNWVLFJNUVHQCH-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCSc1ccccc1N[C@@H]1CC[C@H](C)C1	1996575645	VVHIEDPTWKEOST-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
CC(C)CC[C@H](C)N[C@]1(C)CCCCC1(C)C	1997430454	XUMZLPAAERADAL-GOEBONIOSA-N	239.447	4.760	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@@H]1CCC=CCCC1	2000001554	NMZAEKJBYNWMIY-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCC(F)(F)C(C)(C)CC(=O)CCCC(C)C	2000195941	AJCDUXTWYFRYBM-UHFFFAOYSA-N	248.357	4.843	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CCCC(C)(F)F	2000196890	PBPLFHLNMDTCPO-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H]1CCCC[C@H]1CC	2000389615	FQRICADPZCUSGZ-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@@H]1CC12CCCCC2	2001267014	ZGRBELSRUHOWGP-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc2c(Cl)c3c(nc2c1C)[C@H](C)CC3	2002852706	IEDKJQCEZMYSPT-SECBINFHSA-N	245.753	4.555	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CCC2CCCC2)C1	2002997167	APVQYKFNATYONA-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@@H](C)[C@H](C)CC	2003176596	PQZMEVMBSXMYRR-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC1(O)C2CCCC1CCC2	2003354065	QODBTPRPAJDWGW-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H]1CCC(C)(C)C1	2004228915	QNCXOZGYVVYTCS-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](NCCC1(C)CCCCC1)C1(C)CCC1	2004839361	HMVFJKRWUVVDHC-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCCC12CC2	2005545675	MOKJKDOCPJBDKO-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCN[C@@H]1C[C@H](CC)C[C@@H](CCCC(C)C)C1	2006628724	COONRMGHEZAFRK-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(=O)C[C@@H](CC2CCC(C)(C)CC2)C1	2006660077	CVUBQWSOCDLLNF-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@H]2CCC[C@H]2C)cc1	2006726281	MHELUKSFQCQKQW-ZENOOKHLSA-N	232.367	4.768	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@H](C)CC(C)C	2007935636	WJBRKUONFUEDAV-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
C/C=C/C[C@]1(CNCC)CCCC(C)(C)CC1	2008071176	BXJNAQPHZDQYRK-YERXGYGTSA-N	237.431	4.539	0	10	BJAE	
CCCC(CCC)Nc1ccc2sncc2c1	2008090063	WYEZVUADUWYROC-UHFFFAOYSA-N	248.395	4.677	0	10	BJAE	
CCSc1ccccc1NC1CC(C)(CC)C1	2009298231	GRGPSCDOMMGKHU-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CCC1(CC)CC(O)(CC2CCC(C)CC2)C1	2009300548	YILDHVIOASGOIC-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@@]1(N)CCCC12CCCCC2	2009575555	FNHDZLBYOBBNMZ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@@H]1NCC[C@H]1C1CCCCCCC1	2009772452	OTEHMDGFADHJIA-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H]1C[C@@H](C(C)(C)CC)CC(C)(C)C1	2012041695	NDJFDALQVZJCOF-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
c1cc(NC(C2CCCC2)C2CCCC2)cs1	2013232830	QJKDHFQJLHZVNR-UHFFFAOYSA-N	249.423	4.909	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)C1CC(C)(C)C1	2013269981	DLQLIUUHZGVTJR-UKRRQHHQSA-N	239.447	4.616	0	10	BJAE	
CC=CCCCC(=O)[C@@]1(C)CCCC(F)(F)C1	2014956993	JKVOKFKJXCSJAV-ZDUSSCGKSA-N	244.325	4.518	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)CCC(C(C)C)C(C)C	2015347179	NJKGMPWBGZGNPA-GDBMZVCRSA-N	241.463	4.704	0	10	BJAE	
CCCC1(CC[C@H](NCC)C(C)(C)C)CCC1	2015647814	KZOSNTCVPIMQAZ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCC1(C(C)(C)C)CCC1)CC(C)C	2017140347	GFQNDPPBSZJKGM-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H](NC)C(C)C)CC1	2017730147	DPMAHDLFKSINBB-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CC[C@H](C)CC2)CC1=O	2017775114	XNMFHHXHIYDEMZ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2(CCC)CC2)C1	2018926277	ZAFDDMPMQDFSRL-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)CCC(C)(C)CC	2019381973	KLPPOHOXAITBCQ-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCC1CC(Nc2ccccc2C2CC2)C1	2021025928	GHLVVVNCKLIGGC-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
CC(C)CCC[C@H]1CCCNC12CCCCC2	2024621690	ASFRTSLPXQZRPO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@H]2CCC[C@H]1C2	2026243941	QAQRVCQFWMFROM-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C(=O)CCC[C@@H]2CC2(C)C)ccc1F	2027842771	LHMCRRWCFYOPBW-CYBMUJFWSA-N	248.341	4.533	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1[C@H]2CCCC[C@H]21	2032837335	VCLPVGWMGYIJRM-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C2C[C@H]3CC[C@H](C2)C3)C1	2033099141	BDUIKSBYDXGBCF-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc2cccnc2c1	2034179677	BLLMXAATPRAHGG-CQSZACIVSA-N	242.366	4.616	0	10	BJAE	
CCC1(CN[C@H]2CCCC3(CCCC3)C2)CCC1	2034362298	IULDKSSAXAKWAM-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cccc(C2CC2)c1	2036353457	CCPIWRRYLKTMCI-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
C[C@H]1CC[C@@H](C2CCC2)CN1C1CCCCCC1	2036779400	ILARUHDRGLDGSO-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
CC(C)CC(=O)Cc1ccc(C2CCCC2)cc1	2036959058	WLJRKPXMMGDOGR-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC[C@]1([C@@H]2CCC3(CCCC3)C2)CCCCCN1	2037588904	DZMIJGJHXNFWOX-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@H]1CCC2(CCCC2)C1	2037692486	UHKCTEBTDXLWJR-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC(C)NC[C@H](C1=CCCCC1)[C@@H]1CC[C@@H](C)C1	2037700767	GXACSKSTNYQRJK-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](NC[C@@H]1CCC2(CC2)C1)C1CCCC1	2038584088	SURAHOTUZDTCGN-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC1C[C@H]2CCC[C@@H]2C1)C1CCCCCC1	2038623134	RFTRDFCVPNLEEM-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC2(C1)CC(CN)(CC1CCCCC1)C2	2039419893	ANLNFXMQTDVXBZ-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CC1(C)CCCCC1	2039443329	ZKWKWKFKNGRXTF-HRCADAONSA-N	249.442	4.667	0	10	BJAE	
CC[C@H](C(=O)C[C@@H]1CC[C@H](C)C1)c1ccccc1	2040138242	NAYHXGSTAIAYTL-LZWOXQAQSA-N	244.378	4.576	0	10	BJAE	
CC[C@H](N[C@H]1CC=CCC1)C1CCC(C)(C)CC1	2040684646	UUBJAIVONVLFQK-HOTGVXAUSA-N	249.442	4.680	0	10	BJAE	
C[C@@]1(CNCCC2CCCCCC2)CC=CCC1	2042072757	SHZLRYGPJORXQI-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)CCC2CCC2)c1C	2042743515	XHYUQMSZXFEGSP-MRXNPFEDSA-N	246.394	4.534	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)C[C@H]1CCC=CCCC1	2045320950	QYCIAXIFSGBQCB-RDJZCZTQSA-N	249.442	4.668	0	10	BJAE	
Cc1ccccc1[C@@H](O)C[C@@H]1CCC=CCCC1	2045335677	VFLXFOSGGMSRRH-WBVHZDCISA-N	244.378	4.555	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@]2(N)CCC3(CCCC3)C2)C1	2045384336	HZSZFUVISYBPCT-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc2ccn([C@H]3CCC(F)(F)C3)c12	2045457953	PIGJPAZHSYSNNB-ZDUSSCGKSA-N	249.304	4.564	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CC2	2045606918	YYWREMIIPOLAEP-SOUVJXGZSA-N	248.410	4.764	0	10	BJAE	
CN(C1CC2(CCCCC2)C1)[C@H]1CCC(C)(C)C1	2046331921	NHKKKIHWPQXMEE-AWEZNQCLSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@@H]2CC23CCCC3)C1	2047060715	ZNUIPGKRZYYYAX-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1[C@@H]2CCCCC[C@@H]12	2049210839	FUBYFQUZUGEDKX-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H]1CCCC(C)(C)C1	2049492474	JGCRHPKLQMKFAZ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
O[C@@H](CC1=CCCCC1)CC1CCC2(CC1)CC2	2049825682	GNERPHNFUBTRQT-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1C(=O)CC1CCC2(CC1)CC2	2049947291	FILLOGUDEZWCQK-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
C[C@@H](N[C@H]1CC(C)(C)CC2(CC2)C1)C1(C)CCC1	2052332821	XBVPMSBGPPHSTB-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](c1ccc(C)o1)C1(C)CCCCCCC1	2052505153	OFLISNITECPBHE-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC1(C)CCCC[C@H]1CNCCC1=CCCCC1	2053379762	AXZIOCURLLRBHV-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCCNC[C@H](C1=CCCCC1)[C@@H]1CCC[C@@H]1C	2055273197	ZWQGNFWSZOLYRI-USXIJHARSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@H](N)C1=CCCCCCC1	2056449517	PKIMMUIAHRXSIE-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCC1)C1(C)CCC(C)(C)CC1	2056552438	LJHXBTTWJMOZAV-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@]1(C)C=CCCC1	2056876345	PMWHWKNFQBMATA-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCC1CCC(NCC2(C3CC3)CCCC2)CC1	2057605091	ZAINMRBYCLDXGD-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1(CCC2(C)CC2)CCCCC12CC2	2059176829	DWOGIWVOSYDZTB-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CC=C(C2(O)CCC3(CCCC3)CC2)CC1	2060918545	OIFLZYMSIXIKOA-CQSZACIVSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC(C)(C)C1CC1)C1=CCC(C)(C)CC1	2061143430	KMFSKMOBEPIAMH-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)(CCNC(C)(C)C)CC1CC(=C2CC2)C1	2061662352	RSKCAYSLRDIRAS-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@H]1C)C1(C)CC=CC1	2062642052	NISVSNDHAGEUJX-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1C[C@H]2CCC[C@@H]2C1)c1cccc(N)c1	2063497662	SEEICHYCEIWEFY-DAXOMENPSA-N	243.394	4.589	0	10	BJAE	
CC[C@H](NCCC1=CCCCC1)c1occc1C	2063678417	QOGAPPXZFWYGAD-HNNXBMFYSA-N	247.382	4.519	0	10	BJAE	
CC=C=CCCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1	2067326095	UNUBEBQMFOZJPE-RRIWGMQPSA-N	249.442	4.692	0	10	BJAE	
C[C@H](N[C@H]1CCCCCC12CC2)[C@@H]1CCC1(C)C	2068349466	VUNDBPAPSRWFGY-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)C1(C(C)(C)C)CCC1	2071932662	HDSNEXCGMIWUQU-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1(C(C)(C)C)CCC1)c1cccc(N)c1	2071945218	DPZMZNAWXZWLIX-CYBMUJFWSA-N	245.410	4.979	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H]2C[C@@H]12)C(C)=C(C)C	2072418758	VMBKTEPYVOOCOZ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CNCC1([C@H]2C=CCCCC2)CCC(C)(C)CC1	2075365873	SRPQZZJLOZLAJL-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CCCc1cccc(-c2ccc(O)c(CC)c2)c1	2076825342	ATVACQACJOHZRN-UHFFFAOYSA-N	240.346	4.574	0	10	BJAE	
CC=C(CC)[C@@H](NCC)C1(C)CCC2(CC2)CC1	2077197479	ZXFGGQDIJUBITL-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCCCCc1ccc([C@@H](N)C2(C)CCCC2)o1	2077987441	UWPFJPANFWRQNT-OAHLLOKOSA-N	249.398	4.592	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2079438785	JWVXLYXHZMOISF-FXUDXRNXSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@H]1C[C@H]1C1CCCCC1	2079493270	WMMKUHWLVXENIH-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
C1CCC(CCN[C@@H]2C[C@H]2C2CCCCC2)CC1	2079528526	KAXOKOJORTZQLQ-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
C1CCCC([C@@H]2C[C@@H]2CC[C@@H]2CCCCN2)CC1	2079670848	NYCPNIRKXOVHKX-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@]1([C@@H]2C=CCC2)CCCCC1(C)C	2081681848	HPWHJUAXPNUFRN-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@](O)(CC)CCCCC1CC1	2211120547	FEPLQZAVCDXJHQ-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CCCC(F)F	2216421434	SHAIJJMVNFMXKP-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CCN[C@H](CCCCC(F)F)CC(C)(C)CC	2216431475	XBPJFQYJQRMNKW-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
O=C1CCCCCCC[C@H]1CCCCC(F)F	2216515674	TURJVSJWLZGGIT-LBPRGKRZSA-N	246.341	4.742	0	10	BJAE	
CC[C@@H]1NCC[C@@H]1CCCCCCCC1CC1	2216888598	ATPHPDKERQVHPS-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CC(C)C)CC=C(C)CC1	2217154067	QLHOMQZZBTZWJW-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC[C@H](N2CCCC23CCC(C)(C)CC3)C1	2218032467	HYFFGUKSHRBGKE-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CCCC[C@@](N)(CC)c1ccc(CC(C)C)cc1	2218640312	NCTYUVYFFNLIKA-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CN(CCCCCC1CC1)C[C@H]1C=CCCCC1	2218672550	DODMPFYZVYIQTM-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
C=C=CC[C@@H](CCCCCCC1CC1)NCCC	2218727571	RFEDQZIJPJZLJI-KRWDZBQOSA-N	249.442	4.836	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)[C@]1(C)C=CCCC1	2220882115	WDZUIJBEARQPGX-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@H]1C[C@H]1C1CC1	2223110353	SANGISMBBKGBNY-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)NCCCC1=CCCCCCCC1CC1	2223111925	XQTOPLPEKKJZEL-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H](CCCCCCCC1CC1)c1ccoc1	2223135049	GOZSJOHHKMJFBY-INIZCTEOSA-N	249.398	4.681	0	10	BJAE	
C[C@@H](C[C@@]1(CNC2CCC2)C=CCC1)C(C)(C)C	2223563805	XJLPUDRUUORCIB-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCC1CC([C@@]2(CN[C@@H](C)CC)C=CCCC2)C1	2223574850	XFDCNWREYVVCKV-OTBWCIGPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCOc1ccccc1Cl	2243041091	XBNNTVGXBQQVST-NEPJUHHUSA-N	238.758	4.545	0	10	BJAE	
CCCCCC[C@H](O)CCCC[C@H]1C[C@H]1C	2243047565	HWCJBPMMNRBVIJ-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CC(=CC[C@H](C)CCCC(C)C)CCCN	2244847001	JVTMLFNBLHKOOE-CQSZACIVSA-N	225.420	4.524	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CC1(C)CC(C)C1	2246584939	LGGGVBGVAGAXHN-PWUWZPNHSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@H]1CCCCC12CC2	2246615948	ZAJMXWMLQWTZNC-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)CCCC2CC2)C1	2246660188	OACWCXSXUBJZGQ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC(=O)CCCCC[C@@H]1C[C@H]1C	2248858344	QJVBEECYPOAYPN-UKRRQHHQSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](C)CN(C)CC[C@H](C)CCCC(C)C	2250466374	DKHBQOVSNXPNKW-HZPDHXFCSA-N	241.463	4.817	0	10	BJAE	
C[C@@H](NCC1CC2(CCCC2)C1)C1CCCCC1	2254071914	JZLPZXGMFPZGLL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2CCC23CCC3)CC1	2254910887	AWJWRVZOAOIMOX-ZBFHGGJFSA-N	246.394	4.662	0	10	BJAE	
CCCC1CCC(N(C)CC2=CCCCC2)CC1	2255060232	YNMABAYLAMTHDR-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC(C)CNC[C@H]1CCC[C@H]1CC1=CCCCC1	2255097424	SJTKSFBHTMBKKC-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@H]1C)[C@@]1(C)C=CCC1	2257240866	MNLFLJGADOUUBW-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN1CCC12CCCCC2	2257309091	YBJFUFJTQINHBE-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@]12CCC[C@H]1CC2	2260503328	BQDZVFLJNZFWGY-GGACTWEQSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@]23CCC[C@H]2CC3)C1	2260516391	MNJPNQCRTCCCCZ-AIANPOQGSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@]23CCCC[C@H]2CC3)C[C@H]1C	2260522681	XYGKQJAIMHDUHY-KDEOKCCVSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCCCN1C[C@]12CCCC[C@@H]1CC2	2260626875	VNODJEKDSKBNPY-BRWVUGGUSA-N	249.442	4.611	0	10	BJAE	
CCC(CC)CC[C@H](O)CC1CC2(CCC2)C1	2300675683	HISXSOFIDKNWPV-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC(=O)C[C@H]1CCCC1(F)F	2300683798	NJGIAOOQUNPKTC-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C(C)(C)C(C)C	2300685815	JHXHJKYMPXLYEX-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@@H](O)CC2(CCC2)C1	2300686647	SWBXTCMHRDKXRG-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(=CC[C@H](O)[C@@H](C)C(C)C)CCCC(C)C	2300870437	URFKTEIDSUUEJP-HOTGVXAUSA-N	240.431	4.802	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H](CC)CCC	2300873188	XFTDGLNXXRMPCX-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CC(=CC[C@@H](N)CC1CCC1)CCCC(C)C	2300876181	CWZWFHZPDKYUAP-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CC(=CCC[C@@H]1CCCCN1)CCCC(C)C	2300919053	RKBVHITWCNCYFR-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](CC1CCCCCC1)C1CCC(N)CC1	2301238909	LCWYAXZVKRGJPP-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
NC[C@H](CC1CCCCCC1)C1CCCCC1	2301246205	DPWAZPOJEJMRFZ-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
O=C(CCC1CC1)c1cc(C2CC2)ccc1Cl	2301330607	NIKAJEUMOMSSJR-UHFFFAOYSA-N	248.753	4.590	0	10	BJAE	
C[C@H]1CCCC(=O)[C@H]1CCCC1=CCCCC1	2302331613	NPULCBNGIFMCSI-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CCC1(O)CCCCC1	2303460945	FQJGESMHATYKGO-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@]1(CC(C)C)CCC(C)=C(C)C1	2303479615	BGLQOVAQWSABSH-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@H]1CCC(C)=C(C)C1	2303584573	QWAJFVVYBNKQQV-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](C)CCNCC[C@H]1CCC(C)(C)C1	2304369691	OANYRGNSUCAKBQ-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)C1CCC(C)CC1	2307818042	WOEZXKWVQCXWCE-GYTBAZASSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@H]1CC=CCC1	2307900270	AKZNXIRQNFWTOP-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CCC(N)(C[C@H]2CC[C@@H]3C[C@@H]32)CC1	2310900787	DQHGJAPJWSKIJV-IZTSSTLKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@H]1N[C@@H]1C[C@H]1C1CCCCC1	2311538198	RKRIPDIFLUIPCB-MWDXBVQZSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313353040	HKNFZVGUPGQGKO-YVSFHVDLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)[C@H](N)C1(C1CCCCC1)C1CCCCC1	2316416026	MHXNQHKQBWITER-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1CCC1)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316874571	LXLNTBSOEZEOHX-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(C[C@@H]2CCC[C@H]2CNC2CC2)CC1	2316997907	FCYPUTSRJFTKDA-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCCCCC1)C1C[C@@H]2CCC[C@H]2C1	2317011101	UPWLZVJBNOPLOT-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
NC[C@]1(CC2CCCCCC2)CCC=CCCC1	2317014680	BBLOUANRJUKCHX-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@@H]1[C@@H](C)[C@H]1C	2317905745	BZQJPDJAAPOREB-WTTBNOFXSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)CCCC1CC1	2318564708	BMPHZDGLEQTDRE-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C1=CC[C@@H](C)CC1	2318881616	XBCHKMGNSZSORY-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C(=O)CC[C@@H]1CC[C@H]1C1CC1)C1CCCC1	2319684077	XFCXUUOSYPBQAF-RCBQFDQVSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320103507	JNTCAKJMAFBVDA-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H](C)C2(C)CCCC2)CC1	2320230427	HFOFHBXOMOIIHA-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H]2CCC(C)(C)CC2=O)CC1	2320336196	FLRJEQYVIOPQRP-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](O)[C@]2(C)C=CCCC2)CC1	2320406122	KOLBMNGPCNTCBE-IXDOHACOSA-N	248.410	4.620	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](NCC)c1ccccc1	2328272436	FZTZJBGOCCZTNV-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
CC(C)C[C@H](C)Nc1ccc(Cl)c(Cl)c1	19983391	OJAZNWUKEYCKBE-VIFPVBQESA-N	246.181	4.840	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccccc2Cl)cc1	20554028	CCFRUAOPKPUCOD-LBPRGKRZSA-N	245.753	4.822	0	10	BJAE	
CC[C@@H](Nc1ccccc1C)c1ccc(F)cc1	21517518	CNIDGBLKJUMVRC-OAHLLOKOSA-N	243.325	4.697	0	10	BJAE	
CC[C@@H](NC1CCCCCC1)c1ccc(C)cc1	21811165	UYPNYSPQULRIKC-QGZVFWFLSA-N	245.410	4.759	0	10	BJAE	
CCCC1CCC(COc2ccccc2)CC1	34311022	SEIADGBRLUWCDE-UHFFFAOYSA-N	232.367	4.672	0	10	BJAE	
CC(C)c1ccc([C@H](Cl)c2cccnc2)cc1	40277545	OWMPAHMTUUYFSS-HNNXBMFYSA-N	245.753	4.533	0	10	BJAE	
CC(C)(C)Cc1nc2cc(C(C)(C)C)ccc2o1	62534507	DZLPOOIYIDBAKP-UHFFFAOYSA-N	245.366	4.714	0	10	BJAE	
Cc1ccccc1-c1cccc2ccccc12	67738790	DRFPSPRQWNZEMK-UHFFFAOYSA-N	218.299	4.815	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H](CC)CCCC	68985778	BVWBKXPEINRXDQ-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(C)c(F)c2)C1	71105865	BPXBIYYQDPPEOT-OLZOCXBDSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCCC[C@@H]1O	71110181	XAGGYXCMJJRJIF-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCC[C@@H](C)C1)c1ccccc1	80423913	ASKRKQCLGCLWTE-VYDXJSESSA-N	245.410	4.554	0	10	BJAE	
Cc1cccc(Cl)c1-c1cccc(F)c1C	85389244	PWQAUHYXZLOLHQ-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
CN[C@H](c1cc(C)ccc1C)C1CCCCCC1	104004900	KDMGAYQFSXIXOD-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H](NC1CCCCCC1)c1ccccc1F	122471871	IZWYZRMYMXXLAR-MRXNPFEDSA-N	249.373	4.589	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H](CC)CCCC	125367544	LZEBNSOKLCWTHB-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@@H]1CCC(C)C	135186901	JADGZGHQCKRTKW-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC(C)(C)C[C@@H]2C)cc1	155827280	CQUMRTGLFRBKMH-XJKSGUPXSA-N	245.410	4.876	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1cccc(CC(C)C)c1	157897589	VCSFJVQCVWLGMQ-INIZCTEOSA-N	247.426	4.582	0	10	BJAE	
CCN[C@H](CC1CCCC1)C1(CC)CCCC1	162735293	MKCHLAURFZANPL-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CCO)CCC1CCC(C(C)(C)C)CC1	204566203	MSYKZMFGNYTXHW-WLYUNCDWSA-N	240.431	4.638	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H]1CCC(C)(C)C[C@@H]1C	222106820	XVUMHAUOLZCIPQ-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(F)c(C(=O)[C@H]2CCCCC2(C)C)c1	226784890	QDWKGFYCZICQHJ-CYBMUJFWSA-N	248.341	4.533	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccc(Cl)cc1C	229619225	CDTWKADHNYWWAA-SMDDNHRTSA-N	237.774	4.639	0	10	BJAE	
CCC(CC)CC(=O)c1ccc(Cl)cc1C	232851728	DBTHMFHIKYVOTQ-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCC(C)(C)CN[C@@H](C)c1c(C)cc(C)cc1C	232969411	YMXKHXUFSKYTKX-HNNXBMFYSA-N	247.426	4.699	0	10	BJAE	
CCCN[C@H](c1c(C)cccc1C)C1CCCC1	233106970	POBGGRGVBVKBNJ-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2cccc(Cl)c2)C[C@H]1C	251859313	PRZNNDNOEVCLKI-JTNHKYCSSA-N	237.774	4.577	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H]1C[C@H]2CC[C@H]1C2	253193889	PFOPSNUWJJSSMK-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCC[C@H](CC(C)C)C1	300311368	YFPKRLCENJKLJL-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@H](C)CCC)CC1	300343881	BQRPTNPPSLPPNG-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H](C)CCCC	300936670	NGQJQOLEFXBYMN-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)C1CCCCCC1	302304492	FEIXJNZZTITHQR-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(NCC2CCCCCCC2)c1	305931812	OZILZLXTACLDJT-UHFFFAOYSA-N	231.383	4.767	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCC(C)(C)C)c(F)c1	306005115	HHFRYWVFCNFCID-LBPRGKRZSA-N	237.362	4.761	0	10	BJAE	
CCCCCC[C@@]1(C)[C@H](CNC(C)C)C1(C)C	306063646	ZUPYFPHYNJEAOA-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CSc1ccccc1N[C@@H]1C=CCCCCC1	310070821	MVVFDVFGMWRQAM-CYBMUJFWSA-N	247.407	4.709	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H](C)C1CCCCC1	310240775	INCVBFMEOCBFNG-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](NCC1(C)CCCC1)C1CCCC1	313428287	MGRJCXWXHBCRFG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NCC)[C@H](C)C(C)C	319495808	FLWXSEDHGNIMJT-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@](C)(O)C2CCCCC2)C1	380037340	IDIKVMKZVSTYAQ-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1CCCCC1(F)F	382013773	ZPRWBWOFPAYCNZ-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC(C)Oc1ccc(N[C@@H](C)CC(C)(C)C)cc1	384798275	SFLXSADXSQWXJI-ZDUSSCGKSA-N	249.398	4.710	0	10	BJAE	
Cc1ccc([C@H](N)CC2CCC(C)CC2)c(C)c1	385262999	BBZDYKYLHHAOHX-MWHAMWOXSA-N	245.410	4.520	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccc2sccc2c1	386507411	BIWRUPOJDNYOFA-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)c1ccccc1C(C)C	386684733	YVBICTONXNZSLU-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)c1ccccc1	391139858	QVTUXHZQZBXGEQ-CQSZACIVSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1csc(C)c1	392891298	UFKVQQBQBBBSMK-JSGCOSHPSA-N	240.412	4.696	0	10	BJAE	
CCC(C)(C)CNc1cccc(Cl)c1Cl	394557487	KEXWYARUQDDURV-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
CCOc1ccc2sc(C(F)F)c(C)c2c1	396259383	XZBBSBPLMMFIOJ-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@H](C)C1CCC1)NC	398705762	LIKCJFIADKAGPV-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)c1ccccc1C	400453794	HTOQRLKPEAZZEG-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)c1cccs1	402227138	XDLYCHPFTSNJHM-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
C1CCC2(CC1)CCC[C@H]2NCCCC1CCC1	688392697	HDSBTKRJGPBEFK-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCCC[C@@H](C[C@H](C)CC(F)F)NCCC	688798705	JTDMYQMXZLROHJ-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(CC)ccc1CC	689595651	JXAWMUSDTDAKHQ-OAHLLOKOSA-N	233.399	4.802	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccc(C3CC3)cc2)C1	690078470	GSQMRRUFIDFVCI-LRDDRELGSA-N	229.367	4.555	0	10	BJAE	
Cc1cccc(N[C@H]2CCCCC[C@H]2C)c1F	691079896	MWIFFXAQUPJXQP-YPMHNXCESA-N	235.346	4.515	0	10	BJAE	
CCCCC[C@@H](O)c1cccc(C(C)(C)C)c1	691675438	AYOYUYPGWLUJDQ-OAHLLOKOSA-N	234.383	4.598	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1ccc2sccc2c1	691785409	JIMMGPDLVYHLNM-CYBMUJFWSA-N	247.407	4.727	0	10	BJAE	
CCCC1CCC(N[C@@H](C)C(C)(C)CC)CC1	695097209	FNXKVHDPHJYRIR-NFOMZHRRSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CCC[C@H](C2CC2)C1	696805191	GDMYXALNEKIOIP-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1[C@@H]2CCCCC[C@@H]2C12CCCCCC2	701855461	CJJODEIUCQYKHE-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	703732945	GQLSKPIUARBJLL-APHBMKBZSA-N	233.399	4.738	0	10	BJAE	
CCCC(N)(CCC)CCC(C)(C)CC	707507802	MCPLMNVDADYTRO-UHFFFAOYSA-N	213.409	4.501	0	10	BJAE	
CCc1ccc2nc([C@@H](C)CC(C)(C)C)[nH]c2c1	709138582	ZLAWQICHNGEOQT-NSHDSACASA-N	244.382	4.665	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC/C=C/c1ccccc1	709257307	GRHWWRQLKNYBIH-XKOZXHHJSA-N	244.378	4.731	0	10	BJAE	
C[C@@H](CCC(=O)C1CCCC1)CC(C)(C)C	709273220	NPDQLXHFHSMKHJ-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1csc(C)c1	710753962	CHZMUAYMMSLDMP-CHWSQXEVSA-N	237.412	4.685	0	10	BJAE	
CCC(CC)C[C@H](C[C@H](CC)C(C)(C)C)NC	711098479	VGBOOYSQCKVUHX-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H](C)C(C)(C)C)NC	711107309	INKULQSLQYGZCP-HIFRSBDPSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C)(C)CNc1ccc2sccc2c1	713163500	BQTIMLQBVLRMKO-UHFFFAOYSA-N	247.407	4.995	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccc(Cl)c(C)c1	713190382	WPRCZUSSSPITJH-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CCCC(C)(C)CC1	713229048	AQIIKNPRZRPVOC-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC(C)(C)CC)CC1	713234341	WMBWCPMCAHXBRM-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC(C)=C(C)CCc1ccc(C(F)(F)F)cc1	718669679	NXDUGSGURKOKPC-UHFFFAOYSA-N	242.284	4.994	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCCC(C)(F)F)C1	718708416	CSGOJLBBYZQQGL-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cscc1Cl	718771391	HAJDENBOFREJGI-UHFFFAOYSA-N	242.771	4.721	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CCCC(C)(C)C)s1	719414272	JWGOPCATWFDYPF-LBPRGKRZSA-N	240.412	4.615	0	10	BJAE	
CC[C@H]1C[C@@H]1COc1cc(C(C)C)ccc1C	723145731	AMVWETPVQVLOHU-DZGCQCFKSA-N	232.367	4.543	0	10	BJAE	
CCCc1ccc(N[C@H]2CCCC3(CC3)C2)cc1	723568362	JJLLKFHRLAMGDJ-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CC1(C)CC(CC(=O)[C@@H]2CCCCC2(C)C)C1	723577483	ZOEMQWVMSAFNGS-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
c1ccc(CSCCCC2CCCC2)cc1	1458895181	FUBKMGGJVPAPPJ-UHFFFAOYSA-N	234.408	4.890	0	10	BJAE	
C/C(=C/Cl)CS[C@@H]1C=CCCCCC1	1613734528	LRXBAVGCGCNLHO-BXZLKFCHSA-N	230.804	4.751	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CSc1ccccc1F	1651732769	BQHWIXQLYYTZBX-VXGBXAGGSA-N	238.371	4.744	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)c1ccc(Cl)cc1	1901167675	MTNLPXGZZSGTKT-GFCCVEGCSA-N	239.790	4.601	0	10	BJAE	
CCCC[C@](C)(N)CCCC1=CCCCC1	1901964345	KPBFPTNQWCOGQV-HNNXBMFYSA-N	223.404	4.565	0	10	BJAE	
CCC[C@@H](CC)C[C@H](C)c1ccc(N)cc1	1905357487	BWIUIXPYZCSGBU-QWHCGFSZSA-N	219.372	4.589	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCC[C@H](CC)C1	1905395018	YLOGVLDQGRWDEO-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](O)C1CCCCCCC1	1908583225	PKJOUOCJBAGDHI-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@@H]1C[C@H]1CC	1909603828	XIZPFRUVOCYEGN-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC=C[C@@H](NCC)C1CCC(CCCC)CC1	1912060771	INQNKKPSVRMDSE-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	1912075279	SAYDEHJFZZANGW-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC1(CCNC2CC3(CCCC3)C2)CCCCC1	1912722568	OCNJPAXUQKUJCM-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)CNC[C@]1(CCC2CCCC2)C=CCC1	1916380630	PDTQTVSZCJUKAW-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@@H]1CCC2(CCCC2)C1	1916443554	YRQNYOTVSWVROM-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CC[C@H]2C[C@H]2C1	1919948622	OZVWBPMNVHYFSS-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(O)CCC1CCCC1	1919960429	OGXQDMNYZQMQQQ-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCCc1ccc([C@@](C)(N)CC(C)(C)CC)cc1	1920453235	ZIBKHJDDEYSVFR-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
C[C@@H]1C[C@@H](CC[C@@H]2CC2(C)C)c2ccccc2N1	1921558021	LWROQQRRPUCYKD-MGPQQGTHSA-N	243.394	4.801	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)CCCC(C)(C)C	1940257101	XHDIDWLBLKISJE-MRXNPFEDSA-N	241.463	4.848	0	10	BJAE	
CCN[C@H](CCCC1CCC=CCC1)C(C)C	1941792235	CBRFYZKJQMKUDM-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@H](C)CCC(C)C	1942654660	BZDHTYIHJWRFHB-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](NC)[C@]12CCCC[C@H]1CCC2	1944136302	MZNNMNSKCILLHD-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	1945311277	LZHOGHJKPXMYDS-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)CCC(C)(C)C1CC1	1947523099	ISMVNYWPIFTYIY-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
Cc1cscc1C(=O)[C@@]12CCCC[C@@H]1CCC2	1948008632	RJPXMASHEWPLIA-IUODEOHRSA-N	248.391	4.600	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H]1CCCCC12CCC2	1948453080	LPTYBOZYVBIKCJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1cscc1N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	1948586142	LYGQMGMTUUVBKH-GZBFAFLISA-N	249.423	4.827	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)CCCC(C)C	1948965321	YISVGPTWNTYCON-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCC[C@](N)(CCC(C)=C(C)C)[C@H]1CC1(C)C	1949045268	MXZKQURFILJPFL-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CCC[C@H]1CC1(C)C	1949052651	DGPUDUHODHHUJS-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)(CCC[C@H]1CC1(C)C)C1CCC1	1949053204	FTIHZRITUAJQRE-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@H](N)CC1(C)CCCCC1	1949066699	MRIMXFZIODGVHM-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@H]1C=CCCCC1	1949139173	JWSHDAFUHAGFGS-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
Cc1cc(S[C@H](C)c2ccccc2)ccc1O	1949789694	ZTXLDIXZEJPXBT-GFCCVEGCSA-N	244.359	4.554	0	10	BJAE	
CC1(C)CC[C@@H](CN[C@H]2CCCCC23CCC3)C1	1967718126	YGCUDVIOAFRPSE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1cccc(C2(C)CC2)c1	1967831662	BCKITQGPJCRXQW-CQSZACIVSA-N	245.410	4.975	0	10	BJAE	
CC1(C)CC[C@H](Nc2cccc(C3(C)CC3)c2)C1	1967832331	MFASPSAFRRBAMQ-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
CC(C)c1ccc(CN(C)C[C@H](C)C(C)C)cc1	1968377064	KHDOGISGPNWXJK-HNNXBMFYSA-N	247.426	4.534	0	10	BJAE	
Oc1cccc(-c2ccc(C3CCCC3)cc2)c1	1968550830	GWJIKHTVRWWZDX-UHFFFAOYSA-N	238.330	4.717	0	10	BJAE	
C1CCC(CN2CCCCC23CCCCC3)CC1	1972912963	RJUGXWYLGWPBJL-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCCCCCC(=O)[C@@H]1C(C)=CCC[C@@H]1C	1978510208	LWCQXWCODWKEST-DZGCQCFKSA-N	222.372	4.518	0	10	BJAE	
CC=CCCC[C@H](O)[C@@H](CCC)CC(C)C	1984604209	VLYFZIUZERMUSB-GJZGRUSLSA-N	226.404	4.556	0	10	BJAE	
CC=CCCCc1ccc(C2(C)CC2)cc1	1984616522	NFEZDDNSBSNKIE-UHFFFAOYSA-N	214.352	4.637	0	10	BJAE	
C/C=C/CCC[C@H](N)C[C@H](CC)C(C)(C)C	1984650014	STCNGONGLRDZCF-AJKRIUKHSA-N	225.420	4.523	0	10	BJAE	
CCC1(C[C@](C)(O)CCC(C)(C)C)CCC1	1988433181	OWYBKZROVPFDRH-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@@H](C)[C@H](C)CC	1995262206	LOPHUWPIODIYDI-XGUBFFRZSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NC)C(C)(C)CC	1995262210	LOTAUGLUXHXTPW-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)Cc1coc2c(C)cc(C)cc12	1995464700	VEVZZVCSPAOOOF-JTQLQIEISA-N	216.324	4.638	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@@H]1CC[C@@H](C)C1	1996261409	VVZLZVWPYCEDQQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1csc(CNc2c(C)cc(C)cc2C)c1	1996648530	ARTUYKGYIXCHSB-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@@H]2CC)cc1	1998753718	XPEOOCKYTGVLKB-GOEBONIOSA-N	231.383	4.630	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)C1(C)CCCCCC1	2000320991	OVDBGZFMJQJSNA-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)[C@@H](C)CCC(C)C	2000324593	UQYOOXHGEILJKC-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@](C)(CCCC1CC1)CNC(C)(C)C	2000509909	QOSFLLGVCWBAQV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCCC(=O)C[C@@H](C(F)F)C(C)(C)C	2002437627	PZCUBEPVFJPXAL-LBPRGKRZSA-N	246.341	4.619	0	10	BJAE	
CC(C)C(=O)CCC[C@@]1(C)CCCCC1(F)F	2002580876	UQRTVRCQYMXIRH-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003003902	DXHIHSJCLXLARV-ZQDZILKHSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CCCC(C)(C)C)C1	2003012856	CNYZPTJNWKFQRJ-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2ccc(C3CC3)s2)CC1	2003067203	OPRVHMSJZOAMNZ-UMSPYCQHSA-N	248.391	4.635	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCCCCC[C@H]1N	2003118638	SHKUTOIYPVEHES-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@@H]1CCC2(CC2)C1	2003210327	DCSQQCBSOIODKN-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC1CCC2(CC1)CC2	2003222092	UKZBKRXFEDJQMK-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@H]1CCC2(CC2)C1	2003271856	AEOICJWCQUIQJK-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
N[C@@H](CC1=CCCCCC1)c1ccc(Cl)cc1	2003698399	NRJYGUKBTKLVNO-HNNXBMFYSA-N	249.785	4.620	0	10	BJAE	
CCC1(C)CCC(N)(CC[C@H]2CC2(C)C)CC1	2004337859	WUVNDSVQNZBAJH-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCC2(CCC2)C1	2004712120	QFAKMNWBOXRIOZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)CNC1(C)C(C)(C)C1(C)C	2004713009	VYQOFPSDFWKWHR-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@]1(CO)CCCCC1(C)C)C(C)(C)C	2005584329	VVUHPDQDLBPSPQ-CJNGLKHVSA-N	240.431	4.638	0	10	BJAE	
CC(C)CCC[C@@]1(CN)CCCCC12CCC2	2005600450	IIHFCBQRRNYKFS-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCC1(C[C@H](N)C2(C)CCC(C)CC2)CCC1	2007693008	QSVCPONODLPDJN-SLTAFYQDSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CCCCC12CCCC2	2009589553	AVHCKCCGVWCSFV-WOMSROEHSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCCN[C@H]1CCC[C@@H](C(C)C)CC1	2009597843	HXYKRULSRROUFX-SGFLJFKBSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](N)C1=CC[C@@H](C(C)C)CC1	2010715219	KOVMZHADPNMUIN-UKRRQHHQSA-N	237.431	4.523	0	10	BJAE	
CCCCCC[C@@](C)(O)CC12CCC(CC1)C2	2012822813	KMGRAABPPQHBFU-HWOWSKLDSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C[C@H]1CCC[C@@H]1C	2013307935	APJQLNGWSQGMQM-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
C[C@H](CC(C)(C)C)NC1CC(CC(C)(C)C)C1	2014657789	WLLOSIKNWKBYSK-IYXRBSQSSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@@H](O)[C@@]1(C)CCCC(F)(F)C1	2014965152	DQWRTELVHNKWFT-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCN(CCC(C(C)C)C(C)C)CC(C)(C)C	2015391872	HILCNTIKWYHZNU-UHFFFAOYSA-N	241.463	4.673	0	10	BJAE	
C[C@H]1C[C@]1(C)CC1(O)CCCCCCCCC1	2016303308	ZUUUBJPSTUXVRO-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)CC(F)=C(C)C	2017462534	BJDBNCHLUFDBQL-OAHLLOKOSA-N	241.394	4.588	0	10	BJAE	
CC(C)=C(C)[C@]1(N)CCCC2(CCCCC2)C1	2017477804	LJTNOYXFGVLGBJ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@H]1CC[C@H](C)CC1	2017650615	JDRWVVCWGPEOKP-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1[C@H]2CCCCC[C@H]21	2018131108	MJZLYOVAEXYLNW-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@]12CCCC[C@H]1C2	2018587473	MLMLVTQSDOXMCU-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@H](C)[C@@H]1CCC[C@H](C)C1	2019384893	KHOTURFRAXUHDP-RFBLXINOSA-N	239.447	4.568	0	10	BJAE	
CCCC1CCC(O)(C[C@H](C)C2CCC2)CC1	2019767225	LAWLIAYLGOWYCY-HLIUYOAVSA-N	238.415	4.534	0	10	BJAE	
CCCCN(C1CCCCC1)[C@H]1CCC[C@@H]1C	2020535502	ICFGRGPRRFRFJK-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCCCN(C1CCC1)[C@@H]1CCC[C@H](CC)C1	2020635650	PDUMZRLLNRGFEC-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@@H](C(C)C)C2)CCC1	2025622588	VRJNCVXMZBITPL-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H]1CC12CCC2	2026073914	JTPJOCPKZNZTID-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCc1ccc2occ(C[C@H](C)CC)c2c1	2026534263	VPGWKLNNJUVTJZ-GFCCVEGCSA-N	230.351	4.974	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)CCC2(C)CC2)cc1	2027725956	MRICAAKHHOUTAV-CZUORRHYSA-N	246.394	4.814	0	10	BJAE	
CCN[C@H](c1ccccc1C1CC1)C(CC)CC	2028553225	WWXCTLSUVJRKDN-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCC1([C@H](N)c2ccccc2C2CC2)CCCC1	2028559746	JQGLXGABTAMBNY-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
Cc1ccccc1[C@@H](O)C(C)(C)C1CCCCC1	2032276266	MZFNWRPPGZCLMU-MRXNPFEDSA-N	246.394	4.635	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)c1cccc(C2CCC2)c1	2032425801	BBAWHSKJHMVZEB-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H]1CCC[C@@H]1C	2032476506	SCPXUGIVNWCVPR-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H]1CCCCC1=C1CCNC[C@H]1CC(C)C	2032490078	JDJHBIMCIOPLGK-HUUCEWRRSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@@H](NC2(C3CCCC3)CCC2)C1	2033048651	NDMOCSQCFUAGPG-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
Cc1ccccc1NC1CC(C2CCCCC2)C1	2033833208	ZUHKLJRWKCSLIN-UHFFFAOYSA-N	243.394	4.766	0	10	BJAE	
CCCNC[C@]1(C[C@H]2C=CCC2)CCC[C@@H](C)C1	2035586037	AHTBKNAYLPPTBI-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)C1CCC(C)CC1	2035590491	JKRWYILOQQFDDI-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1CC2(CC2)C1)C1(C)CCCCC1	2036175956	RCIITXFNDZVYRW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
N[C@@]1(C2=CCCCCCC2)CCCCC12CCC2	2037073748	NHOMJGLBCKDSLB-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC(C)(CC[C@@]1(N)CCC2(CCCC2)C1)C1CC1	2037158558	ANPRJMKYALVRSX-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC(C)NCC1([C@H]2CC[C@H](C)C2)CCC=CCC1	2037698046	LHXQQPGFEGHRLP-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@](C)(O)c2ccccc2)C1	2038167634	SFDVZISFEJFBHO-VYDXJSESSA-N	246.394	4.501	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCC2(CCCCC2)C1)C1CC1	2040767643	VEKQMDYVVSUOJL-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H]([C@@H]1C=CCCC1)[C@H]1CCC[C@@H](C)C1	2043187192	KBRKLUBQWUWFSH-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(CN[C@H](C)CC2=CCCCC2)CCC1	2043189485	BHGAJSPARPWYSF-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C[C@H]1[C@@H](C)[C@H]1C	2043409135	ZWCQBFUKEHTYFR-FSDCSDTHSA-N	249.442	4.537	0	10	BJAE	
NCC[C@H]1CCCC(=C[C@H]2CCC=CCCC2)C1	2045321367	VFAXNHGOOXJNRO-JKSUJKDBSA-N	247.426	4.588	0	10	BJAE	
CC(C)CCCC(=O)c1cccc(CC(C)C)c1	2045564291	AFZAIWPSACHQBP-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@H]1CC12CCCCC2	2047015258	HPLIVYUSINCABB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2CC23CCCC3)CCCCC1	2047054069	AQKHDJVHMNEYIQ-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC([C@H](C)Nc2ccccc2F)CC1	2049418175	OFOGMQOEQBOLDG-HSBZDZAISA-N	249.373	4.843	0	10	BJAE	
C1CCCCC(NC[C@@H]2C[C@H]3CC[C@H]2C3)CCC1	2049671990	IUXCLWJHQMLREW-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@]1(C)C=CCC1	2050005965	JVXQXFCUPUHMET-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC(C)(C)C1CC(C[C@@H](N)[C@@]2(C)C=CCCC2)C1	2050009316	MHXSAXRYCHEQKV-BOXZVXIZSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CCCCC(C)C)c1cccc(C)c1	2050456520	RICMPJIHDSNHOE-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CN[C@@H](CCCC1CC1)[C@@H]1CCCCC12CCC2	2053414059	WTJBMMJGMYMARP-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@@H]1CCCCC12CC2	2053415551	JSTSZOPOVKZDSC-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2C=CCCC2(C)C)CC1	2055533737	WOLUIRHLIHTFFP-CABCVRRESA-N	249.442	4.680	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2CC(C3CCC3)C2)C1	2056670106	SYXROAYBMBHBKV-JMVNKWJPSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C2CC(C3CCC3)C2)C1	2056676550	AWTICZLREPDFFJ-IQAUEXFUSA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(N[C@H]2CCC[C@H]2C2CC2)C1	2059394825	BTTWYPSZPOSIAF-KMZOKZLKSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC=C(C2(N)CCC(C(C)(C)C)CC2)CC1	2060912697	GNTWUOAGSLUZFX-TUBUQKNSSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)C1=CC[C@H](C)CC1	2060931015	XBXNYSLZFPOCNU-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C(CC(=O)c2ccccc2F)CC1	2061193874	CEPPHFXFBSNLSI-LBPRGKRZSA-N	246.325	4.535	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC[C@@]12CCC[C@@H]1C2	2061618029	SGUNPYIRUQMRJW-VQHPVUNQSA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(CC1CC(=C2CC2)C1)C1CCCCC1	2061665212	OKTDPIZSLHXNSH-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCCNCC(CC)(CC)CC1CC(=C2CC2)C1	2061739680	QADDFOATIQEMRS-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
Cc1cccc(C)c1NCC1C[C@@H]2CCC[C@H]2C1	2063472276	RXIOVFASJODUEW-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063536525	TXXKMDGGXGIJDL-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H](NCC)C12CCCC1CCC2	2063821711	KILNTXMDDROHEQ-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](NC)c2ccccc2C)CCC1	2069342541	PUEWVURUIRSSKF-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCC1(CC2CC2)CC1	2069506742	GZRLOPGNEBCKND-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)C1(CC2CC2)CC1	2069511980	XCJPUZBJQCKZNU-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1([C@H](N)CC2CCC=CCC2)CCC1	2071928391	LQGISUXTNKBXHB-OAHLLOKOSA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@@H]2CC23CCC3)CC1	2072798715	MAACDQXNINFHOR-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)C=CCC[C@@H]2C)CC1	2072876371	ZOVRJXZLEPKGOR-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CCNC2(CCCC2)C1	2074138486	KHMRBFGTWPHSEV-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@]1(C)CC=CCC1	2074645242	ZHZZDXFLUXLNJN-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(N2CC[C@]23CC[C@H](C)CC3)CC1	2074854235	MULAYAXEEPEDIN-RVHHWGHKSA-N	249.442	4.610	0	10	BJAE	
CCC[C@@H]1CCCN([C@@H]2CCC23CCCCC3)C1	2075017288	TVLCNQXZNMSVDV-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC(C)CC[C@H](C)N1CC[C@H](C)c2ccccc21	2075234288	VWMZKLMANQPFTL-GJZGRUSLSA-N	245.410	4.825	0	10	BJAE	
CCCCN(CC1CCC2(CC1)CC2)C1CCC1	2076743270	HRNWTGATESOTFQ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCCc1ccc([C@](C)(O)C(C)(C)CC)cc1	2077919353	YLMKEFRNFHDUDC-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2C[C@H]2C2CCC2)CC1	2079419965	LAVIMOGHIFXXTM-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@H]1C[C@@H]1C1CCCCC1	2079477241	SWHIKHAQDNDTTF-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C1CCC(C)(C)CC1	2080259380	IJTRELSUBVQCJF-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCCCC[C@H]1C	2081946827	LZBMGHBRKVDDAB-DOMZBBRYSA-N	249.373	4.769	0	10	BJAE	
CC(=C1CCC2(CCCC2)C1)[C@H]1CC[C@@H](N)CC1	2082134868	YELRTNMOFPIHCB-FZNQNYSPSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@@]23CCC[C@@H]2C3)C1	2082984749	DCCINBHDNRQSER-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@](C)(N)CC1CC2(C1)CC1(CCC1)C2	2083616904	FWEMZIOFSOSPAL-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CCC=C1CCCNC12CCCCC2	2083808762	IJHXLQPNFPJLSS-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC1(C)C[C@](N)(CC2CCC3(CC2)CC3)C1(C)C	2084342727	NCIPTLAXLHRVIY-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CC12CC2)CC1(C)CCCCC1	2086350896	NZBAINZLGLWQHZ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@](O)(CCCCC1CC1)CCC(C)C	2211119074	MDQZTDYTOFFACR-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@](C)(O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213276944	FRSOJMYXVMVQHW-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@@H](CCCCCCC1CC1)NC	2213574404	SWLWQVBYSJJFIB-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
O=C(CCCCCCC1CC1)C1CCCCC1	2213581047	RWGGKAILKACYRH-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@H](N)C1CCCCC1	2214767817	PRMRLBPKHMMBIO-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C1CCC(C)(C)CC1	2215332018	MOSPXJIEECYPNG-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1(C)CC2(CCC2)C1	2215388179	UIZMLZCZPYGJDO-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC1(C)CC2(CCC2)C1	2215436379	ZKKWKNFGVVFSDU-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@]1(C)CC=C(C)CC1	2215807740	BHFFUZQLBSITPD-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCCC=CCN[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216252213	ISIJLSKCEKHAMU-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C[C@@H]1[C@@H](N)CCCCCCCC1CC1	2216878399	UTWSQVQIJZGFDZ-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@]1(CN[C@H](C)CC)C=CCC1	2217130561	PCZRTUQIVXIBLH-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)C1C[C@H]2CCC[C@H](C1)C2	2218348935	DOMVXSYBIXLOLB-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1C[C@@H]2CCCC[C@H]21	2218718062	KBIAUEIQEJZYHE-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CCCCCCC1CC1)c1ccco1	2218718763	QXDGPZOCCBKNEW-INIZCTEOSA-N	249.398	4.594	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@@]12CCC[C@@H]1C2	2218725270	JFLAKPTWARLTAO-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CC=C(C[C@H](N)C2CCCCC2)CC1	2220300776	GNJGREXTVVJROY-WBVHZDCISA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1ccccc1C1(C)CC1	2220927367	XLZRGHASOKPMSD-KGLIPLIRSA-N	243.394	4.586	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CCNC12CCC2	2223131484	ZCFGUIYDEZYVDE-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(CNC3CCC3)CCC2)C1	2223590218	VMTQMNNTBKNJRR-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@H](C)c1ccc(C)cc1	2223963638	KPJYUVAJIJXXLD-UXLLHSPISA-N	247.426	4.513	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C1CCCCCC1)N2	2224125097	RDXGINHZEUOIQD-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
CCC[C@H](CC)C(=O)CCCCCC1CC1	2244774182	FIFSOTVBFADUTB-AWEZNQCLSA-N	224.388	4.742	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@@H]1CCCCC12CC2	2246615949	ZAJMXWMLQWTZNC-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc2c1N[C@H](CCC(C)(C)C)CC2	2246647789	SSNFEDFQHDURMH-AWEZNQCLSA-N	231.383	4.548	0	10	BJAE	
CC1CC(C)(C(=O)CC[C@@H]2CCC[C@@H](C)C2)C1	2246656775	NNZDLSPTFRFULP-RXFTYZNJSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC1CC2(CCCC2)C1	2246815304	PQDOOWJKOBAFGL-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCCC[C@H]1C[C@@H]1C	2247174599	WSUFLKROXGJXPR-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C[C@H]1CCCC12CC2)NCCC	2247605129	HFSIYWJFGIDCIP-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H](C)[C@@H]1CC12CCC2	2248292278	RXTYAKPHYREKIW-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CCN(CCCCC[C@H]1C[C@@H]1C)CC(C)(C)C	2248851559	HQZCSJMBRFVNHL-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H]1C)[C@H](CC)CCC	2250367225	OQQZCKXZWMDSCO-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CN[C@@]12CCCC[C@@H]1CC2	2251126116	QVGUKBRJYKNHCD-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C1CC(CC(C)(C)C)C1	2251535855	OVMRXEXWYYHSKN-FEPKRQSRSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCC[C@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251702872	UCEFTVIPVDBRAY-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](O)c1ccc2ccsc2c1	2253058683	QQUCZLDFJZWSTR-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
N[C@@H]1CCCCCCCC[C@H]1CC1=CCCCC1	2255092945	XGVGFJZFQVADEP-DLBZAZTESA-N	249.442	4.955	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@H]1CCCC12CC2	2255325948	BRUUDMCTMFFLDP-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@H](NCCCCCCC1CC1)[C@H]1CC12CCC2	2256415032	DUYFLBMJKOGVOX-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N(C)CCCCC[C@@H]2C[C@@H]2C)cc1	2257291536	QJNVZSBTFAOKAU-JKSUJKDBSA-N	245.410	4.648	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CCCC2(CC2)C1	2257311089	KTBQETQRKIMWEL-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)Cc1ccc(C(C)C)cc1	2259438043	VTBFAKFXKJSJKD-RDJZCZTQSA-N	248.410	4.540	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@]12CCC[C@@H]1CC2	2260584040	SMBFYOKRXUCEBE-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1([C@H](N)C[C@]23CCC[C@@H]2CC3)CCC1	2260620527	PYWPXNZUIZNMBP-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC[C@@H]1C[C@@H]1CC	2298125528	JIZIMIPBUKKOCZ-QKPAOTATSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)C[C@@H]1CCC(CC)CC	2300677718	CLFFZAYSSZNZDB-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CCc1ccc2cc(Cl)ccc2n1	2300862760	HPHVPJYGUCMMDQ-UHFFFAOYSA-N	245.753	4.787	0	10	BJAE	
CCC(C)=CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N	2300897096	PQMBBOZQYASSMP-ILXRZTDVSA-N	237.431	4.523	0	10	BJAE	
CC(=CC[C@]1(N)CCC=C1C)CCCC(C)C	2300925114	ZJNVGXSQAOZWPR-MRXNPFEDSA-N	235.415	4.587	0	10	BJAE	
CC[C@H](C)[C@@](C)(N)CC=C(C)CCCC(C)C	2300925648	FAGWVHGIWJTTMN-HOTGVXAUSA-N	239.447	4.913	0	10	BJAE	
CC[C@@H]1CC[C@@H](N)[C@@H](CC2CCCCCC2)C1	2301247895	UWXBXJKPTIYTAG-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@@H]2CCC[C@H]3C[C@H]32)n1	2302258401	MQPJKQXGLSWZQM-IRCOFANPSA-N	247.407	4.560	0	10	BJAE	
CC[C@H](C(=O)C[C@H]1CC[C@@H]1C(C)(C)C)C(C)C	2303472809	CMIKQDLDYVKKIL-RDBSUJKOSA-N	238.415	4.700	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303475154	JYLQOPNTCHCOKZ-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303512660	WCTYBKMBSMWTTO-FRRDWIJNSA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H](C)c2cccs2)CC1	2303593719	ZXJWKAMWDCBSMF-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
CC(C)CCCCC[C@](O)(CC1CC1)C1CC1	2303738470	QSWPRYNGJUJUSS-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1c(C)coc1CC	2307895242	PNPVMMSKTRJPPR-LBPRGKRZSA-N	236.355	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCC[C@H]1C(C)C	2307903418	PEUBWZNKJZFZJM-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCC1(C)CC1)NCC	2307904374	SJUTYOVBJRFFFD-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(F)c1ccc(N)cc1	2307909160	JPNXJXONKFSYHN-IUODEOHRSA-N	237.362	4.670	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1	2309165143	FBTRRMUGQUHKIH-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313182393	FYEIATGONDVVPG-QEOTZNIISA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1[C@@H]2CCCCC[C@@H]12	2316501229	FZQCSYUPARAEPP-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@@](C)(N)C1CC=CC1)CCCC(C)C	2316504359	VIITUSZNXAANDW-QGZVFWFLSA-N	249.442	4.833	0	10	BJAE	
C1CCCC(C[C@@H]2CCN[C@@H]3CCCC[C@H]23)CC1	2316941209	YKDGEVHCLSXYNO-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H]1[C@@H](C)[C@H]1CC	2317978101	ZBEKLWCTEKWVHL-RKTXRCNFSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@@H]1C=CCCCC1	2318876955	KKBZQZLLCXWUCR-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@@]12CCC[C@@H]1CC2	2318880343	UUGNRMJDOWZSGG-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CCCC[C@@H]2C[C@H]21	2319445734	HWSLLZSRUDMLEY-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
CCCC1([C@@H](N)CC[C@H]2CC[C@H]2C2CC2)CCC1	2319735725	YZSDVRGFLUXCAI-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CNC2CC(C(C)(C)C)C2)CC1	2320233000	VZBJXJDOQUGDGO-QQFBHYJXSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@@]1(N)C=CCCC1(C)C	2320240020	JHSJEOSYKSKOOS-CPUCHLNUSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@H]1C)C[C@@H]1CCC(C)=C(C)C1	2320329798	VGSNGPBLALGSCS-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN2[C@H](C)CC(C)C[C@H]2C)CC1	2320387056	CVKYJZLATJSAQJ-BRWVUGGUSA-N	249.442	4.632	0	10	BJAE	
CCC1(CNC[C@H]2CCC(C)=C(C)C2)CCCC1	2320414179	WXBPSCCNNHTZIH-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC(C)CC12CC([C@@]3(N)CCCC(C)(C)C3)(C1)C2	2321583877	IVYZPEUJUVMRLZ-OFLPRAFFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CCC2(CNC3CC3)CCC2)C1	2321617999	ZZPIWZCEGQSUPQ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1C[C@H](C)CC(C)(C)C1	21013902	BDHSLVJXVOLBEC-FZMZJTMJSA-N	249.373	4.761	0	10	BJAE	
CCCC1CCC(Nc2ccc(C)c(F)c2)CC1	21508287	DEXZUIGUSSJOSM-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H](Nc1ccc(C)c(C)c1)c1cccs1	22149933	NDSIBJXFSGNTHW-CQSZACIVSA-N	245.391	4.928	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Nc1ccccc1	36697214	GQAZPNXXWATWII-VNQPRFMTSA-N	231.383	4.559	0	10	BJAE	
CSc1ccccc1N[C@@H](C)CCC(C)C	36957317	IPHQUPBXCSYCSL-LBPRGKRZSA-N	237.412	4.645	0	10	BJAE	
CCC(CC)CNc1ccc2sccc2c1	36975908	LVDISFASSIAIBY-UHFFFAOYSA-N	233.380	4.749	0	10	BJAE	
CCC[C@H](C)N[C@@H](c1ccccc1)C(CC)CC	37107767	OVRVBZQTUDWTDI-WMLDXEAASA-N	247.426	4.942	0	10	BJAE	
CCCNc1ccccc1SC1CCCC1	37123524	FRMXKIQHORKELG-UHFFFAOYSA-N	235.396	4.543	0	10	BJAE	
CCCC[C@H](CC)CO[C@@H](C)c1cccc(N)c1	40908497	CMOTVZLDIDPFFL-KBPBESRZSA-N	249.398	4.563	0	10	BJAE	
CCN[C@H](c1cccc2ccccc12)C(C)(C)C	54439386	RVUPDZITCZJVPI-MRXNPFEDSA-N	241.378	4.537	0	10	BJAE	
CCCC[C@@H](N[C@@H](C)CC1CC1)c1ccccc1	70101383	OKFKINKHYPPYFA-WMLDXEAASA-N	245.410	4.696	0	10	BJAE	
CC1(C)CCC(Nc2ccc3c(c2)CCC3)CC1	79619882	KWJMMWCSZCOMHA-UHFFFAOYSA-N	243.394	4.556	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@H](CC)C1	80445164	DJGZROQJJZONOJ-DZGCQCFKSA-N	231.383	4.630	0	10	BJAE	
CCCCCCC(C)(C)C[C@@H](C)NCCC	82816894	ZDHGFJRGAYCULZ-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCCCC(C)C)CC1	86944739	UIOOYSJBXSTMOD-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(C2CCCCC2)CC1	86950974	CRVHILUVCSVCCQ-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1CCCCC1(C)C	94274852	PJXATCXMQCBZRL-HUUCEWRRSA-N	239.447	4.760	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)C1(C)CCCC1	94900744	VHHVKSILIOTTED-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H]1CCCC[C@@H]1C	103976631	USXIYSQLBKVCIH-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)(C)C)C1=CCCC1	104434112	XLJSSEDQFIXVSQ-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC/C=C\[C@@H](C)Cc1ccc(C(C)C)cc1	107635388	AQECTWBFOBBLQD-LMVHVUTASA-N	216.368	4.955	0	10	BJAE	
CCC[C@@H]1CNc2ccc([C@H](C)CC)cc2C1	109608928	INQRVIKSDKKPSV-OLZOCXBDSA-N	231.383	4.584	0	10	BJAE	
Cc1ccc([C@H](O)C[C@@H](C)CC(C)(C)C)cc1C	109781472	KKDVWROZKGDXER-MLGOLLRUSA-N	248.410	4.799	0	10	BJAE	
Cc1ccc([C@H](O)CCC2CCCCC2)c(C)c1	109784828	WRFXQEJQMCMHJX-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CCCC[C@@H](CC)COc1ccc2[nH]ccc2c1	126505244	BWXVLGSFRCRXPB-CYBMUJFWSA-N	245.366	4.763	0	10	BJAE	
CC(C)C[C@H](C)N[C@H]1CC[C@H](C)c2ccccc21	136957640	CESNRDXOQKNMMB-ZQIUZPCESA-N	245.410	4.649	0	10	BJAE	
CCC(CC)C[C@H](NC)C1CCC(C)(C)CC1	148403890	RJPKOZSNESGTNK-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CCC1CCCCC1)NCC	159664853	XZWMHLKOHBKYGP-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C1CCCCCC1	161370034	JXQHMDDEVDHCNI-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1ccc(C)c(C)c1	165800754	XBRFPSGWSVDZDD-GOEBONIOSA-N	244.378	4.703	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)C2(CC)CCCC2)C1	228765354	OSWRPBGNFRHDLN-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c(-c2ccc(N)cc2Cl)c(C)c1	232182276	RXUXCDFFAODGMQ-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC1CCC([C@@H]2C[C@@H](C)Nc3ccccc32)CC1	232864611	XYBFJCFOOZDMOI-MFQJDOPTSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@@H](CC)Nc1cc(F)c(C)cc1F	233034375	WYERYEIQDLWOSC-LLVKDONJSA-N	241.325	4.654	0	10	BJAE	
CSc1ccccc1N[C@@H]1CC(C)(C)C[C@H]1C	235070894	UKSKOHUPRPOPSE-DGCLKSJQSA-N	249.423	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2c[nH]c3c(F)cccc23)C1	235444597	PFYINLCLOYYMGR-GHMZBOCLSA-N	231.314	4.601	0	10	BJAE	
CCCCCC[C@]1(N)C[C@@H](C)CC[C@H]1C(C)C	250825458	NIDOXEUCKIIKQZ-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CCc3ccccc3N2)C1	251612457	DBVQPAAKLDAEKU-IJEWVQPXSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H](C)c1csc([C@@H]2C[C@H]3CC[C@H]2C3)n1	252850517	HOPLPBMVOPCWBZ-NOOOWODRSA-N	235.396	4.560	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@H]1CC	300368197	PABBREWRFQLCMN-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
CCCN[C@@H](CCCC1CCCC1)CC(C)C	302241270	DWOJTSZCZLIPBY-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)c1cc(C)cc(C)c1	302412009	PYXCXHVCCXAAHO-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CCC1CCCC1)C(C)C	305899306	ZXHHOEYHQMACDU-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CNC[C@H](C)[C@@H](C)C[C@H](C)CC(C)C	306016391	XNLZYBMDIDMDIO-PMPSAXMXSA-N	241.463	4.577	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C(C(C)C)C(C)C	310188720	XFLDHKANXNUHPB-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@@H](CC)c1cccc(C)c1	310619980	AAOASCYELZSBCC-IRXDYDNUSA-N	247.426	4.513	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)c1ccccc1	311134009	XJAYDISVDNPRDK-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCCCCCC1(CNCC)CCC(C)CC1	317002814	LMWPIPMBIBOWSV-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCC1CCC(CN)([C@H](C)[C@@H](C)CC)CC1	319477735	ALYPDCRYAHKDRW-QRNKSROTSA-N	239.447	4.604	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC/C=C/c1ccccc1	324242849	GXQQYXLVUUTMMZ-BPLPYTOXSA-N	245.410	4.634	0	10	BJAE	
C[C@@H]1CCC[C@@H](C/C=C\CCNC(C)(C)C)C1	379899805	HFHSBQLPENIERE-JBZXTQMFSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)C[C@@H]1CCCCN1	380003102	YMTRGMYMVNQLCW-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@@H](C[C@@H](C)C1CCCCC1)NC	380036915	QRNUTRDHAJSZBP-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](N[C@H]1CC2CCC1CC2)C1CCCCCC1	381978331	ANOHRCVOWKVJHY-LYSZQXJVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](Nc1c(C)cccc1F)c1ccsc1	382111835	KYZSWVLLGBHLHX-CYBMUJFWSA-N	249.354	4.759	0	10	BJAE	
CCCC1(N[C@@H]2CCC23CCCCC3)CCCC1	382336408	IAKYMJBIUFCSJT-OAHLLOKOSA-N	249.442	4.802	0	10	BJAE	
CCN[C@@H](CCCCCCCC(C)C)C1CC1	383081388	AGBBPCYHRFESLL-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCCC(=O)C1	383100897	FIOFIWYYGOALCD-AWEZNQCLSA-N	224.388	4.742	0	10	BJAE	
CC(C)CCCCCc1ccc2c(c1)CCCN2	383415212	YERNOFIWRVKNAB-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CCc1cc(NCC2(C)CCCC2)ccc1C	383477013	AAFWQDLVARYHMH-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CC(C)C(C(=O)C[C@H]1CCC[C@H](C)C1)C(C)C	383545477	VQQKZYCWLBYUGM-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
Clc1ccc(NCCC2=CCCCC2)cc1	385062558	URRNSUBUUIEZAG-UHFFFAOYSA-N	235.758	4.642	0	10	BJAE	
C1CCCC([C@@H]2NCC23CCCCCC3)CCC1	385661624	CGMGPOQOHZZWOC-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
Cc1cccc([C@@H](O)CC2CCC(C)CC2)c1C	386866124	VFPCDRLQQDMCGJ-QOJXUVEWSA-N	246.394	4.553	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@@H]1C[C@@H]1CC	387686566	UEEVYFNERSFAJW-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNc2cc(C)ccc2C)C1	394554407	HETYXVWJZCFRFY-HZPDHXFCSA-N	245.410	4.932	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C1=CCCCCCC1	395552231	ZZEINIXYGIXAQS-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H](C[C@@H](N)CC1CCCCCC1)C1CCC1	398735309	UNEUNGSBAGLLOC-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@H](C)C(C)(C)C	399024245	GQQXDFKEOJBAPM-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@]1(CC2=CCCC2)CC[C@@H](CC)C1	401045228	AQEIJKDOPYJGAI-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@@H](C)C(C)(C)C	405733103	MNVAMNFBUDQJFN-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)C[C@@H](C)CC	688376215	YDBOBPLOQIPFKL-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1ccsc1	691076556	NORSTOCFBCJGFM-DGCLKSJQSA-N	223.385	4.519	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCCCC[C@H]2C)c1	691085290	YBEOAMCZENLAPS-DOMZBBRYSA-N	235.346	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCCC2(CC2)C1	695693134	YSAMBFHPEGDLLF-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CC(C)=CCC[C@@]1(CNC2CC2)CCCC[C@@H]1C	698055312	KIEJSYNNKWSILS-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC)[C@@]1(C)CC[C@@H](C)C1(C)C	699069620	NMFUUSNEJBJGNP-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](NCC)C(C)(C)CC	701158830	YGDSMLULDJXKFL-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@@]1(C)CC1(C)C	702151555	XIFMSCOGGMSGQN-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C)(C)C1N[C@H]1CCCC2(CC2)C1	703890227	BOLHAXOOILCOGX-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@@H]1CCCC12CC2	707152131	XGEHGXXLWFKKMG-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)[C@]23CCCC[C@H]2C3)c1	709115098	RPQQIWDWCJGDJJ-HLLBOEOZSA-N	243.394	4.684	0	10	BJAE	
Cc1cccc(C(=O)[C@@H](C)CC(C)(C)C)c1C	709244515	AACHKROQTCOLAP-LBPRGKRZSA-N	232.367	4.558	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CCCc1ccccc1	709269945	BPURHXHEANYEIN-CQSZACIVSA-N	246.394	4.651	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@@H]1CCCC1(C)C	713134239	PLWUPZRCWRBIIV-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CCOc1ccc([C@H](C)CC)cc1	713739968	SJJDQWNXFWUGKL-LMVHVUTASA-N	230.351	4.711	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CCC(C)=C(C)C	718603921	XEQYEHSWQZVSJK-HUUCEWRRSA-N	226.404	4.700	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)[C@H]1CCCCC1(C)C	718604882	YZOTUJZQBFDPPD-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCCC(C)(F)F)NCC	718721965	KKVLOHYIJOQNHZ-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CNc1ccc(-c2ccccc2C(C)C)cc1	723931411	YRKCRQFWFNYUBT-UHFFFAOYSA-N	225.335	4.519	0	10	BJAE	
CC[C@H](N[C@@H](C1CCCC1)C1CC1)C1CCCC1	723963603	IJMUFBRATYHQQW-IRXDYDNUSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@H](N)[C@@]12CCCC[C@H]1C2)C1CCCCC1	822063523	MQKMHVAEXMERML-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCCCCCN1CCC[C@H](C(C)(C)C)CC1	1167406496	QYNKJZMZHKSXFU-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
C(=C\c1ccccc1)\CCSc1cccs1	1640858004	QBOQTYDCBLEPGG-WTKPLQERSA-N	246.400	4.944	0	10	BJAE	
Cc1ccc(SCC2CCCC2)c(C)c1	1643472812	BZIQVADIFZVBEW-UHFFFAOYSA-N	220.381	4.586	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCC[C@@H](CC)CC1	1651486608	HOHXEBWWIXDXHD-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCC(C)=CCN(Cc1ccccc1)C(C)(C)C	1887952774	FREKJYNMMJLVET-UHFFFAOYSA-N	245.410	4.643	0	10	BJAE	
C/C=C/CCCc1ccc(Cl)c(C)c1	1899500348	OEZNWHHIVUZMIU-ONEGZZNKSA-N	208.732	4.547	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1C[C@H]1C1CCCCCC1	1910680693	MXZNTVLOSREUFX-JKSUJKDBSA-N	231.383	4.636	0	10	BJAE	
C=CC=CCCNc1cc(Cl)ccc1Cl	1911780053	ADWOVMMWPRAVIS-UHFFFAOYSA-N	242.149	4.538	0	10	BJAE	
CCCNCC[C@@H](C)CCC=Cc1ccccc1	1911934144	AYVPYMVONAAYLY-INIZCTEOSA-N	245.410	4.506	0	10	BJAE	
CCCCCC[C@H](N)C1CC2(CCCCC2)C1	1912629280	BNFGPBOVPYECRT-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCCCC[C@@H]1O)C1CC1	1913386620	OGPSOAKWXBYFRG-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCCCCC1CC1	1920200199	CGGQZOJMHBOYAG-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1CC(CCC)C1	1921276251	RBJOFBFFSWGYGH-NFOMZHRRSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1CCC[C@@H](NC2C[C@H]3CCC[C@H](C2)C3)CC1	1923480079	JXTREHRHUZZQEB-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CCC[C@](C)(CO)C1CCCCC1	1923913679	WDOHZEFXJUEZEB-MRXNPFEDSA-N	240.431	4.782	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@@H](C)C1CCCC1	1924108966	UNKBOWLFPHXLFX-DOTOQJQBSA-N	249.442	4.703	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)[C@@H](C)C1CCCCC1	1924122174	QHZSZDRPPOPBLK-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCCCCCC(=O)[C@H](C)CCC(C)C	1928720688	GUOITAZXWRZOJY-CYBMUJFWSA-N	212.377	4.598	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)[C@H](C)CC(C)C	1939046584	LSQOXYREKNMPQB-QLFBSQMISA-N	227.436	4.616	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1c(C)cccc1Cl	1939408224	RZNFOIRJFCDZTQ-LBPRGKRZSA-N	237.774	4.639	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)CCC(C)(C)C	1940869082	YQGRWMOMMHMZHG-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(F)c1ccc(N)cc1	1940969156	XIFPSWUYTDJCOW-OAHLLOKOSA-N	237.362	4.526	0	10	BJAE	
CC(=CCCCCC1CC1)c1ccc(N)cc1	1941584873	QWRBDBCUOBVYKA-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C1(C)CC(C)(C)C1	1941990278	XCUIEIYEIAOHBB-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CC(C)(C)C(C)C	1949006450	KNJJZHNPSDJQPY-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CCC(C)(C)C2CC2)CC1	1949032166	KCFXPAVZDUKCLO-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC1CCC(CC[C@H](N)CC2CCCC2)CC1	1949871884	VBUSSCCJIBYXLM-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](O)C2CCCCCC2)CC1	1950910828	JTZPQXSBZRUABQ-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)[C@H](NC)[C@H]1CCCC(C)(C)CC1	1950917203	DOAYQUPAYLKYRK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)CNC[C@@H]1CCCC(C)(C)C1	1964072392	CROOFVUMYMELMT-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](N[C@H]1C[C@@H]2CCCC[C@@H]2C1)C1CCCCC1	1967710697	AXOKSRQAAAXMFO-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](NC1C[C@@H]2CCCC[C@H]2C1)C1CCCC1	1967721512	CNIANBZXSVWNBH-ZOBUZTSGSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccc(C3(C)CC3)cc2)C1	1967842353	HVEAJIJOLNHRQF-CJNGLKHVSA-N	243.394	4.729	0	10	BJAE	
CCCCC1CC(Nc2ccc(F)c(C)c2)C1	1968591995	QHDCAMPMAFNUTC-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCCN(Cc1csc2ccccc12)C(C)C	1968698125	GNTKDDJWPMRVNN-UHFFFAOYSA-N	247.407	4.522	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@H]1N[C@H](C)c1ccccc1	1969249967	PCUYZKGRVFRORE-LZWOXQAQSA-N	245.410	4.552	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc(CC)c(C)c1	1972025375	ZVRZKOVACGLSPQ-NVXWUHKLSA-N	245.410	4.938	0	10	BJAE	
CCC/C=C/CN[C@H](CCC)c1cccs1	1975485164	OJXOEXRMPNWGPU-KTRBRXNASA-N	237.412	4.535	0	10	BJAE	
CCc1cc(CC2CC(=C3CCC3)C2)cs1	1985534493	JXWOTYIYLSYUNF-UHFFFAOYSA-N	232.392	4.744	0	10	BJAE	
Fc1ccc(Cl)c(CC2CC(=C3CC3)C2)c1	1985536231	GBLFBMDCTZVOCU-UHFFFAOYSA-N	236.717	4.522	0	10	BJAE	
CCCCC[C@@](C)(O)CC1(CCC)CCC1	1988463486	GNRCNBVAOCAGPK-CQSZACIVSA-N	226.404	4.678	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1cc(C)c(C)s1	1989977484	VGVNDBHXHXNLKF-ZDUSSCGKSA-N	239.428	4.581	0	10	BJAE	
CCC(CC)N(C)[C@H](C)c1cccc(Cl)c1	1990813736	JJEBGRXAFZKJNI-LLVKDONJSA-N	239.790	4.521	0	10	BJAE	
CC[C@@H](C(=O)c1ccc(Cl)c(C)c1)C(C)C	1993192952	BDQJMAIJNUBARH-GFCCVEGCSA-N	238.758	4.513	0	10	BJAE	
CCC1CCC(CC(=O)CC=C(C)C)CC1	1993587026	IEEGAYRUZRITCH-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCC1CCC(NC2(C)CCCCCC2)CC1	1995827804	YLXYPCYQSJYDFP-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
C[C@H](C[C@H](O)C[C@H]1CC[C@@H](C)C1)CC(C)(C)C	1996260076	MGPLJTAUDVUADN-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](N[C@H](C)C(C)C)C1CCC(C)(C)CC1	1996592194	AQBKFODWKLZYLW-UKRRQHHQSA-N	239.447	4.616	0	10	BJAE	
Clc1ccc(NC[C@H]2CCC=CCCC2)cc1	1999996352	NXTAZRAMXFMYNA-ZDUSSCGKSA-N	249.785	4.888	0	10	BJAE	
CC[C@](N)(C1CCCC1)[C@@H]1CCCC(C)(C)C1	2000058632	OPXQRHIRUNNUGC-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)c2ccccc2Cl)C1	2000190235	KRVPJNPWWZIISN-CMPLNLGQSA-N	248.753	4.515	0	10	BJAE	
CCCC1(C(=O)c2ccc(SC)cc2)CCC1	2000192807	AMOQPWBAQNQZDD-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@H]1CC=CCC1	2000504650	KBVXDAFOFABAHN-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](CC)(CO)CC1(F)CCCCC1	2001377336	VAAXUHZTZWBWAR-CQSZACIVSA-N	244.394	4.628	0	10	BJAE	
Cc1ccc(C(=O)[C@@]2(C)C=CCCC2)cc1Cl	2003333420	CRUAERSDQNNIOQ-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
O=C(CC[C@@H]1CC=CCC1)c1ccc(Cl)cc1	2003673803	ZEHHSWOHCAWGRI-GFCCVEGCSA-N	248.753	4.659	0	10	BJAE	
CCCC(CCC)CNc1cccc(C)c1C	2004707114	UEDBMDCINYPFNC-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CN[C@H](CC=C(C)C)C1(C)CCCCCCC1	2004936659	CQGJLFJZWIWRHT-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)C=C1CCCCC1	2007920721	LLBYDKSFCRGKPS-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
C/C=C/C[C@@]1(CNC(C)(C)C)CC[C@H](CC)C1	2008071173	BXBOPGPEFOEADG-AFDQWNBZSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCC(C)(C)CCC1=O	2009405048	UQQQTBOLXDPIAL-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCC[C@@H](CCC)CC1	2009572667	OJNSYTXVAOCCHO-BYQDXSGLSA-N	237.431	4.811	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@@H](C)CC(C)C	2011183787	ODBOIYOOTGNMJH-HNNXBMFYSA-N	241.463	4.817	0	10	BJAE	
CC[C@](CCCCCC1CC1)(CNC)C(C)C	2012414428	VWINUCAAGXSDEH-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@@](CC)(CCCC(C)(C)C)C(C)C	2012414699	YMLFAQSCULXROL-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCC[C@@H](O)C1CCC2(CCCCCC2)CC1	2013204578	KXRWWCQYOZIYAC-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)(CCC(C(C)C)C(C)C)C(=O)O	2015335381	SIJMDRXKXCLYOS-UHFFFAOYSA-N	242.403	4.586	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC1(CCC)CCC1	2015643506	CUPAYWCBFDNKCG-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C1(CC(C)C)CC1	2015748239	ABXAHNCZKCHPHL-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@](C)(O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2016150250	RLZDOCWUNCTBDM-JJXSEGSLSA-N	238.415	4.556	0	10	BJAE	
c1cc2cc(N[C@@H]3CC[C@H]3C3CC3)ccc2s1	2017046853	FUENFLBADUQITQ-UONOGXRCSA-N	243.375	4.502	0	10	BJAE	
CCCCC[C@H](C[C@H]1CC[C@H](C)CC1)NCC	2017720851	IKCANUWUNDNRJL-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCNCC(C)(C)CC1CCC(CC)CC1	2017721967	CYWILIWMXSOZSN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(N)C[C@H]1CC[C@H](CCC)CC1	2017728541	MTJNJWVVLFHDAR-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CC1(CCC)CC1	2018988629	WQUQNUJCTVAJNL-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](O)C1CCCCCCC1	2022447039	BRMPYXRTPLWZHK-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CNC(C)C)C[C@H]1CCCC(C)(C)C1	2024093898	FXOBVNVYFWDNPP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@H]1CCCC(C)(C)C1	2024102936	XGGDUQFYGWRDCV-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H]1CCCC(C)(C)C1	2024129121	SBPXNIDKSAQHRC-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCCC(CCC)CNCCC1CC(CC)C1	2025376627	PBFNAJIMBVHYGY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC1(C)CCCCC1)[C@H](N)c1ccccc1	2027315012	ANLQPWWPSFGYON-HOCLYGCPSA-N	245.410	4.683	0	10	BJAE	
CC[C@](O)(Cc1ccccc1C(C)C)C(C)(C)C	2027459832	CFIRKTOKIOBMKU-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
C=CC=CCC[C@H](NC)c1ccccc1C(C)C	2027518373	QLXXGCAAUQPEQT-KRWDZBQOSA-N	243.394	4.593	0	10	BJAE	
CCC(C)(C)[C@H]1Nc2cc(C(C)(C)C)ccc2O1	2027867385	QZZRSXBEABMVES-AWEZNQCLSA-N	247.382	4.551	0	10	BJAE	
OC1(C[C@@H]2CC=CCC2)CCC2(CCCC2)CC1	2028874499	SEOYQUSHAMWAMQ-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c([C@](C)(O)[C@@H](C)CCC(C)C)c1	2029838884	VGELOUCHIMNNCQ-DOTOQJQBSA-N	248.410	4.583	0	10	BJAE	
CC(C)CC[C@H](C)c1ccc2c(c1)CC[C@H](C)N2	2029839482	ZOSIXXKSXKZGSD-KBPBESRZSA-N	245.410	4.973	0	10	BJAE	
CC1(CCN[C@@H]2CC[C@H]3CCCC[C@H]32)CCCC1	2034267394	ZNELAARNIUAUSU-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1ccccc1C1CC1	2037203398	GSEVNODCGVHTDK-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
N[C@]1(C[C@H]2C=CCCCC2)CCCCC12CCC2	2037272469	XXSWQTWQZHICJK-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@H]2CCC3(CCCC3)C2)C1	2037586187	QGXXEGQIEGQVIG-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CCC[C@H](C)CC2)c1C	2039374279	KSHYMHJSRXWOLI-SWLSCSKDSA-N	244.378	4.703	0	10	BJAE	
CN[C@H](CC1=CCCC1)[C@@H]1CCCC(C)(C)CC1	2039383998	GCAHJKCGTAGOCF-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCC1CCCC1)CC12CCC(CC1)C2	2039414354	ARUWBTJPTRGIMV-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC1CC1)CC12CCC(CC1)C2	2039422660	WKRQSCTWKASSSB-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC2(CCC2)C1)C1CCCCC1	2041289023	FICGBOSIEPUEHX-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
C[C@H](CC1CC(C(C)(C)C)C1)c1cccc(N)c1	2043003617	DTCHLIQVSXQQHI-DNOWBOINSA-N	245.410	4.835	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C23CCC(CC2)CC3)C1	2045457873	OJJGGHZUNFLNCG-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C[C@@H](C)c1ccccc1	2045556285	VQDLZDGOHPQBMI-CQSZACIVSA-N	246.394	4.822	0	10	BJAE	
CCCC1(CN[C@@H]2C[C@@H]3CCCCCC[C@H]32)CC1	2047435474	WPXYQVLEMOYGSY-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@@H]1CCC12CCC2	2047939615	OWJMSRJPHWUXQB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC3(CC3)C2)C1	2049953843	ICYUFHPNJQSCCY-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@H](CC)C[C@@H](NCCC)C1	2055030849	KNABQTWHAAVLBM-GVDBMIGSSA-N	249.442	4.703	0	10	BJAE	
CC1=CCCC[C@H]1N[C@@H]1CCCC12CCCCC2	2055671177	FLYNHZSPHDNOMM-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CCC1(CC2(CNC)CCC3(CC3)CC2)CCC1	2056554387	WSLNOJYETVQRLH-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC1CC(CC(=O)[C@@H]2CCCCC23CCC3)C1	2056666799	WJPNQZYAKAELIM-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@H](O)c1ccc2ccccc2c1	2059220718	DMXJYUAMUKQEQW-YATRRXNKSA-N	240.346	4.620	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H]1CCC12CCC2	2059221432	MZUHFQXUDMSZBU-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1[C@H]2CCCC[C@H]12	2059259884	TWSDQROMZFHXBA-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)[C@H](C)C1CCC1	2060920821	HHWBOZYPMCTTFQ-CPUCHLNUSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@@H]1C[C@@H](CC)CC[C@H]1CNC(C)C	2061562271	BEAFISXOUGISAH-BBWFWOEESA-N	249.442	4.548	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@@H](C)C1CCCCC1	2061563226	MSTQRVCQBLXSHT-DOTOQJQBSA-N	249.442	4.692	0	10	BJAE	
CCCC1CCC(NCC[C@@]23CCC[C@@H]2C3)CC1	2061570967	HENSPTFROGYVMO-MNAZLIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC(C)=C1C)c1occc1C	2063681942	VASSTIIDOODKOI-CABCVRRESA-N	247.382	4.518	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C12CCCC1CCC2	2063821984	NEMYKQMCJXHNSO-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC(C(=O)C23CCCC2CCC3)C[C@H](C)C1	2063852515	PDWJBZCJFMXEPU-MZPXATCKSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@]1(CC23CCC(CC2)CC3)CCCN1	2065308264	NZUNUOORTFCUHC-BDVYOWHSSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)C2(C)CCCC2)cc1	2067507402	BGOULBULFIFDMS-LSDHHAIUSA-N	245.410	4.614	0	10	BJAE	
CC(C)(C)CC1CC(N[C@@H]2CCCCC23CC3)C1	2067984839	NLNUXKYEYFRALT-YMAMQOFZSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@]1(CNC1CC1)CC1CCCCC1	2068231533	YVMPXJUQXJXEJO-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068766017	CECGSPMSAYJNTG-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C[C@@H](C)[C@@H](O)c1ccccc1)C(C)C	2068817598	MNYHQFFYOQDDBN-RHSMWYFYSA-N	248.410	4.674	0	10	BJAE	
CCN[C@@H](CC[C@H](C)C(C)C)c1cccc(C)c1	2069017988	XIBPUVQFOXYSKB-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@H]1CC12CCC2	2069172173	QPWQOIRABNVXAV-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CCCC1(Cc2cccc3c2CCCN3)CCC1	2069341298	DGDVNKWAMGFBCR-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC(C)CC1(C(=O)CC2[C@@H]3CCCCC[C@@H]23)CC1	2069504449	ATTVDJUBNYAFOB-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(C[C@@H]2CCc3ccccc3N2)CCC1	2071944881	BCRQZNMLSDMIFI-HNNXBMFYSA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)c1ccc(C(C)(C)C)cc1	2072091875	ACHBQHYQSIDETQ-TZMCWYRMSA-N	244.378	4.603	0	10	BJAE	
CCCC1CCC(C=C2CCNC(C)(C)C2)CC1	2072816236	SPLOBKOAHQBKFQ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2072873456	PDCLFDXINSEROR-JHJNDJDLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C[C@H]2CNC(C)(C)C2)CC1	2073112226	OANFTLPAACIKGS-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC3(CCCCC3)C2)CC1	2074630144	WKVSMYQGQJVKNR-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)C12CCCC1CCC2	2074651967	UJFBXIJPHZWGBG-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@@H]1CCCC12CCC2	2074885961	PUMNQEILWXYHOS-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CC(C)CC[C@H](C)N1CC[C@@H](C)c2ccccc21	2075234287	VWMZKLMANQPFTL-CABCVRRESA-N	245.410	4.825	0	10	BJAE	
CCCCN(CC[C@@]12CCC[C@@H]1C2)C1CCCC1	2076584752	IOBZMZVJCJZCBC-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CCCCN(CC[C@]12CCC[C@@H]1C2)C1CCCC1	2076584756	IOBZMZVJCJZCBC-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1C[C@H]1C1CCCC1	2079433749	BQMYOCCODOUNIW-GGACTWEQSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H]1C[C@@H]1C1CCCCCC1	2079526499	DIKHFSPQLWZCTH-ZACQAIPSSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H]1C1CCCCC1	2079529481	LWKIMLCOZCBCFC-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
O[C@]1(C=C2CCC2)CCCC[C@@H]1C1CCCCC1	2080097488	FMKXEUCVFKCFPM-SJORKVTESA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)NC[C@]1([C@H]2C=CCC2)CCCC1(C)C	2081682007	LMOGVOXJLQNLQE-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(C)[C@H]2CC[C@@H](N)C2)CC1	2082163293	YAPNOHKURYEVOU-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCCC(C)(C)C1)c1ccco1	2082981559	DYYIBFKMZRGJMZ-KBPBESRZSA-N	249.398	4.537	0	10	BJAE	
Cc1cc(Cl)cc(OCC2(C)CCCC2)c1	2212534868	DWTVVFOABOYVKX-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCc1cc(Cl)ccc1NC1CC(CC)C1	2212644241	MCIKFAKGLFTCED-UHFFFAOYSA-N	237.774	4.503	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H](C)C1CCC1	2212645378	UMCYULUJGYVWDO-SNVBAGLBSA-N	237.774	4.503	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2213284714	KOHDDIGCWAPRSM-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](N)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213289661	IWVJPRFTJJZRIB-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213291411	CCVNKOCBQIJWNW-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](CCCCC1CC1)NC	2214573633	OKONODJNODQOOW-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C[C@H](N)CC1(C)CC(C)(C)C1)C(C)(C)C	2215384832	GSLBEHBHOSZJJZ-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
c1cc(NC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cs1	2216746438	DVCVTAPTWTWQEX-MGPQQGTHSA-N	249.423	4.767	0	10	BJAE	
CCCC[C@]1(CNC2CCC2)CCCC[C@@H]1C	2217127486	WSBSHNLCVXOULM-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(CCC1CCCCC1)CNC1CCC1	2217133369	AFQBAKSAUFUWRO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CNC1CCC1)C[C@H](C)CC(C)(C)C	2217152049	AWHWHYYPBLZDJD-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1NC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218359785	UXBDRDBNNZPHBC-ZSHCYNCHSA-N	243.394	4.623	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)c1occc1C	2218719240	WTVWNRSNUYISAU-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)c1cc(C)co1	2220028405	RUFVJCSKWXHWNY-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC(C)c1cc(N[C@@H]2CCC[C@H](C)CC2)ccn1	2220884711	FJSCTFJGGVWTRN-UONOGXRCSA-N	246.398	4.586	0	10	BJAE	
CC(C)C1(C[C@@H](N)C2(C)CC3(CCC3)C2)CCC1	2221005687	IVCWDHOHTBUMOA-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@H](N)CC2(C)CC3(CCC3)C2)C1	2221071423	JTNRRZKBDLLFFP-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)[C@H]2C[C@H]2C(C)(C)C)CC2(CCC2)C1	2221074846	AEVHBDBCRDPKMP-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H](C)C2(C)CCCC2)CC1	2221641443	VNUIQTKGEQOION-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1	2221643076	LYQMTHLZNXJNHL-DLTWYDFYSA-N	248.410	4.764	0	10	BJAE	
N[C@@H](CCCCCCCCC1CC1)c1ccco1	2223131189	VXLQTTPFESFZQE-HNNXBMFYSA-N	249.398	4.810	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@@]12CCC[C@@H]1C2	2223159239	NAEDJUAPLIVEIR-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CCCCC[C@@]1(CN[C@H](C)CC)C[C@H]2C=C[C@H]1C2	2223561077	SAWRTTYXRHPCHO-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)c1ccsc1C	2244779503	DGMHOPAROXBOEF-GXTWGEPZSA-N	239.428	4.533	0	10	BJAE	
C1=C(Cc2ccc3ccsc3c2)CCCC1	2246171959	LSXPHYCXAXUHPM-UHFFFAOYSA-N	228.360	4.944	0	10	BJAE	
CC(C)NCC(C)(C)CC[C@@H]1CCC[C@@H](C)C1	2246663992	HHCBQCHUVNCDQX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCN(C)CCCC[C@H]1C[C@H]1C	2247156945	BALMANMHAIIJJO-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](O)C(C)(C)C(C)(C)C	2247167424	XCPUZZZCHVIWOC-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
Cc1cccc(C)c1OCCCC[C@@H]1C[C@@H]1C	2247175065	YLFWRWGZDHZVGY-LSDHHAIUSA-N	232.367	4.509	0	10	BJAE	
CCCC[C@@]1(CN[C@H](C)CC)CCC12CCC2	2247326000	IAOVYXVPBIHOAC-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
O[C@@H](CC1=CCCCC1)C1CCCCCCC1	2247491330	YJZCZJITNBXMQH-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)Oc1cccc(CC2=CCCCC2)c1	2247502866	TWUPVWGFRNAFGG-UHFFFAOYSA-N	230.351	4.517	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CC1=CCCCC1)NC	2247531914	PYSVGIYYBBZARJ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](N)CCCCC[C@H]1C[C@H]1C	2248879898	PCKSWKNLHAHQEY-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1CCC(CC)CC1	2250357447	IFXCVCXXTUBUBC-QDIHITRGSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC[C@H]1CCCC12CC2	2250361277	LDHFTFVRHWUVLJ-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](CC)C1CCCCC1	2250390646	SOXDMNAUKCBTKO-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@H](N)C(C)(C)C	2250478366	IEXXBIQBVMBUDV-GJZGRUSLSA-N	241.463	4.993	0	10	BJAE	
CCC[C@@H](CCC1CC(CC(C)(C)C)C1)NC	2251608119	MMDKITYBDIBGQK-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC1CC(C)(C[C@@H](N)c2ccc(C(C)C)cc2)C1	2253563815	VQXOMVUGOUIUPK-BLDCVEFLSA-N	245.410	4.636	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@H]1CCCCC12CC2	2253810488	DXQAGVQHLGQORL-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@@H]1CCCCC12CC2	2253810490	DXQAGVQHLGQORL-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C[C@@H]1CCCCC12CC2	2253821943	RQSIFVDWJJCUGC-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCCN1CC[C@@H]1CCCCC12CC2	2253862791	JVBZRJAMUHMLTI-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CCC1([C@@H](N)CC[C@@H]2CCCCC23CC3)CCC1	2253875477	QZRMCMLKIBMHNH-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C(=O)CC1CC2(CCCC2)C1)C1CCCC1	2254121631	UMYOUVTYCUVNNA-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)CC1CC2(CCCC2)C1	2254125729	QJUWEFCHNBDRCI-ZBFHGGJFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@]1(C)C=CCC1	2255063718	MPSFMGRQKGIPLC-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC1CCC(CC(=O)C[C@@H]2CCCC23CC3)CC1	2255324848	BBRUNSCAKRJILG-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)C=CCC(C)(C)C1	2257305484	VAHICZSXVDQYAX-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C1CC(=C2CC2)C1	2257305506	FPBGCIXSRKDHCU-JSGCOSHPSA-N	246.394	4.662	0	10	BJAE	
Cc1ccncc1OCC[C@@H](C)CCCC(C)C	2259681447	MSOCLMNLPMUDMD-AWEZNQCLSA-N	249.398	4.621	0	10	BJAE	
CCN(C[C@]12CCCC[C@H]1CC2)C1CCCCC1	2260564866	IRWHMFLBLFIMBR-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CC1(NC[C@]23CCCC[C@H]2CC3)CCCCCC1	2260597047	SKJQLNNVWAMGLC-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]23CCCC[C@H]2CC3)[C@@H]1N	2260615775	ZJITZHLTBIPBQE-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@]1(C[C@]23CCCC[C@@H]2CC3)CCCN1	2260677128	CUPFQCJPCLRJCL-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)NCc1c(C)c(C)c(C)c(C)c1C	2263156175	XHBOMZCWWGWIRS-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)[C@@H](C)CC1CCC1	2298929958	FQVQCFOIHYTSIC-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](O)C1CCC(C)(C)CC1	2300690514	JUTZJBNQZQZDPO-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H]1CCCC(C)(C)C1	2300871662	HVAAIISKZXXPPX-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CCC[C@H]1C	2300879403	FYTMHJZWMMCTTC-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@@H](C)[C@H](C)CC1CCCCCC1	2301237134	TUUBMMOUSUGDAT-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCC1(C[C@@H](O)CCC2=CCCCC2)CC1	2301941105	GWEKWJOFLFFWPC-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCc1ccc(F)cc1C(F)(F)F	2302231456	SMWUAPLOYQFFQW-UHFFFAOYSA-N	248.263	4.823	0	10	BJAE	
CCc1cscc1NC[C@@H]1[C@H]2CCCCC[C@H]21	2302891727	FJFRLHXPFLMSDN-WDNDVIMCSA-N	249.423	4.549	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CC[C@@H]1C(C)(C)C)C(C)(C)C	2303444450	JXIHXGJSHBIXCR-UPJWGTAASA-N	238.415	4.700	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)CC(C)(C)C	2303594008	BIJIXVYOHUNHAR-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCC[C@H]1CCC(C)(C)C1)CC(C)C	2304439598	LLPFCFOMUFWYSV-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCOc1ccc2ccccc2c1Cl	2307638837	PNJJLOSOXWVKBP-UHFFFAOYSA-N	246.737	4.838	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CC(C)=C[C@@H](C)C1	2307839108	VVYPXTIUHKEXIN-SNPRPXQTSA-N	236.399	4.764	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2C[C@H]2C2CCC2)CC1	2312523420	GLWUFLVHJXLPSC-YQQAZPJKSA-N	246.394	4.518	0	10	BJAE	
CC(=CC[C@H](N)[C@@]12CCC[C@H]1C2)CCCC(C)C	2316501398	DWUWMHUTCNOCKN-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
CC(=CC=C1C[C@@H]2CC[C@H](C1)N2)CCCC(C)C	2316535818	JSPNSTNXFVWEEZ-CALCHBBNSA-N	247.426	4.600	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1cc2cc(C)ccc2o1	2316540419	AJYXTMFBZVZVOU-CQSZACIVSA-N	244.334	4.521	0	10	BJAE	
CC[C@@H]1CNCCC1=CC=C(C)CCCC(C)C	2316566081	UAQHADBHUGVKIV-MRXNPFEDSA-N	249.442	4.705	0	10	BJAE	
Cc1ccc(C)c(NCC[C@@H]2CC[C@H]2C2CC2)c1	2319751764	VCRSOEYGEWJHQG-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@@H]2CCCCCC2(C)C)CC1	2320237610	LRLNQABQSIDPRK-JKSUJKDBSA-N	249.442	4.824	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@H]2CC(C)C)CC1	2320406071	JXTCZBOASOEOBP-BZUAXINKSA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CC2CC(C)(C)C2)CC1	2320412769	POYYYDQAYOLHEG-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCC=CCCC2)CC1	2320412951	QHQHKCPKYFQATB-SJORKVTESA-N	247.426	4.731	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCCC3(CC3)C2)c1	2321090781	CLFWTYRWHSQRRT-CQSZACIVSA-N	247.357	4.523	0	10	BJAE	
CC1(C)CC[C@@H](CCNC2CCC3(CC2)CC3)C1	2321604374	AWCFSTVFJBSLOJ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1	2321607642	HIONKLHIRACGHK-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@]23CCC[C@H]2CC3)C1	2321623159	VTVVEAREZWUEBL-GRDNDAEWSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CCCCCC2=O)c1	2327674280	ZOKXRYUHXUDXEY-HNNXBMFYSA-N	244.378	4.735	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCC[C@@H]1C)c1ccccc1	20002377	YLCKYIRNZPVGIT-USXIJHARSA-N	245.410	4.696	0	10	BJAE	
C[C@H](Nc1ccc2sccc2c1)c1ccco1	36976221	CIMDRAXQZZKBKA-JTQLQIEISA-N	243.331	4.667	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)c1ccccc1	37763724	SVXQFTJNGMJGGS-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)c1ccc(C)cc1	69377072	YTTVPFQELBPPQG-HOCLYGCPSA-N	233.399	4.614	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1C(=O)CC(C)(C)C	71561148	KOVOUNVUTPTLHK-UHFFFAOYSA-N	246.394	4.911	0	10	BJAE	
CCC1CCC(N[C@H]2CCC[C@@H](C)CC2)CC1	86889267	LYLZMFOTWAOZHB-CIDNJEQPSA-N	237.431	4.514	0	10	BJAE	
CCCCCC(C)(C)CNc1cc(N)ccc1C	94983568	FAFCEMGHLSTWON-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
Cc1cc(C)cc(OCc2cccc(Cl)c2)c1	95082136	QEBGUTUSYPCVNJ-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC[C@]1(c2ccccc2)[C@@H](C)[C@@H]1c1ccccc1	102913826	IUDJXXIBCCBBLD-BMGDILEWSA-N	236.358	4.768	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(C)cc1OC	103983631	OJSSNYQINQIALI-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CCCCCC[C@@H](O)c1cccc2ccccc12	112887198	JXZUUBYIZQFDHX-QGZVFWFLSA-N	242.362	4.844	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1cccc(C)c1C	125123712	IGXWTJYDPMHOOI-WBVHZDCISA-N	247.426	4.910	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H](CC)CCCC	125367913	LZEBNSOKLCWTHB-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
O=C(CC1CCCC1)c1ccc(C2CCC2)cc1	125604987	SUHRQXKCELYNQE-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C(CC)CC	126808856	QHUNDQOLFWZUQS-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCNCc1ccc(C(C)C)cc1	134282876	TYONJJAQXYAPDC-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCC(C)(C)C[C@@H]1C	155826426	FVTNZUWVEBUVMN-JSGCOSHPSA-N	249.373	4.761	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1cc2ccccc2s1	162496769	MXEZDSXVNFUPFM-AAEUAGOBSA-N	247.407	4.598	0	10	BJAE	
CC(C)CCN(CCC(C)C)[C@H](C)CC(C)C	165219638	KZRHWSYHVZMGJM-MRXNPFEDSA-N	241.463	4.815	0	10	BJAE	
CCCCCC[C@H](C)[C@H](CCC)NCCC	212755713	WBHXPZLOGNNDFG-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CC(C)[C@H]1CCCC[C@H]1NC1CCCCCC1	214411869	CIODKWCFYRYYBC-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CC2CCCCC2)C1	253176943	AONJWGXEVWNMOS-NHAGDIPZSA-N	236.399	4.598	0	10	BJAE	
c1ccc([C@@H]2CCCCN2)c(C2CCCCC2)c1	258230826	FTOHAEKVQHTMEX-KRWDZBQOSA-N	243.394	4.549	0	10	BJAE	
C[C@H](NCCC1CCCC1)C1CCCCCC1	302242319	FUXVTTJTTBYOLZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CCCC(C)(C)C)C1	302256366	DCDOHJGOIMLAQI-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CC(C2(N)CCCCCCC2)C[C@H](C)C1	302484165	HWMOCEMNTQREFF-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(O)C[C@@H](C)CC(C)C)c1	305994776	UEIAHEDBYFHGMY-RDJZCZTQSA-N	248.410	4.583	0	10	BJAE	
CCCc1ccccc1[C@H](O)[C@H](CC)CC(C)C	308030338	NPMZMLPPOGJQCK-RHSMWYFYSA-N	248.410	4.745	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CCCC(C)C)NC	308041042	BGVDPNFQIYDZCU-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)c1cc(C)c(C)cc1C	308058589	FEWFHINGZMWYME-NVXWUHKLSA-N	247.426	4.684	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(CC2(C)CCCC2)C1	310189755	ZOOVJEVPNIJRPD-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)C[C@H](C)C1CCCCC1	310240783	INCVBFMEOCBFNG-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H]2CCC[C@@H](C)C2)cc1	310980088	JOUNJTZWSJANQN-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
C/C=C/CC1(CNC2CC2)CCC(CCC)CC1	317552681	BCQXIDPYOVGVGZ-HWKANZROSA-N	249.442	4.681	0	10	BJAE	
CC(C)NCC1(C2CCCC2)CCCCCC1	317597575	JSNLYUSLAGKUAK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)CC1(CNC)CCCCCCC1	318055798	UCUFRVNETKDREL-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C1CC1)C(C)(C)C	323950618	CWONVFJAOCHEGR-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC1	323979254	JQFPHWWFHZYTTA-DZUCGIPZSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CC2CCC(C)(C)CC2)C1	379960202	KQACWSJUBBQUEY-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](O)CCCCCC(C)C)C1	383229236	TXGLTZPEYNSXAK-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(OC2C[C@@H](C)C[C@H](C)C2)cc1C	383484665	TZVIYUIKNHBKRG-RYUDHWBXSA-N	232.367	4.507	0	10	BJAE	
Cc1ccccc1[C@](C)(O)CCCCCC(C)C	383583716	WMQKWOKDRUDDFO-QGZVFWFLSA-N	248.410	4.809	0	10	BJAE	
CC1(CNc2cccc3ccsc23)CCCC1	386121036	CEXFRSLQGBFOIE-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2CCCC[C@H]2C)c1	394878689	HEXPJNQEOXLSJN-UKRRQHHQSA-N	231.383	4.542	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC1CCCCC1	395204740	XXSRCRMODXZBLO-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CSc1c(C)cc(C(F)F)c2sccc12	396402366	GQZCNVWQZRJXBM-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCc1ccc(N[C@@H](CC)[C@H]2CC2(C)C)cc1	397647595	SOSQDCOVHDLVBJ-CVEARBPZSA-N	245.410	4.876	0	10	BJAE	
CC[C@](O)(CCC1CCCCC1)[C@H]1CC1(C)C	397694176	PIHQUHMNVAYWJT-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CC1(CN)CC(C)(C)CC(C)(C)C1	688347118	MBYPQZZOEKRTGL-ZDUSSCGKSA-N	239.447	4.604	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)CC1CC=CC1	692108719	WYKMAWKKMDBGKS-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@]1(CC2CC=CC2)CCCC[C@H]1C	692153660	FWEZHCPFJSZZSR-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCCC[C@H]1C1CC1	696102245	CCLZLBRWAWNMPO-HOCLYGCPSA-N	247.357	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@@H](C)C(C)(C)C	697760106	XULXIOZHIGWBQQ-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@H](C)c1ccccc1	697771377	TUZJJSUNNAIWOC-RDJZCZTQSA-N	245.410	4.515	0	10	BJAE	
CC(C)=CCCc1ccc(F)cc1C(F)(F)F	698011599	VNWRYPIQXLVQBL-UHFFFAOYSA-N	246.247	4.743	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H]1C[C@@H]1C(C)(C)C	700004393	ZTUGDSWMXBLKBX-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C(C)(CC)CC	701133808	QMBCAOHFVDNIDA-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)[C@@H](N)C1CC(C)(C)CC(C)(C)C1	701186012	XXHUXMPFZBUCEA-ZDUSSCGKSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](c1c(C)cccc1C)C(C)(CC)CC	701203464	AOPXUMAJFBRRKK-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(N)C2CCCCC2)C1	704861312	NRRIZPUYKNQADQ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](NCCC)[C@H](C)CC(C)(C)C	708272190	DFCDQEMWBAJVND-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(NC[C@H](C)CC(C)(C)C)c(C)c1	709096510	JFXZAPACIWQYLB-CYBMUJFWSA-N	233.399	4.788	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)(C)C)C1(C)CC1	709183167	DQVUURVFQOBMDD-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@H]2CCCC[C@@H]2C(C)C)cs1	710760167	QHZFXTWPUZENAQ-KGLIPLIRSA-N	237.412	4.683	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](N)C[C@@H](C)C(C)(C)C	711111367	TZJJJOWGFKVYOC-BMFZPTHFSA-N	247.426	4.580	0	10	BJAE	
CCN[C@H](CCC[C@@H](C)C(C)(C)C)C(C)(C)C	711222475	CAJPGLBOEKMOTR-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCC(C)(C)CC)CC1	711276564	FKWJEMSCXSUSKP-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC(C)(C)C(C)C)CC1	713147219	GDQQXVMMQFKURB-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(C)(C)/C=C1\CCC[C@@H]1[C@@H]1CCCCN1	713151207	IFHICWYEGLTKGG-OPYKRYAKSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O	713180860	BSMQDNJKZLVBLI-MELADBBJSA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@@]1(CC(C)(C)C)CCCC[C@@H]1C	713313250	IVPCQRGGXPIGRI-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CCC[C@](CNC)(CC(C)(C)CC)C1	713336640	PDEVKKBGXZFGMI-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@@H]1CCCC[C@H]1C	713695677	NZBUVOBPIKIDDU-QUWVXFTRSA-N	249.442	4.703	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(CNC2CC2)CCC=CCC1	718082229	HYNNWDLPRVEADQ-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc(NCCC(C)=C(C)C)cc1	718504399	DLNTVEGKPXSEFZ-UHFFFAOYSA-N	231.383	4.797	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)c1cccc(C)c1	718514855	SYAGQBJFGFDXET-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
C[C@@H](CN[C@@H]1CCCCCC1(C)C)C(C)(C)C	719226133	XOALRUKKXXNRAA-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N(CC)CCCCc1ccccc1	1460181457	SHHRBDUNXVKFAE-UHFFFAOYSA-N	247.426	4.520	0	10	BJAE	
CCC(CC)CCC(C)=CCCNC(C)C	1900712485	JMGDFZWRERKICD-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](CC)CCC[C@@H](NC)C(C)(C)C	1905447173	VXPDPNSHYOPCNW-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](N)[C@H](CCC)CC(C)C	1910733489	GLMWGUWBOTWVOK-LVQVYYBASA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)C1(CNC2CC2)CC2(CCCC2)C1	1912565624	PPEUCGCRZYTGLN-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C1CC2(CCCCC2)C1	1912730798	YRXHELZEDPRXTD-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCF)C[C@H](CC)C(C)(C)C	1913240940	FTMBGFPPZDLKIN-KBPBESRZSA-N	245.426	4.567	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H]1CCC2(CCCC2)C1	1916403612	YNCZOJLRHJSNAA-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](N[C@H]1CCC2(CCCC2)C1)C1CCCCC1	1916439555	AIXQRBZZOKTALI-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc([C@](C)(O)C[C@H](C)CC(C)C)c(C)c1	1919912964	CDURELFQODKTAV-RHSMWYFYSA-N	248.410	4.583	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@@H]1C=CCCCC1	1925909702	HMOYOMUPOHPORM-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCCC1([C@@H](C[C@H]2C=CCCCC2)NCC)CC1	1925910086	LKKOOXVREAMGOC-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@@H]1C=CCCC1	1932605743	YWQLVEUXMYDTNO-KFWWJZLASA-N	206.373	4.949	0	10	BJAE	
C=CC=CCCC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C	1936715237	BHIMZHWTIGZVFM-KKUMJFAQSA-N	218.384	4.971	0	10	BJAE	
Cc1scc(C(=O)[C@H](C)CCC(C)C)c1C	1937161765	MWGYMROCESEKIX-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(CC2CC(C)C2)CC1	1940687587	GYQDHWCPHCYEHV-GRAKBVBRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@](O)(CCCCCC2CC2)CC1	1941575505	NQBIYEWTUKJPQT-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](C)CC(C)(C)CC1CCC=CCC1	1941792444	FPQIEUXVOVZPKD-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC1(CCNCCCC2(C)CC2)CCCCC1	1945431360	ASMGSUTWSFKBGX-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H]1CCC1(C)C	1945746015	CVMZFZSKUBDBHD-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)[C@H]1CC1(C)C	1945829379	URUZFDMHEMHTFN-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC1(O)CC(C2CCCCC2)C1	1945953879	WTBRYZKKLGCLFZ-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)C1CCCCC1	1947468210	NLYVALPRSDTHPM-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)[C@H](C)CC(C)C	1948327991	RQPDIOLMNNHQMN-HZPDHXFCSA-N	241.463	4.993	0	10	BJAE	
CC(C)(C)c1ccc([C@@H](N)C2=CCCCC2)s1	1948973980	HEPSSEADXUAQKI-AWEZNQCLSA-N	249.423	4.546	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)CC1CC(C)(C)C1	1949735364	CGJMEZOKLOTIPT-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@H]1CCCC(C)(C)CC1	1950920513	WFRZZZSKVGGMQZ-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C2CCCCC2)CC1	1950921169	CNJXQMARFAGRDD-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
FC1(F)CC[C@@H](C[C@H]2C=CCCCC2)C1	1959891381	VADQUWPTKZAUBZ-RYUDHWBXSA-N	214.299	4.558	0	10	BJAE	
CC(C)[C@@H](C)NC1CCC2(CCCCC2)CC1	1968368448	KUIKTWOLSLLQPN-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CC1CC(C)(COc2cccc3sccc23)C1	1969667218	LQTXCYWWELIZAK-UHFFFAOYSA-N	246.375	4.716	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](C)CCCC(C)C	1969918877	RVYDWOCFIBYSEK-KKUMJFAQSA-N	227.436	4.616	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H]1CC[C@H](C(C)C)CC1	1969974082	RCTZCJYRWBCHCQ-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1CC[C@H](C)C1	1975789844	BVMKWLZXANGUKX-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](O)CCC)CC1	1980338551	FOUJLTJMBDRXLG-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H](C)C1(C)CCC1	1981372261	SNQUYEQAHFVYBE-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CCc1ccc(CC2CC(=C3CCC3)C2)s1	1985535316	SSWKHEMJBWANFT-UHFFFAOYSA-N	232.392	4.744	0	10	BJAE	
CCCCC[C@H](C[C@H](C)C(C)C)NCCC	1988221985	UXXKFEXPIHQUJE-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)N(C)CCC(C)=C(C)C	1990124195	VWQLKSNYZRXHFD-HNNXBMFYSA-N	225.420	4.633	0	10	BJAE	
CCCC1(CC(=O)C(CC)(CC)CC)CC1	1990591847	VJNJJIAKFNBKRQ-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@H](O)C[C@@H]1CCCC(C)(C)C1	1994034233	PCPKFDKJIRIZFT-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1CC[C@@H](C)C1	1995210461	IRLGWMAYDVOENB-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCN(CCC(C)C)[C@@H]1CC[C@H](C)C1	1995896725	SIPALXSVJVPYIO-JKSUJKDBSA-N	239.447	4.569	0	10	BJAE	
CC1CCC(N[C@H](C)C2(C)CCCCC2)CC1	1995990840	KQNVPPDHACKDLF-SHARSMKWSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@H]1CCC=CCCC1	1999992867	IWOIQNLLSBDLNQ-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CC=CCC1	2000192964	DBDHYIRJLBZMCK-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)C[C@H]1C=CCC1	2000506170	YTKHFRGZHBBHIK-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
c1ccc(-c2csc(CCC3CCC3)n2)cc1	2001710868	ONVKCYKEHFWYMY-UHFFFAOYSA-N	243.375	4.543	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)[C@H]1CCCC(C)(C)C1	2002974743	SPRHGMFHZBMXJQ-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CCC1(CC2(N)CCCCCCCC2)CCC1	2003102957	ZQVRCZOLOKVAMS-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1CCCC2(CC2)C1	2003217414	JTUDVDGYJFJVNV-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC=C(C)C)CCC1(C)C	2004228879	QIFZBKBDJROOLN-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@]1(CO)CCCC[C@H]1C	2005581528	ZBZNDOWZSDWLKC-HZPDHXFCSA-N	240.431	4.782	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CO)CCCC[C@H]1C	2005586726	PXIARXWEBJSEKJ-PMPSAXMXSA-N	240.431	4.782	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(C[C@@H](C)CC(C)(C)C)C1	2006608765	OSRDCTYDIDPIDS-SQWLQELKSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@@H]2C=CCCCC2)C1	2006660466	GZPKKGZCSQXPJO-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
Cc1cccc(NC2CC[Si](C)(C)CC2)c1C	2006996983	DDQPTVRTSRIRNV-UHFFFAOYSA-N	247.458	4.586	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](C)CC[C@H]1O	2009407265	MCLPIDKNQHYDHO-FXUDXRNXSA-N	240.431	4.780	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)CC[C@@H]1N)C(C)(C)C	2009412310	WYVZZORYUJSURS-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O	2009589743	NXYSDSQKECDWLT-TXUBFAOLSA-N	238.415	4.556	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O	2009593625	NXYSDSQKECDWLT-QLFBSQMISA-N	238.415	4.556	0	10	BJAE	
C/C=C/CCC[C@H]1CCC(C)(C)CC[C@@H]1NC	2009612604	XXQGAWVEQAROAK-WHJWBVKISA-N	237.431	4.537	0	10	BJAE	
C[C@@H](NC1CCCCCCC1)[C@@H]1CCC1(C)C	2014943519	VRXBSBAKCIJXRR-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1CC12CCC2)NCC	2015539069	WPBYNQAWUNJYDT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C(C)(C)CC(F)F	2016019672	SVHAOSBCRJSZJS-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)CC1(C(C)(C)C)CCC1	2017114987	SDXZDMAFJCNRFZ-CYBMUJFWSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C1(C[C@H]2CCCCC[C@@H]2O)CCC1	2017117206	SMTLJBXRIMUPTI-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)CN(CC)CC1(C(C)(C)C)CCC1	2017124923	IVMBKVIZCRKOCW-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CC[C@H]1CC[C@](N)(CC2(C(C)(C)C)CCC2)C1	2017149350	ZCJCIPYKALVXEY-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)CC(F)=C(C)C	2017462970	GXIWXOIRYMKUBF-OAHLLOKOSA-N	243.410	4.834	0	10	BJAE	
CCCC[C@@H](CC)Nc1nccc2sccc12	2018079182	KASHVJNPZXJGIR-LLVKDONJSA-N	248.395	4.677	0	10	BJAE	
CCCC[C@H](CC)N(C)CC1(CCC)CCC1	2018180246	UCDWFMAHILBWMB-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCCC1(C[C@@](C)(CCC)CNC2CC2)CC1	2018982500	MUBSOXMVBBLDLT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@H](C)C(C)(C)C)CC1	2018996156	SMLUGAUKPBDHIT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@@H]1CCC[C@@H](CC)C1	2019198822	IZWVNUOKYKQDDI-OWCLPIDISA-N	239.447	4.856	0	10	BJAE	
CCCCCCN(C)C1CC(CCCCC)C1	2019289769	DMIFKWWBHVOPFB-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC(C)CCCN(C)[C@@H]1CCCC(C)(C)CC1	2019301220	AZFUDKNPKJUCSK-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC(C)C(CC(=O)CCCC(C)(F)F)C(C)C	2023299771	OWBUVZAVUSCYER-UHFFFAOYSA-N	248.357	4.699	0	10	BJAE	
Cc1cccc(CC[C@@H]2C=CCCCC2)c1C	2024070618	NTKBZGIZGOBMPY-MRXNPFEDSA-N	228.379	4.982	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@H]1CCCC(C)(C)C1	2024092803	VBKOJLRXALFCQS-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2CC(C)(C)CC2=O)C1	2024101909	NYVJPMQBJXZVBT-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)c1ccc(C)cc1C	2027736161	MJUGAVWXSWJNKU-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H](C)CC(C)C	2027902651	BIOJAGJBNHBCSM-AWEZNQCLSA-N	246.394	4.894	0	10	BJAE	
CCC[C@](N)(c1ccc(C2CC2)cc1)C(C)(C)C	2028609336	OATDBNVRHLXTGV-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@H]2CCCC[C@H]21	2028788135	XLIUMDNHQWSVRV-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CC1CCC=CCC1	2028905996	FIKNCZSMQSSULJ-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)Cc1ccccc1[C@H](O)[C@@H](C)CC(C)C	2028919020	PDYZWIJICARJAJ-WMLDXEAASA-N	248.410	4.601	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@H](C)c2ccc(N)cc2)C1	2031800889	IUAKVYXMGIJMOY-BARDWOONSA-N	245.410	4.835	0	10	BJAE	
CCCNC[C@]1(CC2CCCCC2)CC12CCC2	2032133640	FCNQEZAHRPPZIN-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2[C@H]3CCCC[C@H]32)C1	2032791286	QXSZBDNYAMGICV-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@H]2CC[C@@H](F)C2)cc1	2032938813	KASOLAQAYNZEJX-IUODEOHRSA-N	248.341	4.521	0	10	BJAE	
C[C@H](NC1(C)CCCCCC1)[C@@]12CCCC[C@H]1C2	2033410850	XYGLAZWXKKXHRG-ZOBUZTSGSA-N	249.442	4.658	0	10	BJAE	
C1=C[C@H](C[C@@H]2CCOC3(CCCCC3)C2)CCC1	2035552976	AGODVMRVENLHCC-HOTGVXAUSA-N	248.410	4.862	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](NC[C@@H]2C=CCCC2)C1	2035567180	VMXXNQWPEPZNBX-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
N[C@@]1(C2CCCCCC2)C[C@@H]2CCCCC[C@@H]2C1	2035864278	XZUIHHIGUYQLAT-SCAQPMJSSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)C1CCC(N)(CC2CC=CC2)CC1	2037139987	MYZFONFVXLSNJR-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CCc1ccc([C@](C)(N)CCC(C)=C(C)C)cc1	2037169260	RMVKYXBNJISJCE-QGZVFWFLSA-N	245.410	4.559	0	10	BJAE	
O=C(CC[C@H]1C[C@H]2C=C[C@H]1CC2)CC1CCCC1	2038112640	ORFRNYDGIUOGPX-JYJNAYRXSA-N	246.394	4.518	0	10	BJAE	
CC1CCC2(CC1)CC(NCCCCC1CC1)C2	2038935473	SVTKOOBUJZOTQS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNC(C)(C)C1CCCC1	2039453333	QVAHZNDHGSSHSN-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@@H]1CC[C@@H](C)C1	2040172653	NRGYPUIYKKGLJT-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(N[C@@H](C)C2CCC(C)CC2)cc1	2040632260	CNQUCISMPAFYQW-BBBYJDLNSA-N	245.410	4.876	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1ccccc1C1CCC1	2040724568	WWDNJLOUSQVGBT-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@]1(C)CC=CCC1	2042019052	LGNVBUJLGHWQSC-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@]1(C)CC=CCC1	2042074634	PLSHFQZWQXYGOK-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H]1CCCC(C)(C)C1	2043189660	CQSFLGBUSCNYMF-HOCLYGCPSA-N	249.442	4.824	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H]1CCC12CCCC2	2043190292	IEZQOGGMQQAXGG-GOEBONIOSA-N	247.426	4.578	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@](C)(N)C1CC2(CCC2)C1	2043477583	IHJYCDPOGWFWOV-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CCC[C@H](C3CC3)C2)C1	2045400551	NKRYUZHBPANNCP-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
NC1(CCCC2CCC2)CC2(CCCCCC2)C1	2046231422	HLGFBNMKBZHRHS-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCN(Cc1ccccc1C)C1CCCCCC1	2046653188	FDKMDCPVCXOGBT-UHFFFAOYSA-N	245.410	4.540	0	10	BJAE	
CC1(C)CC([C@](C)(N)C[C@H]2CC23CCCCC3)C1	2047058897	MKPIYVUIDQTMBV-GOEBONIOSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)CC2CCC=CCC2)C1	2049528965	MVLCRGWRHRLTMT-USXIJHARSA-N	249.442	4.667	0	10	BJAE	
N[C@@H](C[C@@H]1CCCC2(CC2)C1)C1CCCCCC1	2049855223	IYWHWYJYDVTEQF-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@@H]1CCC2(CC2)C1	2049867833	XTNVNJUVZZSZDP-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@@H]1CCC2(CC2)C1	2049962901	KIEIYTNCNSDRSA-GJZGRUSLSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2051407091	HWVMCVUEQAWBNI-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)c1cccc(C(C)(C)C)c1	2055225761	LANUPYMKFGLAKH-IUODEOHRSA-N	244.378	4.603	0	10	BJAE	
CC1(C)CC(Nc2ccc(CF)cc2)CC1(C)C	2055670905	BSHLMISSATZTCY-UHFFFAOYSA-N	249.373	4.783	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCC(C)CC2)cc1F	2056538780	AHRWTODVDKOTRV-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC1([C@H](N)CCC2CCCC2)CCC2(CC2)CC1	2056556928	NZQZENKRYZCYHL-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2CC(C3CC3)C2)CC1	2056675389	LVVNAVCFRDHMGQ-KNLHSXBVSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@@H](NC)C2(C3CC3)CCCC2)CCC1	2057604366	QOFKDUSWXXIBFI-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CC(C)=C[C@@H](C)C1	2059247586	SHZUMZDYCMOHQQ-PVAVHDDUSA-N	249.442	4.703	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1CC(C2CCC2)C1	2059259157	MRCISMDSUNLKOZ-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CC[C@@H]1CCCC[C@H]1C2	2059467516	RCZNOTRJLMEUOV-QAETUUGQSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)[C@H]2CCC(C)(C)C2)CC1	2061085254	PNYYNCSZEOMMER-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC([C@H](N)C2=CC[C@H](C(C)C)CC2)C1	2061136786	CULAVGURGAGVBN-UMAGBFNSSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)C(C)(C)C1CC1	2061147844	QMVHEQLKQSSLAK-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CC2)C1)[C@@H](CC)C(C)C	2061731985	ZEBRWKCISVIXPH-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc([C@H](O)C(C)(CC)CC)cc1	2061869955	JHTZKNXHVORECE-INIZCTEOSA-N	248.410	4.889	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CCC[C@H]2C[C@@H]2C)cc1	2062618968	HHJOUJNDUYBEFU-JQFCIGGWSA-N	245.410	4.636	0	10	BJAE	
CC1(C)CCC(N)(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063479486	CQVHFSLCAJMDRA-QDMKHBRRSA-N	249.442	4.501	0	10	BJAE	
O=C1C[C@H](CCC2=CCCCC2)CC2(CCC2)C1	2063715645	ULJVDDDWWGNTMR-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
C[C@H]1CCC[C@H](NCCC23CCC(CC2)CC3)C1	2065260548	SIVQURAHRMHVAZ-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)([C@H](N)CC23CCC(CC2)CC3)C1	2065281799	JYIKDEJTLOWODG-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@]12CCCC[C@H]1CCC2	2072419613	NNIMAHLBESFTJJ-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@@H]2C2CC2)CC1	2072797507	ZXNNKOKDAAERSP-MUIFIZLQSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCCC3(CC3)C2)CC1	2072807470	WPOKSNZWBHWVSF-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(C2CC2)cn1	2073294799	RWQXMGBSGIOSSF-HNNXBMFYSA-N	246.398	4.730	0	10	BJAE	
N[C@H](C[C@]12CCCC[C@@H]1C2)C1CCCCCCC1	2074029599	OKIOWARBNRXSAU-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CC=CC12CCCCC2	2074906212	OMTHZANJCIIUJC-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
C[C@H](C1CCCC1)N(C)[C@H]1CCC12CCCCC2	2075008464	KMRRWKPLMUXSQM-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1CCCCC12CC2	2077196568	MTICKJWGDTYGMR-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccccc2C2CC2)C1	2077261883	HDDKONUMGMXRQN-UKRRQHHQSA-N	243.394	4.945	0	10	BJAE	
CCCCC[C@@](C)(N)CC1C2(CCC2)C12CCC2	2083538925	FPICQBIIOXMWBT-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cc(C)c(Cl)c(C)c1	2210142839	SXRHEMMKEWHKEN-SECBINFHSA-N	238.758	4.576	0	10	BJAE	
CC[C@H](C)NCC(C)(C)CCC(C)(C)CC	2212585930	XVGJNYIYSXVSJP-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCCCC(CC)(CC)CN[C@@H](C)CC	2212598062	SLCBXNCKHPXLNZ-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CCCCCCC1CC1	2213572964	BXPOKJRWQANMEC-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@@H](O)CCCCCCC1CC1	2213575806	JKYDKNYJZPTQPJ-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)C[C@]1(O)CCC[C@@H](C(C)(C)C)C1	2216256832	JIXRCZMDVNHASE-IIAWOOMASA-N	240.431	4.636	0	10	BJAE	
CCC(CC)[C@]1(CN[C@@H](C)CC)CCC[C@@H]1C	2217125391	PEAZELJMBSSELE-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H](C)CC)CCCC[C@@H]1C	2217125894	BKZXRNIYFNJZFI-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC1CCCC1)C(C)C	2217142719	XQBBBOKHJPCXFN-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
O=C(CCCCCCC1CC1)C[C@]12CCC[C@@H]1C2	2218736500	ZJCHKRMQZZBVGM-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccnc(C(C)C)c1	2220902277	PGFULBLALOEOAY-UKRRQHHQSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1ccccc1C1CCC1	2220922434	BABVWESBBZOGAS-HIFRSBDPSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1)C(C)(C)CCC	2222302617	PYAOXYUCNAJQQV-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
O=C(CC1CCC1)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222950235	VQCCFHUQYVOAFS-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CNC12CCCC2	2223162898	UXQNVKVMICLYML-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CCC[C@H]2C)CC=CCC1	2223550841	NYPMVXNTHQJZAU-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1CCC1)c1cccc2ccoc12	2224153484	ORVIVMSWUZHCDJ-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCCCCC(=O)CC[C@@H]1CCC[C@H](C)C1	2242762107	JBVFMSWVWMOBOO-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
Cc1cc(C)c(CC2=CCCCC2)cc1C	2243238388	RPFQHDZAFYNNLT-UHFFFAOYSA-N	214.352	4.655	0	10	BJAE	
CC1CC(C)(C[C@H](N)CCC2CCCCC2)C1	2246454447	OHPKMYAHYQUENV-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
CCC1CC(C(=O)CC[C@@H]2CCC[C@@H](C)C2)C1	2246660612	RGUTVEWSVFFCLJ-JLVJUDLZSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCC[C@@H](C)C1)CC1CC1	2246732711	NBSDSQILNGXIPH-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CCCC[C@H]2C[C@H]2C)C1	2247095674	DNGHKJSNWHAJIS-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1(O)CCCCCCC1	2247111234	CSZIZFFHHDBDCC-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCCC[C@@H]1C[C@@H]1C	2247117935	UIDVBXVQYPCXPD-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@]1(N)CCCCC1(C)C	2247163926	HYCWOXBGPOVTOA-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CCCCC[C@H]1C[C@@H]1C)CNC	2248848609	AEFMAKWVHNNJGT-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(N)c(-c2ccc(C3CCC3)s2)c1	2250255943	LKKPSETVILSAGU-UHFFFAOYSA-N	243.375	4.573	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C1CC(CC(C)(C)C)C1	2251532550	YGVFGMUCBNBYNB-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CN)CC1CC(CC(C)(C)C)C1	2251571308	HJVSIYSVNFSUAI-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CC(C)=CCC[C@H]1[C@H](O)C(C)(C)CCC1(C)C	2251720523	QJHSCETXZPYCPU-KBPBESRZSA-N	238.415	4.556	0	10	BJAE	
N[C@H]1CCCCCC1=CC[C@@H]1CCCCC12CC2	2253824432	QBLHYVVZHYDIIQ-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC1CC2(C1)CC(C[C@@H](N)CC1CCCCC1)C2	2254465061	JZFWIVFGSJRILO-LYOOIAODSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCC[C@H]1C[C@H]1C)CC1=CCCCC1	2254509603	GHLYRWAOGOMSDK-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCn1ccc2cc(F)ccc21	2254520643	IRGZXBSPDMJKLJ-STQMWFEESA-N	245.341	4.607	0	10	BJAE	
Cc1cccc([C@H](N)CCCCC[C@H]2C[C@@H]2C)c1	2254540120	XDTVBVYDGBYDLR-YQQAZPJKSA-N	245.410	4.601	0	10	BJAE	
C[C@H](C(=O)CCCC[C@H]1C[C@@H]1C)c1ccccc1	2254603830	FELJZFUNQVFFLZ-DZKIICNBSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H](Nc1cc(C)c(C)c(C)c1)[C@@H]1CC1(C)C	2258234755	DMAUBSOARUCAQI-JKSUJKDBSA-N	245.410	4.848	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cccc(C(C)(C)C)c1	2259441733	FHABRKARAHXPAB-CZUORRHYSA-N	248.410	4.844	0	10	BJAE	
C1=C[C@H](Cc2cccc(CC3CC3)c2)CCCC1	2260824976	JFBIUZLTSDJKER-HNNXBMFYSA-N	240.390	4.928	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H]1CCNc2ccc(F)cc21	2261337521	GNYWWPZVJUJXPW-NEPJUHHUSA-N	247.357	4.551	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@H]1CCCC[C@@H]1C	2300681409	ORBFWCQLTKRIJY-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@@]1(CCC(CC)CC)C=CCCC1	2300682890	DGZNBLQAWIXUDX-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)CC[C@@]1(CN)CCC[C@@H](C)CC1	2300696659	GLXVICJDNLRTBE-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CCC(C)=CC[C@@]1(CN)CCCC(C)(C)CC1	2300870726	XQNPXYYUGHHLAI-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CCC1(C)CC1	2300875366	UOXWELSOPWVXGN-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CC)C[C@H]1CC=C(C)CC	2300896436	IJORJBDQDHBCLN-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](O)CC1CCCCCC1	2301135433	KIHUTTYGVKEGFO-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(=O)CC(C)(C)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301242815	WGKAIZGTHQBZKY-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
C1=C(CCCC[C@@H]2C[C@@H]3CC[C@H]2O3)CCCC1	2302341934	BLPFAPNXXCFRAP-OWCLPIDISA-N	234.383	4.615	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)CCC(C)C	2302356788	RCYXASZDENZBMF-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CCCC[C@@H]2C[C@H]12	2302908417	TYQZEVHROQPKPG-XUJVJEKNSA-N	249.785	4.639	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2C[C@@H](C)CCC2=O)CC1	2303530429	CJTJORPQQLJSQD-GLQYFDAESA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)COc1ccc2ccccc2c1Cl	2307639246	WVHQIPNDWRXWRY-UHFFFAOYSA-N	248.753	4.918	0	10	BJAE	
CCC[C@@H](CC)CN(C)CC1(C)CCCCC1	2307748586	BEDCMWIMFDFYQH-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](CC)CC1(N)CCC2(CCC2)CC1	2307829246	RXBHCQQFYUJCHM-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)C[C@@H](C)CC(C)(C)C1	2307880456	WOMYHPIPWOWBMA-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCCCC1CC1)NC	2307899265	PGZKZUZQNVXBBQ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](N)CC1CCCCC1	2307901805	ZOHFRLQAEOWBHZ-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CC(C)NC[C@@]1(C[C@@H]2CCC[C@H]2C)CC=CCC1	2308259493	GDPBLXBBDFYIDV-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)[C@@]23CCC[C@@H]2CC3)C1	2313294919	JGHTWROSICMOPO-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@@H](N)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2316507594	CIQWTHMKDJMMES-MWDXBVQZSA-N	249.442	4.667	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317113704	NWZCIQWYPJYFTE-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CC(=C1CCC[C@@H]1[C@@H]1CCCCN1)[C@H](C)C(C)C	2317818868	CPDJHHGIABHHJK-COXVUDFISA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CCCC2=CCCCC2)[C@H](N)CC1	2318537040	DBULJZKRAAEVLK-BHYGNILZSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@@H]1C)C1=CCCCC1	2318929634	TUGXMIZUVDFYKE-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(CN)CCCC23CCC3)C1	2319040451	XGUYVGAQNRUITM-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H]2C=CCCCCC2)CC1	2320232128	QKBZSCYROHKPMY-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@@]1(C)CC=CCC1	2320258137	KFUTVXOHEWRSNB-VBQJREDUSA-N	248.410	4.764	0	10	BJAE	
CCN[C@H](CCC[C@H]1CCC(C)=C(C)C1)C1CC1	2320334722	ROOHBTILPMWIDP-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(O)CCCC3(CC3)C2)CC1	2320339648	GGRUFBQUSFJYLO-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC[C@H](C(C)C)C2)CC1	2320349062	WJZPUBUDGNSQBH-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H]2CCC23CCC3)CC1	2320407031	WKGGEVBFKMFFNV-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@H]2CCC[C@H](C)C2)CC1	2320417965	ZWBMPGIJMYHWAH-XKQJLSEDSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)c2cc(C)c(C)o2)CC1	2320423755	OGBZIYRDMCHMDQ-AWEZNQCLSA-N	246.350	4.606	0	10	BJAE	
CC[C@H](C)c1ccc(C=CCCC(C)=O)cc1	2320795396	BYSARUAJXCCJNM-ZDUSSCGKSA-N	230.351	4.583	0	10	BJAE	
Cc1ccc(C(C)C)c([C@](C)(O)[C@@H](C)C(C)C)c1	2327702057	UAXZCYJRGVVFAE-WMLDXEAASA-N	248.410	4.618	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccc(F)cc2N)c1	2327781388	JFQMJQPJZGAQIY-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1ccccc1C1CC1	2328273503	CLCIFUGVAOZHLO-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)c1ccccc1	20358695	JOIDDIOTZMVSHC-LSDHHAIUSA-N	233.399	4.696	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cc(Cl)ccc2C)o1	20559389	OBRZINHSQQIOEN-NSHDSACASA-N	249.741	4.723	0	10	BJAE	
CCCCc1ccc([C@H](C)N[C@@H](C)CCC)cc1	21811455	RYOOEMJXYSKUHR-GJZGRUSLSA-N	247.426	4.868	0	10	BJAE	
CCC(CC)CN[C@H](CC(C)C)c1ccccc1	35012715	AAEFEVNUTXFEFD-QGZVFWFLSA-N	247.426	4.800	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](CCC(C)C)NC)cc1	35469067	VPCHZQIVPWLNAN-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)c1ccc(CC)cc1	36792258	GDJHOWZFMGHLAL-CABCVRRESA-N	247.426	4.868	0	10	BJAE	
CCCCCCCCCC[C@H]1CC=CC1=O	59075721	FYCVHHUJRTYZNJ-AWEZNQCLSA-N	222.372	4.662	0	10	BJAE	
Cc1cc(NC2CCC(C)(C)CC2)ccc1F	79654420	DAMZAIBADIJTFD-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
Cc1cc([C@@H](C)N[C@@H]2CCCC(C)(C)C2)c(C)o1	79978927	PNPCIDGYFCWSLJ-TZMCWYRMSA-N	249.398	4.516	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C3CC3)C2)cc1F	81624202	DXCAZHRSKVAYEL-KBPBESRZSA-N	247.357	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@H](CC)[C@H]1C	86092230	OVRSDWGQKIMRRN-XFIYOXNOSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)C2CCCCCC2)C1	87946561	HOYFPNVVZKHACV-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCCc1cc(F)ccc1-c1ccccc1	90428742	ZEOPPLYWSNGUDQ-UHFFFAOYSA-N	228.310	4.835	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@@H](O)CC2(C)C	94270657	IHVMHFWIJCCYET-HNNXBMFYSA-N	246.394	4.648	0	10	BJAE	
C/C=C\C[C@@H](CC)c1ccc(SC)cc1	107605752	MOVANKMZJYBJLC-TXNVCOODSA-N	220.381	4.868	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccc2ccccc2c1	109711118	AGNYLPSVLVKTIB-UHFFFAOYSA-N	240.346	4.849	0	10	BJAE	
CCCC[C@H](NCCC)c1cc2ccccc2o1	112901117	ZAYVWOWCJMYRDF-AWEZNQCLSA-N	245.366	4.664	0	10	BJAE	
CCCCCC[C@H](N)c1cc2cc(F)ccc2o1	129474154	BFXIOKLUQSKLJI-ZDUSSCGKSA-N	249.329	4.542	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@H](CCC(C)(C)C)C1	132132255	QMXNIFSDABNIQO-RBSFLKMASA-N	239.447	4.604	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H](CC(CC)CC)C1	149440864	ARFXHORDTHQDNZ-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@H]1C)C1CCCCCC1	149847550	SBXWLWMHFAUQGT-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
NCC1(C[C@@H]2C[C@@H]3CC[C@@H]2C3)CCCCCCC1	158902631	CYQBROILKSFJQV-OAGGEKHMSA-N	249.442	4.502	0	10	BJAE	
CC(C)CC1(C(=O)CCC(C)(C)C)CCCC1	165211720	DAFVRSJREHNTOK-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccc2ccccc2c1	204111281	MGWFFEKUIDRBQX-INIZCTEOSA-N	242.362	4.700	0	10	BJAE	
CC(C)[C@@H]1CNc2ccc(C(C)(C)C)cc2S1	214912772	NOBLAGOAUBSGLJ-AWEZNQCLSA-N	249.423	4.526	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)c1ccsc1	225988091	UZAFTGWHODYPHT-OCCSQVGLSA-N	239.428	4.758	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@@H](CC)C1	225988680	GIHORNAWWOBQKZ-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
Cc1cc(F)cc(C(=O)[C@@H]2CCCCC2(C)C)c1	226793265	BXADXFFKSSALQB-AWEZNQCLSA-N	248.341	4.533	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@H]2CCC[C@@H]2C)c1	226800631	YEYHPJDHMJBYGW-BBRMVZONSA-N	244.378	4.504	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@]2(O)CCCC(C)(C)C2)C1	226908601	SOHPHGPUYZBSFX-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)c1ccc(C)c(C)c1	229330357	IBIYPSGRMSRCSY-UAGQMJEPSA-N	245.410	4.520	0	10	BJAE	
c1cc(-c2ccc3c(c2)CCN3)cc(C2CCC2)c1	229614643	WBSCWWKRVNZYJQ-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CC(C)C[C@H](C)c1c[nH]c2c(F)cc(F)cc12	232622070	UHSUEHMGEIUECT-VIFPVBQESA-N	237.293	4.596	0	10	BJAE	
CCC[C@H](CC)Nc1c(C)cccc1Cl	233347912	HMFZXIQZHBVSOM-NSHDSACASA-N	225.763	4.639	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1	250591848	LZMKXLHGERIFRU-HEHGZKQESA-N	243.394	4.585	0	10	BJAE	
CC[C@H](C)C[C@@H]1CCCC[C@H]1CNC(C)(C)C	251952865	URNNNZULUSXFSK-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCOc1ccccc1NC[C@H](C)CC(C)C	302434488	VTOBTSAVQFNEMQ-CQSZACIVSA-N	249.398	4.570	0	10	BJAE	
CC[C@@](N)(CCC1CCCCC1)c1ccccc1	305897302	PACZOMNYDWAIMQ-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)C1CCC(C)(C)CC1	305994039	UBNJTEIUMQLXMI-UKRRQHHQSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1ccc2ccccc2c1	306023080	OGUQTYDVUUPLRQ-CXAGYDPISA-N	241.378	4.666	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H](CCC(C)C)C1CC1	306037753	MOZLNVWEMLGRST-HOCLYGCPSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNCC(C)(C)C2=CCCC2)C1	308760616	XGDHXWMXPZRFLQ-HUUCEWRRSA-N	249.442	4.539	0	10	BJAE	
C[C@H](C[C@@]1(O)CCC(C)(C)C1)C1CCCCC1	310375346	ZMNUKDGKZJKHPE-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC12CCCCC2)C1CCC1	313057153	XSOMIFHHNVXBGK-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCCC1CCC([C@H](O)[C@H](C)[C@@H](C)CC)CC1	318701700	DPDVTJABGLFCHH-AOTHYSKPSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(O)(CC/C=C/c1ccccc1)C(C)C	324030368	PYZKDVSUHLMRTJ-XYOKQWHBSA-N	246.394	4.523	0	10	BJAE	
CC1CCC(CC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	380951013	PTECFLAICGVFHP-XJCPWDRGSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)[C@@H](C)CC	383150993	OLIZIQBYSRODBT-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCC[C@H]1C	383176033	TYUDESTVKYWFOW-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC1CCC(C)CC1	383526685	PRZSDLBBESKPHY-FJBKBRRZSA-N	239.447	4.747	0	10	BJAE	
CC[C@](C)(CNC(C)C)CC1CCC(C)CC1	383879184	JHALHZMMQSVVAD-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](CC)C1CCCC1	387596020	URQQVESKWLQIKC-INIZCTEOSA-N	245.410	4.938	0	10	BJAE	
CCC(CC)(CC)CNC[C@H]1CCC[C@@H](C)C1	391169224	KGLODWUJEPFRPL-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H]1CCCC[C@@H]1C	395061583	VGECOAVBDTYDJR-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCc1ccccc1[C@H](N)CCC1=CCCCC1	395100379	ZHZGWQNWIZQGNT-QGZVFWFLSA-N	243.394	4.529	0	10	BJAE	
COc1cc(Cl)cc2scc(C(F)F)c12	396287382	CWDGBYTVRABUCL-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CSc1cccc2c(C(F)F)c(C)sc12	396406719	NLLWSYKBILMKJU-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCN[C@H](CCC1CCC1)c1ccccc1C	398649978	KWSHRHPMHMGCQY-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
C[C@@H](C[C@H](N)CC1CCCCCC1)C1CCC1	398735306	UNEUNGSBAGLLOC-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C1(CCC)CC1	398924808	PCTATBNGORIIBW-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)NCC1(C[C@H]2CC=CCC2)CCCC1	402216388	ONTXXBRXLDIHPA-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(F)cc(C(=O)CCC(C)(C)C2CC2)c1	405827274	QKJQGVUAZPNWJL-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)c1cccc(-c2cc(Cl)ccc2O)c1	688952007	DCXJMTURCWBZAD-UHFFFAOYSA-N	246.737	4.836	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccc2sccc2c1	691831546	UFSKKKAGLZGCKO-XHDPSFHLSA-N	248.391	4.761	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)[C@@H](C)C2CCC2)cc1	692696477	UBJWGSYYSNJTHE-OLZOCXBDSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H]1CCCCC[C@H]1C	695058364	DOZXZSVZCFHOJZ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)c1ccccc1	696660274	QRIQTJDMVXWBAT-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CCC(C)(C)CCC1(CN)CCC(C)(C)CC1	696783469	SEBQXUUWQMZGKL-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CCC=C(C)C	697598581	JZLJAAHYVJKUNM-LSDHHAIUSA-N	226.404	4.556	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)C(C)(C)C	701518028	PVRXOQYRRPACBX-OAHLLOKOSA-N	233.399	4.507	0	10	BJAE	
Cc1c(Cl)cccc1O[C@@H]1CCC[C@@H](C)C1	702647293	CLVBLRMHXBIYIE-ZYHUDNBSSA-N	238.758	4.606	0	10	BJAE	
CCCCC[C@@]1(N)CCCCC[C@H]1C(C)C	704452985	DGBJBEIFJCFQPA-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@]1(N)CCCCC12CCCC2	704861186	PEDUOTWIMVHYHA-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCCC1CCC(C(=O)c2ccc(C)[nH]2)CC1	706189981	LTNXDCAIYQBLDH-UHFFFAOYSA-N	247.382	4.502	0	10	BJAE	
CCC(CC)(CC)N[C@H](C)[C@@]12CCCC[C@H]1C2	709088528	XALCRNMVNOWZAP-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCNCC1(C[C@H](C)CC(C)(C)C)CCCC1	709104910	MHYRWJQYVYXTJG-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1ccccc1F	709210913	IJFMELAKJXIGET-OCCSQVGLSA-N	235.346	4.597	0	10	BJAE	
C[C@H](CNC(C)(C)c1ccccc1)CC(C)(C)C	709217923	VCLZQEFWLCTUOH-AWEZNQCLSA-N	247.426	4.584	0	10	BJAE	
CC[C@H](N[C@H](C)[C@@]12CCCC[C@@H]1C2)C1CCCC1	709246771	OEQWRAGEACPQHI-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(O)C[C@H](C)CC(C)(C)C	709255595	ARMLWGQEJAFGKQ-HGTKMLMNSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CCCC[C@H]1C(C)C	710025529	PNUCRLCHGVYCSX-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C[C@@H](CC)C(C)(C)C	711101636	CJGLICLDMSSIST-MJBXVCDLSA-N	227.436	4.602	0	10	BJAE	
Cc1ccc2c(ccn2C[C@H](C)C(C)(C)C)c1	711144887	HDHLESSRVGBHFR-ZDUSSCGKSA-N	229.367	4.632	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)c1cc2ccccc2o1	713172645	UWUAIHUVSWCKFH-CYBMUJFWSA-N	246.350	4.539	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC(C)(C)C(C)C	713217541	MBLGMELXOTVSIA-CYBMUJFWSA-N	228.420	4.636	0	10	BJAE	
C=C/C=C\CC[C@H](NC)[C@@H](CCC)CC(C)C	713683585	LVMQCDJVIFLHHZ-ALLYREJPSA-N	237.431	4.559	0	10	BJAE	
O=C(CCC1CCCCC1)CC[C@@H]1C[C@H]1C1CC1	714896720	RHHMEIYSVOABJV-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)(C)C[C@@H]1N	717470347	NLIQHFJNQHYSRT-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@H](C2CC3(CCC3)C2)c2ccccc2N1	717543372	PAJDIWOSTBKJBU-IUODEOHRSA-N	241.378	4.555	0	10	BJAE	
CC(C)=C(C)CCc1cccc(C)c1C	718757513	YTJYIHZKNDPEHX-UHFFFAOYSA-N	202.341	4.592	0	10	BJAE	
CC[C@H](C[C@H](O)CC1CC(C)(C)C1)C(C)(C)C	723531378	JHUBNTBHCJLTNO-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccccc1OCC1CC(C)(C)C1	723560411	QRRKGAGHPHERKV-UHFFFAOYSA-N	232.367	4.625	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H](C2CCCC2)C2CC2)C1	723958741	CEZORUQJCOVKNZ-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@@H](N2CCC[C@H]2CC2CCCCC2)CCC1	1167251941	OMWYCNXLIMWRKK-SJORKVTESA-N	247.426	4.530	0	10	BJAE	
Cc1ccc(CSc2ccc(C)cc2C)cc1	1188242874	DVTONOZVSWAPEQ-UHFFFAOYSA-N	242.387	4.904	0	10	BJAE	
C1CCC(CCCSCC2C[C@H]3C[C@@H]3C2)C1	1459207453	XOPSYNHVSXLCML-GJZGRUSLSA-N	238.440	4.736	0	10	BJAE	
C1=C[C@@H](SC[C@H]2C[C@@H]3C[C@@H]3C2)CCCCC1	1559446182	YHNACASKGMVZIA-LXTVHRRPSA-N	236.424	4.655	0	10	BJAE	
C1CCCC(CCN(CC2CC2)C2CCC2)CC1	1559788381	DCGYWIKJFHEEAV-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CCC[C@H](CCNC2(C3CCC3)CCC2)C1	1653842206	YRPRKLHRFDMYNY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC(=CC(C(C)C)C(C)C)CNC(C)(C)C	1883378827	VZPMDRVMIQQPJX-UHFFFAOYSA-N	239.447	4.639	0	10	BJAE	
CCCCCCc1ccc(C2CC2)s1	1889493605	GYUSGGYXDNVCDQ-UHFFFAOYSA-N	208.370	4.748	0	10	BJAE	
CCCCCCc1cccc(C(F)F)c1F	1901881978	ZEFMECOCJPPIEB-UHFFFAOYSA-N	230.273	4.886	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@](C)(O)C1(C)CCCCC1	1910693338	IBRFTUULCGNDIB-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1NCC(Cl)=CCl	1911548846	GJIPIEQSXLRWRQ-UHFFFAOYSA-N	244.165	4.541	0	10	BJAE	
CCCCCC[C@]1(N)CCC2(CCCCC2)C1	1915902877	RHLSPZOLSORTJF-INIZCTEOSA-N	237.431	4.789	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCC2(CCCC2)C1	1916402795	TWJZNZPLNPNEMN-CQSZACIVSA-N	229.367	4.520	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)C[C@H]1CCC[C@H]3C1	1923458734	FGKXVQLCFIWSJO-STQMWFEESA-N	239.362	4.615	0	10	BJAE	
CCCN[C@H]([C@@H](C)C1CCCC1)C(C)(C)CC	1924096315	BZCSMVHUHIZIPU-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](c1ccco1)[C@H](C)C1CCCCC1	1924135262	JHURZNDTQQZHKZ-CZUORRHYSA-N	249.398	4.537	0	10	BJAE	
C1=C[C@@H](C[C@@H]2CCOC3(CCCC3)C2)CCCC1	1925842414	ASIFALWEAWYWQF-CVEARBPZSA-N	248.410	4.862	0	10	BJAE	
CCCC[C@@H](CC[C@@H](C)C(C)(C)C)NCC	1939109770	BUFPPOFVYGASBL-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C[C@H](O)c1cc(C)cs1)C(C)(C)C	1939445155	WWRAAZGHEJLQOE-RYUDHWBXSA-N	240.412	4.552	0	10	BJAE	
CC1(C[C@@H](O)C2CCCCCC2)CCCCC1	1940407879	JXOCIZQREKEVOY-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CC2CC(C)C2)CC1	1940669422	ISAVUPCLHPCQLY-BHDPWAOGSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)C1CCC(CC)CC1	1941250467	GKXPRLAYUNZJQZ-FJBKBRRZSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)CC1CCC=CCC1	1941825532	IOKKYXVXTZPVET-HOTGVXAUSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C1(C)CC(C)(C)C1	1941985632	LZKYKAHHYNMOFW-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]([C@H](C)CCC(C)C)C1	1942660433	LWDMXQNFNWLTOK-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](N)C(C)(C)C1CCCCC1	1944666667	UBODAZHZJYMOMZ-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)CCNCC(C)(C)C1CCCC1	1946166527	MIGNCBHBJMESHN-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CCC1(N)C[C@@H]2CCCC[C@H]2C1	1946290271	PCRPOQYJFYLUFR-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(C)(C)Nc1nccc2sccc12	1946975164	KYLKOGPQAXZCGM-UHFFFAOYSA-N	248.395	4.533	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@H]3CC[C@H]2C3)cc1Cl	1947122162	DHQHTXDMGNBOCW-XUJVJEKNSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@](N)(C[C@@H](C)C1CCC1)C1CCCC1	1949039567	DBMDWANRYHFBFF-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCN(C[C@H](C)CC(C)(C)C)[C@H](C)C1CCC1	1966565522	LETYILGOIGSLLD-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
C1CCC(CCCN[C@@H]2CC[C@H]3C[C@H]3CC2)CC1	1967833774	FKHKAVHYJRXIJX-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1NC[C@@]1(C)C=CCCC1	1967836924	KLHNRRVOEJFFTJ-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1NCC1CC2(C1)CC(C)(C)C2	1968250996	WVKFUSYNVOLEAV-UHFFFAOYSA-N	243.394	4.623	0	10	BJAE	
CC(C)CC[C@@H](C)NC1CC(C)(C)C(C)(C)C1	1968330144	XNTFTBAJGDADLV-CYBMUJFWSA-N	239.447	4.616	0	10	BJAE	
CCCCC1CC(N[C@H](CC)c2ccccc2)C1	1968549413	JWRKINJOLNZNEH-BDVYOWHSSA-N	245.410	4.696	0	10	BJAE	
Cc1ccc(-c2sc(C(C)(C)C)nc2C)cc1	1968696550	KWXAAZRIJODUFS-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
c1cc(NCC2CC3(CCC3)C2)cc(C2CC2)c1	1972462568	WURQOAWEYOUKAB-UHFFFAOYSA-N	241.378	4.556	0	10	BJAE	
CCC(C)(CC)CN[C@@H](C)c1cc(C)ccc1C	1973315176	FBQBMCZENSBFTJ-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@@H]1C1CCCC1)C1CCCCC1	1973328394	YFOIPOZMPCXZJD-IXDOHACOSA-N	249.442	4.514	0	10	BJAE	
CCCCCc1nc(-c2ccccc2)cs1	1977509002	DCKXHEXYEWHKCF-UHFFFAOYSA-N	231.364	4.543	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(N)CCCCCCCC1	1980334602	QDTILBAMBFLIAN-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@@H](C)C(=O)C1	1982770327	PJWFHSUWHOOBGB-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)NCCCCC(C)C	1986946200	AGZNBPSRBVJQMV-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1C=CCCCC1	1990969447	SKKVWIUQZQCKJP-CYBMUJFWSA-N	235.758	4.559	0	10	BJAE	
CCCCCc1ccc(C(=O)CC(C)C)s1	1991778720	SBPPTNLAYNKPHW-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
c1sc(C2CCC2)nc1C1CCCCCC1	1995499112	YEJMRHKHAUPKGL-UHFFFAOYSA-N	235.396	4.848	0	10	BJAE	
CCC1(NC2C[C@H](C)C[C@@H](C)C2)CCCCC1	1995690976	ISIGGUQHYBCEPN-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCCCN1CC1(C)CCCCC1	1995772815	YGZIBIYLKMANFN-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCC3(CCC3)C2)c1	1998695995	MAJNGHDEMKDLKT-GFCCVEGCSA-N	249.785	4.783	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@@H](C)CCC(C)C	2000317326	WBYZFSSLSKAYIH-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@H](C)CCC(C)C	2000324594	UQYOOXHGEILJKC-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@@H](C)[C@H](C)CC	2000389463	DIFNWFQZYNZNDC-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H]1CCCC[C@@H]1CC	2000389614	FQRICADPZCUSGZ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC1CC(C(C)C)C1	2007748485	DARRPPRFPXGYAL-KNIAUWFNSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CCO)C[C@H]1CCCCC12CCCCC2	2008715204	DXVMYEQERWZNJL-LSDHHAIUSA-N	238.415	4.536	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCC(C)(C)CCC1=O	2009404441	NHSXKPHWGUBUJP-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CCC2(C)CC2)CC1	2009548074	MUHVWVOJTFFQCG-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@@]1(N)CCCC[C@@H]1C(C)(C)C	2009569928	VBPTZICGGWDDGC-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CCCCCC1(F)F	2009573138	PYBCJVHUTGQBSS-QAVQXKDTSA-N	244.325	4.518	0	10	BJAE	
C/C=C/CCC[C@](C)(O)[C@H]1CCCC(C)(C)C1	2009591152	UYSUDWYSFUNNDE-NCVJHSOJSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)C[C@](CC)(CNC1CC1)C(C)C	2012421223	JPMUUOSBCISHLL-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(C)cc1F	2013264280	LWZWFMKJZAFWDV-ZDUSSCGKSA-N	237.362	4.761	0	10	BJAE	
CCC(C)(C)[C@H](C)NC1CC(CC(C)(C)C)C1	2014657550	VMNQLJQXFLCCLX-HSBZDZAISA-N	239.447	4.616	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)[C@@H]1CCC1(C)C	2014886237	WRSVRYKSVHPERA-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C[C@@]1(O)CCC[C@H](C)CC1)C(C)C	2015284903	ROOGDINWPYQZHE-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)CC(C(C)C)C(C)C	2015393693	GKLOOTWTBFOPTN-GDBMZVCRSA-N	241.463	4.704	0	10	BJAE	
CC1=C[C@](N)(CCC(C(C)C)C(C)C)CCC1	2015395255	XNVDCEDHQXINTA-MRXNPFEDSA-N	237.431	4.523	0	10	BJAE	
CCCCCCC(=O)CC1(C(C)(F)F)CCC1	2016740055	FQHQLQUQNOVMCU-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CC(C)C1(C[C@@]2(O)CCCC(C)(C)C2)CCC1	2017113601	BJKCVDRINVCCTB-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(CC1(C(C)(C)C)CCC1)C1CCC1	2017115404	XUUCOFROFLWTCK-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(CC2(O)CCCCCC2)CC1	2017647453	FQLHVRIZAZKGNH-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@H]2CCCCCCCC2=O)CC1	2018926033	XJBXEZOHOMNKER-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)CC1(CC)CC1	2018986648	CAQANKRSEXFUNV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@H](C)C(C)(C)C	2018993048	YZDKPULHBHQNND-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H](CC(C)(C)CC)NCC)CC1	2018997494	BQDPPPPFXUOLHJ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@H](C)c1cccs1	2019114744	OHHTYTIHJUHLHQ-QWHCGFSZSA-N	245.391	4.502	0	10	BJAE	
CC1CCC(CN(C)[C@H](C)CC(C)(C)C)CC1	2019182956	WXKFNKSDVKNJNP-SHARSMKWSA-N	239.447	4.569	0	10	BJAE	
CC[C@H]1CC[C@H](CN(C)CCCC(C)C)CC1	2019299020	FHFGBIMHDASZTM-WKILWMFISA-N	239.447	4.571	0	10	BJAE	
CCN(CC(C)(C)C(C)C)[C@H]1CCCC1(C)C	2022054013	KZQBUDLLNOZRBQ-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CCCCC(C)(F)F	2023346478	SZPVMFQBADPQBM-ZDUSSCGKSA-N	247.373	4.666	0	10	BJAE	
Cc1cc(-c2ccc(Cl)c(C)c2)c(C)cc1N	2024331107	SQTFALIJVCNOQH-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1[C@@H](C)CCC[C@H]1NC	2024517984	LGTWOZQHGPTJGU-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)C1CCC(C)CC1	2026141744	GOLJKSCOMHLABI-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
Fc1ccc2c(C3CCCCC3)coc2c1F	2026603979	WANWOLBFMKBROY-UHFFFAOYSA-N	236.261	4.759	0	10	BJAE	
Fc1ccc(F)c2c(C3CCCCC3)coc12	2026604240	ZIWQWNAXHMIDKS-UHFFFAOYSA-N	236.261	4.759	0	10	BJAE	
CCCC1([C@@H](O)c2c(C)c(C)cc(C)c2C)CC1	2026879197	UDWLARHYDQPGGC-INIZCTEOSA-N	246.394	4.534	0	10	BJAE	
Cc1ccc(C(=O)C2(C)C(C)(C)C2(C)C)c(C)c1	2027152204	FTAQDAWRSZPCNG-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H](C)C1CCC1	2027903813	QIEWXDNONGALGP-CYBMUJFWSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1ccccc1C1CC1	2028578593	SDRRXIVSXVNRKI-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1ccc(C2CC2)cc1	2028598223	OMQPGZLRJVRXAG-SJORKVTESA-N	246.394	4.670	0	10	BJAE	
CN[C@@H](CC[C@@H]1CC1(C)C)CC1CCC=CCC1	2028871353	ZPQXXASZSPTOTJ-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC1CCCC1)CC1CCC=CCC1	2028873254	WFPQGYRZCDQJPK-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1(CN2CC[C@H]2C2CCCCC2)CCCCC1	2029045273	AZZUTNGWPYQWBV-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@H]1NCCC1=CCCCC1	2035409283	LTVALFUMRZQLOP-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)c1ccc(C(C)C)cc1	2036374940	LXMSZOJRFCEJAD-YOEHRIQHSA-N	248.410	4.700	0	10	BJAE	
CC(C)CCC[C@H](N)[C@H](c1ccccc1)C(C)C	2037093711	OKWFLIPSWQOPGT-IRXDYDNUSA-N	247.426	4.580	0	10	BJAE	
NC1(CCC2=CCCCC2)CCC2(CCC2)CC1	2037172317	LLPAFDDYJIARSW-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
C[C@@H]1CC([C@H](N)CCC2=CCCCC2)C[C@@H](C)C1	2037172352	LUHURFNNZTYQHC-GRDNDAEWSA-N	249.442	4.667	0	10	BJAE	
CC1(CCC[C@]2(N)CCCC23CCCCC3)CC1	2037175497	FAXQTXVPIUUGLF-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H]([C@@H]2CCC3(CCCC3)C2)C1	2037678142	ITIBHOPHCFYGRU-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](N2CCCC3(CCCCC3)C2)C1	2037678845	NLAPMUFQAXZNGB-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@H]1CC12CCCCC2	2039000001	ORTXAAPNXGNFCJ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC([C@H](N)CC3(C)CCCC3)C2)C1	2039461579	HLAIORHMJAEDPY-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)c1cc2cccc(C)c2o1	2040720768	FDMURNIBYTXUMU-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
FC1(F)C[C@@H]1c1ccc(C[C@@H]2C=CCCC2)cc1	2040911255	VIPMXVCSMZKTBJ-IUODEOHRSA-N	248.316	4.708	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CN[C@@H](C)c1ccccc1	2043074214	TWMYBYJWFZCYMT-ZOBUZTSGSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@H]1C=CCCC1	2043186119	BVYOJOTWDKLZKE-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC1(C)CC([C@](C)(N)C[C@@H]2CCC=CCCC2)C1	2045304886	JWWAZEJBPZGPQM-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@](C)(O)c2ccccc2)C1	2045374465	LKJDQOOXDNRCRI-PBHICJAKSA-N	246.394	4.501	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@H]1C(C)=CCC[C@H]1C	2045806055	KEFBVCHQNZIEBO-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)C[C@@H]1CC12CCCCC2	2047058343	IHNNLSXEWJUBIF-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCCCC1	2048436469	SBEIOUDVUJVOGO-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2[C@H]3CCC[C@H]32)CC1	2048470871	XOQWKMSABCTJPF-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@](CN)(C[C@@H]2CCC3(CC3)C2)C1	2049856129	PZKVZPCXXLGAHF-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CCc1cccc(NC[C@@H]2CCCC3(CC3)C2)c1	2049859980	XZHVGOHSAQGFSC-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC2CCC3(CC2)CC3)C1	2049947022	CICRLDACOWVTHR-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@H](N)C1(C2CCC2)CC1)C1CCCCC1	2051909137	ATIJEUSBCGDOGI-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@H]1CCCCC12CC2	2053354817	HGPQZQWCUVUPCN-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@H]1C[C@H](CC2=CCCC2)C[C@@H](CC)C1	2055026124	FQPYIFPFIVCRSA-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C=CCCC2(C)C)CC1	2055533719	WMZNWWIWJQTKIJ-OWCLPIDISA-N	249.442	4.680	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)[C@H]1CCCC(C)(C)C1	2060922208	QDOCNRIYWZJBNA-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(O)CCCC3(CCC3)C2)CC1	2061085629	SGKGGDSYYAZGEX-RHSMWYFYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC=C(C2(O)CC3(CCCCC3)C2)CC1	2061087000	CFNZPYHDPYSHFV-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC([C@@H](NC)C2=CCC(C)(C)CC2)C1	2061140431	NJKRWPOOPLQAKK-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CCC1(C(=O)CC2CC(=C3CCC3)C2)CCCC1	2061699246	KLLWEWNWUDYEST-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CN[C@@H](CC1CC(=C2CC2)C1)C[C@H](C)C(C)(C)C	2061729978	CKXHLDHPOHSUDH-BLLLJJGKSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1CCCCC1)CC1C[C@H]2CCC[C@@H]2C1	2063488327	VMOOYEWADWZFQF-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)CC12CCC(CC1)C2	2065340490	WQJBSQDHSQPKDP-VFNXUKNFSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CCC1CCCCC1)c1ccc(CN)cc1	2067356850	TUUMTSIZYCVNBG-CQSZACIVSA-N	245.410	4.609	0	10	BJAE	
C[C@@H](NC[C@@H]1CCCC2(CC2)C1)C1(C)CCCC1	2067509292	QIKYAFAKJPQVCV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC1(Cc2cccc3c2NCCC3)CCC1	2069342825	SQJRDXYRDDBAIQ-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC(C)C1CCC(C(=O)C[C@@]23CCC[C@@H]2C3)CC1	2070921506	JQJYAGKCPNVWRJ-BOXZVXIZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC[C@@]1(C)C[C@@H]1C)c1ccccc1	2070967035	LWALISVRDOXHDE-UAGQMJEPSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CC[C@H]2C2CCC2)cc1	2071784936	DRPQKLXBWGIXFW-DLBZAZTESA-N	243.394	4.801	0	10	BJAE	
CC1(CCN2CCC[C@H]2C2CCCCCC2)CC1	2071970005	YEDPQLAIUNPCEO-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)c1ccccc1C1CCC1	2072093716	GECASYADJUVWCY-OCCSQVGLSA-N	242.362	4.573	0	10	BJAE	
C[C@H](C[C@H]1CC[C@H](C)CC1)[C@H](N)c1ccccc1	2072799627	VNCUBCRYPOVJAI-ANQUJSFKSA-N	245.410	4.539	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2C[C@@H]3CCC[C@H]3C2)CC1	2072878217	JYQVBFJTRAAQLQ-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@]23CCCC[C@@H]2C3)C1	2074048523	XNMOLMXAITURCD-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(=C2CCNC3(CCCC3)C2)CC1	2074134265	PHKYIISVTPHTMG-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCCC1(CC(=O)C(C)(C)c2ccccc2)CC1	2074567903	AFAAGONYIITVHC-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CCCC2(CCCC2)C1	2074899351	KBUBDGKNTYYJGH-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2C[C@H]2C2CCC2)c1	2079282530	NAQHYAXHDRMAPA-RDJZCZTQSA-N	243.394	4.658	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CNc1ccc(C2CC2)cc1	2079612444	FRJAORIQIDWRAA-GDBMZVCRSA-N	243.394	4.658	0	10	BJAE	
CCC1(C)CC(N)(C[C@@H]2C[C@@H]2C2CCCCC2)C1	2079667735	YRXSRXQHVVRFTP-NJINODPHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H]1c2ccccc2NC[C@@H]1C	2079668923	DFUQSPXNXKKLJJ-DSJMHWKBSA-N	243.394	4.658	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@@H]1C[C@H]1C1CCCC1	2079726739	VFPXYBBAHUKHJQ-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC1CC(C(=O)C[C@@H]2C[C@@H]2C2CCCCCC2)C1	2079855039	YIDMYPZQMZCWMO-OMFOHFGMSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)c1cc(C)cc(C)c1C	2082929166	AVYZGNYXVYNTRG-CXAGYDPISA-N	247.426	4.699	0	10	BJAE	
CC1(C)C[C@](N)(C[C@H]2CCC=CCCC2)C1(C)C	2084335419	KFMKVSKWWNBYES-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CCCCCC[C@H](CCC)CN[C@@H](C)CC	2212590413	WSOJPOSNQZZBHV-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCC1([C@H](N)CCCCCCC2CC2)CCC1	2213577321	ASWSMDREBKJQPH-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
C[C@]1(C(=O)CCCCCCC2CC2)C=CCC1	2213580754	OOILUXZAQBYQSX-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CC(C)(C)CC[C@H](O)CCCCCCC1CC1	2213583628	UPBRQUPLRVQAGT-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)CN[C@]1(C)CC=C(C)CC1	2215794943	ASJLVZWZUXLZQR-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CN(CC(C)(C)C)[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216254302	YRUJBWTUGHAIOV-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)C[C@@](C)(CN[C@H](C)CC)C1CC1	2217134428	GHRAVCKKQJLOKC-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@](C)(CN[C@H](C)CC)C(C)C	2217135489	FZZPRNIPVHVKPQ-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@@H](CN[C@@H](C)CC)C1CCCC1	2217138204	DQMAVGNTCBYJGL-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CC(C)(C)CNC1CCC1	2217155943	GZALEVLVPZSJHB-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CN[C@H](C)CC)CC1(C)CCCCC1	2217156464	LKTJIGSJGWIGAP-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc(CC(C)C)cc1	2218646048	FGYDFIADCMESCV-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)C[C@@H]1CC12CC2	2218723623	GYPWGLMBEDYBMD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@H](C/C=C/c1ccccc1)NC	2219081670	OJODQUBHFMOZKG-KQPPXVQYSA-N	245.410	4.504	0	10	BJAE	
N[C@]1(CCCCC2CC2)CCC[C@@H]2CCCC[C@H]21	2220028785	WCSLEDOEQUUKHF-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
N[C@]1(CCCCC2CC2)CCC[C@@H]2CCCC[C@@H]21	2220028787	WCSLEDOEQUUKHF-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)CCCCC12CCCC2	2220882567	XOTIZHPGIDGYIU-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(C(=O)[C@]2(C)CC=C(C)CC2)CC1	2221642069	BFLWUUWVXYTDPX-VMBOVVBDSA-N	248.410	4.908	0	10	BJAE	
C(CCCC1CC1)CCCN1C[C@H]2CCCC[C@H]21	2223110624	PLXPOLNCKWFIAS-IAGOWNOFSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CCC(C)(C)C2)C=CCC1	2223559154	NZIWODHEHNZHDN-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC(C)(C)C)c1ccc2occc2c1	2224136804	XYJIKQVIHFIARF-CQSZACIVSA-N	245.366	4.520	0	10	BJAE	
C(=C/c1ccccc1)\Cc1ccc(CC2CC2)cc1	2226205995	IGCKQDWTDBSXCR-QPJJXVBHSA-N	248.369	4.895	0	10	BJAE	
Cc1cc(NCCCCC[C@H]2C[C@H]2C)cs1	2243910573	ZYMDBBHTCFCOKM-YPMHNXCESA-N	237.412	4.685	0	10	BJAE	
CC=CCCCc1cc(Cl)c(C)cc1OC	2246016495	UATRLRCGOZBXHS-UHFFFAOYSA-N	238.758	4.556	0	10	BJAE	
CCCC[C@H](CC)CSCCCC(=O)CC	2246065491	AOKOFTMZHHMJRX-ZDUSSCGKSA-N	244.444	4.695	0	10	BJAE	
CC(C)(C)C[C@@H](O)CC[C@H]1CCCCC12CC2	2246608484	ZOFGDABDYUNOEK-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)NCCCC[C@@H]1C[C@@H]1C	2247098795	REXUIATZKXUTQV-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](C)(O)CC[C@@H]1CCCC12CC2	2247653043	ZJVJRVHMHIVWPX-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CCCCC[C@@H]1N	2248817447	VXWWSXRBSKPLIG-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C(=O)[C@]23CCCC[C@@H]2CC3)sc1C	2251130760	UXFHNKDLTIDMGB-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@]12CCCC[C@@H]1CC2	2251153186	HZQNRWKXKYGORG-CJNGLKHVSA-N	236.399	4.742	0	10	BJAE	
CC1(C)C[C@@](N)(CC2CC3(CCCC3)C2)C1(C)C	2254108352	OTQPCMITPVYXOR-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1CC2(CCCC2)C1)C1(C)CCCC1	2254113499	OMCQUKDJGDLPRH-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCNCC1(CCCC[C@H]2C[C@@H]2C)CC=CC1	2254593751	IUVBCFPPWZAVHY-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1[C@@H]2CCCCC[C@@H]12	2254596169	NDEJDKMVVWSCSX-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC[C@@]1(CC[C@@H]2CCCC23CC3)CCCCCN1	2255224615	FTLWXWCIVUHRML-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)C[C@H]2CCCC23CC3)CC1	2255228283	RYXFOJWHSUGVFP-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(NCCCCC[C@H]2C[C@@H]2C)c1C	2257318589	DVMAVRAMSAGTEY-HOCLYGCPSA-N	245.410	4.932	0	10	BJAE	
CCCC[C@H](CC)Oc1cccc(C(=O)CC)c1	2258832077	ABGUTJGVQVBGFN-AWEZNQCLSA-N	248.366	4.627	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@]23CCC[C@@H]2CC3)C1	2260669190	HIZHDTKVZQAKMU-DJIMGWMZSA-N	249.442	4.502	0	10	BJAE	
CCCC[C@@](C)(CC[C@@H]1C[C@@H]1C)CNCCC	2298128133	VGSIIBMCYDODPU-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)[C@@]12CC[C@@H]1C2	2298649581	RAZCNMFZXHBKON-IIAWOOMASA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@H](C)CC1CCC1	2298917125	QGQCPYPYHZEESH-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@](C)(CC)C(F)F	2299837709	GHEHVZGDZNQSFM-OBJOEFQTSA-N	249.389	4.602	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1=CCCC1	2300453723	JZBVUJJTIOGNFH-UHFFFAOYSA-N	229.367	4.641	0	10	BJAE	
CCC(CC)CC[C@]1(N)CC(C)(C)CC[C@H]1C	2300700820	NYEXOTPHEILUKB-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCC(C)=CCC1(N)CCC2(CCCC2)CC1	2300901857	NZHJYCHXDVYSNG-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)CC1CCCCCC1	2301243775	FXTYUTWQNIRGKV-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
C1=C(CCCC[C@@H]2CCCOCC2)CCCC1	2302342223	FSLMYOLRXVKMFI-MRXNPFEDSA-N	236.399	4.864	0	10	BJAE	
C[C@]1(O)CCC[C@@]1(C)CCCC1=CCCCC1	2302361326	LPLCJSUOPCGNHD-CVEARBPZSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H](CCCCC1CC1)NCC	2302570615	BBPMPAKGPDSBMX-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H]1CCC(C)(C)C1	2302686262	XVFHZMBIBQHISJ-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCc1cscc1NC[C@]12CCCC[C@@H]1CC2	2302885375	AQZQKXSAGAMBSA-UKRRQHHQSA-N	249.423	4.693	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC[C@@H]1CCC(C)(C)C1	2304393297	FHVCIAFCAHYFOE-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)Nc1cccc(C(C)C)c1F	2307568517	BUHQJOFQZIZYSV-LBPRGKRZSA-N	237.362	4.940	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCC[C@@H]1C[C@H]1C)NC	2307841036	HYNXPRIHJGALGZ-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2311611257	RLOAVUSYJUSIET-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@H](C)c1ccoc1)CCCC(C)C	2316492987	WGMGWAWMRMIEDF-OAHLLOKOSA-N	249.398	4.703	0	10	BJAE	
CCC(C)=CC[C@]1(N)CCCC2(CCCCC2)C1	2316561375	ZPIQPMJUYUJVOO-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCCN[C@@H](CC1CCCCCC1)[C@@]12CC[C@@H]1C2	2317009106	HXBBUJBBTOCMJA-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@H]1CCC[C@H]1C	2317921944	DIXOYJWMCLKBTQ-CHWSQXEVSA-N	249.373	4.797	0	10	BJAE	
COc1ccc(CCCC2=CCCCC2)c(F)c1	2318567981	HOFZATLJJWKBPF-UHFFFAOYSA-N	248.341	4.657	0	10	BJAE	
CC1=C(C)[C@@H](O)[C@@H](CCCC2=CCCCC2)CC1	2318575481	FSCDDGFZTQHZIK-DLBZAZTESA-N	248.410	4.764	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@@]12CCC[C@@H]1CC2	2318880348	UUGNRMJDOWZSGG-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1CC1(C)C	2320387290	FQLRMZPZBJVJMD-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2[C@H]3CCCC[C@H]23)CC1	2320423642	NQPCUIYESLXTQB-ILXRZTDVSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@]12CCCC[C@H]1CCC2	2320438433	ZQEVIGCJQDPCHF-AIANPOQGSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@H](O)c2cccc(C3CCC3)c2)CCC1	2320655972	XFDLJXBMYHMHLJ-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCN(CC[C@H]1CCC(C)(C)C1)c1ccccc1	2321641488	FODSEQXZPAZISN-OAHLLOKOSA-N	245.410	4.729	0	10	BJAE	
CCCC1(C[C@H]2C[C@H]3CC[C@H]2C[C@]3(C)N)CCC1	2327773642	MCTNXKFATVEMHN-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)c1cc(C)ccc1C	2328212802	KJMLVBXLEFCICJ-DOTOQJQBSA-N	248.410	4.727	0	10	BJAE	
CC(C)=CCC[C@H](C)c1cc(C)ccc1O	15150861	ZLXULPSGBWOBBE-ZDUSSCGKSA-N	218.340	4.551	0	10	BJAE	biogenic
CCc1cc(Cl)c2cc([C@H](C)CC)ccc2n1	36913080	ICPBTLZCTYKJTK-SNVBAGLBSA-N	247.769	4.964	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](NC)[C@@H](C)C(C)C)cc1	70123023	HWFGLJSZQOMNRZ-JKIFEVAISA-N	247.426	4.753	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@@H](C)CCC	71127712	AZYKUAWXMHBJOI-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccc3ccccc3c2)C1	80431879	HZUXCPVAGBKVPY-CZUORRHYSA-N	239.362	4.830	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Oc1cc(C)cc(C)c1	87439612	SSIQZNKGGMTJFQ-GOEBONIOSA-N	232.367	4.651	0	10	BJAE	
CC[C@H](C(C)C)n1c(=S)[nH]c2ccc(C)cc21	94660056	XNDXQEFLPDFCAB-GFCCVEGCSA-N	248.395	4.614	0	10	BJAE	
Cc1ccc(CO[C@H](C)c2ccccc2)c(C)c1	96541959	ZTUGJDNXFBDQRV-OAHLLOKOSA-N	240.346	4.581	0	10	BJAE	
CCCCC[C@@H](O)c1c(C)c(C)cc(C)c1C	104049963	WXDQXXRKWYKYDK-OAHLLOKOSA-N	234.383	4.534	0	10	BJAE	
CC[C@@H](CCC(C)=O)c1ccc(Cl)c(C)c1	107618448	GZWGPPITFVKQEY-LBPRGKRZSA-N	238.758	4.511	0	10	BJAE	
Cc1ccc([C@H](O)C[C@H](C)CC(C)(C)C)c(C)c1	109784810	BRUYDAQPHDMHFH-XJKSGUPXSA-N	248.410	4.799	0	10	BJAE	
CCCC1CCC(N[C@H](CC)c2ccco2)CC1	109933078	MZWHLFQXDREPSG-YMAMQOFZSA-N	249.398	4.679	0	10	BJAE	
CCCCC[C@@H](C)[C@H](NCC)c1ccccc1	128550000	YKGLDAUIGUXGAN-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1cccc(CC(C)C)c1	157897448	VCSFJVQCVWLGMQ-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
CCCCCC[C@H](NCC)C1(CC)CCCC1	158483386	UWQPJKOFHHVIMQ-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCCC[C@H](NC[C@H]1C[C@@H]1C)c1ccccc1	159043675	XHRHNGAINITPQN-UAGQMJEPSA-N	245.410	4.554	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)c1ccccc1CC	163404794	BPEWKEQTLGZOHN-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC[C@H](C)[C@@H](C)C1	220614585	UUFDGCAXYCIDKR-DZKIICNBSA-N	245.410	4.876	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O	222474260	HOEYZWKIRMFDEQ-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@@H]1CC[C@@H](C)C[C@@H]1C	226171103	YYEWKYAUMFADIS-RBGFHDKUSA-N	239.447	4.616	0	10	BJAE	
Clc1ccc2scc(Cl)c2c1Cl	231600200	KDAKFSNZYNWAMO-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
CCCC1(CN[C@H](C)c2ccc(C)c(C)c2)CC1	233038845	RZXCXYWCLGUVSL-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CCC1(CN[C@H](C)c2cccc(C)c2)CCCC1	233094910	FWBMDZJTEAFKSL-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCC2(C3CC3)CC2)CC1	233377857	LJFNTRUFDFRDPA-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@H](C1(C)CCCCC1)CN2	235983407	LUSZNXYLOAVVEU-OAHLLOKOSA-N	243.394	4.783	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1	251030211	ACRPJTIRDVMDGK-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCCC[C@H]1C	251314242	JFMZVALJBHDMKS-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
CC(C)c1cc(Cl)cc([C@@H](CC#N)C2CC2)c1	260629801	ORPZSMXVTUKTIV-HNNXBMFYSA-N	247.769	4.871	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1ccc(Cl)o1	300058361	BRLAZXKKZYRECL-WDEREUQCSA-N	243.778	4.539	0	10	BJAE	
Cc1cccc([C@@H](N)C2=CCCCCCC2)c1C	300135508	JFLKVQPPUTVYSY-KRWDZBQOSA-N	243.394	4.584	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)[C@H](C)C1CC1	300142124	SRWFVMFNEPPTOY-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1ccc(Cl)s1	300807754	FLIHEVIWWFAFTF-SECBINFHSA-N	246.803	4.651	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cc(C)c(Cl)s1	300858255	CDRULMFSUBNGQD-QMMMGPOBSA-N	244.787	4.719	0	10	BJAE	
CCN[C@@H](CCCCC1CCCC1)C(C)(C)C	302268411	QQPQEZDZFIVUHS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C[C@@H](C)CC(C)C	302308797	IALXMNKGGFHZEO-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
Fc1ccc(Cl)c(OC2CCCCCC2)c1	304247475	PTZICPDFNRFFIF-UHFFFAOYSA-N	242.721	4.581	0	10	BJAE	
CC(C)C[C@@H](C)Oc1cccc2ccccc12	306105188	RXMRVAZMIYYGAM-CYBMUJFWSA-N	228.335	4.653	0	10	BJAE	
CSc1sc2ccc(C)cc2c1Cl	306774018	JIXWIEFVBMXZTO-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)c1cc(C)cc(C)c1	307995373	ADRQJCVVVMDEQZ-DOTOQJQBSA-N	248.410	4.799	0	10	BJAE	
Cc1cscc1-c1cccc(C(F)(F)F)c1	309358041	VGBDKCGEGGNEQH-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
CCC[C@@](O)(CC)C[C@@H](C)C1CCCCC1	310392876	GQWBYVQOGVFJJO-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CCC[C@@H](C)C3)c12	310594557	YALZKMIGIYZBDH-CZUORRHYSA-N	241.378	4.955	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)c1cc(C)cc(C)c1	311013669	KIUJBZBCBQFLFM-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCC[C@H](Nc1cc(F)ccc1C)C1CCCC1	313409248	MVTHVHIDOKHMJA-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
C/C=C\C[C@]1(CNC(C)C)CCC[C@H](CC)C1	317813189	BFFSWQXLKJKVON-BNOHMRNQSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](CCC)C1CCC1	322758026	CFXNOZQTUJMXGN-ZBFHGGJFSA-N	239.447	4.904	0	10	BJAE	
CCCN[C@@H](CC/C=C/c1ccccc1)C(C)C	324298554	QBFSHRIVEBLFAK-UEICXMAYSA-N	245.410	4.504	0	10	BJAE	
CCC[C@@H](CCCC1CCC(C)(C)CC1)NC	380056072	NHKHPFKYRHYURR-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](CC1(C)CCCC1)NCC	380181914	OSXRXCGYXOOUBF-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)C1(CCC)CC1	383427984	BKYAHTGUIMSNTA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1c(F)cccc1NC(C1CCC1)C1CCC1	385069232	SYKZZRHRXYXUIU-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC/C=C/CN[C@@H]1CCCC[C@H]1C1CCCCC1	385101660	ZUIMIKJVLLQDTA-PFSYBUSQSA-N	249.442	4.681	0	10	BJAE	
Clc1ccccc1-c1cccc2occc12	390236906	GJCJCFQNPXUZRR-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
CC[C@H](C)CCN[C@H](C)c1cc2ccccc2o1	394425829	QZHFTWDZYDFDNS-QWHCGFSZSA-N	245.366	4.520	0	10	BJAE	
CCCCC[C@H](C)NCCC1CCCCCC1	394570607	LIDGJYQRMKOECS-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCc1cccc(NCC(CC)(CC)CC)c1	395139580	XKGSUACSYPPPJV-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
Cc1c(C(=O)CCC2CC2)ccc2ccccc12	395540938	SQBSOFSWUJDWJI-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccsc1Cl	395663410	ZYLJAYQOMOGZOJ-VIFPVBQESA-N	231.792	4.638	0	10	BJAE	
CCc1csc2c(CC)c(C(F)F)ccc12	396167892	LBLIXNQWPKHWTG-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1cccc2sc(S)c(C(F)F)c12	396232448	AASVQAXXXBDPQT-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1cccc2c(C(F)(F)F)c(F)sc12	396296276	JZSIKIYPZRIAHH-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CC=CCC2)CC[C@@H](CC)C1	402290596	YGXSXQOECNKCMD-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)C1(CCC)CC1	402374268	UJFHILPMSNXECO-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	403335744	FBPFMEVNVHUKSS-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC(C)(C)C1CC1)C(CC)CC	405738685	OLGBPDSYNXEOAM-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(O)c(C)c(-c2ccc3ccccc3c2)c1	686553566	BWOMQUCTMLGLHL-UHFFFAOYSA-N	248.325	4.829	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H](C)CC1CCCCC1	689758098	ZNSBTGAZHVLODE-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccc(C3CC3)cc2)C1	690078471	GSQMRRUFIDFVCI-MLGOLLRUSA-N	229.367	4.555	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@H]1CC2CCC1CC2	691752653	RGZJALYZUOPHIP-BHUNQDJPSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](NCCC)C1CC2(CCC2)C1	691891554	YHCLZUBOCNHHNA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@]1(O)CCCC[C@H]1C(C)(C)C	697596763	BYUDXXBQUPXDSJ-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC(C)=CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1O	697629761	LQPWKIARUQMQFF-RRFJBIMHSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CC(C(=O)c2cccc(C3CCC3)c2)C1	701496583	HMKVTPDEWIXKJX-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)[C@@H](C)CC(C)(C)C	704626028	RKNOBVIIGIWYET-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@](N)(CC1(C)CCCC1)C1CC1	704833150	DNHMVLVSCGGDPP-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CC([C@@]2(N)CCC23CCCCC3)C[C@H](C)C1	705263481	BJLCPHIQVPKFTG-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@H]1CCCC12CC2	706300857	YWEYMVHYGXPHRP-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H](C)CC(C)(C)C)[C@H](N)c1ccccc1	709100957	APFXGMVNAGLNPT-YCPHGPKFSA-N	247.426	4.785	0	10	BJAE	
CCc1cccc(OC[C@@H](C)CC(C)(C)C)c1	709104692	CCVSHIYUYJKCHU-ZDUSSCGKSA-N	234.383	4.700	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)[C@]23CCCC[C@@H]2C3)c1	709131417	OKNWXWOXKVLWCO-XJKCOSOUSA-N	247.357	4.515	0	10	BJAE	
C[C@H](C[C@H]1CNc2ccccc2C1)CC(C)(C)C	709155426	MUQUTTMXEOTOPT-ZIAGYGMSSA-N	245.410	4.733	0	10	BJAE	
CCN[C@H](C)CC(C)(C)C[C@@H](C)CC(C)(C)C	709188917	OVBUGGKAENTDLU-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CCC[C@H](C)CC(C)(C)C)NC	709188929	OZTVGVMIMAXVCT-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](O)C[C@@H](C)C(C)(C)C	710743386	WFBCOYFPFGVAOB-VNHYZAJKSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc([C@](C)(N)C[C@H](C)C(C)(C)C)cc1C	710757352	IBNIZHNKANQKKN-WMLDXEAASA-N	247.426	4.550	0	10	BJAE	
Cc1ccc(C)n1[C@@H](C1CCCC1)C1CCC1	711878807	COONRTUBYZLMPU-INIZCTEOSA-N	231.383	4.636	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@H]1C[C@H]1C1CC1	712897721	ARVJTLULNIWMQS-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@H]1CCCCC1(C)C	713124943	KGBXXGUYLLUQJS-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1cc2ccccc2o1	713331592	QOQNGSJIXHPURP-UHFFFAOYSA-N	244.334	4.688	0	10	BJAE	
CCC(C)(C)CC1(CNC)CCC(C)(C)CC1	713334150	CNQAWRGCFFENOC-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C\CCc1ccc2ccccc2c1F	713648092	VTACLSFHXSILJG-ARJAWSKDSA-N	226.294	4.654	0	10	BJAE	
C=C/C=C/CC[C@]1(O)CCC[C@@H](CCC)CC1	713748010	JTWRNJHHOURPOL-QDNWOOLPSA-N	236.399	4.620	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CCCC[C@H]1C(C)C	718521663	WKEOQQSJZLMCRV-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCN[C@@H](C)[C@@H]1CC2CCC1CC2	718534648	UREYSBXPPRCCSH-OTBWCIGPSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@@H](CCC(C)=C(C)C)NCC)CC1	718590927	AOYWUQCHECNXFU-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CCc1cc(C)ccc1Cl	718703133	WMNFAGVQACBDTQ-UHFFFAOYSA-N	222.759	4.937	0	10	BJAE	
CCC[C@@H](NCC)[C@@H](CC)CC1CCCCC1	720427948	WMHOKFGDCSEJHM-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C[C@H]1CC1(C)C	722631324	RDKDRFORGBFCSR-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC([C@H](N)C[C@H]2CC23CC3)CC1	723182917	NZDIIGQNRNNGEG-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C1CCCCC1)C1CC1	724012062	VKVRUCMOTJSRIR-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
Cc1cscc1N[C@@H](C)c1ccc(F)cc1C	815608131	RGDUJUQKYWKXSV-NSHDSACASA-N	249.354	4.677	0	10	BJAE	
CC[C@@H](SC1CCCC1)c1ccccc1	1164551173	IENGPEBFEKKMHC-CQSZACIVSA-N	220.381	4.814	0	10	BJAE	
C[C@H]1CC[C@@H](Sc2ccccc2Cl)C1	1613256956	FXUKXOVAJRHBEU-VHSXEESVSA-N	226.772	4.621	0	10	BJAE	
c1cc(N[C@H]2CC[C@H]2C2CC2)cc(C2CCC2)c1	1621360582	HVIKHJYNJWTITM-IRXDYDNUSA-N	241.378	4.555	0	10	BJAE	
C=C/C=C\CCN[C@@H](CCC(C)C)C(C)(C)C	1653026306	AWHDQKXVKLKZRT-CDNLZTBQSA-N	237.431	4.559	0	10	BJAE	
CC(C)CCCC1=CCC(F)(F)CC1	1889470216	MEEFFCULVNWVTC-UHFFFAOYSA-N	202.288	4.558	0	10	BJAE	
CCC(CC)CC[C@H](O)C[C@H](C)C(C)(C)C	1900699383	ZKAXQGZHFUOJQK-JSGCOSHPSA-N	228.420	4.636	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@]1(N)CCCCCC1(C)C	1908546725	JCAOKYMOFXHILM-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C(=O)C[C@@H]1C[C@H]1C1CCCCC1	1910809613	OJVYJFWIMTWBCV-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccccc1-c1cc(Cl)ccn1	1911596522	YZZZJEMFTGYFEG-UHFFFAOYSA-N	231.726	4.525	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CCCCCC2CC2)[C@@H](C)C1	1916058345	NAKLGZWCCACCMD-KCQAQPDRSA-N	236.399	4.598	0	10	BJAE	
CC[C@](O)(C[C@H](C)CC(C)C)c1ccc(C)cc1	1919891153	RQCQLRGNCMZFIF-WBVHZDCISA-N	248.410	4.665	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@H]1CCCC12CCC2	1921640972	OQFYRYUYHANQQI-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H](C)C1CCCC1	1924083574	LWOWKGZPACSHFP-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
Clc1cccc(C[C@H]2C=CCCCC2)c1	1925821748	WPMBPMFLWBDUKG-LBPRGKRZSA-N	220.743	4.629	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)[C@@]1(C)CC1(C)C	1925890892	HSTUTXIBNPHTQJ-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1NC[C@@H]1C=CCCCC1	1925930548	REXJMYQOBFUYKN-OAHLLOKOSA-N	243.394	4.797	0	10	BJAE	
CCN[C@@H](C=Cc1ccccc1)CC(CC)CC	1926177019	MPVVNNZDYDAVIT-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
FC1(F)CCC[C@@H]1CC[C@H]1C=CCCC1	1932599400	UFJYVGUGHSSNTO-NWDGAFQWSA-N	214.299	4.558	0	10	BJAE	
CCC(C)(CC)CN[C@@H](C)c1ccc(C)s1	1936270929	LJQLYOABWOSHCB-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
Cc1cc(N)ccc1SCC1(C)CCCCC1	1940408126	KCSYQBIQSBOHHN-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCCC[C@H](C=C(C)c1ccc(N)cc1)CC	1940969154	XHXBEGYJFCOFFR-CQSZACIVSA-N	231.383	4.889	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CC1CCC(C)CC1	1941249816	BTHRRMYJKRFKOJ-SSHXOBKSSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](CN[C@H](C)CC1CCCCC1)C(C)C	1941930280	YCDQJMVXYWZUPS-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CCCCCC1(C)C	1942651818	ATDGUXBMHWHLGB-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)CC1CCCCCC1	1942660093	LCMRASWHPQZEEE-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)CCN[C@]12CCCC[C@@H]1CCC2	1944190741	YDYXBHXHTZLXCN-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)C(C)(C)C1CCCC1	1944642485	WMEYMDLALXKGLZ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CC[C@H]2CCC[C@H]2C1	1945311147	KNRHICHFWOYIKT-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCC[C@@H]1C(C)C	1947464909	HLMBIYCIORDLMA-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CC[C@@H](C)[C@H]1C(C)C	1947466498	JLQNUGWFXHRALN-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1c(C)coc1C	1947524894	DUGZHVUGGIJFRC-ZIAGYGMSSA-N	238.371	4.536	0	10	BJAE	
CCCC[C@H](CC1=CCCCCCC1)NCC	1948428786	IMCLHJDTEXOKGR-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CCCCCC[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	1948584324	DBWYUYZNKGMJPB-OAGGEKHMSA-N	237.431	4.645	0	10	BJAE	
CCC(F)(F)C(C)(C)C[C@](C)(N)CC(C)(C)C	1949029274	HSWXBSLFRQEUNL-CYBMUJFWSA-N	249.389	4.602	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H](CC)C1CCCCC1	1950099682	HPQUSCGRBJFTSW-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CCC[C@](CO)(CC2(C)CCCC2)CC1	1950907701	GXQQOMQWARCTMO-GOEBONIOSA-N	238.415	4.536	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(CN)CCC[C@H](C)CC1	1950924864	OJDJQOXDIOIXAN-HRCADAONSA-N	239.447	4.604	0	10	BJAE	
C[C@]1(CC2CC=CC2)CCCCC1(F)F	1962089392	ZQTPKGPSESVAOL-GFCCVEGCSA-N	214.299	4.558	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCCC23CCC3)c1F	1967688583	LZOHTSDZDRAWDB-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
CCC1(CC)CC(Nc2ccc(C)cc2F)C1	1968326333	GAKYVTSHCLUECB-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCCc1nc(C2CCC(C)(C)CC2)cs1	1975979207	KPFCECZSGWXQES-UHFFFAOYSA-N	237.412	4.779	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1CC=CCC1	1978456775	ZZAXXBQFTNUVPC-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
C1=C[C@H](CC2[C@@H]3CCCCC[C@@H]23)CCCC1	1980111178	ZZLXPAKKQJOFEF-RRFJBIMHSA-N	218.384	4.949	0	10	BJAE	
CCC(C)(C)CC1(N)CCCCCCCC1	1980336715	MOUHOLSRCZTAAP-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CCC[C@@H](C)C(=O)C1(C)CCCCCCC1	1981426588	GMBWKYOYZKRBTI-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](CCC(=O)C(C)(C)C)CC1	1989838899	ATOCOVZASWNLPW-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CCC1CCC1	1995259108	KGCOZDAYWABCDA-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@H]1CCC[C@@H](C)C1	1996618826	XSXTYNGFIILFEZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCCC(C)C)CC1	1997116975	OFESIZJNFUMHOP-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C[C@H](C)CCC	1998029371	FCBFGSYLLDXCJT-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(N)(C[C@H]1CCC=CCCC1)C(C)C	1999985679	LXQAJMVSXSAJDX-HNNXBMFYSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@](C)(CNC)C1CCC(CC)CC1	2000508476	JLOVZQDRECXQIZ-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@](C)(CCC[C@H]1CC1(C)C)CNCC	2000517670	GMGZUIZYRWXEAU-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1[C@H]2CCCCC[C@H]21	2002150931	IHLDHKWRIGUIAG-AGGWBTHJSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002221699	RRQILVAXQZSDDC-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
CNC[C@]1(CCC=C(C)C)CCCC(C)(C)C1	2002993736	NGVUEOMIZRWSOD-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)CC2CC2)CC1	2003066363	AVWBTIQXGQWQKA-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@H]1CC=CCC1	2003074005	GKAGVYCKQGHIHX-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2CCCCCCCC2)C1	2003101753	YOSXTQADRBHJHH-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
CC1(C)C(C2(O)CCCCCCCC2)C1(C)C	2003112074	RCQPFUFJERCNBQ-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@H]1CCCC2(CC2)C1	2003201856	ZBMKDPZCKCVNTE-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@]1(C)C=CCCC1	2003327636	XJZXSLZGNUTWEK-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C1CCCCCCC1	2004235537	ZULOJXRBEMGRRQ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@@H](N)[C@@H]1CCCCC12CCC2	2005592050	MUKNKZQRJUCNGW-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(CF)cc1	2007025132	JOAROALUJHBTFG-GXTWGEPZSA-N	237.362	4.783	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1CC(C(C)C)C1	2007749199	KZSADMMXPTXBFM-AVVWSFFYSA-N	239.447	4.602	0	10	BJAE	
CC=CCCC[C@@H]1CCOC2(CCCCC2)C1	2009591607	WKBWQDFLBGLPKC-OAHLLOKOSA-N	236.399	4.862	0	10	BJAE	
C/C=C/CCCN[C@H](C)C1CCC(C)(C)CC1	2009598215	LPIMBGSHVIPTJD-VBROQKIQSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C1(CC)CCC1	2009619855	PAFBJRIJCLUQGG-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(F)cc(CC2CC(=C3CCC3)C2)c1	2011088975	YRYNISPLTFLMEK-UHFFFAOYSA-N	230.326	4.567	0	10	BJAE	
C[C@H](CC(=O)CCC[C@H]1C[C@@H]1C)CC(C)(C)C	2011572139	PCTUOYIKYIQSQW-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](NCCC)CC(C)(C)C1	2012042246	SBHGNTBKFBUGAK-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](CCCCCC1CC1)(CNC)C(C)C	2012414429	VWINUCAAGXSDEH-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@](O)(CCC[C@@H]1CC1(C)C)CCC(C)C	2013269838	CCKPJSMDFKTESX-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CCC(C)(C)C1CC1	2013297331	RTEMLKPFMJCRDJ-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](C[C@@H](C)CC(C)(C)C)N1	2013525375	SRFAGYVVDSSZFF-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CCCC(CCC)[C@H](N)CC(C(C)C)C(C)C	2015283650	GNWLCYYBCCOFNY-MRXNPFEDSA-N	241.463	4.848	0	10	BJAE	
Cc1ccc(C)c(OCC(C(C)C)C(C)C)c1	2015382570	CWHSFATWJQCJRB-UHFFFAOYSA-N	234.383	4.610	0	10	BJAE	
CCC[C@@](C)(CNCC(C)C)C[C@H](C)C(C)C	2015399699	ORZCUNJDVCEOLY-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCCC[C@H]2C)CCC1	2015584562	LYLYRWXOPCHSGA-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C[C@H]1C[C@H]1CC	2016851275	GKZAZGKUIMPNDV-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC1(C(C)(C)C)CCC1	2017143038	ZUOLTFUBMDTTRR-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)c1csc2ccccc12	2017237570	MYBZRACZHULBGG-QWRGUYRKSA-N	244.359	4.520	0	10	BJAE	
CC(C)=C(C)CNC1CCCCCCCCC1	2017460883	BNJSRISXPVGQSV-UHFFFAOYSA-N	237.431	4.825	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1CC[C@H](CC)CC1	2017653218	QINUYDKNAVDCDD-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC(CC)CC)CC1	2017654796	HOKKLJCVJGSXNQ-SHTZXODSSA-N	238.415	4.988	0	10	BJAE	
CCC1CCC(C[C@@H](N)CCC2(C)CC2)CC1	2017728688	ODJNYHGGPMLARS-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017728868	PVSKPQHNWQQQKL-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)C[C@H]1CC[C@H](C)CC1	2017729467	XATLLRKHMGRDJH-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CN[C@]1(C)CCC(C)(C)C1)CC(C)(C)C	2017907541	KAZXJTVMYBUDQI-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1CCCC12CC2	2018127997	SFDYUHICCMNLLA-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](N(C)CC(C)(CC)CC)C1	2019204824	ZXOKISYBZQBKIT-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCCCN(CC(C(C)C)C(C)C)C1CCC1	2020636578	DLIKKFIQIGHIOH-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
Cc1cc(CNC(C)(C)C)sc1C1=CCCC1	2023670588	DHZSRRVWCZNBIT-UHFFFAOYSA-N	249.423	4.512	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCCC)C1CCC1	2026075355	VHEUNYSNXBNQRQ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccccc1CN[C@H](C)CC(C)(C)C	2027903366	LKBQLRKDNPSWIZ-CQSZACIVSA-N	247.426	4.553	0	10	BJAE	
CCN[C@H](C=C(C)C)c1ccccc1CC(C)C	2028914218	DIYSUBCMCWTAKV-QGZVFWFLSA-N	245.410	4.502	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CC1(N)CCCCCC1	2029173460	GHMFDPVKUTYUFR-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CCC(Cc2cccc(N)c2)CC1	2031661810	ATYWKCDGTBAPNJ-UHFFFAOYSA-N	245.410	4.664	0	10	BJAE	
CCCNC[C@@]1(CC2CCCCC2)CC12CCC2	2032133641	FCNQEZAHRPPZIN-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC[C@H](Nc1cccc(C2(C)CC2)c1)[C@H]1C[C@@H]1C	2032243169	RFKQBLBPMHLYHU-RCBQFDQVSA-N	243.394	4.585	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2[C@@H]3CCCC[C@@H]23)CC1	2032780652	WOKPAFNINVCLCE-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2(C3CCCC3)CCC2)C1	2033049248	VTLNMIHKIDOKTI-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC1C(C)(C)C1(C)C	2034041034	AVYRMUKVHMJJAZ-UHFFFAOYSA-N	246.394	4.932	0	10	BJAE	
CC(C)(C)C1CCC([C@]2(N)CC23CCCC3)CC1	2036094295	CPBGWAOBASEPDK-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(CC2CC3(CC3)C2)C1	2036724333	LMEDCWNYOAKMPP-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1n1ccnc1C1CCCC1	2036777024	VHCVHLRALRSCNM-ZFWWWQNUSA-N	246.398	4.682	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCC12CCCCC2)C1CCC1	2037160622	LUBSBRSVGMZFDU-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC(C)NC[C@]1([C@H]2CCC(C)(C)C2)CC=CCC1	2037681658	HOMAOLGQUOUCQN-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C2CC3(CCCCC3)C2)C1	2037683538	SZYMVJFWVFNPAE-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@H]2CCC3(CCNCC3)C2)CCCCC1	2037732872	WGAZKNYZRQGJMU-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC2CC=CC2)CCC1(C)C	2037873002	YQVAYMLEKJLOHD-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CN(C[C@H]1CC12CCCCC2)C1CCCCCC1	2039045029	RSWSYEGXIMKYJZ-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@@](N)([C@H]2C=CCCCCC2)CC1	2039387672	YBNRVEHZBGTPPK-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@@H](N)CCC(C)(C)C1CC1	2039434671	LATPOVAPNRDURN-VNQPRFMTSA-N	249.442	4.523	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CN[C@@H](C)CC1CCCC1	2039453903	WJRLLJNRTMNKQK-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc2c(c1)CCCC2	2040720469	BGYHNCDGGSQCHT-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
C=CC=CCC[C@]1(O)CCCC2(CCCCC2)C1	2040763845	VIQGOQFSXIGBLP-KRWDZBQOSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CC(N)(CC2CCC=CCC2)CC1(C)C	2042334263	DXIIGXAXFRWISW-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC1C[C@@H]2CC=CC[C@H]2C1	2042346419	ZWPRIEMVGURJIR-ILXRZTDVSA-N	249.442	4.536	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1[C@H]2C=CC[C@H]1CC2	2042515807	AKKYTTSBEZIOCE-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)[C@H]2CCCC23CCC3)C1	2045392161	SEZMJKCVLDTVHQ-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1C(=O)[C@H]1CCCC(C)(C)C1	2045460785	SSOYTEBBZTVIOQ-AWEZNQCLSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CCCCC23CCCCC3)C1	2045523086	UZSWBNXOJYMJFE-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)[C@@H]2CCCC(C)(C)C2)C1	2045556729	CSNXNJMQSMCAFJ-NWANDNLSSA-N	248.410	4.764	0	10	BJAE	
C[C@H]1CCC[C@@H]1CN1CCCC12CCCCCC2	2046562068	NNOWQTLPAHOQGJ-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@H]1CC12CCCC2	2047015565	JWMGGWDXVXQCGO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CCC(N)(C[C@@H]2CC23CCCC3)CC1	2047017578	WSAGVUAKBRBDCS-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc2ccn(CC3(F)CCCCC3)c2c1	2047243165	NOUQYNQIRMYEMY-UHFFFAOYSA-N	245.341	4.622	0	10	BJAE	
CCC1([C@H](N)C[C@H]2CCCC3(CC3)C2)CCCC1	2049860497	VHZPHGPXTXOZQW-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)[C@@]1(C)C=CCC1	2050006537	NTXKHLULWVHSOJ-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@H](N)CC[C@H]2CCC[C@@H](C)C2)cc1	2050427193	AWLLHXDLFKCWCM-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
CCC[C@@H](C)CC[C@H](NCC)c1ccc(C)cc1	2050431560	RLHRSKIANICJBW-PBHICJAKSA-N	247.426	4.862	0	10	BJAE	
CN[C@@H](C[C@H](C)CCC(C)C)c1ccccc1C	2050460599	KPXKZNGPNZPHBX-PBHICJAKSA-N	247.426	4.718	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CCCC2(CCCC2)CC1	2051604441	LNXMDCOQJCAEDT-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@@H]2CCCCC23CCC3)C1	2053356340	DWLJKZHXDMRIAG-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
N[C@]1([C@H]2C=CCCCCC2)CCCCC12CCC2	2053416083	OLJHNNGIWBWBML-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)C2(C)CCC3(CC3)CC2)C1	2056535513	DWSJDRPZFPDCPF-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(C)(C(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2056535955	LGPTUPNQSOTRMQ-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](c1ccco1)C1(C)CCC(C)CC1	2056561748	BXAQMCYOOUHMMT-OGVSOVDVSA-N	249.398	4.537	0	10	BJAE	
CCCC1(C(=O)CC2CC(C3CCC3)C2)CCC1	2056676359	YEICCSMXIAAQOV-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1ccc(NC[C@H](F)C2CCCC2)cc1	2058032208	XFNBWEHCDDRCOD-INIZCTEOSA-N	249.373	4.750	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1ccccc1C1CCC1	2059262807	PAAQGFCLBHWHIO-RCAFFNEUSA-N	243.394	4.700	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)C1CCC(C)(C)CC1	2060925735	MRBABOAJHUSFLV-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C([C@]2(N)CCCCC23CCC3)CC1	2061118443	HDGKFUGAXRMIOF-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(F)c2cccc(N)c2)CC1	2061145884	BYYGJZYTVHNBSO-WBMJQRKESA-N	247.357	4.590	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)C1CC(=C2CCC2)C1	2061728742	NYJWQHNOTZJHSP-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNc1ccccc1C(C)(C)C	2062653149	QWKWQYCAIYTGJT-ZIAGYGMSSA-N	245.410	4.832	0	10	BJAE	
Cc1ccc(NCC23CCC(CC2)CC3)c(C)c1	2065301280	VGDKCMQIMHZTHH-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@]3(C)C[C@@H]23)cc1	2065657424	MWPZLMJTQJSHGV-ZMSDIMECSA-N	243.394	4.585	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2cccc(C(C)(C)C)c2)N1	2066382137	YZYFNBMIYYNHLQ-HZPDHXFCSA-N	245.410	4.577	0	10	BJAE	
CCNC[C@@]1(C[C@@H]2C=CCCCC2)CCC1(C)C	2068245376	PPDONDMUGAKISA-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCC1(C)CCC(N)(CC2C[C@H]3CC[C@@H]3C2)CC1	2068775029	ZWTGNZALOOSCON-NUWOQIAWSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@H]2CCC3(CC3)C2)CCC1	2071923070	YRBDLJVTOFODDZ-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)C[C@]23CCC[C@H]2C3)CCC1	2071949305	IYVOYBPGNJKNCK-SQWLQELKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H]1C[C@@H]2CCC[C@@H]2C1	2072422817	FFZQLQPLFAKVKJ-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1(C2CC2)CCCC1	2072425614	PPIDDADFXMNTQV-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC([C@@H](N)c2cc(C)oc2C)CC1	2072703126	VUMWCFVFNMUMHL-ZBCRRDGASA-N	249.398	4.503	0	10	BJAE	
CC[C@H]1CC[C@H](CNCCC2=CCCCC2)CC1	2072703981	HIYLJUNLKWQVPY-JCNLHEQBSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H]1CCCCN([C@H]2C=CCCCCC2)C1	2074796690	JQLJSDAGBDXJIS-IRXDYDNUSA-N	249.442	4.778	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N(C)[C@H]1C=CCCCCC1	2074809188	IYPCNPBRYMPMQM-IXDOHACOSA-N	249.442	4.776	0	10	BJAE	
CCC1CCC(N(C)[C@H]2CCCC23CCC3)CC1	2074861752	GSZOJBPMOLDLRT-GPANFISMSA-N	249.442	4.610	0	10	BJAE	
CCCN(C1CCCC1)[C@@H]1CCC12CCCCC2	2075012783	MANOAFKMNXOVHY-MRXNPFEDSA-N	249.442	4.754	0	10	BJAE	
CN([C@@H]1C=CCCCC1)[C@H]1CCCCC12CCC2	2075401395	MMHLFHUKYDSKIV-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
C1=C[C@@H](N2CCCC[C@H]2C2CCCC2)CCCC1	2075411103	PUBWYYPCPGKVQB-SJORKVTESA-N	247.426	4.530	0	10	BJAE	
CC(C)(C)C1CCC(=C[C@H]2CCNC2(C)C)CC1	2077976138	PCUKFVSIPRBZDQ-YSSOQSIOSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)C[C@H]2CC[C@H]1C21CC1	2078345823	ILTQPSRGOZZHBB-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@H](N)[C@@H]2C[C@H]2C2CCCCC2)CCC1	2079830492	BTOMWMBDUARNJZ-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C(=O)C[C@H]2C[C@@H]2C2CCCCC2)C1	2079841214	HMTOQORJDYDJFJ-IGDQZBHYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2C[C@@H]2C2CCC2)C1	2082981963	HSLLGDAFAXIXPF-BPLDGKMQSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CC[C@@H](C(C)C)C2)CC1	2085306982	FETKSYGPNWXENR-INMHGKMJSA-N	249.442	4.523	0	10	BJAE	
CCOc1ccc2c(C3CCCCC3)coc2c1	2086720851	ROTCFMXYNXKAQG-UHFFFAOYSA-N	244.334	4.879	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C(C)(C)CCC	2212116262	FWNNRVPKRFBROL-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)C(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213279795	LMSLSLMGBXLNTM-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
Nc1cccc(CCCCCCCC2CC2)c1	2213573005	CKSCTIJUYINEKA-UHFFFAOYSA-N	231.383	4.562	0	10	BJAE	
CC1(C)CC([C@H](O)CCCCCCC2CC2)C1	2213580715	NWAUFBINSJBUQH-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](N)CCCCC1CC1	2214570949	UCNWBSUTKJCJMR-JKSUJKDBSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC[C@@H](N)C1CCCCC1)CC(C)(C)C	2214774898	HPJYXMXMLQKFLV-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@](C)(CC[C@H]1C[C@@H]1C)CNC(C)C	2215242666	DJYORCWDTVDBHG-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(CC(=O)CC2(C)CCCC2)C1	2215436100	YSENBPXQQBNFOL-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CC[C@H]1CCCN([C@H]2C=CCCCC2)C1	2218170154	VASSMNDVUVFYLI-SJORKVTESA-N	247.426	4.554	0	10	BJAE	
O=C(CC=Cc1ccccc1)CC1=CCCCC1	2219096768	YVQCEUWWPWOTSI-UHFFFAOYSA-N	240.346	4.550	0	10	BJAE	
CCC1(CC)CC(N)(CC2(C)CC3(CCC3)C2)C1	2221017966	XPRUTHNRYVKKNO-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C[C@@H]2CCC23CCC3)C1	2221075759	JXLMALISAZKLBD-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
COC12CCC(CC[C@@H]3C=CCCCC3)(CC1)C2	2223621348	TYLGGRWQTNPGFD-KLAILNCOSA-N	248.410	4.862	0	10	BJAE	
CC[C@H](C)CC(=O)Cc1ccc(C2CCC2)cc1	2223634948	QLJYYLHUQQTVJE-ZDUSSCGKSA-N	244.378	4.502	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@H](C)c1ccc(C)cc1	2223968670	MENQXWBEFQJFJL-PBHICJAKSA-N	247.426	4.513	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)c1cccc2ccoc12	2224186029	CQKFOEBOMTVPQJ-DOMZBBRYSA-N	245.366	4.505	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CC1(C)CC(C)C1	2246451696	YXFKSMMEVUYNAV-GYTBAZASSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C1CCCCCC1	2247175608	KAEXJOQZQIQDME-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCSc1cccc(NC[C@@H]2CCC2(C)C)c1	2247391012	LFHJQKWHHBNGMK-LBPRGKRZSA-N	249.423	4.647	0	10	BJAE	
C1=C(CCCCCC2CCOCC2)CCCC1	2247497444	JQZWZWWEKVGGSF-UHFFFAOYSA-N	236.399	4.864	0	10	BJAE	
CC[C@](N)(CCCCC[C@H]1C[C@@H]1C)C(C)(C)C	2248870204	LNOCVTNIDXWTFT-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@](C)(N)CC1CCC1	2248879543	NIXCBEKEZJLULO-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)c1ccc(C2CCC2)s1	2250290447	UBDYGFXRNXRZJB-RYUDHWBXSA-N	248.391	4.635	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccccc1C1CC1	2250352156	JUKCRIRUYFBPHH-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@H](CC)CCC	2250359916	UNOHZFBCQXJLQC-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@@H]1C=CCCCC1)NC	2250367512	AFAOERXVOUROMQ-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@@H]1CCCCN1	2250472490	DRODNMPEEQJFJH-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(N)CC(C)C	2250514891	UFPNUMDLZQVFMI-HOTGVXAUSA-N	241.463	4.993	0	10	BJAE	
CC[C@H](C)[C@H](C)NCC[C@H](C)CCCC(C)C	2250526913	HFUFEEIPYCAFKM-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251710638	CROWPQQCNOONJU-QWHCGFSZSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](CCC1CC(C)C1)NCC	2251756339	ZYGOMNVFILVKGN-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
O=C1CCCC[C@@H](c2ccc3ccsc3c2)C1	2253080503	IMOCDEPTRDJNAI-GFCCVEGCSA-N	244.359	4.518	0	10	BJAE	
CCCC1(C[C@@H]2CN[C@H]3CCCC[C@@H]3C2)CCC1	2253815452	IZDWJHHQUIUSFI-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2CCC23CCC3)C1	2254963388	UJIUIYPKWYFVGQ-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](CNCC2=CCCCC2)CC1	2255105638	ZTPRNVPFRGGIJD-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC(=CC[C@@H]1CCCC12CC2)c1cccc(N)c1	2255258517	AEYZGANDTRWZEJ-HNNXBMFYSA-N	241.378	4.643	0	10	BJAE	
CCN[C@H](CCCCC[C@H]1C[C@@H]1C)c1ccoc1	2257258725	VYRCKMNKLBVKRT-OFQRWUPVSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@@]23CCC[C@H]2CC3)CC1	2260499998	HXZICYSSSVKOLM-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CN(C[C@]12CCCC[C@H]1CC2)C1(C)CCCCC1	2260572110	ZLWIJBVLNZVTJU-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@]1(C[C@@]23CCC[C@H]2CC3)CCCCCN1	2260658330	OMDIOGKLIIEZNA-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@]23CCCC[C@H]2CC3)CCC1	2260672708	PSTBJSAXYKXVNV-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)CC1CC(CNc2ccccc2F)C1	2261203932	WUNMUYSDKWPSHA-UHFFFAOYSA-N	249.373	4.700	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1C)CC(C)(C)CC	2298128725	PDOMVARMEHELDK-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@]1(C)C=CCCC1	2300681882	UCINNXJWPXQYMB-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@H](O)CC=C(C)CCCC(C)C	2300860739	KAIIYZLITPQMGJ-BZUAXINKSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1C[C@H]1CCC	2300883008	ZSGTVCVFLYTHHE-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC)CCC=C(C)CCCC(C)C	2300902368	TYUQKHMMPVVVOK-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCC(C)=CC[C@H](O)C1CC(CC(C)(C)C)C1	2300908016	YQGKOOLJSNEZJH-NRXISQOPSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@H](C)[C@@H](C)C(C)C	2301968521	RKRHGEJQBBYWLL-LSDHHAIUSA-N	241.463	4.814	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1C(=O)C1CCCCCC1	2303442781	NODMKWRLFRBOMW-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCNC2CCCCCC2)C1	2304361271	OUSYGDBBHQHBNC-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)C2(C)CCCC2)C1	2304413136	XTDWQVYMSXUEFY-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H](CC)C1CCCC1	2307746218	CALSAVQRMKKTAG-GOEBONIOSA-N	239.447	4.713	0	10	BJAE	
CC1(C[C@@H](N)C[C@H]2CCC[C@@H]3C[C@H]23)CCCCC1	2309960016	JOZUAXAZGQKMMW-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@@]3(C(C)C)C[C@@H]23)cc1C	2310123897	IYICHGFBLNTGNE-ULQDDVLXSA-N	243.394	4.540	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H]2C[C@H]2C2CCCCC2)N1	2311571552	JXVBPNSNEUJPHE-NCOADZHNSA-N	249.442	4.514	0	10	BJAE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2CCCCCCCC1CC1	2312600575	BZBIVKGYZIHTKM-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](O)c2ccc(C)c(CC)c2)CCC1	2314693364	AUTPDDLDABFVCT-INIZCTEOSA-N	246.394	4.561	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CC2CCC1CC2	2316505171	XVGNKPQHTYAMOO-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1[C@@H]2CCCC[C@@H]12	2316505313	ZDJSMAMHJTUHAU-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@@]12CCC[C@H]1CC2	2316999323	SFNAHCZLKWYIJQ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(C[C@H](N)CCC2=CCCCC2)CCC1	2317973671	FCXVQPWDKJRMRZ-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](CC)c1ccc(CC(C)(C)C)cc1	2318573344	QOYURTSDIRWPFB-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@H]1CCC12CCC2	2318591716	BDZWSRCEWMWCNE-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CCCC2=CCCCC2)C[C@H]1N	2318592957	OGMRAHMXIJEEMV-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)CCC1(C)CC1	2318595475	QAMDIZYMJCSBQV-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
N[C@H](CCCCC1CC1)CC[C@H]1CCCC12CC2	2318876106	NMSHLZGNHRYZJU-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H](CCC[C@H](O)c2ccccc2)C1	2319310200	AXOUACAHKCOVPW-ZBFHGGJFSA-N	246.394	4.717	0	10	BJAE	
Cc1ccc2ccn(C[C@H]3CCC(C)(C)C3)c2c1	2319325216	DBABMUHCBSWMML-AWEZNQCLSA-N	241.378	4.776	0	10	BJAE	
CC1CC(CCC(=O)CC[C@H]2CC[C@@H]2C2CC2)C1	2319694073	VGFUHGIIBVTDDS-IDQHFDBOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1N[C@H]1CCC12CCCCC2	2320173537	QAUCWWGNQHBADR-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@H]2CC[C@H]2C(C)(C)C)CCC1	2320245861	DSXGLUVTGZRFLY-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@]1(N)CCCCC12CC2	2320259490	VJAVETMRVNQDAO-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(N)C=CCC(C)(C)C2)CC1	2320335620	CONZMFISSUYLAM-DOTOQJQBSA-N	247.426	4.587	0	10	BJAE	
Cc1cc(C)cc(NCC[C@@H]2CCC(C)(C)C2)c1	2321528700	KDRAAYMVWUJONN-HNNXBMFYSA-N	245.410	4.932	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)CC[C@H]2C[C@@H]2C)c1	2327783044	YAJQQCSMGXQEEW-GRDNDAEWSA-N	246.394	4.588	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)c1ccc(C)c(C)c1	2328189420	IOYKFBBTPGSRIO-RDJZCZTQSA-N	247.426	4.694	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1cc2ccccc2o1	2328212026	CYVBJVSAHQHPMB-OCCSQVGLSA-N	246.350	4.683	0	10	BJAE	
Cc1cc([C@H](C)Nc2ccccc2C)c(C)s1	19986876	QLVVAEXBXOKVOE-LBPRGKRZSA-N	245.391	4.846	0	10	BJAE	
CCCCN[C@@H]1CCCC[C@H]1C1CCCCC1	34994626	NRRPKUKNWVKCMA-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
c1ccc(-c2ccc(NC3CCCC3)cc2)cc1	37056947	PGYCNRGMVBYDPH-UHFFFAOYSA-N	237.346	4.708	0	10	BJAE	
CCN[C@H](CC(C)C)c1cccc2ccccc12	54439270	QOGNPJGSUZGPCL-QGZVFWFLSA-N	241.378	4.537	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC[C@H](CC)C1	71117993	QTJRTZHIHVKIJH-HOCLYGCPSA-N	245.410	4.938	0	10	BJAE	
CCCC[C@@H](CC)CNC1(C)CCCCC1	71126304	IXSFLCZHMNLNMB-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1	83520785	ZZGDIEBMLQRYSD-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H](O)C1CCC(C)(C)CC1	83778633	NPCKPVKVDJAJEW-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)[C@@H]1CCC[C@H](CC)C1	84400718	URIMAEKJXLQSJC-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(NC2C[C@H](C)C[C@@H](C)C2)c1C	84462652	AITIFIGRCIAVLD-VXGBXAGGSA-N	231.383	4.540	0	10	BJAE	
C[C@H](C(=O)O)C1CCCCCCCCCCC1	94064830	IAYHEAJJFYJHJI-ZDUSSCGKSA-N	240.387	4.628	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC2(C)C)c(F)c1	94275182	HMDVNFOWIFNLCW-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
C/C=C\CCc1ccc(Cl)c(Cl)c1	107563151	MRPVGIJPJNPBIM-IHWYPQMZSA-N	215.123	4.502	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)CC2CCCC2)cc1	109785479	YUMKXCWBLIVKPS-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
CCCCCC[C@@H](NCC)c1ccccc1C	110446528	MCVWQZJBRVJIRE-MRXNPFEDSA-N	233.399	4.616	0	10	BJAE	
CC[C@H](C)/C=C(/CNC(C)C)C1CCCCC1	125572708	IRWBDWCXAAJEGY-HNDQUVLASA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@H](NCC)c1ccsc1	129265569	BCMBQXIRTYLPNQ-AWEZNQCLSA-N	239.428	4.615	0	10	BJAE	
CCC[C@@H]1CCC[C@H](Nc2ccc(C)nc2)CC1	164814519	GSLJSAUCDWELRU-CABCVRRESA-N	246.398	4.551	0	10	BJAE	
CCC[C@H](C)CC(=O)c1c(C)cc(C)cc1C	165069638	YHMARHUOZGFRGY-NSHDSACASA-N	232.367	4.621	0	10	BJAE	
CC(C)CCC[C@H]1CCCC[C@H]1CNC(C)C	166350660	MOVWUICZQKRYJP-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)c1ccc(C)c(C)c1	167279452	AVONSNDNYYGOFW-SUMWQHHRSA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(C2CCCCCC2)C1	167674221	CHACXSYMDZKPNV-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H](C)C2)CC1	226512120	XMLGUOQUPPOWMJ-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)c1cccc(C)c1	229298277	CNOUNCFVDFUSSI-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCC(CCC)[C@@H](O)CCCc1ccccc1	229333762	NZTZMJPPPIRVCI-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H]1CCC[C@@H](C)C1	233548975	VURGWTQFVPFNDI-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](C)C(=O)c2ccccc2)C1	252909103	ZHDVWSRXYNQGIL-SQWLQELKSA-N	244.378	4.722	0	10	BJAE	
CC(C)(C)[C@H](F)c1ccc(Br)cc1	258818076	KTQZONNDSJUPCP-SNVBAGLBSA-N	245.135	4.506	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)c1cccs1	300807054	FJPRLXJGHSNUEQ-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@@H](C)C(=O)CCC1CCCCC1	300901229	IYVLWQGBVMHCHR-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)c1ccc(C)c(C)c1	302312176	GAWBLLGTRKWFFT-YOEHRIQHSA-N	247.426	4.780	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@H](C)CC2)cc1C	302362059	YHEGFWMVETVHIF-BBRMVZONSA-N	245.410	4.938	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cc2cc(C)ccc2o1	305986409	IPISVQWVLDMKRP-BLLLJJGKSA-N	245.366	4.567	0	10	BJAE	
CC1(C(=O)c2ccsc2Cl)CCCCC1	306253703	KWAUGIGFEDOWBS-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(O)CCCC(C)(C)C2)C1	310102397	BWGMQXQFAVKYQV-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)NCC[C@@H](C)C[C@H](C)C1CCCCC1	310377653	AIVNZRFAIOLRBI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@@H](NCC)c2cc(C)cc(C)c2)CC1	310764356	LCPXOXCZLZBBHV-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H]1NCC12CCCCCC2	311048916	HYEYCCULYWTMSP-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)c1ccc(C)cc1	311061980	ITEJPEJUSGUAKT-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H](C)C[C@]1(CNC(C)(C)C)CC=CCC1	317118027	GYJMNQZIYMXKBO-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](c1ccc(CC)cc1)[C@@H](C)[C@@H](C)CC	319100268	DZCQLYAVYSBFID-ZQIUZPCESA-N	247.426	4.582	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cc(C)cc(Cl)c1	320230713	VDZSHOONBNRTFL-QWRGUYRKSA-N	238.758	4.513	0	10	BJAE	
CCC1(CC2(CN)CCC(C)(C)CC2)CCC1	380089900	UQWCMBFKMFSSMC-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
C[C@H](N[C@@H]1CC2CCC1CC2)C1CCCCCC1	381978336	ANOHRCVOWKVJHY-VFNXUKNFSA-N	249.442	4.514	0	10	BJAE	
CC(C)CC[C@@](O)(CCC1CCCC1)C1CC1	383086991	VUWRQYHPNZMGQL-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCC[C@@H](C)C1	383158897	PTSXLAFMZVZEHB-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)[C@@H](C[C@@H](C)C1CCCCC1)NC	383747010	DFNUCVJFRJZTIC-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC1(C(=O)C[C@H]2CCC[C@@H](C)C2)CCCC1	383760494	DRGDVPGPMLJDOW-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H]1CCCC[C@H]1C	384689980	WRCKPBUAELMRMY-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)C(C)(C)C	384854159	MJIFWYLURCFSKK-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC/C=C\CN[C@@H](CCCCC)c1ccccc1	384982778	JQTLKFNSTQSTGK-KOJMWDNASA-N	245.410	4.864	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cc(N)cc(F)c2)cc1	387352931	YUDXIAHCUKFHAU-LLVKDONJSA-N	243.325	4.588	0	10	BJAE	
CCc1c(C(F)F)cc2ccsc2c1CC	396215124	BYYVXDCRPZPDHQ-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
COc1cc(C(F)F)c2scc(Cl)c2c1	396288114	LBDYHZGTFLXDRB-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
COc1c(C(F)F)ccc2c(Cl)csc12	396288580	MOHIUHUPMMHZQF-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
Cc1c(S)sc2ccc(C(F)(F)F)cc12	396308276	ROCQYHGGFYDCMU-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCN[C@H](CCC1CCC1)C1(CC)CCCC1	398898994	HBTAJXCKOQIXBN-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)C1(C)CCCCC1	402141234	JCDHKSJEOYTGEQ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@H](O)c1coc2ccccc12)C(C)(C)C	404664586	YESXHFREZKAJKR-RISCZKNCSA-N	246.350	4.539	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@@H](C)C(C)(C)C	405733102	MNVAMNFBUDQJFN-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](Nc1ccc(C2CC2)cc1)[C@@H]1CC1(C)C	690135337	MNESZKKYSXZOIE-HOTGVXAUSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc(NC[C@H]2CC3CCC2CC3)c(C)c1	691723463	QGEHTAHYLIEBHA-UYSNPLJNSA-N	243.394	4.542	0	10	BJAE	
Cc1cc(C(=O)CC2(C)CCCC2)cc(C)c1F	694916519	LCPGJPDGXSMJMA-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCC[C@@H](NC[C@@H]1CCCC2(CC2)C1)C1CCC1	695716989	NNNKJGPUJDYTSF-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCOc1ccc(NCCC(C)(C)CC)cc1	696688897	VZZFYXPQRACSGG-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CCCN[C@H](CCC)[C@]1(C)CC[C@H](C)C1(C)C	699096662	NMFUUSNEJBJGNP-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C(C)(CC)CC	701148509	PPFDISFBCVKBFH-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C(C)(CC)CC	701197109	DWZGKKGPOUQNAB-ZIAGYGMSSA-N	227.436	4.602	0	10	BJAE	
CC(C)CCCCNCC[C@@H]1CCC[C@H](C)C1	703953799	FNGAGAHVKYGQNG-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCCc1ccccc1NCCCCC(C)C	703999684	ZZKIRNCXZUULPR-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CCC(C)(C)C[C@H]1C	704474876	UYUMQWDJWBRPQU-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCCCc1ccc(Cl)s1	704614385	VZZNRXXSIFCJLV-UHFFFAOYSA-N	214.761	4.690	0	10	BJAE	
CC(=O)c1cccc(S[C@@H]2CCCC[C@@H]2C)c1	704910994	YCRDPQOXOGFEAV-XHDPSFHLSA-N	248.391	4.560	0	10	BJAE	
Cc1ccc(Cl)c(O[C@@H]2CCCC[C@H]2C)c1	704912975	KAIIXMRTJZNMHN-DGCLKSJQSA-N	238.758	4.606	0	10	BJAE	
C[C@H](C[C@]1(N)CC[C@H]2CCC[C@@H]21)C1CCCCC1	707880673	POCPHOJRVFHZQE-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H](C)C(C)(C)C)CC1	710753132	LOQRIOLAOWUIRO-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@]1(C[C@@H](C)C(C)(C)C)CCCCCN1	710766276	MWXXGQKCKPFABU-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C/C(=C\CCNCC(C)C)C[C@H](C)C(C)(C)C	711179858	AHFZNUSPCUYIAE-HNRFISLBSA-N	239.447	4.641	0	10	BJAE	
CC[C@@H](C[C@H](CC1=CCCC1)NC)C(C)(C)C	711197885	ZQZYSLVTWSSDCL-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@]1(CCC(C)(C)CC)CCC[C@H]1C	711297710	BZXYWEFKGQZURV-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C[C@]1(O)CC(C)(C)CC[C@H]1C)C(C)(C)C	713047015	KTBJLOHBSOLCKE-IOASZLSFSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)C1CCC(C)(C)CC1	713145902	OLQOOYZBVKIKOC-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCCC[C@H]1C(C)(C)C	713239679	AJNZZACHWPJICP-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
C=C/C=C/CC[C@H](N)c1ccccc1C(C)(C)C	713750130	SHXJDOJPYJBVRI-MOEXGYKKSA-N	243.394	4.506	0	10	BJAE	
C=C/C=C/CCc1ccc2ccccc2c1	713753758	SDDDOYWSLAMLHB-ONEGZZNKSA-N	208.304	4.515	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](NC2CCC=CCC2)C1	718052723	MEAQTKAELSTHTN-RDJZCZTQSA-N	249.442	4.680	0	10	BJAE	
CCC[C@@H](C)[C@H](CCC(C)=C(C)C)NCC	718575334	YXGBERGLORJVAF-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CC(C)CCCCCCNCC1CC(C)(C)C1	723593575	RLIQYJNMNFYSLG-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
c1cc2c(cc1SC1CC3(CCC3)C1)CCC2	1640816678	ZTVMDVYTPIGDAV-UHFFFAOYSA-N	244.403	4.600	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1	1657218501	UZSJANLSHBEWHR-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cc(C)c(C)s1	1900690341	FOVMOJKHRZNDRB-CYBMUJFWSA-N	239.428	4.581	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Oc1cc(F)ccc1Cl	1901618905	QYOOELVSPCFRLP-VHSXEESVSA-N	244.737	4.539	0	10	BJAE	
CCC(O)(CC)CCC[C@H]1CCC(C)(C)C1	1903416940	FFGOLFKSFBTUFA-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H](CC)CCC	1905430986	GDUZTWMFKDXZTD-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@]12CCC[C@@H]1C2	1909390044	WNSAPSQQXORIAV-FMKPAKJESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1C[C@H]1C1CCCC1	1910705766	GGTRUEOGDZBXHB-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCCC1CC1)C1CC2(CCCCC2)C1	1912627342	XGQFWOBMOMMSJW-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)CC[C@@H]1CC1(C)C)C1CCCCC1	1924106175	BZQKQZJAFNLXJC-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC1CCCCC1)NC[C@@H]1C=CCCCC1	1925886236	CBKDBDNSQGNJAA-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(CNC[C@H]2C=CCCCC2)CC1	1925942229	GGMXFIKIQKHYOD-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1C[C@](N)(CC2(C)CCCCC2)CC[C@H]1C	1940407183	OVZKGNHOEMKZGY-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(C(=O)CCC2(C)CC2)c1	1940796330	JCYAOKLJBLKCOU-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CN[C@H](CCC[C@@H]1CC1(C)C)CCC(C)(C)C	1940872997	PQCAKLDEPFYPJQ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1ccccc1NCC[Si](C)(C)C	1941332107	VXHJHTGDLMSFQW-UHFFFAOYSA-N	249.474	4.734	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(O)CCC1CCC1	1941472490	AMXHAUQEXXVNFO-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N)c(SCCCCCC2CC2)c1	1941574950	HWSHHCCISVFEJA-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)CC1CCCCCC1	1942651795	ALQQKRGRXPLHSB-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CCC(C)(C)C[C@@H]1C	1942665661	ZOWAEOUYWMTTRH-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H]1CCC(C)(C)C1	1945577846	AFYMZEIIKANXMW-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
Cc1cccc(NCC(C)(C)C2CCCC2)c1	1946173960	YCZMIEGURJOMKM-UHFFFAOYSA-N	231.383	4.623	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CCC1CCCCC1	1947469587	RBBSMIQTTOPBRC-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2CC3(CCC3)C2)s1	1949743056	WDZUBRMILRERLH-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CC(C)C[C@@H](C)[C@]1(CO)CCCC(C)(C)CC1	1950911309	NPCIJODIIHRBAU-GDBMZVCRSA-N	240.431	4.638	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@@H]1CCC[C@@H](C)CC1	1950921696	IBZQFZGTDCLAFP-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCC[C@H](C)CC1	1950925240	RLZZHKARDKCAEJ-ZFWWWQNUSA-N	236.399	4.908	0	10	BJAE	
CC(C)=CCCC[C@@]1(C)CCCC1(F)F	1960757495	QSOJMHQTECPOOD-LBPRGKRZSA-N	216.315	4.948	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@H]2C=CCCC2)cc1	1962889574	JBQWHEUYQGXYKR-YOEHRIQHSA-N	243.394	4.569	0	10	BJAE	
C[C@@H]1CC(NC2CCC3(CCC3)CC2)C[C@@H](C)C1	1965978973	SHWWSDBGQGJIPZ-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
C(CCC1CC1)CCN1CCCC2(CCCC2)C1	1966235177	DFJIMPHXYLDCFT-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCC[C@H](NC[C@]1(C)C=CCCC1)[C@H]1CC1(C)C	1967836133	BADLXJDFYZUJLW-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1NCC[C@@H]1CCC[C@H](C)C1	1968253229	ZBUOMRMAPBWSEX-ZFWWWQNUSA-N	231.383	4.623	0	10	BJAE	
Cc1ccc(NCC2C[C@@H](C)C[C@H](C)C2)c(F)c1	1968326555	JRXFAUOBMZKVEU-STQMWFEESA-N	249.373	4.618	0	10	BJAE	
CC(C)c1cccc(NCC2[C@H]3CCCC[C@H]23)c1	1968408087	MUNFQXYAVPAYME-HOTGVXAUSA-N	243.394	4.658	0	10	BJAE	
Cc1ccc(-c2nc(C3CCC3)cs2)c(C)c1	1968437122	XMRBAEXSFCWNKH-UHFFFAOYSA-N	243.375	4.694	0	10	BJAE	
C[C@@H](N[C@H]1CCCC2(CCCCC2)C1)C1CCC1	1969750845	ZXPKUGXOHSAGNG-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(CN2CCCCCCCCC2)cc1	1970124770	DMJMCTWOOBNGCS-UHFFFAOYSA-N	245.410	4.541	0	10	BJAE	
C[C@H]1CC[C@@H](CNc2cccc(C3CCC3)c2)C1	1971535782	XCIRMBVBVMAWBA-UONOGXRCSA-N	243.394	4.802	0	10	BJAE	
CCCC(C)(C)CN[C@H]1CCCC12CCCC2	1973163327	CINPQHGQDOBKCQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCC[C@@H]1C1CC1	1973479666	RCMXLVMZVGOFDO-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](CC)(CC=CCl)CNC(C)C	1978650328	ILUUJVZDMALINQ-AWEZNQCLSA-N	245.838	4.714	0	10	BJAE	
CC=CC[C@](C)(CCCC)CNC(C)(C)C	1978654889	ONQXABISYDGVRV-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
Clc1ccccc1CCC1CC(=C2CC2)C1	1985536126	DFJJYAPLWRXDDI-UHFFFAOYSA-N	232.754	4.773	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)[C@@H](C)CC(C)C	1995261202	BWSYHRLJILXTOF-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
c1sc(CC2CCCCC2)nc1C1CCC1	1995470627	ZUAJVPZBKORNDX-UHFFFAOYSA-N	235.396	4.533	0	10	BJAE	
CCC(CC)CN(C)[C@H](C)C1(C)CCCCC1	1995970086	GCFZILGZSASOCQ-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CC[C@H](N[C@H](C)C(C)(C)CC)C1CCCCC1	1996588580	HFRIOWOCMBVSKK-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
CC[C@](N)(CCCC1CCC1)C1CCCCC1	1996590446	VZQXFBCILDGBFD-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCCC(=O)C[C@H](C)C1CCCCC1	2000192721	ZIEVEXWMSBXSTO-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2CCC[C@@H](C)C2)CCC1	2000196357	HNOVCXMPZQFYSJ-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)[C@H](CC[C@H]1CC1(C)C)NC	2000324183	QFCBXFYRFJKDNE-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@](CC)(CCCC)CNCC(C)C	2000506252	ZYTXQUMZEBOLLO-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CCCCCC[C@]1(CNCC)CCC12CCC2	2001851311	MOJRXLYWMLUUEB-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CCC1CCC([C@H](C)NCCCC(C)C)CC1	2002922494	AARWPBSJZKARNH-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)[C@H]1CCC[C@@H](C)C1	2003007121	PCSPDJRQBRWAJK-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H]1CCCCCCC[C@H]1N	2003112016	QOGRFTHHLTWGFU-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCC[C@H](N)c1cccc(C)c1	2003646926	RXYJLFUSULBYTH-INIZCTEOSA-N	231.383	4.521	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@H]1CC=C(C)C	2004228801	XYFOQSPJFUGBLG-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@@H](CCC(C)(C)CC)C1	2006623244	HZMGVGFCMROUOK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1ccsc1[C@H](C)Nc1ccc(CF)cc1	2007031930	UOJDOLZAHNEQEY-NSHDSACASA-N	249.354	4.699	0	10	BJAE	
CCCC[C@@H](CCC1CC(C(C)C)C1)NCC	2007748270	BKMFPCHFCIEKOP-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
O[C@@H](C=C1CCCCC1)C1CCCCCCC1	2007926382	NXYNBYFSRDAVOS-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](C=C1CCCCC1)NC	2007942310	IVPYKEUPVBCXMZ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](C[C@H]1CC1(C)C)NCCC	2009626322	DSXWWBURXRCXCV-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@]1(CNCC)CC[C@@H](CC)C1	2009626383	FAZKOBFPUGIOND-YFWHOBGESA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CCC[C@@H](CC)CC2	2009771091	LICSNTUEGAJAHD-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C1=CC[C@H](C)CC1	2010621909	CQWJHTFYVTVFLL-OFQRWUPVSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@H](N)CC1=CC[C@@H](C(C)(C)C)CC1	2010728792	IVPNVTRZGFDSHF-NWANDNLSSA-N	237.431	4.523	0	10	BJAE	
CCN[C@@H](CC1=CCC(C)(C)CC1)C(C)(C)C	2010765349	AIALDRNKDXIVKI-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](C[C@]1(O)CCCCCC12CC2)C(C)(C)C	2011278315	RVYNXEPOYFREBS-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011983037	NTTGKXDDFUNPJW-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C(=O)CC12CCC(CC1)CC2)C(C)C	2012804433	SBELRXOLCHTSGY-NPCAHTBFSA-N	236.399	4.598	0	10	BJAE	
CCCCN(CCCC)CC1(CCC)CCC1	2015592513	LNYPADMKFSFCAH-UHFFFAOYSA-N	239.447	4.859	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@@H](CC)C2)CCC1	2015642945	WHMMEYHPZXUTQG-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](CNCCC1(C)CCCCC1)C(C)C	2016111984	JMHWEJXHMAIUCU-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CC1(C(C)C)CCC1	2017116841	NWKJTLBAWIJLIK-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCC[C@](N)(CC2(C(C)(C)C)CCC2)C1	2017147806	HRACKWLVZGGUPV-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C2(C)CCCC2)CC1	2017771622	XXLTWEGJRFWCQK-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@]12CCCC[C@H]1C2	2018579890	BDZMMJGRXFCELY-HRCADAONSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@H]2CCC(C)(C)CC[C@H]2O)CC1	2018974863	HYBXXTLWKWVOKU-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(N(C)[C@@H](C)CCC(C)C)CC1	2019163548	ZGSWUHIWVLMPJC-FHERZECASA-N	239.447	4.712	0	10	BJAE	
CC(C)CCCCCN1CC(C)(C)CC[C@@H]1C	2019341767	DMBFKZJUQWAFCZ-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCCN(CCC(C)(C)CC)C1CCCC1	2020539322	NKARIUOVXNOSBW-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCCCC(C)(F)F	2023280136	VKMKEVQNOUWIQB-ZDUSSCGKSA-N	249.389	4.746	0	10	BJAE	
C/C=C/CCCc1ccc2c(c1)CCC2(C)C	2023651361	RWYKRMWOIOGCBL-SNAWJCMRSA-N	228.379	4.809	0	10	BJAE	
CC(C)C[C@H](C)C(=O)Cc1ccccc1C(C)C	2027509218	JZXLBYHMUDPENX-AWEZNQCLSA-N	246.394	4.604	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1ccc2ccccc2c1	2028267438	ZJTXIBUNFUBLBR-DLBZAZTESA-N	241.378	4.522	0	10	BJAE	
CC(C)CC[C@@](C)(N)c1ccccc1C1CCC1	2028548395	CVWVWZFVYSFNTR-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@H](CCC)c1ccc(C2(C)CC2)cc1	2028596798	GJUAKZDLKCMNCQ-MRXNPFEDSA-N	245.410	4.579	0	10	BJAE	
CC1(C[C@H](N)[C@@]23CCCC[C@@H]2CCC3)CCCC1	2031757193	GSIHIWCFBPFXQM-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@]12CCCC[C@H]1CCC2	2031803734	GTMKZECNWSVOMX-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
O=C(C1CCCCCC1)[C@]12CCCC[C@H]1CCC2	2031848114	CWDITNKFIZHTME-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
O=C1[C@H]2CCCCCCCC[C@@H]2C12CCCCC2	2035891464	WEJHWHBZGHUCEG-GJZGRUSLSA-N	248.410	4.886	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@H]1CC=CCC1	2037161491	DMRFETDTZXISJJ-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CCc1ccc([C@@](N)(CC)C(C)(CC)CC)cc1	2037217023	WRWKFWCIXJYGSY-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC[C@](N)([C@@H]1CCC2(CCCC2)C1)[C@@H]1CC1(C)C	2037587950	UGHZOVYAHYQRJC-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)[C@H]1CCC2(CCCC2)C1	2037679641	SSWKTNMKURTKRE-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC2(CCCC2)C1	2037705516	VHNWWAXLAWVEKH-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](N[C@@H]2CCCCC23CCCC3)CCCC1	2039030944	ABELOYDNKWUCEO-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
N[C@H](C1=CCCCCCC1)[C@@H]1CC12CCCCC2	2039079632	SOWFTGZXZKXODL-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CCCc1ccccc1NC[C@@H]1CC12CCCC2	2039092843	SJZXHPHPMZWRHE-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
Cc1cccc([C@H](N)[C@@H]2CCC[C@H](C)CC2)c1C	2039369336	IOSKPQKVZMZABG-XGWLTEMNSA-N	245.410	4.520	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNc1ccc(F)cc1C	2039446487	GYGHUSFUMKSHFR-SWLSCSKDSA-N	247.357	4.538	0	10	BJAE	
CC(C)C1(CN[C@@H]2CCCC3(CCC3)C2)CCC1	2041293378	OUFKVIZVEMAUKJ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]([C@@H]1CC=CCC1)[C@H]1CCC[C@H](C)C1	2042019519	OTIGRCYOMQIRPM-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H](C)C1)[C@@H]1C=CCCC1	2043185990	AYPIHBDVJBBKSN-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H]1CCCCC1(C)C	2043193063	FUFWXEQFNIOAQT-ZBFHGGJFSA-N	249.442	4.824	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C)c([C@H]2CC2(C)C)c1	2043819662	AKIPGALREFZMCE-XJKSGUPXSA-N	245.410	4.569	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2CCC=CCCC2)CCC1	2045314316	IUGJSDZKPSQEMG-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H]2CCCC(C)(C)C2)c1	2045461285	ZJXDVBUTAKPDAK-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CCC[C@@H]2C2CCCCC2)C1	2045523364	XTUXVLZKXUISFS-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
O=C(C1CCCCC1)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047424575	MMJBIBXSMNRNKG-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)n1C[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047448155	RIQZLKJJIPISKS-IKGGRYGDSA-N	245.410	4.711	0	10	BJAE	
CCC1CC([C@@]2(CNC(C)(C)C)CC=CCC2)C1	2048630694	NAIWKSQRNUYYOQ-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@]2(N)CCCC[C@@H]2C2CCCCC2)CC1	2048878923	DFNWKWJAWSQQFG-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2ccccc2C2CC2)CC1	2049638317	MULYGPWGIDWYRH-MQMHXKEQSA-N	242.362	4.573	0	10	BJAE	
CCN[C@@H]1CCCCCCC[C@@H]1C[C@H]1C=CCC1	2049706085	YACHQNLJAWTMMR-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)[C@]1(C)C=CCC1	2050001521	YSVBLSAYDYZIEU-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@H](O)CC[C@@H](C)CC(C)(C)C)c1	2050442135	SYHGWWNHVIZOPM-GDBMZVCRSA-N	248.410	4.881	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)C2CCC3(CCC3)CC2)C1	2051644838	HQPCMHHQHXEJBO-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)C1(C2CCC2)CC1	2051910286	WBQWSXAGULCYKF-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)[C@@H]2CCCCC23CC3)CC[C@H]1C	2053359543	SDQNUJHVWWYXRA-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCC2)CCCCC1(C)C	2053393728	JZZMAKDGANMHAU-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC1(C(=O)CC2CC(C3CC3)C2)CCCCCC1	2056666840	WYQBRKYRSZHEJG-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@H](C)C2CC2)c1C	2057356209	BMVKKCRVPUZOLY-LBPRGKRZSA-N	244.378	4.539	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2CCC=CCCC2)CC1	2059002415	DZBBCPPBIQOGAU-JYJNAYRXSA-N	248.410	4.908	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1CC[C@@H]2C[C@H]12)NCCC	2059268222	WMNHOXMYWZAAKI-UFXMREIHSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2059392507	SCGTVXBFBXBYIK-QZRVTLOJSA-N	249.442	4.514	0	10	BJAE	
c1cc(C2CC2)ccc1NCC[C@]12CCC[C@@H]1C2	2061573130	VUQVMBOCVZWXBS-WBVHZDCISA-N	241.378	4.556	0	10	BJAE	
CN(CC[C@]12CCC[C@H]1C2)C1CCCCCCC1	2061625339	DHAHMMOWTGLSAM-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C1CC2(C1)CC(C)(C)C2	2062632473	XYQMWXYIOPPUIO-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063517415	TYUMAYBOUXQVJD-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2[C@H]3CCCCC[C@H]32)CCCC1	2067531012	VZAXTGOGRSFWRL-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)C1(CC2CC2)CCC1	2069511975	WZTFWWPDGUYFHI-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@@H](N)C2(CC3CCC3)CC2)CC1	2069567765	VWVOFBIXALFZOW-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1(C2CCCC2)CC1	2070400791	YIHXZZATAONTBR-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2CCCC23CCC3)CCC1	2071912501	GMBMRHRWYIFBTN-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)[C@H]2CC=CCC2)CC1	2072793697	MPRYVJHUQOOOJN-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H]2C[C@@H]2C2CC2)CC1	2072877555	IIVDAGMOVGYJQD-GMEATFMZSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1C[C@@H]1c1ccccc1	2073340795	HRFDRNKIKIGUFW-BRWVUGGUSA-N	246.394	4.512	0	10	BJAE	
C1CCC2(CC1)C[C@H](CCCC1CCC1)CCN2	2074138309	IRJNSXIGADLQGK-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)([C@H]2C=CCCCC2)C1	2075373136	MEMPDZTUZANDPF-AWEZNQCLSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CCCCC12CCCC2	2079869681	GOFPPYBVWHFKOF-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1C[C@H]1C1CCC1	2081785278	KLUJAQOOKXJDPW-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2C[C@H]2C2CCCCC2)C1=O	2082843899	QKEXFMBVJBSZEK-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)CC[C@@H]2C2CCC2)C1	2082978487	HKCWLIVWMBFOGP-LXZKKBNFSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1scc(C)c1C	2210567258	HHPZKZAKWBZGLX-ZDUSSCGKSA-N	239.428	4.581	0	10	BJAE	
CCN[C@@H](CCCCCCC1CC1)[C@H](C)CC	2213574300	RQIDZLOXYTYVOG-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@H](O)CCCCCCC2CC2)C1	2213581019	RPDPVNJJOJZNLA-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@@H](N)C1(C)CCCCCCC1	2215258886	VXIHBZRIJFHAMX-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@](C)(CN[C@@H](C)CC)C1CC1	2217134430	GHRAVCKKQJLOKC-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218329170	AVGQJLRRGFACLO-ZSHCYNCHSA-N	248.410	4.908	0	10	BJAE	
C(CCCC1CC1)CCNC[C@@H]1CC12CCCC2	2218720589	KKGDKSNPIWTJMG-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
Cc1ccccc1N(C)CCCCCCC1CC1	2218731696	LQTWNJVPMIXAQI-UHFFFAOYSA-N	245.410	4.792	0	10	BJAE	
N[C@H](CCC1[C@@H]2CCCCC[C@@H]12)C1CCCCC1	2220305085	JZXRTOWYKSIJDB-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNC1(C2CCCCC2)CCC1	2220925455	QSUYWWLVACKWHB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]1CCOc1ccc(C(C)(C)C)cc1	2220960512	MJSGDSNWSGSYOA-KBPBESRZSA-N	246.394	4.799	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)CCC(C)(C)C2CC2)CC1	2221618045	FPCNQTGACWRITQ-DOTOQJQBSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](C[C@@H](N)c1c(C)cccc1C)C(C)(C)C	2222014493	RPWFNRWZRDJRLT-LSDHHAIUSA-N	247.426	4.766	0	10	BJAE	
CCN[C@@H](CC)CC[C@H](C)CCCC(C)C	2244836781	LDLCZKCZDJIEGQ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC(C)=C(C)CCCCc1ccc(F)cc1	2245899476	RPHAKGFDVVQMEN-UHFFFAOYSA-N	220.331	4.895	0	10	BJAE	
Cc1cc(C)cc(OCCCC[C@H]2C[C@H]2C)c1	2247121083	PECUFEIFRAAZBM-CABCVRRESA-N	232.367	4.509	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CCCCCC[C@H]1O	2247164712	KCEFSGOUIMDOIS-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCCC[C@H]1C[C@@H]1C	2247167104	WNNHIKAZPSYWOJ-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@](C)(CN)CC[C@H]1CCCC12CC2	2247586169	LYNGAYMUPQMHLL-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](C)(N)CC1CCC1	2248879544	NIXCBEKEZJLULO-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCC(C(C)C)C(C)C	2250353579	WECDDOHVDGKLEE-HOCLYGCPSA-N	241.463	4.848	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)C1(C)CCC1	2250467894	XNYFJESMVNSIOX-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC(=CC[C@H](C)CCCC(C)C)[C@H]1CCCN1	2250514064	LZOPVAVXSYHUFB-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)CCC(F)F	2250516347	HWJAEYRQURLXQO-QWHCGFSZSA-N	249.389	4.602	0	10	BJAE	
Cc1ccc(C(=O)C[C@@]23CCCC[C@H]2CC3)s1	2251157275	HCYOCTJZTILMDS-WFASDCNBSA-N	248.391	4.600	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@@]12CCC[C@H]1CC2	2251161964	ISTWAVGXXFEKTC-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@]12CCC[C@H]1CC2	2251162873	NNQDPWQTNWVWKZ-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@]12CCC[C@@H]1CC2	2251162874	NNQDPWQTNWVWKZ-ZBFHGGJFSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCC1CC(C)C1	2251752322	FOMCJLWEKUJANA-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)CC1(C)CC(C)C1	2253653923	HDXSWZDOHPMGPV-VFNXUKNFSA-N	249.442	4.667	0	10	BJAE	
N[C@@H]1CCCCC[C@@H]1CC[C@H]1CCCCC12CC2	2253820450	KWFGFIGBQRYJNZ-BZUAXINKSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C=C(C)C)C[C@@H]1CCCCC12CC2	2253834031	VMQPAQUQNJJDKR-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(CC[C@H]1CCCCC12CC2)C1CCC1	2253855858	PJCWXGZMQCXBDO-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc([C@H](O)CCCCC[C@@H]2C[C@@H]2C)c1	2254541516	AFIPTAARRSWKEB-ZMSDIMECSA-N	246.394	4.635	0	10	BJAE	
C1CCC(CCNCC[C@H]2CCCC23CC3)CC1	2255231526	BSFKIPPPTOPQRC-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)C[C@H]1CCCC12CC2	2255324938	BWFYXZOZRFFTLH-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C)[C@H]2CC23CCC3)cc1	2256452407	RTJGKLDTXJUJSU-XJKSGUPXSA-N	243.394	4.801	0	10	BJAE	
Cc1coc(C)c1C(=O)CCCCC[C@H]1C[C@H]1C	2257305432	USGXDLADCDLOKZ-RISCZKNCSA-N	248.366	4.686	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	2257313236	CMGUGUOCJDHFCO-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](C[C@H]2C=CCCC2)C1=O	2261444681	SGYJGZNYKLYKLX-KBPBESRZSA-N	248.410	4.764	0	10	BJAE	
CCCC[C@@H](CC[C@@]12CCCC[C@@H]1CC2)NC	2298712876	DSDOXVRKRJGAMZ-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CCC(=O)c1c(C)cccc1C	2300701168	PVTZAYXEDSRZSZ-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CC=CC[C@@H](NCC)C1(C)CCC(C)(C)CC1	2300904592	QMNKMFOMTDUPNW-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
c1sc([C@@H]2CCCC23CC3)nc1CCC1CC1	2302269609	UKIOUCNTHNRAQJ-ZDUSSCGKSA-N	247.407	4.533	0	10	BJAE	
C[C@@H](NCCCC1=CCCCC1)c1cccs1	2302318804	XRONJULOCFOJOY-CYBMUJFWSA-N	249.423	4.679	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)CCCC1=CCCCC1	2302354645	UGIXCBNLYLVHLE-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1CCC(C)(C)C1	2302753064	KDRJDPYYXCNDSO-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1CCC(C)=C(C)C1	2303597241	OJSHIBXVHNVKHZ-HZPDHXFCSA-N	235.415	4.600	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@]2(C)CC2(C)C)C1	2304435052	GLCKFGBKBBKGIL-WBMJQRKESA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CCCC(C)(C)C1	2307817693	RMGYLTLGBYKSAE-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(C)(C)C[C@@H]1NC	2307898142	HVLDDULCHNUZEZ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@H]1C=CCCC1	2307909708	LERRDAUZEIMXDN-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCCC1)C[C@@H]1C[C@H]1C	2310971548	JMFQZLSJVRDSOM-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CCC[C@@H]3CCCC[C@@H]32)C1	2311206645	FILXRPZSONQAKQ-QAETUUGQSA-N	249.442	4.610	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312949379	MRIUWMCLXSNMCB-WBTNSWJXSA-N	246.394	4.518	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1CC2(C1)CC21CCC1	2316248392	ORKPZEHZKHLSIQ-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CC1=CCCCC1	2316538133	VIPWDYWHWATREW-QGZVFWFLSA-N	249.442	4.992	0	10	BJAE	
CCCn1cc(CC=C(C)CCCC(C)C)cn1	2316564483	LODAOZKUVDYLQH-UHFFFAOYSA-N	248.414	4.608	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H]1CC2)[C@H]1C=CCCC1	2316879848	HDBMIQCLUWWWTH-VGWMRTNUSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)[C@]1(C)C=CCC1	2317000364	BTLHJWIJWHTGRO-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)CCC2=CCCCC2)CC1	2317906251	GDEYCLXIIOSBFB-WMLDXEAASA-N	247.426	4.731	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C1=CCCCCCC1	2317983835	RXPMFHDLBIVBOE-QGZVFWFLSA-N	248.410	4.909	0	10	BJAE	
Cc1cccc([C@@H](O)C[C@@H]2CCC(C)(C)C2)c1C	2319316054	ZASAQMMOIRGXGW-HOCLYGCPSA-N	246.394	4.553	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC[C@H]1CC[C@@H]1C1CC1	2319751544	XFFJSCIASBZQLM-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(NC[C@@H]2CC[C@@H]2C(C)(C)C)ccc1F	2320239658	GGLCXIQMVRHYIV-JSGCOSHPSA-N	249.373	4.618	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@@]1(N)CCC2(CCC2)C1	2320243076	IHNURHLVYWOKFI-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CNC2(C)C(C)(C)C2(C)C)CC1	2320413081	MEUKSAGGXYYMLW-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CC[C@@H]2CC(C)C)c1	2321081088	BSVGCGPZAKDDPP-CJNGLKHVSA-N	249.373	4.625	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@]23CCCC[C@H]2C3)C1	2321619855	PPNHSCWMGJQYQE-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
CCC1([C@H](NC)c2cc(C)ccc2C(C)C)CC1	2327661398	WZXCIJWCVYODSV-MRXNPFEDSA-N	245.410	4.569	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)CCC(C)(C)C)c1	2327673392	ORWNYEMBAIGHLP-MRXNPFEDSA-N	248.410	4.978	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1cc(C)ccc1C(C)C	2327676713	YZGIFQZMWAIGLH-INIZCTEOSA-N	247.426	4.945	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cccc2ccoc12	2328214424	WUVIJZBSYPFULX-LBPRGKRZSA-N	244.334	4.832	0	10	BJAE	
CCCCC[C@H](C)Nc1cc(C)cc(C)c1	21500112	MCSBUMWOWMDQFH-AWEZNQCLSA-N	219.372	4.684	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](CCC(C)C)NC)cc1	35469065	VPCHZQIVPWLNAN-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccc2sccc2c1	36975636	NDTDDGYYRNVNFV-WDEREUQCSA-N	233.380	4.748	0	10	BJAE	
Cc1ccc(F)cc1NC1CCC(C)(C)CC1	79619935	NJQTUDRXZUOHJR-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCCCCC[C@H]1CCCC[C@@H](NCCC)C1	80415318	RTGUJRJGCZCUNG-JKSUJKDBSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@@](C)(CCC)c1ccccc1	81162466	JKYBASZDTYCZKW-OAHLLOKOSA-N	204.357	4.935	0	10	BJAE	
C[C@H](Nc1c(Cl)cccc1Cl)C1(C)CC1	83847735	NLZZXBWCPYOZTK-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C2CCC(C)CC2)CC1	86918879	GCXMAPVLROQPSS-KNIAUWFNSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](O)(C2CCCCC2)CC1	86951488	KDAPEQOKTUFRPH-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)[C@H]1CCC[C@@H](C)C1	93676240	ZRZBKSAEFVWRMJ-KAJHTXMWSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CNCC)CC1CCCC1	110205778	FYOPXUHNRRZZDD-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCN[C@@H](CC(CC)CC)c1ccc(C)s1	133439398	WCFXAHYFVKRMJV-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@H](N)c1cccc(C2CCC2)c1	133601974	LMLNUOVUJYLZMA-KRWDZBQOSA-N	245.410	4.924	0	10	BJAE	
Cc1cc2cc(Cl)cc(Cl)c2s1	141153642	ZJNKDSJWCWYSOJ-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCCCC[C@H](NC)C1(CC(C)C)CCCC1	159521545	SVLSUZAIXVHZBL-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CC1CCCC1)C[C@H](C)CC(C)(C)C	162763892	AKUFKZIUJHJRMQ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC1(CN)CCC(C(C)C)CC1	166253454	BASNDCXQNIGDJP-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
FC(F)=C(Cc1ccccc1)Cc1ccccc1	196691795	HRJUIMMAXZWSGN-UHFFFAOYSA-N	244.284	4.622	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCCCC1(C)C	226781881	WTKAQWYALQIKBZ-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H]2CCCC2(C)C)c1	226800568	XOKANALQWQYDIT-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@H]1CNc2c(Cl)cc(Cl)cc21	232998368	NZWNNHFIXIUZRH-QMMMGPOBSA-N	244.165	4.693	0	10	BJAE	
CCN[C@@H](c1c(C)cccc1C)C1CCCCC1	233585877	LSTHZGDOBQKZNT-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCc1ccccc1[C@@H](N)C1=CCCCCCC1	234151523	IJGBIRCEJRLPQH-KRWDZBQOSA-N	243.394	4.529	0	10	BJAE	
Cc1cccc(O[C@@H]2CC[C@H](C)[C@@H](C)C2)c1C	235655248	IKKONQJYZMVCGU-CORIIIEPSA-N	232.367	4.507	0	10	BJAE	
CCCCCC[C@@]1(CNC2CC2)C[C@H]2CC[C@H]1C2	250844863	ZSHZVCURNDCIQT-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CCCC(C)(C)C)CNC(C)C	300963917	YUNVRHJLUBEXAS-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1n1ccc2ccccc21	301321509	LVHPJFJQQQDAFA-DZGCQCFKSA-N	227.351	4.783	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccc(C(C)(C)C)cc1	302332292	IDSYZAZYRMPQRA-CJNGLKHVSA-N	248.410	4.844	0	10	BJAE	
CCCCC[C@@H](NCCC)c1cc(C)c(C)o1	302421330	QZQHONRIBIZSMS-CQSZACIVSA-N	237.387	4.517	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1ccc(C(C)C)cc1	302487951	ZKSCPYITTUFSNK-CZUORRHYSA-N	233.399	4.636	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCC(F)(F)C1	304161065	LOPXXIHKPLVFKI-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
C[C@@H](NCC1CCCCCCC1)c1ccccc1	305900724	BFFPGCBMUCZSGC-OAHLLOKOSA-N	245.410	4.698	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)c1ccc(C)cc1C	308048119	FCUWMCGFRWPYOE-RDJZCZTQSA-N	247.426	4.766	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCC(C)(C)C1=CCCC1	308758245	QZHQXGFAQVOKEF-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CCC1(CNc2cccc(C(C)C)c2)CCC1	310100522	BGJLFHUCDNGVCO-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)CC1(CC)CCC1	310113518	GHCYJONYFCFBLG-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1(Cn2ccc3cccc(Cl)c32)CCCC1	310414292	PHMXWZYCQYHTDP-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCOc1cccc(N[C@@H](C)CCC(C)(C)C)c1	310998544	NNAPMTDMICONLS-ZDUSSCGKSA-N	249.398	4.712	0	10	BJAE	
C/C=C\C[C@]1(CNC(C)(C)C)CCCC[C@@H]1C	318251744	GRPNGGQMVBKEHF-BYRFQNSZSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@](CNC2CC2)(C2CCCCC2)C1	319120812	AQARKDDSESLVCG-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC3CCC2CC3)c(C)c1	381946282	BVWNCODKWUMGDK-UYSNPLJNSA-N	243.394	4.602	0	10	BJAE	
Cc1cccc([C@@](C)(O)CCCCCC(C)C)c1	383497198	HDXOLEGAGTYADO-KRWDZBQOSA-N	248.410	4.809	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)CC(C)C	384867772	QDKKFVRWKIMXDX-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC1(CN[C@@H](CC)C2CCCC2)CCC1	391834363	IMOFVYHTBCOPDC-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)CCN[C@H](c1ccccc1)C(C)(C)C	394455947	JOEXBULZFCLWQL-GOEBONIOSA-N	247.426	4.800	0	10	BJAE	
CC[C@@H](C)CCNc1cc(C)c(F)cc1Cl	394460017	PVOFACSYGFURRR-SECBINFHSA-N	243.753	4.636	0	10	BJAE	
CC1(NCCC2CCCCCC2)CCCCC1	394539950	SLJANNYTXBCQRR-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
Cc1c(F)cccc1NCCCC1CCCCC1	395178016	PVNIBNRKXWJHTB-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
COc1cc2cc(C(F)F)cc(Cl)c2s1	396286311	ANGGDLUIXOEVKZ-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@@H]1CC1(C)C)c1ccccc1	397631906	OMLVUIJDGRKJNP-KBMXLJTQSA-N	245.410	4.552	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)C[C@H](C)C1CCC1	398802707	IVPCMXINYSENCK-MQJVFOOVSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CCN1[C@H]2CC[C@H]1c1ccccc12	608497610	IHRHBCAXXPUIRS-HOTGVXAUSA-N	243.394	4.705	0	10	BJAE	
CCc1ccc(NCCCC2CCC2)cc1C	688386712	QPVKGHPGSQJKJF-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H](CC)CC(F)F	688831736	CJCHEYCPOFKIGP-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
CC(C)c1cccc([C@H](N)C(C)(C)C2CCC2)c1	688948712	IRIYJSPIQDUPSU-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CCc1cc(N[C@H](C)CC2CCCC2)ccc1C	689736934	GOTFSWAWFLFCFS-CQSZACIVSA-N	245.410	4.938	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC[C@H]2C)cc1F	691080780	OMRXJKLEPYKOQY-DOMZBBRYSA-N	235.346	4.515	0	10	BJAE	
CC(C)(C)c1cccc([C@H](O)CCCC2CC2)c1	691715003	XQXOSZQRJSSXFI-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC3CCC2CC3)CCCCC1	691782651	YVAMBVJDEBODIT-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@]12CCCC[C@@H]1C2	693158690	QKWWHPQZUMMFHF-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@]12CCCC[C@@H]1C2	693197397	KIQMJRYZVJDTOF-CXAGYDPISA-N	242.362	4.573	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCC12CCCC2)C1CCCC1	693896073	IGZOZQKMAGQBTI-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CC1(CCN[C@H]2CCCC[C@H]2C2CC2)CCCC1	696110943	OSIKCMDLUQPEMW-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(C(=O)c2cccc3ccsc23)CC1	697579340	ZMVHALPKZFSVPO-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)C1(C(C)C)CC1	697632229	TVUBDKCMPWGIRL-MRXNPFEDSA-N	245.410	4.507	0	10	BJAE	
CCCC(CCC)NCC(C)(C)C(F)(F)CC	699673003	WYIDQAJOYDZDFK-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H]([C@@H]1CC[C@@H](C)C1)C(C)(CC)CC	701131820	BVVNIVAVRHMYDH-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCc1ccc([C@H](O)[C@H](C)CC(C)C)cc1	704742531	WSVOBFNYCHFDPH-RHSMWYFYSA-N	248.410	4.745	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)CC(C)(C)C)C1CCC1	709129799	IADNLAVUTZIPMP-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)N[C@H](C)[C@]12CCCC[C@@H]1C2	709277246	OHNRRLAVTAINCA-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@]1(C)CC1(C)C	713131454	QSRPGKOMPBKGAT-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1N	713159688	LGSAITFCBMPCID-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
C(CCC1CC1)CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	716399010	AQMUIMGQURXEBR-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C1=CCC(CSc2ccc3c(c2)CCCC3)C1	1652050911	RTACFIPTYOASKU-UHFFFAOYSA-N	244.403	4.624	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1cccc2cc[nH]c12	1664413722	HRSOUOZBWCWGLD-ZDUSSCGKSA-N	244.382	4.795	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CC[C@H]1C(C)(C)C	1902731743	OCZYLVARAKMNNJ-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1cccc(Cl)c1	1905391079	PGLYMDQNPDHKDW-FZMZJTMJSA-N	240.774	4.590	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1csc(C)c1C	1905431879	NZYFYWFZRDNKBV-GFCCVEGCSA-N	238.396	4.764	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cc(C)c(C)s1	1905431920	ADEQSIWHXYDSLL-QWHCGFSZSA-N	239.428	4.581	0	10	BJAE	
C[C@H](CC(=O)C[C@@]12CCC[C@@H]1C2)CC(C)(C)C	1908426323	KBHYMJCHIPVBJF-IOASZLSFSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](C=C(CNC2CC2)C(C)C)C1	1912079942	XLNYTBQOISWSGX-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C[C@@H]1CCCCCCCCC1=O	1913381291	ZXRAXAIDPSRISU-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
O[C@H]1CCCCCCCC[C@H]1C1CCCCC1	1913403452	JPIZBFKUVFIRPR-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
C1CCC(CCN[C@H]2CCC3(CCCC3)C2)CC1	1916428816	AKSREWDWLMXOPN-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC[C@](O)(C[C@@H](C)CC(C)C)c1ccc(C)cc1	1919891152	RQCQLRGNCMZFIF-RDJZCZTQSA-N	248.410	4.665	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CCCC12CCC2	1921605343	NSXHDMZIMVYHRO-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@@H]1CCCC12CCC2	1921612436	HYZBRAUNBPBMOV-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@H](C)C1CCCC1	1923892787	KQZCFVNMPGPFDS-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CCc1cscc1C(=O)C[C@H]1C=CCCCC1	1925734843	OVLSHDKJIOYONL-LBPRGKRZSA-N	248.391	4.630	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@H]1CC[C@H]2C[C@H]2CC1	1925803651	UVYZBSUCQWIAED-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1CCC=CCC1	1936554022	PDTQJAYSMZPESN-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1sccc1CC	1938204496	FTVJCCKKNMKSBL-YPMHNXCESA-N	239.428	4.527	0	10	BJAE	
CCCC(CCC)[C@H](N)c1sccc1CC	1938204536	FYMFHPLIQJKCPW-ZDUSSCGKSA-N	239.428	4.527	0	10	BJAE	
CCC1(C)CC(N)(CCCCCC(C)C)C1	1939096101	MAKOODPCIGEVOZ-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC[C@@H](C)CCC)NCCC	1939109192	AVSYMOQAVCXGLE-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1CCC[C@@H](C)CC1	1939899149	NHPQPKGISNBKTQ-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CC1(CC(=O)C2(C)C(C)(C)C2(C)C)CCCC1	1940281040	XFEISXBYZTWWBS-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CNC1CC1)CC1(C)CCCCC1	1940405598	JEPRZJRIVJOTDH-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(CCCNc2cccc3ccsc23)CC1	1940873206	BFJZQCHAOMJCMW-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CCCC(C)(C)C)NC	1941262559	GTPQGTLMLFNXDH-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
Cc1cscc1CNc1cccc(C2CC2)c1	1941470763	VCHSYRTXWMUBOE-UHFFFAOYSA-N	243.375	4.546	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C1(C)CC(C)C1	1941982537	UPQDBVNAQFGBMN-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H](C)CCC(C)C)c1	1942659400	JELMFHVJTJMAOJ-AWEZNQCLSA-N	229.367	4.947	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944200097	SBJJRJCAWIOHPT-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCNc1ccccc1C1(C)CC1	1944597607	BQXXOTNXBDHYON-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C(C)(C)C1CCCC1	1944645175	GZSMOKXMYQKUPB-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(C)(C)CCNC(C)(C)C	1944846930	SXGHVXOYVKJWGF-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@H]1CCC(C)(C)C1	1945593382	QFWYERFXEQEKRC-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(CCCCNC1CC1)C1CCCCC1	1946184496	KZQHGLFFRDPSEX-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1cscc1NC1C[C@H]2CCCCC[C@@H]2C1	1947859729	QUOWUTRMJDNMIK-CHWSQXEVSA-N	249.423	4.827	0	10	BJAE	
CC[C@H]1C[C@@H]1CC1(O)CCCCCCCCC1	1947877781	ATSGBJRASQDMDJ-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)[C@H](C)CC(C)C	1948327342	OIMSSCLZGBFQJM-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](CC[C@H]1C=CCCC1)NCCC	1948434015	BJNQQRKTQCKYGQ-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC(C)CC[C@H](C)C[C@@H](N)CC1CCCCC1	1949906967	JOQFTKJKCAIGPN-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H]1CCC2(CC2)C1	1950286045	FIGWUJYKMOIZIX-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@]1(CNC(C)(C)C)CC12CCCCC2	1950602749	UNXFOTHETCREQR-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)CNC[C@@H]1CCCC(C)(C)CC1	1950923281	SPCXBLBTPMVBBG-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CCC2CCCC2)CC1	1950929891	KUTBDCDPOAGYLR-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@H]1CCC[C@H](C)CC1	1950931373	WLSCFSZCGQNQLK-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC=CC[C@@H](CCC)c1ccc(O)c(C)c1	1951309101	UWUHDJZPQZVXQO-CQSZACIVSA-N	232.367	4.941	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCC[C@@H](C2CC2)C1	1963228044	AXTFNZMWEQBDLM-PMPSAXMXSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)N(CC(C)C)CC1(C)CC(C)C1	1966319537	UKRIEWQXVDCCIM-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCCC[C@@H]2C1)C1CCCCC1	1967859198	AXOKSRQAAAXMFO-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)N[C@@H](c1ccccc1)C1CCCC1	1969086013	FJXVYCMVLKMFAJ-PBHICJAKSA-N	245.410	4.696	0	10	BJAE	
CC[C@H](NC[C@H](CC)C(C)C)C1CCCCC1	1973383108	BZNZQKHZRLXTDU-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H](C)C12CCC(CC1)C2	1973843590	GPBBJQREJRZZCT-QBBMROGASA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@](O)(CC)C1CCCCC1	1975960164	WNPKOMBJBIKXCQ-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CCNC1CCCCCCCC1	1980336631	LTDLFPVKIBNPEU-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC(CC)C[C@@H]1CCCCCCC[C@H]1N	1980351306	MXKLTPICTSRDJB-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCCC(=O)c1cscc1F	1982846039	FYJRNIOCVNLIFF-UHFFFAOYSA-N	242.359	4.676	0	10	BJAE	
CC=CCCCC(=O)[C@@H](CCC)CC(C)C	1984576291	YTWBSASAPSBECK-AWEZNQCLSA-N	224.388	4.764	0	10	BJAE	
C=C=CCCC[C@@H]1CCCC[C@@H]1C(F)(F)F	1985447615	MKPGLBDRUGUOEQ-NEPJUHHUSA-N	232.289	4.867	0	10	BJAE	
CC(C)=C(C)C1(O)CCCCCCCCC1	1989676849	WPYNOZQLFMHFHX-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CCC1(CCC)CC1)NCC	1990632837	INHIULAOBMRSBO-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
Cc1cc(C=O)sc1-c1ccc(C(C)C)cc1	1995666777	OCQBRZNFZWVPFH-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CCC(CC)C[C@](C)(N)C1CCC(C)(C)CC1	1996593206	FZMKTTLATRFCNZ-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]([C@H]1CCC[C@@H](CC)CC1)[C@H](C)CC	1997104584	KFYTUVHSNRGANV-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNCCCC(C)(C)C)CC1	1997214381	JSQGVCXKNUSECH-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)CCNC[C@H]1CCC[C@H](CC)CC1	1997216158	TUDCKURQPURZAJ-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC(C[C@H](N)CCC2CCC2)CC1	1998029965	LOZSYFMHHXQECN-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@H]2CCCCCC[C@H]21	2001502746	YWISGLKWWMJAMO-ZJIFWQFVSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@@H]1[C@H]2CCCCC[C@H]21	2002791521	MPTQXNIVUWPBHN-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@H]1CCCC(C)(C)C1	2002981236	HATJTSFLWLNQMQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCCC(C)(C)C1	2002990028	FIGGJHFQMVHWDJ-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H]2CCCCCCCC2=O)C1	2003071547	ZVFHXHIYUVOFBE-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CCC2(CC2)C1)C(C)(C)C	2003213425	FHQYUZAJZVCYOJ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H]1CCC[C@@H](C)C1	2004726090	YAVDTNMWCQVPBK-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CC1([C@@H](O)C2=CCCCC2)CCCCCCC1	2004920130	HEVZJCJYTFPKBK-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@@H]1CCC[C@@H]1C	2006727744	RLFOXDUURHZBCO-SWLSCSKDSA-N	232.367	4.686	0	10	BJAE	
FCc1ccc(NCCCCCC2CC2)cc1	2007028268	VROSWGIXLORGLN-UHFFFAOYSA-N	235.346	4.538	0	10	BJAE	
CCCCCC(CCCCC)N[C@H]1CC1(F)F	2008086930	FJNSXPLYDRLMBV-ZDUSSCGKSA-N	247.373	4.513	0	10	BJAE	
CCC[C@@H]1NCC[C@@]12CCC[C@@H](CCC)CC2	2009061192	YSNCFHJCIXXCQP-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CC1(CC[C@H](N)C(C)(C)C2CCCCC2)CC1	2009536071	PYTJRZZZFBIDAF-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](O)CCC2(C)CC2)CC1	2009540851	NOTBOLPWDHIALY-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCN1CCCC(CC)(CC)CC1	2009573633	UWQNBUPPPSGBNF-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCC[C@@H]1CNC(C)C	2009612229	SSDLOBJAHSAOTR-FZZYSBJUSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](O)CC1=CC[C@H](C(C)(C)C)CC1	2010714028	PEQPSWNLRNRIAZ-LSDHHAIUSA-N	238.415	4.556	0	10	BJAE	
CCCC(CCC)CNC12CCCC1CCC2	2012155455	JRFDQCNTTNYBSP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1C[C@@H]2CC[C@@H]2C1	2015206271	MQHJJKMZRPCFET-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
CCNC[C@@H](C)[C@H](C)CCC(C(C)C)C(C)C	2015342904	AGLXIDMPYPIGCM-HUUCEWRRSA-N	241.463	4.577	0	10	BJAE	
CCCCC(C)(C)NCCC(C(C)C)C(C)C	2015346514	GLDCUXFPCWWBCE-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
CCCC1CC(C(=O)CC(C(C)C)C(C)C)C1	2015382730	FJGYIOAXVQYIJH-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCC1(C[C@@]2(O)CCC(C)(C)C[C@H]2C)CCC1	2015594974	JWSBVSBLFMBURL-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H]1CCCC(C)=C1C	2016144083	IGQJMCORFQORGR-ZBFHGGJFSA-N	235.415	4.600	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C(C)C)C1CCC1	2016144508	JZNVMZCNNAVJRU-ZBFHGGJFSA-N	237.431	4.536	0	10	BJAE	
CCC(C)(C)CC(=O)CC1(C(C)(F)F)CCC1	2016690150	GRQFDUIJQLWWJK-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC(C)(CCF)C(=O)CC1(C(C)(C)C)CCC1	2017124760	IGSJBZISTUBIPF-UHFFFAOYSA-N	242.378	4.548	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC1(C(C)C)CCC1	2017141059	MKOUCRFCAYPOIG-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(C[C@H](CCC)CNC)CC1	2017729663	YZBNIMXXOHWJBB-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(CC(=O)[C@H](C)CC(C)C)CC1	2017773156	WGLKJGWDNUIPKI-WLYUNCDWSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCC[C@@]1(C)NCCC1CCCCCC1	2017868090	JXASPVXWOFALTL-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CC2(N)CCC(C)(CC)CC2)CC1	2019004260	SMIVNSVIABFOAL-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CCCCCN1[C@H]1C=CCCCCC1	2019124276	OHYIYMHNDPRLOQ-HOTGVXAUSA-N	235.415	4.530	0	10	BJAE	
CCC(CC)CCN(C)C[C@@H]1CCC[C@@H](C)C1	2019163445	JKFVYXPMRAMPAE-GDBMZVCRSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@H](C)CC(C)C)CC1	2019298025	RMWUOXPFFCYPGD-BZUAXINKSA-N	239.447	4.712	0	10	BJAE	
CCC(CC)N(C)C1CC2(CCCCCC2)C1	2019298168	UCJKDZYETWXRMU-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H]1CCCCC1(C)C	2022557027	KPKKUPLFOOQOEC-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCCNC12CCCC2	2024624470	QXQDRYUIEHXMSJ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H]1CC[C@@](O)(CCC2CCCCC2)C1	2025571153	OUAZFEYRRAPYQE-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H](C)C1CCC1	2026166798	MLFVMCKWBFTHEJ-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@H]1C[C@@H]1C(C)C	2026170690	ROJRDZFJMCBDHA-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CC1(C)C[C@H]2C[C@@](C)(CN2C2CCCCCC2)C1	2026946031	HANNVZDOIXAMCE-DOTOQJQBSA-N	249.442	4.610	0	10	BJAE	
CC1(CC[C@@H](N)c2ccc(C(C)(C)C)cc2)CC1	2027732158	KZQVSKQTVOUWNT-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C(C)(C)C2CC2)cc1	2028110239	SZIMTCKOMVKAJS-LBPRGKRZSA-N	244.378	4.819	0	10	BJAE	
CN[C@@H](c1ccc(C)cc1C)[C@@H](C)CCC(C)C	2029824942	OGGWMFRZDKZSDI-WMLDXEAASA-N	247.426	4.636	0	10	BJAE	
CCCC1(CNC[C@]23CCCC[C@H]2CCC3)CC1	2031804778	MTGQPMDCDZTNCN-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cccc(C2(C)CC2)c1	2032244876	FYRLGUINCGLLEW-BBRMVZONSA-N	243.394	4.729	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CCC[C@@H](F)C2)c1	2034874410	OPMRKZJEYGINNE-HUUCEWRRSA-N	248.341	4.521	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C)[C@H]2C(C)C)c(C)c1	2035413051	UKSJMHIEZSPVPR-KBRIMQKVSA-N	245.410	4.786	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@H](N)C[C@H]2C=CCCC2)C1(C)C	2035592554	NWBBIDUXHPAAEH-JYYAWHABSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)C[C@H]2C=CCCC2)[C@H](N)C1	2035597797	HRXZCNWBGGBKBC-FXUDXRNXSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@@H]1CC12CCCC2	2036103385	CWXRVVBSFTWTSA-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CC2(CC2)C1)C1(CC)CCCC1	2036755403	LWPISZQDVJEWMM-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@@H](C)c1ccccc1	2037116032	PRUCZQYBWIECPL-ZBFHGGJFSA-N	247.426	4.724	0	10	BJAE	
C[C@H]1CC([C@@H](N)C[C@@H]2C=CCCCC2)C[C@H](C)C1	2037270826	VHOBSOGSXFFELE-ANQUJSFKSA-N	249.442	4.523	0	10	BJAE	
CCC1(C)CC(C(=O)[C@H]2CCC3(CCCC3)C2)C1	2037682560	MYKRYPPDUBMXAJ-HLIUYOAVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@@H]2CC23CCCCC3)C1	2039013087	UYPDSSAZZLSZOR-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC12CCC(CC1)C2)C1CCCCC1	2039418826	YTWANSSXUDVCJY-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1	2039847920	FBTRRMUGQUHKIH-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCC1(C2CC2)CCC1)C1(C)CCCCC1	2039872804	QFVNWVZCNQHAMF-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CCCC2)C1(C)CCC1	2047009847	RYKYRFWDSLNRRH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)([C@H](N)C[C@@H]2CC23CCCCC3)C1	2047013253	UJZQBXNRRUAFIQ-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@@H]1CC12CCCC2	2047015564	JWMGGWDXVXQCGO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047409403	NWDJTJHPSXSKSI-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2047439023	WZEGTIIZHQZNFU-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC12CCC2)C1CCCCC1	2047939056	KQNCODGKAJCODO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@H]2[C@H]3CCCCC[C@H]32)CC1	2049191641	MEXQHIUAJXQNGI-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC1([C@@](C)(N)[C@@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2049210477	BQVOMXCCMWJDBW-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@@H]1CC)[C@]1(C)C=CCC1	2050004893	BJOOSFWJECMWIT-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2CC23CCCCC3)C=CCCC1	2050007610	FNIZWJUGSBGCRW-HOCLYGCPSA-N	246.394	4.662	0	10	BJAE	
Cc1cccc([C@@H](O)CC[C@@H]2C=CCCCC2)c1	2050428692	GAHFJHCQHVMCTL-WBVHZDCISA-N	244.378	4.555	0	10	BJAE	
C1CCC(CCCN[C@H]2CCCCC23CC3)CC1	2053304496	DJJOVOGFLWGMQP-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@@H](CC2CCC=CCC2)C1	2055028942	NTXKQKVERMJBGC-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC=C[C@@]1(N)C1CCC(C(C)(C)C)CC1	2055567567	YTIJHWKPBXPXQG-VXTDNTOSSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)[C@@H]1CCCCC12CCC2	2059171578	IWSRNAPQJRXRTK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCC(=O)c1ccccc1CC(C)C	2059202726	BYMJMDNEOHQDGQ-UHFFFAOYSA-N	244.378	4.814	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1cccc2ccccc12	2059221991	VHKTXICQMRMJIO-RCAFFNEUSA-N	240.346	4.620	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H]2CCCC(C)(C)C2)CC1	2061085157	PBMPOZSCJTZZSC-BMFZPTHFSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CC1CCC1)C1=CC[C@H](C(C)(C)C)CC1	2061093979	BVFVDJVOFYRJKN-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@H](N)CCCC2CC2)CC1	2061143580	LKASGUVZKVOJAS-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
CCC1(C)CC(C(=O)CC2CC(=C3CCC3)C2)C1	2061697028	XOGLKFQOHMIUIA-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](CCCC[C@@H]1C[C@@H]1C)c1ccco1	2062642218	OHSLBFZKZCHSGI-RRFJBIMHSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063509718	PPQISGLKHFFJNL-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)C(=O)C1	2063523533	CSERYPMPUYVXGR-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
C[C@H](NCCC12CCC(CC1)C2)C1(C)CCCC1	2067507986	HKLBUWDUCIOPSO-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC2CC(CC(C)(C)C)C2)c(F)c1	2067983857	ZNCQAGJZTBJBIM-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CC1(CNC[C@H]2CC23CCC3)CCCCCCC1	2069192511	GMCBSRGSIZBTOF-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCCC23CCC3)CCC1	2069281502	YCTONDOIQWYKRV-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H](C)C2CC=CC2)CC1	2070798320	ZXJUVLNSDUAPQP-JFBXJRRNSA-N	249.442	4.536	0	10	BJAE	
Cc1ccc(C)c([C@H](O)C[C@H]2CC[C@H](C)CC2)c1	2072668542	CBAGUKLSEZSPCI-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
CCN[C@H](C[C@]12CCCC[C@@H]1C2)C1(CC)CCC1	2074024436	IHOJPSUPFYQEQF-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC(=C2CCNC3(CCCC3)C2)C1	2074134901	SJHUHSJOXLNERW-CQSZACIVSA-N	247.426	4.579	0	10	BJAE	
CCCC1(C[C@]2(CNC3CC3)CCC2(C)C)CC1	2074625180	YMFFOENIBIGPTH-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CN(C[C@@]1(C)C=CCCC1)[C@@H]1C=CCCCCC1	2074808365	FDPDMCDHUNPEJA-SJORKVTESA-N	247.426	4.554	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1C[C@H](C)c2ccccc21	2074896567	QJRGSXIOOFCGGE-LZWOXQAQSA-N	243.394	4.579	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CC=CCC23CCCC3)C1	2074905528	IWNIBNQNYYSPEV-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
C[C@H](Nc1ccccc1C1CC1)[C@@H]1CCC1(C)C	2077262057	KYBVXMZNUCYVDJ-WFASDCNBSA-N	243.394	4.801	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2C[C@H]2C2CCCC2)CCC1	2079434112	DVBNVILMZZUEFD-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(CN[C@H]2C[C@H]2C2CCCCC2)CC1	2079525408	AMXYZADPFXTFOE-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@H]1CCC)c1ccccc1	2079632941	KYGKAVCGZMGVAI-BRWVUGGUSA-N	245.410	4.554	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2081133529	RBOJWXAPLNBMIH-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)NCC1C2(CCC2)C12CCC2	2083561653	XDEOBUZYGCXZCP-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC1C[C@@H]2CC[C@H](C1)N2[C@@H]1CCCC[C@H]1CC	2084423757	ABXAQXKJYQTQFJ-MUOSFQKXSA-N	249.442	4.608	0	10	BJAE	
C(=Cc1ccccc1)C[C@H]1C[C@H]2CC[C@H]1C2	2210662161	KEYTZPFQDYLKPO-PMPSAXMXSA-N	212.336	4.526	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1sc(C)c(C)c1C	2211704713	MRDDGSSVGGZMKW-SECBINFHSA-N	238.396	4.682	0	10	BJAE	
CC(C)Cc1ccc(-c2c[nH]ccc2=S)cc1	2213512478	ULKDTULVTDPCGZ-UHFFFAOYSA-N	243.375	4.610	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CCCCC2CC2)C1	2214562890	LVPGJEORNYEVGL-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)CCCCC1CC1	2214585137	TXSCENSJGXQRJM-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@@H]1CCCCCCCCC1=O	2215344961	GPWVIOUPFRIHTK-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)CNC[C@@H]1CC=C(C)CC1	2215808857	GUKWJTFJOFRYDO-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC1=CC[C@](C)([C@@H](O)CCCC(C)(C)C)CC1	2215818271	QDBMOBXBACOQLN-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCCNCc1sccc1C1=CCCCCC1	2215905842	RZVRTCDHUNMSBO-UHFFFAOYSA-N	249.423	4.595	0	10	BJAE	
CC[C@H](C)NCC1(CC(C)(C)CC)CC=CC1	2217125480	PWZGNYADNFSDFS-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218333182	ONXJCJQXTAOFCV-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
N[C@@H]1CCCCC[C@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218357712	SEBADABXJFICRF-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCNC1CCC2(CC1)CC2	2218733383	XDBMAGUVZLWPHI-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H](NC1CCC(C2CC2)CC1)C1CCCCC1	2218896753	MCNXDDGFTVFZCR-IGEOTXOUSA-N	249.442	4.514	0	10	BJAE	
O=C1CCCCCC[C@@H]1C/C=C/c1ccccc1	2219089250	ZFIUYPHEMPVAEL-YCABEKBOSA-N	242.362	4.629	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)CC1=CCCCC1	2220029215	ZSRSBZMAWRUKNO-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1C[C@@H]1CC[C@H](N)c1ccccc1C(C)C	2220962581	RITRUWQIOYWPRH-ZQIUZPCESA-N	245.410	4.636	0	10	BJAE	
CC1(C[C@@H](N)C2CCCCCC2)CC2(CCC2)C1	2221013298	ILSTZSKZDOXXKS-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(CC1(C)CC2(CCC2)C1)C1CCCC1	2221015104	GIMQVBCLYNUJGV-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@H](CCC)Nc1ncccc1C1CC1	2221373679	HNROSHKWVHXJCM-CQSZACIVSA-N	246.398	4.730	0	10	BJAE	
CN(C[C@@]1(C)CC=CCC1)[C@@H]1CCCC(C)(C)C1	2221597008	HFJODSXALODRFE-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
CC[C@H](N[C@H]1CC=C(C)CC1)c1ccc(C)cc1	2221667535	VFBFBMRSOPMROM-IRXDYDNUSA-N	243.394	4.535	0	10	BJAE	
CCC(CC)C[C@@]1(CNC2CCC2)CC12CCC2	2223571254	FXNAUCPWWRNUME-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)CC(=O)Cc1ccc(C2CCC2)cc1	2223634947	QLJYYLHUQQTVJE-CYBMUJFWSA-N	244.378	4.502	0	10	BJAE	
C[C@@H]1C[C@H]2CCCC[C@H]2N1CC1(C)CCCCC1	2224089144	VWQDWICPMYPIKN-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CCC(C)(C)C(=O)CC[C@H]1CCC[C@@H](C)C1	2242759657	HNTJQKYGBGYCIQ-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)CC1CCCC1	2247116379	ZFCWIVRYITZHQJ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)CC[C@H]1CCCC12CC2	2247590050	ZLOTZYXQLGVOQO-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(CC)[C@H](O)CCCCC[C@H]1C[C@H]1C	2248816311	RYZANNXCIXYMBY-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C1CCCCC1	2248819315	JCDDZEHYHYRLKB-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)[C@@H]1CCC[C@@H](CC)C1	2250366884	MXSLXYOATULGIF-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1=C[C@@H](N)CCC1	2250482315	SWKLIYLJVRJQMX-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CC(C)(C)CCC1(C)C	2251673375	IGWBBZKGYYYJHB-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251713119	QTZQMOQSNRIDSP-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CCC1CC(C)C1	2251756293	ZLNTVOYBQMCYTA-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC1CC2(CCCC2)C1	2254118182	DKYUUXLIVVBGPN-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC1CC2(C1)CC([C@@](C)(N)CC1CCCCC1)C2	2254458352	GUWZOWRZZORYGU-LYOOIAODSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(N)(C[C@@H]2CCC23CCC3)CC1(C)C	2255008530	JOPGFTVNWXEXNV-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2CCC23CCC3)CC1	2255030226	XXQMMBWFPLBFLA-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
Cc1cc([C@H](N)CCCCC[C@H]2C[C@H]2C)oc1C	2257247939	MRWRQOQVFMOBMW-VHDGCEQUSA-N	249.398	4.503	0	10	BJAE	
Cc1cccc(N(C)CCCCC[C@H]2C[C@@H]2C)c1	2257283580	NEIMRBQWHNDMQO-HOTGVXAUSA-N	245.410	4.648	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C1[C@H]2CCCC[C@H]12	2257311559	MVJAUNWQAGSFGJ-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
C1=CCCC(N[C@H]2CCCC3(CCCC3)C2)CC1	2257915516	BRHNSPNYSPTUJC-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
CN(C1CCC=CCC1)[C@H]1CCC2(CCCC2)C1	2257941281	AEZQSWPOVHMWSW-INIZCTEOSA-N	247.426	4.530	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1C2(CCC2)C12CCC2	2259431795	XUNAWQIAIHKARE-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(C(=O)C[C@H]1CC[C@H](C)CC1)C2	2259432564	HMRNBPMFCYRNSK-WFUFVDDLSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@]12CCC[C@H]1CC2	2260509300	USZKYEWQIXFRHU-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@@]23CCC[C@@H]2CC3)CC1	2260686034	QPJUIEQJVRDDMN-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@@H]1CCCC[C@@]1(C)O	2298475389	NDQFEBWEQRAEGH-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C[C@H]1CC1(C)C	2300686699	UCGKWDDTPFSOJQ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@]1(C)CC1(C)C	2300688628	OYZJYUAYVNQCAA-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C)[C@@H](C)CC=C(C)CCCC(C)C	2300902524	VKNYEEMLUYIQJO-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1CCC[C@H](CC)CC1	2300902533	VLWMWIJICZLUKJ-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CCC1CCCCCC1)CNC(C)(C)C	2301148267	SNNRUKSYPANFTF-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCCC[C@@]1(O)CCCC1=CCCCC1	2302325846	KUMRGTSNJPSTJS-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
C[C@H](N(C)CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304394449	QUBDWJCVXKRWFH-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CC[C@H]1CCC(C)(C)C1	2304417408	CGMVAXJPYVPMOL-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNCC)CC[C@@H](C)C1	2307764399	WQSDOBWXKPDNES-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@H]1CC[C@H](C)C1	2307819822	QCXAHCZKQLDDDY-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
NCC1(C[C@H]2C[C@@H]3CC[C@H]2C3)CCCCCCC1	2312948861	CYQBROILKSFJQV-OWCLPIDISA-N	249.442	4.502	0	10	BJAE	
CCc1cc([C@@H](N)C2(CC)CCCC2)ccc1C	2314713533	UMXLDARVSZYZOK-MRXNPFEDSA-N	245.410	4.528	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@H]1CC12CCCC2	2317965620	ZNSJBXWYSLQFSH-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@@H]1C=CCCCC1	2317968944	JKRGIJBHBYITKN-IAGOWNOFSA-N	248.410	4.764	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H]1CC(C)(C)[C@H]1C	2318286705	WKCUUBDGBQWIPR-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2318873164	AVHMCJNBAXLBHQ-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2318939254	RPDZLZWAICRMPC-ZLVKTETGSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCCC[C@@H]3C[C@@H]32)C1	2319247670	XWTGMIJMHLXHDD-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1CC[C@H]1C1CC1)NCC	2319587144	GAOREYRZKOPUAU-BYFHDABZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C[C@@H]1CC[C@H]1C1CC1	2319587704	IACFENNPILZCKG-DYWXZXKOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@H](N)CC1=CCCCC1	2320257114	TXHSXHGHLHDJHB-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H](CC1CC1)C1CC1	2320514044	LOQDNEAMEAJERW-CXAGYDPISA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1cccc(C2CCC2)c1	2320654915	FXXIIEWAJFXVEU-RCAFFNEUSA-N	243.394	4.700	0	10	BJAE	
CC1(C)CC[C@H](CC[C@](C)(N)C2CC3(CC3)C2)C1	2321631196	NVEWDNQHTREVPT-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@](C)(O)c1cc(C)ccc1C(C)C	2327702217	VVVCGLNWCFVCPT-KRWDZBQOSA-N	248.410	4.906	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CCCC[C@@H](O)C2)c1	2327783685	GBNFFMQCLLTGSH-HUUCEWRRSA-N	246.394	4.527	0	10	BJAE	
CCCCCCc1ccc(CNC(C)(C)C)cc1	2327897549	BQDOIZYNSHPJPH-UHFFFAOYSA-N	247.426	4.698	0	10	BJAE	
Cc1cccc(-c2ccc(C(=O)C(C)C)cc2)c1	33466488	REGYPKARPHNYJT-UHFFFAOYSA-N	238.330	4.501	0	10	BJAE	
CCCN[C@@H](CCC(C)C)c1cc(C)ccc1C	35581599	XBJAWRDKDBIHIT-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
Cc1ccc([C@@H](C)NC(C)(C)CC(C)(C)C)cc1	37100825	RGBIXAHYLURIMJ-CQSZACIVSA-N	247.426	4.860	0	10	BJAE	
CCCC(CCC)N[C@H](CC)c1cccs1	49529123	PCCQOOQWGFYJJE-CYBMUJFWSA-N	239.428	4.758	0	10	BJAE	
CCCCC1CCC(CN)(CCCC)CC1	71127347	QFLKAOSMAVJREA-UHFFFAOYSA-N	225.420	4.502	0	10	BJAE	
CSc1cccc(N[C@@H]2CCC[C@H](C)[C@H]2C)c1	85083344	ZJFNQKYVMCSBAC-YWPYICTPSA-N	249.423	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H](Oc2ccc(C(C)(C)C)cc2)C1	85151252	REVMCVILOMXQRA-XJKSGUPXSA-N	246.394	4.942	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2ccc(F)cc2C)C1	87984158	DJRSHQYSMXOJGI-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H]1CC[C@H](CC)C1	88018714	VTBMPARGXOUYPW-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCCC/C=C/C=C\C=C/Br	96675328	VDIWLRCSQFHHQJ-VOXLRYPYSA-N	229.161	4.588	0	10	BJAE	
CCCc1ccc([C@H](CC)CCC(C)=O)cc1	107477063	NANYKEFHGWMLCP-OAHLLOKOSA-N	232.367	4.502	0	10	BJAE	
CCCC(=O)C[C@@H](C)Cc1c(C)cc(C)cc1C	107532522	YZIAECGGWANTJD-CYBMUJFWSA-N	246.394	4.550	0	10	BJAE	
CCc1ccccc1NCCC1CCCCC1	107758310	QKALMVMXIWXCGA-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCCCCC[C@@H](C[C@@H](C)CC)NCCC	124820233	GXRYNKVVSQIUBR-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
Cc1ccc(-c2ccc(C(C)(C)C)s2)c(N)c1	132091006	SUUNWPYMCXZEPU-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@@H](C)CNCCC	132977541	MAAOUPPFQHSSQA-JYJNAYRXSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC(CC)CC)NC	133384678	KOBMQDWOOYEPHO-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
Fc1ccc2nc(C3CCCC3)cc(Cl)c2c1	133594032	TYNMNAZMPFXXCJ-UHFFFAOYSA-N	249.716	4.685	0	10	BJAE	
CCC(CC)[C@H](O)c1c(C)ccc2ccccc12	160964480	MAXXUHNEOXQMAX-KRWDZBQOSA-N	242.362	4.618	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)CC2CCCCCC2)c1	162137648	OWYDRVSCHLQTDA-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CCCCCCC(=O)C[C@@H](C)C(C)(C)C	167957398	RVUMMVCVINBTGY-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
CC(C)[C@H](Sc1ccccc1)[Si](C)(C)C	196129415	CYSNPUBHXAOAJL-CYBMUJFWSA-N	238.472	4.681	0	10	BJAE	
C[C@H](CCO)CCC1CCC(C(C)(C)C)CC1	204566186	MSYKZMFGNYTXHW-NFOMZHRRSA-N	240.431	4.638	0	10	BJAE	
CC(C)[C@H](N[C@H](C)CC1CCC1)c1ccccc1	229677876	KHTKIVZTLVNLQK-PBHICJAKSA-N	245.410	4.552	0	10	BJAE	
CC1CCC(CN[C@H]2CCC23CCCCC3)CC1	230170318	ARZPPQQRQZAANY-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1ccc(Cl)cc1C	233334063	XOZSFBFGBQUENK-IINYFYTJSA-N	240.774	4.508	0	10	BJAE	
Clc1cccc2c1NC[C@H]2CC1CCCCC1	236069031	DOILLUCGRAQRQX-GFCCVEGCSA-N	249.785	4.820	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@@H](N)c2ccccc2)C[C@H]1C	251880196	RDMDPRVUEXAJEB-KCYZZUKISA-N	245.410	4.539	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCCC(C)(C)C)[C@@H]1C	302314911	PLUHPNITESEXJF-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)c1cc(C)ccc1C	302319351	GUBYCBSAXNCSLZ-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CCC[C@H](C2CC2)C1	302336637	UDDFGSQTKBVFJC-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](CCC)C1CC1	304371072	UTHTVOBQELPUOC-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CCCNC[C@@](C)(C[C@@H](C)CC(C)C)C(C)C	305971772	PYCUZCCTQJOCNG-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
Cc1ccc2sc(Cl)cc2c1C(F)F	307153152	CAMWQPAIDSGDLH-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCc1ccc2c(SC)csc2c1Cl	307488558	DUAHQRDGIZWGSW-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCc1cccc([C@H](N)[C@@H](CC)CC(C)C)c1	308066007	MLJFKEKSPLZPLL-DOTOQJQBSA-N	247.426	4.711	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(CN)CCCCCC2)C1	310465351	ZGQLABZJPYORHD-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCC2)CCC[C@@H](CC)C1	317539144	ATONCYBIKIJWIR-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC[C@@](CNC2CC2)(C2CCCCCC2)C1	318219425	VBCJZWZHNPDWRU-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](N[C@@H](C1CC1)C(C)(C)C)c1ccccc1	324145322	WYMIIXCNHQOZHS-CVEARBPZSA-N	245.410	4.552	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1csc(Cl)c1	378999446	XYNVUNSKKTYHJR-JTQLQIEISA-N	245.819	4.618	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)CC1(C)CCC1	380024184	DZNPCKYOQBGKQT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H]([C@@H]2C=CCCCCC2)C1	380738282	KEUDYEAISOGOLA-BZUAXINKSA-N	248.410	4.764	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@H]1CCC[C@@H](C)C1	382678459	DBTYFOWTUQAALT-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
Cc1cccc([C@@H](CN)CCCCCC(C)C)c1	383219575	DZDVROKHLCSEBH-QGZVFWFLSA-N	247.426	4.644	0	10	BJAE	
CC(C)CCCCC[C@H](N)C1CCC(C)CC1	383283560	PMUXXWIYRNGLBL-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)CC1(C)CCC1	383522543	OEYBMFHQBABRQI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C(C)(C)C(C)(C)C)CC[C@H]1C	383856051	MZBFOKNRFFXROY-AGIUHOORSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@@H](C)C2CCCCC2)C1	384095342	ZPBLDGNGVIUSSS-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1ccccc1CCC	384502055	PNSZYUGGGUHHEG-WMLDXEAASA-N	248.410	4.889	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCC1(C)C)c1ccccc1	384684139	AZNOAAWFPHAFHW-UKRRQHHQSA-N	244.378	4.576	0	10	BJAE	
CCCc1ccccc1[C@@H](N)C[C@H](C)C(C)(C)C	384691050	WXZVOOXBYBWCIV-BBRMVZONSA-N	247.426	4.711	0	10	BJAE	
C1CCC(CCN[C@H]2CCCC23CCCC3)CC1	385866754	XWPGXENWSSZXLJ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H](C)Oc1cccc(NC[C@@H](C)C(C)C)c1	386781103	JTPDXDAPSVAZTH-ZIAGYGMSSA-N	249.398	4.568	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccsc2Cl)C[C@H]1C	387275721	UMJGHIPEQMYZQS-OPRDCNLKSA-N	243.803	4.638	0	10	BJAE	
CCCC1(CN[C@H]2CCCCC2(C)C)CCC1	391821539	OTMDZOUSQCUOSO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H](C)C1)c1ccoc1	394129636	KTHCVPKGWCBIOZ-SQWLQELKSA-N	249.398	4.537	0	10	BJAE	
CC1(CN[C@@H]2CC3CCC2CC3)CCCCCC1	394647272	XMCMXFGKIVLXBO-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CSc1c(F)sc2cccc(C(F)F)c12	396235553	HSZBKPJYLMRGCA-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
Cc1ccc(C)c(OCCC(C)(C)C2CC2)c1	405956681	LEHXCFNYVRNPMT-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CC[C@H]1[C@@H]2C[C@@H]1CC=C2CCC=C(C)C	575328840	RCHZVZIFPPHIAK-RRFJBIMHSA-N	204.357	4.725	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1ccc(C2CC2)cc1	690077389	AAXFLBIXGUKQTA-BLLLJJGKSA-N	229.367	4.555	0	10	BJAE	
CCCCCC[C@H](NCC)C1CC2(CCC2)C1	691922870	YBUMFMOUXVTTKF-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCCC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	697850073	KDNROSHXAVLGSX-CZUORRHYSA-N	236.399	4.764	0	10	BJAE	
CCN[C@H](C1=CCCC1)[C@]1(C)CC[C@H](C)C1(C)C	699011358	IZKHRUFPRWCPFA-LXZKKBNFSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)[C@H](NC)C1CCC(C)(C)CC1	701131875	DPISRTIIEWYFRU-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1(Nc2ccc3ccccc3c2)CC1	701489622	SQKSTVZYABJEHD-UHFFFAOYSA-N	239.362	4.830	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@H]1CCCC[C@@H]1C	704813363	AESZYTGCALFNNP-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H](C1CCC1)C1CC1	705305744	YUEPRELPYWJTAN-HNNXBMFYSA-N	249.785	4.639	0	10	BJAE	
CCC(CC)(CC)NC[C@H](C)CC(C)(C)C	709217849	FGCKGJQUKSIYHZ-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C	710770714	SXGIUPAJFJMTEX-QCQGSNGOSA-N	238.415	4.700	0	10	BJAE	
C[C@H](CCCC(=O)c1ccccc1)C(C)(C)C	711152686	CLIZNPMUKWOPSS-CYBMUJFWSA-N	232.367	4.722	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)C[C@@H](C)C(C)(C)C	711182519	JRCVZXHQIWESNT-JWAFFJSPSA-N	239.447	4.783	0	10	BJAE	
CC[C@@H](C[C@H](O)c1cc(C)ccc1C)C(C)(C)C	711211449	PCWWFBQUPQLTGI-HOCLYGCPSA-N	248.410	4.799	0	10	BJAE	
CC(C)(C)CSc1ccc(O)c2ccccc12	713305489	WHBRTNQJMPPSKN-UHFFFAOYSA-N	246.375	4.684	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714425114	RESCXTKMZXVORP-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCNCC1(CC(C)(C)CC)CCC=CCC1	718120735	XZSADJWIFCSTRQ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@@H](CCC(C)=C(C)C)NCC	718570898	DTNVDNKRNVDBNY-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CCC(C)=C(C)C)C1	719176016	CCTKLFJDVBYWAV-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CC1CCC(CCN[C@@H]2CCCC3(CC3)C2)CC1	723558545	BFRRZSYIOBDOPZ-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CN[C@@H](C2CCCCC2)C2CC2)CC1	723980975	HPGPRYOEIHDIPL-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C1CC(=C2CCC(NCCCC3CCC3)CC2)C1	1308868930	SNTXCGMAWJYXCH-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Sc1ccc(C)s1	1613868911	IAGZUSTZNMEQSI-PSASIEDQSA-N	214.399	4.583	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)c1ccc(C)s1	1905442471	DHOBDZOYTQJHSI-STQMWFEESA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](C)CC(=O)C1CC2(CCCCC2)C1	1912628073	GZOBPFPFFIIAEY-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CCC(C)(C)CC	1919939189	AEWKHDZBHCACLN-UKRRQHHQSA-N	228.420	4.780	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)c1cccc(C2CC2)c1	1920202184	KFSUOCJILJUEFO-CXAGYDPISA-N	245.410	4.564	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H](C)c1ccccc1	1920205234	WACPOZYSQKGIPE-NVXWUHKLSA-N	247.426	4.868	0	10	BJAE	
CCCC1CC(CN[C@H](CC)C[C@@H](C)CC)C1	1921225849	VJVBVZAPRKTYMQ-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)[C@@H]1CCCC12CCC2	1921620920	RAMPOYDYNYFCBA-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CCCNC[C@]1(C[C@H]2C=CCCCC2)CC1(C)C	1925757049	KNVZENHRTWBWKW-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(F)cc1CC[C@H]1C=CCCCC1	1925840318	YSUYPIPTKHFFFS-AWEZNQCLSA-N	232.342	4.813	0	10	BJAE	
COc1c(C[C@@H]2C=CCCCC2)ccc(C)c1C	1925843734	NLBQQHXPNGRCHM-OAHLLOKOSA-N	244.378	4.601	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@H]1C=CCCCC1	1925888825	HZMBPPNKAXJYSF-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCNC[C@@H]1CCCC[C@H]1C[C@H]1C=CCCCC1	1925890358	DWZDLWPZSVJGDI-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)C[C@@H](N)CCC=Cc1ccccc1	1926376542	QNLJESAOFOYMAS-KRWDZBQOSA-N	245.410	4.634	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](CC)c1ccsc1	1937264899	DSBXZSMDJXOKGO-TZMCWYRMSA-N	239.428	4.615	0	10	BJAE	
CCC[C@H](C)C(=O)c1cccc2sccc12	1938277383	GRNDVUFQYBTXBP-JTQLQIEISA-N	232.348	4.520	0	10	BJAE	
CCCC[C@@H](CCC(C)(C)C(C)C)NCC	1939111540	MDUKWIAMSFBCJB-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@@H](Nc1ccsc1)C2	1939222479	SHUOQZNTFBNNID-BNOWGMLFSA-N	235.396	4.519	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC1(C)CCCCC1	1940407492	JFEWVALXKIPCSY-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CC1CCC([C@H](O)CCCCCC2CC2)CC1	1941576362	SUHAJKDMQIIVLU-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@](N)(CCCCCC2CC2)C1	1941590941	HAYLMKOMFNMGJC-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC1CCC=CCC1	1941792588	HMGZTYKWVSERFX-ZDUSSCGKSA-N	236.399	4.764	0	10	BJAE	
CCN[C@H]([C@H](C)CCC(C)C)[C@H](C)CC(C)C	1942658123	PAGKTDPLWNLCNU-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C)(C)CC1(N)CCC2(CCC2)CC1	1944602737	UQJUCEMCWQURDM-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCNCC(C)=CC(C)(C)C1CCCCC1	1946190462	RLYCPTIKRBQCJF-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCCCCCC1CC1	1947462312	LVHQDVMLRUYDRZ-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC(F)(F)CC)C(C)(C)CC	1947883363	OEJJVSIHDAXXQA-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
Cc1cccc(N[C@@H](C)[C@@H](C)CC(C)C)c1F	1948329137	YKSASJHJPWQRQZ-STQMWFEESA-N	237.362	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CCC1=CCCCC1	1949051542	OXQKZNRNZJNOIY-JKSUJKDBSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@@H]1CC[C@@H](C)C1	1949518432	MBDTTWLDROEPIG-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(OCCC)cc1	1951308139	AJVGERLUHWMHEG-CQSZACIVSA-N	232.367	4.935	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CCC[C@H](CC)C1	1963238401	RIAKDWGTCCUJFM-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
c1ccc(N[C@@H]2CCCC3(CCCCC3)C2)cc1	1968245931	MUHOOCYQHKVPGA-MRXNPFEDSA-N	243.394	4.992	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)c1ccc(C)cc1	1968547628	ITCLLHVZVIFWLN-HNNXBMFYSA-N	247.426	4.862	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cc(C(C)C)ccc1C	1968595727	AFXXAYODZVIUQJ-OCCSQVGLSA-N	233.399	4.965	0	10	BJAE	
CC[C@@H](NCCC1CCCCC1)c1occc1C	1968849354	QMMFEZHRWILWPJ-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCC(C)(C)CNC[C@@H]1CCCC(C)(C)C1	1973171333	NLWQJRVUVRZVIX-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@@H]1n1ccc2cccc(Cl)c21	1982612746	QKOJFPFULPGBKT-MFKMUULPSA-N	233.742	4.656	0	10	BJAE	
C/C=C/CCCC1(N)CCCCCCCC1	1984575833	RWOBPONPHVYNTR-NSCUHMNNSA-N	223.404	4.565	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1(CC)CCC1	1990094117	RVEQPFLGGVSWGD-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1C(=O)CCC[C@H]1C	1994318093	MTEXRTDVGWXVQP-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@@H]2CC[C@@H](C)C2)CC1	1996273168	SMTHRYUQHKTCHU-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C(C)(CC)CC)CC1	1997118715	ZMBONUJMLXCPRJ-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC[C@H](C2(N)CCCCCCC2)C1	2000046810	BQUUZHTWJVKPBL-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CN(C1CCCCC1)[C@@H]1CCCC(C)(C)CC1	2000896346	JIVYPTPOBSKITE-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CC2(C)CCCC2)C1	2002974643	RRQGHGNJCWEYIM-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2003014019	AKRVVZSUHKAKMZ-RZLSGREXSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)CCN[C@H](C)[C@@H]1CCCC(C)(C)C1	2003017570	IYZHPFXOSDTMCV-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)[C@H]1CCC[C@H](C)C1	2003023688	YPKYCBKIKFCPMG-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CCCCCC[C@@H]2O)C1	2003101444	WUQYAZUBRIDEDK-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H](C)C(C)(C)C	2004231667	AYOFIUSLIPUQDY-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CC[C@@](O)(C1=CC[C@H](C(C)(C)C)CC1)C(C)C	2010723793	WQJQWPOCIGDXMV-BBRMVZONSA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@@](C)(N)CC1CC(=C2CCC2)C1	2011048404	JRXHWBLAHDYCFA-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC12CCC(CC1)C2	2013271844	WHPYZJXDAUHQSL-UYSNPLJNSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(CC[C@@]1(C)CCC[C@@]1(C)O)C(C)C	2015346178	BMLULVYDWGTTGK-HZPDHXFCSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](C)NCCC(C(C)C)C(C)C	2015360760	LNOOMDBCNVIJNS-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@@H](C)C[C@]1(N)CCC2(CCCCC2)C1	2015409426	QPWHOOOYJAVAQS-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2CCC[C@@H](C)C2)CCC1	2015597120	ZZTIQYNIJBPVCB-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCC(C)C)C1(CC(C)C)CC1	2015748799	IEDRJGUCRBBRQG-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CN[C@@]1(C)CCCC(C)(C)C1	2017625412	YZLYHDWCUYWADI-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(C)CCC[C@]2(C)O)CC1	2017714006	CSKYSWNNLSSALE-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1CC[C@H](C)CC1	2017725672	UBNUTOCGHCQJGH-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CCC[C@H]2C)CC1	2017773364	ZRGXWBATEWIJGY-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)CCC[C@H]1CC1(C)C	2018136442	LDUNEPJOKSTXFW-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CCCC2(CC)CC)C1	2019186137	KVGBEHAPCIYASZ-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H](CC)N(C)[C@@H]1CCC12CCCCC2	2019259600	ZGLRTTNDVINMCA-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N(C)CCCC(C)(C)C	2019326032	QZFZDWZQEJJMQR-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@H]1[C@H](C(C)=C(C)C)CCCC1(C)C	2020351995	PEGXDJXMEVHMQR-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCC(=O)[C@H]1C[C@@H]1C1CCCCC1	2022416739	GBWJSTZXGABUIS-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(O)CCCCCC1(C)C	2022453714	IMABALFQNSTLMO-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCNCC(CC)(CC)C[C@H]1C[C@@H]1CCC	2022501591	JNALPXFPGHGYOI-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCC[C@H]2CCCC[C@@H]21	2022991375	JHGAASYPDTXTDQ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]1[C@H](CCC(C)(C)C)CCC[C@H]1C	2024001281	QCFJWNOIUPXMLN-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc([C@H](O)CC[C@H]2CC2(C)C)c1	2027813255	USXRNDBMNLYYTE-JKSUJKDBSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1ccc(C2CC2)cc1	2028592789	HHTSFODZOKULPN-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CNC[C@@H]1CCCCC[C@@H]1CC1CCC=CCC1	2028875124	CUXJFBNSGDRHSZ-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)C1(C)CC(C)C1	2029103320	ATQWIQAELFHDEP-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@H](N)C2=CCCCCCC2)C1	2030249707	FZRKBCKLGYZFRB-ABFRBSLYSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](NCC[C@@H](C)C1CC1)c1ccccc1	2032227352	YPPOLCWAIYRKDM-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)[C@@]12CCCC[C@H]1C2	2035426805	VXBMQPCRTDGWKC-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCC1)C1CCC(C)(C)CC1	2035592224	NIVPFRMPZKZFNQ-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	2036668751	VPZKTSBSDOHEGK-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H]2C=CCCC2)cc1	2039439663	ZMCHPAMMBBZJCN-GJZGRUSLSA-N	243.394	4.968	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H](C)C12CCC(CC1)C2	2039864020	FUUIKSVBPTZTOO-FUJMWEONSA-N	247.357	4.515	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC1(C)C)[C@@H]1C=CCCC1	2043187753	ODTOHTNIKNXBSE-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1C[C@]1(N)CCCC2(CCCCC2)C1	2043454153	JGYLSVFHHQGFFC-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CC(C)=C[C@H](C)C2)C1	2045559645	BFYQGEVPIDOZRB-UKMLZYKCSA-N	248.410	4.764	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@@H]1CCC12CCC2	2047943719	SXRXQAAYDGPNPQ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2[C@H]3CCCCC[C@H]32)CC1	2048373862	KEPYWVJROLVODS-YWULMLBCSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](N[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2048381821	IMAJLNKPQOUKTM-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](CNC[C@]2(C)CC=CCC2)C1	2049508061	GDWSAXRGWRFASO-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC1CCC2(CC1)CC2)C1CCC1	2049855587	MHBSMVQNUWVREW-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@@H]1CCC2(CC2)C1	2049863513	YHMUBEKYUCELSA-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)C[C@@H]1CCCC2(CC2)C1	2049929537	NQYXVSNIOMCUMN-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)CC1CCC2(CC1)CC2	2049934196	UVWPKURDDVCGND-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(N)C3CCCC2CCC3)C1	2050012030	LGHMOQKSCMFKJR-MOINJDMASA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@H](O)CC[C@H]2CCC[C@H](C)C2)c1	2050429340	YAJIIXPFXROLNX-YSVLISHTSA-N	246.394	4.635	0	10	BJAE	
Cc1cccc([C@@H](O)CCCC[C@H]2CC2(C)C)c1	2050429795	KRCRGWICWVHYSJ-HOTGVXAUSA-N	246.394	4.635	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CC23CCCCC3)CC1	2051600808	YQOKZFVOKNJFGM-PCKAHOCUSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC(C)=C1C)c1ccccc1	2055538270	APKYAUSUXRKAOT-SJORKVTESA-N	243.394	4.616	0	10	BJAE	
CC1=C(C)[C@](O)(C[C@@H]2CC23CCCCC3)CCC1	2055610684	IPABWMUVRFOKSZ-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)CC(C)(C)C1CC1	2056879709	VVRUNNCVXXXKTC-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C1(C2CC2)CCCC1	2057608798	JUSNNMFYJLHDBH-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC=CCCCC[C@H](NCC)c1ccc(C)cc1	2059246734	HHYQISNCOSUKTC-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CCC[C@@H]2C[C@@H]21	2059252263	GVALMKBJFWVQPH-LCALRNMESA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(NC[C@H]2CC23CCCC3)C1	2059392959	YTQHKBJBCDYMOR-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC(N[C@@H]2CCC3(CCCCC3)C2)C1	2059393960	NXCTVUFPXIXRTI-HWOWSKLDSA-N	249.442	4.658	0	10	BJAE	
C=C=CCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNCCC	2061564211	XCDWSROSXLXUSF-GVDBMIGSSA-N	249.442	4.550	0	10	BJAE	
C[C@@H]1CCCCCCN1CC1CC(=C2CCC2)C1	2061672344	QMPMAWDPPHCBRI-CQSZACIVSA-N	247.426	4.532	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)C1CC(=C2CCC2)C1	2061734694	PXFRJGZPBUECLH-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
CC=CCCCN[C@H](C)c1c(C)cc(C)cc1C	2062372135	NUGIKCJHPXBBTI-MRXNPFEDSA-N	245.410	4.619	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C23CCCC2CCC3)C1	2063822476	SIEAQWOSGKKHLX-HCEZTOJASA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C23CCCC2CCC3)CC[C@H]1C	2063850021	CELRUUVIHXTETL-UIHMZSMGSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)CN[C@H](C)c1cc(C)c(C)cc1C	2066312380	HXEVWMJHQSLAPS-MLGOLLRUSA-N	247.426	4.699	0	10	BJAE	
CC=C=CCCN[C@H](C)C1CCC(C(C)C)CC1	2067322648	YYAWKPGZQHBFGR-ALHNLYSZSA-N	249.442	4.548	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)[C@@H]1CCC1(C)C	2068235289	DNMILVXLESUEST-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)C[C@H]1CCCC2(CC2)C1	2068272681	AFDUMVAGJWHUAB-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)C2C[C@@H]3CCC[C@H]3C2)CCC1	2069288355	GINQDPNOBUESJK-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H](N)CC23CCC(CC2)C3)CCC1	2069344070	GXFANAJXNXAZJG-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C2(CC3CC3)CCC2)C[C@H]1C	2069503172	GQIQWGBHNMBAOO-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CCCC3(CC3)C2)CC1	2069506449	CQXXZBSDVUSEBU-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)C1(CC2CCC2)CC1	2069564440	RWHNUFXMURMJKU-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)C[C@]23CCC[C@@H]2C3)CCCCCCC1	2070925719	JESJPJXGHJNVFX-RHSMWYFYSA-N	248.410	4.886	0	10	BJAE	
CCN(CC1(C(C)(C)C)CCC1)c1ccccc1	2071920826	APPVZWCLBXGTRZ-UHFFFAOYSA-N	245.410	4.729	0	10	BJAE	
CC(C)C1(CN(C)[C@@H](C)c2ccccc2)CCC1	2071923087	YWFDATCGDRAAFX-HNNXBMFYSA-N	245.410	4.506	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CC1(C(C)C)CCC1	2071956060	LFYCXMBYYSPFHV-OAHLLOKOSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC12CCC2)C(C)=C(C)C	2072424604	LADXOJOLYVPXBI-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)CC2=CCCCC2)CC1	2072805004	YGQYOSANNBYLHS-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CCC1CCC(C[C@H](C)c2cccc(N)c2)CC1	2072818996	BCGDDGGATAPLRP-NFOMZHRRSA-N	245.410	4.979	0	10	BJAE	
CCCC[C@H](CC)Nc1cc(C(C)(C)C)ccn1	2073284223	AXRWQMGLZHRGTO-AWEZNQCLSA-N	248.414	4.760	0	10	BJAE	
CN(C[C@]12CCCC[C@@H]1C2)C1CCCCCCC1	2074057149	XVEHYGNSCZHPCM-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@]23CCCC[C@@H]2C3)C1	2074115343	XFQGXXYFQZQQCT-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)C1CCC2(CC1)CC2	2074896141	NLLRCBSFUQTZKO-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CC1(c2cccc(N[C@H]3C=CCCCC3)c2)CC1	2075363564	RQCVLLJDXJLYSI-HNNXBMFYSA-N	241.378	4.649	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@@H]2C=CCCCC2)CC1	2075404380	YOSGHKWZNIVIOA-BRWVUGGUSA-N	249.442	4.776	0	10	BJAE	
CCN(Cc1cccc(C)c1)C1CCCCCC1	2076548970	NJJMJCQLPAFWKO-UHFFFAOYSA-N	245.410	4.540	0	10	BJAE	
CCCCc1ccc([C@@H](N)C(C)(C)CCC)cc1	2078009828	OHKXBRZTNPGGPH-MRXNPFEDSA-N	247.426	4.855	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@@H]2C2CCC2)CCCCCC1	2079312441	QAOAKWFUAJEHQC-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2079477243	SWHIKHAQDNDTTF-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)c1ccccc1C(C)C	2079645252	PYJUOJJQWXNYKS-CPUCHLNUSA-N	245.410	4.636	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)c1c(C)cc(C)cc1C	2079863530	KJMXGVLVDMBTRT-GJZGRUSLSA-N	244.378	4.621	0	10	BJAE	
O=C(CC[C@@H]1C[C@H]1C1CCCC1)CC1CCCC1	2079867910	WHRRGTRZPJQSCC-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C)c1ccc([C@H]2C[C@@H]2C(C)C)cc1	2082715513	QHFCUNJCGZLDEN-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)C2CC3(CCC3)C2)C1	2082980616	WRKKJQROZBWPKN-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H](Nc2cccc(C3CC3)c2)C1(C)C	2084364088	UHUDFTKIEIPBQZ-HNNXBMFYSA-N	243.394	4.801	0	10	BJAE	
C(CNc1ccccc1-c1ccccc1)=C1CCC1	2136760194	JSDGSSZHQBNYEZ-UHFFFAOYSA-N	249.357	4.876	0	10	BJAE	
Cc1cc(N[C@H](C)CC(C)C)c(F)cc1Cl	2210738730	YVBBAHUJUBFSRO-SNVBAGLBSA-N	243.753	4.634	0	10	BJAE	
CCCCCC[C@@H](N)[C@H]1C[C@H]2CCC[C@H](C2)C1	2213289664	IWVJPRFTJJZRIB-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)C=CCCCC1	2213570873	ADQKYTOVNRMERF-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(O)CCCCCCC1CC1	2213580873	PSRKZSNEFHSYDK-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(O)CCCCC1CC1	2214564846	YFOZOPJSRRYOOR-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H](N)C2CCCCC2)C1	2214765946	RDSOGZVUEYCDFW-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)CCC1CCCCC1	2215260345	XREQFMYVDWNNAP-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@@H]1CCC[C@H](C)CC1	2215336647	YJFOUIRZUOXVAJ-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@H](O)CC1(C)CC(C)(C)C1)C(C)(C)C	2215394897	UUOFFUWLJLOMAZ-STQMWFEESA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCC)CC1(C)CC2(CCC2)C1	2215403505	ZVAUHRTZJWTCIQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2(C)CC(C)(C)C2)CC1	2215434858	UJMYTRUTGHJUNY-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)c2c(C)csc2C)CC1	2215817332	RCNFHJOYGVOPAM-LSDHHAIUSA-N	249.423	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)CCCC(F)F)C1	2216422181	XIAQNBAAEYEIHM-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](CN[C@H](C)CC)C[C@H](C)CC(C)(C)C	2217148893	ROBNUNOAOUVRAS-ZNMIVQPWSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)NC[C@H](CC(C)C)C1CCCCC1	2217154235	RVNDPBMFUOMESO-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1(CN[C@@H](C)CC)CC(C)(C)C1	2217157748	VLZKGXKALLFZME-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@@](N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218356022	IOVTTWQJSXMVJP-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@H]1CC[C@@H]1C	2220521410	MYSDACFRCDJUJA-QRTARXTBSA-N	245.410	4.507	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1ccc(C2CCC2)cc1	2220932854	OKJWPWKCZSZEGX-XJKSGUPXSA-N	243.394	4.802	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)c1cc(C)cc(C)c1C	2220965315	ZBPWLELHNRAKPI-GJZGRUSLSA-N	244.378	4.621	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@]23CCCC[C@H]2C3)CC1	2221644797	VFKMLRHYPGTHKH-XIRDDKMYSA-N	246.394	4.662	0	10	BJAE	
CC1=CC[C@H](CNCC2(C)CCCCCC2)CC1	2221669657	ZBJUEQIAQNPDLC-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@@H](C(C)(C)C)C1)c1ccoc1	2222268074	SAWRZQFDUMKVBL-CFVMTHIKSA-N	249.398	4.535	0	10	BJAE	
C[C@@H]1CC[C@@H]1C(=O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222982583	UBVYMTOEDWTLAQ-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2222983369	YALULEYVXGELFK-QRJUGERDSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H](CC)CCC	2244782407	MMXKBSSMFZQREJ-LTBMOJJQSA-N	225.420	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC2(C)CC(C)C2)C1	2246522986	MTYJUKJZMONEHM-IOSBVQAASA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)NCC[C@@H]1CCCCC12CC2	2246644952	VYSVJNTWWOMSMZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(NCCCC[C@H]2C[C@H]2C)c1C	2247099519	UEHOOCIFVZAPMZ-HIFRSBDPSA-N	231.383	4.542	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](O)C(C)(C)C(C)(C)C	2247167422	XCPUZZZCHVIWOC-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)C1CCCCCCC1	2247437217	YVBLQXTVRRXCBQ-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
C1=C(C[C@@H]2CCOC3(CCCC3)C2)CCCC1	2247503822	VWWXOKLQEKRAAC-HNNXBMFYSA-N	234.383	4.616	0	10	BJAE	
Cc1cc(NC2CCCCCC2)cc(C)c1C	2249492052	ZEQOGLLAPMQPIV-UHFFFAOYSA-N	231.383	4.747	0	10	BJAE	
CCCNC[C@@H](C)CC[C@@H](C)CCCC(C)C	2250489671	ARAVWVUTQOZLMZ-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCC/C=C/CN[C@H]1CC(C)(C)CCC1(C)C	2251674418	NQJWKZHLFHPHBF-VFNNOXKTSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@@H](N)CC[C@H]2CCCCC23CC3)CC1	2253839127	LZDXAQOKDDWIMD-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCC(=O)CCCCC12CC3CC(CC(C3)C1)C2	2254020606	LPESLPVAGFWQNQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(OCC[C@H]2CCCC23CC3)cc1C	2255305056	VNQJFBRKHLMRKW-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
Cc1ccc(C)c(OCCCCC[C@@H]2C[C@H]2C)c1	2257250517	ZSFMYNTVTXZTEE-HZPDHXFCSA-N	246.394	4.899	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@]12CCCC[C@H]1CC2	2260525565	WDUZOUYFWCGDJU-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@]1(C[C@@]23CCCC[C@@H]2CC3)CCCN1	2260582866	LQSLBLNPJFVUME-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@@]12CCC[C@H]1CC2	2260602946	GSPJNBOEYFZMQD-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H](Nc2cccc(C3CCCC3)c2)[C@@H]1C	2260663763	SNZZOYIYIMGCJJ-XNJGSVPQSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](CC2=CCCCC2)C1=O	2261435756	NSZHUDDIOKBUFT-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@@]12CCC[C@@H]1CC2	2298707102	MLJFJMUKAUUVPZ-ZENOOKHLSA-N	236.399	4.598	0	10	BJAE	
CCC1(CNc2cc(C(C)C)ccc2C)CC1	2300460039	RLEYISXJCRARPJ-UHFFFAOYSA-N	231.383	4.721	0	10	BJAE	
CCCNC[C@@]1(CCC(CC)CC)C=CCC1	2300684917	ZBAMGFYQIBTPAE-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC(C)=CCNC[C@@H]1CCCC(C)(C)CC1	2300868271	WVEVUXYIQBSUDQ-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC(=CCCCCNC(C)C)CCCC(C)C	2300880683	NZBLVFVRJIUFHP-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C(C)(C)C1CC1	2300907849	XAHANWFHXPNRFV-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)CCC1=CCCCC1	2301922327	XVRUTYOVWJEWJT-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CCC1=CCCCC1	2301926254	NBNNUTDAHYFXOX-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CN[C@@H](CCCCC1CC1)CCCC1CCC1	2302571708	MXQMNKUUOOZQPT-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)CCCCC2CC2)CC1	2302573449	FEGWRWKNNWUOCR-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)CCC2CCCC2)C1	2302675866	PJQCZYABSWNYND-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H]2CCCCCC2=O)CC1	2303575555	LSTPNIIFXFENSP-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
CCCCCC[C@@H](O)CC[C@H]1CCC(C)(C)C1	2304351709	KGCUQIHWHCPVPW-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)[C@H](CC[C@@H]1CCC(C)(C)C1)NC	2304409302	HTDXTLSWZLBJSH-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc(C2CCC3(CC2)CC3)n1	2307692785	ISCTUZXXXJKTPR-ZYHUDNBSSA-N	247.407	4.704	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(F)c1cccc(N)c1	2307910473	OLBYSCDMJVKASY-IUODEOHRSA-N	237.362	4.670	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	2310426940	OCTMUXSXWQYHEA-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CCC[C@@H]2C[C@H]2C)cc1	2310431088	JAVIYSXVIDBVEA-XYPHTWIQSA-N	246.394	4.670	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@H]1C[C@@H]2CC[C@H]1C2	2312909235	JMNZLVRBCZCCFQ-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CC1)N(C)C1CC2(CCCCCC2)C1	2313648407	PKJKLUOVCFGXDF-CQSZACIVSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)c1ccc(CC)o1	2316511200	YYKGEGVAKVDRMH-OAHLLOKOSA-N	249.398	4.629	0	10	BJAE	
C[C@](N)(C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1	2316873427	GQCQMEGIEYAJSM-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1C[C@@H]1C1CCCC1	2317016893	WECKBZXCKADUPD-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317144333	XEYFSTQHIOVNFK-KFWWJZLASA-N	248.410	4.620	0	10	BJAE	
CC(C)(C)[C@@H](N)CCC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317148431	MDNRJWNVTRRDOB-WCVJEAGWSA-N	249.442	4.523	0	10	BJAE	
CC(C)C1CC(C[C@H](N)CCC2=CCCCC2)C1	2317905997	CTUBJGWXMXIYRB-OFLPRAFFSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)CCC2=CCCCC2)CC1	2317906249	GDEYCLXIIOSBFB-PBHICJAKSA-N	247.426	4.731	0	10	BJAE	
CN[C@@H](CCCC1CCC1)CCC1=CCCCC1	2317973012	BXHUPGSZVFLWLR-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
N[C@@H]1CCCC[C@H]1CCC1C[C@H]2CCC[C@H](C1)C2	2319001771	WCSNUUNMGXXFCL-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cc(F)ccc1C1CC1	2319175743	JGKFBLDNXCSOPZ-MRXNPFEDSA-N	249.373	4.529	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CCNC3(CCCC3)C2)C1	2319321402	VHZLPWMINTXQDT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](O)C[C@@H](c1ccccc1)C1CCCC1	2319679829	KBTJYBFAABKNBG-IRXDYDNUSA-N	246.394	4.512	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@H]1CCC(C)=C(C)C1	2320339429	DNVCMTDFKUKOGV-GVDBMIGSSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCC[C@@H]2C(C)C)CC1	2320341334	TVWWKIRJMPIZGZ-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CNC(C)(C)C2CCCC2)CC1	2320416560	LIIGITMTNOIWHR-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)c1cccc(C(C)C)c1	2320527541	MLGXAZXFMHQPOV-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CCC[C@H](CCCc1cccc(C(C)C)c1)NC	2320633971	UAVUVLUJZLRKGJ-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CCC[C@H](CC)CC(=O)Cc1ccc(C)c(C)c1	2328098191	SULANUZYNAPRMP-HNNXBMFYSA-N	246.394	4.631	0	10	BJAE	
CN[C@H](CC1CCCCC1)c1ccc(C)cc1C	35468118	HOSMQNVUGIISEV-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
Cc1cc(C)c2c(Cl)cc(C(C)C)nc2c1	36912985	OTEZEZFUNIGQAJ-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](CC)C1CCCCC1	69378870	BNQHBEYMTKXQKO-CVEARBPZSA-N	239.447	4.904	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccc(Cl)cc2Cl)C1	70747806	JCGGDCRPBHDRCA-PSASIEDQSA-N	244.165	4.594	0	10	BJAE	
CCC[C@H](C)CNc1ccccc1SCC	71104742	JMNZXCWNRUARSI-LBPRGKRZSA-N	237.412	4.647	0	10	BJAE	
CCCC[C@@H](CC)CC(C)(C)CC(C)=O	82816185	PATYZKXZEAWOJA-CYBMUJFWSA-N	212.377	4.598	0	10	BJAE	
Cc1cc(C(=O)C2CCCCCC2)cc(C)c1F	87715431	NHYFICGEWDNGFP-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCC[C@H](NCC)C1CCC(C(C)(C)C)CC1	87988006	OYHPPMSXCGDOLX-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@H](N)CC2(C)C	94270305	CXIZKYPKAXPSAI-OAHLLOKOSA-N	245.410	4.615	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCCCC1(C)C	94279173	JKLMHIJTWSDKGS-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CC(C)c1ccc(N[C@H](C)C2CCCC2)cc1	109754553	FJZFSUSEEHZSOH-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)C1CCCC1	115036727	HQWWHNFJDSOQCK-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](CCCCC)NCCC	124824046	FAMITMDJXHTXOW-HNNXBMFYSA-N	227.436	4.905	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)c1cccc(C)c1C	163481511	AFAODGBTPPBXKN-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1CC(CC[C@@H](O)c2ccccc2)C[C@H](C)C1	220388940	ZHKXURJWTYCJOV-KJFZJZGVSA-N	246.394	4.573	0	10	BJAE	
CC[C@H]1CCC[C@@H](CC[C@@H](NC)C(C)(C)C)C1	227182152	UYFAZYQHUHMVKO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C2(C)CCCCC2)cc1C	235838729	NPLDAXIFUQQWQZ-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](NCC)[C@H]1C	251314664	JIBCDUDABYTHQB-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H](F)c1cccc(Br)c1	258451072	HWBFLBTWPBHXAJ-SNVBAGLBSA-N	245.135	4.506	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@@H](C)CC(C)C	300838539	CVVILNZCYCOBJG-LSDHHAIUSA-N	227.436	4.604	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@H](C)CC2)ccc1C	302334743	SSBBMSWWFOIXCA-XJKSGUPXSA-N	245.410	4.938	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC(C)C)C(C)(C)CC	302421031	UHPNGBKGIWFHLI-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](CN)c1ccc(C(C)C)cc1	302531368	GPTDQHBAYPLDCX-WMLDXEAASA-N	247.426	4.535	0	10	BJAE	
CC[C@H](CCC1CCCCC1)CNC(C)(C)C	305944064	LXRGWDBYEUNVFP-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@H](CC(C)C)C[C@H](C)CC(C)C	305991640	SXQZEGJQTHWIDH-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CSc1c(C)ccc2sc(Cl)cc12	307150407	TXFFWRSNXISNIL-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1ccc2sc(Cl)cc2c1Cl	307264485	BTFYDLPFXMGHAV-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
C[C@H](CCC[C@@H](N)C(C)(C)C)C1CCCCC1	310334397	MJLRKBWROWGHCI-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](C)(CNC1CC1)CC1(C)CCCC1	310449190	XQGZVSILNMNTFQ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)NC[C@@]1(CCC2CCCC2)CC=CCC1	317297979	MDOZCGOHPRBJNW-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC(C)(C)C)CC[C@@H](CC)C1	318092478	XQNXTWONZHJWMF-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@]1(CNC(C)(C)C)CCCC[C@@H]1C	318715694	KDELNMBRTCYRGI-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)Cc1ccc2c(c1)CC[C@@H](C)N2	319654076	PJTZNSTUBFHGES-BFHYXJOUSA-N	245.410	4.658	0	10	BJAE	
CC(C)c1ccccc1-c1ccc(Cl)cc1N	379738635	FCIJXJBBXKBCPZ-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H](C)CC(C)C)NC	382668002	YBQHXESUGHQSQO-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
C/C=C\CCN[C@@H](c1cccs1)C1CCCC1	382982214	GHLGNONXSVYHPI-MPNWYJEXSA-N	249.423	4.535	0	10	BJAE	
Cc1ccc([C@H](C)NCCCCCC(C)C)cc1	383166822	KCNFQTCPGRRVLB-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@H](C)c1ccccc1	384344883	YOQUGHDLLMVKBM-YQQAZPJKSA-N	248.410	4.758	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1Nc1ccc2ccccc2c1	385424389	BZZHYFUIFPZWSZ-NVXWUHKLSA-N	239.362	4.686	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCCC23CCCC3)C1	385586410	GZUGAZINMVZGGV-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)CCCC12CCCC2	385624838	RDHSPUZEPCFZCC-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@H](O)CC1(C)CCCC1)CC(C)(C)C	393842606	KCMDVBWKVVTMSV-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CSc1cc2cc(C(F)F)sc2cc1F	396231829	AYGPOYUDSKQBIL-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
Cc1ccc(S)c2scc(C(F)(F)F)c12	396295560	GFYWUTFIQZHCHD-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC[C@@H](Nc1cc(C)ccc1C)[C@H]1CC1(C)C	397574818	FXZUJYQCSQHRSH-ZIAGYGMSSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC(CC)(CC)CC	401964916	SJWXEIBYIRGLCA-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CCC(C)(C)C1CC1)NCCC	405803287	KOHSOLDQRHILIA-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H]1CCC/C(=C\Br)CC1	606288520	ZPCIPGABGKWBDI-RJCSOLBVSA-N	231.177	4.502	0	10	BJAE	
CC(C)C1(CNc2cccc(Cl)c2)CCC1	687272073	ZREMKBAIPXISLB-UHFFFAOYSA-N	237.774	4.578	0	10	BJAE	
CCCC[C@H](CCC)NCC1(CCC)CCC1	687525462	RDMOBZBNPGYTHQ-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCC1CCC1	688406899	YBRCSFAMHCRCOP-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CCCC1CCC1	688822413	XSKIVZJYCIZRAF-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1cccc(-c2cccc([C@H](C)O)c2)c1	688958890	GVUDSYYPLZGEHP-ZDUSSCGKSA-N	240.346	4.530	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccc(C2CC2)cc1	690102217	ISCDPDRMMAWFAO-SUMWQHHRSA-N	243.394	4.945	0	10	BJAE	
CC1(C)CCCC[C@H]1NC[C@H]1CCCC2(CC2)C1	695696005	ZFTWQTNYLIOBEA-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CCCC2(CC2)C1	695721263	BLUXFCSNRZRQGA-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)[C@@H]1CCCC[C@@H]1C	696679403	SMDDYLJRAYBFQS-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1(CCC)CC1	697755647	KLZLIMFPDAVKAW-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCSc1ccc([C@@H](N)CCC=C(C)C)cc1	697758965	BEZRTGHVSQJDMQ-HNNXBMFYSA-N	249.423	4.545	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC2CCC1CC2	704959694	VXHPWMBFOISANP-SLTXQBBLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1C[C@@H](C)CC(C)(C)C1	708308074	OVDUEBGZTVEAEN-QLFBSQMISA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](C[C@H](CC)C(C)(C)C)NC	711079515	GBXWSYRQAJKAIM-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](CNC(C)C)C(C)(C)C	711244930	IJJBODUGWSXXSU-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(O)CC1(C)CCCC1	713030850	LIDNPEPSSAZKDV-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@@H]1CCCC12CC2	719308394	NEYVQSKNKXVCLC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CC[C@H]2CCCC[C@H]2C1	723617239	ZIKGLEGOPWZEIT-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](NCC1(CC2CC2)CC1)C1CCCC1	1207348654	SAHJAXWNHBXUCH-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C1CCN(CC2CCC3(CCCCC3)CC2)CC1	1651909003	SYFZOMPMIDUQFN-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1	1657218502	UZSJANLSHBEWHR-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CCCN(Cc1ccccc1)[C@@H](C)[C@@H](C)C(C)C	1889160984	FWJYOZBSLQSILP-HOTGVXAUSA-N	247.426	4.579	0	10	BJAE	
CCCC[C@](C)(CCC(CC)CC)CNC	1900698556	VTUIUBSTXCUXDA-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCC[C@](O)(CC)C[C@@H]1C[C@H]1C1CCCCC1	1910694607	VLPPZYOFIMDCIA-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](CCC(C)(C)C)NCC	1910743692	QHMAJSYGYRLPNW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC[C@H](N)CC1CCCCC1	1910749610	VUOZNHFBTIYFOO-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCC3(CCCC3)C2)[C@H](C)C1	1916443055	UAAYNXACNGIRPQ-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CCC(C)(C)C1CC1	1919936586	BXYLABQDPNBBJL-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1CC[C@@H](C)[C@H](C)C1	1919977764	WCLNRBXXJJPDFU-FPCVCCKLSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@](C)(O)c1c(C)csc1C	1919977967	XAAKCTIOVVFBQG-AWEZNQCLSA-N	240.412	4.543	0	10	BJAE	
CCCCCC[C@](C)(N)c1ccc(C2CC2)cc1	1920186344	GPVJKMYSUCQRFN-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)c1ccccc1C(C)C	1920200226	YLHNKKXWIKYUES-PBHICJAKSA-N	247.426	4.810	0	10	BJAE	
CNC[C@@]1(CCCC2(C)CC2)CCCC12CCC2	1921610041	KRGUJSTWRXVKLD-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H](C)C2CCCCC2)c1	1924100909	ORSLLDUQFBRPJY-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C[C@H]2C=CCCCC2)C1	1925735189	DMZBPZUMUTXRHW-XUWVNRHRSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2C=CCCCC2)CC1	1925797194	HKPQSCXUKKDPDZ-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H](C)C2CC2)CCCC1	1940718958	JGJLXDSNFRDAFT-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)CCC1(C)CC1	1940800749	RCJLSFMJNNRHLE-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1[C@H](C)CC[C@H](C)[C@H]1C	1940845685	HASKKYYBLMXPNX-ZVDSWSACSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)CC(C)(C)C	1940866748	GHCQKXLCJBVWII-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)CC1CCC=CCC1	1941791435	FRBSOPOTSVZLRN-AWEZNQCLSA-N	237.431	4.523	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@@H]1C)CC(C)(C)CC	1944847136	VBHUHTSWGHLGAL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(C[C@H]2CCC[C@H]2C)CCCCCN1	1944847836	YZFOQUZRTYQNMD-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1946283899	HNXFKRHXBWAJLA-JONQDZQNSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@](C)(N)c1ccc2sccc2c1	1949025776	CQEBPCLTHXIKRA-HNNXBMFYSA-N	247.407	4.656	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2CC(C)(C)C2)CC1	1950929326	GITVMWCYOLXCJV-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)N(Cc1ccccc1)CC(C)(C)C	1953230306	BNHZIMZODOTFQG-HNNXBMFYSA-N	247.426	4.579	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C[C@H](C)c1ccccc1	1962915579	XYVSVXSADLWBOR-HOTGVXAUSA-N	247.426	4.547	0	10	BJAE	
CC(C)[C@H]1CC[C@H](NCC(C)(C)C2=CCCC2)C1	1962927692	HGGODBKPODBXGN-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCCC(CCC)NC1CC(CC)(CC)C1	1963218537	VUNMISNYPAOFCM-UHFFFAOYSA-N	225.420	4.514	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC2(CCCCC2)C1)C1CCC1	1969750836	ZXPKUGXOHSAGNG-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCc1cnc([C@H]2CCC[C@@H](CC)CC2)s1	1976348945	GLBLJKXVSFGKEI-NEPJUHHUSA-N	237.412	4.779	0	10	BJAE	
CCCC[C@@H]1CCCCCCC[C@H]1NCC	1980342430	SOZRFGIVGIYFND-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCC1CCC(CC(=O)CCC(C)C)CC1	1989837866	YZAKHRQLCIYNHV-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC1(CC(=O)[C@H](C)CC(C)(C)C)CC1	1990597814	ZLFKHPXKJADVTE-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC(C)(C)CC	1990762656	KRSMBUQIVVHPEE-CQSZACIVSA-N	227.436	4.571	0	10	BJAE	
CCCC[C@@H](N)CC[C@H]1CCCC(C)(C)C1	1994028262	BXYROBBAFTZTNB-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CC[C@H]1Nc1ccccc1SC1CC1	1996548014	IPMICNHBIKNIHX-CQSZACIVSA-N	247.407	4.542	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](NC)C(C)(C)CC)CC1	1997104177	JCVHGXCWVMIEPB-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCNC[C@@]1(C)CC=CCC1	1997580526	CXNQAVKXOUANLL-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C[C@H]2CCC=CCCC2)C1	1999984158	VDXJBFWRJKVOMQ-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CCCC[C@](C)(CNCC)CC1(CC)CCC1	2000505802	VBRACJGMIRPCNZ-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@H](CC)CC1(CO)CCCCCC1	2000655563	PLWFJAGJZAEEMX-OAHLLOKOSA-N	240.431	4.926	0	10	BJAE	
CC(C)c1ccccc1NCC1(C)CC=CC1	2001694763	UPZPEKJSEOCYMC-UHFFFAOYSA-N	229.367	4.578	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CCCCCCCC2=O)C1	2003070279	KOUZPNIHWMPEDZ-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)[C@H]1CC[C@H](C)CC1	2003104401	UURQNMSPBWPPBI-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2(O)CCCCCCCC2)C1	2003111993	QJKLAZSJKSLAOX-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCCCCC1(O)CCC(C)(F)CC1	2005942556	HTKXVZVHHITYCR-UHFFFAOYSA-N	244.394	4.626	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H](C)CCC(C)(C)C)CCC1	2006916481	SLQSVZLTVXZZDY-ZFWWWQNUSA-N	237.431	4.680	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)C1(C)CCC(C)CC1	2007694148	GSFUMWZQPHKMRA-PYBGIAKNSA-N	239.447	4.617	0	10	BJAE	
N[C@H](C=C1CCCCC1)CC1CCCCCC1	2007936058	AFYWJLRYJUEKTJ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)c1ccc(C)s1	2007943360	FBUSJAFKCHCGEJ-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)CC[C@@H]1C[C@@H](C)CC	2009410773	LPACXVFUEJADKL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@](O)(CC)CC1CCCCC1	2009596488	RKIUDYNCAUSRSU-WMHVBEDNSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@H](CC1CC(C)C1)NCCC	2009618180	ZSRAYJVUKNOFPX-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1(C)CC(C)C1	2009620779	YANYXRVASROZLZ-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(O)([C@H]2CCCC[C@@H]2CC)C1	2009713557	BTERZFQXQKWXEW-PYBGIAKNSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011984383	XWKJNXNGMPYDJM-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)C1CC2(CC2)C1	2012414377	XOMYMSZHZNLOST-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(C[C@@]1(O)CCCCC1(C)C)C(C)C	2015284633	PJCFABSYFCVUQL-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CC(C(C)C)C(C)C)C1	2015375576	CCEBCPZSCWZQNV-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CCCNC[C@@]1(CC(C)=C(C)C)CCC[C@@H]1C	2017464987	CSTHXJBGSWWJBC-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)C1(C)CCCCCCC1	2017478932	WZKSVRSASUDKTQ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)[C@H](C)C(C)C)CC1	2017650091	CUCHZTNBWNISQT-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(C[C@H](N)CC(C)(C)C)CC1	2017728312	KDEYCJJPPPLRDQ-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](CC(C)(C)C[C@@H](C)NC)CC1	2017730113	DBVSHSQMZKEFDN-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2CCC2(C)C)CC1	2017771460	LADHFLKWTURTQV-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1CCCC1(C)C	2018129826	LHSDLJBPEVKSTH-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCSc1ccc(C(=O)CC2(CC)CC2)cc1	2018926687	ZKPWARQNAKTPCW-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC1(C[C@]2(O)CCCCC[C@@H]2CC)CC1	2018965440	QYTLBXQMOVVCOI-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@]2(O)CCC[C@H](CC)CC2)CC1	2018980152	NECQYVOLKPIDQC-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)N(C)[C@H]1C[C@@H](C)CC(C)(C)C1	2019299662	LLGNRKHWQSMSBI-ILXRZTDVSA-N	239.447	4.568	0	10	BJAE	
CCCN[C@@H]1[C@H](C(CC)CC)CCCC1(C)C	2020365088	VFIJLGKWSRPDRX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1ccccc1C1CC1	2021026306	QAKFMJWCXGBWFI-DOMZBBRYSA-N	229.367	4.555	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@H]1C[C@@H]1C(C)(C)C	2022560674	QKLJWTXKZNWLSM-RZLSGREXSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](O)(CC1(C)CCCCC1)c1ccccc1	2027312551	WTRQRFODFWNQBQ-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1(C2CCCCC2)CC1	2027372582	FYGIXOGHZRDDQX-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)CC1=CCCCC1	2027822950	UARODYHBNMHIHW-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CC=CC[C@@]1(CN)CC1CCC(C)(C)CC1	2027924063	QXPYDFCEONXLMF-YOEHRIQHSA-N	249.442	4.524	0	10	BJAE	
CN[C@H](c1ccc(C)cc1)[C@H](CC(C)C)C(C)C	2028265043	QPFFPMZEOUGDTG-IAGOWNOFSA-N	247.426	4.574	0	10	BJAE	
CC[C@H](C(C)C)[C@H](NC)c1cc(C)c(C)cc1C	2028265358	RQUAFDVYVBCTTP-WBVHZDCISA-N	247.426	4.555	0	10	BJAE	
C[C@H](C[C@@H](O)C=Cc1ccccc1)CC(C)(C)C	2028586731	VMQWLSUMPFHXQN-ZBFHGGJFSA-N	246.394	4.523	0	10	BJAE	
Cc1cc(O)c(C)c(-c2ccc(C3CC3)cc2)c1	2028597951	MFJBGORXJCLPGN-UHFFFAOYSA-N	238.330	4.553	0	10	BJAE	
CN[C@H](c1cccc(C)c1C)[C@@H](C)CCC(C)C	2029821174	RLXRWLKJLGAGPL-YOEHRIQHSA-N	247.426	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC[C@@H]1CCc2ccccc2N1	2032652772	FSNXOESZLJSZJS-IIAWOOMASA-N	243.394	4.630	0	10	BJAE	
CC1(C)C2CCC1(C(=O)CC1CCCCC1)CC2	2033434574	HALKEVJIUIAYGQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C1CCCC(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)CCC1	2034143687	GMDZDHWABDBFHB-SCAQPMJSSA-N	249.442	4.658	0	10	BJAE	
CC1(CC2(N)C[C@@H]3CCCC[C@H]3C2)CCCCC1	2034148093	ALKFGQNHBGLDIS-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H]1[C@@H]2CCCCCCCC[C@H]2C12CCCC2	2035890250	GTHKYEJIYBYNBM-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@H]1NC1CC2(CCCC2)C1	2036539447	SHUCEDRMYFQOFC-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1CC[C@H]2C[C@@H]2C1	2037130670	PKZFEDBZXWXNPG-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC1(CCC[C@@]2(N)CCC3(CCCCC3)C2)CC1	2037176963	YELSXPRHLUYQNJ-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@]1(N)CCCC12CCCC2	2037179911	VEDFDZWHYOBEEV-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCC(=C[C@@H]1CC12CCCCC2)CNCC(C)C	2039078418	HTZRGPBIUOXZSE-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc2nc([C@H]3CCC[C@@H](C)CC3)[nH]c12	2039377138	QALXDEVKPXLDPF-YPMHNXCESA-N	242.366	4.555	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NC[C@@]2(C)CC=CCC2)C1	2042072510	QGDQAYWXQNNDND-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)CCC2CCC2)cc1	2042747984	TVBNZOXFVGZWJZ-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CCN[C@H](CCC(C)(C)C1CC1)[C@H]1C=CCCC1	2043194730	OTAGBQIIPJYMPH-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC1CC([C@H](C)Nc2ccc(C3CCC3)cc2)C1	2043546990	MHBNXERPRJPSCP-UYJPIKCFSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCC3(CCC3)C2)CC1	2043610540	YMYZTAIVUPISQT-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
N[C@]1(C[C@H]2CCC=CCCC2)CCC2(CCC2)C1	2045303997	ACFBXYVYTOVBIR-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@H]2C=CCCCC2)C1	2045556236	UXVHBRXSWLVOFI-CWRNSKLLSA-N	246.394	4.684	0	10	BJAE	
C=CC=CCC[C@H](NCC)C1(C)CCCCCC1	2045797878	VZYLPKLHLJHOBO-INIZCTEOSA-N	249.442	4.847	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@H]2[C@H]3CCC[C@H]32)cc1	2048457112	GJCBVCOTQOGHEU-VDNDLQMASA-N	243.394	4.658	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C1[C@@H]2CCCCC[C@@H]12	2049203085	LQJVXLLIHUMCKK-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC(C)(C)C1CC1)[C@]1(C)C=CCCC1	2050000864	RXIHSVHBMOGYQN-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCCN(C)C1CCC(CC)(CC)CC1	2051643126	NQSVXYBHWHJDFL-UHFFFAOYSA-N	249.442	4.800	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCC[C@H]3CC[C@@H]32)CC1	2052279697	KWXHOCAAEABIRP-VPABYTGTSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@]1(N)CCCCC12CC2)C1CCCCC1	2053315098	KORWGJJBGWFMJL-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@@H]2CCC[C@H]3C[C@@H]23)C1	2057356456	DHQJGGVDDHFOOR-MDLJMBGESA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C2CC(C3CC3)C2)CC1	2057833044	UXDCASWECNLOFN-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C1CCC2(CC1)CC2	2059172995	PTWYFHPWKKTMTI-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](NCC)C1CC2(CCCC2)C1	2059267154	MDBNFHDFZBWSDZ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@H](NC)C2(C)CCCCC2)CC1	2061082725	XJQGDPPZLWZKBD-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@@H](N)C2=CC[C@@H](C(C)C)CC2)CC1	2061087737	HTQRAFPOKNZPQC-CLKYRPBMSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)C1=CCC(C)(C)CC1	2061112887	JXKLKRFSUJMAPM-GUYCJALGSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@]2(N)CCCCC2(C)C)CC1	2061113146	MCNOQBMMCCHNCY-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@H](CC2(C)CCCC2)NC)CC1	2061141221	UCNASDVUWXVTFO-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@@H]1C[C@@H]2CCC[C@@H]2C1)c1cccc(N)c1	2063491554	SEEICHYCEIWEFY-LUYZLQTOSA-N	243.394	4.589	0	10	BJAE	
CCN[C@@H]1C[C@H](C[C@H]2C=CCCC2)CC(C)(C)C1	2063644058	YFPCBWOKHAQPMV-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CC23CCC(CC2)C3)CC1	2065313922	YKABBNXJBMCWER-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CCC(C)C)c1ccc(C(C)C)cc1	2065993214	QKTSMCNRNJFWAE-KRWDZBQOSA-N	247.426	4.810	0	10	BJAE	
CC(=CCCCCC1CC1)c1ccc(CN)cc1	2067345642	WTFSWYFZSOSMMZ-UHFFFAOYSA-N	243.394	4.519	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@](C)(N)C2(C)CCCC2)CC1	2067507027	YDOIGDAEFMHJLP-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](O)c1ccc2ccccc2c1	2068841344	FZEJUQGPDLHQBP-SUMWQHHRSA-N	242.362	4.555	0	10	BJAE	
CC[C@H](N[C@H](C)CCC=C(C)C)c1ccccc1	2070413070	IHSLFRBNFRNBRU-WBVHZDCISA-N	245.410	4.862	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(N)C2CC3(CC3)C2)CC1	2072807008	RBHMOTIXKQCVQK-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1C[C@H]2C=C[C@H]1CC2	2073348228	WISWULOGDLDEAY-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@]12CCCC[C@@H]1C2)C1CCCCCCC1	2074092508	XWKDXHWAFRZOBX-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CCCC1(C[C@@](N)(CCC)c2ccccc2)CC1	2074637087	RMEOHDFPQRYSIU-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
C[C@@H]1CC[C@@H](N2CCCC23CCCCC3)C[C@H]1C	2074800402	VLEDEWFHZIIKSI-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CN(CCC1CCCCC1)[C@@H]1CCC12CCCC2	2074887144	AJSILTNUFSXTIU-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H]2C[C@H]2C2CC2)CC1	2079296588	RUUOWWABRAAAMW-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1C[C@H]1C1CCC1	2079388160	CNVARDMYZMXEFP-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCCCC1)[C@H]1C[C@@H]1C1CCCCC1	2079491242	HYAZNMAQOPLZHE-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC1CCCC1)C[C@@H]1C[C@@H]1C1CCCCC1	2079631410	BDFRDWRFOAZHBR-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@@H]1C[C@H]1C=CCCC1	2082221754	QQDNUFPDJONNIP-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H](CCC2(F)CCC2)c2ccccc2N1	2084767379	OPHNNRMUVXBXBF-CHWSQXEVSA-N	247.357	4.647	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](NC2CC3(CCCCC3)C2)C1	2085244272	IGLHKCTYUCOMAC-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)[C@H](O)CCCCCCC1CC1	2210526976	LTXRIEKCAGHQPR-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
Fc1cc(Cl)cc2cc(C3CC4(CC4)C3)[nH]c12	2214769940	UWMBMYRRFSWVBI-UHFFFAOYSA-N	249.716	4.618	0	10	BJAE	
CCCC[C@](N)(CC)CC1(C)CC2(CCC2)C1	2215398701	ORVODSGBPMMSEP-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](O)CCC(C)=C(C)C)CC1	2215813641	OMHDFOVFIISJEX-JKSUJKDBSA-N	236.399	4.620	0	10	BJAE	
CC=CCCC[C@@H](CCCC(C)(F)F)NCC	2216273424	XBFQENOVSUYUAQ-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
Cc1cc(Cl)cc(O[C@@H](C)c2ccccc2)c1	2217056034	YHFRLLMVMLDPPL-LBPRGKRZSA-N	246.737	4.788	0	10	BJAE	
CCC(CC)C[C@@](C)(CNC1CCC1)C(C)C	2217156755	NKSSNAVXCXUMAK-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(OC[C@@H]2C[C@H]3CCC[C@H](C3)C2)cc1	2218334957	TVSUDQIPPMZLJS-ZSHCYNCHSA-N	244.378	4.590	0	10	BJAE	
CCC[C@@H]1CNCCC1=CCCCCCC1CC1	2218726073	PEKSIYXOAKYHAA-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C[C@@H](C[C@@H](O)CCCCC1CC1)c1ccccc1	2220026949	DGEVDUCMPXLFEZ-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
Cc1cc(C)c([C@H](N)CCCCC2CC2)c(C)c1	2220044713	JTQQJURFDQWDMW-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@H]1C(C)=CCC[C@@H]1C	2220048967	YHBGICZDQADXJT-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC2(C)CC3(CCC3)C2)CC1	2220937279	XAKHKSAAWXDTIB-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CC2(C)CC3(CCC3)C2)C1	2221082591	BLGOSCISGSNWOP-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)n1C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222955551	USXBQHBBAVTRFS-IKGGRYGDSA-N	245.410	4.711	0	10	BJAE	
CCCN[C@H](C)c1cc(F)ccc1C1CCCC1	2223275510	KDDDHWHQBFCLSH-GFCCVEGCSA-N	249.373	4.544	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@@H](C)c1ccc(C)cc1	2223963270	GIYVLGPQJJSAAF-HOCLYGCPSA-N	247.426	4.513	0	10	BJAE	
Fc1cccc(CCC2=CCCCC2)c1Cl	2243238405	RWKJOAYRFISVCR-UHFFFAOYSA-N	238.733	4.912	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC1(C)CC(C)C1	2246583461	GAVXKADCUCKSQI-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CN(C)CCCCC[C@H]1C[C@@H]1C	2248849211	BRFOXNHQBVNSPW-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCC(F)(F)CC)NCC	2250373930	WFNZXEZRZUPHJJ-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC[C@](C)(CC[C@H](C)CCCC(C)C)CNC	2250493096	YSQRJUBJUKPXHW-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)CC1CC(CC(C)(C)C)C1	2251535149	LQPBBYSILADPNZ-URGYJCLVSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251707150	KXZDWLAVMVEIIE-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@H]1CCCCC12CC2	2253818444	RXFXCCYSOSETJQ-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2253910986	NSXJPNWBLDGTKM-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C[C@H]1CCC12CCC2	2255021953	BRIVEXPFAOXUIG-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@H](NCCCCC[C@@H]2C[C@@H]2C)CCC1	2257340116	MBMFYSJDJMZPCI-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@]12CCCC[C@@H]1CC2	2260630206	VZDXMAOQZPTLQM-IKGGRYGDSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@]12CCCC[C@@H]1CC2	2260655597	DBEMBEAQSMKYQM-OIISXLGYSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC1CC(C[C@H](N)[C@@H]2CC=CCC2)C1	2261263775	JVVYUEILLIFVCK-FJBKBRRZSA-N	249.442	4.523	0	10	BJAE	
CC(C)CC[C@](O)(c1ccccc1)C1CCCC1	2263752045	ZJAZRTWDZMDJGH-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)[C@@H](C)CC1CC1	2298915856	ORSVYECNBDMBCV-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CC2CCCCCC2)CC1	2301138667	YMGRZTUHSTZJCJ-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCNCC1(CC2CCCCCC2)CCC1	2301244893	QJCVAXLCIXHKIK-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H]1CCc2sc(-c3ccccc3C)nc21	2301281846	UXZAYOHTYHRRJH-LLVKDONJSA-N	243.375	4.558	0	10	BJAE	
CCC1CCC(C[C@](C)(N)[C@H](C)C(C)C)CC1	2301936396	VROUMBKLDFGIDE-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CCCN(C1CCCCC1)[C@H](C)[C@H](C)C(C)C	2301967791	MIIIZRSCZDCELX-HUUCEWRRSA-N	239.447	4.712	0	10	BJAE	
CCCCCCc1ccc([C@@H]2CC2(F)F)cc1	2302229577	WSBOIVNVXLKBLS-AWEZNQCLSA-N	238.321	4.932	0	10	BJAE	
O[C@H]1CCCC[C@@H](CCCC2=CCCCC2)C1	2302342794	MVUMBSOVOCBEBC-HOTGVXAUSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1CCCC1=CCCCC1	2302344918	LSTNWPORHFNGOD-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=CC1(N)CCCC1	2302642337	XZEIULHAMVZGPT-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H]1CCC(C)(C)C1	2302676263	SXEYHFKFGKKUAH-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCCNC[C@H](CCC)C[C@@H]1CCC(C)(C)C1	2302711426	YWSXIBSPLLOZOX-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2(C(C)C)CC2)CC1	2303597762	ULJXIXDVIYOROP-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCCC(F)(F)C1	2307751452	GXXRZVVSOGHLNC-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	2307764127	UDMUNWDUEQBMFT-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1ccc(C)c(C)c1	2307903166	NXXDAAIKTBQTSG-GDBMZVCRSA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC[C@H](NCC)[C@@H]1C	2307906270	CYWWEOSBZMUSTM-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309184919	NZQPLFJBTDBMJN-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C[C@@H]2CC[C@H]1C2)C1CCCCC1	2312909973	RUQSNRCNMMDRCK-VDERGJSUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)[C@@]12CCCC[C@@H]1CC2	2313290818	KEYYWANNIWRCIU-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](C)C1NC1CCC2(CCCCC2)CC1	2316586173	OIJHFNCEBYWVJG-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1NC[C@H]1C[C@H]2CCC[C@H]1CC2	2317004770	QKXGGHCHCLMUTD-HRCADAONSA-N	243.394	4.623	0	10	BJAE	
CC1(CCC(=O)C[C@@H]2C[C@H]3C=C[C@H]2CCC3)CC1	2317207332	SGEHQJMTAWCTMV-KFWWJZLASA-N	246.394	4.518	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CCC2(CNC2)C1	2317557319	ZKESVRMXPDJLPB-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CCC[C@H](Nc1cc(F)ccc1C(C)C)C1CC1	2317917689	LSYJMDMOYIFPFX-HNNXBMFYSA-N	249.373	4.940	0	10	BJAE	
CC1CC(C)(CNc2cc(F)ccc2C(C)C)C1	2317929864	PFPXSYOJKJCOBT-UHFFFAOYSA-N	249.373	4.797	0	10	BJAE	
C[C@H]1[C@@H](C2(N)CC3(CCCCCC3)C2)CC1(C)C	2318280475	RTVZQMKBSZTMQF-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@H]1NCCCC1=CCCCC1	2318531410	KPKVWKXREQAISN-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C)C1(CCCC2=CCCCC2)CC1	2318540837	ROFCCAZHXVYDLG-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CCC12CCCC2	2318547708	FIEXIXBHRXLIEG-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@H]1C[C@@H]1C1CCCC1	2318943081	CQZLPCQKFOYBSB-VWNJHIHFSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCC(C)(C)C2)ccc1F	2319287320	UYGGCBCLFQGVEF-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2C[C@H]2CC(C)C)CC1	2320406070	JXTCZBOASOEOBP-ARFHVFGLSA-N	248.410	4.764	0	10	BJAE	
CC(C)CC[C@](C)(N)Cc1cccc(C(C)C)c1	2320659980	KSKUUYDYJCPXGW-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1cc(C)ccc1C(C)C	2327675609	NVELBNFDBGOCMY-WMLDXEAASA-N	247.426	4.800	0	10	BJAE	
CCC1CC([C@@H](O)c2cc(C)ccc2C(C)C)C1	2327794226	HAJQTUQEPGPZAN-MQBCKMQZSA-N	246.394	4.588	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC[C@@H]3C[C@H]23)c1F	2327807689	JZKNSUOGWUWBPY-XBFCOCLRSA-N	247.357	4.550	0	10	BJAE	
Cc1c(Cl)ccc2cc(-c3cccs3)[nH]c12	1517711	QUMSWUMFKZZTOO-UHFFFAOYSA-N	247.750	4.858	0	10	BJAE	
CCC(CC)Nc1cc(Cl)cc(Cl)c1	21012447	ZWXZTDGFIQMCRO-UHFFFAOYSA-N	232.154	4.594	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCC[C@H](C)C1	21819575	WBADSQGZHNFAAF-CMPLNLGQSA-N	237.774	4.639	0	10	BJAE	
CC(=O)c1ccc(-c2cc(Cl)ccc2C)cc1	33427728	ZILLWBVBAFNQAV-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)(C)C)cc1)[C@H](C)CC	35548318	SDKKOTKVNQANPO-CZUORRHYSA-N	247.426	4.681	0	10	BJAE	
CCCCC[C@H](C)N[C@H](c1ccccc1)C1CC1	37075036	GJUJCADKUHJZQC-WMLDXEAASA-N	245.410	4.696	0	10	BJAE	
Cc1cccc([C@H](C)Nc2ccc(C)cc2F)c1	37244007	GNQUUBFBBSOVRS-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2ccsc2)cc1C	50338025	RSLRERUGPCKYSW-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
CC[C@H](NC(C)(C)CC(C)(C)C)c1ccco1	54105509	NRPQUUCAAFIBSJ-LBPRGKRZSA-N	237.387	4.535	0	10	BJAE	
CCCCC[C@]1(N)CCC[C@@H](C(C)C)CC1	83437518	JAWUGLIXVPUGLE-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
C=COc1ccc(-c2ccccc2)cc1Cl	85503241	KCHAVEUZAGSRLB-UHFFFAOYSA-N	230.694	4.529	0	10	BJAE	
Cc1ccc2nc(C3CCCCCCC3)[nH]c2c1	86580445	XBTFAJZDNIZJQG-UHFFFAOYSA-N	242.366	4.699	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cc(C)ccc2N)cc1	109774244	URUPKVMRRYNFRW-CYBMUJFWSA-N	239.362	4.758	0	10	BJAE	
CCCCC[C@@H](CCc1ccccc1)NCCC	111726709	DDIAGWOLSVIQJA-KRWDZBQOSA-N	247.426	4.568	0	10	BJAE	
CNC/C(=C/[C@@H]1CCC[C@H](C)C1)C1CCCCC1	125528287	SKUQORXFEMYKHN-DYVGXENMSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C(CC)CC	126136091	AWQUPEVMOLFFJO-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCCC)[C@@H](C)CC	132834364	BTCBECMCUKODQQ-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CCC(=O)CCC1CCCCC1	168120937	VKDCEUHLORKMDB-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CC1CCCCC1	203313705	WBKDEGDMMITUOB-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC)CCCC1CCCCC1	203528344	JMWRSDCRUQWYME-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCC(CCC)c1nc2c([nH]1)CCC[C@@H]2C	212910713	HBTGAQOBTQHJMX-NSHDSACASA-N	234.387	4.533	0	10	BJAE	
CCC(CC)CC(=O)c1cccc(Cl)c1C	220288349	KNZQFUFDLKJVMA-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCCCCC[C@H](O)[C@H](CC)CCCC	221155276	ICHLHZRNDDUVPP-KGLIPLIRSA-N	214.393	4.534	0	10	BJAE	
CC[C@H](C(C)C)[C@@H]1CNc2ccc(Cl)cc21	233990836	RRALHXNVVRVKSP-YPMHNXCESA-N	237.774	4.531	0	10	BJAE	
CSc1cccc(N[C@H]2CC(C)(C)C[C@H]2C)c1	235100795	METWGQCPQOAHFR-RISCZKNCSA-N	249.423	4.645	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1ccc(Cl)cc1	300877575	OBTMRMXCGLFIMK-CYBMUJFWSA-N	239.790	4.556	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)c1cc(C)cc(C)c1	302412011	PYXCXHVCCXAAHO-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
NC/C(=C/C1CCCCCCC1)C1CCCCC1	305901525	BSSOHHMVZYYUAE-LGMDPLHJSA-N	249.442	4.812	0	10	BJAE	
CCc1csc2ccc(SC)c(Cl)c12	307503075	WQWZKSIAFNKHPY-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](NC)c1cc(C)cc(C)c1	308077254	WQWHWSDPEOPPCA-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CC[C@H](CC(C)C)c1nc2c([nH]1)CC[C@@H](C)[C@H]2C	308089802	OVUPLBGJLZLYRO-JHJVBQTASA-N	248.414	4.635	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)[C@@H](C)CC(C)C	308118177	YHQRQSOUPWXYRZ-KBPBESRZSA-N	226.404	4.700	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1ccsc1Cl	308364101	KZIXOMJHEDJXAZ-GXSJLCMTSA-N	246.803	4.507	0	10	BJAE	
C[C@H]1c2ccccc2-c2nc(C(C)(C)C)sc21	310372317	XSFNIJUCXQPNCA-VIFPVBQESA-N	243.375	4.573	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@@H](C)C(C)C)cc1	310462844	FSTBOSDHVJOFLC-ZIAGYGMSSA-N	233.399	4.904	0	10	BJAE	
CC[C@H](NCC(C)(C)C(C)C)c1cccc(C)c1	310634983	PVALZZONQFZTHU-INIZCTEOSA-N	247.426	4.718	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC23CCCCC3)c1	313116143	OUISHEHKIHYTEY-MRXNPFEDSA-N	243.394	4.910	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(O)CC(C)(C)CC(C)(C)C1	318940054	YWEXJXQRBLBQMM-OLZOCXBDSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](NC)c1csc(Cl)c1	378994562	KHOSWCLERRQOOV-NSHDSACASA-N	245.819	4.632	0	10	BJAE	
CCc1ccccc1[C@H](N)C[C@H](C)CC(C)(C)C	381365288	OXFLVEJGHASCRR-XJKSGUPXSA-N	247.426	4.711	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@@H]1CCCC1(C)C	383246153	VUOKDENSHXRBQO-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC1CCC(C[C@@H](O)CC2CCCCC2)CC1	383573818	KNEQCQOIBPHNDW-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCCCC1(C)C)c1ccccc1	384340808	XLFWLJATTNKVID-YOEHRIQHSA-N	246.394	4.512	0	10	BJAE	
CCCc1ccccc1[C@@H](N)CC1=CCCCC1	384603716	GGIZMFZFDQUERV-KRWDZBQOSA-N	243.394	4.529	0	10	BJAE	
C[C@H]1CCC[C@@H]1c1nc(-c2ccccc2)cs1	385093880	YLJJJGSRSNBRFD-AAEUAGOBSA-N	243.375	4.714	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@H]1CCCC1(C)C	385872567	JNGZYSOVMWZZPE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@](O)(CCC1CCCCC1)C(C)(C)C	395403057	DYSYROUIBLNBKB-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C1(C)CCCCC1	398638179	UXWOBFRUVPYBJI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)[C@@H](C)C(C)(C)C)c1C	399219651	YCBDHDBXXNKGAA-ZBFHGGJFSA-N	247.426	4.602	0	10	BJAE	
CCN[C@H](CCCC1CCC1)CC1CCCC1	688392203	ANOZQJDLHRCAKE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(N[C@H](C)C(C)(C)C)cc1Cl	695656216	PEQMDBYWKCKRTB-SNVBAGLBSA-N	239.790	4.749	0	10	BJAE	
CCC(C)(C)CC[C@@H](CNC)c1ccc(C)cc1	696684645	ACLFTYBJTQCRKS-INIZCTEOSA-N	247.426	4.514	0	10	BJAE	
CCCN[C@@H](CC)[C@H](C)CCC(C)(C)CC	696799918	OZGJFZQHAXEUOR-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCc1ccccc1OCC1(CC)CCC1	699488349	CVFRJWSYTWOXHA-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cccc2ccccc12	701069302	MKTRSAFVHSNPNY-MRXNPFEDSA-N	242.362	4.700	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cccc(C(F)F)c1	701235894	WTYNXBQBAHDLSO-SNVBAGLBSA-N	240.293	4.633	0	10	BJAE	
CCC(C)(C)C(=O)C1CC(C)(C)CC(C)(C)C1	701333311	UDGHJQBKSRETJY-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)c1cccc(C(C)C)c1	701513626	ZHWVHQFIBDTTTM-WMLDXEAASA-N	248.410	4.916	0	10	BJAE	
CC1CCC([C@@]2(N)CCCC23CCCCC3)CC1	704433686	AREMGUQBLRDBEA-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CC1CCC(C[C@](C)(N)CCC(C)(C)C)CC1	704851773	FTCTYGUIQYHSIB-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@H](O)[C@H]1CCCC[C@@H]1C)CC(C)(C)C	704854130	LSHNLMPYZHGUTH-QPSCCSFWSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](NC[C@@H]1CCCC12CC2)C1CCCC1	706297832	ZLQUYANRNCPWTL-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@](C)(N)C2CCCCC2)C1	707540769	KOJAAJMHMOHXJO-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)(CC[C@@H](N)C12CCC(CC1)CC2)C1CC1	710117954	QASNZFCDDRWCPY-GNHJJJEISA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(O)C[C@@H](C)C(C)(C)C	710741332	BRYOUSCOVJGOHW-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C[C@H](N)c1ccsc1C)C(C)(C)C	711107382	TVYJBLIVIKARNZ-YPMHNXCESA-N	239.428	4.519	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@H](C)C(C)(C)C)CC1	711123399	BTYRUMXFTLAVAI-ZQDZILKHSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C[C@@H](O)CCC1CCCC1)C(C)(C)C	711182679	UGDMJBWJOIVUIA-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)CC[C@@H]2C)cc1	713012896	FJTJHLXEAMUALS-DZGCQCFKSA-N	231.383	4.622	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CCCCC12CCCC2	713128729	HMZIRDHQINXXGC-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC(C)(C)C(C)C)CC1	713145270	HPKAFCULOYNJLB-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC(C)(C)C)NCC	713216939	NQVTZPDWFYXNBM-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@](O)(CC(C)(C)C(C)C)[C@H]1CC1(C)C	713258033	LNODBOWUQICXKM-XJKSGUPXSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CCCCC[C@@H]1C(C)C	713263055	GVKIHIBEGZBLBV-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CC[C@@](CNC(C)C)(CC(C)(C)C)C1	713306677	KLGAVDOXRAPDGX-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CCNC1CCC(C(C)(C)CC)CC1	713498589	IJRFVKSZVIRNNU-FPLPWBNLSA-N	249.442	4.703	0	10	BJAE	
C/C=C/C[C@@H](CC)c1cc(Cl)ccc1OC	714547074	PTWMFEFKGLYBSY-DUMNWFOQSA-N	238.758	4.808	0	10	BJAE	
CCN[C@@H](CCCC(C)(F)F)CC(C)(C)CC	718668594	YZDFTIKAEAOAQA-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCC=CCCC1	718974938	HGBUMHMGEIDDOP-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCCCCC1(C)C	719263691	YVKPXQDPBNZXNF-CQSZACIVSA-N	249.373	4.905	0	10	BJAE	
CC(C)(C)NCC1(C[C@@H]2CC23CC3)CCCCC1	722891380	ZIPBEOQWVNTNDE-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1CC1(C)C)NCCC	723179069	PRLBBNQVPGKWRF-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1(CN2CCC[C@@H]2C2CCCCC2)CCCC1	1308607541	NJGSKDVVQCEUJP-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@H](CNC[C@H]2CCC=CCCC2)C1	1308975814	YUSWLKIBWSDNPD-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](NC[C@H]1CCC12CCC2)C1CCCCC1	1875437965	UJTRPAUQERSMOL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCCNc1c(C)cc(Cl)cc1Cl	1900247498	BYUQFYCRKROYRJ-UHFFFAOYSA-N	232.154	4.514	0	10	BJAE	
CC[C@@H](O)[C@H](C)CC=C(C)CCCC(C)C	1900837615	FBCNTUPGXISZGE-HUUCEWRRSA-N	226.404	4.556	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc(C2CCCCCC2)n1	1905261319	PPPDYAJNWVZVRA-PWSUYJOCSA-N	235.396	4.704	0	10	BJAE	
CCc1cscc1-c1nc([C@H]2C[C@@H]2C)cs1	1905272482	SLZLSYMATQQNPN-WPRPVWTQSA-N	249.404	4.557	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CC[C@@H](CC)C1	1905307077	QFSRSNCTOXCNLN-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)C[C@@H](C)CCC	1910140327	RFJCVOASSGERFM-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1COc1ccc(C(C)C)cc1	1910798476	GSZXMZTYEGOMSI-CABCVRRESA-N	232.367	4.625	0	10	BJAE	
CC(C)(C)C[C@@H]1CCCCCCCC[C@H]1O	1913392765	SIQIGZWDJBMHED-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@H]1C[C@@H]1C=CCCC1	1916016282	WKTTXJQERCXSMD-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCc1cccc(NC2C[C@H]3CCC[C@H](C2)C3)c1	1923465192	GMXCHJZQYVJURO-GJZGRUSLSA-N	243.394	4.630	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@@H](C)C2CCCC2)c1	1923881484	IDHOJITWWMZORK-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(CO)C1CCCC1	1923909978	WLDYHBTVFLHORO-GDBMZVCRSA-N	240.431	4.782	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)C(CC)CC	1925889205	JFCZWHFPQQSSHU-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)CC1(C)CC1	1925921479	HOBUYFZFULITRM-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1(C)CC(C)C1	1936669943	HSEVAPVRFRQADR-JVWICGRDSA-N	224.388	4.598	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(O)CCC(C)(C)C	1937166531	GISWCMSCCAMBGX-DZGCQCFKSA-N	228.420	4.636	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)CC1(C)CCCCC1	1940410721	SPQGBRPFQQBVCW-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC[C@@H]1CC1(C)C	1940855688	INYFMOCBEQPJSU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC[C@H]1CC1(C)C)CCC(C)(C)C	1940872993	PQCAKLDEPFYPJQ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1	1941873399	RGFIMKGBTGDUEA-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CC(C)(C)CC[C@H]1C	1942657658	OAXGAMDKDARLPT-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](C=C(C)C)C(C)(C)C1CCCCC1	1944631779	OEFGZIMMEYFQGH-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](NC)c1cccc2sccc12	1945958009	JAERZGQMYUDMMY-AWEZNQCLSA-N	247.407	4.742	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@H](C)CCC	1947589494	SILRPLMCSUCHTA-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)CCC(C)(C)C1CC1	1948321627	NELJDAWGDNLPAH-CJNGLKHVSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(N[C@H]2C[C@@H]3CC[C@@H]3C2)c(C)cc1Cl	1948824360	XMFLSCAYWFKRQT-CLLJXQQHSA-N	249.785	4.557	0	10	BJAE	
CC(C)(C)C[C@](C)(O)[C@@H]1CCC2(CCCC2)C1	1949432096	IBCXFGZNCQXUCH-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(C2CCCCCC2)CC1	1950930475	PGNGVRINRBWJHT-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1cc(C)c(Cl)s1	1960259973	YYFDOFMWKHGQHO-WPRPVWTQSA-N	245.819	4.536	0	10	BJAE	
CCCC[C@H](CC)NCc1ccccc1C1CC1	1963238129	NJCHZZRBAKETHJ-INIZCTEOSA-N	245.410	4.622	0	10	BJAE	
CCCc1ccc(COc2ccc(C)cc2)cc1	1968270718	NOGIENLZKTYCRQ-UHFFFAOYSA-N	240.346	4.527	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(CCF)cc2)C1	1970103224	XWMKZMLZMOTNHS-CZUORRHYSA-N	249.373	4.579	0	10	BJAE	
CC[C@H](N[C@H]1CCCC2(CCCCC2)C1)C1CC1	1971145942	XVZDLOVRCNPDFU-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCC2(CCC2)C1	1971388761	FVGRAZJSFDDIOO-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@@](CC)(CN)CCCC1CCC1	1978634985	GDLADDYUTHKZMY-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CCCCC[C@H](CC)NCc1sccc1C	1990097665	IQYQAEAYLIMEER-ZDUSSCGKSA-N	239.428	4.505	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC(C)(C)CC	1990762655	KRSMBUQIVVHPEE-AWEZNQCLSA-N	227.436	4.571	0	10	BJAE	
CN(CC1(C)CCCCC1)C1(C)CCCCC1	1995770558	VMXJXOHBXFWHDD-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
C[C@H](NC[C@H](C)C(C)(C)C)C1(C)CCCCC1	1995990018	DFVPLMBUCURUNB-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(=O)CC1CC(C(C)(C)C)C1)C(C)C	1998233890	AVFVUGKBFVZDFI-JXQTWKCFSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC1CC(C(C)(C)C)C1	1998259805	VWRMRHQTRWGYSM-PPWQZUPISA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@H]1C=CCCC1	1998384647	JJSFOTYYZUMMMS-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](N)([C@H]1CCCC(C)(C)C1)C(C)(C)C	2000058489	NWIAUUSSTKMVRM-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@]2(C)CC=CCC2)C1	2000094315	NIODNKUHYALCSS-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@@H](C)[C@@]1(O)CCCCC12CCCCC2	2001597924	YMDRMWCYLAOJDP-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@H]1CCCC(C)(C)C1	2002974159	MKKVGOPTGOJWSD-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@@]1([C@@H](C)CC)CCCC(C)(C)C1	2002993835	OCRSVFQRUYFHGO-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CN[C@H]1CCCCCC[C@H]1CC(C)(C)C(C)C	2003096712	ZNJBPCAMLLNHDR-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](CC2(O)CCCCCCCC2)C1	2003111994	QJKLAZSJKSLAOX-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@H]1CCC2(CC2)C1	2003217635	LKMJIJVWASAXJZ-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]1C[C@@H](CC=C(C)C)CCC1(C)C	2004228878	QIFZBKBDJROOLN-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(=O)C1(C)CCCCCCC1)C1CC1	2004937340	NNRFEZSVBFKTSS-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CC[C@@]1(CN)CCCCC12CCC2	2005603383	ZFYYLIATYXPPPQ-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H](C)CCC(C)(C)C)CCC1	2006916479	SLQSVZLTVXZZDY-HIFRSBDPSA-N	237.431	4.680	0	10	BJAE	
CCCCCCC(=O)C1(C)CCC2(CC2)CC1	2007684087	YNHLJBSRALBXGL-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1C[C@H]1CCC=CCCC1	2009245356	ZVVXPOZACFWAKI-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
CC=CCCCC(=O)[C@@]12CCCC[C@H]1CCC2	2009572363	MEQATSJVXMPKNN-GOEBONIOSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCCCC12CC2	2011287391	YAGXMORVFAHQOJ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CCC(C)(C)C1CC1	2016116992	JMFYYGGSAFAIIY-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CC[C@H]1C1CCC1	2017056580	CZJYXXPTLVPFGD-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)CC1(C(C)C)CCC1	2017111600	CSOCZOLFRNBWTE-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C(C)(C)C)C1(C(C)(C)C)CCC1	2017131694	TYRVFAQAZVFNHW-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C)CC(C)(C)C)CC1	2017649176	SSBLVEWZRFVFNA-SHTZXODSSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](C)[C@H](O)C[C@H]1CC[C@H](CCC)CC1	2017650181	DMEMOOYNUOUNRV-KLHDSHLOSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@H]1CC[C@H](C)CC1	2017735882	GPDQPXDANYKPSU-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CCCC1CCC(CC)CC1)NC	2017736867	MDPASQJSKSQUFE-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(C[C@@H](C)CCCNC)CC1	2017737311	KDIHNIWYVCIEGK-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)c1ccccc1	2018134796	RXPPVWRXOSSTLO-GDBMZVCRSA-N	233.399	4.696	0	10	BJAE	
C[C@H]1CCC[C@H](c2nc(C3(C)CC3)cs2)CC1	2018309322	FUPLXQZTVJYQCJ-RYUDHWBXSA-N	249.423	4.878	0	10	BJAE	
CCC1(C[C@H](N)C2(C)CCCCCCC2)CC1	2018994233	AKBBNMDKUHKCTB-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H](C)C1CCCC1	2019193045	VJORAEQGQOYLLA-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@H](CC[C@@H]1CC1(C)C)NCCC	2020973593	HCOYIZZIUBHXPC-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](O)C[C@H](C)CC(C)(C)C	2022467669	CRDBZQVAQGOCBJ-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC[C@H](N)CC1CCCCC1	2022500042	VUOZNHFBTIYFOO-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC(C)(C)C2(C)C)c1	2025017447	IYHBWJACJOPJMJ-CQSZACIVSA-N	231.383	4.540	0	10	BJAE	
c1sc(C2(C3CCC3)CC2)nc1C1CCCC1	2026597422	MCHHBRCMZHSTCA-UHFFFAOYSA-N	247.407	4.632	0	10	BJAE	
c1sc(C[C@@H]2CC23CC3)nc1C1CCCCC1	2026598505	RSEYKFASAORZLS-GFCCVEGCSA-N	247.407	4.533	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)[C@]12CCC[C@@H]1C2	2027313091	BVAVLGARYAPFBD-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@](C)(F)c2cccc(N)c2)C1	2027942312	VSBGCWWOXYPMBO-DVOMOZLQSA-N	249.373	4.670	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)CCC=Cc1ccccc1	2028233644	YODTXVSNSPCVQR-SJORKVTESA-N	246.394	4.523	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1c(C)c(C)cc(C)c1C	2028252698	QGBQPLXITYHULO-WBVHZDCISA-N	247.426	4.602	0	10	BJAE	
CCC(C)(CC)C(=O)c1cccc2c1CCCC2	2029692887	MYRJULBEDWALCJ-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CCc1ccc([C@H](NC)[C@H](C)CCC(C)C)cc1	2029838484	SMGPGSOLQGZSCS-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CCc1ccc(C(=O)C(C)(C)C2CCCC2)cc1	2032297569	UFPMYXNXBLTOAI-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CN[C@@H](c1ccc(C2CC2)cc1)C(C)(C)C(C)C	2032339243	NTDRNVJAGQDOEH-INIZCTEOSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCC1)[C@H]1CCCCC1(C)C	2035576962	UQRPYKKHULEWRX-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1	2036668249	UWJHTSVDEYLACT-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@](N)(C1=CCCCCC1)C2	2037101109	SBUACSHUVLPSHS-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CC[C@](N)(C[C@@H](C)CC(C)C)c1cccc(C)c1	2037107061	USHIRVGLFSSVIX-RDJZCZTQSA-N	247.426	4.631	0	10	BJAE	
C[C@H]1C[C@@H](C[C@H]2CC[C@@H](C)C2)c2ccccc2N1	2037699170	QUHBATBFFDFIIW-QPSCCSFWSA-N	243.394	4.801	0	10	BJAE	
CC1(CCNCC2CC3(CCC3)C2)CCCCC1	2038080002	BMYGAOODSOJKOJ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H](CC12CCC(CC1)C2)C1CCCCC1	2039418827	YTWANSSXUDVCJY-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](CN[C@H]2CCCC3(CCCC3)C2)C1	2040135639	USGKFNSFTOCNFB-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CC[C@@H](C)C2)CC=CCC1	2040170830	AAIUQDLTXOVJHS-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
C1=C[C@@H](N[C@@H]2CCCC3(CCCCC3)C2)CCC1	2040767251	OZLVRVMFBYENAH-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)c2ccccc2C)CC1	2041382713	IYSFNVOBSXHPMT-HLLBOEOZSA-N	246.394	4.635	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC[C@@H]3CCCC[C@H]32)C1	2045515857	FXIZCWPXMPRDRE-HRCADAONSA-N	249.442	4.610	0	10	BJAE	
CN[C@H](CCC=C(C)C)C[C@@H](C)c1ccccc1	2045740315	GYBXSVRQXWLVHL-NVXWUHKLSA-N	245.410	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CC(C)=C[C@@H](C)C1	2045765309	ZPSHALGQGFHFHR-HYVNUMGLSA-N	249.442	4.703	0	10	BJAE	
CC(C)=C(C)CCN(CC(C)C)c1ccccc1	2046578137	YRHAGRKXZBVPCI-UHFFFAOYSA-N	245.410	4.895	0	10	BJAE	
C[C@@H]1C[C@@H]1CN(C1CCCCC1)C1CCCCC1	2046580484	CLJPUPBFGUSLTQ-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2048443844	ULZDKFRPAPGOTK-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(C(=O)CC2[C@@H]3CCCCC[C@@H]23)C1	2048470768	WFCMBRKRTSHXMN-YXXKGXSTSA-N	248.410	4.598	0	10	BJAE	
NCC1(CC2[C@@H]3CCCCC[C@@H]23)CCCCCC1	2048489188	WHOFYDPNYHEVRL-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048491906	NUDCUOCMUGNETA-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CCC([C@H](C)N[C@@H]2C=CCCC2)CC1	2049417994	MRTLXWZRBPYOKG-ZGRYLRDCSA-N	249.442	4.536	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)[C@@H]1CCC[C@@H](C)C1	2049541204	UDFONBOHOJCDMK-MRVWCRGKSA-N	249.373	4.761	0	10	BJAE	
C1CCCCC(NCC2[C@@H]3CCCC[C@@H]23)CCC1	2049680087	BQEKTOFSCSCDKR-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)CC2CCC3(CC2)CC3)C1	2049851883	CLXAHZULCDWJNY-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@H]2CCCC3(CC3)C2)C1	2049938841	VKCFAJSQTFKEMC-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1CCCC1)CC1CCC2(CC1)CC2	2049940543	MWQDCUKTWHRHIE-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@@]1(C)C=CCCC1	2049996131	DWEMFYCLNOUNRW-IRXDYDNUSA-N	247.426	4.623	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1ccccc1C1CCC1	2051399223	GRRFLJZMKWCIHS-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCC1(CC)CCc2[nH]c3ccc(C)cc3c2C1	2051618856	XHFFNZJDNCUADZ-UHFFFAOYSA-N	241.378	4.771	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@@H]1CCCCC12CC2	2053347010	RQLCVFKGBCFVNG-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC(=O)[C@H]2CCCCC23CCC3)CCC1	2053358825	LTWUHLOWIANCFW-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CC(C)NCC1([C@H]2CCC[C@H]2C)CCC=CCC1	2055274540	GZVGFTFOBUNLDH-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1ccc(CF)cc1	2055668990	GSMCHAWWNDAVDB-HOCLYGCPSA-N	249.373	4.927	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)c1ccc(CC)o1	2059255584	IUDLIBDMDCZWBK-NFBGWVBBSA-N	249.398	4.629	0	10	BJAE	
CC[C@H]1CC=C(CC(=O)c2cccc(F)c2)CC1	2061195183	KUZRDZJMAISIBV-LBPRGKRZSA-N	246.325	4.535	0	10	BJAE	
CCC[C@](N)(CC[C@]12CCC[C@H]1C2)[C@@H]1CC1(C)C	2061619179	ZINXORGYTMCECH-FSDCSDTHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)CC[C@@]12CCC[C@H]1C2	2061624164	WXYFLEDWUHTTKX-USXIJHARSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC(C(=O)CC2CC(=C3CC3)C2)CC1	2061699392	MFEFSBIVQLTNEG-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCC(C)(CC)[C@@H](CC1CC(=C2CCC2)C1)NC	2061727673	AEGHZIBRXFIQEE-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(N[C@H]2CCCCCC23CC3)CC1	2062017529	PFGISECRDKSIOS-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@]1(CCC[C@@H]2C[C@@H]2C)CC=CCC1	2062646969	PZAGAMLCOUPFLZ-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](N)[C@H](CC23CCC(CC2)C3)CC1	2065337213	KTRBRWADTWAUTP-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CCC1(CN(C)C[C@@H]2CCC=CCCC2)CCC1	2069319613	SHYPHHJABUZJSZ-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@]23CCC[C@H]2C3)CC1	2070920393	CTLXIXCTMJJFMC-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@@H]2C2CC2)CCCC1	2071798970	PFZSUMAQTLMJLK-IAGOWNOFSA-N	249.442	4.658	0	10	BJAE	
CCCC1(CN2CC[C@@H](C)c3ccccc32)CC1	2074590550	LKJAVBKHZDRNQV-CQSZACIVSA-N	243.394	4.581	0	10	BJAE	
CCCC1(CC(=O)c2ccccc2C(C)C)CC1	2074590686	LTNUCDLHEAYOIW-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@@]12CCCC[C@H]1C2	2074641206	IGFBRFDKENLSDF-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C[C@H](Nc1ccccc1C1CC1)C1CC2(CC2)C1	2077263611	ZKZKZHPDDKDZTE-LBPRGKRZSA-N	241.378	4.555	0	10	BJAE	
C1CCC(NC[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079447038	NFQIKVYHORRVQA-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CC(N)(C[C@@H]2C[C@@H]2C2CCCC2)C1	2079831091	ICLKAVXDPMMYIB-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)[C@@H]1CCCC12CCC2	2079863203	JQAITJTWQKONJA-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2C[C@@H]2C2CCCC2)C1=O	2079866385	RIKNRZNGOQVSNH-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)C)C1=CC[C@H](C(C)C)CC1	2081784778	GVKUXBXQRYIJNM-DOTOQJQBSA-N	249.442	4.703	0	10	BJAE	
CCN[C@@H]1CCC[C@H]1CCCCCCC1CC1	2213575929	LAMFMSBXDWMAPB-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
FC1(F)CCC[C@H]1CCC=Cc1ccccc1	2213823390	RSXAGVMDGVXWOA-CQSZACIVSA-N	236.305	4.915	0	10	BJAE	
CCN[C@H](CCCCC1CC1)CCC1(C)CC1	2214569045	LYXRJAFAEIYTAJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1([C@@H](O)CC2(C)CC(C)(C)C2)CCC1	2215376510	CQFBYEMUVQUPKN-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CCC[C@H](C(C)(C)C)C1	2216255435	DCJNGBJFQFUACH-LSDHHAIUSA-N	233.399	4.882	0	10	BJAE	
CCCN[C@@H](CCCCCC(F)F)CC(C)C	2216444934	PNDVJABJBXABKE-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCCCC[C@@]1(CN[C@@H](C)CC)CC12CCC2	2217129698	LJNAFLFDOBWQSV-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
C[C@@]1([C@H](N)CCCCCCC2CC2)CC=CCC1	2218721534	SGJFFXYOODNLCD-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)CC=Cc1ccccc1	2219066169	LPHRBKUJTFJEOG-GOEBONIOSA-N	246.394	4.523	0	10	BJAE	
C(=Cc1ccccc1)C[C@H]1C[C@@H]1c1ccccc1	2219078342	MJWRBWFRGPUEES-ZWKOTPCHSA-N	234.342	4.894	0	10	BJAE	
Cc1cc(C)c(CC=Cc2ccccc2)cc1C	2219079012	UKBMFFCUEOWKMM-UHFFFAOYSA-N	236.358	4.868	0	10	BJAE	
CCCC[C@](C)(C/C=C/c1ccccc1)CNC	2219096272	UKISUGPPUROXKB-XLNAKTSKSA-N	245.410	4.506	0	10	BJAE	
C[C@@H]1C[C@@H](CCC2CC(F)C2)Nc2ccccc21	2220655168	YSLCEJUSHJBGMC-BLYZHGLHSA-N	247.357	4.503	0	10	BJAE	
CC[C@H]1C[C@@H]1CC[C@@H](N)c1ccccc1C(C)C	2220962575	RITRUWQIOYWPRH-GRDNDAEWSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2220964090	VHKJFVCRFFKPGR-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@@H]1CC=C(C)CC1	2221667644	MCVYLSGBRYDRCE-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@@H](NC)c2c(C)cccc2C)CCC1	2222005605	YHDUAHVEMSDPSL-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)c1c(C)cccc1C	2222010609	CTXXQWQIZHSXRC-WBVHZDCISA-N	248.410	4.799	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C[C@@H]2CC23CCC3)C1	2222272882	ZYLQBBULPSUBNW-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@H](CCC(C)C)c1ccccc1	2223591722	CWOBKPLLOJDFEE-WBVHZDCISA-N	247.426	4.595	0	10	BJAE	
FC(F)(F)c1cscc1CC1=CCCCC1	2243244648	BWVWSOCWCPZXQD-UHFFFAOYSA-N	246.297	4.810	0	10	BJAE	
CCC[C@H](C)C(=O)CCCCC[C@@H]1C[C@@H]1C	2243886628	WGJYCWLMAJEGTL-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)CN[C@H](C)c1sccc1C	2244794264	CGPMTRBSDIUHIE-OLZOCXBDSA-N	239.428	4.533	0	10	BJAE	
CC1CC(C)(C[C@H]2CCCCCCC[C@@H]2O)C1	2246443760	OADVEOCXMCWKNM-FYRZTWFESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](N)CCC[C@H]1CCCCC12CC2	2246628675	ZUOHKVFLXCLFTA-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCC1(C)CCC(O)(C[C@H]2CCC2(C)C)CC1	2247405105	AQJNTQVPQXYHQL-IUDNXUCKSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC1=CCCCC1	2247500981	ZEMYMFYIOBCUAH-HZPDHXFCSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H](C(=O)CC[C@H]1CCCC12CC2)C(C)C	2247645174	JHZWMXUCKUDMEE-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@]12CCCC[C@@H]1CC2	2251125028	KDQFCCAJALLKID-CZUORRHYSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC[C@@]2(C)C=CCCC2)C1	2253956036	BXMUGUPFAJUVFV-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCCC1([C@H](C[C@@H]2CCC23CCC3)NC)CCC1	2254836605	XHBZMYJHQQPOHL-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](C)C1CCCCC1	2256142190	PJFPKVWJIPRTRM-LBPRGKRZSA-N	249.373	4.769	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC1(N)C[C@H]2CC[C@@H](C2)C1	2257362119	PXTUVHLAWXSSAN-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccc2ccccc2c1	2259447323	MCOQNPFHYLVWIV-DYVFJYSZSA-N	241.378	4.666	0	10	BJAE	
CC1CC2(C1)CC(C[C@@]1(N)CCCCC[C@H]1C)C2	2259570270	AAYJIWPAQZKSMT-CQUJLFGMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@]23CCCC[C@H]2CC3)CC1	2260677397	FMDXOQAXUKBUTP-LTIDMASMSA-N	249.442	4.645	0	10	BJAE	
CC1CC(CC[C@@H](N)C[C@H]2CC23CCCCC3)C1	2261490209	JJMCFQBOLVMMTE-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]([C@H](C)CC1CC1)C(C)(C)CCC	2298858176	MNOCRBWFFGCCJL-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(C(=O)[C@@]2(C)CC=CCC2)s1	2300615510	LHYMCFLEOOUDAO-HNNXBMFYSA-N	248.391	4.630	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CCC(CC)CC)[C@H]1CC	2300687877	HJIZUGREKKQPNW-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC[C@H]1CNC(C)C	2300702846	ZNOVEXXOPOPFRC-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CCNC1CC(C)(C)CC(C)(C)C1	2300868099	UVWJPQSSEPABRT-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN(C)CC1CCCCCC1	2301148315	TXCBMRIYLTVFIU-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](O)CC2CCCC2)C1	2302683221	QRVYERCLRNURGW-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@H](CCC)C[C@H]1CCC(C)(C)C1	2302711425	YWSXIBSPLLOZOX-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)C[C@H]1CCC(C)(C)C1	2302895397	IITBFSQNLWLPMG-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CCC(=O)C[C@H]1CC[C@@H]1C1CC1	2303010438	CDEUGTOLDZLIOL-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@](C)(N)CCC(C)C)CC1	2303525878	WPRWPWQUIZWYMO-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H](C)CC(C)C)CC1	2303597028	MCDDDBUOTWWARS-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
C[C@H]([C@@H](O)CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304398320	CHXRXMKCBDQLAR-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C(=O)CC[C@H]1CCC(C)(C)C1)C(C)C	2304437088	VRQDVBPOGDQMBR-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)Oc1ccccc1CC1=CCCC1	2307642109	NHMYCROCIQBWAR-UHFFFAOYSA-N	230.351	4.517	0	10	BJAE	
C[C@H]1C[C@H]1c1csc(C2C[C@H]3CC[C@H](C2)C3)n1	2307702312	VOIILNKPMGNUGV-MRBYEJRBSA-N	247.407	4.560	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1CCCCC1(F)F	2307761534	SZKDDFSTWZIWJO-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](CC)Cn1ccc2c(C)cccc21	2307806847	SGPCPFAQEGZAQF-CQSZACIVSA-N	229.367	4.776	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)C1(CC(C)C)CC1	2307819591	NPSYFEUZCGJIIX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](C(C)C)CCC1=O	2307906286	DBHPRFKHHOQCHS-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CC1(CCCN[C@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2309183336	HPWRGUKAFDCYPG-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CC[C@@H]3CC[C@@H]32)CC1	2311022910	QQBZQDDIHXUHII-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312915382	KOAFLWCPUFKHMP-AFEQQHIUSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@](C)(O)CCC=C(C)C)ccc1C	2314636876	RNZCVIZUBRUFLQ-QGZVFWFLSA-N	246.394	4.511	0	10	BJAE	
Cc1cc(C)c2c(c1)N[C@](C)(CCCC(C)C)O2	2315919312	WELMLQRQKITVPM-INIZCTEOSA-N	247.382	4.650	0	10	BJAE	
CCC(C)=CCNC[C@@H]1C[C@@H]2CCCCCC[C@H]21	2316488594	BYTUSMJJWSYRDL-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@@H]2CC[C@H]21)CCCC(C)C	2316500298	YJEBPAAEADHVDB-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2316503114	OHDVEQUJLVSLKV-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2316749095	HKIBFGMRSKRBSB-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCCCCC1)C(=O)c1ccccc1	2317009156	VZXIXBDRGXNDDB-CQSZACIVSA-N	244.378	4.866	0	10	BJAE	
CC(C)C[C@H]1CC[C@@H]1NCCCC1=CCCCC1	2318532405	XVQKKQOCAHXPDM-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(NCCCC2=CCCCC2)c1	2318550877	KRPPJIRWKJJOLJ-UHFFFAOYSA-N	243.394	4.942	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CC[C@H]3CCCC[C@@H]32)C1	2319326004	KROPDRZLMCBQHC-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1C(=O)CC1CC(=C2CC2)C1	2320151231	GOXFDBCPFCTTRX-CABCVRRESA-N	246.394	4.518	0	10	BJAE	
C[C@H](C[C@@H]1CC[C@H]1C(C)(C)C)c1cccc(N)c1	2320241750	WVEYCSFMCJQAJD-IVMMDQJWSA-N	245.410	4.835	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(O)C=CCCC2(C)C)CC1	2320326168	CRSAMCGZFFXUOF-WBVHZDCISA-N	248.410	4.620	0	10	BJAE	
CC(=C[C@@H]1CCC(C)=C(C)C1)C1CCC(N)CC1	2320329468	IBRQOTUSNKBMFW-KLAILNCOSA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@H](COc2cc(C)ccc2C)CC1	2320349334	YJAHTRXQNTXKQF-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1C	2320393837	JVSHGAKTBKSHFX-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@H](N)c1cccc(C2CCC2)c1	2320649920	HQYBXWKUYBIFCP-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](N)c1cc(C)ccc1C(C)C	2327673772	SXAKIDYABCIXHO-KEYYUXOJSA-N	245.410	4.554	0	10	BJAE	
CN[C@@H](c1cc(C)ccc1C(C)C)[C@@H](C)C(C)C	2327786517	KRGQGGCADZAGIF-WMLDXEAASA-N	247.426	4.671	0	10	BJAE	
CCCCCc1ccc(NC[C@@H](C)CC)cc1	19981452	WTPQFGAEOCECID-AWEZNQCLSA-N	233.399	4.877	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1	20558274	VADCFTVTIYEFOT-XIRDDKMYSA-N	245.410	4.868	0	10	BJAE	
CCCC1CCC(Nc2cc(F)ccc2C)CC1	21505244	FMLLWDRHBODQQR-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1ccc2ccccc2c1	54440254	JVULLGOMUMXECR-MRXNPFEDSA-N	242.362	4.700	0	10	BJAE	
CC(C)c1cc(Cl)c2ccc(Cl)cc2n1	77255166	JOPJDZIIGPJPBJ-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CC(C)c1ccc(CCC[C@@H](N)C(C)(C)C)cc1	80390629	CSJIOXRIDUPIGR-MRXNPFEDSA-N	247.426	4.506	0	10	BJAE	
CC(C)Nc1ccc(C2CCCCC2)cc1	82596883	SBPKHLUMZLKFIK-UHFFFAOYSA-N	217.356	4.555	0	10	BJAE	
C/C=C\COc1ccc(OCCCCCC)cc1	83328766	QGVZNASWGRZIQD-XQRVVYSFSA-N	248.366	4.601	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CC[C@@H](C)[C@@H](C)C1	84982539	LVIXLNMEQWOZHB-UGUYLWEFSA-N	239.447	4.616	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@@H](C)CC2)cc1	86879147	DVYGWEAXCQIRHQ-HIFRSBDPSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)CCNCCC	87950052	DRGQCTUBILJWCK-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H]1CC[C@@H](CC)C1	88018093	SAHGHQLMWAOYRX-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)c1ccc(C(C)C)cc1	92596539	PPRILGPNBYJOQG-RHSMWYFYSA-N	247.426	4.692	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CCCC[C@@H]1C(C)(C)C	92596580	YFLSXNFGTUTHIF-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CNCC(C)C)c1ccccc1C	93106172	GEBVIBSHVXPOCE-MRXNPFEDSA-N	247.426	4.514	0	10	BJAE	
CC[C@@H](CC[C@H](C)N)c1ccc(C(C)(C)C)cc1	107537846	HNNHKTNUJRIUJH-KBPBESRZSA-N	247.426	4.605	0	10	BJAE	
CCC1CCC(N[C@H](CC)C[C@H](C)CC)CC1	109928725	DFHWAAUGARLODX-YHNBSYBMSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1ccc(C(C)(C)C)cc1	110202936	XKJBZAZQQBYRRR-OAHLLOKOSA-N	247.426	4.681	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)C1CCCCCC1	124202124	CPQNQVFLAZSADY-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)C[C@]1(O)CCC[C@H](CC)CC1	129377613	FAISCQBXVHVXKN-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CC(C)c1cnc(C(C)(C)c2ccccc2)s1	132163742	WTDFXJNUJFUXLT-UHFFFAOYSA-N	245.391	4.592	0	10	BJAE	
CC(C)CC1(C(=O)C2CCCCC2)CCCC1	164027835	FLLYHTBJGWFWNB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CCCC(C)C)c1cscc1C	165953782	RXJWSARTFOJASP-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@@H](C(C)C)C1(CC(C)C)CCCC1	166584283	ZORFISMOQRISNX-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)c1ccccc1C	229441707	WZFRIMHVALTRSM-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCN[C@H](C=C(C)C)c1ccc(C(C)(C)C)cc1	229746943	HTRXFYXHTBDHPZ-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
C[C@H](Nc1cc(F)ccc1Cl)c1ccccc1	231813247	SQRBCSFUXSFNBY-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
Cc1cc(N)cc(-c2ccccc2C2CCC2)c1	232055363	KVCAGTIWVDNIBG-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)c2cc(C)oc2C)C1	251636070	FRAZFIREXUNUQW-BPLDGKMQSA-N	249.398	4.516	0	10	BJAE	
N#Cc1ccc2c(F)cccc2c1-c1ccccc1	260710457	VUXYQIUXYIEHQN-UHFFFAOYSA-N	247.272	4.518	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CCC[C@@H](CC(C)C)C1	300310001	QRBSRICCJUVARJ-VGWMRTNUSA-N	239.447	4.616	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@@H](C)CC2)cc1C	302362061	YHEGFWMVETVHIF-CZUORRHYSA-N	245.410	4.938	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNCCCC(C)(C)C)C1	305948713	UAXHYUSNTPZVCT-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCc1cccc([C@](C)(O)CCC(C)(C)C)c1	306048695	OVCBERYNMNKKSJ-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@@H](C)CC[C@H]2C)cc1C	306061785	XFKSRZMAHLJWLH-OGHNNQOOSA-N	245.410	4.794	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@@H]1CCC[C@@H](C)C1	308119091	ZUQHBOMTZVRWFW-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CCCc1ccccc1NCCC1CCCC1	310073232	PNVUTTXQRKQHIP-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCc1ccc(NCC2(C)CCCC2)cc1C	310141496	KIKNYYDUIJUVJX-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CC1CCC(C)(C)CC1	310292035	ZLARMBGWYHCJKN-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC(=O)C1(C)CCCC1)C1CCCCC1	310477220	KNUKKNCIBWCJPS-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC(C[C@H](O)C2(C)CCCC2)CC1	310556856	YSLLNMNBDHFYFL-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C(C)(C)C(C)(C)C	310586394	VXYJBBDRGBGWJH-UONOGXRCSA-N	241.463	4.993	0	10	BJAE	
Cc1ccc([C@@H](C)NCC(C)(C)C(C)(C)C)cc1	311089375	QOILDHXLVQVQBW-CQSZACIVSA-N	247.426	4.718	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)C1(CC)CC1	311119989	XINUGKPRMCYHDQ-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC[C@H]1CC[C@@](CNC2CC2)(CC2(C)CCC2)C1	318416228	MRMSWRMDERLINC-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CC)CCC[C@@H](CC)C1	318455254	QDSFTZCHDAMENX-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCC12CCCC2	327996171	MQHXZYIEVPLSHX-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC23CCCC3)cc1C	328200441	STKRFGCITBWLKL-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
CC(C)CCCCC[C@H]1CC(C)(C)CC[C@@H]1N	383170870	KYOXCQUCAQEEMF-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](N[C@H]1CC[C@H]1C)c1ccccc1	384941806	CKNHBKNPGQKMCC-PVAVHDDUSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H](NCCC1CCCC1)c1cccc(C)c1	385126980	HKDFJLUBOBURQY-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H]2CCCC23CCCC3)C1	385729957	KKCDUEARNASRIW-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@@H]1C[C@H]1CC	387718516	GRJXKWFAHXXKEG-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)C1CCCCC1	391184828	RVAINTYPTDLYAF-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2cc(C)cc(F)c2)CC1	392970150	USCJLJVHRCELQI-JOCQHMNTSA-N	248.341	4.533	0	10	BJAE	
CCc1cc(NC[C@@H]2CCCC[C@H]2C)ccc1C	394771402	AAUHYVPAFCYGEQ-CJNGLKHVSA-N	245.410	4.796	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CCCCCC(C)C)[C@@H]1C	394803105	GFAIUXVCGLRAST-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CSc1ccc(F)c2c(C(F)F)csc12	396245497	OFPHLYAJOYNMIJ-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H](C)C(C)(C)C	399087868	AJXWRZZHTZYVSN-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC(C)(CCC(=O)[C@H]1CC2CCC1CC2)C1CC1	405895918	UFTDKRYCUGJCGZ-PIMMBPRGSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CCC(C)(C)C1CC1	406053069	INANYSBKKJDWGS-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)CCC(C)(C)C1CC1	406114097	NYMUPSYBVWRTCX-HNNXBMFYSA-N	246.394	4.553	0	10	BJAE	
CCC[C@H](N[C@@H](C)C(C)(C)C)c1cccs1	686247211	CADYATZJLNAODT-RYUDHWBXSA-N	239.428	4.614	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccc(C2CCC2)cc1	690160803	JVZSEHNHRNTNHH-DYVFJYSZSA-N	243.394	4.945	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H](C)[C@@H](C)CC	690188688	HUXBEXBACLPKCQ-KBPBESRZSA-N	247.426	4.966	0	10	BJAE	
CC(C)CC(C)(C)CN[C@@H]1CCCCC[C@H]1C	691048425	RQWKSIGLWPFPJS-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@H]1NC1CCC2(CC1)CC2	695687461	DEMNBUXHMTZCLZ-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)CC(C)(C)CC	696195532	NNWWBVGUWJTMNL-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](O)(CCC(C)(C)CC)C(C)(C)C	696715255	ZKILVDSZPJLIRL-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CC)CCCCCN1	696767441	GMFZECJKAUXVOG-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@@H](CC(C)(C)C(C)(F)F)NC	700292534	VUQUOXWXQPOAEL-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H](c1cc(C)cs1)C(C)(C)CC	701145879	XNTOAHPZKOCFSU-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1C(C)(CC)CC	701147149	YSHHSDIHMAPLGI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	701150704	YPYIPGXLSJFGBG-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
C/C=C/[C@H](NCCC)c1cccc(C(C)(C)C)c1	704669104	YLCVJLOJHSRQAC-FSNWXROXSA-N	245.410	4.601	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)c1ccsc1	704852043	PRNBJHFCBRVZAJ-TZMCWYRMSA-N	239.428	4.529	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@]1(N)CCCC12CCCCC2	704859726	GXMPIHCBVVOBCD-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(CCCC(C)(C)C)c1ccsc1	704959460	MEHBXUAKLJTWNJ-AWEZNQCLSA-N	239.428	4.529	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)[C@@H](C)CC(C)(C)C	708304378	UOONRGPQNWLVHF-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1C[C@H](N[C@@H]2CC23CCCCC3)CC(C)(C)C1	708788112	LOZNBLRHOPXCKD-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@H](N[C@H]2CCC23CCCC3)CC(C)(C)C1	708788198	MPSMAPGPCQZEIA-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)[C@]23CCCC[C@@H]2C3)c1	709108228	FCXALNPXVGHGGZ-BFYDXBDKSA-N	243.394	4.684	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)CC[C@@H](C)C[C@@H]1C	709138376	AGWDBKVWVGDQTP-HOSILWTGSA-N	239.447	4.602	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@@H](C)C(C)C	709671075	GICAJXIVFZAGLO-CQSZACIVSA-N	247.426	4.824	0	10	BJAE	
Cc1cc(Cl)ccc1OC[C@H](C)C(C)(C)C	711117120	AVTPBXWHXDOPCQ-NSHDSACASA-N	240.774	4.709	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)c1ccc(C)s1	711319657	HJWHPZHWKOAMJF-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(O)C1CCCCCC1	713033090	UCXHWOXSBJGSEK-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCCCCC1(C)C	719262709	VRCUKGTYULFQMB-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCN[C@@H](C(C)C)[C@H](CC)CC1CCCCC1	720428556	YJSLWBPXKCWNHO-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@@H]1CC1(C)C)NCC	723178282	LQRSQBOHWNYVKX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C(=O)CC2CC(C)(C)C2)CC1	723531670	BYYSFNVXNDOTME-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(S[C@H](C)c2ccc(F)cc2)cc1	1656088675	CAXLVBNOXJVHGL-GFCCVEGCSA-N	246.350	4.987	0	10	BJAE	
CCC[C@@H](C)CCN[C@H]1C[C@H](C)CC(C)(C)C1	1656865606	NQUAJTSWPQKLML-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC1(C)CCCC1	1900596293	ISFMTKJGAMLBBL-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@H](O)C1(CC)CCCC1	1900703313	MZYRMVVNAOATQH-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1ccc(Cl)c(F)c1	1901626474	PPCAHTXDZWYIHL-UWVGGRQHSA-N	243.753	4.572	0	10	BJAE	
CCC[C@@H](CC)CC(C)(C)CN[C@H](C)CC	1905381291	IEVLNVTWIRXFMX-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H](CC)CC(C)C	1905453919	NOCPAQBAXMHYID-ZNMIVQPWSA-N	228.420	4.636	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@](C)(O)C1(C)CCCCC1	1908571728	LESDXAOJYIHSJQ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@@]1(CNCC(C)C)CCC[C@H]1C	1911885752	JXYZJXCKZFOWOZ-SJORKVTESA-N	249.442	4.561	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC(C)(C)C(C)C	1920192249	YSISVZFNTJXNIQ-HIFRSBDPSA-N	227.436	4.602	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)C(C)(C)CC	1925897613	ITINZMBQTHNSAJ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=CCCC=CCC(C)(C)C=N1	1933288830	BUAVBORLHRCLMY-HNNXBMFYSA-N	233.399	4.794	0	10	BJAE	
CC1(C)CCC2(CC1)CC(=CBr)C2	1934994240	IMKQXQLSXXTGJG-UHFFFAOYSA-N	243.188	4.646	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(N)CC1(C)CCCCC1	1940410613	UCZAPEKMTMXNOL-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@H](NCCCC1(C)CC1)C1CCCCCC1	1940874394	UPQKGHMNBTZJHU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC[C@](C)(F)c1cccc(N)c1	1940980785	FLPQHYFJHPZAOP-HNNXBMFYSA-N	237.362	4.670	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C(C)(C)C1CC1	1941139765	MATPKTBDTYRHIT-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@H](C)CCC(C)C	1942658237	HMRPGHSMXXMQEB-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CC1(C)C)C1CCCCC1	1944647599	XVWCURCBUGHMCD-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H]1Cn1ccc2cc(Cl)ccc21	1944799167	KAILBWPKJGEJLR-WCQYABFASA-N	247.769	4.731	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CCC[C@H]2C)CC1	1944799514	OLHQIONKVDRRLH-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(N)CCC1CCCCC1	1947461023	HYQJKNLYARKBTQ-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)c1ccc(CC[C@@H]2C=CCC2)cc1	1947551006	BFWYSOALTZYCTL-CQSZACIVSA-N	228.379	4.883	0	10	BJAE	
CC(C)(CCNC(C)(C)C)C[C@@H]1C=CCCC1	1947584351	FYAYLBJGAJTELA-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CCC2)c1ccsc1	1947881236	LZEPMEUPRSHUFZ-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1CC12CCCC2	1948103119	VVKKXAXJGZUDFL-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@]1(N)C[C@H](C)CCC1=C(C)C	1948971508	XYWCLXYBXJZREM-GDBMZVCRSA-N	237.431	4.811	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CC(C)(C)CC(F)F	1949014296	AYYULYMTPZCJHX-CQSZACIVSA-N	249.389	4.602	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)C1(C)CCCCCC1	1949141350	AYLOEUJEFWNOTB-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H]([C@@](C)(O)CC2CCCCC2)C1	1949421318	LTCVIHDNRIVSJT-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1=CCCCCC1)C(C)(C)C	1949827379	LPWQJPMKLIXYMP-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1CC2(CCC2)C1	1949839852	LAOCSQJYQGIAQT-AWEZNQCLSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)C[C@@H](CC1CCCCC1)NC	1949913951	CHRHPGBDZSIIMX-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCC2CCCC2)CC1	1950931337	WDXFBUDRPGSIHX-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCC(C)(C)C2)cc1C	1968255002	PUQFLVAGCGMXOU-CQSZACIVSA-N	231.383	4.542	0	10	BJAE	
CCC1(CC)CC(Nc2ccccc2Cl)C1	1968255991	GUYUUACETYYQOZ-UHFFFAOYSA-N	237.774	4.721	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@H](N[C@@H](C)c2ccoc2)C1	1970466489	DMZQBLIKXDLMMU-SQWLQELKSA-N	249.398	4.535	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)[C@H](C)CC	1978650495	ACKRCWRWOGSBRS-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CC1(CCC)CCC1	1988464808	TYRSDIDZMVXNCX-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1CCC(C)(C)C1	1990093558	MIMLPJMDSGBMGO-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)Nc1ccccc1C1CC1	1992087862	KKDFZHZCDZZSCE-GFCCVEGCSA-N	217.356	4.555	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)[C@@]2(C)CC=CCC2)c1	1997605116	VGOASJWCSRLHRH-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
CCCCC[C@@H](C)NC1CC(C)(C)C(C)(C)C1	1997806497	GBTHRMFKBOPHAP-CYBMUJFWSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1[C@@H](C)[C@H]1C)NCCC	1998556188	LSHKZAGCFPDCOM-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)[C@H](C)CCC(C)C	2000324592	UQYOOXHGEILJKC-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2001495085	REFCZZWALSZBHP-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CCCNCC1(CC2(C)CC2)CCCCCC1	2002514291	FLJYKLDWXPOVBM-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC(C)CC(=O)CC[C@@]1(C)CCCCC1(F)F	2002588821	NGQDIOGWWXSHLI-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H](C)CC(C)C)CC1	2002926170	ONEZEFWNNUEEFP-FXQLRMTLSA-N	239.447	4.616	0	10	BJAE	
CCC1CCC([C@](C)(O)CC2(C)CCC2)CC1	2002930880	ZKNCSOJLTHWNNM-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)CCCC(C)(C)C)C1	2003012860	CNYZPTJNWKFQRJ-SQWLQELKSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCCCCC1=O)C1CCC1	2003074611	KXJGGZCUONKWLS-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CC1CCC2(CC1)CC2)NC	2003220453	HUZQYSXRWPVWOJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@]1(C)CCCN(C[C@@H](C)C(C)(C)C)CC1	2004340137	XEEJXGZEPAHMQR-ZBFHGGJFSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1(C2CCC2)CC1	2004534586	KGQKEFJGMSBTMH-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@H](C1CC1)C(C)(C)C	2004717010	DLWJAGYNFQURGP-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)CC1CCCCC1	2005588212	CIMGZEAZSOYQTQ-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1CCC[C@H]1C1(O)CCCCCCCCC1	2006765497	LRSFKZIFWITESZ-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(CF)cc1	2007025135	JOAROALUJHBTFG-TZMCWYRMSA-N	237.362	4.783	0	10	BJAE	
CC[C@H](c1nc(-c2ccccc2)cs1)C(C)C	2012413381	SKYDSWSENKQIRM-ZDUSSCGKSA-N	245.391	4.960	0	10	BJAE	
c1ccn(C2CCC3(CCCCCC3)CC2)c1	2013224310	CNMUHKOYEMDUSN-UHFFFAOYSA-N	231.383	4.944	0	10	BJAE	
CC(C)C(CC[C@](C)(O)CC1CCC1)C(C)C	2015335782	MVXYAFNBUFCNRE-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)CC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	2015380776	WDCOHHDLXSNQKG-MGPQQGTHSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@H](NCC)C1(CC2CC2)CCC1	2015760517	LJVUVRUCCHTUFX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CC[C@@H]1CC(C)C	2016144105	IIJMHKPEBJKQPL-XHSDSOJGSA-N	237.431	4.536	0	10	BJAE	
CCN[C@H](CC(C)(C)C)CC1(C(C)C)CCC1	2017139945	BJXBGPCYXBARKQ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC[C@@H]1C[C@@H]1C)NC	2017237471	MKANPXPCWLQQTR-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)(C[C@H]1CC[C@H](C)CC1)C1CCC1	2017722018	NCSCVMTXLFPFTL-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C)CCC1CCC(CCC)CC1	2017729707	ZNZGASHSQQPBSN-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCCC[C@H]2C)CC1	2017731614	UCWNVFRLDQYPMC-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@H](C)CC[C@@H]1C	2018074533	JRVVTPXEPPDVOF-FXUDXRNXSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)C1CCC(C)(CC)CC1	2019383706	DNULOGFVTLMLGZ-QRNKSROTSA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@@H](C[C@H](CC)C(C)(C)C)NCC	2020970954	FIZWKIKJAVNAAK-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H]1CCCCCCC[C@H]1O	2022528829	LMOHFMQGVFIHEW-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC=C2CCC2)cc1	2023195501	QSKYVXXYFOOHAV-CYBMUJFWSA-N	230.351	4.689	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1CC[C@H](C)C1	2023318757	JBACRIZXRHZQNZ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C(C)(C)CCF)C1	2024091405	IFUCIXNANNPMPH-GFCCVEGCSA-N	242.378	4.548	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CCCC(C)(C)C1)C1CCC1	2024092678	UASHCNZNDMZRQY-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@@H]1CCCC(C)(C)C1	2024095425	RBVUNSKSEFBZNT-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
C/C=C/CCCc1cccc2c1CC(C)(C)C2	2024790774	YUIIBEDGHZRMQJ-SNAWJCMRSA-N	228.379	4.710	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@]1(C)CC1(F)F	2026075051	RMJIMHIKSKPJEZ-YPMHNXCESA-N	246.341	4.597	0	10	BJAE	
Cc1ccc(-c2nc(C3CCCC3)cs2)cc1	2026602302	FMZMSQDFBNVPBF-UHFFFAOYSA-N	243.375	4.776	0	10	BJAE	
Cc1ccc([C@H](O)CC2(C)CCCCC2)c(C)c1	2027312184	SPTNQMIZNYNIGD-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CC1(C[C@H](N)[C@H]2CC3CCC2CC3)CCCCC1	2027312910	AKDFURXFKCPJPD-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1)[C@H](CC)C(C)C	2028260680	FEBNNNUWNIBDPB-IAGOWNOFSA-N	247.426	4.636	0	10	BJAE	
CC(C)CCC[C@H](N)c1ccccc1CC(C)C	2028923770	UVHOATLTIOEPCS-KRWDZBQOSA-N	247.426	4.711	0	10	BJAE	
C[C@@H]1CC[C@@H](C2(N)CCC3(CCC3)CC2)C[C@H]1C	2032249293	BFSMQNHLZOBVQU-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@H]1CCC(C)(C)C1	2033400182	IOXRWHHNIATQBU-CZUORRHYSA-N	246.394	4.670	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CCCc1ccccc1	2037084515	SGHFVXCTLGYXIP-INIZCTEOSA-N	247.426	4.553	0	10	BJAE	
CC[C@@](N)(CCCC1(C)CC1)c1cccc(C)c1	2037177656	AKZBJWPDTDMGHE-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1[C@H]1CCCC[C@H]1C	2037227376	WFYKCKSKSQINEB-VWPFQQQWSA-N	243.394	4.658	0	10	BJAE	
NC1([C@@H]2CCC3(CCCC3)C2)CCCCCCC1	2037590982	BYKGPCRQBCEQKE-OAHLLOKOSA-N	249.442	4.789	0	10	BJAE	
CCN[C@H](CC[C@H]1CC[C@H](C)C1)c1ccccc1	2037700278	FOLMYGVQTBTTMP-ZMSDIMECSA-N	245.410	4.554	0	10	BJAE	
C[C@H](CC[C@H](O)CC1CCCC1)c1ccccc1	2038107202	DYGDNCKEQVDYOS-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@@H]1CCCCC[C@@H]1C	2039452567	KLIOOMVXNCDNJD-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CN(C[C@H]1C=CCCCC1)CC1(C)CCCCC1	2039860516	WELZPSJETHAINM-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2CC=CCC2)CC1	2041383333	MZDQIVFKGCXEKI-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC(C)(C)C1NC[C@@]1(C)CC=CCC1	2042073711	CUZKSAVPKGNJPU-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)CC(C)(C)C3(C)C	2042333817	YSXVAKXLHNYTOJ-UHFFFAOYSA-N	241.378	4.645	0	10	BJAE	
C[C@](N)(CCC1CCCCC1)C1CC2(CCC2)C1	2043541558	TWZDRLTXXACRKF-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@@H]1CCC=CCCC1	2045306655	BBSOOTAONJLWFG-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC(C)C1CC([C@@H](N)C[C@@H]2CCC=CCCC2)C1	2045330246	UUUBWAMARIEBLW-VXLLPVPCSA-N	249.442	4.523	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CC(=O)CCCC1CC1	2045609738	JEXLNAAMMHXIQQ-OFQRWUPVSA-N	248.410	4.598	0	10	BJAE	
CN(CC1(C)CCC1)[C@@H]1CCC2(CCCCC2)C1	2046905150	FBZLXZUXUYXVTF-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(C[C@H]2CCC3(CC3)C2)C1	2049849717	SKSSESLYOCCVGZ-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@]1(C)C=CCCC1)C1CCCCC1	2049997502	NZPFYHMXMPFHIG-OIISXLGYSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)c2ccccc2F)C1	2050495420	UAGJYSDGDUSJKF-GFCCVEGCSA-N	248.341	4.615	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC[C@@H]3CC[C@@H]32)cc1	2052287197	VIMIGUFUNNZPFI-HYVNUMGLSA-N	243.394	4.630	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(CN)CCCCC23CC3)C1	2053418312	MBWZFUKDZFZYNI-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1cnccc1C(C)C	2053854527	UDFRLKCQKPTLTD-ZFWWWQNUSA-N	246.398	4.586	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@H]1C)[C@@]1(C)CC=CCC1	2055282783	PHWBRWCKXIMEQC-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(CN)CCC2(CC2)CC1	2056523638	PSQOOLOXZLBYRS-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
CCC1CCC(=C2CC3(CCC(N)CC3)C2)CC1	2056618760	KPQFCSUHXFKCDP-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC(C)c1cccc(NCC2CC(C(C)C)C2)c1	2056732457	XDVVDXFFWOPRHU-UHFFFAOYSA-N	245.410	4.904	0	10	BJAE	
C/C=C/CCC[C@H](O)[C@H](c1ccccc1)C(C)C	2059224585	CILAGEVQHBPOOS-XLYSIVADSA-N	246.394	4.534	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1CC[C@H]2C[C@H]2C1	2059255458	HXJPBWJOSZFTEW-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1CCC[C@H]2C[C@@H]21)NCC	2059261935	ILBICBJZIKFBRN-DZVWSGNESA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1=CC[C@@H](C)CC1)C1(C)CCCCCC1	2060920996	IFUOYCVVUXSDPB-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@@](O)(C2=CC[C@H](C(C)(C)C)CC2)CCC1	2061100148	UYGSPWSGDYJVSG-WMLDXEAASA-N	248.410	4.620	0	10	BJAE	
C=C=CCC[C@@H](CC1CCCCCC1)NCCC	2061561218	PMWAKFBHNIUUPT-KRWDZBQOSA-N	249.442	4.836	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)CCCCCC12CC2	2062029821	BAAZRODBSKGKOZ-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCOc1ccc(C(C)(C)C)cc1	2062620651	POUFIZVJFBBIMA-ZIAGYGMSSA-N	246.394	4.799	0	10	BJAE	
CCCC1CCC(N[C@H](C)C2CC3(CC3)C2)CC1	2064500724	DVJHSMATFMMSBB-VQCLRJIVSA-N	249.442	4.514	0	10	BJAE	
CCCC1([C@H](CC23CCC(CC2)C3)NC)CCC1	2065310627	OONGBLGOXFMHSP-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@H](CC23CCC(CC2)C3)NCC)CC1	2065313101	OYTDMBRCXQAQIV-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
NCC[C@H]1CCC[C@H](CC23CCC(CC2)CC3)C1	2065339375	YZRYJDLNUDUNFN-GMRIPVOYSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068723459	MQPUUXPHUSBPCC-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)C1(CC(C)C)CC1	2069515043	VVRLYJWBFBDMGX-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)CC[C@H]2C[C@H]2C)cc1	2072095043	LHUOEKWXPMKLCF-UWWPHRKUSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1ccc(C)cc1F	2072416032	BMDYQEZFWVSNFI-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCCC1CCC(C=C2CC[C@H](CC)NC2)CC1	2072819163	RMPSSFZFMFEYED-DQPZFDDXSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@]12CCCC[C@@H]1C2	2074028513	HUKXOALAWUPVFN-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CCNCC1(C[C@]23CCCC[C@@H]2C3)CCCCC1	2074032955	IHFOQBZKUQPORL-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)c1ccc(C)cc1	2074640557	DCWWURCZRMZRFE-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC23CCC(C)CC3)C1	2074893265	SOKFMERGAHJUDR-GMRIPVOYSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2075569109	OITIGYKUVFUQQK-VIQHNZTISA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1[C@H]1CCCC(C)(C)C1=O	2076451863	YEIUEOFMTIVDBV-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CCN([C@H]1CCCC1(C)C)[C@H](C)c1ccccc1	2078725088	OJXLCDZSPFMFDL-ZBFHGGJFSA-N	245.410	4.648	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1C[C@H]1C1CCCCCC1	2079434470	HLPRIICHVUZJAF-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC=CCCCNC[C@H]1C[C@@H]1C1CCCCCC1	2079461840	LXYZVXJCLXFHBM-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(NC[C@@H]2C[C@@H]2C2CCCCC2)c1	2079643917	ZCSKTRNDPBCHRH-DOTOQJQBSA-N	243.394	4.623	0	10	BJAE	
Cc1ccccc1OC[C@H]1C[C@@H]1C1CCCCC1	2079801833	IJEMFVAOPFSJOR-HZPDHXFCSA-N	244.378	4.590	0	10	BJAE	
C[C@](N)(C[C@H]1C[C@@H]1C1CCCCC1)C1CCCC1	2079832464	NJNNMJOBNWOLKV-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C(=O)C[C@@H]2C[C@H]2C2CCCCC2)C1	2079862398	IIGLLKLYUJVNOQ-ZFWWWQNUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H](C)C1CCCCC1	2080249808	QQRVHBJSFPWQAC-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@H]2CCC[C@@H]2C)c1	2082952305	CBQURFNAUGJXNE-SWLSCSKDSA-N	244.378	4.621	0	10	BJAE	
CC[C@@H]1CC[C@H](N(C)C[C@@H]2CCC=CCCC2)C1	2085278609	BFCAABTZEIHGGH-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
Cc1cc(CC=Cc2ccccc2)c(C)s1	2211660893	BLKFGGPUPRKMJQ-UHFFFAOYSA-N	228.360	4.621	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@H](N)CCCCCCC1CC1	2213578586	NVOMNUVKELOVNA-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)c1cc2ccccc2s1	2215346819	SQVDANBKIWZQOB-GHMZBOCLSA-N	244.359	4.520	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CC1(C)CC(C)(C)C1	2215401925	SBNPNOYMOKTHFE-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@@H](N)CCCCCCCC1CC1	2216858584	DHHKLTDCGOSPPM-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CC[C@@H](O)CCCCCCCC1CC1	2216859153	GTVGSLNHDCBOON-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CCCC1(CN[C@H](C)CC)CC2(CCCC2)C1	2217127029	GNJQUNIGJLQBGG-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN(C2CCC(C)CC2)C1	2218155055	FCBTYNHPMQODDA-CGZBRXJRSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218350049	JQRFAFQUCWAGAB-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CC[C@H]2C[C@H]2C1	2218728818	WGXUQSJCAZCLNG-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@H]1CC[C@H]1C	2220516531	BOCFKFZBMOPINZ-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@@]1(N)CCCC2(CCCCC2)C1	2220663999	QAOXZKVTUWJEKV-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H]2CC=C(C)CC2)CC1	2221667625	MALDLGPNODXNRK-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
N[C@H]1CC(=CCCCCCCC2CC2)C12CCC2	2223118021	AXLUGFCXEOHHHO-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1csc(C)c1C	2242614672	GEENBVFGIMQAJR-GXTWGEPZSA-N	239.428	4.581	0	10	BJAE	
Cc1ccc(OCC2=CCCCC2)c(Cl)c1	2243269536	ATBNPHAWURBDFC-UHFFFAOYSA-N	236.742	4.528	0	10	BJAE	
CCC[C@H](C)C[C@H](N)C[C@H]1CCCCC12CC2	2246603432	QYGNPSZFOZSLCJ-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCC[C@@H]1CCC[C@@H](C)C1)C(C)C	2246724760	FDJMWFSDZGABTP-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](CCCC[C@H]1C[C@@H]1C)NC	2247159458	NHXBGGJCBJMLRA-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC[C@H]1CCCC12CC2	2247620110	COPSZCHIDNUUQK-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C[C@H]1CCCC12CC2	2247667652	XPDKWEZWBZAZAB-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)C(=O)CCCCC[C@H]1C[C@H]1C	2248860147	ZKEIMXGEPWRSER-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(N[C@H]2CCCC2(C)C)cc(C)c1C	2249491415	QZDYIRCKAYQUFR-HNNXBMFYSA-N	231.383	4.602	0	10	BJAE	
Cc1cc(NCCCC2CCC2)cc(C)c1C	2249497961	BVTKOWYYDGQMPU-UHFFFAOYSA-N	231.383	4.604	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(CCC2(C)CC2)C1	2251666400	PWCVIJKLXKMXBQ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC1CC(C)(C[C@H]2CCNC3(CCCCC3)C2)C1	2253694043	KVLYQDUZCKSJLW-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@@H]1CCCCCC12CC2	2254517297	QHFHHEMDSFMCQZ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H]2CCC23CCC3)CC1	2254910884	AWJWRVZOAOIMOX-GDBMZVCRSA-N	246.394	4.662	0	10	BJAE	
CCCc1ccc([C@H](O)[C@@H](C)CCC(C)C)cc1	2256318327	RQJQWNXLPFVQBR-WMLDXEAASA-N	248.410	4.745	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CNC12CCCCC2	2257362568	SQWGWGYLEYIXOS-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@@H]2C(C)C)cc(C)c1C	2258235197	GKEUKMNULUVIJA-SJORKVTESA-N	245.410	4.848	0	10	BJAE	
CC1CC2(C1)CC(CNC1CCCCCCC1)C2	2259562595	WRKDYMUPWWDYIT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCCC1)NC[C@@]12CCCC[C@@H]1CC2	2260552975	KGRVYKYJIQRVKI-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@]12CCC[C@@H]1CC2)C1CCCCCC1	2260586402	HEVWYRZQRKIYMH-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CCCC1)C1CC(CC(C)(C)C)C1	2261192466	VMIMWZIUMRNGIK-AVVWSFFYSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)[C@@](O)(c1ccccc1)C1CCCC1	2263749798	IJEHJNAHKKVPIX-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CCN[C@H]1CC(C)(C)C[C@@H]1CCC(CC)CC	2300685196	BZZPVURCWXBOIG-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CCC(CC)CC	2300688034	JFVMZNJPHUIAIS-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC=CC[C@@H](NCC)[C@H]1CCCC(C)(C)CC1	2300871841	JORDSTCWKBKMOE-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC=C(C)[C@@H](CCC1=CCCCC1)NCCC	2301899300	HNHZINXBUUYWTQ-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CC(C)C[C@@H](C)Nc1cc(F)ccc1C(C)C	2301904984	JFAWFRVYOVUIHO-GFCCVEGCSA-N	237.362	4.796	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCC[C@@H]2C[C@@H]21	2302850140	RXJINJVEHFTCRS-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CC[C@H]1C(C)(C)C	2303499067	LSVCADCBHULNSG-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H]([C@@H](N)CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304432953	ZMKUTPLACUXJEJ-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CCC(C)(C)C2)C1	2304435164	MQBKHYDONWSGGI-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(N)CCCC(C)(C)CC1	2307748827	DMMIIBGALSTUEV-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2307926973	TWOPOEIHHRCQDO-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CCC1CC1)N[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309184590	IKTTYHNGIKUCON-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1	2311511526	AMMVAQVPKKBADO-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2311525488	SWHIKHAQDNDTTF-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC1CC1)C[C@@]12CCCC[C@@H]1CC2	2313321025	FOJZAHRJOUIEKY-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC2CCC2)C=CCC1	2316251856	PHCJCHHZNCXCDD-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CCNC[C@@H]1C[C@H]1C1CCCCCC1	2316488355	HRMUJSAVXKYGQW-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H]1C[C@H]2CC[C@@H](C2)[C@@H]1CC=C(C)CC	2316531633	HQEHPFSFYKJHJL-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@H](C[C@@H]1CCCCC12CC2)NCCC	2316535867	KIBHEGBGTWVVIF-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@H]1C[C@H]1C1CCCC1	2316875417	WDKMRTXIOQLXHR-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316885055	OFEANQOHNOFLIL-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC[C@H]1CCCC12CC2	2318930402	XJIGQMLPBHLCTR-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H]2C[C@H](C)CC(C)(C)C2)CC1	2320238345	UDEMKHCAKSAAMZ-RCBQFDQVSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CCCCC2(C)C)CC1	2320411758	FXQQDPWIPZPOOC-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC1(C(=O)Cc2cccc(C(C)C)c2)CCC1	2320640977	VKWAZUMHGIMMDP-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC(C)c1cccc(C[C@@](C)(N)CC(C)(C)C)c1	2320659811	ICQKOUGRNXFODZ-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)[C@H]2CCC3(CC3)C2)C1	2321634535	SQBMZKJNZHSTFH-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@H]2CCC2(C)C)c1	2327683275	YELUXEGJHDYMKR-OAHLLOKOSA-N	244.378	4.737	0	10	BJAE	
Cc1ccc(C(C)C)c([C@](C)(O)CCC(C)C)c1	2327709185	XADOPTHOUMEKSW-QGZVFWFLSA-N	248.410	4.762	0	10	BJAE	
CCCCCCc1ccc([C@H](N)[C@H](C)CC)cc1	2327895421	CDLGFRIKQDUMGA-RHSMWYFYSA-N	247.426	4.855	0	10	BJAE	
CCCCCCc1ccc(C(=O)C2(C)CC2)cc1	2327896786	UFGPBJRCJHKVNH-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1c(C)c(C)cc(C)c1C	35491132	KNPFSBAKAHWZRZ-APPDUMDISA-N	247.426	4.617	0	10	BJAE	
CCN[C@@H](c1csc2ccccc12)[C@H](C)CC	35555173	HHODOYLJXKPVNW-IAQYHMDHSA-N	247.407	4.598	0	10	BJAE	
CCCC[C@@H](NCCC)c1ccc(Cl)s1	35583521	UOEWCTPWUGAZQX-SNVBAGLBSA-N	245.819	4.632	0	10	BJAE	
CCC[C@@H](C)C(=O)c1ccc([C@@H](C)CC)cc1	36940767	ZYXMBRWPFXTTFA-QWHCGFSZSA-N	232.367	4.819	0	10	BJAE	
CCCC[C@@H](O)c1ccc(-c2ccccc2)cc1	40245099	QLIGCPRAHIGSPJ-QGZVFWFLSA-N	240.346	4.577	0	10	BJAE	
CCC(=O)c1cc(C)c(-c2ccc(C)cc2)s1	42731915	ADBUOSNBBSLRBV-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
CCSc1ccccc1N[C@H]1CC[C@H](CC)C1	80458319	IFBPUJMZAVKQKV-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1C	84981993	MMHZBSHCMQPEMS-UXIGCNINSA-N	231.383	4.540	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCC[C@H](C)CC2)c1	86880666	LRUYTTNATUQTLJ-AAEUAGOBSA-N	235.346	4.515	0	10	BJAE	
CC(C)(C)CC[C@@]1(O)CCCC[C@@H]1C(C)(C)C	87164183	JWYLVNXZCLVMJL-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)CC[C@H](C(C)C)C3	87818919	RDOMCTQWNQSTJA-ZDUSSCGKSA-N	241.378	4.546	0	10	BJAE	
CCC[C@H]1CCc2[nH]c3c(C)cc(F)cc3c2C1	87819013	SDUHUPYAFYNTMY-NSHDSACASA-N	245.341	4.520	0	10	BJAE	
CCC(CC)[C@]1(N)CCC[C@@H](C(C)(C)C)CC1	94676222	JTTVTWYURWIYCZ-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)CC(=O)C(CC)(CC)c1ccccc1	109711838	HVHLVUJZMXXOCE-AWEZNQCLSA-N	246.394	4.750	0	10	BJAE	
CCC1CCC(N[C@H](C)c2ccc(C)cc2)CC1	109902035	SDSZOPLVRFVQLZ-HPUBIQBYSA-N	245.410	4.614	0	10	BJAE	
CC(C)CNC[C@H](CCC(C)(C)C)CC(C)C	110184138	DMLGOWIPGZNTNV-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCCC)NCCC	124646697	GKDLTSIWEMAZBT-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)c1cc2ccccc2o1	126595186	XNKWOOSHFRHXLI-ZDUSSCGKSA-N	245.366	4.520	0	10	BJAE	
CCCCCC[C@H](C)[C@@H](NCC)c1ccccc1	128548899	ZGOQDUMVMPQNOR-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)c1csc(C)c1	129448905	ZGZSNYARVJBWTQ-FZMZJTMJSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)c1coc(C)c1	130198308	GZYKRRFIUJKAAK-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
CCCCCC[C@@H](N)c1cccc(CC(C)C)c1	131799139	JOVCEWHTHMXKSR-QGZVFWFLSA-N	247.426	4.855	0	10	BJAE	
c1ccn(C2CCCCCCCCC2)c1	140072362	RUIWSANHYSPKGF-UHFFFAOYSA-N	205.345	4.554	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CC1CCCCC1	148210984	FFPFBXXXDBYNMU-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)C2CCCCCC2)o1	149837774	LUMAUWQGPKGKDA-KBPBESRZSA-N	249.398	4.598	0	10	BJAE	
CCNC[C@H]1CCCCC[C@@H]1CC(CC)CC	150106657	UJONYAIKLWGYRS-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1C(=O)[C@H]2CCCCCCCCCC[C@@H]12	162331318	CTIBTCIYJOHPPQ-KKUMJFAQSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C[C@H](C)CC	167830228	LHNJZBGNJRTEIT-CHWSQXEVSA-N	212.377	4.598	0	10	BJAE	
Cc1ccc2[nH]cc([C@H]3CCC[C@H](C)C3)c2c1	200603369	HKZKESCATUTGQE-AAEUAGOBSA-N	227.351	4.770	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCCC(C)(C)CC1	212524293	GBHTZVXYJJRLSI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](F)C1(c2ccccc2Cl)CCCC1	220501100	ALEIUBKJTPAUNQ-SNVBAGLBSA-N	226.722	4.510	0	10	BJAE	
CCC(CC)C[C@H](O)c1cccc(Cl)c1C	220578727	FWKJWUSHBHXIHG-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)C1CCCC1	225970938	ISYGPEYXGBEPHH-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@H]1CCC[C@@H](CC)C1	227002173	XYJVHHJNUIZHPM-YCPHGPKFSA-N	249.398	4.537	0	10	BJAE	
CCCC(C)(C)NC[C@@H](c1ccccc1)C(C)C	232902986	WLZFYKLHSKLSFQ-MRXNPFEDSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1scc(C)c1Cl	233334219	MGAJULMLBDXGNX-WCBMZHEXSA-N	246.803	4.570	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)C1(C)CCCCC1	234047303	HQSZZVNWPQARPW-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H]1CNc2ccc(F)cc21	235082210	DCELASMPNSWEKF-NHYWBVRUSA-N	247.357	4.551	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](C)[C@@H](O)c2ccccc2)C1	252907936	XJODOGITTVZACA-HDEZJCGLSA-N	246.394	4.573	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1[C@H]2CCCC[C@H]21	253181250	FEGXIMQTQOSQBM-NYTXWWLZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CN)CCC1CCCC1	300759044	NIAWBBKYJSDZJM-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
Cc1cccc(CC[C@@H](O)CCCC(C)(C)C)c1	302362867	XXGYGPYEEDBAMS-INIZCTEOSA-N	248.410	4.505	0	10	BJAE	
CC(C)[C@@]1(CCC2CCCC2)CCCCCN1	305899095	YWXOGLJCDQOODF-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCc1cc(N[C@H](C)c2cccs2)ccc1C	310069189	YNGCRPOZPPTGIT-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CC2(C)CCCC2)C1	310181172	XDRYICHDTKPYFY-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC[C@H]2C(C)C)c1F	310672945	OIDXPNHOFMSZKC-KBPBESRZSA-N	249.373	4.761	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1N[C@H]1CCCC12CCCCC2	313005511	BWORSQUQGATUPW-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H](C)[C@H](C)CC	320094560	YYYAZIUFSUDWKX-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)[C@@H](N)CCCC/C=C/c1ccccc1	324108774	FRQQPWJVVKPQQV-BPLPYTOXSA-N	245.410	4.634	0	10	BJAE	
CCC[C@H](NC[C@@H]1CC(C)=C[C@@H](C)C1)C1CCC1	324628145	DZRQYYOIBCMVBT-KMFMINBZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](CC2(C)CCCC2)C1	380134396	FBQMDXHJFOTKFY-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1csc2ccccc12	383389724	JVQUZUTYGODADH-IAQYHMDHSA-N	248.391	4.617	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@@H]1CCCC(C)(C)C	384533176	VGBUXBOKWJMAJW-UKRRQHHQSA-N	245.410	4.876	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CC2CCC1CC2	394336538	XUPQMLWFMJHUAC-YIZWMMSDSA-N	249.785	4.639	0	10	BJAE	
CSc1c(C)sc2cccc(C(F)F)c12	396399499	BNEHBVZODUMNIE-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CSc1c(C(F)F)sc2cc(C)ccc12	396411351	TWRMXGLQBRYLMC-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@@H](C(=O)c1cccc2ccccc12)C(C)(C)C	399161922	LDTMCWFOYCASGC-LBPRGKRZSA-N	240.346	4.705	0	10	BJAE	
CCCC[C@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NCCC	402173620	YDWPMKRRTMUADN-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C(=O)CCC(C)(C)C2CC2)c1C	405814571	MUPKHIUPGFYVAZ-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCCC1([C@H](O)CCC(C)(C)C2CC2)CCC1	686919589	NIYKDUZXNDPZIJ-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
N[C@H](CCCC1CCC1)C1CCCCCCC1	688356067	LGNVXZVJWDNKCO-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)c1cccc(/C=C/CCNC(C)(C)C)c1	688968307	XNMZCOGHYZWLJM-RMKNXTFCSA-N	245.410	4.601	0	10	BJAE	
CCSc1cccc(N[C@@H]2CC[C@H](CC)C2)c1	689705941	RAGABFXIEZWVBY-GXTWGEPZSA-N	249.423	4.789	0	10	BJAE	
CC(C)CCCNc1cccc(C2CCC2)c1	690153326	SEKMJZFLFVUKND-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H]1CCC12CCCC2	694472412	GWVXRMVJJQHLRK-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
CC[C@@H](N[C@H](C)C(C)(C)CC)c1cccc(C)c1	695102317	ZSSCLJIYEGNJFD-GDBMZVCRSA-N	247.426	4.860	0	10	BJAE	
C[C@H]1C[C@H](NC2CCC3(CC2)CC3)CC(C)(C)C1	695687194	AQUNLWVJDPPSOO-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CCC(=O)c1csc(Cl)c1	696592340	HTIYJMUQGVWMNJ-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
C[C@H]1CC[C@@](C)(C(=O)CCCC2CC2)C1(C)C	699028619	YTDNUDDSUNPAJU-LRDDRELGSA-N	236.399	4.598	0	10	BJAE	
CSc1cccc(N[C@@H]2CCC23CCCC3)c1	703654539	QMXKNAKKCGRYGK-CQSZACIVSA-N	247.407	4.543	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CCC1CCCC1	704825684	LTRGCLURGHIPRZ-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H]1CCCC[C@@H]1C	704841447	GBAGYZBGOIXWAB-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@H]1n1ccc2cc(F)ccc21	704960473	ZJLXWFPFDKJAOM-BXUZGUMPSA-N	231.314	4.532	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCCC12CCC2	707519813	PFSPOGBWYGXCEP-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](C)CC(C)(C)C)c(C)c1	709265014	TWTBOTLWCJIXQK-ZDUSSCGKSA-N	232.367	4.558	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CC[C@H](CC)C2)c1	709712601	PRLLUWJPJOPLPM-BBRMVZONSA-N	245.410	4.802	0	10	BJAE	
CC[C@H](C)CCN[C@@H]1CCC[C@H](C(C)C)CC1	710143325	NKCFDIPEMDEFSE-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@@H](O)C(C)(CC)CC)C(C)(C)C	711066498	MWNLOCIOJOGUBU-CHWSQXEVSA-N	228.420	4.636	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H]3CCCC[C@H]32)c(Cl)c1	712390391	PTKVOZSXZZBKRZ-LALPHHSUSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CCC[C@@H](CC(C)C)C1	713246882	YECMXVGSLDVHBN-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
C=C/C=C/CCc1cc2cccc(Cl)c2o1	713635172	SFQDCMDVBPNQHS-ONEGZZNKSA-N	232.710	4.761	0	10	BJAE	
CC[C@@H](C[C@H](N)CCC(C)=C(C)C)C(C)(C)C	718490708	CXHSFIVHMAZPND-LSDHHAIUSA-N	239.447	4.913	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC=CCCC1	718974939	HGBUMHMGEIDDOP-JKSUJKDBSA-N	237.431	4.811	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@H]2C[C@H]2CC)CC1	723145198	ZRIZOWODESVLQH-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(SC[C@H](C)C(C)(C)C)c1	1188683181	DZMYSZITYDHRMN-LBPRGKRZSA-N	222.397	4.769	0	10	BJAE	
CCC[C@@H](C)S[C@H](C)c1ccccc1F	1652626158	BYZZYMQDSDJGTQ-GHMZBOCLSA-N	226.360	4.809	0	10	BJAE	
C=C/C=C\CCN(C(C)C)[C@H](C)c1ccsc1	1654767443	RHUDCQGUKNHIKK-LMVHVUTASA-N	249.423	4.652	0	10	BJAE	
CCC1(CC)CCCN1C[C@H](C)CC(C)(C)C	1655508586	JDCFMMQLWGFMIV-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCC(C)=CCn1ccc2cc(Cl)ccc21	1900854792	KUTPVFINTWFRKN-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H]1CCC[C@H]1C	1909759576	MANLSLZUSFWSQO-PMPSAXMXSA-N	239.447	4.713	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@H]1C1CCCC1	1910684095	CYDPOIAMHXXRMV-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@](O)(CCC)C1CCCC1	1910696591	PMTYMDPMRONJLI-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCF)[C@H](CCC)CC(C)C	1913286036	DJNHKJIDAHEQIJ-CABCVRRESA-N	245.426	4.567	0	10	BJAE	
CCC(CC)C[C@@]1(CNC(C)C)C=CCCC1	1916582061	YXIKBJXADJLDGO-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H](C)CC(C)C	1920186793	IDBXLKYHGMRYOZ-RRFJBIMHSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC1(C)CCCCC1	1920189952	RSBFPEFEZBFCDK-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@H]1CCCC[C@H]1CC	1920196148	GOUSTGIDFSZGRI-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@](C)(N)CCC(C)(C)CC	1920197638	OPKFOWKEQOHJTC-OAHLLOKOSA-N	227.436	4.891	0	10	BJAE	
CCC1CC(CN[C@@H]2CCCC23CCCCC3)C1	1921247326	SRIASWJFVWHQIQ-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(NC[C@H]2CCCC23CCC3)CC1	1921603804	OHROTVCVFQUMET-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
O=C1[C@H](C[C@@H]2C=CCCCC2)C[C@H]2CCCC[C@@H]12	1925764416	ZCUVUELOFFHHPA-KLHDSHLOSA-N	246.394	4.518	0	10	BJAE	
O=C(CC1CCCCC1)C[C@@H]1C=CCCCC1	1925801499	DAYATNAFGAILSY-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
C1=C[C@@H](Cc2ccc3cccnc3c2)CCCC1	1925830992	VQLIIYFYZWNBNE-CQSZACIVSA-N	237.346	4.524	0	10	BJAE	
CCCC[C@H](CC[C@@H]1C=CCCCC1)NCC	1925935017	QWHFNZOEVZXDIJ-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(=Cc1csc(Cl)c1)c1cccc(N)c1	1935997291	XWYLDJNRTHTFNL-UHFFFAOYSA-N	249.766	4.544	0	10	BJAE	
CCCCCC[C@@H](C[C@H](C)C1CC1)NCCC	1940720801	IUIIKTNYAOXPGQ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@H](C)[C@H](C)CC	1940795434	GMDSABAQBQAPNA-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)CC(C)(C)CC	1940884422	YCZJNHDUXNXQAD-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1cccc2ccsc12	1941252994	SIGKBCWLEGOTAW-TZMCWYRMSA-N	248.391	4.617	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@H](CCC)C(C)C	1941263765	PVYYGCDYQQPWSM-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)[C@@]12CCCC[C@H]1CCC2	1944222310	NWFOEVQCJDJNNE-GOEBONIOSA-N	236.399	4.886	0	10	BJAE	
C[C@H](CC(C)(C)C)NCCC1(C)CCCCC1	1945420297	ZLWMBFRPFHXYKJ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC=C[C@H](C)N[C@H]1CCC[C@@H](C(C)(C)C)CC1	1947061936	VFGYCFRIBBOYJO-ZNMIVQPWSA-N	237.431	4.536	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cc(C)ccc1C	1947468037	XVRHJSWAGHLNIV-LSDHHAIUSA-N	231.383	4.684	0	10	BJAE	
OC1(CC2CCC=CCC2)CCCCCCC1	1947543605	PBMSZZXTJPPWRG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2C=CCCC2)c(Cl)c1	1947553591	ZQGQTDDQFAZTGY-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
CCCC[C@H](CCC(C)(C)CC(F)F)NCC	1948428395	GBRZLQKCOOWLCG-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC1CC2(CCC2)C1	1949837022	GGQQGIXGGXUWHH-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](N)[C@H]1CCCC(C)(C)CC1	1950919197	NLHJNEPYZRFOIZ-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cc(Cl)sc1C	1958154794	PGIWRDAXQVYRTL-LLVKDONJSA-N	246.803	4.570	0	10	BJAE	
CC(C)CC[C@H](C)N1C[C@H](C)[C@@H]1c1ccccc1	1962913071	LXOBDOQLQMXYTE-YQQAZPJKSA-N	245.410	4.504	0	10	BJAE	
CCCC[C@H](C)N(C)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1964202133	GNMFNBBIKOEAKY-XUWVNRHRSA-N	239.447	4.569	0	10	BJAE	
CC1CC(C)(CN[C@H]2CCCC23CCCCC3)C1	1966459760	SIKFIDJMGFZPBD-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2CCCC3(CC3)C2)c1	1968308183	TYXFCDWWFJDHOU-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
Cc1cccc(OCC[C@H]2CCC[C@@H](C)C2)c1C	1968364221	ILNBUYKOHVUWKZ-CZUORRHYSA-N	246.394	4.899	0	10	BJAE	
CCC(C)(C)N(C)Cc1ccccc1C(C)(C)C	1970204122	PNSZFVBUPALPTM-UHFFFAOYSA-N	247.426	4.605	0	10	BJAE	
CCc1ccc(N[C@H]2CCC3CC2C3)cc1Cl	1970789012	LZFXZFPQTCSLHA-QHAMSDLMSA-N	249.785	4.503	0	10	BJAE	
CCC(CC)(CC)C(=O)CCC1CCCC1	1978451776	PGHIJHWBDAZSOJ-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC=CCCCCc1ccccc1CCC	1984616446	LSIHBSAZXWPLEX-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1cc(C)c(C)s1	1989976983	QQISZBIXNASHQU-ZDUSSCGKSA-N	240.412	4.615	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H](C)C(C)(C)C	1990094440	VZNKGKQQLOBJPN-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC(=O)CC1CC(C)(C)CC(C)(C)C1	1994026952	VUHMDRCTXVSUQA-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCC[C@H](O)CC[C@@H](C)CCCC	1995258438	DOBHZBPPFVABTL-PGXISHIXSA-N	226.404	4.700	0	10	BJAE	
C[C@@H](N[C@H](C)C1(C)CCCCC1)C1CCCC1	1995983855	SJTYHEQGGNXQRK-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@H]1CCCC[C@@H]1C	1996590572	WPYRCVDUOXCEQR-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(O)CCCC2(CCC2)C1	1997044345	YFYBVSMJGVWVPU-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)CCC1CCC1	1998031786	HCUGCOBSLBZOLV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@H]1CCCC(C)(C)C1	2000042893	WVQWYZLMNCQEFQ-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1C=CCCC1	2000197388	XZYDUFLEOFQMAG-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C(CC)(CC)CC	2000375245	AHEOEEMWSXTGLU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1(C(C)C)CCC1	2000376203	KWMNPDBTOLDTTD-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CNC)[C@@H]1CCCC[C@@H]1CC	2000507401	FZZFEBNDGZKWGY-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CNC)C[C@@H](C)CC(C)(C)C	2000510328	OKNSZOMDVPUWQJ-HOCLYGCPSA-N	241.463	4.865	0	10	BJAE	
CCC1(CNC2CCCCCCCC2)CCC1	2003097973	DBQKRSBTFHROGC-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@]1(C)C=CCC1	2003328903	HAYFJCCXIHKLDR-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(C(=O)CCCCC2(C)CC2)c1	2003643533	SDSOCIIFZBHRKH-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCCCCC[C@H](C)NCC1(C2CCC2)CC1	2004533943	DSYWYECBDOPOEQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@@H](CCC=C(C)C)C1	2006621447	AWFRGKHCNKMTJO-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](CC)C[C@@H](NCC)C1	2006631501	MAPMQRYNTHZUCF-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@@H]1CCC[C@H]2C[C@@H]12	2008276572	VIQNCKHJAAOKPP-DZKIICNBSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@@H](N)[C@@H](CC2(C)CCCC2)CC1	2009404579	OYCQFDZHWCOGHH-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CN	2009616110	GBVQXVXSKNKLEN-ARFHVFGLSA-N	237.431	4.524	0	10	BJAE	
C[C@H](C[C@@H]1CC(=O)CC2(CCC2)C1)C(C)(C)C	2012084891	SKHRTQATKBBRIU-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C(CC)(CC)CC	2017476441	XOQNBGMXCUWMOA-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2017786863	BTLJIUCXZWTVRE-LJISPDSOSA-N	239.447	4.568	0	10	BJAE	
CCCCC[C@H](CC)NCC[C@H]1CC=CCC1	2018127785	NVMXRXQKEOTBQC-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCC1(C[C@H](C[C@@H](C)C(C)(C)C)NC)CC1	2019006007	LJTXOBONSXFPFS-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1(CC)CCCC1	2020964184	FPFBSFJLFFXNSP-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC[C@](O)(C[C@H]1C[C@@H]1C(C)(C)C)C(C)(C)C	2022455570	XMGBVHKMWVTRIG-WWGRRREGSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C[C@H](N)CCCCC(C)(F)F)C(C)(C)C	2023278175	IHMHAOOCTQTIEU-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CCCCC(C)(F)F)C1	2023331729	MWGVDCGLCNTQTR-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC[C@H](C(C)C)C1	2025577072	AYCDYQOGQCDKGL-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@H]1C[C@H]1C(C)C	2026170688	ROJRDZFJMCBDHA-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(CC2CC=CC2)cc1C(F)(F)F	2026349397	JYKRZIJEGVDEDP-UHFFFAOYSA-N	240.268	4.523	0	10	BJAE	
c1sc(C2C[C@@H]3CC[C@H]3C2)nc1C1CCCC1	2026603536	PJIQKJZHAVOCMN-RYUDHWBXSA-N	247.407	4.704	0	10	BJAE	
CC(C)c1cccc([C@@H](O)CC[C@@H]2CC2(C)C)c1	2027813252	USXRNDBMNLYYTE-CVEARBPZSA-N	246.394	4.670	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCC[C@@H]2CC2(C)C)c1	2027832327	KYURSPJJJJYUSG-GDBMZVCRSA-N	245.410	4.520	0	10	BJAE	
CC1(CCCC(=O)CCCc2ccccc2)CC1	2027855558	PTUVNQJWRIKZCM-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1cccc(C(C)C)c1	2028235705	RWDIPMSNSBDERJ-IRXDYDNUSA-N	248.410	4.916	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)[C@@H](C)CCC(C)C	2029835423	GDIMFIGFWMATSB-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CCN[C@@H](c1ccccc1C)[C@@H](C)CCC(C)C	2029836197	JPPHWDHMGRNCPT-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CCN[C@@H](C1=CCCC1)C(C)(C)C1CCCCC1	2032342140	RFQFYSFFMMHGTE-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)CC(C)(C)C1CC1	2035589421	GZQZCGQMAICZHV-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@@H]1CCCCC[C@@H]1C[C@@H]1C=CCC1	2035592806	PXEFKHVGKQZKDZ-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@H]1C=CCCC1)C1CCCC1	2035594340	VGKGCHUQLCOZSI-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)[C@H](C)CC(C)C)cc1	2036386556	YLPTVMBENPRXBS-OWCLPIDISA-N	247.426	4.716	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)N[C@@H]1CCC2(CCCC2)C1	2036769996	AAJTXLAWRAZZCF-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@@H]2CCC[C@H](C)C2)cc1C	2037049286	ZBSYTWRVXFSMKV-MJEQTWJJSA-N	245.410	4.520	0	10	BJAE	
Cc1cc(C)c([C@](C)(N)CCC(C)(C)C)c(C)c1	2037093337	BRQFZQYXJTYXHS-QGZVFWFLSA-N	247.426	4.612	0	10	BJAE	
CC[C@](N)(CCCC1(C)CC1)c1ccc(C)cc1	2037175494	ZDOMENMACGSYPF-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CC(C)CCC[C@@H](N)Cc1ccccc1C(C)C	2037178186	NAEQACHAMPJVNL-MRXNPFEDSA-N	247.426	4.506	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@H]2C=CCCCC2)C1	2037272884	HYQAUVOMTOQZCZ-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC[C@H]1CC[C@@H](C)C1)c1ccccc1	2037700275	FOLMYGVQTBTTMP-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CC(C(=O)CC23CCC(CC2)C3)C[C@H](C)C1	2039422543	WFYCGJXHBFDVKZ-GXZXJKLZSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@](C)(N)CC[C@@H]2C[C@H]2C2CC2)CCCCC1	2039849583	MKVUBFWQCYTGFW-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(C2CCCCC2)CCCC2(CCCCC2)C1	2040762954	KGFGIILNZSFFHB-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@@H]1CC=CCC1	2042018953	KLMYCKYEKXQGFT-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@]2(C)CC=CCC2)CC1	2042071753	JMYBZHBIBRYOIO-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@@]1(CNCC(C)C)CC=CCC1	2042086252	CMNUYPUXRMLZFB-QGZVFWFLSA-N	249.442	4.705	0	10	BJAE	
C[C@H]1C[C@H](N[C@H]2CCC3(CCC3)C2)CC(C)(C)C1	2043609187	XNTGPTSQQKAUIJ-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(F)cc(NC[C@H]2CCC=CCCC2)c1	2045329427	NVIIOCUPFRVSMR-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)C[C@H]1CCC=CCCC1	2045329712	QDDQOVURPCHGAF-YQQAZPJKSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@H]1C(C)=CCC[C@@H]1C	2045805802	ITCHIMHTUPUZGZ-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@](C)(CN)CCCCc1ccccc1	2045977078	WKZGTCZOPJENJU-KRWDZBQOSA-N	247.426	4.555	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@@H]1CC12CCCC2	2047014396	BNFRFFIUYDDXNF-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@@]1(CCC2CCC2)CCC12CCC2	2047934813	DUHODQIPZZUBCX-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@H]2CCC23CCC3)C1	2047940995	ZDQVFKACYRQQTH-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC1[C@H]2CCCCC[C@H]12	2048470331	NOPNKICRSPAOCE-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@@H](C)NCCC2=CCCC2)CC1	2049416619	ADFJWCXRXSHRBP-HPUBIQBYSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@H]1C[C@@H]1C=CCCC1	2049706033	XQQFPPYNVGZSCP-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@H](NC[C@H]1CCC2(CC2)C1)C1CCCCCC1	2049857680	SYNOAXUMOKDCRF-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCCCC1CC1)c1cccc(F)c1	2050494886	NKLYVOITPSFNJA-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CCC1(CC)CCC(NC[C@@H]2C=CCCC2)CC1	2051593359	FHBBAUAQPYVGFN-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC(=O)CCc1ccccc1C(C)(C)C	2053970064	OACZLXLUANBJAQ-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CN[C@H](C=C1CCCCC1)C1CCCCCCC1	2056875852	KVOLBDATSSZBPZ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC2(C3CC3)CCCC2)C1	2057604050	NHVWPUDPDMZXGB-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@@]2(CNC3CC3)CCCC2(C)C)CC1	2059173740	SZMZUYBTKUSCNK-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCC[C@H](NCC)c1cccc(C)c1	2059248209	ZPFNPYDSBRQTFR-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)C1(C)CC(C)C1	2061146770	JSSVMTKODMNGPJ-GNHJJJEISA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC[C@@]12CCC[C@@H]1C2)C1CCCCCCC1	2061574764	KZZIFGYPOQIBNJ-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@]12CCC[C@@H]1C2)C1CCCCCC1	2061616347	JEFSUCFJAJTBNL-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C[C@@]12CCC[C@@H]1C2	2061617137	NPJFEBQJJANZLC-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C(=O)CC2CC(=C3CCC3)C2)CCC1	2061701170	HNBZJXXKNXIBRS-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
Cc1cc(C)cc(NCC2CC(=C3CCC3)C2)c1	2061720122	GOHTXYPAQRTKBI-UHFFFAOYSA-N	241.378	4.606	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@]2(N)CCCCCC23CC3)C1	2062021922	ZAFFBNYAXBNHIX-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC(C[C@@H](N)CCCC3CC3)C2)C1	2063200469	KOPDTPSZDONOAW-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063536417	RUYXOCHQIKGCQS-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CC[C@@H]2C2CCC2)CC1	2071786415	NRPKNWNSBVCJLM-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
Cc1cc([C@H](N)CC2(C(C)(C)C)CCC2)c(C)o1	2071946017	LVFQHNIJEALZAR-CQSZACIVSA-N	249.398	4.503	0	10	BJAE	
CC(C)C1(C[C@@H](N)[C@H]2CCCCC23CC3)CCC1	2071949902	MDZPHJUYUKOYBP-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@@H]2CC23CCCC3)CC1	2072801815	RCBYKCHWFBPQEC-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@]12CCCC[C@H]1C2	2074028512	HUKXOALAWUPVFN-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC[C@@H]3CCCC[C@H]32)C1	2074891161	FILXRPZSONQAKQ-LTIDMASMSA-N	249.442	4.610	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@@H]1C1CCC1)C1CCCC1	2079328613	MULPSJYXCSVJJW-DZGCQCFKSA-N	248.410	4.598	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1C[C@@H]1C[C@@H]1C1CCCCCC1	2079662353	UWWPFEKGBFWXFR-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCCC1	2079840565	CVNZCQRLYBXFPE-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@](O)(CC)c1cccc(C(C)(C)C)c1	2083543688	JYYDHJZBFGPSJF-QGZVFWFLSA-N	248.410	4.772	0	10	BJAE	
CCCCc1ccc(NC[C@@H](F)C2CCC2)cc1	2083780281	KIKFFXVHHPZSNQ-MRXNPFEDSA-N	249.373	4.579	0	10	BJAE	
CCCC(CCC)NC1CCC(C2CC2)CC1	2213687598	JRCLDXHIXWUARP-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](O)CCCCC1CC1	2214564088	ULQNWIXTPADPIX-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@@H]1C)C(CC)(CC)CC	2215264181	BSQKVTSTMUTMKG-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCNC[C@@]1(C)CC=C(C)CC1	2215820130	AYJLODDQZYFTHW-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)C(C)(C)CCC	2216286120	ROMLNWRGSNEULX-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CC(C)(C)CC)C(C)C	2217127014	GKSPOYDDPROKBS-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)[C@@]1(CN[C@@H](C)CC)CCC1(C)C	2217157520	TWFZJNCNPUGNBG-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218351701	QROKKJNORZGYAY-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCNC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218370352	GCMCGTLRIYOKGC-FVQHAEBGSA-N	249.442	4.539	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)C[C@@H]2CCC[C@@H]2C1	2218728225	VDMJYATUXDHMIK-BJWYYQGGSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@H]1C(=O)c1ccc(C2CCCC2)cc1	2220540771	OIBPXGXIJHJLIF-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
CCCCc1ccc(NCCC2CC(F)C2)cc1	2220646070	KCZYAKHITWGVOY-UHFFFAOYSA-N	249.373	4.579	0	10	BJAE	
CCN(CC1(C)CC(C)(C)C1)c1ccccc1C	2221091274	VKJOHMNWHJUCTL-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H](C)[C@H]2CCC2(C)C)CC1	2221639435	BMYPHHPPLYIPNC-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1	2222950490	XLJPRIGCCCAWAA-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@H]1C[C@@H]2C[C@@H]2C1	2223130168	JXKNVJTVNICONR-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)c1ccc2occc2c1	2224134445	IKWXJVAIYHMLOF-NHYWBVRUSA-N	246.350	4.539	0	10	BJAE	
CC[C@@H](CC(=O)CC1(C)CC(C)C1)C(C)(C)C	2246555889	GYJMRQMYMLEMOB-UYJPIKCFSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)CCCC2CC2)C1	2246695078	OCSVAIAUWMWOPY-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC(O)(CC1=CCCCC1)CC(C)C	2247517517	GXIQGBMSCDOYGN-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC[C@H]1CCCC12CC2	2247619976	QZPNESZHNRXWAX-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1=CCCCC1)NCC	2250356951	GUYKOICQKPGRRU-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1(N)CCCCC1	2250474658	HXANZFMEMKEBCC-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@]12CCC[C@H]1CC2	2251211310	KMCPUHRNZKTMDI-ARFHVFGLSA-N	238.415	4.678	0	10	BJAE	
CCC1CC([C@H](N)CC[C@@H]2CCCCC23CC3)C1	2253785232	SLISVAOEDUBMGO-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C[C@@H]1CCC12CCC2	2255021955	BRIVEXPFAOXUIG-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CCC12CCC2)C1CCCCC1	2255024330	MOSXCWMRBOWSJH-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@@H]1CC1=CCCCC1	2255136089	GBOQHHJBZOOOIC-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
O[C@H](C[C@@H]1CCCC12CC2)C1=CCCCCCC1	2255326309	DFLSIXWIZDVPMV-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(NCCCCC[C@H]2C[C@@H]2C)c1F	2257342696	UUYQPTQFRRRKFS-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
Cc1cc(NC[C@H]2C=CCCCC2)cc(C)c1C	2258234433	BZUPEMMZHWSMNP-INIZCTEOSA-N	243.394	4.770	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2260644924	DVOQNWKDTJOYKS-AIANPOQGSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@]12CCCC[C@H]1CC2)C1(C)CCC1	2260675920	ZSUNJOBUFGZAHS-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](N)[C@H]1CC1=CCCCC1	2261445080	MONABSUGSGDVSY-HUUCEWRRSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CC[C@@H](C(C)C)C1	2300689599	ZTPILJGZXQGAOL-HZPDHXFCSA-N	239.447	4.569	0	10	BJAE	
CCC(C)=CC[C@H](NC)C1(C)CCCCCC1	2300870816	YNAORLUPCIVVEH-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@@H](CC=C(C)CC)C1	2300897933	YVFLQOWNYWJWTK-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@](C)(O)C1CCC(C)(C)CC1	2300899174	LRYJWMDSORQWTG-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCCC1CCC([C@H](N)CC=C(C)CC)CC1	2300902514	VJWDAWQDRNAZPZ-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
CCC[C@](O)(CC)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301135204	HVYGOYRRWHKISG-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)CC1CCCCCC1	2301144269	BWNSNLSNLRBQEW-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](O)CCC[C@@H]1C[C@H]2CCC[C@H]1CC2	2301238333	GCQOCPXVDXRDIZ-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C1(O)CCCCCCCC1	2301858618	ILGJFBUWYCCDTQ-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CCCC(C)(C)C2=O)C1	2302879042	WLISODKSPOYBDL-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CC(=O)C[C@H](C)C2)CC1	2303600681	LELIBAIOSUIFKD-KCPJHIHWSA-N	234.383	4.518	0	10	BJAE	
CN(CC[C@H]1CCC(C)(C)C1)CCC(C)(C)C	2304437575	YOTMBGJQXAOZMB-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccc(F)c(C)c1	2307749399	JXLSCJCXXDZBBB-GFCCVEGCSA-N	236.330	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC(C)(C)CC[C@H]1CN	2307909697	LEIJJKXXWIZMDM-SOUVJXGZSA-N	239.447	4.604	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309168884	ZFQRNWWOUDYQRF-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309184967	OXHIJYWSOCLHJH-ZOFXXKQRSA-N	249.442	4.514	0	10	BJAE	
CCOc1ccc(N[C@@H](C)CCCC(C)C)cc1	2313563912	JONKWZZKMANJCC-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)CC(C)(C)CC2(CC2)C1	2313658765	CLVCEFSCLQKLBD-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H]1C[C@H]2CCC[C@H]1CC2	2316883269	GYAAKSABWDFLFW-NNXHMXCWSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](N)(c1ccccc1)[C@H](C)[C@H](C)C(C)C	2317911509	KNBFPIRNIXPZKS-BFYDXBDKSA-N	247.426	4.569	0	10	BJAE	
Cc1ccc2c(C)c(C(=O)[C@H](C)C(C)C)oc2c1	2317940783	XIFWYYNGEFXELC-LLVKDONJSA-N	244.334	4.524	0	10	BJAE	
C[C@]12CCCC[C@H]1CN2CCCC1=CCCCC1	2318591691	AYLLHPBJDFPLTM-IRXDYDNUSA-N	247.426	4.532	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CCCC2=CCCCC2)[C@@H]1C	2318595526	QKWPNYSAUCCHCM-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C[C@H]1C=CCC1	2318872028	KLYYIEXWGFFAQN-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(N)CCCC3(CCC3)C2)C1	2319312884	NWVVROIRORMSBQ-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCCC1(NCC[C@@H]2CC[C@H]2C2CC2)CCCC1	2319726837	MNVIQIYVSVLCOH-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@]12CCCC[C@H]1C2	2320324870	NTMGVPAIMVUNRG-ZJOBFFGXSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)c2ccc(F)cc2)CC1	2320396282	CKUWFNBZXUPARX-CYBMUJFWSA-N	246.325	4.535	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H](C(C)C)C2CCC2)CC1	2320412511	OJZHQBSRYOVVKB-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@](C)(O)Cc1cccc(C(C)C)c1	2320631217	RUWWUGBMVJSIDN-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
CCc1cc(F)cc(NC[C@@H]2C=CCCCC2)c1	2321073570	BRMNLYAGPGEHSL-CQSZACIVSA-N	247.357	4.546	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CC[C@@H]2CCC(C)(C)C2)C1	2321610525	IEPYHWMCFCWAQM-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
Cc1cc([C@@H](N)CC[C@@H]2CCC(C)(C)C2)oc1C	2321646338	WLDPATMOPYLLPO-KGLIPLIRSA-N	249.398	4.503	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C[C@@H](C)c1ccccc1	2328193295	LGEPDWORTZKUSV-HLLBOEOZSA-N	248.410	4.758	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccc(F)cc1Cl	20594827	RODHMHNROKVFEM-SNVBAGLBSA-N	243.753	4.716	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1	21816865	IXIKOEKEXXVTGE-UKRRQHHQSA-N	245.410	4.930	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)CCC(C)C)s1	22149487	QYBQTGLJPDAJRU-WCQYABFASA-N	239.428	4.532	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1ccc(C(C)(C)C)cc1	35493519	INNZWPAPOWPJJG-CZUORRHYSA-N	247.426	4.681	0	10	BJAE	
CCN[C@@H](c1c(C)cc(C)cc1C)C(CC)CC	35547969	LYBGTXBLPDUXHH-QGZVFWFLSA-N	247.426	4.699	0	10	BJAE	
CCCCC[C@@H](NCCC)c1ccc(C)cc1C	35579505	YCYQXEZXHVIZEW-QGZVFWFLSA-N	247.426	4.924	0	10	BJAE	
CCCCC[C@H](C)Nc1cnc2ccccc2c1	36989785	WWRKAHRKDNNESH-ZDUSSCGKSA-N	242.366	4.616	0	10	BJAE	
CCCC[C@@H](NC(CC)CC)c1ccccc1	37186987	HYQOEFMCMFDGEE-MRXNPFEDSA-N	233.399	4.696	0	10	BJAE	
CCCc1cc(Cl)c2cc(C(C)C)ccc2n1	37413061	FHCMWNKAKOWYTI-UHFFFAOYSA-N	247.769	4.964	0	10	BJAE	
CCCCCCNc1c(C)cccc1CC	41578666	BGOFPOQUJYYRGG-UHFFFAOYSA-N	219.372	4.550	0	10	BJAE	
CC1([C@H](N)c2ccc(C3CCCCC3)cc2)CC1	71558068	CWIGUYKBMAVOGM-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2ccccc2Cl)C[C@@H]1C	82835913	RTQURESBDDXKOK-SDDRHHMPSA-N	237.774	4.577	0	10	BJAE	
CCC1CCC(CC[C@@H](N)c2ccccc2)CC1	85082810	XJQCJMOCRSXOCA-VMBOVVBDSA-N	245.410	4.683	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CCC[C@@H](C)C2)cc1C	86494058	KYXRANITVUBNJL-IAQYHMDHSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CCCC[C@@H]1Nc1ccccc1Cl	86842539	VOCWBKCZYVTNFU-ZDUSSCGKSA-N	237.774	4.721	0	10	BJAE	
Cc1ccc([C@H](CCC(C)C)CNC(C)C)cc1	93138947	MFXBUCNXONHHDV-QGZVFWFLSA-N	247.426	4.513	0	10	BJAE	
CCCCCC[C@H](N)c1c(C)c(C)cc(C)c1C	97467978	ODEHSIZVNXLXEH-INIZCTEOSA-N	247.426	4.890	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)c1ccc(C)cc1	103937640	PQARGXXNFPIGJN-NVXWUHKLSA-N	248.410	4.809	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)Cc1cccc(C)c1	109713399	TULYMLIYGBHFIY-WBVHZDCISA-N	248.410	4.505	0	10	BJAE	
CCC[C@@H](CC)N[C@H](c1ccccc1)C(C)C	109944233	KTRYVKXVHZBJKN-CVEARBPZSA-N	233.399	4.552	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)(C)C)c1ccc(C)c(C)c1	111647493	VZTLJBNBZCYTGW-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
CCCC(CCC)[C@H](O)C1CCCCCC1	124206908	HVVQLKVTUMIEMO-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@H](NC)c1cc(C)sc1C	133705518	UBPHVUIZPBYMOX-AWEZNQCLSA-N	239.428	4.596	0	10	BJAE	
C=CCc1c(C(C)C)cccc1C(C)C	146402518	OZYZFXYGSGBGBA-UHFFFAOYSA-N	202.341	4.662	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](CC1=CCCCC1)NC	161301557	RSEBZPBDJIDKQR-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@H]2CC[C@H](C)C2)c1	165549005	ROTSUMCLVLUNPJ-BBRMVZONSA-N	244.378	4.504	0	10	BJAE	
CCC(CC)C[C@@H](O)c1c(C)oc2ccccc12	167671623	WRHAAVLWRNOXAG-CQSZACIVSA-N	246.350	4.601	0	10	BJAE	
C[C@@H](C[C@@H](N)C1=CCCCCC1)CC(C)(C)C	203419719	QKPHUEJMHFSZIX-DZGCQCFKSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)[C@H](N)[C@H](c1ccccc1)[C@@H](C)CC	228691597	PQRPCJNVDKYSHO-JQFCIGGWSA-N	247.426	4.580	0	10	BJAE	
CCCCCC[C@H]1C[C@H](C)Nc2ccccc21	232970839	VCUCPYPIBAGLOS-KBPBESRZSA-N	231.383	4.945	0	10	BJAE	
CCC[C@@H]1C[C@H]1N[C@@H](C)c1ccc(C(C)C)cc1	233309360	OREUYHVBHJVJAO-IAOVAPTHSA-N	245.410	4.649	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCC[C@H]1CNC(C)(C)C	251379760	VUVSYXUEVJWVPT-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H](C)C2CCC2)CC1	252982052	UORFTWCFUYTUQI-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1C1CCC(=O)CC1	259184677	JZTSGXOLSJRQRL-UHFFFAOYSA-N	244.378	4.519	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](N)CCCC(C)(C)C	302358163	XJTGHNGCMCOEPO-CVEARBPZSA-N	247.426	4.724	0	10	BJAE	
CCCOc1ccccc1NC[C@@H](C)CC(C)C	302434487	VTOBTSAVQFNEMQ-AWEZNQCLSA-N	249.398	4.570	0	10	BJAE	
Clc1ccc2ccn([C@@H]3C=CCCC3)c2c1	303730698	DMHKNUBYDJCMCL-CYBMUJFWSA-N	231.726	4.576	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](C)CCC(C)(C)C	304338967	FFKHROPPWNNEJV-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
Clc1cc2scc(Cl)c2cc1Cl	306663139	VCCYYKPIYCEOQT-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1cc(C)cc(C)c1	308056960	QFKMOUNLWIQOFF-HNNXBMFYSA-N	246.394	4.949	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCCC[C@H](N)C2)CC1	310124097	ITPKIDDJSZTLQA-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@@H](C[C@@H](C)CC(C)C)NCC)CC1	310265556	HFQLHMFQZACJDF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1cc(C)cc(C)c1)C1(CC)CC1	310828909	YNGRANFICJEIJC-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H](C)[C@@H](C)CC	319652109	RPGZKHFEWJZQCU-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C(C)(C)C1CCC1	322363888	IDSSKWZGFVFTAZ-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C(C)(C)C1CCC1	322599375	MKKYQUCKKMTRLM-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)CC1(CC)CCC1	379762834	FUNSYBGRRWQSEV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](N)C[C@@H](C)CC(C)C	380564218	WYLWYQXNQPJWKB-UAGQMJEPSA-N	247.426	4.580	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C[C@@H]2CCC[C@H](C)C2)c1	381013646	MSZYCODVAHUYTM-XGWLTEMNSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CC2CCC1CC2	382186049	YIGQLHAERMPLFL-CKUJCDMFSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C[C@]1(O)CCCCC1(C)C)c1ccccc1	384340805	XLFWLJATTNKVID-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1ccc2sccc2c1	386357373	VOJLIISBQFGXPF-NHYWBVRUSA-N	247.407	4.598	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1ccccc1C(C)C	393857324	VUCHHKACCDZZJC-BBRMVZONSA-N	233.399	4.507	0	10	BJAE	
CCOc1sc2c(C(F)F)cccc2c1C	396242585	MWKLMRAQLQPWGM-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1cc2ccsc2c(S)c1C(F)F	396256180	VCIYKQGODIFOJL-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
COc1ccc2cc(C(F)F)sc2c1Cl	396288009	FYRYIXQRMXLSFB-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1ccc(C(F)(F)F)c2c(F)csc12	396292886	FWXYYGRVIRDJTE-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1ccc(C(F)(F)F)c2c(C)csc12	396295087	CJRINBMYGLJTCH-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)CC1=CCCC1	401126234	QDVLNBSQDMTCOJ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)c1ccc(C)cc1C	686311531	XUMCGTOQGJPFQE-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)C1CCCC1	688356407	NCZKPNHYVSJNFL-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@H]1CC[C@H](CC)C1	692061831	RVHKCTYIKDPUPV-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CCC[C@H](C(C)C)C1	695102207	YYDMKXFNKVKWGU-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC2(CC2)C1)[C@@H]1CC1(C)C	695724171	ONTOKKAYKOMMMC-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)c1ccc(C)cc1C	696248688	KTFHDAIDWISVDR-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCCCCC[C@H](CCC(C)(C)CC)NC	696642776	ARLIHSJFBRIFQO-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1ccc(F)cc1C	697771543	LNRAOPHTNVNLLZ-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@]1(C)CC[C@H](C)C1(C)C	697825655	HGBZRPOKYLTCOE-OFQRWUPVSA-N	237.431	4.523	0	10	BJAE	
CCC[C@](N)(CCCCCC(C)C)C1CC1	705374570	DRBZQAUBUBULOT-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H]1CCCC12CC2)C1CCCCC1	706286861	UPPAYFHSDHURRR-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CCNC[C@H](C[C@H](C)CC(C)(C)C)C(C)(C)C	709126233	PEBXDYDEWHRQET-KBPBESRZSA-N	241.463	4.721	0	10	BJAE	
Cc1csc([C@@H](O)C[C@@H](C)CC(C)(C)C)c1	709169691	UZNQHVILMPZMEZ-PWSUYJOCSA-N	240.412	4.552	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@@H](C)CC(C)C	709177981	PKSYTSOHQPANMR-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)C(C)(C)c1ccccc1)C(C)(C)C	711252748	YRPWNZYOUCBINE-ZDUSSCGKSA-N	246.394	4.606	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)CC(C)(C)C	713133629	MRJJJLJURPLQFF-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C=C/C=C\CCC[C@@H]1CC2CCC1CC2	713676276	YIUREMUUMWUIEE-RWRSXTBPSA-N	204.357	4.725	0	10	BJAE	
C=C/C=C\CC[C@@H]1CCCCC[C@H]1CNCCC	713711007	QFHJGHOQJPQEFH-DJAVDHGHSA-N	249.442	4.705	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CCC(C)=C(C)C	718505367	HCQWZVYDCMJQTC-GJZGRUSLSA-N	225.420	4.523	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CC[C@@H](C)C1	718650391	HKXORFACQXHSCP-FVQBIDKESA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@]1(CNCCC)CCC=CCCC1	719017624	IOYMLCTYOJNFLU-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CCC[C@@H](C)[C@@](N)(CC)CC1CCCCC1	720360449	UBYGJFUGHMIGCI-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(CS[C@H](C)C(C)C)c(Cl)c1	1640954517	BLBRARDUYNATHF-LLVKDONJSA-N	242.815	4.926	0	10	BJAE	
CCCNCCC=C(C)[C@@H]1CCC[C@H](CC)C1	1876996407	FCFDJCWQBPAEBD-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@]12CCCC[C@@H]1C2	1909890328	BDZMMJGRXFCELY-OWCLPIDISA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1C[C@H]1C1CCCCCC1	1910673518	RBIXWZLHDUTWEU-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCCCc1ccc(Cl)c(F)c1	1911784643	UMAABMIMXIHCPH-UHFFFAOYSA-N	224.706	4.544	0	10	BJAE	
CCCC=CCN[C@H](C)c1c(C)cc(C)cc1C	1914683076	YDYJTLPEPRCTAT-MRXNPFEDSA-N	245.410	4.619	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	1917416591	RTNAXGXXYJGYBQ-HHARLNAUSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](O)(CC)CC1CCC(C)(C)CC1	1919540600	ZGUCOMBVWFOSJH-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)CC[C@](O)(c1ccccc1)C(C)C	1919924071	CQULSVPZLMNVGK-QGZVFWFLSA-N	248.410	4.747	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)c1ccccc1C(C)C	1920200227	YLHNKKXWIKYUES-RHSMWYFYSA-N	247.426	4.810	0	10	BJAE	
CCCC1CC(CN[C@@H](CC)C[C@@H](C)CC)C1	1921225846	VJVBVZAPRKTYMQ-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@H](C)C2CCCC2)cc1	1923893120	NCNORWPXLJKYQF-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
C[C@@H](C(=O)c1ccccc1C1CC1)C1CCCC1	1924135188	IRCXPWVGXHCHNZ-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CCCC[C@@H](CCC)NCCC(CC)CC	1926114201	GKXMVJIEUAESIG-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1ccsc1Cl	1927981177	WYFRWCZVUGMROI-GXSJLCMTSA-N	246.803	4.507	0	10	BJAE	
CC[C@H](CC[C@H]1C=CCC1)CC(F)(F)F	1932591953	FBHJJLDMIRXBLJ-MNOVXSKESA-N	220.278	4.711	0	10	BJAE	
Cc1cc(N[C@H](C)[C@@H](C)CC(C)C)cs1	1933232812	GZBZLUJFDXHPKK-CMPLNLGQSA-N	225.401	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CC[C@H]2CC2(C)C)C1	1940853889	SEUMXRYBIBFGJA-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CCCC2(C)CC2)C1	1940884706	ZHNYSBPWSJYCRO-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(O)CCC12CCCCC2	1942657048	NIVRLWHWRJDQIE-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)C	1944203813	OTUBRWOVLKIRQJ-CBBWQLFWSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC(C)C)CCCC1(C)C	1944477824	LWQANFORCHESSB-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]([C@@H](C)CCC(C)C)C(C)(C)C(C)C	1944668309	MCCGENYUTWOKAT-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)CC1CCCCCC1	1944791444	UQJOEPPBPKJEJK-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H]1C)[C@@H](C)CCC	1944818037	CKIDPAIDANNHTE-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC1(CCNCCCC2CCC2)CCCCC1	1945432173	KTDBBHGHXIGWTO-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
Clc1ccc(NC2CC(C3CCCC3)C2)cc1	1945959343	RFIGSPNKYNNKTN-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)CCC(C)(C)C1CC1	1949033843	NLLVCGFFRXDIKL-CJNGLKHVSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)[C@H](N)[C@@H]1CCC2(CCCC2)C1	1949536355	ZOFAYMOJLGWTCE-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)[C@H]1CCC[C@@H](C)CC1	1950931429	WYHPXALISQLVEA-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)NCc1ccc(C2CC2)cc1	1963217682	BRCIBSBNBNGILH-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
Cc1ccc(NC2CCC3(CCC3)CC2)cc1F	1968319354	WNRYOILCQXYSRV-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
C[C@H]1C[C@H]1c1csc(-c2ccc(Cl)cc2)n1	1968396509	MONIWDHKXQDPLX-GZMMTYOYSA-N	249.766	4.587	0	10	BJAE	
CC[C@H](Nc1cc(C(C)C)ccc1C)[C@@H]1C[C@H]1C	1968603049	VMBLWHKXJZOFNV-BMFZPTHFSA-N	245.410	4.965	0	10	BJAE	
CC(C)C(N[C@@H]1C[C@H](C)c2ccccc21)C(C)C	1968603911	IOYRAZVSUVQRIU-XJKSGUPXSA-N	245.410	4.505	0	10	BJAE	
CC[C@@H](N[C@@H]1CC[C@@H](C)C[C@H]1C)c1ccccc1	1969296514	KYKCOLWWHLYKFR-MUIFIZLQSA-N	245.410	4.552	0	10	BJAE	
C[C@@H](CC(C)(C)C)NC[C@H]1CCCCC1(C)C	1970082772	SVOPUTHIYXZBSY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)C(C)(C)CCC	1976010082	HBZIJPLURHHSIF-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC=CCCCC[C@H](O)c1ccc(Cl)cc1	1984604730	BHHYLFVWYLLLJH-AWEZNQCLSA-N	238.758	4.510	0	10	BJAE	
CC=CCCC[C@@H](CC(C)(C)CC)NCC	1984635381	OTPCBAKJVWCUFM-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC(C)=C(C)C)C1	1989652080	QPLJWQOOKQRVLY-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCCC1(C[C@@](O)(CC)CCC(C)C)CC1	1990617483	DDQSETYBUSSZAW-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](O)CCC[C@@H]1CCCC(C)(C)C1	1994032809	CCBURFPJODCEHF-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CCC(C)C)NC	1995258428	DNRDSNKWFWEOOR-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CCCC1CC1	1995259877	QMGQXQAKTMYJOC-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)[C@H]2CCC[C@@H](C)CC2)C1	1996235184	JILNAFDMMCWQRS-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](N)(CCC1CC1)C1CCC(C)(C)CC1	1996594196	KEJRFDGWEFUJSM-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](CC[C@H]1CC1(C)C)NCC	1996602015	BINYWCAWEDOITR-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC)[C@@H]1CCCC2(CCCCC2)C1	1996647916	SYCCRFUKPATRQL-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)CC1(O)CC(C)(C)C(C)(C)C1	1997809866	REPSGBNSXDOZKE-ZDUSSCGKSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](CC[C@H]1CCC=CCCC1)CC(C)C	1999996482	PCZJAFMBLGZTEQ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(CCC1=CCCCC1)CNC	2000509096	LIEBGSUXVUDBKH-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CC(C)CNCCCC[C@H]1CCCC(C)(C)C1	2002995065	ZJOLEJOXHSJAKT-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC)C1CCCCCCCC1	2003094346	DISLUNAEJRIAEW-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)CC[C@@H]1CC=C(C)C	2004226481	HXGFJNCUYOYUCK-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H]2CCC(C)(C)CCC2=O)C1	2009405245	WSMNKVLLDMIWRK-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCCC[C@H]1C(C)(C)C	2009574733	VBPTZICGGWDDGC-HMRWBYCRSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCCCc1ccc2c(c1)CCCC2	2009596061	MVAZKIBKVJWPOQ-NSCUHMNNSA-N	228.379	4.854	0	10	BJAE	
CCCCCC1CC(NCC(C)(C)CCC)C1	2009714701	UBXQVAZXQKNRCO-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCCC1CC(N(C)C2CCCCCC2)C1	2009780360	WXBTYIJEEXSAOJ-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H](C)C(C)(C)C)C1	2009792301	XHIUGKHDGGWXRL-VQCLRJIVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)C1=CCC(C)(C)CC1	2010727710	YWWGJTQVZAHWSZ-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCC[C@@H](C)CC1	2013264622	OJQYHGIBRBBGPJ-BZUAXINKSA-N	239.447	4.760	0	10	BJAE	
Cc1c(C(=O)CC2(C)CC2)sc2ccccc12	2014304415	RSOZEJWMHALPLH-UHFFFAOYSA-N	244.359	4.583	0	10	BJAE	
Cc1cc(C)c2cc(C3(C)CCCC3)[nH]c2c1	2014328148	FLGDGAMUSUDOTQ-UHFFFAOYSA-N	227.351	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1cc(C)c(C)o1	2015324072	XJBDLKFAJILPNW-KBPBESRZSA-N	237.387	4.503	0	10	BJAE	
CCC[C@@H](C)[C@H](CCC(C(C)C)C(C)C)NC	2015342882	ABPORGAGHKQELE-ZBFHGGJFSA-N	241.463	4.719	0	10	BJAE	
CC(C)N[C@@H](C)[C@H](C)CCC(C(C)C)C(C)C	2015360789	LXAOLQGLJQQENP-CABCVRRESA-N	241.463	4.717	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CC(C(C)C)C(C)C	2015393851	IEZNHJCDSKNIEY-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)CC1(C(C)(C)C)CCC1	2017123771	CVQWCBDGYWSMFD-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC1([C@](C)(O)C[C@H]2CC[C@H](C)CC2)CCCC1	2017649614	XVDIUQAVIFHNPZ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C(C)=CCC[C@H]2C)CC1	2018938578	QLIYKRAOLHVOMT-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1(CCC)CC1)NC	2019000238	PGDQYYLZCCRIGW-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCN(C)C[C@H]1CCC[C@@H]1C	2019340558	PGLLWTYMCMOPDO-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H]1CCCN([C@H](C)CCC(C)C)CC1	2019406082	BXFWGDALGSMRSK-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CC=CCCC[C@H]1CCCC(C)(C)[C@H]1NCC	2020364500	RABSEFRNDBEEDW-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCN(C[C@H](C)CC(C)C)C1CCCCCC1	2020501474	LTCZFYKXTQHIBK-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](O)CCC1CCCCC1	2022450110	CTBNZIOQSVMOTH-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CCCC(C)(C)C2)CC1=O	2024091435	IOAMDZQFQPCNRJ-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2CCCC(C)(C)C2)CC1	2024093172	ZBTPXDLLXQASTR-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2CCCC(C)(C)C2)C1	2024095013	OHSQYXDOXVCOKD-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](N)[C@@H](C)CC1CC(C)(C)CC(C)(C)C1	2024100640	DSSFPKFBRQDABS-JSGCOSHPSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)C[C@@H]1CCCC(C)(C)C1	2024126761	ZBVRJMMZGKHRQD-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H]1CC[C@H](NC2CCCCCCC2)C1	2025572966	IUMMIDXBZPCVSX-HOCLYGCPSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CCC=C(C)C)NC	2026165771	FASZHGVIGRBMTR-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
Cc1ccc([C@H](O)[C@@H](CC(C)C)C(C)C)cc1C	2028241190	OYPAIJARAWHXEX-IRXDYDNUSA-N	248.410	4.655	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@H](CC(C)C)C(C)C)c1	2028255915	USGXTLDXKCHUTA-MRXNPFEDSA-N	246.394	4.804	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1CC[C@@H]2C[C@H]2CC1	2028965035	PDGYEEFHULEUGI-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1[C@H]2CCCC[C@H]12)C1CCCCCCC1	2032819911	BWYKJNPCMLTIAW-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CNC1(C2CCCC2)CCC1	2033055895	VZTXMLUVIHKFNM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2C=CCCC2)CC1	2035561278	KXWZFUBZUJSLOE-HWOWSKLDSA-N	248.410	4.908	0	10	BJAE	
CCC/C=C/CNc1ccc2c(c1)CCCCC2	2036765961	HEINQZSQNIIKFQ-XBXARRHUSA-N	243.394	4.724	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@](C)(N)[C@]12CCCC[C@H]1C2	2037177887	HECNHWOCGLPILD-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(CC2CCC=CCC2)CCCC12CCCC2	2037207810	HYKBVGVQJQMEER-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
O[C@@H](CC1=CCCCC1)[C@@H]1CCC2(CCCC2)C1	2037571078	JIONXUREAKXAKE-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)[C@H]1CCC2(CCCC2)C1	2037583198	NKBXNAQMWLMAOB-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
Cc1ccccc1C(=O)[C@@H]1CCC2(CCCC2)C1	2037672890	QSRBFMYMEYNCQA-CQSZACIVSA-N	242.362	4.538	0	10	BJAE	
CC1(C)CC[C@H](n2ccnc2C2CCCCC2)C1	2037679087	OZMVZFHDOMPJPL-AWEZNQCLSA-N	246.398	4.682	0	10	BJAE	
CCN[C@H](CC1=CCCCCC1)CC1CCCC1	2038112899	RRSGTRDTCMCHHG-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CC(C=C2CCC[C@@H](CCN)C2)C[C@H](C)C1	2038876823	PHQYTYZFCABEDE-KFWWJZLASA-N	249.442	4.524	0	10	BJAE	
CCC[C@@H](N[C@@H]1C=CCCCC1)c1ccccc1	2039031787	HXFMRJOJYNNBBY-IAGOWNOFSA-N	243.394	4.616	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H]1CC12CCCCC2	2039078884	MCNSBJTZDQQZFP-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](c1ccoc1)[C@@H]1CCCC(C)(C)CC1	2039380304	HNDRGEZVSLFKRB-HIFRSBDPSA-N	249.398	4.537	0	10	BJAE	
C=CC=CCC[C@@H](NC)[C@@H]1CCCC(C)(C)CC1	2039384800	MEVOWTVXXCHYPW-HZPDHXFCSA-N	249.442	4.703	0	10	BJAE	
CC1CCC(C[C@]2(N)CCCC3(CCC3)C2)CC1	2041288794	CNHFQAMWFXHAKN-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](CC2=CCCC2)NC)CC1	2041374962	FBTGNWFODHFEAT-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2042344857	LEXZMNXTDFIWKG-MWDXBVQZSA-N	249.442	4.536	0	10	BJAE	
C[C@H]1CC[C@@H](N[C@H](C)CC2=CCCCC2)C[C@H]1C	2043195147	RRGLOBIWFXFEPE-KLZNWCGWSA-N	249.442	4.680	0	10	BJAE	
OC1(C[C@H]2CC=CCC2)CC2(CCCCCC2)C1	2046230583	UOEKJISJICEAKW-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C2(N)CC3(CCCCCC3)C2)C1	2046233406	NKSHORIUVZHDIA-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)C[C@H]1CC12CCCCC2	2047057522	BHYNSCSPPOHMSB-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@@H]1CCC12CCC2	2047930353	AEKFMSODEQGKBC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@H]1CCC12CCC2	2047965054	LXUIWAATEDOFJW-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2[C@@H]3CCCCC[C@@H]23)C1	2048366805	UBRGHZBYGMZPRN-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@H]1[C@H]2CCCC[C@H]21	2048440181	VCLPVGWMGYIJRM-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCC1	2048443660	RLZNSIACTUXTJF-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2CCC3(CC3)C2)CC1	2049849487	QSQVNSOYOYAQNU-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
Cc1ccccc1[C@@H](O)CCCC(C)(C)C1CC1	2050440173	FNUSMGDMOIYCPJ-INIZCTEOSA-N	246.394	4.635	0	10	BJAE	
CC1([C@](C)(N)CC2CC(C3CC3)C2)CCCCC1	2056649555	YKSNXVGXHLZUMV-PUJMQQBBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CC2CC(C3CCC3)C2)C1	2056666084	MFPJMOVYWSWLFS-HNFVBEJKSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CCC[C@@H]2C[C@H]12	2057352195	AQUFUVMOPWKOKC-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCC1([C@H](N)C2=CC[C@@H](C(C)C)CC2)CCCC1	2061151997	XCDCKMBOFUSYLF-GDBMZVCRSA-N	249.442	4.667	0	10	BJAE	
CC(C)C1(CN[C@@H]2CCCCCC23CC3)CCC1	2062019361	IMGOIHSRCFPAJR-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC1(NCC2C[C@@H]3CCC[C@H]3C2)CCCCC1	2063476255	HDQBFXOPDMJJRL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC12CC(NC1CCCCCCCC1)C2	2064113787	PDBXNEMUANKQFM-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
C1CCCCN(CC2CC(=C3CC3)C2)CCCC1	2065849984	FFIZVPMHKXWXSY-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2CCC=CCCC2)CCCC1	2067501713	AERBYGNLQXLDKW-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
C[C@@H](Nc1ccc(CCF)cc1)C1(C)CCCC1	2067530691	SGTNOVZEISKHAE-CYBMUJFWSA-N	249.373	4.579	0	10	BJAE	
Cc1oc2ccccc2c1C(=O)C[C@@H](C)C(C)C	2068978500	SFYVVVBRIYKMLV-LLVKDONJSA-N	244.334	4.606	0	10	BJAE	
Cc1cccc(-c2cc(N)ccc2C(C)(C)C)c1	2069391628	ZZIXZTGXGNRXAV-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@@]23CCC[C@H]2C3)CCCC1	2070861224	JMRCNHXPMALBBQ-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1(C(C)C)CCC1)[C@@]1(C)C=CCC1	2071945178	DHLBPSWOFRUXLT-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CC[C@@H]1C[C@@H]1C	2072090544	JKZZLASXWKCCDJ-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)cc(N(C)C[C@H]2CC[C@H](C)CC2)c1	2075294366	SGRATJDYXRBYSO-SAZUREKKSA-N	245.410	4.566	0	10	BJAE	
CN([C@H]1CCC12CCCCC2)[C@H]1C=CCCCC1	2075408557	QXNSUOIAFHMAQQ-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
CC=C(CC)C[C@@H](NCCC)c1cccc(C)c1	2077197860	VROIEVRUEHPHHQ-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CC(C)C1CC(CNc2ccccc2C2CC2)C1	2077265071	IVZHCPWEHBBJGG-UHFFFAOYSA-N	243.394	4.658	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](CC1CCC=CCC1)NCC	2079435480	OEDNYYCJDLGWCP-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1C[C@@H]1C1CCCCCC1	2079526496	DIKHFSPQLWZCTH-BRWVUGGUSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@](N)(C[C@H]2C[C@H]2C2CCCCC2)C1	2079832999	QENFYKRRZLNMJN-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1C[C@H]1c1ccccc1	2079844362	VCEZOMQHXVONPW-BPUTZDHNSA-N	244.378	4.576	0	10	BJAE	
O=C(CC1CCCC1)C[C@@H]1C[C@H]1C1CCCCC1	2079851555	LVMFJEBAVZRVFU-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CCC(N)(CC)CCCCCCCC1CC1	2212448740	RBYVLSIWWDBZCV-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
CCc1cc(Cl)ccc1NCCC1(C)CC1	2212652973	VENRDNZIEYBZCY-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CC1([C@H](N)CCCCCCC2CC2)CCCC1	2213580100	WYOPFIQNVBWRKV-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
Cc1csc([C@@H](N)C2=CCCCCCC2)c1C	2213640183	FZAQVHTTZLWZQN-AWEZNQCLSA-N	249.423	4.645	0	10	BJAE	
Cc1csc(C(=O)CC2CCC=CCC2)c1C	2213655964	FJYCHDQKKQZCGQ-UHFFFAOYSA-N	248.391	4.684	0	10	BJAE	
C[C@H](CC1(C)CC(C)(C)C1)c1ccc(N)cc1	2215394654	IHLIDWXTWLJGRS-GFCCVEGCSA-N	231.383	4.589	0	10	BJAE	
CC1=CC[C@](CN)(C[C@@H](C)CC(C)(C)C)CC1	2215832164	BHVNZEHVYNSYCV-GOEBONIOSA-N	237.431	4.524	0	10	BJAE	
C[C@H]1CC[C@H](CCCCCCCC2CC2)NC1	2216879634	LOEGECZLRZXQTI-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C1C[C@H]2CCC[C@H](C1)C2	2218333648	RQCAEPZVPPNQAE-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
OC1(C2=CCCCCCC2)CCC(C2CC2)CC1	2218893447	ZPMSOLJROZADJX-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C2(N)CCC(C3CC3)CC2)C1	2218895602	XJPNSRNKJIQPAY-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)[C@H]1C=CCCC1	2220048223	ZLEUBXRISOWQJY-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCN(CC(C)C)c1ccccc1	2220986000	PGXIIODIPVBXQK-CVEARBPZSA-N	245.410	4.585	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@]1(C)CC=C(C)CC1	2221629736	GDVIIIJZTWGOLJ-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC(=CCCCCCCC1CC1)[C@@H]1CC[C@@H](N)C1	2223109274	IQKLUKZWSCVEGF-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CCCC(C)(C)C(=O)Cc1ccc(C2CC2)cc1	2223705363	SADJYWKTUWFIBC-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
O=C(CCCC1CCC1)c1ccc2occc2c1	2224160334	YIUKOTOFEGEMPN-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCCC(C)(C)C(=O)CCCC[C@H]1C[C@@H]1C	2243023974	DBOANCGPYAHBBK-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H](CC)CCC	2244782856	JABPEYZZGOACBW-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCCC1CCC(O)(CC2(C)CC(C)C2)CC1	2246544144	TULFFALADZEZAI-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CN)CC[C@@H]1CCCCC12CC2	2246621409	VTZZVQDEHLJROX-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)CCCC2CC2)C1	2246660189	OACWCXSXUBJZGQ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@@H](C)C1)[C@H](C)CC	2246728649	RBELDDWIGBPVHO-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCCCC[C@H]1C[C@H]1C	2247121503	IAASPNXCNAOVDJ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](N)(CC)CCCC[C@H]1C[C@@H]1C	2247161174	YZWVZJAMXPMHDK-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@H]1C)[C@H](CC)CCC	2250356114	PHDSRAQZCAZIJF-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@]1(N)CC(C)(C)CCC1(C)C	2251664027	GFFSZTWYSGSGDF-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)[C@](C)(N)c1ccc2ccsc2c1	2253063140	TWSAMCZAJPOBIJ-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(CC)c2ccc(F)cc2)C1	2253415417	AHGVIQDGJRRKIO-CJNGLKHVSA-N	249.373	4.621	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H]1CCCCC12CC2)NC	2253817452	KTCNLKNUUFFNNV-OBMMGQTPSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1CC(C(=O)C[C@H]2CCCCC23CC3)C1	2253833870	UDRBDBAUTDGHIS-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
CC1=C[C@@](N)(CC[C@@H]2CCCCC23CC3)CCC1	2253840997	UXSKCJJUJGEEPJ-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@H](N)CC[C@@H]1CCCCC12CC2	2253843865	NHVPDVJPNFZRCW-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@](N)(CC1CC2(CCCC2)C1)C1CCCCC1	2254103353	HOQBYVNOGBGRPP-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC2CCC2)CCC12CCC2	2254850608	AZAIJMQFGOVQIZ-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC1(CCNC[C@@H]2CCC23CCC3)CCCCC1	2254983097	YGNNUOJCOZDBAC-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC1CCC2(CC1)CC(O)(CC1=CCCCC1)C2	2255066089	YNYPFXGIDQQMSA-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1([C@H](O)CC2=CCCCC2)CCC2(CC2)CC1	2255092376	UAEGYSQMGSQNNG-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC[C@H]1CCCC12CC2)C1CCCCC1	2255311639	VSRJJALCRBCTLI-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(C)c1NCCCCC[C@H]1C[C@@H]1C	2257333737	YSCDQHMQCGLIIR-HOTGVXAUSA-N	245.410	4.932	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cc2cc(C)ccc2o1	2259448034	PJDLHTZHMGGZKN-GFCCVEGCSA-N	244.334	4.750	0	10	BJAE	
C1CCCC(CN[C@@]23CCCC[C@@H]2CC3)CCC1	2260554801	JSFQBJAVWJMACX-IAGOWNOFSA-N	249.442	4.659	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccnc(C(C)(C)C)c1	2260746253	RQAJVTVZQRTYSN-LBPRGKRZSA-N	248.414	4.616	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@H](C)CC1CCC1	2298858047	LPWKSPSSFVHZNV-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC1CC1)[C@H]1CCCCCCCC[C@H]1O	2298917881	ULJZDUNJHNVEPF-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCc1cc(C(=O)CCCC(C)C)ccc1C	2299666061	VPCQNDVGNFGSFM-UHFFFAOYSA-N	232.367	4.566	0	10	BJAE	
CCC(CC)CC[C@H](NC)C1(C)CC(C)(C)C1	2300679276	RKTLMLDDFXXDEZ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CC12CCCCC2	2300689880	CDRPPWOWRFXPOO-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(=CCCC1(CN)CCC1)CCCC(C)C	2300919724	ZHUXYLADYWAHKV-UHFFFAOYSA-N	237.431	4.668	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)CC1CCCCCC1	2301143972	ZAOUJOPQMFTVCI-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](N)CC[C@H]1C[C@H]2CCC[C@H]1CC2	2301237260	UWPRDAKBAAZDLW-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)C(C)(C)C1CCCC1	2301827280	AEZUTOSBVQFJDJ-OLZOCXBDSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@@H](C)[C@@H](C)C(C)C	2301957989	GYKBGRIXADUFQO-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
C[C@H]([C@H](N)CCCC1=CCCCC1)C(C)(C)C	2302353412	FRGGVESTTZRYMP-UKRRQHHQSA-N	237.431	4.667	0	10	BJAE	
N[C@H]1CCCC[C@@H](CCCC2=CCCCC2)C1	2302358681	JFWSKXYMKTYFTQ-HOTGVXAUSA-N	235.415	4.565	0	10	BJAE	
CCc1cscc1N[C@H](CC)c1occc1C	2302887542	NZDBOOPLWDKKRO-GFCCVEGCSA-N	249.379	4.775	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H]1CCC(C)=C(C)C1	2303577847	UUJPQPWCTMOXEE-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)CCC2CCC2)C1	2304414840	CNDKEMSOLWTXKU-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@@H](CCC[C@@H](N)C2CCCC2)C1	2304440737	VTCTXJNUIZSMQH-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@](C)(F)C(C)(C)F	2307651626	FTTDAXFOTHHREK-KGLIPLIRSA-N	249.389	4.541	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H]2CCCC[C@H]2C1=O	2307802248	VKCAWBZZOLFHNT-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CC[C@H]2CCCC[C@H]2C1	2308262554	XGRWCDJMHRGXLR-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@H]1C[C@H]1C1CCCCC1	2311610422	QNFSKLJUFVJBFS-LVQVYYBASA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@@]12CCCC[C@@H]1CC2	2313291449	XCSLFRAQJMBYGA-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CCC[C@@H]1C	2315871018	OLWIGVJRKDUSDS-BBRMVZONSA-N	245.410	4.967	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1C[C@@H]1C1CCCCCC1	2316501698	GOUYAQJODMGWFL-CVEARBPZSA-N	248.410	4.908	0	10	BJAE	
CC(=CCC(=O)[C@@H]1CC2CC1C2)CCCC(C)C	2316534129	ARAUAHBMTCSMTA-UYSNPLJNSA-N	248.410	4.764	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316791309	MPOAIVYIKYNBGJ-VZVUQUCLSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)c1cc2ccccc2o1	2317831777	PZAUYUKBEYALJB-VXGBXAGGSA-N	244.334	4.544	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@H](C)[C@@H](C)C(C)C)CC2	2317949827	BZJCNCIPKCKSPW-LZWOXQAQSA-N	245.410	4.650	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CCCC1=CCCCC1	2318549782	ZZZOQBBHSUFFGI-WBVHZDCISA-N	249.442	4.955	0	10	BJAE	
C[C@@H]([C@H]1CC1(C)C)N(C)CCCC1=CCCCC1	2318595536	QNWHCSQDTUUIGB-GOEBONIOSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)C23CCCC2CCC3)C1	2319115155	VXIOFXQHDPAIJY-UJEKJILKSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCC=CCC1)C[C@H]1CC[C@H]1C1CC1	2319591365	ILIFUKYXUDEXML-WBVHZDCISA-N	246.394	4.518	0	10	BJAE	
CCC1(CC)CC(NC[C@@H]2CCC(C)=C(C)C2)C1	2320230511	IFXKDNBWHDWTHC-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@@H](C)C2)c1F	2327777587	HEBQHODGFBYWOY-CHWSQXEVSA-N	249.373	4.940	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CCCC[C@H](O)C2)c1	2327783683	GBNFFMQCLLTGSH-CABCVRRESA-N	246.394	4.527	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1ccc(C2CC2)cc1	2328211691	AVHRCMKKPICLCX-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc2c(c1)CCC2	19994284	YQPWYDLHVGNMQS-XJKSGUPXSA-N	245.410	4.802	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1ccc(C)c(C)c1	20587050	QLIQREATWXXEEG-GOEBONIOSA-N	233.399	4.520	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCC[C@H]1CC	37031868	UUDUMDXLNSJLKF-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
CCC[C@@H](C)CCC[C@H](NCC)C(C)(C)C	70747419	KCPSMJOAWQKMAG-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CC[C@H](C)[C@H](Nc2ccccc2Cl)C1	82857377	CFDXCNYUQZHVPT-COPLHBTASA-N	237.774	4.577	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCC[C@@H](CC)C1	85064468	MEQSPTJDYFLSKJ-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C(CC)CC	87172730	ZUMZISIDNIFBBY-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCC1(C(=O)c2cc(C)sc2C)CCCC1	87315780	FMBGPPISRKVYTL-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCCC[C@@H](CNCCC)c1ccc(C)cc1	93139281	RPFMUKJWSYAYLR-KRWDZBQOSA-N	247.426	4.659	0	10	BJAE	
CCC(CC)[C@H](CNC(C)C)c1cccc(C)c1	94675633	UKEMISCBBNRRPE-KRWDZBQOSA-N	247.426	4.513	0	10	BJAE	
CCCC[C@@H](NCCC(C)(C)C)c1ccccc1	123921405	LXWWADUAYOVHEU-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1ccc(Cl)cc1	132908855	IXLPTXCZTYKILQ-CQSZACIVSA-N	239.790	4.556	0	10	BJAE	
CCN[C@H](CC(C)C)c1ccc(C2CCC2)cc1	133132642	OZVKDFMBHHMECP-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CCC)C1CCCC1	133203224	GTWGDWYTTPSPGE-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CCC(C)(C)C)c2ccccc21	137048941	IFBGYTGVZZAFKF-CXAGYDPISA-N	245.410	4.564	0	10	BJAE	
CCCCCCOc1ccc(N[C@@H](C)CC)cc1	142784590	KNZPZVNLUDLILR-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1C)C(CC)CC	163537629	XSKQAUKJZKOGNC-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CNCC(C)C)C(C)C	164432149	YEYQPJMQHSOPFA-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CCC(CC)[C@H](O)c1ccc(C(C)(C)C)s1	165596630	YIFOEEYZZVAXKV-ZDUSSCGKSA-N	240.412	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C(CC)CC	167828402	ANONDFHNCSPLBJ-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)c2c(C)cccc2C)C1	215916902	IGRSKQOUSAQEPS-VYDXJSESSA-N	246.394	4.553	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCC[C@@H](C2CC2)C1	224935905	WBKHKYQQEPZKKF-KGLIPLIRSA-N	247.357	4.515	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)c1ccsc1C	227789825	SAYYJHFPRIFDTO-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@H]1NCCC1=CCCC1	228568678	QGRJTOSRBGMARE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC[C@H](C(C)C)C2)c1	230986403	COADMUYRAQJSMQ-JKSUJKDBSA-N	245.410	4.930	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H](C)c1ccccc1	232951885	VRICPBFVTDNRHT-RDJZCZTQSA-N	247.426	4.739	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC[C@H]1CNC	251411774	XCYRINCGSFUBGT-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@](O)(C2=CCCCCCC2)CC1	300138856	WVARHDFJGAMXFB-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)c1ccc(C)s1	300969409	RRAXOEPHZBMWRX-RISCZKNCSA-N	239.428	4.533	0	10	BJAE	
CSc1ccccc1NC[C@H](C)CC(C)C	301017249	ZYLNGZRZHXCRSS-GFCCVEGCSA-N	237.412	4.503	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc2c(c1)CCCC2	302365420	LIJYJGPBPKYGET-ZDUSSCGKSA-N	244.378	4.574	0	10	BJAE	
CC(C)C[C@@H](C)CNc1ccc2ccccc2c1	305936330	KSZSSLMATPNJNC-CQSZACIVSA-N	241.378	4.934	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1ccc(C(C)C)cc1	308012692	CNQBZVCQNDZUDS-YOEHRIQHSA-N	248.410	4.916	0	10	BJAE	
C[C@@H]1C=CC(C)(C)C=C2[C@H](C)CC[C@@H]2C1	308729755	IGOFXNITIRXFNI-JHJVBQTASA-N	204.357	4.581	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CNCC(C)(C)C1=CCCC1	308771756	WFCCZOIMYZTZHR-LSDHHAIUSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@H](C)CC(C)C	310195796	ZPZQTBCNOPRVBV-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](N[C@H](C)CCC(C)(C)C)[C@@H]1C	310295842	LUBKDPBRDWDLGO-GBJTYRQASA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCC([C@@H](O)CC2(C)CCCC2)CC1	310429600	SKNSZEZHPLXVPF-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H](n2ccc3cc(F)ccc32)C1	310432588	CNGPIVHIDOGTIJ-SWLSCSKDSA-N	245.341	4.922	0	10	BJAE	
CN[C@H](C1=CCCCCC1)C(C)(C)C(C)(C)C	310587456	WMSYXOMPDCSNTF-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCC[C@@H](C)C2)cc1C	310728447	CVDNNDMQSSIPGR-DOMZBBRYSA-N	244.378	4.703	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNCC)CCC[C@H](C)C1	317143211	QLZGGQIHDAIBNE-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@H](C)[C@@H](C)CC	319612913	MKCQYBLETRFFER-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@H](C)c1cc(C)ccc1C)C1CCC1	322468338	NRIDJJLMXNWZPN-PBHICJAKSA-N	245.410	4.533	0	10	BJAE	
Cc1cccc2c1ccn2[C@H](C)c1ccccc1	380488365	BXQGMEPEWGDJTI-CQSZACIVSA-N	235.330	4.559	0	10	BJAE	
CC1([C@@H](O)c2ccc(C3CCCCC3)cc2)CC1	380763186	QBQNXPUHOJXSTF-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCCN[C@H](CC)CCCCCCC(C)C	383347577	CUJQHNSYCXKKQJ-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
C[C@H]1CC[C@]2(C)CCC(C)(C)C[C@@H]2[C@H]1C	383514899	PEBJZQBEEWPOET-RMRHIDDWSA-N	208.389	4.885	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C)CC(C)(C)C	384553949	GQSWCJBQVHLUOO-ZIAGYGMSSA-N	227.436	4.760	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)c1ccc(Cl)cc1	384829074	DYRUGJHZKITQAW-HNNXBMFYSA-N	249.785	4.620	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CCC1=CCCCC1	384934452	IWADFMNXEFJSDD-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
Cc1cc(-c2ccc(C(C)C)cc2)ccc1C=O	395394381	YBRACXBQPLSMOL-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CSc1csc2cc(C(F)F)c(F)cc12	396240941	LFLPKBHJJWHHDU-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCOc1cc(C)c2scc(C(F)F)c2c1	396258303	ZIUCOYJEDGKWNX-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1cc(C)ccc1F	401831214	MKNBMXRFIZAGMG-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
CCCN[C@H](CCC[C@H]1CC=CCC1)C(C)C	402259989	GJEGWPBDIPKMQX-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(-c2cc3cc(C)cc(C)n3c2)cc1	616581853	HEDLFRDTGRMIEX-UHFFFAOYSA-N	235.330	4.532	0	10	BJAE	
CCCCCC[C@H](O)CC(C)(C)c1ccccc1	686650620	SYFPWBAMEUZHSI-INIZCTEOSA-N	248.410	4.686	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@@H]1CCC[C@@H]1C	688927354	QRNMAFOTLFGESR-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
Cc1c(F)cccc1N[C@@H](C)CC1CCCC1	689800648	NGYHDNRWXKKOIL-NSHDSACASA-N	235.346	4.515	0	10	BJAE	
CCCCC[C@H](NCCC)[C@]12CCCC[C@@H]1C2	693286917	DTKDTLFPHIRHSW-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCC(=O)CCc1cccc(C)c1	696561155	UHDWIDUKGSQXTF-UHFFFAOYSA-N	246.394	4.713	0	10	BJAE	
CCN[C@H](CCCCC(C)(C)CC)C(C)C	696700570	FLKLOJHYMHHVPH-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CNC2CC2)CC=CCC1	696731539	BOVHAXIGTJPGAO-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CCNc1ccc(F)cc1Cl	696761360	YDAHOUIFSQRLBS-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCCCCC[C@@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	699050344	IVGUHIWOHVACTE-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
C/C=C\[C@@H](NCCC)c1cc2ccccc2s1	704671847	ISVHUXFMKMSJEY-RBWDJNPFSA-N	245.391	4.518	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C[C@@H](C)CC(C)(C)C	709139657	JCSNHOYRADZAMA-IUODEOHRSA-N	247.426	4.766	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCSCC2)cc1	709584833	ILDBFQGRJQCDMS-CQSZACIVSA-N	249.423	4.508	0	10	BJAE	
C[C@H](C[C@H](O)C1(C)CCCCCC1)C(C)(C)C	710725137	WJMGHTNZZZDXHP-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@H](CC)C(C)(C)C	711183742	GSGOCCYZVNFBEH-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)C[C@H](C)C(C)(C)C	711185723	XEYSOSIPLQQCHO-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CC(C)(C)CC[C@H]1C	713055945	BFJUIPXCKGTKSE-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H]1CCCC[C@H](CC(C)(C)C(C)C)C1	713174227	JZWMOKWORIQGJR-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H]1CC[C@H](C)C1	713176068	UIOAQCWHHKTQOZ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H]1CCCC[C@@H]1CNC(C)C	713182536	GTSKRYNOLXVUEM-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1ccc(C)c(C)c1	718623224	GRVIIJSEIGERBJ-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCCCCC1(C)C	719259364	JOTGIFATFWIVDA-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@@H]1CCCCCC1(C)C	719273367	ATECJMQPQOQJSN-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](CO)C1CCCCCC1	829249832	CEODLYCGVJZEKM-GOEBONIOSA-N	240.431	4.638	0	10	BJAE	
Cc1ccc(N(C)CCC2=CCCCC2)c(C)c1	1167084650	MOJRUKDSUJGCAB-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
C=C/C=C\CCN[C@H](CCCCC)C(C)(C)C	1459831155	CQTYGYHAZKKETP-WKTRQSJXSA-N	237.431	4.703	0	10	BJAE	
CC(C)c1nc2ccsc2c(Cl)c1Cl	1887064752	OTOWQDLWRMBJDT-UHFFFAOYSA-N	246.162	4.727	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CC1(C)CCCC1	1900596294	ISFMTKJGAMLBBL-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@@](N)(CC)CCC(C)C	1900712921	NGNCEZLYYFWSRY-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CCC(C)=CCc1cc(C)c(Cl)cc1OC	1900823378	QHUMDAYVWKHUFJ-UHFFFAOYSA-N	238.758	4.556	0	10	BJAE	
CCC(C)=CC[C@H](O)C[C@H](CC)C(C)(C)C	1900872334	WOWJXCBXSBVSNS-KBPBESRZSA-N	226.404	4.556	0	10	BJAE	
CCCC[C@](C)(CCC[C@@H]1C[C@H]1C)CNCC	1908551497	FYTAWPXVIBELLM-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2C[C@H]2CCC)CC1	1910747393	JNQUGBHHUFUBSM-FYRZTWFESA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@](C)(O)c1ccc(C(C)C)cc1	1920036274	QQTAMLQTALWLKK-KRWDZBQOSA-N	248.410	4.844	0	10	BJAE	
CCc1ccc([C@](O)(CC)[C@@H](C)[C@H](C)CC)cc1	1920043480	MZBCLKRCEABGID-KEYYUXOJSA-N	248.410	4.529	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C[C@@H]1C=CCCCC1	1925868911	DAUUQAYKGWYBNA-KFWWJZLASA-N	206.373	4.949	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@H]1C=CCCCC1	1925932529	FYGJQIGHWDWXJR-ZDUSSCGKSA-N	249.785	4.807	0	10	BJAE	
CCN[C@@H](CCC[C@H]1C=CCCCC1)C(C)C	1925944390	DKVQSNDMVZRIJK-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCNc1ccc(C)c(Cl)c1	1926135988	WUDBKQBCEXFXSM-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C1=CCCCC1	1926377164	ZRAZGLXGYGQMRJ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)C[C@@H](N)c1ccc(C2(C)CC2)cc1	1926385200	VOQHLJBFZZBPCI-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
C[C@H]1CC(=C2CCC(C)(C)C[C@H]2CN)CC[C@H]1C	1927148290	XKQXKFLATYOYKQ-IPYPFGDCSA-N	249.442	4.524	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1csc(Cl)c1	1933558600	BNZWDADVGZLXJT-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CCCC1(C)CC1	1935921896	SUWHAIIZKYZURS-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)[C@H](C)CCC(C)C	1937160869	AFQUXZWSGWVEGI-ILXRZTDVSA-N	228.420	4.636	0	10	BJAE	
CC1(C[C@@](C)(N)CC2CCCC2)CCCCC1	1940408366	KVURGNAYLVUTIG-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
Cc1cc([C@H](N)CC2CCC=CCC2)sc1C	1941791422	FCRQXJCQUVBCNF-CQSZACIVSA-N	249.423	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CCC(F)F)NCC	1942306743	IBXUOCNYKJVTMJ-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@H](C)CCC(C)C	1942653484	QVGFTHNQLXXEOJ-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](C)CCC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944206225	WXYYSDLAVAVXKH-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@@H]2CCC(C)(C)C2)C1	1945582310	LTIVGFDTGVEPJJ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCS[C@@H](C)C2)cc1	1946348740	BDIXWLQBZRLLCW-SWLSCSKDSA-N	249.423	4.506	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CC1CCC=CCC1	1949081508	OGEBUIAGSYGDMG-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CC1(CC[C@H](O)CC2CCCC2)CCCCC1	1949865667	BEEIUHGEAIQYGF-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CC12CCCCC2	1950624809	QMQBJOSJHPYOFV-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC=CCC2)CC1	1950926117	ZVRRWPXBRQLRHH-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC[C@]1(C)C[C@@H]1NC1CCC2(CCCCC2)CC1	1963195179	KRZLPEPOYPUZIP-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)[C@@H](C)NC[C@H]1CCC=CCCC1	1967814796	LCKZUPYCGOFVGN-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCc1ccc(OC[C@H]2CCCC(C)(C)C2)cc1	1968347143	WOHGHXWXCKJECX-HNNXBMFYSA-N	246.394	4.844	0	10	BJAE	
CCCOc1ccccc1NCCC(C)(C)CC	1968885802	SKKKXUFHVQXSQZ-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](CCC)[C@H]1CC1(C)C	1970831724	ZDMJHWIXGBIZMB-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(CC)CN[C@@H](C)c1cc(C)cc(C)c1	1973315247	FWLXCNPQTCCURH-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC=C(C)C)CC1	1980984920	YWKTXAZFNORRGE-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CC(=CCl)CN(CCC(C)C)CCC(C)C	1990806758	XYORRWHDGZDDBX-UHFFFAOYSA-N	245.838	4.523	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1C=CCCCC1	1990969448	SKKVWIUQZQCKJP-ZDUSSCGKSA-N	235.758	4.559	0	10	BJAE	
CCC(CC)C(=O)C[C@H]1CCCC(C)(C)C1	1994025052	CIXKBDXFJAPORC-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2CC[C@@H](C)C2)C1	1996235287	AOUCVRHLFFKCFR-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC[C@](O)(C[C@@H]1CC[C@H](C)C1)C1CCCCC1	1996553078	OAZXGIISQNSGBP-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(O)CC1(C)CCCCC1	1998741884	BQMWTCKGDZNRBE-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)[C@@H]1CCCC(C)(C)C1	2000161042	BZGLTYHLSAAQDC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)CCCC(C)C	2000373704	SLJWOCSGNMGDRA-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@](C)(CCCC1CCC1)CNCC	2000504275	GKNBIAVDQSTFGT-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@](C)(CCC(C)C)CNCC(C)C	2000514824	OEZFHZLHZLEWJU-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@](C)(N)C2CCCCC2)C1	2002921382	NRRIZPUYKNQADQ-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)[C@H]1CCC[C@H](C)C1	2003020429	OJNDVTCKLMKVEB-XGUBFFRZSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@@H]1CC(C)(C)CC	2003119839	WWEXJWYBYBPXNJ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCCCC(F)(F)C1	2003180881	FFFJJYBVLHKVME-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CCC1CCCCC1	2004226492	IBFPCOLDUAMPEH-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1(CC)CCCC1	2004229918	VGPXEZQUOVQPLK-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CN[C@@H](CCC(C)C)C1(C)CCCCCCC1	2004922075	CYRUAMLZTGMQJQ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNCC)CCCCC1(C)C	2005587762	ZGRHUMAQNTUGPZ-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC[C@]1(CN)CCCCC1(C)C	2005588296	CTLZYVHSAOIKFS-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](C)[C@H](NC)C1	2006962453	QYWCTSWRZHYVRU-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@H](C)CC[C@H]1O	2009419549	JVGDMNWEPKAJEQ-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H]1NCC[C@H]1CC1CCCCCC1	2009771878	SDDDZHKZSXFMKW-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(O)(CCC[C@H]2C[C@H]2C)CC1	2011562823	AQRJHCLGVHYKAC-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@H]1CCC(C)(C)C1	2013271206	PPVCDXJBVPZUHD-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@H](C)C1(C)CCCC1)C1CCCC1	2014335032	QHQYDTPWDGDAHW-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@@]1(CCC=C(C)C)CCC1(C)C	2014847150	UGEDURNFZCCRJY-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@](C)(N)[C@H]1CCC1(C)C	2014879693	FVHVFMNETATYFD-XEZPLFJOSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1C[C@@H]2CC[C@@H]2C1	2015235736	FDCFRAIZVDQAAA-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(CCC(=O)[C@@H](C)C1CCC1)C(C)C	2015392851	WEKYWDDWYWMWIK-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
CC(C)C1(C[C@](C)(N)C2CCCCC2)CCC1	2017143822	RAYZMJKNPDBEBA-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@H]2CCC[C@H](CC)N2)CC1	2017736637	YODQXTCVJWEOBT-CKUJCDMFSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CC[C@H](CCC(=O)CC2CCCC2)CC1	2017777110	YNCXBRRKRPVPIM-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CC)NC1CC(CC)(CC)C1	2018136249	JHZRKRFQCCRZSI-AWEZNQCLSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@@H](C)CC(C)(C)C	2018181957	CXOFDFUQGZBLAN-LSDHHAIUSA-N	241.463	4.959	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N(C)CCCC(C)(C)C	2019326030	QZFZDWZQEJJMQR-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCCC[C@](O)(CC)CC[C@H]1C[C@@H]1C1CC1	2019691210	SJZBUSNBTUDFTR-ARFHVFGLSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C[C@@H](C)C1CCC1	2019848799	GTEWCDBIVWDHKN-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@@H]1C[C@@H]1C1CCCCCC1)C(C)=O	2022554616	PWHBEIVWUWLJLQ-FVQBIDKESA-N	236.399	4.598	0	10	BJAE	
CC(F)(F)CCC[C@H](O)CCCCCC1CC1	2023302753	WCTKBCIDICEAKR-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@H]1CC(C)(C)C[C@@H]1CC(CC)CC	2023612081	MDJQTQWRBXOGKI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]([C@@H](N)C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2024095499	RGRULBINGCWHMK-IHRRRGAJSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C[C@@H]2CC2(C)C)C1	2024102976	XULFZJNQCAPZQC-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H]2CC(C)(C)CC[C@@H]2O)CCC1	2024144860	AWMVHHCBSGGRIR-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCC)[C@H](C)C(C)C	2026163857	OAZYCKDNJVDCSZ-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CCC1(F)CCC1	2026169288	HRQSIKAHDVZIQW-UONOGXRCSA-N	244.394	4.626	0	10	BJAE	
CCCC[C@H](C)C(=O)Cc1ccccc1C(C)C	2027511045	RIZMKNZLWFFSGV-AWEZNQCLSA-N	246.394	4.748	0	10	BJAE	
CN[C@H](C[C@@H](C)C1CC1)c1ccc(C(C)C)cc1	2027620492	HMHBMGOMXQWAKR-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NC)c1cc(C)cc(C)c1	2028251016	CDLCBCLYZUFDBY-SJORKVTESA-N	247.426	4.636	0	10	BJAE	
CN[C@@H](c1ccccc1C1CC1)[C@@H](C)C(C)(C)C	2028615059	QKBFZEAMVLXDHD-MLGOLLRUSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@H]2CCCC[C@H]21	2028760840	XIAYXXYZEKSYKZ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1ccccc1CC(C)C	2028918410	MSANDTDLYUFMRV-PBHICJAKSA-N	248.410	4.745	0	10	BJAE	
CCc1cccc(CC)c1NC[C@H]1CCC[C@@H]1C	2032514589	NOWDYACGFJTFNN-XJKSGUPXSA-N	245.410	4.660	0	10	BJAE	
CCC1CC(N[C@H](c2ccccc2)C(C)(C)C)C1	2034903963	OMEPZBQDNZGMJL-AVVWSFFYSA-N	245.410	4.552	0	10	BJAE	
CCC1(C)CC(CN[C@H]2CCCC23CCCC3)C1	2036485403	PJGSGEMLJSEGFA-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCCCN(C[C@H]2C=CCCCC2)C1	2036777799	BGLZRLGYGHYGPW-IRXDYDNUSA-N	249.442	4.635	0	10	BJAE	
CC1(C[C@H](N)CC2CC3(CCC3)C2)CCCCC1	2037978784	CUKKXPZNSNGRPS-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc3c([nH]2)[C@H](C)CC[C@H]3C)C1	2038007761	RQVKIHCBOUFKDT-LPWJVIDDSA-N	246.398	4.704	0	10	BJAE	
CCCN[C@H](CCC)C1CC2(C1)CC1(CCC1)C2	2039464873	YNYLWIKKNXUHHT-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccccc1C1CCC1	2040721043	IDJHDLLRMXUNDL-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCN[C@H](C1CCC(C)CC1)[C@@]1(C)CC=CCC1	2042023803	FQCVRXPNOMLSLY-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC=C[C@]1(N)C[C@H]1CCC=CCCC1	2045311386	JEGXYEYYFVQYCU-RDJZCZTQSA-N	247.426	4.587	0	10	BJAE	
CCCC1CC([C@@H](N)C[C@H]2CCC=CCCC2)C1	2045330344	VKBCBMYTHHSRKC-OTBWCIGPSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc([C@@H](O)C[C@H]2CCC=CCCC2)c1	2045335213	PTHNWCYBBPTSAR-RDJZCZTQSA-N	244.378	4.555	0	10	BJAE	
CC1(C)CCC[C@@H](C2(N)C[C@H]3CCC[C@@H](C3)C2)C1	2045390828	IGMBIEBDUOQMCH-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@]2(C3CC3)CCCCCN2)C1	2045399581	LIDKNZVSNVCUCJ-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CCC[C@@H]2C2CCCCC2)C1	2045523363	XTUXVLZKXUISFS-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CC2CCC=CCC2)C1	2049489152	AZYJWUFUWYDQPC-QGZVFWFLSA-N	249.442	4.668	0	10	BJAE	
CNC[C@]1(C[C@@H]2C=CCCC2)CCCC(C)(C)C1	2049507906	DQXSCBDCVYBORA-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2CCC3(CC2)CC3)C1	2049853448	DYMAYNRQLSFAKZ-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CC1CCCC1)CC1CCC2(CC1)CC2	2049863915	ZKAFVYGVOTZXRZ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H](O)c2ccc(C)cc2)C1	2050439812	CYHHJMYJMSJNNG-VYDXJSESSA-N	246.394	4.635	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@H](N)c1cccc(C)c1	2050466281	ZDVDWSOITKUOLL-INMHGKMJSA-N	245.410	4.601	0	10	BJAE	
CC1(CC[C@@H](N)c2ccccc2F)CCCCC1	2050495694	WTVRHNUWXALTPI-OAHLLOKOSA-N	249.373	4.576	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@@H]2C=CCCCC2)CC1	2056557369	SWILCDYZDAUSKJ-JCCCHCCOSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC(N)(CC2CC(C3CCC3)C2)CC1	2056639650	IIWJIGGHTYFLRE-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CC(=O)c2cc(C)c(C)cc2C)C1	2056667953	MUHFYSCHLIVQEF-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
Fc1ccc2c(c1C[C@H]1C=CCCCC1)CCC2	2057855991	BGPFVYBMFUGXCY-ZDUSSCGKSA-N	244.353	4.603	0	10	BJAE	
CCCC1([C@@H](N)C2=CC[C@H](C(C)(C)C)CC2)CC1	2061100247	VOFOHYITFBEINV-GJZGRUSLSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)[C@@H]2CCCC[C@@H]2C)CC1	2061116546	QWGAOZYZIHSHIJ-XOSAIJSUSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C1=CC[C@H](C(C)C)CC1	2061149396	CLQOMJWQKQFVGY-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H]1CCCC(C)(C)C1	2061560462	GKINFMDREPBMQM-CVEARBPZSA-N	249.442	4.692	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C[C@]12CCC[C@H]1C2	2061615952	HXISEHWCTSFKHY-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](CC1CC(=C2CC2)C1)NCCC	2061726352	PFDIVTJXEXPNAT-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1C[C@H](CCC[C@H]2C[C@H]2C)Nc2ccccc21	2062642924	STHKAFCKYHYAMB-KBXIAJHMSA-N	243.394	4.801	0	10	BJAE	
C[C@]1(C(=O)CC2C[C@H]3CCC[C@@H]3C2)C=CCCC1	2063418604	MLVXIYPQDQXMAQ-INMHGKMJSA-N	246.394	4.518	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063492041	WHYJTKDWSJHSOI-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CNC1CC1)CC12CCC(CC1)CC2	2065327833	NYKUHGKAEISZGK-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@]3(C)C[C@H]23)cc1	2065657421	MWPZLMJTQJSHGV-BFYDXBDKSA-N	243.394	4.585	0	10	BJAE	
CCC/C=C/CNC(C1CCCC1)C1CCCC1	2065936695	OZCZSKYOLHEESS-RUDMXATFSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1(CCC)CCC1)[C@@]12CC[C@@H]1C2	2069342291	NIDYHDBKGTYVNU-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@]1(C)CC1(N)CCC2(CCCCC2)CC1	2070959939	TWILGVPGNBPNJR-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CCCC3(CC3)C2)CCC1	2071941477	UGUUFHKHXVRCLN-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CC3CCC2CC3)CC1	2072805525	CTHACMWGHJSXSM-UCMFOZJVSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2Cc3ccccc3N2)CC1	2072816934	ZEPARWAAQRFUQO-DZKIICNBSA-N	243.394	4.630	0	10	BJAE	
CN([C@H]1C=CCCCCC1)[C@@H]1CCCCC12CC2	2074796169	DVXIQKOXQUBSPZ-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
CCN(Cc1ccc(C)cc1)[C@@H](C)CCC(C)C	2075233875	RCPVMNFDMKNJHJ-INIZCTEOSA-N	247.426	4.642	0	10	BJAE	
C[C@H]1CC[C@H](CN2CCC23CCCCCC3)CC1	2075306995	OPWDLQXGKKHKNW-WKILWMFISA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2077196970	OUTPQMKJJSDXDK-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
c1ccc(C2CC2)c(NC2C[C@H]3CCC[C@@H]3C2)c1	2077263706	BRTURCHTARJCNH-ZIAGYGMSSA-N	241.378	4.555	0	10	BJAE	
CN(C[C@@H]1CCC=CCCC1)[C@H]1CCCC1(C)C	2077364208	VXENVWJNTPWHMW-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
c1cc(N[C@@H]2CCC3(CC3)C2)cc(C2CCC2)c1	2078337997	OZDIJXCZDUKOIB-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H]1C[C@@H]1C1CCCC1	2079800596	AATIFXROHBQBLC-JKSUJKDBSA-N	244.378	4.509	0	10	BJAE	
O=C(C[C@H]1C[C@H]1C1CCCCC1)C1CCCCC1	2079842076	MJXCKVFBKZRNSD-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(F)ccc1NC1CC(C(C)(C)C)C1	2081948087	ZOPGCAMUQUYDKT-UHFFFAOYSA-N	249.373	4.625	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CC[C@H](C(C)C)C2)CC1	2085306983	FETKSYGPNWXENR-VYDXJSESSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)C[C@@H]1CC12CC2	2086350550	LYZSHHXLVACCSX-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(CC=Cc2ccccc2)s1	2210663193	YTAGQTVLMGTRRA-UHFFFAOYSA-N	228.360	4.566	0	10	BJAE	
CC[C@H]1C[C@@H](CCCCCCC2CC2)CCN1	2213572910	BMQMAQBHZHDOKO-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
C(=C/c1ccccc1)\Cc1ccc(C2CC2)s1	2213823855	YOTBDLJWZNKKHB-QPJJXVBHSA-N	240.371	4.881	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CCCCC2CC2)CC1	2214558832	STRLFMUVEMSVJQ-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CC1CC1)NCCCCCCCC1CC1	2216872410	MWKXOALPLPEOQP-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CN[C@@H](C)CC)C1CCCC1	2217138201	DQMAVGNTCBYJGL-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC=C(CC)[C@H](NCC)C1C[C@H]2CCC[C@H](C1)C2	2218352230	VWFFJLRDJSWWGP-ZQIUZPCESA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2C[C@H]3CCC[C@H](C2)C3)C1	2218357255	QDVMTHBQTUEONN-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](NC1CC(CC2CC2)C1)C1CCCCC1	2218494632	YGGFVXXNQMEEJY-PREGVCBESA-N	249.442	4.514	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CC[C@@H]2CCC[C@@H]21	2218719847	CHDCBSDQWDEGPY-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@@H]1CC12CCCC2	2220026018	VCBZKWQOJOSDRL-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC1(CNC(C)(C)C)CC=CC1	2220850904	JEWPVLRWXNNKOV-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CNCCC=C(C)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222971245	GZNOODMOLACYCF-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
C(CCCN[C@@H]1CC[C@@H]2CC[C@H]21)CCCC1CC1	2223157914	IFWGCHCQVCFOGN-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(CNC2CCC2)CC=CCC1	2223546460	BPAHSBVPGKYIEV-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)NC[C@]1(C2CCCCCC2)C=CCC1	2223594685	MNZGBCMPIAIHLS-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C1(CNC2CCC2)CCCC1	2223594696	MOOIVUHPNHRGOU-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CCCCC2)CC=CCC1	2223599500	WLWPXGTUTFFDAB-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C)C(=O)c1ccc(C2CCC2)s1	2244712076	LAMOSKYTNODCAF-SNVBAGLBSA-N	236.380	4.635	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](C)C(C)(C)O	2244846247	AFRVZOKCHXGCCV-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1cc2ccccc2s1	2246873418	RPOLPDDCRWHHBX-IUODEOHRSA-N	247.407	4.583	0	10	BJAE	
CCC(C)(C)CCN(C)CCCC[C@@H]1C[C@H]1C	2247156947	BALMANMHAIIJJO-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H](N)C1CCCCCCC1	2247310783	NRGAFZFDFKPWHC-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H]1CCC12CCC2	2247435328	UCLKMIJAKQMFQL-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)CC[C@@H]1CCCC12CC2	2247646937	CPBSKLHUCKUMNK-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CC(C)=CCCCc1ccccc1OC(F)F	2248030444	NJTVZZAMFRJSNX-UHFFFAOYSA-N	240.293	4.577	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@H]1CCCCC[C@@H]1O	2248819053	HKDHXKUCSBVBHN-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCCNCC(C)(C)CCCCC[C@H]1C[C@@H]1C	2248839649	CZUIYFFXKSVSBV-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)c1cnc(-c2ccc(C)cc2)s1	2252758548	MVXGEGMHDLRLHO-UHFFFAOYSA-N	245.391	4.806	0	10	BJAE	
CC1CC(C)(CC(=O)C(C2CCC2)C2CCC2)C1	2253684828	QOJDQRHNQFTKGD-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1([C@](C)(N)CC[C@H]2CCCCC23CC3)CCC1	2253837202	DHKVBVXODOHTHR-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
CC1(NCC[C@@H]2CCCCC23CC3)CCCCC1	2253891702	QWDBWVNLWDXUEE-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@H]2CCCC23CC3)C1	2254010407	GMHKBMPGCXKJCS-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](CC2CC3(CCCC3)C2)N1	2254043606	VWVHNEQHRVBGSJ-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)CC12CCC(CC1)C2	2254528998	GTLSYAQLXHWVTC-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@H]1CC12CCCCC2	2254593748	IUQQUWZPNAVXFP-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@]1(C[C@@H]2CCC23CCC3)CCCCCN1	2254983195	ZCYBSNVGRSVPJN-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@H]1CC1=CCCCC1	2255092485	UQZPLKSFBNJPJI-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC[C@H](CNC)[C@@H](CC2=CCCCC2)C1	2255094559	AYXKHWPCHUBMPX-DJIMGWMZSA-N	249.442	4.539	0	10	BJAE	
C[C@@](N)(CC[C@H]1CCCC12CC2)CC1CCCC1	2255328426	FYJNLCANXUGEGT-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCCC12CC2)[C@H]1CC1(C)C	2255334672	ZZKBKOVZPSAZCG-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@]12CCC[C@@H]1CC2	2260525486	VQPRPZVXYBFFNZ-CXAGYDPISA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@]23CCCC[C@@H]2CC3)C1	2260527042	ITKXBWCDTHSWKZ-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@@]12CCCC[C@@H]1CC2	2298694720	PSXKQWNIYOMUEX-IIAWOOMASA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H](C)CC1CCC1	2298857994	LBKAYMMRPDWYKY-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
Fc1ccc(C(F)F)c(CCC2=CCCC2)c1	2300649476	WIJOFESWHBJVBY-UHFFFAOYSA-N	240.268	4.806	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CCCC(C)(C)C1	2300682225	WXUSVBFWMDSOML-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@H](C)[C@H](C)C(C)C	2301828136	GXIHNMIHUOSZMI-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](c2nc(CCC3CC3)cs2)C1	2302269351	XUYGKVMBPGMQGR-LBPRGKRZSA-N	249.423	4.779	0	10	BJAE	
C1=C(CCCc2csc(C3CC3)n2)CCCC1	2302340146	GYOGILHUOFXDND-UHFFFAOYSA-N	247.407	4.844	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)CCCCC1CC1	2302569340	JOUPLGNYVBJXFK-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCc1cscc1N[C@H]1[C@H]2CC[C@@H](C2)C1(C)C	2302884461	FRKNIRONXCKDBE-OBJOEFQTSA-N	249.423	4.547	0	10	BJAE	
Clc1cc(C2CCCCC2)nc2ccccc12	2304046112	MTVHDOSBALRFGQ-UHFFFAOYSA-N	245.753	4.936	0	10	BJAE	
CC(C)NCC[C@H](C)CC[C@H]1CCC(C)(C)C1	2304408752	BJZIZJOSZDJGER-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304436540	SQNOCALRVBENSO-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@](C)(F)C(C)(C)F	2307674575	PRSFPTICOSUIOM-RISCZKNCSA-N	248.357	4.638	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312951452	RQNLFSRMMNLRTQ-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@@]12CCCC[C@@H]1CC2	2313323154	VZDXMAOQZPTLQM-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
CCc1ccccc1[C@@H](CCC(CC)CC)NC	2316248671	RGZZMNREIAKULO-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C1(C2CCC2)CC1	2316533866	DMABNGBMRTYTIK-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@](N)(CC1CCCCCC1)[C@@]12CCCC[C@@H]1C2	2316884219	GQWARCCINKSHSK-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317156607	VYPHVRUPJWLFNA-KFWWJZLASA-N	248.410	4.764	0	10	BJAE	
CCCc1ccc([C@H](N)[C@@H](C)[C@@H](C)C(C)C)cc1	2317825232	WIVYEPPORIQOQB-GRDNDAEWSA-N	247.426	4.567	0	10	BJAE	
C[C@@H]1[C@H](Nc2cccc(C(C)(C)C)c2)CC1(C)C	2318181742	HAUDEYNGYILTLB-IUODEOHRSA-N	245.410	4.831	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(N)C[C@@H]3CCCC[C@@H]3C2)C1	2319030062	MBUCQKAFJSTZRT-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H]2CCC(C)(C)C2)cc1	2319287133	SLEPJRUNIRQORJ-AWEZNQCLSA-N	244.378	4.648	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)CC2=CCCCC2)CC1	2320402393	RONHHFVELUGZFZ-IRXDYDNUSA-N	247.426	4.731	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@@H](C)C3CCCC3)(C1)C2	2321649650	GFTURRUOWIYQQN-IGEOTXOUSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2C[C@H]2C(C)C)c1F	2327778328	OAMMWLWBZQLBRI-JSGCOSHPSA-N	249.373	4.653	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cccc(C2CC2)c1	2328278304	PNTWMEVDPWPDTD-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
Cc1ccc(C(C)C)c(OCc2ccccc2)c1	1843170	CKYBMTWLNJHOLM-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccccc1Cl	19994833	VZLAQGFNUNJZMV-NSHDSACASA-N	225.763	4.577	0	10	BJAE	
CCCCCCNc1ccccc1C(C)(C)C	35022598	PFKUJEQRFZDIHA-UHFFFAOYSA-N	233.399	4.976	0	10	BJAE	
CCC(=O)c1ccc(-c2cc(C)cc(C)c2)cc1	38069545	FALACDABBNMFBE-UHFFFAOYSA-N	238.330	4.563	0	10	BJAE	
CCC[C@H](N[C@@H](C)c1ccco1)c1cccs1	49541055	XKENULSTLHZSIZ-RYUDHWBXSA-N	249.379	4.533	0	10	BJAE	
CCSc1ccccc1NCC(CC)CC	71104774	YFBKKKNXWLWUBY-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CC)CNC(C)(C)C	71128175	ADLGDASWMWJZIH-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@H]1CCC[C@@H](CC)C1	71156032	GKZDDKFCXYRDIL-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC(C)(C)CC2)c1	86893317	VMDGGRPDSVLNCU-CQSZACIVSA-N	231.383	4.766	0	10	BJAE	
CCCCC1CCC([C@]2(O)C[C@@H]2CCC)CC1	92713234	WJQJPVSWTRKTDU-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(N)sc1-c1ccc(C(C)(C)C)cc1	107452585	MIVLEOOYLIPUPA-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
CCC1CCC(O)([C@H]2CCCC[C@@H]2CC)CC1	111745433	URXRSAHNNLCJDG-PYBGIAKNSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@H](CC(CC)CC)C1CCCC1	128252787	ZAVOKSXFBVYZSH-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)c1csc(CSC(C)(C)C)n1	132243863	IJDBTRYAFBWWCW-SECBINFHSA-N	243.441	4.688	0	10	BJAE	
CCCC(CCC)[C@H](O)c1ccc(Cl)s1	132975215	WYARZPCKDAMSCK-LBPRGKRZSA-N	246.803	4.651	0	10	BJAE	
CCc1ccc(CCC2=CCCCC2)cc1	137833475	ANJXEHRJMKVKFC-UHFFFAOYSA-N	214.352	4.682	0	10	BJAE	
CCNCC1(C2=CCCCC2)CC(C(C)(C)C)C1	161447360	QNZNQQLCXUXNLY-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCCC(C)C)CC1	165634082	UKRIHGDFQQUHEY-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
O=C(c1coc2ccccc12)C1CCCCCC1	167701780	JUTRXQUWWJUNQJ-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)C1CCC(CC)CC1	168728256	VGLXULJAFXLVNE-KNIAUWFNSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](C)c1ccc(C)cc1C	212639218	IVIUFAQUVVEGKB-WBVHZDCISA-N	247.426	4.575	0	10	BJAE	
Cc1cc(F)ccc1C(=O)[C@@H]1CCCCC1(C)C	226784834	NRHUJHHRHKDIEH-AWEZNQCLSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1ccccc1Cl	228668415	HARGUMBFZUYEEC-RISCZKNCSA-N	239.790	4.556	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)c1csc(Cl)c1	233288389	BYCRYMGBUTWHLA-MWLCHTKSSA-N	245.819	4.631	0	10	BJAE	
CCN[C@H](CC1CCCC1)c1c(C)cccc1C	233582750	LHNSYEGOEQIBHW-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C1=CCCCCCC1	233597261	WLMSKCKWPALJKS-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CCC(F)(F)C1	304175816	JQXKGCYIPBQHMO-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cc(CC)ccc1CC	306053808	USINWOUXAIIWAP-ZDUSSCGKSA-N	246.394	4.820	0	10	BJAE	
CSc1ccc2c(Cl)csc2c1C	307298607	XBCMSSJHKHRINU-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCCC[C@H](NCCC)[C@H](CC)CC(C)C	308093192	JINVQSFWSQPEST-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1cc(C)sc1C	308100384	DMBUTSHIDRGHHM-LBPRGKRZSA-N	238.396	4.620	0	10	BJAE	
CCN[C@H](CCCC1CCCCC1)CC(C)C	310060946	POVUOEQCMIVSQT-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
O[C@@]1(C2=CCCCCC2)CCCC12CCCCC2	313008435	NYJJJCVRXFQBGJ-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H](C)[C@H](C)CC	320012603	VNOPNNMEXZWPEA-RBSFLKMASA-N	227.436	4.617	0	10	BJAE	
CCCc1ccc(C(=O)C(C)(C)C2CCC2)cc1	322624280	PZIFCYKTTGBCBG-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
Cc1ccc(C[C@@H](O)CCCCCC(C)C)cc1	383113372	ADZICUSFKGHZHF-KRWDZBQOSA-N	248.410	4.505	0	10	BJAE	
CCN[C@@H](CCCCCCC(C)C)C(C)C	383365943	HVEUKXXVPXQYTR-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCN[C@@H](CC)[C@H](C)CCCCCC(C)C	383391917	PAWLRWXIYMUKCF-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Cc1cccc([C@H](CO)CCCCCC(C)C)c1	383602557	ZVBUYDCBQOQYNY-KRWDZBQOSA-N	248.410	4.677	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@H](C)c1ccccc1	384991493	VFSVLDMJXQSNED-DOTOQJQBSA-N	247.426	4.595	0	10	BJAE	
CC/C=C\CN[C@H](CC(C)(C)C)c1ccccc1	385083374	XAHVROXZZLLAOS-CXSQMQJXSA-N	245.410	4.720	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cccc2ccsc12	386247018	QJSBKGDPVSBZDP-MNOVXSKESA-N	233.380	4.748	0	10	BJAE	
CCC(CC)[C@@H](NC)c1ccc2sccc2c1	386298802	JUJNCDNMDOZJOO-OAHLLOKOSA-N	247.407	4.598	0	10	BJAE	
CCN[C@H](C)[C@H](CC)CCCCCC(C)C	394763177	OEUDUPXBNHDSRD-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	403335746	FBPFMEVNVHUKSS-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@H](CC(C)(C)C1CC1)NCCC	405737872	OEQQRLRHUVJBMV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC1(CNc2c(C)cccc2CC)CC1	687548811	VMJFEUPVAZDEOQ-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CC(C)CCCCCCNCCCC1CCC1	688393974	IKQLKKQUUMONJH-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)c1cccc([C@]2(O)CCC[C@H](C)CC2)c1	688939711	PTKIFZBQIQVSEG-YOEHRIQHSA-N	246.394	4.598	0	10	BJAE	
CCSc1cccc(N[C@@H](C)CC2CCC2)c1	689703009	RLDKTRXRXFSAFL-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(C2CCC2)cc1	690152880	KNOHBWGWICEQAR-HNNXBMFYSA-N	231.383	4.945	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCCCC[C@H]2C)c1	691085291	YBEOAMCZENLAPS-IUODEOHRSA-N	235.346	4.515	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1NCCC1=CCCC1	691097115	FLWJXJOGOKCOAV-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(NCC(C)(C)CC)cc1Cl	691204056	OLMYVQWNDAXKTO-UHFFFAOYSA-N	239.790	4.751	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCC)C1CC(C)C1	691941829	OUWDJWNIORJYOI-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CC(N)(CC(C)C)CC(C)C	704905989	BSEWKFDCIPWAGF-HNNXBMFYSA-N	241.463	4.848	0	10	BJAE	
CCCC[C@@](C)(N)c1ccc2ccccc2c1C	707621970	PRIZPJOEZCCQST-QGZVFWFLSA-N	241.378	4.512	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CC[C@@H]2CCC[C@H]21	707860681	PQFQREWTHUFWGH-NJZAAPMLSA-N	249.785	4.639	0	10	BJAE	
CCCC1(CNC[C@@H](C)CC(C)(C)C)CCC1	709080235	LTEXSKYPVSHNNI-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](C)[C@@H](C[C@@H](C)CC(C)(C)C)C(C)C	709105750	MZGNKJLDWTXSST-KFWWJZLASA-N	241.463	4.719	0	10	BJAE	
C[C@H](CNCCCC1CCCC1)CC(C)(C)C	709132391	XISWZZWYAAEMSQ-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCC12CCCC2)C(C)(C)C	710721929	AYUOQWQTXKMKLE-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)C23CCC(CC2)C3)CC1	710976159	FVSMLWGUJCYWGM-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2C[C@H]3CC[C@H](C3)C2)CC1	711010888	SWAIGUGBQXPKKQ-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)c1c(C)cccc1C	711123936	SOIPLJCRQOIWSX-GJZGRUSLSA-N	247.426	4.636	0	10	BJAE	
CCC(C)(C)CCC(C)(C)CCNC(C)C	711296899	YNABGXLKUNCAOZ-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@@H](CCC(C)C)C1CCCCC1	711312458	NDTWDOYECPKPCX-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@H](CC(C)(C)CC)C1CCCCC1	713162521	ZHEDAIDEIWOIMP-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CNCCC(C)(C)CC(C)(C)C(C)C	713210088	IMIPPVLPUZKNTO-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CCC(C)(C)C[C@@](N)(CC)CC1CCCCC1	713247342	IYQCZIYHJXBRPN-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@H]1CC(C)(C)CC	713263632	LJZXKTLIFPYZRI-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CCN[C@H](CCCC)c1ccccc1	713494902	DRCILBFYSRVUHA-XTKXOIQPSA-N	243.394	4.640	0	10	BJAE	
C=C/C=C\CCc1ccc(F)cc1C(F)(F)F	713676266	YHOLVBNZJDFXBI-ARJAWSKDSA-N	244.231	4.519	0	10	BJAE	
CC[C@H](NC1CCC=CCC1)c1cccc(C)c1	718038470	ABJKGFOQAPGLOJ-KRWDZBQOSA-N	243.394	4.535	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1ccc(C(C)C)cc1	718513690	NTLGLVUWJOCCLE-KRWDZBQOSA-N	245.410	4.946	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)c1cc(C)oc1C	718632850	JIRDMSWNQJPKHF-MRXNPFEDSA-N	249.398	4.684	0	10	BJAE	
CC(C)=C(C)CCc1cccc(OC2CC2)c1F	718711717	UVMBCKRPZNNWLT-UHFFFAOYSA-N	248.341	4.656	0	10	BJAE	
C[C@H](SCC(C)(C)C)c1ccccc1F	1652835097	GSVGWKFGBXQVPC-JTQLQIEISA-N	226.360	4.666	0	10	BJAE	
CCCCCN(C)[C@@H](C)c1ccccc1Cl	1653182388	WWPBSYBTOTYCFH-LBPRGKRZSA-N	239.790	4.523	0	10	BJAE	
CC=CCCCc1cc(Cl)sc1C	1882216147	DZGQCPAINPQOQQ-UHFFFAOYSA-N	214.761	4.609	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CC(CC)CC	1900846013	UNSHRYPVBZIQHF-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN(CC(C)C)C(CC)CC	1910865729	KGVHPLOUMFPYFP-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCC(C)(CC)C(C)=CCCNC(C)(C)C	1911737418	UCWSTYKPLIVFQG-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)(CC)NCCC=Cc1ccccc1	1912010366	XYMLTIQYUKMLRM-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)C1CC2(CCCCC2)C1	1912634252	LEBGDFJUGYXYQN-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@](N)(CC)c1ccc2ccccc2c1	1920139984	URQYHKAKQFYACF-KRWDZBQOSA-N	241.378	4.594	0	10	BJAE	
CCCCCC[C@](C)(N)C1CCCCCC1	1920193894	NIVOEXGLMRHXQA-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H]1CCCC12CCC2	1921609369	DQDANRMQVPHYAN-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@@H]1CCCC12CCC2	1921629629	JSOCNIXAXWTVKH-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H](C[C@H]2C=CCCCC2)C1	1925888255	FUEJWKOYEWQSSA-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)CC(C)(C)NC[C@H]1C=CCCCC1	1925924456	ZEWMMGYLTYQKSO-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)CC1CC(C)C1	1927013713	BDJJSUGAMWZNDU-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
CC(C)c1csc([C@H]2CCCC3(CC3)C2)n1	1936184701	WVCMKGRTGBZPNW-NSHDSACASA-N	235.396	4.704	0	10	BJAE	
CC[C@@H](C)c1csc([C@H]2CCC(C)(C)C2)n1	1938014344	XZFBCDCLMKXZAZ-MNOVXSKESA-N	237.412	4.950	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(O)CCCC1(C)CC1	1940870504	UJJXQZBCWKWXAO-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C=C(C)c1cccc(N)c1)CC	1940980122	PKWQDMUQESCYBQ-CQSZACIVSA-N	231.383	4.889	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@H](CCC)C(C)C	1941263014	LOSWRRNPPKMOJY-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CCC1CCCC1)NC	1941263268	NYRZAPNFBVCDQJ-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H](O)C1(C)CC(C)(C)C1)CC(C)(C)C	1941987434	KTZRBEIMDFUCIK-OLZOCXBDSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](O)CC1CCCCC1	1944620826	AHYHQVBEBDUKGF-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)C[C@@H](C)C1CCCCC1	1944661499	UFPPBVHZMQXRPT-UKRRQHHQSA-N	239.447	4.602	0	10	BJAE	
CC1([C@@H](O)c2cccc3sccc23)CCCC1	1945956908	GOLNUMWXJWUNQI-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CCC[C@](O)(CCC(F)(F)CC)C1CCCC1	1947886024	ZMLFOVDEZIAKQA-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCC(F)(F)CC1	1948168174	CQOKELMGLMKXPD-ZDUSSCGKSA-N	247.373	4.513	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	1948597435	XQPACONUCCFYLG-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)CCCC1(C)CC1	1949054181	KCEPGKVRZWHCBP-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]1C[C@H](N)C1CCCCCCC1	1949059439	CSDBKENKPJQHMU-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC1CCC=CCC1)C(C)(C)C	1949831083	PUSLPZRFNCAGRN-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CCCC[C@H](O)CC1CCCC1	1949869766	KEDDLBQRZWJOMQ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
Clc1cccc(NC[C@H]2CC23CCCCC3)c1	1950645248	UKFAXEIOMOYKKJ-GFCCVEGCSA-N	249.785	4.722	0	10	BJAE	
CC(C)(C)c1csc(CC23CCC(CC2)C3)n1	1950958897	PMKQLPKNLFLYIS-UHFFFAOYSA-N	249.423	4.563	0	10	BJAE	
CC[C@H](C)N(Cc1ccccc1)C1CCCCC1	1953231666	UIPUSQGVQRARBW-HNNXBMFYSA-N	245.410	4.620	0	10	BJAE	
CCCC(C)(C)C(=O)CCCC(C)(C)C	1958156665	XTJFAMBEOZOZLQ-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCCCN(CCCC)CC1CCC(C)CC1	1963219010	JONDYCLHVPEJQD-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
C1CCC(CCCN[C@H]2CCC[C@@H]2C2CC2)CC1	1967851034	KNXRWYHQJUEWRA-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CC[C@@H]1CC(C)C	1968237856	PCZLVIRLVKOUGN-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](N[C@H]1CC[C@H](C(C)C)CC1)c1ccco1	1969972870	AGIYEDBRRQMBSU-RBSFLKMASA-N	249.398	4.535	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCCCC[C@@H]1N	1980335528	AYCCBCVNPBCSIZ-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CCC[C@@H](CC)C1	1984590626	FACUNNZTPUAVNY-KBUVRSHFSA-N	222.372	4.518	0	10	BJAE	
CC=CCCC[C@@H](O)[C@H](CCC)CC(C)C	1984604210	VLYFZIUZERMUSB-HUUCEWRRSA-N	226.404	4.556	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H](C)C(C)C)C(C)(C)C	1988303541	VRBMDTKFHMCZBD-CHWSQXEVSA-N	226.404	4.700	0	10	BJAE	
CC[C@@H](CNc1ccccc1SC)C(C)C	1988767863	NYPJNHGLTULUTB-LBPRGKRZSA-N	237.412	4.503	0	10	BJAE	
CCCCCC(=O)C[C@@H]1CCCC(C)(C)C1	1994026014	MFKOGHAIYUPPHQ-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@@H]1CC[C@H](C)C1)C(C)C	1996232055	ZKLNBKDFBANSLQ-ZNMIVQPWSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H](O)CC2CCCCCC2)C1	1996267147	FEMGUPUWNFDHRG-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC1CCC([C@@](C)(O)C[C@@H](C)C(C)(C)C)CC1	1996548948	SVENVGFXTMXZKR-MFQJDOPTSA-N	240.431	4.636	0	10	BJAE	
CCCSc1ccccc1NCCCC1CC1	1996563202	BYYXPBRTBIDSBD-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CCC1CCC1	1998033040	WZZIXWVNOAJAMQ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CCCC1CC1)CCC(C)=C(C)C	2000381092	AOGXUHSCWOZSRH-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@](C)(CCCC1(C)CC1)CNCC	2000507157	DQKBXXUWTWPVCB-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@](C)(CNCC)[C@H]1CCCC[C@@H]1CC	2000511727	GTNKBLWYJBSNKQ-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@H]1CC12CCCC2	2001216577	QIFNBYKVYKTVPJ-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@@H]1CC12CCCC2	2001257446	WWAMLIVMEWMFGX-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C[C@@H]1CCC12CCC2	2001859834	NGMPYAHIECNJJY-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H]1CCC12CCC2	2001863646	TYEOOALPJLDCHY-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1[C@H]2CCCCC[C@H]21	2002164550	HCDAVTDVQDBDCC-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CC[C@@](N)(CC1(C)CC1)C1CCC(C)(C)CC1	2002514777	JLFIRQAISZSKAB-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CCCC2CCC2)C1	2003014813	CGCHJZNCQASFSD-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCCCC12CC2	2005562868	FXUCCUZEOKGKFV-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](NCC)C1(C)CCC(C)CC1	2007690954	BJNWORQRFWXFHI-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
CCC1CC(CC[C@@H](N)CC2CCCCC2)C1	2007737882	JKBNVHXGRVKFGG-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](N)C1=CC[C@@H](C(C)C)CC1	2010763226	KVPQPRJRCVVZDW-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](C)[C@@](CC)(CNCC(C)C)C(C)C	2012417363	SJDKRTXEPACASX-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)C[C@@H](C)C(C)(C)C	2015277575	IAXDQZLLPUXRPJ-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)C(CC)(CC)CC	2015280018	BNZUOIUQDSRNDC-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N1CCC(C(C)C)C(C)C	2015395045	VGDFMQQRUWIDDB-LSDHHAIUSA-N	239.447	4.568	0	10	BJAE	
c1cc(N[C@H]2CC[C@@H]2C2CC2)c2sccc2c1	2017041247	AAMGFWUKAAPBHG-OLZOCXBDSA-N	243.375	4.502	0	10	BJAE	
CCCC[C@@H](CC)NCC1(C(C)(C)C)CCC1	2017136527	KTUZGRBYPMEDHJ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc(OCC(C)=C(C)C)cc1	2017469601	SUMZBPGJCIOANF-ZDUSSCGKSA-N	232.367	4.935	0	10	BJAE	
CC[C@H](CN[C@@]1(C)CCCC(C)(C)C1)C(C)C	2017612297	HHIDZZJNFYMRMV-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](CO)CC(C)C)CC1	2017726701	SLHKZPUFUAHMHH-JYJNAYRXSA-N	240.431	4.638	0	10	BJAE	
CCC1CCC(C[C@]2(N)CC[C@H](CC)C2)CC1	2017732312	ZYVQYKSYCRAXTL-GRAKBVBRSA-N	237.431	4.501	0	10	BJAE	
CCCNCCCC[C@H]1CC[C@H](CCC)CC1	2017734612	RQLZZWWKEXBEBJ-WKILWMFISA-N	239.447	4.763	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2019127329	SARXISNUEAWISH-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@H]1CCC[C@@H](CC)C1	2019181336	JLOSLYHLIMVBPY-OAGGEKHMSA-N	237.431	4.610	0	10	BJAE	
CCCCCCN(C)[C@@H]1C[C@@H](C)CC(C)(C)C1	2019292000	UZTUERNNSQODHX-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@@H]1C[C@@H]1CCC	2022500705	BBWQZFGJMZERKS-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](N)CC[C@H]1C[C@@H]1C1CCCCC1	2022502187	NSFPUMJOUMRGBH-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)Cc1csc(C2C[C@@H]3CC[C@H]3C2)n1	2026532081	VTXOZUYHSSPGEL-SRVKXCTJSA-N	249.423	4.635	0	10	BJAE	
CCc1cccc(C(=O)[C@H](CC(C)C)C(C)C)c1	2028255006	MFILCGGMMGQWQR-MRXNPFEDSA-N	246.394	4.750	0	10	BJAE	
CCN[C@H](CC(C)(C)C)c1ccccc1C1CC1	2028549344	MBHCSEQUKJCRKY-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)c1ccc(C2CC2)cc1	2028598131	NRQMNDOSPHDAPJ-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CC[C@H]2C[C@H]2CC1	2028973795	XMCUQKUNMFBNTM-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CCc1occ(C)c1C(=O)CCC[C@H]1CC1(C)C	2035534658	BPEYJSNDQNZSAU-LBPRGKRZSA-N	248.366	4.550	0	10	BJAE	
C1CCCCC2(CCCC1)CCNC[C@@H]2C1CC1	2035884479	AUASWRURDJDXEB-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@H](CC[C@@H](C)c1ccccc1)NCC	2036497813	UWGKTGIRDWPQMG-NVXWUHKLSA-N	247.426	4.739	0	10	BJAE	
CC[C@@](N)(CC(C)(C)C(C)C)c1cccc(C)c1	2037126956	MIMDVJUUPCEKPG-QGZVFWFLSA-N	247.426	4.631	0	10	BJAE	
CCCCC[C@@](C)(N)Cc1ccccc1C(C)C	2037179172	IAYGRZPLAGUCMH-QGZVFWFLSA-N	247.426	4.650	0	10	BJAE	
N[C@@]1(CCCC2CC2)CCCC2(CCCCC2)C1	2040764873	JARLLCSZZXKBMH-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)[C@H]1CC=CCC1	2042025981	ZXEKKKBEGZQZAH-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@@H]1C=CCCCC1	2045683046	UWKIQMDXQXNCTQ-ZMSDIMECSA-N	246.394	4.684	0	10	BJAE	
CCN[C@@H](c1cocc1C)C1(C)CCCCCC1	2045805616	LYNNJVAPXYFVOW-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)C[C@H]1CCC12CCC2	2047930876	BMMKWGOWSMFQQG-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@H]1[C@H]2CCC[C@H]21	2048377012	OXTNCTAGFZMGPL-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
C=Cc1ccc(OCC2CCCCC2)cc1C	2049395077	LCXMFVZVCYGLGO-UHFFFAOYSA-N	230.351	4.597	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CC2CC3(CCC3)C2)C1	2049494990	HDWDBJDFROGUCP-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC2CCC3(CC2)CC3)C1	2049966690	ZNSULFFUAGBGBK-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@]1(C)C=CCCC1	2049999548	DTKSJCZTHDOIIA-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC[C@H]3CC[C@H]32)cc1	2052287198	VIMIGUFUNNZPFI-USXIJHARSA-N	243.394	4.630	0	10	BJAE	
CN[C@@H](C[C@H]1C=CCCC1)C1(C)CCC(C)CC1	2056552725	MSYNFQSLHOEEIU-YZUHTNEWSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(C)([C@@H](N)C[C@H]2CC23CCCC3)CC1	2056559160	PMVPAPJCADURPP-PYBGIAKNSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC1CC(C2CC2)C1	2056650991	MGVOZZUCEZLXCZ-KMZOKZLKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCCC1)NCC1(C2CC2)CCCC1	2057648120	HWYLQBWVSMUHDW-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@]1(CNCC(C)C)CC=CCC1	2059250758	TZFNHIRMHZGHMC-KRWDZBQOSA-N	249.442	4.705	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)C1=CCC(C)(C)CC1	2061114179	WFNAJYSUYKQOQW-NVXWUHKLSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CC(C)(C)CC[C@@H]2C)CC1	2061115354	GSEUKOZSDWLGNH-VBQJREDUSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1NCCC	2061561678	UQNFDGZVEWFDDV-BBWFWOEESA-N	249.442	4.548	0	10	BJAE	
CCCN[C@H](CCC1CC1)CC[C@@]12CCC[C@@H]1C2	2061570729	FNKMOAKJTKXORI-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1CC(=C2CC2)C1)C(C)(C)C(C)(C)C	2061730496	IPYYYBRWZNUGKG-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C12CCCC1CCC2	2063850822	HCCCFDBOBYBJJO-GJEMEMOUSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068701985	GUUBQSSTQSVAGG-PXEOUSFJSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H](O)c2ccc(C)c(C)c2)CCC1	2069339853	OEALOLFFGVMVDR-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CCCc1ccccc1C(=O)C1(CC(C)C)CC1	2069504729	FMWTVSYUEOHFOM-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC[C@@H](CNc1ccccc1OC(C)C)C(C)C	2070274476	XIKQCIZXKOXESN-AWEZNQCLSA-N	249.398	4.568	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H](C)C2CC=CC2)CC1	2070798321	ZXJUVLNSDUAPQP-JPQBHMHHSA-N	249.442	4.536	0	10	BJAE	
CC(C)C1(CC(=O)C23CCC(CC2)CC3)CCC1	2071925265	CUQAMNKHMRAOPJ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CNC[C@]1(CC2(C(C)(C)C)CCC2)CC=CCC1	2071940234	IQFGVAJHRBAPHV-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CC(C)C1(C[C@H](N)C2CCC3(CC2)CC3)CCC1	2071951268	SSFQNWGTBXUNQD-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@@]23CCC[C@H]2C3)CC1	2072794017	PNTMAHJZZVBKDA-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(CN)CC=CC[C@@H]2C)CC1	2072799133	PNGXPNGKOULPBA-QAETUUGQSA-N	249.442	4.524	0	10	BJAE	
CCC1(CC(N)(C2CCCC2)C2CCCC2)CC1	2074631682	KWJRYOUBDSXFBY-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)C12CCCC1CCC2	2074651966	UJFBXIJPHZWGBG-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](N2CCC23CCCCCC3)CC[C@H]1C	2074801863	JKKWFAUZVKMRPW-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CC=CC23CCCCC3)C1	2074894871	FFQQAPRXARPAAL-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
CC[C@@]1(C)CCCN([C@H]2CCC23CCCCC3)C1	2075012656	KNOBGKVNAJTGIG-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
C[C@H](CN1CCCC12CCCCCC2)C1CCC1	2075166109	TYWMYXKTSJAXNT-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2[C@H]3CCCCC[C@H]32)C1=O	2076450544	NSNYUHZBVWRRBE-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CCCN(CC12CCC(CC1)C2)C1CCCCC1	2076589715	NZQGHLFIXFLJOK-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@H](CC(C1CC1)C1CC1)NCCC	2077190608	UFYIUCKRTGQUAQ-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](c1ccc([C@H](C)CC)cc1)[C@@H]1C[C@H]1C	2079225835	YAICRLFAOSIYCQ-KFZJALRRSA-N	245.410	4.507	0	10	BJAE	
CCCNCC(=C[C@@H]1C[C@@H]1C1CCCCC1)CC	2079662741	XALJYJRQTBORQW-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)CC12CCC(CC1)C2	2079865747	PGUVVXXFKOOKNI-QZWLQQCHSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H]1CCCNC12CCCCC2	2083818383	VPFKCHNVWYEACQ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](N(C)[C@@H]2CCC23CCCCC3)C1	2085285810	YEKBSKAJOJWMPA-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
Cc1cc(Cl)cc(-c2csc(C3CC3)n2)c1	2211988531	UMMKZFRSMJCEIT-UHFFFAOYSA-N	249.766	4.649	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC[C@H]1C[C@H]1CC	2215245897	IIQFIGHBZWKDBE-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](CC1(C)CC(C)(C)C1)NC	2215388008	QPWWBRPGIKQQOT-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)CC1(C)CC(C)(C)C1	2215397704	FVGNDVNCYBNGHJ-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CC1(C)CC(C)(C)C1	2215401928	SBNPNOYMOKTHFE-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCC[C@@H](C(C)(C)C)C1	2216255901	FLKPCGNXHSVCHW-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@]1(C)[C@H](N)CCCCCCCC1CC1	2216875871	VNOKKXIADLMIQX-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCCCCCC(=O)[C@H](C)c1ccc(C)cc1	2217374440	CJDCVJLIEVQVRV-CQSZACIVSA-N	232.367	4.638	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218327357	INMVGERDTJYXQF-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218329144	APXCZCRKRZFPSC-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218336108	RQCAEPZVPPNQAE-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218348895	DCLIHYGXTMFJJA-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C(C1CC1)C1CC1	2218724871	LAGLNRZENQIUSL-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
C1CCCC2(CC1)CCN(CCCCC1CC1)C2	2220017748	WLRCXRKEIBSEQM-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCN[C@H](CCCCC1CC1)c1cc(C)c(C)o1	2220027110	FORYNTWQDQPJMU-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
NC1(CCCCC2CC2)C[C@H]2CCCCC[C@@H]2C1	2220040118	LHXDWGDOMZKSSQ-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@](N)(CCCCC1CC1)c1ccccc1	2220045504	NYVQJXXIFWSDGW-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1cccc(C2CCC2)c1	2220931976	HQMCOVHBWFKGBQ-CZUORRHYSA-N	243.394	4.802	0	10	BJAE	
CCN[C@H](CC1(C)CC(C)(C)C1)[C@H]1C=CCCC1	2221017130	SJLNUEJSFQEEHF-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CN[C@H]([C@@H]1CCC[C@H](C)C1)[C@@]1(C)CC=C(C)CC1	2221622204	HKNNRMRXIWYVMG-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@@H]1C)[C@@]1(C)CC=C(C)CC1	2221629134	YPEUJJQYAFTLQC-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@H](NC2CC3(CCCCCC3)C2)CC1	2221669496	XVGNBJFFLZBOFW-OAHLLOKOSA-N	247.426	4.578	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NC[C@H]2CC=CCC2)C1	2222265550	KEMFELWMYFSYQT-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@]12CCC[C@@H]1C2	2223112478	FFDKWGFNAPQSHK-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](N)c1ccc2occc2c1	2224162872	PXHHZNKTNGADPD-MLGOLLRUSA-N	245.366	4.505	0	10	BJAE	
CCC[C@H](CC)C(=O)CC1(C)CCCCC1	2244774738	IPOUMCBGLURAFT-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cc(C(F)F)cs1	2244784126	MPXLROUUJPNWGX-QMMMGPOBSA-N	246.322	4.695	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2(C)CC(C)C2)CC1	2246519715	OQOYJWNPMXYULY-BHDPWAOGSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(NCC[C@@H]2CCCCC23CC3)cs1	2246650742	QQOPIPKNMGKMHW-ZDUSSCGKSA-N	249.423	4.829	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](O)CCC(C)(C)C)C1	2246724159	CFVMRKRQPJSPOU-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](O)C2CCCCC2)C1	2246731719	YJYDTRGICCBRGP-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(N)(CC2=CCCCC2)CC1	2247509136	FWRAZNMTGMTFDJ-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C[C@H]1CCCC12CC2	2247657091	XDSQBMOQUMCGEV-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCN(CCCCC[C@@H]1C[C@H]1C)[C@H](C)C(C)C	2248836667	AHUMRJDOWBMKAU-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
CCCC(N)(CCC)CCCCC[C@H]1C[C@@H]1C	2248879337	MEZGZLLDCNVVJJ-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@H]1CCC=CCCC1	2250354037	ZTBOLIIZDXNKNQ-OWCLPIDISA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](CC)CN[C@]12CCCC[C@H]1CCC2	2250385539	GWFNUDMJFBBNAR-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCC1(C)CN(CC[C@@H](C)CCCC(C)C)C1	2250469831	TUOAXSFAHIQWRO-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CNCC(C)(C)CCC[C@H](C)CCCC(C)C	2250475885	UDGBEWKHDQUICF-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](CC2=CCCC2)C1=O	2251706375	CVEUBOMARWVQBY-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CCCC1([C@H](N)CC[C@@H]2CCCCC23CC3)CC1	2253839130	LZDXAQOKDDWIMD-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)CC1CC2(CCCC2)C1	2254111467	YCMRRVUFNQHFBH-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CC1(N)CC(C2CCCCC2)C1	2255012677	JMELAEJSSNXSFJ-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccccc1OC[C@H]1CCC1(C)C	2255016757	KLPOMPILDCIWGM-CYBMUJFWSA-N	246.394	4.799	0	10	BJAE	
N[C@@H](CC1=CCCCC1)C[C@@H]1CCCCC12CC2	2255065479	VZDGDIHZTATXTQ-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CCCCc1ccc(O)c(CC2=CCCCC2)c1	2255184942	LLHAUQBETOYOKI-UHFFFAOYSA-N	244.378	4.778	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)C[C@@]12CCC[C@@H]1CC2	2260576748	ATXAKUZUMRMIEF-PXAZEXFGSA-N	248.410	4.598	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@@]23CCC[C@@H]2CC3)CC1	2260587304	MFJUSMUYSXAGIJ-LXJVZLBISA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](C[C@@]23CCC[C@H]2CC3)NCC)CC1	2260589446	YGRGRBMCHBJJKY-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@]23CCC[C@@H]2CC3)CC1	2260655926	DURLJVZGOFHGPH-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@H](C)CC1CCC1	2298852296	RQQYJMXQPLEEHT-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H]1CCC(C)(C)CC[C@@H]1O	2300687461	CLPIOSHUKYSXJK-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC(=CC[C@H](C(C)C)[C@H](C)O)CCCC(C)C	2300868966	DPCZJSXRTNYJMR-JKSUJKDBSA-N	240.431	4.802	0	10	BJAE	
CCC(C)=CC[C@H](N)c1ccc(C(C)C)cc1	2300876882	LCRBTTBJCJVZOQ-INIZCTEOSA-N	231.383	4.556	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@@H](CC=C(C)CC)C1	2300896078	FBPPWNPMYWTNON-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC[C@]1(CC=C(C)CCCC(C)C)CCCN1	2300913470	GTGBQVTYRSBPPH-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(=CCC(=O)[C@@H]1CC[C@@H]1C)CCCC(C)C	2300920829	KGOURDMMRSQXIY-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
CCCCC(=O)CC[C@@H]1C[C@H]2CCC[C@H]1CC2	2301148047	PZFJFIPOEWWPHY-SOUVJXGZSA-N	236.399	4.742	0	10	BJAE	
CCC1(C)CCC(O)([C@@H](C)[C@H](C)C(C)C)CC1	2301859340	PBMPYDCVEAIZFY-QVOMUQBLSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](C)[C@H](CC)CCCC1=CCCCC1	2302325324	GMIWEFMKEWDWFT-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
Clc1ccc(NCC[C@H]2CC[C@@H]2C2CC2)cc1	2303163124	YTQKGVOUXMVVDD-IUODEOHRSA-N	249.785	4.578	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)C[C@@H]1CCC(C)=C(C)C1	2303519312	DEGFPCISYJBLKP-OWCLPIDISA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC)CCC[C@H](C)C1	2307763595	NNNQGRDJZAUGSG-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H](C)C1CC(C)(C)C1	2307898731	MJFLRFFIQBPCTG-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C12CCC(CC1)CC2	2307901745	ZIJYMAHTXXCJNW-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309184920	NZQPLFJBTDBMJN-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@H]1C[C@@H]2CC[C@H]1C2	2312952592	KNKOWSYOKDEQEN-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c([C@@](C)(O)CCCC(C)C)c(C)c1	2315911746	ZVZJKKVWMAXWLI-KRWDZBQOSA-N	248.410	4.646	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2)C(C)(C)C	2317214899	SQICZIREVXTFFC-YJNKXOJESA-N	248.410	4.620	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@@H]1CCC[C@@H]1C	2317562071	PLGJAASXIQHFJW-AAEUAGOBSA-N	245.341	4.525	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CCC1CCCC1	2317573974	VIBHXRQYDDCJDN-UHFFFAOYSA-N	245.341	4.669	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H](C)[C@@H](C)C(C)C	2317827948	OSRVBJMMZOSNKE-UONOGXRCSA-N	246.394	4.921	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H](C)C1CCCC1	2317914538	DCZCGVZGICQGNJ-GFCCVEGCSA-N	249.373	4.940	0	10	BJAE	
CCCCC1CC(N)(CCCC2=CCCCC2)C1	2318543762	SCYYTMNOCLZIOL-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CC1CC2(C1)CC(C[C@@H](N)CCCCC1CC1)C2	2318873519	AGPKNZNDXILTDX-LYOOIAODSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)CC[C@H]2CC[C@H]2C2CC2)CCCC1	2319699853	MCJWVSHJSWCCNH-HOCLYGCPSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CCCC[C@@H]2C(C)C)CC1	2320395377	DPVVOMNMUAWYAS-DLBZAZTESA-N	249.442	4.633	0	10	BJAE	
CN[C@@H](CCC[C@H]1CCC(C)(C)C1)c1ccco1	2321645671	QHPVHEQJNOBKIA-KBPBESRZSA-N	249.398	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1cccc(C(C)C)c1F	2327764455	DVZRBPGIKLOFMG-CHWSQXEVSA-N	249.373	4.797	0	10	BJAE	
CCC[C@H](CC)CC1(O)CC(c2ccccc2)C1	2328196589	MVWYDGXPGJAFFO-OOHWJJMZSA-N	246.394	4.512	0	10	BJAE	
Fc1ccc(NC2CCCCCC2)cc1Cl	20429957	MBGYJSYDXKJUEV-UHFFFAOYSA-N	241.737	4.614	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2CC=CCC2)cc1	20557371	WQFXTLNRSRHGJM-AWEZNQCLSA-N	229.367	4.578	0	10	BJAE	
CCCCCCN[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	20565224	VWGCDZLYXPUMPG-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](Nc1ccccc1F)c1ccc(C)cc1	21797244	HBLQEUJZXKYJEI-OAHLLOKOSA-N	243.325	4.697	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)[C@@H](C)CC)cc1	35469139	HPPSOBGKKNWCLV-XEZPLFJOSA-N	233.399	4.507	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)C(CC)CC	36820067	FQZYKBHJRWMRDS-KRWDZBQOSA-N	247.426	4.897	0	10	BJAE	
Cc1cc(-c2cc3ccccc3s2)ccc1O	65340450	LAZSVQJDISMAMP-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](CC)C1CCCCC1	69378877	BNQHBEYMTKXQKO-HOTGVXAUSA-N	239.447	4.904	0	10	BJAE	
CCN[C@H](CC(C)C)c1cc(CC)ccc1CC	70535842	FSTVLRZPMYCLDB-QGZVFWFLSA-N	247.426	4.508	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccc(C)c(Cl)c2)C1	70747680	VSOYCXSVWZKADC-VXGBXAGGSA-N	237.774	4.639	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1ccc(C(C)(C)C)cc1	75792336	GFLLQXOXKFUBEA-OAHLLOKOSA-N	247.426	4.810	0	10	BJAE	
Clc1cccc(Nc2ccccc2Cl)c1	82715120	KFVVVYNZJNIHIR-UHFFFAOYSA-N	238.117	4.737	0	10	BJAE	
CCCC1CCC(C(=O)c2cccs2)CC1	83780182	NJZKSNHGWRDWIS-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
CCN[C@H](C1=CCCCC1)C1CCCCCCC1	86579489	WXILHMVNKQIQMW-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1Cc2ccccc2N1	86649791	UWOACFOIDXZCIP-UKRRQHHQSA-N	231.383	4.630	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@H](C)CC2)cc1	86879135	DVYGWEAXCQIRHQ-ZFWWWQNUSA-N	231.383	4.630	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(c2cccc(C)c2)CC1	86951361	JMWSXDRLAPLPGS-NVXWUHKLSA-N	246.394	4.563	0	10	BJAE	
CC[C@H](CC[C@H](C)N)c1c(C)c(C)cc(C)c1C	107657854	PTTWJSQWHDZCQZ-XJKSGUPXSA-N	247.426	4.541	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)c1ccccc1	109724418	WHMGCMYPPDIWAX-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
Cc1ccc([C@@H](C)NCCC2CCCC2)cc1C	109896896	PUHAHYBYSMGVDR-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CCC[C@@H](CC)NC1CCC(C(C)(C)C)CC1	109944952	OPDHTEWWJQXTFW-SHARSMKWSA-N	239.447	4.760	0	10	BJAE	
CC(C)NCC1(CCC(C)(C)C)CCCCC1	110200523	JBQJZZFCPDNZLK-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@@H](C)CCC	124900711	PYNTZBXOAPJCGQ-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCC1CCC(c2ncc(CC)s2)CC1	132139214	YFDCHZQAZZDHIE-UHFFFAOYSA-N	237.412	4.779	0	10	BJAE	
N[C@H](CC1CCCC1)c1cccc(C2CCC2)c1	133617137	FELGBPQDCDLJQK-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)[C@@H](C)CCC	161079919	VKMHNQDAEBBYTA-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@](C)(CNCCC)C(C)C	164369424	OJCRGESOFOCCSG-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCCN[C@H]([C@@H](CC)c1ccccc1)C(C)(C)C	164676418	OYJNHUNSUIUZFQ-JKSUJKDBSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1ccc(C)c(C)c1	165800622	XBRFPSGWSVDZDD-GDBMZVCRSA-N	244.378	4.703	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)C1CCCCCC1	167927955	PNRGBHMQVFFQJO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C=C(c1ccc(C)cc1)c1cccc(Cl)c1	211748584	SQRBLIGIBPMYRL-UHFFFAOYSA-N	228.722	4.710	0	10	BJAE	
CCC[C@@H](C)CC(C)(C)[C@H]1CC[C@@H](C)CC1=O	222543268	GNTWBPDZZLJZSE-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)C(C)(C)CC	228728828	ZHFSFFXDIMOBAL-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCCc1ccc(NC/C(C)=C/Cl)cc1	231997926	NFUMJYHVLWWQSI-ZRDIBKRKSA-N	237.774	4.584	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H](C)c1ccccc1	232998813	CKKMWHLFPKJEQW-HUUCEWRRSA-N	246.394	4.966	0	10	BJAE	
CCC[C@@H](CC)Nc1ccccc1SCC	233284707	XIJUBMYDEMYGNH-GFCCVEGCSA-N	237.412	4.789	0	10	BJAE	
CC[C@H](C)c1csc(-c2cc(C)ccc2F)n1	233999206	HMJKULQFCJSDBW-JTQLQIEISA-N	249.354	4.771	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CN[C@@H](C)C2CCCCC2)C1	235394790	DQQITTCKAJQWPC-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](c1ccc([C@H](C)CC)cc1)[C@@H]1C[C@H]1C	251396398	YAICRLFAOSIYCQ-BQGCOEIASA-N	245.410	4.507	0	10	BJAE	
CC(C)C[C@H](C)C(C)(C)[C@H]1CC[C@@H](C)CC1=O	304580198	YHZQSYPVMWEOLT-RDBSUJKOSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1/C=C/CCCCC1	306041889	UGSPPDFMJDFEKJ-LSALWYQZSA-N	237.431	4.824	0	10	BJAE	
CC[C@H]1CCc2[nH]c3ccc(C(C)C)cc3c2C1	307989011	UEPLWLWRUUEMBT-LBPRGKRZSA-N	241.378	4.806	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@H]1CCC[C@@H](C)C1	308055740	OFYFWVTYNGTTPV-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)c1csc(C)c1	308066504	XRGYCCLZJJWMCK-GXTWGEPZSA-N	239.428	4.519	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@H](CC2(CC)CCC2)C1	310106227	CXPQDYYFMQLOMR-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)C[C@@H]1CCC[C@@H](C)C1	310125595	JCDHHRUDIURALP-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c([C@H](N)C(C(C)C)C(C)C)c(C)c1	310615360	BKTIXPJVPSJZRW-QGZVFWFLSA-N	247.426	4.540	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1[C@H]2CCCC[C@H]21)C1CCCCC1	311078432	NVYXUVMODRHWMB-UTXMOHQDSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)c1occc1C	311177586	WVXFVAFTBGGZQN-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CC(C)CCC[C@]1(O)CCCC12CCCCC2	313042157	LUVGBCIJPXHMAU-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)cc1)C1CCCC1	313420115	ZEZARYOJOUWEFZ-MRXNPFEDSA-N	231.383	4.766	0	10	BJAE	
CC[C@@H](Nc1cccc(C(F)F)c1)C1CCC1	322221965	AKIKTBFCRCOMIH-CYBMUJFWSA-N	239.309	4.615	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC1CCC(C)(C)CC1	380154583	JJCHQQSQHBQVEJ-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)C(=O)CCCCCC(C)C	383181377	UZEVRALNHXJPEC-CYBMUJFWSA-N	212.377	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2CCC(C)CC2)C1	383604667	RDRGVANJXIEQEF-GYTBAZASSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@]2(O)CCCCC2(C)C)C1	383641702	ZZZMVCPAGSCJCF-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@@H](C)CC	383790996	LUHGXXPUFLPSRR-BBRMVZONSA-N	233.399	4.507	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)c1ccc2ccccc2c1C	384343116	CLWLPVKZTQOXSV-SJKOYZFVSA-N	242.362	4.618	0	10	BJAE	
CC[C@@H](C)C[C@H](N)c1ccc2ccccc2c1C	384737331	QGXOQLFNSHALHE-PXAZEXFGSA-N	241.378	4.584	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCC(=O)c2ccccc2)C1	385289587	ONJNOLHSKITNBZ-CABCVRRESA-N	244.378	4.866	0	10	BJAE	
C1CC[C@H]([C@H]2CCC[C@H]2CCC2CCCC2)NC1	386003029	KYLVBNNCRFLNCU-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)[C@H](C)NCC1(C)CCCCCC1	394601613	DEZTUCWNDCQOKB-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
COc1ccc2c(C(F)F)c(Cl)sc2c1	396289966	PUFDBVOBPUZOLZ-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
Cc1cc(C(F)(F)F)c2c(S)csc2c1	396294933	FTCBALMIAVIQMT-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CSc1cc2ccsc2c(C)c1C(F)F	396411258	STNDMLNFAPTYNI-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CSc1c(C(F)F)sc2ccc(C)cc12	396413395	XUEYRKYWIPCRBQ-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@H](Nc1c(C)cccc1F)[C@@H]1CC1(C)C	397828010	WKXJFAMAVYTYAB-JSGCOSHPSA-N	249.373	4.761	0	10	BJAE	
CCC(CC)[C@H](C)NC[C@@H]1CCCC[C@H]1CC	401969359	XVTUZCVWSAKTBD-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CCC(C)(C)C1CC1	405769310	ZFXQIYTUQABIDL-OAHLLOKOSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@H](CC)CC(F)F	688708482	JOGBPPZITLECAF-TZMCWYRMSA-N	249.389	4.603	0	10	BJAE	
CC(C)c1cccc([C@@](C)(O)C2CCCCC2)c1	688941163	WTYBAJZZGXSKOH-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
Cc1cccc(F)c1N[C@@H](C)CC1CCCCC1	689720752	TTYZDZZUBDQADV-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CC(C)(C)c1cccc([C@@H](N)CC2CCCC2)c1	691649931	HMUWTHGTIVGLEN-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)CCCC2CC2)c1	691677293	FRTBUSSOIPPIEA-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CC(C)CC(=O)[C@@H](C)c1ccc(C(C)C)cc1	695063546	OIVUBQINWSPFOP-ZDUSSCGKSA-N	232.367	4.529	0	10	BJAE	
CC1(CNC[C@H]2CCCC3(CC3)C2)CCCCC1	695715114	CUHDLIFYWGTZKD-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
C1CCCC(NC2CCC(C3CCC3)CC2)CC1	696075634	GVWXKBLWORIFSS-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC[C@@H]1C1CC1)C1CCCCC1	696105881	RKQGLJIPMVXDFJ-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC([C@H](O)CCC(C)(C)CC)CC1	696571474	JTIBCWXYNZYIGR-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCCC[C@@H]1C1CC1	696727136	LITDNTVDTQROMK-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCC1(C(=O)CC(C)(C)C(C)(F)F)CCCC1	697031174	KXWMWGHIEMFWKF-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)CCC(C)(C)C	697759997	CILPCQGAGNESCJ-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CCNC[C@]1(CCC=C(C)C)CCCC[C@@H]1C	698031070	BKLNNVBDDHBDMC-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@H](C)Nc1cc(C(C)(C)C)ccn1	699605216	JMOPYDRAVYASEC-ZDUSSCGKSA-N	248.414	4.760	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC1C(C)(C)CCC1(C)C	699625803	NXUCBBSIHGAVNY-GFCCVEGCSA-N	239.447	4.616	0	10	BJAE	
CCC1CCC(N[C@H](C)[C@@]23CCCC[C@H]2C3)CC1	709143340	AKPOSIOBFFGEPG-XRQWDYAESA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(N)CCC(C)(C)CC1	709148711	UTQIGZZSNYXOML-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CCCCF)C[C@@H](CC)C(C)(C)C	711074219	UEFXEEGHZDZZBJ-KGLIPLIRSA-N	245.426	4.567	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@@H](C)C(C)(C)C)C1	711207547	LNAHAKZNYSHRCD-MGPQQGTHSA-N	238.415	4.700	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)c1sccc1C	713700832	JXHRPRHSHZTNJQ-LMVHVUTASA-N	249.423	4.620	0	10	BJAE	
C[C@H]1CCCC[C@H]1c1nc2cccc(Cl)c2[nH]1	714409351	GQTOATRTGLQKJN-VHSXEESVSA-N	248.757	4.510	0	10	BJAE	
CC/C=C/[C@@H](C)Cc1ccc(CCC)cc1	714565526	GXZRNGUNBATWSC-IZPAUZPXSA-N	216.368	4.784	0	10	BJAE	
CCCC1CCC([C@H](N)C2CC3(CCC3)C2)CC1	717545136	KZDDRMYULAWITB-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1C[C@H]1CC)NCC	723096229	SBFMMHWHNXAORZ-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CNC1CC1)C1CCCCC1	829256042	PLCCHBUXKKYDBP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(S[C@@H]2CCC[C@H](C)C2)c(C)c1	1164595737	GNACTNVHNJVLMH-SMDDNHRTSA-N	234.408	4.974	0	10	BJAE	
Cc1ccccc1N(C[C@@H](C)CC(C)C)C(C)C	1307566611	HXLCPFHYJKYZSH-HNNXBMFYSA-N	247.426	4.892	0	10	BJAE	
c1ccc(CSC[C@@H]2CC3CCC2CC3)cc1	1458895311	HUXAXLDPNGYZIP-BCLQGDPASA-N	246.419	4.746	0	10	BJAE	
CCC[C@H](CC)Nc1nc2cccc(C)c2s1	1559089180	CRSCYNAKPNHJRV-NSHDSACASA-N	248.395	4.595	0	10	BJAE	
CCC[C@H](CC)SCCC1CCCC1	1651963508	DOVJDPBMIBLJGJ-ZDUSSCGKSA-N	214.418	4.879	0	10	BJAE	
CC=CCCCC[C@@](C)(F)C(C)(C)F	1893730916	DPUUEGWYPSUEPJ-GFCCVEGCSA-N	204.304	4.599	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1CCC(C)CC1	1905319442	IKHRXWDOPHOYQW-ROKHWSDSSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CC(C)=CCCNC(C)C	1905366217	LJOPPLGDGOUQMS-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCC[C@@H]1C[C@@H]1C	1908581939	JJONFHXBVOAORX-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)C(C)(CC)CC	1910148043	SOTOOZPNQWYIHS-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCNCC1(C2CCCC2)CC2(CCCCC2)C1	1912571181	MNHIQDVXVMWGIB-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H]1C[C@H](C)CC[C@@H]1CCCC(C)(C)C	1916012777	BOPLPLRSSAIUMG-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(C[C@@H](C)CC(C)C)c1ccc(C)cc1	1919891150	RQCQLRGNCMZFIF-DOTOQJQBSA-N	248.410	4.665	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CCC(C)=C(C)C	1919960607	DVJKWEXLWIKFCP-DZGCQCFKSA-N	226.404	4.700	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1CCC[C@@H](C)C1	1920183837	YBFSTSMMPLXVFH-OAGGEKHMSA-N	239.447	4.891	0	10	BJAE	
CCc1cccc(CC)c1NCC[C@H]1CC1(C)C	1921566214	ZFXCVBPOTXLCBC-HNNXBMFYSA-N	245.410	4.660	0	10	BJAE	
CCCCCC[C@@]1(CNC)CCCC12CCC2	1921612784	JREZRHNSSSOOKI-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC1C[C@H]2CCC[C@H](C1)C2	1923480270	LOGIHHXNWZPANQ-WBTNSWJXSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@H](C)C1CCCC1	1923892789	KQZCFVNMPGPFDS-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H](C)C1CCCC1	1924079975	ZUXQXRZWVPXQSM-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1C=CCCCC1	1925762406	BNEVQWVZIMFWHP-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)C1(C)CC(C)(C)C1	1925809466	ISSXQLSERFHEIC-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)c1cc(C)cs1	1939458589	NIDWQNBHUGFIKH-GXTWGEPZSA-N	240.412	4.552	0	10	BJAE	
CN[C@H]1CCCCC[C@@H]1CC1(C)CCCCC1	1940417189	VOXYYJLRSRMCBL-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC(C[C@H](N)CCC2(C)CC2)CC1	1940794385	BWABUHHXUCTUDN-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@]1(CO)CC=CC[C@H]1C	1940948955	SNSOVWGAWHPPPQ-HZPDHXFCSA-N	238.415	4.558	0	10	BJAE	
CC(=CCCCCC(C)C)c1cccc(N)c1	1940964671	CGSBSRKFMFRGNA-UHFFFAOYSA-N	231.383	4.889	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CCC1=CCCCC1	1941245220	GBEXMKOYOIYKIL-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](NCC)C(C)(C)C1CCCCC1	1944633349	ZCRNZCDNSCRQGJ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNc1cccc2ccsc12	1944838480	YOJGGUJWNZVDJR-YPMHNXCESA-N	245.391	4.749	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@@H]1CCC[C@@H]1C	1944889541	BDGPZGQQFRBNLE-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cccc2sccc12	1945970937	VBNPHCVKOVUTOW-ZDUSSCGKSA-N	248.391	4.761	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1cccc(CC)c1	1947468788	ZSHKNMFXJKOJHH-GOEBONIOSA-N	231.383	4.630	0	10	BJAE	
NC1(CC2CCCC2)CCCCCCCCC1	1947882407	YTTCTBDKADRESY-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CC1CCC(CC[C@H](O)CC2CCCC2)CC1	1949869917	MSPAJBWWPRFQAC-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@H]1CCC[C@H](CCN)C1)CC(C)(C)C	1950518077	TYRXXACGZJZDCM-RBSFLKMASA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](NCC)[C@H]1CCCC(C)(C)CC1	1950915298	ZBTAWFVYOXOTMM-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)C1(CC)CCC1	1951243327	GIGAUDNXGWPIGG-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)c1ccc(-c2cc(C=O)cs2)cc1	1951261505	PPZBOKMASKIJKJ-UHFFFAOYSA-N	244.359	4.525	0	10	BJAE	
CC[C@@H](C)N(CCC=C(C)C)Cc1ccccc1	1953230438	DYEQRIUUWDYKMK-MRXNPFEDSA-N	245.410	4.643	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1N[C@H]1CCCC12CCCC2	1964605818	INNAKQHEWDGRPD-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCCN[C@H]2CCC[C@H]2C2CC2)CC1	1967851033	KNXRWYHQJUEWRA-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCCC(C)C)cc1	1968258605	BKELOJJHACUGIF-AWEZNQCLSA-N	219.372	4.622	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](C)CCCC(C)C)c1	1968340725	CGBKMGXYACFSDZ-ZDUSSCGKSA-N	237.362	4.761	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc(F)c(CC)c1	1971991119	LNTCPEMIDVFOBT-BBRMVZONSA-N	249.373	4.769	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1csc(C(F)F)c1	1978583465	VVNBXTSJZDEZPX-JTQLQIEISA-N	248.338	4.545	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@H](C)CCC	1978638433	LYCUFWSRQZIUDS-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CC(C)CCCCCC[C@@H](O)c1cccs1	1980695839	NRBSQFMLSBXGSL-CYBMUJFWSA-N	240.412	4.778	0	10	BJAE	
CCCCC[C@@](C)(O)CC1(C(C)C)CCC1	1989442286	SLRAINRBPBOEGR-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)CC1CCC1	1990089953	SEIUEQIEIVPUMJ-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)C[C@@H](C)CC	1990093242	IWYYLHFKNBMGDY-ZNMIVQPWSA-N	227.436	4.760	0	10	BJAE	
C[C@H](C[C@H](N)C[C@H]1CC[C@@H](C)C1)CC(C)(C)C	1996247125	FXTCPEXCCHZIBV-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CCCSc1ccccc1NCC1CC(C)C1	1996575887	XHBFRYMJOSBRAH-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](C)(N)C1CCC(C)CC1	1996593018	FGBUKZWNJXGTCC-GYTBAZASSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C(=O)CC1CC(C(C)(C)C)C1)C(C)(C)C	1998240179	UJTOFKGRJYTZIN-PNESKVBLSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC[C@H]1CC(C)C	1998749838	UAHMACDKADHWDS-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H]([C@H]1CCCC(C)(C)C1)C(C)(C)CC	2000038330	OPJOOGSGWQYNLQ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccc(C)c(F)c1	2000211255	JLRXUEODDLHKFJ-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CCC12CCC2)C(C)(C)C	2001845792	XPXBEOCVSBYOSL-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](O)C[C@]1(C)CCCCC1(F)F	2002595009	WDWVZEAVLCILQH-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCCCC[C@@H]1CCCCCCC[C@H]1NCC	2003116235	HRYMXYJWFFDTGG-HZPDHXFCSA-N	239.447	4.905	0	10	BJAE	
C[C@H](CC(=O)[C@]1(C)C=CCC1)C1CCCCC1	2003322461	CGLYRSHAKAGSOY-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
Cc1ccc(NCC2(C)CC(C)(C)C2)cc1C	2003383788	CSXOGTFYMXKHFI-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H](CC)CC(C)C	2004228639	PWIDLEMDEOORMF-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCC(CCC)CNCC1(CCC)CCC1	2004719421	QVJKHBQTCPVUSQ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)C[C@H](N)C1(C)CCCCCCC1	2004920525	KUEQSIDRMHXILC-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@H]1CCCCC12CCC2	2005598137	AVBQXAABWSIARV-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C)Nc1cnccc1C(C)C	2005891317	QYGJHNOFNFMUOX-ZDUSSCGKSA-N	234.387	4.586	0	10	BJAE	
CC1(C)CCC(C)(C(=O)CCCC2CC2)CC1	2007681259	IMCPUZFBIMEOEG-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)C1(C)CCC(C)(C)CC1	2007697956	QYPAPRNHRYKQSS-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(N)CC1CC(C(C)C)C1	2007736264	BAZRHDMFVZKIAQ-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
C/C=C/CCCc1ccc(F)c2ccccc12	2009589680	BSHKNGZQDUHHAG-NSCUHMNNSA-N	228.310	4.878	0	10	BJAE	
CCCCCC1CC(O)([C@H](C)CCC(C)C)C1	2009717802	NYGSXOKKZAPOEI-QQFBHYJXSA-N	240.431	4.780	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2CC[C@H](C)C2)C1	2009788212	VNDMLBOILRGCAR-QRNKSROTSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(NCC2CC(=C3CC3)C2)cc1Cl	2011082367	GKNUWAWGPQXQCP-UHFFFAOYSA-N	247.769	4.561	0	10	BJAE	
CCc1ccc(CCC2CC(=C3CC3)C2)cc1	2011090493	RIBAUVLHDQQVPV-UHFFFAOYSA-N	226.363	4.682	0	10	BJAE	
CCNC[C@](CC)(C(C)C)[C@H](C)CCC(C)C	2012410771	JMXKKKIDUNFBFV-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CC(C)CC[C@@](C)(N)CC12CCC(CC1)CC2	2012836781	PZXJQWIKKQVJFB-HWOWSKLDSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](NC1CCCCCCC1)C1(C)CCCC1	2014340115	PHSDWESVLAXYFK-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCCC1(C[C@H](O)C(C)(C)C(C)(C)C)CCC1	2015633551	HACYAACFMNXTIV-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@](O)(CC)C[C@H](C)CC)CCC1	2015636310	WGNNQEXNLZRZSJ-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CC[C@H](C)CC2)CCC1	2015646228	XVOXMJDAONASTO-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1(CC2CC2)CC1	2015752808	JXBZKOXDDJKKBX-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1(CC(C)C)CC1	2015755253	PIIJJTMSXNVVIA-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C(C)(C)CCF	2016758993	DRCINDDQXYBPRB-CQSZACIVSA-N	245.426	4.567	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1(C(C)C)CCC1	2017122861	FZUNMXNBEVYIKJ-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C1(C(C)(C)C)CCC1	2017137532	YBLZVWCTEDZCPS-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CC[C@H](C)CC1)C1CCC1	2017722019	NCSCVMTXLFPFTL-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C=CCCCCC1	2018079996	CEVCROFJFYBJAI-JKSUJKDBSA-N	237.431	4.824	0	10	BJAE	
CCCCC[C@H](CC)NCC1C(C)(C)C1(C)C	2018137961	AQXNHMHJZPFSNI-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@]2(O)CCCC[C@H]2C(C)C)CC1	2018980023	LXUCBLNCZSGATQ-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC1CC1)CC1(CCC)CC1	2018991982	ZBXLIVZNLHTULV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](N)CC2CCCCCC2)CC1	2019006628	ROKUXMQBIBQCBN-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCCCCN(C)[C@@H]1CCCCCC12CC2	2019289980	FVEREGNCADDITF-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CC[C@H](C)CCN(C)C[C@H]1CC[C@H](CC)CC1	2019476276	WUJXGPIPMBPRCQ-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
CCC[C@](O)(C[C@H](C)C1CCC1)C1CCCC1	2019767479	LRGADWDZXIOOHH-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1ccccc1C1CC1	2021026307	QAKFMJWCXGBWFI-IUODEOHRSA-N	229.367	4.555	0	10	BJAE	
CC(F)(F)CCCC[C@H](O)CCC1CCCC1	2023306019	FVBRDNDSBKXVQI-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H](C)CC(C)C	2023340844	XQTBNHBKVLWKPL-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CC[C@](O)(CC1CC1)C[C@@H]1CCCC(C)(C)C1	2024123582	MEJVHVFNJPGOOG-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@H]1CC(C)(C)CC[C@H]1NCC	2024126386	WSZZFRMAQBKAHQ-SJKUQHEZSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C1C(C)(C)C1(C)C	2026079431	AGICYBLMMOZERK-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1C[C@H]2CCC[C@H]1C2	2026234725	DCXATUOZYCDEIE-SLEUVZQESA-N	249.785	4.639	0	10	BJAE	
CC[C@H](C)Cc1csc([C@H]2C[C@H]3CC[C@H]2C3)n1	2026531102	JVQSFIQMYUTOKF-MNXVOIDGSA-N	249.423	4.635	0	10	BJAE	
CCc1cccc(CC)c1N[C@@H]1CCCC[C@H]1C	2027005555	SNIDPHPPJZTWSS-CZUORRHYSA-N	245.410	4.802	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H](CCC)C(C)C	2028265351	RPHFQVLHDZLWLS-DLBZAZTESA-N	247.426	4.800	0	10	BJAE	
CCC(CC)C[C@@H](N)c1ccccc1CC(C)C	2028920421	JNGYWTCZWFWNBM-QGZVFWFLSA-N	247.426	4.711	0	10	BJAE	
CCc1ccc([C@@H](NC)[C@@H](C)CCC(C)C)cc1	2029838486	SMGPGSOLQGZSCS-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)c1ccc(C2CCCC2)cc1	2031747289	VNWGYSPNTGHRJY-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
O[C@H](CC1CCC1)c1ccc(C2CCCC2)cc1	2031747401	RXBZIHPKUGXVJA-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)C1CC(C)(CC)C1	2036485303	OCYGDONQWKKMQQ-CGZBRXJRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1NC1CC2(CCC(C)(C)CC2)C1	2038932179	ALVJBMYSQLEGFL-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2CCC=CCC2)CC1	2039374451	LFGJUYXBZMHXHF-GOEBONIOSA-N	248.410	4.908	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CCC(C)CC2)cc1F	2040633342	NVJDSXAMHHJJLN-QRMWWUJWSA-N	249.373	4.761	0	10	BJAE	
CN(CC1(C)CCCC1)[C@@H]1CCCC2(CCC2)C1	2041292224	FVTUCLYIWBOKQE-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@]1(C)CC=CCC1	2042023705	DSWIQRUMVOTXEP-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C)(CNC[C@@H]2CCC=CCCC2)C1	2045325486	FVKKSNQLUQCYRF-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)C[C@@H](C)c2ccccc2)C1	2045559789	DSBZBRIIKJKRIZ-KFWWJZLASA-N	244.378	4.576	0	10	BJAE	
CCCC1([C@H](NCC)c2cccc(C)c2)CCC1	2045799810	PESWKDCXURTCBY-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NC1CC2(CCCCCC2)C1	2046233874	UPPWWCLKYDKNOM-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)C1CC(c2ccc3c(c2)NCCC3)C1	2048633849	LUVRHLFKWNGPBU-UHFFFAOYSA-N	243.394	4.584	0	10	BJAE	
NC1(CC2[C@@H]3CCCC[C@@H]23)CCCCCCCC1	2049676844	XGCPWETYRYVFBP-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1CCC2(CC1)CC2)CC1(C)CC1	2049867669	WPRKNRUAVLPGLN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@@H](O)CC2=CCCCCCC2)c1	2050441639	OUQHGVAHYWOYPR-KRWDZBQOSA-N	244.378	4.699	0	10	BJAE	
CC1(CCC(=O)c2ccc(F)cc2)CCCCC1	2050495349	SNCXIFUAGPRJEZ-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H](CC)c1ccccc1	2051409704	TXTSZOOQABKXMT-IAGOWNOFSA-N	245.410	4.515	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CCC2=CCCCC2)[C@@H]1C	2055624880	NIBVQQRGWKGMNZ-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](C=C1CC2(CCC(N)CC2)C1)CC	2056618017	ATKNKRSKYHWCMR-ODIFPOPNSA-N	249.442	4.811	0	10	BJAE	
C[C@H](CCC(F)F)Nc1cccc2ccccc12	2057774950	KVTHIHCCBYPNSM-LLVKDONJSA-N	249.304	4.686	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1cc(F)ccc1C	2059249524	IKUQQZVQEYIZQH-MQDFFIGUSA-N	249.373	4.531	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C1=CC[C@@H](C)CC1	2060927373	XLJUVZCGFRHTJJ-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC1(CC[C@H](N)C2=CC[C@H](C(C)(C)C)CC2)CC1	2061079832	CJMUUTDFLFHTCR-GJZGRUSLSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@]2(N)CCC3(CCCC3)C2)CC1	2061119093	MFHXCCHMZVEVLV-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC(C)NCC1(CC[C@@]23CCC[C@H]2C3)CCCC1	2061611013	DJVRJTMRRQDAEQ-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)CC[C@]12CCC[C@@H]1C2	2061624163	WXYFLEDWUHTTKX-HYVNUMGLSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1C[C@H]1CCCC1(CNC(C)(C)C)CC=CC1	2062646731	OLEIMJNZTHVDEW-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063501228	NIZYZXOKVDEMJB-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](Nc1ccc(C)c(C)c1)c1occc1C	2063671618	MCPNWGOCZVNBHK-HNNXBMFYSA-N	243.350	4.768	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C12CCCC1CCC2	2063821712	KILNTXMDDROHEQ-DSBFIYNKSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(C[C@H]2CC23CCC3)C1	2069172955	DJADVVIJWDTHKG-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C[C@@H]1CC12CCC2	2069216053	WJJPBHHQOUTFDI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC2(CC3CC3)CCC2)C1	2069504404	AJVNTQSWVPAEML-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1(CC2CCC2)CC1	2069584837	JBUJVCWEVXYUHS-WMHVBEDNSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@]23CCC[C@@H]2C3)cc1	2070789359	KMMRTUXYPDIXAY-RHSMWYFYSA-N	243.394	4.586	0	10	BJAE	
CCNCC1(CC(C)=C(C)C)CCC2(CC2)CC1	2072411588	RBUGXUSKBIJXFL-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C[C@H]2CC[C@H](C)CC2)c1	2072803518	IWZNDPRBLUSABE-NUTKFTJISA-N	245.410	4.520	0	10	BJAE	
CCCC1CCC(C[C@H](N)C2CC3(CC3)C2)CC1	2072805392	BTILPOASYFBMRK-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CC[C@H](CCN)C2)CC1	2072810212	UPHRGVZHYPQQAD-BZUAXINKSA-N	249.442	4.668	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CCC=Cc1ccccc1	2072916026	JEKRBUAGPQGSPD-QGZVFWFLSA-N	245.410	4.634	0	10	BJAE	
CCC1CCC(C(=O)C[C@]23CCCC[C@@H]2C3)CC1	2074091011	NDHGPFDODYZGOD-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@]23CCCC[C@H]2C3)CC1	2074647594	ZCBALMZILJWGJY-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCCN1CCC2=C(CCCC2)C1	2075154692	UIMRYOSMSYSJCL-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
C(CCN[C@@H]1C[C@@H]1C1CCCCC1)CCC1CC1	2079539930	ZHMWJURUETXNTI-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CC1(NC[C@H]2C[C@H]2C2CCCC2)CCCCCC1	2079638368	CBCFMPMRLMCYIL-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)c1ccccc1C(C)C	2079840619	DANIDDKSDPDJQC-ZIAGYGMSSA-N	244.378	4.819	0	10	BJAE	
CCC1(C(=O)C[C@H]2C[C@@H]2C2CCCCC2)CCC1	2079842654	PCUASQYFECWPKX-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]2C2CCCCC2)CCCC1	2079852559	RFSBYKQXWHTBHF-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@H](N)CC1CC2(C1)CC1(CCC1)C2	2083616131	VJEVHGYXECAFIT-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)c1cccc(C)c1	2086051404	UFTWWKODQXBXSC-WMLDXEAASA-N	247.426	4.862	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)CCCCCCC1CC1	2213576442	PTVKBJKBZXZSLG-HUUCEWRRSA-N	239.447	4.760	0	10	BJAE	
C(=C/c1ccccc1)\C[C@H]1[C@H]2CCCCC[C@@H]12	2213825254	RDLRJDGBRLQXOP-UDPDWQDLSA-N	226.363	4.916	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@H]1CC[C@@H]1C	2214934389	OPKLNORXMOIOCY-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@@]1(C)CC=C(C)CC1	2215818260	QAFJCXKKLUJZBC-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC(C)C)CCCC[C@H]1C	2217153734	OAOASGHASOIALG-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218323873	ZZLMVHKQNRCWOE-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(N)CC(CC3CC3)C2)CC1	2218493699	KYBMYZKYBDKVDE-FFXHRGSVSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](C)NCCCCCCC2CC2)o1	2218718651	PXKZFBVOIRKNMC-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CC1CCC(CC2(N)CCC(C3CC3)CC2)CC1	2218896383	HWNKVCMCNPRJNW-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1ccnc(C(C)C)c1	2220886125	UECZSOYEGQCDAV-AWEZNQCLSA-N	248.414	4.832	0	10	BJAE	
CCc1occ(C)c1C(=O)CC1(C)CC(C)(C)C1	2221087387	BPTULLKNISMFJB-UHFFFAOYSA-N	248.366	4.550	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@@]1(C)CC=C(C)CC1	2221596106	AGGWIURNZPACJU-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2221639812	GFPDASWPJIVLHM-AIANPOQGSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc(C)n1C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222955553	USXBQHBBAVTRFS-ZACQAIPSSA-N	245.410	4.711	0	10	BJAE	
CC[C@H](C)[C@H](N)CC[C@@H](C)CCCC(C)C	2244871441	JLORRYAUMRUISO-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
CC(C)C1(C(=O)CCCC[C@@H]2C[C@H]2C)CCC1	2247159462	NIFZASGGVFOQTH-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@](C)(N)C1CCCCC1	2247162888	IRWWONZJSLAABQ-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
Clc1ccccc1NCC[C@@H]1CCCC12CC2	2247654248	IUXDLPZUPBIMAF-LBPRGKRZSA-N	249.785	4.722	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)C2CC(C3CC3)C2)C1	2253912017	AECVZXBTSNFPNF-LOCSVTFISA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C(=O)CC[C@@H]2CCC[C@H](C)C2)oc1C	2253930493	MXQRBBWBZZHHJX-FZMZJTMJSA-N	248.366	4.686	0	10	BJAE	
C[C@@H](CC1CC2(CCCC2)C1)c1cccc(N)c1	2254078731	WVFZTPODSGWWCB-ZDUSSCGKSA-N	243.394	4.733	0	10	BJAE	
CCC[C@H]1CCCCN1CC1CC2(CCCC2)C1	2254114180	RIWPSAKYTCWPGC-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)[C@H](C)C1CCCCC1	2255098252	ATZKBHDQQDVPIW-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc([C@H](O)C[C@@H](C)CC(C)C)cc1	2256316499	CMVTXPWQGWUCOM-WMLDXEAASA-N	248.410	4.745	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN(C)CC1=CCCCC1	2257283601	NFPCEHYJAVJJAM-NVXWUHKLSA-N	249.442	4.635	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C1CC(C2CC2)C1	2257303780	OFOPHASLEKRBMJ-IQAUEXFUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CCCCC[C@H]2C[C@@H]2C)C1	2257306831	JNZWGBSBMDRKEN-VVLHAWIVSA-N	249.442	4.667	0	10	BJAE	
CCCC1(CC(=O)C2CC3(CC(C)C3)C2)CCC1	2259450937	VUWZLLWBZRDLQY-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cccc(C(C)(C)C)c1	2259467365	XSDUAVQTXOKMAG-CJNGLKHVSA-N	247.426	4.810	0	10	BJAE	
CCCC1CC(C(=O)C[C@]23CCCC[C@H]2CC3)C1	2260584976	YNIMNKRXVLGFID-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
CCC[C@](N)(C[C@@]12CCCC[C@@H]1CC2)C1CCC1	2260644928	DWFNJZAOHFDXDA-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)[C@]2(C)C=CCC2)C1	2261262245	MCFKPGPVEUBOCT-MQBCKMQZSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](N[C@@H]2CC23CCCC3)C1	2261386519	OXWKPWLKDBQEMR-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@H]2CCC[C@@H]3C[C@H]23)n1	2297897025	DUBCGRHSUJZLIY-RFHZTLPTSA-N	249.423	4.635	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@@H](C)C1CCCC1	2300683709	MNDNFIWADRIZJW-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@H](C[C@H](CC)C(C)(C)C)NCCC	2300876709	JDULCPRDSFDNBI-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@H](CC=C(C)CC)C1	2300896076	FBPPWNPMYWTNON-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)[C@H](C)[C@@H](C)C(C)C	2301833573	SKNMBGWEQLXOMA-ZJIFWQFVSA-N	241.463	4.560	0	10	BJAE	
c1sc([C@@H]2CCC23CCC3)nc1CC1CCC1	2302258405	MQQGULYLQUTFCI-ZDUSSCGKSA-N	247.407	4.533	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CCCC1=CCCCC1	2302326838	TXPSPXDTQNWXLZ-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
OCC1(CCCCC2=CCCCC2)CCCC1	2302360359	AGDBRQHIYXCYHP-UHFFFAOYSA-N	236.399	4.600	0	10	BJAE	
CC(C)(CC(=O)CCCCC1CC1)CC(F)F	2302569280	IWILYEUNVTWJNI-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C(C)(C)C(C)(C)C)C1	2302764106	UHEOAVPYGUERGT-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2CCC(C)(C)C2)CCC1	2302766432	VHGGMZWOYOCRKZ-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@@](N)(CCCCCC(C)C)CC1	2303468620	NOJJRSAINPBVPL-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC(C)CCCc1cc(Cl)c2ccccc2n1	2304045742	JQTNMNOPJZMUDB-UHFFFAOYSA-N	247.769	4.867	0	10	BJAE	
CCCC[C@H](C)C(=O)C12CC(CC(C)C)(C1)C2	2304432687	WVYOFOYRVNDQHN-JEYLPNPQSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1C(C)=CCC[C@@H]1C	2307839272	WYQPQMODWWNUIB-YHUYYLMFSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC[C@@]23CCC[C@@H]2C3)C1	2310379955	LCTAELAXLMQVSQ-KLZNWCGWSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@@]23CCC[C@@H]2C3)CCCC1	2310881037	JMRCNHXPMALBBQ-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2313292555	RLNLBXKRUCKXBC-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CNCCC1=CC=C(C)CCCC(C)C	2316566080	UAQHADBHUGVKIV-INIZCTEOSA-N	249.442	4.705	0	10	BJAE	
CC[C@H](C(=O)[C@@H](C)[C@H](C)C(C)C)c1ccccc1	2317911209	JUNQZRDEVHVYJP-YCPHGPKFSA-N	246.394	4.678	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@H]1CC[C@@H](C)C1	2317927284	JILUJOFRISPGIC-CHWSQXEVSA-N	249.373	4.797	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](CCCC1=CCCCC1)NC	2318537358	FBQUTYJQBADTBA-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@](N)(C[C@H]2CCCC(C)(C)C2)CC1	2320265318	HXGLPJVSMHAOHU-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2C[C@@H]2C)CCC(C)=C(C)C1	2320395557	WXVQSYNSSIBAMS-HJWJTTGWSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CCNC[C@H]2C=CCCCC2)C1	2321614757	YSWGLZVGHOJKLO-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)CCC(C)(C)C)c1	2327673728	SJUSETTXXGQZGL-MRXNPFEDSA-N	247.426	4.945	0	10	BJAE	
CCC[C@@H](C=C1[C@H](CN)CCCC12CCC2)CC	2328085269	MENABJUZYJHHOB-GJZGRUSLSA-N	249.442	4.668	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccc(C2CC2)cc1	2328183496	MLIIDEGPNPKZFS-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)CCc1cccc(C)c1	2328282537	PXMRYMSAMPQDLZ-DOTOQJQBSA-N	248.410	4.505	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccc(C(C)(C)C)cc2)C1	20558523	YBXJPXGYSJJUQA-XJKSGUPXSA-N	245.410	4.975	0	10	BJAE	
c1ccc2c(c1)Cc1cc(NC3CCCC3)ccc1-2	21016965	QUHGOBLDAXFTFF-UHFFFAOYSA-N	249.357	4.612	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1Nc1cccc(F)c1	22154336	PKJVWXVSUPYTSU-HUUCEWRRSA-N	249.373	4.843	0	10	BJAE	
Cc1cccc([C@@H](C)Nc2cc(F)ccc2C)c1	37212672	AXRILOPDVQQKMT-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCC[C@@H](N[C@H](C)CC(C)C)c1ccccc1	37255681	AXYZLYXZPLZYOM-NVXWUHKLSA-N	247.426	4.942	0	10	BJAE	
CCCCCC(=O)c1cc(Cl)ccc1Cl	37378100	JNNDPQLLAUZPRQ-UHFFFAOYSA-N	245.149	4.756	0	10	BJAE	
CCC(=O)c1cc(C)c(-c2cccc(C)c2)s1	42732122	SIWPYDGJOOGAPN-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
CC1=C2CC[C@]2(C)[C@H]2CC(C)(C)C[C@H]2C1	59353069	FBSBGGJQVUYUDB-ZLDLUXBVSA-N	204.357	4.559	0	10	BJAE	in-vitro
CCCC[C@@H](CC)Nc1ccc(F)c(C)c1	68987671	ACHNSFVMRUMAGC-GFCCVEGCSA-N	223.335	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](C[C@@H]2CCNc3ccccc32)C1	71158323	UPSXFSRPURHJFG-ZNMIVQPWSA-N	243.394	4.802	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC[C@H](C)[C@@H]2C)c1	85085473	ADTNTLUDPWQUCA-AEGPPILISA-N	231.383	4.540	0	10	BJAE	
CC[C@H](C)c1cccc2cc(C(=O)C3CC3)oc12	88071827	VNOYPHRUOFUUAB-JTQLQIEISA-N	242.318	4.539	0	10	BJAE	
CC(C)(C)NC[C@H]1CCC[C@H](C(C)(C)C)CC1	89556677	HXTCHGQYPHXBCN-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(Cc2cc(C)c(C)cc2C)c1	106961132	KKACWRJURUYPSV-UHFFFAOYSA-N	238.374	4.820	0	10	BJAE	
CC1CCC(c2ccc(C[C@H](C)C#N)cc2)CC1	112973816	XDCWHNRKABLOSD-BBBYJDLNSA-N	241.378	4.682	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@@H]1CCCC[C@@H]1CC	113692318	PJQBZIRXYZEEMB-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](O)CC1CCCCCC1	124288363	LHQOAUVTYGALQH-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc(C2CCC2)cc1	125636013	ULIYGZKZXKXVOP-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CC[C@H](C)COc1cc(C(C)C)ccc1C	130428931	KBQAJQHHGAXWHP-LBPRGKRZSA-N	220.356	4.543	0	10	BJAE	
CCCCC[C@@](C)(O)c1ccc2ccccc2c1	132855380	QLNCGCNWSUONQZ-QGZVFWFLSA-N	242.362	4.628	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@H](C)c1ccc(C)cc1	159898401	STGMBWQVQBHKQZ-UNEWFSDZSA-N	247.426	4.860	0	10	BJAE	
Cc1cccc([C@H](C)NC2CCC(C)(C)CC2)c1	160179341	FKDCZJDRAQBPNO-AWEZNQCLSA-N	245.410	4.614	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)c1ccccc1C	161332175	CUVISUWLZFLKNP-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)c1ccc(C)s1	164302756	FOZZSRSLXIGWSB-DGCLKSJQSA-N	239.428	4.533	0	10	BJAE	
CCN[C@H](c1cc2ccccc2s1)C(C)(C)C	164683311	BZWXAKUBWPHDPP-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
CC1CCC(C(=O)CC2CCCCCC2)CC1	165965187	DVAHEWKHZTZZHJ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H]1CCC[C@@H](CC)C1	226995815	PEZHPMWOXWIXDD-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CC[C@@H](N)c1ccccc1	227161443	FJSBTJZTHZCYGT-ZMSDIMECSA-N	245.410	4.683	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CCC[C@@H](C)C2)n1	228578622	RVSQSVQEXUXKDL-GRYCIOLGSA-N	237.412	4.950	0	10	BJAE	
CCN[C@@H](C(CC)CC)[C@@H](CC)c1ccccc1	228686132	URMPGSBRBDCLFX-IRXDYDNUSA-N	247.426	4.595	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CCC1CCCC1	229175174	YEIJZWWQAMJEQM-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)C1(N)CCC(C(C)(C)CC)CC1	233273669	XVAIURDVWHLJSU-VQCLRJIVSA-N	239.447	4.747	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2c(C)cccc2F)C1	235398829	BFLNKKOMIHYXLI-SMDDNHRTSA-N	247.357	4.538	0	10	BJAE	
C[C@H]1CC(c2ccc3c(c2)NCCC3)C[C@H](C)C1	235693219	MAFMGFDUPQAULQ-CHWSQXEVSA-N	243.394	4.584	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCC[C@H]1C	251388260	STZRQTLARZMJPA-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	253199686	WQKJQBGALRXGDH-NHAGDIPZSA-N	244.378	4.558	0	10	BJAE	
CCCC[C@@H](C)NC[C@@H](c1ccccc1)C(C)C	300455135	ZTSRKBBLNDFUQP-NVXWUHKLSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@@H](C)CC(C)C	300945011	PDBJCRXUPJLQIP-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(CCC)cc1	304198266	FYLBPPZXDRCIJM-ZDUSSCGKSA-N	232.367	4.648	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1cc2ccccc2s1	304537420	RSTYCBKBDCHRCW-LLVKDONJSA-N	246.375	4.766	0	10	BJAE	
CC(C)C(Nc1cccc(Cl)c1F)C(C)C	304582024	SOJUALUUBPNIBK-UHFFFAOYSA-N	243.753	4.572	0	10	BJAE	
CCOc1c(Cl)sc2c(Cl)cccc12	306849490	NJLJLOXKXFWYQK-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCc1cc(Cl)c2cc(Cl)sc2c1	307315255	XFPBNSCJPNWVMB-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CSc1csc2cc(Cl)cc(Cl)c12	307564330	DFUJAQSCIVPLPR-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCC1(CC(=O)c2ccc(Cl)s2)CCC1	308890239	HGWBEHJBVXQPAE-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCCc1nc(-c2ccccc2)c(C(C)C)s1	310250907	XYANZYDZDWANOA-UHFFFAOYSA-N	245.391	4.886	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2CCC[C@H](C)C2)CC1	310388326	IISZFJLKCHTNBG-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
C[C@H]([C@@H](O)c1ccc(C2CCC2)cc1)C(C)(C)C	310639524	ARWTZTTYNXRBTN-MLGOLLRUSA-N	246.394	4.670	0	10	BJAE	
Cc1cc(N)c(N[C@H](C)CCCC(C)C)cc1C	310693944	SWLSEGHRRXFNTD-CQSZACIVSA-N	248.414	4.512	0	10	BJAE	
CCNC[C@]1(CCC2CCCCC2)CC=CCC1	316833804	LVQMBNYTPKQXKS-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC(C)C)CCC[C@@H](C)C1	317706178	HQEWEJSYEQJNTF-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@]1(CNC(C)C)CCC[C@@H](CC)C1	317710873	IDLXFELHXQCCJG-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CNCC1(CC2(C)CCCC2)CCCCCC1	317716956	MQPRIRGPUXVDJF-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cccc(C)c1Cl	320259823	ZCXHYDGTDSPOKS-KOLCDFICSA-N	238.758	4.513	0	10	BJAE	
CCN[C@H](CC/C=C\c1ccccc1)CC(C)C	324263289	JTXPCRFSNALELB-SAYIFAPPSA-N	245.410	4.504	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC[C@@H](C)[C@@H](C)C1	383206113	AXSBMDCIUSOHDP-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(O)cc1-c1cccc2ccsc12	383299189	NFXBLYSVEJPSNK-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCCN[C@@H](C)CCC[C@@H](C)C1CCCCC1	384003165	NDMGJWLVLWUEBQ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H]1CCC[C@H](C)C1	384481927	YWFRJAHIIQZGJT-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
CCCc1ccc(NCCC2=CCCCC2)cc1	385240322	VIGZCZXCSHPTRK-UHFFFAOYSA-N	243.394	4.942	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CCCC[C@@H]1C	395132210	GCTHIBICCQKFFO-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCOc1c(CC)sc2ccc(Cl)cc12	396191308	PBIJKDMCXRLDHQ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CC(C)(C)NCC1(C[C@@H]2CC=CCC2)CCCC1	402216390	ONTXXBRXLDIHPA-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC(C)(C)c1ccccc1	686723391	SXMIRJVTZDJFLU-HNNXBMFYSA-N	247.426	4.508	0	10	BJAE	
CCCC1([C@H](O)c2cc(C)c(C)cc2C)CCC1	686928874	KQXCQUCYEJXKAK-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
C[C@@H](Nc1cccc2ccccc12)C(C)(C)C	687794253	WWZGXKFMHLDVTR-GFCCVEGCSA-N	227.351	4.686	0	10	BJAE	
Cc1ccc(N[C@H](C)CC2CCCCC2)cc1F	689722812	XUCCWAUQWPOZGF-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CC[C@H](Nc1ccc(C2CCC2)cc1)[C@H]1C[C@@H]1C	690091374	AFDVHLCZTTUHRK-ZLIFDBKOSA-N	243.394	4.801	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCC1(C)CCCC1	691169103	DDTYOOTWXARVMA-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)C(C)(C)C)c1	695658391	NVIHEPKXDFBOFP-GFCCVEGCSA-N	233.399	4.658	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)C1CCC(C)CC1	696562193	RRTBHZPMLJFXAP-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NCC)C(C)(C)CC	701158823	YGDSMLULDJXKFL-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCCCCC(=O)c1ccc(C(F)F)cc1	701285132	WIPLJMMBZIANAN-UHFFFAOYSA-N	240.293	4.777	0	10	BJAE	
CC(C)CCCCCC(=O)[C@]1(C)CC1(C)C	702113873	LPCDAFWWNCCIMN-HNNXBMFYSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCC[C@H](O)c1ccc(C(C)C)cc1	704936657	UHWPMRDAHZLGLV-INIZCTEOSA-N	232.367	4.590	0	10	BJAE	
CCCC(N)(CCC)[C@@H]1CCCC[C@@H]1CC	704976898	JGDSIHDNYMWHHU-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(N)(C2CCC2)C2CCC2)C1	705332100	AZFFWZLNZVNNPL-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCCCNc1cc(Cl)c(C)c(Cl)c1	709844700	LJBGXHNRMROBCB-UHFFFAOYSA-N	232.154	4.514	0	10	BJAE	
CC[C@H](C[C@@H](N)c1cccc(C)c1C)C(C)(C)C	711120761	NRYAILZGJLEVAM-GDBMZVCRSA-N	247.426	4.766	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1C[C@@H]2CCCC[C@@H]21	712491399	OBAVLZYHIYTHKP-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
C1CCCC(CCN[C@@H]2C[C@H]3CCCC[C@H]32)CC1	712519501	RWEVQFSVRMQXNU-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@@H]1C[C@H]1C1CC1	712947063	NIUMYYCLHURGEV-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H](C)C1CCC1	718564460	HZXDYWGDRDICJO-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CC(C)(C)CC[C@@H]1C	718594002	BFEXZPDYZTZQTL-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCCCCC1(C)C	719220790	SQZKBKHVAVMURD-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCCCCC1(C)C	719223430	QYQOAOQKGVDMNA-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)CC1CCCC1	1659830911	JPDDHTNZCCBZBA-HUUCEWRRSA-N	237.431	4.680	0	10	BJAE	
CC(=CCCNC(C)(C)C)CCC(C)(C)C	1884964054	QRWJWYNSQOTFNT-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)c1ccc(C)c(F)c1Cl	1889494368	VZXGBIFERPQAEC-UHFFFAOYSA-N	214.711	4.691	0	10	BJAE	
CCCC[C@@H](C)c1nc([C@H]2CC2(C)C)cs1	1901913420	ZLWXPCSSAHKUAN-GHMZBOCLSA-N	237.412	4.950	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C2CC3(CCCC3)C2)C1	1912604168	JAAURGPVFUXKEU-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
Clc1ccccc1NC1CC2(CCCCC2)C1	1912700468	HFMPHTBJLQGGIM-UHFFFAOYSA-N	249.785	4.865	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H]1CCCCCCCC[C@H]1O	1913430270	JVBGNHLDQNBZLT-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
CCC(CO)=C1CCCCCCCCCCC1	1914081038	RTDOYCCQLJIBQD-UHFFFAOYSA-N	238.415	4.990	0	10	BJAE	
CC1(C)CC(C[C@@]2(N)CCC3(CCCCC3)C2)C1	1915892027	KUACARGANOFSSM-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H](C)c2ccccc2)C1	1921297496	JNPUSKMPXIIIQL-VQCLRJIVSA-N	244.378	4.576	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)[C@H](C)C1CCCCC1	1924111390	OJYMQYXXBGJFMJ-HIFRSBDPSA-N	239.447	4.602	0	10	BJAE	
CCNC[C@@](C)(C[C@@H](C)CC)C1CCCCC1	1924117002	VDNHYRAWVAOOPO-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)CCC1CCCC1	1924125789	OHUAJEOWAFAPPV-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
Fc1cccc(CC[C@@H]2C=CCCCC2)c1	1925813942	FZTXFJXLAYIOQU-CYBMUJFWSA-N	218.315	4.505	0	10	BJAE	
CCC(CC)CC(=O)c1cccc(C(C)C)c1	1926165952	VAFAHPVYIIDQRO-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
CCC(C)(CC)C(=O)CCC[C@H]1CC1(C)C	1935938200	WGZBMTFBLIPMTH-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@@H](O)CCCCCC1CC1	1936409036	AQPTZPWIXLVPRW-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(C)c(O[C@@H](C)CCC(C)C)c1	1937174567	QFUMYLVTVWRYSV-AWEZNQCLSA-N	220.356	4.507	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)[C@@H](C)CC(C)C	1939034248	SDMNCJLEEFIGAE-KKUMJFAQSA-N	227.436	4.616	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cc(C)ccc1Cl	1939404122	DMSCXIOZVQMSPE-LBPRGKRZSA-N	237.774	4.639	0	10	BJAE	
CC1(C)CC[C@H](CC2(C)CCCCC2)C(=O)C1	1940397989	VLWPCGHCOGYEKK-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CC(=O)CCC[C@H]1CC1(C)C)C(C)(C)C	1940877388	QVUICPMRGUDYAN-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@H]1CCCC2(CC2)C1	1942656281	CIENAFKTFCZUEG-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](F)[C@H](CN)CC(C)C	1945814439	KSXNIKZFTVTNHQ-KKUMJFAQSA-N	245.426	4.552	0	10	BJAE	
CCC1(NCC(C)(C)C2CCCCC2)CCC1	1946159687	CYIOYVRBKATLBC-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C1=C[C@@H](CCc2nc3ccccc3s2)CCC1	1947562263	OJXGPXHTUQZNJX-GFCCVEGCSA-N	243.375	4.585	0	10	BJAE	
CCN[C@@H](CC1=CCCCCCC1)CC(C)C	1948846341	IFEREHWZTLYRJV-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H]2C[C@H]2CC)CC1	1949026546	LCEBIDHTWFGKPM-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
NC1(C[C@@H]2C=CCC2)CCCCCCCCC1	1949160323	OXNBTSCVZPVXPG-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CCCCCC[C@H](C)NC1C[C@H]2CCC[C@@H]2C1	1950297739	QPCFGIXUEKUTCU-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(CO)CCC[C@@H](C)CC1	1950911503	OZGYRJCVGDPBMY-ZBFHGGJFSA-N	240.431	4.638	0	10	BJAE	
C1CCCC(CN[C@H]2CCC[C@H]2C2CC2)CCC1	1966048455	MFGGTKNQUDASKF-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1N[C@@H]1CCCCC12CCC2	1967761948	FPZOQBOBKUFVGJ-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(C)c1NC[C@H]1CCC2(CC2)C1	1968262327	IYLKOEGUIMZRMM-AWEZNQCLSA-N	243.394	4.550	0	10	BJAE	
CCCc1ccccc1NC1CC(C2CCC2)C1	1968528169	NOOADAPMZJNZGA-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)CC1CC1	1968598391	XNJXWHDUARDKKO-CYBMUJFWSA-N	231.383	4.719	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1CC[C@@H](C)C1	1968602313	IXVMZQKGBATRED-HIFRSBDPSA-N	245.410	4.967	0	10	BJAE	
Cc1ccc(F)cc1-c1nc(C2CCC2)cs1	1971322514	PTKHNVVUAUTXPP-UHFFFAOYSA-N	247.338	4.525	0	10	BJAE	
CC[C@H](NC1CC2(CCCCC2)C1)[C@H]1CC1(C)C	1972536745	XUEOKBBOTLIPPZ-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](NC[C@H](CC)C(C)C)c1ccccc1	1973383195	CVZCNUOAZPIMSI-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC(C)(C)CC	1981006815	FGTVPORRQCJTMJ-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCC(CCC)CCCCNC(C)(C)C	1981298983	JXMUUYJPOOZKCC-UHFFFAOYSA-N	227.436	4.761	0	10	BJAE	
CC1([C@H](O)c2ccsc2)CCCCCCC1	1981416664	RGQQKVCFGRNMQH-CYBMUJFWSA-N	238.396	4.532	0	10	BJAE	
CCCC(CCC)C[C@]1(CCC)CCCN1	1984255617	HESCZJNDMLTQBQ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
C=C=CCCc1cc(C(F)(F)F)ccc1Cl	1985441020	AEPMRKRCPGMLQZ-UHFFFAOYSA-N	246.659	4.633	0	10	BJAE	
C1CC(=C2CC(CC3[C@H]4CCCC[C@H]34)C2)C1	1985535032	PZAVAAPMHGCRMY-GJZGRUSLSA-N	216.368	4.703	0	10	BJAE	
CCCC1(CC(=O)[C@@H](CC)CC(C)C)CC1	1990592116	XBXKHLZLYZYWHG-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](c1nc(C2CCCCC2)cs1)C1CC1	1995495675	AHPBJPSFDPDBRA-SNVBAGLBSA-N	235.396	4.704	0	10	BJAE	
CCCC1(c2nc(-c3ccccc3)cs2)CC1	1996224840	FOZZOOFCNYTFPY-UHFFFAOYSA-N	243.375	4.642	0	10	BJAE	
CCCCCCNC[C@H]1CCC[C@@H](CC)CC1	1997101243	XTLYIQHJWSPJTN-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCC=C(C)C)CC1	1997114107	CZXYMKQCGQCXFP-HUUCEWRRSA-N	236.399	4.908	0	10	BJAE	
CCCCCC[C@](C)(O)[C@@H]1CCCC(C)(C)C1	2000040751	GSSHXWGXNVJARC-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)c2c(C)csc2C)C1	2000181273	FXASDXLVEXWJKJ-NOZJJQNGSA-N	248.391	4.540	0	10	BJAE	
OCC1(CCC2CCCCC2)CCCCCC1	2000651628	AVSPCNQKAIDORG-UHFFFAOYSA-N	238.415	4.680	0	10	BJAE	
CCCCCN(C(C)C)[C@H]1CCCC(C)(C)C1	2000908323	WQYBKXALYNUQOX-HNNXBMFYSA-N	239.447	4.856	0	10	BJAE	
CCC(C)(C)[C@]1(N)CCCCC12CCCCC2	2001570507	XYGWZPMBIKVFLW-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)CC2(C)CCC2)C1	2003013262	GHCPMRWGRAGBKG-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(N)[C@@H]1CCC[C@H](C)C1	2003014101	KSJXPEXOHDKVIS-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)C[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2003020405	OGVWXLDBKJEDOZ-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)[C@@H]1CCC[C@@H](C)C1	2003026897	JBKHRIPRGXJYTD-FPCVCCKLSA-N	239.447	4.760	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCCCCCC[C@@H]1O	2003112881	YRKOYULHYCMFTP-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)C[C@@H](N)C1(C)CCC2(CC2)CC1	2007697651	PXUAJPPCMWARJT-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC1([C@H](N)C=C2CCCCC2)CCCCCC1	2007945255	SQYOCDQOBDICEU-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CCCC(CCC)[C@H](CCC1(C)CC1)NCC	2009543461	GSKYQLNYPFDGEU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC=CCCC[C@@]1(CNCC)CCCC[C@H]1C	2009617948	XOKJJADASFLKMG-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@H](NCC)C1=CC[C@@H](CC)CC1	2010721238	ZELBSDOQVVJQEQ-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
C=C=CCCc1ccc(-c2ccccc2)cc1	2010975670	QWPBZFABGAHVKI-UHFFFAOYSA-N	220.315	4.627	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@]3(C)C[C@@H]23)c(C)cc1Cl	2013052847	OIIRTNMTQIGVHM-NJZAAPMLSA-N	249.785	4.557	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CCCCC12CC2	2013266629	IOWZYFKSTMYQLP-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCC[C@](N)(CC)c1sc2ccccc2c1C	2014294001	WMMAZAOXNQSVHD-OAHLLOKOSA-N	247.407	4.574	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)N[C@H](C)C1(C)CCCC1	2014336131	BFYJFXHGGTZYKF-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CC12CCC2)NCCC	2015511665	FUMYFKYRKYOWSK-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)CCC2(C)CC2)CC1	2017659707	WSONHHLJRAXHQY-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CCCC1CCC(CC)CC1)NC	2017736862	MDPASQJSKSQUFE-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCNCC(C)(C)CCC1CCC(CC)CC1	2017738226	SUDQLMYOYQZPPO-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@](O)(CC)CC12CCC(CC1)C2	2018128684	DBIVMFUVRXMBJA-UYSNPLJNSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1CCC2(CC2)C1	2018130960	LZHIHHIKDXRNHN-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1[C@H]2CCCCC[C@H]21	2018131109	MJZLYOVAEXYLNW-JONQDZQNSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)CN(C)C1CC(C(C)C)C1	2019191682	HMXJLILSHGGHIL-QQFBHYJXSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)N1CCC[C@H]1C1CCCCCC1	2019297759	OXOYEQNWRLVMTA-INIZCTEOSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H](C)N(C)[C@@H](C)C1CCC(C)(C)CC1	2019304953	BXXTYKAGFBIQET-KGLIPLIRSA-N	239.447	4.712	0	10	BJAE	
CCCCN(C[C@H]1CC[C@H](C)CC1)[C@H](C)CC	2019449710	DJQAWEDOLKDVDK-BZUAXINKSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](CCCC(C)C)NCC	2022519730	KVGFJZJPQLDAQL-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H](CC)CC(C)C	2022675924	OSRFNSPYSAFCFP-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@](C)(CC)C[C@H]1CCCC(C)(C)C1	2024093697	DLMWHDVIIFIGBT-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(O)CC(C)(C)C1(C)C	2025018008	KWEICSXSEZPAFD-LRDDRELGSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCC1(F)CCC1	2025240148	HRHZKOKGMKVKIY-ZDUSSCGKSA-N	242.378	4.690	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@H](C)CC(C)C	2027902652	BIOJAGJBNHBCSM-CQSZACIVSA-N	246.394	4.894	0	10	BJAE	
C1CCCC(NC[C@@]23CCCC[C@@H]2CCC3)CC1	2031755139	REMLQZBJRZAPEO-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC[C@@]12CCCC[C@@H]1CCC2	2031808827	NFESXIMAACIIIE-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)C(C)(C)C2CCCCC2)c1	2032306206	PGTKHUGZPPDLSG-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CN[C@H](CCC[C@@H]1CCC[C@@H]1C)c1ccccc1	2032512333	AFZHWHOHLSURST-YQQAZPJKSA-N	245.410	4.554	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)c1C	2034263648	NNZFJMYANVADDI-HLLBOEOZSA-N	243.394	4.684	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@H]32)c(C)c1	2034264037	PGBFQKWOYHFQLY-BFYDXBDKSA-N	243.394	4.684	0	10	BJAE	
Cc1cccc([C@H](C)N[C@@H](C)[C@H](C)CC(C)C)c1	2036385791	WGGBAAGOHORGAL-PMPSAXMXSA-N	247.426	4.716	0	10	BJAE	
CCCCCC[C@H](N)[C@@H](c1ccccc1)C(C)C	2037093791	RQXUZCHNCFJSNW-DLBZAZTESA-N	247.426	4.724	0	10	BJAE	
CC1CCC2(CC1)CC(N)(C1CCCCCC1)C2	2038940493	LWTCBXFGMPLRPX-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@]1(C)CC=CCC1	2042031671	VSZCIIAURIZQOB-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@H]1NCC1(C)CC=CC1	2042079251	WKOSEDKPKDUJPK-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042350507	OWUSPIBVNBDEDZ-SIRPWMCASA-N	249.442	4.536	0	10	BJAE	
CC(C)(C)C1CC(CC[C@H](O)c2ccccc2)C1	2043040701	BBJQANVNRJHTPR-BCLQGDPASA-N	246.394	4.573	0	10	BJAE	
CCCCC[C@H](N[C@H]1[C@@H](C)[C@H]1C)c1ccccc1	2043300146	FXVSXSRTMWDKPK-FSDCSDTHSA-N	245.410	4.552	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C[C@H](C)c1ccccc1	2045559618	AYPSWJQXBAZWTI-CABCVRRESA-N	246.394	4.822	0	10	BJAE	
CCCC1([C@H](C[C@H]2CC23CCCCC3)NC)CC1	2047017273	UOSMKKMVIVOFTO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@]1(C[C@@H]2CC23CCCC3)CCCCCN1	2047021187	VBLRZZWLZKRXRH-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)C[C@@H]1CC12CCCC2	2047059988	ULLXOVOKDCTNKV-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H]2C=CCCCC2)CC1	2049417155	FHLDKAYVGAPVGY-ZGRYLRDCSA-N	249.442	4.680	0	10	BJAE	
CCC1CCC([C@](C)(N)C[C@@H]2CC=CCC2)CC1	2049420800	VVNHZUNASHYRLB-MNAZLIDISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2CCC3(CC3)C2)CC1	2049955053	RDLUFYOITNBUJW-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1[C@H]2CCCCC[C@H]21	2051400977	MBVUKJLJSYIXGA-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1(C)CCC1)c1cccc(C)c1	2052332827	XCMNDNUTSWWYAQ-GOEBONIOSA-N	245.410	4.614	0	10	BJAE	
C[C@@H]1CCC=C[C@H]1Nc1ccc2ccccc2c1	2055577148	XAFQNMGLUSAXLB-CXAGYDPISA-N	237.346	4.606	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1(C2CC2)CCCC1	2057608623	IDSPWILDOLRBNS-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
C/C=C/CCC[C@](O)(CC(C)C)c1ccccc1	2059224122	WWPAMDLOFLPIBH-BDUNBXCCSA-N	246.394	4.667	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1C[C@H]2CC[C@H]1C2	2059225510	NXEOFULVQATUPL-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H]1CC12CCCCC2	2059254068	WWEJCQQPEVLMBF-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H]1CC12CCCC2	2059265903	AZXRUYYIRWLSHS-KADIJHKTSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](NC)C2=CC[C@@H](C)CC2)CC1	2060920845	HLGIWXKXWNRLLV-MUIFIZLQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)C1CCC(C)CC1	2060925460	LAOBZLBWWJASNH-RKHAHWSXSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CCCC1)C1=CCC(C)(C)CC1	2061086971	CBDNVERUIHWNQW-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)C1=CCC(C)(C)CC1	2061113955	TYOFEWDIIQBPHW-SUMWQHHRSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C(C2(N)CC3(CCCCC3)C2)CC1	2061122928	SRRFKHASCCJRGG-CQSZACIVSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNc1ccc2ccccc2c1	2062650531	DYBVOYIVZFKKQV-UKRRQHHQSA-N	239.362	4.688	0	10	BJAE	
C[C@@](N)(C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2063487544	QDNHIHCVWJHCNN-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063498321	YNAQYPKHFGARAO-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2C[C@@H]3CCC[C@H]3C2)C1	2063534963	DRBXAFUAJXDFAE-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCC[C@]1(C)NCC12CCC(CC1)CC2	2065299289	ZNBYBXPLOPWSOZ-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@]1(C[C@H]2C=CCCCC2)CCC1(C)C	2068245375	PPDONDMUGAKISA-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@](C)(N)[C@H]2CCC2(C)C)CC1	2068269266	JVYHCDQNODBFDV-UKPHBRMFSA-N	249.442	4.523	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1C[C@H]2CC[C@@H]2C1	2068801036	MJCNZJSKMOJSLB-QQQZDTRSSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@@]2(N)[C@H]3CC[C@@H](C3)C2(C)C)CCC1	2069343818	DBLZYOAELCSICD-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CCCOc1cccc(NC[C@H](CC)C(C)C)c1	2070269798	KYJIUSOYFOXKPM-AWEZNQCLSA-N	249.398	4.570	0	10	BJAE	
CCOc1ccccc1N[C@H](C)CCC=C(C)C	2070399385	QPSWRSGWHAPHKM-CQSZACIVSA-N	247.382	4.632	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H](C)C2CC=CC2)CC1	2070813294	BXBHJEPSLCCFAC-ZMSDIMECSA-N	249.442	4.536	0	10	BJAE	
CC(C)(C)C1(CC2(N)CCC3(CC2)CC3)CCC1	2071939909	FNVZVFCJILAVPC-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)CN1CCCC2(CCCCC2)CC1	2072409712	PYTFFXIIEURQTB-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1ccc(F)cc1C	2072416914	KILBQPQDLCJCIQ-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCCCC[C@]1(CC)Nc2cc(CC)ccc2O1	2073348425	UPVVBXKKVQEOEM-MRXNPFEDSA-N	247.382	4.740	0	10	BJAE	
CCCCC[C@](N)(CC)CC1CC(=C2CCC2)C1	2073353855	VDFYBHZCNNINFT-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)c1c(C)cccc1C	2074635013	XKWQBQOCXPNMHZ-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCC23CCCCCC3)C1	2074893121	RQCADPPCMMQSRB-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CC[C@]12CCC(C)(C)C2	2074900702	SGBFWBDWVHYOQE-VYDXJSESSA-N	249.442	4.610	0	10	BJAE	
CC(C)NC[C@@]1([C@@H]2C=CCCCC2)CCC1(C)C	2075364963	JJWBPXHRNZQTMO-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1cc(C)ccc1F	2077188882	BOHINXJUADSLIJ-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@H]1C[C@@H]1C1CCCC1	2079482084	DBPVJISAUODXSC-CVEARBPZSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC(N)(C[C@@H]2C[C@H]2C2CCCC2)CC1	2079666235	PYCLIKSLXWQUST-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1C[C@@H]1C1CCCC1	2079800595	AATIFXROHBQBLC-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
O=C(C[C@@H]1C[C@H]1C1CCCCC1)[C@H]1CC=CCC1	2079864516	MOSREAWQSPFUIW-JYJNAYRXSA-N	246.394	4.518	0	10	BJAE	
CCCCC[C@](O)(CC)Cc1cccc(C)c1C	2082955213	BXGAEFIXELAJKW-QGZVFWFLSA-N	248.410	4.567	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@@H]2CCCC(C)(C)C2)CCC1	2082975468	JBEQOXLKVKDGHE-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H](CCCCC(F)F)C(C)(C)CC	2216446969	KIRBORLHVBQHQG-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCCCN(C)CCCCCCCC1CC1	2216876720	FQBOQJHLPQVFQT-UHFFFAOYSA-N	239.447	4.859	0	10	BJAE	
CCC[C@H](CCCC(C)(F)F)CN[C@H](C)CC	2217150610	ZPCAMZDKOWLDOT-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CN(CCCCCC1CC1)CCC1=CCCCC1	2218671595	QLPYOKRWGFAVKS-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CC(=CCCCCCCC1CC1)[C@@H]1CCCCN1	2223126507	SRBVTSLRXHXNNJ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)[C@H](C)c1ccccc1	2224163858	IJGCJYVMQYGTCG-BFYDXBDKSA-N	247.426	4.595	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)c1ccc2occc2c1	2224195027	YEKLCVOTFAXZJT-UHFFFAOYSA-N	244.334	4.688	0	10	BJAE	
CCCC(C)(C)C(=O)CC[C@H]1CCC[C@@H](C)C1	2246662562	HAPPPASUWQRCRF-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC1CCC(O)(CC[C@H]2CCC[C@@H](C)C2)CC1	2246691149	GYPWAJFHBZOZOM-LVDPKSTMSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC(=O)CC[C@@H]1CCCC12CC2	2247637363	ADVUEYOPWDWERK-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@](C)(O)c1cc(C)c2sccc2c1	2248571790	HSNMNZQQDOBKFE-OAHLLOKOSA-N	248.391	4.607	0	10	BJAE	
Cc1csc(CNc2cc(C)c(C)c(C)c2)c1	2249498935	OGCMEQXTNAOYPV-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1CCC(C)(C)CC1	2250367839	QVJMKSREDVNYGJ-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CCN1CC[C@H](C)CCCC(C)C	2250520926	XCIGMEAVBZRFHX-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
C1=C(Cc2cccc(C3CCCC3)c2)CCC1	2251227972	UKIVUTMSVOCRIV-UHFFFAOYSA-N	226.363	4.997	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1(C)CC(F)(F)C1	2252919756	SXORHXJYJCHPCX-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC(C)=C(C)CN(C)CC[C@H]1CCCCC12CC2	2253862043	HGTHXVGQTSTSSS-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
NC[C@@H]1CCC[C@H](CC[C@@H]2CCCCC23CC3)C1	2253886235	JSVXLPPZCGQTEI-OAGGEKHMSA-N	249.442	4.502	0	10	BJAE	
CC(=O)C[C@@H](C)CCC12CC3CC(CC(C3)C1)C2	2254024455	ZMGPYGNASCQISH-NICGVCSZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC12CC2)CC1(CC)CC1	2255227820	PVYWGINIKQQLBX-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
O=C(CC[C@@H]1CCCC12CC2)CC1CCCCC1	2255317896	OLDOCYDVNGYIIG-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H]2C[C@@H]2CCC)cc1	2256236847	IQDLHBLBHNJWLJ-HOTGVXAUSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CCC(C[C@@](C)(N)[C@@H]2CC23CCC3)CC1	2256484268	BUTXSSUGNPFPJV-GOEBONIOSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1NCCCCC[C@H]1C[C@@H]1C	2257320794	JJRUYKXJDQXCKF-HOCLYGCPSA-N	245.410	4.877	0	10	BJAE	
C[C@H](Nc1cccc(C(C)(C)C)c1)C1CCCC1	2257967033	JRWLEIXLIKHCPH-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C[C@]12CCCC[C@H]1CC2	2260600973	HNGRWKRZIGGBGI-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCCCN1C[C@]12CCCC[C@H]1CC2	2260612215	GLWFDJRCSCYQAJ-IXDOHACOSA-N	249.442	4.611	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccnc(C(C)(C)C)c1	2260746252	RQAJVTVZQRTYSN-GFCCVEGCSA-N	248.414	4.616	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@H](CC)C(C)C	2300676352	NPNJPLOVOUWOQL-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CCC1(CNC)CCC=CCC1	2300704547	SOOOBGODYOVPEI-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(=CC[C@H](O)C1CC(C)C1)CCCC(C)C	2300863809	UENZXZQVVBJIJZ-GPANFISMSA-N	238.415	4.556	0	10	BJAE	
CC(=CC[C@@](C)(N)C1(C)CC1)CCCC(C)C	2300901372	IRMMIJUFWVSICI-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CC(=CCc1cc(C)ccn1)CCCC(C)C	2300930255	XXCHQPIZIULKCR-UHFFFAOYSA-N	231.383	4.705	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N(C)CC1CCCCCC1	2301706660	HGIKYMCUCQSZEL-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)C1CC(C(C)(C)C)C1	2301965839	XKVKJMNGXFFFDS-MRFVTOPCSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)[C@@H](C)C1CCCCC1	2301970955	JXCWTXPXUWBMLJ-KKUMJFAQSA-N	239.447	4.568	0	10	BJAE	
CCCNC[C@@H](C)CCCCC1=CCCCC1	2302354335	PWRDKIJIHJDIMP-HNNXBMFYSA-N	237.431	4.683	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@H]1CC[C@@H]1C(C)(C)C	2303471208	LCQFAUYBUFONBF-DVOMOZLQSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@](CO)(C[C@@H](C)CC(C)C)CC1	2303471311	ZQSDCJFYWXNMTM-XJKSGUPXSA-N	238.415	4.558	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCc2cc(N)ccc21	2307827603	ZURFNDSNBDXORQ-QWHCGFSZSA-N	231.383	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)C1CC2(CCC2)C1	2307870834	ANZOGGVSXUFEBD-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C[C@@H](C)C(C)(C)C)NC	2307896223	YSHSXECFVUMSAR-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)C1(C)CCC1	2307900892	WHPSJLNTLXWJQD-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1	2309165142	FBTRRMUGQUHKIH-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@@H]1C[C@H]1C1CCCC1	2311566597	RDFYGFRAWRLRDW-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2311610423	QNFSKLJUFVJBFS-QKPAOTATSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(OC(CC2CC2)CC2CC2)cc1C	2313663240	XGYHWBYUFIOVRP-UHFFFAOYSA-N	244.378	4.651	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@@H](CC)c1ccccc1	2316501917	IHPXADLIHTZQRI-DLBZAZTESA-N	245.410	4.515	0	10	BJAE	
CCC1=CCC[C@]1(N)CC=C(C)CCCC(C)C	2316503522	PWNCRJZRSBFIIW-KRWDZBQOSA-N	249.442	4.977	0	10	BJAE	
CC(=CCc1nccn1C(C)C)CCCC(C)C	2316571922	XZISXKZUDCLJTB-UHFFFAOYSA-N	248.414	4.779	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316872497	BZPCNHMKCYBZFK-ZJOBFFGXSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CC2CCCCCC2)CCCC12CCCC2	2316886330	WFFKQJSZPOMTIV-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCN[C@H](CC)c1cccc(C[C@@H](C)CC)c1	2317099634	NZNAKZUDOMTYSL-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H](C)[C@@H](C)C(C)C	2317827946	OSRVBJMMZOSNKE-KBPBESRZSA-N	246.394	4.921	0	10	BJAE	
CC(=CCCC1=CCCCC1)[C@H]1CC[C@@H](N)CC1	2318592699	LYHOTTIOQIGIDG-CALCHBBNSA-N	247.426	4.731	0	10	BJAE	
CCC[C@H](CC)N(C)Cc1ccccc1C1CC1	2319146383	YUIXRTIQHCWCSI-INIZCTEOSA-N	245.410	4.575	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC[C@@H]2CC[C@@H]2C2CC2)C1	2319730693	OFHYXDCXEMAHHN-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](NCC2CCCCCCC2)CC1	2320411206	DBSIFSZXBMPEDZ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2321623422	YCRGSAPSUHDNGH-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2C=CCCCCC2)c1	34454431	UZRONFDGACLHAU-HNNXBMFYSA-N	229.367	4.604	0	10	BJAE	
CCC[C@@H](C)N[C@H](CC(C)(C)C)c1ccccc1	37128553	HJJDMZPMBZUAQF-GDBMZVCRSA-N	247.426	4.942	0	10	BJAE	
CCCCCCOc1ccc([C@@H](C)CC)cc1N	66140927	DVMZMJFJNWSZAX-ZDUSSCGKSA-N	249.398	4.741	0	10	BJAE	
CCCCCCNc1c(C)cc(C)cc1C	66155156	JXHQZDYVTNAPLP-UHFFFAOYSA-N	219.372	4.604	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1CCCCC1	82434235	LNIYOPFGCGAGLS-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](CNC(C)(C)C)CC(C)C	82441759	NRODDPYVKMWFRB-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCc1ccc(C(=O)C2C[C@@H](C)C[C@H](C)C2)cc1	84952998	POPVQBADQADDGQ-STQMWFEESA-N	244.378	4.504	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1CCCCCC1	87946510	RLJJLDOIPAORGX-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](O)C(C)(C)CC)cc1	90484278	KZSCYTXQQJJJHE-OAHLLOKOSA-N	248.410	4.844	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCC[C@@H]1NCCC	103947433	VZZTUWMLRQDWIT-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCC1(N)CC(C)(C)CC(C)(C)C1	124989396	CAABACAJYBOFIQ-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H]1CNCCC	133518896	QBKCVRZTNUKRGK-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@H](C(C)(C)CCNC(C)(C)C)C1	133972272	HDMHFSMFIZKJFW-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC[C@@H]1CNC	155534364	XCYRINCGSFUBGT-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
O=C(CCC1CCCCC1)CC1CCCCC1	164859853	IYWKUUBMQGIGOB-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@](C)(CCCC(C)C)CNC(C)(C)C	166082545	DZFPHUXIBGMFAK-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCC(C)(C)Nc1cc(C)nc2ccccc12	169069036	VFYSMPWCNDKZKH-UHFFFAOYSA-N	242.366	4.534	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C1CCCCC1	169128701	BXTCJMZGACWGCX-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCNCC/C=C(\C)c1ccc(C(C)C)cc1	211718798	MFLIOOBMKVOBKI-VIZOYTHASA-N	245.410	4.603	0	10	BJAE	
Cc1cc(C)c(SC(C)(C)C)cc1C	214391774	YEGMEZONHCKTLD-UHFFFAOYSA-N	208.370	4.502	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)[C@@H]1CCC[C@@H](C)C1	225081251	YGWBHYQZLHUSJE-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2C=CCCC2)cc1	232520549	ANDGZTHDFZZBHR-CQSZACIVSA-N	229.367	4.505	0	10	BJAE	
CCN[C@H](c1ccccc1C)C1(C)CCCCC1	233621951	STZPGXROCOQURO-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
Cc1ccccc1[C@@H](C)NCC1(C)CCCCC1	235188424	AGAWIIKKTDFWPM-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
Cc1ccc([C@H](O)C2=CCCCCCC2)c(C)c1	235913215	QTEDSPUCKBAPNK-QGZVFWFLSA-N	244.378	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2CCCC(C)(C)CC2)C1	251995178	ZNROMCNGXIAEGH-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@@H]1CNc2c(F)cccc21	300257874	GVDFMCLAHRTGEW-AAEUAGOBSA-N	235.346	4.551	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@H](C)CC(C)C)CC1	302604488	WWOKBXHRVQREBG-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCc1ccc(N[C@H](C)CCC(C)C)cc1C	306007204	LSEXGJYGGZPGAA-CQSZACIVSA-N	233.399	4.794	0	10	BJAE	
Cc1cc2cc(C(F)F)sc2cc1Cl	306572244	ASPRCPQUTZKVQG-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1sccc1Cl	308011929	KTAUOHCVDHFNDW-ONGXEEELSA-N	246.803	4.507	0	10	BJAE	
CN[C@@H](CCC[C@H](C)C1CCCCC1)C(C)C	310119662	AJEDVPIUUYZHBO-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(C(=O)C(C(C)C)C(C)C)cc1	310693923	STZONLUXDRWGGJ-UHFFFAOYSA-N	246.394	4.921	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CCC[C@@H]3C[C@H]32)cc1	310891955	YJVRBTWFXMBLJT-LBRJOISOSA-N	243.394	4.801	0	10	BJAE	
CCC[C@H](NCCC1=CCCCC1)C1CCCC1	313424132	HREITMVUIBUIBX-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC1CCC(CNC2CC2)(C2CCCC2)CC1	317873007	XJUBPPAXIWUVGY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(O)CCC[C@@H](CC(C)C)C1	318938305	YNEXJHVBFRUQEB-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CC2CCC1CC2	381906017	DWBKTCMEERQZLB-KOHJWAIASA-N	249.785	4.639	0	10	BJAE	
Cc1cccc([C@@H](C)NCCCCCC(C)C)c1	383081726	AHRPCCXWYWCRAI-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC[C@@H](C)C1	383211589	QADZLNTUIHPKDB-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CCCCC12CCCC2	383499124	DUGULLFANDZIAY-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
C[C@H](C[C@@]1(O)CCCC[C@H]1C)C1CCCCC1	383846265	LCWARHOFXREHME-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)c1ccc2ccccc2c1C	384370206	HWUICWSDTVDEFA-SJKOYZFVSA-N	242.362	4.618	0	10	BJAE	
Cc1cscc1N[C@H](C)[C@H]1CC2CCC1CC2	395690981	GJHQDSZNPLLXBZ-BLYZHGLHSA-N	249.423	4.683	0	10	BJAE	
CCc1sc2ccc(F)cc2c1C(F)F	396198067	MVKLRYPMTZCWOI-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1csc2cc(C(F)F)c(C)cc12	396198349	JLFNCIYWRLYGRH-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)c(F)c1)[C@H]1CC1(C)C	397784055	OXDKHYGBFBIQSC-UKRRQHHQSA-N	249.373	4.761	0	10	BJAE	
CCC[C@@H](C)[C@H](O)C1CC(C)(C)CC(C)(C)C1	688339627	VYFUAFVTRGDDCX-OCCSQVGLSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CCC)NCCCC1CCC1	688367365	FCXLKNLWCMUBPS-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
C[C@@H](NC1CCC2(CC1)CC2)C1CCCCCC1	695997280	HNAPOIYXFMFUIR-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H](C)c1ccccc1	696671774	IMIGQKONWIAXBB-ZDUSSCGKSA-N	232.367	4.576	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1cc(Cl)cs1	696803444	QNNWVLCVMNXBBC-SNVBAGLBSA-N	246.803	4.651	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)c1ccccc1C	697775162	QBJOBPGMGYWVBV-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1C[C@@H]1C(C)(C)C	699873638	ALSWYHPHBQPRJE-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CCC12CCCC2	703733479	SSWIKAYFRLTYIF-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@@H](O)CC/C=C/c1ccccc1	703981020	XSAIAFTZOSMOCK-NIUUYTMRSA-N	246.394	4.667	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H]1CCCC12CC2	706266969	HKSTZPYXTXRQDM-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@](C)(CC)C[C@@H](C)CC(C)(C)C	709105743	MVSLZOPONDJXNX-HOCLYGCPSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@@H](C)CC(C)(C)C	709122379	ISQWPYZEYOEWPS-GOEBONIOSA-N	241.463	4.994	0	10	BJAE	
Cc1cccc(N[C@@H](C)CC2CCCC2)c1C	709760662	PQARVPODWRMIMU-ZDUSSCGKSA-N	231.383	4.684	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1C[C@H]2CC[C@H](C2)C1	710863006	FFVVEDRVSRPKOS-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H]1C[C@@H]2CCCC[C@@H]21	712508499	KRNRJKXUKBIFLK-XIRDDKMYSA-N	241.378	4.555	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)CC1CCCCCC1	713218594	WZLUMHWRSDOZPI-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(C(=O)CC(C)(C)C(C)C)cc1C	713365243	IQKAHYGATRMJOG-UHFFFAOYSA-N	232.367	4.558	0	10	BJAE	
C=C/C=C\CC[C@@H](NCC)c1ccc(Cl)cc1	713702516	AUELBAVSODOFQC-IYKSTZQJSA-N	249.785	4.513	0	10	BJAE	
Nc1ccc(-c2ccc(C3CC3)s2)c(Cl)c1	716588038	CWZCOLZIKHUDNC-UHFFFAOYSA-N	249.766	4.528	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC(C)=C(C)C)NC	718573328	PCFHQCMYMWEMCQ-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H](C)CCC	718604953	WSRAQOVUGQCQBZ-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CCCCCC[C@]1(O)CCCCCC1(C)C	719262992	VZQXAIZRMPJBHX-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
C[C@@H](C(=O)c1cscc1C(F)F)C(C)(C)C	720301164	JBUZEPGCXCOWLU-ZETCQYMHSA-N	246.322	4.551	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1ccc(C(C)(C)C)cc1	723128087	KULMVDRRYWGVBY-JSGCOSHPSA-N	244.378	4.603	0	10	BJAE	
C1CCCC(CCN2CCC[C@H]3CCC[C@H]32)CC1	1307477571	CQQQSTUCTOHSFQ-IAGOWNOFSA-N	249.442	4.611	0	10	BJAE	
C=C/C=C\CCN1CCCC[C@@H]1CCCCC	1460489902	WOJDCKFKOUGTIX-WRLNGNIRSA-N	235.415	4.554	0	10	BJAE	
CCC[C@H](NC[C@@H]1CCCC[C@H]1C)C(C)(C)C	1559844336	HRKBDQJLDXUMHD-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
C1CCC(N[C@@H]2CCCCC23CCCCC3)CC1	1875413433	BGDWBLGSKRCILK-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCC(C)(C)C1	1900713271	OXCHQYYUDPGNGJ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@](CC)(CC=C(C)CC)CNC	1900823478	RQNXJDTXPDSJMQ-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CCc1cscc1N[C@@H](CC)CCC(C)C	1902377220	RJIOZESONOFXOC-ZDUSSCGKSA-N	239.428	4.937	0	10	BJAE	
CCC[C@H](CC)CC[C@H](C)CNC(C)(C)C	1905367021	SKHGQVQBGDZLNA-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@]12CCCC[C@@H]1C2	1909897085	SIKZFMHVJHPHIQ-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](CC[C@@H]1C[C@H]1C)NCCC	1910140262	QOSIVOJYNKHPML-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCSc1ccccc1NC[C@@H]1C[C@H]1C(C)C	1910726852	DXTYYQIPRSQROE-STQMWFEESA-N	249.423	4.503	0	10	BJAE	
CC=CCCc1ccc(C)c(C(C)(C)C)c1	1911869565	WYBOZFLAXBCUPR-UHFFFAOYSA-N	216.368	4.801	0	10	BJAE	
CC(=CCCNC(C)(C)C)CC(C)(C)C(C)C	1911955086	DTKVDWGQFPNTIT-UHFFFAOYSA-N	239.447	4.783	0	10	BJAE	
C=CC=CCCN[C@H]1CCC[C@@H](C(C)(C)C)CC1	1912070448	SRHUHPATIFNKFT-CVEARBPZSA-N	249.442	4.703	0	10	BJAE	
CCCCC[C@@H](C)NCCC=Cc1ccccc1	1912120209	NTKUKTZHWXYPBG-MRXNPFEDSA-N	245.410	4.648	0	10	BJAE	
CC(C)=CCCCc1cccc(Cl)c1C	1913217906	UWGAJMUDOXVOEJ-UHFFFAOYSA-N	222.759	4.937	0	10	BJAE	
CCC1CC(C(=O)c2ccc3sccc3c2)C1	1921272213	RFGVNBZMKWDYSV-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H](C)C1CCCC1	1924096266	BTPKZURPJUHQLV-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
FC1(F)CC[C@H](CC[C@H]2C=CCCC2)C1	1932607204	PKIRDFWBCLNMEO-RYUDHWBXSA-N	214.299	4.558	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)[C@@H](C)CCC(C)C	1937162531	YOXVOFXEXAUJLF-UONOGXRCSA-N	226.404	4.700	0	10	BJAE	
CCC1(C(=O)C[C@@H](C)CC(C)(C)C)CCC1	1940117618	MMDASTKEXOBPFO-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1(C)C(C)(C)C1(C)C	1940278202	AJTIWYJYDNLJTE-GFCCVEGCSA-N	238.415	4.700	0	10	BJAE	
CCC1CCC(CN)(CCCC2(C)CC2)CC1	1940883994	XEQPMNJUYBJQRI-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@H](C)CCC(C)C	1942660504	QTIOGDPGUSFJLV-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@H](N)C(C)(C)C2CCCC2)CCC1	1944640504	MCVNHGRNIMWTRK-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC1CC(C)(C(=O)c2cccc3sccc23)C1	1945963733	YDUXCYYBUFZQEK-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@H]1C=CCC1)NCC	1947574898	CZLUNVZKQZSQMA-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CCC(C)(F)F)CC1	1947994020	SUEFQLLRTAAXKM-OCCSQVGLSA-N	248.357	4.533	0	10	BJAE	
CCC(C)(C)C[C@H]1c2ccccc2NC[C@H]1C	1949095457	YYSLGTUTVFIGQX-TZMCWYRMSA-N	231.383	4.658	0	10	BJAE	
CC(C)(C)CC[C@H](N)[C@@H]1CCC2(CCCC2)C1	1949450805	FSFKNMVBPLTRHC-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)CCC(C)(C)C1CC1	1967661208	ZQTSJNAFJMVMBE-AWEZNQCLSA-N	245.410	4.506	0	10	BJAE	
CC[C@H](NC1C[C@H]2CCCC[C@@H]2C1)C1CCCC1	1967721509	CNIANBZXSVWNBH-INMHGKMJSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@H](C)C1CC2(CCC2)C1)C1CCC1	1969867426	UOUSQJKSKHHKIE-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@H](C)CC(C)(C)C	1976008251	KWHVDPVZKQINKQ-STQMWFEESA-N	227.436	4.602	0	10	BJAE	
CCCC[C@@](O)(CC)[C@@H]1CCCC(C)(C)C1	1978329684	PZJIKUMFMOOHQM-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)CC1(C)CCCC1	1980381233	XAULMOBZMNIWGT-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1sc(C)cc1C	1985604353	IUGXLDXVODTLDY-CYBMUJFWSA-N	240.412	4.615	0	10	BJAE	
Cc1ccc(N)c(-c2cc3sccc3s2)c1	1994738169	IOKVBJOACTWNOU-UHFFFAOYSA-N	245.372	4.520	0	10	BJAE	
CC[C@H](C)Cc1csc(C2(C)CCCC2)n1	1995450570	ZZRADYGTCQFNGU-NSHDSACASA-N	237.412	4.563	0	10	BJAE	
C[C@H]1CC[C@@H](C[C@H](N)C2CCCCCCC2)C1	1996236549	HAFQUSNRYVTAEX-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@@H]1CC[C@H](C)C1	1996272620	VXSDQPJCAVNWIH-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@]1(N)CCCC2(CCCCC2)C1	1996646587	VGFKYEPGMTXRHT-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)NCC[C@H](C)C[C@H]1CCC=CCCC1	1999997133	VPKOGFGQVZCXGF-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H]1CCCC(C)(C)C1	2000143114	KLOSLKLLOLKYGD-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)[C@H](N)[C@H]1CCCC(C)(C)C1	2000179226	OHANZHRSAVSMQB-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCCCCN(CC(C)(C)CC(F)F)C(C)C	2000904720	XUXJATZLJJOPIT-UHFFFAOYSA-N	249.389	4.568	0	10	BJAE	
CCCCN(CCCC)C[C@H](CC)CC(F)F	2000904921	JJSPXASJHCIPOF-CYBMUJFWSA-N	249.389	4.570	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1CC12CCCC2	2001252421	AXNNZZFHAFNQRE-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H]1CCCCCC[C@@H]1CC(CC)CC	2003102559	YHNHFDRELPNKCV-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
O=C(CC1=CCCCCC1)c1cccc(Cl)c1	2003673258	XLOTXZUUBYYIQP-UHFFFAOYSA-N	248.753	4.803	0	10	BJAE	
CCC(CC)CC1(O)CCC(CC)(CC)CC1	2004340383	ZYACLCWJAWICFS-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCC1CC([C@@H](N)C2(C)CCCCCCC2)C1	2004922430	HLGVUQIMVDXKDB-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](C=C1CCCC1)C[C@H](C)CC(C)(C)C	2007939042	DDIOBBRGYMGGCW-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCC1(CC)CC(O)(C2=CCCCCCC2)C1	2009299382	PJOVLFADYPAGSU-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H](O)[C@@H](CC2(C)CCCC2)CC1	2009408813	WNDSYRGEALZZPF-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCCC(=O)c1csc2ccccc12	2009572802	OXELTNBMHWXNKI-NSCUHMNNSA-N	244.359	4.830	0	10	BJAE	
C/C=C/CCCNc1cccc(C2(C)CC2)c1	2009596177	OCCZFJGUFINBIN-ONEGZZNKSA-N	229.367	4.506	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C1(CCC)CC1	2009627346	IKERZVRBDKDGET-NFBGWVBBSA-N	237.431	4.681	0	10	BJAE	
CCCCC1CC(O)([C@@H]2CCC[C@H](CC)C2)C1	2009714259	NLXUYUXARBJKKU-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC(C)(C)C)CC(C)(C)C1	2012041111	HZXXVZNCXBCKBN-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC1(O)CC(CC(C)(C)C)C1	2014656022	HGCLQKQJARCGLX-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CC1(C[C@](C)(O)[C@@H]2CCC2(C)C)CCCCC1	2014899341	OEJYMJOCFHMKAM-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C[C@]1(O)CCCCC[C@@H]1C)C(C)C	2015278735	QQHVAFIEGAHLMJ-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(C[C@]2(O)CCC[C@@H]2C)CC1	2017647522	GFHBOFQAGFTLNU-SLTXQBBLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@@H]1CCC=CCCC1	2017703344	TVBAKNQUNONTTK-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCC[C@H]2CC)CC1	2017729727	ZQNSFINRBUSWFP-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C=C[C@@H](CN)CCC)CC1	2017739717	VSLUOEDSMRIZBJ-GPANFISMSA-N	237.431	4.524	0	10	BJAE	
CCCC1(C[C@@]2(O)CCCCC[C@H]2CC)CC1	2018965442	QYTLBXQMOVVCOI-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCC1(CC2(O)CC(C)(C)CC(C)(C)C2)CC1	2018968354	TVOBLZLNKHAZAI-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)C1(C)CCCCC1	2019199541	LFVYQWZBFQCBRR-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)[C@H](C)CCC(C)C	2019409050	MARPZENQDGMSCH-ZBFHGGJFSA-N	239.447	4.712	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC(C)(C)[C@@H]1O	2020407291	FENOYJYCQVLQQJ-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C[C@@H](C)C(C)(C)C	2022684252	TXWLKBZGMASCSB-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CCCC(C)(C)C1	2024092372	QMVLKCVXIXYUNE-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
C[C@H](N)C[C@H](C)CC1CC(C)(C)CC(C)(C)C1	2024092421	QZVSMJRLESCCRX-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2CCCC(C)(C)C2)C1	2024102768	VULBZXNZUZBEFP-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CCC2=CCCCC2)C1	2024116163	HBPUYMYZSXAGMA-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
O=C(CCC1(F)CCC1)CC1CCCCCC1	2025238386	SQXIBAJCPBCOGJ-UHFFFAOYSA-N	240.362	4.588	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1[C@H]2CCC[C@H]21	2026058713	FLMAMZODZBQEFR-HNKHHVNMSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(F)c2ccc(N)cc2)C1	2027935507	HNLMKNRJVQEDQP-INWMFGNUSA-N	249.373	4.670	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)C1(C2CC2)CC1	2028102279	ZTQCOZWHLAYJCW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](c1ccccc1C1CC1)[C@@H](C)CC(C)C	2028602506	JMUHGLLVPVDGJZ-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H](c1ccccc1CC(C)C)C(C)C	2028927431	OJPLTGFMVIHNDW-QGZVFWFLSA-N	247.426	4.582	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@]23CCCC[C@H]2CCC3)C1	2031800473	ZHIYWWJGIGANQM-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CCC[C@]1(CNC2CC2)CC12CCC2	2032132052	NLIOHBMYWKPSTH-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@H]1CC1(C)C)c1cccc(C(C)C)c1	2032424257	OMIDNLGQMNNXRP-JKSUJKDBSA-N	245.410	4.507	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)c1c(C)coc1C	2035532922	ILHFQKOPXPVYRQ-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)C1(C(C)C)CC1	2035594423	UEHZHMCUXSUQIO-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC[C@@H]1C[C@H]1C1CC1	2037128590	QXXYHJUUXTZCSH-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)C1CCC(N)(C2CC3(CC3)C2)CC1	2037304451	COLAAIQSNPQRRA-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@H]1CC[C@@H](C)C1	2037590870	HQYNLBSJCAOQIR-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(F)cc(C(=O)[C@H]2CCC[C@@H](C)CC2)c1	2039375840	PUOFUGQLQYGSJK-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
CC1(C)CC2(C1)CC(N)(CCC(C)(C)C1CC1)C2	2039459775	GZYIDBUJMPHUKF-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@@H]1CC[C@@H](C)[C@H](C)C1	2043195146	RRGLOBIWFXFEPE-KCYZZUKISA-N	249.442	4.680	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1CC12CCCC2	2045307097	GVEUVNRSVNQVAL-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)C1(C(C)C)CCC1	2045733094	OOOKLPXRVJLPGG-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@@H]1CC2CCC1CC2	2049704917	QGBMLFDZGWHYEU-FJBKBRRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(CC2CCC3(CC2)CC3)C1	2049863185	XRTQDFLSXUZMSD-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@H]1CCC2(CC2)C1	2049867865	XXRKWXXVODBHEK-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(Nc2ccc(C)cc2F)CC1	2051588950	KHIBUYJCHVJHCA-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CNC[C@]1(C[C@@H]2CC=CCC2)CCCCC1(C)C	2053397749	PGLYWTOEUVJKOJ-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCC(C)(C)NCc1ccccc1C(C)(C)C	2053867755	HGSHOQYUUFJSIS-UHFFFAOYSA-N	247.426	4.652	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H]([C@H]2CCC3(CCCC3)C2)C1	2055115081	VIVHEBHNIQYILU-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C1=CCCC1)C1(C)CCC(C)(C)CC1	2056551904	IJYQXMXGNCSFOU-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC=CCCCC(=O)c1c(C)oc2ccccc12	2059207914	TVRJQTXFZNYMME-UHFFFAOYSA-N	242.318	4.670	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1CC12CCCC2	2059265898	AZXRUYYIRWLSHS-CFSAUIFESA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCC)C12CCC(CC1)CC2	2059266339	FLRUNHMOSYQQSH-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
C=C=CC[C@@H](NCCC)c1ccccc1C(C)C	2059445504	XWMXHHYJCWCSSI-QGZVFWFLSA-N	243.394	4.582	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)C1=CC[C@H](C)CC1	2060926492	RIFNFXKWVCNKGG-PBMMVSLJSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@]1(CNC(C)(C)C)CC[C@@H](CC)C1	2061565912	HPNAAFCTEZTYLZ-WBVHZDCISA-N	249.442	4.692	0	10	BJAE	
C1CCCCC(NCC[C@]23CCC[C@@H]2C3)CCC1	2061572771	SYZNLDPWUFZJGL-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
C[C@](N)(CC1CCCC1)CC1CC(=C2CCC2)C1	2061656835	LOICNCKCDDKTNX-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC=CCCCN[C@@H](CCCC)c1ccccc1	2062371366	CWKZALAMFWRKRA-KRWDZBQOSA-N	245.410	4.864	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC1(N)CCC2(CCCC2)CC1	2062648245	ZFECPXGIVYMBTD-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)c1cccc(C(C)(C)C)c1	2068838157	YCYFGJVTXMDTPH-CZUORRHYSA-N	247.426	4.666	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@H]2CC23CCC3)CCC1	2069342662	QXSOXELVQGLACV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@H](N)C2(CC3CC3)CCC2)CC1	2069514790	LPLONAUGYCLYSK-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H]1CC2CCC1CC2	2072416911	KHWOOUXCIFUJCL-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCNC23CCC3)CC1	2072816526	WBORDRMQXBLHSB-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H]2C[C@@H]3C[C@@H]3C2)CC1	2072875479	OOLWSRMCBJLWRX-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C=C1CCN[C@@H](C2CCC2)C1)CC(C)(C)C	2073772733	STTNAROQOLMJGM-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@]12CCCC[C@H]1C2	2074028183	FZRZHGIHYFZXBH-USXIJHARSA-N	249.442	4.502	0	10	BJAE	
CCC1(CC)CCN1Cc1ccc(C(C)C)cc1	2074993399	RVRPPSFRBWFZGK-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CC[C@@H](C)[C@H](C)N1CC(C)(C)Cc2ccccc21	2075202113	ADPYIBDGDSYIOK-KGLIPLIRSA-N	245.410	4.510	0	10	BJAE	
CCc1cccc(CC)c1N[C@H]1C=CCCCC1	2075362887	NKYBRKOBVYUXKC-INIZCTEOSA-N	243.394	4.722	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CC(C3CCC3)C2)C1=O	2076450650	OLQOTRSUVFTVBF-BLZCZZARSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@H]1C[C@@H]1C1CCC1	2079330062	WFKNVDLJPHUATN-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@H]1C[C@@H]1CCC	2079441203	WAUMSZVLSCOAQW-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2C[C@H]2C2CCCCC2)C=CCC1	2079850407	FIYJJRPECPJPFD-VYDXJSESSA-N	246.394	4.518	0	10	BJAE	
CC1(c2ccccc2NCC(F)=C2CCC2)CC1	2081676442	QHWLIVDBJBKLFH-UHFFFAOYSA-N	245.341	4.558	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)[C@@H]2CC23CCCC3)C1	2082975514	JMERTAJVGLUDKQ-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)[C@H]2CC23CCCC3)C1	2082975518	JMERTAJVGLUDKQ-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1CCC(C)(C)C[C@H]1C[C@@H]1C=CCCCC1	2083034936	DVDDELRWGRDZIZ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(N[C@H]2C[C@H]3CCC[C@H]2C3)CC1	2086160641	WSLFBBSLFGFOSY-ZPBWDRIISA-N	249.442	4.514	0	10	BJAE	
Cc1sc([C@@H](O)CCC(C)(C)C)c(C)c1C	2211699250	IGNLCSDROPCKIN-LBPRGKRZSA-N	240.412	4.533	0	10	BJAE	
CC[C@H](C)CC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2213280063	OVYSRIOHRZKXIB-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CCCCCCC1CC1)[C@@H]1C[C@@H]1C	2213573233	FNEDROPKOIBRKO-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(OCCCCCCC2CC2)c1	2213578484	MSASMPADKVDPTO-UHFFFAOYSA-N	232.367	4.734	0	10	BJAE	
Cc1csc([C@@H](N)C[C@H]2C=CCCCC2)c1C	2213634860	CICUQVHSQFTFTJ-KBPBESRZSA-N	249.423	4.501	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CC[C@H]1C)NCCC	2214964971	ROMRSGPNAVTTKW-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC[C@@H]1C[C@@H]1C)NC	2215267296	WNMUCOZDXGREBI-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1(C)CC2(CCC2)C1	2215388181	UIZMLZCZPYGJDO-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
O=C1CCCC[C@@H]1CCCCCCCC1CC1	2216879143	HJFVLROUXHRWJI-HNNXBMFYSA-N	236.399	4.886	0	10	BJAE	
CCC[C@H]1C[C@@H]1NCCCCCCCC1CC1	2216884530	WFIFCBXNFNNRCO-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CCC(C)(C)CC)CNC1CCC1	2217126287	AIPCXXISOBPNMV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@@H](C)C[C@@H]1CCCC(C)(C)C1	2217149050	GXYGOOGLBZRCPT-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C1CCCC([C@@H]2CCN2CCCCC2CC2)CC1	2220018173	YXKATUVESUEPQC-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1NC[C@H](C)CC1=C1CCC(C(C)(C)C)CC1	2220367943	HLFNBWJLAWQXJA-NEJHNUGDSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(C3CC3)CCCCCN2)C1	2221017753	WJELUJLNXSPUQR-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@H](CNCC2CCCCCCC2)CC1	2221665818	GGDSFADWYFRPRO-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CC[C@H]3CCCC[C@H]3C2)N1	2222950600	YDHDCCPRAPAQLE-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CC[C@]1(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCN1	2222976004	CBXGKOSRXWWZQI-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@](C)(N)CCCC[C@@H]1C[C@H]1C	2243053456	QPRPPKNWOQRPGX-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)C2(C)CC=CC2)C1	2246658189	AEMYUMPGHASVPT-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](O)C2(C)CCCC2)C1	2246723847	BUAIBFLVBPQEKV-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCCC[C@@H]1C[C@H]1C)C(C)C	2247111913	IDLUCPCNAZZMOH-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(O)CCCC[C@H]1C[C@H]1C	2247115643	LVPXZWDCUYLDSR-PMPSAXMXSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](CC(CC)CC)C[C@@H]1CCC1(C)C	2247310600	MRTCDMXWJUXBIR-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)CCCCC[C@@H]1C[C@H]1C	2248806686	GUKYBLZUWMDCHX-KLHDSHLOSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)(CCCCC[C@H]1C[C@H]1C)CNC	2248848608	AEFMAKWVHNNJGT-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(O)CCCC1(C)C	2248869839	KDBPYPNCNSLZDI-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCCCC[C@H]2C[C@H]2C)C1	2248877725	GZXIUGSYMTZNAB-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC[C@@H](C)CCCC(C)C)[C@@H](C)NC	2250482899	XDTYWWJSRGOWTE-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)C1(C)CC2(CCC2)C1	2254545277	SKVJIANEVJXWSG-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@@H]2CCC2(C)C)cc1	2254835399	UMBSYHYLMRDSPF-HOTGVXAUSA-N	246.394	4.670	0	10	BJAE	
O[C@H](CC1=CCCCC1)[C@H]1CCCCC12CCC2	2255091376	JLGVRAGKVYSXEX-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
C1CCCCN(CC[C@@H]2CCCC23CC3)CCC1	2255255101	BACXJXLGTZZTKR-INIZCTEOSA-N	249.442	4.613	0	10	BJAE	
C[C@H](Nc1cccc(C2CC2)c1)[C@@H]1CC12CCC2	2256446045	IMMDQYAVWBIZLE-LRDDRELGSA-N	241.378	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC2CCC=CCC2)CC1	2257921713	GEKHZEDDPTWLOF-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CNC2(CCC2)C1	2259615604	RHYGPIWQFIMKHP-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@]12CCC[C@H]1CC2	2260505707	ZITMEMBQRLQAHK-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCCN(C[C@@]12CCC[C@H]1CC2)C1CCCCC1	2260615241	DNFSLONVGQGXRF-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](C=C1CCC1)C1CC(CC(C)(C)C)C1	2261193631	NXIJMRRNSJGFJW-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CCC[C@H](C(C)(C)C)C1	2300880769	MPSJUXAYZMIDNB-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCC(C)=CC[C@H](O)C(C)(C)C1CCCCC1	2300903815	ITODGXXMNQKNOM-HNNXBMFYSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](O)C1(C)CCCCCC1	2301829541	QKTDIBDTDXSRRS-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)n1ccc2c(F)cccc21	2301954290	YLDYPOJOMPJHAB-VXGBXAGGSA-N	233.330	4.634	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@H]1CCCC(C)(C)C1	2301961782	NPHDMNWTXUZOBM-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1[C@@H](C2(O)CCCCCCCC2)CC1(C)C	2302122686	HWRMNFZPQXZAFA-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
COC(C)(C)c1ccc(CCCC(C)C)cc1	2302225464	VSXCNGJLRSZBRC-UHFFFAOYSA-N	234.383	4.547	0	10	BJAE	
CC1(C)CCC[C@]1(N)CCCC1=CCCCC1	2302354052	MSYSVNGANBHABI-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
O=C(CCCC1=CCCCC1)CCC1CCC1	2302358629	ILAPDJIKLUKZQN-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@H]2CCC(C)(C)C2)C1	2302747961	JFGIQJDYLWWSHX-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@@H]2CCC(C)(C)C2)C1	2302880526	MVNAXKPTNKVMTH-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@H]1CC[C@H]1C(C)(C)C	2303479315	YOWOZLDRQGWQQA-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@@H]1CCCC(C)(C)C1	2307762470	BNTNNAOWSDLTOW-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@H](C[C@H](C)C1CC1)NCC	2307826711	PWSTZCRNEKXSMB-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC1CCC2(CCCN2)CC1	2307891418	CFTSFZHTXSVKRR-FHERZECASA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CC[C@@H]1C[C@H]1C)NCC	2307898465	KFYSXRRRLQOCKQ-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@@H]1C[C@H]1CC(C)C	2309909082	CVWPSWWGPKTAMC-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)C[C@@H]1C[C@H]1C(C)(C)C	2311610466	ROBVXZDDOMJTTL-HLPPOEQASA-N	248.410	4.620	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@H]2CCC[C@@H]3C[C@H]23)C1	2311892877	PJTDIVFFRGPNSI-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@@H]1CC)[C@]1(C)C=CCCC1	2312458842	QIHTVNWTULVOGC-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313342383	LFEDGBQRDITBNH-YVSFHVDLSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CCCC[C@H](NC)c1ccccc1	2316252714	PLFKAAVRPMDWEW-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
CCC(C)=CC[C@@H]1CCCc2ccccc2C1=O	2316524091	JGHVSVJAXWEYFY-HNNXBMFYSA-N	242.362	4.568	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CCC[C@@H]2C[C@H]21	2316536977	PLGRTNNVGWMLJC-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2316568429	PUGGTUYEFMLPCB-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@@H]1C[C@H]1C(C)C	2317903123	BPJMIDWUNBNCQY-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCCCCCc1cccc([C@H](C)NCCC)c1	2318364220	KHOZLGRDSVZYSI-HNNXBMFYSA-N	247.426	4.870	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@H]1CCC12CCC2	2318583313	NSLXDUOSPYHRME-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@@H]1CCC(C)=C(C)C1	2320238659	XCERCMQYIXFXBP-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@H]2CCC(C)=C(C)C2)C1	2320326129	CLLWJSJZWJDWEZ-IXDOHACOSA-N	247.426	4.587	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@@H]1CCC(C)=C(C)C1	2320409397	UIGGMBSXBZDAQH-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC[C@](N)(CC2CC2)C2CC2)C1	2321601884	BVZCWDDYIZLDHA-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CCCCCCc1ccc(CC(=O)C(C)C)cc1	2327927301	YTRHLIXVFNQBQS-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CC)Cc1ccccc1	2328191812	YOYJHPGBPSNHCJ-RDJZCZTQSA-N	247.426	4.553	0	10	BJAE	
CCC[C@H](Nc1ccccc1F)c1ccccc1	21786548	YHTCGDURFUJPOR-HNNXBMFYSA-N	243.325	4.779	0	10	BJAE	
CC1CCC(Nc2cccc(C(C)C)c2)CC1	21804734	JGBAJRCZJQEQDY-UHFFFAOYSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(CC)cc1	68985595	ZJVFIYMPJDIPAI-CQSZACIVSA-N	219.372	4.630	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCC[C@H](CC)C1	71105879	IZPPQSVYRVAMIV-DZGCQCFKSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccc3ccccc3c2)C1	80431860	HZUXCPVAGBKVPY-CJNGLKHVSA-N	239.362	4.830	0	10	BJAE	
CCCNc1c(C)c(Cl)c(C)c(Cl)c1C	83229297	VGCNHIUHKPXRMY-UHFFFAOYSA-N	246.181	4.741	0	10	BJAE	
CCCC[C@H](CC)CC1(CNC(C)C)CCC1	87411568	PGRULFLVXFYSKZ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@@H](O)c1sccc1Cl)C(C)(C)C	87623265	BFJNAGVFNGVWCU-PSASIEDQSA-N	246.803	4.507	0	10	BJAE	
CCCCC1CCC(CN)(CCC(C)C)CC1	103999345	VNWBRUSPDIAJRN-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc2ncccc2c1	109954648	HSLRALJBFRDGSO-ZDUSSCGKSA-N	242.366	4.616	0	10	BJAE	
CCCCC[C@@H](CCC1CCCCC1)NC	125341456	DVIDJTFXTZGGTD-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
Cc1ccc2oc([C@@H](O)CCC(C)(C)C)cc2c1	135630118	ZDUKCCHTUKHUOF-ZDUSSCGKSA-N	246.350	4.601	0	10	BJAE	
CCCC[C@@H](CC)CNCCCCC(C)C	147485893	KTEAHEAFVVHUED-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCN[C@@H](CCC(C)C)CC1CCCCCC1	158718084	YCQZMPUYLTZHLJ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)c1ccco1	161958003	PJDZXCQEZNMUFV-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C(=O)CC1CCC1)c1ccccc1	165832148	JOWRYJVHASEZSE-GUYCJALGSA-N	244.378	4.576	0	10	BJAE	
CCCN[C@H](CCC)c1cc2ccccc2s1	167381582	ZVGWMEGMMAUPAD-CYBMUJFWSA-N	247.407	4.742	0	10	BJAE	
CCc1cccc(C(=O)[C@H]2CCC[C@H](CC)C2)c1	168002561	YIUZQZWYTRTPSB-HOCLYGCPSA-N	244.378	4.648	0	10	BJAE	
CC(C)(C)C1CCC(Oc2ccccc2)CC1	202752045	QMBGDIXATLVHEF-UHFFFAOYSA-N	232.367	4.670	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@H]2CCCCC[C@@H]2C)c1	203528202	QGWUQMQWKJSYBK-UXLLHSPISA-N	245.410	4.614	0	10	BJAE	
Cc1cc(F)ccc1N[C@H]1CCCC[C@H]1C(C)C	214439031	UPCINBTUUBKGBY-HOCLYGCPSA-N	249.373	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H](NCCCC2CCCC2)CC1	225035225	XCFWDTCZZVJQKG-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@@H]2CCCC2(C)C)cc1	226657871	NELRIFCVIFNSOJ-JKSUJKDBSA-N	246.394	4.670	0	10	BJAE	
CCC(CC)C[C@H](N)c1cc2ccccc2s1	229159600	MWRWUTXROWLDEF-ZDUSSCGKSA-N	247.407	4.727	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1CCC[C@@H](CC)C1	229201213	SGFHYFWCKFKXMG-QLFBSQMISA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)CNCC1(C)CCCCC1	233008362	CJNHSUKLXBVVSE-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](C)C(=O)CC12CC3CC(CC(C3)C1)C2	233322690	AWIJZDNKEZMCCF-ORVZXPRGSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)c1ccc(C)o1	233544726	DWSZHUFRSKKBPA-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
CNc1cccc(-c2cccc(C3CCC3)c2)c1	234513073	JXIONPCCUOTQRI-UHFFFAOYSA-N	237.346	4.663	0	10	BJAE	
CNc1cccc(-c2cccc(CC(C)C)c2)c1	234537438	WIQHKLGWNGGJHL-UHFFFAOYSA-N	239.362	4.594	0	10	BJAE	
CC[C@@H](C)c1ccc(CC(C)(C)C#N)cc1Cl	260705145	SATKFTKUSODDCR-LLVKDONJSA-N	249.785	4.946	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1ccc(Cl)o1	300058360	BRLAZXKKZYRECL-QWRGUYRKSA-N	243.778	4.539	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	300690407	LXTDTAOMWYJNFY-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CCCC(C)(C)C)c(C)c1	302322155	QRQHDJYYWBHCSF-HNNXBMFYSA-N	248.410	4.862	0	10	BJAE	
CCCC1CCC(O)(C[C@H](C)CC(C)C)CC1	302404818	RYEIPGLKJBMXQS-QQFBHYJXSA-N	240.431	4.780	0	10	BJAE	
CCOc1cccc2c1ccn2[C@H](C)CC(C)C	302620179	ZXRFVWPIGAEYQK-CYBMUJFWSA-N	245.366	4.647	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC1CCCCCC1	304312889	BFWFCBFBVLREKG-ZDUSSCGKSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H](N[C@@H](C)CCC(C)(C)C)c1ccccc1	306030562	LDWVFDMIMUSCPS-GOEBONIOSA-N	247.426	4.942	0	10	BJAE	
CC[C@@H](NCC(C)(C)C1=CCCC1)C1CCCC1	308765368	CCSHUNBOGNHFDN-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)C[C@@H](C)C1CCCCC1	310552374	GUPZYEYDZSIMBZ-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
Cc1cccc([C@@H](O)CC2CCC(C)(C)CC2)c1	310737279	GXIDDKFJABDAMO-INIZCTEOSA-N	246.394	4.635	0	10	BJAE	
CCCc1ccc([C@@H](O)C(C(C)C)C(C)C)cc1	310829660	GGQRSUQRQCQVEB-QGZVFWFLSA-N	248.410	4.601	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CC3CCC2CC3)C1	311054874	JCFPNLSPMMFOTF-NVDSNGLKSA-N	248.410	4.598	0	10	BJAE	
CNC[C@]1([C@@H]2C=CCCCCC2)CCCC[C@H]1C	316836689	CXRFOMDLZMISNE-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1ccc(C)c(Cl)c1	320165755	LRLLTEDAOBSAJN-ONGXEEELSA-N	238.758	4.513	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)c2ccc(C)cc2C)CC1	328291585	UYMNTSHBSYOGHR-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CC3CCC2CC3)CC1	380968400	VRPLILSDAPQKDR-SSHXOBKSSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCCC1(O)C[C@H](C)C[C@@H](C)C1	383523835	LFVLTSCXNAWZSE-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCNC[C@H](C)[C@@H](C)CCC1=CCCCC1	384927855	HUBIAQMVKVEBBN-GJZGRUSLSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(c2ccccc2C(C)C)C1	385730840	OPTCTUZERAKYTO-PBHICJAKSA-N	246.394	4.598	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)C2(C)CCCCCC2)c1	394656531	IIZFHZZIYOJHRU-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CCCN[C@H](CCCCC1=CCCCC1)C1CC1	395307833	FHVOGSFSAZZQHE-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCOc1cc2c(C(F)F)csc2cc1C	396252777	UWFHMTADNGQTFO-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1cc(C(F)F)cc2c(C)csc12	396400042	CFXMPMANCGZNMZ-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@@H](C[C@@H](O)CC1CCCCCC1)C1CCC1	398528017	QSJCESJTOAQDFT-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H]1CCCC[C@H]1CC	401964547	RWIRRWMVYJMXPY-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1CC=CCC1)C(C)C	402259984	GJEGWPBDIPKMQX-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@H](O)[C@@H]2CCCC[C@H]2CC)CCC1	686922533	YCRATWJKWGJOET-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@H](C)C(C)(C)C	691106783	WJTSAEULFDCMDW-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCCCC[C@H]2C)c(C)c1	691136512	IAPMMQKTJHLSSG-CJNGLKHVSA-N	245.410	4.993	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@H]1CC2CCC1CC2	691791078	UQTMVEQFGHFYLK-BACDZXNISA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cccc(Cl)c1	696663348	LUTIJTDXVBKAQY-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CCC=C(C)C)NC	697810598	OWHIDGZXRYWEAT-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H](C)CC(C)(C)C)c1	704566654	CFSUXWKLSRMAPT-CZUORRHYSA-N	248.410	4.916	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@@H]2CCCC[C@@H]2C)CC1	704834361	XHHRSBWSWVMLOZ-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@@H](C2CCC2)C2CC2)cc1Cl	705302192	HVJLAGSDPBATHD-HNNXBMFYSA-N	249.785	4.639	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CCCC[C@H]1C(C)C	707542733	AVZZZQYFULAPEH-HRCADAONSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)CCCCC[C@H]1C(C)C	707764738	CDMMQERLGBKSDT-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)[C@@H](C)CC(C)(C)C	708294746	DPHKTRQWNLKRSD-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)[C@H](C)CC(C)(C)C	708304379	UOONRGPQNWLVHF-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(N)CC1CCCC1	709160678	GHKZFDQEHAQJSE-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC[C@](N)(C[C@@H](C)CC(C)(C)C)[C@@H]1CC1(C)C	709162942	ISWADCFWHAEBQK-ZENOOKHLSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C[C@@H]1CCC[C@@H](C)C1	709259317	HOYISMLOKCWMOD-HZSPNIEDSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)C(C)(C)C)C(C)(C)C	710757683	AGGMBVRMEMYLMB-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H](C)C(C)(C)C	710826887	FNKAOUVWYDAMKO-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CC(=O)[C@H]1CCCC[C@@H]1C)C(C)(C)C	711093060	IGEMMIYYOULMOD-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1C[C@H]2CCCC[C@H]21	712381790	CHNXWESVCHOINF-UXIGCNINSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NCC)[C@H](CC(C)(C)C)C1	713251707	ZPLFHYHIHYSYEQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CCCCc1ccc(Cl)cc1	713657971	GBHYZVFEJCBMCK-ARJAWSKDSA-N	220.743	4.795	0	10	BJAE	
C=C/C=C/CC[C@@H]1CCCC[C@@H]1CNC(C)(C)C	713708581	GGMTYMXLKWDZTQ-YCZSJOHXSA-N	249.442	4.703	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@@H]1CCCCC1(C)C	718604877	YZOTUJZQBFDPPD-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC)CCC=CCCC1	718996336	HKIKZKAVJBKXQW-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H](C)C1(C)CC1	720921220	ZKISTUVWTYUDJB-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCCc1cccc([C@H](NC)C(C)(CC)CC)c1	721663736	NXLVXNCIVFXELH-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC1CCC(C)(C)CC1	721677954	IPORSVKJJCFLCB-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCC)c1cccc(C(C)(C)C)c1	821963949	UHQWZTRLAAMVEE-INIZCTEOSA-N	247.426	4.825	0	10	BJAE	
C/C(=C/Cl)CSCCC1=CCCCC1	1189197207	CHAJIJFYZCFRKX-LUAWRHEFSA-N	230.804	4.753	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC(C(C)C)C(C)C)CC1	1621567700	QYTPHOPVGDVCAG-CABCVRRESA-N	239.447	4.616	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CC3CCC2CC3)CC1	1659855803	YJGJUSFGUBGROE-KLZNEWFBSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)[C@@H](C)C(C)C	1901506452	HNMGIZIJDSVTDS-KKUMJFAQSA-N	227.436	4.616	0	10	BJAE	
Cc1ccc(CCCC2=CCCCC2)cc1	1901957799	ZYVJGZLVGXUKQG-UHFFFAOYSA-N	214.352	4.818	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cccc(Cl)c1	1905447535	DKQLXZBQWHACQA-BXUZGUMPSA-N	239.790	4.556	0	10	BJAE	
CCC[C@H](CC)CCC[C@H](CCC)NCC	1905449121	ZVGWEWZRYJXERE-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C[C@@]12CCC[C@@H]1C2	1908413102	ZAHTZANKPIILJW-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCn1ccc2c(Cl)cccc21	1908538218	UDUUAYBCAMHKRT-VXGBXAGGSA-N	247.769	4.731	0	10	BJAE	
CCC(=C[C@H]1CCCC[C@@H]1C)CNC(C)(C)C	1911979007	BAKIYZMSEDXGAN-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)NCCC=Cc1ccccc1	1912055387	PGXPXGGMBZLRCN-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CCCC2)C1)C1CCCCC1	1916439553	AIXQRBZZOKTALI-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@@](C)(N)c1cccc(C(C)C)c1	1920183007	PQONYCHMTPUWQO-QGZVFWFLSA-N	247.426	4.954	0	10	BJAE	
CCC1(C)CC([C@H](C[C@@H]2C=CCCCC2)NC)C1	1925779634	XRCYHHYMIQPJPB-GYXIZQIFSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H](C)c1ccccc1	1926152103	IVEYMZWCPIYNFN-CYBMUJFWSA-N	232.367	4.576	0	10	BJAE	
CCC(CC)C[C@H](O)CCCCCC(C)C	1926391986	AQRYSTLVPGUEGZ-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CCCCCC[C@@H](C)NCC[C@@H](C)CCC	1937266512	JGCDOYYSMUZKCB-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CC(=O)c1ccc(-c2sccc2C2CC2)s1	1939666218	BLZYDOLCQGTDOU-UHFFFAOYSA-N	248.372	4.557	0	10	BJAE	
C[C@H](CC(=O)CC[C@H]1CC1(C)C)CC(C)(C)C	1940854650	ZKXAFDKLHDWRGJ-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC[C@@H]1CC1(C)C	1940856437	OEPAMJKEMXSPAZ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](CCC[C@@H]2CC2(C)C)C(=O)C1	1940874646	VAPRXVZUPMPBDT-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCc1ccccc1OCc1cscc1C	1941473641	ILOHXDZILFIRMK-UHFFFAOYSA-N	246.375	4.588	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CCCCCC1CC1	1941581222	IIZGMBYAAYLJMB-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
C[C@H](CCCCCC1CC1)c1ccc(N)cc1	1941596428	MAOJPXROJZDCET-CYBMUJFWSA-N	231.383	4.733	0	10	BJAE	
CC(C)NCC1(CCCCCC2CC2)CCC1	1941601882	YBDKGRLQXFGJAB-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC(C)([C@@H](O)CC2(C)CCCCC2)C1	1941981490	FYHCQKSEOSMKLV-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(N)C(C(C)C)C(C)C	1942652553	ILVUTOGJWXLXKN-HOCLYGCPSA-N	241.463	4.704	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@@]12CCCC[C@@H]1CCC2	1944138865	CUSAIBWZXIEWRO-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1ccc(C2(C)CC2)cc1	1944599015	WQKXEGUQISNRTP-STQMWFEESA-N	231.383	4.585	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@H]1CC1(C)C	1944769996	VSOPHCCSORPHQS-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](C[C@H]1CCC[C@@H]1C)NCCC	1944822031	YBNFGDBGEPOWOM-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@H]1CCC[C@H]1C	1944845339	HHESXJKFSVAEHY-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H]1CCC(C)(C)C1	1945581640	HELJQKLIOOOBOW-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CC[C@H](C)[C@H]1C(C)C	1947509773	IXOHWAMEAGFRNW-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
FC(F)(F)c1cccc(C[C@H]2C=CCCC2)c1	1947553016	ULFNBRSSJYODDH-NSHDSACASA-N	240.268	4.604	0	10	BJAE	
C[C@H]1CC[C@H](C2(N)CCCCCCCCC2)C1	1949450200	CTZUFUCJMLBWRQ-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CC=CC[C@@H](C)c1c(C)cc(OCC)cc1C	1951308664	LDJKMASUSGULMX-GFCCVEGCSA-N	232.367	4.772	0	10	BJAE	
FC1(F)CCC[C@@H](C[C@H]2C=CCCC2)C1	1959889005	JWEQRCTZUZTKHY-RYUDHWBXSA-N	214.299	4.558	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](NCC(C)(C)C2=CCCC2)C1	1962927690	HGGODBKPODBXGN-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CN[C@@H]1CCCCC12CCC2	1965980894	UWLPPHGGZNQWBB-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCCN1CCCCCC1CC1	1966467441	YRWWHKFNRKAEDO-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
C[C@@H](NC1CC(C2CCCCC2)C1)C1CCCC1	1967800313	YKOHPMKIDTZKFX-NVPAJSRCSA-N	249.442	4.514	0	10	BJAE	
CCN(CC1CC(C(C)(C)C)C1)c1ccccc1	1968245490	FIWNQSVPJGSXNO-UHFFFAOYSA-N	245.410	4.585	0	10	BJAE	
C1CCC2(CC1)CCC[C@@H](NCC1CCCC1)C2	1968827541	JEKLRVBCDHLMKG-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2(C3CCCCC3)CC2)C1	1970596239	UNQSNVKFKXRVMQ-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC1(C)CCCCC1	1976002715	DNZOEINUWLGIRB-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCC(C)(C)[C@H](N)CCCCCC(C)C	1976010822	ODMLHYYJHNOJHA-CQSZACIVSA-N	227.436	4.747	0	10	BJAE	
CCCC(=O)CCC[C@@H]1CCC=CCCC1	1978279608	CUVCENQKENMFPM-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1CC[C@H](C)C1	1978456635	YLPZGKMBHJOBJF-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H](CC)CCCC	1984619861	YFHMVSCBCOGDLI-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)C1(C)CCCC1	1987620905	MMUWNMHERJFROM-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CC[C@H](C)Cc1coc2c(F)cc(Cl)cc12	1995462685	AGRPQHRUUDMKKU-QMMMGPOBSA-N	240.705	4.814	0	10	BJAE	
C[C@H]1CC[C@H](c2nc(C3CCCC3)cs2)C1	1995498902	VOKKHNGRGGPRJL-JQWIXIFHSA-N	235.396	4.704	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H](C)C1(C)CCCCC1	1995992052	UXKYBIPPMRVPOK-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@]2(N)CCCCCC2(C)C)C1	1996258795	BNHLSLWNZYCDJE-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)[C@@](O)(CC)C1CCC(C)(C)CC1	1996549484	VXIHYXXYZREVNZ-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC[C@H](Nc2ccccc2SC2CC2)C1	1996550761	XDPZLIPKNWPZHU-RYUDHWBXSA-N	247.407	4.542	0	10	BJAE	
CCC[C@@H](C)CN[C@@H](C)C1CCC(C)(C)CC1	1996569449	YBERGINVSRMEOJ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)C1CCC(C)(C)CC1	1996595416	VRWIMHNQKOJSOC-XJKSGUPXSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1996611423	CGFAEICESNELEE-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)[C@H](O)[C@H]1CCC2(CCCC2)C1	1996612459	YIFCLVXRPXMIEV-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)[C@]1(O)CCCC2(CCCCC2)C1	1996645075	FOWZEUJAQRZOIE-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H]1CCCCN1[C@@H]1CCCC(C)(C)C1	2000156428	YWGGUQQEWNSGJZ-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
CCC(C)(C)CN(C)[C@@H]1CCCC(C)(C)CC1	2000894270	FKUSTEIXUXUTQT-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCCCCC[C@H]1NC	2003116814	LHEAMOSMHRCYMT-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC(C)(C)C)C(C)(C)F	2003238552	WYQXKXPUJIPSJS-OLZOCXBDSA-N	245.426	4.565	0	10	BJAE	
CCC1(CC)CCC(O)(C(C)(CC)CC)CC1	2004340092	WUYZARRNVBHZLW-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC)C[C@@H](C(C)(C)CC)C1	2006625923	ANRNYBMDDRQIEC-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)NC1CC(CCCC)C1	2009713738	FQRVKLQPVVNDGZ-FHERZECASA-N	239.447	4.904	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C1=CC[C@@H](C)CC1	2010626483	XZSHCQPLEVOHRV-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)CCC1CCCCC1	2014885379	PVZSSYKYEOYTIX-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2CCC[C@H](C)C2)CCC1	2015597122	ZZTIQYNIJBPVCB-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C)CCC=C(C)C)C1	2016150860	YQQMZRLUKBBKMG-AWEZNQCLSA-N	237.431	4.680	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](NC)C(C)=C(C)C)CC1	2017475917	SDWCRIPRPSZHCN-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CN[C@@]1(C)CCCC(C)(C)C1)C(C)(C)C	2017622940	MJAAGPVKRVNIQH-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](CC(C)C)NC)CC1	2017723480	KEEXLMRIWJIUDP-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@](C)(NCCCC2CCCCC2)C1	2017866966	BGMHVPGVAAUXSG-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)CN[C@@]1(C)CCC(C)(C)C1	2017905132	FBWIQKULBYGOSB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H]1CCC[C@H](CC)C1	2018130970	MDHSALOSDXHGDJ-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H]2C[C@H]2CC1	2018132908	YFKYEAUYEKNGDP-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](CC)NCC1(C2CCC2)CC1	2018135657	BHXQFVFDRQZSIJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCC[C@@H](CC)C2)CC1	2018925596	SFPLJAAWLZTRGB-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@H](NCC)C2(C)CCCC2)CC1	2018990630	NUHTWQZBLFXWCQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)CC1(CC)CC1	2018991393	KBXVNUGLSMBAEM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)C1(CC)CC1	2018997217	XVHUWIBMDJJWMQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCN(CCCC)[C@@H]1CCCC[C@@H]1CC	2019200648	PLGDICHTHCNNGI-JKSUJKDBSA-N	239.447	4.857	0	10	BJAE	
CCC[C@H](C)CN(C)[C@@H](C)C1CCC(C)CC1	2019284994	GGFOFQNYRPMGBX-PYBGIAKNSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](C)CN(CCC)C1CCCCCC1	2020502171	RAQUDTMPZSXEHD-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCCC[C@](CC)(CNCCC)[C@@H]1C=CCC1	2023257800	XEHVCWZEPWWTFI-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCC[C@@H](N)C2)C1	2024091440	IOZVJLRTWSQVJM-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CC1(C)C)C1=CCCCC1	2027815193	MEFIPZSOBJPQIP-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc2c1ccn2CCC[C@H]1CC1(C)C	2027833328	PCHRAYOAPVGIBG-AWEZNQCLSA-N	241.378	4.776	0	10	BJAE	
CN[C@@H](c1ccccc1C)[C@@H](CC(C)C)C(C)C	2028255123	NIEIWVCHLCVMAF-IRXDYDNUSA-N	247.426	4.574	0	10	BJAE	
CCC[C@@H](C(=O)C[C@H](C)c1ccccc1)C(C)C	2028257887	MXJGBDJUNYBTHR-GOEBONIOSA-N	246.394	4.822	0	10	BJAE	
CC(C)NC[C@H]1CCC[C@@H]1CC1CCC=CCC1	2028875214	FTUSPQVNYONSPL-IAGOWNOFSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)c2ccc(C3CCCC3)cc2)CCC1	2031746900	SHMKWKGYOCDCCH-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@@]23CCCC[C@@H]2CCC3)C1	2031797307	CQQSYTWSDANZOM-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C(C)(C)C2CCCC2)c1	2032270693	CHJUDMYWFPVIHB-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CC[C@@H]2CCCC[C@H]21	2034265740	VTOFAESURNPSQF-WOSRLPQWSA-N	247.357	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCCCC12CCC2	2035402584	DTMKOYQMEREDMS-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)C[C@@H]2C=CCC2)cc1	2035553089	UCXSPAYNVHQSKK-CYBMUJFWSA-N	242.362	4.523	0	10	BJAE	
CC[C@@H]1CC[C@](CNC(C)C)(C[C@@H]2C=CCC2)C1	2035587782	FFLNIDLAFUBKSU-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
N[C@@]1(CCC2CCCC2)C[C@@H]2CCCCC[C@@H]2C1	2035862161	QUCBHUJBDJJCMG-BJWYYQGGSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@H]1CC12CCCC2	2036099604	ZFEUPUAVWPCVQI-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC[C@H]1C[C@H]2C=C[C@H]1CC2)NCC	2036494048	HXASCBOHSVZHJC-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)c1ccc(CC(C)C)cc1	2037125664	LFFNTZOURSTFNK-JJRVBVJISA-N	247.426	4.567	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1ccc([C@H]2C[C@H]2C)o1	2037137308	PMWYZHSZWWURON-AGIUHOORSA-N	249.398	4.619	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)CCC[C@@H]2CC2(C)C)C1	2037178902	CGGOVJOPZZDNHE-HNKHHVNMSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](C1CCC1)N(C)[C@@H]1CCC2(CCCC2)C1	2037681482	GJHKCFVDKCMDPW-HZPDHXFCSA-N	249.442	4.610	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CCC[C@H]2CCCC[C@H]21	2038354517	NMLQNPBTTICUKF-QBPKDAKJSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCC2CCC3(CCNC3)CC2)CC1	2038435318	RKHIFPPLSJABMG-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CN[C@H](C)C1CCCCC1	2039445810	AMANWRBLDJJHCE-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](c1cc(C)oc1C)C1(CC)CCC1	2039719466	IGFHYIMXQZXFMU-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C23CCC(CC2)C3(C)C)C1	2040145405	IXVAVHIWAWDHKR-YRFCHQJDSA-N	248.410	4.598	0	10	BJAE	
C[C@H](NC1CCC=CCC1)C1CCC(C)(C)CC1	2040637457	BKDRTZWHZZFBJT-AWEZNQCLSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H]([C@@H]1CC=CCC1)[C@H]1CCC[C@@H](C)C1	2042019520	OTIGRCYOMQIRPM-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1N[C@H](C)CC1=CCCCC1	2043193860	IOIWSWQSTMTFNH-DLTWYDFYSA-N	249.442	4.680	0	10	BJAE	
N[C@@]1(C[C@H]2CCC=CCCC2)CCCC12CCC2	2045320482	NEPJMKOKLWAUIO-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC1(C)C[C@H]1CCCNC[C@H]1CCC=CCCC1	2045322688	GTGDOSIBFWUZFV-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1ccc(CC(C)C)cc1	2045585249	RMLIXRQUYAHAEU-KBPBESRZSA-N	246.394	4.750	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@@H]1CC(C)=C[C@@H](C)C1	2045693722	BYHRGWFMSKUUDC-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C[C@@H]1CC=CCC1)C1(C)CCCCCC1	2045736545	WNCUHXLCIHLSHI-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@H]1CC12CCCCC2	2047006800	DJJXSAQTBADXRX-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CCCCC2)C1CCC1	2047016913	RVLZXBXTWGUXSV-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C[C@H]2CCC23CCC3)CC[C@H]1C	2047934971	GBQZZKUHMXLFCI-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CCCC2(CC2)C1	2051401308	MYJQJQZRUCEBFQ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCC[C@@H]1CNC[C@@]1(C)CC=CCC1	2053386824	QHLVQGMYHYHKJT-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)[C@H]2CCCCC23CCC3)C1	2053411518	KKRVCBSECLQQDE-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC[C@@H]1CCCCC12CC2	2053429670	GDPGJYNXQHILSP-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1[C@H](O)C=C1CCCC1	2056864111	XNFHXDMYKZSLJM-MRXNPFEDSA-N	244.378	4.518	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)C1C(C)(C)C1(C)C	2056880136	ZSVMEKWVDATCFN-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CC1(CNCC(C)C)CCC2(CC2)CC1	2057059480	CVEHYPAUBLIULU-SNAWJCMRSA-N	249.442	4.539	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1C[C@H]1C1CC1)NCCC	2059268099	VMQOFVFHOQCYTR-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCc1c(Cl)ccc(SC)c1C(F)F	2060053517	BMDDJHLBBWJFSR-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
C=C=CCC[C@@]1(CNCC)CCCC(C)(C)CC1	2061560973	MMJPQFSLWFHHKK-QGZVFWFLSA-N	249.442	4.694	0	10	BJAE	
CCN[C@H](CCC1CCC1)CC[C@@]12CCC[C@H]1C2	2061571720	MISGSDMISAHXKT-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CC[C@@]12CCC[C@@H]1C2	2061606220	KGCQASXTMIHLTA-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCN[C@@H]1CCC2(CCCCC2)C1	2062608142	LTFSTTTZHMRZHZ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](O)c1cccc(C(C)(C)C)c1	2068823224	PJILPXUOGOTFOT-XJKSGUPXSA-N	248.410	4.700	0	10	BJAE	
CCCCc1ccc(NC[C@@H]2CC23CCC3)cc1	2069194234	ROUHPKLVUMIMCJ-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
CCN[C@H](CCCC1CCC1)C1(CC2CC2)CC1	2069523169	GLYSROIODLJCHM-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)C[C@]12CCC[C@H]1C2	2070870993	VTANVRPCWNUMAF-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1cccc(C2CCC2)c1	2071488188	IZXPEPJLOXGHHB-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@H]2CCCC23CC3)CC1	2072796589	PVHJBFIBHJBYBC-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC2CCC3(CC2)C[C@H]3N)CC1	2072821453	MCNIEIBSBLZWCT-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CC[C@@H]2CCN[C@H](C3CCC3)C2)CC1	2073791416	QZHKJXQIFVWZOG-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(OC[C@]23CCCC[C@@H]2C3)cc1	2074089836	GGOYPUTZBYAILL-NVXWUHKLSA-N	244.378	4.769	0	10	BJAE	
CCN(c1cccc(C)c1)[C@@H]1CC[C@H](C)[C@H](C)C1	2074802385	OEQFERJCTLRLIQ-ZMSDIMECSA-N	245.410	4.646	0	10	BJAE	
CN[C@H]1[C@H](CC2CCC=CCC2)CCCC1(C)C	2076393540	STBIRWQAPQBGAK-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C[C@H]1CCCC(C)(C)C1=O)c1ccccc1	2076450365	MLFYGQLQHVQWBS-DZGCQCFKSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@H]2CCC3(CC3)C2)cc1	2078345771	FZDOBCBVSGUOTK-CJNGLKHVSA-N	243.394	4.945	0	10	BJAE	
CC1CCC(CNC(C)(C)C)([C@H]2C=CCC2)CC1	2081682066	MRLRGBNSIFOMEJ-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC2(N)CC3(C2)CC3(C)C)C1	2082978572	ICCFYSIFBMOAIG-IGEOTXOUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)C2CC=CC2)CC(C)(C)C1	2082981098	ARMLPRYHYPGETH-UHFFFAOYSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@@H]2CCC23CCC3)C1	2082983751	VJATVNFZHNCHTM-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(CCCCCCC1CC1)C1CC1	2213571436	ISWQYDYOTZJTIB-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
NCC[C@H]1CC[C@H](CCCCCCC2CC2)C1	2213574009	NQXRPQPTLPNJGJ-JKSUJKDBSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)c1cc2ccccc2s1	2215058170	CEHDFOWZIGLKBH-MNOVXSKESA-N	244.359	4.520	0	10	BJAE	
CC[C@@H](C)NC[C@H](CC(C)C)CC1CCCC1	2217140937	KVXLAQRTMSEZOW-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CC[C@H]1CCCN(CCC(C)=C(C)C)C1	2218143199	FMPKMJYVEQWTHT-QGZVFWFLSA-N	249.442	4.801	0	10	BJAE	
CC(C)C1(C(=O)CC2C[C@H]3CCC[C@H](C2)C3)CC1	2218380124	LORFUQAXNAJTDZ-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC[C@@H]1C)c1ccccc1	2220659420	KHGDTICUTLWJHM-ZMSDIMECSA-N	245.410	4.554	0	10	BJAE	
CCC1(C)CC(C(=O)CC2(C)CC3(CCC3)C2)C1	2221085699	IMWCJPLRNDXRGP-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@](C)(Nc2ccnc(C(C)C)c2)CC1	2221606749	IUSICPOYLDMJTE-INIZCTEOSA-N	244.382	4.506	0	10	BJAE	
CCN[C@H](C1CC(C)(C)C1)[C@]1(C)CC=C(C)CC1	2221627345	AZDJPZJRNXABNK-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1CC(CC)C1)[C@]1(C)CC=C(C)CC1	2221628854	DJPNEZSKKKUIIZ-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1C(=O)C1(C)CCC(C)CC1	2221931946	MDRGKJAIFWBCNF-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC[C@@H](C)[C@]1(CNC2CCC2)CCCCC12CC2	2223604255	KFAUGLPRIVQSTR-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C(=O)CCCCC[C@H]1C[C@H]1C	2243877239	KYUCQDZTRZOFAB-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1cc2ccccc2s1	2246873417	RPOLPDDCRWHHBX-DOMZBBRYSA-N	247.407	4.583	0	10	BJAE	
Cc1cc(C)cc(NCCCC[C@@H]2C[C@H]2C)c1	2247112852	BODSRBSBEUJVNH-HUUCEWRRSA-N	231.383	4.542	0	10	BJAE	
CSc1ccc(NCCCC[C@@H]2C[C@H]2C)cc1	2247116039	NJMVRSVVFUHXIV-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
CCCCC[C@](O)(CC)CCCC[C@@H]1C[C@@H]1C	2247129389	NWSFHZVFFFGDEH-ARFHVFGLSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1C[C@H]1CCCC[C@H](N)C1CCCCCC1	2247175605	KAEXJOQZQIQDME-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CCCC[C@@H]1C[C@H]1C	2247176809	RWMVLCGDVISVIU-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H](C)[C@@H]1CC12CCC2	2248291345	KVCSNBYYXXYARH-NEPJUHHUSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCN[C@H](C(C)(C)C)C1	2251261925	JVRDXCINRHSPLA-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(=O)[C@@H](CC[C@@H]2CCCCC23CC3)C1	2253878789	BFNDZSTZRDIHOF-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(F)c(NCC[C@H]2CCC[C@H](C)C2)c1	2253967184	FEMHICUNKSHEDA-GXTWGEPZSA-N	249.373	4.762	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H](N)CC1CC2(CCCC2)C1	2254122474	GAQJXIKFODLVTH-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)CC2=CCCCC2)CCCCCCC1	2255063814	NOOCCVYHUMWNJH-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
CCC[C@H]1CCCCN1CC[C@H]1CCCC12CC2	2255231820	GFCJDRZFLHWYEW-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC1([C@](C)(N)CC[C@@H]2CCCC23CC3)CCCC1	2255338818	SRQBTAMDCQGKBL-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(C(=O)C[C@]23CCCC[C@@H]2CC3)c1	2260581340	ZFMWJWYCCGHAJG-NVXWUHKLSA-N	242.362	4.538	0	10	BJAE	
CCCC1(NC[C@]23CCCC[C@H]2CC3)CCCC1	2260587294	MERIPSFIKGAMFJ-JKSUJKDBSA-N	249.442	4.659	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H](C1CC1)C(C)(C)C	2298838709	IPNVHBOVTUSHPE-HIFRSBDPSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H]([C@H](C)CC1CC1)C(CC)(CC)CC	2298927378	TXLZNJAPBLCQNO-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCC1)n1ccc2c(F)cccc21	2298936347	PIULNTNTJPIYSD-NSHDSACASA-N	231.314	4.532	0	10	BJAE	
Cc1ccc(C(C)C)c2cc(C3CCC3)[nH]c12	2300669638	LQNFEWMBLJYQIY-UHFFFAOYSA-N	227.351	4.867	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CCCCC1(C)C	2300685602	HGRYCXGLUBCMMQ-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H]1[C@@H](CCC(CC)CC)CC[C@H]1C	2300686531	RUZYPJOBZSKHBZ-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC1(N)CCC(C2CC2)CC1	2300705727	HMUSRDXSRYQKJN-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(=CC[C@@]1(C)CC[C@@H](O)C1)CCCC(C)C	2300865335	MFPVYAHJGUOHMN-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CC[C@](C)(CC=C(C)CCCC(C)C)CNC	2300865409	NBCWTPKRURYQOO-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CCN[C@@H]1C[C@H](CC=C(C)CC)CCC1(C)C	2300895864	BSLSRIWXTTTXJC-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)CC1CCCCCC1	2301236177	KDZULBOOHDUAFR-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1ccc(C2CC2)cc1	2301967957	NQJHXUKCRQRTNH-QWHCGFSZSA-N	231.383	4.657	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCC(C)(C)C(=O)C2)C1	2302760928	NAABOTZRRXZTPW-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCCC[C@@H]2C[C@H]21	2302922885	XOKJFJIPZDXRQX-MRVWCRGKSA-N	249.785	4.639	0	10	BJAE	
CCC1CC(C(=O)CC[C@@H]2CCC(C)(C)C2)C1	2304429179	UNVCDJLJBBUZMI-ROKHWSDSSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@@H]2CCCC23CCC3)n1	2307692998	JPFODYFUDILILS-WOPDTQHZSA-N	247.407	4.704	0	10	BJAE	
CCC[C@H](CC)CN(C)C1C[C@H](C)C[C@@H](C)C1	2307746308	CSZGRMKHXCPCNB-KFWWJZLASA-N	239.447	4.569	0	10	BJAE	
CCCNCC1(C[C@@H](CC)CCC)CC(C)C1	2307763625	NUJPZRXSWONLMO-PCKAHOCUSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@]23CCCC[C@@H]2C3)C1	2311163178	AJIKWFFLKINILY-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2C[C@@H]3CC[C@H]2C3)c1	2313071783	FUVYFZSNZVSDMQ-DVOMOZLQSA-N	243.394	4.585	0	10	BJAE	
CC(CC1CCC1)=C1CCNC2(CCCCC2)C1	2313601032	VSFWKZHZCDVSSM-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C1CCCC(NC(CC2CC2)CC2CC2)CCC1	2313613404	VLGAHXBVGUNSRI-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1=O	2317007559	ACHQVMYCYXRQIG-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CC1CCCCCC1	2317010919	SNNDWCYLAUSDCG-YOEHRIQHSA-N	248.410	4.908	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1ccc(F)cc1C1CC1	2317068098	BAQXIWRINLXWPM-ZBEGNZNMSA-N	249.373	4.529	0	10	BJAE	
O=C1CCCC[C@H](C[C@H]2C[C@H]3C=C[C@H]2CCC3)C1	2317212048	QKHFDPWNKUMJSV-KLHDSHLOSA-N	246.394	4.518	0	10	BJAE	
C[C@]1(C(=O)CCCC2=CCCCC2)CC=CCC1	2318587904	DGBLODOCSZXJOR-KRWDZBQOSA-N	246.394	4.973	0	10	BJAE	
CC(C)c1cccc([C@@H](N)CCCCC2CC2)c1	2318883156	QPLCXIWSJPTLTI-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@H]1C)CC1CCC=CCC1	2318935965	KSTDNPUBIDMRAF-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@]1(CNC2CCC2)CCC(C)=C(C)C1	2320261392	PHQZKYYWVGBHCV-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1=C(C)C[C@@H](COc2cc(C)cc(C)c2)CC1	2320348181	OCKYYUDDXZNUBR-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
CC[C@@]1(C[C@H]2CCC(C)=C(C)C2)CCCCCN1	2320348256	OQWWJWJTAVXUKR-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1cccc(C2CCC2)c1	2320650250	NFQDMGBBTBAXDE-RCAFFNEUSA-N	244.378	4.734	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C12CC(CC(C)C)(C1)C2	2321584998	SSWMKCULSJKORD-KLAILNCOSA-N	249.442	4.667	0	10	BJAE	
CC(C)CC12CC([C@@]3(N)CCC[C@H](C)CC3)(C1)C2	2321588075	CZLVDBOUXKXONR-ZGRYLRDCSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](N)c1cc(C)ccc1C(C)C	2327678314	SXAKIDYABCIXHO-KEYYUXOJSA-N	245.410	4.554	0	10	BJAE	
CCCCCCNc1ccc2ccccc2c1	35140451	CFHJVXOXDMKCQS-UHFFFAOYSA-N	227.351	4.832	0	10	BJAE	
CCCC[C@H](CC)Nc1cccc2cnccc12	69372434	TUARAPKZFGQXLF-AWEZNQCLSA-N	242.366	4.616	0	10	BJAE	
CCCCC[C@@H](CC)NCc1ccc(C)c(C)c1	83377768	PVYODPKAJXDQAO-QGZVFWFLSA-N	247.426	4.752	0	10	BJAE	
CCc1ccc(C(=O)C2CCC(CC)CC2)cc1	85078699	CXCIPYBGOUGJEI-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@]2(N)CCCC(C)(C)CC2)C1	86898327	HJYLJWBWKFOFPT-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](CNCC)c1cccc(C)c1	93125090	CHXOVPLKCYFRJB-KRWDZBQOSA-N	247.426	4.659	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC2(C)C)c(F)c1	94275183	HMDVNFOWIFNLCW-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
Cc1ccc2[nH]c(=S)n([C@H](C)CC(C)C)c2c1	94659973	HMSVXHSRQMBRNT-LLVKDONJSA-N	248.395	4.614	0	10	BJAE	
CCCCCC[C@@H](N)c1cc(CC)ccc1CC	97468853	YBHFWOUUOKWYBB-QGZVFWFLSA-N	247.426	4.782	0	10	BJAE	
CC(C)C[C@@H](O)c1cc(C(C)C)ccc1Cl	107998610	KWGHCGUWFIFJFJ-CQSZACIVSA-N	240.774	4.543	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1cccc(C)c1	109719284	FELRTBUERRGMNT-HOCLYGCPSA-N	233.399	4.601	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)c1ccc(C)cc1	109720086	YUMKJSRITIUZKN-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
CCCOc1cc(C)ccc1NC1CCCCC1	109910029	BEVIDJQESBWGAY-UHFFFAOYSA-N	247.382	4.528	0	10	BJAE	
CCCCC[C@@H](N)c1cccc(Cl)c1Cl	125439341	JGUCEAXFCNRTAU-LLVKDONJSA-N	246.181	4.574	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cccc(CC(C)C)c1	127650596	CKWXOKLBMHCALQ-CYBMUJFWSA-N	232.367	4.504	0	10	BJAE	
N[C@H](CC1CCCC1)c1ccc(C2CCC2)cc1	128808586	FTJFUVWJDSBZNF-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CN[C@H](CCC(C)C)c1cccc(CC(C)C)c1	157888980	SLBHCUWVSYNKTM-QGZVFWFLSA-N	247.426	4.582	0	10	BJAE	
CCCNCc1sc2ccccc2c1C(C)C	161568761	XZAMLTPEJQQISQ-UHFFFAOYSA-N	247.407	4.524	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)c1ccc(C)cc1C	162226427	LZMFFRSECQEVRN-SUMWQHHRSA-N	247.426	4.780	0	10	BJAE	
CCc1ccc([C@H](C[C@H](C)CC)NC)cc1CC	167370466	JDIONISWGRIDCC-DYVFJYSZSA-N	247.426	4.508	0	10	BJAE	
Cc1cccc(OCc2ccccc2C(C)C)c1	205437461	YYMYNAAIFKGDOM-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H](C)c1ccccc1	226004760	DXSSHJXQHNLYBH-RDJZCZTQSA-N	247.426	4.739	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CCC[C@@H](CC)C1	227394817	WFJDDCDCFUWDPD-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
c1ccc(C2CCC2)c(-c2cccc3c2CCN3)c1	229615950	YTSGTDZRVUJRIB-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
Cc1cc(-c2cccc(C3CCC3)c2)ccc1O	229655921	CWJLZRJIEYEQDD-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
C=COCC[C@H](C)C[C@H](C)C[C@@H](C)CC	238316028	YQTARMKFXPVMHM-MELADBBJSA-N	212.377	4.635	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCCC)[C@H]1C[C@H]1C	251284740	FMABYILNUVOYGH-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2nc(C)cs2)cc1	259253830	KJLITDQYFIKXKQ-SNVBAGLBSA-N	231.364	4.632	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@@H](C)CC(C)C	302373647	OWFACMHCKNLNAY-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccccc1C1CCC1	302421441	RAYWOGJRHHIAMQ-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CC(C)C[C@H](C)n1ccc2cc(Cl)ccc21	304427019	KNBUTECHXKVRET-NSHDSACASA-N	235.758	4.902	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](C)CCC(C)(C)C	304428059	SAMGZNPKRBATKB-CHWSQXEVSA-N	227.436	4.616	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1/C=C/CCCCC1	305956977	IFSRINIEHJDZFD-OQHXTRMZSA-N	249.785	4.949	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)CC1CCC(C)CC1	308019661	IUCMAGHZUAGPPU-CKUJCDMFSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](NC)[C@@H](CCC)CC(C)C	308042744	CZQPNTJZEQGDEI-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)[C@@H]1CCCC[C@H]1CC	308051494	DNTVDTAOQKPREK-RBSFLKMASA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@H](CC1(C)CCC1)NCC	309753779	LBKHVSJVDBUJHY-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
N[C@H](CCC1CCCCC1)CCC1CCCC1	310061568	SSJAWYNTOVRJQF-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1CCC[C@H](C)C1	310215798	FUTYVLPQQWYLMY-SWLSCSKDSA-N	231.383	4.542	0	10	BJAE	
CCC(CC)(CNC(C)C)CC1(C)CCCC1	310347590	GKDNJMHQYNXJKV-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)([C@@H]2C=CCCCCC2)C1	310698518	BWOHXPSSBVGXSO-ZACQAIPSSA-N	249.442	4.668	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CC2(C)CCCC2)cc1	311194961	FWZGWXUBUDPCJV-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CC(C)(C)CCCN[C@@H]1CCCC(C)(C)CC1	313257764	VTXNGVNQWYNENM-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@](C)(CNC(C)C)[C@H]1C=CCCCCC1	317791598	XJSSAMLGEKGTJT-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)c1)[C@H]1C[C@H]1C	321033366	DEQVKADCZWLMGR-KCXAZCMYSA-N	231.383	4.657	0	10	BJAE	
C[C@H]1C[C@@](O)(CCC2CCCCC2)CC[C@H]1C	383117966	BZFQGMJIXCTJIV-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCN[C@@H](C)C1CCCCC1	383295409	RTLFVQGPIYWCQO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)CC2CCCCC2)C1	383959041	XDNUZZHCNSWJBJ-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](NCCC)c1ccccc1CCC	384654147	NMOZSBRXRLHMBM-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CCC2=CCCCC2)C1	384880107	UHMIAIRIYRSTBS-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
Cc1cc(C)c(C(=O)C(C(C)C)C(C)C)c(C)c1	385316469	GLQZZNFSDSNASZ-UHFFFAOYSA-N	246.394	4.723	0	10	BJAE	
CC1(CN[C@H]2CCCC2(C)C)CCCCCC1	394673109	RYBKBBYPDQEDJO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC(Nc2ccccc2C(C)(C)C)C1	395294420	MGEMCQKKKJGCEZ-UHFFFAOYSA-N	231.383	4.585	0	10	BJAE	
Cc1cc2sccc2c(C)c1C(F)(F)F	396195796	KFCQAZZWDLNEQP-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCOc1csc2c(C)c(C(F)F)ccc12	396234604	DRBKDWUPLPFRNF-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1cccc2sc(F)c(C(F)F)c12	396255305	UQMRHXFIRBMMKB-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1cc(C(F)F)c2sccc2c1F	396259939	YKLHRSVYIFRBPC-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1csc2cc(C(F)F)c(C)cc12	396403774	IXWPGVZNLWCTBJ-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C[C@@H](C)C1CCC1	398737568	LAMDEPISIYRCQE-BMFZPTHFSA-N	239.447	4.602	0	10	BJAE	
N[C@H](CCC1CCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	398857689	QJYFUNMGQAKICY-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CC2	402212139	NKFZPWYDVUFCND-FZKCQIBNSA-N	248.410	4.764	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1cccc(C(C)C)c1	688951336	XJSMTAVVRDWNPW-KRWDZBQOSA-N	247.426	4.897	0	10	BJAE	
CC[C@@H](N[C@H](C)CC1CCCCC1)C1CCC1	689776143	DUYJLHVBFFSNIM-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CC(C)C1CCC(N[C@@H]2CCC23CCCC3)CC1	693799440	ZRGHQHKFGCQWJU-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C[C@H](C)C1CCC1)CC(C)(C)CC	696246559	CBTBIOLTBTUDOO-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCc1ccsc1[C@@H](O)CCC(C)(C)CC	696568209	QBOKFCQVUBXOFO-LBPRGKRZSA-N	240.412	4.560	0	10	BJAE	
CCC(C)(C)CCNc1cccc(F)c1Cl	696702327	CIJHBVXKQIRPGG-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CC(C)(C)CCCNC1C(C)(C)CCC1(C)C	699587538	FKBNVBYTZLMUKG-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@@H]1CC1CC=CC1	700807273	HAJIEBZMEAKNFW-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H]([C@@H]1CC[C@H](CC)C1)C(C)(CC)CC	701133833	QVIOBBXLGMFPQL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@H](NC)C2CCC3(CC2)CC3)CCC1	709938730	JFQPIDASKRADMK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C(=O)C2CCCC2)CC(C)(C)C1	711179963	AKEMTZBSHPOGJO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1CCNc2ccccc21	713137841	BWEFRUJPSWPRML-CYBMUJFWSA-N	231.383	4.658	0	10	BJAE	
CCC[C@@](O)(CC(C)(C)CC)c1ccccc1	713156282	YEGZPTXUYVWDNB-MRXNPFEDSA-N	234.383	4.501	0	10	BJAE	
CCCCCc1ccc(NC[C@]2(C)C[C@H]2C)cc1	714659149	LHCWUWRNPIGACQ-PBHICJAKSA-N	245.410	4.877	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@@H]1CCCCCC1(C)C	719288883	SMHHTQYQTCBFHR-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)C1(C)CCC1	720786032	GUJIVTHOZMOYBH-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@@H](CCC(C)(C)C1CC1)NC	721709410	FSPVKRPOZMQBNK-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](SCc1ccccc1)c1ccc(F)cc1	1640816136	CBXNSVRFOFCJDI-GFCCVEGCSA-N	246.350	4.820	0	10	BJAE	
CC1(C)CCC[C@@H](CNCC[C@H]2CC=CCC2)C1	1658437649	ZEORTVBAIALEOB-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1cccc2cc[nH]c12	1664413721	HRSOUOZBWCWGLD-CYBMUJFWSA-N	244.382	4.795	0	10	BJAE	
CC[C@@](C)(CN)CC=C(C)CCCC(C)C	1900823327	PNMFPDZMMANMBS-OAHLLOKOSA-N	225.420	4.524	0	10	BJAE	
CCC(C)=CC[C@H](O)C[C@H](C)CC(C)(C)C	1900885633	QSXXYGMDCCBPHX-KBPBESRZSA-N	226.404	4.556	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1ccc(F)c(Cl)c1	1901712861	YWHPXLPVDAOWPD-NXEZZACHSA-N	243.753	4.572	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@H]2CCCC[C@H]2C)n1	1905256066	FGUXZSNLWQTZLJ-WYUUTHIRSA-N	235.396	4.560	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)c1sccc1C	1905434626	LIIGYDGZIRZRNO-CHWSQXEVSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CC(CC)CC)NC	1905441865	BFIWNFFBXAADND-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)C[C@@H]1C[C@H]1C	1909601332	KOXSNDGIRNWQRK-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@]12CCCC[C@@H]1C2	1909870953	BJVMNCZKTNPVGN-OWCLPIDISA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC[C@@H](CCC2CCCCC2)[C@@H]1O	1910198647	KCYOSODDPMGNDQ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1C[C@H]1C(C)(C)C)C(C)(C)C	1910809808	RKSHXSAKXZRXEO-YRGRVCCFSA-N	238.415	4.700	0	10	BJAE	
CCC=CC[C@H](CC)c1cccc(F)c1F	1911916772	AMTFLACXGUCXBV-NSHDSACASA-N	224.294	4.815	0	10	BJAE	
C=CC=CCCc1ccc2ccccc2c1F	1911978345	VTACLSFHXSILJG-UHFFFAOYSA-N	226.294	4.654	0	10	BJAE	
CC1(C)C(N[C@H]2CCC3(CCCCC3)C2)C1(C)C	1915874526	XVZJKQLFWQSCGB-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@]1(CNC2CC2)C=CCCC1)C(C)(C)C	1916564301	OFONSGHARYXGTR-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(CNc2ccc3ccccc3c2)C1	1921223166	GFDOIERKRKUPIQ-UHFFFAOYSA-N	239.362	4.688	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(CO)C1CCCC1	1923896030	WSLZSCBAGUUSHA-CJNGLKHVSA-N	240.431	4.638	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1csc(Cl)c1	1933943130	NPMGQOLUWMAEMB-NSHDSACASA-N	245.819	4.618	0	10	BJAE	
CC(C)c1nc2c(s1)CCCCCCCC2	1938720702	MCIUPRMRUGZIRB-UHFFFAOYSA-N	237.412	4.706	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](O)CC1(C)CCCCC1	1940409865	ZIGBDDRZWCFORA-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC[C@@H]1CC1(C)C	1940852446	FPODGGXNRJPJBR-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CCC=C(C)C)NCC	1941272537	LSDIYBZKYUUPID-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@@H](CC)C(C)C	1941273200	QAHXXQDSJISORL-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CCC2CCC2)CC1	1941470438	QEOQNIKWMYBTCM-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](C[C@@H](O)CCCCCC1CC1)C(C)(C)C	1941573872	UHBHQPBUJHCFDW-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCCC[C@@]1(O)CCCCCC1CC1	1941575766	PKKXHVBMJAKLCL-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CN)CCCCCC1CC1	1941581552	MCYUWSNKEYNHJV-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)[C@H](C)CCC(C)C)CC1	1942652686	JQJWFIJERSQHHZ-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC1CCC2(CCC2)CC1	1944600413	QDIBKBAWWFZSCF-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)[C@@H](NC)C(C)(C)C1CCCCC1	1944661171	PVTFUXFRXJBVCM-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CCC[C@@H]1C)C(C)(C)C	1944843013	OSHVYFZTQVJIQS-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H](CC)C1	1947465741	IPDSYRIMTYFFCV-JJXSEGSLSA-N	237.431	4.514	0	10	BJAE	
CCC1CC(NC2CCCCCCCCC2)C1	1947878215	FYTNYUDUQQBZQK-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)C1CC(C)(CC)C1	1948406734	DVLRUPPBVZDKMP-JWMHWRSXSA-N	239.447	4.617	0	10	BJAE	
CC1(CCC[C@](C)(N)CC2CCCCC2)CC1	1949055319	RIONJZWJFNOXMR-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
O=C(CCCCC1CCC1)CC1CCCCC1	1949920005	CXPWDKRKZKPWCU-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCCCNC1CC2(CCC(C)(C)CC2)C1	1950551841	UWQXUEDKOVHPFI-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@H]1CCC[C@@H](C)CC1	1950930154	MYJUZQNRUQNEKY-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
C1=C[C@H](C[C@@H]2[C@H]3CCCCC[C@H]32)CCC1	1960867469	AOYVWHVXKOTLMM-BYNSBNAKSA-N	204.357	4.559	0	10	BJAE	
Cc1cccc(N[C@@H](C)c2ccc(F)c(C)c2)c1	1968251561	HGCDONOEDFBSFJ-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1ccccc1Cl	1968255863	DTNPPORWPCBJIA-GFCCVEGCSA-N	239.790	4.967	0	10	BJAE	
C1CC[C@@H]2CC(NCCC3CCCC3)C[C@H]2CC1	1968855002	AEFJEPPYWKZETJ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](CC)CCC(C)C	1986947816	JIGBRNQIGMJJTL-DZGCQCFKSA-N	227.436	4.616	0	10	BJAE	
CCCC[C@@H](CCC1(CCC)CCC1)NC	1988465697	BKRPXDCVVQSZGX-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC1(CN[C@@H](C)C2(C)CCCCC2)CC1	1995990920	LFHZZKKLRAOPGM-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC[C@H]1CC[C@H](C)C1)C(C)C	1996261395	VUFUMWPUALKURA-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]([C@H]1CCC[C@H](CC)CC1)[C@H](C)CC	1997104582	KFYTUVHSNRGANV-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNCC)CC1CCCCC1	2000505057	NLXVPYOIYFXDGD-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCCCCC1(F)F	2000763208	GREVGDRASIBDMX-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@]1(C)CC=CCC1	2001659950	RNZRMDDDKFJIMB-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](C)[C@](C)(N)C1CCC(C(C)C)CC1	2002925515	OIENCCPSNYJYOM-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(CN)CCCC(C)(C)C1	2002975217	XDETXSYIGZAMJL-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCCCC12CC2	2005536609	NWFLKKNPWXZLCR-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCCCC12CC2	2005538857	ZOFYSGUMEBZBMC-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
CCN[C@H]1C[C@@H](CC(CC)CC)C[C@@H](CC)C1	2006631617	MVEJJCOJVKLDRJ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)C1(C)CCC(C)CC1	2007686574	AOHSKEMAHGFLDA-PWUWZPNHSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](N)C1(C)CCC2(CC2)CC1	2007692027	DBLZRWRMNLJIDF-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C=C1CCCC1)NCC	2007937854	RMXDQBXYVBQNQX-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC([C@@](C)(O)CCC2(C)CC2)CC1	2009542461	WHJCZDGFFSBMJD-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H]1CCCCC1(C)C	2009592958	YRBWZJIKRLXGNG-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(N[C@@H](CC)C[C@H](C)CC)C1	2009791637	ORFBEENMHJDWIG-CIDNJEQPSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C1=CC[C@@H](CC)CC1	2010712555	AKPBXIPCABYCSL-FVQBIDKESA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC[C@]12CCC[C@H]1C2	2010967686	GZWULQBBYDQYGI-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)CC[C@@]12CCC[C@H]1C2)C(C)(C)C	2011010102	DCOMRFLNQPPGCM-DVOMOZLQSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(O)C=CCC(C)(C)C1	2012055411	BKQUKMXQOUCFPV-CJNGLKHVSA-N	238.415	4.556	0	10	BJAE	
CC=C(C)C1(N)CCC2(CCCCCC2)CC1	2013205202	DDKREGWLTYHDTR-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@H]1CCC1(C)C	2014857960	GUHGIILLCHRDBU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C[C@@H](C)C(C)C	2015272573	QTVSITPJSZQSLW-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C)[C@H](CC(C(C)C)C(C)C)C(C)C	2015413310	UKJFHSWCYDXRRF-GDBMZVCRSA-N	241.463	4.575	0	10	BJAE	
CCCC1(CC(=O)CC2=CCCCC2)CCC1	2015598587	XAGRIKCVIZJZHD-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1(CCC)CCC1)NC	2015639655	JASCMQRPFBLQLR-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@@H](N)C2CC(C)(CC)C2)CCC1	2015639670	JGZNYTDYLSBWRM-SHARSMKWSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CCCCCC1CC1	2016119771	NMAOEHWPPWQTJT-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCC1CC(C(=O)CC2(C(C)(C)C)CCC2)C1	2017128980	JKWXCPHPBJBNCW-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](NCCC)C1(C(C)(C)C)CCC1	2017130973	JLOUVXMCCHUOLX-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CC(C)(C)C)CC1(C(C)(C)C)CCC1	2017139781	ZGGWLUPKDFBWCW-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(OCC(F)=C(C)C)cc1	2017470918	SKUDVXRQDNEHMC-LBPRGKRZSA-N	236.330	4.842	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@@H](O)C2CC2)CC1	2017724606	HKVRCNBJPYMGQS-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C[C@]12CCCC[C@H]1C2)NCCC	2018572825	YCYFJPLKIRRNMO-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@@]2(N)CCC[C@H](CC(C)C)C2)CC1	2018982482	MNNRCCIMMMPRRS-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)C1CCCCCC1	2019197909	FCMZNPAVAKLFLF-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CCC(CC)N(C)[C@H](C)[C@H]1CCCC(C)(C)C1	2019296959	FCOOWGXKIZMBGZ-KGLIPLIRSA-N	239.447	4.712	0	10	BJAE	
CCC[C@H](C)N(C)Cc1ccc2sccc2c1	2019306086	RKAUCWFCCHVESB-LBPRGKRZSA-N	247.407	4.522	0	10	BJAE	
CC=C(CC)C[C@H](CC1CCCC1)NCCC	2020974694	SRCIHFHQFDSFIL-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H]1C[C@H]1CCC	2022389993	DUXUKMBZBLOITG-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC=C(C)C)CCC(C(C)C)C(C)C	2023327751	MXRABBXAKGCMAL-OAHLLOKOSA-N	239.447	4.639	0	10	BJAE	
CC1(C)CCC[C@H](CCC2(CO)CCCC2)C1	2024121881	FXHQMPORNBDFSN-CQSZACIVSA-N	238.415	4.536	0	10	BJAE	
CC(F)(F)CCCC[C@H]1CC(C)(C)CCC1=O	2024125900	USRKYVMAYBSNKU-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)CC1CC(C)C1	2027601072	OADNNUBPXQEPOI-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)C1CCC2(CC1)CC2	2027823273	VTSWSROSTVUWRA-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1OCCC[C@@H]1CC1(C)C	2027844300	YQVBAQIPHMJTRQ-OAHLLOKOSA-N	246.394	4.844	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1ccc(C2CC2)cc1	2028589554	AMJGWJSACKOJJX-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@]12CCCC[C@@H]1CCC2	2031755947	AEHFVCBOKBCRNQ-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@H](C)NCc1cccc(C2CCC2)c1	2031914687	JTCDAARPTVDDEH-CQSZACIVSA-N	245.410	4.622	0	10	BJAE	
C[C@H](Nc1ccccc1C1(C)CC1)C1CCCC1	2032243638	YBADDAPUZGLNEW-ZDUSSCGKSA-N	243.394	4.729	0	10	BJAE	
C1CCC(CCN[C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1	2033068513	LRYHMSMQTSBGEO-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C(=O)C2[C@H]3CCCC[C@H]23)CC1	2033483693	MWUPQJSVFXIJON-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C2C(C)(C)C2(C)C)Nc2ccccc21	2034039265	HWUKZEAGSDXOSC-FZMZJTMJSA-N	243.394	4.657	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@](N)(CC1CCCCC1)C2	2036662848	ZFXLXMCUYGWKGM-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
C[C@](N)(C1=CCCCCCC1)[C@@]12CCCC[C@@H]1C2	2037073470	CGSVRIRUMDNIDJ-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(N)CCCC[C@H]1C1CC1	2037179372	LHVMAPWSXQKXJR-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1C[C@@H](C)C1CCC1	2037226467	NKUOLXJJKKKEHA-IOASZLSFSA-N	243.394	4.658	0	10	BJAE	
C[C@@H](CC[C@@](C)(O)c1ccccc1)CC(C)(C)C	2038173417	CUGGVWGYOVNXGT-WMLDXEAASA-N	248.410	4.747	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@@H]1CCCC1(C)C)C2	2038933764	OQLCZIVPOPWBIK-UKEPKTAJSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CC23CCCC3)c1	2039091216	HSUNRLFXENVIKO-OAHLLOKOSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1	2039383606	HTXFOMGBXCISKQ-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C1CC2(C1)CC(C)(C)C2	2039462105	ONUYSWYOTKHVLF-OAHLLOKOSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H]1CC=CCC1	2042015769	DAUNFAHDUBFWOP-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C1(C)CC=CC1	2042018892	JUJHTDWWSYMTSS-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CC(C[C@@]2(N)CCCC23CCC3)C1	2043006231	DJAYAFSGSZIABA-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]([C@@H]1C=CCCC1)[C@@H]1CCC[C@H](CC)C1	2043189104	YJZJRCVPDKLCRP-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1[C@H]2CCCC[C@H]21	2045312214	XQNJEKMYLUNHEL-AIANPOQGSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@@H]1C(C)=CCC[C@@H]1C	2045806057	KEFBVCHQNZIEBO-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC1(CCCN2CCCC23CCCCCC3)CC1	2046562934	ZAEBZRALWKUMJI-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CC(C)c1ccc([C@](C)(O)CC2(C)CCC2)cc1	2046900656	CJRMXXRPCSJSDI-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@H]2CC23CCCCC3)C1	2047016010	MGILCWWLEFMTRN-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CCCC2)C1CCCC1	2047020438	POLFOKIJSPGLGZ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@@H]1CCC12CCC2	2047936913	UEUXUFLFELAKRJ-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2048465137	DUVNMBMIHQABIZ-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)CC=CCC1	2048465398	IZPKSFRWKRSTBF-IVSAIRAKSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](CC1CC2(CC2)C1)CC1(C)CCCC1	2049792723	IGXXIZXKJLJPOM-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCC1)CC1CCC2(CC1)CC2	2049867774	XFKVUWCRZJAEDZ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)C[C@@H]1CCCC2(CC2)C1	2049929539	NQYXVSNIOMCUMN-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CN(C1CCCCCC1)[C@@H]1CCCCC12CCC2	2053428063	YZGNFLRUUAKHFL-MRXNPFEDSA-N	249.442	4.754	0	10	BJAE	
CC[C@@H]1C[C@H](C[C@H]2C=CCCCC2)C[C@H](NC)C1	2055036510	XNJGVCMJLGRHBU-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CCCC23CCCC3)CCC1	2055539278	HZJOBLJLDIADGT-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC1(C[C@H](N)C2(C)CCC3(CC3)CC2)CCCC1	2056556950	OGRAHTOLPOTDOC-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)[C@H]1C=CCCC1	2056643219	QQZXCDJCWUVRHM-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C1CCCC1)c1ccccc1	2056872895	ILOOHERAUVHNNN-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1CCC[C@H]2C[C@@H]12)NCC	2059258641	ILBICBJZIKFBRN-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CC(O)(C[C@@H](C)c2ccccc2)C1	2059395290	IXLZRWLFZAVVCB-HPUBIQBYSA-N	246.394	4.512	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](NC)[C@@H]2CCC(C)(C)C2)CC1	2061085252	PNYYNCSZEOMMER-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](CC)CC1)C1(CC)CC1	2061088033	KBXSUKPIXSKMTB-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)CC[C@]12CCC[C@H]1C2	2061636972	GPFGSBBMFJVRMG-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(C(=O)CCC[C@@H]2C[C@@H]2C)cc1	2062624923	MMFBWERAFSLKPQ-XJKSGUPXSA-N	244.378	4.819	0	10	BJAE	
CC[C@H](C(=O)CCC[C@@H]1C[C@@H]1C)c1ccccc1	2062636752	DZVAAJMNDWTSQL-IMJJTQAJSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CC2(CC(C[C@H](N)CCC3(C)CC3)C2)C1	2063204165	MWAGHGHAWIOBCN-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063486369	IUFLUCCLXVAJPT-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(CCCCCC2CC2)C=CCC2(CCC2)C1	2063646892	ALRWBNOIDFBWHU-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)C=CCC2(CCC2)C1	2063650476	UKVPLHUDVVZZJL-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](C[C@@H]2CC3CCC2CC3)C1	2063717731	ROSUKINFLJMASP-JYVUQVBGSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2CC3(C2)CC3(C)C)C1	2064127925	UGCHUQZUNLASJU-POZPTJLLSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)NCC1(CC23CCC(CC2)C3)CCC1	2065335894	UNDSFEFYAKPPIL-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](CC)c1ccccc1	2065990770	QUUDPFDWOVWPIE-IRXDYDNUSA-N	247.426	4.942	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1ccccc1C(C)(C)C	2068984926	SOJJCKQLTUGRAD-ZDUSSCGKSA-N	246.394	4.849	0	10	BJAE	
CCC1(CN(C)[C@H]2CCCCC23CCC3)CCC1	2069326622	LGLDOPSKCJCISX-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@H]3CCCC[C@@H]32)CCC1	2069342266	NGYQSDBXTAWCTA-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C2(C(C)(C)C)CCC2)c1	2071932266	DRHIQMGPYMVUMZ-OAHLLOKOSA-N	245.410	4.520	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@@H]1C)C1=CCC(C)(C)CC1	2072091936	AJWCDUNKASOJTA-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(=O)CC[C@]23CCCC[C@H]2C3)cc1	2074050899	MMUGCDSGUDVNRJ-RDJZCZTQSA-N	242.362	4.538	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)c1ccc(C)c(C)c1	2074634793	UZNMQOGBSQFLNW-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCCN(CCC1=CCCCC1)C1CCCC1	2076590671	CFMRMBBRIVGLBK-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
C[C@H](CC1=CCCCC1)NC[C@H]1C[C@H]1C(C)(C)C	2079618664	GYBXWHYVYRUUOR-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](NCC)[C@]1(C)C=CCCC1	2079641076	FMEPGQVQALGPLE-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@H]1C1CCCC1)CC1CCCC1	2079660281	LDASAGHZQRDBKQ-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
C1CCCC([C@@H]2C[C@H]2CC[C@@H]2CCCCN2)CC1	2079695936	NYCPNIRKXOVHKX-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)C(C1CCC1)C1CCC1	2079859874	ATLLANPYKDSDIZ-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)C23CCC(CC2)C3)C1	2082980214	TUAYGMASDYGSPA-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](N[C@@H]1CC(C)(C)C1(C)C)c1ccccc1	2084371832	RNLAPKKGGJLFOA-HUUCEWRRSA-N	245.410	4.552	0	10	BJAE	
c1cc2c(c(-c3ccc(C4CC4)cc3)c1)NCCC2	2088996548	AOVXPMFPFQETQI-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
C[C@H]1CC[C@@](CN)(CCCCCCC2CC2)C1	2213571938	PBZLYAVHBQYWOU-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@@H](O)C1(C)CCCCCCC1	2215237587	QOQCVNIBQHORFA-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)CCCCC[C@H]1CC	2215257832	WRYGFSMEHGLNNB-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CC1(C)CC(C)(C)C1	2215386825	QLAWUTWDQQTECW-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@@]2(O)CCC[C@@H](C(C)(C)C)C2)CC1	2216255517	DPXIBWWEUWWICR-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@](N)(CCCCCCCC1CC1)C1CCC1	2216861832	WYDZEIHODHUSCV-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(Cl)cc(OCC2CC(=C3CC3)C2)c1	2217038792	QQXRFTUJTHICCI-UHFFFAOYSA-N	248.753	4.528	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC(C)(C)C)C1CCCC1	2217125363	OTCZEXAARCPJPS-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](CN[C@@H](C)CC)C1CCC1	2217125534	QFLCNFKZDONDEK-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](Nc2ccc(F)cc2)C1	2222261961	UKTKTUXUABWCHY-DOMZBBRYSA-N	249.373	4.843	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CN[C@@H]2CCC[C@@H]12	2223130542	NSFLXTJHZHRFHG-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C(=C/c1ccccc1)\Cc1ccc2occc2c1	2224148680	JFRARTOGJZKSMC-QPJJXVBHSA-N	234.298	4.689	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)[C@H](C)C(C)(C)C)C1	2246659845	LFYACRMUXXEJOU-QPSCCSFWSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](O)CC[C@H]1CCC[C@H](C)C1	2246724694	FRIPXWLNSNHPEZ-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
CN[C@H](CCCC[C@H]1C[C@H]1C)CCCC(C)C	2247148787	KPGPZSJAUZIEBM-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2250351302	BQOWPTCPTOREEZ-OTJKEOIZSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H]1C[C@H]1CCC)NCC	2250351678	FPTWAKOXQWPELZ-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1NCC[C@H]1CC[C@H](C)CCCC(C)C	2250468892	IWRZHCCSTVOUBB-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@]1(C)CCCNC1	2250487414	ASRIECYKSQLMRU-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(CO)C(C)C	2250487993	HYBVBMHBDAABBN-HZPDHXFCSA-N	242.447	4.884	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@@H](C)C1=O	2250490020	DYEXPIXXMFEPMO-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@]12CCC[C@@H]1CC2	2251130752	UTOYVRXPCUJLTK-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CC[C@@H](N)CC1CC(CC(C)(C)C)C1	2251492973	OJHXLMTXDRKFFW-YMAMQOFZSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](O)(CC2(C)CCC2)C1	2251675314	SMPXBLBOJIOCQI-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](N)C[C@H]2CCCCC23CC3)C1	2253812238	YOKULHDGCPOYIC-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2CNC23CCCCC3)C1	2253971208	NWKMHSMFDUGEGS-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCC23CCCC3)C1	2253999680	YHEGKQRVWKDOAP-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@@H]1CCCC12CCC2	2254596406	VOLIRSNZXXQKBG-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC23CCC3)C1	2254975186	IVWGSGHDAHSETD-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1COc1cccc2ccccc12	2255017981	NNPKHEPRQXZLDY-CQSZACIVSA-N	240.346	4.655	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)CC2=CCCCC2)c1	2255142295	XNQPQGUTQSMHRG-KRWDZBQOSA-N	243.394	4.502	0	10	BJAE	
O=C(CC1CCC=CCC1)C[C@@H]1CCCC12CC2	2255336958	ZIYLZKBQHUSRLH-HNNXBMFYSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC[C@H](O)c1ccccc1	2257251525	GYPSLOANSLMCKD-OIISXLGYSA-N	246.394	4.717	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1cc(C2CC2)ccc1F	2259108795	UHZZVEVCKRMQJT-FZMZJTMJSA-N	247.357	4.551	0	10	BJAE	
CCCc1ccccc1CC(=O)[C@H](CC)CCC	2259437687	MLJYDSCXTPPDPE-CQSZACIVSA-N	246.394	4.577	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc(C(C)(C)C)cc1	2259447560	NBJCUTPWRXGJFU-CYBMUJFWSA-N	246.394	4.993	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC=Cc1ccccc1)NC	2259451781	FJOLEWGFZBBROW-DLBZAZTESA-N	245.410	4.504	0	10	BJAE	
CC(C)C1CC(CC(=O)[C@]23CCCC[C@@H]2CC3)C1	2260524954	QPQRQMGYRAOFFL-BOXZVXIZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@]12CCC[C@H]1CC2	2260625734	PYYKDOCWTKFVKV-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@]1(F)CNc1cccc(C2CCCC2)c1	2260661555	FSHHYJSXXVESOB-WBMJQRKESA-N	247.357	4.504	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](NCC2=CCCCC2)C1	2261385068	GWTOSHRNWNWLOC-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@@H](C)NCCC1CC(C)(C)C1	2300505710	PDDXYGMVSFLXSR-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@@H]1CC=CCC1	2300704972	YSGBRMSSVWPUQS-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
C[C@H](Nc1cc(F)ccc1C(F)F)C(C)(C)C	2300827280	XLDIIRPETKXJJC-QMMMGPOBSA-N	245.288	4.610	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC(C)C)CCC[C@@H]1C	2300860395	HAPZJRORHDDTET-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@]1(N)CCC[C@@H](C(C)C)CC1	2300899618	QBIBHIXJCABJIC-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@@H]2CCC[C@@H]3C[C@@H]32)n1	2302258403	MQPJKQXGLSWZQM-WISYIIOYSA-N	247.407	4.560	0	10	BJAE	
CC(C)(C)C1(CC[C@]2(C)CCCCN2)CCC1	2302542065	HTERGDCVTZTOQM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CC[C@H]1C(C)(C)C	2303402556	GPXIDIVUEAIMAV-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@H]1CC[C@@H]1C(C)(C)C	2303474911	IHVWHBLLYYCLCY-AJNGGQMLSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCC(C)=C(C)C1	2303596144	BKXGSMMCXSFPGH-HZPDHXFCSA-N	237.431	4.824	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1CC)CCC(C)(C)C	2303610776	MHOANLHJDNBCGH-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CN1C[C@@H](C(C)C)CC[C@H]1C	2307746544	FXJPJLPKPWRZLO-PMPSAXMXSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC(C)C)CC1(C)C	2307748019	VHJWZXKHKHRUTP-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)Cn1ccc2ccc(F)cc21	2307806041	KHVBEFFLASGOSR-LBPRGKRZSA-N	233.330	4.607	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2308401404	VVVHVZKHZHXVMV-ZHCJQAHYSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CC[C@@]3(C(C)C)C[C@@H]23)c1	2310123179	ARTPWLUTZBCNIS-ULQDDVLXSA-N	243.394	4.540	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CC[C@@]23CCC[C@@H]2C3)C1	2310380029	MRDDGVKZYCPGCV-DUFGSWQCSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)C1	2312960923	ZMTVHAYHQRYVQJ-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C[C@@]12CCCC[C@@H]1CC2	2313315784	PMVZTHXQHOQXSJ-IVSAIRAKSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@]12CCCC[C@@H]1CCC2	2313653694	BWDALFMXAZOHDV-UNEWFSDZSA-N	248.410	4.742	0	10	BJAE	
CCC(C)=CCNc1cccc(O[C@H](C)CC)c1	2316488692	JBWQTRULOCPCPL-CQSZACIVSA-N	247.382	4.632	0	10	BJAE	
C1CCCC(C[C@@H]2CCC3(CCNCC3)C2)CC1	2317008587	DXRAHQSTISMBFK-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc2ncoc2c1	2318047741	TZFCHKRSSMLDTD-GFCCVEGCSA-N	246.354	4.599	0	10	BJAE	
C[C@@H](NCCCC1=CCCCC1)C1(C)CCCC1	2318510174	IKALYAUUXSKNMV-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
C[C@](O)(CCCC1=CCCCC1)[C@@H]1CC12CCC2	2318544458	YHFCIGDXDITSSS-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CCC[C@H]2CC[C@@H]21	2318548036	IIRYRDDNWYVFCB-YESZJQIVSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCC1CC1)C[C@H]1C[C@H]1C1CCCC1	2318873709	RQWXEPDTYGKGOC-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@H](CNC2CCC(C)(C)CC2)CC1	2320414410	RSHXSRDPWJJFPI-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@@]23CCC[C@@H]2CC3)C1	2321634943	WOOPCFOLEGQKSS-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)CN1[C@H]2CC[C@H]1c1ccccc12	2328274617	GCNXJBOERHWTIB-COXVUDFISA-N	243.394	4.705	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCCc2ccccc21	21018360	DDCXFVBFYFCFPZ-RHSMWYFYSA-N	245.410	4.622	0	10	BJAE	
CC(C)C[C@@H](N)c1ccc(C2CCCCC2)cc1	21059364	YDZAAMFQULNYBM-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CCN[C@H](c1c(C)c(C)cc(C)c1C)[C@@H](C)CC	35547130	KXVXDQDJKSGJAZ-GTNSWQLSSA-N	247.426	4.617	0	10	BJAE	
CCCN[C@H](c1sccc1C)C(CC)CC	42730206	GBKCMQJJMIJKBA-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H](Nc1ccccc1SC)c1ccco1	54084551	FKIQEISVWCNQFX-LLVKDONJSA-N	247.363	4.565	0	10	BJAE	
C[C@@H](c1ccccc1Br)C(C)(C)C	60297256	DNZXAKPPCWWGEZ-VIFPVBQESA-N	241.172	4.599	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccccc1Cl	68985508	MLKMROLPPTXDIX-LLVKDONJSA-N	225.763	4.721	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)c1cccs1	71085131	NJYKLXIGSANGKQ-CHWSQXEVSA-N	239.428	4.615	0	10	BJAE	
Cc1c(SC(F)F)sc2ccccc12	71784170	GOXFWPAIDFLQQM-UHFFFAOYSA-N	230.304	4.524	0	10	BJAE	
CCc1cc(OC2CCCCC2)ccc1Cl	79836194	VBNZKLBALKYTMX-UHFFFAOYSA-N	238.758	4.614	0	10	BJAE	
CCCCCC1(CNCCC)CCCCC1	82441790	SDTJGCVROZRMMZ-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
Clc1ccc(Nc2ccc3[nH]ccc3c2)cc1	82715191	WSIUVMMQPAFNHT-UHFFFAOYSA-N	242.709	4.565	0	10	BJAE	
CCc1ccccc1CN[C@@H](CC)C[C@H](C)CC	84200793	WXZUFBOZOUXNKP-PBHICJAKSA-N	247.426	4.553	0	10	BJAE	
CCCCCC[C@H](C)NC1C[C@@H](C)C[C@H](C)C1	84468182	RITHOBUTXYLORR-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H]1CCC[C@@H](Nc2cccc(O)c2)CC1	86923463	LDGFXQFJWXJAOP-UONOGXRCSA-N	247.382	4.553	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H](CC)C(C)C)CC1	86945219	FFZMKNLTUPURAZ-OAGGEKHMSA-N	239.447	4.760	0	10	BJAE	
CC(C)C1CCC([C@H](N)CCC(C)(C)C)CC1	87964766	GGUJFSDCOOBRHB-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NC1CCCCCCC1	88506297	QPMDAVXJRIWIFB-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCC[C@@H](C)C2)c(C)c1	89586087	OXTSNOFOEGGYHL-IUODEOHRSA-N	231.383	4.542	0	10	BJAE	
CCC(C)(C)c1ccc(-c2ccccc2N)cc1	90484068	CUVFUQQDNDTCKY-UHFFFAOYSA-N	239.362	4.623	0	10	BJAE	
CC[C@H](C)[C@@]1(N)CCCC[C@@H]1C1CCCCC1	93187707	FRMBWYKUMYMGDA-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc([C@H](O)CCC2CCCCC2)cc1C	109781489	IKRPGHJAQJGZDX-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CCCC(CCC)N[C@H](C)c1ccc(C)cc1C	109902631	QKANPEHDMJOZKU-OAHLLOKOSA-N	247.426	4.923	0	10	BJAE	
CCCC[C@H](C)Nc1nc2ccccc2cc1C	110385296	PTWCLPNMCIRHGR-ZDUSSCGKSA-N	242.366	4.534	0	10	BJAE	
CC(C)(C)CCC(=O)c1ccccc1C(C)(C)C	165218154	CLBZGQJQRCZWCI-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)C(C)(C)C	166181319	XUUTZIGMVLBKKK-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
C[C@H](C[C@@H](C)c1ccc(N)cc1)c1ccccc1	200768264	UQBLZEMLNNWLHW-ZIAGYGMSSA-N	239.362	4.566	0	10	BJAE	
CCC[C@@H](CC)COc1cc(C)ccc1C	200909008	KZVOLOROFZEFNN-CQSZACIVSA-N	220.356	4.509	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)c1cc(C)ccc1C	225400045	AYADCEQLPYIFSV-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(O)CCCCC1(C)C	226875032	JYYOXSURTRCPMR-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
Cc1sccc1[C@H](O)C[C@@H](C)CC(C)(C)C	227919375	ZRXLLZYXXFLEQI-ZWNOBZJWSA-N	240.412	4.552	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@@H]1CCC12CCCCC2	230168040	YUVITKWGLWSRJY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccccc2Cl)C[C@H]1C	251890884	RTQURESBDDXKOK-IJLUTSLNSA-N	237.774	4.577	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C2CCCCCC2)C1	252109801	JKGRDBNAWJCIIJ-NHAGDIPZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@H]1CCC12CCCCC2	299948783	ALPORBPUNKNMBG-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@H]1CCC12CCCCC2	299960520	YUVITKWGLWSRJY-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@H]1CC[C@H](C)C1	300138373	NFZBPJALYDTSEO-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H](C)CC1(N)CCCCCCC1	300953334	PZMCLTKCTZPVBQ-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@]1(C[C@@H](C)CC(C)C)CCCCCN1	305935020	KNVGZWNAYIKEPP-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCc1sc2cccc(Cl)c2c1CC	306872189	ZRRGZHJXQPKSTG-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@H](C)c1ccccc1	308057172	QZNHRKHZCLDORS-GJZGRUSLSA-N	246.394	4.822	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@H](CC)CC(C)C	308105915	VMYWXYFVFFNHMC-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1cc(C)ccc1C	308109912	MLQZQIQSZXAWIL-HNNXBMFYSA-N	246.394	4.949	0	10	BJAE	
CC1(C)CCC[C@H](NCCC2(C)CCCC2)C1	310197884	BGILBUWXXAUJLS-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CCC[C@@H](C)C2)C1	310419557	NTECANZVGUWVAK-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC(C)C)CC[C@@H](C)C1	318017493	FNKNYDODIFXFKQ-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@]1(CNCC(C)C)CC[C@H](C)C1	319220330	PSUWWBFJGHIWFT-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)c1cc2ccccc2s1	319545990	IVFKFNGOSUHTHC-FIXISWKDSA-N	247.407	4.583	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)CCC[C@@H](CC(C)C)C1	319687515	RYVKBGPIVWIVOV-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@@H]1CNc2ccccc2C1	383420198	ZQLUPHCAEMZAAQ-HNNXBMFYSA-N	245.410	4.877	0	10	BJAE	
CCN[C@H](CCC[C@@H](C)c1ccccc1)C(C)C	384843001	ZZIDPUITAMPSGE-NVXWUHKLSA-N	247.426	4.595	0	10	BJAE	
CCCC1([C@@H](N)c2ccccc2C2CCC2)CC1	385203178	GTVCMFWLVXDQKD-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H]1CCCC1(C)C	385872572	JNGZYSOVMWZZPE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)CC2=CCCCC2)CC1	386792473	LOOHGFYNKGZYGW-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](NC[C@@H]1CCCC1(C)C)c1ccccc1	388848203	IIPIQRLRFQQANQ-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H](C)c1ccc(NCCCC2CC2)cc1	394645791	IUELZQGKKZWIEO-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
Cc1ccc(NCCCCCC(C)C)cc1F	394763136	OBZSEYLXDUOGIQ-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CC(C)(C)NCCCCCCC1CCCCC1	395087751	PNKABODUSUKMHA-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CC/C(=C\C(CC)(CC)CC)CNC(C)C	395128760	PVIWEAGSYYHSIG-SDNWHVSQSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C1CC1)C(C)(C)C	395142571	ZMMSANNEODGGFQ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H](C)c1ccccc1	395225539	AHGRDXAFOXSBEV-HOCLYGCPSA-N	234.383	4.512	0	10	BJAE	
Cc1cc2ccc(C(F)(F)F)c(C)c2s1	396204242	WLXGBFYBZOJMEP-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCc1cc2cc(C(F)F)c(S)cc2s1	396256486	XMNCGDGOIFAQCE-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
COc1cc(C(F)F)c(Cl)c2sccc12	396288454	HNBLYKWDNQJPHV-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC(C)[C@]1(C)C[C@@H]1N[C@@H]1CCCC12CCCCC2	397391551	QRGCPXPRLKFTPW-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCCCCCC(=O)C[C@H](C)CC(F)(F)F	402738025	QODBABFARDRFBX-JTQLQIEISA-N	238.293	4.505	0	10	BJAE	
CC(C)(CCNc1ccccc1Cl)C1CC1	406017172	BDHYLKGMMQLXOK-UHFFFAOYSA-N	237.774	4.578	0	10	BJAE	
CNC/C(=C\C1(C(C)C)CCC1)C1CCCCC1	686130107	KUMYRQPSFDHDOI-FOWTUZBSSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](CCCC1CCC1)c1ccc(C)cc1C	688396905	GOQFSYZMEATVDY-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C[C@H](C)CC(C)(C)C	696548929	DQYYWLMNXRAKJT-UONOGXRCSA-N	241.463	4.993	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1C[C@@H]1C(C)(C)C	699765160	BAQZEQGSDDIINN-CABCVRRESA-N	244.378	4.675	0	10	BJAE	
Clc1ccc(Cl)c(CCC2CC=CC2)c1	700832903	DEWDIXRGNWMGNA-UHFFFAOYSA-N	241.161	4.892	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(C[C@@H]2CC=CCC2)C1	701972881	JILMQOVZYNTZNM-CQSZACIVSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H](C)CC(C)(C)C)cc1	704684181	HPSMYKYTLVFQOJ-XJKSGUPXSA-N	248.410	4.916	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@H]1CCCC[C@H]1C	704843118	CQXRSYIXAKHWTK-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1ccc(C(C)C)cc1	704936664	UHWPMRDAHZLGLV-MRXNPFEDSA-N	232.367	4.590	0	10	BJAE	
CC[C@]1(C[C@H](C)CC(C)(C)C)CCCCCN1	709195421	ZXJVSNGAHICSIN-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@](O)(C[C@H](C)CC(C)(C)C)CC1	709264687	ZUEWQQXWRURTQP-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(O)C[C@@H](C)C(C)(C)C)c1	710800226	OYNXTTIJTCIXCK-PBHICJAKSA-N	248.410	4.583	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1C[C@H]2CCCC[C@@H]21	712510781	SQCBJJZHBNTWIE-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCCN[C@H](C)CC1CCCC1	712589360	QWXOEQGDMKIJIG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H]1CCC[C@H]1C	713221909	NDUVWZVZVAKKDD-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2CCC[C@H]3CCCC[C@H]32)C1	714298637	NLGGVZRMLWVRSJ-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CC(C)NC/C(=C\[C@]1(C)C[C@H]1C)C1CCCCC1	714593332	DLNAVHIDVFQTBC-DYNVFCCOSA-N	249.442	4.537	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)CCCC(C)(F)F	718613679	VGFZQYUZRBYDLA-FMIVXFBMSA-N	247.373	4.536	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@]2(O)CCCCCC2(C)C)C1	719275453	XGPBTKJYRXNJRH-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
C/C(=C\Cl)CSCCCC1CCCC1	1189197584	DSZYGMIBRUSSJG-PKNBQFBNSA-N	232.820	4.833	0	10	BJAE	
Cc1ccc(O)c(-c2ccc3ccsc3c2)c1	1244406484	TXCBXERREGPNSO-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CC(C)(C)CC(C)(C)NCC=Cc1ccccc1	1875518897	BJOKBYLANOCGBY-UHFFFAOYSA-N	245.410	4.504	0	10	BJAE	
CC=CCCCC[C@](C)(F)C(C)(C)F	1893730917	DPUUEGWYPSUEPJ-LBPRGKRZSA-N	204.304	4.599	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CCC(C)(C)C	1900853494	IXKAHUGEDFTPGD-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC(F)(F)CCCCC[C@H]1C=CCC1	1901372143	QDKIPZCZXDKGNO-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)C1(C)CCCCCC1	1908552337	NKKFSZMHBZLUBA-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
C=CC=CCC[C@H](NCCC)c1sccc1C	1912101927	JXHRPRHSHZTNJQ-AWEZNQCLSA-N	249.423	4.620	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1CCC[C@H]2CCCC[C@H]21	1912113286	CZAVKNBFLXMWSW-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@](N)(CC)c1ccc2sccc2c1	1920144965	HNLFKAYUVRAXNJ-HNNXBMFYSA-N	247.407	4.656	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@@H](C)C1CCCC1	1924112083	PVCFUKSVIBBBKB-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@@H]1C=CCCCC1	1925734834	OSADRIHDOSDANQ-OAHLLOKOSA-N	242.362	4.623	0	10	BJAE	
CCC(CC)CCNC[C@H]1CCC[C@H](CC)C1	1926172778	DNZLCTRJCUQQJK-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)[C@H](C)C(C)C	1940414371	IRZWTDJJBAEKTL-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](O)CCC1CCCC1	1941244428	WMDYRHRTQVQLTK-JKSUJKDBSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)CC1CCC(C)(C)CC1	1941269383	PRIUKAJZCOOQGM-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)C1(C)CC1	1941587390	RWXXLSCEPADOLG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CC[C@@H]2C[C@H]2CC1	1941873401	RGFIMKGBTGDUEA-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)C1(CNC(C)C)CCCC1	1942658845	QKKLCPAOGGBPAB-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CCNc1ccnc2ccsc12	1942821654	ZAYFHUTXQSCXMV-LLVKDONJSA-N	248.395	4.535	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C(C)(C)C1CCCCC1	1944618069	JIWBRTPNBLBVMV-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@H]1CCC[C@@H]1C	1944858755	GDKSLLFJWWEORQ-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@H]1CCC1(C)C	1945750009	PENVBVSJKXFBER-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCN[C@H]1CCCC2(CCCC2)C1	1946455332	MQIOGCBFAPVYHZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCC[C@H](F)C1	1946957977	FYNUWZNGZSLZPN-KGLIPLIRSA-N	242.378	4.690	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCC(C)(F)F)NCC	1947989468	YYAHKQWWQUGQGU-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC1CCC([C@@H](N)C2(C)CCCCCC2)CC1	1948978999	BWKLQGLPQRRRRM-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](N)(CCC(C)=C(C)C)[C@@H]1CC1(C)C	1949045266	MXZKQURFILJPFL-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
Cc1ccc(N[C@H](C)CCCC(C)C)cc1	1968258606	BKELOJJHACUGIF-CQSZACIVSA-N	219.372	4.622	0	10	BJAE	
CCCN(Cc1ccccc1)[C@@H](C)CCC(C)C	1968374798	VDRXSDFHFUVSCY-INIZCTEOSA-N	247.426	4.723	0	10	BJAE	
Cc1ccc(OC[C@@H]2CCCC3(CC3)C2)c(C)c1	1968395883	CLOCFXWDHQCJQW-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
Cc1cc(F)ccc1O[C@@H]1CCC2(CCCC2)C1	1968629505	WBHGEBDZVWYCBB-CQSZACIVSA-N	248.341	4.626	0	10	BJAE	
CC1(C)CCC(CN[C@H]2CCC3(CCC3)C2)CC1	1971456298	FGFAMRPPPNDRJF-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)CN[C@H](CC)c1ccc(C)cc1	1973172890	TWWJONCKKICEFQ-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCC[C@@H](C)CNc1ccccc1C1CCC1	1973429244	IUPOJTBSCIHVJH-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)C23CCC(CC2)C3)C1	1973847146	GMQNAEGCEBJMSU-UWEUSHKOSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cc(C(F)F)cs1	1977079029	PYUAUZWRROJLSN-JTQLQIEISA-N	248.338	4.545	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(O)C1(C)CCCC1	1987593532	MRHMMBGYFXXFSY-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC1(CC(=O)c2csc(C)c2C)CC1	1990591016	QBZQNEHEENEOFC-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@@H]2CCC2(C)C)n1	1995460912	DNGRNPNRXHBEOK-PWSUYJOCSA-N	237.412	4.635	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@H](C)C1(C)CCCCC1	1995985663	LDMYIOUZPNMQAS-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](c1ccsc1)[C@]1(C)CC=CCC1	1997546964	RSWRBPFJONEYEY-HUUCEWRRSA-N	249.423	4.535	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1NC1CCCCCCC1	1998747486	BQLOAMLVKODHKW-GOEBONIOSA-N	237.431	4.514	0	10	BJAE	
CCC(F)(F)CC[C@H](NC)C(CC)(CC)CC	2000321310	QCRHWCDWMHAJMR-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@](CC)(CN)[C@H]1C=CCCCCC1	2000502720	PRLANKOSWPYHBT-JKSUJKDBSA-N	237.431	4.668	0	10	BJAE	
CCCC[C@@](C)(CNCC)[C@H](C)CCC(C)C	2000508303	ITCAXFQNNYFIGH-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@H]1CC12CCCC2	2001257448	WWAMLIVMEWMFGX-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@]1(C)CCCCC1(F)F	2002581702	HRIPEEALFURXCX-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)C1CCC(CC)CC1	2002927985	WDUPFGHIPFVYNX-FXQLRMTLSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCC[C@](CN)(CCCC2(C)CC2)C1	2002973373	GCSHGUBMUCGTTL-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](O)CCCC2(C)CC2)C1	2002984914	PUGRZBJWPOKTRV-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N(C)C1CCCCCCC1	2003169841	MYFCQYYGHSYEGY-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCCN[C@@H](CCC)C[C@H]1CCCC2(CC2)C1	2003213046	BLHPJVJFVVIFDX-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)Nc1cnccc1C(C)C	2005892125	ZIFUOYDDCPRPID-ZDUSSCGKSA-N	234.387	4.586	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC1CC(C(C)C)C1	2007752540	VBMGRIWBBBUYQT-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCC[C@H]1CCCC[C@H]1CNCCC	2009611438	LPMMYXFIGOOCNB-TVKHYIBRSA-N	237.431	4.539	0	10	BJAE	
CC=CCCC[C@]1(CNCCC)CC[C@H](C)C1	2009618193	ZYJORSVIIGWRNV-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@H](NC)C1=CC[C@H](CC)CC1	2010765573	QFJIWJYKSVPMII-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCCCC12CC2	2011277025	HFEGUOGPYCNDCA-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCN[C@H](CCC[C@H]1C[C@H]1C)CC(CC)CC	2011575330	GPXUWNPTKAUJKJ-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](N)CCC1CC2(C1)CC(C)(C)C2	2011846201	SQUDLFRZKDQHSX-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@@](CC)(CCC1CCCC1)C(C)C	2012411752	MJYNCNXLHMRUCP-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CC=C([C@@](O)(CC)CCC(C)C)CC1	2013270832	MHLOFFHKQCIFEA-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CC[C@H]1CC1(C)C	2013312192	PYMSYLBRWQSECY-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1C(C)=CCC[C@@H]1C	2013536037	TWILAYULFRHGMX-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@@H]2CCC2(C)C)c(C)c1	2014904534	WDXBZHKZGRGNPO-KBPBESRZSA-N	231.383	4.540	0	10	BJAE	
CC(C)C(CC[C@@H]1CCCC[C@@H](O)C1)C(C)C	2015361161	QBQGFTNGZJNGGS-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)CC1(CNC(C)(C)C)CCCC1	2015394091	KVONLVIPJPKJLN-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CCC[C@@H](C)C2)CCC1	2015598292	SJUBUQKSKMNOHF-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(N)CCC=C(C)C	2016115088	OHEJYPRWROVNNT-OAGGEKHMSA-N	237.431	4.667	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC(C)(C)CC(F)F	2016120674	XHDHJOISMVHOSP-CQSZACIVSA-N	247.373	4.522	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)CC1(C(C)C)CCC1	2017114662	ODHUPHBGRBLVTB-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CCC(=O)CC1(C(C)(C)C)CCC1	2017128069	XJFVOLVUASFQBR-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2(C(C)(C)C)CCC2)C1	2017129831	TZPUTWTYBQYJLK-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(C[C@H](O)[C@H](C)C(C)C)CC1	2017650093	CUCHZTNBWNISQT-LMPOIIKSSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CC[C@H](CNCCCC(C)(C)C)CC1	2017657739	ICQYNKDNSMKRSK-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCCCC[C@H]2N)CC1	2017720848	IILGYFZQUQJGJS-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@](N)(CC)C2CCC2)CC1	2017729734	ZRCKDMMPUKPXMB-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC)CCCC1CCC(CC)CC1	2017735611	GOUUSRPUCISVEW-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(C=C(C)[C@H](N)C(C)C)CC1	2017739942	YBJIVPWMKBSZIR-UYSNPLJNSA-N	237.431	4.523	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCCC12CC2	2018130401	NXIYQLFBCMGUGK-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CC1(CCC)CC1	2018969002	AECAUNNFIOJWFY-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H](C)CC(C)(C)C)CC1	2019005506	GDPGBNYJPKKOHS-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)[C@H](C)C1(C)CCCCC1	2019387835	YZNCVSCWJFFCBL-RRFJBIMHSA-N	239.447	4.712	0	10	BJAE	
Cc1ccc2c(ccn2[C@H]2C=CCCCC2)c1	2019531494	FQCAMGDYRVQBFB-HNNXBMFYSA-N	225.335	4.621	0	10	BJAE	
C[C@](O)(CCC1=CCCCC1)CC1CCCC1	2019774952	XWFYSEDOYLXNMN-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCN(CCC1(C)CC1)C1CCCCCC1	2020508571	VCZBBFKIOUQNTK-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H](C)C1CCCC1	2020969126	YTNGYEIHTCIFSB-BBRMVZONSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@H]1C[C@@H]1C(C)(C)C	2022559449	FRINRCYQBCTCKB-UPJWGTAASA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1CCCC(C)(C)C1	2024129124	SBPXNIDKSAQHRC-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CC(C)(C)C1(C)C	2025017356	AUOXEFSKCIGUJW-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1ccccc1F	2026083199	YKGSRVCPDWHKKB-LBPRGKRZSA-N	236.330	4.615	0	10	BJAE	
CN[C@H](CC[C@@H]1CC1(C)C)C1=CCCCCCC1	2027815817	QJRRVBPCTOBUJX-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@@H](N)CC[C@H]2CC2(C)C)c1	2027828027	XXFHEBNCAWYBOG-HOTGVXAUSA-N	245.410	4.636	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)c1ccc(C2CC2)cc1	2028598771	UQSRQMLQQUSIGR-BLLLJJGKSA-N	245.410	4.636	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NC1CC2(CCCCC2)C1	2028876530	BSQIWVOMMPJIMU-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCNCC(=CC1CC(C)(C)C1)C1CCCCC1	2028893118	WNDJULHRHCEGMQ-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C(=O)CC1C[C@@H]2C[C@H]2C1)C1CCCCC1	2032296546	DQAKGWZUDMICHK-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC1(CCNC2C[C@@H]3CCCC[C@H]3C2)CCCC1	2034145799	MICJOBBVHSEEAR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)C1CC2(CC2)C1	2036192950	ZCBIODDEYZPCHK-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C1CC2(CC2)C1	2036199963	LGJSNBVCAFGYMX-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)c1cccc(C(C)C)c1	2036387689	CMMYVISVUOKBIM-PBHICJAKSA-N	248.410	4.700	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@H]1C=CCCCC1	2037272944	IZZUOACTNWPARU-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@]1([C@@H]2CCC3(CCCC3)C2)CCCN1	2037591404	JAAGKIKHSVPUKD-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2CNC3(CCCCC3)C2)C1	2037720581	JJFNAQGVICZKHP-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCC/C=C/CNC1CC2(CCC(C)(C)CC2)C1	2038941075	QFPDUOZYRBOSJT-VOTSOKGWSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@]2(N)CCCCC23CCCC3)C1	2040167130	VWEXPYFYFMOWLI-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](N)[C@]23CCCC[C@H]2CCC3)C1	2040169813	RLYKCBQKAXBILL-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@@H]1CCCC[C@@H]1CC	2042023974	HKJZNMLYVMOERE-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CCC=CCCC1	2045304851	JQAYXTIWXUJVPB-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
Cc1cc(F)ccc1OC[C@@H]1CCC=CCCC1	2045314042	GDFOUVIURYEIBQ-CQSZACIVSA-N	248.341	4.649	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2CCC=CCCC2)CC1	2045318595	WTXXCSSOSZZIDU-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCC=CCCC2)C[C@@H]1N	2045325183	BZEAQPOYJYLOPV-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H]1CCCC(C)(C)C1	2045392568	VWPLJCHAYBPRLX-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C[C@H](C)c1ccccc1	2045556284	VQDLZDGOHPQBMI-AWEZNQCLSA-N	246.394	4.822	0	10	BJAE	
CC1(C)CC[C@H]1C1(N)CCC2(CCCCC2)CC1	2045658046	PEXFAJJZMRJNPG-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@@H]1CC(C)=C[C@@H](C)C1	2045758859	RKAGYFZYDJHPRJ-XOKHGSTOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@@H]1[C@]1(N)CCCCC12CCCCC2	2047563065	XOBGWUVAHMBCIV-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@H](C[C@@H]2CCC23CCC3)NC)CCC1	2047928481	KKXDUECKWSOGKO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CC[C@H](N)C[C@@H]1CCC12CCC2)C1CC1	2047940101	SDFGCJIDDUALRP-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1[C@H]2CCCCC[C@H]21	2048381475	FPVLSHSTIXEBHD-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@]1(C[C@@H]2CCCC3(CC3)C2)CCCN1	2049856906	MDVWAHPCKKGBQW-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC([C@H](N)C[C@H]2CCCC3(CC3)C2)C1	2049858748	PKUAUDFOUSNSLP-YHNBSYBMSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@H]1CCCC2(CC2)C1)c1ccc(N)cc1	2049860609	SGOIKNJSBNJVRS-CQSZACIVSA-N	241.378	4.643	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@H]2CCC3(CC3)C2)C1	2049935197	GJHGRJDYVXIPHN-IYXRBSQSSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2C[C@@H]3CCCC[C@H]32)CC1	2051600734	YBIKJDMLYOYKDR-TXOGFHGLSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@H]1CCCCC12CC2	2053405933	AYXIWFSDEJEGST-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@@H]1CC[C@H](C)C1	2053921926	HVUWTZSXHZGPBP-VBQJREDUSA-N	245.410	4.636	0	10	BJAE	
CC(C)NC[C@H](C1=CCCCC1)[C@H]1CCC[C@@H]1C	2055271232	RSEFUWBKKIJFLF-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@H]2CCCC=C2C)CC1	2055670507	WYWMPWHNALAYTN-VXLLPVPCSA-N	249.442	4.680	0	10	BJAE	
CC(C)C1CC(C[C@H](C)C(=O)c2ccccc2)C1	2056671701	NYJGHVOQEXDWPB-HLIUYOAVSA-N	244.378	4.578	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C1=CC[C@@H](C)CC1	2060915101	XHGKAHQANLDTCE-CXAGYDPISA-N	243.394	4.556	0	10	BJAE	
CCN[C@H](CC(C)(C)C1CC1)C1=CC[C@@H](C)CC1	2060930485	SQDVFWXEWOQGGF-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)[C@H]2CCCC(C)(C)C2)CC1	2061116323	PBMPOZSCJTZZSC-CWRNSKLLSA-N	249.442	4.667	0	10	BJAE	
CC(=CCCNC(C)C)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063492053	WJWMTVNXAMKAEG-BJWYYQGGSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]1C[C@H](CCC=C(C)C)CC2(CCC2)C1	2063642768	YGXFLTNTMCIJJE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C23CCCC2CCC3)C1	2063861604	SBHRJPPDKZTYQR-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@H](NCCC12CCC(CC1)CC2)C1CCCC1	2065258899	KURJSZPPNHTGEF-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CNCCC23CCC(CC2)CC3)CC1	2065261339	XBLOCXLFAMCOIO-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
N[C@H](CC12CCC(CC1)CC2)C1CCCCCC1	2065281747	JEHJZEFZHCZOAH-ARWYELJZSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc2c(c1)CCC2	2065990428	NODVLBMILKKNQC-MRXNPFEDSA-N	245.410	4.802	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C[C@H]2CC23CCC3)CC1	2069176902	SOJGHVJSUJSZGS-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](C[C@H]2CC23CCC3)NCC)CCC1	2069181276	DYJGJNULZZTORJ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)C1(CC(C)C)CC1	2069517477	MTYQNIPSEHVMAH-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)CC1(C(C)C)CCC1	2071954150	SKPVXYKFHLCCND-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCC(C)=C(C)[C@H]2N)CC1	2072807399	VVGLECYPUBCWKI-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(C=C2CNCC[C@@H]2CC)CC1	2072821298	ZKILQSHOSWEBRR-GPANFISMSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@]12CCCC[C@H]1C2	2074090392	JIESJMUPKURKCN-YOEHRIQHSA-N	239.362	4.530	0	10	BJAE	
CCCC1(CN(C)[C@H]2CCCC3(CCC3)C2)CC1	2074601794	UBAVYYYCJJIKND-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CN(C1CCC(C)(C)CC1)[C@@H]1C=CCCCCC1	2074811382	VGZMIGSFWGOZSM-OAHLLOKOSA-N	249.442	4.776	0	10	BJAE	
CCCC[C@H](CC)CN1CC=CCC12CCCC2	2074906694	SIRSCRSFSZHXRM-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CCCCCN(Cc1c(C)cccc1C)C(C)C	2074919983	ZANUQALBXDGTML-UHFFFAOYSA-N	247.426	4.704	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1CC2CCC1CC2	2077188884	BPGIAZDCXSTBKC-KMZOKZLKSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CNc1ccccc1C1CC1	2079623254	FVJLOUCVDBCACN-HIFRSBDPSA-N	243.394	4.658	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@]1(N)CCCCC12CCC2	2079661620	QFQOYSFSZSUPQJ-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@@H]1C1CCCC1)C1CCC1	2079865629	PERUZCSAIKZPIS-DZGCQCFKSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H]1C[C@@H](C2CCC2)C12CCCCCC2	2083324517	FVUBORZTMFQJSC-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(CC23CCC(CC2)CC3)C1	2085305135	JPKSYBOPIVRKJE-MNAZLIDISA-N	249.442	4.501	0	10	BJAE	
Cc1cccn1CCCCCCCC1CC1	2212464158	UHUZSIBYGLHZNQ-UHFFFAOYSA-N	219.372	4.547	0	10	BJAE	
Cc1csc([C@@H](N)CCC2=CCCCC2)c1C	2213641084	KSNONZFPHBZIGB-AWEZNQCLSA-N	249.423	4.645	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H]1CCC[C@H](C(C)(C)C)C1	2216260240	WURHKMIAKAEIFR-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C2C[C@H]3CCC[C@H](C2)C3)C1	2218341856	XBRCRZWKLSJNFL-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
c1ccc(C2CC2)c(NC2CC(CC3CC3)C2)c1	2218479157	YPLRQNKXBLMCHT-UHFFFAOYSA-N	241.378	4.555	0	10	BJAE	
C1CC[C@H]([C@H]2CCC[C@H]2CCCCC2CC2)NC1	2220042335	SQIXGKFQIQYHNM-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2221640657	NUCHRLTXLANFRJ-WBTNSWJXSA-N	246.394	4.518	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2CC(=C3CC3)C2)CC1	2221646853	XJDXWJNVYBHZSC-KRWDZBQOSA-N	244.378	4.583	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CC(C)C2)CC=C(C)CC1	2223590203	VKTQYLWVXWNOJK-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@H](N)c1ccc(C2CCC2)cc1	2223688226	NHAVGXNMIVUCQX-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
Fc1ccc(F)c(CC2=CCCCC2)c1Cl	2243245080	IAKNRUXLDNJETM-UHFFFAOYSA-N	242.696	4.661	0	10	BJAE	
C=CC=CCCc1cc(C)c2sccc2c1	2243751349	VRGUTUYGFQHPFK-UHFFFAOYSA-N	228.360	4.885	0	10	BJAE	
CCCCCC(CCCCC)NCC=CCl	2246237502	FLZJMFDUIVSFTO-UHFFFAOYSA-N	245.838	4.858	0	10	BJAE	
CCCC(CCC)Nc1ccc(F)c(C)c1F	2246370669	WEDKCHMVXPJHKE-UHFFFAOYSA-N	241.325	4.654	0	10	BJAE	
CCCNCC(C)(C)CC[C@H]1CCC[C@@H](C)C1	2246662567	HAYSPNXVVWWVIU-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@]1(CC[C@H]2CCC[C@@H](C)C2)CCCN1	2246729899	UXTALGXAVBJNRQ-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@H]2CCC2(C)C)CC1	2247347913	NSMUFSSXCLZFOS-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2CCC2(C)C)CC1	2247392629	YPILPHLLESCSEZ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H]1C[C@](C)(N)CC1CCCCC1	2247444691	NJRBCWCTYISSBF-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(C2CC2)ccc1F	2250120552	FFYDFTDUFCFXTE-LLVKDONJSA-N	235.346	4.694	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H](CC)CCC	2250374880	YGSBVVKGGLJURT-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CNC[C@H](C)[C@@H](C)CC[C@H](C)CCCC(C)C	2250468467	DKCAYDLTBVBIRJ-PMPSAXMXSA-N	241.463	4.721	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@]12CCCC[C@H]1CC2	2251149585	MHNPZKYDBGNGGH-BBRMVZONSA-N	236.399	4.742	0	10	BJAE	
Fc1ccc(CCC[C@@H]2C=CCCCC2)cc1	2252627851	ZXVSBDPCHKXGPB-CQSZACIVSA-N	232.342	4.895	0	10	BJAE	
N[C@@H](C[C@H]1CCCCC12CC2)C1CCCCCC1	2253832025	LPIAQWXMGMOYJT-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCC1=CCC[C@]1(N)CC[C@@H]1CCCCC12CC2	2253847818	BPMWKLHEVPRSCU-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@@H]2C=CCCC2(C)C)C1	2253962530	MNVQIUUJAZKOJI-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@@H](N)CCCC[C@@H]2C[C@@H]2C)c1C	2254609073	LUZYBPMJUHIZGU-LXZKKBNFSA-N	245.410	4.520	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@H]2CCCC23CC3)C1	2255333077	LSBMSJYIWWHJGH-ROKHWSDSSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@](C)(O)Cc1ccc(CCC)cc1	2256229480	DDQDVVCSIHGRHO-QGZVFWFLSA-N	248.410	4.513	0	10	BJAE	
Cc1cc(F)ccc1NCCCCC[C@H]1C[C@@H]1C	2257328503	RBMWBNOXCPTRKY-JSGCOSHPSA-N	249.373	4.762	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCN[C@H](C)c1ccccc1	2257338615	HZCDNAOPXBORAL-ZMSDIMECSA-N	245.410	4.554	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@H]1CCC[C@H](C)C1)C2	2259569764	OCEYVNGUXFRACY-PHUJGXCVSA-N	248.410	4.598	0	10	BJAE	
N[C@H](C[C@]12CCC[C@@H]1CC2)C1CCCCCCC1	2260587900	PKWRGLSQOSCXIH-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@@]12CCC[C@H]1CC2)C1(CC)CCC1	2260598273	AHDXSSFBXXIRBS-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](c2cccc(C3CCCC3)c2)N1	2260665523	WDMXCMPWIPWXIE-GUYCJALGSA-N	243.394	4.547	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2260677415	FOPFODZVSLUXSG-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CC[C@H](N)CC[C@H]2CCCC23CC3)C1	2261488657	IRUIJXDNWVEKPT-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@H]1C=CCCCC1	2300496013	FBWLEWUZFHZUPK-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)CC[C@H](O)C1(C(C)(C)C)CCC1	2300682058	VKHOPEXSGPIWTO-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C[C@H]1C[C@@H]1CC	2300699940	IUISNBWCRBCCLR-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](NC)C1(CC(C)C)CC1	2300702549	XKRSEKDYGFGNKE-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CNCC=C(C)CC)CC1	2300867485	MPSQZXVWJVNAMO-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1C[C@H]1C(=O)CC=C(C)CCCC(C)C	2300877386	PWNWOVCEYQKIEY-LSDHHAIUSA-N	236.399	4.764	0	10	BJAE	
CCC(C)=CCN(C)[C@@H]1CCC[C@@H](CC)CC1	2300881415	SBOSPLVKKISLIK-HZPDHXFCSA-N	237.431	4.633	0	10	BJAE	
N[C@]1(CC2CCCCCC2)CCC=CCCC1	2301140783	RWYMAAJMTNQPBG-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CN(CCC1=CCCCC1)c1ccccc1Cl	2301368391	KYLRDEXDXRORKQ-UHFFFAOYSA-N	249.785	4.667	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1ccc(C)c(C)c1	2307894811	NXXDAAIKTBQTSG-GDBMZVCRSA-N	233.399	4.520	0	10	BJAE	
C[C@@]12CC[C@H](Nc3cccc(C4CCC4)c3)[C@@H]1C2	2310555665	USHDOIXPQDRADL-ULQDDVLXSA-N	241.378	4.555	0	10	BJAE	
CC[C@H]1CC[C@H](C=C(C)[C@H]2CC[C@H](N)CC2)CC1	2311766263	FIWDUVBRHDREPL-GARHLSDISA-N	249.442	4.667	0	10	BJAE	
CCC[C@@](O)(c1ccccc1)[C@@H](C)CC1CCC1	2313586012	BNQALSPVKKIIEI-YOEHRIQHSA-N	246.394	4.501	0	10	BJAE	
CCC1(CC)CCCN1C(CC1CC1)CC1CC1	2313599932	MOOPPBNCXDZMOW-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CCN[C@H]1C[C@H](CC=C(C)CC)CC2(CCC2)C1	2316568216	OEPNFONKQKBYGF-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@@H](N)c1cocc1C)CCCC(C)C	2316578210	DHGDVBQVRUKKPK-MRXNPFEDSA-N	249.398	4.751	0	10	BJAE	
C[C@](N)(CC1CCCCCC1)[C@@]12CCCC[C@H]1C2	2316884221	GQWARCCINKSHSK-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC)c1cccc(CCCC(C)C)c1	2318391739	OORMZDKYAZGIOB-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CC1(C[C@@H](N)CCCCC2CC2)CC2(CCC2)C1	2318873514	AGLKPMQFMRGSHX-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC1CC(C=CC2(N)CCCCC2)C1	2318956619	IMALMMGEVPTVIJ-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CCC(C)=CCC(=O)c1cc(F)ccc1C1CC1	2319172809	BELZJNQFYUYXOO-UHFFFAOYSA-N	246.325	4.632	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1N[C@@H]1CCCCC12CCC2	2320144091	LQZIQXQMGKGEJW-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC[C@@H]2CC(C)C)CC1	2320333137	DQAHZROCMFUTAC-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc(CN[C@@H](C)[C@@H](C)C(C)C)c1	2320606978	WYBNSBXBCYPQQC-GJZGRUSLSA-N	247.426	4.580	0	10	BJAE	
CCCC[C@@](C)(CN)Cc1cccc(C(C)C)c1	2320659655	GDJPNHWBPBKMHE-QGZVFWFLSA-N	247.426	4.508	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc([C@H]2C[C@H]2C)o1	2328305918	DUDPLEWEOKRGRG-AGIUHOORSA-N	248.366	4.802	0	10	BJAE	
CCO[C@@H](C=C(CC)CC)c1ccccc1	5307130	OBONOXHOJSGALN-HNNXBMFYSA-N	218.340	4.511	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cccc(C(F)(F)F)c1	19232662	FEBKFBZRSABTKQ-UWVGGRQHSA-N	245.288	4.552	0	10	BJAE	
CC1CCC(Nc2cccc3c2CCCC3)CC1	21010218	WUGQCKANESSUDB-UHFFFAOYSA-N	243.394	4.556	0	10	BJAE	
C1=C(c2ccccc2)SC2=C(C1)CCCC2	37625794	QRZDBJGWGOPUPO-UHFFFAOYSA-N	228.360	4.993	0	10	BJAE	
Cc1cn(Cc2ccc(C(C)C)cc2)c(C)c1C	69233735	BRYWXWNGTNPNER-UHFFFAOYSA-N	241.378	4.585	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cccc(Cl)c2)C1	70562196	FYMXAIAMOJIHMF-WCQYABFASA-N	237.774	4.721	0	10	BJAE	
CCCC[C@@H](CC)CCCC(=O)C(C)(C)C	70740033	OFALGQHGOXTXAL-CYBMUJFWSA-N	226.404	4.988	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H](C)CCCC(C)C	70978083	ZPPHJXLXHISXNP-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@]1(O)CCC[C@@H](CC)C1	71126988	NXRCEIXWISUYOZ-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CCC[C@@H](NCC)c1ccccc1	80424824	PNLRKECPFKHOQD-NVXWUHKLSA-N	247.426	4.944	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@H](C3CC3)C2)ccc1F	81638841	QZCSDOZPQQJKIX-KBPBESRZSA-N	247.357	4.515	0	10	BJAE	
CCC(=O)c1cc2c(C)ccc(C(C)(C)C)c2o1	88071690	WKLOWWFHUNGSSD-UHFFFAOYSA-N	244.334	4.631	0	10	BJAE	
CCCCCC[C@@H](NC)c1c(C)cc(C)cc1C	97468214	RCFVFQUEVHWSQF-MRXNPFEDSA-N	247.426	4.843	0	10	BJAE	
Cc1ccc([C@H](C)C[C@H]2O[C@H]2C)cc1C(C)(C)C	107636721	LGUGNTRIDKOVJG-DVOMOZLQSA-N	246.394	4.573	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)c1cccc(C)c1	109725836	RLQQCQVKRIMSAC-YOEHRIQHSA-N	247.426	4.862	0	10	BJAE	
CCC[C@@H](CC)N[C@H](CC)c1ccc(CC)cc1	109944537	HTBZQHKNSPOIAZ-IAGOWNOFSA-N	247.426	4.868	0	10	BJAE	
CCCCC[C@H](NC)c1ccc2ccccc2c1	110446653	XEGFOQPFQDSZGX-KRWDZBQOSA-N	241.378	4.681	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC[C@@H](C)C2CC2)cc1	124948754	LFKCJKPQBCGFNC-KGLIPLIRSA-N	245.410	4.507	0	10	BJAE	
CC(C)c1csc([C@@H]2CCC[C@H](C)C2)n1	131968924	JJAWJFCONAVIAD-WDEREUQCSA-N	223.385	4.560	0	10	BJAE	
CCCCC[C@H](CC(CC)CC)NCCC	133416078	LORXMIDDMBEYBN-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
Cc1ccc(O)c(-c2ccc3ccccc3c2)c1	156669537	WAQAVMYRNDEKCL-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
Cc1ccc(F)c(C(=O)C2CCCCCCC2)c1	158838366	NEUBAYDHFFWORM-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC1=CCCCC1	161373151	FEYACYJNEBWKIV-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC(O)(CCC)c1ccc(C(C)C)cc1	165439233	JBMLSMRSWSOVBS-UHFFFAOYSA-N	234.383	4.598	0	10	BJAE	
CCC(CC)(CCCC(C)C)CNC(C)C	166080301	IFDZIDPEBCNWJN-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@@]1(C2CCCCCC2)CCCCCN1	167807719	YSCPXTNMLSBYBP-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C(C)(C)CC	167832170	VOMCEXRJVAFZEB-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
CCCC(CCC)[C@H](O)c1ccc(C)cc1C	211964424	VBVTXDLNONGSCH-INIZCTEOSA-N	234.383	4.553	0	10	BJAE	
Clc1cc(Cl)cc(-c2ccsc2)c1	217506842	DWRWXYQMNUUUJT-UHFFFAOYSA-N	229.131	4.722	0	10	BJAE	
CC[C@@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)c1ccccc1	226160905	KYKCOLWWHLYKFR-WTTBNOFXSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCC[C@@H](C(C)C)C2)c1	230986401	COADMUYRAQJSMQ-CVEARBPZSA-N	245.410	4.930	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](NCC)[C@H]1C	251314668	JIBCDUDABYTHQB-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	253045215	OUKZQTPKAFOKPY-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@H]2CC[C@H](C)CC2)c1	253138125	UYYCZFHYGANYEI-DAXOMENPSA-N	245.410	4.533	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CC2CCCCC2)C[C@H]1C	253196645	TWOBJSFORKEEFP-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CC(=O)CCCc1c(C)cc(C(C)(C)C)cc1C	259046242	DJWAIBWFRIOLMA-UHFFFAOYSA-N	246.394	4.513	0	10	BJAE	
C[C@@H](CCCCC(C)(C)C)CNC(C)(C)C	300787570	BZNFFGVDPKWHHE-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCCC1CCCC1)C1CCCC1	302241745	FIRCGXDAGWIMFU-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccccc1N[C@H]1/C=C/CCCCC1	302433698	MUKURZZTQINXEV-JCSUNJAGSA-N	243.394	4.940	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1csc2ccccc12	304529148	QGQRXYLTRWIXNO-NSHDSACASA-N	246.375	4.766	0	10	BJAE	
CC(C)CNC[C@H](C)[C@@H](C)CCCC(C)(C)C	305907179	GFFNNHNPCWMHAX-GJZGRUSLSA-N	241.463	4.721	0	10	BJAE	
CC(C)CNC[C@@H](C)[C@H](C)CCCC(C)(C)C	305907180	GFFNNHNPCWMHAX-HUUCEWRRSA-N	241.463	4.721	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)CCC1CCCCC1	305956276	NUTIKWFUBVHIKP-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccccc1[C@H](O)[C@@H](CC)CC(C)C	308030340	NPMZMLPPOGJQCK-WMLDXEAASA-N	248.410	4.745	0	10	BJAE	
CC[C@H](N[C@H](CC)CC1CC1)c1cccc(C)c1	310710817	ULSYFDPDZHEWTO-SJORKVTESA-N	245.410	4.614	0	10	BJAE	
Cc1cccc([C@H](N)C[C@H]2CCC[C@H](C)C2)c1C	311031786	SVQVBLKQANICBN-YLQAJVPDSA-N	245.410	4.520	0	10	BJAE	
CCC[C@@H](Nc1cccc(F)c1)C1CCCC1	313401319	UUHRFCJDPAQRRK-OAHLLOKOSA-N	235.346	4.597	0	10	BJAE	
CC(C)CCCCCNCCCC(C)(C)C	313486063	PKKLIVFUMHUVSZ-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC(C)(C/C=C/c1ccccc1)CNC(C)(C)C	318174964	CLQSLNCUSAPTNV-FMIVXFBMSA-N	245.410	4.504	0	10	BJAE	
CCCCC[C@@]1(CNCCC)CCCC[C@@H]1C	319097254	DKQRXNICRSNZJK-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
CC(C)[C@H](C)/C=C(\CNC1CC1)C1CCCCC1	381307887	LEKBQBORGDCNBG-DSQDWWTGSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C[C@H](O)C1(C)CCCC1)C1CCCCC1	382420215	QSKXRCLXSWOXHR-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](CC)(CN)CC1CCC(C)CC1	383685427	PQLODEHEWCUEKS-GPANFISMSA-N	239.447	4.748	0	10	BJAE	
C[C@@H](C[C@]1(N)CCC[C@@H](C)C1)C1CCCCC1	383687430	SELJDORXOMQDDJ-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCc1ccccc1[C@@H](N)C(C)(C)C(C)(C)C	384451873	ADNAFUQVKJTZTP-OAHLLOKOSA-N	247.426	4.711	0	10	BJAE	
Cc1c(N)cccc1-c1ccc2ccccc2c1C	384678192	FQXJGCGCRXBZIF-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
Cc1cc(C)c2[nH]c(C(C(C)C)C(C)C)nc2c1	385339341	VVOVMNPBIBNLGB-UHFFFAOYSA-N	244.382	4.575	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	386245242	RUQSNRCNMMDRCK-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
Cc1cscc1N[C@H]1C[C@H](C)c2ccccc21	387365505	VNULDYYOWORMHC-HZMBPMFUSA-N	243.375	4.717	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1(C)CCCC1	390645611	MFGPENDKSBMXNB-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](Nc1c(C)cccc1F)[C@H]1CC1(C)C	397828012	WKXJFAMAVYTYAB-TZMCWYRMSA-N	249.373	4.761	0	10	BJAE	
CCCNC/C(=C/[C@@H]1CCCC[C@H]1CC)CC	401748748	MQNUTDBDVJCIPL-VSFMZDRDSA-N	237.431	4.539	0	10	BJAE	
C/C(=C/CCNC(C)C)CCC(C)(C)C1CC1	405957336	LUMMMPCFEAGCCQ-AUWJEWJLSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1cccc([C@H](N)CCC2CCCC2)c1	688913186	IJSSIWRTWGRFAC-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)c1cccc(C(C)C)c1	688923689	DQHUYYPZRXHYQL-CABCVRRESA-N	247.426	4.692	0	10	BJAE	
CCC[C@H](Nc1cccc(C2CCC2)c1)C1CC1	690122404	RZRWAGUGEYLRSU-KRWDZBQOSA-N	243.394	4.945	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H]1CCCC2(CC2)C1	695986135	QUFIZKPLSHYHHR-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC)CCCCC(C)(C)CC	696693088	UXRKILQSEGIWIQ-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CC(C)=CCCCC(C)(C)CC(F)F	698015498	OHFUMEBCQVHXGF-UHFFFAOYSA-N	204.304	4.804	0	10	BJAE	
CCCc1ccccc1O[C@H]1CCCC[C@@H]1CC	699505896	HVFWNMKQJXIGMD-HOCLYGCPSA-N	246.394	4.987	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)c1cccc2ccsc12	702208392	ZLUUTXICNAYPMH-HNNXBMFYSA-N	244.359	4.520	0	10	BJAE	
CCCNCC1(CCC=C(C)C)CCCCC1	704666491	SIIUCJGCEMJRJB-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)c1ccc(C(C)(C)C)cc1	704911077	FLNGWIDMSHZXNT-QGZVFWFLSA-N	247.426	4.594	0	10	BJAE	
CC1CCC(Oc2cccc3sccc23)CC1	705077641	RIQZPUDXRBYZRF-UHFFFAOYSA-N	246.375	4.859	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@H](C)CC(C)(C)C	708248812	LHXABSLTFOQDHF-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1C[C@@H](N[C@H]2CCCC3(CC3)C2)CC(C)(C)C1	708873017	XEQXVJFIPPMYDU-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC[C@@H](N)c1ccccc1)CC(C)(C)C	709100042	DZFKGTRPIISZDX-DZGCQCFKSA-N	233.399	4.539	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@]23CCCC[C@@H]2C3)c(C)c1	709109599	JKVYIXWIAIVIEL-BFYDXBDKSA-N	243.394	4.684	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H](C)CC(C)(C)C)NC	709128953	NIJXGKPVJAHPHQ-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
CCCC1(N[C@H](C)[C@@]23CCCC[C@H]2C3)CCCC1	709164864	LIPJWZATEVPYHF-VYDXJSESSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@H]2CC3CCC2CC3)C1	709436570	RJYRKXMMYZVUMJ-NVDSNGLKSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C2CCC3(CC2)CC3)C1	709976608	IMKIJYLATPVGJK-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@H]3CC[C@H](C3)C2)c1Cl	710923323	GEZKMOZMDHZYMU-CLLJXQQHSA-N	249.785	4.639	0	10	BJAE	
C[C@H]1C[C@H](CCCC2CCC2)c2ccccc2N1	711195559	QWIYOKLNBJHJTQ-ZFWWWQNUSA-N	243.394	4.945	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CC[C@H]3CCCC[C@H]3N2)C1	712301587	ZBLQFGOFVQRCAK-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC(C)(C)C(C)C)NCC	713216515	LMBSZWZYNKUTBC-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C/CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	713672083	DJINSGDQFMRHKF-XJEJTNKKSA-N	246.394	4.684	0	10	BJAE	
C=C/C=C/CC[C@]1(CNCC)CCC[C@@H](CC)C1	713700588	LTCMPRPUKYDCND-PWHGLLLSSA-N	249.442	4.705	0	10	BJAE	
C=C/C=C/CCC(=O)c1ccc2ccccc2c1	713735838	BYFLABXLBHKJHB-ONEGZZNKSA-N	236.314	4.545	0	10	BJAE	
C/C=C/C[C@H](C)c1ccc2c(c1)CCCC2	714539326	GNAMXQVOBULZOO-OOPCZODUSA-N	214.352	4.635	0	10	BJAE	
O=C(CCC1CCCC1)c1ccc(C2CC2)s1	716656621	FNIYGKGWLPXHJB-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCCCCC1(C)C	719193278	ORSJWRLJMPFLOU-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCCC2(CC2)C1	723568041	HAIBRMHBBBZORX-HNNXBMFYSA-N	243.394	4.774	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC2CC(C)(C)C2)C1	723568954	LVZCKEJHAMQOQQ-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(N)ccc1-c1cccc(C(C)(C)C)c1	1244370609	OCYLCFDOMMUGQF-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CCCC[C@@H](N[C@H](C)CC1CCC1)C1CCC1	1621315159	BEGNCELONWEGLE-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CC1CCCC1)NC[C@H]1CCC=CCCC1	1660873002	HGRWQFUUMJXWPP-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCCCc1ccc(Cl)cc1	1885374562	URHHHQZYURMSPU-NSCUHMNNSA-N	208.732	4.629	0	10	BJAE	
CCC(C)=CCCCCCC(F)(F)F	1888060985	MTRJRQUCSMONSI-UHFFFAOYSA-N	208.267	4.856	0	10	BJAE	
CCC[C@@H](CC)COc1ccc(C)c(C)c1	1905446373	UJULBNDEBYYMPJ-CQSZACIVSA-N	220.356	4.509	0	10	BJAE	
CC=C[C@H](C)Cc1cc(C)c(C)cc1Cl	1911850889	QYQYJAQTPMJANY-JTQLQIEISA-N	222.759	4.712	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H]1C[C@H]1C(C)(C)C	1912036572	KFFDOBZWFPVBGJ-XHSDSOJGSA-N	249.442	4.559	0	10	BJAE	
N[C@@H](CCC1CCCC1)C1CC2(CCCCC2)C1	1912643701	BSBLPHLQEBPYAA-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCCF)C[C@@H](CC)C(C)(C)C	1913240943	FTMBGFPPZDLKIN-ZIAGYGMSSA-N	245.426	4.567	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1CCCCCCCC[C@H]1O	1913402689	FXLGOXOKZUFYGW-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCC3(CCCC3)C2)c1	1916438262	OLCWEDPGDDUYFY-ZDUSSCGKSA-N	247.357	4.659	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CC1(C)CCCC1	1919947390	JKYQNHOXPSDMII-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCC1CCCCC1	1919963977	ZZMJVIGJDPUOKA-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1921540801	IOLQSKYGYFWGBB-XJNFMUPTSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](O)c1cc(Cl)sc1C	1933601406	AORCPRPIPNVCBZ-LLVKDONJSA-N	246.803	4.714	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H](CC(C)C)C(C)C	1936209314	NFVSVUPGBXMKQP-ZIAGYGMSSA-N	226.404	4.700	0	10	BJAE	
CC(C)CC[C@@H](C)Oc1cc(F)ccc1Cl	1937173916	LHWDHNQDAWABQQ-SNVBAGLBSA-N	244.737	4.683	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)CCC1CCCC1	1940875642	JBWQNGZTZGIYEB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNCC(C)(CC)CC	1941358946	VFHZBWRNRRODJF-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCCCC1(CNC(C)(C)C)CC(C)(C)C1	1941982065	NNLDIRCBYBGKQU-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@H](N)C(C)(C)C1CCCCC1	1944678818	CNVYNKALROKBIU-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)C1=CCCCCCC1	1948952145	UBZGESWSLZNGKE-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@H]1CC[C@@H](C)C1	1949518433	MBDTTWLDROEPIG-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)C(=O)CC1CC2(CCC2)C1	1949841912	DAMPXSYSVDBUOG-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC[C@@H](C)C[C@H](N)CC1CCCCC1	1949906969	JOQFTKJKCAIGPN-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CC2CCCC2)CC1	1950922669	PJUKUKZDPONTAY-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(CCCC(C)(C)C)CC1	1950931540	XMXDKOYRTFPYAV-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
CC=CC[C@H](C)c1cc(C)c(OCC)cc1C	1951308469	HLJRKVOLUNZHMY-LBPRGKRZSA-N	232.367	4.772	0	10	BJAE	
CCC=CC[C@@H](C)c1cc(F)ccc1OCC	1951308857	PHBFOEQXJBRRJV-GFCCVEGCSA-N	236.330	4.684	0	10	BJAE	
Clc1cccc(NC(CC2CC2)CC2CC2)c1	1968260309	PJQJCQGUZVYFMH-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCC[C@@H](C)[C@@H]1C	1968347004	UYJHZAFZZXLJDW-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](CC)C1CCCCC1	1969165044	LELXEKMFBZJFHI-CJNGLKHVSA-N	239.447	4.760	0	10	BJAE	
C[C@H](CCC1CC1)Nc1cccc2ccsc12	1971686545	SBKZDLSJCXSZJT-LLVKDONJSA-N	245.391	4.892	0	10	BJAE	
CCCCC[C@@H](NCC)C1(CCC)CCC1	1978562610	HPEWROUXGARZCP-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC(CCC)C(=O)CC1(CCC)CC1	1990602295	SKBNZAAEJQHDJW-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC1(C)CCC1	1995263109	QMKDMHVSEKMTBE-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H](O)CCC2CCCCC2)C1	1996271179	QTTOKGJMJUBOFZ-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](C)C1CCC(C)CC1	1996595401	VNNSBMNBRRGLIY-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1CCC1)CC(C)(C)C(C)C	1998048291	WHPUQUJALAGTGT-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCCC1(CNC(C)C)CC(C(C)(C)C)C1	1998240305	MTUISSPXUYYRGU-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H](C)c1cccs1	1998381504	XEVAAQDYHUNIKO-CHWSQXEVSA-N	249.423	4.678	0	10	BJAE	
CC(C)CC(C)(C)NC[C@H]1CCC=CCCC1	1999989103	WXFFDSZXFLWYOJ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC=CCCC1)c1ccsc1	1999992024	TVTDLICYHFPMLS-HIFRSBDPSA-N	249.423	4.535	0	10	BJAE	
Clc1ccccc1NC[C@H]1CCC=CCCC1	1999995232	CGCXUOQJMDXXPB-ZDUSSCGKSA-N	249.785	4.888	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)C[C@@H]1CCC=CCCC1	1999995823	JDUUWDYFUKTOAA-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CCCC(CCC)[C@@H](O)[C@@H]1CCCC(C)(C)C1	2000022637	BMPBYZMMOAEFCA-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)C[C@H]1C=CCCC1	2000523419	ORIZWEBBRYDVPU-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CC=C(C)C)[C@@H]1CCCC(C)(C)CC1	2004226001	LIUQHUXIHJEHGH-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1CCCCCC1	2004235076	WNDIACXAXRWYEZ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC1(C[C@@H](N)C2(C)CCCCCCC2)CCC1	2004920912	PGFOQSIBAUWZMF-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@H]1C[C@@H](NCCC)C[C@H](CC)C1	2006625474	XRDQZWWVZDPLCK-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)C1(C)CCC(C)CC1	2007693605	RELHKIXNMGALDY-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CC1(CC[C@@H](O)c2cc3ccccc3s2)CC1	2009534805	JQTAWTAXQMOFBM-GFCCVEGCSA-N	246.375	4.515	0	10	BJAE	
CC=CCCCc1ccc([C@@H]2CC2(F)F)cc1	2009589666	BORLMIPZMSGDHG-AWEZNQCLSA-N	236.305	4.708	0	10	BJAE	
CC=CCCCC1(CNCC)CCCCCC1	2009617280	QSOSTCSMGUXIMU-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H](C)CC(C)(C)C	2009633731	BMPXJBUKWQYCKE-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](CC)CNC(CC)(CC)C(F)F	2009703513	GDKTWXWDAHZBIT-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCCCC1CC(N(C)CCC=C(C)C)C1	2009781161	HYJPARVGJMGIQT-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
C/C=C/CCCN[C@@H]1CCCC[C@@H]1C(C)(C)C	2011437937	KSPLJLNHNPRNGW-ICWYTKJFSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@](CC)(CCC(C)=C(C)C)C(C)C	2012421894	QHNKONLASILNCZ-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CCCC[C@H](CCC12CCC(CC1)C2)NCC	2012829844	LXGYCTTYSRLPFJ-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CSc1cccc(N[C@H](C)[C@@H]2CCC2(C)C)c1	2014901141	MRTHMGXFOTYRGQ-RISCZKNCSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CCC(C(C)C)C(C)C)C1	2015346253	CIQCUQKAPOWHAF-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCCN1CCC(C(C)C)C(C)C	2015391631	CXQSENJXHJFDDA-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C[C@H]1C[C@@H]1CC	2016851552	IZUHXPYRHBRRJE-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)C1(C(C)(C)C)CCC1	2017131112	LLTSBWMNQJISMW-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)c1cccc2sccc12	2017239561	TZSGFWFQNMGUPG-WDEREUQCSA-N	244.359	4.520	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NC[C@H]1CC[C@H](C)CC1	2017650065	COHRQZZEURISRU-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](O)C2CCCCCC2)CC1	2017651242	RCJCUMCBIDNSKR-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)CCC(C)(C)C)CC1	2017654168	BDIAHSWGVQTMQG-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(C[C@@H]2CCC(=O)[C@H]2CC)CC1	2017774638	QZTPMNDGUCQMBN-WUCCLRPBSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1(CC)CC1)NCC	2018999785	MRWQYGLEPUWWDN-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(N(C)C2(C)CCCCC2)CC1	2019162904	XIPJSEWOBHGVMX-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CCCCC[C@@H](N)[C@@H]1C[C@@H]1C1CCCCCC1	2022536390	RBIXWZLHDUTWEU-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@H]1CC[C@@H](N)CC1	2023554116	XJNBGFBLAZCFCV-QXSJWSMHSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CCC2CCCCC2)C1	2024122671	GHBSGWNCDXZUEM-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1C[C@@H]1CCC	2026078329	COFJFVMSPZYPNG-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CCC1CCC1)NC	2026166748	MDWFQIVWRFCWJW-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@@H]1CCCC2(CC2)C1	2028646036	UVSSENUJXQIFKG-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc([C@](C)(N)[C@@H](C)CCC(C)C)c1	2029822321	AZKVETWVJXGHBR-DOTOQJQBSA-N	247.426	4.550	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNC(C)(C)C2CCCC2)C1	2033145934	ZZLWYHBWLIXFTQ-DZGCQCFKSA-N	249.442	4.537	0	10	BJAE	
CC1(CNC2CC(C3CCCCC3)C2)CCCC1	2033831303	VJYPMDCXUWVMCW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@H]1CCC[C@H](C)C1	2037105348	ZSKUTJQNZYGAPF-JKQORVJESA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(C2CC3(CCC3)C2)CC1	2037135247	GTLSIUDQQTYQOO-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC1CCC=CCC1	2037207674	DMFZJQPBBVDJMN-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(C[C@H]2C=CCCCC2)C1	2037272886	HYQAUVOMTOQZCZ-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)[C@@H]1CCC2(CCCC2)C1	2037680140	WUOPQRLMKYZHCG-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](Oc2ccc(C(C)(C)C)cc2)C1	2037681781	IFPFNSLZYYKXJF-OAHLLOKOSA-N	246.394	4.942	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CC2CC3(CCC3)C2)C1	2037980090	UGCYQRJJIPGXMF-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCCCCC1CC1	2039443310	ZJHAQZLTAUKINO-USXIJHARSA-N	249.442	4.667	0	10	BJAE	
CC1CCC([C@@H](C)NC2CCC3(CC2)CC3)CC1	2040636315	QBWXMDTXYABPAS-SHARSMKWSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)c1ccc(C)c(C)c1	2040726213	QJOAGXCBXFOJCR-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NCC1CCC=CCC1	2041841513	JQUYXAOZHQOUDQ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H]1C)[C@H]1CC=CCC1	2042022098	OATRKBHVEXCKRK-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
C[C@@](N)(C1=CCCCCCC1)C1CC2(CCC2)C1	2043482028	HFVCSVIWRUANSN-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
C[C@]1([C@@H](N)C[C@H]2CCC=CCCC2)CC=CCC1	2045322423	FBYBXUPVTCDIDB-ULQDDVLXSA-N	247.426	4.587	0	10	BJAE	
CN[C@H](CC1CC2(CC2)C1)C1(C)CCCCCC1	2045732782	LOEFCNBUHFARNQ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@H]1CCCC[C@@H]1CC	2045795645	ZZXOMXTWOBVYND-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1N[C@@H]1CCCCC12CCCCC2	2047591595	ZTYAGOCQCCNKJK-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C1CC1)[C@H]1CCCCC12CCCC2	2048117147	DIBJIFKHEOPUMB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](C1CCCCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2049224641	HLOXOSXPMUMOTD-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@H](C)NCC=CC2CC2)CC1	2049423957	ZHOFGUVXKMMXDF-UQPPLGOBSA-N	249.442	4.537	0	10	BJAE	
C[C@H](NC1CCCCCCCC1)c1ccccc1	2049671455	DRWSTTKWAGXHII-HNNXBMFYSA-N	245.410	4.840	0	10	BJAE	
C1CCCCC(N[C@H]2CC23CCCCC3)CCC1	2049672165	JYIQJUBQVXMEBZ-INIZCTEOSA-N	249.442	4.802	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CC2CCC3(CC2)CC3)CC1	2049851577	AGASKBOFCXZCSO-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](N)CC2CCC3(CC2)CC3)C1	2049851879	CLXAHZULCDWJNY-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@H]1CCC2(CC2)C1	2049867835	XTNVNJUVZZSZDP-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](N)CCCC[C@@H]2CC2(C)C)cc1	2050428662	FYWPRMCRWGDIQC-CVEARBPZSA-N	245.410	4.601	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@]1(N)CCCCC12CCCCC2	2055298603	GCTDXCABHPEBCL-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](N[C@H]1C=C(C)CCC1)c1cccc(C)c1	2055552522	PTDHFVXMZRGAHK-IAGOWNOFSA-N	243.394	4.535	0	10	BJAE	
CC(C)C1CCC([C@H](N)C=C2CCCCC2)CC1	2056877027	WHEQHNVNSODRDP-OFLPRAFFSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)CC1CCCC1	2056883975	ULEBSYGBUZIEJM-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1cc(C)ccc1C	2059257368	WXGWXZXIKJZSKP-UABRLCRWSA-N	245.410	4.700	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C1=CC[C@H](C)CC1	2060921761	NKGLBFQQAQDPBA-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H]2CCC[C@H](C)CC2)CC1	2061079777	BXZTZUJVLHYLDL-QSJFSLAZSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](O)CC2=CCCCC2)CC1	2061092828	SPUKVAXBBCAFFK-NVXWUHKLSA-N	248.410	4.620	0	10	BJAE	
CC(C)c1ccccc1NCC1CC(=C2CC2)C1	2061719780	CPHLXKXAGGCJFK-UHFFFAOYSA-N	241.378	4.722	0	10	BJAE	
CCC[C@](C)(CNCC)CC1CC(=C2CCC2)C1	2061738583	DQDGDJSZNJVFKX-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C12CCC(CC1)C2(C)C	2062625457	PKZHALQQQSDHRI-YFTKNLTDSA-N	248.410	4.598	0	10	BJAE	
CC1(NCC2C[C@@H]3CCC[C@H]3C2)CCCCCC1	2063477886	VKWXXIRHAGMJGV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
N[C@@H]1CCCCCC[C@H]1C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063486835	LZDLZWGUTDEZBB-BQJWPVKWSA-N	249.442	4.501	0	10	BJAE	
CC[C@](O)(CCC(C)C)c1ccccc1C1CC1	2065994416	CRLXIOJSRTZRER-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)c1cccc(C(C)(C)C)c1	2068838155	YCYFGJVTXMDTPH-BBRMVZONSA-N	247.426	4.666	0	10	BJAE	
CC[C@H](CNc1ccc2c(c1)CCCC2)C(C)C	2070274890	PVSANXGIGVWJQH-CQSZACIVSA-N	245.410	4.660	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)C[C@H]1C[C@H]1C	2071503751	JMFQZLSJVRDSOM-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1CCC(N)(C[C@@]23CCCC[C@@H]2C3)CC1	2074026440	ULFYGLVGPLVKKD-GMRIPVOYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@@]12CCCC[C@@H]1C2	2074032461	FPSRZUJUGMXKPK-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)N(C)Cc1ccccc1CC	2075208416	VCWPLABYZKKTBR-KRWDZBQOSA-N	247.426	4.650	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)([C@@H]2C=CCCCC2)C1	2075373137	MEMPDZTUZANDPF-CQSZACIVSA-N	249.442	4.667	0	10	BJAE	
CCC1CC(CNc2ccccc2C2CCC2)C1	2077261664	BTYKTDWUCUGRIE-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CC1CCC(Nc2ccccc2C2CCC2)CC1	2077263628	ABGYZCFTYWOBBM-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CCCCCc1ccc(C(=O)C2CCCCC2)o1	2077978500	LGDTWBFLECGSLX-UHFFFAOYSA-N	248.366	4.775	0	10	BJAE	
N[C@H](C[C@@H]1C[C@H]1C1CCCC1)C1CCCCCC1	2079631714	CTPNMDSWLANOKG-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C(C)[C@H]2CC[C@@H](N)C2)CC1	2082163296	YAPNOHKURYEVOU-SJJHQCBESA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)C[C@H]1C[C@H]1C=CCC1	2083034278	ZAVZDUGLSSCESI-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)CNC1C2(CCC2)C12CCC2	2083548906	OPRQYKKDIGFMNM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1cccc(CC)c1	2086054945	WZQWKECWKCJTGP-YOEHRIQHSA-N	247.426	4.855	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1scc(C)c1C	2210568058	RLXSHKUEMPQGPL-CYBMUJFWSA-N	240.412	4.615	0	10	BJAE	
CCCN[C@H](C(C)(C)CC)C(C)(C)CCC	2212117955	CESPNDIJPVRNPK-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)CCCCCCC2CC2)C1	2213573849	MIDWLMVKQPOXOG-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CCCCCCC1CC1	2213577372	ZTSMYKXIZQXIPB-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H]2CC[C@@H]2C)CC1	2215090462	WJWOKJHSBZBWBE-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC[C@H](O)CC1CCCCC1	2215237624	QUTLXSNHSWLTAZ-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)NC[C@]1(C)CC=C(C)CC1	2215823482	JMQJKLYKRHQWBL-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)C[C@@]1(N)CCC[C@@H](C(C)(C)C)C1	2216259127	SIAGSEQYIQPDRH-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@@H](CC/C=C/c2ccccc2)C[C@@H](C)O1	2219074500	SBDBRWPXUBUSEM-NVZUESONSA-N	244.378	4.684	0	10	BJAE	
O=C(CCCCC1CC1)[C@@H]1C[C@@H]1C1CCCCC1	2220006397	PBJDJZAQTMYIMJ-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@@H]1CCCC2(CC2)C1	2220046501	TUXJUDXMANSXGM-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1C(=O)CC1(C)CC(C)(C)C1	2221076446	RIBUCLREJWTOHI-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@H]2C[C@@H]2C2CCCC2)C1	2221090676	OGMGYDJVJJABNN-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1	2222932899	IOIZPKBALFWCMA-YALNPMBYSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CC[C@H](C)C2)C=CCCC1	2223555001	ZAWYUMQMOZXGJB-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H](CC)CCC	2244796570	MSTXXKSTDVARCC-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)C(C)(C)N	2244866896	ITANATWMWQHISV-UONOGXRCSA-N	227.436	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC[C@@H](N)C2CCCC2)C1	2246657278	RBUUEYHNQAELLW-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@H](O)CC[C@@H]1CCC[C@@H](C)C1	2246683886	IQFUVLLGZZSUOU-VNQPRFMTSA-N	240.431	4.780	0	10	BJAE	
CSc1ccc(NCCCC[C@@H]2C[C@@H]2C)cc1	2247116041	NJMVRSVVFUHXIV-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCCC[C@H]1C[C@H]1C	2247174598	WSUFLKROXGJXPR-ILXRZTDVSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)c1csc(C2CC2)c1	2248045124	RZADHPPHZKPPPT-HNNXBMFYSA-N	249.423	4.632	0	10	BJAE	
CCCCC[C@](C)(O)CC1CC2(CC(C)C2)C1	2250445131	OMLWVEVVKHHLCV-UFFJXHMVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)C1CCCC1	2250517898	GAHLXYUORYFLAW-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@]12CCCC[C@@H]1CC2	2251149586	MHNPZKYDBGNGGH-CJNGLKHVSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2251171844	QBZJYAVXRDFBDY-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@H](CC)C(F)F)cc1	2253074052	QUIFOPCPKSZDKJ-GXFFZTMASA-N	242.309	4.623	0	10	BJAE	
Cc1coc(C(=O)CC[C@@H]2CCCCC23CC3)c1	2253839924	PYETZXIUNHRIDX-ZDUSSCGKSA-N	246.350	4.521	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C1CC(=C2CCC2)C1	2254569711	RYRJQJXJGDWZRL-TZMCWYRMSA-N	246.394	4.662	0	10	BJAE	
CCc1occ(C)c1C(=O)CCCC[C@H]1C[C@@H]1C	2254582523	RVXALMSRISUGML-AAEUAGOBSA-N	248.366	4.550	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@H]1CCC12CCC2	2255025906	PCRSYYCUTZQEAP-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
O[C@@]1(CC2=CCCCC2)CCC2(CCCCC2)C1	2255064032	PHLQAUCKSNOZQJ-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
O[C@H](CC1=CCCCC1)[C@@]12CCCC[C@@H]1CCC2	2255099437	JTSLKFGTMVOQGT-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc([C@@H](O)C[C@H](C)CC(C)C)cc1	2256316497	CMVTXPWQGWUCOM-PBHICJAKSA-N	248.410	4.745	0	10	BJAE	
Cc1cc(C)cc(OCCCCC[C@@H]2C[C@H]2C)c1	2257250020	WMPSDWOMHNOADN-HZPDHXFCSA-N	246.394	4.899	0	10	BJAE	
CN(C[C@@]12CCCC[C@@H]1CC2)C1CCCCCC1	2260613142	HJNRPJHZRJECMZ-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
N[C@]1(C[C@]23CCCC[C@H]2CC3)CCC=CCCC1	2260645218	HCLZAOXXBQGPTP-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@]12CCC[C@@H]1CC2	2260653101	WVSOMRPPBKTJSQ-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CCC(=O)C[C@@H]2CC23CCCCC3)C1	2261505125	DZJLRUWNXNISIO-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC[C@@H]1C[C@@H]1CC)NC	2298127095	OVHNMPFHSISWCS-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCC[C@@H]1C[C@H]1C)NCC	2298645910	CLWZLJVPZAMXLE-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(-c2cccc(O)c2Cl)ccc1C	2299626418	GPXDNQJZVMOJLS-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
CCNC[C@](CC)(CCC(CC)CC)C(C)C	2300694876	LFQVBIOCEXHGGZ-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CC(=CC[C@@H](O)[C@@H](C)C(C)C)CCCC(C)C	2300870439	URFKTEIDSUUEJP-JKSUJKDBSA-N	240.431	4.802	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@H](CC)CC(C)C	2300872628	RJHPTQWJTHRQKX-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@H](CC)CC=C(C)CCCC(C)C	2300910844	DEYUPYSTNDFYSF-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@@H](C)[C@H](C)C(C)C	2301912886	MUARPGLVZKNAEF-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@@H]1C=CCCCC1	2302613058	MDAQPBWQIBPORZ-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](O)CC1(C)CCCCC1	2302618761	AXPCCADXNOIYMK-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CNCC)C[C@@H]1CCC(C)(C)C1	2302871152	HJGPMXGTSQRXKP-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C(=O)C[C@H]1CCC(C)(C)C1)C(C)C	2302880245	KJYYTRRCVZKFQC-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@@H]1CC[C@H]1C(C)(C)C	2303511684	GWWIEBDULMPCDC-WOSRLPQWSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](N(C)CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304394452	QUBDWJCVXKRWFH-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309187216	FXHGRCLMFSLMIE-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1CC[C@@H]2C[C@@H]2C1	2312333052	WGXUQSJCAZCLNG-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)CCC[C@H]2CCCC[C@H]21	2313661424	WFYRQPOMVNSDBG-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@H](O)c1ccc(C2CC2)cc1	2316234577	AYKSEVOHVNSAEM-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@@]12CCC[C@H]1C2	2316512038	YYCPAVBMZFSJIW-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@](C)(O)CC2CCCCCC2)cc1	2316965839	RKQZZGCVVJGSAY-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CC[C@H](Nc1cc(F)ccc1C(C)C)C1CCC1	2317933151	CJDNHTUTVBFHAD-HNNXBMFYSA-N	249.373	4.940	0	10	BJAE	
C[C@@H]1[C@@H](NC2CCC3(CCCC3)CC2)CC1(C)C	2318250989	IOBDJQJZKJFVCR-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CC1CC2(CCCC2)C1	2318928333	BQKIGNDUXLRVFE-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CCCC[C@H]2C[C@H]21	2319347756	JBKFOLZGDRECSC-USXIJHARSA-N	241.378	4.555	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CC[C@H]2C(C)(C)C)c(C)c1	2320150981	BDLDLYKVALWOFN-LSDHHAIUSA-N	244.378	4.558	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1[C@H](N)CCC1=CCCCC1	2320212499	AEEIKSKUBKJBLZ-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CCCCCC2(C)C)CC1	2320237607	LRLNQABQSIDPRK-CVEARBPZSA-N	249.442	4.824	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@H](C[C@@H]2CCC(C)=C(C)C2)C1	2320333385	GHHUKLNFMJUKNF-YVSFHVDLSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CCCC2(C)C)CC1	2320421616	CFKCIGDEYOFYDU-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CCC[C@H](CC)N(C)Cc1cccc(C(C)C)c1	2320637785	WQOODNRYJWDNNG-KRWDZBQOSA-N	247.426	4.821	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1cccc(C2CCC2)c1	2320655977	XHJMSARIDSLQBP-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CCc1cc(F)cc(N[C@H](CC)[C@H]2CC2(C)C)c1	2321089374	MJRWZOTZNGTCIR-HUUCEWRRSA-N	249.373	4.625	0	10	BJAE	
CCCC1([C@H](N)C23CC(CC(C)C)(C2)C3)CCC1	2321583256	CERHVKKQRBYDPJ-UQPPLGOBSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](Nc1cc(C)ccc1F)c1ccccc1	20471781	AGTLPARCSNTFRJ-OAHLLOKOSA-N	243.325	4.697	0	10	BJAE	
Cc1cccc(NC[C@H](C)c2ccccc2)c1C	21035568	FHYPLXBISCIWFW-AWEZNQCLSA-N	239.362	4.519	0	10	BJAE	
c1ccc(N[C@@H]2CCCCc3ccccc32)cc1	21800652	FWYSNPVDKQBLND-QGZVFWFLSA-N	237.346	4.566	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@@H](C)CC[C@H]2C(C)C)c1	21813040	LSRYAAWAMYNPIV-XIRDDKMYSA-N	245.410	4.868	0	10	BJAE	
CCN[C@@H](c1ccc([C@@H](C)CC)cc1)C1CCC1	35544395	ZZFZOFYPWVJSQM-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H](c1ccc(CC)cc1)[C@@H](C)CCC	35582592	DWFUDXLEWMZGFC-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CCCN[C@H](C)c1ccc(C2CCCCC2)cc1	35582910	GRPGQKSWUKFCSE-CQSZACIVSA-N	245.410	4.795	0	10	BJAE	
COc1c(C)ccc(N[C@@H](C)CCC(C)C)c1C	37125796	SXZRELPIGZJIKL-ZDUSSCGKSA-N	249.398	4.549	0	10	BJAE	
CCCCCC[C@@](C)(CC)CNCC(C)C	71128236	IFSIOCKXERIADP-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCCCCC[C@@H](C)NCC1(C)CCCC1	82619158	VQQSWWNIMLUYAM-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@](C)(O)c1ccc(Cl)cc1	83503046	XNXMBJUPQOXDLN-AWEZNQCLSA-N	240.774	4.518	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCCC[C@@H]1C	83948716	JFMZVALJBHDMKS-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1C[C@@H](C)CC[C@@H]1C	85098729	OHLYJIPSPIDBRZ-XEZPLFJOSA-N	245.410	4.794	0	10	BJAE	
Cc1cccc(Cl)c1NC1CCCCCC1	85387819	CFJBYLJUMYDGPE-UHFFFAOYSA-N	237.774	4.783	0	10	BJAE	
CCN[C@H](CCC(C)C)c1cc(C)c(C)cc1C	86495042	ULCHTKVTDOCIKZ-QGZVFWFLSA-N	247.426	4.699	0	10	BJAE	
C[C@H]1CCC[C@H](NC2CCC(C)(C)CC2)CC1	86890221	SNYSKIYWLWHPSO-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NC(C2CC2)C2CC2)CC1	86923167	ZSXLFMMMOPVWHL-XJKSGUPXSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C(=O)C2CCCCCCC2)cs1	87689980	MXIJKXVSZXDCHX-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)c1ccoc1	94867423	BDBIYSPCBPBVRK-GFCCVEGCSA-N	229.323	4.576	0	10	BJAE	
Cc1cc(C)c(NC2[C@@H](C)CCC[C@@H]2C)c(C)c1	103980205	MCWNHLNZGSONOX-STQMWFEESA-N	245.410	4.848	0	10	BJAE	
CCCN[C@H](c1ccc(CC)cc1)C(C)(C)CC	110215242	PQMPTUNOOCZBSR-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCCC)c1ccco1	110226579	DXHZKVTZUWSUGK-UKRRQHHQSA-N	237.387	4.537	0	10	BJAE	
CCN[C@@H](CCCC(C)C)c1ccc(C)s1	133540941	RAJDFXHALMJHAN-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)C1(CC)CCCC1	162156129	BLXNFAJHGKVQJZ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](Nc2ccc(C)nc2)CC1	164814760	GSLJSAUCDWELRU-HUUCEWRRSA-N	246.398	4.551	0	10	BJAE	
CCC[C@@H](C)C(=O)c1ccc(C(C)(C)C)s1	165326860	PNGLLUCNEQKAQF-SNVBAGLBSA-N	238.396	4.665	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1cccc(C)c1C	165758287	DVWXLACWUXHWAY-GOEBONIOSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc(C(=O)CCC(C)(C)C)cc1Cl	168135035	MILJJBVUIFDCLD-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC(C)[Si](C(C)C)=[Si](C(C)C)C(C)C	196094033	ROMPKQSKZLMYTR-UHFFFAOYSA-N	228.528	4.694	0	10	BJAE	
C1CCCC(NCCCC2CCCC2)CCC1	225040486	YFAZINUAXQBBCL-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCCCC[C@@H](C)NCC[C@H]1CCC[C@@H](C)C1	226861535	NMNWTGLIKOPYMR-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)(C)C)C1CCCCCC1	229150780	JTTFMOYYDLEHSO-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)c1ccccc1C	229429377	OPGXIEKQWMWMCP-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
CCC(C)(CC)Nc1cc(C)nc2ccccc12	230961933	XNQNFXNFGCRWIU-UHFFFAOYSA-N	242.366	4.534	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C2CCCCCC2)C1	231014127	KHSVLWUELQINTC-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC1([C@@H](N)C2=CCCCCCC2)CCCCC1	232826251	BUNGXVCGQSMKRY-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CC[C@H](C(C)C)[C@H]1CNc2ccc(Cl)cc21	233992551	RRALHXNVVRVKSP-DGCLKSJQSA-N	237.774	4.531	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2cc(C)ccc2C)C1	235400542	BBEHETPSUKWTHB-XJKSGUPXSA-N	243.394	4.708	0	10	BJAE	
CC/C=C/C[C@H](CC)c1sccc1C	238222414	LEYKYHXLOMSLRG-SYTKJHMZSA-N	208.370	4.906	0	10	BJAE	
CC(C)(C)CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1N	250701779	ODUJASRDIYEZAK-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](CCC)CC[C@H]1CNC	250801473	CVOXTUCMSSLALJ-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCC1	251144069	JQYUYRDXPXJUTK-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC[C@H]1NCCC	251404454	VZZTUWMLRQDWIT-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](NCC)[C@H]1CCC[C@H](CC(C)C)C1	300309597	PFRONVIRJBDQSE-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cc(C)c(Cl)s1	300912296	KCSBMJNKMYOFLU-KCJUWKMLSA-N	245.819	4.536	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)c1cccc(CCC)c1	302447799	UVHFEUUWESWTQU-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@@H]1CCCCC1(C)C	304162553	ICCYYIQCLXTTAG-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CCCC(C)(C)C)C1	305904901	DUCSELBUNPDYDN-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
Fc1cc(Cl)c(C(F)F)c2sccc12	306696811	YBSNDAMPVVXIPL-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCN[C@H](CCC[C@H]1CCC[C@@H](C)C1)C(C)C	310471880	BOGAKWPIRRSMCW-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cc2cc(C)ccc2o1	310669847	GTXIZAQFKWFMDU-BLLLJJGKSA-N	246.350	4.601	0	10	BJAE	
CCCCc1ccc([C@H](O)C2(CCC)CC2)cc1	310916749	IVCKGHUITUZYRY-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CC(C)(C)c1ccc(NC(C)(C)C(C)(C)C)nc1	310931563	HQPOEFKMMIRVQR-UHFFFAOYSA-N	248.414	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2CCCC23CCCCC3)C1	313017100	PIDXUMITJABNSL-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
C/C=C\C[C@]1(CNC(C)(C)C)CCC[C@@H](C)C1	317888049	FFLNNIWVNUGWOW-HCDJPTGHSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@]1(CC(CC)CC)CC[C@@H](C)C1	318367353	ZCNFMLGWWYCHHN-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@@]1(CC2(C)CCCC2)CC=CCC1	318920470	NEKIWMCGPOSSQI-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCC[C@@H](Nc1c(C)cccc1CC)C1CCC1	322870156	VZEOHRPAQZYJDL-MRXNPFEDSA-N	245.410	4.938	0	10	BJAE	
C[C@@H](N[C@@H]1C=CCCCCC1)C1CCCCCC1	380674919	NIYRJAGWDIOLST-NVXWUHKLSA-N	249.442	4.824	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CCCCCC(C)C)c1	383540394	OJHFLSFBBQEPAB-QGZVFWFLSA-N	248.410	4.943	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]([C@H](C)CC(C)C)C1	383693090	QWZPHTFDXYHQJW-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@H](NC)c2cc(C)cc(C)c2)CCC1	386160271	FHEBMNSKNFXALU-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC/C=C\CC[C@H](C)c1ccc(C)cc1O	394930255	LPIMSHLHHAJDKG-SZZPACECSA-N	218.340	4.551	0	10	BJAE	
CCc1cc2scc(C(F)F)c2cc1C	396222519	NNDCHQAAHOAZQK-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
C[C@@H]1CCC[C@](CCC2CCC2)(CNC2CC2)C1	398624374	HEWWHCOSBRHVAJ-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@@H]1CCCCC1(F)F	400601129	CPFNAZNYSWIIBM-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)C[C@H]1CC=CCC1	402387853	PHCDFLGBQCZYCE-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CCC(C)(C)C2CC2)C1	405847010	KMKOCLNUPCNELZ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
Fc1cc2c(c3ccccc13)Cc1ccccc1-2	504073281	OTWHLUHZYGIHDV-UHFFFAOYSA-N	234.273	4.550	0	10	BJAE	in-vitro
CC[C@@H]1CC[C@@H]([C@@H](O)c2cccc(C(C)C)c2)C1	688950520	MEMKDWHDUURSHX-XYPHTWIQSA-N	246.394	4.670	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H](C)CC1CCCCC1	689828731	DFXIJWAXBBCDKB-CABCVRRESA-N	239.447	4.760	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCCC[C@H]2C)cc1	691068934	CJKGXKNAMHCROC-CZUORRHYSA-N	231.383	4.630	0	10	BJAE	
C1CCC(CCC2(C3CCCCC3)CNC2)CC1	696815251	FDIVMAVNRYGYDS-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)=CCC[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	697596290	BANDTUAFYVIUOR-IJEWVQPXSA-N	238.415	4.556	0	10	BJAE	
CCCc1ccccc1O[C@H](C)c1ccccc1	699494153	PDZVDCNUEOXZCC-CQSZACIVSA-N	240.346	4.779	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)CC1CCCC1	704939884	WDDWAGGUWCOARW-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)CC[C@@](C)(N)Cc1ccc(C(C)C)cc1	704950705	FFAXEQYLDRYDIM-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CC[C@@H]2CCC[C@H]21	707854899	AUHAVXNYARMLJB-OUCADQQQSA-N	249.785	4.639	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CC[C@H]2CCC[C@H]21	707860689	PQFQREWTHUFWGH-UXIGCNINSA-N	249.785	4.639	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)CCCC(C)(C)C	708281083	JFBGURUSNJBKAM-OLZOCXBDSA-N	227.436	4.602	0	10	BJAE	
C[C@H](NCCCC1CCCC1)[C@]12CCCC[C@H]1C2	709151662	NDEXUPHSISESNT-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@H](C)CC(C)(C)C)C1	709258412	JHIAZUORIINMNW-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@H](O)C1CCC(C)(C)CC1)C(C)(C)C	710743130	VHPAICBRDXUEQJ-JSGCOSHPSA-N	240.431	4.636	0	10	BJAE	
CC(C)NC[C@H](C[C@H](C)C(C)(C)C)C(C)(C)C	711174560	PELZPFNOSKDVIL-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)CC1(C)CCCC1	713046311	ZBFWZQGAOGCGLQ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@H](CC(C)(C)C)C1CCCCC1	713173517	IDRHVUYXYIYTGU-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC(=O)C1CC(C2CC2)C1)C1CCCCC1	714393795	MHONUMYWFKIJCT-JQRITLKVSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCC(C)(F)F)CCC(C)(C)C	718575685	OIJUWBSBNYZHNA-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCC1CCC(N)(CCC(C)=C(C)C)CC1	718598501	ALJQQSXLDRQLLQ-UHFFFAOYSA-N	237.431	4.811	0	10	BJAE	
CC(C)=C(C)CC[C@H]1C[C@H]1c1ccccc1	718778160	RNGYJDBZXHBGSE-HOTGVXAUSA-N	214.352	4.927	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)C1(C)CCC1	720742498	KNZZXWDWCCGDMR-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	722862846	ZJZXHQHWIVRGML-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC2CC(C)(C)C2)CC1	723543846	AYIPRYZGCGHVGF-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CSC1CCCCC1)CC(F)F	1458832717	HROMDYBUJUSHJK-JTQLQIEISA-N	236.371	4.734	0	10	BJAE	
Cc1ccc(S[C@H]2CCC[C@H](C)C2)cc1	1472938380	GIGDLBSHDJMMFY-JSGCOSHPSA-N	220.381	4.666	0	10	BJAE	
C[C@H](SCCC1CCC1)c1ccccc1F	1472982954	DUKYNAWGBYRAFY-NSHDSACASA-N	238.371	4.810	0	10	BJAE	
Fc1ccc(CSC2CCCC2)cc1Cl	1640653700	DRGWTOVPXMBAEF-UHFFFAOYSA-N	244.762	4.655	0	10	BJAE	
CCC(CC)N(CCCC(C)C)CC(C)C	1657476015	QDFUKCRNHCANGH-UHFFFAOYSA-N	227.436	4.569	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1NCC1CCC=CCC1	1665723745	MYVCVCQNFMZLRI-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
Cc1sc(Cl)cc1CCCC(C)C	1889470707	YBURXNYONSZOKR-UHFFFAOYSA-N	216.777	4.689	0	10	BJAE	
CCc1cscc1[C@@H](N)CCC(CC)CC	1900695057	DTAQOEIELIXYMH-AWEZNQCLSA-N	239.428	4.527	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@H](C)[C@@H](C)C(C)C	1901681895	IYZREVOQIBTGII-NWDGAFQWSA-N	240.774	4.708	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H](C)[C@H](C)C(C)C	1901709384	NQCJEJTURGQLMM-PWSUYJOCSA-N	239.790	4.741	0	10	BJAE	
CCc1cscc1N[C@@H]1CCCC[C@H]1CC	1902377503	VDZQAJPBBZQMIJ-DGCLKSJQSA-N	237.412	4.691	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CC1CCCCC1	1905291494	DVIKGQODAMKVCL-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1sc(C)cc1C	1905447015	QXOJXXDEJUUHAX-GFCCVEGCSA-N	238.396	4.764	0	10	BJAE	
CC=CCCC[C@H](CC[C@@H]1C[C@H]1C)NCCC	1910147241	KHTJNQMDKSWMRN-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC(=O)C[C@@H]1C[C@H]1C1CCCCCC1	1910809182	IEVDOHJWRBXFHQ-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C(C)(CC)CC	1912020682	KLMNGEFVOSTEHU-HNNXBMFYSA-N	237.431	4.703	0	10	BJAE	
C=CC=CCCC(=O)c1ccccc1C(C)(C)C	1912125709	LKZDCAGFVBYUNR-UHFFFAOYSA-N	242.362	4.689	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2CCC3(CCCCC3)C2)C1	1915872869	UQQZBHIEVWUTOS-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCC[C@@]1(CNC(C)C)C=CCCC1	1916581245	VSLXYRPMFQSLTR-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)c1ccccc1C1CC1	1919982000	UUOUPXRUDUQTOV-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)[C@@]12CCCC[C@H]1CCC2	1921418991	JQYASCKQIZKYFU-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H]2CCCC23CCC3)C1	1921610985	QPFZRXOGGGBRII-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](O)CC1(C)CCCCC1	1923888363	RFQASTYHMQURHN-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)CCCC1CCC1	1924102159	XTAWDYSKBIJSRU-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H](C)C1CCCC1	1924139756	SIRMIPJEXRNGGD-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCCC1)C1(C)CCCCC1	1925889564	BKNMSBKUTGKSEQ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC(CC)CC)CC1CC=CC1	1926158972	DJDMXKGFPWVUHZ-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCNc1cc(C)ccc1C	1926201112	NEPVRJYPZCWCGO-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CCCC(CCC)[C@H](NC)c1cc(C)cs1	1939447611	WGMPQVSGZRNKFL-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CC1(C[C@@H](CO)C2CCCCC2)CCCCC1	1940406914	ODUDSGRWMAWCJD-HNNXBMFYSA-N	238.415	4.536	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)CC1(C)CC1	1940414389	IULFXEZQQUFZSN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](O)(CCCCCC1CC1)[C@H]1CC1(C)C	1941578485	AYIMOECOEMJEKX-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCCCCC2CC2)C1	1941584720	BJJJJPSYPGVRHL-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@@H]1C)C[C@H](C)CC	1944847426	ALDJUMRCBORHSZ-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCCCC(=O)CC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C	1948427265	GMUZFYNBXKFBFJ-YDHLFZDLSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@H]1CCCC[C@H]1CC	1948860560	CENAQMTXOTWECL-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC=C[C@@H](C)Cc1c(C)cc(OCCC)cc1C	1951308287	CYMFPQJVAUBZBD-CYBMUJFWSA-N	246.394	4.847	0	10	BJAE	
CCC[C@@H](C)CN(C)C[C@@H]1CCCC(C)(C)C1	1964614690	LZNSAXLSUIQGSZ-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CCCc1ccc(COc2ccccc2C)cc1	1968271324	SUJYFRYCGNDIQJ-UHFFFAOYSA-N	240.346	4.527	0	10	BJAE	
CCc1cccc(NC(CC2CC2)CC2CC2)c1	1968340169	UFWIQSRROMZMMY-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CCC(C)(C)CCNc1ccc(C)c(OC)c1C	1968786760	HPWJURZNHZDFLH-UHFFFAOYSA-N	249.398	4.550	0	10	BJAE	
C[C@H]1CC[C@@H](CN2CCCCC23CCCCC3)C1	1972911302	DRKASGVWSLZVGY-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2cccs2)CC1	1976342743	PXWPGPOZGXDIAS-NWDGAFQWSA-N	236.380	4.537	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1CCC(C)(C)C1	1978457743	AHWTXHRJJSDTSO-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CCC)NC1CC(C)(CC)C1	1984404005	VSRNIPFJHOJWDE-NFOMZHRRSA-N	225.420	4.514	0	10	BJAE	
CCCC1CC(Nc2ccc(Cl)cc2C)C1	1984692031	IWQUTEGNKUTPQM-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(-c2nc(C3CCCC3)cs2)s1	1995496016	FVWVCDARSUJPQT-UHFFFAOYSA-N	249.404	4.838	0	10	BJAE	
CCC/C=C/CNc1ccc2ccccc2c1	1995866565	DCDHUSIZDPYOBV-QPJJXVBHSA-N	225.335	4.608	0	10	BJAE	
CC[C@H](CN[C@H](C)C1(C)CCCCC1)C(C)C	1995985728	LKMPIICMUXRBSU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](N[C@H](C)C1CCCC1)C1(C)CCCCC1	1995991854	SJTYHEQGGNXQRK-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@@H]1CCC[C@@H](CC)CC1	1997107859	FEBRXIHHUGGGEJ-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CCC=CCCC1)C(C)(C)C	1999985157	GOSKSOLRVGLHPZ-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
Cc1cc([C@H](N)C[C@H]2CCC=CCCC2)cs1	1999990602	LFSGZSQZHLWAMZ-DZGCQCFKSA-N	249.423	4.583	0	10	BJAE	
CC[C@@]1([C@H]2CCCC(C)(C)C2)CCCCCN1	2000050004	CMYBPHSULJFMMM-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](C)(CNCC(C)C)CC(C)(C)C	2000519290	WIUMCRIDIAEESK-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCC[C@](C)(CCCCCF)CNC(C)(C)C	2000522975	KSWLBWLAIMMREJ-OAHLLOKOSA-N	245.426	4.711	0	10	BJAE	
CCC(CC)C1(CNC2CCC2)CCCCC1	2000662681	VFHIODGMSREHAF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCCN(C[C@@H](C)CC(C)C)CC1	2000905393	BIXCFPVXLSDNPX-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C[C@H]1CCCC2(CC2)C1	2003215587	VUVPDCYLZPQISM-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)C1(C)CCC(C)CC1	2007691035	LUTFGRYZEQYAPE-PWUWZPNHSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1CCC[C@@H](CC)CC1	2007861573	OYCLNRZPVYHKQY-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](CCC)CC[C@H]1NC	2009619002	HPQSOZGBDCGOTL-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC[C@]1(CCC[C@H]2C[C@H]2C)CCCCCN1	2011577533	VAVSBZWDUCLUFJ-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@H]1CCCC1(C)C	2013267107	NUAWWRSDGFOQSJ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC)CCCC(C(C)C)C(C)C	2015409920	SIXVRGBTURBMAR-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCCC[C@H]2C)CCC1	2015585041	WRMZMZUNTZTALD-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](O)[C@H](CC)CC(C)C)CCC1	2015634207	QNUOLBBDUMBLLN-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H]2[C@@H](C)[C@H]2C)cc1	2016288224	ZMQQAFVYMNWETQ-JFILPPLUSA-N	231.383	4.514	0	10	BJAE	
C[C@@H](Nc1ccc2sccc2c1)C1CC=CC1	2016325835	ABDNLQPGTRKIAQ-LLVKDONJSA-N	243.375	4.668	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)C[C@H]1CC[C@H](C)CC1	2017722383	PRZSDLBBESKPHY-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CC)CCCC1CCC(CC)CC1	2017735609	GOUUSRPUCISVEW-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C)(c2nc(C3(C)CC3)cs2)CC1	2018309600	IOBRIAVEOFNYQO-UHFFFAOYSA-N	249.423	4.662	0	10	BJAE	
CCCC1(C[C@@](O)(CCC)C2CCCC2)CC1	2018964613	JEJCGNKTRBQVMW-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC1(C[C@@H](C[C@@H](C)CC(C)(C)C)NC)CC1	2018990615	NPKKTDDCCKDLIN-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@H](CCC2CCCC2)NC)CC1	2019007217	YSKAEHSFMCSSKX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2022989461	BEMXQBLVXKUIQH-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1CCCC[C@@H]1C	2026074081	KLJBIFBVRHVZGC-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@]12CCC[C@@H]1C2	2026166895	NDLQKPAUZSZHEM-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)O[C@@](C)(O)CCCCC	2026323578	IVWITBAWLDSPLR-LSDHHAIUSA-N	244.419	4.651	0	10	BJAE	
c1sc(C2C[C@H]3CC[C@H](C2)C3)nc1C1CCC1	2026543980	HDRGGEGNQAXBRH-QWRGUYRKSA-N	247.407	4.704	0	10	BJAE	
CC1(CC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CCCCC1	2027294611	BJODREJFNYTYDU-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(NCCC[C@@H]2CC2(C)C)cc1C	2027822983	UIGZNNQDRJYRQM-OAHLLOKOSA-N	245.410	4.796	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H]1CCc2ccccc2N1	2027836907	NFKVAWPWBFUELX-CABCVRRESA-N	243.394	4.630	0	10	BJAE	
Cc1cccc([C@@H](O)CCC[C@H]2CC2(C)C)c1C	2027843698	SFDGMTIMXJBLDJ-HOCLYGCPSA-N	246.394	4.553	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@@H]3CC[C@@H]32)cc1	2027989864	CFHKPQIQYOZMMW-BHYGNILZSA-N	243.394	4.630	0	10	BJAE	
C[C@H](CCCCCC1CC1)C(=O)c1ccccc1	2028627770	GSVYDMZKAWQGCB-CQSZACIVSA-N	244.378	4.866	0	10	BJAE	
CC(C)Cc1cccc(C(=O)C2(C)CC(C)C2)c1	2029105732	PTEHUMJFDAROLF-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC(C)=C(C)CCNc1ccc(C2(C)CC2)cc1	2032242512	ILSVRTIGNXDIDQ-UHFFFAOYSA-N	243.394	4.896	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@@H](CC2CC3(CC3)C2)C1	2036730482	QURKOLCLFJJOLA-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)CC1CC2(CC2)C1	2036757015	VNVZCVIZKPAXFI-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)CCC1CCCC1	2037105925	VLUQYLSAGHKDEK-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CNC2(CCCCC2)C1	2037721001	MMIIUBSSNLTWNT-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CC1)[C@H]1CCC2(CCCC2)C1	2037758336	OKFSWCIVHVVPTD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CC(C)(C)C1)C[C@@H]1CC=CCC1	2037976063	FZUJNTPSGLCSGT-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCCc1ccccc1)CC1CCCC1	2038107759	LPWHDJLSEGOCEQ-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)c1ccccc1	2038138560	LLONDNDNCPDCIH-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CCC1(C)CC(NC2CC3(CCC(C)CC3)C2)C1	2038934036	QSICWQIVKVMVBU-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@]2(N)CCC3(CCCCC3)C2)C1	2040168150	DXISAFOZZLNEQF-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@@]1(C)CC=CCC1	2042015460	AGWPSAAEHPJHIY-SJORKVTESA-N	243.394	4.556	0	10	BJAE	
CCCN[C@H]([C@@H]1CC=CCC1)[C@@H]1CCC[C@H](C)C1	2042019521	OTIGRCYOMQIRPM-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](N[C@@H](C)CC1=CCCCC1)C1CCCC1	2043187904	PFAHHZWBTNDARG-WMLDXEAASA-N	249.442	4.824	0	10	BJAE	
CCN[C@H]([C@@H]1C=CCCC1)[C@H]1CCC[C@@H](CC)C1	2043189103	YJZJRCVPDKLCRP-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(F)c(OC[C@@H]2CCC=CCCC2)c1	2045313976	FIDIQMSRANBGNT-CQSZACIVSA-N	248.341	4.649	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)C[C@@H]1CCC=CCCC1	2045314795	NNAGDKCFIKUTKB-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)[C@@H]2CCCC(C)(C)C2)C1	2045532520	QDZKBOHPEWPJJD-DRPJVOAASA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@@H]1C(C)=CCC[C@@H]1C	2045808617	XSHOTNZROOEXJZ-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)C[C@@H]1CC12CC2	2045982526	TZINTRSOGBURRU-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@H](CN2CCCC23CCCCCC3)CCC1	2046564823	XXCWZXHWPDGDFB-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CN[C@@H](C[C@@H]1CC12CCCCC2)C1(C)CCCC1	2047009999	GHPOZLCDJIKFAA-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C[C@@H]2[C@H]3CCC[C@H]32)CC1	2048471293	GSVUQIPKAKFFOQ-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CCCC3(CC3)C2)CCCCC1	2049849646	RVFJEECNINHZPJ-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)CC1CCC2(CC1)CC2	2049855472	JIFWGQYFYFXPES-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCCC2(CC2)C1)C1(C)CCC1	2049855745	MXRKXBOWEDGHJY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC(=O)CC12CC3CC(CC(C3)C1)C2	2051382437	YIBSTJGZQJAUNM-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCCC[C@@]1(CNC1CC1)C1CCCC1	2053388206	RZIHTDIQBJOSRH-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C=CCC[C@@H]2C)CC1	2055589550	WHOVJZIGZDAPLD-GOEBONIOSA-N	249.442	4.680	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccc(CF)cc2)cc1	2055674088	NQLQXGOGKPNFRL-ZDUSSCGKSA-N	243.325	4.638	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)C[C@@H]2CC=CCC2)CC1	2056556386	HSWYWPVSOYZDLC-CABCVRRESA-N	249.442	4.667	0	10	BJAE	
N[C@H](C1=CCCCCCC1)C1(C2CC2)CCCC1	2057605934	IJEDECOBOBOSNY-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2059002809	IITBKQNWZARMRY-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
CC1(CCC(=O)c2cccc(C(C)(C)C)c2)CC1	2059245244	MWBYUDRXJWPENK-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CSc1c(C(F)F)ccc(Cl)c1Cl	2060062277	XKAXPQLTJYTYKL-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
CCN[C@@H](C[C@H](C)C1CC1)C1=CCC(C)(C)CC1	2061093203	WCHKBGFFSRBJRQ-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)C2(C(C)C)CCC2)CC1	2061145955	CQACITOWYWRCDS-GDBMZVCRSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@@]1(CNC(C)(C)C)CCC[C@H](C)C1	2061565128	BQBXIFRLEOMLIP-DOTOQJQBSA-N	249.442	4.692	0	10	BJAE	
CCCN[C@H](CC1CC(=C2CC2)C1)[C@@H](C)CCC	2061726718	SYDZJYBJLGILGH-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)C1CC2(CC2)C1	2064498357	RNODTIIVLJCVCJ-ZDUSSCGKSA-N	243.394	4.801	0	10	BJAE	
N[C@H]1CCCCCCC[C@@H]1CC12CCC(CC1)C2	2065337356	MDRFFZZPJHWHNG-GMRIPVOYSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2cccc(C(C)(C)C)c2)N1	2066382135	YZYFNBMIYYNHLQ-HOTGVXAUSA-N	245.410	4.577	0	10	BJAE	
CCCN[C@@H]1C[C@H](C2(C)CCCC2)C12CCCC2	2067499375	WWUYBVRCFZMIAN-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2CC3CCC2CC3)CCCC1	2067523019	YENBMORUKIQXHV-NDTCATRNSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@]2(C)C=CCC2)CC1	2072795019	ZUPSJMJLRJUUML-SJJHQCBESA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@](C)(NCC2CCC3(CC2)CC3)C1	2073064584	UWSUSLHYUUIKPU-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@]12CCCC[C@H]1C2)C1(C)CCCCC1	2074021895	SVCCUCXPMHOKCE-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
NC1(C[C@]23CCCC[C@H]2C3)CCCCCCCC1	2074032897	HZVZBJYPTRGLAC-JKSUJKDBSA-N	249.442	4.789	0	10	BJAE	
CCc1ccc(N(C)[C@H]2CCC[C@@H](CC)C2)cc1	2074892620	OOPNEPCNCLCCGV-WBVHZDCISA-N	245.410	4.654	0	10	BJAE	
C[C@](O)(CCC1=CCCCC1)C1CC2(CCC2)C1	2075722332	VSCRFJICSRDULU-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CN([C@H]1CCC12CCCCC2)[C@@H]1CCCC1(C)C	2077362579	OHJOMAMZBJVROK-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@@H]2C2CC2)CCCCCCC1	2079310517	FQNZEKLYZLWBJR-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@@H]2C2CCC2)CCCCC1	2079441077	VWPXUEWRKJHQPT-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)[C@@H]1C[C@@H]1C1CCCCC1	2079492847	TWBHOVMHKXYLAI-FVQBIDKESA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CC[C@](N)(C[C@@H]2C[C@@H]2C2CCCCC2)C1	2079668754	CFRUNFHSFLDLJD-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@H]1C[C@@H]1C1CCCC1	2079842178	MYNKRPUYLOIZLI-OFQRWUPVSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)[C@]12CCCC[C@@H]1CCC2	2079851793	NDWHUUBGXAEPNU-AIANPOQGSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CN(C)[C@@H]1CCC[C@H]2CCCC[C@H]21	2081137582	QFKUGXRIMBEOMG-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CC(F)(F)CCC(=O)CCCCCCC1CC1	2213579807	HWNRITPLCFLDCL-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCN[C@H](CCCCC1CC1)C(C)(CC)CC	2214576295	BDYZCJQUVSDVOJ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@@H](C)C(C)C	2215000953	NUTMCTZRRDVFDN-LLVKDONJSA-N	249.785	4.895	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC1(CN)CCCCCCC1	2215254230	SFOXVAZTIYGLIG-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CC(C)CCCCC[C@H]1CCN[C@H](C(C)C)C1	2215271070	JDHNAUJYIHJICA-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C)c1CC1CC(=C2CCC2)C1	2216046328	APPCLQHMLQVHKJ-UHFFFAOYSA-N	226.363	4.736	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CCCCC(F)F)CC1	2216516810	WJSFERLTPUNRTI-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
Cc1cccc(NC[C@H]2C[C@H]3CCC[C@H](C3)C2)c1	2218362149	UIRWUMZLBZAAMD-MUJYYYPQSA-N	243.394	4.623	0	10	BJAE	
O=C(CCCC1CC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218374366	OJWPOSOXXZQCBI-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@H]1CCC[C@H](C)CC1	2221932812	QLSDKJMQIHMXTJ-WFASDCNBSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc([C@H](C)[C@H](O)CC(C)(C)C(C)C)cc1	2223954037	INWHSZYXEQDSNK-GOEBONIOSA-N	248.410	4.532	0	10	BJAE	
Cc1ccc([C@H](C)[C@H](O)CCCC(C)(C)C)cc1	2223969341	WBGFJMQTRKXTNF-GOEBONIOSA-N	248.410	4.676	0	10	BJAE	
CCCCCC[C@@](C)(O)c1cccc2ccoc12	2224161586	BWEMTYDHVRQERE-MRXNPFEDSA-N	246.350	4.611	0	10	BJAE	
CCCCCNc1cccc(C(C)(C)C)c1	2244142781	IGKUHZZDCLGNBG-UHFFFAOYSA-N	219.372	4.586	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)C[C@@H](C)O	2244846484	DCWRGFKQJWTKMO-RRFJBIMHSA-N	228.420	4.636	0	10	BJAE	
CCC[C@@H](CO)CC[C@H](C)CCCC(C)C	2244846530	DMVCMGITNLAWLT-HUUCEWRRSA-N	228.420	4.638	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)C1CCCCC1	2247112779	MGEQNOBYNRXBRF-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(NC[C@H]2CCC23CCC3)c(Cl)c1	2247394341	NKVHVACZNCOMDV-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CCc1cc(Cl)ccc1-c1ccc(NC)cc1	2248350205	YZCIQXGQJYQGHG-UHFFFAOYSA-N	245.753	4.611	0	10	BJAE	
CCCC(C)(C)[C@H](O)CCCCC[C@@H]1C[C@H]1C	2248814115	LCJILALMVILUQD-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCCC1(CO)CCCC1	2248819078	HOKBXTOIUQKWOL-HUUCEWRRSA-N	238.415	4.536	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCCC1(O)CCCCC1	2248819450	KEXHLYQVBKTGGW-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
C[C@H](N(C)CCCCC[C@H]1C[C@H]1C)C(C)(C)C	2248839930	DQKRJJFUDYHGNL-ILXRZTDVSA-N	239.447	4.569	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@@H]1C[C@H](C)CCC1=O	2248878615	JTSWLXNQALZAEF-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@@H](O)CC1CC(CC(C)(C)C)C1	2251535313	MLGCEIRXWHBRKJ-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CC[C@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251702679	SRRWOOGXQWWAKO-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1	2253939317	RSIWQFHZFMJBOF-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)CC1CC2(CCC2)C1	2254567623	AGMIYMHVMWQCGY-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCCC[C@@H]2C[C@@H]2C)CC1	2254576589	HJGKLPRMHYALBD-UXLLHSPISA-N	248.410	4.908	0	10	BJAE	
Cc1cccc(C(=O)CCCC[C@H]2C[C@@H]2C)c1C	2254586848	DFOVPUHMWFESKW-ZFWWWQNUSA-N	244.378	4.703	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)c1ccc(C2CC2)cc1	2255026566	QXEZYIITGIELNS-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NC)[C@H](CC2=CCCCC2)C1	2255092224	SCRLNLVEAWGGOK-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1C[C@H]1CCC	2255105502	TUQZWTJFBZLDKV-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCC[C@H]1CCCC12CC2	2255231945	DNSQBZYSISPMNB-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1c(F)cccc1CC	2256140208	SOJWNNBZIGUYKZ-HIFRSBDPSA-N	249.373	4.769	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1CC12CCCC2	2257311024	KLLJHXOLFQAJSQ-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@@H]1CCCCC12CC2	2257340432	OCJANMAMGUGLMJ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNC1(C2CCC2)CCC1	2257342999	VAAGFEMFWVPEQX-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@@H](C)[C@H]2CC23CCC3)cc(C)c1C	2258232382	BPIJOSUPLFRFHQ-GOEBONIOSA-N	243.394	4.602	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)c1c(C)cccc1C	2259451939	FQSBCEHMAFPQBB-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
O[C@H](CCC1=CCCCC1)[C@@]12CCCC[C@@H]1CC2	2260521100	OWFKPSMZYHHNLM-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@]12CCC[C@H]1CC2	2260596067	MYVGVBKTQWKYGJ-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
N[C@H](C[C@@]12CCCC[C@H]1CC2)C1CCCCCC1	2260623867	QYKGHMQGKWXEDT-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](C[C@H]2C=CCCC2)C1=O	2261444688	SGYJGZNYKLYKLX-UONOGXRCSA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)C[C@@](O)(c1ccccc1)C1CCCC1	2263741912	IIXRTVLQIGWMIM-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@](C)(O)CC1CCCCC1	2298857463	HNYFWSRUANTHFT-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@H]1CC[C@@H]1C	2300679842	XONTWEJULAMSRW-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](NC)C1(CC)CCCC1	2300683996	PLIIOZGBLVRISP-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CC=C(C)CC)CC1	2300899691	QMQVKXSLGDIAPK-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCCCCN1CC1CCCCCC1	2301147322	INAAFSBFQVNPBS-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1cccc(C2CC2)c1	2301832715	MRTBEZDHKHEQRL-QWHCGFSZSA-N	231.383	4.657	0	10	BJAE	
CCN[C@H]([C@H](C)[C@@H](C)C(C)C)[C@H](C)C(C)(C)C	2301836769	OVBVYIIBFAZTSQ-LJISPDSOSA-N	241.463	4.575	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(N)CCCCCCC1CC1	2301945728	OJSYGZUTFHYVPV-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)[C@@H](C)C(C)C)c1	2301962435	SYLHQBKQGXFOKA-UONOGXRCSA-N	233.399	4.903	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C[C@H](C)C(C)C	2302577603	QOPDIDFHOQJFNW-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCc1cscc1NCc1cccc(C)c1C	2302884937	KRJPVJZQKAHXEP-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1C(=O)CCCC1CCC1	2303444180	GNQGINLCRQSVSJ-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1cccc(C(C)C)c1	2303662967	NYTKAZQMMFASFW-MRXNPFEDSA-N	231.383	4.556	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)CCC)[C@@H]1C[C@H]1CC	2307909124	JMBOFAXSZNKXGB-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2312440069	GWYDJSVUXANZTF-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)C[C@@]23CCC[C@@H]2CC3)C1	2313349030	QTFXTYPEOIUNPU-KSWRQPAISA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@@H]1CCCC[C@@H]1C(C)(C)C)C1CC1	2315266786	TYNXIFOELSFTDM-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(F)cc1C1CC1	2317069931	YEIDNFRJWRXVMB-INIZCTEOSA-N	249.373	4.673	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2317935333	BQCATMUFXTYOEP-MUJYYYPQSA-N	246.394	4.662	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1C=CCCCC1	2317939190	PCCYFBZLNPDODG-MRXNPFEDSA-N	246.394	4.973	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@@H]1CCC[C@@H]1C	2317964629	WEVRAFBPOOUFBL-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@]12CCCC[C@H]1C2	2318586980	OTDQZIHQHMPADX-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
NC1(CC[C@@H]2C[C@@H]2C2CCCCCC2)CCCC1	2318858823	XBGXPZIJGWKHMY-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCCCC1CC1)CC1CCC2(CC1)CC2	2318876388	JEJUYUZXRAYCAM-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C2(C)CC3(CCC3)C2)C1	2319287656	YUTABEPBOGWFRI-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2320219773	PDYSCASDKWJAJP-XJIUQZFPSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(NC[C@@H]2CC[C@@H]2C(C)(C)C)c1F	2320318721	BLFXGAILYSEZBO-STQMWFEESA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)C2(C)CCCCC2)CC1	2320348481	QSVYPLMGYZQGLA-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@H]2CCC(C)=C(C)C2)CC1	2320411371	DLVHEBVCNGYBKO-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@H](O)CC(C)(C)C(C)C)c1	2320577724	ICKRDEWALLUNQN-MRXNPFEDSA-N	248.410	4.916	0	10	BJAE	
C[C@H]1CCC[C@H](C2(CN)CC3(CCCCC3)C2)C1	2326700558	YPZBXAIYNQIGDM-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1cc(C)ccc1C(C)C	2327674517	ALYXAEYVQKAWOY-PBHICJAKSA-N	247.426	4.815	0	10	BJAE	
CC(=O)c1sc2ccc(C(C)C)cc2c1C	34975131	MGDZXWBMUGMYMB-UHFFFAOYSA-N	232.348	4.536	0	10	BJAE	
CCCN[C@H](c1ccc(CC)cc1)[C@H](C)CCC	35582589	DWFUDXLEWMZGFC-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CCCCC2)c(F)c1	37243976	PVNHGIBEBQSNMK-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
c1cc2c(cc1SC1CCCCC1)CCCC2	37625625	HPYZJYNMDABHMF-UHFFFAOYSA-N	246.419	4.990	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1cccc2ccccc12	70978808	KUDUSXBTYDLKTM-MRXNPFEDSA-N	241.378	4.537	0	10	BJAE	
CC(C)c1cc(Cl)nc2ccc(Cl)cc12	77255213	MQCFCWFBXLGNIA-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
Cc1ccc(C)c(NC2C[C@@H](C)C[C@@H](C)C2)c1	84462661	PVOBFJRGVJEZEK-NNQSOWQGSA-N	231.383	4.540	0	10	BJAE	
C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)CC[C@H]1C	84836874	LRKMPRDHNPLBDM-SUNKGSAMSA-N	237.774	4.577	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCC[C@H](C)CC1	86889475	VTZJFNZZCFUZEQ-WCQYABFASA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC2(C)CCCC2)CC1	86909188	YMGBQBYMSSBOQJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](Nc2ccc(F)cc2)CC1	86922603	BMCFYYUVRPSNIQ-ZFWWWQNUSA-N	249.373	4.843	0	10	BJAE	
CCCC[C@@H](CC)CC1(CN)CCCCCC1	87946075	FHULMRRZBSHKDT-OAHLLOKOSA-N	239.447	4.892	0	10	BJAE	
CCCCC[C@@]1(N)CCCC[C@H]1c1ccccc1	104161235	PPPHRJFABRTEGI-DLBZAZTESA-N	245.410	4.622	0	10	BJAE	
CC[C@@H](N[C@H](C)c1cc(C)c(C)cc1C)C(C)C	109929171	FMIHKQFHFAQVDC-NVXWUHKLSA-N	247.426	4.697	0	10	BJAE	
Clc1cc(Cl)c2cccc(Cl)c2c1	111354924	DZHZYPCCEISGSQ-UHFFFAOYSA-N	231.509	4.800	0	10	BJAE	
Cc1cc(Cl)c(-c2ccc(C)c(N)c2)cc1C	128498154	SYBLZELKCWBOQC-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCN[C@H](CC1CCC1)C1CCCCCCC1	159102161	IFOBASQUYUSLMT-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1CCC[C@@H](C)C1	218016105	QCRCNGAVRLNSCY-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCC(C)(C)C[C@H]1C	224970271	AWYJHZAGBGPWIB-OCCSQVGLSA-N	249.373	4.761	0	10	BJAE	
Cc1ccc2[nH]c([C@H]3CCCCC3(C)C)nc2c1	226620386	MLWFJPSQKUXDRH-GFCCVEGCSA-N	242.366	4.555	0	10	BJAE	
CCc1cccc([C@@H](C[C@@H](C)C(C)(C)C)NC)c1	228858580	SLEDWTHYHSJOKQ-CZUORRHYSA-N	247.426	4.582	0	10	BJAE	
CC[C@@H](C)c1ccc(OCc2cccs2)cc1	232358067	MAOHKESLCIACRD-GFCCVEGCSA-N	246.375	4.841	0	10	BJAE	
CN[C@H](CC1CCCCC1)c1c(C)cccc1C	234474508	ZQINZMUJAXFHRV-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
Cc1cccc(OCc2ccc(C)cc2Cl)c1	235915135	JQSICAWNECEDER-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@@H](CC1CCCCC1)CN2	235983613	LNVSCEZWXONPKD-HNNXBMFYSA-N	243.394	4.783	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1=CCCCCCC1	236314938	YBDUNQMJDBNBOJ-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC(C)(C)C1CCC(c2ccccc2C#N)CC1	258231334	FYEIFENIRABGJR-UHFFFAOYSA-N	241.378	4.878	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCCC(C)(C)C)C1	300810391	FTCLSVUGSJJQDE-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](CNC(C)C)C(C)(C)C	302334274	LGIBESPEOGNJAL-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
COc1ccc(C)cc1N[C@H](C)CCC(C)(C)C	302525996	QCYDIJUFBDVYPY-CYBMUJFWSA-N	249.398	4.630	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)CCC(C)(C)C	304335510	DVJSNLDSBPZTBA-KGLIPLIRSA-N	227.436	4.760	0	10	BJAE	
CC(C)CNC[C@H]([C@H](C)CC(C)C)C(C)(C)C	306105574	SDDGLHNHAGUBJP-HUUCEWRRSA-N	241.463	4.577	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@H](C)CC(C)C)C1	309985533	MOYHGAKOKHEBGW-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)CC1(C)CCCC1	310473939	BHPLVIRSEDEYCO-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)(C)C)CC1(C)CCC1	310507201	KUQOCDNPNXNHEC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCc1cccc([C@H](O)C(C(C)C)C(C)C)c1	310854944	MUXMXWZJPHBKHL-KRWDZBQOSA-N	248.410	4.601	0	10	BJAE	
CCC[C@@H](N[C@H](C1CCC1)C1CC1)C1CCCC1	313468807	MLHKZVJTIDQLAI-IAGOWNOFSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@@]1(CCCC(C)C)CC[C@@H](C)C1	319094167	DBMGUMOFWPRBQR-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCCC1(CO)CCCCC1	383187771	WBNXZOPISAISFZ-UHFFFAOYSA-N	226.404	4.536	0	10	BJAE	
CCCC1(C(=O)c2csc3ccccc23)CC1	383385763	HWFMOVORRXXADB-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccc(C(C)(C)C)cn1	384534497	DHDKRHBIDQBCRP-LBPRGKRZSA-N	248.414	4.616	0	10	BJAE	
CCCN[C@H]1CCC[C@@H](CCC2=CCCCC2)C1	384854154	MJGJDXCCQXLRAR-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)c1cocc1C	385442249	HPXWMXSBBOSAOY-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
Cc1ccc(F)c(NCC2(C)CCCCCC2)c1	394675126	TXUUVCYXROPDIB-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
Cc1cc(C)c(CNc2cscc2C)c(C)c1	395726344	PGFCFEIEDDMVHD-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCc1cccc2c(C(F)F)c(S)sc12	396233719	CGQCPNXVIQAMNT-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@@H](CC)CC(C)C	405741212	PHGXHIZZNTULSK-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
C/C(=C/Br)c1ccc(C(C)C)cc1	606290155	HECAQDZQBLEETG-NTMALXAHSA-N	239.156	4.566	0	10	BJAE	
CC[C@H]1CCC[C@H](CNCCC(C)(C)CC)C1	686306830	GIKZMPWCWIYKII-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC1CCCC1)Nc1ccc2[nH]ccc2c1	689715958	HVDASTYNPOWCTB-LBPRGKRZSA-N	242.366	4.549	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC[C@H](C)C1	691186628	NUKLWXYIRRNPGH-JJXSEGSLSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1CCC12CCCC2	694467343	ADANEZKFZGLNJL-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@@H]1CCCC2(CC2)C1	695942684	RPDVWKBBQGNFMB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCCC[C@H]2C2CC2)c1	696108466	ZFZDUWIFCRLQBC-DLBZAZTESA-N	243.394	4.684	0	10	BJAE	
CC(C)=CCC[C@]1(CNC2CC2)CCCC[C@H]1C	698055324	KIEJSYNNKWSILS-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C(C)(CC)CC	701347313	MHVBFPVYZUWICZ-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H](C)CC(C)(C)C	701389027	UDNWYSWWUFZCJF-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
CCC(CC)C[C@]1(N)CCCC12CCCCC2	704436001	MCSWZQFLWXWZIB-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCc1ccc([C@H](O)[C@@H](C)CC(C)C)cc1CC	704721166	BZPAFPFKYQUFDJ-SUMWQHHRSA-N	248.410	4.527	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC1CCCCC1	704824970	JOZXGIWPBYOQJU-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@@H]1CCCC[C@@H]1C	704843113	CQXRSYIXAKHWTK-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(N)CCCCCC(C)C	704848276	CQRJVBFKUHBSPM-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
CCCC[C@H](CC)CNC[C@H](C)CC(C)(C)C	709139230	CLSRVJBRMJNFSM-CABCVRRESA-N	241.463	4.865	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CC[C@@H](CC)C2)c1	709712603	PRLLUWJPJOPLPM-CJNGLKHVSA-N	245.410	4.802	0	10	BJAE	
Cc1cc(N[C@@H](C)[C@H]2CC3CCC2CC3)cs1	710712361	ZWIJDVXTTRQWDK-LFUGVXIPSA-N	249.423	4.683	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1C[C@H]2CC[C@H](C2)C1	710863003	FFVVEDRVSRPKOS-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C(=O)C[C@H](C)C(C)(C)C)C(C)C	711151828	MZCUOARIRGOKLR-LBPRGKRZSA-N	226.404	4.556	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)c1csc(C)c1	711320356	KHZWBPGRMSFQGM-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@@H]2CCCC[C@@H]21)C1CCCCC1	712449366	FEWAOKHKMOWLFF-LUKYLMHMSA-N	249.442	4.514	0	10	BJAE	
C=C/C=C/CCC1(CNCC)CCCCCCC1	713700475	KNHHAWCBXUEKGB-AATRIKPKSA-N	249.442	4.849	0	10	BJAE	
CCCN[C@@H](CCCCC(C)=C(C)C)C(C)C	718654632	UQLVTZZLSGVHKX-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCNC[C@]1(C2CCCCC2)CCC=CCCC1	719088881	HMLHRNMREHCPSR-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)C1(C)CCC1	720786030	GUJIVTHOZMOYBH-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@H](C)C1CCCCC1	829240313	NLMLQGZSYNREMH-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(SC[C@@H]2CCC[C@@H](C)C2)cc1	1188316770	FNZWVKGSDZVBDJ-ZIAGYGMSSA-N	234.408	4.913	0	10	BJAE	
CC[C@@H]1CCCCCN1C[C@@H](C)CC(C)(C)C	1307483174	OPSQTMDDSITCOL-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CC(=Cc1ccc(C(C)(C)C)cc1)CCCCN	1883732112	AGQUREHNCMJZHP-UHFFFAOYSA-N	245.410	4.516	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@H](C)C(C)(C)C	1900595428	YRDSPZWRZZHBKY-DZGCQCFKSA-N	227.436	4.602	0	10	BJAE	
CCc1ccsc1[C@H](N)CCC(CC)CC	1900695890	GZWRCKVANODVET-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
CCCCC1CC(O)(CCC(CC)CC)C1	1900700504	AXGDVRVUWYYBKV-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](C(=O)CC1CCCCCC1)C(C)(C)C	1901127630	HMRYQHFUNCFIGJ-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
Cc1sccc1-c1ccc(CC2CC2)cc1	1901898256	JOHIDPDMAQPRGG-UHFFFAOYSA-N	228.360	4.676	0	10	BJAE	
CCC[C@@H](CC)CC1(CN)CCCCCC1	1905365630	IGBWRSAYOLGPHB-CQSZACIVSA-N	225.420	4.502	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@@H](CC)CCC	1905434567	LCDUPHHFBRXFLR-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)NC[C@@H]1C[C@]12CCC1(CCCCC1)C2	1915904735	IAPXNNNBZNADAV-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](C)(N)CCC1CCCC1	1920193424	JLIZJRIBIUOARF-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCCC1CC(c2nc3ccc(Cl)cc3[nH]2)C1	1921277006	HGJNQLDFEVTOTQ-UHFFFAOYSA-N	248.757	4.510	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H](C)C1CCCC1	1924134873	GLEXNCBPLZIBSM-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(F)ccc1CC[C@H]1C=CCCCC1	1925835100	OORWYRYEQVTLLP-AWEZNQCLSA-N	232.342	4.813	0	10	BJAE	
Cc1cc([C@H](N)C[C@H]2C=CCCCC2)sc1C	1925903372	UEQQYADOIQUJHR-UONOGXRCSA-N	249.423	4.501	0	10	BJAE	
CCC(CC)CCN[C@@H](C)c1ccc(C)c(C)c1	1926176390	NGRVWYTURCNZDC-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1ccc(Cl)s1	1927981040	VDJLTOSFDJJTEN-CABZTGNLSA-N	246.803	4.507	0	10	BJAE	
CC(C)C(C(=O)c1csc(Cl)c1)C(C)C	1933559425	FIQVUSMGMMUEDO-UHFFFAOYSA-N	244.787	4.512	0	10	BJAE	
CC(C)CCCCCC(=O)CCC1(C)CC1	1935881581	GUJWNNDYCNPKHF-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCN[C@@H](C)[C@@H](CC1(C)CCCCC1)C(C)C	1940416208	QAISKVVDDTZPQK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CC1(C)C)CC(C)(C)C	1940852238	CYFQKMUVSNDEKV-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1CCC(C2(O)CCCCC2)CC1	1941144238	KLNYYZSYPLDFBN-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](O)C1CCCCCC1	1941242447	CLDGSLRXNMJWPU-HOTGVXAUSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CCC1CCCC1)NC	1941263266	NYRZAPNFBVCDQJ-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@H](CC(C)C)C(C)C	1941266683	IRZVOLYXLBIJHB-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1	1941876002	OMVOTSZIJKWRRF-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@H](N)[C@@]12CCCC[C@H]1CCC2	1944156465	PXGNURPGWJEFDW-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1C[C@H]2CC[C@H](C1)C2	1945328811	IKBUGIQTSCTWJP-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)c1cc2ccccc2s1	1945755693	LZTMZTLSNQVFJB-NSHDSACASA-N	244.359	4.520	0	10	BJAE	
CCC(F)(F)CCC(=O)C(C)(C)C1CCCC1	1947992560	FOUAAOZVVQPTHV-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)CCCCCC1CC1	1948329344	ZBRMARQPCBWQEN-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCC(C)(C)C(=O)C1	1949656008	KWNGUPPIXMLPGP-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C=CCCC1(C)C	1949661420	LJISQJVLIIWKPQ-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC(CCNC2CCCCCCC2)C1	1949859136	GWQIMNQPSLLQIF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccc(C(C)C)cc1	1950098939	DWGTVTNVDNKSRJ-OAHLLOKOSA-N	231.383	4.801	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCC2(CC2)C1	1950268982	XIXQOMNSNDRWFT-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
C1CCCC(CNC2CC[C@@H]3C[C@H]3CC2)CCC1	1966012648	VVJZSHSCVIHQKL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1cccc(C2(C)CC2)c1	1967831801	DBARFHQBMGHUAO-CZUORRHYSA-N	243.394	4.729	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCC[C@@H](C)C2)cc1	1968259452	INKRUKMQJRQPBQ-CABCVRRESA-N	231.383	4.623	0	10	BJAE	
CC[C@H](NC1CCC(CC)(CC)CC1)C(C)C	1969023948	XEKMUECEMBLNMX-HNNXBMFYSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](C)C(C)(C)C	1969039681	FEVMGPLJOPQLBD-KGLIPLIRSA-N	227.436	4.569	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]2C1)C1CCC1	1970682258	ZTHQXMNNYPZUMQ-DZUCGIPZSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)N(CCC[C@H]1C[C@@H]1C)CC(C)C	1971358377	AXTVWOKUPRIRAN-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@@H](n2c(C)ccc2C)CC1	1976403535	VUMALARHXRIDGW-HUUCEWRRSA-N	219.372	4.636	0	10	BJAE	
CCCCCc1ccc2nc(Cl)ccc2c1	1976752776	BMOPTZRPVZNNLV-UHFFFAOYSA-N	233.742	4.621	0	10	BJAE	
CCCCCC[C@@H](O)c1cc(C(F)F)cs1	1977079687	WZBRKPNXCDDFMH-SNVBAGLBSA-N	248.338	4.690	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)c1cscc1C	1978528117	UDSQYGFSAFCHGW-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
Fc1cccc(CC2CC(=C3CC3)C2)c1Cl	1985536847	NESSLOBDNHAVFO-UHFFFAOYSA-N	236.717	4.522	0	10	BJAE	
C=CC=CCCCc1cccc(C(F)F)c1	1988322223	WEVAUSMNKYPQHI-UHFFFAOYSA-N	222.278	4.689	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C(C)(C)CCF	1989222805	OOVLRBGHUUVAHZ-GFCCVEGCSA-N	230.367	4.548	0	10	BJAE	
CCCC[C@@](C)(O)CC1(C(C)(C)C)CCC1	1989443538	WOBSAWCMZNUULM-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C(C)=C(C)C	1989659771	UJTFOPHTVOURAS-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
Cc1cccc2cc(C3(C)CCCCC3)[nH]c12	1995980435	LXKJBLFQJPHTKG-UHFFFAOYSA-N	227.351	4.698	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(O)C2CCCCC2)C1	2000026410	CLZNHXVFKZVPDL-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000176548	PGFQQIAVVITHKS-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNCCC)C[C@@H]1CC1(C)C	2000511339	CLMRNUKCKRVCIV-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)CC1(O)CC2(CCCCCC2)C1	2000668716	AFTOFQGDKDCKJQ-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CC1(C)CCC1	2001151742	QAIUVONLIQNQQI-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C[C@@H]1CCC12CCC2	2001851087	KWULEDPIQAAUIW-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)[C@@H]1CCC[C@@H](C)C1	2003016806	QQSPGYGWAMYIBR-BMFZPTHFSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](N)[C@H](C)CC)CC1	2003067125	NMABHHFCRHAVRV-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C1CCCCCCCC1)C1CC1	2003096563	YJJVKGFYAYPXBE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@H](CNC2CCCCCCCC2)C1	2003098088	DDVVHLKVJGQTTO-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1CCCC2(CC2)C1	2003286199	AYOSLJCOFGDRGU-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(C(=O)CCC(C)(C)C(C)C)cc1	2003648612	ZRAWFFVFZXFJQE-UHFFFAOYSA-N	232.367	4.640	0	10	BJAE	
CSc1cccc(N[C@H]2CCCCC23CC3)c1	2005529147	MLYKIWRDBYXUFS-AWEZNQCLSA-N	247.407	4.543	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1CCCCC12CCC2	2005563395	KDLJZSVMRDFEPC-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)[C@@H]1CCCC(C)(C)CC1	2006719496	WEROVPCWHPNOBV-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(CC(=O)CC2CCCCCC2)C1	2007769922	WIRZHLCJLASJDR-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC(C)(C)CN[C@@H](C)C1(C)CCCC1	2014335282	SLXAUGWVAUZNBV-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](CN)(CCC(C(C)C)C(C)C)C(C)C	2015344286	JIVJCKUQFOLUCO-INIZCTEOSA-N	241.463	4.706	0	10	BJAE	
CCC[C@@H](C(=O)CC(C(C)C)C(C)C)C(C)C	2015378390	LORRAPOTJHIKBM-CQSZACIVSA-N	240.431	4.946	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCCC[C@@H]2C)CCC1	2015584559	LYLYRWXOPCHSGA-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@]2(O)CCC[C@@H](C)CC2)CCC1	2015640055	NSSDLLGCOMRIHR-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC(C)=C(C)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O	2017431875	VUKVABWVCCZAGO-ILXRZTDVSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1CCCCCC1	2017485323	DXXRHOGFHAYLLN-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)CCC=C(C)C)CC1	2017661434	CDUVFBONTKZYQA-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CC1(C(C)(C)C)CCC1	2017698826	BPKKAUHGJHRQCV-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)CCC(C)C)CC1	2017775675	FFZVYVKDXFKJLO-SHTZXODSSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)NCC1CCCCCCC1	2018080541	SDGYCWQTOREBFV-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC[C@@H]1CC1(C)C	2018184354	GYZHZJPWWJOVFT-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C[C@@H]1CCC[C@H](C)C1	2019173913	YOONCFIGUWXUEN-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CC=C(CC)C1(N)CCC(C(C)(C)CC)CC1	2020907305	OAIUTQRCZMYELK-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H]1C[C@H]1CC1(N)CCCCCCCC1	2022562902	MNMBGYFKPPGXDT-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@]1(O)CCC[C@@H]2CCCC[C@@H]21	2022991268	HDEBQURRLUNVPD-JYJNAYRXSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCC[C@H](C)NCCCCC(C)(F)F	2023295574	GDYVZJRERCTVBD-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)C[C@]1(CC)Nc2cc(C)cc(C)c2O1	2027859137	CPAZXCXIIKAKFX-MEDUHNTESA-N	247.382	4.650	0	10	BJAE	
CC1(CC(=O)C2CC[C@H]3C[C@@H]3CC2)CCCCC1	2028967105	HJLCWTCZUYKEQX-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC=C[C@H](C)N[C@H]1CCCC[C@H]1C1CCCCC1	2034975843	AYUFGNFPCQRMRJ-XIRDDKMYSA-N	249.442	4.680	0	10	BJAE	
CC=C[C@H](C)N[C@H](CCCC)c1ccc(F)cc1	2034977250	ILMKZNPAAZAJSJ-XJKSGUPXSA-N	249.373	4.611	0	10	BJAE	
CCc1occ(C)c1[C@H](N)CC1(C)CCCCC1	2035525985	OOVZUWSPPNJECV-CYBMUJFWSA-N	249.398	4.511	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CC12CCCC2	2036095232	PDWLMEKWJBMPFJ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C1=CCCCCC1	2037094134	CFKXURUWRSUJTD-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCC[C@@](N)(CC(C1CC1)C1CC1)C1CCCC1	2037188914	MIZSWHIOUNOBSM-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C(=O)[C@@H]1CCC2(CCCC2)C1)C1CCC1	2037677511	DSOGNJAKTIRBLN-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H]1CC[C@@](C)([C@@H]2CCC3(CCCC3)C2)C1	2037697266	GBMXBMQTIUTPCX-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CC23CCC(CC2)C3)C[C@H]1C	2039422885	YEIUOIJPXHDDSD-RXKGYNAASA-N	248.410	4.598	0	10	BJAE	
CCCCC1(CNCC)CC2(CC3(CCC3)C2)C1	2039424849	VXRDKISUXRRYQH-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)[C@@]1(C[C@@H]2CCC=CCCC2)CCCN1	2045324162	SHWYNWPXWIKJAM-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@@H](O)[C@@H]2CCCC(C)(C)C2)c(C)c1	2045369089	ZCPVEZKRYANYEO-ZBFHGGJFSA-N	246.394	4.553	0	10	BJAE	
CCC[C@H](C)CC(=O)c1c(C)oc2ccccc12	2045584023	GIWPLSJDMWUZHL-NSHDSACASA-N	244.334	4.750	0	10	BJAE	
C1=C(CNC2CC3(CCCCCC3)C2)CCCC1	2046232925	FYAYHBMWUSZVBL-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)C[C@@H]1CC12CCCCC2	2047013147	SZBSDRJMJJUVIA-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CC1(C)C(C(=O)C[C@@H]2CC23CCCCC3)C1(C)C	2047054682	GFANZJJSYKUKBX-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CC12CCCC2)C1CCCCC1	2047055344	JZZZOSDWWUVDMI-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047439080	XJBDSBHNNQSSIF-YLFCFFPRSA-N	249.442	4.514	0	10	BJAE	
O[C@@H](C[C@@H]1CCC12CCC2)C1=CCCCCCC1	2047945379	BOBJPSWOJHGLKG-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
C1=C[C@@H](CNC2CCCCCCCC2)CCCC1	2049677754	GNTCISHEPXLDET-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](C)CC[C@@H](NCC)c1ccccc1C	2050457969	IUHOTLQEGVVGPW-RHSMWYFYSA-N	247.426	4.862	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C1CC1)c1ccco1	2050525630	PYPUOXRIXIUSRC-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H]2CCCC(C)=C2C)C1	2055550926	VODVWNGRKVNRII-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H]1CCCC[C@H]1C	2056879959	XZKMWRFRZLJDTI-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC(N(C)C[C@H]2CCC=CCCC2)C1	2058851773	FXLBGQKUGAYWCD-GTPINHCMSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H](C)c2ccccc2)CC1	2058992027	OEBFSSFMHZQIQC-SQWLQELKSA-N	244.378	4.576	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)CC12CCC(CC1)C2	2059180264	JBGSCURWOUOESH-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NC)[C@@H](CC)c1ccccc1	2059256177	NFKOSCOYVHDNLW-JSYWMUGDSA-N	245.410	4.515	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CC2=CCCCC2)NC)CC1	2061099406	OZDQYKSENRYJMQ-PBHICJAKSA-N	247.426	4.601	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(N)CCC[C@@H]2C(C)C)CC1	2061118518	HQJLKWDHHLEELR-OIISXLGYSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)[C@H](C)C1CCC1	2061144227	PRCHWHXGRSPWMD-CPUCHLNUSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CC[C@@]12CCC[C@H]1C2	2061601748	JKPOXKKABIFPGE-QBYUYEEZSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC12CCC(CC1)C2	2065273827	AYAXKITYACUVJN-DKVOJFQGSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)CC23CCC(CC2)CC3)CC1	2065303815	VJLJTJOJGOWXJT-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)CC23CCC(CC2)CC3)C1	2065303962	WOGJDJQMWYVZQN-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
NC1(C2CC=CC2)CCC2(CCCCCC2)CC1	2065895928	CHPLIIUYCHSRFQ-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CCCC2)C1)[C@H]1CCC1(C)C	2068347521	BZXDFOXPRZQDIA-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CC1(CNC2(CC3CC3)CCC2)CCCCCC1	2069496866	UYKCMMAOZRHCJW-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)c1ccc(C(C)(C)C)cc1	2070948951	XGSUTELDTIMECZ-SJKOYZFVSA-N	244.378	4.603	0	10	BJAE	
CC(C)C1(CCC(=O)c2cccc(F)c2)CCC1	2071914130	ZDOBURXOLZNXLR-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CC(C)C(CC=C1CNC12CCCCC2)C(C)C	2072193863	HRWCMIPNTWHYFH-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(CC[C@H](N)c2ccco2)CC1	2072804540	SZCHYYPDLKUWCH-NRXISQOPSA-N	249.398	4.666	0	10	BJAE	
CN(CCC1CCCCC1)[C@H]1CCCC2(CC2)C1	2074893833	XFMMNBVCDBDJCX-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H]1CCCCN1[C@@H]1CCC12CCCCC2	2075009947	DIAHDRQRIJLYLX-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
C1=C[C@@H](N2CC[C@@H]2C2CCCCCC2)CCCC1	2075404437	ZCJKYIUTTNQZEQ-IAGOWNOFSA-N	247.426	4.530	0	10	BJAE	
O[C@@]1(CCC2=CCCCC2)CCCCC12CCC2	2075721450	PFFPKAICHQAIHJ-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CCCCc1ccc([C@H]2CCC(=O)[C@H]2CC)cc1	2077923085	JLKOWSDCGAQCFS-JKSUJKDBSA-N	244.378	4.502	0	10	BJAE	
CCCCC[C@@](C)(N)c1ccc(CCCC)cc1	2077927542	JEODYQXKULZOFQ-QGZVFWFLSA-N	247.426	4.783	0	10	BJAE	
c1cc(N[C@H]2CCC3(CC3)C2)cc(C2CCC2)c1	2078337938	OZDIJXCZDUKOIB-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@H]1C[C@H]1C1CCCC1	2079436708	WSCUPIQDYWOLLK-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCC(=C[C@@H]1C[C@@H]1C1CCCC1)CNC(C)(C)C	2079675311	HDTANOUKHCKVQI-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1CC1)C[C@H]1C[C@@H]1C1CCCCC1	2079850735	HCIHYDUOSNVNNO-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@@H]2C2CCCC2)CC1	2079851722	MWGUXZZETAWORT-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCCN(C)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2081138451	VYNJBPHWMNFODD-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C1=C[C@H]2CC[C@H]1C2	2081679552	CPOOAERITQJWRQ-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC[C@H](Nc2ccc(C3CC3)cc2)C1	2085245098	QPVGAJMZHVNTCS-RDJZCZTQSA-N	243.394	4.801	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(CC2CCC3(CC2)CC3)C1	2085303729	QFWNEZHUOHJERU-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(=O)CCCCC2CC2)c(C)s1	2211106001	VVIJDLGRUZGHFO-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@](N)(CC)C1CCCCC1	2215253369	OGWCSOGLMCPGHB-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](O)C1(C)CCCCCC1	2215254826	VHBGRIFXAHZIGQ-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CC2(C)CC(C)(C)C2)CC1	2215381478	BCLMODMYFCUEAS-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC1(NCC2(C)CC3(CCC3)C2)CCCC1	2221012682	FEVMXKYCCALCEH-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
Cc1cc(F)cc(C(=O)CC2(C)CC(C)(C)C2)c1	2221088137	KUSADIMVMVABSZ-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCC2=CCCCC2)CC1	2221640847	PPAOMHSMFJQADY-QGZVFWFLSA-N	246.394	4.973	0	10	BJAE	
CCC[C@H](NC[C@H]1CC=C(C)CC1)[C@H]1CC1(C)C	2221660958	DDCXHSNIUIWJIP-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1c(C)cccc1C	2221923008	MSFZJZQXQOLOPO-OAHLLOKOSA-N	246.394	4.949	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	2222982928	VGSZLBTUGWAHCV-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CNC2CCC2)(C2CCCCC2)C1	2223601745	XJUYREREEKPQGW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C(=O)c1cccc2ccoc12)C(C)C	2224193732	JUWKUSFXGKCWEW-UHFFFAOYSA-N	244.334	4.544	0	10	BJAE	
Nc1ccccc1C=Cc1ccc(C2CCC2)cc1	2231688801	YVBQGOXKNYKIMN-UHFFFAOYSA-N	249.357	4.707	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1sc(C)c(C)c1C	2242871845	UHJDDVRTCFOEJN-CYBMUJFWSA-N	240.412	4.533	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@@H](CC)CCC	2244784566	UMSKCQMIZNEVOQ-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCCC1([C@H](O)CC[C@H]2CCC[C@H](C)C2)CC1	2246735654	ZQVVWIPSENVFAU-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
Cc1sc(C/C=C/c2ccccc2)c(C)c1C	2246801955	CSQZQNVXEQRJMB-JXMROGBWSA-N	242.387	4.929	0	10	BJAE	
CCCN[C@H](CCC)CCCCC[C@H]1C[C@@H]1C	2247162722	CSORIMKMURWZHT-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)NCC[C@@H]1CCCC12CC2	2247654232	ITZMUYGNHSERQP-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCCCC(=O)C[C@H]1CCC[C@@H]1C(F)F	2249201624	HYODXCRAUWUPTK-YPMHNXCESA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)[C@H]1CCC[C@H](CC)C1	2250366886	MXSLXYOATULGIF-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H]1C=CCCCC1)NC	2250367514	AFAOERXVOUROMQ-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@@H]1CCC=CCCC1	2250384178	ZTBOLIIZDXNKNQ-OAGGEKHMSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](CC)CNc1c(C)cccc1CC	2250388937	DOGNYZWPSXFKMW-CQSZACIVSA-N	233.399	4.796	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(C)(C)C[C@@H](C)N	2250513240	FGYCXNUDQNANGZ-HUUCEWRRSA-N	241.463	4.993	0	10	BJAE	
CCCN[C@H](CCC)CC[C@]12CCC[C@H]1CC2	2251202767	WGVILMSWTQLQNK-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
C(CCC1CC1)CNCC[C@@H]1CCCCC12CC2	2253885009	YDIFRAOCBLLPMP-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2C(=O)C[C@H]3CC[C@H]2C3)C1	2253966341	URUQCELOIOBWSN-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CC1([C@](C)(N)CC2CC3(CCCC3)C2)CCCC1	2254112714	GVBGSAPEFUTVKI-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1(N)[C@H]2CCC[C@H]1CC2	2257316276	QGYKFIYUXVJCAP-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC1(CNc2cc(C3CC3)ccc2F)CCCC1	2259115042	YUDHXGJXVGPWIC-UHFFFAOYSA-N	247.357	4.695	0	10	BJAE	
CCC[C@@H](CC)[C@@H](NC)c1cc(C)c(C)cc1C	2259440801	IEHZIJVYQQPBMW-NVXWUHKLSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@@]12CCCC[C@@H]1CC2	2260557295	OODIJGSWZBQZNP-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(NC[C@@]23CCC[C@H]2CC3)cc1	2260575228	RPFPBJKGKQJZIM-RDJZCZTQSA-N	243.394	4.631	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)C[C@]12CCCC[C@H]1CC2	2260579439	REBAJMUSPCBVAJ-SZOQZIPDSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@@]12CCCC[C@@H]1CC2)C1(CC)CC1	2260581671	FADPFLFREQYJGQ-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
F[C@H]1CCC[C@@H]1Nc1cccc(C2CCCC2)c1	2260716404	NUHSUJZFWFLHGE-HOTGVXAUSA-N	247.357	4.647	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H]1CCNc2ccc(F)cc21	2261336052	AMUHBZVSPVWUHS-FRRDWIJNSA-N	247.357	4.551	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@@H](C)CC1CCC1	2298917122	QGQCPYPYHZEESH-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCn1ccc2cc(F)ccc21	2300698651	AQHPCKXOISWAMX-UHFFFAOYSA-N	233.330	4.607	0	10	BJAE	
CC=CC[C@@H]1CCCCCCC[C@H]1NCCC	2300924429	SVHHJFDCNBVHQC-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C1(N)CCCCCCCC1	2301899272	HFEWDTNOSPSEAE-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
c1sc([C@@H]2CCCC23CC3)nc1CC1CCC1	2302255455	YAGJXNHGSFQJDX-ZDUSSCGKSA-N	247.407	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)CCCC1=CCCCC1	2302356493	NWTOBYCKFMKHAU-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CC(C)(C[C@H](O)CCCCC2CC2)C1	2302575914	BDIWIJIIJHRWNT-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CN(C)CC1CCC(C)CC1	2307750735	YBFHLAKSBBTFDN-PCKAHOCUSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](N)[C@H]1CCCCC12CCC2	2311563774	QQTHBHIQQIYMNK-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)C1	2311893232	WTHCUFGVZIBMFF-TTZDDIAXSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCCC1)C(CC1CC1)CC1CC1	2313665217	NCLDWJXFZYHZQM-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
OC(CC1CC1)(CC1CC1)C1=CCCCCCC1	2315434607	XJAUMIXMDLPMIT-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCC[C@@H]1C[C@@H]1C	2315870049	JGAZTLGQNOIFFX-GOEBONIOSA-N	245.410	4.967	0	10	BJAE	
CCC(CC)CC[C@](CC)(CN)c1ccccc1	2316240114	MDOSUCXBSBZJQI-QGZVFWFLSA-N	247.426	4.510	0	10	BJAE	
CCC(CC)CC[C@@H](O)C[C@H](C)c1ccccc1	2316244033	VRSYFZHGOWBWOQ-WMLDXEAASA-N	248.410	4.758	0	10	BJAE	
CC=CC[C@@H](NCC)c1ccccc1C(C)(C)C	2316503541	QADWVFWELBPZRU-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CC=CC[C@@H](NCCC)C1C[C@H]2CCC[C@H](C1)C2	2316531488	FXFLFPQYNDKBAO-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@H]1CCC[C@@H]1C	2317562073	PLGJAASXIQHFJW-WCQYABFASA-N	245.341	4.525	0	10	BJAE	
C[C@H]1[C@@H](Nc2ccccc2C2CCC2)CC1(C)C	2318252516	QEIXOZHHQKKCGE-LRDDRELGSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1C(C)(C)C[C@]1(N)C1=CC[C@H](C(C)(C)C)CC1	2318266778	RWNAFLFNKYTKHP-IIYDPXPESA-N	249.442	4.523	0	10	BJAE	
CC[C@@H](NCCCC1=CCCCC1)C1CCCC1	2318521046	DLQFAEMMGXEKPR-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1([C@@](C)(N)CCCC2=CCCCC2)CCCC1	2318544098	VJSDGTIIOIVSGE-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C[C@]12CCCC[C@H]1CC2	2318937857	DNMCQVKHQSFIRY-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C[C@](C)(N)[C@H]2CCC2(C)C)CC1	2320328165	OWCQXZVOIDOLAU-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CCN(C[C@@H]1CCC(C)=C(C)C1)[C@@H](C)C1CCC1	2320399640	YBUBWSLCZLDZHH-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CC[C@H]1CCCCCN1C[C@H]1CCC(C)=C(C)C1	2320400678	ZZDQTTFAZYXPNF-IRXDYDNUSA-N	249.442	4.778	0	10	BJAE	
CC(C)c1cccc(C(=O)CC2CC(C)(F)C2)c1	2320575253	WORYSEBZQHUCHL-UHFFFAOYSA-N	248.341	4.521	0	10	BJAE	
Cc1cc(F)cc(NCC[C@H]2CCC(C)(C)C2)c1	2321528973	KNKXPUNQNSYHAD-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)[C@@]2(C)CC=CCC2)C1	2321612278	ZLXZOLSXWKYSRF-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)CCCc1ccccc1	2328281632	IYDQPPGCAZWIQY-NVXWUHKLSA-N	247.426	4.553	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2cccc3c2CCCC3)C1	19990901	TXZUBZCAZTXXBJ-HIFRSBDPSA-N	243.394	4.556	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)c1ccccc1	20358690	JOIDDIOTZMVSHC-CABCVRRESA-N	233.399	4.696	0	10	BJAE	
Cc1c(C)c(C)c([C@H](N)CC(C)(C)C)c(C)c1C	20548590	CHIZCNXJAQKRKM-OAHLLOKOSA-N	247.426	4.665	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1ccc(C)c(C)c1	20587057	QLIQREATWXXEEG-HOCLYGCPSA-N	233.399	4.520	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@@H](C)c1ccsc1	61360580	NMWROELBTIIQKA-DYEKYZERSA-N	239.428	4.614	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2cc(Cl)cc(Cl)c2)C1	70748063	WRTGCOPSNKGOLA-LDYMZIIASA-N	244.165	4.594	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCC[C@@H](C3CC3)C2)c1	81626729	LGGUUKPYRCYFRP-KGLIPLIRSA-N	247.357	4.515	0	10	BJAE	
CCC(CC)CNc1c(C)cc(C)cc1Cl	83367708	VNHFPMJHAUSJGQ-UHFFFAOYSA-N	239.790	4.805	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cccc(C=O)c2)cc1	84051803	IMQWXXFVTIEFPS-ZDUSSCGKSA-N	238.330	4.680	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1C	85084975	DQGDYMJXPJHRRV-DUVNUKRYSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@@H](NCCC)C1CCC(CC)CC1	87938114	HBHXSOUSIMKTEL-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC([C@H](O)CC2CCCC2)CC1	87960603	FLDUXQYPQQDMEP-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CSc1ccc(NCC2CCC(C)CC2)cc1	89575472	SVAKVNNOFHCNIZ-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
Cc1cccc([C@H](CCC(C)C)CNC(C)C)c1	93126938	WOJKORIHQFRFEE-QGZVFWFLSA-N	247.426	4.513	0	10	BJAE	
CCCC[C@@](CC)(CC1CCCCC1)C(=O)O	103940288	WHRXGKPKERUCAX-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1ccc(O)cc1C	107490094	KQIDSRWKZSAOKZ-FMFIFOJESA-N	218.340	4.551	0	10	BJAE	
C/C=C\CCc1cc(Cl)ccc1Cl	107564408	KRSQSJBDLJAESH-IHWYPQMZSA-N	215.123	4.502	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCc1ccccc1	109709532	BYJHKPRPUQRZNQ-HNNXBMFYSA-N	246.394	4.795	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)Cc1ccc(C)cc1	109713863	AYRDMKLIOSLPQJ-RDJZCZTQSA-N	248.410	4.505	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C)c1c(C)cc(C)cc1C	109946581	MAWXVHJSDHUVKR-HZPDHXFCSA-N	247.426	4.841	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)c1cccc(Cl)c1	114392271	VZKMCHVXXYWDCW-JTQLQIEISA-N	238.758	4.595	0	10	BJAE	
CCCCCC[C@H](NCCC)C(C)(C)CC	124903479	IAGYQKRGTZIDLW-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCCC(C)(C)CC1	129378018	BSZAYYONGYGLKV-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC2=CCCCC2)C1	161017603	BTTSKJZMQJQOSI-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(CNCC)C(C)C	164335988	RKHQUIQGUAKLJV-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1CCC1)NCCC	167095971	VFXFPQAAUQCBJC-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@H](N)c1c(C)c(C)c(C)c(C)c1C	167221317	KQQFUPOQXNMVAH-QFYYESIMSA-N	247.426	4.665	0	10	BJAE	
CCCC[C@H](CCC)NCC1CCC(C)CC1	225979404	ZJWIEIJPTDNZHG-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1CCC[C@@H]1C	226819092	FBGIGLSCWFFZOJ-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CC[C@@H](C)c2ccccc21	228156674	WKVJOHQEAWVSPL-JJRVBVJISA-N	246.394	4.598	0	10	BJAE	
CC(C)[C@H](N[C@@H](C)CC1CCC1)c1ccccc1	229677862	KHTKIVZTLVNLQK-YOEHRIQHSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H](C)c1ccc2oc([C@H](O)C(C)C)cc2c1	232359359	WMHJXMQUVBWJMI-BDJLRTHQSA-N	246.350	4.636	0	10	BJAE	
Cc1c(N)cccc1NCCCCCCC(C)C	232542449	VUWACUKTOZTRGR-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
Clc1ccc(N[C@@H]2C=CCCC2)c(Cl)c1	236064325	VTTUXYGAVMLTMO-SNVBAGLBSA-N	242.149	4.514	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCCC[C@H]1C(C)(C)C	251324245	MHORASMJNLOPPW-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@H]1CC[C@@H](CC)C1	251347793	PXJAXBMHUAXOQT-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C[C@H](C)C(C)(C)C	252895200	AECPJWZQYZUGHI-SOUVJXGZSA-N	241.463	4.993	0	10	BJAE	
CC(C)(C)C1CCC(c2cccc(C=O)c2)CC1	258355039	OIVHDEOFOUNJMK-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CCC1CCCC1	300813045	XTLJRTYACHNOMM-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CCC1CCCCC1	302267601	QHIUUJNWQXTXLD-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
Cc1c(Cl)sc2ccc(C(F)F)cc12	307105972	IXUVXTBCOOPSMB-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@@H]1CCc2[nH]c3ccc(C(C)C)cc3c2C1	307989010	UEPLWLWRUUEMBT-GFCCVEGCSA-N	241.378	4.806	0	10	BJAE	
CCCCC[C@](C)(O)CC1CCC(C)(C)CC1	310153313	PQMRRUKFHDBNOY-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)CCCNCC1CCC(C)(C)CC1	310541080	STVZBCRWGHEZBA-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)C1(CNC(C)(C)C)CCC(C)(C)CC1	318346393	UHXMZYCWQYATDU-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)c1ccc2ccccc2c1	319283182	DVTRUYBEZVROOX-OGHNNQOOSA-N	242.362	4.555	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)C[C@H]1CCCCN1	380003098	YMTRGMYMVNQLCW-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1ccccc1C(C)C	380053924	MQSLJCFHUCIJEC-HNNXBMFYSA-N	233.399	4.507	0	10	BJAE	
CC(C)CCCCC[C@@H](O)CCC1CCCC1	383124521	CBJZJQYKFMQLBR-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCc1ccccc1[C@H](O)CC1=CCCCC1	384568066	UINSTNJQHBFZMF-QGZVFWFLSA-N	244.378	4.563	0	10	BJAE	
CCCc1ccccc1[C@@H](NCC)[C@H](C)C(C)C	384677075	SKCKTWVOCKWEMN-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
C[C@H](C[C@H](N)C(C)(C)C(C)(C)C)c1ccccc1	385129655	KYLBLSSDTGNXTH-HIFRSBDPSA-N	247.426	4.580	0	10	BJAE	
CCCCCC[C@H](N)CCC1=CCCCC1	385854029	YGGDTCCOIGVKMF-HNNXBMFYSA-N	223.404	4.565	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCCC12CCCC2	385862338	XDIDJJFHGMBLLV-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
Cc1cccc([C@H](O)C[C@H](C)C2CCCCC2)c1	386515891	MXDGTZFUJGJCNP-WMLDXEAASA-N	246.394	4.635	0	10	BJAE	
CCC(CC)[C@@H](C)NC[C@@H]1CCC[C@@H](CC)C1	394566779	MOQSMRGYAWEXRM-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CCC/C(=C\Br)CC1	606291529	RIHDYRRKZYNBNT-USKTWTLRSA-N	245.204	4.892	0	10	BJAE	
Cc1csc(C2CC(C)(C)CC(C)(C)C2)n1	688329997	HCANKHPDNIXDLS-UHFFFAOYSA-N	237.412	4.771	0	10	BJAE	
CC(C)c1cccc([C@@H](O)CCC2CCCC2)c1	688971098	KNWSMFOGRSXNSY-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CCc1ccc(CC)c(NC[C@H]2CC=CCC2)c1	689614652	QNYFNLRJZIRNEV-HNNXBMFYSA-N	243.394	4.580	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1cscc1C	691037484	IWMBVYAONACQSD-OLZOCXBDSA-N	237.412	4.827	0	10	BJAE	
CC(C)=CCCN[C@@H]1CCCCC[C@@H]1C(C)C	691149667	LXGJYZCRTQHVFI-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCc1ccc(N[C@@H](C)C2(C)CC2)cc1Cl	691249103	FXHXPIQJIRVNLL-JTQLQIEISA-N	237.774	4.503	0	10	BJAE	
CCC[C@H](C)CC1(CNC(C)(C)C)CC(C)C1	691411924	AAWWFIHASGNOMY-HLIUYOAVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc2sccc2c1	691843568	WZMGYDWNMXOVKA-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H](C)C1CCC1	692678326	MPTZXVAOQPQGJP-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@]12CCCC[C@@H]1C2	693630391	MYUOMSFGAPMZAU-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c(C(=O)C2CCC3(CC2)CC3)s1	695605161	DCFWAVUVPZNESR-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CN[C@@H](CCC1CCCC1)[C@H]1CCCC2(CC2)C1	695980909	BNWRKRJTTRDUOI-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@H]1CCCC2(CC2)C1	695986894	SPVGMUIJUGSUPG-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@H](C)CC(C)(C)C)cc1C	704674313	WGKHSALCQVNIAF-GDBMZVCRSA-N	248.410	4.718	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H]1CCCC[C@H]1C	704879453	RLKMPKIFYYCLHJ-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(Cl)c(O[C@H]2CCCC[C@H]2C)c1	704912977	KAIIXMRTJZNMHN-YPMHNXCESA-N	238.758	4.606	0	10	BJAE	
CCCC(N)(CCC)CCC1CCCCC1	704975131	CQQFQQMTYJXXLF-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H](C1CCC1)C1CC1	705305746	YUEPRELPYWJTAN-OAHLLOKOSA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1C[C@H](NCC[C@H]2CC=CCC2)CC(C)(C)C1	706868394	LPIMJESSJKDGEP-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(CC(=O)[C@@H](C)CC(C)(C)C)CC1	709263344	QDKQGRUTSDSJKZ-MOKVOYLWSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CCCc1ccccc1	709269944	BPURHXHEANYEIN-AWEZNQCLSA-N	246.394	4.651	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@@H](C)CC(C)(C)C)C1	709271623	JUUXBFVWSHFZJX-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(CC(C)(C)C(C)C)C1	713144876	DAFPQJHUGQNPCR-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)CC(C)(C)C1CC1	713191745	VWZBWRSHDIGTGP-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC(C)(C)C(C)C	713305006	UQRWBCGGKNMRPK-ZDUSSCGKSA-N	226.404	4.700	0	10	BJAE	
CCC(C)(C)CC(=O)c1cc(C)cc(Cl)c1	713325799	JRNRNFGGRWFQFM-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
C=C/C=C/CCNc1ccc(CCCC)cc1	713645636	VZLHOXIOKDDAKS-FNORWQNLSA-N	229.367	4.573	0	10	BJAE	
C=C/C=C/CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CN	713710137	MTNDHQLTIIYXTD-JZNSLKIISA-N	249.442	4.546	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCC(C)(C)CC1=O	717462579	IHNUABGOBRMVMH-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
C1=CCCC(N[C@H]2CCCCC23CCCC3)CC1	718052035	JAFNOIJGPKQOLK-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
CC[C@@H](C[C@H](O)CCC(C)=C(C)C)C(C)(C)C	718624713	CVCIJAJZYKQEPN-LSDHHAIUSA-N	240.431	4.946	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1c(C)oc(C)c1C	718636811	XVGWCKXIZSWKKP-HNNXBMFYSA-N	249.398	4.602	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCCC(C)(F)F	718655082	RTJPOHWFAPTMIT-LLVKDONJSA-N	234.330	4.597	0	10	BJAE	
CCCCC[C@](N)(CC)CC1CCCCC1	720357149	FAHZZFRYRURNPF-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)c1csc2ccccc12	722858580	VBLIBGQJECPAKA-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
CC1(C)CCC(N[C@@H](C2CCCC2)C2CC2)CC1	723961214	URNDKUVCZMUTNS-INIZCTEOSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H](C1CCCCC1)C1CC1	723979337	BUBRZUUUXWLZFS-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
C1=C(CC[C@H]2CC3CCC2CC3)CCC1	821962373	CFQHTJRYQPLDRZ-NRXISQOPSA-N	204.357	4.703	0	10	BJAE	
C[C@@H]1CC[C@@H](Sc2nccc3ccccc23)C1	1473050745	DVXVLFLQKVIORT-DGCLKSJQSA-N	243.375	4.516	0	10	BJAE	
C1CCC(SCCC2CCCC2)CC1	1559334929	DCVVJKGNTVUPOH-UHFFFAOYSA-N	212.402	4.633	0	10	BJAE	
CCC1(NC[C@@H]2C(C)=CCC[C@@H]2C)CCCCC1	1560843436	ZICSDDBIFUTWFX-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1NCC1CCC=CCC1	1665723742	MYVCVCQNFMZLRI-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)N(Cc1ccccc1)[C@@H](C)CC	1880413501	OAWGZQOVPWMPLA-JYJNAYRXSA-N	247.426	4.722	0	10	BJAE	
CCc1ccsc1[C@H](O)CCC(CC)CC	1900705849	WZCVEBAPROSDOI-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CCCC12CCC2	1921499731	RYTGXMVLLKZPPE-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1cccc(NCC[C@@H]2CC2(C)C)c1	1921544788	CNKPXGPESXRBKY-CQSZACIVSA-N	231.383	4.658	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)[C@@H]1CCCC12CCC2	1921595530	PPVMAGAAFLWAGX-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H](C)C2CCCC2)cc1C	1924140639	AMAUKJZAYSXBQH-CQSZACIVSA-N	244.378	4.621	0	10	BJAE	
Cc1ccc(Cl)c([C@H](N)C2=CCCCCC2)c1	1925542897	OYVICHAYVOHKTR-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCCC1)C(C)(C)C1CC1	1925801397	CFILJDKTHYSRDU-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H](NC[C@@H]2C=CCCCC2)CC(C)(C)C1	1925916554	HERROTUDLNTVEX-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCCCCC(=O)[C@H](CC(C)C)C(C)C	1936206968	MWOBIPCKFHTFBA-CQSZACIVSA-N	226.404	4.844	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CCCCCC1CC1	1936421216	ZJCXKVZQJKTUIQ-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)c1ccc(C)s1	1937268581	RAEIVQLIXOWYDP-WCQYABFASA-N	239.428	4.533	0	10	BJAE	
CNCC1([C@H](C)CCC(C)C)CCCCCC1	1942657062	DZIGAOODEFLERY-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CN)CCCC1(C)C	1944479134	ZBDVDYDCYJRVOL-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](C)CNc1cccc(C2(C)CC2)c1	1944599777	HTYTUFQQRGJCMS-CYBMUJFWSA-N	231.383	4.586	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCNC[C@@H]1CCC	1944891210	NSQARKNOFOOJIM-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C[C@H](N)CCC(F)(F)CC)C(C)(C)C	1947989891	DCFNJDYJKPRZKQ-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(N)[C@H](C)CC(C)C)C1	1948325109	FGVMUWVCDSGXEY-LVQVYYBASA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C(=O)[C@H]1CCC2(CCCC2)C1)C(C)C	1949502707	XMQNDTIQCVIQJT-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(CC[C@@H](O)CC2CCCCC2)C1	1949911369	CSNIWFANCPROIJ-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@H]1CCC[C@@H](C)CC1	1950930912	SIBRZHVESIETMH-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C1CCCC(NC2CC(C3CCCCC3)C2)CC1	1965988841	KPOCEPFDJIEYRY-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@@H]2CCCCC23CCC3)C1	1966064036	FIPPJMRXKIYFEY-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NC2C[C@H]3CCCCC[C@@H]3C2)c1	1968251796	JHBPEZVWCKTNAQ-HUUCEWRRSA-N	243.394	4.766	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)c1	1968251797	JHBPEZVWCKTNAQ-SCAQPMJSSA-N	243.394	4.766	0	10	BJAE	
CCCc1ccc(NC[C@H]2CCC3(CC3)C2)cc1	1968426194	MBDLWXZFZKACIA-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)CCCC(C)C	1969918881	RVYDWOCFIBYSEK-ZNMIVQPWSA-N	227.436	4.616	0	10	BJAE	
CC[C@H](NC1CCC2(CCCC2)CC1)[C@@H]1C[C@@H]1C	1970538274	MUVIGVCQERPCKH-IMJJTQAJSA-N	249.442	4.514	0	10	BJAE	
CCC1(CN[C@@H]2CCCC3(CCC3)C2)CCCC1	1971014441	LUSBVZOFYJNYLB-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@H](CC)CNCC(C)(C)CCC	1976009902	DZDUCFWMTUBTNN-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CCCc1csc([C@@H]2CCC[C@H](C)CC2)n1	1976351813	ZJLXOGMPKOVUHL-NWDGAFQWSA-N	237.412	4.779	0	10	BJAE	
CCCCCC[C@@H](N)[C@@H]1CCCC(C)(C)C1	1978392800	ABBXHTFEZJGHGF-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](c2csc(C(C)(C)C)n2)C1	1980284753	AZDLIBMXKSPRRV-QWRGUYRKSA-N	237.412	4.734	0	10	BJAE	
CCC(CC)CN(C)[C@H](CC)CCC(C)C	1986966518	FKVDHSZQTKPFRX-OAHLLOKOSA-N	227.436	4.569	0	10	BJAE	
CCCCC[C@@](N)(CC)CCCC1CCC1	1990089815	PYDHNKVDOZFSDK-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CCC(C)(C)C	1995252946	BGIIUFAQMCFVAT-ZIAGYGMSSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CCC1(C)CC1	1995259139	KOHRGRDZHJMREW-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)C[C@H](C)CC(C)(C)C	1998741670	KBWJXMHVCCACJV-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1CCCC(F)(F)C1	2000108358	YWFFZSRYHMCTQP-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](NC)C1(C)CCCCCC1	2000337101	YMYHZQGEDMPRPF-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C[C@@H]2CCC[C@@H]2C1	2000822140	ZFNVJZLEHFASPX-MUJYYYPQSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CCC(N[C@@H](C)C(C)(C)C)CC1	2004351440	TZRDJTQCIYOZQR-ZDUSSCGKSA-N	239.447	4.760	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCCCC12CC2	2005538855	ZNNHCMGDTAPLKH-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H]1CCC(C)(C)CC[C@@H]1NCCC	2009403757	GJUUXGSGQOZQHA-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C1=CC[C@H](C(C)C)CC1	2010727620	YKUZKJQHIKQCJI-ZFWWWQNUSA-N	238.415	4.556	0	10	BJAE	
C[C@H](C[C@H](O)CCC[C@H]1C[C@@H]1C)CC(C)(C)C	2011560219	WKTXBOWUYVVDEW-CBBWQLFWSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@H]1CCC[C@@H](C)C1	2013311337	ICEBQZXSWCGWDQ-OAGGEKHMSA-N	239.447	4.712	0	10	BJAE	
CC(C)C(CC[C@]1(O)CCCC1(C)C)C(C)C	2015333715	CWRSIYHWDZMITL-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@H]2CCCCCCC2=O)CCC1	2015593692	FKOBAESBPBMSFT-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
CCCC1(C[C@](O)(CC)[C@@H]2CC2(C)C)CCC1	2015636635	ZZGHLMPOUMPBLA-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](O)C2(C(C)C)CCC2)CCC1	2015640185	PIAITKITHYOCON-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@@H](C)C[C@H]2C)CCC1	2015641430	FELJVYMCCXSOMZ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCN(CC1(C(C)(C)C)CCC1)[C@H](C)C(C)C	2017129943	WAAHUNLNTQWUHJ-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCCNCC1(C(C)(C)C)CCC1	2017134254	DRKOUBHKDKRNGA-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CCC[C@@H]2C)CC1	2017731732	VDUTZNBGDZAGGE-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H](C)C(C)(C)C	2018187782	IDCOHMJNQKALKJ-GJZGRUSLSA-N	241.463	4.959	0	10	BJAE	
CCCN[C@H](CCC1(CCC)CC1)CC(C)C	2018987180	IHOKMKXFOPMQBE-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN(C1CCCCCC1)[C@H](C)CCC(C)C	2020507110	AOCFPKUENNUBAG-OAHLLOKOSA-N	239.447	4.856	0	10	BJAE	
CCCCN(C1CCCCC1)[C@H](C)CC(C)C	2020535372	GKZXOJXLJCZGPE-OAHLLOKOSA-N	239.447	4.856	0	10	BJAE	
CCCN(CC1(C)CCCC1)C1CCCCC1	2020535668	KNXILLMMIMIKSS-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC(C)(C)C1(C)C	2025017354	AUOXEFSKCIGUJW-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@H](C)CC(F)F	2026168273	YYQCDHADYGEDKH-RWMBFGLXSA-N	249.389	4.602	0	10	BJAE	
C/C=C/CCCc1ccc(C)c(C(F)(F)F)c1	2026345589	GJSORUCRKVNZPT-ONEGZZNKSA-N	242.284	4.913	0	10	BJAE	
CCCCC[C@@H](Cc1ccccc1C(C)C)NC	2027498879	KLKNRUCUQCFKCM-INIZCTEOSA-N	247.426	4.521	0	10	BJAE	
CCCC1(C(=O)Cc2ccccc2C(C)C)CC1	2027512667	ZKHPXYKUFNMSAC-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC1CC(CC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1	2027588771	QVJKTYBHVSOWHR-UIEKQHFFSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc2c(c1)N[C@@](CC)(C[C@H](C)CC)O2	2027996575	CXJNOZVUWTVMST-MLGOLLRUSA-N	247.382	4.596	0	10	BJAE	
CCc1ccccc1[C@H](O)[C@H](CC(C)C)C(C)C	2028234614	IAORIBPMHSTCLR-SJORKVTESA-N	248.410	4.601	0	10	BJAE	
CCc1nc2ccccc2n1[C@@H](C)CCC(C)C	2029835366	FVFGYXQPNPPPDP-ZDUSSCGKSA-N	244.382	4.596	0	10	BJAE	
CC[C@H](C(=O)[C@@H](C)CCC(C)C)c1ccccc1	2029839450	ZLXRAGSFPDHVKD-HOCLYGCPSA-N	246.394	4.822	0	10	BJAE	
C[C@H]1CC([C@@H](N)CCC2=CCCCC2)C[C@H](C)C1	2030230368	LUHURFNNZTYQHC-CPUCHLNUSA-N	249.442	4.667	0	10	BJAE	
CC1(CNC[C@]23CCCC[C@@H]2CCC3)CCCC1	2031804709	MIZGRQOVKBOAKL-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@]2(N)CCC=CCCC2)C1	2031824036	DNTRPVVLHNFQHH-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
FC1CCC(C[C@@H]2CCNc3ccccc32)CC1	2032174878	SMFLGRJWNKWUJM-MOKVOYLWSA-N	247.357	4.504	0	10	BJAE	
C1=C[C@@H](NC2(C3CCCC3)CCC2)CCCCC1	2033058226	FIAZVZDYJXINEW-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
CC1CCC(CC2(N)C[C@H]3CCCC[C@@H]3C2)CC1	2034162292	SOWAGOZTBPJMML-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCC1)C1CCC(C)(C)CC1	2035592220	NIVPFRMPZKZFNQ-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCCc1cccc([C@@](C)(O)[C@@H](C)CC(C)C)c1	2036375534	PYNCNOABHWDIGL-YOEHRIQHSA-N	248.410	4.529	0	10	BJAE	
CCC1(C[C@]2(N)CCCCC23CCCC3)CCC1	2037103339	ACHHFXWADHSZRD-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)C1CCC(C)CC1	2037105914	VGBWJDZEQLLJLI-BJDYSFLHSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@H]2C=CCCC2)CC1	2037305594	TWQPDOZRKKWJGJ-IXDOHACOSA-N	249.442	4.811	0	10	BJAE	
Cc1cccc([C@H](N)[C@@H]2CCC[C@@H](C)CC2)c1C	2039369335	IOSKPQKVZMZABG-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
CCC(C)(C)CC(=O)C1CC2(C1)CC1(CCC1)C2	2039424750	USYIPKGWCVAFRT-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC(CCC)NC1CC2(C1)CC1(CCC1)C2	2039459327	ARPHDRGDSMJNJO-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC[C@](N)(C[C@H]1C=CCCCC1)C1CCCCC1	2040655014	YZFRSADZNBYZQG-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@]1(C)CC=CCC1)C1CCCCC1	2042018010	AKKWMRZALPNTPD-OIISXLGYSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC1(C)C)[C@H]1CC=CCC1	2042023394	AXXGIPHOEOMMLP-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(NC[C@H]2C=CCCCC2)CC1(C)C	2042333778	YFDIVXMZEUPYOL-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC1C[C@H]2CC=CC[C@@H]2C1	2042346422	ZWPRIEMVGURJIR-RBSFLKMASA-N	249.442	4.536	0	10	BJAE	
CC(C)(C)C1CC(Cn2ccc3ccccc32)C1	2043004666	MVOLTUUEFOTLCK-UHFFFAOYSA-N	241.378	4.714	0	10	BJAE	
CC[C@H](N[C@@H](C)CC1=CCCCC1)c1ccco1	2043189775	DLEFSXGXOJBCLX-ZFWWWQNUSA-N	247.382	4.599	0	10	BJAE	
Cc1ccccc1[C@@H](N)C[C@H]1CCC=CCCC1	2045306015	UZODFUIHMGHXBV-RDJZCZTQSA-N	243.394	4.521	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@H]1CCC=CCCC1	2045313013	UCCHLFWJDBFEFA-HNNXBMFYSA-N	246.394	4.973	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CCC(F)(F)C3)c12	2045457952	PIGJPAZHSYSNNB-CYBMUJFWSA-N	249.304	4.564	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCC2=CCCCC2)C1	2045556315	WFNLAPBARIGDLZ-BBRMVZONSA-N	246.394	4.829	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC23CCCC3)CCCCCC1	2047016852	RKGBEPWOUYIATB-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C1CCC(CN[C@@H]2C[C@H]3CCCCCC[C@@H]32)CC1	2047437734	NXTKQDTUFMAGAT-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1[C@H]2CCCCC[C@H]12)c1ccc(N)cc1	2048492339	WKDBHGZJMZTCQF-KCXAZCMYSA-N	243.394	4.589	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CC2)CC1(C)CCCC1	2049804500	NURLJFJFTQMNEH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](Nc1cnccc1C(C)C)C1CCC1	2053856256	KSXOAHZGGHUGCL-OAHLLOKOSA-N	246.398	4.586	0	10	BJAE	
CCc1ccc(CC)c(NCC2CC(CC)C2)c1	2056723422	NYHXRRCELKXHAD-UHFFFAOYSA-N	245.410	4.660	0	10	BJAE	
CC=CCCC[C@@]1(CNC2CC2)CCC[C@H](C)C1	2059254497	ZVGVZPNENURPLC-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(NC[C@@]23CCCC[C@H]2C3)C1	2059395931	SGWRYYURQMGQON-XGHPGWEVSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CC=C([C@]2(C(C)(C)C)CCCN2)CC1	2061090172	YRRKTQYRMYHMIO-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC1CCCC1)CC[C@@]12CCC[C@@H]1C2	2061625860	GQPMBGCGOUREJG-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C1CC(=C2CC2)C1	2061651417	XNXYDDYVNLNUSP-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
OCC1(CC2CC(=C3CCC3)C2)CCCCCC1	2061693532	IJKZZHSHBQTRJK-UHFFFAOYSA-N	248.410	4.600	0	10	BJAE	
C[C@H]1C[C@H]1CCCNc1cccc2ccccc12	2062653864	WGXVTVXMYBFBPU-DZGCQCFKSA-N	239.362	4.688	0	10	BJAE	
C[C@H](C(=O)CC1CC2(C1)CC(C)(C)C2)C1CCC1	2063211195	NHFOZCHJFHMMPC-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)NCc1cc(C)cc(C)c1	2065990432	NOTWOEIENFHRCT-QGZVFWFLSA-N	247.426	4.608	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](N[C@@H]2CCC3(CCCC3)C2)C1	2066627617	OMDBOVXSKKSMHZ-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCCC1(CC[C@@H](N)c2ccc(F)cc2)CCC1	2069342427	ONUKRXYTGNGGRW-OAHLLOKOSA-N	249.373	4.576	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@@H]2C2CC2)cc1	2071797865	JNNMXVNDBRWKSY-IAGOWNOFSA-N	243.394	4.630	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CC1(C(C)C)CCC1	2071947317	YVJYSTCZPNAWAB-HRCADAONSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](CC)CC1)c1ccoc1	2072804715	VOQSQNVNESIJGL-DZKIICNBSA-N	249.398	4.537	0	10	BJAE	
CCCCC[C@](N)(CC)c1ccccc1C(C)C	2073339709	IKNIVKLJKRFJFI-QGZVFWFLSA-N	247.426	4.954	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@]12CCCC[C@H]1C2	2074093729	HGIMGKIUUPFOIV-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CCCC1(C[C@@H](C[C@@H]2CCC23CCC3)NC)CC1	2074648064	FADKCARKXAHZHC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
c1ccc(C2CCC2)c(NC[C@@H]2CC23CCC3)c1	2077264490	SYHIKIHGMAIBBF-AWEZNQCLSA-N	241.378	4.556	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2C[C@@H]3CCCC[C@H]32)c1	2077264994	GXRZHBLXQJGZAB-YSVLISHTSA-N	241.378	4.555	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H]1C[C@H]1C1CCCCC1	2079434143	FDGXSGWKTIDWEQ-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CSc1cccc(-c2cc(Cl)cs2)c1	2080281590	WYKYAGYFBUZQKG-UHFFFAOYSA-N	240.780	4.790	0	10	BJAE	
Fc1cccc(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1	2081142535	YPOVAESCCYUUJO-VBNZEHGJSA-N	247.357	4.597	0	10	BJAE	
CCCC(C)(C)CNCc1cc(C)cc(C)c1C	2082915635	CSBHPWWVEIZVPO-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CCC[C@H]2C[C@@H]2C)c1	2082949511	WZFHJIOSYSDULJ-ZFWWWQNUSA-N	244.378	4.621	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)C[C@H]3CCC[C@H]2C3)CCC1	2086169351	VDNLBINIHANANC-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(-c2cc(C)c(Cl)c(C)c2)c1N	2212864683	WYLOUTHGJUYOHU-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCCCC(=O)CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213303974	SAEGENMCURGBEW-FICVDOATSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](C)[C@@H](CCCCCCC1CC1)NC	2213574403	SWLWQVBYSJJFIB-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)C1CCC(O)(CCCCC2CC2)CC1	2214563343	PSOLGDXRKMLMBN-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C1(CC)CC1	2214569130	LKRVPSCPWJRPLC-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)C2CCCCC2)C1	2214781623	YJNVQFBPWDJCME-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2CC[C@H]2C)CC1	2214947394	BJPOGKKAFPNVEI-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@@]1(N)CCC[C@@H](CC)CC1	2215256804	SDXBLHAIYJTCLA-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H](C)C(C)(C)C)CC1	2215820396	DGAZJWZSCIFEKA-BBRMVZONSA-N	236.399	4.764	0	10	BJAE	
CC[C@@](C)(CNC1CCC1)C[C@@H](C)C(C)(C)C	2217123745	AXVAWRYQZVRWCY-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@H]([C@H](C)[C@H](C)CC)C(C)(C)C	2217129324	KDSKVFZZNSUQQW-LXTVHRRPSA-N	241.463	4.719	0	10	BJAE	
CCc1cc(Cl)ccc1NC[C@@H]1CC12CCC2	2217241075	MVLPZOUFQXAHOK-LBPRGKRZSA-N	249.785	4.505	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218332204	NGDWUEZZHIKVBD-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(N)CCC(C3CC3)CC2)C1	2218896912	OGBMPNNCRDJVDN-HOBHPSKFSA-N	249.442	4.501	0	10	BJAE	
Fc1ccc(CCC=Cc2ccccc2)cc1F	2219077482	CYHXXKIJKFBSHB-UHFFFAOYSA-N	244.284	4.611	0	10	BJAE	
CC1=CC[C@](C)(CNCC2(C(C)C)CCC2)CC1	2221641706	XZBSUABRBRZLEO-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
C(CCCN[C@@H]1CC[C@@H]2C[C@H]2C1)CCCC1CC1	2223167532	NGEHAGNNPOLWDA-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
Cc1cscc1NCC[C@@H]1CCC[C@@H](C)C1	2242789851	FDVKSTXONNTFOC-YPMHNXCESA-N	237.412	4.685	0	10	BJAE	
Cc1cc(C)cc(CCC2=CCCCC2)c1	2243238367	RIMBNFDWRURKOB-UHFFFAOYSA-N	214.352	4.736	0	10	BJAE	
Cc1cccc(NC2CCC=CCC2)c1Cl	2244136199	LLWNIGCTQOQXPK-UHFFFAOYSA-N	235.758	4.559	0	10	BJAE	
CCCN[C@@H]([C@@H](CC)CCC)C(C)(C)CC	2244785090	VZJBRSZEOMLSBE-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@](N)(CCCC[C@@H]1C[C@H]1C)C1CCC1	2247161639	CMBVPJMVMIPULK-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCC[C@@H]1C[C@@H]1C)[C@H](C)CC	2247175206	IOVCTUVETXZOLH-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](CCCC[C@H]1C[C@@H]1C)NC	2247176171	NMMZKWYPPGCIHO-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2CCC2(C)C)C1	2247429974	AUCLZYWJCHIHMO-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1CC1(CN)CCCCCCC1	2247440996	NBRGAMMGQLLHSD-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CCCCCC[C@H](N)CC[C@@H]1CCCC12CC2	2247621929	LWDLMVRNINBBDI-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCCc1ccc(C(=O)[C@@H](C)[C@H](C)CC)cc1	2248167916	JUDSOSQIDMLRPW-OLZOCXBDSA-N	232.367	4.504	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1CCC[C@H]1C	2248813677	HERGDBVZVAHNPX-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC1CC(CC(=O)CCCCC[C@@H]2C[C@H]2C)C1	2248857747	ZLPZVMJICBXJAN-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(N)(CC[C@@H](C)CCCC(C)C)C1	2250470102	WKOIRDAYFRIDSF-FHERZECASA-N	239.447	4.747	0	10	BJAE	
CN[C@@H]1CCC[C@H]1CC[C@@H](C)CCCC(C)C	2250479827	YYNJTSNULSDORQ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(O)CC[C@H](C)C1	2250495362	HNVDLKCSIPWMRZ-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CC[C@@H](N)CC[C@H](C)CCCC(C)C	2250528642	NRDXNYOONAWQPD-HZPDHXFCSA-N	239.447	4.913	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@]12CCC[C@@H]1CC2	2251218593	UEAGEJMJYBJEOO-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CC2CC3(CCCC3)C2)CC1	2254121479	CPZABNPCEKNAOF-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)c1cc(CNC(C)C)cc(C(C)C)c1	2254714714	LIZXGPVDPZKDRJ-CQSZACIVSA-N	247.426	4.822	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)CC[C@H]1CCCC12CC2	2255254851	YSNSRUPOQFMIEF-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC[C@H]1C=CCCCC1	2257310495	GZJONXZJJHBPSN-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C1=C[C@H](Cc2cccc(-c3ccccc3)c2)CC1	2257564719	WJNHCOHLDDPVNT-HNNXBMFYSA-N	234.342	4.862	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)c1ccc(C)cc1C	2259455123	QXKMZVLEXNCXAS-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccccc1C1CCC1	2259479330	YAIODKKGSPPWME-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)[C@]12CCCC[C@H]1CC2	2260498929	BMMCYNOFILZSRY-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@]23CCCC[C@@H]2CC3)CC1	2260520559	LYGXGGXPAFXGRY-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CCCC(=O)CCc1c(C)c(C)c(C)c(C)c1C	2263187542	WVJKIKNRYGPIOW-UHFFFAOYSA-N	246.394	4.531	0	10	BJAE	
CCC(CC)CC[C@]1(C(C)C)CCCCCN1	2300703047	ANPAHFWWXKRAHH-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1(CCC)CC1	2300873243	XUNZGQUNVZOJID-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(=CC[C@H]1CCC[C@H](N)C1)CCCC(C)C	2300889441	VZWAUBSVJQVVPZ-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC(=CC[C@]1(O)CC[C@H](C)C1)CCCC(C)C	2300913035	AEMCRMNFZBLBNF-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CCC1(N)CC(=CC=C(C)CCCC(C)C)C1	2300928678	HXUXRUWGSDXCGX-UHFFFAOYSA-N	235.415	4.587	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)CC1CCCCCC1	2301134153	VAGKYVYDMCHJCL-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CC=CCCCNc1cc(F)ccc1C(C)C	2301909405	CEVOOLZGWYLXNO-UHFFFAOYSA-N	235.346	4.717	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)CCC1=CCCCC1	2301938678	OKBYSGKOAPLVLC-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@H]1CC[C@@H]1C(C)(C)C	2303361543	LKIROJLJJNFVIM-KKUMJFAQSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CC[C@H]1C(C)(C)C	2303479316	YOWOZLDRQGWQQA-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCc1nc([C@]23CCC[C@@H]2C3)cs1	2307692721	ILQSQWBBAZAWMP-ABAIWWIYSA-N	249.423	4.563	0	10	BJAE	
CCC[C@@H](CC)CN1CCC12CCCCCC2	2307749512	LFWMVDUYKADJRM-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCC[C@@H](CC)CC1	2307821656	DLVHQIIAJCLXAO-PMPSAXMXSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@H]1CNC(C)(C)C	2307826856	RGRJHBDYPRYEKT-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCC[C@@H]1C1CC1	2307833058	YKLRMBSXFKYESR-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CCC[C@H](C)CC1	2307892824	JYUYUUIGAVSNIP-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2313661426	WFYRQPOMVNSDBG-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@H](N)[C@@H](CC)CC(C)C)ccc1C	2314696422	DMYXHUGKTXKPHZ-DOTOQJQBSA-N	247.426	4.630	0	10	BJAE	
CC(=CCN[C@@H]1C=CCCCC1)CCCC(C)C	2316491843	QFZMQXSFHLYCGN-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317149908	YTHPTYYICVEGSO-LVQVYYBASA-N	249.442	4.523	0	10	BJAE	
NC(CCC1=CCCCC1)CCC1=CCCCC1	2317909992	DTLVURHZVFWEBK-UHFFFAOYSA-N	247.426	4.875	0	10	BJAE	
CN(CCCC1=CCCCC1)[C@H]1CCCC1(C)C	2318599594	YHHSVCPVRUJJES-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CC12CCC(CC1)CC2	2318931404	ZUDVCZGWHRURIQ-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)CCCC[C@@H]2C[C@@H]21	2319245495	FSPJTROPYZJXJQ-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCC1CC1)C[C@@H]1CC[C@@H]1C1CC1	2319491419	HTAYMUXDDMEZQM-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CCc1ccccc1C(=O)[C@H]1CC[C@H]1C(C)(C)C	2320213989	SSLLILZDMXXNCG-LSDHHAIUSA-N	244.378	4.504	0	10	BJAE	
CN[C@@H]1CCC[C@H](C[C@H]2CCC(C)=C(C)C2)[C@H]1C	2320388442	QHFUVKYUFJZMLV-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC3(CC3)C2)c1F	2327802161	NGNPDUJDSOZDIO-LBPRGKRZSA-N	247.357	4.694	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCc2ccccc2C1=O	2328153823	GCBPFJTZTXHODG-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1ccc(C2CC2)cc1	2328183494	MLIIDEGPNPKZFS-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H]1Nc2ccccc2C[C@H]1C	2328267329	ADMUVJINQNXSFY-JKIFEVAISA-N	245.410	4.876	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@H](C)c1ccccc1	2328267919	DJIFGQBISWGKBE-ZOBUZTSGSA-N	247.426	4.595	0	10	BJAE	
CCCC(CCC)Nc1cc(F)ccc1C	20561975	RLQKSSLZGSBILS-UHFFFAOYSA-N	223.335	4.515	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC[C@@H]1C1CCCCC1)C1CC1	35012406	RSVUXKDUQDUDIZ-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@H](C)C1CCCCC1	37220834	AERSRJUXXCVCKG-CABCVRRESA-N	245.410	4.614	0	10	BJAE	
CC[C@H](C)n1c(C2CC2)nc2cccc(Cl)c21	40407532	POYDYMUNXIOJBZ-VIFPVBQESA-N	248.757	4.538	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2csc(S)n2)cc1	71571058	OIQPDPKRAWSVAR-SECBINFHSA-N	249.404	4.612	0	10	BJAE	
CC[C@H](C)c1ccc(C2CCCC2)cc1	75841074	BJDGWKMFSBDXKH-LBPRGKRZSA-N	202.341	4.858	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(N)CCC(C)(C)CC1	79657477	DUIGZLCKQWVILK-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)CCC[C@H](NC)c1ccccc1	80424108	NCHWMKRWQYRQJJ-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](C)c1ccc(C)s1	82631255	SGAWATVMUONXHV-VXGBXAGGSA-N	239.428	4.532	0	10	BJAE	
CCC[C@H](C)CC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1N	85155967	SYCODYXBFUMBSF-XQLPTFJDSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](Nc2ccccc2F)CC1	86922635	HMBDIDOWANUKNC-KBPBESRZSA-N	249.373	4.843	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1ccc(C(C)(C)C)cc1	87176041	IIVWMLBCNIDUQF-BBRMVZONSA-N	248.410	4.844	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C1CCCCCC1	87948083	BYGOZHZGDQGUGV-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CN)c1cccc(C)c1	93125603	XYGWKENIDWPCNR-NVXWUHKLSA-N	247.426	4.644	0	10	BJAE	
O[C@@H](CC1CCCCC1)c1cccc(C2CC2)c1	94522797	JRFAXBMUCVNEKV-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1ccc(CC)cc1	109718607	AAALLJPRTIPWIV-RDJZCZTQSA-N	247.426	4.855	0	10	BJAE	
Cc1c(C)c(C)c([C@H](O)CC(C)(C)C)c(C)c1C	109784647	PJQYKEIJXQLGDL-OAHLLOKOSA-N	248.410	4.698	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)(C)C)C1CCC1	131212026	NQYZSACPPCATOS-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](N[C@@H]1CC[C@H](C)C1)c1ccccc1	131212473	YUPNPTJGNHRFKY-UAGQMJEPSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](CN)c1ccccc1	131843008	BJMRQVMWHNCMDI-DOTOQJQBSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)c1cc(C)cc(C)c1	132594918	FTPISUZCPPCZBT-LSDHHAIUSA-N	233.399	4.533	0	10	BJAE	
CCNC[C@H](CC(CC)CC)c1ccc(C)cc1	149150925	OADPLKOFZCONRV-KRWDZBQOSA-N	247.426	4.514	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCCC1	149542763	ZOXJDKDFAQXUTQ-RKTXRCNFSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)[C@@H](C)C2CC2)cc1	163452743	JBOOQNTVKODARP-GDZNZVCISA-N	245.410	4.507	0	10	BJAE	
C[C@H](NCC(C)(C)C)c1cc2ccccc2s1	169181755	DRXJZGMXDOJZLU-NSHDSACASA-N	247.407	4.598	0	10	BJAE	
Cc1ccc(Sc2ccccc2)cc1Cl	196209973	XJBMUXJXLWEFLA-UHFFFAOYSA-N	234.751	4.800	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccccc1	214630899	RJJQPZHIBPSGBC-PVAVHDDUSA-N	245.410	4.552	0	10	BJAE	
CCCCCC[C@@H](C)NCc1c(C)cccc1C	215380530	KZROSKKGRHMLKX-MRXNPFEDSA-N	247.426	4.752	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC[C@@H](C)[C@@H]1C	221690979	SNMXORDIHOSSAO-UGUYLWEFSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](O)C(CCC)CCC	229183865	DAIQJNXTSVTGOF-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
CCCCC[C@H](NCC)C1C[C@H](C)C[C@@H](C)C1	229396741	OUKZQTPKAFOKPY-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CCC1([C@@H](NC)C2=CCCCCCC2)CCCC1	232896216	LWPKZHMBWIUIFW-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H](C)C1(CNC(C)(C)C)CCCCC1	233327387	LSYKIJUNEADUJO-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H](c2cccc3c2CCCN3)C1	234102360	RAUDYQNPONNSSR-KBPBESRZSA-N	243.394	4.729	0	10	BJAE	
Cc1ccc2[nH]cc(C3(C)CCCCC3)c2c1	235988988	VFLYFAHNICDSEQ-UHFFFAOYSA-N	227.351	4.698	0	10	BJAE	
CNc1cccc(-c2csc3ccccc23)c1	259061569	BDHYELDXSJCPFU-UHFFFAOYSA-N	239.343	4.610	0	10	BJAE	
CCN[C@@H](CCCCCC(C)(C)C)C(C)C	300861604	MCXYXLSPOHUHEW-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc(NC2CCCCCC2)c1Cl	300907956	RHLBKRQBEIKGNT-UHFFFAOYSA-N	237.774	4.783	0	10	BJAE	
C[C@@H](CCC1CCCCC1)[C@H](O)c1ccccc1	302299405	ZIIXWAHSANKULV-YOEHRIQHSA-N	246.394	4.717	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)C1CCC(C)CC1	302324292	HGULYXUVBSEWOU-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H](C)C(C)(C)C)cc1	302417396	JKCGERNNVFTKEY-SWLSCSKDSA-N	234.383	4.526	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)CCC(C)(C)C)cc1	302482457	HSNXZLHPLBBUDE-GJZGRUSLSA-N	247.426	4.860	0	10	BJAE	
CC(C)C(C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)C(C)C	304347325	GAKTZCCMURENBL-MGPQQGTHSA-N	238.415	4.556	0	10	BJAE	
C[C@H]1C[C@H](N[C@H](C)CCC(C)(C)C)CC[C@H]1C	306045138	OAXFIKBKAWEDCF-LXTVHRRPSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H]([C@@H]2C=CCCCCC2)C1	310067460	HJJWHSNFKIJAOY-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@](C)(O)c1ccccc1C(C)C	310215314	VTRLJFBAFHBMST-INIZCTEOSA-N	234.383	4.598	0	10	BJAE	
Cc1cccc(N[C@@H](C)CCC(C)(C)C)c1C	310317487	XVNPQEMRTYCVDN-ZDUSSCGKSA-N	233.399	4.930	0	10	BJAE	
Cc1ccccc1NC[C@@H](C)C1CCCCC1	310467789	HKVFPAWHSLLITL-CQSZACIVSA-N	231.383	4.623	0	10	BJAE	
C/C(=C/[C@H](C)C1CCCCC1)C[C@@H]1CCCCN1	310758041	AGVAYBBNPWKHQE-NPCRWQHWSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cccc2ccsc12	319674811	IPCOVYIULZMAKZ-QWRGUYRKSA-N	246.375	4.766	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H]1C[C@@H](C)c2ccccc2N1	320118801	ITRLYNNKFJNKLD-ZWUHOBOKSA-N	231.383	4.657	0	10	BJAE	
CC[C@@H](Nc1ccc(C(C)(C)C)cc1)C1CCC1	322478078	RVYZHSOCTQUBPJ-MRXNPFEDSA-N	245.410	4.975	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC/C=C\c1ccccc1	324286612	OCYRQJNULLIVJW-RLSVRPBNSA-N	245.410	4.634	0	10	BJAE	
CCCN[C@@H]([C@H]1CC[C@H](CC)CC1)[C@H](C)CC	328357487	RWPLVDQYVCIWEL-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@H](O)[C@H]2CC[C@H](CC)CC2)CCC1	328492442	YGOMNGDOORWJAW-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)CCCC(C)(C)C)CC1	383030268	AVCCWSOLLQERRC-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCC1(C/C(C)=C\CCNCC(C)C)CCC1	383519331	NCGAPXLAIGLREZ-NVNXTCNLSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(N[C@H](C)CC(C)(C)C)c(Cl)c1	384582504	KWASNPDAWNCCLP-LLVKDONJSA-N	239.790	4.885	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H](C)c1ccccc1	385093297	GMTCYVXPXDQZOB-PBHICJAKSA-N	247.426	4.724	0	10	BJAE	
CCN[C@@H](C[C@H](C)c1ccccc1)C(CC)CC	385102768	HYDAVMGOFRMWGV-YOEHRIQHSA-N	247.426	4.595	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C[C@H]1CCC[C@@H](C)C1	386856540	UCOZMKKXKIZDKM-UHOFOFEASA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNc2ccsc2Cl)C1	387201818	HTPMKRZTVPCOFC-NXEZZACHSA-N	243.803	4.640	0	10	BJAE	
C[C@H]1CCC[C@H](CNc2ccsc2Cl)C1	387201821	HTPMKRZTVPCOFC-UWVGGRQHSA-N	243.803	4.640	0	10	BJAE	
CCc1ccc([C@H](C)Nc2cscc2C)cc1	387267469	CXAWXDFBLXRZHH-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CCCC[C@](C)(O)CC1CCC(C)(C)CC1	394546371	XUJFZDIXWHNAFY-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2NCC23CCCCCC3)C1	394640014	SVEOBGXDUJUHNY-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCCC12CCC2	394739604	LQWMBFPDSRVRPO-CQSZACIVSA-N	247.407	4.543	0	10	BJAE	
C[C@@H](C[C@@H](N)C[C@@H](C)c1ccccc1)C(C)(C)C	395033357	LHMLHYMKKGGSIW-YCPHGPKFSA-N	247.426	4.580	0	10	BJAE	
CCc1cc(C(F)(F)F)c2cc(F)sc2c1	396305575	WHVDHBZNBTUERX-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCC[C@H](N[C@H](C)C[C@H](C)CC)[C@@H]1CC1(C)C	397643679	ZBEHOBMYJRBSNE-KBXIAJHMSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNC1CCCCCC1	401359467	HMDYNNJNKWKOPI-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)[C@@H](C)CCC3	527395881	FFWXEQNZSHZERL-NSHDSACASA-N	227.351	4.731	0	10	BJAE	
CCCC[C@@H](NCC)c1cccc(C(C)C)c1	688920083	IALBRHRHIQUIHW-MRXNPFEDSA-N	233.399	4.651	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)C(C)(C)C1CCC1	692141453	YJTKRJBBUQOVEG-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@H](C)C1CCC1	692773292	FZGSGXUAZGKFTI-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H](C)CC1CCCC1	695063329	UQSDTOHUIYJIMQ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)c1csc(C)c1	695150951	YGIWEYCHQNDQEM-VXGBXAGGSA-N	239.428	4.532	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H]2CCCC3(CC3)C2)C1	695689202	KQUDESWOVFCUME-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CCC)C1(C(C)C)CC1	697559254	QBWRVYCSGMHUSS-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCNCC1(CC(C)C)CCCC1	697747143	BPMWCBJPPCIOTJ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCC=C(C)C	697848706	AMGPKVSWVVBUPY-CQSZACIVSA-N	224.388	4.764	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1)C(C)(CC)CC	701151999	RUASLZRBENGYSX-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
C[C@@H]1C[C@@]1(CCCC(C)(C)C)CNC(C)(C)C	703350162	KRKCBCVXUIDWFB-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCCOc1ccccc1NCCCCC(C)C	703978076	AMMIPWVUYUDEBM-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C(C1CCC1)C1CCC1	704991102	UEATYRSWQPAQLP-IUODEOHRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1/C=C(/CNC(C)(C)C)C1CCCCC1	705264344	FCIJJFDIRSVNSI-KIWKMNIMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@H](C)CC(C)(C)C	708299249	VAJIWXHZMJPMAJ-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@@H](C)CC(C)(C)C	708311583	FRNXYDGKTPUJMU-LJISPDSOSA-N	239.447	4.602	0	10	BJAE	
Cc1ccccc1[C@](C)(O)C[C@@H](C)CC(C)(C)C	709072218	YUHGXOUMGYOBAC-SUMWQHHRSA-N	248.410	4.665	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)CC(C)(C)C)CC(C)C	709110330	YNOABPQERFPPCQ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@@H](C)C1CCCCC1	709224019	YUSZIHLVKYSQHO-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(O)CCCC(C)(C)C	713032114	PAWGWMMHCQUNJX-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CC(C)(C)C(C)C	713143565	WSMIFDGOCKVIQR-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)(C)C(C)C)[C@H](C)C(C)C	713210380	DFIUVABCWVJWGL-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C)(C)CCC[C@H](O)c1ccccc1	713217084	JMPVPSQEHZINNX-HNNXBMFYSA-N	234.383	4.573	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)CC(C)(C)C(C)C	713271338	GHHDKMZMAICUDZ-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C/CCNc1cccc(Cl)c1Cl	713722480	UQWGPHLOORVBIG-ONEGZZNKSA-N	242.149	4.538	0	10	BJAE	
CC/C=C/C[C@H](CC)c1cc(F)ccc1F	714532000	NTJUWARPGGBNRM-QRGHLMKCSA-N	224.294	4.815	0	10	BJAE	
C/C=C/[C@@H](C)Cc1ccc(Cl)cc1Cl	714540227	PGSADRMONGEZPH-CDAZIORVSA-N	229.150	4.748	0	10	BJAE	
CC(C)=C(C)CCC(=O)C(C)(C)C1CCC1	718773385	OIHNJNONFIFUSX-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCNC[C@@]1(C[C@@H](C)CC)CCC=CCCC1	719090082	QRYQXJLHZGEATP-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC1CCC(C)(C)CC1	721677952	IPORSVKJJCFLCB-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CC(C)(C)N[C@H]1CCCC2(CC2)C1	723601239	YRDMUDFXULUPTK-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1C[C@H]1CC(C)(C)C	1206567301	AKLJNVNMSOCHHZ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCCCN1C[C@H](C)CC(C)(C)C	1653382379	UIBDUIBUKOUOJQ-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
Cc1ccc(Cl)cc1NCC[C@@]12CCC[C@@H]1C2	1908416644	HQAIVTZPCQTGIG-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
Cc1scc(C(=O)CC[C@@]23CCC[C@@H]2C3)c1C	1908431412	KAACEMDJNGGMPI-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(O)CCCCCC1(C)C	1908556745	SCXIJSPGXJPNOK-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(=CCCNCC(C)C)CC1(C)CCCC1	1911534735	JILQINWRPOAZFY-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCCCCCCC[C@H]1N	1913402090	CIMIZWMARJSLET-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCC2(CCCC2)C1	1916432204	YSNJBUTXWLMJTI-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H]1CCCC(F)(F)C1	1919538940	QMKWQVWWGWQUSZ-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CC(C)CCCCCCNCC[C@H]1CC1(C)C	1921556803	BROFZQWKRGBULX-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@H]1CCCC12CCC2	1921623697	FGHGYWORYMLOOS-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H](C)C1CCCC1	1924123650	DQQPDUZJUWHYAR-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CC(C)(CC)C1	1939107746	IZTRARPGNANFEK-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC(C)CC[C@H](C)NCC(C)(C)C1CCCC1	1940761689	BVSBCRJSEBROQD-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]([C@H](CC(C)C)C(C)C)C(C)(C)CC	1941263360	AZYWRRYIJXPRDA-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
O=C(CCCCCC1CC1)CC1=CCCCC1	1941586723	LZHLWQCTSIRXLT-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)CC1(C)CC1	1941595970	KOBOGKSXAPPBIT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(O)CCCCCC1(C)C	1942651817	ATDGUXBMHWHLGB-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)CCNc1snc2ccccc12	1942818815	LVUOLTMPKBQWLA-NSHDSACASA-N	248.395	4.535	0	10	BJAE	
CCC(C)(C)CC(=O)CC1C[C@H](C)C[C@@H](C)C1	1944206355	XVTCVBGNVRHQSX-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
C[C@H](Nc1ccc(C2(C)CC2)cc1)C(C)(C)C	1944597604	BQGPFQJZCHQGPS-LBPRGKRZSA-N	231.383	4.585	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C[C@H]1CC1(C)C	1944740559	DHJZGKWIPZRZPE-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@H]1CCC[C@@H]1C	1944842922	NVKJUWKIDZJIPP-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1CCC(C)(C)C1	1945591818	KUMZEGYIQAHNHO-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC2(CCCC2)C1)C(C)C	1946456510	YIZAQMVTNFCIAD-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CC[C@@H](C)[C@H]1C(C)C	1947509194	CTEGERIXEWWQDT-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(O)CCCCCCC2)C1	1947546992	OGFNIGWMXYQBPR-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CCCCCCC1CC1)NCC	1948427886	CRMBHUKSFNNYKL-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CC(C)CCC[C@]1(O)C[C@@H]2CCCC[C@@]2(C)C1	1948596457	PNWZHCXBAFBZHZ-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1CCCC[C@H]1CC	1948864667	PLAKMOCXULUHCE-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC1(C[C@@]2(N)CCC[C@@H](C(C)C)C2)CCC1	1948980991	IBQMNTCDUYQNAA-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CCC1=CCCCC1	1949041882	ULSMIWVLKNOIGV-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C1CC1)C(C)C	1949825239	KKWNCAPNSQLSOJ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1C(C)=CCC[C@@H]1C	1963238536	UBCIFRKVVJOSEO-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
C[C@@]12CCC[C@@H]1N(CC1CCCCCC1)CCC2	1966618823	YFZPWQWMLLVZMI-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCC[C@@H](C)C2)cc1C	1968254264	DMTUJOCCEIKKBS-CJNGLKHVSA-N	245.410	4.932	0	10	BJAE	
CC1(C)CC[C@@H](CNc2ccccc2Cl)C1	1968255740	BYLORIHGTFBKPP-LLVKDONJSA-N	237.774	4.578	0	10	BJAE	
CC1(CN2CCC[C@@H]2C2CCCC2)CCCCC1	1968959343	CFUJWWRNFQQPRF-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1F)C1CCCCC1	1969469606	COTVWBVEFXKDBK-CQSZACIVSA-N	249.373	4.905	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H]2CCCCC23CC3)C1	1972730395	XFYIJTVRORZAKX-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCCC23CCC3)[C@@H]1C	1972828903	GJYUZPKCPSOSQV-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)CN[C@@H](C)c1ccc(C)cc1C	1973315412	HPROBWNQHZQCAD-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CCCCCCNc1cc(F)c(F)cc1Cl	1980288485	DJBQRIDWLBYWOA-UHFFFAOYSA-N	247.716	4.610	0	10	BJAE	
CC=CCCC[C@@H](C[C@H](C)CC)NCCC	1984615405	CWMFSXKEIKTILF-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](CC(C)(C)C)NCCC	1984640340	QGVWJQPCSNBRGA-OWNNVSBGSA-N	225.420	4.537	0	10	BJAE	
C1CC(=C2CC(CC3CC4(CCC4)C3)C2)C1	1985532440	JBNNLDXSIDRPCY-UHFFFAOYSA-N	216.368	4.847	0	10	BJAE	
CC(C)Cc1coc2c1ccc1sccc12	1995461144	HZZRSGAXWAVZQL-UHFFFAOYSA-N	230.332	4.846	0	10	BJAE	
CC(C)C[C@H](C)CN(C)[C@H]1CCCCC[C@@H]1C	1995742736	AAINUVXQTWMJKM-JYJNAYRXSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](Nc1ccccc1SC1CC1)C(C)C	1996549837	RXJYDIUKBDNBRF-ZDUSSCGKSA-N	249.423	4.788	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(C)CC(C)(C)CC)CC1	1997208662	QBAFHXGRRDUTLK-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@]1(C)CC=CCC1	1997584368	SQYHPEYGSYINRX-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@@H](NCC)C1CC(C(C)(C)C)C1	1998240567	OCBLVGARTFBDQN-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)CCCC2CC2)C1	2000213386	IHRPLESIUVXZEX-NHAGDIPZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@@H]1C=CCCC1	2000509312	LUQLPQIORNFYPV-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCCCN(CC(C)(C)C(C)(F)F)C(C)C	2000903663	SCCSJWICJMMVQG-UHFFFAOYSA-N	249.389	4.568	0	10	BJAE	
CC(C)[C@@H](C)[C@@]1(N)CCCCC12CCCCC2	2001560638	FUFQPXRRHBAXGK-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H](C(F)F)C(C)(C)C	2002434257	FRFGREQOQQVGEV-LBPRGKRZSA-N	248.357	4.699	0	10	BJAE	
N[C@H]1CCCCCC[C@@H]1CCC1CCCCC1	2003097199	DSBARNBWQMCGEL-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
C[C@H](CCC1(O)CCCCCCCC1)C(F)F	2003111842	PGTHOSVNABEUNR-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
Cc1cccc([C@H](O)CCCCC(C)(C)C)c1	2003624707	AUMXZKFRMJLXBJ-OAHLLOKOSA-N	234.383	4.635	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)c1cccs1	2003681357	QRNZBZHAOSUAEX-CQSZACIVSA-N	249.423	4.679	0	10	BJAE	
CCC1(C)CCC(NC2CCC(C)CC2)CC1	2004341341	JIVPIXTVPXUZKU-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCCCC12CC2	2005532201	UPGZETDIHYLXHH-CYBMUJFWSA-N	249.785	4.783	0	10	BJAE	
C/C=C/C[C@]1(CNCCC)CCCC(C)(C)C1	2008071149	AYTMLLPDDPATFA-YERXGYGTSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C1(CC)CCC1	2009552910	UYQFAXUADQYTSF-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC=CCCCC(=O)c1ccc2sccc2c1	2009566373	CYCLZLGCUYRHPR-UHFFFAOYSA-N	244.359	4.830	0	10	BJAE	
CC(C)CCCCC[C@H](N)C[C@]12CCC[C@H]1C2	2011019881	ODXXKOYMVZJGAK-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011982515	KPPCYEWKGCBAJA-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCC1(CN[C@@H](C)C2(C)CCCC2)CCCC1	2014339347	LSBKJFPOWVACHN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CC[C@]1(CNC(C)(C)C)CCC1(C)C	2014845735	IAYGPGGGFJFSNV-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(CC(=O)C1CCCCCC1)C(C)C	2015379311	OQSPTFVSOWESAX-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCC1(CC(=O)CC2CCCCC2)CCC1	2015585068	XBULSSWCBDZFRE-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC1(C[C@H]2CCCCC[C@@H]2NC)CCC1	2015644301	LOYXCLRLLUTEOR-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)CC1(C(C)(F)F)CCC1	2016738723	UGSTYYDVDNLYCF-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)C(C)(C)CCF	2016764389	YYVVREZWXVRKTG-KBPBESRZSA-N	245.426	4.567	0	10	BJAE	
CC(C)C[C@@H](C)CN[C@@]1(C)CCCC(C)(C)C1	2017625413	YZLYHDWCUYWADI-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H]1CC[C@H](C)CC1)NC	2017723778	VIEIVFYYDYWYRJ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(C)CCCNC)CC1	2017733267	IMKVKCHTXQDYQD-WKILWMFISA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cc(F)c(C)cc1F	2017740878	IGDMLRAJVGDBRT-JTQLQIEISA-N	241.325	4.510	0	10	BJAE	
Cc1ccc([C@@H](C)N(C)[C@H]2C=CCCCC2)s1	2019532402	LMLXBVXAUQYSNL-KGLIPLIRSA-N	249.423	4.548	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1cccc(SCC)c1	2022490732	VLUKXVDBIHKYGE-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CCCCCC[C@@H]1CC(C)(C)CC[C@@H]1NCC	2024120662	YCHJZXJANQBQTQ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@](C)(CC)CC=Cc1ccccc1	2026999261	VIMNUURHRHQVJJ-QGZVFWFLSA-N	245.410	4.506	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@H]1CC=CCC1	2027518728	VFSYWTMXYYXHAT-WMLDXEAASA-N	244.378	4.590	0	10	BJAE	
CC1(C)C[C@@H]1CCCn1ccc2ccc(F)cc21	2027830895	DYJODHIXUJHJPR-ZDUSSCGKSA-N	245.341	4.607	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@H]3CC[C@@H]32)cc1	2027990935	KPEXMWFZARZLJN-UHOFOFEASA-N	243.394	4.585	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1ccccc1C1CC1	2028559708	JIQBUKRDOSGGHM-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
C[C@@H](C(=O)c1ccc(C2(C)CC2)cc1)C(C)(C)C	2028605748	PZAAMXJSGNSCME-LBPRGKRZSA-N	244.378	4.603	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)C1	2028786728	MNHOHAJHCQAICS-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CCCNCC1([C@H]2CCC2(C)C)CCC=CCC1	2033569111	FDFHJPUUEBMWOF-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C[C@@H]1C=CCC1	2035597828	HUCVGKSPYPXEEV-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@H](NCCCCC1CC1)C2	2036662460	WUPFUTCBUYCVDM-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C[C@@H](C)c1ccccc1	2037139110	XFUWZZPXDPENAK-GDBMZVCRSA-N	247.426	4.724	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc(C3(C)CCCCC3)[nH]c21	2038006759	HYOUFJNOSFCTIO-TXEJJXNPSA-N	246.398	4.632	0	10	BJAE	
CC(C)[C@@]1(CC2CC3(CCC3)C2)CCCCCN1	2038078212	IIPNHFRZUMXHSK-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@@](C)(O)c2ccccc2)CCCCC1	2038170860	KOBWYSPJCWHEAT-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](O)C1=CCCCCCC1	2039434693	LFGFMRGOUFZUKX-UAGQMJEPSA-N	248.410	4.620	0	10	BJAE	
CCCC(C)(C)[C@@H](N)Cc1ccccc1C(C)C	2040719276	LOHIVNCYNMONSR-INIZCTEOSA-N	247.426	4.506	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](C[C@@H]2C=CCC2)NC)CC1	2041381682	BCIPFLKWEIOLBE-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)[C@H]1CC=CCC1	2042018952	KLMYCKYEKXQGFT-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1C[C@H]1NC1CCC2(CCCCC2)CC1	2045666388	QOOAZQPNCPCGTH-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCCC(=O)[C@H](c1ccccc1)C(C)C	2045673788	NGESYOIVEFWPAY-KRWDZBQOSA-N	246.394	4.822	0	10	BJAE	
C[C@H]1CC[C@H](N(C)C2CC3(CCCCCC3)C2)C1	2046330337	VODJEZBSUCTYCB-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CC[C@@]1(C[C@@H]2CC23CCCCC3)CCCCCN1	2047017044	SNLWDAOOYCCBNO-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C1CC1	2047424439	LAQADWRBGBFEMB-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
O[C@@]1(C[C@H]2C=CCC2)CCCCC12CCCCC2	2047597277	UGVZHXZFEXTGEX-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC1[C@H]2CCCCC[C@H]12	2048443414	NUDCUOCMUGNETA-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@H]2C=CCCCC2)CC1	2049417154	FHLDKAYVGAPVGY-VXLLPVPCSA-N	249.442	4.680	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2CCCC3(CC3)C2)CCC1	2049864714	KDNBIMHOALAIRK-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1CC(CC2CC2)C1	2050219846	QPVAUHWACJHGMA-OFLPRAFFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H](C)[C@H](C)CC)c1ccc(C)cc1	2050431771	SMPUGGDIPPJNDZ-HLLBOEOZSA-N	247.426	4.718	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@H]2CCCCC23CCC3)C1	2053356342	DWLJKZHXDMRIAG-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C1CCC1)[C@@H]1CCCCC12CCC2	2053413459	XJPUBCVWAPUSFH-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](N)C2CC=CC2)CC1	2053664954	QBDAOPOWLNUTEQ-DJIMGWMZSA-N	249.442	4.667	0	10	BJAE	
CCC(=Cc1ccccc1C(C)C)CNC(C)C	2053922077	HYVBXBBFJKJDOJ-UHFFFAOYSA-N	245.410	4.601	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@@H](CCC2=CCCCC2)C1	2055018052	PTGISHLWZKHPSU-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
F[C@@H]1CCCC[C@@H]1Nc1cccc(C2CCC2)c1	2055146528	MXRMHAMIABDKKF-CVEARBPZSA-N	247.357	4.647	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CC2CC(C(C)C)C2)C1	2056665393	CGHSMKWZYVLLCR-TWRYWWQQSA-N	248.410	4.620	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2056783425	VPSWMQNUJVJOMD-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC2(CC1)CC(O)(C=C1CCCC1)C2	2056851657	CSJIMNXRPFGZLX-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H]1CCC[C@@H]1C(C)C	2056881430	DZHXKWLCQXUBFC-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CC[C@@H](C)[C@H](C)C2)CC1	2061121923	KPABLNBMRKSCIN-ANQUJSFKSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC[C@]23CCC[C@@H]2C3)CC1	2061604737	BHUDSAIGBAQXAJ-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)CC1CC(=C2CCC2)C1	2061736880	LOGMGTGCYSKHMM-GUYCJALGSA-N	249.442	4.681	0	10	BJAE	
CC=CCCCN[C@H]1CC[C@@H](C)c2ccccc21	2062365446	JJEMTQQIRNKINL-PBHICJAKSA-N	243.394	4.571	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063517439	UEUOBWLEHHNFIN-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CCCC1CC(C(=O)CC23CCC(CC2)CC3)C1	2065276516	FBOFMPSFQJLFQK-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)CC1CC(N)(C[C@H]2CCC3(CC3)C2)C1	2067988321	IHQXGHKVKVORKN-CBCUQQMYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCC(C)(C)C1=CCCC1)[C@@H]1CCC1(C)C	2068280411	KYAUHPFBXNPMQL-HIFRSBDPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068766982	GAIFRGUKQXGDIA-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C(C)=C(C)C)c1ccccc1C(C)(C)C	2072418507	TUANGGDYODIRFJ-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
Cc1cc(F)cc(C(=O)C[C@H]2CC[C@H](C)CC2)c1	2072874607	DFYLGDXWQZUUHA-AULYBMBSSA-N	248.341	4.533	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)CCC1=CCCCC1	2075146519	PWDDZPYSSRGFSH-HNNXBMFYSA-N	243.394	4.570	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1cccc(C)c1C	2077197389	RBIGPKGHHMFBNU-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CC1(C)CC[C@@H](Nc2ccccc2C2CCC2)C1	2077264615	WZDAJSXTNGVHGL-CQSZACIVSA-N	243.394	4.945	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2C[C@H]2C2CCC2)CC1	2079334857	YJNNGNGSYNBQAN-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CC1(CN[C@H]2C[C@@H]2C2CCCCC2)CCCCC1	2079526684	DXPZKQCDTUNNFB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2C[C@H]2C2CCCCCC2)CC1	2079820937	STFQGSKTAAGFNJ-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@@H]1C1CCCC1)C1CCCC1	2079851787	NCWBDEXCBSCREO-VBNZEHGJSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]1C1CCCCC1)[C@H]1CC=CCC1	2079864515	MOSREAWQSPFUIW-HRCADAONSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@H]1CC[C@H]1C	2214920535	UCZMTCDEPDZASX-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H]1C)CC(C)(C)CC	2214956729	UXXDIYHRPYSOSP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@](C)(O)C1(C)CCCCC1	2215238535	WVMQSDTVCXHAHH-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@]12CCC[C@@H]1C2	2218725268	JFLAKPTWARLTAO-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@@H](N)CC2(C)CC(C)(C)C2)c(C)c1	2221023178	ODMZDXWPVRYVOW-HNNXBMFYSA-N	245.410	4.520	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2C[C@H](C)CC[C@@H]2C)CC1	2221643332	NBXGKNWZVJUASQ-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(CN[C@H]2CC=C(C)CC2)CC1	2221667628	MARDBVNXDMIMJC-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](c1c(C)cccc1C)[C@H](C)CC(C)(C)C	2222009562	SEVVSDDKYNPMIX-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@]12CCC[C@@H]1C2	2223116324	FFDKWGFNAPQSHK-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC=C[C@]1(N)CCCCCCCC1CC1	2223125079	PTCASFVWFIUDHS-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCCC[C@]1(CNC1CCC1)C1CCC1	2223564549	IHGWIBAPCNIRHU-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC(C)C)c1ccc(C)cc1	2223598551	PSDAYGPGXKBACT-DOTOQJQBSA-N	247.426	4.513	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)[C@H](C)CCC(C)C)cc1	2223969933	ZNKHPGAVBMMADY-HUUCEWRRSA-N	246.394	4.740	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)c1cccc2ccoc12	2224181557	QHSZSOWKNWRQAB-DOMZBBRYSA-N	245.366	4.520	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H](C)CCC)s1	2242605409	WXRMGLPFMCQPET-LLVKDONJSA-N	238.396	4.710	0	10	BJAE	
CCCC[C@H](CC)CSCC(=O)CC(C)C	2246089214	DVALAIVBDCMZJJ-ZDUSSCGKSA-N	244.444	4.551	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1CCCCC12CC2	2246615588	WFQGJJTVCGUEPT-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(O)CCCC[C@H]2C)C1	2246691471	IDDYQUVYXXDAMA-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CC(=O)C[C@@H]1CCC1(C)C)C(C)(C)C	2247397299	GIQVZXSPATXUGT-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)CC(C)(C)F	2250482700	VZXKGTKRRKROMN-CYBMUJFWSA-N	244.394	4.936	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(O)CC1CC1	2250496968	XQDLSDUYVNBINB-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(=CC[C@H](C)CCCC(C)C)[C@@]1(C)CCN1	2250516950	MOFIJKSTODCIGN-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCNCC[C@H](C)CCCC(C)C	2250526527	FBPCZLXVTXXIMF-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)C[C@@H]1C[C@H]1C	2250528303	MNCMPVHHVFSZSY-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@@H](N)C1CC(CC(C)(C)C)C1	2251540169	YSCXHBATAILICY-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(O)CC(C)(C)CCC1(C)C	2251679325	SBAKSIMKGOOYLX-XJKSGUPXSA-N	240.431	4.636	0	10	BJAE	
Cc1cccc2c1N[C@H](CC[C@@H]1CC1(C)C)CC2	2253869586	JHBRJXJGFLYGIZ-CABCVRRESA-N	243.394	4.548	0	10	BJAE	
Cc1cccc2c1N[C@@H]([C@@H](C)CCC(C)C)CC2	2253871987	SRPXUPRUDDJHTJ-XJKSGUPXSA-N	245.410	4.794	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CC2CC3(CCCC3)C2)C1	2254120206	PHNHOPNCAQOJGT-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CN(CC1=CCCCC1)C1CC2(CCCCC2)C1	2255207446	KAURPERLLRGUKM-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CCCC1(CNCC[C@H]2CCCC23CC3)CCC1	2255226322	VTKZVULFJBIYGB-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
C[C@H](NC1CCCCCCCC1)[C@@H]1CC12CCC2	2256439686	NYQSYYNDRVVWJF-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1C[C@H]1c1ccccc1	2259445225	ADYQKVMNCXMHHO-IMJJTQAJSA-N	244.378	4.576	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@]12CCC[C@@H]1CC2	2260492287	QMJVJRPJVAYKEC-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)[C@]23CCCC[C@@H]2CC3)C1	2260504758	FOPXHNQJTJVARH-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1NC[C@@]12CCC[C@H]1CC2	2260574327	MJYFHUHGXNPHQO-YOEHRIQHSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C[C@]12CCC[C@H]1CC2	2260584860	XKHXDSRYTOPPBH-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCCNC[C@]23CCCC[C@@H]2CC3)C1	2260618331	IRNFFBXSDMUDBF-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)C[C@]23CCC[C@@H]2C3)C1	2261197441	ZANLYYVREBFLTP-YJJGSOMYSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)[C@@H]2CC23CCC3)C1	2261263816	KIMLHSUKGYONRD-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C[C@@H]2C2CCCCC2)C1=O	2261436547	RCSVFXRQSIBMLW-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2	2298606751	GUERZPZOMWJWMC-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H]1CCCCCCC[C@H]1O	2298916730	OSBULHYWXJAUFU-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@H](C)CC1CCC1	2298936480	QKRWIHJRNSWELC-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@H]1CC12CCCC2	2300472006	NCKSNMLKTYGSHC-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC(=O)C1(C)C(C)(C)C1(C)C	2300683522	KNPJBUFUGGNNCE-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H]1CCN1CC=C(C)CCCC(C)C	2300879877	JAGXJCSGCZYHMB-MRXNPFEDSA-N	237.431	4.633	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CC=C(C)CC)NC	2300902589	WCSCEJJJOQWTOF-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC[C@H](C)[C@@H](N)CCC=C(C)CCCC(C)C	2300917032	VDZJMFLGJQLMMI-HOTGVXAUSA-N	239.447	4.913	0	10	BJAE	
CC1(C)CCC[C@H]1[C@H](N)CC1CCCCCC1	2301145858	SNMKKKRKUTWLOC-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](NCCC)C1[C@@H](C)C[C@@H]1C	2301162153	YMIVDSHCWQMRJE-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
O=C(CC1CCC1)c1cc(C2CC2)ccc1Cl	2301338776	MOCPHAXBXABEBL-UHFFFAOYSA-N	248.753	4.590	0	10	BJAE	
Cc1sccc1[C@H](N)CCCC1=CCCCC1	2302349575	RDWZWVPODVCWDL-OAHLLOKOSA-N	249.423	4.727	0	10	BJAE	
Cc1cc([C@@H](N)CCCC2=CCCCC2)cs1	2302349576	RDZLNCWAQRUROT-HNNXBMFYSA-N	249.423	4.727	0	10	BJAE	
CCCC1([C@H](N)CCCC2=CCCCC2)CC1	2302361623	PEBGZRIARYENOK-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](O)C2CCCCCC2)C1	2302892928	QKRLAIMZGZOLAG-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)CC[C@H]1CCC(C)(C)C1	2304418021	KWEFCGUUZVEXMA-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)CC1CCCCC1	2307832748	WDSZMJIQEMNJSN-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@H](C)C1CC1	2307905735	YZIHXXJBVFWDFG-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CCCC12CCC2	2307907096	BAKHQXCJUQNXAU-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O	2307908837	RLLPZOXSJRFQDW-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CC=CCCC[C@@H](C[C@@H]1C[C@H]1C1CC1)NCCC	2310192269	VMQOFVFHOQCYTR-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1C[C@H]1C)CC1=CCCCC1	2310428206	GBYKTMBFZIHRKK-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2311609122	MGGFKYYIEPRVEV-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@]1(N)C[C@H](C)CCC1=C(C)C	2311611371	UZPCBMRXCOCVPD-AIANPOQGSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313187986	DLNIIBRQVTUGAX-ZOFXXKQRSA-N	249.442	4.514	0	10	BJAE	
CCc1cc([C@H](O)C(C)(C)C(C)(C)C)ccc1C	2314694121	IFJMUWYTGIGCKD-HNNXBMFYSA-N	248.410	4.663	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1ccc(F)cc1C	2316504714	XSADNHQVTAONKI-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
C1CCCC(C[C@@H]2CC[C@H]3CCCN[C@@H]3C2)CC1	2317002998	SJISBWSUQCRFGJ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CCCC1CCC1	2317557575	BWNWEUWGEWIDKB-UHFFFAOYSA-N	245.341	4.669	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)[C@H]1CC(C)(C)[C@H]1C	2318256413	WHVUJWGEHHTSFV-GZIXRCOHSA-N	249.442	4.523	0	10	BJAE	
OC[C@@]1(CCCC2=CCCCC2)CC12CCCC2	2318544185	WFHBOPYGLCFJRF-QGZVFWFLSA-N	248.410	4.600	0	10	BJAE	
CCc1ccccc1NCCCC1=CCCCC1	2318550468	GYTCZSBTCAKASI-UHFFFAOYSA-N	243.394	4.942	0	10	BJAE	
CC(C)c1cccc([C@H](O)CCC[C@@H]2C[C@H]2C)c1	2318927566	JAERIYJCIAJIHI-FRFSOERESA-N	246.394	4.670	0	10	BJAE	
CC(C)(C(=O)CC[C@@H]1CC[C@@H]1C1CC1)C1CCC1	2319699480	JADSKEXJHACUAQ-DZGCQCFKSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CC[C@H]2C2CC2)cc1C	2319736507	FQNWWDHCBPQVIK-RDJZCZTQSA-N	243.394	4.542	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC[C@H]1CC[C@H]1C1CC1	2319750560	SIYCBPQZJVIWDB-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC(C)=C(C)C2)CC[C@@H](C)C1	2320326596	GNFIKJULGSOOHO-KBRIMQKVSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H]2CC(C)(C)CCC2=O)CC1	2320347106	HXTFOLRJRNNPDD-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
CN[C@@H]1CCC[C@H](C[C@@H]2CCC(C)=C(C)C2)[C@H]1C	2320388440	QHFUVKYUFJZMLV-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@H](N(C)C[C@@H]2CCC(C)=C(C)C2)C1	2320390934	ORUXMMAHKWAGJR-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)c1cccc(C(C)C)c1	2320582912	WTPIMFDQHWYNBK-PBHICJAKSA-N	248.410	4.916	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@H](CC2CC2)C2CC2)CC1	2320810090	HGQAQAJOEXYKPG-DAXOMENPSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(F)cc1NCC[C@H]1CCC(C)(C)C1	2321612888	GKSWIIQTQMJABU-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CNC2CC2)C=CCCC1	2328301925	MGTDYEKBXHTYET-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(Nc2ccc(C)cc2F)CC1	20371260	SMGYSWZFAFWVME-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CCCc1ccc(NC2CCCCCC2)cc1	20547622	JBUMYNUWEGQAKF-UHFFFAOYSA-N	231.383	4.774	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	34995610	XUXVYOVPLUKOSX-SIRPWMCASA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCC[C@H](C)C2)c(C)c1	37254101	FVZYLHBUNNBNRB-VBNZEHGJSA-N	245.410	4.533	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1cc2ccccc2o1	62797969	CYLFQECXXHVPJG-AWEZNQCLSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@H](CC)CC1(O)CCC(C)CC1	71084798	XCUNZMYEJCQYLR-SLTAFYQDSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)c1cccs1	71085136	IWPCCRZVDDYQHY-QWHCGFSZSA-N	239.428	4.615	0	10	BJAE	
CCC[C@H](CC)NC(CC(C)C)CC(C)C	71106184	ISXJBDGAPIVEID-AWEZNQCLSA-N	227.436	4.616	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCCC(C)(C)C1	79971130	FJEPGLMFTSJLNF-ZDUSSCGKSA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cccc(C(C)C)c2)C1	80427967	LWEGPVJVHXAWOM-XJKSGUPXSA-N	231.383	4.801	0	10	BJAE	
CCC[C@@H]1CCC[C@H](Nc2ccc(F)cc2)CC1	86922606	NBONEAVGBLXZIH-HIFRSBDPSA-N	249.373	4.987	0	10	BJAE	
CCCc1ccccc1NC[C@H]1CCC[C@@H](C)C1	89606395	SXCKDDLGPZAHIU-CABCVRRESA-N	245.410	4.877	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(OC)c(C)c1	103988924	RVQIPFKFOIOAQX-TZMCWYRMSA-N	249.398	4.630	0	10	BJAE	
CCC(=O)CC[C@@H](CC)c1cccc(C)c1C	107480465	WSGNLVWYTLLFBI-CQSZACIVSA-N	232.367	4.556	0	10	BJAE	
CC(C)c1cccc(Nc2cccc(Cl)n2)c1	110547003	GXZXKAGSBKQQQH-UHFFFAOYSA-N	246.741	4.602	0	10	BJAE	
CCC1CCC([C@H](O)C[C@H](C)C(C)(C)C)CC1	125520032	IGZNUOGMLPANLI-VXGQWTEUSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)C1CCCC1	133181149	XNOXTCGLKBUBPN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cscc2C)s1	134327441	AYFVGHBRQFHNAH-JTQLQIEISA-N	237.393	4.600	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@H](C)C2CCC2)cc1	137719388	JWJYWXKQFKUQKI-KGLIPLIRSA-N	245.410	4.649	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CCCC[C@@H]1CC	166776365	QADFKZBEWYKHQS-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cc2sccc2s1	168048935	NTAULMQOSONGAZ-MRVPVSSYSA-N	238.377	4.582	0	10	BJAE	
CCCC(O)(CCC)C[C@@H](C)c1ccccc1	197304214	ULJXLALBDKTTCC-CQSZACIVSA-N	234.383	4.512	0	10	BJAE	
Cc1ccc(Cl)cc1OCC1CCCCC1	203537281	QIZUTGGVLOTNLU-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CC(F)(F)C1(c2ccccc2F)CCCCC1	220795975	AFRUSFPOCXKCID-UHFFFAOYSA-N	242.284	4.683	0	10	BJAE	
CCC[C@H](CC[C@H]1CC[C@@H](C)[C@@H](C)C1)NCC	221313463	DBOYIVZFGMZNQP-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)c2ccc(C)cc2C)C1	227389992	ODDHXPLOIKFULP-YQQAZPJKSA-N	245.410	4.520	0	10	BJAE	
CC/C(=C/[C@@H]1CCC[C@@H](C)C1)CNC(C)(C)C	227402428	VFDLSAZQCXUAIE-IZZNSQBKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@@H](O)c1ccccc1	229085280	HNNNJOGOZGWFST-YQQAZPJKSA-N	248.410	4.963	0	10	BJAE	
CCCC[C@H](CC)[C@H]1CNc2ccc(F)cc21	232993145	CBCJSTDIPDKXJV-SMDDNHRTSA-N	235.346	4.551	0	10	BJAE	
CCC[C@]1(C2=CCCCCCC2)CCCCCN1	233374606	AXGVRJZJLCEAFE-QGZVFWFLSA-N	249.442	4.970	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C2=CCCCCC2)CC1	233929555	PQVZBEBUMXONHK-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](c1c(C)cccc1C)C1CCCCCC1	234391435	YOMGRRRTQCMUPD-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc(OCc2ccc(C)cc2Cl)cc1	235886054	WNKZYBLTMIIIRY-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@H]1C[C@H]2CC[C@H]1C2	253039313	JMNZLVRBCZCCFQ-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
c1ccc([C@@H]2CCCN2)c(C2CCCCCC2)c1	258227389	FLDIJVGXWWAZEX-KRWDZBQOSA-N	243.394	4.549	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCC[C@@H](C)CC1	300562933	DAZSPEUMLYMQGO-FZKCQIBNSA-N	239.447	4.760	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1/C=C/CCCCC1	302279351	IRIICLJCTOTFCG-HZRUHFOJSA-N	249.785	4.949	0	10	BJAE	
CC(C)(C)CCC(=O)c1cccc(C2CCC2)c1	302374063	ZOJBMRNFGXYFCE-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@H](C)CC(C)C	302585197	SPSCQILQFRZOHT-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](CCC)C1CC1	304397045	ZWMQBFJEAAOCJQ-LSDHHAIUSA-N	225.420	4.514	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1sccc1Cl	308011923	KTAUOHCVDHFNDW-KOLCDFICSA-N	246.803	4.507	0	10	BJAE	
C[C@H](c1ccccc1)[C@@H](O)CCC1CCCCC1	310697855	WLWJKGMJLVVXDG-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1CCCC1)c1cccc(C)c1	310797697	SGVFJOREVPKCST-WMLDXEAASA-N	245.410	4.614	0	10	BJAE	
CC[C@H](Nc1ccc2ccccc2c1)[C@@H]1C[C@H]1C	322067498	RXYFSQCBTRGBGD-JLZZUVOBSA-N	239.362	4.686	0	10	BJAE	
CC(C)[C@@H](N[C@H](C)CCC(C)(C)C)C1CCC1	324615789	AGXFIJYHOVWEII-UKRRQHHQSA-N	239.447	4.616	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1CCC[C@H](C)C1	381105722	YUPHHNLZUAYMDU-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@@H](C)CNc1cccc2ccccc12	384466855	FMRPISNZHRKPFB-CQSZACIVSA-N	241.378	4.934	0	10	BJAE	
CC1(C)CCC(CNCCC2=CCCCC2)CC1	385250456	QMPUJFHWDQPHDQ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](c1cc(C)c(C)o1)C1(C)CCCC1	385418939	XKOANNVQPLVWOU-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
Cc1ccc(C)c(OC[C@H](C)C2CCCCC2)c1	386561387	VMQBPJJBBQDNRZ-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
CCCC1(CN[C@@H](C)CCC(C)(C)C)CCC1	391874184	KVYBUXBLIWVQAN-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](c1cc(C)cs1)[C@@H](C)CCC	393929785	MAJMXIPDOBZGRW-GXTWGEPZSA-N	239.428	4.533	0	10	BJAE	
CCc1cc2cc(S)c(C(F)F)cc2s1	396257880	WKVRKUVVMZWRHF-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1csc2c(C(F)F)c(S)ccc12	396261110	ZZQQZYPWGNIFEA-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCC[C@@H](Nc1cc(C)ccc1F)[C@@H]1CC1(C)C	397834433	XOIBEJOAJHDUMM-GXTWGEPZSA-N	249.373	4.761	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)[C@@H](C)C(C)(C)C)cc1	399218487	XSBFVJRDWVSHLW-ZENOOKHLSA-N	247.426	4.882	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	403697912	SVNUQACQDFLZLX-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@@H](O)c1coc2ccccc12)C(C)(C)C	404664587	YESXHFREZKAJKR-SMDDNHRTSA-N	246.350	4.539	0	10	BJAE	
C[C@H](O)c1ccc(-c2ccc3ccccc3c2)cc1	404773906	KLBHOBCRSSOTTQ-ZDUSSCGKSA-N	248.325	4.560	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1C[C@H](C)c2ccccc21	686308690	HAYYUFMBEJJQLB-XJKSGUPXSA-N	245.410	4.651	0	10	BJAE	
CCC1(CNc2cccc(C3CCC3)c2)CC1	687547002	NNIJNXPXRGIQIJ-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC(C)[C@H](NCCCC1CCC1)c1ccccc1	689013396	RVNMVGJZABITPQ-KRWDZBQOSA-N	245.410	4.554	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1Nc1ccccc1	691154479	HGJQQUQNFNMGFH-JKSUJKDBSA-N	231.383	4.703	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)C(F)(F)CC	692364773	PQCPIGMXNDVJQF-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@@H](C)C2CCC2)cc1	692696537	UBJWGSYYSNJTHE-STQMWFEESA-N	244.378	4.819	0	10	BJAE	
O[C@H](C1=CCCCCCC1)C1CCC2(CC1)CC2	695644175	SINDSPWSIWSZOO-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@@H]1C1CC1)C1CCCC1	696060644	MMZDDLODBFWPJT-IXDOHACOSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](O)(CCC(C)(C)CC)c1ccccc1	696681322	BSNMDQCPRGPTIX-KRWDZBQOSA-N	248.410	4.891	0	10	BJAE	
CC(C)=CCCc1c(Cl)ccc(F)c1F	698105634	UYVDXMWGCRUXDY-UHFFFAOYSA-N	230.685	4.517	0	10	BJAE	
Cc1cccc(NC2C(C)(C)CCC2(C)C)c1	699626121	CMAPODNCTVRWOA-UHFFFAOYSA-N	231.383	4.622	0	10	BJAE	
C/C=C/[C@H](NCCC)c1cc2ccccc2s1	704671842	ISVHUXFMKMSJEY-MXPWBENCSA-N	245.391	4.518	0	10	BJAE	
CC(C)CC[C@@](C)(N)CCC1CCCCC1	704821143	FVJPHIOAASBAQO-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CCC1CCCCC1	704972008	YVVKVQBMXNXABG-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CNC1CC1)C[C@H](C)CC(C)(C)C	709106698	OSIPOCSILBSZGT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(C(C)(C)C)cn1	710016691	JMLNPIVYOIGNOE-GFCCVEGCSA-N	248.414	4.616	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@@H](CC)C(C)(C)C	711184247	JONCWAAVOYTDIG-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](C[C@H](CC)C(C)(C)C)C1=CCCC1	711212718	KYZMLMOZHSEAMQ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1cscc1Cl	711506842	PVZWCDRMPZZVIO-BXKDBHETSA-N	246.803	4.507	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC1CCCCCC1	713131075	FEZXBOMZVFTBLI-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C1CCC(C(C)C)CC1	713169628	OPSQIHFZYVJVMO-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	713304271	KSHACRGELGSGNU-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C=C/C=C/CCC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	713695940	PSHZOJWPVIEDBS-CBDHMYSDSA-N	234.383	4.540	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]21)C1CCC1	714260536	WMUBWBAQTCOJQW-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H]2CCCC[C@@H]21)C1CCC1	714321804	IDBSGUOMNWOJOS-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(CCC(C)=C(C)C)C1	718649328	DBZBSQOTZQHORP-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CNCCC)C1CCCCCC1	829260787	SZVADFSIXGLJHS-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC1(CN2CCC3(CCCCC3)CC2)CCCC1	1206597155	CZUNUCRZSKROIA-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
Cc1ccc(-c2ccnc3ccccc23)cc1C	1239851864	WFDCFTNHAPSXSD-UHFFFAOYSA-N	233.314	4.519	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2CC=C(C)CC2)CC1	1560799250	ZKFQEYJMUWFIOT-HNNXBMFYSA-N	249.442	4.824	0	10	BJAE	
CC(C)C[C@@H](C)C=C(CNC(C)(C)C)C(C)C	1883193433	ZCYHKRTUJAAACJ-CQSZACIVSA-N	239.447	4.639	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1C[C@H]1C(C)(C)C	1897613062	QINBZKJVKUCRHI-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
CCC(C)=CCOc1ccccc1C(C)C	1900823483	RSPKGSGHWHBFJY-UHFFFAOYSA-N	218.340	4.545	0	10	BJAE	
CCC(C)=CCC(=O)c1cccc(Cl)c1C	1900882422	KGIZCBUJWAPECX-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
c1cc(-c2nc([C@@H]3CC34CCC4)cs2)cs1	1903461015	KPNCUZVFESWMLH-JTQLQIEISA-N	247.388	4.529	0	10	BJAE	
C[C@H]1CCCC[C@@H]1c1nc([C@H]2C[C@H]2C)cs1	1905256064	FGUXZSNLWQTZLJ-USZNOCQGSA-N	235.396	4.560	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](N)C1CCCCC1	1905359719	FJDOHXQEZVEKGX-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCCCNCCC[C@@H]1C[C@@H]1C	1908573839	ZHYLSOMLXSCHQY-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(CC[C@@H]1CCCCC[C@H]1O)C(C)C	1909135013	PFDBMBRIUYMAGS-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
C=CC=CCC[C@H](NCCC)c1ccccc1C	1911985797	LIGCVOHZDQQSKK-KRWDZBQOSA-N	243.394	4.558	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1N[C@@H]1CCC2(CCCCC2)C1	1915915137	VUAZMANWTSWKHZ-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H](N[C@@H]1CCC2(CCCCC2)C1)C1CC1	1915921538	DBKLSCVLRYMIPI-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@](C)(N)CC1[C@H]2CCCC[C@H]12	1920198065	QGKPYIGRQDQIOK-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCNCC1(CCC(C)(C)CC)CC(CC)C1	1921181725	ATEZXJBXNPTSGN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)C(C(C)C)C(C)C	1940246908	VOYDYBAVNAEZNB-UONOGXRCSA-N	241.463	4.717	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CC1)CC(C)(C)CC	1940707820	ZVXHAGMVPDABQA-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](O)CC[C@@H]1CC1(C)C)CC(C)(C)C	1940863066	KPCUODXUMBGTCD-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)CNCCC[C@H]1CC1(C)C	1940878730	WYPBWJHWWYKRHY-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@]1(CNCC)CC=CC[C@H]1C	1940953823	KJUCBWMZZJCEAM-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](C)(O)C1CCC(C(C)(C)C)CC1	1941158883	WMPZWKQUTXTNEK-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@H](CC(C)C)C(C)C	1941264294	QTJPHNFPSNLSDK-LSDHHAIUSA-N	241.463	4.848	0	10	BJAE	
CC(C)C[C@@H](C(=O)CCCC(C)(F)F)C(C)C	1941272798	NBLCPHXSDKSLNP-GFCCVEGCSA-N	248.357	4.699	0	10	BJAE	
CCCNC[C@@]1([C@@H](C)CCC)CCCC1(C)C	1944484224	DEAYYLPOKHZAKY-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)[C@H](NC)C(C)(C)C1CCCCC1	1944661170	PVTFUXFRXJBVCM-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@@H](CC)C1	1947465742	IPDSYRIMTYFFCV-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@@H]1CCCCC12CCC2	1947863574	IYEHNIQQJIRZFY-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(N)CCCCCCCCC1	1947864269	FMYCVQXNWVKLJL-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@H](C)CC(C)(C)C)C1	1948408693	HHJODHBEUFDJIK-VEAWUBTESA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CCC1=CCCCC1	1949042117	ALIYSLOWASPQBJ-JKSUJKDBSA-N	235.415	4.565	0	10	BJAE	
CCC[C@]1([C@@H]2CCC(C)(C)C2)CCCCCN1	1949423345	XTUHYLMPNJXDOV-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](NCC)[C@@H]1CCC2(CCCC2)C1	1949454722	ZFNKNDOAPXXGBI-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@H]1CC[C@H](C)C1	1949518612	MKVZMKOCUWEOOB-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@H]1CC[C@H](C)C1	1949527962	DDRITKXSORWMPO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@H]2CCC(C)(C)C(=O)C2)CCCCC1	1949657212	YXJYTFBXISCZDQ-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC[C@@](CO)(CC2CCCCC2)CC1	1950909494	XSESRWDELPLHSR-HOCLYGCPSA-N	238.415	4.536	0	10	BJAE	
CC1(C)CCC(CO)(CCC2CCCC2)CC1	1950915675	CACWSVMPRYSSAY-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@@H]2CC(C)C)ccc1C	1969679127	HLYMIDUQSRVRSE-NVXWUHKLSA-N	245.410	4.794	0	10	BJAE	
CCCC1CCC([C@@H](C)NC[C@@H](C)CC)CC1	1969981017	LJYDFBVMYUTCMX-QRNKSROTSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CC[C@@H]1CC(C)C	1971662945	UFSMYOBBRRZXQD-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N1Cc1ccc(C(C)C)cc1	1971799403	HHMJVAMOWFSXNV-WMLDXEAASA-N	245.410	4.573	0	10	BJAE	
CCCC(C)(C)CNC1CCC2(CCC2)CC1	1973163467	FEVVKPMFCBVDIR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C[C@H](O)C1(C)CCCCCCC1	1981417208	XXKGEHIGUMNTSR-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
C[C@H](CCCC1CC(=C2CC2)C1)C(F)(F)F	1989313915	YWLOFAIZSWNLQG-SECBINFHSA-N	232.289	4.856	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1CCCC[C@H]1C	1990091350	MOXLQQSHRVHDGD-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2(CC)CCCCC2)C1	1995691274	KTHKCGVBFDWDNN-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)C1CCC(C)(C)CC1	1996555436	VXHLAANQVRNKQQ-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H](C)C1CCC1)NCC	1996612955	MLUUGUNKOZOPAN-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
C1=C[C@@H](Cc2snc3ccccc23)CCCC1	1997434326	YVWFYOXUMCFZIM-GFCCVEGCSA-N	243.375	4.585	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccccc1C1CC1	1997739253	VVIDWUFZFJQQET-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CCCC1([C@@H](CCC2CCCC2)NC)CCC1	2000334484	TYWBTPLULUNUGW-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](CC)(CN)[C@H]1C=CCCCCC1	2000502718	PRLANKOSWPYHBT-HOTGVXAUSA-N	237.431	4.668	0	10	BJAE	
CCCCCCN[C@@H]1C[C@H]2CCCCCC[C@H]21	2001502161	SJWBZIUNMUZTRM-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C[C@@](C)(N)[C@H]1CCC[C@@H](C)C1)C(C)(C)C	2003021313	QFVYLDHEJREJCK-ORIJERBGSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)CCCC2(C)CC2)C1	2003023275	WYRNARPMSHERRY-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CCC([C@H](N)[C@H](C)CC)CC1	2003067128	NMABHHFCRHAVRV-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C[C@H]1CCCCCCCC1=O)C(C)(C)C	2003074808	OICWVTXBBMKDMU-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1CCCCCC[C@H]1O	2003097992	ISJCLIGFWQAZBK-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCCCC[C@H]1O	2003100161	PJSGJIAGSKJNDJ-HZPDHXFCSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)C[C@H](O)C1(C)CCCCCCC1	2004920325	IZMJFNACGLMAAA-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CCCC(C)=C1C	2006927878	GXLHXUKUYMNTBS-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1CC(C(C)C)C1	2007749200	KZSADMMXPTXBFM-BCLQGDPASA-N	239.447	4.602	0	10	BJAE	
CCC1(CC)CC(N(C)C[C@@H](C)CC(C)C)C1	2009319458	LEIIRALDLUHTTB-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(O)CCC2(C)CC2)C1	2009544044	LYFBGLRGKOKRRU-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCN(C)[C@H]1CCC[C@@H](CC)CC1	2009567027	LPJKCBHBYSFDLK-CVEARBPZSA-N	237.431	4.633	0	10	BJAE	
CC=CCCC[C@@]1(N)CCC[C@@H](CC(C)C)C1	2009569111	LDHLRWFNPILMKG-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCCCC[C@H]1C(C)C	2009571144	GYSGMGVEOMWCEI-CGFBPQRUSA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@@H](CC(C)C)C(C)C	2009616390	IOPQTLYSUWXCKA-JKSUJKDBSA-N	239.447	4.639	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CCC[C@@H]1C	2009617483	SPBGHRDLBOZPRZ-VTTDZUNHSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](CCC1CCC1)NCCC	2009627090	IQTREABOCPSJSW-WMHVBEDNSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(O)CCCCCC12CC2	2011283641	AHJJKUBFTHJVIP-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC(C)C)CCC1(C)C	2014852571	IAXYTOXOBYXJOP-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@H](C[C@@H](C)C(C)C)NC)C(C)(C)C	2015289476	CAYXVBNCWBWAPT-KFWWJZLASA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C1(CC(C)C)CC1	2015755703	VGKOCWPONMGIQR-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1cc(F)cc(F)c1	2016149942	OGEYSABZFHHEQB-LLVKDONJSA-N	239.309	4.512	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)CC1CCC(C)(C)CC1	2017247452	ZQFFIDPMKSKLON-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(C[C@H]1CC[C@H](C)CC1)C1CCCC1	2017723000	SFTCZIREVHXRIV-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C1=CC[C@@H](C(C)C)CC1	2017794827	VSSYUAZCDFINNC-CJNGLKHVSA-N	237.431	4.523	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(CF)cc1	2018130197	IDMYBMTXTCZVHK-CQSZACIVSA-N	237.362	4.927	0	10	BJAE	
CCCC1(CC(=O)C[C@@H](CC)C(C)(C)C)CC1	2018940277	LRUPOPNTKLJJPF-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCNC[C@@](CC)(CC1(CC)CC1)C(C)C	2018984107	DCRCUWAXCNFWFJ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCC1(CC(CC)(CC)CNCC(C)C)CC1	2018985298	OGGAVYDIMDJXOA-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H]([C@@H]1C[C@@H]1CCC)C(C)(CC)CC	2022386348	XTORBAXBPBIIBE-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1nc2c(s1)CC[C@@H]1CCCC[C@@H]21	2022993777	RNQAMVCSKVJOTO-WDEREUQCSA-N	249.423	4.661	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CCCC1(C)CC1	2023322144	LSRDPXGXXPZCCZ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC[C@H](C)[C@@H]1NCCC	2024001571	SIBWDVLDAHBTGH-VTTDZUNHSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CCCC1CC1)NC	2026166827	MQOYNVYSGVPEPJ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)=C(C)CCN1CC[C@H](C2CCCCC2)C1	2027027418	VSZMBLDAYHZOSF-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CC[C@H](C(=O)c1cccc(CC(C)C)c1)C(C)C	2028258468	RYVJBVPKGHPANA-INIZCTEOSA-N	246.394	4.750	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)c1cccc(C2CC2)c1	2028553095	VQXPBOYRORRIAK-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](CCC)c1ccccc1	2029966790	MFZWBMPISZDSGC-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@@]12CCCC[C@@H]1CCC2	2031806394	XPXZTLSYIZEEKC-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)[C@@H]2C(C)C)cc1F	2035410136	NQKGXDNXVCQRRB-MAZHCROVSA-N	249.373	4.617	0	10	BJAE	
CCC/C=C/CN[C@H](CCCC)c1ccccc1	2036763165	MAPJNJNGYLKJDA-VDZSZVPASA-N	245.410	4.864	0	10	BJAE	
CC[C@@H](C1CCC1)N(C)[C@H]1CCC2(CCCC2)C1	2037681481	GJHKCFVDKCMDPW-HOTGVXAUSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)[C@H]1CCC2(CCCC2)C1	2037689534	GKFAPYHVYCBEEP-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CC1CCC2(CC1)CC(N)(C[C@H](C)C1CCC1)C2	2038892605	CTUFKASINXUNFX-ZFBLFJJNSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1C=CCCCCC1)C1(C)CCCCC1	2039850436	SVYRYYZIYOSYRM-JKSUJKDBSA-N	249.442	4.824	0	10	BJAE	
C[C@@H]1CC[C@@H](CNC2(C3CCCCC3)CCC2)C1	2040130665	JTSNIRJFIIZFQQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCC3(CCC3)C2)CC1	2043605455	LNLZYHHYAQCQBM-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)C1(C)CCCCCC1	2045797334	QCCOJACGONPENF-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(CN)(C[C@H]2CC23CCCCC3)CC1	2047012249	NFVBVENQZSZVPV-PCKAHOCUSA-N	249.442	4.502	0	10	BJAE	
Cc1cccc(OC[C@@H]2CC23CCCCC3)c1C	2047054550	FBSZNYSZIFMPBE-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
O=C(C[C@@H]1CCC12CCC2)C[C@@H]1C=CCCCC1	2047929062	OBADTLJRUVQIIX-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1CCC12CCC2	2047934045	YKXQHKDSKUEBLC-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](C2CCC3(CCCN3)CC2)C1	2048954402	WJAOQRILXLWAEX-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@@]1(C)C=CCCC1	2050000360	NBTHKEUWWDDDNB-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(=O)CCC2CC3(CCC3)C2)cc1	2050448292	BQWMQHWWYZRNHA-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@H]3C[C@H]3C2)CCCCCCC1	2052475849	PGIWUXGVWJSBBX-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@@H]1CCCCC12CC2	2053412748	QPLCSWFNYRSUCD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@H]1CCC[C@H]1C	2060921178	JMSAFFBTFIJOOW-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CC[C@@H](C)CC1)C1CCC(C)(C)CC1	2060925734	MRBABOAJHUSFLV-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)[C@]1(C)CC1(C)C	2061081438	ONZRAZBABNVRBD-LXZKKBNFSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C(C)C)CC1)C1CCC1	2061088122	KPPAURUAEQUBLD-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)C2CCCCCC2)CC1	2061089111	RCNKEQLULJGADF-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@H](N)C2(C)CCCCCC2)CC1	2061096293	TWZZJULVNYTBGR-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@H]1C[C@@H]1CC	2061147279	NCAVJBDQDHIZDW-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CCC(NC2CC(=C3CCC3)C2)CC1	2061260376	MJVOCYBQYQNQKW-UHFFFAOYSA-N	247.426	4.578	0	10	BJAE	
CC(F)(F)c1ccc(CC2CC(=C3CC3)C2)cc1	2061720755	MPDDGUDWCKGXQJ-UHFFFAOYSA-N	248.316	4.841	0	10	BJAE	
C[C@](N)(CC1CCCC1)CC1C[C@@H]2CCC[C@H]2C1	2063496347	IZXUFGASROCJJN-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC(C)=C1C)c1occc1C	2063681944	VASSTIIDOODKOI-HUUCEWRRSA-N	247.382	4.518	0	10	BJAE	
C[C@H](NCCCC1CCCCC1)C1CC2(CC2)C1	2064497044	GRTDBCPVXVAJJG-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCCN1CC12CCC(CC1)CC2	2065280009	PXBQRNRUIWLOMA-AQFXKWCLSA-N	249.442	4.611	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)c1cccc(CC(C)C)c1	2072767824	MDCWMXGEURRBPE-KRWDZBQOSA-N	248.410	4.529	0	10	BJAE	
CCCC1CCC(C[C@@H]2CC=C(CC)[C@H]2N)CC1	2072807754	ZIJSVCMLAYQDDL-YQEWQEHLSA-N	249.442	4.667	0	10	BJAE	
CCCCCC1CC(N)(C[C@@]23CCCC[C@H]2C3)C1	2074035629	XXWONZMFKBBEBE-YZUHTNEWSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCC1(CC)CC1)c1ccc(C)cc1	2074628854	JHMMOGYVYMRJKN-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CCCCC23CCC3)CC1	2074650040	ZOXSCLMALWKRNQ-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCCCCN(C)CC1CC(=C2CC2)C1	2075152726	XOILBHLITXAGKE-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)[C@@H]1C=CCCCC1	2075364782	IYIXVNZFDZOTBQ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CCCN([C@@H]2C=CCCCC2)CC1	2075401511	NPMXZIPBJCOGJL-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
C[C@H](N(C)[C@H]1C=CCCCC1)C1(C)CCCCC1	2075406545	BNDSUNUPGFABAK-HOTGVXAUSA-N	249.442	4.776	0	10	BJAE	
CCCN(Cc1ccccc1C)C1CCCCC1	2076585960	MMZZWXPKTYGTLL-UHFFFAOYSA-N	245.410	4.540	0	10	BJAE	
CC(C)[C@H](Nc1ccccc1C1CCC1)C1CC1	2077264154	LCUOYKFPMZEWOA-KRWDZBQOSA-N	243.394	4.801	0	10	BJAE	
O=C(CC[C@H]1C[C@@H]1C1CCC1)CC1CCCCC1	2079331845	GYXWJRNKMBNVFR-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CCC1(C[C@H](N)[C@H]2C[C@H]2C2CCCCC2)CCC1	2079426564	BTOMWMBDUARNJZ-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1ccc(CC(C)C)cc1	2079476298	QJRGMBYJUUQDOD-CVEARBPZSA-N	244.378	4.504	0	10	BJAE	
C=CC=CCCC(=O)[C@H]1C[C@H]1C1CCCCCC1	2079482885	FGYBSYJEJNYVCR-HOTGVXAUSA-N	246.394	4.684	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1C[C@@H]1C1CCCCCC1	2079526419	FJLNEMRRPAAQFL-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CCCNCC(=C[C@H]1C[C@H]1C1CCCCC1)CC	2079662742	XALJYJRQTBORQW-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CC(C)=CC[C@H](O)c1ccc(C2CCCC2)cc1	2081784017	AROCZXFNTZFMCL-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCCCC1(C)C	2081946321	GIIINIFUONSOJV-OAHLLOKOSA-N	249.373	4.769	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC1CC2(C1)CC1(CCC1)C2	2083644998	RORKFKTVNXDAHQ-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CN[C@H]2C[C@H]3CCC[C@H]2C3)CCC1	2086200811	OFLRDOYICFVHOK-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC)CCCCCCCC1CC1	2210525934	XEBLYIWYXZJUHL-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCC(CC)(CCCCCCC1CC1)C(=O)O	2213539999	ZMTAADLGFLAEOW-UHFFFAOYSA-N	240.387	4.628	0	10	BJAE	
C[C@@]1(C(F)(F)F)C[C@@H]1C/C=C/c1ccccc1	2213823769	XMYLMFKDGQEEJV-DGYDABPTSA-N	240.268	4.678	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CCC[C@H](C(C)(C)C)C1	2216256798	JFLQVJWIJLMCIZ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(CCC2CCC2)C1	2216258421	PPWGUEWNPBBMEJ-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)NCC1(CC2CCCCC2)CCC1	2217147403	JEMNHJFVFQWXOK-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@H](CCCC(C)(C)C)C1CC1	2217155595	DGBDGPKTNVZGNR-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC2C[C@H]3CCC[C@H](C2)C3)N1	2218362624	ZPBIIOQSTZUPFV-XJNFMUPTSA-N	249.442	4.514	0	10	BJAE	
NC1(CCCCCCC2CC2)C[C@@H]2CCC[C@H]2C1	2218728587	VDMJYATUXDHMIK-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@@H]1CC(N)(C1CCCC1)C1CCCC1	2220677761	XPBBXRBDYWBUMI-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](NCC1(C)CC2(CCC2)C1)C1CCC1	2220936876	UOVGZCPIUVLWDW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)C[C@H]2CC[C@H](C)CC2)CC2(CCC2)C1	2221003278	SVGOALCYICJHBE-HDJSIYSDSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)CCC2CCCCC2)CC1	2221628709	DAWMEGYTXCBJKZ-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2CC=C(C)CC2)CC1	2221664611	WQNBKAHTIKVRAO-ZACQAIPSSA-N	249.442	4.824	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](N[C@@H]2C=CCCCC2)C1	2222265331	ZVXHLCLDIVRASA-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@@H]1CC=CCC1	2223118036	LTFUABMFNGRTPK-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CC(C)(CNC1CCC1)[C@@H]1CCC2(CCCC2)C1	2223541227	GSBCVWBSMHVJFD-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
COC12CCC(CC[C@H]3C=CCCCC3)(CC1)C2	2223621346	TYLGGRWQTNPGFD-GTPINHCMSA-N	248.410	4.862	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1ccc(C2CCC2)cc1	2223702308	NHAVGXNMIVUCQX-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@H](C)c1ccc(C)cc1	2223963271	GIYVLGPQJJSAAF-ZBFHGGJFSA-N	247.426	4.513	0	10	BJAE	
C1=C(C[C@H]2C[C@@H]2c2ccccc2)CCCC1	2243237398	LQZLTLSHNKMHOS-JKSUJKDBSA-N	212.336	4.681	0	10	BJAE	
CCC(CC)C[C@H](N)CC[C@@H]1CCCC12CC2	2247620754	VPXPWRWRPKXUOP-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC1(C)C)[C@H](CC)CCC	2250353067	QWXIINBMTOXCPL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H](CC)CCC	2250356669	FNOBKPQZIJHIBP-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@@H](C)[C@@H]1N	2250482097	RMVAGAHOFOXZLA-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@]1(O)C=CCCC1	2250495546	JGEYQYMCJKENCI-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H]1[C@H](CC(C)(C)CC)CCC1(C)C	2251698014	QIQNXMOOQUZECA-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@H]1CCCCC12CC2	2253818474	OGILWKQPJJEOQM-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@@H]2C=CCCC2(C)C)C1	2253962532	MNVQIUUJAZKOJI-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](CCn2ccc3ccccc32)C1	2253964880	LRKURGRKTGSTRS-GJZGRUSLSA-N	241.378	4.858	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)C2(CC3CC3)CC2)C1	2253994338	DNLGIFNJAVGWRC-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](N)CC2CC3(CCCC3)C2)CCC1	2254052535	BCHAYLAETXBDOK-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@@H]1CCC2(CCCC2)C1	2254518187	VEIRISAHWQLWDK-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C1CC2(CCCC2)C1	2254575436	DXKRGJMYGWGQGP-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CCCC[C@@H]1C[C@@H]1C	2254587450	QOHNZGYQARDWMV-ARFHVFGLSA-N	246.394	4.553	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)[C@@H]1CCCC2(CC2)C1	2254599067	SZCYYRTXOJAUME-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1CCC12CCC2	2255011940	XTDCYSRLFXQYOO-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCNC[C@@H]1CC[C@@H](C)C[C@@H]1CC1=CCCCC1	2255095759	HITFPRKMVZORMU-HYVNUMGLSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1CCCCN1CC[C@@H]1CCCC12CC2	2255231823	GFCJDRZFLHWYEW-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNCC1CCC=CCC1	2257360471	HAWYNAMNULDQCB-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@@H](C)Oc1ccc(C(C)=O)c(C)c1	2257461751	BLCGUKXDZMFKEF-CYBMUJFWSA-N	248.366	4.545	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cccc(C(C)(C)C)c1	2257957884	RKZWXCCKXXPQLI-OAHLLOKOSA-N	245.410	4.975	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@@]23CCCC[C@@H]2CC3)CC1	2260579628	SFFRPYCIJQKKDJ-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@]12CCCC[C@@H]1CC2	2260583306	OCDNTBBTAMXGPZ-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)C[C@@H](C)Nc1ccnc(C(C)(C)C)c1	2260747607	ZPZBROQARAPWTA-QWHCGFSZSA-N	248.414	4.616	0	10	BJAE	
C[C@@H](N[C@@H]1CC(C)(C)CCC1(C)C)c1ccoc1	2261402803	OPWUYAZFLQICQG-TZMCWYRMSA-N	249.398	4.535	0	10	BJAE	
CCCCCC1CC(O)([C@H](C)CC2CCC2)C1	2298855419	UFJJRLAAWAOANU-IUDNXUCKSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC1CCC1)N1CCCCCCCCC1	2298868792	XAEZRIQFGYWFSC-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
Cc1ccc(C(C)C)c2cc([C@@H]3C[C@H]3C)[nH]c12	2300647277	VOQCDEDEDAVLPN-DGCLKSJQSA-N	227.351	4.723	0	10	BJAE	
CCC(C)=CCNCC1(C)CCCCCCC1	2300860233	FDZGDXFDWURNKO-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC(C)=C[C@@](C)(N)CC=C(C)CCCC(C)C	2300875839	ZMHDSQCYLNVDJV-INIZCTEOSA-N	237.431	4.833	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CC1CCCCCC1	2301135446	KOKFQVYRFVCNPF-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301143273	SCSRWDMERAKUSL-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1C[C@H]2CCC[C@H]1CC2	2301144528	FHTGBMJVJNCCQQ-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCCC1CC(CO)(CC2CCCCCC2)C1	2301147843	NOQPPGFKBJCKBP-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](CC2CCCCCC2)C1	2301242362	ROSWHAHDQPPRIE-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@@H](CCC1=CCCCC1)NC	2301899957	OHZKGNXBYJZELL-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)CCCCC[C@@H]1C[C@H]1C	2301916344	BOVDUIFBLKPRJR-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
O=C(CCC1=CCCCC1)CCC1(F)CCC1	2301920474	CLLWQZXTPDWDLC-UHFFFAOYSA-N	238.346	4.509	0	10	BJAE	
CC1(CC[C@H](N)CCCC2=CCCCC2)CC1	2302359280	PESKSYUXVWZVOV-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
C[C@H](C[C@H](O)C[C@H]1CCC(C)(C)C1)C(C)(C)C	2302673470	XXHNQXWESQAFQX-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)N(C)C[C@@H]1CCC(C)=C(C)C1	2303523973	LOGRSQAJZMSPSK-JKSUJKDBSA-N	237.431	4.633	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2cccc(Cl)c2)CC1	2303602494	WDIDPRFKTDVXOZ-ZDUSSCGKSA-N	249.785	4.888	0	10	BJAE	
CCC[C@@]1(CC[C@@H]2C[C@H]2CC)CCCCCN1	2303626435	ZBKDRRNYNCJQHG-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCCNCC[C@@H](C)CC[C@H]1CCC(C)(C)C1	2304445514	BNWBTHXOMBVZGA-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)CC1(CNC(C)(C)C)CCC1	2307747485	PMPYOQBKTZFVIV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)C12CCC(CC1)C2	2307817419	OZIUVQOSKOCWBI-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)C1CC2(CCC2)C1	2307818017	WINPEFCAQHDWIL-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@]1(C)CC=C(C)CC1	2307891657	ABNJDOBJGNWKEO-ARFHVFGLSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)C1(C)CC(C)(C)C1	2307895191	PGOFYOFXIKUMFO-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1C[C@@H]2CC[C@@H]2C1	2315892289	RXMHXXRSPTYCSD-ZSHCYNCHSA-N	243.394	4.719	0	10	BJAE	
CCC(CC)CCN1CCC[C@@H]1c1ccccc1	2316239076	HAGHOXFCFLCYKF-QGZVFWFLSA-N	245.410	4.650	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@H]2C[C@H]2C1)CCCC(C)C	2316491908	RAAMOOLEFOJSRY-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H](N)CCC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317148428	MDNRJWNVTRRDOB-FPCVCCKLSA-N	249.442	4.523	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]3C=C[C@H]2CCC3)CCCC1	2317154104	CKRKDBOUGDUPAR-KFWWJZLASA-N	246.394	4.518	0	10	BJAE	
N[C@@H](CCCCCC1CC1)CCC1=CCCCC1	2317902522	XDCKTRHYVCYDNR-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC1=C(C)[C@@H](N)[C@@H](CCCC2=CCCCC2)CC1	2318538645	JQUJZYMUZHBVSC-DLBZAZTESA-N	247.426	4.731	0	10	BJAE	
C[C@H]1CCC[C@@H](N(C)CCCC2=CCCCC2)C1	2318579843	IXAKQFMMAXNDFO-DOTOQJQBSA-N	249.442	4.778	0	10	BJAE	
C[C@H]1CC[C@H](CNCCCC2=CCCCC2)CC1	2318593230	RLAMKRXWVNXIHA-JCNLHEQBSA-N	249.442	4.683	0	10	BJAE	
CC(C)(C)C1CCC(=CC2(N)CCCCC2)CC1	2318966291	GEYSTMUTRCZCFS-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)C[C@]23CCCC[C@H]2CC3)C1	2319001225	RKERKSZBOZSYFO-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](O)C[C@@H]2CCC(C)(C)C2)cc1C	2319080320	NZZATZJKLANVCO-GOEBONIOSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CC[C@H](C[C@@](C)(F)c2ccc(N)cc2)C1	2319327586	XSIWHBMUJBVZAL-BLLLJJGKSA-N	249.373	4.670	0	10	BJAE	
CC(C)(C)C(=O)[C@H](c1ccccc1)C1CCCC1	2319602121	DXVDRFDSWBAJBL-OAHLLOKOSA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@@H]1CCCC12CC2	2320251621	BONHLSLYAYQFGF-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
CNC[C@@]1(C2CCCCCC2)CCC(C)=C(C)C1	2320262446	BQUZUHXWPNMCPA-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc(C(C)C)c(C2(O)CCC(C)CC2)c1	2327708858	SYANAAIKYVXUFF-UHFFFAOYSA-N	246.394	4.516	0	10	BJAE	
CCC[C@@H](CC)CN(C1CC1)[C@@H](C)c1ccco1	2328098347	UZGRXCDDLQJJCK-UONOGXRCSA-N	249.398	4.631	0	10	BJAE	
CC12CCC(CC(=O)c3ccccc3)(CC1)CC2	1505548	DTIUWZCUMXVWPA-UHFFFAOYSA-N	242.362	4.620	0	10	BJAE	
CCCCCCNc1ccccc1C(C)C	20359207	HWBBKMUACWULKH-UHFFFAOYSA-N	219.372	4.802	0	10	BJAE	
C[C@H](NC1CCCCCCC1)c1cccs1	21511970	DIBAZOZFGSBFEH-LBPRGKRZSA-N	237.412	4.512	0	10	BJAE	
CC(=O)c1ccccc1S[C@H]1CCC[C@H](C)C1	54691640	QUZSXZDKVZWRNT-AAEUAGOBSA-N	248.391	4.560	0	10	BJAE	
CCCc1ccc2oc(C3CCCCC3)nc2c1	62533913	ULMOYCFHIARZRI-UHFFFAOYSA-N	243.350	4.828	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(CC)CNCC	71128095	NDONCIBWANWMJH-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](C)c1ccc(C)s1	83864316	AISOSUPTKLHDOX-GVXVVHGQSA-N	239.428	4.532	0	10	BJAE	
C[C@H]1CC[C@@H](NC(C)(C)CC(C)(C)C)C[C@@H]1C	84985632	VWKAJZGDFIBQMF-MELADBBJSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)c2ccc(C)c(C)c2)C1	87988504	OTJNZGCJFGTJHW-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
CC(C)c1cccc([C@H](N)CCC(C)(C)C)c1	95779571	ZUOLSJAQZZJYJH-OAHLLOKOSA-N	233.399	4.636	0	10	BJAE	
CCCCC1CCC(CCCC)(C(=O)O)CC1	109673560	AROAJQXGJMYQNO-UHFFFAOYSA-N	240.387	4.628	0	10	BJAE	
CC[C@H](N[C@@H](C)c1c(C)cc(C)cc1C)C(C)C	109929249	WNIJEFHMHICHSU-HOTGVXAUSA-N	247.426	4.697	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@H]1CCCC[C@@H]1CC	111747360	COUNMDJKHSYONE-DZKIICNBSA-N	249.398	4.537	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C1CCCC1	130618560	NMFJBNACSKSLJH-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)Nc1c(F)cccc1Cl	135245451	XUVNMNCLKWSUAD-JTQLQIEISA-N	243.753	4.860	0	10	BJAE	
CC(C)(C)CCCOc1cccc(Cl)c1	142941590	TYSCEBYUDHJSFO-UHFFFAOYSA-N	226.747	4.545	0	10	BJAE	
CCC(CC)C[C@H](N)c1ccc2ccccc2c1	148304291	SMFCFYCODQWOHJ-KRWDZBQOSA-N	241.378	4.666	0	10	BJAE	
CC[C@H](C)c1ccc(-c2ccc(C)cc2N)cc1	164295206	PPUHWCRJHPBHPX-ZDUSSCGKSA-N	239.362	4.758	0	10	BJAE	
CCCCCC(=O)[C@H](c1ccccc1)[C@@H](C)CC	164759851	BYHOCKPDSYPYOE-YOEHRIQHSA-N	246.394	4.966	0	10	BJAE	
CCNC[C@@H](CCCC(C)C)c1ccc(C)cc1	166089529	HIBKVAFSJBDYFZ-QGZVFWFLSA-N	247.426	4.514	0	10	BJAE	
FC(F)(F)c1c(Cl)ccc(Cl)c1Cl	196518290	OJPRPROSLRCIRU-UHFFFAOYSA-N	249.446	4.666	0	10	BJAE	
CC(C)=CCC[C@@H](C)CCNCc1ccccc1	223086029	GFTCLQGVDYQHHZ-MRXNPFEDSA-N	245.410	4.549	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H]1CCC[C@@H](CC)C1	226995840	PEZHPMWOXWIXDD-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C(=O)c1cc2ccccc2s1	229218296	USYAMBHIWJLZRA-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
Cc1ccc(C)c([C@H](O)C2=CCCCCCC2)c1	235886975	XSISAJQKZNPTKE-QGZVFWFLSA-N	244.378	4.617	0	10	BJAE	
Cc1cccc2c1NC[C@@H]2CCC1CCCCC1	235916079	QFMAPYFIMRTYLY-HNNXBMFYSA-N	243.394	4.865	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCCC1	250919000	ZOXJDKDFAQXUTQ-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@]1(N)CCC(C)(C)C	251737903	CQXNGMBIRGCJHP-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C[C@H](C)CC(C)(C)C	252907504	WPEUOIXKLILICF-IHRRRGAJSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@@H]1CCCC[C@H]1CC	253025856	DCDFTZGFERXPNJ-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)cc(C2(C#N)CCCCC2)c1C	260709425	UNBVRFZVYYENEV-UHFFFAOYSA-N	247.769	4.682	0	10	BJAE	
CC[C@H](NCCCC(C)(C)C)c1cccs1	300821468	HDDZTDAUVNHONG-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC(C)C)NCCC	300965442	RDTBUGVIWQJXHO-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC1(C(=O)CCC2CCCCC2)CCCC1	304124638	GEBMHOKFTWPFAT-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	308051509	DQYCTUJOWZCNGG-BARDWOONSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@](N)(CCCC(C)(C)C)c1ccccc1	310576804	PLZHKRIUQYTFJZ-QGZVFWFLSA-N	247.426	4.857	0	10	BJAE	
Cc1ccc([C@@H](N)CC2CCC(C)(C)CC2)cc1	310974511	ITJJLDRSKBBROU-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2CC3CCC2CC3)C1	311054878	JCFPNLSPMMFOTF-OPKDVZQQSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(C)(C)CNC(C)(C)C)C1	317751396	ABVIPDRUVYNCHX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@](CNC(C)(C)C)(C(C)C)C1	317762843	AFTVOVXABBBTQI-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C/C=C\C[C@]1(CNC(C)(C)C)CCC[C@H](C)C1	317888055	FFLNNIWVNUGWOW-VGHLEMBNSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](NC)C1CCCCCCC1	319511901	CMERUILDSXZKPH-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC/C=C/c1ccccc1	324195976	VGLFCBFLMAVDNK-FWVUHSSSSA-N	246.394	4.667	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H]1CCCC1(C)C	383246151	VUOKDENSHXRBQO-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@@H](C)CC(C)(C)C)c1	384881160	JWSJRZITGYKNKJ-GJZGRUSLSA-N	247.426	4.779	0	10	BJAE	
C[C@H](CCNC(C)(C)C)C[C@@H](C)c1ccccc1	385007556	WJCNNLOOUSEABY-HUUCEWRRSA-N	247.426	4.595	0	10	BJAE	
CC(C)CCC[C@@H](C)NCCC1=CCCCC1	385144892	JBVIEHBDKCYLPQ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C1(CCC)CC1	390482798	MCTVTNDMUCWXHC-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(C)cc(NCC2(C)CCCCC2)c1	394669525	POWCBYMKEXCMDT-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CCC(/C=C(\CNC1CC1)C(C)C)(CC)CC	395123815	MUAAUTFMNMPXEV-SDNWHVSQSA-N	237.431	4.537	0	10	BJAE	
CSc1csc2c(F)ccc(C(F)F)c12	396231834	AYQHRNNAYMCVNS-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCCC=C(C)C)CC1	397764972	YDVGVHROFNHPGF-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
Cc1scc(C(=O)C2CCCCCC2)c1C	399907562	DLLRNTOLGZGGNV-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
O=C(CCCC1CC1)c1csc2ccccc12	405775468	CQDHMKFQWCFXSV-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(C3CC3)cc2)C1	690102782	QMSFDLICNVGYEK-CXAGYDPISA-N	243.394	4.945	0	10	BJAE	
CCC[C@@H](C)C(=O)c1cc2cscc2s1	694361776	REXHFGQKMCOZEM-MRVPVSSYSA-N	238.377	4.582	0	10	BJAE	
CC[C@H](C)CC(=O)c1cc2cscc2s1	694361787	RMTGVPNONWYWKX-QMMMGPOBSA-N	238.377	4.582	0	10	BJAE	
CC[C@H](N[C@@H](C)C(C)(C)CC)c1cccc(C)c1	695102321	ZSSCLJIYEGNJFD-HOCLYGCPSA-N	247.426	4.860	0	10	BJAE	
CC1(C)CCC(NC[C@H]2CCCC3(CC3)C2)CC1	695690827	PBDRBYTWAAUCBB-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CC1(O)CCC2(CC1)CC2	695978835	BWUGMBARJKKLHA-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCC[C@](O)(CCC(C)(C)CC)[C@@H]1CC1(C)C	696726341	IWSLBERXYPRVSY-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CCNCC(CC)(CC)CC	696798617	CXABRWIOKYKPIK-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCC(C)(C)CC(=O)CC1CCC(C)CC1	697260004	UTKCDYXYXWPKGZ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@H]1C(C)(C)C	699759461	QFUZKWFVRBRXDR-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCC(F)(F)C1	702565995	QZFQUOCSQYAKOI-QWHCGFSZSA-N	247.373	4.513	0	10	BJAE	
CC(C)=CCC[C@@H]1C[C@@H]1c1ccccc1	704571405	BBEAEJXEVVUQIM-HUUCEWRRSA-N	200.325	4.537	0	10	BJAE	
CC(C)=CCC[C@@H]1C[C@@H](C)CC[C@@H]1CNC1CC1	704848380	LNHFNIRWMVGANK-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](N)(C[C@@H](C)CC(C)C)C(C)(C)C	704889530	NTCLAOVYMAHEPC-ZFWWWQNUSA-N	227.436	4.602	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@H](C)CC(C)(C)C	708281863	IKJSDGCJHHSYLO-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C[C@@H](C)CC(C)(C)C	709103609	PIWIPIVILJQNND-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(OC[C@H]2CC3CCC2CC3)c(C)c1	709461167	MKJZFANKJQUNKN-UYSNPLJNSA-N	244.378	4.509	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)C1CCC2(CC1)CC2	709957729	HIRCVMNUTANSLV-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1cccc(NC)c1	711871551	CBJFZQAVMDHKOF-ZDUSSCGKSA-N	247.382	4.518	0	10	BJAE	
C[C@H](C[C@]1(N)C[C@H]2CCCC[C@@H]21)C1CCCCC1	712417392	PCSFCPXGRXUDIK-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
c1cc(CC2CCC2)cc(-c2cccs2)c1	713471682	AOPCKGQJESLLLB-UHFFFAOYSA-N	228.360	4.758	0	10	BJAE	
C=C/C=C\CC[C@]1(CNCC)CCC[C@@H](CC)C1	713700589	LTCMPRPUKYDCND-ZMJQMOPZSA-N	249.442	4.705	0	10	BJAE	
CC(C)(C)c1ccccc1C(=O)C[C@@H]1CC1(C)C	722857629	MGVRGVIOWBAOGJ-GFCCVEGCSA-N	244.378	4.603	0	10	BJAE	
CC[C@H](C(=O)CC1CC(C)(C)C1)c1ccccc1	723588923	WVEBQWVHHDZIKO-HNNXBMFYSA-N	244.378	4.576	0	10	BJAE	
Cc1ccccc1CSC[C@H](C)C(C)(C)C	1458772670	CHPLQEGLYQIFRK-ZDUSSCGKSA-N	236.424	4.910	0	10	BJAE	
Cc1ccccc1[C@H](C)SCC1CCCC1	1473098405	CXRLJQINSRNVTI-ZDUSSCGKSA-N	234.408	4.979	0	10	BJAE	
c1ccc(CSCCC2CCCCCC2)nc1	1559445792	MMGZWNUUCLPXRI-UHFFFAOYSA-N	249.423	4.675	0	10	BJAE	
CCC(CC)SCc1ccc(SC)cc1	1613527256	DAXXYFXWHWHEFX-UHFFFAOYSA-N	240.437	4.830	0	10	BJAE	
CC(C)CC[C@H](C)NC[C@H]1CCC=CCCC1	1653229830	CFJAUZUFUFGQRE-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1CCCCCC1	1662492100	IOKYLLGDCLAXSV-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1ccccc1CN(C)C[C@@H](C)C(C)C	1875905366	JHILBUJARWUFMZ-OAHLLOKOSA-N	247.426	4.534	0	10	BJAE	
NCC(=CC1CCCCCCC1)C1CCCCC1	1879302746	BSSOHHMVZYYUAE-UHFFFAOYSA-N	249.442	4.812	0	10	BJAE	
CCC(C)=CC[C@@H]1CCCCCCCC1=O	1900865251	BHAMIJUWFFEDBD-AWEZNQCLSA-N	222.372	4.662	0	10	BJAE	
C=CC=CCCCc1cccc(C(C)C)c1	1902961781	FOEBTEWQEZJCGH-UHFFFAOYSA-N	214.352	4.875	0	10	BJAE	
CC=C[C@@H](C)Cc1ccc(C(C)(C)C)cc1	1911844900	APMXRGGJOCDWKG-CYBMUJFWSA-N	216.368	4.739	0	10	BJAE	
C=CC=CCC[C@]1(CNCC(C)C)CCC[C@H]1C	1911885750	JXYZJXCKZFOWOZ-IAGOWNOFSA-N	249.442	4.561	0	10	BJAE	
CCNCCC(C)(C)CCC=Cc1ccccc1	1911944310	KCEZCBNHAIJEIK-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C2CC3(CCCC3)C2)C[C@H]1C	1912615909	IAXAVMVVRRXTSH-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCCCCC[C@H]1[C@H]1C[C@H]2CC[C@H]1C2	1913385518	AZIQLNUHQDPNCJ-VGWMRTNUSA-N	248.410	4.742	0	10	BJAE	
CCCCCC[C@@](N)(CC(C)C)c1ccccc1	1920484699	RCXNJVWCFHNWJX-QGZVFWFLSA-N	247.426	4.857	0	10	BJAE	
C[C@H]1C[C@@H]1C1(N)CCCCCCCCCCC1	1920488508	FYKBUAFLVVDMJN-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCCc1cccc(C(=O)[C@H](C)C2CCCC2)c1	1924140694	BAKHAKGNHPIMDM-CYBMUJFWSA-N	244.378	4.648	0	10	BJAE	
Cc1cc(C)cc(CC[C@H]2C=CCCCC2)c1	1925832007	DOGKKRQKWQFQPV-INIZCTEOSA-N	228.379	4.982	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@H](C)CC	1925917633	ZQIVEHYFTKJLQF-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
FC1(F)CCC[C@H]1CC[C@@H]1C=CCCC1	1932599399	UFJYVGUGHSSNTO-NEPJUHHUSA-N	214.299	4.558	0	10	BJAE	
Cc1cccc(Cl)c1NCCCC1(C)CC1	1935930911	NBULTSYFNAUDNH-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCCCC[C@@H](NCC)c1csc(CC)c1	1936759660	UBJIXIVQIVMXNF-CQSZACIVSA-N	239.428	4.541	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1CCCCCC1	1937161251	FNFJKBICZJVXGC-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@H](C)CC(C)(C)C	1937162777	DDXNOAZYYMLBKB-QWHCGFSZSA-N	226.404	4.700	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)CCC[C@H]1CC1(C)C	1940881897	HRVBALZEXKGZFG-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]([C@H](CC)C(C)C)C(C)(CC)CC	1941269262	OCSUPYVUFOFTRL-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@@H](C)NC1CC(C2CCC2)C1	1942154811	RHCSZHRYZMIKJA-IUDNXUCKSA-N	237.431	4.514	0	10	BJAE	
CC1(C(=O)c2cccc3sccc23)CCCC1	1945969585	GVIVLILXLJDGND-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)C(C)(C)CC	1947583223	XVKCVXDOLPQOTM-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC1(N)C[C@H]2CCCCC[C@@H]2C1	1947859317	PKDITUGTRBHWAQ-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)[C@H](C)CC(C)C	1948325067	DVBSJYIJXJTKES-PMPSAXMXSA-N	241.463	4.993	0	10	BJAE	
CCC1(C)CC(N[C@H](C)CC2CCCCC2)C1	1948398278	PQCQIZHSVFGQGZ-IUDNXUCKSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC(C)(C)N[C@H]1CCC2(CCCC2)C1	1948674213	MYODFLLLBJLIFD-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CC(C)=CCC[C@]1(N)CCCC[C@H]1C(C)(C)C	1949025459	VTZJCAYCQUYQTB-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCC(F)(F)C(C)(C)C[C@](C)(N)CCC(C)C	1949026430	JIKLPACIBHSHKE-CYBMUJFWSA-N	249.389	4.602	0	10	BJAE	
CCC[C@H](C)C1(O)CC2(CCC(C)(C)CC2)C1	1950544397	TUNAEZVHLZSMSA-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CN(C)C[C@H](C)C1CCCCC1	1964258283	HMCPTGGMYMXSQQ-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
C[C@]12CCC[C@@H]1N(CC1CCCCCC1)CCC2	1966618820	YFZPWQWMLLVZMI-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CC[C@@H]2CC(C)C)c1	1968230689	ULDIQVSRSHEZKT-CABCVRRESA-N	231.383	4.540	0	10	BJAE	
Cc1ccccc1OCc1cccc(C(C)C)c1	1968271262	SJFLNTXVMHKJOE-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CCC[C@H](C)N[C@H](C)C1CCC(C(C)C)CC1	1968898382	BPEWITILJNSPQX-QRNKSROTSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H]1CCCCN1CC1CCC2(CC1)CC2	1970604876	HAKQZARLTLWKBG-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](CN(C)CC1(C)CCCCC1)C(C)(C)C	1973010835	UVPDQJKKCYUBBR-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCCCC[C@H](N)[C@H]1CCC[C@@H](CC)CC1	1976343206	TVJRHBBJNAOITE-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCc1cnc([C@H]2CCCCC23CCC3)s1	1981841133	PGVCXDJWRDFZIU-GFCCVEGCSA-N	235.396	4.533	0	10	BJAE	
CC=CCCC[C@@H](O)C[C@H](CC)C(C)(C)C	1984608915	YTSWLAPCFCBRTD-UONOGXRCSA-N	226.404	4.556	0	10	BJAE	
CC=CCCC[C@@H](CC(C)(C)C)NCCC	1984619072	QGVWJQPCSNBRGA-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H](C)CN(CC)CCCCCC(C)C	1990847493	ZXEDHVNVDYWDKM-OAHLLOKOSA-N	227.436	4.571	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC[C@H](C)C1=O	1993963384	CHYXCGURWDGTMJ-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
C[C@H](NCC1(C)CCCC1)C1(C)CCCCC1	1995990716	JMWGHVTURTWKPM-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@H]1CCC(C)(C)C1	1996553874	QRUGXGKGJVUFOP-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2=CCCC2)CC1	1997104318	JPEBBPIQYANQAT-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](CCC(C)C)NC)CC1	1997117156	PHMRRLJWCPSLFK-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](Cn2c(C)ccc2C)CC1	1997195551	KPXUJAPWCGTABX-CVEARBPZSA-N	233.399	4.711	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@]2(C)CCCC2(C)C)C1	1997340319	FVEBUKGVJSPWSY-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCCC(C)(C)C1)C(C)C	2000175393	CAKRTGRNPUWFAI-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@@H]1CC12CCCCC2	2001260111	SMSLNAIOPXYLJB-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C(=O)[C@H]1[C@H]2CCCCC[C@H]21	2002771711	JDBOTXQLLHEFDG-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCCCC[C@H]1N	2003097638	HLOVHZMOCVMRCA-ARFHVFGLSA-N	239.447	4.891	0	10	BJAE	
CCCC(CCC)CNC[C@@H]1CCC[C@H](C)C1	2004711587	LMJMGSSLVGNZSW-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCc1csc([C@H]2CCCCC23CCC3)n1	2005563969	BPBMIQDXCVLDQA-CYBMUJFWSA-N	249.423	4.924	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@@H](CCC(C)(C)CC)C1	2006623243	HZMGVGFCMROUOK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H](O)C[C@@H](C[C@@H](C)CC(C)(C)C)C1	2006653841	UYTNHFBNOZOIGY-QPSCCSFWSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](CCO)CC1CCC2(CCCCC2)CC1	2008714871	BDQIXKZQHGZWPA-AWEZNQCLSA-N	238.415	4.536	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCCC[C@H]1C(C)(C)C	2009574735	VBPTZICGGWDDGC-NCVJHSOJSA-N	237.431	4.667	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)C(C)(C)CC	2010716524	WPWYJFCGPOZCDX-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@]3(C)C[C@H]23)c(C)cc1Cl	2013052850	OIIRTNMTQIGVHM-UXIGCNINSA-N	249.785	4.557	0	10	BJAE	
Cc1c(C(=O)CC(C)(C)C)sc2ccccc12	2014305587	IIJKBFQBOYPPOT-UHFFFAOYSA-N	246.375	4.829	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2015225892	CDROFVVFOAGFHE-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)C1(CC)CCC1	2015274115	WWDJQBHAZZMIIO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)C1(C)CCCCC1	2015282505	WANUKMZUHWZSBP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)C1(C)CCCCCCC1	2015388497	PCVMEMHHKDEAQX-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](C)CN(C)CCC(C(C)C)C(C)C	2015393929	JEEDRAUXVUIDHK-HNNXBMFYSA-N	241.463	4.673	0	10	BJAE	
CC[C@H]1CC[C@H](C)N1CCC(C(C)C)C(C)C	2015395043	VGDFMQQRUWIDDB-GJZGRUSLSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)C(C)(C)CCF	2016764392	YYVVREZWXVRKTG-ZIAGYGMSSA-N	245.426	4.567	0	10	BJAE	
CC(C)CCCCCNC[C@H]1CC[C@H](C)CC1	2017647869	IWYKAPAJXMMKRU-WKILWMFISA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H](O)CC(C)C)CC1	2017711708	GYCABPSOVITWMW-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@](C)(CO)C[C@H]1CC[C@H](CCC)CC1	2017713585	BGMFTXXPCPAGNM-JYJNAYRXSA-N	240.431	4.782	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](CC)[C@H](C)NC)CC1	2017722215	OMBQUJMAQQJRDX-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)C[C@H]1CC[C@H](C)CC1	2017723829	VODQTEWVHUZTFI-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C)CCC[C@H]1CC[C@H](CC)CC1	2017735664	VQCCPZQRSOWIIL-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CC12CCCCC2	2018128117	VHYMVXGFRJYSCO-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](CC)N(C)C1C[C@H](C)C[C@@H](C)C1	2018185290	WXOYFUUKBPHNIR-KFWWJZLASA-N	239.447	4.712	0	10	BJAE	
CCCC1(C[C@]2(CN)CCCC(C)(C)C2)CC1	2018985322	OQLBIMZZBAFGFY-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC1(C)CCC[C@@H](CCCCCC2CC2)[C@H]1O	2020403387	QKTPLVREWNRSJX-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(O)(C[C@@H]2C[C@@H]2CCC)CC1	2022448672	PVSXEYKIZDUFIO-PYBGIAKNSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1[C@@H](C)CCC[C@H]1CCCC(C)(C)C	2023990376	BRMZSJFRWGMVDS-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@](C)(CN)CC1CC(C)(C)CC(C)(C)C1	2024089226	NRNCEVZJRJAIKD-INIZCTEOSA-N	239.447	4.604	0	10	BJAE	
CC(C)C(N)(C[C@@H]1CCCC(C)(C)C1)C(C)C	2024096482	VBTIOGFVTHOHJR-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C[C@H]1CC(C)(C)CCC1=O)C(C)C	2024124061	OBPPRTYSIRTYBG-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
CC1(C[C@]2(N)CCC23CCCCC3)CCCCC1	2027310870	FQNJQGADTXYLMW-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
C[C@@H]1CCc2cc(CCCC3(C)CC3)ccc2N1	2027838341	YLYBXPGWWYFISQ-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1cccc(CC(C)C)c1	2028227194	AKNHRSISWKDTEL-DLBZAZTESA-N	248.410	4.601	0	10	BJAE	
CC1(CN[C@H]2C[C@@H]2C2CCCC2)CCCCCC1	2028461317	HXDQWHLAXQVMQT-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H]1COc1cccc2ccccc12	2032479227	PXPDHCRTNVTWQD-ZFWWWQNUSA-N	240.346	4.655	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCC[C@H]1C1CC1	2032697501	FZRKWWMDUZOEKD-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)NC[C@]1([C@H]2CCC2(C)C)CC=CCC1	2033573665	WJWJNLSQVVWKFT-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CN[C@@H]2C[C@@H]3CCCC[C@@H]3C2)CCC1	2035864870	QOMISUAQMLKAJR-ZSHCYNCHSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1NC1CCCCCCCCC1	2035887066	STOKYYLPINWJTK-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	2036659398	BPNNPFBXWCIGMY-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	2037172437	VKRKXBLHXJOBFR-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2037593768	QFCDPEXUKMSRRQ-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@]23CCCC[C@H]2CCC3)C1	2037682055	KAINFJVXPJKTBF-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCC2(CCCC2)C1)C1CC1	2037696739	BIZFEZXGCMZEAU-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](CC)CC2CC2)c1	2038363931	SSIDMPHMQAHGSK-MRXNPFEDSA-N	245.410	4.802	0	10	BJAE	
Cc1ccc(NC[C@H]2CC23CCCCC3)c(C)c1	2039057400	FHXZHKJEXMZPET-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2CC3(CCC3)C2)CC1	2039379050	ZCAZGDZVMYUKEZ-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)C1=CCCCCCC1	2039439776	AEMNEZJVIQWIJZ-USXIJHARSA-N	247.426	4.587	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)CCC2CCC2)c1C	2042743514	XHYUQMSZXFEGSP-INIZCTEOSA-N	246.394	4.534	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NCC1CCC=CCC1	2043195509	VDAHXEPYTSOQJB-HNNXBMFYSA-N	247.426	4.601	0	10	BJAE	
CC1CCC([C@@H](N)C[C@@H]2CCC=CCCC2)CC1	2045314117	HAWHYXRSEJEPGQ-MYBQVCMBSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccc(CC(C)C)cc1	2045585942	SPURPPBIWPOGQT-CQSZACIVSA-N	246.394	4.894	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1CC1(N)CCC2(CCCCC2)CC1	2045656842	FKQIEQHUVXVSFQ-FICVDOATSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C)(C)CN1c2ccccc2CC[C@H]1C	2046579939	WKZHKERQZAPJRC-CQSZACIVSA-N	245.410	4.510	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(C[C@@H]2CC23CCCCC3)C1	2047013262	UNEDBUQESNEFJF-BZUAXINKSA-N	249.442	4.502	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CC23CCCCC3)c1	2047052493	NFCGISHINIZSLE-HNNXBMFYSA-N	242.362	4.538	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C[C@H]2CCC23CCC3)C1	2047932600	NPFHOLLWDWCHFV-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)C[C@@H]2C=CCCC2)C1	2049538512	ZJIBWLNRTORUAE-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc([C@H](O)CC[C@@H]2CCC[C@H](C)C2)c1	2050429338	YAJIIXPFXROLNX-JLJPHGGASA-N	246.394	4.635	0	10	BJAE	
CC[C@@]1(C)CCCN(CC2CCC=CCC2)CC1	2051603683	BIFXMTUXJQXUQH-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@@H]3CC[C@H]32)cc1C	2052287391	YMKSEHZARZCYMX-DJIMGWMZSA-N	243.394	4.548	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CCCCCCC1	2052500884	OILIAJMUQQBAEX-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@]1(N)CCCCC12CCCCC2	2055298608	GCTDXCABHPEBCL-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H](CCC(C)C)C2CC2)CCC1	2055553205	XALVHNJMXZUSCQ-DLBZAZTESA-N	249.442	4.680	0	10	BJAE	
C[C@H]1C[C@H](Nc2ccc(CF)cc2)CC(C)(C)C1	2055671909	NDOHHWGUFMSKEU-WFASDCNBSA-N	249.373	4.783	0	10	BJAE	
CCCC[C@@H](N[C@@H]1C=C(C)CC1)c1ccccc1	2055843255	YJHWTUXBQVOPGY-DLBZAZTESA-N	243.394	4.616	0	10	BJAE	
CC1(C)CCC(C)(C(=O)[C@H]2[C@H]3CCCC[C@H]32)CC1	2056537158	UXCLNFUWHMJYMB-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1OCC1CC(C(C)C)C1	2056667262	CIITUBGSKDNWLL-UHFFFAOYSA-N	246.394	4.700	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C=C2CCCCC2)cc1C	2056861767	BVYPDEARYBFEBW-KRWDZBQOSA-N	244.378	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C=C2CCCCC2)CC1	2056872398	CHPZJTILTZGYAN-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H]1CCCC[C@@H]1C	2056880983	CFDODILWBZUNQC-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CCC[C@@H]3C[C@@H]23)CC1	2057356153	BBXUPZQDQXUCPH-MTERUZRBSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H]1[C@H]2CCCCC[C@H]21	2059250078	NGAYHSQVLLMXPW-DDBYYKKRSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H]1[C@H]2CC[C@@H](C2)C[C@H]1NCCC	2059251775	BNSADIROWZOEKJ-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CC(N)(c2ccc(C(C)C)cc2)C1	2059491559	JCWFZBUMMZVCSF-UHFFFAOYSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](CC2CCCCC2)NC)CC1	2061081312	NQXGCNUZDOWDDK-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)CC(C)(C)C2CC2)CC1	2061148566	WDHIPVIGYLZBHT-XJKSGUPXSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CC[C@@]23CCC[C@H]2C3)C1	2061623207	QFAQDCPNZGBSDT-LTIDMASMSA-N	249.442	4.502	0	10	BJAE	
CCc1ccc([C@@H](N)C(C)(CC)CC)cc1CC	2061868465	HMKCNMIWTIWTNC-MRXNPFEDSA-N	247.426	4.638	0	10	BJAE	
CCc1ccc2nc(C(CC)(CC)CC)[nH]c2c1	2061870157	KJMZHQPWZLEAGM-UHFFFAOYSA-N	244.382	4.593	0	10	BJAE	
CCC(CC)(CC)c1nc2c(C)ccc(C)c2[nH]1	2061873858	OSTGRGDOILDCRO-UHFFFAOYSA-N	244.382	4.648	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCCCCC23CC3)[C@H](C)C1	2062016644	ISIWNBGKZWWDQG-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)[C@@H]2CCCCCC23CC3)C1	2062194782	XXCCMNLFUURLKE-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
N[C@@H]1C[C@H](CCC2CCCCC2)CC2(CCC2)C1	2063642917	RNEATLAIRSIVKH-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](C[C@H]2CC23CCC3)C1	2069173352	FLIFDLQSMKPYEI-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC1([C@@H](N)C2=CC[C@H](C(C)C)CC2)CC1	2069521333	KEDAWDUWEPODKQ-HOCLYGCPSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](N[C@@H](C)CCC=C(C)C)c1ccccc1	2070397550	IHSLFRBNFRNBRU-RDJZCZTQSA-N	245.410	4.862	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)C2(C3CCC3)CC2)CCC1	2071950906	RFYUXVJJNYAQIR-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CC[C@H]1C[C@@H]1C	2072090541	JKZZLASXWKCCDJ-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1ccc(C)c(F)c1	2072417674	OSIPGKDOLVAFKX-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CN[C@H](C(C)=C(C)C)c1cccc(C(C)(C)C)c1	2072422353	DDRGBXJDOYXKAS-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)c1ccc(C2CC2)cc1	2072428298	ZAUGVYSMRNALPE-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@]12CCCC[C@H]1C2	2074025184	MSSCLZMODIVCDV-TWMKSMIVSA-N	249.442	4.645	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@]23CCCC[C@@H]2C3)CC1	2074113443	MHSOUKRZZDSGTJ-CPBWPMLKSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(F)c1C(=O)C[C@H]1CCC[C@@H](C)C1	2075976882	NEDJZWMLHLPRKC-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
CCN[C@@H]1[C@H](C2=CCCCCC2)CCCC1(C)C	2076395867	OEFNNCIOZWNOIU-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1ccc(F)c(C)c1	2077189868	MJXOSKBWBHKPNQ-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC=C(CC)[C@H](NCC)C1(C)CCC2(CC2)CC1	2077197478	ZXFGGQDIJUBITL-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C1CCCC(N[C@H]2C[C@@H]2C2CCCCC2)CCC1	2079533130	WEMVCPAKOJEMJF-SJORKVTESA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(NC[C@@H]2C[C@H]2C2CCCCC2)cc1	2079638338	BXGYMYKSBUWHSP-RDJZCZTQSA-N	243.394	4.623	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@@H]1C[C@@H]1C1CCCC1	2079664175	DEBNFTSBELTPET-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC(=O)C[C@H]1C[C@@H]1C1CCCC1)C1CC1	2079862550	HTIOLZOZCNNYCH-XJKSGUPXSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)C1(C(C)(C)C)CCC1	2080239644	HAMRZZMVDXTUPI-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)CC2=CCCCC2)C1	2082979822	QMMZEEWNPJFPAN-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CCCC(C)(C)C2)C=CCC1	2082985985	JXUOCJYUPGPZSD-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](NCCC)c1scc(C)c1C	2210568373	WDLYTYZHCZEVAQ-ZDUSSCGKSA-N	239.428	4.596	0	10	BJAE	
CCc1ccccc1NCc1scc(C)c1C	2213637343	PTUQZADKFRYZNO-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CC[C@@H]1C[C@H]1CCOc1ccccc1C(C)C	2215346114	ODYUOELPHPCMCN-ZIAGYGMSSA-N	232.367	4.625	0	10	BJAE	
CC1=CC[C@](CO)(C[C@H](C)CC(C)(C)C)CC1	2215839683	XJYXLVLRTZFDDL-GDBMZVCRSA-N	238.415	4.558	0	10	BJAE	
CC=CCCC[C@@]1(O)CCC[C@@H](C(C)(C)C)C1	2216255711	FCJQAQGOIDJBLC-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CCC[C@@H]1NCCCCCCCC1CC1	2216870630	KHCDATCJRNLZRA-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CCCC(C)C)C(C)C	2217135564	GPPGRZVXCCOQMA-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CN[C@H](C)CC)C[C@@H]1CCC[C@H](C)C1	2217136579	OXHGSKBMAKXFML-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(C(C)C)C1CCCCC1	2217143070	YVONROIWSPAISG-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@]1(CN[C@H](C)CC)CCC1(C)C	2217157522	TWFZJNCNPUGNBG-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@@H]1C[C@H]1C1CC1	2218727743	WFJUXSYFWUAWLB-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@@H]1CC[C@H]1C	2220517604	BOCFKFZBMOPINZ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@@H](N)CC1(C)CC(C)(C)C1	2221082398	AGRMQUXYONZWNJ-QLFBSQMISA-N	249.442	4.523	0	10	BJAE	
C(CCCCCCC1CC1)=C1C[C@@H]2CC[C@H](C1)N2	2223129715	FWGOYERDTIKIJI-CALCHBBNSA-N	247.426	4.578	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1ccc(C2CCC2)cc1	2223686746	GGBZAJNGNQTKLF-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CC1(CC(=O)c2cccc3ccoc23)CCCC1	2224185008	INGUSKORXDHDGH-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1cc(C)cc(Cl)c1	2244782897	OOEPKBHUNXBASA-FZMZJTMJSA-N	240.774	4.508	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@H](N)C2(C)CCCC2)C1	2246669997	UJSOOUCJAKGLRE-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C(=O)CCCC[C@H]2C[C@@H]2C)CCC1	2247175675	KOEMXTQFWIADPX-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CCC1(C)C	2247397163	GTCHHGQIQQHANG-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@H](SCC1=CCCCC1)c1cccc(N)c1	2247546169	NEQZWAGAKZVTHQ-LBPRGKRZSA-N	247.407	4.563	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](O)CCC(C)(C)C	2248810390	YSIGLBACUCBOAJ-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@H](C)NCCCCC[C@H]1C[C@@H]1C	2248869076	FVEGXEKIBKXVLB-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1=C[C@@H](O)CCC1	2250481456	LUILOGUKCVOOAK-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CC[C@H](C)CCCC(C)C)C(=O)O	2250495699	KXKMJAAZEBZEIF-ZIAGYGMSSA-N	242.403	4.730	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@@]12CCCC[C@@H]1CC2	2251098616	FRTNCAQMDQLZNS-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCCCCC(=O)C[C@]12CCCC[C@@H]1CC2	2251154701	QSMZYIAJXQGAOT-GDBMZVCRSA-N	236.399	4.886	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)C1)[C@@]1(C)C=CCC1	2253771729	LZGHCJMNSGJCND-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(N)(CC[C@@H]2CCCCC23CC3)C1	2253814746	DSFYIQQNXJLCAK-UQPPLGOBSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)CC[C@H]1CCCCC12CC2	2253816182	UDGBQJGNIVQPKJ-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1=CCCC[C@@]1(N)CC[C@H]1CCCCC12CC2	2253837747	GTAPKCIMHPKDRR-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
C[C@H](NCC[C@@H]1CCCCC12CC2)C1(C)CCC1	2253888576	AHRKOAMBLCCACS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](N)CCCCC[C@@H]2C[C@H]2C)c1	2254540118	XDTVBVYDGBYDLR-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@H]1C)[C@@H]1C=CCCC1	2254592690	NXFWYXASOXUAHO-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@]1(N)CCCC12CCCCC2	2255015926	UCEWQGVDSMBJAP-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc([C@@H](N)CCC(C)=C(C)C)cc1	2256295076	ZOZFBSULBZDXDW-KRWDZBQOSA-N	245.410	4.775	0	10	BJAE	
CCCc1ccc(CC(=O)C(C)(CC)CC)cc1	2256312337	LIGYWFWCAKRTBS-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)[C@@H]2CC23CCC3)c1	2256450807	FNAJLCVHJGZQGU-CJNGLKHVSA-N	243.394	4.801	0	10	BJAE	
CNC[C@]1(CCCCC[C@@H]2C[C@H]2C)CC=CCC1	2257279750	DBXSZTCKSOBSFZ-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCC1(CC)CC(NC[C@@]23CCCC[C@@H]2CC3)C1	2260617508	UQENJNFHOYMJBT-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@]12CCCC[C@H]1CC2	2260656194	FOPFODZVSLUXSG-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C[C@H](O)c1cccc(C2CCCC2)c1	2260660238	CVHYUJTVKZZASJ-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@H](N)[C@]2(C)C=CCC2)C1	2261126228	LLKMXELKHNKEIS-OCUYMYNFSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC[C@H]2C[C@H]2CC)CC1	2298128831	SDXBLHAIYJTCLA-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@]12CCC[C@@H]1CC2	2298725257	KMCPUHRNZKTMDI-PMPSAXMXSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](CC(=O)[C@H](C)CC1CCC1)C(C)(C)C	2298905845	UUFDJCDNPFMRQG-OCCSQVGLSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@@H](C)CC1CCC1	2298907169	FTNIBZTYGBPPJN-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@@H](C)CC1CCC1	2298936482	QKRWIHJRNSWELC-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCc1cc2c(C(C)C)ccc(C)c2nc1Cl	2300459838	QSHQHJUMQHIYFU-UHFFFAOYSA-N	247.769	4.882	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CCC(CC)CC	2300688037	JFVMZNJPHUIAIS-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCN(CC=C(C)CC)C1CCCCCC1	2300886848	BFEJRFZCMUGRKR-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N[C@@H]1CCCC(C)(C)CC1	2301686766	XZOLPAYROZTIJK-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1CC=CCC1	2301922927	FJZGGGVMWCATGY-HNNXBMFYSA-N	232.367	4.583	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@H]1CCC(C)=C(C)C1	2303517182	UZCPRNDRNDFUBR-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H](CC1CC1)C1CC1	2303739089	YIKYVPQJTMYCJU-OAHLLOKOSA-N	249.785	4.639	0	10	BJAE	
CCC(CC)[C@@H](O)c1cc(C)ccc1C(C)C	2307501387	OVGUQCYYHVUZDS-MRXNPFEDSA-N	234.383	4.588	0	10	BJAE	
CCC(CC)C(=O)c1cc(C)ccc1C(C)C	2307503477	OMNWKGUILBEOGG-UHFFFAOYSA-N	232.367	4.737	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc(C(C)C)c1F	2307568516	BUHQJOFQZIZYSV-GFCCVEGCSA-N	237.362	4.940	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC)CC[C@@H](CC)C1	2307764430	XCZYFBGQAZBSKH-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](CNC1CC1)C(C)(C)C	2307830721	FFMKCMNONKKNQL-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)[C@@]12CCCC[C@@H]1CC2	2307897568	CIAGTOKVSDMPMR-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CCC[C@@H]2CC[C@@H]21	2309525842	ZYWPKSNCQBXPQO-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC[C@@]12CCC[C@@H]1C2)C1(C)CCC1	2310373793	HIALKUWPJDTWDO-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C[C@@H]3CC[C@H]2C3)CCCCC1	2312876747	DAFNHJIHZQCUCV-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N(C)C1CCC2(CCC2)CC1	2313601349	XUDQNBMUDQFQKW-CQSZACIVSA-N	249.442	4.610	0	10	BJAE	
N[C@H](CC1CCCC1)CC(CC1CC1)CC1CC1	2313605782	YWDBDSYEQXBINB-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(C1CCC1)C(CC1CC1)CC1CC1	2313659601	GGQRZTJNPAKUAR-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1C[C@H]1C(C)C	2315874306	HUNYVHCDQMPUKV-HOTGVXAUSA-N	245.410	4.822	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@]1(C)C=CCCC1	2316501654	HUEZKOSGAKABRB-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2316502129	JMCFBXHMRWXLDJ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@]1(CNC)C[C@H]2C=C[C@H]1CCC2	2316769550	JXFIOVMKKTVVFD-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
NC1(CC2CCCCCC2)C[C@@H]2CCCC[C@H]2C1	2316884855	NDZWSRDEMWGEJX-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)[C@H](C)C(C)C)cc1C	2317664645	MVKXLZQDXWBODJ-PMPSAXMXSA-N	247.426	4.635	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@@H]1C[C@@H]1C(C)C	2317978456	BPJMIDWUNBNCQY-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC)c1ccc(CCCC(C)C)cc1	2318388943	HYMAHZWHQRZVIV-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CC([C@](C)(N)CCCC2=CCCCC2)C1	2318535331	VTFYAZWMCPZEQW-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCC1(C)CC(CNCCCC2=CCCCC2)C1	2318569921	ULPBXQYXMHUTBI-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](CCCC1=CCCCC1)NC	2318592256	HAKPXQHNKPJIEH-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)C2(CC3CC3)CCC2)C1	2319035774	ZMZHZOOKFQLIDL-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@H]2C[C@@H]21)C1(C)CCCCC1	2319340256	KBQZVGODZPXJEA-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@H]2C[C@H]3C[C@@H]2C3)cc1	2319363179	OWARJXATFBDPTK-LUYZLQTOSA-N	243.394	4.658	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(N)C=CCCC1(C)C	2320240021	JHSJEOSYKSKOOS-JJRVBVJISA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)C1(CC2CC2)CC1	2320251654	BTJRCKPSTJLFKG-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@]1([C@H]2CC2(C)C)CCC(C)=C(C)C1	2320388178	NQKKECFVASGUSM-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCc1cc(F)cc(NC[C@H]2CCCC[C@@H]2C)c1	2321089568	PBQDLTWCMCYNEM-GXTWGEPZSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)C=CCCC2(C)C)C1	2321605326	KTLXYNQMFGKYHN-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](CCC2(N)CCC3(CC2)CC3)C1	2321641888	JDSJQRPHNFRMFC-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)C[C@@]23CCC[C@@H]2C3)C1	2321642856	SBAACUGFBPNDPX-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)CCc1ccc(C)cc1	2328267498	BJCOAIFLXITRAF-RDJZCZTQSA-N	248.410	4.505	0	10	BJAE	
CCCc1ccc(N[C@H](C)CCC(C)C)cc1	21060496	NUVKPTXNJJZIKY-CQSZACIVSA-N	233.399	4.876	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@H](C)C2(C)CC2)cc1	37044562	VGTBLGACTNITQO-ZIAGYGMSSA-N	245.410	4.649	0	10	BJAE	
C1CCCCCCCNCCCCCCC1	62722024	PWFBKQRZKAMJAX-UHFFFAOYSA-N	225.420	4.661	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCCC)C(C)C	71085261	UVTWTNNRNGKWHO-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc3[nH]ccc3c2)C1	71106774	PRNKCOGFAFYPJG-OCCSQVGLSA-N	242.366	4.549	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)[C@H](C)CC	87399035	USXINQUXBJRAIE-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](N)CCC(C)C)cc1	90483069	LHTBEGPXYDICEA-INIZCTEOSA-N	247.426	4.810	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)c1cccc(C)c1	109725551	ZDNNTPMJYCTIHD-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
CCC[C@@H](CC)NCc1cccc2ccccc12	109945094	PXMSCMYDIKORLL-MRXNPFEDSA-N	241.378	4.508	0	10	BJAE	
CCC1([C@@H](O)c2cc(C)c(C)cc2C)CCCC1	125299604	LFEBVXMKRFBCIA-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
CCCNC[C@H](CCCC(C)C)c1ccccc1	130527446	GYZMXSAPDVVHCK-KRWDZBQOSA-N	247.426	4.596	0	10	BJAE	
CCCCC[C@H](NC)c1cccc(CC(C)C)c1	131834369	UOKDOEPMTREPRG-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCc1sc(C(C)(C)C)nc1-c1ccccc1	147341986	DTDRSDPVAXQALV-UHFFFAOYSA-N	245.391	4.670	0	10	BJAE	
Cc1ccc(O)c(C2CCCCCCC2)c1	149538219	GRSQKEYWVYGWPG-UHFFFAOYSA-N	218.340	4.529	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)CC(CC)CC	161370161	KJAMQZUIILCZNY-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CNC(C)(C)C)C(C)C	164420810	YHWCNOMDPYVKBE-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CCCC[C@@H]1CC	166739693	KKPOQQIHRCUZHW-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@H]1CCCC[C@@H]1CC	225110037	RPZNGHLVJQYOKJ-XIRDDKMYSA-N	245.410	4.554	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@H]1CCCCC1(C)C	226552896	UPSNLJVHBXVBOQ-CVEARBPZSA-N	245.410	4.554	0	10	BJAE	
CCc1cccc([C@@H](N)C[C@@H](C)CC(C)(C)C)c1	228846698	IJVGFMFEYYTGCT-CJNGLKHVSA-N	247.426	4.711	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@@H](C)CC(C)(C)C)NCC	233347081	DSDLNNVLRWPSMO-ILXRZTDVSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CC[C@@H](c2c[nH]c3ccc(Cl)cc23)C1	235386701	ROYBLLOOLQGMLD-NXEZZACHSA-N	233.742	4.725	0	10	BJAE	
C[C@H]1CCC[C@@H](c2c[nH]c3c(F)cc(F)cc23)C1	235724347	MLFCYSGONXRQBD-VHSXEESVSA-N	249.304	4.740	0	10	BJAE	
C[C@@H]1[C@@H](Nc2ccc3ccccc3c2)CC[C@H]1C	252166567	QNRFIHJIJCXVOQ-IGCXYCKISA-N	239.362	4.686	0	10	BJAE	
C[C@@H]([C@H](O)c1cccc2ccsc12)C(C)(C)C	302402874	HMVUJHAZIVHRCX-GWCFXTLKSA-N	248.391	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCc2cc(N)ccc21	302668262	ZZLZQOLPBBHKEE-UONOGXRCSA-N	245.410	4.905	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@H]2/C=C/CCCCC2)C1	305930707	DHBRVBUNEDENRY-VCDNTFEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1cccc2ccsc12	305937697	QMCLCYRVBCMXMN-ZDUSSCGKSA-N	247.407	4.727	0	10	BJAE	
CSc1cc2c(Cl)c(S)ccc2s1	307093662	STRVMZARQWGXQW-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CSc1cc(C)c(Cl)c2ccsc12	307161036	FOXLFVWHBLWMOV-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Clc1ccc2sc(Cl)c(Cl)c2c1	307216264	TXJJDRLIBPEDJJ-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)c1ccccc1CC	310880053	VOGQPRWCNANYHC-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CNCC1(CCCC(C)(C)C)CCCCCC1	316817809	OZPKZSJCRABDNC-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCNC[C@]1(CC(CC)CC)CCC[C@@H](C)C1	317213055	AVRGRNDZYFEXGT-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C1CCC1)C1CC1	324986347	UWXVWEQVYGQWNL-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCCC12CCCC2	328134003	XKVIHMUIGURKPN-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
CC(C)c1cccc(NC[C@@]2(C)CCCS2)c1	383079113	SRXDSCMTHSLVCO-OAHLLOKOSA-N	249.423	4.508	0	10	BJAE	
CC(C)c1ccccc1[C@](C)(O)C1CCCCC1	386232262	ATGCVYAMVQQNNV-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
C1CCC(CC[C@H]2NC[C@H]2C2CCCCC2)CC1	395230882	VTQOQEBWMPEBDD-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CCc1csc2c(C)ccc(C(F)(F)F)c12	396294067	BPYMPNCGZIXIBJ-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCc1ccc2sc(C(F)(F)F)cc2c1C	396312600	YTIJTYDNJJJILU-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)C[C@H](C)CC	402346776	QEEGDYBPZBJPAH-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(=O)CCC(C)(C)C1CC1)C(C)(C)C	405859752	CKGYEKNATAGCLA-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](C)Oc1cccc(N[C@@H](C)C(C)(C)C)c1	687694108	CYPKBYCULQYDJW-OLZOCXBDSA-N	249.398	4.710	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](N)c2cccc(C(C)C)c2)C1	688936598	BOVOINDLZKJVCS-KBRIMQKVSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@H](c1cccc(C(C)C)c1)[C@H](C)CC	688950556	MLQODMUIZISGSY-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
CCC[C@H](NCC)[C@@H]1CCCCC[C@H]1C(C)C	691102580	KVDYBGIDRGIHBC-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1cc(C)ccc1F	691134145	GCDHSVQYSBGFRR-ZFWWWQNUSA-N	249.373	4.905	0	10	BJAE	
CCc1cc(N[C@H]2CCC23CCCC3)ccc1C	694406630	ZBQLBWIODFQWLJ-INIZCTEOSA-N	243.394	4.692	0	10	BJAE	
CCN[C@H](CC(C)C)[C@@H]1CCCCC[C@H]1CC	695101146	MXBHPMVEPCMCKA-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](NCC1CCC2(CC1)CC2)C1CCCC1	695731867	VJYQRFYPDDOPGN-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](C)(CCC(C)(C)CC)CNC1CC1	696676670	DCIRWIDJNDUXDV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H](C)[C@@H](O)c1ccccc1	696779118	CUSOLBFMRHHYMM-DZGCQCFKSA-N	234.383	4.573	0	10	BJAE	
CC(C)=CCC[C@H]1CCCC[C@@H]1CNC(C)C	697774367	NDWYOFXVKGJNSC-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](NCCC1(C)CC1)c1ccccc1	698060160	HSVITOUBANDXEJ-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)C1CC(C)(C)C1	701462666	PJFMYLFGZWIKGZ-MRXNPFEDSA-N	245.410	4.507	0	10	BJAE	
CSc1ccc(NCCCCC(C)C)cc1	703986514	GJNDNAFPVVKKQU-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C1CCCCCC1	704823421	GKEYNDUYKWCWPU-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(C)(C)CCNC(C)(C)C	704862674	ZECJRIOTMWASDG-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(O)CCCCCC1	709247568	LGEHJZQEQMNYFK-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1cccc(C(C)(C)C)c1	709466771	QVOSBVJTKQTMMH-CZUORRHYSA-N	248.410	4.844	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1CC12CCCCC2	709727261	RLERKECEYAVYBX-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCc1ccc(N[C@H](C)CC2CCCC2)cc1C	709759366	XVBAILOKYQBAOI-CQSZACIVSA-N	245.410	4.938	0	10	BJAE	
CC1(C)CCC(N[C@@H]2CCCC[C@H]2C2CC2)CC1	710135104	CRJCTKKYFNEOKA-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@](C)(N)CCC(C)(C)C)C(C)(C)C	710810394	AHXQHVUBHPLGHR-IUODEOHRSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1C[C@H]2CC[C@H](C2)C1	710869925	GZNIUECURIBNJY-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1cccc(C(=O)C23CCC(CC2)C3)c1	710935721	FVGBIQMNFOXISV-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC(C)c1ccc(N[C@H]2C[C@@H]3CCCC[C@@H]32)cc1	712392918	AHROJUKROWHOBP-XIRDDKMYSA-N	243.394	4.801	0	10	BJAE	
C=C/C=C\CCC[C@H](CC)CC(F)(F)F	713667542	BAAGNMMVVVHMAQ-GZTOBOFZSA-N	220.278	4.878	0	10	BJAE	
O=C(C1CCCCC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714432750	GGWMUUOELVGCHJ-NUEKZKHPSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)C2CC3(CCC3)C2)C(=O)C1	717634329	CUSCZMWWXPREKW-TZMCWYRMSA-N	248.410	4.598	0	10	BJAE	
CNCC1(CCC2CCCCC2)CCC=CCC1	718120364	VKPIOSXIFAJRAY-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)c1ccc2ccc(Cl)c(Cl)c2n1	722198752	JGVAIJPABTYKTG-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CC1(C)CC(C[C@H](O)C2(C)CCCCCC2)C1	723578408	GTOAEAXEFCSZEE-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
C=C/C=C\CCCc1ccc(Cl)c(C)c1	1083058302	IOKQONYEHYXFEG-PLNGDYQASA-N	220.743	4.713	0	10	BJAE	
CC(C)C[C@@H](C)CSc1cc(F)ccc1F	1165320617	GKMYYNUOJCDOLZ-SNVBAGLBSA-N	244.350	4.739	0	10	BJAE	
CCC[C@@H](C)CCNCc1cccc(C(C)C)c1	1179468580	HUFHWPDTNSUEOK-OAHLLOKOSA-N	247.426	4.726	0	10	BJAE	
CC(C)(C)CSC[C@H]1CCCCC1(F)F	1643920908	HBGLMTAVBDJVQJ-SNVBAGLBSA-N	236.371	4.591	0	10	BJAE	
CC(C)Cc1ccc(CN(C(C)C)C(C)C)cc1	1645015445	GNDHMTXSDMRVCD-UHFFFAOYSA-N	247.426	4.504	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@@H](C)C2)c2ccccc2c1	1659246621	FWNXOZOIEGQYJP-DOMZBBRYSA-N	239.362	4.749	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCCC[C@@H]1C	1900694771	BTWCTVOKLHBLDA-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H](C)[C@@H](C)C(C)C)c1	1901712261	XGRLVCTVIAXWLB-NWDGAFQWSA-N	239.790	4.741	0	10	BJAE	
CC(C)C(C)(C)c1nc([C@@H]2CC2(C)C)cs1	1901907496	GMKYUCQTXCURMP-JTQLQIEISA-N	237.412	4.590	0	10	BJAE	
CC1CCC(c2nc([C@@H]3C[C@@H]3C)cs2)CC1	1905258069	KNPMCHRWKWWKJK-POSLAHMBSA-N	235.396	4.560	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CC(C)(C)C1CC1	1905449491	LHQVMOWQMKGJOZ-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@@H]1CCCC(C)(C)C1	1910808995	FHKHOINKFFCUJC-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCCCc1cccc(Cl)c1F	1911783648	OLORZKSOADXING-UHFFFAOYSA-N	224.706	4.544	0	10	BJAE	
C=CC=CCC[C@H](NCCC)[C@H]1CCCC1(C)C	1911994578	QAVVKXFDALAZAI-CVEARBPZSA-N	249.442	4.703	0	10	BJAE	
CC1(CC(=O)C2CC3(CCCCC3)C2)CCCC1	1912640071	GFXWHLLUMIOGRK-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCC2(CCCC2)C1	1916429859	HMLRAKNRDQHCES-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@@H]2CCC3(CCCC3)C2)C1	1916439549	AHWQWZCVZJKLHH-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCCN[C@H]2CCC3(CCCC3)C2)C1	1916442182	KIALDXYVYZVPJN-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCc1ccc([C@](C)(O)C(C)(CC)CC)cc1	1920032112	YZUYXEVJVUOQDP-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1CC[C@H](C)[C@H](C)C1	1920182692	MEDIRDZRTNNKCT-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CC[C@@](N)(c1ccc(C)cc1)[C@@H](C)CCC(C)C	1920492048	SMOWFLLXJMUTKP-RDJZCZTQSA-N	247.426	4.631	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C1CC(C(C)C)C1	1921265848	FVJIQXJAWRPRPS-OFLPRAFFSA-N	249.442	4.559	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)C1CC(C(C)C)C1	1921267010	SDRPBTFTNXYCQJ-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC([C@H](CCC(C)=C(C)C)NC)C1	1921306860	WQOARBLVNMWDQM-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@H]1CC2CCC1CC2	1925787690	YNNLAOKNKJZCFW-PRLABOORSA-N	246.394	4.518	0	10	BJAE	
CSc1cccc(NC[C@@H]2C=CCCCC2)c1	1925917268	LEICBHZPVDBQGY-CYBMUJFWSA-N	247.407	4.567	0	10	BJAE	
CCC(CC)C[C@@H](CCCC(C)(C)C)NC	1926381823	LTMMYCNSOKFSEK-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)C[C@@H](NC)C1=CCCCCCC1	1926382063	NOVRHPILZPDQMR-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC1CCC(CC[C@H]2C=CCCC2)CC1	1932604354	MPHJJLCLYMUUDN-SLTAFYQDSA-N	206.373	4.949	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C[C@H](C)C(C)(C)C	1937169673	RLBJRJUPEPUJJU-OLZOCXBDSA-N	226.404	4.700	0	10	BJAE	
C[C@@H]1CC(c2nc(C3CC3)cs2)C[C@@H](C)C1	1937456935	GXVCIPHVRAUEKW-UWVGGRQHSA-N	235.396	4.560	0	10	BJAE	
CCCC(CCC)[C@H](O)c1cscc1CC	1938825024	HGTOGYZKFSYYIN-AWEZNQCLSA-N	240.412	4.560	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CC1(C)CCCCC1	1940383859	WFWMHMPURGKZOO-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](O)CC2(C)CCCCC2)C1	1940411684	XZVGXBIGINCDNC-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC[C@H]1CC1(C)C	1940855689	INYFMOCBEQPJSU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C(=O)CCCC1(C)CC1)C(C)C	1941264302	QWGZNNVBQKCUGW-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)[C@H](C)CCC(C)C)C1	1942652897	LVBCLMLUXNNDEH-LVQVYYBASA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CNCC(C)C)[C@H](C)CCC(C)C	1942658839	QIAVEOGIHPFIDL-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(C(C)C)CCCCCN1	1942659745	JKHIHQRJKMGHFI-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(=O)C[C@H]1CCC[C@H]1C)C(C)(C)C	1944796791	IFJADCXDGHAGKL-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CC1CCC(C)CC1	1948328895	XBTRRVJGRABIOB-BHDPWAOGSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CC[C@H](C(C)C)CC1	1948429085	OTFMXXCITCOFDQ-BZUAXINKSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(CC)[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	1949086932	WIYQLORXJQAWTI-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@](C)(O)[C@H]1CCC2(CCCC2)C1	1949454776	ZLTHYVQSWKXUMO-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@]1(CO)CCCC(C)(C)CC1	1950909682	ZEIXBXYPPMJTCU-SQWLQELKSA-N	240.431	4.638	0	10	BJAE	
CCC1(C)CC(NC2C[C@H]3CCCCC[C@@H]3C2)C1	1966053217	NYIYCHORCQZTGK-QBBMROGASA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)CNC1CC(CC)(CC)C1	1968237936	QGQRYRDRXZSMOU-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC3(CCC3)C2)c(F)c1	1968326658	LMWASNCMFGPDTG-ZDUSSCGKSA-N	247.357	4.659	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1CC[C@H](C)C1	1968350533	UYOQQOQFLCRYMA-DZGCQCFKSA-N	246.394	4.933	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCC2(CCC2)C1	1968860521	ZJSYJPFCJVJWRE-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@H]1NC[C@H]1CCCCC12CCC2	1969961384	JYHDVXLNTXNRIE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CC3(C2)CC(C)(C)C3)C1	1970282341	TYDKKUDODXEBEN-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(CN[C@@H](C)c2ccoc2)CC1	1970469000	ZTQROJLILPHQSN-NFOMZHRRSA-N	249.398	4.537	0	10	BJAE	
CCC1(CC)CCCN(C[C@H](C)C(C)C)CC1	1972283959	UFXAQJRANRULPE-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CC[C@@H]1N[C@@H]1CCCC2(CCCCC2)C1	1972322016	DFWHUPMNAKGRRQ-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCc1ccc(C(=O)C(C)(CC)CC)s1	1985608854	GNCPNKCINPHASZ-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CCCCC(C)(C)N[C@H]1CCCC[C@H]1CC	1987100877	BMDSVWQTVFLZRU-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@@](C)(N)CC(C(C)C)C(C)C	1988319870	WXJYZIAPIOKTCT-OAHLLOKOSA-N	227.436	4.602	0	10	BJAE	
CCCCC[C@@H](N)CC1CCC(CC)CC1	1989811842	JIDQZGDZZKSNHN-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CCN(C)C1C[C@@H](C)C[C@H](C)C1	1995759487	QCZMWQZNJCXYDM-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CC=C[C@H](NCCC)[C@H]1CCC[C@@H](CC)CC1	1997102155	CVAQRXTYPSAVTN-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@@H](N)[C@]1(C)CC=CCC1)CC(C)(C)C	1997555061	XFSGIGZOMCDBNI-IIAWOOMASA-N	237.431	4.523	0	10	BJAE	
CC(C)CCCCCC1(O)[C@H]2CCC[C@H]1CC2	1997556182	MVTJBPCCTAIOED-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](O)CC2CCCCC2)C1	2000029649	ZQIACRAAFXHTAY-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCC(=O)[C@@H]1CCC2(CCCC2)C1	2000197479	ZQOVSKQXXHJJFP-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC(=O)C1(C)CCCCCC1)CC(F)F	2000213600	LSIXHXWHMNKLQO-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)c1ccc(NCC2(F)CCCC2)cc1	2001388987	MGEUWHBODXHHRX-UHFFFAOYSA-N	235.346	4.504	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCCCC(F)(F)C1	2003177538	YCDMCZLMQOZUJS-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC(C)=CCC(=O)c1ccccc1C(C)(C)C	2004196273	FPSHUAAPONUROJ-UHFFFAOYSA-N	230.351	4.523	0	10	BJAE	
CC[C@]1(C)CCCN(C[C@H](C)CC(C)C)CC1	2004338367	CRUKFZYQZTURFU-HZPDHXFCSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H](C)C1(C)CCC1	2004822088	MXXQUWVEVKGABX-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCCC)C1CC=CC1	2005752196	DXQCLKXYCHNLOI-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)C=C1CCCCC1	2007969683	VIBROTHUXFISCY-INIZCTEOSA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H]([C@H]2CCCC(C)(C)C2)CC1	2009412135	VSMKRNOYQLJIGM-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCCC1CC(N(C)CCC(C)=C(C)C)C1	2009781872	SAJGWBHQSVAGRS-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@H](CC)CC(C)C)CC1	2010749025	PUUOUBRCVTVELW-FMKPAKJESA-N	237.431	4.523	0	10	BJAE	
CC[C@](N)(CCC[C@H]1CC1(C)C)CCC(C)C	2013297055	PYSBNXLIIPRJPA-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC[C@@H](CC2CCC(C)(C)CC2)N1	2013522999	ZALJDBZASPNOFT-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@@]2(CN)CCCC[C@H]2C)CCC1	2015643959	IFMCMZPCGMUUTJ-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCCC(C)=C1C	2016144079	IGQJMCORFQORGR-GOEBONIOSA-N	235.415	4.600	0	10	BJAE	
CCCC[C@@H](NCCC)C1(C(C)(C)C)CCC1	2017130974	JLOUVXMCCHUOLX-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)c1cccc2ccsc12	2017244026	HLHYXTXGOXCEDS-PWSUYJOCSA-N	244.359	4.520	0	10	BJAE	
CCCC1CCC(C[C@@H]2CC[C@@H](C)C2=O)CC1	2017772104	NQCCDWZLRGNPGT-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@H]1CC[C@H](CC)CC1	2017773565	CDRAMZKHFLNRHC-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1C[C@H]1C1CCCC1	2018130232	NFASSNAGUYIAGD-JYJNAYRXSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H](CC)CC(F)F	2018135140	VYUOJUVGXWWAOV-OCCSQVGLSA-N	249.389	4.746	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1C[C@H]1C(C)(C)C	2018141502	PKIKFYBRSIUCLG-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@](N)(CCC)[C@H]2CC2(C)C)CC1	2018975789	PZMDDFLGFVKMSX-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)N1CCCCC12CCCCC2	2019386142	RJECOQNSDFZHGP-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCC)C(C)(C)C1CCCC1	2020968605	WQWBOEMRHYGYRY-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1C[C@@H]1C(C)C	2022388509	RDSSQTIWOCDRJG-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H]1C[C@@H]1CCC	2022392099	XQYRPXWVJUUILH-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H]1C[C@H]1C(C)(C)C	2022592375	XTNFHEUNKBHHSO-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C1CCCCCC1	2026141081	FCBMEZFLMICNCM-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
C[C@@H](CC1CCC(C)(C)CC1)c1ccc(N)cc1	2027938266	DASCPCDXDFRZJS-ZDUSSCGKSA-N	245.410	4.979	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)[C@H](CC(C)C)C(C)C)c1	2028235553	QPLYKEVUVZBJAX-IAGOWNOFSA-N	248.410	4.655	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)c1cc(C)c(C)cc1C	2028251697	IQLYLSVPNVFPQY-RDJZCZTQSA-N	247.426	4.684	0	10	BJAE	
CCN[C@H](c1ccc(CC)cc1)[C@H](CC)C(C)C	2028252778	QUVZKVNRTIEURF-IAGOWNOFSA-N	247.426	4.582	0	10	BJAE	
CCc1ccc([C@H](N)[C@H](CC(C)C)C(C)C)cc1	2028266214	UPLCOGJJIHQCBZ-SJORKVTESA-N	247.426	4.567	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)c1ccc(C2CC2)cc1	2028593512	NGDIPPRQGJTMNL-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
Cc1ccc(C)c(C(=O)CC2CCC=CCC2)c1	2028872259	CCKANSRLFQISDG-UHFFFAOYSA-N	242.362	4.623	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C(C)(C)C1CC1	2028872968	QETIAMKMQVTSGJ-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(=O)c1ccc(C2CC2)cc1)C1CCC1	2029072549	XTLXHTVXJWRALK-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](N)c1ccc(C2CCCC2)cc1	2031745292	KVAFJVZYGZTBHU-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
C[C@H](Nc1ccc(C2(C)CC2)cc1)[C@H]1CC1(C)C	2032242497	IGZLAFMRIBCSAC-SWLSCSKDSA-N	243.394	4.585	0	10	BJAE	
CC1CCC(Nc2ccccc2C2(C)CC2)CC1	2032242550	JAGWBSFOTNCZNA-UHFFFAOYSA-N	243.394	4.729	0	10	BJAE	
C[C@H]1CCC[C@@H]1COc1ccc(C(C)(C)C)cc1	2032477417	BORLFYXJFOUFBC-UONOGXRCSA-N	246.394	4.799	0	10	BJAE	
CC1CCC(CC(=O)C2C[C@H]3CC[C@H](C2)C3)CC1	2033100784	NRDXKHLIJZUCPI-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CC[C@H]2CCCC[C@@H]21	2034255846	FWQSFQODZPFQFR-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CCC[C@@H](C)C1	2035587033	BGSUFMWVXAGJIS-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)C[C@@H]2C=CCCC2)[C@H](N)C1	2035597799	HRXZCNWBGGBKBC-LVQVYYBASA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCC1)C(C)(C)C1CCCCC1	2035602221	RGWXEDYBIXQRJT-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1cccc(C2CC2)c1	2036352333	NDWNZBFCJDKDOR-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@](O)(C1=CCCCCC1)C2	2036664007	HNSLZCQHXWVRHL-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@@H](N)CCCC(C)(C)C)c1ccccc1	2037104569	ANSCRQVQSDREQU-ZBFHGGJFSA-N	247.426	4.724	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCC2=CCCCC2)CC1	2037171195	CRCSWGBMJWFPJD-RDJZCZTQSA-N	249.442	4.955	0	10	BJAE	
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CC(C)(C[C@H](N)[C@H]1CCC2(CCCC2)C1)C1CC1	2037706980	ZMJJRZMQLJKZIV-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCCC[C@@H]21)C1(C)CCCCC1	2039859740	OOHFMBWDMMDAKU-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC1(C)C)C12CCC(CC1)C2	2039866423	YJHUDARALYHTKF-GJEMEMOUSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@]1(N)CCCC2(CCCCC2)C1	2040765156	MOKDUWKUIRKQSW-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H](C)c2ccoc2)CC1	2041500030	RPXNMUSLELJIRB-IIAWOOMASA-N	249.398	4.679	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC[C@]2(C)CC=CCC2)C1	2042072228	NNQPSGWOXHCOBA-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@H]2CCC3(CCC3)C2)CC1	2043605555	MGQUJSRWSOZENL-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2CCC=CCCC2)c1	2045328516	FXSVHEJQCKCOGT-MRXNPFEDSA-N	243.394	4.852	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@@H]2CCC2(C)C)cc1	2045584111	CSTNSGLIEZZFBX-HNNXBMFYSA-N	244.378	4.504	0	10	BJAE	
CC1(C)CCC[C@@]1(CN)C[C@H]1CC12CCCCC2	2047013848	YCNLGBSXFBLSTC-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@@H]1CC12CCCC2	2047016508	PGZJBLUKVPPPDC-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047428544	ZNJBNFZJUBMJIQ-HRCADAONSA-N	248.410	4.908	0	10	BJAE	
CC1(CC(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048364898	CQSMCAIMGYUEES-FOLVSLTJSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2CCC[C@H](C)C2)c(C)c1	2049537973	WCCNXYPWKGEHKJ-MAZHCROVSA-N	245.410	4.930	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2CCC3(CC2)CC3)C1	2049948548	QSNQBDUETWTALY-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](N[C@@H]1CCC[C@@H]2CC[C@@H]21)C1CCCCCC1	2052286967	RLPLQGLHYIBUPT-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CC(C)(C)CC[C@H]2C)CCC1	2055547205	RVGBPCOTJGXYRR-FVQBIDKESA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C[C@H]2C=CCCCC2)[C@@H]1C	2055615383	LNMCYXYVUFYAQE-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC1(C2CC2)CCCC1	2057649670	XWGAEGPUIBFUGC-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC([C@@H](N)C2=CC[C@H](C)CC2)CC1	2060926896	UQRGKTGHUDYYID-DXCHVLGVSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H]1CCCC[C@@H]1CC	2061560343	FASCGVXAGGIGGR-ULQDDVLXSA-N	249.442	4.692	0	10	BJAE	
Cc1ccc(NCC2C[C@H]3CCC[C@@H]3C2)cc1C	2063472116	RAFNZFUJAUIPSA-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
CC(C)c1cccc([C@@H]2CC(=O)CC(C)(C)C2)c1	2063717931	TZLPOPBKUOMOFT-OAHLLOKOSA-N	244.378	4.673	0	10	BJAE	
CN[C@@H]1C[C@@H](C2(C)CCCC2)C12CCCCCC2	2067498498	MMBWPZDLYMWLJW-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1C[C@H]2CC[C@@H]2C1)CC1CCCCC1	2068697342	AWVZYCUFKJPNLH-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
NC1(CC2C[C@H]3CC[C@@H]3C2)CCCCCCCC1	2068770751	QOCJPALMESDSKI-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCCC1([C@@H](C[C@@H]2CC23CCC3)NCC)CCC1	2069181275	DYJGJNULZZTORJ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCCC[C@@H]1C1CC1	2070409087	RYZCHMASAUIAAB-USXIJHARSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)[C@H]1CCCN1[C@H]1CCC2(CCCC2)C1	2071963226	UDMWMMQHMKIHNK-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1CCC2(CC1)CC2	2072424112	KEZGCNFSVCTEMR-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](C)CC1)[C@@H]1C=CCCC1	2072807340	VBDRAZUOAGXQRT-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCC3(CCC3)NC2)CC1	2072811363	DEIUPFDZQHHCAN-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@]12CCCC[C@H]1C2	2074094110	JOBSNOVAJCPGMD-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)c2cccc(C3CC3)c2)CC1	2074568931	MCHDGFCBZKOYDV-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCCC1(C[C@H](N)c2ccc(C(C)C)cc2)CC1	2074569252	PUFBEFLJQKKXHO-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1	2074596397	APFSYRKEDXOUNL-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)C12CCC(CC1)CC2	2074647840	BZAMXHZOVSGYTI-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)[C@@H](C)c1ccccc1	2074779242	BBVDMHOPMOYGHH-RDJZCZTQSA-N	247.426	4.894	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N(C)[C@@H](C)c1ccccc1	2074793804	AXRSNSJMIOEKMR-BHYGNILZSA-N	245.410	4.504	0	10	BJAE	
CCC[C@H](C)CN1CCCC[C@@H]1c1ccc(C)o1	2075086292	KUAZFIISULQIKV-DZGCQCFKSA-N	249.398	4.551	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1cc(C)cc(F)c1	2077189675	KJGSXCIDPBGSEP-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1C[C@H]1C1CCC1	2079347402	YPEBYFSPJNSRFQ-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2C[C@H]2C2CCCCC2)CCC1	2079831250	IOLHXGPMQGREAW-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC[C@H]1C[C@@H]1C1CC1	2081791071	BRDLMWUGJPYQFQ-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cccc(C(C)(C)C)c1	2083551407	YDRXYWNLNIBILV-XJKSGUPXSA-N	248.410	4.844	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@H]2CCC[C@H]1C2)C1CCCC1	2086212831	VVDLGHWBEHYXMJ-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H](NCC)c1scc(C)c1C	2210575840	BVVUHNHKZUDJCZ-ZDUSSCGKSA-N	239.428	4.596	0	10	BJAE	
CCCCC[C@](C)(N)CC1(C)CC(C)(C)C1	2211646975	DOCPCJVCIUUDIX-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)C(CC)CC	2212585770	FYSMNDHIJWWNRX-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)CCC(C)(C)C	2212598224	UGWUZCQPKHQJGS-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
C[C@H](C[C@H](O)CCCCCCC1CC1)C1CC1	2213574141	PTYJFJCLJXSRTM-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NCCCCCCC1CC1	2213583361	RDTZHOOTBSREGT-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
FC1(F)CC12CC(C/C=C/c1ccccc1)C2	2213824980	NJNGMNSTCIJQHN-QPJJXVBHSA-N	234.289	4.525	0	10	BJAE	
CC[C@@H]1C[C@H]1CCN(C)[C@H](CC)CCC(C)C	2215366567	XOIMVMYKLAFVKX-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](O)CC2(C)CCCC2)C1	2215383760	CGWPGOHJWWVCSP-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)CC1(C)CC(C)(C)C1	2215395911	NPKQGKWVENEOHY-OLZOCXBDSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](c1cccs1)[C@@]1(C)CC=C(C)CC1	2215816926	KOVGVDVDRLCLAC-CABCVRRESA-N	249.423	4.535	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218327780	MZBDQQHIMQCOBT-HOSILWTGSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218377288	DWGNHYALGYYINY-YXWQFLTLSA-N	248.410	4.598	0	10	BJAE	
C(CCC[C@@H]1CCCNC12CCC2)CCC1CC1	2218728749	XHYOZPQZCNLUHY-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
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CCCN[C@H](C1=CCC(C)(C)CC1)[C@H]1CC[C@@H]1C	2220520920	LSLNDPYEPSXYLC-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)C2(C)CC3(CCC3)C2)CCCCC1	2221003563	DCBYSQKHDCBOKS-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@]2(C(C)(C)C)CCCN2)CC2(CCC2)C1	2221015526	WZVVEDVZKASVPU-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](C)CC(N)(CC2(C)CC3(CCC3)C2)C1	2221041729	UEEVLOZEEJBBHU-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@@H](CN[C@@H](CCC(C)C)C2CC2)CC1	2221668827	RJDCRIGAZDZEMU-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)c2c(C)cccc2C)CC1	2222008478	GDOHJEJXFLSACC-ZOBUZTSGSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc([C@@H](N)CCCCCCCC2CC2)o1	2223108996	LQBXARPUTAMJKF-HNNXBMFYSA-N	249.398	4.729	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@]1(CNC2CCC2)CC=CCC1	2223546457	BPAHSBVPGKYIEV-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CNc1ccc(-c2cc3sccc3s2)cc1	2246029049	IXOADGLNAMAWTP-UHFFFAOYSA-N	245.372	4.672	0	10	BJAE	
CC(C)[C@](C)(O)CCC[C@@H]1CCCCC12CC2	2246618762	XZFAXRSQWATUPT-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](O)CC1=CCCCC1	2247515397	XVJKYAZOTOZEQA-HOTGVXAUSA-N	238.415	4.556	0	10	BJAE	
Cc1cc([C@@H](N)[C@H](C)C(C)C)cc2ccsc12	2248565145	NQLXPXSLINQZDK-RISCZKNCSA-N	247.407	4.502	0	10	BJAE	
CCC(C)(CC)[C@H](O)CCCCC[C@H]1C[C@@H]1C	2248816314	RYZANNXCIXYMBY-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@@H]1CCCC2(CC2)C1	2250351120	AEDMFWFCOFSDNU-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCCCCC1CC1)NC	2250356173	PQQKCZGZYMUJNA-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@H](CC)CCC	2250359048	QDPJRIBCULJYEY-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(N)CC1CC1	2250466118	AJAGQRKLXQLKIV-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(O)C1(C)CC1	2250496811	VXWJONDWRDMFMO-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](C)(O)CC1CC(CC(C)(C)C)C1	2251492711	NHZAOJLCTHKKCD-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CC1CC(C)(C[C@H](O)c2ccc(C(C)C)cc2)C1	2253654125	FQOJDEAYROPIPQ-PWZRNIHTSA-N	246.394	4.670	0	10	BJAE	
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C[C@@H](NCC[C@H]1CCCCC12CC2)C1(C)CCC1	2253888577	AHRKOAMBLCCACS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)CC2C[C@H]3C[C@@H]3C2)C1	2253924103	RJBHORXXFKEBTQ-VDERGJSUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCNC3(CCC3)C2)C1	2253944584	OQDHVOMEQKFMFR-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CC2(CCCC2)C1)C1(C)CC1	2254113158	MQDFWSSATRVMFO-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)CC1CC2(CCCC2)C1	2254114852	NSQRAFFXQMBFGP-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@]1(N)CCCCC12CCCC2	2255021597	ALNFHUAPZCUHQT-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CC[C@H]1CCCC12CC2)CC1CCCCC1	2255291252	NLHHXCNHSNWCBO-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
O[C@@H](C[C@@H]1CCCC12CC2)C1=CCCCCCC1	2255326307	DFLSIXWIZDVPMV-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
O[C@H](C[C@@H]1CCCC12CC2)C1=CCCCCCC1	2255336161	DFLSIXWIZDVPMV-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CCc1cccc(F)c1NC[C@@]1(C)CC=CCC1	2256142412	RFPHTUJNUOIIGW-INIZCTEOSA-N	247.357	4.546	0	10	BJAE	
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CCCc1ccc(CC(=O)CC(CC)CC)cc1	2256230991	MSBNCWXPMWVYQB-UHFFFAOYSA-N	246.394	4.577	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNCCC1=CCCCC1	2257337371	FIAXJMKHEBYGNR-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
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CCC[C@H](CC)[C@H](NC)c1ccc2occc2c1	2259450866	AZOBCZRWIMZUPG-LRDDRELGSA-N	245.366	4.520	0	10	BJAE	
CCc1ccccc1OC[C@]12CCCC[C@H]1CC2	2260577478	FVZUFYZSXMIYTC-DOTOQJQBSA-N	244.378	4.598	0	10	BJAE	
C1CCC(CCCNC[C@@]23CCCC[C@@H]2CC3)C1	2260618333	IRNFFBXSDMUDBF-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@]12CCC[C@@H]1CC2	2260622987	SEGVBSFVMIMILD-RKTXRCNFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@]12CCCC[C@@H]1CC2	2260656195	FOPFODZVSLUXSG-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CCC(=O)C[C@@H]2C[C@@H]2C2CCCC2)C1	2261508605	KUORFSFKGPDXPJ-KWVKFQHESA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)C1(C)CCC(C)(C)CC1	2298869880	SKLDUBIEDCPLHR-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@]1(C)C[C@H]1C	2300687696	FQFZDURUTFALMD-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H](C)C1CCCCC1	2300699228	FDKFZDPTJMVOOQ-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CC(C)(C)C1CC1	2300871082	BLMBKGNQNNLTMQ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccc(O[C@H](C)[C@@H](C)C(C)C)cc1	2301840843	QPTBJXKOYWGZBH-UONOGXRCSA-N	234.383	4.869	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](O)C[C@@H](C)CC(C)(C)C	2301965504	UMKXRCRQINVBEK-BARDWOONSA-N	242.447	4.738	0	10	BJAE	
C[C@H](CC[C@@H]1CCCC[C@@H]1N)C1CCCCC1	2302506068	DPKKDEGBAIYEFY-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@H]3C[C@H]32)cc1Cl	2302923080	ZFOIWOABWURYCJ-NJZAAPMLSA-N	249.785	4.639	0	10	BJAE	
CC[C@@H](N[C@H]1CCC(C)=C(C)C1)c1cccs1	2303459312	QBYMNJAOBYLLQV-UONOGXRCSA-N	249.423	4.678	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CCCC(C)C)CC1	2303527702	XLWDKSJOUGSPLG-HNNXBMFYSA-N	236.399	4.908	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](CC[C@@H]2CCC(C)(C)C2)C1	2304422307	HFISFNFBYFVQPL-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@]1(CC[C@@H]2CCC(C)(C)C2)CCCN1	2304433973	GUBFXKGQNAGJML-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)CN1CCC[C@@H](C(C)(C)C)C1	2307750636	XGHBFSCCHNPWGB-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1CCCC2(CC2)C1	2307760474	IFVMRZQZLAYDPL-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCC[C@@H]2CC[C@@H]21)C1CCCCC1	2309520734	DMGSRGYCDRNHMX-ORQFMDKSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2311014914	QJDVKNRRHBBIND-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)[C@@H]2C[C@H]2C2CCCCC2)C1	2311525980	NJEYTDUZCUBDCA-LQKXBSAESA-N	248.410	4.598	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@@H]2C[C@H]2C(C)(C)C)C1	2311610036	ZBMLMWKPVJUDMP-SPWCGHHHSA-N	248.410	4.620	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	2311614851	IGHIRTYZKCQKAR-QEOTZNIISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@H]2CC[C@@H]3C[C@H]23)C1	2311893231	WTHCUFGVZIBMFF-IXYNUQLISA-N	248.410	4.598	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@](O)(CC1=CCCCC1)C2	2312824244	JRVYVJHAQRDNLT-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)Oc1cccc2ccccc12	2313612612	OPXFXQNNGZPDOX-ZDUSSCGKSA-N	240.346	4.797	0	10	BJAE	
CC1([C@](C)(N)C(CC2CC2)CC2CC2)CCCC1	2313660531	QYKIGNCOTMFCJY-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@]1(N)CCC2(CCCCC2)C1	2313664361	ICGSWLTUHVNKRP-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)CCc1ccccc1	2316248159	LYDUYJNQCDKDEJ-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
CCC(C)=CC[C@H](NC)c1cccc(C2CC2)c1	2316511242	ZGPPSVMRIVYQBT-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
C1CCCC(CN2CCC[C@H]3CCCC[C@@H]32)CC1	2316883016	FJPZLIWMKCJHDO-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
Fc1ccc2ccn(CC3CCCCCC3)c2c1	2317016344	PYPQJSSWNNKHCX-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
CCC[C@@](O)(CC)CC(C)(C)Cc1ccccc1	2317220782	QAQKOJJOLUWBCE-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@]12CCCC[C@H]1C2	2317911017	JFYWIUPZPKWSEL-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
CC1(C)C[C@H](NCCCC2=CCCCC2)C1(C)C	2318520782	AIWWDKUDUUYKNG-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCCCC1=CCCCC1	2318530181	ZJKIIRVTLXSPGN-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C[C@@H]1C=CCC1	2318872031	KLYYIEXWGFFAQN-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCC[C@H](C)[C@@H]2C)CC1	2320326199	DAMGFIALSPQNQO-QMCVQRASSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](C[C@@H]1CCC(C)=C(C)C1)NC	2320326932	IWNGOVSDWMCIBW-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](O)c2cccc(C)c2)CC1	2320327890	BYHKXSWYESQAFR-RDJZCZTQSA-N	244.378	4.555	0	10	BJAE	
CN[C@@H]1CCCC[C@@H](C[C@H]2CCC(C)=C(C)C2)C1	2320334348	OFSDDNGIXHJRJJ-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)C23CCC(CC2)C3)C1	2321605877	PVWBZEPGILOREC-GJEMEMOUSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cc(F)ccc2C)cc1	20022733	UBICQMCPMHMKDY-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
Cc1ccccc1N[C@H]1C[C@H](C)CC(C)(C)C1	20551064	BKDFQZCALKGWMV-JSGCOSHPSA-N	231.383	4.622	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc(F)cc1Cl	20594722	GVTXNTIEGSDXNV-SNVBAGLBSA-N	243.753	4.860	0	10	BJAE	
CCN[C@@H](CC(C)C)c1csc2ccccc12	35555241	RPDYELNCOMKQNB-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCCC[C@@H]2C)c(C)c1	36865959	FABBMIVEQDHIDF-LXZKKBNFSA-N	245.410	4.533	0	10	BJAE	
Cc1cc(C)c([C@@H](C)N[C@@H](C)CC(C)C)c(C)c1	37261074	VGFFFTMDRXPHQQ-JKSUJKDBSA-N	247.426	4.697	0	10	BJAE	
CC[C@H](N)C[C@@H](C)CC[C@@H](C)CC(C)(C)C	44405685	UVIMSFKQYKGECC-MJBXVCDLSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](N[C@H](CC)CC1CC1)c1ccccc1	70106122	ZJJCYHWZMIZSOY-SJORKVTESA-N	245.410	4.696	0	10	BJAE	
CCCN[C@@H](c1ccc(CC)cc1)[C@@H](C)C(C)C	70123599	OFAYCXYIMFKADY-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CCc1ccc(CC)c([C@@H](CCC(C)C)NC)c1	70440501	IQJLZCHDQATKCO-QGZVFWFLSA-N	247.426	4.508	0	10	BJAE	
CCCC[C@H](CC)CCC[C@H](NC)C(C)C	70746839	YARZLZSLVBRULF-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CCCCCC1	71084906	BZSSANABFSRWFF-CQSZACIVSA-N	225.420	4.645	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C1CCC(C)(C)CC1	87942410	KZQYWJHUMYFXJF-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
O=C(CCCc1ccccc1)C1CCCCCC1	87946449	ZBMCASPROIREOI-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CCCC(=O)c1cc2cc(C(C)(C)C)ccc2o1	88071796	XXISSHRXAPGWEK-UHFFFAOYSA-N	244.334	4.713	0	10	BJAE	
CCCCCC[C@H](C)Nc1cc(C)cc(F)c1	91509677	DEGIFJCBUXIGLK-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C2(C)CCCC2)cc1	94899024	FPZSWRFFNWMKSZ-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccccc1CC	110158943	PENKMOUQDMUKIO-CQSZACIVSA-N	233.399	4.877	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccnc(Cl)c1	122653089	XYVJZKRQJOIYJW-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CCC[C@H](C)C[C@H](N)CCC1CCCCC1	126009170	WZZBLDQRZQPQMZ-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc2c1ccn2CCCc1ccccc1	128809311	GBGQZLFSSCWECY-UHFFFAOYSA-N	249.357	4.583	0	10	BJAE	
CCCCCCC(=O)CCCc1cccs1	135428362	MMAUJMZKCRMUGX-UHFFFAOYSA-N	238.396	4.610	0	10	BJAE	
CCC[C@H](Br)c1ccccc1Cl	143296770	KAVJXEAFXOEEBA-VIFPVBQESA-N	247.563	4.576	0	10	BJAE	
CC[C@H](NCCCCC(C)C)c1cccs1	147365132	ISLZRWHVCJWURU-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@H]1C)C1CCCCCC1	149847949	SBXWLWMHFAUQGT-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H]1CC(C)(C)CC[C@@H]1CNC(C)C	156299368	HBUNYURRAWPPCQ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@H](CC2=CCCCC2)NC)CC1	161263678	IADZBEKNUJFJJG-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H]2CCC[C@H](C)C2)c1	165528764	PUFAALDEQVUHIG-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CC(C)(C)Sc1cccc(C(C)(C)C)c1	226308623	TUBCKTIBDSSWIR-UHFFFAOYSA-N	222.397	4.875	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2CCCC2(C)C)cc1	226529478	NSQRBNYZASXIAC-HNNXBMFYSA-N	244.378	4.819	0	10	BJAE	
CCC(CC)c1c[nH]c2ccc(Cl)cc12	232866411	OEVKWVXLGJCYCL-UHFFFAOYSA-N	221.731	4.725	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C1(C)CCCCC1	233123960	JVJWXFSZQHZILI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](N[C@H](CC)CCC)c1cccs1	233288112	NFVWOXSJVBXMGM-OLZOCXBDSA-N	239.428	4.758	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](Nc2ccc(Cl)cc2)C1	252180466	SVDALCNVTOJZDL-YABSGUDNSA-N	237.774	4.577	0	10	BJAE	
CC(C)n1cc([C@@H](C)C#N)c2c(Cl)cccc21	260103060	RQTGWRRGTODNOU-JTQLQIEISA-N	246.741	4.503	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	300464475	JTBTZTROUXFQCA-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)n1ccc2cccc(CC)c21	303999324	ZIQSGUCQVLKLRY-LBPRGKRZSA-N	215.340	4.565	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cccc2ccsc12	304207721	KWSHFICDJISQCX-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
CC(C)(C)CCC(=O)c1cc2cc(F)ccc2o1	305926355	NMWQUNIWKIIAPJ-UHFFFAOYSA-N	248.297	4.581	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)CCCC(C)(C)CC1	305972452	QAAIDAWDKNHNIE-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CSc1c(S)cc(Cl)c2sccc12	306625269	YBOKYPWZXZJBBI-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)C1=CCCCCCC1	308020774	JZGWSWOBMRVUTI-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1ccccc1C(C)C	308034211	RHXFIOGIYDTXTK-RHSMWYFYSA-N	248.410	4.916	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](NC)c1cccc(C)c1	308042138	CAGYZASTAIZZGZ-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@H](CC)CCC1CCC(C)(C)CC1	310108154	DNKGTPRWVGHVJV-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)C(C(C)C)C(C)C	310160511	LDPXEHVHGFOCHO-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@H]1CCC[C@@H](C)C1	310971718	RLNKLKNCYYRTCJ-CKEIUWERSA-N	246.394	4.670	0	10	BJAE	
Cc1cc(C)c([C@H](N)CC2(C)CCCC2)c(C)c1	311206640	JPRANPDYWDEOFH-OAHLLOKOSA-N	245.410	4.582	0	10	BJAE	
C/C=C\Cn1c(-c2ccccc2)cc2ccccc21	311259531	IXEYUBOGLWYFJN-IHWYPQMZSA-N	247.341	4.884	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C(C)(C)C1CCC1	322085766	DBRPROHNGPSTDO-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
CC(C)CCCCC[C@@]1(CN)CCC[C@H](C)C1	383219471	DWRPRRYSKAEAHX-JKSUJKDBSA-N	239.447	4.748	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCCC[C@H]1N	383415685	YIUIHDQZKPZSOA-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)C1CCCCC1	383476923	DFTMBQKWTFGUDL-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(O)CC1(C)CCCC1	383654820	KERSNRNBRBKLNY-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@H](C)CC(C)C	395154520	GTSYYWUBKKSPNB-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
CCc1cc2sccc2c(C)c1C(F)(F)F	396311942	XNYNPSVZUDMTIB-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@H](C)CC(C)(C)C	398910447	LBQFSRKEQCCJSG-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(NC[C@@H]2CCCC[C@@H]2CC)cc1	401573002	GJEXYQAXWCOTBO-HOTGVXAUSA-N	245.410	4.877	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccc2c(c1)CCCC2	404635755	JEMPKHQZRDNKGU-AWEZNQCLSA-N	245.410	4.802	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cccc(C2CCC2)c1	690121674	NAPWJEFAKWXSFZ-SUMWQHHRSA-N	243.394	4.945	0	10	BJAE	
CC[C@H](N[C@H](C)C(C)(C)CC)c1ccccc1	695136379	QLLMXXBLTIPUNR-HIFRSBDPSA-N	233.399	4.552	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C[C@H](C)C(C)(C)C	696642947	BTOKEQUGUSYQFP-STQMWFEESA-N	227.436	4.602	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H]1C[C@H]1C(C)(C)C	700011306	GKXSHPUMNNNPKB-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1CC=CCC1)[C@@]1(C)CC1(C)C	702162681	WJQGDJVMKPWUQM-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
Cc1c(Cl)cccc1O[C@@H](C)c1ccccc1	702649184	SPNIPNRITMZLQX-LBPRGKRZSA-N	246.737	4.788	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@H](C)CC(C)(C)C	704684998	MJHBQLKXAWXKIH-XJKSGUPXSA-N	248.410	4.916	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](CCC=C(C)C)NC)C1	704894056	RRBPAJSKLQYILQ-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC(C)(C)C[C@@H]1C	704941435	ZUDCYIMWERUIOW-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)[C@@]12CCCC[C@H]1C2	709132560	PZXVNQHRUNVWDP-WWGRRREGSA-N	247.357	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)NC[C@@H](C)CC(C)(C)C	709148599	UITBDJUVTUVYQB-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCCC[C@@H]21)C1CCCCCC1	712459237	XDTJGDRCUPMNEI-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@](O)(CC)CC1CCCCC1	713210493	LPVPDZRFHDOESQ-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)CCC1CCCCC1	713219158	XJSPZXOSKRSMQJ-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CC/C=C/C[C@H](CC)c1cccc(OC)c1	714523307	YVQCDJXNVRERTM-YBJDMEARSA-N	218.340	4.545	0	10	BJAE	
CC/C=C/[C@H](C)Cc1ccc(CCC)s1	714533044	ZLPWUQYKRWFFBR-WMADIVHISA-N	222.397	4.845	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCCCCC1(C)C	719217598	DQMGYWFIOHZGSQ-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CCC)NCCCCC1CC1	720110321	SOQMCUNQVAXEKZ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1c(C)csc1C	724987029	CSBNNSFUVRGLLV-LBPRGKRZSA-N	238.396	4.620	0	10	BJAE	
CC(C)c1c(Cl)cccc1C(C)(C)C	822255248	GZBFKIKMMGZIEW-UHFFFAOYSA-N	210.748	4.761	0	10	BJAE	
Cc1ccc(NCc2ccccc2)c(Cl)c1C	1656508525	FIZITMPHUICOKC-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CCC(C)=CCNc1cc(C)c(Cl)cc1C	1900828103	WYYFOTKZTWUMLV-UHFFFAOYSA-N	237.774	4.725	0	10	BJAE	
CC=CCC1(CNC(C)C)CCCCCCC1	1911906987	UZFLHPJVAJFVBH-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@@H]1C[C@@H](C)CCC	1916014009	JZDSCFGDOVSGLV-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@@H](C)CC(C)(C)C	1920188285	TZMWYHNZMVZVPB-DZKIICNBSA-N	241.463	4.993	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCC1)[C@@H](C)C1CCCCC1	1924101388	RMHCYXGQOYFEMW-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)C1CCCCC1	1924124075	HNOGIOPSDJNYMV-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)[C@H](C)C1CCCCC1	1924130447	OOWNCMDXXWPYRD-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1OC[C@H]1C=CCCCC1	1925808460	XRTHFALSJNNZPE-HNNXBMFYSA-N	244.378	4.764	0	10	BJAE	
CC[C@H](C)c1csc(C2CC(C)(C)C2)n1	1933281931	FBIPZGHTWDSSTC-VIFPVBQESA-N	223.385	4.560	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1csc(Cl)c1	1933607291	IXBZVNQAJWWIHE-CABZTGNLSA-N	245.819	4.618	0	10	BJAE	
CC(C)c1csc([C@@H]2CCCC3(CC3)C2)n1	1936184700	WVCMKGRTGBZPNW-LLVKDONJSA-N	235.396	4.704	0	10	BJAE	
CC[C@@H](NCC(C)(CC)CC)c1ccsc1	1936265908	WRGQOHWAIAPEBN-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCN[C@@H](CCC1(C)CCCCC1)CC(C)C	1940415593	NSZZTRBBPDBRPW-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CCCC2CC2)CC1	1941583925	KDPSYVJXXPJBTN-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](CCCCCC1CC1)NC	1941584148	MIFXTRZGGJLKCY-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CSc1cccc(NCC2CCC=CCC2)c1	1941816718	JTMLZJMETXZKRW-UHFFFAOYSA-N	247.407	4.567	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C(C)(C)C1CCCC1	1944639666	HMTGIHUWSGJPDN-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
O[C@H](c1cccc2sccc12)C1CCCCC1	1945962137	SDIGEYXZOBSLBV-HNNXBMFYSA-N	246.375	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCCCC1CCCC1	1947454814	BKLIZZGUDAWAKS-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(O)C[C@H](C)CC(C)(C)C	1947514955	JIPUHHDDSCOAMG-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1C=CCCC1)NCC	1947590826	ZGVZUYYBGMEQEP-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CCC(C)(C)CC(F)F)NCC	1948428396	GBRZLQKCOOWLCG-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
Cc1cc([C@@H](N)CCC2=CCCCC2)c(C)s1	1949043181	LKLDULHMOPBVTC-HNNXBMFYSA-N	249.423	4.645	0	10	BJAE	
BrC=C1CCC2(CCCCC2)CC1	1954782575	DIZGNGQAOOXKLD-UHFFFAOYSA-N	243.188	4.790	0	10	BJAE	
CC1(C)CCC[C@H]1NC[C@@H]1CCCCC12CCC2	1969961385	JYHDVXLNTXNRIE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1CCCC2(CCC2)C1	1970858918	FGZXRRPSRPVKAR-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](NCC1(CC)CCCC1)c1occc1C	1971015039	OWHFRSFUOJPOKY-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CC(C)C[C@@H](C)NC1CCCCCCCC1	1980337025	PYIVIFWVTXRVII-CQSZACIVSA-N	225.420	4.514	0	10	BJAE	
C=C=CCCCc1ccc2ccccc2c1	1985444417	OERFGIROZKMQPP-UHFFFAOYSA-N	208.304	4.504	0	10	BJAE	
Cc1cc(C(=O)C[C@H](C)C(C)C)ccc1Cl	1988299984	NXKDQEYZEVGXJK-JTQLQIEISA-N	238.758	4.513	0	10	BJAE	
C[C@@H]1CC[C@H](NC2(C)CCCCCC2)C[C@H]1C	1995826807	NYHGFHAPQPYEGO-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H]1CC=CCC1	1997545382	BYJHCQPVTBUWQU-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCSc1ccccc1NC[C@@H]1[C@@H](C)[C@H]1C	1998552187	RCTMPYLLYKPIJK-ITGUQSILSA-N	249.423	4.503	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CCCC2(C)CC2)C1	2000188185	BJZRAPPJPHHHPY-TZMCWYRMSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@](CC)(CCC1CCC1)CNCC	2000508473	JKRPDNNKKPBQNQ-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)CC1CC=CC1	2000517023	ZBOSLYPNCDTRRX-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](C[C@H]1CCC12CCC2)NCC	2001854948	RBLORQHQEPPWJW-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H]1CCC12CCC2	2001859927	OBSVHDYFQSTMEU-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCN[C@H](C)[C@H]1CCCC(C)(C)C1	2003009041	WOJYFUKWNGOTNF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)=CC[C@]1(N)CCC[C@@H](C(C)(C)C)CC1	2004227234	RQBKOOUZMBGBIN-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCCC(CCC)CNCC1CC(C)(CC)C1	2004711324	INEVCZHYEMOPOM-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@]1(C(CC)CC)CCCCC1(C)C	2005584491	XCOCSTNCIVAAHL-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC1CC(C[C@@H](N)CCC2CCCCC2)C1	2007747556	UYZZDIVJELDLEI-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(-c2csc([C@@H](C)N)c2)cc1	2008406076	VNVYVXNCLUGMAN-LLVKDONJSA-N	245.391	4.558	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@@H](CC)C(C)C	2009551065	DQFVWDGFHORZMJ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@]1(CNCCC)CCC[C@H]1C	2009627298	JNLLASIZMJGOQK-RKIWFNSJSA-N	237.431	4.539	0	10	BJAE	
CCCC1CC(N[C@@H](C)C2(C)CCCCC2)C1	2009712928	TXZLVVYIERQRDE-NFOMZHRRSA-N	237.431	4.514	0	10	BJAE	
Cc1scc([C@H](N)C2=CCC(C)(C)CC2)c1C	2010741487	BCHCFCVAOWIQLJ-CQSZACIVSA-N	249.423	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC(=O)CC(C)(C)C1	2012083250	WZVFXAIBTXKESZ-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](Nc1ccc(C(C)(F)F)cc1)C(C)C	2012750432	VTTJXMXDMLZZMW-CYBMUJFWSA-N	241.325	4.645	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C[C@@H]1CC[C@H](C)C1	2013307073	RWWPZWZPRFZXAY-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
CCC1(CC)CCC(N)(C[C@@H](C)C(C)C)CC1	2015399974	PHKHWFOHRSTMAW-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CCCCC1CC(O)(CC2(CCC)CCC2)C1	2015642996	XDEUQFCKHNTUMW-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCc1cc(NC[C@H](CC)C(C)C)ccc1C	2016107904	ZWZGIJREQHUGEI-HNNXBMFYSA-N	233.399	4.652	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2CCC[C@H](C)C2)CCC1	2017123438	AOMGLIBHSHCRPY-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](O)(C[C@H]1CC[C@H](C)CC1)C1CCC1	2017649855	AMFROSDIJSAQDB-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@@H](C)[C@@H](C)NCC)CC1	2017728461	LZSFNRIGMTZUSJ-WXLSXGNJSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CC(=O)C(C)(C)C2CC2)CC1	2017775289	ZVUNNMVCSMCDFM-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(CC(=O)[C@]2(C)C=CCC2)CC1	2017777618	GXRXEIVRZHRPFN-ZBCRRDGASA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1CCCC[C@H]1C	2018138897	MBPDQOAVZKUPAN-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@]12CCCC[C@H]1C2	2018575593	UCUHWURUELNMOZ-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@]12CCCC[C@H]1C2	2018576306	ZJMZSDONEGGBHX-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCCCCC=C1CCNC2(CCCCC2)C1	2018644825	GBANQEKXCNOACJ-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H]2CCCC[C@H]2CC)CC1	2018965217	PDYRGIPFPJECMA-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCCN(CCCC)[C@H]1C=CCCCCC1	2019117139	FXKPWDKVMISGDT-INIZCTEOSA-N	237.431	4.778	0	10	BJAE	
CC(C)CCCCCCN[C@@H]1C=CCCCC1	2019497060	BEEDMOQJFBLEKV-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H]1CC(C)(C)C[C@@H]1CCC(C)(C)CC	2023615202	CVERZQHVOOFVMH-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H]1[C@H](C)CCC[C@H]1CCCCCC(C)C	2023999807	VAXNOTYHJSSHQM-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
Clc1cccc2cc(C3CC4(CCC4)C3)[nH]c12	2024285530	FPCCQTFFJDXETI-UHFFFAOYSA-N	245.753	4.869	0	10	BJAE	
CC1(CCCOc2cccc3ccccc23)CC1	2027831176	LMDCKBMKNHZJAB-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)c1ccccc1C	2027832880	RSODHMGCRBMWLZ-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
Cc1cc(O)c(C)c(-c2cccc(C3CC3)c2)c1	2028558981	BNGZFPKEKGBFES-UHFFFAOYSA-N	238.330	4.553	0	10	BJAE	
CC1(c2ccc(C(=O)CC3CCCC3)cc2)CC1	2028591883	XIMCETBECRQKAU-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)CC(C)(C)C1CC1	2028874138	LUYLDIMNGWWVRT-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCCc1cccc([C@@H](NC)C(C)(C)C(C)C)c1	2032343057	BKOSYZUHRGYQPD-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
C[C@@H]1CNC2(CCCC2)[C@@H]1C1CCCCCCC1	2033527505	MRXMWMJAGVQVDN-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)cc1C	2034260030	CQIRIVRWYSRRAS-USXIJHARSA-N	243.394	4.684	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@H]1C=CCCC1	2037306817	YDBIUTYYWMVCSC-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
O[C@H](CC1=CCCCC1)[C@H]1CCC2(CCCC2)C1	2037571081	JIONXUREAKXAKE-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2C[C@@H](C)Nc3ccccc32)C1	2037699167	QUHBATBFFDFIIW-APIJFGDWSA-N	243.394	4.801	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@@H]1CCC2(CC2)C1	2038567170	IBQYRLMGKDRXIK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CCC1)CC12CCC(CC1)C2	2039421270	PTUXAIXDJLZVJO-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NC2[C@H]3CCC[C@H]2CC3)cc1	2042047000	GWXFHNUNFNHGHF-GJZGRUSLSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CC(CC2(CNC(C)(C)C)CC=CC2)C1	2042089316	OBHFYUPTFWKAFX-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(C(=O)CCC2CCC2)cc1	2042748740	ZSJAVXUEXGPELL-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)[C@H]1C=CCCC1	2043186207	CLDQYXZHWHOBBC-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)C2CC(C)C2)c1	2043544868	AODCZFHBYPCQKS-UYJPIKCFSA-N	245.410	4.658	0	10	BJAE	
CC1(C)C([C@@H](N)C[C@H]2CCC=CCCC2)C1(C)C	2045317012	IPGMIDHRVBHXFS-KBPBESRZSA-N	249.442	4.523	0	10	BJAE	
Cc1cc(C)cc([C@H](N)[C@H]2CCCC(C)(C)C2)c1	2045506501	QNZFTHUMGPRBOR-GOEBONIOSA-N	245.410	4.520	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC1CCC=CCC1	2045682742	QFEBXAXOVYLEQX-WMLDXEAASA-N	246.394	4.684	0	10	BJAE	
CC(C)=CCCN(C)C1CC2(CCCCCC2)C1	2046325144	QNOYICGZLSOYSB-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CC(C[C@H](N)C[C@@H]2CC23CCCCC3)C1	2047008308	NJAYDGCBLCSJEV-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CN(C[C@H]1C=CCCC1)C1CCCCCCCC1	2049782047	CWEBVONWGISRSQ-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CCC[C@]1(C)NC[C@@H]1CCCC2(CC2)C1	2049852749	FMBKTSHKWHPAKW-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@@H]2CCC3(CC3)C2)CC1	2049857717	TVKAHZPQGPBBQS-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C1CC(CC2CC2)C1	2050215460	CPUBSWZRFVXJFS-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)[C@@H]1CCCCC12CC2	2053367960	QNPSDENNYXWPBF-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(CNc2ccc(CF)cc2)C[C@@H](C)C1	2055678442	QKMIDLDILZJOBW-STQMWFEESA-N	249.373	4.640	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CC[C@@H]1CC1(C)C	2056873122	KOWYEHQULNKJAT-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCCC)c1ccccc1F	2059225864	SFXGUGAGZODJGJ-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@H](C)c1ccccc1)NC	2059262213	KNSUYLLFPHQEME-LUJIMGINSA-N	245.410	4.515	0	10	BJAE	
CCCCC1CC(N)(CC2CCC3(CC2)CC3)C1	2059494566	ALVQZYDXEALUBW-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@]1(CC[C@]23CCC[C@H]2C3)CCCCCN1	2061574499	IJQZCHLNKQIRAM-YESZJQIVSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC[C@]23CCC[C@@H]2C3)CC1	2061575201	PSCFFPMISYWRJY-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C1CC(=C2CC2)C1	2061650811	OYROMMMNUCLZCY-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC=C([C@]2(O)CCCCCC23CC3)CC1	2062029758	ACCSOGDHSJGVDV-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC1CC2(C1)CC21CCC1	2064110830	HPFTZPUCOYOLAZ-JPQBHMHHSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC12CCC(CC1)CC2	2065256677	CXTUYFOSYPZOBR-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCNC1CCC2(CCCCCC2)CC1	2065892914	RQJQQDJEBJGPLD-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2068773787	XCZAXWMULPVJNL-AQRZSSMZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CNc2ccccc2F)CC1	2072795220	BSPDOTGMYHWZEH-HDJSIYSDSA-N	249.373	4.844	0	10	BJAE	
CCC[C@@H]1CNCCC1=C[C@H]1CC[C@H](CC)CC1	2072811540	FRKDWIHBWKSUIM-BFYDXBDKSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)CC1	2072870828	HRUQJHMQHGOZDF-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H]2CC3CC2C3)CC1	2072876563	BMHXBGAKOHEATB-AXJCJWBSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@@]23CCCC[C@@H]2C3)C1	2074090289	IXQONTORYLQIQX-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C(CC1CCCCC1)=C1CCNC2(CCCC2)C1	2074136574	ZHROSSFHDAQPCQ-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@H]1CCCC12CCC2	2074797081	MWFOKNQNPBREIU-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
NC1(C[C@H]2C[C@@H]2C2CC2)CCCCCCCCC1	2079303275	NBBOSEJAENEJQO-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2C[C@H]2C2CCCC2)CCC1	2079434109	DVBNVILMZZUEFD-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@H](N)[C@@H]2C[C@@H]2C2CCCCC2)CCC1	2079830493	BTOMWMBDUARNJZ-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@@H]1C[C@@H]1C1CCCCC1	2079830724	FDGXSGWKTIDWEQ-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@@H]1C[C@H]1C1CCCCC1	2079859868	ASJXOQGPNANHEJ-MMTVNHQJSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C[C@@]1(N)CCCC12CCCCC2	2079885207	KJCDCHPNVSLYDY-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CCCC2CCC2)CCC[C@H]2CCCC[C@H]21	2081134696	XCIBNYVCDRPXQF-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H]2CCCC[C@H]2C)c1	2082950948	PPZFAAWERAYSIN-IUODEOHRSA-N	244.378	4.621	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CCc1ccccc1	2086044436	NSSXHNKDUCHVAL-DOTOQJQBSA-N	248.410	4.587	0	10	BJAE	
CCC[C@H](CC)NCCCCCCC1CC1	2210527137	ODZGQDABCNOAMZ-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@H](NC)c1sc(C)c(C)c1C	2211703491	YGRJJOOKEMKNBJ-ZDUSSCGKSA-N	239.428	4.514	0	10	BJAE	
CCN[C@H](CCCCC1CC1)CC(CC)CC	2214570035	QBVLCTKYSFYSID-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc(OCC[C@@H]2C[C@H]2C)cc1	2215329488	DDEOXFJTDMTWDO-GZBFAFLISA-N	232.367	4.625	0	10	BJAE	
CCCC[C@H](N)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216766731	ZENWTDWWVBZMBJ-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@]1(CN[C@@H](C)CC)C=CCCC1	2217153547	MTQDEPSLMDSWJX-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
NC[C@]1(CCCCC2CC2)CCCCC12CCC2	2220042718	WHRBTYGMOUJFDG-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1c(C)cccc1OC	2220295743	XXMPYBFBXNSAIY-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@@H](N)CC1(C)CC2(CCC2)C1	2221077765	ZVNHQMALBMVNDN-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC1(CC[C@H](N)C2CCCCC2)CC2(CCC2)C1	2221087029	XZULNXDAGQFLOV-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1CC(C(=O)CC2(C)CC3(CCC3)C2)C1	2221087079	YLDGKKGGAUFJTA-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@@H]1CCCC[C@@H]1C)N2	2224127346	ILRNZMRFQYSIOC-YSVLISHTSA-N	243.394	4.548	0	10	BJAE	
CCC[C@H](CC)CNC1(C)CCCCCC1	2244797461	QABUGEPDWGZVAW-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC1CC(C)(CCC(=O)CC2CCCCC2)C1	2246525964	IYEPGYLXLJITGK-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CC[C@](O)(CC[C@@H]2CCC[C@H](C)C2)C1	2246690808	FQEIYCDVSBTYEY-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)NCCCC[C@H]1C[C@H]1C	2247093385	SCGDEGILJXGOES-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC(=O)CC[C@@H]1CCCC12CC2	2247637147	RLYHLVMCESDBEV-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H](CCCCC[C@H]2C[C@H]2C)N1	2248842115	PRAFPZMELNCFKK-QXSJWSMHSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@@]12CCC[C@H]1CC2	2251168521	WJDSOQNPONFTBA-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@]12CCC[C@H]1CC2	2251218319	SZDBUAJVQZUGCN-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)[C@](C)(N)CC1CC(CC(C)(C)C)C1	2251490538	BNNIBSCFMHOVSQ-UWLZSVRSSA-N	239.447	4.602	0	10	BJAE	
N[C@H](C=C1CCCCC1)C[C@H]1CCCCC12CC2	2253790017	DSSVPBKYMKTVGN-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
O=C(C[C@@H]1CCCCC12CC2)C[C@@H]1C=CCCC1	2253798683	JJESTRRAFUZPLO-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](CCCC[C@H]1C[C@H]1C)C1(C)CC=CC1	2254591948	ZPIUICAMPBOVNJ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H]1CCNC2(CCCCC2)C1	2254968928	ORVMQYHIJUNHQB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC[C@H]1CCCC12CC2)c1cccc(N)c1	2255258818	LFZBENBUANSWIY-UKRRQHHQSA-N	243.394	4.733	0	10	BJAE	
CCC[C@H](CC)CNc1ccc2c(c1)CCCC2	2259462806	BBCQZZSXZMMLOP-AWEZNQCLSA-N	245.410	4.804	0	10	BJAE	
CCC[C@](N)(CC1CC2(CC(C)C2)C1)C1CCC1	2259567175	SLZWDBQWQNUAMX-DRRRZMAASA-N	249.442	4.501	0	10	BJAE	
CC1CC(CNc2cccc(C3CCCC3)c2)C1	2260669145	PVPMDQZSHSLASR-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)C[C@@H]1C[C@H]1C(C)C	2297876909	ROJRDZFJMCBDHA-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)CC)CCC[C@@H]1C	2300860511	IEQHMWPVIWFHCY-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC(=CCNCCCC1CC1)CCCC(C)C	2300865531	OOOMMQRNVZPDGJ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@@](N)(CCCC1=CCCCC1)C1CCC1	2302328946	NXBBPLSFAWDVAG-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](O)CCCCCC1CC1	2302607786	CDIYSPKVYMISFH-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CC[C@H]1C(C)(C)C	2303445963	URDUZXQKCIMTNE-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC)CCC(C)=C(C)C1	2303468601	NNNJBMJAAYRYKO-CZUORRHYSA-N	237.431	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H](C)CCC(C)C)CC1	2303468684	CQTOHBPCYTYKML-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@](C)(O)CCC2CC2)C1	2304384854	QOINGRPKVITWHJ-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCCCC2=O)C1	2304448108	VAPMFVAITSLMJE-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)CN(CC)[C@H]1CCCC1(C)C	2307753195	ZSQVCCLJJFWXTM-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCCC[C@H]1CC	2307827018	TUFPKJWWFRWFOB-ARFHVFGLSA-N	239.447	4.891	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]2CCCC[C@@H]21)C1(C)CCCCC1	2308572106	OOHFMBWDMMDAKU-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)C[C@@]12CCC[C@@H]1C2	2310381385	IFXHETXIBWOIRZ-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)C[C@@H]2C[C@H]2C(C)(C)C)CC1	2312520678	BQODVVZQVBJHCB-IVSAIRAKSA-N	249.442	4.523	0	10	BJAE	
C[C@H](CC1CCC1)[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	2313599559	KXRQYSRMVQMCPS-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)N(C)C1CC2(CCCCC2)C1	2313612220	LFNZRQWCNKJLCM-AWEZNQCLSA-N	249.442	4.610	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1ccccc1CC	2316501510	FJBPAPKQGGGPGZ-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@@H](C)CC1CC1	2317962059	JIPWSMCDESWTJE-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)c1ccc([C@@H]2C[C@@H]2C)o1	2317992516	YMRMFSXPLFDFMD-ZDEQEGDKSA-N	248.366	4.514	0	10	BJAE	
CCCCCCc1cccc([C@@H](CC)NCC)c1	2318365253	VDXVYSHPYVQYSG-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CC(C)(C)C1CC(NCCCC2=CCCCC2)C1	2318509911	HCBRFQLOPHAMEX-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@@H]1CC2CCC1CC2	2318879176	CBVMQZHYHZSXRE-GQGLESIBSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)C23CCCC2CCC3)C1	2319115153	VXIOFXQHDPAIJY-GJEMEMOUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)[C@H]1CCCCC12CCC2	2320403797	PJMSNVJAILXOEX-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)CCC2CCCC2)CC1	2320416686	MLARLKMKBBDFLF-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)C)c1cccc(C(C)C)c1	2320514666	BUCJXRDKOAEPMG-PBHICJAKSA-N	247.426	4.753	0	10	BJAE	
CC1(C)CC[C@H](CCNCC[C@@H]2CC=CCC2)C1	2321614020	QMCXFLNAWDTVIY-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](C=C1CCC[C@H]1[C@H]1CCCCN1)CC	2328086271	QYZAOWCLSLRDHQ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CNc1cccc(Cl)c1Cl	19980634	GHXWTQWCVZSHIN-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
CC[C@H](C)N[C@@H](c1ccccc1)C1CCCCC1	21047229	CPBLFKUCPKISBR-YOEHRIQHSA-N	245.410	4.696	0	10	BJAE	
CCCN[C@H](c1ccc(C)s1)[C@@H](C)CCC	35573098	JAIQWUVHHWACJU-FZMZJTMJSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(Cl)ccc1C	37184704	USWJQOMUFYMQMW-LLVKDONJSA-N	225.763	4.639	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(C)c(F)c2)C1	71105875	BPXBIYYQDPPEOT-QWHCGFSZSA-N	235.346	4.515	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@@H]1CCC[C@H](C)C1	71153400	WOMPDEBNWMWNNZ-UAGQMJEPSA-N	246.394	4.501	0	10	BJAE	
CCCCC[C@]1(O)CCC[C@@H](C(C)C)CC1	83520740	OEQUICAPKBZHLM-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H]2CCc3ccccc3N2)C1	86668670	FQOBALRKVFZQRT-UNEWFSDZSA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N[C@@H](c1ccccc1)C(C)(C)C	86673129	SLNSMEWFJDLVEY-KBMXLJTQSA-N	245.410	4.552	0	10	BJAE	
Cc1cccc([C@@H](O)C2CCC(C)(C)CC2)c1C	87941279	LEIWJFXLXHHXGL-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
CCCC1CCC(N[C@H](C)C[C@H](C)CC)CC1	88296974	UTTQZWWWHNMFTH-WXLSXGNJSA-N	239.447	4.760	0	10	BJAE	
CCc1cccc(N[C@H]2CCCCC2(C)C)c1	94274217	SQGVOOJCFFXBMJ-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
CCN[C@H](c1cccc(C)c1C)C1CCCCC1	109726557	HRBLRJUWSVBKFO-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCCC1CCC([C@H]2CCCCCN2)CC1	110109068	GSMSMYYAYWZJGF-UYSNPLJNSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)[C@@H](O)CC(C)(C)CC2	110269810	SDVBESPOKGJCNV-LRDDRELGSA-N	246.394	4.596	0	10	BJAE	
CCCCCC[C@H](NCC)C1(C)CCCC1	124902658	YIKFDURCQBWCRJ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC(CCC)[C@H](O)C1CCC(CC)CC1	125501004	HMYXNHSJNYFQBP-BCLQGDPASA-N	240.431	4.780	0	10	BJAE	
CC(C)NC[C@@H](C)[C@@H](C)c1ccc(C(C)C)cc1	133057980	SLPFZSDNPWNSME-HUUCEWRRSA-N	247.426	4.548	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCC(C)(C)C[C@H]2C)c1	155833049	FEQZGOPOGHYHJC-CABCVRRESA-N	245.410	4.930	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCC(C)(C)C[C@@H]1C	155977771	ZQNDYRHOSAAXET-ZQDZILKHSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)[C@H](CNC(C)C)C1=CCCCC1	161455717	LTHREUQTKDQSPM-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)C(=O)[C@H]1CCCC[C@H]1CC	165773721	RFOCZHXOARCGHR-HIFRSBDPSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1c(C)oc(C)c1C	165789084	NFFJQDWUTXBXBI-UONOGXRCSA-N	248.366	4.604	0	10	BJAE	
Cc1ccc2ccn(Cc3ccc(C)c(C)c3)c2c1	166409030	UIAKDNJJGGTFJC-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCCCc1ccc(C(=O)C[C@H](C)CC)cc1	167178370	XPGPZOWJRSAZII-CYBMUJFWSA-N	232.367	4.648	0	10	BJAE	
CCCC(CCC)[C@@H](NC)C1=CCCCCC1	211727546	RFZPJLYWVNURHR-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](C)c1cc(C)cc(C)c1	212594193	MDEKFRDYYIFQFR-WBVHZDCISA-N	247.426	4.575	0	10	BJAE	
CCCC(CCC)c1nc2c([nH]1)C[C@H](CC)CC2	212935162	KFQDSEAPFCZEHT-GFCCVEGCSA-N	248.414	4.608	0	10	BJAE	
CCCC[C@H](CCC)n1c(C)ccc1C	225865898	GIFWSRHDPACOBP-AWEZNQCLSA-N	207.361	4.636	0	10	BJAE	
Cc1ccc(C)c([C@H](O)[C@H]2CCCCC2(C)C)c1	226654492	NFBROEHPCRDGEH-CVEARBPZSA-N	246.394	4.553	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@@H]1CCCCC1(C)C	226819196	VBUHRMGQONQLRF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](O)CC1CCCCC1	226914339	SHWPUDCXXLFCCB-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](c1ccccc1)C1CC1	228145293	OOFCRAOQNCXMKQ-GRDNDAEWSA-N	245.410	4.552	0	10	BJAE	
CC(C)=CCN[C@H]1CCCC[C@@H]1C1CCCCC1	228838720	QIBSAGKMCLFNCY-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
O[C@@H](CC1CCCC1)c1cc2ccccc2s1	229294192	MKZUYJZDGBZYPE-ZDUSSCGKSA-N	246.375	4.515	0	10	BJAE	
Clc1ccsc1[C@@H]1CCc2ccccc2N1	229948320	XCPQLASGNJNWKA-LBPRGKRZSA-N	249.766	4.501	0	10	BJAE	
CNc1cccc(-c2cccc3ccsc23)c1	234511986	CHSSBEBOHYLTBA-UHFFFAOYSA-N	239.343	4.610	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2cccc(F)c2C)C1	235717756	PWAOSWLQOALEGO-BXUZGUMPSA-N	247.357	4.538	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@H]2CCC[C@@H](C)C2)CC1	251862944	SZTPBCOTTHCSOA-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCCC(C)(C)C)C1	300863499	MHVCNJUYMHGAGQ-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C[C@@H](C)CC(C)C)NC(C)C	300870353	HNGRIXCHOBLTAX-GJZGRUSLSA-N	227.436	4.616	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCCC)c1ccsc1	300989397	VPUUBIIFNNBEJQ-TZMCWYRMSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CCC1CCCCC1	302244385	HFKYDLLMOOMLRK-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
CC(C)C[C@@H](C)CC(O)(CC(C)C)CC(C)C	302293502	GQDSFWUMTOZCLA-OAHLLOKOSA-N	242.447	4.882	0	10	BJAE	
CCCc1ccc([C@](C)(O)CCC(C)(C)C)cc1	302469121	FTTZZLFUPGOVNI-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1CCCc2ccccc2C1=O	302552812	KHVQTSJPVWUHBJ-ZFWWWQNUSA-N	244.378	4.504	0	10	BJAE	
CCN[C@H]1CC[C@@](C)(CCC2CCCCC2)C1	305913782	GHXKKIDKVDRZLH-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)NC[C@H](CCC1CCCCC1)C(C)C	305920351	HRZWXRYMSRMGLW-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](CCC2CCCC2)C1	306016541	XQSFLXFLYRBCSA-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(N)cc1S[C@H]1C=CCCCCC1	310058458	CZBUTAAPDGXPJJ-AWEZNQCLSA-N	247.407	4.558	0	10	BJAE	
CCC1(C[C@@](C)(CC)CNC(C)(C)C)CCC1	318117066	PGVQBJSXVCZDET-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC1(CNC(C)(C)C)CCC(C)CC1	318527708	IWNMGYOGJCUJCF-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C1CCCCCCC1	319519300	AKJXGXQPXWOCNE-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H]([C@@H](C)[C@H](C)CC)C1(CC)CCCC1	319943354	BQOIPZJTGXNEMV-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1ccc2ccccc2c1	320056034	LYMKBHBIFQSUKD-STQMWFEESA-N	240.346	4.705	0	10	BJAE	
CCCc1cccc(C(=O)C(C)(C)C2CCC2)c1	322333601	YDWOMZARNQSELL-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
Cc1cccc([C@@H](O)[C@H](C)C2CCCCC2)c1C	380946450	OBVNEYIGKCWGBW-PBHICJAKSA-N	246.394	4.553	0	10	BJAE	
Clc1ccc(N[C@@H]2CCc3ccsc32)cc1	381604898	PPWPSMJCIFZZOV-GFCCVEGCSA-N	249.766	4.501	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC2CCC1CC2	382045510	VKISFOYQTCLYKM-PGEKIEPBSA-N	243.394	4.630	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1csc2ccccc12	383389725	JVQUZUTYGODADH-NHYWBVRUSA-N	248.391	4.617	0	10	BJAE	
CCCN[C@H](CC1CCC(C)CC1)[C@@H](C)CC	383541270	UKWJNJIYXRECEU-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@@H]1C[C@@H](C)c2ccccc21	384453307	JXNIHNXZMVHDQE-XJKCOSOUSA-N	245.410	4.649	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H](C)c1ccccc1	384988561	UZESUCLXJISWLA-ZIAGYGMSSA-N	232.367	4.576	0	10	BJAE	
CC[C@@H](N[C@@H](C)CCC(C)C)c1cccc(C)c1	385159655	UJGMPMOZENHUMK-DOTOQJQBSA-N	247.426	4.860	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H](C)c2ccccc2)C1	385179084	OZWNYWGOZOIXCF-FMKPAKJESA-N	244.378	4.576	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cccc(C(F)F)c1	386190616	PWXJIBFPUFZAJK-GXFFZTMASA-N	239.309	4.615	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2cccc3ccsc23)C1	386241576	OYINHRBBXUUHRV-PWSUYJOCSA-N	231.364	4.502	0	10	BJAE	
Cc1cscc1N[C@@H]1CC[C@H]2CCCC[C@H]2C1	387245353	XZBQNBBFNLMBJH-HZSPNIEDSA-N	249.423	4.827	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@@H]1C[C@@H]1CC	387751365	PXIGAVBKOCEOPX-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)Oc1cc(Cl)ccc1Cl	393769204	VGCRRBFRXRUCBC-SECBINFHSA-N	247.165	4.807	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1)c1cccc(C)c1	393989910	OZMUGUGQZVCFSB-QGZVFWFLSA-N	239.362	4.867	0	10	BJAE	
Cc1ccc([C@H](N)CC2CCC(C)CC2)cc1C	394113290	FAIRZZMDZFGZEQ-MWHAMWOXSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@](C)(O)C[C@@H](C)C1CCCCC1	394535238	NSFMOCZUULNIHW-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
Cc1cc(NCC2(C)CCCCC2)ccc1F	394573564	STGMYVMUIBRCTN-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
Cc1cccc(C)c1C(=O)CCC(C)(C)C1CC1	405755639	DPJLBFQEMIXLQI-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
C[C@H](CC1CCCCC1)Nc1cccc(F)c1	689742328	XXFKTHDMTDWHEL-GFCCVEGCSA-N	235.346	4.597	0	10	BJAE	
CCNCC1(CCCCCC(C)C)CC=CC1	690510085	FVEVNTBSIZIEKL-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2CC3CCC2CC3)CC1	691726744	GZJCJSYRLKLWGF-PYVGIJRLSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](CC1CC=CC1)NCC	692063853	XDCRLAFLKLIVLZ-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
Fc1cccc(CC2CCCCC2)c1Cl	694974084	HTWPVWOJUGIKOR-UHFFFAOYSA-N	226.722	4.602	0	10	BJAE	
C[C@@H]1CC[C@@](C)([C@H](N)C2=CCCCCC2)C1(C)C	699015220	VCAYUHCSLMPCMW-UNEWFSDZSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@](N)(CC1CCCCC1)[C@H]1CC1(C)C	704474164	LSTPAIBVFOSTLV-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H](C)[C@H](O)c1ccccc1)CC(C)(C)C	709077098	QVMTYDYQHQTJSI-FMKPAKJESA-N	248.410	4.819	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H](C)CC(C)C	709079992	NNMNQUBWRFGBCA-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCCNC[C@H](C[C@@H](C)CC(C)(C)C)C(C)C	709125189	NXPWGNPBIPYFIL-CABCVRRESA-N	241.463	4.721	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)C[C@H](C)CC(C)(C)C	709138478	ALYVOXVDKIHRLD-HGTKMLMNSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H](C)CC(C)C	709209632	FODYEDIKOWQWFU-KGLIPLIRSA-N	226.404	4.844	0	10	BJAE	
CCc1ccccc1C(=O)[C@H](C)CC(C)(C)C	709250102	SGLKQXZVZICAAL-GFCCVEGCSA-N	232.367	4.504	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1cscc1Cl	710427771	SYCIIZFCCNUJPB-CABZTGNLSA-N	246.803	4.651	0	10	BJAE	
CCC[C@@](O)(C[C@H](C)C(C)(C)C)c1ccccc1	710799760	NFFNDMMNPYDMDK-WMLDXEAASA-N	248.410	4.747	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CC(C)(C)CC	713213036	YFKMBSXAEBMALM-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1CCC[C@H]2CCCC[C@H]21	714304433	OQHXEUWQJKZLGE-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(NCC[C@@H]2C[C@@H]2C2CC2)c1	714865230	MJTQEROSXMUKDT-NVXWUHKLSA-N	243.394	4.658	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCCCC1(C)C)C(C)(C)C	719226806	ZSXOFFDBVNRNFI-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC1CCC2(CC1)CC2	719277247	URJQOGMHTSFGKG-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(C)cc(NCc2sc(C)cc2C)c1	719421619	RZZRKTGGXQMBBX-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
N[C@]1(CCC2CCCC2)CC[C@H]2CCCC[C@H]2C1	723613896	RZUOITDSQWIVCS-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
Fc1cccc(CC2CCCCC2)c1CC1CC1	725386628	CYTYWGXJJXOACJ-UHFFFAOYSA-N	246.369	4.901	0	10	BJAE	
CC(C)c1cc(OCC2CC2)cc(C(C)(C)C)c1	725446267	RDLDWNMTQLWFME-UHFFFAOYSA-N	246.394	4.896	0	10	BJAE	
C1CCC(CCSC[C@@H]2CC[C@H]3C[C@H]3C2)C1	1189831355	HKQHNDSXFRTDLM-QLFBSQMISA-N	238.440	4.736	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1NC[C@H]1CCC=CCCC1	1308975314	TTYZLOHFCJJGRF-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
c1ccc(SCC2CCC3(CC2)CC3)cc1	1458821676	PXSOFDLRZYVZDN-UHFFFAOYSA-N	232.392	4.749	0	10	BJAE	
CC[C@@H]1CCCCCN1CC1CCC2(CC1)CC2	1559552834	MNKNEXOFZVHWSC-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC(CNCC2CCC=CCC2)CC1	1560598994	XEUDOUVCDLGNJM-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C[C@H]3CCC[C@@H]32)CC1	1621099630	GWXRLJVKGDEMOE-VNQPRFMTSA-N	249.442	4.514	0	10	BJAE	
CC1(CCN[C@H]2CCCCC23CCCCC3)CC1	1875419429	MQHLEEVGILUYFE-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
C=C=CCCCC(C)(C)C(F)(F)CC	1885694829	VSRVLNIOPHXVKK-UHFFFAOYSA-N	202.288	4.569	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCCCC[C@@H]1N	1900695523	GYDSOWXUSYKQFC-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
CC(=CC[C@H]1CCC(=O)C1)CCCC(C)C	1900827939	URBSGLDERBVMDV-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
C1=C[C@@H](CC[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	1901143717	KTEKJXSNOWNGFF-FXUDXRNXSA-N	218.384	4.949	0	10	BJAE	
CCCCCCc1ccc(C2(C)CC2)cc1	1901881902	XSBWMSHIMUBCGY-UHFFFAOYSA-N	216.368	4.861	0	10	BJAE	
CCC[C@H](CC)C[C@](O)(CC)C[C@H](C)CC	1905384758	XYLYIVWHCVKWAH-ILXRZTDVSA-N	228.420	4.780	0	10	BJAE	
CC(C)NCC(=C[C@@H]1CC1(C)C)C1CCCCC1	1911792783	LYBUYQSGVDDOCS-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)[C@H](CCC=Cc1ccccc1)NC	1912104263	XTGOQJBXHOSFDU-WBVHZDCISA-N	245.410	4.504	0	10	BJAE	
CN[C@@H]1CCCCCCCC[C@@H]1C[C@@H]1C=CCC1	1913410195	ILGHMFHJEXMUPA-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@](N)(CCCC(C)(C)C)c1ccc(C)cc1	1919458473	MCJGZOLPBRICLA-QGZVFWFLSA-N	247.426	4.775	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)[C@@H]1CCCC12CCC2	1921613792	QQRHDIOCSVCERO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(CN)CCCC23CCC3)C1	1921656421	GPECGVYYUPEXKP-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
NC[C@H]1CCCC2(CCC2)[C@@H]1CCCC1CCC1	1924897075	QYIRSYMOERHUKX-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@H]1C=CCCCC1	1925796345	XDYFESYZNYZIHC-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
CCCCCC[C@@H](O)CC1(C)CCCCC1	1935621975	BQZMYQYDMJPSLD-CQSZACIVSA-N	226.404	4.678	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CCC(C)=C(C)C	1936210036	WFCOPARAQNKYIZ-CABCVRRESA-N	225.420	4.523	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1csc(CC)c1	1936758245	FIIRRSWTAHDAHC-FZMZJTMJSA-N	239.428	4.527	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](CC)c1ccsc1	1937264897	DSBXZSMDJXOKGO-JSGCOSHPSA-N	239.428	4.615	0	10	BJAE	
CCCNC[C@@H](C)[C@H](C)CC1(C)CCCCC1	1940411207	VBYFUICZTRJWKC-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC1(CCCC(=O)C2(C)C(C)(C)C2(C)C)CC1	1940885267	XZMHTFGAQNMQRP-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CCC2CCC2)CC1	1941470441	QEOQNIKWMYBTCM-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](C[C@@H](N)CCCCCC1CC1)C(C)(C)C	1941587177	PWUDGPDSTDDLNU-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)C1(C)CCCCCC1	1942653319	PHZAZKFBJBRJBS-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC([C@H](N)CCCC(C)(C)C)C[C@H](C)C1	1943048585	AAFBDMMEXRZMBD-UMVBOHGHSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@@H](O)C(C)(C)C1CCCCC1	1944619334	WPIULTUNMPXIFR-OAHLLOKOSA-N	238.415	4.700	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CCC[C@@H]1C)CC(C)(C)C	1944790171	MEKYNWKOQVTFRS-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H]1CNCC[C@@H]1CCCCCC(C)C	1944889997	FIHKRGKSFZPAGF-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](CC)(CNC(C)(C)C)[C@H]1C[C@@H]1C	1945829534	VYZLOYWPRGTNMW-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCc3ccsc32)c1	1946348341	UKZPZLGQOCQRRL-CQSZACIVSA-N	243.375	4.546	0	10	BJAE	
CCCCC[C@@]1(O)CCCCCCCC1(F)F	1947510212	MEQHXLFEFFHSTH-CYBMUJFWSA-N	248.357	4.677	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@@H](C)CCC(C)C	1948846639	GBOMKSZTUXHDEH-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CC(=O)[C@H]1CCC(C)(C)C1)C(C)(C)C	1949500983	IUQUKLILDBWOTI-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC1(C)C[C@H]1CCCC[C@@H](O)CC1CCCC1	1949869767	KEDDLBQRZWJOMQ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCC1(N)CC2(CCC(C)CC2)C1	1950559165	HGCUKWPZDNKQBZ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CN1CCC[C@@H]1c1ccco1	1964139080	ZEYOYAIISLETAO-LSDHHAIUSA-N	249.398	4.633	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC1CCC2(CCC2)CC1	1967794354	WGWWNJKBYRPSBU-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](NC[C@@]1(C)C=CCCC1)C1CCCC1	1967837960	WQWHQVFFHCTJTD-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@H](c1ccccc1)N(C)C[C@H]1CCC(C)(C)C1	1968437639	WGLMIXAGFWFXJO-CABCVRRESA-N	245.410	4.506	0	10	BJAE	
CC(C)(C)C1CCC(N[C@@H]2CCC23CCC3)CC1	1972259879	QUFBKCIMUDZOSU-YMAMQOFZSA-N	249.442	4.514	0	10	BJAE	
CCCSc1ccccc1NC[C@H](C)CC	1975964046	FTMYRMNWWHCKPB-GFCCVEGCSA-N	237.412	4.647	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cc(C(F)F)cs1	1977079868	YXEUVVGTVZHQIA-GZMMTYOYSA-N	247.354	4.512	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC(=O)C[C@H](C)C1	1982565524	GKOSRYXQCITUCP-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CCCC1CCC(CC[C@](C)(O)CC)CC1	1989809428	GGEHTLJODLZOBO-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
C1CCCC(N2CCCC23CCCCC3)CC1	1995827157	QZGPJDYVMUQBGM-UHFFFAOYSA-N	235.415	4.508	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@@H]2CCCCC2(C)C)C1	1996238076	OKHQATBEMSXXSU-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)CC2CCCCCC2)C1	1996239936	WOBNYRWHIDONBM-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCC1CCC(O)([C@@H]2CCCC(C)(C)C2)CC1	2000026273	BGHKHWMCVWZDKO-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)c2c(C)csc2C)C1	2000181275	FXASDXLVEXWJKJ-TVQRCGJNSA-N	248.391	4.540	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C(CC)(CC)CC	2000215444	VHUWVPYVCXOTJB-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@H]1CC12CCCC2	2001265071	JNUVTXBSIREHTP-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002222550	PGFXFWVIUNTEJH-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)[C@H](O)C1CC(C(C)(C)C)C1	2002298669	CHZZXSLWTYJITQ-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H](C)CC(C)C)CC1	2002926177	ONEZEFWNNUEEFP-QVOMUQBLSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1C[C@H]1CC1(O)CCC(CC)(CC)CC1	2004353295	PAUOJVUKNCSGQS-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(CO)CCCC[C@H]1C	2005583308	NHVIKTUITNTVAK-IIAWOOMASA-N	240.431	4.638	0	10	BJAE	
CCN[C@@H](C(C)(C)C)C1(C)CCC(C)(C)CC1	2007696808	NFQYCXBGIILMTP-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](NC)C1(C)CCC(C)(C)CC1	2007699224	WVOAUIVKKBAPHZ-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)cc([C@@H](N)C=C2CCCCC2)c1	2007945823	UWCCQARJNGEQOF-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CCCCCC[C@H]1CCC(C)(C)CC[C@H]1NC	2009408429	UEYJCDLKTLQGOZ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC[C@H](C)CCC1=O	2009412627	ZDVXCBSOUXMCPD-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](NCC)C1=CC[C@H](C(C)(C)C)CC1	2010711563	BOYYHYFHNSDJMS-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@H]1C)C(C)(C)CC	2011576613	MVHKMHOIRABBHN-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CCC(C)C)NCCC1CCCCC1	2013262475	BPEYPBBRVCPOMJ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CCCC(C)(F)F	2013309026	LZGCFEQPWRVWGH-ZDUSSCGKSA-N	249.389	4.568	0	10	BJAE	
CC(C)[C@H](C)C[C@@](C)(O)[C@H]1CCCC(C)(C)C1	2015291880	WMEURINKLNYUQX-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CCCC[C@H](N)C(C)(C)C)C(C)C	2015344288	JIYUDVJGFSWAIE-HNNXBMFYSA-N	241.463	4.848	0	10	BJAE	
CCCC1(CC(=O)[C@H]2C[C@H]2C(C)(C)C)CCC1	2015584366	IHUDVTAGKUNXLY-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccc(CF)cc1	2016146609	YESUOGYXCKXTSO-CYBMUJFWSA-N	235.346	4.703	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@@H](CC(C)C)C(C)C	2017474386	CRZSCDICIHWPPW-HOTGVXAUSA-N	239.447	4.639	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)C[C@H]1CC[C@H](C)CC1	2017649933	BBKULHBXKDLUEB-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(O)CC2CC2)CC1	2017650209	DQONUYURYVVXIM-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@H]2CCC[C@@H]2C)CC1	2017663463	TXTCOKZOJJDHSK-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(C[C@H](N)CC2(C)CC2)CC1	2017723864	LQIKGOXIPHBHRM-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H](C)CCC)CC1	2017776962	WUSQXIWCYGTRFP-NFOMZHRRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)N(C)[C@@H]1CCC2(CCCC2)C1	2018183317	WXOHFQVDYFYSNS-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@H](CCC)NC[C@]12CCCC[C@@H]1C2	2018588073	QZJWHHUOFGXHFY-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@@]23CCCC[C@H]2C3)c1	2018588524	VDNWSZWQQSPYEZ-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC(C)(C)[C@@H]1O	2020399153	FENOYJYCQVLQQJ-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)CCCCC(C)(F)F	2023435674	BEXVKZVJGBRJSR-GFCCVEGCSA-N	249.389	4.568	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C1CCC(C)CC1	2026165386	AYRNXQDOKVFQRD-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H]1C[C@@H]1CCC	2026169882	LRQQAKNQLQXRSW-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CC(C)N[C@@H](C)[C@H](C)CCC=Cc1ccccc1	2027000818	XXIJZHFWWKMUIV-CVEARBPZSA-N	245.410	4.503	0	10	BJAE	
CCN[C@H](CC)CCCc1ccccc1C(C)C	2027498536	HARNPFYQCJOIIB-MRXNPFEDSA-N	247.426	4.521	0	10	BJAE	
C[C@@H](C[C@@H]1CC2CCC1CC2)c1cccc(N)c1	2027955508	CJTRJLOFLJZXIU-WLIAPVHPSA-N	243.394	4.589	0	10	BJAE	
CCN[C@@H](c1ccc(CC)cc1)[C@@H](CC)C(C)C	2028252779	QUVZKVNRTIEURF-IRXDYDNUSA-N	247.426	4.582	0	10	BJAE	
CCN[C@@H](c1cccc(C2CC2)c1)[C@@H](C)C(C)C	2028551106	CBCGXDOYUCAJDP-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CCc1ccc(NCC2CCC=CCC2)cc1C	2028900674	QZEKEXRQQHTFNZ-UHFFFAOYSA-N	243.394	4.716	0	10	BJAE	
CC1(C)CCC[C@@](N)(C2=CCCCCCC2)CC1	2037074573	SJGRISAXOXLQAN-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
Cc1cccc2cc([C@H](N)CCCC(C)C)oc12	2037090393	PCIDZZYXIHFIES-CQSZACIVSA-N	245.366	4.567	0	10	BJAE	
C[C@H](C[C@H]1CCCCN1)[C@@H]1CCC2(CCCC2)C1	2037695378	RQAUHMUFTFIEPH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(NC2C[C@H]3CCC[C@@H]3C2)cc1C	2038623491	TZDHTVBPINQDSX-HUUCEWRRSA-N	243.394	4.548	0	10	BJAE	
CC1CCC2(CC1)CC(N)([C@@H]1CCC[C@H](C)C1)C2	2038942048	YXPXBJWSLHLAEB-CHTYNLMKSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)cc(C(=O)[C@@H]2CCC[C@@H](C)CC2)c1	2039375838	PUOFUGQLQYGSJK-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)C1CC(CN[C@H]2C=CCCCCC2)C1	2043024286	KZZXEBYXIAZBCU-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N(C)C[C@H]1CCC=CCCC1	2045314797	NNAGDKCFIKUTKB-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
N[C@H](C[C@H]1CCC=CCCC1)C1CCCCCC1	2045315300	SFTOYDFUNYKDPH-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1CCC(CN)(C[C@H]2CCC=CCCC2)CC1	2045316456	DRXVQGUJLQDLJU-CGZBRXJRSA-N	249.442	4.668	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCC=CCCC2)c(C)c1	2045330778	YUTWVOOMZGTEIR-MRXNPFEDSA-N	243.394	4.852	0	10	BJAE	
CC[C@H]1CCC[C@H]1NC1CC2(CCCCCC2)C1	2046233875	UPPWWCLKYDKNOM-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)NC[C@]1(CC2CCC2)CCC12CCC2	2047946292	GRKUTDOQNNUUDH-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC12CCC2)CC1(C)CC1	2048883841	YQEZVJPRJKPXPF-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@@](C)(N)C1CCC(C(C)C)CC1	2049414200	FLHDAOPRXXISFI-OFLPRAFFSA-N	249.442	4.689	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCN1)C[C@H]1CCCC2(CC2)C1	2049859200	QGHSCXBDBYJQJM-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)CC2=CCCCCCC2)cc1	2050460344	HWWRLCWYNNZTHH-UHFFFAOYSA-N	242.362	4.848	0	10	BJAE	
C[C@H]1CCC[C@H](N(C)C2CCC3(CCC3)CC2)C1	2051644837	HQPCMHHQHXEJBO-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CC2)C1CCCCCC1	2053316686	VYSMVUQBUYBQTE-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1C=CCCC1(C)C	2055529828	YOSYDXSWYHGUST-LSDHHAIUSA-N	249.442	4.680	0	10	BJAE	
CC1CCC(C)(C(=O)CC[C@H]2C[C@H]2C2CC2)CC1	2056535369	BLRDCDRMNGXCBD-MTKIKNGMSA-N	248.410	4.598	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2056783844	ZOJYWVOERJQCFU-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CC1CC(C)(C)C1	2056873589	OSIIIDNPBVVQGZ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(C(=O)C2CC(C3CC3)C2)CC1	2057825522	BJGCFOVGJGRFEU-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CC[C@]12CCCC(C)(C)C2	2058161024	PZZGIDHTJBAXEK-VYDXJSESSA-N	249.442	4.610	0	10	BJAE	
CCCC1CC(N(C)[C@@H]2CCC3(CCCC3)C2)C1	2059479784	OMLHLFHQLSSVJN-HWOWSKLDSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC([C@H](N)C2=CC[C@@H](C(C)(C)C)CC2)C1	2061091449	JENAGVOGRQZLCU-HUUCEWRRSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)[C@@H]1CCC[C@@H]1C	2061091974	MJAYXFMBPUFMDD-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)[C@H]1CCC[C@H]1C	2061091975	MJAYXFMBPUFMDD-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CC1=CCCC[C@@]1(N)C1=CC[C@@H](C(C)(C)C)CC1	2061120377	XDAYTOAJMJUFSQ-PBHICJAKSA-N	247.426	4.587	0	10	BJAE	
C=C=CCC[C@]1(CNCCC)CCC[C@H](CC)C1	2061563489	PJRHGGLLCAENLQ-IRXDYDNUSA-N	249.442	4.694	0	10	BJAE	
CCCC[C@H](CC)CNCC1CC(=C2CCC2)C1	2061641458	SMJNITXQOCSVLN-AWEZNQCLSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](CCC1CC(=C2CC2)C1)CC(C)C	2061742158	VEMBSUUACZURBR-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@H]1CCNC2(CCC2)C1)C1CCCCC1	2063231759	DQXSFQRFXBVSJL-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC2CC=CC2)CC(C)(C)C1	2063628944	VJHQSYGSDRBNPQ-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@H]1CC(=O)CC(C)(C)C1)c1ccccc1	2063717003	YIRQBMGHHMLONV-KGLIPLIRSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)CC23CCC(CC2)CC3)C1	2065281798	JYIKDEJTLOWODG-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
CC(=CC12CCC(CC1)CC2)c1ccc(N)cc1	2065332638	JHTDEGHNRFLDNP-UHFFFAOYSA-N	241.378	4.643	0	10	BJAE	
CCN[C@H]1CCCC[C@@H](CC23CCC(CC2)C3)C1	2065340132	SGZAYOUGLZOYSN-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC12CCC(CC1)C2	2065340434	WEELDGZASHEGLA-XGHPGWEVSA-N	249.442	4.645	0	10	BJAE	
CCCCC(C)(C)Nc1ccc2ccccc2n1	2066392091	GPALZWCVYIPEQM-UHFFFAOYSA-N	242.366	4.616	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)C[C@@]12CCC[C@H]1C2	2070971860	PLWYLPVGKWZYKW-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(CC(=O)C2CC[C@H]3C[C@@H]3CC2)CCC1	2071913075	MWURGFFNSDLNEG-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(C[C@H](NC)C2CC=CC2)CC1	2072792464	AGMPSOCDUZSDHG-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](C)CC1)C1(C)CC=CC1	2072796543	PMELWRYBQRGMGD-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CC23CCCCC3)CC1	2072798954	OGGQLJMGFHNCPE-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCC1CCC(C[C@]2(CN)C=CCCC2)CC1	2072799991	ZEUCKWLDEBVEQS-JCYILVPMSA-N	249.442	4.668	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@H]2CCCC=C2C)CC1	2072803021	DDWHZIOKIXCXHQ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)[C@@H]1C=CCCCCC1	2074808749	GNJNOCUFNVGXQD-IAGOWNOFSA-N	249.442	4.776	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)[C@H]2CCCC3(CC3)C2)C1	2074894167	ZNYAGFXHKWICMR-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc(N(C)[C@@H]2CCC23CCCCC3)cc1	2075013091	PDYPQAONMGMUSP-MRXNPFEDSA-N	243.394	4.544	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1c(C)oc(C)c1C	2077189481	INUIGCHFSHFNBU-MRXNPFEDSA-N	249.398	4.602	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1	2077360236	OJLRWHSWOKPZLD-OFQRWUPVSA-N	243.394	4.540	0	10	BJAE	
NCC1(C[C@@H]2C[C@@H]2C2CCC2)CCCCCCC1	2079312468	QDRGEZYQQDNPTH-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
N[C@H](CC1CCCC1)[C@H]1C[C@H]1C1CCCCCC1	2079426639	CDWJISALEPKGFX-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(OC[C@@H]2C[C@@H]2C2CCCC2)c1C	2079804237	PEKOYHZWRGYNRW-JKSUJKDBSA-N	244.378	4.509	0	10	BJAE	
CCCCN(C[C@@H]1C[C@H]1CCC)c1ccccc1	2079892175	YIYBNVKAQAXZKG-CVEARBPZSA-N	245.410	4.729	0	10	BJAE	
CC=CCCCN(C)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2081147851	KJIRNLQRWVHSGC-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CCc1ccccc1[C@@H](C)N[C@@H](C)CC(C)(C)C	2081218979	PGSKLAZGPUCYDG-UONOGXRCSA-N	247.426	4.724	0	10	BJAE	
C(CN1CCC[C@@H]1C1CCCCCC1)=C1CCC1	2081803397	YINMJPPBDCHOOD-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
CCN[C@@H]1CC(C)(C)C[C@@H]1C[C@@H]1C=CCCCC1	2082225110	MHPMSTNXUVEAHT-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](C)NCc1cc(C)cc(C)c1C	2082905253	IFAIJYXPXDRVIM-OAHLLOKOSA-N	247.426	4.670	0	10	BJAE	
CC1(C)CC(CC2(CN)CC=CC2)CC(C)(C)C1	2082976071	OCCNHSFHRWAHRK-UHFFFAOYSA-N	249.442	4.524	0	10	BJAE	
CCC1(CC)[C@H](N)[C@@H]2CCCC3(CCCCC3)[C@@H]21	2083274289	YIQAIFMMDISGEL-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCCCCCc1ccc([C@H](O)C(C)C)s1	2210511002	BUFUKQNEOBOSKD-CQSZACIVSA-N	240.412	4.560	0	10	BJAE	
CCC[C@@](N)(CC)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213296070	GTTFYWTUIHKPDE-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](O)C[C@@H](C)CC(C)(C)C	2215237334	OZCVTOSACKVDPF-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)[C@@](C)(O)CCCCCCCC1CC1	2216862783	LUWSKDGKNFMAGC-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CC[C@@](O)(CCCCCCCC1CC1)C1CC1	2216896096	IFNSETYGYWKBPX-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)NC[C@H](CC)CC1CCC(C)CC1	2217144251	DDCCHBZKDVVQBE-PWUWZPNHSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)C1C[C@H]2CCC[C@H](C1)C2	2218342237	ZSWLZQDPSRGCRG-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)C/C=C/c1ccccc1	2219047919	NCMBWNSIZJWTLL-YCQAZKISSA-N	246.394	4.523	0	10	BJAE	
CCCC[C@@H](CC)N(C)C/C=C/c1ccccc1	2219077380	BNZPPYFDKKCGSN-JIIJFUIFSA-N	245.410	4.600	0	10	BJAE	
CC[C@@](N)(CCCCC1CC1)c1ccc(C)cc1	2220042563	UTJVSEPVAYMQBK-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2C[C@@H](C)CN[C@H]2C)CC1	2220374084	CHXZZALLABCTGT-QKPAOTATSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](C)Nc1cc2ccccc2cn1	2220427518	KPUGSFMECGKIRO-CYBMUJFWSA-N	242.366	4.616	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@]1(C)CC=C(C)CC1	2221632365	QJUCWXTZJZRRAO-DLBZAZTESA-N	247.426	4.623	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC[C@H]2C[C@H]2C2CC2)CC1	2221646987	YQFVMQYMSHRFPY-ZOBUZTSGSA-N	246.394	4.518	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C1(C(C)(C)C)CCC1	2221999234	HDFPOXPOVCIHPD-HNNXBMFYSA-N	245.410	4.520	0	10	BJAE	
C[C@]1(NCCCCCCCC2CC2)C=CCCC1	2223120517	QJDYJWBSDYLACS-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)C(C)(C)F	2244844438	AHEYUMPNDDPJBR-LBPRGKRZSA-N	230.367	4.546	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)c2csc(C)c2C)CC1	2246368622	MFZTWMMGYCDFNP-LSDHHAIUSA-N	249.423	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC1(C)CC(C)C1	2246457100	NCSZPYOEMWQNSU-FYRZTWFESA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](O)CCCC2CC2)C1	2246695910	QCQPLZUXGUYKLT-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H](CCSc2cccc(N)c2)C1	2246724199	CNDNKPAEPHDSJY-QWHCGFSZSA-N	249.423	4.577	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CC(C)(C)CCC1=O	2247098833	LYBPBHOWKWQGCB-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC)CC(O)(CCCC[C@@H]2C[C@@H]2C)C1	2247119963	BPXGEWRUGRYTGH-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CN(CC1=CCCCC1)C1CCCCCCC1	2247467501	XQORJSIBYGODTH-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C[C@@H]1CCCC12CC2	2247649548	BWOQBZASFFPGRB-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCCCCN1	2250476236	NUWOIOHYWRRTCR-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC[C@](F)(CC[C@@H](C)CCCC(C)C)[C@H](C)N	2250482696	VXFOBJNBTBCGGO-KKUMJFAQSA-N	245.426	4.695	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@]12CCCC[C@H]1CC2	2251157243	GXJBUFLWBRRXSL-XJKSGUPXSA-N	236.399	4.742	0	10	BJAE	
C/C=C/CCC[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251718521	LYDMZXRFEXGQBF-KTRBRXNASA-N	236.399	4.764	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)C2CC3(CCC3)C2)C1	2253939066	PTRKOQJVOHBUJY-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CC(C)CNCC1(CC2=CCCCC2)CC(C)C1	2255089430	ONHKFUBRKQSQSM-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
N[C@@H]1CCCCCCCC[C@@H]1CC1=CCCCC1	2255092946	XGVGFJZFQVADEP-IAGOWNOFSA-N	249.442	4.955	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC1(N)CC(CC2CC2)C1	2257313108	CFPAPKXSJQXSPJ-PXZKZTPFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cccc(C2(C)CC2)c1	2259476810	DEHXATLTINXNJJ-CJNGLKHVSA-N	245.410	4.564	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@]23CCC[C@H]2CC3)CC1	2260572605	BXVJXEUEAAAIBH-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@]23CCC[C@H]2CC3)c1	2260576370	YVXFFDOAXZDRNK-RDJZCZTQSA-N	242.362	4.538	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCCCCC2(C)C)C1	2298882367	VHHFNTRXJCKPFZ-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@H](C)CC1CCC1	2298938140	DJTMETYJAATNIW-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@](C)(CC=C(C)CC)CNCCC	2300860297	FYLIIWLIEWDAKT-INIZCTEOSA-N	239.447	4.929	0	10	BJAE	
CCC(C)=CCN[C@H]1CCC[C@@H](C(C)(C)C)C1	2300860720	JYNFCXFFGZQLIV-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H](C)C(C)(C)C	2300878584	AOWNLXPVTFYCTL-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)CC1CCCCCC1	2301236179	KDZULBOOHDUAFR-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](C[C@@H](C)[C@@H](C)C(C)C)NCCC	2301833813	ULMUFSLCUOLOPK-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)[C@@H]1CCCCC1(C)C	2301838788	FXSQNEYMXXJADB-MJBXVCDLSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)CC[C@H](O)CCC1=CCCCC1	2301934224	BJJHRNJDVYKEBF-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H]1CCCCN([C@@H](C)[C@@H](C)C(C)C)C1	2301968478	RDCCZBZHUPIRDM-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CC1=C(C)C[C@H](CNCCCC(C)(C)C)CC1	2303552252	IUJVTRXDNSXRAJ-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(N[C@H](CC2CC2)C2CC2)c(Cl)c1	2303792715	ROBRKQDBKWKOQV-OAHLLOKOSA-N	249.785	4.639	0	10	BJAE	
CC(C)CC[C@](C)(N)CC[C@@H]1CCC(C)(C)C1	2304434568	JYHYXGXPUCXQOL-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](C[C@H]1C[C@H]1CC)NCC	2307820264	WIOCCCVGQLSZCT-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@H]1CCCC12CCC2	2307907094	BAKHQXCJUQNXAU-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@@H]1CC[C@@H]2C[C@H]12)NCCC	2310192308	WMNHOXMYWZAAKI-AXRXUNOHSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@H]1C1CCCCC1	2311525226	HSFPJMDKDPNGAA-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N[C@H]2C[C@@H]3CCCC[C@@H]32)cc(C)c1C	2313088151	NSHQWXOQGPRQRS-XIRDDKMYSA-N	243.394	4.602	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@@]12CCC[C@@H]1CC2	2313295881	REYFLAUQNUUQIF-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H](C)CC2CCC2)cc1	2313660771	SKGNQROOYBXXEF-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](C(CC2CC2)CC2CC2)C1	2313692980	SPVJJMLRKRJNAL-BLLLJJGKSA-N	248.410	4.598	0	10	BJAE	
CCC(C)=CC[C@H](C[C@H]1CCCCC12CC2)NC	2316535164	FVSXZBIPUDGWEX-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)C[C@H]2C=C[C@H]1CCC2	2316669251	ZZJJDGSAWKDVRU-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCCC1	2316886919	ZDHCZBCZKWNCFJ-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@@H]1CCCC12CC2	2317015064	FJPMJSFITUDHAB-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317119970	AWTWOFFIVRMTFT-ANQUJSFKSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1ccc(CN[C@@H](C)[C@@H](C)C(C)C)cc1	2317668692	ZZHTVWWHOMRBBI-GJZGRUSLSA-N	247.426	4.580	0	10	BJAE	
N[C@H](CCCCC1CC1)CC1CC2(CCCC2)C1	2318878074	PADLLLJBWBOGEA-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H](C[C@]2(N)CCC3(CCCC3)C2)C1	2319032347	XKDUJNHODNDIAG-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(CC)C(=O)c1cc(F)ccc1C1CC1	2319179310	XRDJTRPWUUUDSV-UHFFFAOYSA-N	248.341	4.712	0	10	BJAE	
CCc1ccccc1OC[C@@H]1CC[C@@H]1C(C)(C)C	2320252641	ILIRZQZAHUFUGO-GJZGRUSLSA-N	246.394	4.700	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CC[C@@H]2C(C)(C)C)c1	2320258131	KFECTBGRFQFIES-HIFRSBDPSA-N	244.378	4.640	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H]2C(=O)C[C@H]3CC[C@H]2C3)CC1	2320336822	IVLJDFBMBBVCIR-VGWMRTNUSA-N	246.394	4.518	0	10	BJAE	
CC(=C[C@@H]1CCC(C)=C(C)C1)c1ccc(N)cc1	2320339460	DSSYUZVFIWUWPL-OAHLLOKOSA-N	241.378	4.809	0	10	BJAE	
CC(C)c1cccc(NCCC[C@H]2C[C@@H]2C)c1F	2327777414	GGLMOUVAJMVHHZ-STQMWFEESA-N	249.373	4.797	0	10	BJAE	
CCCCCCc1ccc([C@](C)(O)C(C)C)cc1	2327910722	NHHCYFBTXOWVER-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1cc(C)cc(C)c1C	2328290251	DBPWXKLPBGUITK-WBVHZDCISA-N	247.426	4.828	0	10	BJAE	
CC[C@@H](NC1CCCCCC1)c1cccs1	20012061	NMANKVPRYGYQAC-CYBMUJFWSA-N	237.412	4.512	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)c1cccs1	20520342	URVMHODLZDVZBY-QWHCGFSZSA-N	239.428	4.758	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@H](O)C1CCCC1	36171577	YQYFZLTWXYPBPM-MRXNPFEDSA-N	246.394	4.516	0	10	BJAE	
C[C@@H](N)c1cccc(-c2cccc3ccccc23)c1	38070148	MJRMRPZMBFIQKF-CYBMUJFWSA-N	247.341	4.527	0	10	BJAE	
CCCCCCOc1ccc(C=O)cc1C(C)C	66153206	OLOXHTKTMKCQLA-UHFFFAOYSA-N	248.366	4.582	0	10	BJAE	
CCCN[C@@H](CC(C)C)C1CCC(CC)CC1	85079820	JEMOGVAONPODAU-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(CC2CCCC2)CC1	87187750	DAPKZXKTZDTPPJ-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)[C@@H](N)C(CC)(CC)c1ccccc1	94676558	KABWNFVXTMNTKK-MRXNPFEDSA-N	247.426	4.508	0	10	BJAE	
Cc1ccc(C)c(OCc2cccc(Cl)c2)c1	105570582	FXRBWOWUMKLBAD-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(OC)c(C)c1	109931847	NIEXGZMSVGBFON-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
O=C(CC1CCCC1)c1ccccc1C1CCC1	128269396	RJPWFGBKPCISMM-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
Cc1ccc(-c2nc(C(C)(C)C)cs2)c(F)c1	131886711	BWYDLBRCJHRLTB-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CCCN[C@H](CC(CC)CC)c1cccc(C)c1	148238372	UFEVCNRTUCEHDW-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCN[C@H](CC(C)C)c1cccc(CC(C)C)c1	165733768	VVEKJXKCVBXYNG-QGZVFWFLSA-N	247.426	4.582	0	10	BJAE	
CCCCCC[C@H](O)C1(CC(C)C)CCCC1	168244638	HVWLIOPROTVQAU-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1cccc(C2CCC2)c1	169088913	XSFGNUYGKUCVJM-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
Clc1ccccc1C/C=C/c1ccccc1	223034946	SPMYKDJYZJJYTK-RMKNXTFCSA-N	228.722	4.596	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCCC(C)(C)CC1	224947081	JEGFPVOXLYLBAG-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@H]1CCCC[C@@H]1CC	225384786	MKTGQPYQGQTNIQ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCC[C@@H](CC)C1	225988701	GIHORNAWWOBQKZ-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](O)c2ccc(C(C)C)cc2)C1	227447473	HRSGSFYXGKRASC-COXVUDFISA-N	246.394	4.670	0	10	BJAE	
CCN[C@@H](CCC1CC1)C[C@@H](C)CC(C)(C)C	229556977	OIJSBAFSKBZJKU-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)C1CCCC1	233106357	DHWVUOYPUZADGU-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC2CCCCCC2)CC1	235699242	NSPKTVWAOFJLJV-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H](C)C(C)(C)C)CC1	252904247	PXKNIQBZJZMTDS-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H]1CCCC1(C)C	300289938	XEDWYEXOKFVVMS-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)[C@H](N)[C@@H](c1ccccc1)[C@H](C)CC	300472460	YHZZSCPQQBUDFP-WTTBNOFXSA-N	247.426	4.580	0	10	BJAE	
CCC[C@@](O)(CCC1CCCC1)c1ccccc1	302263408	PGYNZDHUUWXEMA-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
CC(C)C[C@H](C)[C@H](CNC(C)(C)C)CC(C)C	302535593	HJHWYVGHHBMRNM-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)([C@H](C)CC(C)C)CC1	302604489	WWOKBXHRVQREBG-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCc1ccc(N[C@H]2/C=C/CCCCC2)cc1	306057410	XYEYCMZKGHUJFO-VFADXPBXSA-N	229.367	4.550	0	10	BJAE	
CCc1c(Cl)cc2ccsc2c1SC	306896128	OTRBIMRJNGIRMS-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@H]2CCC[C@H](C)C2)C1	310111761	FTJXOTBWGCZJKV-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC1CCCCCCC1	310306563	RKEROBQJOXHJCN-AWEZNQCLSA-N	239.447	4.904	0	10	BJAE	
CCC1(C[C@H]2Nc3ccccc3C[C@H]2C)CCC1	310950165	LVWULMFKJMJRIC-CZUORRHYSA-N	243.394	4.630	0	10	BJAE	
CC1(C)CCC(CC[C@@H](O)c2ccccc2)CC1	311109326	MCTQZTDBZKIXKR-MRXNPFEDSA-N	246.394	4.717	0	10	BJAE	
Cc1cccc([C@H](O)C[C@@H]2CCC[C@@H](C)C2)c1C	311136113	RZRMDIUYAIMXFT-SRCQZFHVSA-N	246.394	4.553	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1N[C@H]1CCCC12CCCCC2	313005513	BWORSQUQGATUPW-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CC(C)NC[C@@]1(CCC(C)(C)C)CCC[C@@H]1C	317524500	GFKPIQHOYMVPGF-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](Nc1cccc(Cl)c1)C1CCC1	322766627	DYWBDUKRUJECPU-AWEZNQCLSA-N	237.774	4.721	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@H](C)C[C@@H]1C	383276663	ZVTOTBOREQCMIH-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(OC[C@H](C)C2CCCCC2)c(C)c1	386805893	NEZLIPQBDGFDTP-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC1(CC)CCC1	390352127	PNTXIWNQNGRJNQ-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCc1csc2cc(C(F)F)cc(C)c12	396201425	PUHMPISUYGFOOJ-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H](C)C(C)(C)C	399089314	WEEYUJZMPPYBRS-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CN[C@@H]1C[C@@H](C)CC[C@H]1C(C)(C)CC1=CCCC1	400384981	JPVBAAYFKVVWFP-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCc2c1[nH]c1ccc(C(C)(C)C)cc21	527397211	WGNVOTRECJTYPV-LLVKDONJSA-N	241.378	4.905	0	10	BJAE	
CC[C@@H](C)CC1(CN)CC(C)(C)CC(C)(C)C1	688347117	MBYPQZZOEKRTGL-CYBMUJFWSA-N	239.447	4.604	0	10	BJAE	
CC[C@@H](CC(=O)CC1=CCCCC1)CC(F)F	688867702	KQYKXTPDEFMUEC-NSHDSACASA-N	244.325	4.518	0	10	BJAE	
CC[C@H](C)Nc1cccc(-c2ccccc2)c1	689639042	CFJBPOICKJDGMN-ZDUSSCGKSA-N	225.335	4.564	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H](C)CC1CCCC1	689810678	VYXKBCOLQHGNPL-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cccc(C2CC2)c1	690151825	FJKFWQPDTFMUCW-LRDDRELGSA-N	229.367	4.555	0	10	BJAE	
CC(C)c1ccccc1[C@@]1(O)CCCCC[C@@H]1C	691039655	PUWFYKOIERCYAR-WMLDXEAASA-N	246.394	4.598	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCCC[C@H]1C	691097264	GLRZCMPLISXKHU-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@@H]2CCCC3(CC3)C2)C1	695982721	GPFKFHZKISITMV-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1ccccc1Cl	696566224	FHTKRKAOLIRCBA-CYBMUJFWSA-N	240.774	4.590	0	10	BJAE	
CC(C)=CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1N	697767906	RXLNACSVMCRJDV-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
CCC(C)(CC)C(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O	701041233	AZGYCWZINOHSIK-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](c1ccccc1CC)C(C)(CC)CC	701202891	ARDJAVPCKUWFTE-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccc(C)cc1Cl	704532440	WPCKDQWWWQYIPH-SMDDNHRTSA-N	240.774	4.508	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)CC1CCCCCC1	704843869	HJFXMJQFYVJSCO-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@H](O)[C@@H]1CCCC[C@H]1C)CC(C)(C)C	704854141	LSHNLMPYZHGUTH-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCCC[C@H]1C)C(C)(C)C	704880226	VULYCVJZHPEMQL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](Nc1ccc(C(C)(C)C)cc1)C1CC1	705311432	RINHXCTZIFBBMQ-MRXNPFEDSA-N	245.410	4.831	0	10	BJAE	
CCCCC[C@H](NCC)[C@H](C)CC(C)(C)C	708252620	AOJYMBHHGGZTCN-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C/C(=C/CCNC(C)C)C[C@@H](C)CC(C)(C)C	709084748	MVDVHJXLACEDQX-KQGZCTBQSA-N	239.447	4.783	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)(C)C)C1(C)CCCC1	709101472	JFKPEYXXZODFMU-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)[C@]23CCCC[C@H]2C3)c1	709131412	OKNWXWOXKVLWCO-DVOMOZLQSA-N	247.357	4.515	0	10	BJAE	
C[C@@H](Cn1ccc2ccc(F)cc21)CC(C)(C)C	709257082	FBPQEJYUVMHONM-GFCCVEGCSA-N	247.357	4.853	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H](C)CC(C)(C)C)c(C)c1	709266357	WCOQFPLRPVNRCD-AWEZNQCLSA-N	246.394	4.867	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC(C)(C)CC[C@@H]2C)c1	713056120	CPNUYOPQWBKJGU-GOEBONIOSA-N	245.410	4.930	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCCC[C@@H]1C(C)(C)C	713168926	LKBXPLNTHDJVGM-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CC(C)(C)C)CC1	713182071	IQYRINOADIBQQR-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H]2CCCC[C@H]21)C1CCC1	714321803	IDBSGUOMNWOJOS-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CC1(CC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CCC1	714428145	BQELPOQNIMCVTJ-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCC[C@@]1(CC[C@@H]2C[C@H]2C2CC2)CCCCCN1	714770724	OJOAUJDSVURIKD-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC(=O)CC1CC(C)(C)C1)C(C)(C)C	723531691	CNPMTJZTZBJSCN-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1Nc1ccc(C2CC2)cc1	821905827	HRFVQTDAWGPVAA-MLGOLLRUSA-N	243.394	4.801	0	10	BJAE	
CC(C)NCC(=CC1CCCC1)C1CCCCC1	1877095345	BRUWRCYXVOSYHC-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
C=CC=CCCNC1CCC2(CCCCC2)CC1	1877241991	CLVYAXIWJZCKML-UHFFFAOYSA-N	247.426	4.601	0	10	BJAE	
CCCC[C@@H](CC)CC=CCCNCCC	1884964173	WMVWUKOINGJEJR-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CCCN(CCC(CC)CC)Cc1ccccc1	1887766500	ORRJIJCWTGHICI-UHFFFAOYSA-N	247.426	4.725	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)CCC(C)(C)C	1900699656	CMNTWMQMBIRBFY-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CCC(CC)CCC(=O)[C@@]1(C)C=CCCC1	1900700767	JWOUUHQWFQBQFO-HNNXBMFYSA-N	222.372	4.518	0	10	BJAE	
CCc1cscc1NC1C[C@@H](C)C[C@H](C)C1	1902377815	YLNHCRSIIKBZDO-QWRGUYRKSA-N	237.412	4.547	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C=CCCNC(C)(C)C	1905732949	HTGWTDSEBNUWOP-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2C[C@H]2CC)cc1	1910526031	CJILOUQRJPVTPD-GUTXKFCHSA-N	231.383	4.658	0	10	BJAE	
CCCNCC(=CC(CC)(CC)CC)CC	1911619629	IKTVVXUMGRXFBP-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CCC(CC)[C@@H](C)NCCC=Cc1ccccc1	1911823908	VGGQFXQFOZQZOZ-OAHLLOKOSA-N	245.410	4.504	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)CCC=Cc1ccccc1	1912002891	ZTCRAQOSAJBYQT-WBVHZDCISA-N	246.394	4.667	0	10	BJAE	
CC(C)CCC[C@@H]1CCCCCCCC[C@H]1N	1913405395	SRCQEQUPSUXOPA-JKSUJKDBSA-N	239.447	4.891	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1CCCC1CC1	1913415717	RAQBJECZUBNBLU-OAHLLOKOSA-N	236.399	4.886	0	10	BJAE	
CCCC1CC(CNCC(CC)(CC)CC)C1	1921213896	JMPRREAJQHBRBO-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCNCC1([C@H](C)CCC)CC(CCC)C1	1921291172	BHVQKGSFQVNMJJ-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@@H](C)C1CCCCC1	1924129394	FGLASQABRQBZLS-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)c1cccc(Cl)c1	1925770108	XVFRTMFVWQCDIN-GFCCVEGCSA-N	248.753	4.659	0	10	BJAE	
O[C@]1(C[C@H]2C=CCCCC2)CCC12CCCCC2	1925938666	MHPVORLEOIEADF-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1cscc1Cl	1927981351	YVFFUCAIKCATGT-BXKDBHETSA-N	246.803	4.507	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCC1(C)CC1	1935941642	VYLRPIQWSCEMFN-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC[C@](N)(CCCCCC(C)C)CC1CC1	1939405364	IEBNODFUQHNCQQ-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCC[C@H](C)CC1	1939904668	ZBCBIDWBKFQMEL-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC1(CCCN[C@@H]2CCCCCC2(C)C)CC1	1940866586	DHWMLYCJFOHFLL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CCC[C@@H]1CC1(C)C	1940874374	UIYMMLUXAIWFKC-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@@H](CC(C)(C)C(F)F)NCC	1941595285	OIDDMNUTKVDRTJ-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](NC(C(C)C)C(C)C)C1CCCC1	1942786366	XAECFXMOACMSKU-HNNXBMFYSA-N	239.447	4.616	0	10	BJAE	
CSc1ccc(N[C@H]2CCC[C@H]2C(C)C)cc1	1947468718	OFTRAFOHEFXYAB-GJZGRUSLSA-N	249.423	4.645	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)c1ccsc1	1947594723	ZMVNNEJJCHUJDK-ZFWWWQNUSA-N	249.423	4.535	0	10	BJAE	
CCC[C@@](C)(CCC(C)(F)F)CNC(C)(C)C	1947999042	UUBLDAPDBPXBQD-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC(C)(C)CC1(O)CC2(CCC(C)(C)CC2)C1	1950544193	PKDPAXKFYGNKCT-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)NC[C@H]1CC12CCCCC2	1950623172	MCEKFAAMIKSGOU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCC(=O)CC[C@H]1CCC=CCCC1	1978275114	VJOJTCOCVKYREU-AWEZNQCLSA-N	222.372	4.662	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H]1CCCCCCCC1=O	1980318688	FNNXMCPENHQLRM-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(OCCCC(C)C)c(C)cc1Cl	1989926746	RGDJVJHKJJHZGX-UHFFFAOYSA-N	240.774	4.772	0	10	BJAE	
CC(C)[C@H]1CC[C@H](Nc2ccc(Cl)cc2)C1	1994914596	OCIKLFGAQPIGEA-FZMZJTMJSA-N	237.774	4.577	0	10	BJAE	
CCC1(C[C@](C)(N)C2CCC(C)CC2)CCC1	1996566470	IYNKNFJXBSEMJF-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CCCC2(CCC2)C1	1997044343	YFYBVSMJGVWVPU-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CCC(C)(C)C)CC1	1997114370	DWPWJGSOJGEIKP-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)C1CC(C)(C)C1	1998645382	JRDIHJMDFLWHOO-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2001494761	NDHSCJIJACROGF-RRFJBIMHSA-N	236.399	4.598	0	10	BJAE	
CCNC[C@@]1(C[C@H](C)CC)CCCC(C)(C)C1	2002989786	CDMHORFUQPBXOO-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCC1CCCC1	2004229247	RUZLBXPTYWDIRD-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
C[C@H](C[C@H](O)C1(C)CCCCCC1)C1CCC1	2004924033	XHCAWQHJFLZITP-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](NCCC)[C@H]1CCCCC12CC2	2005593176	ZLXYICRSJLLNAT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)C1(C)CCC(C)CC1	2007695982	LCAOLHQBISMSIR-UIDBIOKJSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](O)CC1CC(C(C)C)C1	2007757462	VGJHUOAFCKLGSJ-AVVWSFFYSA-N	240.431	4.636	0	10	BJAE	
CCCCCCC(=O)CC1CC(C2CCC2)C1	2007764941	AZHBNQUSWVFAFU-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H]([C@@H]2C=CCCCCC2)CC1	2009410658	KVBWMXRWTNUOTI-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
C/C=C/CCCC(=O)[C@]1(C)CC[C@H](C)C1(C)C	2009573781	BTUDWPVCVMOPAT-UIQPQZRXSA-N	236.399	4.764	0	10	BJAE	
CC=CCCC[C@](C)(O)[C@H]1CCCC(C)(C)C1	2009595028	UYSUDWYSFUNNDE-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCCCCC1CC(N[C@H](C)CCCCC)C1	2009715301	CJJXGIYDWILGSI-QQFBHYJXSA-N	239.447	4.904	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)C1=CCC(C)(C)CC1	2010713315	DCXWIFNYNBRUOI-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)CC1CCCCC1	2011576115	JTQVPOWMVMNZIR-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC[C@H]1C[C@@H](N)CC2(CCC2)C1	2012052089	ABOBWVONLRIGSZ-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)C2(C)CCCC2)c1	2014338062	MTIXNWARQRNLHF-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2CCC2(C)C)cc1C	2014905215	XSRXSXTXNWQENZ-UKRRQHHQSA-N	231.383	4.540	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C[C@@H](C)C(C)C	2015271739	OEYVIDCMRZAYAQ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC(=O)C1C(C)(C)C1(C)C)C(C)C	2015386761	NJBWOUFTDSDSCL-UHFFFAOYSA-N	238.415	4.556	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCCC1CCCC1	2016149921	OCXAYIUCGIFNHR-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@]1(O)CC1(C(C)(C)C)CCC1	2017113861	FXTDVKGNWNZBBY-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)[C@]1(O)CCC[C@H](C(C)(C)C)CC1	2017485178	QQOZCUXVGAVOMF-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CC[C@H]1CC[C@@](N)(C[C@H]2CC[C@H](CC)CC2)C1	2017732316	ZYVQYKSYCRAXTL-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cccc(C(F)F)c1	2017740212	APDNFKMORWYRTE-SNVBAGLBSA-N	241.325	4.861	0	10	BJAE	
CCC[C@@H](CC)N(C)CC1CC(C(C)(C)C)C1	2018181576	LNGHZTWXYYASLO-YMAMQOFZSA-N	239.447	4.569	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)C(C)(C)C(C)(C)C	2018991142	RYDZTZRKAVLFFB-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNC)[C@H]1C=CCCCC1	2019502370	DPOZTIUUMZGQJL-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CCC(=O)[C@@H]([C@@H]2C=CCCCC2)CC1	2019536602	NKGMZONBWZWYBH-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCCNCCC=C(C)CCCCC(C)(F)F	2023298529	AXSKNTZIBIVVOI-UHFFFAOYSA-N	247.373	4.538	0	10	BJAE	
CCCc1ccc(-c2cc(Cl)c(C)cn2)cc1	2023460548	ZBXDJXBMRAYBMV-UHFFFAOYSA-N	245.753	4.663	0	10	BJAE	
CC=CCCC[C@@H](CC1CC(CC)C1)NCC	2025427141	NBIYWQCJPSFLLW-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)[C@H](N)Cc1ccccc1C(C)C	2027498062	ANPGUXFKUVBVHV-WMLDXEAASA-N	247.426	4.506	0	10	BJAE	
Cc1ccc([C@@H](N)CCC[C@@H]2CC2(C)C)cc1C	2027830924	FGEGFKXDBWDSHE-CVEARBPZSA-N	245.410	4.520	0	10	BJAE	
CNc1ccc(-c2cccc(C(C)(C)C)c2)cc1	2028090403	MECNYWDNYZSNRI-UHFFFAOYSA-N	239.362	4.693	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)C(C)(C)C1CC1	2028105918	UZHPHESWACFFEI-INIZCTEOSA-N	245.410	4.507	0	10	BJAE	
Cc1cccc([C@H](N)[C@H](CC(C)C)C(C)C)c1C	2028255726	SLJYMNZSHJKCTR-SJORKVTESA-N	247.426	4.622	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)c1cccc(C2CC2)c1	2028554126	HBXPLRIYKFNKJQ-IAGOWNOFSA-N	245.410	4.636	0	10	BJAE	
CCN[C@@H](CCC(C)C)c1ccc(C2CC2)cc1	2028592091	ZRFGARUOCWXBRD-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2C[C@H]3CCCC[C@H]32)CC1	2028786399	KIXSXNBWJYSYIC-KDQUWOQTSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CC2CCC=CCC2)C1	2028870019	NOQNMKOZCATOBX-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCCC(=O)c1ccccc1CC(C)C	2028927325	NOMCQGGMUVHDRE-UHFFFAOYSA-N	244.378	4.814	0	10	BJAE	
C1CCCC([C@@H]2CCN2C2CCCCCC2)CC1	2031751436	DHYOZMWCJIMVGK-KRWDZBQOSA-N	249.442	4.754	0	10	BJAE	
CC(C)=C(C)CCNC[C@@]12CCCC[C@H]1CCC2	2031804405	KGSUVUVXJZPUOT-IRXDYDNUSA-N	249.442	4.683	0	10	BJAE	
CC1(C[C@@H]2C[C@H]3CCCC[C@@H]3C2=O)CCCCC1	2034257775	NGMWPSQGUXOLGS-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1coc2ccccc12	2037125638	KUWCDBPSOKEYFI-OAHLLOKOSA-N	245.366	4.649	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@H]2CC3CCC2CC3)C1	2037980215	VXCPKJSPBQPWOA-PESDSKBTSA-N	248.410	4.598	0	10	BJAE	
C=CC=CCCC1(N)CC2(CCC(C)(C)CC2)C1	2038894506	CXBOEOXEMAZCMH-UHFFFAOYSA-N	247.426	4.587	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCC[C@H](C)CC2)cc1C	2039373955	JRKDCZHMMKBPER-SWLSCSKDSA-N	244.378	4.703	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@H](C1CCCCC1)C1CC1	2040315485	FGPBHGSCVSSKSQ-SUMWQHHRSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNC2CC3(CCC3)C2)CC1	2041542734	YPBGTJLLTQYIND-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@@H]1CCCC12CCC2	2043186688	GQRHGLXFUVJZGZ-GDBMZVCRSA-N	247.426	4.578	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)C1[C@H](C)[C@H]1C	2043287113	OVHCDYPRXGCOLB-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)C(C)(C)C1CC1	2045316682	GJNSLRKFEPOVPA-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)C[C@H]1CC1(C)C	2045323670	ODXAMYOMWFVTER-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1=CCCC1)C1(C)CCCCCC1	2045797535	SDFDNVQXBJTLGA-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](C1CC2(CC2)C1)C1(CCC)CCC1	2045813849	UGYPYAOUTYAZMB-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H](C)c1ccccc1	2045979177	NJOHLQNUPBGLOG-WBVHZDCISA-N	247.426	4.726	0	10	BJAE	
CN(CC1(C)CCCCC1)C1CC2(CCCC2)C1	2046325011	PMCGIGBISDKAPP-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCN([C@H]2CCCC[C@H]2C)c2ccccc21	2046578641	FYNIFZURINLBGX-FMKPAKJESA-N	243.394	4.579	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@H]1CC12CCCCC2	2047011515	XVUKRAXWIFSMLS-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC[C@]1(C[C@H]2CC23CCCCC3)CCCCCN1	2047017043	SNLWDAOOYCCBNO-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@H]2CC23CCCCC3)C1	2047051098	BGGLENWFHFEHMO-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@H](NC1[C@H]2CCCCC[C@H]12)C1(C)CCCCC1	2048385540	LGKKETVHWKNNAJ-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC[C@@]1(C)C=CCC1	2049985066	UYHKIDVVMJJFCK-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@]1(C)C=CCCC1	2050000357	NBTHKEUWWDDDNB-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)=CC[C@H]1CC(C)(C)CC[C@H]1CNC1CC1	2051408608	MCTPNXPDHBLNAE-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)[C@@H]1CCCCC12CC2	2053414569	ASWFQRJXXNABOZ-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C)(CN[C@H]2CCCC3(CC3)C2)CC1	2056533669	GGRSGNNUNXVINU-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@H]2C=CCCCC2)CC1	2056557370	SWILCDYZDAUSKJ-VUROTCPHSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)C1(CCC)CCC1	2056882915	OTJPKOSTXPMNAH-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@]3(C(C)C)C[C@H]23)c1	2058564054	ZMEJBXDQLNJIBH-BFYDXBDKSA-N	243.394	4.540	0	10	BJAE	
CC[C@H]1CC[C@@](CCC2(C)CC2)(CNC2CC2)C1	2059179829	FPCQPFCTCUWJRJ-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@](C)(N)c1c(C)cc(C)cc1C	2059194969	BMNJUHNHZJABFX-KRWDZBQOSA-N	245.410	4.532	0	10	BJAE	
CCCN[C@@H](C1=CCC(C)(C)CC1)C1CC(C)C1	2061091172	GYGXNRSPGVYCSB-BCLQGDPASA-N	249.442	4.537	0	10	BJAE	
C1CCCCN(CC2CC(=C3CCC3)C2)CCC1	2061679701	NKKGETSCTMHHJS-UHFFFAOYSA-N	247.426	4.533	0	10	BJAE	
CCCN[C@@H](CC1CC(=C2CC2)C1)C[C@@H](C)CC	2061728155	HBHRDLACYDCPJZ-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)CC2CC3(C2)CC(C)(C)C3)C1	2063211963	VSVNVBTZLSKCGF-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@H]1NCC12CCC(CC1)CC2	2065263330	XFYYFIKSHVKWNM-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCCCCC12CC2)C1(C)CCCC1	2067519164	DFXZJJHUGCVWME-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCCC1([C@@H](O)c2c(C)cc(C)cc2C)CCC1	2069328354	OHTUUQCHCJLDLD-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
C[C@@H]1C[C@H](C[C@]23CCC[C@@H]2C3)c2ccccc2N1	2070871810	YWGAPAOIGPRTAX-WBOJAVRRSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C[C@]23CCC[C@H]2C3)C1	2070927794	WAJJHIMOYNBVKR-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](C[C@H]1CCC=CCCC1)NC	2071509444	BQSMSANXZRWBMV-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](c1ccoc1)C1(C(C)(C)C)CCC1	2071927700	CSTHDPACGKEITG-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC[C@@](C)(NCC2CCC=CCC2)C1	2072601013	JTTGFSDJRGBEJA-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(CN[C@H]2C=CCCCC2)CC1	2072797465	ZLDUKCYCHDHWOV-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC=C(C)[C@@H]2N)CC1	2072806196	JQSSJTGCVIOCPL-BACDZXNISA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H](C)c1ccccc1	2073349076	YDQWQJGMDSXDGN-WBVHZDCISA-N	248.410	4.902	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@@]23CCCC[C@H]2C3)C1	2074027947	DOSRFOZYJWQOBP-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCCCN(CCC2=CCCCC2)C1	2075152430	UCKWHLRUHIXAGF-KRWDZBQOSA-N	249.442	4.779	0	10	BJAE	
CC=C(CC)[C@H](NCC)c1ccccc1CCC	2077194334	INUODGXNZTUEDF-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
C[C@H](CC1CCC1)N[C@H]1C[C@H]1C1CCCCCC1	2079530847	RSZYLBOESWKJTO-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)NCC=C[C@@H]1C[C@H]1C1CCCCCC1	2079664514	GDBOPYNTSBUWLX-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2C[C@@H]2C2CCCC2)CCC1	2079726425	SSRIKBFOWCJZQA-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)C[C@H]1C[C@@H]1C1CCCCC1	2079861735	GAHAGMQEZSGOBI-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C[C@@H](N)c2ccco2)CC(C)(C)C1	2082991026	NBYGALWEAYBJTC-CYBMUJFWSA-N	249.398	4.522	0	10	BJAE	
CCN[C@@H](CC)CCC1CC2(C1)CC1(CCC1)C2	2083615068	HLSOKPCBOCFWIH-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)[C@H](CCCCCCC1CC1)NC	2213574405	SWLWQVBYSJJFIB-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@H](C)C(C)(C)C	2214578880	KAJDMVCSGGVNSB-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)c1cc(C)sc1C	2215459883	XJLNNTUPLYPAOU-HZMBPMFUSA-N	248.391	4.540	0	10	BJAE	
CCC[C@H](C)[C@]1(CN[C@@H](C)CC)CCC[C@H]1C	2217125958	RZIJNBSTIUFTBN-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](N[C@H]2CCCC23CCC3)C1	2218035329	OVPAVOVXSFVCJG-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CC1(CCC(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218386876	YVPCGJAETWJKRC-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)C[C@@H]2CCCC[C@H]21	2218729317	YUIGIBKJGWDONM-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)CC=Cc1ccccc1	2219088797	UXUCYMLWKQVGSS-HOTGVXAUSA-N	245.410	4.504	0	10	BJAE	
C[C@H]1CC[C@@H]1CC(=O)c1ccc(C(C)(C)C)cc1	2220644678	VKHJWUCFLQJGQY-GXTWGEPZSA-N	244.378	4.603	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)[C@@H](CC(C)C)C(C)C	2222013787	LJKQANMOTMSAMX-RDJZCZTQSA-N	248.410	4.655	0	10	BJAE	
CC1(CC(=O)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	2222908960	FAPGIEJIPRLDGY-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@](O)(CC)CC1=CCCCC1	2243203314	OFHDEYLXUSIBPX-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
Fc1cccc(Cl)c1CCC1=CCCCC1	2243245405	MRGRXTZXLJVONQ-UHFFFAOYSA-N	238.733	4.912	0	10	BJAE	
CN[C@H](C)CCCC[C@@H](C)CCCC(C)C	2244845452	PHWWAEUGZYIWEI-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC(C)=C(C)CCc1ccc2ncsc2c1	2246132905	FUHZSBGHWNPIQJ-UHFFFAOYSA-N	231.364	4.585	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC1(C)CC(C)C1	2246525173	XAAOIMGRYNUDMH-WJEHIRDRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC)CC[C@H]1CCCCC12CC2	2246627368	QKOBYIPEQDVIBN-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](O)CCC[C@H]1CCCCC12CC2	2246627807	UBZNEIHUKBAGEG-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)[C@@H](N)CC[C@H]1CCCCC12CC2	2246630195	MHBSQENKIXTION-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC1([C@@H](N)CC[C@H]2CCC[C@H](C)C2)CCC1	2246660177	NXUBABCGSUUBMC-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC[C@H]1CCC[C@@H](C)C1	2246725499	IFKWBWKUDJZRQP-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](C)(CN)CC1CC2(CCCC2)C1	2246767534	OMGRNKHHRFBZHC-OAHLLOKOSA-N	237.431	4.502	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)C[C@H]1CCC1(C)C	2247304221	SJNRKZQCEUGMFS-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC[C@@H]1CCCC12CC2	2247610994	QNRQXXKDFSACLV-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCC(=O)CCCCC[C@H]1C[C@@H]1C	2248879663	NYFATMRRGZZXFF-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H]1CC[C@H](C)C1)NCC	2250355625	MAEGEXKAHFIWEW-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C=C(CNC)C1CCCCC1)CC	2250371356	DVEMMECCUHZCRI-CQSZACIVSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H]1NCC[C@H]1CC[C@@H](C)CCCC(C)C	2250468894	IWRZHCCSTVOUBB-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC[C@@H](C)CCCC(C)C)C(C)(C)F	2250480071	BKURVDZWPVCALJ-UONOGXRCSA-N	245.426	4.565	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@@]12CCCC[C@H]1CC2	2251213164	WICUGDJYSXBLQC-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@@H](N)C1CC(CC(C)(C)C)C1	2251532562	YMVDHXOJNURTOV-YMAMQOFZSA-N	237.431	4.523	0	10	BJAE	
CCCCCC[C@@]1(O)CC(C)(C)CCC1(C)C	2251678365	LSVSWRWIOVXAKC-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccc2ccsc2c1	2253063742	XPLRPBISLFSQHU-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
C1=C[C@@H](Cc2ccc3ncsc3c2)CCCC1	2253126532	JOFIPWNNHVLYRG-GFCCVEGCSA-N	243.375	4.585	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)CC[C@H]1CCCCC12CC2	2253792195	KCUYCGYUAWAJJE-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC1CCC([C@H](N)CC2CC3(CCCC3)C2)CC1	2254110850	FXYHYCREYYUXDH-AVVWSFFYSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CCCCC[C@H]1C	2256143873	HSIHJTJQBSEBES-DOMZBBRYSA-N	249.373	4.769	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(OCC)cc1C	2259465427	VXHXIMMLFAJELN-AWEZNQCLSA-N	249.398	4.632	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CC2(CCNC2)C1	2259615263	QITIGZJBUPQYLB-LDCVWXEPSA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC(C=C2CCCCNCC2)CC1	2259666199	UYPGVYRMIYOQLX-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
O=C(CC[C@@]12CCC[C@H]1CC2)CC1CCCCC1	2260574578	NPXWZHSIFQGAFZ-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
C[C@H](C[C@@]12CCCC[C@H]1CC2)c1cccc(N)c1	2260651168	JKFTXSPEXYKQHL-KMFMINBZSA-N	243.394	4.733	0	10	BJAE	
C=CC=CCC[C@@H](NC)C1CC(CC(C)(C)C)C1	2261200525	FESYUVSMNAEJND-UYSNPLJNSA-N	249.442	4.559	0	10	BJAE	
CC[C@H](C)N(CC)CC=C(C)CCCC(C)C	2300885573	JGXCXVIYJJOCKX-INIZCTEOSA-N	239.447	4.879	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(N)CC1CCCCCC1	2301144268	BWNSNLSNLRBQEW-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@]1(CN)CC1CCCCCC1	2301144321	CJASGQJAPXXYBT-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N[C@H](C)CC1CCCCC1	2301714453	OHOCLXOCEQMIFW-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(O)C[C@@H]1CCCC(C)(C)C1	2301922212	WUCOMWBHYGJQOM-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCc1ccc(C(F)(F)F)c(F)c1	2302229193	QUGROSFBBDBXGQ-UHFFFAOYSA-N	248.263	4.823	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1CCC(CC)CC1	2307893952	KCPKTKLMXXZHRK-GRAKBVBRSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)C1[C@@H](C)[C@@H]1C	2310133682	ABJGVTIAZAJKEG-ZQIUZPCESA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@H](N[C@@H]2C[C@H]2C2CCC2)CC1	2311509714	ICBLIDPWEFRKHB-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
NC1(C(CC2CC2)CC2CC2)CCCCCCC1	2313686645	OFVGCMHYZGYNKY-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CC[C@H](CNC)c1ccc(C)cc1	2316240038	LKYFCIRPRPARDK-QGZVFWFLSA-N	247.426	4.514	0	10	BJAE	
CC(C)NCC1(CC2CCCCCC2)CC=CC1	2317016375	QFGKXKZUCUDDCJ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCCC2=CCCCC2)C1	2318594070	BHSRGWBGUXHGKV-NVXWUHKLSA-N	249.442	4.955	0	10	BJAE	
CC1([C@H](N)CC[C@@H]2CC[C@@H]2C2CC2)CCCCC1	2319691076	XGGNLYURFSWQAB-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@@H]2CC[C@H]2C2CC2)C1=O	2319732813	DQZASUTVRSGACR-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@H]2CC[C@H]2C2CC2)C1=O	2319732816	DQZASUTVRSGACR-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@@H]2CC[C@H]2C(C)(C)C)C1	2320252828	JLMIRCCIVCXFAM-JYYAWHABSA-N	249.442	4.523	0	10	BJAE	
CCNCC1(C[C@H]2CCC(C)=C(C)C2)CC(C)C1	2320335826	DHFFKLLTEYJPBQ-PWZRNIHTSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](CCNC[C@@]2(C)C=CCCC2)C1	2321540418	AKSKQWVXIUNZFR-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cc(C)ccc1C(C)C	2327676518	YEHXBHBRLXKWER-WMLDXEAASA-N	247.426	4.945	0	10	BJAE	
Cc1cccc(N[C@@H](C)c2ccc(C)cc2C)c1	21811946	IGHDNSAHZKIXKK-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCc1ccc2oc3ccc(CC)cc3c2c1	34589289	HHLBVVCRWKQPCO-UHFFFAOYSA-N	224.303	4.711	0	10	BJAE	
CCCN[C@H](c1ccc(C)c(C)c1)C(CC)CC	35572918	WDKKDUDLEOJEOO-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCCC(=O)c1cc(C)c(-c2ccccc2)s1	42732187	FOEGYFDRMRKHJZ-UHFFFAOYSA-N	244.359	4.706	0	10	BJAE	
CCc1cccc(N[C@H]2CCC[C@@H](CC)C2)c1	71105952	IRHZKTKGRXJNEM-ZBFHGGJFSA-N	231.383	4.630	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@@H](CC)C1)C1CCCCC1	80460628	LSOYOSFEBUQBLH-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C3CC3)C2)c(F)c1	81626650	KKHJPZHOOFCRKB-ZIAGYGMSSA-N	247.357	4.515	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CCCC1(C)C	86855674	OJRHTVOXHADRSB-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCCC1(C)C	86856709	ZGLFOZZIZIOLBF-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(c2cccc(C)c2)CC1	86939521	RPNQHRHFMCDZHZ-DOTOQJQBSA-N	245.410	4.529	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CCC)CC(C)C	87522282	NBVTWBACWIIPDB-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1CCCCCC1	87946980	ABYNSDLKLOLNLR-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](C)[C@H](O)c1ccc(C(C)(C)CC)cc1	90484925	NUJCEDQZZHKKKJ-BBRMVZONSA-N	248.410	4.844	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCCCC1(C)C	94274204	BHFRFLHPEFHILV-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
CC/C=C\C[C@H](CC)c1cc(F)ccc1F	107606812	NTJUWARPGGBNRM-GZTOBOFZSA-N	224.294	4.815	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)c1ccc(C)cc1C	109944654	RVVOWZGXRVGLFB-LSDHHAIUSA-N	233.399	4.533	0	10	BJAE	
CC(C)(C)CCn1ccc2ccc(Cl)cc21	128871039	CLOLWNYJJWKXIC-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
CC(C)CCCn1ccc2ccc(Cl)cc21	128893362	HHBKDYKJIYRZIN-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
CCCC(CCC)[C@H](NC)c1ccc(C)s1	132913304	HPPAARZAIVHPIR-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CCc1cccc([C@@H](N)C2CCCCCCC2)c1	168234868	HOLSVYNCJNJJIX-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCCC[C@H](CC)COC1=CCCCC1	207478515	ZHLDOASEHUQNEQ-ZDUSSCGKSA-N	210.361	4.677	0	10	BJAE	
CCCN[C@H]([C@H]1CCCCC1(C)C)C(C)(C)C	226832645	QKRRWHLADHYDCI-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)(C)C)c1cc(C)cc(C)c1	229495804	ZMZVYKQECNINKJ-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C2=CCCCCCC2)C1	233917170	CJGQRMPGOGLWJG-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
Cc1c(Cl)cc(Cl)cc1OC1CCCC1	238464832	IJXGOZNCJVSJQG-UHFFFAOYSA-N	245.149	4.623	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2C[C@H]2CCC)CC1	300577765	FNVASRUUVPNYMY-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C[C@@H](C)CC(C)C	302438977	WFHYHLOUOHEGPK-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C(C1CC1)C1CC1	304633265	ZNWROIWRFGTZLU-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](C)(CCC1CCCC1)CNC(C)C	305997771	UQTGXGOXZJCMID-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
Clc1cc2c(Cl)c(Cl)ccc2s1	306939964	OPXRDGLOVBBEPM-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
CSc1c(C)sc2cccc(Cl)c12	306944090	JIMRDARXNHWQCO-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Fc1cc2c(C(F)F)ccc(Cl)c2s1	307447953	KGLLOGWWHOMZBR-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)CCCC(C)(C)C	308066073	MVXCWUNWEYRPCG-ZIAGYGMSSA-N	227.436	4.602	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](N)C1=CCCCCCC1	310217188	FZTQPSKAUWNWCW-INIZCTEOSA-N	237.431	4.523	0	10	BJAE	
CCCNCC1(C[C@@H](C)CC)CCCCCC1	317178278	MMKSYFJDQPALGO-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CNC[C@]1(CCCCCC(C)C)CC[C@@H](C)C1	317991033	MZWJLUYIGBHLRS-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1ccc(CC(C)C)cc1	319413794	VLBZQYVSLMQNPD-GRDNDAEWSA-N	248.410	4.601	0	10	BJAE	
CC[C@H](C)[C@@H](C)Oc1ccc(C(C)C)cc1	319638121	QAVHAGJQOMHMJK-QWHCGFSZSA-N	220.356	4.623	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)c1cccc2ccsc12	320170147	YVORTPXSRNAAGU-COPLHBTASA-N	247.407	4.583	0	10	BJAE	
CCCCc1ccc(N[C@H](CC)[C@@H]2C[C@H]2C)cc1	322223797	XUSRVJBQBJIFTA-KBRIMQKVSA-N	245.410	4.876	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCCC12CCCC2	328134001	XKVIHMUIGURKPN-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
C[C@@H](C[C@@H](O)CC1(C)CCCC1)c1ccccc1	381167005	AHCMLWKUOMELTC-GOEBONIOSA-N	246.394	4.512	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC(C)(C)CC[C@@H]1N	383170869	KYOXCQUCAQEEMF-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCCC1(N)CCC(C)(C)CC1	383247343	WAENNOWDVZMRIK-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CCC1(C[C@@H]2CCNc3ccccc32)CCC1	383891321	LYVAPNZHKVCXLX-ZDUSSCGKSA-N	229.367	4.556	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@@H](C)c1ccccc1	384530682	DZAGUHCDYINQBI-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H](C)CC(C)(C)C	384655148	VBAOTCUUVCIDHW-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H]1CCCC[C@@H]1C	384689982	WRCKPBUAELMRMY-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)CC1(C)CCCC1	386123545	MWKUJQGXTVEXNW-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
O=C(CC1CCCC1)c1ccc2sccc2c1	386484242	XITWZPWWVUZRSY-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H]1C[C@H]1CC(C)C	388246688	SEOKCZDFXIBQMJ-BZUAXINKSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@H](O)CCC1CCCC1)c1ccccc1	394161444	YLSBMDDFRHSWMM-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
CC[C@@H]1CCC[C@@H](/C=C(\CN)C2CCCCC2)C1	394503030	CRPVFNYFIMXBLO-DYNPQAPLSA-N	249.442	4.668	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C1CC1)C(C)(C)C	395142572	ZMMSANNEODGGFQ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCc1c(C(F)(F)F)sc2ccc(C)cc12	396312986	YVKULXOSMAIPKY-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
C[C@@H](Nc1cccc2ccsc12)[C@H]1CC1(C)C	397861395	YGMHIZWJCRRKPM-ZYHUDNBSSA-N	245.391	4.748	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H](C)C(C)(C)C	399151961	GJEUEXSEUCKNKJ-KBPBESRZSA-N	227.436	4.602	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1	403823816	LNJLXFPMIKEGKN-BMFZPTHFSA-N	243.394	4.658	0	10	BJAE	
CC[C@H]1CC[C@](CCCC2CC2)(CNC2CC2)C1	405984737	BSBKDUAGPVCPHO-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@@H](O)c2ccccc2C(C)C)CCC1	686928455	YSDRGCWBWMLQFS-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCCC1(CNc2ccc(C(C)(C)C)cc2)CC1	687550848	JZBYMCZTKKJUNE-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CCCC2CCC2)C1	688800820	HUSBRIFPGRYOMA-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
CCCCCNc1cccc(C(F)(F)F)c1C	689655094	OFTZBEIWJFXTTC-UHFFFAOYSA-N	245.288	4.616	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H]1CC2CCC1CC2	691675887	PHTKLWFYQRYNMW-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@H](C)NC1CCC(C(C)C)CC1	695100026	RCTZCJYRWBCHCQ-NFOMZHRRSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1CCCC2(CC2)C1	695761972	VNJSTEHJGQFCHH-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCCCCC1(O)CCC(C2CCC2)CC1	696067936	HZCXLFNJNARQGD-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC1(CCN[C@@H]2CCCC[C@@H]2C2CC2)CCCC1	696110945	OSIKCMDLUQPEMW-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	699051454	MGUVHOCJJWTVSF-IXYNUQLISA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@]1(N)CCCCC[C@@H]1C(C)C	704452980	DGBJBEIFJCFQPA-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCC[C@@]1(O)CC[C@@H](C)c2ccccc21	704898474	WZFRHCFQKLAARQ-RHSMWYFYSA-N	244.378	4.518	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@@]1(C)CC1(C)C	705301122	PETTWVRULKAVJU-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@H]1CCCC12CC2	706310191	KEYXCLJIXKKBGZ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCC12CCCCC2	707493701	ZBAUDCPVMNXKDN-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC1(C(=O)C[C@@H](C)CC(C)(C)C)CCCC1	709099038	ASTDCYLXQKUVHK-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CN[C@@H](CC[C@@H](C)CC(C)(C)C)C1CCCC1	709109550	WUHHPTXYQSRFBW-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C12CCC(CC1)C2	711190587	YOPHMXCKJUYOIY-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1Nc2ccccc2C[C@@H]1C	713142696	WCCJPJQWJMRJKZ-XJKSGUPXSA-N	245.410	4.732	0	10	BJAE	
CC(C)NC[C@H]1CCCCC[C@H]1CC(C)(C)C	713169962	SWMOCEQWLLDXQA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)C1(C)CCCCC1	713708251	FEFRPJYHEFZMBC-MWWKQMNYSA-N	249.442	4.847	0	10	BJAE	
N[C@H](CCCC1CC1)[C@@H]1CCC[C@H]2CCCC[C@H]21	714407766	BXIPJUHACPRGCJ-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CCC[C@]1(CC[C@H]2C[C@H]2C2CC2)CCCCCN1	714900660	OJOAUJDSVURIKD-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCNC/C(=C\[C@]1(C)CC1(C)C)C1CCCCC1	717127850	MMECTFOXGCMWSM-GSPCDJLXSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CCC(C)(C)CC2=O)C1	717529568	CHPPGJBSYZDCIJ-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCCC(C)(F)F)CCC(C)C	718572711	FUBFHRCBDTVJCF-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@@H](C)C(C)(C)C	718603758	SIQKSHUVIQGUNT-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@@H](CC)CNCCC(C)=C(C)C	718605054	LMMFADAGUOBSEC-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CC(C)=C(C)CCc1ccc2c(c1)CCCC2	718649116	TYEBJBFEMBIFJX-UHFFFAOYSA-N	228.379	4.854	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)C[C@@H](C)c1ccccc1	718694226	SLFCXZRWVNXIOY-NVXWUHKLSA-N	246.394	4.678	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccc(Cl)cc1	719180045	CDRVSDZHFWYFBZ-UHFFFAOYSA-N	236.742	4.659	0	10	BJAE	
Cc1ccc(NCCCCC2CC2)c(Cl)c1	720118822	ZMFWRGSWSRBJHS-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCC[C@H](CC)N[C@H](CC)CC1CCCCC1	720941787	XHHPHMIMCBGPCW-JKSUJKDBSA-N	239.447	4.904	0	10	BJAE	
C[C@@H]1CNC2(CCCCC2)[C@H]1CC1CCCCC1	721027342	GAXAMVOGWOHACS-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@H]2CC[C@@H]1C[C@H]2CSC1CCCCC1	1307267165	YQTBWYYIYCJYGL-RDBSUJKOSA-N	236.424	4.655	0	10	BJAE	
CCN(CCC1=CCCCC1)c1ccccc1C	1459742685	PGTNTVZWHNWXCI-UHFFFAOYSA-N	243.394	4.712	0	10	BJAE	
Cc1ccc(S[C@@H](C)c2ccc(F)cc2)cc1	1656088676	CAXLVBNOXJVHGL-LBPRGKRZSA-N	246.350	4.987	0	10	BJAE	
c1ccc2c(c1)CC(SCCCC1CCC1)=N2	1656284954	MILWDUIPTDOZTI-UHFFFAOYSA-N	245.391	4.586	0	10	BJAE	
CCCCCCNC1CCC(CC)(CC)CC1	1660763908	KRIAUNMPFKLTHX-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCC[C@H](C)CCNC[C@@H]1CCCC(C)(C)C1	1663165267	OQGMVHIOZKKJDZ-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)Cc1c(Cl)cc(F)cc1Cl	1889573220	SQQWNMCXGIUTSO-UHFFFAOYSA-N	235.129	4.721	0	10	BJAE	
CCC(CC)CCOc1ccc(C)cc1Cl	1900691887	XIIDKQPGOMHFME-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
CCC(C)=CC[C@H]1CCC(C)(C)CCC1=O	1900866365	JHKBULCAQXMEFB-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
Cc1c(Cl)cccc1O[C@@H](C)[C@@H](C)C(C)C	1901621380	ZWQMBNPOCQEQHQ-JQWIXIFHSA-N	240.774	4.708	0	10	BJAE	
CCCCCCc1cc2cc(F)ccc2o1	1901882079	AWVPYKXEJOROON-UHFFFAOYSA-N	220.287	4.695	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1CCCC[C@@H]1N	1902113630	SGTHRKJNIUSYKT-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](C[C@@H]1C[C@H]1CCC)NCCC	1910741528	YMKUUJAUQLVCIZ-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC=CC[C@H](CC)c1ccc(OC)c(Cl)c1	1911988969	YNNUPXCLAKPREO-NSHDSACASA-N	238.758	4.808	0	10	BJAE	
CC1(C)C[C@H]1CCN[C@H]1CCC2(CCCCC2)C1	1915884242	QKNFOSNDIJXUCA-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@]1(CNC(C)(C)C)C=CCC1	1916386945	TUDSKXGLJHCNJC-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CN[C@H]2CCC3(CCCC3)C2)C1	1916423621	LTIVJVRHSIGWTI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)c1cccc(C2CC2)c1	1919973713	IYHCDQSICKUVJH-SUMWQHHRSA-N	246.394	4.598	0	10	BJAE	
CCCCC[C@](C)(CNCC)C1CCCCC1	1924117516	ZDWBJVLDAPSWHD-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)[C@H](C)C1CCCCC1	1924136031	PQYRDZCSDIRGBB-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1NC[C@H]1C=CCCCC1	1925922207	RWTKUZVWMPQURD-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCNc1ccccc1SC	1926130594	ANOWWBOTJVYLBS-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CCC(C)(C)CC=C1CCC(C)(C)C[C@H]1CN	1927163551	ZUCWNODFZSPRIE-AWEZNQCLSA-N	237.431	4.524	0	10	BJAE	
FC1CCC(CC[C@@H]2C=CCCC2)CC1	1932603377	DIBHTFYLJTZEGS-IYXRBSQSSA-N	210.336	4.651	0	10	BJAE	
CCN[C@H](CCC(C)C)CC1(C)CCCCC1	1940411420	WJRONVCAQSATID-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C[C@H](O)CC1(C)CCCCC1)C(C)(C)C	1940411811	YJIBCPWYZZFXQZ-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CCC1CCC(C(C)(C)C)CC1)NC	1941145371	YJCSHTOVKFRYAV-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(=O)c1cccc(C)c1C)C(C)C	1941266071	ZIWUIDLAGJVIQL-CQSZACIVSA-N	232.367	4.558	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)[C@H](CC(C)C)C(C)C	1942661147	VQKMWBRNJMHCLU-ARFHVFGLSA-N	241.463	4.704	0	10	BJAE	
CC(C)C(NCC1CCCCCCC1)C(C)C	1942788236	TZMILIBSALYZRE-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1C[C@@H](C)CC(C)(C)C1	1942799413	NQUAJTSWPQKLML-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNCC)CCCC1(C)C	1944475027	HGHXSQZSCWPEIP-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@H]1C)C(CC)CC	1944820715	NAKKPZJTUMIKGG-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CCCCCC2CC2)C1	1945584524	RXVWDMQIEQTMBX-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCCCC1(F)F	1947304170	JDGKWFFFRZETFQ-QWHCGFSZSA-N	247.373	4.513	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)[C@@H](C)CC(C)C	1948327079	NSAJVOWTFPOQMP-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
C[C@H](CC1(N)CCCCCCCCC1)C1CC1	1949067134	XEWGPUVYBLUVOP-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C(C)(CC)CC)C1(CC)CCC1	1951243349	GOVGGBIUUVSIHK-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(OCC)cc1C	1951308589	JMLMMEZDTNQAJG-CQSZACIVSA-N	232.367	4.854	0	10	BJAE	
CC1(CNCc2ccccc2)CCCCCCC1	1953338534	MAMWBPKLRDLAOP-UHFFFAOYSA-N	245.410	4.527	0	10	BJAE	
CC(C)CC[C@H](C)N1C[C@@H](C)[C@@H]1c1ccccc1	1962913069	LXOBDOQLQMXYTE-HLLBOEOZSA-N	245.410	4.504	0	10	BJAE	
CCC[C@@H](C)CN(C)C[C@H]1CCCC(C)(C)C1	1964614688	LZNSAXLSUIQGSZ-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
Cc1ccc(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1C	1968254938	OUPYDJCEAUNUCS-VIKVFOODSA-N	245.410	4.788	0	10	BJAE	
CCCCC1CC(Nc2cc(C)cc(C)c2)C1	1968308579	XVXZOTYRUJMFLK-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1C[C@@H](C)[C@H]1C	1968602156	GSUWTNJCHAQOJS-XJKCOSOUSA-N	231.383	4.575	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC1CC(C(C)C)C1	1968603278	YOHKMFOYDXIVDG-UHFFFAOYSA-N	245.410	4.965	0	10	BJAE	
CC1(C)CC(N[C@H]2CC23CCCCC3)CC1(C)C	1970867532	UMQKYDMWHDCMHY-AWEZNQCLSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CC[C@H](C)C1	1975746929	FOCKSBPGVHQLFC-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@@](N)(CC)C1CCCCC1	1975999400	WJZRPISJAKJHDS-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C(CC)(CC)CC	1978562512	GTLDKCUULSNPPW-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](C)(CNCCC)C[C@@H](C)CC	1978664982	TWJKFUWLYPFMMH-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@H](C)NC1CCCCCCCC1	1980336737	MRZXDQXOKSDBCG-AWEZNQCLSA-N	225.420	4.658	0	10	BJAE	
CCC1(CC)CCC(N)(CCC(C)C)CC1	1981060432	JFJPKCFBYAOWJT-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC=CCCCC[C@@H](O)c1ccc(Cl)cc1	1984604731	BHHYLFVWYLLLJH-CQSZACIVSA-N	238.758	4.510	0	10	BJAE	
CC=CCCC[C@@H](C[C@@H](C)CC)NCCC	1984615408	CWMFSXKEIKTILF-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCCCCC1CC(O)(CC(C)(C)CC)C1	1984692954	WTPGIOXJNFKBTN-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
FC1(F)CC[C@@H](CC2CC(=C3CCC3)C2)C1	1985530287	FXLZDSHRIUPJDP-JTQLQIEISA-N	226.310	4.702	0	10	BJAE	
CCCCC[C@]1(CC)CCN[C@H]1CCCC	1990094396	VRJWVJOWMQBUSD-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H](C)C1)CC(C)(C)C	1996259193	FMQNSLOVQBHFNU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@](O)(CC)C1CCCCC1	1996561357	MABSVAYCYDHEMP-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCSc1ccccc1NCCC(C)=C(C)C	1996564595	RTZYGWDXGXWSPN-UHFFFAOYSA-N	249.423	4.957	0	10	BJAE	
CCC[C@H](C)CCNC1CC(C)(C)C(C)(C)C1	1997768318	VCBBGXOIWRNPKV-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)C[C@H]1CCC=CCCC1	2000001319	LAIHTWWCHIPDJZ-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)C[C@@H]1CCC=CCCC1	2000001320	LAIHTWWCHIPDJZ-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1CCC=CCCC1	2000002556	YWZVUACSOCJZDM-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CN[C@H](CCCC(C)C)CC1(C)CCCCC1	2000254361	NLNNIWKTYQUWET-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNCC(C)C)CC(C)(C)C	2000519289	WIUMCRIDIAEESK-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCN(C1CCCCC1)[C@H]1CCCC(C)(C)C1	2000899538	BTSOSUABOWCVFF-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](O)C2CCC2)CC1	2003099890	NVMLEOWSVXBWHA-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@]1(C)C=CCC1	2003329910	OIYHSAUDNABDBW-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2004198141	QELUJFHWOVKBGE-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](N)(CCC2(C)CC2)C1	2009551572	ILEMOBHDLNJKHS-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C)CC1)c1cccs1	2010624013	PWKDDDARDAOOHI-WFASDCNBSA-N	249.423	4.535	0	10	BJAE	
C=C=CCC[C@H](NCCC)c1cc(C)sc1C	2010975032	HWHLSQLHGIZUPF-HNNXBMFYSA-N	249.423	4.527	0	10	BJAE	
CCCC1CCC(N)(CCC[C@H]2C[C@H]2C)CC1	2011575240	BDWYHBFLQDMRDV-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C(C)(C)CC)CC(C)(C)C1	2012041697	NDJFDALQVZJCOF-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CCC(C)C)NC1C[C@@H](C)C[C@H](C)C1	2013263349	GXWZEQJZFBBSGE-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CCCCC(C)(C)N[C@H]1CCC2(CCCC2)C1	2013533485	QHBXYKZHUDWGDV-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CCC1([C@H](N)CC(C(C)C)C(C)C)CCCC1	2015283595	GCWLKONGDDBIIF-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CC[C@](O)(CCC(C(C)C)C(C)C)C1CCC1	2015337523	ZZSDBTJZGYQKTL-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@@](C)(N)CCC1CC1)C(C)C	2015347964	SPFVGJCILIOWLB-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CCC1(C[C@](O)(CCC(C)C)C2CC2)CCC1	2015594049	HDMMSKBICAWRAK-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
C1=C[C@H](CC2CC(c3ccccc3)C2)CCC1	2016782879	BYTFARWSZSLUPS-UQPPLGOBSA-N	226.363	4.927	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CC1(C(C)C)CCC1	2017141353	OLKYUDBGFARRKL-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)C[C@@H](C)C(C)C)CC1	2017662015	HEDZQYBSOQWXKC-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CCC[C@](N)(C[C@H]2CC[C@H](C)CC2)CC1	2017719296	AQGINBUZNXWLSR-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC)[C@@H](C)C[C@H]1CC[C@H](CC)CC1	2017731349	QLQHNBZIIXQCEU-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC[C@H]1CC[C@H](CCC)CC1)NC	2017731819	VZTNGKUUHPTJPX-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2CC[C@@H](C)C2)CC1	2017770072	HJCXHDWKJMUNCN-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CC(=O)C[C@H](C)C2)CC1	2017775541	CXFIJHMLWDIJDO-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@](O)(CC)CCC(C)(C)C1CC1	2018130919	LQBQZXGPTDTFHS-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)C1CCCCC1	2018139585	SWPUMWHOXZWOQL-ZBFHGGJFSA-N	239.447	4.904	0	10	BJAE	
CC1(C)CCC[C@@H](c2nc(C3(C)CC3)cs2)C1	2018310577	RZIDRBGZJRGYNG-LLVKDONJSA-N	249.423	4.878	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)[C@H](C)[C@H]1CCC[C@@H](C)C1	2019384887	KHOTURFRAXUHDP-CWVYHPPDSA-N	239.447	4.568	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CC1(C(C)(C)C)CCC1	2022417975	RXEWYZQSYYPKPX-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC[C@H]1C[C@H]1C(C)C)NCCC	2022496506	SFYGBTHHJUAWNR-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC[C@H]1CCC[C@H](C)C1=O)C(C)C	2024004976	UOFIRKWKCOQDNR-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](CCC[C@@H]1CCCC(C)(C)C1)NC	2024091066	FCYABGUSDUZDNT-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)NC[C@H](C)CC[C@@H]1CCCC(C)(C)C1	2024092308	QAWXQAKZEVDZSF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)C[C@H]1CCCC(C)(C)C1	2024097130	WWXPJSIEFRNGDA-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](O)CCC2(C)CC2)C1	2024121229	CFWGYVUADOWSRF-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@H](C)C1CCC1	2026166003	GNYCQSHRAVUBEN-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)CC2(C)CCCCC2)c1	2027310380	ADSYBWAUYPTAQA-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CC1([C@@H](O)c2ccc(C3CC3)cc2)CCCCC1	2028612290	OXZNPPIYZGXUGA-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
C1CCCC(CCN[C@@H]2C[C@H]3CC[C@H](C3)C2)CC1	2028789760	TWTOTGZTUZLZRV-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](F)c1cccc2c1NCC2	2029834743	AAPXHILFRWOOCR-WFASDCNBSA-N	249.373	4.738	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H](C)CCC(C)C)c(C)c1	2029835073	CTNRBNQHDXWHPY-CYBMUJFWSA-N	246.394	4.867	0	10	BJAE	
CCCCc1ccc([C@@H](O)C(C)(C)C(C)C)cc1	2032270884	DFZGIUAYPQRYHF-MRXNPFEDSA-N	248.410	4.745	0	10	BJAE	
CC1CCC(NC2(C3CCCCC3)CCC2)CC1	2033057950	ZZLWZICUWOYOLU-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@@]1(C2CC(C)C2)CCC=CCCC1	2036174698	BMHVIFLMTBWGJT-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1)C1CC1	2036661393	PKULOZLVTJMJEM-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C1=CCCCCCC1	2037076099	RPAQGKXKNUDDKV-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CCCC1CC1)c1cccc(C2CCC2)c1	2037089919	IAJLMHREEPRACH-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@@H]1CCC2(CC2)C1	2038585114	AKXNQVGRHYILER-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(N[C@H]2C[C@@H]3CCC[C@@H]3C2)cc1C	2038623492	TZDHTVBPINQDSX-SCAQPMJSSA-N	243.394	4.548	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@H](C)C1CCCC1)C2	2038932851	ITXZWOAZHXFIAH-FBZFNHGYSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(F)ccc1NC[C@@H]1CC12CCCCC2	2039050384	HSDDHPVOZBHDPB-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@H]1CCC[C@H](C)CC1	2039370680	RMNPLPIQEUZVKG-DZKIICNBSA-N	249.398	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1cccc(C2(C)CC2)c1	2040719733	RIMRSPYIQLMMPU-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
C1=CC[C@@H](N[C@@H]2CCCC3(CCCCC3)C2)CC1	2040762977	KNMGUURFGLCXRG-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@]2(N)CCC23CCCCC3)C1	2045382770	SVYXZUIMTLPDNI-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@@H]1CC(C)=C[C@H](C)C1	2045695377	JRCPDPVYAKYONZ-RRQGHBQHSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC2(CC2)C1)C1(CC)CC1	2049853724	FSUIYVPLYYQYOC-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1CCC2(CC2)C1	2049937286	CMROYZTWVSZPER-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)[C@@]1(C)C=CCC1	2050008015	RZMSDUSQMYIAIM-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(CC2=CCCC2)CCCCC1(C)C	2053383591	KLFFEVSEVSPZJJ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCCC[C@]1(CNC1CC1)CC1CCC1	2053390536	MJCGYNQIHOOEFK-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC([C@@H](NCC)C2CC=CC2)CC1	2053666881	KDPOAZJBUSQCLP-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](NC2C(C)(C)CCC2(C)C)CCC1	2055554098	FMCANTWSYYQUHL-CQSZACIVSA-N	249.442	4.680	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2CCC3(CC3)C2)CC1	2056536283	NTLFYBZKTBJQBI-NPCAHTBFSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCC(C)CC2)cc1C	2056537018	UBFXLJJEGINHCP-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
C[C@@H](C=C1CC2(CCC(N)CC2)C1)CC(C)(C)C	2056620865	KZBKUVWYCDWOPB-KTAKPFMOSA-N	249.442	4.667	0	10	BJAE	
CC(C)C1CCC([C@@H](N)C=C2CCCCC2)CC1	2056877026	WHEQHNVNSODRDP-JCYILVPMSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2(C3CC3)CCCC2)C1	2057604653	UOODOUXPLXATEF-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CNC[C@@]1(CCC2(C)CC2)CCCCC12CCC2	2059177825	MQZPIIMIKNCYLX-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2059257810	AMIXFCWDWBUWBI-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
CCCCCC1CC(N)(C2[C@@H]3CCCCC[C@@H]23)C1	2059491140	DPZSQKUOXPJSFR-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CC1CC([C@@](C)(N)C2=CC[C@@H](C(C)(C)C)CC2)C1	2061116417	PWOYCBWLPAONIQ-JAUTURMASA-N	249.442	4.523	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1C1=CCC(C)(C)CC1	2061146429	HHUZOFPTMAOZAF-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@@H](NCCC)C1(C)C(C)(C)C1(C)C	2061563706	RMDMGDHTCWGTKH-CQSZACIVSA-N	249.442	4.548	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)(C)C)C1CC(=C2CC2)C1	2061648500	XJTSRLQFTQPETM-WBMJQRKESA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCN[C@H]1CCC2(CCCCC2)C1	2062608145	LTFSTTTZHMRZHZ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@H](C)CC1CCCC1)c1occc1C	2063686416	FXAHLFAOOWVBFH-HIFRSBDPSA-N	249.398	4.598	0	10	BJAE	
CC(C)[C@@H]1CC=C(C2(N)CC(C(C)(C)C)C2)CC1	2067987093	RODXCMXOZZWBHJ-BZOOQXSSSA-N	249.442	4.523	0	10	BJAE	
CCc1ccccc1OCC1(C(C)(C)C)CCC1	2071916600	ATRRKDNOXIHDGG-UHFFFAOYSA-N	246.394	4.844	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@@]2(C)CC=CCC2)CC1	2072790914	KRLZQBXSSQFUHZ-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C2CC(C3CC3)C2)CC1	2072881510	JZTDRZMKWSTZSY-IIBAXKJTSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](N)[C@H]1CCCC2(CC2)C1	2073796494	ZBWSKDRCZYFBQP-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@](C)(N)c2ccc(C(C)C)cc2)CC1	2074623262	GGBDOHOSUFRXRL-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N(C)C1CCC2(CC1)CC2	2074896143	NLLRCBSFUQTZKO-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)CCC2=CCCCC2)CC1	2075145318	FNOSBJGLTPMCSS-WBVHZDCISA-N	249.442	4.778	0	10	BJAE	
CC(C)CCCCCN1CCC[C@H]1c1ccco1	2075153657	IRKTWZUVLUYMRN-HNNXBMFYSA-N	249.398	4.633	0	10	BJAE	
CCCN[C@@H]1[C@@H](CC2CC=CC2)CCCC1(C)C	2076408191	SICGQDNUIBSDEQ-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CC[C@H]3CCC[C@H]32)c1	2077265657	YYJPLUHDIUMQLZ-SRCQZFHVSA-N	241.378	4.555	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H]2C[C@H]2C2CC2)CC1	2079326786	BZCRECIKEVVKOE-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079626523	ISEJKCDQSCCMGG-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H]2CCCNC23CCCC3)C1	2083813898	JBEWBWZJLCTISB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
c1cc(C2CC2)cc([C@H]2CCc3ccccc3N2)c1	2088948482	SBBCJFPKSRIFJZ-GOSISDBHSA-N	249.357	4.663	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC[C@H]1C[C@@H]1C	2211592931	IWNYHKVUDVWQLH-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
Cc1ccn([C@@H]2CCCC3(CCCCC3)C2)c1	2214626443	NHHTTXHEVHFJOC-OAHLLOKOSA-N	231.383	4.862	0	10	BJAE	
CCCN[C@H](C)CCCCCCCCC1CC1	2216876575	FAIUCGFPEIZJHX-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC[C@]1(CN[C@@H](C)CC)CCC[C@@H](C)CC1	2217123888	CEMGIBNBPOJQAY-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@]1(CN[C@H](C)CC)CCCCC1(C)C	2217140971	KYZOSOXIFLICDX-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218336110	RQCAEPZVPPNQAE-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC=Cc1ccccc1	2219086864	GDBBYYXGVXXKSD-CQSZACIVSA-N	244.378	4.731	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)CC=Cc1ccccc1	2219090153	JIFBAKWXRPHLQE-DOTOQJQBSA-N	245.410	4.504	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1ccc2occc2c1	2224139035	HJGQBFWYBGBKER-WBMJQRKESA-N	246.350	4.539	0	10	BJAE	
C(=Cc1ccccc1)C[C@@H]1CCc2ccccc2N1	2226216967	LKTITRFEEFVDMD-QGZVFWFLSA-N	249.357	4.517	0	10	BJAE	
C1=C[C@H](Cc2cc3ccccc3s2)CCC1	2242924614	RLKIMEHTGOJWGW-LBPRGKRZSA-N	228.360	4.800	0	10	BJAE	
CCCCCC[C@H](N)c1csc(C2CC2)c1	2243488241	OIDAJGGRFSABNT-ZDUSSCGKSA-N	237.412	4.596	0	10	BJAE	
CCCCC[C@H](N)CCCCC[C@@H]1C[C@@H]1C	2243903676	VQZLLGCFUOSFRY-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](CC1(C)CC(C)C1)NCC	2246526732	UTZLCYHBGACZDR-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC=C(C)C)CC[C@@H]1CCC[C@@H](C)C1	2246677114	AWQPFLPBCKOHHB-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCCC[C@H]2C[C@@H]2C)C1	2247124246	ZQUNFQLSEVTAHB-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CC(C(=O)CCCC[C@@H]2C[C@H]2C)C1	2247162506	BZVBGFNOBAHELK-NOZYUVCASA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](O)CCC1CCCC1	2247167809	YOUFVFNPFXUTCC-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCC[C@@H]1C[C@H]1C	2247176719	RGKAUZRFICPNDF-FVQBIDKESA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)CN(CC)CCCCC[C@@H]1C[C@H]1C	2248838415	AOWVEZRYEYJIQE-ARFHVFGLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)[C@H](CC[C@H]1C[C@@H]1CC)NCC	2250351661	FMYDUVBDNUMSGM-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1(C)CC(C)(C)C1)NC	2250367195	NZBZQWSGABQQDY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)CNC1CC1	2250492441	VQMWYBITIUUIMF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC1CC(CC[C@H](O)C(C)(C)C)C1	2251584344	CPLLBQNIBWYELA-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@@H](C)C1)c1ccoc1	2253999869	ZPUXWEXWUDRUQW-IJEWVQPXSA-N	249.398	4.537	0	10	BJAE	
CC1=CC[C@](C)(CNCCCC[C@@H]2C[C@H]2C)CC1	2254506282	RFSBFIVGQJTCJL-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C[C@H]1CCC12CCC2	2254579389	NAQURLPZEBVYOL-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C[C@@]1(CNC2CCC2)CCC12CCC2	2254863599	PGJIONLTJNOQGK-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC[C@H]1CCCC12CC2)[C@H]1CC[C@@H](N)CC1	2255238443	XKOWNTJIUFRRPP-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC[C@H]1CCCC12CC2	2255326199	ASYSLTBQAJNIFY-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C(NCC1CC(=C2CC2)C1)C(C)(C)C	2255483708	FPSYYOOFDRZGJR-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCc1cccc(NCCCCC[C@H]2C[C@@H]2C)c1	2257333434	YBISXPMQIREIFD-HOCLYGCPSA-N	245.410	4.877	0	10	BJAE	
CCC[C@H](Nc1cc(C2CC2)ccc1F)C1CC1	2259126285	MLCQRTXIOJWWTO-HNNXBMFYSA-N	247.357	4.694	0	10	BJAE	
NC1(C[C@@]23CCCC[C@@H]2CC3)CCCCCCC1	2260673231	QXVDWTHDADQTKA-CVEARBPZSA-N	249.442	4.789	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(C[C@H]2C=CCCC2)C1	2261375116	KVAQHZAAXUCYIK-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@H](CC[C@@]12CCC[C@@H]1CC2)NCC	2298715410	ZARZRBFFPXLKOQ-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](CC)(CNCC)[C@@H](C)CC1CC1	2298848975	DTLDFBXNBQWUBZ-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CC1)C(C)(C)CCC	2298858174	MNOCRBWFFGCCJL-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]([C@H](C)CC1CCC1)C(C)(CC)CC	2298872164	XUAAOBCHVITCNX-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CN1CCCCCC1(C)C	2298883390	ZKMXPHWQGPTOMV-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)C[C@H]1CC=C(C)CC	2300898545	FSIBOOCVQHLNSC-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C(=O)CC[C@@H]1C[C@H]2CCC[C@H]1CC2	2301146967	FALWBXGWSAJBRA-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CC(=CCCNC(C)C)CC1CCCCCC1	2301237663	ZAPSABQUSANUCC-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(N[C@H](C)[C@@H](C)C(C)C)cc(C)c1C	2301835697	HVVLTFPUVQZNLG-DZGCQCFKSA-N	233.399	4.704	0	10	BJAE	
CCC(CC)C[C@@H](N)CCCC1=CCCCC1	2302351364	HYVIFFHOTMJQCP-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CCCN(CCCC1=CCCCC1)C1CCC1	2302360205	ZSBQOHBMTPVTBU-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(N)CCCCC[C@H]1CC	2303624918	WRYGFSMEHGLNNB-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](N)c1ccccc1C	2307900262	UQTXTJKFVCVKMZ-GOEBONIOSA-N	233.399	4.601	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H]1CC[C@H](C(C)C)C1	2307909862	WAGRZSCJCONXLJ-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312871049	SFLAVUBTWUWBFV-BQJWPVKWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2)C1CCCCC1	2312950092	ZGPPKGASGHJSBP-VDERGJSUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1C[C@H]1C1CCC1	2313034314	QPQFAMGWFSHIHC-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)[C@@]12CCCC[C@@H]1CC2	2313305666	YUVSQAHFUXLVGB-QDEZUTFSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)C[C@@]12CCC[C@@H]1CC2	2313330875	SEGVBSFVMIMILD-ORQFMDKSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@]1(C)CC=C(C)CC1	2316536615	MSDOYFADYHWRBQ-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CC[C@@](N)(C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2316868802	BADBFRYNMJDMNS-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](O)c1ccccc1C1CC1	2317821467	VVCXWGVPENIJRB-GDZNZVCISA-N	246.394	4.526	0	10	BJAE	
CCCCCCc1ccc(C)c(CNC(C)C)c1	2318367124	JTIKVBWRYOTUOM-UHFFFAOYSA-N	247.426	4.616	0	10	BJAE	
COc1cc(C)cc(CCCC2=CCCCC2)c1	2318564698	BJVIPXZXMSALMX-UHFFFAOYSA-N	244.378	4.827	0	10	BJAE	
CCC(C)(C)CC(=O)Cc1ccccc1C1CC1	2318969147	AYQURSRIUNEWRZ-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C[C@@H]2CC[C@H]2C2CC2)CC1	2319499408	COBOEHKMOHIQOD-HPZZRFSDSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CC[C@@H]2C2CC2)C1	2319581612	QWLUJDVFKQJSHZ-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)[C@H]2CCC(C)(C)C2)CC1	2320334384	OQJFSGCLABKDDH-JYJNAYRXSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@@H]1CCC(C)=C(C)C1	2320424086	PZUWZBRPCYXEPV-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCCC(C)(C)C2)c1	2321080258	CPCZMPINXSQQPV-AWEZNQCLSA-N	249.373	4.769	0	10	BJAE	
CC(=CC[C@H]1CCC(C)(C)C1)c1ccc(N)cc1	2321604678	DVHLZLDKZFJMSE-AWEZNQCLSA-N	243.394	4.889	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C2(CC3CC3)CC2)C1	2321639155	IKEFOVMIVUEAIY-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)c1cccc(C)c1	2328283485	XUFDPGYCPUOCIR-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
CCCCCC[C@@H](C)Oc1ccccc1C(C)=O	20516866	RONFDCRWXQKMTP-CYBMUJFWSA-N	248.366	4.627	0	10	BJAE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccccc1	21816379	GQAZPNXXWATWII-IMJJTQAJSA-N	231.383	4.559	0	10	BJAE	
CCCCSc1nc(-c2ccccc2)cs1	40924172	VOPDIGLDSQBNDN-UHFFFAOYSA-N	249.404	4.702	0	10	BJAE	
CCCCCC[C@@H](NCCC)c1cccs1	71085138	BANCQWSOJBZTQK-CYBMUJFWSA-N	239.428	4.759	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CCC)CNCC	71126871	JYQODBJYGYWYQW-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
Cc1cccc(Cl)c1-c1ccc(F)cc1F	78212563	FSWYEHNRUQGNIR-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CCCCC[C@H](C)Nc1ccsc1Cl	79638965	OTWQXMKFMYWGDA-VIFPVBQESA-N	231.792	4.782	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC[C@H](CC)C1	80445170	DJGZROQJJZONOJ-ZFWWWQNUSA-N	231.383	4.630	0	10	BJAE	
Cc1cccc(C(C)C)c1NCc1ccccc1	83367357	VOBOYLGOQYXAPD-UHFFFAOYSA-N	239.362	4.731	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCC1(C)C	86856708	ZGLFOZZIZIOLBF-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@H](C)CC1	86887190	REWLWCQTOIQHHV-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(C2CCC(C)CC2)CC1	86918882	GCXMAPVLROQPSS-GRAKBVBRSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1(O)CCC(c2ccccc2)CC1	87163724	HCMRGJHIRKGAPV-UHFFFAOYSA-N	246.394	4.656	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCCC[C@@H]1C(C)(C)C	87164293	DZUICHXAAPARDJ-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC([C@@H](N)C2CCCCC2)CC1	87963052	FROWVYZSLYATHC-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)(C)CC)cc1)C(C)C	90483558	ICYOOSXCJYWMKG-MRXNPFEDSA-N	247.426	4.681	0	10	BJAE	
CCC1([C@H](N)c2c(C)cc(C)cc2C)CCCC1	94899608	UASWRGFHIKJGRB-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
CCCC[C@H](CC)CC1(CNCC(C)C)CC1	97148172	XBEYIZIVJQWCJG-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)CC1CCCCC1	104012616	VTLNYTMCCPPOHB-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](CCC)CC[C@@H]1NC	109664071	NWHWSOXQMHERKO-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C[C@@H](C)C(C)(C)C)c(C)c1	111646994	WMVPBAFDCCPBTO-CABCVRRESA-N	247.426	4.684	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCC(C)(C)C2)CC1	131341052	FDCGMNXSILFEDT-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC(C)(CCNC(C)(C)C)CC1CCCCC1	133977198	KGMLSFJJSSAOHY-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)CC(C)(C)C	148340190	FVNSREODQISEKF-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CN[C@@H](CCC1CCCC1)CC1CCCCC1	161031444	UOMDBVYGUNZXCS-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@](C)(O)C/C=C/c1ccccc1	212850010	RDOUDSHXZAFDLE-JIIJFUIFSA-N	246.394	4.811	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)c1ccccc1	225972974	SSNVHRCZIUWHEI-ZBFHGGJFSA-N	233.399	4.696	0	10	BJAE	
CCCCc1ccc([C@H](C)NCC=C(C)C)cc1	228845360	VJUUGWQTYQDRKV-HNNXBMFYSA-N	245.410	4.646	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CCCc1ccccc1	229332135	HOLSDZAZOWHFCG-IAGOWNOFSA-N	248.410	4.587	0	10	BJAE	
c1ccc(-c2csc3ccsc23)cc1	230484210	NUMJORFGVQWINX-UHFFFAOYSA-N	216.330	4.630	0	10	BJAE	
C[C@H]1C[C@H](c2cccc3c2CCCN3)CC[C@H]1C	235387391	NXOWODOAWCCFJV-HZSPNIEDSA-N	243.394	4.584	0	10	BJAE	
C[C@H]1CC(c2ccc3c(c2)CCCN3)C[C@H](C)C1	235693271	SNJRALVQDJNBBG-CHWSQXEVSA-N	243.394	4.584	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@H](C)CNCCC	251337662	MAAOUPPFQHSSQA-XHSDSOJGSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	252168891	QWFUAWKFWUBTJK-XUWVNRHRSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](N[C@@H]1C[C@H]1CCC)c1ccccc1	300593751	ZJACKNJSUBFQKR-IXDOHACOSA-N	245.410	4.696	0	10	BJAE	
Cc1cccc([C@H](N)CCCC(C)(C)C)c1C	302280556	JCPWTWPIZMXKGN-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CCCCCC(C)(C)CNC[C@H](C)CC(C)C	302393668	QWJWZLOWSBAISI-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CCCCc1ccc(NCCCCCF)cc1	302521203	PCAVKVLRKNVXMC-UHFFFAOYSA-N	237.362	4.581	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C(C(C)C)C(C)C	304330361	DGBAPRJGVZQLDW-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CCc1cccc2ccn(CCC3CCCC3)c12	305943313	LUDIEGSWJRZHBJ-UHFFFAOYSA-N	241.378	4.784	0	10	BJAE	
CCc1cc(Cl)c2sc(CC)cc2c1	307055894	UWCCEEBKGWKKCY-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1ccsc1Cl	308360088	ULKHAZTVLILMDU-ONGXEEELSA-N	246.803	4.507	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C[C@@H](C)CC(C)C	309995378	SHWNDBGPMSNVCC-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CCCC(C)(C)C2)C1	310405307	LNNPPTHOPCGEIV-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1ccc(Cl)cc1C	320228466	UTXLDKRLHPKFHB-GXSJLCMTSA-N	238.758	4.513	0	10	BJAE	
CCC[C@@H](C)[C@H](CC1CCC(C)(C)CC1)NC	380077281	RKZIIFJCZHIPJH-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(C(=O)CC2CCC(C)CC2)c1	380923929	DTLPEKNVSRMGSV-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC(C)CCCCCn1ccc2cc(F)ccc21	383111219	HWDZUWUWOQNXSD-UHFFFAOYSA-N	247.357	4.997	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1C=CCCCCC1	383124348	LJNJORBGOJVPGV-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCCCCC[C@H](N)C(C)(C)C	383140721	FJTOIUDCGDJAQG-AWEZNQCLSA-N	227.436	4.747	0	10	BJAE	
C[C@@H](CNc1cccc2ccsc12)C(C)(C)C	386246959	QIFWRENGDSVAHV-NSHDSACASA-N	247.407	4.995	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](O)c2ccccc2C(C)C)C1	386289044	GPUWTXITLCZVQJ-JKIFEVAISA-N	246.394	4.670	0	10	BJAE	
CC[C@H](Nc1cccc(SC)c1)C1CCCC1	387493726	ZVCRXHQIYKFFII-HNNXBMFYSA-N	249.423	4.789	0	10	BJAE	
CC(C)(C)[C@@H](NCCCC1CC1)c1ccccc1	394443637	LVWNUVGARWGOBT-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCc1ccc(NCC2(C)CCCCC2)cc1C	394560538	LWJDGMHJHOENGV-UHFFFAOYSA-N	245.410	4.940	0	10	BJAE	
CC(C)CCCCCC1(CN)CCC(C)CC1	394851151	FTVBEIOGAMWVBO-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
COc1cc(Cl)c2sc(C(F)F)cc2c1	396292637	PFAGPWWNCAGKDF-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](CC2(C)CC2)NC)cc1	401533727	XBLNFVBHBCSYCT-BBRMVZONSA-N	245.410	4.651	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CCCCNC(C)(C)C	401615911	NLXHVKGREQJRGB-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1CCCCCCC1	688962461	BPKIRBPZFVSHMO-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCc1cc(C)cc(CC)c1NCCC(C)C	690185870	DHSKAHYWKYBCFN-UHFFFAOYSA-N	233.399	4.578	0	10	BJAE	
CC1CCC(C[C@]2(O)CCCCC[C@H]2C)CC1	691186391	MLOMGUOWHCPEAD-GYTBAZASSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(OC(C)(C)C)c(C(C)C)c1	694950455	ISNGWSFGZXWCKZ-UHFFFAOYSA-N	220.356	4.550	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)c1cc(C)ccc1C	696596157	YACLKRVXJZLXNC-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cccc(C)c1C	696674091	UIVHGKRZONCDNP-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCc2ccccc2N1	696782811	QNIWNSXOKMHWPY-AWEZNQCLSA-N	231.383	4.630	0	10	BJAE	
CCNC[C@@H](CC(CC)CC)C1CCCCC1	696857551	SWVRTJBQZVDEMX-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCC[C@]1(O)CCCCC[C@@H]1C(C)C	697630381	QJKOXZVASJUKIU-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC(C)=CCCC(=O)c1cccc(C)c1Cl	697830222	WROSDEUKTCTONC-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CNCC1(CCC=C(C)C)CCC(C)(C)CC1	698022293	GCVMGRMRAUYJGS-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)=CCCc1ccc(C)c(Cl)c1	698085702	SFOYAMMBXKROTK-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)c1coc2ccccc12	704567216	IBPGXCNGIXRXOI-ABAIWWIYSA-N	246.350	4.539	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2C[C@H]3C[C@H]3C2)CC1	704658722	ICNFXEYBRFEEQG-JSGMBBGDSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@H](C)C1CCCCC1	704936322	CXXYHSMCRPBOGX-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CC)CNCC[C@@H]1CC=CCC1	706859839	AWMDGBLJURRZMC-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1NC[C@@H]1CC=CCC1	709134029	LCLUQIITZVWICD-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CN[C@H](C)[C@]23CCCC[C@H]2C3)CCC1	709246605	NKBKXOQZEOFXOY-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
Cc1c(Cl)cccc1OC[C@@H](C)C(C)(C)C	711120998	KXTLGFNSDSGDMF-SNVBAGLBSA-N	240.774	4.709	0	10	BJAE	
CC[C@H](C[C@H](NC)C(C)(CC)CC)C(C)(C)C	711213663	OQFYFZMGYRDIKB-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC(C)(C)C(C)C)NC	713226587	FJPAKMVQDHTWOE-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CNC[C@@H]1CCCCC[C@H]1CCC(C)=C(C)C	718494430	MOENGFXGNGTIJW-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](NCCC(C)=C(C)C)c1cccs1	718624609	TVCHUEOKIBPSOC-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
CC(C)CCC[C@@]1(N)CCCCCC1(C)C	719188189	AIWLXSBBUVBYNM-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CSc1ccc(F)cc1	1164453305	DHNVIQDSSRGVAY-NWDGAFQWSA-N	238.371	4.744	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](NCC2CCC=CCC2)C1	1203783503	UNEGAKAAVSJKCU-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
CC(C)Nc1cc(-c2ccccc2)ccc1Cl	1308390128	DVOOJYMQSDMLPE-UHFFFAOYSA-N	245.753	4.827	0	10	BJAE	
CC[C@H](C)CS[C@@H](C)c1ccccc1	1559452909	FISOHSJTHYOSSI-RYUDHWBXSA-N	208.370	4.527	0	10	BJAE	
CCC(C)(C)CCNC1(C2CCCCC2)CC1	1660557517	STXUBOQDDVMAKH-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCCCc1ccc(Cl)c(F)c1	1889470549	UYDQREDDSZIQFW-UHFFFAOYSA-N	214.711	4.602	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CCC1CCCC1	1900580220	LRUBMUHCRPIWMY-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC)CN[C@@H](C)CC	1905379778	BWJDWPWESHAQDW-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1ccc(Cl)cc1	1905385792	CMGVJFAEVOACMK-RISCZKNCSA-N	240.774	4.590	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@@H]2CC[C@@H]21	1907050056	OGZJYVTZNOQNSK-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2CCC[C@H]2C)C1	1908102875	OUFGRBFIEQFHGI-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCC=C[C@H](C)Cc1cc(C)c(C)cc1F	1911791459	NVOFWIKSMOPYDM-NSHDSACASA-N	220.331	4.587	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C2CC3(CCCC3)C2)C1	1912646415	SBQKKVBOFBXMRJ-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CC(C)CNC[C@]1(C2CCCCCC2)C=CCC1	1916380480	OETUQMRFWNBOII-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@](N)(CC)c1ccccc1C(C)C	1920140472	UFMCKUINLRKKHH-INIZCTEOSA-N	233.399	4.564	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](C)C2CCCC2)cc1	1924141821	KSTBAMVCSMDMIW-CYBMUJFWSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)C1(C)CCC1	1925898001	LRGMPFNAYWUYTE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(CC)c([C@H](N)CC(CC)CC)c1	1926390926	VTZZTEZITZBHGL-QGZVFWFLSA-N	247.426	4.638	0	10	BJAE	
CCCN[C@H](CC1(C)CCCCC1)C(C)(C)C	1940407877	JXFSGPFAESXSKQ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(=O)CCCC1(C)CC1)CC(C)(C)C	1940877901	SSIRSSLWIAVFDN-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CCCCCC1CC1	1941586363	YKYFPUIVWRQRGO-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C(C)(C)C1CCCC1	1944636059	WRNHWWJFUNEQTB-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
Cc1cscc1N[C@@H](C)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C	1944701633	JQAPNZLQYXRHTJ-RVMXOQNASA-N	249.423	4.539	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H]3CC[C@@H]3C2)cc(C)c1Cl	1946657697	KUGRZVTUERAPTM-IMRBUKKESA-N	249.785	4.557	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cc(C)cc(F)c1	1947456794	DRRQAWBPBBTYSN-DOMZBBRYSA-N	235.346	4.515	0	10	BJAE	
CCC(C)(CC)[C@]1(N)C[C@@H](C)CCC1=C(C)C	1949087841	IDBJPNKIZXSPKM-BBRMVZONSA-N	237.431	4.667	0	10	BJAE	
C[C@H](CCC1(CO)CCCC1)C1CCCCC1	1950365383	XCACTYQJNQFNNQ-CQSZACIVSA-N	238.415	4.536	0	10	BJAE	
OCC1(CCCC2=CCCCC2)CCCCC1	1950365737	ZDOUQGSSFWYTMY-UHFFFAOYSA-N	236.399	4.600	0	10	BJAE	
CCCCN(CC)CC1CCC(CCC)CC1	1968350806	BJKNCUAPVJAUSV-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCCC(C)(C)CN[C@@H](c1ccccc1)C1CC1	1973168671	FGHLASKZMNKEBG-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1csc(C(F)F)c1	1978582923	PQFYZGQYVBPZDK-MRVPVSSYSA-N	246.322	4.695	0	10	BJAE	
CC(C)c1cnc([C@H]2CCCC(C)(C)C2)s1	1980273490	FGQWNNCPOUGMGY-NSHDSACASA-N	237.412	4.950	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)c1ccsc1	1981290136	PWHRKCVIBJLUTO-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
Cc1cscc1NCCC(C(C)C)C(C)C	1988258342	CKEQJEOCTHAUJZ-UHFFFAOYSA-N	239.428	4.787	0	10	BJAE	
CCCC[C@](C)(O)C[C@@H]1CCCC(C)(C)C1	1994036020	FCERTXKOCMVWBP-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1CC[C@@H](C)C1)NC	1996248041	PTVSOOWPIBUJEP-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@](C)(N)C1CCC(C)CC1	1996593017	FGBUKZWNJXGTCC-GRAKBVBRSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CC[C@@H](C)C2)CC1	1997106732	XFZINMIVCMRBHJ-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2CC(C)C2)CC1	1997116145	JGVBDSQLWIHUFS-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@@]1(C)CC=CCC1	1997584366	SQYHPEYGSYINRX-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)(CCC(=O)[C@]1(C)CC=CCC1)C1CC1	1997601641	KEMYJCWGEAUWTE-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C1CCCCCC1	2000294167	ZWTWRFIDKBYWLT-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CCCC1([C@@H](NCC)[C@@H](C)CC(C)C)CCC1	2000376551	NWYWNNRJUARLJO-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCN(CCCCCC1CC1)[C@@H](C)CC	2000905488	CFGXNSCRXPZBKJ-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@H]1CCCC[C@H]1C	2000906043	GNCYEUKWJZPQKN-ZBFHGGJFSA-N	239.447	4.712	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CC12CCCCC2	2001254107	ICSTVXDHGYFWNS-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)NC[C@@H]1CC12CCCCC2	2001272531	DOPJYALYERURPM-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](C)(O)C[C@]1(C)CCCCC1(F)F	2002585228	AFUOFCKKZUNOEM-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@H]1[C@H]2CCCCC[C@H]21	2002801072	MPTQXNIVUWPBHN-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC([C@](C)(N)[C@H](C)C(C)C)CC1	2002920475	FBCZYDHPEHGOEU-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(O)C1CCC(CC)CC1	2002928562	YSFOZNCZMPSYAU-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCCCCCC[C@@H]1NC	2003110386	CTXDUXWQFMNLHC-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](C[C@@H](C)C2CCCCC2)C1	2006660500	HHJLNMGXORLEBY-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C[C@H](N)C=C1CCCCC1)C(C)(C)C	2007934417	KEILBQKNPLKRKJ-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@](N)(C=C2CCCCC2)CC1	2007968927	WWTLKCOYVVNDIJ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](CC)CC1)c1ccsc1	2010724957	FKAJXDMEKMBMEB-WFASDCNBSA-N	249.423	4.535	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)C1=CCC(C)(C)CC1	2010747560	KUHOWRDJBUGMGC-GJZGRUSLSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C[C@]12CCC[C@@H]1C2	2011023740	GUKFDPSWIMMMJJ-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCNc1cc(F)c(C)c(F)c1	2013715971	LXIBOUDZWDXAMH-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
CCC(CC)(CNC)CC1(C(C)(C)C)CCC1	2017145373	HZGFAFVPWDBHSY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@]1(C)CCCC(C)(C)C1	2017622627	KMUNRBKOQIKTIB-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@@H]2CC[C@@H](C)C2)CC1	2017655038	JOKRHLNVCZHAGY-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](N)(C[C@H]1CC[C@H](CC)CC1)C(C)(C)C	2017729269	UXZXBQZIKUCIFP-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CC[C@@](N)(C[C@H]1CC[C@H](CC)CC1)C1CCC1	2017729732	ZRCKDMMPUKPXMB-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC(=O)[C@H]2C)CC1	2017774619	QWXOQWZXBWHKQB-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@@H]1C=CCCCC1	2018187697	HJPUSPNSYGQDLQ-CVEARBPZSA-N	237.431	4.633	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CCCCC2(C)C)CC1	2018969444	FTAZCYSRRUSHQY-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CCN(CCCCCC(C)C)CC1	2019341145	WQARHDIMCSMMKJ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCCC1(C[C@H]2CCCC(C)(C)[C@H]2O)CCC1	2020403116	NTSNIAOCJYWHIA-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](CCCCCC2CC2)[C@@H]1O	2020403386	QKTPLVREWNRSJX-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCN([C@@H](C)CCC(C)C)[C@@H]1CCCC1(C)C	2022049660	OGFOPUMSCPLTCK-LSDHHAIUSA-N	239.447	4.712	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@](C)(N)CC1CCCCC1	2022563358	QAUSQSSLLYUTNE-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CCC[C@@H](C)[C@@H]1C	2023000212	ZUPBHVHOPNPERZ-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CCC[C@@H]1CC(CC)CC	2024001688	UAVHUZGHYXANCN-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(CCCCCC2CC2)C1	2025628095	AQBAOBULQOLXIO-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
c1sc([C@@H]2CCC[C@H]3C[C@@H]32)nc1C1CCCC1	2026607843	WCKWAHLKWOFWQY-XQQFMLRXSA-N	247.407	4.704	0	10	BJAE	
CCc1cc(C)cc(CC)c1NCCC1CCC1	2028395252	UARAVEFXLJEXON-UHFFFAOYSA-N	245.410	4.722	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)c1cccc(C2CC2)c1	2028550510	WPFOVJPJBBSFID-OAHLLOKOSA-N	246.394	4.670	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@H]1CCCC2(CC2)C1	2028632263	XZRDSKZZGUCATF-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
N[C@@]1(CCCCCC2CC2)CCCC[C@H]1C1CC1	2028645564	RXUCSYSCUWLHKX-IRXDYDNUSA-N	249.442	4.645	0	10	BJAE	
C1CCCC(NC[C@@H]2C[C@@H]3CCCC[C@@H]32)CCC1	2028776864	YFEDMWYFLCSNTM-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCCC1)C1CC[C@@H]2C[C@H]2CC1	2028966176	ZFDUXUPRRICLGS-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@H](Nc2ccc(F)cc2)CC2(CC2)C1	2030288530	PACMRWXAHXGVCR-AWEZNQCLSA-N	247.357	4.597	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1ccc2ccccc2c1	2032305086	DAYXBYOGVVCVBI-UHFFFAOYSA-N	240.346	4.705	0	10	BJAE	
CCCc1ccc(C2(O)CCCCCCC2)cc1	2035544896	RIWFDERYHPLONG-UHFFFAOYSA-N	246.394	4.571	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@H]1C[C@H]1C=CCCC1	2035599314	MOELPKOZQCKBDO-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CN(C1CCCCCC1)[C@@H]1CCC2(CCCC2)C1	2036771332	NETUBRJDFSEHGB-MRXNPFEDSA-N	249.442	4.754	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@H]1CC[C@@H]2C[C@H]2C1	2037130037	KKYUHPQOSBOYDJ-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@H]1CCC2(CC2)C1	2038566677	DYRWQUBECSJCBB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@H]1CC12CCCCC2	2039013243	WCYBNKDMGOBPNJ-OAHLLOKOSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	2039369474	JQMPNUXZSRCZFP-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CCC(C)(C)C1CC1	2039434669	LATPOVAPNRDURN-CWRNSKLLSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCCC1)C1(CC)CCC1	2039722057	LSNRTCNIHFZEBM-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H]([C@H]1CCCC[C@H]1CC)C1(C)CC=CC1	2042018482	FWSIYWFVWNSINV-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(OC[C@@H]2CCC=CCCC2)cc1	2045312797	QTLKBWILLJKPKO-MRXNPFEDSA-N	244.378	4.764	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1NC1CCC2(CCCCC2)CC1	2045670154	DTFBFTFCBSETQX-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@H]1CN(C1CCCCC1)C1CCCCC1	2046580483	CLJPUPBFGUSLTQ-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)C[C@@H]1CC12CCCCC2	2047059484	QKANOBIQCTUNIR-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C1CC(C(C)C)C1	2048608542	PRCUOPUAVBBSKL-PBMMVSLJSA-N	249.442	4.523	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CCC2(CC2)C1)C1CCCC1	2049853523	FBRGJJYWHLAPJA-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@H]1CCC2(CC2)C1	2049865987	OCXBUJSBVFTPSM-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)[C@]1(C)C=CCC1	2050005752	ILDHEJZJJQYPCM-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)CCC31CCC1	2053340304	ZOULCNTVVDEJOK-UHFFFAOYSA-N	239.362	4.659	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1N[C@@H]1C=CCCC1(C)C	2055531957	KVTVZIAAPMHSEE-QLFBSQMISA-N	249.442	4.536	0	10	BJAE	
CCCN[C@H](CC1CCC1)C1(C2CC2)CCCC1	2057603192	DIOSFCYHPXXYOA-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](O)c1ccccc1C1CCC1	2059221912	TWZWVULANIFANS-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
C/C=C/CCC[C@@H](NC)c1ccccc1C(C)C	2059248858	BZPTYSGZIVFUBT-FUTAKVPZSA-N	245.410	4.817	0	10	BJAE	
CC=CCCC[C@H](C[C@@H](C)c1ccccc1)NC	2059258914	KNSUYLLFPHQEME-NVXWUHKLSA-N	245.410	4.515	0	10	BJAE	
C=C=CC[C@H](C[C@H](C)C1CCCCC1)NCCC	2059443676	HNDWEIINDGUPRB-DOTOQJQBSA-N	249.442	4.692	0	10	BJAE	
C[C@@H]1CC=C([C@@](C)(N)[C@@H]2CCCC(C)(C)C2)CC1	2060912918	HXRHGPQRDOUBBF-FRFSOERESA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCCCCC2(C)C)CC1	2061110451	GTVOBZUUYXSMNA-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CC[C@@]23CCC[C@@H]2C3)C1	2061604585	AIQHNQGBKFTRER-RUCLQGLUSA-N	248.410	4.598	0	10	BJAE	
C[C@@](N)(CC1CC(=C2CCC2)C1)C1CCCCC1	2061695446	CQRVUNVPCKSCKE-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)CC1CC(=C2CC2)C1	2061725516	GLUDKMQGSCLBDS-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1C[C@H]2CCC[C@@H]2C1	2063407940	UEUOBWLEHHNFIN-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
CC(=CCCNC(C)C)CC1C[C@@H]2CCC[C@H]2C1	2063492055	WJWMTVNXAMKAEG-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1[C@@H]1CC(=O)CC(C)(C)C1	2063713545	MZQVGHZQKWRVQR-CQSZACIVSA-N	244.378	4.502	0	10	BJAE	
CCCCCC1(CNC2CC2)CC2(C1)CC2(C)C	2064008281	SOPHZMSRMNWWAS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@@H]2C[C@H]3CC[C@H]2C3)CCC1	2069277948	CHTOMTUVPJKBAQ-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCCC1(Cn2ccc3ccc(F)cc32)CCC1	2069279690	ZVXIGODOXLJLOG-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)C1(CC2CC2)CCC1	2069512016	XOJRJEDPWNEPCW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)C2(CC3CC3)CCC2)C1	2069514545	KPAUJSZPLLGMFZ-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@]12CCC[C@H]1C2	2070969438	AOEAZEKRJFGCLY-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(CC2(C(C)(C)C)CCC2)C1	2071926303	NULUXVSMBYEJBP-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNC2CC2)CCC[C@@H](C)C1	2072407878	NLVQZTCNYOGTLJ-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@]23CCC[C@@H]2C3)CC1	2072872606	DRSVDJGJQYNAIQ-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H](O)C[C@@H](C)c2ccccc2)CC1	2074619224	NYOCWFINRGVUMB-GDBMZVCRSA-N	246.394	4.512	0	10	BJAE	
CCCC1(CN(C)[C@H]2C=CCCCCC2)CCC1	2074806402	ZFCIJYPUHGDRPS-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC(C)[C@H]1CCCCN(CCC2=CCCCC2)C1	2075152481	UTTXPZMIYLJUJS-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@@H]1C1CCC1)C1CCCCC1	2079326379	ZSGSDNVRLMZMKG-DAXOMENPSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@H]1C[C@@H]1C1CCCCCC1	2079426359	ALEACHQSXAAHTB-MLNLMIINSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CC(=O)C1(C)CCC2(CC2)CC1	2079842603	OWAGJPQUOPRRFK-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@H]2C[C@H]2C(C)(C)C)c1	2079849959	BUTDXFJMGQWAQZ-UKRRQHHQSA-N	244.378	4.558	0	10	BJAE	
CCCC1CC(C(=O)C[C@H]2C[C@H]2C2CCCC2)C1	2079852287	PRWBUVBCIFLJCB-UHDQLFAASA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C(C1CCC1)C1CCC1	2079859876	ATLLANPYKDSDIZ-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@]1(N)CCCC12CCCC2	2079865069	NYDNYWYZIUTUPZ-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1[C@H](C)CCC[C@@H]1C[C@H]1C=CCCC1	2082832930	SUVKFUOBAGSBOP-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C)c(CNC(C)(C)CC(C)C)c1	2082910255	QFINDUCLEGRLLF-UHFFFAOYSA-N	247.426	4.526	0	10	BJAE	
CC1(C)CC(CC2=C[C@H](N)CCC2)CC(C)(C)C1	2082990701	KITLFUFFVMCPQB-OAHLLOKOSA-N	249.442	4.667	0	10	BJAE	
CCc1ccc(CC)c(NCCC2(F)CCC2)c1	2084765408	UMNQOTPGEHSDBY-UHFFFAOYSA-N	249.373	4.506	0	10	BJAE	
CC[C@@H](CCC(C)(C)CC)CN[C@@H](C)CC	2212588687	NAVQZVMRTSKMSX-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H](CC)C1CC1	2212631215	MBXBDZALCWLLJJ-ZDUSSCGKSA-N	237.774	4.503	0	10	BJAE	
CCC[C@@](C)(CCCCCCC1CC1)C(=O)O	2213539679	VLKZTKWRGDAQMB-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NCCCCCCC1CC1	2213575384	FQEWLYZLPSNGGX-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)C2CCCCC2)C1	2214769435	YJNVQFBPWDJCME-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CN)CC1(C)CC(C)(C)C1	2215393931	DZJWKTVAVGIYGP-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@@H](CC)CNC[C@@H]1CC=C(C)CC1	2215808856	GUKWJTFJOFRYDO-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCCCCC1(CNC2CCC2)CC(C)C1	2217123917	CIUHHRHMHWTVRP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC(C)(C)CC)C1CCC1	2217153179	KFJGAFLJBJRIGK-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(CNC1CCC1)C1CC1	2217153972	PSBLEDBJXKPGLW-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218329146	APXCZCRKRZFPSC-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](O)CCC2=CCCCC2)CC1	2221613147	BYIJYMXVZBTQEW-DLBZAZTESA-N	248.410	4.764	0	10	BJAE	
N[C@@H]1CCCCCC1=CCCCCCCC1CC1	2223127734	VTFRQRTYKZZJOE-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)C[C@@H](C)N	2244844467	ALTJJAGFCFTFCQ-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
CC(C)=CCCc1cccc(CC2CC2)c1	2245263761	YZUMCYPTOXIXEQ-UHFFFAOYSA-N	214.352	4.538	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)CC[C@@H]2C[C@H]2C)C1	2246662020	DAEYTUWHYTXBGC-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC[C@H]1CCC[C@@H](C)C1)CNC	2246665057	JQVDALPFXKMUKB-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C2(C)CCCC2)C1	2246665239	RLKYTJLERAQCNY-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)CCC(C)(C)C)C1	2246671450	XUIZKBWPDXNLCY-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCCC1CC(O)(CC[C@@H]2CCC[C@H](C)C2)C1	2246695457	UKMDBZNHPQFKLK-FXQLRMTLSA-N	238.415	4.534	0	10	BJAE	
CC(=O)c1ccccc1-c1sc(C)c(C)c1C	2246818927	IBSVHLQBAHUAGS-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
Cc1ccc(OCCCC[C@H]2C[C@H]2C)cc1C	2247118507	HMGOBNARUVKLTN-CABCVRRESA-N	232.367	4.509	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@H]2CCC2(C)C)CC1	2247447331	MBUGYWOVEWMPBR-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCC1([C@@H](N)CCCCC[C@@H]2C[C@@H]2C)CCC1	2248842660	RSBPOLHBHJFPMW-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CCCCC[C@@H]1C[C@@H]1C	2248844154	WGUHCXYORONIRD-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC[C@@H]1CCCC12CC2	2250384325	AUQMRNPOGMRUIG-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN1CC[C@H]1C(C)C	2250474173	LJLFDCCKITVTLD-CVEARBPZSA-N	239.447	4.569	0	10	BJAE	
CC=CCCC[C@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251725265	UTADUPGCCKQAAR-UONOGXRCSA-N	238.415	4.556	0	10	BJAE	
CC1CC(C)(C[C@]2(N)CCC3(CCCCC3)C2)C1	2253656982	WCUPPRWHZIXEIP-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@H]1CCC[C@@H](C)CC1	2255050904	MJAOHMBCYNWZQK-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CN(CC1=CCCCC1)CC1CCC(C)(C)CC1	2255145176	CYUUZSPPLUQRRJ-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@H]2CCCC23CC3)C1	2255229874	SPIVOPZNIZBKKK-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H](C)CC(C)C)cc1	2256236170	CPUPITHBUNSOCC-CQSZACIVSA-N	246.394	4.894	0	10	BJAE	
Cc1ccccc1N(C)CCCCC[C@H]1C[C@H]1C	2257289065	ITIKUZNOAGYFGC-CVEARBPZSA-N	245.410	4.648	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNC1CC2(CCCC2)C1	2257311741	NTFVKIZXZKBZLM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C(C2(O)CCC=CCC2)CC1	2257919805	RTLHHKWBIZVQMO-CQSZACIVSA-N	248.410	4.620	0	10	BJAE	
CCC1CCC(NC[C@]23CCCC[C@H]2CC3)CC1	2260527978	PXSZQZDSNIKHFR-ODZFXCKXSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@]12CCC[C@H]1CC2	2260585699	CQQJPCJLLWAMPB-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H](C(C)C)C1CCC1	2298839055	PQYGEPZJLKVZPJ-GDBMZVCRSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C1=CCCCCCC1	2300496586	LQOUBTILNDBXMO-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCC(CC)CC=C1CCC(C)(C)C[C@@H]1CN	2300675287	CVFRAKKPJNNVGQ-OAHLLOKOSA-N	237.431	4.524	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@H](C)C1CCC1	2300689429	YCNYZCXFXJSCKD-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](NC)[C@H](C)[C@@H](C)C(C)C	2301837920	CMUQWSZTMXCNQT-ZJIFWQFVSA-N	241.463	4.575	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@H](C)[C@H](C)C(C)C	2301841054	SEFCFEWIYFJLOX-BZUAXINKSA-N	241.463	4.721	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)[C@@H]1CCC[C@H]1C(C)C	2301898176	XKIONVRBSCNTTA-LJISPDSOSA-N	238.415	4.556	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@H]2C[C@H]3CC[C@H]2C3)n1	2302258114	LRVMBSLXAQHDDC-FIQHERPVSA-N	247.407	4.560	0	10	BJAE	
CCc1cscc1NCc1c(C)cccc1C	2302884946	KTAFTFHFVXXOAD-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCC[C@](C)(CN)C[C@H]1CC[C@H]1C(C)(C)C	2303475710	CSLSNBLQUZCKKF-FMKPAKJESA-N	239.447	4.604	0	10	BJAE	
CC1=C(C)C[C@@H](CC[C@H](N)c2cccs2)CC1	2303524022	LYBLMUJSONOADC-KGLIPLIRSA-N	249.423	4.665	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2310426943	OCTMUXSXWQYHEA-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2312959408	FBTBXJGEFJVSSS-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312960925	ZMTVHAYHQRYVQJ-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)N(C)[C@@H]1CCCCC12CCC2	2313598585	GUQPWRDGVZQBLW-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H](N)C[C@@H]1CCCCC12CC2	2313705353	SIXHUHKPOMCEAA-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@H](O)C(C(C)C)C(C)C)ccc1C	2314701701	FIWUQJPQFKLAGQ-KRWDZBQOSA-N	248.410	4.519	0	10	BJAE	
CCCc1ccccc1[C@@H](N)CCC(CC)CC	2316240245	MHMRTSZUMGOVTD-KRWDZBQOSA-N	247.426	4.855	0	10	BJAE	
CCC(CC)CCC1(CN)CC2(C1)CC21CCC1	2316269145	QMQUDICJNAGWKE-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](C)c1ccc(C2CCC(C)CC2)cc1	2317109448	OTPHRCWZHHOQMH-BBBYJDLNSA-N	245.410	4.651	0	10	BJAE	
CC1=C(C)[C@@](N)(CCCC2=CCCCC2)CCC1	2318573708	VOWQWRXQXQRBGD-KRWDZBQOSA-N	247.426	4.875	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)[C@@H]1C[C@H]1C(C)C	2318577893	ZOPUBXWZGUFLOK-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
C[C@]1([C@H](O)CCCC2=CCCCC2)C=CCCC1	2318581008	RLNVGYLFDWQJBB-SJORKVTESA-N	248.410	4.764	0	10	BJAE	
CCCN[C@H]1CC[C@H](CCCC2=CCCCC2)C1	2318584042	WEHLGWABBGISEF-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC2(CC(CC[C@@H]3CCCC[C@H]3N)C2)C1	2318803831	NVFUSZQEYNBUEU-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC[C@H](N)c2ccccc2)C1	2319123940	NUCWABVMJAPJFA-HOCLYGCPSA-N	245.410	4.683	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2320377735	FFZHPKDAOSDFKF-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@H]2C=CCCC2)c1	2320571927	NYNZSNUMNGURTR-CQSZACIVSA-N	242.362	4.739	0	10	BJAE	
CCC(C)(C)C[C@H](O)Cc1cccc(C(C)C)c1	2320624102	RDMPYVVYJXDACX-MRXNPFEDSA-N	248.410	4.540	0	10	BJAE	
CC(C)CC(=O)CCc1cccc(C2CCC2)c1	2320667372	MFYJSIDEXMIAMG-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@H]2CCC23CCC3)C1	2321636467	IXPVWMAMVDVJJY-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC2CC2)CC=CCC1	2328082432	CEGBSFNPJQJMEA-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc([C@H](C)Nc2ccc(F)cc2)cc1	20551868	FNSHDCAZLXMBIC-LBPRGKRZSA-N	243.325	4.561	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)c1ccc(CC)cc1	35494985	BHORNNRUYCZKAI-RDJZCZTQSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](O)c1ccc(C2CCCCC2)cc1	36162776	KKDRTXNXZRHGEI-INIZCTEOSA-N	232.367	4.568	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C[C@H](C)CC(C)(C)C)c1	36889573	KVMWCQOJHUODRS-XJKSGUPXSA-N	247.426	4.766	0	10	BJAE	
CCCC(CCC)Nc1ccccc1COCC	37160276	VSMRBVXJKIQOFV-UHFFFAOYSA-N	249.398	4.604	0	10	BJAE	
CC[C@H](C)c1ccc2nc(C)cc(Cl)c2c1	37413124	BYTIPLAONXUPEV-VIFPVBQESA-N	233.742	4.710	0	10	BJAE	
CN[C@@H](CC1CCCC1)c1ccc(C(C)C)cc1	37865265	OGDMAWAAFPOMGQ-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCCCCC[C@H](C)O[C@H](C)c1ccc(N)cc1	40909153	VGMJLZGYUPIULN-UONOGXRCSA-N	249.398	4.705	0	10	BJAE	
Cc1ccsc1[C@@H](C)N[C@@H](C)CCC(C)C	69635988	HXZJTQPCEAMSIU-QWHCGFSZSA-N	239.428	4.532	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@@H]1CCCC(C)(C)C1	79971637	FWIRZFBHLFSSBF-LSDHHAIUSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cccc3c2CCCC3)C1	80426108	FAROOZKDOWDEFB-UKRRQHHQSA-N	243.394	4.556	0	10	BJAE	
C[C@H]1C[C@@H](Nc2cccc(Cl)c2)CC[C@H]1C	82835873	PRZNNDNOEVCLKI-SUNKGSAMSA-N	237.774	4.577	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@H]1CCC[C@H](C)C1	88764932	DKEZKPRVVDIYRV-GWCFXTLKSA-N	238.758	4.606	0	10	BJAE	
CCCC[C@H](NCCC)c1cc(C)cc(C)c1	93073884	KTTPXRPJEIZNRG-INIZCTEOSA-N	233.399	4.534	0	10	BJAE	
CCCN[C@@H]1c2ccccc2[C@@H](CC(C)C)[C@@H]1C	94065274	UZRNJHDHYRBASR-JQFCIGGWSA-N	245.410	4.507	0	10	BJAE	
CCCc1ccc([C@H](CC)C[C@@H]2O[C@H]2CC)cc1	107477509	UVAIKVZOBTVCFM-PVAVHDDUSA-N	246.394	4.700	0	10	BJAE	
CC[C@@H]1O[C@@H]1C[C@@H](CC)c1ccc(C(C)C)cc1	107635469	KNJWLOUBRMAVRM-XOKHGSTOSA-N	246.394	4.871	0	10	BJAE	
CC(C)c1ccc([C@H](O)CC2CC2)c(C(C)C)c1	109787739	NRWKSZLDLYJFBP-QGZVFWFLSA-N	246.394	4.767	0	10	BJAE	
C[C@@H](N[C@H](C)C1CCCCC1)C1CCCCC1	109950613	MOXZXKYKIRWACN-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CC(C)(C)CNCC(C)C	110194543	MNLSGUPMGJYDDI-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
CC(C)Cn1c(-c2ccccc2)cc2ccccc21	147451658	JNFXYFAVSFZETH-UHFFFAOYSA-N	249.357	4.964	0	10	BJAE	
CCCCC[C@@H](O)c1cc2sccc2s1	168419837	JLZBOOQNPPEZDT-SECBINFHSA-N	240.393	4.577	0	10	BJAE	
CC(C)Sc1ccc([C@@]2(C)CCS2)cc1	212039159	LTVFQTWZAQOCAU-CYBMUJFWSA-N	238.421	4.539	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC[C@H]2C(C)C)c1C	214420408	SUBSBSZYLVYCQW-RDJZCZTQSA-N	245.410	4.930	0	10	BJAE	
CCCCC[C@@H](NCC=C(C)C)c1ccccc1	228872159	KHGCFMAZLRLREI-QGZVFWFLSA-N	245.410	4.864	0	10	BJAE	
c1ccc2c(c1)C[C@@H](c1ccccc1C1CCC1)N2	229630540	FHCOBLJWXIZEQN-SFHVURJKSA-N	249.357	4.663	0	10	BJAE	
CC(C)C[C@@H](C)[C@H]1CNc2c(Cl)cccc21	232626402	UEYSJXWDNWZJCE-ZYHUDNBSSA-N	237.774	4.531	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(N(CC)CC)cc1	233284160	JMLKZWZZTHQOTC-CQSZACIVSA-N	248.414	4.523	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2ccc(F)c(C)c2)C1	235404851	WTASBFOSLXGKEW-SMDDNHRTSA-N	247.357	4.538	0	10	BJAE	
Cc1cc(C)c(C(=O)C2(C)CCCCC2)s1	235817915	NBSLLVBWAQGONS-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCC[C@H]1C(C)C	251403708	VYUVYRXNMDVHFD-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)CCCC[C@@H]1C(C)C	305919237	HKCBJBBBCXFFSR-XHSDSOJGSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(C)c(O[C@H]2/C=C/CCCCC2)c1	305991892	MFHJIMNIWLOIAC-VFADXPBXSA-N	230.351	4.571	0	10	BJAE	
Fc1cc(C(F)F)c2sccc2c1Cl	306697702	GFFFCSUTKLJGFG-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1csc2c(Cl)c(C)ccc12	307564520	YRANNFICAOKUTI-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1ccc(C(C)C)cc1	308012687	CNQBZVCQNDZUDS-RHSMWYFYSA-N	248.410	4.916	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C[C@H]1CCC[C@H](C)C1	308032219	PJQMRYVTOKIIQV-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](O)CCCC1CCC(C)(C)CC1	309414949	GUONKECKFCPPHA-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
C[C@H](C(=O)c1ccccc1)[C@H]1C=CCCCCC1	310609327	AOAFKWQETVVGFC-GJZGRUSLSA-N	242.362	4.642	0	10	BJAE	
CCN[C@@H](C)c1cccc(C2=CC[C@H](C)CC2)c1	310618058	FRMSVAWZYWJJGM-KBPBESRZSA-N	243.394	4.561	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC(C2CCC2)C2CCC2)CC1	310656633	QAFMXQOMFFAYCG-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1C(=O)C(C(C)C)C(C)C	310909631	DSQPOOHCNZCPJB-UHFFFAOYSA-N	246.394	4.921	0	10	BJAE	
CCC[C@@H](Nc1c(C)cccc1F)C1CCCC1	313416831	VSPPHSAZXIEKLK-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
CCC(CC)[C@]1(CNC(C)C)CCC[C@H](C)C1	317837460	KHACLIGWAXQUIW-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	319624587	OQMBBIIHRWHWPA-QWHCGFSZSA-N	234.383	4.798	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C(C)C)C1CCC1	324880737	DLZIBLRSWURODA-ZBFHGGJFSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(C(=O)CC2CCC(C)CC2)c(C)c1	380964285	UNYVUUALFIJJPG-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CCCCCC(C)C)C1	383358058	GAIPMCRPSNVVOM-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
Cc1cc(F)c(N[C@H](C)CC(C)(C)C)cc1F	385264617	XKMWSGSPNAHLPG-SNVBAGLBSA-N	241.325	4.510	0	10	BJAE	
C[C@H](C[C@@H]1CC[C@@H]2CCC[C@@H]2N1)C1CCCCC1	386151166	CPPPQUBRWXWVEN-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
c1cc(NC(C2CC2)C2CC2)c2sccc2c1	386270362	ZCGKRHIVTVGKAX-UHFFFAOYSA-N	243.375	4.502	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H]2CC23CCCCC3)C1	387095863	DVKZUFGKGXFRAO-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](CCCC(C)C)NC)CC1	392958114	NZGCPRNTSVEHRI-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
Fc1ccc(NCCC2CCCCCC2)cc1	394547944	YWMFMKVGVKXMOC-UHFFFAOYSA-N	235.346	4.598	0	10	BJAE	
Cc1ccc([C@H](O)C2(C)CCCCCC2)cc1C	394666113	NCSYGBBHPZCULY-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CCc1ccc(C)c2cc(C(F)F)sc12	396218294	IYZBXBGLSXFJGC-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1cc(C(F)F)c2sccc2c1C	396228363	RNCYNEXTGJPRKB-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CSc1c(C(F)F)sc2c(F)cccc12	396235961	HXAMJUSQRALSBA-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1ccc(C)c(C)c1	401587262	NVMZGBVDIGOWKQ-JKSUJKDBSA-N	245.410	4.932	0	10	BJAE	
CC(C)(C)C(=O)CC1(c2ccccc2)CCCC1	686737234	KTUIVOSNYIDXPF-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCC[C@@H](C)CNc1cc(CC)ccc1CC	689595188	HVRJQVSPSWNEIV-CYBMUJFWSA-N	233.399	4.660	0	10	BJAE	
C[C@@](O)(CC1CCCCC1)C1CCCCCC1	689723563	ILQMNELXRVLMBD-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC1(C[C@@](C)(O)CC2CCCCC2)CCCC1	689726269	NRXQCDNMGZBYQX-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCC1CCC(C)(C)CC1	695099926	QNMBYDJUBIWXOM-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@H]1CCCC2(CC2)C1	695986133	QUFIZKPLSHYHHR-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](NCCC=C(C)C)c1cccs1	697778554	YEVNCDDZEHGVFU-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
CC(C)=CCC[C@H](N)c1ccc2sccc2c1	697805966	CZFYDGZZVIXGRN-AWEZNQCLSA-N	245.391	4.648	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CC(C1CC1)C1CC1	697825091	DWORJXOAMDOOST-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C(=O)c2ccc3sccc3c2)C1	701471206	QECRSYHYIRFSGH-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
C/C=C/[C@@H](NCCC)C1(CC(C)C)CCCC1	704654766	UTBBKXIRFINLKE-FUVBFXSKSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)CCCC(C)(C)C	704723686	NAKAYOBNVOAQAH-STQMWFEESA-N	228.420	4.636	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC1(C)CCCC1	704959660	VSWJJONXCHQZTK-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](C)[C@H](CCC(C)(C)CC)C(C)C	711294623	QFPIEHMHTADBEG-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCc1ccc(C(=O)CC(C)(C)CC)cc1CC	711328404	LVYJFPHBEZWWKY-UHFFFAOYSA-N	246.394	4.820	0	10	BJAE	
CC(C)(C)C[C@H]1CCCC[C@@H]1CNC(C)(C)C	713166015	CULSPVBQJNDLMO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCC(C)=C(C)C)NC	718604251	ULXNOZQXGLNVRI-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
COc1ccc(CCCC(C)=C(C)C)cc1F	718669889	PZWLKCNJMBCJDJ-UHFFFAOYSA-N	236.330	4.513	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1(C)CC(F)(F)C1	720508400	ILRWHDYTWDIFMN-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](C2CCCCC2)C2CC2)C1	723946642	FULXKMTZTJFKAT-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
C1CCC(CCSC[C@@H]2CC[C@H]3C[C@@H]3C2)C1	1189831351	HKQHNDSXFRTDLM-ILXRZTDVSA-N	238.440	4.736	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2CCCC23CCCCC3)CC1	1206636859	UCCDEXOXINMYJX-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
Cc1cc(O)ccc1-c1cccc2sccc12	1240644299	JMQWOZZSLYLQCG-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
C/C=C/CCCc1cc(Cl)ccc1Cl	1885373160	LRUZOQQNUYIGFF-NSCUHMNNSA-N	229.150	4.892	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H](C)[C@H](C)C(C)C	1901618161	OZXZFWITOZLTSF-RDBSUJKOSA-N	226.404	4.700	0	10	BJAE	
COc1sccc1CCCC1=CCCCC1	1901962842	SFAYGVLKVYNEDO-UHFFFAOYSA-N	236.380	4.580	0	10	BJAE	
CC(C)CC12CC(C[C@@H]3C=CCCC3)(C1)C2	1903369812	KEAYDPGUXUUPRZ-QQFBHYJXSA-N	218.384	4.949	0	10	BJAE	
CCCCN(CCCC)C[C@@H](CC)CCC	1905299114	DAPDGKDDLCGROW-HNNXBMFYSA-N	227.436	4.715	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CCC)C1CCC1	1905454255	PZVKHQYFEQXQHD-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC[C@H](N)CC1CCCC1	1905454731	UWBVYONSVKVYHR-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H]1C[C@H]1C(C)(C)C	1910744169	GUEQXFPDAZFNRF-LZWOXQAQSA-N	239.447	4.604	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C1CC2(CCCC2)C1	1912645725	LVJILXKOVPWKHD-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@]1(CNCCC)C=CCCC1	1916562474	GCUOLHXFILJEFM-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CCCC1CC(CNCCCCCC(C)C)C1	1921239345	JCZGGYITWAFMHD-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)C1CC(CCC)C1	1921273324	ROEJRWVUNVVGLQ-OTBWCIGPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	1921540797	IOLQSKYGYFWGBB-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1csc(-c2csc(Cl)c2)n1	1924574851	QVSNCQXCACSQAR-UHFFFAOYSA-N	243.784	4.648	0	10	BJAE	
Clc1sccc1C[C@H]1C=CCCCC1	1925854648	PBDJJONANCWXTQ-JTQLQIEISA-N	226.772	4.690	0	10	BJAE	
CCC[C@]1(C[C@@H]2C=CCCCC2)CCCCCN1	1925926054	FCKAPBPSESUJIO-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CCC(CC)CCNc1ccccc1Cl	1926202507	GNFOHFGTSUIMSV-UHFFFAOYSA-N	225.763	4.578	0	10	BJAE	
CCC(CC)C[C@@H](O)CC1CCC(C)(C)CC1	1926368014	ORJVGKJSIPLHKZ-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CCC(F)(F)C(C)(C)CC[C@H]1C=CCC1	1932595416	KGNXSEVMSVDMGE-NSHDSACASA-N	216.315	4.804	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CCCCCC(C)C	1936207421	VNOSKSZBGUEWPX-HUUCEWRRSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](CCC1(C)CCCC1)NCC	1939122868	QAQNMBRIOPOOSY-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(CC2(C)CCCCC2)C1	1940408153	SDLRICWHUGLXAB-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H](C)C1CC1	1940717058	ASOONFXWTFDLGS-CYBMUJFWSA-N	232.367	4.543	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CCC[C@@H]2CC2(C)C)C1	1940873320	QTNXZCRVBCMJHI-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](C)(N)C1CCC(C(C)(C)C)CC1	1941159229	RUUWFSAXHJNMIN-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H](CCC)C(C)C	1941273042	PEMUODSIPMOINB-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C(=O)C[C@H](C)CC(F)F)C(C)C	1941274264	YOYYQPLYTAAUIF-NWDGAFQWSA-N	248.357	4.555	0	10	BJAE	
N[C@H](CCCCCC1CC1)CC1CCCCC1	1941583542	GZMUSADBJVWHDX-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)NCC1(CCC(C)(C)C)CC(C)(C)C1	1941988873	TWTAIYOKJAJEHM-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)[C@H]1CCCCC1(C)C	1942653684	STZXFOYQOORKML-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CC(CC(=O)[C@H](C)C(C)(C)C)C[C@H](C)C1	1944205979	WFCMGBCPEBFXGG-UPJWGTAASA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)C(=O)C(C)(C)C1CCCCC1	1944644763	DVTDYPKTDOXBLN-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@](C)(N)CC1CCCCC1	1944830272	GHQJVRFWYGDJPA-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](NC(C)(C)C2CCCCC2)C1	1945382495	OVSJHQLSIRLPDB-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCNCCCCC(C)(C)C1CCCCC1	1946188922	XYQAXOQQTKUSMM-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@H]1C=CCCC1	1947584553	ALASIENYFVKNNG-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CCCC(C)(C)C1CC1)NCC	1948430207	PHEHOJSYNOYQRH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H]1CCC2(CC2)C1	1950268795	VXZUKNPNASHUSS-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2(CO)CCCCC2)C1	1950371418	JMQHNIHFYXGQJP-CABCVRRESA-N	238.415	4.536	0	10	BJAE	
CNC[C@]1(CC=C(C)C)CCCC(C)(C)CC1	1950914468	QCNMXBVJPSWLON-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)c1F	1965896166	KMFPAKKSCZQLCC-BTTYYORXSA-N	247.357	4.515	0	10	BJAE	
CCC1CCC(CN(C)[C@H](C)C(C)(C)C)CC1	1969046228	HMVVYSSJUOZJPL-WLYUNCDWSA-N	239.447	4.569	0	10	BJAE	
CC(C)Sc1ccccc1N[C@@H]1CCC[C@H]1C	1970342976	MMVVDADMEOMJPU-CHWSQXEVSA-N	249.423	4.788	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CN[C@H]1CCC2(CCC2)C1	1970869091	YAQONOJZTIKJCB-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)CNCc1c(C)cc(C)cc1C	1973167650	AREDSVOLUOUHKA-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
CCC(CC)Nc1ccccc1SC1CC1	1975977847	ZPRZNRFJHIAIOM-UHFFFAOYSA-N	235.396	4.542	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CC(=O)c1cccs1	1980686731	GNBQANKCELQYCQ-RYUDHWBXSA-N	236.380	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C(CC)CC	1984630372	QJMUAQYVZDPGQU-FUVBFXSKSA-N	225.420	4.537	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1cscc1C(F)F	1988302178	KCFREFGQMPGUDF-QMMMGPOBSA-N	246.322	4.551	0	10	BJAE	
CCCC1(C[C@@H](O)CCC(C)(C)C)CCC1	1988466792	NLQBHHWGROYJHG-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)N(C)C[C@@H](C)CC(C)C	1990123582	NFIWSGIPRDGKOQ-LSDHHAIUSA-N	227.436	4.569	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@H](C)C1)CC(C)(C)CC	1996273084	YADFXJUFTDMQSG-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](C)C1CCC(C)CC1	1996595400	VNNSBMNBRRGLIY-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](N[C@H]1CCCC2(CCC2)C1)c1ccsc1	1997041540	BWFRLQQAZFUYHP-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
CC1CC(CC(=O)C[C@H]2CCC=CCCC2)C1	1999982183	XHBUUFMVSXEXSM-SLTAFYQDSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCC1(N)CCC2(CCCCC2)CC1	2000283649	UDOJFHIAKDSXRX-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(CC)C(=O)OCC	2000641279	COYQSWZGEIUPOY-HIFRSBDPSA-N	242.403	4.572	0	10	BJAE	
CC(C)CC[C@]1(N)CCCCC12CCCCC2	2001572131	KQVJEDUDFCDGQX-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
O[C@@H](C1CCCCCCCCCCC1)C1CC1	2001966761	KYFIBAXKMUGZFP-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@H]1CCCC2(CC2)C1	2003275540	OGOAGPDGJHCJMJ-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@]1(CO)CCCC12CC2	2005579696	LLLPRLDIUVZOGQ-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CC[C@H](CC(=O)[C@H]1CCCC[C@@H]1F)C(C)(C)C	2006748511	WXJWONWTUKPBDL-AGIUHOORSA-N	242.378	4.546	0	10	BJAE	
CN[C@H](CCCC(C)C)C1(C)CCC(C)CC1	2007697640	PVYHTCSXUWGQKC-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCN(C)[C@@H]1CCCC(C)(C)CC1	2009577858	OXYALBQEEBJBDG-LLYBFZRZSA-N	237.431	4.633	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCCCCCC[C@@H]1O	2009590199	PGUQYMRZIXKBNP-VNHAASDWSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@@]1(CNC(C)C)CC[C@@H](C)C1	2009619926	POMWODYISWWVOH-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCC)CCCC1(C)C	2009620044	QWYCGMIEPLIOMA-YERXGYGTSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)C(CC)CC	2010719102	UAZXTIZTHILLFW-CJNGLKHVSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(NCC[C@@]23CCC[C@H]2C3)cc1Cl	2010995831	TVHRORXPOTXPBR-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C12CCCC1CCC2	2012119745	IHSYROVVPMNORI-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@](CC)(C[C@@H](C)CC(C)C)C(C)C	2012418142	ZMTRHBKGQFHKCG-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CC(C)C[C@H](C)CN(C)[C@@H](C)C1(C)CCCC1	2014392855	NQKPWOXEMIMHGC-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
C[C@@H](NC1CCCCCCC1)[C@H]1CCC1(C)C	2014943520	VRXBSBAKCIJXRR-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@H](C)C[C@H](N)C1(C)CCC(C)(C)CC1	2015271579	ASXCULQXCOOEEE-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)CC1(C)CCCC1	2015276616	ZHWNBLVQPPFKAY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)C[C@](C)(O)[C@H]1CCCC(C)(C)C1	2015291881	WMEURINKLNYUQX-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC(=O)CC[C@@H]1CC1(C)C)C(C)C	2015379178	NNNUJTDOHZXWTK-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H](C)C[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	2015386119	KGDNQFSOFMNPNP-MCIONIFRSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)C[C@@H](C)C(C)C	2015395695	AVCOWHJPVSFXJM-PMPSAXMXSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCC[C@@H]2CC)CCC1	2015642591	RWBQZDPUOLINEG-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CN[C@H](CCC(C)(C)C)CC1(C(C)C)CCC1	2017140563	INPSIIUFHWWEAE-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](O)CC2CCCCC2)CC1	2017650729	KNEQCQOIBPHNDW-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H]2C[C@H]2CC)CC1	2017654320	CFDPFMKWQNYIGE-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC(C)(C)C(C)C)CC1	2017721236	ACYFWAHUQDIZGC-SHTZXODSSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC[C@H]1CC[C@H](CC)CC1)C(C)C	2017728691	OFBPKTCUIDOCBW-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1CCC[C@H](C)C1	2018137998	BDNXSNZXHVZHPE-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCCCN([C@@H](C)CCC(C)C)C1	2019409489	QZPCLBAFRKSTJP-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1CCCC(C)(C)C1	2024092373	QMVLKCVXIXYUNE-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCCC[C@H]2N)C1	2024096537	VOAXPRDPAHYWFE-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@@](N)(CCCCCC2CC2)C1(C)C	2025004756	UKBQUWSPUZECAM-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C(C)C)[C@H](C)N[C@H](C)c1ccccc1	2027109769	ODMUZKLZCGSZKC-CABCVRRESA-N	247.426	4.654	0	10	BJAE	
CCc1ccccc1N[C@@H]1[C@H](C)CC[C@H](C)[C@H]1C	2027793411	MHSQJIBBLMQKFJ-ZOMKSWQUSA-N	245.410	4.732	0	10	BJAE	
CC(C)CC[C@@H]1Nc2cc(C(C)(C)C)ccc2O1	2027872407	ZAZXQRBNQLAASE-OAHLLOKOSA-N	247.382	4.551	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1cccc(C(C)C)c1	2028235704	RWDIPMSNSBDERJ-IAGOWNOFSA-N	248.410	4.916	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1C1=CCCCCCC1	2028749888	BAXJJCOHJUZJPU-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1ccccc1C1CCC1	2029075310	QGKJKBDCYJXDMH-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
C[C@H](CC1(N)CC(C2CCC2)C1)C1CCCCC1	2029289552	QQKCWXHPUOTNQU-NVPAJSRCSA-N	249.442	4.501	0	10	BJAE	
C1CCC(C2(CNCCC3CCCC3)CC2)CC1	2029736488	RJLQJFWGOMDOGR-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1cc(C)cc([C@](C)(O)[C@@H](C)CCC(C)C)c1	2029835113	CYOTZSUWMANQMO-DOTOQJQBSA-N	248.410	4.583	0	10	BJAE	
C[C@H](CC(=O)[C@@]12CCCC[C@@H]1CCC2)C1CCC1	2031856563	ZKXGLPFLGUBRNB-FRFSOERESA-N	248.410	4.742	0	10	BJAE	
CC(C)C(Nc1cccc(C2(C)CC2)c1)C(C)C	2032246906	OUQHJFGBAFEEGW-UHFFFAOYSA-N	245.410	4.831	0	10	BJAE	
C[C@H]1CCC[C@H]1COc1ccccc1C(C)(C)C	2032477307	ASOSBUCHSVQCNH-KBPBESRZSA-N	246.394	4.799	0	10	BJAE	
CC1CCC(C[C@]2(N)CC[C@H]3CCCC[C@@H]32)CC1	2034256731	JMLBTQKDIVHTIT-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC[C@H]2C=CCCC2)CC1	2035559365	GCXVNFUNOIFGGR-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C[C@H]1C=CCCC1	2035574916	BZQDNKSUERBLAC-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C[C@@H](C)c1ccccc1	2036386403	YEMFFOBZQBRUPQ-HLLBOEOZSA-N	247.426	4.580	0	10	BJAE	
C[C@@H]1C[C@H](CC2CC3(CC3)C2)c2ccccc2N1	2036723894	HEPOMHKKKVPZQT-TZMCWYRMSA-N	241.378	4.555	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@@H](N)c1cccc2ccccc12	2037124145	BJIRXIYDAIKCHZ-PBFPGSCMSA-N	241.378	4.522	0	10	BJAE	
CC1(C)CC(CC(=O)[C@H]2CCC3(CCCC3)C2)C1	2037979138	ICLCDNACXRCTBF-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2[nH]c(C(C)(C)C(C)(C)C)nc21	2038006120	AXLBJLLPEHJYET-GHMZBOCLSA-N	248.414	4.734	0	10	BJAE	
CCC1([C@@H](CC2CC3(CCC3)C2)NC)CCCC1	2038090598	SWKBHEPWNJOBTP-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@@H]1CCC2(CC2)C1	2038584124	TWUXTOQAWYZEGS-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@H](Nc2ccc3ccccc3c2)CCCC1	2039185300	GWBZKCZEQXXNDE-INIZCTEOSA-N	237.346	4.751	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)C1(CC)CCC1	2039719064	CLTNWNQQCJSSIR-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC(C)(C)c1ccccc1	2040720716	DRVKLOLUNHACOW-OAHLLOKOSA-N	248.410	4.542	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@@H](CC)C1)C1(C)CC=CC1	2042018341	DMHRNOQDDIXNRL-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]([C@H]1CCC[C@H](CC)C1)C1(C)CC=CC1	2042018342	DMHRNOQDDIXNRL-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2CCC=CCCC2)c1	2045313783	CKWKSNKVIMGZAK-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N(C[C@@H]2CCC=CCCC2)C1	2045314102	GWKOYVPTHGUWPW-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
C[C@H](C(=O)[C@@H]1CCCC(C)(C)C1)c1ccccc1	2045449074	HSAHCIUKQYXFMH-DZGCQCFKSA-N	244.378	4.576	0	10	BJAE	
Cc1ccc(C)c(C(=O)C2(C)CCCCCC2)c1	2045610075	PGYPGLCMQVLMDW-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C1C[C@H](C)C[C@@H](C)C1	2045683042	UVHPPLLPLWHFKZ-UNIGVISCSA-N	248.410	4.620	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@H]1CC(C)=C[C@@H](C)C1	2045780063	ROCQZQPAGZUZCP-KBRIMQKVSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C[C@H]1CC=CCC1	2046001310	ZNDBISDEZSZRBW-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
O=C(CC1CCCC1)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047425037	QSAMSUAECOJTQO-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC12CCC2)C1CCCC1	2047942366	JTZOASMDNIOCBQ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048467133	KFNHXPRIBJWCMA-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)[C@@]1(C)C=CCCC1	2050007524	QIAWJPAYZJTHFW-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC=C(C)[C@@H](NCC)c1ccc(C(C)(C)C)cc1	2056783012	QWFNSXARZUGYDY-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2059198098	KRRGCYDWQQOCPT-ARFHVFGLSA-N	248.410	4.908	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H]1CCCCC12CCC2	2059220994	HPPBHNNXLNQPOV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(N)(C[C@@H]2CC23CCCCC3)C1	2059495708	QHPKULUMIIEZNR-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc([C@@H](O)CC2=CCC(C)(C)CC2)c1	2061091794	LJMIVWQECUPSFN-INIZCTEOSA-N	244.378	4.555	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C[C@@]12CCC[C@@H]1C2	2061614146	CLLGBQJXGJPKGJ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)CC1CC(=C2CC2)C1	2061699275	KVXJQKVPZHWKMT-HNNXBMFYSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCCC[C@@H]1C[C@@H]1C	2062618223	DLORSWXPJZIWGY-GOEBONIOSA-N	246.394	4.933	0	10	BJAE	
CN[C@H](CC1CCCC1)CC12CCC(CC1)CC2	2065305092	HHNHFIPZCHTHLH-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068699239	PQNJLIRAJIRREF-PHZGNYQRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068704708	QZWNJWWYMKQSMX-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H](C)C[C@H]1CCCc2ccccc2C1=O	2068991016	JWZPNNNFEPLWNQ-DZGCQCFKSA-N	244.378	4.504	0	10	BJAE	
CCCC1(C[C@@H]2CCC3(CCNCC3)C2)CCC1	2069341963	KGWDHRZNWDCEQE-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H](C)C2CC=CC2)cc1	2070795068	LFPGYZFBFDBVRJ-UONOGXRCSA-N	243.394	4.967	0	10	BJAE	
CN[C@H](C[C@]12CCC[C@H]1C2)C1CCCCCCC1	2070962503	JXGGPMHWVKOSJB-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1(C(C)(C)C)CCC1)c1ccc(N)cc1	2071946251	NVWUHEOLLYYLEP-ZDUSSCGKSA-N	245.410	4.979	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1CC(C2CCC2)C1	2072417182	MKVSNYIEIHIPPF-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1cc(C)ccc1C	2072417204	MSIFKNYIWQMQQU-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CCCC[C@H](CC)NCCCCc1ccccc1	2073291069	WGJFWKQXFOYBTR-KRWDZBQOSA-N	247.426	4.568	0	10	BJAE	
CCCCC[C@](O)(CC)Cc1c(C)cccc1C	2073343789	ZGPKRGZRYUZNJF-QGZVFWFLSA-N	248.410	4.567	0	10	BJAE	
CCCNC[C@@]1(CC2(CCC)CC2)CC=CCC1	2074625510	BJAFVQPIRKYDDL-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](C)[C@H](C)N1CCCC[C@H]1c1ccc(C)o1	2075203300	NYMGDGFMZCPHLJ-QEJZJMRPSA-N	249.398	4.550	0	10	BJAE	
CN([C@H]1C=CCCCC1)[C@@H]1CCC12CCCCC2	2075408559	QXNSUOIAFHMAQQ-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1C[C@@H]1C(C)(C)C	2079619996	OHFCWHFBHPLRFO-ZFWWWQNUSA-N	245.410	4.904	0	10	BJAE	
CCC[C@H]1C[C@H]1CC1(N)CCC(C2CCC2)CC1	2079870996	PUVSQETZSCRGCS-YZUHTNEWSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(-c2cc(Cl)cs2)c1F	2080282716	STEZZDLJHXLXJZ-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CC2(C)CCCC2)c1	2082958966	HQUOMYLLMFQSSD-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CCC3(CC2)C[C@H]3N)C1	2082976518	RFRPWMHKSPRKFJ-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CC(=O)CC(C)(C)CC1C[C@H]2CCC[C@H](C1)C2	2213296642	ADFHPNVBJWTADT-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC(O)(CC)CC[C@H]1C[C@H]2CCC[C@H](C2)C1	2213298735	GJPFINMZVZNJJK-QDMKHBRRSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(CCCCCCC1CC1)CC1CC1	2213576637	SHOYNIZZFCOOSH-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](CCCCC1CC1)NC	2214572299	CBROVIXGZSBUIK-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1ccc2sccc2c1	2215311441	LHIVRCJXTPYBRQ-VXGBXAGGSA-N	245.391	4.749	0	10	BJAE	
CCC[C@@H](CNC1CCC1)C[C@@H](C)CC(C)C	2217126166	SUGIDYSDMXHHTM-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@H](CN[C@H](C)CC)CC(C)C	2217137287	BCQQUURTVQXWOB-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218333756	LOGIHHXNWZPANQ-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1C[C@@H]1C1CCCC1	2218728754	XJGKLNVPRGDQQI-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NC1CCC(C2CC2)CC1	2218897483	WSDHTSRPALIOHK-YJNKEBTESA-N	249.442	4.514	0	10	BJAE	
CO[C@@H](C)c1ccc(C[C@H]2C=CCCCC2)cc1	2219440089	HCVAHGKOMFZLGE-GJZGRUSLSA-N	244.378	4.683	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@@]1(N)CCCCC12CCCCC2	2220853168	QEEKPQAWWWHFLH-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)c2c(C)cc(C)cc2C)C1	2221934516	AUUUTFQZRPGQTK-HUUCEWRRSA-N	244.378	4.621	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](N[C@@H]2CCC23CCC3)C1	2222255245	FNXZDXASGWSJSD-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	2222932387	DYMWEDDEWZLLAS-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCCCCC1CC1)[C@]12CC[C@@H]1C2	2223133926	BDKWDFMORYYPNJ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(Cl)cc1F	2244803304	YHLAGOPSOAOLMF-JTQLQIEISA-N	243.753	4.717	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCC[C@H](O)C(C)(C)C)C1	2246681416	VPIRVODQUFVIKJ-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)CC1CCCC1	2247116378	ZFCWIVRYITZHQJ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@](C)(N)C1CCCCC1	2247175239	IRWWONZJSLAABQ-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cccc(C(C)C)c1	2250356475	QMRDSWLSLSYYCT-XJKSGUPXSA-N	234.383	4.670	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1ccc(C(C)C)cc1	2250361269	LCQKRIDKUFJOMT-CJNGLKHVSA-N	234.383	4.670	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1CC(CC)C1)NCC	2250367923	BEZJAAUMRITVFE-FJBKBRRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(N)C(C)(C)C	2250473569	FIMWNAHJCOBPSG-GDBMZVCRSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](O)CCC1CC1	2250474417	HPACKRVQJQUYHH-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@]12CCC[C@H]1CC2	2251164820	ZHLLLZFBBVGESG-XJKSGUPXSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251714734	YVUCJCBAPCOLDV-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C1CCC1)[C@H](N)CC[C@H]1CCCCC12CC2	2253866439	QYYIZXUSSJUMGB-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CCC1CC1)CC[C@H]1CCCCC12CC2	2253869096	VFHWDAFKXDVQCK-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2C(=O)C[C@H]3CC[C@H]2C3)C1	2253966340	URUQCELOIOBWSN-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC[C@@H](C)C1)C1CC=CC1	2254018694	FIJDIBWELXIKFM-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@]1(CCCC[C@H]2C[C@@H]2C)CC=CCC1	2254581025	FQMWWWRUUDHPAI-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1C[C@H]2CC[C@H](C1)C2	2254582091	QZARHCCPJDPCPT-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCCC12CC2)CC1CCCC1	2255292249	WASUBGOCGGCEBI-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@H]1CC[C@@H](C(C)C)C1	2256147744	TXPLXDHIOTZNNU-KGLIPLIRSA-N	249.373	4.625	0	10	BJAE	
CNC[C@]1(CCCCC[C@H]2C[C@H]2C)CC=CCC1	2257279754	DBXSZTCKSOBSFZ-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@]12CCCC[C@H]1C2	2257285945	ZOXURNBAEQUVNR-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1(N)CC(C2CCC2)C1	2257311123	KXBQCJJOFVVDST-XNGJBWTFSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(CNc2cccc(C(C)(C)C)c2)C1	2257906625	WEUGVJGTZGQTTQ-UHFFFAOYSA-N	245.410	4.832	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)c1cc(C)c(C)cc1C	2259440800	IEHZIJVYQQPBMW-DOTOQJQBSA-N	247.426	4.699	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@]12CCC[C@H]1CC2	2260505117	YDKIBKUBTPZFLC-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)C[C@@]23CCCC[C@H]2CC3)C1	2260669927	JDQUUCRUOPMYFC-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C1CC(C)(C)C1	2300679655	VSJGTLDCWPVKAG-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H]1CC(C)(C)CC[C@@H]1NC	2300685381	DVKANWNCOBWRSD-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@H](O)[C@H]1CCC[C@@H](CC)CC1	2300875347	UINUNVOCVZAKHG-PMPSAXMXSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](C)C[C@@H](C)CC=C(C)CCCC(C)C	2300881256	RFOACCJEHXINKD-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CN[C@@H]1CCCC[C@H](CC2CCCCCC2)C1	2301142566	KKXWPSUGEBTXHW-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
C[C@@](N)(CC1CCCCCC1)C1CCCCC1	2301144401	DEPZYLQAJGCMBI-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@]1(C)CCCN([C@@H](C)[C@H](C)C(C)C)CC1	2301970410	GFVHINZXGPDNEH-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
CC=CCCCN(C)CCCC1=CCCCC1	2302349456	PSOABECPICWXKL-UHFFFAOYSA-N	235.415	4.555	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CCCC1=CCCCC1	2302356309	LZHJGEOGIIWVSB-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)CCCCC2CC2)C1	2302570540	ZVKGWOVBQMMNQV-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)C2CCCCCC2)C1	2302747294	BXPPIRPYSZXQMD-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)C[C@@H]1CCC(C)(C)C1	2302751004	NWHVDCSWRPMWMM-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@H]1CC[C@H]1C(C)(C)C	2303506659	USIXMGBDQVSITI-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1(CC2CCC2)CC1	2307819058	ICAXYHXDUFZVIS-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCC[C@@H]1C1CC1	2307833059	YKLRMBSXFKYESR-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@@]12CCCC[C@@H]1C2	2311144388	HUKXOALAWUPVFN-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2	2312899819	NXEOFULVQATUPL-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2C[C@@H]3CC[C@H]2C3)c1	2313071784	FUVYFZSNZVSDMQ-WWGRRREGSA-N	243.394	4.585	0	10	BJAE	
C[C@H](CC1CCC1)N1CCCC2(CCCC2)CC1	2313598948	ICLABQKGIBOINQ-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCCC1CC(N)(C(CC2CC2)CC2CC2)C1	2313606331	PEWRIZCAYGVVMG-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(O)c1ccccc1C(C)C	2315898799	RXHAAAZBXUZDRG-KRWDZBQOSA-N	248.410	4.844	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316753111	UYMVAMDQPMVQMR-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2C[C@H]3C=C[C@H]2CCC3)CC1	2317143833	SDKVGQHTTZWCET-KFWWJZLASA-N	246.394	4.518	0	10	BJAE	
C[C@H]1CC=CC[C@]1(CO)CCCC1=CCCCC1	2318538785	MZEBUIIIMNDNKN-DOTOQJQBSA-N	248.410	4.622	0	10	BJAE	
C[C@@H]1CCC[C@H]1CN(C)CCCC1=CCCCC1	2318581218	UIDBISHYULAARV-WBVHZDCISA-N	249.442	4.635	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1CC[C@@H]1C1CC1)NCC	2319587162	GAOREYRZKOPUAU-WVVOIENYSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(NC[C@@H]2CC[C@@H]2C(C)(C)C)CC1	2320245946	FIIFDPRCXLRNHR-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](C)[C@@H](C)CNC2CC2)CC1	2320333174	DWEQOMUIFZNMRY-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@@H]1CCC(C)=C(C)C1)C1CCCCC1	2320406940	UZYPCNDOYQVKDT-SJORKVTESA-N	249.442	4.824	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)C1(CC)CC1	2320411577	FGPKIXUFDOCPPD-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(C2CCCCC2)cc1	2517037	KXSYMLMTVWUDDP-UHFFFAOYSA-N	202.341	4.858	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccc(C(C)(C)C)cc1	21786353	FRDALDFECWRODC-OLZOCXBDSA-N	233.399	4.831	0	10	BJAE	
CCC[C@H](NCC)c1ccc([C@@H](C)CC)cc1	35544098	KEBUTLRADAAWMU-BBRMVZONSA-N	233.399	4.651	0	10	BJAE	
Cc1cc(C(=O)CCC(C)C)c(C)cc1Cl	70023493	MNXNUXAARDHTKP-UHFFFAOYSA-N	238.758	4.576	0	10	BJAE	
CN[C@H](c1ccc(C(C)(C)C)cc1)[C@@H](C)C(C)C	70123080	SJLRZOOHTLEEIR-BBRMVZONSA-N	247.426	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cc(C)ccc2F)C1	71107663	WZTGACPYMUNIRC-OLZOCXBDSA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(O)CCC(C)(C)CC2)C1	79657313	CZUARNLERDPWHX-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C)CC2)c(F)c1	86880618	ZEHPKXQEVGCSIU-DGCLKSJQSA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCc2ccccc2)CC1	86922016	ZEECWETZYCYNCD-WBVHZDCISA-N	245.410	4.525	0	10	BJAE	
CCCCCC[C@@H](C)[C@@H](C)CNC(C)(C)C	87953611	SGHHDGXXDPZXMJ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC1CCC([C@@H]2C[C@@H](CC)CCC2=O)CC1	93122796	WKPKQZPITYGJNP-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
Cc1ccc2[nH]c(=S)n([C@@H](C)CC(C)C)c2c1	94659972	HMSVXHSRQMBRNT-NSHDSACASA-N	248.395	4.614	0	10	BJAE	
CCCCc1ccc(-c2ccc(N)cc2C)cc1	109774311	MAAANOWPCDAIAG-UHFFFAOYSA-N	239.362	4.587	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)CCC(C)C)cc1	109785550	QQDMBTMYOSXGDX-BBRMVZONSA-N	234.383	4.670	0	10	BJAE	
C[C@H](CC(=O)c1cc2ccccc2o1)C(C)(C)C	125329984	JMKLUBNJVZYYQQ-LLVKDONJSA-N	244.334	4.688	0	10	BJAE	
CCCCC[C@H](N)c1cccc(Cl)c1Cl	125439107	JGUCEAXFCNRTAU-NSHDSACASA-N	246.181	4.574	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H](C)CCCC(C)C	128600392	ZUXAANIFZIXNKT-RDJZCZTQSA-N	247.426	4.800	0	10	BJAE	
CCC[C@@H](C)C(=O)c1cccc(C2CCC2)c1	128740694	ZWTLOIAFONJEMZ-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CC(C)c1cnc(C2CCCCCC2)s1	132170135	OBUZGJVZYQDYBB-UHFFFAOYSA-N	223.385	4.704	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCCCC(C)C)CC1	134295123	HGSRHARNFKBVRQ-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](C)Nc1c(C)cccc1F	135236797	SHWYRRKWMCZISP-LBPRGKRZSA-N	223.335	4.515	0	10	BJAE	
CCC[C@H](C)CC(O)(CC(C)C)CC(C)C	163722843	GWBVVEINRNYYSV-AWEZNQCLSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H](C)[C@@H](C(=O)C1CCCC1)c1ccccc1	164039061	KGNXHSPKXGVYGC-CZUORRHYSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1(CC)CCCC1	165772161	ZGDCCEHCNQGACA-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CCCC(C)C)c1ccc(CC)cc1	165806922	GXYLUKGIIABREZ-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CC[C@H](C)C[C@H](O)c1c(C)ccc2ccccc12	167655253	IGKKTCSPQRJRBU-LRDDRELGSA-N	242.362	4.618	0	10	BJAE	
CC1(C)CCC([C@H](O)C2CCCCCC2)CC1	167707850	WOOCUBXZGAGHGJ-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCCC2CCCC2)C1	225051944	GPGTZRYFYKBXCY-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CCC)NC1CCCCCC1	225976235	YBZMSZHKHCEYNE-AWEZNQCLSA-N	225.420	4.658	0	10	BJAE	
Cc1cc([C@H](O)C[C@H](C)CC(C)(C)C)cs1	228754409	XHNFNZSMOSYXPC-GXFFZTMASA-N	240.412	4.552	0	10	BJAE	
CCC[C@H](CC)Nc1cccc2c(O)cccc12	233349239	CFBVLQLWWPOSDQ-LBPRGKRZSA-N	243.350	4.536	0	10	BJAE	
CCC[C@](O)(C1=CCCCCC1)c1ccccc1	233362348	WLENSGSXRUHLSG-KRWDZBQOSA-N	244.378	4.565	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@H]1C(C)(C)C)C(C)(C)C	252903341	OIZOEIMASGIBTL-BFHYXJOUSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)c1csc(C)c1	300841660	JVSFVOPIVQMJQM-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@H]1CCC[C@@H](C)C1	302375757	MGKIINUXDLDQNS-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]1CCCC[C@@H]1CCC1CCCCC1	305895083	DDGNGJHTWCQLCS-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@H](O)CCCC(C)(C)C)c1ccccc1	305918868	LINAJEXDUHCIGH-GDBMZVCRSA-N	248.410	4.758	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1/C=C/CCCCC1	305949670	HFPPJNMNSUUURG-NEXMIYJRSA-N	249.785	4.949	0	10	BJAE	
Cc1cc2c(C(F)F)ccc(Cl)c2s1	306612907	NGHJNUYECGIMCE-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CSc1cc2sc(Cl)cc2cc1S	307288195	BCPSVQXGWIZLNT-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)c1sccc1C	307998752	NFYFVUFOYSEGJT-QWHCGFSZSA-N	240.412	4.552	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)CCC1CCCCC1	308037681	WGBRQTGRWOAYOY-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(C(=O)[C@H](C)CC(C)C)cc1Cl	309154351	WZVOJKRZUAILAJ-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
CCC(C)(C)[C@H](CC1CCC(C)(C)CC1)NC	310197115	ZZXCRGOHGIHBKS-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C(C)(C)C(C)(C)C	310573498	OTIQSBWOYOBIKR-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc([C@@H](N)CC2CCC(C)CC2)c1C	311057957	YKVPDGATWLMHFX-QOJXUVEWSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H](Nc1cccc(F)c1)C1CCCC1	313401318	UUHRFCJDPAQRRK-HNNXBMFYSA-N	235.346	4.597	0	10	BJAE	
CCCN[C@@H]([C@H](C)C(C)C)C1(CC)CCCC1	319585410	JLWIAODPWCTJDR-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)CC1CCC(C)(C)CC1	379761086	DPEUCYVJPJEYTA-ZFWWWQNUSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](C)[C@H](CC)C[C@@H](C)C1CCCCC1	379967576	GDITVFQHFRSADF-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@@H](CCC(C)C)C2CC2)c(F)c1	380958259	AQYXXLVIYYELSP-HNNXBMFYSA-N	249.373	4.761	0	10	BJAE	
CCN[C@H](C[C@@H](C)c1ccccc1)C(CC)CC	385102766	HYDAVMGOFRMWGV-RHSMWYFYSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@@H](C)c2ccccc2)C1	385179087	OZWNYWGOZOIXCF-IIAWOOMASA-N	244.378	4.576	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1CC12CCCCC2	387097847	GSOFUHNNUOQKEY-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1ccccc1C(C)C	393857326	VUCHHKACCDZZJC-CZUORRHYSA-N	233.399	4.507	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccc(C(F)F)cc2)C1	395288784	LZQVTYBMYHXFIZ-GXFFZTMASA-N	239.309	4.615	0	10	BJAE	
CCc1cc2cc(C)c(C(F)(F)F)cc2s1	396293898	BDDXTQHDGCCMFW-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC=CCC1)C1(CCC)CC1	402374266	UJFHILPMSNXECO-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)Oc1cccc(N[C@H](C)C(C)(C)C)c1	687694107	CYPKBYCULQYDJW-CHWSQXEVSA-N	249.398	4.710	0	10	BJAE	
CCC[C@]1(CCCC2CCC2)CCCCCN1	688357593	URQBZJQGPQKHSV-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
Clc1cccc2ccn(CCCC3CCC3)c12	688857223	OQXVKYVSQDZRMR-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)c1cccc(C(C)C)c1	688919607	DKPHESCCCIFBLT-RDJZCZTQSA-N	245.410	4.564	0	10	BJAE	
Cc1ccc(N[C@@H](C)CC2CCCCC2)cc1F	689722814	XUCCWAUQWPOZGF-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CC(C)CC(C)(C)CN[C@H](C)CC1CCCC1	689785634	SGKBWDLSTKHESW-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
FCCCCCNc1cccc(C2CCC2)c1	690134831	NQLCNWXVNOSHPX-UHFFFAOYSA-N	235.346	4.506	0	10	BJAE	
NC1(CC/C=C/c2ccccc2)CCCCCC1	690373345	BHMLAONWAQQKJM-WUXMJOGZSA-N	243.394	4.532	0	10	BJAE	
CC(NCCC1CCCCCC1)(C1CC1)C1CC1	691835587	GJUQQGOYOITQOF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)[C@H](C)C(C)C	696548452	BNGVGUPRFJNCQM-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCC(CCC)C(=O)CCC(C)(C)CC	696660495	AABNVOLVYRVWOI-UHFFFAOYSA-N	226.404	4.988	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC(C)(C)CC	697257759	GCTPDEDKAFVWRJ-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@H]1CCC[C@@H](C)C1	700865940	BNOFBNKAUZXHGO-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]([C@H]1CCC[C@H](C)C1)C(C)(CC)CC	701132320	SYTYFRUPTBLRET-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)[C@]23CCCC[C@@H]2C3)C1	709151702	NHXRAPPDKIDJNI-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@H](CC(C)(C)C)c1ccc(C)cc1	713138358	FAFVFDBBRZCWCL-INIZCTEOSA-N	247.426	4.514	0	10	BJAE	
CC(C)(C)C[C@@]1(O)CCC[C@H](C(C)(C)C)CC1	713192224	ZBHUIIQUNMVABP-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](CC)(CNC)CC(C)(C)C(C)C	713221871	MPRZZGOCYJWBJO-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCCNC[C@@]1(CC(C)(C)CC)CCC[C@@H]1C	713338351	IVLULJQJHJHNLK-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C=C/C=C/CC[C@]1(O)CCC[C@H](CCC)CC1	713748005	JTWRNJHHOURPOL-DKLOGILVSA-N	236.399	4.620	0	10	BJAE	
CC/C=C/C[C@H](C)c1ccc(C)cc1F	714522083	MZFDKAANCPRRGX-FYJFLYSWSA-N	206.304	4.594	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@@H]1CCC12CCCC2	717502220	NGCKJFCCPOQINT-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@]12CCC[C@H]1C2	718539756	LWRZJRWIRHEUJH-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)CC1=CCCCC1	718649262	CVKKTUSMEXXMCA-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CCC[C@@](O)(CCC(C)=C(C)C)C1CCCC1	718702791	WFSMLSTVJIUVDG-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H]1CCCCCC1(C)C	719286882	MVEZZJDUQIUQPP-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@H]3C=C[C@H]2C3)cc1	829367859	KWBGMAAHIVLIGI-GZIXRCOHSA-N	241.378	4.577	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@H]1CCC[C@@H](C)C1	1621346295	UTIUDCGATLMBMF-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC2(CC3CC3)CC2)CC1	1663164875	IEQIQEKNTFHVNZ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cc(C)sc1C	1900703227	RHACHLVKDHQDSW-CQSZACIVSA-N	239.428	4.581	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CCCC[C@@H]1CC	1900840458	NESCCZYODYLEQK-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2CC[C@H](C)CC2)CCC1	1909703459	PDKIRSKHVSJBIP-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@@H]1CCCC1(C)C	1911994581	QAVVKXFDALAZAI-JKSUJKDBSA-N	249.442	4.703	0	10	BJAE	
C=CC=CCC[C@@H]1CCCC[C@H]1CNC(C)(C)C	1912013583	GGMTYMXLKWDZTQ-CVEARBPZSA-N	249.442	4.703	0	10	BJAE	
CC(C)CCC[C@H](O)CCC=Cc1ccccc1	1912014522	XSAIAFTZOSMOCK-QGZVFWFLSA-N	246.394	4.667	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H]1CCC[C@H](CC)C1	1912110443	DISXLCYOGGMZFK-BBWFWOEESA-N	249.442	4.703	0	10	BJAE	
CCCCC[C@@H]1CCCCCCCC[C@H]1NC	1913391816	KRPXJWYUXRYZAC-HZPDHXFCSA-N	239.447	4.905	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CCC2(CCCCC2)C1	1915883848	FQOGSWOGZPHAHL-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCNC[C@@]1(C[C@H](C)C2CCCCC2)C=CCC1	1916354025	VQGJBHFQJGUIHQ-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@](C)(CNCCC)C1CCCC1	1924094253	VCJAJXYLSMOSQL-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)[C@@H](C)C1CCCCC1	1924132235	XSVOOMFNKCPRDP-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)C1(C)CCCCC1	1925889570	BKNMSBKUTGKSEQ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccc(C2CCC2)cc1	1926380037	OUUGTZJDHQRGMZ-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
C[C@@H](CC[C@H]1C=CCC1)C1CCCCC1	1932597038	YVJBYGFMKGOFSN-KBPBESRZSA-N	206.373	4.949	0	10	BJAE	
CCC1(C(=O)[C@H](C)CCC(C)C)CCCC1	1937171025	YBLGBAVOQOQDOK-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC[C@](N)(CC1(C)CCCCC1)C1CCCC1	1940411388	YGCFBDHHBPYMQQ-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCCC1(C)CC1	1940872789	AKVYRJGHORGBHO-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CCC[C@@H]1CC1(C)C	1940879361	YVWPLJIKGFVVDF-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CCC[C@H]1CC1(C)C)c1cccc(N)c1	1940971157	OWRFNGFIXVBGGI-JSGCOSHPSA-N	231.383	4.589	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1ccccc1C(C)C	1941252190	OQVBGGVCINCNQT-CZUORRHYSA-N	234.383	4.526	0	10	BJAE	
CC(C)CC(O)(CCCC1CCC1)CC(C)C	1941470012	KPKXUICPBRRFSH-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)[C@H](C)CCC(C)C)C1	1942652898	LVBCLMLUXNNDEH-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H]([C@@H](CC)C(C)C)[C@H](C)CCC(C)C	1942655070	GBJRVYWLFOSEPK-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CCC(C)C)C(C)C	1942656107	AFXVEECQOPYWPB-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)C[C@H](O)[C@@]12CCCC[C@H]1CCC2	1944138758	CMBSJIXWUMTQMN-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H]([C@H]1CCC(C)(C)C1)C(C)(CC)CC	1945596595	GTXDPRVRJNNGCM-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N[C@@H]1CCCCCCCC1(F)F	1947371418	JDQOBFYTWQCSGJ-CYBMUJFWSA-N	247.373	4.513	0	10	BJAE	
CC1(C)CC[C@H]1C1(N)CCCCCCCCC1	1949067515	DTPRPYHVVWQUSN-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(CC)C1(N)CCC(C2CCC2)CC1	1949087567	CDZMXLYTQDCZIH-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@H]2CCCCC2(C)C)C1	1949495076	DBDPQLDJZTVIKA-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C[C@@H]1CCC2(CCCC2)C1)NCC	1949551309	JJHIMBUMPLBBRH-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(CNc2cccc(C)c2C)CC1	1968250802	UBEYKAVXYZZVTI-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
Cc1ccc(F)cc1NCC1C[C@@H](C)C[C@H](C)C1	1968313266	ZNCQACSHPHZXHV-RYUDHWBXSA-N	249.373	4.618	0	10	BJAE	
Cc1cc(F)cc(NCC2C[C@H](C)C[C@@H](C)C2)c1	1968594648	GIFTUJZJUZFBSV-VXGBXAGGSA-N	249.373	4.618	0	10	BJAE	
CCN(CCC1CCCCC1)c1ccc(F)cc1	1970499891	LMRKAXVNMSNHHL-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@H]2C(C)C)cc1C	1972020637	IATZFCAEUQVOPU-IRXDYDNUSA-N	245.410	4.794	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1Nc1cccc(C2CC2)c1	1972458777	FQSWOMKAOWRHMH-DLBZAZTESA-N	243.394	4.801	0	10	BJAE	
C[C@H]1CCC[C@@H](c2csc(C(C)(C)C)n2)C1	1980284754	AZDLIBMXKSPRRV-WDEREUQCSA-N	237.412	4.734	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)C(C)C)CC1	1980314556	LTCAUDHCUKYVNZ-HDJSIYSDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC(=O)C(C)C)CC1	1989837926	ZQFAPQTWQRLFNI-HDJSIYSDSA-N	224.388	4.598	0	10	BJAE	
CCCCCNc1ccccc1C1CCC1	1992087734	GKCGOCUGYHOBNT-UHFFFAOYSA-N	217.356	4.556	0	10	BJAE	
CC1CCC([C@](C)(N)CC(C)(C)C(C)C)CC1	1996585735	KDJDILDMILMICM-ZBCRRDGASA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H](C)C(C)(C)C)CC1	1997100974	UTNPTTXGNGHGNO-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@@H]1C=CCCC1	1998377989	PZJJCJRUBROEKE-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H]1CCC=CCCC1	2000002557	YWZVUACSOCJZDM-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)[C@H]1CCCC(C)(C)C1	2000143460	NTKJXBWBFZQECK-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1(C(C)C)CCC1	2000197157	UCMOHULHJHVPKI-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](C)CC1(N)CC2(CCCCCC2)C1	2000671365	XGMFRTNWBYZGKF-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@@H]1CC12CCCCC2	2001222722	ZJOSREIOTOSTFO-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)[C@H]2CC[C@H](C)CC2)C1	2003067040	MBSCDKJLPMBYDO-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]([C@H]1CC[C@H](C)CC1)[C@@H](C)CCC	2003067488	UDHIQZKNTCWHAD-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C[C@@H]1CCCCCCCC1=O)C(F)F	2003074762	NXKMABOMGLBJGN-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@H]1CCC2(CC2)C1	2003219534	ZNLTYTSIKSHLRA-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@]2(C)C=CCCC2)C1	2003319724	BYAYZZAUUBKXAN-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@@H](C)C1CCCCC1	2004227750	AAZDCWXDUUIJJH-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC1(CC)CCC(N)(CC2(C)CCC2)CC1	2004341149	HOKJUXHBAAVQHR-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCC1(C)CCC(N)([C@H]2CCCC[C@@H]2C)CC1	2004342124	PPTNRCRIZSDWKB-FXQLRMTLSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@@H](CC)C1CCCC1	2004717020	DPJDVXHHYKFWEX-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC1CC(CC(=O)[C@H]2CCC[C@H](CC)C2)C1	2007769466	PDPXGTCBRCQPBY-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CCC1(C)CC(N(C)C[C@H](C)CC(C)(C)C)C1	2009317420	RWANKMFBBDFMQR-VQCLRJIVSA-N	239.447	4.569	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H]1CCCC(C)(C)C1	2009591048	IIWAHOIVJXPXLA-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCc1ccc([C@@H]2CC2(F)F)cc1	2009593546	BORLMIPZMSGDHG-HSWBROFVSA-N	236.305	4.708	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)CCC(C)(C)C)CC1	2010715012	JVVXZROHSKXQEL-ZFWWWQNUSA-N	237.431	4.523	0	10	BJAE	
C=C=CCC[C@H](NCCC)c1cc(C)c(C)s1	2010976951	OOKVNUSMRIMSLJ-AWEZNQCLSA-N	249.423	4.527	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC1(C)CCCCC1	2013271828	WAVJBNFDCCVCHM-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@H]1CCC[C@@H](C)C1	2013274792	UKMFZWTWSHLVNB-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)C1(CC)CCC1	2015274114	WWDJQBHAZZMIIO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1([C@H](O)C[C@@H](C)C(C)C)CCCC1	2015278449	OHOMKGPYCYMGQT-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C[C@@](C)(O)C1(C)CCCC1)C(C)C	2015291348	RIYBJIQGXRTFPS-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@@H](N)CCC1(C)CC1)C(C)C	2015358984	BYTWGUKNMMWIKH-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CSc2ccc(C)cc2N)CCC1	2015642518	RALNEHYZOQJRPB-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCCC[C@H](CC)NCC1(CC2CC2)CCC1	2015743042	JCUKFFOSQFLIEU-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1(CC2CC2)CCC1	2015759738	AJZBEKJDCSOHJL-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C1CC(C(C)(C)C)C1	2016117433	OIHAVGZMGSFBPD-ZBCRRDGASA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CC1(C(C)(C)C)CCC1	2017126033	VRJQABPOSQDYEE-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CC2(C(C)C)CCC2)C1	2017129586	QJWFFNDEFIMJNE-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CC1(C(C)(C)C)CCC1	2017137927	DJQLHCXAAZKEKD-HNNXBMFYSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)CCCC(C)C)CC1	2017656316	VXHFTEDJBFDDBU-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)CCC2CCC2)CC1	2017657494	FYZAYYDKUWISRL-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCNC[C@](C)(CC)C[C@H]1CC[C@H](CC)CC1	2017722304	FHBLTDFLSUJSRD-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1C=CCCCCC1	2018079994	CEVCROFJFYBJAI-HZPDHXFCSA-N	237.431	4.824	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1C[C@@H]2CCC[C@@H]2C1	2018131394	SMMBKMFWKJHBEC-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CSc1cccc(NC[C@H]2C[C@@H]2C(C)(C)C)c1	2022477216	JBQLWNUJYARSHE-RISCZKNCSA-N	249.423	4.503	0	10	BJAE	
CC(C)[C@H]1C[C@H]1COc1cccc2sccc12	2022546123	DTGDOIMTNUSCRF-WCQYABFASA-N	246.375	4.572	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC1(N)CCCCCCCC1	2022562903	MNMBGYFKPPGXDT-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C=C1CCC1)c1cc(C)sc1C	2022675950	OYFRGDBNNSZOBJ-OAHLLOKOSA-N	249.423	4.516	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCCCC(C)(F)F	2023289401	DQIKTFNOTDKHGU-CHWSQXEVSA-N	249.389	4.602	0	10	BJAE	
CC[C@@H]1CC[C@](N)(C[C@@H]2CCCC(C)(C)C2)C1	2024096496	VGCKNJREYFMFCU-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2CCC2(C)C)C1	2024102864	WPOPBIVFKLBEAZ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(C[C@@H](N)CCCCCC(C)C)C1	2025435112	IBEZPBOBZNUROR-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H]1CC[C@H](CC)CC1	2027030452	VMJWWZDJXYGWPS-ULQDDVLXSA-N	249.442	4.703	0	10	BJAE	
C[C@@H](CC1(C)CCCCC1)[C@H](O)c1ccccc1	2027316901	OGNXMPZCYMYAGB-HOCLYGCPSA-N	246.394	4.717	0	10	BJAE	
CCCC(O)(CCC)Cc1ccccc1C(C)C	2027463694	SDPJWDOSAJFGBN-UHFFFAOYSA-N	248.410	4.684	0	10	BJAE	
CC1(CCC[C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1	2027831237	GROBEMVBXISQFS-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1ccccc1C1(C)CC1	2028553318	XYCYLAWSLOVBML-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)c1ccc(C2CC2)cc1	2028590380	JENHOQJMVPDZOP-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
c1ccc2c(c1)C[C@H](CCCCCC1CC1)CN2	2028632470	ZQJHVQVMVWKRNS-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C1(C(C)C)CC1	2028876116	VQOFSTTYRJACPF-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CC(=O)CC1CCCC1	2029174531	PUZAUPZOYWXLMJ-DZKIICNBSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(O)[C@@H](C)CCC(C)C)c1	2029835115	CYOTZSUWMANQMO-RDJZCZTQSA-N	248.410	4.583	0	10	BJAE	
Cc1ccccc1[C@@H](N)C(C)(C)C1CCCCC1	2032338343	FTVVIDMVHNOIEV-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CC1(C)[C@H]2C[C@H](C(=O)CCCCCC3CC3)C[C@H]21	2032585795	CLSXMQFWNLVJKS-QKDCVEJESA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)CC1[C@@H]2CCC[C@@H]12	2032826536	XZHHWHBIUUFUSL-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CCCCCC2CC2)CC[C@H]2CCCC[C@@H]21	2034260468	UWYYMCMKJWMTTK-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CCC[C@H](F)C2)c1	2034874408	OPMRKZJEYGINNE-CABCVRRESA-N	248.341	4.521	0	10	BJAE	
CC(C)(C)C1CCC(N)(C[C@H]2C=CCCC2)CC1	2035594567	WACOATHZODRBJA-UQPPLGOBSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)C[C@@H]1C=CCCC1	2035602476	WEKIZLFTOPPXTN-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
NC1(CCC2=CCCCC2)C[C@H]2CCCC[C@@H]2C1	2037173446	JFTBXTOKCSMRNG-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
Cc1cc(C)c([C@H](N)[C@@H](C)CCC(C)C)cc1C	2037207105	MWMFICHPEUOVLK-YVEFUNNKSA-N	247.426	4.684	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1CC[C@H]1CC1(C)C	2037220452	JUNACRFHKRDNDK-HZSPNIEDSA-N	243.394	4.658	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@]2(N)C=CCCC2(C)C)C1	2037858680	AVLYIYORWJHRNP-WBTNSWJXSA-N	249.442	4.523	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCC[C@H](C)CC2)c(C)c1	2039376382	RKTZNKGBYALLIL-SWLSCSKDSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)C23CCC(CC2)C3)c1	2039859478	LRZYGLCQPWCYTH-UQPPLGOBSA-N	243.394	4.684	0	10	BJAE	
CCNC[C@]1(CCC[C@H]2CC2(C)C)CC=CCC1	2042091800	OTXQSPYUGRQGCP-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)C1(C)CCCCCC1	2045719745	VTPXMFPIDJDJEV-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](C1CC2(CC2)C1)C1(C)CCCCCC1	2045797569	SKDOYIZOEGXYFC-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@H]1CC12CCCCC2	2047008057	LYKDNNNEUOFZOZ-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2CC23CCCC3)CCCCC1	2047054067	AQKHDJVHMNEYIQ-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@H]1[C@H]2CCCCC[C@H]21	2048369556	FRORCKIETCXUOO-HGTKMLMNSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@H](N)[C@H]2CCC3(CCCC3)C2)CCCC1	2049804372	MEOYDXZHIMHRBJ-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](N2CCCC3(CCC3)CC2)C1	2051605130	VHFHGUOSEKPLKQ-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)[C@H]2CCCCC23CC3)C1	2053420834	NIOMZEYDUBXKJT-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
O[C@@]1(C=C2CCCC2)CCCCC12CCCCC2	2056856739	VYZWFALFILFWNW-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@H]1CCCC(C)(C)C1	2056873509	OBMIRCHMUKZEBX-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C1C(C)(C)C1(C)C	2056880135	ZSVMEKWVDATCFN-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C[C@H](C)C2CC2)cc1	2057345915	LCVYMUONTINIPW-GDZNZVCISA-N	246.394	4.670	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CCCCC12CC2	2059261306	CYLYJKKQXWFLHZ-TVKHYIBRSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1([C@@H](N)C2=CC[C@H](C(C)(C)C)CC2)CC1	2061099989	SZKURRCAAFCIPM-GJZGRUSLSA-N	249.442	4.523	0	10	BJAE	
CC(C)NCC1(CC[C@@]23CCC[C@@H]2C3)CCCC1	2061611014	DJVRJTMRRQDAEQ-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)[C@@H](CC1CC(=C2CCC2)C1)NCC	2061721805	BAGJWLIKLXCIOY-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC1C[C@@H]2CCC[C@H]2C1	2063525004	QVOWWNPAGDHWSF-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CCC1(CC)CC(NCC23CCCC2CCC3)C1	2063902585	GJBNBNMYHJSIKI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@H](C)c1ccccc1	2065992557	JRJZUNOQLGWHCJ-DOTOQJQBSA-N	247.426	4.724	0	10	BJAE	
CCC[C@](N)(C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCC1	2068769905	CPZVPYINVAFFLA-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@@H](O)c2cc(C)c(C)cc2C)CCC1	2069284137	HWJCKLDRKIQZGO-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
CCCC1(C[C@H](O)c2ccc(CC)cc2)CCC1	2069340941	ZYTWINYXWKEPJK-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)c1cc(C)c(C)cc1C	2072416252	DDCAORZTSLNLMI-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)c1ccccc1CC(C)C	2072421876	AUVPNUBAKBWGMW-KRWDZBQOSA-N	245.410	4.502	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)C23CCCC2CCC3)CC1	2072805570	DACCCVSMXCLDGT-UWEUSHKOSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@]2(N)C[C@@H]3CCC[C@@H]3C2)CC1	2072805976	HMXGYTAUQQHAQR-NDQLQDMOSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](N)C[C@]23CCCC[C@@H]2C3)CC1	2074030355	SQPORCTZGPEWDP-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCCCC12CCCC2	2074897947	ZGEHISQAUITVCS-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
CCCN(C1CCCCCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1	2076556924	WFRRHTBQNBWCFQ-BFYDXBDKSA-N	249.442	4.610	0	10	BJAE	
CCCCc1ccc([C@@H](N)CCCC2CC2)cc1	2078003024	HZGMUYFVQUXQSI-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2C[C@@H]2C2CCCCCC2)N1	2079670003	KHGTYYWSWBMBES-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
O[C@]1(C2=CCCCCC2)CCC[C@H]2CCCC[C@H]21	2081119944	ZPJYBDXNEMVUQM-OIISXLGYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC1CC(=C2CC2)C1	2081777205	BWITZEDJPKADRY-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2C[C@H]2C2CCCCC2)C1=O	2082843898	QKEXFMBVJBSZEK-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@H]2C[C@H]2C2CCC2)C1	2082981964	HSLLGDAFAXIXPF-SNPRPXQTSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@H]1CCCNC12CCCCC2)C1CCC1	2083814543	RJHWWVZCIRDXGS-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCc1ccccc1Cn1ccc2ccc(C)cc21	2087767199	XNXMPXYVWJFXDH-UHFFFAOYSA-N	249.357	4.560	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C(C)(C)CC	2214576082	AFLSOFNRXPADJK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](c1ccsc1)[C@@]1(C)CC=C(C)CC1	2215816883	KJCQSNOEFOHGSD-CABCVRRESA-N	249.423	4.535	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@@]1(C)CC=C(C)CC1	2215821145	LKMWVPPJYPMCDO-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)C(C)(C)CCC	2216286147	RRDPTYYMEVXZDO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC(C)C)C(C)(C)CCC	2216286530	WAEJMRJHTXJSIA-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)[C@](C)(N)CCCCCCCC1CC1	2216860168	MKLDLYDODNFDNZ-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@](C)(CNC1CCC1)C1CCCC1	2217159077	JVLJCDJANQSIPJ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218373420	JCAXDMUOWSOZPF-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1(C)CC2(CCC2)C1	2221005440	SJLNWEJOCATNOG-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1CC=C(C)CC1	2221655671	VJFMQWFXGNJBNJ-IRXDYDNUSA-N	249.442	4.824	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222955890	XNSVDKCSGYGOFY-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)NC[C@]1(C[C@H]2CC[C@H](C)C2)C=CCC1	2223601678	WWQFAFYFGJLPED-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@H](N)CC[C@H]1CCC[C@H](C)C1	2246697452	XEYUTYJBPXBUKW-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC(=O)CC[C@H]1CCCC12CC2	2247637362	ADVUEYOPWDWERK-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CCCC12CC2)C(C)(C)C	2247666487	SLTYPDJLHMNBJG-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
N[C@@H](CC1=CCCCC1)c1csc(C2CC2)c1	2248045250	UADSXVWSJBSUHZ-AWEZNQCLSA-N	247.407	4.516	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1CC(CC)C1)NCC	2250367922	BEZJAAUMRITVFE-CKUJCDMFSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(-c2nc(C3(C)CCC3)cs2)c1	2252739245	HXLHOQFPAJYHEA-UHFFFAOYSA-N	243.375	4.560	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC[C@@H]1CCC[C@@H](C)C1	2253932749	BWXFYRHMRMUMHG-KMFMINBZSA-N	245.410	4.601	0	10	BJAE	
C[C@@H]1CCC[C@H](CCn2ccc3ccccc32)C1	2253964882	LRKURGRKTGSTRS-HUUCEWRRSA-N	241.378	4.858	0	10	BJAE	
Cc1cccc(F)c1C(=O)CCCC[C@H]1C[C@H]1C	2254517950	ATZCSLBSJNSQCF-OLZOCXBDSA-N	248.341	4.533	0	10	BJAE	
Cc1cccc(C(=O)CCCC[C@@H]2C[C@H]2C)c1C	2254586847	DFOVPUHMWFESKW-UKRRQHHQSA-N	244.378	4.703	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@H]1CCC12CCC2	2254816772	IUAPXMWOYQHZJF-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(NC[C@@H]2CCC23CCC3)cc1	2254955000	QOCGKDJZIXJPES-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
C1=C(Cc2ccc(OC3CCC3)cc2)CCCC1	2255131124	PFZWWYQCAAUEHC-UHFFFAOYSA-N	242.362	4.661	0	10	BJAE	
CC(=CCCCC[C@@H]1C[C@@H]1C)c1cccc(N)c1	2257240921	MEPMTFKRHRBPDR-LSDHHAIUSA-N	243.394	4.889	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC12CCC(CC1)CC2	2257314276	YKXFELZJYZJEMP-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](Nc1cc(C2CC2)ccc1F)[C@@H]1CC1(C)C	2259125322	FJPHLTHUUGINAQ-GWCFXTLKSA-N	247.357	4.550	0	10	BJAE	
CC(C)(C(=O)C[C@]12CCCC[C@@H]1CC2)C1CCC1	2260583880	RMYVGYIPLNVATJ-RHSMWYFYSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCC(=O)Cc1cccc(C(C)(C)C)c1	2261362000	QOAHIKJVYSDSBQ-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CC(=Cc1cccc(C(C)(C)C)c1)CCCCN	2261366938	URWPRKHOTQGSFO-UHFFFAOYSA-N	245.410	4.516	0	10	BJAE	
CCCC[C@@](C)(CC[C@@H]1C[C@@H]1CC)CNCC	2298128453	GPFHMGJCESGDFZ-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)[C@@H]1CCC[C@@H](C)CC1	2298864962	LFSXNNUKOSOQRI-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@@H]1CCCC[C@@H]1C	2300681410	ORBFWCQLTKRIJY-IMJJTQAJSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]1[C@@H](CCC(CC)CC)CCC1(C)C	2300686658	SXSCEGUQEOVZNE-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)[C@@H](C)C(C)C	2300687769	GESWVAZBACRPOR-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
Cc1ccccc1-c1ncc(C2CCCC2)s1	2301268158	LJHIPVXLSFYVGI-UHFFFAOYSA-N	243.375	4.776	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)CC1CCCCCC1	2301706663	HGIKYMCUCQSZEL-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H](O)CCC1CCCCC1	2301832955	OKFORLFRCPWMLK-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@H]2CCCC2(C)C)C1	2302876464	UHPHHAHHSVUUOG-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2(C)CC(C)(C)C2)C1	2302882703	MSJUBZRFEMXGNX-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@@H]1CC[C@@H]1C(C)(C)C	2303431789	NCMBWNCLIOXYIU-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@H]1CC[C@H]1C(C)(C)C	2303503948	QLTDARPZMFFTJI-GBJTYRQASA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@H]1CCC(C)=C(C)C1	2303532781	RYLSTXRCVDKXFM-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](CC)C[C@H](C)C(=O)c1ccccc1	2307801604	OEOIDZZQQBEKSE-KBPBESRZSA-N	232.367	4.722	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](C)CC[C@@H]1NCC	2307897322	ARSCBTFJRQJCFA-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@@H]1C[C@H]1CC(C)C	2308079289	IRPCVOJKMILIFV-BRWVUGGUSA-N	249.442	4.559	0	10	BJAE	
CCCc1ccc(N[C@H]2CCC[C@@H]3CC[C@H]23)cc1	2309518430	VIMIGUFUNNZPFI-PVAVHDDUSA-N	243.394	4.630	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](CC[C@@]23CCC[C@@H]2C3)C1	2310379918	KIJPDOFGBOXNLR-KLZNWCGWSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@@]12CCC[C@@H]1C2)C1(CC)CCCC1	2310881340	PQUDNXBLMULHMO-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCCC1	2311609482	CVNZCQRLYBXFPE-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2313633148	QEKOXJGPMZNVDN-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@@H](F)c1cccc2c1NCC2	2316237587	HALQKJGDWFSLLA-OAHLLOKOSA-N	249.373	4.882	0	10	BJAE	
CC(=CC[C@]1(N)CC=CC[C@@H]1C)CCCC(C)C	2316523406	UECYZIYGRBGMKV-DLBZAZTESA-N	249.442	4.833	0	10	BJAE	
Cc1ccc(NCCCC2=CCCCC2)c(F)c1	2318549822	AKOYFNCUQGPVNS-UHFFFAOYSA-N	247.357	4.827	0	10	BJAE	
CCNC[C@@H]1CCC[C@H]1CCCC1=CCCCC1	2318582704	GTJRFQMDOZYDDJ-SJORKVTESA-N	249.442	4.683	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(O)CCC23CCCC3)CC1	2320338264	UHOLWWSYJLPYTN-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2C[C@@H](C)CC[C@@H]2C)c1	2321083195	OWFBEXORFQNNBC-MQIPJXDCSA-N	249.373	4.625	0	10	BJAE	
CCc1ccccc1NCC[C@@H]1CCC(C)(C)C1	2321599403	JSLJNFKZHUNHPK-AWEZNQCLSA-N	245.410	4.877	0	10	BJAE	
CC1=C(C)[C@H](NCC[C@H]2CCC(C)(C)C2)CCC1	2321607325	DRGVZFSNKKJPIH-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCc1occc1C(=O)CC[C@H]1CCC(C)(C)C1	2321615425	FFWGRIYMWMXNDY-LBPRGKRZSA-N	248.366	4.631	0	10	BJAE	
CCN(CC[C@@H]1CCC(C)(C)C1)c1ccccc1	2321641487	FODSEQXZPAZISN-HNNXBMFYSA-N	245.410	4.729	0	10	BJAE	
CCC[C@H](C=C1CCC[C@@H]1[C@H]1CCCCN1)CC	2328086272	QYZAOWCLSLRDHQ-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCCCCCN[C@@H](CC)c1ccc(CC)cc1	37224081	ZZUYOJUPDCVTHR-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CCC[C@@H](NC[C@H]1CC=CCC1)c1cccs1	49541292	NZXPBJWVWZFYGT-UONOGXRCSA-N	249.423	4.535	0	10	BJAE	
CCC[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC	59014239	PRUXPXFIRXLJNL-CHWSQXEVSA-N	247.382	4.575	0	10	BJAE	
Cc1ccc(NC2CCCCCCCC2)cc1	78369503	YBMXHKKDSKULOW-UHFFFAOYSA-N	231.383	4.910	0	10	BJAE	
CCCCC[C@H](C)n1c(C(C)C)c[nH]c1=S	82944795	ZGRMYUMZNJCWNE-NSHDSACASA-N	240.416	4.810	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@@H](C)[C@@H]1C	85098720	SDNCXMVESOPDSY-IVMMDQJWSA-N	245.410	4.794	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccccc2F)CC1	86893888	ULWBFBHACYYANT-QWHCGFSZSA-N	235.346	4.597	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CC2CCCC2)CC1	87187493	UFVVUBKVZBBGFV-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCC1CCC(O)(c2ccc(C(C)C)cc2)CC1	109695103	IBLKULSUNUSADD-UHFFFAOYSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCCC)C1=CCCC1	110230258	DJHFPVKNEBSZIU-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1c(C)oc2ccccc12	123753827	HDYJETYOTULZRK-BXUZGUMPSA-N	246.350	4.601	0	10	BJAE	
CCCCCC[C@@]1(O)CCCC[C@@H]1C(C)C	125845663	OKHRUDWCHBQKEE-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CCCNC[C@H](C[C@H](C)CCC)C1CCCC1	128232901	KBAPKVAYUKQCJU-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@H](N)c1ccc(C(C)(C)C)s1	165412953	IOLZBWUTYQGSSM-NSHDSACASA-N	239.428	4.626	0	10	BJAE	
CCC(CC)C[C@@]1(O)CC[C@H](C)c2ccccc21	167664787	GUCQMBSEPRUPJJ-GUYCJALGSA-N	246.394	4.598	0	10	BJAE	
CC[C@@](C)(CNCC(C)C)C1CCCCCC1	168057160	UCRKFQYLLLRDRI-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1(C)CCCC1	168916010	PXCVTQXTQWGFCF-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CC(C)C(C)(C)CNc1ccc2ccccc2c1	232530725	XDURIDFITVQNBA-UHFFFAOYSA-N	241.378	4.934	0	10	BJAE	
CCCCCCc1ccc2c(c1)CC[C@H](C)N2	232945603	UQUGYVDBEWEPHI-ZDUSSCGKSA-N	231.383	4.556	0	10	BJAE	
CCCC[C@@H](CC)Cc1cccc2c1CCCN2	233000535	BMQUQHIHTUVWGP-CQSZACIVSA-N	245.410	4.804	0	10	BJAE	
C[C@H]1C[C@@H](C2CCCCCC2)c2ccccc2N1	235741692	FQMFHNRNCPCRRW-BBRMVZONSA-N	243.394	4.945	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1ccc([C@H](C)CC)cc1	251239408	AJHIWQZGWSPVGS-JKIFEVAISA-N	247.426	4.897	0	10	BJAE	
CC(C)(C)C1=C(C#N)CCc2ccc(Cl)cc21	260454832	FBKRXMYEXVYYGX-UHFFFAOYSA-N	245.753	4.609	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@H]2CCC[C@H]2C)cc1	300278705	BALKLBVMMBIVKD-RMHZUWNSSA-N	245.410	4.636	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C1CCCCCC1	300854239	LHPVAMJOOYSEMT-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CCCC(=O)c1coc2ccccc12	305933904	PQORYIJSAUICDQ-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC[C@H]2C)cc1C	306056874	VQCXMUWUELBZDW-MLGOLLRUSA-N	231.383	4.548	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cc2cc(C)ccc2o1	310669857	GTXIZAQFKWFMDU-WBMJQRKESA-N	246.350	4.601	0	10	BJAE	
CCCCCCC1(CNC)CCC(CC)CC1	317981707	LMOBYYQOFVKXBY-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)C(C)(C)C1CCC1	322621860	PGYXGPGKOHZNII-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CC[C@H](CC)CC1	328372409	WMXPOCYJCXXISQ-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@H]2CC3CCC2CC3)c1	382157249	OVVICUQZGBHSPE-ARAOSMHQSA-N	243.394	4.622	0	10	BJAE	
CCCC1(N[C@@H]2CC[C@H](C)[C@@H](C)C2)CCCC1	382298955	OZWLCHAVYULWSO-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCC1([C@H](O)C[C@@H]2CCC[C@@H](C)C2)CCCC1	382507091	VTXJYSYWRVBPEN-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
Fc1cccc2c1ccn2CCC1=CCCCC1	385083281	ZILVRHNJOSZCAJ-UHFFFAOYSA-N	243.325	4.671	0	10	BJAE	
CC[C@@](O)(CC1(C)CCCC1)c1cccc(C)c1	386029635	YBVSFFVJYWQJHO-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CC(C)(C)C[C@H]1C	386262217	MXTOMLVCJILWDE-MGPQQGTHSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)CNC[C@H]1CCCC1(C)C	388944171	SLXAULKGRIPUHI-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
Cc1cc([C@H](C)Nc2cscc2C)cs1	395713056	QXXOAQIFZGUTRQ-JTQLQIEISA-N	237.393	4.600	0	10	BJAE	
Cc1cc2ccc(C)c(C(F)(F)F)c2s1	396192748	FQGWEHLYSYOWQF-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
Cc1cc2sccc2c(S)c1C(F)(F)F	396304324	NOWVFHFEJQRNQB-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccc2c(c1)CCCC2	404625089	CCAUODRBRKKOQE-GUYCJALGSA-N	243.394	4.556	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CCCC2CCC2)C1	688354183	ROUWXMQNCGBXOB-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCCCC1CCC1	688405667	OAZZHZGWXKOMEK-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC1([C@@H](O)c2ccc3sccc3c2)CC1	691827957	HUJPMBVNXGZIKU-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@H]2CCC23CCCC3)C1	694330948	OOJYVAIMIABMQK-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C1CCC2(CC1)CC2	695669360	BOIKNWFZKCZPMM-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC[C@H]1C1CC1)C1CCCCC1	696105884	RKQGLJIPMVXDFJ-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C1(C)CCCC1	696563143	WOBWDUAOESHQOX-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC/C=C/c1ccccc1	696595072	TZPHJFBKDNMFAV-OQRGYWNNSA-N	246.394	4.667	0	10	BJAE	
CCC(C)(C)CC(=O)CCC1=CCCCC1	697210564	MQTHNEXUBKYPEU-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
Cc1cccc(Cl)c1NC1C[C@H]2CC[C@H](C1)C2	697698915	MAYUDTNXMCLVTO-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CCC(CC)C[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	699051067	MAXPRXMTFPEXOV-IVMMDQJWSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC(=O)c1cc2cc(C)ccc2o1	700333265	MOFNIHWUBROPDK-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
CCN[C@H](c1cccc(C)c1C)C(C)(CC)CC	701167776	ZOFDOULYQPRHPO-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCC(C)(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	701308587	KQAWXHFKVNAHPS-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@]1(CNC(C)(C)C)C[C@@H]1C	703339373	COQBIVVGNXGSTQ-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC1CCCCC1	704889112	MJSNROLVKDANJA-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
C[C@H](COc1cccc2sccc12)C1CCC1	705008373	BKPLQJFHNWCSBR-LLVKDONJSA-N	246.375	4.716	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@H](C)CC(C)(C)C	709122377	ISQWPYZEYOEWPS-GDBMZVCRSA-N	241.463	4.994	0	10	BJAE	
O=C(CCC1CCCCC1)C12CCC(CC1)CC2	710324203	QWQNYSANJVLKMI-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC(C)(C)CC)NCC	713134188	PFPHJHGFACNAGL-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1N	713159682	LGSAITFCBMPCID-BFHYXJOUSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C/CCCc1cccc(C(F)(F)F)c1	713641961	BURFCAQRZHIZHX-ONEGZZNKSA-N	240.268	4.770	0	10	BJAE	
O=C(CC1CCCC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714435660	QXYIXVAYLAHWGO-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
N[C@H](C1CCCCC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714477123	SZGHWQWNIWJOHV-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1=CCCCC1)c1ccc(C2CC2)s1	716554465	DNBMMTQYDLFZHG-CYBMUJFWSA-N	247.407	4.516	0	10	BJAE	
CC(C)=C(C)CCNCC(C1CCC1)C1CCC1	718539899	NSSDCGBEHSGRTM-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)C1(C)CCC1	720717037	PGNQLOUJEDZJIK-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC1(C)C)CC(C)(C)CC	723153579	NQTGTJFUFKTOSX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
COc1ccc(C(C)C)cc1CC1CCCCC1	725383422	WCBYIPDSDWGECO-UHFFFAOYSA-N	246.394	4.941	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)[C@]12CCC[C@@H]1C2	822068958	OMNWRJVDVVXGGG-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCCN(CCCC)CCC1=CCCCC1	1307506219	PYOXILBOFCQIRS-UHFFFAOYSA-N	237.431	4.779	0	10	BJAE	
C[C@@H]1CC[C@@H](NC2CCC3(CCC3)CC2)C[C@H]1C	1656064462	YEASFUWQQZCHEO-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CCCCCCC(C)=CCCNC(C)(C)C	1884964080	SLHGVFUFJSGNOC-UHFFFAOYSA-N	225.420	4.681	0	10	BJAE	
CC(C)Sc1cccc(C[C@H]2C=CCC2)c1	1905161969	JKLFXYLUKSMJQQ-ZDUSSCGKSA-N	232.392	4.696	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)c1sccc1C	1905434628	LIIGYDGZIRZRNO-OLZOCXBDSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](C[C@@H](CC)CCC)NCCC	1905434918	NVJFJJFDXKRMCK-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@]12CCCC[C@@H]1C2	1909871289	GGAOMLOILVSNPG-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CNCC1(CC2(C)CCCC2)CC2(CCCC2)C1	1912568176	OWFJPCRHOABDGD-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](CC1(N)CC2(CCCC2)C1)C1CCCCC1	1912730517	XTYRVTMTNLKVOV-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H]1CCC2(CCCC2)C1	1916403610	YNCZOJLRHJSNAA-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCC1(CNC[C@H]2CCCC23CCC3)CCC1	1921583172	KQWYOFVSGLDSNG-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H](C(CC)CC)[C@@H](C)C1CCCCC1	1924112262	XGNNLFCIFCXSDE-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H](C)C1CCCCC1	1924139479	QHQQWJXQTSYEII-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C[C@H](C)C1CC1)C[C@@H]1C=CCCCC1	1925916124	SDDFEZYXJQFYAW-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H](C)C2CC2)CCCC1	1940718957	JGJLXDSNFRDAFT-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@@H](C)CC(C)(C)C	1940789851	GXHPTFWZBNNALR-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(=O)c1csc2ccccc12)C(C)C	1941262380	DBZTUMROTLNIGV-LLVKDONJSA-N	246.375	4.766	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H](CCC)C(C)C	1941264314	QYIMXPCFEHVGOH-HRCADAONSA-N	241.463	4.993	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](CCCCCC(C)C)NC	1941266028	ZAQSBTJSJSILRH-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](N)(CCC(C)C)C1CC1	1942661404	WBLLMRPJURISIG-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CNc1cccc(C2(C)CC2)c1	1944596167	LFIQRWOXDNXIFG-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCCN[C@@H](C)CCC(C)(C)C1CCCCC1	1946194990	URNAMLLXLLLUEA-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)[C@@H]1CCCC[C@H]1CC	1947460984	APCPPEDHPBGVRI-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)CCCC(C)C	1947465457	VKAIFGBURZRLMU-OAGGEKHMSA-N	239.447	4.760	0	10	BJAE	
CCN[C@@H](CCCC[C@@H]1CC1(C)C)CC(C)C	1948850011	UKKPXEYEBKCZMP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CCC(C)=C(C)C	1949047624	UDSDFZJHSJRTBF-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
C[C@@H]1CC[C@@H](C2(O)CCCCCCCCC2)C1	1949451681	ITIZPIPTSUMPNP-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCC(C)(C)C1)NCCC	1949540759	NYXSBDBPBMGWCX-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)C=CCCC1(C)C	1949661419	LJISQJVLIIWKPQ-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@](C)(O)CC1CC2(CCC2)C1	1949858614	ZQLXIBDTEKXFCL-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@@H]3CCC[C@@H]3C2)c1Cl	1950292368	FUIASIYYVPRXLQ-CLLJXQQHSA-N	249.785	4.639	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2(CO)CCCCC2)C1	1950371419	JMQHNIHFYXGQJP-GJZGRUSLSA-N	238.415	4.536	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C1(CC)CCC1	1951238278	IMLLQRDXUDJRII-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)=CCC[C@H](C)C[C@H](CCN)C1CCC1	1952129624	KOMMITYIZCENJY-HOCLYGCPSA-N	237.431	4.524	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC1CC(CC)(CC)C1	1963174490	OESGBOVNJAJGRV-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc([C@@H]2CCCN2[C@@H](C)CCC(C)C)o1	1964148779	ROAXRMLOCMCBRD-ZFWWWQNUSA-N	249.398	4.550	0	10	BJAE	
Cc1ccc2c(c1)CCCN2CCCC(C)(C)C	1968413920	LLQAGVBKIWTKSW-UHFFFAOYSA-N	245.410	4.574	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(CCF)cc1	1970092752	JVKSHJBPEGDXCQ-AWEZNQCLSA-N	237.362	4.579	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@@H]2CCC[C@H]2C1	1970662762	DSISMTKZQKVXPC-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@@H]2CCCCC23CC3)CC(C)(C)C1	1972725135	KBXMSTADUPJQCO-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](NC1CC(C)(CC)C1)C1CCCCC1	1973591969	XGHINQBGUVFJJA-HWOWSKLDSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)CC(=O)C[C@H]1CCC=CCCC1	1978280455	GMZDEZOUYMSQTH-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCCN[C@H](C(C)(C)C)C(CC)(CC)CC	1978586068	GSYYACKNDURPOV-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCCCC(=O)c1ccc(C)c(F)c1Cl	1993690459	OZPILZBSMNQUGL-UHFFFAOYSA-N	242.721	4.551	0	10	BJAE	
CC[C@H](C)Cc1coc2cc(C)cc(C)c12	1995463427	JUEZUANMKPROPQ-JTQLQIEISA-N	216.324	4.638	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CC2(C)CCC2)CC1	1997116140	JGQGTABDLISOOD-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCSc1ccccc1N[C@@H]1CC[C@@H]1CC	1998742612	NULJBDFOUURAFY-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
CCCC[C@](CC)(CCCCF)CNCCC	2000499976	PPBGHSYWSGDNCQ-OAHLLOKOSA-N	245.426	4.712	0	10	BJAE	
CCCC[C@@](CC)(CNC)C[C@@H](C)C1CCC1	2000504403	HWPCJSVQBJYGRN-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CN[C@H](CCC=C(C)C)[C@H]1CCCC(C)(C)C1	2002974161	MKKVGOPTGOJWSD-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(N)[C@@H]1CCC[C@@H](C)C1	2002997109	AFLGNHPXEZGPGA-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1CCCCCC[C@@H]1O	2003097990	ISJCLIGFWQAZBK-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)C[C@H]1CCCC2(CC2)C1	2003220291	GTFQMWBCUWFYSP-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)[C@@]1(C)C=CCCC1)CC(C)(C)C	2003333931	HZIVKKULRYQYDH-CJNGLKHVSA-N	236.399	4.764	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCCC(C)(C)C1	2004711085	GHSJMTGOVHOWSU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCC1CCC(N)([C@@H]2CCC[C@@H]2C)CC1	2006767386	YNUZRAULUSEIBA-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)CC(C)(C)C	2007933800	DBRYQVOZWYWQNH-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CCC(C)(C)C2CC2)CC1	2009403242	AHNOCYXEWMGVQW-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@]1(CNCCC)CC[C@H](C)C1	2009618195	ZYJORSVIIGWRNV-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H]1NCC[C@@H]1CCC1CCCCC1	2009770346	ODPRBGOAWYKOSB-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C(=O)CC1CC(=C2CCC2)C1)C(C)C	2011073708	MFWQCYTZFLDPNT-HNNXBMFYSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC[C@H]1C[C@@H]1C)NCC	2011581702	YODIWKWZXNQPPO-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](CC)c1occc1C	2012055971	CNGSZDGPQORQCK-ZIAGYGMSSA-N	237.387	4.598	0	10	BJAE	
CCCCC[C@](C)(O)CC12CCC(CC1)CC2	2012819471	NAQUTPXLDNMSBF-PCKAHOCUSA-N	238.415	4.678	0	10	BJAE	
CCC1CC(CN(C)[C@@H](CC)CCC(C)C)C1	2013304370	RXJXSLOFBQROJB-GPANFISMSA-N	239.447	4.569	0	10	BJAE	
CN[C@@H](c1sc2ccccc2c1C)C(C)(C)C	2014293938	WDLLBLAQJWYOKO-AWEZNQCLSA-N	247.407	4.516	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)[C@@H]1CCCC(C)(C)CC1	2015276738	AOSFSRBITYCOEX-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CCC1CCC([C@](C)(O)C[C@@H](C)C(C)C)CC1	2015290642	LZLYNNLFJSIOJK-PRLABOORSA-N	240.431	4.636	0	10	BJAE	
CCC1(NCCC(C(C)C)C(C)C)CCCC1	2015345640	VIKUXPQGDCIAMO-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)c1cccc2sccc12	2017239555	TZSGFWFQNMGUPG-MNOVXSKESA-N	244.359	4.520	0	10	BJAE	
CCCC1CCC(C[C@H](C)[C@@H](C)NCC)CC1	2017728458	LZSFNRIGMTZUSJ-QRNKSROTSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1[C@H]2CCCC[C@H]21	2018131073	RKZOIJWUWJAUFS-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@]2(O)CC(C)(C)CC[C@@H]2C)CC1	2018965475	RDRDZXNCKSFLEZ-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H]1C[C@@H]1C(C)(C)C	2022498059	GFWLINXURLWVJA-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](C)C(C)(C)CC	2023450653	PCANZXQBSONMPN-NSHDSACASA-N	237.362	4.625	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@](C)(N)C2(C)CCC2)C1	2024095876	SQZJSMIWQXDWCO-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC1CC(C[C@@H](O)CC2(C)CCCCC2)C1	2025329839	ZEFGHZQMZOWLRG-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CCN[C@H](CC)c1cccc(C)c1	2029965999	FCKJYGONEYVIQF-WMLDXEAASA-N	247.426	4.862	0	10	BJAE	
CC(C)(C)NC[C@@]1(C2CCCCC2)CC12CCC2	2032132434	PZPFRFJUMPIRKR-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1=CCCC1)C(C)(C)C1CCCC1	2032302389	WXMNXIRRCPBEJM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@H]2CCC[C@H]2C)cc1	2032514735	OKZKTMIIJRLTEM-KBRIMQKVSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@@H]2CCC[C@H]2C1	2033066504	ZWPLBFHOCWMTPA-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC12CCC(CC1)C2(C)C	2033411357	CYGNQKPBBBYFEL-BOLLXYOYSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccccc1C(=O)C[C@H]1C=CCC1	2035551229	FBJPSDRWDZMNGE-ZDUSSCGKSA-N	242.362	4.523	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@H]3CC[C@H]2C3)CCCCCC1	2037076290	VJSFCCNYJCUMLZ-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@@H]1C1CC1)C1CCCCCCC1	2037127708	CPKXGDYDODCXCD-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2CC3CCC2CC3)CCC1	2037136237	XBRLTIMFDCXVSE-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@H]2CC=CCC2)CC1	2037165430	DXEBRELUWMSQCK-IKGGRYGDSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2[C@@H]3CCC[C@@H]23)CC1	2041385941	GSVUQIPKAKFFOQ-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CN[C@]1(C)CCCC1(C)C	2041728250	HXXVKSCAYHMXGE-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@H]1C[C@H]2C[C@H]2C1)C[C@H]1CCC=CCCC1	2045307028	GBWMXQNYTMENLC-YHUYYLMFSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC[C@H]3CCCC[C@H]32)C1	2045515859	FXIZCWPXMPRDRE-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CC[C@@H]2C2CCCCCC2)C1	2045521330	KBAOXAFGQCHWKF-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CC[C@H](CNC2CC3(CCCCCC3)C2)C1	2046230460	SCINUYQVLXHWIS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC1(N)CC2(CCCCCC2)C1	2046232388	WRVAHBOKKGQWAG-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C1CCCC2(CC1)CCCN2CCC1CCCC1	2046562828	XOVDBRRHSFPCMA-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@H]1CCC12CCC2	2047927858	GNKQJAVBWGAPJF-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048447623	YRAPBFVVVORVNS-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC(=O)C[C@H]1[C@H]2CCCCC[C@H]21)C1CC1	2048467420	PMERCZGSGMKRBQ-MUJYYYPQSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1OC1[C@@H]2CCCCC[C@@H]12	2049191369	KOEJIVVZQNXWRV-HUUCEWRRSA-N	244.378	4.768	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)[C@H]1CC[C@H](C)CC1	2049634521	JKRWYILOQQFDDI-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC(C1CC1)C1CC1	2049646708	FQTRDRLPRQJCOX-OAHLLOKOSA-N	248.410	4.742	0	10	BJAE	
CC1(C)[C@H](CNC2CC2)C12CCCCCCCC2	2049678184	KBONAZQEEZYMQP-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCCC(C)C)c1ccc(C)cc1	2050432772	YAMXEKRSGFJRMX-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
C[C@@H]1CC[C@H](N(C)C2CCC3(CCCC3)CC2)C1	2051646403	SFESBYANIGHGAS-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CCC(C)(C)CN1CCCC[C@@H]1c1ccc(C)o1	2051736422	KIXAWBILIXGMAL-CQSZACIVSA-N	249.398	4.551	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@]2(CN)CCCCC23CCC3)C1	2053419126	DEKDWERVWSLRDK-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@@H]2CCC=CCCC2)CCC1	2055599610	OMZCJVDUIHUEEK-IAGOWNOFSA-N	247.426	4.731	0	10	BJAE	
CCC[C@@H](Nc1ccc(CF)cc1)[C@H]1CC1(C)C	2055669624	MUHNEHUPUUZTHY-HUUCEWRRSA-N	249.373	4.783	0	10	BJAE	
N[C@H](C=C1CCCCC1)[C@H]1CCCCC12CCC2	2056879191	QTXVJZLPPAMQKX-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C=C2CCCCC2)CC1	2056921254	YHFXJZMALFMDMS-NVXWUHKLSA-N	249.442	4.955	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C1=CC[C@H](C)CC1	2060915103	XHGKAHQANLDTCE-GUYCJALGSA-N	243.394	4.556	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCCC3(CCC3)C2)CC1	2061110739	KSFLJLODKYSTCZ-RHSMWYFYSA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@H]1CC=C([C@]2(N)C[C@@H](C)C[C@@H](C)C2)CC1	2061123179	VSFCURPZMPGUSP-IVSAIRAKSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CC1(C)CC1)C1=CC[C@H](C(C)C)CC1	2061147468	OCSPOZGLLHBYLE-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@@H](NCC)c1ccccc1C(C)C	2061562346	CFVBVGGMHXNEOO-QGZVFWFLSA-N	243.394	4.582	0	10	BJAE	
CCN[C@H](CC[C@@]12CCC[C@H]1C2)C1(C)CCCC1	2061572847	UIDZWVTUZVSYQQ-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(NCC[C@]23CCC[C@H]2C3)cc1	2061573060	VMVFCJPUEVNAKH-RDJZCZTQSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CCC[C@](N)(CC[C@]23CCC[C@H]2C3)CC1	2061614245	DCZZUFJYIFUPAQ-BHYGNILZSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1CC(=C2CCC2)C1)CC(C)(C)C	2061725023	AKFXDQXJBAIQIM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCCCCC23CC3)C1	2062025035	ZYDOPMRCFXUGAQ-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](C[C@H](N)[C@H]1CCC2(CC2)C1)C1CCCCC1	2062793111	CIJOQQSGCCDRHI-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063489170	XMWGZNBBVXUIBN-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCC1)CC1C[C@H]2CCC[C@@H]2C1	2063525615	XBADMXCANWPYRC-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC[C@@](O)(CCCc1ccccc1)CCC(C)C	2066000081	NZILFHAPIOPSGI-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068718980	KXAGAMWYJAELNS-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H](C)C2CC=CC2)CC1	2070814636	NMPYIBNOCVQAMD-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@]1(CNC(C)(C)C)CC=CCC1	2070972591	UMVXQSCLPPGXAX-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)C2(C3CC3)CC2)CC1	2072794680	WYTKSKAOPKJCPO-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@]23CCCC[C@@H]2C3)C1	2074031235	XPJNYWSRGMZTPE-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@]12CCCC[C@H]1C2)CC1CCCCC1	2074051055	NNCDTLOBFSXDNA-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H]1CCNC2(CCCCC2)C1	2074137592	BYDPTNLCFFQSCN-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC(=O)c2ccccc2C2CCC2)CC1	2074572832	SETNZPWPQUPEER-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@H]2CCCC3(CC3)C2)CC1	2074647244	VQLRECLTXLBFMH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(CC)c1cccc(C)c1	2074900259	PXEWGRDDJGHXOL-NVXWUHKLSA-N	245.410	4.790	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CNc1ccccc1C1CC1	2079623256	FVJLOUCVDBCACN-ZFWWWQNUSA-N	243.394	4.658	0	10	BJAE	
Cc1ccc(C(=O)CC[C@H]2C[C@H]2C(C)(C)C)cc1	2079851455	LGRAGSNOPGXCSQ-LSDHHAIUSA-N	244.378	4.640	0	10	BJAE	
CC1(CC(=O)C[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079861590	GOZZVGSVWNECIH-GDBMZVCRSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1CCC2(CC2)C1	2081779122	FNEUOYJTJUMADJ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCC[C@@H](CC)C1	2081946360	GPTUZOGDLSJTQC-IUODEOHRSA-N	249.373	4.769	0	10	BJAE	
CCC(CC)[C@@H](C)NCc1cc(C)cc(C)c1C	2082905367	JGHKNBNDQDUOKB-OAHLLOKOSA-N	247.426	4.526	0	10	BJAE	
CC1(C)CCC[C@@H](CC2C[C@@H]3CCC[C@H](C2)N3)C1	2082976347	QAFWFQORHWHJEI-HNSVSWJLSA-N	249.442	4.514	0	10	BJAE	
C=C=CC[C@H](CC1CC(C)(C)CC(C)(C)C1)NC	2082984725	CWSOFWUHHSDBCK-OAHLLOKOSA-N	249.442	4.548	0	10	BJAE	
Cc1cc(C)n(CC2CC(C)(C)CC(C)(C)C2)c1	2082990719	KOJWOFKWMJOSNY-UHFFFAOYSA-N	247.426	4.957	0	10	BJAE	
CCC1C[C@@H]2CC[C@@H](C1)N2[C@@H]1CCC[C@H](CC)C1	2084424458	IJGRXFPFRCYXQD-ORQFMDKSSA-N	249.442	4.608	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CCCCC1CC1	2211113507	KSDZNOFVAZYVOL-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CN[C@@H](C)CC)CC(C)C	2212596694	KGKHFHFJSZUMOF-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1C[C@H]2CCC[C@H](C2)C1	2213289662	IWVJPRFTJJZRIB-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](N)CCCCCCC1CC1	2213572272	TYTKEWCNKGBSTG-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
O[C@@H]1CCCCC[C@@H]1CCCCCCC1CC1	2213575189	CLRAPMGYHRRROM-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CC[C@@](N)(CCCCCCC2CC2)C1	2213577199	ZDQPPUXIIOVBNK-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
FC(F)(F)C1CC(CC=Cc2ccccc2)C1	2213824059	BAKFWPLPYJJWPF-UHFFFAOYSA-N	240.268	4.678	0	10	BJAE	
FC1(F)CCC[C@H](C/C=C/c2ccccc2)C1	2213825498	URRWSYZPAPHLBU-PXYYCUNGSA-N	236.305	4.915	0	10	BJAE	
CCCC[C@](CC)(CNC1CCC1)[C@@H](C)CC	2217124656	JHJIBFRQSVDGGJ-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)Nc1ccnc(C(C)C)c1	2220863063	FRTUZBQKUPIBEA-ZIAGYGMSSA-N	248.414	4.688	0	10	BJAE	
CC(C)c1cc(N[C@H]2CCCCC2(C)C)ccn1	2220886496	WYOMWKGPBOLUPI-HNNXBMFYSA-N	246.398	4.586	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)C2=CCCCCCC2)CC1	2221627003	APXYYHMNZREBPF-SJORKVTESA-N	248.410	4.764	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2CC[C@H](C)CC2)CC1	2221643003	LEYBIOHZNXPJHO-QRTARXTBSA-N	248.410	4.908	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@H]1CC=CCC1	2223118022	LTFUABMFNGRTPK-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
C[C@]1(CNCCCCCCCC2CC2)C=CCC1	2223151457	BAKRSGGKJZGIOI-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCC[C@]1(C)C1CCC1	2223857764	RIOKOQYTEHDNCA-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)c1cccc2ccoc12	2224181662	QUWJLXFONCBABA-IUODEOHRSA-N	245.366	4.520	0	10	BJAE	
CCC[C@@H](C(=O)CC1=CCCCC1)C(C)C	2243207912	GLCVEMVXCPTXPQ-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1(C)CC(C)C1)NCC	2246453138	AYZQDWNBTSTOAD-LVDPKSTMSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1(C)CC(C)C1	2246583866	HOOPUEBEXGJMNN-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
CCc1cc(Cl)ccc1-c1ccc(O)c(C)c1	2248351096	MHXKWGPFPYKEFU-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
CCc1cc(Cl)ccc1CC1CC(=C2CC2)C1	2248360631	ZBXIKVORBLAIHU-UHFFFAOYSA-N	246.781	4.945	0	10	BJAE	
CC[C@](CN)(CCCCC[C@H]1C[C@@H]1C)C(C)C	2248846571	ULIPSSRLKKFDKI-HRCADAONSA-N	239.447	4.604	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(O)CCC(C)(C)C1	2248870715	MWKZXEQCCJRXDQ-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@]12CCC[C@@H]1CC2	2251182648	WACZKJRHGHXNMQ-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCCC1(NCC[C@H]2CCCCC23CC3)CC1	2253889724	NDSVUADLHUYDMS-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@H](NCC[C@@H]1CCCCC12CC2)C1CCCC1	2253890194	JKSSLRRZKQEMAD-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C2CC3(CC(C)C3)C2)CC1	2254491046	IQUCPDOSINKQGS-XRFBTWBJSA-N	246.394	4.518	0	10	BJAE	
C[C@H](CCCC[C@@H]1C[C@H]1C)C(=O)c1ccccc1	2254508382	MCOMYTFIYJAMAC-IIAWOOMASA-N	244.378	4.722	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)C12CCC(CC1)CC2	2254574985	CMQYZGGLUVYICZ-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(-c2cc(C=O)cc(C(C)C)c2)cc1	2254767421	AZTLLQPMNRIIGO-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
O[C@@H](CC1=CCCCC1)C1CC2(CCCCC2)C1	2255103449	UPVCIZJUPARROV-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
C1CCC(CCCNCC[C@@H]2CCCC23CC3)C1	2255329888	JWQWTTBPQXEQKT-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
Cc1cccc(F)c1NCCCCC[C@H]1C[C@H]1C	2257329099	SHEOVRSSAASMFG-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@H]2CC(C)C)cc(C)c1C	2258231572	PLEIGXBOVMEIPU-RDJZCZTQSA-N	245.410	4.848	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cc2cccc(C)c2o1	2259434342	ATTCVXYTZDGGKW-IUODEOHRSA-N	245.366	4.567	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)c1ccc(C)c(C)c1	2259451278	CLOGLAUAGZBRKX-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@]12CCC[C@@H]1CC2	2260508927	SFGYPMCSZAUUJR-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@]12CCCC[C@H]1CC2	2260511832	KNTSENZWLCYVMU-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CCCC1CCC(CN[C@@]23CCC[C@H]2CC3)CC1	2260561025	JEZXDQKGMMAKHC-SJJHQCBESA-N	249.442	4.515	0	10	BJAE	
C[C@H](CN[C@]12CCCC[C@@H]1CC2)C1CCCCC1	2260639103	REWVEAMHBYHJIL-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(OC[C@]23CCCC[C@H]2CC3)cc1C	2260646579	MLTZFIYGARVENJ-DOTOQJQBSA-N	244.378	4.653	0	10	BJAE	
CNCC1(C[C@@]23CCC[C@H]2CC3)CCCCCC1	2260651796	NFKIRXCFAQDINA-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1CC)C[C@@H](C)CC	2298128415	FHSRNLPDGZCWQL-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@]1(CNC)CCC[C@@H](C)C1	2300675707	HLMAWXPQIXXNJN-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)[C@@H](CC=C(C)CCCC(C)C)NC	2300936201	CJMCIINTSLVINJ-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCC[C@@](O)(CC1CCCCCC1)C1CCC1	2301136784	AWXMUPVRPSZDED-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)[C@H]1CCCCC[C@H]1C	2301967244	IQSIMENNDSGURE-UGUYLWEFSA-N	239.447	4.568	0	10	BJAE	
CC(C)(C)CCC[C@H](O)[C@@H]1CC[C@H]1C(C)(C)C	2303363109	DIPQHMNGZKGHJD-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H](C)CCCC(C)C)CC1	2303603461	SVNLQRKDFUHZDL-CVEARBPZSA-N	237.431	4.680	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@H]2CC=CCC2)C1	2304430499	BIRMOCCHTHPBFC-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC[C@@](N)(CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304436545	SQNOCALRVBENSO-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)CC[C@@H]1CCC(C)(C)C1	2304436866	UKKZUHKRRPVZFS-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC1(CN)CC2(CCCC2)C1	2307844092	PWDQSQRDQQLLRU-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CN)CCCC12CCC2	2307907609	MLTWJOXBWYPBOF-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)CC[C@@]23CCC[C@@H]2C3)C1	2310379833	IOVICUVPMUWQLQ-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](CCC[C@@H]2C[C@H]2C)c2ccccc2N1	2310427347	YYXGBPNELIQYGP-LXTVHRRPSA-N	243.394	4.801	0	10	BJAE	
CN[C@H]1[C@@H]2CCCCCC[C@@H]2C12CCCCCC2	2311937457	VLHUPQURDUJCQC-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CC[C@@](N)(CC)c1ccc(CC)cc1	2316561396	ZRVZJVBYHUPBLF-KRWDZBQOSA-N	245.410	4.559	0	10	BJAE	
C1CCCC(CC2CCC3(CCNC3)CC2)CC1	2316935093	NLVGGEVTRKCDNF-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H]1CCc2ccc(C(CC)CC)cc21	2318394784	CWEBTTQKDYVWDJ-KRWDZBQOSA-N	245.410	4.577	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@@]12CCCC[C@@H]1C2	2318586981	OTDQZIHQHMPADX-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)[C@@H]1CCC12CCC2	2318591715	BDZWSRCEWMWCNE-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)C(C)(C)C1CC1	2318592376	IKKUVCPMEJZFKE-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)CCCCC2CC2)CC1	2318874697	FITXHWUIZHJCNY-NVXWUHKLSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(NC[C@H]2CC[C@H]2C(C)(C)C)ccc1F	2320239660	GGLCXIQMVRHYIV-TZMCWYRMSA-N	249.373	4.618	0	10	BJAE	
CCc1ccccc1NC[C@@H]1CCC(C)=C(C)C1	2320413341	SCBBSTXDSHQKMW-OAHLLOKOSA-N	243.394	4.797	0	10	BJAE	
CCC(CC)CCC(=O)c1cc(C(C)C)ccn1	2327835786	HTNCZWMBTLCIQZ-UHFFFAOYSA-N	247.382	4.604	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1cccc2ccccc12	21515969	MKIQMUZOJBKAJP-BBRMVZONSA-N	239.362	4.830	0	10	BJAE	
CN[C@H](CCC(C)C)c1ccc(C(C)(C)C)cc1	35493528	DYFNKBCYRTWKFW-MRXNPFEDSA-N	247.426	4.681	0	10	BJAE	
c1ccc(SC2CCCC2)c(NCC2CC2)c1	37123517	SEEHJOWDCPDZAB-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
CCCN[C@H](C)c1sc2c(C)cccc2c1C	40996383	RAPXZMVDZRCWBF-GFCCVEGCSA-N	247.407	4.579	0	10	BJAE	
CCCN[C@H](CCCCC(C)(C)C)C(C)C	70747057	SFLVBSTVDXWLKB-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@@H](NCC)C1CCCCC1	71085276	JNCNBFLJQCNGTN-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC(C)[C@@H](C)CNc1ccc2ccccc2c1	81069955	KNEXGVOICVKKKE-ZDUSSCGKSA-N	227.351	4.544	0	10	BJAE	
CCC(C)(C)c1ccc(-c2ccc(N)cc2)cc1	90484058	GRVNZQRLCRXYAO-UHFFFAOYSA-N	239.362	4.623	0	10	BJAE	
CCCC[C@H](O)c1ccc(C(C)(C)CC)cc1	90484540	IMOPRJVXLHSQNK-HNNXBMFYSA-N	234.383	4.598	0	10	BJAE	
CCCCCC[C@]1(C)CCNC[C@@H]1CC(C)C	92692026	PCCXWHJYHFIDHA-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCCC2(C)C)cc1C	94322263	JBEBJKFYOJSAOX-GDBMZVCRSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1ccc(C)cc1	109718329	RDTCGCOUVJLTQP-GOEBONIOSA-N	233.399	4.601	0	10	BJAE	
Fc1ccc(-c2ccc3ccccc3c2F)cc1	112733534	PRIXKZWDDQSOON-UHFFFAOYSA-N	240.252	4.785	0	10	BJAE	
CCCN[C@H](CCC)c1ccc(C2CCC2)cc1	133140695	XIROJLSHDXLGAI-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CCCCC[C@@H](N)c1cccc(C2CCC2)c1	133637094	CSVOJWRKTNQJSH-MRXNPFEDSA-N	231.383	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1cc2ccccc2s1	162150437	WNNFJVWZLATBBV-YPMHNXCESA-N	247.407	4.727	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1cc(C)cc(C)c1	165738843	HOAXZUNHHNSJTN-ZBFHGGJFSA-N	244.378	4.703	0	10	BJAE	
CCNC[C@H](CCCCC(C)C)c1ccccc1	166352581	RIXIVCHPXKDSEG-KRWDZBQOSA-N	247.426	4.596	0	10	BJAE	
CCCN[C@H](CC1CCC1)C(CCC)CCC	167100047	FCTUYWWIWYMZND-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1cc(Cl)cc(C(C)(C)C)c1	202606717	DBVJROZPLWZEML-UHFFFAOYSA-N	210.748	4.761	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CCC[C@@H](C(C)C)CC1	220798784	BLDLZFLRXGHKPR-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@@H](Nc2cncc(C)c2)CC1	232074067	VQHGZANVDBOSNV-LSDHHAIUSA-N	246.398	4.551	0	10	BJAE	
CC(C)c1ccc2c(c1O)[C@H](C)CC[C@@H]2C	238214986	FDEBBEJQTDJECQ-WDEREUQCSA-N	218.340	4.516	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCCC1	250919003	ZOXJDKDFAQXUTQ-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCCC)[C@H](C)CC	253021014	BTCBECMCUKODQQ-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)[C@H](N)CCCCC1CCCCC1	300812304	XPUPMPWIHLHYTL-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@@H](C)CCC[C@@H](O)c1ccccc1	302347845	MRHMKAQHDOMYSX-GOEBONIOSA-N	234.383	4.573	0	10	BJAE	
CC(C)(C)NCCCCC1CCCCCCC1	302361818	XWBTUHYDAVERLO-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
C1=C/[C@H](NC2CCCCCCC2)CCCCC/1	302488293	RTFSHJNOMUHFIH-USYSOWRXSA-N	235.415	4.578	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@@H](C)CC(C)C	302507236	BGVZCBDUZONPSB-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@H]([C@H](O)c1ccccc1C1CCC1)C(C)(C)C	302509466	YPTNNMJXNUOCIN-WBMJQRKESA-N	246.394	4.670	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1ccccc1C(C)(C)C	302572167	PNSGDKVYRKBTJV-BBRMVZONSA-N	248.410	4.700	0	10	BJAE	
CC(C)C(Nc1cc(F)cc(Cl)c1)C(C)C	304400744	BHIUROPQDMPNID-UHFFFAOYSA-N	243.753	4.572	0	10	BJAE	
CC(C)CC[C@@](C)(O)CCC1CCCCC1	304444540	WBXHMDOCGJILRQ-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCOc1ccc2scc(Cl)c2c1Cl	306558196	ORVISLGRERTNAI-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
Fc1ccc2c(Cl)csc2c1C(F)F	306686935	KWNOPDOAJCCRLP-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC(C)CCCCNc1nccc2ccsc12	310125828	WIZHSEBQXVSXHV-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)C1(CC(C)C)CCCC1	310127405	XNFSCVPWPIPCKW-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CC=C(c2ccc([C@@H](C)N)c(Cl)c2)CC1	310223910	NUPFBTWPRHDWKP-WDEREUQCSA-N	249.785	4.563	0	10	BJAE	
CCN[C@H]1CCCC[C@H](CC2(C)CCCC2)C1	310503653	IPNDRGBTUUUVIZ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCC[C@@H](C)C2)c(C)c1	310780518	RMJVUZOVNPJIDS-DOMZBBRYSA-N	244.378	4.703	0	10	BJAE	
CC1(CC2(CNC(C)(C)C)CCCC2)CCC1	318413833	LZJZQFLAOQQRAN-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](c1c(C)cccc1C)[C@@H](C)[C@@H](C)CC	319791500	IBABSJRUJARHJA-NUTKFTJISA-N	247.426	4.636	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)C1CCCCCC1	379953470	CKLXKLCPNVIAJK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@H](CCCCCC(C)C)C(C)C	383207078	BFEANSRRPBEHHS-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@H]1CCCC[C@H]1C	384494721	AEOALBOLUDQBQZ-UKPHBRMFSA-N	245.410	4.636	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CCCC[C@@H]1C	384766367	BEXGKUKYZIDMLF-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
Cc1cscc1N[C@@H]1C[C@H](C)c2ccccc21	387365516	VNULDYYOWORMHC-IINYFYTJSA-N	243.375	4.717	0	10	BJAE	
C[C@H]1C[C@H](CCC2CCCC2)Nc2ccccc21	393970007	ZNBFZSHXCFRCMJ-ZFWWWQNUSA-N	243.394	4.945	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCC12CCC2	394775992	DTTVHWZLSWOQLA-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1ccccc1Cl	395156720	HQHJCQFARDYJNT-ZDUSSCGKSA-N	240.774	4.590	0	10	BJAE	
CCOc1cc2scc(CC)c2cc1Cl	396184834	CIAGGQYBJGJBJM-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1ccc2cc(C(F)(F)F)sc2c1C	396201383	RWSKIFXYLJHXRK-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CC(C)=CCCN[C@@H]1CC[C@H](C)c2ccccc21	397696773	FPAFWOBFQMLUNE-WMLDXEAASA-N	243.394	4.571	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CC1=CCCC1)NC	401129385	SATIFEBXADDRLX-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@H]2CC=CCC2)C1	402275697	JFJRDRTVIBQYQJ-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@@H](N)CCC(C)(C)C1CC1	405862394	DPTZHRJVPZXKOW-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC(C)(CC[C@@H](N)C1CCCCCC1)C1CC1	405896805	UOXFNKAGQQPQHJ-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](O)(CCC(C)(C)C1CC1)C(C)(C)C	406072052	OOQDODCXHABILM-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC(C)=C/C=C/c1ccc(Cl)cc1Cl	504610091	FASFNKTUFXTGIB-HWKANZROSA-N	227.134	4.973	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)CC1CCCC1	689768752	RCRPUCICLLGIPN-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H](C)CC1CCCCC1	689828734	DFXIJWAXBBCDKB-GJZGRUSLSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)Oc1ccc(Cl)cc1C(C)(C)C	694960621	HRMDBNXQFJSKQK-UHFFFAOYSA-N	240.774	4.815	0	10	BJAE	
CCN[C@H](CCCC(C)(C)CC)C(C)(C)C	696800846	XVXWYMCKDCMZLO-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)c1ccc(CC)o1	697774644	IDDMJIQOEQVCNL-HNNXBMFYSA-N	249.398	4.629	0	10	BJAE	
CC(C)CCCCNc1ccc(OC(C)C)cc1	703978103	BHKAGEZWVQLCIZ-UHFFFAOYSA-N	249.398	4.712	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@@H]1CCCC[C@H]1C	704911738	BIRYULJUPIDNPS-ZWNOBZJWSA-N	238.758	4.606	0	10	BJAE	
CCCC[C@H](CC)C[C@](N)(CC)C1CCC1	705300743	YKMNMWHKTTYDRE-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](NCC1CC(C)(C)C1)c1ccccc1	706222536	KAZVWFVTHCRVRG-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1C[C@@H](N[C@@H]2CCC23CCCC3)CC(C)(C)C1	708788365	MPSMAPGPCQZEIA-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC(=O)C(C)(C)C1CCC1)CC(C)(C)C	709122960	CHAFOZQJUNGAFY-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)CNC[C@@H](C)CC(C)(C)C	709139231	CLSRVJBRMJNFSM-GJZGRUSLSA-N	241.463	4.865	0	10	BJAE	
CC(C)CNC[C@@H](C)CC[C@H](C)CC(C)(C)C	709184879	HJXVHIPKVZXTPD-GJZGRUSLSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CCC3(CC2)CC3)CC1	709989296	KMYPVDNWXLTETB-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C[C@@H](NC)C1CCCCC1)C(C)(C)C	711093981	LFMZPNVPQWVNLI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@@H](O)C1CCCCCC1)C(C)(C)C	711183955	YGRBCTZVIPPERR-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
C[C@H](C[C@]1(N)C[C@@H]2CCCC[C@@H]21)C1CCCCC1	712389089	PCSFCPXGRXUDIK-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CCC[C@@H](C)C1	719176548	ZNEQTNFEHKXQKM-OCCSQVGLSA-N	222.372	4.518	0	10	BJAE	
Fc1cccc2c1CC[C@@H]2Sc1ccccc1	1307257299	DRLAJLODTYOJHX-HNNXBMFYSA-N	244.334	4.605	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC2(CC3CC3)CC2)CC1	1663164876	IEQIQEKNTFHVNZ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@]2(CCN2CCC2CCCC2)C1	1875948701	GUOXFFZMPXYOQK-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CC=CCCCc1cc(Cl)cc(Cl)c1	1888077609	CRTUFYQIYCJQHI-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
CCC(CC)c1ccc(Cl)c(F)c1F	1889469909	DULVQHGODYHHCQ-UHFFFAOYSA-N	218.674	4.522	0	10	BJAE	
CCC[C@H](O)CCC=C(C)CCCC(C)C	1900837871	IJVRWZRVXDLFHX-HNNXBMFYSA-N	226.404	4.700	0	10	BJAE	
CCCCCCc1nc([C@@H]2CC2(C)C)cs1	1901906870	BYJNBBUPUGZFEK-NSHDSACASA-N	237.412	4.779	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@@H]1CCC(C)(C)C1	1902268657	DJGIGLQDGZELIX-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@@H]2CC[C@@H]21	1907049110	GFZSNBLEJOHVOD-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC1CCCCCC1	1908594541	GLPBHKCSDBSKSU-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCC=CC[C@H](CC)c1ccc(F)c(C)c1	1912014787	ORXKWYOVEWIQQR-ZDUSSCGKSA-N	220.331	4.984	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C(=O)C[C@@H](C)C[C@H]1C	1916086695	PLRYVUOSNCKWFN-XGUBFFRZSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc2ccccc2c1NCc1ccccc1	1923929275	GGSOAJJQEKKYPH-UHFFFAOYSA-N	247.341	4.760	0	10	BJAE	
C[C@H](C(=O)CC(C1CC1)C1CC1)C1CCCCC1	1924099709	SKOCPKQPWVWFAU-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@H]1C=CCCCC1	1925891921	QLQFOEOILGZTQB-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)CC1CC(C)C1	1927027931	YONKCEXVBYEHNQ-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CNCC[C@H](C)CCC	1937294616	VQCZGIYCHMLFJK-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC1(C)CCCCC1	1940405635	CPOWVDIQMDAEKD-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)CC[C@@H]2CC2(C)C)C1	1940853888	SEUMXRYBIBFGJA-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC([C@@H](N)CCCC2(C)CC2)CC1	1940872907	AIIBTXLBTHQTOG-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](O)CCCCCC2CC2)C1	1941574868	GXRJCNWBBNLDKX-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC(=O)C2C[C@@H](C)C[C@H](C)C2)CCC1	1943048183	XLQQBQXBFJJPLM-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CC(C)(C)C)C(C)(C)C1CCCCC1	1944660714	KUTLENDZJPEEEU-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC[C@H]1C)C(C)(C)CC	1944842519	KPGSTQNMHNPZFI-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)NCCC1(C)CCCCC1	1945431392	BDIRMDSVIZBLLC-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)CCC2CCCCC2)C1	1945580935	BRJVJBNZAMFPBB-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCC1(C)CC(N[C@@H]2CCCCCC2(C)C)C1	1948392444	MTBHDKVOJHAEHP-NPCAHTBFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNCC)CCC[C@H](C)CC1	1950930725	QXOUGEAGZLXMAK-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1CCC2(CCCC2)C1	1967700384	XLXCOJIUSWTLQD-HZPDHXFCSA-N	249.442	4.824	0	10	BJAE	
CC(=O)c1ccc(C)c(-c2cccc(Cl)c2)c1	1968556140	GEYVGSZCIROBCL-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
Cc1c(F)cccc1NC[C@H]1CCCC2(CC2)C1	1968648458	OALYADZPSYXXDR-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H]2CC(C)C)c(C)c1	1968739645	UJBBPNQQGXOEMK-GDBMZVCRSA-N	231.383	4.540	0	10	BJAE	
C[C@@H]1CC[C@H](CNc2ccc(C3CCC3)cc2)C1	1969958342	GTRRAHFLDPYZPY-KGLIPLIRSA-N	243.394	4.802	0	10	BJAE	
F[C@H]1CC[C@@H](CNc2ccccc2C2CCC2)C1	1973428590	GMOVFIZADJBLJR-OCCSQVGLSA-N	247.357	4.504	0	10	BJAE	
CC=CCCCC(=O)c1cc(C)cc(Cl)c1	1984577959	GXCYEEUOVSIXHM-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
C/C=C/CCC[C@@](CC)(CCCC)CNC	1984635603	QZZALAOZCGCGPC-SBJJXXPASA-N	225.420	4.539	0	10	BJAE	
C[C@@H](Nc1ccccc1Cl)[C@@H]1CCC1(C)C	1987994346	JSMWGHJNVHRTGX-MNOVXSKESA-N	237.774	4.577	0	10	BJAE	
CC(C)C(CCC(=O)[C@@H](C)C(C)C)C(C)C	1988298048	UEPFMJKWKVVQLZ-ZDUSSCGKSA-N	226.404	4.556	0	10	BJAE	
CC[C@@H](CNc1ccc(C)cc1Cl)C(C)C	1988768971	XHHZLIXFOSMBBH-LBPRGKRZSA-N	239.790	4.743	0	10	BJAE	
CCCCC[C@@H](CC)[C@H](CCC)NCCC	1990093219	IVMVOCOSRHNCNG-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
C/C=C/CCCCc1cc(C)cc(C)c1C	1994002095	ZVZQDWYYYFVKHH-AATRIKPKSA-N	216.368	4.901	0	10	BJAE	
CC(C)Cc1csc([C@H]2CCCC[C@@H]2C)n1	1995463423	JTQSGXGTZTWROI-AAEUAGOBSA-N	237.412	4.635	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)C(C)(C)C2CCCC2)C1	1996230418	UAHKEDYUFAJNSQ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC(F)(F)CC[C@@](O)(CC)C1CCCCC1	1996554184	RUTRLLOKTDABJN-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2CC(C)(C)C2)CC1	1997107095	ZXPNEBIMBOOZBJ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@]1(C)CCCCC1(C)C	1997430453	XUMZLPAAERADAL-GDBMZVCRSA-N	239.447	4.760	0	10	BJAE	
C[C@H](C[C@H](O)[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000025587	WGRCTOUUFRIUKS-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@](N)(C1CCC1)[C@H]1CCCC(C)(C)C1	2000064352	ZIRPGWNSWPWLGM-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](C)(C[C@@H](C)CC(C)(C)C)C(=O)O	2000504443	IGENAEXOIHROFD-WFASDCNBSA-N	242.403	4.730	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@H]1CCC12CCC2	2001842900	BVEZKSBTZJEIDA-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC(=O)C1[C@@H]2CCCCC[C@@H]12	2002151864	MULZWBHGMKZLCY-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@@H]2CCCCCC[C@@H]2O)CCCCC1	2003095802	RKJUWQJZRLRSKW-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
O[C@@H]1CCCCCC[C@@H]1CCCCCC1CC1	2003099523	OBNOWDSLDTZZSO-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1CCC2(CC2)C1	2003288458	SPHAWGKMSSMNOO-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)C[C@@H](O)C1(C)CCCCCCC1	2004920163	HMVPLXRQCNTDJN-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)CCC(F)F	2008579421	FJKVCQJMDJSAAO-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCCCCC12CC2	2011272581	STMGXOQNNYXWGP-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011959629	YYMAJWWGKIOSEI-QKDCVEJESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1C[C@@H]2CC[C@@H]2C1	2015204457	WZCAXLUDBJYUDQ-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](C[C@H](C)C(C)C)NCC	2015290266	IPUGAJFCRVZMAR-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CC(=O)[C@@H]1C[C@@H]1C(C)(C)C)C(C)C	2015377600	RTBSEOMWMXDDPE-KGLIPLIRSA-N	238.415	4.556	0	10	BJAE	
CC[C@H]1CCCCN1CCC(C(C)C)C(C)C	2015391318	YNCQUXNUOUXMJZ-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
CC(C)C(CCC(=O)[C@@H]1CCC[C@H]1C)C(C)C	2015394393	NTQMJXIIQAQHBZ-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
CCC1(C[C@@]2(O)CCC[C@H](C(C)C)C2)CCC1	2015596526	RSCVBQXMWUTPGA-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@](C)(O)C2CC(C)(C)C2)CCC1	2015633295	NKFOFSJRFJRHIN-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
Cc1csc(C)c1C(=O)C1(CC2CC2)CCC1	2015742482	LZOMKVZPBGGVFL-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@H](NCCC)C1(CC2CC2)CCC1	2015752995	LZQZAARXSIXFNZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CC1(N)CCC(C(C)(C)C)CC1	2017470760	PZIKLXIDXHVQDD-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)C[C@H]1CC[C@H](C)CC1	2017721784	LMCPCEKZDROSKH-ZQDZILKHSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)NC[C@H]1CC[C@H](CCC)CC1	2017722294	PFLMKAHTRGZKDB-SHTZXODSSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(C[C@@H](N)C2(CC)CCC2)CC1	2017726032	WIZVPXXSHOBYAL-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCC1(NC[C@H]2CC[C@H](CC)CC2)CCCC1	2017729635	YTILFUDLDIKVDV-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(CC(C)(C)C[C@H](C)N)CC1	2017732944	GELZKRAYXQDSON-NFOMZHRRSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1CC1(CC)CC1	2018976019	QXHTTZKIGBVMAP-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCN(C)[C@H](C)[C@H]1CC1(C)C	2019343842	FJCDROXQRFVGGH-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@H](C)C1CCC1	2019767227	LBDZOFPIVLNSGD-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CC1(C[C@H]2CCCC(C)(C)C2=O)CCCCC1	2020389667	XPNFXPZQYPEUNF-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1ccc2sccc2c1	2022414988	OSYDZRUZFBLMHT-GXFFZTMASA-N	244.359	4.520	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](O)C[C@@H](CC)C(C)(C)C	2022459203	GCGZYBJUTCTLGJ-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CCCCC[C@H]1CC	2022564986	YWDWEMKFDJXWFF-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CC[C@H]1CCCC(C)(C)C1)CC(C)C	2024094899	NLHJLMYYQSEVPM-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@H]1CC(C)(C)CC[C@H]1NCC	2024126383	WSZZFRMAQBKAHQ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC1CC(CCNCC(CC)(CC)CC)C1	2025376995	WUPQHPYJHVEFRC-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2CC3CCC2CC3)CCCCC1	2027312912	AKDFURXFKCPJPD-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc([C@@H](O)[C@@H](CC)C(C)C)cc1CC	2028230913	ZFEZWJDWYLDOCV-DLBZAZTESA-N	248.410	4.527	0	10	BJAE	
CCC[C@@H](C(=O)C[C@@H](C)c1ccccc1)C(C)C	2028257886	MXJGBDJUNYBTHR-GDBMZVCRSA-N	246.394	4.822	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1C[C@H]1C1CCCC1	2028461434	IVNIHSCJENVHCX-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
Nc1ccc2c(c1)CCC2=CCCCCC1CC1	2028627584	FDUITFYWPPSTNE-UHFFFAOYSA-N	241.378	4.569	0	10	BJAE	
CCNC[C@]1(CC2CCC=CCC2)CCC[C@@H]1C	2028873927	JANFINSOBLGFAQ-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCC1	2032296234	CDJUWEDHBUWBDG-HZSPNIEDSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@H]2CC[C@H](C)C2)cc1	2033402180	OVHNLRYQZUDCBK-PYTWLRIVSA-N	246.394	4.670	0	10	BJAE	
Cc1ccc(NCC(C)(C)C2CCCC2)c(C)c1	2034019783	SDCQWHASGZZBQK-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
CC=C[C@@H](C)N[C@H](C)c1ccc(CCCC)cc1	2034975667	ACOQJJAJFKDDCD-HUUCEWRRSA-N	245.410	4.644	0	10	BJAE	
C1=C[C@@H](CNC2CCCCCCCCC2)CCC1	2035889403	VJBPXJSNUCUYJL-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC2CC2)CC12CCCC2	2036103430	CYSJGCOCWLKUFI-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@@H]2CCCC[C@H]2C)c1	2037143301	QQEVJRQCGWGDQO-KBRIMQKVSA-N	245.410	4.636	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(N)C1C[C@H]2[C@H](C1)C2(C)C	2037170879	VNEWRFXKZLOMQQ-ZOBUZTSGSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@H](C2(N)CCC(C3CCC3)CC2)C1	2037578403	IRGKMIPSYCFJRY-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1CCCC[C@@H]([C@@H]2CCC3(CCCC3)C2)C1	2037698420	NNZHLTKHBFEKRC-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CCCCCC2CC2)(CNC2CC2)C1	2038878942	DIOLUBIGUZBMIJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCC1(N)CC2(CCC(C)(C)CC2)C1	2038895443	PVADRAXPBRYRBQ-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C)cc([C@H](N)[C@@H]2CCC[C@@H](C)CC2)c1	2039370763	RXNBZRWXGMOWKE-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)CC12CCC(CC1)C2	2039417905	MEOWXKJHRUNXEM-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC1CCCCCCC1)C12CCC(CC1)C2	2039866599	ZSPVSNNAXDAABB-UQPPLGOBSA-N	249.442	4.658	0	10	BJAE	
CC1CCC([C@]2(CNC(C)C)CC=CCC2)CC1	2042088657	HSVXVKIXUZEEGX-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
C[C@@]1(C(=O)[C@@H]2CCC3(CCCC3)C2)CC=CCC1	2042089988	VZXCQUWOELBZPG-GDBMZVCRSA-N	246.394	4.662	0	10	BJAE	
C1=C[C@@H](NC2(C3CC3)CCCCC2)CCCCC1	2042950390	DVIFIEHVVIIOIF-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H]2CCC=CCCC2)cc1	2045304612	HHFQRBMXPXMCFK-DOTOQJQBSA-N	243.394	4.521	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)[C@@H]1CCCC(C)(C)C1	2045537693	CPMIPGUJLXCUFH-JJXSEGSLSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)C[C@@H]3CCC[C@@H]3C2)CC1	2046480785	XTTIRXXTWTZZOP-SCAQPMJSSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2046486321	ODNLKVGKANNCEQ-ZSHCYNCHSA-N	243.394	4.548	0	10	BJAE	
CN[C@H](CC[C@@H]1CC12CCCC2)CC1CCCC1	2047009612	FCVZGTZROMPONP-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H](N)C[C@H]2CCC23CCC3)CCCCC1	2047932606	NQHAAWXFZZZSNM-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@H]2CC23CCCC3)CC1	2049414518	IHFJQRQPIPBYHD-LMPOIIKSSA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CCC3(CCCC3)C2)CCCC1	2049804371	MEOYDXZHIMHRBJ-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC2(CC2)C1)C1(C)CCCCC1	2049851467	BNUIXSYZWGMXCL-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@H]1CCC2(CC2)C1	2049854584	HJMXTGGRTHGYPK-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)C[C@H]1CCCC2(CC2)C1	2049860985	WAMSOWWHKGASRU-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](O)CCCC[C@@H]2CC2(C)C)cc1	2050427764	CKTLTSNKUATVFA-HZPDHXFCSA-N	246.394	4.635	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC(=O)c2cccc(C)c2)C1	2050455362	DSWWQTWCQBVZAU-CABCVRRESA-N	244.378	4.784	0	10	BJAE	
CC[C@H](N[C@H](CC)c1ccccc1)[C@H]1CC1(C)C	2053264952	LPNRFKCLMFZEFL-OAGGEKHMSA-N	245.410	4.552	0	10	BJAE	
CCN[C@H](CC1(C)CC1)[C@H]1CCCCC12CCC2	2053412272	OHPFYUQHRZURGT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccncc1N[C@H](C)C1CCCCC1	2053852745	ALQVCWLEUCCCGW-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1CC2(CCC(N)CC2)C1	2056617709	WCGKSWSJQKQOSC-HHPWFTGOSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C(C1CC1)C1CC1	2059250381	PZSFRHOWRYAQOS-WMHVBEDNSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(C(F)F)c(C)c1C(F)(F)F	2060359864	XFCLYKXRJLRBFK-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC(C)[C@]1(CC[C@]23CCC[C@@H]2C3)CCCCCN1	2061573953	BYGOSPIWFOMJKY-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CCCC1CC(=C2CCC2)C1)NCC	2061728890	POTHRAUONAVXIP-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@H](NC1CCC2(CCCCCC2)CC1)C1CC1	2065893003	SSEDIEOXLUARHL-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CC1CC(C2(N)CCC3(CCCCCC3)CC2)C1	2065895557	AIYVVPWLXBFFKB-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CC[C@H]3C[C@@H]2C3)cc1	2069219546	CFVPREUBBBHDLP-ZENOOKHLSA-N	243.394	4.585	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3C[C@@H]2C3)CC1	2069355136	ZBJAOWMYSVDCON-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
COc1cc(C)ccc1N[C@@H](C)CCC=C(C)C	2070396888	DTDDQHSZVWXHTI-AWEZNQCLSA-N	247.382	4.550	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CC[C@H]2C2CCC2)CC1	2071786413	NRPKNWNSBVCJLM-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1(NCC23CCC(CC2)CC3)CCC1	2071894463	YMFKXWIVJODNRY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)[C@H]2CCCC23CC3)CCC1	2071951060	RRGBSTNCQORIOE-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CNC[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2072410725	FESIDNAOGNNWHK-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)c1ccccc1C(C)C	2072422758	DJSCWANLXLTUAR-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CCCC1CCC(C=C2CCCCC[C@@H]2N)CC1	2072819487	SBDDVZUZVLXURX-DQPZFDDXSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@]12CCCC[C@H]1C2	2074030520	UEWWWPVVTWPGFC-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1	2074596399	APFSYRKEDXOUNL-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(N(C)[C@@H]2CCCC[C@@H]2CC)cc1	2074898298	BSTFHLZSCCZNBY-DOTOQJQBSA-N	245.410	4.654	0	10	BJAE	
CC1(C[C@H](N)[C@H]2C[C@H]2C2CCCCC2)CCCC1	2079427242	HDHMHUYKLWKQBJ-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]2C2CCCCC2)C1	2079491988	NJEYTDUZCUBDCA-BFJAYTPKSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CC1(N)CC2(CCCCCC2)C1	2079861404	FBEMPUSGHNIGJW-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C[C@H]2C2CCCC2)CCCCC1	2079870051	JDZOXDCRXOZWNA-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@@H](C)N[C@H](C)C(CC)CC	2081208790	IWBGFMUDNWYZCP-ZIAGYGMSSA-N	247.426	4.724	0	10	BJAE	
CCC1CC(C[C@@H](NC)C2=CCCCCCC2)C1	2085000620	INFPPVUYUOSIQV-VMBOVVBDSA-N	249.442	4.681	0	10	BJAE	
CCC1CC(C[C@H](NC)C2=CC[C@H](CC)CC2)C1	2085002657	ZIIJZWRNHMUDKU-GIOUXUJVSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(N)cc1-c1ccc2ccccc2c1	2128689492	YLKLKDPRCIMDLX-UHFFFAOYSA-N	247.341	4.651	0	10	BJAE	
CC(C)=CCCc1ccc(CC(C)C)cc1	2210480922	XGBCJOMJOGKDPP-UHFFFAOYSA-N	216.368	4.784	0	10	BJAE	
CC1(C)C[C@]1(C)[C@@H](O)CCCCCCC1CC1	2213581487	XBOPCVFJIDAHJM-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)c2sc(C)cc2C)C1	2213605302	FERCHIVILPXDRK-ZANVPECISA-N	248.391	4.540	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H]1CCC(C)(C)CCC1=O	2215323466	DXVXCFKTXVCZLT-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)C1(C)CCC(C)(C)CC1	2215326658	ZWYDSRAERQWACH-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC1(C[C@]2(O)CCC[C@@H](C(C)(C)C)C2)CC1	2216255516	DPXIBWWEUWWICR-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@](C)(CCCCC(F)F)CNC(C)(C)C	2216426717	DMBWTLHETZCMJT-CQSZACIVSA-N	249.389	4.616	0	10	BJAE	
C[C@H]1CCC[C@@H](CCCCCCCC2CC2)N1	2216860301	AFZJCTLKEZWTLM-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)CC1CCC1	2216879510	JTOMUFJRPDDBHO-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@](C)(CN[C@@H](C)CC)CC(F)(F)CC	2217127000	GINLBOOCJGYNFI-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)NC[C@@H](C[C@H](C)CC(C)C)C(C)C	2217146099	WDEYKCDBTPDLOB-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](C)NCC1(C2CCCCCC2)CCC1	2217147485	JUYLKRNVEGUDBN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](N[C@H]2CCCCC23CC3)C1	2218037106	NLNUXKYEYFRALT-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C(CCCC1CC1)CCNC1CC2(CCCC2)C1	2218720182	GKBWZOKPIWXDSW-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H](C(=O)C/C=C/c1ccccc1)C(C)C	2219084114	GOCDFXYEFHRXPT-RCLKMUNOSA-N	244.378	4.731	0	10	BJAE	
CC1([C@@H](N)CCC[C@@H]2CC2(C)C)CC2(CCC2)C1	2221003220	CTJNHTSSAIAXDM-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)C2CC3(CCCC3)C2)C1	2221025712	OBFZSYHXSSILDE-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CN[C@H]([C@@H]1CCC(C)(C)C1)[C@@]1(C)CC=C(C)CC1	2221629129	YOBJIYWLYTZRPM-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C)c1ccc(F)c(C2CCCCC2)c1	2221802753	QPYLKSFSCNKAOA-LBPRGKRZSA-N	249.373	4.544	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)c1ccc2occc2c1	2224197239	BIYALJBLDDJLCN-LLVKDONJSA-N	244.334	4.688	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1csc(C(F)F)c1	2244767830	PTMUWBVHEVNPIA-GZMMTYOYSA-N	247.354	4.512	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CCC1CCCCC1	2244787005	YOFDUMYTOKCQKD-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(F)cc1Cl	2244799627	BZFWLDSOPRIASA-JTQLQIEISA-N	243.753	4.717	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CC(C)(C)CC2=O)C1	2246693668	JZSOTSIXRLKOMC-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C(=O)CCCC[C@@H]2C[C@@H]2C)CC1	2247173414	RZCZWZMZQCALJP-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](N)c2csc(C3CC3)c2)CC1	2248043839	DGOLFSHFCYAOCP-CYBMUJFWSA-N	249.423	4.596	0	10	BJAE	
Cc1cc(NC2CCC(C)CC2)cc(C)c1C	2249501420	QNYPOWJIAWAPDO-UHFFFAOYSA-N	231.383	4.602	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@]12CCCC[C@@H]1CC2	2251153617	KWMNYYQAEMBWTM-CZUORRHYSA-N	236.399	4.598	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@]12CCC[C@@H]1CC2	2251221174	NNGNWXUXTKJOBF-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CN[C@@H]1CC(C)(C)CCC1(C)C	2251710381	BOMBMPYOPJAIRV-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CN[C@@H](CCC[C@H]2CCCCC23CC3)C1	2253887494	WTNFHDAXFKVWOR-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C[C@@H]1CCC12CCC2	2254579391	NAQURLPZEBVYOL-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@]1(C[C@H]2CCC2(C)C)CC=CCC1	2255012659	JHULPMYXJQGDMD-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)C12CCC(CC1)C2	2257240956	MNJWLCQOHGIYKZ-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC[C@@H](O)c1ccccc1	2257251522	GYPSLOANSLMCKD-BHYGNILZSA-N	246.394	4.717	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)cc(C)c1C	2258245328	MIAREEVPYLTNTG-QLPKVWCKSA-N	243.394	4.602	0	10	BJAE	
Cc1cccc(F)c1NC[C@@]12CCCC[C@H]1CC2	2260584861	XLKGDQRKRRQSFE-BBRMVZONSA-N	247.357	4.516	0	10	BJAE	
CC(C)c1ccccc1OC[C@]12CCC[C@@H]1CC2	2260587416	MSQMMLAHACRIFJ-RHSMWYFYSA-N	244.378	4.769	0	10	BJAE	
CC[C@](C)(CNC1CC1)C[C@]12CCCC[C@@H]1CC2	2260658973	SKPRVIFQNCWSFH-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@]1(C[C@@]23CCCC[C@@H]2CC3)CCCN1	2260677126	CUPFQCJPCLRJCL-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C=C=CC[C@@H](CC1CC(CC(C)(C)C)C1)NCC	2261125667	IQNURZMSULIDNE-GPANFISMSA-N	249.442	4.548	0	10	BJAE	
Fc1ccc2c(c1)[C@H](CC1CCCCC1)CCN2	2261336236	BDLBKDLVLMNLRM-ZDUSSCGKSA-N	247.357	4.695	0	10	BJAE	
CCCN[C@@H]1[C@@H](C[C@H]2C=CCCC2)CCC1(C)C	2261442011	FGSPPBLBBLTRMI-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](CC(=O)[C@H](C)CC1CCC1)C(C)(C)C	2298905846	UUFDJCDNPFMRQG-TZMCWYRMSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CC1CC1)[C@H](O)C1(C)CCCCCCC1	2298926474	MPPLPJBIIZWIGE-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@](C)(CCC(CC)CC)C1CC1	2300699112	FBCZORDPTSYGJK-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](O)CC[C@H]1C[C@H]2CCC[C@H]1CC2	2301133653	OEHDGGHQZWBZMZ-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CCCCCC1)c1cccc(N)c1	2301238010	BWVILJIASILTHR-ZDUSSCGKSA-N	231.383	4.733	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)[C@H]1CCCC(C)(C)C1	2301699426	YGHXDLXDCZSRRT-KKUMJFAQSA-N	239.447	4.568	0	10	BJAE	
CCC1(C)CCC(O)([C@H](C)[C@H](C)C(C)C)CC1	2301859341	PBMPYDCVEAIZFY-WXLSXGNJSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@H]1CCC(C)(C)C1	2302720850	HVTAJLYTXXSFEG-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CCC[C@H]1CCC(C)(C)C1)NCC	2302751034	OEUZJPJLVCHDHR-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC)CCC(C)=C(C)C1	2303468600	NNNJBMJAAYRYKO-CJNGLKHVSA-N	237.431	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H](C)CC(C)(C)C)CC1	2303597784	UQPMEZCYWDASDX-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCC(C)C)CC[C@H]1CCC(C)(C)C1	2304434639	DXTUWPQYJHCWEF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](CCC)CC[C@H]1N	2307902943	NCSUFHLZHBWSEK-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)CC(N)(CC1CC1)CC1CC1	2307906109	BXVRSSYXFLLZNP-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)C1(C(C)C)CCC1	2307909669	VHUAAUJCALYOQK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309174093	AQGWVAAVMVPMMH-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@H]1C=CCC1)[C@@H]1C[C@H]1C1CCCCCC1	2311525667	AVMYWTNCJWQDIW-CWRNSKLLSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	2311614848	IGHIRTYZKCQKAR-BIVLZKPYSA-N	249.442	4.501	0	10	BJAE	
CC=CC[C@H](NCC)c1cccc(C(C)(C)C)c1	2316541458	GLNJLIFSKOUXJC-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CCCC1([C@@H](N)C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316869993	MLMYCVOGWAWSIH-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1[C@@H](Nc2ccc(C(C)(C)C)cc2)CC1(C)C	2318182076	JJLIIVXBLSAYCJ-WFASDCNBSA-N	245.410	4.831	0	10	BJAE	
O=C(CCCC1=CCCCC1)C[C@@H]1CC[C@H]2C[C@@H]12	2318504030	UIJQVSWWXIGRBD-ZOBUZTSGSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H]2CCC(C)(C)C2)c(C)c1	2319313234	PEIPZVHDUMYSNJ-GDBMZVCRSA-N	245.410	4.520	0	10	BJAE	
CCc1cccc(NC[C@H]2CC[C@@H]2C(C)(C)C)c1	2320320151	LPDSTRFTLLUDGJ-ZBFHGGJFSA-N	245.410	4.733	0	10	BJAE	
CC[C@@H](C(=O)CC[C@@H]1C[C@H]1CC)c1ccccc1	2320347155	WTEPVQRXKLCMSZ-FVQBIDKESA-N	244.378	4.576	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCC[C@@H]2C(C)C)c1	2321091157	IRQDYFVCUUPHLK-HZPDHXFCSA-N	249.373	4.625	0	10	BJAE	
C[C@@H](NCC[C@H]1CCC(C)(C)C1)c1ccccc1	2321536397	AYUYCXDYZKDNNM-HUUCEWRRSA-N	245.410	4.554	0	10	BJAE	
CNC[C@@]1(CC[C@@H]2CCC(C)(C)C2)C=CCCC1	2321617414	VMRIKRGPTKCLRH-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](C2(CN)CC3(CCCCC3)C2)C1	2326700557	YPZBXAIYNQIGDM-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)CCCCC	36791950	AISFHOJUYLDPPX-ZIAGYGMSSA-N	213.409	4.514	0	10	BJAE	
CC(C)c1ccc([C@H](C)NCC2CCCC2)cc1	37257718	SYJRSHDZOACIBN-AWEZNQCLSA-N	245.410	4.651	0	10	BJAE	
CCC[C@H](N[C@@H](CC)CC1CC1)c1ccccc1	70106120	ZJJCYHWZMIZSOY-IRXDYDNUSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@H](CC)NCC[C@@H]1CCC[C@H](C)C1	70538306	IUNVJOGFKROOBV-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC[C@H](NCC)C1	83824954	RNJDIUWBAJTKPL-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC)CC[C@H]1CCC[C@H](CC)C1	83825548	JABDUTSNWJPPKG-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](CNC(C)(C)C)c1ccccc1	88099031	BVCNPORABSGSOH-MRXNPFEDSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](NCCC)c1cc(C)c(C)cc1C	93073880	AKXLWKPPPRPKEA-KRWDZBQOSA-N	247.426	4.843	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C2(C)CCCC2)c1C	94898975	ZQHQYDKJUOXFEG-UHFFFAOYSA-N	244.378	4.683	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)c1ccoc1	94984359	GMIOAMFUDYBYIC-CYBMUJFWSA-N	237.387	4.537	0	10	BJAE	
CCCCC[C@]1(N)CCCC[C@@H]1c1ccccc1	104161225	PPPHRJFABRTEGI-SJORKVTESA-N	245.410	4.622	0	10	BJAE	
CC/C=C\C[C@@H](C)c1ccc(Cl)cc1	107561802	GGBKBHJVMHWIDA-DOGVGXBMSA-N	208.732	4.800	0	10	BJAE	
CCCCCC[C@@H](N)[C@H](CC)CCCC	124754458	QRDHTCLROBECOC-ZIAGYGMSSA-N	213.409	4.501	0	10	BJAE	
CCCCCC(=O)c1cccc(CC(C)C)c1	127659677	GNHSHOFTGKENDW-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@H]1CNC(C)(C)C	129803724	IWNKAAADKSCQOS-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C[C@H](C)CC	133514009	KALRNHLABAQCLN-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
c1cc2c(c(CC3CCCCCC3)c1)NCCC2	148969347	ZRZMZCGHUKVOMN-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
Cc1ccc([C@H](N)CC2CCCCCC2)c(C)c1	161909138	QAAFTMCKBYAULU-QGZVFWFLSA-N	245.410	4.664	0	10	BJAE	
Cc1ccc(C)c([C@H](C)NC[C@H](C)C(C)(C)C)c1	162711860	JKPWJNQECMBYMW-GJZGRUSLSA-N	247.426	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNc1ccc2ccccc2c1	230692161	QBMAWSKAZDASHX-CZUORRHYSA-N	239.362	4.688	0	10	BJAE	
CCC(C)(CC)Nc1ccc(C(F)(F)F)cc1	230964332	IZVZNNCBWGKFEZ-UHFFFAOYSA-N	245.288	4.696	0	10	BJAE	
CCCCc1ccc(NC2CC(C(C)C)C2)cc1	233016183	VRKVAFNUSRMGJX-UHFFFAOYSA-N	245.410	4.876	0	10	BJAE	
Cc1cc(C)c([C@H](O)C2=CCCCCC2)cc1C	235909313	FIMVRKURVVIUNG-QGZVFWFLSA-N	244.378	4.536	0	10	BJAE	
CCC/C=C(/CC)Nc1cccc(C)c1C	238212075	XMZJYMQALRRLTR-UVTDQMKNSA-N	217.356	4.809	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)[C@H](C)C(C)C)cc1	251299583	BHZQVZFNYYYPTL-ZENOOKHLSA-N	234.383	4.526	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1/C(C)=C\CCNC(C)C	251865972	UAUKORZXWYFLNY-BRAFPAACSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(C(C)C)cc1	300585952	OREUYHVBHJVJAO-XKQJLSEDSA-N	245.410	4.649	0	10	BJAE	
CCc1ccsc1[C@@H](O)CCCC(C)(C)C	300848206	KPJRONANCIRNAH-LBPRGKRZSA-N	240.412	4.560	0	10	BJAE	
CCCC[C@@H](CC)CNCCCC(C)(C)C	300945856	WPYGEOVDYMIWTA-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1CCC(C)(C)CC1	302321242	QOCGLRVFVOHBBA-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1ccc(C(C)C)cc1	302487946	ZKSCPYITTUFSNK-BBRMVZONSA-N	233.399	4.636	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)CC(C)(C)C	305899243	ZQULWVDLWUBZQW-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)C[C@@H](C)C(C)(C)C	305910052	HVEGWKXQTSOVQX-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
Clc1ccc(-c2ccc3occc3c2)cc1	309539353	FYMFBEWMTMLOCU-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@H](C)C1CCCCC1	310370253	XNHIQQMBKASDLJ-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)c1csc(C(C2CC2)C2CC2)n1	310541122	QWAXZNUSTRIUSD-UHFFFAOYSA-N	249.423	4.734	0	10	BJAE	
C/C=C\CCN[C@@H](C)c1ccc(CCCC)cc1	310597599	RQZCDXMJEGAYNG-VOKGJARPSA-N	245.410	4.646	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCCC12CCCCC2	313062231	ZGHIAEJIMGWQJQ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(O)CC(C)(C)CC(C)(C)C1	318940055	YWEXJXQRBLBQMM-QWHCGFSZSA-N	240.431	4.636	0	10	BJAE	
CC1CCC(CNC(C)C)([C@@H]2C=CCCC2)CC1	319174975	NKKLHPYZNLOCBM-AQFXKWCLSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(C)C	319521107	FRFGJUJMDJSASN-ZDUSSCGKSA-N	220.356	4.542	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C1CCC(C(C)C)CC1	319797086	IVCWYRMJGHBDKZ-HESLUPGFSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](N[C@@H](C)C1CCCCCC1)C1CCC1	322708416	QFOHUALPMCPZCS-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1	323979256	JQFPHWWFHZYTTA-SVGFKBNWSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)n1ccc2cc(OC(C)C)ccc21	385130153	SLEKIZBRNHYYJD-ZDUSSCGKSA-N	245.366	4.790	0	10	BJAE	
CCCCCC[C@@H](NCCC)c1cocc1C	385404854	XFCQSGGWVCQBOZ-OAHLLOKOSA-N	237.387	4.599	0	10	BJAE	
CC1(C[C@H](O)c2cccc(C3CC3)c2)CCCC1	386501328	ZBLXARCFOBVBEX-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCC[C@](O)(c1ccc(C(C)C)cc1)C(C)(C)C	395326069	WTRGMQBGLXLMKS-KRWDZBQOSA-N	248.410	4.844	0	10	BJAE	
COc1sc2ccc(C(F)F)cc2c1Cl	396289974	PWOLJCFDTANFAD-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C1(CC)CCCC1	405701119	AYYOWIOITPLUQD-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c(C(=O)CC(C)(C)C2CC2)cc1C	405900854	SMCPVSHHHVWVGG-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CC[C@@H](C)c1ccc(NCC2(C)CCC2)cc1	687273177	YTDBWBRBXFYBGI-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)CCCC1CCC1	688423451	SMSMHBGMXQHWMH-IAGOWNOFSA-N	246.394	4.512	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)C[C@H](C)CC(C)(C)C1	688446563	BMPKAESIKBONEP-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](C[C@@H](C)CC(F)F)NCC	688800615	RYOAMYCYWLQQHB-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)CC2CCCC2)cc1	689720079	RSCMESZMVPTTIT-HUUCEWRRSA-N	245.410	4.614	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cccc(C2CC2)c1	690151824	FJKFWQPDTFMUCW-BLLLJJGKSA-N	229.367	4.555	0	10	BJAE	
CCC(F)(F)C(C)(C)CC(=O)C1(C)CCCC1	691001645	URNYWCJKRGQFEY-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1cccc(C(C)(C)C)c1	691649958	HRORNEAJWPJGAY-BBRMVZONSA-N	247.426	4.810	0	10	BJAE	
CC(C)NC[C@@]1(CC2CC=CC2)CCCC[C@@H]1C	692163139	BLOXDIWSCFKVTN-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@@H]2CCC23CCCC3)C1	694330945	OOJYVAIMIABMQK-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCC12CCCC2	694351444	QEFLAFNAHCBKPK-HNNXBMFYSA-N	243.394	4.692	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@@H]2C2CC2)c(F)c1	696102265	CMTAFWPAALEVAX-UKRRQHHQSA-N	247.357	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CNC)CCC[C@@H](C)C1	696799642	MNLWKRWHPQQRJM-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
C/C=C\[C@H](NCC)C1CCC(CCCC)CC1	704655640	INQNKKPSVRMDSE-ZCKRDXENSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@](C)(N)c1ccc2sccc2c1	707672189	UBODOXKIWWDNCW-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CC[C@@H](CC(=O)c1cccc(C)c1C)C(C)(C)C	711185974	YCNIWPHIMQPKDK-AWEZNQCLSA-N	246.394	4.949	0	10	BJAE	
CC[C@@H](C[C@@H](CC1=CCCC1)NC)C(C)(C)C	711197891	ZQZYSLVTWSSDCL-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
Cc1c(Cl)cccc1NCC(C)(C)C(C)C	713128876	HSRWDHMPUCZLCZ-UHFFFAOYSA-N	239.790	4.743	0	10	BJAE	
Cc1ccc(C)c(C(=O)CC(C)(C)C(C)C)c1	713364773	FTIRDGVDQGBWFW-UHFFFAOYSA-N	232.367	4.558	0	10	BJAE	
C=C/C=C\CCC[C@H]1CCCCC1(F)F	713701193	NYEOBKAZORKDPX-MVZIDQBPSA-N	214.299	4.724	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C1CC(C2CC2)C1	714400603	QIJBIOASBJMMGA-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714425893	UNWBDSWHEAQQIK-QLFBSQMISA-N	236.399	4.598	0	10	BJAE	
CNCC1(CCCC(C)(C)C)CCC=CCC1	718105712	VZQMXMPQTIINFF-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCCCC[C@@]1(C(=O)O)CCC=CCCC1	719082301	CMDOGCAQNXRFAW-OAHLLOKOSA-N	238.371	4.548	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC1C[C@H]2CC[C@H](C1)C2	719290119	HIPGEAAZOXZOPY-OFQRWUPVSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CNC2(CCCCC2)[C@@H]1C1(C)CCCCC1	721041218	KDMXFWGYTYFJOY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2CC2(C)C)CC1	722679680	KDAXOROGNPILHO-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](N[C@H](C1CCCC1)C1CC1)C1CCC1	723959757	LICASQPMQDDJTJ-IAGOWNOFSA-N	249.442	4.514	0	10	BJAE	
CCCCCCN1CC[C@H](C)c2ccccc21	1167911205	CXSCYBSWKQBTOR-AWEZNQCLSA-N	231.383	4.581	0	10	BJAE	
C[C@@H]1CN(C[C@H](C)CC(C)(C)C)c2ccccc21	1473570306	RGTGBEGRNXMFGQ-ZIAGYGMSSA-N	245.410	4.682	0	10	BJAE	
CC(C)(CNC1CCC2(CCC2)CC1)C1CCC1	1474149509	NXNWWMCTXMWFSO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCCC(C)(C)C(F)(F)F	1885365652	OXORVUVZBXEWSM-UHFFFAOYSA-N	208.267	4.711	0	10	BJAE	
CCC(C)=CCN(Cc1ccccc1)[C@H](C)CC	1887952790	FZTAOYKQWREWMI-MRXNPFEDSA-N	245.410	4.643	0	10	BJAE	
CCC(C)=CC[C@@H](N)C[C@@H](CC)C(C)(C)C	1900885875	SWZUDDMTIFZHAK-ZIAGYGMSSA-N	225.420	4.523	0	10	BJAE	
CCc1ncsc1-c1cccc2sccc12	1901569422	DBCBLUMTWYFRLJ-UHFFFAOYSA-N	245.372	4.587	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)C(CC)CC	1905433441	GSJVVYMUSQNJQK-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(NCC2[C@@H](C)[C@@H]2C)cc1	1909347378	ZMQQAFVYMNWETQ-AVGNSLFASA-N	231.383	4.514	0	10	BJAE	
CC(C)(CC=Cc1ccccc1)CNC(C)(C)C	1911921270	CLQSLNCUSAPTNV-UHFFFAOYSA-N	245.410	4.504	0	10	BJAE	
CC=CC[C@@H](CC)c1cc(C)cc(C)c1	1911942329	DCCDTSXMXREAFS-CQSZACIVSA-N	202.341	4.763	0	10	BJAE	
CCCN[C@@H]1CCCCCCCC[C@H]1CCC	1913396449	UVZXFIHRKXLIKH-HZPDHXFCSA-N	239.447	4.905	0	10	BJAE	
CCC(C)(C)C[C@@](C)(N)c1ccc(C(C)C)cc1	1920438363	PBZGBCLXGDYALX-QGZVFWFLSA-N	247.426	4.810	0	10	BJAE	
CCCc1ccc([C@@](C)(N)CC(CC)CC)cc1	1920481046	HTYQINGDSTUDAE-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@H](C)C2CCCC2)C1	1924139635	RLXVIQLMHIRGMX-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C(=O)C[C@@H]1C=CCCCC1)C(C)C	1925774232	LQSHUNFUPXZEFY-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
Cc1cc(F)c(C[C@H]2C=CCCC2)cc1Cl	1925881920	LYRFZPQJMFZQIQ-NSHDSACASA-N	238.733	4.686	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)CC2CC(C)C2)cc1	1926945400	NEYUGXROSNDUBP-NHMAURGWSA-N	246.394	4.670	0	10	BJAE	
Clc1cccc(C=Cc2ccccc2)c1	1933230240	LLSLQJAZJCNYQW-UHFFFAOYSA-N	214.695	4.510	0	10	BJAE	
C[C@H](C[C@H](O)CC1(C)CCCCC1)C(C)(C)C	1940411812	YJIBCPWYZZFXQZ-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCCC[C@H](O)CC[C@@H]1CC1(C)C	1940863967	QJBSBIYYIGIGNT-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](C[C@@H](C)C(C)(C)C)NC	1941266303	CZFLRQZPUASHQL-KFWWJZLASA-N	241.463	4.719	0	10	BJAE	
CCC[C@@](N)(CCCC1CCC1)[C@@H]1CC1(C)C	1941463573	IJDZFMAZONKWSC-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)CCCC1CC1	1941587323	RFGMJGVSXXKANS-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)C1(C)CC(C)(C)C1	1941990099	USPVDQVIZGSOGI-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H]1CCNc2ccccc21	1942664116	WBOBQLTYCBMUCX-ZIAGYGMSSA-N	231.383	4.658	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@@H](C)C1CC1	1944518849	YSFYRNJKUPXFTA-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)C(C)(C)C1CCCCC1	1944665602	HNZFPSSRWFOYPH-HIFRSBDPSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	1947856573	GPXURCXKYODBNI-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H](C)CC(C)(C)C)C1	1948408692	HHJODHBEUFDJIK-FUJMWEONSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@@H](CCC2CCCCC2)C[C@H]1O	1949681929	XIXZWBLVJTVJAJ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC1=CCCCCCC1)C(C)(C)C	1949831819	SLCATDQOSGKVCQ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)[C@H]2CCCC(C)(C)CC2)C1	1950915067	WWLFRWKBHPWRPO-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@]1(CNC(C)(C)C)CCC[C@H](C)CC1	1950924023	JRUOVTHCTRIVMM-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCCC2(C)CC2)CC1	1950930144	MWDQDBZPTXDYQI-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCCC1CC(N[C@H](C)c2ccccc2C)C1	1968413494	GBEQROHECWJTBA-QQFBHYJXSA-N	245.410	4.614	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1CC2(C1)CC(C)(C)C2	1968858394	BGIPAFCOYPXEHD-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)N(C)Cc1ccc(C(C)C)cc1	1971404338	CHJXFPIUUHGIDC-OAHLLOKOSA-N	247.426	4.821	0	10	BJAE	
CCCSc1ccccc1NCC=C(C)C	1975970225	ZDNGOOPKEDOXDQ-UHFFFAOYSA-N	235.396	4.567	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2(C)CCCC2)s1	1978449857	GMYGVWDPSMRSTB-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCC(C)(CC)C[C@@H](N)c1ccccc1Cl	1980684679	JOKMECZGDLBUKU-CYBMUJFWSA-N	239.790	4.556	0	10	BJAE	
CCC[C@H](C)C1(N)CCC(CC)(CC)CC1	1981061110	QRESIXIXCZSKSF-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](c1nc(CC2(C)CC2)cs1)C(C)C	1995469307	IZIZHJGERAMJKM-LBPRGKRZSA-N	237.412	4.635	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC2CCCCC2)CC1	1997101071	WEPFFACIALKIPE-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCC(=O)c1ccccc1C1CC1	1997738916	RCRUFEAENZDDDQ-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CN[C@@H](CCC(C)C)C[C@H]1CCC=CCCC1	1999991933	SICJSAAZINAEFV-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)NC[C@H](C)CC[C@@H]1CCC=CCCC1	1999994840	YRZSBTISEWRIOK-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@@H]1CCCC(F)(F)C1	2000019642	GASXMPDMOCASFA-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@]2(O)CCCCC2(C)C)C1	2000029195	WVBKLGBMOCDWKF-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCCC1CC1)CCC(C)=C(C)C	2000381091	AOGXUHSCWOZSRH-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC1CCC([C@](C)(O)CCC(C)C)CC1	2002923682	BWUWVGJWFGZRQF-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2C=CCCC2)C1	2002993338	KDJKVAIXECTXIP-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](C(=O)C[C@@H]1CCC2(CC2)C1)C(C)C	2003273116	OLBUZWXOZYVSIE-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCN(C)[C@H](C)[C@@H]1CCCC(C)(C)C1	2004161261	YGVZHDULNKGSGV-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCC1(CC)CCC(O)(CCC(C)(C)C)CC1	2004339932	VEQDRCVTUWDMEJ-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](CC)NCC1(C)CCCCCCC1	2004936820	FWOWQSXWTZMDLC-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CCC[C@@H]2C)CC1	2006717187	HTNXGJDGPTZZKP-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCCC(=O)C1(C2CC2)CCCC1	2008483836	TZMHLCDBYJSJCB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H](CCC)C(C)C	2009615770	BSVIJRXWJRYXDS-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C1=CC[C@H](C(C)C)CC1	2010720283	WTLJLGGBQQLIGG-OFQRWUPVSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)C1=CC[C@@H](CC)CC1	2010721101	ZAHOHOXUMBMBCU-LZWOXQAQSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCCn1ccc2ccc(Cl)cc21	2011565329	KLOWHQVRHSRHBW-AAEUAGOBSA-N	247.769	4.731	0	10	BJAE	
CCC1CCC(N[C@@H](C)C2(C)CCCC2)CC1	2014341184	WYVZKRRDPSGYGR-NFOMZHRRSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@]2(O)CC(C)(C)C[C@@H]2C)CCC1	2015639641	IXRVWMQQIHRIIM-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)c1csc(C2(CC3CC3)CC2)n1	2015748151	YYRPSSSIECUBRX-UHFFFAOYSA-N	249.423	4.662	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C1=CCCCCCC1	2016116920	IRDZPLDDWWIJNA-MRXNPFEDSA-N	235.415	4.731	0	10	BJAE	
CC[C@H](CC(=O)C[C@@]12CCC[C@H]1C2)C(C)(C)C	2016447933	RVCLTXIJEKITHC-WWGRRREGSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(CC[C@H](NC)C(C)C)CC1	2017730146	DPMAHDLFKSINBB-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCC(C)(C)C2)CC1	2017731402	RASQMMWNYRGTCF-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)[C@@H]1CCCC(C)(C)C1	2018130039	MKXNFELZQJYGDI-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1CCC(F)CC1	2018131509	OMYQYEWIHKIFED-NRXISQOPSA-N	243.410	4.593	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC[C@@H]1CC(C)C	2018137597	XMKAKXVPWLSZFV-PMPSAXMXSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CCCC(C)(C)C	2019326658	XKMJKNYXLSMEKW-HNNXBMFYSA-N	241.463	4.959	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H]1CCC[C@H]1C	2020535500	ICFGRGPRRFRFJK-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1(CCC)CCC1	2020973213	CZHVHXMEGIRAFH-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2CCCCC(=O)C2)C1	2024091951	MNSBHSCCZUTKNI-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CC)CC1CC(C)(C)CC(C)(C)C1	2024092040	NLVPCVZVPYCENO-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](O)C[C@@H]2CCCC(C)(C)C2)CC1	2024126946	ZKGBTUYXBFRLRR-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CSc1cccc(N[C@@H]2CC[C@@H](C(C)C)C2)c1	2025575277	SYQXCVIKJBCDLA-TZMCWYRMSA-N	249.423	4.645	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H]1CC[C@@H](CC)C1	2025611944	GHUNUCORLBYYDK-PMPSAXMXSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@@H]1CCCC[C@@H]1C	2026166743	MCTMSKVSOZIUJE-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)N[C@H]1CCC12CCCCC2	2026839365	JUQCJOWZEBWYQL-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)CCC[C@H]1CC1(C)C	2027836861	MSUAUCUAUALYPO-HOCLYGCPSA-N	245.410	4.506	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CCC[C@@H]2CC2(C)C)c1	2027842399	IHKWGJULUQJBGJ-HZPDHXFCSA-N	246.394	4.553	0	10	BJAE	
CCC[C@@H](C)C(=O)c1ccc(C2CCCC2)cc1	2031747295	VPIMGANZNDYNHY-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
CCCN[C@H](CC1CC1)[C@]12CCCC[C@@H]1CCC2	2031755591	WZZISEBKJBWROL-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)[C@]12CCCC[C@H]1CCC2	2031756384	CNBAYUJKNXXZQD-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@H]1CC12CCC2	2032130773	COUDGFRDAHHBBY-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)c1cccc2ccccc12	2032268604	KXDMFFBVFUQWPH-INIZCTEOSA-N	242.362	4.555	0	10	BJAE	
C[C@H]1CC(NC2(C3CCCC3)CCC2)C[C@H](C)C1	2033048027	FOBDXIHBBAZARL-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C1CCCC1)C1CC1	2035403175	IAZRMOHWLFXGRF-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
N[C@@]1(C2=CCCCCCC2)CCCC[C@H]1C1CC1	2037074276	ISKOXZNVHZCBPF-DLBZAZTESA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)[C@H]1CCC2(CCCC2)C1	2037591150	ZUNUQAZDYYGOLL-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc([C@H]3CCCC3(C)C)[nH]c21	2038008040	VDRJWHDMLUYJBD-GRYCIOLGSA-N	246.398	4.704	0	10	BJAE	
CCCC1CCC(NC2C[C@@H]3CCC[C@H]3C2)CC1	2038621120	DPGCDRQNUMZNRT-PYBGIAKNSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@@H](N)CCC1CCCCC1	2039436497	PXRQNSQTWJMYQO-HYVNUMGLSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@H]1C(C)=CCC[C@@H]1C	2039439918	BMEWHPVTJBQBRK-QEOTZNIISA-N	249.442	4.523	0	10	BJAE	
CN[C@@H]1C[C@H](C2(C)CCCCC2)C12CCCCC2	2039843464	JVRULLBXAGEYCP-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CC2=CCCC2)CCCC2(CCCCC2)C1	2040765133	MKHLRWUTOZQYBW-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC1(C)CCC(N)(C[C@@H]2CCC=CCCC2)CC1	2045317617	NIGDVKGVWHNJKP-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C[C@@H]1C=CCCC1	2045997084	HUNZNNIBFPUPED-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@H]1CC12CCCCC2)C1(C)CCCC1	2047010004	GHPOZLCDJIKFAA-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@](C)(CNC1CC1)C[C@H]1CC12CCCCC2	2047012984	SAWKXYJFDUMTHT-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@H]1CC12CCCCC2)C1CCC1	2047054333	CQAVINJJAUZEBY-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@H]1[C@H]2CCCCC[C@H]21	2048447041	PNDYNHYUABYHKE-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@H]1[C@H]2CCCCC[C@H]21	2049704316	MFEZKDXQJVDXAL-LVQVYYBASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)CC1(C)CCCC1	2049790889	KCWQPWJLODBRLN-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C[C@@H]1CCC2(CC2)C1	2049848299	IHXNSHXFUVWFJW-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2CCC3(CC3)C2)C1	2049947711	IZTYHNAHSCOZSN-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C)(CNc2ccc(C3CC3)cc2)C1	2050106174	VZSBRRMJNAGYKZ-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
Cc1cccc([C@@H](O)C[C@@H]2CCCC(C)(C)C2)c1	2050431778	SNEPJXVIFIPDKA-HOCLYGCPSA-N	246.394	4.635	0	10	BJAE	
CC1(CCN[C@@H]2CCCCC23CC3)CCCCC1	2053328769	VSOBHMJUWMBCQY-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC(C)NC[C@]1(CC2CC2)CCCCC12CCC2	2053355132	AHUDHHQBQIAMBY-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@H]1CCCCC12CC2	2053415553	JSTSZOPOVKZDSC-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@H]2C=CCCC2)CC1	2056538553	XRALKHSIFCJGJQ-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
O[C@@]1(C=C2CCCCC2)CCCC12CCCCC2	2056855049	DMJDMKHGKMMEOI-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CCCCCC1CC(N[C@H]2CC[C@H]3CC[C@H]2C3)C1	2059395221	IDDDNZFFTWNTIL-XRQWDYAESA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC=C(CC(=O)c2ccc(F)cc2)CC1	2061197371	VZKWPYKLMRRITJ-GFCCVEGCSA-N	246.325	4.535	0	10	BJAE	
CCN[C@H](CC(C)(C)C(C)C)C1CC(=C2CC2)C1	2061646353	FDYJPMBHSOYTBS-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063536524	TXXKMDGGXGIJDL-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC(C(C)C)C(C)C)c1ccccc1	2069008969	QHZFHVBCFSLWTB-QGZVFWFLSA-N	247.426	4.656	0	10	BJAE	
CCCC1(C[C@H](NCC)C2(C)CC=CC2)CCC1	2069336221	XMUINFWDRBTARD-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1[C@@H]2CCCCC[C@@H]12	2070400685	XHWJCBZVQWOGLJ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@H](Nc1cccc(C2CCC2)c1)C1CC=CC1	2070808513	RGVPANZVTKXOTH-ZDUSSCGKSA-N	241.378	4.721	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@]23CCC[C@H]2C3)c2ccccc2N1	2070871809	YWGAPAOIGPRTAX-VWPFQQQWSA-N	241.378	4.555	0	10	BJAE	
CC(C)(C)C1([C@@H](N)C[C@H]2CCC3(CC3)C2)CCC1	2071936454	NDJMKMHFNLHAHP-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@H]2CCC23CCC3)CC1	2072792550	BDHBRYGKUJZQNA-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCCC(C)=C2C)CC1	2072822610	WJFMEIZLEZOMGE-ULQDDVLXSA-N	249.442	4.811	0	10	BJAE	
CCCCC[C@H](CC)Nc1cccc(N(C)C)c1	2073346036	KTUUYRSZOOVCRR-AWEZNQCLSA-N	248.414	4.523	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)N([C@@H]2C=CCCCCC2)C1	2074798417	AMWMBXCWYTWITB-GVDBMIGSSA-N	249.442	4.632	0	10	BJAE	
C1=C[C@H](N2CCCC[C@H]2C2CCCCC2)CCC1	2075082970	VBSAOYIHXZTDSE-IRXDYDNUSA-N	247.426	4.530	0	10	BJAE	
CCCCc1ccc([C@@H]2CCC[C@@H](CC)N2)cc1	2077917734	FTSLWBKHMHNBLN-SJORKVTESA-N	245.410	4.622	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CCC3(CC3)C2)cc1	2078346759	KQKPUYFJVDTHCH-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1C[C@H]1C1CCC1	2079330777	ABIQWKVUUBJUHW-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCC1CCCC1)[C@H]1C[C@@H]1C1CCCCC1	2079830389	ARVFZRXTTUSNIB-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)C1CC(=C2CCC2)C1	2079855683	ZMFPXZSVOQDWGK-UKRRQHHQSA-N	246.394	4.518	0	10	BJAE	
Cc1cc(C)c2[nH]c([C@@]34CCCC[C@H]3C4)cc2c1	2083310295	XKVSAWMYUUSEOX-WMLDXEAASA-N	239.362	4.616	0	10	BJAE	
C(CCCCC1CC1)=C1CCCNC12CCCC2	2083812360	NODWJKOFGWWCRF-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
Cc1cc(C)cc(C/C=C/c2ccccc2)c1	2213824739	KMRGAFYJJGKGRD-RMKNXTFCSA-N	222.331	4.559	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)c1csc2ccccc12	2215064716	QIRTWIJHIRVHMH-GHMZBOCLSA-N	244.359	4.520	0	10	BJAE	
CC[C@H]1C[C@@H]1CC[C@@]1(O)CCC[C@@H](CC)CC1	2215236506	KCMXLZRHPUBZLM-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC1(N)CCC(C)(CC)CC1	2215250935	NXIVUJPJOHFVGL-WXLSXGNJSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)CC2CCCCC2)C1	2215392425	FCYHMMKYDKTGAV-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCCC(F)F)CCC(C)=C(C)C	2216406077	MKOGVSDGSRRNRJ-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CC=CCCCNCCCCCCCC1CC1	2216892514	CYEYNADFAXYLET-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN([C@@H]2CCC(C)(C)C2)C1	2218154598	CEVQMFGLRILFCP-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
C[C@@H](C[C@H](O)CC=Cc1ccccc1)C(C)(C)C	2219062517	NGEQXCMYFLKYHY-GOEBONIOSA-N	246.394	4.523	0	10	BJAE	
CCCc1cccc(C/C=C/c2ccccc2)c1	2219075935	JJOBOPKIGAHMQC-IZZDOVSWSA-N	236.358	4.895	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)c1cc(C)c(C)cc1C	2220983084	AWRARYCSSYIZFI-LSDHHAIUSA-N	244.378	4.621	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)CC2(C)CC3(CCC3)C2)C1	2221015143	VKVWHNWFUDXQEQ-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@@](C)(NCC(C)(C)C2CCCC2)CC1	2221605285	QVQYZVMFCREXOY-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2CCCCC[C@H]2C(C)C)CC1	2221661711	OCOSTRYZAPNGJV-YESZJQIVSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NCC2=CCCCC2)C1	2222257935	LNXZIOKUXMUUOA-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@@H]1C(=O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222982584	UBVYMTOEDWTLAQ-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cnn(CCCCCCCC2CC2)c1	2223110117	QUQLLWRQAQNULZ-UHFFFAOYSA-N	248.414	4.757	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CC2(C)CCCC2)C=CCC1	2223598343	UGAOPNFXBXHJPX-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](CNC2CCC2)([C@@H](C)C(C)C)CC1	2223605373	YBFCEHIOMSLGTR-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc([C@@H](O)C[C@H](C)CC)s1	2242605038	NTKJJYIQBDFENF-YPMHNXCESA-N	240.412	4.560	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNc1ccccc1Cl	2243029432	DRJJODYZOLZTNO-VXGBXAGGSA-N	237.774	4.578	0	10	BJAE	
CCCCCC(=O)CCCCC[C@@H]1C[C@H]1C	2243885839	PMMFQKHKFIDJHC-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
CCC(CC)C(=O)CCCCC[C@@H]1C[C@H]1C	2243886936	ZCKBIHSKECPJBM-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](N)CCCCCC[C@H]1C[C@H]1C	2243886997	ZTQOWEGVQCLSPG-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)CC1(C)CC(C)C1	2246453299	CEKMQPYDAGQVOY-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC(=O)CC[C@H]1CCC[C@H](C)C1	2246659155	GOTKHXHGRQQFTJ-DZGCQCFKSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H]2CCCCC[C@H]2O)C1	2246710222	SJXNFFKIZRMCEG-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)NCCCCC[C@@H]1C[C@H]1C	2248869051	FQFUCFWSVPAWAV-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C(F)F)[C@H](C)CC	2250108077	NZMGJHZKJSELCE-AGIUHOORSA-N	249.389	4.615	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC[C@H]1CCC[C@H](C)C1	2250361330	LQUSECMYQPHIRN-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
CCCCN(CC)CC[C@H](C)CCCC(C)C	2250476861	QUKXAJYMAOSEFL-MRXNPFEDSA-N	241.463	4.961	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(N)C1(C)CC1	2250477026	SMIMOBFRWHIUCM-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2251220260	XLUOZHTWUJWVIP-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCCNC23CCC3)C1	2253975187	YNPPGLYJCGMVIH-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(NC2CC3(CC(C)C3)C2)cc1	2254160038	VXQCHYQPADDOMI-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1(N)CCC(C2CC2)CC1	2254591148	LNEVWCVOCSYLJQ-PXZKZTPFSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CCC2(C)C)CC=CCC1	2255012656	JHULPMYXJQGDMD-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H](N)C[C@H]1CCCCC12CC2	2255014192	PQSCQODLMAVMDJ-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
O[C@H](CC1=CCCCC1)[C@]12CCCC[C@@H]1CCC2	2255099439	JTSLKFGTMVOQGT-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CC1=CCCCC1)[C@@H]1CCCCC12CCC2	2255134223	TXHLZHIEUONFGE-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@H]1C)C1(C)CC=CC1	2257304334	AXUXXTFOYLCLPG-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1CNC[C@H](CC)CCC	2259470320	JUGNFGUACJINJM-OAHLLOKOSA-N	247.426	4.555	0	10	BJAE	
CCC1([C@H](N)C[C@@]23CCCC[C@@H]2CC3)CCCC1	2260582965	MEMNOYHBJVYLAQ-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCC1CC(C)C1)CC1=CCCC1	2261501293	IWLVTLPQYNHKPN-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC(=O)C(CC1CC1)CC1CC1	2298934670	BRDGZNHDNUSKNA-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@]12CCC[C@@H]1CC2	2300506124	VDECWSWREZKAQC-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCC(=O)c1ccc(C(F)F)cc1	2300872794	SQJFPZOXMYPYMG-UHFFFAOYSA-N	238.277	4.553	0	10	BJAE	
CCCC[C@@](C)(CC1CCCCCC1)C(=O)O	2301135954	QVDLVILGAUCBBG-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@H](CC2CCCCCC2)C1	2301247896	UWXBXJKPTIYTAG-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc2ccn([C@H](C)[C@@H](C)C(C)C)c2c1	2301833334	QOLHMJLFTUVLDF-UONOGXRCSA-N	229.367	4.803	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@]1(N)CCCC(C)(C)CC1	2301844057	NNUKPKQJIBYJQL-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1NC1CCCCCCC1	2303396209	CVJZOACQZWNQOA-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CN)CCC(C)=C(C)C1	2303580360	TVBOJCQFCWBLJL-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)CC[C@@H]1CCC(C)(C)C1	2304418020	KWEFCGUUZVEXMA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1cccc(C)c1C	2307846927	WEOMEDUUULXZSV-ZBFHGGJFSA-N	234.383	4.553	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC(C)(C)CC[C@H]1NC	2307901721	IYOFNULDZOYWJQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC[C@@H]2C[C@H]2C2CC2)CC1	2308415097	WLXJMBRAJQYMMN-PQEBFOHHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCC[C@@]12CCC[C@@H]1C2	2310376631	VQNNZBBSKWXUIT-YLFCFFPRSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@@H]1C[C@H](C)Nc2ccccc21	2311571937	UDEQGUAQWDRGBK-AYDFFVQHSA-N	243.394	4.657	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)C[C@@H]2CCCC[C@@H]21	2313034770	UUXRXJYWQSQPER-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)[C@@H]1N[C@@H]1CCCCC12CCCCC2	2316594597	LATIKBZBOZDGPE-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@H]1C[C@H]2CCC[C@H]1CC2	2316696740	CXXDDBQTIJBLLS-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@@H]2[C@@H](C)C[C@H]2C)cc1	2316714093	CZTXRFIMUDJEON-OEUWWYETSA-N	245.410	4.505	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316744280	MQUKPDMCKAHUJO-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)CC1CCC=CCC1	2317900707	HPVSHRVPCRNTBZ-KRWDZBQOSA-N	247.426	4.731	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1C=CCCCC1	2317914626	DVODJRDOOAVZIT-AWEZNQCLSA-N	247.357	4.860	0	10	BJAE	
CCNCc1cc(C(C)C)cc(C(CC)CC)c1	2318387334	LSGKQNKCCQPWKS-UHFFFAOYSA-N	247.426	4.823	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@@H](C)C1CCC1	2318587796	VWQZRPAWIUJXFK-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2318937855	DNMCQVKHQSFIRY-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1N[C@H]1CCCC2(CCC2)C1	2320145493	ZOHQFYYQDNVQBT-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)Cc1cccc(C(C)C)c1	2320625681	ATZRCTJTJLPHJY-WBVHZDCISA-N	248.410	4.540	0	10	BJAE	
CCC[C@H]1C[C@H]1[C@@H](N)c1cc(C)ccc1C(C)C	2327706656	BVFNPLLYNPTTEC-YSVLISHTSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc([C@H]2C[C@@H]2C)o1	2328305919	DUDPLEWEOKRGRG-AVGNSLFASA-N	248.366	4.802	0	10	BJAE	
CC(C)c1ccc([C@H](N)C(C)C)c(C(C)C)c1	21050134	ZJHFFPYPTJPFTG-MRXNPFEDSA-N	233.399	4.589	0	10	BJAE	
CCN[C@H](CC(C)C)c1ccc([C@H](C)CC)cc1	35544276	PHNJFPPIEYFHTP-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(C)c(O)c1C	37130472	XJVXGEYVHYEYEA-BXUZGUMPSA-N	249.398	4.636	0	10	BJAE	
C[C@H](Nc1cc(Cl)ccc1Cl)C1(C)CC1	37467569	QTEZZRSUVRGJCE-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
CC[C@@H]1Sc2cscc2S[C@H]1CC	39102980	HQLCDYKEPBBYFO-YUMQZZPRSA-N	230.423	4.503	0	10	BJAE	
CC(=O)c1oc2cc(C)cc(C)c2c1C(C)(C)C	77071432	DFJMWGURURLUJA-UHFFFAOYSA-N	244.334	4.550	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@@H](C)CC)CC1	83437366	LMXQELFRKYXUQZ-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CC1CCC(C[C@H]2CCNc3ccccc32)CC1	85082002	TUKCYMZHXIGFHZ-YMAMQOFZSA-N	243.394	4.802	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](O)(c2ccccc2)CC1	86961498	ZIVFINHPAOCHDA-YOEHRIQHSA-N	246.394	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](O)c2ccc(C(C)C)cc2)C1	88014058	HRSGSFYXGKRASC-XOKHGSTOSA-N	246.394	4.670	0	10	BJAE	
Cc1cc(N[C@H]2CCCCC2(C)C)ccc1F	94279417	MVEHEFLJIYKZFS-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CC(C)c1ccc([C@]2(N)CCCCC2(C)C)cc1	94279458	QUJIBZQGUNSYCF-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1CCCCC1(C)C	94323875	RGYMJLSVVNLKNI-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc([C@H](C)NC2CCCCCC2)cc1F	94836654	VZSBDPPPLDCLMV-ZDUSSCGKSA-N	249.373	4.508	0	10	BJAE	
CC(C)Cc1ccc(CNc2ccsc2)cc1	94896572	NGLSHZXMCQMQDU-UHFFFAOYSA-N	245.391	4.559	0	10	BJAE	
COc1c(C)cc(/C=C/c2cccs2)cc1C	96347796	PTSNVPHZYHFONX-VOTSOKGWSA-N	244.359	4.544	0	10	BJAE	
CCCCCCC(=O)c1cc(CC)ccc1CC	97467775	FETCKNUMNGZAPA-UHFFFAOYSA-N	246.394	4.965	0	10	BJAE	
CC/C=C\C[C@@H](C)c1ccc(OC)c(Cl)c1	107535864	QGPNIDZZAOZSIS-ISALQUGTSA-N	238.758	4.808	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1cccc2ccccc12	109742159	PIGNYZWEVABIEL-DYVFJYSZSA-N	241.378	4.666	0	10	BJAE	
Cc1cc(C)c([C@H](C)NCCCC(C)C)c(C)c1	109921012	NQXYNWNKEYIHGQ-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CCCCCC1(CNCC(C)C)CCCCC1	110465053	DWZBJPXLVUBTGS-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)[C@@H](C)NCc1cc(C)c(C)cc1C	111665033	PBPNIIWHPHGNEW-OAHLLOKOSA-N	247.426	4.526	0	10	BJAE	
CC(C)(C)Cc1cc(Cl)ccc1Cl	115823303	PBMSGTLSGAQXBO-UHFFFAOYSA-N	217.139	4.582	0	10	BJAE	
CC(C)C[C@]1(CC2CCCCCC2)CCCN1	124246141	CJXNNIGQGDEXNQ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)C1CCCC1	133213759	GXKWVQWFVFWFNV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C[C@@H](C)CC	133513655	KALRNHLABAQCLN-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccc(SC(C)(C)C)cc1	144358437	SMZXKQILJLMVDL-UHFFFAOYSA-N	208.370	4.701	0	10	BJAE	
CCCCC[C@H]1C[C@H](C)CC[C@@H]1CNCCC	155946181	SQDLDVSWLOFCIX-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
C[C@@H](N[C@H]1CCCC[C@H]1C(C)(C)C)c1ccco1	160773755	UBPLTZURMZMLER-MCIONIFRSA-N	249.398	4.535	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C1CCCCCC1	161369918	JXQHMDDEVDHCNI-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCC(CCC)[C@@H](NC)c1cccc(C)c1C	163462486	TVUCQOFDYFPZET-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CC(C)[C@H](CNC(C)(C)C)C1CCCCCC1	167932848	NCQIXXDGUUHGFR-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCCCCCCC(C)(C)C1=O	204876543	FBPKDEZBBFYTQW-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](CC[C@@H]1CCC[C@@H](CC)C1)NCC	227172695	XNVGMYOTHXXXFD-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCN[C@@H]1CCCC[C@H]1C1CCCCC1	228838730	QIBSAGKMCLFNCY-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)CCC1CC1	229558237	OYDLYZUELACTFK-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H](c1ccccc1)C(C)C	229624919	ULBIVAMDDVNSAX-PVAVHDDUSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCC12CCCCC2	230162121	JOAWCAJFVLTNND-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CC(C)c1ccc(-c2ccc(N)cc2Cl)cc1	232181746	GTJKEWSSKMKPJW-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CCC1(CN[C@H](C)c2cc(C)ccc2C)CCC1	233092558	NXDAYZDDCYXITM-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2C[C@H]3CC[C@H]2C3)CC1	251855706	SFLAVUBTWUWBFV-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2	252896513	BREYHCVAJJBAGH-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC1(C)O[C@H]1c1ccc(C2CCCCC2)cc1	259461283	WTESMRFOMHOFSP-HNNXBMFYSA-N	230.351	4.584	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCCC(C)(C)C)C1	300810390	FTCLSVUGSJJQDE-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(S[C@@H]2/C=C/CCCCC2)ccc1N	302542780	YVTAAPAYBSUQIS-VUDGCMKMSA-N	247.407	4.558	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@H](CCC2CCCC2)C1	305895098	DFIURRHNLKUSFO-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
O[C@@H](CCC1CCCC1)C1CCCCCCC1	305897734	RINIETDXUWOWCR-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
Fc1cc(Cl)c(C(F)F)c2ccsc12	307429013	ILIRYSVNQFDVRB-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1c(C)cc(C)cc1C	308101330	FTOXQMTXDLSMOJ-HNNXBMFYSA-N	246.394	4.867	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC1(C)CCCC1	309408027	VFQKXEFMTSALFJ-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)CCCC(C)(C)C	309993120	YWYPKKFGSBCVIS-KAMYIIQDSA-N	239.447	4.927	0	10	BJAE	
CCC[C@@H](Nc1ccc(CC)c(C)c1)C1CC1	310294394	KXKYDEHQQKPSRO-MRXNPFEDSA-N	231.383	4.548	0	10	BJAE	
CC(C)c1ccc(NCC2(C)CCCC2)cc1	310514765	KSHLESQBRNIUKL-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
C[C@@H](CNC1CCCCCC1)C1CCCCC1	310556372	IJMVPSNSGMQZRF-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](NCC1(CC)CCC1)c1cccc(C)c1	310692195	OEMBUQZWXFFFCP-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
Cc1ccc([C@H](N)C[C@@H]2CCC[C@H](C)C2)c(C)c1	310821814	BSROVSVLLAFMGG-XGWLTEMNSA-N	245.410	4.520	0	10	BJAE	
CCc1ccccc1OC[C@H](C)C1CCCCC1	311228837	SDABKJUWEDHPON-AWEZNQCLSA-N	246.394	4.844	0	10	BJAE	
CCC[C@@](O)(CCCC(C)(C)C)C1CCCC1	313415503	AGWAIQCBEYQHDO-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(CNC(C)C)([C@H](C)CC)CC1	318139454	YHZDIFSLYISPKZ-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@H](N)[C@H](C)[C@H](C)CC)CC1	319528944	FBRZTHHWDCADQY-BKAAIYKLSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)[C@H](C)NCC/C=C\c1ccccc1	323889649	VGGQFXQFOZQZOZ-CTXBLAANSA-N	245.410	4.504	0	10	BJAE	
CC(C)CCCCC[C@H](C)C[C@H]1CCCCN1	383158855	PSEMXDUUMKIXNV-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@@H]1C[C@@H](C)CC[C@@H]1CN	383214259	QKAGOBUPPDXQKI-ARFHVFGLSA-N	239.447	4.604	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCC[C@H]1C	383229201	TWIZKHPADNZEGV-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)CCC1CCCCC1	384580895	XCNMIACPSNBWCH-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccc(F)cc1Cl	384670564	XVVLHYFTIAJHAI-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)c1ccc(C)o1	386327702	JMUHMVJFGHWROE-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@H]2CC23CCCC3)CC1	386934452	SFYZNRCNAPLUHP-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](CC)C1CCCC1	387543994	PWQJUMMCCXISKI-GDBMZVCRSA-N	239.447	4.904	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H]1CCCC12CCCC2	392787249	JUAPYNWCENBZIL-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNCCCCC(C)C)C1	394580070	UYLMVVNBAWJBMB-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@@H]1CCCC[C@H]1C	394983271	HBDAZWWTVXTXBL-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCOc1cc2sccc2c(C(F)F)c1C	396235154	FMEJYJUNFWVQCH-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
Cc1cc(S)cc2c(C(F)(F)F)csc12	396312329	WXQQLHATJPGLHQ-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
Cc1cc(C(F)(F)F)cc2c(S)csc12	396313597	ZLHHUENMFGZGLX-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1cccc(F)c1C	399029069	XJZZXKJEUIDTRL-OCCSQVGLSA-N	248.341	4.533	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2CC=CCC2)C1	402275694	JFJRDRTVIBQYQJ-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C2C(C)(C)C2(C)C)c1	688970024	BQRIZDFNSPZNRD-CQSZACIVSA-N	246.394	4.526	0	10	BJAE	
CCCC(CCC)Nc1cccc(C2CC2)c1	690161549	XWZDUIISBKFTKD-UHFFFAOYSA-N	231.383	4.945	0	10	BJAE	
CC(C)(C)c1cccc([C@H](N)CCCC2CC2)c1	691652268	MOYYARAJOUGOPL-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCCCCCC(C)C	695155571	JRASCVPCTXCFGU-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](O)CCCc1ccccc1	696601155	ZFLRPMUXPYSLRZ-MRXNPFEDSA-N	248.410	4.587	0	10	BJAE	
CCCCCC[C@@H](CNC)C1CCCCCC1	696847911	BNWXCADYYVELFA-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC(C)=CCCC(O)(CC(C)C)CC(C)C	697587075	HVURMXUZOAOBKD-UHFFFAOYSA-N	226.404	4.556	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CCCC(C)(C)CC1	697631839	CQUPICARXCBAOZ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C(=O)[C@@]2(C)CC[C@@H](C)C2(C)C)oc1C	699078424	PNHSJQFRCLXHEI-BDJLRTHQSA-N	248.366	4.542	0	10	BJAE	
C[C@H](CC(=O)CC1CCCCCC1)CC(F)F	701575616	CFYGJPBBAUVKJP-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
C[C@H](C[C@H](O)[C@H]1CCCC[C@H]1C)CC(C)(C)C	704854127	LSHNLMPYZHGUTH-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H]1CCCC[C@H](CCC=C(C)C)C1	704938569	CUEAAVNDNUBBAM-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNCC[C@@H]2CC=CCC2)C1	706869139	NPGNTPHABHOLEE-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@@H](C)CC(C)(C)C)c1	708265090	UVKQQKRHKFECQR-BBRMVZONSA-N	247.426	4.882	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C12CCC(CC1)C2	711165951	GNZOOMVWMPXRKB-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(CN)(CC(C)(C)CC)CC1	713209859	FHGQODGNDZHOHO-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@H]2CCCC[C@@H]21	714277492	UHSFVPXKBBWSRY-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)NCC1(C2CCCC2)CCC=CCC1	718111089	VHXSFKQJXSQUGM-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCCC[C@@H]1CNC1CC1	718493487	KUXOIOFOYUVIGU-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1ccc(Cl)s1	718533815	PRUVDKSGRCMYSS-SNVBAGLBSA-N	243.803	4.538	0	10	BJAE	
CC(C)=C(C)CCCC[C@@H](O)c1ccccc1	718554533	WWFNDYSMJDDQGZ-MRXNPFEDSA-N	232.367	4.637	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1CCCCC1	720978158	QYJMGJFEIVUBDS-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)c1cccc2ccsc12	722866918	BLCNFUJDYRGTKW-NSHDSACASA-N	244.359	4.520	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H]1CCCC2(CC2)C1	723603726	YPYWFMBBIONUPT-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
Clc1c(OC2CC=CC2)ccc2ccccc12	1228251248	JKTMWDGPUDUIPO-UHFFFAOYSA-N	244.721	4.591	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H](C1CCCC1)C1CCC1	1560900701	GYVQACHMGUWSSM-DYVFJYSZSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@H](N2CCC3(CCCC3)CC2)CCCCC1	1618122404	LJSSLDSJWVJDPR-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CCC[C@@H](NCC1CCC=CCC1)[C@H]1CC1(C)C	1660054903	AVATTWKEDXUMOU-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CSc1ccc(N[C@H](C)[C@H](C)C(C)C)cc1	1901627806	VBVSVQZFQAZNCZ-VXGBXAGGSA-N	237.412	4.501	0	10	BJAE	
CCC[C@H](CC)COc1cccc(Cl)c1C	1905304822	SSASSJMSJCYGLA-LBPRGKRZSA-N	240.774	4.854	0	10	BJAE	
CCC(=CC1CCCCCC1)CNC(C)(C)C	1905427792	VCHGASDRRHVDRD-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)C[C@H](C)CCC	1910140326	RFJCVOASSGERFM-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC(C)NCCC=CC[C@@H](C)C1CCCCC1	1911862515	BYGIMLRRLXDYAT-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
Clc1sccc1NC1CC2(CCCC2)C1	1912691254	PYGVUVCVEMCOLA-UHFFFAOYSA-N	241.787	4.536	0	10	BJAE	
Cc1cccc(F)c1NC1CC2(CCCCC2)C1	1912710385	HICYMDPHNLPKFO-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CC1(C)CC[C@@H](N[C@@H]2CCC3(CCCCC3)C2)C1	1915872477	TWEVRESGDNOHHN-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CC[C@@](N)(c1ccc(C)cc1)C1CCCCCC1	1919459571	UPZPWZADDULTGQ-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CC[C@H](CC(=O)CC[C@@H]1CC1(C)C)C(C)(C)C	1921412364	GMTYAOTVKVZBBX-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC(C)=CCCc1nc(C)c(C(C)(C)C)s1	1935561143	HAZIINJYYIUYFN-UHFFFAOYSA-N	237.412	4.648	0	10	BJAE	
CCc1cscc1[C@H](N)CCC(C)(C)CC	1938804277	OZPBFAIZESZFLD-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
C[C@H](C[C@](C)(F)c1cccc(N)c1)C(C)(C)C	1940980264	PUNBCSKDNFNSFY-ABAIWWIYSA-N	237.362	4.526	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](N)CC(C)(C)C(C)C	1941262311	CHNCFGBNDSFWCS-CABCVRRESA-N	241.463	4.704	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)[C@H]1CCCC[C@@H]1CC	1941263117	MNZOEAQKHMNMIT-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C(=O)CC1(C)CCCC1)C(C)C	1941264765	OFXCLTCPPYYCCY-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2CCC=CCC2)C1	1941793621	QTPLDENLRPSSGV-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CC(C)C[C@@H](C)Nc1ccccc1C1(C)CC1	1944596454	NWQAQFLYAOCIME-CYBMUJFWSA-N	231.383	4.585	0	10	BJAE	
CCCCCC[C@H](C[C@H]1CCC[C@H]1C)NCC	1944822420	YYUXPPIWJNVSTI-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCC1(CNC(C)(C)C2CCCC2)CCC1	1945379307	JOBVIJMRBPZIFV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cc(F)ccc1C	1947455436	CGYMRFZMFZHXOE-TZMCWYRMSA-N	235.346	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(C2CC(C)(C)C2)CC1	1948155297	KNCWDNSXLHTZDN-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C[C@H](O)[C@H]1CCC(C)(C)C1)C(C)(C)C	1949420971	JPHYXTDMBXZQBB-MJBXVCDLSA-N	240.431	4.636	0	10	BJAE	
CC1(CCC(=O)CC2CCCCC2)CCCC1	1949906556	FIIGMQBRUNJECK-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C[C@@H]1C[C@H]2C[C@H]2C1	1950078977	HJZQFDVQLWJPLC-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C)c1ccc(C2=CC[C@@H](C)CC2)s1	1950561194	STYODZDCFVEXJG-NEPJUHHUSA-N	249.423	4.622	0	10	BJAE	
CC(C)=CCCNC[C@H]1CCCC(C)(C)CC1	1950919188	NGFRQRWWTGNVJJ-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CCCCC12CC2	1972722863	ASHGJBWMFCTFQK-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCCC1CC2(CCC2)C1	1973745462	WEPVZLWYJFAGSG-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@@](C)(N)C1(C)CCCCC1	1975565582	KKUJXECLGSQFCY-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@](C)(CCC(C)(C)C)CNCC	1978637902	JNJKDXAKRUUALY-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H](CCC(C)C)NCCCC(C)(C)C	1986943235	HZKQXNONICCVSW-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)C(CC)CC	1990093861	PJUDJWUWCLLVFE-ZFWWWQNUSA-N	227.436	4.760	0	10	BJAE	
CCC(CC)N(C)[C@@H](C)c1cccc(Cl)c1	1990813737	JJEBGRXAFZKJNI-NSHDSACASA-N	239.790	4.521	0	10	BJAE	
CC(C)Cc1coc2c(C(C)C)cccc12	1995462537	YMRUMSDXURUKPL-UHFFFAOYSA-N	216.324	4.755	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)C1CCC(C)(C)CC1	1996546274	INTNQRBVVRZITJ-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC[C@](N)(C1CCC(C)(C)CC1)[C@H](C)C(C)C	1996584447	ACKMWNVONJKKCC-CZUORRHYSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@H]1CC=CCC1	1997545384	BYJHCQPVTBUWQU-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@H]1CCC=CCCC1	2000002567	YYHVFVWOZMFFMT-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@](C)(CNC)[C@@H]1CCC[C@H](CC)C1	2000513438	UGOBGYHUJMMSGL-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1cccc(NCC2(C)CC=CC2)c1	2001695116	XPYYEPHJECPPNG-UHFFFAOYSA-N	229.367	4.578	0	10	BJAE	
CC(C)CCC[C@](C)(N)[C@H]1CCCC(C)(C)C1	2003013417	HDMYHTCTYQESHD-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1CCCC2(CC2)C1)NC	2003217006	HECAABGYLSWNIS-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@H](C)CCC)[C@H]1CC	2009247471	BAAPGXQDKLOBLX-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCC(CC)(CC)CNC(C)(C)C	2009617705	VRNFCNLETWZXHR-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)C1=CCC(C)(C)CC1	2010727485	XPBFCJCEWAHQKL-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H](O)C(C)(C)C1CCCCC1	2015280643	HKRVIOAPCFALNV-DZGCQCFKSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@@H](N)C2CCC(C)CC2)CCC1	2015589646	XVOXMJDAONASTO-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C1C[C@@H](C)C[C@H](C)C1	2016114074	DELSWSWVCHTUHL-DZKIICNBSA-N	237.431	4.523	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccc(F)c(F)c1	2016150708	XIAQZBVFYQFVNY-NSHDSACASA-N	239.309	4.512	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CC[C@@H]1C1CCC1	2017043917	QWADFUMDRVXDTG-HIFRSBDPSA-N	249.785	4.639	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2CCCC[C@H]2C)CCC1	2017129089	KWAVTLCEIZMEOU-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)C1(C(C)(C)C)CCC1	2017153868	CDAHCTWCLOAMIU-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C(C)(CC)CC)CC1	2017661145	AHAKFINJIRJCCF-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
CCCC1CCC(C[C@H](C(C)=O)C(C)C)CC1	2017770936	VXFXGSWRKDMRLK-GPANFISMSA-N	238.415	4.844	0	10	BJAE	
CCCC1(Cn2ccc3c(C)cccc32)CC1	2018921329	NCIMZYGUVSNMSK-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1C[C@@H]1C(C)(C)C	2022451546	OXIHCHLFYDCSQK-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(C(C)C)cc1OCC=C1CCC1	2023193516	DYLVLWLZPDGYLL-UHFFFAOYSA-N	230.351	4.608	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](C)c1cccs1	2023444898	AREYDXYKHRBAAK-SNVBAGLBSA-N	249.354	4.623	0	10	BJAE	
CCCC1CCC(C[C@@H]2C[C@H](C)CC2=O)CC1	2023634515	YPGOFALSHWUQPP-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H]1C=CCCC1	2026167292	QGGTYDHSGFNRKA-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@@H]2CCCC23CC3)n1	2026528013	ZJKPBCBSIURGRH-YPMHNXCESA-N	249.423	4.779	0	10	BJAE	
C[C@@H](C[C@H](C)c1cccc(N)c1)c1ccccc1	2027956271	JQNCOVAYRPYVMJ-KBPBESRZSA-N	239.362	4.566	0	10	BJAE	
C[C@H](CC(=O)c1cccc(C2CC2)c1)C(C)(C)C	2028551145	CGCJNCMNIPYQCI-GFCCVEGCSA-N	244.378	4.819	0	10	BJAE	
C(CCN[C@@H](C1CCCC1)C1CC1)CCC1CC1	2028627842	HOUWYIKRPUCCOO-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NCC1(C2CCCCC2)CC1	2029741515	JDPRRAQWPNWMOY-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2037143753	RISOPPVDCRRQFO-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC(=C1CCC2(CCCC2)C1)C1CCC(N)CC1	2037701448	YELRTNMOFPIHCB-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@](C)(O)c2ccccc2)C1	2038167629	SFDVZISFEJFBHO-BFYDXBDKSA-N	246.394	4.501	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H]1CCC[C@@H](C)CC1	2039362419	IGBIDYZSWBSOCH-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC([C@H](N)[C@H]2C(C)=CCC[C@H]2C)CC1	2039436973	QWFYEJDZBOQESP-WXGPCXSOSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC2(C1)CC(N)(CCC1CCCCC1)C2	2039462948	ZHVREAJPZLVHSB-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)C1(CC)CCC1	2039719647	JNVUBHYYVCXGCS-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H](N)C2CC3(CCCCC3)C2)C1	2040174034	YFLNDTKIRXSETR-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccccc1C1(C)CC1	2040717207	QJTZZKBKKMWWTG-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCCC(C)(C)[C@H](NC)c1ccccc1C1CC1	2040723071	FSAPDOSQCKVWQO-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCC(CC)CC(=O)c1ccc(CC2CC2)cc1	2040728033	KGEJNRXUMDAKFO-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
C[C@H]1CCC[C@H](N(C)CC2CCC=CCC2)CC1	2045312562	ZVUGIQPBGGKMKJ-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
CC(C)Cc1ccc(C(=O)CC2=CCCC2)cc1	2045585240	RGUZIGCVOKOCPB-UHFFFAOYSA-N	242.362	4.568	0	10	BJAE	
Cc1ccc(F)cc1C(=O)C1(C)CCCCCC1	2045595929	KLNYOFUUPSQTLN-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@H]1CC12CCCC2	2047015310	HWVOQZDLAXKMDX-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCCCC1)NC1[C@@H]2CCCCC[C@@H]12	2048386659	FPVLSHSTIXEBHD-FVQBIDKESA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC([C@](C)(O)c2ccccc2)CC1	2049420307	NKTWRNQOZYRYNV-BDVYOWHSSA-N	246.394	4.501	0	10	BJAE	
C1CCCCC(NC[C@@H]2C[C@H]3CCC[C@@H]32)CCC1	2049676570	VERLSRQBMRSVNW-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@](CN)(CC2CCC3(CC2)CC3)C1	2049853187	JKOJUOIIXZCRAH-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CCC3(CC3)C2)c1	2049861073	CBRDPUZFLCRQQJ-AWEZNQCLSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@@H](N)c1ccc(C)cc1	2050424138	ACBVCHFHOZUYMK-HYVNUMGLSA-N	245.410	4.601	0	10	BJAE	
Cc1ccc([C@@H](N)CCCCCCC2CC2)cc1	2050431092	PEBNAWXUVHMRHQ-KRWDZBQOSA-N	245.410	4.745	0	10	BJAE	
CC[C@@H]1CC[C@H](CNC2CC2)[C@@H](CC=C(C)C)C1	2051409849	VKEVMPBEXRJMNS-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@H](N)[C@H]1CCCCC12CCC2)C1CCC1	2053407702	PSAZJCQXVPRKRC-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@H](NCC)C1(C)CCC(C)CC1	2056558793	KOTWENUJSNPVLV-CGZBRXJRSA-N	249.442	4.703	0	10	BJAE	
CCCC1CC(Nc2cccc3ccccc23)C1	2059389748	GIOSVWNVPFKMKS-UHFFFAOYSA-N	239.362	4.830	0	10	BJAE	
CCCCC1CC(O)(c2cccc(C(C)C)c2)C1	2059397065	HGCYMAMIGALXLH-UHFFFAOYSA-N	246.394	4.598	0	10	BJAE	
CC1(C)CCC(CN)(CC[C@@]23CCC[C@@H]2C3)CC1	2061623844	UWMVGMUUNRFVOB-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](C[C@H]1CC(=O)CC(C)(C)C1)c1ccccc1	2063717002	YIRQBMGHHMLONV-KBPBESRZSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H]2CC(=O)CC3(CCC3)C2)C1	2063720611	JXZOFMISXGXYQJ-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C2(C)CCCC2)C12CCCC2	2067499376	WWUYBVRCFZMIAN-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)[C@@H]1CCC2(CCCC2)C1	2068268522	WEOXETGXQPVBMQ-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](c1ccccc1)C1(CC(C)C)CC1	2069521287	JQKHKQUXMZACNE-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
C[C@H](C1CCCC1)n1nccc1C1CCCCC1	2070176645	LXDXGHLYRMLQMY-CYBMUJFWSA-N	246.398	4.682	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@]23CCCC[C@H]2C3)CCC1	2071916445	ZGISGNHFROGFNI-SUMWQHHRSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)[C@@H]2CCCC3(CC3)C2)CC1	2072798108	GOBKATDKNBWDAK-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H]2CC(C)=C[C@H](C)C2)CC1	2074638386	FCSXLMLRDCQLBJ-IMJJTQAJSA-N	249.442	4.537	0	10	BJAE	
CN(C1CCC2(CC1)CC2)[C@@H]1C=CCCCCC1	2074799494	MEXPQRJXGAIVDX-OAHLLOKOSA-N	247.426	4.530	0	10	BJAE	
C1=C[C@@H](N2CCC[C@@H]2C2CCCCCC2)CCC1	2075085426	ZYTWDWRJJUTCFI-IAGOWNOFSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccccc2C2CC2)C1	2077261882	HDDKONUMGMXRQN-HIFRSBDPSA-N	243.394	4.945	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@H]1C[C@H]1C1CC1	2079300961	YXCVNHCCNXBOBY-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCC1CCC1)[C@H]1C[C@@H]1C1CCCCC1	2079486083	MEXHPZPMEZPNGU-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1	2079486887	PDKAMYUERDBVKI-RRCSTGOVSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1C[C@H]1C1CCCCCC1	2079528868	KMFJIXCKLOJPNA-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C[C@]1(CC[C@H]2C[C@H]2C2CCCCCC2)CCCN1	2079692830	FQEQORYHRCXMOO-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@H]1C[C@H]1C1CCCCC1	2079859870	ASJXOQGPNANHEJ-UTXMOHQDSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1[C@@H](C)N[C@@H](C)C(CC)CC	2081208789	IWBGFMUDNWYZCP-UONOGXRCSA-N	247.426	4.724	0	10	BJAE	
C[C@@H](C1CCC(C)(C)CC1)N(C)CC=C1CCC1	2081795356	JZEISHOEMWFIGL-AWEZNQCLSA-N	249.442	4.633	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCC[C@H](CC)C1	2081946361	GPTUZOGDLSJTQC-SWLSCSKDSA-N	249.373	4.769	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC1C2(CCC2)C12CCC2	2083533932	RWRBOMGDXSUMQL-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CCC1C[C@@H]2CC[C@@H](C1)N2[C@H]1CCC[C@H](CC)C1	2084424456	IJGRXFPFRCYXQD-HJWJTTGWSA-N	249.442	4.608	0	10	BJAE	
CCCCC[C@](O)(CC)c1scc(C)c1C	2210561433	VKQXZPDPWJZAQR-CQSZACIVSA-N	240.412	4.543	0	10	BJAE	
Cc1cccc(Cl)c1NC1CC(CC2CC2)C1	2213379828	RMZDWYKLZCKDGT-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
CC[C@](O)(CCCCCCC1CC1)C(C)(C)C	2213577152	YONLYWBIZFNQMG-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCC(CCC)[C@H](CC[C@H]1C[C@H]1CC)NC	2215255147	QNPFOUJGOXYSGI-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C1(C)CCC(C)CC1	2215332487	NQIXINLELKAYGD-IQXANGCESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@@H]1CCCC(C)(C)C1	2215334641	SXLCJWOEODNWAE-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)CC1(C)CC(C)(C)C1	2215397396	CIJDBWYYMHOADJ-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218352225	VWFFJLRDJSWWGP-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
C(CCC[C@@H]1CCC[C@@]12CCNC2)CCC1CC1	2218719195	WMSIANQTEJJJLG-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CCC1(CNC2CCC(C3CC3)CC2)CCCC1	2218896343	HDBLAWATZGSTMM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@@]1(C)CC=C(C)CC1	2221642747	IWCKJNHWCLCNKG-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)(CNC2C[C@H](C)C[C@@H](C)C2)CC1	2221643124	MBOPMTCPLLXIFZ-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@]2(C(=O)CCCCCCCC3CC3)C[C@H]12	2223140396	QIALPWHUGHEESW-UNEWFSDZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)c1cccs1	2243030349	KWZMBCTZJJLSNW-VXGBXAGGSA-N	236.380	4.537	0	10	BJAE	
CCC[C@H](CC)C(=O)c1c(C)sc(C)c1C	2244779298	CYIGUAUKQDGFFJ-LBPRGKRZSA-N	238.396	4.682	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@H](CC)CCC	2244784564	UMSKCQMIZNEVOQ-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cc2ccccc2s1	2246875293	MDQOJYRTXKNCSK-ABAIWWIYSA-N	247.407	4.727	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)CCC1CCCC1	2247173699	DIAVQBXVMMBGOY-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCCC12CC2)NCCC	2247605130	HFSIYWJFGIDCIP-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(=O)c1cc(C)c2sccc2c1	2248568871	QENNGGPERIHPGH-UHFFFAOYSA-N	246.375	4.973	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C[C@H]1CC1(C)C	2248812527	AOPMXQAUCLEZRH-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CC=C(C)C)CCCCC[C@@H]1C[C@H]1C	2248820160	OEUFVWHFLSNDKM-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCN(CC[C@@H](C)CCCC(C)C)C(C)(C)C	2250475495	LCWBWXCGHJNELI-HNNXBMFYSA-N	241.463	4.959	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@]1(O)CCC1(C)C	2250496107	OUYDGPLVVXVNPB-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@]12CCC[C@H]1CC2	2251106215	RCIKCBXDDIBDGP-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C(=O)CC1CC(CC(C)(C)C)C1	2251590008	UMUHBVXLRRVFKZ-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)CC[C@H]1CCCCC12CC2	2253839378	NHCFTBXCNBNZFY-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@H](CC[C@H]2CCCCC23CC3)C[C@@H](C)N1	2253858377	VPRDZKCVTILHJV-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@H]2CCCC23CC3)C1	2254010408	GMHKBMPGCXKJCS-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](CC2CC3(CCCC3)C2)N1	2254043608	VWVHNEQHRVBGSJ-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CCC23CCC3)CCCCCC1	2254846742	OFESGTAEBBVUQY-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C[C@@H](Nc1cc(C2CC2)ccc1F)C1CCCC1	2259124952	CACPHYYLKKCAJR-LLVKDONJSA-N	247.357	4.694	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCC=Cc1ccccc1	2259446982	JEGDHTZIQHCBGK-IRXDYDNUSA-N	245.410	4.634	0	10	BJAE	
CC1(C)CC(C)([C@H](N)C[C@@]23CCCC[C@H]2CC3)C1	2260615571	JDQUUCRUOPMYFC-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)C[C@H](C)Nc1ccnc(C(C)(C)C)c1	2260747606	ZPZBROQARAPWTA-OLZOCXBDSA-N	248.414	4.616	0	10	BJAE	
CC[C@H]1C[C@H]1CCN(C)[C@H](CC)CCC(C)C	2298137129	XOIMVMYKLAFVKX-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@]12CCCC[C@H]1C2	2300502404	ZUFKIHNYAZRZDL-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]1CC(C)(C)C[C@H]1CC=C(C)CC	2300898543	FSIBOOCVQHLNSC-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@H](CC=C(C)CC)C1	2300900867	CJICAUZSYKBANS-OAGGEKHMSA-N	237.431	4.524	0	10	BJAE	
CC(C)(C)C(=O)CC[C@H]1C[C@H]2CCC[C@H]1CC2	2301146966	FALWBXGWSAJBRA-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CNC1CC1)CC1CCCCCC1	2301245804	ZTFLQKWLNGMMDP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H]([C@H](CC)C(C)C)[C@H](C)[C@@H](C)C(C)C	2301961627	MCAAZVWFEHRGNV-ZJIFWQFVSA-N	241.463	4.575	0	10	BJAE	
N[C@@H](CCCCCC1CC1)CCCCC1CC1	2302569257	ILXLFUUOWOENEO-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CC[C@@H](C)CC2=O)CC1	2303519466	DSQKGATYNBWGGV-DFBGVHRSSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@@H]1CCC(C)=C(C)C1	2303582874	KKRGJFQJYBCBRF-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@@H](CCCC[C@H](O)C(C)(C)C)C1	2304447041	KKHUBLNIWDQQTG-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H](CC)CCC(C)C	2307748383	YROULGOOJOFSEA-HOTGVXAUSA-N	241.463	4.959	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(C2CC2)CCCCCN1	2307819807	PZAFSZYBFFQANW-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCCCCC[C@@H]1O	2307909563	UXTMOJYZIAQIDV-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309129647	IDHAQTOPTJBLHI-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)C[C@@]12CCCC[C@@H]1CC2	2313335605	DAZNQFRPKFZSIP-HWMZRRJGSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)c1ccc(C(C)(C)C)cc1	2313595872	DKPACKPSYUEBKR-LBPRGKRZSA-N	244.378	4.603	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H](C)c1ccoc1	2315882548	FYLLIXPCPATKRK-ZDUSSCGKSA-N	243.350	4.885	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CCCC2(CCCCC2)C1	2316561374	ZPIQPMJUYUJVOO-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CCCN[C@@H](CCC)c1ccc(F)cc1C1CC1	2317098022	WTMJJNQCAIPRHK-INIZCTEOSA-N	249.373	4.544	0	10	BJAE	
CN[C@H](C[C@@H](C)[C@@H](C)C(C)C)c1ccccc1C	2317830253	GDUQIYSKWSBKAL-HLLBOEOZSA-N	247.426	4.574	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1ccc(C2(C)CC2)cc1	2317831923	RBZBWMSGEHIZRM-UONOGXRCSA-N	245.410	4.831	0	10	BJAE	
CN[C@H](CCC[C@H]1C[C@H]1C)CCC1=CCCCC1	2317905975	CNVJUHNZIDFUIF-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@H]1C[C@H]1C1CCC1	2317948969	TWXMOJOUCGHUJE-RDJZCZTQSA-N	246.394	4.662	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@]12CCCC[C@H]1C2	2318502821	LBKMEIRMVNISBZ-RDJZCZTQSA-N	246.394	4.807	0	10	BJAE	
NC1(CC[C@H]2C[C@H]3CCC[C@H]2CC3)CCCCC1	2318863350	RHEUPBHRWXIWMI-JYJNAYRXSA-N	249.442	4.645	0	10	BJAE	
O=C(CCCCC1CC1)CC1CC(=C2CCC2)C1	2318875532	HITZKPFMLDMNPT-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2318937870	DPPUFTRFMZUFNT-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC(N)(CC2CC2)CC2CC2)C1	2319036037	CIRNIVBLEIHGEN-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C2CC(C3CCC3)C2)C1	2319294599	AMFZYXYRSZDILJ-GRTSSRMGSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC[C@@H]2CC[C@@H]2C2CC2)C1	2319749215	MNQMIKBMNLCXJX-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC=C[C@](N)(C[C@H]2CC[C@H]2C(C)(C)C)C1	2320250897	VJRKLRRIVYPGAV-CPUCHLNUSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](CC2CC2)C2CC2)CC1	2320514850	OLYDOMWPFRYYNH-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
CCc1cc(F)cc(N[C@H](C)[C@@H]2CCC2(C)C)c1	2321089768	RQCVBZGWOHKBFE-ABAIWWIYSA-N	249.373	4.625	0	10	BJAE	
CC(=CC=C1CCN[C@H](C)[C@@H]1C)CCCC(C)C	2321308258	KPCBSCIBURCTAE-JKSUJKDBSA-N	249.442	4.703	0	10	BJAE	
CC(C)CC12CC(C(=O)CCC3CC(C)C3)(C1)C2	2321583370	DIZNOERUDKQUIR-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)[C@H]2CC23CCCC3)C1	2321602611	JKLJLTQQBQPSGF-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
Oc1ccc(-c2ccc(-c3ccccc3)cc2)cc1	13840572	LIUKCIVQVBVCCF-UHFFFAOYSA-N	246.309	4.726	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1)c1ccc(C)cc1	19992704	VFOWXWWQESCCTE-KRWDZBQOSA-N	239.362	4.867	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1	20566073	QTFCAJWHONIFHZ-UKRRQHHQSA-N	231.383	4.622	0	10	BJAE	
Cc1ccc(CNCCCCCCC(C)C)cc1	21804006	GXWKCDWHOLFMJJ-UHFFFAOYSA-N	247.426	4.691	0	10	BJAE	
CCCC[C@@H](NCCC)c1ccc(C)c(C)c1	35572767	BINBBKXMPPZSJP-MRXNPFEDSA-N	233.399	4.534	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccc(Cl)cc1F	37056448	RFGXKDYCOANWKG-SNVBAGLBSA-N	243.753	4.716	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1cccc2ccccc12	54439197	PHWDOIVEMUYAHO-CXAGYDPISA-N	241.378	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cccc(F)c2C)C1	71120858	ZXSYWLSHLWEAGI-STQMWFEESA-N	235.346	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)CC(C)(C)C	82674666	CADDFZRRSLYBSX-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CC(Nc2cccc(Cl)c2)C[C@H](C)C1	82829396	PTRTVUWBMSVLKZ-GHMZBOCLSA-N	237.774	4.577	0	10	BJAE	
C[C@H]1CCC[C@@H]1Nc1ccc(Cl)c(Cl)c1	83389675	HGGFKMLOUSBXBL-UFBFGSQYSA-N	244.165	4.594	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(F)cc2)CC1	86893861	DXXNIRPCKKXUDT-OCCSQVGLSA-N	235.346	4.597	0	10	BJAE	
CCCCCC[C@H](O)Cc1ccc(C(C)C)cc1	87181890	CJWJWUCLXDGMJC-KRWDZBQOSA-N	248.410	4.684	0	10	BJAE	
CCC[C@H](N[C@@H](C)C[C@@H](C)CC)c1ccccc1	88295526	CBUFBUHXUJPALJ-ZOBUZTSGSA-N	247.426	4.942	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@@H]1CCC[C@H](CC)C1	94676716	RPAXEEQEIVNCNV-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N	109665599	ODUJASRDIYEZAK-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
c1ccc(-c2ccc3sccc3c2)cc1	117843931	BJHKTBMMYSYOLJ-UHFFFAOYSA-N	210.301	4.568	0	10	BJAE	
CCCNC[C@@H](CCC(C)(C)C)C1CCCC1	128239778	ABOPTRYJYXETRP-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C1CCCC1	130621604	NUNSAAMZTINKGF-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(N[C@H]2CCC(C)(C)C[C@H]2C)cc1	155827660	CQUMRTGLFRBKMH-CJNGLKHVSA-N	245.410	4.876	0	10	BJAE	
CCCCCC[C@@H](NCC)C1(CC)CCCC1	158483528	UWQPJKOFHHVIMQ-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC(CC)C(=O)C[C@@H]1CCCc2ccccc21	164350064	SMJIGSIVUKDWJJ-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
CCCN[C@H](CCCC(C)C)c1cccc(C)c1	165812942	WHZUSPIPABKZDM-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCC[C@H](CCCC(C)C)CNC(C)(C)C	166062966	YBHKHFPJXKSBFE-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	166069304	KBVIAMKMPMYXQR-UMVBOHGHSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC[C@@H](NCCC)C1	227718380	FJIMLMYXKZBUTD-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@@H](NC)c1ccsc1C	227891585	BACXJYXDTGXKLH-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@H](c1cc(C)cc(C)c1)[C@H](C)CCC	229498539	XXBOGCRIYXRILT-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
CC(C)CCCCN[C@H]1CCC[C@H](C(C)C)C1	230996461	CTGWAJPHIUZAEI-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@H]2CNc3c(Cl)cccc32)CC1	232820405	OGBHESLUNLKFTK-GCZXYKMCSA-N	249.785	4.675	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@@H]1CCCC1(C)C	233176237	UCLZRMDXFJMCCU-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1N	250371738	AEAPIQJCYJFODZ-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CCc2ccccc2N1	251838075	QMZAXAYJYQJNEA-UKPHBRMFSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H]1C[C@@H]1N[C@H]1CCCC[C@@H]1C1CCCCC1	300585504	GTNJANSAWWCGLC-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)c1ccc(C)cc1C	302262898	CBCDHSSLTUVXQX-WMLDXEAASA-N	247.426	4.636	0	10	BJAE	
CCN[C@H]([C@@H](C)CC(C)C)C1(CC)CCCC1	302520208	DNIIKKKGRSZPDG-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](N[C@H]1/C=C/CCCCC1)C1CCCCC1	302528182	XFTBFBAVSXUVQQ-DKTLHIEFSA-N	249.442	4.824	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)c1coc2ccccc12	305900792	AQLRMBBLNZRGPV-DOMZBBRYSA-N	246.350	4.539	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCC1CCCC1)NC	305961209	OOFUKPUEPKOHQL-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)Oc1ccccc1C(C)(C)C	305983336	AUVIOTOBOGRYBH-CYBMUJFWSA-N	234.383	4.798	0	10	BJAE	
CCc1cc(N[C@@H](C)C2CCCC2)ccc1C	305995918	KBGKFWXVRQRPSU-ZDUSSCGKSA-N	231.383	4.548	0	10	BJAE	
CSc1cc(Cl)c2scc(C)c2c1	307059661	IDEAHWWNKQODOE-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1cccc(O[C@H]2C=CCCCCC2)c1	310061479	RVQPSOGICILJHF-HNNXBMFYSA-N	230.351	4.517	0	10	BJAE	
CCC1(C[C@@H](N)C2CCCCCCC2)CCC1	310255027	OZJZGVDBPAHNSH-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC1CCC(C[C@@](C)(O)CCC(C)(C)C)CC1	310414190	MUNJQOCKJVZXBT-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](N)C2(CC)CC2)cc1	310902757	FNSIYNIEIGJEBD-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
C[C@H](CC[C@H](N)c1ccccc1)C1CCCCC1	311092494	RFRZSHUBODURET-PBHICJAKSA-N	245.410	4.683	0	10	BJAE	
C[C@@H]1CCC[C@H]1CN[C@H]1CCCC12CCCCC2	313098796	FYEOKKMCXRYSHD-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCNCC1([C@H]2C=CCCC2)CCC(CC)CC1	317101982	KEFANMYEAQAGFL-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)[C@@H](C)n1ccc2c(Cl)cccc21	319631975	PKYAEMTXFCYJLT-WDEREUQCSA-N	235.758	4.902	0	10	BJAE	
CCSc1ccccc1N[C@H](CC)[C@H]1C[C@@H]1C	322101732	YMIVYASTFSWMAD-RWMBFGLXSA-N	249.423	4.645	0	10	BJAE	
Cc1cccc(OC[C@@H](C)C2CCCCC2)c1	379921220	QQLFVXIPCYLCTJ-CQSZACIVSA-N	232.367	4.590	0	10	BJAE	
CCN[C@@H]([C@H](C)CC(C)C)C(C)(C)C(C)(C)C	380079466	DQVDGUYWXPYNPT-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](N)C[C@H](C)CC(C)C	380564216	WYLWYQXNQPJWKB-DJIMGWMZSA-N	247.426	4.580	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](CC)c1cccc(C)c1	380591451	DKCQGMDCHSJQPX-PBHICJAKSA-N	247.426	4.860	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](CC)c1ccsc1	382168128	VSWJHMMDJLRRGQ-BXUZGUMPSA-N	239.428	4.614	0	10	BJAE	
CCC[C@@H](CNC(C)(C)C)C[C@@H](C)CC(C)C	382681935	UTFNBWYTVNVEBC-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CC[C@@](O)(CCC2CCCCC2)C[C@H]1C	383117956	BZFQGMJIXCTJIV-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
C[C@H](N[C@H](c1ccccc1)C(C)(C)C)C1CCC1	386020439	WZGXJAIBAYTARD-XJKSGUPXSA-N	245.410	4.552	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1[C@@H](C)CCC[C@H]1C	386298274	VBJOOVJAJHDFFI-LJISPDSOSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccc(C(F)F)cc1	386347971	UEVOZXDWGPBISP-GXFFZTMASA-N	239.309	4.615	0	10	BJAE	
CCCC1(CN[C@@H]2CCC23CCCCC3)CCC1	391894781	GOASVYUHLQLLKK-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1C[C@H](CCC2CCCC2)Nc2ccccc21	393970003	ZNBFZSHXCFRCMJ-HIFRSBDPSA-N	243.394	4.945	0	10	BJAE	
CC[C@@](O)(C[C@H](C)C1CCCCC1)C(C)(C)C	395453429	ZMQWMFVLMQWZCM-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCc1cc2cc(C(F)F)sc2cc1C	396214042	DKJJODFXRKSGDV-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1cc2c(C(F)(F)F)ccc(F)c2s1	396291807	DDWKODYZHNQXIV-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1cc(C)c2scc(C(F)(F)F)c2c1	396296879	DOJPIBQHVIHYEP-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
C[C@H](CNc1ccc2sccc2c1)C1CCC1	398701855	KFGIUFGLNPRHOO-LLVKDONJSA-N	245.391	4.749	0	10	BJAE	
CC(C)NC[C@H]1CC[C@@H](C)C[C@H]1CC1=CCCC1	400622043	JAIWGBGAVZMOSB-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1	403358695	XKOUOLSUGKEBMJ-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H](C)CC1CCCC1	689810681	VYXKBCOLQHGNPL-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCCCC[C@@H]1C	691079886	MTUYOROMRTVAGS-SMDDNHRTSA-N	235.346	4.515	0	10	BJAE	
CCCNC[C@@]1(CC2CC=CC2)CCC[C@@H](C)C1	692159320	YLRNUQPIOOZOJN-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@@H]1CCC12CCCC2	694334403	VZRIGTCAHIGSFV-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CCC12CCCC2	694405672	WRVCTVZVATYYHG-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1C=CCCCCC1	694669131	CRRWLWGTAUJYFH-NVXWUHKLSA-N	249.442	4.824	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)CC1CCCCC1	695146018	HYFUYQKWUYEPDC-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@@H](NC)C1CCC2(CC1)CC2	695579874	MSTFKCDQPVZHON-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CCC1)CC(C)(C)CC	696246552	CBTBIOLTBTUDOO-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1c(C)oc(C)c1C	697775074	NNVYPDCQEZNBGL-OAHLLOKOSA-N	249.398	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)[C@@H](C)CC(C)(C)C	704626027	RKNOBVIIGIWYET-LJISPDSOSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Oc1cccc2ccccc12	704921983	IYVGXCYQSABDNT-CZUORRHYSA-N	240.346	4.797	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@@H](C)CC(C)(C)C	709151238	ZSLAKWHLHRZXOB-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(O)C[C@H](C)C(C)(C)C)c1	710800232	OYNXTTIJTCIXCK-YOEHRIQHSA-N	248.410	4.583	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@@H]2CCCC[C@@H]21)C1CC1	714301980	BRTZXECWTPWQLU-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CCNC[C@H]1CCCC[C@H]1CCC(C)=C(C)C	718498213	WBDYEWDOMKQQOU-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CCNc1ccc(C)c(Cl)c1	718622202	HWYPENYWMQVCPX-UHFFFAOYSA-N	237.774	4.807	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCC1(C2CC2)CC1	720953687	HFAOWYHTVBQACG-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCC1(CC)CC1	720990595	UKCKTBVFUIJSCI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H]1CCC[C@H](NCCC2CC=CC2)C1	724204925	JXKXQEPNFRLLFY-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(NCC(C)=CCl)cc1	1889824541	NFUMJYHVLWWQSI-UHFFFAOYSA-N	237.774	4.584	0	10	BJAE	
Cc1cc(-c2cccc(C3CCC3)c2)cs1	1901894808	JRBCTVJOXVOCRI-UHFFFAOYSA-N	228.360	4.991	0	10	BJAE	
CCC(CC)[C@@H](CCC=Cc1ccccc1)NC	1911989235	UEFQFZKBGXHTQV-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H](C)c1csc(-c2ccc(C)c(C)c2)n1	1912995802	BKBWYEWVEPBSCE-SNVBAGLBSA-N	245.391	4.940	0	10	BJAE	
O=C1CCCCCCCC[C@H]1CC1CCCC1	1913388444	FVDPOXOMSAEPIO-HNNXBMFYSA-N	236.399	4.886	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(CN)CCCC12CCC2	1921656108	CVMMRRQDROWWLF-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H](C)C1CCCCC1	1924110850	NBJURMJHJUAURD-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC[C@H]1C=CCCCC1	1925820209	OUENEMGZOMFMKH-ILXRZTDVSA-N	206.373	4.949	0	10	BJAE	
CCC[C@@H](C(=O)CCCC(C)(C)C)C(C)C	1936206343	GKVJLVSSXBVGIQ-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@H](C)[C@@H](C)CC	1940795436	GMDSABAQBQAPNA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](NCCCC1(C)CC1)C1CCCCC1	1940874119	TZMPSNVAXNVFBB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(C[C@@H](C)c2cccc(N)c2)CC1	1940975138	AVNVJKSZFLTCPI-ROKHWSDSSA-N	231.383	4.589	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@H](CC(C)C)C(C)C	1941263933	GVZNHIFCQSGDLH-LSDHHAIUSA-N	240.431	4.946	0	10	BJAE	
Cc1cccc(NCCCCCC2CC2)c1C	1941578099	WQOOPSJRJUFMDT-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@]1(O)CCCCCC1CC1	1941579738	REEYATQRYFQCSG-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CCCCCC2CC2)C(=O)C1	1941584804	QIRQVWGXMVWTGG-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](O)C1CCCCC1	1944619742	YUXLQGDVTCBUJY-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)C(C)(C)C1CCCC1	1944639201	CDDRZRGUUCHDEG-ZFWWWQNUSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)C[C@H]1CCC[C@@H]1C	1944850505	VHTHKKUZOKNTTL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1(CNC(C)C)CC(C)(CC)C1	1948412711	HNWVLGTZCNDDDE-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CCC(C)(C)C1CC1	1949033475	HGAQAPFUOVPEEX-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1CCC(C)(C)C	1949113189	VXDVVXKOAGKTBZ-CHWSQXEVSA-N	231.383	4.658	0	10	BJAE	
c1cc2cc(N[C@H]3CCC34CCC4)ccc2s1	1949323578	BWRAOCXHSNTOPI-AWEZNQCLSA-N	243.375	4.646	0	10	BJAE	
CC1(C)CC[C@@H]([C@@]2(N)CCCCCC2(C)C)C1	1949401784	GENQBPZZJRGDNZ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@@H]2CCC(C)(C)C2)CC1	1949494652	AIVFAPHTCWLQHF-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C[C@H](C)CC)CCC1(C)C	1949654230	RTSRUCNDXZALIA-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)NCc1ccccc1C(C)C	1963223238	USMDNOKYVDWDID-HNNXBMFYSA-N	247.426	4.868	0	10	BJAE	
Cc1ccc(-c2nc([C@@H]3C[C@H]3C)cs2)c(C)c1	1968436298	QRVKYSNEUJEDQO-DGCLKSJQSA-N	243.375	4.550	0	10	BJAE	
CCCCC1CC(N[C@@H](CCC)C2CCC2)C1	1969866182	BUNXDYINGSPWCQ-BCLQGDPASA-N	237.431	4.514	0	10	BJAE	
CCCCN(C[C@@H](C)CCC)C1CCCCC1	1970381774	ZJUVLRKZGCVUNX-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CC[C@@H](NCC1(C)CC(C)(C)C1)c1ccccc1	1973671151	UWIWEMXIRVUYFI-OAHLLOKOSA-N	245.410	4.554	0	10	BJAE	
CCC(CC)CC(=O)C1(C)CCCCCC1	1978450490	QPNISLWTTYCHIP-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H](C)CCCC	1984619625	WFCKYOPUOIIKRH-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CC=CCCCCC[C@H](NCC)C(C)(C)C	1984632132	JJDMDJMVPSNXDB-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCC1(C)CC1	1995202186	CTNSMHXDOFXNHO-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC1(C[C@](C)(N)C2(C)CCCCC2)CCC1	1995976681	XDEHRJCSRIXQRJ-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
C[C@H](N[C@@H]1CCC(C)(C)C1)C1(C)CCCCC1	1995983519	PCIQWXVYOGPBPT-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC[C@@H](C)C1)C1CCCCC1	1996594348	LOAMGPMNZPUKLF-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@H]1CCC[C@H](C)C1)NC	1996612706	ZVDPTTFRVIMWKI-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@@H](CC1(CC)CCC1)NCC	1996615961	KBHGHAXPPHMJNZ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCC[C@@H](CCC)CC1	1997193488	BZZKSFHDPMWHCH-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CCC=CCCC1)C1CC1	1999989199	XTRKQOHMGVJUFH-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1CCC=CCCC1	2000001843	QKQXYDHRJKUVNK-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H]([C@H](C)C(C)C)C1(C)CCCCCC1	2000371836	JQIHIZBUTFRLRR-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CCC(C)(C)C1CC1)CNC	2000482319	BMANJTIKAWOEJI-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](CC)(CNC)C[C@H](C)C1CCC1	2000504404	HWPCJSVQBJYGRN-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC[C@@H]1CC12CCCCC2)NCC	2001215083	GZXYUCOXRSVDOJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@H]1CC12CCCCC2	2001225390	OUZQKNPPQAOJPM-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@](C)(O)[C@H]1CCCC(C)(C)C1	2003015561	DXYIRFGXIATEKV-RZLSGREXSA-N	240.431	4.636	0	10	BJAE	
CC1(C[C@@H](O)C2=CCCCCCC2)CCCC1	2003175670	MMBFDTJYIVIXLV-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CCCC2(CC2)C1)NC	2003216580	DEYPNVBIJSYVAE-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C(C)(C)CC)[C@]1(C)C=CCCC1	2003320756	JTIMKUSUOJEEEH-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@H](N)[C@]1(C)C=CCCC1)CC(C)(C)C	2003333363	CGUAZRDLCFOVKV-IJEWVQPXSA-N	237.431	4.523	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCC[C@@H](C)C2)CC1	2004341085	GZWPUCZYOOPNFM-CIDNJEQPSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@H]1CCC[C@H]1C	2006752940	ZTVFXLMOEVGNCO-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(C=C1CCCCC1)C1CCCCC1	2007963729	MXNZDGMJUJOADQ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC=CCCC[C@@]1(N)CCCCC12CCCC2	2009568519	DQMSRSPBBJRONX-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC=CCCC[C@H]1C[C@@H](C(C)(C)C)CCC1=O	2009575370	ZFYDTEGKUPFNMO-KBPBESRZSA-N	236.399	4.764	0	10	BJAE	
C=C=CCC[C@@H](NCCC)C(C)(C)C(C)(C)C	2010977279	PRNXACUBEFEEMI-CQSZACIVSA-N	237.431	4.548	0	10	BJAE	
CCN[C@H](CCC[C@H]1C[C@H]1C)CCC(C)(C)C	2011577196	OVCWEIUVTXWMTO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@](CNC(C)C)(C(C)C)[C@@H](C)CC(C)C	2012416699	MTYYJGPWHVXHAU-JKSUJKDBSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CC12CCC(CC1)CC2	2012811956	FKLAHUSSVKDKDB-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@@H]1CCCC1(C)C	2013267108	NUAWWRSDGFOQSJ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CSc1ccccc1N[C@H](C)[C@@H]1CCC1(C)C	2014903975	RFINJMGVDGWYIX-NEPJUHHUSA-N	249.423	4.645	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)C(C)C)C1CCCC1	2015410453	VKXVRVQWFIWCTF-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C=C(C)c2cccc(N)c2)CCC1	2015645775	VHBSGIVYDUPZGM-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CC2(C(C)(C)C)CCC2)C1	2017114062	HYQCAIITINNWHO-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)C1CCC(CC)CC1	2017484900	BIXIVCCGCYVHSL-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)[C@@H](O)C[C@H]1CC[C@H](CCC)CC1	2017650186	DMEMOOYNUOUNRV-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CC2(CC)CC2)CC1	2018983470	XAMMTKBOPFOFBI-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCCN(CCCC)[C@@H]1CCC[C@@H](CC)C1	2019200993	ISGXFXFTBYLOEJ-HZPDHXFCSA-N	239.447	4.857	0	10	BJAE	
CCCC1CCC(N(C)C[C@H](C)CCC)CC1	2019286190	QVRHMMIHYHLIAO-QQFBHYJXSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@H](NC)c1cc2ccccc2s1	2020966160	DXJHRNCKXGEXRC-HNNXBMFYSA-N	245.391	4.518	0	10	BJAE	
CC=C(CC)[C@H](NC)C1(C)CCCCCCC1	2020974370	PLGWJLIEGZFFBO-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@H](C[C@H]1C[C@H]1C(C)C)NCC	2022487012	ZONGHSOCVZXJRN-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC(F)F)NCCC	2023129046	FCUBLLWGRVRTOO-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCC[C@](C)(CCCCC(C)(F)F)CNC	2023297119	OCNRHRZVTBPUDY-CYBMUJFWSA-N	249.389	4.618	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CCC[C@@H]1CC(CC)CC	2024001689	UAVHUZGHYXANCN-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCC(=CC1CC(C)(C)CC(C)(C)C1)[C@@H](C)N	2024091153	FWVGGGLDPIBUGL-GFCCVEGCSA-N	237.431	4.523	0	10	BJAE	
CC(C)C1(C[C@H]2CC(C)(C)CCC2=O)CCC1	2024125323	STVPORDYQNVSJD-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccccc1C[C@](C)(O)CC(C)(C)C	2027460301	IWFMUXSSNYFSLS-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
CCc1cccc([C@@H](O)[C@H](CC(C)C)C(C)C)c1	2028235930	UZLMGBKCBPEOSB-IAGOWNOFSA-N	248.410	4.601	0	10	BJAE	
CCC1([C@@H](N)c2ccc(C3CC3)cc2)CCCC1	2028607072	BBOKTJPYBMOPFY-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1ccc(C(C)C)cc1	2029839292	YOYJGUINPDLEOR-YOEHRIQHSA-N	248.410	4.916	0	10	BJAE	
CCCCCC[C@H](C)Nc1cccc(C2CC2)n1	2031834234	AYKCKCKEDWPRRS-ZDUSSCGKSA-N	246.398	4.730	0	10	BJAE	
CCCc1ccc([C@](C)(O)[C@H](C)CC(C)C)cc1	2036377425	VQDAFQUQFXPJTA-RHSMWYFYSA-N	248.410	4.529	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(C2=CCCCC2)CC1	2037095413	LUUAODBPCDAZBH-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
C[C@@H](c1cccc(N)c1)[C@@H]1CCC2(CCCC2)C1	2037690882	ADIMVNOGJHYBLP-DZGCQCFKSA-N	243.394	4.733	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)[C@@H]1CCC2(CC2)C1	2038571042	HHWOWESLPUQOIF-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCN[C@@H]1CCCC2(CCCCC2)C1	2040767305	PTZLJNJZSUPZPD-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C[C@H](N[C@H](C)C1CCCCC1)C1CC2(CCC2)C1	2043548439	YLBIUZPBUQRKAC-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(NC[C@H]2CCC=CCCC2)c1C	2045329812	QVPUGTFJNQXEKR-INIZCTEOSA-N	243.394	4.852	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2047339927	IDHAQTOPTJBLHI-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048439654	NUDCUOCMUGNETA-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](Nc1cccc(F)c1)[C@H]1CCCC(C)(C)C1	2049530551	XLDUFTCMWBOQSX-OLZOCXBDSA-N	249.373	4.843	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)[C@H]1CCC[C@H](C)C1	2049541205	UDFONBOHOJCDMK-YUTCNCBUSA-N	249.373	4.761	0	10	BJAE	
C1CCCCC(NC[C@@H]2CCC3(CC3)C2)CCC1	2049677641	FGXUFFJKFJTAPR-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
O=C1CCCCCC[C@H]1CC1CCC2(CC1)CC2	2049947413	GHAKCXLUKLOXRR-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](CCC1(C)CCC1)c1cccc(C)c1	2050460652	LEYXJBMMVHPRTN-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCC1(CC)CCC(Nc2ccc(O)cc2)CC1	2051591486	HLTMAMDBMIBLLN-UHFFFAOYSA-N	247.382	4.553	0	10	BJAE	
CCC1(CC)CCC(Nc2cnccc2C)CC1	2051594449	SXAJTCSEPOLZFS-UHFFFAOYSA-N	246.398	4.551	0	10	BJAE	
CCCCC1CCC([C@@H](NC)C2CC=CC2)CC1	2053663977	FYNZOUXUALPYJC-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H](C[C@H]2C=CCCC2)CC[C@H]1C	2055601447	PGOVITMUKGSURI-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1(CC2CCC2)CCC2(CC2)CC1	2056559384	SDVGPLCRMKAZNF-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC(C)(C)C)CC=CCC1	2059256174	NAPHLWFNXMTZDZ-FUTAKVPZSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C1=CC[C@@H](C)CC1	2060931100	XPLFJNNNVMDNTK-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC([C@H](N)C2=CCC(C)(C)CC2)C[C@@H](C)C1	2061115864	KZCVVIBCJIQERH-HEHGZKQESA-N	249.442	4.523	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C[C@]12CCC[C@@H]1C2	2061606355	LAWKQDITBBBRBS-BFYDXBDKSA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CCC2)C1)C(C)(C)CC	2061727667	ABRRGCLFMAKXOA-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CC1CC(=C2CCC2)C1	2061736769	KIGMYIZXPGLBRN-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
Cc1cccc(NC[C@H]2C[C@@H]3CCC[C@@H]3C2)c1C	2063470334	AQSBKVOMIFEMFG-PHZGNYQRSA-N	243.394	4.542	0	10	BJAE	
CC[C@@]1(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCCCN1	2063477739	UHICPXFSIVUMSG-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
NC1(CC2C[C@H]3CCC[C@@H]3C2)CCCCCCC1	2063487747	RKZFGCZENOUKSN-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](CC)c2occc2C)C1	2063676974	DNFVQLCHKVMANR-RBSFLKMASA-N	249.398	4.598	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C12CCCC1CCC2	2063821668	JUAVQWZYXIABHG-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](NC)C23CCCC2CCC3)CCC1	2063823104	ZVWRJFCASKJILN-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1NCC12CCC(CC1)CC2	2065263329	XFYYFIKSHVKWNM-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CC(=O)CC12CCC(CC1)CC2)C1CC1	2065285354	DUVRLOVRNRWELV-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC1CC(CN)(CC23CCC(CC2)CC3)C1	2065332572	IIJYRFMAWVUDGS-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCCC1(C[C@@H](N)c2cc(C)ccc2C)CCC1	2069268028	KGGMULJFDYFMLP-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
CCCC1(CN2Cc3ccccc3[C@H]2C)CCC1	2069281887	CZRADDKJOBUXKD-CQSZACIVSA-N	243.394	4.534	0	10	BJAE	
CCCC1(C[C@H]2CCc3ccccc3N2)CCC1	2069341080	BFRPRNTXKLLHIQ-OAHLLOKOSA-N	243.394	4.774	0	10	BJAE	
CC(C)=CCC[C@](C)(N)c1ccccc1C(C)C	2070296366	RXHUEWUUFPYOGV-KRWDZBQOSA-N	245.410	4.730	0	10	BJAE	
CCCC[C@@H](CC1CC2(C1)CC21CC1)NCCC	2072230482	ZTJVPFQNVKAKBD-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(CN)CCC23CCC3)CC1	2072803954	NJYFIACQVUEVSA-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@@]12CCCC[C@H]1C2	2074025794	QNNSZNUVFQQVBW-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](N)C2CC3(C2)CC(C)(C)C3)CC1	2074563444	NXJQPKBUPQMNKD-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCNc1ccccc1C1CCC1	2077262422	UDTGBBWHAOPFGG-DZGCQCFKSA-N	243.394	4.802	0	10	BJAE	
CCCCc1ccc([C@H]2CCCC(=O)[C@@H]2C)cc1	2077925896	ZLWRZDYHKWMLTP-CJNGLKHVSA-N	244.378	4.502	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@H]1C[C@@H]1C1CCC1	2079326475	AEXCYUFWFVQTOP-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC1(N)CC2(CCCCC2)C1	2079672414	WOEFIJZNIMHPMS-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@]1(N)CCC[C@H]2CCCC[C@H]21)C1CCC1	2081118084	JFNGGVGGPSERSR-MWQQHZPXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C[C@]2(CN)C=CCC2)CC(C)(C)C1	2082979293	MRFYRTLUZNLUKY-KRWDZBQOSA-N	249.442	4.524	0	10	BJAE	
CC(=CC1CC(C)(C)CC(C)(C)C1)[C@@]1(C)CCN1	2082990901	LXLFSNBOYZEJRX-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@](CC)(CN)CCCCC1CC1	2211118632	JBLBRJWXWFTMDZ-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CCCCCC[C@H](CN[C@H](C)CC)C(C)C	2212583807	JHJDYRJEQDABDO-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](C)(O)CC1C[C@H]2CCC[C@H](C1)C2	2213274608	FRSOJMYXVMVQHW-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCCCCC2CC2)C1=O	2213578070	ILNSWLVZTIAEDE-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C1CC1)[C@H](O)CCCCCCC1CC1	2213579345	DUUPCULSEVQNKZ-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
Cc1csc(C(=O)[C@H]2CCCCC23CC3)c1C	2213642375	QUWDHRIWELWTRF-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](O)CCCCC1CC1	2214564095	ULQNWIXTPADPIX-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)CCCC(C)C	2214585668	UXHPNBFUPYVAPP-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCCC2CCC2)CC1	2215820069	AMNLMHYNHPRFFK-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](C)NCC1(CCC(C)(C)C)CCCC1	2217138894	UNOVYBRKKRBBLV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
N[C@H](C1CCCCCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218350392	LAWLGOJAMMGJKW-YQFWSFKMSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@H]1C[C@H]1C1CCC1	2218722389	ADIUQASWDKTPSV-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1	2218728817	WGXUQSJCAZCLNG-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
C(CCCN1CC[C@H]2CCCC[C@@H]21)CCC1CC1	2218731281	JOQHVAHZBJDRIF-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1C[C@@H]1C1CCC1	2218731909	NBNQRBGRLRJJHI-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC=CC[C@]1(N)CCCCCCCC1CC1	2223130459	MXUQCCXEFAHYCE-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(CNC3CCC3)CCC2)C1	2223590221	VMTQMNNTBKNJRR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)[C@@H](C)c1ccc(C)cc1	2223963071	DATXSZGWGDFLQJ-JLJPHGGASA-N	247.426	4.513	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1CCC1(C)C	2243198756	LMDCXUJGWPLNFW-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CN[C@H](CC)c1cccs1	2244799260	ATRHWCHFQWPKPA-QWHCGFSZSA-N	239.428	4.615	0	10	BJAE	
CC(C)C1(C(=O)CC[C@@H]2CCC[C@@H](C)C2)CC1	2246667302	XXHKDPSBOXEUAG-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1cc2ccccc2s1	2246905150	GASKPHOAWUEBRL-UHFFFAOYSA-N	246.375	4.766	0	10	BJAE	
CCC(C)(C)C[C@H](CCCC[C@H]1C[C@H]1C)NC	2247176169	NMMZKWYPPGCIHO-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCNCC(C)(C)CCCCCC[C@@H]1C[C@@H]1C	2248795066	DEYCGPNMPKEDFL-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC(=O)CCCCC[C@H]1C[C@H]1C	2248865105	GUNPNXHCUMIJPT-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cccc(C(C)C)c1	2250371676	MJJSWNKJLGPORK-BBRMVZONSA-N	233.399	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C[C@@]1(C)CCCN1	2250483173	YMUQWFWZBDFDKG-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@](C)(N)C[C@]12CCCC[C@@H]1CC2	2251215416	LCAQVZKTILVGEV-OWCLPIDISA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C)CCC1CC(CC(C)(C)C)C1	2251532931	AHNGKFAEYIPIQG-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](CCC2CCC2)C1=O	2251706430	DNLYTUPKDGEJME-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1[C@@H](C[C@@H](C)CCC)CCC1(C)C	2251712529	NOABNLPAOGWLEV-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)C[C@H]1CCCCC12CC2	2253802913	GCCSYZOLLYGQMC-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCCCC12CC2)CC1(C)CC1	2253808122	DFCFOFAHVSNODR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNC1CC2(CCCCC2)C1	2254544919	RODYWQOANSHBOT-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CC[C@H]2CCCC23CC3)C1	2255252527	BBORYFXWODTFQR-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)nc(NC(C(C)(C)C)C(C)(C)C)c1	2255427874	NTTAYLCOIAUZDA-UHFFFAOYSA-N	248.414	4.571	0	10	BJAE	
Cc1cc(C(=O)CCCCC[C@H]2C[C@@H]2C)oc1C	2257302799	XFTPYCMMPHJXPD-JSGCOSHPSA-N	248.366	4.686	0	10	BJAE	
Cc1cc(NCC[C@@]23CCC[C@@H]2C3)cc(C)c1C	2258244568	JLHOFCFYOKDXHM-NVXWUHKLSA-N	243.394	4.604	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1ccc(C2CCC2)cc1	2259445917	XRHLEAAMBZRCQE-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CCC[C@@H](CC)C(=O)Cc1cc(C)cc(C)c1C	2259449424	VZSGGVGDBLZCPQ-OAHLLOKOSA-N	246.394	4.550	0	10	BJAE	
CC1=C[C@@H](N[C@H]2CC(C)(C)CCC2(C)C)CCC1	2261395437	OGLNQGCCVKHGHR-GJZGRUSLSA-N	249.442	4.680	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298386857	TWUFPZNHIQVVCG-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H](C)CC1CCC1	2298917058	UICZGUPHFSFLFX-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@](C)(N)CC1CC2(CCC2)C1	2300495874	CPSIPDIOFANGMI-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC[C@@H](N)c1ccccc1C	2300673149	DNEJCFXTXXOMCS-MRXNPFEDSA-N	233.399	4.601	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2300683927	OTYRLFJNKBQROF-BFJAYTPKSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H]1CCC1(C)C	2300872130	MMKVDPXHHDNFOU-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@@H](N)C1)CCCC(C)C	2300889444	VZWAUBSVJQVVPZ-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CC=C(C)CC)NC	2300902590	WCSCEJJJOQWTOF-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCC(C)=CCc1cc([C@H](C)CC)ccc1O	2300922815	CPBRNKBYOBQFBW-CYBMUJFWSA-N	232.367	4.805	0	10	BJAE	
CC(C)NC[C@H](CC1CCCCCC1)C(C)C	2301189063	QJRKEALXWNLUPN-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)[C@H](C)[C@H](C)C(C)C	2301898174	XKIONVRBSCNTTA-APIJFGDWSA-N	238.415	4.556	0	10	BJAE	
CCCCCC[C@]1(C(=O)O)CCC(C)=C(C)C1	2303471282	ZLABYDQXYZIQPW-HNNXBMFYSA-N	238.371	4.548	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CC[C@@H]2C[C@@H]2C)CC1	2303602952	ZBGLZWSKBXVVPW-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@@H]1CCCC[C@H]1CC	2303609074	CHLRTNPRIBUJQM-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
C1=C(CCCc2ncsc2C2CC2)CCCC1	2304332830	CPJVSKLMEWISAD-UHFFFAOYSA-N	247.407	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CC[C@H]2CCC(C)(C)C2)C1	2304400410	WBKXWALAORBQKX-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
Cc1sccc1-c1ccccc1OC(C)(C)C	2307648337	SLJRDSAWXVSOMT-UHFFFAOYSA-N	246.375	4.901	0	10	BJAE	
CCC[C@H](CC)CN1C[C@H](C(C)C)CC[C@H]1C	2307746543	FXJPJLPKPWRZLO-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCC[C@@H]1C(C)C	2307841060	FHGSCJQCWFHRGB-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@]1(C)CC1(C)C	2307893960	KDDHLCIRPKSYAK-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CC[C@H]1C(C)(C)C	2307904655	UEVZJQOCQCZUOZ-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1	2307923242	IOKWIFBUQXPHBI-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1CCC[C@@H]2C[C@H]12	2310191545	GVALMKBJFWVQPH-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@@]12CCCC[C@@H]1C2	2311148052	PNFWJDDTOVZJCF-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)CC[C@@H]2C[C@H]2C)cc1	2311276770	LHUOEKWXPMKLCF-KFZJALRRSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](C[C@@H]1CCC=CCCC1)NC	2311505266	WJESRHVBFUPMFL-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC)[C@@H](N)[C@@H]2CCCC3(CCCCC3)[C@@H]21	2311922929	YIQAIFMMDISGEL-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312956154	RYLVUFWWOUXZFY-QRJUGERDSA-N	248.410	4.598	0	10	BJAE	
CN[C@H]1CCCCC[C@H]1C[C@@]12CCCC[C@@H]1CC2	2313347492	SIKMJYSWDCTJIR-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCC1)N(C)[C@H]1CCCCCC12CC2	2313602765	CTRGBTAIEWAGEA-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CCc1cc([C@@](O)(CC)CCC(C)C)ccc1C	2314637917	XMSXBJUOCKEDAM-QGZVFWFLSA-N	248.410	4.591	0	10	BJAE	
CCCC(CCC)C(=O)c1ccc(C)c(CC)c1	2314700059	PGJPSQFRTSZJBU-UHFFFAOYSA-N	246.394	4.957	0	10	BJAE	
CCC(CC)CC[C@](O)(CC)c1ccc(C)cc1	2316254212	ZECQROHBULCSQN-QGZVFWFLSA-N	248.410	4.809	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)c1coc2ccccc12	2317991304	SLMPXKZTYQXERQ-NWDGAFQWSA-N	244.334	4.544	0	10	BJAE	
CCCN[C@@H](C)c1cccc(CCCC(C)C)c1	2318392415	JXDSNVUAQRQSEU-HNNXBMFYSA-N	247.426	4.726	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)CC1CC2(CC2)C1	2318877400	LUHKZEFHVIWCGC-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(N(C)C[C@@H]2CC[C@H]2C(C)(C)C)c1	2320304833	IWWBYPRGXOQTCA-GOEBONIOSA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H]1CCC(C)=C(C)C1	2320422688	IMFZMSBZAVBVJU-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CCC(C)=CCN(C)Cc1cccc(C(C)C)c1	2320640868	UDGBKYKOYRPBNR-UHFFFAOYSA-N	245.410	4.598	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2C=CCCC2)c1F	2327777061	RETHNIUPYKUVOQ-ZDUSSCGKSA-N	247.357	4.717	0	10	BJAE	
Clc1ccc2c(c1)NC[C@H](C1CCCCC1)C2	11987826	PWUALOKCRZMUNN-CYBMUJFWSA-N	249.785	4.505	0	10	BJAE	
CCCc1ccc([C@H](NCC)[C@@H](C)CCC)cc1	35550357	HEBAYUYVZZOWTB-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CC(C)C[C@H](C)Nc1ccc2sccc2c1	36976170	KDSWTTNNSILQJD-NSHDSACASA-N	233.380	4.748	0	10	BJAE	
CCCC[C@H](C)Nc1cc(Cl)cc(Cl)c1	37199580	OQCSPNPXETYJED-VIFPVBQESA-N	246.181	4.984	0	10	BJAE	
CCCCc1ccc(N[C@@H](CC)C(C)C)cc1	37232679	XJJXMGZCIPHBGR-INIZCTEOSA-N	233.399	4.876	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](c1ccccc1)C1CC1	69374542	PCACWDRAZLICIH-SJORKVTESA-N	245.410	4.696	0	10	BJAE	
CC1CCC(Oc2ccc(C(C)(C)C)cc2)CC1	85151244	KRWSMEBZZFTWDR-UHFFFAOYSA-N	246.394	4.942	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCC[C@H](C)CC1	86879160	XABZSWMPMWFPIK-DZGCQCFKSA-N	231.383	4.630	0	10	BJAE	
CCCNCC/C=C(/C)c1ccc(C(C)C)cc1	93674929	MFLIOOBMKVOBKI-CHHVJCJISA-N	245.410	4.603	0	10	BJAE	
CCC1CCC([C@]2(O)CCCCC2(C)C)CC1	94284602	TVWYYVJNZOXMSN-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCC1([C@@H](O)c2ccc(C(C)C)cc2)CCCC1	94906941	KSGOTWJVXCJHPJ-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCCC[C@H](N)c1cccc(-c2ccccc2)c1	95768451	UVGYNGNFBXSDBD-KRWDZBQOSA-N	239.362	4.544	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@H](C)C2CCCC2)c1	112392344	ZBOASPMQIYVDOP-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
CCCN[C@@H](c1coc2ccccc12)[C@@H](C)CC	123069905	AFGCZCOBSIEBPR-BLLLJJGKSA-N	245.366	4.520	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCC[C@@H](CC)CC1	127878708	YLTKAMOOLSQBGJ-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](C(C)(C)CCNC(C)C)C1	133929760	GHWMXSARWNFVOB-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC[C@@H]1CNCC	134148718	WQHFIRJWPHZUEP-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCN[C@H]1C[C@@H](C)CC(C)(C)C1	134295593	AOFKWCZXOXBZLU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC([C@H](O)CC(CC)CC)CC1	148118440	TXAGYTOVXUTSRE-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)[C@@H](C(C)(C)C)CN2	232520815	MSARXRCJBAPUQI-ZDUSSCGKSA-N	231.383	4.539	0	10	BJAE	
Cc1cc(F)c(N[C@H](C)CCC(C)C)cc1F	232565088	QAUDHFORQVQWCM-LLVKDONJSA-N	241.325	4.510	0	10	BJAE	
CCCC1(CCC)CNc2c(Cl)cccc21	232937205	QYYCUIYUDFWJSP-UHFFFAOYSA-N	237.774	4.604	0	10	BJAE	
CCCCC[C@H](NCCC)c1ccoc1Cl	232965059	VTEIUCICPVCUQR-LBPRGKRZSA-N	243.778	4.554	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)c1ccccc1C	234435373	UGZGVCPMAZFEKE-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CC[C@@H]1CCCCN1C1=CC[C@@H](C(C)(C)C)CC1	242547819	KUHGQWHOJHKCKZ-HUUCEWRRSA-N	249.442	4.981	0	10	BJAE	
C[C@@H]1CC[C@@H](NC(C)(C)CC(C)(C)C)C[C@H]1C	251938487	VWKAJZGDFIBQMF-MGPQQGTHSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCC[C@H](c2ccc(C(C)(C)N)cc2)C1	258238483	CTHWINXLNHNQTO-AWEZNQCLSA-N	245.410	4.564	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1CCC(F)(F)C1	304189758	QXGOUFMLCLBXEI-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)CCC(C)(C)C	304335511	DVJSNLDSBPZTBA-UONOGXRCSA-N	227.436	4.760	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CCC1=CCCCC1	308079925	YXDAFCRKWCNLLB-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
C[C@H]1CC(NCC(C)(C)C2=CCCC2)C[C@H](C)C1	308759001	UDDQTWJIANSROF-ZIAGYGMSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C(C)(C)N[C@H]1CCC12CCCCC2	310105718	CUAOZQQNAJSVHU-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C(C(C)C)C(C)C	310171828	PJZNZDOLJGFBBY-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CN[C@H](CCC(C)(C)C)CC1CCC(C)CC1	310377399	GGRNJVYWNGKRGM-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](N)C1(C)CCCC1)C1CCCCC1	310477204	KNHSCTYTGYXHMT-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@]1(CNCC)CCC[C@H](C)C1	317533281	QVZFMJQIJJCYNY-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](CNCC(C)C)CC(C)C	319097957	DLWDLTDXBHNSEC-HRCADAONSA-N	241.463	4.577	0	10	BJAE	
CC[C@@](O)(CCCCCC(C)C)C1CCC1	322292052	REUXACSZTKXLOR-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCNC[C@@H](C)CCC/C=C/c1ccccc1	324096248	CKLKHAJLZFDGAI-BPLPYTOXSA-N	245.410	4.506	0	10	BJAE	
CCC[C@H](C)[C@H](CC/C=C/c1ccccc1)NC	324339681	XTGOQJBXHOSFDU-ZJTAJZJASA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@H](C)C1)C(C)(C)CC	380112766	ZXCRGEWMLXURFJ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@H](C)CCC(C)(C)C)c(C)c1O	381021288	XIQYGZZCTGZSQH-GFCCVEGCSA-N	249.398	4.636	0	10	BJAE	
CC(C)CCCCC[C@H]1CC[C@@H]1CNC(C)C	383206971	PDWKPPRRUYGJKD-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H](N)c1ccoc1Cl	383320589	XQJGWJLJUFJBBP-GFCCVEGCSA-N	243.778	4.539	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(O)CC1(C)CCCC1	383654818	KERSNRNBRBKLNY-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCNCC[C@@H](C)C[C@H](C)C1CCCCC1	383947378	GDYDGGIQYMEKHI-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)CCC1CCCCC1	384580893	XCNMIACPSNBWCH-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@]1(CCC2=CCCCC2)CCCCCN1	384884651	VXRIGNDQXQSBTE-MRXNPFEDSA-N	235.415	4.579	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CCC1=CCCCC1	386254262	JOBAJPOFFBRPKA-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCCC[C@H](C)[C@H](O)c1ccccc1	394741969	NMTQJTHGSBPBJV-RDJZCZTQSA-N	248.410	4.963	0	10	BJAE	
C[C@H](C[C@H](O)CC1CCCCCC1)C1CCC1	398528015	QSJCESJTOAQDFT-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1ccc(C)cc1F	401860780	YZXDNCKQOOHCDM-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CC[C@H](C)SC1	689397920	HHEDTMKDBVYONM-STQMWFEESA-N	249.423	4.506	0	10	BJAE	
CCSc1cccc(NCCC(C)(C)C)c1	689694249	HPGOQKMKJBZJCK-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)CC1CCCCC1	689839296	QZEHTOAUTPYEFF-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1ccc(C)c(F)c1	691143827	ZITAWLQZRNRRBW-CZUORRHYSA-N	249.373	4.905	0	10	BJAE	
CCCCCCC1(CNC2CC2)CC2(CCC2)C1	691481595	PLEQIEIUNKMTAD-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H](C)C1CCC1	692773297	FZGSGXUAZGKFTI-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H](C)C1CCCCC1	695061142	MRBCHVYHKVPFTK-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](O)[C@H]1CCC[C@@H](C(C)(C)C)CC1	695129692	WNQPEWBQNWFBBW-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CNCCC2=CCCCC2)C1	695354665	PGVXEHHIRGHWCW-QLPKVWCKSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1ccc2ccccc2c1	696176331	IPYDNMZKJKDNQS-INIZCTEOSA-N	241.378	4.666	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)c1ccccc1	696187568	UCXPUFRQQNECQP-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
O[C@H](C1=CCCCCCC1)[C@H]1CCCC2(CC2)C1	696495563	LJTWBPQYSPBOGY-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@@H](C)CC(C)(C)C	701069271	LOBMXFZBTKSPAR-CHWSQXEVSA-N	228.420	4.636	0	10	BJAE	
c1cc(N[C@@H]2CCC23CCCC3)cc(C2CC2)c1	703741874	OFHVWGHNGJOKQI-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)[C@@H]1CC2CCC1CC2	704508705	PGTNUUVCCJDBSD-OKEQZYBDSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCCC[C@H]1C	704930780	SUZITZAJURSDPF-OWCLPIDISA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CCCC[C@@H]1n1ccc2ccc(F)cc21	704960015	SQXBIDAAPNAFNS-FZMZJTMJSA-N	231.314	4.532	0	10	BJAE	
CCNC[C@@](C)(C[C@H](C)CC(C)(C)C)C(C)C	709124225	MGJOZVMBQMTUHE-GDBMZVCRSA-N	241.463	4.721	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@H]1C(C)(C)C)CC(C)(C)C	709125655	IETOBWCLOVKZOS-JHJVBQTASA-N	238.415	4.700	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cs1	710727717	GQOMQZJOKVNLBX-HZSPNIEDSA-N	249.423	4.827	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@@H](CC)C(C)(C)C	711184249	JONCWAAVOYTDIG-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]2CCCC[C@H]21)C1CCCCCC1	712493441	XDTJGDRCUPMNEI-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@H]1C[C@H]1C1CC1	712947059	NIUMYYCLHURGEV-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
C=C/C=C\CC[C@H](N)c1ccccc1C(C)(C)C	713750132	SHXJDOJPYJBVRI-WLMCBFPDSA-N	243.394	4.506	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1ccc(C)cc1F	714539861	GRFLOEHCRJQSRJ-KTRBRXNASA-N	220.331	4.984	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1NCCCC(C)(C)C	717454689	KZFZSFFEZBPHPP-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)c1cc(C)cc(C)c1	718688823	GSWPBHLPTQAFKN-KRWDZBQOSA-N	246.394	4.647	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)C(C)(C)CCCC3	719247140	LJLNDERASVBMLJ-UHFFFAOYSA-N	241.378	4.789	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1CC12CCCCC2	719297352	KIYKYVAQACESBI-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC1(C)C)C(C)(CC)CC	722679502	JRRNADIOHRTMCO-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)C[C@H]2CC2(C)C)c1	722878911	ADUXSBLTTUXFQB-AWEZNQCLSA-N	244.378	4.603	0	10	BJAE	
c1csc(SC[C@@H]2CC3CCC2CC3)c1	1472977798	GHHHTPMQNJGEJT-MCIGGMRASA-N	238.421	4.667	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CCC=CCCC1	1665881590	ZVTCUJOLKPGGQA-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC(C)(C)C(C)C	1900582248	BWNOIKIOWOASRE-HNNXBMFYSA-N	228.420	4.636	0	10	BJAE	
CCCNC[C@@](C)(CC)CCC(CC)CC	1900694220	WTEIEYYGLLWXJQ-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCCCC[C@H]1N	1905444357	LVQRAUGJEZVLMC-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc(Cl)cc1	1905448102	HCGXJPYUXLRHTD-NSHDSACASA-N	238.758	4.739	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@]3(C)C[C@@H]23)c(C)cc1Cl	1908786108	OIIRTNMTQIGVHM-LNSITVRQSA-N	249.785	4.557	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](O)C1(C)CCCCCC1	1910697323	XHKFPKIYGMIKCB-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@@H]1C[C@H]1CCC	1910746740	BBWQZFGJMZERKS-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CCC(=O)CC1CCCCC1	1910808013	PMPOKYGTUGLJQL-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@H](C[C@@H](C)C(C)(C)C)NCC	1911810706	WTWJTMGZVVCTJZ-HUUCEWRRSA-N	237.431	4.559	0	10	BJAE	
CC=CCCN[C@H]1CCCC[C@@H]1C1CCCCC1	1912050167	NCBBJNYRWHELEJ-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1CC(C[C@H]2CCCCCCCC[C@@H]2O)C1	1913386496	MWTCLZRTXMIIEG-FJBKBRRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H]1CCCCCCCC[C@@H]1N	1913404743	PJKXZHDZANNVCX-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CC1(CCN[C@H]2CCC3(CCCC3)C2)CCCC1	1916430239	JTTDQNXHSOZELR-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC(C)C)C=CCCC1	1916579611	PJZQAJDHUVFGTA-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)c1ccc(C2CC2)cc1	1920206103	YJFZMEFDGVBNIL-DYVFJYSZSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCC12CCC2	1921603528	NSEXOIPZUVSFDQ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@@H](N)CCCCCC(C)C	1926376941	WWQQAANAFVKQHZ-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CC(C)CC[C@H](C)Oc1cccc(Cl)c1	1928731191	QQPMCHPJWNECGH-NSHDSACASA-N	226.747	4.544	0	10	BJAE	
C[C@H]1CC(CCC2=CCCC2)C[C@H](C)C1	1929820255	WHTDQUKKZAAQHB-CHWSQXEVSA-N	206.373	4.949	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@H]1C=CCCC1	1932605746	YWQLVEUXMYDTNO-ZNMIVQPWSA-N	206.373	4.949	0	10	BJAE	
CC[C@@]1(CCC[C@@H]2CC2(C)C)CCCCCN1	1940884814	VDWFIDSPSCPXSO-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@@H](C)c1ccc(N)cc1)CC(C)(C)C	1940970565	KIGNRQWRQHQJLY-CHWSQXEVSA-N	233.399	4.835	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NCC)[C@@H](C)CC(C)C	1941265243	UYMMRCUGMRAEHX-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@H](CC)C(C)C	1941267417	RNELIOCASJRNFI-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNCC(C)(CC)CC)C1	1941357474	LBMSQNJWMNTVAV-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](C)NC1CC[C@@H]2C[C@H]2CC1	1941875954	OEOGBGJJYGLMEK-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)C[C@H](C)CC(C)(C)C	1942653714	SXCDFMOUEQHCBP-KKUMJFAQSA-N	241.463	4.848	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNC(C)C)CCCC1(C)C	1944477826	LWQANFORCHESSB-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNCCC)[C@H]1CC1(C)C	1945822697	HLQCAEKUGCJGKU-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](NCC)c1cccc2sccc12	1945970128	LBWQPFXVQLOEGV-CQSZACIVSA-N	247.407	4.742	0	10	BJAE	
CC(C)C[C@H](C)N[C@H]1CCCC2(CCCC2)C1	1946454334	FSORYDJFMUZVSR-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC[C@@](N)(CCC(C)(C)C1CC1)C1CCCC1	1949035293	NYPUVMKUCSOHSW-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)NCCC[C@H]1CCC2(CCCC2)C1	1949552534	RWYPIXJBKOETBT-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(SC[C@@H]2C=CCCCC2)ccc1O	1949783261	MFUIIMZBQJPWCU-CYBMUJFWSA-N	248.391	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C2CCCCCC2)CC1	1950931474	XCMSHRCNTGKTAF-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C1(CC)CCC1	1951237565	AHSBEMVPHLWKPO-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H](C)C(C)C	1968350422	SLLBSIDGINRWSV-AWEZNQCLSA-N	234.383	4.789	0	10	BJAE	
Clc1cc(-c2ccnc3ccccc23)cs1	1968725129	JDBZPBOPWKHQIL-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CCCC1CCC(CN(C)C(CC)CC)CC1	1968782489	PJORNMKMKBHGGU-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
C1CCC2(CC1)CCN2[C@H]1CCC2(CCCC2)C1	1969769102	BMQRJKXSOPYZOD-HNNXBMFYSA-N	247.426	4.508	0	10	BJAE	
CC[C@@H](NC[C@H]1CCCC(C)(C)C1)c1ccco1	1970087617	YNPZXFRCFVUFJI-UONOGXRCSA-N	249.398	4.537	0	10	BJAE	
CC(C)C[C@H](C)CN1CCCCCCCCC1	1970126126	POOHXAIAAQQGQN-INIZCTEOSA-N	239.447	4.715	0	10	BJAE	
CC(C)Sc1ccccc1N[C@H]1CC[C@@H](C)C1	1970344704	UPVGKQNLONZFMJ-OLZOCXBDSA-N	249.423	4.788	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@H](C)c2ccoc2)C1	1970466812	DMZQBLIKXDLMMU-IJEWVQPXSA-N	249.398	4.535	0	10	BJAE	
CC[C@H](CN[C@@H](CC)C1CCCCC1)C(C)C	1973383109	BZNZQKHZRLXTDU-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](CNc2ccccc2C2(C)CC2)C1	1973423001	RTZCELUVBMKKSA-KGLIPLIRSA-N	243.394	4.586	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CCC1CCC1	1976930055	ZNHGEEUFUFJECX-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)(CC)C(=O)c1cccc(Cl)c1	1978451627	MMAPOBIOYJAIQB-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCC[C@@H](C)CC1	1984575389	MIMJWGHUJRZDEH-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CC=CCCCNc1cccc2ccsc12	1984612332	LEXKXERXBXJOEV-UHFFFAOYSA-N	231.364	4.670	0	10	BJAE	
CCCC1(C[C@H](N)CC(C)(C)CC)CCC1	1988461574	KYOBFJLQFPRQDV-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@H](C)C1	1990092569	BCKYWFBVYDTDPT-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@H](CC)Nc1cnccc1Cl	1990097477	HMKSZULHFMEUEY-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CC(F)(F)CCCCNc1cccc(Cl)c1	1993567855	YZHBCDPENHVRME-UHFFFAOYSA-N	247.716	4.577	0	10	BJAE	
CC(C)(C)CCc1nc(C2CCCC2)cs1	1995498514	PPKJXZPGWNRQGB-UHFFFAOYSA-N	237.412	4.779	0	10	BJAE	
CC[C@@](O)(CC1CCC1)C1CCC(C)(C)CC1	1996549728	WGUHNPJEOVYEAZ-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CCCC2(CCC2)C1	1997044042	VZNDWTOYBAQHPF-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@]1(C)CC=CCC1	1997545341	BSBCZSMYQJWLTG-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
C[C@H](C[C@@H](O)[C@@]1(C)CC=CCC1)CC(C)(C)C	1997585377	FKLVJGLRNHDPBM-FMKPAKJESA-N	238.415	4.556	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H](C)CC1=CCCCC1	1998379897	JFZCNJDXGCGJAL-CABCVRRESA-N	237.431	4.680	0	10	BJAE	
Cc1ccsc1[C@H](N)C[C@@H]1CCC=CCCC1	1999989713	CYLVBSBQBMGINB-ZIAGYGMSSA-N	249.423	4.583	0	10	BJAE	
CN[C@H](CC[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000164213	WVEPHRYHGPHBOW-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)CN(CC(C)C)CC1(C)CCCCC1	2000900221	LLWKPXBMYLUNLD-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H]1CC12CCCC2	2001216574	QIFNBYKVYKTVPJ-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CC[C@@H]1CCCC(C)(C)C	2002881432	BAAPZQFRRFCWNH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](Nc1ccccc1)[C@@H]1CCCC(C)(C)C1	2003015125	DAAVEPMIXPZGPU-UONOGXRCSA-N	231.383	4.703	0	10	BJAE	
C[C@@H](CNC1CCCCCCCC1)C(C)(C)C	2003092839	LVTGMSNMJMBPFR-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H]1CCCCCCC[C@H]1O	2003116422	IPQATNXDOAIAEJ-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@]1(C)C=CCCC1	2003320579	IIJLNOKYYXIKKS-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](c1cccs1)[C@]1(C)C=CCCC1	2003322931	SEKSUSPEDRFVIC-HUUCEWRRSA-N	249.423	4.535	0	10	BJAE	
CC(C)=C(C)CCC[C@H](O)c1cccc(C)c1	2003629228	XLADJFZDXIBOHZ-INIZCTEOSA-N	232.367	4.555	0	10	BJAE	
C/C=C/CCCN[C@@H]1CCC[C@H](CCC)CC1	2009598806	RZRWQQYUHRHVJS-KADIJHKTSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CC=C([C@@H](O)C[C@@H](C)CC(C)(C)C)CC1	2010627148	ZWINZOVUVFCWJE-NFAWXSAZSA-N	238.415	4.556	0	10	BJAE	
CCCCCC[C@@H](O)C1=CC[C@H](C(C)C)CC1	2010716361	FESCWOATQBPQTH-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011983039	NTTGKXDDFUNPJW-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC[C@](CCCCF)(CNC(C)(C)C)C(C)C	2012439820	KNXJBFQJFSZESU-HNNXBMFYSA-N	245.426	4.567	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cc(F)ccc1C	2013263800	JKTPGAFCBKQSND-CQSZACIVSA-N	237.362	4.761	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@@H](C)C(C)C	2015276371	XQLLECZEJUVZJV-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C1C[C@H](C)C[C@@H](C)C1	2016150248	RLZDOCWUNCTBDM-FMKPAKJESA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C[C@@]1(C)C[C@@H]1C	2016389251	BHNIPTNYSUSUIP-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@H]1C1CCC1	2017045719	BQSIBZYORQFFOA-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CC[C@@H]1C[C@@H]1C	2017245817	PCSQZVSPHOSOLV-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C[C@H](C[C@H](C)CC)NC)CC1	2017720565	HODVPCBCPMHLRH-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)C[C@H]1CC[C@H](CCC)CC1	2017721467	KNOPNUBNTOMEGH-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(C[C@@H](N)CCC(C)C)CC1	2017726243	XTJCPXWNLVOPLI-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CC[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017727707	CPEWSSAPNFMRHM-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017727708	CPEWSSAPNFMRHM-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@@H]1CCC[C@H](C)CC1	2017742851	RGHCAEZMDCTROC-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)c1ccccc1	2018137130	RXPPVWRXOSSTLO-GOEBONIOSA-N	233.399	4.696	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC[C@H](C)CC1	2018139261	PRKVDCZDFNPKTE-JYJNAYRXSA-N	239.447	4.904	0	10	BJAE	
CCCC1(C[C@@](N)(CCC)[C@@H]2CC2(C)C)CC1	2018975790	PZMDDFLGFVKMSX-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)C[C@@H](C)C1CCC1	2019765955	GLMYQJNFGQPCBL-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCCN(C[C@H](C)C(C)(C)C)C1CCCCC1	2020534030	KIFPITBPUWJDEE-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@](N)(CC)C1CCC(C)(C)CC1	2020914972	ZSRXNXLZEGWBMX-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@](C)(O)C1(C)CCCCC1	2022447705	IBRFTUULCGNDIB-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@](O)(CCCCC(C)(F)F)C1CCC1	2023307666	UWKVPCDPQICGFZ-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@@H](C)CCC[C@H]1CCCC(C)(C)C1	2024091059	FCHXDEBVADTYFS-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)NC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	2026859364	VJRPYYWVUYBJAM-RPSHWRLHSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C(=O)C[C@H](C)c1ccccc1)C(C)C	2028257888	MXJGBDJUNYBTHR-HOCLYGCPSA-N	246.394	4.822	0	10	BJAE	
CCCN[C@H](C=Cc1ccccc1)C(C)(C)CC	2028587595	FJJYFRVVPGYLIC-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
Cc1ccc([C@H](O)CCCCCC2CC2)c(C)c1	2028620036	YSQAQCIJFHDHGQ-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
Cc1cc(C)c([C@@H](O)[C@H](C)CCC(C)C)c(C)c1	2029839184	XTMKPSNGJBHXFO-DYVFJYSZSA-N	248.410	4.718	0	10	BJAE	
CCC[C@H](C)CCNCCC=Cc1ccccc1	2029984350	DGSYFSLULWAUMR-INIZCTEOSA-N	245.410	4.506	0	10	BJAE	
CC(=CC1C[C@H](C)C[C@@H](C)C1)C[C@H]1CCCCN1	2031822334	ZYCUSCGYVUOFND-CKEIUWERSA-N	249.442	4.537	0	10	BJAE	
CC1(c2ccccc2NC2CCCCCC2)CC1	2032242699	LIIXZQLEWSSOTE-UHFFFAOYSA-N	243.394	4.873	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)CC1CCC=CCC1	2032294254	WPRYVKGIKZHULV-INIZCTEOSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC(N)([C@@H]2CCC3(CCCC3)C2)CC1	2037587089	RVICARYUIZALRE-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H](C2(CN)CC3(CCCCC3)C2)C1	2037691408	QADVFZBBJIZZPZ-CQSZACIVSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@H]2CCC3(CC3)C2)CC1	2038579966	RMTPJIFUZBOQPJ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NCCCC1CCCC1)C12CCC(CC1)C2	2039866259	WWAHEKWKKSBAPW-ODIFPOPNSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)c2cccc(C)c2)CC1	2041383773	PWEBARIOUHMCBD-VYDXJSESSA-N	246.394	4.635	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)[C@H]1CCCC(C)(C)C1	2045537695	CPMIPGUJLXCUFH-VGWMRTNUSA-N	249.442	4.523	0	10	BJAE	
C[C@H]1CC[C@@H](CNC2CC3(CCCCCC3)C2)C1	2046230463	SCINUYQVLXHWIS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CC23CCCCC3)C1	2047052142	KPVWTGRTIWNZLH-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C1CCCC(N[C@@H]2C[C@@H]3CCCCCC[C@H]32)CC1	2047435804	AAIZVCSRFVNIBH-USXIJHARSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](C1CC1)C1CCC2(CCCC2)CC1	2048118609	HPZWNDUZRVEYKA-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@@H]1CCCC12CCC2	2048868133	DPURYDPURNRVNT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@@]1(C)C=CCCC1	2050006398	MTSOVQBQTQTONV-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H]1CC2CCC1CC2	2051410147	YBKCBFCBZJOAHT-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](N(C)C[C@@H]1CCC=CCCC1)C1(C)CCC1	2052322105	CBNRTWHOEPEELM-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCCC[C@@H]1CNC[C@]1(C)CC=CCC1	2053386819	QHLVQGMYHYHKJT-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2055226738	MZEWIRRGWIIBSP-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1CCCCC12CCCC2	2055672573	URODZNPAZGUJJV-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CSc1cc(C(F)F)c(Cl)cc1Cl	2060061439	MEFLRHDQBYAHBO-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
CC(C)SCc1ccc(Cl)cc1Cl	2060328590	AYOYRWXAXLYDKK-UHFFFAOYSA-N	235.179	4.635	0	10	BJAE	
CC[C@H]1CC=C([C@]2(N)CCCC3(CCC3)C2)CC1	2061110741	KSFLJLODKYSTCZ-YOEHRIQHSA-N	247.426	4.565	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CC[C@H](C)[C@@H](C)C2)CC1	2061121926	KPABLNBMRKSCIN-MPTYRVRUSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC=C(C[C@H](N)CC2CCCCC2)CC1	2061143847	MVPGHDILOOHEHN-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H]1CCC[C@H]1C(C)C	2061559067	ZVJWKTUJMJYAOO-ULQDDVLXSA-N	249.442	4.548	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	2062652369	OCTMUXSXWQYHEA-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H](N)C[C@H](C[C@@H]2CCC=CCCC2)C1	2063642664	QNHANGIQQVRIEY-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@@H]1CCC1(C)C	2068232424	GBZJKRJOCZOPHT-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCc1ccccc1[C@@H](N)CC(C(C)C)C(C)C	2068836372	JYLVBTPZOCPMKZ-KRWDZBQOSA-N	247.426	4.567	0	10	BJAE	
CCCCC1CCC(N)(C[C@]23CCC[C@@H]2C3)CC1	2070969529	AYQPTKUCTVWQJA-JCCCHCCOSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C[C@@H]1C[C@@H]1CC	2071510746	KLZJVORAAUSOSG-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C(=O)CC2CC(=C3CC3)C2)CCC1	2071931404	ZKHFCNKVMJLUAJ-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)[C@@H]2CCCCC23CC3)CC1	2072798484	JVZJOSPDLCWDKZ-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2C[C@@H](N)CC3(CCC3)C2)CC1	2072821653	NOEASVUZWTULBF-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCC(=C[C@H]1CCCC2(CC2)C1)CNC(C)(C)C	2073789580	GFCSJTBBBVWIEM-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1ccc(C2CCC2)cc1	2079471901	BXMYGMIZWLLULR-CVEARBPZSA-N	242.362	4.573	0	10	BJAE	
O=C(CC1CC=CC1)[C@H]1C[C@H]1C1CCCCCC1	2079482561	DQMXDCXUPWYOGT-HOTGVXAUSA-N	246.394	4.518	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2C[C@H]2C(C)(C)C)cc1	2079621874	XWVMVYODLSNIGN-GOEBONIOSA-N	245.410	4.904	0	10	BJAE	
CC1CC(CC(=O)C[C@@H]2C[C@@H]2C2CCCCC2)C1	2079841514	JHVJYMIJVNQXNP-KWVKFQHESA-N	248.410	4.598	0	10	BJAE	
CSc1ccc(-c2cc(Cl)cs2)cc1	2080281700	ZLYWLELVYBXMMT-UHFFFAOYSA-N	240.780	4.790	0	10	BJAE	
CCCC1CCC(C=C(C)[C@@H]2CC[C@@H](N)C2)CC1	2082163291	YAPNOHKURYEVOU-BHUNQDJPSA-N	249.442	4.667	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1cc(C)cc(C)c1C	2082941732	JOQOYOZGGULZPY-KRWDZBQOSA-N	246.394	4.782	0	10	BJAE	
CCCC[C@H](CC)C(=O)Cc1cccc(C)c1C	2082948667	LGXUNKSISVKKAL-HNNXBMFYSA-N	246.394	4.631	0	10	BJAE	
CCCC[C@H](CC)NCC1C2(CCC2)C12CCC2	2083561652	XDEOBUZYGCXZCP-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
Cc1csc(C(=O)C2CCC3(CC2)CC3)c1C	2213637784	RVJGDHJUNIJPBL-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCCC[C@@H](NCC)C1(C)CC2(CCC2)C1	2215374786	MSOSVNDJIHZWMJ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCCCC(F)F)NCC	2216456875	LIRJOEBZGFKVIW-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
C(CCC[C@@H]1CC[C@@]12CCCNC2)CCC1CC1	2218728561	VAVZSKHUUUTAHQ-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC1CCC(C2CC2)CC1	2218867713	JVNHJNGIDWHBGH-ODIFPOPNSA-N	249.442	4.680	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CC=Cc1ccccc1	2219067321	SWJNOVPITSIKNE-DLBZAZTESA-N	246.394	4.523	0	10	BJAE	
CCCC(CCC)[C@H](N)CC=Cc1ccccc1	2219080582	DAXJGYNNTFVHNY-QGZVFWFLSA-N	245.410	4.634	0	10	BJAE	
CCN[C@H](CC1(C)CC(C)(C)C1)[C@@]1(C)C=CCC1	2221028372	PHVLULROLMQCFE-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CNC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222949152	MZDSZCWBCBNRKF-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
C(CCCNCC1(C2CC2)CC1)CCCC1CC1	2223154011	GSZXUZLDQXCIIA-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)c1ccc2occc2c1	2224177910	KCXDKOMXJRXFBP-SWLSCSKDSA-N	245.366	4.520	0	10	BJAE	
CCC(CC)CC(=O)CCCC[C@@H]1C[C@@H]1C	2243053724	WSVQBSDHORTCPM-GXTWGEPZSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](CC[C@H](C)CCCC(C)C)C(C)=O	2244851443	KWNMSZMZDPFJPW-UKRRQHHQSA-N	226.404	4.844	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)CCCC2CC2)C1	2246660191	OACWCXSXUBJZGQ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(=O)CC[C@H]1CCC[C@@H](C)C1)C1CC1	2246663926	NUULHQRGLPVVQU-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](F)(CCN)CC[C@H](C)CCCC(C)C	2250480698	HQQMBHSVYDICPI-CABCVRRESA-N	245.426	4.696	0	10	BJAE	
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CC(=CC[C@@]1(N)CCCC12CC2)CCCC(C)C	2316520855	PYNGGCPWDYFVGM-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
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CCC1([C@H](N)C23CC(CC(C)C)(C2)C3)CCCC1	2321589123	IDDVMUIJIPDMIO-UQPPLGOBSA-N	249.442	4.501	0	10	BJAE	
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c1ccc([C-](c2ccccc2)c2ccccc2)cc1	59523732	BPINQDBQLXHTHG-UHFFFAOYSA-N	243.329	4.706	0	10	BJAE	
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CCCCC[C@@H](CC)NC[C@H](C)c1ccccc1	83377766	DVYHAINODKWJGQ-DOTOQJQBSA-N	247.426	4.739	0	10	BJAE	
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CC(C)NCC1CCCCCCCCCCC1	89556532	QVMYXSCCLQMZHS-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CO)c1cccc(C)c1	93127833	FXOYOJGNZBBURQ-DOTOQJQBSA-N	248.410	4.677	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1)C1(CC)CCCC1	94900285	OLHVMQSNXIGITL-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
C/C=C\[C@H](C)Cc1cc(Cl)ccc1Cl	107564412	IOENIGMDJCPHIP-TYRPZCRBSA-N	229.150	4.748	0	10	BJAE	
CCCC(=O)C[C@@H](C)Cc1ccc(C(C)C)cc1	107635129	JAAVKGOQYSASIC-AWEZNQCLSA-N	246.394	4.748	0	10	BJAE	
CCCCCC[C@H](C)Nc1cccc(OCC)c1	109912012	SQITTYVOAALQCF-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CCCCCCC(=O)c1ccc2ccccc2c1	110446421	BALLISZXOQIEDJ-UHFFFAOYSA-N	240.346	4.993	0	10	BJAE	
CC(C)CCC[C@@H](CNC(C)C)C1CCCC1	128282776	YFYYNZMUHIFDDM-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)CC1CCCCC1	148224296	ZOJOHFYMUVRNFQ-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCC(C)(C)C[C@H]1C	155828512	PMSBYOCMECKHJW-UKRRQHHQSA-N	245.410	4.876	0	10	BJAE	
CCC(CC)[C@@H](N)c1c(C)ccc2ccccc12	160856373	MQPKCCFHQYSIDJ-QGZVFWFLSA-N	241.378	4.584	0	10	BJAE	
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CC(C)NCc1sc2ccccc2c1C(C)C	161568617	QFZSXTRPOJPWHZ-UHFFFAOYSA-N	247.407	4.523	0	10	BJAE	
CCCCC(=O)[C@@H]1CCCC[C@@H]1CCCC	196679746	FMZCHUZUNHOQHI-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CC[C@H]1[C@@H]2CCCCCCCCCC[C@H]2[C@@H]1O	225153865	RRZWBPBDTAGFHB-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)c1ccc2oc([C@H](C)NC)c(C)c2c1	232350894	AUHZGNOZHSVOIY-JQWIXIFHSA-N	245.366	4.535	0	10	BJAE	
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CC(C)c1c[nH]c2ccc(C(C)(C)C)cc12	232767769	ICWAHDYHDSUULA-UHFFFAOYSA-N	215.340	4.589	0	10	BJAE	
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CC[C@H]1CCCC[C@@]1(N)CCC1CCCCC1	302269317	QUCBOFMJODZUEB-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
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CC(C)C[C@H](C)Oc1ccc(C(C)C)cc1	304520587	PHRDLAYLAPLNRH-ZDUSSCGKSA-N	220.356	4.623	0	10	BJAE	
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CCN[C@@H]1CCCC[C@H]1C[C@@H](C)CC(C)(C)C	709102853	NELCOYGGADYDNB-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
Cc1cscc1[C@@H](N)C[C@@H](C)CC(C)(C)C	709162912	ISVKKRZQHQJXHK-MFKMUULPSA-N	239.428	4.519	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CCCC2(C)C)c1	709714448	YGXIKLFWRVUGMU-MRXNPFEDSA-N	245.410	4.802	0	10	BJAE	
C[C@H](C[C@@H](O)c1ccc(C2CC2)cc1)C(C)(C)C	710784838	GAVURZNDPZTXFL-MLGOLLRUSA-N	246.394	4.670	0	10	BJAE	
CCCNC[C@@](C)(C[C@@H](C)C(C)(C)C)C(C)C	711176688	SNGZKUVLWQCYCS-GDBMZVCRSA-N	241.463	4.721	0	10	BJAE	
CC[C@H](CC(=O)c1cccc(C)c1C)C(C)(C)C	711185976	YCNIWPHIMQPKDK-CQSZACIVSA-N	246.394	4.949	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NC[C@H]2C=CCC2)CC1	711687474	SHULBRLHCCGJES-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)n1[C@H](C1CCCC1)C1CCC1	711878809	COONRTUBYZLMPU-MRXNPFEDSA-N	231.383	4.636	0	10	BJAE	
CN[C@@H](CC(C)(C)C)C1(CC(C)C)CCCC1	713139424	ISINDNSPWURJSV-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)C1CCCCCCC1	713355823	QRMOHQNLMIDQBH-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)C2CC3(CCC3)C2)C1(C)C	717540816	HJHSKRBMSUSLJB-WBMJQRKESA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@@H]1CC(C)(C)CC[C@@H]1C)c1ccco1	717548201	DEVZXPHRLMIAEH-MELADBBJSA-N	249.398	4.535	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CO)CCC=CCCC1	718974094	XQCNTJLGDCANKY-INIZCTEOSA-N	236.399	4.622	0	10	BJAE	
CCCC1([C@H]2[C@H](C)CNC23CCCCC3)CCC1	721043672	DVJFZTVOCYRKJQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	723637755	TZMSGONRKCUWGB-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)N(C)C[C@@H](C)CC(C)(C)C	1643311864	CCAXUYMVOVDDLI-UONOGXRCSA-N	227.436	4.569	0	10	BJAE	
Cc1ccc(CS[C@@H](C)C(C)C)cc1C	1643739059	CCWLSWJYROBKLQ-ZDUSSCGKSA-N	222.397	4.581	0	10	BJAE	
CCCCN(CCCC)C[C@H](C)CC(C)(C)C	1652607168	SVYZWPRXXXQSDG-OAHLLOKOSA-N	241.463	4.961	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC2(CC3CC3)CC2)CC1	1663164873	IEQIQEKNTFHVNZ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCC12CCCCC2)C1CC1	1875416958	AHNBRDCSOBMNKG-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CC(C)C[C@H](C)N(Cc1ccccc1)CC(C)C	1880409298	LJAKCVXJOYFYLE-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@@H](C)CC1CCC1	1899416517	NCIHTBCYRMCVAO-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)C1CCCCC1	1905363077	SRRCTICNOWVKTM-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC(C)[C@H](C)CC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	1909138403	DCZFUXJUJVOCBQ-XJKCOSOUSA-N	238.415	4.700	0	10	BJAE	
Cc1cccc(C(=O)C2CC3(CCCCC3)C2)c1	1912628199	IIVAGYVPYAMMPH-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
C[C@@H](CC1(N)CC2(CCCCC2)C1)C(C)(C)C	1912705058	XCAXRKMJNHTTDO-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC1CC(C[C@H]2CCCCCCCCC2=O)C1	1913384783	RQIZSIFEPQXITP-YMAMQOFZSA-N	236.399	4.742	0	10	BJAE	
CCNC[C@]1(C[C@H]2CCC[C@H](C)C2)C=CCCC1	1916561615	BEBFNZRKCFYIEO-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCCC1CC(C(=O)CC2CCC=CCC2)C1	1921270095	ADLUZJZCXITTIN-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCCC1CC(C(=O)C[C@H]2CCC[C@H](C)C2)C1	1921275931	PHSJCMRNSBZEIX-LQULJDIASA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC1C[C@H]2CCC[C@H](C1)C2	1923468520	HPSUEYDIQMMTKB-LJIGWXMPSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)CNCCC(CC)CC	1926174051	CVDCXMTYPDXZRL-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCC(CC)CCN[C@@H](C)c1cc(C)ccc1C	1926176522	NQQXCEPOROKYBR-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1cc(Cl)sc1C	1933700979	FZVPOBRPMXTDIY-GZMMTYOYSA-N	245.819	4.536	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)CCCC(C)(C)C	1939040759	BIRUGBSVACDAMX-UKRRQHHQSA-N	227.436	4.602	0	10	BJAE	
CC1(CCC[C@H](N)[C@@H]2CCCCC2(C)C)CC1	1940873516	BXERUUXCSJNJMV-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(F)c1ccc(N)cc1	1940966671	LMWIISKKPBXCKW-OAHLLOKOSA-N	237.362	4.670	0	10	BJAE	
CC(C)C[C@H](C(=O)CC1CC(C)(C)C1)C(C)C	1941261165	PFYOTIWVTSFDSA-AWEZNQCLSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C(=O)CCC1=CCCCC1)C(C)C	1941267369	QUNQWMCANYQXDO-HNNXBMFYSA-N	236.399	4.908	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H](CCC)C(C)C	1941273041	PEMUODSIPMOINB-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CCC2CCC2)CC1	1941473840	VBOVQXZLFKTDOX-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)CCC(C)C	1941587580	UKABVVFVCNHVGD-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)c1cccs1	1941811631	AQEGLOHKEKNMSG-AWEZNQCLSA-N	249.423	4.535	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1(C)CC(C)(C)C1	1941987989	OMBHRGMFUQUPHT-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@@H](C)CCC(C)C	1942654661	BZDHTYIHJWRFHB-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](C)O[C@@](C)(O)CCCCC	1942890189	UNIRQIJOOWABNB-HUUCEWRRSA-N	244.419	4.651	0	10	BJAE	
CCCCCCC(=O)CC1C[C@H](C)C[C@@H](C)C1	1944198941	JHVMEPQWPOMHDP-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC1(NCCC[C@H]2CC2(C)C)CCCCCC1	1945611121	VVFHEWAYARAGQA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCCCC1(C)C	1947445324	ACVRGUPBZQNLRX-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(O)CCCCCCC2)C1	1947546993	OGFNIGWMXYQBPR-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCC1(C)CC([C@@H](N)C[C@H](C)CC(C)(C)C)C1	1948409778	UQGRFTAZHRFEQW-REWIBIJMSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@@H]([C@@]2(O)CCCCCC2(C)C)C1	1949435678	UOQKKOWYRUMWBI-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CCC(N)([C@H]2CC[C@@H](C)C2)CC1	1949550426	CYAHAEYIWNWVPB-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CCC1(O)CC(C)(C)C1)C1CCCCC1	1949932316	ZTZPRXMQWQNTBR-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@]1(C(C)C)CCCC(C)(C)CC1	1950920467	VVTQDNUOSLRURN-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCCC[C@H]2C2CC2)C1	1963181201	AUNBNOUZSNKKIF-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCC[C@@H](C2CC2)C1	1963228043	AXTFNZMWEQBDLM-OWCLPIDISA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCCCC1(C)C	1969953394	CWUVBJFUOUJWSM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H](C)c1ccoc1	1970466786	DIPCMJGVZXIISY-CZUORRHYSA-N	249.398	4.679	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1N[C@H]1CCCCC12CCC2	1972821089	ZESNSOQOYZEYNU-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1csc(C2(C)CCCCCC2)n1	1981427298	JWHHKZQRWKEPCA-UHFFFAOYSA-N	237.412	4.878	0	10	BJAE	
CC=CCCC[C@@H](O)C[C@@H](CC)C(C)(C)C	1984608916	YTSWLAPCFCBRTD-ZIAGYGMSSA-N	226.404	4.556	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H]1CC[C@H](C)CC1	1989771245	YIBHCKOSQSYHKO-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@](N)(CC)CC[C@H]1CC1(C)C	1990090395	BCHMIXQIRBFBTP-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC1(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)CCCCC1	1995691910	UZPNRHDVBJVBEB-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CC[C@](O)(C1CCCCCC1)C1CCCCC1	1996547314	NMVSKCBMNZTZBH-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
Cc1cccc(Cl)c1NCC12CCC(CC1)C2	1997005226	BAUYORZNFKYJTA-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)[C@@]1(C)CC=CCC1	1997554791	UUJWSNWFCMUMAM-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCCNC[C@]1(C)CC=CCC1	1997580527	CXNQAVKXOUANLL-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C1CC(C(C)(C)C)C1	1998259174	QZGHIJSNUHTEGR-JXQTWKCFSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)[C@@H]1CCCC(C)(C)C1	2000142274	CVPLXUGTEOXBPH-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@@H](C)C(C)(C)C)C1	2000169086	NPOYNWTZFNEVLL-YUTCNCBUSA-N	236.399	4.620	0	10	BJAE	
CC[C@H](CC(=O)C(CC)(CC)CC)CC(F)F	2000214704	HGKCIWGFMHYKOG-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
CCNCC(CC)(CC)[C@H]1CCC[C@H](CC)C1	2000500634	WPSYJKNLCKXZTD-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CN(C1CCCCCC1)[C@@H]1CCCCC1(C)C	2000765904	AXTFODISJJBJRK-OAHLLOKOSA-N	237.431	4.610	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)[C@H](C)[C@H](C)CC	2003176597	PQZMEVMBSXMYRR-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1CCC2(CC2)C1	2003286654	YTVRWIAVMGOWIR-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC[C@@]1(C)CCCN(CC(C)(C)C(C)C)CC1	2004339542	QDHTUCUJEMRZLN-INIZCTEOSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CO)CCCC[C@@H]1C	2005586723	PXIARXWEBJSEKJ-HRCADAONSA-N	240.431	4.782	0	10	BJAE	
CCCC[C@@]1(CNCCC)CCCCC1(C)C	2005593780	CHWOPDSVHXHGAH-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C1(C)CCC(C)CC1	2007699689	YSHPNDBNFRHHES-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CC1CCC([C@@H]2CCC(C)(C)CCC2=O)CC1	2009403638	DZABXLZGMWITHR-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H]1CCCCC[C@@H]1NCCC	2009616103	FZXJWNQNBXFEHP-TVKHYIBRSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(O)([C@H]2CCC[C@H](C)C2)C1	2009715571	GWNUSQYSCTXSQY-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H]1C[C@@H](CCCC(C)C)CC(C)(C)C1	2012064177	UBFCIHMZSGDGII-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(=O)C[C@H](CCC2=CCCCC2)C1	2012080293	BULOHWUZEXCDQM-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCCC1(O)CCC2(CCCCCC2)CC1	2013201165	AYWRODAFXZZXGI-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@@H]1CC12CCCC2	2013266915	LVFDLBQDGSZAEF-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H]1CCC1(C)C	2014845365	FBPONTVMHCSKJO-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(CC(=O)[C@@H]1CCCC1(C)C)C(C)C	2015385341	DDJPOJWGBNWDMQ-AWEZNQCLSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H](C)C(C)C)CC1	2015394446	ODMPAEMWMRVSEU-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCCC1(CC(=O)[C@@]2(C)C=CCCC2)CCC1	2015597920	MZSSXDIMULOKAS-HNNXBMFYSA-N	234.383	4.662	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CC1(CCC)CCC1	2015631211	DWKGWRQLFQUUKM-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCC(C)(C)C2)CCC1	2015643172	YYXNNGKLGDOQBY-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@H](C)C1CCCCC1	2016830131	DDWZKHBWAVQHGX-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)CC(C)=C(C)C	2017461269	HTKBDLOWAFHCLR-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H](C)CC(C)(C)C	2017473929	YVPGCGVXDUAMLE-DZGCQCFKSA-N	239.447	4.783	0	10	BJAE	
CC1CCC(N[C@]2(C)CCCC(C)(C)C2)CC1	2017622664	KVOIWSDZNAIPIY-ZBCRRDGASA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCCC[C@]1(O)C[C@H]1CC[C@H](C)CC1	2017651620	WUMZZAHBXUBPET-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CC[C@@H](C)CC2=O)CC1	2017771878	YXRRBUKYUJJPCH-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C[C@H]2CC[C@H](C)CC2=O)CC1	2017777137	YXRRBUKYUJJPCH-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)C1=CCCCCCC1	2018130508	JHCVFYVKKKLRPU-MRXNPFEDSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@](N)(CC)CC12CCC(CC1)C2	2018133140	AKAGPMIFKBQOCS-UYSNPLJNSA-N	237.431	4.645	0	10	BJAE	
CCCN(CCC1=CCCCC1)C1CCCC1	2019339465	BLXROVNCHBSPSU-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(O)CCCCC[C@H]1CC	2022455098	SRILFQUZPNCREH-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC(C)(C)C[C@@H]1NC	2023610181	GYVLLEYZCUSUHU-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C(C)(C)C)CC(C)(C)C1	2024091025	DTNLCDCPDQTYKI-CYBMUJFWSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](N)CC1CC(C)(C)CC(C)(C)C1	2024092345	QGQGTWDPEWHPRD-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CC1(C[C@H]2CCc3ccccc3N2)CCCCC1	2027302732	XLKVKZCAMCJXAK-OAHLLOKOSA-N	243.394	4.774	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@H]1CCCC2(CC2)C1	2028646037	UVSSENUJXQIFKG-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCCNC[C@@H]1CCC[C@H]1CC1CCC=CCC1	2028876306	YRVHXFMAZBCNIE-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	2032305532	IVXXTDFEBWKVQI-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C(=O)CC2[C@H]3CCCC[C@H]23)CC1	2032776343	MVPXPFDXGLZCJT-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(N)C[C@H]3CCCC[C@@H]3C2)C1	2034158688	KGMLAQRPRYRKQS-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@H]2C=CCCC2)cc1	2035595138	WTJXIOJPZBDPCW-YOEHRIQHSA-N	244.378	4.590	0	10	BJAE	
CNC[C@@]1(CCC2CCCCC2)CC12CCCC2	2036095452	QBZQCFLIBCDMFU-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@H]3CC[C@H]2C3)CCCCCC1	2037076295	VJSFCCNYJCUMLZ-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1)C1CCC1	2037161257	YWQSPMFRMVWIKK-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C[C@H]2C=CCCCC2)C1	2037276182	VSKAALZTQRMCEF-YYIAUSFCSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1N[C@@H]1CCC2(CC2)C1	2038580120	SNISOPUBLOJWFS-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@H]1CC12CCCCC2	2039084808	JDPSMPKHHFBUCL-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](CNC2CC3(CCC3)C2)CC1	2039386625	RVABZKGLNBIHAT-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2041378873	HGOZUSABZBBHRC-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@]1(C)CCCCC1(C)C)c1ccccc1	2041830218	DUKIWKFJGHDZLA-WMLDXEAASA-N	245.410	4.696	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)[C@@H]1CC=CCC1	2042025982	ZXEKKKBEGZQZAH-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCC1(CNC2(C3CC3)CCCCC2)CCC1	2042946501	GLCAHZGJBXSJBF-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC1(C)C)[C@H]1C=CCCC1	2043187750	ODTOHTNIKNXBSE-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC2(CCC2)C1)C1CC(C)(C)C1	2043541518	SVNMQFKQDXLAJG-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CC1CCC([C@H](N)C[C@H]2CCC=CCCC2)CC1	2045314118	HAWHYXRSEJEPGQ-ODZFXCKXSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)C[C@@H]2CCC=CCCC2)C1	2045324580	XCGYUDZYFICCCM-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc(NC2CC3(CCCCCC3)C2)c1	2046226442	JATPIDZXISYBIG-UHFFFAOYSA-N	243.394	4.910	0	10	BJAE	
CC[C@](N)(C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2048442047	BEADXRFKMVLYNM-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC(C2(N)CCC3(CCC3)CC2)C1	2048618781	JDLQLNPEXAXTBN-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(N[C@@H]2CC3CCC2CC3)CCC1	2049672275	KPISUNOVTVNGBM-VMBOVVBDSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(N)CC1CCC2(CC1)CC2	2049855471	JIFWGQYFYFXPES-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@@](N)(C[C@@H]1CCC2(CC2)C1)C1CC1	2049861751	VHBPBOQKEYYQHU-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)c1ccc(F)cc1	2050495676	WOTFSXZLDHXSPH-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CCC(C)(C)C[C@@H]2C)CCC1	2055550420	BRYJFAIBMZWZQC-NUEKZKHPSA-N	249.442	4.680	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H]2C=CCC[C@@H]2C)CC1	2055576991	CELCAYAEUHAGAW-UCMFOZJVSA-N	249.442	4.536	0	10	BJAE	
C[C@@H](CNc1ccc(CF)cc1)C1CCCCC1	2055678488	RCHUHOZPQGAGAG-ZDUSSCGKSA-N	249.373	4.784	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)[C@H]1CC=CCC1	2056644715	FLBMJBWJLFBMIA-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CC=C(C)[C@@H](NCCC)c1c(C)cc(C)cc1C	2056780546	CBBQBUHEMUMNDC-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCC3(CCC3)NC2)CC1	2057367036	OMFSCPRFGOYBDQ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H]1CCC2(CC2)C1	2059251938	CXMMUIMIFCNOSJ-BYQDXSGLSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(NC[C@]2(C)CC=CCC2)C1	2059393284	CZJYOUZCEYNLHV-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(N[C@H]2[C@H]3CCCCC[C@H]32)C1	2059394293	SRDJVIRKZLZAAO-BOXKHOIUSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)CC[C@@H]2CC2(C)C)CC1	2061140980	RCQUNBLMFCVEKJ-BMFZPTHFSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@]1(O)CCCC[C@@H]1C1CCCCC1	2061560010	ATRHKCFTJPHRRT-SJORKVTESA-N	248.410	4.609	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)CC[C@]12CCC[C@H]1C2	2061603146	RMDWVBMGKBFNTJ-SJCJKPOMSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(CC)CN(C)CC1CC(=C2CCC2)C1	2061860988	DFRXBITWMJBGNX-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCc1ccccc1N[C@H](CC)c1occc1C	2063671022	HUVDTNMELJZZNF-CQSZACIVSA-N	243.350	4.714	0	10	BJAE	
CCC[C@@](N)(C1CCC1)C1CC2(C1)CC(C)(C)C2	2063803012	DEQNAYBGQOZTHW-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C23CCCC2CCC3)C[C@H]1C	2063850019	CELRUUVIHXTETL-QVODRESKSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](NCCC)C1CC2(C1)CC21CCC1	2064003561	ZGPMMTPYPBVVLT-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)[C@H]2CCC2(C)C)cc1	2068295219	BMAWVOAGNIOOEY-APHBMKBZSA-N	245.410	4.636	0	10	BJAE	
C[C@H](NC[C@@H]1CCC=CCCC1)[C@H]1CCC1(C)C	2068336010	AKHZYJBNXLQSPC-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@H]1CC12CCC2)C1CCCCCC1	2069202665	PLNGTZZGPFHVIG-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@@H](NCC)c2cc(C)oc2C)CCC1	2069337375	KQZVMIUEBPISNP-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)[C@H]1CCC2(CCCC2)C1	2070296261	QZFKNOJGMBDEQZ-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H](NCC[C@H]1C[C@H]1CC)c1ccccc1	2071467466	WGKFFQPCRXXEBK-PVAVHDDUSA-N	245.410	4.554	0	10	BJAE	
CC(C)(C)C1(C[C@H]2C(=O)C[C@H]3CC[C@H]2C3)CCC1	2071912775	JVOSPCCOEQTGBB-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@@]12CCCC[C@H]1C2	2074032458	FPSRZUJUGMXKPK-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)[C@H](C)c2ccccc2)CC1	2074794518	KSDBZNSCCKCQIB-INMHGKMJSA-N	245.410	4.648	0	10	BJAE	
C[C@@H](C1CC(C)(C)C1)N(C)[C@H]1C=CCCCCC1	2074811039	SVRGKIBRCZMGDK-HOCLYGCPSA-N	249.442	4.632	0	10	BJAE	
C1=C[C@@H](Nc2cccc3ccccc23)CCCC1	2075364286	WLBSWGLJJWUKCN-OAHLLOKOSA-N	237.346	4.751	0	10	BJAE	
CCCCc1ccc([C@@H](O)CCCC(C)C)cc1	2077927166	BOYFCCCHPVVNHF-KRWDZBQOSA-N	248.410	4.889	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@H]1C[C@H]1C1CCC1	2079303686	PNZKZIKEIOQLRX-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](NC)c1cccc(C(C)C)c1	2079444818	VRTMWUGTOOZZPK-PVAVHDDUSA-N	245.410	4.507	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](N)c1ccc([C@@H](C)CC)cc1	2079518177	GKGDTSTYEOUNTI-NKKGCODLSA-N	245.410	4.636	0	10	BJAE	
C[C@](N)(CCC1CC1)C[C@@H]1C[C@H]1C1CCCCC1	2079821015	TWXSFNUDFGRXFI-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@H]2C[C@H]2C2CCCCC2)C1	2079843602	RMZMALPGMMTKMQ-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1[C@@H](N)C[C@@H]1CCC=CCCC1	2079991949	YBLWZEDLQKXHJL-FPCVCCKLSA-N	249.442	4.523	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](C)[C@@H]1CCC1(C)C	2081946993	NMEVICRZKZYBAL-FZMZJTMJSA-N	249.373	4.625	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](NC)c1cc(C)cc(C)c1C	2082929295	CMIWZKRCWBTZJO-NUTKFTJISA-N	247.426	4.555	0	10	BJAE	
CC(=O)c1ccccc1SCCCCC1CC1	2214551622	HDCWMXTWUWUIGI-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2CC[C@@H]2C)CC1	2215107747	CPOYWAJANGJJSJ-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC[C@H](N)CC1CCCCC1	2215243916	GDJAPHOOSAVZOH-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C(C)(C)CCC	2216284966	HFOLVTCCATXZKE-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@]1(C)[C@H](N)CCCCCCCC1CC1	2216880456	VNOKKXIADLMIQX-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@H](CC(C)(C)C)C1CCCC1	2217125364	OTCZEXAARCPJPS-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@]1(CN[C@@H](C)CC)C=CCC1	2217130562	PCZRTUQIVXIBLH-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(NC2CCC(C3CC3)CC2)c1F	2218895444	VKNQWHSFXIVGFG-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)C1CC2(CCCCC2)C1	2220959476	KKFRYEDVIBCJKH-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@]1(CNC2CCC2)CCCCC12CC2	2223563715	WAWCHZQQKYOGPE-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(C2CCC2)CCCN1CCCCCC1CC1	2223857004	KAFRCUPISDRYML-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1cccc2ccoc12	2224156879	LYPLLXQUOZEIGZ-HNNXBMFYSA-N	246.350	4.683	0	10	BJAE	
CCC1(C(=O)c2ccc3occc3c2)CCCC1	2224196608	SZKYUGWNKGFZSD-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCC(CC)C(=O)CC[C@H]1CCC[C@@H](C)C1	2242770248	NCTSRBUXNVCJBR-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC1CC2(C1)CC(C[C@@H]1C=CCCCC1)C2	2243001144	ZYEOEKTZJRPSCA-PYEOEOCKSA-N	218.384	4.949	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)c1cccs1	2243030348	KWZMBCTZJJLSNW-RYUDHWBXSA-N	236.380	4.537	0	10	BJAE	
FC(F)(F)c1cc(CC2=CCCCC2)cs1	2243245333	LPOWGPBRMUELAN-UHFFFAOYSA-N	246.297	4.810	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1ccc(C)cc1Cl	2244786240	YZIIMBLPDSRRFD-RISCZKNCSA-N	240.774	4.508	0	10	BJAE	
CCCNCCCC[C@@H](C)CCCC(C)C	2244845341	OHOFSRXXTQYFOZ-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CC[C@@](N)(CC1(C)CC(C)C1)C1CCCCC1	2246520741	WENHGXJFCRASAQ-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CC[C@@H](C)C(=O)C2)C1	2246665565	SEUOLTHHULOMCG-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CCCC[C@H]1C[C@@H]1C	2247162120	ATABXUJMSGMHEX-XUWVNRHRSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CCC1(C)C)NCCC	2247430000	BANVRMOADVCADG-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC[C@@H]1CC1(N)CCCCCCCC1	2247441222	FXNACEZXWLJKRX-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCc1ccc(CNc2cscc2C)cc1	2248197540	HSNKQRNSNCYSBN-UHFFFAOYSA-N	245.391	4.621	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](F)C(C)(C)CN	2250481311	LKPMVKMAJXHQMI-KBPBESRZSA-N	245.426	4.552	0	10	BJAE	
C[C@H](CC(=O)[C@]12CCCC[C@@H]1CC2)C(C)(C)C	2251130421	ZVHFUVLQAYORPD-IOASZLSFSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]([C@@H](O)c1ccc2ccsc2c1)C(C)(C)C	2253089111	ZZMWIPMJKPGONZ-IINYFYTJSA-N	248.391	4.617	0	10	BJAE	
C[C@H](C[C@H](N)CC[C@H]1CCCCC12CC2)C1CC1	2253807279	JTKQEVRPDNMQHC-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
C=C=CC[C@H](CC[C@H]1CCC[C@H](C)C1)NCCC	2253928080	DQVADQOHAWCEIE-GVDBMIGSSA-N	249.442	4.692	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(N)C[C@H]3CCC[C@@H]3C2)C1	2253994425	DZSVDUMIIYDCIF-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1=CCCCC1)NCCCC[C@H]1C[C@H]1C	2254546431	XCAWHTMHWWCGJL-INMHGKMJSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(C(=O)CCCC[C@@H]2C[C@@H]2C)cc1	2254606542	GACKWSMSCHEAMB-XJKSGUPXSA-N	244.378	4.648	0	10	BJAE	
CCNCc1cc(C(C)C)cc(C2CCCC2)c1	2254726219	HYNYFJMVBUJRFV-UHFFFAOYSA-N	245.410	4.577	0	10	BJAE	
CCCc1ccc([C@@H](C[C@H](C)C(C)C)NC)cc1	2256291495	FLVCSIHUZKBION-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC=C[C@]1(C)CNC(C)(C)C1	2257251397	FUKKLUKDJOEFRK-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC=C1CCC[C@H](CCN)C1	2257254556	HCJVHVZBAHEWKG-DJIMGWMZSA-N	249.442	4.668	0	10	BJAE	
CCC[C@@H](CC)C(=O)Cc1ccc(C(C)C)cc1	2259448587	RNMLOJRBLQGNBU-OAHLLOKOSA-N	246.394	4.748	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CC2(C1)CC(N)C2	2259617568	XRPOAZMCAZFAEW-OOHWJJMZSA-N	249.442	4.667	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@@]23CCC[C@H]2CC3)CC1	2260686035	QPJUIEQJVRDDMN-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
CN(CC1=CCCC1)[C@@H]1CC(C)(C)CCC1(C)C	2261434067	GWPQGMFLVBVXRO-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1cc2ccccc2s1	2300869055	FIWWOBLLAWTHQT-CYBMUJFWSA-N	246.375	4.681	0	10	BJAE	
CC(=CC[C@](C)(O)[C@H]1C[C@H]1C)CCCC(C)C	2300916954	UOHIANCODADLKS-PMPSAXMXSA-N	238.415	4.556	0	10	BJAE	
CN[C@H]1CCCC[C@H](CC2CCCCCC2)C1	2301142564	KKXWPSUGEBTXHW-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC(C)CNCC(C)(C)CC1CCCCCC1	2301244523	NBDAUUBSFBVOEK-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@H](c2nc([C@@H]3CC3(C)C)cs2)C1	2302263359	UPPSKILKHJOKNO-QWRGUYRKSA-N	249.423	4.950	0	10	BJAE	
CN[C@H](C)[C@@H](CCCC1=CCCCC1)C(C)C	2302327351	YCMLCSOGCDSAPK-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)CCCC1=CCCCC1	2302362065	UWMCHZZJZCFMQB-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H](CNC2(C)CCCCCC2)C1	2302674279	ZSFXOADFSWCAHN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CCC(C)(C)C2)C1	2302900144	BXXKUBQXARZEJH-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
C[C@H](CN(C)CCCC1(C)CC1)CC(C)(C)C	2303257772	ZNCYZQOBCLQXDW-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CC1=C(C)C[C@](CO)(CCCC(C)(C)C)CC1	2303582337	HRUGLHGFVYLLFR-INIZCTEOSA-N	238.415	4.702	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CCC(C)(C)C2)cc1	2304416218	QXQLBKOBXHMMQO-AWEZNQCLSA-N	232.367	4.590	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](O)CCC2CCC2)C1	2304431861	OYOOPSYTLZVKEW-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1CCCCCCC1	2307843183	KTQGAZPIIYAWIF-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309164464	UJXWCBZYUBIYQI-WZCNAGQFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](NCCC[C@@H]1C[C@@H]1C)c1ccccc1	2310445159	WWZXBGVSZHRJKN-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
CC(C)[C@@]1(C[C@@]23CCCC[C@@H]2C3)CCCCCN1	2311146315	PGZJBGQPROLLQL-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@H]1CC)[C@]1(C)CC=C(C)CC1	2312521413	VKERFXMGWPVLJN-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H](C(C)C)C1CC1	2317919111	BHVARUCNYPHCFL-INIZCTEOSA-N	249.373	4.796	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CC(C)(C)[C@H]1C	2318187525	DCIWAFQIVFZASU-NHYWBVRUSA-N	249.373	4.796	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@@H]1CC=CCC1	2318579630	IHAOIKSGJSNODP-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCN(CCCC1=CCCCC1)C1CCCCC1	2318588124	XREGSYSQLJFZSD-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
NC1(CC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1	2318857834	JCJAAJJLJMRWTB-HRCADAONSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H]1CC[C@@H]1C(C)(C)C	2320101352	NTLRFVQQHBEUAJ-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2320151210	GFXQPVTXRKIWGW-WVZRYYJFSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC[C@@H]1C[C@@H]1C)C[C@H]1CCC(C)=C(C)C1	2320410480	FAKRSHVIUSNJAU-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1O[C@H](CC1CC1)C1CC1	2320808298	RGUJBFDAXUWQNA-QGZVFWFLSA-N	244.378	4.768	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cc(C)ccc1C(C)C	2327656995	HLBTZTXAQYTBAL-INIZCTEOSA-N	247.426	4.945	0	10	BJAE	
CCc1ccc([C@@H](C)N[C@H](C)CCC(C)C)cc1	21041910	QXYIYXQUOILOMW-HUUCEWRRSA-N	247.426	4.724	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(F)cc1C	21504806	OZFYRTAMBHXETL-BXUZGUMPSA-N	237.362	4.761	0	10	BJAE	
CCC(CC)Nc1ccc(Cl)cc1Cl	21803023	GNMYUDNBHOZTLH-UHFFFAOYSA-N	232.154	4.594	0	10	BJAE	
CCCOc1cccc(NC(CCC)CCC)c1	36995531	NEUYZHACMMLWSM-UHFFFAOYSA-N	249.398	4.856	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC[C@@H]1C(C)(C)C)C(C)C	37271885	XTCBMOMMTCNURE-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CC(C)c1nc2cc(-c3ccccc3)ccc2o1	62532471	IMULFCGGVGXGSF-UHFFFAOYSA-N	237.302	4.618	0	10	BJAE	
CC(C)c1ccc(NC(=N)C2CCCCC2)cc1	62988833	JPWBHSJPJWTHNE-UHFFFAOYSA-N	244.382	4.779	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H](C)C1CCCC1	71085685	QFJYIXKOQXXSRH-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1[C@H](N)CC(C)(C)C	83266999	PINPMATZJALQMN-OAHLLOKOSA-N	247.426	4.729	0	10	BJAE	
CCCNc1ccc(Oc2ccccc2C)cc1	83369627	NTESVFSRKHXWFV-UHFFFAOYSA-N	241.334	4.609	0	10	BJAE	
CCCC[C@H](CC)CC1(N)C[C@@H](C)C[C@H](C)C1	84469843	IOVLNIKWSMFHQK-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC1(O)CCC(c2ccccc2)CC1	87163736	MOUARZCTWCXRKB-UHFFFAOYSA-N	246.394	4.512	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C2CCC(C)(C)CC2)C1	87940979	PHEKIXILRMQPIX-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](N)c1cc2cc(C(C)(C)C)ccc2o1	88074754	BHQCWXZHUGKFSG-ZDUSSCGKSA-N	245.366	4.530	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCC)C1CCCC1	103943411	PODUHIRDVYTZRU-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](NC[C@@H](C)CC)c1ccccc1	103973280	NWNMFTVDIKDMFP-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
CCCC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1NCC	109666399	MVCXWXHQDPHCSE-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@H](NC1CCC2(CCCC2)CC1)C1CCCC1	129398664	HTIZBSSXEPGKQW-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1csc(CSc2ccccc2)n1	131936696	QHTGEDKRTRTQCV-UHFFFAOYSA-N	249.404	4.559	0	10	BJAE	
CCCC(CCC)[C@@H](NC)c1ccc(C)s1	132913511	HPPAARZAIVHPIR-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CN[C@H](CCC(C)(C)C)c1c(C)cc(C)cc1C	163349259	WONWTZLNIMORGO-OAHLLOKOSA-N	247.426	4.699	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)c(C)c1	166086278	QSMGEJOYPXGSBC-UMVBOHGHSA-N	244.378	4.558	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)c1cc(C)c(C)cc1C	168702336	BIBMJUNVFIDXJW-YVEFUNNKSA-N	247.426	4.699	0	10	BJAE	
Cc1ccc(Cl)cc1[C@H](N)C1=CCCCCC1	213320267	RKBFHODDPBCNHB-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@H]1CC[C@@H](C)[C@@H](C)C1	221314824	DMAMDLOEJLRFLJ-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCC[C@@H](CC)C1	227378890	FNJPDEAAPRGPQD-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
Cc1cccc([C@@H](O)C[C@H](C)CC(C)(C)C)c1C	229347377	HAJZGHXKLFWNCL-LRDDRELGSA-N	248.410	4.799	0	10	BJAE	
CCC1(CN[C@@H](C)C2CCCCC2)CCCC1	233081258	MXKKOJBREIGBRA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(C(C)C)cc1	233348582	XIUFWLIPPXKYAU-AWEZNQCLSA-N	219.372	4.801	0	10	BJAE	
Cc1cc(F)cc(C)c1C(=O)C1CCCCCC1	235738300	WGOFWUDDJFZJMU-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCCCCCC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	253195052	RBZFIUCLKAYXGP-WDNDVIMCSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(Cl)c(NCCC2CCCC2)c1	300737496	HNEHXZMKYZIYJK-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCCCc1ccc([C@H](N)[C@@H](C)CCCC)cc1	302308237	FPGGZCBIFZIOPC-WMLDXEAASA-N	247.426	4.855	0	10	BJAE	
CCCc1ccccc1NCCCC(C)(C)C	305954114	VHEAAVIOTCWQDY-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CCN[C@H](CC[C@H](C)CC(C)C)c1ccccc1	305994033	UBMUCOHJBHRIHX-DOTOQJQBSA-N	247.426	4.800	0	10	BJAE	
CC(C)C[C@@H](C)/C=C(\CNC(C)(C)C)C(C)C	309993134	ZCYHKRTUJAAACJ-MFYHJKBNSA-N	239.447	4.639	0	10	BJAE	
CCC1(C[C@H](CCC2CCCC2)NC)CCC1	310273480	UDRWQUBFQIDCON-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)CCC(C)(C)C	310290271	IQVDQAFUNRNLCN-GFCCVEGCSA-N	237.362	4.761	0	10	BJAE	
CCC(CC)C[C@@]1(CNC(C)C)CCC[C@H]1C	318078567	PQEDFKYWCXRRGC-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](NC)c1ccc(C(C)C)cc1	318956502	YDSZGVSKGVVJHO-ZQIUZPCESA-N	247.426	4.753	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCCC23CCCC3)c1	328112147	OHFGQGRFQPBTHG-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCCC23CCCC3)c1	328143302	CIIWFTYSDKQFKI-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCC1=CCCCC1	379581935	MNJYFOXIJLHVDS-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(NC[C@H](C)C(C)C)cc1	381810066	HGULXOOBXLEFTC-ZDUSSCGKSA-N	219.372	4.514	0	10	BJAE	
CC(C)CCCCCC1(C(=O)O)CCCCC1	383114320	AQVHZHIALPRGGA-UHFFFAOYSA-N	240.387	4.628	0	10	BJAE	
CC(C)CCCCCNc1cccc(F)c1F	383328935	ZANYZJATLORISA-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC1CCC(C)CC1	383526686	PRZSDLBBESKPHY-QDIHITRGSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C(CC)CC	385835856	VADOXICZIDCMKS-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CSc1ccc(C(F)F)c2c(F)csc12	396248245	PYJMECQPGIKGEV-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC(C)CC1([C@@H](O)CCC2CCC2)CCCC1	398599295	SXEJHZORVZUBFH-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H](CCC2CCC2)c2ccccc2N1	398626389	IAMOQNNHMNJAKI-TZMCWYRMSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1/C=C(/C)CNC(C)(C)C	401759086	RFSDOAHKQNUBHM-MKQVVRHOSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@@H]2CC=CCC2)CCCC1	402335356	IOSVUWSKMLRVJD-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CCC[C@H]1CC=CCC1)C(C)(C)C	402345319	RXOQHOBWQMWMMB-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1coc2ccccc12	404639372	KVCOJYLZFCUOSJ-MLGOLLRUSA-N	246.350	4.683	0	10	BJAE	
CCNCC1(C[C@H](C)C2CCCCC2)CC=CC1	690501679	PETLZQYEDHGQJJ-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1ccc2sccc2c1	691863596	APYRNWPKWTZWSN-ABAIWWIYSA-N	247.407	4.727	0	10	BJAE	
FC1(F)CCCC[C@@H]1CCC1CC=CC1	692165538	ZRQAMNRBDUDNQB-GFCCVEGCSA-N	214.299	4.558	0	10	BJAE	
C[C@@H](C(=O)c1ccc(C(C)(C)C)cc1)C1CCC1	692694935	QLGBXAQYYHJPQF-GFCCVEGCSA-N	244.378	4.603	0	10	BJAE	
CCC(C)(C)CC[C@H](CNC1CC1)C(C)(C)C	696678268	MWEJSFMWXUQPEF-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@](C)(CC)CCC(C)(C)CC	696805646	KODLYJQIVUQPJY-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1(CC)CCCC1	697758265	HZBPAAFFKORVIE-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H]1[C@H]2CCCCCC[C@H]2C12CCCCC2	701849472	MGPLJJNVEGWMSH-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
C/C=C\[C@@H](NCCC)c1ccccc1C(C)(C)C	704640684	WDTQCIVHKNAPNT-CXSQMQJXSA-N	245.410	4.601	0	10	BJAE	
CCCCCc1ccc(NC[C@H]2CC23CC3)cc1	705224270	JSKLFEBKLMZLTG-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
C[C@H](CC(=O)C1(C)CCCCC1)CC(C)(C)C	709213700	RHSVUZUMUZVERQ-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H]1CC2CCC1CC2	709481724	FVMDZTGYBOVDSO-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1csc(C)c1	710757512	GNNLLRYATQGBBL-GXTWGEPZSA-N	237.412	4.827	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)C[C@@H](C)C(C)(C)C)CC1	710769540	IGZNUOGMLPANLI-KBUPBQIOSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C[C@@H](N)CCCC(C)C)C(C)(C)C	711102054	DQRBLVYDYVFYTP-KGLIPLIRSA-N	227.436	4.602	0	10	BJAE	
CCCNCC1(C[C@@H](C)C(C)(C)C)CCCC1	711155952	FWNMGRDRNNMXNA-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CC1CC1)C[C@H](CC)C(C)(C)C	711183738	GSGOCCYZVNFBEH-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@H](C)C(C)(C)C	711185725	XEYSOSIPLQQCHO-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H]3CCCC[C@@H]32)c(Cl)c1	712503624	PTKVOZSXZZBKRZ-HUBLWGQQSA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)C1CCCCCC1	713044608	RAMSHOZPOGCXCF-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H](C)CCC	718604942	WSRAQOVUGQCQBZ-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)c1cc(C)c(C)cc1C	721663506	JSDXLOLBHTZLOL-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CCC(C)(CC)[C@H](CCC(C)(C)C1CC1)NC	721709407	FSPVKRPOZMQBNK-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(O)CCCC2(CC2)C1	723553403	ICLJGJNYVHHBFU-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CCCC2(CC2)C1	723568128	VXOMKKKKXVJNJA-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(NC(CC(C)C)CC(C)C)cnc1C	1560985931	QJWHOQOTMKCXAS-UHFFFAOYSA-N	248.414	4.571	0	10	BJAE	
CCC(CC)CCOc1cc(F)ccc1Cl	1900690440	GTWAMFKQKBPQOH-UHFFFAOYSA-N	244.737	4.684	0	10	BJAE	
CCC(CC)CC[C@](N)(CC)C[C@@H](C)CC	1900709311	JDHNGDMWUOYHQE-DZGCQCFKSA-N	227.436	4.747	0	10	BJAE	
CCCC(=O)CCC[C@H]1CCC(C)=C(C)C1	1902841828	VXGWJANSAQXMHL-AWEZNQCLSA-N	222.372	4.662	0	10	BJAE	
CCC[C@@H](CC)C[C@@](O)(CC)C1CCCC1	1905367858	BSECURZTFYZEOP-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCCC[C@H]1CC	1905388430	JWEUQVXAQAQHPR-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CCCCC1CC(N)(C[C@H](CC)CCC)C1	1905435188	PKJSZYKLNDOMHN-WLYUNCDWSA-N	225.420	4.501	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C1CC2(CCCC2)C1	1912631219	UEEWDRJWWRRXJL-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](C)(O)C1=CCCCCCC1	1919969130	HBKWJHKZAVZKCP-INIZCTEOSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC[C@](O)(CC[C@H]2CC2(C)C)CC1	1921535644	DESLQNQWVJYJDU-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)[C@@H](C)C1CCCC1	1924138165	HERQHGSLMYZNJT-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CC(CC)CC	1926160457	YRHKXRNASFYTAB-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](N)CC[C@@H](CC)CCCC	1933335684	IVQPIWZOBXLGRA-KBPBESRZSA-N	213.409	4.501	0	10	BJAE	
CCC[C@@H](CNC(C)C)CC1(C)CCCCC1	1940404862	CJQWYCJRTYLPAO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC1([C@H](O)CCC[C@H]2CC2(C)C)CCC1	1940876018	KTRYINDZVJAMGY-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)C1(C)CC(C)(C)C1	1941986931	FXWILTJAVYJWBU-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(NC[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)cs1	1942045984	KIXJZAJYPMNOTH-OBJOEFQTSA-N	249.423	4.541	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1(C)C(C)(C)C1(C)C	1942655062	GAXACNVTVMMAKX-LBPRGKRZSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@](N)(C1CCCC1)[C@@H](C)CCC(C)C	1942657761	OOBZPMFWPTXSCX-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C)C=CC(C)(C)C1CCCCC1	1946182938	ZYHDPQNUYBFOKR-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC1CC1)NC1CCCCCCCCC1	1947881575	QDPRLPIMXDFFQP-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@@H](C)CC(C)C)C1CCCC1	1948325378	BWQNITMGCVRUAS-DZKIICNBSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)C[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	1948584114	CIIPVONONKCPHK-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@H]([C@H](N)CCCCCC2CC2)C1	1949077088	WSLLCVACLTWQHY-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@@H]1CCC(C)(C)C1	1949403389	PRPRZPBNOXWWSX-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CC1(C)CC[C@H](n2ccc3cc(F)ccc32)C1	1949493442	NBFIMXUXXGONCH-ZDUSSCGKSA-N	231.314	4.532	0	10	BJAE	
CC(C)(CCCC(=O)CC1CCCC1)C1CC1	1949856687	DSMLEDAKMOWPGJ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@H](C)NC[C@H]1CC12CCCCC2	1950624810	QMQBJOSJHPYOFV-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H]([C@H]1CCCC(C)(C)CC1)C(C)(C)C	1950914127	NGYZCFBNCLWXOU-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)[C@@H]1CCCC(C)(C)CC1	1950920515	WFRZZZSKVGGMQZ-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CC=C[C@@H](C)Cc1cc2c(cc1Cl)CCCC2	1951305621	RUNKQEJLSMKDEE-GFCCVEGCSA-N	248.797	4.974	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1cc(Cl)cs1	1958191667	UQESZWBQHLYAOS-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CC(C)=CCC(=O)c1ccc(Cl)cc1Cl	1961401847	OHLCENLFPSRIHD-UHFFFAOYSA-N	243.133	4.532	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1cccc(C2(C)CC2)c1	1967833151	YODWCHBTUISKIK-ZDUSSCGKSA-N	243.394	4.729	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC1CCCCC1	1968507982	CEQMEXMRSWVQIC-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
Cc1c(F)cccc1NCC[C@@H]1CCC[C@H](C)C1	1968648702	QAXYUWVPDVGPSV-JSGCOSHPSA-N	249.373	4.762	0	10	BJAE	
CC[C@@H](N[C@@H]1CC[C@H](C)C[C@H]1C)c1ccccc1	1969296515	KYKCOLWWHLYKFR-XOSAIJSUSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H](NC1CCC(C)(C)CC1)c1occc1C	1969738074	HWZFYKUKPHGXGZ-CQSZACIVSA-N	249.398	4.598	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NC1CC(C)(C)C(C)(C)C1	1969919985	ZJBQITZYNNCRPD-CHWSQXEVSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](CCC(C)C)C1CC1	1970829441	PRMLWSMBMADEBT-HZPDHXFCSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(CC)[C@](N)(CC)C1CCCCC1	1975987515	BUBDRTVFMAKNGU-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC1(C[C@@](C)(O)CCC(C)C)CCC1	1988464195	MEXHWNKMULGUHM-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@](C)(N)CC1(CCC)CC1	1990640360	MQBYTUIXYSZVBY-CQSZACIVSA-N	225.420	4.645	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@@H](C)CCC	1990813980	MMBHTNPSDARLQI-LSDHHAIUSA-N	227.436	4.713	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(F)c(Cl)c1F	1993150193	SEQXBCNFXZFRSZ-MRVPVSSYSA-N	247.716	4.609	0	10	BJAE	
C[C@H]1CCC[C@@H](CNCCCC(C)(C)C)CC1	1997214382	JSQGVCXKNUSECH-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC[C@@](O)(CC1CC(C(C)(C)C)C1)C(C)(C)C	1998256189	RYIQRXNPGSDHDH-SEEARECTSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@@H]1CCCC(C)(C)C1	2000052449	VTZBXKFFONEDJV-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC)[C@H]1CCCCC12CCCCC2	2001579122	SQQIGGGTQNKOMT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1[C@H]2CCCCC[C@H]21	2002211424	XDWTVDPXEBUPDZ-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@H](N)[C@H]1CCCC(C)(C)C1)C(C)(C)C	2003024659	PHXSZUDFLZAUMT-IHRRRGAJSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCC(=O)[C@H]1CCCCC(F)(F)C1	2003176617	RPZWTXHSZROTCB-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H]3CC[C@H]32)c(Cl)c1	2004797579	PGMZTCNOSAOTEN-YRGRVCCFSA-N	249.785	4.639	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)C1(C)CCCCCCC1	2004921362	VBYHSFCWMXGYOK-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCCC)C1CC=CC1	2005752195	DXQCLKXYCHNLOI-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC1CCC(C)([C@H](O)C2CCCCCC2)CC1	2007696766	NAHGRARUPYSOMJ-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
CCC1CC(COc2ccc(C(C)C)cc2)C1	2007766172	SJVSVZYCLIGEEE-UHFFFAOYSA-N	232.367	4.625	0	10	BJAE	
CCC[C@@]1(CC(C)(C)C2CCCC2)CCCN1	2009067073	LHQZBBRXIMSDBU-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@]12CC[C@H](Nc3ccc(Cl)cc3)[C@H]1C2	2009130404	JTZKDBFRSPHKIX-QLFBSQMISA-N	249.785	4.577	0	10	BJAE	
CCC1(CC)CC(O)(CCC(C)(C)C2CC2)C1	2009305266	CFTGSRXCOKPIFN-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCCCC1CC(O)([C@@H]2CCC[C@@H](C)C2)C1	2009715572	GWNUSQYSCTXSQY-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H]1N[C@@H](C)C[C@@H]1C1(CCC)CCC1	2009771473	RLHYETRCCMYBBL-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCCC1CC(N)(CCC[C@H]2CC2(C)C)C1	2009790418	WHAHKYTZMBXEGP-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2012002086	JRSQOXTXSCWDNV-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C1CC(C(C)(C)C)C1	2013266549	HWVMZJPDWOBTQY-ZBCRRDGASA-N	240.431	4.636	0	10	BJAE	
CCCCC(C)(C)N[C@H](C)[C@@]12CCCC[C@H]1C2	2013529341	WECGRLZQQOHPME-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)[C@H](C)CC(C)C	2015290538	KZTLXWUYJIAZEZ-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CCCCN(CCC(C(C)C)C(C)C)C1CC1	2015393510	DQEBIGRLGMPOEZ-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCCC1(C[C@H](NC)C2(CC)CCC2)CCC1	2015641207	AZBRBPIEQXORHB-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@]2(CN)CCCC[C@@H]2C)CCC1	2015643961	IFMCMZPCGMUUTJ-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CCC[C@](C)(CNCC)CC1(C(C)C)CCC1	2017143897	AFQINGUXKBCIGY-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CNCCC)CC(C)=C(C)C	2017462323	YGVOODUITIWCMK-MRXNPFEDSA-N	239.447	4.929	0	10	BJAE	
CC[C@](O)(C(C)=C(C)C)C1CCC(C)(C)CC1	2017483780	DIXDNLLWZMELFW-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCCC1CCC(CNCC(C)=C(C)C)CC1	2017660067	ZOBPASVFWGCAGT-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](N)(CC)CC1CCC(CC)CC1	2017728191	IRFZKAVEWKKURR-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CC2CCCC2)CC1	2017775116	XOGRCRYOUQKLRC-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CCCC1(CC[C@@H](O)CC2CCCCC2)CC1	2018967282	JZJLOOAJUBHSDV-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@H](C)CC(C)C	2018999600	LCFWAVMDZBDYNV-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](O)CC1CCCCCC1	2022451047	KZVQBYUYCGAOJU-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C(=O)C[C@H]1C[C@H]1C1CCCCC1	2022556576	HJKWOLAFOOZVRR-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C1=CC[C@@H](C)CC1	2026167114	PAJFSXJFSNPVNE-SQWLQELKSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1C[C@H]2CCC[C@@H]21	2027320666	WVWNPNHTSHRNKQ-DVOMOZLQSA-N	243.394	4.585	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@@H](C)C1CCC1	2027517198	DUGVGVMBXYAZGD-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CCCc1ccccc1[C@H](CCC=C(C)C)NC	2027902531	ZTOFZKHDZOQVNO-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2CCC=CCC2)C1	2028872392	FIGKICQMDCLCLS-ZBFHGGJFSA-N	248.410	4.908	0	10	BJAE	
CC1(CCC(=O)C[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)CC1	2029173836	JIFQSIXUVHCJDA-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C(C)(C)C2CCCC2)c1	2032300151	HSILRNPVFXZMRN-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC1[C@@H]2CCCC[C@@H]12	2032774568	CTHHKUVTXBAAQZ-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc([C@@H]3CCCC[C@@H]3C)[nH]c21	2038010172	QGIVPUGPMIQPEY-WUHRBBMRSA-N	246.398	4.704	0	10	BJAE	
CCCN[C@H](CCCC=C(C)C)c1ccccc1	2038133113	XHUGSQUELPBDBM-QGZVFWFLSA-N	245.410	4.864	0	10	BJAE	
O=C(CC[C@@H]1C[C@H]2CC[C@H]1C2)CC1CCCCC1	2038164754	DBUZBSVTJFOQLY-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC1CC2(CC2)C1)CC1CCCCC1	2038165978	NXTFLQLUAPDKAG-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
c1ccc2cc(N[C@H]3CCC4(CC4)C3)ccc2c1	2038589380	FSLKRSQZUGBWRE-INIZCTEOSA-N	237.346	4.584	0	10	BJAE	
CCCCC1(CNC2CC2)CC2(CC(C)(C)C2)C1	2039423830	HBIRMEGUJCEIJF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C[C@H]1CC=CCC1	2042739827	DLRPPFGHYSGTKT-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C(=O)C2CC(C(C)(C)C)C2)c1C	2043001272	QVDIWPUAUJVNDT-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
CCc1cc(N[C@@H](C)C2CC(C)(C)C2)ccc1F	2043552608	GGKRHBUEFWYNLD-NSHDSACASA-N	249.373	4.625	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@@H]1CCC=CCCC1	2045318028	RDIORGACTJUKDR-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCCC1(NC[C@H]2CCC=CCCC2)CCCC1	2045333049	VUTMWZAFNQCJSD-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CCCC[C@H]2C2CC2)C1	2045400676	YFXMRVAMCQFYOV-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]([C@H]1C=CCCC1)[C@@H]1CCCC(C)(C)C1	2045515945	GPYAJSCMZKMDJD-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@]1(CCCC2CC2)CCC12CCC2	2047956060	KJFCFCBNWLWJKB-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048447393	VKSNPRSFRBEEBJ-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2[C@@H]3CCCCC[C@@H]23)CC1	2048447401	VMGXGSCDHXDJMJ-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2[C@@H]3CCCC[C@@H]23)C1	2049514438	INBMBBURLWDTGS-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@@H]1CCC2(CC2)C1	2049855981	PTTBOKNQFBJKEV-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@]1(C)C=CCCC1	2049995796	BREWAAPBEWHOQX-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@@]1(C)C=CCCC1	2049996132	DWEMFYCLNOUNRW-SJORKVTESA-N	247.426	4.623	0	10	BJAE	
O=C(CCCC1CCCCC1)c1ccccc1F	2050495183	QMKHVWUNAUQXJQ-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1ccc(C)cc1C	2051404624	CRYPQEIYBVSFST-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H]1CCCCC12CC2	2053330760	DYUHTXTXTIJLHG-INIZCTEOSA-N	241.378	4.699	0	10	BJAE	
CCN[C@H](CCC1CC1)[C@H]1CCCCC12CCC2	2053421458	UWHBUKHDSDLENF-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@@](O)(C[C@H]2CC23CCCCC3)CCC1	2055610687	IPABWMUVRFOKSZ-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CC1CC(C)(C)C1	2056873726	QFGBIBBTMSTRIB-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NC)C(C1CCC1)C1CCC1	2059225472	NPNSAIQPSSQETL-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CCCC12CCC2	2059225784	RADPCYHBVQCZOO-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(C(F)F)c(Cl)cc1SC	2060056060	KROFZBSLLCQGEC-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CCc1cc(C(F)F)c(C)c(C(F)(F)F)c1	2060347762	MNEGPMKNAASBJN-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2061092355	PMHSUQOEBWYMLI-SYAUCNOPSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC=C([C@H](N)[C@H]2CCCC(C)(C)C2)CC1	2061096180	SDLFVWDWSCDBBR-GJZGRUSLSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@](C)(N)C2(C)CCCCC2)CC1	2061117621	ACMDWYWXURBNBE-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CC=C(C[C@@H](CC2CCCC2)NC)CC1	2061142318	BTOVJOZTGRWCOO-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@@H]1CCCCC[C@@H]1CNC(C)(C)C	2061562545	FNQMIKDLTUNOQH-HZPDHXFCSA-N	249.442	4.692	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC2CC(=C3CCC3)C2)C1	2061681574	AMFYDXFJHASQAB-SUMWQHHRSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)(CNC(C)C)CC1CC(=C2CC2)C1	2061739396	MZFJFJQTIYIKJJ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063486249	HYCPUUULZQCMLT-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)CC12CCC(CC1)C2	2065327381	LICRDOZUKDXIAI-PREGVCBESA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC(C(N)(C2CCCC2)C2CCCC2)C1	2065935473	GQEVFMQUONRUID-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1CN[C@H](CC)CCC(C)C	2065990849	RPPNRZUZGXQEAR-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
CC(C)(C)C1(NC[C@H]2CCCC3(CC3)C2)CCC1	2071890037	KQBULRUURCOLQG-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC1(C(C)C)CCC1	2071918386	CNXIJQXVVAYFHK-GOEBONIOSA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2CC[C@H]3C[C@@H]3C2)CCC1	2071923699	HPROFZUUZQWERJ-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1([C@H](N)CC2CC3(CCC3)C2)CCC1	2071935257	YPPGVLZZMGVIKZ-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@]2(N)CC[C@@H]3CCCC[C@H]32)CCC1	2071939915	FOSNIIPCCIMJJE-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)c1ccccc1C1CC1	2072425749	YHVXKGBAPMVTMB-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
C[C@H]1CC[C@H](CCC[C@H](O)c2ccccc2)CC1	2072784249	XBERUEXULDMNCU-ZOBUZTSGSA-N	246.394	4.717	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@]12CCCC[C@H]1C2	2074032452	FOZSXSHWGURIOJ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CN[C@H]1[C@H](C2=CCC(C)(C)CC2)CCCC1(C)C	2076396725	WUSRSKDTVVOWEH-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H]1CC[C@H]1Nc1ccccc1C1CC1	2077264739	ZEMXRLWRINPQLD-GDBMZVCRSA-N	243.394	4.801	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2C[C@H]2C2CCC2)CC1	2079318685	CSPDTGXKZOWTAJ-FPCDFSMTSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H]2C[C@H]2C2CC2)CC1	2079331147	BZCRECIKEVVKOE-GDVJOBBMSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)C1CC2(CCCC2)C1	2079842339	NRADKGWEQYIPOV-TZMCWYRMSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@@]1(CC=C2CCC2)CCC[C@H](CC)C1	2081684957	ZEDVSXAKVBJTBC-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](C)CCC1CC2(C1)CC1(CCC1)C2	2083615398	LECIIULIZAZCMC-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@H](C)CC2=CCCCC2)C1	2085246007	ZWCJSDDRYVLUTR-PVAVHDDUSA-N	249.442	4.680	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCCCC1CC1	2214550803	BPPWPHNOXLOLJW-OAHLLOKOSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCCCC1CC1)NC	2214585147	TZTWEPADEPRJQS-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@@H]1CC)CC(CC)CC	2215244427	GXIUVMPVKOSOJP-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](CC[C@H]1C[C@@H]1CC)NCC	2215250834	KVLFJCQTKZQHQR-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H]1CCC1(N)CCCCCCCCC1	2215251563	OMNSVIZGZDTXKE-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC[C@@H]1C[C@H]1C)NC	2215267299	WNMUCOZDXGREBI-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCN(C)CC(CC)(CC)CC	2215369169	NAALQBXQMULWNR-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CC[C@H](NC[C@@H]1CC=C(C)CC1)c1cccs1	2215837614	YDQRGDCNFIEEPP-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216255899	FLKPCGNXHSVCHW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H](C)CC)CCCC[C@@H]1C	2217125895	BKZXRNIYFNJZFI-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CCC(C)(C)CC)CNC1CCC1	2217126288	AIPCXXISOBPNMV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC[C@]1(CN[C@@H](C)CC)CCCCC1(C)C	2217140973	KYZOSOXIFLICDX-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC(C)(C)CC)C1CC1	2217146020	VLVXBZBFMFGIQC-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CC1(CN[C@@H](C)CC)CC(C)C1	2217154212	RRXXOLCDXODAFN-CIDNJEQPSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)C[C@H]1CC12CC2	2218723622	GYPWGLMBEDYBMD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1CC[C@H]2C[C@@H]2C1	2218733198	WGXUQSJCAZCLNG-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CN(CCCCCCC1CC1)C1CC2(CCC2)C1	2218735222	MOZBZXIUCIBMNC-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C/C=C/c1ccccc1	2219062156	JSPNVQZWVBVTOB-ISBHARSQSA-N	246.394	4.667	0	10	BJAE	
N[C@H](CC[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2220287972	CJYYZGLQFJSOKK-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(Cn2ccc3cccc(F)c32)CC1	2220310639	JEMVPGMTESTFBS-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2C[C@@H](C)CN[C@@H]2C)CC1	2220374083	CHXZZALLABCTGT-KLHDSHLOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CC)[C@H]1CC=CCC1	2220873291	ACTFXPNALMFOOJ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)C2CC(C(C)(C)C)C2)CC1	2221627475	UUXPEHMIMLMXDO-UMPYDWHISA-N	249.442	4.523	0	10	BJAE	
CNC[C@@]1(CC2(C)CCCCC2)CC=C(C)CC1	2221669449	XKNPOTVBYGFZQN-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
Cc1cc(C)c([C@](C)(O)[C@H](C)CC(C)C)c(C)c1	2221991823	BDDIMGMHRAHJGH-NVXWUHKLSA-N	248.410	4.502	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CC2=CCCCC2)c(C)c1	2222006877	OFIXONHFXKEEIA-INIZCTEOSA-N	243.394	4.502	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1ccc2occc2c1	2224177106	SFKUVBJYWKHQRG-LRDDRELGSA-N	245.366	4.649	0	10	BJAE	
CCN[C@@H](c1cccc2ccoc12)C(CC)CC	2224183161	ZUVXRKUHTLOCFL-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H](CC)CCC	2244782444	MRWRYJKJMHFCTF-KKUMJFAQSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)c1cscc1C	2244784393	UKSVUBKQQIHILL-JSGCOSHPSA-N	239.428	4.533	0	10	BJAE	
Cc1scc(C(=O)C2(C)CC3(CCC3)C2)c1C	2246415187	BUBDVOLJNRXTJU-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCC[C@H](CCC[C@H]1CCC[C@@H](C)C1)NC	2246667231	PCVABJYHFJCBKD-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)CCC(C)(C)C)C1	2246727326	MSMKNCWOPUNIOE-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@H](O)C[C@H]1CCC1(C)C)CC(C)(C)C	2247305747	DDDXYNGNPNHMJQ-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)CN(C)C[C@@H]1CCC1(C)C	2247334782	YGROUCWWYZZSDP-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CC1CCC(N)(CCCCC[C@H]2C[C@H]2C)CC1	2248805997	JFEMWYGLGCMNCP-FYRZTWFESA-N	237.431	4.501	0	10	BJAE	
CC1CCC(O)(CCCCC[C@H]2C[C@@H]2C)CC1	2248874982	YMLFGHUHAVXPDY-PYBGIAKNSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@@]12CC[C@H]1C2	2250518043	RAZCNMFZXHBKON-OFQRWUPVSA-N	236.399	4.598	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CN[C@@H]2CCCC[C@@H]2C1	2253819166	SOXFRFORJOSJJW-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2CC3(CCCC3)C2)C1	2254114129	LNGQCMRZDJVOPQ-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCNC[C@]1(CC2=CCCCC2)CC[C@@H](CC)C1	2255104463	XEBSHQAZESSDMB-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H]1C[C@H](CC2=CCCCC2)CCC1(C)C	2255135292	ADMJZSHHYNVAQK-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](CC2=CCCCC2)NC)CC1	2255140291	IADZBEKNUJFJJG-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C1(CCC)CC1	2255141256	NHXCBMJPKIBIRX-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCN1C2CCCC1CCC2	2257292008	MTTQRNDTPMGRLG-JUVOFCAFSA-N	249.442	4.610	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCC12CC(N)C2	2259613616	KFJKBOZUUHWAFN-ODIFPOPNSA-N	249.442	4.667	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@]12CCCC[C@@H]1CC2	2260523397	CVYAAQONELCVEO-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
O=C(CC[C@]12CCC[C@@H]1CC2)CC1CCCCC1	2260574577	NPXWZHSIFQGAFZ-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)C[C@]12CCC[C@@H]1CC2	2260589189	WTULVXFKFMSPCZ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(C[C@]23CCCC[C@@H]2CC3)CCC=CCCC1	2260645217	HCLZAOXXBQGPTP-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3C[C@@H]32)cc(C2CCCC2)c1	2260736077	SAEOAPZPOGGTMZ-BHYGNILZSA-N	241.378	4.555	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCC[C@@H]1C[C@H]1C	2297867445	HTQRFRLDSALKKS-RBSFLKMASA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1C)C(C)(CC)CC	2298128088	SOTOOZPNQWYIHS-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@H](C)CC1CCC1	2298871743	UMVXFNUUCWHUKY-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1CCCC(C)(C)C1	2300679752	WXUSVBFWMDSOML-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(=CC[C@@H]1CC[C@H](C)[C@H]1N)CCCC(C)C	2300904176	MDTJRMRPANAMBE-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
CCCC(C)(C)[C@H](N)CCCC1=CCCCC1	2302326839	TXPSPXDTQNWXLZ-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
CCc1cscc1N[C@@H](C)c1ccccc1C	2302885561	BJVIDOXUGIMOSN-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@@H]3C[C@@H]32)cc1Cl	2302908949	ZFOIWOABWURYCJ-OSAQELSMSA-N	249.785	4.639	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1C(=O)CCCCC1CC1	2303443005	QJMMIXKWPWCIIP-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1ccc(C2CCC2)s1	2303560595	WDOVTISXCXBVMW-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)CCCC(C)C)CC1	2303603814	WWUCIMSEYNOIFP-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)CCCC2(C)C)C1	2304406264	BBMXLTJIRBVNDK-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(NCCC(C)(C)C)c1F	2307556107	FSOKEKAMOBNIEJ-UHFFFAOYSA-N	237.362	4.797	0	10	BJAE	
CC1(C)C[C@@H]1Oc1ccc2ccccc2c1Cl	2307638371	JFRDGTMOZJPRNH-ZDUSSCGKSA-N	246.737	4.671	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CC[C@@H](C)[C@@H]1C(C)C	2307835024	NCPIYRFKIHYNMV-FXUDXRNXSA-N	240.431	4.636	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H]1CCC[C@@H]2C[C@@H]21	2310191547	GVALMKBJFWVQPH-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2310890081	YCDRMZRILLJWSD-HNLJFRNMSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@H]1C)C[C@H]1CCC=CCCC1	2310971380	DIWGJGKRRHZNMZ-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCCCCCC1CC1)[C@@]12CC[C@@H]1C2	2312595268	BDKWDFMORYYPNJ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@@]12CCC[C@@H]1CC2	2313330473	KTRGZCQVYCXYGL-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)c1ccc(C)c(CC)c1	2314698052	VMTYMMNSQVAWSC-IRXDYDNUSA-N	247.426	4.630	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)[C@H]1CCC2(CC2)C1	2316884808	JXMIIROTCRQXCW-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316885146	PLHACPUJZXGSLO-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCCCC1)c1cccc(F)c1	2317019882	BCLITQBOZNJLMD-MRXNPFEDSA-N	249.373	4.576	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317210557	CRLGQGKBPLSIOQ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)[C@@H](C)C(C)C)cc1C	2317664646	MVKXLZQDXWBODJ-XHSDSOJGSA-N	247.426	4.635	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@H](C)[C@H](C)C(C)C	2317828004	OZVPBKNEIYLAJG-CPUCHLNUSA-N	247.426	4.738	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H]1Nc2ccccc2C[C@@H]1C	2317950417	JCZOUPPVQOJPKD-WSMBLCCSSA-N	245.410	4.588	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1NCCCC1=CCCCC1	2318529463	QKVPKJVYEIPPKB-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(OCCCC2=CCCCC2)c(C)c1	2318587558	UOPMPUJASXVEJO-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@H]1C=CCCC1	2318596842	DRCODQGMKUNODK-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCCc1cccc(C(=O)CCC[C@H]2C[C@@H]2C)c1	2318930592	ARPWRMOODMPHGG-ZFWWWQNUSA-N	244.378	4.648	0	10	BJAE	
CN[C@H](CCC[C@H]1C[C@H]1C)C1=CCCCCCC1	2318935751	JECKNJDPFSBRHI-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)[C@@H]2CC23CCCCC3)C1	2319121055	JMJYDVSGUQOJQX-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC[C@H]1CC[C@H]1C1CC1)CC1CCCC1	2319747365	FARYVXCSKYENIQ-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC[C@H]1CC[C@@H]1C1CC1	2319750562	SIYCBPQZJVIWDB-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CNCC2(C)CCCCC2)CC1	2320232223	RCXNOHWAQVIZBY-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC1=C(C)C[C@@](N)(C[C@H](C)C2CCCCC2)CC1	2320263159	KALUACGJGFVPPQ-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@]23CCC[C@@H]2CC3)CC1	2320425454	XAIILVIGGPLTBR-INMHGKMJSA-N	246.394	4.662	0	10	BJAE	
O=C(CC1CCCCC1)C[C@H](CC1CC1)C1CC1	2320819559	QGLMTVNMLJMURR-INIZCTEOSA-N	248.410	4.742	0	10	BJAE	
Clc1ccc(Cl)c2c1oc1ccccc12	5935056	VHQCMZLPHWGUDB-UHFFFAOYSA-N	237.085	4.893	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1ccc(Cl)cc1	20482218	NFKKGAUYCWQJPJ-RISCZKNCSA-N	239.790	4.556	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)CCC(C)C)c(C)c1	20548040	NHKGVHKAZJQSSG-HZPDHXFCSA-N	247.426	4.779	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H](C)CCC(C)C	20567373	ATWHPICUFCVZNU-GFCCVEGCSA-N	239.790	4.885	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)CC2CCCC2)cc1	21797155	OPXZXIXBICAVPA-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Nc1cccc(F)c1	36664863	OQBJGNAPDLRLHC-UHOFOFEASA-N	249.373	4.698	0	10	BJAE	
CC(C)(C)C(=O)c1ccc(C2CCCCC2)cc1	37116920	MJSVDDNBPOKXKF-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2ccc(C)cc2Cl)C1	70760418	CZPQTCNSVVFDSN-NEPJUHHUSA-N	237.774	4.639	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC(C)(C)CC(C)(C)C	70978224	VAUHNBPVKJVIDM-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)c1ccsc1	71085209	QWOAKRSYKRALHR-OCCSQVGLSA-N	239.428	4.615	0	10	BJAE	
CCC[C@@H](CC)NC(CC(C)C)CC(C)C	71106180	ISXJBDGAPIVEID-CQSZACIVSA-N	227.436	4.616	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC)CNCCC	71127243	QIINCULHCFCLJI-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@@H](C)CC	71127811	JMKYIKLCVOWCSJ-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCC(C)(C)C)CC1	83520408	JKBIYEXWYJIQQV-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CCC[C@H](C)[C@H]1C	85086730	HANRKHDVUFQBLQ-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1csc2ccccc12	87179393	OGXNELXJLRCHPK-BXUZGUMPSA-N	248.391	4.761	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](NC)c1ccccc1	103944106	IIQZYBRFZVDXFI-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](CC)C1CCCCC1	103985620	VYQSVIQDYAWTIR-HOCLYGCPSA-N	239.447	4.904	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC)C[C@@H]1C[C@@H](C)CC	109663164	VWXKABNQUKDKAF-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2CCC[C@H](C)C2)n1	132279133	RVSQSVQEXUXKDL-SRVKXCTJSA-N	237.412	4.950	0	10	BJAE	
Cc1cc(N[C@H]2CCC(C)(C)C[C@@H]2C)ccc1F	155945519	YZFVATSHGQVNEQ-WFASDCNBSA-N	249.373	4.761	0	10	BJAE	
CCCc1cccc([C@@H](O)CCC2CCCC2)c1	159832653	QGHGPKIIACDMFR-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
FC(F)c1cccc2c(C(F)F)cccc12	167174249	CEKYBCFNHDCFKH-UHFFFAOYSA-N	228.188	4.715	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)CC1CCCCC1	168803895	NJSWYXBUPAWGOX-IAGOWNOFSA-N	246.394	4.512	0	10	BJAE	
CC/C=C\Cc1cocc1CCCCC	210472057	CCGSGODQRSQMKM-ALCCZGGFSA-N	206.329	4.521	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC[C@@H](C)C[C@@H]1C	221729251	PIVNBDSAWUCLMF-UGUYLWEFSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](c1cccc(CC)c1)[C@@H](C)CCC	228859690	LUTANWUYYLAKHJ-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CCCCCC[C@H](NC)C1C[C@H](C)C[C@@H](C)C1	229394364	SRUSDQYILQLDOY-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1cccc2c1CCCC2	229668339	JPLOMFOSFZTIOS-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
Clc1ccccc1N[C@@H]1CCC12CCCCC2	230161703	KCCMKKNMPKSDGE-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](O)(CCC(C)(C)C)C1	230785603	JZSWYZVARAGPEN-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(C(=O)[C@H](C)c2ccccc2)CC1	232914796	PGHUMEXVYNFGIL-VQCLRJIVSA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1sccc1Cl	300965597	ZBATZDZNPPATHF-JTQLQIEISA-N	246.803	4.651	0	10	BJAE	
CC(C)C[C@@H](C)Cc1ccc2c(c1)CC[C@H](C)N2	302374943	OYXOUWNBGIYMOZ-KGLIPLIRSA-N	245.410	4.658	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H](C)CC(C)C)CC1	304362552	DVRNAMLWZUPNHY-NFOMZHRRSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C(C(C)C)C(C)C)C1	304402829	OKYVGSIWHPQCIJ-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
C/C(=C/CCNCC(C)C)CCC1CCCC1	305968314	PLHQYJMGGQIWPX-CHHVJCJISA-N	237.431	4.539	0	10	BJAE	
CCOc1c(Cl)cc2sccc2c1Cl	306533047	CEMPBLDFJBGEQO-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCc1cccc2c(Cl)c(Cl)sc12	307111440	OPQFGIBGMACIRU-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1ccc(Cl)s1	308006350	DERMZYYKLGISPW-SKDRFNHKSA-N	246.803	4.507	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CC1CCC1)NCC	308046472	HOHPHGKLSIZCRX-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@](O)(C[C@@H]2CCC[C@@H](C)C2)CC1	310135884	LXZZZTXLTYTUGL-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@@H](C)CC(C)C	310195797	ZPZQTBCNOPRVBV-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCN[C@@H]1CCCCC12CCCC2	310289618	RHMNMNSSKZOVHE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCc1cccc(C)c1NC[C@H](C)C(C)(C)C	310296870	MGJYLHCUDVSNDM-ZDUSSCGKSA-N	233.399	4.652	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)C[C@@H](C)C1CCCCC1	310561497	JXQSPZLTNDEFQS-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
c1ccc(-c2ccc(N[C@@H]3CC[C@@H]4C[C@H]43)cc2)cc1	311757792	ZZXCAUJTKLDUHK-KBAYOESNSA-N	249.357	4.564	0	10	BJAE	
CCCNC[C@]1([C@H](C)CCC)CC[C@@H](CC)C1	318154679	CSLQIWLFDLXNAP-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@H](C)[C@H](C)CC	319547786	NIBJEVAXINFPKI-QXSJWSMHSA-N	241.463	4.863	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)c1ccccc1)C1CCC1	322271565	KQDGSDGEZDIQFX-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
CC(C)C(=O)CCC[C@H](C)C1CCCCC1	379939829	XACZSCOLPNKDLP-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC2CCC(C)CC2)C1	380023231	DUONTFISFAJFDO-GYTBAZASSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](CC)(CNC)CC1(C)CCCC1	380168955	MMVQYBOGTFYZAN-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCC(CCC)[C@H](O)CC1(C)CCCC1	380686903	HTWXYWHNDNHFNU-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCCCC[C@@H](C)CNC(C)C	383185951	NVASPXNNENVVDJ-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCC1(C(=O)C[C@@H]2CCC[C@@H](C)C2)CCCC1	383760505	DRGDVPGPMLJDOW-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC([C@H](N)[C@H](C)CC(C)C)CC1	383927520	SAUOKXQTZRALHP-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CCC[C@@H](C)c1ccccc1)C(C)(C)C	384738995	KZUJEKZVVAHTRY-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CCC2=CCCCC2)C1	384854153	MJGJDXCCQXLRAR-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H](C)[C@@H](CCC1=CCCCC1)NCC	385632004	BJNXXWGMSARKBJ-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CCC1(C[C@H](NC)c2ccc(C)c(C)c2)CCC1	386592443	JOXWTEHGYPPFKH-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC[C@H](Nc1ccsc1Cl)c1ccco1	387220117	LHZQBDJJCRXSBD-QMMMGPOBSA-N	241.743	4.558	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](CC)C1CCCC1	387543997	PWQJUMMCCXISKI-ZBFHGGJFSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H]1C[C@H]1CN[C@@H](C)c1ccc(C(C)C)cc1	387767917	BMKHXAQKKKNQOY-VBQJREDUSA-N	245.410	4.507	0	10	BJAE	
CCC(CC)(CC)[C@H]1CCN[C@H]1c1ccccc1	395171683	DDJXHFYFNXJKAQ-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1Nc1ccsc1Cl	395636783	HYWPNHQQGGVRPJ-SCZZXKLOSA-N	243.803	4.638	0	10	BJAE	
CCc1c(C(F)F)ccc2sc(S)cc12	396241066	LPUUMSICKYKEIQ-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCCCCC(C)(C)CNC[C@H](C)C1CCC1	398761399	ISXCVTYAVLDDOB-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(NC[C@@H]2CCCC[C@H]2CC)cc1	401572999	GJEXYQAXWCOTBO-CVEARBPZSA-N	245.410	4.877	0	10	BJAE	
CCCN[C@H](C)/C(C)=C/[C@@H]1CCCC[C@H]1CC	401635604	BTCWVLYPSUBQQE-GWDBDOKYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC(CC)CC)CC(C)(C)C1CC1	405730797	LVLUYWKAFOYVEV-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H](CC)CC(F)F	688833865	NRYMHFJYKDUYGH-NEPJUHHUSA-N	248.357	4.843	0	10	BJAE	
CCCC1CCC([C@@H](CC2CC=CC2)NC)CC1	692060884	QOIGZHPIJHICDS-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1ccc(Cl)cc1CC1CC1	694973639	LNNKNXVZLXGCDX-UHFFFAOYSA-N	222.759	4.590	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)c1ccc(C)cc1C	695098037	JXJQUVUKTFLUOD-LSDHHAIUSA-N	247.426	4.779	0	10	BJAE	
CCC(C)(C)CCC(=O)C(C)(C)C1CCC1	696592775	ICPWKHUZWNIFBT-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1cccc(Cl)c1	696652847	SAVOJSLCKCIDLL-CYBMUJFWSA-N	239.790	4.556	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H]3CCC[C@H]32)c1Cl	707858150	JXYHUUGXRHECAJ-JHJVBQTASA-N	249.785	4.639	0	10	BJAE	
C[C@](O)(C1=CCCCCCC1)[C@]12CCCC[C@H]1C2	709257416	WXKAMDZWGRIVCW-ULQDDVLXSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(CCC1CCCCC1)[C@]12CCCC[C@@H]1C2	709271327	DAYBQAPOXSSQFR-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)c1cscc1Cl	710451488	IOOIIZSYQYNCLG-KWQFWETISA-N	246.803	4.507	0	10	BJAE	
CCc1ccc([C@](C)(O)C[C@@H](C)C(C)(C)C)cc1	710805479	SHVRISMSRRRUDC-CXAGYDPISA-N	248.410	4.529	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CCC(C)(C)CC	711293270	JVPDBZCJTFANSB-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C[C@H]3CCCC[C@@H]32)c1	712449544	FYEWDRKFFAHVEU-HYVNUMGLSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H]1CCC[C@@H]1C	713221911	NDUVWZVZVAKKDD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CC[C@@](O)(CC)CC1CCCCC1	713672590	IIUYELGZOYQYPR-JFDDCEBESA-N	236.399	4.620	0	10	BJAE	
C=C/C=C/CCC(=O)c1cc2cscc2s1	713703066	UWHUQRLLUANIIS-ONEGZZNKSA-N	248.372	4.668	0	10	BJAE	
C=C/C=C\CCC(=O)c1cccc2ccccc12	713739887	RIALKDVZHGZVHN-ARJAWSKDSA-N	236.314	4.545	0	10	BJAE	
CC[C@@H](NCCCCC1CC1)c1ccc(C)cc1	716396689	CUIPYSVVUREICO-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CC(C)=C(C)CCSc1ccc([C@H](C)N)cc1	718527576	NAGIZBQHLMZTRI-ZDUSSCGKSA-N	249.423	4.545	0	10	BJAE	
CCC[C@@H](CC)Nc1nc2cccc(C)c2s1	1559089179	CRSCYNAKPNHJRV-LLVKDONJSA-N	248.395	4.595	0	10	BJAE	
Cc1ccc(N(C)C[C@H](C)C2CCCCC2)cc1	1652417496	ZUPGFHFIMMIGIA-HNNXBMFYSA-N	245.410	4.648	0	10	BJAE	
CCC(CC)SC[C@@H]1CCCC[C@H]1C	1652640495	DGSJYVPZPRZGBG-NEPJUHHUSA-N	214.418	4.735	0	10	BJAE	
CCc1cscc1N[C@H](CC)[C@H]1CC1(C)C	1902380561	DGYSHWUTPAFJCN-VXGBXAGGSA-N	237.412	4.547	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1CCC(C)(C)C1	1902388913	BUCGTBFTWJLAON-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@@H](C)CCC1=O	1905346546	MWYMOJPKXDNUJE-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CC(C)NCC(=CC1CCCCCC1)C(C)C	1905427830	WPVUKLXATXHRIV-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@](O)(CC)CC[C@@]12CCC[C@@H]1C2	1909757180	AWPCBGRISVPNMO-BZUAXINKSA-N	238.415	4.678	0	10	BJAE	
Cc1cscc1N[C@@H]1CCC2(CCCCC2)C1	1915913237	FHUSVLWBUJOSHX-CYBMUJFWSA-N	249.423	4.971	0	10	BJAE	
CCCCCC[C@@](C)(O)C1CCC(C)CC1	1919958450	IDRGYQDIVSNTKL-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
C1CCC(CCNC2C[C@H]3CCC[C@H](C2)C3)CC1	1923480797	QLLHAJBBVRAGRR-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H](C)C1CCCC1	1924128071	YHYUUNVTMWUICC-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@H]2C=CCCCC2)C1	1925762681	FOJUKIZWYVJOPK-ARFHVFGLSA-N	248.410	4.764	0	10	BJAE	
CC(C)Oc1ccc(C[C@H]2C=CCCCC2)cc1	1925844369	UFNPDDRZUSCVGT-HNNXBMFYSA-N	244.378	4.763	0	10	BJAE	
Cc1cc(N[C@H](C)[C@H](C)CC(C)C)cs1	1933232815	GZBZLUJFDXHPKK-ZYHUDNBSSA-N	225.401	4.539	0	10	BJAE	
CCCCC[C@]1(CN)CCCC(C)(C)CC1	1939900100	NXNANKXOLBOLIK-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)C[C@H](C)C1CCCCC1	1941268620	HWMQDZXKQMGHSH-NUEKZKHPSA-N	239.447	4.602	0	10	BJAE	
CCCCCC(=O)c1cccc(C2(C)CC2)c1	1941536364	RVUZBSMDFRBURW-UHFFFAOYSA-N	230.351	4.501	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2C[C@@H]3CCC[C@H]32)n1	1941714105	WZZHJOPGGZBLOC-QJPTWQEYSA-N	249.423	4.734	0	10	BJAE	
CCC[C@](O)([C@H](C)CCC(C)C)[C@@H]1CC1(C)C	1942655121	GLRURQNVRNPZKE-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@@H]2CCCCC(=O)C2)C1	1944197493	BGDNCZWLBRGTRX-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@@]12CCCC[C@H]1CCC2	1944223072	CHPAMLFZFDVTCF-RZLSGREXSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)C(CC)CC	1944820716	NAKKPZJTUMIKGG-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@H]1CCC(C)(C)C1	1945584844	SSHAFNXWMLHBML-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)[C@H]1CCC1(C)C	1945753252	WSIVFDWBSPFMGC-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
c1cc(N[C@@H]2C[C@@H]3CC[C@@H]3C2)c2sccc2c1	1946666578	ONELTAFRDCNUBT-ITGUQSILSA-N	243.375	4.502	0	10	BJAE	
CC(C)CC(C)(C)NCC1(C)CCCCCC1	1946976509	FGRAGRFWUCSENF-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC[C@H]1CCC	1947469678	RKBRICHTIWBDKQ-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
CCC1(C)CC(N[C@H]2CCCC(C)(C)CC2)C1	1948392093	KRIDJEZKSDTRGR-HLIUYOAVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CCCC[C@H]1CC1(C)C)NCC	1948428962	JDNGCDHLAXHNCJ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@]1(O)C[C@@H]2CCCC[C@@]2(C)C1	1948596984	UYINASQFBQYVMP-JYJNAYRXSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1cc(C)cc(C)c1	1948944942	AQBIEBLSAHBLEU-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)C[C@H](C)CCC1=C(C)C	1948964880	SFODBMARCRAMIK-LZWOXQAQSA-N	237.431	4.667	0	10	BJAE	
C=CC=CCC[C@]1(N)CCC[C@H](CCC)CC1	1949010022	GRKOICQGVRJFDO-HOTGVXAUSA-N	235.415	4.587	0	10	BJAE	
CC(C)CC[C@@](C)(N)[C@@H]1CCC2(CCCC2)C1	1949402809	MROHWWBOGREBKR-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@H]1C(C)=CCC[C@@H]1C	1950968572	LRWCGGLYBMYEGY-ZNMIVQPWSA-N	237.431	4.523	0	10	BJAE	
FC1(F)CC[C@H](C[C@H]2C=CCCCC2)C1	1959891380	VADQUWPTKZAUBZ-NWDGAFQWSA-N	214.299	4.558	0	10	BJAE	
CC[C@H](Nc1ccc(C)c(F)c1)C1CCCCC1	1968318633	LNEYYEIKPCPOOT-INIZCTEOSA-N	249.373	4.905	0	10	BJAE	
C[C@H]1CC[C@@H](COc2ccccc2C(C)(C)C)C1	1968366976	QCUQPZQIZNQQBV-UONOGXRCSA-N	246.394	4.799	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC2(CCC2)C1)C1CCCCC1	1969166362	DFMVLXCTSARGJE-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@H]2CCC[C@H]2C1	1970662764	DSISMTKZQKVXPC-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(NC[C@@H]2CCC(C)(C)C2)ccc1F	1971992722	TWCBCTAIUPVQFV-GFCCVEGCSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CCCC[C@@H]1CN[C@@H]1CCCCC12CC2	1972744668	OBMLVKUMCVLIGM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@]1(C)C[C@@H]1N[C@H]1CCCC2(CCCCC2)C1	1973342033	MTYSKPBPXWOKRJ-HRCADAONSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](NC[C@H]1CCCCC12CCC2)C1(C)CCC1	1973672983	OCPGRKFSFMEIMG-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc(C)c(Cl)c1	1976008792	QMBDCBZDVTWMID-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CC=CC[C@@](CC)(CCCC)CNCCC	1978637262	KRKXESKLEXWCBB-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
C/C=C/CCCC(=O)C[C@H](CC)C(C)(C)C	1984593104	LEYLSFSFRCMKNJ-CFNZNRNTSA-N	224.388	4.764	0	10	BJAE	
CCCC[C@@](C)(N)CC1(C(C)(C)C)CCC1	1989466011	XAIRXJSTWDCXPX-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC(C)Cc1csc([C@H]2CCC[C@@H](C)C2)n1	1995444115	HMNDFQKQVSSINO-NEPJUHHUSA-N	237.412	4.635	0	10	BJAE	
C[C@@H](CN(C)[C@@H]1CCCC(C)(C)C1)C(C)(C)C	1995835669	OCCASUUFUWTQJP-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@H]1CC[C@@H](C)C1	1996251004	VMUUSFRIQZHAKK-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@H]1CC[C@H](C)C1	1996272617	VXSDQPJCAVNWIH-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CC1CC(C)(C)C1)C1CCCCC1	1996589234	MNEAMTYBLFUSRQ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CN[C@]2(C)CCCC2(C)C)CCC1	1997342001	QTCMUPQYSYJOMK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](NCC)C1CC(C(C)(C)C)C1	1998240566	OCBLVGARTFBDQN-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@H]1CCC[C@@H]1C)NC	2000336711	UTBRCBKXQVGFMK-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CCCC1CC1)CNC1CC1	2000513430	JDCVRKQEONOXQF-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCC1(CO)CCCCCC1	2000656211	HOKSILCDBGFNHI-UHFFFAOYSA-N	240.431	4.926	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2000833931	MTRAHUAHZRPNSL-XUWVNRHRSA-N	237.431	4.514	0	10	BJAE	
CCC1(C[C@](C)(N)[C@@H]2CCC[C@H](C)C2)CCC1	2003017390	RVNFOFGXYWHVDI-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC1CCC2(CC1)CC2	2003216712	FEJINDRIOXBSFM-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC1CCC(C)(CC)CC1	2004340781	DIGPVGRGPRDHHO-CIDNJEQPSA-N	237.431	4.514	0	10	BJAE	
CCC1(C)CCC(N)(CC(C)(C)C(C)C)CC1	2004340861	FBWKUCKOYFIGEM-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)[C@H](C)CC(C)C	2004705648	IZSPTUMEANVHKS-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC=CCCCc1ccc(C(F)(F)F)cc1C	2009591268	VRTGRKXQKVSXHD-UHFFFAOYSA-N	242.284	4.913	0	10	BJAE	
CC=CCCCC1(O)CC2(CCCCCC2)C1	2009593246	MWWGUQKHIANFKQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H](CC)CC(C)C	2009628566	NSMBTMPMIVKDST-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CCCCCC12CC2	2011275223	QJAMLIVLCKAAHZ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)CNC1CCC(C(C)(C)C)CC1	2013475378	PIRFHQBMJAEBCG-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C[C@H](N)[C@H](C)CC(C)(C)C)C(C)C	2015280316	DXXFVMYDMZBSNR-HIFRSBDPSA-N	241.463	4.704	0	10	BJAE	
CC(C)C(C[C@](C)(O)C1(C)CCCC1)C(C)C	2015291347	RIYBJIQGXRTFPS-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CCC1)C1CCC1	2015641508	GCHFXDSBFCPRAB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@H]2CC(C)C)CCC1	2015642360	PQHAECDLGPYSMN-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
c1cc2cc(N[C@H]3CCC4CC3C4)ccc2s1	2015648870	UVFRJSASNCMUEE-OVGLSYRBSA-N	243.375	4.502	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)C1(CC(C)C)CC1	2015750574	VGUNJWDPSCGMJH-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1(CC(C)C)CC1	2015753873	XOGPECPOYFCPME-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1(CC(C)C)CC1	2015753875	XOGPECPOYFCPME-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(CC)C(=O)CC1(C(C)(C)C)CCC1	2017124429	UBLWZQJIYWMEIO-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@](CC)(CN)CC1(C(C)C)CCC1	2017146288	RBXJRJHMQCJGIQ-HNNXBMFYSA-N	239.447	4.748	0	10	BJAE	
CCC1CCC(C[C@@H](N)CC(CC)CC)CC1	2017722617	HCSKEOVIBFRLFK-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCCC[C@H]2N)CC1	2017729196	UFVNITQLMFHLLA-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H](CC)CC(F)F	2018082656	XWQVVIRKTWOZQR-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC[C@@H](C)CC1	2018139263	PRKVDCZDFNPKTE-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
CCCC(CCC)C(=O)C[C@]12CCCC[C@@H]1C2	2018618651	GVYGPNHVTQOIQS-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@@H](O)C2(C)CCCCCC2)CC1	2018965503	RIHDKGSUWUNRHM-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@H](C[C@@H](C)C(C)(C)C)NC)CC1	2019006009	LJTXOBONSXFPFS-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CN(C1CCCCCCC1)[C@@H]1C=CCCCC1	2019540172	BXWMUSZISIDCPA-MRXNPFEDSA-N	235.415	4.530	0	10	BJAE	
CCC(CC)(CC)C(=O)CCC[C@H]1CC1(F)F	2019592529	XMZDVUZXHUBSQS-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC(C)C(C[C@@H]1CCCC(C)(C)C1=O)C(C)C	2020394405	YECWKMQBJZFBEF-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
CCC[C@](C)(N)CC1CC(C)(C)CC(C)(C)C1	2024101271	JKDSIGACKBMGNE-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCCC(=O)[C@H]1CC1(C(C)(C)C)CCC1	2024613198	MKIAIMRRBTVZBI-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCCC1(C)CC1	2026170773	SGOADNRBKHZZFZ-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CC[C@@](O)(CCCC1(C)CC1)c1cccc(C)c1	2027830565	CUGNXFNICGKNTR-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
N[C@]1(CCCC2CCC2)CC[C@@H]2CCCC[C@@H]2C1	2028487263	SYTKBCMQURKTMB-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cccc(C2(C)CC2)c1	2028556867	IDYUXBOJKIPTAS-XJKSGUPXSA-N	245.410	4.564	0	10	BJAE	
N[C@H](CCC1CCCC1)c1ccc(C2CC2)cc1	2028607912	HKXUZOIJXWTBQV-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)[C@H]1CC[C@H](C)C1	2028896951	HZASKOQPRSHALT-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccccc1CC(C)C	2028930668	OGGMHZPAXWVYMA-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC2(C3CCCCC3)CC2)C1	2029739350	AABYSPOIFBSWGU-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C[C@@]2(N)CCCC23CCC3)C[C@H](C)C1	2031816129	DNSNKGJUYMAUDX-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)[C@H]1CCCC[C@@H]1C3	2034150178	VFNWSNOARZVUGB-OLZOCXBDSA-N	239.362	4.615	0	10	BJAE	
CCC1CCC(C2(N)C[C@H]3CCCC[C@@H]3C2)CC1	2034161730	RBSNWDYNDJAUEL-LVDPKSTMSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCCC2)CCC[C@H](C)C1	2035597133	BILXKOHTPODAHZ-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@H]1CC12CCCC2	2036093030	FTCUVGNLAIGZQR-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1(CC2(C)CCCC2)CC12CCCC2	2036107906	RWJVMMGRYMWZMT-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@H](Nc1ccc(F)cc1)C2	2036668529	VIEVKPMVUVRYGJ-DAXOMENPSA-N	247.357	4.597	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)C[C@@H](C)CCC1=C(C)C	2037172576	WGYFPVMQLLCADM-WMLDXEAASA-N	249.442	4.977	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H](C1CCCCC1)C1CC1	2038358212	RVEKZJXOMNZBLP-IRXDYDNUSA-N	249.442	4.514	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@@H]1CCC[C@@H](C)C1)C2	2038935048	XMWSASAKLQLMPL-FVROTGDOSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@@H](N[C@@H]2CCC3(CCCCC3)C2)CCCC1	2039039173	OZZMBIHJXWARHE-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1CC[C@H]2C[C@H]21	2040234863	FSPMKJZOJFQXFX-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
N[C@@]1(CC2=CCCC2)CCCC2(CCCCC2)C1	2040765134	MKHLRWUTOZQYBW-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC(C)(C)C1CC([C@H](N)C[C@@H]2C=CCCCC2)C1	2042998516	RAABDSVWRRLBDG-PRLABOORSA-N	249.442	4.523	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)C[C@@H]1CCC=CCCC1	2045318054	RGDHSVANMRPGSS-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@H]1C(C)=CCC[C@H]1C	2045750869	YLCCWZAUMLOSNR-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H]1CCCC[C@H]1CC	2045807657	VDHZMQQUMGOMKI-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)C[C@H]1CC12CCCC2	2047010793	VEZFEMXHBAOCCU-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(NC2[C@@H]3CCCCC[C@@H]23)CC1	2051595683	YBXOWZTWROKZDD-GYMHETDLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C[C@H]2CCC=CCCC2)C1	2055114536	PWTKPDIQFXYGJS-HRCADAONSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCCCC[C@@H]1Nc1ccc(CF)cc1	2055670899	BPBFJQRHPFDGIE-HNNXBMFYSA-N	249.373	4.927	0	10	BJAE	
CC1(C)CCC(C)(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1	2056537160	UXCLNFUWHMJYMB-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CC1([C@H](N)C2CC(C3CCC3)C2)CCCCCC1	2057498767	VMRLQFDWTLAIBJ-UYSNPLJNSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@H]1C[C@@H]1C=CCCC1	2059000607	SRJAISBSSRMEOJ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC=CCCC2)CC1	2059002416	DZBBCPPBIQOGAU-XHSDSOJGSA-N	248.410	4.908	0	10	BJAE	
CC=CCCC[C@H](NC)c1ccccc1C1CC1	2059260144	VYNPEBLLSDYECS-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1(C2CCC2)CC1	2059261241	COCTYEBIBSXAMZ-WMHVBEDNSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1CCC([C@@H](N)C2=CC[C@H](C)CC2)CC1	2060914711	USHHHJIRYNEHBC-DXCHVLGVSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC=C([C@@H](NC)C2CCC(C)CC2)CC1	2061098828	LFUDRGOUKPEPLP-INTUILBWSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(N)[C@@H]2CCC[C@H](C)C2)CC1	2061117485	ZFGOHFXTHRXIOP-ABFRBSLYSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCN[C@@H]1CCCCC12CCCC2	2062603943	SRJDUPMXRKZCJB-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063490041	HYCPUUULZQCMLT-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC=C[C@](O)(C[C@@H]2CCC=CCCC2)C1	2063678711	TUMROGUCERBIPK-WBVHZDCISA-N	248.410	4.620	0	10	BJAE	
C[C@H](CC1CCCC1)NCC12CCCC1CCC2	2063901228	XIVDALCLLYMWJR-ODIFPOPNSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](N)CC12CCC(CC1)CC2	2065304687	CKTIZSHKFPZXJU-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068772719	IZMSCDVMLHZKCY-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C[C@@H]2CC23CCC3)C1	2069175501	BQHXLMKCZQTNSR-LZWOXQAQSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@]2(C)CC=CCC2)CCC1	2069335646	QQECQJSLIFHSNE-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H](C(=O)C2(CC3CC3)CCC2)CC[C@H]1C	2069503174	GQIQWGBHNMBAOO-VNHYZAJKSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2072428812	JIVVTCFPPKEEEB-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)C=CC[C@@H](C)C2)CC1	2072876258	YFUXJULHSGPMMA-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
N[C@H](CC[C@]12CCCC[C@@H]1C2)CC1CCCCC1	2074027411	AOPWURKUQOBPBO-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)C[C@@H](C)c1ccccc1	2075144223	QCGVUPFBAUTONC-HUUCEWRRSA-N	247.426	4.547	0	10	BJAE	
C=C=CCC[C@@]1(N)CCCC[C@@H]1C1CCCCC1	2075828621	FBPKPFIKPUUFSV-IAGOWNOFSA-N	247.426	4.576	0	10	BJAE	
CCN[C@@H]1[C@H](C[C@H]2CC=CCC2)CCCC1(C)C	2076401188	JVXUIZGTBYCXSP-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1[C@H](C2=CC[C@@H](C)CC2)CCCC1(C)C	2076401360	KMBDHVXOSBEFJI-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccccc2C2CC2)CC1	2077262344	RQJSYTBTWTUDGJ-HIFRSBDPSA-N	243.394	4.945	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@H]1C[C@H]1C1CCCCCC1	2079426357	ALEACHQSXAAHTB-HPFYIGJRSA-N	249.442	4.667	0	10	BJAE	
N[C@H](C1CCCCC1)[C@@H]1C[C@@H]1C1CCCCCC1	2079427404	ILCHHNBOBRXIBN-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@H]2C[C@@H]2C(C)C)cc1	2079490298	AUMVUHQFILLTAY-MAZHCROVSA-N	244.378	4.675	0	10	BJAE	
Fc1ccc(N[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1	2081140938	MZYVKGSGWZRICO-DAXOMENPSA-N	247.357	4.597	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)CC2(C)CCCC2)c1	2082941107	CEGYIIOGPFAWJX-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H]2CCCC[C@@H]2C)c1	2082950951	PPZFAAWERAYSIN-WFASDCNBSA-N	244.378	4.621	0	10	BJAE	
CN[C@H](CC[C@H]1CCCC(C)(C)C1)c1ccco1	2082981562	DYYIBFKMZRGJMZ-ZIAGYGMSSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCC=C[C@@H]2N)CC(C)(C)C1	2082986681	NHUDNHVHMYIYMP-GJZGRUSLSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1CC1CC2(C1)CC(C)(C)C2	2083794145	AODVWMVDBPXBRE-OCCSQVGLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCCC1=C1CCCNC12CCCCC2	2083813185	YPADCKWUSFVNJT-CQSZACIVSA-N	247.426	4.579	0	10	BJAE	
CC1(C)C[C@@H](Nc2ccccc2C2CC2)C1(C)C	2084335480	KVKRQECMXLIKAQ-OAHLLOKOSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C[C@H]2CC23CC3)cc1	2086418723	PKJKKOFDNPPBKD-DOMZBBRYSA-N	242.362	4.573	0	10	BJAE	
NCC[C@@H]1CC[C@H](CCCCCCC2CC2)C1	2213574007	NQXRPQPTLPNJGJ-HOTGVXAUSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)CCCCCCC1CC1	2213578787	PXNGVJBBXZDJIF-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
Cc1cccc(CCC=Cc2ccccc2)c1	2213824963	NBBWUMGHDVNLCO-UHFFFAOYSA-N	222.331	4.641	0	10	BJAE	
CCC[C@]1(CCCCC2CC2)CCCCCN1	2214586856	XQFUVAMUTKDWBM-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](N)C1CCCCC1	2214779685	YUQBWNZSUBPVBA-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
C=CC=CCCn1c(C)cc2cc(Cl)ccc21	2214989933	CAJDRCOVLCUOHM-UHFFFAOYSA-N	245.753	4.735	0	10	BJAE	
CCCC[C@H](C)[C@H](CC[C@H]1C[C@H]1CC)NCC	2215250829	KVLFJCQTKZQHQR-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2(C)CC(C)(C)C2)CC1	2215389783	XEBDPZXHZVUGSQ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)CC1(C)CC(C)(C)C1	2215396679	VSWTVGILAHXYES-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H]([C@@H]1CCC1(C)C)C(C)(C)CCC	2216283650	UQUQBXHSNTYLMZ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCCCN)CCCCCCCC1CC1	2216893455	LLMUIHPVIGPHCE-OAHLLOKOSA-N	239.447	4.892	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)CC1(C)CCCC1	2217149850	KRXUQIJNWYEQHV-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC=CCCC[C@@H](NC)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218348900	DCLIHYGXTMFJJA-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc(NC2CCC(C3CC3)CC2)c1	2218893861	GTIZOSARNWZAMC-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CC1=CC[C@](C)(CN(C)[C@H]2CCC(C)(C)C2)CC1	2221602166	PIZNVSYQQKJZIJ-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@]1(C)CC=C(C)CC1	2221613959	SXEZTCDSRYOTHR-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@@]1(C)CC=C(C)CC1	2221617879	DGTGSXZYZBDVMN-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC2CC2)CC=C(C)CC1	2221654878	QCGFDRODKJIBEF-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](N[C@@H]1CCC[C@@H](C(C)(C)C)C1)c1ccco1	2222254939	DLPHPRXXZJQVLR-MGPQQGTHSA-N	249.398	4.535	0	10	BJAE	
CNCCCC(C)=C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222954078	HICXYSFAQIZAMQ-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
C[C@@](N)(C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCC1	2222983727	ZLWVMNSNXNIXLZ-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
C(CCCNC1(C2CC2)CCC1)CCCC1CC1	2223158201	JRJQFVKJXIJOOX-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CCCC2)CC12CCCC2	2223540990	DUQLBKIGQXPZNR-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC)CC[C@@H](C)CCCC(C)C	2244836788	LDLCZKCZDJIEGQ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@](C)(N)CC[C@@H](C)CCCC(C)C	2244870375	BIZSFVAQXQZKFD-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
Cc1cccc(-c2nc(C)c(C(C)C)s2)c1	2245944721	COEHZDYJTZNDPO-UHFFFAOYSA-N	231.364	4.550	0	10	BJAE	
Cc1ccc(NCc2cc(C)ccc2Cl)cc1	2248164667	XGNXJLNDGCOMAP-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CCC[C@]1(CCCCC[C@H]2C[C@H]2C)CCCN1	2248872721	SVRJRAICGBRHOL-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1(C)CC2(CCC2)C1	2250371260	KQUXOHWSDAESGX-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(CO)CC1(C)C	2250487426	AVGYCTIOFDYVNG-GOEBONIOSA-N	240.431	4.638	0	10	BJAE	
CC[C@@H]1CCCCN1CC[C@H]1CCCCC12CC2	2253853111	JVBZRJAMUHMLTI-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCCNCC1(CC[C@H]2CCCCC23CC3)CC1	2253859628	ATRLXCLQQPBQRM-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2(CNC3CC3)CCC2)C1	2253929827	KXMVFHXGUBCASJ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2ccn(CCCC[C@@H]3C[C@H]3C)c2c1	2254539814	QRFROLGURDCPPG-GDBMZVCRSA-N	241.378	4.776	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC1(C)C)[C@]1(C)CC=CCC1	2254849621	UUVCLJNLDBSTQH-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
c1ccc(C2CC2)c(NC[C@@H]2CCC23CCC3)c1	2254958763	IKBIBVKNVRICLF-AWEZNQCLSA-N	241.378	4.556	0	10	BJAE	
CC1(C)CCC(CN)(C[C@@H]2CCC23CCC3)CC1	2255025512	OIYNTNBHVYPBEJ-AWEZNQCLSA-N	249.442	4.502	0	10	BJAE	
CC1(c2cccc(NCC3=CCCCC3)c2)CC1	2255089362	NWPHMCFNGMKLDE-UHFFFAOYSA-N	241.378	4.650	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@H]1CC=CCC1	2255095055	QOHHHCKHBLKQDJ-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCCC12CC2)C1CCCC1	2255231691	CAKRDSLLGCBIIW-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)CC[C@H]2CCCC23CC3)C1	2255246319	OASNNIYMHMTSQX-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@@H]1CCCC12CC2	2255250704	YUZLCSVUGOVXAV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)CC[C@@H]1CCCC12CC2	2255254991	ZWNPYSGQHKOVQG-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC(=O)CC[C@@H]1CCCC12CC2)C1CC1	2255315841	RIHDKZJDGCRTLZ-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC[C@@H]2CCCC23CC3)C[C@H]1C	2255333605	WTPPNIRFAYRTID-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2CCCCC[C@@H]2C)cc(C)c1C	2258233755	RJNIYPJERIWVFW-YVEFUNNKSA-N	245.410	4.993	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]23CCCC[C@@H]2CC3)C1=O	2260563943	CIAUQLLAZYPNMO-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
CC1CCC(C(=O)C[C@]23CCCC[C@H]2CC3)CC1	2260564405	GCVCIPZOGHQMTG-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C[C@@]12CCC[C@@H]1C2	2297876425	NDLQKPAUZSZHEM-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@@H]1CC)C(C)(CC)CC	2298126156	OCJZCGQMGPPIBB-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)c1csc(C2CC2)c1	2298872292	YRFBRJBBWKJUCT-JTQLQIEISA-N	248.391	4.635	0	10	BJAE	
CCCNC[C@]1(CC=C(C)CC)CCC[C@@H]1C	2300860513	IEQHMWPVIWFHCY-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC(C)=CCN[C@@H](C)[C@H]1CCCC(C)(C)C1	2300862968	JNSMTKQFONKVEH-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC=CC[C@H](NCCC)C1(C)CCCCCC1	2300877942	WEFWMTUVCDSITB-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(O)[C@@H](C)C(C)C)CC1	2301919250	MUGIKRZAKHETBE-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](C)[C@H](CC)CCCC1=CCCCC1	2302325323	GMIWEFMKEWDWFT-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CC1(C)CCCCC1	2302611449	CXLAPYNTGZZRSL-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@@H]1CCC(C)(C)C1	2302671260	MNLXDZPWIRHPNA-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCC[C@@H]2C[C@@H]21	2302911232	TVQUBTZBFZQWKZ-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@@H]1CC[C@H]1C(C)(C)C	2303402635	UDTKRFPMAWKKCQ-KBUPBQIOSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)Nc1cc(F)cc(CC)c1	2304019515	YENYWIGPVCXXDG-AWEZNQCLSA-N	237.362	4.769	0	10	BJAE	
CCC[C@@H](C)CCNCC[C@@H]1CCC(C)(C)C1	2304369688	OANYRGNSUCAKBQ-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCCC(=O)C2)C1	2304426395	VEUOIUNOKHFVGD-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCCC[C@H]2O)C1	2304432091	RBAWOEUAJMWOQU-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CC[C@H]1CCC(C)(C)C1	2304433497	CGMVAXJPYVPMOL-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CC[C@@H](N)c1cccc(SC(C)C)c1	2307556322	HOTZYTAUKNHJPW-OAHLLOKOSA-N	249.423	4.543	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1c(C)cccc1C	2307877779	MNBZQOHIEDHFGE-CABCVRRESA-N	234.383	4.553	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](C)CC[C@H]1NCC	2307897320	ARSCBTFJRQJCFA-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)C1(CCC)CCC1	2307907438	LOZQVAGLYGSALW-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309180691	HZBQYDFVJPRMJH-LJISPDSOSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@@H]2CC[C@H]1C2)C1CCCCCCC1	2312886985	LLFPQGGXRLORPU-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)[C@H]1CC1(C)C	2315887508	NELBLEZDABAICM-UKRRQHHQSA-N	245.410	4.965	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316875710	XPARAFAXLWGLGW-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C[C@@H](C)[C@H](C)C(C)C)c1ccccc1C	2317830252	GDUQIYSKWSBKAL-BFYDXBDKSA-N	247.426	4.574	0	10	BJAE	
O=C(CCC1=CCCCC1)CC[C@]12CCC[C@H]1C2	2317936088	JSXQQLCONRFBKX-RDJZCZTQSA-N	246.394	4.807	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C[C@@H]1CCC2(CC2)C1	2317967824	AYWKVAULMTZTNB-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](NCC(C)(C)C2CCCC2)CC1	2320239055	ASSQROVDZMCLCY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@H](C)CC2CCC2)c1	2320525658	PRDPMCUUAFNPHB-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CCN[C@@H](C)c1ccc(C)c(C2CC(C)(C)C2)c1	2321015668	HMHFMHYGAMPAJQ-ZDUSSCGKSA-N	245.410	4.569	0	10	BJAE	
CCC[C@@H](CC)C[C@@H]1CCc2ccccc2C1=O	2328153824	GCBPFJTZTXHODG-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)c1ccc(CC)cc1	2328276443	WBMVWSOMWWWINB-DOTOQJQBSA-N	247.426	4.726	0	10	BJAE	
CC(C)CCC[C@H](C)NC1[C@@H](C)CCC[C@H]1C	19231956	FTTHFEJRJMZCLK-QGPPMGRFSA-N	239.447	4.616	0	10	BJAE	
Clc1ccc2ccc(-c3ccccc3)cc2n1	19721590	KWPNBWJTLWKUKP-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)c1ccccc1	19982607	FDVGVAXMVZHRNM-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
CCC(CC)Nc1ccc(Cl)c(Cl)c1	20557673	GKOMHAJVAVSGPZ-UHFFFAOYSA-N	232.154	4.594	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1)c1ccc(C)cc1	21509341	XWKBXUQDJHBNNY-QGZVFWFLSA-N	239.362	4.867	0	10	BJAE	
CCCCCC[C@@H](C)NCc1ccc(C)s1	34995382	ATCJHMGIKYNOKG-GFCCVEGCSA-N	239.428	4.505	0	10	BJAE	
CCCc1ccc(-c2ccc(C(C)=O)s2)cc1	36927399	KSQVTKINMMBIND-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
Cc1ccccc1[C@@H](C)NC(C)(C)CC(C)(C)C	37100803	OYOXHYKNICMFSK-CQSZACIVSA-N	247.426	4.860	0	10	BJAE	
CCC(CC)[C@@H](N[C@@H](C)C1CC1)c1ccccc1	37107799	GJWGEJRKAPZIQG-SUMWQHHRSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H](NCCC1CCC(C)CC1)c1ccco1	70538340	FWESVFPIILSVKI-YMAMQOFZSA-N	249.398	4.537	0	10	BJAE	
CCC1CCC(N[C@@H]2CCC[C@@H](CC)C2)CC1	83640273	CAHUPCHWEHBJSQ-GYTBAZASSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCC[C@H](C(C)C)CC1	86941386	NJSILZUVEANKCL-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)C1CCCCCCC1	87690239	OZLMAAYVPCQKJM-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC1CCC(C(=O)c2cccc(C)c2C)CC1	87934074	AHCSMZMOLMWUOH-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCCC[C@H](NCCC)C1CCC(C)(C)CC1	87943653	GTICKJKQIUVKQQ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCCCC(=O)c1ccc(OC(C)C)cc1	97467648	PDDPGTPEXCVVJB-UHFFFAOYSA-N	248.366	4.627	0	10	BJAE	
CCC(=O)[C@@H](c1cc(CC)ccc1CC)C(C)C	107473136	DZSGYBPUVCQNBD-QGZVFWFLSA-N	246.394	4.530	0	10	BJAE	
CCCc1cccc([C@H](N)C(CCC)CCC)c1	131652462	SZWZECJOTAPLDV-QGZVFWFLSA-N	247.426	4.855	0	10	BJAE	
CCc1coc2ccc(Cc3ccccc3)cc12	137952097	VRICDOLSMJCLTM-UHFFFAOYSA-N	236.314	4.586	0	10	BJAE	
CC[C@@H](C)c1ccccc1Oc1ccnc(F)c1	156306446	VEIAVBVWXDSWDT-LLVKDONJSA-N	245.297	4.527	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CNCC)C(C)(C)C	162297386	GASLEFSZBRGFMM-HUUCEWRRSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCC[C@]1(O)CCC[C@H](C(C)C)CC1	165634942	YQOPGKHGTKFPKA-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1ccccc1Cl	168887699	BUDXTLRTGILVSH-CQSZACIVSA-N	240.774	4.590	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)c1ccccc1	222124084	NXOFQWATIUDDJY-INIZCTEOSA-N	247.426	4.975	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](O)C2CCCCCCC2)C1	227041019	FAEGAZUDXIYZDN-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](c1cccc(CC)c1)[C@H](C)CCC	228859718	LUTANWUYYLAKHJ-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCC[C@@H](CC(C)C)C1	230771193	LYGPHDBIGAYVMO-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc2ccccc2c1C(=O)CC1CCC1	232155560	SLNCRTMMKPKAJC-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
Cc1cc(-c2cccc(N)c2C)c(C)cc1Cl	232217445	QWDIWKFTWNYMNR-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCCCC[C@@H](C)c1c[nH]c2c(OC)cccc12	232959271	JCGNHXOQJQBTOE-GFCCVEGCSA-N	245.366	4.860	0	10	BJAE	
CCC[C@@H]1C[C@H]1N[C@@H](CC(C)C)c1ccccc1	233309462	NBEQUUFTMROCCP-IXDOHACOSA-N	245.410	4.552	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H](C)c1ccccc1	233607274	XAWSZWOITQEBJF-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C2=CCCCCCC2)C1	233929463	FYPBFUCZYAZHTQ-ZBFHGGJFSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@]1(C)N=N[C@](C)(C(C)(C)C)S1	248205005	ZITVEDITYNAJFA-RYUDHWBXSA-N	228.405	4.710	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](CC)CC[C@H]1NCCC	250841360	XZDUFPQDYZOHSH-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCCC[C@H]1CN	251277474	DQEVDNSJSFEZGB-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
CNc1cccc(-c2ccc(CC(C)C)cc2)c1	259417143	XYZKXXWZKSORAI-UHFFFAOYSA-N	239.362	4.594	0	10	BJAE	
C[C@H](C[C@H](N)C1=CCCCCCC1)C(C)(C)C	300136607	KPBIMYGNKBDCNX-HIFRSBDPSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cccc(CC(C)C)c1	302437806	SZNLONMGQZSXRV-PBHICJAKSA-N	247.426	4.711	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CCC1CCCC1	305896613	LOKPJEDCIGERRI-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(C[C@@H](C)CC(C)C)C1	305902754	BPJBNBUTSJMWRG-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N)[C@@H](CCCC(C)(C)C)C1	305919118	LKGVOHIKORWRGM-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
Fc1sc2c(Cl)cccc2c1C(F)F	306648207	FUDVLBQYMQAOLF-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
Fc1ccc2cc(Cl)sc2c1C(F)F	307527217	KBIYEIQCCMRJLV-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(CNC3CC3)CCCC2)C1	311089135	HRDKEXBWRMLIOY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(O)CCCC[C@H]1C(C)(C)C	318749799	BRFWBJDJTTZVBE-YXWQFLTLSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1cc2ccccc2s1	318831077	ZRJQIEBXQILTLZ-ZIBATOQPSA-N	248.391	4.617	0	10	BJAE	
CC(C)CCCCCN[C@H](C(C)C)C1CCC1	324743048	OGRRIGZTSDSJMF-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C(C)C)C1CCC1	324880735	DLZIBLRSWURODA-GOEBONIOSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C1CCCCC1)C(C)C	380187609	ZENLAWZIBOJSCC-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCCC12CCCC2)C1CC1	380922108	DDRUEWZMKJKVCC-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CC[C@@H](N)[C@@H](CCCCCC(C)C)C1	383385481	NHFZSZLIMOLBFM-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)C(C)(C)C(C)(C)C	383879560	RHJNIHPGKTWNSC-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
C/C(=C\CCNCC(C)C)CCC1=CCCCC1	384980583	QTIQACQTOCSXKJ-LZYBPNLTSA-N	249.442	4.849	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1N[C@H](C)CCC(C)(C)C	386077206	BIHKOTQHZNCBGJ-LXTVHRRPSA-N	239.447	4.616	0	10	BJAE	
Cc1cccc(C)c1OC[C@H](C)C1CCCCC1	386563490	VYPACFHURPSWBB-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NCC1(C)CCCCCC1	394577883	AIPOJNXZEQYNRT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC1(CNc2ccc3[nH]ccc3c2)CCCCC1	394672306	TVHVVCSXVOFWKR-UHFFFAOYSA-N	242.366	4.550	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(C[C@@H](C)c2ccccc2)CC1	395234135	CZDUDDLAHJGLOF-INMHGKMJSA-N	246.394	4.512	0	10	BJAE	
COc1cc(C(F)F)c2sc(Cl)cc2c1	396285327	FDDYCUUDBUMNEC-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1cccc2sc(C(F)(F)F)c(F)c12	396303905	UREJHNRLKSRUFE-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC(C)[C@]1(C)C[C@H]1N[C@H]1CCCC12CCCCC2	397391553	QRGCPXPRLKFTPW-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@]1(CC2=CCCC2)CC[C@H](CC)C1	401045227	AQEIJKDOPYJGAI-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)C(CC)CC	402200430	DUNFVRYRIQPUCZ-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@H]2CC=CCC2)CCCC1	402335358	IOSVUWSKMLRVJD-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@H](C)C(C)(C)C	405733099	MNVAMNFBUDQJFN-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](O)(CCCC2CC2)C1	406030088	MFOJUSVZHJCESU-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)C(F)(F)CC	692363556	IXRAFNXAAFYJIE-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H](CCC)C(C)(C)C	695063265	TXXAHDGSWGZGCZ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)c1cccc(C)c1	696596719	ZGTFESFHCQQJEW-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCCCCCC(=O)c1cccc(C(F)F)c1	701228789	HMYRYQZQAKHZFY-UHFFFAOYSA-N	240.293	4.777	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C2CC(C)(C)C2)cc1	701501239	AVCVGJXSWQDPMC-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H](Nc1cccc(C(C)C)c1)C(F)(F)F	702901278	RIAHICHEHZVMFM-GFCCVEGCSA-N	245.288	4.563	0	10	BJAE	
CCC[C@@](N)(CC)c1ccc2ccccc2c1C	704875362	NDABYKYNKCYEBY-KRWDZBQOSA-N	241.378	4.512	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(N)CCC1CCCCC1	704932582	ATMFTSFEDKZKHC-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@]1(N)CCCCC[C@H]1CC	704953780	VYUHWXKYECQQDK-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CC(C)c1ccc(N[C@H](C(C)C)C2CC2)cc1	705335451	PNFSMNRUBIVQMI-MRXNPFEDSA-N	231.383	4.657	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@@H]2CCC[C@H]21	707841080	VLHNVOVEBZUPQD-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)c1ccc(C2CCC2)cc1	708265259	QEBPFKAQKOCNAZ-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
Cc1cccc(OC[C@H](C)CC(C)(C)C)c1C	709116430	WCLDGIWVNUPBPH-GFCCVEGCSA-N	234.383	4.755	0	10	BJAE	
C[C@@H](CC(=O)[C@H](C)c1ccccc1)CC(C)(C)C	709208227	ANVPPAKLBBYVGJ-UONOGXRCSA-N	246.394	4.822	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CCC1CCCC1	709238103	UFIAWFILKRWUSF-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H](C)CC(C)(C)C)c1	709278935	ZYCVSDIMQMGGKQ-ZDUSSCGKSA-N	246.394	4.894	0	10	BJAE	
CCc1cccc(CC)c1NC[C@@H](C)C(C)(C)C	710752191	IFDGPWBLQULYAY-CYBMUJFWSA-N	247.426	4.906	0	10	BJAE	
C[C@H](CC(=O)c1csc(Cl)c1)C(C)(C)C	711214091	AIHWLCHDJFNYFG-MRVPVSSYSA-N	244.787	4.657	0	10	BJAE	
CCCN[C@H](CCC[C@@H](C)C(C)(C)C)C(C)C	711225632	MLNZYIHZDPKWLQ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1cscc1Cl	711564916	CHLWJLMRXRXKHY-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CCCCC1CCC(CO)(CC(C)(C)C)CC1	713230290	SBHCZIIXGARNTH-UHFFFAOYSA-N	240.431	4.782	0	10	BJAE	
C=C/C=C/CC[C@]1(CNCCC)CC[C@@H](CC)C1	713715900	FITZUOURYDYFHX-PWHGLLLSSA-N	249.442	4.705	0	10	BJAE	
C/C=C/[C@@H](C)Cc1cccc(Cl)c1Cl	714552618	ZAHGBFKSCHFRRQ-HYYFJVDXSA-N	229.150	4.748	0	10	BJAE	
C/C=C/C[C@H](C)c1cc(Cl)ccc1OCC	714567521	ASNMLDRTBAJRAJ-MALLOTDXSA-N	238.758	4.808	0	10	BJAE	
CCN[C@@H](CCCCC(C)=C(C)C)C(C)(C)C	718641972	AMXCILPIPJVGKP-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CCC(C)(C)C[C@H]1C	718688619	FHTDFTBHISTMAY-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCCCc1ccc(NCC2CC(C)(C)C2)cc1	723534266	FOAZWTIYLKLZSU-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CCCN[C@@H](CC1CC(C)(C)C1)C[C@@H](C)CC	723562890	MUPBNOINHKMLNB-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1SC[C@@H]1CCC[C@@H](C)C1	1656234217	FCBICIXOJVOBAQ-TZMCWYRMSA-N	234.408	4.913	0	10	BJAE	
CCCNCCC=C(C)[C@H]1CCCC[C@@H]1CC	1880414583	ODALLTKJLNHZTQ-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)c1ccc(Br)c(C)c1	1889494119	QLXPFRVOHQQMQE-UHFFFAOYSA-N	241.172	4.661	0	10	BJAE	
CC(C)[C@@H](C)C(=O)CCCC1=CCCCC1	1901961983	HSBVOJKOHJBYTF-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)c1cscc1C	1905448974	ZMAKOCOHDWGIFN-TZMCWYRMSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1(CCC)CCC1	1905452269	BYFCZWZJGLFMMW-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCC=CC[C@@H](CC)c1ccc(O)c(C)c1	1912046847	RPFDWTZQHMKWKI-CYBMUJFWSA-N	218.340	4.551	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](C)C[C@H]1NC	1916044912	QTNQDVCFAVXXHP-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@@H]1CCC2(CCCC2)C1	1916442064	JBLKYKLMYNZENY-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)[C@](N)(c1ccccc1)C(C)C	1920496931	OFYDASHOFZBURV-WBVHZDCISA-N	247.426	4.569	0	10	BJAE	
CCC1CC([C@@H](CCCCCC(C)C)NC)C1	1921299417	XUMGJJYAACUZJR-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NC1C[C@H]2CCC[C@H](C1)C2)C1CCC1	1923483176	CZJDXOLOVMGEFU-ZQIUZPCESA-N	249.442	4.514	0	10	BJAE	
Clc1ccc(CC[C@@H]2C=CCC2)cc1Cl	1932592962	NWAGEHIXACFLIP-SNVBAGLBSA-N	241.161	4.892	0	10	BJAE	
CCCC(CCC)C(=O)c1csc(CC)c1	1936772117	NNXWYROTMCUTNY-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CC(C)[C@@H](C)C1(O)CCCCCCCCC1	1938718469	ILDUYKBYUMGPJI-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC)CC1(C)CCCCC1	1940414207	IFLHQDSGGOOHKP-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCCC1CC1)CCC1(C)CC1	1940795355	FOKBAVODFVWELM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@@](O)(CCCCCC1CC1)C1CCCCC1	1941574454	AXEWXEWGAPPPTM-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CCCCCC1CC1	1941582591	YDBDTRYOFRMUJT-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CCCCCC2CC2)C1	1941587878	WSLLCVACLTWQHY-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccccc1CC(C)C	1941848885	VLSKYMSIWVHTPK-CYBMUJFWSA-N	232.367	4.504	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)CCC(F)F	1942312316	XMYCJWMHXIIKLY-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCCCCC[C@H](O)C(C)(C)C1CCCCC1	1944619717	YQYIGTFZJXYTPP-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1CCCCC1(F)F	1946993351	ZBMIGNONBZVPSW-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC=C[C@@H](C)N[C@@H](C)c1cc2ccccc2s1	1947056376	CQBVKKUFJRFTFL-NEPJUHHUSA-N	245.391	4.517	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(O)CCCCCCCCC1	1947866333	MEEBUPKQGNRYLV-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CC(C)c1csc2nc(C3CCCCC3)cn12	1948482321	LNVTWUPLRFVDMM-UHFFFAOYSA-N	248.395	4.567	0	10	BJAE	
CCC(CC)(CC)[C@H](N)[C@@H]1CC[C@@H](C)[C@@H](C)C1	1948920337	BTQASGMTSNALOU-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
CCC[C@](N)(CCC1=CCCCC1)C1CCC1	1949047853	ZZVIXFVXQNHBKP-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCNCC(CC)(CC)[C@H]1CCC(C)(C)C1	1949520469	QNFUJQNDBGTLNJ-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc([C@H](C)C(C)(C)C)[nH]c21	1949762832	UAXJSYPLSMYCIM-AXFHLTTASA-N	234.387	4.560	0	10	BJAE	
CC1(CCCC(=O)c2ccsc2Cl)CC1	1959878355	IUUSJVPTHXBVOJ-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
C[C@]12CCC[C@H]1N(CCCCCC1CC1)CCC2	1966613042	LDSDQBJSZJEOLG-IAGOWNOFSA-N	249.442	4.611	0	10	BJAE	
CC1=CC[C@@H](NC2CCC3(CCCC3)CC2)CC1	1967713582	OXXDCTOXEFTAMP-OAHLLOKOSA-N	247.426	4.578	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@@H]2CCCC[C@@H]2C1)C1CCCC1	1967859349	CNIANBZXSVWNBH-LTIDMASMSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@@H]2[C@H]3CCC[C@H]32)cc1	1968368829	ORTZNUIPHXZZTF-VZEFYGNVSA-N	244.378	4.625	0	10	BJAE	
CC1(c2csc(-c3cccc(Cl)c3)n2)CC1	1968396235	ICRSKNJYORRLRX-UHFFFAOYSA-N	249.766	4.515	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCCC3(CCC3)C2)c1	1968596737	VBMWEYKQQAUBPJ-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1N[C@@H]1CCC12CCC2	1968673752	MVRHTRKUFWGJMW-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCC2(CCC2)C1)C1CCC1	1969867782	ZKOAUINWVGGEQA-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCCC1(CN[C@H](C)C2CC3(CCC3)C2)CCC1	1971567322	NIJXXHFWTXERNC-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CN1CCCCC12CCCCC2)C1CCC1	1972911323	DWAWEGIWHGVTAI-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC1CC(CC)(CC)C1	1972937333	ZDAABBXZCCJHGZ-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C(CC)CC	1984616770	QJMUAQYVZDPGQU-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1C[C@@H]1CCC	1993068389	DFYUFUFMCPLTEJ-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC(F)(F)CCCCNc1ccccc1Cl	1993567282	RJPGNZGCFBHRQE-UHFFFAOYSA-N	247.716	4.577	0	10	BJAE	
CCCC[C@](O)(CC)CCCCC(C)(F)F	1993578262	OSDNTQUGRBFMTE-CYBMUJFWSA-N	236.346	4.533	0	10	BJAE	
CSc1cccc2c(C3CCCC3)coc12	1995497352	ZIVCPGOENPHOLF-UHFFFAOYSA-N	232.348	4.812	0	10	BJAE	
CCC[C@@H](C)CNc1ccccc1SC1CC1	1996549918	SMKMLTKXNYLJFQ-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CCCC[C@H](NCC)[C@H]1CCC[C@@H](CC)CC1	1997106210	SDTGBDBXPORFOK-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC=CCCC1)C(C)C	2000000154	ZQKICRHQXDJQPW-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CCCC(C)(C)C1	2000050305	FMHPVLCWDRKLGP-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CCCC(C)(C)C1	2000166031	HGRIZFNRBRAADE-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@H]1CC12CCCCC2	2001255842	OWXQOECPGYOCNY-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@H]1CCC12CCC2	2001851932	QOLXHIHPGVLZTA-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](C[C@@H]1CCC12CCC2)NCCC	2001858768	FYROUGUDDMQKBG-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC([C@](C)(N)CC(CC)CC)CC1	2002925672	OUDAMGSSZBIENT-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)C[C@](C)(N)C1CCC(C(C)C)CC1	2002926829	WBNZTEDAEHNBLV-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H](C)C(C)(C)C)CC1	2002928655	ZGOIDXKHEARZMT-ZUJMUWTESA-N	239.447	4.616	0	10	BJAE	
CCCC1(NC[C@H]2CCCC(C)(C)C2)CCC1	2002993202	JBDQYLQHMYWMDF-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(N)CCC(CC)(CC)CC1	2004337381	QQUJIFLMYHNHHR-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)[C@H](C)NC1CCC(C)(CC)CC1	2004341132	HKIGLKLVIZOPCC-JEYLPNPQSA-N	239.447	4.760	0	10	BJAE	
C[C@@H](C[C@@](C)(N)C1(C)CCC1)C1CCCCC1	2004818546	ZJKWLIWGGDDNHS-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCCCC12CC2	2005544603	GGBUTTZYWGATAH-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCC(C)(C)C[C@]1(CO)CCCCC12CCC2	2005577976	XJDGWNRUPSOCCV-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
C[C@H]1CCC[C@@H]1Oc1ccccc1C(C)(C)C	2006728356	UCZGEFOKUFDFQR-JSGCOSHPSA-N	232.367	4.552	0	10	BJAE	
CCC1(C)CC(Nc2ccc(C3CC3)cc2)C1	2009308212	KPHOIMUUAXJLPF-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
C[C@@H](C[C@H]1CCC(C)(C)CCC1=O)C(C)(C)C	2009404901	SHLBSUPAJTXBFZ-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
C/C=C/CCC[C@](C)(CCCC)CNC1CC1	2009630452	XRTIOJRLLRRFRY-NBUZRDOWSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)[C@@H](O)C1=CC[C@@H](CC)CC1	2010713800	OGTMXDNQOSSGRP-CZUORRHYSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@@]12CCC[C@H]1C2	2011022604	XNVNDELBGUIMAK-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(C)(C)CNCCC[C@H]1C[C@@H]1C	2011584626	UMZFDIYULAQSBB-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H]1CCC1(C)C	2014850423	VPRSORYMNWZWBJ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)C(CC)(CC)CC	2015280019	BNZUOIUQDSRNDC-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCC1CCC(N(C)C[C@H](C)C(C)C)CC1	2015335833	NLFZAEPIQMDWDJ-FHERZECASA-N	239.447	4.569	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H](C)CC(C)(C)C)CCC1	2015644489	NJRUDOMVYJDYRS-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCCC1(C[C@@H]2CCC[C@@H](C(C)C)N2)CCC1	2015647037	DDLWNWNVCUPOJK-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2C=CCCCC2)CC1	2015743224	KMFDVSVQDXZKDL-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CC(C)CCC[C@H](O)CC1(C(C)(C)C)CCC1	2017117528	WEIPWKVXJWKOOA-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CC(C)C1(C[C@@H](N)CC2CCCCC2)CCC1	2017147363	CCCISQFSURWILP-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1(C[C@@H](N)C[C@@H](C)C(C)(C)C)CCC1	2017148378	NMXPUJSDXKVJTP-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CCCC1(NC[C@H]2CC[C@H](CC)CC2)CCC1	2017727539	BCWUTQDXAPILMN-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)Nc1nccc2ccsc12	2018079615	ORYTVJMUNCKTQE-GFCCVEGCSA-N	248.395	4.677	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1(C(C)C)CCC1	2018133493	FKYXYKLOOBAQLZ-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(CC)[C@@H](C)CC)CC1	2019478139	PJYQEYLPNYRXCA-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H]1C[C@@H]1C(C)(C)C	2022592373	XTNFHEUNKBHHSO-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)[C@]1(C)C=CCCC1	2023176295	KJTZQPQHMUWPMP-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2CCCC(C)(C)C2)CCC1	2024100420	CLDCUTKMDAFFBF-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CC(C)(C)CCC2=O)C1	2024126861	YXELFJUVUUZUPX-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H]1[C@@H](C)CCC[C@@H]1NCCC	2024509145	FGLFNCWGDIMNBS-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@@H]2CCN[C@@H]3CCCC[C@H]23)CCCCC1	2027309545	QYKGBNHGZAEDPN-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C[C@@H]1CC1(C)C)c1ccccc1C(C)C	2027517319	FZOYFOXXZZTUSY-CJNGLKHVSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@H](CCC[C@H]1CC1(C)C)c1ccoc1	2027854501	FRRPMUOCROBHAM-LSDHHAIUSA-N	249.398	4.537	0	10	BJAE	
CC[C@]1(CC2CCCCC2)Nc2ccccc2O1	2027874782	JXAWCNFGQBRLNW-INIZCTEOSA-N	245.366	4.568	0	10	BJAE	
CCC[C@H](C(=O)c1coc2ccccc12)C(C)C	2028257341	ISASOWUSNFHLQY-LBPRGKRZSA-N	244.334	4.688	0	10	BJAE	
CC(C)C(C)(C)CN1CC=CCC12CCCCC2	2032661981	RLXQKVZIAHVGFF-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCCNC[C@@]1([C@@H]2CCC(C)(C)C2)CC=CCC1	2037683178	QRWRSVFGLSIYQD-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](C2(CNC3CC3)CCCCC2)C1	2037694461	MMSWPZHLLQHQTR-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(NCC2(C)CC(C)C2)cc1	2038875104	RYWURWGPKYBLPY-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2CC23CCCCC3)c1	2039059659	WGRTZQUWGUTNAF-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
CC1CCC([C@H](C)N[C@H]2C=CCCCCC2)CC1	2040648865	XILQVCJPFYKORG-XGHPGWEVSA-N	249.442	4.680	0	10	BJAE	
CC[C@H]1CNCC[C@]12CCCC1(CCCCC1)C2	2040766055	YNZOPZXVAPBYFT-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
N[C@@]1(C[C@@H]2C=CCC2)CCCC2(CCCCC2)C1	2040766411	DCKQKCSIGSRQOW-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H]1CCC[C@H](Nc2ncccc2C)CC1	2041498215	HJOBQYPYLPTKKE-CABCVRRESA-N	246.398	4.551	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@]2(C)CC=CCC2)c1	2042072012	LVUQBYHEDFPVGM-IAGOWNOFSA-N	244.378	4.590	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC[C@H]3CCCC[C@@H]32)C1	2045515860	FXIZCWPXMPRDRE-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CCCC1([C@@H](C[C@H]2C=CCCC2)NCC)CCC1	2045797069	NMSZWTZHLJPPOX-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047438554	TZTQBYAWUUXBIA-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)CCC2=CCCCC2)C1	2049537908	VSKSUGCENNTQIJ-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
NC1(C=Cc2ccccc2)CCCCCCCC1	2049670088	QNCGTQVOVSBGOJ-UHFFFAOYSA-N	243.394	4.532	0	10	BJAE	
C[C@@H](NC1CCCCCCCC1)c1ccccc1	2049671456	DRWSTTKWAGXHII-OAHLLOKOSA-N	245.410	4.840	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@@H](N)CC1CCC2(CC1)CC2	2049849389	PYSADWBTBCYUEW-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(N)(C[C@@H]2CCCC3(CC3)C2)CC1	2049852464	DWWOTTPNGSCYHN-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)C[C@@H]1CCCC2(CC2)C1	2049932196	IAPNIDRDQOIJOT-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CN(C[C@@]1(C)C=CCCC1)[C@H]1CCCC(C)(C)C1	2049957183	ADFCJFRBAYOOJH-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
CC(C)(C)NC[C@@]1(CCC2CC2)CCCC12CC2	2053358885	MARBAJVYBHRSKL-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1CNCC1CCC=CCC1	2053392693	AXINNOSJZNRRCJ-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CC1(CCC[C@H](N)[C@@H]2CCCCC23CCC3)CC1	2053416963	XDDVPAHJPJEWBZ-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCCC(=O)CCc1ccccc1C(C)(C)C	2053962671	MTDJEVLYEAMVFS-UHFFFAOYSA-N	246.394	4.676	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2CCC[C@H]2F)cc1	2055274260	FKDLQEAEYZQUAQ-HZPDHXFCSA-N	249.373	4.722	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CCC3(CCCC3)C2)CCC1	2055554850	MOQJGCOOMBWNPD-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC1(C[C@@H](N)C2CC(C3CCC3)C2)CCCCC1	2056680557	SXQUTMGEWNPHRR-UYSNPLJNSA-N	249.442	4.501	0	10	BJAE	
CC=C(C)[C@H](NCC)c1ccccc1C(C)(C)C	2056783363	VFJARZPNBMNEJS-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
N[C@H](C=C1CCCCC1)[C@@]12CCCC[C@@H]1CCC2	2056877694	BYAZEOYIGYEYQR-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@]3(C(C)C)C[C@@H]23)c1	2058564057	ZMEJBXDQLNJIBH-ZMSDIMECSA-N	243.394	4.540	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@@H]1C(C)=CCC[C@H]1C	2059174073	VBVJYZZAKRIRMW-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CNC[C@]1(CCC2(C)CC2)CCCCC12CCC2	2059177826	MQZPIIMIKNCYLX-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
C/C=C/CCC[C@@H](O)c1ccc2ccccc2c1	2059220717	DMXJYUAMUKQEQW-RCAFFNEUSA-N	240.346	4.620	0	10	BJAE	
C/C=C/CCCC[C@H](NCC)c1ccc(C)cc1	2059246737	HHYQISNCOSUKTC-YXMMZVCTSA-N	245.410	4.782	0	10	BJAE	
CC=CCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]21)NCCC	2059247918	WMNHOXMYWZAAKI-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H]1NCCC12CC(C1CCCCC1)C2	2059467213	OTJXQZYHBXWDPH-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CC[C@@H](C)[C@H]2C(C)C)CC1	2061121771	JHSKESPDOMJDQY-MUIFIZLQSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(F)c2cccc(N)c2)CC1	2061145883	BYYGJZYTVHNBSO-MLGOLLRUSA-N	247.357	4.590	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC[C@]12CCC[C@@H]1C2	2061606384	LFYHSJOWQVHYPR-AIANPOQGSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C[C@]12CCC[C@H]1C2	2061616512	JXINTRNANTXECP-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)CC[C@@]12CCC[C@@H]1C2	2061639201	RQOGIGVOZYBUAA-RKTXRCNFSA-N	249.442	4.501	0	10	BJAE	
CC1(CCN[C@@H]2CCCCCC23CC3)CCCC1	2062018680	SKYBLQQCFBKPAX-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2C[C@@H]3CCC[C@H]3C2)C1	2063501593	POACAMHCLQSTLU-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H]1C[C@H](CC2CCC=CCC2)CC(C)(C)C1	2063643518	UXMIZVVUVBWSSV-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CC23CCC(CC2)CC3)[C@H](C)C1	2065337592	BFYVTTIJEVRATG-AXRJEEMOSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)[C@H]2CCC2(C)C)cc1	2068288541	CQAQJFAACFXKJL-APHBMKBZSA-N	246.394	4.670	0	10	BJAE	
CN[C@H](CC(C(C)C)C(C)C)c1cccc(C)c1	2068816289	AFWWGTRLXHOSPO-QGZVFWFLSA-N	247.426	4.574	0	10	BJAE	
Cc1cccc([C@H](O)CCC(C(C)C)C(C)C)c1	2068822718	LYFXNSQCHMQKNH-QGZVFWFLSA-N	248.410	4.737	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@H]2CCC3(CC3)C2)CCC1	2069339456	JJXUSDYOINLTGY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)CC1=CCCCC1	2070408432	OTUXRIUJQCXKNN-HZPDHXFCSA-N	249.442	4.990	0	10	BJAE	
CCCC1CCC(CN)(C[C@@]23CCC[C@H]2C3)CC1	2070968195	SICJWWPKVSQJCV-XGHPGWEVSA-N	249.442	4.502	0	10	BJAE	
CC(C)C1(CC(=O)C[C@@H]2CCC[C@@H]3C[C@H]23)CCC1	2071922867	WSMOVENKYQNUST-SQWLQELKSA-N	248.410	4.598	0	10	BJAE	
CCCCc1ccc(C(=O)CC[C@@H]2C[C@H]2C)cc1	2072078986	CLBYVMQSABLKNI-CZUORRHYSA-N	244.378	4.648	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCCCC[C@@H]2N)CC1	2072822194	SBDDVZUZVLXURX-ZOBUZTSGSA-N	249.442	4.811	0	10	BJAE	
CCCCCc1ccc(C(=O)C[C@H](C)C2CC2)o1	2077978852	NTUGMBVUFMEAPF-LBPRGKRZSA-N	248.366	4.631	0	10	BJAE	
CCCCc1ccc([C@H](C)[C@@H](C)NC(C)C)cc1	2078005608	NTENOLHFDKDTOR-HUUCEWRRSA-N	247.426	4.519	0	10	BJAE	
N[C@H](CCCC1CCC1)[C@@H]1C[C@@H]1C1CCCCC1	2079436129	SNYSYNJXPFPIBG-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC[C@]1(C[C@@H]2C[C@@H]2C2CCCCCC2)CCCN1	2079624294	BKYCDLOKYONOCY-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1COc1ccc(C(C)(C)C)cc1	2079812864	JJZLNKRAPLPDEQ-BBRMVZONSA-N	246.394	4.655	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C[C@H](C)c1ccccc1	2079867606	VJZYNCUPPGVILM-NUEKZKHPSA-N	244.378	4.576	0	10	BJAE	
C[C@@H](CC12CCC(CC1)CC2)[C@H]1CC[C@H](N)CC1	2082138146	ZXLIDTXMJKPAFE-LQWAEYHHSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@](C)(O)c1cccc(C(C)(C)C)c1	2083541020	GHPKJSRBMBYYDA-QGZVFWFLSA-N	248.410	4.772	0	10	BJAE	
CCC(C)(CC)CNC1CC2(C1)CC1(CCC1)C2	2083642194	RQSIXZZZWVPFFB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1cc(C)cc(C)c1	2086054954	XAWFPNGJGARABQ-GUYCJALGSA-N	247.426	4.910	0	10	BJAE	
O=C(CCCCCCC1CC1)CCCC1CC1	2213581565	YCNBQOVOLQNADV-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@H]1CCC[C@@H](C[C@H](N)C2CCCCC2)C1	2214765947	RDSOGZVUEYCDFW-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@H](N)CC1(C)CC(C)(C)C1)C(C)(C)C	2215384827	GSLBEHBHOSZJJZ-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
CC1=CC[C@@](CO)(CCCCCC(C)C)CC1	2215837731	QZQSOYLFNLAHQB-INIZCTEOSA-N	238.415	4.702	0	10	BJAE	
CCC(CC)C[C@]1(CN[C@@H](C)CC)C=CCC1	2217130563	PCZRTUQIVXIBLH-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(N)CCC(C3CC3)CC2)C1	2218896359	HKYXRSIUDLUWIP-PXZKZTPFSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C/C=C/c1ccccc1)NCCC	2219083428	WMFIHPHZNYIKFA-XLNAKTSKSA-N	245.410	4.648	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@@H]1CC12CCC2	2220044662	GQKXXISYEYAODG-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C1(C)CC2(CCC2)C1	2220999358	HSHZUWPFDSNORW-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@]1(C)CC=C(C)CC1	2221596105	AGGWIURNZPACJU-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCC1CCC1)[C@@]1(C)CC=C(C)CC1	2221616806	VSYPAIUFXDHUSH-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H]([C@H]1CCC(C)(C)C1)[C@@]1(C)CC=C(C)CC1	2221629131	YOBJIYWLYTZRPM-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2CCC[C@@H](C)C2)CC1	2221645020	WAWZPVWMLDQANF-VYDXJSESSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC[C@](CNC2CCC2)(C2CC2)CC1	2223578213	TXVVWHSMKOTIQO-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN2[C@H]3CCCC[C@H]3C[C@H]2C)CCC1	2224078754	IBKARZRGCOVIKS-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@H](CC)CCC	2244774733	INYATBIHZFVJCX-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(C)cc1C	2244800490	MJKGETWQQJPERH-CQSZACIVSA-N	219.372	4.542	0	10	BJAE	
CC1CC(C)(C[C@H](N)C[C@H](C)CC(C)(C)C)C1	2246584292	ISTRHYREDASDGU-PGOFDVKTSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)C2CC(C)(C)C2)C1	2246662929	JBNIZIXNFSJZCW-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)CC[C@H]1CCC[C@@H](C)C1	2246728283	QBTLAYGBOQWXFL-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](O)C1(C)CCCCC1	2247161444	AXNRYFBGNBZFLT-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCC[C@H]1C[C@@H]1C)CC(C)(C)C	2247165475	MJJTZGNZPZVHRK-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(CN)C(C)C	2250490332	IBOWKCKDMQPZQZ-HZPDHXFCSA-N	241.463	4.850	0	10	BJAE	
C[Si](C)(C)CNc1cccc(C2CCCC2)c1	2251223861	QZYYEWLBOFMNOD-UHFFFAOYSA-N	247.458	4.634	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CCC1CC(C)C1	2251752432	ZMXZOAIQJQHXTD-GRAKBVBRSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(-c2nc(C3CCC3)c(C)s2)cc1	2252759567	SNNRMPJVTRURCH-UHFFFAOYSA-N	243.375	4.694	0	10	BJAE	
CC1CC2(C1)CC(N[C@@H](C)C1CCCCCC1)C2	2254162036	WROZXITWAVYVFI-ZFBLFJJNSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(=O)CCCCC[C@H]2C[C@@H]2C)cc1	2254526974	CCYZYAJJNHCHPD-HOCLYGCPSA-N	244.378	4.784	0	10	BJAE	
O[C@]1(CC2=CCCCC2)CCCC12CCCCC2	2255065822	XOGWHIGUJWZLJW-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@H](C[C@H]1CCCC12CC2)NCC	2255228508	STYXVPAORGGWMD-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C[C@@H]1CCCC12CC2	2255246401	MRSDLRABQMFHNJ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C[C@@H]1CCCC12CC2	2255325947	BRUUDMCTMFFLDP-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CNC2(CCC2)C1	2259615606	RHYGPIWQFIMKHP-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@@]12CCC[C@@H]1CC2	2260505317	HBSQQOXUGFVTRY-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
O[C@H](C1=CCCCCCC1)[C@@]12CCCC[C@@H]1CC2	2260517174	AHMFISPEYNOWML-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@@]12CCC[C@@H]1CC2	2260673516	SEGVBSFVMIMILD-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC1CC(C)C1)C1=CC[C@@H](C)CC1	2261497571	NLTWIPVOWJGBKR-ARAOSMHQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](N)(CC[C@@H]1C[C@@H]1CC)C1CCCC1	2298126483	XQVXUKDVQGESMP-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1CC(O)([C@@H](C)CC2CCC2)C1	2298855420	UFJJRLAAWAOANU-JEYLPNPQSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC1CC1)C(=O)C(C)(C)C1CCCCC1	2298942559	MEXRSERNZCRMHM-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](C)O[C@](C)(O)CCCC(C)C	2300475958	RFIBRKGJKXDHRC-GJZGRUSLSA-N	244.419	4.507	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)C12CCC(CC1)C2	2300697084	KPYQSWNSPOCTBZ-HWOWSKLDSA-N	237.431	4.501	0	10	BJAE	
C[C@](O)(CC1CCCCCC1)CC1CCCC1	2301137535	KMHVILRZXDRMAT-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CC1CCCCCC1	2301138214	SBDDIWDWMODAFY-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)CC1CCCCCC1	2301140226	NEEXUAHEZNOQTR-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@H](C)[C@H](C)C(C)C)cc(C)c1C	2301835699	HVVLTFPUVQZNLG-UKRRQHHQSA-N	233.399	4.704	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H](O)CCC1=CCCCC1	2301936591	XFOFZQCSVGARPJ-SQWLQELKSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCCc1ccc2c(c1)CCC2(C)C	2302228756	JWLQQHSCWQSBKW-UHFFFAOYSA-N	230.395	4.889	0	10	BJAE	
Cc1sccc1-c1ccc2c(c1)CCC2(C)C	2302248549	CYUFRQQRUNLTSB-UHFFFAOYSA-N	242.387	4.947	0	10	BJAE	
CCC[C@H]1CCCN1CCCC1=CCCCC1	2302358761	JWBNPIMAVVWSNM-INIZCTEOSA-N	235.415	4.532	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)C[C@@H]1CCC(C)(C)C1	2302753219	LSPFESPDNPDTGV-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCC(C)C)C[C@H]1CCC(C)(C)C1	2302902593	RBLMMXQHXFFHHI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CC[C@H]1C(C)(C)C	2303402497	GKPVXCXDRVSZRE-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N(CC)C[C@H]1CC[C@@H]1C(C)(C)C	2303504404	VJMGOAJMQWHYHI-HIFRSBDPSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)CC[C@H]1CCC(C)(C)C1	2304436862	UKKZUHKRRPVZFS-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC1(COc2ccc3ccccc3c2Cl)CC1	2307641718	IKMHPRPUHQQSOE-UHFFFAOYSA-N	246.737	4.672	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1C[C@H]2CC[C@H](C1)C2	2307761609	UQPHBCGPORPPBE-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN)CCCC(C)(C)C1	2307823818	PRQCSEWFIMPWOZ-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@H]1CC[C@H](CC)CC1	2307894257	QGNOPRHQYGEMBA-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@]12CCCC[C@@H]1CC2	2307898908	NUZBRFVGNNFCRZ-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)C1CCC(C)CC1	2307902760	MHSGANLLQWPDHS-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CCCCC1(C)C	2307904489	SYDZPFXIAAVYBR-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)C1CC(C)C1	2307909514	KRNPQIADQCWPLS-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2CC[C@@H]3C[C@@H]3C2)cc1	2309162833	WPSQZYAOXGVPTF-IMJJTQAJSA-N	244.378	4.625	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)[C@@]23CCCC[C@@H]2C3)C1	2312670143	LKVMABQXTNXVRV-KLZNWCGWSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC(=O)[C@@]12CCCC[C@@H]1CC2	2313310297	YUVSQAHFUXLVGB-ZOMKSWQUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC(C)C)c1ccc(C)c(CC)c1	2314701481	CMMJCDCKKVNQBK-QGZVFWFLSA-N	247.426	4.644	0	10	BJAE	
CCC(C)=CCNC[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2316487508	BYTUSMJJWSYRDL-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC(=CC[C@H](N)[C@]12CCC[C@@H]1C2)CCCC(C)C	2316501395	DWUWMHUTCNOCKN-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2CC[C@@H]2C2CC2)C1	2319495699	BBMURSWZPDGHLG-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(N)(CC[C@@H]2CC[C@H]2C2CC2)CC1	2319741887	SALUVTSXSHQAFY-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC(=O)C[C@@]12CCC[C@@H]1C2	2320227438	ZGFYOQXXSCUGGA-LGWLGOQQSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)C2(C)CC(C)(C)C2)CC1	2320328955	RMBRXMLVTXWKRL-HUUCEWRRSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCCC23CCC3)CC1	2320388507	QQKYQPOZFNLIQN-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CC)[C@]1(C)C=CCC1	2320432395	IUQRPGPWWSGXSH-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC)CCCc1cccc(C(C)C)c1	2320622955	KHTIRTAKDGSBAO-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2CCC[C@H]3C[C@H]32)C1	2321604297	ACUYUFLNEKLIGK-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@@H]2C[C@@H]2C2CC2)C1	2321625693	CKXCAOVSJQOVLV-JGGQBBKZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)CCc1ccccc1	2328203278	ZPXFGPLOWADIGT-WBVHZDCISA-N	248.410	4.587	0	10	BJAE	
CCC(CC)N[C@H](C)c1ccc(C(C)C)cc1	20545079	ZDTBPPSJMABRGU-CYBMUJFWSA-N	233.399	4.649	0	10	BJAE	
C[C@H](Nc1ccccc1F)c1cccc(Cl)c1	21818301	JBZYHGPUVKLFGT-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CC(C)=CCNc1ccccc1-c1ccccc1	38998412	UWUNINYGTPUSBM-UHFFFAOYSA-N	237.346	4.732	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cccc(F)c2C)cc1	43319453	WOKINYQLELGTBL-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
Cc1cc(C)c2oc(C3CCCCC3)nc2c1C	62533923	ZQUQGFQRSWKOPX-UHFFFAOYSA-N	243.350	4.801	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)c1cc2ccccc2o1	62797920	AJROIXVQOMNIAR-GXTWGEPZSA-N	245.366	4.520	0	10	BJAE	
C1CCCCCC([C@@H]2CCNC2)CCCCC1	79902896	DWBSXNWRNNIIMT-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CCc1cccc(N[C@@H]2CCC[C@H](C3CC3)C2)c1	81624291	IIFUNTGRHNGMPE-DOTOQJQBSA-N	243.394	4.630	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCC[C@H](CC)CC1	83435737	JRNQPBUZDIAKNF-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H](C)C[C@@H]2C)c1C	85085459	CXWUPGRLXVIMMY-CORIIIEPSA-N	231.383	4.540	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCCCC(C)C)CC1	86944735	UIOOYSJBXSTMOD-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CC1(CNC(C)C)CCC1	87411566	PGRULFLVXFYSKZ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](C)(O)[C@H]1CCCC[C@@H]1CC	87649044	FCABACLTKVRGQH-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H](NC)C1CCC(C)(C)CC1	87942523	FRAKTQBSKWRPAN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1cccc2cc([C@H](O)C(C)(C)C)oc12	88072380	KRKAHNQOOLADTO-HNNXBMFYSA-N	246.350	4.636	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCCC(C)(C)C2)c1	91510101	JXMJLBBAVPWWOS-CYBMUJFWSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](NC(C)C)c1ccc(C)cc1C	93074082	NHRAIPAAVYSURL-INIZCTEOSA-N	233.399	4.533	0	10	BJAE	
CCCC[C@@H](NC(C)C)C1CCC(CC)CC1	93074369	ZDDPEXRKMYJPBZ-UYSNPLJNSA-N	239.447	4.760	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC1(C)C)C1CCCCC1	94279339	DVRAZAYPQZLCMA-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCC1(C)C)c1ccccc1	94306025	PDKABNXPZCLYEZ-HZPDHXFCSA-N	245.410	4.696	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](c1ccc(C)cc1)C1CC1	109944363	FKKRSMDWJFCQQN-SJORKVTESA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CC[C@H](c2nc(C(C)C)cs2)C1	131953678	IJPSSITYMUGCSX-MNOVXSKESA-N	223.385	4.560	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NCCCC2CC2)cc1	161470882	SORYQLDYMSSKFY-CQSZACIVSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1(CC)CCCC1	167117521	BBTDKJVVGATSKP-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2c(C)cccc2F)CC1	224960959	MVKSDUZLGAZLFF-KGLIPLIRSA-N	249.373	4.905	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H]1CCC[C@@H]1C	226879597	BZDQCMYDZXOTQX-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC([C@@H](C=C(C)C)NC)CC1	229744498	BBASCQQNTWYYFO-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(Cl)c(NC2CCC(C)CC2)c1	232230655	YVFASZVJTGPPKH-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@@H](CC)Cc1ccc2c(c1)CCCN2	233000655	UQTGDEFUPPOBGX-CQSZACIVSA-N	245.410	4.804	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H]1CCCC[C@H]1CC	253184845	HUGCIIPRKUXQPI-ILXRZTDVSA-N	238.415	4.988	0	10	BJAE	
Cc1cc(C)c(C)c(C(F)(F)C(C)C)c1C	259037116	SIKDOXQDIURTGO-UHFFFAOYSA-N	226.310	4.668	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(CCCC(C)(C)C)C1	305958911	WIZYSPMATSAZBK-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)CNc1cccc(C(C)C)c1	305984789	RXOKNOPPEVKEFM-AWEZNQCLSA-N	233.399	4.904	0	10	BJAE	
CC(C)C[C@@H](C)C1(N)CC(C)(C)CC(C)(C)C1	306110954	VYJURLRSRFURLN-CYBMUJFWSA-N	239.447	4.602	0	10	BJAE	
CC(C)(CN[C@@H]1C=CCCCCC1)C1=CCCC1	308769660	ZSDUXACLALAIQI-MRXNPFEDSA-N	247.426	4.601	0	10	BJAE	
CCC1(Cn2ccc3ccc(Cl)cc32)CCC1	310168368	SRNZFFMCUCIUGS-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(CC)CNC(C)C	317891232	VWIPSFSDKXWTCZ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H](C)[C@H](C)CC)C1(C)CCCC1	318832911	FOZVYWKUUJNJOC-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)NCC1([C@@H](C)C(C)C)CCCCCC1	319815513	JFBJLNKAFPVQMF-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)CC1CCCCCC1	319843504	MKROGKUJVWNQFF-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1ccc(C)c(Cl)c1	320165753	LRLLTEDAOBSAJN-KOLCDFICSA-N	238.758	4.513	0	10	BJAE	
Cc1cccc(S[C@@H]2C=CCCCCC2)c1N	379833983	CTKWYIUFXVTNOX-CYBMUJFWSA-N	247.407	4.558	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@](C)(O)C2CCCCC2)C1	380037338	IDIKVMKZVSTYAQ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)C1(CCC)CC1	380662068	AVWWHNPRZFCPQL-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
Cc1cccc2c3c([nH]c12)C1(CCCC1)CCC3	381010021	LKTHFABVFLKASK-UHFFFAOYSA-N	239.362	4.624	0	10	BJAE	
COc1ccc(NCCCCCC(C)C)c(C)c1	383147392	GSGAOXZRGHRXSS-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CC(C)CCCCCC(=O)CC(C)(C)C	383214552	BLUZBSDOYWBLSW-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)[C@H](C)C(C)C	383380965	MBLGLESCHWUCHO-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCCOc1ccc(N[C@H](C)CC(C)(C)C)cc1	384705448	FLYFKMFJGXJRPN-CYBMUJFWSA-N	249.398	4.712	0	10	BJAE	
CCNC[C@@H]1CCCC[C@H]1CCC1=CCCCC1	384994388	UHFLLNLWKLQISU-IRXDYDNUSA-N	249.442	4.683	0	10	BJAE	
CC(C)C[C@H](C)CNc1cccc(C(F)F)c1	386162517	LGMPLCOARHKYHE-NSHDSACASA-N	241.325	4.718	0	10	BJAE	
CC1CCC(Nc2cccc(C(F)F)c2)CC1	386234550	XNULXVUKZWKIAZ-UHFFFAOYSA-N	239.309	4.615	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NCC1(C)CCCCCC1	394658238	RBZFGQCVKCMCNX-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCc1cc2ccc(C(F)F)c(F)c2s1	396214642	NBDWJZNHPCDIOY-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCC[C@@H](Nc1ccc(CC)cc1)[C@H]1CC1(C)C	397640283	XOHQAJJEIOZOCT-HZPDHXFCSA-N	245.410	4.876	0	10	BJAE	
Cc1c(F)cccc1C(=O)CCC1CCCCC1	399013551	SKVBEBNQXDYQES-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@H]2CC=CCC2)c(C)c1	402187520	GEYSGAOAEPRZRC-OAHLLOKOSA-N	242.362	4.541	0	10	BJAE	
CCCCCCNc1ccc2c(c1)CCCCC2	404737770	CHGXOJJBTLYDJL-UHFFFAOYSA-N	245.410	4.948	0	10	BJAE	
CSc1ccccc1NCCC(C)(C)C1CC1	405980032	ZHESXIXBYHWKOF-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CSc1ccccc1NCC1(C(C)C)CCC1	687268434	ZPKALHXDAIFDCG-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CCC1([C@@H](CCCC2CCC2)NC)CCCC1	688359157	QODUFEZDMRREAA-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CCC1=CCCC1)CC(F)F	688878239	VKBBXABOBWVAAM-JTQLQIEISA-N	202.288	4.558	0	10	BJAE	
Cc1cscc1N[C@H](C)CC1CCCCC1	689780043	XMYPYMDQUOIXAY-GFCCVEGCSA-N	237.412	4.827	0	10	BJAE	
Cc1cc(N[C@@H](C)CC2CCCC2)ccc1F	689805079	YBMLCGYBGZZSMR-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CCC(F)(F)C(C)(C)CC(=O)[C@H](C)C(C)(C)C	691059699	DBNRFMDFYCPYEY-JTQLQIEISA-N	248.357	4.699	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@H]1CC2CCC1CC2	691662936	ZUPOUQIFAGADJQ-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc([C@H](N)CCC(C)(C)CC)s1	696652312	PUXWATMKEVZWMM-GFCCVEGCSA-N	239.428	4.527	0	10	BJAE	
CCNCC1(CCC(C)(C)CC)CCCCC1	696678954	PRSIDLCNFNRXLO-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1ccc(C)cc1C	697773497	DLNVANLKVGNEAG-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCN[C@H](CCC(C)(CC)CC)c1ccccc1	701164615	DJLLGBLVVLRNDR-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@]1(C)CC1(C)C	702160097	PLCZWIMZUCIVFQ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCCCCC1(N)CCC2(CCCC2)CC1	704444351	QQILFRPXHWDFGX-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@@H]1CCCC[C@H]1C	704850052	GMHFIKPPEWNTLW-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)CC1CCC1	704944324	ZCYBTCUJAZFCLY-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@H](C)CC(C)C)C(C)(C)C	711110711	HMSYDVIYLDBWBX-RBSFLKMASA-N	241.463	4.848	0	10	BJAE	
CN[C@@H](CCC[C@H](C)C(C)(C)C)c1ccccc1	711238213	BBNVYPUUBHCIPA-HOCLYGCPSA-N	247.426	4.800	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CCC(C)=C(C)C	718773348	MVLLLLAWNKWJMP-AWEZNQCLSA-N	224.388	4.764	0	10	BJAE	
CCCN[C@H](CC)[C@H](CC)CC1CCCCC1	720428636	ZHEBRQGVCFSCET-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CC(C[C@@]2(N)CCCC23CCCCC3)C1	723586968	CTMIYKUKZRDHRH-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
C=C/C=C/CCS[C@H](C)c1cccc(OC)c1	1165816722	KQISXOMNYSGSFE-URWSZGRFSA-N	248.391	4.622	0	10	BJAE	
CCCCc1ccc(SC(C)C)cc1	1775954659	YYILZASJISQLSN-UHFFFAOYSA-N	208.370	4.530	0	10	BJAE	
CCCC[C@@](C)(N)CCCC1=CCCCC1	1901964346	KPBFPTNQWCOGQV-OAHLLOKOSA-N	223.404	4.565	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1cc(C)sc1C	1905391165	PRHKINSZZGRBAX-OCCSQVGLSA-N	239.428	4.581	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccc(Cl)cc1	1905448100	HCGXJPYUXLRHTD-LLVKDONJSA-N	238.758	4.739	0	10	BJAE	
CC(C)CC(O)(CCC[C@@H]1C[C@H]1C)CC(C)C	1908554728	GQAASLKOYRBCES-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)[C@H](C)CCC	1908567394	BZDKNZMIYQCTDT-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H]1C[C@H]1CCC)C(C)(CC)CC	1910652124	XTORBAXBPBIIBE-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC=C[C@H](C)Cc1ccc(C(C)C)cc1	1912104862	AQECTWBFOBBLQD-AWEZNQCLSA-N	216.368	4.955	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)C1CC2(CCCCC2)C1	1912630522	LDCJBMRCPYGVJV-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CC1(C)CCCC1)c1ccc(C)cc1	1919881867	RTGMWTVKASEMQQ-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H](C)C(C)(C)C	1920186505	OMAIQRHUGJOZST-KCQAQPDRSA-N	227.436	4.602	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC[C@@H]1CC1(C)C	1921416273	IKOHAUILYFAOFJ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](C)(CO)C1CCCCC1	1923913871	XXYITRNQPGYJCW-ZBFHGGJFSA-N	240.431	4.638	0	10	BJAE	
CC1(C[C@](C)(CN)C2CCCC2)CCCCC1	1924113237	SLCZEWVSDQZTHL-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC1CCC(CC(=O)[C@@H](C)C2CCCC2)CC1	1924139827	TVSNLPPQVIEZPO-MOKVOYLWSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCC[C@H](C)CC1	1939896728	ZUGCWSZRWKYNML-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
C[C@H](C[C@H](N)CC1(C)CCCCC1)C(C)(C)C	1940410570	SCSCWIHBURMOOR-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(=O)CCC1CCC(C(C)(C)C)CC1	1941155528	IMGBFDRBFZHWDM-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](CCCCCC(C)C)NC	1941266029	ZAQSBTJSJSILRH-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)CCCC1CC1	1944666231	OKYYZCMVNKXAMO-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C1CCC(C)(C)CC1	1944796637	GSBZAYCQGPXPAF-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCC[C@H]1C)C1CCCC1	1944854252	XFZHDSODNWPRPV-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](C(=O)c2ccc(C3CC3)s2)C1	1945579634	QVLCIGKSTWNDEH-NSHDSACASA-N	248.391	4.635	0	10	BJAE	
Clc1ccc2[nH]c3c(c2c1)[C@@H]1CCCC[C@H]1C3	1946274145	HVTKEGSZELMGCP-GXSJLCMTSA-N	245.753	4.651	0	10	BJAE	
CCCC[C@@H](CC)NC1CCC(C(C)C)CC1	1948423245	OTFMXXCITCOFDQ-HWOWSKLDSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)C[C@@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948586941	PCFRHPCOMRWPJP-ARFHVFGLSA-N	238.415	4.534	0	10	BJAE	
CC1(CCC[C@@]2(N)CCCCCC2(C)C)CC1	1949054383	LDVXBEXGDGBCEY-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC1(C)C[C@@H]1CCCCC1(CO)CCCCC1	1950371673	KENUBEAEIAXCJM-AWEZNQCLSA-N	238.415	4.536	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(CN)CCC[C@@H](C)CC1	1950925404	SWEOZTFNVPZCMT-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCCC2(C)CC2)CC1	1950930142	MWDQDBZPTXDYQI-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC(CNC[C@]2(C)C=CCCC2)CC1	1966037221	FYKZYDNVQQTFTE-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCC1(CC)CC(Nc2ccc(Cl)cc2)C1	1968266440	ZWPKEZBFIDFJQB-UHFFFAOYSA-N	237.774	4.721	0	10	BJAE	
CCC[C@H](N[C@H]1CCCCC12CC2)[C@@H]1CC1(C)C	1972744160	MFIHONGOAGFQSP-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@](C)(CCC=C(C)C)CNCC	1978638212	KQOKWPKRTNSOLK-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CCC[C@@H](C)CNC1CCCCCCCC1	1980318202	XCNZWUMBRFPQGI-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
C/C=C/CCCCC[C@H](CCC)NCCC	1984632073	IXWPCPQTIBBYLM-SZTZYQKNSA-N	225.420	4.681	0	10	BJAE	
CCC[C@@H](O)CC[C@H]1CC[C@H](CCC)CC1	1989807758	MWWUNGJJIANYBM-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)C(CC)CC	1990093860	PJUDJWUWCLLVFE-UKRRQHHQSA-N	227.436	4.760	0	10	BJAE	
CCc1cccc2c(C3CCCC3)coc12	1995497577	CFSJJOCDBNIFJA-UHFFFAOYSA-N	214.308	4.653	0	10	BJAE	
CC[C@](N)(C[C@H](C)C1CCC1)C1CCCCC1	1996570747	QFETYKSVUAVWSN-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@H](C)C1CCCCC1	1996610407	IYQINFXGUHLOQZ-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CCC2CCC2)CC1	1997112919	AFEFTQAFPMCXHH-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1ccccc1C(C)(C)C	1998752213	LXDVMIMJUVJYQC-TZMCWYRMSA-N	231.383	4.585	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CC(C)(C)C(C)C)C1	2000171309	YEHUTGNEAFDZCK-OCCSQVGLSA-N	236.399	4.620	0	10	BJAE	
CCN[C@H]([C@@H](C)[C@H](C)CC)C(CC)(CC)CC	2000375197	ZRWJXSDEYVFGHD-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
CCN(C[C@H](C)CC(C)C)c1ccc(C)cc1	2000906521	RAUTXLLRWQHWRR-OAHLLOKOSA-N	233.399	4.504	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1[C@H]2CCCCC[C@H]12	2002154623	FITLNMNJTHKCHB-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@]1(C)CCCC1(F)F	2002579459	LJPNPKDNOCMJDW-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CCc1ccc2nc3c(c(Cl)c2c1)CC[C@@H]3C	2002853863	RVTGULRWMNTOHN-VIFPVBQESA-N	245.753	4.500	0	10	BJAE	
CCC[C@H](C)[C@@](C)(O)C1CCC(C(C)C)CC1	2002923236	DWPNVUIXPFEKHC-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CC(=C[C@@H]1CCCC(C)(C)C1)CNC(C)(C)C	2002993106	IHHNOSIHIJPSJJ-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H]1CCCCCC[C@@H]1CC1CCCCC1	2003097167	DOJVTRNNIFDMAJ-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)CN[C@H](C)[C@H](C)CC(C)C	2004705650	IZSPTUMEANVHKS-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCC(C=C(CO)C1CCCCC1)CCC	2004707493	XUTGALLSHBLKSK-UHFFFAOYSA-N	238.415	4.702	0	10	BJAE	
C[C@H]1CC[C@@H](NCC2(C)CCCCCCC2)C1	2004936546	AXBUQCROQRJOSN-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1cscc1C(=O)[C@H]1CCCCC12CCC2	2005562776	FEGKERQTOJQIGE-CYBMUJFWSA-N	248.391	4.600	0	10	BJAE	
CC1CCC(C)(C(=O)CC2(C)CCCC2)CC1	2007682513	AOKYJWILKVHEDB-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@H](N)CC1CC(C2CCC2)C1	2007753160	BNUOSXCGULQNRQ-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC=C(C)[C@H](NCC)C(C)(C)C1CCCCC1	2007852940	IUDSJIGWEXREOP-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC1(C)CC1)NCCC	2009548523	QFANZGXCFIMNAH-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCCC1CC(NC2CCCCCCC2)C1	2009714268	NPHGAXHFZFRVBU-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C1=CC[C@H](C)CC1	2010628166	ZEYXDLRICJCMTD-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](NC)C12CCCC1CCC2	2012119515	GFHQMULEFGWCGM-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](CC)CCC(C)C	2013271451	SGAGGNDBHKGPFK-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
C[C@H](N[C@H](C)C1(C)CCCC1)C1(C)CCCC1	2014368386	APHVSNRMIXIDRG-OKILXGFUSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@@]2(O)CCCC(C)=C2C)CCC1	2015640673	UZZBUPDUJVCFNS-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC1(CCC)CCC1	2015640770	WDUFAGYXEOFJPA-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CC[C@@H]1C1CCC1	2017030675	ASIGDVINSICWTJ-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CC1(C(C)C)CCC1	2017115349	XGZQJZOBSHNKDK-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CC1(C(C)(C)C)CCC1	2017125547	OOTRFTWRPPMXQY-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCCC[C@@]1(N)CC1(C(C)(C)C)CCC1	2017148988	VFYHNZGTDKIPQD-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(C)(C)C[C@@H](C)N)CC1	2017732945	GELZKRAYXQDSON-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)N(C)C1CC(C)(C)C(C)(C)C1	2019295763	OVZVLFDKAWRFQF-ZDUSSCGKSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC[C@@H]1CC1(F)F	2019591018	UTMXTNYYGLJREK-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)C[C@H](C)CC(C)(C)C	2022490966	XLNKZGWTVXPUGA-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
CCCCC(=O)CC[C@H]1C[C@H]1C1CCCCC1	2022560788	RETHDWSXOCFUJV-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)Nc1ccc(F)cc1CC	2023448869	UIOASSVQEIAHGK-UHFFFAOYSA-N	237.362	4.769	0	10	BJAE	
CN[C@@H](C)CCCC1CC(C)(C)CC(C)(C)C1	2024090955	DAPDHUHCRIFEHH-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CC(C)(C)C1(C)C	2025017497	BGGDWYBPWGEGHC-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(=O)c1ccc(-c2ccccc2)s1	2025598928	ZKPUGSRZJQRDCB-UHFFFAOYSA-N	244.359	4.644	0	10	BJAE	
CCC(C)(CC)[C@H](O)Cc1ccccc1C(C)C	2027444115	DYOVSEHPBUKYNS-MRXNPFEDSA-N	248.410	4.540	0	10	BJAE	
CCCCCC[C@@H](N)c1ccccc1C1(C)CC1	2028603561	XXINTLFZCABLTR-MRXNPFEDSA-N	245.410	4.708	0	10	BJAE	
C[C@H](CC1CCC2(CC1)C[C@H]2N)C1CCCCC1	2030092194	XNDPKZHMHZKXPM-FDVNEVKMSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNc1ccc(C2CCC2)cc1	2032514407	MMFUWYBQSAGWRB-XJKSGUPXSA-N	243.394	4.802	0	10	BJAE	
CCC[C@@H]1CNCCC1=C[C@@H](C)C1CCCCC1	2032536574	FYTVBSCVLMZFEK-RHSMWYFYSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1CC1CC2(CC2)C1	2036733106	XYSQKBUHQDYPLB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](N)(C2CC3(CCC3)C2)C1	2037135485	KHNMKZYSZTWTMY-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)CC1CC(C)(C)C1	2037147464	XVXPRVGHSVREQT-SUMWQHHRSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@H]1CCC2(CC2)C1	2038573989	BQXOZLGINHOXCB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(NC[C@H]2CC23CCCC3)cc1C	2039090330	AZVGCOOXQYKSSE-OAHLLOKOSA-N	243.394	4.550	0	10	BJAE	
CCc1cccc2ccn(C[C@@H]3CC[C@@H](C)C3)c12	2040137318	HYRDCNIFSUONEA-ZIAGYGMSSA-N	241.378	4.640	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC1(C)C)[C@@H]1CC=CCC1	2042023395	AXXGIPHOEOMMLP-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCc1cccc(C(=O)[C@@]2(C)CC=CCC2)c1	2042099628	WPVDELTWPVTZDC-KRWDZBQOSA-N	242.362	4.568	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@H]1CCC2(CCC2)C1	2043615300	MAPFDULOWDBNIP-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H]2CCC=CCCC2)C1	2045309760	JKAARFHFNJTNPB-PMPSAXMXSA-N	248.410	4.908	0	10	BJAE	
CC(C)(C)[C@H](NC[C@H]1CCC=CCCC1)C1CC1	2045318801	YROJMPCZQDGCJY-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCC1CC([C@@H](C[C@H]2CCC=CCCC2)NC)C1	2045329122	LJJCSDHSALBFHI-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
O[C@H](CC1=CCCCC1)C[C@@H]1CCC=CCCC1	2045344466	ZWDZRXQLRVOZDW-WBVHZDCISA-N	248.410	4.764	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](C[C@@H]1C=CCCC1)NC	2045722314	UPWXHAPAOUJBLP-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@@H]1CC(C)=C[C@@H](C)C1	2045779769	PFOWBVIXPLHYER-XOKHGSTOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@H]1C(C)=CCC[C@@H]1C	2045805741	MKQUNANTVMQMAJ-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@@H]1CCC12CCC2)CC1(C)CCCC1	2047929795	TVISMKKDILNLEM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1[C@H]2CCC[C@H]21	2048478651	LXINESWFXLIPNS-MUJYYYPQSA-N	244.378	4.543	0	10	BJAE	
CCCc1ccc([C@@H](O)CC2(C)CCCC2)cc1	2049791086	BPUYDOAHKXYHBO-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CCN[C@@H](C[C@H]1CCCC2(CC2)C1)CC1(C)CC1	2049856525	QWPFKDJJDMWMQP-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCC(C)(C)C)c1ccccc1C	2050460073	DHXVAYQLXIFIPP-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2051611433	DWGZOWKFKJKEDH-AFEQQHIUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NC[C@]1(C2CC=CC2)CCCC1(C)C	2053697073	KALRNPCDKSPICK-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](N[C@@H]1C=CCCC1(C)C)C1CCCC1	2055540775	IARXQBPQVRIDGB-HZPDHXFCSA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](CC1CC=CC1)C1(C)CCC(C)CC1	2056557566	VTWKBSZDSNTWAG-ARWYELJZSA-N	249.442	4.537	0	10	BJAE	
N[C@]1(C=C2CCCC2)CCCC2(CCCCC2)C1	2056916882	NAHFDAUWQBCHAG-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CCC1(CC)CC(N)(C[C@H]2CCCC3(CC3)C2)C1	2058827931	NGWBZOHOAVUYQI-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C1=CC[C@@H](C)CC1	2060911756	ZRYDHWWAESESNV-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](CC)CC1)C1(C)CCCC1	2061082153	UBMCUIVJPLZWND-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C(C[C@H](O)c2cccc(C)c2)CC1	2061099378	OUGVOFXXZDNJFW-PBHICJAKSA-N	244.378	4.555	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CCC2CCCC2)NC)CC1	2061149106	AIHAFALRPHVLPB-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](C[C@]12CCC[C@H]1C2)NCCC	2061619100	YUGOEUSMTULHNW-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C2CC(=C3CCC3)C2)C1	2061730451	IHZZRJVVXIUGDM-CHWSQXEVSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCCC12CC2)C1CCCC1	2062019571	JGSZCXCELCHRMK-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC(C)CC1(CN[C@@H]2CCCCCC23CC3)CC1	2062023037	JHMOASZQIPKWRH-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)C=CCC2(CCC2)C1	2063650475	UKVPLHUDVVZZJL-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCNCC1(CC23CCC(CC2)CC3)CCCC1	2065327000	IOMAIFBIJNOWOZ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC[C@H](CC23CCC(CC2)CC3)C[C@@H]1N	2065339341	LJEOPGLWNHQCET-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC2(CC3CCC3)CC2)C1	2069586360	BSHXKLGZGNZRQJ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccc(C)c(O)c1C	2070396615	BPVTVYKVWVNDER-CYBMUJFWSA-N	247.382	4.556	0	10	BJAE	
Cc1cc(C)cc(N(C)CC2(C(C)C)CCC2)c1	2071916829	DFWJUMKLDNQNNS-UHFFFAOYSA-N	245.410	4.566	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@H]1CCCC2(CC2)C1	2072424278	JPDJWPYJMXCILW-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@]12CCCC[C@H]1C2	2074045616	GEQGTUSMRQNFEN-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)N1C[C@H](C)Cc2ccccc21	2075232557	BUNPRASTBIVLJN-CABCVRRESA-N	245.410	4.510	0	10	BJAE	
CC(C)=CC[C@@]1(N)CCCC[C@H]1C1CCCCC1	2075825660	DXCXORMIAKUQJM-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
c1ccc(C2CC2)c(NC[C@@]23CCCC[C@@H]2C3)c1	2077263253	OVZHPVZOLSZBDX-PBHICJAKSA-N	241.378	4.556	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@@H]1C[C@@H]1C1CCCC1	2079491247	HYNDQIPYBNLSRX-FVQBIDKESA-N	246.394	4.518	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CC(=O)C1CC2(CCCCC2)C1	2079865612	PBWMXAZJHZQCMU-HIFRSBDPSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCC12CCCC2	2081949374	OUHHYUKIZRSQJM-HNNXBMFYSA-N	247.357	4.523	0	10	BJAE	
Cc1cc(C)c(C)c(CCCC(=O)C(C)(C)C)c1	2082950947	BOIFCXKENPEUCA-UHFFFAOYSA-N	246.394	4.550	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@H](C)C(C)(C)C)c1	2082951584	VBNRHBSWFXURNU-ZDUSSCGKSA-N	246.394	4.867	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)[C@@H]2CC23CCCC3)C1	2082975513	JMERTAJVGLUDKQ-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CC(CC)C1)C[C@@H]1C=CCCC1	2084996312	VFUUSZQVZSRVCF-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCc1ccccc1	2085946614	ZRBXQMCZFGUVEV-HNNXBMFYSA-N	246.394	4.795	0	10	BJAE	
Cc1cscc1NC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213296211	IFGNARLTLJQQJI-WDNDVIMCSA-N	249.423	4.685	0	10	BJAE	
CC1(N)CCC(CCCCCCC2CC2)CC1	2213573592	JLOHSBWRDYFBDR-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H](O)[C@@H](CCCCCCC2CC2)C1	2213580705	NRPSCGNIOKPYOO-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@H](N)CCCCCCC1CC1)C1CC1	2213580932	QHSLOYPYOLTPHR-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](CC[C@H]1C[C@H]1CC)NCC	2215252974	NYIIEHFZRJRKDG-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1CC(O)(CC[C@H]2C[C@H]2CC)C1	2215253799	PDHGXVQAERMLDY-FYRZTWFESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(CC)(CC)CNC(C)C	2215265962	NFGNIAPZIBGSDI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CNC1(C)CC2(CCC2)C1	2215370883	XJQOYUUMGYOURS-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NC2CCCCC2)C1	2216248560	YGNTVXGNAZDHHS-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218325453	PERYHTYDYOBHLN-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CC[C@@H]1C1CCC1	2218718788	RDLQFGYPANSCBT-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](CC=Cc1ccccc1)NC	2219090043	HZOJALAFJXABMD-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)c1ccoc1C	2220027520	JEKYUSOLLJRRAM-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CC2(C)CC(C)(C)C2)c1	2221028631	RQHDIZOWYSAZNY-HNNXBMFYSA-N	245.410	4.520	0	10	BJAE	
CCCN(CC1(C)CC2(CCC2)C1)C1CCCC1	2221068911	VMKLPVVEAYERKT-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CCC[C@H]2CC2(C)C)CC1	2221615282	KRFCOLVQHRAMFL-UXLLHSPISA-N	249.442	4.667	0	10	BJAE	
CC1=CC[C@](CNC(C)(C)C)(C2CCCC2)CC1	2221662229	HCGCQCHPVXEIMW-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(C[C@H]2CC[C@@H](C)C2)CC=C(C)CC1	2221666709	JDHCQLVQRMVVSB-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC1=CC[C@H](N[C@H](C)[C@H]2CCCC(C)(C)C2)CC1	2221669447	XJZNMOQFDXLMSV-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
CCCNc1cc2ccccc2c([C@@H](C)CC)n1	2223382342	CWWOEENDEWORHQ-LBPRGKRZSA-N	242.366	4.570	0	10	BJAE	
CC[C@H](C)NCC1(CC2CCCC2)CC2(CC2)C1	2223595105	NFSBVOXFCNMBDP-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C(=Cc1ccccc1)Cc1cccc2ccoc12	2224191046	WRSMCMYOELHLTC-UHFFFAOYSA-N	234.298	4.689	0	10	BJAE	
CCN[C@H](CC)CC[C@H](C)CCCC(C)C	2244836787	LDLCZKCZDJIEGQ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CCNCC(C)(C(C)C)C(C)C	2248373911	PRXIAGSJZOPXFW-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CCCN(CCCCC[C@@H]1C[C@@H]1C)CC(C)C	2248845483	QCCCOXQABUOIHO-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@@H](CC)CCC	2250359536	SEVQNJIEDOEANP-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
CC[C@H](C)[C@](C)(N)CC[C@@H](C)CCCC(C)C	2250473551	FCBQECLBACBXIQ-HRCADAONSA-N	241.463	4.993	0	10	BJAE	
CCC[C@@H]1C[C@H]1NCC[C@H](C)CCCC(C)C	2250489520	ZNTCWSNGNDFQHB-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C=C1CN[C@H]2CCCC[C@H]2C1)CC	2253795900	UWAMCNGXEVZAMM-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2(N)CCC3(CC2)CC3)C1	2254000718	GNLVKKICKJSSRT-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CC2CC3(CCCC3)C2)CC1	2254056245	PPYKCIOPVDSCKU-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@@H]1CC1=CCCCC1	2255092425	UIZPALWWPZIRJI-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C1(CC)CCC1	2255093550	GNMJWLYQTYBXNH-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCc1ccc([C@H](NC)[C@@H](C)[C@H](C)CC)cc1	2256300437	GRXMMNYMILAOLN-JKIFEVAISA-N	247.426	4.582	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCCC2(CC2)C1	2257311091	KTBQETQRKIMWEL-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CCC2(CCC2)C1	2257316477	RFRNDYGXPBHOLG-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(C)c1NCCCCC[C@@H]1C[C@@H]1C	2257333739	YSCDQHMQCGLIIR-JKSUJKDBSA-N	245.410	4.932	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2C=CCCCC2)c1	2257905150	GEIGPTOYTVMPBV-OAHLLOKOSA-N	243.394	4.895	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@]23CCC[C@H]2CC3)C1	2260509076	SYPJUYGOOVNKEG-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@]23CCC[C@@H]2CC3)c1	2260516414	MQEJVMUYFVYBJK-WBVHZDCISA-N	242.362	4.573	0	10	BJAE	
C1CCCCC(NC[C@]23CCC[C@@H]2CC3)CCC1	2260547792	XELILEYLBMZCQO-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@@]12CCC[C@@H]1CC2	2260587398	MQEIONXSDPIMPF-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@]23CCCC[C@H]2CC3)C1	2260656356	FUPITFSFZXUYQL-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
CC(C)CC[C@H](N)c1cccc(C2CCCC2)c1	2260722502	AEFAUQJHGUDJFL-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CC(C)(C)CC1CC(C[C@@]2(N)CCC23CCC3)C1	2261136240	XJYHQKZTCPHQPT-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
Cc1cocc1C(=O)CC1CC(CC(C)(C)C)C1	2261262773	BRGLCSUELYZFAD-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
CCC(CC)CCC(=O)C1CC2(CCCC2)C1	2300685773	IXKSWZQFAITSMS-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C[C@@H]1CC1(C)C	2300686696	UCGKWDDTPFSOJQ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@@H](O)CC=C(C)CCCC(C)C	2300860740	KAIIYZLITPQMGJ-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H]1CCCCC1(C)C	2300897315	RKQGHPIIXUSCHH-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@H]1CC=C(C)CC	2300925570	DMAAZNNQPNDBQE-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(CC2CCCCCC2)C1	2301144296	CAVPNYRIZYFEPK-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@@H](C)[C@@H](C)C(C)C	2301825952	PIWHOOORLZCEJN-VGWMRTNUSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)CCC(=O)c1ccccc1	2301906560	AUROXGUHBYXCHC-KBPBESRZSA-N	232.367	4.578	0	10	BJAE	
CC1(C[C@H](O)CCCCC2CC2)CCCCC1	2302569148	HMPLUEPYHQMHKA-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)CCCCC2CC2)C1	2302752883	ITPCIMXIXMRMAK-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(=O)C[C@@H]1CCC(C)(C)C1)C(C)C	2302880242	KJYYTRRCVZKFQC-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1CCC(C)=C(C)C1	2303516296	NUOYXKDWESDFNT-CABCVRRESA-N	236.399	4.908	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@H]1CCC[C@H](C)C1	2306838376	ZQFWZIDJHWTOQT-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC1(N)CC(CC(C)(C)C)C1	2307819231	JTYZHQDPPHBSCW-VQCLRJIVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CC1CC(C)C1)NCC	2307894487	RILZKXUUIJMWOD-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C[C@H](C)CC(C)(C)C	2307896209	YQSPZMDOMSEKNS-SOUVJXGZSA-N	241.463	4.993	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](CC)C[C@@H](NC)C1	2307906557	GIITVDBDYWNBHQ-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC2=CCCOC2)CC1	2307921128	ZAWHPQROQOBYCB-SHTZXODSSA-N	236.399	4.720	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CC[C@@H]2C[C@H]12)C1CCCCC1	2308153472	VBARQZGBRNHGMC-DNNBLBMLSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)C[C@@H]1CCC[C@H]1C	2308413941	REALTGRGDBAKCV-AIANPOQGSA-N	249.442	4.667	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@@]12CCC[C@@H]1C2)C1CCCCC1	2310388326	WPIXQJXOANNARN-DZUCGIPZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313187985	DLNIIBRQVTUGAX-ZHCJQAHYSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CC1)N(C)[C@@H]1CCC2(CCCCC2)C1	2313598556	GMUSKGGHKIDYEH-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CCC1)[C@H]1C=CCCC1	2313662148	QBIJNBJGTWBZMS-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN[C@H]1[C@H]2CCCC[C@H]21)CCCC(C)C	2316492495	TXOLWUZWKJETMK-BJWYYQGGSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@@]2(C)C[C@@H]12)CCCC(C)C	2316492714	URGJEMFYYUDYRS-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
NC1(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCCCC1	2316874808	TUCGXKRJUZNNKF-JYJNAYRXSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cccc(OC)c1C	2318394731	CMBYRYNPAAIDJE-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
O=C(CCCCC1CC1)C[C@H]1C[C@H]2C=C[C@H]1CC2	2318882507	ZIZFEBVNANAOAD-HRCADAONSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc(OCC[C@H]2CC[C@@H]2C2CC2)cc1C	2319748429	JVJALLLSJZIPDG-NVXWUHKLSA-N	244.378	4.509	0	10	BJAE	
CCC1(C)CC(N(C)C[C@@H]2CCC(C)=C(C)C2)C1	2320390821	NOANWCGSGTUICF-KLAILNCOSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)c2cccc(F)c2)CC1	2320415853	DZZVWUQWQLKRFW-CYBMUJFWSA-N	246.325	4.535	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1cccc(C(C)C)c1	2320587424	UOYJDTKZUBVXLZ-YOEHRIQHSA-N	248.410	4.916	0	10	BJAE	
CC1(C)CC[C@H](CCNC[C@]2(C)C=CCCC2)C1	2321540416	AKSKQWVXIUNZFR-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](CC)CC1(N)CC2(C[C@H]3CC[C@H]2C3)C1	2328267799	DGZQAHSWBFAMJH-OLGJIQAVSA-N	249.442	4.501	0	10	BJAE	
Cl/C(=C(/Cl)c1ccccc1)c1ccccc1	28302	FTIHFTVXYNBUSM-BUHFOSPRSA-N	249.140	4.990	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)CCC(C)C)c(C)c1	20548038	NHKGVHKAZJQSSG-HOTGVXAUSA-N	247.426	4.779	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1)c1cccc(F)c1	21521126	VZHSITWDUNIKKA-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccc(Cl)cc2C)o1	21792824	AVDWBOIWMMUXPN-LLVKDONJSA-N	249.741	4.723	0	10	BJAE	
Cc1ccccc1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	37216390	QOHKANFHZFATRQ-BZUAXINKSA-N	243.394	4.766	0	10	BJAE	
CC(=O)c1cccc(-c2ccc3ccccc3c2)c1	38069683	JXOBLJLGWPPRNH-UHFFFAOYSA-N	246.309	4.709	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(SC)cc2)C1	71104971	NURONCWVRLQIIW-TZMCWYRMSA-N	249.423	4.789	0	10	BJAE	
CC1=C(C)C2(C)c3ccccc3C1c1ccccc12	71788865	NUCJZLXWVZVWOT-UHFFFAOYSA-N	246.353	4.788	0	10	BJAE	
Cc1cc([C@H](C)c2ccccc2)c(O)cc1Cl	75841883	QABZNCCIMHTOCP-LLVKDONJSA-N	246.737	4.506	0	10	BJAE	
CCN[C@H](c1ccc(C)c(C)c1)C1(C)CCCC1	94900217	QLUFAPLBTPTFNZ-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCCC[C@@H](O)c1ccc([C@H](C)CC)cc1	109785597	HVENFZIQALEFGF-CZUORRHYSA-N	234.383	4.814	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)c1ccco1	110226660	HBMSPLIENOOCKK-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CCCCCCNC1CC(C)(C)CC(C)(C)C1	124739310	QXNCVCNGGTVYMX-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C1CCC(=CBr)CC1	138214301	LMADEQMYLCBYDW-UHFFFAOYSA-N	231.177	4.502	0	10	BJAE	
CCCCC[C@H](NCCC)C1C(C)(C)C1(C)C	159656185	IBJUMKKMHBCIBQ-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1C)[C@H](C)CCC	163538782	SCGIQMVJSMDVFJ-RHSMWYFYSA-N	247.426	4.780	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1cc(C)cc(C)c1	165738982	HOAXZUNHHNSJTN-HOCLYGCPSA-N	244.378	4.703	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)C1CCCC1	168035786	DMXKBGAGCVHQQY-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](Nc1ccccc1)c1ccc(Cl)c(F)c1	212785579	GROBNAHAYYQICR-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](C)c1cc(C)ccc1C	212822385	YHOWOFIYWVTXRW-WBVHZDCISA-N	247.426	4.575	0	10	BJAE	
CCCC[C@@H](CC)CNCCCC1CCCC1	225241034	RWPREEQFURBUPX-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](O)c1ccc(C)cc1C	225399841	ZTFDOTVXWSXUPI-UAGQMJEPSA-N	246.394	4.553	0	10	BJAE	
Cc1cccc2c(C3CCC(C)CC3)c[nH]c12	232822464	WTXBXKRSIPQKFN-UHFFFAOYSA-N	227.351	4.770	0	10	BJAE	
CCCC1(CCC)CNc2c(C)cc(C)cc21	232937028	JNARVKRBPTZNEQ-UHFFFAOYSA-N	231.383	4.567	0	10	BJAE	
CCCCc1c[nH]c2c(C(F)(F)F)cccc12	233007292	FLBPOIPKNVHRAA-UHFFFAOYSA-N	241.256	4.529	0	10	BJAE	
CC[C@H]1CCC[C@H](Oc2cccc(C)c2C)C1	234081995	HYPXQRVHYDALCS-GJZGRUSLSA-N	232.367	4.651	0	10	BJAE	
Cc1cccc([C@H](O)C2=CCCCCCC2)c1C	235925376	YAMJCGWHBPSZTE-QGZVFWFLSA-N	244.378	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H](C)C(C)(C)C)C1	253192357	NEPDYYSTPUPELV-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CCc1nc(-c2ccc(CC(C)C)cc2)cs1	259382700	UEPOJYAUDQZAJM-UHFFFAOYSA-N	245.391	4.571	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H](C)CCCC	300873517	FDHSNMZNDMPSRM-KBPBESRZSA-N	226.404	4.988	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CCCC(C)(C)C	300912934	SGFZOLCUFXCTEH-KGLIPLIRSA-N	228.420	4.780	0	10	BJAE	
Cc1cc(C(=O)C[C@H](C)CC(C)C)sc1C	300998652	WSYSQHIGXJALLV-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
CCCNC[C@H]1CCC[C@@H]1CCCC(C)(C)C	302260910	FAXPUVVTGXBDPO-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCC(C)(C)C)cc1F	302552018	VXJJQYPFOQLJFA-LBPRGKRZSA-N	237.362	4.761	0	10	BJAE	
CC1(C)CCC(C[C@H](O)CC2CCCC2)CC1	310151888	PGELVTPSGOGEKX-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC1CC1)C(C)(C)C(C)(C)C	310509881	UJXPKACMMFACSB-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)c1cccc(C)c1C	380665946	XJUSNHWJJOMFDN-SUMWQHHRSA-N	247.426	4.636	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1csc(Cl)c1	382066451	DSPXPUPIMKQQEU-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(O)CCC1CCCCC1	383134403	XJTOKXVRUYNDLO-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
Cc1ccccc1C[C@H](O)CCCCCC(C)C	383483221	FAFLDRPGRRHCSM-QGZVFWFLSA-N	248.410	4.505	0	10	BJAE	
CCCNCC/C=C(/C)C[C@@H](C)c1ccccc1	384866311	HVFLRJPVNJSZRH-QOBZYLRHSA-N	245.410	4.516	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCCCC23CCCC3)[C@@H]1C	386625600	NMDYXJFRRQEJSN-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
Cc1cscc1N[C@@H]1CCC[C@H](C(C)C)C1	387294457	IQHBDDPYIUMBQB-QWHCGFSZSA-N	237.412	4.683	0	10	BJAE	
CCCC1([C@@H](CCC2CCCCC2)NC)CC1	393855931	TVYUCHDZTTZQEV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@H](C)CC(C)C	395154522	GTSYYWUBKKSPNB-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccc(C(F)F)cc2)C1	395288788	LZQVTYBMYHXFIZ-ZWNOBZJWSA-N	239.309	4.615	0	10	BJAE	
CSc1cc2sc(F)cc2cc1C(F)F	396243407	NCGCIUJOWORDEX-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
C[C@H](COc1ccc(C(C)(C)C)cc1)C1CCC1	398684471	ZPBCKFFQBNGFME-CYBMUJFWSA-N	246.394	4.799	0	10	BJAE	
CC(C)CCCCCCNC[C@@H](C)C1CCC1	398797293	UZOWLKMWZACCLM-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)c1csc(C)c1	400476755	UTEDARSPVGKLKT-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1ccc(C)cc1C	401585881	MUHBUAQXGZKQDH-HZPDHXFCSA-N	245.410	4.932	0	10	BJAE	
CCCC[C@H](C)[C@H](CCCC1CC1)NCCC	405771386	ZYVXOTYTTRPNPR-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](CCCC1CCC1)NCC	688369453	RBYBJSKYQRULKE-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)c2ccco2)c1	689613956	PVDPSPJIEFGLEN-LBPRGKRZSA-N	243.350	4.578	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1Nc1ccc2c(c1)CCC2	691131430	AHRRVRNEIRWECH-DYVFJYSZSA-N	243.394	4.556	0	10	BJAE	
CCCNC[C@@]1(CC2CC=CC2)CCCC[C@@H]1C	692153661	FWEZHCPFJSZZSR-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1CCC[C@H]([C@H](CC(C)C)NC)CC1	695081323	OXSXTJTXTSXLMM-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CCCC(C)(C)CC1	695100649	SYYILFBSPGUXGD-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CCC1CCC([C@H](CCC=C(C)C)NC)CC1	697758689	DYOVTKKDRRHLMB-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC[C@@H]1CCC[C@@H]1CNC(C)(C)C	697774495	OWGLQHAFYBSOBZ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](CC1CC=CC1)NCCC	700808826	NHJNAXDIKXEIOT-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CCC=C(C)C)CC1	704906079	FUHLSEKPVSHYOG-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CCC[C@](N)(CC1CCC(C)CC1)C(C)(C)C	704914448	OMKSOZAPJBDWKC-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)C[C@H](C)CC(C)(C)C	709158003	ALYFXSOHTUQXCR-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@H](C)C(C)(C)C)C1	710755095	SYDSDNSYOMPXNI-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CC(=O)c1ccc(C)cc1C)C(C)(C)C	711091887	CBJCIZDMXZYEKX-CQSZACIVSA-N	246.394	4.949	0	10	BJAE	
CC[C@H](C[C@H](O)CCC1CCCC1)C(C)(C)C	711182683	UGDMJBWJOIVUIA-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2C[C@H]3CCCC[C@@H]32)c(C)c1	712414882	AIBWUAKNELVKMR-OWCLPIDISA-N	243.394	4.602	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@@H]1CCCCC1(C)C	713124942	KGBXXGUYLLUQJS-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H]1CC[C@H](C)C1	713176067	UIOAQCWHHKTQOZ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1	713499685	SRHUHPATIFNKFT-YCZSJOHXSA-N	249.442	4.703	0	10	BJAE	
C=C/C=C/CCNc1ccc(-c2ccccc2)cc1	713671675	QELNCRNHRXDEKS-ONEGZZNKSA-N	249.357	4.898	0	10	BJAE	
C=C/C=C/CC[C@H](CCC(C)(C)C)NCCC	713707403	ZFOBJFJXYYTOBM-XVJNWHFHSA-N	237.431	4.703	0	10	BJAE	
C(CN[C@@H]1CCC[C@H]2CCCC[C@H]21)CC1CCC1	714312231	WLBVVPADCGBARW-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714427093	XQNGCSJDZKMLBS-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714431347	XXLUDSNHXYYWKQ-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CNC1(C2CCC2)CCC1	717862785	KZAAIKCCWJZTEU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@H]1NC1CCC=CCC1	718051407	HELFAABJRORHAL-JKSUJKDBSA-N	249.442	4.680	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCCC1(C)C)c1ccco1	718937205	DDHRNLZYOYMWEA-DZGCQCFKSA-N	249.398	4.679	0	10	BJAE	
Cc1cc(CSCC2CCCC2)c(C)s1	1459287487	DJHPDURBZGJYGQ-UHFFFAOYSA-N	240.437	4.788	0	10	BJAE	
CC(C)c1cccc(CN(C(C)C)C2CCC2)c1	1615886656	AYBVOQMIUSDHCJ-UHFFFAOYSA-N	245.410	4.573	0	10	BJAE	
C[C@H](CN(C)[C@H]1CCCC[C@@H]1C)CC(C)(C)C	1653292853	KTUGBQKOOIVYRQ-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CNC1CCC2(CCC2)CC1	1655473506	CAXAFABUKWYHPR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)N1CC(C)(C)Cc2ccccc21	1875654783	RKMYUXYJAOKDPF-CQSZACIVSA-N	245.410	4.510	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CCC[C@H]1C(C)C	1907594399	NVDDSVNYHDRMKI-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@H]1CCCCCCCC1=O	1910796925	YYTULMWITWTHJE-KFWWJZLASA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)c1cccc(C)c1	1912026394	YTCLVVIHXNTHNW-QGZVFWFLSA-N	243.394	4.558	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCC2(CCCC2)C1	1916439211	RRGJFXIDQOJIJC-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](C)C[C@](N)(CC)c1ccc(CC)cc1	1920449005	LQDSLMZPMHQOIE-WMLDXEAASA-N	247.426	4.639	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)C1CC(CC)C1	1921288948	CYSKKKHHZOULKT-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H](CC[C@H]2CC2(C)C)c2ccccc2N1	1921558020	LWROQQRRPUCYKD-MCIONIFRSA-N	243.394	4.801	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1C=CCCCC1	1925919373	CZDSDUBTVMAEME-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)C[C@H](N)c1cccc(C(C)C)c1	1926384057	PHMFQTKETNJKIS-INIZCTEOSA-N	233.399	4.636	0	10	BJAE	
Cc1cc(Cl)ccc1C[C@@H]1C=CCCC1	1932600805	GSOXAZRCTXUTOM-GFCCVEGCSA-N	220.743	4.547	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC1(C)CCCCC1	1935621365	VPQSMVWKFHGDFT-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
c1cc2cc(N[C@@H]3C[C@@H]4CCC[C@@H]43)ccc2s1	1940420729	UQEVPKMLNWNUTG-LEWSCRJBSA-N	243.375	4.502	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H](C)C1CC1)NCC	1940722947	NFTZKTSEBPOMCM-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)CC[C@@H]1CCCC1(F)F	1940731231	JMWBIFBKUDTDNI-LBPRGKRZSA-N	246.341	4.742	0	10	BJAE	
CC1(CC[C@@H](O)c2csc3ccccc23)CC1	1940790647	PTBBLOKQVOTBFR-CYBMUJFWSA-N	246.375	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CCCCCC2CC2)[C@H](O)C1	1941573858	UDWBHTPYJDVPKO-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(NCC2CCC=CCC2)c1Cl	1941822242	WFOIGOLLXCCFDM-UHFFFAOYSA-N	249.785	4.807	0	10	BJAE	
C[C@H](C[C@@H](N)C1(C)CC(C)(C)C1)CC(C)(C)C	1941980463	RLNXHUAVQFUAFG-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
CNCC1([C@@H](C)CCC(C)C)CCCCCC1	1942657061	DZIGAOODEFLERY-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCc1ccccc1C(=O)[C@H](C)CCC(C)C	1942664313	WUFGWAJYUREADA-CYBMUJFWSA-N	232.367	4.504	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(F)CCCCC[C@H]1N	1943926366	KGSYAAJKENBMQA-ZNMIVQPWSA-N	243.410	4.593	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@@H]1CCC[C@H]1C	1944832371	NVKJUWKIDZJIPP-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CCNC1(C2CCCC2)CCC1	1945282600	MJJXIHUEUVTXGE-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](c1cccc2sccc12)C(C)C	1945970016	KBNVZLUFLGMCKN-OAHLLOKOSA-N	247.407	4.598	0	10	BJAE	
Cc1ccc(C)n1[C@H]1CCCC2(CCCC2)C1	1946449206	IKAARAQHAYPWBI-HNNXBMFYSA-N	231.383	4.780	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)CC1(C)CCCCC1	1947460713	HHWUVEOJDHZVNN-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(O)CCCCC12CCC2	1947901337	RWVJOEZHWTWHLI-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@@H](N)CC2CCC(C)CC2)CCC1	1948924739	PDKIRSKHVSJBIP-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C1=CCCCCCC1	1948949177	FGGYIZLPHBFGFY-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(CC)[C@@H](N)[C@H]1CCC2(CCCC2)C1	1949596912	REWGZUCOPJRYRT-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@@H]2C=CCCCC2)C1	1949738905	XFERBWRPFYQEAN-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@H]1CCC[C@H](C)CC1	1950921626	HHNVRDGNBBQHRA-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCc1ccc(C)c(C)c1	1963172495	BAYWWUZKEDYEQK-CXAGYDPISA-N	247.426	4.608	0	10	BJAE	
CCN(CCCCCC1CC1)c1ccccc1C	1966135921	ZRJSUPNGJHXNTI-UHFFFAOYSA-N	245.410	4.792	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@@H]2CCCCC23CCC3)C1	1966433595	FMMAOJQSPXDAAM-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC2CC3(C2)CC(C)(C)C3)cc1C	1968254606	JWBIRLGTHKOGNR-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CCCCC1CC(Nc2ccc(F)cc2C)C1	1968362013	VLJZUEJXXRNPHO-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cc(C(C)C)ccc1C	1968595729	AFXXAYODZVIUQJ-TZMCWYRMSA-N	233.399	4.965	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1N[C@H]1CCCC2(CCC2)C1	1968831867	YMZBAMAESBNXFH-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@H]1CC[C@H]1CC(C)C)c1ccccc1	1969296671	XSCAYSCAZNQXLQ-BBWFWOEESA-N	245.410	4.552	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H]1CCCCCCCC1=O	1980317995	ULKJINRWNKWXHM-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@](C)(O)CC1(CCC)CCC1	1988463485	GNRCNBVAOCAGPK-AWEZNQCLSA-N	226.404	4.678	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H](C)C(C)C	1990125587	NKVQOCSZHYBREZ-GJZGRUSLSA-N	227.436	4.569	0	10	BJAE	
CCCC1(C[C@](O)(CC)C[C@@H](C)CC)CC1	1990615096	VDTRSVJKEABBTL-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCc1ccc2occ(C(C)(C)C)c2c1	1995462709	APDJBKCGXJBVTM-UHFFFAOYSA-N	216.324	4.683	0	10	BJAE	
CC[C@@H](C)Cc1coc2c(C)ccc(C)c12	1995464601	UKENRZFNZIGGDK-SNVBAGLBSA-N	216.324	4.638	0	10	BJAE	
CC[C@](O)(CC(C)(C)C(C)C)C1CCCCC1	1996548610	RSUPIMCVDIPYGA-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CC1CCC([C@@](C)(O)C[C@H](C)C(C)(C)C)CC1	1996548947	SVENVGFXTMXZKR-HTHKGWQXSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)C[C@@H](N)[C@@H]1CCC[C@@H](CC)CC1	1997109113	NESOYEQRZZNUCO-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@]1(C)CC=CCC1	1997588299	NJDBTFFWBVLKEI-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CC1CC(C(C)(C)C)C1	1998239747	KAXZVEGKVJGFRO-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CC[C@@H]1CC(C)C	1998754604	DWGAECBQJQWWQY-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CCCC1(C(=O)[C@H]2CCC[C@H](CC)C2)CCC1	2000195407	RURWUGSUNHKRAG-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)C1(C)CCCCCC1	2000333630	ALFMILUMJVZTQG-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CC12CCCC2	2001258817	JBKITGQGMDRMRT-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H]1CCC12CCC2	2001843797	ITWREJOTTBWEQY-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NC1CCCCCCCC1	2003099227	KGGQDEIUXVRGOJ-ZBFHGGJFSA-N	237.431	4.658	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)CC(C)(C)C(C)C	2003174299	CNXKGCZQROOLCL-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)CCCCC12CC2	2005536963	QDGDCBDJPZTUOK-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)C1(C)CCCCCCC1	2006719975	YSZRZXSJKWJVEW-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@@H]1CCC[C@@H]1C	2006757911	GRVPZGWWQHABJK-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC1CC(C[C@H](N)CC2CCCCCC2)C1	2007747751	WRHSMLNCDIDPDK-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCC1CC(C[C@@](C)(N)CC2CCCCC2)C1	2007751358	ZFTFBDWTGBRPSO-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)CCC(F)F)c1	2008583599	VJRHEWQNLNZEMI-LLVKDONJSA-N	241.325	4.656	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)CC[C@@H]1CC(C)C	2009405445	ZASIPUAAFXSFSM-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@]1(N)C[C@@H](C)CC[C@H]1C(C)C	2009571821	JCCSKOYAJTVNNC-YLGZPNTESA-N	237.431	4.523	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CCC2(C)CC2)CC1	2009610951	UJTLHAIRNQGIRS-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@@H](C)CC[C@@H]1NCC	2009611928	PAADIGNUJUEQFX-CLTGJZPWSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H]1CCCC1(C)C	2009635641	PRXQIVAIGVECLL-IPKOWEFYSA-N	237.431	4.537	0	10	BJAE	
C=C=CCC[C@@H](NCCC)c1csc(C)c1C	2010995285	OFOJHPCRTILJBJ-OAHLLOKOSA-N	249.423	4.527	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CCCCCC12CC2	2011272392	RBUBYQSTCOPZAW-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)CCCCC[C@@H]1C[C@H](N)CC(C)(C)C1	2012058845	KKNUIXBBVPMFLR-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H](C)C1(C)CCCC1	2014370098	OXULDPXLGKNITR-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)CC1(O)CC(C(C)(C)C)C1	2014655061	IGSRFTSNXCWQLQ-HLIUYOAVSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(CCC1CCC(C)(N)CC1)C(C)C	2015360696	KVERDIPHAUPUGU-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](N)(CCC(C(C)C)C(C)C)C1CCC1	2015361021	OKZXBMWGFRMNAX-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CN(C)[C@H](C)CC(C)(C)C)CCC1	2015584329	HSYFCSZDURPZQW-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CC(C)C1(C[C@]2(O)CCCC(C)(C)C2)CCC1	2017113600	BJKCVDRINVCCTB-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC1(CCC[C@H](O)C2(C(C)(C)C)CCC2)CC1	2017158633	MKPYRCJCJYBOJS-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](C(C)=C(C)C)c1cc2ccccc2s1	2017485523	FTQTZPVNYHDWAH-OAHLLOKOSA-N	245.391	4.518	0	10	BJAE	
CCCN[C@@H](CC)CC1CCC(CCC)CC1	2017723179	JHGWDQHGAXJPES-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(C[C@](C)(N)CC(C)C)CC1	2017727918	FWSLDVRXLXEWIS-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC(CCC[C@@H](N)C2CC2)CC1	2017736238	XNZAFJYVFFWIGG-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCCN1[C@H]1C=CCCCCC1	2019124275	OHYIYMHNDPRLOQ-CVEARBPZSA-N	235.415	4.530	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC1CC(CC)C1	2019189189	HTYNQNSMBJSOJP-QQFBHYJXSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCCCCN1C[C@@H](C)CC(C)(C)C1	2019344606	PITKDTFOMYQJFU-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCCCN(CC(F)=C(C)C)C1CCCCC1	2020535453	HMQSMAPAYFBQBL-UHFFFAOYSA-N	241.394	4.685	0	10	BJAE	
CCCC[C@](C)(O)C[C@H]1C[C@@H]1C1CCCCC1	2022453439	GFPYTFLUBSSKHP-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@H](C[C@@H]1CCCC(C)(C)C1)NC	2024090717	AVZMJBBBLHDLKE-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC1CCCCC1	2026167966	WMAWVVUMKBXMAP-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H](C)Cc1csc(C(C2CC2)C2CC2)n1	2026531624	PGBHIMCRUBUCON-SNVBAGLBSA-N	249.423	4.635	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)C12CCC(CC1)C2	2027839117	FURUSACMHKBCEH-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)C[C@@H](C)c1ccccc1	2028233604	YFCKPUNYSVPHSY-OIISXLGYSA-N	248.410	4.613	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)c1cccc(C2CC2)c1	2028551110	CBCLFVYGWKPBFP-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CN[C@H](CCCCCC1CC1)C1CC2(CCC2)C1	2028630905	KMNQGQJMECGPGU-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CCCCCC1CC1)[C@@]12CCCC[C@H]1C2	2028643651	KTNCERBNRQHRHR-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
NC1(CCCC2CCC2)CC(C2CCCCC2)C1	2033779753	FHNQTTCJBAPNFJ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@H]1[C@@H](N[C@H]2C=CCCCCC2)CC[C@H]1C	2035427614	DTPUDITZEGBYFL-LTIDMASMSA-N	249.442	4.536	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@@]1(C)CC1(C)C	2035595742	YNRONDIXCAFTDT-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CC2(CC2)C1)C1CCCCCC1	2036755316	LEVPKNZKMGKNGK-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCC2=CCCCC2)CC[C@H]2CCCC[C@@H]21	2037174024	ZNJBHKNFLFGNED-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(N)C[C@@H]2CCCC[C@@H]2C1	2037175406	CWXGUKKVPMVGRU-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)c1ccccc1C1CC1	2037210152	RIZANNWKWWXYRP-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CCC1(C[C@@H]2c3ccccc3NC[C@@H]2C)CCC1	2037222924	GTUOTYXADZQACY-ZFWWWQNUSA-N	243.394	4.802	0	10	BJAE	
N[C@H](CCC1=CCCCC1)[C@@H]1CC12CCCCC2	2039082058	NUVDPSDJCRFVHK-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
Cc1ccc(C)c(C=Cc2nc3ccccc3o2)c1	2040458810	JHCPXFOOPCEIPX-UHFFFAOYSA-N	249.313	4.615	0	10	BJAE	
CC(C)NC[C@H]1C[C@]12CCCC1(CCCCC1)C2	2040764494	CYKPLUJDEMDKLF-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)C1CC2(CCC2)C1	2043547518	QUWXTCQKOMIGAR-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@H]1CCC=CCCC1	2045306654	BBSOOTAONJLWFG-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)C[C@@H]2CCC=CCCC2)C1	2045319406	DDDXQYMLERBIOG-CABCVRRESA-N	249.442	4.667	0	10	BJAE	
CC(C)(CCNC1CC1)C[C@@H]1CCC=CCCC1	2045329697	PZNXPKVMBWTVPG-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)[C@H]1CCCC(C)(C)C1	2045402615	ZWAYITJWQGGKOS-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@@H]1C(C)=CCC[C@H]1C	2045811203	UUNHLFONDORRLA-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(OC[C@H]2CC23CCCCC3)cc1C	2047056107	PPIOPTLCOVJERD-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC1C2CCCC1CCC2	2050041796	MMKSGUQSVYSQRK-UFFJXHMVSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1CC(CC2CC2)C1	2050216817	MTSCUMLECZJAJZ-GRAKBVBRSA-N	248.410	4.598	0	10	BJAE	
O=C(CC[C@@H]1C=CCCCC1)c1cccc(F)c1	2050495749	XNFKXACJDPCJSG-CYBMUJFWSA-N	246.325	4.535	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCC2)CCCCC1(C)C	2053395151	VRLPEAYSYLUALG-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)c1ccc(NC2CC(C3CC3)C2)cc1	2056687724	QWAVXZJFILXMKN-OLJMKKDRSA-N	243.394	4.801	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1cc(C)cc(F)c1	2059249183	FMQWCHKAGULYMV-MQDFFIGUSA-N	249.373	4.531	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CCC12CCC2	2059259204	MZUHFQXUDMSZBU-TVKHYIBRSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC(N[C@H]2CCCC3(CCCC3)C2)C1	2059392968	YUOLNDBAKWMLQT-PCKAHOCUSA-N	249.442	4.658	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2CCC3(CC3)C2)C1	2059492546	POMDXNFGCPDKJA-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CCc1c(C(F)(F)F)ccc(Cl)c1Cl	2060076987	VDJSSDPOFYMJKT-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@](C)(N)CC2CCC2)CC1	2061112697	IGTIIVONNBABAE-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@H]1CCCC(C)(C)C1	2061560465	GKINFMDREPBMQM-JKSUJKDBSA-N	249.442	4.692	0	10	BJAE	
C[C@H](CC1CCCCC1)NCC[C@]12CCC[C@@H]1C2	2061572817	UAHOVFOMSIINTG-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)CC[C@]12CCC[C@@H]1C2)C1CCCC1	2061604913	CMGJRZNNIXZDHX-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
CC(C)NC[C@@H](C)[C@H](C)CC1CC(=C2CCC2)C1	2061670004	ZYTCNCXZLDOJCL-ZIAGYGMSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)CC1CC(=C2CCC2)C1	2061684570	HWTOXNNGJAXEQU-CXAGYDPISA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CC1CC(=C2CC2)C1)NC	2061730695	LCVYWLGMPJAGDM-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
CCc1ccccc1N[C@@H](CC)c1occc1C	2063671021	HUVDTNMELJZZNF-AWEZNQCLSA-N	243.350	4.714	0	10	BJAE	
O=C(CCC12CCC(CC1)C2)CC1CCCCC1	2065279416	JPLXHPQCDWVQCL-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(N)(C1CCCC1)C1CCCC1	2065935783	OQQMLSDEXWBWGG-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H]2CCCC[C@@]23CCNC3)CCC1	2069342006	KTHGZXBHVBWNJM-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCc1cccc(C(=O)C2(C(C)(C)C)CCC2)c1	2071926319	NZXSEBBTTNCDBF-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)CC2=CCCCC2)CCC1	2071941669	WFBCYQOTIRNLLC-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)CC1CC2(C1)CC(C)(C)C2	2072085458	ZATLPVVYMHYSKO-TZMCWYRMSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C[C@H]1CC[C@H](C)CC1)[C@]1(C)CC=CCC1	2072793508	KQKSTLMHDGGXIX-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CC3CCC2CC3)CC1	2072805524	CTHACMWGHJSXSM-RXXRUYGPSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCN(C)Cc1cc(C)ccc1C	2074925773	SIDJXCGMAWUHJN-UHFFFAOYSA-N	247.426	4.562	0	10	BJAE	
C[C@H](C1CCC(C)(C)CC1)N(C)[C@@H]1C=CCCC1	2075084751	QHDRWUDJKLGVLD-GDBMZVCRSA-N	249.442	4.632	0	10	BJAE	
C[C@H](CN(C)[C@H](C)CC(C)(C)C)c1ccccc1	2075135938	IDAHUNICTYBSLE-HUUCEWRRSA-N	247.426	4.547	0	10	BJAE	
CC(C)(C)C1(C[C@H]2CCCNC23CCC3)CCC1	2076651529	VLFTXRDEUXCECL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1c(C)cccc1C	2077194551	JVBAOFVEGHCAKU-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@@H]1C[C@@H]1C1CCC1	2079330063	WFKNVDLJPHUATN-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)[C@H]1C[C@H]1C1CCCCC1	2079492848	TWBHOVMHKXYLAI-KBMXLJTQSA-N	246.394	4.518	0	10	BJAE	
N[C@H](C[C@H]1C[C@H]1C1CCCCCC1)C1CCCC1	2079626128	HKWKPJGMFRPBKV-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)c1ccccc1CC	2081220441	WUKSNLZBDZCVKE-AWEZNQCLSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)C=CCC(C)(C)C2)C1	2082977751	BEQFVTYQVDKQBR-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CCC1CC(CC(=O)c2cccc(C(C)C)c2)C1	2084988886	MAFAJYIXFQSPQP-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCC1CC(CC(=O)C[C@H]2CCC=CCCC2)C1	2084996666	XADMPXVSBNSKRM-PCKAHOCUSA-N	248.410	4.908	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1scc(C)c1C	2210568531	YRYDBOFFZKIOLQ-QWHCGFSZSA-N	240.412	4.615	0	10	BJAE	
N[C@H](CCCCC1CC1)C1CCCCCCC1	2214584914	SCGZPWFGRVFJTE-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CC[C@@H]1CC(=O)c1cc2ccccc2s1	2215058172	CEHDFOWZIGLKBH-WDEREUQCSA-N	244.359	4.520	0	10	BJAE	
CC[C@@H](C)[C@H](CCCCCCCC1CC1)NC	2216878737	FEMVMCMWIUZUCA-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](C)(CNC1CCC1)[C@@H](C)CCC(C)C	2217140210	IQCWLVMTAHENHW-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C(CCCN1CC[C@@H]2CCCC[C@@H]21)CCC1CC1	2218731279	JOQHVAHZBJDRIF-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](CCCCC1CC1)c1cccc(C)c1C	2220041649	QONMXJWZKIBWIU-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC[C@H]1C[C@H]1CCOc1cccc2ccccc12	2220964043	VBGFVHPSBKYPHB-DZGCQCFKSA-N	240.346	4.655	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CC1(C)CC(C)(C)C1	2221090828	QGYJJBNDKHWMRZ-UKRRQHHQSA-N	248.410	4.764	0	10	BJAE	
C(CCCC1CC1)CCCN1CCC[C@H]2CC[C@H]21	2223107625	ZDKGYAYUHYACHX-DLBZAZTESA-N	249.442	4.611	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CCC2CCCC2)C=CCC1	2223544901	FHHCAVCPDPQNRA-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CCCC1(C)CC1)N2	2224123080	AINRNJPNCLEOHL-OAHLLOKOSA-N	243.394	4.692	0	10	BJAE	
Cc1cc(C[C@H]2C=CCC2)cc2ccsc12	2243750786	LGSRAAJQMOAJKB-LBPRGKRZSA-N	228.360	4.718	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc(C)c(Cl)c1	2244776170	VQLXUGWGLBVZGE-NSHDSACASA-N	238.758	4.657	0	10	BJAE	
CCCC[C@H](CC)CNC[C@H](CC)CCC	2244797505	QLSWQLOQXQUOSO-CABCVRRESA-N	227.436	4.619	0	10	BJAE	
CC(C)CC[C@](C)(O)CC[C@H]1CCC[C@@H](C)C1	2246692211	KBGHGPFVWQWEKY-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(N)CCCCC[C@H]1C	2247162339	BFQNASWOWCZSOF-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C[C@H]1CCC1(C)C	2247372995	DMJFRAVOXJBJQD-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@H](CC)CCC	2250358897	AWAMSUCXWQVXRX-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@H](CC)CCC	2250358900	AWAMSUCXWQVXRX-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@@H](C)C(C)(C)C	2250531409	XRTJIWBCMHDTLP-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H]1[C@@H](CCC(C)(C)C)CCC1(C)C	2251713095	QNHYQONHGCCLEG-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1CC(CCC(=O)c2sccc2C2CC2)C1	2251760953	JZFIFOPRUURHNR-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2CCC3(CC3)C2)C1	2253921433	OBTIKVGUNZGKPC-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
Cc1ccc([C@@H](N)CC[C@@H]2CCC[C@@H](C)C2)cc1	2253932252	AWLLHXDLFKCWCM-VYDXJSESSA-N	245.410	4.601	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CC2CC3(CCCC3)C2)C1	2254110179	WENMADAWMCRNJL-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@H](N)CC2CC3(CCCC3)C2)C1	2254110710	WENMADAWMCRNJL-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(N)(CC[C@@H]1CCC[C@H](C)C1)C2	2254146441	NHWSZUVYHNTNHH-QWFZCGKBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@]1(N)CCCC2(CCC2)C1	2254585511	BJICEFPWDFZGNR-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C1CC2(C1)CC2(C)C	2254597744	XVTJLOBZJAFSBX-YRFCHQJDSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)CC1=CCCCC1	2255093606	ZSLNMDLPEHWPGD-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@H]1CCCC12CC2	2255229471	REQMDWVAUCKTQT-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1CC[C@H]1CCCC12CC2	2255267765	QMTVAXHHMOMYJY-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1NC1CCC(C)(C)CC1	2256142363	QVKKCWQUERUTGM-UHFFFAOYSA-N	249.373	4.769	0	10	BJAE	
CC(C)CCCCCO[C@H](C)c1cccc(N)c1	2257259895	HKZLOOUHQBQTAI-CQSZACIVSA-N	249.398	4.563	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1[C@H]2C=CC[C@H]1CC2	2259597762	HUAQCWRXBJPFHJ-ULQDDVLXSA-N	249.442	4.632	0	10	BJAE	
C1CCC(CCCNC[C@@]23CCCC[C@H]2CC3)C1	2260618332	IRNFFBXSDMUDBF-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccc(OC[C@]23CCC[C@@H]2CC3)cc1	2260648049	QVMZQHAMHJKDHY-NVXWUHKLSA-N	244.378	4.769	0	10	BJAE	
C[C@H]1CCC[C@H]1Nc1cccc(C2CCCC2)c1	2260717615	YWEWDZOTKZWZKR-SUMWQHHRSA-N	243.394	4.945	0	10	BJAE	
CC(C)(F)CC(=O)c1cccc(C2CCCC2)c1	2260737606	KNPPISHFFQGUAR-UHFFFAOYSA-N	248.341	4.665	0	10	BJAE	
C[C@@H](N[C@H]1CC(C)(C)CCC1(C)C)c1ccco1	2261386583	POHXCJLPESEXFS-OCCSQVGLSA-N	249.398	4.535	0	10	BJAE	
CCC(CC)CC[C@H](O)C12CCCC1CCC2	2300681853	SYEBSDUXZMPALI-PCKAHOCUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@H](N)CC=C(C)CCCC(C)C	2300875258	SRCWCCLYFDJWFP-HOCLYGCPSA-N	239.447	4.913	0	10	BJAE	
CC[C@@](N)(CC=C(C)CCCC(C)C)C1CC1	2300927926	ZPYXKSZFDNMWFS-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(O)C[C@H](C)C1CCCCC1	2301916376	BUFURYRWYSYXNM-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@H]1CCC(C)(C)C1	2302904534	JOXBFMQVYBMLGO-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)CN[C@H]1CC[C@@H]1C(C)(C)C	2303393824	VKYLPQMOELMLIL-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)CC1CCCCC1	2303397226	RTQSYFJWJYFKLM-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@H]1CC[C@@H]1C(C)(C)C	2303445659	SGQLQSMYRKHNQM-XUXIUFHCSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)(CC)NC[C@@H]1CC[C@@H]1C(C)(C)C	2303462168	PJLOWDRFGAHDQJ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@H](C)CC(C)C)CC1	2303574652	BHGPJSGARVEDLE-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1C[C@@H]1COc1ccc2ccccc2c1Cl	2307641065	WVLHPTJNZNZFBS-ZYHUDNBSSA-N	246.737	4.528	0	10	BJAE	
CCC[C@H](CC)CN(C)c1ccc(CC)cc1	2307760652	JUBLTROHSJUFSF-HNNXBMFYSA-N	233.399	4.512	0	10	BJAE	
CCC[C@H](CC)CC(O)(CC1CC1)CC1CC1	2307846921	WDBDCBJTLNRSSG-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1CC12CCCCC2	2307899259	BIGNEWCLWZGYMH-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCCCCC[C@@H]1N	2307900301	FNLNRIWLOOFGNJ-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
CCCC1([C@@H](C[C@@]23CCCC[C@@H]2C3)NCC)CC1	2311148172	RQIQFXDXTQKBCE-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H]1CC12CCCC2	2316510069	SFKMNPSDVRRKPY-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC1=CC[C@H](CC=C(C)CCCC(C)C)[C@H]1N	2316535580	ICSOINAITWGHML-IRXDYDNUSA-N	249.442	4.833	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1CCC[C@H]2CCCC[C@H]21	2316536588	MPKSDYNHRREGKF-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316691280	VSJMRKWMXUONDK-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316879864	HFNDLIYHDKXUTO-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N1CC[C@@H](C)c2ccccc21	2318002470	XPRATYSEUYDMKT-RBSFLKMASA-N	245.410	4.681	0	10	BJAE	
N[C@H](CCCCC1=CCCCC1)CC1CCCC1	2318575262	COUGACLHPZOIJV-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCCC[C@@H]3C[C@@H]32)CC1	2319329006	LEXVADBQDMEEHL-SFOJROILSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)=C(C)C1)C1CCCC1	2320412641	KJCBENGFDXAGPW-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CC=C2CCN[C@@H]2C(C)(C)C)C1	2321637228	PZDJSEUJXRLCEY-HIFRSBDPSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](NCC)c1cc(C)ccc1C(C)C	2327682735	RXOJIRVITBCSHB-KRWDZBQOSA-N	247.426	4.959	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@H]2C=CCCC2)c1	2327793281	AMHBQCZFJCANAY-AWEZNQCLSA-N	242.362	4.657	0	10	BJAE	
Cc1ccc([C@@H](c2ccc(C)s2)C(C)C)o1	5417639	VCHGFWTZVUVYAW-AWEZNQCLSA-N	234.364	4.746	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(C)c(F)c1	20006823	VXHXWZPYKSRQIG-LBPRGKRZSA-N	223.335	4.515	0	10	BJAE	
CCCCC(=O)c1ccc([C@@H](C)CC)cc1	36159793	UWPAEASACJYNEH-LBPRGKRZSA-N	218.340	4.573	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)c1sccc1C	42729287	QDNLMFNWKNLDGR-STQMWFEESA-N	239.428	4.533	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(O)CCC(C)(C)CC1	79657237	MIGZQQMFHBXVMJ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CCC[C@H]2C)cc1	86671561	YIUUTBLEKGYEQF-CZUORRHYSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@@H](CC)CC1=C[C@@H](N)CC(C)(C)C1	87322954	ZTAWMAOBBVCTPF-UKRRQHHQSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H](C)c1ccc(CCCCNC(C)C)cc1	87730126	IPOTTXQRHKXIOT-OAHLLOKOSA-N	247.426	4.521	0	10	BJAE	
CCC[C@H](C)CC(C)(C)CCNC(C)(C)C	87957547	QMTNRPSWTGAWSO-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](O)c1cc2cccc([C@@H](C)CC)c2o1	88072405	HNFZRVGMKFNXOY-FZMZJTMJSA-N	246.350	4.780	0	10	BJAE	
CC(C)(C)CC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N	109665602	ODUJASRDIYEZAK-IHRRRGAJSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)c1cccc(C(F)(F)F)c1Cl	114621873	BTWGLJPDKZDCIX-UHFFFAOYSA-N	236.664	4.656	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1cc2ccccc2o1	128095678	JYUCCGZKLBGNIC-MLGOLLRUSA-N	245.366	4.649	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CCCCC[C@@H]1CN	131907917	DQEVDNSJSFEZGB-BZUAXINKSA-N	239.447	4.748	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2CC[C@H](C)C2)n1	132213712	AEWZMFNVHUKXTP-DCAQKATOSA-N	223.385	4.560	0	10	BJAE	
Cc1ccc([C@@H](C)CCCC(C)C)cc1	136351301	GVCHCLNHTASCCP-AWEZNQCLSA-N	204.357	4.925	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C1CCCCCC1	165891162	RLEUYZNNRIBYBB-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H](C)CCC	168020099	KQMHEBJTKWGVQB-STQMWFEESA-N	212.377	4.598	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](O)CC1CCCCC1	168803800	NJSWYXBUPAWGOX-DLBZAZTESA-N	246.394	4.512	0	10	BJAE	
CCCCC1CCC([C@@H](NC)[C@@H](C)CC)CC1	228812787	ZWHUOIHXEALXAV-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc2[nH]cc(C3CCCCCC3)c2c1	235989044	IGBZPDSPEZQORH-UHFFFAOYSA-N	227.351	4.914	0	10	BJAE	
CC(C)c1ccc2c(c1O)[C@H](C)CC[C@H]2C	238215371	FDEBBEJQTDJECQ-GHMZBOCLSA-N	218.340	4.516	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCCC[C@H]1CC	252416078	SBTPZKXQBQETJJ-XHSDSOJGSA-N	239.447	4.904	0	10	BJAE	
CCC(CC)c1ccc(C[C@H](C)C#N)cc1Cl	260527467	HKZUGZINENTOTA-NSHDSACASA-N	249.785	4.946	0	10	BJAE	
Cc1cccc(-c2c(C)cccc2Cl)c1F	300887866	BAGARXSXPDOWLQ-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@H](C)CC(C)C	301011638	YXEUOBSKLREPAI-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C)[C@@H](C[C@H](C)CC(C)C)C(C)C	302285641	FRPHDRUUQWQSNG-OAGGEKHMSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H]1CCCC[C@H]1CCC1CCCCC1	305895084	DDGNGJHTWCQLCS-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(CCC1CCCCC1)c1ccccc1	305897374	PLLMNLCMUWFWGV-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)CC(C)C)C1CCCC1	305908559	DPAJWNZNOAOXGF-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CSc1cc(Cl)cc2scc(Cl)c12	307279073	WBXSZUGCKNMSFZ-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
Cc1csc2ccc(Cl)c(C(F)F)c12	307378016	WNYGKWPOEHFFDR-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCc1cc(Cl)cc2cc(Cl)sc12	307432249	XYJFLXBWHHUWFB-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CC[C@H](CC(C)C)c1nc2c([nH]1)C[C@H](C)C[C@@H]2C	308085099	FOPPUYNSONHIEW-FRRDWIJNSA-N	248.414	4.635	0	10	BJAE	
CCN[C@@H](c1ccccc1C)[C@H](CC)CC(C)C	308106056	VUDYXCMGUQUQDU-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CC1(CNc2ccccc2C(C)(C)C)CCC1	310188576	YEEMXUCNHBGCKK-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CC[C@@H](C)[C@H](C)Oc1cc(C)c(N)cc1C(C)C	318835049	CNKKITYJWAPNFW-YPMHNXCESA-N	249.398	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@H](C)[C@@H](C)CC)CC1	318864985	JEGNMUBBNXBWMU-ZJIFWQFVSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)CCC[C@H](C(C)C)CC1	319608997	MBUGEXMPDZUBJM-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CCCCc1ccc(N[C@H](CC)[C@@H]2C[C@@H]2C)cc1	322223795	XUSRVJBQBJIFTA-IAOVAPTHSA-N	245.410	4.876	0	10	BJAE	
CCC[C@](O)(C[C@H]1CCC[C@H](C)C1)C1CCC1	322864289	UVCUWOJSJOYCRU-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
Cc1ccsc1-c1ccccc1C(F)(F)F	380470460	GLDKYQGFDKTWOH-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H]1CCCC1(C)C	383295352	RRUNXBXOWGRGHM-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2CCC[C@@H](C)C2)CCCC1	383981089	ZYKJMLVEPADKDH-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](N[C@H](C)CC(C)(C)C)c1ccc(C)cc1	384889932	LJCHIEASKBZYHR-ZBFHGGJFSA-N	247.426	4.860	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCCC[C@@H]1C	384977917	JEFZCSGPUDDRGD-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)c1ccc(C)o1	385949000	XHBISSQZYZRDLB-OAHLLOKOSA-N	247.382	4.519	0	10	BJAE	
Cc1ccc([C@H](O)CCC2=CCCCC2)c(C)c1	386298085	QSKKZESVGMPWFP-QGZVFWFLSA-N	244.378	4.617	0	10	BJAE	
CCN[C@@H](CC(C)C)c1ccc2sccc2c1	386379466	DDXMTAWWWSAOIC-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CCCC[C@H](NCCC)c1csc(Cl)c1	393912887	WDGMXQJWESOXLK-NSHDSACASA-N	245.819	4.632	0	10	BJAE	
CCOc1cc2c(Cl)csc2cc1CC	396191676	PQUDTFMEIZBBJX-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
COc1cc2c(C(F)F)cc(Cl)cc2s1	396288465	HQEPZYUPXLICBN-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
Cc1ccc(C(=O)CCC(C)(C)C2CC2)cc1F	405778117	LPDCTJXUAJLGAW-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC1(/C=C(/CNC(C)(C)C)C2CCCCC2)CC1	687312550	IMVADGOFEVUZDC-QINSGFPZSA-N	249.442	4.681	0	10	BJAE	
c1cc(NCC2CCCCC2)cc(C2CC2)c1	690158114	FJPQXOMZLNBLRQ-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCC12CCCC2	694399887	AOGJHCQZFQHQLK-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CCC12CCCC2	694472414	GWVXRMVJJQHLRK-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCC2(CC2)C1)C1CCCC1	695717168	ONGIZKBBWYKZIY-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H](C)C(C)(C)C	697815964	LMKDZPHTESAIMR-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CC[C@H](C)[C@H](C(=O)C(C)(C)CC)c1ccccc1	701330559	ZWHSDMPEDNCHBS-ZFWWWQNUSA-N	246.394	4.822	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@@H]1C[C@@H]1CC	701453573	AFOAFEYBDCSHEU-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CCCC(C)(C)C	709238704	VFRODPMBPZZQDR-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCC2(CC2)C1	709977149	LIEYDWAOWCMLQB-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1	710206013	QADWSFIPYOJZRB-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCC(C)(C)CC1)C(C)(C)C	710752724	JONQGEVVGCUQQJ-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)C12CCC(CC1)C2	710935022	DAUHVPNXUXHBRG-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C[C@H](O)c1ccsc1C)C(C)(C)C	711182520	XUXGNANQLRIVKI-YPMHNXCESA-N	240.412	4.552	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C[C@@H]2CCCC[C@H]21	712446631	WMQOTSLBUJCZJP-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CCC1	714476255	QUASVHIWWSNLKX-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CCC(C)(C)CC2=O)C1	717530905	HEUUYEUPOLLMOW-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)c1occc1C	718526931	NIBMFZCDLADOKE-OAHLLOKOSA-N	249.398	4.765	0	10	BJAE	
CCC(CC)[C@@]1(CNC2CC2)CCC=CCCC1	719000726	XIUVJIVNJUOKFC-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC1CCCCC1	720975869	CIMDIYJPBCKRPO-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H](N)c1c(C)sc(C)c1C	722484190	QBCQWOMTUCLCNJ-CYBMUJFWSA-N	239.428	4.644	0	10	BJAE	
CCC[C@H]1CCc2[nH]c3c(CC)cccc3c2C1	822185543	MQHSAIUUNCLLRU-LBPRGKRZSA-N	241.378	4.635	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@@H]2CCC=CCCC2)CC1	1308547546	MKTFTCYHCHJVHA-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
C/C(=C\Cl)CSC[C@@H](C)CC(C)(C)C	1559403510	TZIAXQSBTXCVMD-VUBLIPMDSA-N	234.836	4.935	0	10	BJAE	
CC[C@H]1CCC[C@H](CNCC2CCC=CCC2)C1	1658045927	ZDHJYEZQFPDSEC-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)N(Cc1ccccc1)CC(C)(C)C	1880410111	YNEUMZZTNLUWKY-UHFFFAOYSA-N	247.426	4.723	0	10	BJAE	
CCC(C)=CCC(=O)c1sc(C)c(C)c1C	1900844561	FMJZZPKRMIXSLH-UHFFFAOYSA-N	236.380	4.602	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)CC=C(C)CC	1900872290	VVJDGIRRWMKTTP-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](C)CC(=O)CCCC1=CCCCC1	1901969942	FHZZXVNKEXNARC-ZDUSSCGKSA-N	222.372	4.662	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)c1ccc(C)s1	1905442464	DHOBDZOYTQJHSI-CHWSQXEVSA-N	239.428	4.533	0	10	BJAE	
CCCCCN(C[C@@H]1C[C@H]1C(C)(C)C)C(C)C	1910866278	NOAPDUSGMGBTGF-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
C=CC=CCC[C@@H]1CC(C)(C)CC[C@H]1CNCC	1912084388	HTOIAHPEZHWVPV-CVEARBPZSA-N	249.442	4.561	0	10	BJAE	
C[C@H]([C@H](O)CCC=Cc1ccccc1)C(C)(C)C	1912123105	XHGCTBRXSISFLN-GDBMZVCRSA-N	246.394	4.523	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CCCCC2)C1)[C@@H]1CC1(C)C	1915854252	GTNHTLJYIPFVPJ-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC2(CCCC2)C1)C1CCCC1	1916400292	OSQNYWWBKRCCMB-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCC3(CCCC3)C2)[C@H]1C	1916440906	FQEQCCOHHJKWQP-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](N[C@H]1CCC2(CCCC2)C1)C1CCC1	1916446370	XWLCMZVELNTXTH-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CC(C)CCC[C@]1(CNC(C)C)C=CCCC1	1916581243	VSLXYRPMFQSLTR-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@](C)(N)c1ccc(C(C)C)cc1	1920438362	PBZGBCLXGDYALX-KRWDZBQOSA-N	247.426	4.810	0	10	BJAE	
CCC[C@@H](C)[C@@](C)(N)c1ccc(C(C)(C)C)cc1	1920460362	IQFODDNHFOJBBC-CXAGYDPISA-N	247.426	4.594	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC[C@@H]1CC1(C)C	1921561235	GDQKEGWFAJUZII-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@](C)(N)CC1CCCCC1	1921564114	QKCIBBLGNMYCJE-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
NC[C@@H]1CCC2(CCC2)[C@@H]1CCC1CCCCC1	1924787213	CACYFNCHPZRKFU-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
CC(C)(CC(=O)C[C@@H]1C=CCCCC1)C1CC1	1925778970	XHQGUQFWZKCQQS-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H](C[C@@H]2C=CCCCC2)C1	1925888256	FUEJWKOYEWQSSA-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](CCC[C@@H]1C=CCCCC1)NCC	1925943800	BFLFJACNIKSWPJ-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H]2C=CCCC2)C1	1932605649	XZKHSNQQOVLUFA-QLFBSQMISA-N	206.373	4.949	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC1(C)CCCCC1	1935620678	OKVMQXRUERCFLP-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CCC)NCc1cscc1C	1936351426	YRRCBPBEZCXDJV-CQSZACIVSA-N	239.428	4.505	0	10	BJAE	
C[C@H]1C[C@@](N)(CC2(C)CCCCC2)CC[C@H]1C	1940407182	OVZKGNHOEMKZGY-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](O)(CC1(C)CCCCC1)[C@@H]1CC1(C)C	1940408274	SRQXGIRCYYBAJV-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@H](O)CC[C@H]1CC1(C)C	1940863969	QJBSBIYYIGIGNT-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)CCC[C@@H]1CC1(C)C	1940880381	ILEQTMHVRIASLY-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@]1(CNCCC)CC=CC[C@@H]1C	1940954926	YGDHNZUTIDRWIO-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CCC(C)(C)C1CC1	1941266512	GNFUIMCPEIWEMR-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@H](NCC)[C@H](CC(C)C)C(C)C	1941268051	ZZSQFNXNZLFWKC-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CC1CCC(C)(C)CC1	1941269380	PRIUKAJZCOOQGM-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C(C)(C)C(C)C	1944665094	FDLBTNNTMXZLPM-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1CCC[C@H]1C)NCCC	1944847640	YBNFGDBGEPOWOM-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@]1(O)CCCC(C)(C)CC1	1944870977	XYURSITUYPXOBC-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CCCCC12CCC2	1947900124	LKLBFSLHYUNDTA-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1CC12CCCC2	1948073450	ZNDFFWINYQROQZ-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C(=O)[C@H]1CCC(C)(C)C1)C1CCCCC1	1949499532	UWQOUIDIQNJIMI-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](N)[C@@H]1CCC2(CCCC2)C1	1949552262	QASYHUASTCVVSI-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC=CC[C@@H](CC)c1ccc(OC)c(C)c1C	1951309167	VZUIQQOAGWXXHY-CQSZACIVSA-N	232.367	4.772	0	10	BJAE	
CCC[C@H](C)c1nc([C@@H](C)CC)cs1	1956204496	TZAYOGXOEBOMFM-UWVGGRQHSA-N	211.374	4.560	0	10	BJAE	
CCC1(CC)CCN1Cc1ccccc1C(C)C	1966577884	WVPJOVDAGMCPHT-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CC(C)c1cccc(COc2cccc(F)c2)c1	1968276086	VIECUGSSKHOFMA-UHFFFAOYSA-N	244.309	4.528	0	10	BJAE	
CCCCC[C@H]1CCCCCC[C@@H]1NCC	1980336866	OGDCYXDFSGYYPK-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C(C)(C)CCC	1984639076	HOZSPANNBSBEJA-VIIAAUOXSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C)CC(C)(C)C	1986940720	ZLYZSCUCHCULAP-KGLIPLIRSA-N	227.436	4.616	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@@H](C)CC(C)C	1986944114	OUYANZGHWJMFBV-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](CNc1cc(F)cc(Cl)c1)C(C)C	1988765871	XOBHFVZMKNLOFD-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@H](C)CC(C)(C)C	1989859091	UUYQJOFHGGOGQF-DOMZBBRYSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](CC[C@H]1CC[C@@H](C)C1)NCCC	1996259348	GROZHTODIDERAY-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@H]1CCC[C@@H](C)C1	1996548609	RSRKDEHSOWIAPM-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)CCC2CCC2)CC1	1996594383	LUXDARJQULWYBW-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
Cc1csc(CNc2ccccc2C(C)C)c1	1996649176	LPLFYRNQXGOXAA-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CC(C)CCCCN[C@]1(C)CCCCC1(C)C	1997426746	QBGDSQGRGGTFTM-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](O)CC2CCCC2)C1	2000034991	VXZTTZFXUPKLQZ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)C1(C)CCCCCC1	2000318709	DYAJXUOTJWFINX-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@@H]1CCC[C@@H](C)C1	2000504033	DEHCTFLPOGBJNT-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)C[C@@H]1C=CCC1	2000506169	YTKHFRGZHBBHIK-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](C)(CCCC1CC1)CNCC(C)C	2000514812	OBXMLHFZFPEPQT-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H]1CC12CCCCC2	2001259496	OFKWJAGNGGWDMN-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1[C@H]2CCCCC[C@H]12	2002228395	PGFXFWVIUNTEJH-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCC1CC(C(=O)[C@H]2CCCC(C)(C)CC2)C1	2002323117	WZUUIADTWFOEKN-MOKVOYLWSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@@](C)(O)CC2(C)CC2)CC1	2002925234	OCHKISZBZZVDHG-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(O)CCCC2CC2)C1	2003021955	RSMGVGJUWAUBSQ-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC1(N)CCCCCCCC1	2003097618	HFCFUKYKWMJCTG-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](CC1CCCC1)Nc1ccc(CF)cc1	2007022755	BAFRKDQYDWREEY-LBPRGKRZSA-N	235.346	4.537	0	10	BJAE	
CCC1CC(C[C@](C)(N)C2(C)CCCCC2)C1	2007750219	TUZTWAZMZFJCLC-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCC1CC(CNc2cccc(C(C)C)c2)C1	2007798296	LDTNPNMZVLLHTQ-UHFFFAOYSA-N	231.383	4.658	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@@H](C)C1CCCCC1	2007854773	HJLANBOSHZPDDI-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@H](O)C=C1CCCCC1)CC(C)(C)C	2007924117	XUFBBQBZOAJJQU-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
CCC1(C)CCC(O)(C=C2CCCCC2)CC1	2007928677	ZRSZMJAUFYARND-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](C)(CCC1(C)CC1)CNC(C)C	2009544163	NBYJLBUCZBKSTG-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCCC(=O)[C@@]12CCCC[C@H]1CCC2	2009567087	MEQATSJVXMPKNN-OZRQEOMLSA-N	234.383	4.662	0	10	BJAE	
CC=CCCCc1ccc([C@H]2CC2(F)F)cc1	2009589668	BORLMIPZMSGDHG-CQSZACIVSA-N	236.305	4.708	0	10	BJAE	
CC=CCCC[C@]1(CNC)CCCC(C)(C)C1	2009620964	ZOOKKHWGYBTEMA-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC[C@](O)(CC[C@@]12CCC[C@H]1C2)C(C)(C)C	2010968319	NJWJNFKDQIRAMQ-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](CNC(C)C)(CC1(C)CCC1)C(C)C	2012416788	NNUZNAXOXANKAG-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC1CCC=CCC1	2013270929	NGPFXIIYWVOQNW-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1CCCC2(CC2)C1	2013540248	FDJUTZSFSNIRMN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C[C@H](C)C(C)C	2015277831	JTZNOLVPDNOBCH-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@H](N)CCC(C(C)C)C(C)C	2015346967	LGQYSSQQBDNZFO-HNNXBMFYSA-N	241.463	4.993	0	10	BJAE	
CN[C@@H](CCC(C(C)C)C(C)C)CC(C)(C)C	2015355806	CFWHXNRKTFONJS-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1(CC2CC2)CC1	2015749980	HMZOBDMZCCPLGK-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@H](NC)C1(C(C)(C)C)CCC1	2017137349	VSKRKIIQXBBBFU-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](NC)C(C)=C(C)C)CC1	2017654551	FJVZNLXZJKDKLB-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@@H]1CC12CCCCC2	2017705416	IIFOISBQCCPNKF-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(N)c1cccc2sccc12	2017809195	WWUVJRMBDWNYGE-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CCC(C)(C)[C@](C)(N)c1csc2ccccc12	2017809584	ZZJXZFRQLLLKQS-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@]1(C)CC=CCC1	2018132123	RKCHJDFBICHNDP-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCNC2(CCCC2)C1	2018655688	NNTMJXPZIGRDSP-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@]1(C)NCCCC1CCCCC1	2020585764	VRNHYFNFHLAANO-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccccc1C1CC1	2021026854	HQKZLMASNSSEHW-AWEZNQCLSA-N	229.367	4.555	0	10	BJAE	
CC=CCCCC(=O)[C@H]1C[C@@H]1C1CCCCC1	2022414087	ZILOEIZGJZNGLN-CABCVRRESA-N	234.383	4.518	0	10	BJAE	
CCC[C@H]1C[C@@H]1CCC(=O)CC1CCCCC1	2022554577	PMHHOUNFSZSZGL-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H]1[C@@H](C)CCC[C@H]1CCC(C)(C)CC	2024002624	AFYODIMNICBFOM-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C)[C@@H]1CCC(C)(C)CC	2024512031	ALXOOIYDXFADDQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(CN2CCC[C@H]3CCCC[C@H]32)CCCCC1	2027276848	WRJKAXZQTZGZLN-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc(C2(C)CC2)cc1	2028605051	LABPPDDBNVIBMD-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCCCC1(Nc2ccc3ccccc3c2)CC1	2029489728	QAEKXQBNHPJPDF-UHFFFAOYSA-N	239.362	4.975	0	10	BJAE	
CCCc1ccccc1[C@@H](O)[C@H](C)CCC(C)C	2029822596	BXLINWQSJKVNEW-PBHICJAKSA-N	248.410	4.745	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H]1CC(C)(C)CC2(CC2)C1	2030289299	XDKDSYVTVOHSLU-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CCC1(CNC[C@@]23CCCC[C@@H]2CCC3)CCC1	2031806203	WJRICECGNKHHQB-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CCCCCCNCc1cccc(C2CCC2)c1	2031915492	OBVWCPQAHOAWEH-UHFFFAOYSA-N	245.410	4.624	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@H]1CC12CCC2	2032131911	MNDQCORVTGOFDS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@@H]1C)c1ccccc1	2032512393	AODMDPQVSAWZBI-YQQAZPJKSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2[C@H]3CCCC[C@H]23)CC1	2032817440	ULZDKFRPAPGOTK-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC[C@@H]1C[C@@H]2CCCC[C@@H]2C1=O)C1CC1	2034256438	ATGNRAGMGMQNBR-GUTXKFCHSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@H]1N[C@@H](C)c1ccc(C)cc1	2035425383	SKAMKCMOKFWQQO-BHYGNILZSA-N	245.410	4.614	0	10	BJAE	
Fc1c(C[C@@H]2C=CCCC2)ccc2ccccc12	2035556638	RCYFAEFIVDZLHL-CYBMUJFWSA-N	240.321	4.878	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C[C@H]1C=CCC1	2035575942	LNDJDMOMEJHWRZ-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@H](N)c2ccccc2C2CC2)CCCC1	2037104406	LYQBHIZYUIJMTM-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2CC=CCC2)CC1	2037165429	DXEBRELUWMSQCK-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)[C@@H]1CCC2(CCCC2)C1	2037594775	TUKCVIOWNVZRGE-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC2=CCCC2)CCC1(C)C	2037871922	SQEAGFQXNFEXLY-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C1CCC(CCCNC2C[C@@H]3CCC[C@H]3C2)CC1	2038615234	RXIOQKKCRKUUSX-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@]1(N)CC12CCCCC2)C1CCCCC1	2039010470	ZAYVUWQPNFBCQK-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(F)c1NC[C@@H]1CC12CCCCC2	2039050584	JBPOMAOVRXBYNC-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@]1(CNC(C)(C)C)CC=CCC1	2042095035	WXRAOYHEQNQGPE-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@@H](C)C1CC2(CCC2)C1)C1CCCCC1	2043548438	YLBIUZPBUQRKAC-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](N2CC=CCC23CCCCC3)C1	2045522869	SLSRHXJQJMMCFR-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@H]1C(C)=CCC[C@@H]1C	2045750627	WNEJLOKEHCLYTK-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@@H](N[C@@H]2CCCCC23CCCCC3)CCC1	2047595315	ILBQLLNZZGFKEL-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2[C@H]3CCCCC[C@H]23)C1	2048368596	AYZUQUPSPRZJFH-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2CCCC3(CC3)C2)CC1	2049854214	IZFNHTPRRQRKCW-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1CCC(C)CC1)[C@]1(C)C=CCC1	2050009484	YMBSGIPVXMREDW-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1cc(C)ccc1C	2051410042	XDAQMDHNKFAAIT-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CC1(CN[C@H]2CCCC23CC3)CCCCCCC1	2052500151	DZDKBPMBLUIUTR-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C1=CC[C@H](CC)CC1	2061082347	VCTBXFDETAPRNX-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)[C@H]2CCCC[C@H]2C)CC1	2061089100	QWGAOZYZIHSHIJ-JHNDHUHGSA-N	249.442	4.523	0	10	BJAE	
CC(C)CC[C@](N)(C1=CCC(C)(C)CC1)C1CC1	2061112114	CGZHWTZURFKVHC-QGZVFWFLSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C1CC(=C2CCC2)C1)C(C)(C)CC	2061731552	UTIKMPDLTYPTIT-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1C1(N)CCC2(CCCCCC2)CC1	2065892787	QDFVFYUBKHEMLR-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)c1ccccc1C	2070399347	QIJIOWAAIOUZJP-CVEARBPZSA-N	245.410	4.781	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@]12CCC[C@H]1C2	2070925913	KCKGHNFPIUDWNC-VYDXJSESSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](C[C@H]1C[C@@H]1C)c1cccc(C(C)C)c1	2071505505	PKWMZQVRDMZEDO-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2=C[C@H](N)C[C@@H](C)C2)CC1	2072816468	VSTYBQDAJXSUQU-QBYUYEEZSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@H](CC)NC1C[C@@H]2CC=CC[C@H]2C1	2073341547	KUIGLGCXVLUJIE-JYJNAYRXSA-N	249.442	4.680	0	10	BJAE	
CCC1(C[C@@]2(CNC(C)C)CCC23CCC3)CC1	2074624789	UZOJJZCYFKQRDJ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@@H]2CCC3(CC3)C2)CC1	2074647295	VZNKKLFATJINRV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@]1([C@H]2C=CCCCC2)CC[C@@H](C)C1	2075362880	NIXBEHRRUDEZHI-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CN(C1CCC2(CCC2)CC1)[C@H]1C=CCCCC1	2075408941	BVBZHTXTXHWDMH-HNNXBMFYSA-N	247.426	4.530	0	10	BJAE	
CC1(C)CCCC[C@@H]1Nc1ccccc1C1CC1	2077264743	ZFRWKRWBZNAHAZ-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)[C@H]1C[C@@H]1CC	2079223157	ZRZSWAUZPSIZOB-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1C[C@@H]1C1CCC1	2079388161	CNVARDMYZMXEFP-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC[C@@H](NCC)c1ccccc1	2079662334	UUNKCZISFDTCFS-IXDOHACOSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@H]2C[C@@H]2C2CCCC2)C1	2079852483	QSQCPYCAFXMEAH-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCC2)CCCC(C)(C)CC1	2081681723	DQELHXFSRMKXKL-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H]2C[C@@H]2C2CCCC2)C1	2084987967	FNERJXOZLJKPCZ-KWVKFQHESA-N	248.410	4.598	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@H](C)C1	2212630883	HVFMCHILLCNQQN-GXFFZTMASA-N	237.774	4.503	0	10	BJAE	
C[C@H](C1CCC1)[C@@H](N)CCCCCCC1CC1	2213572774	AEMPXWQIWXMFTJ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@@H](O)CCCCCCC1CC1	2213575808	JKYDKNYJZPTQPJ-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC1CC(C[C@H](O)CCCCCCC2CC2)C1	2213583479	SKGLDBPQZBLAOR-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)c2sc(C)cc2C)CC1	2215808988	ZQLDJYATQMACQS-OAHLLOKOSA-N	248.391	4.684	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CCC[C@@H](C(C)(C)C)C1	2216253982	WMQUUUYVLKOWOF-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CCCCC(F)F)CC(CC)CC	2216423129	AKJLESGATCHOAA-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC(C)[C@H](CN)CCCCCCCCC1CC1	2216903437	YXAICVNSSDESHU-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
CCC(CC)CC1(CN[C@H](C)CC)CC(C)C1	2217123695	ANGBMEZAXMHJKH-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218321496	FDQRJJXFCVKKOQ-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CNCC12CCC2	2218727295	RITRAEBMWUHPEW-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
NC1(CCC2=CCCCC2)CCC(C2CC2)CC1	2218889994	XHKHGTYVTKPJLP-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C(=C/c1ccccc1)\Cc1cccc(C2CC2)c1	2219074442	RPOBDYNYZYQMCQ-XBXARRHUSA-N	234.342	4.820	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)C/C=C/c1ccccc1	2219082876	AFYGEQLJUWKPLO-MIJBNRBISA-N	245.410	4.634	0	10	BJAE	
C1CCCCC(NC[C@H]2C[C@H]3C[C@@H]2C3)CCCC1	2220032213	CJCPCZSSPGTVFD-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)CC[C@H]1C[C@H]1C	2220963520	SUVVWSFFYGCLBL-KGLIPLIRSA-N	244.378	4.504	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2C[C@@H]3CC[C@H]3C2)CC1	2221644254	GACDWDMHWDBSMG-ZOBUZTSGSA-N	246.394	4.518	0	10	BJAE	
CCCNC[C@]1(C2CCCCC2)CC=C(C)CC1	2221663055	JQXDESNYIYWUBM-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)c1ccc2occc2c1	2224147300	RWJYXGZLVMAVNA-CQSZACIVSA-N	245.366	4.520	0	10	BJAE	
CCCCCC[C@H](NC)c1ccc2occc2c1	2224175398	AUAFPLRDMHUAGY-HNNXBMFYSA-N	245.366	4.664	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1cccc2ccoc12	2224196971	YJRVJIPEKBDLBR-WFASDCNBSA-N	246.350	4.539	0	10	BJAE	
Cc1cccc2cc(C/C=C/c3ccccc3)oc12	2226211578	XFAFCOXCEBRUBY-UXBLZVDNSA-N	248.325	4.997	0	10	BJAE	
CC[C@@H](CCN)CC[C@@H](C)CCCC(C)C	2244868944	TUTUPKNEGOREDT-LSDHHAIUSA-N	227.436	4.604	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1(C)CC(C)C1)NCC	2246453137	AYZQDWNBTSTOAD-FYRZTWFESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1(C)CC(C)C1)CC(C)C	2246520266	TZHXRLWQBRCVTO-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)CC[C@@H]1CCC[C@@H](C)C1	2246724693	FRIPXWLNSNHPEZ-PMPSAXMXSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)NCC[C@@H]1CCCC12CC2	2247603962	YCNGIYANIUIWFJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@H]1CC1(C)C	2248812529	AOPMXQAUCLEZRH-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CCCCC[C@H]1C[C@H]1C)C(C)(C)C	2248870207	LNOCVTNIDXWTFT-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)CNCCCCC[C@H]1C[C@H]1C	2248880139	QNKMBVCUUKQFHL-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](O)[C@@H](C)C1CC1	2250476139	NLGDDSKMOGQPCJ-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@]12CCC[C@H]1CC2	2251182650	WACZKJRHGHXNMQ-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@@]12CCCC[C@@H]1CC2	2251226696	YPELITOCVWECQN-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2CCCCC23CC3)C1	2253780320	FYKCWXQWIQOFBP-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C[C@@H]2CCC23CCC3)C1	2255012418	ZDQVFKACYRQQTH-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1)[C@H](CC)CCC	2259441018	BOXFADDAOYNGDK-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@]12CCCC[C@H]1CC2	2260513672	VWBNHRROEAZYJN-DOTOQJQBSA-N	246.394	4.662	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@]12CCC[C@H]1CC2	2260572401	AWYONGGIOGTRLS-YOEHRIQHSA-N	242.362	4.538	0	10	BJAE	
CCC(CC)CCN(C)CC(CC)(CC)CC	2300684791	XVWBAQHHJJHJDF-UHFFFAOYSA-N	241.463	4.961	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCC[C@H](C2CC2)C1	2300702882	ZYSZXJQYXIDGCJ-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)Nc1cc(F)ccc1C(F)F	2300826670	PXFXLOXBPYGQEQ-JTQLQIEISA-N	245.288	4.754	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1ccc2sccc2c1	2300874607	MAKLECHXNHDORU-CQSZACIVSA-N	246.375	4.681	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CC[C@@H]1CC1(C)C	2300875493	VXXGHOAOQPXZJH-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(=CCC(=O)[C@@]12CC[C@@H]1C2)CCCC(C)C	2300880796	MWVUVQGTLJBDEJ-GDBMZVCRSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C(C)(CC)CC	2300896663	LDAGRJSZKVBYOB-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H](C)[C@H](C)C(C)C	2301845735	ZUXYPFQFBQHLKA-OWCLPIDISA-N	239.447	4.639	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)CCCCC[C@@H]1C[C@@H]1C	2301942381	PUORYFLBDYXKHU-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
O=C(CCCC1=CCCCC1)CC1(F)CCC1	2302313495	QTQMNBDUCYGZIL-UHFFFAOYSA-N	238.346	4.509	0	10	BJAE	
CCc1cscc1NC[C@@]12CCCC[C@@H]1CC2	2302888611	AQZQKXSAGAMBSA-HIFRSBDPSA-N	249.423	4.693	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2C[C@@H](C)CCC2=O)CC1	2303530431	CJTJORPQQLJSQD-NILFDRSVSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC(C)=C(C)C1	2303596145	BKXGSMMCXSFPGH-JKSUJKDBSA-N	237.431	4.824	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC[C@@H]2C[C@H]2CC)C1	2303609557	OCTMMLLXROYSHI-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC[C@](N)(CC[C@H]2CCC(C)(C)C2)C1	2304436145	REGMNUKFIRQCDO-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@H](N)c1cc(C)ccc1C(C)C	2307514087	YEQBSJOZHTYKLO-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2310735900	GUUBQSSTQSVAGG-JHJNDJDLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCC1	2311571047	DEBNFTSBELTPET-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)CCC[C@@H]2CC[C@@H]21	2312332641	JEQBTXXYTSOFME-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@@H]1C[C@H]1CCC	2312826275	TUQZWTJFBZLDKV-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC[C@@]12CCC[C@@H]1CC2)CC1CCCC1	2313343057	XJAFPYPXEXMRBN-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@H](O)c1cc(C)c(C)cc1C	2316247819	IPRVQOSGUOZJRS-KRWDZBQOSA-N	248.410	4.862	0	10	BJAE	
CCC[C@](N)(CCC(CC)CC)c1ccccc1	2316271560	RMRQZJXEGBBCMM-KRWDZBQOSA-N	247.426	4.857	0	10	BJAE	
CCn1nc(C)cc1CC=C(C)CCCC(C)C	2316492464	SQZMMVYXGVUUPG-UHFFFAOYSA-N	248.414	4.527	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316692441	GYAUSADZZQENCX-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C1=O	2317006862	JAEXKUIEKVWFAE-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1CC2(CCCC2)C1	2317008153	QTYZCONRZJAJST-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC=CCCC[C@H](CCC1=CCCCC1)NCC	2317973810	FSIKZBWEJXJNLO-QGZVFWFLSA-N	249.442	4.992	0	10	BJAE	
C[C@H]1[C@H](C)C[C@@H](C)CN1CCCC1=CCCCC1	2318583740	SNUPWXSBGDOZND-OAGGEKHMSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CC[C@H](CCCC2=CCCCC2)C[C@@H]1N	2318592956	OGMRAHMXIJEEMV-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CCCCC1CC1)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2318873163	AVHMCJNBAXLBHQ-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@]2(N)CCC23CCCCC3)C1	2319327289	VAOMUNUBDATNJJ-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCCC1CC(C(=O)CC[C@H]2CC[C@@H]2C2CC2)C1	2319695250	CMWUFFSLZIETHR-IGDQZBHYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC[C@H]1CC[C@@H]1C1CC1	2319751563	XGOZCLUJHYECEJ-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CC[C@H]2C(C)(C)C)c(C)o1	2320310006	GZMFPIAEFGRIOQ-GXTWGEPZSA-N	248.366	4.542	0	10	BJAE	
CN[C@@H](C[C@H]1CCC(C)=C(C)C1)C1(C(C)C)CC1	2320388594	RJNOQLBPYIRJRI-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1	2320420083	MXRJBVQWXGLPGZ-RBSFLKMASA-N	248.410	4.764	0	10	BJAE	
CC=CCCC[C@@H](O)c1cccc(C2CCC2)c1	2320655415	NFQDMGBBTBAXDE-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C[C@H]1CC2(CC2)CN1	2321348125	DRQKFPWRMIFNIM-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccc(F)c(Cl)c1	20429737	VJHIHXVFWIJISR-JTQLQIEISA-N	243.753	4.716	0	10	BJAE	
CCC/C=C/CCCCCCCCC(=O)O	34206382	DECRAQHRGOCKEG-SNAWJCMRSA-N	226.360	4.548	0	10	BJAE	
CC[C@H](C)c1ccc(NC2CCCC2)cc1	36953375	PDMNGEASOQWHKO-LBPRGKRZSA-N	217.356	4.555	0	10	BJAE	
Cc1cccc(N[C@@H](C)C2CCCCC2)c1C	37215645	VYTHUHRRMKGNDR-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(C)c(F)c1	68985602	VEJMQTCZCRICFR-LBPRGKRZSA-N	223.335	4.515	0	10	BJAE	
Cc1c(C)c(C)c(C(=O)[C@H](C)C(C)C)c(C)c1C	70122546	WJTYTGKBKYUVCD-SNVBAGLBSA-N	246.394	4.704	0	10	BJAE	
CCCCC[C@H](CNC(C)(C)C)CC(C)C	82441758	NRODDPYVKMWFRB-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](CC)C[C@@H](C)CC	82631369	BXIUKLRFCDDZFX-KCQAQPDRSA-N	227.436	4.616	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](O)(C2CCCC2)CC1	86961375	LJHJRGJVYFDFLC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](CC)(CNCCC)[C@@H](C)CC	87172826	YCMRRAGBSYJGSV-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
Cc1ccc([C@@H](N)C2CCC(C)(C)CC2)cc1C	87941997	QQYXHWRVDUURND-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CCC[C@@H](N)c1cc2cccc([C@@H](C)CC)c2o1	88074881	RCZWEOMAWOTGSM-SMDDNHRTSA-N	245.366	4.746	0	10	BJAE	
CC[C@H](N[C@H]1CCCC1(C)C)c1ccc(C)cc1	94305762	JIKZDYPLRLZQBY-HOTGVXAUSA-N	245.410	4.614	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@@H]1C(C)(C)C)c1ccoc1	94867850	AHZGPYOVCHDRCD-QEJZJMRPSA-N	249.398	4.535	0	10	BJAE	
CCC1([C@H](O)c2ccc(C(C)C)cc2)CCCC1	94906940	KSGOTWJVXCJHPJ-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
C[C@H]1CCC2=C1C[C@H]1CC[C@@]2(C)C1(C)C	100780739	CSKINCSXMLCMAR-FIXISWKDSA-N	204.357	4.559	0	10	BJAE	endogenous,in-man
CCCN[C@H](C(CCC)CCC)C(C)(C)C	126960535	YXEGHQGBKQMBRM-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CC(=O)C1CCCCCCC1	127926032	XRTBLWKAYDJCKF-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCc1cccc(N[C@H]2CCC(C)(C)C[C@H]2C)c1	155830240	OQBVOIXZQFPUFQ-CJNGLKHVSA-N	245.410	4.876	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C1=CCCCCC1	167312307	DKYPHCVUIYJZLR-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
C=CC1CCC([C@H]2CC[C@@H](CCC)OC2)CC1	167574524	KOGGTTQFNUDWMT-SSHXOBKSSA-N	236.399	4.574	0	10	BJAE	
CCC(CC)C(=O)CC12CC3CC(CC(C3)C1)C2	168659876	LRGGDMCCAXLXGH-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC(C)C)c1cccc(C2CCC2)c1	169048023	KGPCSKQEFBHXOI-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(C)C(=O)CC12CC3CC(CC(C3)C1)C2	201411240	GXPXZEYEZOCGON-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCCCCO/C=C1\CCC(C)=C(C)C1	207477157	PEDOWRJDXHRKNE-NTCAYCPXSA-N	222.372	4.988	0	10	BJAE	
CCCC[C@H](CC)Cn1ccc2c(F)cccc21	212999523	KUVAHVLCFGMANL-ZDUSSCGKSA-N	247.357	4.997	0	10	BJAE	
Cc1cccc(C)c1CNC1CCCCCCC1	215371818	YTTZTLYEJSHIIG-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC[C@@H](C)CC1	226497063	XYEPGNRQSJOROB-OWCLPIDISA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H]1CC[C@@H](CC)C1	227551310	VNAFVDASHHBKRA-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCN[C@@H](CC(C)(C)C)c1ccccc1	228846484	URRCVMUOCKQXNC-INIZCTEOSA-N	245.410	4.720	0	10	BJAE	
CC(C)C[C@H]1CCC[C@H](Nc2ccc(F)cc2)C1	230765530	FQPSORWTBZLRMC-CJNGLKHVSA-N	249.373	4.843	0	10	BJAE	
Cc1cccc2c([C@H](C)CC(C)C)c[nH]c12	232627128	UMEHYWZACPWAEB-GFCCVEGCSA-N	215.340	4.626	0	10	BJAE	
CCCN[C@H](CC(C)C)C1=CCCCCCC1	233160552	JGISJSAQFHQWJR-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(C)c(C(=O)C2(C)CCCCC2)c(F)c1	235817847	OQNDKGVKACGUFL-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCCCC[C@H]1C	251348197	NHIMAADTTSKLLL-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1C[C@H]2CC[C@H]1C2	252811461	GUERZPZOMWJWMC-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@H]1CCCC[C@H]1CC	253053117	WUWGZIDCZFQDQW-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C(C(C)C)C(C)C	302582939	RYCAFSQKNOYXIQ-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CCc1ccccc1O[C@@H]1/C=C/CCCCC1	305919961	BMTHSWCHQZREQT-KDHUCADRSA-N	230.351	4.517	0	10	BJAE	
Fc1c(Cl)sc2cccc(C(F)F)c12	307558881	HENZBJLGWSZNTF-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1(C)CCCC1	308058265	SZKAANQFYHDYBW-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(OCCC2CCCCC2)cc1C	310241893	BRZUCFHCQZNEBD-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CC1(C[C@H]2CCNc3ccccc32)CCCC1	310435670	UKPYDGUQQQIJSQ-CYBMUJFWSA-N	229.367	4.556	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC(C1CCC1)C1CCC1	310722098	IXWATBKVNCSJHQ-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNCCCC(C)(C)C)C1	313281656	LLAHYBQHTUKTHR-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNC(C)(C)C)CC=CCC1	317229986	MHGCXQXXWJNGKF-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC1(CNC(C)C)CCC(C)(C)CC1	317477012	AIDZACJQIXWOJX-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@H](C)[C@H](C)CC	319105796	FWPLFTPRYOLCOY-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)c1ccc2ccccc2c1	319380143	JTXZAHZSHUUHNI-AHIWAGSCSA-N	241.378	4.522	0	10	BJAE	
CCc1cccc2ccn([C@H](C)[C@@H](C)CC)c12	319704352	YGEBMRUHTQVCIM-QWHCGFSZSA-N	229.367	4.811	0	10	BJAE	
CCCCC1CCC(N)([C@H](C)[C@@H](C)CC)CC1	320297840	DLMDDDHTEUEIMY-QRNKSROTSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)c1ccc(NCc2ccoc2C)cc1	320999767	RXFQTOLHJLDCDK-GFCCVEGCSA-N	243.350	4.714	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)C)c1)[C@H]1C[C@@H]1C	321033370	DEQVKADCZWLMGR-RCBQFDQVSA-N	231.383	4.657	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCC2=CCCCC2)CC1	379581597	MFBKEZKVJZEMIZ-DOTOQJQBSA-N	249.442	4.825	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)CCC1CCCC1	379751255	MMFAUXYJJYJQHB-ZSOIEALJSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](C/C=C/CCNC(C)(C)C)C1	379899809	HFHSBQLPENIERE-XEVLESSRSA-N	237.431	4.537	0	10	BJAE	
C/C(=C\C1CCC(C)(C)CC1)C[C@@H]1CCCCN1	380998284	HDALBKOALSGXRT-GRNBYLDVSA-N	249.442	4.681	0	10	BJAE	
Cc1cc([C@H](O)CCCCCC(C)C)c(C)o1	383080200	AAOPPTZYFIMYGX-OAHLLOKOSA-N	238.371	4.536	0	10	BJAE	
CCCC[C@H](CC)CNCC1(CCC)CCC1	391959669	LFSNIKRFOMGBPH-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(F)c(F)c1	395148704	CLNJOUGZLDEWDQ-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
CCc1cc(C(F)F)cc2sc(C)cc12	396195744	FLHMWCWXYFWHFM-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1sc2cc(C(F)F)ccc2c1S	396252534	RZNYKSYSULNYID-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
C[C@@H](CC(=O)CCCC1CCC1)C(C)(C)C	688895351	RXJLKDHFMAJCLC-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCCC[C@@H]1C	691187337	OTXDYCVQJVEBDF-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)C1CC2(CCC2)C1	691921746	VATPOEKBLUPUCX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC=C(C)C)C1CCC(C)(C)CC1	697759268	MPXQRUIPVMKCHI-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1N	697767910	RXLNACSVMCRJDV-ZNMIVQPWSA-N	237.431	4.523	0	10	BJAE	
CC(C)=CCC[C@@H]1CCCCC[C@@H]1CNC1CC1	697773481	GOESWWUHTVEVNT-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](c1cc(C)cc(C)c1)[C@@H](C)CC(C)(C)C	708315231	HABOTTUSCYRSHY-HOCLYGCPSA-N	247.426	4.636	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@]23CCCC[C@H]2C3)c1F	709125714	IGXGRSHSWPQNHG-WWGRRREGSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@]12CCCC[C@@H]1C2	709143290	AFZRHZDPALYBGC-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NCCC1CCCCC1)[C@]12CCCC[C@H]1C2	709154923	LUOCNBGTFAGBRU-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
Cc1cscc1[C@@H](O)C[C@H](C)CC(C)(C)C	709234769	KOYDPUJENZIWJD-GWCFXTLKSA-N	240.412	4.552	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@H](C)C(C)(C)C)C1	711207543	LNAHAKZNYSHRCD-BFHYXJOUSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@H]1C[C@@H]1C1CC1	712920774	WPEJCCZEUWRYGS-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CC(C)(C)CC[C@H]2C)c1	713069119	WYDXQJFNLGGAAR-IUODEOHRSA-N	249.373	4.761	0	10	BJAE	
C=C/C=C\CC[C@@H](O)c1ccccc1C(C)(C)C	713668451	XBIVKNPTFOLROA-MWWKQMNYSA-N	244.378	4.540	0	10	BJAE	
C=C/C=C\CC[C@@H](NC)c1ccc(C(C)C)cc1	713733868	IPGJNKFAGPZDOK-JTGQJZMRSA-N	243.394	4.593	0	10	BJAE	
C=C/C=C/CC[C@H](N)C1CCC(C(C)(C)C)CC1	713744926	JLGMYHBVFUADBP-KFRTVPJQSA-N	249.442	4.689	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714423399	KOIAWGQRZJKQDV-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@]1(C2CCCC2)CCC=CCCC1	719018686	PNULAHPXONZJFV-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCCC1CC=CC1	724133212	XPRQUNVGHKLAOC-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C(CSC[C@@H]1CC[C@H]2C[C@@H]2C1)CC1CCC1	1559447198	ZHVUAHNZVRIPBA-ILXRZTDVSA-N	238.440	4.736	0	10	BJAE	
CC=CC[C@@H](CC[C@@H](C)CCCC)NCC	1900848411	KFWYBILETPICEC-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCCCN([C@@H](C)[C@H](C)C(C)C)[C@H](C)CC	1901725666	YJCZZDRSQIQVEM-KFWWJZLASA-N	227.436	4.568	0	10	BJAE	
CCC(C)(C)CCC(=O)CCC[C@@H]1C[C@@H]1C	1902189932	OZOUBCPIEABQCK-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC(=O)CC(C)(C)C[C@H]1CCC(C)=C(C)C1	1902845480	CFUJVMSMPNEGJA-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2CCC[C@H]2C)CC1	1907006962	ZJMDICOJMSJDTB-QVOMUQBLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC[C@@]12CCC[C@@H]1C2	1908432207	OPHNPMBLHVAFCE-IIAWOOMASA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1C[C@H]1C(C)C	1910646260	RDSSQTIWOCDRJG-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@H](C)c1c(C)cc(C)cc1C	1911836186	NHYWLKPDPXEXPK-LBPRGKRZSA-N	202.341	4.682	0	10	BJAE	
C[C@@H](C=C(CN)C1CCCCC1)C1CCCCC1	1911856340	VPUXSZZPTUJNBI-AWEZNQCLSA-N	249.442	4.668	0	10	BJAE	
CC=CC[C@@]1(CNCCC)CCC[C@H](CC)C1	1912128948	AIYALHXJJRZPCQ-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(C)NCC1(C2CCC2)CC2(CCCCC2)C1	1912578986	OQFUHKPYORKQGX-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC1CC2(CCCCC2)C1	1912710108	UWOGYKKNUNTLRB-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CCCC=CCN[C@@H]1CCCC[C@@H]1C(C)(C)C	1914680879	XLYHASAKYSJSAY-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](N[C@H]1CCC2(CCCCC2)C1)C1CC1	1915926130	VZGRTFZGOAJKMQ-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@](O)(CC)c1cccc(C2CCC2)c1	1919480660	PXYWDYFVEVTJEC-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC1CCC(C)CC1	1920201793	IPKJTCNTJQYZBZ-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CCNC[C@@]1(C2CCCCC2)CCCC12CCC2	1921598291	MTZWBUOUJFZZEV-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
Fc1c(Cl)ccc(C[C@H]2C=CCCC2)c1F	1923234763	CGXDHBCCUPBTAJ-VIFPVBQESA-N	242.696	4.517	0	10	BJAE	
Fc1ccc2oc(C[C@@H]3C=CCCCC3)cc2c1	1925844489	VMTCRRAIAVLMDP-GFCCVEGCSA-N	244.309	4.861	0	10	BJAE	
C1=C[C@@H](CC=Cc2ccccc2)CCCC1	1925879384	KPUQGSRAWLEJAQ-OAHLLOKOSA-N	212.336	4.836	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1C=CCCCC1	1925930662	SEXXQNASDSMVKW-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C[C@@H]1C=CCCCC1	1925946197	QYRMOZFGCDHPIL-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN[C@H](C)c1ccc(C)cc1C	1926171654	ACJQIRLYUFYFEZ-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)CC(C)(C)C(C)C	1940249977	YJTLAKFHVAATLO-MRXNPFEDSA-N	242.447	4.738	0	10	BJAE	
CC1CC(CC(=O)c2cc3ccccc3s2)C1	1940678518	QGRLQVFHJZVWFD-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CC(=O)c1cccc(SCCCC2(C)CC2)c1	1940880094	FYIXCHYEKDPDMO-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CC1CCC(C)CC1	1941262310	CGHTXFKEFGFSDR-SSHXOBKSSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CC1CCCCC1)NC	1941265779	XVPNJWVQYMKYFT-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(N)(CCCCCC2CC2)CC1	1941591747	NRYGOHSRASDTMD-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC(C)C)C1(CC)CC1	1942654166	YAUPCGWKKWTKIM-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@H](C)CCC(C)C	1942663422	ZPGQLSBLWZKFJC-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)C(C)(C)C1CCCC1	1944639580	GVZRQKBRUFYKND-DZGCQCFKSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC(C)C)C(C)(C)C1CCCC1	1944640394	FCLIZXYKXORSEU-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
Cc1cscc1N[C@H](C)C1C[C@@H]2[C@@H](C1)C2(C)C	1944701632	JQAPNZLQYXRHTJ-RAIGVLPGSA-N	249.423	4.539	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CNC1(C)CCCCCC1	1945602179	AGZHBWDQUOWWLV-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H](C)CC(C)C)c(F)c1	1948328877	WWYRUOLHMZNZSK-CHWSQXEVSA-N	237.362	4.617	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(N)CC1(C)CCC1	1948974201	JKGSYUCQCJWZLC-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCC[C@@](N)(CC)CC1CCCCC1	1949008344	ZLJPVZAHFRXPFL-INIZCTEOSA-N	235.415	4.587	0	10	BJAE	
CC=CC[C@@H](C)c1c(C)cc(OC)c(C)c1C	1951308140	AKVCVBQWQZGASI-LLVKDONJSA-N	232.367	4.690	0	10	BJAE	
CCCC(CCC)CNC1(CC)CCCC1	1970114523	MXWBQPWDFOHSQG-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](NC(C1CCCC1)C1CCCC1)C1CC1	1971952467	TZVYJYBWMXAESF-MRXNPFEDSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CC3(CCCCC3)C2)C1	1972428471	LCIKAKNZZPRBRW-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(CC)[C@](C)(N)C1(C)CCCCC1	1975565581	KKUJXECLGSQFCY-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CCCC(C)C	1978425105	PKQCUOXINFOGPR-CQSZACIVSA-N	226.404	4.988	0	10	BJAE	
CCCC[C@](CC)(CN)CCCC1CCC1	1978634984	GDLADDYUTHKZMY-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CC(C)=CCCC1(O)CCCCCCCC1	1980346077	MEPBNVLXNKTDEF-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCCC(O)(CC(C)C)CC(C)C	1984603326	KUJVTUFABRJKFH-VOTSOKGWSA-N	226.404	4.556	0	10	BJAE	
CC=CCCC[C@@H](CCCC(C)C)NCC	1984650417	XGEQKPPLKIHWAX-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
Cc1cc(NCC2(C(C)(C)C)CCC2)cs1	1989463160	KDZZTNSPPDEMEM-UHFFFAOYSA-N	237.412	4.685	0	10	BJAE	
C[C@@H]1CC[C@@H](Cn2ccc3cc(Cl)ccc32)C1	1996230273	HMJRSUAQERRISU-VXGBXAGGSA-N	247.769	4.731	0	10	BJAE	
CCC(CC)CCNC1CC(C)(C)C(C)(C)C1	1997767177	QBVMIIZBJACXDF-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CCCC(C)(C)C1	2000062380	LXGMJWMMPJTIDV-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C(=O)[C@H]2CCCC[C@H]2CC)CCC1	2000195552	UNDBQFYDDJEHQP-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC)C1(C)CCCCCC1	2000390562	OQJCFYFKBYIGDI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)CCCC1CC1	2000390950	SIBNCANFOUQQKE-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@@H](C)C1CCCCC1	2000483346	LUASZALVRMJMTK-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@@](CC)(CNCC)[C@@H]1C=CCCC1	2000504006	CWRVCNOJNWFZMY-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC[C@](C)(CNC(C)C)CC1(CC)CCC1	2000514822	OELNWHGXYWQHLB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@H](NCC1(C)CCCCCCC1)C(C)(C)C	2004937802	UYJDSXXGJGFKBK-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCNC[C@@H]1CCCCC1(C)C	2005584922	ARYTWYIOSAYSHU-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H]1C[C@@H](C(C)(C)CC)C[C@@H](CC)C1	2006625921	ANRNYBMDDRQIEC-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)c1ccsc1	2007936798	ILMPGSBOZABPSD-HNNXBMFYSA-N	249.423	4.679	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H](CC)C(C)C	2007939011	CVSBOAIHQOATET-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
C/C=C/C[C@@](CC)(CCCC)CNC(C)(C)C	2008061774	HERTYAKSEJOQFJ-JCVNQNCUSA-N	239.447	4.927	0	10	BJAE	
CCSc1cccc(NC2CC(C)(CC)C2)c1	2009307604	CUKAQDZEFJYOGS-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)CC[C@H]1CC(C)(C)C	2009420685	QMQKSJWPOYKTLO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2011959628	YYMAJWWGKIOSEI-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(CF)cc1	2013272230	ZVXTYTXOGKTALV-CQSZACIVSA-N	237.362	4.783	0	10	BJAE	
CCCc1ccc(NC[C@@H](CC)C(C)C)cc1	2016107650	XUBAYSLRKFYSKY-OAHLLOKOSA-N	233.399	4.733	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CCC1=CCCCC1	2016118264	XBYOTBZGCIQFGL-INIZCTEOSA-N	235.415	4.731	0	10	BJAE	
CCCC1CC(N)(CC2(C(C)(C)C)CCC2)C1	2017145414	IKGOVTPXUHLSRU-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1(C(C)C)CCC1	2017149179	XKFDDTGTUDALQX-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)c1cccc2ccsc12	2017476719	AEADJAMHMACDAC-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)CCC=C(C)C)CC1	2017659509	VRYFINSHINBQNN-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CC[C@H](CC)CC1	2017663904	ZWYYFUZJKVARND-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@@H](O)C2CCC(C)(C)CC2)CC1	2018975350	RXYRMCHWQARYRI-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1CC1(CC)CC1	2018976025	QXHTTZKIGBVMAP-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)CN(C)C1CC(CCC)C1	2019189590	VXCRFQPCTAUBFK-QQFBHYJXSA-N	239.447	4.713	0	10	BJAE	
CCCCCCN(C)[C@H]1CCC[C@H](CC)CC1	2019290530	KEFFHGBRZSTBKV-HOTGVXAUSA-N	239.447	4.857	0	10	BJAE	
CCNCC(C)(C)CC[C@@H]1CCCC(C)(C)C1	2024089921	UIPRMGYSEPDNPO-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@H]1CCCC(C)(C)C1	2024101555	LQDLHGXPAKEAHG-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CCCC[C@H]1F	2026058367	DEKVOVNSXIHWLO-BFHYXJOUSA-N	242.378	4.690	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@H]1C[C@@H]1CC)NC	2026169690	KFGXZXSORCMXNY-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)C[C@H]2CCC[C@H]1C2	2026290522	QBKGKNKBGRPWJM-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
C[C@H](N(C)C1CCCCCC1)[C@@]12CCCC[C@@H]1C2	2027017436	OQCURCMJOXRMHD-UXLLHSPISA-N	249.442	4.610	0	10	BJAE	
CC1(CCCNc2cccc3ccccc23)CC1	2027843949	VFWDBZBXYCPDPH-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
CC[C@@H](C)[C@]1(C)Nc2cc(C(C)(C)C)ccc2O1	2027876388	WTBZPLGNHGLZDP-BDJLRTHQSA-N	247.382	4.551	0	10	BJAE	
CCc1ccc([C@@H](N)[C@H](CC(C)C)C(C)C)cc1	2028266212	UPLCOGJJIHQCBZ-IAGOWNOFSA-N	247.426	4.567	0	10	BJAE	
CC1(C)CC[C@H](N[C@H]2CC(C)(C)CC3(CC3)C2)C1	2030285950	BVYMMIWCHSTSOY-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@H](N[C@]23CCCC[C@H]2CCC3)CCCCC1	2031807166	CFXMPKGUEJLDQB-ULQDDVLXSA-N	247.426	4.578	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccccc1C1(C)CC1	2032242468	HWTCQRITAJWBFZ-UKRRQHHQSA-N	243.394	4.729	0	10	BJAE	
CC1(C)C[C@H]1CCCNC1CCC2(CCC2)CC1	2032254560	YMCWKWCBBILIKK-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(NC[C@@H]2CCC[C@H]2C)cc1	2032512374	ALVKZFFWJLRJBA-ZBFHGGJFSA-N	245.410	4.877	0	10	BJAE	
C1CCCC(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCC1	2033069905	TYYKPQQGHDUBBG-ZMSDIMECSA-N	249.442	4.658	0	10	BJAE	
CCc1ccc2[nH]c3c(c2c1)[C@@H]1CCCC[C@H]1C3	2034149723	UBLKAEMIVMKNSI-QWHCGFSZSA-N	239.362	4.560	0	10	BJAE	
CN(CCCC1(C)CC1)[C@H]1CCC2(CCCC2)C1	2036771118	LEXHYEHTXBOUGD-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(C)c([C@@H](N)[C@H](C)CCC(C)C)cc1C	2037207102	MWMFICHPEUOVLK-PXAZEXFGSA-N	247.426	4.684	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H]1c2ccccc2NC[C@@H]1C	2037221413	SVYNUTYRJBKGQY-ZQIUZPCESA-N	245.410	4.904	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CCC23CCC3)CC1	2037400308	YKMYTTQYKLJQBO-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)CCCCC23CCCC3)C1	2037577223	HQNPPUKTRMABNX-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC[C@H](NC[C@@H]1CC12CCCCC2)C1CCCC1	2039090658	DIWDXBPICYHNOK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCC[C@H](C)CC2)cc1C	2039373957	JRKDCZHMMKBPER-WFASDCNBSA-N	244.378	4.703	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@H]2CCC[C@@H](C)CC2)c1	2039377400	VDSZMWVDSHOJCH-DOMZBBRYSA-N	244.378	4.703	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@@H](N)CCC1CCCCC1	2039436500	PXRQNSQTWJMYQO-PVAVHDDUSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(N)CC3(CC(C)(C)C3)C2)C1	2039461368	DJZOURHYTZKSPQ-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CCNc1cccc2ccccc12)C(F)F	2039980501	ARYPOWKYPJASAV-LLVKDONJSA-N	249.304	4.543	0	10	BJAE	
C[C@@H]1C[C@@H]2CCCC[C@H]2N(C2CCCCCC2)C1	2041888703	YTQBMPCKXXESTN-HLLBOEOZSA-N	249.442	4.610	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@]1(C)CC=CCC1	2042070727	XYGYPBNVADIYSG-DLBZAZTESA-N	244.378	4.590	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)C[C@@H]1CCC=CCCC1	2045318227	SUDAWISIOZWELC-ZACQAIPSSA-N	249.442	4.668	0	10	BJAE	
C[C@H]1c2ccccc2CN1[C@@H]1CCCC(C)(C)C1	2045530166	WMZQQXHYCPYBQN-DZGCQCFKSA-N	243.394	4.532	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@H]1CC12CCCC2	2047013021	SIRVCNRGFZOXAC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@H]2CC23CCCC3)CC1	2047022258	CDQHDDNEUBEZQS-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H]1CCC12CCC2)C1CCCCC1	2047937278	WRSKUMUYIRPORW-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
N[C@H](C[C@@H]1CCC12CCC2)C1=CCCCCCC1	2047938759	ILNHXGOBLHZMBB-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
C[C@@H](NC[C@H]1CCC12CCC2)C1(C)CCCCC1	2047958627	KGDFGWWIIVCMFY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@]2(N)CCCC[C@H]2C2CCCCC2)CC1	2048878922	DFNWKWJAWSQQFG-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
C[C@@](N)(CC1CCCC1)CC1CCC2(CC1)CC2	2049860536	VOUUEWRADKPBKK-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1([C@H](N)C[C@@H]2CCCC3(CC3)C2)CCC1	2049867480	VGAIXLBCUDVOKZ-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)CC1CCC2(CC1)CC2	2049934337	WKPLPPWJAIZRMB-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C1CCC(C)CC1)[C@@]1(C)C=CCC1	2050008132	SHLJEAPZONIFPY-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC(C)(CC)CC)c1ccccc1C	2050461345	UINOCCSXZYHXKD-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@@H]2CCCCC23CC3)CC1	2053332039	MEDIQHXBSKKRQV-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)[C@H]2CCCCC23CC3)CC[C@H]1C	2053359541	SDQNUJHVWWYXRA-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)[C@@H](C)C1CCCC1	2056874057	SSPYWDIAEIGVGK-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CC2CC(C3CCC3)C2)CC1	2058992272	QLHXLKBIKWDZEL-ZHGJTGPASA-N	248.410	4.598	0	10	BJAE	
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CCCCC[C@](O)(CC)c1ccc(C(C)C)cc1	2073341470	KLTIXKRIAAQBSV-QGZVFWFLSA-N	248.410	4.988	0	10	BJAE	
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CC=C(CC)[C@H](NCCC)c1c(C)oc(C)c1C	2077189480	INUIGCHFSHFNBU-INIZCTEOSA-N	249.398	4.602	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1c(CC)cccc1CC	2079627787	VZDYFVXKWPLPSJ-CVEARBPZSA-N	245.410	4.660	0	10	BJAE	
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CCC(C)(C)C[C@@H](N)CC1C2(CCC2)C12CCC2	2083569315	YDZUKJGRLKDTBZ-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
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CCC[C@@H](CC)Nc1cc(C)c(Cl)cc1F	2210737864	SAVZOVZSHJAAAN-SNVBAGLBSA-N	243.753	4.778	0	10	BJAE	
CCC(C)(CC)C(=O)[C@]1(C)CC=C(C)CC1	2211855967	IWDZTEJZFVEHEY-OAHLLOKOSA-N	222.372	4.518	0	10	BJAE	
CC1(C)CC(C)(CC(=O)CC[C@@H]2CC2(C)C)C1	2215441496	XOCHUUNWFNQHNP-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@H](N)CCCCCCCCC1CC1	2216879141	HJDDZWCGEDNRMV-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@H]1CC[C@H]1C	2220517805	CDDWHEAGLNAOAT-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1ccccc1C1(C)CC1	2220927369	XLZRGHASOKPMSD-ZIAGYGMSSA-N	243.394	4.586	0	10	BJAE	
CCCCCc1ccc(NCC[C@H]2C[C@H]2C)cc1	2220932858	OKSIRMRJVASTSO-ZBFHGGJFSA-N	245.410	4.877	0	10	BJAE	
C[C@]1(CC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCN1	2222948372	HSCIONXOMVIIOQ-YLFCFFPRSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1ccc2occc2c1	2224129782	AZXNHMZGOGQJEP-HNNXBMFYSA-N	246.350	4.683	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC(CC)CC)NCC	2244783873	RTGBQLUIGLMGTK-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CC(=O)c1ccc2ccsc2c1	2246164433	IDXSKPVVCDDVDL-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CCCCC[C@](O)(CC)CCCC[C@H]1C[C@H]1C	2247129392	NWSFHZVFFFGDEH-OWCLPIDISA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1=CCCCC1)NC	2247459396	WLAVJEITKSIUOU-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
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Cc1ccc(-c2ccc(C3CCC3)s2)cc1N	2250256349	SOBFTPMPQAAZEU-UHFFFAOYSA-N	243.375	4.573	0	10	BJAE	
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CC(C)CCC[C@H](C)CC[C@@H]1CC[C@@H](C)[C@@H]1O	2250477837	BTOFXELSUQOILU-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@](N)(CC)CC1CC(CC(C)(C)C)C1	2251604517	PWSRYWYNQNOGBS-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCC[C@]1(O)CC(C)(C)CCC1(C)C	2251673753	JWRGOZJLRSCYDK-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2CC3(CCCC3)C2)C1	2254114128	LNGQCMRZDJVOPQ-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
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CC1(C)CC[C@@H]1CC(=O)C1CC2(CCCCC2)C1	2254914610	KBZRBKDXXLCYNC-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)CC[C@@H]1CCCC12CC2	2255278307	MSYPCQOAEWVZAN-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(N[C@H](C)[C@H]2CC23CCC3)C1	2256418920	FUXBAQQWHXYABO-PRLABOORSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(OCCCCC[C@H]2C[C@H]2C)c1	2257250018	WMPSDWOMHNOADN-CVEARBPZSA-N	246.394	4.899	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@H]1CCCC2(CC2)C1	2257314580	GVJGLOICBARNSF-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(NC[C@@H]2C=CCCCC2)cc(C)c1C	2258234434	BZUPEMMZHWSMNP-MRXNPFEDSA-N	243.394	4.770	0	10	BJAE	
Cc1cc(NCC23CCC(CC2)C3)cc(C)c1C	2258250461	YVYWICJPODPCQI-UHFFFAOYSA-N	243.394	4.604	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](NC2CCC=CCC2)C1	2261403198	QKMUWXZBILGRRS-HNNXBMFYSA-N	249.442	4.680	0	10	BJAE	
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CC=CC[C@H](NCCC)[C@H](CCC)CC(C)C	2300881027	OALLVACRARJHAG-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC(=CCC1(O)CCCCC1)CCCC(C)C	2300915443	BVUXZBFMOWRZRF-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@@H]1[C@@H](C)C[C@H]1C	2301162154	YMIVDSHCWQMRJE-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
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C[C@@H]1CCC[C@@H]1C(=O)CCCC1=CCCCC1	2302356492	NWTOBYCKFMKHAU-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
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CCC[C@H](CC)C[C@H]1CNC2(CCCCC2)C1	2307826442	MLELRONZQGWPJH-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)C1CC2(CCC2)C1	2307870824	ANZOGGVSXUFEBD-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](CC)(C[C@@H](CC)CCC)C(=O)O	2307894585	MZCQXJWDDVMFQS-DZGCQCFKSA-N	242.403	4.874	0	10	BJAE	
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CCC[C@@H](N[C@@H]1C[C@H]1C1CCCC1)C1CCCC1	2311537626	RHOMREZOTKFODS-GVDBMIGSSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NC(CC1CC1)CC1CC1	2313584839	SIDXTFNIWYSLBI-RDJZCZTQSA-N	249.442	4.514	0	10	BJAE	
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CC(=CCN[C@H]1C[C@H]1C1CCC1)CCCC(C)C	2316488422	CAOZBJWIFLPRBC-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
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CCN[C@H]1CCCC[C@H]1CCCC1=CCCCC1	2318598044	PETSLLBXMCWPEE-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
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CC1=C(C)C[C@@H](C[C@@H](O)c2cccc(C)c2)CC1	2320327884	BYHKXSWYESQAFR-DOTOQJQBSA-N	244.378	4.555	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)CCC[C@@H]2CCCC[C@H]21	2320377737	FFZHPKDAOSDFKF-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2CCC(C)(C)C2)CC1	2320419065	GMNCIDQHQLOXCD-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CCC1(C[C@H](O)c2cccc(C(C)C)c2)CCC1	2320581924	PITGPPNIBXXUOU-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@@H]2CC=CCC2)c1	2327708751	RTDAHIKPAGVMKD-PBHICJAKSA-N	244.378	4.508	0	10	BJAE	
CCC[C@H](CC)COc1cccc2c1CCCC2	2328101560	TVMNZDOKFKHTCC-AWEZNQCLSA-N	246.394	4.771	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1cc2ccccc2o1	2328277904	OMZVSVVZBPZKLS-JSGCOSHPSA-N	245.366	4.649	0	10	BJAE	
CC[C@@H](C)Nc1ccccc1-c1ccccc1	21816305	LSGRCEWLWYSDRA-CYBMUJFWSA-N	225.335	4.564	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCC[C@H](C)C1	36974293	DTUMXNJAZYZLOM-ZFWWWQNUSA-N	231.383	4.630	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H](C)c1cc2ccccc2o1	37070838	YZJPZYNDIQVYIS-AVGNSLFASA-N	245.366	4.518	0	10	BJAE	
CSc1ccc(N[C@@H](C)C2CCCCC2)cc1	37197618	NIPNMGBGOVCXPW-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
Cc1cccc([C@@H](C)Nc2cccc(Cl)c2)c1	37202490	IZRACIKGEXFQBC-GFCCVEGCSA-N	245.753	4.822	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H]1CC[C@@H]2CCCC[C@@H]2C1	70106065	ACRPJTIRDVMDGK-HZMVEIRTSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC)CCC1CCCCC1	71083924	WRYKRIUGONWTGH-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](Oc2ccccc2Cl)C[C@@H]1C	85149867	VMPLLTNULAVZKW-SDDRHHMPSA-N	238.758	4.544	0	10	BJAE	
CCCC[C@@H](CC)c1nc2ccc(N)cc2s1	90306207	KRVKRJHJSGACOD-SNVBAGLBSA-N	248.395	4.562	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)Cc1ccccc1C	109713373	LEEHLGSZEKWRHR-WBVHZDCISA-N	248.410	4.505	0	10	BJAE	
CCCC(CCC)Nc1ccc(C)cc1OCC	109909530	OZAICIQSPVLPSY-UHFFFAOYSA-N	249.398	4.774	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1ccccc1OCC(C)C	109911412	BMPFNADWYZUDTG-KBPBESRZSA-N	249.398	4.568	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CCCC[C@@H]2CC)cc1	111745911	WWSWKIBXLBTFDJ-GOEBONIOSA-N	244.378	4.648	0	10	BJAE	
CCC(CC)[C@@](C)(O)c1cc2ccccc2s1	127044143	HOAFVUZJBALWSX-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
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C/C=C(\C)[C@@H](CCCC)Nc1ccccc1	238794016	ZVYBDPMKGLATIN-DTHCKZEYSA-N	217.356	4.624	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCC[C@@H](CC)C2)C1	251717586	JUNWXNJOSJIBMT-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1ccccc1C(C)(C)C	302572168	PNSGDKVYRKBTJV-CJNGLKHVSA-N	248.410	4.700	0	10	BJAE	
C[C@H](C[C@H](N)CCC1CCCCC1)C(C)(C)C	305951570	NCLIOZPQXANIOP-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
C[C@H]([C@H](O)c1cccc(C2CCC2)c1)C(C)(C)C	305952725	AJWBRRXLQMFRMV-WBMJQRKESA-N	246.394	4.670	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)CCC1CCCCC1	306029571	ZWHROTJQEBJTAV-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1ccsc1C	308103897	HXULQFUESZDESP-LBPRGKRZSA-N	238.396	4.702	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](C)c2ccccc2N1	309264484	DZPXSEHBLCFYII-CHWSQXEVSA-N	217.356	4.555	0	10	BJAE	
CC[C@H](N[C@H]1CCC(C)(C)C1)c1cccc(C)c1	310613980	ADPHHIQIAUXNHF-HOTGVXAUSA-N	245.410	4.614	0	10	BJAE	
CC[C@H](C)[C@@H](C)Cc1ccc2c(c1)CC[C@H](C)N2	319654078	PJTZNSTUBFHGES-IHRRRGAJSA-N	245.410	4.658	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H](C)[C@@H](C)CC	320094565	YYYAZIUFSUDWKX-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(=O)CCC[C@@H](C)C1CCCCC1	379939821	XACZSCOLPNKDLP-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H](C)c1ccccc1	380488344	BXQGMEPEWGDJTI-AWEZNQCLSA-N	235.330	4.559	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CC2CCC1CC2	382005087	MIRZJXBBORZZIK-MQBCKMQZSA-N	243.394	4.801	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CCC[C@H](C(C)C)C1	382681211	RMMQETAOIJSYGW-HRCADAONSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@H](CC)CCCCCC(C)C	383273751	NVSBUNUKUQENDC-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CC(C)CCCCC[C@H](O)C1CCCCCC1	383524802	LMWFANLRLNGCHD-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)CCCCCC(C)C	383580364	VWEWXGSRVFKTFB-INIZCTEOSA-N	248.410	4.943	0	10	BJAE	
Cc1cc(F)cc(C(=O)CCC2=CCCCC2)c1	384842797	JGZMTEYCMFURAQ-UHFFFAOYSA-N	246.325	4.597	0	10	BJAE	
CCCC1(CN[C@H](CC)c2ccccc2)CCC1	391770695	DRLIZIAIRWRFOT-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCc1cc2cc(C(F)(F)F)c(F)cc2s1	396303219	SURPJGIPLKTVGC-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCSc1ccccc1N[C@H](C)[C@H]1CC1(C)C	397848481	QXNJKXXCQHNLDC-VXGBXAGGSA-N	249.423	4.645	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C[C@@H]1CC=CCC1	402192461	ADOILGJQGDVXIR-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)CC(C)(C)C2CC2)C1	405750504	COCJFWFHXNLQCS-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CCC(C)(C)C1CC1	405962148	NQHWIAMYUNJPLV-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC(C)(C)C1CC1)NC(C)C	405983347	BIOCIKSFCINTFS-OAHLLOKOSA-N	239.447	4.760	0	10	BJAE	
CC(C)Cc1ccc(-c2cccc(F)c2F)cc1	514251185	MULRYGWNCQOUNA-UHFFFAOYSA-N	246.300	4.830	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)c1sccc1C	686311982	NWBMZDXUPOFCTP-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@@](CC)(CCCC1CCC1)C(=O)O	688364836	NTSIRCZJCQOTFB-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cccc(C(C)C)c1	688899693	MQIRDESSNSRJSX-BBRMVZONSA-N	233.399	4.636	0	10	BJAE	
Cc1ccc(N[C@H](C)CC2CCCCC2)c(F)c1	689713889	CSMDSNHVBYCTTQ-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CCc1c(F)cccc1CC1CCCCC1	694939867	AEBFKTGLFVFGIX-UHFFFAOYSA-N	220.331	4.511	0	10	BJAE	
CC[C@H](C)CCN[C@@H]1CC[C@@H](C)c2ccccc21	696173847	IZJWMPRXUHBEQN-JJRVBVJISA-N	245.410	4.651	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)C2CCCCC2)C1(C)C	699048224	CFKZVCFCVDMZTI-MLGOLLRUSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1ccc2sccc2c1	701255927	UCBWLHATRRJAGT-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)CCC1CCCCC1	704615220	UUGDHWZLHWLULV-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C[C@@H]1CCNc2ccccc21	704797716	RPFZITFLXAOJJC-ILXRZTDVSA-N	243.394	4.802	0	10	BJAE	
CCC(C)(C)CCC(N)(CC(C)C)CC(C)C	704937678	GTRXUVAWYWBDFS-UHFFFAOYSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CC2CCC1CC2	704973992	TXWZRZCLMQQHIP-UYSNPLJNSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)CCCC(C)(C)C	708281084	JFBGURUSNJBKAM-QWHCGFSZSA-N	227.436	4.602	0	10	BJAE	
CC[C@](C)(CNC(C)C)C[C@@H](C)CC(C)(C)C	709105758	NBVHYQDYXLVWEV-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CCNC[C@@H](CC(C)C)C[C@H](C)CC(C)(C)C	709131375	WVEWVMWVWHSWRS-GJZGRUSLSA-N	241.463	4.721	0	10	BJAE	
CCc1cccc(C(=O)[C@@H](C)CC(C)(C)C)c1	709251516	WAIQAGUWWMBFNV-LBPRGKRZSA-N	232.367	4.504	0	10	BJAE	
CC(C)(C)c1cccc(CNc2ccccc2)c1	709483507	SAUWOJONJUSCKD-UHFFFAOYSA-N	239.362	4.596	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1C[C@H]2CC[C@H](C2)C1	710923639	GTZNXWOWDBKQKK-IMRBUKKESA-N	249.785	4.639	0	10	BJAE	
CCCNCC1(C[C@H](C)C(C)(C)C)CCCC1	711155949	FWNMGRDRNNMXNA-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C=C(C)C)C[C@H](CC)C(C)(C)C	711185434	SGAWNZDTZQQHMS-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1cscc1Cl	711506845	PVZWCDRMPZZVIO-JOYOIKCWSA-N	246.803	4.507	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(N)CC1CCCCC1	713174413	GIFUGAKQLVMQDJ-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCC[C@H]2CCCC[C@H]21	714291639	QHIRZZZIICSLLO-ZJIFWQFVSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)C(C)(C)CC	718541013	SESISLCAJNATFZ-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CC(C)=C(C)CCN[C@@H](C)c1ccc(C)c(F)c1	718568535	VQDMUKHHVURWER-AWEZNQCLSA-N	249.373	4.531	0	10	BJAE	
CCC(CC)(CC)[C@H]1[C@@H](C)CNC1(CC)CC	721883782	LTTYGLQSNFKYDL-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C[C@]2(O)CCCCCC2(C)C)C1	723584203	ZYMKYCWIOWYLJQ-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
C=C/C=C\CCN1CCCC1(CCC)CCC	1654702270	QYUHYYWQUQYTFJ-FPLPWBNLSA-N	235.415	4.554	0	10	BJAE	
C1CCCC2(CC1)CCCCN2CCCC1CC1	1655900548	XSQSUNSBLVYYKQ-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CCCc1ccc(CN[C@@H](C)C(C)(C)CC)cc1	1659398453	NYYLVFYJHJVMDJ-AWEZNQCLSA-N	247.426	4.553	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@H]1NCC1CCC=CCC1	1665723902	RDBJTIJWQCXENX-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](CCC(CC)CC)NC	1900711428	DNJHPFAZWVWGSC-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCCCC1(C)C	1900901145	RNMJGVURSZLRNP-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCCCCCc1cscc1[C@@H](C)NCC	1901876204	WLODRJQKTMUYQP-GFCCVEGCSA-N	239.428	4.541	0	10	BJAE	
CCCCCCc1ccc(C(C)=O)c(Cl)c1	1901883877	ZIAWRXVMLVNBLN-UHFFFAOYSA-N	238.758	4.665	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)c1cc(C)c(C)s1	1905380660	HCIOCJDGFLFJNO-STQMWFEESA-N	240.412	4.615	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C(CC)(CC)CC	1905433278	GFBWANHFJBEPMB-UONOGXRCSA-N	227.436	4.747	0	10	BJAE	
C=CC=CCCNc1c(Cl)cccc1Cl	1911783421	ZTMSZKHCLRFGPB-UHFFFAOYSA-N	242.149	4.538	0	10	BJAE	
C=CC=CCC[C@H]1CCCCCCCCC1=O	1913380407	IMADDMQFGYSLDJ-HNNXBMFYSA-N	234.383	4.829	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC[C@@H](C)CC1=O	1916059428	RWHQMPHQIJQJGK-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1CC[C@@H]2C[C@H]2C1	1917354641	HINSAAQAAJYGJU-HLLBOEOZSA-N	241.378	4.555	0	10	BJAE	
CCCc1ccc([C@](C)(N)CCCC(C)C)cc1	1920481811	MMKMRVJBZYFFAW-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C1CC(CCC)C1	1921259831	QWTGOACDFNVPAN-OFLPRAFFSA-N	249.442	4.703	0	10	BJAE	
CC(C)(C)c1ccccc1NCC[C@H]1CC1(C)C	1921566217	ZGNZPDRGHCXFET-ZDUSSCGKSA-N	245.410	4.832	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C1C[C@H]2CC[C@H](C1)C2	1925733455	DTLGKCISUBAVCA-KKUMJFAQSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](C[C@H]2C=CCCCC2)NC)C1	1925944719	GFNOJFYMNDEMOY-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCCCCC1(C)C	1926194053	QQUMNCRFRPXGKQ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1cc(Cl)cs1	1933725340	ZEJNQYYYNLXBPI-JTQLQIEISA-N	245.819	4.618	0	10	BJAE	
CCCC[C@](N)(CC)CCCCCC1CC1	1936429018	MTDZUCDTOBBGOZ-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCc1cscc1[C@H](O)C(CC)(CC)CC	1938843718	RRBBYUWSVYYRKZ-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
CCCC[C@@H](C[C@H](C)CCC(C)C)NCC	1939123316	VHDUZOXVQAPYSL-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CC1(C)CCCCC1	1940383860	WFWMHMPURGKZOO-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCNC[C@@H](CC(C)C)CC1(C)CCCCC1	1940405276	GQFSEKLNLUHCQJ-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc(C)c1NCCC[C@H]1CC1(C)C	1940872346	LOGJBULFENMIER-AWEZNQCLSA-N	231.383	4.542	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](C[C@H](C)CC(C)(C)C)NC	1941262217	ALGKWNFYQLOIDP-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(O)CCC1CCC1	1941470120	LSJCUBPMWFFWET-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CCCCCC2CC2)C1	1941587304	QXTSIWZFBIVWGJ-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCCCCC2CC2)C1	1941590908	GIBDTUHQDHWIRX-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1CCC1CCC1	1941690333	PNDPGOULGFASQI-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(C(=O)CC2CCC=CCC2)s1	1941792113	ZATQIBFDENZHQE-UHFFFAOYSA-N	248.391	4.630	0	10	BJAE	
CCC[C@@H](C)C[C@H](CNC(C)(C)C)C1CCC1	1942093721	VLBICYZVEGTDHG-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](N)[C@]12CCCC[C@@H]1CCC2	1944156356	OVWBBSZHIYYGRQ-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cccc2sccc12	1945947600	NHGVQWPBHYBXHS-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CC(C)c1ccc(NC2CC3(CCC3)C2)cc1	1946641562	OXXJDJHKGVYKDT-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)c1ccsc1	1947594722	ZMVNNEJJCHUJDK-UKRRQHHQSA-N	249.423	4.535	0	10	BJAE	
CCCN[C@@H](C(CCC)CCC)C1CC(C)C1	1948155422	LRMPFMNBNSFGHS-BCLQGDPASA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(N[C@H](C)[C@@H](C)CC(C)C)cc1	1948327555	PTCUKZHSBGTPRG-UONOGXRCSA-N	233.399	4.732	0	10	BJAE	
CCC1(C)CC([C@@H](CCCC(C)(C)C)NC)C1	1948410892	ITRBIUJXAMWFNX-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCCC[C@@H]1CC)NCC	1948426864	XWWDAJODVWHHCU-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CC2(CC)CCC2)C1	1948982203	LWYOSUQEEKFYDV-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC[C@@H]1CC)C(C)(C)C	1949825441	MIWOYULFWOAGES-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC1CC2(CCC2)C1	1949837020	GGQQGIXGGXUWHH-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC1(N)CC2(CCC(C)CC2)C1	1950561272	UFNGEOBRKYHUNE-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)[C@H]1CCC[C@@H](C)CC1	1950910536	HLPBKVMZLINWKA-UGUYLWEFSA-N	240.431	4.636	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@H]1CCCC(C)(C)CC1	1950920175	SPXLQLFFNHXHCM-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)(CC)C(=O)c1sccc1Cl	1959914684	PBQVKXWLNLWAQS-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
CC(C)(CN[C@H]1CCCCC12CCC2)C1CCC1	1967779962	CLDDRQDGLKICBW-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)CN[C@H](C)c1cccc(C)c1	1969836328	IIGOBRVJRAHQEP-OAHLLOKOSA-N	247.426	4.862	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1CCC12CCC2	1972258674	DFGWHEMCBPYOCL-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC(C)(CN[C@H]2CCCC3(CCC3)C2)C1	1973675229	OQQXNXFVSPQLPO-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1cc(C(F)F)cs1	1977079176	RAHXRSXUQVTGPO-VIFPVBQESA-N	247.354	4.512	0	10	BJAE	
CC=CCCCC(O)(CC(C)C)CC(C)C	1984603325	KUJVTUFABRJKFH-UHFFFAOYSA-N	226.404	4.556	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1CCC1(C)C	1987945637	CDDHNSSEFPGKIB-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cccc(Cl)c1	1988795069	PJYSJDJMZVMDAG-LBPRGKRZSA-N	237.774	4.887	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)C1CCCC1	1990093291	JMNPLSPRMDLVFI-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(C[C@H]2C=CCCCC2)ccc1Cl	1993193937	QAPJTNUJFOSICX-ZDUSSCGKSA-N	234.770	4.937	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccc(Cl)c(C)c1	1993201447	VIHFVPAEIDCYBS-QMTHXVAHSA-N	240.774	4.508	0	10	BJAE	
CCCSc1ccccc1N[C@H]1CCC[C@@H]1C	1996572469	DPKFEIMXAUPQTJ-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCC[C@H](CC)CC1	1997116718	MMHZWCUTQADFOT-XHSDSOJGSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)C1CC=CC1	1997549506	BCDKVSLMBSEGCN-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CCCC(C)(C)C)C1	2000190311	LRDURRHFARXDSE-OCCSQVGLSA-N	236.399	4.764	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)c1cccc(Cl)c1	2000294320	RGDCERBNYKBIDU-RISCZKNCSA-N	248.753	4.515	0	10	BJAE	
CCCNC[C@@](C)(CCC)C[C@H]1CC=CCC1	2000518738	ROEIDJWNCUYZJD-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCCC1=O)CC(C)(C)C	2003120561	ZXLAHZSTCKKFRZ-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1CCCC2(CC2)C1	2003189338	BBYZXBKZVNHQJP-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccc(CF)cc2)CC1	2007023902	FPMOWXRRVWVIDE-JSGCOSHPSA-N	235.346	4.537	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)C=C1CCCCC1	2007942888	LGZWEUAQJLGQRP-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)c1sccc1C	2007948055	SBFMXFYAKLKPFX-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
CCC[C@@H]1N[C@H](C)C[C@@H]1C1(C)CCCCCC1	2009056811	OJIKVIFQUDRUAR-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C1CC(C)(C)C1	2009616453	JGXGSPRSPYXSKC-KEDPEKRHSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@]1(C[C@H]2CCCC[C@H]2C)CCCN1	2009769274	FYHHLSVTBKMQFZ-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC(C)(C)C)C1=CC[C@@H](CC)CC1	2010711906	DYBVRTNHOJEPCO-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@H](O)C1=CC[C@H](CC)CC1	2010713796	OGTMXDNQOSSGRP-BBRMVZONSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCNC2(CCC2)C1	2011863533	VXKRDEVNAAHNIP-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCCC(C)(C)NCC1CCC(C)(C)CC1	2013527742	FIWZMSLOMNXIGD-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)CC(=O)c1sc2ccccc2c1C	2014303448	FIVRCMQXYHIHOH-JTQLQIEISA-N	246.375	4.829	0	10	BJAE	
C/C=C/CCCC(=O)[C@]1(C)CCCC(F)(F)C1	2014956991	JKVOKFKJXCSJAV-ITDFMYJTSA-N	244.325	4.518	0	10	BJAE	
CC(C)[C@H](C)CC1(O)CC(C)(C)CC(C)(C)C1	2015284505	OETPRKMQOKWGNN-CYBMUJFWSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC=Cc1ccc(N)cc1)C(C)C	2015341315	YWJXKQYCBCYAJR-UHFFFAOYSA-N	231.383	4.600	0	10	BJAE	
CCC1(C[C@@](O)(CC)C2CCCCC2)CCC1	2015585156	ZHSQTGCLSYUQAF-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC1(CC2(O)CCC(CC)CC2)CCC1	2015639486	HLKYAGVRDHLIEU-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC1([C@@H](O)C[C@H](C)CC(C)(C)C)CC1	2015759947	DKIQGZQVMBMIEK-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H](C)CCC=C(C)C	2016149814	NEWSCXMIRQOWPQ-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CC(C)(C)CC(C)(C)NC[C@H]1CC[C@H](C)CC1	2017721650	BGMRFUOQGVPPRL-HDJSIYSDSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC[C@H]1CC[C@H](CC)CC1)NCC	2017722955	RQLSISMNKWKFPW-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1CCC2(CC2)C1	2018130959	LZHIHHIKDXRNHN-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)CCCC(C)(C)C)CC1	2019322729	FIBZSILPKSRURV-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(O)(CC(C)C)CC(C)C	2022448713	QHOKZXOWLWZRLA-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC(F)=C1CCC1	2023187646	UWABGCOLKCMYFP-CYBMUJFWSA-N	238.346	4.714	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C1CC2(CCC2)C1	2026078673	GLLFOIPPTHRXCH-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@H]1CCC[C@@H]1C	2026144923	OVHHDBUEBFYTQU-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
c1cc2c(C3CCCC3)coc2c2c1CCC2	2026607964	XJGHWPPSCHWJNV-UHFFFAOYSA-N	226.319	4.579	0	10	BJAE	
CN(C[C@H]1CCCC2(CC2)C1)C1CCCCCC1	2026964346	XCQOCAWXZGCESI-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)c1ccccc1C1CC1	2028560903	VSZIIYOTJUOCSN-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](C)[C@@H](C=Cc1ccccc1)NCC	2028583364	JQWOQXWJLQFPOE-DOTOQJQBSA-N	245.410	4.504	0	10	BJAE	
CCC(CC)CC(=O)c1ccccc1CC(C)C	2028931942	YOMQXVGKUVVIPN-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1ccccc1C(C)C	2029826853	SJBSJVMDQUHZDY-PBHICJAKSA-N	248.410	4.916	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)c1cc2ccccc2o1	2029838440	SEQVATGDWYQBRD-BLLLJJGKSA-N	245.366	4.505	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1N[C@@H]1CCC12CCCCC2	2035496470	QUKBKSZJNNUDMT-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
CC(C)NC[C@]1(C[C@@H]2C=CCCC2)CCC[C@@H]1C	2035585083	BTDKEXQBYPNHBO-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@@H](N)CCC2CCCCC2)C1	2037053036	INPWWIHAJCFOHF-JQFCIGGWSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1[C@@H]1CCC(C)(C)C1	2037693845	JORUVYKNNDSYNP-IOASZLSFSA-N	243.394	4.658	0	10	BJAE	
CCC1([C@H](CC2CC3(CCC3)C2)NC)CCCC1	2038090597	SWKBHEPWNJOBTP-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@H]1CC12CCCCC2	2039012532	PYENBYWPRXOPKV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](O)Cc1ccccc1C(C)C	2040720323	ZFAOCNXEVFRELH-MRXNPFEDSA-N	248.410	4.540	0	10	BJAE	
CC(C)c1ccc(NCC23CCC(CC2)C3)cc1	2041247100	ILJWYXQEBDUFGE-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2042344860	LEXZMNXTDFIWKG-WCXIOVBPSA-N	249.442	4.536	0	10	BJAE	
CC[C@@H]1CCCCN(C[C@H]2CCC=CCCC2)C1	2045304148	BLKKDSABYPMHQL-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@@H](C)N1C[C@H]1CCC=CCCC1	2045312751	QHFHWCIUTMMLKZ-YVSFHVDLSA-N	249.442	4.632	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2C[C@H]3CCCC[C@H]32)C1	2045451756	WCIOYAJEOFNFPK-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1c1ccc(C(=O)CC2(C)CCCC2)o1	2045562749	YNSNXTHNOCHJIP-VXGBXAGGSA-N	246.350	4.556	0	10	BJAE	
CCc1ccc([C@H](NC)C(CC)(CC)CC)cc1	2045731017	UTEQUYMGCHJHKE-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C[C@@H]1CCC12CCC2	2047929063	OBADTLJRUVQIIX-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2[C@H]3CCCC[C@H]32)CC1	2048440676	BJLJPWCNUKMKSD-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2[C@H]3CCCCC[C@H]32)CC1	2048447402	VMGXGSCDHXDJMJ-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2049218370	FUBYFQUZUGEDKX-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)C[C@@H]1CCCC2(CC2)C1	2049850548	YQUVWHHKSQEWGW-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@@H]1CCC2(CC2)C1	2049855484	JLIYYEYIJKIQPZ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCNCC1(CC2CCC3(CC2)CC3)CCC1	2049857356	NDGIGEQVXNULSM-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CN[C@H](C[C@@H]1CCC[C@H](C)C1)[C@]1(C)C=CCCC1	2049997579	OMTXXOPTBWNFMM-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]([C@@H]2CCCC[C@H]2F)Nc2ccccc21	2055185384	LWBOAOLPZLJTHK-XKVFNRALSA-N	247.357	4.503	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N(C)[C@@H]1CCC2(CCCCC2)C1	2055252922	DVJCFYPEYQDBPV-OAGGEKHMSA-N	249.442	4.610	0	10	BJAE	
CCCNC[C@H](C1=CCCCC1)[C@H]1CCC[C@@H]1C	2055273194	ZWQGNFWSZOLYRI-BHYGNILZSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1C=CCCC1(C)C	2055541909	KQJPQWHBTFOLCJ-HOCLYGCPSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CCCCC23CCC3)CCC1	2055548802	FKWUHFPVJUWUDU-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1CCC2(CCCCC2)C1	2055671858	MLGXCYAFZIARAS-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
C[C@H]1CCC[C@H](CC2CC3(CCC(N)CC3)C2)C1	2056617692	VSLKLYBELCRLDM-PENGNTFPSA-N	249.442	4.501	0	10	BJAE	
CC1(CC[C@H](N)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	2059180371	JZOGWMLIFDHAIT-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1ccc(CC)cc1	2059249171	FJNLWETWLWHNNE-BBOMDTFKSA-N	245.410	4.646	0	10	BJAE	
CCCCCC1CC(N[C@@H]2C=CCCCCC2)C1	2059486514	JLWVNEXNZFZLDI-AQFXKWCLSA-N	249.442	4.824	0	10	BJAE	
CCN[C@H](CC1CC(C)(C)C1)C1=CC[C@H](C)CC1	2060927496	YFRLTAQKAKXIPR-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C([C@]2(O)CCCC3(CCC3)C2)CC1	2061087439	GACUAWQEFZSLJA-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC1CCC1)C1=CC[C@@H](C(C)C)CC1	2061089021	QEHUPUXPLNBBSZ-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](N)(C1=CC[C@@H](CC)CC1)C1CCCC1	2061112549	HBRQSNBLNHQKRC-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CCC1([C@H](N)C2=CC[C@H](C(C)C)CC2)CCCC1	2061151998	XCDCKMBOFUSYLF-GOEBONIOSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@]2(N)CCCCCC23CC3)CC1	2062008227	CFNBLKOVRSGLEH-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CN([C@H]1CCC(C)(C)C1)[C@H]1CCCCCC12CC2	2062192329	BVPRIMGZVGSFAH-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CCCCC1CC(N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063488665	CIBKYIOTWJDDLO-AQRZSSMZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063489168	XMWGZNBBVXUIBN-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1C[C@@H](CC2CCCCC2)CC2(CCC2)C1	2063643098	SEDRNDGUSSRQNG-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(CCCCCC1CC1)c1occc1C	2063676891	CZSADDJPKXOSHQ-MRXNPFEDSA-N	249.398	4.513	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CC(=O)CC3(CCC3)C2)C1	2063720610	JXZOFMISXGXYQJ-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(N[C@H](C)[C@@H]2CCC2(C)C)ccc1C	2068290756	ZFPJHMWGINBNKG-CJNGLKHVSA-N	245.410	4.794	0	10	BJAE	
CC(C)(C)c1ccc(OC[C@H]2CC23CCC3)cc1	2069183094	QKPZPDPIBJHPLX-CQSZACIVSA-N	244.378	4.553	0	10	BJAE	
CCC1(C[C@H](NC)C2(CC3CC3)CCC2)CCC1	2069512454	BDRRPWBKUOUHSA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1CCNC1CC2(CCCCCC2)C1	2071479257	OJYABRMZGYUNNF-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1CC[C@@H]1C1CCC1	2071794944	PTIZVIJZWZGEJG-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1CC2(C1)CC21CC1	2072229428	WCHUJWLZRAWCDZ-GULBITTBSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H](C)c2ccco2)CC1	2072682371	ULNNOKNBGMWZOS-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
C=C=CC[C@H](C[C@H]1CC[C@H](CCC)CC1)NCC	2072798611	LHANORYCGGNWHI-BRWVUGGUSA-N	249.442	4.692	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC=CC[C@@H]2C)CC1	2072805299	AVEQAHFUMNHPHH-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]3CCCC[C@H]32)CC1	2072870826	HRUQJHMQHGOZDF-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@@]12CCCC[C@H]1C2)C1CCCC1	2074031112	XANQKNMFJDKIGW-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCC1(CC(=O)c2c(C)oc3ccccc23)CC1	2074591812	VSKHVDNCTJEAGS-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CN([C@@H]1C=CCCCC1)[C@@H]1CCC12CCCCC2	2075408558	QXNSUOIAFHMAQQ-HZPDHXFCSA-N	247.426	4.530	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccccc2C2CC2)C1	2077261881	HDDKONUMGMXRQN-DZGCQCFKSA-N	243.394	4.945	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H]1C[C@@H]1C1CCCCC1	2079437078	ZKWLQXOFQQCHPK-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)n1C[C@@H]1C[C@H]1C1CCCCCC1	2079481831	XMJCXWDSKJGRHX-IRXDYDNUSA-N	245.410	4.711	0	10	BJAE	
N[C@@H](C[C@H]1C[C@@H]1C1CCCCCC1)C1CCCC1	2079818061	HKWKPJGMFRPBKV-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2C[C@@H]2C(C)(C)C)c1C	2079850290	DURBTTUGQMCKJL-HIFRSBDPSA-N	244.378	4.558	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)c1cc(C)cc(C)c1C	2082919651	RXKPBMZVKLFGKJ-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)[C@@H](C)CCC(C)C)c1	2082941902	LDLQCGNGOPYXRV-GUYCJALGSA-N	248.410	4.718	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@@]23CCC[C@H]2C3)C1	2082984751	DCCINBHDNRQSER-KEYYUXOJSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@@H](C(C)C)C2)ccc1C	2085240595	ZPMTYTQPEOICQO-NVXWUHKLSA-N	245.410	4.794	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NC)c1ccccc1C	2086050654	NNDDJLOUSQUFBH-PBHICJAKSA-N	247.426	4.862	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CCCCCCC1CC1	2213574830	YSFNMXUTNPEDHW-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@@H](N)CCCCCCC1CC1	2213576599	RWPWAEDJSSJRFY-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@H](N)CCCCCCC1CC1	2213576606	RWPWAEDJSSJRFY-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H]1CC[C@@H]1C	2214924381	ZXPBLDSFCBNQPV-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@@H]1CC[C@H]1C	2215095067	CICSAWMUKOGGMD-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CC1(C)C[C@H]1C(=O)CCCCCCCC1CC1	2216877883	QYVWSRQONIZGRO-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C1CC2(CCC2)C1	2218723772	HKSOWCMOYKSCLN-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@H]1c1ccc(C(=O)CCCCC2CC2)o1	2220013732	NZOTUTQPMLPVGR-WCQYABFASA-N	246.350	4.556	0	10	BJAE	
N[C@]1(CCCCC2CC2)CC[C@H]2CCCC[C@H]2C1	2220030997	QWEARPFTDDVDBZ-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1C(=O)CCC1CC(F)C1	2220629822	AXWJYUGDICKYNJ-UHFFFAOYSA-N	248.341	4.521	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(N)(C1CCCC1)C1CCCC1	2220678117	XPBBXRBDYWBUMI-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CC)[C@H]1CC=CCC1	2220873294	ACTFXPNALMFOOJ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@@H]1CCCCC12CCC2	2220964229	WHSAPNZNZBJTIJ-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C1(C)CC2(CCC2)C1	2221005679	YNCOLVVCJQSQOE-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(Cn2ccc3c(F)cccc32)C1	2221086714	UWFHFUIFLUVWHG-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
CC1=CC[C@](CNC(C)C)([C@H]2CC[C@H](C)C2)CC1	2221661766	MMGYAMRRKNUKCK-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(NC[C@H]2CC=C(C)CC2)CC1	2221669728	ZVQHQCHCFJFCCQ-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@H]1C[C@@H]2C[C@@H]2C1	2223132424	JXKNVJTVNICONR-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](CC)Nc1c(C)cc(O)cc1C	2223342930	FKYZGJDJNOFFOM-AWEZNQCLSA-N	249.398	4.780	0	10	BJAE	
CCC[C@H](C)CC1(CNC2CCC2)CC2(CC2)C1	2223566532	QBWUZWAFTRESNZ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)c1ccc(C2CCC2)cc1	2223698603	AUWRDAMMKRJMFN-DCGLDWPTSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H]1CCc2cc(C)ccc2N1	2224126393	WYZXNDUFWLNXCF-IIAWOOMASA-N	243.394	4.548	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1ccc(Cl)cc1C	2244781126	JBLJWMYOHLSWNI-RISCZKNCSA-N	240.774	4.508	0	10	BJAE	
CC[C@](C)(CO)CC[C@H](C)CCCC(C)C	2244870095	XQLMBGIPWLXEJT-CABCVRRESA-N	228.420	4.638	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C1CCCCCC1	2247158958	KAEXJOQZQIQDME-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](c1csc(C2CC2)c1)C1CCCCCC1	2248048306	NYBILVSBQNWBSI-OAHLLOKOSA-N	249.423	4.596	0	10	BJAE	
Cc1ccccc1NCCCCC[C@@H]1C[C@H]1C	2248858526	RMPDASYIQXADNA-HUUCEWRRSA-N	231.383	4.623	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC1(O)CCCCCC1	2248874720	YFTDIAYNOVZSBA-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H]([C@@H](CC)CCC)[C@H]1CCC1(C)C	2250353068	QWXIINBMTOXCPL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@H]1CC[C@@H]1C	2250485800	OJTDPDBFFSQVGS-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@H](C)C1CCC1	2250493175	ZIKWDVJNVODUKO-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@@]12CCC[C@@H]1CC2	2251161961	ISTWAVGXXFEKTC-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CCC[C@@H](C)[C@H](N)CC1CC(CC(C)(C)C)C1	2251584450	FPYKYJXLVBVICK-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H]1[C@@H](CCCC(C)(C)C)CCC1(C)C	2251711762	KCPRLHGNSKPLLP-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CCC1CC(C)C1	2251752433	ZMXZOAIQJQHXTD-GYTBAZASSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC[C@H](N(CC)c2ccc(F)cc2)C1	2253415416	AHGVIQDGJRRKIO-BBRMVZONSA-N	249.373	4.621	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@H]1CCC[C@H]1C)CC2	2253869678	JNOUYBPMLHIQIY-WQVCFCJDSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CC2CC3(CCCC3)C2)[C@@H](C)C1	2254041031	HGAGSJIMIRSWEF-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C1(CC2CC2)CCC1	2254590592	XDAGLSXGYZBDEG-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@@H]1C)[C@H]1CC=CCC1	2254594789	RZWJJLYAUUKMFH-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C(C)(C)C1CCCC1	2255100384	NRQOUDAFNGRMHH-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@]1(C)CC=CCC1	2257249860	WDJFVSBABDMDGV-HLLBOEOZSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)C=CCC(C)(C)C1	2257305485	VAHICZSXVDQYAX-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
N[C@H]1C[C@H]2CC[C@H]1C[C@@H]2CCCCCCC1CC1	2257310995	KGXMSUHBTWROIZ-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CC[C@H]3C[C@H]3C2)c1	2257879828	OHFMKYDHOXNKES-HEHGZKQESA-N	243.394	4.585	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2CC[C@H]3C[C@@H]2C3)c1	2257954663	CYVORKJIYLVCAD-ZENOOKHLSA-N	243.394	4.585	0	10	BJAE	
Cc1cc(NC[C@@H]2CCCC[C@H]2C)cc(C)c1C	2258236209	HKHXFOPWYXJDSN-WBMJQRKESA-N	245.410	4.850	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CCC=Cc1ccccc1	2259438115	OGYPYBLONWXCKS-SJORKVTESA-N	246.394	4.667	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1ccccc1C1CCC1	2259441043	BRZUPVBRLPDFKP-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(C)cc1OCC	2259464951	KAKLCPPEGOCVOK-CQSZACIVSA-N	249.398	4.632	0	10	BJAE	
CC[C@]1(C[C@]23CCCC[C@H]2CC3)CCCCCN1	2260677114	CTSSRDDILFIRCP-GVDBMIGSSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C)CC1CC([C@@H](N)C[C@H]2CC=CCC2)C1	2261202935	OPRAIPDTQWKBJK-LBDPXKHJSA-N	249.442	4.523	0	10	BJAE	
CC1CC(CC[C@@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2261490410	KPJUZZNFNAUDGD-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C[C@@H](O)[C@H](C)CC1CCC1)C(C)(C)C	2298928256	ZSBQRUWIIKTQBF-BPLDGKMQSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CC[C@@]1(N)C[C@@H](C)CC(C)(C)C1	2300698909	COVBKTHDUJAPJS-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@H]1CCCCC1(C)C	2300897317	RKQGHPIIXUSCHH-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC=CCC[C@H](CC1CCCCC1)NCCC	2300902450	UQTJMHGYEJULMJ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C)[C@H](C)C(C)C)cc1	2301825718	NMVLCNUSGWDVHJ-KGLIPLIRSA-N	233.399	4.903	0	10	BJAE	
CCC[C@H](C)C[C@@H](CCC1=CCCCC1)NC	2301942712	RZJXLMNDHMWMLL-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC1CCC(C[C@@H](O)CCCCC2CC2)CC1	2302580493	SLOWLIOWVPSQAY-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)CCCC1CC1	2303512764	LQTZFHZKNRNWNB-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)[C@H](C)C(C)(C)C)CC1	2303524624	SIPNGTHEWHATTO-KKUMJFAQSA-N	237.431	4.523	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H](C)CCC(C)(C)C)CC1	2303597561	RKAXQPKUQOTXMD-LSDHHAIUSA-N	237.431	4.680	0	10	BJAE	
CCCCC[C@H](C)NCC[C@H]1CCC(C)(C)C1	2304421472	YOOVVROLCSHSEU-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C(=O)CC[C@@H]1CCC(C)(C)C1)C1CCC1	2304434782	LCRNBFJCNOHQPR-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](C)CC(C)(C)CC[C@@H]1CCC(C)(C)C1	2304446863	JKUIZNNTCXXGDH-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CCCCCC2=O)C1	2304448110	VAPMFVAITSLMJE-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)CN(C)C[C@@H]1CCC(C)(C)C1	2307901945	HYFCZBHQPMWURE-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@H](CN[C@H](C)CC)C(C)C	2307924922	PVSLSPRGNXCKOS-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)[C@@]12CCC[C@@H]1C2	2308189608	ZGSVAKUOPXSVFY-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCCCC[C@H]1C[C@@]12CCC[C@@H]1C2	2310885871	KCKGHNFPIUDWNC-ZMSDIMECSA-N	248.410	4.886	0	10	BJAE	
CC(C)=CC[C@H]1CCCN([C@H](C)CC2CCC2)C1	2313608491	MGHWBNYZCWHFIN-NVXWUHKLSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C(CC2CC2)CC2CC2)C1	2313692983	SPVJJMLRKRJNAL-WBMJQRKESA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](NCC)c1ccc(C)c(CC)c1	2314711363	KOAUHCJMQDIABB-KRWDZBQOSA-N	247.426	4.788	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)c1cc(C)c(C)o1	2316531497	FYXKGALVWYRNIP-OAHLLOKOSA-N	249.398	4.684	0	10	BJAE	
CCC(C)=CCc1ccc(OC)c2ccccc12	2316571916	XXEWLTJIYCDYMY-UHFFFAOYSA-N	240.346	4.747	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)[C@@]12CCC[C@H]1C2	2316876188	SNTLJQJUGHGDIJ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@@H]1[C@@H](C)C[C@H]1C	2317906915	LXNFRDQQSOGEKP-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
CCCCCCc1ccc(C)c(CNCCC)c1	2318367331	KPUXXBYUTXTFDF-UHFFFAOYSA-N	247.426	4.617	0	10	BJAE	
C[C@]1(CNCCCC2=CCCCC2)C=CCCC1	2318533082	DTFUABZBXDYICK-KRWDZBQOSA-N	247.426	4.603	0	10	BJAE	
Cc1cc(C(=O)CCCC2=CCCCC2)oc1C	2318566046	SHZRNWAYOAQDED-UHFFFAOYSA-N	246.350	4.750	0	10	BJAE	
C[C@H]1CCC[C@H]([C@H](N)CCCC2=CCCCC2)C1	2318570221	VCTVAOBAZHCVFP-BHYGNILZSA-N	249.442	4.811	0	10	BJAE	
CCc1occc1C(=O)CCCC1=CCCCC1	2318573028	NCSMFIQUDOHEGM-UHFFFAOYSA-N	246.350	4.695	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)C1(C(C)C)CC1	2318576562	QIIOWWXQIYVYHF-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
O=C(CCCC1=CCCCC1)C1(CC2CC2)CC1	2318591854	CKDZFOLUDMNIIA-UHFFFAOYSA-N	246.394	4.807	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC[C@H]2C)CCC(C)=C(C)C1	2320267326	DNISSUYPJSNDAA-DJIMGWMZSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)c2ccc(C)cc2)CC1	2320334983	AGCNOFITMULHHU-RDJZCZTQSA-N	243.394	4.521	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCCC(C)(C)C2=O)CC1	2320389398	ZVFYQPZFSUKFRM-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H]2CCC[C@@H]3C[C@H]23)CC1	2320421334	UTMAKRGPTCGCDQ-FZKCQIBNSA-N	246.394	4.518	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H](CC1CC1)C1CC1	2320697450	WPAMMSXUNAWNBE-INIZCTEOSA-N	248.410	4.742	0	10	BJAE	
CCCCCCc1ccc(C(C)=CCCN)cc1	2327909712	HIMDWSDLEYVJNF-UHFFFAOYSA-N	245.410	4.562	0	10	BJAE	
CCCCCCc1ccc([C@H](C)C[C@@H](C)N)cc1	2327912834	YGVUDSMPPLRYBP-HUUCEWRRSA-N	247.426	4.650	0	10	BJAE	
c1ccc(C2CC2)c(Cn2ccc3ccccc32)c1	2341560310	QUFDEUGYROYWRZ-UHFFFAOYSA-N	247.341	4.567	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1cc(C)ccc1C	20482628	DTDPZDPCOGFCBY-GOEBONIOSA-N	233.399	4.520	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@@H](C)CCC(C)C)c1	21513129	VQYDBGYJDDIABT-JKSUJKDBSA-N	247.426	4.779	0	10	BJAE	
CCc1ccccc1N[C@@H](C)c1cccc(F)c1	21516371	FOGMEWRZTSYWRA-LBPRGKRZSA-N	243.325	4.561	0	10	BJAE	
CC(C)CCC[C@H](C)CCOc1ccccc1	33962135	MKXPLUCMXAMDBY-HNNXBMFYSA-N	234.383	4.918	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H](c1ccccc1)C(C)C	36967451	NYUASUUVDLIWAO-RDJZCZTQSA-N	247.426	4.798	0	10	BJAE	
Cc1ccccc1[C@H](C)NC(C)(C)CC(C)(C)C	37100804	OYOXHYKNICMFSK-AWEZNQCLSA-N	247.426	4.860	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CCCCC2)c(C)c1	37185485	CTCCJIHBSLUKSN-CQSZACIVSA-N	231.383	4.684	0	10	BJAE	
CC[C@@H](N[C@H](C)c1ccc(C)o1)C1CCCCC1	52334861	BHAVASBGOLXPGE-UKRRQHHQSA-N	249.398	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc3c(c2)CCC3)C1	71105473	SFCHFJVRZBDXRM-CZUORRHYSA-N	243.394	4.556	0	10	BJAE	
Cc1ccc(NC2CCC(C)(C)CC2)cc1F	79619939	CTDZFKNWSDVUMH-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCCN[C@@H](CCCCC(C)C)C(C)(C)C	80423078	VRCZWJCHKJQFPX-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C3CC3)C2)cc1C	81623914	NUZJMRAQYLPSBK-HZPDHXFCSA-N	243.394	4.684	0	10	BJAE	
CCC[C@H](C)CC(=O)C1CCC(CC)CC1	83778221	ZXGLFQYGGVRVSX-HSBZDZAISA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)C[C@H](C)n1c(C(C)C)c[nH]c1=S	83865574	MVVHRBASNYWEBG-MNOVXSKESA-N	240.416	4.666	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](NCC)[C@@H]1C	86064679	JIBCDUDABYTHQB-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCC)C1CCCC1	103943404	PODUHIRDVYTZRU-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1CCC[C@H](C)C1	109736059	QCRCNGAVRLNSCY-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](C)NC1CCC(C(C)(C)C)CC1	109927935	RQCQPTVZNJGOLK-ZUJMUWTESA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@@H](C)[C@@H](NCC)c1ccccc1	128550449	YKGLDAUIGUXGAN-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
C[C@@H](NC1CCCCCC1)C1CCCCCC1	149930596	CQVTUYQDYYQCSW-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@@H]1CC(C)(C)CC[C@H]1CNCCC	156288401	ALBZJFXHLXDHBT-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCc1ccccc1C(=O)[C@H]1CCC[C@@H](CC)C1	166286414	MDHQJHTULULDJY-HIFRSBDPSA-N	244.378	4.648	0	10	BJAE	
Cc1cc(C)c(Nc2c(C)cccc2C)c(C)c1	196441821	NLXYMNARXOOBEW-UHFFFAOYSA-N	239.362	4.972	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@@H](CCC(C)(C)C)C1	217705719	DFIWHHKWAZVIOS-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@H](N)[C@H]2CCCCC2(C)C)cc1C	226544751	JHZHGKKKBNJZGI-CVEARBPZSA-N	245.410	4.520	0	10	BJAE	
CCCC[C@H](CC)C(=O)C1C[C@H](C)C[C@@H](C)C1	229186372	PNDKKSRNZXESAS-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C)Oc1ccccc1C(C)(C)C	233343144	DNBHDPRITPDANR-LBPRGKRZSA-N	220.356	4.552	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@H]1NC(C)(C)CC(C)(C)C	235586063	IIIUVDGBVNIVMV-STQMWFEESA-N	239.447	4.616	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNC2CCC(C)(C)CC2)C1	235700171	FHWQVXGWUDSQTL-UKRRQHHQSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(O)CCC[C@H](C)CC1	251728588	KHFHXTABKNRZCC-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](NC(C)C)[C@@H]1C[C@@H](C)C[C@@H](C)C1	252601855	MQWKATHQHRNQHR-JJXSEGSLSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@H](O)[C@H](c1ccccc1)[C@H](C)CC	252905966	SXCRKURYVASPPE-PVAVHDDUSA-N	248.410	4.758	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@H]1CCCC1(C)C	300283786	LWBDSGJYZYSLOI-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)C1(CC(C)C)CCCC1	302574537	PXQHTBDURWMDQV-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC(C(=O)C[C@H](C)CC(C)C)CC1	304197447	XVOKGLMGJKAISU-WLYUNCDWSA-N	238.415	4.844	0	10	BJAE	
Clc1ccc(O[C@@H]2/C=C/CCCCC2)cc1	304201956	XRHQYZJOCOGXNP-DIECRNLCSA-N	236.742	4.608	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)C(C)(C)CC	305904566	CFUYJHYMHLQJLO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)Cn1ccc2cccc(Cl)c21	305919756	HLVYHTFSXZVFMZ-GFCCVEGCSA-N	249.785	4.977	0	10	BJAE	
CCc1cc(Cl)c2c(Cl)csc2c1	307029746	OTXDSCMDUBBZRW-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
Cc1ccc2c(C(F)F)c(Cl)sc2c1	307490519	GYVWELRMQMXBIA-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCN[C@@H](C)c1cccc(C2=CC[C@@H](C)CC2)c1	310618061	FRMSVAWZYWJJGM-KGLIPLIRSA-N	243.394	4.561	0	10	BJAE	
Fc1cccc2c1ccn2CCC1CCCCC1	310661320	VJXBUBIXFVIILW-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
Cc1cc2ccccc2n1CC1CCC(C)CC1	310763744	NEOIZHGFWJNWSU-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H]2CCCCC23CCCC3)C1	311110349	MKUDUSJALNBWFF-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)c1ccc2sccc2c1	319682490	JSTKALFVGHQION-PGUXBMHVSA-N	247.407	4.583	0	10	BJAE	
CCCN[C@H](C(CCC)CCC)[C@H](C)C(C)C	319779092	GPHPNUIXPZGRAJ-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](Nc1cccc2ccccc12)[C@H]1C[C@H]1C	322084000	VFIPXTALBIMBKW-KCXAZCMYSA-N	239.362	4.686	0	10	BJAE	
CCCCC[C@@H](C)NCC/C=C\c1ccccc1	323843385	NTKUKTZHWXYPBG-IHWMJMDHSA-N	245.410	4.648	0	10	BJAE	
CCCCc1ccc(N[C@H]2CCC[C@@H]3C[C@H]23)cc1	378895123	UHOHSPVKKKRLBY-PVAVHDDUSA-N	243.394	4.630	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H](C)C2CCC2)cc1	382157636	IRXKLFFRJGGLAD-OLZOCXBDSA-N	231.383	4.801	0	10	BJAE	
Fc1ccccc1/C=C\c1ccc(Cl)s1	382638804	SSAGSRIQDOMFCK-WAYWQWQTSA-N	238.714	4.711	0	10	BJAE	
CC(C)CCCCC[C@H]1CC[C@H]1CNC(C)C	383206967	PDWKPPRRUYGJKD-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C(C)(C)C(C)(C)C	383877832	QXUMSICHVFAMRZ-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCCc1ccccc1C(=O)C[C@@H](C)C(C)(C)C	384517653	JBIGKKOIMKGEND-CYBMUJFWSA-N	246.394	4.894	0	10	BJAE	
CCOc1ccc(N[C@@H](C)CCC(C)(C)C)cc1	385368804	NHXMGGDRBBTWEZ-ZDUSSCGKSA-N	249.398	4.712	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cccc2ccsc12	386212125	HSWMHOMTGIJGTD-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@H]1N[C@H](C)CCC(C)(C)C	386262215	MXTOMLVCJILWDE-BFHYXJOUSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](Nc1cc(F)ccc1C)C1CCCC1	387616590	PEVIJQXWTSKAKV-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC(C)(C)C(C)(C)C)C1	394571091	OXQHPBHNRIJSMH-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)C1(CCCCCC(C)C)CC1	394767748	RKABSJFIOZDXJT-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H]1CCCC[C@@H]1C	395047160	PCUWPILLYIZLFQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCc1c(C(C)(C)C)[nH]c2c(C)cc(C)cc12	395631201	CLDKIEYWFFHTIG-UHFFFAOYSA-N	229.367	4.645	0	10	BJAE	
CCc1cc2ccsc2c(SC)c1CC	396180074	YYQNRZYHPSCVQJ-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CSc1c(C)ccc2cc(C(F)F)sc12	396407057	NPYVMEGSGSLUNR-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@H](N[C@@H](C)C(CC)CC)[C@H]1CC1(C)C	397599299	MSDNIEDSHXFNCZ-CFVMTHIKSA-N	239.447	4.616	0	10	BJAE	
CN[C@@H](CCC1CCC1)C[C@@H](C)CC(C)(C)C	398910448	LBQFSRKEQCCJSG-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@H](C[C@H]2CC=CCC2)NC)CC1	402140138	ILFRXLZREHVSGZ-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CCC(C)(C)C1CC1	405723334	OXFFWOYTVFVFNX-ZFWWWQNUSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C(=O)CC(C)(C)c1ccccc1)C(C)(C)C	686738136	QOTRGDGUDLDOIL-ZDUSSCGKSA-N	246.394	4.606	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCCC2CCC2)C1	688841192	YEFQDPLZAPSIBX-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](O)c2cccc(C(C)C)c2)C1	688950513	MEMKDWHDUURSHX-COXVUDFISA-N	246.394	4.670	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCC1(C)CCCC1	689751381	CSFIENLWCKMYTF-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC1CCCC1)NCC(C)(C)C1=CCCC1	689828420	WBVZFEDYQYGIAH-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1cccc(F)c1	691168572	RRZYHFJCCYGFQW-IUODEOHRSA-N	235.346	4.597	0	10	BJAE	
CC(C)(C)NCC/C=C/C[C@@H]1CC2CCC1CC2	691698908	HYKGAUUXAISFDX-XZJDITFYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](NC)C2CC(C)C2)cc1	691964937	YHDGLZFIIMWUDJ-FZLDSSPASA-N	245.410	4.507	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCC12CCCC2	694370610	NQEBXTQUCGVWOK-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C2CCC3(CC2)CC3)CC[C@H]1C	695665786	DKAMDXIJJRHNHO-IPYPFGDCSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H]2CCCC3(CC3)C2)C1	695715364	GAZAJRSVKZUJCV-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CNc1ccc2ccccc2c1)CC(F)F	700204708	SHBHDQXFDIWYFA-NSHDSACASA-N	249.304	4.543	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCCC[C@@H]1C)C(C)(C)C	704880232	VULYCVJZHPEMQL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@](C)(N)CC2CCCC2)C1	707685082	VCSNPCDBTHYFCR-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2CCC[C@H]3C[C@@H]32)n1	709475387	GSGNYZJEKCFWLH-TUAOUCFPSA-N	249.423	4.734	0	10	BJAE	
CCN[C@@H](C[C@@H](CC)C(C)(C)C)C1CCCC1	711068372	KVWUDNJQAIXPST-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(=O)[C@@H](C)CC(C)C)C(C)(C)C	711180869	SMGYWONSNPJRSF-QWHCGFSZSA-N	226.404	4.700	0	10	BJAE	
C[C@@H](CC(=O)C[C@H](C)C(C)(C)C)C(C)(C)C	711201312	PDSZCXSKLKXODS-RYUDHWBXSA-N	226.404	4.700	0	10	BJAE	
C=C/C=C\CC[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	713674034	NPEBWOYBZZLTHX-WJDZFGBRSA-N	234.383	4.540	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714389706	CVOQYUHPPYUVGZ-ARFHVFGLSA-N	248.410	4.908	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCCCCC1(C)C	719243546	WVKRAGILVFSWJL-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC(=O)c1ccccc1-c1cccc(C)c1Cl	719778512	CBJMJIIMRQOTJK-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](NC)C(C)(CC)CC	721663750	OREPJDOXEPHJFW-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@](O)(CC2CC(C)(C)C2)CC1	723544856	GMUYADDBIPQCBB-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1c(C)csc1C	724971479	NOGHRBLVQNGYKD-TZMCWYRMSA-N	240.412	4.615	0	10	BJAE	
C1=C(CCCCC[C@H]2CCCO2)CCCC1	1901955320	AGDYCWRMAOPMGQ-HNNXBMFYSA-N	222.372	4.616	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@@H]1CCC(C)=C(C)C1	1902847143	FCUZEJVURDGJAT-SMDDNHRTSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cscc1CC	1905301453	LHJGXBWUGAIJKE-LLVKDONJSA-N	238.396	4.710	0	10	BJAE	
CCC[C@H](CC)CC(=O)C(C(C)C)C(C)C	1905318432	DBVCTIJOYDEHLV-ZDUSSCGKSA-N	226.404	4.700	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)CC(C)(C)CC	1908556326	UTEXWHYMDULMCS-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC=C[C@H](NCCC)c1ccc2sccc2c1	1912046441	SUZXMMLIPGGJJE-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H](N)C1CC2(CCCCC2)C1	1912644924	IFKWHOPNJDWAJT-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NC2CC3(CCCCC3)C2)cc1	1912691467	SZQUTPSWEQLELK-UHFFFAOYSA-N	229.367	4.520	0	10	BJAE	
Cc1c(Cl)cccc1CC[C@@H]1C=CCCC1	1913217830	TULAMWJTCKYPNL-CYBMUJFWSA-N	234.770	4.937	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)CC[C@H]1CC(C)(C)CC	1916055819	KBNADJMKHILAKM-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H]1CCC2(CCCC2)C1	1916432202	YSNJBUTXWLMJTI-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCC3(CCCC3)C2)c1	1916438195	OERJYAQSEJUSIO-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
C[C@H](C(=O)CCC1=CCCCC1)C1CCCC1	1924098132	MGFMPDWINUYVQD-ZDUSSCGKSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@@H](C)C1CCCC1	1924100564	XQOPXWWFERJFOW-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H](C)C1CCCC1	1924138013	GDUHMZTYWRFROI-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CC1CC(C)C1)c1cccc(C(C)C)c1	1925131713	PPONTDVVPCFWFB-MQBCKMQZSA-N	245.410	4.507	0	10	BJAE	
CCC(CC)CCNCc1ccccc1C(C)C	1926169473	CQHWVJLXKIZAFG-UHFFFAOYSA-N	247.426	4.726	0	10	BJAE	
Clc1ccc(CC[C@@H]2C=CCC2)c(Cl)c1	1932592025	FJBYMRATFYUBCX-SNVBAGLBSA-N	241.161	4.892	0	10	BJAE	
CCCCCC[C@H](O)[C@@H](CC(C)C)C(C)C	1936193172	PXRQLXBFGPXBGT-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1cscc1CC	1938826605	NUUYFWDPLGXYLV-FZMZJTMJSA-N	240.412	4.560	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@@H](CC2(C)CCCCC2)C1	1940415636	OAHJVJXSBXLDPD-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](O)CCCC1CCC1	1941246921	YRRCSQUILCKDNW-JKSUJKDBSA-N	240.431	4.636	0	10	BJAE	
CC1CC(C)(C(=O)c2csc3ccccc23)C1	1941986016	RSBUSYGRVYNSLL-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C1(C)CC(C)(C)C1	1941990279	XCUIEIYEIAOHBB-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]([C@@H](C)CCC(C)C)C1	1942660432	LWDMXQNFNWLTOK-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CCCC2(C)CC2)C1	1943040248	NLEWHSGKHKNNBO-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1CCC(C)(C)C1	1945592214	MDJNPZVEMWETNE-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC1(C)CC(CN)(C[C@@H](C)CC(C)(C)C)C1	1948411452	QJXHHHUOFUYQQV-JEYLPNPQSA-N	239.447	4.604	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCC12CCCCC2	1949047730	WXICMFPTMLOHPF-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H](C)CC1(O)CC2(CCC(C)(C)CC2)C1	1950543594	DPIRKPJQOXNUGH-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CO)CCC[C@H](C)CC1	1950909910	BCEORFNEYRUIAP-GOEBONIOSA-N	240.431	4.782	0	10	BJAE	
CCC[C@@]1(CNC(C)(C)C)CCC[C@@H](C)CC1	1950924022	JRUOVTHCTRIVMM-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CCCC(C)(C)C)CC1	1950929496	HPUSFODLONDXSM-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](Nc1ccsc1)C1(C)CCCCC1	1957851631	UKQLZSHMQFWGMO-LLVKDONJSA-N	223.385	4.519	0	10	BJAE	
CCCC1(CN[C@H]2C[C@@H]3CCCC[C@@H]3C2)CCC1	1965938508	QOMISUAQMLKAJR-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCC[C@H](C)[C@H]1C	1968347006	UYJHZAFZZXLJDW-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(F)ccc1NC1CC2(C1)CC(C)(C)C2	1968361278	IHYQWTCKHSMSDF-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@@H](NCCC)C(CC)(CC)CC	1978587924	XCUCJFFIOLCHFZ-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC=C(C)C)NCC	1981002791	UISYYIYVCFRIMP-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CCCC(C)(C)C)CC1	1984462840	TWPYGTPEJOQBDJ-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
C/C=C/CCCCC(=O)c1ccccc1Cl	1984593150	LWHMQWYIHABCOM-NSCUHMNNSA-N	236.742	4.659	0	10	BJAE	
CC=CCCC[C@H](CC(CC)CC)NCC	1984630748	VEKFLIWNDXEPSJ-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](CC(=O)c1cscc1F)C(C)(C)C	1985369693	BBAJWAHVKHAESL-SECBINFHSA-N	242.359	4.532	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CCC(C)=C(C)C	1988793670	BEDSAPVDHKHRTI-OAHLLOKOSA-N	224.388	4.620	0	10	BJAE	
CCCCC[C@@H](CC)N(C)Cc1cccs1	1990831739	BAWWYBJJAHZZEA-CYBMUJFWSA-N	239.428	4.539	0	10	BJAE	
CCC(CC)(CC)N[C@H]1CCC12CCCCC2	1995652675	AGGUZDOOWVVDHI-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@](C)(N)C1(C)CCCCC1	1995985400	JGSAFOAROJWXCL-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)NC[C@H]1CCCC2(CCCCC2)C1	1996647951	UDFUUGJPERNZPL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H](C)c1ccsc1	1998381664	YGHKXQGFAKIGLZ-CHWSQXEVSA-N	249.423	4.678	0	10	BJAE	
CCN[C@H](CCCC1CC1)CCC(C)(C)CC	2000370165	BCHIVLYTKPUQMC-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC1([C@@H](CCC2CCC2)NCC)CCC1	2000381975	JXKVUJVHARTSAO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)[C@H]1CCC1(C)C	2000483486	MZWKTJITSMDHGS-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[C@H]1CC1(C)C	2000514408	WSRGUSLUAKJAEK-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC)C1CC2(CCCCCC2)C1	2000669594	JKOMQUUEVQNDBC-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)C[C@]1(C)CNC1CCCCCCCC1	2003103012	ZZSRCQZVLMSOBC-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1CC[C@H](C)CC1	2003103489	KPEMPEUMHUOUNR-FVQBIDKESA-N	237.431	4.537	0	10	BJAE	
CC(C)CCN(C)[C@@H](C)[C@H]1CCCC(C)(C)C1	2004161260	YGVZHDULNKGSGV-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCCCC12CC2	2005544601	GGBUTTZYWGATAH-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
Cc1ccsc1C(=O)[C@H]1CCCCC12CCC2	2005565286	SHDINZKMAXQNAV-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CCCCCC[C@@H](CC1CC(C(C)C)C1)NC	2007748660	FSDDFHGGYKVKNL-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@@]2(N)CCCCC[C@@H]2CC)C1	2007749748	PSLOQXVUZBXWGV-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC2(C)CCCCC2)CC1	2009403328	BAQDHBAXDCBGJZ-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCCC[C@@H]1C(C)(C)C	2009574731	VBPTZICGGWDDGC-CKAOXQASSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCCC(=O)c1csc2c1CCCC2	2009577250	MMTFATFVAWFAKQ-NSCUHMNNSA-N	248.391	4.556	0	10	BJAE	
C/C=C/CCC[C@@H](CC1CC(C)(C)C1)NCC	2009616906	NHKQBGQWOVHQRB-ZKKXHLJNSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@H](C)C[C@@H]1NCCC	2009618597	DGVFPTPUHOZOFZ-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](C[C@@H](C)CC(C)(C)C)NC	2009619561	MSISBEZFSRDJBI-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@H](C)C1CC1)NCCC	2009636692	ZAITXXVPAZZODL-CXFYGJIZSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C1=CC[C@@H](C)CC1	2010622297	DSPNAHUEQYMCRS-CQSZACIVSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CCCC(C)C)NC)CC1	2010770464	YTMSRROSYQFSTP-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H](N)C1CCC2(CCCCCC2)CC1	2013212733	WTPIHDPBGTWTRJ-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cc(F)cc(F)c1	2013264056	KNTMNUCZEUQYQA-ZDUSSCGKSA-N	241.325	4.592	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)C1(C)CCCC1	2014334641	MNGJFVDZRDVUEX-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C)C1(C)CCCC1	2014340135	POBJONVBHXWILM-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC(C)(C)[C@@H](CC(C(C)C)C(C)C)NC	2015275337	PETLNCZQAHCZDA-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CC(=O)[C@]2(C)C=CCCC2)CCC1	2015597921	MZSSXDIMULOKAS-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1c(F)cccc1F	2016150986	ZVTOBYZUBXXQLC-LLVKDONJSA-N	239.309	4.512	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)C2CCCC2)CC1	2017651797	YJKSXMDCTXOBSO-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCCCC[C@@H]2N)CC1	2017720847	IILGYFZQUQJGJS-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2018129317	BRBZXCAJIZPNCY-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1CC1(CC)CC1	2018976023	QXHTTZKIGBVMAP-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)CC1(CC)CC1	2018976942	USZUABWFEPTYEY-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCC1(C[C@@]2(N)CC(C)(C)CC[C@H]2C)CC1	2018985742	SQXDYQGXUQUFON-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCCN(CCCC)[C@H]1CCCC[C@H]1CC	2019200642	PLGDICHTHCNNGI-CVEARBPZSA-N	239.447	4.857	0	10	BJAE	
CCC[C@@H](CC)N(C)[C@H]1CCC12CCCCC2	2019259597	ZGLRTTNDVINMCA-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CC[C@@H]1CCCCN(CCCCCC(C)C)C1	2019340364	MWYCEHFVYSRRHG-MRXNPFEDSA-N	239.447	4.715	0	10	BJAE	
CCC1(C)CCC(O)(C[C@@H](C)C2CCC2)CC1	2019778980	MLUWUOREDWTLBA-IUDNXUCKSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](CCCCC(C)(F)F)NC	2023287439	ILKQUXFAYIRBJP-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCCCC[C@@H]2N)C1	2024096535	VOAXPRDPAHYWFE-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)C[C@H]1CCCC(C)(C)C1	2024101850	NSFGJUDPSMVGLD-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)CC1(C)CCCCC1	2027884443	BHPYQXSJHUNFAY-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@]1(CN)CC=CC[C@H]1C)C1CCCCC1	2027924317	UCCDJPYQJGHDCI-INMHGKMJSA-N	249.442	4.524	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)c1ccc(C(C)C)cc1	2028267079	YDPXITKINUDYNY-SJORKVTESA-N	247.426	4.882	0	10	BJAE	
CCCC(CCC)[C@H](N)c1ccccc1C1CC1	2028559192	DMRUUAGVXMNBDO-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
O[C@@]1(C[C@@H]2CC=CCC2)CCCCC12CCCC2	2028873887	IAEXNRLLBQZRKD-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1ccc(C2CC2)cc1	2029076419	ZEEHDXJQAFNVFC-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)[C@H]1CC12CCC2	2032133776	FMLDPLKTYLMUEY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C[C@@H]1C=CCCC1	2035576213	NNXNJDQKLSQNDH-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	2036668250	UWJHTSVDEYLACT-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCN1C[C@@H](C2CCC2)CC[C@@H]1C	2036781701	TYEUBMBBNFBPEG-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@@H]2CCC[C@H](C)C2)c1	2037143253	QDHHDDGZGZRLLD-YSVLISHTSA-N	245.410	4.636	0	10	BJAE	
N[C@@]1(CCC2=CCCCC2)CCC[C@H](C2CC2)C1	2037171464	IUVKMSGOAKQRME-DLBZAZTESA-N	247.426	4.565	0	10	BJAE	
C[C@@H](C=C1CNC2(CCCCC2)C1)CC(C)(C)C	2037749331	PEFRKKKEZCOXSP-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@H]1C=CCCCC1	2039042681	XBXIQCUKFNUQMC-YESZJQIVSA-N	249.442	4.680	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)C23CCC(CC2)C3)c1	2039858995	HASPOLWNQWDITG-UQPPLGOBSA-N	243.394	4.684	0	10	BJAE	
Cc1ccc(C[C@@](C)(O)CCCC(C)(C)C)cc1	2041820065	KIVFFGYAYLQIBX-KRWDZBQOSA-N	248.410	4.505	0	10	BJAE	
CN[C@@H](C[C@@H](C)C1CCCCC1)C1(C)CC=CC1	2042020183	VHDNOTNAVGNEEP-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@]1(C)CC=CCC1	2042027818	QSFKPEXFAZKXJR-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1CCC(C)CC1)[C@@H]1C=CCCC1	2043186928	IJSKIAAHYCSJET-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)[C@H]1C=CCCC1	2043187783	OJTLIYXRQTWTKV-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C1(C(C)C)CCC1	2045719827	WSPSYWCVZNAXAE-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C(=O)C[C@H]2CC23CCCC3)CCCCCC1	2047027276	QKPRFABUDHTSHI-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047405940	HMZVRFHRJFLMOK-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](C[C@H]1[C@H]2CCCCC[C@H]21)C1CCCCCC1	2048451702	SBEIOUDVUJVOGO-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@]1(C2CCCCC2)CCCC12CC2	2053356733	LDPDMLQVEQMXAL-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](c2ccccc2C(C)C)C1	2055140530	XYUQSLURENZQGE-UONOGXRCSA-N	244.378	4.673	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2C=C(C)CCC2)CC1	2055548694	DEXLTDKACSWTKQ-IXDOHACOSA-N	249.442	4.824	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)C1(C)CCC(C)CC1	2056554160	VCDZKDNKKJXYPI-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
Cc1cc2ccccc2n1CC1CC(C(C)C)C1	2056670216	UWZPPQOTQFKEIT-UHFFFAOYSA-N	241.378	4.632	0	10	BJAE	
CCCCc1ccc(NC2CC(C3CC3)C2)cc1	2056688204	XYRVLHXDGNQRHR-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CC1=CCCCC1	2056878199	HZCNGANKNOURRG-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
CC1CCC(C)(C(=O)C2CC(C3CCC3)C2)CC1	2057497460	IQCJPPDGDHDETA-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@H]1[C@H]2CC[C@@H](C2)C[C@@H]1NCCC	2059251778	BNSADIROWZOEKJ-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(NC[C@@]23CCCC[C@H]2CCC3)C1	2059395420	KVAFOOYDICVDEL-XGHPGWEVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CC1)C1=CC[C@H](C)CC1	2060921533	MCRGHPJRVOPLHD-JJRVBVJISA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)[C@H]1CCC[C@H](C)CC1	2060922230	QFXUCNMWFYBFSX-JKQORVJESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H]2CCC[C@@H](CC)C2)CC1	2061098426	JCROOEMWMHCQKQ-SRABZTEZSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)NCC1CC(=C2CCC2)C1	2061646099	BMFJPPDODHVHMW-UONOGXRCSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](Nc1cc(C)cc(C)c1)c1occc1C	2063673296	YUXJHVYORVMJJE-OAHLLOKOSA-N	243.350	4.768	0	10	BJAE	
CC1(C)CC=C[C@](O)(C[C@H]2CCC=CCCC2)C1	2063678710	TUMROGUCERBIPK-RDJZCZTQSA-N	248.410	4.620	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)C1CC(=C2CC2)C1	2068836641	LUWVHMJHVFOSJP-SUMWQHHRSA-N	249.442	4.537	0	10	BJAE	
CCCC1(Cn2c(C)cc3ccccc32)CCC1	2069278807	NUHXJMCQJULMOZ-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC1(CC2CCC2)CC1	2069582072	XZSILEWZNFNXBF-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CC[C@H]2C2CCC2)CC1	2071800287	SUHXDOHUPQLZIY-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C2(C(C)(C)C)CCC2)c1	2071932265	DRHIQMGPYMVUMZ-HNNXBMFYSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)c2ccccc2)CC1	2072797987	FFVSORDSBYJGKD-BFYDXBDKSA-N	245.410	4.683	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)C=CCC(C)(C)C2)CC1	2072819079	BXAOOMBHPWIIBV-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CCC1(C[C@@]2(CNC3CC3)CCCC2(C)C)CC1	2074624132	OGSRNPMPVPZNTO-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCCN(C[C@H](C)c1ccccc1)[C@H](C)CC	2075143549	HMQRKHYFSSPUET-JKSUJKDBSA-N	247.426	4.691	0	10	BJAE	
CCCCCc1ccc([C@@H](N)C2CCCCC2)o1	2077986853	ODLDUTLSIXHFFM-INIZCTEOSA-N	249.398	4.592	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC=CCCC1)[C@@H]1C[C@H]1CC	2079221213	AOBYTGUUDPAYAY-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCC1	2079492636	RWFWBBAKLGUCFV-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1COc1cccc2ccccc12	2079816647	ZIGZXIQWKSYXQN-ZBFHGGJFSA-N	240.346	4.511	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2C[C@H]2C2CCCC2)CCCCC1	2079839968	YZDUGKDWVIVNAS-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C[C@]2(N)CCC[C@@H]3CCCC[C@H]32)C1	2081133693	RPAOGJLGZHOQPX-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H]1C[C@@H]1C1CCCC1	2081794199	ZTFBHVDTFFDHHB-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CC[C@H]3CCC[C@@H]3N2)C1	2082982776	NKUVBLJXVHBNCM-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@]23CCCC[C@@H]2C3)C1	2082986534	MXOVFMBNUYQRQP-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
CCCCC(=O)CCC1CC2(C1)CC1(CCC1)C2	2083605559	IAQZZXGEWBNEKS-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C(=Cc1ccccc1)CC1=CCCCCC1	2210662612	RHKHQWBUEAQTOS-UHFFFAOYSA-N	212.336	4.980	0	10	BJAE	
FC1(F)[C@H]2CCC[C@@H]1C[C@@H](CC1CC=CC1)C2	2213304665	ZURZTZHWGOFGPD-ZSOGYDGISA-N	240.337	4.804	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)CCCCCCC1CC1	2213576842	VHYMOSAYUNNAHN-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@H]1CC[C@H]1C	2214958515	FFYQDMWCLUTVOC-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CC)CC(C)(C)C	2215252391	QBRZUPUYMLYBOU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CCn1ccc2ccc(Cl)cc21	2215346009	NPUSUSICDDJIPL-DGCLKSJQSA-N	247.769	4.731	0	10	BJAE	
CCC(CC)C[C@]1(N)CCC[C@H](C(C)(C)C)C1	2216252481	KJMJHGNJGCVYET-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC[C@@]1(C)CCN1CCCCCCCC1CC1	2216858391	COBNSWGWFSNWNQ-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
CCC[C@](C)(CN)CCCCCCCC1CC1	2216862082	XGUVCNAUWKQIGA-INIZCTEOSA-N	239.447	4.892	0	10	BJAE	
CCC(CC)C[C@@H](CN[C@@H](C)CC)C1CCC1	2217125531	QFLCNFKZDONDEK-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
N[C@H](C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCCC1	2218356464	MGUKPFGVUXHCMK-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCC1(NCC2C[C@H]3CCC[C@H](C2)C3)CCCC1	2218360208	ZQAFJCMYRDZDJN-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CCCCCCC1CC1)C1CC2(CC2)C1	2218719909	CSRQTBAXJAOMKE-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2CC3(CCC3)C2)CC1	2221638040	MRFKYOMGMMTUPF-INIZCTEOSA-N	246.394	4.662	0	10	BJAE	
CC1=CC[C@H](CN[C@H]2CCCC(C)(C)CC2)CC1	2221668819	RIUIQGSPIWOUCU-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C)c1cccc(C2CCCCC2)c1	2221803478	WNHJOBNHGINDDX-CQSZACIVSA-N	245.410	4.795	0	10	BJAE	
NCC1(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCC1	2222973633	QWNPSVYJMGIBLY-PMPSAXMXSA-N	249.442	4.502	0	10	BJAE	
NCC1CCC(=CCCCCCCC2CC2)CC1	2223127030	ULXCLBDITBQHCZ-UHFFFAOYSA-N	249.442	4.812	0	10	BJAE	
CC[C@@H](C)[C@H](C)[C@H](N)c1ccc(C2CCC2)cc1	2223685786	AUWRDAMMKRJMFN-IGCXYCKISA-N	245.410	4.636	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)[C@H](C)c1ccc(C)cc1	2223968421	PYISVZHSFUUKDD-GDBMZVCRSA-N	247.426	4.513	0	10	BJAE	
CCCCc1ccc([C@H](CCCC)NC)s1	2242605141	QIXNTLZSWIZGEB-ZDUSSCGKSA-N	239.428	4.541	0	10	BJAE	
CCC[C@@H](CC)CNc1cccc(F)c1Cl	2244798168	WUUSXTRGFWHGKH-SNVBAGLBSA-N	243.753	4.717	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)CC(C)C	2244837956	RXXVPIBFSQBPML-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
CCC[C@@H](CC[C@@H](C)CCCC(C)C)NC	2244848343	ZGJSVDVTWRYDIY-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC1CC(C)(CC(=O)C2(C(C)(C)C)CCC2)C1	2246574025	RZGVNUBXIOWQHR-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNC1(C)CCCCCC1	2247112704	BINFDIPMTFSLNZ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)CC1=CCCCC1	2247460573	CWXFGRJGMVBBCV-HZPDHXFCSA-N	237.431	4.523	0	10	BJAE	
CC(=O)c1ccc(-c2c(C)sc(C)c2C)cc1	2248282859	IADMWMCECKQTJG-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CCC(C)(C)[C@@H](O)c1cc(C)c2sccc2c1	2248569350	RTPIALIQQHQSTK-AWEZNQCLSA-N	248.391	4.679	0	10	BJAE	
Cc1cc(NCC2=CCCCC2)cc(C)c1C	2249485520	COWNYLZSGFMXKM-UHFFFAOYSA-N	229.367	4.524	0	10	BJAE	
Cc1cc(N)ccc1-c1ccc(C2CCC2)s1	2250256219	QHWODTWRIACSEK-UHFFFAOYSA-N	243.375	4.573	0	10	BJAE	
CCC[C@@H](CC)CN[C@]1(C)CCCC(C)(C)C1	2250377644	GRHRGDNWKCYNCM-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CNCC[C@H](C)CCCC(C)C	2250492760	XKJLSTOJIJOXFV-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCNC1(C)C	2250529552	QOGUHBWHZDBMCS-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@]12CCC[C@@H]1CC2	2251211878	ODHOWKGCGTZFGN-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CNc1cccc(C2CCCC2)c1	2251219539	GGFHJEHPJRCZJJ-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCCC[C@H](C=C1CN[C@@H]2CCCC[C@@H]2C1)CC	2253795895	UWAMCNGXEVZAMM-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)NCC[C@H]1CCC[C@@H]1CCCCC12CC2	2253891032	UVEFNIGKCFTQKT-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(CN)CC23CCCC3)C1	2253939671	UWAJFROOWHPLHU-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC1CC2(CCCC2)C1	2254055651	MXXNEFNTXUEPCT-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC12CCC2)C1(C)CCC1	2254824363	GKOSMKHXSPCERP-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C1CC(C)(CC)C1	2255065811	XIQJYYQFCTZGND-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C[C@H]1CCCC12CC2	2255222753	BGZZXKLHFYJQFK-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](C)[C@@H]1CCC1(C)C	2256145519	YVABHSNNWWFNFP-AAEUAGOBSA-N	249.373	4.625	0	10	BJAE	
CCCC1(CNc2cccc(C(C)(C)C)c2)CC1	2257960336	XDNIOZVMTXBQCJ-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
Cc1cc(NCCC2=CCCCC2)cc(C)c1C	2258250942	CSFAWPAWTDGDMU-UHFFFAOYSA-N	243.394	4.914	0	10	BJAE	
Cc1ccc(C(=O)CC[C@]23CCC[C@@H]2CC3)cc1	2260576865	BFFHQGNQYAGIQQ-NVXWUHKLSA-N	242.362	4.538	0	10	BJAE	
C[C@](N)(CC1CCCC1)C[C@@]12CCCC[C@H]1CC2	2260644589	BUXPTZGOGBDYBK-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
C=CC=CCC[C@H](NC)C1CC(CC(C)(C)C)C1	2261200524	FESYUVSMNAEJND-GPANFISMSA-N	249.442	4.559	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1C[C@H]2CC[C@@H]1C2	2298610380	IUNYXJHBTFDXBB-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@@H](C)CC1CC1	2298919696	GZRSQNQOOVYXLI-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
Clc1ccc(C2CC2)cc1NC[C@@H]1C=CCC1	2300669327	HZLFPUJUPBQZMK-LLVKDONJSA-N	247.769	4.596	0	10	BJAE	
CCC(CC)CC[C@](C)(N)[C@@H]1CCC[C@@H](C)C1	2300680031	ZEMMLCJNKUPPIH-BMFZPTHFSA-N	239.447	4.747	0	10	BJAE	
CC(=CC[C@H](N)[C@@H](C)C(C)C)CCCC(C)C	2300874861	OVVPZNIIAOAHHS-HOTGVXAUSA-N	239.447	4.769	0	10	BJAE	
CCC(C)=CC[C@@H](C[C@H](C)CC(C)(C)C)NC	2300909146	KZOOQUAEHUBJGQ-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CC(=CCC[C@H]1CCCCN1)CCCC(C)C	2300916714	RKBVHITWCNCYFR-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CN(CC1CCC=CCC1)c1ccc(Cl)cc1	2301288802	KVNUZUVPQPRFOB-UHFFFAOYSA-N	249.785	4.523	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N[C@@]1(C)CCCC(C)(C)C1	2301965364	SMIPEUMSULZBJP-LZWOXQAQSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CC(C)(C)[C@@H]1C	2302136393	SEVLXCUQOCFZMB-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)CCCC1=CCCCC1	2302354643	UGIXCBNLYLVHLE-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
C[C@H]([C@@H](O)CCCC1=CCCCC1)C(C)(C)C	2302360901	GRWKCKBABWOVHF-HIFRSBDPSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC[C@@H]2CCCC[C@H]2N)C1	2302513425	OTZZMIFTQQUHKM-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCC(C)(C)C1)C1CCC1	2302900215	CNGXFVPDSLHJBB-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303512182	SSLRIJKUSQBACX-BYNSBNAKSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)C[C@@H](O)CC[C@@H]1CCC(C)(C)C1	2304353075	XWEHODXEQYSVTH-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2CCC2(C)C)C1	2304418800	TZSSBVBRVZSYRA-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C(=O)CC[C@H]1CCC(C)(C)C1	2304419647	CWFGTOMADDQSBC-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)CCC(=O)c1ccc(C)cc1	2307746858	JPEVXFXNZAWBPC-AWEZNQCLSA-N	232.367	4.784	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1CCCCC1(F)F	2307761531	SZKDDFSTWZIWJO-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)C1CCC(C)CC1	2307902757	MHSGANLLQWPDHS-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1CC2(CCCC2)C1	2307905236	WDJYZEYZDHEDGV-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2C[C@H]2C2CCC2)CC1	2311465897	BEIRGSYLUZPNSK-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H]1C[C@H]1C1CCC1	2311487337	XOSAGRNUOKBLSN-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)[C@@H]1C[C@H]1C1CCCCC1	2311525817	IQGMBDMXKJVUPV-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@](C)(O)Cc1ccc(C)cc1	2316235234	IJHOQOCNHUUQQJ-KRWDZBQOSA-N	248.410	4.505	0	10	BJAE	
CC=CC[C@@H](NCCC)C1(C)CCC2(CC2)CC1	2316561311	YXNMVKBUYPCYTN-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316739249	PKMKIBLXSJDZOI-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)Nc1cc(C)c(OC)c(C)c1	2317381996	MTIBCFYFLYZLFI-AWEZNQCLSA-N	249.398	4.693	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Oc1cccc2c1CCCC2	2317832269	UHLCTMMBRQCLMC-KBPBESRZSA-N	246.394	4.625	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)CCCC1CC1	2318564709	BMPHZDGLEQTDRE-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC(C)[C@H]1CCCN(CCCC2=CCCCC2)C1	2318595398	PHZIUCHOFGYOPV-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CC(=CC=C[C@H]1CCCC[C@H]1N)CCCC(C)C	2319205555	XGVCYSSPGZJISL-IAGOWNOFSA-N	249.442	4.833	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@H]2CC[C@H]2C(C)(C)C)c1	2320213125	INEOTFWKYKFXHK-LSDHHAIUSA-N	244.378	4.558	0	10	BJAE	
CC[C@@H](NC[C@@H]1CCC(C)=C(C)C1)C1CCCC1	2320232541	SBGCYWCZRWUADB-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(N)C[C@H](C)CCC1=C(C)C	2320453989	LFYPXKOCIMPERP-KCYZZUKISA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@H](C)C2CCC2)c1	2320577445	DPUQLHXMTLOYQO-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H](CC1CC1)C1CC1	2320817349	UQNQUTDKDUVIHR-VNQPRFMTSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cccc(C(C)C)c1F	2327808521	XMUXALFURDFXFM-GXTWGEPZSA-N	249.373	4.940	0	10	BJAE	
CCC[C@H](CC)C[C@H](CNC)c1ccccc1C	2328197518	UYWSEKREMFLFEM-JKSUJKDBSA-N	247.426	4.514	0	10	BJAE	
CCCCC[C@H](C)Nc1cccc2cccnc12	19999655	CCTWQIOFZXQRIU-ZDUSSCGKSA-N	242.366	4.616	0	10	BJAE	
CCc1ccccc1N[C@H](CC)c1cccs1	21011796	UEOOGSZODWYHLW-CYBMUJFWSA-N	245.391	4.874	0	10	BJAE	
CC[C@@H](Nc1ccc2sccc2c1)C(C)C	37282527	GLFZZPVLFCAQBR-CYBMUJFWSA-N	233.380	4.748	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1cccc(C)c1C	68863364	OGJSVMVXVMVYDA-NVXWUHKLSA-N	248.410	4.943	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@H](C)CCC	71085359	DKFOAOKPDDWSBG-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCC1CCC([C@@H](N)c2cccc(C)c2)CC1	87962458	IEMUWWHHGGNZSH-VMBOVVBDSA-N	245.410	4.601	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)C1CCC(C(C)C)CC1	87965137	MYTDVXVNHMGVDA-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@@H]1CCCC(C)(C)C1	88508607	QOWIPIHIMUDCPT-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H]1CCCC[C@H]1CC	111746834	RPZNGHLVJQYOKJ-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CCCCc1ccc2c(c1)[C@H](NCC)CC[C@@H]2C	136912090	OUJYCNMUNSCHTR-SUMWQHHRSA-N	245.410	4.577	0	10	BJAE	
CCc1ccccc1Sc1ccc(C)cc1	141918273	GWJPXROHGUONRB-UHFFFAOYSA-N	228.360	4.709	0	10	BJAE	
CC1CC(N[C@@H]2CCCC[C@H]2C2CCCCC2)C1	163656433	DXWJBBUTHIFDAY-MHVXSEJMSA-N	249.442	4.514	0	10	BJAE	
CC1CCC([C@@H](N)C[C@H](C)CC(C)(C)C)CC1	167848679	XLTZDWZNIWNRTP-SHWKFHJASA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccc(Cl)c(C)c1	168036603	RKDGMRMEOSWHKU-JTQLQIEISA-N	238.758	4.657	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)c1cccc(C)c1	203336501	NJENMLXECOSHNQ-RDJZCZTQSA-N	247.426	4.775	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1CCC[C@@H](C)C1	217913876	SXFSOMOWMLSHHM-QXSJWSMHSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@@H]2CCC[C@@H]2C)cc1	226542825	BALKLBVMMBIVKD-CLROSIBMSA-N	245.410	4.636	0	10	BJAE	
Cc1sccc1[C@@H](N)C[C@H](C)CC(C)(C)C	227913972	IGKKYVZGYIVZMU-GWCFXTLKSA-N	239.428	4.519	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H]1CCC12CCCCC2	230171048	OJLITVZISPOFMD-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
Cc1cc(N)cc(-c2cc(C)c(Cl)cc2C)c1	232055844	QAAZRLOILUJWNF-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCC[C@H](C)[C@H]1C[C@@H](c2ccccc2)CCC1=O	233339508	NIRYZIDHFRGDJA-CWRNSKLLSA-N	244.378	4.576	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)c1occc1C	233621531	VIYLARFURBWCSV-OAHLLOKOSA-N	247.382	4.519	0	10	BJAE	
CC[C@@H](C)[C@@H]1CNc2c(Cl)cc(Cl)cc21	234008339	VDOMAAIQQHJQPU-XCBNKYQSSA-N	244.165	4.549	0	10	BJAE	
CCC(CC)[C@@H](N)[C@@H](c1ccccc1)[C@@H](C)CC	253046191	PQRPCJNVDKYSHO-IAOVAPTHSA-N	247.426	4.580	0	10	BJAE	
CC1(C)CCC[C@H](c2cccc(C(C)(C)O)c2)C1	258348983	NRCWUTBHJODXCB-AWEZNQCLSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@H](C)NCC1CCCCCCC1	300796704	DCZPFANMKSNJBW-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@H](C)CC(C)C	302507237	BGVZCBDUZONPSB-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCC2CCCCC2)C1	304128375	QELBTAJLHZUJHO-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)CC1=CCCCC1	305919331	LMYIJPOLHUHOGH-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CCCC(C)(C)C)C1	305962714	XDCKSOWFEZPUOC-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
Fc1cc(C(F)F)cc2c(Cl)csc12	306824014	VIMIZZCWSKYKPA-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)c1ccsc1C	308035251	SHXZXWZSENRQPE-GXTWGEPZSA-N	240.412	4.552	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC1(CC)CCC1	309373614	QNFOMGMFPASOPH-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CC(C)Oc1ccc(NC[C@H](C)C(C)(C)C)cc1	310637037	AEMLYFYZELKNNU-ZDUSSCGKSA-N	249.398	4.568	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)c1ccccc1CC	310989899	VLAUAYWGWHYBLJ-WBVHZDCISA-N	247.426	4.726	0	10	BJAE	
C[C@@H]1C[C@@H](NCCCC(C)(C)C)c2ccccc21	313278959	GXZDISSASLULSM-CZUORRHYSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCC(C)(C)CC1)C1CC1	324513437	IWUFAOMKCIZKCY-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC(C)Oc1ccccc1NC[C@H](C)C(C)(C)C	380984891	FKYRLSYKNVGEOQ-ZDUSSCGKSA-N	249.398	4.568	0	10	BJAE	
CC[C@@](O)(CCCC(C)(C)C)c1ccsc1	382145896	RJNXLHMNJBDKLZ-CQSZACIVSA-N	240.412	4.562	0	10	BJAE	
CCN[C@@H](C)C[C@H](C)CCCCCC(C)C	383180997	MXOBNLQSSGKAJQ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
Cc1ccccc1[C@@H](CN)CCCCCC(C)C	383318326	XFGXUEBBEWRVGQ-MRXNPFEDSA-N	247.426	4.644	0	10	BJAE	
CC[C@](C)(CNCC(C)C)CC1(C)CCCC1	383792854	RIDZAHSILOFALZ-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCNCC[C@H](C)C[C@@H](C)C1CCCCC1	383947381	GDYDGGIQYMEKHI-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(c2ccccc2C(C)C)C1	385730844	OPTCTUZERAKYTO-YOEHRIQHSA-N	246.394	4.598	0	10	BJAE	
CC[C@@](O)(c1cccc(C2CCC2)c1)C(C)(C)C	395461506	JGXRQAGAARDWHY-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCc1c(C(F)F)cc(CC)c2sccc12	396165617	FAHIPGVXBDCHNN-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1c(S)cc(C(F)F)c2ccsc12	396250252	SOKXMPHUEDEAQT-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCCC1CCC(C(=O)CC2=CCCC2)CC1	401030763	MEPLHYPKJXWPSX-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
Clc1cccc2c1ccn2C[C@@H]1CC=CCC1	402220124	RDKIMTGYLQSEQV-GFCCVEGCSA-N	245.753	4.651	0	10	BJAE	
Cc1oc(C)c(C(=O)CCC(C)(C)C2CC2)c1C	405908918	YNGHCESXKMLLNR-UHFFFAOYSA-N	248.366	4.604	0	10	BJAE	
FC(F)c1cc(Cl)c(C(F)F)c(Cl)c1	575678009	QQHZWVVNNGZZLS-UHFFFAOYSA-N	247.018	4.869	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@@H](C)C1CCC1	692692593	JGHBQHPOCWNZEY-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H](C)c1ccccc1C	695063307	UMGZZRMLXUFELU-NVXWUHKLSA-N	247.426	4.513	0	10	BJAE	
CCC(C)(C)[C@H](C)NCCC1CCCCCC1	695108537	SMUBBHDASNPXKV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@@H]1C1CC1)C1CCCC1	696060643	MMZDDLODBFWPJT-IKGGRYGDSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C1CCCCCC1	696245957	BHSZWEKIGDLYSU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H](O)CCC1CCCCC1	696577329	XSSAPZLNAFIUAN-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1csc2ccccc12	697759056	PHZHQSZZKHOKNN-CQSZACIVSA-N	245.391	4.648	0	10	BJAE	
C/C=C/[C@@H](NCCC)c1cccc2ccsc12	704615152	YYQIWRSYUYEOQH-BOTMBNHJSA-N	245.391	4.518	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@H]2CCC[C@@H]21)C1CCCCCC1	707730953	GDOAEWRIJTZCMY-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@H](C)CC(C)C	708312548	IJQMJEBKUIFIPJ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H]1CCCCC1(C)C	709761484	ZORMDMGMAZZWJU-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)CCN[C@@H]1CCC[C@@H](C(C)C)CC1	710143324	NKCFDIPEMDEFSE-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@]1(N)CCC(C)(C)C[C@H]1C)C(C)(C)C	710724030	LZFPOLDIHSSRNU-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@]1(O)C[C@@H]2CCCC[C@H]21	712384022	IIFWQPJVVUIYGF-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc(NCC(C)(C)C(C)C)c1	713147188	FXRSKDUFBCNGBH-UHFFFAOYSA-N	233.399	4.904	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CC(C)(C)C(C)C)CC1	713205919	ZSEDKGJTPMTEQG-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@@H](C)CC(C)C	713684135	MRKSKJGUPJGUMP-FHQWLQQXSA-N	237.431	4.559	0	10	BJAE	
CCCCCC[C@@H]1CCC(C)(C)C[C@H]1NCC	717529428	AAKLQCTUASRRMT-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C(C)(CC)CC	721692209	LENPTQJYWVKWPF-ZIAGYGMSSA-N	227.436	4.747	0	10	BJAE	
C[C@H](N[C@@H](C1CCCCC1)C1CC1)C1CCCC1	723981710	KUHCODWUOUIPEQ-GUYCJALGSA-N	249.442	4.514	0	10	BJAE	
C[C@H](SCc1ccccc1)c1ccc(F)cc1	1640816137	CBXNSVRFOFCJDI-LBPRGKRZSA-N	246.350	4.820	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCC2CCC=CCC2)CC1	1658048683	OHZIISJEIGPBIO-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(NCCC(C)(C)C)c2ccccc2c1	1659826607	DDTMNHZMFIOLIF-UHFFFAOYSA-N	241.378	4.996	0	10	BJAE	
CCC(CC)c1ccc([C@@H]2CC2(F)F)cc1	1901881952	YNNYWLSKBGKTJY-ZDUSSCGKSA-N	224.294	4.713	0	10	BJAE	
CCC(CC)c1cccc(C(C)C)c1OC	1901882138	BJGLVQAPFKQFHA-UHFFFAOYSA-N	220.356	4.722	0	10	BJAE	
CCC[C@H](CC)CC(=O)CCC1CCCC1	1905433442	UZYKVPFYNGJZSI-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CCC)C1CCC1	1905454252	PZVKHQYFEQXQHD-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@]1(N)CCCC(C)(C)CC1	1910747871	MHFCFMIVXXTZSM-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](C=C(CN)C2CCCCC2)C1	1911844316	CRPVFNYFIMXBLO-LSDHHAIUSA-N	249.442	4.668	0	10	BJAE	
CC=CC[C@H](C)c1cc(Cl)c(C)cc1OC	1911994294	YCDQTJCYUYCDST-JTQLQIEISA-N	238.758	4.727	0	10	BJAE	
CCC(C)(C)[C@H](C)NC1CC2(CCCCC2)C1	1912710109	UWOGYKKNUNTLRB-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C1CC2(CCCC2)C1	1912731171	VECYPAWRPSYVQI-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CC(F)(F)CC[C@@H]1CCCCCCCC[C@H]1O	1913405605	UMSTXAANZHVFJI-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCCC=CCN[C@@H](c1ccccc1)C(C)(C)C	1914691020	NJUDCDXZAUDZCU-INIZCTEOSA-N	245.410	4.720	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCC2(CCCC2)C1	1916403263	WJFWIBBYLXLZKT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1N[C@H]1CCC2(CCCC2)C1	1916406799	UWRZOFCPYJFNQY-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](C)NCC1CC(C(C)C)C1	1921232021	VQCGVUXMPGCZOD-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](CC[C@H]1CC1(C)C)NCC	1921567520	KUWHAGGZPWKNBO-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@H]1CCCC12CCC2	1921605808	PKPNAKXPAJNESE-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCCC1)C1CCCC1	1925928898	ZVTYIHRXAUVFBG-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC(CC)C[C@H](N)c1cccc(C2(C)CC2)c1	1926385879	YLSVHAONWREBCW-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1cc(Cl)sc1C	1933560329	NKDNVHNEMCGILU-GZMMTYOYSA-N	246.803	4.570	0	10	BJAE	
CCCC[C@@H](CC)CNCC[C@@H](C)CCC	1937294617	VQCZGIYCHMLFJK-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H](C)[C@@H](C)NCC(C)(C)C1CCCCC1	1940762538	JMLMLXRHGVIYQO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)CC[C@H]1CC1(C)C	1940865469	YDZLEDLQJFZIMG-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@]1(CCCC2(C)CC2)CCCCCN1	1940876127	KDINKNQLEMEAHB-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]([C@H](CC)C(C)C)[C@H](C)[C@H](C)CC	1941266749	JGSPYAAJGJNHHC-KLHDSHLOSA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)CCCCCC1CC1	1941586271	JXEUPJUQMRDQBQ-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CCCNCC(CC)(CC)C[C@@H]1CCC[C@@H]1C	1944848735	HHVMECJSRQVCFA-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC(C)(C)C1CCCC1	1945381718	HLALUSRHZAFKLY-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H]2CCC(C)(C)C2)C1	1945582311	LTIVGFDTGVEPJJ-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](N)C12CCC(CC1)C2(C)C	1945634859	PGJSNSHHIWLVNX-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	1948587442	RZYIJCFUMBZABA-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCC2(CCCC2)C1	1949449836	BTCZYWQIXAXUMS-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](C[C@@]1(C)CCC[C@]1(C)O)C1CCCCC1	1949813720	HZVJJPHJBTUQMP-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
O=C(CC[C@@H]1C=CCCC1)CC1CCCCC1	1949918122	RHDAVNMGRYGYTG-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@@]1(CNCCC)CCC[C@@H](C)CC1	1950923262	SMZUUUABSOSOLM-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H]1CCC[C@H](C)CC1	1950930762	REFDAPVMQWGFMR-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H]1CCC[C@@H](C)CC1	1950931866	ZWBFICBRBYPBEW-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CNCc1ccc(C(C)C)cc1)C(C)C	1963165866	FZCAKRSBEKXKFQ-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
C[C@H](CN(C)CC1CCCCC1)CC(C)(C)C	1968508322	IVAAPMRTDGJCMT-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@@H](C)C[C@H]1C	1969583490	VRCVAKGHBYXBEG-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCCC1)Nc1ccc(CCF)cc1	1970101780	CMEMPQRHJZXDJQ-ZDUSSCGKSA-N	249.373	4.579	0	10	BJAE	
CCC[C@@H](CC)NC[C@H]1CCCCC12CCC2	1973671470	CTFGPXTUCKYWFS-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C1=C[C@H](CC2CC(C3CC3)C2)CCCC1	1974999439	ZQWPMUKJFJJGEQ-OPFPJEHXSA-N	204.357	4.559	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@]1(C)C=CCC1	1980475308	HBOKOVDNNPCGFW-ZFWWWQNUSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](O)c1cccs1	1980696753	SBIFOFSEIKZKBV-QWHCGFSZSA-N	240.412	4.778	0	10	BJAE	
CC1(C(=O)c2ccsc2)CCCCCCC1	1981425928	APFCZBYYQAHDIC-UHFFFAOYSA-N	236.380	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CC(=O)CC(C)(C)C1	1986218925	KCJVGCFVGMLOIB-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCCC1(CC(=O)c2cc(C)cs2)CCC1	1988432768	JWBAKYWXWAANFS-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCCC1(C[C@](C)(N)CC(C)(C)C)CCC1	1988466956	PFZYDFRLYQHLOE-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCCN(C)CCC(C)(C)C	1990850014	YQBPHSBCXIJVRT-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@](C)(O)C2(C)CCCCC2)C1	1996269752	MBWPPHGSXFIZJV-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCSc1ccccc1NCCCC1(C)CC1	1996564031	MARAIIHRCMGNJJ-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C2CCCCC2)CC1	1996593611	HKUFHKIMQDBQDN-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCCCC(CCCCC)N[C@H]1[C@@H](C)[C@H]1C	1998456443	BYZCLHQGECVUEZ-MIFYACCESA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@@H]1C=CCCCC1	2000484608	SOJXJGLAQPXZJG-HZPDHXFCSA-N	237.431	4.668	0	10	BJAE	
CCCC[C@@](CC)(CNCCC)CC1CCC1	2000500715	XKNSQCHIFJYZBC-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1ccc(C(F)F)o1	2002047450	YHDDMUROGBCZHI-VIFPVBQESA-N	244.281	4.616	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)CCCC2CCC2)C1	2002997384	CGCHJZNCQASFSD-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CC(CC2CC2)C1	2003491619	RMNRFUQSLLGFHV-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1(C2CCC2)CC1	2004537427	HAJWJDXNIGCEGV-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@]1(CNCC)CCCCC1(C)C	2005584406	WJISDPMTOWACJY-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCCC[C@H]2F)cc1	2006677523	NTFDUILMEPPPAG-CABCVRRESA-N	235.346	4.503	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)C[C@H](C)CC	2007804224	YRGZXFYHTHRMNF-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC=C1CCCCC1)CC(C)C	2007946804	NBTRGOSXMHMTDB-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCCNc1ccccc1C1(C)CC1	2009595526	KIRKYSMPZQDMHO-ONEGZZNKSA-N	229.367	4.506	0	10	BJAE	
CCCC[C@@H]1NCC[C@]1(C)C1(C)CCCCC1	2009769233	FJPPAWWQTOKWHC-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@](C)(O)CC(C)(C)C)CC1	2010719438	FKUGTBAKFZGWDF-BBRMVZONSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CC)CNC12CCCC1CCC2	2012150404	IPOGIMJOVXJDII-FHERZECASA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@](CC)(CNC(C)(C)C)C(C)C	2012440347	PUGLSJOTWYXPIN-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
C[C@H](NC1CCCCCCC1)[C@H]1CCC1(C)C	2014943518	VRXBSBAKCIJXRR-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)[C@H](CC(C(C)C)C(C)C)NC	2015277019	CXRJIMNLAXKTPG-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CCc1ccc(OCC(C(C)C)C(C)C)cc1	2015382864	GWEQJYVINYLNCV-UHFFFAOYSA-N	234.383	4.556	0	10	BJAE	
CCCC1(C[C@@](C)(O)C2CCCCC2)CCC1	2015640636	UOQWVWHTJOCEPL-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)C1(CCC(=O)C2CCCC2)CCC1	2017128542	DOZPHQCGBLPPKF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)=C(C)CN(C)[C@H]1CCCC(C)(C)CC1	2017460898	BTUHUODHJRJSBM-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)[C@H](C)CC(C)C)CC1	2017652908	MOCSDWCIAVLZCF-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCCC1(C[C@@H]2CCCCC[C@H]2NCC)CC1	2018987305	JFQSHCRLZVKCSO-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)CN(C)C1CCCCCCCC1	2019285037	GRNDUQJMTURCFJ-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H](C)CC(C)C	2023340841	XQTBNHBKVLWKPL-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)C[C@H]1CCCC(C)(C)C1	2024123848	NDWSFIFLONZWHG-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@]12CCC[C@@H]1C2	2026075757	YXOKHHMRXGLXET-SQWLQELKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC1CC(CC)C1	2026168127	XTFZPGCHIDQCSC-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
C=CC=CCC[C@H](CC[C@@H](C)CCCC)NC	2026169463	IOJAXMCQJSLZMZ-JKSUJKDBSA-N	237.431	4.703	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@H]3CCC[C@H]2C3)c1Cl	2026246287	XPEQHOOGDAGYMG-SGMGOOAPSA-N	249.785	4.639	0	10	BJAE	
CC(C)(C)CC(C)(C)c1ccc2occ(O)c2c1	2028120475	VUZIONXOKDKZQF-UHFFFAOYSA-N	246.350	4.852	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@H](CC(C)C)C(C)C)c1	2028258795	VMUOVKRIIVAMHW-OAHLLOKOSA-N	246.394	4.804	0	10	BJAE	
CC[C@H](C(=O)c1cccc(C2CCC2)c1)C(C)C	2028258848	VXJFDSOCKBGJRV-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
CC(C)CCC[C@H](O)c1ccc(C2(C)CC2)cc1	2028608421	KGQLJTBYFKVHLY-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1	2028963851	GAMDYOYTRMDDQA-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1NC1CC(C2CCC2)C1	2029284436	MTPIBKCDDQULFX-UHFFFAOYSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@@]1(C)C=CCCC1	2030354019	LGQKXPSHXPIPEX-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC1(c2cccc(NCCCCC3CC3)c2)CC1	2032245191	HKBFNCROLBGNQV-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CCC(C)(C)C2)c1	2033388286	SDCARXORSYRUNW-OAHLLOKOSA-N	244.378	4.819	0	10	BJAE	
CC(C)(C)NCC1([C@@H]2CC2(C)C)CCC=CCC1	2033635079	WVFSZVLZTXZPTD-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H]1CCC[C@@H](CC)C1	2033810250	HHDMGIJWEMGRSH-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
FC1(F)CCCCCCc2c1[nH]c1ccccc21	2035496732	SNZWEBXABIKMDH-UHFFFAOYSA-N	249.304	4.766	0	10	BJAE	
CC(C)(C)c1ccccc1OC[C@@H]1C=CCCC1	2035553802	DFQQDXOOHPVSLE-CQSZACIVSA-N	244.378	4.719	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCC1)C1CCCCCCC1	2035601996	QTRCJPCLMFZCEA-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2C=CCCCC2)CC1	2037273728	YBGLCCPHOOGDII-IXDOHACOSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)[C@@H]1CCC2(CCCC2)C1	2037572732	BMWCNGNDJZWCPJ-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](c1cccc(N)c1)[C@H]1CCC2(CCCC2)C1	2037690885	ADIMVNOGJHYBLP-ZFWWWQNUSA-N	243.394	4.733	0	10	BJAE	
O=C(CC1CCCC1)C[C@H]1CCC2(CCCC2)C1	2038108098	PAWRBQKDXWEHMY-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C1CCC(C2(CNC3CCC3)CCCCC2)CC1	2046219691	UEBZIHHVLKNFBT-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2CC23CCCCC3)c1	2047056932	WWFPJIRBUYMLAU-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
C[C@@](N)(CC1CCCC1)C[C@H]1CC12CCCCC2	2047063901	ZXSWMHFKODZVDG-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCC1([C@H](N)CC2CCC3(CC2)CC3)CCCC1	2049853353	DQERBXXKHZJAIN-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)CC1CCC2(CC1)CC2	2049854016	LBTWHHFYIPACCR-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
N[C@@H](CCC1CCCC1)CC1CCC2(CC1)CC2	2049861670	UVYCDCSZYAXAMK-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CCC1)[C@]1(C)C=CCC1	2049991480	HTJAPZQFYILIOL-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@@]12C=C[C@@H](CC1)C2	2050007171	PFMUSUSVNRBJLW-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC[C@@H]2CC[C@@H]21	2052310633	ZYWPKSNCQBXPQO-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)C2(C)CCC2)c1	2052353596	RLPYVSTVXDSENL-CYBMUJFWSA-N	245.410	4.802	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@H]1CCCCC12CC2	2053410036	CUTRIUUBOVTKGV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1CC(C2CCC2)C1	2056680017	OMBNMWDSCXBJMG-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)C1CCCCCC1	2056875702	JLSPGYQLCVFLPV-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC1(C)CC(N[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1	2058831272	JFRDXEYGOAPEAA-SFOJROILSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H]1NCCC12C[C@@H]1CCCCC[C@H]1C2	2059470829	UTMKNXDZPFOZBS-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@]1(N)CC[C@H]2CCCC[C@H]2C1	2062645487	FZSXNCMUHASRIE-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CC12CCC(CC1)CC2	2065285126	BLZJIGXUXCVRJO-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1CC12CCC(CC1)CC2	2065335523	QHFJZKWLOYMTSU-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)C[C@@H]1CC12CCCCC2	2068268135	COULSKOTKPCQNU-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC[C@H](C)C(C)C)c1ccc(C)cc1	2069014668	BGIISEZMSSTZDG-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@H]2CCC=CCCC2)CC1	2069517115	ILJJVAJWJZTMIU-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@@H]1C[C@@H]2CCC[C@@H]2C1	2070400942	ZRXOESWANLWNNC-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@H]1C)C1=CCC(C)(C)CC1	2071510944	LLHHQNBNFMXZOF-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)c2ccccc2F)CC1	2072702756	QOKFCBLLAIEWLH-JOCQHMNTSA-N	248.341	4.615	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)c2cc(C)co2)CC1	2072800318	CKNBNLIPAMQOPO-KKUMJFAQSA-N	249.398	4.584	0	10	BJAE	
CCCC1CCC(C[C@]2(N)C[C@@H]3CCC[C@H]32)CC1	2072802267	WJPTWEOUUHNFKR-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC2(CNC3CC3)CCCC2)CC1	2072803581	JRAGUVNXDHUCTM-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@](C)(NC[C@H]2CC23CCCCC3)C1	2073068103	OBLVEATVSWGFEI-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CN(C[C@]1(C)C=CCCC1)[C@H]1C=CCCCCC1	2074808362	FDPDMCDHUNPEJA-DLBZAZTESA-N	247.426	4.554	0	10	BJAE	
O[C@@]1(CC2=CCCC2)CCCC2(CCCCC2)C1	2075726301	ZCCHJZDEISRDNA-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CCCN(C[C@H]1C=CCCCC1)C1CCCCC1	2076586366	OWKNOOLEDBMYKF-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC=C(CC)[C@@H](NCC)C1CC2(C1)CC(C)(C)C2	2077184465	JMCMTHWQCYOVAE-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1C[C@@H]2CCCC[C@H]21	2077188960	CJTQFUPAAVGFSO-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
N[C@H](C[C@H]1C[C@H]1C1CCC1)C1CCCCCCC1	2079292917	APCHAYZDDBVXCJ-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CC(=O)[C@H]2C[C@H]2C2CCCCCC2)C1	2079489001	WLSJMNFPCXAUFG-BGHVQYPCSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1c(CC)cccc1CC	2079627788	VZDYFVXKWPLPSJ-HOTGVXAUSA-N	245.410	4.660	0	10	BJAE	
CC(=C[C@@H]1C[C@@H]1C1CCCCC1)CNC(C)(C)C	2079662178	TXGBSDJPUJRRHX-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)CCC2=CCCCC2)[C@@H]1C	2081139407	CGRUQDFMOSMBLN-BFYDXBDKSA-N	249.442	4.633	0	10	BJAE	
C[C@@H]1[C@@H](N(C)CCC2=CCCCC2)CCC[C@H]1C	2081139410	CGRUQDFMOSMBLN-VYDXJSESSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H](C)CC(=O)CC1CC2(C1)CC1(CCC1)C2	2083609144	PUUJWDMNYIINFQ-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC(C)(C)C1(C)C	2084372311	WJGPGSMVPXKCIT-CQSZACIVSA-N	245.410	4.794	0	10	BJAE	
CC=C(CC)c1ccc(F)cc1[C@@H](C)NCCC	2084709492	KSPJVQNMXDITQL-GFCCVEGCSA-N	249.373	4.700	0	10	BJAE	
CC1(C)CC(O)(CCCCCCCC2CC2)C1	2213576152	NFHDGUVHULUFCH-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
C[C@](O)(CCCCCCC1CC1)CC1CCC1	2213578938	BKDWWBQCEHTIQD-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
O=C1CCCCC[C@H]1CCCCCCC1CC1	2213580168	XTLOLVLVHKXISH-OAHLLOKOSA-N	236.399	4.886	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CCCCC1CC1	2214565490	NJTVRNZDGLTNBR-HOTGVXAUSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCCCC2CC2)C1	2214571946	YSHDXOOBEUBAFZ-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCSc1ccccc1NC[C@@H]1CC[C@@H]1C	2214951953	QORWLNYDBNNGMY-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CCCNC[C@](C)(CCC)CC[C@H]1C[C@H]1CC	2215267139	VJERAJMNVVLXQT-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CC(C)(C)CC)C1CC1	2217146019	VLVXBZBFMFGIQC-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CCC(NC2CC(CC3CC3)C2)CC1	2218478415	OORGVBUSOUORKH-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C[C@H]1C[C@H]2C[C@H]2C1	2218728274	VJBJPKNRTWBMTL-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)[C@@H]2CC[C@@H]2C)cc1	2220563265	UZIMBUPQZZSLHH-SWLSCSKDSA-N	244.378	4.603	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC[C@H]1C)c1ccccc1	2220659417	KHGDTICUTLWJHM-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
CCNCC1(CC2(C)CC3(CCC3)C2)CCCC1	2221039897	LUBXPIQUHIGWMQ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@H](CCC(C)(C)C)Nc1ncccc1C1CC1	2221398812	VOIMKEUCWQENBQ-GFCCVEGCSA-N	246.398	4.586	0	10	BJAE	
CC[C@H](NC[C@@]1(C)CC=C(C)CC1)C1CCCC1	2221642057	BBZTXUJZURJTSD-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
C1CCC(CC2(CNC3CCC3)CCCC2)CC1	2223589420	OKWOWABZDPDYQG-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](C)CC1(CNC2CCC2)CC2(CCC2)C1	2223591747	DDKVOWZVTQPEID-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@@H](C)c1ccc(C)cc1	2223955475	QLSMCCZRNIQCIW-GOEBONIOSA-N	248.410	4.676	0	10	BJAE	
CCc1cc(Cl)ccc1C(=O)C(C)(C)CC	2243665642	SWTRCRYJBCKJSV-UHFFFAOYSA-N	238.758	4.521	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC1(C)CC(C)C1	2246555212	CCOWURBXZQTDOI-HWOWSKLDSA-N	239.447	4.713	0	10	BJAE	
CC(C)(C)[C@H](N)CCC[C@@H]1CCCCC12CC2	2246604849	AMHBEKJJKCORBM-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@H](CC)CC[C@@H]1CCC[C@H](C)C1	2246664802	JJWZTGXLZMIYMS-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC[C@H]1CCC[C@H](C)C1	2246726291	LCONKZZJMNOYDG-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H]1CCC12CCC2	2247435326	UCLKMIJAKQMFQL-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)CCCC(C)C)C(C)C	2250468379	CODKREGCGLCJMC-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)[C@H]1CC[C@H]1C	2250478767	MAAHUHHVADUBRC-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](C2CCCCC2)C1=O	2251713648	SUODWAFRIUROFP-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@H]1C(=O)C(C)(C)CCC1(C)C	2251718523	LYDMZXRFEXGQBF-ZDUSSCGKSA-N	236.399	4.764	0	10	BJAE	
CCC1(C[C@H](C[C@@H]2CCCCC23CC3)NC)CC1	2253809326	FSOJSPUYLLPAOD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H]2CCCCC23CC3)C1	2253831291	IEGZZKYVWWYLIR-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C(=O)CC[C@@H]1CCCCC12CC2)C1CC1	2253838778	KRXAJLYQORSPNY-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC([C@@H](N)CC[C@@H]2CCCCC23CC3)C1	2253841902	YYXPZRBGVLHESL-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)CC1CC2(CCCC2)C1	2254121124	CEOUUKHBMLUYCD-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)c1ccccc1F	2254535961	POYILNONERPKKQ-CHWSQXEVSA-N	248.341	4.615	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@@H]1C)C1(C)CC=CC1	2254591945	ZPIUICAMPBOVNJ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCCN(C[C@@H]1CCC1(C)C)c1ccccc1	2254972437	COPZVUPWUJYFHH-HNNXBMFYSA-N	245.410	4.729	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@H](N)CC2=CCCCC2)C1(C)C	2255051414	NCYHDUCWSIDDRW-FRFSOERESA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)C[C@@]12CCCC[C@H]1CC2	2260681991	FDPVINGHNBIASK-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCCCN(CCC(CC)CC)C1	2300680495	FBXFESFAGGBOEU-MRXNPFEDSA-N	239.447	4.715	0	10	BJAE	
CCC(CC)CC[C@H](CCC1CCCC1)NC	2300683344	IPKBROTZYFSZJW-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@]1(O)CC(C)(C)CC[C@@H]1C	2300684286	SEHIJOMXNADEQI-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCC(C)=CC[C@@H]1C(=O)C(C)(C)CCC1(C)C	2300891812	VGKZHSMJGYLLJS-CYBMUJFWSA-N	236.399	4.764	0	10	BJAE	
CCC(C)=CC[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2300909921	UGCGTERVDBBECR-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
OCC1(CCC2CCCCCC2)CCCCC1	2301138111	QTPVPMPSOJMBMR-UHFFFAOYSA-N	238.415	4.680	0	10	BJAE	
C[C@](N)(CC1CCCCCC1)CC1CCCC1	2301142447	JOIUXVWYKWTKMC-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
Cc1c(N)cccc1SCC1CCCCCC1	2301248280	YEDRKLSHHHCEPZ-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H]1CCCCCCCC1=O	2301835275	FBKDGWAZBBQXRG-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@@H](C)[C@H](C)C(C)C	2301841100	SKASFUJLGZGCSE-OWCLPIDISA-N	241.463	4.721	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H](N)CCC1=CCCCC1	2301907583	KKBXPFBGXGAFRT-LZWOXQAQSA-N	237.431	4.523	0	10	BJAE	
CC1=C[C@@](O)(CCCC2=CCCCC2)CCC1	2302330905	HDKMEUAOPQESTP-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)CCCCC1CC1	2302578466	ZTFVBASQHZXTAI-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)CC[C@H]2CC2(C)C)C1	2302879649	CGBAQSRZRNDMOZ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CNC(C)(C)C(C)(C)C)CC1	2303600429	ILPUUEBDMWASKG-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(NCC[C@H]2CCC(C)(C)C2)c1	2304422154	GAEYLGOESXNWKH-CQSZACIVSA-N	231.383	4.623	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1(C)CCCCCC1	2307816593	GOLOAYOCQWNZCC-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
N[C@@H](C1CCCCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309181505	BNWPBDIDVQNNTB-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C[C@@H]1CCC[C@@H]2C[C@H]12	2309959949	IXTKFIDLCYSQHQ-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CC[C@@H]3C[C@@H]3C2)CC1	2311022256	JHVHTNHZATVITD-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](C[C@@H]1CCC[C@H]1C)N2	2312640725	UMWQDDQKVVFTJG-YCPHGPKFSA-N	243.394	4.548	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)C1CCCCC1	2312903609	RUQSNRCNMMDRCK-LQKXBSAESA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1C[C@@H]2C[C@H]1C[C@H]2N	2313233936	OPWDQKOKOUIEHL-XLNGHYISSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C(CC2CC2)CC2CC2)C1	2313628201	DNKDXMZCINARDV-CQSZACIVSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CCC[C@@H]2C[C@@H]21	2315880374	CDWBGZYYGYTVHV-OWCLPIDISA-N	243.394	4.719	0	10	BJAE	
CC(=CCN[C@@]12CCCC[C@H]1C2)CCCC(C)C	2316498189	ZZQNKHIDJGUUBF-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@H]1CCCC12CCC2	2316502657	LKQQFDIGGSNAKO-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C(=O)C1	2317009552	XOJHOBFRJKVFPE-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317209305	PZQDBLAWCIMOFL-VQHPVUNQSA-N	249.442	4.523	0	10	BJAE	
CC(=C1[C@@H](CN)CCCC12CCC2)[C@H](C)C(C)C	2317820115	MHLFYXDFEMKELW-UKRRQHHQSA-N	249.442	4.524	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CCC=CCCC1	2318570107	VOSADGFSMQCXJE-QGZVFWFLSA-N	247.426	4.875	0	10	BJAE	
C[C@H]1CCC2(CC2)N(CCCC2=CCCCC2)C1	2318598279	QUUZWXKQIQQISQ-HNNXBMFYSA-N	247.426	4.532	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1CCC1C[C@H]2CCC[C@H](C1)C2	2319001773	WCSNUUNMGXXFCL-XJNFMUPTSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2CCC(C)(C)C2)CC1	2319132847	DPXRKIXRSNNRLK-WMLDXEAASA-N	248.410	4.908	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCCC[C@@H]3C[C@@H]32)CC1	2319254011	ZLONIJUQALQUTK-QTPCEWDRSA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@@](N)(CC23CCC(CC2)CC3)CC1	2320391491	UIFKIFHOMZSHIA-OFLPRAFFSA-N	247.426	4.565	0	10	BJAE	
C[C@@]1(N)C[C@H]2CC[C@H]1C[C@H]2CCCCCC1CC1	2327774287	QBKWOMPRILTWJG-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCCCCCc1ccc([C@H](C)CCNC)cc1	2327902537	GHCXXCYBSIJSQD-OAHLLOKOSA-N	247.426	4.522	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1cc(C)cc(C)c1C	2328273683	CVUORJLJQMPVKL-NVXWUHKLSA-N	248.410	4.862	0	10	BJAE	
CC[C@@H](Nc1ccccc1C)c1cccs1	21027475	CPFIBIUOYOMLJA-GFCCVEGCSA-N	231.364	4.620	0	10	BJAE	
CC[C@@H](C)[C@H](N)c1ccc(C2CCCCC2)cc1	21815696	OBDIGBYQOIFCEV-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CCC(CC)N[C@@H](C)CC(C)(C)c1ccccc1	37186968	GMEKSOGSXOBEHR-AWEZNQCLSA-N	247.426	4.521	0	10	BJAE	
CCC[C@@H](N[C@H](CC)C(C)C)c1cccs1	49541658	AMNIGKSCENTKPR-CHWSQXEVSA-N	239.428	4.614	0	10	BJAE	
CC(C)/C(=C\CCCN)c1ccc(C(C)C)cc1	71560206	RUUGUFCZQCAQIL-REZTVBANSA-N	245.410	4.588	0	10	BJAE	
CCCCCC[C@@]1(O)C[C@@H](C)CC(C)(C)C1	83502609	CZZUAUPLTYQQSZ-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CSc1ccc(NC[C@@H]2CCC[C@H](C)C2)cc1	89586517	YSDSOEXCNICOAR-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCCCC2(C)C)c1	94274147	ILNXAARTADPFTC-HNNXBMFYSA-N	231.383	4.684	0	10	BJAE	
CC(C)CNCC1(CCC(C)(C)C)CCCC1	110202134	IEUASXJTJPSJGV-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1cc(F)ccc1C	111746103	NHJHGJYOOGDLSF-TZMCWYRMSA-N	248.341	4.533	0	10	BJAE	
CCCCCC[C@@H](CNC1CC1)C1CCCC1	128292394	BTWBOOBTEXYYKI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](CC)(CO)C1CCCCCC1	129991685	VAKACVOIAZSTRH-OAHLLOKOSA-N	226.404	4.536	0	10	BJAE	
Cc1cc(F)ccc1-c1nc(C(C)(C)C)cs1	131919513	XIJXNIATWCVLDZ-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2ncc(C(C)C)s2)C1	132190066	OWWRDIRNVYBXSV-VXGBXAGGSA-N	237.412	4.950	0	10	BJAE	
CCCN[C@@H](CCCCC(C)C)C1CCCC1	133186054	BJEICZMHQYXSNI-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](NCC)c1sccc1C	133712575	DBMPYFSYNGPZFQ-CYBMUJFWSA-N	239.428	4.678	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@H](C)CCN	144174895	ALJKZCYRWUOLTM-CABCVRRESA-N	227.436	4.604	0	10	BJAE	
CC(C)C1CCC(N)(C2CCCCCC2)CC1	167682384	XIEPHBMMYCOPKJ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](O)c1ccccc1Cl	168887616	BUDXTLRTGILVSH-AWEZNQCLSA-N	240.774	4.590	0	10	BJAE	
CCCN[C@H](CCC)[C@H](CC)C[C@@H](C)CC	212779746	BYLHCSDUNSTNEV-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CC(C)=CCC[C@H](C)CCNCc1ccccc1	223085969	GFTCLQGVDYQHHZ-INIZCTEOSA-N	245.410	4.549	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CC[C@@H](CC)C1	227441219	LUVWPGGZLRQMRP-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@@H](O)C(CCC)CCC	229183854	DAIQJNXTSVTGOF-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
CCCCC1CCC([C@@H](N)[C@@H](C)CCC)CC1	232927489	DYSGYPADZITNRK-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
CCCCc1c[nH]c2ccc(C(C)(C)C)cc12	233007680	LKONHHMADHPQGD-UHFFFAOYSA-N	229.367	4.808	0	10	BJAE	
CCC[C@@H](C)Cc1c[nH]c2c(Cl)cccc12	233273761	OVZQWGUVSVYYLA-SNVBAGLBSA-N	235.758	4.800	0	10	BJAE	
CCN[C@@H](CC(CC)CC)c1c(C)cccc1C	233525030	BULFVICMLSJCHB-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2ccc(C)cc2C)C1	235398856	KIEAMZRNEVOOLR-BBRMVZONSA-N	243.394	4.708	0	10	BJAE	
C[C@H]1CCC[C@H](c2c[nH]c3c(F)cccc23)C1	235730055	PFYINLCLOYYMGR-QWRGUYRKSA-N	231.314	4.601	0	10	BJAE	
CCC[C@H](CC[C@H]1CCCC[C@H]1CC)NCC	251106352	FLTDIMLNRPXYEU-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)(C)C)[C@H](C)CCC	300460465	AUXKYWKENYKMHR-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCC23CCCCC3)CC1	300574505	NVUHVUWUXZUERF-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1ccc(C(C)C)cc1	302427957	UXXBPOLILWRTBD-WMLDXEAASA-N	248.410	4.916	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H]1CCc2cc(N)ccc21	302647417	VCQYGROLPPJYHZ-SRCQZFHVSA-N	243.394	4.515	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](C[C@@H](C)CC(C)C)C1	306019572	YESZKFOMKQTCHP-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCCc1ccc(NCC2(C)CCC2)cc1	310544705	UNOWZQMCTXPDPP-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCC1(CC2(CN)CCCCCCC2)CCC1	310546457	VCJKNSRLKWEAAZ-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C(C)(C)C(C)(C)C)C1	310577933	QEUMZMLWTCYHMO-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CCc1ccc2nc(C(C(C)C)C(C)C)[nH]c2c1	310886669	WOZUFMDHQDYJPV-UHFFFAOYSA-N	244.382	4.521	0	10	BJAE	
CCC1(CNC(C)(C)C)CCCCCCC1	318215431	HDIXFYYJTAVOBV-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)C1CCC(C(C)C)CC1	319797089	IVCWYRMJGHBDKZ-LMRVLLHPSA-N	238.415	4.700	0	10	BJAE	
CCC[C@](O)(C1CCC1)[C@@H]1CCCC[C@H]1CC	322826371	HXUYIBMDXDAMSB-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2cccc(C)c2C)CC1	328175064	AHCSMZMOLMWUOH-SHTZXODSSA-N	244.378	4.703	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)C1CCCCC1	383312021	VZSZLTOEKLDLGE-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](Nc1cscc1C)c1cccc(C)c1	387283391	GOMBAVXCVKQKHW-CQSZACIVSA-N	245.391	4.928	0	10	BJAE	
CN[C@@H](CCCCCCC(C)C)C(C)(C)C	394769856	SVMCKHYLNXEGPZ-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC1(C)CCC[C@H]1NCCCC1CCCCC1	395143384	AJZHKJNTVOSUBV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CSc1ccc(C(F)F)c2sc(C)cc12	396411845	USMZOKDGRFAERA-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@@H](C(=O)c1cccc(C2CCC2)c1)C(C)(C)C	399227724	YFZVDEMTDVXYDZ-LBPRGKRZSA-N	244.378	4.819	0	10	BJAE	
CCc1cc(NCCC(C)(C)C2CC2)ccc1C	406103302	JCPRIHZYLFTDFI-UHFFFAOYSA-N	245.410	4.796	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(O)CC1CCCC1	689771276	YXMSXQGRTFYJTM-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCCC[C@@H]1CC)C1CC1	691039001	ORDCDOMZXIBBJN-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CN[C@H]1CCCCC[C@H]1C(C)C	691164490	IJGAFINHFHPDMZ-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1cccc(C(C)(C)C)c1	691654113	RZWMGAHILDEJFO-HNNXBMFYSA-N	247.426	4.810	0	10	BJAE	
C[C@@H]([C@H](N)c1ccc2sccc2c1)C(C)(C)C	691870186	ZVBKNYIDJWEBRQ-HZMBPMFUSA-N	247.407	4.583	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1C=CCCCCC1	694669133	CRRWLWGTAUJYFH-WBVHZDCISA-N	249.442	4.824	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CCC2(CC1)CC2	696603439	XCONNJJVFFMDGY-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCC(C)(C)CC)[C@@H]1C	696699835	BKYUXUKJRUTXBZ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C1=CCCCC1)[C@@]1(C)CC[C@@H](C)C1(C)C	699009973	FNRVSGLNZQFBDB-FRFSOERESA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Oc1cccc2sccc12	704931431	BZIYYWSSDNZSIS-YPMHNXCESA-N	246.375	4.859	0	10	BJAE	
Nc1ccc(Cl)c(-c2ccc(C3CC3)s2)c1	708032653	QYJHMERHUOESJC-UHFFFAOYSA-N	249.766	4.528	0	10	BJAE	
CCC[C@@H](CC[C@@H](C)CC(C)(C)C)NCC	709102289	LUHJYVDILQMJQO-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@H](CN[C@@H]1CCCCC[C@H]1C)CC(C)(C)C	709129864	UHOLZNZTJFKJON-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H](C)CC(C)(C)C	709265053	UESCMNJRZJMUCC-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CCC[C@](N)(C[C@H](C)C(C)(C)C)[C@H]1CC1(C)C	710738319	PCNVXJZOQQRBTO-XEZPLFJOSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC1CCC1)CC(C)(C)C(C)C	713269859	VIEIUVXATSSOIL-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1(CC(C)(C)CC)CCC[C@H]1C	713338347	IVLULJQJHJHNLK-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C(=O)CC(C)(C)C(C)C)c1ccccc1	713370472	DGAJXWVLUFHHFX-OAHLLOKOSA-N	246.394	4.822	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@H]2CCCC[C@@H]21	714310498	HTURUGLXOZQKAH-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC[C@@H]2C[C@H]2C2CC2)C1	714836023	LGLIGJNGSSOHGO-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1cc(F)ccc1C	718525733	IZVSROCNXQSZRA-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1c(C)cc(C)cc1C	718628310	ZSHAKPJERNRJIG-MRXNPFEDSA-N	245.410	4.748	0	10	BJAE	
CC(C)=C(C)CCc1sccc1Cl	718738543	HZMUVYMLKJZMQJ-UHFFFAOYSA-N	214.761	4.690	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCCCCC1(C)C	718989458	NAQKWPMAYLVTPE-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@](CC)(CN)C1C[C@@H](C)C[C@H](C)C1	719378290	UGXPAAQVBSHFFD-OFQRWUPVSA-N	239.447	4.604	0	10	BJAE	
C1CCC(CC[C@H]2CCNC23CCCCC3)CC1	721035732	HANJLHVSWRXALD-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(C)c(SCc2ccccc2C)c1	1643472799	BYPULMYDJQWVIF-UHFFFAOYSA-N	242.387	4.904	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N(C[C@H](C)CC(C)(C)C)C1	1643848962	JSIMBGGMXXBQLH-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
C/C=C/CCCc1ccc(Cl)cc1C	1885363554	PJTDEETWBFZRPY-ONEGZZNKSA-N	208.732	4.547	0	10	BJAE	
CCCCCC[C@](C)(N)CCC[C@@H]1C[C@H]1C	1896072827	RSRQTPVGCCTKQP-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CCC(=O)CC[C@H]1CC1(C)C	1900702961	LIFRCUOUMWTOKS-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)c1cccc(C(F)(F)F)c1C	1901881302	NESCQQVWLMXENN-UHFFFAOYSA-N	230.273	4.917	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1c1c(F)ccnc1Cl	1903370596	SEFVKGYBOVTLGY-NXEZZACHSA-N	241.737	4.558	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)C(C)(CC)CC	1908578048	OYDNSDVZAVSYJD-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(CCC[C@@H]1C[C@@H]1C)C1CCCC1	1908583213	PIWKTVFWYIZVIO-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C[C@@]12CCCC[C@@H]1C2)NCCC	1909895192	YCYFJPLKIRRNMO-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](C)(CC=Cc1ccccc1)CNC(C)C	1912050569	XPNVXEOWPRRMJD-KRWDZBQOSA-N	245.410	4.504	0	10	BJAE	
CCC=CCN[C@@H](c1cccs1)C1CCCC1	1912099795	QEBPRASGWVITGE-OAHLLOKOSA-N	249.423	4.535	0	10	BJAE	
CCCNCC1(C2CCCC2)CC2(CCCC2)C1	1912563269	FQYDKWAFQUEKMX-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1N[C@@H]1CCC2(CCCC2)C1	1916404728	BZZDIUVVTNXKQF-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@@](C)(N)CCCC(C)(C)C	1920193524	KNSOBUKDZUXWJN-OAHLLOKOSA-N	227.436	4.891	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@@H]1CCCC12CCC2	1921627825	QZNWMOHZVBXGLA-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
NC[C@@]1(CCC2CCCCC2)CCCC12CCC2	1921656031	CIEBFEUKNANQRA-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](C)C2CCCCC2)cc1F	1924099700	SIWLKOCRWDIMDE-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CNC[C@]1(C[C@H]2C=CCCCC2)CCCC[C@H]1C	1925803690	VBSCYDKFDQDREY-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC(=C(F)F)c1cc(Cl)ccc1Cl	1927563225	OLDGWOCYAUTROY-UHFFFAOYSA-N	223.049	4.621	0	10	BJAE	
CCc1cscc1-c1nc(C(C)C)cs1	1932994009	FEVMEXHXABCYIR-UHFFFAOYSA-N	237.393	4.557	0	10	BJAE	
Cc1ccc(O[C@H](C)CCC(C)C)cc1C	1937175226	WAIZDUBOFUKVCJ-CQSZACIVSA-N	220.356	4.507	0	10	BJAE	
CCCCC[C@]1(CO)CCCC(C)(C)CC1	1939894533	DNPFKKLIXDPJOV-HNNXBMFYSA-N	226.404	4.536	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CC1(C)CCCC1)NC	1941266005	YVUOSDYDAROVBZ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(=O)c1ccc(-c2csc(CC)c2)cc1	1942108607	CAKAPRDANBELDY-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CCCC[C@@H](C)NCC1(C2CCCCC2)CC1	1942576472	AMFBJMROHKEEFL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CC(C)(C)CC2(CC2)C1	1943081955	HPSOWEQNEGUQBO-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CN[C@@H](CC(C)(C)C)C(C)(C)C1CCCCC1	1944660713	KUTLENDZJPEEEU-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)[C@@H](C)CCC	1944844832	CKIDPAIDANNHTE-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)C[C@@H](C)CCC1=C(C)C	1948964879	SFODBMARCRAMIK-DZKIICNBSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C2=CCCCC2)CC1	1948968064	QYBDSBBRVDDMFH-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CC(C)CCC[C@H](N)[C@@H]1CCC2(CCCC2)C1	1949552260	QASYHUASTCVVSI-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC1CCC(CO)(C[C@@H](C)CC(C)(C)C)CC1	1950912586	YUSXXZASAFURDU-BBBYJDLNSA-N	240.431	4.638	0	10	BJAE	
CC=CC[C@@H](C)c1cc(C)ccc1OCCC	1951308162	ATEXUJKKIBLFCJ-CQSZACIVSA-N	232.367	4.854	0	10	BJAE	
Cc1cccc(C)c1NCC[C@H]1CCC[C@H](C)C1	1968351738	MRWWQSQEPXWAJN-XJKSGUPXSA-N	245.410	4.932	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@@H]1CCC2(CC2)C1	1968551509	UKDPMUZHIHXCGN-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
Cc1cc(NCCC2(C)CC2)c(C)cc1Cl	1969317953	UKDFKKDBMLJEDL-UHFFFAOYSA-N	237.774	4.559	0	10	BJAE	
CC[C@H](NC(C1CCCC1)C1CCCC1)C1CC1	1971952466	TZVYJYBWMXAESF-INIZCTEOSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC1(C)CCCCC1	1976003302	KYOHNPMPWUGLJG-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](CC)CCC(C)C	1986936799	GTYFARGNSJBZQR-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@H](O)CCC(C(C)C)C(C)C	1988262384	KURSQWAXLVCPNX-CQSZACIVSA-N	228.420	4.636	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H](C)C(C)(C)C	1988779601	AMDLJVWMKPVBSJ-ZFWWWQNUSA-N	225.420	4.523	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C(CC)CC)CC1	1989780291	QXBMRVWUMBFOBS-MQMHXKEQSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)N(C)C1CCCCCCCC1	1990821128	NHUNCLLPYUEHIX-AWEZNQCLSA-N	225.420	4.610	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](C)C1(C)CCCCC1	1995974497	FHVGDHSBIRRBGZ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1([C@@](C)(N)CCC2CCCC2)CCCCC1	1995987220	SCBOJBPRJFZAEG-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](Nc1ccccc1F)C1(C)CCCCC1	1995988806	QJVFNDQYTKBIBD-GFCCVEGCSA-N	235.346	4.597	0	10	BJAE	
CC1(C)CC[C@H](N[C@]2(C)CCCCC2(C)C)C1	1997430293	WKIHGPXDIQUCBR-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CC=CCC1)C1CCCCC1	1997603781	IAGCZGFSEZCBJA-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC1CC(C(C)(C)C)C1	1998236566	LOEKXCTWRWLHGJ-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CC(C)(C)C2)c(C)c1	1998658195	PSMUBBICIYBBAI-ZDUSSCGKSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@](O)(CC)CC1[C@@H]2CCCCC[C@@H]12	2002202538	PRGKXJURHRIJKG-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC)CC[C@H]1CCCC2(CC2)C1	2003218141	PDQDMDOEZPINSL-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC1=CCCCC1	2004232568	GMUFVWLILUORST-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O	2009593623	NXYSDSQKECDWLT-ILXRZTDVSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@]1(CC2CCCCCC2)CCCN1	2009771489	TWCDTFQAJMGAKL-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)C1=CC[C@@H](CC)CC1	2010721107	ZAHOHOXUMBMBCU-SQWLQELKSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@@H]1CCC[C@@H](C)C1	2011247575	BLWQKCSAOZQDDC-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CNc1ccc(C(C)(F)F)cc1	2012750654	XCYUIMMPTWTYIA-UHFFFAOYSA-N	241.325	4.646	0	10	BJAE	
CCC[C@@H](CCCC12CCC(CC1)C2)NCC	2012836139	JPYDXJFBQRNNGZ-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCCC[C@H]1CC	2013264815	QCKGVAOSIRFAPN-BZUAXINKSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)CCC(C(C)C)C(C)C	2015332709	AAXVDUASUHCHCX-GDBMZVCRSA-N	242.447	4.738	0	10	BJAE	
CC(C)C(CCC(=O)[C@H]1CCC1(C)C)C(C)C	2015390495	MEVNVJYEIWZUJZ-CQSZACIVSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](CNCC(C)C)CC(C(C)C)C(C)C	2015413308	UKEHEBXJACQFOM-HNNXBMFYSA-N	241.463	4.577	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@H]1CC(C)C	2016144103	IIJMHKPEBJKQPL-HRCADAONSA-N	237.431	4.536	0	10	BJAE	
C[C@H]1CC[C@@H](CC2(C(C)(C)C)CCC2)C(=O)C1	2017125208	ZILMJPBSQVFLMP-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C(C)=C(C)C	2017486961	NRKTZNKBDPTDFE-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCCC[C@H](O)C2)CC1	2017714097	DKAWWOZUAMXGEU-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(C)CCCCCN2)CC1	2017728886	QCJWUYVYHNDZKD-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CC[C@H](C)C2=O)CC1	2017772107	NQCCDWZLRGNPGT-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H](C)CCC(C)C	2019343547	BCEWJEPEUCHJOR-INIZCTEOSA-N	241.463	4.959	0	10	BJAE	
CCN[C@H]1[C@@H](CCCC(C)C)CCCC1(C)C	2020361872	TZAMAIZAMIBUTA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN(C1CCCCCC1)[C@@H](C)CCC(C)C	2020507109	AOCFPKUENNUBAG-HNNXBMFYSA-N	239.447	4.856	0	10	BJAE	
CCCC(CCC)N[C@@H]1C[C@@H]1C1CCCCC1	2022436238	SJHGORVUCPKJLD-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)C[C@H](CC)C(C)(C)C	2022487106	PRDVNNIPZVTAFC-KBXIAJHMSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H]1CCC(C)(C)CCC1=O	2022559062	BKLQGCCIUGXFSN-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccccc1OCC(F)=C1CCC1	2023195979	SYZTULTWYPGXPE-UHFFFAOYSA-N	234.314	4.596	0	10	BJAE	
C[C@@H](CC1CC(C)(C)CC(C)(C)C1)C[C@@H](C)N	2024092418	QZVSMJRLESCCRX-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
CCC1([C@H](N)C[C@H]2CCCC(C)(C)C2)CCC1	2024093551	CLDCUTKMDAFFBF-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](O)C2(C)CCCC2)C1	2024124894	RGTXOTAZESKFCI-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC1CC(C[C@H](O)CCCCCC2CC2)C1	2025346807	YJCQTPPICXLFKE-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)Cc1coc2c3c(ccc12)CCC3	2026536626	VRDHZBKMXSPPCB-NSHDSACASA-N	228.335	4.510	0	10	BJAE	
CCCN[C@H](CC1(C)CCCCC1)c1ccoc1	2027301953	OSAMSRZFMRBMNC-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CCNC[C@@]1(C2CCCCCC2)CC=CC[C@@H]1C	2027926157	LHWIHIOURKGGEG-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)c1cc(C)co1	2028625988	OUHJNHNRLLSWRT-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CN[C@H](CCCCCC1CC1)c1ccccc1C	2028636403	IIDXFYRLEXNKIH-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](CC2CCC=CCC2)C1	2028872192	AUYSSPFXWSNXIB-CVEARBPZSA-N	248.410	4.764	0	10	BJAE	
C1=C[C@@H](NC2CC3(CCCCC3)C2)CCCCC1	2028881468	QLUZOKUOADSPKH-OAHLLOKOSA-N	247.426	4.578	0	10	BJAE	
CC1(CCCN2CC[C@H]2C2CCCCCC2)CC1	2031762541	SIZORKJIDDHGAN-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1C[C@@H](N[C@]23CCCC[C@@H]2CCC3)CC[C@H]1C	2031798960	QLDURPRVZTVILO-ALYAQQCSSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@H](C)c2ccc(N)cc2)C1	2031800890	IUAKVYXMGIJMOY-LJISPDSOSA-N	245.410	4.835	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@@]12CCCC[C@H]1CCC2	2031806396	XPXZTLSYIZEEKC-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(=O)c1cccc(C2CCC2)c1)C1CC1	2032231039	ZWIMMXQILNJIDW-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CC1(CCN[C@@H]2C[C@@H]3CCCC[C@H]32)CCCCC1	2033211869	DMTDKGGKVRYWJE-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CNC12CCC(CC1)C2)C1CCCCC1	2034030685	MDUWKKNJQUJFHS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCNCC1(C[C@@H]2C=CCC2)CCCCCCC1	2035592883	OKGYFFZPBPMLKS-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C[C@@H]1C=CCCC1	2035601346	SEQWLWRTGZRRLO-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H]1CNC2(CCCCC2)C1	2037723542	HAGDSTMDCWVBDC-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)C[C@@H]1CCC[C@@H](C)C1	2039433987	GJUUNWVDQDKRCT-LMLQULGWSA-N	249.442	4.523	0	10	BJAE	
Cc1ccc(C)c2[nH]c(C34CCC(CC3)C4)cc12	2039847001	PLKLEBHUYTXMCM-UHFFFAOYSA-N	239.362	4.616	0	10	BJAE	
CCc1cccc(N[C@H](C)C2CCC(C)CC2)c1	2040631983	ABGRCLFEVNPXAC-NPCAHTBFSA-N	245.410	4.876	0	10	BJAE	
CN[C@@H](CCC1CCC1)c1cccc(C(C)C)c1	2042743207	SNIAXAPJGDQOHA-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
C[C@H](CC1=CCCCC1)NCCC(C)(C)C1CC1	2043192276	UJURCCXFYZZLSG-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CC2CCC(C)CC2)C1	2045561643	GVZXMLGFFBAPCY-QFXNTCPOSA-N	248.410	4.764	0	10	BJAE	
CCCN[C@@H](c1coc(C)c1)C1(CCC)CCC1	2045814494	ZZORRRGKKLQERY-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
C[C@H]1CCC[C@H]1CC1(N)CC2(CCCCCC2)C1	2046232389	WRVAHBOKKGQWAG-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC1CC(CC(=O)[C@@H]2C[C@@H]3CCCCCC[C@H]32)C1	2047424603	MSBCOAKKWAVOAW-UIEKQHFFSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@H]1CCC12CCC2	2047937472	YBNJYZZIYHUOKZ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(c2cccc3c2NCCC3)C1	2048633583	JWLZRGFHMPNAFD-UHFFFAOYSA-N	243.394	4.584	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](C)NCCC2=CCCCC2)C1	2049539233	FQNUYZILBBTTMC-BFYDXBDKSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CCC([C@@H](N)C2=CCCC2)CC1	2049637863	FELVINKQZLFIDP-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(F)c(NC[C@@H]2CCCC3(CC3)C2)c1	2049845034	GRFRISZWCBSPRI-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@H]2CCCC3(CC3)C2)C1	2049939250	ZIBFRBRCGMZBBF-HLIUYOAVSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC(C)(C)C1CC1)[C@@]1(C)C=CCC1	2049999023	AQGRBMGAYTYMBR-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)CC)c1ccccc1C	2050457129	YXLIOWMOEPFYFA-WMLDXEAASA-N	247.426	4.862	0	10	BJAE	
CC=CC[C@]1(CNCCC)CCCCC12CCC2	2053359809	SSGAVJNLUOCGDD-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H](NC[C@@H]1CCCCC12CC2)C1CCC1	2053436571	NNKIOZPUBFAPEN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CC=CC1)C1CCCCCCC1	2053669002	YHNOFNFQKWRXFU-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cnccc1C(C)C	2053856388	MCKSEURBSLBISD-UKRRQHHQSA-N	246.398	4.586	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C[C@H]1CC1(C)C	2056880984	GBJZRORFYNJWMS-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C2(C3CC3)CCCC2)C1	2057608869	KLDYGRCQCRVCGK-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1CC[C@H](C)CC[C@H]1C[C@H]1C=CCCCC1	2058986276	AKHKSSYJZWTRRV-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1(CC[C@H](N)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1	2059180559	LKQBWAMOLZNHHQ-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@](N)(CC(C)C)c1ccccc1	2059196834	SMQOWMXIJIGVHP-KRWDZBQOSA-N	245.410	4.633	0	10	BJAE	
CC=CCCC[C@@H](CC(C1CC1)C1CC1)NCC	2059226013	UURDUYRCBVQMGC-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCC)C1CC(CC2CC2)C1	2059251186	XNYUYZRPFXFUCH-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H]1C[C@H]1C1CC1)NCCC	2059268094	VMQOFVFHOQCYTR-BYFHDABZSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)C1CCCCCC1	2061088093	KLTPNZSPKMQTLB-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@H](C)C1CC1	2061091801	LJZKVXJKRNPYDS-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
CCC1([C@H](CC[C@]23CCC[C@@H]2C3)NC)CCCC1	2061625314	DEAXARAQCFDXGL-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CC2CC(=C3CCC3)C2)[C@@H](C)C1	2061696572	RKTMDRNEBPXQBA-MKBNYLNASA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC(N[C@@H]2CCCCCC23CC3)CC1	2062017530	PFGISECRDKSIOS-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CC1(C[C@@]2(N)CCCCCC23CC3)CCCCC1	2062017775	PYXAUHHBIXWFAV-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCCN(C[C@@H]1CC[C@H](C)C1)c1ccccc1	2063442663	NHPSXDPZQCFQME-JKSUJKDBSA-N	245.410	4.729	0	10	BJAE	
Cc1cc(C)cc(OCC2C[C@H]3CCC[C@@H]3C2)c1	2063531091	IQMXMBBSEYVWEV-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
CCc1ccc(N[C@@H](C)C2CC3(CC3)C2)cc1C	2064498759	VTCCWEXIXODBPW-ZDUSSCGKSA-N	243.394	4.548	0	10	BJAE	
C[C@H](CC1(C)CCCCC1)c1ccc(CN)cc1	2067354708	TVLUYPZWVFMFIK-CQSZACIVSA-N	245.410	4.609	0	10	BJAE	
Cc1cc([C@H](C)N[C@H](C)C2(C)CCCC2)c(C)o1	2067508408	LOCRGRGDRIGTBE-GXTWGEPZSA-N	249.398	4.516	0	10	BJAE	
CCc1ccc(N[C@H](C)C2(C)CCCC2)cc1C	2067510533	WNYWXEWBTLAFNX-CQSZACIVSA-N	245.410	4.938	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)c1ccc(C)c(C)c1	2068846030	WWFOHHAIBVWAHQ-PBHICJAKSA-N	247.426	4.636	0	10	BJAE	
CCC1(CN2CC=CCC23CCCCC3)CCC1	2069329089	ZIVFTAWRKYRIDI-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CCCC1(CC2(N)C[C@@H]3CCCC[C@H]3C2)CCC1	2069341290	DDSATHJLHLIZKI-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)C2CC=CC2)c1	2070806928	FWFNYCYTBVAGMU-CYBMUJFWSA-N	243.394	4.578	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2CCCC3(CC3)C2)CCC1	2071925518	FVYJWIWFDTYOMH-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CCC=CCCC2)CC1	2072798721	MBSDNGIOYIOCMS-OFLPRAFFSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C23CCC(CC2)C3)CC1	2072874348	ZQTRKKMTNCMXAE-GZRJIHOHSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CC[C@@H]2C2CCCCC2)C1	2074888732	MNZDFEJXQHANPF-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H]1CC[C@H](CN2[C@H]3CCC[C@H]2CC3)CC1	2075338982	QGVKRWXEUIETEC-QAETUUGQSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccccc1C1CCC1	2077263727	CGGORNKBPGOIID-CZUORRHYSA-N	243.394	4.945	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2C[C@@H]3CCC[C@H]32)c1	2077265460	UGISCXCHXJJVLB-YSVLISHTSA-N	241.378	4.555	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@@H](NC)c1ccc([C@H](C)CC)cc1	2079220937	RREOXJKAQRCXHH-OQUILHJVSA-N	245.410	4.507	0	10	BJAE	
C[C@H](CCC1CC1)N[C@H]1C[C@H]1C1CCCCCC1	2079528409	KQCULCARIJTGPG-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
C[C@]1(C[C@@H]2C[C@@H]2C2CCCCC2)CCCCCN1	2079640786	DJSOHCGYJZVOCA-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N)(C[C@H]2C[C@@H]2C2CCCC2)CC1	2079666772	SPXPILTVEWYACH-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]2C2CCCC2)CC1	2079851721	MWGUXZZETAWORT-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)C[C@H]1C[C@H]1C1CCCCC1	2079852110	OQSWWQAUPFIZAO-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)CCCC12CCCCC2	2079860834	CPRZWDUBZQUKKX-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)C1=C[C@H]2CC[C@H]1C2	2081677088	IGKDGGDCZUSAFR-QBYUYEEZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=C[C@H]2CC[C@H]1C2)C(C)(CC)CC	2081682301	RTXMKXXLGJNLJF-OFQRWUPVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(N)CCC23CCCC3)C1	2082982664	MOLARRXRRVMEAM-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C)[C@@H]1C[C@@H]1C=CCCCC1	2083658319	ZHEVJVGZWAJRSI-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@H](CNc2ccc(-c3ccccc3)cc2)CC1	2096808208	XRVCULDKOLEMMB-HNNXBMFYSA-N	249.357	4.732	0	10	BJAE	
CCCCCC[C@@](C)(O)CCCCC1CC1	2211111057	DDHDDNJSXMLUIL-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCc1cc(Cl)ccc1NCC(CC)CC	2212629002	VTXDJUABWFJPRX-UHFFFAOYSA-N	239.790	4.751	0	10	BJAE	
CCC(CC)(CC[C@@H]1C[C@H]1C)CNC(C)(C)C	2215249869	MLZRVVQRYQDGPA-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(N)CCC[C@H](C(C)(C)C)C1	2216250483	AXGNJFDTEGNPET-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@@](O)(CCCCC(F)F)CC1	2216455310	WATCXDAFSCRHAE-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
CC[C@H]1CCCN1CCCCCCCC1CC1	2216862735	ZTAUEWYCVNYDCK-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C(=O)C1	2218336646	XGKYRVGHQUQYOO-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)C/C=C/c1ccccc1	2219067326	SWJNOVPITSIKNE-OKYZRPEMSA-N	246.394	4.523	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccnc(C(C)C)c1	2220886048	SOIUXEXNVFLOHR-HIFRSBDPSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@]1(N)C[C@@H](C)CCC1=C(C)C	2220959944	LFYPXKOCIMPERP-QSJFSLAZSA-N	249.442	4.667	0	10	BJAE	
CC1(C[C@@]2(N)CC(C)(C)C2(C)C)CC2(CCC2)C1	2221024466	BGTYROPSOBBJRK-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ncccc1C1CC1	2221402021	HRWRTTFOIYCBKM-CQSZACIVSA-N	246.398	4.730	0	10	BJAE	
CC1=CC[C@@](C)(N[C@H]2CCC23CCCCC3)CC1	2221596079	ABGANMICVMFXEF-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CC1=CC[C@@](C)(NCC2CC(C(C)(C)C)C2)CC1	2221602862	SFRCFWDFYKAHOQ-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
C(CCCN[C@@H]1CC[C@H]1C1CC1)CCCC1CC1	2223115006	DLRQDZUVGMCFEA-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@]1(CNC1CCC1)CC1(C)CCCCC1	2223553669	CQKNMSZNKBSYBE-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCCC1(CN[C@H](C)CC)CC2(C1)CC21CC1	2223596119	DCCMGNMBJCBNOK-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NCC1(C[C@H]2CC[C@@H](C)C2)CC=CC1	2223601035	YQPXEXNIAUMSHC-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1ccc2occc2c1	2224140761	ZIPWKRISGQFOHY-MLGOLLRUSA-N	245.366	4.520	0	10	BJAE	
CC(C)CC(=O)CCC[C@@H]1CCC[C@H](C)C1	2242760392	MVFDQLLTMWAMIR-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCC(=O)CCCCC[C@@H]1C[C@@H]1C	2243897168	MVDOQPUHXVZZBP-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](O)CCCCCC[C@@H]1C[C@@H]1C	2243901677	GAHCJZOTONWKOS-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)CNc1cccc(Cl)c1C	2244799650	CEJVRDMEHHLQOF-LBPRGKRZSA-N	239.790	4.887	0	10	BJAE	
CC[C@H](CN)CCC[C@H](C)CCCC(C)C	2244841182	DDEXUQDFKPFUTA-CABCVRRESA-N	227.436	4.604	0	10	BJAE	
CC(C)C[C@H](N)CCC[C@H]1CCCCC12CC2	2246618895	ZAKBBUUFTDTZSV-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)CCCC(F)F)C1	2246665366	KNZIXSZLRFOGFG-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC[C@@H]1CCCC12CC2	2247608102	HAYZQLBSNRLALF-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CCCCC[C@H]1C[C@@H]1C	2248812571	AXFGNNOKDJTIPV-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CCCCC1(NCCCCC[C@H]2C[C@H]2C)CC1	2248880013	PRYHMYQXCLKYQE-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)Cc1coc2c3c(ccc12)CCCC3	2248974685	GDMKDRRHHUJZHM-UHFFFAOYSA-N	228.335	4.510	0	10	BJAE	
CC(C)(C)c1cccc(NCC2CCCC2)c1	2249295777	ZZIISJOCYKDKRU-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCC(CC)(CC)CN[C@]12CCCC[C@H]1CC2	2251126118	QVGUKBRJYKNHCD-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NCCCCCCCCCCCF	2253269769	DUSBXEKWNUXOBD-OAHLLOKOSA-N	245.426	4.855	0	10	BJAE	
CC1CC(C)(CC(=O)[C@H]2C[C@H]2C2CCCCC2)C1	2253685311	HUDRXCAOEDIKTP-MTKIKNGMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@H]2CCCCC23CC3)C1	2253826072	ZLTUTGQNUWGYAP-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(=O)[C@H](CC[C@@H]2CCCCC23CC3)C1	2253878790	BFNDZSTZRDIHOF-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@H]1CCC2(CCCC2)C1	2254518189	VEIRISAHWQLWDK-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2CCC23CCC3)CC1	2255013249	LVZCNTCOUOABON-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@@H]1CC1=CCCCC1	2255090852	DRCFTCVZBZNDBQ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC12CCC(CC1)CC2	2257314275	YKXFELZJYZJEMP-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cc(C2CC2)ccc1F	2259126526	NEZFRWDUTDBPSP-ABAIWWIYSA-N	247.357	4.694	0	10	BJAE	
CCC[C@H](CC)CNc1ccccc1C1(C)CC1	2259462580	IXGOTFIFPHTPEN-AWEZNQCLSA-N	245.410	4.976	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@@]12CCCC[C@H]1CC2	2260487153	FDVWKIHCDWOGCD-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@]12CCC[C@H]1CC2	2260544238	MGOPGTPLZKFYMZ-HLLBOEOZSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@@]23CCC[C@@H]2CC3)C1	2260584955	YHRZEAMLIALDJW-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@]12CCC[C@@H]1CC2	2260620049	MYVGVBKTQWKYGJ-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)[C@@](C)(N)c1cccc(C2CCCC2)c1	2260715123	DWTRAEXAGYULRT-CXAGYDPISA-N	245.410	4.564	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@]12CCC[C@@H]1CC2	2298687098	SJHBIYBJKCCLTK-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)[C@H](C)CC1CCC1	2298929758	CISPIFRTSVLJMT-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC(=CC[C@]1(N)CCC1(C)C)CCCC(C)C	2300888856	RKPGFTADTYDCHJ-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC(=CC[C@]1(N)C=CCCC1)CCCC(C)C	2300892818	JCJDTYZITDEFSY-INIZCTEOSA-N	235.415	4.587	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)CC[C@@H]1C[C@H]1C	2300902926	ZDZZLZXWSWTERL-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@H](CO)C(C)(C)C)CCCC(C)C	2300932280	RLVVDDNEAGHQCJ-OAHLLOKOSA-N	240.431	4.804	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC1CCCCCC1	2301144354	CPTMTTFMZNBXCU-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC1CCCCCC1	2301237090	SQHDDMXQYZRVCY-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCNC[C@](C)(CC)C[C@H]1CCC(C)(C)C1	2302710795	UAAAUIJFCLVVOJ-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)C[C@H]1CCC(C)(C)C1	2302752244	BWHIBTHURXNZQI-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)C[C@@H]1CCC(C)(C)C1	2302752245	BWHIBTHURXNZQI-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)CC[C@@H]1CC[C@@H]1C1CC1	2303130338	XBBNDWHXJVHECT-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)c2ccc(C)s2)CC1	2303525101	MSLYMBVGHHBMTK-UONOGXRCSA-N	249.423	4.583	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@H]1CCC(C)=C(C)C1	2303526853	RPEHRIICPJCRKB-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CCCC(C)C)CC1	2303527703	XLWDKSJOUGSPLG-OAHLLOKOSA-N	236.399	4.908	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC(C)(C)C1)[C@H](C)CC	2304413469	ZOTIHGMIZXPZFA-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC)CCCC1(C)C	2307894793	NSZHWUIAAOPGKG-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CNCC)C=CCCC1	2307919950	LTKMHVNRHAVFAV-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC/C=C/CNC[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309183292	GMLFDMHTXQRQEK-RYWYOALRSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C[C@@]12CCC[C@@H]1C2	2310381179	CLLGBQJXGJPKGJ-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@@]23CCC[C@@H]2CC3)CC1	2313349761	DHBGRIXTGSIBNF-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@]1(CC=C(C)CC)CCCCC12CC2	2316493628	YXKSGMKMNMDNCL-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)[C@H]1CC12CCC2	2316878319	MXZJDTIKKNRIKC-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CCCC2=CCCCC2)C1	2318562370	VCTVAOBAZHCVFP-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@H]2CC23CCC3)cc1	2318905287	ISZSZGCNNLPNQZ-DZGCQCFKSA-N	243.394	4.802	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)(C)C1)[C@]1(C)CC=CCC1	2319326058	LFZCZJRAIJOSGS-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CNC2CC2)CCC(C)=C(C)C1	2320268853	UNFFMCMFOAAUFE-DYVFJYSZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CC)[C@@H]1CC=CCC1	2320377490	ACTFXPNALMFOOJ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](O)CC2=CCCCC2)CC1	2320408882	OVCMZJSMIAWADH-IAGOWNOFSA-N	248.410	4.764	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](C)[C@@H](C)NC(C)C)c1	2327792281	ZWKFRUAIHBITRA-HUUCEWRRSA-N	247.426	4.608	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)C2(C(C)C)CC2)c1	2327795393	UHQNKRYZFKWKDB-UHFFFAOYSA-N	244.378	4.737	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(C)cc1	20520123	DROXXFQGAPABFI-CQSZACIVSA-N	219.372	4.766	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1cccc2c1CCCC2	21507917	RIKODACBRPVBCI-XJKSGUPXSA-N	243.394	4.556	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](CC)C[C@@H](C)CC	36792264	GEZFVCGIYMJGQE-RRFJBIMHSA-N	227.436	4.760	0	10	BJAE	
CCC[C@H](NC[C@H](C)CCC)c1ccccc1	37062366	NDJYDFAZQUEDDK-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@@H](N[C@H](C)C(C)C)c1ccccc1	37249732	SZHPQOQGPJSKNC-GDBMZVCRSA-N	233.399	4.552	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@H]1CCCC[C@@H]1CC	70414567	LXBMVHSCQCTBQG-CWRNSKLLSA-N	249.398	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CCC(=O)C(C)(C)C	70740073	BEVRMTMPTBPGKL-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CSc1ccc(N[C@H]2CCCC(C)(C)C2)cc1	79970682	JWLFGWSEIGXQFW-ZDUSSCGKSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCC(C)(C)C)C1	83783990	MGPXNABUWSOPFB-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)C)C1CCCCCC1	87948036	BHQJYNXHQIDRAI-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC)c1cc2c(C)ccc(C)c2o1	88074266	QHJFWIJJTFWVSY-CQSZACIVSA-N	245.366	4.500	0	10	BJAE	
CCCc1ccc([C@H](C)N[C@H](CC)C(C)C)cc1	103974733	IFVSUSXXKZIJMS-WMLDXEAASA-N	247.426	4.724	0	10	BJAE	
CCCCc1ccc([C@@H](C)CCC(C)=O)cc1	107478607	JAAOIWDVPQHAPJ-ZDUSSCGKSA-N	232.367	4.502	0	10	BJAE	
C/C=C\[C@@H](C)Cc1c(C)c(C)cc(C)c1C	107657986	QUSMGBZCNMZZAG-SKVAFPRGSA-N	216.368	4.675	0	10	BJAE	
CCCC[C@H](N[C@@H](CC)C(C)C)c1ccccc1	109929018	QMHGKYPHHMHWIA-IRXDYDNUSA-N	247.426	4.942	0	10	BJAE	
Cc1cc(C)c([C@@H](C)N[C@H](C)C(C)(C)C)c(C)c1	122607249	UXLLFXBLZXGBPU-HUUCEWRRSA-N	247.426	4.697	0	10	BJAE	
CCC[C@@H](C)C(=O)c1ccc(C2CCC2)cc1	125609858	NLSINWUNQJDTPP-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@@H](C)CCC	126139275	RXQXIZKXSVXBHU-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@@H](C)[C@@H](C)c1ccc(C(C)C)cc1	132970938	KUINWHYZSXWQJR-HUUCEWRRSA-N	247.426	4.549	0	10	BJAE	
Cc1ccc([C@H](C)NCCCCC(C)C)cc1C	134279121	MRLIUBLZKKGOIR-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
C1CCCC([C@@H]2CCCC[C@H]2CNC2CC2)CC1	150089542	DBDDIIXOCPQNCG-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C1CCC(C)CC1	165363534	BMVAECYDNFTHGJ-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C(=O)C1CCC(C)CC1)c1ccccc1	165964444	DARKISGROMWSRP-BCLQGDPASA-N	244.378	4.576	0	10	BJAE	
CCC(CC)(CCCC(C)C)CNCC(C)C	166080706	LQIHYFRMUDKQDM-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)(C)C)C1CCCC1	167514812	FZZXBFONJIWSCC-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](O)C1CCCCCC1)c1ccccc1	167634398	UWOFWHDXHYXWTP-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
C[C@H]1CCC[C@@H](C)CC[C@@H]2[C@@H]1CC2(C)C	167788935	SITKOPDZOGHVLY-XJFOESAGSA-N	208.389	4.885	0	10	BJAE	in-vitro
CCCN[C@H](c1ccccc1C1CCC1)C(C)C	169029174	HKBPYOSJYZVSRG-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@H]2C(C)C)cc1F	214408776	WJICMANSLAZQRT-GOEBONIOSA-N	249.373	4.761	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1	220569747	HSNHYQJBHYTXRO-QLFBSQMISA-N	231.383	4.540	0	10	BJAE	
CC1CCC(n2ccc3ccc(F)cc32)CC1	224422579	CTHAONMGNPPFST-UHFFFAOYSA-N	231.314	4.532	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1c(C)cccc1F	224941474	IFSGQAWXYBUQQO-GXTWGEPZSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCC[C@@H](C)C1	225998701	RXANVQZZZMNKJN-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
C[C@H]1CC[C@H](NC2CCCCCCC2)[C@@H](C)C1	226160222	KAFGSGLFTFIQMM-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCC[C@@H](CC)CC1	226517316	JRNQPBUZDIAKNF-ZNMIVQPWSA-N	225.420	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)CCC2CCCCC2)C1	228760883	AUDUROZHUVGYJE-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC(=O)c1cc2cc([C@@H](C)CC)ccc2o1	232359312	BDLCNWJPCDTFRF-JTQLQIEISA-N	230.307	4.539	0	10	BJAE	
CCC[C@@H](C)[C@@H](CNC(C)C)c1ccc(C)cc1	233286581	AHOURQABUHWZDF-NVXWUHKLSA-N	247.426	4.513	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](CC)CC[C@H]1NCC	251300753	IYXZHZBPFDBHTQ-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H](c1ccccc1)[C@H](C)CC	253192301	MZQBDNUSSBNWNL-JJRVBVJISA-N	246.394	4.822	0	10	BJAE	
Cc1cccc2cc(CSC(C)C)sc12	257916240	QMYKFOOKGIOLJW-UHFFFAOYSA-N	236.405	4.851	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)C1=CCCCCCC1	300132514	GHZACKHAHZYBMO-ZBFHGGJFSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cccc(CCC)c1	304226259	ZJNQPNQFIHJFRY-CYBMUJFWSA-N	232.367	4.648	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCC2CCCCC2)C1	305897955	SJFYUCLLNSPGME-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCc1ccc(N[C@@H](C)c2cccs2)cc1C	306004843	LKAVQNPQPULVQI-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CCC(CC)(CC)CN[C@]1(C)CCCC[C@@H]1C	308722951	QUXOTLRKEDEZRU-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C1(CCC)CC1	309398117	GSYFEXLXZLIQHQ-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1CCC[C@@H](C)C1)NC	310178602	VVIRHJCUJSKLDY-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H]1CC2CCC1CC2	310892880	UXRNFCQWYNULDM-JREQNMATSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@]1(CNC(C)(C)C)CCC[C@@H]1C	318111427	AHZUQZBGUHBXNA-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCCC1(CNC(C)(C)C)CCCCCC1	318322670	QEEMFIGIBZGVKC-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCCCC[C@@H](NC)c1ccccc1C(C)C	379789179	JNOBQRGKGAZMFC-MRXNPFEDSA-N	233.399	4.651	0	10	BJAE	
CCC[C@@]1(CC2(C)CCCC2)CCCCCN1	379883705	CHFURMVUEKCABG-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
Cc1cc([C@@H](C)NCCCCC(C)C)cs1	381536178	BWSIOZAFDQPTPE-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](C)c2ccccc2N1	383346207	YXLZLZJPPAAFGW-MELADBBJSA-N	231.383	4.801	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1C=CCCCCC1	386106939	JMGVVYGDWYJZQA-LSDHHAIUSA-N	237.431	4.680	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)[C@@H](C)CC(C)C)c1	390416400	MEDZUIZIROZVNL-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCC(C)(C)CC(C)C	391262869	VJQUJIBMZMHBHE-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)CCCC	394581864	SYAYYPFSEGFUFH-KBPBESRZSA-N	214.393	4.534	0	10	BJAE	
CSc1ccc(NCC2(C)CCCCC2)cc1	394635354	DJGYYWMIUWYZHG-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CCOc1csc2ccc(Cl)c(CC)c12	396197882	ZFJDRUKBXIQULO-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1cc(C)c2sccc2c1C(F)F	396252874	VATSPQJBJYRJPZ-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1cc2sc(C(F)F)cc2cc1C	396412112	VEAFAASHUQDNDQ-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@H](C)CCC2CC2)c1	398028036	IFRHHJMVGLDEAC-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1cccc(F)c1C	399029067	XJZZXKJEUIDTRL-GXTWGEPZSA-N	248.341	4.533	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C1CCCCCC1	405756528	UKQYLDABJSLBFC-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)c(Cl)c1)C(C)(C)C	687791534	PLQWYYKQPXYIBU-MRVPVSSYSA-N	246.181	4.840	0	10	BJAE	
CCC[C@H](C)[C@@H](O)C1CC(C)(C)CC(C)(C)C1	688339623	VYFUAFVTRGDDCX-GXTWGEPZSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H](CC)CC(F)F	688833867	NRYMHFJYKDUYGH-RYUDHWBXSA-N	248.357	4.843	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)C1(CC)CC1	688911991	FCRMEHOOLCFCTR-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
C1CCCC(CCNCCCC2CCC2)CC1	689066868	NCHJJUIGMHSOIL-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCCCC[C@](C)(O)CC1CCCCC1	689712797	ATFMRLHMTWPMJP-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(O)CCC(C)(C)C	691127058	LLJAFBJODDQJPX-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)C(C)(CC)CC	701231842	NOMARCLSBCLLBP-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)C(=O)C1CCC(C)(C)CC1	701291257	LGNPITGERWULTR-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@]1(C)C[C@H]1C	704315041	UHSINVMXXCHACJ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@](N)(CCC)[C@H]1CC1(C)C	704471071	HDBNVJAIVVTZAC-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C[C@H](CC1CCCCC1)NCC[C@@H]1CC=CCC1	706880302	KOOQJJPGYHJXAR-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@H]1CCCC12CC2	707149600	IIAGWFPCHBKANV-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cccc(C(C)(C)C)c1	709466770	QVOSBVJTKQTMMH-CJNGLKHVSA-N	248.410	4.844	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC/C=C/c1ccccc1	710242083	CLVDVLXUPBHRJP-RCLKMUNOSA-N	245.410	4.634	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1c(C)cccc1O	714534532	SKZHOIHQLIJPSG-KTRBRXNASA-N	218.340	4.551	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)c1cc(C)co1	718395571	MGQKAXMLMPRAND-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CCCCc1ccc(O)c(CCC=C(C)C)c1	718630086	XRANCXOUUVHWLG-UHFFFAOYSA-N	232.367	4.634	0	10	BJAE	
CCC[C@](O)(CCC(C)=C(C)C)c1ccccc1	718691987	NZBCOBQPTOSKIS-KRWDZBQOSA-N	246.394	4.811	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)CCC(C)=C(C)C	718701937	SJAGVTRQPCIRKA-PMPSAXMXSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCCCC[C@]1(O)C1CCCCCC1	719265439	CKXMWYACGJNKNY-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCCCC2(C)C)c1	719270896	XIUZPLVCQVSATQ-OAHLLOKOSA-N	231.383	4.766	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1ccccc1C1CCC1	721703721	YMBWQAVDFFUJSN-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2C[C@@H]2CC)cc1	723148250	HKKCYIXNNDITSQ-YDHLFZDLSA-N	232.367	4.625	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@H]2CCC=CCCC2)[C@@H]1C	1462658901	MRSFYQCLZQBECP-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(O[C@H](C)CC2CC2)c(C)cc1Cl	1899377569	LBKHKQWZBJKMDG-LLVKDONJSA-N	238.758	4.524	0	10	BJAE	
CCC(CC)CC[C@H]1CC(=O)C[C@@H](CC)C1	1900693751	QYVQBVAIBRMWBT-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CCC=C(C)CC)CC(C)C	1900876651	GPOABMLEGQCRNU-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)[C@H](C)C(C)C	1901506455	HNMGIZIJDSVTDS-ZNMIVQPWSA-N	227.436	4.616	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](C)c1cccc(N)c1	1905364031	XUCYQLZURXQJML-CHWSQXEVSA-N	219.372	4.589	0	10	BJAE	
CCC[C@@H](CC)C[C@](O)(CCC)C(C)(C)C	1905373719	ISHRLIQOWSWCAY-UKRRQHHQSA-N	228.420	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1(CCC)CCC1	1905375087	UBGMZDSLOJTWFA-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)CC1CC(CC)C1	1905452523	YTJPJIYAQSHZFA-HSBZDZAISA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](O)CC1CCCCC1	1908564928	WYNHMNWPSSAOMX-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC(=CCl)CNc1cccc(C2CCC2)c1	1911632522	DDTUGHABLRESEV-UHFFFAOYSA-N	235.758	4.509	0	10	BJAE	
C[C@@H](N[C@H]1CCC2(CCCC2)C1)c1ccsc1	1916420782	BAMCJLDERKUGDV-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](O)(c1ccccc1)C(C)C	1919933612	HLSAUIKFXMVBEK-NVXWUHKLSA-N	248.410	4.603	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C1CC(CC)C1	1921262951	YFOTUCSZAJLTOU-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(CN)C1CCCCC1	1924120295	XGKRYGYAYZAYOI-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)CC1CC(C)C1	1925142598	DREJGPGJNSTRHV-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
C1=C[C@H](C[C@H]2C[C@@H]2c2ccccc2)CCCC1	1925832234	FQBCDFIGRVTPFN-BHYGNILZSA-N	226.363	4.927	0	10	BJAE	
C1=C[C@H](C[C@@H]2C[C@H]2c2ccccc2)CCCC1	1925832236	FQBCDFIGRVTPFN-UAGQMJEPSA-N	226.363	4.927	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CCC(C)(C)CC	1936212397	LTKFALQXBALTCB-KBPBESRZSA-N	227.436	4.602	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@H]3CCC[C@@H]32)cc1Cl	1940414678	USELTVZBVDWFCM-OSAQELSMSA-N	249.785	4.503	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CC1CCC=CCC1	1941793036	LJDBGVWQNKLCLI-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC(C)C)C1(C)CCC1	1942653503	QZABJFABLZCNGZ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943038677	CDDJXRHZIAZKHO-LJISPDSOSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@@]1(O)CC(C)(C)CC2(CC2)C1	1943082875	YPFDSQWAQMBSPG-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC1(C)CC(C(=O)CC2CCC(C)CC2)C1	1948407642	RPBDKGBFBYKQKZ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(F)(F)C(C)(C)C[C@@H](N)CCCC(C)C	1949020575	JPTIKFIAARXCBO-LBPRGKRZSA-N	249.389	4.602	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC(CC)CC)CCC1(C)C	1949663883	ZZBPGQVSHXNNRQ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@H](CC)c1ccc(Cl)s1	1954890136	MDNHDWRHHQOJMM-VIFPVBQESA-N	214.761	4.861	0	10	BJAE	
C[C@H]1c2ccccc2CN1CCCCCC1CC1	1966291705	JQLIGWNAQPEYIP-AWEZNQCLSA-N	243.394	4.534	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1N[C@@H]1CCCCC12CCC2	1967799502	UTPHXKKTOMLNKN-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCC[C@H](C)C2)c(C)c1	1968255624	ZWYNHUNMSKDXLP-BBRMVZONSA-N	245.410	4.932	0	10	BJAE	
CCC[C@H](C)NC1CCC2(CCCCC2)CC1	1968898984	JGQSMQUVYUPYJA-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
C[C@H](CN[C@H]1CCC2(CCC2)C1)C1CCCCC1	1969017029	ZDQKNRDMLLDVTQ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)NC[C@@H]1CCCCC1(C)C	1970080866	ZAKPDIDLZHSTHT-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
c1sc(CC2CCCC2)nc1C1CCCCC1	1971276899	FRXBFGADNDJROW-UHFFFAOYSA-N	249.423	4.924	0	10	BJAE	
CCc1cc(N[C@H]2CC[C@H]2CC(C)C)ccc1F	1971991757	OLHDEWSHUPOKKL-BBRMVZONSA-N	249.373	4.625	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CCCCC12CCC2	1972829086	HPMKVHNJMFAZQO-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](NC2CC3(CCCC3)C2)C1	1972913916	JLFQOVPBOQVDLP-LSDHHAIUSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)CN[C@H]1C[C@@H](C)CC(C)(C)C1	1973172902	UAQYMSHJCYUSJG-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(N[C@H](C)c2ccc(C)cc2C)C1	1973591190	RIKFYQJVCZQXBW-HPUBIQBYSA-N	245.410	4.533	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1csc(C(F)F)c1	1978582700	NSGNTIXSONFUDX-JTQLQIEISA-N	247.354	4.512	0	10	BJAE	
CCC(CC)(CNCC(C)C)CC(C)=CCl	1978653639	SSGVNUYXQXJBCB-UHFFFAOYSA-N	245.838	4.571	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1cscc1F	1985360625	GHBJVHMUQCTRRI-JTQLQIEISA-N	242.359	4.532	0	10	BJAE	
CCCCC[C@@](CC)(CNC(C)C)C(C)C	1986398672	CDBQTIBSLIFHLJ-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
Cc1csc(C(=O)CC(C(C)C)C(C)C)c1	1988295745	PMBMEKXALDGVPM-UHFFFAOYSA-N	238.396	4.558	0	10	BJAE	
CCCN[C@@H](CCC)CCC1(CC)CCC1	1988432283	CQVLHAWHXHEADI-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C1CCCCC1	1990122927	DNMJYEGUDJXOQT-CQSZACIVSA-N	225.420	4.610	0	10	BJAE	
CC(C)=C(C)CCN1CCCCC12CCCC2	1995812897	LJTVJAMYTXRXIC-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CC1(C[C@@](C)(O)C2(C)CCCCC2)CCCC1	1995990960	LQKCQUIBPHBYSQ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NCCCC1CCC1	1997426088	KKBYZMMSDPAVLW-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1sccc1[C@H](N)C[C@H]1CCC=CCCC1	1999978592	GIRBVBWHMBEKNY-DZGCQCFKSA-N	249.423	4.583	0	10	BJAE	
CCCC(C)(C)[C@H](NC)[C@H]1CCCC(C)(C)C1	2000062717	OEXMSMYYQLOWKO-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CC)[C@@H]1CCCC(C)(C)C1	2000160504	FPRWIRJRZRJNCE-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC1(C)C)C(CC)(CC)CC	2000376421	MSYOZRHNIINEGF-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C[C@@H](C)CCC	2000387955	PCJVNZSAAWSYSC-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@@H]1C=CCCC1	2000505096	NULCLYQXMJPIJQ-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](C)(CCCC(C)C)CNC1CC1	2000519541	CVFXQXKTEMCQDT-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@H]2CCCCCC[C@@H]21	2001500895	FSMRLULCFAKKCI-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)C(=O)C1[C@@H]2CCCCC[C@@H]12	2002750555	RXMKPVWDHDHVJP-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H]1CC[C@H](C)CC1	2003103903	OQJGNLBWOBTPGL-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCCCC12CC2	2005563915	BJJNLYCWIQBINC-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCC(CC)C[C@]1(CN)CCCCC12CCC2	2005600956	KOVVLSCDXLOSEK-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1C[C@H](O)C[C@H](CCC2CCCCC2)C1	2006634460	GQIYUTQZOSGKHS-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCC[C@@H]1C(C)C	2007623223	RZNJLGXHXDMODE-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)C1(C)CCC(C)(C)CC1	2007683786	VDLRLWCXXBORGT-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCCC12CCCCC2	2009566524	FNHDZLBYOBBNMZ-KZSQQDEKSA-N	235.415	4.565	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CCCCC(F)(F)C1	2009575022	VTMLJWKPKFXOQO-JDGPPOGSSA-N	244.325	4.518	0	10	BJAE	
CC=CCCCN(CCC(C)C)C1CCCC1	2009576365	YRNJPDHMOBUJQR-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
c1ccc(C2CC2)c(CC2CC(=C3CC3)C2)c1	2011087032	KDLAAIKCFHRZGT-UHFFFAOYSA-N	224.347	4.607	0	10	BJAE	
CC=CCCCN[C@@H](CC)CC1CCCCC1	2011437602	HRUHBUMIYYYFPE-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC1(C)C[C@@H](N)C[C@H](CCC2CCCCC2)C1	2012064094	TUUDXOSOAZWURH-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1C[C@H](C(C)(C)C)C1	2013707716	OADWKWPHYRWUGR-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@H](C)N(C)CCC(C(C)C)C(C)C	2015393169	ASTFPEQGYKIYAF-HNNXBMFYSA-N	241.463	4.671	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@@H]2CCC2(C)C)CCC1	2015597889	MKXRJLNJOYJTCL-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)C1(CC(C)C)CC1	2015754550	GFAMEHNZWUUKJG-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H]1C[C@H](C(C)(C)C)C1	2016148951	FJIKLXXZDSLYQX-RBSFLKMASA-N	237.431	4.536	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCC[C@H](C)[C@@H]1C	2016150743	XRKGFEPFLFBZDY-YHUYYLMFSA-N	237.431	4.536	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)CC1(C(C)(C)C)CCC1	2017115060	SWAXJFLSRYJZDX-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(C[C@](O)(CC)C2CCC2)CC1	2017649339	UPEHXJJETOVKQS-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](O)CCC[C@H]1CC[C@H](CCC)CC1	2017724579	HCOCWXGOCKOQQW-JYJNAYRXSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(CC(=O)CC[C@H]2C[C@@H]2C)CC1	2017777713	KRIOVNAOPQLUTO-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@@]12CCCC[C@H]1C2	2018618025	ADDVWGFAXUNPBJ-LRDDRELGSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C(C)(C)C1CCCC1	2022553657	HVTMNZFGOIOSGB-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C=C1CCC1)C[C@@H](CC)C(C)(C)C	2022685253	CDVALPPGHANZAY-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)CCC2(C)CC2)C1	2024101885	NWXOCDYXCWLHKD-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@](C)(N)CC1CC(C)(C)CC(C)(C)C1	2024103421	ZSABJFCHYGBIOR-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1C[C@H]1CCCC(C)(C)C1	2024605209	JHSLMMSQVUDQRJ-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)c1cccc2c(O)c(CC(C)C)oc12	2028132119	SGDRMGRUKCWXIU-NSHDSACASA-N	246.350	4.850	0	10	BJAE	
CCCN[C@@H](c1ccccc1C1CC1)[C@H](C)CC	2028550286	VCZCWULRNDHIPR-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)[C@@H]1CC12CCC2	2032134412	HLEOCKDKBIMGJO-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCCC1)C1C[C@H]2CC[C@H](C1)C2	2033101343	RKBIXEXEIIKFDY-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC(C)(CNCCC1=CCCC1)C1CCCCC1	2034028618	SVOLRUMSDWDZEM-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CC[C@@H](C)[C@H]2C(C)C)c1	2035406269	AQWIGCPAQYLPDE-DAXOMENPSA-N	249.373	4.617	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C[C@H]1C=CCCC1	2035589361	IFOVWZMBYMMSJC-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@H]1CC12CCCC2	2036093028	FTCUVGNLAIGZQR-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCOc1ccc(N[C@@H](C)[C@@H](C)CC(C)C)cc1	2036386953	ZQMPDZZBEDSPDS-KBPBESRZSA-N	249.398	4.568	0	10	BJAE	
CCC1(CC)CCCN(C[C@@H]2C=CCCCC2)C1	2036780462	OVIJJGQTAGPVCG-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
NC1(C2=CCCCCC2)CCC2(CCCC2)CC1	2037094914	WJSBZDJZJGEARC-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CC2CCC=CCC2)C1	2037203318	FIQLDJMSZQLQHM-USXIJHARSA-N	249.442	4.667	0	10	BJAE	
N[C@@]1(C[C@H]2C=CCCC2)CCCC12CCCCC2	2037305284	BGBKZBQIFBDSLX-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCc3ccccc3N2)C1	2037699957	TYRGGSNFAZWXQE-UKRRQHHQSA-N	243.394	4.630	0	10	BJAE	
N[C@H](CCC1CCC=CCC1)CC1CCCCC1	2038165749	MSLIGARGCYUCDC-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC1CCC2(CC1)CC(N)(C[C@H]1CC[C@@H](C)C1)C2	2040175527	JMUWKAFBEMKHJZ-QZAQUIPZSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@@](C)(N)C2=CCCCCCC2)CC1	2040648486	UFAVBCSUSIAENE-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCC[C@H](CNC[C@H]2C=CCCCC2)CC1	2041542860	ZMJGGSDWQOVXSO-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NC[C@]2(C)CC=CCC2)C1	2042072509	QGDQAYWXQNNDND-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(C)Cc1ccc(C(=O)CCC2CCC2)cc1	2042747596	PGVAJMCCUAKPEO-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@@H]2CC23CCCC3)CC1	2047022255	CDQHDDNEUBEZQS-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CC=CC1)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047427396	NXURUHSIKCZZRB-ARFHVFGLSA-N	246.394	4.518	0	10	BJAE	
CCCC1(NCC2[C@H]3CCCCC[C@H]23)CCCC1	2048452269	BPCQFMQYDOZTBH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2[C@@H]3CCCCC[C@@H]23)C1	2048470460	QCHCOARQKJBETL-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCCCC=C1CCC2(CCCN2)CC1	2048951386	YRHBAOKJCBOLJH-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)[C@H]1CC[C@H](C)CC1	2049687974	ZONDXBUBYUTOTM-XIRDDKMYSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](N)CCC2(C)CCCCC2)cc1	2050428709	GCJUBJSEQXXXMR-MRXNPFEDSA-N	245.410	4.745	0	10	BJAE	
CN([C@H]1CCCC(C)(C)C1)[C@H]1CCCC12CCC2	2053434131	OKCMGOALWCRRHX-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CC1CCC(C)(C(=O)CC2CC3(CCC3)C2)CC1	2056538076	QJYKNUXZPNZVDX-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(NC[C@@H](F)C2CCCCC2)c1	2058032889	ZTRPHCPYWFSCRX-MRXNPFEDSA-N	249.373	4.579	0	10	BJAE	
CC=CCCCC(=O)c1ccc(C(C)(C)C)cc1	2059195785	LPJZAJGOJHLHMD-UHFFFAOYSA-N	244.378	4.913	0	10	BJAE	
CCN[C@H](CCC1CC1)C1=CC[C@H](C(C)C)CC1	2061089556	UPTGVOMGCWGIMH-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1=CCC(C)(C)CC1)[C@H]1CC[C@H](C)CC1	2061147380	NISKASWJKYYAFA-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC[C@@]23CCC[C@H]2C3)CC1	2061574268	FNSQVDLNXAOICA-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C(=O)CC[C@]23CCC[C@H]2C3)CC1	2061604852	CEKHWXWXFLHPCK-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
CC[C@](N)(CC1CC2(C1)CC(C)(C)C2)C1CCC1	2063203413	GNXNHSOWEXRZHK-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063500732	JYQVBFJTRAAQLQ-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2C[C@@H]3CCC[C@@H]3C2)c1	2063537112	ZGPSVNQMRNSUCO-PHZGNYQRSA-N	244.378	4.509	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cc(O)c(C)cc1C	2065468429	JFVMACJFKFDNGY-RISCZKNCSA-N	249.398	4.636	0	10	BJAE	
CC[C@@H]1CCCC(=C(C)c2ccc(CN)cc2)C1	2067351469	FEYKNOGWDOIMKG-CQSZACIVSA-N	243.394	4.519	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@H]2CC23CCC3)CCC1	2069342664	QXSOXELVQGLACV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)CC[C@H]2C[C@H]2C)cc1	2072081598	KWRCHZQJUXXCQD-UWWPHRKUSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1[C@@H]2CCCCC[C@@H]12	2072422014	BIBAAWAFSWWWNZ-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCC(NC)CC2)CC1	2072807995	BPJRPAGNXDTXQV-SWHGDLNTSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CC[C@@H]3CCCC[C@H]3N2)CC1	2072809585	OYFAHFBDIDIUNI-QUSNUVHPSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(C=C2CCNCC2(C)C)CC1	2072814976	HXTMRNTXGNNAQW-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@]12CCCC[C@H]1C2	2074111721	FIQKSNXPASDDRZ-AESZEHBQSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC([C@H]2CCNC3(CCCC3)C2)CC1	2074139030	OHGUWLZGOZYRRC-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@]2(CNCC(C)C)CC=CCC2)CC1	2074625501	BHSITSRVJWYANH-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	2074645063	XLNJLXUTPVEQEL-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C1=C(CCN2CCCCCCCCC2)CCCC1	2075151032	CUYBLQJHIWYSCX-UHFFFAOYSA-N	249.442	4.923	0	10	BJAE	
CC(C)=C(C)CNC[C@@H]1C[C@@H]1C1CCCCCC1	2079465647	NAMAJZDBCWKUSC-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CCCCC1CC(N[C@H]2C[C@H]2C2CCCCC2)C1	2079531732	SGNRHSRRDLRDTL-KMZOKZLKSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(CNC(C)C)CC=CCC1	2079670042	KKGGAROBPIWLLU-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@@H]2C2CCCC2)C1	2079851988	ODSFYNXZHOJWFD-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C[C@H](NC)C2=CCCCCCC2)C1	2084993729	INFPPVUYUOSIQV-DQPZFDDXSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(N[C@H]2CC[C@@H](C(C)C)C2)cc1C	2085239782	HLWWJSAFXAFZAB-WBVHZDCISA-N	245.410	4.794	0	10	BJAE	
CC1=C[C@](O)(CCCCCCC2CC2)CCC1	2213574071	OWUNDVXASNUGQK-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC1(CC[C@@]2(O)CCC[C@H](C(C)(C)C)C2)CC1	2216254978	BDMYTHWLHVJMLE-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@@H](O)CCCCCCCC1CC1	2216860481	AXWMBKKKQQVPOM-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](C)C[C@]1(CN[C@H](C)CC)C=CCC1	2217153190	KGCNYNAJRIQFRE-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)C[C@@H]1CCC[C@H]1C	2217153218	KMDQAYKECZOVES-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@]2(C)C[C@H]12	2217278246	ZZKPQFCSWDSOIR-BPLDGKMQSA-N	249.785	4.503	0	10	BJAE	
CC1(C)CCC[C@H](CC2(N)CC(CC3CC3)C2)C1	2218494913	BNVGGJGKCSQZDJ-UQPPLGOBSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2220038639	NRMHRBUFIDQIAQ-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(CCC(=O)c2cccc(F)c2)C1	2221077283	WTKIKLWRHZUQNI-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2CCCCC[C@@H]2C)CC1	2221637603	IOKXDXPMNZACCB-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)C[C@@H]2CC[C@@H]2C1	2223108188	ITSSQTZGUUWFQF-BJWYYQGGSA-N	249.442	4.645	0	10	BJAE	
NCC[C@@H]1CCC(=CCCCCCCC2CC2)C1	2223108436	DMAZPJBBARZGNZ-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
CN(CCCCCCCC1CC1)C[C@@H]1C=CCC1	2223115406	XRWULXAZVFPJHF-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CC(C)(CNC1CCC1)CC12CCC(CC1)CC2	2223542841	UQJDSCGDURNWQW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCCC(=O)c1ccc(C2CCC2)cc1	2223680808	IIBFSUDSRSZYGB-UHFFFAOYSA-N	240.346	4.659	0	10	BJAE	
CCCC(O)(CCC)CCCC[C@H]1C[C@@H]1C	2243038214	CPXXPADHMYGPBR-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCCc1ccccc1CC1=CCCCC1	2243238341	QWVQHSCNRPLKNG-UHFFFAOYSA-N	214.352	4.682	0	10	BJAE	
CC[C@H](C)N(C)CC[C@H](C)CCCC(C)C	2244837049	MZTQTMPIWUVIHD-CABCVRRESA-N	227.436	4.569	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CCCC(C)(F)F	2247159852	PWPSLABIJGITIE-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
C[C@H]1C[C@H]1CCCC[C@](C)(N)C1CCCCC1	2247162889	IRWWONZJSLAABQ-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
N[C@H](C1=CCCCCC1)c1csc(C2CC2)c1	2248057610	VWLBIJRLALPTEB-OAHLLOKOSA-N	247.407	4.516	0	10	BJAE	
CCCc1ccc(C(=O)C[C@H](C)CCC)cc1	2248167545	DKMKOQMLNRRYEO-CYBMUJFWSA-N	232.367	4.648	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(C)CCC[C@@]1(C)O	2248804808	AYMRSGADGPCRMA-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@H](C[C@H]1C[C@H]1CCC)NCC	2250351677	FPTWAKOXQWPELZ-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1=CCCCC1)NCC	2250356954	GUYKOICQKPGRRU-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1(O)CC2(CC2)C1	2250493707	PXIILLAERRBFFL-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C(=O)[C@@]23CCCC[C@H]2CC3)c(C)s1	2251128092	PEVJZLUUVWKODC-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
Cc1csc(C(=O)C[C@@]23CCCC[C@H]2CC3)c1	2251154012	MZXPZVJZKRHVJQ-WFASDCNBSA-N	248.391	4.600	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(CC2CC3(CCCC3)C2)C1	2254105740	HAKSEEQTRZVBFG-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC([C@]1(N)CCCCCC1(C)C)C2	2254451763	JJCUOXUOUUPCAR-UJCFSERGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(C[C@@H]2CC=CCC2)C1	2261376488	OFKAXSYTCKNYCZ-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H]2[C@H]1C(=O)C21CCCCC1	2261385125	HDYXKQCDDWUDRD-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
Cc1cnccc1C=Cc1cccc2ccccc12	2297314940	UOZOSRILENAGRW-UHFFFAOYSA-N	245.325	4.714	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(N)CCCC(C)C)C1	2300498145	XQVPXFGSQBVHGY-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@](C)(O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2300506537	AAQFAHHUJYHGIP-FXUDXRNXSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1C[C@@]1(C)CNc1cc(C2CC2)ccc1Cl	2300672630	YNKJXFUKLJSYRB-BONVTDFDSA-N	249.785	4.675	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCCC12CCC2	2300681533	PQJKZENDVAXDMI-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CCC(CC)CC)[C@@H]1C	2300687786	GMEHSLNFNGQCKD-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC=C(C)CC)CC1	2300875342	UGWIGBBJEXJBHD-SHTZXODSSA-N	236.399	4.908	0	10	BJAE	
O=C(CCC1CCCCCC1)CC1CCCC1	2301145893	SYXQFAYPSAYQRP-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)[C@H](C)[C@@H](C)C(C)C	2301845204	WKPLSZFPBCNUQL-ZJIFWQFVSA-N	242.447	4.594	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1CC(C)(C)[C@@H]1C	2302127897	NBCYECSRUABOMQ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](O)CCCCC1CC1	2302587661	UFXRIFVHWYXBID-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@](C)(N)C2(C)CCCC2)C1	2302897378	ZLUNQHXHLRZAOK-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC(O)(CCC)CC[C@H]1CC[C@H]1C1CC1	2303067194	MXRICOOIKTZZBO-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)C1CCCCCC1	2303444930	NODMKWRLFRBOMW-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)N(C)C[C@@H]1CC[C@H]1C(C)(C)C	2303493979	DJFODNZIBAIHRU-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
CC1=C(C)C[C@H](C[C@](C)(N)CCC(C)C)CC1	2303525876	WPRWPWQUIZWYMO-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@@H]3CC[C@H]2C3)cc1	2308575632	WSWPPJOZVFRJDP-UICACZKSSA-N	243.394	4.801	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@@H]1CCC[C@H]1C(C)C	2309894135	WSUNIBKUAOGBNN-GVDBMIGSSA-N	249.442	4.559	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CC[C@@]23CCC[C@@H]2C3)C1	2310380223	QWUYWRGUQGMCGS-JZAWBGDQSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCCCC[C@H]1C[C@H]1CC[C@@H]2C[C@H]12	2310919972	GJWLIVWMTHYTOS-LVQVYYBASA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@@H]2C[C@H]2C2CCCC2)C1	2311610365	ODSFYNXZHOJWFD-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1CC)C1(C)CC=CC1	2312457373	ZQEHHTWWJFVIGL-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2312465162	PAKTWPBSQUCGQU-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313188828	PFOPSNUWJJSSMK-QMHWVQJVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)[C@@]12CCCC[C@@H]1CC2	2313292938	ZLMQJENCRWJVTK-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H](C)c1ccc(C)cc1	2316239009	PBEFCJULQDRRGP-WMLDXEAASA-N	247.426	4.642	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1(CC2CCC2)CC1	2316869513	IJYRCWDNQZGMLF-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@H]1CCCC12CCC2	2316882889	DJBXPQQEFZXDHA-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316884762	JLYCSOYUQIANNM-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)[C@@H](C)C(C)C)c1	2317825303	WUYJDINSYVQCKB-KBPBESRZSA-N	247.426	4.904	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C1=CCCCC1	2317906960	MIVLVYPHJRMRGD-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
O=C(CCC1=CCCCC1)CC[C@@]12CCC[C@@H]1C2	2317948085	JSXQQLCONRFBKX-NVXWUHKLSA-N	246.394	4.807	0	10	BJAE	
O=C(CCCCC1CC1)[C@@H]1CCC2(CCCC2)C1	2318878416	ASHFKXKTHPPPPC-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1NCCCC1=CCCCC1	2320143014	GNKDLOKYNQGLAG-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCCN(C[C@H]2CCC(C)=C(C)C2)C1	2320333547	HVTIDHVRFURUBU-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@@H](CC2(N)CCCCCCC2)CC1	2320396097	YMVJGJZVPUXLBI-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H](CC1CC1)C1CC1	2320616368	IQVNMQVGOBEGEZ-KRWDZBQOSA-N	241.378	4.555	0	10	BJAE	
CC[C@H](C)c1ccc(C=CCCC(C)(C)O)cc1	2320797311	VCAYCXADMGTGSD-AWEZNQCLSA-N	246.394	4.764	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCCCC2(C)C)c1	2321083684	TXHSZBVUECYSHJ-HNNXBMFYSA-N	249.373	4.769	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC(C)(C)C1)C1(C)CC=CC1	2321605920	QGYJWQSTQUALQN-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)C2(C3CCC3)CC2)C1	2321633590	LEMLHDCRAHEDIS-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@](C)(O)CC2CCC2)c1	2327708535	PIOGSCQZCRRMRJ-QGZVFWFLSA-N	246.394	4.516	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc([C@@H]2C[C@@H]2C)o1	2328305921	DUDPLEWEOKRGRG-RWMBFGLXSA-N	248.366	4.802	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@H](C)C(C)C)cc1	20522738	LGKJOESIUSGOJV-KGLIPLIRSA-N	233.399	4.505	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)c1ccccc1	21012817	ZCGLUTYKXMEIDT-AWEZNQCLSA-N	239.362	4.983	0	10	BJAE	
CC[C@@H](C)N[C@@H](c1ccccc1)C1CCCCC1	21047225	CPBLFKUCPKISBR-PBHICJAKSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H](C)[C@H](NC)c1c(C)c(C)c(C)c(C)c1C	35467677	FBYLKZOUANHXHI-QGHHPUGFSA-N	247.426	4.535	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1cccc(F)c1	36664861	OQBJGNAPDLRLHC-DAXOMENPSA-N	249.373	4.698	0	10	BJAE	
Cc1ccc(Nc2ccnc3ccc(C)cc23)cc1	41054736	NVOIVXXGHJOAQV-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
CC[C@@H](Nc1c(C)cc(C)cc1C)c1ccco1	54106077	MDGWMFAOIGYEKF-CQSZACIVSA-N	243.350	4.768	0	10	BJAE	
C1=C2C(=CC1=C1CCCCC1)[C@@H]1CC[C@H]2C1	71786190	BLEZOBMQMGBESR-BETUJISGSA-N	212.336	4.543	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccc(Cl)cc2)[C@H](C)C1	82857312	VNLXUKHSIXFOGY-GYSYKLTISA-N	237.774	4.577	0	10	BJAE	
CCCN[C@H]1CCCc2ccc([C@@H](C)CC)cc21	110269442	ARUJMWRSOWRROZ-GUYCJALGSA-N	245.410	4.577	0	10	BJAE	
CCC(CC)[C@H](C)NCc1cc(C)c(C)cc1C	111665035	PBPNIIWHPHGNEW-HNNXBMFYSA-N	247.426	4.526	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1ccc(CC)cc1	111817285	UKZHGNNAMDSZQQ-WBVHZDCISA-N	248.410	4.889	0	10	BJAE	
CC1(C)CC[C@H](Nc2cccc3ccccc23)C1	129194974	CBFAYYAPVJRQAF-AWEZNQCLSA-N	239.362	4.830	0	10	BJAE	
CN[C@@H](c1ccccc1C1CCC1)[C@H](C)C(C)C	132598007	MZQNROPCBWCIJP-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
CCCC[C@H](NCC)c1ccc(C2CCC2)cc1	133280676	OVIZSZVTCLIVIK-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CCCN[C@@H](CCC)c1cccc2ccsc12	163255878	KQQWQZYWNKGEKT-AWEZNQCLSA-N	247.407	4.742	0	10	BJAE	
Cc1cccc([C@@H](N)C[C@H](C)CC(C)(C)C)c1C	163448789	DLAILUCREAJGNK-LRDDRELGSA-N	247.426	4.766	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CCCC[C@@H]1CC	166739493	KKPOQQIHRCUZHW-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CSc1ccccc1N[C@H]1C[C@H](C)CC[C@@H]1C	221824289	NLEFBWQSHPWEBR-DYEKYZERSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)C1CCCCCC1	227358963	KRNQMLZTCOSDNK-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C1(C)CCCC1	229178627	FHRSRUVCFPMYLG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N)cc(-c2ccc(C)c3ccccc23)c1	232055857	OKVDJGYITPUQOF-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CCCNCC/C=C(/C)C1=CCCCCCC1	233079824	UBEYCMAELXROGH-YZGCOQPUSA-N	235.415	4.603	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1ccccc1C(C)(C)C	233350009	DKMXCXIVSRNGFU-BBRMVZONSA-N	247.426	4.681	0	10	BJAE	
CCc1cccc(NC[C@@H]2CC(C)=C[C@H](C)C2)c1	234176632	PYMFTKHGPBZETP-BBRMVZONSA-N	243.394	4.653	0	10	BJAE	
CC1(C)CCC[C@@H](c2ccccc2C(C)(C)O)C1	258395960	TZXBHDLRCWWNGI-CYBMUJFWSA-N	246.394	4.598	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)c1cscc1C	300136639	KRUAYSBBPVTUKY-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CC(C)NC[C@](C)(CCC1CCCC1)C(C)C	302271357	RGLRPHUJCRTGBV-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1ccc(C(C)(C)C)cc1	302484953	ZBKXLZOIKQHTEG-CZUORRHYSA-N	247.426	4.810	0	10	BJAE	
CC(C)(C)CCCC(=O)C1CCC(F)(F)CC1	304149854	OLUGGQFITHFGPV-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
Cc1ccc(N[C@@H]2/C=C/CCCCC2)c(C)c1	305930057	DELLZBBJWYVZPV-PMGBHYCQSA-N	229.367	4.604	0	10	BJAE	
CCc1c(Cl)sc2ccc(Cl)cc12	306533099	CKLXBSAYEYYYCV-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCc1cc(SC)c2ccsc2c1Cl	307504989	ZIPZCQIAFRZAGZ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Cc1c(C(F)F)sc2c(Cl)cccc12	307527728	LMTPXXXKRWBOHP-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC1(C)CCC1)NCC	310498933	IUDCUUQWPQMFSP-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC1CCC1)N[C@H]1CCCC12CCCCC2	313081714	RMTXYOLEHMTJNN-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)C1(CNC(C)(C)C)CCC(C)CC1	318048642	FGJFWBOVPMSCFT-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](CCC)C1CCC1	322839968	LBGOCBUCMKRYSN-CVEARBPZSA-N	239.447	4.904	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C1CCCCCC1	381428887	GBYXOEXFPDNKJZ-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC23CCCC3)cc1	383011382	KUVDLKVHLWFYLN-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@@H](c1ccccc1)C1CC1	384985305	USUCGWZVAHOTCV-BBRMVZONSA-N	245.410	4.552	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCC23CCC3)c1	394757522	BUDRBEBZHYHHIZ-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CC(C)CCCCCC(=O)C1[C@H]2CCCC[C@H]12	394837438	XHQXGYHLSOZPJQ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCc1cc2c(C(F)F)ccc(CC)c2s1	396168473	MVPMIXNKNRWRKF-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CC[C@@H]1CC[C@](CNC(C)C)(CC2=CCCC2)C1	401164869	KQHDYYRLFJRDFJ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC(C)(C)C1CC1	405766586	JEWLSYHGUGBJRV-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1cccc(C2(O)CCC(C)(C)CC2)c1	688941201	XINYJOVELIIZRG-UHFFFAOYSA-N	246.394	4.598	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1C[C@@H]1c1ccccc1	688963624	IOSKOHVJNKQVII-HUUCEWRRSA-N	244.378	4.576	0	10	BJAE	
CCc1ccc(CC)c(NC[C@@H](C)C2CCC2)c1	689501289	BQRNPORFPQSZKV-CYBMUJFWSA-N	245.410	4.660	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)C1(CC)CCCC1	692104898	ICKPLXPKUZXBKP-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H](N)[C@H]1CCC[C@@H](C(C)(C)C)CC1	695091549	KBFQAHJKYCIPAS-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](CC1CCCCC1)[C@@H]1CCCC2(CC2)C1	695980995	CLGWDTUEDQWRAA-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2C[C@H]3CC[C@H](C2)C3)CC1	697983458	VDSBNMLZTMUFDE-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@@H](C)C1)C(C)(CC)CC	701132316	SYTYFRUPTBLRET-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc([C@@]2(N)CCCCC2(C)C)c1	701538950	OJZPXLFMEMTEJN-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC1CCC(C[C@]2(N)CCCC[C@@H]2C2CC2)CC1	704476063	XYDSXQMDQMYUDM-GMGZGELVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(CC)c1ccc(C)c2ccccc12	707568192	JUBYVTFWKVJJNA-QGZVFWFLSA-N	241.378	4.512	0	10	BJAE	
CC(C)CC[C@@](N)(CC1CCCCC1)C1CC1	707569586	SSGQBJQRJZTWSR-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)CNC[C@H](C)CC(C)(C)C	709245446	FETNBQKQGICJOU-CQSZACIVSA-N	241.463	4.865	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(O)CCCCC1(C)C	709262990	VBGIWEPLDJZFSA-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C[C@H](N)CC1(C)CCCC1)C(C)(C)C	711113239	NEQKHVVAXCBTHV-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCCNC[C@H](CC(C)C)C[C@@H](C)C(C)(C)C	711185160	USQVJOUZWWLLSN-HUUCEWRRSA-N	241.463	4.721	0	10	BJAE	
CCCNC[C@@H](CCC(C)(C)CC)CC(C)C	711246139	NSSVUFVCSUKTQO-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
CCc1cc(N[C@@H]2C[C@@H]3CCCC[C@H]32)ccc1C	712481050	ISWUGBAOLDRZHI-USXIJHARSA-N	243.394	4.548	0	10	BJAE	
CCC(CC)(CNC(C)C)CC(C)(C)C(C)C	713218833	BQXOCCLBEGBIAN-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC(C)(C)CC	713236356	VNIPBQPIDZJWSV-KGLIPLIRSA-N	227.436	4.602	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1	714298634	NLGGVZRMLWVRSJ-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CC/C=C/[C@H](C)Cc1c(F)cccc1Cl	714539709	KNZXTPDDNPHNAR-RWCYGVJQSA-N	226.722	4.624	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCC[C@@H]1CNC(C)C	718495594	PFXGMLNIIJUNCB-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(O)(CCC(C)=C(C)C)CC1	718689718	HSTZAWVUFXGYHD-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1NCCC1CC=CC1	724179379	KVTUQQZCMFOIEE-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC=C(C)CC	1900844320	COXSHKGNLDCXQW-AWEZNQCLSA-N	224.388	4.908	0	10	BJAE	
CC(C)=C(C)CCC12CC(CC(F)F)(C1)C2	1903414984	IWESSFBZOGQULV-UHFFFAOYSA-N	228.326	4.948	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CC[C@H](C)CC2)CCCCC1	1909702984	IORASLWCDHZXBX-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@@H]1CCC=CCCC1	1910661871	AAAOHCWFBDGKMQ-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
ClC=CCNc1ccc(-c2ccsc2)cc1	1911692476	QPIGYYCGXWADIL-UHFFFAOYSA-N	249.766	4.580	0	10	BJAE	
Cc1cccc(N[C@H]2CCC3(CCCC3)C2)c1C	1916426197	HPUKOAMPNKZAKK-HNNXBMFYSA-N	243.394	4.828	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CC[C@@H]3C[C@@H]3C2)cc1	1917349109	GOCIUEJIDWSGNY-CRNXPOROSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@](O)(CC)CCCCCC(C)C	1919496749	YKRWYDINELJWQJ-OAHLLOKOSA-N	228.420	4.924	0	10	BJAE	
CCCC[C@@](O)(CC)CCCC(C)(C)C	1919503551	AVHKKCSKDWTQRV-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
CCCC[C@@](O)(CC)c1cccc2ccsc12	1919538572	PFHSDYXDJRTTHQ-HNNXBMFYSA-N	248.391	4.689	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@@H](C)CCC(C)C	1919986406	HWTIKBDMNWHGLB-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
CCCC1CC(C(=O)C[C@H](C)CC(C)(C)C)C1	1921302972	ZCXXQJOOGIBPTJ-HSBZDZAISA-N	238.415	4.844	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)CCCC1(C)CC1	1924118586	JDISYGJEDNCBGM-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
Cc1cc([C@@H](N)C[C@H]2C=CCCCC2)sc1C	1925903370	UEQQYADOIQUJHR-KBPBESRZSA-N	249.423	4.501	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C1=CCCCCC1	1926375292	ADTIDWSWHBTPJS-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC1CCC=CCC1)NCCC	1941820442	ZWNKRFNUMLNZLB-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@H](C)CCC(C)C)C1	1942661955	OYCDUQLPIOHRFJ-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1cccc2sccc12	1945970785	SGRRKUCMBWCOKB-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2C=CCCC2)cc1Cl	1947551222	DBINKMYKQIQWEZ-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@H]1C=CCC1)NCC	1947577232	SSBSMMDZYMNCBK-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](NC1CCCCCCCCC1)C(C)(C)C	1947879003	AKDIIXBYBUJMDZ-CQSZACIVSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCC(F)(F)CC	1947887484	VYXZCEPBVIBPKC-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCC(F)(F)CCOc1ccccc1C(C)C	1947997301	MIVWDNRYNIZMHE-UHFFFAOYSA-N	242.309	4.624	0	10	BJAE	
CC(C)=C(C)CCC1(N)CCC2(CCC2)CC1	1949041985	WKMMLYNMOWVFJR-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CC(C)(C)CC[C@@H](N)[C@@H]1CCCC(C)(C)CC1	1950921247	DGMUCDRLEKXZHA-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H]1C[C@@H]2CCCC[C@@H]2C1	1968859676	QLAOEKQSORDZGZ-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CCN(Cc1ccc(C(C)C)cc1)[C@@H](C)C(C)C	1969069804	VDJRYVYNCGHXQT-HNNXBMFYSA-N	247.426	4.676	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N[C@H]1CCCC2(CCCCC2)C1	1969339323	FQTGFELFFMGAJP-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCc1ccc(N[C@H]2CC[C@@H]2CC(C)C)cc1C	1972023401	SUQOLZFCPHBKHV-WBVHZDCISA-N	245.410	4.794	0	10	BJAE	
CC[C@@H](CN[C@@H](C)c1ccc(C)cc1C)C(C)C	1973384229	IXZXKUZTVBTMCL-HOTGVXAUSA-N	247.426	4.636	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)CC1(C)CCCC1	1980380766	QZJXLHJDFRGSOU-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC=CCCCc1ccccc1C1CCC1	1984610150	KMILJAGPBOYBEY-UHFFFAOYSA-N	214.352	4.853	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](CC)CCC(C)C	1986947817	JIGBRNQIGMJJTL-HIFRSBDPSA-N	227.436	4.616	0	10	BJAE	
Cc1ccsc1C(=O)CC(C(C)C)C(C)C	1988301994	JGHYMNIVEBZXJX-UHFFFAOYSA-N	238.396	4.558	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccccc1SC	1989817804	AOAUUTDFLGZJGV-LLVKDONJSA-N	237.412	4.645	0	10	BJAE	
CCC1(C[C@@](C)(N)C2(C)CCCCC2)CCC1	1995976682	XDEHRJCSRIXQRJ-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H](C)C2CC2)CC1	1997116511	LDBAOQWTVVWONM-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1CCCC(C)(C)C1	2000166030	HGRIZFNRBRAADE-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@H](C)CC(C)C	2000294284	QQKAQTOYEPZWDW-INWMFGNUSA-N	236.399	4.620	0	10	BJAE	
CCCNCC(CC)(CC)C[C@H]1CC=CCC1	2000499319	IYRGDCOIGWUVTK-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@@H](C)C1CCC1	2000515880	UARVGUCZOGWYEZ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@@H]1CCC[C@H](C)C1	2000516704	YBDVQFSGSXIPCC-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
FC1(CNc2ccc3sccc3c2)CCCC1	2001391126	YWPCMPDBQDVDFS-UHFFFAOYSA-N	249.354	4.596	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@]1(C)C=CCCC1	2003320021	DUFDDHLWEVYNAS-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@H](CC2(C)CCCCC2)C1	2006626129	CCUUNTWKUSAHMO-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CCC=C(C)C)CC[C@H]1C	2006950173	WYCIJCPIRJUMJN-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CCC1CC(C(C)C)C1)NCC	2007748271	BKMFPCHFCIEKOP-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@](O)(C=C2CCCCC2)CC1	2007925040	IBGCBOPWFJVQRP-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
N[C@@H](C=C1CCCCC1)CCC1CCCCC1	2007936499	FUAJCJDIFVXXCO-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)CCC(F)F	2008583461	SVDCFZAKZCOWSY-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCC1(C)CC(Nc2cccc(C3CC3)c2)C1	2009308895	SPDPJIFXDDSPQA-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)CCC1=O)C(C)(C)C	2009404899	SHLBSUPAJTXBFZ-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)CCC2(C)CC2)CC1	2009540419	LELFJGVCUHQNCC-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCC(=O)C[C@H](C(F)F)C(C)(C)C	2009567377	PWGKTKZICAQDRJ-GFCCVEGCSA-N	246.341	4.619	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1CCCC(C)(C)CC1	2009598587	PKUCDKMGSAMSRM-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)C1=CCC(C)(C)CC1	2010722789	QVGDQVJIOPZGMV-ZFWWWQNUSA-N	238.415	4.556	0	10	BJAE	
CC(C)C(C[C@H](N)CC1(C)CCCC1)C(C)C	2015275375	PJIGKHRYMZJUGL-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)CC1(O)CCCCCCCCC1	2015283299	CNPPKQLGRAOBNJ-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CC(C)[C@@H](C)C[C@]1(N)CCCCC12CCCC2	2015401087	SHWICPVRGJSUIU-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@H]1CCCC1(C)C	2016146680	ZAHRSODAIPXEKK-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C1(C[C@H]2CCCCC[C@@H]2O)CCC1	2017121778	SMTLJBXRIMUPTI-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC[C@](CN)(CC1(C(C)(C)C)CCC1)C(C)C	2017139896	AQPBOCLCFHSXLO-OAHLLOKOSA-N	239.447	4.604	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC1(C(C)C)CCC1	2017140655	JTBHQHDRHJQZNV-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCCC1CCC([C@](C)(N)C(C)=C(C)C)CC1	2017489254	FRUPTHQEIHKPFB-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@@](O)(CC)CC12CCC(CC1)C2	2018128683	DBIVMFUVRXMBJA-GPANFISMSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H]1CC12CCCC2	2018135925	FNHRFMUMEACNLM-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1CCCC[C@@H]1CC	2019199803	MKIAAAFCFZTETL-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
CCCN(Cc1ccc2sccc2c1)C(C)C	2019410850	JDCMREIVERORFY-UHFFFAOYSA-N	247.407	4.522	0	10	BJAE	
CCCNC[C@@](C)(CCC)[C@@H]1C=CCCCC1	2019506058	RVUWVOFDHUDVEN-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)CCC1=CCCCC1	2019782778	YPEFNEKROPWFJQ-JKSUJKDBSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CCC1=CCCCC1	2023337628	YTTTZNZVLNYMCN-INIZCTEOSA-N	235.415	4.601	0	10	BJAE	
CCCN[C@H]1CCC(C)(C)C[C@@H]1CC=C(C)C	2024126797	YGYSRIIXFIQLKK-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@](C)(O)CC2CCC2)C1	2024129365	UYMQTDLFNUIEIC-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H](c2nc(CC3(C)CC3)cs2)C1	2026544982	RRLVAMHIYKSNHM-VXGBXAGGSA-N	249.423	4.779	0	10	BJAE	
CC(C)c1ccccc1C[C@@H]1CCCCC(=O)C1	2027498432	GAPRBUYHNNBUQX-AWEZNQCLSA-N	244.378	4.502	0	10	BJAE	
CC[C@](O)(CCCC1(C)CC1)c1cccc(C)c1	2027830563	CUGNXFNICGKNTR-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CCC(CC)(CC)[C@H]1Nc2cc(C)cc(C)c2O1	2027861644	YGVWMCUTWZTVJD-HNNXBMFYSA-N	247.382	4.650	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC2CC2)CC=CC[C@H]1C	2027925563	GAIMAEXWLGVRMI-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCC(C)(C)CC1)c1cccc(N)c1	2027955113	YVMLAAZEHHEREE-CYBMUJFWSA-N	245.410	4.979	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1ccccc1C1(C)CC1	2028599499	AKOGIGSRSVIRLD-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC2CCC=CCC2)[C@H]1C	2028868950	BEBQHQBWDMGLGE-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCC12CCC(CC1)C2	2033452497	CCFRCQSVIFLABA-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2C[C@@H]3CCCC[C@H]3C2=O)C1	2034264585	QZVRAUBNUIHBTN-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
F[C@H]1CCC[C@@H](Nc2ccc3ccccc3c2)C1	2034873817	NGFJRQYEASMENM-LSDHHAIUSA-N	243.325	4.532	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)c1ccccc1C1CC1	2037210151	RIZANNWKWWXYRP-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CN[C@H](C)CC1CCCC1	2039453900	WJRLLJNRTMNKQK-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCCC1(CN[C@@H](C)C23CCC(CC2)C3)CCC1	2039858905	GCBOQBQNNFGLNE-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@@H](C)NCC[C@H]2CC=CCC2)CC1	2040637845	GBUSNWNNKCKNHP-GMRIPVOYSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(CC[C@H]1C[C@H]1C1CC1)C1CCCCC1	2040652503	ZQHIRKVIPFHRDX-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@]1(C)CC=CCC1	2042019050	LGNVBUJLGHWQSC-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](NCC2(C)CC=CC2)CC1	2042075447	AGCBSXXFNQLVQM-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@](CN)(C[C@@H]2CCC=CCCC2)C1	2045318279	TYSROJBEJKHXRG-BRWVUGGUSA-N	249.442	4.668	0	10	BJAE	
C[C@H]1C[C@@]1(C)CNC1CCC2(CCCCC2)CC1	2045668948	YBNRUCAENLGLDH-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
Fc1cccc(NC2CC3(CCCCCC3)C2)c1	2046226036	CJBVPQZUXFHYMR-UHFFFAOYSA-N	247.357	4.741	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048436709	WDIUKJWTXJEWHD-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCCC2(CC2)C1)C1(C)CC1	2049863206	XSEKCPQCJDDNBH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)CC[C@H](NCC)c1ccc(C)cc1	2050431563	RLHRSKIANICJBW-YOEHRIQHSA-N	247.426	4.862	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CCCC(C)(C)C2)c1	2050461583	XAYFLZXBXYJPJP-AWEZNQCLSA-N	244.378	4.784	0	10	BJAE	
CC[C@H]1CC(=O)C[C@@H](c2cccc(C(C)C)c2)C1	2055127941	IYICOQPSTXMRPO-CJNGLKHVSA-N	244.378	4.673	0	10	BJAE	
CC1=C(C)[C@H](NC2CC3(CCCCC3)C2)CCC1	2055550200	RKFMYCNDDDFTMA-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
FCc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)cc1	2055666965	GUKJISOHGHEIFM-NUEKZKHPSA-N	247.357	4.537	0	10	BJAE	
CCN[C@H](CC=C1CCCC1)CC1CCCCC1	2056875711	JNXUHDVFGHCPPP-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1CCC[C@@H]2C[C@H]12	2057361165	NZMYYTPTPXNZDP-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCC(=O)c1ccccc1C(C)(C)C	2059203055	GHNIDRNWAPMVOA-AATRIKPKSA-N	244.378	4.913	0	10	BJAE	
C[C@H]1CC=C(C2(N)CCCCCCCCC2)CC1	2060906663	RVZNYNOYFNPKNC-HNNXBMFYSA-N	249.442	4.955	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)NCC1CC(=C2CCC2)C1	2061646100	BMFJPPDODHVHMW-ZIAGYGMSSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](O)(CC1CC(=C2CCC2)C1)C1CCC1	2061684489	HAZBLFTVCFEAJA-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCCCCC23CC3)c1	2062015958	CHFJZKJOYLOPFE-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC23CCCC2CCC3)CC1	2063902306	BCQOJTIGIXOBFQ-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC1CC2(C1)CC2(C)C)C1(C)CCCCC1	2064113061	ITOSIURWIVYDLD-TUBUQKNSSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H]2C2CCC2)cc1C	2071781610	CZYXRMCBGSZIEV-DLBZAZTESA-N	243.394	4.548	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CC1(C(C)C)CCC1	2071897738	SROCPNJUMFNSGY-OAHLLOKOSA-N	246.394	4.553	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)[C@@H]2CCCC23CCC3)CC1	2072807362	VJBICDYCRBRUST-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@](O)(CC)c2cccc(C)c2)CC1	2074620131	ZLGJAVQWPLHWGB-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)C1CC2(CCC2)C1	2074644595	SLUALXCWIWDUJR-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CC=CC12CCCCC2	2074906210	OMTHZANJCIIUJC-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
C[C@](N)(CCC1CC1)C[C@H]1C[C@@H]1C1CCCCC1	2079821019	TWXSFNUDFGRXFI-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1C[C@H]1c1ccccc1	2079852448	QMACQYBYRWMPIY-RDJZCZTQSA-N	244.378	4.576	0	10	BJAE	
CC1(CC(=O)C[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079861593	GOZZVGSVWNECIH-GOEBONIOSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C1=C[C@H]2CC[C@H]1C2)C(C)(CC)CC	2081682300	RTXMKXXLGJNLJF-DZKIICNBSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CNCCCCCCC2CC2)CC1	2213581744	AANJQFOIZMOPAM-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
NC1(CCCCC2CC2)CCCCCCCC1	2214585292	SPSJBANJWLONOP-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1n1ccc2cccc(F)c21	2214770061	WXGCMYFQLZAKDZ-RISCZKNCSA-N	231.314	4.532	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@@H]1CC[C@H]1C	2215097555	HQCRTKSGEQZJAJ-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2CCCCCCC2=O)C1	2215434037	QJGDEZMXIJOSIJ-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC1=CC[C@](C)(C(=O)[C@H]2CCC[C@@H](C)C2)CC1	2215823347	HVTVGYBVHPGIFL-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
C[C@H](C[C@@H](N)CCCCC(F)F)CC(C)(C)C	2216415095	UXPVXVNUPOHAAK-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
C[C@H](NCCCCCCCC1CC1)C1CCC1	2216884654	XLYYYBIMXGDGHW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218357649	HRURWEYYMIVNJX-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@H]1CC[C@H]1C)c1ccccc1C(C)C	2220557302	GYJUOFBNQKCRBB-CKEIUWERSA-N	245.410	4.507	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C1(C)CC2(CCC2)C1	2221006931	YMBDBTYDCVLTLJ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(CC(=O)CC2(C)CC3(CCC3)C2)C1	2221083920	OCRWMSYDHCXRDQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@]1(C)CC=C(C)CC1	2221621031	CIDAOWWGKORLLO-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222971084	GHXLPMFHWHDQFN-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
C1=CCCC(NCCCCCCCC2CC2)CC1	2223105965	PAJWFJATOUGSAF-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](CC)c1cccc(C2CCCC2)c1	2223262476	BJWSWZTWGCABME-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CC(C)(C)C[C@]1(CNC2CCC2)CC12CCCC2	2223544593	DARPSRKZQXAKIN-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1cccc2ccoc12	2224198945	XTZWPKKSWXPXPX-SWLSCSKDSA-N	246.350	4.539	0	10	BJAE	
CC[C@H](C)CC(=O)CCCCC[C@H]1C[C@@H]1C	2243877943	SCEMRXBOLHIFTI-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(C)cc1Cl	2244798983	DSHWZKTUBQKSLB-LBPRGKRZSA-N	239.790	4.887	0	10	BJAE	
CCC[C@@](O)(CC)CC[C@@H]1CCCCC12CC2	2246641258	DGGKCTAPSXCRDY-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CCC[C@@H](C)C2)C1	2246732592	MIHJHLKMYLUNKI-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cc2ccccc2s1	2246875300	MDQOJYRTXKNCSK-XHDPSFHLSA-N	247.407	4.727	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@](C)(O)CC1CCCCC1	2247419939	UOAZTIFYQKZHNZ-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)CCCCCC1(C)C	2247447626	ZOHUJGAUXCTWNU-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)CCCC1CC1	2248864353	CDZACEZATXCOOG-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC1CCC(C)(N)CC1	2248869652	IYMQXGUHCUBDFX-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CCCCC[C@H]1C[C@H]1C	2250371471	LLEQVKBFPJZEHL-FXUDXRNXSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@]1(O)C=CCCC1	2250495548	JGEYQYMCJKENCI-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)[C@@H]1CCCN1	2250528845	OKPONNZKXVNWDZ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCCCNC1	2250531443	XYNDHEKQUAENEQ-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)N(C)[C@@H]1CC(C)(C)CCC1(C)C	2251717595	JIQRBOACFIPKBX-ZIAGYGMSSA-N	239.447	4.712	0	10	BJAE	
CC(C)(C)C1CCC(N)(CC2=CCCCC2)CC1	2255141654	POAWKCASPOEZLX-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C[C@H]2CCCC23CC3)CC[C@H]1C	2255326404	NDKQPQNQWFUHTA-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(NC[C@@H]2CCC23CCC3)cc(C)c1C	2258239244	QLPUDQAAPXIFIR-HNNXBMFYSA-N	243.394	4.604	0	10	BJAE	
CCC1CCC(N)(C[C@@]23CCCC[C@@H]2CC3)CC1	2260680141	VYMHLCZPMYDEHR-GMRIPVOYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)([C@@H](C)CC2CCC2)CC1	2298848676	DFKWXUNAIDHEDR-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)[C@H](C)C1CCCCC1	2298942199	JTNUNMVENOZRQC-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCC(CC)CC)[C@@H]1C	2300688608	OUTHVUURNIRJQG-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@@H]1CC[C@H](CC)C1	2300700974	ONACLDFPRMHHOJ-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)C1CCC2(CC1)CC2	2300704738	VPTHEZBKRVOYKR-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCNC[C@]1(CC=C(C)CC)CC[C@H](C)C1	2300860579	IXFFPIHPFVDYSR-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(=CCN[C@H](C)CC1CC1)CCCC(C)C	2300867547	NFDYCSZSVJKEFQ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCC(=O)c1c(C)cc(C)cc1C	2300908255	BFLQRGYYAHLBLN-UHFFFAOYSA-N	230.351	4.541	0	10	BJAE	
CC(=CC[C@@]1(O)CCC1(C)C)CCCC(C)C	2300916434	NQMWRNHMDSYWEY-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
Cc1ccccc1-c1nc(C2CC(C)C2)cs1	2301192628	UONDMFXHIGXTMP-UHFFFAOYSA-N	243.375	4.632	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H](C)[C@H](C)C(C)C)C1	2301844299	PGLNBWLLTCXTTP-BARDWOONSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CCCC1=CCCCC1	2302347884	WTZMLZJLNOFYPQ-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CC(C)CCCCC[C@H](O)CCC[C@@H]1C[C@@H]1C	2302609324	QALZOFSJGNPJHR-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](O)CCCCC2CC2)C1	2302719281	AZZFXEYWKGKRID-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@@H](CNCCCCC(C)C)CC1	2303456716	NUZUOQWNZQJZET-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CC[C@H](C)CC2=O)CC1	2303519471	DSQKGATYNBWGGV-NILFDRSVSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CC)[C@H](C)CCC	2303570425	MXWPBZINVTYZHU-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CNc1cc(F)cc(CC)c1	2304019571	YRUPVVHVIDZDFO-GFCCVEGCSA-N	237.362	4.626	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@](C)(F)C(C)(C)F	2307667622	RJWWMHNRAZQZTF-CYBMUJFWSA-N	248.357	4.638	0	10	BJAE	
CCC[C@H](CC)CC1(CNC(C)C)CCCC1	2307763712	OUYQIXGLTPTNEY-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@]12CCCC[C@H]1CC2	2307891456	CIAGTOKVSDMPMR-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@@H](NCC)[C@H]1CC	2307908985	RTCAASDLBBEITF-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
N[C@H]1CCCCC[C@H]1C[C@@H]1C[C@H]1C1CCCCC1	2311569962	ZINGEKZNAUVCFI-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(=O)[C@H](C[C@@H]2C[C@H]2C2CCCCCC2)C1	2311807200	XGBPHYAZVRVZBQ-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C[C@@]12CCC[C@@H]1CC2	2313344630	VNKZZIKLLXEXNM-VVLHAWIVSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN([C@@H](C)CC2CCC2)C1	2313608492	MGHWBNYZCWHFIN-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
CCc1cc(-c2cc(C)cc(O)c2C)ccc1C	2314654576	ODCRFCKWQCOWTI-UHFFFAOYSA-N	240.346	4.547	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@@H](C)[C@H](C)C(C)C)c1	2317628621	BJUXDZHYEHGVCK-PMPSAXMXSA-N	247.426	4.635	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)CCCC1=CCCCC1	2318581103	SIOYGHCMWVLWEL-SYAUCNOPSA-N	246.394	4.518	0	10	BJAE	
CN[C@@H]1CCCC[C@H](CCCC2=CCCCC2)C1	2318592409	ISMAUZOMLTUQNE-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CCc1cc([C@@H](N)CCCCC2CC2)ccc1C	2318873260	GOSJAOQJRWJOPV-KRWDZBQOSA-N	245.410	4.528	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CCCC[C@H]2C[C@@H]21	2319333829	GZHWDXISLYJKDD-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CC[C@@H]2C(C)(C)C)cc1C	2320153843	QBENYCWSEPWTPE-CABCVRRESA-N	244.378	4.558	0	10	BJAE	
CCCC1CC([C@H](N)C[C@@H]2CCC(C)=C(C)C2)C1	2320424214	QLYBLONVBYQQKX-MNAZLIDISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CN(C[C@H]2CCC=CCCC2)C(C)(C)C1	2320572100	ZNLFXZZZXBOIJE-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)[C@H](CC1CC1)C1CC1	2320770100	CTIXXLIBYVPZMO-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H](CC1CC1)C1CC1	2320817347	UQNQUTDKDUVIHR-FVQBIDKESA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)C2(C3CCC3)CC2)C1	2321633597	LEMLHDCRAHEDIS-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)CC1(CN)CC2(C1)CC21CCC1	2328199221	FXUIKDKEXGTWDU-HPUBIQBYSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@H](C)c1ccccc1	2328264661	DJIFGQBISWGKBE-ZOBUZTSGSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccc([C@@H]2C[C@@H]2C)o1	2328278414	QDUDKSGSKDTVCW-IGQOVBAYSA-N	249.398	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)CCc1cccc(C)c1	2328282539	PXMRYMSAMPQDLZ-RDJZCZTQSA-N	248.410	4.505	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1C)c1ccccc1	20008605	SHTGRFRXLLPRQC-INIZCTEOSA-N	239.362	4.867	0	10	BJAE	
CCc1ccc([C@H](C)Nc2ccccc2F)cc1	21043951	FWHMLVHUYALPKJ-LBPRGKRZSA-N	243.325	4.561	0	10	BJAE	
CC[C@H](C)CNC1CCC(C(C)(C)CC)CC1	36918339	LRWZBYVSOBLQOI-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1NC1[C@@H](C)CCC[C@H]1C	36974299	QNTSJSCFEGIUJG-VMZNBEPHSA-N	245.410	4.876	0	10	BJAE	
CC[C@@H](Nc1cccc2ccccc12)C(C)C	37188625	SUYXFUINSQQFGU-OAHLLOKOSA-N	227.351	4.686	0	10	BJAE	
CCc1ccc([C@H](C)Nc2cccc(C)c2)s1	41202200	KRBCOZDBPIWXFA-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
N[C@@H](CC1CC1)c1ccc(C2CCCCC2)cc1	49729352	FOTYKZBHTPDOOT-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CCc1cccc(N[C@H](C)c2sccc2C)c1	70089779	BGIIGIDRSXZKOU-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CCC[C@@H]1NC[C@H](C)c2ccc(C(C)(C)C)cc21	84228727	YISHQLFBQHQRJG-LRDDRELGSA-N	245.410	4.532	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(c2ccccc2C)CC1	86939536	JORVFGPXWGISFZ-DOTOQJQBSA-N	245.410	4.529	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(CCC(C)(C)C)CC1	87187577	OYKXRDJWPYMTTQ-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](NCC1(CC(C)C)CCCC1)C(C)C	94873855	UQSMXHBEWRXMGH-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@@H](C)C2CCCC2)c1	112392340	ZBOASPMQIYVDOP-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
CN[C@@H](CCCC(C)C)c1cc2ccccc2o1	128198739	DVTPOTRVTLHUPD-AWEZNQCLSA-N	245.366	4.520	0	10	BJAE	
CC[C@H](N[C@H]1CCC(C)(C)C1)C1CCCCC1	129519949	CPPUQKYZSPSCMW-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H]1CCCCC[C@H]1CNC1CC1	155835986	QPHQHTUCECANMQ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)CC1CCCC1	162702450	BTCCCAUVASXARA-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1c(C)cc(C)cc1C	164021919	FOIMDYFLMKBHMA-LSDHHAIUSA-N	231.383	4.602	0	10	BJAE	
CCCN[C@H]1CCC[C@@H](CC2CCCCC2)C1	203527950	HWSFDSZKQKCSOC-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cc2ccccc2s1	229159590	MWRWUTXROWLDEF-CYBMUJFWSA-N	247.407	4.727	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@@H](C(C)C)C2)c1	230985026	HHPXMGMWIFTYGA-ZBFHGGJFSA-N	231.383	4.622	0	10	BJAE	
CC(C)CCC[C@@H]1C[C@@H](C)Nc2ccccc21	232563227	BMUXKNZQLMMAFZ-ZIAGYGMSSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)C1(CC)CCCC1	233179605	YCECYYVWZJLOKX-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc(C(F)(F)F)c1	233284414	DSHVBOOPLRJATI-LLVKDONJSA-N	245.288	4.696	0	10	BJAE	
CCC[C@H](C)[C@H](CNC(C)(C)C)c1ccccc1	233345862	INHOSTANTUENFM-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@@H]2CCCCC2(C)C)C1	235389206	FDRPCTVYXFFABE-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)C(=O)c1csc2ccccc12	304193625	CSMOYAMAEJOBHC-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
C[C@H](CNc1ccc(F)c(Cl)c1)C(C)(C)C	304249787	GWRWMCKJWPMBNG-SECBINFHSA-N	243.753	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CCCC(C)(C)C)C1	305910366	HZZUYNKZUPFDFI-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@H](C)Oc1cc(C)c(C)cc1N	306033113	LRAHGSMIFWXOPC-CQSZACIVSA-N	249.398	4.623	0	10	BJAE	
CSc1csc2c(Cl)ccc(C)c12	306899246	ZUILEYIIQNWRRE-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC1CCC(C(=O)[C@H](CC)CC(C)C)CC1	308054045	KBXPBVSEQIQCGD-SHARSMKWSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](C[C@H](O)c1ccsc1Cl)C(C)(C)C	308355237	MAEGAXIJASGUFI-WPRPVWTQSA-N	246.803	4.507	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1cccc2ccsc12	318739631	KHTYWZVUBSLHTI-WDMOLILDSA-N	248.391	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](CCC1CCCCC1)NC	320051979	LNMJALITXUAPMW-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC1(Cn2ccc3ccc(Cl)cc32)CCCC1	380029173	OMQXTFTYWACIHE-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H]1CCCCC1(F)F	382080080	HXZMHDZPEVAOSY-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](O)(CCC2CCCC2)C1	383133277	WKCVVZQBAPNCDG-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCN[C@H]1CCCCC[C@@H]1C	383257336	LFPGFOATYOMLJN-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1cc(F)ccc1Cl	384544054	FJLLCLPIJIPFAA-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)c1ccccc1C(C)C	386639904	RGGJTNJKGOVCAK-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1ccc2sccc2c1	386666313	ULLDACYYJODHJE-CYBMUJFWSA-N	248.391	4.761	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCC1(CC(C)C)CC1	391831680	PVBZSLKKJZNNJL-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC23CCCC3)cc1	392780439	ZBWZWRITNKTEME-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CCCNCC1(C[C@H]2CC=CCC2)CCCCC1	402264063	SNVGCJFVKPBLKJ-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC(C)[C@@H]1CCCCC/C1=C/Br	606287912	BGHKBENUPPFAHX-IEHMKBBKSA-N	231.177	4.502	0	10	BJAE	
CCCC1(CNc2ccccc2CC)CCC1	687522448	BZIZNLXSILBQEZ-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCC1CCC(CN)(CCCC2CCC2)CC1	688354930	CIZGSHCEVCKSBO-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCc1ccc(CC)c(NCC2(CC)CCC2)c1	689592816	XJDCFLZUPARIFM-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2cccc(C3CC3)c2)[C@@H]1C	690073262	AKQUYQMIWFRSBY-XNJGSVPQSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC[C@@H]1Nc1cccc(C2CCC2)c1	690121648	MXPUJGRKYGWDBP-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
Cc1c(Cl)cc(N[C@@H]2CC[C@@H]2C)cc1Cl	690293612	BEEQBRCCEHRSFS-JVXZTZIISA-N	244.165	4.512	0	10	BJAE	
CCCCC[C@@H](CC(C)(C)C(F)(F)CC)NC	690999944	HGPDCCPUCGVRNX-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
Fc1cc(Cl)cc(CC2CCCCC2)c1	694974331	PDJFFKDNOSZGQS-UHFFFAOYSA-N	226.722	4.602	0	10	BJAE	
CCN[C@@H](CC(C)C)[C@@H](CC)c1cccc(C)c1	695079089	OUJPQFFZFRBCFI-IRXDYDNUSA-N	247.426	4.513	0	10	BJAE	
CCc1ccc(NC2CCC3(CC2)CC3)cc1C	695977779	TUHVAOZLIMIFFD-UHFFFAOYSA-N	243.394	4.692	0	10	BJAE	
CCC(C)(C)CC[C@H](CC(C)(C)CC)NC	696591532	FDNBWSLZAXCMIQ-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCC[C@H]1C1CC1	696727132	LITDNTVDTQROMK-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCOc1cc(C)cc(C)c1	696800474	WGODHYWKSWOKFL-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
Cc1ccccc1NC1C(C)(C)CCC1(C)C	699625931	BHLGQPDOJLDMTK-UHFFFAOYSA-N	231.383	4.622	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)CCC1CCCC1	704475474	WQXRKCRQCOGEHH-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@@](N)(CCC)C1CCCC1	704952419	RCBJYNUVBWGKLG-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CCCC[C@@H]1C(C)C	707542736	AVZZZQYFULAPEH-XHSDSOJGSA-N	239.447	4.602	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)CC1CCCC1	709756848	NGCRUDPMDCEGAG-AWEZNQCLSA-N	245.410	4.938	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)C[C@H](C)C(C)(C)C	710721988	YTFNBDQBQRLPFP-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@@H](CC1CCCCCC1)NC	713125596	KWMCOURIBBGKOR-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)CCC1CCCCC1	713219163	XJSPZXOSKRSMQJ-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC(C)(C)C(C)C	713355694	NPJDIZMWSFQXQE-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H](C2CC3(CCC3)C2)C1	717564529	QFSPAXYPNUUXEQ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NCCC(C)=C(C)C)C1CCCCC1	718518133	GHGHODSPHJGFBF-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1ccc(F)c(C)c1	718526277	LAAHHUIYMZURPB-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1CCCC[C@H]1C	718532066	IZAMWZZDUSXZFF-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC1CC(C)(C)C1)CC(C)(C)CC	723587460	HCPOAAODTFEAST-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C1CCC(CN[C@H](C2CCCCC2)C2CC2)CC1	723980976	HPGPRYOEIHDIPL-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](C)NCC(C)(C)C(C)(C)C	1308784094	CJXICXPKTWQMTC-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CCNC1CCCCCC1	1474004214	FGRKNEABEQFSGY-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C=C/C=C\CCSc1ccc(C)cc1C	1652455577	WXJSTQVULHZKBN-WAYWQWQTSA-N	218.365	4.528	0	10	BJAE	
CC1(CCNC2CCC3(CCCCC3)CC2)CC1	1657906145	DETDEEQWCLUMEH-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCSCCCCSc1cccc(C)c1	1775954457	JWURAJYPDHRUBB-UHFFFAOYSA-N	240.437	4.620	0	10	BJAE	
C[C@H]1CCC[C@H](NCC2(C)CCC3(CC2)CC3)C1	1875708540	IWQGSNDKGQPSOO-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1sccc1-c1cc2sccc2s1	1889519288	QPHWEVVJYUUPGO-UHFFFAOYSA-N	236.386	5.000	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Oc1ccc(Cl)cc1F	1901619238	RXEXDZOQJBXSDH-UWVGGRQHSA-N	244.737	4.539	0	10	BJAE	
CSc1cccc(N[C@H](C)[C@@H](C)C(C)C)c1	1901627099	SBRYFTIXMIPSJZ-NWDGAFQWSA-N	237.412	4.501	0	10	BJAE	
CC1(C)C[C@@H]1c1csc(C2CCCCC2)n1	1901908708	ONYIWMCMQDPUED-LLVKDONJSA-N	235.396	4.704	0	10	BJAE	
CCc1cscc1N[C@H]1CCCCC1(C)C	1902391347	SNNFSLCUWGUWIQ-ZDUSSCGKSA-N	237.412	4.691	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc([C@@H]3C[C@H]3C)cs2)C1	1905268945	ZXMWDJCMYUNBKJ-WISYIIOYSA-N	235.396	4.560	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1C[C@H]1C1CCC1	1910585034	QIPPWXCLZSIWKS-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCCOc1cc(Cl)ccc1Cl	1911784837	WNDMIKYDPAUUMH-UHFFFAOYSA-N	243.133	4.505	0	10	BJAE	
CC=CC[C@]1(CNC(C)(C)C)CC[C@H](CC)C1	1911895818	BXBOPGPEFOEADG-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C(=O)C2CC3(CCCCC3)C2)cc1	1912627605	CQZRKMXVWTXOOB-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
O=C1CCCCCCCC[C@H]1C[C@@H]1C[C@H]2C[C@H]2C1	1913424594	VEIMCFWHMXHXCU-JONQDZQNSA-N	248.410	4.742	0	10	BJAE	
CCCC=CCN[C@@H](CC)CC1CCCCC1	1914683944	IZXAXGFBDLPEMG-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@](O)(CC)CCC=Cc1ccccc1	1919496426	XLAMBMALXPMVPE-KRWDZBQOSA-N	246.394	4.811	0	10	BJAE	
CCCC[C@@](N)(CC)c1ccc(C(C)(C)C)cc1	1920141214	ZZLGOAWNVVKQCG-KRWDZBQOSA-N	247.426	4.738	0	10	BJAE	
CCCCCC[C@@](C)(N)CCCc1ccccc1	1920186483	OJNFBACGMDWDGC-QGZVFWFLSA-N	247.426	4.697	0	10	BJAE	
CCCCCC[C@@](C)(N)CCCC(C)C	1920201173	GCCVCVJEOAHXDS-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)C1CC(CCC)C1	1921175119	HUIKGLFDJOAJME-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCc1ccc(Cl)c(F)c1F	1923235608	MBWKNOTYJWZVFA-UHFFFAOYSA-N	244.712	4.907	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C1=CCCCCCC1	1924134167	AOGTUEJQXABNHE-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CNC[C@]1(C[C@@H]2C=CCCCC2)CCC[C@@H](C)C1	1925803059	PRFDUPCFVIVDLA-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CCN[C@H]1CCCC12CCCC2	1926154245	YWPQTNMNGXWJHK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(F)(F)CCC[C@H]1C=CCCC1	1932979758	CYAXEQMJIUUWMH-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cc(Cl)sc1C	1933590363	WXAQGOXRZTXKTN-LLVKDONJSA-N	246.803	4.570	0	10	BJAE	
CCCC[C@H](CC)CNCC(C)(CC)CC	1936280324	ZFWBMZGZSBXMFV-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CC(C)CC[C@@](C)(N)CCCCCC1CC1	1936430682	VIOKQOKXVGFMLL-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC1(C)CCCCC1)[C@@H](C)CC	1940408913	NNFBIZCLDSNZDD-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)[C@@H](CC)C(C)C	1941265160	SPPRPJLUMKAWNW-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@@H](CC(C)C)C(C)C	1941266678	INOAZBZQTDDVLF-JKSUJKDBSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H]1CCC[C@](O)(CCC2CCC2)CC1	1941471055	YUFHWUWHODUYQO-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](N)[C@]12CCCC[C@H]1CCC2	1944156744	SSHNONVHWRTZRQ-JYJNAYRXSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)([C@@H]2CCC2(C)C)CC1	1945747927	KMDPGFVRZHCZQI-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1C=CCCC1	1947551502	GPBCPIJZBHHKFZ-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H]1C=CCCC1)NC	1947590328	VZWPGTDVRUZNOB-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCc1ccccc1N[C@@H](C)[C@H](C)CC(C)C	1948323417	NMNVGZQKKORMRT-KGLIPLIRSA-N	233.399	4.732	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C2=CCCCCC2)CC1	1948977499	GJLZNGLEHLOAPI-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CC2(C)CCCC2)C1	1948979158	HFAXOGZEHGMRAQ-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@@H]1CCC(C)(C)C1	1949551649	LTHBUCBMJNFKPX-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC1(N)C[C@@H]2CCC[C@H]2C1	1950295443	WSTUYZMPHBARCT-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1c2ccccc2CN1CCCCCC1CC1	1966291706	JQLIGWNAQPEYIP-CQSZACIVSA-N	243.394	4.534	0	10	BJAE	
CC[C@H](Nc1ccc(C2(C)CC2)cc1)C1CCC1	1967839885	BJIBLXHOXQQNFO-INIZCTEOSA-N	243.394	4.729	0	10	BJAE	
CCC1CCC(CNc2cccc(C)c2)CC1	1968252429	QGDFWKUDGQBBJG-UHFFFAOYSA-N	231.383	4.623	0	10	BJAE	
C[C@H]1C[C@H]1CCCN1CCCCC12CCCCC2	1972913121	USAKGKVMSCVPNG-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](N[C@H]1CCCC(C)(C)C1)C12CCC(CC1)C2	1973850572	YTELBWCRFXNRBL-GJEMEMOUSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)C1(C)CCCCC1	1975569830	AAPNXGSABXJYFI-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC1(C)CCC[C@@H](c2nc(C3CC3)cs2)C1	1980273906	JSDQDARNMQWZLT-LLVKDONJSA-N	235.396	4.704	0	10	BJAE	
CC[C@H](CNc1ccc(Cl)cc1F)C(C)C	1988764737	NUHIAMJUOKSKAN-SNVBAGLBSA-N	243.753	4.573	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](CC)CC1CC1	1990092969	GGBSPYHAHZJXKV-GJZGRUSLSA-N	225.420	4.514	0	10	BJAE	
CCC[C@@H](C)N(CCC(C)C)CCC(C)C	1990821366	QJNKOHYPYUXAAZ-OAHLLOKOSA-N	227.436	4.569	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H](C)C1CCC1	1991141178	XEFSOKWWRZDDMG-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)Nc1ccccc1C1CC1	1992088151	VCNBWIUAPLYNEI-ZDUSSCGKSA-N	217.356	4.555	0	10	BJAE	
CCCSc1ccccc1NCC1CCCC1	1996575704	WGDCXEVBSBKABR-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccccc1C(C)C	1996603212	PXUFLFVYMOXWAX-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
CCN[C@H](C)C[C@H](C)C[C@@H]1CCC=CCCC1	1999994906	ZMYXVDVHMGBTPU-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C1(C)CCCCCC1	2000212051	RLXXOCREIIHPAU-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@@H]1CCC[C@H](C)C1	2000504032	DEHCTFLPOGBJNT-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1CCCC2(CC2)C1	2003217754	MEDOWMUCECYJAP-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@H](C)C(C)(C)C	2003648574	ZBEIAYQUKLDYAW-ZDUSSCGKSA-N	232.367	4.640	0	10	BJAE	
C=CC=CCCC[C@@H](NC)c1ccc(Cl)cc1	2003699637	RABANSFUCILAAD-OAHLLOKOSA-N	249.785	4.513	0	10	BJAE	
C/C=C/C[C@@]1(CNC(C)(C)C)CCCC1(C)C	2008071816	YDWFJMYJTIMYST-WAVCKPEOSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCN1CCCC[C@H]1c1cccs1	2009570969	CTYKUAUUUCUIFZ-AWEZNQCLSA-N	249.423	4.631	0	10	BJAE	
C/C=C/CCC[C@]1(O)CCCC12CCCCC2	2009592675	ZSKIZUCJVKOLRH-KZSQQDEKSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C1=CCC(C)(C)CC1	2010713507	MZNDIKWKTBMHSQ-CQSZACIVSA-N	238.415	4.700	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)C1(C)CCCC1	2014340102	PFCRPFNNYYKDLL-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
CC1CCC(N)(CCC(C(C)C)C(C)C)CC1	2015347221	NXYYFQMZSHCAGZ-UHFFFAOYSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CCC(C(C)C)C(C)C	2015347360	PMRSIZDLTUTELA-ZBFHGGJFSA-N	241.463	4.704	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCCC(C(C)C)C(C)C	2015361744	YOIMNRRRFZUADN-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CC[C@](CNC)(CC(C(C)C)C(C)C)C(C)C	2015401516	STIZTVKDPINGJT-MRXNPFEDSA-N	241.463	4.577	0	10	BJAE	
CCCc1ccc(NC[C@H](CC)C(C)C)cc1	2016107649	XUBAYSLRKFYSKY-HNNXBMFYSA-N	233.399	4.733	0	10	BJAE	
CC[C@H](N[C@@H](C)CCC=C(C)C)C1CCCC1	2016144889	MEXPLFUGWNBEJC-HOCLYGCPSA-N	237.431	4.680	0	10	BJAE	
CCCC(C)(C)C(=O)CC1(C(C)(C)C)CCC1	2017125919	UAWWVVOFQQKYKL-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C)C[C@@H](C)CC)CC1	2017653740	WYUMZYZVVNMOBS-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](CC)[C@H](C)NC)CC1	2017722217	OMBQUJMAQQJRDX-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)C1CCCCCC1	2017745654	CSERFPJMCOJIIS-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2CC[C@H](C)CC2)CC1	2017773174	WOEIQFMANOQTOA-HDJSIYSDSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)C1CC2(CC2)C1	2018129496	CWGHSMHIIFROSX-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](CC)NCCC1(C)CCCC1	2018139346	QVULCRHWOYNVID-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC1(C[C@H](CC2CCCCC2)NC)CC1	2019006828	UKZPPCBSZJDBFF-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)[C@@H]1C=CCCCCC1	2019122935	ZGHAARILVLLPTD-LSDHHAIUSA-N	237.431	4.632	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(CC)C1CCCCC1	2019199665	LWIKFBHPSZBXQP-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CC(C)CCCCCN(C)C[C@H](C)C(C)(C)C	2019344004	HWLRESRPLVGIIO-HNNXBMFYSA-N	241.463	4.817	0	10	BJAE	
Clc1cccc(NC[C@H]2C[C@@H]2C2CCCC2)c1	2022488694	DOPGFFPNEGGBHV-IUODEOHRSA-N	249.785	4.578	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C[C@@H](CC)C(C)(C)C	2022559821	JGSLZUSMKNHFQF-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(C(C)(C)C)CCC2)C1=O	2024004650	QXGCFYJABPWGIL-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@]2(C)C=CCC2)C1	2024091189	GCHZLSDXOPPIPL-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CCCC(C)(C)C1)C1CC1	2024093763	DTNKFYBMXSQTQV-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](O)[C@@H](CCC2CCCCC2)C1	2024146236	IVJGDSSBIUVJPJ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CC[C@@H](C(C)C)C1	2025625370	BEXLZHJVCGHSRR-OAGGEKHMSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)C1(C)C(C)(C)C1(C)C	2027150004	FSQKMNPPEAUEHZ-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC(C2CCC(C(C)(C)C)CC2)=C[C@@H](N)C1	2028113648	ZGGPDGCNWQZLRA-XCAIRMDXSA-N	249.442	4.523	0	10	BJAE	
Cc1cccc([C@@H](O)CCCCCC2CC2)c1C	2028619054	NGRSLLHEKNPJAD-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1CC[C@H]2C[C@@H]2CC1	2028968290	QSMCCAFCEUTMGF-AESZEHBQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](C(=O)c2cccc(C3CC3)c2)C1	2033392818	BWVBLFIKHFBZPY-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC23CCC(CC2)C3(C)C)C1	2033413002	PHKQXXNZMNKVEC-GJEMEMOUSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C2CCC1(C(=O)C1CCCCCC1)CC2	2033434354	DDUIJRMJDYQQSQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C1CCCC1)C1CC1	2035403176	IAZRMOHWLFXGRF-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@@](CNC(C)(C)C)(C[C@H]2C=CCC2)C1	2035591107	VKBTVIHNZJTDSJ-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H]1C=CCC1)C1(CC(C)C)CCCC1	2035599557	NFNSLVNGHBCLTO-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CC2CCC(C)CC2)C1	2037040073	DVXWUZOZOXFAMU-YEDNLZDLSA-N	249.442	4.523	0	10	BJAE	
Cc1oc2ccccc2c1[C@@H](N)CCCC(C)C	2037093624	LGMLDLBYMYKLJO-AWEZNQCLSA-N	245.366	4.567	0	10	BJAE	
C[C@@H](C[C@]1(N)C=CCCC1(C)C)C1CCCCC1	2037873160	ZNBWDWASMWTUNV-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CCC1=CCCC1)c1ccccc1	2038130611	HRAIDBQNVYTSGV-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC1(C)C)c1ccccc1	2038139887	YXQJAJUUTIEVRZ-JKSUJKDBSA-N	245.410	4.554	0	10	BJAE	
C1CCCC(CCN[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2038614203	LUQSZUBQOXTEHY-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)C2CC3(CCCCC3)C2)C1	2040150407	RHCDZTACDMONDC-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)C2CC3(CCCCC3)C2)C1	2040150408	RHCDZTACDMONDC-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](NC[C@]1(C)C=CCCC1)C1CCCCC1	2040684868	WIMDNMSPNKGXQF-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC([C@@](C)(N)C[C@H]2CCC=CCCC2)C1	2045304888	JWWAZEJBPZGPQM-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)C1(C(C)C)CCC1	2045817660	FZGGLQWRRQGFNH-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2CC23CCCC3)C1	2047022113	BHQQNQINNXEVFS-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCC1CC1)C[C@H]1CCC12CCC2	2047933571	VBULCFVYRUHOFU-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@H]1CCC12CCC2	2047934010	YESSCRFTLOAKEU-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1[C@H]2CCCCC[C@H]21)C1(C)CCCCC1	2048385538	LGKKETVHWKNNAJ-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@H]1[C@H]2CCCC[C@H]21	2048440584	AIGQJVLSUAWCTO-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@H](N)[C@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2049212869	VZZDYZKILJUPPN-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@H]2CCC23CCCC3)C1	2049544644	UXOHGPRTTTXJOC-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC1CCC2(CC1)CC2)C1(C)CCC1	2049866435	PGEYPZJFKGSFKL-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)C[C@@H]1CCCC2(CC2)C1	2049866589	PSSXNPRCZOGTPH-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](Nc1ccc2ccccc2c1)C(C)(F)F	2051873545	NPMUQZSYRDWSAN-AWEZNQCLSA-N	249.304	4.686	0	10	BJAE	
C[C@H](Nc1cccc2ccccc12)C1(C)CCC1	2052347126	BDELEVHNEFRTNQ-ZDUSSCGKSA-N	239.362	4.830	0	10	BJAE	
CC(C)(C)NC[C@]1(C2CC2)CCCCC12CCC2	2053355777	JUAIHUNKDRLNAJ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(F)F)c(Cl)c1C(F)(F)F	2054887872	AJNPDXKBLASBPG-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CC1=CCCC[C@H]1N[C@@H]1CCC2(CCCCC2)C1	2055671860	MLGXCYAFZIARAS-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1(C2CCC2)CC1	2059220629	COCTYEBIBSXAMZ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@]1(CNC2CC2)CC[C@@H](CC)C1	2059252377	HNFPNSMQQFOKIY-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H]1NCCC12C[C@H]1CCCCC[C@@H]1C2	2059470830	UTMKNXDZPFOZBS-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(N)CCCCC2(C)C)CC1	2061113143	MCNOQBMMCCHNCY-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC[C@]23CCC[C@H]2C3)C1	2061575293	QWUYWRGUQGMCGS-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@]12CCC[C@@H]1C2	2061618003	SFBFDZZASRTOCA-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@](C)(CNCC)CC1CC(=C2CC2)C1	2061741288	JOYORLYYCLDTCS-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC(C)(C)NCCC=CC[C@H]1C[C@@H]2CCC[C@@H]2C1	2063488719	CSFLPIQUIOZJFL-PHZGNYQRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063525301	TXXKMDGGXGIJDL-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H]1C[C@@H](CC2(C)CCCC2)CC2(CCC2)C1	2063643632	VMYJTGTWPVAOHB-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(N[C@H](CC)c2occc2C)C1	2063670986	HQRMASLBOIPZQU-YMAMQOFZSA-N	249.398	4.598	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068706075	WNTSXVOYFQNMTG-UZEIFTLVSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@]2(C)C=CCCC2)CCC1	2069341910	JUQYUVNXYKAOLG-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(CN[C@@H]2CCCC23CCCC3)CCC1	2071924057	MMXOOMWLMRSZJX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(N)C[C@@H]3CCCC[C@@H]3C2)CC1	2072794345	SOWAGOZTBPJMML-KTBIRVAVSA-N	249.442	4.501	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CCN[C@H](C2CCC2)C1	2073770839	AFXSGFCEXDVNQW-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
C1CCC(C[C@H]2CCNC3(CCCCC3)C2)CC1	2074134637	QYSYBGDMHORBBA-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCC1(C[C@@H](NC)c2cccc(C)c2C)CC1	2074642717	XOTUQESLBCPSEL-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CC[C@]23CCC(C)(C)C3)C1	2074890873	CVUXPHQZICLZBV-VYDXJSESSA-N	249.442	4.610	0	10	BJAE	
C[C@@H](N(C)[C@H]1CCC12CCCCC2)C1(C)CCC1	2075013444	TYLLQQNGFPAWSX-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
C[C@@H]([C@H]1CCCC(C)(C)C1)N(C)CC1=CCCC1	2075173037	PPXZATHDKOADEJ-HOCLYGCPSA-N	249.442	4.633	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H]1[C@H]2CCCCC[C@H]21	2077193879	DUFARKPPLUGZPC-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1(CN[C@@H]2C[C@@H]2C2CCCCCC2)CCCC1	2079525372	ACVZLHGQNKRQMT-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@]1(C[C@H]2C[C@H]2C2CCCCC2)CCCCCN1	2079640787	DJSOHCGYJZVOCA-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CCC1CC1)C[C@H]1C[C@H]1C1CCCCC1	2079821013	TWXSFNUDFGRXFI-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CCN(C[C@@H]1C[C@H]1C(C)(C)C)c1ccc(C)cc1	2080083276	PBOYVBYJGLEVOZ-GOEBONIOSA-N	245.410	4.504	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CCCCCCC1CC1	2213572025	QFZBLEJAACTOTG-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCC[C@](O)(CC[C@H]1C[C@@H]1CC)C1CCCC1	2215252193	PLFQBXZALYVCCT-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCCCCN[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216259626	UWSAYQIFSZRQJR-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)C(C)(C)CCC	2216278184	LMSZTRRCXKHCRQ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](CC)(CNC1CCC1)[C@@H](C)CC	2217124657	JHJIBFRQSVDGGJ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218331007	INMVGERDTJYXQF-YXWQFLTLSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218337730	FOJLYQLRGHHMBO-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@](CC)(CO)C/C=C/c1ccccc1	2219048287	OFFUEORHUNTZQG-KQPPXVQYSA-N	246.394	4.669	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H]1C[C@H](C)Nc2ccccc21	2220902605	RRWADEYCQGRDNX-LJISPDSOSA-N	243.394	4.801	0	10	BJAE	
CC1(C[C@H]2CCC[C@H](CCN)C2)CC2(CCC2)C1	2221028316	OSAJBOXRASIXBE-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
CC1(CC(=O)[C@H]2CCCC2(C)C)CC2(CCC2)C1	2221089797	FXLRTHHUXNJXAF-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCCC1(NC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	2222916135	IWMBNRZVIHEWLC-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@]2([C@H](N)CCCCCCCC3CC3)C[C@@H]12	2223110734	QHMCQNGRVSNNAH-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(CC2(CNC3CCC3)CC2)CC1	2223544746	DMXYHFNTKBEDSB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)c1ccc2occc2c1	2224142956	JKCGJUBTKYWIPB-AWEZNQCLSA-N	245.366	4.520	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)c1ccsc1	2243904150	ZDIFESOLSXSOPV-RYUDHWBXSA-N	236.380	4.537	0	10	BJAE	
CC(=CC[C@@H](C)CCCC(C)C)C(C)(C)N	2244844705	DTHWDZSCYXUQBZ-ZDUSSCGKSA-N	225.420	4.523	0	10	BJAE	
CC1CC(C)(C[C@H](O)C[C@@H](C)CC(C)(C)C)C1	2246527699	QJRNWKFJVOLANT-ILTLLKDXSA-N	240.431	4.636	0	10	BJAE	
CC=CCCCC(=O)C[C@@H]1CCCCC12CC2	2246614614	MMSCVRBOEHSBIX-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCN(CC[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	2246661074	VUDJUINHTICBFG-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCCC(=O)[C@@H]2C)C1	2246662368	GMMLASCZRCIHJH-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCCC(C)(C)NCC1CC2(CCCC2)C1	2246789714	DJSSSOZZVODYDE-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCCC[C@@H]1C[C@H]1C)CCC(C)(C)C	2247130545	VYZFXMRMOKHSCD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCCC[C@H]1C[C@@H]1C	2247176770	RNPQKAZIDRZZFZ-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCCCCNC[C@H]1CCC1(C)C	2247394674	QILQKNYXDBIFTN-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](O)CCC1CCC1	2248816306	RXAGLGSXIUIBIV-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@H](C)C1CCCCC1	2250372347	PFJHTVDXEFWCBC-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CC[C@H](C)CCCC(C)C)C(C)(C)C	2250469125	LGYDCRYFUCSPFI-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@H]1CCCCN1	2250472496	DRODNMPEEQJFJH-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC/C=C/CNCC[C@@H](C)CCCC(C)C	2250523924	MXTMPZJLTRAFLW-WAVCKPEOSA-N	239.447	4.785	0	10	BJAE	
CCCN[C@@H]1CC[C@H]1CC[C@H]1CCCCC12CC2	2253786871	ZDLISIQZEOQWHA-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2253921100	NSXJPNWBLDGTKM-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](NCC1CC2(CCCC2)C1)C1CCCC1	2254071675	HEMUBPKUKRVCPS-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NCCCC[C@@H]1C[C@@H]1C)c1ccccc1	2254535428	PVIADVXKNWKCIU-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@H]2CCC2(C)C)cc1	2254822790	TYGBFELLYQJSEI-HZPDHXFCSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C1(C(C)C)CC1	2255053044	QDMBUHUESFODFP-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCCC12CC2)CCC1(C)CC1	2255292069	VHHQJVRIXKFPJD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCC[C@H](C)CC1	2256142182	PGYXTYBSNQESRZ-GXTWGEPZSA-N	249.373	4.769	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C1CC2(CC(C)C2)C1	2259593484	FEVRFCYYQQWPQB-AZIWSQRMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@@]12CCCC[C@@H]1CC2	2260489127	KEYYWANNIWRCIU-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@]12CCCC[C@@H]1CC2	2260491445	WAYWLHHHHGMORQ-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCC1(CNC[C@]23CCCC[C@@H]2CC3)CCCC1	2260581723	FGIQVHHJEQTZGO-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C(=O)C[C@@]12CCC[C@H]1CC2)C1CCCC1	2260586544	HZJLANVTXNKDRU-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
CC(C)(NC[C@]12CCCC[C@@H]1CC2)C1CCCC1	2260597220	UDODMVVGKYYVGV-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cc(C[C@H]2C=CCCCC2)ccn1	2260693810	DOZNKPVCCSMQBU-AWEZNQCLSA-N	243.394	4.668	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H]([C@@H]2C=CCCCC2)C1=O	2261451919	WMJGGWCQHLSSSZ-ZIAGYGMSSA-N	248.410	4.764	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cc(C)cc(C)c1	2300680536	FKGVWRFNRSQVBX-MRXNPFEDSA-N	233.399	4.520	0	10	BJAE	
CCC(CC)CCN(C)C1CCC(C)(C)CC1	2300686005	LEXQGJIREFBTNF-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC(=CC[C@H]1CCCC[C@@H]1N)CCCC(C)C	2300901596	LCBUIZPJLNDIBN-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCCC[C@]1(O)CC1CCCCCC1	2301209011	XYUDTHWQZUGLRA-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](C)C[C@H](C)CCCC1=CCCCC1	2302359696	TYCAMNRPYNVQKX-CABCVRRESA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@](C)(O)CC[C@H]1CC[C@@H]1C1CC1	2303184266	XUUIWLMGAAXITC-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)c2ccc(C)s2)CC1	2303459309	QBTSDVRIDBKSTB-ZIAGYGMSSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](C)CN(C)CC[C@@H]1CCC(C)(C)C1	2304395194	ZEBWBKJUFJKJLE-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC[C@@H]1CCC(C)(C)C1	2304400485	WRQFWJCEKNUDEG-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)[C@H](CC[C@@H]1CCC(C)(C)C1)NC	2304412055	RCTFLMPLMBISIB-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CC[C@@H]1CCC(C)(C)C1	2304417409	CGMVAXJPYVPMOL-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@@H]1C[C@H](CC)CCC	2307902523	LFSYGAXRGYZXQP-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)CC1(C)CC1	2307905505	XIINPTCVIYCMIJ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](C)C[C@H](NCC)C1	2307908812	RFJXKPPLYNOCAX-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CN1CCCC12CCCCC2	2307911312	UPQJUBAMHCWSJL-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	2308505736	JQMPNUXZSRCZFP-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)[C@@H]2CCC[C@H]2C(C)C)CC1	2310348778	OSLIHKZCOFKZHR-QMCVQRASSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2312823592	RYJUIIRBEBWVDF-XJNFMUPTSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](c1ccc(C)c(CC)c1)[C@@H](C)CC	2314703267	VFYUXCRMUUIVMH-GUYCJALGSA-N	247.426	4.644	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@]12CCCC[C@@H]1CC2	2316510595	VRQOTAZDFACBBU-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(=CCN(C1CCC1)C1CC1)CCCC(C)C	2316517591	WSKKLXVLFBXENU-UHFFFAOYSA-N	249.442	4.776	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316875384	VZAFGRWDHJACQC-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317121396	LDAPSIZPKBANBB-FPCVCCKLSA-N	248.410	4.764	0	10	BJAE	
CCCCC[C@@H](O)CC(C)(C)Cc1ccccc1	2317220672	OQSBRLATXHCPGW-MRXNPFEDSA-N	248.410	4.587	0	10	BJAE	
CCN[C@H](c1ccccc1C)[C@@H](C)[C@@H](C)C(C)C	2317827893	OKHQOPLVINZCJV-ZOBUZTSGSA-N	247.426	4.574	0	10	BJAE	
CCCOc1ccccc1N[C@@H](C)[C@@H](C)C(C)C	2317940725	KRWULDZXZVYFFI-KBPBESRZSA-N	249.398	4.568	0	10	BJAE	
O=C(CCCCC1CC1)C[C@@]12CCCC[C@H]1CC2	2318870368	HVIGVFLQAFMJRY-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)[C@H]2CCC(C)(C)C2)CC1	2318993091	JJLCADWJDYAHOD-CWRNSKLLSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cc(F)ccc1C1CC1	2319176153	NODZUTMVGJHYAT-WDEREUQCSA-N	248.341	4.568	0	10	BJAE	
Cc1cccc(C)c1OCC[C@H]1CC[C@H]1C1CC1	2319748600	KLSQOOHOFYZFJH-CVEARBPZSA-N	244.378	4.509	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CC[C@@H]2C(C)(C)C)cc1	2320258170	KNUACSKZIAUDKW-CABCVRRESA-N	244.378	4.640	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@@H]1CC(=O)C1CC(=C2CC2)C1	2320314483	YHXKIWFLSSRLFS-DOMZBBRYSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@@]12CCCC[C@H]1C2	2320324869	NTMGVPAIMVUNRG-SZOQZIPDSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](Nc2cccc(C(C)C)n2)CC1	2320392987	ANQZWYAJAAEZIA-AWEZNQCLSA-N	244.382	4.506	0	10	BJAE	
CCC1([C@H](C[C@H]2CCC(C)=C(C)C2)NC)CCC1	2320394361	OVOBSRAJPBFSJL-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCCCC[C@H]2C)c1	2321088947	GYKCALKLMVUTLB-MLGOLLRUSA-N	249.373	4.769	0	10	BJAE	
Cc1cccc(F)c1NCC[C@@H]1CCC(C)(C)C1	2321526451	DYZFIVCLKYAFTJ-ZDUSSCGKSA-N	249.373	4.762	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CCc2cccc(C)c2N1	2328184066	SRCWUXMYOVBRDT-GDBMZVCRSA-N	245.410	4.938	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)[C@H](C)c1ccccc1	2328267817	DJIFGQBISWGKBE-BFYDXBDKSA-N	247.426	4.595	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)[C@@]12C=C[C@@H](CC1)C2	2328281981	LMEKUDVEFVPBMM-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccccc1Cl	21505019	QPWVHVDOXLMOLF-LLVKDONJSA-N	225.763	4.721	0	10	BJAE	
CCCCCCN[C@H](c1ccccc1)C(C)(C)C	36994555	IZKFALGVIXQSMO-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CC[C@@H](N[C@H](CC)c1cccs1)c1ccco1	54106474	GWFMWAVDTDYILT-VXGBXAGGSA-N	249.379	4.533	0	10	BJAE	
CCCC[C@H](CC)NCCC1CCC(C)CC1	70538645	LPUHNZDPVOOPIU-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](NC)C(C)(C)C	71083927	IXLVPCSEGAWLFU-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCCc1ccc2nc(Cl)c(C)cc2c1	71136952	SRFFVXYNTFUSPV-UHFFFAOYSA-N	233.742	4.539	0	10	BJAE	
CCCC[C@@H](NC)c1ccc(C)c2ccccc12	79904844	KZWFUEJGWZYAMD-QGZVFWFLSA-N	241.378	4.599	0	10	BJAE	
CC(C)c1ccc(C[C@@H]2CCCCC(=O)C2)cc1	80386207	GETJYQUKCJISCL-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
CCCCC(=O)C1CCC(C(C)(C)C)CC1	83783500	YWXMKKOERZQBEA-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@@](CC)(CO)CCCC	85038315	FTDXQCWLQKFNLZ-AWEZNQCLSA-N	214.393	4.536	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H](CC)[C@H]1C)c1ccccc1	86092039	HGNNPRXAFBVHKY-YQFWSFKMSA-N	245.410	4.552	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C1CCCCCC1	94676692	OBNHJKCXGZAZFG-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](NC[C@@H](C)CC)c1ccccc1	103973275	NWNMFTVDIKDMFP-RDJZCZTQSA-N	247.426	4.944	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C(C)C)[C@@H](C)NCC	109669268	SPPXZFKXYNIKJN-OWCLPIDISA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)CC(C)(C)C)cc1	109785808	KFBVRLLAHDFONX-DOMZBBRYSA-N	234.383	4.670	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	131382451	PHHSDSDZSIGXJF-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)[C@H](NCC)C(CC)CC	132628530	HVPHYUFYVGGPQM-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCN[C@H](c1ccccc1)C1CC1	134279791	XFEAQLOTLWNZBC-QGZVFWFLSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CCC[C@H](N[C@H](C)C2CCCCC2)CC1	149410901	HTLVSKJPKOQODG-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CCC(C)C)CC1CCCCCC1	158718216	YCQZMPUYLTZHLJ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCC[C@@H](C)[C@@H]1C	222322544	RCPYMEWUWPYWAG-QXSJWSMHSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1CCCC1(C)C	226780068	VVVAUIREFACQKK-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@H]1CCC[C@@H]1C	226810397	MBCUPBIDYSHURW-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(=O)CCCC(C)C)c1ccccc1	229450044	HFSUCULZSZFZGS-HNNXBMFYSA-N	232.367	4.576	0	10	BJAE	
CC(C)(C)c1ccc(-c2cc(=S)cc[nH]2)cc1	232517068	HRCBTKPHUVSSRW-UHFFFAOYSA-N	243.375	4.709	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1c1cccc2c1NCCC2	233925011	BWHQFBIDUOJAIN-UKRRQHHQSA-N	243.394	4.729	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1C[C@H]2CC[C@H]1C2	250364927	MHQGLVNGDKPEED-XEZPLFJOSA-N	243.394	4.585	0	10	BJAE	
CCCCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1N	250840829	XRVOHLIJNMRZAQ-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)c1coc(C)c1	302251573	KUFVESXAMTYSDN-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CSc1sc2cc(S)ccc2c1Cl	306751609	NPHAZWRFVOHGIZ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Cc1cccc(C)c1NC[C@@H]1CCC[C@@H](C)C1	310215796	FUTYVLPQQWYLMY-IUODEOHRSA-N	231.383	4.542	0	10	BJAE	
CC(C)(C)CC[C@@]1(O)CCCC12CCCCC2	313057470	YGBVNJGYNMZIAF-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@]1(CNC(C)(C)C)CCC[C@H](CC)C1	317951561	IERARZKXGMBJQG-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@]1(CCC(C)C)CCCC[C@@H]1C	319208935	RNIIEGVYNCTLPR-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(N[C@H]2CC3CCC2CC3)cc1Cl	381933681	RLAXZNPPBPBMAF-QOZQQMKHSA-N	249.785	4.639	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC1CCC(C)CC1	383526688	PRZSDLBBESKPHY-SSHXOBKSSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C[C@H](O)C1(C)CCCCC1)c1ccccc1	384303959	KAYBTERFIPOHLW-HOCLYGCPSA-N	246.394	4.512	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)C[C@H](C)c1ccccc1	384314806	MTAWZFWHXHABPC-UAGQMJEPSA-N	246.394	4.512	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CCC1=CCCCC1	386254261	JOBAJPOFFBRPKA-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC12CCCCC2	387125255	LCAMJNMPMXVAGL-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)C(=O)CC1(C)CCCC1	390566890	LXSQLBXASKOKHQ-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCC1(CC(C)C)CC1	391831682	PVBZSLKKJZNNJL-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)[C@H]1CC[C@H](CC)CC1	393285549	ABEYRJQYRMPLHV-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC1(CN[C@H]2CC[C@H](C)CC2)CCCCCC1	394632781	QYDLGYALEXQHJA-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@H]1CCCC12CCC2	394879822	ZNICHEPAOBILII-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c2ccsc2c1C(F)(F)F	396193560	GWMLKMFEFQLZFH-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H](CN)[C@@H](CC2=CCCC2)C1	400673335	WCSBNQYNCWXHDB-OWCLPIDISA-N	249.442	4.524	0	10	BJAE	
CC(C)(C)C1CCC(CN)(CC2=CCCC2)CC1	401135506	WDSBIIXPUJIMHI-UHFFFAOYSA-N	249.442	4.668	0	10	BJAE	
CC1CCC([C@@H](N)c2cccc(C(C)C)c2)CC1	688938074	IJRJQRNJLHRARO-MQBCKMQZSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](C)Nc1ccc(C2CCC2)cc1	690149757	MGQSPQUNMVPNBI-GFCCVEGCSA-N	217.356	4.555	0	10	BJAE	
CC(C)(C)C1CCC(N)(C[C@@H]2CC=CCC2)CC1	690291688	GCKWNKBDNNXYNL-HPUBIQBYSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1CCCCC[C@H]1C	691092600	YKQMQNGWNFCEOB-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CCCC(C)(C)C	691190782	WQIBYRUKFFKODR-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](N[C@@H](C)CC1CCCCC1)c1ccco1	694623951	ZKCOZCSIJTVQIF-ZFWWWQNUSA-N	249.398	4.679	0	10	BJAE	
CCC[C@H](CCCCC(C)(C)CC)NCC	696706511	ZTGCLVARHXNTQC-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CC(C)=CCC[C@H](O)c1ccccc1C(C)(C)C	697580653	JMSAWVZQWYSMCB-INIZCTEOSA-N	246.394	4.764	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@H](O)CCC(C)(C)C)C1(C)C	699074284	AJWWYWRIPBYCSL-XJKCOSOUSA-N	240.431	4.636	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	704926541	LRCVZSFPKQAUPA-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](C)COc1cccc2sccc12	705066863	OIUNYHLZTBFUJU-LLVKDONJSA-N	234.364	4.716	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@]2(C)CC2(C)C)CC1	705325330	HXYZYGFGOVTCPV-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C1CCC1)C1CC1	705328280	ZQAHGVZEWOIZRW-KRWDZBQOSA-N	243.394	4.548	0	10	BJAE	
CC[C@@]1(C[C@@H](C)CC(C)(C)C)CCCCCN1	709195428	ZXJVSNGAHICSIN-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@H]1CCCCCC1=O)CC(C)(C)C	709273147	MVZUQSBOOTWORS-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCCCCC(=O)C[C@H](CC)C(C)(C)C	711175502	FKSWZEQTEIBPPA-ZDUSSCGKSA-N	226.404	4.988	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C1(C)CCCC1	713232982	SCUOKJITPZMAKR-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)Cn1ccc2cc(Cl)ccc21	713239065	GRSBWQGMVHRZSL-UHFFFAOYSA-N	249.785	4.977	0	10	BJAE	
C[C@@H](CC(=O)CCCC(C)(F)F)CC(C)(C)C	718658434	FOZLENGVKKPSNR-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1cc2c(s1)CCC2	718733335	XGUNDUWVSNQDKJ-UHFFFAOYSA-N	248.391	4.556	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1CCC12CCCC2	719294826	BBYDTRNFSBQROP-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
O[C@@H](CCCC1CC1)c1ccccc1C1CCC1	720170570	GBZIPWTULZEBDI-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CCC(C)(CC)[C@H](CCC1=CCCCC1)NC	721699840	QACKWWWYQMVXAC-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(O)cc1-c1csc2ccccc12	1238889838	IAFUMBJPLGEVNF-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1NC[C@@H]1CCC=CCCC1	1308975315	TTYZLOHFCJJGRF-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](CSC1CCCCC1)CC(F)F	1458832729	HROMDYBUJUSHJK-SNVBAGLBSA-N	236.371	4.734	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N(C[C@H](C)CC(C)(C)C)C1	1643089847	JSIMBGGMXXBQLH-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CCC[C@@H](C)[C@@H]1C	1652308590	BQPJABXUJJELBX-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C[C@H]2CCC[C@@H]21	1660193575	IIIYTVLVGZGDLL-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
CCC(C)=CC[C@H](N)C[C@H](CC)C(C)(C)C	1900885872	SWZUDDMTIFZHAK-KBPBESRZSA-N	225.420	4.523	0	10	BJAE	
CCC(C)=CCC(=O)C[C@@H](C)CC(C)(C)C	1900901650	WGMOBUDRWKEWBR-CYBMUJFWSA-N	224.388	4.764	0	10	BJAE	
Cc1csc(-c2nc([C@H]3CC3(C)C)cs2)c1	1901911525	GTXWBIZITPQNBB-SECBINFHSA-N	249.404	4.694	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@H](CC)CCC	1905374527	PELNTXQVCGPCBP-HIFRSBDPSA-N	228.420	4.780	0	10	BJAE	
C=CC=CCCC1(CNCC)CCC(C)(C)CC1	1911842144	JTCZUJHTEDJIFC-UHFFFAOYSA-N	249.442	4.705	0	10	BJAE	
CC=C[C@@H](NCCC)c1cccc(C(C)(C)C)c1	1911972226	YLCVJLOJHSRQAC-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CC=C[C@H](NCCC)c1cccc2ccsc12	1912032012	YYQIWRSYUYEOQH-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
O=C1CCCCCCCC[C@H]1CC1=CCCC1	1913417582	ZXNFKAVPQRUXQL-HNNXBMFYSA-N	234.383	4.807	0	10	BJAE	
c1ccc(N[C@@H]2CCC3(CCCCC3)C2)cc1	1915907964	KGEGKQJYGIUIQB-OAHLLOKOSA-N	229.367	4.602	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC3(CCCC3)C2)c1C	1916426198	HPUKOAMPNKZAKK-OAHLLOKOSA-N	243.394	4.828	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H]2CCC3(CCCC3)C2)C1	1916430864	OCHOMWZMAPDWJY-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NC[C@@]1(CC2CCCC2)C=CCCC1	1916570392	ZSDMXYOHNBANPX-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC([C@@](O)(CC)C[C@H](C)CC)CC1	1919962547	VCYGNIMQPROXQW-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC1(C)CCCCC1	1920189953	RSBFPEFEZBFCDK-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC1CC([C@H](N)c2ccc([C@@H](C)CC)cc2)C1	1921203925	PCOSYMIPJRMYAQ-ZJOIDMRUSA-N	245.410	4.636	0	10	BJAE	
CC1(C)C[C@H]1CCn1ccc2ccc(Cl)cc21	1921454608	UBTHHHJRTOKSLR-GFCCVEGCSA-N	247.769	4.731	0	10	BJAE	
C1=C[C@@H](Cc2cccc3ccncc23)CCCC1	1925831289	YRTVBFWLEOKFRJ-CQSZACIVSA-N	237.346	4.524	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@@H]1C=CCCCC1	1925923757	GHSIWSBRBXKUOH-PMPSAXMXSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CCNCC[C@H](C)c1ccccc1	1926175970	MJFVSVWZGXRYIK-HNNXBMFYSA-N	247.426	4.596	0	10	BJAE	
CCC(CC)C[C@H](CC1CCC=CCC1)NC	1926340090	SNWNLYOXEPUIOZ-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](NC)c1cccc(C(C)C)c1	1926372271	OVECJANOAPNELW-KRWDZBQOSA-N	247.426	4.897	0	10	BJAE	
C[C@@H]1CC(=C2CCC(C)(C)C[C@H]2CN)C[C@@H](C)C1	1927148049	UVGZTXVNGWMOFK-YDHLFZDLSA-N	249.442	4.524	0	10	BJAE	
CCC(C)(C)CCC(=O)CC[C@H]1CC1(C)C	1935912089	BAUUSOYYMTVCRT-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C[C@@H](O)c1cc(C)cs1)C(C)(C)C	1939445154	WWRAAZGHEJLQOE-NWDGAFQWSA-N	240.412	4.552	0	10	BJAE	
CCCc1ccccc1CNc1cscc1C	1940936233	TVTSICCAWMTACL-UHFFFAOYSA-N	245.391	4.621	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)C1CCC(CC)CC1	1941250469	GKXPRLAYUNZJQZ-SSHXOBKSSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H](CC(C)C)C(C)C	1941264292	QTJPHNFPSNLSDK-GJZGRUSLSA-N	241.463	4.848	0	10	BJAE	
CCC1CCC([C@@H](O)[C@@H](C)CCC(C)C)CC1	1942656712	DRZANJISEYHSMJ-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)[C@H](C)CCC(C)C	1942658055	OSWAZKXODONZHT-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CC(C)(C)CCCN[C@@]12CCCC[C@H]1CCC2	1944188541	DNABNCLVOGHDDS-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC1C[C@@H](C)C[C@H](C)C1)NCC	1944201392	BMISZCKMCNTXCG-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@H]1CCC[C@H]1C	1944844944	CZTPRDHQSZAIJD-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCCCCCC1(F)F	1947297728	LCQSPOCOMMMXKF-QWHCGFSZSA-N	247.373	4.513	0	10	BJAE	
CC(C)(C)C[C@@]1(O)CCCCCCCC1(F)F	1947526495	RWDBZABWMHOLGR-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@H]1C=CCCC1	1947581403	LUEUGEAFFOODCX-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
C1=C[C@@H](CNc2ccc3sccc3c2)CCC1	1947583734	BDDHRNDEOUXJQI-GFCCVEGCSA-N	243.375	4.670	0	10	BJAE	
Cc1cc(N[C@H](C)c2ccoc2)c(C)cc1Cl	1948810128	UMYNFPYQQXMUOE-LLVKDONJSA-N	249.741	4.723	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)CC2CCCC2)C1	1949861921	KSEVAOIXMDUGGA-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C[C@@H](C)C(C)C	1949918718	ULNBPZKAGHUOPC-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1CCC2(CC2)C1	1950261262	SPEFIYSVWHLFEN-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)c1nc(CCC)cs1	1960043687	HEDGXYNEWUPLJW-LLVKDONJSA-N	225.401	4.779	0	10	BJAE	
CC1(C)CCC[C@H](CN2CCCC23CCCC3)C1	1962981345	ZBBFIACMIMRSAU-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCCCC1CC1	1966209109	IGVLYFWHSISGMH-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc(F)cc1NCC[C@@H]1CCC[C@H](C)C1	1968312880	RTFJIRPHXZUJCB-JSGCOSHPSA-N	249.373	4.762	0	10	BJAE	
CC[C@H](Nc1ccc(F)cc1C)C1CCCCC1	1968366533	IPRGSHDJJQDWQN-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCc2c(C)cccc21	1969351924	YQFZBHJAHDFCSH-QGZVFWFLSA-N	245.410	4.541	0	10	BJAE	
CC1(C)CCCC[C@H]1Nc1ccc(CCF)cc1	1970093956	WCFBYIBBOBJHIC-OAHLLOKOSA-N	249.373	4.579	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCC2CC3(CCC3)C2)C1	1973745270	UXZGWRMVSXGLMB-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCC[C@@H](CCCC)NCCC	1984631616	DRNIXKMVWUSVJM-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CCCCCC[C@]1(C)CCN[C@@H]1CCCC	1984731277	ZILQFHOFEBSJOZ-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
C=C=CCCc1cccc(Cl)c1C(F)(F)F	1985444775	SCMPLNOKFYZZPG-UHFFFAOYSA-N	246.659	4.633	0	10	BJAE	
CCCC1(C[C@](O)(CC)CCC(C)C)CC1	1990617482	DDQSETYBUSSZAW-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)c1nc([C@@H](C)OC)cs1	1990974064	VZJUQVGNIRUFTR-MNOVXSKESA-N	241.400	4.534	0	10	BJAE	
CCCCCc1ccc([C@H](O)CCCC)s1	1991772592	RUPUGWQELQMZON-CYBMUJFWSA-N	240.412	4.704	0	10	BJAE	
CC=C(CC)[C@@H](NCC)C(CC)(CC)CC	1992055976	FNFRORDHPJPKMY-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
Cc1ccc(Cl)c(F)c1C[C@@H]1C=CCCC1	1993688687	NBJFXRGRUBDXMP-LLVKDONJSA-N	238.733	4.686	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1cccc(C)c1Cl	1994201402	PYVWQDKFBUJDNM-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CCCSc1ccccc1NC[C@H]1CC1(C)C	1996563290	CYPRPANFHOZBDH-GFCCVEGCSA-N	249.423	4.647	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1CC(C(C)(C)C)C1	1998240905	PTGUWAOUOCSOER-UHFFFAOYSA-N	236.399	4.764	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@@H]1CCC=CCCC1	1999999641	VAAFCPQLLFIAFY-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@H]1CCCC[C@@H]1CC	2000318314	CMAYKODANKJXDL-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CCCC1CC1)NC	2000334446	FFSXJBPBESFGAH-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)C1(CCC)CCC1	2000387462	KWPRHWNUCHCYOB-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CNCC)[C@H]1CCC[C@@H](CC)C1	2000521605	WQWNDSRNWPGOKX-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H]1[C@H]2CCCCC[C@H]21	2002213060	XDWTVDPXEBUPDZ-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H]1CCCCCCC[C@@H]1O	2003115747	CZPPRVIZCTXODT-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H]1CCC2(CC2)C1	2003210328	DCSQQCBSOIODKN-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CNCC(C)(C)C(C)(C)C	2004712313	RQIVULBRQLPVON-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CCCCC12CC2	2005593174	ZLXYICRSJLLNAT-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(=O)[C@@H]1CCCC[C@H]1F)C(C)(C)C	2006748513	WXJWONWTUKPBDL-JHJVBQTASA-N	242.378	4.546	0	10	BJAE	
CCC1(CC)CCC(O)([C@H]2CCC[C@H]2C)CC1	2006775609	WAPPBEFFFSPUTD-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1C(=O)CC(C)(C)C(C)C	2007623878	XRCPEUVZDDRNTE-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
C/C=C/C[C@@]1(CNCCC)CCCC(C)(C)C1	2008071148	AYTMLLPDDPATFA-BIENSFFJSA-N	237.431	4.539	0	10	BJAE	
CC(C)NCC1(CCC2(C)CC2)CCCCC1	2009546668	GJAZOGJAPOVMLE-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H](C)CC(C)(C)C)NC	2009619567	MSISBEZFSRDJBI-MHKRFPNSSA-N	239.447	4.783	0	10	BJAE	
CCN[C@@H](C[C@H](C)C1CC1)C(CC)(CC)CC	2011186121	HPPIEVHZPMUYGV-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H]1CCCCCC12CC2	2011272795	VHWSSZQFJRGLBX-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCCCCCC(=O)CC1C[C@@H]2CCC[C@H]2C1	2012002912	RQLIDQIYFZKONH-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2012008722	JRSQOXTXSCWDNV-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)[C@@](CC)(CNC(C)(C)C)C(C)C	2012440349	PUGLSJOTWYXPIN-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CC[C@@](O)(CC12CCC(CC1)CC2)C(C)(C)C	2012821146	XKYQPTLDDRZEST-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CCCCCCCCC1	2013184541	LNOQAMWVOHHDLE-HZPDHXFCSA-N	237.431	4.611	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@H](C)C(C)C)CCCC1	2015274894	MAKHCHDEHDSZEJ-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
c1cc(NC[C@]23CCC[C@H]2C3)c2sccc2c1	2016320975	ZRCCRQKPZILFJX-SWLSCSKDSA-N	243.375	4.503	0	10	BJAE	
CCCN[C@@H](C=C(C)C)C1(C(C)(C)C)CCC1	2017131272	NJPOXTKNOXZSIT-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)[C@H](N)C1CCC(C(C)(C)C)CC1	2017478552	SICBWPFAQLPDNI-NRXISQOPSA-N	237.431	4.523	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CC1CCC(C)CC1	2019160318	BVYMCGZIBVTFBH-PCKAHOCUSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H]1[C@@H](C(CC)CC)CCCC1(C)C	2020365086	VFIJLGKWSRPDRX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C=C[C@]1(C)CNC(C)(C)C1)CC	2022134398	KYJJMGUWTDRGRQ-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@@H](C[C@H]1CCCC(C)(C)C1)NC	2024090718	AVZMJBBBLHDLKE-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CCCC[C@H]1C	2026074082	KLJBIFBVRHVZGC-RRFJBIMHSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C2(C3CC3)CC2)cc1	2028111758	IMIBIARWMBYSEO-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)c1cc2ccccc2o1	2028252627	PQIRERYSARAYTO-BBRMVZONSA-N	245.366	4.505	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)c1ccc(C)cc1C	2028262872	KWZIEBIPXXGKOD-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)c1cccc(C2CC2)c1	2028551273	DMVLURSVQZNVFM-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CCCCCC[C@@H](NC)c1cccc(C2CC2)c1	2028551743	JFRXEQXIUBJMNK-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)[C@H](C)CCC(C)C	2029835424	GDIMFIGFWMATSB-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CC[C@@H]1C1CCCCCC1	2031753999	FYUZJRQTAAVMEA-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
C[C@H](CCN[C@@H]1CCCC12CCCCC2)C1CC1	2032219940	MNSFCDZPOKJWSQ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@@H]2CCC[C@@H]2C)cc1	2032482774	CFTZXBCHBCEDQH-BBRMVZONSA-N	244.378	4.819	0	10	BJAE	
CCC1CCC(CNC)(C[C@@H]2C=CCCC2)CC1	2035603797	WWHAHJNJBSTYAB-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H]2CCC[C@@H](C)C2)c(C)c1	2037047313	BSROVSVLLAFMGG-PVUWLOKVSA-N	245.410	4.520	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@@H]1CCC[C@H](C)C1	2037051350	XZPITBVTPJLBPC-JJRVBVJISA-N	245.410	4.636	0	10	BJAE	
N[C@]1(C2=CCCCCCC2)CCCC[C@H]1C1CC1	2037074278	ISKOXZNVHZCBPF-IRXDYDNUSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@H](CC[C@@H](C)c1ccccc1)C(C)C	2038071520	IYCSLLOOXNQIDJ-NVXWUHKLSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H](NC[C@@]1(C)C=CCCC1)C1CCCCC1	2040684871	WIMDNMSPNKGXQF-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2cccc(F)c2)CC1	2041383276	MOWPTXNSGUQPMF-CHWSQXEVSA-N	248.341	4.615	0	10	BJAE	
CCC[C@H](NC[C@@]1(C)CC=CCC1)C1CCCC1	2042072068	MLMRDJZEJDTOOU-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CC([C@@H](N)CCC2=CCCCC2)C1	2043003022	AFPMUSSNINVNSR-GPANFISMSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CCCCN1C[C@H]1CCC=CCCC1	2045313410	YKNGYEUFLORAAC-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@@H]1CC(C)=C[C@H](C)C1	2045758858	RKAGYFZYDJHPRJ-RRQGHBQHSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]1NC1CC2(CCCCCC2)C1	2046230927	ZGWZAZYFIHRWER-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CCCC1CCC(N)([C@@H]2[C@H]3CCCCC[C@H]32)CC1	2049211451	KVZSRPIYFCKJCD-LJEMCRLJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C[C@@H]2CC=CCC2)C1	2049539830	JPUSXRZMPUDTAR-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCCC2(CC2)C1)C1(C)CC1	2049863203	XSEKCPQCJDDNBH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CNC2C3CCCC2CCC3)CC1	2050044928	URFQGUTWKBXLCK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(COc2cccc3c2CCC3)CCCCC1	2050412324	BSDBETMRGKIXFL-UHFFFAOYSA-N	244.378	4.525	0	10	BJAE	
CCCN[C@H](CCCC1CCCC1)c1ccco1	2050526427	YAVXBVZUZLCQAO-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CC(C)(C)C1CCC(CC(=O)c2ccco2)CC1	2050528128	POIISVMIRZHKHE-UHFFFAOYSA-N	248.366	4.705	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CC2C[C@H](C)C[C@@H](C)C2)C1	2054989979	YZDMSSYWKGFOOH-KCYZZUKISA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC(C)(C(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2056535954	LGPTUPNQSOTRMQ-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCNCC1(CC2(C)CCC2)CCC2(CC2)CC1	2056557860	YNOSZRMAWUQYPQ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@@H](N)c1ccccc1-c1ccccc1	2058795131	SNNPHWHITPAUMH-QGZVFWFLSA-N	239.362	4.544	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@H]1C(C)=CCC[C@H]1C	2059174074	VBVJYZZAKRIRMW-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCC	2059253272	PFWGTOKWHZPHIJ-DZVWSGNESA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCC=CCC1)C12CCCC1CCC2	2063859643	XIYXKLLCIUYYKQ-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)[C@@H]1CCC1(C)C	2068284851	AMQXOWNLORUUEF-ZFWWWQNUSA-N	245.410	4.794	0	10	BJAE	
CCC1(C[C@H](NC)[C@@H]2CC(C)=C[C@@H](C)C2)CCC1	2069281628	ZNWADZGQOBUPTB-KBMXLJTQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1(C(C)(C)C)CCC1)c1ccco1	2071941360	SMEORNDRVARIOF-CYBMUJFWSA-N	249.398	4.537	0	10	BJAE	
CCCC1CCC(CN[C@H]2C=C(C)CCC2)CC1	2072803977	NOOGRERUORXZEU-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@](O)(CC)c1cccc(C(C)C)c1	2073341335	JVQVEFZUJLMHJT-QGZVFWFLSA-N	248.410	4.988	0	10	BJAE	
c1cc(NC[C@]23CCCC[C@@H]2C3)cc(C2CC2)c1	2074046300	JQZXYLHTZVQOIR-NVXWUHKLSA-N	241.378	4.556	0	10	BJAE	
CCCC1(COc2ccc(C(C)(C)C)cc2)CC1	2074562773	KEBQZXGNOHXWIP-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@@H](C)C2CCC2)o1	2077986692	MXYUFFCLBKWXRE-LBPRGKRZSA-N	248.366	4.631	0	10	BJAE	
CCC[C@]1(C[C@@H]2C[C@@H]2C2CCC2)CCCCCN1	2079312204	ORRKYPRWLJCVSU-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1C[C@@H]1C1CCC1	2079337448	OBRBURBYRGGNHT-GDBMZVCRSA-N	244.378	4.625	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)[C@@H]1C[C@H]1C1CCCCC1	2079488242	UGOWFDDUKBUOCB-VNQPRFMTSA-N	246.394	4.518	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@]12CCCC[C@@H]1CCC2	2079840677	DKIDRYAXSUTEEP-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(C[C@]2(N)CCC[C@@H]3CCCC[C@@H]32)C1	2081134792	XJQNJYXKLZIPEF-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@]1(CC=C2CCC2)CCC[C@@H](C)C1	2081676603	WHJGQCFUNUDZRG-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCC[C@@H](CC2(CN)CCC=CCC2)C1	2082984519	BNVUIFTXYGDWGZ-OAHLLOKOSA-N	249.442	4.668	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@@H]1CCC1(F)CCC1	2084766454	FNWMGKFWCNFNGK-QWHCGFSZSA-N	247.357	4.504	0	10	BJAE	
CCC1CC(CC(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2085001949	TVRSPTRVAGMCRW-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1scc(C)c1C	2210579219	VQVOVVDLGZQCGX-QWHCGFSZSA-N	239.428	4.581	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213270538	GDSPSCQWUSYSKJ-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@]1(O)CCCCCCC1CC1	2213580870	PSRKZSNEFHSYDK-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCC1CCC(O)(CC[C@H]2C[C@@H]2CC)CC1	2215235462	CMRXMXVLVPJNHS-PYBGIAKNSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](NCC)C1(C)CC2(CCC2)C1	2215374785	MSOSVNDJIHZWMJ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1cscc1C(=O)CC1(C)CC2(CCC2)C1	2215438460	VPSVQWITPNSHSB-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CCCN[C@@H](CCC(C)(F)F)C(C)(C)CCC	2216285207	JHPPXWGRGILRQB-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC(C)c1ccc(NCCCCC(F)F)cc1	2216468687	RLEDKJAUNPFUGH-UHFFFAOYSA-N	241.325	4.657	0	10	BJAE	
CC(C)(C)C(=CCCCCCCC1CC1)CN	2216860297	AFIPUFVRSVFDGK-UHFFFAOYSA-N	237.431	4.668	0	10	BJAE	
CC[C@](C)(CNC1CCC1)[C@H](C)CCC(C)C	2217140208	IQCWLVMTAHENHW-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
N[C@H](CCC1CCC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218351794	ZKISIRJZWQKHRH-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)[C@H]2CC(N)(CCCCCCC3CC3)C[C@@H]21	2218720840	MNYNIRVTYJXBNQ-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@](CC)(CO)CC=Cc1ccccc1	2219044060	OFFUEORHUNTZQG-KRWDZBQOSA-N	246.394	4.669	0	10	BJAE	
O=C(CCCCC1CC1)C1CC2(CCCCC2)C1	2220017753	WNAFLOJRDWTCFP-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1=CC[C@@](C)(NCCCCCCC2CC2)CC1	2221606408	DYXDVNZRWKUOCV-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H]([C@H]1CC1(C)C)[C@@]1(C)CC=C(C)CC1	2221608569	AVJLIEJMZQCFPT-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
C=C=CC[C@@H](CCCCCCCC1CC1)NCC	2223108060	BXXBVWHXJQYWAH-KRWDZBQOSA-N	249.442	4.836	0	10	BJAE	
CN[C@@H](CCCCCCCC1CC1)C1CC=CC1	2223117748	AQXUQFQDBWXPRS-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
Clc1csc(C[C@@H]2C=CCCCC2)c1	2242276769	CDFVOFWBURTUNM-SNVBAGLBSA-N	226.772	4.690	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@H]1CCC12CCC2	2247307540	CSYAVWIHEZDWRP-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCC(=O)[C@@H]1CCCCC[C@H]1C[C@H]1C	2248876244	BHGMUUIZDHIOSJ-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C)[C@@H](C)CC[C@@H](C)CCCC(C)C	2250478895	NIRUXTNGJGMMDU-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@H](C)C(C)C	2250482140	SEAGVWXZYHYGNB-XHSDSOJGSA-N	241.463	4.848	0	10	BJAE	
C[C@H](C(=O)C[C@@]12CCCC[C@H]1CC2)C(C)(C)C	2251210766	GWBFYVZSFZRZRY-WWGRRREGSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC1CC1)C[C@H]1CCCCC12CC2	2253826540	YFVKYVSUZROQES-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@]1(CN)CC[C@H]1CCCCC12CC2	2253853419	LKMZUNXLHFZQPL-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
Cc1cccc([C@H](N)CCCCC[C@@H]2C[C@@H]2C)c1	2254540121	XDTVBVYDGBYDLR-ZMSDIMECSA-N	245.410	4.601	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@@H]1CCC12CCC2	2254978154	PDOFTJZLTUNOCJ-DZKIICNBSA-N	246.394	4.518	0	10	BJAE	
C(CCCCCCC1CC1)=C1CCCNCCC1	2256981578	HLDFDDUCGKQKGD-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@H]1CCC2(CC2)C1	2257238188	COZYCMAHZGNXOP-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@H]1CC12CCCC2	2257311027	KLLJHXOLFQAJSQ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)C[C@@]12CCCC[C@H]1CC2	2260668259	FDPVINGHNBIASK-OTRWWLKZSA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC1(C[C@@]23CCC[C@H]2CC3)CCCC1	2260684734	MYAXHACNZFLTDH-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1C[C@@H]2CC[C@H]1C2	2298395967	TWUFPZNHIQVVCG-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC(=CCc1cccnc1C)CCCC(C)C	2300931924	OBGDNGQMAKRJEP-UHFFFAOYSA-N	231.383	4.705	0	10	BJAE	
CCN[C@@H](C)[C@@H](CC1CCCCCC1)C(C)C	2301138545	XBMQHGINFZQYAV-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@](O)(CC2CCCCCC2)C[C@H]1C	2301138789	ZZUSDFGQVZJACM-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@H]([C@@H](C)[C@H](C)C(C)C)C(C)(C)C	2301827612	CUDDZNAYBJYXNW-QLFBSQMISA-N	241.463	4.577	0	10	BJAE	
CCCC1([C@@H](O)C[C@@H]2CCC(C)(C)C2)CCC1	2302714569	ZJAKWZPBULPCDL-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](C[C@H]1CCC(C)(C)C1)NC	2302748727	QGBCHJFDPUUURB-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCCC[C@@H]2C[C@@H]21	2302830014	HHYPPIBRRJXWCD-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H]1CC(C)(C)[C@@H]1C	2303250008	QCMMDEFLWWAFKJ-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)c2csc(C)c2)CC1	2303523454	HUCOOJKBHRSXJX-UKRRQHHQSA-N	249.423	4.583	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC(C)=C(C)C1)C(C)C	2303580243	RXLUMFDLNUTGCE-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2CCCC[C@@]2(C)O)C1	2304432192	SHLNKAJXQMBVTQ-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@H](N)c1cc(C)ccc1C(C)C	2307506920	YAXVJJVOMMWPDF-BBRMVZONSA-N	233.399	4.554	0	10	BJAE	
CCC[C@@H](CC)C[C@](N)(CCC)C1CCCC1	2307825514	BTQIGICSRYDHBD-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@H]1CCC[C@H](C)CC1	2307891110	ABKKVWWBWITPOF-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CC(C)(C)CC[C@H]1C	2307894455	RFESZCDNTDOIQQ-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](N)[C@@H]1CCCCC12CCC2	2309678445	HEHXSPXEDJIONB-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@H](N)C[C@@]12CCC[C@@H]1C2)C1CCCCC1	2310388328	WPIXQJXOANNARN-SVGFKBNWSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@@H]1C[C@H]1C1CCCC1	2311587073	VFPXYBBAHUKHJQ-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1C[C@@H]2CC[C@H]1C2	2312899816	NXEOFULVQATUPL-RYZOMSLOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@]23CCC[C@@H]2CC3)C1	2313345473	BQYGWSVDRPHNQR-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CC(=CC=C1CC[C@@H](CCN)C1)CCCC(C)C	2316534081	BDRIIAAEYBBLIM-KRWDZBQOSA-N	249.442	4.834	0	10	BJAE	
Cc1cn(C[C@@H]2C[C@H]3CCC[C@H]2CC3)c(C)c1C	2316928344	WHIUSSAHZPOQIP-ULQDDVLXSA-N	245.410	4.630	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1C[C@@H]2CCC[C@H]21	2318586812	NCEANBMMZWDLSN-ARFHVFGLSA-N	246.394	4.662	0	10	BJAE	
C[C@]1(CC[C@H]2C[C@H]3CCC[C@H]2CC3)CCCCN1	2318822283	JRIIQQWLWHVRRK-LUKYLMHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](C=C2CCC(C)(C)C[C@@H]2CN)C1	2319109741	CXGLITMGBGLRJP-UKRRQHHQSA-N	249.442	4.524	0	10	BJAE	
CCC[C@@H](NC[C@H]1CCC(C)=C(C)C1)C1CCC1	2320232969	VRNHMVXXLILICS-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(NC[C@H]2CC[C@H]2C(C)(C)C)c(F)c1	2320318702	BDMDCHBUORJHKA-CHWSQXEVSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@H]2CCCC[C@H]2C)CC1	2320336985	JMJLDIJMANRENN-MXASKKJJSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1C[C@@H]1CC	2320399630	XXXCPCRMPPRBEN-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(CC[C@H]2CCC(C)(C)C2)=C[C@H](N)C1	2321650294	SQUTZYGOMJEKIZ-ZFWWWQNUSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C(C)C)c([C@](C)(O)[C@H](C)C(C)C)c1	2327702056	UAXZCYJRGVVFAE-RHSMWYFYSA-N	248.410	4.618	0	10	BJAE	
CC(C)c1cccc(NCC[C@@H]2CC2(C)C)c1F	2327766777	IXAYQDHXZMLWBY-GFCCVEGCSA-N	249.373	4.797	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC2CC2)C=CCCC1	2328301926	MGTDYEKBXHTYET-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(Nc2cccc(Cl)c2)CC1	21500884	WSYUDEPLNDEUFA-UHFFFAOYSA-N	237.774	4.721	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)Nc2ccc(F)cc2)c1	21818432	UNTCYDMTESBYSS-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
C[C@H]1CCCCCCCCCCCCC1=O	38846237	GHCVPKCRECQSRF-AWEZNQCLSA-N	224.388	4.886	0	10	BJAE	
CCc1ccccc1Sc1ccc(F)cc1	39150678	JGBGLVGSUKGUTN-UHFFFAOYSA-N	232.323	4.539	0	10	BJAE	
CC(C)C[C@@H](N[C@H](C)CC1CC1)c1ccccc1	70101751	GKCNBTPOAQNVKC-RHSMWYFYSA-N	245.410	4.552	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccc(C)cc1C	70977181	KAMMCJWVWQTKIV-GOEBONIOSA-N	231.383	4.684	0	10	BJAE	
Fc1ccc(C(F)(F)F)cc1C1CCCC1	75840482	JYCJIYFDYPGYOZ-UHFFFAOYSA-N	232.220	4.502	0	10	BJAE	
CC[C@H]1CCC[C@H](Sc2cccc(C=O)c2)C1	90870241	USCBSCBSXQILHB-JSGCOSHPSA-N	248.391	4.560	0	10	BJAE	
Cc1ccccc1[C@H](CNC(C)(C)C)CC(C)C	93106331	KTSMJODBFUOBRW-HNNXBMFYSA-N	247.426	4.513	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(C(F)(F)F)cc1	110385215	ZZKMGDWLCNRUHU-NSHDSACASA-N	245.288	4.696	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccc(Cl)c(C)c1	124248150	BSWPYTWPYHIQQW-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
Cc1cc(C)c(NCCC2CCCCC2)c(C)c1	125072218	PCTUPYBGQBHGBS-UHFFFAOYSA-N	245.410	4.994	0	10	BJAE	
CCCC(CCC)C(=O)c1sccc1Cl	132906696	CRDOKYWHRMOWJU-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
Cc1ccc([C@@H](O)CC2CCCCCC2)cc1C	162130806	YUWZZAFMLURMDQ-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)(C)C)C(C)(C)C	164692541	HBGJMYUUPKELAY-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCCC)c1ccoc1	164948899	ZMBZENXCNYGKHJ-ZFWWWQNUSA-N	237.387	4.537	0	10	BJAE	
CC(C)c1ccc(F)cc1NCc1ccccc1	202432398	BJXQFXPRIZBGJM-UHFFFAOYSA-N	243.325	4.561	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@H](C)[C@@H](C)C2)cc1C	220569022	WIXBAGNIWRYZIA-NOLJZWGESA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@@H](C)C[C@@H]1C	221729336	PIVNBDSAWUCLMF-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](O)CC1CCCCC1	226914355	SHWPUDCXXLFCCB-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1ccccc1Cl	228673965	PVMSFDBDEADEIL-CQSZACIVSA-N	239.790	4.556	0	10	BJAE	
CC(C)CCC[C@H](N)c1ccccc1C(C)(C)C	229183144	LMRSFKFILOVRGA-INIZCTEOSA-N	247.426	4.810	0	10	BJAE	
CCC(CC)CC(=O)c1ccc(C(C)(C)C)cc1	229445736	ARCAYLONDUYDDI-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CCCc1ccc(-c2ccc(N)c(Cl)c2)cc1	232153736	UHPRJQSRDKTZNF-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
CCC[C@@H](C)C1(CO)CCC(C(C)(C)C)CC1	233273608	PFHVZPPUSWTOAX-VQCLRJIVSA-N	240.431	4.638	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CC(C)(C)C[C@H]2C)c1	235235541	LQGXCXYPGNODSB-HIFRSBDPSA-N	231.383	4.540	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C(C)(C)C)C[C@H]1CCC	251184816	SDXBKZUVEFLNCS-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCSCc1csc2ccc(Cl)cc12	258095156	RRKZJADHKWKBEJ-UHFFFAOYSA-N	242.796	4.808	0	10	BJAE	
CC(=O)Cc1ccc(C2CCC(C)(C)CC2)cc1	258417046	VYUXTDCPBIDIIN-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC(C)n1c([C@@H](C)C#N)cc2cccc(Cl)c21	260404415	QRKMXOHFDIVNHN-JTQLQIEISA-N	246.741	4.503	0	10	BJAE	
C[C@H]1CCC[C@@H](C)CC[C@H]2[C@@H]1CC2(C)C	263589844	SITKOPDZOGHVLY-RQJABVFESA-N	208.389	4.885	0	10	BJAE	in-vitro
CCCN[C@H](C[C@@H](C)CC(C)C)[C@@H](C)CCC	302415448	TUMVIXMABQYPNG-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCCCCc1ccc(N[C@H]2CC[C@H]3C[C@H]32)cc1	302663016	JOKZHXHGICRTPO-UAGQMJEPSA-N	243.394	4.630	0	10	BJAE	
Cc1cc(S[C@H]2C=CCCCCC2)ccc1N	310065206	YVTAAPAYBSUQIS-ZDUSSCGKSA-N	247.407	4.558	0	10	BJAE	
Cc1cccc(F)c1N[C@@H](C)CCC(C)(C)C	310290272	IQVDQAFUNRNLCN-LBPRGKRZSA-N	237.362	4.761	0	10	BJAE	
CCc1ccc([C@@](C)(O)C[C@H](C)CC(C)C)cc1	310581266	UOOHNTSPDMRPKK-PBHICJAKSA-N	248.410	4.529	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H]1NCC12CCCCCC2	311048919	HYEYCCULYWTMSP-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H]1CCCC12CCCCC2	313028941	YQCXPPVPQWWEIQ-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC1(C)C)C1CCCC1	313417027	MQKYKTAOPINGHM-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCNC[C@@]1(C(CC)CC)CCC[C@H](CC)C1	317537890	AQBGXKJQTVULJU-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)C[C@@H](C)CC(C)(C)C	320239996	WLSMQKOLIAPQGV-AGIUHOORSA-N	226.404	4.700	0	10	BJAE	
CCC[C@@H](Nc1cccc(CC)c1)C1CCC1	322552635	QCVGJUDTFZPPJD-MRXNPFEDSA-N	231.383	4.630	0	10	BJAE	
Cc1ccccc1[C@H](N)C[C@@H](C)C1CCCCC1	381010820	LTJPXDGWQBWWCI-RHSMWYFYSA-N	245.410	4.601	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H](C)c1ccccc1	383473016	CVAUFPYVMBQUCE-WBVHZDCISA-N	248.410	4.758	0	10	BJAE	
CC(C)CCCCCC[C@@H](O)C1CCCC1	394717926	AJRGCEGMFNQXHN-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCOc1cc2cc(C)sc2cc1C(F)F	396233704	CDTADVMZKXMFGU-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1ccc(S)c2sc(C(F)F)cc12	396244993	OXSRVXHZIAOIEW-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CC(C)CNC[C@]1(CC2=CCCC2)CC[C@H](C)C1	401084574	QJZAAAWZSLAICB-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)c1ccc(C)c(C)c1	401538992	ZPFFJTBDTNLTGD-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1ccc(C)c(F)c1	401830273	MELJKXOXVFPCTK-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@H]1CC=CCC1	402116355	AIKHDVFJCREKCD-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CC2	402208994	IPDOQWKEXIPBTN-VGWMRTNUSA-N	248.410	4.620	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H]1C[C@H]2C=C[C@H]1CC2	402321771	NAMMPFROANTHID-DIECFANBSA-N	249.442	4.523	0	10	BJAE	
CC(C)(CCn1ccc2c(F)cccc21)C1CC1	405988251	UBWULWWMHJQMQJ-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
CCSc1cccc(N[C@@H](C)[C@H]2CC2(C)C)c1	689684223	GFEBFBGBDYBLGE-SMDDNHRTSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H](C1CCC1)C1CC1	691041694	UBPJVGOVMCSDNR-XYPHTWIQSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCC[C@@H]1C1CC1	695813847	ZBBGZADLIVBKTM-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@H]2C2CC2)c(F)c1	696102266	CMTAFWPAALEVAX-ZFWWWQNUSA-N	247.357	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1cccc2ccsc12	697805868	COYWDXXFKZIBSE-CQSZACIVSA-N	245.391	4.648	0	10	BJAE	
CCC1CCC([C@@H](NC)C(C)(CC)CC)CC1	701131840	CMEWKSCWDRKOPT-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1cccc(C(C)C)c1	701539694	WZSJWWKVINNZNJ-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCCCC[C@H]1C(C)C	704461823	UTFLVBGYWLXYLF-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(N)C1CCCCCC1	704473012	NCXGFKGQUNTCAG-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)[C@H](C)CC(C)(C)C)C1	704609954	HFAIURXCQSIOPC-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@]1(N)CC1CCC(C)(C)CC1	704892778	VTMPZNBUQIDIEL-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCC12CCCC2)C1CCCCC1	705022487	BWZWPTHDMLQPDG-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC1CCCCC1	707609522	VSZMIXYXKKOMCJ-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CNC(C)C)C[C@H](C)CC(C)(C)C	709128565	SBAIOBPIMRUJDJ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc([C@](C)(N)C[C@H](C)CC(C)(C)C)c1	709147200	SDCMZQNPGDRJIY-RHSMWYFYSA-N	247.426	4.631	0	10	BJAE	
CCCCCNCC1CC(C)(C)CC(C)(C)C1	711088424	QKOHBHCGZOTYMI-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC1(N)CCCCCCC1)C(C)(C)C	711116067	DCOISHGGQOOKCA-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(C)c([C@](C)(N)CC(C)(C)C(C)C)c1	713161103	UNVNREFTAOUMNE-QGZVFWFLSA-N	247.426	4.550	0	10	BJAE	
CCN[C@H](CC(C)(C)C)C1CCCCCCC1	713264233	NCOGWDUVAUYMEG-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C=C/C=C/CCC1(CN)CCC(C(C)(C)C)CC1	713677024	FXJHYYDXABDLQB-VOTSOKGWSA-N	249.442	4.690	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC[C@H]1C[C@H]1C1CC1	714897653	TWSXSIXEJKLDLM-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(NCCC(C)=C(C)C)ccc1F	718503939	BSUWJAAKLDVCKJ-UHFFFAOYSA-N	235.346	4.546	0	10	BJAE	
CCCOc1ccc(NCCC(C)=C(C)C)cc1	718562341	ONAFKRWLNVYBPS-UHFFFAOYSA-N	247.382	4.634	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CCCCCC1(C)C	719224575	UPZRGJBVRACZGL-GJZGRUSLSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)C(C)(CC)CC	721737142	QQCPWKJRABOOFG-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H](C2CCCC2)C2CC2)C1	723958743	CEZORUQJCOVKNZ-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@@]23CCCC[C@@H]2C3)CC1	822062072	AMMCBIRWRPHIJB-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(O)cc(-c2cccc3sccc23)c1	1206240944	KCSJVBGJCHJCJE-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CC[C@@H](C)[C@@H](C)SCc1cc(C)cc(C)c1	1472999789	DTCVNCXIHPUBMR-ZIAGYGMSSA-N	236.424	4.971	0	10	BJAE	
CC(C)CCCN(CCC(C)C)C1CCCC1	1615309269	VNQXLDLPRYNFLV-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CC[C@@H](N[C@@H]2CCCCC23CCCCC3)C1	1875414350	LPUNBGLVICPPKO-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
C=C=CCCc1cc(Cl)c(C(F)F)s1	1892928879	FWMURGGMTFKUGM-UHFFFAOYSA-N	234.698	4.613	0	10	BJAE	
CCC(CC)CC[C@H](NC)c1cscc1C	1900696395	JKNZQLFLLLXPBG-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CCC(=Cc1ccc(C(C)C)cc1)CNC(C)C	1905427703	PQVYJTCITXTVHZ-UHFFFAOYSA-N	245.410	4.601	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@H](CC)CC[C@H]1CNCC	1911933965	MKVBPKFAVYGRJP-ZACQAIPSSA-N	249.442	4.561	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)C1CCCCCC1	1919948800	PPXMVTQHRXWMOA-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)c1ccccc1C(C)C	1920200229	YLHNKKXWIKYUES-YOEHRIQHSA-N	247.426	4.810	0	10	BJAE	
CC(C)c1cccc(NCC[C@H]2CC2(C)C)c1	1921544787	CNKPXGPESXRBKY-AWEZNQCLSA-N	231.383	4.658	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@H]1CCCC12CCC2	1921616835	CJMDIVRAPLHIGD-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H](C)C1CCCCC1	1924137282	YVZYNEKXGZIUDC-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C[C@H]1C[C@H]2CC[C@H]1C2	1925806340	DXWPAGMDAJUJQI-YHUYYLMFSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC[C@@H]2C=CCCCC2)C1	1925819075	HHAQLQSNRPCZFP-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
C1=C[C@@H](C[C@H]2CCOC3(CCCC3)C2)CCCC1	1925842416	ASIFALWEAWYWQF-HZPDHXFCSA-N	248.410	4.862	0	10	BJAE	
CCC(CC)C[C@@H](O)CCCCCC(C)C	1926391985	AQRYSTLVPGUEGZ-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CCC1CC(Nc2cc(Cl)cc(Cl)c2)C1	1932140120	WBRSKBMEZJQGBU-UHFFFAOYSA-N	244.165	4.594	0	10	BJAE	
CCCC[C@H](NCC)c1cc(Cl)sc1C	1933587512	KYOSKRQMJOCNFG-NSHDSACASA-N	245.819	4.551	0	10	BJAE	
C[C@H](CC(=O)CCC1(C)CC1)CC(C)(C)C	1935881963	IQUIEHRPVDGWOW-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CCCC1CCCCC1)NC	1939118903	SSBQUWKQTBYLME-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC1(C[C@H](N)C(C)(C)C(C)(C)C)CCCCC1	1940414808	LHFSCONPFDPZGJ-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@](O)(CCC[C@H]2CC2(C)C)C1	1940872490	MTBUBWVZKZEPHH-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CCC[C@@H]1CC1(C)C	1940876954	OCZJNAIUAVTIDJ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@@H](CCC)C(C)C	1941262460	FHAFGGNYHRSWML-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(C2CC2)cc1	1941571693	VIBIKGMIFNRVTL-INIZCTEOSA-N	231.383	4.534	0	10	BJAE	
CC[C@@H]1CC[C@H](O)[C@@H](CCCCCC2CC2)C1	1941580533	AZCCPLQTLONRJT-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@]1(O)CC(C)(C)CC2(CC2)C1	1943082842	YCKWPCUGAVYBEE-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](O)CCCC1CC1	1944623455	RJOSLOCTSGDQRO-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CCC[C@H]1C)C(C)(C)C	1944843010	OSHVYFZTQVJIQS-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC(C)(C)C(C)(C)C	1947465209	UOKBYCGDUGJJMD-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H]1CCC[C@H]1CCC	1947467900	MLUDMKYXXVOQBT-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCCCCNC1C[C@@H]2CCCCC[C@H]2C1	1947855092	FJKIGWQKYWBPIU-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CCC(F)(F)CC)C1	1948001285	POLCNIKDEVQWCW-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC(C)c1csc2nc3c(n12)[C@H](C)CC[C@@H]3C	1948482556	PCXGFWFURWAZOI-VHSXEESVSA-N	248.395	4.520	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CC[C@H](C)C3)c12	1949497757	KZHXWXVNYKAXPZ-SWLSCSKDSA-N	227.351	4.565	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCC(C)(C)[C@@H](NC)C1	1949654702	WHVRLUZSKVTZPE-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
O[C@H](CCCC1CCCC1)CC1CCCCC1	1949926246	KAPFNHVUHZOEOH-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)C[C@H](C)CNCc1ccccc1C(C)C	1962900520	KLBBNLMUVJTMKV-HNNXBMFYSA-N	247.426	4.582	0	10	BJAE	
CCC1(CN[C@H]2C[C@@H]3CCCCC[C@@H]3C2)CCC1	1965897162	ZXVLFIXIXINJTP-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CC1(CNC2C[C@H]3CCCC[C@@H]3C2)CCCCC1	1965927612	NVJKPQAMRZLUOB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)NC[C@@H]1CCCCC12CCC2	1967865711	XIZJDMBHZNOOMH-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CSc1cccc(NC2CC(C(C)(C)C)C2)c1	1968261815	AWVHYTKGSJNGPN-UHFFFAOYSA-N	249.423	4.645	0	10	BJAE	
Cc1cc(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)ccc1F	1968592219	UDSMPPQHIRTIPI-IMRBUKKESA-N	249.373	4.618	0	10	BJAE	
CC1CCC(N(C)C[C@@H](C)CC(C)(C)C)CC1	1968748154	QSPUFVFNNNACOU-SLTAFYQDSA-N	239.447	4.569	0	10	BJAE	
CC(C)c1ccc(CN(C)[C@@H](C)C(C)(C)C)cc1	1969039512	AWZGZKKKWMUAFC-AWEZNQCLSA-N	247.426	4.676	0	10	BJAE	
CC1(C)C[C@@H]1c1nc(C2CCCCC2)cs1	1972625026	CXPPLMCWJNPQTG-LLVKDONJSA-N	235.396	4.704	0	10	BJAE	
CC[C@H](N[C@H]1CCCCC12CC2)c1cccs1	1972725851	SAOCOMHCMOWWMC-JSGCOSHPSA-N	249.423	4.512	0	10	BJAE	
CCCC(C)(C)[C@@H](CC(CC)CC)NCC	1976011786	ZJJCDDCXEMTNAU-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
C/C=C/CCCC(=O)c1cc(C)ccc1Cl	1984574745	DNCBUQDHDSUJKL-ONEGZZNKSA-N	236.742	4.578	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCC1(C)CC1	1984626393	SZXYNCXCLTYKKO-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC(O)(CC)CC[C@@H]1CCCC(C)(C)C1	1994035080	WCCFHOWGGZBGHM-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC[C@H](C)CCCC)NCC	1995261171	BLTHJIGLIFOJMG-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CC(C)c1coc2c(C(C)(C)C)cccc12	1995465548	LHLVVIXLLFAMMQ-UHFFFAOYSA-N	216.324	4.854	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C1(C)CCCCC1)C1CC1	1995985074	GFEURFMXQUNYCS-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C1CCC(C)(C)CC1	1996595413	VRWIMHNQKOJSOC-BBRMVZONSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)[C@@H](CC1(C)CCCC1)NCC	1996615129	GWIHNQVGTSISHU-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H](C)CC(C)C)CC1	1997099833	IUSHQICOULBMKP-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCC1(CO)CC(C(C)(C)C)C1	1998255629	LZRZMKQKPSIZHN-UHFFFAOYSA-N	240.431	4.638	0	10	BJAE	
CC1(C)CC([C@](C)(N)CC2(C)CCCCC2)C1	1998652958	YDULFZOWGZFUJL-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@H](N)CCC[C@@H]1CCC=CCCC1	1999994918	ZQHYVFNWHBMBHR-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@@H](NCC)C1(CCC)CCC1	2000376072	JQPOOGMVRJUAND-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(O)C2CCCCCC2)C1	2002999265	RSXAPYTVYYYMOW-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(O)[C@H]1CCC[C@@H](C)C1	2003005696	KJKQOIJUWWHPRZ-YCPHGPKFSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)[C@@H]1CCC[C@H](C)C1	2003007123	PCSPDJRQBRWAJK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1[C@H](C)CC[C@H]1NC1CCCCCCCC1	2003098894	IMMACNMUANGAQU-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1CCCCC(F)(F)C1	2003175157	JFMUZCYQBOPJFQ-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)C[C@H](O)C[C@H]1CCCC2(CC2)C1	2003192541	FHNLLQRWUUNOBN-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@@]2(C)C=CCCC2)C1	2003327774	YMAXDDKCQXXMEG-FMKPAKJESA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@@H](C)CCC)[C@H]1C	2006978443	JCGBAXFMBGDEJG-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)CC(C)(C)CC	2007948369	UGYCBPGOPIWSNW-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C/C=C/C[C@@]1(CNC(C)(C)C)CCCC[C@H]1C	2008071276	GRPNGGQMVBKEHF-LREFGLRZSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H](C)C1CCCCC1	2009616440	JDHVWRRPCPRVFG-SBAHZNLJSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C1(C)CCCC1	2009620956	ZLZNJFOHRZVUEZ-CSPWOOARSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@@H](C[C@@H](CC)C(C)(C)C)NC	2009635128	LJSTYGDENKSKAX-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)C1=CC[C@H](C)CC1	2010614987	YFLHHMGDVBZYCI-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)C(C)(C)C(C)(C)C)CC1	2010762807	JRTJWWVTZWYANF-OCCSQVGLSA-N	237.431	4.523	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(O)CCCCCC12CC2	2011286864	FOKOYZXVXGQYMH-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC[C@H]2C[C@@H]2C)C1	2011569503	GVHPNSUDHCJPDK-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCCC(N)(CCC)CC1C[C@H]2CCC[C@@H]2C1	2011986321	MPDGQRRPAWNICU-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC=CCCCNc1ccc(C(C)(F)F)cc1	2012747761	DHFHYLWGFRMEDK-UHFFFAOYSA-N	239.309	4.567	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CCCC12CCC2	2013266563	IAOVNLQJXCCRPT-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CCC(C)C)NC1CC(CC)(CC)C1	2013274147	MSBMRVVRMREHRW-AWEZNQCLSA-N	239.447	4.760	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@H]1C=CCCCC1	2013274858	UWQIMUTUQZAEAA-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(CCC(=O)C(F)(F)C(C)C)C(C)C	2015392756	UKBSIVFEWDHGOI-UHFFFAOYSA-N	248.357	4.555	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CCC(C)(C)C1CC1	2016116993	JMFYYGGSAFAIIY-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CC(F)(F)CCC(=O)CC1(C(C)(C)C)CCC1	2017125586	PGUCYOKUGSMEKQ-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC1CCC(C[C@H](N)CC(C)(C)CC)CC1	2017723282	SYHIOUFLNFNXRH-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)C[C@H]1CC[C@H](C)CC1	2017729468	XATLLRKHMGRDJH-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C=C[C@H]1CC[C@H](CCC)CC1)CN	2017731793	VSLUOEDSMRIZBJ-JYJNAYRXSA-N	237.431	4.524	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CC1CCC(CC)CC1	2017776070	KNERYKQOECGQCI-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)C(C)(C)C(F)F	2017793335	IJHBXZGROGNZEI-SMDDNHRTSA-N	249.389	4.602	0	10	BJAE	
CCCCC[C@](O)(CC)C1CCC(CC)CC1	2018131561	PAQAALULGFWQRT-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H](CC)C(C)(F)F	2018137612	XNLRDPUQQBILOU-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@@]23CCCC[C@H]2C3)s1	2018634416	QNQZFVQEIGNNPS-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)CC2(CC)CC2)CC1	2018965122	OFTNKCYWIZFPNA-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
C[C@H](c1cccs1)N(C)[C@@H]1C=CCCCCC1	2019124996	WDLOBCXGKDERBV-ZIAGYGMSSA-N	249.423	4.630	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)C1(C)CCCCC1	2019199543	LFVYQWZBFQCBRR-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H](C)C1CCCC1	2019344571	OVGVEHZPBAPUEU-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
C[C@@H](CC1(O)CCCCCCCCC1)C1CC1	2019691408	UKNHALXKWCAWHU-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCCN(C1CCC1)[C@@H]1CCCC[C@@H]1CC	2020635391	LTMCJBHBYXFOOS-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H](Nc1ccccc1C1CC1)C1CC1	2021025724	AEUQNSLCMPSARX-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@H]1C[C@H]1C(C)(C)C	2022453780	IXILXMNUXSNLCX-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CCC(N)(CC)C[C@H]1C[C@H]1C1CCCCCC1	2022495390	IUFAFURKQFZDKO-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C=C1CCC1)C[C@H](C)CC(C)(C)C	2022684208	SWPZCAFBDIBKIQ-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@](C)(CC)CCCCC(C)(F)F	2023287333	HKDUGXPLJCHRNU-CYBMUJFWSA-N	249.389	4.618	0	10	BJAE	
CCC(C)(CC)C(=O)c1cc(C)cc(C)c1C	2024073719	QWPXPAQGDKKYIK-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1CCCC(C)(C)C1	2024101458	KVJYNFPCRPMWMX-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
C[C@H](C[C@H]1CC(C)(C)CCC1=O)CC(C)(C)C	2024124993	RLAMBBCMYDBGSO-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC(C)(C)C(F)F	2026172251	XYBZBHPWHREFRI-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
CC[C@H](C)Cc1csc(-c2cccc(F)c2)n1	2026531149	KLFJMUCECSLJGX-JTQLQIEISA-N	249.354	4.538	0	10	BJAE	
C[C@@H]1CC=CC[C@@]1(CNC(C)(C)C)C1CCCC1	2027924622	WOLVPNFZAQDCFW-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](NC)c1cc(C)c(C)cc1C	2028265355	RQUAFDVYVBCTTP-DOTOQJQBSA-N	247.426	4.555	0	10	BJAE	
CC(C)Cc1ccccc1[C@H](O)[C@H](C)CC(C)C	2028919019	PDYZWIJICARJAJ-RHSMWYFYSA-N	248.410	4.601	0	10	BJAE	
CC1(C)CC(C)(CN[C@@H]2CCC23CCCCC3)C1	2029206640	SVJAKNGVLJASRO-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
N[C@H](C1=CCCCCC1)[C@@]12CCCC[C@@H]1CCC2	2031761526	UVHSHKZXDHOUEE-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cccc(C2CC2)n1	2031834233	AYKCKCKEDWPRRS-CYBMUJFWSA-N	246.398	4.730	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)C(C)(C)C(C)C)cc1	2032347656	ZGAIHQLEHZXLLP-CJNGLKHVSA-N	247.426	4.882	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNc1ccccc1C1(C)CC1	2032510996	SLXQABURFUFPMM-KGLIPLIRSA-N	243.394	4.586	0	10	BJAE	
CC1(C)C2CCC1(C(=O)C[C@H]1CC=CCC1)CC2	2033438078	VJWAKEJHEOLLNI-CBCUQQMYSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC1(N)CC(C2CCCCC2)C1	2033782764	NVFOZUNSEFPOKA-XNGJBWTFSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@H]1C=CCCC1	2035570335	ZCZHISMQYCERJH-AWEZNQCLSA-N	242.362	4.739	0	10	BJAE	
CC[C@H](N[C@H](C)[C@@H](C)CC(C)C)c1ccccc1	2036383964	QEGMRLABDSZBFQ-UXLLHSPISA-N	247.426	4.798	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1C1C(C)(C)C1(C)C	2037220821	MYZPYCVETAVVDI-BXUZGUMPSA-N	243.394	4.514	0	10	BJAE	
CC[C@H](N[C@H]1CC12CCC2)C1CCC(C)(C)CC1	2040683951	OKHINYHHCMZMCS-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)[C@@H]1C=CCCC1	2043190121	GXPUBALNOHDSRA-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCC1([C@H](C[C@@H]2CCC=CCCC2)NC)CCC1	2045319775	HDBVLZSQBYFKOP-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)[C@@H]2CCCC(C)(C)C2)c1	2045366566	MMQURWYXRQSCEW-ZBFHGGJFSA-N	246.394	4.553	0	10	BJAE	
CCc1cccc(C(=O)[C@@H]2CCCC[C@@H]2CC)c1	2045563008	CVFRJUUPWDVYOH-GOEBONIOSA-N	244.378	4.648	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)C1(C)CCCCCC1	2045799139	IVRPNAQIOWGKDN-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@@H]1CC12CCCC2	2047021733	YSVHKYIFLAQLCD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CC23CCCC3)CC1	2047060370	XFJIYMFVCVQHHO-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048439655	NUDCUOCMUGNETA-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC1[C@H]2CCCCC[C@H]12	2048472012	TYTJYYDTBWYBMD-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC([C@@H]2C[C@H](C)c3ccccc3N2)C1	2048633973	MNDMBWJDKQFXBJ-VWLISTAJSA-N	243.394	4.657	0	10	BJAE	
CC(C)C1CCC([C@@](C)(N)C[C@H]2C=CCC2)CC1	2049415648	RKYDLKZLOCCKTN-OTBWCIGPSA-N	249.442	4.523	0	10	BJAE	
CC[C@@](C)(CNC1CC1)C[C@H]1CCCC2(CC2)C1	2049848146	HISPQRFXMCKNKF-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@]1(C[C@@H]2CCCC3(CC3)C2)CCCN1	2049851956	AXGQXTRNFANJIR-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](Oc2cccc3c2CCC3)C1	2050413249	HWVUKNGQDIVCIF-HIFRSBDPSA-N	244.378	4.523	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1	2050462421	CBUQNNSFLJHXGT-RBSFLKMASA-N	244.378	4.640	0	10	BJAE	
CC1(C)CC(C[C@]2(CN)CCCCC23CCC3)C1	2053407297	MYBAIQWEONXVNC-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
N[C@]1([C@@H]2C=CCCCCC2)CCCCC12CCC2	2053416084	OLJHNNGIWBWBML-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
Cc1ccc([C@H](N)C2(C)CCC(C)(C)CC2)cc1	2056556861	NHRYIFVDPRXHLJ-HNNXBMFYSA-N	245.410	4.601	0	10	BJAE	
C[C@@H](CC1CC(C2CCC2)C1)c1cccc(N)c1	2056647285	ZVIRSBYDJDNFCG-FUJMWEONSA-N	243.394	4.589	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC1CC(C2CC2)C1	2056671551	MQQJJQZKUMHWHJ-UNRBTCAZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C=C2CCCCC2)CC1	2056869931	GIKVVQDAZIAVKE-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H]1CC[C@H](CC)CC1	2056876010	MJQGWOYGLSVQDY-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)CC(NC[C@@H]2CC(C)=C[C@H](C)C2)C1	2058865273	KPNCBWHCDMCFSJ-ZFWWWQNUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@@H]1CCCC12CCC2	2059178190	QAHGPUMRVDHFKM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC([C@@H](NCC)C2=CC[C@H](C)CC2)C1	2060926222	PQSRONWGCUJXSR-DXCHVLGVSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@@H](NCC)C2=CCC(C)(C)CC2)CC1	2061095185	LIYGSXZVRXTOSA-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCCCC23CCC3)CC1	2061123137	VHBVUMVGOAQTGW-PBHICJAKSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H](CC[C@H]1CC1(C)C)C1=CCC(C)(C)CC1	2061139700	HZJQYKIHFVDPIF-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)CC1CC(=C2CC2)C1	2061741050	GPPCXXYFHBBBDI-ZDUSSCGKSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCCC[C@@H]1C[C@H]1C)c1ccco1	2062642217	OHSLBFZKZCHSGI-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CCCC1(C(=O)C2CC3(C2)CC(C)(C)C3)CCC1	2063812203	LIEMMHVYKISJRF-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)CCC(C)(C)C)n1	2066359850	TWTDIHWDLSDQOO-ZDUSSCGKSA-N	248.414	4.832	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@@H]3CC[C@@H]3C2)C1	2068711357	SHIZQZOJMCJMEA-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc([C@@H](O)CC(C(C)C)C(C)C)c1C	2068844714	QAMBBBJXHTWADH-KRWDZBQOSA-N	248.410	4.655	0	10	BJAE	
CC(C)C(C[C@@H]1CCc2cc(N)ccc21)C(C)C	2069016981	CRDBIRACXMKZGB-AWEZNQCLSA-N	245.410	4.617	0	10	BJAE	
CCCCC1CC(NCC2(CC3CC3)CCC2)C1	2069508075	ZQESPGLMCYLHFI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C[C@@]1(CNC(C)(C)C)CC=CCC1	2070972590	UMVXQSCLPPGXAX-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@@H]2C2CCC2)CCC1	2071794480	NNSBLFKCAOOVLH-IAGOWNOFSA-N	249.442	4.658	0	10	BJAE	
CN[C@H](CC1(C(C)C)CCC1)[C@]1(C)CC=CCC1	2071942567	FSYNNRDRUCUIEK-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(CN)CCCCC23CC3)CC1	2072801007	JTQISJHMAFXDIY-ZOBUZTSGSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)[C@H]2CCCC3(CC3)C2)C1	2073774786	GPFKFHZKISITMV-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@]12CCCC[C@H]1C2	2074024683	JQBVFWCIJUPOLZ-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@]23CCCC[C@@H]2C3)CC1	2074094697	NDHGPFDODYZGOD-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(N2CC=CCC23CCCC3)CC1	2074858849	FMHYXFHFHAHPGN-UHFFFAOYSA-N	247.426	4.530	0	10	BJAE	
C[C@H]1CCC(C)(C)CN1[C@H]1CCC12CCCCC2	2075013750	XBZPLBJHPUGMOQ-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CN(CCC1=CCCCC1)[C@H]1CCC12CCCC2	2075152659	WUSGBGFRPXSXFO-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1NC1CC2(CCCCCC2)C1	2079538074	SFRYAEHCGFDSCF-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1COc1cccc2ccccc12	2079816644	ZIGZXIQWKSYXQN-GDBMZVCRSA-N	240.346	4.511	0	10	BJAE	
N[C@@H](C1CCCCC1)[C@@H]1C[C@H]1C1CCCCCC1	2079838372	ILCHHNBOBRXIBN-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1C(=O)C[C@H]1C[C@@H]1C1CCCCCC1	2079851274	KHMQOHHXCJCFSC-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@H]1C1CCCC1)C1CCCC1	2079886939	RVAXHSVYUPWCIE-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@@H](C)C(CC)CC	2081208787	IWBGFMUDNWYZCP-KBPBESRZSA-N	247.426	4.724	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@H]1CC(C)(C)C1(C)C	2084429773	OFJFFEZNYFQAEJ-ZFWWWQNUSA-N	245.410	4.504	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@H](N)CCCCCCC1CC1	2213576661	SNNMKDYMCSEXBV-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)c1scc(C)c1C	2213674202	CATJVIAFRCLAEU-ZWNOBZJWSA-N	248.391	4.540	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)CCCCC1CC1	2214566564	XWYXZZYVVWZBKU-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CC(C)(C)CC)C1CCC1	2217153181	KFJGAFLJBJRIGK-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(C/C=C/c1ccccc1)CNC	2219096271	UKISUGPPUROXKB-KQPPXVQYSA-N	245.410	4.506	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H]1C[C@H](C)c2ccccc2N1	2220901249	HPMZJDAGUGBFSM-XGUBFFRZSA-N	243.394	4.801	0	10	BJAE	
CCCCC1CC(N)(CC2(C)CC3(CCC3)C2)C1	2221017527	VEFBRUSAYYKSEW-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(NCC2(C)CC3(CCC3)C2)c1C	2221026004	RCOFPPOGBSLXEA-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C2C[C@@H](C)C[C@H](C)C2)CC1	2221642862	JYCJITPSNBOHSB-ZQIUZPCESA-N	248.410	4.764	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CCC[C@H]2C)CC=CCC1	2223550842	NYPMVXNTHQJZAU-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1cccc2ccoc12	2224175512	CBZCLGDGDKYDRD-IUODEOHRSA-N	246.350	4.683	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)CC1(C)CC(C)C1	2246591689	TUJXZFUGPJOFFQ-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
CCCCC(=O)CCC[C@H]1CCCCC12CC2	2246626929	NLCSOQXTUYWSGD-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
CC(C)(C)[C@@H](O)CCC[C@@H]1CCCCC12CC2	2246627655	SJQMGJDCLRLHQK-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C1=C(Cc2ccc(CC3CC3)cc2)CCCC1	2247510079	QAZUEHMZBCVVPR-UHFFFAOYSA-N	226.363	4.682	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CC[C@H]1CCCC12CC2	2247608103	HAYZQLBSNRLALF-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cc2ccccc2s1	2250358978	BREXMZOVSLGRRW-ABAIWWIYSA-N	247.407	4.727	0	10	BJAE	
CN[C@H](CC[C@H](C)CCCC(C)C)CC(C)C	2250488021	IDUYBVDWOKJMPG-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@]1(C)CCC(=O)C1	2250520983	XQWNQSNXUHJVLU-ZBFHGGJFSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)CC1CC(CC2(O)CCCCC2)C1	2251581750	FYZVLOHXSWUSHP-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2CCC(C)(C)C2=O)C1	2251712743	OMFJFJSWGCRQMY-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(C[C@H]2C[C@H](C)Nc3ccccc32)C1	2253753114	OTMOZQKHELXLAE-YRTQGLMCSA-N	243.394	4.801	0	10	BJAE	
CN[C@@H](CC1(C)CC(C)C1)[C@]1(C)CC=C(C)CC1	2253769889	FQXQNFSJESIATI-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1NCC[C@@H]1CCCCC12CC2	2253889714	GOSJDRZFZFCXOB-HNNXBMFYSA-N	243.394	4.767	0	10	BJAE	
C[C@H]1CCC[C@H](CCn2ccc3ccccc32)C1	2253964884	LRKURGRKTGSTRS-LSDHHAIUSA-N	241.378	4.858	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(CC2CC3(CCCC3)C2)C1	2254105742	HAKSEEQTRZVBFG-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](C[C@@H]2CCC23CCC3)NC)CCCC1	2255026406	IJFLXYFYOQEDKL-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](CC2=CCCCC2)C1	2255140353	LCIBSGJYKFGZRQ-HYVNUMGLSA-N	249.442	4.668	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H]1CCCC12CC2)NCC	2255228504	STYXVPAORGGWMD-BYQDXSGLSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC[C@@H]1CCCC12CC2)C[C@H]1CCCCN1	2255257815	GOEGCAPYGDPCRB-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H](C)C1(C)CCCCC1)[C@@H]1CC12CCC2	2256427212	RZWGLXLVZBWXOX-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)CC1=CCCCC1	2257254503	YJIWLRQKIQPTHN-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
CC1CC(CCC(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2261512699	JMVNDHBRDZTSMC-WQZDSJPGSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H]1CC(C)(C)C[C@H]1CCC(CC)CC	2300685195	BZZPVURCWXBOIG-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@]1(CN)CCC[C@H](CC)C1	2300700689	NPOAYZDDTWBCLA-JKSUJKDBSA-N	239.447	4.748	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCC(C)(C)C[C@@H]1C	2300702283	WUWVXUMJNJCXBW-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CC[C@@]1(C)C[C@H]1NCC=C(C)CCCC(C)C	2300860515	IIENCHJOQAGRTA-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](N)(CC=C(C)CCCC(C)C)C(C)C	2300888898	NOTROZXBLZHMHW-MRXNPFEDSA-N	239.447	4.913	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1CC=C(C)CC	2300901514	JZJFBEGJVCWULH-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CC(C)([C@@H](O)CC2CCCCCC2)C1	2301133612	NTAJSWNDFLETEF-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)[C@H](C)[C@@H](C)C(C)C	2301826992	XODDTZURCKWTPE-SQWLQELKSA-N	241.463	4.560	0	10	BJAE	
CCC(CC)CNc1cc(F)ccc1C(C)C	2301906807	CWZSAGPWHIFPIF-UHFFFAOYSA-N	237.362	4.797	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC1(C)CCCCC1	2302611446	CXLAPYNTGZZRSL-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CCC(C)(C)C2)C(=O)C1	2302762525	CYEKLVBZIPEOAF-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@]1(CNC(C)C)CCC(C)=C(C)C1	2303472184	BGKSWFDCHFJELG-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CN[C@H](CCC(C)C)C[C@H]1CCC(C)=C(C)C1	2303577012	CIJBOTWBBZTXER-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCCC(=O)[C@@H]2C)CC1	2303599899	APUMDRZUWDNVAT-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC[C@@H]1CCC(C)(C)C1	2304448556	ZMMYJAWWWITJFZ-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(CC)c1nc([C@@]23CCC[C@H]2C3)cs1	2307689142	SIRLWRPIOVVYSD-XHDPSFHLSA-N	249.423	4.662	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC[C@H](C2CC2)C1	2307844744	OJEBVDGYPQBQNQ-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C[C@@H]1CCCC12CC2	2307896035	XWOPSNIJBVGEBJ-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN[C@H](C)CC)C[C@@H]1C	2307922216	CRPAJEUAJBUQAV-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309149426	XKOUOLSUGKEBMJ-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](C[C@@H]1CC[C@@H]2C[C@H]12)NCCC	2310192312	WMNHOXMYWZAAKI-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
N[C@H]1C[C@@H]2CC[C@H]1C[C@@H]2CCCCCCC1CC1	2313003860	KGXMSUHBTWROIZ-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)CCC[C@@H]2CC[C@@H]21	2313033436	KBSYNWPCLSIMLK-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@@]12CCC[C@@H]1CC2	2313291066	PEEGMFJKDAGISX-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@@H](N)C(CC2CC2)CC2CC2)CCCC1	2313583545	IYJVDJPNLMQSFY-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@H](O)[C@H](C)CC(C)(C)C)ccc1C	2314696557	FYXJCMAHSPRYHQ-CZUORRHYSA-N	248.410	4.663	0	10	BJAE	
CCc1cc([C@@H](CC(CC)CC)NC)ccc1C	2314713262	UFFSPMPDQSPOGE-QGZVFWFLSA-N	247.426	4.644	0	10	BJAE	
CCC(CC)CCC(=O)C1C2(CCC2)C12CCC2	2316250011	GUSXYKPOAGBNBO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(=CC[C@@H]1C(=O)[C@H]2CC[C@H]1C2)CCCC(C)C	2316537398	RQQKNIRBYFITCC-JYJNAYRXSA-N	248.410	4.764	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)[C@@]12CCC[C@@H]1C2	2316874732	SNTLJQJUGHGDIJ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(C[C@H](CNC2CC2)C2CCC2)CC1	2316996608	TXPOORLFYVJQCL-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCCCCc1cc(CNC(C)C)ccc1C	2318378842	CZQSOTPMSPKOKF-UHFFFAOYSA-N	247.426	4.616	0	10	BJAE	
CC[C@H]1CC[C@@](CN)(CCCC2=CCCCC2)C1	2318582811	IDXBPZLIQMFVBL-RDJZCZTQSA-N	249.442	4.812	0	10	BJAE	
Cc1ccc(F)c(NCC[C@H]2CCC(C)(C)C2)c1	2321525979	DILXHCMJULBQFO-CYBMUJFWSA-N	249.373	4.762	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccc(F)nc2C)c1	2327788212	CRFUIPPKOKERBI-UHFFFAOYSA-N	243.325	4.628	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1cc(C)ccc1C(C)C	2327789548	KROZBHSTLGZXSC-UKRRQHHQSA-N	244.378	4.737	0	10	BJAE	
CCCCCCc1ccc([C@H](O)C(C)(C)C)cc1	2327897943	DUSIYUVUWHQFCH-INIZCTEOSA-N	248.410	4.889	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1ccccc1C1CC1	2328214575	YDQGDJHTOPHHJE-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
Clc1cccc2cc(C3CCCCC3)[nH]c12	1517248	MYYHPKXFEHZNGU-UHFFFAOYSA-N	233.742	4.869	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CCCC[C@H]1C	19986725	JFEYNQIWRRQKNP-MFKMUULPSA-N	237.774	4.639	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCc2ccccc21	21811594	ZOTDLYRRWCKVAT-KRWDZBQOSA-N	245.410	4.622	0	10	BJAE	
CCCCCCN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	34994808	ARZBROVXVVBURX-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](c1ccc(C)c(C)c1)C1CCCCC1	35509494	ZFDQTNCVOFWYCW-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCc1ccc([C@H](CCC(C)C)NCC)cc1	35550372	JRQGYYJIWAWKQT-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
Fc1ccccc1N[C@H]1CC[C@H]2CCCC[C@@H]2C1	37211254	QMOVQJSKHCYCHF-MCIONIFRSA-N	247.357	4.597	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](CCC)c1cccs1	49541650	SUPPKRYNSFYABP-OLZOCXBDSA-N	239.428	4.758	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)c1sccc1C	50328559	FBINFXRKUPCHCP-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@@H](C)CCCC(C)C	70978084	ZPPHJXLXHISXNP-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCCCCCC1(N)CCC(CCC)CC1	71084866	PCVTZNSQDXKACE-UHFFFAOYSA-N	225.420	4.645	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H](C)C1CCCC1	71085593	RHTOSECJENJNAM-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C2CCCCCC2)CC[C@H]1C	87946476	PXEQAFZYMHAMQP-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2cc(C)cc(C)c2)C1	87984510	WALJCDUFVVKLBZ-HUUCEWRRSA-N	244.378	4.703	0	10	BJAE	
CCC[C@@H](O)c1cc2c(C)ccc(C(C)C)c2o1	88072498	XLPNOAIOPNOYLT-CQSZACIVSA-N	246.350	4.698	0	10	BJAE	
Cc1cc([C@H](C)N[C@H]2CCCCC[C@@H]2C)c(C)o1	88510847	KQLQQNUTWVAWRK-RBOXIYTFSA-N	249.398	4.516	0	10	BJAE	
CCCN[C@H](C(C)C)[C@H](CCC)c1ccccc1	92600074	GCHWIGSFUFUMGF-IAGOWNOFSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@@H](CCC)c1ccccc1	92600076	GCHWIGSFUFUMGF-IRXDYDNUSA-N	247.426	4.595	0	10	BJAE	
C/C=C\[C@@H](C)Cc1ccc(C(C)C)cc1	107635368	BZAZFYRSKDBTDZ-CFHLNLSMSA-N	202.341	4.565	0	10	BJAE	
CC[C@H](C[C@@H]1O[C@H]1C)c1c(C)c(C)cc(C)c1C	107658086	CNKFCFFYLXCXPL-XHSDSOJGSA-N	246.394	4.591	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	109945011	VGUAGRAPIZFOJS-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C[C@H](C)C(C)(C)C)c(C)c1	111653800	IFEPDCXDNOTUTL-GJZGRUSLSA-N	248.410	4.718	0	10	BJAE	
Cc1cc(C)c(-c2ccc(O)c(Cl)c2)c(C)c1	156866601	OZVJAHJYWBGMSN-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
CC(C)CCC[C@]1(N)CCCC[C@H]1C(C)(C)C	165672142	RKVGLHAGDSWRAZ-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@](N)(C2CCCCCC2)CC1	167685074	WFSZPAUOMZJPSC-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCNC[C@@H](CC(C)C)C1CCCCCC1	167924704	JZUROHTWFLAHKH-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H]1c2ccccc2[C@H](CC(C)C)[C@H]1C	227294195	UZRNJHDHYRBASR-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@@H](CC)Cc1cccc2c1NCCC2	233000800	MKRWXYNSLYJRPW-CQSZACIVSA-N	245.410	4.804	0	10	BJAE	
N#CC1(c2ccc(C3CC3)c(Cl)c2)CCCC1	260482991	HIUOIMWNNLFJPF-UHFFFAOYSA-N	245.753	4.553	0	10	BJAE	
CCCNC[C@@](C)(CC)CCCC(C)(C)C	300793252	CSTQQRCWWYAVPS-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCNC[C@@](C)(CCC1CCCCC1)C(C)C	302236675	AHHXLICWJNVMCR-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1ccc(C(C)(C)C)cc1	302484954	ZBKXLZOIKQHTEG-XJKSGUPXSA-N	247.426	4.810	0	10	BJAE	
Cc1ccc(NC(C(C)C)C(C)C)cc1Cl	304564847	QKWCPGGLOUAXKP-UHFFFAOYSA-N	239.790	4.741	0	10	BJAE	
CCC[C@H](N[C@@H](CC)C1CCCCC1)C1CC1	306073852	XZVYWRFNNSCWLM-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
Fc1cccc2sc(C(F)F)c(Cl)c12	306561457	BVKBXLODCARJCU-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1cccc2sc(Cl)c(S)c12	307050592	LXSFCCLRMVQOCK-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H](CNCC(C)(C)C2=CCCC2)C1	308760614	XGDHXWMXPZRFLQ-CABCVRRESA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](C)CC(C)C)cc1Cl	309154353	WZVOJKRZUAILAJ-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
CCC(C)(C)c1csc([C@H]2CC[C@@H](C)C2)n1	309236495	LQQOCWRXBRVZKT-MNOVXSKESA-N	237.412	4.734	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](O)([C@@H](C)CC(C)C)C1	310177254	RSQAWVAINZJLQU-JYJNAYRXSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccc(C(=O)CC2(C)CCC2)cc1	310387238	IACIMEGGGIIACZ-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC(C1CCC1)C1CCC1	310722097	IXWATBKVNCSJHQ-CJNGLKHVSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)C1CCCCCCC1	319519298	AKJXGXQPXWOCNE-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)[C@@H](C)n1ccc2c(C)cccc21	319722063	VODXATAGIOSEEU-DGCLKSJQSA-N	215.340	4.557	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H]1CCCC12CCCC2	328029770	VCCNIOIVMPMHIE-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC(C)C)CC(C)(C)C	379605253	BDYZCHIRDQLDLI-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](C)c1ccccc1C1=CCCCC1	380664433	IQFABNGHGRZWBB-AWEZNQCLSA-N	243.394	4.705	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2(C)CCCC2)CC1	383694890	UOFODZTVUGRMRT-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@H]2CC23CCCC3)C1	386883584	IWGVBHLGCPAWPU-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](NCC(CC)(CC)CC)c1ccco1	391170523	YVAFEMFGDHJYPE-CYBMUJFWSA-N	237.387	4.537	0	10	BJAE	
CC[C@@H](C)CCN[C@H](c1ccccc1)C(C)(C)C	394455946	JOEXBULZFCLWQL-GDBMZVCRSA-N	247.426	4.800	0	10	BJAE	
CCCCC[C@H](C)NCC1(C)CCCCCC1	394596233	BHVYZSXQBYAEIW-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCOc1c(C)sc2ccc(C(F)F)cc12	396248167	QZYRFQQRVILSSD-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1c(C(F)F)cc2ccsc2c1S	396250426	SVPHIPYZHNFNNK-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CN[C@@H]1C[C@H](C)CC[C@@H]1C(C)(C)CC1=CCCC1	400384983	JPVBAAYFKVVWFP-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@H]1CC=CCC1	402387848	PHCDFLGBQCZYCE-ARFHVFGLSA-N	238.415	4.556	0	10	BJAE	
C[C@H]1CCC[C@](O)(CCC(C)(C)C2CC2)CC1	406056186	KKVLLTWNYJGPOY-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](Nc1cccc(SCC)c1)C1CC1	689701486	GTINSAYONYINCP-OAHLLOKOSA-N	249.423	4.789	0	10	BJAE	
Cc1c(Cl)cc(N[C@@H](C)C2CC2)cc1Cl	690296731	WXADHIJJHNEMME-QMMMGPOBSA-N	244.165	4.512	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC[C@H]1CCCC2(CC2)C1	695696000	ZFTWQTNYLIOBEA-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
O[C@H](CCC1=CCCCC1)[C@H]1CCCC2(CC2)C1	696489922	GRYUPCQVQCXHKR-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CCCC(N)(CCC)[C@H]1CCC[C@@H](CC)C1	704979380	PUYYNFKYFGHFPI-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)CCC1(N)CCC2(CCCC2)CC1	707775884	GNTPRNASHNXXQJ-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](C[C@H]1CCCCCC1=O)CC(C)(C)C	709273151	MVZUQSBOOTWORS-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CCC(N[C@@H]2CCCC[C@@H]2C2CC2)CC1	710135102	CRJCTKKYFNEOKA-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C[C@H](O)CCC(C)(C)C)C(C)(C)C	711182720	ZKVIEFDRMQWJHY-QWHCGFSZSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H](C[C@@H](N)CCC(C)(C)CC)C(C)(C)C	711213081	MKSDYYZWTFETKD-KBPBESRZSA-N	241.463	4.993	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCC[C@H](C)CC1	711281953	YWKVQAGPMBGQEI-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CCC2CCCCC2)C(=O)C1	717531564	JSOONTTVWYBAJS-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)c1cc(C)co1	718394661	JYXWMZICHCHDPC-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2CC2(C)C)CC1	722844076	AVPRPBXXNUUQNO-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1ccc(Cl)cc1	1905385793	CMGVJFAEVOACMK-SMDDNHRTSA-N	240.774	4.590	0	10	BJAE	
CCCC[C@H](CC[C@@]12CCCC[C@@H]1C2)NCC	1909894172	TWFZAOLUSCMSIU-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
ClC=CCNc1ccc(-c2ccccc2)cc1	1912059068	FIZQBZPCGPXMBW-UHFFFAOYSA-N	243.737	4.518	0	10	BJAE	
OC1(CC2CCC=CCC2)CC2(CCCCC2)C1	1912715543	NBYGORMXZLBZNP-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
O[C@H]1CCCCCCCC[C@H]1CC1=CCCC1	1913430751	OJJOEQNNKCDYLC-HOTGVXAUSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@@H](C)C1CCCC1	1924102896	CYORADIMKPRCJR-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)CNCC[Si](C)(C)C	1936244756	AHNJZQWFGXEEQQ-UHFFFAOYSA-N	243.511	4.521	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H](C)CCC(C)C	1937170204	UODJGPBYNZLNAY-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
CC[C@H](C)CC(=O)[C@H]1CCCC(C)(C)CC1	1939901389	UAWVYZWLSJMKPW-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC1(C)CCCCC1	1940404977	DIQZVZPXWXOWQC-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H](C(=O)CC1CCCCC1)C(C)C	1941264247	KFTMBOWSCUGECI-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@@H](CC)C(C)C	1941269277	OFTMQMGEKPHOIM-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(O)(CCCCCC2CC2)C1	1941576630	ULMFVXWJPICNNB-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)C(C)(C)C1CCCCC1	1944667142	ZMPRSCKMXLAGAB-GUTXKFCHSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCC[C@@H]1C)C(C)(C)C	1944843241	QEBZRAMQIUKUHQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](O)CCC1CCCCC1	1944853889	UOUIRMCGDVSKKU-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)CNC(C)(C)C1CCCC1	1945378853	DWVRRTRXKQDRTG-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC1(CCNCCCCC2CC2)CCCCC1	1945426147	YQUONMRKLUPCHB-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC(CC)C[C@@]1(N)C[C@@H](C)CCC1=C(C)C	1948965331	YLZAATVPGZSCRX-BBRMVZONSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H](O)CC2CCCC2)C1	1949871241	RUWGDVOCNQOMTD-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)CC[C@@H](CC1CCCCC1)NC	1949917863	QGKCWEJWBFARNZ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](O)CC2(C)CCC2)CC1	1950913971	LYCMVCBTMDFAQZ-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCCC(F)(F)C1	1959892232	ZWPLJFMFLRIXRC-GFCCVEGCSA-N	216.315	4.948	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CN[C@H]1CCCCC12CCC2	1965980893	UWLPPHGGZNQWBB-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NC[C@@H]1CCCCC12CCC2)C1CCC1	1967865391	RTOCKDWSGPNSFR-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCCCC23CCC3)c1	1968341230	JHUZOIWNOOPENM-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)c1ccc(C)s1	1973169880	JIDBATSDGKBDGM-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CC[C@H](C)CCC1=O	1984462978	VGVYJZWULLRTOB-JSGCOSHPSA-N	222.372	4.518	0	10	BJAE	
CC[C@H](CNc1ccc(Cl)cc1C)C(C)C	1988766440	CIHWENRZQJBBBE-GFCCVEGCSA-N	239.790	4.743	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC(C)(C)C1	1990093738	NZDWSXXWFIZZOH-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCC[C@H](C)CN(C)[C@H](CC)CCC(C)C	1990818651	XBRVIPOIRYSCDS-LSDHHAIUSA-N	227.436	4.569	0	10	BJAE	
CC(C)=CCc1ccc(C)c(C(F)(F)F)c1	1995361662	CJDCWIKVOGGKNY-UHFFFAOYSA-N	228.257	4.523	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](C)(N)C1(C)CCCCC1	1995987639	KOWDDANGONTMPT-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CCC(=O)C1CCCCCCC1)C(F)F	1996096669	GWXADNQLSVNJHI-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)[C@@H]1CCCC(C)(C)C1	2000039787	ZKSGABZKKSHDCA-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N(CCC(C)=C(C)C)CC(C)C	2000907127	NCSHSYVWYCXGBQ-UHFFFAOYSA-N	239.447	4.879	0	10	BJAE	
CCCCCC1CCC([C@@H](N)[C@H](C)CC)CC1	2003067127	NMABHHFCRHAVRV-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1CCCC2(CC2)C1	2003279092	ZLOSNDGSNDVZNP-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCC1(C)CCC(N[C@@H](C)CCC(C)C)CC1	2004342720	VUKFWHQVZBHOQM-FHERZECASA-N	239.447	4.760	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCCC2(C)C)CC1	2004351209	SNDFFURORCYSQC-NPCAHTBFSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCCCC[C@@H]1C	2004710771	CMPVSKUWZUVCSP-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1C[C@H](O)C[C@H](CC2(C)CCCCC2)C1	2006657213	HDMNCYUKGJZLIX-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)C1(C)CCC(C)CC1	2007686569	AOHSKEMAHGFLDA-LVDPKSTMSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)CCC(C)(C)C	2007933999	FUKMBMKJLYQINK-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC1CCC([C@@H]2CC[C@@H](C)CCC2=O)CC1	2009412345	XIDPGECQOOEJOX-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(O)CCC2(C)CC2)C1	2009544042	LYFBGLRGKOKRRU-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CCC2(C)CC2)CC1	2009548075	MUHVWVOJTFFQCG-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@@]1(N)CCC[C@@H](CC(C)C)C1	2009572181	LDHLRWFNPILMKG-CGFBPQRUSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C	2009594763	SWTJQELSFGIMTG-YEHCYSSBSA-N	238.415	4.556	0	10	BJAE	
CC=CCCC[C@H]1CCCCCCC[C@H]1NC	2009628342	NEYBFZYLHMNLBV-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](C)[C@@](C)(O)C1=CC[C@H](C(C)(C)C)CC1	2010718603	BYNWTGYATZBDNY-HEHGZKQESA-N	238.415	4.556	0	10	BJAE	
CCC[C@](N)(CC[C@@]12CCC[C@H]1C2)C(C)(C)C	2011018953	HPMCMWLMXDWPFD-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CSc1ccccc1N[C@@H](C)C1(C)CCCC1	2014331690	VQDOXLNXWWMQFX-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CCCCCC[C@H](O)[C@]1(C)CCCC(F)(F)C1	2014965153	DQWRTELVHNKWFT-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@H](C)C(C)C	2015386565	MOXLAPNKLDBRPV-CYBMUJFWSA-N	232.367	4.675	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC(C(C)C)C(C)C	2015395875	BRGNFVRGRKAKQB-OAHLLOKOSA-N	241.463	4.848	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CC1(CC)CCC1	2015595578	MZQIATBHKQPXOQ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1(CC2CCC2)CC1	2015796251	IEYDBWAOZZBHMV-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@](O)(CC2(C(C)(C)C)CCC2)C1	2017114414	LKGBMQICDCRCOQ-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(CC(=O)C[C@H](C)C(C)(C)C)CCC1	2017127344	NEAUYMDKTHWVQF-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)[C@H](CC1(C(C)(C)C)CCC1)NC	2017142653	XJAKJJNXFRJMEB-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1([C@@H](O)CCC2CCCC2)CCC1	2017159171	SJYLPVQFBPZIEQ-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@H]2CC[C@H](C)CC2)C1	2017650220	DUONTFISFAJFDO-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@H]1CC[C@H](C)CC1	2017651018	ONHLAJHXEXVXCW-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](C)CC1=CCCCC1	2017735780	HLMGBGRKWSFQBH-KGLIPLIRSA-N	237.431	4.680	0	10	BJAE	
CCCC1CCC(CC(=O)C(CC)CC)CC1	2017768408	CQOSMJXKNVFEEC-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC1C[C@H](C)C[C@@H](C)C1	2017807404	MIBZVTSZFOTKRX-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@](N)(CC)[C@H]1CCCC(C)(C)C1	2018130041	MKXNFELZQJYGDI-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H]1CCC2(CC2)C1	2018135529	ZTNPKEZTPVJTQK-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC1(CC(=O)C2CCC(C)(C)CC2)CC1	2018921660	BDZPUPOCQJJZCH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(CC)CN(C)[C@H]1C=CCCCCC1	2019124569	RKJLOMIJOIELJF-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC(C)(CC)CC	2019196709	RLRPZJAQPOVOER-OAHLLOKOSA-N	241.463	4.961	0	10	BJAE	
CCCC[C@](N)(CC)C[C@@H]1CCCC(C)(C)C1	2024092800	VBKOJLRXALFCQS-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](C)C[C@@H](C[C@@H]1CCCC(C)(C)C1)NC	2024100342	BUFDTONUXXOWBH-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](O)[C@H](CCC2CCCCC2)C1	2024146234	IVJGDSSBIUVJPJ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
Clc1cccc2cc([C@@]34CCCC[C@@H]3C4)[nH]c12	2024287744	VHPUQQRUPWSPHD-IAQYHMDHSA-N	245.753	4.653	0	10	BJAE	
C=C=CCC[C@H](CC[C@H](C)CCCC)NCC	2026057972	BGJDYYDZAGIVBA-HZPDHXFCSA-N	237.431	4.692	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(N)C1=CCCCCC1	2026917394	FXRDLIOEZDSRGE-DJIMGWMZSA-N	249.442	4.667	0	10	BJAE	
CN(CCCC1CCC1)[C@H]1CCC12CCCCC2	2027012191	WUJKIAAZYHXKKV-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C[C@H](C)CC(C)C	2027899364	NZWBESRUTRKGJZ-PBHICJAKSA-N	248.410	4.745	0	10	BJAE	
O=C(CCCCCC1CC1)CC(C1CC1)C1CC1	2028632101	VSLJZYIAOJLRIM-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C1CC(C)(C)C1	2028872564	HVFNMYIBNUHTKM-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccccc1CC(C)C	2028926621	JCGVRCWGWZBBQL-MRXNPFEDSA-N	248.410	4.745	0	10	BJAE	
NCC1(CC(C2CC2)C2CC2)CCCCCCC1	2032166345	NZKAXYFYYWLKSW-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](C[C@@H]2C=CCCC2)C1	2035551709	JEBJERJNFROJNT-RBSFLKMASA-N	248.410	4.764	0	10	BJAE	
Cc1cccc([C@H](C)N[C@H](C)[C@H](C)CC(C)C)c1	2036377728	WGGBAAGOHORGAL-OAGGEKHMSA-N	247.426	4.716	0	10	BJAE	
Cc1ccc([C@@H](N)C[C@H]2CCC[C@@H](C)C2)cc1C	2037049288	ZBSYTWRVXFSMKV-PVUWLOKVSA-N	245.410	4.520	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@H]1CC1(C)CCCC1	2037225635	WNDRRHQYJCJFIC-ZFWWWQNUSA-N	243.394	4.802	0	10	BJAE	
C[C@@H](C(=O)[C@@H]1CCC2(CCCC2)C1)C1CCCC1	2037683703	UVFSUGMKGLBVAM-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CC1CCCCC1)CC1CC2(CCC2)C1	2037975180	ULFMWBXVEUAOAF-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@H]1CC12CCCCC2	2038996456	KYWIRCGVNNQESI-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@@H](N)C1=CCCCCCC1	2039433159	AEMNEZJVIQWIJZ-OIISXLGYSA-N	247.426	4.587	0	10	BJAE	
CC1CCC([C@H](C)NC[C@@]2(C)C=CCCC2)CC1	2040632377	DNEMYGPHBYSJLL-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@H]1CC12CCCC2	2041836162	CTXMHOAPVJCQPO-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2ccn([C@@H]3CCCC(F)(F)C3)c2c1	2045451357	UNICWBOFXUHYTJ-CYBMUJFWSA-N	249.304	4.700	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1ccc(CC(C)C)cc1	2045586657	FNLRJSUORMENSB-HOCLYGCPSA-N	244.378	4.504	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCC1)C1(C)CCCCCC1	2045795953	CWKNWGADDKGGIV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C[C@H]1CC12CCCC2)C1CCCCCC1	2047024288	SVIHSTLASZQHPK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)C[C@@H]1CC12CCCCC2	2047055321	JWAUUEBPUCJXEG-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(N)C[C@@H]1CC12CCCC2	2047062114	LFFYQILGERBKTN-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
C1CCC2(CC1)CCCC[C@@H]2NCCCC1CC1	2047585318	AFUYPAAWSYCRFG-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H](C)c1ccc(NCC2(C)CC=CC2)cc1	2047727403	XARKANQOCPCHCZ-CQSZACIVSA-N	243.394	4.968	0	10	BJAE	
C1CCCC(CCNC2[C@@H]3CCCCC[C@@H]23)CC1	2048386453	BBYHECCRLAHIBH-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@]1(C[C@H]2[C@H]3CCCC[C@H]32)CCCCCN1	2048451997	XTXXROXFHMTHGR-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CCC1(NCC2[C@H]3CCCCC[C@H]23)CCCCC1	2048453162	WICVAUZWDYAESY-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)C1[C@@H]2CCCCC[C@@H]12)C1CCCC1	2049171266	UTDQVOPFXXJLCE-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CC2CCC=CCC2)C1	2049491656	BHCWAOANKUPQNG-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@H]1CC[C@H](C)CC1	2049635721	ACZOTWMNKSMPNQ-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@H](N)CC2CCC3(CC2)CC3)CCC1	2049846691	VPCLWHPHLZNVKO-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)CC1CCC2(CC1)CC2	2049858107	OHMCLVGANASSCI-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@H](N)c2ccccc2C)CC1	2050460121	FCHDEXCEWRADNI-VMBOVVBDSA-N	245.410	4.601	0	10	BJAE	
CC(C)c1ccncc1N[C@@H](C)C1CCCCC1	2053852746	ALQVCWLEUCCCGW-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
CC1CCC(C)(C(=O)C2[C@@H]3CCCCC[C@@H]23)CC1	2056537579	XRNGNFMWNCGFTD-YXXKGXSTSA-N	248.410	4.598	0	10	BJAE	
O[C@@]1(C=C2CCCC2)CCCC2(CCCCC2)C1	2056853718	RAXRVLYPWYWVJX-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H]1CCC(C)(C)C1	2056884697	WWQUOHCFVRSYED-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
N[C@H](C1=CCCCCCC1)C1(C2CC2)CCCC1	2057608651	IJEDECOBOBOSNY-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CCC[C@@H]1NCC[C@]12CCCC1(CCCCC1)C2	2058476501	WYUKFLMBTNJKBX-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)C[C@@H]2CC2(C)C)CC1	2061090040	XWPPTBQLESUCOT-RBSFLKMASA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@]1(C)C[C@H]1C	2061150081	IAFWYQIAZBNYAM-FRFSOERESA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](NC)C2=CC[C@@H](CC)CC2)CCC1	2061152021	XHQNRCXKKPGKMJ-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C)([C@H](N)CC[C@@]23CCC[C@H]2C3)CC1	2061571392	KEEJYZPEWUCDQB-MNSQOIKPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)CC[C@@]23CCC[C@@H]2C3)C1	2061600817	CNBDJHCOAOWOTI-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(N[C@H]2CCCCCC23CC3)cc1	2062016633	IRMGAPURBWMUBH-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CC(C)c1ccc([C@H](O)CCC[C@@H]2C[C@H]2C)cc1	2062602490	JAVIYSXVIDBVEA-KBRIMQKVSA-N	246.394	4.670	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063476162	GNSLOIBKMIFPFU-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2C[C@@H]3CC[C@@H]3C2)C1	2068775121	XCZAXWMULPVJNL-JSGMBBGDSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](O)CCC(C(C)C)C(C)C)cc1	2068822891	MXDPCQNNYRAUAD-QGZVFWFLSA-N	248.410	4.737	0	10	BJAE	
CCCC1(CC[C@H](N)c2ccccc2F)CCC1	2069343178	WVJOMSLYOQUARU-HNNXBMFYSA-N	249.373	4.576	0	10	BJAE	
CCCC1(C[C@H](NC)c2cc(C)oc2C)CCC1	2069344275	JKVBKXZWYNPGEO-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CC(C)=CCC[C@]1(C)CCNC[C@@H]1C1CCCC1	2070402007	BFLFAEMIXHBWOK-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(CNC)CC=CCC2)CC1	2072798112	GPAAIBJCCDUHHG-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C(=O)CC[C@H]2CC[C@H](C)CC2)cc1	2072880726	ZFCXEQGDUMOCHI-CTYIDZIISA-N	244.378	4.784	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(C)cc1OC	2073355669	RMKAWAITFJHWMY-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CC(C)(C)NCC1(C[C@]23CCCC[C@@H]2C3)CCC1	2074029167	MAUVASFCMWNBSR-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)[C@@H]1C=CCCC1	2074644794	VCAHIYLWQFHIOK-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N(C)[C@@H]1C=CCCCCC1	2074809186	IYPCNPBRYMPMQM-BRWVUGGUSA-N	249.442	4.776	0	10	BJAE	
CC[C@H]1CC[C@H](CN(C2CCC2)C2CCC2)CC1	2075343784	KVBQEMAGFLWUET-SHTZXODSSA-N	249.442	4.610	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1CCC2(CC1)CC2	2077194791	LGHVXFDOTZICGM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1C[C@@H]1C1CCC1	2079303687	PNZKZIKEIOQLRX-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2C[C@H]2C2CCC2)CC1	2079329520	SDVFWZBVSHTKNW-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@@H]1C1CCCCCC1)C1CC1	2079532899	XOEUJFUSGCBXNG-IKGGRYGDSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1C[C@H]1c1ccccc1	2079554417	PYHZDWDEMMOSQZ-IKGGRYGDSA-N	246.394	4.512	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)C1(C)CCC2(CC2)CC1	2079634178	RTAUHIFVZYAWSF-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2C[C@@H]2C(C)(C)C)c(C)c1	2079844353	UZZHUSMNMMCNPS-ZFWWWQNUSA-N	244.378	4.558	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C[C@@H]2C2CCCC2)CCCC1	2079861036	FFQSLJQJSVIQIN-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
Cc1cc([C@H](N)C[C@H]2CCCC(C)(C)C2)c(C)o1	2082976922	VBPMJIIJOHMXQY-UKRRQHHQSA-N	249.398	4.503	0	10	BJAE	
CCCC1CCC(C[C@H](N)C[C@@H]2CC23CC3)CC1	2086353301	WWRZRNPOPBGERR-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCCOc1cccc2c(C[C@@H](C)CC)coc12	2086605385	IEQOATWOZGJMHD-LBPRGKRZSA-N	246.350	4.810	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CCC[C@H]1C	2212632064	YXNLCVBITSTEMO-MFKMUULPSA-N	237.774	4.503	0	10	BJAE	
C[C@@H](NCCCCCCC1CC1)C1(C)CCC1	2213575835	JSPVSBNQRZUEIW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CCCCC1CC1	2214571126	UYDDGFORYQTBJY-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@H](C)C(C)C	2214572671	GHZCYXZMUMJLCH-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CCCCC1CC1)CC1CCCCCC1	2214574475	UKVATFSXBWSVSX-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC1(C)CCC(N)(CCCCC2CC2)CC1	2214578995	GBOCJVVJFXTIIL-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@](C)(CC[C@@H]1C[C@@H]1CC)CNCC	2215264828	GPFHMGJCESGDFZ-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC1=CC[C@](C)(NC[C@H](C)CC(C)(C)C)CC1	2215797091	YQJPUGQPFOWOBD-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)CCC1CC1	2216877983	SCFGYCJBMCJVPI-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CCCCNC1	2216879646	LPGLURIATDYBFG-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
O=C(CCC1CCC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218322487	MOZFPRIBCAZTQU-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CC[C@](N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218356023	IOVTTWQJSXMVJP-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)C[C@H]2CCC[C@H]1C2	2218718785	RCPVGCLFENTGSV-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCCCCCC1CC1)CC1C[C@H]2C[C@@H]2C1	2218728628	VJBJPKNRTWBMTL-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@H](O)CCCCC2CC2)cc1	2220027595	JQPUAKKGUAYJQF-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@]1(N)CC(C)(C)CC2(CC2)C1	2220877152	NMTBRJHHKWJGSG-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@@H](O)CCC2(C)CC(C)(C)C2)c1	2221021955	BQDPPCPBKVTTGE-HNNXBMFYSA-N	246.394	4.635	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@]1(C)CC=C(C)CC1	2221615691	MHPAZLBZYORZDP-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H]([C@@H]1CCCC[C@@H]1C)[C@]1(C)CC=C(C)CC1	2221615949	OGHNLQDPLYWEPR-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC(C)C)c1cccc2ccoc12	2224179694	CZAOEDACPDPYLY-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
C1=C(Cc2cc3sccc3s2)CCC1	2242442845	AWATYNUQNDKWGU-UHFFFAOYSA-N	220.362	4.616	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)C(C)(CC)CC	2244780021	FRVSFFJTTOYTGZ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC(C)C1(C(=O)CC[C@H]2CCC[C@H](C)C2)CC1	2246667303	XXHKDPSBOXEUAG-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCCC[C@@H]2C[C@@H]2C)C1	2247162842	IITLJQXFNHRUQM-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@]1(C[C@H]2CCC2(C)C)CCCCCN1	2247399231	OUQMOGRAGHEDCP-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(=O)CCCCC[C@H]1C[C@H]1C)C1CC1	2248808524	OCGVBVOHXXWJTM-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C1=CC[C@H](C(C)C)CC1	2250353435	VCAFAWNFCHLOOG-DZKIICNBSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@]1(C)C[C@@H]1F	2250512951	CCWMWLILUKAWNF-KCQAQPDRSA-N	242.378	4.546	0	10	BJAE	
CCCCCC[C@@]1(N)CC(C)(C)CCC1(C)C	2251659149	LJDVIXFTJNCWNN-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC1CCC(C(=O)C[C@@H]2CCCCC23CC3)CC1	2253785029	VGCFKQGSEWLUHQ-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C(=O)CC[C@H]2CCCCC23CC3)CC1	2253797730	WKULKTNZEGXGSI-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CC(C)C1([C@H](N)CC[C@H]2CCCCC23CC3)CC1	2253865194	OQKQYDICZIWXFL-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC([C@@H](N)C1CCCCCCC1)C2	2254447106	FWKAYVAUXVXKJB-LYOOIAODSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1CCC2(CC1)CC2	2254580965	FNNJNPYJPUHLAF-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC1([C@H](N)CC2=CCCCC2)CCCC1	2255063596	LUWBMBGGGWQOLI-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CC(C)NC[C@@]1(CC2=CCCCC2)CC=CCC1	2255130951	GGTKQLHEFQTVQL-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
CCC[C@H](NCC[C@H]1CCCC12CC2)C1CCC1	2255239523	DRFRCZXJAWWCIR-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCNCC1(CC[C@@H]2CCCC23CC3)CCC1	2255256707	QXSLUXDZLOTXSI-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC1([C@@](C)(N)CC[C@@H]2CCCC23CC3)CCCC1	2255338819	SRQBTAMDCQGKBL-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@@H](O)Cc1ccc(CCC)cc1	2256232382	UFSBJGIPTIXASS-QGZVFWFLSA-N	248.410	4.513	0	10	BJAE	
Cc1cccc(N(C)CCCCC[C@H]2C[C@H]2C)c1	2257283579	NEIMRBQWHNDMQO-CVEARBPZSA-N	245.410	4.648	0	10	BJAE	
N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2CCC1CCCCC1	2258022887	DTZHNUISXGGGNF-WNKDZCFJSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](Nc1cc(C2CC2)ccc1F)C1CCC1	2259124961	CBXVWISQCFPDRE-OAHLLOKOSA-N	247.357	4.694	0	10	BJAE	
CC(C)(C)C1CC(C(=O)[C@]23CCCC[C@@H]2CC3)C1	2260515859	JMZLEWNMVLGDOT-GMUWMPNVSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)[C@]23CCCC[C@@H]2CC3)CC[C@H]1C	2260522680	XYGKQJAIMHDUHY-HNLJFRNMSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@]23CCC[C@H]2CC3)C1	2260658715	QTFXTYPEOIUNPU-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)C[C@@]12CCCC[C@@H]1CC2	2260677354	FDPVINGHNBIASK-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](C)(C(=O)CC(C(C)C)C(C)C)C(F)F	2299833671	QGDQDXKMYOLTRZ-AWEZNQCLSA-N	248.357	4.555	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CCC[C@@H](C)CC1	2300684206	RLBBGWBOAGNRBH-GDBMZVCRSA-N	239.447	4.713	0	10	BJAE	
CCC(C)=CC[C@](CC)(CNC(C)C)C(C)C	2300860326	GGDGZDGYRRCWLC-MRXNPFEDSA-N	239.447	4.783	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1csc2ccccc12	2300880205	JVGNANSYAPFAIK-CQSZACIVSA-N	246.375	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H](C)CC(C)C	2300880699	MJLSSBGRNLMRLQ-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H](C)CC(C)C	2300880700	MJLSSBGRNLMRLQ-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC=C(C)CC)CC[C@@H]1C	2300897480	SXGYRCLILWMDDJ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1[C@H](CC=C(C)CC)CCC1(C)C	2300899491	OSIRKUVMCORNOG-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(=CCC(=O)[C@@]1(C)C[C@@H]1C)CCCC(C)C	2300923414	IOKJPTGGOJURCF-HOCLYGCPSA-N	236.399	4.764	0	10	BJAE	
CCC[C@H](CCC=C(C)CCCC(C)C)NC	2300927325	ULWKECMGWPXDGT-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC1CCCCCC1	2301137169	FTRVFTAFQDJHOV-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)CC1CCCCCC1	2301143331	SWNUXGUOJJQVSF-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCc1ccccc1O[C@H](C)[C@H](C)C(C)C	2301840981	RPRZHVIWMDZAFX-ZIAGYGMSSA-N	234.383	4.699	0	10	BJAE	
CCN(c1cccc(C)c1)[C@H](C)[C@H](C)C(C)C	2301968783	UAMTZFCIPXOBFV-HUUCEWRRSA-N	233.399	4.502	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NCCCC1=CCCCC1	2302331137	JDVRAROFPANNKQ-CABCVRRESA-N	237.431	4.681	0	10	BJAE	
CCC1([C@H](N)CCCC2=CCCCC2)CCC1	2302340414	JRJZASFXYMOYFU-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C[C@H]1CCC[C@@H]1N	2302625224	QLSUDYJMQUTMQN-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
CC(C)CCCC(=O)CC[C@H]1CC[C@@H]1C1CC1	2303145843	BORWCGVEKCMJHL-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](NC)c1cc(C)ccc1C(C)C	2307502013	AHQYRBJKOMURHH-MRXNPFEDSA-N	233.399	4.569	0	10	BJAE	
CC[C@H](C)C[C@H](O)c1cc(C)ccc1C(C)C	2307503216	LMFGABRUBZJNDN-LRDDRELGSA-N	234.383	4.588	0	10	BJAE	
CC(C)c1cccc(NC2CC(C)(C)C2)c1F	2307571758	SDZRAVCXURVETL-UHFFFAOYSA-N	235.346	4.550	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CCC(F)(F)CC1	2307762025	ZAYJTRFJNPMRRX-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1C[C@H](C)C[C@@H](C)C1	2307823887	QDVJNFCXCRSGSR-NYTXWWLZSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC1CC(C)C1)NCC	2307894486	RILZKXUUIJMWOD-GRAKBVBRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCC(C)(C)[C@H]1NC	2307899711	RHAHDFRJCLIAFL-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](CCC)CC[C@H]1O	2307906160	CKBWFKCCJYRRTQ-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2309487624	GIAZYCZCMRJOKI-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C[C@H]1C1CCC1)C1CCCCC1	2311477864	XALUZTLJUYWHCL-KCXAZCMYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCC1	2311609296	UAKFQYQOMOFREV-XUWVNRHRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@H]1C[C@@H]2CC[C@H]1C2	2312959409	FBTBXJGEFJVSSS-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@@]12C=C[C@@H](CC1)C2	2316243606	QLKXUNVAJRQCEM-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@]12CC[C@@](N)(CC3CCCCCC3)[C@H]1C2	2316884843	KATOENQRXJMYMO-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCCOc1ccc(N[C@H](C)[C@H](C)C(C)C)cc1	2317994687	KMJLRYBZCZCTON-ZIAGYGMSSA-N	249.398	4.568	0	10	BJAE	
CCCN[C@H]1CCc2cc(C(CC)CC)ccc21	2318399682	SSHWNJCOMMFIJA-KRWDZBQOSA-N	245.410	4.577	0	10	BJAE	
C1=C(CCCN(C2CCC2)C2CCC2)CCCC1	2318588601	HUUVUUSUJIYDMG-UHFFFAOYSA-N	247.426	4.674	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@]23CCCC[C@H]2CC3)C1	2319286211	HPGLTIOXRYFMOY-KEYYUXOJSA-N	248.410	4.742	0	10	BJAE	
CC=C(CC)[C@H](C[C@@H]1CC[C@H]1C1CC1)NCCC	2319551971	VIPRHPOWZHUYQJ-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1CC[C@H]1C1CC1	2319581331	PFFRKLIGSLTDSW-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@@H]1C(C)(C)C)c1ccccc1	2320296009	JSBBYAOUTVSXGH-JYJNAYRXSA-N	245.410	4.552	0	10	BJAE	
CC(=C[C@H]1CCC(C)=C(C)C1)C[C@H]1CCCCN1	2320349004	VWSURNUCPHSMCY-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC[C@@H](C(C)C)C2)CC1	2320349060	WJZPUBUDGNSQBH-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
CC(C)CC12CC(C(=O)CCC[C@H]3C[C@H]3C)(C1)C2	2321572014	PKEXORAIICXZPK-VBJONLRCSA-N	248.410	4.598	0	10	BJAE	
CCc1occc1C(=O)CC[C@@H]1CCC(C)(C)C1	2321615424	FFWGRIYMWMXNDY-GFCCVEGCSA-N	248.366	4.631	0	10	BJAE	
C[C@@H](CC[C@@H]1CCC(C)(C)C1)c1cccc(N)c1	2321633755	LPUUJHJCZJQMOF-UONOGXRCSA-N	245.410	4.979	0	10	BJAE	
CC[C@H]1C(=O)CC[C@H]1c1cc(C)ccc1C(C)C	2327781377	JEZGUVBUKNVTKT-UKRRQHHQSA-N	244.378	4.591	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@H]2C[C@H]2C(C)C)c1	2327783898	IFVKLYSTAKWOGQ-HOCLYGCPSA-N	244.378	4.593	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCc2cc(C)ccc2N1	2328279355	VDPLQHIOWQLSDF-GOEBONIOSA-N	245.410	4.938	0	10	BJAE	
CCC1CCC(NC2CCCCCCC2)CC1	21813700	XZNWJJIBUAHVKF-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
Cc1ccccc1N[C@@H](c1ccccc1)C1CC1	41075293	BFRAWRNZPYEWPF-KRWDZBQOSA-N	237.346	4.558	0	10	BJAE	
CC[C@@H](Nc1ccc(SC)cc1)c1ccco1	54082613	JECOIFSLUUHKMA-CYBMUJFWSA-N	247.363	4.565	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)c1cc2ccccc2o1	62797919	AJROIXVQOMNIAR-TZMCWYRMSA-N	245.366	4.520	0	10	BJAE	
CCCCc1ccc(NC(=N)C2CCCC2)cc1	62990250	ZREVOTXMNNRVAG-UHFFFAOYSA-N	244.382	4.609	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H](C)C(C)C)cc1	70122565	VAGHPOKYVSGLGW-ZDUSSCGKSA-N	232.367	4.504	0	10	BJAE	
CC(C)=C[C@@H]1CC[C@@H](C)[C@H]2CCC(C)=C12	70455005	MZZFDMZYIBWOOA-KWCYVHTRSA-N	204.357	4.725	0	10	BJAE	biogenic,in-vitro
CC[C@H]1CCC[C@@H](C2(N)CCC(C)(C)CC2)C1	79657637	YXSKWYXGIBQEOS-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC[C@H](NC)C1	80412388	YJWRVSUZFIADHA-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C[C@@H]2CCc3ccccc3N2)CC1	86317667	VBINUFSLDPVASQ-XUJLQICISA-N	243.394	4.630	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)C1CCCCCC1	87947855	VQNJGPFAHSOLSW-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@H](C[C@H](C)CCC)c1ccccc1	88098162	UCLCPMHIFDVCEU-WBVHZDCISA-N	247.426	4.596	0	10	BJAE	
CC(C)C[C@H](NCCC(C)(C)C)c1ccccc1	104146745	GYNWJWQLFILCSP-INIZCTEOSA-N	247.426	4.800	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1cccc(Cl)c1	122137893	KBQHVHPSIFRRCZ-BXUZGUMPSA-N	239.790	4.556	0	10	BJAE	
CCCC[C@@H](NCC(CC)CC)c1ccccc1	124824559	HBPNVHJGPQFQSG-QGZVFWFLSA-N	247.426	4.944	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)c1cc(C)cc(C)c1	132470673	JUEOOZWMBLVQGO-HZPDHXFCSA-N	247.426	4.923	0	10	BJAE	
C1CCC([C@H]2CCCCC[C@@H]2CNC2CC2)CC1	155836217	UTOJRBPHODVNNM-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@H](N)C2CCCCCCC2)C1	158965156	ANYVACXMCDTGLT-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CNCC)C(C)(C)C	162297232	GASLEFSZBRGFMM-GJZGRUSLSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)C[C@]1(O)CCCC[C@H]1C(C)(C)C	167601798	GTEVRXXHBCUEJP-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
c1ccc(NC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1	167848713	YIVYCYVFMKBGGE-BZUAXINKSA-N	243.394	4.705	0	10	BJAE	
Cc1cccc2[nH]c(C3CCCCC3)cc12	215265199	DYWDIBZMFDNDFQ-UHFFFAOYSA-N	213.324	4.524	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@@H](C)CC	233131208	HSBSLFDSSVXAJG-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC2(C3CC3)CC2)CC1	233313487	LJFNTRUFDFRDPA-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cc(C)c(O)cc1C	233978550	FLAJPNORFGMXET-FZMZJTMJSA-N	249.398	4.636	0	10	BJAE	
Cc1cc(Cl)c(C(F)(F)C(C)C)cc1F	259083859	ZWRPEMDQPZOTGJ-UHFFFAOYSA-N	236.664	4.535	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)C1=CCCCC1	302276581	IHUWYIWCFXHDNY-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)NCC1(CCC2CCCCC2)CC1	302281301	USSFDZGHJNHRPU-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
Cc1ccccc1N[C@H](C)CCC(C)(C)C	304455765	YUVVVOTZYUYLCQ-CYBMUJFWSA-N	219.372	4.622	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@@H]2/C=C/CCCCC2)C1	305930702	DHBRVBUNEDENRY-BNQIEWIESA-N	249.442	4.681	0	10	BJAE	
CSc1sc2c(Cl)cccc2c1S	306652386	TUAZQPBXBXOUMX-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@H](C)CC(=O)CC1CCC(C)(C)CC1	309409804	FWDXFJKNTORWAV-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@H](C)CC(C)C	310195798	ZPZQTBCNOPRVBV-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CCC[C@H](C)C2)C1	310419560	NTECANZVGUWVAK-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H]1N[C@H](CC(C)(C)C)c1ccccc1	310634074	PAZQYNHICNEPFU-VNQPRFMTSA-N	245.410	4.552	0	10	BJAE	
CCC(CC)CN[C@@H]1CCCC12CCCCC2	313051067	ZYLVHBXDKXHARS-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@@]1(CCC(C)C)CCC[C@H](C)C1	317174788	LWLHVYUCXMFUJJ-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)C(C)(C)C1CCC1	322451298	GBYNRRDEPNCZEJ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C)[C@@H](CC)C[C@@H](C)C1CCCCC1	379967575	GDITVFQHFRSADF-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)C2(C)CCCCC2)C1	379996805	WHJPDSKKOANSNP-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC[C@H](NC1CCC(C)CC1)c1cccc(C)c1	380595899	FNPPOGWLKJUJNF-IMRCBTMISA-N	245.410	4.614	0	10	BJAE	
CC[C@H]1CC[C@H](CNC2CCCCCC2)CC1	382337006	IJQIACXEGWVUQA-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@H](C)c1ccccc1)NCC	385153192	NHWVXIRUFFJGIZ-YQQAZPJKSA-N	247.426	4.595	0	10	BJAE	
Cc1ccc(C(=O)CCC2=CCCCC2)cc1C	385847337	WWMQXGSUXRKTPZ-UHFFFAOYSA-N	242.362	4.767	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNCC2CCCCCC2)C1	389485716	QWNLXEMFOQANMG-RHSMWYFYSA-N	249.442	4.539	0	10	BJAE	
CCC1(NCCC2=CCCCC2)CCCCC1	389659579	SVWKSYAZTSUNSU-UHFFFAOYSA-N	235.415	4.579	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCC[C@@H](C)CC1	391178400	OTBIMSVQRIFDPB-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc2c1ccn2C1CCC(C)CC1	393957308	IIEPFKNQZZJEFZ-UHFFFAOYSA-N	227.351	4.701	0	10	BJAE	
CC[C@H](C)CCNc1cc(C)c(F)cc1Cl	394460021	PVOFACSYGFURRR-VIFPVBQESA-N	243.753	4.636	0	10	BJAE	
CC/C(=C/[C@@H]1CCCC[C@H]1C)CNC(C)(C)C	394773120	BAKIYZMSEDXGAN-KHRZRBRSSA-N	237.431	4.537	0	10	BJAE	
CCc1ccc2cc(F)sc2c1C(F)F	396223160	UYSOSZMMSFUQFD-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
Clc1cccc(Cl)c1NCCC1CCC1	398749959	BJXRWRDSVVTQGD-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CCC(C)(C)CCN[C@@H](c1ccccc1)C(C)C	686310771	LWVCBXQPKGVDMJ-MRXNPFEDSA-N	247.426	4.800	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CC(C)(C)c1ccccc1	686728145	DNXKLEULAOAYIN-ZBFHGGJFSA-N	247.426	4.508	0	10	BJAE	
CC(C)C1(CNc2ccc(C3CC3)cc2)CCC1	687275972	WZVZCIVGVUIZHV-UHFFFAOYSA-N	243.394	4.802	0	10	BJAE	
CCCC1(CNc2cccc(C3CC3)c2)CC1	687547629	JLMZXTQWTIIZIM-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC[C@@H](CC(=O)C[C@@H](C)C(C)(C)C)CC(F)F	688833236	JXBATBHVWAWLDB-MNOVXSKESA-N	248.357	4.699	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccc(C2CCC2)cc1	690160805	JVZSEHNHRNTNHH-SUMWQHHRSA-N	243.394	4.945	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC1CCCCC1	690188549	GVUOORCMUVGSFE-UHFFFAOYSA-N	245.410	4.864	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1ccc(C)cc1F	691132162	BDPNOHMRAKIFNP-DZGCQCFKSA-N	249.373	4.905	0	10	BJAE	
CC1CCC(CCN[C@@H]2CCC23CCCC3)CC1	694330817	MRYYKSVBRHQQPM-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCC23CCCC3)c(C)c1	694353890	YGLWVTQMWISEKZ-HNNXBMFYSA-N	243.394	4.747	0	10	BJAE	
CC(C)(C)c1cc(CC2CC2)ccc1Cl	694973419	QJOGQNSQUDMENB-UHFFFAOYSA-N	222.759	4.590	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H](C)C(C)(C)CC)C1	695107661	OMBGTSYFRJZWIO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCCC[C@@H]1C1CC1	696104307	LFYYDJLAFGVXFG-HUUCEWRRSA-N	247.357	4.515	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1coc2ccccc12	696598801	NZNJWWMJNOZWOE-AWEZNQCLSA-N	246.350	4.683	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1cc(C)ccc1C	696661058	UIZYHDNUBURZOS-HNNXBMFYSA-N	233.399	4.520	0	10	BJAE	
CC(C)=CCCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C	697850075	KDNROSHXAVLGSX-XJKSGUPXSA-N	236.399	4.764	0	10	BJAE	
CC(C)CCCCCNCC[C@@H]1CC=CCC1	706891328	VHLPLEHVQDYHPF-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C1CCC(CCCN[C@@H]2CC[C@@H]3CCC[C@@H]32)CC1	707861368	QLXDCTBDKAXDIJ-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@](O)(C[C@@H](C)CC(C)(C)C)[C@H]1CC1(C)C	709147322	BYKRJWNIOMJWGL-XEZPLFJOSA-N	240.431	4.636	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(O)CCC12CCCC2	709178942	RWRVFOFZHNRXGA-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CSCCCCNc1cccc(C2CCC2)c1	709662764	LHZSXRMCZJYWIP-UHFFFAOYSA-N	249.423	4.509	0	10	BJAE	
Cc1cc(NC2CCC(C(C)C)CC2)cs1	710761822	WPINJFMTTWOLNR-UHFFFAOYSA-N	237.412	4.683	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)CC[C@@H]2C)cc1F	713068805	WHEYHJCLFIFTPR-SWLSCSKDSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@H]2C[C@H]2C2CC2)C1	714805198	NBNMNTVRUWGURT-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CCOc1cc(F)cc(Cl)c1	718590983	AYGVQSZENGHPAO-UHFFFAOYSA-N	242.721	4.604	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)c1ccsc1	718599639	GSNFRPMFBLVOQI-AWEZNQCLSA-N	237.412	4.535	0	10	BJAE	
CCC(CC)CC[C@H]1CC(=O)C[C@H](CC)C1	1900693752	QYVQBVAIBRMWBT-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCc1ccsc1[C@@H](N)CCC(CC)CC	1900695540	GZWRCKVANODVET-ZDUSSCGKSA-N	239.428	4.527	0	10	BJAE	
CCN[C@@H](CCC(C)C)CCC(CC)CC	1900704559	RRLMPISCLNEDHC-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCC(C)=CCc1ccc(C(F)(F)F)cc1	1900831681	GYVADZRHSOHSJQ-UHFFFAOYSA-N	228.257	4.604	0	10	BJAE	
CC(=CCC[C@@H](N)C(C)C)CCCC(C)C	1900869899	XXRIBQMGRVDVOB-OAHLLOKOSA-N	225.420	4.523	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@H](C)CC(C)(C)C	1901720067	IVCOTHUXOJPVAM-AGIUHOORSA-N	226.404	4.556	0	10	BJAE	
CCc1cscc1NCCC1=CCCCC1	1902381045	JDDHWQQIQLKHQG-UHFFFAOYSA-N	235.396	4.613	0	10	BJAE	
CCC[C@H](CC)COc1ccc(C)cc1C	1905295544	WPQBVCZVAXXAPF-AWEZNQCLSA-N	220.356	4.509	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNC1CCCCCCCC1	1909573820	RFDPPQGNJNLRAP-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](NC2CC3(CCCCC3)C2)[C@@H]1C	1912707382	DFGYIAXNQGVIEI-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@]1(C)C[C@@H]1N[C@H]1CCC2(CCCCC2)C1	1915855459	QQLGTVXFRSHQHP-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
Fc1cccc(N[C@H]2CCC3(CCCCC3)C2)c1	1915869920	RECLLGXFQUMQFN-HNNXBMFYSA-N	247.357	4.741	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCC2(CCCCC2)C1	1915879983	LEHBAVJTYMAIJK-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1[C@@H](N)C[C@H](C)C[C@H]1C	1916018330	BYSVRYXIZMVDMC-LJIZCISZSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CC1CCC(C)CC1	1920201792	IPKJTCNTJQYZBZ-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
CC[C@@](N)(c1ccc(C)cc1)[C@H](C)CCC(C)C	1920492049	SMOWFLLXJMUTKP-WBVHZDCISA-N	247.426	4.631	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H](C)C1CCCC1	1924099311	RANIXEOFGWKXRV-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
NC[C@H]1CCCC2(CCC2)[C@H]1CCC1CCCC1	1924834143	AWRIBXIDJLDUND-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc(Cl)c([C@@H](N)C2=CCCCCC2)c1	1925542895	OYVICHAYVOHKTR-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
COc1cc(C)cc(C)c1C[C@@H]1C=CCCCC1	1925842902	FWUGRYCJUSDIDW-OAHLLOKOSA-N	244.378	4.601	0	10	BJAE	
CC(=C(F)F)c1ccc(Cl)cc1Cl	1927563858	SBRFOFGWSXPYHQ-UHFFFAOYSA-N	223.049	4.621	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(O)CCCC1(C)CC1	1940870530	UNHDZTQQDYYXRO-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C[C@H](N)CCCC1(C)CC1)C(C)(C)C	1940874794	HDKSBNJVMAQVGL-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NC)C1CCCCCC1	1941263678	PDFIHMXYTRUOSI-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@@H](C)CCC(C)C)[C@@H](C)C(C)(C)C	1942659858	JYTZOUODFZNSHN-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CN[C@H]([C@@H](C)CCC(C)C)C1(C)CCCCC1	1942664176	WOFMBSHNDZJIHA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)C1CCC(C)(C)CC1	1942665293	XCBKDFWPYIMZBC-UKRRQHHQSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1CCC[C@H]1C)NC	1944819767	MGIQXXMTGFGJPC-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@@H]1CCC[C@H]1C	1944846900	STNKMBKOENKCKZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CCC[C@H]2C)CC1	1944847253	VZTXHYMGGPGBIQ-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@]1(O)C[C@H]2CCCC[C@@]2(C)C1	1948596986	UYINASQFBQYVMP-PMPSAXMXSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H]1CCCC[C@H]1C	1948931512	YBJQLNOODDUKMY-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CCC2=CCCCC2)CC1	1949042543	FFQUNAGOBHTHHK-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
CCCCCN(Cc1ccccc1)C1CCCC1	1953351060	OXCXLIBPMKMPTP-UHFFFAOYSA-N	245.410	4.621	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1[C@H]2CCCCC[C@H]21	1960869262	LMHPQXNNRFORQR-FICVDOATSA-N	206.373	4.949	0	10	BJAE	
CC1(C)CC2(CC(Nc3ccc(Cl)cc3)C2)C1	1968265774	PCAMUTMANDAXFA-UHFFFAOYSA-N	249.785	4.721	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)C2CC3(CCC3)C2)c1	1968307399	JNJVURKZWZJMEM-CQSZACIVSA-N	243.394	4.684	0	10	BJAE	
CC1(C)CCC(CNC2(C3CC3)CCCC2)CC1	1970877518	NAWCCJXTLMRBEG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C=C=CCCC[C@H]1CCCc2ccccc21	1985443681	KDZBNGRZJAQRNL-AWEZNQCLSA-N	212.336	4.618	0	10	BJAE	
F[C@@H]1CCCC[C@H]1CC1CC(=C2CCC2)C1	1985530728	LTSCYBXNZQIOAP-DZGCQCFKSA-N	222.347	4.795	0	10	BJAE	
CCCC1(C[C@@](C)(O)CC(C)(C)C)CCC1	1988464837	UHOBIFVDHHNSDD-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC[C@@H]1C[C@@H]1C	1989529669	SWVKRDILCRJHFN-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)CN(CCC)C(C)(C)C	1990760645	LZJCRPDXUXSJBU-CQSZACIVSA-N	227.436	4.713	0	10	BJAE	
C/C=C/CCCc1ccc(CCCC)cc1	1992406195	OXRPUPDAQGPFHD-HWKANZROSA-N	216.368	4.928	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)[C@@H](C)[C@H](C)CC)CC1	1997102120	CLXOIKNRJAGHHV-DGADGQDISA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCC2CCC2)CC1	1997104908	LCLYILMJLXDGSM-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCCC1(CN)CC(C(C)(C)C)C1	1998237351	UPAUUOFKBYLKHL-UHFFFAOYSA-N	239.447	4.604	0	10	BJAE	
CC1(C)CCC[C@@H](C2(CN)CCCCCC2)C1	2000163594	UBWWFDKNHROVJR-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@](C)(CNCC)C[C@H]1C=CCCCC1	2000517800	HKLRAMCUZSRNCO-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCNC[C@@](C)(CCC)C[C@@H]1CC=CCC1	2000518737	ROEIDJWNCUYZJD-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](C)(CNC(C)(C)C)CC(C)(C)F	2000519750	FEIVNZRNXUPPGO-OAHLLOKOSA-N	245.426	4.709	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H](C(F)F)C(C)(C)C	2002425762	KHMOLRQTFRHGQM-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)[C@@H]1CCC[C@@H](C)C1	2003007122	PCSPDJRQBRWAJK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H]1CC[C@H](C(=O)[C@@H]2C[C@@H]2C)CC1	2003067002	LRSBWLMQOISDIR-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](CC2(N)CCCCCCCC2)C1	2003098632	HFKXBAWOQRZODP-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@H]1CCCC(C)C	2003100293	QQSYBARXIFRMLK-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@H](N)CC2(C)CCCC2)CCCCC1	2003178843	IFGKQQSYHKNZIH-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@H]1CCCC2(CC2)C1	2003209119	UBVWDLFXLWLDLP-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCC[C@H]1F)CC(C)(C)C	2006738638	KZSGSJODPMLKJW-FRRDWIJNSA-N	242.378	4.546	0	10	BJAE	
CCC(C)(C)CCC(=O)C1(C)CCC(C)CC1	2007682056	UMWKEOLQZOBFRF-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C/C=C/CCCOc1cc(C(C)C)ccc1C	2009567134	NBQOBIJRXRMROU-AATRIKPKSA-N	232.367	4.854	0	10	BJAE	
C/C=C/CCC[C@]1(N)CCC[C@@H](CC(C)C)C1	2009572184	LDHLRWFNPILMKG-SWJNODNISA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC(C)(C)CC[C@H]1NC	2009612605	XXQGAWVEQAROAK-XEVLESSRSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@H](C)CC(C)(C)C	2009633736	BMPXJBUKWQYCKE-VIGJRRFGSA-N	239.447	4.783	0	10	BJAE	
CC(C)CCC[C@H](O)C1=CC[C@@H](C(C)C)CC1	2010716011	CXWITUCYDWPDPU-ZBFHGGJFSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C[C@]12CCC[C@@H]1C2	2010969575	ZAHTZANKPIILJW-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCCC[C@H]1C[C@H]1C)NCCC	2011583999	NPWWVMUCZWOBSA-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C[C@@H](C)C(C)C	2015400264	PXAMCSYBNLEHSZ-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@H]1C[C@@H](C)C(C)C	2015409054	NSUGLBAOQRWTAZ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC(C)(C)CC(F)F	2016120673	XHDHJOISMVHOSP-AWEZNQCLSA-N	247.373	4.522	0	10	BJAE	
C[C@@H](C(=O)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017123785	CZKKNWORHZGCFB-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CCCCCCN1CC[C@H]1C1CCCCCC1	2019291340	PGADJEBDLOXMDS-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
CCC[C@H](C)CN(C)C1CC(CC(C)(C)C)C1	2019302402	JVUQCMRGJWCFAV-NFOMZHRRSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCCCN1CCCCC(C)(C)C1	2019340770	RXQGGJMSVDAINN-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccccc2C2CC2)C1	2021026282	PLMDWWQRNQPUJP-JSGCOSHPSA-N	229.367	4.555	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2C[C@@H]2C(C)(C)C)CCC1	2022556621	HQAVCQJJYFNNJP-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CC(C(C)C)C(C)C	2023335933	KYXVQCGNSZNWOS-HNNXBMFYSA-N	239.447	4.639	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@@H](C)[C@@H]1NCCC	2023998890	FIRGFEKFEVNGAR-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)C2(C)CCCC2)C1	2024102561	UJOLQLJARDDCGZ-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C=C1CCCCC1	2026166086	HELHVVFYMCMNRB-GOEBONIOSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)C1C(C)(C)C1(C)C	2026167154	PJVYXPVPDIAKBK-OLZOCXBDSA-N	239.447	4.602	0	10	BJAE	
CC(C)Cc1cccc(C(=O)CCC2(C)CC2)c1	2027733493	YUXWKNPLRRRDCW-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](C=Cc1ccccc1)NC	2028582972	FOLHQYWMXSIPBJ-IAGOWNOFSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1ccccc1CC(C)C	2028914261	DSTDCWKNYUQAFO-KGLIPLIRSA-N	246.394	4.750	0	10	BJAE	
CCCc1cccc(C(=O)C2(C)CC(C)(C)C2)c1	2029111673	JATZQPBQLRSZKX-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@@]12CCCC[C@@H]1CCC2	2032484827	VMCPZAKMSMHDMT-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
CC=C[C@H](C)N[C@H](CC(C)(C)C)c1ccccc1	2034975834	AYKFMWKGCCYOJD-GOEBONIOSA-N	245.410	4.718	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C[C@H]1C=CCCC1	2035575338	GTSIVKFRZSJTTP-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1CC([C@@]2(CNC(C)C)CCC=CCCC2)C1	2036174632	ATHPCPUSUCFURG-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(CC(=O)c2cccc(C3CC3)c2)C1	2036358034	JZUMWZSXRRFZAD-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)[C@H](C)CC(C)C)cc1	2036386552	YLPTVMBENPRXBS-BZUAXINKSA-N	247.426	4.716	0	10	BJAE	
CCC[C@@H]1CCCCN(C[C@@H]2C=CCCCC2)C1	2036777798	BGLZRLGYGHYGPW-IAGOWNOFSA-N	249.442	4.635	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C2(C)CCCCCC2)c1	2037070206	IMQGRDLTKSEHGD-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
C[C@@H](CC(=O)CC1CC(C)(C)C1)c1ccccc1	2037974623	NNUNHIIOARGWDI-ZDUSSCGKSA-N	244.378	4.576	0	10	BJAE	
CC[C@H](CC(C)C)c1nc2c([nH]1)[C@@H](C)CC[C@@H]2C	2038007939	TXIVLRBZTRUVLM-RWMBFGLXSA-N	248.414	4.950	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@H]1CC12CCCCC2	2039007420	YNTOAVJMOFVCNX-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@@H]2C=CCCC2)CC1	2039383687	DFYIVQIFNNLXBI-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@H]1C(C)=CCC[C@@H]1C	2039433388	BMEWHPVTJBQBRK-BQJWPVKWSA-N	249.442	4.523	0	10	BJAE	
C1=C[C@@H](Cc2ccc(CC3CC3)cc2)CCCC1	2040732853	LTAUETXWVNBTIF-OAHLLOKOSA-N	240.390	4.928	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@]1(C)CC=CCC1	2042027248	LJRKEPNGKOPXRL-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H]1CCC12CCCC2	2043190294	IEZQOGGMQQAXGG-ZBFHGGJFSA-N	247.426	4.578	0	10	BJAE	
C1=CCC[C@@H](C[C@H]2Cc3ccccc3N2)CCC1	2045318047	RFWPLKYRSJLCCO-ZBFHGGJFSA-N	241.378	4.550	0	10	BJAE	
CCC[C@H](C)C[C@H](C[C@H](C)c1ccccc1)NC	2045750617	WMSXUYZDEONTFN-YQQAZPJKSA-N	247.426	4.595	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2C[C@H]3C[C@H]3C2)CC1	2045842599	PYQOXJSCNKBIPM-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)C[C@H]1CC12CCCCC2	2047006386	AKYAAWMGCXUCOR-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)CCC1	2048465167	FKLOBMMVCLZBLJ-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C1[C@@H]2CCCCC[C@@H]12	2048527984	QOASAQNNJJVILN-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)CC1(C)CCCC1	2049790280	HAOBLLBODDMJKP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@H]1Nc1ccc(CF)cc1	2055668258	TZZGTKCGYRSMBU-DAXOMENPSA-N	249.373	4.639	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)CC[C@H]1CC1(C)C	2056874332	WCXPHVJMMUGXQJ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C1=CC[C@H](C)CC1	2060926229	PRAFDRFNSWZWAX-YOEHRIQHSA-N	247.426	4.601	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)CC(C)(C)C[C@H]2C)CC1	2061121345	FLYJFTGKAKXZLY-CPUCHLNUSA-N	249.442	4.523	0	10	BJAE	
Cc1ccccc1C(=O)CCC[C@]12CCC[C@H]1C2	2061595989	JPEDUGKEONMOPU-YOEHRIQHSA-N	242.362	4.538	0	10	BJAE	
CC(C)c1ccccc1OCC1CC(=C2CC2)C1	2061706996	LRDKIJJJUNYEGM-UHFFFAOYSA-N	242.362	4.689	0	10	BJAE	
C[C@@H](CCC1CC(=C2CCC2)C1)CNC(C)(C)C	2061728966	QNDFFBOVZJFPKQ-ZDUSSCGKSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)C1CCC2(CC1)CC2	2062826652	XIDFHZJMAIWRGQ-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1C[C@H](CC2(C)CCCC2)CC2(CCC2)C1	2063643631	VMYJTGTWPVAOHB-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](C2CC3(C2)CC(C)(C)C3)C1	2063818657	UYQRUHOSOBVLAK-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C12CCCC1CCC2	2063822327	QRXDMDCPPNBKNQ-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)C2CC3(CC3)C2)c(C)c1	2064497809	NGNMDQASQGBCAU-AWEZNQCLSA-N	243.394	4.602	0	10	BJAE	
Cc1cccc(NCC23CCC(CC2)CC3)c1F	2065300828	QDUVWIKGVFVQJK-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CC12CCC(CC1)C2	2065328206	PNYGBKFMUDHLSB-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C[C@H]2CC23CCC3)CC1	2069188436	CRHWLEAUUORTBQ-GOEBONIOSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@](C)(N)c2cccc(C)c2)CCC1	2069343046	VTQKOPQZNHMKCL-MRXNPFEDSA-N	245.410	4.529	0	10	BJAE	
CCCC1(C[C@H](NCC)c2ccoc2C)CCC1	2069344005	GABWRQCIUNMGQL-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C1(CC2CC2)CCC1	2069515083	NJGLPGMNIDLFRV-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)c1ccccc1C	2070399352	QIJIOWAAIOUZJP-HZPDHXFCSA-N	245.410	4.781	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)C[C@]12CCC[C@H]1C2	2070971859	PLWYLPVGKWZYKW-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)C[C@@H]3CCC[C@@H]3C2)CCC1	2071943720	PQKZCTPTXUODOC-HALDLXJZSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@H]2CC[C@H]3CCC[C@H]3N2)CC1	2072813983	XZYNFXYXRAPVOP-GADNRMJZSA-N	249.442	4.514	0	10	BJAE	
CCCC1(CC(=O)c2ccc([C@@H]3C[C@H]3C)o2)CC1	2074601237	NHTUZMUUVRZVJH-VXGBXAGGSA-N	246.350	4.556	0	10	BJAE	
CN(C[C@H]1CCCC(C)(C)C1)[C@H]1C=CCCCC1	2075406247	YKQXUUIMTFWIFG-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@H]1C1CCCCC1)C1CCC1	2079530645	PBABQHUUMDWSTB-YESZJQIVSA-N	249.442	4.514	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2C[C@@H]2C2CCCC2)CCCC1	2079723943	JCYVDJAWVWTVCW-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCCN(C)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2081138452	VYNJBPHWMNFODD-YESZJQIVSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@](N)(C2CCC2)C2CC2)C1	2082974518	ADLPYPGFHDRYFL-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@](C)(N)CC1CC2(C1)CC1(CCC1)C2	2083616905	FWEMZIOFSOSPAL-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
C=C=CCCc1cc(Cl)c(Cl)c(Cl)c1	2209409147	UCFMSGLMKUPUKU-UHFFFAOYSA-N	247.552	4.921	0	10	BJAE	
CC[C@@](N)(CCCCCCC1CC1)C1CCC1	2213571131	DRTZSIOUHXXAHK-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C(=O)CCCCCCC1CC1	2213578406	LWCSBDDBJVXVBC-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@@]1(C)CC=C(C)CC1	2215817759	SMAUZGDAOCWPSZ-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC1=CC[C@@](CN)(CCCCCC(C)C)CC1	2215832697	IDXXDFNZOXRVBZ-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(CC2CCCC2)C1	2216253292	QPIXVMYDNKENFZ-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CCCCCCCC1CC1)C1CC1	2216884390	VEMJZOBLOYOSPK-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC1(CCC[C@@H](N)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218352114	UTQJRNRYKDUBBW-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)C/C=C/c1ccccc1	2219067484	XAULXIMMGORCGU-BAMWUGHESA-N	246.394	4.523	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C[C@@H]2CCC[C@H]3C[C@H]23)C1	2221084078	PWDOHCXARXBRRF-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C(=O)CC2(C)CC(C)(C)C2)ccc1F	2221088446	OIYRSEOEODHUGU-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCC1(CN(C)C[C@H]2CC=C(C)CC2)CCC1	2221629701	GBCQFDSLGNBZME-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC=CCCCNC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222924054	YXODATHREYRNQN-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)C[C@]1(CNC2CCC2)CC12CCCC2	2223568799	JXHYZGPRBYJXDB-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCCCC(=O)CCCCCC[C@H]1C[C@H]1C	2243883014	BFKLITDJMJMJLI-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
CCCCCCS[C@@H](C)c1ccc(N)cc1	2246068129	XHPYBVMUQNXHAS-LBPRGKRZSA-N	237.412	4.643	0	10	BJAE	
CCCC[C@H](C)C(=O)CC[C@@H]1CCC[C@@H](C)C1	2246677566	DBEUFYODJOPOAV-ILXRZTDVSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CCCC[C@H]1C[C@H]1C	2247162336	BFQNASWOWCZSOF-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@@H]2CCC2(C)C)CC1	2247347914	NSMUFSSXCLZFOS-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(CCCCC[C@@H]1C[C@@H]1C)CC1CC1	2248868089	ZFJDFWQBMHZCQS-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CCCCC[C@@H]1C[C@H]1C)C(C)(C)C	2248870205	LNOCVTNIDXWTFT-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CC[C@H](NCC[C@@H](C)CCCC(C)C)C(C)C	2250490187	GNBZHFKQWYJHHP-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@@]12CCCC[C@@H]1CC2	2251186581	HHNYWKAIQVAIMC-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)cc(C(=O)CCCC[C@@H]2C[C@@H]2C)c1	2254592988	OQQXHRMNEKZKCD-LSDHHAIUSA-N	244.378	4.703	0	10	BJAE	
CCC[C@]1(C[C@H]2CCC23CCC3)CCCCCN1	2254960123	JTPHJUGMZJMXNK-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@]1(C)C=CCC1	2255063720	MPSFMGRQKGIPLC-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1CCC12CCC2	2257245250	IKDJONRVKMCTEW-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(OCCCCC[C@H]2C[C@@H]2C)c1	2257250273	XLYMLSXUAOFUHM-HOCLYGCPSA-N	246.394	4.844	0	10	BJAE	
CC(=CCCCC[C@H]1C[C@@H]1C)[C@H]1CC[C@@H](N)CC1	2257250915	BIZWORWXMHWRIX-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)C[C@H]2CCC[C@H]1C2	2257316547	RSEJTSZGRCQRSC-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)ccc1NCCCCC[C@@H]1C[C@@H]1C	2257328501	RBMWBNOXCPTRKY-GXTWGEPZSA-N	249.373	4.762	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCC2(CC2)NC1	2259617990	YZMJBXLANFTYQB-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(C(=O)[C@@]23CCCC[C@H]2CC3)CC1	2260523026	ZUMGARJIHBRCCM-UMPYDWHISA-N	248.410	4.742	0	10	BJAE	
O=C1CCC[C@@H](c2cccc(C3CCCC3)c2)C1	2260731694	XWYFLRKXABEXKG-MRXNPFEDSA-N	242.362	4.571	0	10	BJAE	
CCC[C@H](C)[C@@H](O)c1cccc(C2CCCC2)c1	2260732246	WUDQDPDFTKBEHJ-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCC(CC)CC)CC[C@@H]1C	2300677277	XWSBTZNNRIHHMS-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](N)C12CCC(CC1)CC2	2300690710	LRGIVUWKSHJMFR-HWOWSKLDSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCNc1ccccc1SC(C)C	2300867257	JRAHTDRQGDCDLI-UHFFFAOYSA-N	249.423	4.955	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1(CC(C)C)CC1	2300872235	NNZXNZDKBOKJMV-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](C)(CC=C(C)CCCC(C)C)C(=O)O	2300893881	YFYSNHRCRFISMN-HNNXBMFYSA-N	240.387	4.650	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)n1ccc2ccc(F)cc21	2301834482	ZCVOPVIXOUXMPF-NEPJUHHUSA-N	233.330	4.634	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@H]1CCCCC1(C)C	2301838787	FXSQNEYMXXJADB-MELADBBJSA-N	238.415	4.700	0	10	BJAE	
CCC[C@]1([C@H](C)[C@H](C)C(C)C)CCCCCN1	2301909506	DFYPBIMIGGELOX-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(CC[C@@]2(C)CCCCN2)CC1	2302541049	XODZILNWWBLYCA-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H]1CCC(C)(C)C1)NC	2302685215	MKKJXICKUCMBHM-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1CC[C@H]1C(C)(C)C	2303506904	APOMKGOBFBGKKS-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)N(C)C[C@H]1CC[C@H]1C(C)(C)C	2303512135	SHMSAWIKRHOXIS-RRFJBIMHSA-N	239.447	4.569	0	10	BJAE	
CC1=C(C)C[C@H](COc2cccc(C)c2)CC1	2303574836	DCWQZMJITJKGAB-OAHLLOKOSA-N	230.351	4.510	0	10	BJAE	
CCCC(O)(CCC)CC[C@H]1CCC(C)(C)C1	2304400746	YWVBZUKFZXAFKB-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H](C)c1ccccc1	2307747546	QEVGKSVWVLGBDK-GJZGRUSLSA-N	233.399	4.506	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CCC)[C@H]1CC1(C)C	2307826072	ILDKTPKBTDOCSF-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](C=C1CCC(C)(C)C[C@@H]1CN)CC	2307910088	WYEITNHUZJDFPK-DZGCQCFKSA-N	237.431	4.524	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC(C)(C)C)C[C@H]1C	2307928221	IXHZXIBFQNVMDF-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CC)[C@@]1(C)CC=CCC1	2308749677	FGOMDOMZDSVLKQ-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](N)C[C@@]12CCCC[C@@H]1C2	2311146564	SWNOGPJZDOXOSD-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)C[C@@H](C)CCC1=C(C)C	2311611374	UZPCBMRXCOCVPD-QSJFSLAZSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@H](C)CC1CCC1)CC2	2313646546	ZOKUFBUPWDTHKS-CJNGLKHVSA-N	243.394	4.548	0	10	BJAE	
CC(=CCN[C@@H]1CCC[C@H](C(C)(C)C)C1)C1CC1	2315275271	YXIIUJQOJWGBKJ-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC=CCC(=O)c1ccccc1-c1ccccc1	2316503820	RDWFBVTYBZWUGG-UHFFFAOYSA-N	236.314	4.503	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@@]12CCCC[C@H]1C2	2317911015	JFYWIUPZPKWSEL-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@@H]1CCC[C@H]1C	2318576129	MEWLAKQAHIEOBP-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1CC(C(=O)CCCC2=CCCCC2)C1	2318578381	MWAVNDFQNUUTHD-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CCCC[C@@H]2C[C@@H]21	2319232757	BGYHONOXEMRIGW-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@H]1C=CCCCC1	2320155884	FOVYWYYVCZOYOA-SOUVJXGZSA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CC(=O)C12CCC(CC1)C2	2320257750	IRTYBXLLWWLLHY-CWVKQELPSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(F)cc1NC[C@H]1CC[C@H]1C(C)(C)C	2320307410	KXZCSJQPCQFNLH-TZMCWYRMSA-N	249.373	4.618	0	10	BJAE	
Cc1ccccc1N(C)C[C@H]1CC[C@H]1C(C)(C)C	2320312902	QXBKCLIUHQXSJV-HUUCEWRRSA-N	245.410	4.504	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)C2(C)CCCCC2)CC1	2320334759	RXMHDFGAHTUOCD-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC1=C(C)C[C@H](CC2=C[C@H](N)CC(C)(C)C2)CC1	2320387601	IIHKTKKSZMPIMS-ZBFHGGJFSA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CCC23CCC3)CC1	2320407030	WKGGEVBFKMFFNV-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CCC1CC([C@@H](C[C@H]2CCC(C)=C(C)C2)NC)C1	2320422064	FNXYXLMFMKWBMY-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@@H]2C[C@@H]2C(C)C)c1	2320586474	HWXCARKQELNCEO-GVDBMIGSSA-N	246.394	4.526	0	10	BJAE	
CCc1cc(F)cc(NCC2CCC(C)CC2)c1	2321084105	FDLQGZWCLBIVNG-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccc(OC(C)C)cc1	20472791	GQTYBSPSAANHCB-AWEZNQCLSA-N	249.398	4.710	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccc(Cl)cc2C)o1	21792828	AVDWBOIWMMUXPN-NSHDSACASA-N	249.741	4.723	0	10	BJAE	
CCCC[C@H](CC)CNC1(C)CCCCC1	71126306	IXSFLCZHMNLNMB-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCCC[C@@H]1CC)C(C)C	80418208	IWVLQUJFUMRPAV-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1Nc1ccccc1Cl	82857376	CFDXCNYUQZHVPT-UHIISALHSA-N	237.774	4.577	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCC[C@H](CC)C1	83784119	FNJPDEAAPRGPQD-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](CCC(=O)c2ccccc2)C[C@@H]1C	85037985	VWRJVFZZGQZJRC-KKUMJFAQSA-N	244.378	4.722	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCC[C@H](C)CC2)cc1	86887968	RQVXTGKKXARLCY-JLJPHGGASA-N	245.410	4.614	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)c1ccccc1	94678401	LSZRHUJIIHGWOJ-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CCC[C@H](CCCN)c1c(C)c(C)cc(C)c1C	107657499	ZKLREYGNVBCWPB-MRXNPFEDSA-N	247.426	4.543	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@H](C)CC(C)(C)C	124278549	WMRXQCTWZWPJDP-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
CC(C)(C)c1csc(C2CCCCCC2)n1	131911081	MZYPMYXIHBMEGT-UHFFFAOYSA-N	237.412	4.878	0	10	BJAE	
CCCc1ccc([C@H](C)CCNC(C)(C)C)cc1	132687539	MANLKVGIWKHHEU-CQSZACIVSA-N	247.426	4.521	0	10	BJAE	
CCC(CC)COc1ccc(C(C)C)cc1	149500581	WRCHSNJMPDUQTE-UHFFFAOYSA-N	220.356	4.625	0	10	BJAE	
Cc1cc(F)ccc1-c1c(F)cccc1Cl	160402849	OOUILRQCAHPGKJ-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CC1CC(N[C@@H]2CCCC[C@@H]2C2CCCCC2)C1	163656194	DXWJBBUTHIFDAY-OKEQZYBDSA-N	249.442	4.514	0	10	BJAE	
CCCC(O)(CCC)c1cccc2ccsc12	165431844	OQELABXOVHSGPV-UHFFFAOYSA-N	248.391	4.689	0	10	BJAE	
CCCc1cccc(-c2ccc(O)c(Cl)c2)c1	166350580	DDSOWBVSYYPKGU-UHFFFAOYSA-N	246.737	4.665	0	10	BJAE	
CCCCCC[C@@H](NC)c1cc(C)c(C)cc1C	168624270	AWMGYAPNZUHEPR-QGZVFWFLSA-N	247.426	4.843	0	10	BJAE	
Cc1cccc2c1Nc1c(C)cccc1S2	168852709	TXKZJZMFWNAISQ-UHFFFAOYSA-N	227.332	4.512	0	10	BJAE	
CCCCC(=O)[C@H]1CCCC[C@H]1CCCC	196679707	FMZCHUZUNHOQHI-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@H]2C(C)C)cc1C	214444312	IDBCTHPSGTUTDV-IRXDYDNUSA-N	245.410	4.930	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1NC(C)(C)CC(C)(C)C	221913239	XBUDBFVYJLYVGT-RDBSUJKOSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCC[C@@H](CC)C1	226985568	IUDFFHHFMRTTOG-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1CC[C@@H](CC)C1	227456944	AHCJJURSRIDMRC-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCC1CC1)NCCC	229550980	QFHKTBAWTQZCEQ-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccc(C)c(Cl)c1	229616760	CYDMWZUAWJMSHG-FZMZJTMJSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@H](CC)[C@H]1CNc2c(F)cccc21	232992788	GVDFMCLAHRTGEW-WCQYABFASA-N	235.346	4.551	0	10	BJAE	
FC(F)c1cc(Cl)cc(Cl)c1Cl	238659771	AZNNBGJOTHDFFM-UHFFFAOYSA-N	231.456	4.584	0	10	BJAE	
Cc1sc(C(C)(C)C)nc1-c1cccc(F)c1	302439523	BBMHPNRAUHYEHJ-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H](C[C@H](C)CC(C)C)C1	302443925	WRYBYPAVNLBINZ-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
C[C@H](N[C@H](C)CCC(C)(C)C)C1CCCCC1	302520607	OYLRQZSYBYCXGX-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCCC(C)(C)C)C1	304150646	PGCVDOYZDSFTRV-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC(C)C1CCC(O)(CCCC(C)(C)C)CC1	305901884	BYGGETAHGCGTND-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CSc1c(Cl)cc2ccsc2c1S	306798801	DHAQVAPMXRUVNP-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CSc1c(S)ccc2scc(Cl)c12	306943989	WQKCZDGDMPTAOW-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@H]1CCC[C@@H](C)C1	308055737	OFYFWVTYNGTTPV-QLFBSQMISA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H](C)C1)[C@@H](C)CC	310143381	NMLDBWDQJFNAIY-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1ccccc1NCCCCCF	310186077	WAUZCMUWUAFCRT-UHFFFAOYSA-N	237.362	4.536	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC(C)(C)C)CC[C@@H](C)C1	318088255	WZBFKJUHFWXBQN-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)C1(CC(C)C)CCCC1	318736571	JUQFJXJUPSKBIR-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1scc(C)c1Cl	320130367	ZFQADZKSMDLEBN-APPZFPTMSA-N	244.787	4.575	0	10	BJAE	
CCCCC[C@@H](CC1(C)CCCC1)NCC	380727637	PQZPVEKZYIPHRI-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@H](NCC)c1cc(C)cs1	382301242	TZOVMWMYRIVRRZ-ZDUSSCGKSA-N	239.428	4.678	0	10	BJAE	
CCC[C@H](CNCC)CC1CCC(C)(C)CC1	383654780	IBHZVIQWECMZCB-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(N[C@@H](C)CC(C)(C)C)c(Cl)c1	384582506	KWASNPDAWNCCLP-NSHDSACASA-N	239.790	4.885	0	10	BJAE	
CCCc1ccccc1[C@H](NCC)[C@@H](C)C(C)C	384677077	SKCKTWVOCKWEMN-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1N[C@H]1CC12CCCC2	386954048	XHWCXVGJAKKRCR-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)CNCC1(C)CCCCCC1	394661894	SFJGEMVLUKZXHC-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCNCC[C@H](C)CCCCCC(C)C	394814910	MSIOOFVFQBWMMT-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCc1cc2scc(SC)c2cc1CC	396177140	JZWDHFFXXJQJDL-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cc2c(C(F)F)c(F)ccc2s1	396193583	GYAKMWLEAOXBMW-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1cc(F)c(C(F)(F)F)c2ccsc12	396289785	AZEAOPRCXWEGDT-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
C[C@@H](Nc1ccccc1C(C)(C)C)[C@@H]1CC1(C)C	397632297	OOOKMICXVLJBOZ-OCCSQVGLSA-N	245.410	4.831	0	10	BJAE	
CC(C)=CCC[C@H](C)CCNc1ccccc1	400791600	BUGFTQUKLUBENO-HNNXBMFYSA-N	231.383	4.871	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC(C2CC2)C2CC2)C1	400855127	YRGWYGDHWXGNIF-IUODEOHRSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc([C@@]2(O)CCCC(C)(C)C2)c1	688939021	NNYJBZULEBTHDI-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(Cl)cc(F)c1F	691013500	XYTHRMSFAGYBET-SECBINFHSA-N	247.716	4.609	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H]1CCC12CCCC2	693899160	MWCUMMKNRSYXFE-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1nc2ccccc2s1	695157768	VXHHJCGCZKYTNY-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C1CCC2(CC1)CC2	695627946	XIDFHZJMAIWRGQ-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCCC1)NCC1CCC2(CC1)CC2	695736123	FRZCHVFMZGPTQV-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCCC[C@H]2C2CC2)c1	696104304	LFPBTZZYDOOQDY-JKSUJKDBSA-N	243.394	4.684	0	10	BJAE	
CCC(C)(C)CCN[C@@H](C)CC1CCCCC1	696705425	NCCZNWUOHZSNIM-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C(C)(C)C(C)(C)C	697758139	FOOZFKSVKDJIOH-AWEZNQCLSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@@H](c1ccccc1C)C(C)(CC)CC	701152837	YMBYCNGMBHRKHM-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](NC)C(C)(CC)CC	701231324	MFZNMLUZEOOHKC-CVEARBPZSA-N	247.426	4.595	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@]1(N)CCCCC12CCCC2	704861192	PEDUOTWIMVHYHA-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@@H]1CCCC[C@H]1C	704861404	JRYNYJAATKGING-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(C[C@]2(N)CCC23CCCCC3)CC1	705264844	HGEVPSSTRSMAQQ-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@H](C)CC(C)(C)C	708294749	DPHKTRQWNLKRSD-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H](N[C@@H](C)[C@@]12CCCC[C@H]1C2)C1CCCCC1	709157637	WFQZIUINYHDGBN-OTRWWLKZSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(N[C@H](c2ccccc2)C2CC2)cs1	710706701	XEHJXBGZDSPIHH-OAHLLOKOSA-N	243.375	4.620	0	10	BJAE	
CC[C@H](C[C@@H](O)C[C@@H](C)CC(C)C)C(C)(C)C	711183238	VLQHFCHNHFSPMC-ZNMIVQPWSA-N	242.447	4.882	0	10	BJAE	
Cc1cscc1N[C@H]1CC(C)(C)CC[C@H]1C	713048719	JMRRFHQRANXXTL-PWSUYJOCSA-N	237.412	4.683	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)CC[C@H]2C)c(F)c1	713064952	KABCQTDPXWYIKO-IUODEOHRSA-N	249.373	4.761	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CCCC(C)(F)F	718613646	VCFZNPXLEOTLGG-OLZOCXBDSA-N	249.389	4.602	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1C)C1(C)CCC1	720711142	YGOFCDSGCXGGEM-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C[C@@H]1C[C@H]1CC	723070763	TUUBTOUMOUGTFO-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCCC(CCC)C(=O)c1c(C)csc1C	724945355	MBIZRNMNCNFASZ-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
C[C@@H]1CCN(C[C@H](C)C(C)(C)C)c2ccccc21	1459714156	DFRRVAXKLVIHCE-KGLIPLIRSA-N	245.410	4.682	0	10	BJAE	
CC1(CN2CCCC3(CCCC3)CC2)CCCC1	1621437899	WXRLRVAHHOCGLY-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
C1=C[C@H](N2CCC3(CCCCC3)C2)CCCCC1	1652571732	RUDYNDPFMUMWIB-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CC1(C)CCC(NC[C@H]2CCC=CCCC2)CC1	1658736722	FNOVQJROGJJWHB-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)NCC[C@H]1CC=CCC1	1659836902	VSDDSGBLGSSRTJ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)CC=CCCNC(C)C	1884963489	DGLQKSIVNFTSHB-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
C/C=C/CCCCC(C)(C)C(C)(F)F	1885361973	JYFVWRMWHHKLSM-AATRIKPKSA-N	204.304	4.804	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCCC1(C)C	1900695608	FCQXAJHJXOBVSO-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(=CCn1cccc1C)CCCC(C)C	1900867650	ZMOOBCQBXGXPSG-UHFFFAOYSA-N	219.372	4.569	0	10	BJAE	
CCC(C)=CCCc1c(C)cc(C)cc1C	1900899149	XAZBHOTVMXVLAJ-UHFFFAOYSA-N	216.368	4.901	0	10	BJAE	
CCC(CC)c1cc(Cl)c2ccccc2n1	1903150091	SJPVIWOZWVKHBM-UHFFFAOYSA-N	233.742	4.792	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C(CC)(CC)CC	1905433272	GFBWANHFJBEPMB-KBPBESRZSA-N	227.436	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCC[C@@H]2C[C@@H]2C)CC1	1908583810	RIKWQAWMKMOGLJ-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCCNCC(=C[C@@H]1CCC[C@@H](CC)C1)CC	1912051687	LXTWBWDGJTWLJR-GDBMZVCRSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)[C@H](NC1CC2(CCCCC2)C1)C1CC1	1912732318	MFUGKRHILVIJTG-OAHLLOKOSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@@H]2CCC3(CCCC3)C2)C1	1916430863	OCHOMWZMAPDWJY-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCC3(CCCC3)C2)CC1	1916431996	XGQINXQCRMHBMN-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
OC1(C2CCC2)CCCCCCCCCCC1	1919621805	XZKVAEXGSJJRRG-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CC(C)c1ccccc1C(=O)C1CC(C(C)C)C1	1921286264	ITEBICKECRPGFC-UHFFFAOYSA-N	244.378	4.675	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C1CC2(CCCCC2)C1	1921473696	MIIWVAYCGNHLMP-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(Cl)c2[nH]c(C3CCCCC3)nc2c1	1921494983	JGMNGPCVSZYWCD-UHFFFAOYSA-N	248.757	4.572	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@H]1C=CCCCC1	1925790582	KTVDBYRUZIMZTL-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C1=C[C@@H](CNc2ccc(C3CC3)cc2)CCCC1	1925886986	ASJZBTWRXSYIAD-CQSZACIVSA-N	241.378	4.722	0	10	BJAE	
CC(C)C1CCC(NC[C@H]2C=CCCCC2)CC1	1925932565	FGLPETWVMVJGIQ-GTPINHCMSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@H]1C=CCCCC1	1925946463	UACFVOMVYUUOKT-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CCNc1cc(C)cc(C)c1	1926201498	UBHJLYFLHQTENP-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CC(C)=C(C)CCNCC(C)(C)C1CCCC1	1940773432	LVLGWLULSZJTKW-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H](CC)C(C)C	1941268776	JJZRZZOLHGSDSN-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC[C@H](NCCCCCC1CC1)C1CCCC1	1941592017	QDLIMPUZNCWPQN-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@@H]1CCCC2(CC2)C1	1942656283	CIENAFKTFCZUEG-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H]1C[C@H](C(C)C)CCC1=O	1942664545	XRRKOBXCYORIBW-ZNMIVQPWSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCCCN[C@]12CCCC[C@H]1CCC2	1944194439	KXVQJGNFHPLKCW-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H](O)CCC1CCCCC1	1944853886	UOUIRMCGDVSKKU-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC[C@H]2CC[C@H]1C2	1947119022	WEQOQFHBOWCESE-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
Clc1cccc2ccn(C[C@H]3C=CCCC3)c12	1947568357	BXJQRBPOUXEJDP-LBPRGKRZSA-N	245.753	4.651	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)CC1(C)CCCCC1	1948327352	OVOYOWRZWDHAMJ-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@H]1C=CCCCC1	1949140546	VNCNYVOZAAFCAM-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CC1CC2(CCC2)C1	1949855394	PRKGOAMQFOPFMA-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CC2(C)CCCC2)CC1	1950930058	MIBCAZGPNWDZBC-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CC(N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)C1	1966053215	NYIYCHORCQZTGK-FWTFNCGHSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)NCc1ccccc1C1CCC1	1967776897	CEPBZQRKGPGLNL-AWEZNQCLSA-N	245.410	4.622	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)c1ccccc1	1968242316	HVOZCENGSBDIBF-AWEZNQCLSA-N	233.399	4.554	0	10	BJAE	
CCC1CCC(CNc2cc(C)cc(C)c2)CC1	1968307692	ODSUATRDNQZHQF-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
CCCC[C@H](CC)N[C@H](CCC)[C@@H]1CC1(C)C	1970831723	ZDMJHWIXGBIZMB-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@](O)(CC)[C@@H]1CCCC(C)(C)C1	1978329685	PZJIKUMFMOOHQM-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
C[C@]1(CC[C@@H]2C=CCCC2)CCCC1(F)F	1979998517	YDCCPCBVJGQZRE-CHWSQXEVSA-N	228.326	4.948	0	10	BJAE	
CCC(CC)[C@@H](N)C1(C)CCCCCCC1	1981415247	BPOUONKRKRQFIK-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)(CC)C(=O)c1sc(C)cc1C	1985604609	BBMNIIPGKIXPFP-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](CC)CCC(C)C	1986948761	RHYJCWOCSFFMSH-CABCVRRESA-N	227.436	4.760	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CCCCCC1CC1	1989861103	LRMQCBZJRIWWSU-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCCCN(C)[C@@H]1CCC2(CCCCC2)C1	1995886582	VLRKIENNKQDEGD-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CC1(C[C@@](C)(N)C2(C)CCCCC2)CCCC1	1995984973	FNTCRHUGKNBPND-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCC2(CCC2)C1)C(C)(C)C	1997044136	WRZBMPVBXMQOHA-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1CCC[C@@H](CC)CC1	1997109341	OPURLPKNXMRADH-PMPSAXMXSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H]1CC=CCC1	1997546397	LPJJYDTVHDOXHH-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C1CC(C(=O)CCC2CCCC2)C1	1998234991	PPBQUJKUJHDHRK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](CCCC(C)C)NC	2000255811	OUGCPXSFKDOVBO-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CCC1CC1)CNC(C)C	2000504710	KMBXDCGOHRLJAP-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CN(C)[C@H]1CCCC(C)(C)CC1	2000894269	FKUSTEIXUXUTQT-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCCN(C[C@@H](CC)CC(F)F)[C@H](C)CC	2000899669	DKUQABXMLYIXDN-OLZOCXBDSA-N	249.389	4.568	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CC23CCCC3)sc1C	2001251048	RIWGXUAXIXGRJU-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002227901	GMSUSMQWGOQPMS-ZSHCYNCHSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)CCC2CCC2)C1	2002999510	URAUCXOLMGMTKD-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCCC(F)(F)C1	2003203952	JGARRROMPPQCHI-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@H]1CCCC2(CC2)C1	2003215931	YPLHWSCIAQVEBR-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
O=C(CC[C@H]1C=CCCC1)c1ccc(Cl)cc1	2003670745	JUYXJLDMAHLURT-LBPRGKRZSA-N	248.753	4.659	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(CO)CCCC1(C)C	2005564655	DLWWALFPKROHHO-CJNGLKHVSA-N	240.431	4.638	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@@H]1CCC[C@H]1C	2006753106	APRWEMUHEBDONM-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCC(=O)C(C1CCC1)C1CCC1	2009572479	OYASXTXNXCYQRL-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CCCCCC1CC(Nc2ccccc2F)C1	2009716083	NNDXQYXDGGBXOE-UHFFFAOYSA-N	235.346	4.597	0	10	BJAE	
CCCC[C@](C)(N)C1=CC[C@H](C(C)(C)C)CC1	2010729617	PXZMVLPZQJIFQJ-BBRMVZONSA-N	237.431	4.667	0	10	BJAE	
Cc1ccc(C(F)(F)F)c(CC2=CCCC2)c1	2012463007	AIVSNQBTIZKWSK-UHFFFAOYSA-N	240.268	4.667	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)c1ccccc1	2013266442	GTJPVXIOCHBXEU-GDBMZVCRSA-N	233.399	4.552	0	10	BJAE	
CCC1CCC(N[C@H](C)C2(C)CCCC2)CC1	2014341185	WYVZKRRDPSGYGR-WLYUNCDWSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)CN(C)[C@H](C)C1(C)CCCC1	2014392858	NQKPWOXEMIMHGC-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCC1(C)CCC(N(C)C[C@H](C)C(C)C)CC1	2015335348	KYPZDXGZHDZMAM-FHERZECASA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@H](C)CC1(N)CCC2(CCCC2)CC1	2015397646	IQJKAFTUPNZDLX-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CC(C(C)C)C(C)C	2015398997	LVXHDSHXZGSMTG-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@H](NCC)C1(CC2CC2)CC1	2015750351	JSYKWDRRVGWPNC-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)CNC1(CC2CCC2)CC1	2015793893	STOWWTHJVKTKTA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@H]1CC[C@H](C)CC1	2017651017	ONHLAJHXEXVXCW-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](CN)C(C)(C)C)CC1	2017728059	HDDKCAGKIRPDJD-KKUMJFAQSA-N	239.447	4.604	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cccc(F)c1F	2018128089	USBKYUFRKFMANK-LLVKDONJSA-N	241.325	4.736	0	10	BJAE	
C[C@H](C[C@H]1CCCC(C)(C)[C@@H]1N)CC(C)(C)C	2020360937	KZWGSGLUCBIRHY-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@H]2CCCC(C)(C)[C@H]2N)CCC1	2020365578	XPYBRDMBYUASAJ-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C[C@H](Nc1ccccc1C1CC1)c1cccs1	2021025834	CZVNQUDAUSORLL-NSHDSACASA-N	243.375	4.799	0	10	BJAE	
CC[C@](CC=C1CCC1)(CNC(C)C)C(C)C	2023260476	LSPYONFINXLFHG-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@@](O)(CCCCC(C)(F)F)CC1	2023312048	QYBDLKSJQUXDIZ-JSGCOSHPSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H](C)C1CCC1	2023331376	JWDTZRDBUBGCJL-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1[C@@H](C)CCC[C@@H]1CCCC(C)(C)C	2023990375	BRMZSJFRWGMVDS-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CC1(C)CC1)NCC	2026061102	NQIYZNFPYXFRIW-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
c1sc([C@H]2CCCCC23CC3)nc1CC1CC1	2026541050	UBRMYOKSRQOCTR-CYBMUJFWSA-N	247.407	4.533	0	10	BJAE	
CCCc1ccccc1[C@@H](N)CCCC1CCC1	2027903768	PTCOFXMIFJTACY-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)C(C)(C)C2CC2)cc1	2028101413	NHAFPVCPROPWFR-MLGOLLRUSA-N	245.410	4.636	0	10	BJAE	
CCN[C@H](c1ccc(C)c(C)c1)[C@@H](CC)C(C)C	2028253341	VYQDMFCDKYAODL-DLBZAZTESA-N	247.426	4.636	0	10	BJAE	
CCC[C@@H](C(=O)c1ccc(C2CC2)cc1)C(C)C	2028604386	FWMBCFXKQUDBOJ-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)CCCCCC1CC1	2028619704	VFXQMMUFJIFERP-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CC(C)CCC[C@H](N)c1ccccc1C1CCC1	2029070470	PLHGUCFVSQQLQT-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
Cc1cc(C)cc([C@](C)(N)[C@H](C)CCC(C)C)c1	2029822322	AZKVETWVJXGHBR-NVXWUHKLSA-N	247.426	4.550	0	10	BJAE	
CCc1nc2ccccc2n1[C@H](C)CCC(C)C	2029835365	FVFGYXQPNPPPDP-CYBMUJFWSA-N	244.382	4.596	0	10	BJAE	
CCNC[C@]1(C[C@H]2CC=CCC2)CCCC1(C)C	2032107295	WDVYIWSMHFKLFN-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CNC(C)(C)C)C[C@H]1C=CCC1	2035588294	NRRJSNYDWOTKPW-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C(=O)[C@H]2CC23CCCCC3)CC1	2039011905	LRGFRCZPTGQVCQ-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CN[C@@H]1CCCCC1(C)C	2039451814	COFYRKPYVNOXFL-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C2=CCCCCC2)CC1	2041374799	DFEUONQALYVWNG-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
CC1(C)C[C@H]1CCCNC1(C2CC2)CCCCC1	2042950080	CNZKCEVTEZFXGP-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC(C)(C)C1)[C@H]1C=CCCC1	2043189066	YCGZFBNQPUDTOH-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CC1CCCCC1)C[C@H]1CCC=CCCC1	2045318027	RDIORGACTJUKDR-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2CC3CCC2CC3)CCC1	2045566676	RNOSLABXROAXLO-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@H]1C=CCCCC1	2045800489	VTBZVGINOUEWHD-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(=C[C@@H]1CC12CCCCC2)c1ccc(N)cc1	2047007099	FZXWMFOHCZTDSZ-OAHLLOKOSA-N	241.378	4.643	0	10	BJAE	
O=C(CCC1CCC1)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047425964	AMQLFWOHHJPPDR-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
CC1(CCCN[C@@H]2C[C@H]3CCCCCC[C@@H]32)CC1	2047445284	HPWRGUKAFDCYPG-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1[C@H]2CCCC[C@H]21)C1CCCCC1	2048374037	NVYXUVMODRHWMB-FAYQHZLMSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(N[C@H]2CC[C@H]3CC[C@H]2C3)CCC1	2049670353	SUEJZGAOZNBPEZ-VYDXJSESSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)[C@@]1(C)C=CCC1	2050001519	YSVBLSAYDYZIEU-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC1C2CCCC1CCC2	2050041489	IWYACFRQQNQBEE-HHPWFTGOSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCN(C)C1CCC2(CCCCC2)CC1	2051643891	XMUPTMPWNARWDF-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
Cc1cc([C@H](N)C2(C)CCCCCCC2)c(C)o1	2052470049	YUBYFIZURAVWJX-HNNXBMFYSA-N	249.398	4.647	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)CCC1	2055543106	XSXQMPOUJLPWHN-MAURAIGZSA-N	249.442	4.536	0	10	BJAE	
CC1=CCCC[C@H]1Nc1ccc2ccccc2c1	2055674537	QQFNSBRKBSMIRE-QGZVFWFLSA-N	237.346	4.751	0	10	BJAE	
CC(C)CC1([C@@H](N)C=C2CCCCC2)CCCC1	2056874981	BMQMAQKWKRSDJN-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1(C2CC2)CCCC1	2057593401	CPANNVBFANIHQA-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2059203489	KVANUIVHVLPQPM-HRCADAONSA-N	248.410	4.908	0	10	BJAE	
CC=CCCC[C@H](NCC)c1cc(F)ccc1C	2059225010	IKUQQZVQEYIZQH-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC1(CCC(=O)c2ccccc2C(C)(C)C)CC1	2059243350	OQJGMGKQHWDMKX-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C12CCC(CC1)C2	2059257412	XGYHMZIXPBHZAP-DSBFIYNKSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(NC[C@H]2CC23CCCCC3)C1	2059398901	ZHEDZTRMKOWGQM-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)C1CC(CC)C1	2061138322	VITIYKVKGRAOEQ-RKHAHWSXSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC1CC(=C2CC2)C1	2061666127	WYDNZUCTNUSSAG-IAGOWNOFSA-N	247.426	4.565	0	10	BJAE	
CC(C)CNCC[C@H](C)CC1CC(=C2CCC2)C1	2061666606	AXJGHFLJYWIXLO-AWEZNQCLSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@](C)(CNC)CC1CC(=C2CCC2)C1	2061739687	QAVLAJVDZBXMEH-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C)C2CC3(CC3)C2)cc1	2064496598	BVLKHSNXYOWPBV-ZDUSSCGKSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CC[C@H](C(N)(C2CCCC2)C2CCCC2)C1	2065937061	DBRZRTONVPXWQT-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@](C)(N)C1(C)CCCC1	2067529049	DBWVCNKGMCEDLR-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@H](CCC1(CC)CCC1)c1ccco1	2069283992	VTXGFVLTDYWTFO-CQSZACIVSA-N	249.398	4.681	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2(CC3CC3)CCC2)C1	2069506907	JMBKEUCQDIFXFQ-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C1(CC2CCC2)CC1	2069564733	XBUJVVGODZETSN-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CCCCCCC1	2071190324	HBTNKDKXAOWBKD-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1C)C1=CCCCCCC1	2071509359	AZSLHJGOQGGSBJ-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)CC[C@@H]2C[C@H]2C)cc1	2072095042	LHUOEKWXPMKLCF-NSNWQYSKSA-N	245.410	4.636	0	10	BJAE	
CCC1CCC(CC(=O)[C@]23CCCC[C@H]2C3)CC1	2072881928	OYPXHRYGSBTWRD-NDTCATRNSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@@H]2CCNC3(CCCC3)C2)CCCCC1	2074141831	NRLNAGXSGKVOOA-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCCC1(CN2CC[C@H]2C2CCCCCC2)CC1	2074588265	DSLJQPANVIQPQJ-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@H](CC2[C@@H]3CCCCC[C@@H]23)C1=O	2076450542	NSNYUHZBVWRRBE-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CCCN(C[C@@H]1CC12CCC2)C1CCCCCC1	2076558994	QWLVXPLLGCFSTM-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1cc(C)cc(F)c1	2077189676	KJGSXCIDPBGSEP-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CNc1ccc(C2CCC2)cc1	2079623263	FWNPFUUEIGNVLN-RDJZCZTQSA-N	243.394	4.658	0	10	BJAE	
CCCN[C@H](C)C=C[C@H]1C[C@H]1C1CCCCCC1	2079703848	XFPJRTNLQNHANV-PVAVHDDUSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@@H](N)[C@H]1C[C@@H]1C1CCCCCC1	2079786013	LQMRMHZYGSNOQW-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)C12CCCC1CCC2	2079851413	LASXKFURMNNIKF-SMOJQAGNSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C)c1ccc(C)c(CCC(C)C)c1	2082714277	BRSYMTVNYOYUOL-OAHLLOKOSA-N	247.426	4.644	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)[C@H]2CCC3(CC3)C2)C1	2082975796	LTAAKIWBJIUTBE-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2Cc3ccccc3N2)C1	2082978259	FVQSHGKITIHJKK-DZGCQCFKSA-N	243.394	4.630	0	10	BJAE	
C=CC=CCC[C@@H](CC1CC(CC)C1)NCCC	2084995432	BQFBCCUZMCHBJP-JCYILVPMSA-N	249.442	4.703	0	10	BJAE	
CCC[C@@](N)(CCCCCCC1CC1)C1CC1	2213571437	ISWQYDYOTZJTIB-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@H](N)CCCCCCC1CC1	2213576602	RWPWAEDJSSJRFY-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)CCCCCCC1CC1	2213581646	ZETPXURVAVUDHA-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](O)CCCCC2CC2)C1	2214568272	ISCQSPYPZOHCKE-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(O)CCCCC1CC1	2214582926	POYOLMSGSOCZMK-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1([C@@H](N)CCCCC2CC2)CCCCCC1	2214587234	ZCYUHHNPPTXZER-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1(C)CC2(CCC2)C1	2215373490	AHOSNHANZJHTJK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H]1C)C(C)(C)CCC	2216282871	MYEAKTFWJJRWFT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC(C)NCCC=CCC1C[C@H]2CCC[C@@H](C1)C2	2218361031	IZVPQCMCTKWUEY-ALOPSCKCSA-N	249.442	4.537	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1CC[C@@H]1C1CCC1	2218718790	RDLQFGYPANSCBT-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
NC1(CCCCCCC2CC2)C[C@H]2CC[C@@H](C2)C1	2218721025	OCJJZWKSEBGWOF-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@@H]1CC)[C@@]1(C)CC=C(C)CC1	2221633649	VKERFXMGWPVLJN-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](Nc2ccccc2F)C1	2222254963	DTDFXGHGWOSYCL-CHWSQXEVSA-N	249.373	4.843	0	10	BJAE	
CCC[C@]1(CNC2CCC2)CCCCC12CCC2	2223541180	GHHNSTJKOKOQRH-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1ccc2occc2c1	2224200413	CVVVGUHTFOIJJI-OAHLLOKOSA-N	244.334	4.603	0	10	BJAE	
CCCCc1ccc([C@@H](O)CCC(C)C)s1	2242605135	QEHAVBDGUHWLDZ-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
CC[C@H](C)Nc1cccc(C2CCCC2)c1	2245225319	MQRPIPUASWBXJE-LBPRGKRZSA-N	217.356	4.555	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)CCC2(C)CC2)C1	2246677550	CYOQEQZFUSOEBW-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)C1(C)CCCCC1	2247162293	GMLPXRUMJODUDY-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@@H]1C)C(CC)CC	2247163170	FNGIJXRTTVBQOH-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCC1(C(=O)CCCC[C@@H]2C[C@H]2C)CCCC1	2247174972	HQXLIWGSBXABKS-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](c1cc(C)c2sccc2c1)C(C)C	2248568475	ZAVGOJREYSRRON-AWEZNQCLSA-N	247.407	4.516	0	10	BJAE	
CCN[C@H](CCCCC[C@@H]1C[C@@H]1C)[C@@H](C)CC	2248821044	PRNVQNKFIZSDGE-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)Nc1cccc(C(C)(C)C)c1	2249259220	PURFZOWMKDJEQY-AWEZNQCLSA-N	233.399	4.975	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cccc2ccsc12	2250359319	RJYLVAIMZLAAKN-SMDDNHRTSA-N	248.391	4.761	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@H](CC)CCC	2250359914	UNOHZFBCQXJLQC-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1csc2ccccc12	2250369077	FAONMALBNQRCBJ-ABAIWWIYSA-N	248.391	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@]1(C)CCC(=O)C1	2250520980	XQWNQSNXUHJVLU-GDBMZVCRSA-N	238.415	4.988	0	10	BJAE	
Clc1cccc(NC[C@]23CCCC[C@H]2CC3)c1	2251172877	WLIDDHGAGAYOIX-SWLSCSKDSA-N	249.785	4.722	0	10	BJAE	
CCCC(O)(CCC)C[C@@]12CCCC[C@H]1CC2	2251213696	ZRRQUWCBNVZEEF-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
NCC[C@@H]1CC[C@@H](CC[C@H]2CCCCC23CC3)C1	2253886968	QQBAWOKUQLTQGX-HRCADAONSA-N	249.442	4.502	0	10	BJAE	
CCNCC1(CC2CC3(CCCC3)C2)CCCC1	2254052672	BPBBSVOTOFTNBT-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc([C@H](O)CCCC[C@H]2C[C@@H]2C)c(C)c1	2254582012	HIRQQASSMHTRAY-JLJPHGGASA-N	246.394	4.553	0	10	BJAE	
CC(C)c1cc(CN)cc(C2=CCCCCC2)c1	2254715525	PGWQUTUHNRMHAF-UHFFFAOYSA-N	243.394	4.616	0	10	BJAE	
c1cc(C2CC2)ccc1NC[C@@H]1CCC12CCC2	2254965739	SPAZYMHFEOTMRM-HNNXBMFYSA-N	241.378	4.556	0	10	BJAE	
CC1(CC(=O)CC[C@@H]2CCCC23CC3)CCCC1	2255313623	RXXWRMKIJTUPLA-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCC(N)(CC[C@H]2CCCC23CC3)CC1	2255328552	JHKBXWXAIWOBKS-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCCC12CC2)[C@@H]1CC1(C)C	2255334671	ZZKBKOVZPSAZCG-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC(C)(C)c1ccccc1	2259446529	ZQXSQRFUKCBGPL-ZBFHGGJFSA-N	247.426	4.508	0	10	BJAE	
CC(C)(C(=O)C[C@]12CCCC[C@H]1CC2)C1CCC1	2260583881	RMYVGYIPLNVATJ-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
CC[C@](N)(C[C@]12CCCC[C@@H]1CC2)[C@H]1CC1(C)C	2260659773	ZALHDUHSEQHZMG-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C[C@@]12CCCC[C@H]1CC2)C1CCCCCC1	2260679411	QYKGHMQGKWXEDT-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1C(C)=CCC[C@@H]1C	2300684684	WVRTVHYMEIWUID-NUEKZKHPSA-N	237.431	4.523	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C[C@H](C)C1CC1	2300700192	KGQFTQHNPPMIIO-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O	2300866911	FKPLERKBTIQCMM-RBSFLKMASA-N	238.415	4.556	0	10	BJAE	
CC(=CC[C@@]1(N)CCC[C@H]1C)CCCC(C)C	2300887340	HDNSRIUWNFMNNW-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2CCCCCC2)C1	2301142938	OGTCYLPJZMKFQG-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@@H]2C[C@H]3CCC[C@@H]32)n1	2302261883	GGLRIMKIEJTENY-WRWGMCAJSA-N	247.407	4.560	0	10	BJAE	
C[C@@](O)(CCCC1=CCCCC1)CC1CCC1	2302325415	HJASVNWHVRBXKU-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)N1CCCC1=CCCCC1	2302351305	HIYZNIVBZPLZQK-HUUCEWRRSA-N	235.415	4.530	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)C[C@H]1CC[C@H](C)CC1	2302614663	DNPZSLCKAUBOOK-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@@H]3C[C@H]32)cc1Cl	2302923081	ZFOIWOABWURYCJ-UXIGCNINSA-N	249.785	4.639	0	10	BJAE	
CCCC(C)(C)C(=O)CC[C@@H]1CC[C@H]1C1CC1	2303161010	LEJJQFADMGKJGM-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCCCCC(=O)C12CC(CC(C)C)(C1)C2	2304394828	VRGCUDJVUKSTQQ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCCC(=O)c1cc(C)ccc1C(C)C	2307507623	GIRJNDMSUGFBIE-UHFFFAOYSA-N	232.367	4.881	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(N)CCCC12CCCC2	2307824529	WPWYMUGYJPWHMF-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1CCC(CC)CC1	2307893955	KCPKTKLMXXZHRK-KNIAUWFNSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@]1(C)CC=C(C)CC1	2307899763	RORMVQGMUSXAFX-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	2308399661	CSVDMSBIOPFSMF-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1CCC[C@@H]1C[C@H]1C	2310426491	DJAQSZMYGHJTEJ-KBUPBQIOSA-N	243.394	4.658	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)C[C@@H]2CCC[C@@H]21	2312599349	JFPKPCOGHNIJOU-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CC[C@H](O)C[C@@H](C)c1ccccc1	2316244031	VRSYFZHGOWBWOQ-PBHICJAKSA-N	248.410	4.758	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1ccc(CC(C)C)cc1	2316501870	HYYFRDFVMSJLDJ-QGZVFWFLSA-N	245.410	4.631	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1[C@H]2CCC[C@H]21)CCCC(C)C	2316505146	XQQJXCYMWBMFBO-VVLHAWIVSA-N	249.442	4.523	0	10	BJAE	
CC(=CC[C@H](N)c1ccccc1)CCCC(C)C	2316566982	DMNIWXLUTLOGMA-KRWDZBQOSA-N	245.410	4.849	0	10	BJAE	
CC1(C)CC(=O)[C@@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316939797	MOPQRWNBBNSQOW-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
COc1ccc2ccn([C@H](C)[C@H](C)C(C)C)c2c1	2317987507	ZBVUCCBHOGXIQS-CHWSQXEVSA-N	245.366	4.503	0	10	BJAE	
C[C@@H]1[C@@H](N[C@@H]2CCCC23CCCCC3)CC1(C)C	2318174844	IEUYBVAEFLXSOT-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CNCC(=C[C@H]1CCC(C)(C)C1)C1CCCCC1	2319007821	UQXRIQOELBLNBL-CQSZACIVSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](C[C@]2(CN)CCCC23CCC3)C1	2319040449	XGUYVGAQNRUITM-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCC(C)=C(C)C2)C1	2320410820	AXJUKZNMIGAFIA-AQFXKWCLSA-N	249.442	4.824	0	10	BJAE	
CC(C)c1cccc(CC(=O)CCC(C)(C)C)c1	2320647314	YOKCBMDTLFAPRK-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@@H]2CCCCC23CC3)C1	2321599169	IJVPARQXBAMJFH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)C=CCCC2(C)C)C1	2321605324	KTLXYNQMFGKYHN-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1ccc(C2CC2)cc1	2328183493	MLIIDEGPNPKZFS-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)C1CC2(C1)CC21CCC1	2328293646	QGKDAMRHDBRGEH-HCEZTOJASA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1C[C@@H]1c1ccccc1	2328303068	ZMGZICURTFMZBV-NUEKZKHPSA-N	244.378	4.576	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccccc1Cl	19994829	VZLAQGFNUNJZMV-LLVKDONJSA-N	225.763	4.577	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cc(C)ccc1F	20471603	BYXLLKXIZUCLRF-DGCLKSJQSA-N	237.362	4.761	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccccc1C(C)(C)C	36956415	MRTGXJQORGTSPM-CHWSQXEVSA-N	233.399	4.831	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](c1ccccc1)C(C)C	36967199	MSQDIXHURRATCR-DOTOQJQBSA-N	247.426	4.942	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	37294904	QMADIGPCDWCJNR-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
Clc1ccccc1N[C@H]1CCC[C@H](C2CC2)C1	81624013	ONWGUGAVCKMHDM-STQMWFEESA-N	249.785	4.721	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCC[C@@H](C2CC2)C1	81637739	LOGUOYVTTXPXHQ-KGLIPLIRSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H](Nc1ccc(Cl)c(Cl)c1)C1CC1	83054167	DUBIBHGFWYSURI-GFCCVEGCSA-N	244.165	4.594	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H]1CCCC(C)(C)CC1	86894479	QXBUSRQWHWHTPR-CABCVRRESA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CO)c1cccc(C)c1	93127831	FXOYOJGNZBBURQ-RDJZCZTQSA-N	248.410	4.677	0	10	BJAE	
CCNC[C@@H](CCC(C)(C)C)c1ccc(C)cc1	93131795	SLMPWGHEGKRTFL-MRXNPFEDSA-N	247.426	4.514	0	10	BJAE	
CCC(=O)[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C	107537731	ULOODCFNGZVUEB-MRXNPFEDSA-N	246.394	4.703	0	10	BJAE	
CCC1CCC(N[C@@H](C)c2ccc(C)cc2)CC1	109902032	SDSZOPLVRFVQLZ-UQPPLGOBSA-N	245.410	4.614	0	10	BJAE	
CCCC(CCC)N[C@H](CC)C1CCCCC1	109953423	NUYFQRHMSVVDKW-MRXNPFEDSA-N	239.447	4.904	0	10	BJAE	
CCCc1ccc(C(=O)C2CCCCCC2)cc1	110171729	UFJASIOMNYSXJC-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCCC[C@@H](CC)c1nc2cc(C)ccc2[nH]1	112866392	DVOKZTLIIBULIF-GFCCVEGCSA-N	230.355	4.555	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Sc1ccc(C=O)cc1	123639081	GRHSUUXTPLFHNQ-DZGCQCFKSA-N	248.391	4.560	0	10	BJAE	
CCCNCCC(C)(C)[C@@H]1CCCC[C@@H]1CC	133910766	GOBPRDCFVOXHBQ-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCCCCN(CCC)C1CCCCC1	147309792	OVLPYDJPLZXKQR-UHFFFAOYSA-N	225.420	4.611	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCC(C)(C)C[C@H]2C)c1	155984775	MZUISKMRMDBONR-IUODEOHRSA-N	249.373	4.761	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C)[C@H]2C)c(C)c1	226998942	DFGOSCPMCONTSN-JGGQBBKZSA-N	231.383	4.540	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCC[C@@H](CC(C)C)C1	230788340	BDKDOBRCWXEPSD-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)C1CCC(C)(C)CC1	234438401	IQYSBRCBEXQSSB-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCCn1c(=S)sc2cc(C)ccc21	238275417	MDPJXEBPYNNSLL-UHFFFAOYSA-N	237.393	4.541	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)[C@H]1CCCC[C@H]1CC	252895277	AEXRZTADBLGNCW-UGUYLWEFSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C[C@H](C)CC)NC	252899857	IEXPNGDKRQANMQ-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CCC1CCCC1	304461047	ZYWDGVFYQNGBHZ-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
C[C@H](C[C@@H](O)CCC1CCCC1)CC(C)(C)C	305926113	IUJYIKLQWSGYHZ-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1cc(C)c(C)cc1C	308010790	AVWVKZMDYIERRO-NVXWUHKLSA-N	248.410	4.718	0	10	BJAE	
CC(C)NC[C@H](CCCC(C)(C)C)C(C)(C)C	309992714	VTDGJOVRMUPEPD-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CCc1ccc([C@](C)(O)C[C@@H](C)CC(C)C)cc1	310581268	UOOHNTSPDMRPKK-WMLDXEAASA-N	248.410	4.529	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1)C(C)(C)C(C)(C)C	311100467	TVNJRHCPBMNJPU-HNNXBMFYSA-N	247.426	4.718	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CCCC12CCCCC2	313028942	YQCXPPVPQWWEIQ-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H](N[C@@H]1CC2CCC1CC2)C1CCCC1	313450213	VDUVOMUUWJOQCA-MHVXSEJMSA-N	249.442	4.514	0	10	BJAE	
CCNCC1(CCC(C)C)CCCCCCC1	317665139	AMRJDWPXOCTZEZ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCCC[C@]1(CNC(C)C)CCC[C@@H](C)C1	317670830	VVWBLZGMPKPQPE-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(CNC2CC2)(CC2CCC2)CC1	319066734	OUMVZQJYLDDKOX-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC/C=C/c1ccccc1)CC(C)C	324263287	JTXPCRFSNALELB-FWVUHSSSSA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C1(C)CCCC1	382692611	ORHHREKLLHROGD-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@@H](C)[C@H](C)CNC1CC1	383236869	UQPOZPIOMHBJIK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2CCC[C@@H](C)C2)c1F	385303054	VZYFUJMUCWICAI-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C1(C)CCCCC1	385865907	IGJCCZRJLJXURK-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC[C@H](C)c1ccc(NCCCC2CC2)cc1	394645792	IUELZQGKKZWIEO-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
C[C@H](CNCCCC1CCCCC1)C(C)(C)C	395179438	DFNHNZFYBZBBLM-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCc1cc(C(F)(F)F)c2sccc2c1C	396309712	UMCJSCYABGAYFV-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
C[C@H](CC(=O)C1CCCCCCC1)C1CCC1	398655650	MMKORBDALUNDLP-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]([C@@H](N)CC1CCC(C)(C)CC1)C(C)(C)C	399130420	OSBWSAPEDDEQDA-JSGCOSHPSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NCC	402237002	BINIWSLXYJAIBS-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(CC)c(NCCC2CCCC2)c1	689511180	OOLVXMMLDBJPBN-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@H](Nc2cccc(C3CC3)c2)C1	690074944	GYGBNPBXQWYSGG-XNJGSVPQSA-N	243.394	4.801	0	10	BJAE	
CCC[C@H](C)CNc1cccc(C2CCC2)c1	690115505	YVMVHXJPYHNQSM-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
Cc1cc(N[C@@H](C)c2ccco2)cc(C)c1Cl	690263177	DYWYHYVAXGEDSW-NSHDSACASA-N	249.741	4.723	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCC[C@@H]1C1CC1	695810423	MYFWICWWUVXHGO-XHSDSOJGSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H](C)[C@H](C)CC	696184968	FBPRICLTDGWDFA-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCCCC1(C)C	696546464	QQRPXRBRAQUXQU-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)c1ccc(CC)o1	697774928	IDDMJIQOEQVCNL-OAHLLOKOSA-N	249.398	4.629	0	10	BJAE	
CC(C)=CCCCc1nc2ccccc2s1	697991503	JSFBUUZBTIPINB-UHFFFAOYSA-N	231.364	4.585	0	10	BJAE	
CCC(C)(C)C(=O)c1cc2ccccc2s1	701292868	JXEWTOGVWVDIKZ-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CCCC23CC3)cc1	706591897	NQUFULKTDOWKAY-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@H](C)CC(C)(C)C	708257113	NTZFHFCREJVLHM-CJNGLKHVSA-N	247.426	4.882	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)[C@]12CCCC[C@@H]1C2	709076084	HRLILNGAQDDPJL-ZJIFWQFVSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(N[C@H](C)c2sccc2C)cs1	710705310	IHQBOZJDVMJTTR-SNVBAGLBSA-N	237.393	4.600	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)C[C@@H](C)C(C)(C)C	711223767	HSZGWFTXLOVBCS-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CC(C)(C)CC)NC	713240710	DHDLOLYDYMPQAJ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCNCC1(CC(C)(C)CC)CCCCCC1	713334505	DVNQFYWUAMGCOX-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C=C/C=C/CCC1(CNC(C)C)CCC(C)CC1	713729301	WBKGFTXGPLRQCK-VOTSOKGWSA-N	249.442	4.703	0	10	BJAE	
O=C(c1cccs1)[C@@H]1CCC[C@H]2CCCC[C@H]21	714476709	SEZWMCUPAYXXIC-JHJVBQTASA-N	248.391	4.537	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CC3CCC2CC3)C(=O)C1	717464990	NAQBXZKPQQGGST-PFSRBDOWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@]1(O)CCC1CCCC1	719266891	HBSDAPWDNMFKKX-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
O[C@@H](CCCC1CC1)c1cccc(C2CCC2)c1	720170466	BPRQFBKLTYFWBO-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC[C@@H]1CC=CCC1	720957561	VHMQZYYHPJKUGX-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CCN(C)c1ccc(C)cc1C	1167085776	VXEKOFSCESWSRF-UHFFFAOYSA-N	233.399	4.566	0	10	BJAE	
C[C@H](CN(C)[C@@H]1CCC(C)(C)C1)CC(C)(C)C	1460051104	ZSWVMGITLFXBKM-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
C[C@H](CN1CCC[C@@H]1C(C)(C)C)CC(C)(C)C	1559575695	KELYTYHFSJFAPV-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(C)CCN1CCCC12CCCCC2	1657835351	ZODYMFQWQFWVOG-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCNC[C@@](C)(CC=C(C)CC)CCC	1900823325	PMLXSCIJZYFQEV-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CC(=CCC[C@H](O)C(C)C)CCCC(C)C	1900834731	ZWXBHNFSUVMYLB-HNNXBMFYSA-N	226.404	4.556	0	10	BJAE	
CCCC[C@@H](CCC1CCCCCC1)NC	1901136925	VZNUQRDCTBWGQH-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H](CC)CCCCC=Cc1ccccc1	1911829512	ZOARYKVFTCNPTI-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
O=C(CCCCCC1CC1)C1CC2(CCCC2)C1	1912605125	SNCKORQUHYCDDM-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H](C)C[C@@](C)(O)c1ccc(C(C)(C)C)cc1	1919631941	UKPDVUVTXNOOOC-CXAGYDPISA-N	248.410	4.628	0	10	BJAE	
CCCc1cccc([C@](O)(CC)C[C@H](C)CC)c1	1919971001	WHRXDYKCDULSQS-PBHICJAKSA-N	248.410	4.673	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H]1CCC[C@@H](C)C1	1920200392	COELMKHMYLTRHV-XUWVNRHRSA-N	239.447	4.747	0	10	BJAE	
CC1(C)C[C@H]1CC[C@]1(N)CCC2(CCCCC2)C1	1921540841	IVLZORZYIIBOQS-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCCNC[C@]1(CCC2CC2)CCCC12CCC2	1921610614	ARDGQDZTGQMZGU-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@H](C)C1CCCCC1	1924101209	QEUANJDVRSUQBY-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)CCNc1c(F)ccc(C)c1F	1926159740	OLACSMCMEWBUOC-UHFFFAOYSA-N	241.325	4.511	0	10	BJAE	
CCN[C@@H](CC(CC)CC)CC1CC(C)(C)C1	1926170828	KUNHEGDOQJCWLT-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccsc1Cl	1932478485	NWRZUXCSEBHWHW-VHSXEESVSA-N	243.803	4.782	0	10	BJAE	
CCc1ccsc1C(=O)[C@@H](CC)CC(C)C	1938201810	KYRSAQLZGHDMOH-LBPRGKRZSA-N	238.396	4.566	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1ccccc1C(C)C	1940615969	JIJPXHSVSBJKOC-CJNGLKHVSA-N	234.383	4.670	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CCC1(C)CC1	1940794785	DBDFUNWKDBYYQD-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](O)C(C)(C)C(C)(C)C	1940880599	BHDZGINAGXFEQK-STQMWFEESA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC(C)C)[C@@H](CC)C(C)C	1941271016	AXVAWOHYBRALTR-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(N)CCCCCC1CC1	1941595572	JBBBTSSKEMRJBY-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H](C)CCC(C)C	1942663664	UJOKWWYCZAQODB-AWEZNQCLSA-N	229.367	4.947	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1C[C@H](C)C[C@@H](C)C1	1943047005	OISMFDSMWXLVPP-BFHYXJOUSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C[C@@H](C)C1CC1	1944516372	BUECYEGLPVLQOX-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C1CCCCCC1	1944642318	VQYFNDSHWWQCIN-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)C(C)(C)C(C)C	1944669411	ZFOJZOVGNJQZNQ-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@@H]1C)C(C)(CC)CC	1944836994	PMNIDDWGNCGJJW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC1(NC[C@@H]2CCC[C@@H](CC)C2)CCC1	1945282964	QKIIXXZENWXGOZ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C(CCC)CCC)[C@@H]1CC1(C)C	1945822325	GUWIMOJNGFTWJH-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@]1(CNCCC)CC12CCCC2	1948082168	UJAKWVUQTJSYPB-MRXNPFEDSA-N	237.431	4.517	0	10	BJAE	
CCC[C@@H](C)C1(CNC(C)C)CC(C)(CC)C1	1948412414	FCRKOZODFWQDCZ-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@H]1CC1(C)C	1948987990	GFMZMPMONFZPEM-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](O)[C@H]1CCC2(CCCC2)C1	1949420804	IOCNUYJQXMSXDO-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CCCC(F)F)CC1	1950915191	YDXLGCWSIDFKEE-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@H](C)CC)C1(CC)CCC1	1951239462	REXKTWZZALWVHG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)CCC(C)=C(C)C	1958157316	ZLKRVGANYKLWHQ-UHFFFAOYSA-N	210.361	4.518	0	10	BJAE	
CC(C)=CCC[C@H]1CCC[C@H]1C(F)(F)F	1961406764	NZZKPKAQUUXIOZ-WDEREUQCSA-N	220.278	4.711	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@H]2C=CCCC2)cc1	1962889571	JBQWHEUYQGXYKR-PBHICJAKSA-N	243.394	4.569	0	10	BJAE	
Cc1cc([C@@H](C)NCCCCCC2CC2)c(C)o1	1966178467	OTKFGULRFBGPNW-CYBMUJFWSA-N	249.398	4.517	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCC[C@H]2C2CC2)CC1	1967846410	CTMISPIOEMSHCF-YZUHTNEWSA-N	249.442	4.514	0	10	BJAE	
CCc1ccccc1NC1CC2(C1)CC(C)(C)C2	1968360407	RCRJNWKKDVOKNM-UHFFFAOYSA-N	243.394	4.630	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CCC2(CCC2)C1	1971388763	FVGRAZJSFDDIOO-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1CC[C@H]2CC[C@H]1C2	1971816278	SWMYIZSMZZDHQS-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H]1CCCCC12CC2	1972725745	QTSLVCLWXSCCHA-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCCC(C)(C)CNCC(CC)(CC)CC	1973163177	BKWRFPCRHWKFNO-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCC[C@H](C)C(=O)[C@H]1CCC[C@@H](CC)CC1	1976342468	NZTJJZOEFWKDOV-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)[C@@H](C)CCC	1995260379	VPICHRXLZLCFMK-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCSc1cccc(NC[C@@H]2CC[C@@H](C)C2)c1	1996220316	WCDUSWXAHRUUNG-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@](C)(N)CC2CCCCC2)C1	1996250574	QFCPJXDPLNQUNQ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCSc1ccccc1N[C@H]1CCC[C@H]1C	1996572467	DPKFEIMXAUPQTJ-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1ccc2sccc2c1	1996617485	SHSHSFJXCWITBT-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CCc1cc(NCc2cc(C)cs2)ccc1C	1996649944	XGIUCIDMVDSZCZ-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H]1C=CCCC1	1998376640	FFMPGTSZRFAEBY-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(=O)c1ccc(C)c(-c2c(C)csc2C)c1	1998851744	NVUFWYBGHIZURI-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
Cc1sccc1[C@@H](N)C[C@@H]1CCC=CCCC1	1999978593	GIRBVBWHMBEKNY-HIFRSBDPSA-N	249.423	4.583	0	10	BJAE	
CCCN[C@@H](C(C)(C)CC)C1(CCC)CCC1	2000390948	SHZVVRJFSRXGAG-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CCC1CC1)CNC(C)(C)C	2000523989	UMQTZVYMXVKGCP-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C2CC(CC)C2)CC1	2002344014	NIAHVMKAAXLVMS-KNIAUWFNSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]([C@H]1CCCC(C)(C)C1)N(C)CC(C)(C)C	2002991792	WACKZKMMQHTRDX-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@H]1CC[C@H](C)CC1	2003102473	CPIDENIRPKXNBG-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCCC12CC2	2005535811	HWXNGAMUZLSOGL-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCC[C@@H](O)C1(C)CCC2(CC2)CC1	2007690498	KTNIXRAWVSKOEP-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C=C(C)C)C1(C)CCC(C)(C)CC1	2007698154	RUCIVSMAGKGMBG-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc2sncc2c1	2008089699	QZJQBQDMKNVRCK-NSHDSACASA-N	248.395	4.677	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCC(C)(C)CCC1=O	2009404148	KWDIXDRTDULHCY-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC=CCCC[C@@H](NC)C1(C)CCCCCC1	2009588195	IUXHYJKNAXTWBO-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCCC1(O)CC(C)(C)CC(C)(C)C1	2009592862	LUXCOXHNBWYNIP-VOTSOKGWSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@@](C)(O)C1CCC(CC)CC1	2009595678	XPWIRCDDRHIIML-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@]1(CC(C(C)C)C(C)C)CCCN1	2009767929	IHBUNBBFUDWIHZ-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CC(N(C)C[C@H](C)C(C)(C)C)C1	2009782286	YULLYCRWGBPNBG-NFOMZHRRSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC[C@]12CCC[C@H]1C2	2011002064	PEIZNKSNXFGOSU-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@](CC)(CC1CCCCC1)C(C)C	2012420801	FRUUDSSMZMISRL-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C[C@@H]1CC[C@@H](C)C1	2013307074	RWWPZWZPRFZXAY-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@@H](C)C(C)C	2015272582	QTVSITPJSZQSLW-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CC(C(C)C)C(C)C)C(C)(C)C(C)C	2015278048	LIJVXDVZBJDSPT-HNNXBMFYSA-N	241.463	4.575	0	10	BJAE	
CCC1(CC(=O)c2cccc(SC)c2)CCC1	2015600139	YDRQAFNAVDYOEI-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC1(CC(CC)(CC)CNCC)CCC1	2015641387	DMRBUJARTPILHF-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)C1(C)CCCCCCC1	2016418191	LXWRUYCJQPZHEG-CZUORRHYSA-N	236.399	4.742	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNC(C)(C)C)CC1(C)C	2017470006	WHGZPTXVNOKVOH-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H]1CCCC[C@H]1CC	2017472545	LHOZUAVWFCNXCY-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)CCCC2CC2)CC1	2017648055	JWCJCJPUAJVSFD-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@H](N)C2(C)CCCC2)CC1	2017723816	VMQQZUXDQFYSKT-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@]1(C)CCC(C)(C)C1	2017915309	ZCUUPLYXNPKTFW-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1C=CCCCCC1	2019121130	FMWCOKLVYSBUKU-MRXNPFEDSA-N	237.431	4.633	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)[C@@H]1CC[C@H](C)[C@H](C)C1	2019127958	WFNCPMAGNFKQLG-LJISPDSOSA-N	239.447	4.568	0	10	BJAE	
C[C@H](CC[C@H](N)CC1CCCCC1)C1CCC1	2019853252	RNRPPKYRXKDYHF-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(O)CCCCC[C@@H]1CC	2022455100	SRILFQUZPNCREH-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC1CC(CC)C1	2026169548	JEBNMTBZMVAMDV-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CCC[C@@H]1CC1(C)C)C(=O)c1ccccc1	2027840594	RWIGTBQJUMJNNO-UKRRQHHQSA-N	244.378	4.722	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3CC[C@@H]32)CC1	2027964353	MLZFENNVXRKAFN-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C=Cc1ccccc1)C(C)(CC)CC	2028570718	BKIQPTGXAFKYSQ-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
C(CCNC[C@H]1CCCC2(CC2)C1)CCC1CC1	2028626767	WSCHBLONGDWJIX-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
O[C@@]1(CC2CCC=CCC2)CCCC12CCCC2	2028871245	YRSARHVZKQYLBS-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
C1=C[C@H](N[C@@]23CCCC[C@H]2CCC3)CCCCC1	2031807167	CFXMPKGUEJLDQB-YESZJQIVSA-N	247.426	4.578	0	10	BJAE	
C(CCN[C@@H]1CC[C@@H]2CCC[C@@H]2C1)CCC1CC1	2033064540	PUEYNPGKOZEXQE-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)CC2CC(F)C2)cc1	2033339820	MZCQPNLKLGGFIS-XIKARTHZSA-N	248.341	4.521	0	10	BJAE	
CC1(NC[C@@H]2CC3CCC2CC3)CCCCCC1	2033416026	ZDNUCPBRGDSMIM-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@]2(N)CC[C@@H]3CCCC[C@H]32)CCCCC1	2034260557	VFIBNCZRIQDKNQ-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)C(C)(C)C1CCC1	2035586874	CJLXPTLPHTYBCC-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
N[C@@]1(CCCCCC2CC2)CCCCC12CCC2	2035921409	SSAFWBXSOPANHL-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C1CC2(CC2)C1	2036183224	WULCJPFOHCWMGS-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1ccc([C@@H]2C[C@H]2C)o1	2037169484	VRFLSMMGNXGBSP-MGPQQGTHSA-N	247.382	4.539	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@H]([C@H]2CCC3(CCCC3)C2)C1	2037686447	MBZBSKULAGLISH-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1cccc(F)c1C	2039446185	DPPWDLIIKRRYSO-JSGCOSHPSA-N	247.357	4.538	0	10	BJAE	
C[C@@H](NCCC1CC=CC1)C1CCC(C)(C)CC1	2040632874	JQFZBLKNMJAXRD-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1(CCC(C)(C)C2CC2)CC=CC1	2042095892	GMGRZPXHGQKCPB-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@H](C(=O)CC1CCCC1)c1ccccc1	2045674240	VIODRWRSMORNOU-KRWDZBQOSA-N	244.378	4.576	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](C[C@@H]1C=CCCC1)NC	2045722316	UPWXHAPAOUJBLP-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@@H]1C=CCCCC1	2045800492	VTBZVGINOUEWHD-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCC1CC(CNC2CC3(CCCCCC3)C2)C1	2046230779	XNKAAFJEGSKALQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc2ccn([C@@H]3CC[C@@H]4C[C@@H]4C3)c12	2047346157	MGHMWAPOIQGCAG-BZUAXINKSA-N	239.362	4.565	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1CCC12CCC2	2047934044	YKXQHKDSKUEBLC-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC2(CC2)C1)C1(C)CCCC1	2049855415	LZGNOWHUQXRUNW-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](CC(=O)c2cccc(C)c2)C1	2050455365	DSWWQTWCQBVZAU-LSDHHAIUSA-N	244.378	4.784	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)c1ccco1	2050522252	HAIYZDZTGJLDFM-HNNXBMFYSA-N	247.382	4.601	0	10	BJAE	
CCC(CC)C[C@@]1(CNC2CC2)CCCC12CC2	2053363844	HINPRAHCMSTVFU-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC1(CNC[C@@H]2CCCCC23CCC3)CCC1	2053434321	QKEMQKKFKVYXJS-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC1=C(C)[C@H](NC[C@@H](C)C2CCCCC2)CCC1	2055551818	JIFCUKPCOSKCBK-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@H](N[C@H](C)C2CCC(C(C)C)CC2)CC1	2055851600	MNVGFBXYRWHFDI-RDHHWEPZSA-N	249.442	4.536	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1CN[C@@H]1C=CCCCCC1	2056486277	ZOYWYGSNIRZOPH-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)C1(C)CCC2(CC2)CC1	2056554203	VMOLYKZQGAUQPS-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1([C@@H](N)C2=CCCCCC2)CCC2(CC2)CC1	2056557578	VYADFXVZCVEWOC-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2CC(C3CCC3)C2)C1	2056641223	XIYDFNWSTDRPMB-DXCHVLGVSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC=C1CCCCC1)c1ccccc1C	2056885929	FGCNNOHTQHYGDU-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCC1(CC)CC(N(C)C[C@H]2C=CCCCC2)C1	2058855943	CVUOKUNDSPZMHQ-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@]1(C)CC=CCC1	2059224988	IBFAWUVXKAPYQV-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](NC)C2=CC[C@H](C)CC2)CC1	2060920847	HLGIWXKXWNRLLV-OTRWWLKZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)[C@H](C)C1CCCC1	2060926698	SOKWTBPMCUOMSR-CPUCHLNUSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)[C@H](C)C2CCCCC2)CC1	2061113520	PKLGAXONNKJGRH-JKIFEVAISA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H]2CCCCC[C@@H]2N)CC1	2061149430	CRKKIMFUTAOWMP-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
C[C@H](C[C@@H](N)C1CC(=C2CCC2)C1)CC(C)(C)C	2061737247	PEQKVRGNGQXKMA-MLGOLLRUSA-N	249.442	4.667	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1CC(=C2CCC2)C1	2061739376	MUUAHAVMPULRIU-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](C(=O)CCC[C@H]1C[C@@H]1C)c1ccccc1	2062636751	DZVAAJMNDWTSQL-BPUTZDHNSA-N	244.378	4.576	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CC=CCC1	2063523427	BPVUFZQAIOPZBA-PNBKFKSVSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063542558	ZRRPBNWMIZOUPT-QMHWVQJVSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@@H]1CCCCCC1(C)C)C1CC2(CC2)C1	2064509345	WKOQTPLXPGHRIT-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CC1CCC([C@@H](N)CC23CCC(CC2)CC3)CC1	2065282777	VJLJTJOJGOWXJT-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NC[C@]1([C@@H]2C=CCCC2)CCC1(C)C	2068236949	RPWQAPZRHDSNKW-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)[C@H]1CCC1(C)C	2068241510	DEWPJLSXMBWOKB-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CN2CCC[C@]3(C)CCC[C@@H]23)CCC1	2069273722	PSCRXPUVKWMWTE-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C1(CC2CC2)CC1	2069511048	JRFKWKJIZFBFFS-LLCTXKFZSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@]1(C)CCNC[C@H]1C1CCCC1	2070402006	BFLFAEMIXHBWOK-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)c1cccc(F)c1	2070408844	QVPAAKAWURRDKH-KBPBESRZSA-N	249.373	4.611	0	10	BJAE	
C[C@H]1C[C@]1(C)CC1(N)CC2(CCC(C)(C)CC2)C1	2070975786	NCPOYJXIDJUUAU-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CCC3(CC3)C2)CC1	2072876212	XLHUZXZKVFNTNN-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
C[C@H](N[C@]1(C)CCC(C)(C)C1)[C@@]12CCCC[C@H]1C2	2073067572	IJNHBXNQRJFPNX-DIECFANBSA-N	249.442	4.514	0	10	BJAE	
C[C@H](c1ccccc1)N(C)C1CC(C(C)(C)C)C1	2074781628	VOUIUKKCTSROBA-IUDNXUCKSA-N	245.410	4.504	0	10	BJAE	
CCC1CCC(N(C)[C@H]2C=CCCCCC2)CC1	2074797849	VDMIEWWEMPSMDH-CGZBRXJRSA-N	249.442	4.776	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@@H]1CCCC12CCC2	2074885963	PUMNQEILWXYHOS-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CCCCc1ccc([C@@](C)(O)CCC(C)C)cc1	2077920573	MIZAMWNWNSRIHS-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@H]2CC[C@@H](C)C2)o1	2077973859	UMPYSLIPRCZZJA-OLZOCXBDSA-N	248.366	4.631	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@@]2(C)CC2(C)C)o1	2077986535	KYPOHEQFLTZSRU-MRXNPFEDSA-N	248.366	4.631	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](NC)c1cccc(C(C)C)c1	2079444792	VRTMWUGTOOZZPK-DJIMGWMZSA-N	245.410	4.507	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)c1ccccc1CC	2081207839	YKMQSJAMHIQCEJ-CABCVRRESA-N	247.426	4.726	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCC[C@H](CC)C1	2081946362	GPTUZOGDLSJTQC-WFASDCNBSA-N	249.373	4.769	0	10	BJAE	
CCCN[C@@H](c1cc(C)cc(C)c1C)[C@H](C)CC	2082919004	MOZCKDHPWQKRNE-CXAGYDPISA-N	247.426	4.699	0	10	BJAE	
CC1(C)CCC[C@H](CC2=C[C@H](N)CC(C)(C)C2)C1	2082987970	SOEDDYLFBMNSRT-HIFRSBDPSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@H]2C3)CC1	2086159683	QGDNQZBBOMMMNN-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C[C@@H]2CC23CC3)cc1	2086418724	PKJKKOFDNPPBKD-IUODEOHRSA-N	242.362	4.573	0	10	BJAE	
Cc1cc(NC[C@H]2C[C@H]3CCC[C@H](C3)C2)cs1	2213291948	INPMRFXJYPHMNZ-BTTYYORXSA-N	249.423	4.685	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)c1scc(C)c1C	2213658356	NRBDNYNLDUTVEU-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CCCC[C@](C)(CC[C@@H]1C[C@@H]1C)CNCCC	2215256487	VGSIIBMCYDODPU-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)CN(C)CC[C@H]1C[C@H]1CC	2215333623	BYWDBDPLLJIKOC-XHSDSOJGSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)C(C)(C)CCC	2216277111	DHWBFQXTBONDQS-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CCCC(F)F)C[C@@H](C)CCC	2216417734	OOPODRPTTYLZQF-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
C[C@@]1(CCCCCCCCC2CC2)CCCN1	2216888654	BCGBIPXBVDQKGN-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CC[C@H](CNC1CCC1)C[C@H](C)CC(C)(C)C	2217152047	AWHWHYYPBLZDJD-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218327359	INMVGERDTJYXQF-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](N[C@@H]2C=CCCC2)CC1	2220278196	YWZICCCXXHMGJO-ARFHVFGLSA-N	249.442	4.680	0	10	BJAE	
N[C@H](CCC1CC(C2CCC2)C1)C1CCCCC1	2220289290	VPYLIGZNYCUZGQ-QWFMPGPPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC1(N)CCC2(CCCCC2)CC1	2220849401	CKFOTSHSFVMOHW-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C1(C)CC2(CCC2)C1	2221005791	ZEKVHAUIOCXKDJ-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)C2(C3CC3)CCCC2)C1	2221014656	DAMVTAXABLRIAU-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@]1(C)CC=C(C)CC1	2221612863	ATQMRFDAVYDSLI-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CC1=CC[C@](C)(C(=O)c2cc(C)ccc2C)CC1	2221644960	VQBJRUHBNUZQTA-KRWDZBQOSA-N	242.362	4.623	0	10	BJAE	
Cc1cccc(C)c1C(=O)C1CCCCCCC1	2221920643	GOMFILLJJYRIRM-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(C=C2CCCCC2)C1	2222261084	RXJPEDXPXDPXND-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@@H]1CC[C@H](C)C1)N2	2224121248	POUXTUUOMKZNNK-JGGQBBKZSA-N	243.394	4.548	0	10	BJAE	
Cc1cc(NCC[C@@H]2CCC[C@H](C)C2)cs1	2242777670	QQTVHZSLLVEADM-AAEUAGOBSA-N	237.412	4.685	0	10	BJAE	
CCC[C@@H](CC)C(=O)CCC[C@@H]1CC1(C)C	2244767969	ROUWPCTVHMBAPV-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CC[C@@H]1CCC[C@H](C)C1	2246661468	AGLRYFPKWDPJJH-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CC(C)NCC[C@@H](C)CC[C@@H]1CCC[C@H](C)C1	2246686795	JEZNCVVHXGSVGY-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@H]2CCC[C@@H](C)C2)C1=O	2246692491	KVUPDVAUIBIUNN-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)CCCC2CC2)C1	2246695077	OCSVAIAUWMWOPY-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)CCC(C)(C)C)C1	2246727314	MSMKNCWOPUNIOE-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(C)CCC[C@]2(C)O)C1	2246731281	ZPCZWVVEXDMWBA-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@@H]1CCC12CCC2	2247386810	NGZSCQZVRKXARJ-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CCC(CC)(CCCCC[C@@H]1C[C@H]1C)CNC	2248848611	AEFMAKWVHNNJGT-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)[C@]1(C)C[C@H]1C	2250488672	PLYGPTFAXYIWTK-XUWVNRHRSA-N	240.431	4.636	0	10	BJAE	
C/C=C/CCCNCC[C@@H](C)CCCC(C)C	2250515769	CDCLSUWYAZDPRM-JFDDCEBESA-N	239.447	4.785	0	10	BJAE	
CC(C)=CCC[C@@H](N)C1CC(CC(C)(C)C)C1	2251537610	NDDCJIRMUJIFGK-YMAMQOFZSA-N	237.431	4.523	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@]1(O)CC(C)(C)CCC1(C)C	2251673984	LACNBPWYPKPIPN-WOSRLPQWSA-N	240.431	4.636	0	10	BJAE	
Fc1cccc(-c2ncc(C3CCCC3)s2)c1	2252745088	GCEPPQZWNNYLML-UHFFFAOYSA-N	247.338	4.607	0	10	BJAE	
CC1=CCCC[C@@]1(N)CC[C@@H]1CCCCC12CC2	2253837742	GTAPKCIMHPKDRR-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC[C@H]2CCCCC23CC3)C1	2253856008	PBAVCEXDEUGBER-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@H](CC[C@@H]2CCCCC23CC3)CN1	2253885569	CTXZNIIBLYTVGZ-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC1(NCC[C@H]2CCCCC23CC3)CCCCC1	2253891703	QWDBWVNLWDXUEE-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)C2CC(C3CC3)C2)C1	2253912019	AECVZXBTSNFPNF-VRLRAXNCSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1CC1CC2(CCCC2)C1	2254105063	FQXJDQSDMPYRRK-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]1[C@@H](N)CC1CC2(CCCC2)C1	2254121851	UQUNSBGNKBZCPF-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1CC2(CC(C)C2)C1	2254455347	SDZXUKASELDVGO-QIBWPRNXSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](C)(O)c1ccccc1	2254546421	XBSCYYVANPQHJL-VYDXJSESSA-N	246.394	4.501	0	10	BJAE	
CCc1ccccc1C(=O)CCCC[C@@H]1C[C@@H]1C	2254612411	WEXCEWDPHSVLIJ-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CN(CC1=CCCCC1)[C@H]1CCCC2(CCC2)C1	2255055321	BJYLYXLKCDDPPX-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CC[C@@H](C)[C@@H](C)C1	2256115695	QEAOARLEYWFSSG-MBNYWOFBSA-N	249.373	4.625	0	10	BJAE	
CC(C)c1ccc(N[C@H](C)[C@H]2CC23CCC3)cc1	2256452406	RTJGKLDTXJUJSU-CZUORRHYSA-N	243.394	4.801	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)(C)C)c1)[C@@H]1C[C@H]1C	2257885358	HQNPWLXRKAWVDS-WQVCFCJDSA-N	245.410	4.831	0	10	BJAE	
CN[C@H](C[C@]12CCC[C@H]1CC2)C1(C)CCCCC1	2260589224	WYAZEXVUDCSWLB-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@]12CCC[C@H]1CC2	2260599059	DCIOGMALVGISEQ-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1Nc1cccc(C2CCCC2)c1	2260717612	YWEWDZOTKZWZKR-CXAGYDPISA-N	243.394	4.945	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(C)CCC[C@]2(C)O)C1	2298259942	ZPCZWVVEXDMWBA-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@H](C)C(C)(C)C	2300687567	DHCWNHWCQANHPO-ZFWWWQNUSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CCN1CCCC(CC)(CC)C1	2300689170	VFMCPCDTFHXGAN-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H]1CC[C@H](CC)CC1	2300895832	BJLCRKGZDVLWSK-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC1CCCCCC1)C[C@H]1CCCCN1	2301238682	JEJLCLHXNNBGDR-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N(C)CC1(C)CCCCC1	2301696596	ANCMWIMYKPCDBR-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)[C@@H]1CCCC(C)(C)C1	2301699427	YGHXDLXDCZSRRT-RRFJBIMHSA-N	239.447	4.568	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC[C@H]2CCCC[C@H]2N)C1	2302513424	OTZZMIFTQQUHKM-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC1(N)CCCCCC1	2303473863	FDCJRNGRDFRZAX-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCCCCN(C)C[C@H]1CC[C@@H]1C(C)(C)C	2303479860	DVLDDLRWVWLKLM-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H]1CCC[C@H](C)[C@H]1C	2307752454	RPOAVNSVJCAVDY-XUWVNRHRSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@@]12CCCC[C@@H]1C2	2311126395	DJJGBTVQTRVAMP-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2C[C@H]2C2CCCC2)C1	2311896417	MNIJYTWUHRSFJM-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@@]12CCCC[C@@H]1CC2	2313320234	OCDNTBBTAMXGPZ-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C[C@@]12CCCC[C@@H]1CC2	2313333926	RYQNTVJUSDNTQZ-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CCC(=O)C(CC2CC2)CC2CC2)C1	2313626105	FADKVJFASADSTN-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
N[C@@]1(CC2CCCCCC2)CCC2(CCCC2)C1	2316887476	YIIJXESYCDSHLM-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1CNCCCC1=CCCCC1	2318523287	DQEVSIUTPBZEOG-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N(CCCC2=CCCCC2)C1	2318582285	BCZQDFNAUMUHOJ-HZPDHXFCSA-N	249.442	4.778	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@H]1CCCC12CC2	2318588417	ZHRRRKSOGWJZAO-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)c1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H]1C3	2318849789	WIOUHCWUTJYXCB-JQWIXIFHSA-N	239.362	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@@H]2C[C@@H]21)C1CCCCCC1	2319328592	HHFVCVBQPOPHFW-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CCCC1([C@H](N)CC[C@@H]2CC[C@H]2C2CC2)CCC1	2319701545	YZSDVRGFLUXCAI-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC=C[C@](N)(C[C@@H]2CC[C@@H]2C(C)(C)C)C1	2320250900	VJRKLRRIVYPGAV-ZQIUZPCESA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCC(C)(C)[C@@H](N)C2)CC1	2320336494	ZTTVDQJTGUBEGR-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](CC[C@@H](O)c2ccccc2)CC1	2320400975	DRTIEFSISNDGKY-NVXWUHKLSA-N	244.378	4.637	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)c2cccc(F)c2)CC1	2320415854	DZZVWUQWQLKRFW-ZDUSSCGKSA-N	246.325	4.535	0	10	BJAE	
CCc1cc(F)cc(NCC2(C)CC(C)(C)C2)c1	2321081941	TUBMDEQXYKBVJQ-UHFFFAOYSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CC[C@@H](CCC2(N)CC3(C2)CC3(C)C)C1	2321638917	FYZSWTOTGRRNKR-IGEOTXOUSA-N	249.442	4.501	0	10	BJAE	
CCCCCCc1ccc([C@H](C)[C@@H](C)CN)cc1	2327903581	RTMZPDUNGBJDSA-LSDHHAIUSA-N	247.426	4.508	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)c1ccc(C)cc1	2328274783	RJBLDEKOLBGNDF-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
c1cc2c(cc1NC1CCCCCCC1)CCC2	20006345	WXDBIFBZWXEVNH-UHFFFAOYSA-N	243.394	4.700	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NC2CCCCC2)cc1	20545112	RPCSOZMPYBRFDR-CQSZACIVSA-N	245.410	4.793	0	10	BJAE	
CC(C)(C)c1ccccc1NCc1cccs1	35022602	GQPHZVAAKUUVGS-UHFFFAOYSA-N	245.391	4.658	0	10	BJAE	
CC[C@@H](N[C@H](c1ccccc1)C(C)(C)C)C(C)C	37292280	IOMRWPUSFFBOIF-HZPDHXFCSA-N	247.426	4.798	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)c1cc(C)sc1C	37315021	JXZLVJNQXXFBPX-CMPLNLGQSA-N	239.428	4.594	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccccc2Cl)C1	70562222	DKDVJJKODQPRKR-RYUDHWBXSA-N	237.774	4.721	0	10	BJAE	
C[C@@H](CC(=O)c1ccc(Cl)s1)C(C)(C)C	82628091	JUONABILMFQEPP-QMMMGPOBSA-N	244.787	4.657	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)c2ccccc2C)C1	83639693	OHDDGNFIHLHQHN-XHSDSOJGSA-N	245.410	4.614	0	10	BJAE	
CC(C)CCC[C@H](C)NC1C[C@@H](C)C[C@@H](C)C1	84463024	QWFUAWKFWUBTJK-QGPPMGRFSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@@]1(N)CCC[C@@H](C(C)C)CC1	86940413	TWEQPEHZXMYKQX-HZPDHXFCSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H]1CC[C@H](CC)C1	88019204	JZLOAOHNLKJAEW-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
CCN[C@@H](CC)c1cc2cc(C(C)C)ccc2o1	88074711	GBTNAPKMHLGIFV-AWEZNQCLSA-N	245.366	4.617	0	10	BJAE	
CCCC[C@H](N)c1ccc(C(C)(C)CC)cc1	90482910	RPMUFXKDVIVGFH-HNNXBMFYSA-N	233.399	4.564	0	10	BJAE	
CCC[C@@H](N[C@H](C)c1ccoc1)c1cccs1	94869171	BUMCGLWFWOPTGC-DGCLKSJQSA-N	249.379	4.533	0	10	BJAE	
C1CCCC[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2CCC1	100065881	XMYHOVWXGDEUKH-ZQDZILKHSA-N	206.373	4.783	0	10	BJAE	
CCCC(=O)C[C@@H](C)Cc1ccc(CCC)cc1	107477246	MXYBCKMCCCLJIP-AWEZNQCLSA-N	246.394	4.577	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@@H]2C[C@@H]2C)c(C(C)C)c1	109787850	ZBVGOEJHBDUNCZ-JCURWCKSSA-N	246.394	4.623	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCCC[C@@H]2C)c(C)c1	109899291	VXVMQZOCPVKJEZ-WFASDCNBSA-N	231.383	4.602	0	10	BJAE	
CC(C)CCCCN[C@H]1CCCC(C)(C)CC1	134286118	OUOGRTGJYOQOBB-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C)c(NCCC2=CCCCC2)c1	140262795	FOCWWENNRXGKKJ-UHFFFAOYSA-N	229.367	4.606	0	10	BJAE	
c1ccc2c(OC3CCCCCC3)cccc2c1	149502515	MGXWRPOFDHLFLU-UHFFFAOYSA-N	240.346	4.941	0	10	BJAE	
CCCCCC[C@H](CCC1CCCC1)NCC	158481272	VRSWLKUTIWDEFK-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCCCCC[C@](C)(CNC(C)C)C(C)C	159452119	CILIGJWMMXWUHF-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)C(=O)Cc1ccc(C(C)(C)C)cc1	164909925	QZDALRICVIHBGI-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CCCN[C@H](CC(C)C)CC1CCCCCC1	168002137	MRFYKYSLGXNLTK-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCCN[C@H](c1ccccc1)C1CCCC1	204693351	AOQYLBTZKWZCTR-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CCCC(CCC)c1n[nH]c(C2CCCCC2)n1	211962181	SIZZUMAHRSGVRR-UHFFFAOYSA-N	249.402	4.536	0	10	BJAE	
CCC[C@H](NCC)[C@H](C)c1ccc(C(C)C)cc1	212841674	ODGHGCKKILQUPO-PBHICJAKSA-N	247.426	4.692	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCCC[C@@H]2C(C)C)c1	214427244	SEKVLCYWHNQXHW-HZPDHXFCSA-N	245.410	4.930	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1c(C)cccc1C	215913898	CGGWRSUDRGMEOA-HOTGVXAUSA-N	248.410	4.943	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCC[C@@H](C)CC1	226496741	FVMZMKXUFLMJOP-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccsc1	227279531	GADBPGOMIRAUBP-XBFCOCLRSA-N	237.412	4.621	0	10	BJAE	
CC(C)=CCN[C@@H]1CCC[C@H](C(C)(C)C)CC1	228873311	WSAGRHMTXMGVKY-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC(CC)CC)c1ccccc1CC	229162284	UKUPCCKEXHJRLQ-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@@H]1CCC[C@@H](CC)C1	229481933	LJVJPPCDOOVUIZ-BMFZPTHFSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)c2[nH]cc([C@H]3CC[C@H](C)C3)c2c1	235686486	BHVSETUSDPPFKA-GWCFXTLKSA-N	227.351	4.688	0	10	BJAE	
C[C@H]1C[C@@H](C2CCCCC2)c2ccccc2N1	235741651	DUXSHVRDBQRIQJ-WFASDCNBSA-N	229.367	4.555	0	10	BJAE	
Cc1nc(-c2ccc(SC(C)C)cc2)cs1	259120868	CACPSNWUEMBQEB-UHFFFAOYSA-N	249.404	4.619	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](C)[C@@H]1C[C@H]2C=C[C@H]1C2	300691413	UHHKWUKEHKCAFO-XAJHFOFHSA-N	249.442	4.536	0	10	BJAE	
CCC[C@H](CCCCC1CCCC1)NCC	300730463	FLXAWAKQPSXWTL-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(O)CCCC(C)(C)C	302277293	INHAUFBSUROMOA-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC)[C@@H](CCCC(C)(C)C)C1	305918302	LBFJMRIJZVRLIR-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCc1cccc([C@@](C)(O)CCC(C)(C)C)c1	306048694	OVCBERYNMNKKSJ-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
C[C@@H](N)c1ccc(C2=CCCCCC2)cc1Cl	306116624	ZXODMNVDADRKHC-LLVKDONJSA-N	249.785	4.707	0	10	BJAE	
C[C@H](SCCCF)c1ccc(Cl)s1	308317043	WDOIRETWJJHCKC-ZETCQYMHSA-N	238.780	4.555	0	10	BJAE	
CCC/C=C\[C@H](CCC)Nc1ccccc1	309055818	JRZFBQIKQDTVAO-JOHMGYAOSA-N	217.356	4.624	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2CCCCC2(C)C)CCC1	310179547	WAUIANDVIUQKRF-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)N[C@H]1CCCCC12CCCC2	310322064	ZBNOQHAZVWUHEV-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H]1NCC12CCCCCC2	311048920	HYEYCCULYWTMSP-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@]1(CNC(C)C)CC=CCC1	317587214	NZYZOQRLEJRQGL-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CC2(CC)CCC2)C1	382406855	ABXVYOUUUZMMCO-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCC[C@H](C2CC2)C1	382682795	XRPQCCVOCXVLNN-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@H](C)[C@@H](C)CNC(C)C	383220453	RMWPZRVKUKKZAL-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCC1(C[C@@H](N)CCC2CCCCC2)CCC1	383909548	OWRIFNXEZPQRQI-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)CC1CCCCC1	384812654	AHOSKGFDXWGSJG-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)NCc1ccccc1C1=CCCCCC1	385082652	XHKAMDNLYDMUIN-UHFFFAOYSA-N	243.394	4.532	0	10	BJAE	
Cc1cc(N)ccc1SCCC1=CCCCC1	385193176	OUOGASCXRKPRDU-UHFFFAOYSA-N	247.407	4.560	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H]2CCCC23CCCC3)C1	385729964	KKCDUEARNASRIW-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](NCCC2CCCCCC2)C1	394522273	BNTHAFAHWIUIBD-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCC1(C)CCCCC1	394593273	MODYAJLWNQWTAZ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CCC2=CCCCC2)C1	395329408	QYZBYZFQBBZLFT-DOTOQJQBSA-N	249.442	4.812	0	10	BJAE	
CCc1c(C(F)F)sc2cccc(C)c12	396257265	WHVLBUPEFDLYLL-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1c(F)sc2ccc(C(F)(F)F)cc12	396294534	IBTTUBVLICFALE-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)c1cccc(C(C)C)c1	688950637	MOJUMSUQVLJNPC-PBHICJAKSA-N	247.426	4.882	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC[C@@H](C)SC2)c1	689396564	ALBUAPDKIJVXJM-DOMZBBRYSA-N	249.423	4.506	0	10	BJAE	
C[C@H]1CCCC[C@H]1CNc1cccc(C2CC2)c1	690091491	BPTNPZJCBJUTAR-BBRMVZONSA-N	243.394	4.802	0	10	BJAE	
CC(C)SCCNc1ccc(C2CCC2)cc1	690161546	XUMBJCYHBSNTEL-UHFFFAOYSA-N	249.423	4.508	0	10	BJAE	
CCc1ccc([C@H](C)N[C@H](C)C(C)(C)CC)cc1	695098638	MGQYLFOGWQSNQB-UONOGXRCSA-N	247.426	4.724	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@H]1CCCC2(CC2)C1	695955703	JWTFDYKSKWLDSF-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](N[C@@H]1C=CCC1)c1ccccc1	698235904	DRHPPKYGYXXQIN-SJORKVTESA-N	243.394	4.616	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	701189939	AIRNSNGLIKNCFV-DVOMOZLQSA-N	239.447	4.602	0	10	BJAE	
C/C=C\[C@@H](NCCC)C1(CC(C)C)CCCC1	704654767	UTBBKXIRFINLKE-HMZQOCAUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)CC1CCCC1	704914831	PKIOMFHFKMFUMT-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)C1C[C@H](C)C[C@@H](C)C1	709259509	IQANODCBLSKUQH-UPJWGTAASA-N	238.415	4.700	0	10	BJAE	
CCSc1cccc(NC[C@@H](C)C(C)C)c1	709756075	LMMHSCLNLCVYID-GFCCVEGCSA-N	237.412	4.503	0	10	BJAE	
CC[C@@H](NC[C@@H]1CCCC2(CC2)C1)C1CCCC1	709974815	JBQSWUJMRULDGR-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C[C@H](O)CCCC(C)C)C(C)(C)C	711178082	LHDZSVYZBWGZQF-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CC(C)(C)CC[C@@H]1C	713045389	RYDLVGLAOPXAEL-ZQDZILKHSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CC(C)(C)CC)NC	713240722	DHDLOLYDYMPQAJ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC(C)(C)C(C)C)C1	713326359	VNZUKVKZMHYZPX-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)[C@@H](CC)CC(C)C	713680876	CTNYJYCIHIQEGL-VNEPOGMYSA-N	237.431	4.559	0	10	BJAE	
C=C/C=C/CCc1ccccc1C1CCC1	713755309	XSSRNECJJUVRPD-ONEGZZNKSA-N	212.336	4.629	0	10	BJAE	
CC(C)=C(C)CC[C@H](CO)C1CCCCCC1	718567830	SVGAUXSDCVHCFG-MRXNPFEDSA-N	238.415	4.702	0	10	BJAE	
CC1(C)CCCCC[C@H]1Nc1ccc(F)cc1	719277501	VIFVCNSRHCKFKJ-CQSZACIVSA-N	235.346	4.597	0	10	BJAE	
C[C@H](CCC1=CCCC1)COCc1ccccc1	719593948	WFTJFTJQTXGHLL-OAHLLOKOSA-N	244.378	4.730	0	10	BJAE	
C[C@H](C[C@@H](O)CC1CC(C)(C)C1)CC(C)(C)C	723590599	WKELELVXEMKPNJ-TZMCWYRMSA-N	240.431	4.636	0	10	BJAE	
CNc1ccc(-c2ccc(C)c3ccccc23)cc1	723895797	ZPMTZEXREWKIES-UHFFFAOYSA-N	247.341	4.857	0	10	BJAE	
CCC[C@H](N[C@H](C1CCCC1)C1CC1)C1CCC1	723959756	LICASQPMQDDJTJ-DLBZAZTESA-N	249.442	4.514	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]2C2CC2)cc(C2CCC2)c1	1621360581	HVIKHJYNJWTITM-IAGOWNOFSA-N	241.378	4.555	0	10	BJAE	
C=C/C=C\CCS[C@H](C)c1ccccc1F	1656246839	SHAWFPZBMNDBOO-QMAVJUDZSA-N	236.355	4.752	0	10	BJAE	
CC[C@@H](C)c1cccc(NCc2ccccc2)c1	1657705418	DRNWYEPLBAZNEF-CQSZACIVSA-N	239.362	4.812	0	10	BJAE	
CC(C)[C@@H](C)N[C@H]1CCCCC12CCCCC2	1875414877	RWHLOKYXNDMGKO-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CC(C)C(=CC1CCC(C)(C)CC1)CNC1CC1	1879517906	XOQHTFHVAGGLSZ-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC=CCCCC[C@H]1CCC(F)(F)C1	1885359241	QWRCMCSSWXUDKM-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
CCC(CC)CC[C@H](O)C1(C)CCCCC1	1900694208	WSBSAGGEKIHFTM-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CCC=C(C)CC)C(C)(C)C	1900878313	OIWQQWUUZYLNPK-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)c1ccc2cccc(Cl)c2n1	1901882132	BHGLHUBGXIQEQG-UHFFFAOYSA-N	233.742	4.792	0	10	BJAE	
CCC(O)(CC)CCC[C@@H]1CCC(C)(C)C1	1903416939	FFGOLFKSFBTUFA-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCC[C@H](C)C1	1905303243	JHPJKTVAMYSXRQ-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H](CC)CCC	1905430987	GDUZTWMFKDXZTD-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@@H]1CCCC(C)(C)C1	1911268657	OBZRJHUPBRZHDK-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@]1(CNCC(C)C)CC[C@H](C)C1	1912070384	SSEKKQITWHZBHK-IRXDYDNUSA-N	249.442	4.561	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CCC=Cc1ccccc1	1912120261	OCYRQJNULLIVJW-NVXWUHKLSA-N	245.410	4.634	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@H](CC)CC(C)C	1912134103	CTNYJYCIHIQEGL-HZPDHXFCSA-N	237.431	4.559	0	10	BJAE	
CC1CCC(CC2(CN)CC3(CCCC3)C2)CC1	1912584857	MDVDYPSFIZDQBC-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@](O)(CC(C)C)c1ccccc1	1920031315	UDNZBEHJKYUWJI-ZMSDIMECSA-N	248.410	4.603	0	10	BJAE	
CCC1(C[C@H](NC)[C@@H]2CCCC23CCC3)CCC1	1921595648	QKSIDNNMBUXXNW-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@@H](C)C1CCCCC1	1924086708	ORVCQZALAWOBJX-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H]2C=CCCCC2)c(C)c1	1925765130	KTMKYSMFOPRVHP-OAHLLOKOSA-N	242.362	4.623	0	10	BJAE	
CCCNCC1(C[C@H]2C=CCCCC2)CCCC1	1925797126	BXPYJLDPSYULLL-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCOc1cc(NCCC(CC)CC)ccc1C	1926209840	OKRPDRGVMYSJKW-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CC[C@H](CC[C@@H]1C=CCC1)CC(F)(F)F	1932591952	FBHJJLDMIRXBLJ-GHMZBOCLSA-N	220.278	4.711	0	10	BJAE	
CC[C@@H](C)C(=O)c1cc2sc(C)cc2s1	1934992383	CWOIFVMCFBKXDT-SSDOTTSWSA-N	238.377	4.500	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)c1cc(C)cs1	1939444552	QOHSWKLPWVUYJG-GXTWGEPZSA-N	239.428	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](O)C1CCCCCCC1	1940168345	YUTXLLKTXJMRDU-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC1(C)CCCCC1)NCC	1940417554	WWBGGRRJYICWPU-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC(C)(CCC(=O)CC[C@@H]1CC1(C)C)C1CC1	1940852497	GFFPPFQJQANZBK-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](NCC(C)(CC)CC)C1CCCC1	1941359025	XLCGOJOEJYVFBG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCCC[C@]1(CN)CCCCCC1CC1	1941581553	MCYUWSNKEYNHJV-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)C1CCCCC1	1941587495	SXJQSUBCWJXIKE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](C)(CCCCCC1CC1)CNC1CC1	1941600054	OMAVTUGZGJCPFZ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@]1(CNC(C)C)CCCC1(C)C	1944474899	FUANAUULDOYZLR-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)C(C)(C)C1CCCC1	1944618759	QHTPMYVJPDGFOU-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C(C)C)C(C)(C)C1CCCCC1	1944630302	CHBQGOQDEKUWON-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H]1CCC(C)(C)C1	1945592027	LMALEYWZNKQZDU-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)c1cccc2sccc12)C(C)(C)C	1945948392	WOGYJIUEWLFOGT-JTQLQIEISA-N	246.375	4.766	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCCCCCC1(F)F	1947267631	UHVKJGIZOHNWOO-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CC1CCC=CCC1	1949075593	KNEVZANDWZHVHA-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC1CCC=CCC1	1949080983	BXVVALJLJSQEFW-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@@H]1CC[C@H](C)C1	1949502035	RPCTXFKOBZIPQP-SWLSCSKDSA-N	232.367	4.686	0	10	BJAE	
C[C@H](CC[C@H](N)CC1CCCC1)CC(C)(C)C	1949871656	YITLMGZNUNNUFS-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CCCNC[C@@]1(CCC)CCCC(C)(C)CC1	1950919461	PBHQELAISIXHIH-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC=CC[C@@H](CCC)c1c(C)cccc1O	1951309148	VQMLVXFUZMJQPD-CQSZACIVSA-N	232.367	4.941	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@@H]2C=CCCC2)cc1	1962889572	JBQWHEUYQGXYKR-RHSMWYFYSA-N	243.394	4.569	0	10	BJAE	
CC1(C)CC[C@H](N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)C1	1967876861	ONSFACOXTBOMCC-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1OCC1CC2(C1)CC(C)(C)C2	1968270299	JWCRSFGYVDKDHK-UHFFFAOYSA-N	244.378	4.590	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2CC3(CCCCC3)C2)[C@@H]1C	1968346974	UPUVQYMXBPGISC-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CCCc1ccc(CNCC(C)(C)CCC)cc1	1973171858	PEEGCJFLPILASI-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
Cc1cc(C(=O)CC2(C)CCCC2)c(C)s1	1978416407	IZHXNWIJOQYZID-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCC[C@@](C)(CCC=C(C)C)CNC(C)C	1978649100	SSCBLUZDUDZXHL-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@@H]1CCCCCCC[C@H]1CCC	1980351518	OMQZEOCKZNIBSC-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
FC1(F)CC[C@@H](CCC2CC(=C3CC3)C2)C1	1985536814	MVSSRNGNBRIHCL-SNVBAGLBSA-N	226.310	4.702	0	10	BJAE	
CCCC1(CC(=O)c2cscc2C)CCC1	1988435552	YTBWRFBAKUSKSZ-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCC1(C)CC1	1995259137	KOHRGRDZHJMREW-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](NCC1CCCCC1)C1(C)CCCCC1	1995989685	AIFQVDJVURTXPE-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](CC1(CC)CCC1)NCC	1996615958	KBHGHAXPPHMJNZ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@@]1(O)CCCC2(CCCCC2)C1	1996644722	ABTSSIUIYVJJEM-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@@H]1CCCC(C)(C)C1	2000052690	XJRCVZAKDCZXKA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C1CC(C(C)(C)C)C1	2002327919	LOPOFIZYSCRZJB-WLIAPVHPSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC(C)C)CCCC(C)(C)C1	2002979360	QHMMQRBPDHCPGE-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C[C@@H]1CCC2(CC2)C1	2003276697	BGJGWTCZAZUDTF-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CCC)NC1CCC(C)(F)CC1	2005949315	VEJHUUVXCQNNDO-NFOMZHRRSA-N	243.410	4.606	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](C[C@@H]2CCC=CCCC2)C1	2006668694	GFZKTKAXKPIBPW-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H]2C=CCCCC2)CC1	2009409455	BKMWFQVQNSNEIL-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(N)CCC1(C)CC1	2009537144	VSIKRGRNFQBCHY-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCCC1CC(NCC(CCC)CCC)C1	2009792466	ZPQXWCJQWPEDGW-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@](C)(O)C1=CC[C@H](CC)CC1	2010713039	LDCKYCZDCWMWBV-GOEBONIOSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@H](N)CC1=CC[C@H](C(C)(C)C)CC1	2010768342	ZEWXNALYIZSDBY-GJZGRUSLSA-N	237.431	4.523	0	10	BJAE	
CCN[C@H](CC)CC1=CC[C@H](C(C)(C)C)CC1	2010768501	ZPYCVCLLHXMWTC-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)C[C@@H]1CCC=CCCC1	2014845409	FHYDHVMNVCTXHL-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC(C)C(CC1(O)CCC(C)(C)CC1)C(C)C	2015285796	ZOGOXENMDHXFKF-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H](C)CC(C)(C)[C@H]1CC[C@@H](C)CC1=O	2015380777	WDCOHHDLXSNQKG-RDBSUJKOSA-N	238.415	4.700	0	10	BJAE	
Cc1ccc(OCC(C(C)C)C(C)C)cc1C	2015383387	LQDJIVWFRKYCTD-UHFFFAOYSA-N	234.383	4.610	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC(C(C)C)C(C)C)C1	2015385405	DNOYOYIPNNLXOQ-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@@H](C)CC1(N)CCC2(CCCC2)CC1	2015397643	IQJKAFTUPNZDLX-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](N)[C@H](C)C2CCCC2)CCC1	2015640541	TULQLEPFNFQOQT-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H]1CCC[C@H](C)CC1	2017474340	CIQATLYXIOBPPR-NUEKZKHPSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C[C@](C)(N)CC2CCC2)CC1	2017731396	QYFWOIFTCFDLMQ-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCN(C)[C@H]1CCC[C@H](C)C1	2019344034	IKDIKPHQUSAZKX-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
CCCCN(C1CCCCC1)[C@H]1CC[C@H](C)C1	2020536011	QCGBFOBJOZVTPN-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCCCN(CCC(C)=C(C)C)C1CCCC1	2020536098	RMIOOSRPAITNTD-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H](C)CCC(C)C	2023325588	UPVZRXRIVNUXOO-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H]1CC(C)(C)C1(C)C	2025054065	KONYGQACDCUHPS-KGLIPLIRSA-N	237.431	4.536	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CC1(C)CC1)NCC	2026061104	NQIYZNFPYXFRIW-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H]1CCNc2ccccc21	2027835288	AESLMUFCOGDCDI-UONOGXRCSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)C(C)(C)C1CC1	2028101593	PUHURKJUGALMEY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1CC(CC(=O)c2ccccc2C2CCC2)C1	2029073954	HQLJJYRXRQOANM-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC(C)c1ccc(C=Cc2cccc(N)c2)cc1	2031663135	QPRGGOUOJCKCDQ-UHFFFAOYSA-N	237.346	4.563	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc(C2CC2)cc1	2035422984	LYNZHWIALOGYRW-DOTOQJQBSA-N	243.394	4.945	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C2=CCCCCCC2)C1	2037074283	JAEIKRBDYQKHAZ-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)[C@H]1CCC2(CCCC2)C1	2037580245	KGBXLGJPIKQISD-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc([C@@H](O)C2(CC)CCC2)cc1	2039727416	WBQONJXLSZLOFH-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(N)C23CCC(CC2)C3)C1	2039871690	GMQRDRUKBOLWHI-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NC[C@@H]1C=CCCCC1	2041833694	JAMDFEFINWKJIH-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccccc1C1CC1	2042273144	OFQBVRBOHQYRHE-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)[C@H]2CCCC(C)(C)C2)C1	2045556727	CSNXNJMQSMCAFJ-AEGPPILISA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(C[C@H]2CC23CCCCC3)C1	2047013265	UNEDBUQESNEFJF-PMPSAXMXSA-N	249.442	4.502	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)C[C@H]1CC12CCCCC2	2047057520	BHYNSCSPPOHMSB-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)CC1CCC2(CC1)CC2	2049859526	UAAFTTSSTBXYBW-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1C2CCCC1CCC2	2050043557	VAKUVRFGPSKFTA-HHPWFTGOSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2CCC3(CC3)C2)CC1	2051597509	YAQJEHMCJUAZNG-UQPPLGOBSA-N	249.442	4.645	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@H]3C[C@H]32)CCCCCCC1	2052504048	BQTDNMUOPKAYDX-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C1(C)CCC2(CC2)CC1	2056551032	AZMCBZFZZHRITA-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H]1CCCC(C)(C)C1	2056873511	OBMIRCHMUKZEBX-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)C(C)(C)C1CCC1	2056876775	UCYHAYRDEUKRSV-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CCC([C@@H](N)C=C2CCCC2)CC1	2056877953	FSJCBFMEHMJXLP-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
CC=CCCC[C@H](NC)c1cc(C)c(C)cc1C	2059258925	KPWNKYDESMAUDP-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
C[C@H]1CC=C(C2(N)CC(C)(C)CC(C)(C)C2)CC1	2060912571	GAECIVFPBCBONP-ZDUSSCGKSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CC2CCCCC2)NC)CC1	2061081311	NQXGCNUZDOWDDK-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2CC[C@@]12CCC[C@@H]1C2	2061623318	QSJIOXQUDTYUBU-JJRVBVJISA-N	241.378	4.556	0	10	BJAE	
CCCN[C@H](C1CC(=C2CC2)C1)[C@@H](C)[C@@H](C)CC	2061650772	OIQJXXAQIBODPB-DCGLDWPTSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCCCC1CC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063404113	BEBHNEFKZKFFIY-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C12CCCC1CCC2	2063821667	JUAVQWZYXIABHG-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CC[C@]2(C)C[C@@H]12	2065656050	DMYRFSYFEXIIMC-YSVLISHTSA-N	243.394	4.585	0	10	BJAE	
CC1(C)C[C@H]1C1(N)CCC2(CCCCCC2)CC1	2065892788	QDFVFYUBKHEMLR-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@H]1CC12CCCCC2	2070413862	OQFAZXHRXUQWJC-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](CNc2cc(C)ccc2C)CC1	2072794247	RVLAPDLVRHOQPT-WKILWMFISA-N	245.410	4.932	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)c2ccccc2)CC1	2072797988	FFVSORDSBYJGKD-ZOBUZTSGSA-N	245.410	4.683	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2=C[C@H](N)C[C@H](C)C2)CC1	2072816467	VSTYBQDAJXSUQU-KCYZZUKISA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@]23CCCC[C@@H]2C3)CC1	2074023384	CDQSJVYTWGMMPN-WCXIOVBPSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@@]1(C)C=CCCC1	2074642767	YDDWEUUDZYRUGG-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)[C@@H]1CC12CCC2	2074647554	YWWWOXKZJSAVFZ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](c1ccccc1)N1CCCC12CCCCC2	2074788896	BIIMCYVGTRSGOS-HNNXBMFYSA-N	243.394	4.546	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CC=C(C(C)(C)C)CC2)C1	2074892824	PTPIPTRNSVBTAD-GDBMZVCRSA-N	249.442	4.633	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CCC3(CC3)C2)CC1	2078349048	XDPAESZKZSEDGW-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@H]2C2CCCCC2)CC=CC1	2079866564	RRGBXDFTPXPPHI-GJZGRUSLSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@@H](C)C1CCCCC1	2080249809	QQRVHBJSFPWQAC-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCCCCCN(C)Cc1cc(C)cc(C)c1C	2082950682	AXEIGSLNNHOYHD-UHFFFAOYSA-N	247.426	4.624	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCC)c1ccccc1	2086048891	ZDOTUBGZKWFDNB-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
CCCCC[C@H](N)CCCCCCC1CC1	2210524447	CCGCEHZERMQPIR-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CCCC[C@H](N)CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213297335	OKPCPDQLHWMLJX-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@]1(CCCCCCC2CC2)CCCN1	2213574564	VMOLDRWNYWEXRS-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)N1CCCCCCC1CC1	2213577941	HIJOOJOIUBSLGB-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
Cc1csc(C(=O)C[C@H]2CC23CCCC3)c1C	2213648189	NTUIRWQLUJBPTC-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)c1scc(C)c1C	2213660571	IQROSRZOOHYGJQ-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CCC[C@](O)(CCCCC1CC1)C1CCCC1	2214567361	BUWREZRMVXVENH-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@H](C)C(C)(C)C	2214578888	KAJDMVCSGGVNSB-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CC[C@@H]1C[C@@H]1C)CNCC	2215242708	DOJVCITXSPVKBF-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)C(C)(C)C(C)(C)C)C1	2215386703	MNYPVMYYVGWIPW-GFCCVEGCSA-N	239.447	4.602	0	10	BJAE	
CN(CC(C)(C)C)[C@@H]1CCC[C@H](C(C)(C)C)C1	2216254301	YRUJBWTUGHAIOV-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCN[C@H](CCCC(F)F)CCC(C)=C(C)C	2216406076	MKOGVSDGSRRNRJ-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@@H]1CCC[C@@H]1C	2217125781	RIKPWDLYJIKEHC-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@](N)(CC2C[C@H]3CCC[C@H](C2)C3)C1	2218355865	HEEZKACWSMFWAR-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1CCC2(CCC2)C1	2218730028	BZLPBXWVRXBGJS-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC(CC)[C@@]1(CNC2CCC2)CC=CC[C@H]1C	2223597454	RBTZXUKJOPLEQA-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2(C)CC(C)C2)CC1	2246519717	OQOYJWNPMXYULY-GYTBAZASSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCC[C@@H](O)C(C)(C)C)C1	2246681419	VPIRVODQUFVIKJ-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCCC[C@](N)(CC)c1cc2ccccc2s1	2246946915	SGXIQVWGLXTYFP-OAHLLOKOSA-N	247.407	4.656	0	10	BJAE	
CC1(C(=O)C[C@H]2CCC2(C)C)CCCCCC1	2247447865	OVYKZPANUDHTAD-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CCCCCCC1CC1	2250371750	NDFVBHWJZGKKJY-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@](O)(CC)CC1CC(CC(C)(C)C)C1	2251492284	KOJBFBJDSNAKTM-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)CC2CCC2)C1	2251569640	DJPSQJFGZPJJLK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)c1cccc(CC[C@@H]2C=CCC2)c1	2251670729	TWLMWATVOGDBCO-CQSZACIVSA-N	228.379	4.883	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)c1ccc2ccsc2c1	2253077092	WTAKZFFMZHAUPS-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CC1CCC(N)(CC[C@H]2CCCCC23CC3)CC1	2253807386	OBQKHDOIJFOIBJ-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)CC[C@H]1CCCCC12CC2	2253855332	MXBGUNZEJNPOOK-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCC[C@H](C)[C@@H]1C	2256145251	VTRPQGRXSWPRKY-SLEUVZQESA-N	249.373	4.625	0	10	BJAE	
CCCc1ccc([C@H](N)CC2(CC)CCC2)cc1	2256294759	VKHIGYAJQDRFPD-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1ccc2ccccc2c1	2259445977	XWYPXSLZEUSVPQ-SUMWQHHRSA-N	242.362	4.700	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@]12CCCC[C@@H]1CC2	2260485997	BGJHCTIEPKRDHX-HCGXZRIXSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(C[C@@]23CCCC[C@@H]2CC3)C1	2260677713	HDKVCGFSYLVVCX-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(Cn2ccc3ccccc32)cc1	2268130713	XENKAORDRDSGMI-UHFFFAOYSA-N	249.357	4.642	0	10	BJAE	
CCCCCC1CC(N)([C@H](C)CC2CCC2)C1	2298912401	WKJKPPBWBQBVGA-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)[C@@H](C)CC1CCC1	2298938141	DJTMETYJAATNIW-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](NCC)[C@](C)(CC)C(F)F	2299825379	LSMUCOUGCTWYSS-JSGCOSHPSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)CCC(=O)C1CC2(CC(C)C2)C1	2300673988	OVKFMOHRDWRMDX-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCC[C@@H]1C1CC1	2300679430	SNBIGEJAQMGQRT-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(N)(CCC(CC)CC)CC1	2300699764	IHUHNVQARPDBER-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CCC(C)=CCC1(CNC)CCC(C)(C)CC1	2300869444	IXEWYESKVQKDQS-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)CC1CCCCCC1	2301143217	RNLBFXHIXBEOQG-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@@H](C)[C@H](C)C(C)C	2301686549	WBDSRXIJBYZGDU-CABCVRRESA-N	241.463	4.717	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)C2CCCCCC2)C1	2302749885	BXPPIRPYSZXQMD-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H]1CC[C@@H](CC)C1	2307819658	OMOXRYBIHKAQLM-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)[C@@]12CCCC[C@@H]1CC2	2307897567	CIAGTOKVSDMPMR-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](C[C@@]23CCC[C@@H]2C3)NC)CCC1	2310753532	ZJEYCDGIRBPDJW-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@@]12CCCC[C@@H]1C2	2311147842	MMBIWZKWTAEBJJ-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@@H]1C[C@H]1C1CCC1	2311476250	FAXAJYBPJHPURW-CWRNSKLLSA-N	246.394	4.518	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2C[C@H]2C2CCCCC2)CCC1	2311608420	IOLHXGPMQGREAW-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@]23CCCC[C@@H]2CC3)C1	2313322331	FUPITFSFZXUYQL-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
CC=CC[C@@H](NCCC)c1ccccc1CCC	2316504268	UCIGKXNIEWEKPA-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CCC(C)=CC[C@@H](N)[C@H]1C[C@@H]1C1CCCCCC1	2316508586	KWJHHAYUDWVBQB-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
O=C(CCC1CCCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316752511	OQGOOMAIWFBABV-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C[C@@H]1CC12CCCC2	2317965617	ZNSJBXWYSLQFSH-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CN(CCCC1=CCCCC1)C[C@@]1(C)C=CCC1	2318586714	MHEJIKXPJQYYJH-KRWDZBQOSA-N	247.426	4.555	0	10	BJAE	
N[C@@H]1CCC[C@@H]1CC[C@@H]1C[C@@H]1C1CCCCCC1	2318792024	UPBZTAZHWMSODB-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C[C@@]2(C)CCCCN2)CC1	2318818086	UIKKRTBYMAPELQ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2318878874	PJAXDRHDCCUZHT-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CNc2ccc(C3CC3)cc2)C1	2319032865	WPPUARUUPMAJOH-ZDUSSCGKSA-N	243.394	4.802	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(N)CC12CCCCC2	2320242136	ZUOQNHDRCRBBQG-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2CCC3(CC3)C2)CC1	2320410927	HFFKEERLYIUBAM-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@@H](CC1CC1)C1CC1	2320773847	YPAUFPMWPJYQOF-IRXDYDNUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)C[C@@]23CCC[C@@H]2C3)C1	2321608748	SBAACUGFBPNDPX-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2cc(-c3ccc(Cl)s3)[nH]c12	1518939	WHYGSKGBGCWORZ-UHFFFAOYSA-N	247.750	4.858	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H](C)CCC(C)C	21012300	BVGFPTIIRJPKFX-LLVKDONJSA-N	239.790	4.885	0	10	BJAE	
CCC[C@@H](C)NC1CCC(C(C)(C)CC)CC1	21793783	FOYORQBBHMQGHR-WLYUNCDWSA-N	239.447	4.760	0	10	BJAE	
O=C(CC1CCCCC1)c1ccc(Cl)s1	36943061	BVHGCQCVMSEMEP-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCC(CC)N[C@H](c1ccccc1)C(CC)CC	37107796	NURJMNOZUWFHBE-KRWDZBQOSA-N	247.426	4.942	0	10	BJAE	
Cc1cccc([C@@H](C)Nc2ccccc2Cl)c1	37210808	CYEFXUYEUGMYSK-GFCCVEGCSA-N	245.753	4.822	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1C)[C@H](C)C(C)C	70123537	JUFOMQQYAVBICV-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CC[C@H](NCC[C@H]1CCC[C@H](C)C1)c1ccco1	70537342	XXALQYFOWSRINF-ZNMIVQPWSA-N	249.398	4.537	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)C1CCCC1	71104172	CFJXDOTYEBDZEH-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CCCC(CCC)N[C@H](C)C1CCCCC1	71106445	BWIWWXQBJHEUGI-CYBMUJFWSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)CCCC(C)C)C1	71106977	GIBRYJTYSJDRHG-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CCCCCN[C@@H]1CCC[C@@H](CCC)CC1	83437210	NQQDDIOEEUREAW-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1c(Cl)cccc1Cl	83847871	FPYFSFHMTPKJDM-BDAKNGLRSA-N	246.181	4.840	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(C2CCCCC2)CC1	86940176	NUFFDGUDQHRFBN-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc([C@H](O)C2CCC(C)(C)CC2)cc1C	87941273	ZWYXFJTWMPUZLX-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc(C(C)C)c2cc([C@@H](N)C(C)C)oc12	88075515	KFCUSQCQLVLOGQ-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CC(C)CCC[C@H](C)NC[C@H]1CCC[C@H](C)C1	89605049	AQYGZJSJNAIMNV-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@@H]1CCCCC1(C)C	94274634	XMUOTXYMJALGAO-GDBMZVCRSA-N	245.410	4.614	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1CCC[C@H](C)C1	94984783	KPOPGDDVDVYNCS-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H](C)C(C)(C)C)c(C)c1	104450109	OPFORBPBBJPOAD-CYBMUJFWSA-N	232.367	4.558	0	10	BJAE	
CCC(C)(C)[C@@H](N)c1c(C)c(C)c(C)c(C)c1C	110199081	YOHUJKJQEIGYIX-INIZCTEOSA-N	247.426	4.665	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H](C)CC(C)(C)C	124747736	UNTWRSPJTPAUJJ-UONOGXRCSA-N	227.436	4.747	0	10	BJAE	
C[C@@H](N)c1cccc(SC2CCCCCC2)c1	149359204	WYRXEFXXCMZZPA-GFCCVEGCSA-N	249.423	4.521	0	10	BJAE	
CCCCCCC(=O)c1cc(C)c(C)s1	164725692	KPXNEIQFUVJAOU-UHFFFAOYSA-N	224.369	4.518	0	10	BJAE	
CC[C@H](C)[C@H](C(=O)CCC(C)C)c1ccccc1	164733697	ZATOZYZHCYZSJZ-YOEHRIQHSA-N	246.394	4.822	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1CCCC[C@H]1CC	165773592	RFOCZHXOARCGHR-UKRRQHHQSA-N	238.415	4.988	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1CCC[C@H](CC)C1	166305055	RVZNCWBFVSQCSL-DZGCQCFKSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1c(C)c(C)cc(C)c1C	167242064	JTPJFOWLTZASGH-ZBEGNZNMSA-N	247.426	4.617	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cc2ccccc2s1	168065693	CODVEJQISFCFFD-SNVBAGLBSA-N	232.348	4.520	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)C[C@@H]2CCCCC2=O)c1	196683219	JHERADDOHOZHPL-GJZGRUSLSA-N	244.378	4.556	0	10	BJAE	
O=C(CC1CCCCC1)c1ccc(C2CC2)cc1	196858780	ODFJPDNOWHIOSQ-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC[C@@H](C)c1c(Cl)cccc1Cl	199245366	IDCHJFOUCXBMNE-SSDOTTSWSA-N	203.112	4.507	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H]1C[C@@H](C)CC(C)(C)C1	224814382	WXSADFVJHQLBOU-IPYPFGDCSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1c(C)cccc1F	224936850	XKBGLPLGSSKYSU-WCQYABFASA-N	237.362	4.761	0	10	BJAE	
CC(C)CCCC(=O)C[C@@H](C)CC(C)(C)C	229450899	SFOSNGVMLZGZSW-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)c1cc(C)cc(C)c1	229481293	IBSBUKVXTHPJRA-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC[C@H]2CC2(C)C)cc1	232746484	XEDFTQNPEAEPIB-XJKSGUPXSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2cccc3c2NCCC3)C1	233964621	YVUUQCZZCOUUIA-HIFRSBDPSA-N	243.394	4.729	0	10	BJAE	
C[C@H]1CCC[C@H](c2c[nH]c3ccc(F)cc23)C1	235730187	MZLFMVAKYJQRHR-QWRGUYRKSA-N	231.314	4.601	0	10	BJAE	
Cc1ccc2c(c1)[C@@H]([C@@H]1CCCCC1(C)C)CN2	235994945	FATKBPWSQZQPEC-GJZGRUSLSA-N	243.394	4.721	0	10	BJAE	
N[C@H](C1=CCCCCCC1)c1cccc(Cl)c1	236315837	GUNBXNWFVUGKIQ-OAHLLOKOSA-N	249.785	4.620	0	10	BJAE	
Cc1ccc(O[C@@H]2C[C@@H](C)C[C@@H](C)C2)c(C)c1	251151296	IJROBBRARQMUJT-NHAGDIPZSA-N	232.367	4.507	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1cc(Cl)cs1	300894292	QBDRWDFUIPWDJE-SNVBAGLBSA-N	246.803	4.651	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)C1(C)CCCCC1	302244998	AFEJUKHDYRQYQU-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)c1cccc(C)c1C	302283525	JROIESFXOQWLFX-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC1(C)CCC[C@@](N)(CCC2CCCC2)CC1	305896258	JZAZVEITOGKUDW-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(C(F)F)c2scc(Cl)c12	306673094	BXRJBGUDSVLIEH-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCCC(=O)CC/C=C(\C)CCC=C(C)C	309342905	HGIMBDDKXGLOAP-SDNWHVSQSA-N	222.372	4.829	0	10	BJAE	
CCCC[C@@H](CC)CNCCC1(C)CCCC1	310461741	AYFAGSYRIAGNFZ-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CN[C@H](C[C@H](C)C1CCCCC1)CC(C)(C)C	310525606	XUSDQMWKDYIMHF-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CNc1ccc(OC(C)C)cc1	310580418	RODASSLDGLLRBL-AWEZNQCLSA-N	249.398	4.568	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CC3CCC2CC3)CC1	311106761	VNFRDKYAGMXQEN-HPDBWDTBSA-N	249.442	4.514	0	10	BJAE	
CNCC1([C@H]2C=CCCCCC2)CCCCCC1	316654068	ANULUTQMEVPYET-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCC[C@]1(CNCC(C)C)CCC[C@@H](CC)C1	318001777	AKLFYJPOTANAIC-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@@H](C)[C@H](C)CC	319281752	GJOZMVQTJQNVEZ-OWCLPIDISA-N	241.463	4.865	0	10	BJAE	
CC[C@@H](N[C@H](C)C1CCCCCC1)C1CCC1	322396192	QFOHUALPMCPZCS-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(O)(CC/C=C\c1ccccc1)C(C)C	324030363	PYZKDVSUHLMRTJ-WQLSENKSSA-N	246.394	4.523	0	10	BJAE	
Cc1cc(C)c(CNC(C)(C)C(C)(C)C)c(C)c1	381264690	QCKDSOLWAIZXKQ-UHFFFAOYSA-N	247.426	4.526	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC[C@@H](C)C1	383118350	BFWXFFJJPWOAEC-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCC[C@]1(O)CCCCCC(C)C	383133506	DHHYNFMDGNDTSL-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CC[C@](O)(CCCCCC(C)C)c1ccccc1	383502304	IBANJJQTUKKMGU-KRWDZBQOSA-N	248.410	4.891	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H](C)CC(C)(C)C)cc1C	384423161	APODOHBIJANMDA-GJZGRUSLSA-N	247.426	4.779	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H](C)CC(C)(C)C	384587894	LXPVGAFTAILDHE-JTQLQIEISA-N	239.790	4.885	0	10	BJAE	
CCCNCC/C=C(\C)C[C@H](C)c1ccccc1	384866310	HVFLRJPVNJSZRH-LRQZKABGSA-N	245.410	4.516	0	10	BJAE	
CCN[C@H](c1ccc(C)c(C)c1)[C@@H](C)CC(C)C	385341467	XJSFOEFLJGIZAW-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
C[C@@H](CCC1=CCCCC1)C(=O)c1ccccc1	395350929	IPSXWEISOUGYGR-AWEZNQCLSA-N	242.362	4.786	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)c1ccc(C(C)C)cc1	395573055	ODBJRLDEOCICET-HOTGVXAUSA-N	244.378	4.675	0	10	BJAE	
CCc1sc2cccc(C(F)(F)F)c2c1F	396311442	VXMKVVATXQYWCJ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CSc1csc2c(C)cc(C(F)F)cc12	396413519	YFOIFBSYQCQESR-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC[C@]1(C)C[C@@H]1N[C@H](CC(C)C)c1ccccc1	397316007	QYSGRBLBECFOAV-IXDOHACOSA-N	245.410	4.552	0	10	BJAE	
O=C(C[C@@H]1CC=CCC1)C(C1CCC1)C1CCC1	402241593	MJRVGVAEBVAISZ-CYBMUJFWSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)C[C@@H]1CC=CCC1	402344649	RQWUOTVQZCRXNW-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1ccc2c(c1)CCCC2	404710934	RDCVGPJCYMAJCT-CYBMUJFWSA-N	245.410	4.802	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@@H]2CCCC[C@H]2C)c1	688927341	QQEVJRQCGWGDQO-XYPHTWIQSA-N	245.410	4.636	0	10	BJAE	
CCCCC[C@H](O)c1cccc(C(C)(C)C)c1	691675436	AYOYUYPGWLUJDQ-HNNXBMFYSA-N	234.383	4.598	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@H]1CCCCC1(C)C	692104556	FXCYVXNMGBKVJQ-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CCCC[C@H](NC)C(C)(C)C	696692552	RGDQSLSLTOUAQV-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](CO)C1CCCCCC1	696860704	GEMOGFRXNWHDHO-OAHLLOKOSA-N	226.404	4.536	0	10	BJAE	
CC(C)NC/C(=C/[C@H]1CC1(C)C)C1CCCCC1	700663361	LYBUYQSGVDDOCS-IZNAZMGOSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCCC1(CO)CC2(CCC2)C1	700830621	FNFWQGVRPJDFTJ-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1ccccc1C(C)(C)C	701136244	NYERJMWVSFOLHE-HNNXBMFYSA-N	247.426	4.681	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@@H]1CCCC[C@@H]1C	704852869	XKMYVFVTUBMXNK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@H]1CCCC12CC2	706310083	JIQUTDPBIWUCRY-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC[C@@H](C)CC(C)(C)C)C(C)C	709182256	BMBSSLRMHNLTBB-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@@H]1CCCC2(CC2)C1	710136296	PPQMPEGJWXBYFE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@]12CCCC[C@@H]1C2	710546041	UVDJXUCDHPLORZ-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C1(CCC)CC1	713126260	RVVQQPONJFRJRY-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](CC(C)(C)C(C)C)NC	713144955	VNSXYZPKSAZZCM-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCCC1CCC([C@@H](CC(C)(C)C)NC)CC1	713264208	MYPVLCIOABJEFP-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CCc1cc(C(F)(F)F)ccc1C	713655487	IQRHTYRRRBAKHX-SNAWJCMRSA-N	240.268	4.689	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)C(C)(C)C(C)(C)C	713681442	FFEFDNHILGSVGM-VNDWYCCKSA-N	237.431	4.559	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@H]3CCCC[C@@H]32)CCCC1	714322444	MDHYXXZNFVXBLB-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714431344	XXLUDSNHXYYWKQ-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@]1(CCC(C)=C(C)C)C[C@H]2CC[C@H]1C2	718750846	XHMJYWKUGHZPGS-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)SC[C@H]1CCC[C@@H](C)C1	1458943554	DVBGEWIAUXCLCU-NEPJUHHUSA-N	214.418	4.735	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC[C@H](C2CC2)C1)C1CCCC1	1462352684	CKDZKHWLDVBLJV-GVDBMIGSSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@@H](C)CSc1cccs1	1652606287	GTASPQSATCMYJA-SNVBAGLBSA-N	214.399	4.522	0	10	BJAE	
CC[C@@H](C)CCNC1CCC(CC)(CC)CC1	1656595537	DUFLSFYWURUHNL-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C=CC=CCCCCCCC(C)(F)F	1901371433	DXXARGSDYINOON-UHFFFAOYSA-N	202.288	4.724	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1c1c(F)ccnc1Cl	1903370597	SEFVKGYBOVTLGY-UWVGGRQHSA-N	241.737	4.558	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CCC[C@H]1C(C)C	1907595991	HLMBIYCIORDLMA-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H]1CCC(C)(C)CCC1=O	1908544111	BADISHXIRMIWLR-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@H]1CCC2(CCCCC2)C1	1915863705	AQBGRPOEENKBMX-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2CCC3(CCCC3)C2)CC1	1916431988	XGQINXQCRMHBMN-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
COc1ccc(CCC[C@@H]2C=CCCCC2)cc1	1925843999	QIOXSKLSIIEBMT-OAHLLOKOSA-N	244.378	4.764	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)CCC(C)(C)C	1936271538	RGPOZWLJWQLMSE-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](C)(N)C(C(C)C)C(C)C	1940255325	GFDADGOIVXNSHK-ZBFHGGJFSA-N	241.463	4.704	0	10	BJAE	
CC(C)c1ccccc1C(=O)CCC1CCC1	1940623668	ACQDSYXZFGVORA-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
Cc1ccc(C)n1CC(C)(C)C1CCCCC1	1940789918	HQYYDTKSSXQKQX-UHFFFAOYSA-N	233.399	4.711	0	10	BJAE	
CCCc1oc2c([C@H](C)CC)cccc2c1O	1941146750	MRTHLTKJBQAMDJ-SNVBAGLBSA-N	232.323	4.604	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)[C@@H](CC(C)C)C(C)C	1941266189	AXZFJRVUZVEQDP-HRCADAONSA-N	241.463	4.704	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)[C@H](C)C(C)C	1941585140	DMFXTVUXUOIFMY-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)C1(C)CC(C)(C)C1	1941984710	YIBJYWAJRRUZIU-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(CNC2CCCCCCC2)C1	1942073273	HLDJZBFHCYCSPR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)c1sccc1C1CC1	1942504789	ZFVISRLSCCAGEA-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)[C@@H](C)CCC(C)C)C1	1942652896	LVBCLMLUXNNDEH-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1[C@H](C)CCC(C)C	1942659126	QRHBWIHANDFGFR-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC1CCC(CC)CC1	1947453454	PIXYTZVNHKKVPW-GYTBAZASSA-N	237.431	4.514	0	10	BJAE	
CCCCCCNC1C[C@H]2CCCCC[C@@H]2C1	1947855093	FJKIGWQKYWBPIU-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@]1(O)C[C@H]2CCCC[C@@]2(C)C1	1948593808	USJSYJOBTITING-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1C[C@H](CC(C)(C)CC)CCC1(C)C	1949662241	OEIZYOXPIALMFJ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
O=C(CCCCCCC1CC1)CC1CCCC1	1949857992	STMZURBPHOYJJR-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC(CCC)N[C@H]1CCC[C@@H](CC)CC1	1967708471	QAYURAGCVGYSDQ-ZBFHGGJFSA-N	239.447	4.904	0	10	BJAE	
C[C@@H]1CC[C@H](COc2ccc(C(C)(C)C)cc2)C1	1968299572	WIABWKPSVSFKIR-KGLIPLIRSA-N	246.394	4.799	0	10	BJAE	
Cc1cccc(C)c1NCC[C@@H]1CCC[C@@H](C)C1	1968351736	MRWWQSQEPXWAJN-CJNGLKHVSA-N	245.410	4.932	0	10	BJAE	
CCCc1ccc(NC[C@@H]2CCC3(CC3)C2)cc1	1968426195	MBDLWXZFZKACIA-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
CC[C@H](C)CCN(C)C[C@@H](C)C1CCCCC1	1970737648	OVFGZARTEMUNSP-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCC1(CN[C@H](C)C2CC3(CCC3)C2)CCCC1	1971013258	FJGCNILUBSAUFA-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
c1sc(CC2CCCC2)nc1C1CCCC1	1971279542	SFARLTQNLYAHMA-UHFFFAOYSA-N	235.396	4.533	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1(CCC)CC1	1990631245	YYPVRRZWGSBQCA-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
Fc1cc(Cl)cc(CC2CC(=C3CC3)C2)c1	1993496581	OPHFAVWZOWLXNX-UHFFFAOYSA-N	236.717	4.522	0	10	BJAE	
CCCCCC[C@@H](O)CC[C@@H](C)CCCC	1995254049	NHXUYEXAQMYZOP-LSDHHAIUSA-N	228.420	4.924	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2(C)CCCCCC2)C1	1995826854	OFGSRCJJTDLFEC-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCC=CCCC1)C(C)(C)C	1999985156	GOSKSOLRVGLHPZ-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
Oc1ccc(SC[C@H]2CCC=CCCC2)cc1	1999999826	WTTOCAYMZKFTLF-ZDUSSCGKSA-N	248.391	4.621	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CC(C)=C[C@@H](C)C1	2000355415	JVMYRAWOIATYJM-BMFZPTHFSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C1CCCCC1)C(CC)(CC)CC	2000376524	NNZXIJHGIAEFJR-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CNCCC)C1CC(C)(C)C1	2000523100	LXAKXZCHEJQPSN-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CCC)C[C@@H]1CC12CCCCC2	2001219341	YUSQSWYNKPDRGP-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C[C@H]1CC12CCCC2)NCCC	2001219979	RKHCYBHUDZQPTN-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
OC1(CC2CCCCC2)CCCCCCCC1	2003111120	JBHWIBNVNCAGCN-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
Cc1ccc(C(=O)CCCC2CCCC2)cc1	2003651153	CZAZRCGQWJAVNY-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1C=CCCC1(C)C	2006915680	XPJKRNXYOGJSOJ-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC(=O)C1(C)CCC2(CC2)CC1	2007683725	UJQJAPOWZISOLC-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
NC1(C=C2CCCC2)CCCCCCCCC1	2007969752	WEDQPCFKZIFWAF-UHFFFAOYSA-N	235.415	4.709	0	10	BJAE	
CCCCCC[C@H](NC)C1(C2CC2)CCCC1	2008477894	QQBVRLHSIDNHHX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC(C)(C)CC(O)(CCC2(C)CC2)C1	2009543785	JQYWGUDUZPAUDS-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCCC(=O)C(C)(C)C1CCCCC1	2009566143	BBSQQXFQXMOMFX-SNAWJCMRSA-N	236.399	4.908	0	10	BJAE	
CC=CCCC[C@]1(CN)CCCC(C)(C)CC1	2009616983	NUNFBOIFLXMOIQ-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CC(C)c1ccc(OCCC[C@H]2C[C@@H]2C)cc1	2011568446	PPBMPBPRWAMINJ-ZFWWWQNUSA-N	232.367	4.625	0	10	BJAE	
CC[C@H](CCC(C)C)NCC(C(C)C)C(C)C	2013268040	WLHFWVOMLDNLAL-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CCCCC[C@@]1(CNC(C)(C)C)CCC1(C)C	2014845464	FSGLCVKHVSXNPX-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(CC(=O)[C@H]1CCC[C@H](C)C1)C(C)C	2015380041	RENNLDCRNDDRPI-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CCCC1(CSc2ccc(N)c(C)c2)CCC1	2015641227	BMXSNWLZQLWWQY-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CC[C@H](CNc1cccc(C(C)C)c1)C(C)C	2016106842	QTGBXPZUSVFUGX-CQSZACIVSA-N	233.399	4.904	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(N)CCC=C(C)C)CC1	2016117516	PDXGZZXXKFZCSZ-GDBMZVCRSA-N	235.415	4.587	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C1(C(C)(C)C)CCC1	2017159495	XLWJNKOZOXFNDW-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)[C@@H](C)C(C)C)CC1	2017650097	CUCHZTNBWNISQT-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CC12CCCC2	2018137858	ZMRGAMSXRBTGGD-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC(F)(F)CCCC[C@H](N)C(C)(C)C(C)(C)C	2023279746	SXXOCONOQRXENM-NSHDSACASA-N	249.389	4.602	0	10	BJAE	
CCC(=O)c1ccc(-c2cc(C)c(C)s2)cc1	2023981184	ZYWQRTFZFVAKAH-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
CC[C@H](C)[C@H](O)CC1CC(C)(C)CC(C)(C)C1	2024114744	CKTUNRMQXJAUCG-GXTWGEPZSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(O)CCC(C)(C)C2)C1	2024128094	KBNSQPRVAOZFGO-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1cc2c(o1)CCCC2	2027376616	CEXJFPQSIVMELF-LBPRGKRZSA-N	248.366	4.558	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1ccccc1C1(C)CC1	2028563370	UFBRYQUIMAVRJT-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
O=C(CCCCCC1CC1)[C@H]1CCCC2(CC2)C1	2028632262	XZRDSKZZGUCATF-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
Cc1ccccc1[C@@](C)(N)CCCCCC1CC1	2028638174	XPUDPIAEQFXDGW-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
O=C(CC1=CCCC1)c1ccccc1C1CCC1	2029068220	IENBZNATQRUXJP-UHFFFAOYSA-N	240.346	4.637	0	10	BJAE	
CCC(CC)C[C@H](N)c1ccccc1C1CCC1	2029071048	RIEAMZKNQCMSOI-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
c1cc(NC2C[C@H]3CC[C@@H]3C2)cc(C2CCC2)c1	2029079242	VKBYXXJBRRJNST-HUUCEWRRSA-N	241.378	4.555	0	10	BJAE	
C[C@@H]1C[C@]1(C)C(=O)c1ccc(C2CCCC2)cc1	2031745023	JYNJTPFYXPWCAJ-PXAZEXFGSA-N	242.362	4.573	0	10	BJAE	
CCC1(C[C@]2(N)CC[C@@H]3CCCC[C@H]3C2)CCC1	2037105574	NHDPAOURJROXDD-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C1C(C)(C)C1(C)C	2037212064	LFXBIONJQFBRJG-YVEFUNNKSA-N	249.442	4.523	0	10	BJAE	
C[C@H](C[C@]1(N)C=CCCC1(C)C)C1CCCCC1	2037873159	ZNBWDWASMWTUNV-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CCCC1(CNC[C@H]2CC23CCCCC3)CCC1	2039092280	OQGVFZBTDZIGNO-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCC1([C@@H](NC)[C@H]2CCC3(CCCC3)C2)CCC1	2039719489	IJJNPVDFINKWRH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H](Nc2cc(C)ccn2)CC1	2041499868	QURFRMVJNFXTRK-LSDHHAIUSA-N	246.398	4.551	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H]2CCC23CCC3)CC1	2041541783	SVYKRXQBLTYUTQ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CCCCC1)C1CC=CC1	2042018198	CGNUTBDUWGUNMD-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NCC2(C)CC=CC2)CC1	2042075446	AGCBSXXFNQLVQM-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCc1cccc(OC[C@@H]2CCC=CCCC2)c1	2045315613	VXNYYDCAYRMNBJ-MRXNPFEDSA-N	244.378	4.764	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CCc3ccccc3N2)C1	2045553546	JXWUEMQZNFNTSO-GOEBONIOSA-N	243.394	4.630	0	10	BJAE	
CCCC1(C(=O)c2ccccc2C(C)C)CCC1	2045569318	LSTSICQWGBJITR-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCC(C)(CC)C(=O)[C@@H](c1ccccc1)C(C)C	2045673194	DFCBVFGQHRLDLL-OAHLLOKOSA-N	246.394	4.822	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047424375	KMFKCSVLPQREIK-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@H]1[C@@]1(N)CCCCC12CCCCC2	2047563062	XOBGWUVAHMBCIV-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)(C(=O)CC1(C)CC1)c1ccccc1	2048880765	VSLXPTRNYOXPOU-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC[C@]2(C)C=CCC2)CC1	2049980293	XOKMIUHSDKPOSQ-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@@H](O)c1ccccc1C	2050442161	TVGJIPORUQZHAN-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
CCCN[C@@H](CC1=CCCCCC1)c1ccco1	2050522480	JLEIVTZCQHSDLY-HNNXBMFYSA-N	247.382	4.601	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)C1(C2CCC2)CC1	2051910899	JSQWDHGITWDJHN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(CNCC2CC3(CC3)C2)CCCCCCC1	2052501453	WNNUPEFTKIBZLD-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC2CC2)CCCC12CC2	2053352359	BHEQDJMRTACHGZ-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
NC[C@]1(CCCCCC2CC2)CCCCC12CC2	2053420453	YMWJLXDDGVOEAJ-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cnccc1C(C)C	2053854864	YDCQATUFDYEVLB-KGLIPLIRSA-N	248.414	4.832	0	10	BJAE	
Cc1cc(C(F)F)cc(C(F)(F)F)c1Cl	2054884309	LHALUVWRGHRQDG-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CC[C@@H](N[C@H]1C=CCCC1(C)C)C1CCCCC1	2055527056	MQHWVHPPRFOPBB-CVEARBPZSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C=CCCC2(C)C)CC1	2055533740	WOLUIRHLIHTFFP-LSDHHAIUSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1C=CCCC1(C)C	2055541739	KIXRGENOVQSDLL-BZUAXINKSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H]2CCCCCC2(C)C)CCC1	2055548087	YCUUFYDNSIPIES-JKSUJKDBSA-N	249.442	4.824	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C2(C3CC3)CCCC2)CC[C@H]1C	2057594054	DLXZAUOYSCPGQC-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC1(C)CC1)[C@@]12CCCC[C@H]1CCC2	2059172465	NOSKOBQKJVIAMD-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@H](O)c1ccc(C(C)(C)C)cc1	2059223340	LXGXIDMYQGMJDS-JFDDCEBESA-N	246.394	4.764	0	10	BJAE	
C/C=C/CCC[C@@](C)(O)c1ccc(CCC)cc1	2059223867	TVBUCPZUFYVQMD-UKINESCASA-N	246.394	4.593	0	10	BJAE	
CCCCCC1CC(NC2[C@@H]3CCCCC[C@@H]23)C1	2059394296	SRDJVIRKZLZAAO-QDIHITRGSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(N)(C[C@@H]2CCCC3(CC3)C2)C1	2059496024	VHEIKDRUBSWLSZ-HPUBIQBYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@](N)(C1=CCC(C)(C)CC1)[C@H]1CC1(C)C	2061122050	LKMJLXQJOVTZND-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C(C[C@H](N)CC2CCCCC2)CC1	2061147108	LVTXAEQVWVOPLZ-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CCc1ccc(NCC[C@@]23CCC[C@H]2C3)cc1C	2061573157	VYPRAMNPXBNAGF-DOTOQJQBSA-N	243.394	4.550	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)CC[C@]12CCC[C@H]1C2	2061606278	KONLWGVXUHRJTA-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC1CC(=C2CC2)C1)C[C@H](C)CC	2061728152	HBHRDLACYDCPJZ-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1C(=O)CC12CCC(CC1)CC2	2065278217	XIYAYSDAJCNSOI-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CC(C)C(CC(=O)CCc1ccccc1)C(C)C	2068981690	NKMYDEQQZAOEGT-UHFFFAOYSA-N	246.394	4.507	0	10	BJAE	
CCCC1(C[C@@](C)(N)C2CC3(CCC3)C2)CCC1	2069339445	JFRKXBGGUHACQO-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@H](N)C23CCCC2CCC3)CCC1	2069343216	XEVMUTPCZZHGBW-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H](C[C@]23CCC[C@@H]2C3)Nc2ccccc21	2070867833	JJCHMQZJFIHDJU-VMUDFCTBSA-N	241.378	4.555	0	10	BJAE	
CCCC1CCC(CC2(CNC3CC3)CC2)CC1	2072803495	IRZRPGSKKKFYQR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(N)(C[C@@H]2C[C@@H]2C2CCCC2)CC1	2079666237	PYCLIKSLXWQUST-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCC[C@@H]1C[C@H]1C[C@@H]1C1CCCCC1	2079861499	GGBOKBPGNNPTBA-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(=O)[C@@H](CC2CC3(C2)CC(C)(C)C3)C1	2082261940	NKKSXNQBUVUEJW-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)c1scc(C)c1C	2210579220	VQVOVVDLGZQCGX-STQMWFEESA-N	239.428	4.581	0	10	BJAE	
CCC[C@H](CC)Nc1cc(C)c(Cl)cc1F	2210737863	SAVZOVZSHJAAAN-JTQLQIEISA-N	243.753	4.778	0	10	BJAE	
Cc1ccc(C(=O)CCCCCCC2CC2)o1	2213578193	JMSSSPRGIPBPFN-UHFFFAOYSA-N	234.339	4.521	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CCCCCCC1CC1	2213579297	DKZNZVJXQKKELG-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
C[C@]1(C(F)(F)F)C[C@@H]1CC=Cc1ccccc1	2213823774	XMYLMFKDGQEEJV-STQMWFEESA-N	240.268	4.678	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(O)(CC(C)C)CC(C)C	2215238561	XECAANYSJXWDPX-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@](C)(CCC)CC[C@H]1C[C@@H]1CC	2215267138	VJERAJMNVVLXQT-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)C1(C)CCC(C)CC1	2215332483	NQIXINLELKAYGD-IOSBVQAASA-N	236.399	4.598	0	10	BJAE	
CCCCC(C)(C)NCC1(C)CC2(CCC2)C1	2215395222	WXDBPCLYEFTOPC-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CC)CC1CCCCC1	2217150752	OLRVECVFYZEOQW-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218360233	ZYKVZMYSTMRVJV-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(-c2ccc(CC(C)C)cc2)c(O)c1	2218641737	SXLMNBFVZOBJTE-UHFFFAOYSA-N	240.346	4.566	0	10	BJAE	
O=C(C/C=C/c1ccccc1)CCC1CCCC1	2219085670	OKWYKYUEBXOIPY-IZZDOVSWSA-N	242.362	4.629	0	10	BJAE	
CC1=CC[C@](C)(CN(C)[C@H]2C=CCCCC2)CC1	2221603050	TXJTUAWDVITMAY-IRXDYDNUSA-N	247.426	4.554	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@]1(C)CC=C(C)CC1	2221628740	DCHSVFRCYCKXPQ-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C2CC(C3CCC3)C2)CC1	2221640158	JOFJEFHQYRLJMT-VMBOVVBDSA-N	246.394	4.518	0	10	BJAE	
CC1=CC[C@@](CN)(C[C@@H]2CCCC(C)(C)C2)CC1	2221665150	FAIDKYMHSDXJAW-WBVHZDCISA-N	249.442	4.668	0	10	BJAE	
Cc1cc(CNC(C)C)ccc1C1CCCCC1	2221803891	ZOJBHVJEIDSSGO-UHFFFAOYSA-N	245.410	4.541	0	10	BJAE	
CCCCCC(=O)CC[C@H]1CCC[C@@H](C)C1	2242762110	JBVFMSWVWMOBOO-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@](C)(O)CCCCC[C@H]1C[C@H]1C	2243908843	SFBZSZTVRSNCLB-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C[C@H]1CCCCC12CC2	2246603430	QYGNPSZFOZSLCJ-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1CCCCC12CC2	2246617131	IUHCWKAGIARBDC-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@@](O)(CC[C@@H]1CCCCC12CC2)C(C)C	2246634904	VDZHFMUTFDXOEN-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)NCC1CC2(CCCC2)C1	2246789764	NRVIFZJXXXIUQW-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(O)CCCCC[C@H]1C	2247127077	FTBVPBBTDJZUPH-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CCCC[C@H]1C[C@H]1C	2247177035	UABPNKGTKWZOHH-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](O)c1cc(C)c2sccc2c1	2248583382	XASBFSYFOBKGNG-CQSZACIVSA-N	248.391	4.823	0	10	BJAE	
C[C@H]1CCCC[C@@]1(N)CCCCC[C@H]1C[C@H]1C	2248808000	PYYDWOJDOPHHDM-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1(C(C)C)CCC1)NC	2250358173	KOYDVJWYMNQYIV-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCCCC[C@@H]1C[C@@H]1C	2250358709	AIAAPVGDXJLBFE-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC1CC(C(C)(C)C)C1	2250367534	AJGFRMNJOVJXKM-OOJKYFRXSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2250380469	HAEASTAWGBZHDS-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CC[C@@H](C)CCCC(C)C)C1(C)CC1	2250488650	PDKXJOCKKXBPEF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC(=O)CC1CC(CC(C)(C)C)C1	2251571810	LUBLXZUQILKPMU-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2CCC23CCC3)C1	2253940107	XVPXVQVNJIZSSW-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@H]1C)[C@H]1C=CCCC1	2254592692	NXFWYXASOXUAHO-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C1(CC2CCC2)CC1	2254603637	CPKPYQFWZZZIGT-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)CC[C@H]1CCCC12CC2	2255251027	ZWNPYSGQHKOVQG-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC[C@@H]2CCCC23CC3)[C@@H](C)C1	2255269028	KSRQNFIXKVSYLA-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)C1(CC2CC2)CC1	2257248142	NLMMQKHIABRAGW-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H]1CCNC2(CCC2)C1	2257362664	UAQBATYUHFBJQX-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H](CN(C)C1CCC=CCC1)C1CCCCC1	2257951201	SQCYORWJQGZJIN-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cccc(CC(C)C)c1	2259447151	KIMYDSUYBPNGCD-NVXWUHKLSA-N	247.426	4.711	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@@]12CCC[C@@H]1CC2	2260499881	HIDKVGHYRZWBQW-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@]12CCC[C@@H]1CC2	2260510065	ZDLDHEMSAQJLAP-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(NC[C@@]23CCCC[C@H]2CC3)CC1	2260552842	YANDKTSDEGJSDO-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@]23CCC[C@H]2CC3)C1	2260584953	YHRZEAMLIALDJW-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@]12CCC[C@@H]1CC2	2260588074	QKYRAIWLDDQJHS-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CC[C@]1(C[C@@]23CCCC[C@H]2CC3)CCCCCN1	2260677116	CTSSRDDILFIRCP-YESZJQIVSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@@]23CCCC[C@H]2CC3)C1	2260679740	SUIAPRHNISGINZ-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@H](O)c1cccc(CC2CC2)c1	2260910273	NQFBOKAHGJLFFC-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)C2CC3(CC3)C2)C1	2261246326	FWVDHNTYVHQFET-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](NC[C@@H]2C=CCCC2)C1	2261394842	JDHYEAQFQOJQOV-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H](C)CC2CC2)CC1	2298911697	QSTOOFSFMQRTEE-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@@H](O)[C@@H](C)CC1CCC1)CC(C)(C)C	2298916480	NMHBEGUKNZDRIO-VNHYZAJKSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@](C)(CC)C(F)F	2299825380	LSMUCOUGCTWYSS-OCCSQVGLSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@@]1(C)CC=C(C)CC1	2300681996	UYCYZHGMLBQGIQ-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CCC(=O)C1C[C@@H]2CCC[C@H]2C1	2300687557	DFKYYQUSHZCFHG-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C1CC(O)(CC2CCCCCC2)C1	2301135737	OAXNYYMAADFXAR-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CC2CCCCCC2)C[C@H]1N	2301147166	GXNLHSGUOYLQFV-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)C1CCC(C)(C)CC1	2301954494	ABGYDNATMRKIBG-QWHCGFSZSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@@H]1CC(C)(C)[C@H]1C	2302156123	RLQCEGAXTCPIBE-XQLPTFJDSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CC)[C@H](C)CCCC1=CCCCC1	2302347456	QVHUSBSVBROLPF-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CN(CCCC(C)(C)C)C[C@H]1CCC(C)(C)C1	2303246780	PFTVCYSTPQJQAY-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCCC(C)(C)CNC[C@H]1CCC(C)=C(C)C1	2303600865	MBCKCTAKBHIHRX-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@]1(CC[C@H]2CCC(C)(C)C2)CCCN1	2304433976	GUBFXKGQNAGJML-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(=O)CC[C@@H]1CCC(C)(C)C1)C1CC1	2304438460	WMTRHFMVNWLGRQ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)C12CCC(CC1)C2	2307873307	FBXVYAXBVXKHBR-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1CC12CCCCC2	2307899266	BIGNEWCLWZGYMH-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)CC1CCCCCC1	2307900621	GILIRSZWOAYXFK-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC[C@@H]1CC1(C)C)NC	2307905197	WAMSKPRRUAFLCV-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2310379970	LMOVBPAQPNNUCC-HDEZJCGLSA-N	246.394	4.518	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)[C@H](C)CC1CC1	2313669218	QVLSHVCVVBOLRX-CXAGYDPISA-N	245.410	4.507	0	10	BJAE	
C[C@@H](CC1CC1)C(=O)c1ccccc1C(C)(C)C	2313705156	QWTFZMYUFFQZRB-LBPRGKRZSA-N	244.378	4.603	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CCCC[C@@H]1F	2315878561	VKIZPRRMEPKLBN-GJZGRUSLSA-N	249.373	4.811	0	10	BJAE	
CCC(CC)CC[C@@](O)(c1ccccc1)C(C)C	2316247970	KFYMUCOJMPZRNG-KRWDZBQOSA-N	248.410	4.747	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C1(CC2CC2)CC1	2316500518	ABMHLEFCFIIBKY-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(=CCC(=O)[C@@H]1C[C@H]2C[C@@H]1C2)CCCC(C)C	2316500549	ARAUAHBMTCSMTA-OWCLPIDISA-N	248.410	4.764	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1C(C)=CCC[C@@H]1C	2316502540	LPZCTZMHOSVSJH-BBWFWOEESA-N	249.442	4.703	0	10	BJAE	
C[C@](F)(CC1CCCCCC1)c1ccc(N)cc1	2316872595	JBKLREJEIUIHOB-INIZCTEOSA-N	249.373	4.814	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H]1C[C@H]2CCC[C@H]1CC2	2316954658	CPAGRFYTKNBIPX-NNXHMXCWSA-N	249.442	4.514	0	10	BJAE	
O[C@](CCCC1=CCCCC1)(C1CCC1)C1CC1	2318556686	CRGVKLBOWKJDKK-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@H]1CCC1(C)C	2318591636	AFQPZDPGMDPWEL-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C1=CCC(C)(C)CC1	2318875202	LGCRGADJRNSKBV-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCC(C)(C)C2)cc1F	2319115482	LBLVZSBQESJCFA-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2CC3CCC2CC3)C1	2319125380	CFBWVAZKHINNHZ-HXSCFSKGSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@@H]1CCCC12CC2	2320245607	BONHLSLYAYQFGF-MJBXVCDLSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2cccc(C)c2F)CC1	2320418416	BAXARYQFWSKFLV-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
CC1=C(C)C[C@H](CNCC2(C)CC(C)(C)C2)CC1	2320423830	OMUXQAOICBDVNZ-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC(C)CC12CC([C@H]3CCC(C)(C)C(=O)C3)(C1)C2	2321563335	YOAPMDSUUXKRJC-IGEOTXOUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)C[C@@]23CCC[C@H]2C3)C1	2321608749	SBAACUGFBPNDPX-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccc2occc2c1	2328212469	HQCVORYHRDGITJ-GFCCVEGCSA-N	244.334	4.832	0	10	BJAE	
CCCCc1cc(=S)oc2cc(OC)ccc12	32500142	FLZZDRSSWZMYDA-UHFFFAOYSA-N	248.347	4.513	0	10	BJAE	
CCCN[C@H](c1ccc(C)c(C)c1)[C@@H](C)CCC	35572797	GSQQBTKMJBKZQB-YOEHRIQHSA-N	247.426	4.780	0	10	BJAE	
Fc1cccc(N[C@H]2CC[C@@H]3CCCC[C@@H]3C2)c1	37202670	USOYKPJACUMZOM-ZENOOKHLSA-N	247.357	4.597	0	10	BJAE	
CSc1ccccc1N[C@H](C)C1CCCCC1	37279084	IIAIOYRKVZENEJ-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CCCCCC[C@@H](C)n1ccc2c1CCCC2=O	41707540	MGIXDCSKIOYWIS-CYBMUJFWSA-N	247.382	4.539	0	10	BJAE	
Cc1ccsc1[C@@H](N)C[C@H](C)CC(C)(C)C	42728917	ZUEDXGUELSJYHS-JQWIXIFHSA-N	239.428	4.519	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(F)cc1C	68985636	IKBZPCKIBIBSRK-CYBMUJFWSA-N	223.335	4.515	0	10	BJAE	
Cc1c(C)c(C)c([C@@H](O)[C@H](C)C(C)C)c(C)c1C	70126063	RPFVRFRMHVNSAR-QGHHPUGFSA-N	248.410	4.554	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCCC[C@@H]1CC	70977651	APEQCOVWQGFLBR-GOEBONIOSA-N	231.383	4.630	0	10	BJAE	
CC(C)(C)CCNc1c(Cl)cccc1Cl	83374707	NMXDLBDLMMIAFO-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
CCNCCCCCc1ccc([C@@H](C)CC)cc1	87729304	OTRHLYOCHKPNCM-HNNXBMFYSA-N	247.426	4.522	0	10	BJAE	
CCCC1CCC([C@@H](NC)c2ccccc2)CC1	87963792	VXLHDXQJCUOTBR-PREGVCBESA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H](C)C[C@@H](C)CC	128687599	ACCYFQAKILDKPH-UXLLHSPISA-N	247.426	4.800	0	10	BJAE	
CC[C@H](C)c1csc(C2CCCCC2)n1	132220749	VFGMCBRFNITTPY-JTQLQIEISA-N	223.385	4.704	0	10	BJAE	
CC(C)c1ccc([C@H](C)CCNC(C)(C)C)cc1	132713711	HTXBFHSDEJPXPI-CQSZACIVSA-N	247.426	4.692	0	10	BJAE	
CCCCC[C@@H](NCC)c1coc2ccccc12	135412264	GXDWCQJDVYXZEM-OAHLLOKOSA-N	245.366	4.664	0	10	BJAE	
CCCCCCN[C@@H]1CC[C@@H](C)c2ccccc21	136955198	PNEKYIMGKMTHSG-RHSMWYFYSA-N	245.410	4.795	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCC[C@H]1CNC(C)(C)C	155442273	MSHTYHRCGMNECO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@H]1CCCCC[C@@H]1CNC(C)C	155821918	JWDKOBORCSTDFS-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)c1cccc(C)c1C	163530221	ZNADMQXDEPAWHZ-XJKSGUPXSA-N	247.426	4.636	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@H](C)CC(C)(C)C)c1	164142200	YGSAWIITRGDRCV-AWEZNQCLSA-N	246.394	4.949	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H](C)CCC	167828763	WBBXGVDVVLSTDL-QWHCGFSZSA-N	212.377	4.598	0	10	BJAE	
CC(C)[C@H](N[C@H]1CCCC[C@@H]1C)c1ccccc1	216407490	QCBFPRLZDFUENU-XIRDDKMYSA-N	245.410	4.552	0	10	BJAE	
Cc1cc([C@@H](C)Nc2c(C)cccc2F)c(C)o1	224963074	VCJVAICUGZTMCB-LLVKDONJSA-N	247.313	4.517	0	10	BJAE	
Cc1cccc([C@H](O)C[C@@H](C)CC(C)(C)C)c1C	229347364	HAJZGHXKLFWNCL-MLGOLLRUSA-N	248.410	4.799	0	10	BJAE	
c1cc(C2CCC2)cc([C@@H]2Cc3ccccc3N2)c1	229630563	DDFYOAVDIAVIDV-SFHVURJKSA-N	249.357	4.663	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@@H](C)C(C)(C)C)C1	230774883	QDKXGTDFSUFXEN-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
C/C(=C/Cl)COc1ccccc1C(C)(C)C	232012200	SYMVJOMNHFVWOY-LUAWRHEFSA-N	238.758	4.506	0	10	BJAE	
CCCC1(CN[C@@H](CC)c2ccc(C)cc2)CC1	233031424	NXSYFKXWBMQZKR-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
C/C=C/[C@H](C)c1ccccc1NC(C)(C)C	238051737	ZWVYOHFENZOJSB-LZGFCCKTSA-N	217.356	4.577	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1NC	250842572	YOEYHHBPNOUCCV-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CSc1cccc(N[C@@H]2CC[C@H](C)[C@H](C)C2)c1	251957603	XILNQYPBDNWIKB-OUCADQQQSA-N	249.423	4.645	0	10	BJAE	
CCC(F)(F)c1ccc(-c2ccccc2)cc1	258987043	KPZDYJDOAVJDQY-UHFFFAOYSA-N	232.273	4.855	0	10	BJAE	
CCCC[C@H](CC)Cc1cccc2c1CCCN2	300115086	BMQUQHIHTUVWGP-AWEZNQCLSA-N	245.410	4.804	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)CCC(C)(C)C	300807849	FMCVMCQJDXYPKK-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc2ccn(C3CCCCCC3)c2c1	301847083	OQXQHHYWHPCDTL-UHFFFAOYSA-N	227.351	4.845	0	10	BJAE	
C1CCC(CC[C@H]2CCCC[C@@H]2CNC2CC2)C1	302261519	OOTYHYQUIVFFFC-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CSc1cc2scc(Cl)c2cc1S	307356573	YWKWDCUMSYDDDC-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CC1CCCCC1	308038709	XSBSNGFBSSZGMT-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1cccc(C)c1	308114018	RXAQKWKUIMKMIR-CQSZACIVSA-N	232.367	4.640	0	10	BJAE	
C[C@@H]1CC(n2ccc3ccccc32)C[C@@H](C)C1	309942197	LIPZVCVKBLVCDM-STQMWFEESA-N	227.351	4.639	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCCCC1CCCC1	310293119	KFQJMZACHWQFNA-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(N[C@@H](C)CCC(C)(C)C)cc1	310299469	NOQDZKOIYPYWPO-ZDUSSCGKSA-N	233.399	4.876	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)c1cc(C)ccc1C	310845889	OOMSWXYCXQVFAN-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC(C)(C)CCCNc1nccc2sccc12	313458620	IVULHNXULQUMLW-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCCNCC1(CCC)CCCCCCC1	317479935	KTXFQLUKGNIOHU-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
CCCNC[C@@](C)(CC)C/C=C/c1ccccc1	317793578	VIMNUURHRHQVJJ-KQPPXVQYSA-N	245.410	4.506	0	10	BJAE	
CC[C@H](NCCCCCC(C)C)C1CCCC1	382790257	OODSUHCMWZKFKD-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H](C)CC(C)(C)C	384501350	CLWHSOFDHNBHGL-QWHCGFSZSA-N	227.436	4.616	0	10	BJAE	
Cc1ccc(OCCC2=CCCCC2)cc1C	385257499	XWSOOEUOGZLALO-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCN[C@H](c1cocc1C)C1(CC)CCCC1	385539512	VKSZSEWJEMIMOF-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
Cc1cccc(N[C@H](C)CC(C)(C)C)c1Cl	395030480	GYBMDMBUUAYVOG-LLVKDONJSA-N	239.790	4.885	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CC12CCCCC2	395667117	JOPFOCHIZBEVTN-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCOc1cccc2sc(CC)c(Cl)c12	396184211	BDMWAWNZXNPCHP-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1c(Cl)ccc2scc(CC)c12	396188249	JXSMPVISLOVALB-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc2ccsc2c(C)c1C(F)F	396232122	BMOCIZXACODWAI-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCN[C@@H](c1cc(C)ccc1C)[C@H](C)C(C)(C)C	399149088	FKZBHGJWUQZUJZ-GOEBONIOSA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](CC2=CCCC2)C1	401169118	NACURSZWQQPPLU-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@H]2CC=CCC2)cc1	402411898	SMPILHASTOQHDT-YOEHRIQHSA-N	244.378	4.590	0	10	BJAE	
CC(C)(C)[C@@H]1Cc2ccccc2N(C(C)(C)C)C1	616671965	GNBICUKOXZNKTA-CQSZACIVSA-N	245.410	4.510	0	10	BJAE	
CCCC(CCC)[C@@H](CCCC1CCC1)NC	688369413	QJUINIDNGNXHPE-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC1CC1)CCC(C)(C)CC	688446596	BTOINCANPZUITG-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCCC(F)F)NCCC	689057563	KJRZDCKNJSWNPR-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
C1=C[C@H](Nc2cccc(-c3ccccc3)c2)CCC1	689671826	VOJOYJOFBUVJOE-KRWDZBQOSA-N	249.357	4.874	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C)CC1CCCC1	689833048	XLNKCTNCVCGHJJ-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCCC1=CCCCC1	691147226	HOORDHZIEJOLKZ-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H]2CCC23CCCC3)C1	693901327	RHKCTNGWJGCVRA-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC(=O)[C@@H]1CCC[C@H](C(C)(C)C)CC1	695058802	BHQFBMOVPHFESX-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H](c1ccccc1)C(C)C	695097839	IBBHQAGCRZTXRN-HOCLYGCPSA-N	247.426	4.798	0	10	BJAE	
C1CCCC(NC[C@@H]2CCCC3(CC3)C2)CCC1	695689188	KOLRUHCTFHVYMN-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H](NCC1CCC2(CC1)CC2)C1CCC1	695726490	AJQZPNZJVSXBBA-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CCC(C)(C)CC)NCCC	696633823	MEIWEASFQSQPGE-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)c1cc(C)ccc1C	696681326	BTCJRORKIHGCGR-KRWDZBQOSA-N	248.410	4.727	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H](C)C1CCC1	697853129	YWUQBDIZOPPEIG-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)C(C)(C)[C@H]1CC[C@H](C)CC1=O	701320252	ZTJWMRJDZSFOHC-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1cccc(C(C)C)c1	701563180	ZBIKDNWGEZDDFA-OAHLLOKOSA-N	233.399	4.507	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@@H]1C[C@H]2CC[C@H]1C2	704907109	ZGOSDTQJJXODHR-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](NCC[C@@H]1CC=CCC1)c1ccsc1	706864574	YFQMMWACPAIJNB-HIFRSBDPSA-N	249.423	4.535	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C23CCC(CC2)CC3)C1	710262494	JKBZNBLRDAHLHC-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCC1CCC1)c1ccccc1C	711145540	AXNVLXXHBKMZIS-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCCCCC[C@@]1(N)CC(C)(C)CC[C@H]1C	713040693	YYXRBPXBEMJMCD-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
C/C=C/C[C@H](CC)c1c(F)cccc1Cl	714543644	LVFCBMWDGYMIJI-GFAPAMAISA-N	226.722	4.939	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@@H]1CCC12CCCC2	717502218	NGCKJFCCPOQINT-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC(C)(C)C[C@H]1N	717528970	QEGKKTGQTUCRMZ-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC(CC2(CN)CCC=CCC2)CC1	718044158	DQKDDMBQTLJNDC-UHFFFAOYSA-N	249.442	4.668	0	10	BJAE	
CCc1ccc([C@@H](C)NCCC(C)=C(C)C)cc1	718553755	QFVFUGYZFLFQEI-OAHLLOKOSA-N	245.410	4.646	0	10	BJAE	
CC(C)NCC1(C[C@@H]2CC23CC3)CCCCCC1	722882891	IOVBZVLCKUKRSR-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@H](Nc2ccc(C3CC3)cc2)C1	821906178	ODBRIONNKMAFNI-XNJGSVPQSA-N	243.394	4.801	0	10	BJAE	
C=C/C=C/CCSc1nc2ccccc2s1	1188184852	MLBAVEQFNYVWKB-ONEGZZNKSA-N	247.388	4.521	0	10	BJAE	
C1CCC(CCCN2CCCC[C@@H]2C2CCC2)C1	1619799832	QXFORNDNFCPDCJ-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H](CC)COc1ccc(Cl)cc1F	1905445800	RJWSZXKNOBMFDC-SNVBAGLBSA-N	244.737	4.684	0	10	BJAE	
CCC(CC)[C@@H](C)NC1CC2(CCCCC2)C1	1912697588	KSPJNVPMVWFNOS-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC[C@H](CN[C@@H]2CCC3(CCCC3)C2)C1	1916423626	LTIVJVRHSIGWTI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C(=O)CC[C@@H]1CC1(C)C)c1ccccc1	1921419059	KGYRLHVGEPCMII-CABCVRRESA-N	244.378	4.576	0	10	BJAE	
CCCC1CCC(O)(CC[C@@H]2CC2(C)C)CC1	1921536045	ILTWJPSXIVCJJO-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]([C@H](C)C1CCCCC1)C(C)(C)CC	1924079245	UBBZENXYYHWYSK-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)C[C@@H]2CC=CCC2)c1	1925501439	QEPKBEDFXDYYOJ-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@@H](C)C1CC1	1925893307	VZIUBWDLQGDYAG-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H](C)[C@H](C)CC	1926151089	AOHNJTAJTAMFMT-IIAWOOMASA-N	241.463	4.863	0	10	BJAE	
CCCc1cccc(C(=O)CC(CC)CC)c1	1926212847	OXJBOWSHODVSOX-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
Clc1ccc(CC[C@H]2C=CCCC2)cc1	1932607102	OMJAAYWODNTVJA-LBPRGKRZSA-N	220.743	4.629	0	10	BJAE	
FC1(F)CC[C@H](CC[C@@H]2C=CCCC2)C1	1932607202	PKIRDFWBCLNMEO-NEPJUHHUSA-N	214.299	4.558	0	10	BJAE	
C=CC=CCC[C@H]1CCC2(CCCC2)C1	1934209211	KCFZROBTMPQERT-AWEZNQCLSA-N	204.357	4.869	0	10	BJAE	
CN[C@@H](CCC1(C)CCCCC1)C1CCCC1	1940414455	JLWLKTJCRRXWAC-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H](C)C2CC2)cc1	1940723002	NKMABWZNBJUOQJ-QWHCGFSZSA-N	232.367	4.625	0	10	BJAE	
CC(C)CCCCCC1(F)CCC(C)(N)CC1	1940834965	SJWKBTALNRHVJI-UHFFFAOYSA-N	243.410	4.593	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)C(C)(C)C(C)(C)C	1940877074	ORDHEXMPDXCJCC-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
CCN[C@H]([C@@H](C)C(C)C)[C@H](CC(C)C)C(C)C	1941265937	YFFQEUVBRNMISC-ARFHVFGLSA-N	241.463	4.575	0	10	BJAE	
CC[C@@H](C(=O)c1cccc2ccsc12)C(C)C	1941266421	FPLZLAZIJGQUJX-GFCCVEGCSA-N	246.375	4.766	0	10	BJAE	
O=C(CCCCCC1CC1)CCC1CCCC1	1941582410	WHEXHGVHCKJNFV-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](O)C1CCCCCC1	1944624555	ZXQHEPFOQHTRBI-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@H](N)C(C)(C)C1CCCC1)C(C)(C)C	1944643229	WFLKYLANCOXDCC-JSGCOSHPSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CCCCC12CCC2	1947901791	UCOWASHTNCIYJB-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCC(F)(F)CC)NC	1947993431	NRRKGSRMCGHKIM-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCCCCC[C@@H](CCC(F)(F)CC)NCC	1947994320	WMLSRRMRKTWQGL-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
CCC(C)(C)C[C@]1(O)C[C@H]2CCCC[C@]2(C)C1	1948593806	USJSYJOBTITING-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CC1(C)CCCC1	1948982156	KRFCNBCFAPBNPU-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@H](N)CCCCCC2CC2)C1	1949077093	WSLLCVACLTWQHY-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1CCC(C)(C)C1	1949552717	TUKSNEPUBIWTEB-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](O)CC2CCCC2)CC1	1950912962	CNCMDKNFZZWQDO-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@]1(CNC(C)C)CCC[C@@H](C)CC1	1950924549	LXEDCJOLCGCKIU-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCCCN(CC=Cc1ccccc1)CCCC	1968279302	TTWJFBWTJAOFAJ-UHFFFAOYSA-N	245.410	4.602	0	10	BJAE	
CC(C)Sc1ccccc1N[C@H](C)C(C)C	1970345002	VWNFKQNGYBHBND-GFCCVEGCSA-N	237.412	4.644	0	10	BJAE	
CCCCN(C[C@H](C)C(C)C)C1CCCCC1	1970379212	LJDQYQQQNFNWCS-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCCC1CC(NCC(C)(C)CC(C)C)C1	1971514414	QIZOUVACJCCVKH-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CCCC(C)C)NCC	1978531524	PBAQOHQUXUNFOA-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)[C@H](C)CC(=O)c1ccccc1Cl	1980684569	IIHPBBDAXXZIAD-GHMZBOCLSA-N	238.758	4.595	0	10	BJAE	
CC(C)CCCCC(=O)c1ccccc1Cl	1980684914	LMSWWQFHWZUGFC-UHFFFAOYSA-N	238.758	4.739	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CC[C@H](C)CC1	1989837544	UTKCDYXYXWPKGZ-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H](C)C(C)(C)C	1990092976	GGZWVWFQLSWBBS-UKRRQHHQSA-N	228.420	4.780	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)CCC(C)C	1990093548	MFKNTCKDQOHNNB-GJZGRUSLSA-N	227.436	4.760	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1cscc1C	1995265239	YKSDAPPZXGUBSS-FZMZJTMJSA-N	239.428	4.663	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@@]1(C)CC=CCC1	1997546932	RKWAUNLHFCNCPI-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(N)CCCC(C)(C)C2)C1	2000063945	WTDVXKDDYPTANG-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@]2(C)CC=CCC2)C1	2000094316	NIODNKUHYALCSS-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@H](C)C(C)(C)C	2000295323	GODTWTVJZNQZMZ-YDHLFZDLSA-N	236.399	4.620	0	10	BJAE	
CCC(CC)(CC)[C@@H](CC[C@@H]1CC1(C)C)NC	2000324186	QFCBXFYRFJKDNE-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCCN(C)[C@H](C)C1CCC(C)(C)CC1	2002969444	ZHSFPDBAJBWFBV-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@]2(C)C=CCCC2)C1	2003327776	YMAXDDKCQXXMEG-IJEWVQPXSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CC=C1CCCC1)c1cccs1	2007943304	CUOFUIITRANYNC-AWEZNQCLSA-N	249.423	4.679	0	10	BJAE	
CCC[C@]1(C[C@H]2CCC[C@H](CC)C2)CCCN1	2009058023	ACRYPOBWTZBAEY-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)CC(CC)(CC)C1	2009305704	WBKQJVVOEMTAMP-CQSZACIVSA-N	239.447	4.891	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1CC(CC)C1	2009612449	WEJAIBFVSJZVRS-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H]1CCCC[C@H]1CNCCC	2009616737	LPMMYXFIGOOCNB-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
C/C=C/CCC[C@]1(CNC(C)C)CC[C@@H](C)C1	2009628815	POMWODYISWWVOH-QDNWOOLPSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(N[C@H](C)C2CCCCC2)C1	2009713401	ZWPIXIVXTVIPQG-VQCLRJIVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H]1NCC[C@]1(CCC)C1CCCC1	2009766965	CACZULRETBFGES-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C[C@@H](N)C1=CC[C@@H](C)CC1)C(C)(C)C	2010627099	ZNVHSELEOZRNRP-BPLDGKMQSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC12CCC(CC1)CC2	2012804366	RDLLQBZPGCKCSP-VQCLRJIVSA-N	236.399	4.742	0	10	BJAE	
CC[C@](N)(CCC(C)C)CC[C@]12CCC[C@@H]1C2	2013270941	NHNJRMHVRTZJCJ-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C[C@H](C)C(C)C	2015275979	UUEYXXBPHQAVKF-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)CC1(N)CC(C)(C)CC(C)(C)C1	2015394006	JXRGNUMNFSZIOA-ZDUSSCGKSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@H](CC2CCCC2)NC)CCC1	2015639669	JGUVOAOMNGMWCW-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@H](N)C(C)(C)C2CCC2)CCC1	2015639755	KCOXOJXBEDPDGR-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](NC)C(C)(C)C(C)C)CCC1	2015642923	VZSODKFHFVNXRI-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](Nc1cccc(C(C)C)c1)C(F)F	2015820921	MHGYJGONXPYICS-CYBMUJFWSA-N	241.325	4.656	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@@H]1C)C(C)(CC)CC	2017246582	SOTOOZPNQWYIHS-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)[C@](C)(O)C1CCC(C(C)C)CC1	2017480067	KJUWTPIQGKUJRX-GPANFISMSA-N	238.415	4.556	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(O)CC2CCC2)CC1	2017653598	VKFCHJJWUXZVJU-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC1(NC[C@H]2CC[C@H](C)CC2)CCCCCC1	2017723555	UMFYREHOWNWNRZ-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@H]1CC[C@H](CC)CC1	2017728058	HCSKEOVIBFRLFK-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCCC(=O)C2)CC1	2017774712	RVZBXIQOPBJLAE-KKUMJFAQSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1CCC[C@H](C)C1	2018128449	ARBVCOMZDFMKBF-ARFHVFGLSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@@H](CC)NC1CCC(C)(C)CC1	2018139386	RIRVFPJTSAXPTE-CQSZACIVSA-N	239.447	4.904	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H]1CC[C@@H]1CC(C)C	2019420809	ITNHDGJLMOTQDS-XHSDSOJGSA-N	239.447	4.568	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccccc1C1CC1	2021026213	NJTDMTRQGYHRSZ-SWLSCSKDSA-N	229.367	4.555	0	10	BJAE	
CCC[C@H]1C[C@@H]1C[C@@H](O)[C@H](CCC)CC(C)C	2022459765	LATKYCXJXQOGHJ-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)CCCCC(C)(F)F	2023289403	DQIKTFNOTDKHGU-QWHCGFSZSA-N	249.389	4.602	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)CCCC(C)(F)F	2023304422	NWBYJRUVVOMMRE-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1CCC(C)(C)C1	2026081129	JHGAZCMQDIRQDT-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@H](C)CCC(C)C	2026166878	MXTCYUIPGDYHGJ-XHSDSOJGSA-N	241.463	4.993	0	10	BJAE	
Cc1cccc(-c2nc(C3CCC3)cs2)c1F	2026542016	ZPEUEHKJUXWTPD-UHFFFAOYSA-N	247.338	4.525	0	10	BJAE	
CN[C@@H](CCC1CCC1)c1ccccc1C(C)C	2027517429	HDEYSOWDUJUWFU-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](NCCC[C@H]1CC1(C)C)c1ccccc1	2027823237	VPKOXZPRSXDROC-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
CC[C@](N)(c1cccc(C2CCC2)c1)C(C)(C)C	2028556688	GIWOGPDHANCRDE-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)c1cccc(C2CC2)c1	2028558068	SVSZKUFKAZJDQO-WBMJQRKESA-N	245.410	4.636	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@@]1(C)C[C@@H]1C	2028873215	VHSKXIBVAZEVFX-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)CCC(C)(C)C	2028928876	BCAUKGOAZCMOAI-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1)C1CC1	2028961733	MRPFKPCIBSHJSM-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C(=O)CCC1CCCC1	2029600486	MHPCFHHCQOTCBV-DZKIICNBSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C(=O)[C@@H](C)CCC(C)C)c1ccccc1	2029839449	ZLXRAGSFPDHVKD-GOEBONIOSA-N	246.394	4.822	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)c1cc(C)cc(C)c1	2029965967	DWNGHUAKFFZRII-XJKSGUPXSA-N	247.426	4.780	0	10	BJAE	
CC1CC(C(=O)c2ccc(C3CCCC3)cc2)C1	2031746427	PXODSAGKZRLUND-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC1(C)C[C@@H]1C(=O)c1ccc(C2CCCC2)cc1	2031752593	PORAYCXWVQZRLF-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CC(Cn2ccc3ccccc32)C[C@@H](C)C1	2031800703	HHXMRGLYPDUEJM-KBPBESRZSA-N	241.378	4.714	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C[C@H]2CC2(C)C)cc1	2032362007	FDGZRDGBDJXKQR-VBNZEHGJSA-N	245.410	4.636	0	10	BJAE	
CC=C[C@@H](C)N[C@@H](CCCCC)c1ccccc1	2034980180	URBFEUXGLGWALW-WBVHZDCISA-N	245.410	4.862	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC(C)(C)C1=CCCC1	2035410851	PFLDQDMIHOSVSF-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NC[C@@H]2C=CCCC2)CC1	2035566278	TZHHZADICLHTQH-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@@H]1C=CCCC1	2035575012	CTQDGLNAHSYKSN-RHSMWYFYSA-N	244.378	4.590	0	10	BJAE	
CCCCCC[C@@]1(CNC2CC2)CC12CCCC2	2036107617	RGSIBNDJALJLNW-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)[C@]23CCCC[C@H]2CCC3)C1	2037695231	QWQAALRFKHPOGW-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CC1C[C@H]2C[C@@H]2C1	2038326887	IQSOTILFAFVFBJ-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC2(C1)CC(N)(CCCCCC1CC1)C2	2039461312	CSOQHXABXVZVAW-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC2(CC([C@H](N)CC3CCCCC3)C2)C1	2039462779	XAYHEPQJLWZXKJ-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCC1(C(=O)c2ccccc2C2(C)CC2)CCC1	2039724920	QSDZVANQGPUXTR-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@]1(N)CCCC2(CCCCC2)C1	2040767845	YATUFQGCGPCDDH-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)[C@H]1CC=CCC1	2042019725	QRCFIIMYMRTUHA-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC[C@]1(C)CC=CCC1	2042067820	PGVHHMZLMFLNKT-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CNC(C)C)CC=CCC1	2042091101	IKZFDEDYLNQIHH-QGZVFWFLSA-N	249.442	4.847	0	10	BJAE	
Cc1ccc(OC[C@H]2CCC=CCCC2)c(C)c1	2045312801	QYMIAXKDFQJEKT-INIZCTEOSA-N	244.378	4.819	0	10	BJAE	
CCC[C@@H]1CCCCN1C[C@@H]1CCC=CCCC1	2045313689	BKLAZRUTEOQQEF-IAGOWNOFSA-N	249.442	4.778	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1C[C@@H]1CCC=CCCC1	2045328833	IPHJTQLALFKSQB-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2045982476	SVKXCEIHNVKMSL-LUKYLMHMSA-N	249.442	4.524	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2CC23CCCCC3)C1	2047016011	MGILCWWLEFMTRN-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2047345433	JTMPDJJZDSMFTA-KDQUWOQTSA-N	248.410	4.598	0	10	BJAE	
O=C(CCC1CCCC1)CC1[C@@H]2CCCCC[C@@H]12	2048472149	WJSVDGLXBSXQCA-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(F)c1N[C@H](C)[C@@H]1CCC[C@@H](C)C1	2049540076	KYKVSEHBOXEDQC-MRVWCRGKSA-N	249.373	4.761	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2CC3CCC2CC3)C=CCCC1	2050001213	WBXLHLGUIJAKRW-UMPYDWHISA-N	246.394	4.518	0	10	BJAE	
Cc1ccccc1[C@H](O)CCCC1=CCCCC1	2050428495	VXPLBNHFIIDTMY-QGZVFWFLSA-N	244.378	4.699	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)c1ccc(C)cc1	2050439152	RYPNRQJVASRCIY-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)C2(C3CCC3)CC2)CC1	2051910442	HVRGAODBGQWTLS-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC1(CCN[C@@H]2CCC[C@@H]3CC[C@H]32)CCCCC1	2052276876	LBDWIUIPPANPFZ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1c(Cl)cc(C(F)(F)F)cc1C(F)F	2054894093	LWYVJPQORVNNFB-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N1CCCC[C@H]1C1CCCCC1	2055271137	REMKTUYEDMQUQI-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CCC[C@@H](C(C)C)C2)CCC1	2055553388	YOYIUSDAPITYEO-BRWVUGGUSA-N	249.442	4.680	0	10	BJAE	
FCc1ccc(NC[C@H]2CCC=CCCC2)cc1	2055637935	STJLWCWFSRSZAC-HNNXBMFYSA-N	247.357	4.705	0	10	BJAE	
Cc1cc(F)ccc1C(=O)C1(C)CCC(C)CC1	2056540187	WOYRCEOHGHETRF-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2056873630	PEESZBRNARXJQV-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@](N)(C=C1CCCCC1)C2	2056912020	UXZUVIYWGISPCB-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
CC=CCCC[C@@H](N)c1ccccc1CC(C)C	2059254247	YAMYFPNMPIBKSD-QGZVFWFLSA-N	245.410	4.631	0	10	BJAE	
CN[C@H](CC1=CC[C@H](C)CC1)CC1CCCCC1	2060931482	ZXCQHOVIZMNXLI-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(N)CCCC(C)(C)C2)CC1	2061121297	FGWIFUBHSUJOAH-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@H]1CCCCC[C@@H]1CNCC(C)C	2061562351	CGELMMKAPLJCSI-DLBZAZTESA-N	249.442	4.550	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)CC[C@@]12CCC[C@H]1C2	2061603177	RQOGIGVOZYBUAA-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@@]23CCC[C@@H]2C3)CC1	2061605315	FOKWSHGLFQBLRG-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CCCC1(CN[C@H]2CCCCCC23CC3)CCC1	2062022141	AYUSUYLYIPTUBQ-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](CCCC1CC1)C1(CC2CC2)CCC1	2069516152	WYGLRYDBTNPNQV-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CCC(C(=O)C[C@@]23CCC[C@H]2C3)CC1	2070921507	JQJYAGKCPNVWRJ-NDTCATRNSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(CC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CCC1	2071917427	KQXUDUKLZORYKI-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc([C@@H](O)C2(C(C)(C)C)CCC2)c(C)c1	2071969300	QGQUURZHNUMDBE-OAHLLOKOSA-N	246.394	4.553	0	10	BJAE	
CCCCC[C@@](N)(CC)c1cc2ccccc2o1	2073340142	DOEDSGNVBOUPOD-INIZCTEOSA-N	245.366	4.577	0	10	BJAE	
CN(CCC1=CCCCC1)[C@@H]1CCCCC1(C)C	2075148039	YUIPDXQNJLADJX-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCCN(CC1CCC=CCC1)C1CCCCC1	2076584782	JACLQNGEGDYVIZ-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CCCCc1ccc([C@@](N)(CC)C(C)(C)C)cc1	2078003462	MTFLYPCJTXRIAJ-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC1(C)C[C@@](C)(CC[C@@H]2CCCC3(CC3)C2)CN1	2078855624	GEPVZIKEVDIHEX-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1C[C@H]1C1CCC1	2079331790	GOYDMUPKTNMQQC-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2C[C@@H]2C2CC2)CC1	2079336673	JZGCVXBDBVOQES-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CCC1(C(=O)C[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079861020	FEKNHYGZEOFGLH-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CNC[C@@]1(CC=C2CCC2)CCCC(C)(C)CC1	2081684880	YMGUOGSIZLUIMY-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](C(C)(C)C)[C@]1(C)CC=C(C)CC1	2215811861	FVWGVPBWPLYSGL-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C(C)(C)C)[C@]1(C)CC=C(C)CC1	2215811862	FVWGVPBWPLYSGL-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@H](C)[C@@H](C)CC	2217139772	XBCJQUBBLFFXEW-ZJIFWQFVSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218332521	OIRMNDKEAPFOKE-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C/C=C/c1ccccc1	2219081640	JIFBAKWXRPHLQE-NSBLKUNKSA-N	245.410	4.504	0	10	BJAE	
CC1(C)C2CCC1([C@@H](N)CCCCC1CC1)CC2	2220047598	XHDLOTFXELCTSG-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1(C)CC2(CCC2)C1)C1CCCCC1	2221013248	HZACHIWZUNMPNC-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CNC2CCC2)(C2CCCCCC2)C1	2223551936	UCIFWWIRGXMKGQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC2CCCCC2)C=CCC1	2223590304	VZIVYYBYRNTGRF-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(CC)[C@H](NC)c1ccc2occc2c1	2224146178	KUJFSZWVCLLPCI-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CCCCCC(C)C	2244782005	LEDGYXXRVIBXCO-CABCVRRESA-N	227.436	4.747	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C[C@H]1CCCCC12CC2	2246614772	ODYXAVALKLXFPT-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CC1CC2(CCCC2)C1	2246767173	KXWLLZZFUBUISC-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1(N)CCC(C)(C)CC1	2247161418	ATPWNYDAJZAJIQ-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC1([C@H](O)CCCC[C@@H]2C[C@@H]2C)CCCC1	2247165682	RNRAQKPAHUNSSN-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@@H]1CCCC12CC2	2247664416	GTMNUBLVFCVOGQ-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
Cc1ccccc1OCCCCC[C@@H]1C[C@@H]1C	2248813851	IVFWBKIHWMWWKM-LSDHHAIUSA-N	232.367	4.590	0	10	BJAE	
Cc1ccc(OCCCCC[C@@H]2C[C@@H]2C)cc1	2248814673	MOJIBEBGGOTVNY-LSDHHAIUSA-N	232.367	4.590	0	10	BJAE	
CCC(C)(C)CCNc1cc(C)c(C)c(C)c1	2249486938	DGKUPHUPWWKKKF-UHFFFAOYSA-N	233.399	4.850	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCCC1(C)CC1)NCC	2250360084	GLLKOJMXCUNBJC-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](N)(CC[C@H](C)CCCC(C)C)C(F)F	2250516390	IDXQMDUIOIYMMT-TZMCWYRMSA-N	249.389	4.602	0	10	BJAE	
CCCN[C@H](CC)CC1CC(CC(C)(C)C)C1	2251501004	HIMGQUUZJOOTKT-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](CCCC2CC2)C1=O	2251707519	MFYYSOLSDXJWQH-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)[C@](N)(CC[C@@H]2CCC[C@@H](C)C2)CCC1	2253918148	OVXINORUXRPUMZ-XOKHGSTOSA-N	249.442	4.811	0	10	BJAE	
C[C@@H](N(C)CC1=CCCCC1)C1(C)CCCCC1	2255055484	KSYOVMKZTHCXNO-OAHLLOKOSA-N	249.442	4.778	0	10	BJAE	
CN(CC1=CCCCC1)[C@H]1CCCC(C)(C)CC1	2255059743	YMCCQSGFAKTKFR-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C1(C)CCCC1	2255142413	UERHGJPQAURPDG-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCCC23CC3)cc1F	2255333571	SRYJLEBUNQPDEI-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC=C[C@@]1(C)CNC(C)(C)C1	2257251395	FUKKLUKDJOEFRK-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(NCCCCC[C@H]2C[C@H]2C)c1C	2257318590	DVMAVRAMSAGTEY-ZBFHGGJFSA-N	245.410	4.932	0	10	BJAE	
CCC[C@H](CC)CNCc1cc(C)cc(C)c1C	2259469184	GGXPCOXGFFCZBC-INIZCTEOSA-N	247.426	4.528	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@@]12CCC[C@@H]1CC2	2260584042	SMBFYOKRXUCEBE-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)C(=O)C(CC1CC1)CC1CC1	2298880093	ZGMWCTTZQNHLAX-CQSZACIVSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@H]1CCCCCC[C@@H]1NC	2300687045	XLGGFILYFQAWNP-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@H]1CNc1cc(C2CC2)ccc1Cl	2300691905	ZQQVRYYDBVEMGA-LBPRGKRZSA-N	249.785	4.675	0	10	BJAE	
CCCNC[C@](C)(CC)CC1CCCCCC1	2301189251	RTRMZLPCMOGZSG-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@H](C)N(C)CCCC1=CCCCC1	2302353624	IFTGMGGXFDIOPW-OAHLLOKOSA-N	237.431	4.778	0	10	BJAE	
CCCN[C@H](C)CCCCCC1=CCCCC1	2302354384	QPOZHYRSJGFJOP-OAHLLOKOSA-N	237.431	4.825	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@](C)(N)C2CCCCC2)C1	2302751485	TZDXCLOSZQUWFZ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@]1(C2CC2)CCCCCN1	2307819808	PZAFSZYBFFQANW-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@H](CC(C)C)C[C@@H](CC)CCC	2307832726	VZFTTYVQPXKFMW-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCC[C@@H](CC)C[C@](O)(CC)C1CCCCC1	2307836654	ARXKBFOTZWDBLT-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H]1CCC[C@@H]2C[C@@H]21	2310191543	GVALMKBJFWVQPH-ONLIHJCWSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CCC)c1ccccc1	2311564850	KYGKAVCGZMGVAI-IKGGRYGDSA-N	245.410	4.554	0	10	BJAE	
CCC(CC)CC[C@](CC)(CO)c1ccccc1	2316248710	RQDJKWDHHOVXII-QGZVFWFLSA-N	248.410	4.543	0	10	BJAE	
CC(=CCNCC[C@H]1CC12CC2)CCCC(C)C	2316497666	UHKPXZVOYDEZGX-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)c1ccccc1F	2316507886	GMQFDXKMAWXSKC-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2316535032	FXFLFPQYNDKBAO-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316744822	RQZYUUJSHBUEOC-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC1CC(C)(C(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316878062	KVBYCGZFQOXFEE-WHJSIAKGSA-N	248.410	4.598	0	10	BJAE	
CC(C)(CC[C@@H](N)CCC1=CCCCC1)C1CC1	2317913665	VPFUHSJWUVBXIS-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)[C@@]1(CCCC2=CCCCC2)CCCN1	2318544522	YWZCIBWWBSCCAS-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CC[C@H](NCCCC2=CCCCC2)[C@@H]1C	2318556496	AIKSUZUQTNZLJI-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H]2CC[C@H]2C2CC2)C(=O)C1	2319731699	WFBVQMRNKUSIKV-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C12CC(CC(C)C)(C1)C2	2321584997	SSWMKCULSJKORD-GTPINHCMSA-N	249.442	4.667	0	10	BJAE	
CC(C)CC12CC([C@@]3(N)CCCCC[C@@H]3C)(C1)C2	2321594415	DNDMNGJVQCMNSY-ZGRYLRDCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC=C2CCC[C@H](CCN)C2)C1	2321636597	KBMXSRXZRFSCAS-CVEARBPZSA-N	249.442	4.668	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1C[C@H]2CC[C@H]1NC2	2325606839	YHQFPKGUAVLSSU-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H]2C[C@H]3CC[C@H]2C[C@@]3(C)N)CCCCC1	2327773557	LOHDPULOULJDEE-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)CN(C1CC1)[C@@H](C)c1ccco1	2328098345	UZGRXCDDLQJJCK-KBPBESRZSA-N	249.398	4.631	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)c1ccc(C)c(C)c1	2328211632	AEPMHVDZCBNXGT-NVXWUHKLSA-N	248.410	4.727	0	10	BJAE	
Cc1ccc(NC2CCCCCCC2)cc1F	20545936	RWWQXKQGEJFZFS-UHFFFAOYSA-N	235.346	4.659	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@H]2CCCC[C@H]2C)c1	21505469	FSMHKHJMVWMIPA-VYDXJSESSA-N	245.410	4.533	0	10	BJAE	
CCCc1ccc([C@H](NCC)[C@H](C)CCC)cc1	35550363	HEBAYUYVZZOWTB-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1)C1CCCCC1	37202839	SUAJINHGEWXTPB-NSHDSACASA-N	237.774	4.721	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@H](C)C1	71084790	AZQRMHBIRWSHRT-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2c(C)cc(C)cc2C)C1	71117984	SVIVFENUKAXMOK-JKSUJKDBSA-N	245.410	4.993	0	10	BJAE	
CCCCCCC(C)(C)C[C@H](C)NCCC	82816895	ZDHGFJRGAYCULZ-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CS[C@H](C)CC	83498328	VVGKDXACYIHUPQ-OLZOCXBDSA-N	244.444	4.694	0	10	BJAE	
CCC[C@H](C)COc1ccc(C(C)(C)C)cc1	85151277	ITWKWRLDXQTHPL-ZDUSSCGKSA-N	234.383	4.799	0	10	BJAE	
CCC[C@H](C)CC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1O	85157411	HMMJAJDKVSTQAD-XQLPTFJDSA-N	240.431	4.636	0	10	BJAE	
CC1=C2C=C(C(C)C)CC[C@@H](C)[C@@H]2CC1	85826911	HLXDFKWNOTZIEI-RISCZKNCSA-N	204.357	4.725	0	10	BJAE	biogenic,in-vitro
CCNCCCCCCc1ccc(C(C)C)cc1	87741471	SGEOIRGIFJVXFH-UHFFFAOYSA-N	247.426	4.522	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1CC[C@H](CC)C1	88018687	LXBRCYNTJBMPHS-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](O)c1ccc(C(C)(C)CC)cc1	90484314	PMJXMPDCIJYUQI-MRXNPFEDSA-N	248.410	4.988	0	10	BJAE	
CCCC[C@@H](CC)CCC(=O)c1ccccc1	109653922	OAEGIHWZNMPCAG-CQSZACIVSA-N	232.367	4.866	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1C[C@@H]2CC[C@@H]1C2	109790833	MHQGLVNGDKPEED-XJKCOSOUSA-N	243.394	4.585	0	10	BJAE	
CC(C)(C)NCC1(CC2CCCC2)CCCC1	110201915	GTEJUIICGQLARH-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCCCCCC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2	126969367	XLMHRZUEQWRNAH-RRFJBIMHSA-N	236.399	4.742	0	10	BJAE	
FC(F)(F)c1cc2c(Cl)cccc2s1	140004443	OAGCYLCSIOECKY-UHFFFAOYSA-N	236.645	4.574	0	10	BJAE	
Oc1ccc(SC2CCCC2)c2ccccc12	156329107	FEEXYTKMAIVSAH-UHFFFAOYSA-N	244.359	4.580	0	10	BJAE	
CCCCCC(=O)C[C@H](C)CC(C)(C)C	164759631	DYENHQAOIXAMHN-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCCC(C)C)CC1	165689206	WJOOZYDVACYDTB-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	166020520	XDHNYMZGRJSEFU-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCC1CCC([C@H](N)CC2CCCCC2)CC1	203532804	SFJFYNRTJJBFEM-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCCC[C@H]1C(C)C	214917741	PPOHFMLMRQXLPU-JKSUJKDBSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(C(=O)CCC2CCCCC2)cc1F	224073278	KPNSYNHQIYRMQU-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@@H]1CCCC1(C)C	226906705	LWBDSGJYZYSLOI-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1sccc1[C@H](O)C[C@H](C)CC(C)(C)C	227919388	ZRXLLZYXXFLEQI-GXFFZTMASA-N	240.412	4.552	0	10	BJAE	
CCC(CC)C[C@H](C[C@H](C)CC(C)(C)C)NC	229164958	WPTNHDGEFYYNOI-ZFWWWQNUSA-N	241.463	4.863	0	10	BJAE	
C[C@H](N[C@@H]1CCC12CCCCC2)c1ccsc1	230169913	PYOWUWLRDPGMFP-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NC[C@H]2CC2(C)C)cc1	232765541	XEDFTQNPEAEPIB-CZUORRHYSA-N	245.410	4.507	0	10	BJAE	
CC[C@H](C[C@@H]1O[C@@H]1C)c1ccc(C(C)(C)C)cc1	251137670	ZVCKPFMAQGWCGJ-IOASZLSFSA-N	246.394	4.655	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCCC(C)(C)C)C1	300863498	MHVCNJUYMHGAGQ-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](O)Cc1ccc(C(C)C)cc1	302296238	DJZSXBZOCQUUCU-WMLDXEAASA-N	248.410	4.540	0	10	BJAE	
CCCC[C@@](CC)(C[C@H](C)CC(C)C)C(=O)O	304174421	MUEXIBRLCJRDBP-HIFRSBDPSA-N	242.403	4.730	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(C[C@H](C)CC(C)C)C1	305902752	BPJBNBUTSJMWRG-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](O)(CCCC(C)(C)C)C1	305915964	KFDIMHXWFMPFLJ-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CSc1cc2cc(Cl)c(S)cc2s1	306578494	MEFLLNPZQYWGRI-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1cc(Cl)c2cc(SC)sc2c1	306639078	GZEURPDCSYCHBT-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@H](NCC(C)(C)C2=CCCC2)C1	308752254	CIXJSGMWFLNXQK-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H](C2CCCCCC2)Nc2ccccc21	310679489	KMQVDCPUUZDZEA-GUYCJALGSA-N	243.394	4.945	0	10	BJAE	
CCc1occc1C(=O)CC1CCC(C)(C)CC1	310819618	BKZSTIZQBCZEEH-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
Cc1cccc([C@H](C)NCCC2(C)CCCC2)c1	311209575	KPHDEWOXOMSHPT-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
CCCNC[C@@]1(CCC(C)(C)C)CCC[C@H]1C	317744976	OFRSYDKINSSPMS-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H]([C@@H](CC)CC(C)C)[C@H](C)C(C)C	319604988	XSUHOEXXZCVTDF-PMPSAXMXSA-N	241.463	4.719	0	10	BJAE	
CCCc1ccc(N[C@H](CC)C2CCC2)cc1	322278498	NBTUMFGMFADGHJ-MRXNPFEDSA-N	231.383	4.630	0	10	BJAE	
CCC(C)(C)C1CCC(NC/C=C\C2CC2)CC1	379177083	NOKVMKLQXFNDKT-WAYWQWQTSA-N	249.442	4.537	0	10	BJAE	
CCC1(CNc2ccc(C(C)C)cc2)CCC1	380087388	UBZMSIUALJUHFQ-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@H](C)C1CCCCC1	381876023	MKKAYEPWOCOHDG-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CCC(CCC[C@H](O)C(C)(C)C)CC1	383564658	IVMZIFXDAABADR-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
O=C(CCC1=CCCCC1)c1ccc(Cl)cc1	384887769	WZEVMVQEENDLKO-UHFFFAOYSA-N	248.753	4.803	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cccc(C(F)F)c2)C1	386151128	IVKGOVKYNASNQZ-MFKMUULPSA-N	239.309	4.615	0	10	BJAE	
C[C@@H]1[C@@H](N[C@H]2CCCCC23CCCC3)CC[C@H]1C	386625598	NMDYXJFRRQEJSN-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCCC1(CN[C@@H]2CCC[C@@H](C3CC3)C2)CCC1	391776380	JXJXWWPKHPWRDK-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](C)NCC1(CCC)CCC1	391871038	GSSIHSLKJBXQKY-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@@H](C)C1)c1ccoc1	394129633	KTHCVPKGWCBIOZ-IJEWVQPXSA-N	249.398	4.537	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC23CCC3)c1Cl	394764544	PAYQBQMWOUOHOI-ZDUSSCGKSA-N	249.785	4.783	0	10	BJAE	
Cc1ccc(NCCCC2CCCCC2)cc1	395260107	ILKNVXDMBWSJBN-UHFFFAOYSA-N	231.383	4.767	0	10	BJAE	
CCCc1ccc([C@](O)(CCC)C(C)(C)C)cc1	395298458	ITPJJGRULLEATI-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
Cc1cc2cc(S)sc2cc1C(F)(F)F	396297466	HILFCYXPWYAAML-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@](O)(CCCC(C)(C)C)[C@H]1CC1(C)C	397592678	CMMBWUQKDIOZGW-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H](C)C1CCC1	398617063	CQGJKXBCNDPUQX-CYBMUJFWSA-N	232.367	4.625	0	10	BJAE	
Clc1ccc(NCCC2CCC2)c(Cl)c1	398789097	JUXRLCIVDOZBDT-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CCCCc1ccc([C@@H](O)[C@H](C)C(C)(C)C)cc1	399151855	JPELSMNUGFLRQK-BBRMVZONSA-N	248.410	4.745	0	10	BJAE	
CCc1cc(NCC2(C(C)C)CCC2)ccc1C	687270223	PBGSMSMAUASWLI-UHFFFAOYSA-N	245.410	4.796	0	10	BJAE	
Cc1cccc([C@H](C)N[C@H](C)CC2CCCC2)c1	689713893	CTJMCLXXXVKHFV-CABCVRRESA-N	245.410	4.614	0	10	BJAE	
C[C@@H](CC1CCCC1)Nc1cccc(C2CC2)c1	690109777	KXIINTDEGBGZOC-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@@H](C)C1CCC1	690204368	JSZKCSCNNDWVNS-ZDUSSCGKSA-N	245.410	4.720	0	10	BJAE	
CCCNCC/C=C(\C)C[C@@H]1CC2CCC1CC2	691700878	LCPGQZOOBOZGIR-KGOMGJGRSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](CC)NCCCC1CCCCC1	694059621	NBQUVOYHUBRFNR-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CCC12CCCC2	694472680	JVHDGZYRNXNIBP-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC(NCC2CCC3(CC2)CC3)CC1	695698283	DRJQHUCTDGTHEP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@H]2C2CC2)cc1C	696102220	BRBVIPKJOFPKDV-IRXDYDNUSA-N	243.394	4.684	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CO)C1CCCCC1	696825240	XLSGWORUBMJLCB-ZBFHGGJFSA-N	240.431	4.782	0	10	BJAE	
CC(C)=CCCc1cc2cccc(C)c2o1	697986127	FHLZBAKBIREEPA-UHFFFAOYSA-N	214.308	4.640	0	10	BJAE	
CCCCCCC(=O)[C@]1(C)CC[C@H](C)C1(C)C	699079509	CAEOZUSPBCHXNQ-BBRMVZONSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CCCC23CCCC3)C1	704445883	GJWSBPAEJZNYAG-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC([C@@]2(N)CCCC[C@@H]2C2CC2)CC1	704472004	BENKFIONWRFTDH-BNICSPFPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)CC(N)(CC(C)C)CC(C)C	704895745	MKUSFMQHNCJSIZ-AWEZNQCLSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@H](C)CC(C)C	704954160	DNPUHMUYORRAHN-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H](C)CC(C)(C)C	708257843	SYQZKPAVHJOKIM-OLZOCXBDSA-N	227.436	4.602	0	10	BJAE	
Cc1cc(F)cc(NC[C@H](C)CC(C)(C)C)c1	709106806	WALCLLSZVIXGHL-GFCCVEGCSA-N	237.362	4.618	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@]23CCCC[C@@H]2C3)cc1C	709115979	VLVKEHUMSMDFCZ-BFYDXBDKSA-N	243.394	4.684	0	10	BJAE	
C[C@H](N[C@H](C)[C@@]12CCCC[C@@H]1C2)C1CCCCC1	709157619	WFQZIUINYHDGBN-ABFRBSLYSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1ccccc1F	709210915	IJFMELAKJXIGET-TZMCWYRMSA-N	235.346	4.597	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H](C)CC(C)(C)C	709212303	NLMUGXUIMOKYQC-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
CCC[C@@](O)(C[C@H](C)C(C)(C)C)C1CCCC1	710744014	YFHDSUVUEBMVCB-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
C=C/C=C/CCCCc1ccc(Cl)cc1	713657977	GBHYZVFEJCBMCK-ONEGZZNKSA-N	220.743	4.795	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	714423395	KOIAWGQRZJKQDV-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCc1cc(Cl)c(OC)c(Cl)c1	714537005	VNKVDMGTBJEWBJ-ONEGZZNKSA-N	245.149	4.511	0	10	BJAE	
CCC(CC)C[C@H](O)c1cscc1C(F)F	717180791	SYLKYMAGIXOSEY-NSHDSACASA-N	248.338	4.545	0	10	BJAE	
CCC[C@H]1CCC[C@H](NC2CCC=CCC2)CC1	718052663	LGVBDYPZBGXOBG-RDJZCZTQSA-N	249.442	4.824	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1csc(Cl)c1	718626960	OCNJDOXMBVERJF-LLVKDONJSA-N	244.787	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CCC(C)=C(C)C)C1	718697898	FDZRSOQYIWAGLA-OWCLPIDISA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)C2(C)CCC2)cc1	720712160	ZZVHXUBBELTLTP-XJKSGUPXSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](C)c1cc2cc(C)ccc2nc1Cl	722209966	WCFNVROWMHDURM-JTQLQIEISA-N	233.742	4.710	0	10	BJAE	
CCCC[C@@H](N[C@H](C)CCC(C)C)C1CCC1	1181533723	AXFJLDLDXYSTNX-GDBMZVCRSA-N	239.447	4.760	0	10	BJAE	
CC(C)CCC[C@@H](C)NCC1CCC=CCC1	1207638799	JOUFVLYBFIUFJC-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)CCNC1CCC2(CCC2)CC1	1663165054	LOVUTUDCVOIKMB-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C1CCC(N[C@H]2CCC3(CC3)C2)CC1	1876378297	VIFXEOKYSBIFRX-NRXISQOPSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(F)c(C[C@@H]2C=CCCC2)c1Cl	1899585060	YSGLSZHXXCBXLS-LLVKDONJSA-N	238.733	4.686	0	10	BJAE	
CCCc1ccc([C@H](N)C(C)(C)CCC)s1	1900672270	OVARPULJMJEKDL-ZDUSSCGKSA-N	239.428	4.527	0	10	BJAE	
CCc1cscc1N[C@H]1CCC[C@H]1C(C)C	1902381288	LNDWNPAUZNFLLW-STQMWFEESA-N	237.412	4.547	0	10	BJAE	
CC1=C(C)C[C@@H](CCC(=O)C(C)(C)C)CC1	1902768480	OGJYGYRXCUKNOK-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C(C)(C)C(C)(C)C	1905436259	YLJMBVMLPWIUJP-OLZOCXBDSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@@]12CCCC[C@@H]1C2	1909921515	VBTWUUKBZQQTEK-FMKPAKJESA-N	236.399	4.598	0	10	BJAE	
CCCNCC(=C[C@H]1CCCC[C@@H]1CC)CC	1912094859	MQNUTDBDVJCIPL-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC(C)[C@]1(C)C[C@@H]1N[C@@H]1CCC2(CCCCC2)C1	1915855461	QQLGTVXFRSHQHP-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H]1CCCC[C@H]1CC	1919969003	FXFXPGZEFBSJJV-PMPSAXMXSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC12CCC2)[C@H]1CC1(C)C	1921488674	HFSPSMNWWAZESH-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@]1(CNC(C)C)CCCC12CCC2	1921585535	GTKZTCICVYEAFW-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@](C)(CNC)C1CCCCC1	1924109743	RLBCANJRVUZUCH-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCC(C)(C)C[C@@H](NC)[C@H](C)C1CCCCC1	1924148582	MNJXUOYIUKCOJB-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
FC1(F)CCC[C@H]1CC[C@H]1C=CCCCC1	1925848553	IKHLYQHUCBDQRL-STQMWFEESA-N	228.326	4.948	0	10	BJAE	
CCN[C@H](CC[C@@H]1C=CCCCC1)CC(C)C	1925892955	VCOWGFCJFIRYER-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C(=O)c1ccc(Cl)cc1C)C(C)C	1936211238	QMPBRPKRHNSEPW-GFCCVEGCSA-N	238.758	4.513	0	10	BJAE	
C[C@H](C[C@@H](N)CCCC1(C)CC1)CC(C)(C)C	1940862200	GYBXZHFQMHDUTC-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCCC(CCC)[C@@H](O)CCC[C@H]1CC1(C)C	1940881902	HSNHQFWWHXERSL-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC(C)SC[C@H](C)Nc1ccc(C2CC2)cc1	1941168357	YREFAMDYCKAXRK-LBPRGKRZSA-N	249.423	4.506	0	10	BJAE	
C[C@@H](C[C@H](N)C1(C)CC(C)(C)C1)CC(C)(C)C	1941980466	RLNXHUAVQFUAFG-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
CC(C)C(N[C@H](C)C(C(C)C)C(C)C)C(C)C	1942787586	KWSMWZVNOURVMI-CQSZACIVSA-N	241.463	4.573	0	10	BJAE	
CC(C)=C(C)CCC(=O)C(C)(C)C1CCCC1	1944643897	AIFNZWRSKDWOLC-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CCC(F)(F)CC)C1	1948001284	POLCNIKDEVQWCW-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCCC)C1CC(C)(C)C1	1948156284	VFIODRPUMJIMDS-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NC1CC(C)(CC)C1)C1CCCC1	1948399061	XLAHQUIFKVIHAP-PCKAHOCUSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948596968	USJSYJOBTITING-IMJJTQAJSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(CC1(CC)CCC1)C1CCCC1	1948979517	PIVITFMDFGOGPV-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C2CC(C)(C)C2)CC1	1949156406	WEOXEHWGZIXGSM-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)CC2(C)CCCCC2)C1	1949738842	WLELEBNIDRCSSF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(F)(F)CCC(=O)[C@H]1CCC[C@H](C)CC1	1950930685	QSEIQTXEQSYWOZ-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
C[C@H](Nc1ccc(C2(C)CC2)cc1)C1CCCC1	1967842486	IPOZHQZYKRVWFD-ZDUSSCGKSA-N	243.394	4.729	0	10	BJAE	
CCCC[C@H](CC)CN(CC)Cc1ccccc1	1968318403	IFINQZBGLUXKTR-INIZCTEOSA-N	247.426	4.725	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)CCC1CC1	1975835939	JYMQSPUJUMEIFP-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCSc1ccccc1N[C@H](C)CCC	1975964898	KLVRWHBXWRPQMX-GFCCVEGCSA-N	237.412	4.789	0	10	BJAE	
CCCC(C)(C)C(=O)CCC1=CCCCC1	1976003309	LDHUSMHWCMIDGJ-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1cscc1C	1995254823	WTFDREVCLJOJEJ-RISCZKNCSA-N	240.412	4.696	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1cc(C)cs1	1995258743	HHUDEHYRKHOVPD-AAEUAGOBSA-N	240.412	4.696	0	10	BJAE	
CC1([C@@](C)(N)CCCC2CCC2)CCCCC1	1995985695	AAPPOMTUNAEMDY-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H](C)C1(C)CCCCC1	1995987213	SAYPESAWHHDSBB-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@@H]1CC[C@@H](C)C1	1996272618	VXSDQPJCAVNWIH-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCSc1ccccc1N[C@H]1CCC1(C)C	1996572718	GMGWDSKLJRYLPT-AWEZNQCLSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCCC2CC2)CC1	1997101906	CAXIKLLUHVIKMK-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@]2(C)CCCCC2(C)C)C1	1997429891	SCPUFDRKKMTHKU-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@@]1(C)CC=CCC1	1997546410	LTBNNUOIDPWOFP-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC1(CCC(=O)C[C@H]2CCC=CCCC2)CC1	1999989120	XDAGRSYZXUMLCD-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
C[C@H]([C@@H](N)C[C@H]1CCC=CCCC1)C(C)(C)C	1999994131	RHHAEMGTYYKVEY-ILXRZTDVSA-N	237.431	4.523	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C2CCCCCC2)C1	2000181242	FPAPRAFNEWLLHI-WFASDCNBSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CC(CC(=O)CCCC2CC2)C[C@@H](C)C1	2000213387	IHRPLESIUVXZEX-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)c1ccccc1Cl	2000292630	FBWFSOYMPVJSCS-BXUZGUMPSA-N	248.753	4.515	0	10	BJAE	
CCC1CCC([C@](C)(N)CCC=C(C)C)CC1	2002929144	JRAIGJXOBFLPKE-UYSNPLJNSA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CCC2CCCC2)C1	2003012573	APVQYKFNATYONA-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C1(N)CCCCCCCC1	2003094098	BKVALQAQFHBQIY-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CCCCCC[C@@H]2O)C1	2003097466	ATCXCIIOAMCZOH-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2003215934	YPLHWSCIAQVEBR-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C1CCCCCC1	2005587885	AESTVTAOFRBPIE-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC[C@H]1C[C@H](CCC2CCCCC2)C[C@H](O)C1	2006634459	GQIYUTQZOSGKHS-CWRNSKLLSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C)c(NC2CC[Si](C)(C)CC2)c1	2006999347	YBOBRWSZHBTXEX-UHFFFAOYSA-N	247.458	4.586	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CC2(C)CCCCC2)CC1	2009403327	BAQDHBAXDCBGJZ-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C/C=C/CCCC(=O)c1cc(C)c(C)cc1C	2009567918	XAFOZXSPDGGECO-AATRIKPKSA-N	230.351	4.541	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C1=CCC(C)(C)CC1	2010722786	QVGDQVJIOPZGMV-HIFRSBDPSA-N	238.415	4.556	0	10	BJAE	
C[C@@H](C[C@@H]1CC(=O)CC(C)(C)C1)CC(C)(C)C	2012084643	PVTLOXSOZRIPCN-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(Cl)cc2cc(C3(C)CCCC3)[nH]c12	2014329687	STRFSVXPXOEHSF-UHFFFAOYSA-N	247.769	4.961	0	10	BJAE	
CCc1ccccc1N[C@@H](C)C1(C)CCCC1	2014337147	ITZSHLXNOABEHG-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
CCCC1(C[C@]2(O)C[C@@H](C)C[C@@H](C)C2)CCC1	2015641067	ZRMPNEZGISEBNW-MIFYACCESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(O)CCC=C(C)C	2016150878	YXBFPWSQZURTPN-OAGGEKHMSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)C(C)(C)CCF	2016764391	YYVVREZWXVRKTG-UONOGXRCSA-N	245.426	4.567	0	10	BJAE	
CCNCC1(CC(F)=C(C)C)CCCCCC1	2017466131	JXDPFRMCYJBOLL-UHFFFAOYSA-N	241.394	4.590	0	10	BJAE	
CCCN[C@H](CC)CC1CCC(CCC)CC1	2017723183	JHGWDQHGAXJPES-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2CCC[C@@H]2C)CC1	2017773361	ZRGXWBATEWIJGY-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H](CC(C)C)C(C)C)CC1	2018994719	MCMKUUGBPMEYEM-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)CN(C)[C@H]1C[C@H](C)CC(C)(C)C1	2019292459	YAGOKLBMRLZQPP-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
CC(C)C[C@H](C)N(C)C[C@H]1CCCC(C)(C)C1	2019296895	DBURUIIPEKXJDO-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CC[C@](O)(CCC1=CCCCC1)C1CCCC1	2019773094	ZFGJUYQFODJLES-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC[C@H]1C[C@H]1C(C)(C)C)NCC	2022500083	WECUVIHUJVDYHN-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)C[C@H]1CCCC(C)(C)C1	2024094459	KCTVIBOSZHECKP-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2CC[C@H](C)CC2)C1	2024126364	XPZXZDFUPFNFEH-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CC2(C)CCCCC2)c1	2027311629	MPKZATOQJMJUOT-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	2027844361	ZBDHYMWSTOEFTN-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1[C@@H](O)CCC(C)=C(C)C	2027896751	FIRHYVCPNZMOKF-KRWDZBQOSA-N	246.394	4.809	0	10	BJAE	
CC(C[C@@H]1CCCN1)=C1CCC(C(C)(C)C)CC1	2028115821	UCHBNZXGCIKBHR-LYKKTTPLSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc([C@H](O)[C@H](CC(C)C)C(C)C)cc1	2028241645	SUWDRIMQLLIFAL-SJORKVTESA-N	248.410	4.601	0	10	BJAE	
CC[C@H](C(=O)Cc1ccc(C(C)C)cc1)C(C)C	2028257876	MUSAWRRBEGYUJG-INIZCTEOSA-N	246.394	4.604	0	10	BJAE	
CCCc1ccccc1[C@H](O)[C@@H](C)CCC(C)C	2029822598	BXLINWQSJKVNEW-WMLDXEAASA-N	248.410	4.745	0	10	BJAE	
CC1(CN2CCCC23CCCCC3)CCCCC1	2033522696	IGJBTXMRVNREBO-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
N[C@@H]1[C@H](CCC2CCCCC2)C[C@@H]2CCCC[C@H]21	2034269076	OITVLYLFJRLQAG-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H](N[C@@H]1CCCC2(CCCC2)C1)C1CC1	2034363804	OUTGRMGKMVJTKJ-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H]2CCCC[C@@H]2C1	2035403540	KHUDCCDACZSXRO-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1	2036633750	FYRKGZSBTRPLFD-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@@](N)(C1=CCCCCCC1)C1CC1	2037074090	ASHKZVYRIVHEEY-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCC[C@@](N)([C@H]2CCC3(CCCC3)C2)CC1	2037591131	ZRXDFSSBXVXEEE-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)CC2CC3(CCC3)C2)C1	2037980503	YVPSEIRCTSLKEZ-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)C[C@@H]1C[C@H]2C[C@H]2C1	2038326888	IQSOTILFAFVFBJ-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@@H]1CCC2(CC2)C1	2038569917	ZSRIZVRVETVCLO-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1CC(CNC(C)C)([C@H]2C=CCCCCC2)C1	2038876082	YGHWTGCCAWGVCR-CGZBRXJRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NC1CC2(CCC(C)(C)CC2)C1)C1(C)CC1	2038940701	NUHLQTAOOBXKHK-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@H]1CCC[C@@H](C)CC1	2039370683	RMNPLPIQEUZVKG-YCPHGPKFSA-N	249.398	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(N)C12CCC(CC1)C2	2039871730	GVOFSORESZAQEI-IZTSSTLKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC12CCC2)C1(C)CCCCC1	2039872284	LTFHUQONELBGDH-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC[C@H](CC2(CN)CC3(CCCCC3)C2)C1	2040182455	QCKHYBZTQLTCBV-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2[C@H]3CCC[C@H]2CC3)CC1	2042050853	YFOVCALTQUFXMY-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CCCCCc1ccc(NC[C@H]2C=CCC2)cc1	2042330695	KUUJCQZPPMPTPT-INIZCTEOSA-N	243.394	4.797	0	10	BJAE	
CCCNCC1(C[C@@H]2CC23CCCC3)CCCC1	2047012547	PBYQBSMCYTZXKK-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@H]1CCC12CCC2	2047933605	VHCNEQNFTOXBMT-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048465368	IOAJQLROJVHXMY-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@@H]1CC12CCCC2)[C@H]1CCCC(C)(C)C1	2049539221	FPIPJUHZOZJIGF-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
C1CCCCC(NC[C@H]2CC23CCCC3)CCC1	2049672553	MVZSVBPVFUJGRD-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NC[C@]2(C)C=CCC2)CC1	2049980002	UXLQSOMSAZBOGO-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@@]1(C)C=CCC1	2049998190	SVLPKWWOVVGJBZ-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@@]1(C)C=CCCC1	2049998823	XYYDPPNEAYTINR-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(=O)CC[C@H]2CCC3(CC3)C2)cc1	2050458648	OTRGEVJMAHOCOP-AWEZNQCLSA-N	242.362	4.538	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@H]1CCCCC12CCC2	2053361060	WNCWHEGAAMYZOS-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@@H]1CCCCC12CC2	2053412962	RLMJOWGBLYXCGD-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1CCC(N[C@H]2C=CCCC2(C)C)CC1	2055532113	LRDYEBOPIZGMIA-GPANFISMSA-N	249.442	4.536	0	10	BJAE	
CN[C@@H]1CCC[C@H](C[C@@H]2CCC=CCCC2)[C@@H]1C	2055622304	CNRUAPBCQKZXBN-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@@H]1CCC[C@H]2C[C@@H]12	2057357168	IXTKFIDLCYSQHQ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1CCCCCC1)C1(C2CC2)CCCC1	2057603594	IMZJQKOILQMQGL-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@](N)(CC(C)C)c1ccccc1	2059204166	SMQOWMXIJIGVHP-BDUNBXCCSA-N	245.410	4.633	0	10	BJAE	
CC=CCCC[C@@]1(CNCC(C)C)CC=CCC1	2059250759	TZFNHIRMHZGHMC-QGZVFWFLSA-N	249.442	4.705	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C2CC(=C3CCC3)C2)C1	2061730454	IHZZRJVVXIUGDM-STQMWFEESA-N	246.394	4.662	0	10	BJAE	
CC(C)(C)C1CC([C@@]2(N)CCCCCC23CC3)C1	2062010360	VUVBVGJUPMYOEJ-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
O[C@@]1(CC2CCC=CCC2)CCCCCC12CC2	2062037049	NTJXXKPLFGATNY-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(C(=O)CC2CC3(C2)CC(C)(C)C3)CC1	2063210407	FJOKGKBCOVRVQR-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCC=CCC1)C1C[C@H]2CCC[C@@H]2C1	2063406257	KZOMZSVAEGWZGZ-HUUCEWRRSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C2CC3(C2)CC3(C)C)C1	2064133028	QJWJBISDTBHLRX-WIJYIZELSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H]1NC1CCC2(CCCCCC2)CC1	2065891863	DTUZVVMJJBYJBP-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@]1(C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCN1	2068771988	PMBOBDUFDHGOKR-NXOAAHMSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)c1ccc(CC)cc1	2068815755	CJSVIOUNTYVDQD-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CN[C@H](CCC1CCCC1)C1(CC2CC2)CCC1	2069515528	YUWFUKCTPZDXPQ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@]23CCC[C@H]2C3)cc1	2070789360	KMMRTUXYPDIXAY-WMLDXEAASA-N	243.394	4.586	0	10	BJAE	
CCN[C@H](C[C@H]1C[C@@H]1CC)C1=CCCCCCC1	2071503146	FNNGEMSKFUPMTL-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C(C)=C(C)C)c1ccccc1C1CCC1	2072426550	RHDPWAGZBRTEHE-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCC3(CCC3)C2)CC1	2072807272	UNHNRDZHANOAST-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@]12CCCC[C@H]1C2	2074093731	HGIMGKIUUPFOIV-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@]23CCCC[C@H]2C3)CC1	2074094700	NDHGPFDODYZGOD-QBYUYEEZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H]2CCNC3(CCCC3)C2)C1	2074138854	NAVAERRAGWENGB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N(C)C[C@]2(C)C=CCCC2)CC1	2074857205	PNRZXNGUCVJOAD-OFLPRAFFSA-N	249.442	4.633	0	10	BJAE	
C[C@@H](C1CCC(C)(C)CC1)N(C)[C@H]1C=CCCC1	2075084753	QHDRWUDJKLGVLD-HOCLYGCPSA-N	249.442	4.632	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1ccc(C)cc1F	2077189256	FYKUJRKKLGPNEB-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C[C@H]1C1CCCCC1	2079484328	HSFPJMDKDPNGAA-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(-c2ccc(C(C)C)cc2)c(C)cc1N	2083394900	HIRGGSPQWWFXMX-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1cc(C)cc(C)c1	2086044187	LQNLLXLKBKSVGV-SUMWQHHRSA-N	248.410	4.943	0	10	BJAE	
c1ccc(C2CC2)c(-c2cccc3c2NCCC3)c1	2088959761	AOZJCMTUIYVUSV-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CC[C@H](C)C[C@H](O)CCCCCCC1CC1	2210527566	TUTZXGNBLAUVFY-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CCCC[C@H]1C/C=C/c1ccccc1	2210662700	SCZJFXZCEKEIJK-UVRXNYFOSA-N	214.352	4.916	0	10	BJAE	
CCCC[C@](N)(CC)CC1(C)CC(C)(C)C1	2211616116	RAXAWCJBKSZFNO-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213284669	KBTJICYGRPJATM-FICVDOATSA-N	234.383	4.518	0	10	BJAE	
CC1(C)C[C@@H]1C[C@H](N)CCCCCCC1CC1	2213578778	PTLMABUCQREJHK-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)CCC1CC1	2214571255	XCRDUIZDEPKZHV-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@H](O)C1(C)CCCCCCC1	2215237585	QOQCVNIBQHORFA-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C(=O)c1c(C)cccc1C)C(C)C	2215993034	BREIHJJFERLFTN-CQSZACIVSA-N	232.367	4.558	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)C)C(C)(C)CCC	2216278755	NZUOTDZUYHIAHL-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218330404	HZXFOLVAVBOUBW-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)C1C[C@H]2CCC[C@H](C1)C2	2218342238	ZSWLZQDPSRGCRG-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@](N)(C[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CC1	2218356007	ILUSFJQDPKXBPV-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C=C1CCC[C@@H]2CNCC[C@@H]12)CC	2218420280	IPNXCICRSDEEEG-OIISXLGYSA-N	249.442	4.539	0	10	BJAE	
C(CCCC1C[C@@H]2CCC[C@H](C1)N2)CCC1CC1	2218717850	IIDFGQCKBIEVHL-ALOPSCKCSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CCCCC1CC1	2220041238	PMDPJRBUAQXEEC-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@H]1CCCCC1CC1	2220045520	OAAWAUZOQZJOAG-ZFWWWQNUSA-N	243.394	4.802	0	10	BJAE	
Cc1ccc(-c2cccc(C(C)C)c2)c(C=O)c1	2220786093	XWLKXQVRBRJHRV-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@H]1CC)[C@@]1(C)C=CCCC1	2220878124	QIHTVNWTULVOGC-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@H]2CCCC(C)(C)[C@H]2N)CC2(CCC2)C1	2221025066	HUEHMEVLBHYZMP-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](CC)Oc1cc(C)cc(C=O)c1	2221588340	LDCKNHFASPUUEN-OAHLLOKOSA-N	248.366	4.545	0	10	BJAE	
CC1=CC[C@@H](CNCC2(C(C)(C)C)CCC2)CC1	2221615442	LHSOIJXWVPMMSW-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)c1c(C)cc(C)cc1C	2222001557	MSEFGWUKEAKLPW-SJKOYZFVSA-N	248.410	4.646	0	10	BJAE	
CCCN[C@H](C)c1ccc(C)c(C2CCCC2)c1	2223271385	CRMHJQRPBXYRMN-CQSZACIVSA-N	245.410	4.713	0	10	BJAE	
CC(C)[C@@]1(CNC2CCC2)CCCCC12CCC2	2223541426	ILFJZADZALRKAB-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCc1cc2sccc2s1	2242443907	UDZVHKMJKNRNCI-UHFFFAOYSA-N	222.378	4.862	0	10	BJAE	
CCN[C@H](CCCC[C@H]1C[C@H]1C)CCC(C)C	2247172828	BMFVOPWFDDVSPJ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H]1CCC12CCC2	2247388853	XUMPOPSQTYCDHG-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)c1csc(C2CC2)c1	2248074075	LGLJWDLAACSZIJ-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)[C@H]1CC12CCC2	2248284580	YAHUZQSXNZMFMK-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CF)CCC[C@H](C)CCCC(C)C	2250479805	YSXZINSUYABVRL-HUUCEWRRSA-N	245.426	4.567	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(CCCC2CC2)C1	2251660850	ZHTVRKIJEIMIFZ-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](N[C@@H]1CC(C)(C)CCC1(C)C)C(C)C	2251680609	DPCKGSNVYUPGJN-ZIAGYGMSSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)N(C)[C@H]1CC(C)(C)CCC1(C)C	2251717590	JIQRBOACFIPKBX-KBPBESRZSA-N	239.447	4.712	0	10	BJAE	
CC=CCCC[C@@H]1[C@@H](N)C(C)(C)CCC1(C)C	2251721022	QDJPZUJNFOQROG-ZIAGYGMSSA-N	237.431	4.523	0	10	BJAE	
CN[C@@H](CCC1CC1)CC[C@@H]1CCCCC12CC2	2253859784	YEJCZDUQKGYDHN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](C)(N)CCC12CC3CC(CC(C3)C1)C2	2253981294	JPMQCZQDGDMQPQ-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CC2(CCCC2)C1)c1cccc(N)c1	2254078729	WVFZTPODSGWWCB-CYBMUJFWSA-N	243.394	4.733	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CC3(CCCC3)C2)[C@@H]1N	2254120820	RRLCSAAZJBLLEH-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)CCCC[C@@H]2C[C@H]2C)C1	2254538945	WKHAJTOANRSUMJ-XZDPQHSOSA-N	248.410	4.764	0	10	BJAE	
O=C(C[C@H]1CCC12CCC2)C1CCCCCCC1	2255017228	LVSIYTVAUMSTGM-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCC[C@](O)(CC1=CCCCC1)c1ccccc1	2255063664	MDELDARSDXNYHF-KRWDZBQOSA-N	244.378	4.565	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1CC[C@H]1CCCC12CC2	2255266960	NTMDYTVMQDLIHD-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1NCCCC[C@H]1C[C@@H]1C	2256112159	YAJWUKKNQZGDAW-JSGCOSHPSA-N	249.373	4.626	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@@H]2C=CCCC2)c1	2257879837	OJGQYCHNBOTZEV-CQSZACIVSA-N	243.394	4.752	0	10	BJAE	
CCC[C@@H](CC)[C@H](C/C=C/c1ccccc1)NC	2259440406	FJOLEWGFZBBROW-FIRJTHROSA-N	245.410	4.504	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@]12CCCC[C@@H]1CC2	2260508507	PJTQEFRAVOAVJG-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
N[C@H](C[C@]12CCCC[C@@H]1CC2)C1CCCCCC1	2260623869	QYKGHMQGKWXEDT-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(F)cc(NC[C@@]23CCCC[C@@H]2CC3)c1	2260628519	SWFNMZBGUBZAQY-CJNGLKHVSA-N	247.357	4.516	0	10	BJAE	
CCN[C@H](C[C@]12CCCC[C@@H]1CC2)C1CCCC1	2260678448	LJBBVVOLOKNKJB-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@]12CCC[C@@H]1CC2	2298685698	RCIKCBXDDIBDGP-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1CC[C@@H]1C	2300458946	NODGJXMNBNEZSH-SWLSCSKDSA-N	231.383	4.576	0	10	BJAE	
CCC(CC)CC[C@@H]1CCC(C)(C)C[C@H]1NC	2300682763	BYYBPUQAJFVXKK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN(CC)[C@H]1CCCC1(C)C	2300689471	YIDKKDOEFIVPPF-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCC(CC)CCC(=O)c1cccc(C)c1C	2300703207	CNMUXWZIPYFIEP-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CCC(C)=CCOc1cc(C(C)C)ccc1C	2300867932	SAHMHXPPICEACR-UHFFFAOYSA-N	232.367	4.854	0	10	BJAE	
CCC(C)=CC[C@@H](O)C1(C)CCCCCCC1	2300875988	ATHJDTSEVVACTE-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C[C@@H]1CC1(C)C	2300881699	QQUZYGOTGQZEEO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@H]1CCCC[C@H]1CNC(C)C	2300901336	IKHNGBXBIQOSLD-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC1([C@@H](O)CC2CCCCCC2)CC1	2301203404	BQKCFQDDQNJHKD-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCc1ncsc1-c1cccc2ccccc12	2301773294	JRXNFXKQSUWZFM-UHFFFAOYSA-N	239.343	4.526	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@]1(N)CCCCCC1(C)C	2301841619	WLBSAMBCJBGZRR-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@@H](C)[C@H](C)C(C)C)C1	2301961309	JNRMQFAOMIEJPH-BARDWOONSA-N	238.415	4.700	0	10	BJAE	
CN[C@@H](C)CC(C)(C)CCCC1=CCCCC1	2302353876	LDPBDILTCXFPPO-AWEZNQCLSA-N	237.431	4.681	0	10	BJAE	
Cc1c(C(F)F)[nH]c2ccc(C(C)(C)C)cc12	2302549364	OTDKXOYHFNGDIN-UHFFFAOYSA-N	237.293	4.711	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](O)CCCCC1CC1	2302587660	UFXRIFVHWYXBID-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@H]1CCC(C)(C)C1	2302764476	YJGLYJXYFMXBNG-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@H]1CCC(C)(C)C1	2302905357	QHPBEYLXRCGEII-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)CN(C)C1CC(CC)(CC)C1	2307763236	JWWKGGHKEOHYBH-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
C[C@H](CC1CCC1)N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	2308399660	CSVDMSBIOPFSMF-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@]12C[C@H]1[C@H](C)C2	2308838123	NRSXKYCMDUVKKY-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC=C(C)C)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309482898	VFOORELLXJODHV-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@@H]3CC[C@H]2C3)C1	2312938946	DRZKUDQRCGSBCC-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](C[C@@]23CCCC[C@@H]2CC3)N1	2313334168	WXJWZTRRHIOVJG-TWMKSMIVSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](C[C@@]23CCC[C@@H]2CC3)C1	2313345642	CTMSJFRKOYCMSP-MPTYRVRUSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)NC1CC2(C1)CC21CCC1	2313561438	CCRXGBBVBFJQGQ-UQPPLGOBSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1C[C@@H]1C(C)C	2315877436	HUNYVHCDQMPUKV-HZPDHXFCSA-N	245.410	4.822	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316872495	BZPCNHMKCYBZFK-SZOQZIPDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(=O)[C@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316939756	MOPQRWNBBNSQOW-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2317008509	SPPKWPGCQARKCM-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)C1=CCCC1	2317902227	UZJNJDATFUFGHD-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
C[C@@]1([C@H](O)CCCC2=CCCCC2)C=CCCC1	2318581006	RLNVGYLFDWQJBB-IAGOWNOFSA-N	248.410	4.764	0	10	BJAE	
O[C@@H](CCCCC1CC1)CC1CC(=C2CCC2)C1	2318880653	VPKXGPLVUSQLBU-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCCC[C@@H]2C[C@H]21	2319255078	IOJQJRKLPLQTBV-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)CCCC[C@@H]2C[C@@H]21	2319442965	HWSLLZSRUDMLEY-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@H]2CC[C@H]2C2CC2)C1	2319735729	ZAEIQIBVKQJJHB-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC[C@@H]1CC[C@H]1C1CC1	2319751565	XGOZCLUJHYECEJ-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](NC[C@@H]1CCC(C)=C(C)C1)C1CCC1	2320232972	VRNHMVXXLILICS-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@H]1CC12CCCC2	2320314597	YSOOSIOZDJRTRS-BFHYXJOUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)c1cccc(C(C)C)c1	2320515848	HHNJXUFMDHRGHK-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
CN[C@@H](CCC=C(C)C)c1cccc(C(C)C)c1	2320518059	ZHYWVWQLDJVNKJ-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CC1(C)CCC[C@@](N)([C@H](CC2CC2)C2CC2)CC1	2320762661	QDDZMVNVANRCBL-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
c1ccc(-c2ccccc2NCc2ccco2)cc1	19901700	RHMQQPNKXHBQOT-UHFFFAOYSA-N	249.313	4.559	0	10	BJAE	
CCCC(CCC)N[C@H](C)CCc1ccccc1	20563936	OGNJSLFSWZDPQK-OAHLLOKOSA-N	247.426	4.566	0	10	BJAE	
CC[C@H](C)N[C@@H]1CCCC[C@@H]1C1CCCCC1	34994237	NODQCFMNQFPRGM-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](C)Nc1ccccc1COCC	37159859	VLQBVTGVVAFSCQ-AWEZNQCLSA-N	249.398	4.604	0	10	BJAE	
CCCC[C@H](C)Nc1cccc2c(O)cccc12	37316949	RZZYYRBUEQLLKA-LBPRGKRZSA-N	243.350	4.536	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)c1ccc(C)cc1C	69377153	ZKKAHTASYXDBSL-CVEARBPZSA-N	247.426	4.923	0	10	BJAE	
CCN[C@@H](c1c(C)cc(C)cc1C)[C@@H](C)C(C)C	70123323	VQSQGIZIDWSAFU-DOTOQJQBSA-N	247.426	4.555	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@@H](CC)C2)cc1	71105862	WGDNPLYFKGIPAQ-ZBFHGGJFSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(O)CCC(C)(C)CC2)C1	79657316	CZUARNLERDPWHX-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(C[C@@H]2CCNc3ccccc32)CC1	85081998	TUKCYMZHXIGFHZ-NRXISQOPSA-N	243.394	4.802	0	10	BJAE	
CC(C)c1ccc([C@@]2(N)CCC[C@@H](C)CC2)cc1	86884083	RKYATLYULGGVDG-RHSMWYFYSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H](N[C@H]1CCC[C@H](C)CC1)c1ccccc1	86889792	KDTPENPMQAEEIJ-BHYGNILZSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CCC(C)CC2)CC1	86893779	XTDKGWSPEVYBPG-LVDPKSTMSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)CCC(C)C)CC1	86894471	XWYYZJOLBCMANH-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CSc1ccc(NC[C@H]2CCC[C@@H](C)C2)cc1	89586508	YSDSOEXCNICOAR-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
CCN[C@H](CCC1CCCC1)c1cc(C)oc1C	103999719	MPXQQYGDWDZVHK-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
CC/C=C\C[C@H](CC)c1ccc(C)s1	107543117	RWMWIHGYZQFOCE-DGMVEKRQSA-N	208.370	4.906	0	10	BJAE	
CCCCCC[C@@H](C[C@H](C)C(C)(C)C)NC	124874381	JMEMQRAPVGZMGT-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCC(C)(C)C)NC	126755994	LKYBFFHUCFVVGJ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CC[C@H](C)c2ccccc21	137040940	WKVJOHQEAWVSPL-ZQIUZPCESA-N	246.394	4.598	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCCC(C)C)s1	147352064	WEDWTNHJLDNMCB-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@@](C)(CNCC(C)C)C(C)C	164430024	XWMCTYOWJFTRHE-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)c1cc(C)ccc1C	167287945	CJPARAGQTBQHCL-DYVFJYSZSA-N	247.426	4.780	0	10	BJAE	
CCN[C@H](CC(C)C)C1(CC(C)C)CCCC1	168003588	WDEUECJGDCHDTE-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC(C)C)c1ccccc1C(C)(C)C	168097530	OZUKAQJRUJBPRF-MRXNPFEDSA-N	247.426	4.681	0	10	BJAE	
C[C@@H](Nc1ccsc1Cl)c1ccsc1	188755524	KIHAWMFOADOIKD-SSDOTTSWSA-N	243.784	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@]2(N)CCC[C@H](C3CC3)C2)C1	227175861	VIVGWWQKJWGTPM-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(N[C@H]2CCC23CCCCC3)CC1	230171343	GNPRFLHLDSIISD-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CCCCC[C@@H](NCC)C1(C)CCCCC1	232977024	ZLZSUAYXNQZPDW-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@H](C)[C@@H]1CNc2ccc(F)cc21	232978220	KVXVNXUTJACDER-FZMZJTMJSA-N	235.346	4.551	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(C2=CCCCCCC2)C1	234079401	FYPBFUCZYAZHTQ-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CCc1cccc(NC[C@H]2CC(C)=C[C@H](C)C2)c1	234176298	PYMFTKHGPBZETP-XJKSGUPXSA-N	243.394	4.653	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@H](C)CC	251361567	PJASZZHNAFEVBP-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
Cc1cccc2cc([C@@H](O)CCC(C)(C)C)oc12	302264928	FYXWIYBETKREJH-ZDUSSCGKSA-N	246.350	4.601	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](CCC(C)C)C1CC1	302518474	OMZUVZYOOIQVBP-SQWLQELKSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](NCC1CCCCCCC1)C1CCCC1	305915808	KBJSZBUOKDAFHO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Cc1cc2scc(Cl)c2cc1Cl	307316017	ZYUUFTVURRXAGE-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CSc1cc2ccc(Cl)c(S)c2s1	307446955	IBPARYXIFJPDKL-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
C[C@H](CC[C@H](O)C1CCCC1)C1CCCCC1	310369728	XKHIFZAZYCYYGG-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C(C)(C)Nc1snc2ccccc12	310448971	VDNAIUVIFOLYHH-UHFFFAOYSA-N	248.395	4.533	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@@H](C)CCC	310565851	XKSGIZOUNLJXRN-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(N[C@H]2CCCC23CCCCC3)CC1	313014173	MRUGNXSNKXDXMS-GPANFISMSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(Cl)c([C@H](O)CCC(C)(C)C)c1	313416555	MASIFADHCLYUAA-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCC[C@H](C)CC1(CNC)CCCCCCC1	318055797	UCUFRVNETKDREL-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
Cc1ccc(OCCCCCC(C)C)c(C)c1	383307992	VBHZQQVQJRBPFS-UHFFFAOYSA-N	234.383	4.899	0	10	BJAE	
CC[C@H](NC)c1cccc(C2=CC[C@H](C)CC2)c1	384970528	KYSMJLUCSQIDCZ-GUYCJALGSA-N	243.394	4.561	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@@H]1C)c1cccc(C)c1	385112923	AWRXCHOHXZUOML-XIRDDKMYSA-N	245.410	4.614	0	10	BJAE	
CC(C)CCC[C@@H](N)c1cccc2ccsc12	386309253	LQYMYONRDNMFDO-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@H]1C[C@H]1CC(C)C	387959376	CYPGUMJIWULULN-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNc2c(C)cccc2F)C1	394504795	FCANIVVQDUBFRD-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NCC(CC)(CC)CC	395144885	KXNFGBGGPUIFNE-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(-c2cccc3ccccc23)ccc1C=O	395355899	OKJPOWVMLXATRG-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CCc1ccc2sc(C(F)F)c(C)c2c1	396225619	REUXXHDKLVHJAF-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CSc1c(C)ccc2c(C(F)F)csc12	396409050	QBRAIDBOGWJORI-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@@H](C)C2CCC2)cc1	398517359	KRGQZZVQTBALMC-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CC1(C)[C@H]2CC[C@H](Nc3ccccc3Cl)[C@H]1C2	400423210	PIZLQFXDDWGJQB-LOWVWBTDSA-N	249.785	4.577	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)C[C@H](C)CC(C)C	401310632	XCDAWTVKXMLNAL-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C1CCCCC1	402174241	VKCVMQNFSZUDMZ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCCCCCC(=O)[C@H](CC)CC(F)(F)F	402806293	UEPLRJUVBIJADJ-SNVBAGLBSA-N	238.293	4.505	0	10	BJAE	
C[C@@H](C[C@H](O)CCC(C)(C)C1CC1)C(C)(C)C	405986926	FHSFDHZUSZEQLB-GXTWGEPZSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)C(CC)CC	688938080	ILLWUEKOGHDMES-KRWDZBQOSA-N	247.426	4.897	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](C)CC1CCCCC1	689833253	ZBBHUHFYCCAOHR-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@@H]2CCCCC[C@H]2C)c1	691140351	QGWUQMQWKJSYBK-BFYDXBDKSA-N	245.410	4.614	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H](C)C1CCC1	692810917	JETVQMCYVPSRLZ-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCC12CCCC2	694421130	VVOMASZQUCDGTM-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1CCC12CCCC2	694472676	JVHDGZYRNXNIBP-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@H]1C1CC1)C1CCCCC1	696105880	RKQGLJIPMVXDFJ-JQFCIGGWSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1OCc1cccc(C)c1	699494487	YGXTUCVOMAFAQO-UHFFFAOYSA-N	240.346	4.527	0	10	BJAE	
CCC(C)(CC)[C@]1(O)C[C@@H](C)CC[C@H]1C(C)C	701046163	BIMXYLKCFMNZLN-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H]([C@H]1CCC[C@@H](C)C1)C(C)(CC)CC	701132314	SYTYFRUPTBLRET-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@]1(N)CCCC12CCCC2	704432777	KVUWSHMJZQCEJR-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCCC[C@@H]1C1CC1	704474750	SSBXYICBMPHFMR-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc2ccn(CCC=C(C)C)c12	704894585	VHNGDEVXABILIN-UHFFFAOYSA-N	227.351	4.560	0	10	BJAE	
Cc1ccc2ccn([C@@H]3CCCC[C@@H]3C)c2c1	704954090	VZPFIVLTDHZSDO-DZGCQCFKSA-N	227.351	4.701	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)CC(C)(C)C	707700533	YHSWKWUCICLRNI-ZFWWWQNUSA-N	227.436	4.747	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@@H]2CCC[C@@H]21	707841091	VLHNVOVEBZUPQD-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](C[C@@H](O)C(C)(C)C(C)(C)C)CC(C)(C)C	709133341	YVNYYILFPLILAB-QWHCGFSZSA-N	242.447	4.882	0	10	BJAE	
CCN[C@@H](CC)CCC[C@H](C)CC(C)(C)C	709188807	NZUOFQVAXMYTQS-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(S[C@@H]2CCC[C@H](C)C2)c(C)cc1N	710684649	AFPPAYUZUOVMIK-GXFFZTMASA-N	249.423	4.556	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H](CC)C(C)(C)C	711106838	RNFWTMHOBYGMLO-ZIAGYGMSSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)(C)CC1=O	717529419	AAJZYCDGGOOQRI-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H](C)CC(C)C	720938921	BKTBCVAZTONBBG-GOEBONIOSA-N	239.447	4.760	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)CC1CCCC1	720976686	HUOFFVJQFHBEGT-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)C(C)(CC)CC	721674638	AYIUNIZIMYOPSQ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccc(C2CCC2)cc1	721692961	OVYGYSJYJIBDCD-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C1(CC(C)C)CCCC1	723129874	ZLDMGRJAJXCELI-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1	723615975	TZNBGGOSHUUQHC-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H](C2CCCCC2)C2CC2)C1	723982192	NKVYPGNVJPFOKI-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
C/C(=C\Cl)CSCCC1=CCCCC1	1189197208	CHAJIJFYZCFRKX-PKNBQFBNSA-N	230.804	4.753	0	10	BJAE	
CC(C)(C)CCCNC1CCC2(CCC2)CC1	1620807363	VEYOKCWAIQJIQG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCN(CC(C)C)c1ccccc1	1654404198	CQVYVTCSQGLSGW-UHFFFAOYSA-N	233.399	4.585	0	10	BJAE	
CCCCCN(CC(C(C)C)C(C)C)C(C)C	1658258931	ISJHBOHJLZRNJS-UHFFFAOYSA-N	241.463	4.815	0	10	BJAE	
BrC=C[C@@H]1C[C@@H]1C1CCCCCC1	1883908376	QGCBRBUUQVLQGE-VXGBXAGGSA-N	243.188	4.502	0	10	BJAE	
CCC(C)=CC[C@H]1CCCC(F)(F)C1	1888066128	OYGAWBUDEUSJFJ-LLVKDONJSA-N	202.288	4.558	0	10	BJAE	
CCC(C)=CCC1(N)CCCCCCCC1	1900872974	BVBMRGISMKFHTC-UHFFFAOYSA-N	223.404	4.565	0	10	BJAE	
Cc1sccc1-c1ccc(C2(C)CC2)cc1	1901897181	KKVXNKGVGXQEAT-UHFFFAOYSA-N	228.360	4.775	0	10	BJAE	
CCC(CC)CC[C@H](N)CCCCC1CC1	1902164758	HWMHLVARURCXSB-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1(C(C)C)CCC1	1905449162	JETRBCOAFOWTFF-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC[C@](N)(CC[C@@]12CCC[C@@H]1C2)C(C)(C)C	1908430853	HPMCMWLMXDWPFD-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCC[C@@H]1C[C@H]1C	1908533790	CWJLUHHWQPXQOR-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC(C)(C)[C@H]1O	1910197929	FENOYJYCQVLQQJ-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@H]1C[C@H]1C(C)(C)C	1910727301	LJAXXARSORYQJZ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C1CCC(CN[C@@H]2CCC3(CCCCC3)C2)CC1	1915867568	KLHKFGJVJNRGBF-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CCC2(CCCC2)C1	1916444841	LYPZIPHQSPFEJM-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CCC(C)=C(C)C	1919960609	DVJKWEXLWIKFCP-UKRRQHHQSA-N	226.404	4.700	0	10	BJAE	
CCCCC[C@](C)(N)c1ccc2ccccc2c1	1920490147	IVMZSXXXIRQWLP-KRWDZBQOSA-N	241.378	4.594	0	10	BJAE	
CC(C)=CCCc1ccc(Cl)c(F)c1F	1923236083	RZDREDVQGQGWQT-UHFFFAOYSA-N	230.685	4.517	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H](C)C1CCCC1	1924128087	YJNCYHKRLLDVDX-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCCC(C)(C)CC1	1926159709	NYSTVQVKNCGSMT-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@H]1CCC1(C)C	1926189600	QBAHSADATMCMLE-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@H](O)c1cc2cccc(C)c2o1	1926380078	PUGRZLPGNSTXIC-AWEZNQCLSA-N	246.350	4.601	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)C[C@H]1C=CCCC1	1927027396	REYAWCJYCBHARA-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C[C@@H](C)CC(C)(C)C	1941267877	YDXXLBVSCRZKRU-RBSFLKMASA-N	241.463	4.848	0	10	BJAE	
CC(C)(C)CCCC(=O)C1CC[C@H]2C[C@@H]2CC1	1941876003	OMVOTSZIJKWRRF-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(C(=O)[C@@H](C)CCC(C)C)c1C	1942665696	ZVFSHLKNHHVMDJ-ZDUSSCGKSA-N	232.367	4.558	0	10	BJAE	
CCCCCCNc1cccc(C2(C)CC2)c1	1944599727	HDRMWKCKUUCIQK-UHFFFAOYSA-N	231.383	4.730	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)CCCC(C)(C)CC1	1944846116	MQFHBFOTMSSMIY-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](C)(O)c1csc2ccccc12	1945611048	ASEWEAWPMBTJRL-HNNXBMFYSA-N	248.391	4.689	0	10	BJAE	
CCCC1(NCC(C)(C)C2CCCC2)CCC1	1946164830	NKFYVDLQJJWSMR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)[C@H]1CCC[C@@H](CC)C1	1947515279	LJZLCXPSAAPBRJ-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCC(F)(F)CC1	1948168776	JLNZCVHPDCMAOZ-QWHCGFSZSA-N	247.373	4.513	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)CCC1=CCCCC1	1949041883	ULSMIWVLKNOIGV-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)[C@H]1CCC(C)(C)C1	1949515662	BYDCUFGKTIMJMV-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@@H]1CC[C@@H](C)C1	1949518610	MKVZMKOCUWEOOB-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CCC=C[C@@H](C)Cc1ccc(OC(C)C)cc1	1951308232	BZQYGTKLBRSWKK-CQSZACIVSA-N	232.367	4.619	0	10	BJAE	
CCCC[C@@H](C)c1ncc(C(C)C)s1	1956203476	KGNQULUMARXHFI-SNVBAGLBSA-N	211.374	4.560	0	10	BJAE	
CC[C@@H](NC1CCC(C)(CC)CC1)C1CCC1	1964607700	WYVLMEQKKNJTPQ-HWOWSKLDSA-N	237.431	4.514	0	10	BJAE	
CC1(c2csc(-c3ccc(Cl)cc3)n2)CC1	1968397245	YJTIKCPUMZRGEL-UHFFFAOYSA-N	249.766	4.515	0	10	BJAE	
CCCC[C@@H](CC)NCc1c(C)cc(C)cc1C	1968665786	QMRMFWXICSQKPJ-MRXNPFEDSA-N	247.426	4.670	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@@H]2CCCC3(CCC3)C2)C1	1969006816	XMDITTPGNUYSFS-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cccc(C2CCC2)c1	1971533055	JMTHVDBEYKXWIK-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
F[C@@H]1CC[C@@H](CNc2ccccc2C2CCC2)C1	1973428691	GMOVFIZADJBLJR-TZMCWYRMSA-N	247.357	4.504	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1CCC[C@@H](C)C1	1976007332	GAAVAUAPALAJKF-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@@H]1CCC=CCCC1	1978275224	VSZCYXUKQSRCNJ-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCCC1(C(=O)C[C@H](C)CC(C)C)CCC1	1978429235	YIYJXEDHIJTVFW-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)C[C@@H](O)c1csc(C(F)F)c1	1978582589	MUBVUVLMPWHTQI-SNVBAGLBSA-N	248.338	4.545	0	10	BJAE	
CC=CCCC[C@@H](CCC(C)C)NCCC	1984617738	DDJANIJCSXDIQF-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCCC1(CC(=O)c2csc(C)c2)CCC1	1988426417	ZUDSRRKUWNTDBC-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCCC[C@H](N)CCC1(C(C)(C)C)CCC1	1989460161	BXCHQSKWORZGQU-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(OCC2(C)CCC2)c(C)cc1Cl	1989927310	ZAMSHJPDOBORKW-UHFFFAOYSA-N	238.758	4.526	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC1(C)CCC1	1995253277	FREHSFMWPNXNEX-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NC)C(C)=C(C)C	1995264738	WNJTXCVFEMIGLI-HIFRSBDPSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](C)Cc1csc(C2CC(C)(C)C2)n1	1995453399	PVMPAUHJVWJTMQ-JTQLQIEISA-N	237.412	4.635	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](C)(N)C1(C)CCCCC1	1995985876	LTMXAJZVCHBKJH-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CC(C)Sc1ccccc1N[C@H](C)[C@H]1C[C@H]1C	1996563814	JNXAZTUTHIBDMI-UPJWGTAASA-N	249.423	4.644	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc(C(F)F)cc1	1996612523	YSYMBQSDKNNCKJ-UHFFFAOYSA-N	240.293	4.633	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@@H](C)C1CCCCC1	1996613402	QYSQLRNRPALQGZ-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H](C)CC(C)(C)C)CC1	1997105549	NMTFZYDBPDPRQZ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCC[C@H](C(C)C)CC1	1997195734	LEQXSAGVJDHRHV-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(O)CCC1CCCCC1	1998739436	AYFQLSLAEUMWCZ-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
O=C1CCCC[C@@H](C[C@@H]2CCC=CCCC2)C1	1999982843	FLBVQIZCNPGXGC-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@@H]1CCC=CCCC1)NC	1999987737	JAQBIUDQOXFHOL-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(C)cc(O[C@H]2CCCC(C)(C)C2)c1	2000105768	MGTPHVKKZPGKPF-AWEZNQCLSA-N	232.367	4.651	0	10	BJAE	
CC[C@H](CC(=O)CC1(CF)CCC1)C(C)(C)C	2001153121	GOLZATYIRSRCGY-GFCCVEGCSA-N	242.378	4.548	0	10	BJAE	
CC(C)CC[C@@](C)(O)C[C@H]1CC12CCCCC2	2001260114	SMSLNAIOPXYLJB-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](N)CC1[C@@H]2CCCCC[C@@H]12	2002208838	XDWTVDPXEBUPDZ-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C1CC(C(C)(C)C)C1	2002300511	ULYAPUIFFKAONQ-WLIAPVHPSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C)CC(=O)C[C@H](C(F)F)C(C)(C)C	2002435883	RREXTUSORTXKOG-CMPLNLGQSA-N	248.357	4.699	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)[C@@H]2CCCC(C)(C)C2)C1	2002993751	NJHBDUOWUBEZKG-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](C)NC2CCCCCC2)C1	2003013753	JIZLYTXJJZNZAO-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)[C@H]1CCC[C@@H](C)C1	2003026900	JBKHRIPRGXJYTD-WCVJEAGWSA-N	239.447	4.760	0	10	BJAE	
CCCCCC1CCC(C(=O)[C@@H](C)CC)CC1	2003069504	YXVCQWNEMUKBDX-NFOMZHRRSA-N	238.415	4.988	0	10	BJAE	
CN[C@@H]1CCCCCC[C@@H]1CC1(C)CCCC1	2003099008	MASKDTOATMTTHO-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@]1(C)C=CCCC1	2003329028	HXQXOMPLIJBEMO-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@H]1CCCCC12CC2	2005563175	IILCJHAGHDRAMU-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC)C[C@@H](C(CC)CC)C1	2006623619	KTBVLYQJFCYTNF-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@H](C)CC(C)(C)C)CC1	2009404512	OCIUOUAYTRDAOY-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
C/C=C/CCCC1(N)CC2(CCCCCC2)C1	2009566247	BXNGNHCUORPHSO-NSCUHMNNSA-N	235.415	4.565	0	10	BJAE	
CC=CCCC[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2009574474	BDQMLXRBGRIFNF-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)(CC)CN(C)CCCC1(C)CC1	2011184712	UNOWQHARONAIPW-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CCCCCC12CC2	2011271791	MXTINIYJXNHPNV-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H]1CC(=O)CC2(CCC2)C1	2012084361	NRHFLMYQCORICL-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](CNC)(C[C@H](C)CC(C)(C)C)C(C)C	2012422170	TTWPLUQLZNJJGG-ZBFHGGJFSA-N	241.463	4.721	0	10	BJAE	
OCCCCC1CCC2(CCCCCC2)CC1	2013203714	ABDVAPKGUFQKNP-UHFFFAOYSA-N	238.415	4.680	0	10	BJAE	
Cc1c([C@H](O)[C@@H](C)C(C)C)sc2ccccc12	2014291155	GMRCTBKQVBJXBN-IINYFYTJSA-N	248.391	4.535	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H]1CCC1(C)C	2014845363	FBPONTVMHCSKJO-CJKAQPIMSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C[C@H](C)C(C)C	2015271740	OEYVIDCMRZAYAQ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C[C@@H](C)c1cccc(N)c1)C(C)C	2015411208	ZBXBMEFBSIHCND-CYBMUJFWSA-N	233.399	4.691	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CC[C@H](CC)C2)CCC1	2015598232	RLUFOPPAGRMHLX-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C[C@H]1C[C@H]1CC)NC	2016852674	SHXZJJBGBMQSJB-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(N(C)CC(C)=C(C)C)CC1	2017469158	QHLHVHDIHHYKND-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCCC1CCC(C[C@](O)(CC)C2CC2)CC1	2017649171	SREWJLGTFNCQON-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](O)C2CCCC2)CC1	2017651796	YJKSXMDCTXOBSO-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(C[C@H](O)C2CCCCC2)CC1	2017655606	FHKBMLAMZUNDII-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CCC2(C)C)CC1	2017729375	WDQZBHQUORLYKC-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CCC[C@H]1CC[C@H](C)CC1)NCC	2017739518	TYTMBIIGEWRXKO-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@@H](CC)[C@H]1C	2018138279	FFBRWPJNMQFNHL-LVQVYYBASA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCC(c2nc(C3(C)CC3)cs2)CC1	2018313195	XJQVHXDRBMXDRS-UHFFFAOYSA-N	249.423	4.878	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CCCCCCCC2)C1	2019202990	NKCSCTFOXXQBQU-HOTGVXAUSA-N	237.431	4.611	0	10	BJAE	
CC(C)CN(CCC(C)(C)C)C1CCCCC1	2020535376	GMSGCHZJDQYOOK-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCCN(C[C@@H](C)CC(C)(C)C)C1CCC1	2020636435	BTFZPDDYBOXSDI-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCc1cc(-c2cc(Cl)ccc2C)ccc1O	2020679385	ORCDRRGTGMNIHP-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1C[C@@H]1C1CCCC1	2022497868	DMYVSDXDHWVHBW-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](O)c1cc(C)cc(C)c1C	2024065903	ARZNLGVVYJFIQE-MRXNPFEDSA-N	234.383	4.616	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@H]1CCCC(C)(C)C1	2024094854	NCGWRHYDAGLUTG-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCNCCC=CC[C@H]1CCCC(C)(C)C1	2024094940	NTZNEXMKTLZLRV-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CC1(Cn2ccc3c(F)cccc32)CCCCC1	2027276872	WZVQELGSMCBRKO-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
Cc1ccc2ccn(CCC[C@H]3CC3(C)C)c2c1	2027832627	MMQHUCLOZVHIMQ-HNNXBMFYSA-N	241.378	4.776	0	10	BJAE	
CCc1ccc2c(c1)N[C@](C)(CCC(C)(C)C)O2	2027999292	OTFAZFANPALPCH-INIZCTEOSA-N	247.382	4.596	0	10	BJAE	
C[C@H]1CC(C2CCC(C(C)(C)C)CC2)=C[C@@H](N)C1	2028113647	ZGGPDGCNWQZLRA-QTISTPMNSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](c1cccc(C2CC2)c1)C(C)(C)CC	2028564010	ZMYVEKFRMNMAHW-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H](NCCC)c1ccc(C2CC2)cc1	2028589827	DJHPYKONGUEIQD-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CC1(CCC[C@H](N)[C@]23CCCC[C@H]2CCC3)CC1	2031755933	ABZFUTKYPGSNQL-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NC1(C)CCCCCC1)[C@]12CCCC[C@H]1C2	2033410848	XYGLAZWXKKXHRG-YQQAZPJKSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)c1ccccc1OC1C(C)(C)C1(C)C	2034044497	XPRCKHJVIINYRL-UHFFFAOYSA-N	246.394	4.798	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@H]1CCCC[C@H]1C	2035575961	LQLLXBQPNONOBH-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCC[C@H]1C[C@@H]1C=CCCC1	2035602500	WGXJSUTUBJJISU-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCCC1)CC1CC2(CC2)C1	2036755411	LZPCFHHKIDTJHK-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@H]2CC(C)=C[C@@H](C)C2)C1	2037045184	RFFMVTDNYGMVGY-CMZRPVNOSA-N	249.442	4.523	0	10	BJAE	
CC1(C[C@H]2CCCC[C@]23CCNC3)CCCCC1	2038649049	JQXSEVMIQKRMRD-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(NC[C@H]2CC23CCCCC3)cc1F	2039052145	UEUZPJBKFSSXKP-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C2CC3(CCC3)C2)CC1	2040643118	BSRZORVFZCLELX-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CN[C@H]2CCCC3(CCC3)C2)C1	2041292981	LPNZQYBKQDUVJO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1CCC(C)CC1)[C@@H]1CC=CCC1	2042018031	AQJMVDNLXHXOHG-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
NCC[C@H]1CCCC(=C[C@@H]2CCC=CCCC2)C1	2045321366	VFAXNHGOOXJNRO-HZPDHXFCSA-N	247.426	4.588	0	10	BJAE	
CN([C@H]1CCC12CCCC2)[C@@H]1CCCC(C)(C)C1	2045525517	VIJWJMQPFNJGNJ-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)[C@@H]2CCC[C@H](C)C2)c1	2049539445	GTZNASSIBPSFLJ-IACUBPJLSA-N	249.373	4.761	0	10	BJAE	
C1CCCCC(N[C@@H]2CCCC23CCC3)CCC1	2049677134	ZLVBPGKOMQNRGJ-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CC(C)c1cccc([C@@H](O)[C@H]2CC[C@H](C)CC2)c1	2049690105	PDVGSFOLLBSFKV-ZQIUZPCESA-N	246.394	4.670	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](N)CC1CCC2(CC1)CC2	2049851600	AGJJWJBBKOUSLK-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCC(NCCC2=CCCC2)CC1	2051592493	LZHUMVHGNVWUKC-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC1(C[C@@]2(CNC3CC3)CCCCC2(C)C)CC1	2053381763	HDQCMMJTMRUGNS-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)[C@H](NC[C@@H]2CCC=CCCC2)CCC1	2055552807	SNOCJOTVEAXSOM-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC(C)=C1C	2055553604	AMNWIRRPXJDXQI-ZACQAIPSSA-N	249.442	4.824	0	10	BJAE	
CC=CCCC[C@H](O)c1ccc2ccccc2c1	2059220715	DMXJYUAMUKQEQW-KRWDZBQOSA-N	240.346	4.620	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C(C)C)CC1)C1(CC)CC1	2061085054	OEVQCQZQQNDALS-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@]1(C2=CC[C@@H](C(C)C)CC2)CCCCCN1	2061089989	XLHJREKKDNUFSX-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@H](NC)C1CCC(C(C)(C)C)CC1	2061567271	WWSFPIAHDNVCIR-GPANFISMSA-N	249.442	4.548	0	10	BJAE	
CC1CCC([C@](C)(N)CC[C@]23CCC[C@H]2C3)CC1	2061601497	HTRZVVOFVYKXPX-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CC(=C2CCC2)C1)C1CCCCCC1	2061701127	HDVDSWAVBIXWDD-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2CC(=C3CCC3)C2)C1	2061702892	XFPWUNSSCJJYQT-WFASDCNBSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@H]1CCCCCC12CC2	2062015909	BZGCDJHHBGFXON-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)C1CC2(C1)CC(C)(C)C2	2062632472	XYQMWXYIOPPUIO-QWHCGFSZSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCC1CC1)C1C[C@H]2CCC[C@@H]2C1	2063404111	BEBHNEFKZKFFIY-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
O=C(CCC12CCC(CC1)CC2)c1ccccc1	2065277946	TXLOVTXITJZMHU-UHFFFAOYSA-N	242.362	4.620	0	10	BJAE	
CCN[C@H]1CC[C@@](C)(CC23CCC(CC2)CC3)C1	2065339787	PDQNVLMNYPKZBS-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N(C)C[C@@H]1C=CCCCC1)C1(C)CCCC1	2067600100	BSUZQIVDSMLGGA-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CCC[C@@]1(C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCN1	2068780464	PMBOBDUFDHGOKR-NXOAAHMSSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H]2CCN[C@@H]3CCCC[C@@H]23)CCC1	2069345622	WWXYEBKIOOOLLN-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C[C@@]23CCC[C@@H]2C3)CC1	2070926317	MFLBZINIWWXHGL-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1cccc(CC(C)C)c1	2071491388	XCJWGVVALYRSEQ-ZBFHGGJFSA-N	244.378	4.504	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCCCC23CCC3)CCC1	2071939447	AGNHAAYMYOJBSJ-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(C[C@@]2(CNC)C=CCCC2)CC1	2072798939	ODONWXGMGLAAON-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC[C@H](CN[C@]23CCCC[C@H]2CCC3)CC1	2072807950	BBOCXMJQTDHLMH-QAETUUGQSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@@H]2C(=O)C[C@H]3CC[C@H]2C3)CC1	2072876787	CWQDMFWJVIMKNW-XJCPWDRGSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(CC(=O)c2cc(C)co2)CC1	2072880922	BNVXVILYSQIIPM-UHFFFAOYSA-N	248.366	4.767	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)[C@@H]2CCCC3(CC3)C2)C1	2073776769	RNJGBDFWHIXRAV-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)c2ccccc2C(C)C)CC1	2074571222	JZCRBDQTRGDYKP-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC(C)(C)c1ccc(NCC2(CCF)CC2)cc1	2074648775	MNUOQZXFIFNNPM-UHFFFAOYSA-N	249.373	4.536	0	10	BJAE	
CCCC[C@H](CC)N(C)CC=Cc1ccccc1	2074920095	BNZPPYFDKKCGSN-KRWDZBQOSA-N	245.410	4.600	0	10	BJAE	
CCN(C[C@@]12CCCC[C@@H]1C2)C1CCCCCC1	2076548165	BWVHIHHEPPFBNV-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
CCCN(CC[C@]12CCC[C@@H]1C2)C1CCCCC1	2076589789	PDHWIWCYFAPZJK-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CCC1)C1CC=CC1	2077263556	YORSTAGDNSVCLT-CYBMUJFWSA-N	241.378	4.721	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@H]2C[C@@H]2C2CCC2)CCC1	2079318640	CMGFCNXXAIUFRP-KGLIPLIRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@H]1C[C@@H]1C1CCC1	2079439227	MXZRLWASBOOWMH-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@@H]1C1CCCCCC1)C1CC1	2079852641	RRXHTKOBTDAXML-VBNZEHGJSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@@H]1CCC[C@H]2CCCC[C@@H]21)C1CCCC1	2081140354	IZPFGAUTNRBYMD-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2CC23CCCC3)C1	2082985015	FZPXGPHZRDTKDT-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](C)CCc1nc2c([nH]1)[C@H](C)CCC2	2085941769	UWFCTBFPNPSRAH-CHWSQXEVSA-N	248.414	4.608	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)C[C@H]3CCC[C@H]2C3)CC1	2086163682	GTEXYBWBCOIAHK-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
Cc1csc(C(=O)C2CCCCCC2)c1C	2210578877	RFSGWHNQKUFKIM-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCC[C@](C)(N)CC1C[C@H]2CCC[C@H](C1)C2	2213295803	DEFLJWOKISFBLB-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]1[C@H](N)CCCCCCC1CC1	2213576601	RWPWAEDJSSJRFY-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](N)CCCCCCC1CC1	2213578908	BCTFYLRVHNPUJU-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CCCCCCC2CC2)C1	2213580146	XPTMWOYOXJWDJC-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC1CC(C[C@@H](O)CCCCCCC2CC2)C1	2213583480	SKGLDBPQZBLAOR-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C[C@@H](O)CCCCC1CC1)C(C)(C)C	2214565397	MPWNAHBPBLANLW-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CC1(C)CC(C)(C)C1	2215396397	SAWYLJIFAOLDSY-KGLIPLIRSA-N	240.431	4.636	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCCC(C)(F)F)CC1	2215824611	VHPAANKGOAAUAT-CYBMUJFWSA-N	244.325	4.518	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC)C1CCCCCC1	2217147981	AZCUXAGKDLUVTJ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)CC1CCCCC1	2217149251	HPNQYIYDQDFZMJ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NCC1(CC(C)(C)C(C)C)CCC1	2217150113	WSNRHSBQGTXBIN-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(CC)(CC)CNC1CCC1	2217151852	ZEVUIXXHIPDPSR-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1CC12CCCC2	2218719993	DQEDYKHWOQEWSA-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1C[C@@H]2CC[C@@H]2C1	2218731446	KICRGMHAQBKWBM-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(CN)CCCCC12CCC2	2220878883	OJMALYCFNNLTSC-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
CC(C)c1cc(N[C@H]2CCC[C@H](C)CC2)ccn1	2220884709	FJSCTFJGGVWTRN-KBPBESRZSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H]1CCCNC12CCCCC2	2220919605	PNVPBXDTAMSJDY-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@@H](N)CC2(C)CC3(CCC3)C2)CCC1	2221027939	LDVYOBSUASEHTP-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@H]1CC1(C)C)[C@@]1(C)CC=C(C)CC1	2221632691	RFRDUZWPGWOASB-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CCC[C@H]2C(C)C)CC1	2221642216	COKIBAPJKXHSAA-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](c1c(C)cccc1C)C1(C)CCCC1	2222011559	NJSQHEDTSJHWBC-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NC[C@@H]2C=CCCC2)C1	2222266112	KQGLMYOMJANPKK-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC=CCCCc1cccc(CC2CC2)c1	2245283848	QVNRRZCAJCTCDD-UHFFFAOYSA-N	214.352	4.538	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)CC1(C)CCCC1	2247122869	VICKJBPWNCEFGX-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CC[C@@H]1CCCC12CC2	2247618486	FOOVDMBATZVYCA-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@](CN)(CCCCC[C@@H]1C[C@@H]1C)C(C)C	2248846569	ULIPSSRLKKFDKI-ARFHVFGLSA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](C)C1CCC(C)CC1	2250382572	FBVLKXNAHQWXQM-LVDPKSTMSA-N	239.447	4.617	0	10	BJAE	
NCC1(CC[C@H]2CCCCC23CC3)CCCCC1	2253861094	CMWJVEDMZLNHOS-OAHLLOKOSA-N	249.442	4.646	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](N)CC[C@@H]1CCCCC12CC2	2253883887	NPAAZMUTTFMFBE-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C(C)(C)CC2=CCCCC2)C(=O)C1	2255135402	FDVSFODBVTUQJS-ZFWWWQNUSA-N	248.410	4.908	0	10	BJAE	
CCCCN(CC1=CCCCC1)c1ccccc1	2255207755	NHXNJOOUOVSURZ-UHFFFAOYSA-N	243.394	4.794	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)CCCCC12CC2	2257249942	XRKHXRYGTAAGQT-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC1CC2(C1)CC(N)(CCCCC[C@H]1C[C@H]1C)C2	2257318185	CBPXDORHTWGWPA-QZAQUIPZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CCCC[C@H]2F)c1	2257956983	OMCGJODUCGOFLE-HUUCEWRRSA-N	249.373	4.677	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)c1ccc(C)cc1C	2259455124	QXKMZVLEXNCXAS-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
CCCc1ccccc1[C@H](NC)[C@@H](CC)CCC	2259456306	VZBPOJPNPNBWQL-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CN(C[C@@]12CCCC[C@H]1CC2)C1CCCCCC1	2260613138	HJNRPJHZRJECMZ-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1C[C@]12CCCC[C@@H]1CC2	2260650542	FDFHNDGHPDLJCR-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC(=O)c1cccc(C2CCCC2)c1	2260730037	IANMBTNSPAMUAI-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCCc1ccc(-c2cc(C)c(N)cc2C)s1	2300640323	KYOWDHMIHPADIA-UHFFFAOYSA-N	245.391	4.567	0	10	BJAE	
CCCN[C@H](CCCCC(CC)CC)C1CC1	2300688260	LPDLFHBEGINISQ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCC(=O)C(F)(F)C1CCCC1	2300689249	WDWIZYDRMLKJPP-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H]1C[C@H]1NCC=C(C)CCCC(C)C	2300862537	FKSWIPASJXFDAE-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@@](C)(CC)CC1CCCCCC1	2301189250	RTRMZLPCMOGZSG-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CN(CCC1=CCCCC1)c1ccc(Cl)cc1	2301353931	VTHXMYCGNZNFJS-UHFFFAOYSA-N	249.785	4.667	0	10	BJAE	
CCC(CC)CC[C@@H](CCCCC1CC1)NC	2302570391	YGQNQPNVYGXDNU-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC(O)(CCC)CC[C@H]1CC[C@@H]1C1CC1	2303067196	MXRICOOIKTZZBO-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC)CC[C@H]1CCC(C)=C(C)C1	2303584807	SHJKRPVYCHXJSV-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CC[C@@](O)(CC[C@@H]2CCC(C)(C)C2)C1	2304399629	OKEQUFAQSFAHDC-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCCCCc1nc([C@@H]2CC23CCC3)cs1	2304508683	QNXUDBPKMFGSET-LBPRGKRZSA-N	249.423	4.924	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@@H](C)C1CCCCC1	2307904579	TZVDIIQARVMKAW-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)CC1(CNCC)CC(C)(C)C1	2307928969	SCWLCVXSCRTBAD-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](NCC)[C@@]1(C)CC=CCC1	2311564344	AQWQMYXQLGRFMC-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCCCN1C[C@@]12CCCC[C@@H]1CC2	2313315510	KBMTVFRYKKBTJA-IKGGRYGDSA-N	249.442	4.611	0	10	BJAE	
C[C@@]1(C(=O)C(CC2CC2)CC2CC2)CC=CCC1	2313691007	BXKXRSGZCRGDSR-QGZVFWFLSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H]2CC[C@H](C2)C1	2314421096	DKMBSXZDBOKAPL-JJTUDDRGSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H](C)C1CC=CC1	2315882439	DWIIDTCOBDBUTF-AWEZNQCLSA-N	243.394	4.885	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C1CC2(CCC2)C1	2316500589	AWKHVKVBECHHAS-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C1(CC2CCC2)CC1	2316869512	IJYRCWDNQZGMLF-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC[C@](O)(c1cccc(C)c1)[C@@H](C)[C@H](C)C(C)C	2317859435	PVPFKQZTCRAKKE-HLLBOEOZSA-N	248.410	4.521	0	10	BJAE	
CC(C)C1CC(CNCCCC2=CCCCC2)C1	2318593763	YFVZRXGXMKWTQN-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2C[C@H]3CCCC[C@H]32)C1	2319120215	AUONPLWZVZOJCA-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)C[C@@H]1CCC(C)(C)C1	2319122346	SWLFQRMMJLOKRA-YHUYYLMFSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2CC[C@H]2C2CC2)C1	2319495697	BBMURSWZPDGHLG-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@@H]2CC[C@H]2C(C)(C)C)CC1	2320224881	VRYRYEXNPNDCOK-DTZQCDIJSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C[C@H]2C[C@H]2CC)cc1	2320332225	WGMQIKYDHNVLGF-NSNWQYSKSA-N	246.394	4.670	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@@H](C)C2CCC2)c1	2320577444	DPUQLHXMTLOYQO-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)C[C@@H]3CCC[C@@H]3C2)C1	2321650494	UEPUJJQLGKCHLB-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](c1cc(C)ccc1C(C)C)C1(C)CC1	2327673586	QUBDYUXVLJQYOI-INIZCTEOSA-N	245.410	4.569	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CCCC[C@H]1C	20554176	LMJUOHQHFCXCKQ-MFKMUULPSA-N	237.774	4.639	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1)c1ccc(F)cc1	21012405	UPPRJXKIKXQULP-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CC(C)C[C@H](C)Nc1cccc(Cl)c1Cl	21041164	JMVANMGUNUPYJA-VIFPVBQESA-N	246.181	4.840	0	10	BJAE	
CCCC[C@@H](NCCC)c1ccc(CCC)cc1	35582811	JTNFKAJUSFOMFP-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CC1CCC(Nc2ccccc2C(C)(C)C)CC1	36956468	VBHRDPLNZPCIRI-UHFFFAOYSA-N	245.410	4.975	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@H](C)[C@@H]2C1	64624200	QAQCPAHQVOKALN-RMEBNNNOSA-N	208.389	4.741	0	10	BJAE	in-vitro
CCCCCC[C@@H](O)c1ccc(CCC)cc1	68874545	MVKMZPHFDLBRHU-MRXNPFEDSA-N	234.383	4.643	0	10	BJAE	
CC(C)CC[C@H](C)n1c(=S)[nH]c2ccccc21	69235013	XOEUJGLGGNTJHY-NSHDSACASA-N	248.395	4.696	0	10	BJAE	
CC(C)c1ccccc1[C@H](C)c1ccccc1	75842442	RVJXUBXQGJPVJW-CQSZACIVSA-N	224.347	4.962	0	10	BJAE	
Nc1oc2ccc(-c3ccccc3)cc2c1C1CC1	77072030	PZGGZVTZKBONLV-UHFFFAOYSA-N	249.313	4.559	0	10	BJAE	
CCC[C@H](C)[C@H](O)c1ccc(C)c2ccccc12	79905841	OMBBBIIMOWHDNP-GUYCJALGSA-N	242.362	4.618	0	10	BJAE	
CCCCC[C@H]1C[C@H](C(C)(C)C)CCC1=O	82434050	OSWJZBPKAJNPLD-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCC1CCC(C(=O)c2ccsc2)CC1	83780169	HRYQVXZMSVAPAL-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
Cc1cccc(-c2c(C)cccc2Cl)c1	85389116	HOOAMFRNZHKZPE-UHFFFAOYSA-N	216.711	4.624	0	10	BJAE	
Cc1ccc(F)c(-c2c(C)cccc2Cl)c1	85389179	WBSMGUDTZBSTDI-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(C)o2)CC1	86899624	UTZIFOFGHRHHEA-RRFJBIMHSA-N	249.398	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CCCCC1(C)C	94274855	PJXATCXMQCBZRL-GJZGRUSLSA-N	239.447	4.760	0	10	BJAE	
CC/C=C\C[C@@H](CCC)c1cccc(O)c1	107552494	OXOGFOZRMQQFMQ-CFHLNLSMSA-N	218.340	4.632	0	10	BJAE	
CC/C=C\C[C@@H](CCC)c1cccs1	107595124	IKALKZHVPBMDLF-FOQNGQEVSA-N	208.370	4.988	0	10	BJAE	
CCN[C@@H](C1=CCCC1)c1ccc(C(C)C)cc1	110229921	PAMMCCWDZLZSSB-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
Cc1ccc2oc(C(=O)CC3CCCC3)cc2c1	125748707	YJSPOCKVAJQIDE-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CC(C)CC[C@](C)(O)c1cc2ccccc2s1	127064954	ILIJTFBFXUZILY-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CCN[C@H](c1ccc(C2CCC2)cc1)[C@@H](C)CC	133187823	BMUPVSDBBLCEDR-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CCC(CC)CC(=O)c1ccc2ccccc2c1	148020311	MESOJPOHPMYXNA-UHFFFAOYSA-N	240.346	4.849	0	10	BJAE	
CCCNC[C@@H]1CC[C@H](CCC)C[C@H]1CCC	156134148	RKYLLRKZFQKPMV-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1ccccc1C(C)(C)C	163445788	RKSHPUKGJKSDFO-HNNXBMFYSA-N	247.426	4.810	0	10	BJAE	
C1CC[C@@H](CC2CCCC2)[C@H](CNC2CC2)CC1	211977201	CTQUKNKFZWHQPL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
c1ccc2[nH]c(C3CCCCCC3)cc2c1	215265129	DWMAVPLKFUVEEP-UHFFFAOYSA-N	213.324	4.606	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)CC1CCCCC1	226782618	LFFHLESCUXBLCI-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@@H]1CCC[C@@H](C)C1	226979974	WOMPDEBNWMWNNZ-OIISXLGYSA-N	246.394	4.501	0	10	BJAE	
CCN[C@@H](CCCC(C)C)c1cc(C)ccc1C	229179738	LIQICJSSHNGVSW-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCCC[C@H]2C)c1	232229281	QYVBHZXYWVXSPV-DGCLKSJQSA-N	237.774	4.639	0	10	BJAE	
CC[C@@](O)(C1=CCCCCCC1)c1ccccc1	233973885	YRTPIOCILCGIMT-QGZVFWFLSA-N	244.378	4.565	0	10	BJAE	
CCCCCC[C@]1(O)C[C@H](C)CC[C@H]1C(C)C	250835906	UVDIFFZYVVMZIG-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1CC[C@H](NCC)[C@H](C[C@H](C)CC)C1	251186454	SLCYMTGEAAKGMB-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@H]1CC[C@H](C)C1	251382671	WKIXYDMKMZUHKF-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(F)(F)c1cccc2ccccc12	259004972	NHORQAVFQSTZAS-UHFFFAOYSA-N	220.262	4.588	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@H](C)CC(C)C	302507234	BGVZCBDUZONPSB-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1ccccc1C(C)(C)C	302572169	PNSGDKVYRKBTJV-CZUORRHYSA-N	248.410	4.700	0	10	BJAE	
Cc1ccc(Cl)cc1OCCC1CCCC1	304168334	KGSIDIXBURANNH-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2/C=C/CCCCC2)c1	305939532	FSNQFFGIGYHFOL-VFADXPBXSA-N	229.367	4.604	0	10	BJAE	
N[C@@H](CCC1CCCC1)C(C1CCC1)C1CCC1	306101507	PQCWXLCXQPCPAO-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CCCCCC(C)C	308056693	BYVKKUSDTWDEAG-HOTGVXAUSA-N	241.463	4.993	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)c1cc(C)c(C)cc1C	308058588	FEWFHINGZMWYME-DOTOQJQBSA-N	247.426	4.684	0	10	BJAE	
CCC[C@H](NCC(C)(C)C1=CCCC1)C1CCC1	308769941	MARWPCXWWZWYBA-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)[C@H](C)CC(C)C	310109129	OPVZZEGXMBLVTE-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CC1CCC1)c1ccccc1C(C)C	311203300	INWWFVSAKZAONT-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1(C)CCCC1	380836356	RQQYGGSZQAGPQE-OAHLLOKOSA-N	225.420	4.502	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1CCC[C@H](C)C1	381105727	YUPHHNLZUAYMDU-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CN[C@@H](CCC1CCCC1)CC1(C)CCCC1	383795521	RYEUWARLBJLOPM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@@](C)(O)CCC(C)(C)C)c1ccccc1	384302762	JLFVMRUCCGHVEW-PBHICJAKSA-N	248.410	4.758	0	10	BJAE	
CC[C@@H](N[C@@H](C)c1ccc(C)cc1)C1CCCC1	387590441	SJLMKBRWDAZTAH-WMLDXEAASA-N	245.410	4.614	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@@H]1C[C@H]1CC	387813712	OJQFYWOBHYUXOB-KBRIMQKVSA-N	245.410	4.507	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1)c1cccc(C)c1	393975987	VXMFNBTZADAWDP-KRWDZBQOSA-N	239.362	4.867	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1sccc1Cl	395221443	MTFNINLKRCNZSZ-NSHDSACASA-N	246.803	4.651	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CCC[C@H](C)C1)C(C)(C)C	395414478	JGDRHUCGDHCQAD-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CCOc1cc2cc(C)cc(C(F)F)c2s1	396248203	RCJAGKICKRIPFI-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1c(C(F)F)c(C)cc2ccsc12	396252585	SCPSGAOVLWNULX-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
Cc1cccc(N[C@H]2CC[C@H]3C[C@H]2C3(C)C)c1C	400639547	JGXNNCLOOWQDSB-LZWOXQAQSA-N	243.394	4.540	0	10	BJAE	
CCN[C@H](C[C@@H]1CC=CCC1)CC(C)(C)C1CC1	405730165	LMZGHXVAWZPWDH-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCCC1CC1)NCC	405753014	SIXZHZYZMQWTMO-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
Cc1c(C(F)F)cc(Cl)cc1C(F)F	575677595	SKTFFWUGBXBHFU-UHFFFAOYSA-N	226.600	4.524	0	10	BJAE	
Clc1ccc(CC2CC=CC2)c(Cl)c1	606287288	ILOREWNLPMZQIA-UHFFFAOYSA-N	227.134	4.502	0	10	BJAE	
CCCC1([C@H](O)C[C@H](C)CC(C)(C)C)CCC1	686925266	BIZOBVMTHCZCBR-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](CCCC2CCC2)C1	688400354	DYDIQXVJRCTCMG-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
c1ccc(-c2cccc(NCC3CCC3)c2)cc1	689639072	CUMSCIWOSPLKJX-UHFFFAOYSA-N	237.346	4.566	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC(C)(C)CC[C@H]1CN	696805853	LGGBUXBKGBGTFS-KGLIPLIRSA-N	239.447	4.604	0	10	BJAE	
CCc1ccc([C@H](O)CC(C)(C)CC)cc1CC	697292284	KEKWUZZNRVVNAQ-MRXNPFEDSA-N	248.410	4.671	0	10	BJAE	
CCC(CC)C[C@@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	699051069	MAXPRXMTFPEXOV-XNRPHZJLSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCC23CCCC3)CC1	703214566	IQTGYZQBAGASHV-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
NC1(C2CCCCCC2)CCC2(CCCC2)CC1	704448393	COFVVGKOZHVKIK-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C1CCCCCCC1	704800377	YJHBGCSAVIMQAB-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(NC[C@H]2CCCC23CC3)CC1	706287957	FPOXSJBHLJUHCZ-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@H](CO)C[C@H](C)CC(C)(C)C	709107402	YLFSJDIMGVGSER-ZFWWWQNUSA-N	248.410	4.533	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CCCC1CCC1	709136935	WDGPCPAUOYXAEE-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H](C)C(C)(C)C	711126136	JQCZTHYDFMTWQF-MELADBBJSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C(C)(C)C(C)(C)C	711315406	OSRWVCOKRSZRGI-LBPRGKRZSA-N	228.420	4.636	0	10	BJAE	
Cc1ccccc1N[C@H]1CC(C)(C)CC[C@@H]1C	713022924	OHNFUMHBRSMWAA-ZFWWWQNUSA-N	231.383	4.622	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CC(C)(C)CC[C@H]1C	713094895	SCFCPFBRRZNZRU-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(C)c([C@@](C)(O)CC(C)(C)C(C)C)c1	713184537	UELBTEVJVMTOEH-KRWDZBQOSA-N	248.410	4.583	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)C[C@@H](C)CC(C)(C)C	713249870	NGRAIIQQTQSXQB-KGLIPLIRSA-N	242.447	4.882	0	10	BJAE	
C=C/C=C\CCC[C@H](C)c1ccccc1	713653471	BEINWSKJGUBKSU-WSNITJDQSA-N	200.325	4.703	0	10	BJAE	
CCCN[C@@H](CCC(C)(F)F)C[C@@H](C)CCC	714027596	MYWLQOYBRBQBSG-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@@H]1C1CC1)C1CCCCCCC1	714898242	CPKXGDYDODCXCD-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@H](C)C1CC1	718592034	FYGVCKJEODMJPB-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCCC2(CC2)C1	718775371	DTCAKXUYGJUDDV-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCCCC1(C)C	719309530	TUSCBBIXNBEQFE-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](c1ccc(C)c(C)c1)C1(C)CCC1	720707378	KDJCJHAEBQMOGS-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)CC1CC(C)(C)C1	723536661	ZQNXWTWGIUQJLH-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)CC[C@H]3CCCC[C@@H]3C2)C1	723610751	BEDKEZBWKVGZJP-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
OC[C@@H](CC1CCCCC1)C1CCCCCC1	829251795	KDCBENANEXAHOU-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
CCC[C@H](NC1CC2(CCCC2)C1)C1CCCC1	1206247037	DXILIGZNWHUPML-INIZCTEOSA-N	249.442	4.658	0	10	BJAE	
CCC1(CNC[C@H]2C(C)=CCC[C@H]2C)CCCC1	1650771639	PNZFWBSYIVYPIN-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC(SC2CCSCC2)CC1	1656461244	HBWFTGGWHAYLCU-UHFFFAOYSA-N	244.469	4.584	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@H](C)CC	1905434685	LVTKEZXLSBUNOH-RBSFLKMASA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1sc(C)cc1C	1905446592	UUVADZYOAAEGBT-CHWSQXEVSA-N	239.428	4.581	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1sc(C)cc1C	1905454726	UUVADZYOAAEGBT-QWHCGFSZSA-N	239.428	4.581	0	10	BJAE	
C[C@H](CC(=O)C[C@@]12CCCC[C@@H]1C2)C(C)(C)C	1909920585	HZNJQWARJBPNSQ-IOASZLSFSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H]1CCCCCCCC[C@@H]1CCC	1913396448	UVZXFIHRKXLIKH-HOTGVXAUSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)CC[C@H]1C[C@@H](C)CCC	1916014008	JZDSCFGDOVSGLV-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCC2(CCCC2)C1	1916439137	RLDPQKVKNGHBMQ-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(N)C[C@H]3CCC[C@@H](C3)C2)C1	1923475809	HWPNRMAXNPQPPI-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H](C)C1CCCCC1	1924110847	NBJURMJHJUAURD-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CCCCCC1CC1	1936421360	TXWYRHODBLWJBA-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCCCNC1CCCCCCCCC1	1938723045	UQTNKCBODUMYNC-UHFFFAOYSA-N	225.420	4.659	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CC2(C)CCCCC2)C1	1940378135	IZKXJNJEOSZSRI-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC1(CCC[C@@H](O)[C@H]2CCCCC2(C)C)CC1	1940873940	CXRWEHPYPZNGEI-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CNCCC[C@@H]1CC1(C)C	1940878731	WYPBWJHWWYKRHY-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)CC1CCCCC1	1941358600	NYHKTJHEIZPGCZ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(Cl)cc1NCC1CCC=CCC1	1941821310	LARTWIWJIOGRDU-UHFFFAOYSA-N	249.785	4.807	0	10	BJAE	
CC(C)CCC[C@H](O)[C@]12CCCC[C@H]1CCC2	1944147330	SMNIQBKBMDZGOP-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1C[C@@H]2CCCC[C@@H]2C1=O	1946324996	KSTRQJUAAYOZIY-ZNMIVQPWSA-N	234.383	4.518	0	10	BJAE	
FC(F)(F)c1ccc(CC[C@@H]2C=CCC2)cc1	1947551881	JOONASSSUXMTGT-LLVKDONJSA-N	240.268	4.604	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H]2C=CCC2)CC1	1947558378	JAZMSFHOMUGIKZ-SLTAFYQDSA-N	234.383	4.518	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CCC[C@H]1CC1(C)C	1948325683	HQTWTQFMKVHIBH-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CC(C)C1([C@H](N)CCCCCC2CC2)CCC1	1949082092	AHQWCMAXDPJNGH-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC=CC[C@@H](CCC)c1cccc(OC)c1	1951308686	LPMBXVOPJLXFOP-CQSZACIVSA-N	232.367	4.935	0	10	BJAE	
C1CCCC(CNCC23CCC(CC2)C3)CCC1	1962785472	DMQWLHRQWOXWRZ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCc1ccc(N[C@H](C)CCCC(C)C)cc1	1968314663	ZOFOYMZAUJRION-CQSZACIVSA-N	233.399	4.876	0	10	BJAE	
CC(C)(C)CN[C@H](c1ccccc1)C1CCCC1	1968634598	VJNSDYYIRXRZHH-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@@H](C)c2ccoc2)C1	1970466486	DMZQBLIKXDLMMU-DZKIICNBSA-N	249.398	4.535	0	10	BJAE	
CC[C@H](C)c1csc(-c2cc(C)cc(C)c2)n1	1970821854	KGINXBYBFMJGNE-LBPRGKRZSA-N	245.391	4.940	0	10	BJAE	
CC[C@H](CC1CC1)NC1C[C@H]2CCCCC[C@@H]2C1	1973613036	MIOJQRSGFOCBSZ-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@H](N)c1cc(C(F)F)cs1	1977078628	MDAASEPCOIFDMF-JTQLQIEISA-N	247.354	4.656	0	10	BJAE	
C1=C[C@H](C[C@H]2[C@H]3CCCCC[C@H]32)CCCC1	1980111175	ZZLXPAKKQJOFEF-JONQDZQNSA-N	218.384	4.949	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CC1(C)CCCCC1	1989801058	NIDVZJAFOWIZQC-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(C)cc1Cl	1989818148	FCJFWBXOBPFMAQ-NSHDSACASA-N	239.790	4.885	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1c(C)cccc1Cl	1989819235	QEDPIUPVMVLXLI-NSHDSACASA-N	239.790	4.885	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cccc(Cl)n1	1990098229	MLYDNYMOTGZWIT-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
C/C=C/CCC[C@@H](O)CC[C@@H](C)CCCC	1995258439	DOBHZBPPFVABTL-UNCXAERMSA-N	226.404	4.700	0	10	BJAE	
CCC(CC)CN(C)[C@@H](C)C1(C)CCCCC1	1995970083	GCFZILGZSASOCQ-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H]1CC=CCC1	1997545225	ARBRFWUWAYMFPS-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CCC(=O)C1(C)CCCCCC1)C(F)F	2000212380	VTSCVVJPVRPYKN-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC1([C@H](CCC(C)(C)CC)NC)CCC1	2000321546	DRIWZVYYACFALH-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@H]1CC12CCCCC2	2001255843	OWXQOECPGYOCNY-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)CC(=O)CC1[C@H]2CCCCC[C@H]12	2002218619	IQMZDYDDVOJBPN-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@](C)(N)C1CC(C(C)(C)C)C1	2002324914	ATSHYQASRQDKBR-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C[C@H](CC)C(C)(C)C)CC1(C)CC1	2002513350	AGYMJSLQQUOVFH-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC=CCN[C@H](C)C1CCC(CCC)CC1	2002925874	VFSVIZJZCZHCCV-QQFBHYJXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CCC1CCC2(CC1)CC2)NCC	2003212717	YXZPLESLTNMQHG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C(CCC)CCC	2004235362	YMWHBEOOFGKWTN-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CC[C@]1(C)CCCN(C[C@@H](C)CC(C)C)CC1	2004338368	CRUKFZYQZTURFU-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
CC[C@H](N[C@@H](C)C1(C)CCC1)C1CCCCC1	2004833462	JZTAVVYTSSUEOD-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
C[C@H](N[C@@H]1CCCC(C)(C)CC1)C1(C)CCC1	2004834711	PLMHWXAYCAZKEL-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC1([C@H](O)C2CCCCC2)CCCCCCC1	2004919859	DPPOOYXQKBJRNG-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC(C)=CCC[C@@H](O)C1(C)CCCCCCC1	2004924291	ZLMGEPJORMKILE-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C2(C)CCCCCCC2)C1	2004943618	DVJJRPLCDARINC-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@]1(C(=O)O)CCCCC1(C)C	2005589417	MXAKBOAMOZHGDP-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(CF)cc1	2007023455	DGAVOEZMQIWOFZ-ZDUSSCGKSA-N	237.362	4.927	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)C=C1CCCCC1	2007942891	LGZWEUAQJLGQRP-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@]1(CNC)CCC[C@H](CC)C1	2009630251	VESFWJOHHDPELS-IRJXADNDSA-N	237.431	4.539	0	10	BJAE	
CCCCCC1CC(N[C@H](C)CC2CCC2)C1	2009712014	GZGGQDOMQZKUSS-IUDNXUCKSA-N	237.431	4.514	0	10	BJAE	
CCCCCC1CC(O)(CCC2CCCC2)C1	2009716717	YETBJIJVJAUSRB-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@](N)(C1=CC[C@H](C(C)(C)C)CC1)C(C)C	2010739049	OYNQPUARSITPSS-BBRMVZONSA-N	237.431	4.523	0	10	BJAE	
CCC1CCC([C@H]2CC(=O)CC(C)(C)C2)CC1	2012083588	IGODIZPZENGTAK-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)C(=O)CC12CCC(CC1)CC2	2012796782	JXVQRGQABWPICL-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)NC[C@H]1CCCC1(C)C	2013267109	NUAWWRSDGFOQSJ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C)C1(C)CCCC1	2014339743	NNPFEGSXRGEKMF-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC(C(C)C)C(C)C	2015283649	GNWLCYYBCCOFNY-INIZCTEOSA-N	241.463	4.848	0	10	BJAE	
CCCN[C@@H](CC(C)C)CC(C(C)C)C(C)C	2015290082	HJPUYKTVEUTJHG-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CCNC[C@H](C)[C@@H](C)CCC(C(C)C)C(C)C	2015342903	AGLXIDMPYPIGCM-GJZGRUSLSA-N	241.463	4.577	0	10	BJAE	
CCC1(CC(=O)[C@H]2C(C)=CCC[C@H]2C)CCC1	2015584198	FLFRVIZKEKFHBT-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC1(C(C)(C)C)CCC1	2017118676	JRYRWOXIJPOYEF-ZDUSSCGKSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(C[C@@](N)(CC)C2CC2)CC1	2017729394	WJDRIWWMRNATMP-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)CC1CC(C2CC2)C1	2018130939	LXFUZGYPMUARDX-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCN(C)C1CC(CC)(CC)C1	2019380105	PIJRBYPJDDWTBF-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1C=CCCCC1	2019499372	ZOJXPCFQCQVDSB-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CCNc1ccccc1C1CC1	2021025875	DWTZDJNKIKWFSQ-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CC(C)=CCCc1ccc2c(c1)CCC2(C)C	2023639559	BZZDQNSBMLKPMP-UHFFFAOYSA-N	228.379	4.809	0	10	BJAE	
CCNCCC(C)(C)C[C@H]1CCCC(C)(C)C1	2024094554	KZZHRCXJOYYEBS-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCCC(C)(F)F	2026166666	LKTYRTOFGRSEQF-STQMWFEESA-N	249.389	4.746	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)CC1CC(C)(C)C1	2027519052	YQKDWPNXGHANCO-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
Cc1ccc2c(c1)NC(CC(C)C)(CC(C)C)O2	2027860800	QNBRASIXDQGEMF-UHFFFAOYSA-N	247.382	4.588	0	10	BJAE	
CCCc1ccccc1[C@H](O)C1=CCCCCC1	2027899828	RNYJRSPMAYVKMK-QGZVFWFLSA-N	244.378	4.563	0	10	BJAE	
C[C@](N)(CCCC1CCC1)[C@H]1CC2CCC1CC2	2028485617	PGVATAHLGDZBIW-GQGLESIBSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)CCC1CCC1	2028926274	GXDMELVAFPTBNC-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(=CCCNC1CC1)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2031822166	YOLQXAAWTRTPBO-ZSHCYNCHSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)[C@H]1CC12CCC2	2032134411	HLEOCKDKBIMGJO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](Nc1ccc(C2(C)CC2)cc1)[C@@H]1C[C@@H]1C	2032243463	VPRPVCROANMFSQ-MAZHCROVSA-N	243.394	4.585	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC1(N)CCC2(CCCC2)CC1	2032504584	BXCFBQMCAZBJOW-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](NCCC1(C)CCCCC1)c1ccco1	2033214216	HOIORQWJORXXHY-AWEZNQCLSA-N	249.398	4.681	0	10	BJAE	
CC1(C)C2CCC1(C(=O)CCC1CCCC1)CC2	2033434156	APGXXCVYTJDSTB-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)c1cccc(C)c1	2035400170	LYRVFEZAEWHRHW-INMHGKMJSA-N	245.410	4.614	0	10	BJAE	
CC1(C)CC[C@H](N)[C@H]([C@H]2CCC3(CCCC3)C2)C1	2037685591	HIBDBSLDBDBFCA-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCCC=CCNC1CC2(CCC(C)(C)CC2)C1	2038941074	QFPDUOZYRBOSJT-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)CC1CCC(C)CC1	2039434471	JMSFORJJQLKGBD-LUHSLWQASA-N	249.442	4.523	0	10	BJAE	
CC1CC([C@@H](C)N[C@H]2CCCCC23CCCC3)C1	2043547322	PCJJRMCBBRISNJ-KNIAUWFNSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@@H]1CCC12CCCCC2	2043682484	HJJAKTDQAYBKHN-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
O=C(CC1C[C@H]2C[C@@H]2C1)C[C@@H]1CCC=CCCC1	2045307026	GBWMXQNYTMENLC-KBMXLJTQSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc(C)c(NC[C@H]2CCC=CCCC2)c1	2045328515	FXSVHEJQCKCOGT-INIZCTEOSA-N	243.394	4.852	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)C1	2045451758	WCIOYAJEOFNFPK-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)CC(=O)[C@H](c1ccccc1)C(C)C	2045673021	APPUGNKHOIGQLG-INIZCTEOSA-N	246.394	4.822	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)c1cc(C)ccc1C	2045730184	MPLNOPXUUQCILX-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1CC[C@H](NC2CC3(CCCCCC3)C2)[C@@H]1C	2046230464	SCKFQJAUNGNISO-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@@H]2CC23CCCC3)CC1	2047011549	XXVPPYPBAKVUMZ-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@H]1CC12CCCCC2	2047060863	AUOCGUAQMNRYDF-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047409405	NWDJTJHPSXSKSI-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@H]1CCCCC12CC2	2053415263	HCGYACGWBZUSNV-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1N[C@@H]1C=CCCC1(C)C	2055531958	KVTVZIAAPMHSEE-RBSFLKMASA-N	249.442	4.536	0	10	BJAE	
CC1=C(C)[C@](O)([C@@H]2CCC3(CCCC3)C2)CCC1	2055593454	BEFWDYYVYOUTKW-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCCC1=C1CC2(CCC(N)CC2)C1	2056618508	HHXOHLZPBCRCEZ-KTAKPFMOSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@H]1CC[C@H](CC)CC1	2056876011	MJQGWOYGLSVQDY-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCC	2059253274	PFWGTOKWHZPHIJ-TXWCRZDGSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H]1CC12CCCCC2	2059254070	WWEJCQQPEVLMBF-KADIJHKTSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@](N)(C1=CCC(C)(C)CC1)C1CCCC1	2061111588	WOPXPOOBAOUUFV-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C12CCCC1CCC2	2063852659	PKZVVDQWWHQLNF-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CN1CCC2=C(CCCC2)C1)CC(C)(C)C	2065851107	WONHHAGTAUKYCI-AWEZNQCLSA-N	249.442	4.635	0	10	BJAE	
C[C@H](NC[C@@H]1CCCCC12CC2)C1(C)CCCC1	2067521729	UDQGJCIIJUJRGD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC(N[C@H]2CCCC3(CC3)C2)C1	2067989334	WHLDAPXTIWVFDR-SLTAFYQDSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068768169	ICIWPIDTFGEJRB-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C)CC1)C1(CC(C)C)CC1	2069520006	RVFYGUUIUNUARE-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C[C@]23CCC[C@@H]2C3)C1	2070927793	WAJJHIMOYNBVKR-HDEZJCGLSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@@](C)(N)C2CC3(CCC3)C2)CCC1	2071950894	RDEBMLCCMIWHER-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CNC[C@H]2C=CCCCC2)CC1	2072703770	DNKDLAWIIQWINU-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCCC1CCC(C[C@H]2CCC(C)=C[C@@H]2N)CC1	2072806612	NNCGYKPHWFADSL-BACDZXNISA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](C=C2CCC[C@H](CCN)C2)CC1	2072814954	HWOLEEFOIYDHOL-BZUAXINKSA-N	249.442	4.668	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@]12CCCC[C@@H]1C2	2074025603	PNFWJDDTOVZJCF-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@@]23CCCC[C@@H]2C3)CC1	2074030285	SGWVAXDVMCQWII-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C=C1CCNC2(CCCC2)C1)CC	2074135273	UKAICZXUEGJVHM-HNNXBMFYSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCCC3(CCC3)CC2)C1	2074892894	QGSIYWVEJLPTIM-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC(C)CCN(C1CC1)[C@H]1CCC12CCCCC2	2075013092	PDZQIEPSQVSPHU-INIZCTEOSA-N	249.442	4.610	0	10	BJAE	
CN(C1CC(CC(C)(C)C)C1)[C@H]1C=CCCCC1	2075409808	UFOPTLHIJZSCAQ-PCKAHOCUSA-N	249.442	4.632	0	10	BJAE	
CCCCN(C[C@@]12CCCC[C@H]1C2)C1CCCC1	2076584737	IOXRYRNBSVTORO-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CC[C@H](C=C[C@]2(C)CNC(C)(C)C2)CC1	2078850510	QOTCOOYVPYYKAR-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C1CCCC([C@@H]2C[C@@H]2NCCCCC2CC2)CC1	2079533251	YJXCZIVNNWCIDK-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
NC1(C[C@@H]2C[C@@H]2C2CCCC2)CCCCCCC1	2079665993	OQKTZUFFBVGYPI-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)c1ccccc1CC	2081208841	JIZAZCWYEZHYGT-HUUCEWRRSA-N	247.426	4.868	0	10	BJAE	
C[C@@H]1CCC[C@](CNC(C)(C)C)([C@H]2C=CCC2)C1	2081682377	USPKNKJFNPWBGF-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC1CCC2(CC1)CC2	2081785594	MQYWTBZFPRWVGO-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C[C@@H]1CC12CCCCC2)[C@H]1CC[C@@H](N)CC1	2082133969	QCSZMCMCSRYQCU-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](C)NCC1C2(CCC2)C12CCC2	2083559241	PUTIDLLUGJFJJT-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H](C)C(=O)CC1CC2(C1)CC1(CCC1)C2	2083605996	NKCMLJIYWYLBNT-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
CCCCCCc1ccc([C@H](C)NCC)s1	2210508358	NWFNWSFIIQKSKW-LBPRGKRZSA-N	239.428	4.541	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1scc(C)c1C	2210577267	IVNMPDMOTHBVFQ-CYBMUJFWSA-N	237.412	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2(C)CC(C)(C)C2)C1	2215441775	ZOSMUJCAQQQPLK-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CNC1CCC1)C1CCCCCC1	2217157291	RSPAWEOMDDKGJW-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1(C)CC(N)(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218356390	AMLQWUMUMSVERN-FWTFNCGHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(CC1CC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218362205	VBTOUPVRNRRRFM-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC=Cc1ccccc1	2219070169	IMTCSQIUQAUVRZ-KRWDZBQOSA-N	246.394	4.667	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CC2(C)C)CC=C(C)CC1	2223588790	JIFPMDDRCUFMRT-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)c1cccc2ccoc12	2224181562	QHSZSOWKNWRQAB-SWLSCSKDSA-N	245.366	4.520	0	10	BJAE	
CN[C@H](CCCC(C)C)c1ccc2occc2c1	2224186108	CXEFHUXNLSINPG-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CCC[C@H](CC)C(=O)[C@H]1CCC[C@@H](CC)C1	2244775297	MKLOYANGFOUYDE-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](O)C(C)(C)C	2244839791	BFPFFKWKXFXYEJ-KBPBESRZSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C[C@@H]1CCCCC12CC2	2246614150	IHIVWXNPEYOTRO-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](N)(CC)c1cc2ccccc2s1	2246946914	SGXIQVWGLXTYFP-HNNXBMFYSA-N	247.407	4.656	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)c1cc2ccccc2s1	2246952162	KOZWJILAVRSGKY-HNNXBMFYSA-N	247.407	4.511	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C(C)(C)C(C)C	2247491475	ZQAACURCUCZZFP-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)CCCCC[C@@H]1C[C@H]1C	2248805200	FKYPMGUXNFJCKX-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CCCC(C)(C)[C@H](N)CCCCC[C@@H]1C[C@@H]1C	2248879900	PCKSWKNLHAHQEY-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cccc2sccc12	2250385640	RQEDQHLOVPUCDJ-NHYWBVRUSA-N	247.407	4.727	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)C1CC(CC(C)(C)C)C1	2251538674	QUDCWORYUHKLCR-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CCC1CC(C)C1)C[C@@H](C)CC	2251756861	GZCASNVFAIEQTO-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCc2cccc(C)c2N1	2253870722	ZWVSGTFVXMCVOT-HNNXBMFYSA-N	245.410	4.938	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCC[C@H]3CC[C@H]32)C1	2254004027	QXTLZSUBPPEPIC-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@]1(C2CC2)CCCCCN1	2254512288	OBGPUHRJTWJOCY-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)CCCCC[C@@H]2C[C@@H]2C)cc1	2254526972	CCYZYAJJNHCHPD-GOEBONIOSA-N	244.378	4.784	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@@H]2CCC2(C)C)Nc2ccccc21	2254829702	FKVPXXCFDFNIID-RDBSUJKOSA-N	243.394	4.801	0	10	BJAE	
CC[C@H]1CC[C@H](CN(C)CC2=CCCCC2)CC1	2255135894	DRDBWZQEWPZDGV-JCNLHEQBSA-N	249.442	4.635	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCC[C@H](CC)C1	2256116332	YAIYUJVGZSQBLE-GXTWGEPZSA-N	249.373	4.769	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@H]1CCCC12CC2	2257255886	KYMRIIQGVFETEG-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCC[C@H]1C[C@H]1C)C1(C)CC=CC1	2257304336	AXUXXTFOYLCLPG-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
c1cc2c(c(OC3CCCCCC3)c1)CCCC2	2257464604	NENNDFGZULARME-UHFFFAOYSA-N	244.378	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CNc1cccc(C(C)(C)C)c1	2257963115	RZDCKYCBURUGEB-ZIAGYGMSSA-N	245.410	4.832	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@]23CCCC[C@@H]2CC3)C1	2260546730	CNDLXXZGRZOQQJ-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@](C)(NC[C@]23CCCC[C@H]2CC3)C1	2260581352	DFQRNGRVRIAKSG-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C[C@]12CCCC[C@@H]1CC2	2260606155	PUFRIOTXZLYSOS-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](C[C@]23CCC[C@@H]2CC3)NC)CCCC1	2260613839	XUXQUTBLUOOPHG-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CC[C@@H]1C[C@@H]1CC	2298126848	HZRSRJVGUTVUHP-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@@]12CCCC[C@@H]1CC2	2298724423	WICUGDJYSXBLQC-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@H](N)C1(CC2CC2)CCC1	2300705661	GVCDDKOWPFPWSA-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)CC)CC[C@@H](C)C1	2300860576	IXFFPIHPFVDYSR-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC[C@](O)(CC=C(C)CCCC(C)C)C(C)C	2300914223	ORWMYESDDMVIQG-INIZCTEOSA-N	240.431	4.946	0	10	BJAE	
CCCc1ccccc1N[C@H](C)[C@H](C)C(C)C	2301961321	JPLRNECTDIBWPD-ZIAGYGMSSA-N	233.399	4.732	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@@H](C)[C@H](C)C(C)C	2301984189	PEFBRTDWZGLTFO-PMPSAXMXSA-N	241.463	4.958	0	10	BJAE	
CC(C)CCCCCCN[C@@H]1CC(C)(C)[C@H]1C	2302083566	PZMSKHMYLOPNIY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCc1nc(Cl)cc2ccccc12	2302232056	ZRPUEAHBMTZJEN-UHFFFAOYSA-N	247.769	4.867	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@@H](C)CC(C)C	2302581240	ZELOQEBLRRRSCJ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)C[C@H]1CCC(C)=C(C)C1	2303519304	DEGFPCISYJBLKP-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCC(C)=C(C)C1)CC(C)C	2303585865	YFIHCTUCYRJKNZ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CC)C1CCCCC1	2307816344	DFHXIKGQAHIERE-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(C)(C)C[C@@H]1CN	2307825766	FJFCGNHHZJENCR-SOUVJXGZSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(C)(C)[C@@H](NC)C1	2307906417	FDDVGROBKUBZFS-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@]1(N)C[C@@H](C)CCC1=C(C)C	2311611372	UZPCBMRXCOCVPD-IVSAIRAKSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2313320751	ZQQHAXVJJLVICS-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CCC1)N(C)[C@H]1CCC12CCCCC2	2313607739	FGBLRLOTOKTLFG-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CCC(CC)CC[C@]1(CNC2CC2)C=CCCC1	2316246899	YUIJGICEESBLMH-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1C[C@@H]1c1ccccc1	2316273524	PGSWSZFKTJEMSD-HZPDHXFCSA-N	244.378	4.576	0	10	BJAE	
CCN[C@@H]1[C@H](CC=C(C)CC)C[C@@H]2CCCC[C@H]21	2316531070	APWMXUYFFXGDEY-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@H](N)C1(C2CC2)CC1)CCCC(C)C	2316553233	XOAJRTKGHJOBOK-INIZCTEOSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](Nc1cc(F)ccc1C(C)C)C1CCC1	2317933152	CJDNHTUTVBFHAD-OAHLLOKOSA-N	249.373	4.940	0	10	BJAE	
CC1(C)CC(C)(CNCCCC2=CCCCC2)C1	2318512086	PRGLDAAVTFWFNL-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CN[C@@H]1CCC[C@H](CCCC2=CCCCC2)[C@H]1C	2318583301	NMFCNKJYZFTESG-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@H]1C[C@@H]1C(C)C	2318593915	ZOPUBXWZGUFLOK-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H](C)[C@@H]2CCC2(C)C)CC1	2320229995	CFUVPHXMGMAAPE-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](C[C@H]2CCC(C)=C(C)C2)C1	2320334147	MKBCBPSLKKSADV-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](NCCCC2=CCCCC2)CC1	2320374436	YVQBNSHAYACHJP-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@]1(C)CC1(C)C	2320388804	UHIRPQMDCQZGNB-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H](C)C1CC1	2320388918	VMGZYEARCJEJAM-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CCCN[C@H](CC2CC2)C2CC2)CC1	2320513179	HYJFEQQEXZLIBU-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](O)Cc1cccc(C(C)C)c1	2320652831	DAISKWXQJMLUFO-MRXNPFEDSA-N	248.410	4.540	0	10	BJAE	
CC1(C)CC[C@@H](CCNC2(C3CCC3)CCC2)C1	2321523375	ADILUDMNPUOZNU-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CCNC[C@H]2C=CCCCC2)C1	2321614758	YSWGLZVGHOJKLO-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)C[C@H]2CC2(C)C)c1	2327673007	KUWYGKLHZDPNCW-XJKSGUPXSA-N	245.410	4.554	0	10	BJAE	
CC(C)(C)[C@H](N)c1ccc(C2CCCCC2)cc1	20019317	QEGPTOZDHSZSND-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
Cc1ccc(NC[C@@H](C)c2ccccc2)cc1C	21011093	WXMODWWIOGTLJH-OAHLLOKOSA-N	239.362	4.519	0	10	BJAE	
CC(C)(C)c1ccc([C@H](O)C2CCCCC2)cc1	32102649	UZCBDRPTFMYSIV-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)c1ccccc1C(C)C	33867459	WHUFBEHCKUVMNM-PBHICJAKSA-N	246.394	4.598	0	10	BJAE	
Cc1ccc(-c2csc(Cl)c2)c(C)c1	34586408	XOSQXCAOKRVPFS-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CCC[C@@H](N[C@H](C)CC(C)C)c1ccccc1	37118022	OXEQIAUIGVBPEI-GDBMZVCRSA-N	233.399	4.552	0	10	BJAE	
CCC[C@H](C)N[C@H](CC(C)(C)C)c1ccccc1	37128554	HJJDMZPMBZUAQF-GOEBONIOSA-N	247.426	4.942	0	10	BJAE	
CCCC[C@H](C)Nc1cccc(C(F)(F)F)c1	37196456	UQXIKCFDQDPVJH-JTQLQIEISA-N	245.288	4.696	0	10	BJAE	
CC[C@@H](Nc1ccc(Cl)cc1C)c1ccco1	54083058	SCSPVPVVFKAMBS-GFCCVEGCSA-N	249.741	4.805	0	10	BJAE	
Cc1[nH]c(C(=O)C[C@H](C)CC(C)(C)C)c(C)c1C	69233646	NINZXERMCFZXRK-JTQLQIEISA-N	249.398	4.585	0	10	BJAE	
CCCC[C@H](CC)NCc1ccc(C(C)C)cc1	69378645	IJDHFHYVMSQIJX-KRWDZBQOSA-N	247.426	4.868	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H](C)C(C)(C)C)s1	82628089	YBOHJZXKPMJKTH-SNVBAGLBSA-N	238.396	4.566	0	10	BJAE	
CCCCCC[C@H](N)C1CCC(C)(C)CC1	83778710	XQDLKBKBJHHPKB-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](CC)c1cccs1	83863972	UNYALOFRIBLQFK-XQQFMLRXSA-N	239.428	4.614	0	10	BJAE	
CCC1CCC([C@@](O)(CC)c2ccccc2)CC1	85077260	ZTKVJTUQMUWIAW-BDVYOWHSSA-N	246.394	4.501	0	10	BJAE	
CC1(C)CCC[C@H](Nc2ccc(F)cc2)CC1	86893865	OQNKEDQMFJGRBQ-ZDUSSCGKSA-N	235.346	4.597	0	10	BJAE	
CCCCC[C@](C)(O)[C@H]1CCC[C@H](CC)C1	87649189	WTJOVFBTNINUET-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCC[C@H](CC)CC1	88296810	RLSJKAWVXZOZOW-VGWMRTNUSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](C)[C@@H]1CCC[C@H](C(C)(C)C)CC1	91354068	KLTFIFGUQJUOBQ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](Nc1cc(C)cc(F)c1)c1ccccc1	91510527	QADCKIJOFBVENW-MRXNPFEDSA-N	243.325	4.697	0	10	BJAE	
CCCCCC(C)(C)CNC1CCCCCC1	94984374	HWTVSVAAZZUUMN-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCc2ccccc2C1=O	103930296	AJNQFEUJFHANDR-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CCC(CC)[C@H](C)NCC[C@H](C)c1ccccc1	111666736	RWFLGFSUHUCASV-GJZGRUSLSA-N	247.426	4.595	0	10	BJAE	
CCCc1cccc([C@H](NCC)C(C)(C)CC)c1	131589073	PDMIHVVDMMNAAW-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCCCCC[C@H](CNCC(C)C)C(C)(C)C	162417315	FLJHFIBWDBKTEK-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
O=C1CCCC[C@H](c2cccc3ccsc23)C1	163419940	LRRUSXQLTYYIDX-LBPRGKRZSA-N	244.359	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1cc(C)ccc1C	165764472	ZCUSOOJHVGJATE-CABCVRRESA-N	244.378	4.703	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCC[C@@H](C(C)C)CC1	167645792	VTHRCBWZSXHFHI-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C1=CCCCCC1	203418859	JNGGLIYHVXKGIU-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](C)c1cc(C)cc(C)c1	212594066	MDEKFRDYYIFQFR-RDJZCZTQSA-N	247.426	4.575	0	10	BJAE	
C[C@H](Nc1ccccc1)c1ccc(Cl)c(F)c1	212785504	GROBNAHAYYQICR-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CC(C)CCCCN[C@@H]1CCCC[C@@H]1C(C)C	214646162	IKCPEGUVMVZISP-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)C(C)(C)CC	229151740	USBHVQPZJHAGBY-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@H](N)c1ccc(C(C)(C)C)cc1	229165409	HMJBTOPPYHPYMK-INIZCTEOSA-N	247.426	4.810	0	10	BJAE	
CN[C@H](CCCC(C)C)CCC1CCCCC1	229170666	DHCOMIZLVJUJHT-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCC[C@@H](CC(C)C)C1	230771220	JVPIFPYIZVVAEE-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)C2(C)CCCCC2)C1	234091545	AEZXWKDKJRRMJT-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)/C=C/B1CC(C)(C)C(C)(C)C1	238113226	SRCJOTOYECEPHH-CMDGGOBGSA-N	206.182	4.689	0	10	BJAE	
CCCc1ccccc1N[C@@H]1C[C@@H](C)CC[C@H]1C	249722783	LNAWMSLLIDSRKV-JJRVBVJISA-N	245.410	4.876	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H]1CCCCC[C@H]1C	252032106	ZLPIDDYAIAUQCO-FZKCQIBNSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)c1cc(Cl)cs1	300980477	UCSGZJJICRDARO-GXSJLCMTSA-N	246.803	4.507	0	10	BJAE	
C1=C/[C@@H](NC2CCCCCCC2)CCCCC/1	302488294	RTFSHJNOMUHFIH-XKOZXHHJSA-N	235.415	4.578	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@]1(O)CCC1CCCCC1	305897169	OINNLTLSPWLHJX-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
Cc1c(Cl)c(C(F)F)cc2ccsc12	307118504	WYZUQKBOHHYNFK-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCC(C)(C)C(C)(C)C	310130358	AGJJAJWMALBXRV-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CC2(C)CCCC2)C1	310181168	XDRYICHDTKPYFY-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CCCCC[C@H](C)NC[C@@H](C)C1CCCCC1	310239884	IIUNBTFXSJBHOP-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CCC[C@@H](O)C(C)(C)C)C1CCCCC1	310355078	RQSWDHQZZMCEKA-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H](C)CNc1ccccc1C(C)(C)C	310497220	PZJWROCJPFKDOC-CYBMUJFWSA-N	233.399	4.688	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)CC1CCC(C)CC1	310554934	XYMAWCHBIFUVEW-PWUWZPNHSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](NC(C2CCC2)C2CCC2)CC1	310656629	QAFMXQOMFFAYCG-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CCCc1nc2ccccc2n1[C@H](C)CC(C)C	310746379	JDYVBUOJTKTUNG-CYBMUJFWSA-N	244.382	4.596	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@H]2CC3CCC2CC3)C1	311180527	XMFYQSNGLZOTBX-CBDKUPKJSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)C)CCC[C@H](C)C1	317011170	AACPZJXURYWUOM-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](CN)c1ccc(C(C)C)cc1	319553627	GVJAKGVCAJTKMM-VBQJREDUSA-N	247.426	4.535	0	10	BJAE	
CC[C@](O)(C[C@@H]1CCC[C@H](C)C1)c1ccccc1	380955448	RFJSDDRQNAIWQV-UXLLHSPISA-N	246.394	4.501	0	10	BJAE	
CC(C)CCCCCc1cccc2c1CCCN2	383355466	FMCLARBNLUXSRO-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
C[C@H](C[C@H]1CCCC[C@@H](O)C1)C1CCCCC1	384010333	OGYICNKFTPQHAY-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@H]1CCCC[C@@H](O)C1)C1CCCCC1	384010336	OGYICNKFTPQHAY-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CC[C@@H](C)C1CCCCC1)C(C)(C)C	384178195	YLWRSOKOTGRULU-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@H]1CCCC[C@@H]1C	384494720	AEOALBOLUDQBQZ-JLJPHGGASA-N	245.410	4.636	0	10	BJAE	
CC/C=C\CN[C@@H](C)c1ccc(CC(C)C)cc1	384958647	HBQDVXUIWLFDFI-XHPSBEMXSA-N	245.410	4.502	0	10	BJAE	
CCCC[C@@H](CC)CNCC1(CCC)CCC1	391959670	LFSNIKRFOMGBPH-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
Cc1ccc(NCCCCCC(C)C)cc1C	394763914	ORQSORKFQYNQJS-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CC(C)CCCCCC(=O)CC1CCCC1	394808847	IYEJERZSFZGESK-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCc1ccc2sc(C(F)F)cc2c1C	396218317	JDOACGCVVALAEZ-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1c(F)ccc2scc(C(F)(F)F)c12	396303840	UJDGVOXUKOEDEV-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@H](Nc1cccc(Cl)c1)[C@H]1CC1(C)C	397759760	DUBLPYKKMKMCHY-OLZOCXBDSA-N	237.774	4.577	0	10	BJAE	
CC[C@H](C(=O)C[C@H](C)C1CCC1)c1ccccc1	398736887	KVYSFZGHXYKFTP-BBRMVZONSA-N	244.378	4.576	0	10	BJAE	
CC(C)NC[C@@H]1CCCCC[C@H]1CC1=CCCC1	400663891	SYYGOXMYUHFNBM-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@](C)(CNCCC)c1ccccc1	405690736	MSVULQHIHRAFFY-KRWDZBQOSA-N	247.426	4.524	0	10	BJAE	
CCCC1(CNc2cccc(Cl)c2C)CC1	687545671	DDWJIXBDHPFPDC-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CN[C@H](CCCC1CCC1)C1CCC2(CC1)CC2	688421153	WSUDSDMWSRJURK-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(C(=O)CCC(C)(C)C)c1	688924020	BBHJJZKRHOAFHB-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
CCC(CC)Nc1cccc(C(F)(F)F)c1C	689653045	DXYWCDMXZDNICR-UHFFFAOYSA-N	245.288	4.614	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1CC2CCC1CC2	691647486	FYQOVENZCAFOQM-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CC1([C@H](N)C[C@H]2CC3CCC2CC3)CCCCC1	691776296	ZJHZWDLOMYBHPK-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCCC[C@@H]1CC1CC=CC1	692011130	QUKKMZLVIDODLV-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](NC1CCC2(CC1)CC2)c1ccsc1	695678874	IGPYCXLATHJZAY-CQSZACIVSA-N	249.423	4.512	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC2(CC2)C1	695716631	LWFLLQLLJBNREO-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC)CCCCC(C)(C)CC	696693082	UXRKILQSEGIWIQ-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H](C)[C@@H](C)CNCC(C)C	696805474	JMGDFCMKTUODLC-GJZGRUSLSA-N	241.463	4.721	0	10	BJAE	
CCC(C)(CC)[C@@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	701087732	AWCNHXUWGHZKSX-XJKCOSOUSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CCCC23CC3)cc1	706593036	AOSINKPSVXFCOG-BBRMVZONSA-N	243.394	4.945	0	10	BJAE	
CCC[C@@H](NCC[C@@H]1CC=CCC1)C1CCCC1	706755493	QAXIBIHLMBMECC-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@H](C)CC(C)(C)C	708246987	DGIZZCJKUDLFOP-HIFRSBDPSA-N	241.463	4.863	0	10	BJAE	
CCCc1cccc([C@@H](N)[C@H](C)CC(C)(C)C)c1	708258760	XSUCGCUPCZSCAU-CJNGLKHVSA-N	247.426	4.711	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)C23CCC(CC2)CC3)C1	710262498	JKBZNBLRDAHLHC-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@@H](CNC(C)C)CC(C)(C)C)c1	713140797	NRCHGRZGAKAGFV-MRXNPFEDSA-N	247.426	4.513	0	10	BJAE	
C=C/C=C/CC[C@H](N)C1CCC(CCCC)CC1	713759140	CFONYTZMFJKSFA-GAXIBNBKSA-N	249.442	4.833	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCCCCC1(C)C)C(C)(C)C	719283011	BPARFOMAPBTZIV-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CC[C@](N)(CCCC(C)C)CC1CCCCC1	720358466	MDNMQKSWPZXCKW-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](NCc1ccccc1CC)C(C)(C)C	1307776065	HEBRXIBDRRMALX-MRXNPFEDSA-N	247.426	4.553	0	10	BJAE	
CC(C)c1cccc(CSC2CCCC2)c1	1458790984	CZIBKIFCGVJBCP-UHFFFAOYSA-N	234.408	4.986	0	10	BJAE	
Cc1cnc2c(C)ccc(C(C)C)c2c1Cl	1900568499	JYZDAUMJEYZWAG-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC(CC)CC	1900697954	RYQTVSXGBCLQME-AWEZNQCLSA-N	226.404	4.988	0	10	BJAE	
CCC(CC)CC[C@@H](CC(CC)CC)NC	1900701053	KMLPDZGRHYDGBQ-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H](C)[C@@H](C)C(C)C	1901622853	CSHNLWLZKSGGBS-RYUDHWBXSA-N	239.790	4.741	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@@H](C)[C@@H](C)C(C)C	1901726163	CFTFFRUUMMAQDK-KKUMJFAQSA-N	227.436	4.568	0	10	BJAE	
CC(C)NC[C@@]1(C[C@H]2CCC[C@@H](C)C2)C=CCC1	1916338484	XIFVZSGPSXMZLM-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
C[C@](CN)(CCC1CCCC1)C1CCCCC1	1924098455	GKWUEPSGRFXOCJ-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC(C)Oc1ccc(C[C@@H]2C=CCCCC2)cc1	1925844370	UFNPDDRZUSCVGT-OAHLLOKOSA-N	244.378	4.763	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C[C@@H]1C=CCCCC1	1925887710	LUIUCYHQKHRLQO-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC(=C2CCC(C)(C)C[C@@H]2CN)CC[C@H]1C	1927148293	XKQXKFLATYOYKQ-VNHYZAJKSA-N	249.442	4.524	0	10	BJAE	
CCC[C@@H](C)NC1CCCCCCCCC1	1938722998	TXJHNMYVYWDPTB-CQSZACIVSA-N	225.420	4.658	0	10	BJAE	
CCc1cscc1[C@@H](N)CCC(C)(C)CC	1938804278	OZPBFAIZESZFLD-ZDUSSCGKSA-N	239.428	4.527	0	10	BJAE	
Cc1cc(Cl)cc(C[C@H]2C=CCCCC2)c1	1939711650	VFGMGVJNIYSLAZ-ZDUSSCGKSA-N	234.770	4.937	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CCC[C@H](C)CC1	1939904667	ZBCBIDWBKFQMEL-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC(C)NCCC(C)(C)CC1(C)CCCCC1	1940410202	QPXYKDFHWGRPHJ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@@](O)(CCC[C@H]2CC2(C)C)C1	1940872487	MTBUBWVZKZEPHH-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@H]1CCCNC1CCCCCCC1	1940882013	OMWRRQYLIZHWQJ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C(C)(C)C1CC1	1941139970	OCCAICLZNQLMQD-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)[C@@H](CC(C)C)C(C)C	1941243970	REDVGNLMOIFVQF-JYJNAYRXSA-N	242.447	4.738	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@@H](CC)C(C)C	1941267418	RNELIOCASJRNFI-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@H](C)CCC(C)C	1942659469	JSVYRDODPAHMDT-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C(C)(C)C2CCCC2)C1	1944635486	RKTJBACUWQQERO-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H]1CC(=O)C1CCC(C)(C)CC1	1944796635	GSBZAYCQGPXPAF-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC(C)(C)CC(C)C)C1	1946979835	RSJWQCXJCRDRME-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CC[C@H]2C3)c(Cl)c1	1947124141	QAAYKLWLRIFSKY-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](CC)C[C@H](C)CC	1947448450	HOXMIZSDSAIKSW-FPCVCCKLSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1c(C)coc1C	1947529892	RCPLKTDJILYLQA-KGLIPLIRSA-N	237.387	4.503	0	10	BJAE	
CC(C)=CCC[C@]1(N)CCCCC[C@@H]1C(C)C	1949018394	CLLPBDLCUFLUPP-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCCCCCC1(CO)CC(C)(C)C1	1950372968	RCQFDTWLSUYKPK-UHFFFAOYSA-N	240.431	4.782	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CC12CCCCC2	1950669889	XPIZOALZFVQXBE-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)N1CC(C)(C)c2ccccc21	1962913376	OBAGEDVBFPSMKJ-AWEZNQCLSA-N	245.410	4.609	0	10	BJAE	
CC(C)Sc1ccccc1NC1CCCCC1	1970341352	AXSGBLUUYFPAMX-UHFFFAOYSA-N	249.423	4.932	0	10	BJAE	
CCC1(CC)CC(NC[C@H]2CCCC3(CC3)C2)C1	1972182214	LAMVEMMQPODUGL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC(N)(CCC)[C@@H]1CCCC(C)(C)C1	1978344026	QKNIGDDNMMNCJO-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
c1ccn([C@@H]2CCCCC23CCCCC3)c1	1979315585	LRAXYZLLQHCMPJ-CQSZACIVSA-N	217.356	4.554	0	10	BJAE	
CCC[C@H](C)CCC(=O)c1cccc(Cl)c1	1980686082	ZHNFLZCRNASLML-NSHDSACASA-N	238.758	4.739	0	10	BJAE	
CC=CCCCc1cccc(C(F)(F)F)c1	1984610428	NWFBACBHAXSJNY-UHFFFAOYSA-N	228.257	4.604	0	10	BJAE	
CC=CCCCCc1c(C)cc(C)cc1C	1984610867	SGNPXNFTRQMYHE-UHFFFAOYSA-N	216.368	4.901	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC[C@@H](C)CC	1990765971	ZKNHYIRTLAFION-LSDHHAIUSA-N	227.436	4.571	0	10	BJAE	
CCCC[C@@](C)(N)C[C@H]1CCCC(C)(C)C1	1994028425	COYPNAVBSZMYDV-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CCC[C@@H](C)C(F)F)NCCC	1996095632	WHLBJDHYVVZHAE-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC[C@@](O)(CCC1CC1)C1CCC(C)(C)CC1	1996549974	XBNAZVHGEASBCU-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@@H]1CCC[C@@H](C)C1	1996595320	UYIPRNHKTAZJPZ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C2CCCCC2)CC1	1997107382	BKIPQZMHIHBIEL-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)CCC2(CCC2)C1	1998692587	DZZVZZIHYVDIHV-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@@H]1CCC=CCCC1	1999988961	VMIATCVQLGSOJC-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C[C@H]1CC12CCCC2	2001257445	WWAMLIVMEWMFGX-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1CCC([C@@](C)(N)CC(C)(C)C)CC1	2002926071	OFJAWANHZWMKLR-XUJLQICISA-N	239.447	4.602	0	10	BJAE	
CC(F)(F)CCCC(=O)[C@H]1CCCC(C)(C)C1	2002993017	HMNWSLSQQLUPOH-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC(=C[C@H]1CCCC(C)(C)C1)CNC(C)(C)C	2002993107	IHHNOSIHIJPSJJ-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)NCCCC(C)(C)C)C1	2003013057	FAQZKVCEOFQLRP-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CCCCCC[C@H]2O)C1	2003101445	WUQYAZUBRIDEDK-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCCCCC[C@@H]1O	2003111211	JUSNSBMHYPPRGX-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1CCC2(CC2)C1)C(C)(C)C	2003213424	FHQYUZAJZVCYOJ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@]12C=C[C@@H](CC1)C2	2003331725	XSFUFJOKNWGUPD-YCPHGPKFSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](C1CC=CC1)C(CC)(CC)CC	2005779195	YYLNFRCCIFXDCT-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1C[C@H](CCCC(C)(C)C)C[C@@H](NC)C1	2006630386	WJJIEILEHDYROO-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)[C@H](NC2CCCCCCC2)CCC1	2006928169	IUTGQIGHKDJMRA-MRXNPFEDSA-N	235.415	4.578	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC2CC(CC)C2)C1	2007769368	NWJMUZCXOWVIMO-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC[C@@H](C)CC[C@H]1NC	2009421962	YOYIOCQPWDVURB-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCc1ccc(C(F)(F)F)cc1F	2009587663	GKPWMNVGWXKEBS-NSCUHMNNSA-N	246.247	4.743	0	10	BJAE	
C/C=C/CCC[C@]1(CNC)CCCCC1(C)C	2009629958	VOSHLPYPDWFLMX-SQRWCISFSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CCC)CC1=CC[C@H](CC)CC1	2010770349	XXOXJPFDOVXJKW-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCc1ccc(N[C@@H](CC)CCC(C)C)cc1	2013264586	OAVAUZVAVQXCSC-HNNXBMFYSA-N	233.399	4.876	0	10	BJAE	
CC[C@](CNC(C)C)(C[C@H](C)C(C)C)C(C)C	2015400712	QSZUZXQUZJKIIV-JKSUJKDBSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)CC1(CC)CCC1	2015599305	JXGDAZWZEWWMDQ-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C1(C(C)(C)C)CCC1	2017133628	VCSJQGGRTZPOTG-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(C[C@]2(O)CC[C@H](C)C2)CC1	2017648548	NUYNPEWIFBYYNH-LBDPXKHJSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@](N)(CC)C1=CC[C@@H](CC)CC1	2018139898	XDWMVSOXLURSHV-ZBFHGGJFSA-N	237.431	4.811	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1C[C@@H]1C1CCCCC1	2022348749	JHNGZNZSAFZKFN-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H]1C[C@H]1CCC	2022389843	CPJUBVGREANZAL-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC(F)=C2CCC2)CC1	2023187512	SIXGDFLOWPZBIH-GFCCVEGCSA-N	238.346	4.570	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC[C@@H](C(C)C)C1	2025635850	XTTPEWNTLIYDMK-PMPSAXMXSA-N	239.447	4.760	0	10	BJAE	
Cc1c(F)cccc1C(=O)CCC[C@@H]1CC1(C)C	2027854821	ITWXQZZBUONLDA-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@](C)(F)c2ccc(N)cc2)C1	2027935078	FEPCXZFXQBSTTH-DVOMOZLQSA-N	249.373	4.670	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1cccc(CC(C)C)c1	2028264043	NWHKNDWTABXPQA-SJORKVTESA-N	247.426	4.567	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2028982777	ZXKGLGPADJIYGW-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1C[C@@H]2CC[C@@H]2C1	2034581903	VCTMKTSBHXKGLT-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)C1CCCCCC1	2035595576	YHIKFHKEIUPUIC-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1CCC(CN)(C[C@@H]2C=CCC2)CC1	2035597282	BSSSSNKXNAPWHX-HPUBIQBYSA-N	249.442	4.524	0	10	BJAE	
CCC[C@@](N)(C1=CCCCCCC1)C1CCCC1	2037074320	KNAGIBYBZDJNGR-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCCC1([C@@H](N)c2cccc(C(C)C)c2)CCC1	2037142388	KYZCYDVQXLFWFW-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)CCC3(CCCCC3)C2)C1	2037587300	BCBGWINNCQCWFM-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@](N)([C@H]2CCC3(CCCC3)C2)CC1	2037591129	ZRXDFSSBXVXEEE-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)CC1CC2(CCC2)C1	2037983234	WDKJKLPLQGBMOG-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@H]1CCC[C@H](C)C1)C2	2038935050	XMWSASAKLQLMPL-YTVKCJQUSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C=C(CNC(C)C)C(C)C	2039434161	HNWBKNWMPOUVEV-NVXWUHKLSA-N	249.442	4.559	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1cccc(F)c1C	2039446186	DPPWDLIIKRRYSO-OCCSQVGLSA-N	247.357	4.538	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1C)C1(CC)CCC1	2039718963	BKBQZDQNEFMIST-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
C[C@H](NCC1CCCCCC1)C1CC2(CCC2)C1	2043554737	VUNHGFPIVBKISZ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CCC=CCCC1	2045304853	JQAYXTIWXUJVPB-PMPSAXMXSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CCC=CCCC1)C1CC1	2045325826	IQMCWVRILGHSQG-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](N2CCC3(CCCCC3)C2)C1	2045517339	RQXORPDIUCDHBE-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCN(C[C@H]1CCC=CCCC1)c1ccccc1	2046559652	HSGRBHCPXYULPT-INIZCTEOSA-N	243.394	4.649	0	10	BJAE	
CCCC1CC(C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048472147	WHYUYSCNCASXKY-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@@H]2CCCC3(CC3)C2)C1	2049539779	JADJMYGNDGVMMB-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@@H]2CC23CCCCC3)CC1	2049636205	HCNQNYKYIFZJKF-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
O=C1CCCCCC[C@H]1[C@H]1CCC2(CCCC2)C1	2049707883	LOCRUAIJXQEONH-GJZGRUSLSA-N	248.410	4.886	0	10	BJAE	
Cc1cccc([C@@H](O)CCCC2=CCCCC2)c1	2050439931	DKOZWCXLVGIBGF-KRWDZBQOSA-N	244.378	4.699	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](N)c1ccccc1C	2050459823	AVOYMBLCMQOQPZ-DOTOQJQBSA-N	247.426	4.991	0	10	BJAE	
CCCN(C[C@H]1CCC=CCCC1)C1CCCC1	2050741800	WANNDFXSAPIAAG-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC1(C)CCC[C@@H](C2(CN)CCC3(CC3)CC2)C1	2056521726	BZJWMBDKPGCBEG-CQSZACIVSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc([C@H](O)C2(C)CCC(C)CC2)cc1C	2056559232	QLFAKZCQKMXAPQ-PDOTXMHQSA-N	246.394	4.553	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CC2CC(C3CCC3)C2)C1	2056670108	SYXROAYBMBHBKV-UPNFEZNFSA-N	248.410	4.598	0	10	BJAE	
CC=C(C)[C@@H](NCC)c1ccccc1CC(C)C	2056773706	FTDXXBNKGCNWJI-QGZVFWFLSA-N	245.410	4.502	0	10	BJAE	
CCC1(C)CC(NCC2(C3CCCCC3)CC2)C1	2058835774	UNJGYGNVWMHTQY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H]1NCC[C@]12CCCCC21CCCC1	2059472253	HTDKYIZVFFUEHQ-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CSc1cc(Cl)c(C(F)F)cc1Cl	2060066545	VLIJXSINDNPJEX-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
CCC1CCC(C(=O)CC[C@@]23CCC[C@@H]2C3)CC1	2061604742	BHUDSAIGBAQXAJ-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
C[C@@]1(C(=O)CC2CC(=C3CCC3)C2)C=CCCC1	2061702176	PZTMXGRIQCTKOB-QGZVFWFLSA-N	244.378	4.583	0	10	BJAE	
CCC1([C@@H](N)C2CC3(C2)CC(C)(C)C3)CCCC1	2063793613	SYTQFERBXJKYRT-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCC12CCC(CC1)CC2	2065259689	UZDFZOAEBSTWJT-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2c(ccn2CC23CCC(CC2)C3)c1	2065276668	GPHKGWHMQWZETI-UHFFFAOYSA-N	239.362	4.530	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC1C[C@H]2CC[C@@H]2C1	2068704554	RARAVRHXIDFMNV-FPCVCCKLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(=O)CC2(C(C)C)CCC2)c(C)c1	2071915141	KRPHOUYRDSVUHF-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCC1CCC(CC2(N)CC(C3CCC3)C2)CC1	2072803328	HEHXRHZJDJCYIF-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C[C@@H]2CCC[C@H]3C[C@H]23)CC1	2072871174	LSROMUVOFCWPRY-WNZSCWOMSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CCC3(CCCCC3)C2)C1	2074892668	OTZFRTLHKXFLSP-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CC[C@]2(CCN2CCC2=CCCCC2)CC1	2075149254	WSGOYBWRCMYCHU-WOVMCDHWSA-N	247.426	4.532	0	10	BJAE	
C[C@H]1CCNCCC1=C1CCC(C(C)(C)C)CC1	2076321279	DPFKZLAJXVEQOC-CFMCSPIPSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CC1CCC=CCC1)[C@H]1C[C@@H]1CC	2079219207	BEKUXBKFYNXNST-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(N)(C[C@@H]2C[C@@H]2C2CCCCCC2)C1	2079669821	JDMHDLMNIHYZHJ-CBUUIXETSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C1C[C@@H](C)C[C@H](C)C1	2080221641	UBNZPNWDJZALJC-GRDNDAEWSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)[C@H](C)CCC(C)C)c1	2082941901	LDLQCGNGOPYXRV-DYVFJYSZSA-N	248.410	4.718	0	10	BJAE	
CCC1(CC)CCC2(CC1)C[C@@H]2CNC1CCC1	2083191130	MRKPSYFHFBGMAI-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
COc1cc(C)cc2c(C3CCCCC3)coc12	2086717570	AAGALATVMCGOKK-UHFFFAOYSA-N	244.334	4.798	0	10	BJAE	
CCCC[C@@H](C)NCCCCCCC1CC1	2210526569	GLFJPXUSWMURFV-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
Cc1csc([C@@H](O)CCCC(C)(C)C)c1C	2210578251	WYSLTZCHHXNTCJ-LBPRGKRZSA-N	240.412	4.615	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CCCCCCC1CC1	2213572963	BXPOKJRWQANMEC-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCC(C)(C)[C@H](O)CCCCCCC1CC1	2213576094	MFSVOJUCSUYJKJ-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)[C@H](C)C(C)C	2213578020	HXDRCIMVGUBRGH-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CCCCCCC1CC1	2213579190	QWTFYPFCEWUZIC-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CN(CCCCCCC1CC1)CCC(C)(C)C	2213581191	TZXULHWEAGSIPQ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
C(CCCN1C[C@H]2CCCCC[C@@H]21)CCC1CC1	2218733959	ZICBFJRANASWLS-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
N[C@H](CC[C@H]1CCCC2(CC2)C1)C1CCCCC1	2220297945	BLEYJRMJRLMBJK-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](N)C1CC2(CCCCC2)C1	2220880256	RIVKXNJWTIGUFI-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@@H](O)CCC1(C)CC(C)(C)C1	2221021843	ATTJEVNJKOZGCJ-HNNXBMFYSA-N	246.394	4.635	0	10	BJAE	
CC1=CC[C@@H](Nc2ccc3ccccc3c2)CC1	2221655098	RKPRLEDMPBKGPM-MRXNPFEDSA-N	237.346	4.751	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CCC2(CC2)NC1	2223131481	ZAGSZUIUJWBBAT-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](C)CC1(CNC2CCC2)CCC=CCC1	2223544371	CEXBGHVWNGZHRB-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)C(=O)CCCC[C@H]1CCC[C@H](C)C1	2242769146	CBNMZIMAKPSCNU-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2CCC2(C)C)C1	2246660810	TXZMLHNXWJADSH-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC[C@@H]1CCCC12CC2)NC	2247619427	NSGZOUFZGYODFI-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCc1cc(Cl)ccc1-c1cc(O)ccc1C	2248355804	DUUKORHEJZEDMM-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
CN[C@H](c1cc(C)c2sccc2c1)C(C)(C)C	2248564397	LJAANRPHFLZWJI-CQSZACIVSA-N	247.407	4.516	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CCCCC[C@H]1C[C@H]1C	2248844155	WGUHCXYORONIRD-FXUDXRNXSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cc(C)c(C)c(C)c2)C1	2249491447	RFUNTEWYUBFILJ-GJZGRUSLSA-N	231.383	4.602	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CCCCCCC1CC1	2250352909	PSIWMPWCXVMZTO-CVEARBPZSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cc2ccccc2s1	2250358979	BREXMZOVSLGRRW-IAQYHMDHSA-N	247.407	4.727	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN[C@H](C)CC1CC1	2250489163	VZFUDUADASNOEY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](N)[C@H]1CC1(C)C	2250517958	GKZZIUZYBBUTMJ-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)NC[C@@]12CCCC[C@@H]1CC2	2251199944	COLUNHOADKCUGF-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@@H]1[C@H](O)C(C)(C)CCC1(C)C	2251720524	QJHSCETXZPYCPU-KGLIPLIRSA-N	238.415	4.556	0	10	BJAE	
C[C@@H]1CCN(CC2=CCCCC2)c2ccccc21	2255059853	VFPYOJXNHBQEOY-CQSZACIVSA-N	241.378	4.501	0	10	BJAE	
C[C@@H]([C@@H]1CCC[C@@H](C)C1)N(C)CC1=CCCCC1	2255060189	YBEYKKMFSOLZDS-HLLBOEOZSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CC(C)([C@H](N)CC[C@@H]2CCCC23CC3)C1	2255274403	XRTJQHRPQZPYJZ-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](C)CC1CCCC1	2256142526	SRPYPHQUIRIJTD-LBPRGKRZSA-N	249.373	4.769	0	10	BJAE	
CC1(CC2[C@H]3CCC[C@H]2CC(N)C3)CCCCC1	2257987794	HHTXZSRQKPKZHY-FXQLRMTLSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(C[C@@](C)(N)C1CCCCC1)C2	2259566727	QMUQEUVRWGVMFU-DZTUWMGKSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1CCCCC1)C[C@]12CCC[C@H]1CC2	2260615490	ZDJFIFZOJYIJKL-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCCCC(=O)c1ccc2c(c1)CC(C)(C)C2	2261333925	CWGWRCGEDXSGDE-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1CC(C)(C)CCC1(C)C	2261396080	UXTLEJWUIWICPB-LSDHHAIUSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@@H](CCC1CC(C)C1)CC1=CCCC1	2261501294	IWLVTLPQYNHKPN-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC[C@@H]1C[C@@H]1CC)NC	2298127094	OVHNMPFHSISWCS-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H]([C@@H](C)CC2CCC2)C1	2298931818	CVRUXAQKAHUHEB-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@H](N)C[C@@H](CC)C(C)(C)C	2300675864	IYNZZAMPWGQQTJ-CABCVRRESA-N	241.463	4.993	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCC[C@H](C)CC1	2300684855	YQFBEFJLVRHOEW-ZFWWWQNUSA-N	238.415	4.988	0	10	BJAE	
CC(=CCCC[C@@H](N)C1CC1)CCCC(C)C	2300888806	QQUSZTVIFNXSHW-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1CCCCCC1)NC	2301236288	LJJOATHVMNLNGS-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)[C@@H](C)C(C)C)CC1	2301684796	GXJBWIDRYQAOCP-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](C)[C@H](C)C(C)C	2301713168	FEKQJIVUSQCISM-FPCVCCKLSA-N	239.447	4.616	0	10	BJAE	
CC(F)(F)CCC(=O)CCCC1=CCCCC1	2302346610	ISVZNAQJHHTQFY-UHFFFAOYSA-N	244.325	4.662	0	10	BJAE	
CCC(C)(C)CC(=O)CC[C@H]1CC[C@@H]1C1CC1	2303123832	KNYSGWGVBGWLFN-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CC(C)(C)CNC(C)C)CC1	2303517474	XBIPWXRTRSNKPU-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCNC[C@](C)(C[C@H](CC)CCC)C1CC1	2307832293	RRFXHUOGLOPBOO-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CO)CCCCC1(C)C	2307870803	ANMJCTKPEPYSRD-GDBMZVCRSA-N	240.431	4.782	0	10	BJAE	
CCC[C@H](CC)CN(C)C[C@H]1CCC[C@@H](C)C1	2307903422	OMYOCPMMQARCDX-PMPSAXMXSA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309184966	OXHIJYWSOCLHJH-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CC1	2310924328	COUWTTPSKXFBAG-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CCC1	2312906444	YNQASAPKIVFZCI-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@H](N)C[C@@]23CCCC[C@@H]2CC3)CCCC1	2313324528	WHMHCQVMIPFWKB-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@]23CCC[C@@H]2CC3)CC1	2313349366	WODBMYBSYLXVCB-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CCc1ccncc1CC=C(C)CCCC(C)C	2316493261	XJKBTGKJCFNDQJ-UHFFFAOYSA-N	245.410	4.959	0	10	BJAE	
CCC(C)=CC[C@@](O)(CC)c1ccc(CC)cc1	2316542173	NGFRKUVITCXNCD-KRWDZBQOSA-N	246.394	4.593	0	10	BJAE	
O=C1CCCCC[C@H]1C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316883717	IZCXUEILIUCZHQ-VGWMRTNUSA-N	248.410	4.742	0	10	BJAE	
C1CCCC(C[C@@H]2CCN[C@@H]3CCCC[C@@H]23)CC1	2316941211	YKDGEVHCLSXYNO-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCCCCCc1c2c(cc3c1CCC3)CCC2	2318397170	YDEADJKTJWMXAW-UHFFFAOYSA-N	242.406	4.787	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@@H]1[C@@H](C)[C@H]1C	2318587576	URAXSUYQNQAMDX-WTTBNOFXSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1CCCC12CC2	2318589596	SDHGNXGLJQOHSO-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCCC[C@@H]3C[C@@H]32)CC1	2319454195	OPDGAPPJXDTUSA-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1	2320395135	UTMAKRGPTCGCDQ-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)C1CCC1	2320415035	WSJOBRAMZKCCQJ-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)C[C@H](C)C2CC2)c1	2327673432	OZHIUIYEAMVICV-SUMWQHHRSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2C[C@@H]3CCC[C@H]32)c1F	2327808549	XUIKYVROWLQQOH-NJZAAPMLSA-N	247.357	4.550	0	10	BJAE	
CCCC(CCC)Nc1cccc(SC)c1	19991012	HWXPBJNIPUTYDV-UHFFFAOYSA-N	237.412	4.789	0	10	BJAE	
CCCCCN[C@@H](C)c1ccc(C(C)C)cc1	21817311	AMYZLSDWRAZHEB-AWEZNQCLSA-N	233.399	4.651	0	10	BJAE	
Cc1cccc([C@H](C)Nc2ccccc2Cl)c1	37210809	CYEFXUYEUGMYSK-LBPRGKRZSA-N	245.753	4.822	0	10	BJAE	
CCCCC[C@@H](O)C[C@@H](CC)CCCC	78138311	YOIYKKLGDLFRMF-UONOGXRCSA-N	214.393	4.534	0	10	BJAE	
CC(C)c1cccc(NC/C(Cl)=C/Cl)c1	85977452	HFMYAHZPVXHUDX-XFFZJAGNSA-N	244.165	4.541	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(c2ccc(C)cc2)CC1	86939961	AOYQTIZZLBXYGX-WBVHZDCISA-N	245.410	4.529	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C1CCCCCCC1	87690336	ZUUSEWMPHSNCTB-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)c2ccc(C)cc2C)C1	87988324	ODDHXPLOIKFULP-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H](N[C@H](C)C(CC)CC)c1ccccc1	104444457	VPZHLSNHEIPYST-PBHICJAKSA-N	247.426	4.942	0	10	BJAE	
Cc1cc(N[C@H]2C[C@H](C)CC(C)(C)C2)ccc1F	109957575	INHWZHQUWFPBGL-FZMZJTMJSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@H](NC[C@@H](C)C1CC1)c1ccccc1	124954604	UCVNMCJMRVADOP-PBHICJAKSA-N	245.410	4.554	0	10	BJAE	
Cc1cccc2c3c([nH]c12)CCC1(CCCC1)C3	130410554	BYCVGRFHKSKMLQ-UHFFFAOYSA-N	239.362	4.525	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CC[C@@H]1CNCCC	133519082	QBKCVRZTNUKRGK-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc([C@@H](C)Nc2cscc2C)c1	134326536	XZHLFDMCCWPBRX-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
C[C@H]1CC[C@@H](O)c2cc(C3CCCCC3)ccc21	136938015	NWEJNSQGHFVSSS-YVEFUNNKSA-N	244.378	4.665	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)C1CCCCCC1	157257337	HVPZSZNVRKHILD-SJORKVTESA-N	246.394	4.512	0	10	BJAE	
CCC[C@H](C)[C@H](N)c1c(C)ccc2ccccc12	160835565	ZUWPYMCVZZHEQL-GUYCJALGSA-N	241.378	4.584	0	10	BJAE	
CC[C@H]1CCC[C@](O)(C2CCCCCC2)CC1	167643509	NRYNNMKGCFMXOL-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CC[C@H](C)[C@H](C)C1	168194179	KNHJGSFDJXPBCR-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CCC[C@@H](CC)C1	227178444	JABDUTSNWJPPKG-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCCOC(=O)Nc1ccccc1[C@@H](C)CC	242807351	FHKQZKFJQFRHFN-LBPRGKRZSA-N	249.354	4.549	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@H](C)CC(C)C	301010061	YPRYRFAKGAFFQE-HIFRSBDPSA-N	228.420	4.636	0	10	BJAE	
CCc1ccc([C@@](C)(N)CCCC(C)(C)C)cc1	302245553	AJKDCPIPBCKDCG-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CCCC(C)(C)CC1	305972455	QAAIDAWDKNHNIE-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H]1CCCC[C@@H](CCC2CCCC2)C1	306016539	XQSFLXFLYRBCSA-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
Clc1cc2cc(Cl)c(Cl)cc2s1	307452004	UBWFNDPJYRXJQQ-UHFFFAOYSA-N	237.538	4.862	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@@H]1CCC[C@H](C)C1	308048773	JMFKWVHCULSAEZ-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CC(C)/C(=C/[C@H](C)C(C)(C)C)CNC(C)(C)C	310173227	QIBASAVQAHZFMN-LFGHMXSPSA-N	239.447	4.639	0	10	BJAE	
CCCC1([C@H](N)c2ccc(C3CCC3)cc2)CC1	310908771	GQHWYIXZYBOFDQ-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCCC1(N[C@H]2CCC[C@H](CC)C2)CCCC1	382300851	PLNRTWKMUFTLJB-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)c1cccs1	383140174	MGQDSMSRRGETDZ-AWEZNQCLSA-N	240.412	4.562	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCC[C@@H](N)C1	383275034	ZQLWTGLMYQQFOO-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](C[C@@H](C)c1ccccc1)C(C)(C)CC	385082715	FKGYHOPHRPCBKP-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
Cc1ccc(NCCCCCC(C)C)cc1	394875000	WDODELJCWSVCPL-UHFFFAOYSA-N	219.372	4.623	0	10	BJAE	
CSc1csc2c(C(F)F)cc(F)cc12	396235506	HQPWIGCKYSYZIK-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1c(C)cc(C(F)(F)F)c2sccc12	396297946	FZJCXFVLXGUZPM-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
O=C(CCC1CCC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	398797273	UYLMBADEPLPBFD-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@H]1CCC[C@@H](C)C1	400880219	WOAMFOXFIFETCF-MFKMUULPSA-N	238.758	4.606	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@H]1CC=CCC1	402262515	GVRZVHDYYDOXOB-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
CC1(C)CCC([C@H](O)CCCC2CCC2)CC1	688354296	UUOKXARYLUSXEZ-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc([C@@H](N)CC2=CCCCC2)c1	688935354	IDUZRAGXJOOURH-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](Nc2cccc(C3CC3)c2)C1	690070349	DLJACVQOVCXBGV-LAQFHYBYSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC(C)(C)C(F)(F)CC	691004536	YPJZDKPQANNJMY-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
CCC(C)(C)CC(=O)c1cc2cccc(F)c2o1	697196902	IHKINIONRRKEAP-UHFFFAOYSA-N	248.297	4.581	0	10	BJAE	
CCC(C)(CC)[C@@H](CC1CCCCCC1)NC	701259814	BAQKPFWEAINVMU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC1(C)[C@H]2CC[C@](C)(C2)[C@]1(N)CC1CCCCC1	704466061	PJFPLFNVXUIXQI-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC(C)(C)C[C@H]1C	704941438	ZUDCYIMWERUIOW-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
Cc1csc(C(=O)C[C@@H](C)CC(C)(C)C)c1	709132851	SAGHRMRXXDAILZ-SNVBAGLBSA-N	238.396	4.702	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@H](C)CC(C)(C)C)CC1	709142047	IYQVOKMWGRPSNR-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](NCC)c1cscc1Cl	710472432	GWEOIQRHMCABJZ-LBPRGKRZSA-N	245.819	4.632	0	10	BJAE	
C[C@H](C[C@]1(N)CCCC12CCCC2)C(C)(C)C	710721928	AYUOQWQTXKMKLE-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCc1cccc([C@H](O)C[C@@H](CC)C(C)(C)C)c1	711087649	OQYQPKSBIYMZFP-HZPDHXFCSA-N	248.410	4.745	0	10	BJAE	
CC[C@H](C[C@@H](N)CCC1CCCC1)C(C)(C)C	711111144	IWNHCRUKUWOQCN-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H]1CC[C@@H](CC)C1	713175547	RHIXQQDUAAALSD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)CC(C)(C)C(C)C	713210484	FBAJRKSWRFGANL-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@](N)(CC(C)(C)CC)C1CCCC1	713246201	DUPVABUJNMTTKH-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
c1ccc(NC[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1	714421782	BUBTUIRIYVSJSX-HLLBOEOZSA-N	243.394	4.705	0	10	BJAE	
C/C=C/C[C@@H](C)c1c(C)cc(C)cc1C	714540411	NHYWLKPDPXEXPK-NNNHXZLVSA-N	202.341	4.682	0	10	BJAE	
N[C@H](CC[C@H]1C[C@@H]1C1CC1)C1CCCCCCC1	714898246	CPKXGDYDODCXCD-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)CCC=CCCC1	719019297	LESNTESVIWMZSG-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
Cc1ccc2ccccc2c1C(=O)C1(C)CCC1	720691497	LTCKJMRLHKCFHB-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
Oc1cccc(-c2ccccc2C2CC2)c1Cl	1242801978	KLYGSOQZLMPEEZ-UHFFFAOYSA-N	244.721	4.590	0	10	BJAE	
CN(CC1CC2(CCC2)C1)C1CCCCCCC1	1652431682	DGGMHESXZGNCRQ-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCc1ccccc1CCSC1CCCCC1	1656086126	GVVKYSDWVQPPBY-UHFFFAOYSA-N	248.435	4.857	0	10	BJAE	
CCC[C@@H](NC[C@@H]1CCC=CCCC1)C1CCC1	1665881241	SSFKMVHFYZOIOI-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCNc1cc(C2CC2)ccc1Cl	1900692067	ZPUSMDWOUPBBMP-UHFFFAOYSA-N	237.774	4.675	0	10	BJAE	
CCCCC[C@@H](N)CCCC1=CCCCC1	1901969541	AESHFOCTPIAGKU-OAHLLOKOSA-N	223.404	4.565	0	10	BJAE	
CC(C)CCCCCC[C@]1(C)CCCCN1	1902129566	VYCBWEJCFBMGGT-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCc1coc2c(Cl)c(Cl)ccc12	1907221149	PLFCDFRFKCLAHN-UHFFFAOYSA-N	229.106	4.692	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@H]1C1CCCC1	1910687524	NFASSNAGUYIAGD-HRCADAONSA-N	237.431	4.514	0	10	BJAE	
CC(=C[C@H](C)CC(C)(C)C)C[C@@H]1CCCCN1	1911978090	XZAMQQFHORKKGI-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	1912113284	CZAVKNBFLXMWSW-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)N[C@@H]1CCC2(CCCCC2)C1	1915855980	VTFHLQZQGIXITO-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@H]1[C@@H](NCCC)C[C@H](C)C[C@H]1C	1916066307	UNVUZFBPBLPDPT-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@H](C)C2CCCC2)c1	1924077609	GCSGMTIRQHNBSC-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)CCCC(C)(C)C	1924129306	DHNVAZIPEQKJBC-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CC1(C[C@H]2[C@H](CN)CCC23CCC3)CCCCC1	1924813057	JYBBPJXXSKVXHP-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
CCc1ccsc1C(=O)C[C@H]1C=CCCCC1	1925765991	ZVKXHBDFROMNPA-LBPRGKRZSA-N	248.391	4.630	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)c1ccccc1Cl	1925767915	DRDGTDVODWMWND-LBPRGKRZSA-N	248.753	4.659	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C[C@@H]1C[C@H]2CC[C@H]1C2	1925806339	DXWPAGMDAJUJQI-VGWMRTNUSA-N	246.394	4.518	0	10	BJAE	
CCC(C)(CC)[C@H](C[C@H]1C=CCCCC1)NC	1925898990	SRGSHLAEAHUQQN-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](NC[C@H]1C=CCCCC1)c1cccs1	1925917559	MYZZXBYLIGJPKH-KBPBESRZSA-N	249.423	4.535	0	10	BJAE	
CCN[C@H](CCC[C@H]1C=CCCCC1)C(C)C	1925944392	DKVQSNDMVZRIJK-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](O)c1cccc(C(C)C)c1	1926357739	YJALRIUQIFLPJV-INIZCTEOSA-N	234.383	4.670	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cc(Cl)sc1C	1933556156	FMTGNYUCXIXBSB-QMMMGPOBSA-N	244.787	4.719	0	10	BJAE	
CCCCCC[C@H](CCC1(C)CC1)NCC	1935876568	NAJNGVVZEFDLLO-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)CC1(C)CCCCC1	1940414198	IEBYFPYUCOTRIX-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H](C)[C@H](C)CC	1940935101	JLTJPELTNBLSMD-OLZOCXBDSA-N	232.367	4.504	0	10	BJAE	
CCC(C)(CC)CNC[C@H](C)C1CCCCC1	1941357647	OFLXTXCASZIXFD-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)C(C(C)C)C(C)C	1942802879	HNNYWVBQJYPYPG-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943038675	CDDJXRHZIAZKHO-BARDWOONSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@H]1CC1(C)C	1944748349	ZEFYRJWPCLKXBA-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC(C)(C)CC(C)C	1947459722	JBDYBSABUZUZIL-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H](CC)C1	1947465739	IPDSYRIMTYFFCV-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)[C@@H](C)CCC	1947589495	SILRPLMCSUCHTA-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@H](C)NC1CCCCCCCCC1	1947864382	OFJJESHCILVNCW-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1[C@@H](NC2CCCCCCCCC2)C[C@H]1C	1947866921	POYKLMVBECEQQC-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CC1(CN)CC(C)(CC)C1	1948404831	DVRLWNXWJXHXFD-FHERZECASA-N	239.447	4.748	0	10	BJAE	
CCC1(C[C@](N)(CCC(C)C)C2CC2)CCC1	1948981572	VNQRNRLZYZWDMV-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@@H](N)C[C@H](C)CC(C)(C)C)CCC1	1949017355	BIRWPIFWMCVVEG-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)[C@@H]1CCC(C)(C)C1	1949432145	ILCDMQFNJXWUHJ-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
NCC[C@@H]1CCC[C@@H](CCC2CCCCC2)C1	1950493123	FGLHALPFPGXLGB-HOTGVXAUSA-N	237.431	4.502	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(N)CC12CCCCC2	1950602861	VTCMUTQDNKLKNW-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)NCc1cccc(C2CC2)c1	1964604378	GFLXTLFCYWNNIC-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
C[C@H]1CC[C@H](NC2C[C@H]3CCCCC[C@@H]3C2)CC1	1965896522	PXHHMAVENPZFCZ-KLHDSHLOSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@H](NC2CCC3(CCC3)CC2)C1	1967790858	KKULPKPJCBQKRM-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCc2cc(C)ccc21	1968994007	HJIDGVSWMMBCMD-NVXWUHKLSA-N	245.410	4.541	0	10	BJAE	
CCCC1CCN([C@H]2CCC3(CCCC3)C2)CC1	1970558746	BDIQRBVHCWJBPV-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCCC2(CCC2)C1	1973164778	XMNDFUDMZUXOCF-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(N)C1(C)CCCCC1	1975575191	SIHOWTJBOAXHMK-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)CCC1CC1	1975837972	BCNRWKDYSJYNSK-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)NC1CCC(C)(CC)CC1	1981063378	OMIQAVWXTWDLBE-NFOMZHRRSA-N	225.420	4.514	0	10	BJAE	
CCC1CCC(CC(=O)C[C@H](C)CC)CC1	1989836523	GWRWYYBXHVIFLU-IYXRBSQSSA-N	224.388	4.598	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2CC[C@H](C)C2)CC1	1996229102	DOUIXYFVMARRDX-LQULJDIASA-N	236.399	4.598	0	10	BJAE	
c1ccc(SC2CC2)c(NC2CCCCC2)c1	1996548532	KVXYGHSSLSMHRX-UHFFFAOYSA-N	247.407	4.686	0	10	BJAE	
CC[C@@](N)(CC[C@@H]1CC1(C)C)C1CCCCC1	1996592931	DUAHFPFKJLETOB-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC[C@H]1CCC=CCCC1	1999995604	GZZRKYWNOWLKKV-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
Oc1cccc(SC[C@H]2CCC=CCCC2)c1	1999999131	PEGBPQFAQDJROR-ZDUSSCGKSA-N	248.391	4.621	0	10	BJAE	
CCC[C@@H](C(=O)[C@@H]1CCCC(C)(C)C1)C(C)C	2000107510	UILDGCVDSMAIIC-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@@H]1CCC1(C)C	2000524481	YXXCBLXLMVAENW-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](O)CC[C@]1(C)CCCCC1(F)F	2002575079	ALJIHWPIHCBGMS-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCC(CC)[C@](C)(O)C1CCC(C(C)C)CC1	2002923054	CGQIABIJSZUABK-BCLQGDPASA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)[C@H]2CCCC(C)(C)C2)C1	2002993750	NJHBDUOWUBEZKG-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@@]1(C)C=CCCC1	2003320812	KDEXNENZKFTPKM-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CN[C@H]([C@@H](C)C(C)C)C1(C)CCCCCCC1	2004922170	FCDZNXWRCPBRQH-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CCC[C@H]2C)CC1	2006717184	HTNXGJDGPTZZKP-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)[C@H](O)[C@@H](C[C@@H](C)CC(C)(C)C)CC1	2006903079	XHXYBVOZTIAEEU-DFBGVHRSSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](NCCC)C(F)F	2008313373	FSJUDFAWXXKLPZ-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CCC2(C)CC2)CC1	2009548885	ROBBKNFLRQSTAE-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@@](C)(O)[C@@H]1CCCC(C)(C)C1	2009591156	UYSUDWYSFUNNDE-QNQFUXMYSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@@H]1CCC[C@H](C)CC1	2009628118	LZNKWCDVQXLGAK-BECQNTKZSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCC[C@@H]2CC)C1	2009715191	ZMASTWKBIWMHNB-BHDPWAOGSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CC(=O)CC2(CCC2)C1	2012083367	HBHGHDZCHICWPO-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CCCC(=O)C(F)(F)C1CCCCC1	2012958731	UEZGXJGAIYXTAL-UHFFFAOYSA-N	244.325	4.518	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1CCC[C@@H](CC)C1	2013532569	HCYMINJWSGMCEA-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@@](C)(N)C2(C)CCCC2)CCCCC1	2014337568	DMRHNKVKCRCDKG-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)C(CC[C@@](C)(N)CC(C)(C)C)C(C)C	2015360659	KKWTYAXQWWXJRF-MRXNPFEDSA-N	241.463	4.848	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCCC[C@H]2C)CCC1	2015585038	WRMZMZUNTZTALD-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C[C@@H](N)C1(C)CCCCCCC1	2016459546	FKRUHMGYBOEMLB-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)C1(C[C@H]2CCCCCC[C@H]2O)CCC1	2017117289	UCNQGDVWGOKBPR-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@]1(CC(C)=C(C)C)CC[C@H](C)C1	2017467394	WKPOHMQYTVQYQE-GOEBONIOSA-N	237.431	4.539	0	10	BJAE	
CN[C@H](C(C)=C(C)C)C(C)(C)C1CCCCC1	2017485105	CIRRWOHRUNLZTF-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@@H](O)C(C)C)CC1	2017727333	YSDYQLNGPBZHEM-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](COc2ccccc2)CC1	2017777936	SEIADGBRLUWCDE-SHTZXODSSA-N	232.367	4.672	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCC[C@H]1CC	2018138767	KGVPWHPLNZMUQT-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@H](CC)NCCCC1CCCC1	2018138991	NEEZJXWUNXLQID-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCC1(C[C@]2(O)CCCC[C@@H]2C(C)C)CC1	2018980022	LXUCBLNCZSGATQ-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H]1CCCCC1(C)C	2019414595	UVTXSSRMZAPLGV-GJZGRUSLSA-N	239.447	4.712	0	10	BJAE	
C[C@H](C[C@H]1CCCC(C)(C)[C@H]1O)CC(C)(C)C	2020398130	AJTNHXPHXKDSMY-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1C[C@@H]1C[C@H](N)C1CCCCCCC1	2022562612	KAPRBTDSMVLXJT-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](O)(CCCCCC2CC2)C1	2025571591	CMMQJWFGJIABKY-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1C[C@H]2CCC[C@H]1C2	2026246016	WQAPWPHIQARZLN-HUBLWGQQSA-N	249.785	4.639	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H]1CCc2ccccc2N1	2027836909	NFKVAWPWBFUELX-HUUCEWRRSA-N	243.394	4.630	0	10	BJAE	
CC1([C@@H](N)c2ccccc2C2CC2)CCCCC1	2028562525	LVHZGQCHCXLPGR-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@H]2CCC[C@H]21)C1CCCCC1	2028770119	CAOGNYOOLDUHFH-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC=C(C)C)c1ccc(C2CC2)cc1	2029076191	XPHBXXFGZSBPBU-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@@H](C)CCC(C)C	2029834917	BNLDOZZQNCWRFO-DOTOQJQBSA-N	248.410	4.747	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)c1c(C)coc1C	2035533832	XTXYVPHVWHNXRT-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@H]1CC[C@@H](CC)C1	2035591572	LWKYWPGSAPTTMP-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@@]1(CCC2CCCC2)CC12CCCC2	2036106738	OSYRUQUKQJBVHB-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@@H]2CCCC[C@@H]2C)cc1	2037084521	SRGBHQUOZOMHGG-IAOVAPTHSA-N	245.410	4.636	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)CCC1=CCCCC1	2037171279	FHUUPRONLCMPII-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1c2ccccc2NC[C@H]1C	2037227168	ULGXSPNGFCOESC-HIFRSBDPSA-N	245.410	4.904	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(C2CC3(CC3)C2)CC1	2037306087	YBINLXNJENTDFL-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc([C@H]2CCC(C)(C)C(=O)C2)c1	2037873865	BIWJCRFMLLGWSM-HNNXBMFYSA-N	244.378	4.673	0	10	BJAE	
C[C@H]1CC[C@H](NC2CC3(CCC(C)(C)CC3)C2)C1	2038934316	SXBYTLLGGFJKEM-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](NCC[C@H]1CC=CCC1)C1(C)CCCCC1	2039873340	VOMBOSQIMXQLIV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)CC1CC2(CC2)C1	2042746474	FTQZCBOETGQXAC-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1CCC(C)CC1)[C@@H]1C=CCCC1	2043188602	VBDRAZUOAGXQRT-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H]1CCCCC1(C)C	2043193061	FUFWXEQFNIOAQT-GOEBONIOSA-N	249.442	4.824	0	10	BJAE	
N[C@@]1(C[C@@H]2CCC=CCCC2)CCC2(CCC2)C1	2045303996	ACFBXYVYTOVBIR-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H]2CCCC3(CC3)C2)C1	2045450100	NQKMDHYUBUKWGX-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@@H]1CC(C)=C[C@H](C)C1	2045759518	XPXZONQXRXVTEX-RRQGHBQHSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CCC(N)(C[C@H]2C[C@H]3C[C@H]3C2)CC1	2045890006	ICNFXEYBRFEEQG-AQRZSSMZSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@H]1C[C@H]2C=C[C@H]1CC2	2045982477	SVKXCEIHNVKMSL-MWDXBVQZSA-N	249.442	4.524	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@H]1CC12CCCC2	2047014873	FAGAGGHWTGXVIT-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CCCC1	2047349187	YKEXSDZKRXKFNU-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2[C@@H]3CCCCC[C@@H]23)C1	2048367399	ZBDUDPCVCTYDPI-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(NC[C@H]2[C@H]3CCCCC[C@H]32)CCC1	2048400078	YTDCWVUEICJGPP-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C(=O)CC2[C@@H]3CCCCC[C@@H]23)CC1	2048465791	OHDXJOHTMHOVMY-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CCC([C@@H](C)NCC2=CCCC2)CC1	2049418642	SQMMJXBJUWZZHV-ODIFPOPNSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC([C@@H](C)N[C@H]2CC=CCC2)CC1	2049425189	PNZRUJKDFWTMOF-VXLLPVPCSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)[C@]1(C)C=CCC1	2049998187	SVLPKWWOVVGJBZ-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC=C(C)C)c1cccc(C)c1	2050462654	CYKLTHKSRXJIEW-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CCN[C@@H](CC1CCC(CC)CC1)c1ccco1	2050527873	MPXDDPMHJKDDMS-NRXISQOPSA-N	249.398	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@]12CCCC[C@@H]1CCC2	2051400946	GMPWMEULYNQLLN-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@H]3CC[C@@H]32)c1	2052286432	KXHMFXXMIHBZFZ-RRQGHBQHSA-N	243.394	4.801	0	10	BJAE	
CC1CCC(C[C@@H](N)[C@H]2CCCCC23CC3)CC1	2053415569	JVZJOSPDLCWDKZ-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC[C@H](N)[C@H]1CCCCC12CC2)C1CC1	2053421670	XFTWBALZKUBWFN-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC=C(C)[C@@H](NCCC)c1ccccc1C(C)C	2056783274	UGJJPZVVQQABEJ-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
CCCC[C@@H]1NCC[C@@]12CCC1(CCCCC1)C2	2059470287	PLLSTYMAVKPGSM-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CCc1cc(C)c(C(F)(F)F)cc1C(F)F	2060347383	DTPMHEQLJLMNED-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CCc1cccc(CC)c1NCCC[C@@H]1C[C@H]1C	2062654123	YABPTDCDJOFZPF-CZUORRHYSA-N	245.410	4.660	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063498320	YNAQYPKHFGARAO-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063537135	ZRRPBNWMIZOUPT-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1CC2(C1)CC2(C)C	2064118179	PHSHVNZNQVKITC-GJEMEMOUSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](Nc1ccc(C2CC2)cc1)C1CC2(CC2)C1	2064489933	VBYVRRZIJIVMHR-GFCCVEGCSA-N	241.378	4.555	0	10	BJAE	
CC(C)[C@H]1NCCC1=C1CCC(C(C)(C)C)CC1	2067974106	BAQTXYRGHOZOBZ-BZSJEYESSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCCCCC1)CC1C[C@H]2CC[C@@H]2C1	2068713677	PQNJLIRAJIRREF-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC1(CNCC2(CC3CCC3)CC2)CCCCC1	2069585251	OKAWEIPZCQYMIL-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1CC(=C2CCC2)C1	2070307905	JDRLXEHZYGOCNY-KRWDZBQOSA-N	247.426	4.731	0	10	BJAE	
CC(C)(C)C1CCC(N)(C[C@]23CCC[C@@H]2C3)CC1	2070966416	HWLAJSAGXHXJBM-OGOZQZCJSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(CC(=O)C[C@@]23CCC[C@@H]2C3)CCC1	2071915861	SSEZMCLKNILAHP-CJNGLKHVSA-N	248.410	4.742	0	10	BJAE	
CC(C)C1(C[C@@H]2C[C@@H]3CCCC[C@@H]3C2=O)CCC1	2071926585	QYJJZZNTBDAOMM-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1cc(C)cc(F)c1	2072416205	CRSHVWKYPYGGQD-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCc1cc(NC[C@H]2CC[C@H](C)CC2)ccc1C	2072799560	UTDXWTFEYHAQOC-CTYIDZIISA-N	245.410	4.796	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@]23CCCC[C@H]2C3)CC1	2074023429	CJLJGQMOEHQDFA-USXIJHARSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H]1CCNC2(CCCCC2)C1	2074139636	UBEMMFYZBITMJM-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)C[C@@H]2C[C@@H]2C2CC2)CCCCCCC1	2079324356	NCCXGLVPYDFCMS-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C[C@@H]1c2ccccc2NC[C@H]1C	2079660012	JVXLFXKLGGGQDY-VDERGJSUSA-N	243.394	4.514	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2C[C@@H]2C2CCCC2)C1	2083032898	MNIJYTWUHRSFJM-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(N[C@@H]2C[C@H]3CCC[C@H]2C3)ccc1C	2086154496	UVBVMGBACPOFRJ-JLJPHGGASA-N	243.394	4.548	0	10	BJAE	
CCCC1CCC(C[C@@H](N)C[C@H]2CC23CC3)CC1	2086353305	WWRZRNPOPBGERR-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
F[C@H]1CC[C@@H](CCC=Cc2ccccc2)C1	2210661942	HMKWDYBPAXOZGN-CABCVRRESA-N	218.315	4.618	0	10	BJAE	
CC[C@H]1CC[C@](N)(CCCCCCC2CC2)C1	2213575816	JOCIGUIFMJCBCB-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
OC1(CCCCCCCC2CC2)CCCCC1	2213576456	PZLZTGPXBADLJN-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C1CCCC1	2214585746	TWFUYDHREVTRMM-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
N[C@H](CC1=CCCCCCC1)C1CCCCC1	2214766174	UCWJGJCKGFNCPK-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)C2CCCCC2)C1	2214769433	YJNVQFBPWDJCME-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](NCC)[C@@H](C)CC)CC1	2216285493	MFGCRZNJZYRLME-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CC[C@H]1C1CC1	2217239722	DXROBQYTCQIVML-ZFWWWQNUSA-N	249.785	4.503	0	10	BJAE	
CC1(CC[C@H](N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218353443	IKZNLBLQAPFOBY-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC(=O)C[C@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218375460	VEHNMWMHFFJRFL-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
C(CCC[C@@H]1CC[C@@H]2CCC[C@H]2N1)CCC1CC1	2218718227	LPXHQWJIFFNYFG-GVDBMIGSSA-N	249.442	4.658	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@H]1C[C@@H]1C1CC1	2218727741	WFJUXSYFWUAWLB-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC=CCN(CCCCCCC2CC2)C1	2218734345	DKNONRLCQXTLME-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@]12CCCC[C@H]1CCC2	2220045616	KVEWOJNRIHDKFV-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CC1(CNC2(C)CC3(CCC3)C2)CCCCCC1	2220977531	GWLNBAIHSLLUIJ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1=CC[C@](CNC2CC2)(C[C@@H](C)C(C)C)CC1	2221658738	CIQKFEWVVCEWQQ-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
C[C@]1(CC[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCN1	2222948371	HSCIONXOMVIIOQ-VVLHAWIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2222983368	YALULEYVXGELFK-OTJKEOIZSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](NCCC)[C@H](C)c1ccc(C)cc1	2223963660	KWYFZMIBKVMDNT-WBVHZDCISA-N	247.426	4.657	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)c1cccc2ccoc12	2224181667	QUWJLXFONCBABA-WFASDCNBSA-N	245.366	4.520	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CCCC[C@@H]1C[C@H]1C	2247162118	ATABXUJMSGMHEX-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
C1=C(CCc2nc3ccccc3s2)CCCC1	2247510118	QMWTTZKJRXCERB-UHFFFAOYSA-N	243.375	4.729	0	10	BJAE	
CCCC(CCC)Nc1c(F)cccc1CC	2248103233	XAXBOOAXKLLVRJ-UHFFFAOYSA-N	237.362	4.769	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)CCC1(C)CC1	2248850420	DZPCLXFTIOYBQK-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc2c(c1)SCC2	2250390974	UNOQYVUBKJFWMF-GFCCVEGCSA-N	249.423	4.573	0	10	BJAE	
CC1=C[C@H](NCC[C@H](C)CCCC(C)C)CC1	2250490342	IDZOSNLSDFSUBI-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@]1(O)CC(C)(C)CCC1(C)C	2251679313	RXDTXMPIFHBWDJ-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC1(C)CC(C)C1)[C@]1(C)C=CCCC1	2253770067	GDOGCNWVWDSQCM-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
C[C@@](N)(CCC1CC1)CC[C@H]1CCCCC12CC2	2253869098	VFHWDAFKXDVQCK-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](CC1CC1)NCC[C@H]1CCCCC12CC2	2253883204	HNDTZYFQDVWUSD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(=CCCNC1CC1)CC[C@@H]1CCC[C@H](C)C1	2253963489	QEODCVJPVLNIJU-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1C(=O)CC1CC2(CCCC2)C1	2254110055	DBXZNZHCGWQVFF-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCC12CCC2)C1CCCCC1	2254967946	ZDJRPRAHGZGMLP-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
C1=C(CCc2cc3ccccc3cn2)CCCC1	2255133397	ZCMOXMIFGWNKMN-UHFFFAOYSA-N	237.346	4.668	0	10	BJAE	
CC1(C)CC[C@@H](Nc2cccc(C(C)(C)C)c2)C1	2257879450	NLKGLSUSNKSDAT-OAHLLOKOSA-N	245.410	4.975	0	10	BJAE	
C[C@]1(CN)CCC[C@H]1CC[C@H]1CCCCC12CC2	2258813393	JAXSSDKFFYNNGK-ARFHVFGLSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1CC(=C2CCC2)C1)NC	2259447438	MYUBAMMCLLBGIP-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCCNC12CC2	2259676585	VVWCUWAWTUKEHJ-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCCN(C[C@@]12CCC[C@H]1CC2)C1CCCC1	2260574934	PXZIWAWOJJMRDN-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
CC(C)CC1([C@H](N)C[C@]23CCCC[C@H]2CC3)CC1	2260579626	SFFRPYCIJQKKDJ-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@@]12CCCC[C@@H]1CC2)c1cccc(N)c1	2260655991	FENUOKIJWHNXEI-WBVHZDCISA-N	241.378	4.643	0	10	BJAE	
Cc1ccccc1C(=O)C1CC(CC(C)(C)C)C1	2261184199	GPUUNXRQBIAFQR-UHFFFAOYSA-N	244.378	4.640	0	10	BJAE	
CCN[C@@H](C=C1CCC1)C1CC(CC(C)(C)C)C1	2261193630	NXIJMRRNSJGFJW-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](Nc1cc(C(C)C)ccc1C)C(F)F	2300460374	XQCFAEWSVHXNHQ-GFCCVEGCSA-N	241.325	4.574	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCCCCC1CC1	2300505240	KMNYTEMXBXHRTK-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1CCC[C@@H](C)CC1	2300684209	RLBBGWBOAGNRBH-ZBFHGGJFSA-N	239.447	4.713	0	10	BJAE	
CC(=CC[C@H](O)[C@H]1CC[C@H]1C)CCCC(C)C	2300865161	KAJQGRWJFKIBNU-PMPSAXMXSA-N	238.415	4.556	0	10	BJAE	
CCC(C)=CC[C@H]1CCCC[C@@H]1CNC(C)C	2300901337	IKHNGBXBIQOSLD-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCc1ccc2c(c1)CC(C)(C)C2	2300931762	MSBMDSNGQYLILO-UHFFFAOYSA-N	228.379	4.710	0	10	BJAE	
C[C@@H]([C@@H](O)CCCC1=CCCCC1)C(C)(C)C	2302360903	GRWKCKBABWOVHF-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1CCC(C)=C(C)C1	2303528098	ZBCJKSQBFVEILR-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CCC(C)=C(C)C1	2303597240	OJSHIBXVHNVKHZ-HOTGVXAUSA-N	235.415	4.600	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](O)C[C@H](C)CC(C)(C)C	2303611950	OZCVTOSACKVDPF-GBJTYRQASA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](O)C[C@H](C)CC(C)(C)C	2303611953	OZCVTOSACKVDPF-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
CCC1([C@@H](N)CC[C@@H]2CCC(C)(C)C2)CCC1	2304417386	CDOQRMOPHVDLDS-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)C2CCC2)c1F	2307573110	ZRFAXDBUECVELV-NSHDSACASA-N	235.346	4.550	0	10	BJAE	
c1sc(C2CCCCC2)nc1[C@]12CCC[C@H]1C2	2307695343	PSBVGGFIHQVSJN-WFASDCNBSA-N	247.407	4.632	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(N)CCCCC12CCC2	2307749630	MIKKYMHGDUEQEK-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](C[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1)C1CCC1	2308415192	YWQSPMFRMVWIKK-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@@H]1C[C@H]2CC[C@@H]1C2	2313180214	YHHPGIFSCSIMFB-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)[C@@]12CCCC[C@@H]1CC2	2313292502	QGQNJWOMFJYHDO-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
CC[C@]1(C(CC2CC2)CC2CC2)CCCCCN1	2313585447	XKWRGDKZQNNBDL-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCC1)N1CCC[C@@H]1C1CCCCC1	2313604712	BDNAIIYRHNFNSR-RHSMWYFYSA-N	249.442	4.610	0	10	BJAE	
CC(=CCN[C@@H](C)c1ccco1)CCCC(C)C	2316492706	UQVYCMPDPKIKDW-HNNXBMFYSA-N	249.398	4.703	0	10	BJAE	
CCC(C)=CC[C@H](NC)c1ccccc1C(C)C	2316501523	FMIZBXKQPBPPME-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CCC(C)=CC[C@H](O)[C@@H](c1ccccc1)C(C)C	2316533532	APFNFGXINYOOEP-DLBZAZTESA-N	246.394	4.534	0	10	BJAE	
CCC[C@@H](CCC[C@@H]1C[C@H]2C=C[C@H]1CCC2)NC	2317147704	FSGRLJBCLVIOJL-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)C1(C(C)C)CC1	2318576563	QIIOWWXQIYVYHF-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
NC[C@@]1(CCCC2=CCCCC2)CCCC12CC2	2318585893	BUXIMQYVRZCWQG-QGZVFWFLSA-N	247.426	4.566	0	10	BJAE	
CCN[C@@H](CCCC1=CCCCC1)[C@H]1CC1(C)C	2318587898	DFXPBMAWLHZPEW-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C(=O)CC[C@H]2CC[C@H]2C2CC2)CC1	2319731278	SLJWIVRYHYVVNT-UHDQLFAASA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)(NC[C@@H]2CC[C@H]2C(C)(C)C)CC1	2320245944	FIIFDPRCXLRNHR-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC(=C[C@H]1CC[C@H]1C(C)(C)C)C1CCC(N)CC1	2320311233	MRSWEAMWFGNSRA-GYTBAZASSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H]2CCCC23CC3)CC1	2320424909	UPVMWVRHEBIKPW-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C[C@H]2CC[C@@H](C)C2)c1	2320520965	MBJQKBVTURCVDS-KEYYUXOJSA-N	245.410	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@H](C)c1ccccc1	2328264658	DJIFGQBISWGKBE-HLLBOEOZSA-N	247.426	4.595	0	10	BJAE	
C[C@@H]1c2ccccc2Sc2ccc(Cl)cc21	6852482	VCCPQIQKDXKHNP-SECBINFHSA-N	246.762	4.956	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2ccccc2C)c(C)c1	20019561	XJZMWBYHAOBCOF-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc(Cl)c1F	20472080	DBBNBVJIHIOIBP-SNVBAGLBSA-N	243.753	4.860	0	10	BJAE	
CCC(CC)N[C@@H](C)c1ccc(C(C)(C)C)cc1	20556246	AALBPTJQVUYFDF-ZDUSSCGKSA-N	247.426	4.823	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc(Cl)c1	20560116	IDQNSUAJKBVCJF-LLVKDONJSA-N	225.763	4.721	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cc(Cl)ccc1Cl	21514056	WXAWTQBEPBHZEW-RKDXNWHRSA-N	246.181	4.840	0	10	BJAE	
Cc1cccc(COc2cccc3ccccc23)c1	60149506	QFUDDDVCQFESRT-UHFFFAOYSA-N	248.325	4.727	0	10	BJAE	
CCCC[C@H](CC)Nc1c(C)cccc1CC	69376985	IBKFNAZUGXBNCR-HNNXBMFYSA-N	233.399	4.938	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1cccc(Cl)c1	70558317	CPGGPRAAJXSKLN-FZMZJTMJSA-N	237.774	4.721	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC[C@@H]2CC)cc1	70977641	CARJZGZRUMRVCL-GOEBONIOSA-N	231.383	4.630	0	10	BJAE	
CCCCCCC1(N)CCC(C(C)C)CC1	71085025	OWFWYXNGQRRFTA-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CC[C@@H](N[C@@H](C)c2ccc(C)cc2C)C1	80457474	WXSWYZNJPRTAIM-HRCADAONSA-N	245.410	4.533	0	10	BJAE	
CCC1CCC([C@H](O)c2cc(C)cc(C)c2)CC1	85077872	MQDHMNOGOCNVNC-DQPZFDDXSA-N	246.394	4.553	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CCC(C)(C)C)CC1	86941278	ZLIVONMQBYIJOL-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)C(CC)CC	94678130	HFICFKQAQULOKV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc([C@@H](C)NCCC2CCCCC2)cc1	103986915	JINNRWKSGUPOSU-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
CCCCc1ccc([C@H](CCC)CCCN)cc1	107478668	NZZZRBMDHGMLGA-MRXNPFEDSA-N	247.426	4.652	0	10	BJAE	
C/C=C\C[C@@H](CC)c1cccc(C)c1C	107480773	ULFHUJVCXOLXTA-BRLPQQTGSA-N	202.341	4.763	0	10	BJAE	
C/C=C\C[C@H](C)c1ccc(SCC)cc1	107604533	DKGWXSXPMSWAIP-RNZFLTOJSA-N	220.381	4.868	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)c1ccccc1	109656301	LZHVUHSVKIGDQG-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(O)c1ccccc1	109697047	NWKPOLWUSGYRML-HOCLYGCPSA-N	234.383	4.501	0	10	BJAE	
CCSc1ccccc1N[C@H]1CCCC[C@@H]1C	109910948	SOYLFKNNXQSAIT-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
CCCN[C@@H](CC)C1CC(C)(C)CC(C)(C)C1	125067922	BOVYETQAMJSQCK-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1ccc(Cl)s1	132911462	FZQNITNTCIIXLA-GFCCVEGCSA-N	245.819	4.618	0	10	BJAE	
CCCNCCC(C)(C)[C@H]1CCCC[C@H]1CC	133911347	GOBPRDCFVOXHBQ-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCCCCc1cc2cc(Cl)ccc2[nH]1	166009323	XDKVIMIDJTYCHS-UHFFFAOYSA-N	235.758	4.944	0	10	BJAE	
CC[C@H](Nc1c(C)cccc1F)c1cccs1	224942546	IAWUDCGWMUEFGP-LBPRGKRZSA-N	249.354	4.759	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@@H]1CCC[C@@H](C)C1	229469572	CNPRTAPEQAEVNC-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C1CCC(O)(CCC2CC2)CC1	232852493	CLJWYKZIZKHEFT-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC1([C@H](NC)C2=CCCCCCC2)CCCC1	232902292	LWPKZHMBWIUIFW-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC1CCC([C@H](NC)C2=CCCCCC2)CC1	232927242	QYEPICMUIQZKRI-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)c1c(C)cccc1C	233333228	LCDSQYNGBSYQCH-XJKSGUPXSA-N	247.426	4.780	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)C[C@H]1C[C@H]2CC[C@H]1C2	250514237	FBPRRWUUUCIXBP-WMRDHKSYSA-N	249.442	4.537	0	10	BJAE	
C1CC[C@@H]2[C@H](C1)[C@H]1CCC[C@H]3CCC[C@H]2[C@H]31	263589130	FEBHUAJIEVOXIJ-AQGHMYMLSA-N	218.384	4.639	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(CC)c(C)c1	300867066	JZYNFPIVJGOWTI-ZDUSSCGKSA-N	219.372	4.548	0	10	BJAE	
C[C@@H](CC[C@@H]1CCc2ccccc2N1)C(C)(C)C	302515238	ZTDZKDACIBQBMP-DZGCQCFKSA-N	245.410	4.876	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](CCC(C)C)C1CC1	302518473	OMZUVZYOOIQVBP-OFQRWUPVSA-N	239.447	4.616	0	10	BJAE	
CCc1cc(SC)c(Cl)c2sccc12	306899124	ZGNPBPZXXDXUAB-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCc1cc2sccc2c(Cl)c1SC	307429324	ITVDJYFNRACNIK-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)c1csc(C)c1	308066507	XRGYCCLZJJWMCK-TZMCWYRMSA-N	239.428	4.519	0	10	BJAE	
CCCCC[C@@]1(C)[C@@H](CNC(C)(C)C)C1(C)C	310067247	URFCGTXSMFKFKP-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@H](O)C2CCC(C)(C)CC2)CCC1	310177872	VPXKRIHNVSRQQJ-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](NCCCC(C)(C)C)c1ccc(C)cc1	313263219	LLVUGTRPYNHAKI-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CNC[C@]1(CCCCCC(C)C)CCC[C@@H]1C	317000892	HKPLZISJMKZCHB-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCCCC2)CCC[C@H]1C	317724171	KDPAXKQVOWSQFW-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@@](C)(CNC(C)C)[C@H]1C=CCCCCC1	317791594	XJSSAMLGEKGTJT-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C(C)(C)C1CCC1	322766570	HXVTYXLECWJWOL-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
CC(C)[C@H](N[C@H]1CCCC12CCCC2)C1CCC1	324909384	JGGOWKWFEWLCOG-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](NCCC1CCCC1)C1CCCCCC1	379846715	FUXVTTJTTBYOLZ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCc1cccc(C)c1NCc1ccsc1C	383492976	BDQHRIZAXMZMJZ-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2(C)CCCC2)CC1	383694888	UOFODZTVUGRMRT-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CCCC1(C)CCCC1)C(C)(C)C	383855584	BTKWYLJSKBZXDL-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H](C)CCC(C)(C)C)[C@@H]1C	384161462	TVAVESDYIBOIMU-YJNKXOJESA-N	239.447	4.616	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H]1CCCC[C@@H]1C	384392407	ATODFBKYKFDNRN-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCCc1ccccc1C(=O)C1CCC(C)CC1	384453522	KALGHDYASNMMRG-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(C)c1ccc(C[C@@](C)(O)CC(C)(C)C)cc1	384566918	INSPSTUVDMBWFM-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
CCC[C@H](N[C@@H](C)CC(C)(C)C)c1ccccc1	384871816	IOFPYHNNVGDERO-HOCLYGCPSA-N	247.426	4.942	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H](C)c1ccccc1	385093299	GMTCYVXPXDQZOB-RHSMWYFYSA-N	247.426	4.724	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@H]1CC[C@@H](C)C1	385216018	QXVHQBQMVIRXDW-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CC2(C)CCCC2)cc1	385880706	BPZMSDSZCNXEIR-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@H]1CC[C@H](C)C1	386596264	KDRGWTJNLRWWOY-ZQIUZPCESA-N	245.410	4.507	0	10	BJAE	
CCc1cccc(N[C@H](CC)C2CCCC2)c1	387623817	CPSUQFLJBGSNES-MRXNPFEDSA-N	231.383	4.630	0	10	BJAE	
CCC(CC)(CC)[C@@H]1NCC12CCCCCC2	395238949	SWJXCDLJLAULBC-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](Nc1cc(C)ccc1C)C1CCCC1	395536715	AHJSVHFMLNEZDX-HNNXBMFYSA-N	231.383	4.684	0	10	BJAE	
CCc1ccc2cc(S)sc2c1C(F)F	396232440	CHVXYOZWEDEMJD-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCCc1ccccc1N[C@@H](CC)[C@@H]1CC1(C)C	397587208	AYIKEVUBHHEEAO-GJZGRUSLSA-N	245.410	4.876	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)C[C@H]2CC=CCC2)C(=O)C1	402209768	IWJQLOFIVMULHX-QLFBSQMISA-N	248.410	4.764	0	10	BJAE	
CC(C)c1ccc(-c2ccc([C@@H](C)O)cc2)cc1	404771037	PXAAOEIJOIJIKD-CYBMUJFWSA-N	240.346	4.530	0	10	BJAE	
CC1(C)CC([C@H](N)CC2=CCCC2)CC(C)(C)C1	688315363	FADSBYCUUUFBBB-OAHLLOKOSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)CC2CCCC2)c1	689790040	LTQYULGAWGJSIN-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCCC[C@@H]1C	691187456	PJHFBWVJPSCDHR-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCC[C@@H]2C[C@H]21	691742780	HTYHCOXSOZIKHY-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(CNC)(CC2CC=CC2)CC1	692135326	AXVKIKQJYJPREV-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C[C@H](CN[C@@H]1CCC12CCCC2)C1CCCCC1	693797459	SNJYNRMSJDJGBJ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CSc1ccccc1N[C@@H]1CCC12CCCC2	694404968	SBRYMQFQOPMTEK-CQSZACIVSA-N	247.407	4.543	0	10	BJAE	
CCN[C@@H](CCCCC(C)(C)CC)C(C)C	696700568	FLKLOJHYMHHVPH-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)CC1CCCCC1	696708499	BLHUEVBTFSVDHQ-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)CC[C@@H](CC1=CCCCC1)NC	696799036	IPWOHTBWSTYUPV-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C[C@H]1CCC[C@@]1(CNC(C)(C)C)CC1CC=CC1	700907356	ZRCWZQWYMNFCDD-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCC)C(C)(CC)CC	701242756	FMMWNULBAXKZCJ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1ccc2sccc2c1	701255926	UCBWLHATRRJAGT-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
N[C@@]1(CC2CCCCC2)CCCC12CCCCC2	704440414	GNPOLACAIUJQDN-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
C1CCC(CC[C@@H]2CCN[C@@H]3CCCC[C@H]23)CC1	709026247	ZNBFPNFAYWIFDQ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CNc1ccc2c(c1)CCC2)CC(C)(C)C	709188614	NYPQAHZELKPQGP-ZDUSSCGKSA-N	245.410	4.660	0	10	BJAE	
CC[C@H](C)C[C@@H](O)C1CC(C)(C)CC(C)(C)C1	711146693	CEVYARZHWMAOTN-GXTWGEPZSA-N	240.431	4.636	0	10	BJAE	
CC1(CN[C@H](C2CCCC2)C2CCC2)CCCC1	711860759	DQBRJAWFLWUUFV-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CC(C)(C)CC[C@@H]1C	713045385	RYDLVGLAOPXAEL-AJNGGQMLSA-N	239.447	4.616	0	10	BJAE	
Cc1cccc(N[C@H]2CC(C)(C)CC[C@@H]2C)c1C	713058438	IXTZYBQNDZJCNO-BBRMVZONSA-N	245.410	4.930	0	10	BJAE	
CCC(C)(C)CC1(C(=O)O)CCCCCCC1	713144982	FFQNUVLGFWZXHY-UHFFFAOYSA-N	240.387	4.628	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC(C)(C)CC)C1	713306514	CNXFOAUHWNXKSL-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCCCCC1CC1	716378742	KEPKGTYQZNSQEQ-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@]2(C)CC2(C)C)cc1	717038877	ZBPGWUVBHMSGCW-KRWDZBQOSA-N	245.410	4.832	0	10	BJAE	
CCNC/C(=C/[C@]1(C)CC1(C)C)C1CCCCC1	717127852	MMECTFOXGCMWSM-JBXOJTMHSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCc1ccccc1	720987209	SCJZMRYGLZRTBX-KRWDZBQOSA-N	245.410	4.525	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1cc2ccccc2s1	723125609	AAYKZDAVXSHFSC-ZYHUDNBSSA-N	244.359	4.520	0	10	BJAE	
CC[C@@H](C[C@@H](O)CC1CC(C)(C)C1)C(C)(C)C	723531375	JHUBNTBHCJLTNO-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)SCc1ccc(Cl)cc1F	1165744434	HJJMYPOWYXEWJF-VIFPVBQESA-N	246.778	4.757	0	10	BJAE	
C/C(=C\Cl)CS[C@H](C)c1ccccc1	1473021293	AGJKXQMZSHDWRA-RJCSOLBVSA-N	226.772	4.623	0	10	BJAE	
C[C@H]1CC[C@@H](Sc2ccc3ccccc3n2)C1	1613254719	HUDXHNQIKWDPOH-WCQYABFASA-N	243.375	4.516	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNCCCC1CCCC1	1648689130	LMTBQUUIIJZHCM-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
C[C@H](CC1CC1)N[C@H]1CCCCC12CCCCC2	1875418158	GXTYVVBZURPVQD-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](C=C1[C@H]2CCCN[C@H]2C1(C)C)CC	1911824371	VJQFGQNHKFOWGX-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@H]1CCC2(CCCCC2)C1)C1CCC1	1915921922	FNZZRLPNEFWAFZ-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CC1(CN[C@H]2CCC3(CCCC3)C2)CCCCC1	1916430617	MOYMKNWMCISARC-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCCCCC[C@@](C)(O)Cc1c(C)cccc1C	1919973545	MGWWPSJGPRBUBV-QGZVFWFLSA-N	248.410	4.567	0	10	BJAE	
CCCCCC[C@@](C)(N)Cc1cc(C)cc(C)c1	1920188614	UTPHQUTWQVPAGH-QGZVFWFLSA-N	247.426	4.534	0	10	BJAE	
CC1(C)C[C@H]1CCC1(CNC2CC2)CCCCC1	1921484321	KRTKEAIQCUJNIT-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC1CCCC1)[C@H]1CCCC12CCC2	1921593998	BCKTTYBRPVUBMP-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)[C@H](C)C1CCCCC1	1924077054	YLAPLDDPDPWNCN-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(C[C@H]2C=CCCCC2)c1	1925818336	ABEHQHKXICKESH-HNNXBMFYSA-N	214.352	4.592	0	10	BJAE	
CCC(CC)CCNc1cc(F)cc(Cl)c1	1926158368	WGXNWOWMRNAQSX-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CC(C)C(C(C)C)[C@H](C)NC[C@H](C)C(C)(C)C	1940246209	OQCLLAZHXHKGLJ-KBPBESRZSA-N	241.463	4.575	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2(C)CCCCC2)C1	1940378512	KGDBICPUQJWJCE-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(O)CC1(C)CCCCC1	1940405979	DVDPZCAIBDCZTN-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(O)CCCC1(C)CC1	1940870505	UJJXQZBCWKWXAO-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@]1(CO)CC=CC[C@@H]1C	1940948956	SNSOVWGAWHPPPQ-JKSUJKDBSA-N	238.415	4.558	0	10	BJAE	
CCC[C@H](C(=O)CC1CCC=CCC1)C(C)C	1941797015	ROUMUBZBPCUHGS-HNNXBMFYSA-N	236.399	4.764	0	10	BJAE	
CCC(CC)C[C@H](CNC(C)(C)C)C1CCC1	1942093360	QBXLAZUMKMIRNE-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](O)[C@@]12CCCC[C@@H]1CCC2	1944148913	VOGFQAGLZUZOEA-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)C(C)(C)C1CCCCC1	1944619252	VQZXCOZXAWACFU-DZGCQCFKSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@H]1CCC(C)(C)C1	1945590896	HVGFRWYNLOCZHY-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1N[C@@H]1CCS[C@@H](C)C1	1946365986	ZQEIWVNMMYWSCF-QWHCGFSZSA-N	249.423	4.506	0	10	BJAE	
CCN[C@@H](CCC(F)(F)CC)CC(C)(C)CC	1948001455	RDTPQTRVVJKCRG-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCN[C@H](CC(C)C)CC1CCC(CC)CC1	1948861239	FMYTUGRHVVIJMJ-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H]1c2ccccc2NC[C@H]1C	1949091150	HWRWROBELXISID-RSUWNVLCSA-N	231.383	4.514	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)[C@@H]2CCCCC2(C)C)C1	1949495075	DBDPQLDJZTVIKA-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@@H](N)[C@H]1CCCC(C)(C)CC1	1950921246	DGMUCDRLEKXZHA-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCC1(C[C@H](N)[C@H]2CCC[C@H](C)CC2)CCC1	1950931827	ZNAWMVALUVLYJY-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)CCCC(C)C)c1	1968340724	CGBKMGXYACFSDZ-CYBMUJFWSA-N	237.362	4.761	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC[C@@H]1CC(C)C	1968528373	QFUYNDQSNFNHBF-WBVHZDCISA-N	245.410	4.876	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H]1CC(C)C)c1ccccc1	1968550302	XSCAYSCAZNQXLQ-IXDOHACOSA-N	245.410	4.552	0	10	BJAE	
Cc1cccc(N[C@H]2CCC3(CCC3)C2)c1Cl	1969847381	YQRXOKDLKDBGME-LBPRGKRZSA-N	249.785	4.783	0	10	BJAE	
C[C@H]1CC[C@@H](CNc2cccc(C3(C)CC3)c2)C1	1973398762	UFCKYVCNPCCOQE-UONOGXRCSA-N	243.394	4.586	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@@H](C)CC(C)(C)C	1976003600	OJNUBENPUGAJCY-CHWSQXEVSA-N	228.420	4.636	0	10	BJAE	
CCCCC[C@@H]1CCCCCCC[C@@H]1NC	1980350011	CJJMXCPXSKNDEN-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H](C)CC[C@H](N)c1ccc(Cl)cc1	1980691074	YHHGKLJWHGZYHC-RISCZKNCSA-N	239.790	4.556	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](CCC(C)=C(C)C)C1	1982563948	DTCGAKBRRCGVEH-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCCc1csc(C2CCC3(CC2)CC3)n1	1983318605	OAPORGCYVSHXAB-UHFFFAOYSA-N	235.396	4.533	0	10	BJAE	
CC=CCCC[C@@H](CCCCC)NCCC	1984619757	XIDFJTOMPBEUCK-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C(C)(CC)CC	1995261153	BJVIDYNRCICIIE-KBPBESRZSA-N	228.420	4.780	0	10	BJAE	
C[C@H](NC1CCCCCC1)C1(C)CCCCC1	1995992376	XROLMIHHYUVCHZ-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CCCCCC(C)(C)CNC[C@H]1CC[C@@H](C)C1	1996223460	SFNFUWUZWVZWLP-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCCCCNC[C@H]1CCC[C@H](CC)CC1	1997101244	XTLYIQHJWSPJTN-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
CC(C)=C(C)CCc1ccc2ccccc2n1	1997992491	MPHPTUWXQIODDZ-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1CC(C(C)(C)C)C1	1998236317	HPZRXODEGBBDTB-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](O)CCC2CCCC2)C1	2000025725	XIVVPHHKVYVGFX-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC(C)(C)C(C)C	2000318015	YUILJAYSVVXFGH-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCCC1([C@@H](CCC(C)(C)C)NCC)CCC1	2000377349	VTRJEPFPGJCIGZ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCNCC(CC)(CC)[C@H]1C=CCCCCC1	2000500700	XHHJXNCWKGMGEU-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](CC)(CN)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2000501017	AXXRPBQATIRYQW-QKPAOTATSA-N	239.447	4.604	0	10	BJAE	
CCCCN([C@@H](C)CC)[C@H]1CCCC(C)(C)C1	2000907889	RTCPZHFPZFFFCN-GJZGRUSLSA-N	239.447	4.856	0	10	BJAE	
CC1(C)CC(C)(C)CC(O)(CC2(C)CCC2)C1	2001136406	FQUUFOBSLFMJLH-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCCC(=O)[C@@]1(C)CCCCC1(F)F	2002583992	WJLYQLAOOPCWDK-CYBMUJFWSA-N	244.325	4.518	0	10	BJAE	
CC1CCC([C@H](C)N(C)CCC(C)(C)C)CC1	2002960721	FQBHJUQCVMIFHX-SLTAFYQDSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@H]1CCCCCC[C@@H]1CCC(C)C	2003115779	DGETVLUGYHPQBD-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCCCC(F)(F)C1	2003174924	HQRAZIZWGCRCNJ-LBPRGKRZSA-N	246.341	4.742	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)C[C@@H]1CCCC2(CC2)C1	2003196135	AZKPHEKFMLENBJ-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@]1(C)C=CCCC1	2003329026	HXQXOMPLIJBEMO-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC1=C[C@@H](N[C@H](c2cccs2)C(C)C)CCC1	2006908482	WXMYHEDTKHYRAD-ZFWWWQNUSA-N	249.423	4.534	0	10	BJAE	
CCC(CC)C[C@H](O)C1(C)CCC(C)(C)CC1	2007697898	QSIHADAFVZHFAZ-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(O)CC(CC)(CC)C1	2009300144	VEQYTBHRVBTEDL-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H]1CCC(C)(C)CC[C@H]1NC	2009408428	UEYJCDLKTLQGOZ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H](C)C1CCC1	2009629519	SUIUFXBOYKYCGG-CXFYGJIZSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)[C@@H](O)C1=CC[C@@H](C(C)(C)C)CC1	2010724200	ZKLXSCSRGRAKDH-NWANDNLSSA-N	238.415	4.556	0	10	BJAE	
CN[C@H]1C[C@@H](CCCC(C)(C)C)CC(C)(C)C1	2012063259	QYWRIUQJVMZXDT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H](C)C1(C)CCCC1	2014339741	NNPFEGSXRGEKMF-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
C/C=C/CCC[C@]1(CNC(C)C)CCC1(C)C	2014845229	CVOHNRBSLCWAHA-FYCOFBDGSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)[C@@H]1CCC1(C)C	2014904085	VEVRHFNGPWXNMJ-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC1(C(C)(C)C)CCC1	2017114194	JJEDUVVEKMPZAN-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C(C(C)C)C(C)C	2017492278	WUXGXPGHFXAYNI-MRXNPFEDSA-N	239.447	4.639	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](O)C[C@H]1CC[C@H](CC)CC1	2017652763	KUVGXGJJYIQDKA-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(CCC[C@@H](N)C(C)C)CC1	2017733954	PNDYURVNJIWQII-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(C[C@@H]2CC(=O)C[C@@H](C)C2)CC1	2017773637	CXFIJHMLWDIJDO-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(NC[C@@]23CCCC[C@H]2C3)c1Cl	2018586555	FIEVVGPZDCRPCZ-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCCC(C)(C)C2)CC1	2018925877	TZNLKLSDHHBVBL-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)C[C@H]1CCC[C@@H](C)C1	2019171232	BLCNAFSLPUBVHG-ILXRZTDVSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC(=O)[C@H]([C@H]2C=CCCCC2)CC1	2019536599	NKGMZONBWZWYBH-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCCCN(C1CCCC1)[C@H]1CCCC[C@@H]1C	2020535660	KLOHELZOLXKSJT-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](CC(C)(C)CC)NCC	2022482383	BRALMJMTGYSENP-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](N)C[C@H]1C[C@H]1C1CCCCCC1	2022490302	RQWZOBWNUJMQIC-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCc1cc(F)ccc1NCCC(C)(C)CC	2023454494	NGKZUCHLEFBYTC-UHFFFAOYSA-N	237.362	4.626	0	10	BJAE	
CC(=O)C[C@@H](C)CC1CC(C)(C)CC(C)(C)C1	2024092416	QZQPZJLXLIRXQW-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CC(C)(C)C1(C)C	2025022154	XUXHFFFQZDXXLK-KBPBESRZSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC1(CCC)CC1	2026169139	GQSSETAMMTYRHJ-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@H]1CC=CCC1	2027520067	JSQGLQICLHBAMB-CQSZACIVSA-N	242.362	4.739	0	10	BJAE	
CCC(CC)(CC)[C@@H]1Nc2cc(C)cc(C)c2O1	2027861645	YGVWMCUTWZTVJD-OAHLLOKOSA-N	247.382	4.650	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)c1ccc(C2CC2)cc1	2028598129	NRQMNDOSPHDAPJ-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC2CCC=CCC2)C1	2028872390	FIGKICQMDCLCLS-GOEBONIOSA-N	248.410	4.908	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1ccccc1C(C)C	2029826856	SJBSJVMDQUHZDY-YOEHRIQHSA-N	248.410	4.916	0	10	BJAE	
CCCCc1ccc([C@@H](N)C(C)(C)C(C)C)cc1	2032347229	VNDZNOKVFFKPLO-MRXNPFEDSA-N	247.426	4.711	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC[C@H]2C)CCC=CCCC1	2032504771	DASKJMGZJNRPPU-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
C1CCCC(N[C@@H]2CC[C@H]3CCC[C@H]3C2)CCC1	2033069903	TYYKPQQGHDUBBG-HLLBOEOZSA-N	249.442	4.658	0	10	BJAE	
CN(C1CCCCCC1)C1C[C@H]2CCCC[C@@H]2C1	2034131614	JNWXKARIDDURJN-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@H]1C[C@H]1C=CCCC1	2035590620	KUQGZANCOGQOLR-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
C[C@](N)(C1CCCCC1)[C@@H]1CCC2(CCCC2)C1	2037591034	ZIWCXZOPJNQOAL-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)[C@H]1CC12CCCCC2	2039005904	LVGGJLJEYKEZTE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1)C1(CC)CCC1	2039719063	CLTNWNQQCJSSIR-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
N[C@]1(CC2CC=CC2)CCCC2(CCCCC2)C1	2040764862	IYCMOVQPGFNXCX-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC(C)C[C@@H]1CNCCC1=C1CCCC(C)(C)C1	2045508977	XVLRNFLWIMUGCF-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@@H]1CC12CC2)C1(C)CCCCCC1	2045799943	QJKSTCPFTNNNCO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN(CC1(C)CCCCC1)c1ccccc1F	2046574486	DQCXZDPOUXASSW-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
CC(C)(C(=O)[C@@H]1CC[C@@H]2C[C@H]2C1)C1CCCCC1	2047340114	JHDJOFSUTHVURT-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
O=C(CCC1=CCCCC1)C[C@@H]1CCC12CCC2	2047932508	MSNVQHBPRWSROC-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@H]1CC2CCC1CC2	2049704919	QGBMLFDZGWHYEU-SSHXOBKSSA-N	248.410	4.742	0	10	BJAE	
Cc1ccccc1[C@H](O)C[C@@H]1CCCC(C)(C)C1	2050429883	ZQIZRULQKYOJDJ-GOEBONIOSA-N	246.394	4.635	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)C1(C2CCC2)CC1	2051908359	KYDMRIXVPSVPIV-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)C2(C)CCC2)c(C)c1	2052348871	MZVHNQLLSSBWFO-CABCVRRESA-N	245.410	4.533	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H]1CCC[C@@H]1C(C)C	2056446731	HZPVSQLTALMWAG-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H]1CCC[C@H]1C(C)C	2056446889	ARFNBYULVMTTHO-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1CC(CC(=O)[C@@H]2CCCCC23CC3)C1	2056672435	XINHNQBMZAOUIO-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
CC=C(C)[C@H](NCCC)c1ccccc1C1CC1	2056776543	MQRRRCXHLDBDQY-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCC1(CC)CC(N)(C[C@H]2[C@H]3CCCCC[C@H]32)C1	2058834993	JJJCIMBUXJDOMI-QDMKHBRRSA-N	249.442	4.501	0	10	BJAE	
CCCCC1CC(N)(c2cccc(C(C)C)c2)C1	2059498468	ZNEFQTUEHMVUKI-UHFFFAOYSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCC[C@@H](C(C)C)C2)CC1	2061114533	YZUPIPGWRPHUSE-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C1=CC[C@@H](CC)CC1	2061147216	MPORNTMUHUDBJJ-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)C[C@@]12CCC[C@H]1C2)C1CCCCC1	2061603898	WKSUPDQGOBCAAM-KMFMINBZSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CCCC12CCC(CC1)C2)C1CC1	2065339945	QPMJCARMTGAETR-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCC1	2068707056	FDUSMWZBBBESRP-ZSOGYDGISA-N	248.410	4.598	0	10	BJAE	
CC(C)C(CCn1ccc2ccccc21)C(C)C	2069000394	VMIAOUXQHFVTKJ-UHFFFAOYSA-N	243.394	4.960	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)C[C@@H]2CC23CCC3)CC1	2069205929	YEJNDOWALYBRMG-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](NC)[C@]23CCCC[C@H]2C3)CCC1	2069337285	JLZKJSBWYKIZKJ-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@@H]1CC)C1=CC[C@H](CC)CC1	2071509610	CVHGSHCWFNDKET-NXNVCVFFSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C(=O)CC2(C(C)C)CCC2)ccc1F	2071916631	BDRHFOTVQNRXDP-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCN[C@H](c1ccco1)C1(C(C)(C)C)CCC1	2071927794	DPVTUMMYUXVSJE-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)Cc1ccccc1C(C)C	2072760571	PMDNOWNLMVUQTG-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
C[C@@H](NC[C@]12CCCC[C@@H]1C2)C1CCCCCC1	2074044419	YTXQGFGIFLCVAZ-DJIMGWMZSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](C[C@@]12CCCC[C@H]1C2)C1CCCCCCC1	2074091219	OKIOWARBNRXSAU-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@]23CCCC[C@@H]2C3)CCC1	2074092902	AMTVMDHVGAXOFD-CJNGLKHVSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H](NCC)C23CCC(CC2)C3)CC1	2074643345	DNTDRRLYUSATHU-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCCCN1[C@@H]1CCC12CCCCC2	2075012107	GCBHBWWKZOQEGL-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
C1=C[C@@H](N2CCC[C@H]2C2CCCCC2)CCCC1	2075405412	OZAMBAGODZDJSS-SJORKVTESA-N	247.426	4.530	0	10	BJAE	
CCCc1ccc([C@@H](CC=C(C)C)NCC)cc1	2081789175	MXBOJWVUBNTEHZ-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2CC(=C3CCC3)C2)C1	2083017022	HVRUHJFUOGJKDH-OAHLLOKOSA-N	246.394	4.662	0	10	BJAE	
CC1(C)C[C@](N)(C[C@H]2CCCC3(CC3)C2)C1(C)C	2084339906	DEHOAOAMZMBONY-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]2CC[C@H](C1)N2[C@H]1CCCC[C@H]1CC	2084509287	ABXAQXKJYQTQFJ-UUAJXVIYSA-N	249.442	4.608	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1scc(C)c1C	2210569421	IVNMPDMOTHBVFQ-CYBMUJFWSA-N	237.412	4.501	0	10	BJAE	
Cc1csc(CC=Cc2ccccc2)c1C	2210662035	ISAYXEDAFVZMRQ-UHFFFAOYSA-N	228.360	4.621	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@@H](O)CCCCCCC1CC1	2213583578	UBOJACJQFHWOIS-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
Cc1sc([C@@H](N)C2=CCCCCC2)c(C)c1C	2215537147	KPIPSQNPOFPBFP-AWEZNQCLSA-N	249.423	4.564	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H]1CC=C(C)CC1	2215812210	IVFYNCIWOIVXJY-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](N)(C2CCCCC2)C1	2216252760	MRIDNHVZHIZDMC-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CCCF)CN[C@H](C)CC	2217123896	CFCYFIVCEIRJJI-HUUCEWRRSA-N	245.426	4.711	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC(C)(C)CC)C(C)C	2217127012	GKSPOYDDPROKBS-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CC1CC(C(=O)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2222953739	DUCVPICPPLSUJM-ZHGALXRWSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC=C[C@](N)(CCCCCCCC2CC2)C1	2223122437	LDBSSSNSQLLBMB-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CCC2)CCCC12CCC2	2223588390	HCRGNWWLHMWEGS-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@@H]2CNc3ccccc3C2)CCCC1	2223662976	QTICCZOFEMFEJV-AWEZNQCLSA-N	243.394	4.631	0	10	BJAE	
C=CC=CCC[C@@H](O)c1ccc(C2CCC2)cc1	2223689971	SSANFGSYNHJLJN-QGZVFWFLSA-N	242.362	4.510	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCCCCC2=O)C1	2246656071	IUIDLUQUYBTILK-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CCC(CC)C[C@H](N)CC[C@H]1CCC[C@H](C)C1	2246659434	ILDHJFZGEPFFOR-NUEKZKHPSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@H](CCSc2ccc(N)cc2)C1	2246725351	GPKBNCOVRKGZJG-QWHCGFSZSA-N	249.423	4.577	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](O)C1CCCCCC1	2247164642	OLFQRWNEAMHGPA-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)NCCCCC[C@@H]1C[C@H]1C	2248866775	RNRQIBHXSDSVTL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C(=O)CCCCC[C@@H]1C[C@H]1C	2250363762	BOXUJSVUJRNPHY-QLFBSQMISA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)CN[C@]1(C)CCCC(C)(C)C1	2250377645	GRHRGDNWKCYNCM-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC1=C[C@H](O)CCC1	2250481454	LUILOGUKCVOOAK-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](C(=O)O)C(C)C	2250496502	SGPPRMFWNBJOLI-KGLIPLIRSA-N	242.403	4.586	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@@H]1NCC[C@@H]1C	2250530576	USNDUGPYHBRGKJ-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@]23CCCC[C@H]2CC3)s1	2251122797	FCCAXTNVSKLTMG-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
C[C@H]([C@H](O)c1ccc2ccsc2c1)C(C)(C)C	2253089113	ZZMWIPMJKPGONZ-YGRLFVJLSA-N	248.391	4.617	0	10	BJAE	
CC(C)C[C@H](C=CC[C@@H]1CCCCC12CC2)CN	2253816822	UXKBLCVAECCJAH-HOTGVXAUSA-N	249.442	4.524	0	10	BJAE	
C[C@@H]1C[C@H]2CCC[C@@H]2N1CCCCCCC1CC1	2254252575	SZQZRGVGOATVKP-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CC1CC2(C1)CC(C(=O)C1CCC(C)(C)CC1)C2	2254480875	PHBCYTJVADEUEK-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@](O)(CC1=CCCCC1)C2	2255062926	JRVYVJHAQRDNLT-BBWFWOEESA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)[C@H]1CCCC12CC2	2257255885	KYMRIIQGVFETEG-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@@H]1C=CCCC1(C)C	2257359617	AVCQQGBLQFFRIY-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1CC(C)(CNc2cccc(C(C)(C)C)c2)C1	2257909181	XLXITFZYTRITDY-UHFFFAOYSA-N	245.410	4.832	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@]23CCC[C@@H]2CC3)CCC1	2260582486	JXKSHGIOGBRZSB-CZUORRHYSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@]12CCCC[C@H]1CC2	2260588415	RVYSRSVHHGEPAG-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@]12CCC[C@@H]1CC2	2260652015	OWMQGFPUCLYTES-DJIMGWMZSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@@]12CCC[C@@H]1CC2	2260652016	OWMQGFPUCLYTES-HYVNUMGLSA-N	249.442	4.502	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@@H](C)c1ccccc1	2263191937	RQNPEIWKSIECKG-INIZCTEOSA-N	247.426	4.752	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCC[C@@H]1C[C@@H]1C	2297876673	QADKLPBXIALFRR-QXSJWSMHSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](N)C(CC1CC1)CC1CC1	2298862374	SUPGSHSGKCDAJA-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1	2300687558	DFKYYQUSHZCFHG-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCC(=O)C1C[C@@H](C)C[C@H](C)C1	2300697515	PULYHPPWYNDMQS-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CC)CCC=C(C)CCCC(C)C	2300902369	TYUQKHMMPVVVOK-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CC=CC[C@H](NCC)C1(C)CCCCCCC1	2300904894	TUTCHSMMZDXSLV-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H]([C@@H](C)[C@@H](C)C(C)C)[C@H](C)CC(C)C	2301836534	NFFWXTDODYZODE-FXUDXRNXSA-N	241.463	4.575	0	10	BJAE	
CCCc1ccccc1N[C@@H](C)[C@@H](C)C(C)C	2301961318	JPLRNECTDIBWPD-KBPBESRZSA-N	233.399	4.732	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@@H](C)[C@@H](C)C(C)C	2301976621	ZLCYMTYCIHBUAR-GJZGRUSLSA-N	241.463	4.815	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@@H]1CC[C@H]1C(C)(C)C	2303461629	LCQFAUYBUFONBF-WOSRLPQWSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H](CC1CC1)C1CC1	2303841555	TTYMDKGDIYCHAX-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)C1(C)CCCCC1	2307816508	GAOPHLJGJOITNO-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCCCC[C@H]1NC	2307903672	PHZPLHNMRACWDM-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1CC[C@@H]2CC[C@@H]21	2308172308	YNTZTSOFAWACCR-QAETUUGQSA-N	249.442	4.514	0	10	BJAE	
C1CCC[C@H]2[C@@H](CC1)C[C@H]2NCCCC1CCC1	2309183540	MAOBOEISZVHJTO-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1C[C@@H]2CCCCCC[C@@H]21)C1CCCC1	2309185140	RMSREHKIWDCUTR-HJWJTTGWSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2CCC[C@@H]3CC[C@H]23)CC1	2309518709	ZISXBENZDDMZSJ-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C[C@@]23CCCC[C@@H]2C3)CC1	2311163686	QUFLFSNCDDSBEY-HWMZRRJGSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2311610429	QSQCPYCAFXMEAH-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@H]1C2	2312899815	NXEOFULVQATUPL-QOIQYRQASA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCCN1[C@H]1CCC2(CCCC2)C1	2313619709	SIFILVCLJGIXLP-HNNXBMFYSA-N	249.442	4.754	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H]1C[C@@H]2CC[C@@H]2C1	2316510560	NGYYACZWEVDLIC-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(C[C@@]2(C3CC3)CCCCCN2)CC1	2316864512	DTPSFLBOWCSWTC-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@@H](C)[C@H](C)C(C)C	2317628397	ADNOTQWQLSUGIC-ILXRZTDVSA-N	247.426	4.580	0	10	BJAE	
C[C@@H]1[C@H](Nc2ccccc2C2CCC2)CC1(C)C	2318252517	QEIXOZHHQKKCGE-MLGOLLRUSA-N	243.394	4.801	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CCCC2=CCCCC2)C1	2318593460	VGDRXKDPZSRWMQ-DLBZAZTESA-N	249.442	4.825	0	10	BJAE	
O=C(CCCCC1CC1)[C@H]1CCC2(CCCC2)C1	2318878414	ASHFKXKTHPPPPC-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1N[C@@H]1CCCCC12CCC2	2320144090	LQZIQXQMGKGEJW-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CCC3(CCCC3)C2)CC1	2320407204	YIUBVGBZRRZJPI-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2CC(C(C)C)C2)CC1	2320412493	JWUWQUHTPGHNJG-QQFBHYJXSA-N	248.410	4.764	0	10	BJAE	
CCc1cc(F)cc(NC2CC(CC)(CC)C2)c1	2321092882	FQZGRQXLQXIEDL-UHFFFAOYSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@H]2CC23CCCC3)C1	2321605169	JKLJLTQQBQPSGF-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@H]2CC=CCC2)c1	2327658565	ZYAAAGVDEHSNTK-AWEZNQCLSA-N	242.362	4.657	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1c1cc(C)ccc1C(C)C	2327781378	JEZGUVBUKNVTKT-ZFWWWQNUSA-N	244.378	4.591	0	10	BJAE	
CCCCCCc1ccc([C@@](C)(N)C(C)C)cc1	2327900064	PTPPBQSRHQDLRB-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CCCCCc1ccc(N[C@@H](C)C2CC2)cc1	19998174	LVVWIJMICXKEEI-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCC(C)C)c(Cl)c1	20471113	QDHXCSSETQTKCM-LBPRGKRZSA-N	239.790	4.885	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(C(C)C)cc1	37199969	VUYIXIDVVMEOMI-ZDUSSCGKSA-N	219.372	4.801	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1cc(CC)ccc1CC	70440699	NOFWKZRRHAYWEJ-DYVFJYSZSA-N	247.426	4.508	0	10	BJAE	
CSc1ccccc1N[C@@H]1CC[C@H](C)C[C@H]1C	85097259	ZYZGFIZQFWIEAB-YNEHKIRRSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](Nc1ccsc1)c1ccc(C)cc1	85528265	PMVYZZAVVJQGRV-AWEZNQCLSA-N	231.364	4.620	0	10	BJAE	
CCCCC[C@H](C)Nc1snc2ccccc12	90869083	IEDCVHQPTTUMHH-NSHDSACASA-N	248.395	4.677	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC1(C)C)c1ccccc1	94306024	PDKABNXPZCLYEZ-JKSUJKDBSA-N	245.410	4.696	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H]1CCC[C@H](C)C1	103940797	INKHJVSVPQZEKL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1ccc(F)c(C)c1	104387946	BQYQIMYZADNYJR-GXTWGEPZSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](N)c1ccccc1	109655962	BCFCQRMCLLSJEV-HOCLYGCPSA-N	233.399	4.683	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1c(C)cc(C)cc1C	109786899	FUJZLINWJBMNRE-DOTOQJQBSA-N	248.410	4.862	0	10	BJAE	
C[C@@H](Nc1ccc2sccc2c1)C1CCCC1	109811009	INHTXBZKGIMQRQ-LLVKDONJSA-N	245.391	4.892	0	10	BJAE	
CC(C)c1csc([C@@H]2CCC[C@@H](C)C2)n1	131968716	JJAWJFCONAVIAD-GHMZBOCLSA-N	223.385	4.560	0	10	BJAE	
C[C@@H]1CC[C@](O)(CCC(C)(C)C)c2ccccc21	137040610	YIVURKDRWCXRBM-DYVFJYSZSA-N	246.394	4.598	0	10	BJAE	
CCCCNc1cccc(-c2ccccc2)c1	149663891	PUQOSRGRMKBOTB-UHFFFAOYSA-N	225.335	4.566	0	10	BJAE	
CCCCCC[C@@H](N)c1cc2ccccc2s1	158476960	TXDWSDQDFXZAIF-CYBMUJFWSA-N	247.407	4.872	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC1=CCCCC1	161373064	FEYACYJNEBWKIV-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCNC[C@@](C)(CC1CCCCC1)C(C)C	164359926	GYKLJUSENJOIJW-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)NC[C@@](C)(CC1CCCCC1)C(C)C	164378518	YGQFOWUUJAHKTG-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	164737203	HSWZUDSUBUXUJM-RRFJBIMHSA-N	236.399	4.598	0	10	BJAE	
CCCCC1CCC(N)(CCCC(C)C)CC1	166241753	ZKJKJWRGBOVXEG-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CCC2CCCCC2)c1	166783479	IDBKRAYUEWYPLW-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CCN[C@H](c1ccccc1C1CCC1)C(C)(C)C	169035612	CZZFJFNRRFIIGL-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
C/C(=C/Br)c1ccc2ccccc2c1	221793144	GZYJOVXXBJCTBD-KTKRTIGZSA-N	247.135	4.596	0	10	BJAE	
Fc1ccccc1OCCCCCCC1CC1	226128821	MLCYFYVMRPMBCX-UHFFFAOYSA-N	236.330	4.565	0	10	BJAE	
CC(C)CCC[C@@H](N)c1cc2ccccc2s1	229174975	CSTZUVCTSLXLTH-CYBMUJFWSA-N	247.407	4.727	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)c1cc(C)cc(C)c1	229495815	ZMZVYKQECNINKJ-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(C2CCCCCC2)C1	231014135	KHSVLWUELQINTC-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)[C@@H](C)CCC	233122558	AWUGAGVYULRXNL-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2ccc(Cl)cc2)C1	235716383	PWPFCTDQWDIMSL-DGCLKSJQSA-N	249.785	4.744	0	10	BJAE	
CC[C@@H]1O[C@@H]1C[C@H](C)c1c(C)c(C)cc(C)c1C	251477601	BYTUTJXDKBSRRK-VBNZEHGJSA-N	246.394	4.591	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@H]1CCC[C@@H]1C	300282814	IYHXGTVESGHTKO-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)CC1=CCCCC1	300844118	DORUSVSQBQSVOM-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1ccc(Cl)s1	300886374	JLOCAFBCWPTEMM-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CCCNCC/C=C(/C)CCCC(C)(C)C	300901492	QXAIJLRYDIRANE-UVTDQMKNSA-N	225.420	4.539	0	10	BJAE	
Cc1ccc(-c2csc(C(C)(C)C)n2)c(C)c1	302475253	GQMJQHDMMRQQSA-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
CC(C)C[C@@H](C)COc1cc(F)ccc1Cl	304247483	PUCFFMHZXFOYDQ-SNVBAGLBSA-N	244.737	4.540	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)[C@H]1CCCC[C@H]1CC	308034250	RLPVMODUTVKTBX-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)c1cc(C)ccc1C	308091947	UJWZCZBYZVPJNI-WBVHZDCISA-N	247.426	4.766	0	10	BJAE	
CCCCCC[C@@H](NCC)c1sccc1F	309221828	GWZBPXXQMHIJQL-GFCCVEGCSA-N	243.391	4.508	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CCC[C@@H](C)C1)C(C)(C)C	310110042	FCWCWWOARKYCAH-RDBSUJKOSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@](N)(CC)CC1CCC(C)(C)CC1	310546398	VBQOJGWIXWANSE-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
C[C@H](Nc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	314709399	SPKBYKCBRWUJJB-ASHKBJFXSA-N	249.785	4.577	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC(C)C)CCC[C@H](C)C1	317706174	HQEWEJSYEQJNTF-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@H](C)[C@@H](C)CC	319105800	FWPLFTPRYOLCOY-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)C2(C)CCCCC2)C1	379996807	WHJPDSKKOANSNP-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H]1CCC[C@H](C)C1	383557751	RMWTUYSQFVZQBG-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](CC1CCC(C)CC1)NCC	383657085	IKCANUWUNDNRJL-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@H]1CCCC[C@@H]1C	384513208	UQFNFDAPYZYDTA-YSVLISHTSA-N	246.394	4.670	0	10	BJAE	
CCc1ccc(N[C@H](CC)C2CCCC2)cc1C	387510799	FNZARQKJVUQLQL-QGZVFWFLSA-N	245.410	4.938	0	10	BJAE	
CCC(CC)(CC)CNC/C=C/c1ccccc1	391133955	ORNYITDEMQUASB-JLHYYAGUSA-N	245.410	4.506	0	10	BJAE	
CCCN[C@H](c1ccccc1C(C)C)C(C)(C)C	394137457	ICJWBPLXWRKPIH-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CCC(CC)(CC)CNc1cc(F)ccc1C	395127818	PJKQJNSSZIPTBX-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
C[C@@H](COc1ccc(Cl)cc1)c1ccccc1	395168489	QDBVEFOZOKMZQO-LBPRGKRZSA-N	246.737	4.523	0	10	BJAE	
CC[C@@](O)(CC1CCC(C)CC1)C1CCCC1	395689895	SXXLUNRUCRMTJZ-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](Nc1cc(C)cc(C)c1)[C@@H]1CC1(C)C	397601799	MBXJRPMJGXFLCH-HOTGVXAUSA-N	245.410	4.930	0	10	BJAE	
CN[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)CC1=CCCC1	400384980	JPVBAAYFKVVWFP-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC(C)(C)C(C)(C)C	401967549	WDZIPTUGIGZOAI-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CCCC(F)F)CNCC	688744507	AYBQTBAOGUVZJR-CQSZACIVSA-N	249.389	4.618	0	10	BJAE	
CC(C)(C)C1CCC(N)(C[C@H]2CC=CCC2)CC1	690291691	GCKWNKBDNNXYNL-UQPPLGOBSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1N[C@H]1CCC12CCCCC2	693800985	BOLJAMYVLXPHQV-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)CC(C)(C)CC	696162690	BDKRLZIANLKVMM-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCC(C)(C)CC)C1	696806881	OVJITTKXEWVTMI-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C1(C(C)C)CC1	697558963	OPXOAZYWPXCSBC-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1CC[C@@H]2C[C@H]2C1	697814135	DUWCHCQZYSDJAC-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)cc(NC2C(C)(C)CCC2(C)C)c1	699619649	DGAVSWFDJDLMEC-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CC1(C)CCC(C)(C)C1N[C@@H]1CC12CCCCC2	703881765	QBEGTQZOFAAGDZ-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@H]1C[C@H]2CC[C@H]1C2	704907112	ZGOSDTQJJXODHR-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)CC(C)(C)C	704984477	REEHICVACKZNSA-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CCC1CCC([C@](C)(N)[C@@]23CCCC[C@@H]2C3)CC1	709270830	BSCPIJYQQGXOKC-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)C12CCC(CC1)C2)CC(C)(C)C	710885432	GOCNKSHQROLWDI-VEAWUBTESA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@H](O)[C@H]1CCCC[C@H]1C)C(C)(C)C	711187824	CBJXENOJDHRTEX-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)C[C@H](N)[C@@H]1CCCCC1(C)C	713217905	SDYMARHYWYLJMN-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CC[C@@H](C)c2ccccc21	713245194	SQESHXPICLPWFJ-CXAGYDPISA-N	245.410	4.564	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)c1cscc1C	713709301	IMMBIVXINDEKHG-IDTUSYRASA-N	249.423	4.620	0	10	BJAE	
C=C/C=C\CC[C@]1(CNCCC)CC[C@@H](CC)C1	713715901	FITZUOURYDYFHX-ZMJQMOPZSA-N	249.442	4.705	0	10	BJAE	
C/C=C/CCc1cccc(Cl)c1Cl	714544853	HWTLLVLICGNAMQ-NSCUHMNNSA-N	215.123	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CCC(C)=C(C)C)C1	718697881	FDZRSOQYIWAGLA-OAGGEKHMSA-N	238.415	4.700	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@H](C)C(C)(C)C	718709429	LBMHFDMWLJGIOT-ZDUSSCGKSA-N	224.388	4.764	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)C[C@@H](C)c2ccccc21	718751390	ZIDDFWBTYRIYBJ-RHSMWYFYSA-N	244.378	4.518	0	10	BJAE	
CCCCCN[C@H](CC)CC1CCCCC1	720951890	AXVQOQFIEUQBAX-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CNc1ccc(-c2c(C)ccc3ccccc23)cc1	723902449	VSRCHGYAQSBLMD-UHFFFAOYSA-N	247.341	4.857	0	10	BJAE	
CCCC[C@H](N[C@@H](C)CC(C)(C)C)C1CCC1	1205702318	CHMJMASOFVIKRE-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
Cc1sccc1-c1ccc(OC(C)C)cc1	1240500085	IWWBYBTTZDTFCW-UHFFFAOYSA-N	232.348	4.511	0	10	BJAE	
CC(C)(C)C1=CCN(CCC2=CCCCC2)CC1	1459891335	GGMIFSMMVUTQLJ-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
CC(C)C[C@@H](C)Sc1cccc(Cl)c1	1651791337	HXZLZJMYTYCRDZ-SNVBAGLBSA-N	228.788	4.867	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC[C@@H]1CCC[C@H](C)C1	1655042294	HTATZQNHCHFFNJ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(SC(C)(C)C)ccc1Cl	1775954625	WMFJAFZDQPIORF-UHFFFAOYSA-N	228.788	4.793	0	10	BJAE	
CCC(C)=CCc1cc2cccc(Cl)c2o1	1900833508	RHTAZJQIRHGKNC-UHFFFAOYSA-N	234.726	4.985	0	10	BJAE	
CCC(=O)[C@@H](C)CC=C(C)CCCC(C)C	1900866652	LSFWJHONTJAUMS-AWEZNQCLSA-N	224.388	4.764	0	10	BJAE	
CCCCCCc1cccc(OC(C)C)c1	1901883059	OHHTYDDLRQBQDO-UHFFFAOYSA-N	220.356	4.597	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CC)CCC(C)C	1905367380	WODJTZZFZMUCIC-GJZGRUSLSA-N	227.436	4.747	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1C[C@@H]2CCCCCC[C@@H]21	1906542600	IBPFTORXXUTISN-HRCADAONSA-N	231.383	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C[C@@H]2C[C@H]2C)CC1	1909711936	FIZBJNXLHWVIRI-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCNCC(=C[C@]1(C)CC1(C)C)C1CCCCC1	1911864082	MMECTFOXGCMWSM-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC=CC[C@H](C)c1cc(Cl)ccc1OCC	1912136541	ASNMLDRTBAJRAJ-NSHDSACASA-N	238.758	4.808	0	10	BJAE	
C[C@H]1CCC[C@H]1CC1(CN)CC2(CCCCC2)C1	1912584784	LECJIPVAORVDHU-GJZGRUSLSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H](CCNC2CC3(CCCC3)C2)C1	1912729221	HRDLOXCPBJXQBS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@@](C)(O)CCCC2CC2)cc1	1920020543	IGIMWLJUJYUZSH-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCCCC[C@](C)(N)C12CC3CC(CC(C3)C1)C2	1920489971	OODHNXFBMXZJLV-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
COc1ccc(CC[C@@H]2C=CCCCC2)cc1F	1925843043	HGTDRWFBVCVMCP-CYBMUJFWSA-N	248.341	4.513	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@H]1C=CCCCC1	1925915482	PSYDRELJBHOOPE-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@H]1C[C@H]1CC	1925949882	VPQVOMUDZMDAPT-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1ccc(Cl)s1	1933714612	SICAHEBVCLONLH-NSHDSACASA-N	245.819	4.618	0	10	BJAE	
CCCC(CCC)[C@H](O)CCCC1(C)CC1	1935941239	TWPMBOYRXMTJGC-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC1(C)CCCCC1	1940380884	UMUPYAKFKZZNKH-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC1(C)CCCCC1	1940383858	WFWMHMPURGKZOO-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1CC1(C)C)[C@@H](C)CC	1940873536	RFWFSBWWVFDWFT-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1cccc2ccsc12	1941268216	CDDYIYUWZOQAMO-JSGCOSHPSA-N	247.407	4.583	0	10	BJAE	
CC[C@@H]1CC[C@H](O)[C@H](CCCCCC2CC2)C1	1941580531	AZCCPLQTLONRJT-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1C[C@H]2CCCC[C@H]21	1941718162	SFDXYEGQEXCWOS-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCC(=O)C1C[C@H](C)C[C@@H](C)C1	1943043698	PLQVXYLGZRBPTK-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@H]1CCC[C@H]1C	1944889542	BDGPZGQQFRBNLE-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCCCC1(F)F	1947284491	UGNIDLJTUZCRSH-ZDUSSCGKSA-N	247.373	4.513	0	10	BJAE	
CCC[C@H](C)N[C@@H]1CCCCCCCC1(F)F	1947372184	RCZMYHNPIXZDIR-QWHCGFSZSA-N	247.373	4.513	0	10	BJAE	
C[C@H]1CCC[C@H]1NC1CCCCCCCCC1	1947879074	AVXJFAQEZWQSHC-GOEBONIOSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H](CC(=O)CCC(F)(F)CC)C(C)(C)C	1947989979	DUIKVBJDCIETND-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
CCCN[C@@H](CC1=CCCCCC1)CC(C)C	1948838535	QVZJXPUYLORLRT-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CCC[C@H]1CC1(C)C	1949050241	ASYFWEIPSNVKLJ-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
Oc1ccc(-c2ccc(C3CCCC3)cc2)cc1	1962723651	RGTMILHMCSLPQD-UHFFFAOYSA-N	238.330	4.717	0	10	BJAE	
CC[C@@H](NC[C@H]1CCC(C)(C)C1)c1ccccc1	1963312944	CHZNPOGKRVBWQJ-GOEBONIOSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CCCC[C@H]1CN[C@H]1CCCC12CCC2	1966249401	JHLBQUZADFRUCV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CCN[C@H]2CCC[C@@H]2C2CC2)CC1	1967852976	ORGVRIQWJZKTQC-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)CN1c2ccccc2C[C@@H]1C	1968232585	KGUAWOQILUEHHG-LSDHHAIUSA-N	245.410	4.654	0	10	BJAE	
Cc1ccccc1NCC[C@@H]1CCC[C@@H](C)C1	1968253227	ZBUOMRMAPBWSEX-HIFRSBDPSA-N	231.383	4.623	0	10	BJAE	
COc1cccc(N[C@@H](C)CCC(C)(C)C)c1C	1968826381	PLGSALXFOWLXLG-LBPRGKRZSA-N	249.398	4.630	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCC2CC3(CCC3)C2)C1	1973745269	UXZGWRMVSXGLMB-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@H](CCCC(C)(C)C)NC	1976010527	LNUUFDBXVMCADY-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCC(=O)CCC(C)(C)C1CC1	1978436950	ZABBHFNWWUTXMC-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
C[C@@H](NC1CCCCCCCC1)C(C)(C)C	1980337265	SBCCGRLTGVFHDF-CYBMUJFWSA-N	225.420	4.514	0	10	BJAE	
FC(F)C(F)(F)CCC1CC(=C2CCC2)C1	1985530384	GVNZMEWIRFJBQX-UHFFFAOYSA-N	236.252	4.558	0	10	BJAE	
CCC(C)(C)CCC(=O)C1(CC(C)C)CC1	1988523333	KOTSBEWZVHSNRV-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
S=c1cc[nH]cc1-c1cc2ccccc2s1	1989479402	QVGWGRWCZBTBIL-UHFFFAOYSA-N	243.356	4.626	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H](C)CCC(C)C	1990089337	FOQNJQCLGKGDCK-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
CCCCC[C@](N)(CC)C1=CCCCCC1	1990094312	UVNZDIGUKLJLSJ-OAHLLOKOSA-N	223.404	4.565	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCC=C(C)C	1990124977	GDUWSAVRMHQORB-HNNXBMFYSA-N	225.420	4.633	0	10	BJAE	
CCCCCc1nc(C2CCCCC2)cs1	1995495998	FRHGRTVNPRGLET-UHFFFAOYSA-N	237.412	4.924	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(O)CCCC2(CCC2)C1	1997047826	WYBQDQMCPAHIOU-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CCCC(C)C)CC1	1997109793	RQKSFDDIUVUZGV-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@]1(C)CC=CCC1	1997547069	SRXKCQHGAXRZDL-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)NC1CC(C)(C)C(C)(C)C1	1997767861	KYBXBIAGCMGLJO-UHFFFAOYSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H](C)CCNC1CC(C)(C)C(C)(C)C1	1997768309	VCBBGXOIWRNPKV-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)CC1CC(C(C)(C)C)C1	1998234914	OLTIYDQBJBJPDP-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)C[C@@H]1CCC=CCCC1	1999980388	BSCGPOJTKNMHKB-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CCCC(C)(C)C1	2000143111	KLOSLKLLOLKYGD-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C1(CCC)CCC1	2000387461	KWPRHWNUCHCYOB-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1	2000834488	UJENLMGJZFQZLQ-ITGUQSILSA-N	249.785	4.639	0	10	BJAE	
CCN(C[C@@H](C)C(C)(C)C)c1ccc(C)cc1	2000906549	RIRYZVHNJDJAJZ-CQSZACIVSA-N	233.399	4.504	0	10	BJAE	
CCC[C@H](O)CCC[C@@]1(C)CCCCC1(F)F	2002577455	UPQLJZGDMGMBJH-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
C[C@@H](C1CCCCC1)N(C)C1CCCCCC1	2002931190	BYBCRRVAHULLJG-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H]1CCCCCCCC1=O	2003074025	KIVOTILBCLZZDQ-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
C/C=C/CCC[C@@]1(O)CCCC[C@H]1C(C)(C)C	2009592875	LZAFXJYBEKGZAM-HMRWBYCRSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1CC(CCC)C1	2009617785	WJGFGKCUEDJYQT-ZIULGFOLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(O)[C@H](C)CC(C)C)CC1	2010714701	ADKJEDDPZOWOKH-IIAWOOMASA-N	238.415	4.556	0	10	BJAE	
CC=CCCC[C@H]1C[C@H](NCC)CC(C)(C)C1	2012065370	WQLPXEYLBPKJAU-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](CCC(C)(C)C)(CNC1CC1)C(C)C	2012427283	SNMIZXTVRPBQRT-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC12CCC(CC1)C2	2012806992	ZABUOZLWOYRMKR-FUJMWEONSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C(C)C)C1CCC1	2013268109	WYIMGTDMMZDRSB-JKSUJKDBSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](CC(F)F)C[C@@](N)(CC)CCC(C)C	2013296560	LWOWSZXHQMHOIX-TZMCWYRMSA-N	249.389	4.602	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCC1(C)C)C1CCCCC1	2014850131	SRQDVGCFXCSPKY-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CSc1cccc(N[C@H](C)[C@H]2CCC2(C)C)c1	2014901136	MRTHMGXFOTYRGQ-BXUZGUMPSA-N	249.423	4.645	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2015225889	CDROFVVFOAGFHE-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC(C(C)C)C(C)C	2015276825	BECXPVQAQNIYKG-GOEBONIOSA-N	241.463	4.848	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)[C@H]1CCCC(C)(C)CC1	2015385675	GVUQKHXHEWYBGM-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](C[C@@H](C)C(C)C)C1	2015410278	UQDCSYWDMLLZGP-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CCC1=CCCCC1	2016118265	XBYOTBZGCIQFGL-MRXNPFEDSA-N	235.415	4.731	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CC[C@H]1C1CCC1	2017043456	PPPJHSSPLAVJJC-GXTWGEPZSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H](C)CC1)[C@H](C)CC	2017723538	UKWJNJIYXRECEU-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@H]1CC[C@H](CC)CC1	2017728057	HCSKEOVIBFRLFK-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC[C@H](C)N2)CC1	2017735516	FYSATZDPVDZOMN-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1[C@H](C)CC[C@@H](C)[C@H]1C	2018074283	HMTWFMPYWLTIIB-DGXTUMSLSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H]1CCCCN1CCCCCC(C)C	2019342518	NZDZEXNECUWZBZ-INIZCTEOSA-N	239.447	4.857	0	10	BJAE	
CCCC[C@H](N)CC[C@@H]1C[C@@H]1C1CCCCC1	2022502189	NSFPUMJOUMRGBH-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2CCCC(C)(C)C2)CC1=O	2024091436	IOAMDZQFQPCNRJ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H]1CC(C)(C)CC[C@@H]1NCCC	2024123855	NFBWWCUCAQRTBE-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)Cc1csc([C@@H]2C[C@H]3CCCC[C@H]32)n1	2026523891	DHVWQHZQDPYQIV-MRVWCRGKSA-N	249.423	4.635	0	10	BJAE	
CC1(Cc2csc(CC3CCCCC3)n2)CC1	2026538900	WRDAYSXUSJTZKX-UHFFFAOYSA-N	249.423	4.609	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H](C)[C@H]2C(C)C)c1C	2035409536	MKLFXHFIMHNEQE-KBRIMQKVSA-N	245.410	4.786	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C[C@@H]2CC=CCC2)C1	2037167577	YBKVPZCDNXKSAO-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CC1(CCC[C@H](N)c2ccccc2C2CC2)CC1	2037177874	GZXDERHWPYPOHA-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)([C@H]2CCC3(CCCC3)C2)C1	2037596137	YCBBOTZSGRSCKV-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1CC2(CCC2)C1)CC1(C)CCCC1	2037975034	SHBGKAYNCYPISH-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@H]1CC12CCCCC2	2039010105	VXKMTLPYPCIORT-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1	2041375735	JWKURUZEJYADGG-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@]1(C)CC=CCC1	2042016627	MIIVWLBFNBIZNX-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CCCN[C@H](C1CC=CC1)[C@H]1CCC[C@H](CC)C1	2042025061	RMWSYJSTHAZMQR-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)CNC1C[C@H]2CC=CC[C@@H]2C1	2042346550	AZBPKJBZOJUHCN-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(C(=O)CCC2CCC2)cc1CC	2042746242	CPDDDWBWWNTVFQ-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CCC=CCCC2)CC1=O	2045309743	JHYJGFVALVLCIK-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)C[C@H]1CCC=CCCC1	2045310323	NIPFEDKGMUMXNK-YYIAUSFCSA-N	249.442	4.667	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@H]1CCC=CCCC1	2045317972	QOQFDJQXCPGKCU-GJZGRUSLSA-N	248.410	4.908	0	10	BJAE	
C1CCC[C@@H]2[C@@H](CC1)C[C@H]2NCCCC1CCC1	2047446701	MAOBOEISZVHJTO-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(CC(=O)C[C@@H]2CCC23CCC3)CC1	2047936348	PKFPLZQVVIVDBL-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@@H]1CCCC2(CC2)C1	2049855899	MZZCOMFAVPRSAL-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC[C@H]1CC1(C)C)[C@@]1(C)C=CCC1	2050007465	PZFLNQBKUVKLCQ-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@@H]1CCCCC12CC2	2053417715	FTZMXYBGDMQVLY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CN([C@H]1CCCC(C)(C)C1)[C@@H]1CCCCC12CC2	2053432759	YUPGUXOUHQEZCG-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CC(C)(C)CC[C@@H]2C)CCC1	2055547206	RVGBPCOTJGXYRR-IMJJTQAJSA-N	249.442	4.680	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2C=C(C)CCC2)CC1	2055548695	DEXLTDKACSWTKQ-ZACQAIPSSA-N	249.442	4.824	0	10	BJAE	
CC1(C)C[C@@H]1CCCC1(CN)CCC2(CC1)CC2	2056526783	PUMLUCKOCRHJFH-AWEZNQCLSA-N	249.442	4.502	0	10	BJAE	
CN[C@@H](CC=C1CCCCC1)CC1CCCCC1	2056882662	KXOSSACHZMWZMQ-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H](C[C@@H]1CCC2(CCC2)NC1)C1CCCCC1	2057367105	OTUHTAKCJXLSFR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@@H]1CC12CCCCC2	2059254069	WWEJCQQPEVLMBF-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCC[C@H]3CC[C@@H]32)C1	2059393271	CRXPMWOCMLLYBF-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
C=C=CCC[C@@]1(CNC(C)(C)C)CCC[C@@H](C)C1	2061565129	BQBXIFRLEOMLIP-NVXWUHKLSA-N	249.442	4.692	0	10	BJAE	
C[C@@]1(C(=O)CC2CC(=C3CCC3)C2)CC=CCC1	2061701161	HKEVMVUMZOTVAJ-QGZVFWFLSA-N	244.378	4.583	0	10	BJAE	
CN[C@H](CC1CC(=C2CC2)C1)[C@@H](C)CC(C)(C)C	2061727959	DMIFFRZHZDJOEZ-BLLLJJGKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC2(CC3CCC3)CC2)CC1	2069580118	HHIIDRAVTMOHMC-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)NCC1(C[C@@]23CCC[C@H]2C3)CCCCC1	2070961803	FSHWWDCHJOMBBX-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(CC(=O)C2(CC3CCC3)CC2)CCC1	2071914838	HTMCSQOPZRORGF-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1(C(=O)CC2CC(C3CC3)C2)CCC1	2071930617	OPXOTNWYJASHBO-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(C[C@H]1CC[C@H](C)CC1)C1CC2(CCC2)C1	2072801554	OWTOQKVXIPFGIZ-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CN(CCC1=CCCCC1)[C@H]1CCCC12CCC2	2075146872	RPICUIROUBWECB-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CCN(C1CCCCCC1)[C@H](C)c1ccccc1	2076548450	GHVMDXWUCXIAKP-OAHLLOKOSA-N	245.410	4.792	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@H]1C1CCC1)C1CCCCC1	2079441682	XKOGHSLIUPHDGA-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCC1CC1)C[C@@H]1C[C@H]1C1CCCCC1	2079668426	AFQVHFAMVVIUBJ-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCCC2(CC2)C1	2079864873	NHRGAOZHFFLEFE-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C[C@H]2C=CCCC2)cc(C)c1Cl	2210145772	ZFRVWZBRXCEZNR-ZDUSSCGKSA-N	234.770	4.856	0	10	BJAE	
FC1(F)CC[C@H](CC=Cc2ccccc2)C1	2210662337	MTJXMLARRUJMSQ-ZDUSSCGKSA-N	222.278	4.525	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)CC1(C)CC(C)(C)C1	2215385146	NBCDFKYGTIUCMW-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)CC1(C)CC(C)(C)C1	2215439758	KLOBJAVAELDPEU-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@](C)(O)CC1(C)CC2(CCC2)C1	2215468292	YRUYXUHOFXLUQS-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCC[C@H]2C[C@@H]2C)CC1	2215820053	AJWOATZWBSJTRU-DZKIICNBSA-N	234.383	4.518	0	10	BJAE	
CC[C@](C)(O)CC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2216765105	KVSRINGMZMHUSH-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C1CC1)[C@@H](N)CCCCCCCC1CC1	2216859587	JCNAJLXDJWBRRZ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@]1(CNC2CCC2)CCC[C@H](C)CC1	2217164909	ZXFBYXQZQMHNCQ-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
N[C@@H](CC[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218363224	CTLROLVIEFFMSG-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)C1C[C@@H]2CC[C@H]2C1	2218734072	AVUUMIGTDPMFAB-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C/C=C/c1ccccc1	2219065152	FYXVTOPTOAGSPN-FWVUHSSSSA-N	244.378	4.587	0	10	BJAE	
NC[C@H]1CCCC2(CCC2)[C@@H]1CCCCC1CC1	2220046554	OFCMEIAFHFKYQU-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
CC1=CC[C@](C)(N[C@@H]2CCC23CCCCC3)CC1	2221596076	ABGANMICVMFXEF-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)C[C@]1(C)CC=CCC1	2221602549	QZXPFSIAKFALJN-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CC(C)(C)C2)C=CCCC1	2223600115	LJTBZRFYCIRIBB-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
Cc1sc(C)c(-c2cc(=S)c(C)c[nH]2)c1C	2243614809	MPPMAZXGWRKSDE-UHFFFAOYSA-N	249.404	4.706	0	10	BJAE	
CC[C@@H](N)CCCC[C@@H](C)CCCC(C)C	2244868765	SIWQPRVNHGCXHM-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)CC1(C)CC(C)C1	2246591954	VHBSFJDRZUQCPV-YHNBSYBMSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@](C)(N)CCC2CC2)C1	2246727476	NHQGRLVSXORQOR-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@H](O)CC[C@@H]1CCCC12CC2	2247618557	GCXRKVXLVLUHJT-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@@H]1CCCC12CC2	2247665908	QLDTVSMBWUIWOO-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CCC(C(C)C)C(C)C	2250353580	WECDDOHVDGKLEE-ZBFHGGJFSA-N	241.463	4.848	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@H](N)CC[C@H](C)CCCC(C)C	2250479171	QSDYSEWJZDRCQT-LVQVYYBASA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@]12CCCC[C@H]1CC2	2251125026	KDQFCCAJALLKID-BBRMVZONSA-N	236.399	4.742	0	10	BJAE	
CCCC(O)(CCC)C[C@]12CCCC[C@@H]1CC2	2251213697	ZRRQUWCBNVZEEF-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(O)CC(C)(C)CCC1(C)C	2251673983	LACNBPWYPKPIPN-HEHGZKQESA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@@H](N)CC[C@@H]1CCCCC12CC2	2253854763	NHVPDVJPNFZRCW-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(CC[C@H]2CCCCC23CC3)CCCCCN1	2253883014	FIJOXEJKFBLRGA-CVEARBPZSA-N	249.442	4.659	0	10	BJAE	
CC(=CC[C@H]1CCC[C@H](C)C1)[C@H]1CC[C@@H](N)CC1	2254000053	BBDYLWRAFONTJC-PQEBFOHHSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNc1ccc(C2CC2)cc1	2254506895	XKWAGBFPBVXUMI-CZUORRHYSA-N	243.394	4.802	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@@H]1CCC12CCC2	2254816771	IUAPXMWOYQHZJF-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1C[C@H]1CCC1(C)C	2255028338	OHABVZQELHNNJP-UMVBOHGHSA-N	243.394	4.658	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@@H]1CCCC12CC2	2255232162	FBNXIOPVUNRYKB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)CC[C@@H]1CCCC12CC2	2255270569	YSNSRUPOQFMIEF-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)CCC=CCCC1	2257249868	WELWCJYFYOCUMC-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1cccc(C(C)(C)C)c1	2257906672	WSGLIBUVDBTFAF-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
CCC[C@H](CC)[C@H](N)c1cc2cc(C)ccc2o1	2259463124	KYWYZVJTFXWUAD-LRDDRELGSA-N	245.366	4.567	0	10	BJAE	
CCCOc1ccccc1NC[C@H](CC)CCC	2259465476	WFVSEFBDKHTUTD-CQSZACIVSA-N	249.398	4.714	0	10	BJAE	
C[C@]1(C(=O)C[C@]23CCCC[C@@H]2CC3)C=CCCC1	2260627294	RNIXCSGUEPGVJR-HYVNUMGLSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@@]23CCC[C@@H]2CC3)C1	2260657600	JRHCYZLIXMEJNO-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@@](N)(CC2CC(CC(C)(C)C)C2)CC1	2261295766	MRWONWGFNKSJOF-DQPZFDDXSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)CC1CC(C=Cc2ccccc2N)C1	2261300800	DUXRWAIWMQMWCT-UHFFFAOYSA-N	243.394	4.744	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@@]12CCC[C@@H]1CC2	2298727278	UEAGEJMJYBJEOO-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@H](C)CC2CC2)CC1	2298861852	OYKNNKXEUKTHPX-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](NC)[C@H](C)CC(C)(C)C	2300677649	BTJYVMAWMAOZIP-UKRRQHHQSA-N	241.463	4.863	0	10	BJAE	
CCN(CC=C(C)CCCC(C)C)C(C)(C)C	2300886865	BKFWAIYVQOSMSL-UHFFFAOYSA-N	239.447	4.879	0	10	BJAE	
CC(=CCC1(O)[C@H](C)C[C@H]1C)CCCC(C)C	2300974679	MWGXHQJYBCTQJL-HUUCEWRRSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@H](CC)N(C)CC1CCCCCC1	2301145964	UMUMZLHNWTXZTH-MRXNPFEDSA-N	239.447	4.857	0	10	BJAE	
CC(C)CCCCCN(C)[C@H](C)[C@H](C)C(C)C	2301703957	JFIJSZBYGJAXQT-HZPDHXFCSA-N	241.463	4.815	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@@H](C)[C@H](C)C(C)C	2301843000	GECRFQNXQGNBRO-KFWWJZLASA-N	241.463	4.719	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CC[C@H](C)C1	2301912607	JVCMCNWYTKNVJW-WCQYABFASA-N	235.346	4.550	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H]1CCC(C)(C)C1	2302676262	SXEYHFKFGKKUAH-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CN[C@@H](CCCC(C)C)C[C@H]1CCC(C)(C)C1	2302712352	FIWBDUHGKFEFAZ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)CC[C@H]2CC2(C)C)C1	2302879647	CGBAQSRZRNDMOZ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](c1nc(C2CC3(CC3)C2)cs1)C(C)C	2304393333	FVCRSCUFCNSNMS-GFCCVEGCSA-N	249.423	4.950	0	10	BJAE	
C[C@@H]1CC[C@@H](c2nc(C3CC4(CC4)C3)cs2)C1	2304404587	BRQLBOVDBIHEEJ-GHMZBOCLSA-N	247.407	4.704	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)CC(C)(C)C)c1	2307500888	JGNMAJABSJOLNI-HNNXBMFYSA-N	234.383	4.588	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)CCC(C)C)c1	2307501793	UQIPLRNYJJRYST-INIZCTEOSA-N	234.383	4.588	0	10	BJAE	
Cc1cccc(-c2nc([C@H]3C[C@@H]3C)cs2)c1C	2307693398	KSWOTDIHFDXVCM-GWCFXTLKSA-N	243.375	4.550	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1CCC(C)(C)CC1	2307842276	IJULLAOCBHHXRD-HIFRSBDPSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CC(C)=C[C@@H](C)C1	2307844540	OBXZDYHMYCLSCT-BVUBDWEXSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@](CC)(C[C@H](CC)CCC)C(=O)O	2307894587	MZCQXJWDDVMFQS-UKRRQHHQSA-N	242.403	4.874	0	10	BJAE	
CCC[C@H](CC)C[C@H](CNC1CCC1)C(C)C	2307925543	UHAGRGPFUYKEQF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CC1)[C@@]1(N)CCCC2(CCCCC2)C1	2313659525	MTHQFRDCARKNCQ-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCC(C)=CCc1c2c(cc3c1CCC3)CCC2	2316570943	OJIFQTHFKZYOPE-UHFFFAOYSA-N	240.390	4.563	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)CCC2=CCCCC2)C1	2317965608	ZMHIFHJOWHAHFR-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)CCC1=CCCCC1	2317981190	XILBWFYVZAVNBU-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1C[C@H]1CCN(C)CCCC1=CCCCC1	2318580473	MJCYHHZOKOWEBW-IAGOWNOFSA-N	249.442	4.635	0	10	BJAE	
N[C@H](CC[C@@H]1CC[C@H]1C1CC1)C1CCCCCC1	2319694379	XOHPVBZGRNJQCC-BHYGNILZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC(C)=C(C)C1	2320237385	JPWVPGMQDWNDPD-ZACQAIPSSA-N	249.442	4.824	0	10	BJAE	
CCCCC1CC(N)(C[C@H]2CCC(C)=C(C)C2)C1	2320335506	WJTKIBKMABAJPZ-GTPINHCMSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H]1C[C@@H](C)Nc2ccccc21	2320381367	RRWADEYCQGRDNX-TUVASFSCSA-N	243.394	4.801	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)C1CC(C)C1	2320406313	MKCJJXCEIDLNGH-IWPLNJTISA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2c(C)cccc2C)CC1	2320411148	HZGYXGYTGXAMLY-INIZCTEOSA-N	243.394	4.852	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H](C)CC2CCCCC2)CC1	2320418226	AGXQAHIOKYDURE-WBVHZDCISA-N	249.442	4.824	0	10	BJAE	
CCC[C@@H](C)N[C@@H](C)c1ccc(C(C)C)cc1	20545016	ZUZRVTDJPRDRGP-KGLIPLIRSA-N	233.399	4.649	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cc(Cl)ccc2C)o1	20559387	OBRZINHSQQIOEN-LLVKDONJSA-N	249.741	4.723	0	10	BJAE	
CCCCC[C@H](C)Nc1cccc2c1CCCC2	21008872	BQEWXELNFLSRNH-AWEZNQCLSA-N	245.410	4.946	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)c1ccc(C)s1	35458853	XPYGKZPHWOKAFL-TZMCWYRMSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](C)N[C@@H](c1ccccc1)C(C)(C)C	37292274	XWQNJVQGSWPBMW-HOCLYGCPSA-N	247.426	4.942	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)C1CCCCC1	37318110	YDKALVQVROQCSU-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@H]1CC[C@@H]2CCCC[C@@H]2C1	70106064	ACRPJTIRDVMDGK-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC([C@@H](O)c2cccc(C)c2C)CC1	85077768	JEKHNIWLKWKTBZ-VMBOVVBDSA-N	246.394	4.553	0	10	BJAE	
CCC(CC)C1(N)CCC(C(C)(C)CC)CC1	94676203	QUCSRXRSIUURMC-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC/C=C\[C@H](C)Cc1ccc(CCC)cc1	107477441	GXZRNGUNBATWSC-QPBFKRLHSA-N	216.368	4.784	0	10	BJAE	
C/C=C\[C@@H](C)Cc1ccc(CCCC)cc1	107479070	BSOWFZVFACSGGL-BRLPQQTGSA-N	216.368	4.784	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H](CC)c1ccco1	109759730	CFBRISZQUFXTKX-KGLIPLIRSA-N	237.387	4.537	0	10	BJAE	
CCCCCC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	109996723	BKZMEICOPWJNTE-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(C)c(OC2C[C@H](C)C[C@@H](C)C2)c1	130393414	YYJLJPZCIWZPDW-CHWSQXEVSA-N	232.367	4.507	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C1CCCC1	130621389	NUNSAAMZTINKGF-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)Cc1cccc(Cl)c1Cl	143302341	JORAUWGFDHJIPF-UHFFFAOYSA-N	217.139	4.582	0	10	BJAE	
CCC[C@H](C)C[C@@H](CC1=CCCCC1)NCC	161342711	BTKNGWYHUIDHSP-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@H](C)C(C)(C)C	163336305	DKKWKXUEIPKLTO-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(C(O)(CC(C)C)CC(C)C)cc1C	165389680	NWWRPTWECQDECE-UHFFFAOYSA-N	248.410	4.583	0	10	BJAE	
C=CC1CCC([C@H]2CC[C@H](CCC)OC2)CC1	167574636	KOGGTTQFNUDWMT-CKUJCDMFSA-N	236.399	4.574	0	10	BJAE	
C[C@H]1NCCC12CCCCCCCCCCC2	203216815	LMUFLSSLKWIQNV-OAHLLOKOSA-N	237.431	4.659	0	10	BJAE	
CC(C)/C=C(\CNC(C)(C)C)C1CCCCC1	211495317	JBQSQONBDLAFPZ-RVDMUPIBSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCCC[C@H]2C(C)C)c1	214630385	JULOSVAOQPJLGH-JKSUJKDBSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)[C@@H]1CCC[C@@H](CC)C1	218701552	URIMAEKJXLQSJC-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(N[C@H]2CC[C@H](C)[C@@H](C)C2)cc1	220576986	OUCAYQOPJZTKOZ-ZQIUZPCESA-N	245.410	4.876	0	10	BJAE	
CCCC(CCC)[C@H](NC)c1ccsc1C	227891590	BACXJYXDTGXKLH-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
CCCCCC[C@@H](NCC)c1ccsc1C	227913709	ICFOGEDTZQLPSA-CQSZACIVSA-N	239.428	4.678	0	10	BJAE	
CC(C)CC(CC(C)C)NCCC1=CCCC1	228571803	YNLNXBBRCWINBC-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCC23CCCCC3)[C@@H]1C	230162450	KRYHZSBAELGHIQ-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CC(C)C1(CNC2CCC3(CCCC3)CC2)CC1	232548113	CBYQBMLOMVOHHT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](NCC)c1scc(C)c1Cl	233016015	SORPQIZLWHXHBA-JTQLQIEISA-N	245.819	4.551	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2cccc(F)c2C)C1	235404537	PWAOSWLQOALEGO-FZMZJTMJSA-N	247.357	4.538	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)CCC(C)C	300812834	FZNOIPVQPNJFHK-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)NCC1CCCCCCC1	300910603	XUGBHMBAANQIQO-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CCC2CCCCC2)C1	302286256	VYCWJUNWHCPQRL-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)ccc1C	306031962	QABDHBDCDPIEHF-IVMMDQJWSA-N	245.410	4.794	0	10	BJAE	
CCc1ccc2sc(Cl)c(SC)c2c1	306782812	QVGTUPZUWALXTJ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CSc1cc2ccsc2c(C)c1Cl	306867128	OXJWUIOTJQCRFX-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCc1cc(C)sc1C(=O)CCC(C)(C)C	309263326	BSSYNAWZWINXFA-UHFFFAOYSA-N	238.396	4.628	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1(CCC)CC1	309398121	GSYFEXLXZLIQHQ-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@H](C)CC(C)C	309989231	GRFYOBOFEWMFPI-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@H](C)C2)cc1C	310061523	SIKAENQLUMQLLR-SWLSCSKDSA-N	231.383	4.548	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)[C@H](C)CCC	310565845	XKSGIZOUNLJXRN-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)c1c(C)cccc1C	310990134	SIZMZLDQDZWEQP-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CC1(C)CCC(/C=C(/CN)C2CCCCC2)CC1	311048420	WQMIHKZAQQBRHU-VBKFSLOCSA-N	249.442	4.668	0	10	BJAE	
C1CCCC(CN[C@H]2CC3CCC2CC3)CCC1	311234436	VEMLOLZJXSDEGW-PREGVCBESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC23CCCCC3)cc1	313098818	GCDHEINWQCYMRZ-INIZCTEOSA-N	243.394	4.910	0	10	BJAE	
CCCC[C@@]1(CNCC(C)C)CCCC[C@@H]1C	318533265	QLXAMRUMTNERIW-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)c1ccc2ccccc2c1	319380156	JTXZAHZSHUUHNI-GDZNZVCISA-N	241.378	4.522	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Oc1cc(Cl)ccc1Cl	319606343	MSZYNSCZXUEHSR-RKDXNWHRSA-N	247.165	4.807	0	10	BJAE	
CCCN[C@H]([C@H](C)C(C)C)C(C)(C)C(C)(C)C	319802915	JNKSZXMEUQMJJU-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
Cc1ccccc1OCCCCCC(C)C	383255498	LBDFCMFXTJHYLB-UHFFFAOYSA-N	220.356	4.590	0	10	BJAE	
CCCc1ccccc1[C@H](O)CC1CCCCC1	384408943	DTXRKNYQLHWGOU-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CCCCCCC(=O)C[C@@H](C)c1ccccc1	384851745	FWRBPTHMBWTYGR-CQSZACIVSA-N	232.367	4.720	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CCC1CCCCC1	384871501	GJCZCIOBQZXZQJ-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNCC2CCCCCC2)C1	389485718	QWNLXEMFOQANMG-YOEHRIQHSA-N	249.442	4.539	0	10	BJAE	
CCCC(CCC)NCC(CC)(CC)CC	391224024	YEMWCLYMJFNBNM-UHFFFAOYSA-N	227.436	4.761	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](CC)C1CCCC1	395616373	GQCQWBYQXDPISY-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)C(C)(C)C1CCC1	401110603	KGLCUMVANSYSEW-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc2c(c1)CCCC2	404645374	NVLLHVXENYKXHQ-AWEZNQCLSA-N	245.410	4.946	0	10	BJAE	
N[C@H](CCCC1CC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	405755096	HEHWASGSPRGKGW-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H](C)CCC1CC1	691071959	FCFLYFFCWIVVCA-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC(C)(C)CC)C1	697258146	HIZCHSMKPOCJES-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc(C(C)C)cc1	697262359	VGYOJPXTTCGHMK-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
CN[C@H](CC1=CCCC1)[C@@]1(C)CC[C@@H](C)C1(C)C	699111015	UDTRXBDFZFICFE-FRFSOERESA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CCC[C@H]1C[C@H](C(C)(C)C)CCN1	699566277	UALMGSFDAPXFKD-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)Cc1cccc(C(=O)C2CC(C)(C)C2)c1	701496906	KSBRODDPVGYHCC-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@]1(C)C[C@@H]1C	704359281	MSZCWRWMPOLHQH-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](NCC[C@@H]2CC=CCC2)CC(C)(C)C1	708807832	LPIMJESSJKDGEP-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(N)[C@]23CCCC[C@H]2C3)C1	709270846	BTTVGYMMDFORHQ-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(O)C[C@H](C)C(C)(C)C	710741328	BRYOUSCOVJGOHW-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CC(=O)[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	711186224	BOUCLSGPFCXTQC-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(C)cc([C@](C)(N)CC(C)(C)C(C)C)c1	713184692	ZYQMHCCTBUPFMH-QGZVFWFLSA-N	247.426	4.550	0	10	BJAE	
O=C(CC1=CCCC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714501091	MVJLZVWKXLIEOB-HRCADAONSA-N	246.394	4.662	0	10	BJAE	
O=C(CC[C@@H]1C[C@H]1C1CC1)C1CCCCCCC1	714801935	DWACDXUTGKEXRZ-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCC[C@H]1CNC(C)C	718495587	PFXGMLNIIJUNCB-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCNC[C@@]1(C2CCCCC2)CCC=CCCC1	719088882	HMLHRNMREHCPSR-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H](C)C1CCC1	720986527	FYVYILIDTBUSPE-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@H]2CC2(C)C)cc1	722896826	NBWBABNWYUAUNW-TZMCWYRMSA-N	232.367	4.625	0	10	BJAE	
C=C/C=C/CCS[C@@H](C)c1ccc(OC)cc1	1458922741	QLXDJRLNCRABGW-GFUIURDCSA-N	248.391	4.622	0	10	BJAE	
Cc1ccccc1CS[C@@H](C)CC(C)C	1613181497	IFDINDWIEIBNSB-ZDUSSCGKSA-N	222.397	4.663	0	10	BJAE	
CCCCC[C@](N)(CC)CCC[C@@H]1C[C@@H]1C	1896918319	MWZZUQOZGQKIMX-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCC(C)=CCC[C@@H](O)c1ccccc1Cl	1900849824	QSSZIRLTEKTQPC-CQSZACIVSA-N	238.758	4.510	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CC(C)(C)C)NCC	1905433373	GOELULXTGLNNQQ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)CCC[C@@H]1C[C@H]1C	1908525627	GTHJVZYVRCKAEB-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCC[C@](O)(C[C@@]12CCCC[C@@H]1C2)C(C)(C)C	1909871123	DILWHPIANDJEFH-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC(C)=CCCNC(C)C	1911625340	PCORQDLORSXOCF-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCC=CC[C@@H](CC)c1ccccc1OC	1911863766	FSYBZBDWGGPICT-CYBMUJFWSA-N	218.340	4.545	0	10	BJAE	
C=CC=CCCC1(CNCCC)CCCCCC1	1911874099	VSAWQMJFNDQSDZ-UHFFFAOYSA-N	249.442	4.849	0	10	BJAE	
CCCCCC[C@](C)(O)CC1[C@@H]2CCCC[C@@H]12	1919996466	VAZMQROTQWVACN-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(O)c1ccc(C(C)C)cc1	1920042406	BUEXGYGBDYPEOB-PBHICJAKSA-N	248.410	4.844	0	10	BJAE	
CC(C)(C)c1ccc(OCC[C@@H]2CC2(C)C)cc1	1921468433	DUJVYSISYRUCQY-CQSZACIVSA-N	246.394	4.799	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@@H](C)CCC(C)C	1926189702	QZZUBBNFGIXSKX-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CC(C)c1cnc([C@H]2CCCC3(CC3)C2)s1	1936184559	UWKNLCLVUPJFDY-NSHDSACASA-N	235.396	4.704	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)CC2(C)CCCCC2)C1	1940411681	XZVGXBIGINCDNC-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC1(C)CCCCC1)C(C)(C)C	1940416046	PMYOZCCMJPZIDC-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](O)CC1(C)CCCC1	1941244197	UCNPNRCFDGIISH-GJZGRUSLSA-N	240.431	4.636	0	10	BJAE	
CSc1ccccc1NCCCCCC1CC1	1941573266	LQSHPGUEYJODRK-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC2CCC=CCC2)C1	1941792870	KHWCAZMHUCJLEE-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)CC(C)(C)NCC1CCC=CCC1	1941814478	DDJYGOOAPAUPRZ-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]([C@H](C)CCC)C1(C)CC(C)(C)C1	1941984869	ACPNJSWLPWJVEC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1ccccc1C1(C)CC1	1944596023	JVRJBQXJSQAAKH-STQMWFEESA-N	231.383	4.585	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCC[C@H]2C)C1	1944795764	WUQWTGYYIZBKBQ-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@H]1CCC(C)(C)C1	1945583096	PEOSCBXNNLKSFO-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CC([C@H](CCC(C)=C(C)C)NC)C1	1948406655	CYMQDQQWDBWPPQ-PCKAHOCUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@H]2CCCC[C@]2(C)C1	1948597437	XQPACONUCCFYLG-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CC(C)(C)C(C)C	1949006454	KNJJZHNPSDJQPY-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@H]1C[C@H](N)C1CCCCCCC1	1949059437	CSDBKENKPJQHMU-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC1CC1)Nc1c(C)cc(C)cc1C	1950098418	BEEBCBFROCZPCW-OAHLLOKOSA-N	231.383	4.602	0	10	BJAE	
CC=C[C@H](C)Cc1cc2c(cc1Cl)CCCC2	1951305622	RUNKQEJLSMKDEE-LBPRGKRZSA-N	248.797	4.974	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CC[C@@H](C(C)C)C1	1963153415	HNYSGFUMVDCUKB-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C1CCCC(CCN[C@@H]2C[C@@H]2C2CCCC2)CC1	1967828005	OOQKQLHZQLHONT-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CCNC2CC(C3CCC3)C2)CC1	1967848154	FKDXKBTZUHXSMU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1NC[C@H]1CCCC2(CC2)C1	1968350809	BKNPEMZFFCIPQY-HNNXBMFYSA-N	243.394	4.686	0	10	BJAE	
CCCCN(C1CCCCCC1)[C@@H](C)CC	1978898077	KEMONHZLIXLAGU-AWEZNQCLSA-N	225.420	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC=C(C)C)CC1	1980984921	YWKTXAZFNORRGE-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](NC)C1(C)CCCCCCC1	1981416990	WCPHECLSQOBSKB-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC=CCCCNCCCCCCC(C)C	1984615631	FGHFPZJCISEBBE-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CC[C@@](N)(C[C@@H](C)C1CCC1)C1CCCCC1	1996570749	QFETYKSVUAVWSN-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC1CCC([C@@](C)(N)CCCC(C)(C)C)CC1	1996594961	RCTJOXDGTWYKEN-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1ccc(C(C)C)cc1	1996611377	BPGIRVBDBWKQFL-OAHLLOKOSA-N	233.399	4.636	0	10	BJAE	
CC(C)CC[C@](C)(O)CC1CC(C(C)(C)C)C1	1998259495	TUAOWQMXQUOXLD-XUJLQICISA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1NC[C@@H](C)C[C@H]1C	1998568639	RPGMGOGJXYKACM-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](CCCC2(C)CC2)NC)CCC1	2000336811	WCMRLKFJXQUUPT-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H]([C@H](C)C(C)C)C1(C)CCCCCC1	2000371834	JQIHIZBUTFRLRR-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H]1CC1(C)C)C(CC)(CC)CC	2000376422	MSYOZRHNIINEGF-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCN(C[C@@H](CC)CC(F)F)[C@@H](C)CC	2000899671	DKUQABXMLYIXDN-STQMWFEESA-N	249.389	4.568	0	10	BJAE	
CCCCN(CC1CCC=CCC1)[C@@H](C)CC	2000907919	RZDRUESXWVFCRS-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CC(C)C[C@H](N)[C@@H]1CCCCC12CCCCC2	2001579046	RVFQUMLVVPQSDO-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC([C@H](C)[C@H](CCC)NC)CC1	2002921292	NHEPKWPPJJGXGB-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@H](C)NC1CCCCCCCC1	2003093471	UBPWHSNSLRZYLG-CQSZACIVSA-N	239.447	4.904	0	10	BJAE	
C[C@@H](CCC(F)F)NC1CCCCCCCC1	2003102113	WJRZAEKLXTYYCL-LBPRGKRZSA-N	247.373	4.513	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@@H]1CCCC2(CC2)C1	2003192538	FHNLLQRWUUNOBN-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)[C@@]1(C)C=CCCC1)CC(C)(C)C	2003333930	HZIVKKULRYQYDH-BBRMVZONSA-N	236.399	4.764	0	10	BJAE	
C[C@@H](Nc1ccc2sccc2c1)C1(C)CCC1	2004837833	UXFZWPHKBKTUMF-LLVKDONJSA-N	245.391	4.892	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@@H](C[C@@H](C)CC(C)(C)C)C1	2006629973	VAQBBKYRZYDNDK-QPSCCSFWSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCCC(C)C)[C@@H]1CC	2009248308	HOAJLULCMXKUPE-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC(O)(CCC)C1=CC[C@H](C(C)C)CC1	2010721937	RTXKEQHLDHEYJD-AWEZNQCLSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CC1=CC[C@@H](CC)CC1)C(C)C	2010767038	FEINOMXEGYQBMC-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](NC)C1=CCC(C)(C)CC1	2010770272	XKASYLCEHPGFGH-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@]1(O)CCCCCC12CC2)C(C)(C)C	2011278314	RVYNXEPOYFREBS-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCCNCCC[C@H]1C[C@H]1C	2011585295	ZHYLSOMLXSCHQY-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CC1(N)CCC2(CCCCCC2)CC1	2013210729	ZWHYMVZNFXBTDY-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](CC)CCC(C)C	2013271452	SGAGGNDBHKGPFK-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@H](CC(C(C)C)C(C)C)C(C)C	2015413188	SVOWIACSZZLZOW-HNNXBMFYSA-N	241.463	4.577	0	10	BJAE	
CCC[C@@H](NCCCCCCC(C)C)C(F)F	2015825968	ZFDUAJHSVCJGOM-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@H]1C=CCCCC1	2016114673	JMLVAECORIAGDF-JKSUJKDBSA-N	235.415	4.587	0	10	BJAE	
CCC[C@H](N[C@@H](C)C1CC=CC1)c1cccs1	2016325990	BMUWFPCJFQXQJB-JSGCOSHPSA-N	249.423	4.534	0	10	BJAE	
CCCC1CCC(CC(C)(C)CCNC)CC1	2017739238	RFDFKDWJNMIRGD-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H](C)C2CCC2)CC1	2017770108	HUBPSPUOUKOWEI-HSBZDZAISA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1CC[C@H](CC)CC1	2017770317	URILPONMKZEAHJ-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)N(C)CC1(C(C)(C)C)CCC1	2018187173	DIIOGDYZGXVLMZ-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](C)N(C)[C@H]1CCC2(CCCCC2)C1	2019305916	PKBXREYJTKTKIV-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CC(C)CCCCCN(C)CCC1CCCC1	2019342206	JSSFSIOJVZHCQA-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@H](C)C2CCC2)CC1	2019772184	YPBKKSHWGOJFNZ-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1[C@H](C(C)(CC)CC)CCCC1(C)C	2020363111	GPOOUEJHCYPHJF-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CN(CCCC)C1CCC1	2020635431	MFJLZHAEMBNKTH-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCN(C1CCCCCC1)[C@H]1CCCC1(C)C	2022052775	WXLZMYMQHUQSBU-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H](N)CC[C@@H]1C[C@@H]1C1CCCCCC1	2022499593	RGARSIRJDNJRIU-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](O)CC[C@H]1C[C@@H]1C1CCCCC1	2022527035	VYRXICYHICAZHM-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@H]1C[C@@H]1C(C)(C)C	2022561883	DSRAHGRRHTUEPZ-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C2(C)CCCC2)C1	2024100450	CPHGMHLFKOLDGW-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CC)[C@@H](C)C[C@H]1CCCC(C)(C)C1	2024101197	IVXFDKAOHRFPHZ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC1CC(F)(F)C1	2026080554	RRSMDFDANHJEKV-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC[C@H]2C)CCC=CCCC1	2032504773	DASKJMGZJNRPPU-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1N[C@@H](C)c1ccccc1C	2035418526	BCVKGLKAVGKFDX-ZOBUZTSGSA-N	245.410	4.614	0	10	BJAE	
CCCCC(=O)Cc1ccc(C2CCCC2)cc1	2036493554	GFRCOOFJWXIRAK-UHFFFAOYSA-N	244.378	4.646	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1NC1CC2(CCCC2)C1	2036538082	CKNNZBIXTTULAK-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc([C@@H](N)C[C@H]2CCC[C@H](C)C2)c1C	2037048817	SVQVBLKQANICBN-NUTKFTJISA-N	245.410	4.520	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@H]1CCC[C@@H]1C	2037191016	REALTGRGDBAKCV-MPTYRVRUSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H]1C[C@@H](C[C@@H]2C=CCCCC2)CCC1(C)C	2037855999	DNKYZLGFYHEFEI-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@]1(C)CC=CCC1	2042019833	RQBIHMHIGRMTEN-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H]([C@H]1CCC1(C)C)[C@]1(C)CC=CCC1	2042021997	NGNKIWONGDWQCZ-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCC3(CCC3)C2)CC1	2043609571	QRVWOLVVTPVQCZ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC1(CC(=O)[C@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048368991	CQSMCAIMGYUEES-MIFYACCESA-N	248.410	4.742	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)C[C@@H]1CCCC2(CC2)C1	2049851534	FJAYUZNICJNCGG-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CC1)[C@@]1(C)C=CCCC1	2050006162	LEVMKAVGZYAOPF-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@]1(C)C=CCCC1	2050008707	JSNAIGZFIFBVHQ-KRWDZBQOSA-N	242.362	4.739	0	10	BJAE	
CCN[C@H](C[C@@H](C)[C@@H](C)CC)c1ccc(C)cc1	2050431773	SMPUGGDIPPJNDZ-ZMSDIMECSA-N	247.426	4.718	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCCC1=CCCCC1	2050448570	DLXPLEGKTQDRIL-KRWDZBQOSA-N	243.394	4.666	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@H]2CCC[C@@H](C)C2)c1	2050456510	RFLLMJZDOPNMQH-HIFRSBDPSA-N	244.378	4.784	0	10	BJAE	
N[C@H](CCCCCCC1CC1)c1ccc(F)cc1	2050491288	DDXAXSHPSGEBKD-MRXNPFEDSA-N	249.373	4.576	0	10	BJAE	
CCN[C@@H](CCCC=C(C)C)c1cccc(F)c1	2050491793	IQXJSHDBCPWGFV-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CC[C@]1(C)CCCN(C[C@H]2CCC=CCCC2)C1	2051392834	KDLWVNGQBDIQDG-DLBZAZTESA-N	249.442	4.635	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@@H](C)c1ccccc1	2051403431	LMJLBDSENRGBLZ-WBVHZDCISA-N	245.410	4.515	0	10	BJAE	
C1CCCC(CN[C@@H]2CCCCC23CC3)CCC1	2053343028	SAFTWNWYJFWLQV-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC(NC[C@@H]2CCCCC23CC3)CC1	2053433480	GUKVTMHINAFQCO-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC=C[C@@H]1NCC(C)(C)C1CCCCC1	2055562613	DTZDUWJJDLQJCX-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
C[C@](N)(CC1CC(C2CCC2)C1)C1CCCCC1	2056641207	XCHIWCCURJELOQ-PGEKIEPBSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2CC(C3CC3)C2)CC1	2057833617	YPEYBXRHKJLACH-WHPGWMBPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@@H]1C[C@@H]1C=CCCC1	2059000606	SRJAISBSSRMEOJ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](N)c1ccc2ccccc2c1	2059206771	NKPPEDVOJRIZKB-KRWDZBQOSA-N	239.362	4.586	0	10	BJAE	
C/C=C/CCC[C@](O)(CC)c1ccc(CC)cc1	2059223499	NSSQFFPSHRMKDX-BBOMDTFKSA-N	246.394	4.593	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1C(C)=CCC[C@H]1C	2059246636	FSYJPYCUXOXRHM-QNONSRJCSA-N	249.442	4.703	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C2=CCC(C)(C)CC2)C1	2061086689	AFUYKVNHSOWCNK-BMFZPTHFSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)C(C)(C)C2CCC2)CC1	2061139854	ITMRQLYHXLBEMY-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C1=CC[C@H](CC)CC1	2061139872	IXXKYUZNPMQJIS-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@H]1CCCC[C@H]1CC	2061560342	FASCGVXAGGIGGR-IKGGRYGDSA-N	249.442	4.692	0	10	BJAE	
CCC1CCC(C(=O)CC[C@]23CCC[C@@H]2C3)CC1	2061604738	BHUDSAIGBAQXAJ-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@@]12CCC[C@H]1C2	2061618002	SFBFDZZASRTOCA-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@H](C(=O)C2CC(=C3CCC3)C2)CC[C@H]1C	2061731770	WRMAFMDHNBVPMA-MBNYWOFBSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CC1CC2(C1)CC(C)(C)C2	2063203795	JBBUBQIJVLTAJN-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@H]1CCCC(C)(C)CC1)C1CC2(CC2)C1	2064499180	ZQDJLTXIEAWGAI-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC23CCC(CC2)CC3)C1	2065263092	UDNFQWGYLNVUPK-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cnccc1C(C)C	2065993909	YIGSJJCWTHXCLP-CQSZACIVSA-N	248.414	4.832	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2ccc(C(C)(C)C)cc2)N1	2066375467	KTXSJZPGRDSUPW-HOTGVXAUSA-N	245.410	4.577	0	10	BJAE	
CCc1cc(N[C@@H](C)[C@@H]2CCC2(C)C)ccc1C	2068290755	ZFPJHMWGINBNKG-BBRMVZONSA-N	245.410	4.794	0	10	BJAE	
Cc1ccc([C@H](N)CC(C(C)C)C(C)C)cc1C	2068818469	KIHVLRLGHXURLT-QGZVFWFLSA-N	247.426	4.622	0	10	BJAE	
CC(C)Cc1ccccc1[C@@H](O)C[C@H](C)C(C)C	2068837108	PPTZZJOLYAUBRJ-YOEHRIQHSA-N	248.410	4.601	0	10	BJAE	
CCCC1CCC(CN)(C[C@@H]2CC23CCC3)CC1	2069170864	JNBTXNALRFRPOG-HWOWSKLDSA-N	249.442	4.502	0	10	BJAE	
COc1cc(N[C@@H](C)CCC=C(C)C)ccc1C	2070397575	ILCCWAMXTSSRPU-AWEZNQCLSA-N	247.382	4.550	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CC1	2071196150	VAFCIFODYBAFIQ-SVXVCFNTSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC=C[C@](N)(CC2(C(C)(C)C)CCC2)C1	2071926305	NULUXVSMBYEJBP-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC(C)=C(C)[C@](C)(O)c1ccc(C(C)(C)C)cc1	2072434997	CGOAQPOCBLJHSW-KRWDZBQOSA-N	246.394	4.548	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC[C@H]2C=CCCC2)CC1	2072700165	HOFHQIGFEPVECI-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H]2C=CCC[C@@H]2C)CC1	2072802805	BLGIPSIFKSZZIG-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)[C@H]2CCCC23CCC3)CC1	2072807360	VJBICDYCRBRUST-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC2CCC3(CC2)C[C@H]3N)CC1	2072809215	MCNIEIBSBLZWCT-UWEUSHKOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C=CCC2CCNCC2)CC1	2072809349	NCXUGXZWXIMCLE-WKILWMFISA-N	249.442	4.539	0	10	BJAE	
CCCC1(CC[C@H](NCC)c2ccccc2)CC1	2074631995	NTNLUGKJNOKQMZ-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2C[C@@H]2C2CCCCC2)C1	2079668822	CPWXRYZSXVDPLM-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1COc1cccc2ccccc12	2079811380	PFVFAMPQPXNADS-HUUCEWRRSA-N	240.346	4.655	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C[C@H]1C[C@H]1C1CCCCC1	2079852511	QXKBXAIUCNMXFZ-DYWXZXKOSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@H]1CCCC2(CC2)C1)[C@H]1CC[C@H](N)CC1	2082135285	BJNWHKJHGXDAEF-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc2[nH]c([C@]34CCCC[C@H]3C4)cc2c1	2083313553	CQGLSKXXPPDBOK-YOEHRIQHSA-N	239.362	4.562	0	10	BJAE	
CC(C)C[C@@H](C)C=C1CCCNC12CCCCC2	2083809610	VVHSKMNNCRQPRQ-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(-c2cc(=S)cc[nH]2)cc(C)c1Cl	2210142149	KNVLBAISDVEBSH-UHFFFAOYSA-N	249.766	4.681	0	10	BJAE	
Cc1ccn([C@H](C)[C@@H]2CCCC(C)(C)C2)c1	2211149705	XGIDXMISIBGIHL-ZIAGYGMSSA-N	219.372	4.574	0	10	BJAE	
CCCCC(=O)CCC1C[C@H]2CCC[C@H](C1)C2	2213303975	SAEGENMCURGBEW-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC(=O)[C@@H](CCCCCCC2CC2)C1	2213578263	KEJKOWBOMDCSCI-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)CC(CC)CC	2214570034	QBVLCTKYSFYSID-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C[C@@H](N)CC1(C)CC(C)(C)C1)C(C)(C)C	2215384829	GSLBEHBHOSZJJZ-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@](C)(CNC)CC1(C)CC(C)(C)C1	2215397394	CHVHDIDXMLSBCS-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@]1(CC2C[C@H]3CCC[C@H](C2)C3)CCCN1	2218364214	IDAWTLLEGYXBNV-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC=Cc1ccccc1)CC(C)(C)C	2219073145	YAYPUJJTKVQYLC-MRXNPFEDSA-N	245.410	4.504	0	10	BJAE	
O=C(CCCCC1CC1)CCCc1ccccc1	2220021785	DIJKKOQHQBOLFE-UHFFFAOYSA-N	244.378	4.549	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CCC23CCCCC3)C1	2221027530	HILLIPBMZAWYTE-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@@](C)(N)C2CCCCC2)CC2(CCC2)C1	2221030176	APCAECYKYNHRJV-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@H](CN(C)CCC2=CCCCC2)CC1	2221619895	VFWCPCDUMKYOTO-KRWDZBQOSA-N	247.426	4.555	0	10	BJAE	
CCN[C@H](C[C@@H]1CC1(C)C)[C@]1(C)CC=C(C)CC1	2221632689	RFRDUZWPGWOASB-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CNC[C@@]2(C)CC=C(C)CC2)CCC1	2221639650	DLIGONIQGQAUNC-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
Cc1sc(C)c(CC2CC(=C3CC3)C2)c1C	2243603861	SLXHHSDENBJQIF-UHFFFAOYSA-N	232.392	4.716	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H](CC)CCC	2244782409	MMXKBSSMFZQREJ-WSQYCBKMSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC)c1nc(Cl)cc(C(C)C)n1	2244795903	KFXHHUHHVVHXTE-SNVBAGLBSA-N	240.778	4.547	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1CCCCC12CC2	2246607815	VCJHDYZPAPAQOE-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H]2CCC2(C)C)C1	2247429956	ASTVAFHUCIGWSK-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@H](C)C(C)(C)C	2248815399	OZHQVYRAJGZWMC-QPSCCSFWSA-N	239.447	4.602	0	10	BJAE	
CC1([C@@H](N)c2ccc(C3CCC3)s2)CCCC1	2250295431	XIMDWTAUZGWBTB-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H]1CCC[C@H](C)C1)NC	2250353565	WAWRIMGHPHGOPP-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCC(C)=C(C)C)NCC	2250361561	NTOISDYHVHKDLS-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](CO)CC(C)C	2250488842	RPHMPOFAUAMJQW-HZPDHXFCSA-N	242.447	4.884	0	10	BJAE	
CCCC[C@H](C[C@@]12CCC[C@@H]1CC2)NCCC	2251174185	DTKURHRJGNHJPC-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CN)CCC1CC(CC(C)(C)C)C1	2251502712	OVFCDWJSKSLPBM-WLYUNCDWSA-N	239.447	4.604	0	10	BJAE	
C/C=C/CCC[C@@H]1CCC(C)(C)[C@@H]1NCCC	2251702463	RSAMEGIMJMKTCM-IPKOWEFYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@H]1CCCCC12CC2	2253815828	WIQWTXODOUIGEW-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)C=CCCC2(C)C)C1	2253938036	YSAJNIRBXYMVNP-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)CCC=CCCC2)C1	2253968744	KRYAYDDFXMCVNW-IKGGRYGDSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCn1ccc2cc(F)ccc21	2254520641	IRGZXBSPDMJKLJ-OLZOCXBDSA-N	245.341	4.607	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@](C)(N)C1CC2(CCC2)C1	2254586973	YYAICZJMTPBAIL-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)CCCC[C@H]2C[C@@H]2C)c1F	2254594316	RLPCTKNJWBVZEN-STQMWFEESA-N	248.341	4.533	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@@H]2C[C@H]2C)cc1C	2254596333	VGHGMFKYSDSSRK-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1(N)CC(C2CCCC2)C1	2254605060	LOPFDGVUJYORBQ-OBTMHIKCSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1C=CCCC1	2255092604	AIWCCJFAUHFRPN-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
O=C(CCC[C@@H]1CCCC12CC2)c1ccccc1	2255273843	QXWJIEZPMJSAPG-OAHLLOKOSA-N	242.362	4.620	0	10	BJAE	
C[C@@H]1CC[C@H](CNc2cccc(C(C)(C)C)c2)C1	2257956575	MZCJXBNDNXDNKE-KGLIPLIRSA-N	245.410	4.832	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@]12CCCC[C@H]1CC2	2260485510	FSUDCLIGQXMFPJ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(NC[C@]23CCCC[C@H]2CC3)c1	2260622574	MMUMUDXTYIBSDB-DOTOQJQBSA-N	243.394	4.686	0	10	BJAE	
CCc1cccc(OC[C@@]23CCCC[C@H]2CC3)c1	2260650519	DYIGOFKJIIJGAA-RDJZCZTQSA-N	244.378	4.598	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](N[C@H]2CCCC23CC3)C1	2261403877	YCKAGLMWIPFHJL-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCC1CC(C)C1)C1=CCCCCCC1	2261498466	XTJQEQJWJGSORT-VMBOVVBDSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC1CCC1)C[C@H](N)CC1CCCCC1	2298935211	GNWGKDNREOZXDB-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCCC2(CC2)C1	2300700907	ORPJUBIVXNKMTI-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC=CC[C@@H](NCC)c1cccc2ccsc12	2300879166	DPCKECZCZNCAME-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
CC[C@H](CC(=O)[C@@H](C)[C@@H](C)C(C)C)C(C)(C)C	2301907393	JCXWAKJZJRBONS-MELADBBJSA-N	240.431	4.946	0	10	BJAE	
C[C@H]1[C@H](C(=O)CC2CCCCCC2)CC1(C)C	2302079605	JPOSXSPTZLLLHE-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
COc1c(-c2csc(C)c2)cccc1C(C)C	2302251370	HWZSAGFAIQNDSS-UHFFFAOYSA-N	246.375	4.856	0	10	BJAE	
C/C=C/CCC[C@H](CCC[C@@H]1C[C@@H]1C)NCC	2302611182	BLDCBDOJYNVTMD-DEOFCCLISA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](O)CC1(C)CCCCC1	2302618760	AXPCCADXNOIYMK-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC[C@H]1CC[C@H]1C(C)(C)C)NC	2303472354	PQXDWQFNRGOXJB-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@H]1CCC(C)=C(C)C1	2303526855	RPEHRIICPJCRKB-OWCLPIDISA-N	237.431	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)CCC(C)(C)C)CC1	2303577529	NJSYCVAJYSAWOH-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
CCc1cscc1NC[C@H]1CCC(C)=C(C)C1	2303603072	ZLRCPDGJBBHNOR-ZDUSSCGKSA-N	249.423	4.859	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(O)CC[C@H]1CCC(C)(C)C1	2304399551	NXBVCGYLZFHETL-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cccc(C)c1F	2307750780	YOQSXMNTOCRJOK-GFCCVEGCSA-N	236.330	4.533	0	10	BJAE	
CC1(C)CC[C@@H](N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2308400560	MVAUIEFSYOJPEG-KLZNWCGWSA-N	249.442	4.514	0	10	BJAE	
O=C(CC1=CCCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309180921	NQGWIRNPXCMUOJ-JYJNAYRXSA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@@]12CCCC[C@@H]1C2	2311128847	VCUNRYWVOYQDAC-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H]1C[C@H](C)c2ccccc2N1	2311573225	FAJDZJNJTPUFJJ-LJISPDSOSA-N	243.394	4.801	0	10	BJAE	
CCc1cc([C@H](N)C(CC)(CC)CC)ccc1C	2314693507	BWIINROVNUPFIN-INIZCTEOSA-N	247.426	4.774	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC1CCC(F)CC1	2315886088	HFASJKCFRJTRMJ-UHFFFAOYSA-N	249.373	4.811	0	10	BJAE	
CC(=CCc1ccnn1C(C)C)CCCC(C)C	2316488747	DJWBTYGSLRSIJI-UHFFFAOYSA-N	248.414	4.779	0	10	BJAE	
CCN[C@@H]1[C@H](CC=C(C)CC)C[C@H]2CCCC[C@H]21	2316531067	APWMXUYFFXGDEY-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC=C(C)CC)c1ccccc1F	2316536179	KYQFIVFIJZOFNK-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C[C@H]1CCC12CCC2	2316538293	VUFIBRWDBTWXFM-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1[C@H](O)CCC1CCCCCC1	2316970763	IMOMISKRWIWVBV-QGZVFWFLSA-N	246.394	4.779	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@H](C)[C@@H](C)C(C)C	2317836309	ULHBEASXBBZGMC-GRDNDAEWSA-N	248.410	4.772	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)CCC2=CCCCC2)CC1	2317905735	YIIYBBNCMOSGOE-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CC(C)c1ccc(F)cc1NCC1CCCCC1	2317918310	SUTAEBCFCGTHRK-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
CC(C)c1ccc(F)cc1NCCC[C@@H]1C[C@H]1C	2317923072	POJBKNVVPSQJDX-CHWSQXEVSA-N	249.373	4.797	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NCCCC1=CCCCC1	2318574296	YTGUTZLVGWIGDM-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCCN(CCCC2=CCCCC2)CC1	2318596096	WHDJHIUFQQRFOL-INIZCTEOSA-N	249.442	4.779	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C[C@H]1CC[C@H]1C1CC1	2319492521	OXJMGXVYPNTEHG-YCPHGPKFSA-N	248.410	4.598	0	10	BJAE	
O=C(CC[C@@H]1CC[C@H]1C1CC1)CC1CCCCC1	2319738093	OHBRFZUHNPGAQP-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@H](CNCC2CCC(C)CC2)CC1	2320268675	RWZJMDGIFHXKOO-QWFMPGPPSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](CC)CNCc1cccc(C(C)C)c1	2320614704	ZBZSAGFEUNPPPT-HNNXBMFYSA-N	247.426	4.726	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)[C@H]2CCC3(CC3)C2)C1	2321634532	SQBMZKJNZHSTFH-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)CCCCC23CC3)C1	2321650297	SRACEJYGUJHVJM-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCC1CC1)c1cc(C)ccc1C(C)C	2327659943	KZMAYPDPCJSMKL-KRWDZBQOSA-N	245.410	4.569	0	10	BJAE	
CCCc1ccc(N[C@H]2CCCC[C@@H]2C)cc1	19233042	XZTQXHXUNPYHHN-BBRMVZONSA-N	231.383	4.630	0	10	BJAE	
CCCCCc1ccc(N[C@H](C)C2CC2)cc1	19998177	LVVWIJMICXKEEI-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1ccc(CC)s1	20482580	UPJZAUOHMCHDCD-SMDDNHRTSA-N	239.428	4.527	0	10	BJAE	
Cc1ccc(Cl)cc1NC1CCC(C)CC1	21517220	VNYYBFNRZVPFLG-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CCCC(CCC)N[C@H](C)c1ccc(CC)cc1	36958463	FJOOOLIETRBYLC-CQSZACIVSA-N	247.426	4.868	0	10	BJAE	
CC[C@@H](C)Nc1ccc(-c2ccccc2)cc1	37056990	MVFMXSZWDYWJBJ-CYBMUJFWSA-N	225.335	4.564	0	10	BJAE	
CC(=O)c1ccc(-c2ccc(C(C)C)cc2)cc1	38071988	XHCRNQRDKAUYPS-UHFFFAOYSA-N	238.330	4.680	0	10	BJAE	
CC[C@H](Nc1ccc(C)c(Cl)c1)c1ccco1	54082489	PXWCLBXNPQOKNE-ZDUSSCGKSA-N	249.741	4.805	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)CCCC(C)C	68985833	CWZDPGGXXJBFRF-LSDHHAIUSA-N	227.436	4.760	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@@H](C)C(C)C	70123843	VBYWEIZDEYMOBG-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](C)Nc1cccc(F)c1C	71105903	HUKCHWYKPYUQJJ-LLVKDONJSA-N	223.335	4.515	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CCCC(C)(C)CC1	83520558	MYOHFBIYQALDNK-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCCCC1(CN)CCC(CCC)CC1	83780307	NPPUJJVKLRJSJO-UHFFFAOYSA-N	225.420	4.502	0	10	BJAE	
CCC1CCC([C@@]2(N)CCCC[C@@H]2CC)CC1	85078585	MKIPIIKSYXFQSQ-BHDPWAOGSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H](C)c2ccccc2)CC1	86893334	DTYJUUNDKXAHJX-YQQAZPJKSA-N	245.410	4.696	0	10	BJAE	
CCCCCC[C@@H](N)c1csc2ccccc12	97468034	HGHCIIPLPWWUTO-CQSZACIVSA-N	247.407	4.872	0	10	BJAE	
CCCc1cccc2c(Cl)cc(C(C)C)nc12	109693228	DVCJDDZFZBZOPG-UHFFFAOYSA-N	247.769	4.964	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)CC(C)(C)C)cc1	109785803	KFBVRLLAHDFONX-IUODEOHRSA-N	234.383	4.670	0	10	BJAE	
C[C@H](Nc1ccccc1C(C)(C)C)C1CCCC1	109790802	IGPKIDSMMYEYRF-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)c1c(C)cc(C)cc1C	109944724	GLBKAHZAMQNHNZ-HOTGVXAUSA-N	247.426	4.841	0	10	BJAE	
CC[C@H](C)c1csc(CSC(C)(C)C)n1	132244071	IJDBTRYAFBWWCW-VIFPVBQESA-N	243.441	4.688	0	10	BJAE	
CC(C)c1ccc([C@H](N)CC2=CCCCC2)cc1	161182304	CHPUAXYILUXZBG-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CCCC(CCC)[C@H](O)c1cc(C)cc(C)c1	166802497	OAJVBWCTTDJLOX-INIZCTEOSA-N	234.383	4.553	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)CCC2CCCCC2)C1	168977706	TXTIYAJGLQRAJE-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CCC)Nc1ccnc(Cl)c1	226136674	HDBCFWFJEBFUHY-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H]1CCCC1(C)C	226819298	TYABWVNLSTXTOK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C[C@H](C)CC(C)(C)C)C1	229453800	PPZRBPWXRTTXJI-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[Si](C)(C)C	230926762	IXZJPRCDRXCRKD-CQSZACIVSA-N	243.511	4.521	0	10	BJAE	
CC(C)C[C@@H](C)c1c[nH]c2c(Cl)cccc12	232627335	DUMBHTISJHYNFV-SNVBAGLBSA-N	235.758	4.971	0	10	BJAE	
CCCCCC[C@H]1Nc2ccccc2C[C@H]1C	232972020	HGRGZWIGVVTYLI-UKRRQHHQSA-N	231.383	4.630	0	10	BJAE	
CCC1(CN[C@@H](C)c2ccccc2C)CCCC1	233085717	QPPRAFWYPKMMIL-HNNXBMFYSA-N	245.410	4.616	0	10	BJAE	
CCC[C@@H](CC)N[C@H](c1ccccc1)C(C)(C)C	233288480	YUOKVAVNEFRSCI-HZPDHXFCSA-N	247.426	4.942	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)c1ccccc1C(C)(C)C	300461144	DKMXCXIVSRNGFU-CJNGLKHVSA-N	247.426	4.681	0	10	BJAE	
CCc1ccc([C@@H](O)CCCC(C)(C)C)s1	300786144	BXXZQLMOLFDXPU-LBPRGKRZSA-N	240.412	4.560	0	10	BJAE	
CCCCC[C@H](C[C@H](C)CC(C)C)NCC	300916049	MJZIPEVNFGOUGH-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](Nc1ccc(Cl)cc1C)C1CC1	304394427	ZHXRGDUMXSBWGV-CQSZACIVSA-N	237.774	4.639	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@H](C)C(C)C	305955726	NTWKXESZNDAISC-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1cccc(C)c1F	310284766	ZUGGECQQLJKNPS-CHWSQXEVSA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CC[C@@](N)(CC2CCC(C)(C)CC2)C1	310384381	HLVWIJREPYKUCA-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c([C@H](N)C(C)(C)C(C)(C)C)cc1C	311137624	FJOMOORGULJBGD-HNNXBMFYSA-N	247.426	4.684	0	10	BJAE	
C[C@@H]1CC[C@](CCC2CCCC2)(CNC2CC2)C1	318848813	CGMAVNDMIMYTRC-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc2ccn([C@@H](C)[C@@H](C)CC)c12	319704354	YGEBMRUHTQVCIM-STQMWFEESA-N	229.367	4.811	0	10	BJAE	
CCC[C@H](N[C@H]1CCC[C@H](C)CC1)C1CCC1	322483757	UZGONTKHKYYGRC-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
C1CCC(CCCN[C@H]2CCCC23CCCC3)C1	328118675	QDXXHFFXQYJTPR-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
Cc1ccccc1[C@H](O)C[C@H](C)C1CCCCC1	380909147	SZRIOZVYCYQYEB-WMLDXEAASA-N	246.394	4.635	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)c1ccccc1CCC	384562707	SKBGOZVPSZIHHP-LSDHHAIUSA-N	247.426	4.521	0	10	BJAE	
CCCc1ccccc1[C@H](N)C1(CC)CCCC1	384668677	QFDLLYZCWRDUOM-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
C[C@@H](CCNC(C)(C)C)CCC1=CCCCC1	384980576	QTCGVDJJMYKQGM-CQSZACIVSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@@H](O)c1cccc2ccsc12	386354471	VBBFPSQNLNIYGC-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H]1CC12CCCCC2	387125258	LCAMJNMPMXVAGL-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CNc1c(Cl)cccc1Cl	394577673	WENBQWQJXFLWLV-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
Cc1ccc([C@@H](C)NCC2(C)CCCCCC2)o1	394660642	KMTOWXFVHCTHSB-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CC(C)CCCCCC[C@H](O)c1ccccc1	394757903	ZJAKHAGEORMXGU-INIZCTEOSA-N	234.383	4.717	0	10	BJAE	
CSc1cccc(N[C@@H](C)CC(C)(C)C)c1	394977189	CGYLVCGMLCKONP-NSHDSACASA-N	237.412	4.645	0	10	BJAE	
CCc1cc2scc(CC)c2cc1C(F)F	396166515	HXDOMTUIZIBUEI-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@H]1CC[C@@H](CC)C1	400470662	QNHUHCBKNPVMLX-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1C[C@H]2C=C[C@H]1CC2)C(C)(C)C	402117443	BKWGKRCBJJSJDL-CBBWQLFWSA-N	248.410	4.620	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1coc2ccccc12	404639371	KVCOJYLZFCUOSJ-LRDDRELGSA-N	246.350	4.683	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC(C)(C)c1ccccc1	686658171	PSXOEFPWWFSSSU-KRWDZBQOSA-N	248.410	4.542	0	10	BJAE	
CC[C@H](C)Oc1cccc(N[C@@H](C)C(C)(C)C)c1	687694110	CYPKBYCULQYDJW-STQMWFEESA-N	249.398	4.710	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(C2CC2)cc1	690087603	IAALYHUQTILYQI-OAHLLOKOSA-N	231.383	4.945	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@@H](C)C1CCC1	692795078	MYRBSDJXNRYDTN-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCCC12CCC2	694710184	QLJMRUIZNJRINS-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)c1ccc(C)c(C)c1	695096946	FFFLKNSMUHQBQK-GJZGRUSLSA-N	247.426	4.779	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H]1C[C@@H]1C(C)(C)C	700011308	GKXSHPUMNNNPKB-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(-c2cc3ccccc3s2)c(O)c1	704120618	CSKUOPCSTHXSKB-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1C[C@@H]1C(C)(C)C	704171470	UVWGNSPLEVFNBM-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](N)(CC1CCC(C)CC1)C(C)(C)C	704914449	OMKSOZAPJBDWKC-ZBCRRDGASA-N	239.447	4.747	0	10	BJAE	
CC(C)c1ccc(O[C@H]2CCCC[C@H]2C)cc1	704921325	BHDLOYQSRPERKD-CJNGLKHVSA-N	232.367	4.768	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(N)(C1CCC1)C1CCC1	705335991	RFOBXBALPXNFRY-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@H](O)[C@@H]1CCCC1(C)C)CC(C)(C)C	709129455	UANVGERFYUGXFG-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
C[C@H](C(=O)C[C@H](C)CC(C)(C)C)c1ccccc1	709208225	ANVPPAKLBBYVGJ-KBPBESRZSA-N	246.394	4.822	0	10	BJAE	
CCCN[C@H](C(C)C)[C@H](C)CC1CCCCC1	709757877	GQXWTRQKDNYOEY-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@@H](C)c2ccc(C)c(C)c2)cs1	710712199	YFBUWHWADMTNJO-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CC(C)[C@@H](CNC(C)(C)C)CC(C)(C)C(C)C	713223222	SLLIVJWWMOQXPT-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1cccc(Cl)c1	718690403	JNAYHSDYODLQJP-CQSZACIVSA-N	238.758	4.510	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CCCCCC1(C)C	719270577	STFSMFTYLTZJMC-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC/C=C\c1ccccc1	721701129	ASBWSJKKROGCGJ-OVHOFWQVSA-N	246.394	4.667	0	10	BJAE	
Cc1ccc(-c2ccc(F)c(Cl)c2)c(C)c1	725269882	ADRAXPBACSINJH-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC[C@H]1CCCCC1(C)C	1171917234	VDZNETMKDWHLCF-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H]1N[C@@H]1CCCCC12CCCCC2	1875421258	ZCHGMEAGZNXZMA-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC[C@@]2(C)O)CC1	1909701190	IBQFEMKBKRPAFC-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@@H]2CCCC[C@@H]21	1909757535	GWYKPZNUVDSKLN-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C1(C)CCCCCC1	1910808970	DXZYWPIPMMNOCH-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C1CC2(CCCC2)C1	1912607104	OETMDOCYAOUFNK-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)CCC2(CCCCC2)C1	1915915681	ZKWXHYWUXUANCW-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCC3(CCCC3)C2)C1	1916442183	KIALDXYVYZVPJN-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C)[C@@H](N[C@H]1CCC2(CCCC2)C1)C1CC1	1916444891	MNNANFYNJZOLRQ-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@@](C)(N)CCCC(C)(C)C)c(C)c1	1920438360	PBZDQWOCKAEKFV-KRWDZBQOSA-N	247.426	4.694	0	10	BJAE	
CCCC[C@H](C)[C@H](CC[C@@H]1CC1(C)C)NCC	1921567523	KUWHAGGZPWKNBO-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
Cc1csc(C)c1C(=O)[C@@H]1CCCC12CCC2	1921633935	UHPQOUIIKNKLLA-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
C[C@@](CNC1CC1)(CC1CCCC1)C1CCCC1	1924088516	FMZGJIBFTZDSLK-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H](C)C2CCCC2)C1	1924139685	RYDVQSGHCDPLAD-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCCC1)CC(C)(C)C	1925915882	RSJQNUPDUHNSHO-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1csc(Cl)c1	1933587127	JBIIFMQJMMPBRK-SKDRFNHKSA-N	246.803	4.507	0	10	BJAE	
CCC(CC)Nc1cc(C)c(Cl)cc1C	1933593585	XLSXNLVGNLRDMQ-UHFFFAOYSA-N	225.763	4.557	0	10	BJAE	
CC[C@@](N)(CC1(C)CCCCC1)C(C)(C)C	1935622986	MIOFSJWODUSQMG-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](O)CC[C@H](C)C1CCCCC1	1939133970	KLSAONSDELDOFI-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)CC1(C)CCCCC1	1940414199	IEBYFPYUCOTRIX-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@@H](C)C1CC1	1940707295	WKIBYPCPNDAPBV-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](CCCCCC1CC1)NC	1941585182	DXVSZMMUUDZVRE-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@](N)(CCCCCC2CC2)C1	1941590942	HAYLMKOMFNMGJC-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CNc1cccc(C2(C)CC2)c1	1944599778	HTYTUFQQRGJCMS-ZDUSSCGKSA-N	231.383	4.586	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C[C@@H]1CC1(C)C)NC	1944749234	HBTGEQHJIIRKOU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Clc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)cc1	1946346808	ZXLTYVYVNZIKRH-TUKIKUTGSA-N	249.785	4.721	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CC[C@H]3CC[C@H]2C3)c1	1947122567	FKGZECILZPYJQU-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1	1948564796	VWGLRGLNGXZTFS-XHSDSOJGSA-N	231.383	4.636	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(N)CC1(C)CCC1	1948974203	JKGSYUCQCJWZLC-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CC1=CCCC1)CC1CCCCC1	1949038424	FVJSLIAMOWCARD-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)NC1CC2(CCC(C)(C)CC2)C1	1950550748	PQKSDXMHYZOBTM-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CC1CCC(C(=O)[C@@H]2CCC[C@@H](C)CC2)CC1	1950930446	PASIUJZTKLKPLZ-FEWQNLEASA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CNCc1cccc(C(C)C)c1)C(C)C	1963166556	JJIWVNPKGIOVSF-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
CN(CCC1=CCCCC1)C1CC(C(C)(C)C)C1	1963354507	XZDPMJFMHOGQCZ-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
C[C@H](CCC1CC1)NC1CC(C2CCCCC2)C1	1967800082	XJXDEYZOTFEQMG-NVPAJSRCSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC[C@H]3CC[C@H]2C3)c1	1968408145	NQYPDFQGJHCBLK-KMFMINBZSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1CC=CCC1	1976654625	NNRXBSLGEHENLI-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CC(C)CCCCCC(=O)CCC1CCC1	1976928483	JITSYNUYUOEHBJ-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H](C)CC[C@H](O)c1ccc(Cl)cc1	1980681948	QEYOXLKRSCXLEW-RISCZKNCSA-N	240.774	4.590	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1CC[C@@H](C)C1	1990093173	IHGGWHQRXBACPO-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CC[C@](N)(CC(C)(C)C)C1CCC(C)(C)CC1	1996594543	NNOATHWUDDSFLV-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1CCC=CCCC1	1999984148	VCXWLQKCFKZIKG-CABCVRRESA-N	236.399	4.908	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CCC2CCCC2)C1	2000144596	YKUJKPPQDBKKDB-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCC(C)C)[C@H]1CCCC(C)(C)C1	2000255226	NCZNSPHISVBPAA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](C[C@@H](C)C(C)(C)C)NC)CCC1	2000323463	XYVXEYKWHUGTMF-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@@H](CC1(C)CCCC1)NC	2000324382	SDQSBMKMBRZIMI-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCCCC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2001495268	TYJQMJGJBDWKJG-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CCC[C@@](O)(C1CC(C(C)(C)C)C1)C(C)(C)C	2002308398	NMAWCRODXIVCHV-SEEARECTSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](O)CC2(C)CCCC2)C1	2002972217	PXKRYVWYHFMKED-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1(N)CCCCCCCC1)C1CCC1	2003097144	DJEOCQWGYNKZTF-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CC1(C[C@@H](O)CC2(C)CCCC2)CCCCC1	2003178886	ITPQAPLZIZRYIT-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](N)C1(C)CCCCCCC1	2004924009	XBCRDXVUPLKXHZ-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1CCC[C@H](CCC(C)(C)CC)[C@@H]1C	2006981738	QZXSWSHNYVGDGP-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)(CC1CC(C(C)C)C1)C(C)(C)C	2007746753	MKNFYFOCKIEXFL-XUJLQICISA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@H](N)[C@@H](CC2CCCCC2)CC1	2009404474	NUUOTZCJNQCXRR-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@H](C)CC(C)(C)C	2009547852	LSOXLRDZKYWALB-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC1CC(N[C@H]2CCCCC[C@@H]2CC)C1	2009788595	WYTOGGWRGUUGAP-GRAKBVBRSA-N	237.431	4.514	0	10	BJAE	
COC[C@@H]1CC[C@@H](CC[C@@H]2C=CCCCC2)C1	2010888153	OLUQCGPCQIYJSL-BZUAXINKSA-N	236.399	4.576	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)[C@H]1CCC[C@@H](C)CC1	2011571444	FMSZNAGJKJMJQV-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@@H]2CC[C@@H]2C1	2015201459	WZCAXLUDBJYUDQ-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)c1cccc2ccsc12	2015279446	XKVGOEDKJXQLQK-BXUZGUMPSA-N	247.407	4.583	0	10	BJAE	
CC(C)C(CC[C@@](C)(N)C1(C)CCC1)C(C)C	2015360883	MVRMACHTEAMMRE-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CN(C)C[C@@H](C)C(C)(C)C)CCC1	2015635644	YDPOXNUFNKGRKB-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@H]2[C@@H](C)[C@H]2C)cc1	2016288225	ZMQQAFVYMNWETQ-NFFDBFGFSA-N	231.383	4.514	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@H](C)C(C)(C)C)CC1	2017721218	KBUYFQMVBARUQM-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC1(C)CCC(C)CC1	2017743208	MSIJREDXFHQESV-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)C1(C)CCCC1	2018136114	HPYOKUSIJOWLHB-CABCVRRESA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)[C@H]1CCC1(C)C	2018136953	QLPVUPIHECFDTH-QLFBSQMISA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)CN(C)CCC(C)(C)CC	2019187250	CWHXIQTZNXHEDI-HNNXBMFYSA-N	241.463	4.961	0	10	BJAE	
CCCCCCN(C)[C@@H]1CCC[C@H](CC)CC1	2019290532	KEFFHGBRZSTBKV-JKSUJKDBSA-N	239.447	4.857	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CCC[C@H]1CC(C)(C)CC	2023997216	GABZELUWMUPMTL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1CC(CC)C1	2026061430	OSQCYZNAKKAWBP-NFOMZHRRSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC1CCCC1)NC	2026162396	BWQGOUUAKKQCNE-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC1CC(C)(C)C1	2026170227	OEKRPRBGMYGJQV-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C[C@H]2CCC[C@H]1C2	2026245388	UFHBDZAIYFNDHT-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCc1cccc(CC)c1N[C@@H]1CCC[C@@H](C)C1	2026859174	PYFZNMFRZLSLFF-CZUORRHYSA-N	245.410	4.802	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)c1coc2ccccc12	2028256577	AUYUQVSODVPBRM-MLGOLLRUSA-N	245.366	4.505	0	10	BJAE	
CCCC(CCC)C(=O)c1ccc(C2CC2)cc1	2028590842	MZLOOUIEOBMFLL-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)c1cc(C)co1	2028625989	OUHJNHNRLLSWRT-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC(C)NC[C@@H]1CCC[C@H]1CC1CCC=CCC1	2028875215	FTUSPQVNYONSPL-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]1CNC1(C2CCCCC2)CCC1	2033057822	YKPZNLNLLSJKNC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCc1occ(C)c1[C@H](N)CCCCCC1CC1	2035534118	PDCMEBKVWCXFLT-CQSZACIVSA-N	249.398	4.511	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@@H]2C=CCCC2)cc1	2035596541	CNCXLIRPKGWFQW-CQSZACIVSA-N	243.394	4.752	0	10	BJAE	
C1CCCCC2(CCCC1)CCNC[C@H]2C1CC1	2035884478	AUASWRURDJDXEB-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
Cc1ccccc1C1(N)CCCCCCCCC1	2035885023	DEOKCPHYGYCHJV-UHFFFAOYSA-N	245.410	4.674	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(CC2=CCCC2)CC1	2037160134	GBDBXNQHGPFTNX-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@](C)(N)[C@@]12CCCC[C@H]1C2	2037177886	HECNHWOCGLPILD-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)C[C@H]2C=CCCCC2)CCCCCC1	2037268380	DTMBKDXYRXGOIR-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@@]1(N)C[C@H]1C=CCCCC1	2037272228	SJCBZKSVEQSENJ-YYIAUSFCSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@@H]1CCC2(CC2)C1	2038566490	CTLNLEUYKFFWPM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@H]1CC12CCCCC2	2039013214	VVZPDGDHXHSKJL-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C=C1CCC2(CC1)C[C@H]2CN)CC(C)(C)C	2040470657	BLUQPAUDLYJQMA-LYFVRQJISA-N	249.442	4.524	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2cccc(C)c2)CC1	2041384877	XQVPGWUJYSVOAU-GJZGRUSLSA-N	244.378	4.784	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NCC1CC2(CCC2)C1	2041837999	SHHGWXHCBSAQSJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(CNC[C@@]2(C)CC=CCC2)CC1	2042070640	WUUAWWCYYTYROD-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)C1CC(CNCCC2=CCCCC2)C1	2043000828	ODZTUUMCWUQAGD-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1N[C@H](C)CC1=CCCCC1	2043186629	GFRGWALEAWGWDL-UXLLHSPISA-N	249.442	4.824	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CCC2)C1)C1CC(C)(C)C1	2043541519	SVNMQFKQDXLAJG-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CCC1CC([C@H](C[C@@H]2CCC=CCCC2)NC)C1	2045329121	LJJCSDHSALBFHI-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](N2CCCCC23CCCC3)C1	2045519353	IGEZQBBSVGHPSW-HNNXBMFYSA-N	249.442	4.754	0	10	BJAE	
CCC[C@H](C)C[C@H](C[C@@H](C)c1ccccc1)NC	2045750618	WMSXUYZDEONTFN-ZMSDIMECSA-N	247.426	4.595	0	10	BJAE	
C[C@@]1([C@H](N)C[C@H]2CCC=CCCC2)CC=CCC1	2047680598	FBYBXUPVTCDIDB-GVDBMIGSSA-N	247.426	4.587	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@H]2[C@H]3CCCC[C@H]32)C1	2048469066	QXSZBDNYAMGICV-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@H]2CCCC3(CC3)C2)CC1	2049854217	IZFNHTPRRQRKCW-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@H]1CCC2(CC2)C1	2049855483	JLIYYEYIJKIQPZ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C(=O)C[C@H]2CCCC3(CC3)C2)CCC1	2049962561	FZBPDMCDWAJDPH-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CCC1CCC(C[C@@H](O)c2ccccc2C)CC1	2050441093	KDVAKNANLVYALX-VMBOVVBDSA-N	246.394	4.635	0	10	BJAE	
CC1(CC(=O)[C@@H]2CCCCC23CCC3)CCCC1	2053360788	RKHNHBBPJNUTMC-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2C=CCCC2(C)C)CC1	2055533738	WOLUIRHLIHTFFP-GJZGRUSLSA-N	249.442	4.680	0	10	BJAE	
CC[C@H](Nc1ccc(CF)cc1)c1ccccc1	2055675367	WAPIMNNPSGRYEI-INIZCTEOSA-N	243.325	4.719	0	10	BJAE	
C/C=C/CCC[C@@H](NC)c1ccc(C(C)C)cc1	2059250493	QXCGQUHNFNHXRO-FUTAKVPZSA-N	245.410	4.817	0	10	BJAE	
C=C=CC[C@@H](C[C@@H](C)C1CCCCC1)NCCC	2059443679	HNDWEIINDGUPRB-WBVHZDCISA-N	249.442	4.692	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)C1(C)CC(C)C1	2061138840	AOCPOJPGAZYFDS-OBKBAYEDSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CC(C)C1)C1=CC[C@@H](CC)CC1	2061141452	VMZWAGLZOVHODS-BJDYSFLHSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CC[C@@]23CCC[C@@H]2C3)C1	2061623210	QFAQDCPNZGBSDT-WCXIOVBPSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](NCC(C)(C)C1=CCCC1)C1(C)CCCC1	2067515886	AKVVSJCAPGZREH-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
CC[C@@](N)(CC(C(C)C)C(C)C)c1ccccc1	2069003389	NXRUDHXNLQTWAN-QGZVFWFLSA-N	247.426	4.569	0	10	BJAE	
CC(C)C(C[C@H]1CCc2cc(N)ccc21)C(C)C	2069016982	CRDBIRACXMKZGB-CQSZACIVSA-N	245.410	4.617	0	10	BJAE	
CCCCC1CCC(N)(C[C@H]2CC23CCC3)CC1	2069183941	WSZAHZKMWFRTEO-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CCC1(CN(C)C[C@H]2CCC=CCCC2)CCC1	2069319612	SHYPHHJABUZJSZ-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
C1CCCC(CNC2(CC3CCC3)CC2)CCC1	2069585692	VQYZDEOKMFFFTL-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C)C1(NC[C@@H]2CCC=CCCC2)CCC1	2071890850	UIMJTENBEVHNDE-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)C1(CC(=O)C[C@]23CCC[C@@H]2C3)CCC1	2071915862	SSEZMCLKNILAHP-CZUORRHYSA-N	248.410	4.742	0	10	BJAE	
CC(C)C1(C[C@](C)(N)[C@@]23CCCC[C@H]2C3)CCC1	2071951607	ZKFFCDCILVLHEP-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CC2(N)CCC=CCC2)CC1	2072807556	XMHSSIVKRSNVBT-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CCCC[C@H](C=C1CCN[C@H](C2CCC2)C1)CC	2073791889	UGWJXKKKXJGIJT-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCCC1(COc2cccc3ccccc23)CC1	2074565203	XLZFHARFRKYMNV-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
CCCC1(C[C@H]2C[C@H](C)Nc3ccccc32)CC1	2074635697	FPSQHCKOYGNVCG-UONOGXRCSA-N	243.394	4.945	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCC[C@H]1c1ccccc1	2075246301	ZSWIXXOWWPPUIX-WBVHZDCISA-N	245.410	4.648	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCCCC2)CCC[C@@H]1C	2075363011	OKODBXOBFIDQJB-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1	2077360235	OJLRWHSWOKPZLD-DZKIICNBSA-N	243.394	4.540	0	10	BJAE	
N[C@H](C1CCCCCC1)[C@@H]1C[C@H]1C1CCCCC1	2079428841	SBVUNTAEHQROSA-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](NCC)C1=CCC(C)(C)CC1	2079442764	KKNCMRQGPGXOEB-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)[C@]12CCCC[C@H]1CCC2	2079627659	LSZNJYBETCIFFB-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@@]1([C@H]2C=CCC2)CCCC(C)(C)C1	2081682251	QQKSJKHIZRYPAH-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1cccc(CC)c1	2081788149	XTLRFDWXRJYASI-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC1(C)C[C@](N)(C[C@@H]2CC23CCCCC3)C1(C)C	2084338447	KAWMWVOPGABFBQ-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)CC(CC)(CC)CN[C@H](C)CC	2212588482	OIPQZOXRGPSMIT-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CN[C@H](CC1=CCCCC1)c1sc(C)cc1C	2213642586	RYXWQZPUMPKEDX-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218337732	FOJLYQLRGHHMBO-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218378140	OFJNQXOMTZCKCE-WMHQRMGPSA-N	248.410	4.598	0	10	BJAE	
C[C@]1(C(=O)C[C@H]2C[C@H]3CCC[C@H](C3)C2)C=CCC1	2218378471	RVCOJFBALLWTEA-IVSAIRAKSA-N	246.394	4.518	0	10	BJAE	
C1=CC[C@H](CCNCCCCCCC2CC2)CC1	2218714291	IGABKNTWAKYYKC-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CCCCCCC2CC2)C1	2218725638	MZRXUZAPZIWYIO-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)CC=Cc1ccccc1	2219066168	LPHRBKUJTFJEOG-GDBMZVCRSA-N	246.394	4.523	0	10	BJAE	
CCN[C@H](CCCCC1CC1)CC1=CCCCC1	2220029216	ZSRSBZMAWRUKNO-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1(C)CC2(CCC2)C1	2221002227	KDSNYWGTLPYIFF-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC1([C@H](N)CCC2=CCCCC2)CC2(CCC2)C1	2221002893	RZAVIQZIRWWQSY-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](CC1(C)CC2(CCC2)C1)C1CCCC1	2221011810	AVDKUTSITHSZIR-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CC(C)(C)C[C@H]2C)CC1	2221643861	PLNBAEJESBAWAI-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@H]2CC=C(C)CC2)CC1	2221665857	GLEMKZVLVLNOJW-VXLLPVPCSA-N	249.442	4.680	0	10	BJAE	
CCC(CC)[C@@H](CN[C@H](C)CC)c1ccccc1	2223598639	TUOAASBCWZAMLZ-RHSMWYFYSA-N	247.426	4.595	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNc1ccccc1Cl	2243029430	DRJJODYZOLZTNO-NWDGAFQWSA-N	237.774	4.578	0	10	BJAE	
CC1CC(C)(C[C@@](C)(O)CC2CCCCC2)C1	2246447658	KVZZGPBJCIUUJY-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)C1)C(CC)CC	2246453917	JJTCHMJVQOBDCB-OGVSOVDVSA-N	239.447	4.617	0	10	BJAE	
Cc1sccc1C(=O)C[C@@H]1CCCCC12CC2	2246617488	MCHBCQDXQJJECI-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](O)CCC(C)(C)C)C1	2246724160	CFVMRKRQPJSPOU-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H]1CCCCCCC1=O	2247118122	GIVBTHJLKRLKNC-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)C[C@H]1CCC1(C)C	2247415719	GYDGFQHDBAYBNM-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)[C@H](CC)CCC	2250351314	BRMQBQDJIIAKLR-QDIHITRGSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1CC12CCCCC2	2250360328	WKHMMVJKYGERRO-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)C1CCCC1	2250467537	RZOIBWIKGFCELV-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC1=C[C@H](O)[C@@H](CC[C@H](C)CCCC(C)C)C1	2250479202	QXUUVSUBSJADID-KBMXLJTQSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H]1CCNC1(C)C	2250529551	QOGUHBWHZDBMCS-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC(=O)C[C@]12CCCC[C@H]1CC2	2251157105	FZDCVRCTYKOVNL-GOEBONIOSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)[C@H](N)C[C@]12CCCC[C@H]1CC2	2251225677	WSWWDARUHIXUDX-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CC1CC(C)(C[C@@H](O)c2ccccc2C(C)C)C1	2253566569	UJAHDZFIUNSYBF-BLDCVEFLSA-N	246.394	4.670	0	10	BJAE	
NC1(CC[C@@H]2CCCCC23CC3)CCCCCC1	2253811210	RNDNUZMXQOURGC-HNNXBMFYSA-N	249.442	4.789	0	10	BJAE	
CCC[C@@](N)(CC[C@@H]1CCCCC12CC2)C1CC1	2253841058	VHYJJICLQUMJQN-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC[C@@H]2CCCCC23CC3)N1	2253857069	RKGICFLPCMRWCG-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H]1NCC[C@@H]1CCCCC12CC2	2253892798	YXZFCLXORKORKH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](CN)(C[C@@H]2CCC23CCC3)C1	2254822831	UGCJJOMIMZAITF-HOCLYGCPSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC2(CC(C(=O)C[C@@H]3CCC3(C)C)C2)C1	2254977838	OFAHQOHOMYYZOJ-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC[C@@H]1CCCC12CC2	2255230672	YNJPMVSVNVAACU-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC[C@H]1CCCC12CC2	2255232563	GDPPKAKBOMIAFV-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc(C)c1C	2258234742	DKCSANMSCTVRDC-BFQNTYOBSA-N	245.410	4.848	0	10	BJAE	
CCCC1CCC(C=C2CCC[C@@]2(C)CN)CC1	2258786144	AYKFFUXAUNSASJ-DQPZFDDXSA-N	249.442	4.668	0	10	BJAE	
CCCCN(C[C@@]12CCC[C@@H]1CC2)C1CCCC1	2260574935	PXZIWAWOJJMRDN-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
CC(C)c1ccccc1OC[C@@]12CCC[C@H]1CC2	2260587418	MSQMMLAHACRIFJ-YOEHRIQHSA-N	244.378	4.769	0	10	BJAE	
CCN[C@H](C[C@@]12CCC[C@@H]1CC2)C1(CC)CCC1	2260598272	AHDXSSFBXXIRBS-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1OC[C@@]12CCC[C@@H]1CC2	2260647244	OKDPCMKWFDEWOG-WBVHZDCISA-N	244.378	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@@]12CCCC[C@H]1CC2	2260677416	FOPFODZVSLUXSG-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1cc(C2CC2)ccc1Cl	2300674647	XBJPNTBDLZLWSN-YGRLFVJLSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CC[C@]1(N)CC(C)(C)CC[C@@H]1C	2300700819	NYEXOTPHEILUKB-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@H](O)C1(C2CC2)CCCC1	2300703698	JFPYREJCZWIVLY-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC(=CC[C@@H](C(C)C)[C@@H](C)O)CCCC(C)C	2300868963	DPCZJSXRTNYJMR-CVEARBPZSA-N	240.431	4.802	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@@H](C)C1CC1	2300878981	CTCNWJMNOABEMB-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301063785	XGDKOFWQXJHGAO-SRZRBDRPSA-N	234.383	4.518	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)CC1CCCCCC1	2301140748	ROPHPSOWIUPJSC-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](CC2CCCCCC2)N1	2301246892	KRJXTLYXYXSBRE-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C[C@@H](N)CC1CCCCC1	2301836322	LVHXQJSMKPUUJI-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CCCC[C@H]1C[C@H]1C	2302608173	HRBJXHQYFLTUDJ-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@H]2CCCC2(C)C)C1	2302876462	UHPHHAHHSVUUOG-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CCC[C@H]1CCC(C)(C)C1)NC	2304415832	NGKNHOBUDPMJNS-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)[C@@H]1CCC[C@@H](C)C1	2307845049	PETKPAPMWPVACR-QXSJWSMHSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)C(C)(C)C(C)(C)C	2307904587	UAHBYCCXQQHQBY-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@@H]1CCC[C@@H]2C[C@@H]12	2307926198	MOEUVIALVUBRSQ-AYDFFVQHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)C[C@@]12CCC[C@@H]1C2	2312997534	KENZADOJVRZAMT-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCC[C@@H](NC)c1ccccc1C	2316244382	YPHOOKPILXEGPW-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@@H]1C)CCC1=CCCCC1	2317905977	CNVJUHNZIDFUIF-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@H]1C=CCCC1	2317927640	LBBNPSYVVYPGTP-ZDUSSCGKSA-N	247.357	4.717	0	10	BJAE	
CC1=CC[C@](C)(NCCCC2=CCCCC2)CC1	2318546143	PSSCGXXRGLVHQA-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)[C@H]1CCC2(CC2)C1	2318550414	GRQBEVDQTTYIGH-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CCc1occc1[C@H](N)CCCC1=CCCCC1	2318589039	MHMLAGGGZKTGRR-OAHLLOKOSA-N	247.382	4.513	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)C1(C)CC(C)C1	2318593475	VIRMVPRLXWWINR-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)C2(C3CC3)CCCC2)C1	2319035134	STVMJFPCIGEDBP-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@]1(N)CCCC[C@@H]2C[C@@H]21)C1CCCCC1	2319236292	AUSZTOUVLSEUTP-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CC1(CN[C@@H]2CCCC[C@@H]3C[C@H]32)CCCCCC1	2319328991	LCGCKEFGZIYVHV-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CC[C@@H]1C1CC1)C1CCCC1	2319727773	SQFDMEPUQYAZPA-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(OCC[C@@H]2CC[C@@H]2C2CC2)c1	2319747427	FSOGIAUUIZFNEB-JKSUJKDBSA-N	244.378	4.509	0	10	BJAE	
CNC[C@]1(C[C@@H]2CCC(C)=C(C)C2)CCC[C@H]1C	2320326615	GQOHGBURQGUKDM-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](NCCCC2=CCCCC2)CC1	2320374435	YVQBNSHAYACHJP-KRWDZBQOSA-N	247.426	4.746	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CC(C)(C)C2CC2)CC1	2320406490	OJFURTOYJYRYKL-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@H](CNc2cc(C)cc(C)c2)CC1	2320410575	FWVHUGUHLZDVKM-MRXNPFEDSA-N	243.394	4.852	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CCCCC[C@@H]2C)CC1	2320423155	KPTJXACPIQRTDC-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(=O)[C@H]([C@@H](CC2CC2)C2CC2)CC1	2320697570	QCMZRQLRMRUKEU-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H](CC2CC2)C2CC2)C1	2320818468	GKGFAPMLXGPPCL-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2321623419	YCRGSAPSUHDNGH-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H]2CC[C@H](C)C(=O)C2)c1	2327780134	AMUGTKJDQAGXCH-KBPBESRZSA-N	244.378	4.591	0	10	BJAE	
Oc1ccc(-c2ccccc2-c2ccccc2)cc1	1603318	UDAYUFIOVWRZJI-UHFFFAOYSA-N	246.309	4.726	0	10	BJAE	
C[C@@H](CNc1cccc(Cl)c1)c1ccccc1	20022781	PMAJQPZPIZUTNW-LBPRGKRZSA-N	245.753	4.556	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1cccc(F)c1	21800251	OQBJGNAPDLRLHC-WQVCFCJDSA-N	249.373	4.698	0	10	BJAE	
CC[C@@H](Nc1cccc(C(C)C)c1)c1ccco1	54083367	AAZSEIHNNKGBBL-OAHLLOKOSA-N	243.350	4.966	0	10	BJAE	
C[C@H]1CCC2=C1C[C@H]1CC[C@]2(C)C1(C)C	59589088	CSKINCSXMLCMAR-RWSFTLGLSA-N	204.357	4.559	0	10	BJAE	biogenic,in-man
CCCN[C@@H](CC)CCCC1CCCCC1	70746785	MUCPJUYNQKNFKL-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@@H]1CCCC[C@H](NCCC)C1	80415311	RTGUJRJGCZCUNG-CVEARBPZSA-N	239.447	4.905	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCC[C@@H](C3CC3)C2)c1	81626725	LGGUUKPYRCYFRP-ZIAGYGMSSA-N	247.357	4.515	0	10	BJAE	
CCC1CCC(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1	85078796	SYUZYWMMZDFRKC-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCC1(CCC)CC(N)(c2cccc(C)c2)C1	86541628	GZPFFCYYEPGOIS-UHFFFAOYSA-N	245.410	4.529	0	10	BJAE	
Cc1cc([C@H](C)N[C@@H]2CCCCC[C@@H]2C)c(C)o1	88510842	KQLQQNUTWVAWRK-DETPVDSQSA-N	249.398	4.516	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1ccc(F)cc1	109708203	FOGHYLBJAHVWHH-LBPRGKRZSA-N	236.330	4.615	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)C[C@@H](C)CC(C)(C)C)c1	109786046	SSVROXUGSZJQFU-CJNGLKHVSA-N	248.410	4.799	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCC)C1=CCCCC1	110228793	QPGFTVCSVQWYDJ-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Sc1ccc(C=O)cc1	123638901	GRHSUUXTPLFHNQ-UKRRQHHQSA-N	248.391	4.560	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C1CCCCCC1	127789904	MATDOHCIPFWWFS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CNC(C)C)CC(CC)CC	128409765	YRPCQRXKIWJOJG-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1ccc(C2CCC2)cc1	128766107	RBQSTCFOHGNYHT-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCc1cnc(C2CCC(C(C)C)CC2)s1	132134715	DBKPCRAEGVJTLZ-UHFFFAOYSA-N	237.412	4.635	0	10	BJAE	
Clc1cccc(-c2ccc(C3CCC3)cc2)n1	133532512	NKEBYIDPZLGTHS-UHFFFAOYSA-N	243.737	4.670	0	10	BJAE	
Cn1c2ccccc2c2cc(C(C)(C)C)ccc21	141763353	ZZGTXFLCAMHMHH-UHFFFAOYSA-N	237.346	4.629	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@H]1C(C)(C)C)c1ccco1	160755196	UBPLTZURMZMLER-BFHYXJOUSA-N	249.398	4.535	0	10	BJAE	
CCCN[C@H](CC)[C@@H](c1ccccc1)[C@@H](C)CC	166792087	TYCBKIGSUQOWCQ-USXIJHARSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)c1ccc(C)cc1C	167284881	XQAXMKPQNRSMFQ-SUMWQHHRSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H]1CCCCC1(C)C	226783271	NZBDIIDAJHEZTC-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CC1CCCC1	228739412	OGVIDNDBUUMRCU-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCc1cccc([C@@H](C[C@H](C)C(C)(C)C)NC)c1	228858598	SLEDWTHYHSJOKQ-XJKSGUPXSA-N	247.426	4.582	0	10	BJAE	
CC[C@@H](C)c1ccc(OCc2ccsc2)cc1	232358457	HIUGZOOIWBDCQZ-GFCCVEGCSA-N	246.375	4.841	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)[C@H]2CC2(C)C)cc1	232835391	YUQUEMSXPUGWIU-CQSZACIVSA-N	244.378	4.603	0	10	BJAE	
Cc1ccc(N[C@H]2CC(C)(C)C[C@H]2C)c(C)c1	235239661	SLHSOBNAPTZVRM-HIFRSBDPSA-N	231.383	4.540	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N[C@H](c1ccccc1)C(C)(C)C	252196603	SLNSMEWFJDLVEY-VNQPRFMTSA-N	245.410	4.552	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)CCCC(C)(C)C	300780466	BDVPSOHOOBXTJG-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)CCC(C)(C)C	300809639	FRTMGUXCNSRTAD-KBPBESRZSA-N	227.436	4.747	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)C1CCCCCC1	302342764	VGLRXCAZSDXCOV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CCC2CCCCC2)C1	304124166	FAGRKUPCICPWML-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C1(CC(C)C)CCCC1	304556727	VHCZANQYKCYSKW-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
Fc1cc2sc(C(F)F)cc2cc1Cl	307052833	OVLDYZHVRLZVQL-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC1(C)CCCC1)C(C)C	310305778	VITKNQJDADQFBG-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CNCC)C[C@@H](C)C1CCCCC1	310496412	PULDXJWSFFYBIU-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)C[C@@H](C)C1CCCCC1	310556773	IMSZKQYFHYVABJ-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CCc1ccc(N[C@H](CC)C2CCC2)cc1C	322507446	FXBANFMTKPUUBM-MRXNPFEDSA-N	231.383	4.548	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H]2CCC[C@H](C)C2)C1	379759126	CQQXQSBUIIVDKO-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@H](C)CC	383150995	OLIZIQBYSRODBT-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCCC1(C)C	383241486	VGSJUJAUHOMSPR-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)Nc1nccc2ccsc12	384058499	PFNWVBLEDJSQJM-GHMZBOCLSA-N	248.395	4.533	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCCC23CCCC3)C1	385526633	QODDZBQSDONUNV-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)c1ccccc1C(C)C	386639897	RGGJTNJKGOVCAK-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
CCC1(CC(=O)c2sccc2Cl)CCC1	393730256	NPQPKAVPEUEPRE-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCC(CC)(CC)CC	395144888	KXNFGBGGPUIFNE-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CCC1CC1)NCCC1CCCCCC1	398095336	FAUSQMKQVAPGCY-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)C[C@@H](C)C1CCC1	398700267	SSSDBXMFLUZCGY-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC1CCC1)c1c(C)cccc1C	398815920	SNMNRWHQNFKHHT-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@H](C)C(C)(C)C)cc1	399218481	XSBFVJRDWVSHLW-HEHGZKQESA-N	247.426	4.882	0	10	BJAE	
Cc1cc(Cl)ccc1OCCC1CCCC1	400850566	HUDPAPRQLWWXGN-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CC1(C)CC[C@H](Nc2ccc3c(c2)CCCC3)C1	404668791	ZTNCNMLJBCVQGJ-INIZCTEOSA-N	243.394	4.556	0	10	BJAE	
CCCC1(CNc2ccc3c(c2)CCCC3)CC1	687544979	PCGUPFWWAGUXAZ-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CN[C@@H](CCCC1CCC1)c1ccc(C)c(C)c1	688398382	LZHGSTBKTQDFEX-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H](C)CCC(C)(C)C	689793786	USHRWZXPAKSRSO-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C)Nc1cc(C)c(Cl)c(C)c1	690287981	NICPNLCXOFSAFR-NSHDSACASA-N	225.763	4.557	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC[C@@H]2C)c(F)c1	691084361	XAQNNMOAUPEAJA-JSGCOSHPSA-N	235.346	4.515	0	10	BJAE	
CC(C)CCCN[C@@H]1CCCCC[C@@H]1C(C)C	691172031	XEUISZQDBNNWCA-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)C[C@H]1CC2CCC1CC2	691727567	LQGPXTLUWNLGTG-OCUYMYNFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC(C)C)[C@H](CC)c1cccc(C)c1	695078721	OUJPQFFZFRBCFI-IAGOWNOFSA-N	247.426	4.513	0	10	BJAE	
CC1(C)CCCC[C@H]1NCC1CCC2(CC1)CC2	695698643	FYSUNTWKZSVVCM-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCNc1ccc2ncsc2c1	696801484	IGUCJEOBEHOWFI-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1C[C@H]1C(C)(C)C	699759468	QFUZKWFVRBRXDR-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@H]2CCCC23CC3)CC1	706288504	HUSFGCFCPOZQJS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC[C@H](C)CC(C)(C)C)CC1	709120708	BTJVJZBHMZBKNP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H](C)[C@]23CCCC[C@H]2C3)CC1	709153780	JPWNODYMLTUZSQ-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H](C)CC(C)(C)C)C1	709271067	IMDZEIMJFKJMPI-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C12CCC(CC1)CC2	710262587	LMIHIMGSRIEVMW-CUQMJCILSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(N[C@@H]2CC(C)(C)CC[C@H]2C)c1	713013475	GPTGCQLCXBNVBP-UKRRQHHQSA-N	231.383	4.622	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C(C)(C)C(C)(C)C	713140327	MLCKLSJCXKQKLG-ZDUSSCGKSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C)(C)CC[C@@H]1CCc2ccccc2N1	713176022	TVSBVWUHCFLCMW-HNNXBMFYSA-N	245.410	4.876	0	10	BJAE	
CCN[C@H]1CC(C)(C)CC[C@@H]1CC(C)(C)CC	713269711	SCWHXQLYOPAYEY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCc1cc(Cl)c(C)cc1OCC	714532038	PPPYZKHBEAZLDO-GQCTYLIASA-N	238.758	4.556	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1(C)CCCC1	718564956	KFQZXEGKUZZAHN-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1c(C)cc(C)cc1C	718687607	DFOPPZPHWTTWID-INIZCTEOSA-N	246.394	4.782	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@@]12CCCC[C@@H]1C2	822096159	ZCMGIOQCITUTKQ-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCC1CCC=CCC1	1621535547	XVUBQXDGFHYRSC-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@H]1NCC1(C)CCC2(CC1)CC2	1875709309	UIQGTZUXIAPUFR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CCC[C@@H](C)CC(F)(F)F	1888066319	SHUIWAIBZPZHMR-SNVBAGLBSA-N	208.267	4.711	0	10	BJAE	
CCC(CC)CC[C@H](O)c1cc(C)sc1C	1900695496	GPJSWSJEDAZNHW-AWEZNQCLSA-N	240.412	4.615	0	10	BJAE	
CCC(CC)CC[C@](N)(CC)C1CCCC1	1900712349	JPQXPMPLBMEGKH-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CSc1cccc(N[C@@H](C)[C@H](C)C(C)C)c1	1901627097	SBRYFTIXMIPSJZ-NEPJUHHUSA-N	237.412	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCCCC[C@@H]1N	1905444359	LVQRAUGJEZVLMC-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@@H](CC)CC(C)C	1912134104	CTNYJYCIHIQEGL-JKSUJKDBSA-N	237.431	4.559	0	10	BJAE	
CCNCC1(CC2CCCC2)CC2(CCCC2)C1	1912566698	AYSJPFABQDYLIJ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)[C@H](NC1CC2(CCCCC2)C1)C1CCC1	1912732434	NVKRKYXJIKNZGT-INIZCTEOSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C[C@H]1CCCCCCCC[C@@H]1O	1913392764	SIQIGZWDJBMHED-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@@H]1[C@H](C)C[C@H](C)C[C@H]1NCC	1916065944	SUNSYVAHPUQXDR-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2CCC[C@@H](C)C2)C=CCC1	1916338485	XIFVZSGPSXMZLM-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1CCC[C@H](C)C1	1920183836	YBFSTSMMPLXVFH-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@H]1CCCC12CCC2	1921592959	RJQPJJOTYVICRS-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](C)C2CCCCC2)c(F)c1	1924080700	HKCAXIYCSTZXDD-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCCC1)C(C)(C)C	1925915128	LPBCMQNDJPUZTC-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCCC1)[C@@H]1CC1(C)C	1925928860	ZJWPUJRCQRSFIK-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@@H]2C=CCCCC2)[C@H]1C	1925946620	VFNBSHNAHBOCDW-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1(C(=O)c2csc(Cl)c2)CCCCC1	1933553661	MRVKCLSQFHNIIB-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC1(CCC[C@@H](O)C(C)(C)C)CCCCC1	1935620297	KJZRHUPEKNYFRZ-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)[C@@H]1CCC[C@@H](CC)C1	1941262675	IAFPEYOFGVWUID-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCCCCC2CC2)C1	1941590906	GIBDTUHQDHWIRX-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21	1941718161	SFDXYEGQEXCWOS-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC1(N)CC(C2CCC2)C1	1942151370	CKICPAOLICWUDT-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(CN)([C@@H](C)CCC(C)C)CC1	1942660350	UJLZWXRQNBUXGK-FHERZECASA-N	239.447	4.604	0	10	BJAE	
CC(C)=C(C)CCNCCC1(C)CCCCC1	1945424255	JYBDRPBEXIRPPW-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC(C)(C)F)NCC	1947085191	WXCGPTOPEFLNDH-KGLIPLIRSA-N	245.426	4.709	0	10	BJAE	
C[C@@H]1C[C@H]1[C@@H](C)NC1CCCCCCCCC1	1947864383	OFJJESHCILVNCW-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCC(F)(F)CC[C@]1(O)CCCC(C)(C)CC1	1947890335	LDCCHHDSNIZVNG-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1CC[C@@H](C)[C@@H](C)C1	1948865229	UBURLQCPUKTIPO-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(CCC(C)=C(C)C)C1CCCC1	1949046692	HOANXSZMVGUBRH-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCCCCC[C@](C)(N)CC(C1CC1)C1CC1	1949064464	XQCRZXWTYXNAKS-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cccc2ccsc12	1950096231	SWCALFJISSUXFH-CYBMUJFWSA-N	245.391	4.892	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@@H]1CC12CCCCC2	1950668710	OIPSOGFWPOPCSM-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)[C@H]1CCCC(C)(C)CC1	1950913124	DULNSFMTWLWXMT-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@@H](C)NC[C@H]1CCC(C)(C)C1	1967715707	IWMYAELGYRPUSM-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@@H]2CCCC[C@@H]2C1)C1CCCCC1	1967859199	AXOKSRQAAAXMFO-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(Nc2cccc(C)c2C)C1	1968250852	UWBNQFNDPAMMDV-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1CC(C)C1	1968603198	XPPISSZDVLAWJP-UHFFFAOYSA-N	231.383	4.576	0	10	BJAE	
C[C@@H](CN1CC(C)(C)CC[C@H]1C)CC(C)(C)C	1970779690	FANYRTFOQUJUIJ-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC(C)C)CC1	1976342851	QNNYJRHTZDWZIF-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
Cc1c(C(C)(C)C)[nH]c2c(Cl)ccc(F)c12	1984655095	JZCXLWBQNLOCFT-UHFFFAOYSA-N	239.721	4.566	0	10	BJAE	
CCCCCC1CC(N)(CCC(C)(C)C)C1	1984746755	NCHYMPJZWQJQKO-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCCC(CCC)N[C@@H](CC)CCC(C)C	1986971742	VSZADJNXHBCXCI-AWEZNQCLSA-N	227.436	4.760	0	10	BJAE	
CC(C)C1(COc2ccccc2Cl)CCC1	1989448183	URFNYAGOLRTHMY-UHFFFAOYSA-N	238.758	4.545	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)c2cccs2)CC1	1989780067	NJZKSNHGWRDWIS-HAQNSBGRSA-N	236.380	4.537	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H](C)CCC	1990813977	MMBHTNPSDARLQI-CABCVRRESA-N	227.436	4.713	0	10	BJAE	
CCCCCCC(=O)C[C@H]1C[C@H]1C(C)(C)C	1993067040	QINBZKJVKUCRHI-GXTWGEPZSA-N	224.388	4.598	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1C[C@H]1CCC	1993068391	DFYUFUFMCPLTEJ-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1cc(C)cs1	1995261004	AGKYVWPPJJLMFM-YPMHNXCESA-N	239.428	4.663	0	10	BJAE	
C[C@H](CN(C)[C@H]1CCCC(C)(C)C1)C(C)(C)C	1995835668	OCCASUUFUWTQJP-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCCCC[C@@H]1CC	1996616907	OXDOMHCUKXXRSU-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@H](NC1CCCCCCC1)C1CC(C)(C)C1	1998646138	QBJSMHIPAVHUSG-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)[C@H]1CCCC(C)(C)C1	2000041266	KLEPGAXRTXFSCJ-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H]([C@H]1CCCC(C)(C)C1)C(C)(C)C	2000050131	DHSBWQJWOCYBII-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](NCC)[C@@H](C)[C@@H](C)CC)CCC1	2000376194	KSRZMUXSBGSCGW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCC(C)C)C(CC)CC	2000515124	PWPHCQYBAGWDST-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCC[C@](O)(C[C@@H]1CC12CCCC2)C(C)(C)C	2001258315	DMTBFYDUGHICTC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@]1(O)CCCCC12CCCCC2	2001597857	YDNUHGDEBUWHKH-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@](C)(N)C2CCCCC2)C1	2002921373	NRRIZPUYKNQADQ-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@@H](CC)[C@@H]1C	2004713109	WNMPCVALTXHLOE-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@@H]2CC[C@H]21	2004806080	IYKBBHASTKVQSI-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
C=C=CCC[C@@](CC)(CNC(C)(C)C)C(C)C	2012424764	GJDGSXGVWWWPPW-INIZCTEOSA-N	237.431	4.548	0	10	BJAE	
CC(=O)c1cscc1-c1ccccc1C(C)C	2013666151	FFVAOTXRSFGSCY-UHFFFAOYSA-N	244.359	4.741	0	10	BJAE	
CCC1([C@@H](N)CC(C(C)C)C(C)C)CCCC1	2015283594	GCWLKONGDDBIIF-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(CC[C@](C)(N)C1CCCC1)C(C)C	2015359234	CHGWBOLSVJTBMS-INIZCTEOSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)C1(C)CCCC1	2016142637	AQBQNNREDYGSBL-HUUCEWRRSA-N	237.431	4.680	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)c1ccc2sccc2c1	2016409932	GLZMWQSLMDZSGO-MEBBXXQBSA-N	244.359	4.520	0	10	BJAE	
CCC(C)(C)CC(=O)CC1(C(C)(C)C)CCC1	2017125169	KDYKCYOEWQQAFS-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@@](O)(CC)C1=CCCCCCC1	2018133883	JHCVFYVKKKLRPU-INIZCTEOSA-N	238.415	4.988	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1C[C@H](C(C)(C)C)C1	2018134205	MOGDMNOWIZWTTE-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@H]1CCCC(C)(C)C1	2018187771	IAOGHRMDTRFDKN-GJZGRUSLSA-N	239.447	4.856	0	10	BJAE	
CC(C)CCCCCN(C)CCC[C@H]1C[C@H]1C	2019342241	KEHGUUYFQGYUQS-CVEARBPZSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](O)CCC2(C)CC2)C1	2024121230	CFWGYVUADOWSRF-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@@H](NCC2CCCCCCC2)C1	2025588590	VGDYHJLFAHEONH-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)[C@H](C)CC(C)C	2026164309	RRWCFTUQSJTCLR-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCC(N[C@H]1CCCC(C)(C)C1)(C1CC1)C1CC1	2026992569	XSLRWVAFLHPJBU-HNNXBMFYSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)C1CC1	2027627633	KKHQAEWVRDECAC-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@H]1CCCC12CCCC2	2027805740	UUIHIMWKWNXMKG-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
COc1ccc2ccn(C3CCCCCC3)c2c1	2028328413	LDBFSGOWFXJNFL-UHFFFAOYSA-N	243.350	4.545	0	10	BJAE	
O=C(CC1=CCCCC1)c1cccc(C2CC2)c1	2028558292	VLILMNCVWRHLBV-UHFFFAOYSA-N	240.346	4.637	0	10	BJAE	
C[C@@H]1CCCC[C@H]1NCC1(C2CCCCC2)CC1	2029745151	URBRXTPCUUVOBX-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(CC(=O)[C@]23CCCC[C@@H]2CCC3)C1	2031855585	QAGFQAYXENGVBS-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)C(C)(C)C2CCCC2)c1	2032275040	ZWZBFBPIVFFUDA-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CC1(CCN[C@H]2C[C@H]3CC[C@H](C3)C2)CCCCC1	2033212247	ILCVHOGOIHQHJO-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H]1CCCC[C@@H]1C1CC1	2035414610	XHYKMFXWDRDCIN-NCOADZHNSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)C1(CC)CCCC1	2035577406	YQJUYVQLBBJRFQ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@]1(N)CCC2(CCCC2)C1	2037177985	JDGBEFATEVCOOT-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@]2(CNC(C)(C)C)CC=CCC2)C1	2037705339	UTVJQWJVDNZWJS-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1)C1(CC)CCC1	2039720249	POXFDDKEAMVWOO-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC12CC2)C1CCC(C)(C)CC1	2040639857	YMCZSFUFZYTNKZ-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CCc1ccccc1OC[C@@H]1CCC=CCCC1	2045311214	IPEUCEVAPRCBSM-OAHLLOKOSA-N	244.378	4.764	0	10	BJAE	
CC1(C)C[C@]1(C)CNC1CC2(CCCCCC2)C1	2046231780	MWMDCLIMDWXIAZ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@@H]1CC12CCCC2	2047031671	ZHZPMRXDIFVPTJ-LZWOXQAQSA-N	246.394	4.518	0	10	BJAE	
CC[C@](N)(C[C@@H]1CC12CCCCC2)[C@H]1CC1(C)C	2047059691	RVKBLHBKDJTWCS-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@H]1[C@H]2CCCCC[C@H]21	2048447042	PNDYNHYUABYHKE-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC([C@]2(N)CCCCC23CCC3)C1	2048620347	BCTVMBITTDYCGI-MQBCKMQZSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H]2CC[C@H](C)CC2)cc1	2049683249	CLTFIZSHMQZJBF-FRFSOERESA-N	246.394	4.670	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)C[C@H]1CCC2(CC2)C1	2049930666	ANWWXTQQGOPJID-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1[C@H](O)C1(C)CCCCCCC1	2052480644	OTMYYCHEHMQKAA-INIZCTEOSA-N	246.394	4.779	0	10	BJAE	
CC1(CN[C@H]2C=CCCCCC2)CCCCCC1	2052512192	DSCIKSKEIWQMSR-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)C[C@@H]1C=CCCCC1	2053402293	WQUHDDSTWLNJSY-WBVHZDCISA-N	249.442	4.668	0	10	BJAE	
CN[C@@H](CC1(C)CCC1)[C@@H]1CCCCC12CCC2	2053413051	SAAKUQCVXIGKLI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@H](N)[C@@H]2C[C@@H]3CCCCCC[C@H]32)CC1	2059177435	JMDVZDZNPAUJMJ-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CC=CCCCN1CCCC[C@@H]1C1CCCCC1	2059203946	PTISZFVCNFDCCO-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
CC=CCCCC[C@@H](NCC)c1ccc(C)cc1	2059246735	HHYQISNCOSUKTC-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
C/C=C/CCCCC[C@@H](NCC)c1ccccc1	2059253336	PRXRTYGLKWHEOY-NJELEJDNSA-N	245.410	4.864	0	10	BJAE	
CCCCC1CC(N[C@@H](C)c2cccc(C)c2)C1	2059394075	PUFMEVYPUABBFW-UQPPLGOBSA-N	245.410	4.614	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@H]1CCCCC1(C)C	2061561664	ULYDVLWETKNSCU-HZPDHXFCSA-N	249.442	4.692	0	10	BJAE	
CC1(C)CCC(C[C@H](N)C[C@@]23CCC[C@H]2C3)CC1	2061620692	ABLFNCPHPVHOCT-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCN[C@@H]1CCCCCC12CC2	2062017161	MVBDKQXGZZXHPQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC23CCC(CC2)CC3)C1	2065340239	UDPBOJCMZYYMJW-VXLLPVPCSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cccc(CC2CC(=C3CCC3)C2)n1	2066356162	GOLCJXMYRLAXOG-UHFFFAOYSA-N	241.378	4.638	0	10	BJAE	
CC(C)c1cccc([C@](C)(N)C2(C)CCCC2)c1	2067529002	CNOFDTHIHOALRG-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)C)c1ccc(C(C)C)cc1	2068816556	HZHPONSABNVXQW-PBHICJAKSA-N	247.426	4.753	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C[C@H]1CC12CCC2	2069176369	FKZXXFUGLSDRGF-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)C[C@@H]3CCCC[C@H]32)CCC1	2071941119	PZRGIZKLHMQBTL-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
Cc1cc(NCC2(C(C)(C)C)CCC2)ccc1F	2071952887	HLHPROVCJHSZLJ-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
C[C@@H]1CC[C@H](N2CCC[C@@H]2C2CCCCCC2)C1	2071964646	LDPPWEQWZHFFCW-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
CCCC1CCC(C=C(C)[C@H]2CCCNC2)CC1	2072816226	SNRWATPXFDCNCG-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@]12CCCC[C@H]1C2	2074029653	OSYMOUDQFIFVRU-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@]1(C)C=CCCC1	2074642770	YDDWEUUDZYRUGG-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(N(C)[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1	2074802751	SFFNZVPSWKVMBE-CKEIUWERSA-N	245.410	4.510	0	10	BJAE	
CN([C@H]1C=CCCCCC1)[C@@H]1CCCC(C)(C)C1	2074809412	KCDCNOPPNVIDSW-JKSUJKDBSA-N	249.442	4.776	0	10	BJAE	
CC1(C)CCC[C@@H](CC2CCC3(CC2)CC3)[C@H]1N	2076396403	UDQQBSCWOBJTQK-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCCCN(Cc1ccccc1C)C1CCCC1	2076586882	RBNVPZGUBFYBPR-UHFFFAOYSA-N	245.410	4.540	0	10	BJAE	
CC=C(CC)[C@H](NC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2077189450	IFXLWEJHLICEBS-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H]1C[C@@H]1C1CCCCC1	2079434144	FDGXSGWKTIDWEQ-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1C[C@@H]1C1CCCC1	2079436140	SOWLOXKDMILRBQ-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C1CC2(CCCCC2)C1	2079841465	IZRBRSFMDOLYPW-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1C[C@@H]1c1ccccc1	2079852446	QMACQYBYRWMPIY-DOTOQJQBSA-N	244.378	4.576	0	10	BJAE	
CCN[C@H](C=C1CCC1)c1ccc(C(C)C)cc1	2080254874	GWUKVIBVRRDRQL-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H]1[C@H]2CCCC[C@H]21	2081779504	GORAUSMRIDRYKB-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)C[C@@H](C)CC(C)C)c1	2082943166	YOJAULLTFUHAGP-SJCJKPOMSA-N	248.410	4.718	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2[C@H]3CCCCC[C@H]23)C1	2083040211	CQADPADBPBVAFB-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CC2(F)CCC2)cc1	2084693505	RXNCUQWDIRATKN-LBPRGKRZSA-N	248.341	4.665	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213290777	UTKUKUDLUHNBGH-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
C(=Cc1ccccc1)Cc1sccc1C1CC1	2213824612	ITCCIYCDEDDELV-UHFFFAOYSA-N	240.371	4.881	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@H]2CCCC2(C)C)C1	2215434471	SBSSWYPYDYYXPW-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](CC(C)C)NCC)CC1	2216286650	WXTWGAXDEZMWPS-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CN[C@H](C)CC)C1CCCCC1	2217154199	RNMBAKSFCWVGFC-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218329206	BEBWGIZAMBPAIM-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218359594	SPDVUMBCOQAPNZ-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@@]1(C)C=CCCC1	2220027775	LKISCBMYCXRXFX-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@H]1C[C@@H]1C1CCCCC1	2220043662	BAKBIPOEBCVKAQ-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CN(C)[C@@H]2C=CCCCC2)CC1	2221603051	TXJTUAWDVITMAY-SJORKVTESA-N	247.426	4.554	0	10	BJAE	
CNC[C@]1(C[C@H]2CC[C@H](C)CC2)CC=C(C)CC1	2221666086	PMMMKQMZVJBWIV-DJIMGWMZSA-N	249.442	4.539	0	10	BJAE	
CCCNC[C@]1(C2CC(CC)C2)CC=C(C)CC1	2221668076	NVOPZIYZQBKTQW-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
C(CCCCCCC1CC1)=C1CCCNC12CC2	2223133708	YVSVVXUKSINJMW-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C(CCCNC1C[C@H]2CC[C@@H]2C1)CCCC1CC1	2223158771	LIMSVXIVXIHZTD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NCC1([C@@H]2CCC(C)(C)C2)CC=CC1	2223554549	YMJBBSSLQVFCCI-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC(C)(C)CC)NCC	2244780997	HZAGDPQRWMXZTC-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)C(=O)CC[C@@H](C)CCCC(C)C	2244838794	WDXDMWKLQZFHHJ-KBPBESRZSA-N	226.404	4.844	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](O)CC(C)C	2244840490	JXXQESNEPHROFM-HUUCEWRRSA-N	228.420	4.636	0	10	BJAE	
CC1CC(C)(C[C@]2(N)CCCCCC2(C)C)C1	2246540102	OZVBLTAWJHEZKU-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCC(=O)C2CCCC2)C1	2246694403	PSVTVGJTCNRBJP-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)C[C@H](CC[C@@H]1CCC[C@H](C)C1)NC	2246732555	LXWKRBJLMSZVLD-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H]1CCCCCCC[C@H]1O	2247309707	WTLNREAYPRMOSF-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@@H]1CCC1(C)C	2247310391	ZILVIKPTPATEJR-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCNCC(C)(C)CCCCC[C@H]1C[C@H]1C	2248839648	CZUIYFFXKSVSBV-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCN(CC[C@@H](C)CCCC(C)C)C(C)C	2250467023	MQEDIYLJVCCOEZ-INIZCTEOSA-N	241.463	4.959	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc2ccsc2c1	2253058354	CYIISNVXZHHVDE-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](O)c1ccc2ccsc2c1	2253085292	BTVGOMYZRKRYOJ-IAQYHMDHSA-N	248.391	4.617	0	10	BJAE	
CC1CC(C)(C[C@@H](N)C2(C)CCC3(CC3)CC2)C1	2253692125	WHDRZEYMZUZDJP-SHARSMKWSA-N	249.442	4.501	0	10	BJAE	
CC1CC(C)(C[C@@H]2C[C@@H](C)Nc3ccccc32)C1	2253753113	OTMOZQKHELXLAE-DLOXAQCQSA-N	243.394	4.801	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2C[C@H]3CCC[C@@H]32)C1	2253936744	FTUZAGSQJJSKLJ-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CC[C@H]3CC[C@H]2C3)C1	2253937543	IZBBJCTYAAFITN-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@@](N)(CC2CC3(CCCC3)C2)CCC1	2254110610	VBWREJYKGVXMPJ-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
Cc1cc2ccccc2n1CCCC[C@@H]1C[C@H]1C	2254535679	FKPQJQVTTWDELZ-UKRRQHHQSA-N	241.378	4.776	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)C[C@H]1CCC12CCC2	2255027291	KWHRCLAIOVTWNB-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCCC12CC2)C1CCCC1	2255277943	JOXHGGOJIONZRZ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc([C@H](CCC=C(C)C)NC)cc1	2256301011	IZGPLRKQQYMFPN-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
C[C@H](N[C@@H](C)C1(C)CCCCC1)[C@H]1CC12CCC2	2256427211	RZWGLXLVZBWXOX-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC=C1CCN[C@H]1C(C)(C)C	2257242157	SCILCEMPPNBZJN-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccc(C2(C)CC2)cc1	2259457420	GUOZPNQQKYVTMA-XJKSGUPXSA-N	245.410	4.564	0	10	BJAE	
C[C@H](C[C@@]12CCCC[C@@H]1CC2)C1CCC(N)CC1	2260659573	XGPSMYBQAUQOOK-PRXYFPRHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@]1(C)C(=O)c1cccc(C2CCCC2)c1	2260726809	HCJBWIPIBKQNMC-PXAZEXFGSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CC=CC[C@]1(N)CC1CC(CC(C)(C)C)C1	2261299131	HCNDQTZTVIFVNE-VXTDNTOSSA-N	249.442	4.523	0	10	BJAE	
Cc1cccc2c1ccn2[C@H](C)CC1CCC1	2298935227	GTJSLJJRLKDZCK-CYBMUJFWSA-N	227.351	4.701	0	10	BJAE	
CCC(CC)CCC1(O)C[C@H]2CCCC[C@@H]2C1	2300688104	KFOQFHMIRNHSGA-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
c1sc(CC2CCCCC2)nc1CC1CCC1	2302256772	FPFQBPOLHCARKK-UHFFFAOYSA-N	249.423	4.609	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@@H]1CC[C@H]1C(C)(C)C	2303410498	MZONWHUYJJLZOY-MGPQQGTHSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@]1(CNCCC)CCC(C)=C(C)C1	2303480225	IDPVKBPHWSCISS-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H](C)c2cccs2)CC1	2303593717	ZXJWKAMWDCBSMF-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CCC[C@H](CC)CN(CC)c1ccc(C)cc1	2307760712	KIACRESKYIJJLA-HNNXBMFYSA-N	233.399	4.648	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1(C)CC2(CCC2)C1	2307901337	YIZYBNGOGGMCGL-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)[C@@H]1CC[C@H]1C(C)(C)C	2307904650	UEVZJQOCQCZUOZ-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1(C)C(C)(C)C1(C)C	2307906037	BJKAZADFLGLVEH-STQMWFEESA-N	240.431	4.636	0	10	BJAE	
N[C@H](CCC1CCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309181484	BBKDAYXWGHBJJO-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(N[C@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2309185021	PQACRHMNHFNHEQ-LZYVMWMOSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CC[C@@H]3C[C@@H]3C2)CC1	2311022255	JHVHTNHZATVITD-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@H](C)c1ccccc1	2316504118	SSJDVBSQDHYNJC-WBVHZDCISA-N	245.410	4.515	0	10	BJAE	
C(=C1CNC2(CCCCC2)C1)C1CCCCCC1	2316884079	KCMWTRMAWASZES-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@H](C)[C@H](C)C(C)C	2317836311	ULHBEASXBBZGMC-JKIFEVAISA-N	248.410	4.772	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CNCCCC1=CCCCC1	2318523286	DQEVSIUTPBZEOG-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
C[C@](N)(CCCC1=CCCCC1)CC1CCCC1	2318549411	WGXAASAPLVKGOR-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)CCCC1=CCCCC1	2318581188	UACHFOQAGQNMSQ-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CC(=C[C@@H]1CC[C@@H]1C(C)(C)C)c1cccc(N)c1	2320239667	GIUJNNOKCPPBJR-HOCLYGCPSA-N	243.394	4.744	0	10	BJAE	
Cc1cccc(F)c1NC[C@@H]1CC[C@@H]1C(C)(C)C	2320320545	PDSVVVUDAKMXGO-STQMWFEESA-N	249.373	4.618	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](C[C@@H]1CCC(C)=C(C)C1)NC	2320326934	IWNGOVSDWMCIBW-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](N(C)C[C@H]2CCC(C)=C(C)C2)C1	2320390935	ORUXMMAHKWAGJR-IKGGRYGDSA-N	249.442	4.633	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)c1cccc(C(C)C)c1	2320518608	REIIVKRVXGDIDQ-WMLDXEAASA-N	247.426	4.882	0	10	BJAE	
CCNC[C@]1(CC[C@H]2CCC(C)(C)C2)C=CCC1	2321628175	PQOJONOPBNXEQZ-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CNCC)c1ccccc1	2328198070	YXNOFUBOTLLDCG-NVXWUHKLSA-N	247.426	4.596	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)CCCC(C)C)cc1	20004025	KORLJVQRWNLNOJ-JKSUJKDBSA-N	247.426	4.860	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](CC(C)C)NC)cc1	35469187	UGDJORAQPGYPLQ-BBRMVZONSA-N	233.399	4.507	0	10	BJAE	
CC1CCC(Nc2ccc3sccc3c2)CC1	36975818	MUIYCOLMFRZRGK-UHFFFAOYSA-N	245.391	4.892	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)c1occc1C	50328678	TVFQYQPGYKJVCF-OAHLLOKOSA-N	247.382	4.519	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cc(F)ccc2C)C1	71105833	FOCGCUJAWZEKFD-TZMCWYRMSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@@H](C)NC(CC(C)C)CC(C)C	71106343	LDAOPNSQGSLGDI-CQSZACIVSA-N	227.436	4.616	0	10	BJAE	
C[C@@H](c1ccccc1)c1ccc2c(c1)CCCC2	75841847	ATZAQOQMJXMCHK-AWEZNQCLSA-N	236.358	4.717	0	10	BJAE	
CCCCC[C@@H](N)c1ccc(C)c2ccccc12	79904501	QGGXJGDPNNHMSA-QGZVFWFLSA-N	241.378	4.728	0	10	BJAE	
CCCCCCC1(CN)CCC(C)(C)CC1	83778492	JLEMVKFRZLNYJI-UHFFFAOYSA-N	225.420	4.502	0	10	BJAE	
CCN[C@H](C)CC(C)(C)[C@@H]1CCCC[C@H]1CC	84416603	LZUVQWLWRPLOSB-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](C)(O)[C@@H]1CCCC[C@@H]1CC	87649041	FCABACLTKVRGQH-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
[C-]#[N+]c1c(Cl)cc(C(F)(F)F)cc1Cl	104899398	NWQLBLVPDROPEU-UHFFFAOYSA-N	240.011	4.563	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCC)C[C@H]1CC(C)C	109665134	GDVOUUOJMOQUFK-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1ccc2ccccc2c1)[C@H](C)CC	111274930	URVFVQFHVUERIE-DYVFJYSZSA-N	241.378	4.537	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2CC1CCCCC1	111754104	UBNMZPZQLSSQSO-AWEZNQCLSA-N	229.367	4.556	0	10	BJAE	
N[C@@H](CC1CCCC1)c1ccc(C2CCC2)cc1	128808787	FTJFUVWJDSBZNF-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@H]1CCC(C)C	135186915	JADGZGHQCKRTKW-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C1CCCCCCC1)[C@H](C)CC	159113898	ZHOXCNBABCFXKY-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CNC[C@H](C1=CCCCC1)C1CCCC1	161468760	XAGLYZUXUXCYMX-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)(C)C)C(C)(C)C	164680352	QQKAVJPIDFMFMH-HNNXBMFYSA-N	247.426	4.681	0	10	BJAE	
CCCN[C@@H](CCC)c1ccccc1C(C)(C)C	167354862	MKNMWOOBVYRNDP-INIZCTEOSA-N	247.426	4.825	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCCC[C@H]1CC	168340944	OFPFQISVHTXDEY-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
CCCN(CCC)CC[C@H](C)CCCC(C)C	196383903	XFLGMKAEODGVHQ-MRXNPFEDSA-N	241.463	4.961	0	10	BJAE	
CC(C)c1ccc([C@H](N)C2=CCCCCC2)cc1	203422510	BPPOMRUXUXWTDO-QGZVFWFLSA-N	243.394	4.700	0	10	BJAE	
CC(C)=CCC/C(C)=C\COc1ccccc1	204073850	OSNYSUVPOZLCFR-QINSGFPZSA-N	230.351	4.758	0	10	BJAE	
CC[C@@H](C)CCCCCCC/C=C\CC(=O)O	205340862	RDHKSDZLNKRQSK-RBJHHQRMSA-N	240.387	4.794	0	10	BJAE	
CCCC[C@H](CC)CC1(N)C[C@H](C)C[C@@H](C)C1	219633608	IOVLNIKWSMFHQK-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CCCCCCC(=O)c1ccccc1CCC	223029896	QEGVUOAHBVQXGR-UHFFFAOYSA-N	232.367	4.792	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)[C@@H]1CCCCC1(C)C	226825727	CNDUREMSCQMIAX-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C[C@@H](C)C(C)(C)C	229153988	YIBYAMCXEXSCTR-UKRRQHHQSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2(C)CCCCC2)C1	234110903	PQUAWXYGOYWNRW-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@H](CC1CCCCC1)CN2	235983500	LNVSCEZWXONPKD-OAHLLOKOSA-N	243.394	4.783	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1CCCC1(C)C	300288509	SZAKSMVOZKDZAK-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2/C=C/CCCCC2)c1	305939531	FSNQFFGIGYHFOL-PMGBHYCQSA-N	229.367	4.604	0	10	BJAE	
CC(C)CC[C@@H](N[C@@H](C)c1ccccc1)C1CC1	306075415	YXOUKNWQMBHJRZ-WMLDXEAASA-N	245.410	4.552	0	10	BJAE	
CSc1cc(Cl)c2c(C)csc2c1	306953386	MNQNVMZQQMCOGD-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)CC1CCCC1	309990419	MCPRPYBYMYOTTK-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CCC2(C)C)cc1	310062862	AGLTZPMUFYRSRI-CQSZACIVSA-N	231.383	4.585	0	10	BJAE	
C[C@H](C[C@@H](N)CCC(C)(C)C)C1CCCCC1	310340930	NZBWLRDSPSUETK-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CC1(C[C@H](O)c2ccc(C(C)(C)C)cc2)CCC1	310785433	CNQDGCXIWLZFOQ-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCC1(C[C@@H](NC)c2c(C)cccc2C)CCC1	311006428	WIBLMYUPIXODCJ-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1ccc(Cl)cc1C	320228468	UTXLDKRLHPKFHB-KOLCDFICSA-N	238.758	4.513	0	10	BJAE	
CCN[C@H](CCCC(C)C)c1csc(C)c1	381439399	XZFZKUYGKHGSQK-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@@](CC)(CC1(CC)CCC1)C(=O)O	383937938	UNWDGNVDNVYLQM-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CCCCCC[C@H](O)c1ccc2sccc2c1	386663440	TVTRZUOYXDDAAX-AWEZNQCLSA-N	248.391	4.905	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@@H]1C[C@@H]1CC	387747372	OTGIEVQXXOECAN-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCC1(CC(C)C)CC1	391831681	PVBZSLKKJZNNJL-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@H](C)CCC1CCC(C)(C)CC1	393846058	LCHOTLKWARPCEM-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@H](C)CCC1CCC(C)(C)CC1	393846059	LCHOTLKWARPCEM-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)CC[C@@H]1CCc2ccccc2N1	394081181	QFGGVRPWYKAXOH-UKRRQHHQSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H](C)CCN[C@@H](C)c1cc2ccccc2o1	394425827	QZHFTWDZYDFDNS-OLZOCXBDSA-N	245.366	4.520	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2CCCC[C@@H]2C)c1	394878690	HEXPJNQEOXLSJN-ZFWWWQNUSA-N	231.383	4.542	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)[C@@H]1C[C@H]1CC(C)C	395631857	PYKQNJLKWISUDX-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](Nc1ccc(C)c(F)c1)[C@@H]1CC1(C)C	397784056	OXDKHYGBFBIQSC-ZFWWWQNUSA-N	249.373	4.761	0	10	BJAE	
C[C@H]1CCCC[C@]1(CCC1CCC1)CNC1CC1	398679929	XGYFLEWNSKTTPS-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CCC1)[C@@H](C)CCC	398746394	YSOVOEMIFNNXQB-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@H]1CC=CCC1)C1(C)CCCCC1	402141230	JCDHKSJEOYTGEQ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1CC=CCC1)NCC	402317417	KJOPFYHTCNQPML-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)C1CCCC1	688356408	NCZKPNHYVSJNFL-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CSc1cccc(N[C@H]2CCCCC[C@@H]2C)c1	691104202	OMUIJXAIDTXEQN-WFASDCNBSA-N	249.423	4.789	0	10	BJAE	
CC(C)CC1(C(=O)CC2C[C@H]3C[C@@H]3C2)CCCC1	698118923	YRWXJESVSQLEOE-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)[C@H](O)C1CC(C)(C)CC(C)(C)C1	701067715	GWJSPKBOVPXATJ-CYBMUJFWSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C(C)(CC)CC	701165407	GMNCCZXTJGVFED-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@@]1(C)C[C@H]1C	704382842	NBYLDFWTTQMDGM-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CN[C@H](c1ccc(C)c(C)c1)[C@H](C)CC(C)(C)C	704728049	KBRGZFYUNQGHSN-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
CCC[C@](N)(CCCC(C)C)C1CCCC1	704955380	ZWFGBACWLCNBCV-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)C1CCCCCC1	704960721	YYGILFGPDPFKEZ-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C(C)C)C2CC2)c1	705310012	KIFGSMXTAVMIBE-QGZVFWFLSA-N	245.410	4.658	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]21)C1CCCCC1	707832301	GDGUFOKEDJPIFP-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@H](C)[C@H](C)C[C@H](C)CC(C)(C)C	709085487	XMBXQMSDSGWQNZ-ZNMIVQPWSA-N	241.463	4.721	0	10	BJAE	
CN[C@@H](CC[C@H](C)CC(C)(C)C)c1ccccc1	709101761	CVQFYTIYFKWDCG-HOCLYGCPSA-N	247.426	4.800	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CCC(C)(C)C1	709194962	AABNCTJAPWUTDM-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1cscc1Cl	710472124	GDXXBMOZMHZHKT-JOYOIKCWSA-N	245.819	4.618	0	10	BJAE	
Cc1ccc(C)c([C@H](C)Nc2csc(C)c2)c1	710710052	HFJDGGVBVGGKNO-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CC[C@H](CC(=O)c1ccc(C)c(C)c1)C(C)(C)C	711092423	FKUKTYPUXDFXTL-OAHLLOKOSA-N	246.394	4.949	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CCC[C@@H](C2CC2)C1	712534927	SOXCDAKSCBBVFW-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@H](CNC)C1CCCCCC1	713154088	RSBVFGGXQAMNJK-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC(C)(C)C(C)C	713191594	RBFNRUGOKZXZHD-AWEZNQCLSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)CC1(O)CCC(C2CCC2)CC1	713212397	VJUDFWLJDWSYBO-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)N[C@@H]1CC[C@@H]2CCCC[C@@H]21	714303390	JFXGTLOKSWDIOP-CWRNSKLLSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H](C)C(C)(C)C	718527432	MOICVBYXDBBVTF-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCOC2(CCCC2)C1	718668159	JOLJDEZSPNIJQC-OAHLLOKOSA-N	236.399	4.862	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](O)C2(C)CCC2)cc1	720723295	MHBDNKFJRVXEQE-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@@H]1C[C@H]1CC)NCC	723071520	SBFMMHWHNXAORZ-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)Sc1ccccc1C	1643656103	HVWCSQDXODFSGO-JQWIXIFHSA-N	208.370	4.522	0	10	BJAE	
CN(CCC(C)(C)C)c1ccc(C(C)(C)C)cc1	1644391472	DKNPVCDLRIXSSM-UHFFFAOYSA-N	247.426	4.857	0	10	BJAE	
CCC[C@H](NC[C@H]1CCC=CCCC1)C1CCC1	1665881242	SSFKMVHFYZOIOI-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H](C)N[C@H]1CCCCC12CCCCC2	1875414878	RWHLOKYXNDMGKO-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C(=O)CCC(CC)CC)CCC1	1900715960	GIPLEUCDKZUMKX-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H](CC)CCC	1905454193	PNPOPXMCUDDGIO-UKRRQHHQSA-N	227.436	4.747	0	10	BJAE	
CCC=CC[C@@H](CC)c1cc(F)ccc1F	1912081108	NTJUWARPGGBNRM-LLVKDONJSA-N	224.294	4.815	0	10	BJAE	
CC=C[C@@H](NCCC)c1ccccc1C(C)(C)C	1912092861	WDTQCIVHKNAPNT-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
C[C@H](CC(=O)C1CC2(CCCC2)C1)C(C)(C)C	1912659199	PXYWUSBGNWXZEO-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
Cc1c(Cl)cccc1NC1CC2(CCCC2)C1	1912720745	LVAJSZRXJKCQLC-UHFFFAOYSA-N	249.785	4.783	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1919486546	VKWYEIJGXQRHIB-FXUDXRNXSA-N	240.431	4.780	0	10	BJAE	
CCCC1CC([C@@H](NCC)C2=CCCCCC2)C1	1921177935	YRZRBWPBOQHMJG-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)CC1(C)CCCC1	1924123906	GMOYVRFCFXZRRA-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
NC[C@H]1CCCC2(CCC2)[C@@H]1CCC1CCCC1	1924834145	AWRIBXIDJLDUND-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1C=CCCCC1	1925762698	FSNBQZSCQUELCG-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
FC(F)(F)CCCC[C@H]1C=CCCCC1	1925821130	TVYXQBCNTALIGB-NSHDSACASA-N	220.278	4.856	0	10	BJAE	
CC(F)(F)CCCC[C@@H]1C=CCCCC1	1925874967	QYBDEXIWNPRGFB-GFCCVEGCSA-N	216.315	4.948	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@H]1CCCC1(C)C	1940879368	YVWPLJIKGFVVDF-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1CCCCCCCCCC[C@H]1F	1942039178	OAJMQXAMRGSURA-HUUCEWRRSA-N	243.410	4.607	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)C1CCCCCCC1	1942656354	CZCBLLRTPMKZCW-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C(=O)CCCC1CC1)C1CCCCC1	1944639548	GKXKHQNMBYWHHJ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(N[C@@H](C)[C@H](C)CC(C)C)c(F)c1	1948328878	WWYRUOLHMZNZSK-OLZOCXBDSA-N	237.362	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC1(CN)CC(C)(CC)C1	1948404832	DVRLWNXWJXHXFD-QQFBHYJXSA-N	239.447	4.748	0	10	BJAE	
CC(C)(C)[C@H](N)CC[C@H]1CCC2(CCCC2)C1	1949551825	NBLRZAKFHZKHNP-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H]1CCC(C)(C)[C@H](NCCC)C1	1949654056	PWDUVIZZQSNJCS-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(CCC2(CO)CCCC2)CC1	1950364336	MUBAXQLEFVUVBP-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1CC12CCCCC2	1950660077	XPIZOALZFVQXBE-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CC(C)(C)C)[C@@H]1CCCC(C)(C)CC1	1950919046	MTJMUZGYDLITPQ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)NC[C@H]1CCCC(C)(C)CC1	1950921744	ITLJKBXEYRTUKS-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)C)C1(CC)CCC1	1951237767	CUDDCMMSSCZZKP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@H](C[C@H](C)CC(C)(C)C)NC)CCC1	1951245446	SZKIIXUBXHNZKJ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC=CCCc1ccc(OCC(C)C)cc1C	1951309030	SPCKZTGSJWZNMQ-UHFFFAOYSA-N	232.367	4.539	0	10	BJAE	
CCCC(C)(C)C(=O)c1cc(Cl)sc1C	1958148142	DXVHJCKEBCKGKG-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
C1CCC(CN2CC[C@H]2C2CCCCCC2)CC1	1967845639	SATLWBVGKVWCOB-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CC(C)c1ccccc1NCC1[C@@H]2CCCC[C@@H]12	1968298768	KGCGSZCMPSARFD-HUUCEWRRSA-N	243.394	4.658	0	10	BJAE	
CC[C@H](NC[C@H]1CCC2(CC2)C1)C1CCCCC1	1969164691	GPNARJWSMHVSAT-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(NC[C@H]2CCC(C)(C)C2)ccc1F	1971992723	TWCBCTAIUPVQFV-LBPRGKRZSA-N	249.373	4.626	0	10	BJAE	
CCc1ccc(NC[C@@H]2CCC3(CC3)C2)cc1C	1972019117	BMTMXTQNSYZTLM-CQSZACIVSA-N	243.394	4.550	0	10	BJAE	
CCc1nc(C2CCC(C)(C)CC2)c(C)s1	1975979998	QRZPIJOQGZYYNX-UHFFFAOYSA-N	237.412	4.698	0	10	BJAE	
Cc1cc(C)c(C(=O)CCCC2CCC2)s1	1978450898	YWCDAFLBNXKUOY-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCC[C@@](C)(CNCC(C)C)CC(C)=CCl	1978656411	VGLZTBHMWSRPAV-CQSZACIVSA-N	245.838	4.571	0	10	BJAE	
CCCC[C@H](CC)CCC(=O)c1cccs1	1980687437	MYEBQMQCPJOCPN-LBPRGKRZSA-N	238.396	4.927	0	10	BJAE	
CCCC(=O)CC1=CC[C@@H](C(C)(C)C)CC1	1985314158	XCWGWSFQYUYVCV-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)CCCCCC(C)C	1989273063	XMIRZLYEGMQEMS-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1cscc1C	1995254821	WTFDREVCLJOJEJ-BXUZGUMPSA-N	240.412	4.696	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)C1(C)CCCCC1	1995984625	BNMNWGWLOCWANJ-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CC[C@H]1CC[C@H](C)C1)NCCC	1996259347	GROZHTODIDERAY-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCNC[C@@H]1CCC=CCCC1	1999992600	WIPAWXNJWFTMKI-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](CC[C@H]1CCCC(C)(C)C1)NCC	2000161318	DTLJXDSWRXDJHL-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1(C)CCCCCC1	2000217842	CNEBRIJQRAHPEX-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCCCCC[C@H](NCC)C1(C(C)C)CCC1	2000373244	QGTCVRHRHJMAKE-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCCN(CCCC)CC(C)(C)C(C)(F)F	2000908043	ZNDBEOQELSZGQW-UHFFFAOYSA-N	249.389	4.570	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCCCCCC[C@@H]1O	2003115360	AGJDGXYCQUQYFG-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CN[C@H](CCCC1CCC1)CC1(C)CCCC1	2003184193	HJZBXKDOUHFSIP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(=O)[C@]1(C)C=CCCC1)CC(C)(C)C	2003333932	HZIVKKULRYQYDH-CZUORRHYSA-N	236.399	4.764	0	10	BJAE	
O=C(CC[C@@H]1CCC=CCCC1)c1cccs1	2003690416	LRJKKRRNFBCKEI-CYBMUJFWSA-N	248.391	4.848	0	10	BJAE	
CCC1(CC)CCC(N[C@H](C)C2(C)CC2)CC1	2004341575	LFMYADZGNPZACI-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(CN)CCCCC1(C)C	2005588728	HERJTLXRWKKEFV-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
CC=CCCC[C@]1(N)CCC[C@@H](C(C)C)CC1	2009569452	PAZCLWQVUMNWGC-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@H](NCCC)C1CC(C)(C)C1	2009597984	JGXGSPRSPYXSKC-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CCCC[C@@H]1C	2009616940	NMFQLZGLELDQLA-VTTDZUNHSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C1=CC[C@H](C)CC1	2010623948	KBOKKZCYSCJCSJ-BBRMVZONSA-N	237.431	4.537	0	10	BJAE	
CCCC(N)(CCC)C1=CC[C@H](C(C)C)CC1	2010741168	YFFAAMAFUJOFRE-AWEZNQCLSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)c2csc(C)c2C)CC1	2010769155	NZNXSTNGYKEQFP-SWLSCSKDSA-N	249.423	4.501	0	10	BJAE	
C=C=CCC[C@@H](C[C@@H](CC)C(C)(C)C)NCC	2010985053	KTHDPDZUBSJEHK-CABCVRRESA-N	237.431	4.548	0	10	BJAE	
C/C=C/CCCN[C@H]1CCCC[C@H]1C(C)(C)C	2011437938	KSPLJLNHNPRNGW-MUHKLVGJSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CC(C(C)C)C(C)C	2015273008	DZIIBKMACQCMGL-ZBFHGGJFSA-N	241.463	4.704	0	10	BJAE	
CC[C@H](CNC(C)(C)C)CC(C(C)C)C(C)C	2015409895	BCBQHKULZYORKN-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CC1(CCC)CCC1	2015640244	QBCAKOLBVBHELY-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCCC1(CSc2cccc(C)c2N)CCC1	2015641475	FPISJZRGUDBBGG-UHFFFAOYSA-N	249.423	4.640	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@H](C)CC(C)C)CCC1	2015645965	WCNZJPXOGINKBF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1(C(C)C)CCC1)C(CC)CC	2017149587	BSCJCOLEDYRLAR-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CO)C[C@H]1CC[C@H](CCC)CC1	2017713580	BGMFTXXPCPAGNM-BZUAXINKSA-N	240.431	4.782	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NC[C@H]1CC[C@H](CC)CC1	2017723517	UIWMBPVRXBSCIR-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H]1CCCC[C@@H]1CC	2020973283	DLERHSAMXUVTDG-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@H]1C[C@H]1CCC	2022482891	GLMWGUWBOTWVOK-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CCC[C@H](C)[C@@H]1C	2022999903	XWHPHOSVJMCATD-YHUYYLMFSA-N	239.447	4.568	0	10	BJAE	
CC(F)(F)CCCCC[C@@H](O)CC1CCCC1	2023305513	VUQIWGIHFVVGIU-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](C[C@@H]2CCCC(C)(C)C2)C1	2024091452	IQNZXGQQOQODNC-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2CC(C)(C)CCC2=O)C1	2024118448	NKUTVLQPLYUAHI-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)C[C@H]1CC=C(C)C	2024126798	YGYSRIIXFIQLKK-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@]12CCC[C@H]1C2	2026170644	REKMBHUNRZAKFT-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCc1ccc([C@@H](O)CC2(C)CCCCC2)cc1	2027310378	ADNGASVWOAJIOG-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](NC)c1ccccc1C(C)C	2027518756	VOWXICNIJUGLNM-ZQIUZPCESA-N	247.426	4.753	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)c1c(C)cc(C)cc1C	2028261099	GHNFUAIEPNNRST-NVXWUHKLSA-N	247.426	4.684	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@H]1C1CCCC1	2028466014	QBQLYFQOSMQSQJ-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](N)(c1ccccc1)[C@@H](C)CCC(C)C	2029825560	QNWQZFGFJXKYLL-DOTOQJQBSA-N	247.426	4.713	0	10	BJAE	
CC1(C)CCC[C@@]1(CCCC1CC1)CNC1CC1	2032112221	OQZDFUDIFIWXAL-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(NC[C@H]2CC[C@@H](F)C2)cc1	2032947821	KKLCYYAZQRNMJY-LSDHHAIUSA-N	249.373	4.579	0	10	BJAE	
CCCC1(CNC2(C3CCCC3)CCC2)CCC1	2033054770	BFDTXZZFJNRGNM-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCCC1CCC(N)(C[C@H]2C=CCCC2)CC1	2035595929	ZZIPWOVGRXKMSM-CGZBRXJRSA-N	249.442	4.811	0	10	BJAE	
C1=C(CCNC2CCCCCCCCC2)CCC1	2035891946	NUYQTNONZGKFPB-UHFFFAOYSA-N	249.442	4.970	0	10	BJAE	
CCCN[C@H](CC1CC2(CC2)C1)C1CCCCC1	2036754981	IIERNCMUUSOUBW-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CC2(CC2)C1)C1(C)CCCC1	2036755207	KIBIBGYCQUJBDN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(C2=CCCCCCC2)C1	2037074280	JAEIKRBDYQKHAZ-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@H](N)C2=CCCCCCC2)C1	2037074643	VNDWSLATORLJCE-IAOVAPTHSA-N	247.426	4.587	0	10	BJAE	
CC(C)=CCC[C@H](N)c1ccc(CC(C)C)cc1	2037147246	UOVNASDJKNGHEL-KRWDZBQOSA-N	245.410	4.631	0	10	BJAE	
CC[C@@](N)(CCC(C)=C(C)C)c1cccc(C)c1	2037168101	DTJUIZMSJUPGEN-QGZVFWFLSA-N	245.410	4.696	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)C[C@H]1C=CCCC1	2037307695	UVEZUYGXKJSRNJ-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC1CC2(CCC2)C1)CC1(C)CCC1	2037971940	HISRXPLXKJVZLB-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CCCC(C)(C)CC2)oc1C	2039357661	VAJOSDXWIGTYQF-ZDUSSCGKSA-N	248.366	4.686	0	10	BJAE	
CCCC[C@@H](CC)NC1CC2(C1)CC1(CCC1)C2	2039460405	PROMNFWUMRBBGL-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CC[C@@](N)(CC(C1CC1)C1CC1)C1CCCCC1	2040651260	QFGIOGPXZWEEMF-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)c2ccccc2C)CC1	2041374087	YFJKTSRJNHDCTA-HLLBOEOZSA-N	245.410	4.601	0	10	BJAE	
C[C@H](C[C@@]1(CNC(C)(C)C)CC=CCC1)C1CC1	2042092956	BFDRFRWXSSPHIN-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C[C@@H]1[C@@H](C)[C@H]1C	2043409136	ZWCQBFUKEHTYFR-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@H](C)C1CC(C)(C)C1)c1ccccc1	2043544738	UFXCEKAEXFRFRA-CJNGLKHVSA-N	245.410	4.552	0	10	BJAE	
N[C@H](CC1=CCCCC1)C[C@H]1CCC=CCCC1	2045324457	WCPMVQYRQJDXFC-RDJZCZTQSA-N	247.426	4.731	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@H]2CC23CCCC3)CC1	2047057294	ZVKVIGIQATXJFR-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2048368732	BPQXEWULXRDIDO-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC([C@@](C)(N)C[C@H]2C=CCC2)CC1	2049486154	ANLZTZSROLFJFT-XGHPGWEVSA-N	249.442	4.667	0	10	BJAE	
N[C@@H]1CCCCCC[C@@H]1C[C@H]1CC2CCC1CC2	2049677591	DXAOXVSEHJTUCB-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CCCC3(CC3)C2)CCCCC1	2049849644	RVFJEECNINHZPJ-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@H]1CCCC2(CC2)C1	2049955964	ZDWMFWLBMRXDJI-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)[C@@]1(C)C=CCCC1	2050009043	LANSEPDVNLNHKR-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
Cc1ccc([C@H](N)CCC2CCC=CCC2)cc1	2050428372	FDQBWBHUQSKKKB-QGZVFWFLSA-N	243.394	4.521	0	10	BJAE	
CN[C@@H](CCCCC(C)(C)C)c1cccc(C)c1	2050440249	GBHOFIYNDLWWNI-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CCCCC23CCC3)c1	2053360994	RZWPKSZUHSLLSQ-HNNXBMFYSA-N	242.362	4.538	0	10	BJAE	
C[C@@H]1C[C@H]([C@H]2CCCC[C@H]2F)Nc2ccccc21	2055185383	LWBOAOLPZLJTHK-UZMCECQYSA-N	247.357	4.503	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCC[C@@H]2C(C)C)cc1C	2056452178	QKBBZMKPKZHJHJ-HZPDHXFCSA-N	244.378	4.558	0	10	BJAE	
CCc1ccccc1C(=O)CC1CC(C(C)C)C1	2056674792	DMLPWLXFZQFVJB-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)C1(C)CC(C)(C)C1	2056875935	LRVIQBGSEVPAGU-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@H](C)C1CCC1	2056884033	ROQYAHLKHCWMFA-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCCC)c1ccc(F)cc1	2059225137	JYRUMGREWNGHQJ-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)C1(C)CCCC1	2060922405	RISRCRMCESKIEP-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCCC[C@H]2C(C)C)CC1	2061112265	DQCBQZLTFMIIKH-HYVNUMGLSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NCC[C@]12CCC[C@H]1C2	2061575125	OURYVMNYXARCCF-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)c(CC2CC(=C3CCC3)C2)c1F	2061728529	LFTRTPVDOPGKHV-UHFFFAOYSA-N	248.316	4.706	0	10	BJAE	
CCC(CC)(CC)CN(C)CC1CC(=C2CC2)C1	2061966876	MMFRAXXGNVIMCN-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C=CCCC1	2063414851	MLVXIYPQDQXMAQ-IVSAIRAKSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063426794	FHSMYLZHGDFUBV-YOWGUQMCSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1C[C@@H]2CCC[C@H]2C1)C1CCCCCC1	2063535656	LCCHDZOFZBJEGK-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063536202	PNAJYALDJTUMFE-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC([C@@](C)(N)CC23CCC(CC2)CC3)C1	2065340511	WVWGKDQYKDNKNR-PWZRNIHTSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@@]3(C)C[C@@H]23)cc1	2065658426	SOTRQAUDOUSMNT-BBWFWOEESA-N	243.394	4.630	0	10	BJAE	
C[C@@H](Nc1ccc2c(c1)CCC2)C1(C)CCCC1	2067508054	IFKPSAUORVQIGP-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
C1CCCCC(NC[C@H]2C[C@@H]3CC[C@@H]3C2)CCC1	2068724809	RQAXGPKKRIRAAE-PHZGNYQRSA-N	249.442	4.515	0	10	BJAE	
CCC1(CN2CCCC3(CCCC3)CC2)CCC1	2069325019	XWNAAFNGZFPNII-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@]2(C)C=CCC2)CCC1	2069343203	XCRYLNHJGFLOJO-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2069504443	ATTVDJUBNYAFOB-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C2(CC3CC3)CCC2)C1	2069515996	VFKCXSHFGUKYOF-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CN(C1CCCCCC1)C1CC(C2CCCC2)C1	2069607343	ACCLOFXEMJJFGH-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](CC(C)=C(C)C)c1ccccc1C	2072429264	MWTPDONSNRNMSK-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
C[C@H]1CC[C@H](C[C@]2(N)CCCC[C@@H]2C2CC2)CC1	2072797290	XYDSXQMDQMYUDM-MUIFIZLQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C[C@@H]2CCC[C@@H]3C[C@@H]23)CC1	2072871172	LSROMUVOFCWPRY-JGFGOLAASA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](COc2ccccc2C)CC1	2072881243	GKRGWCUMGYWQIA-WKILWMFISA-N	246.394	4.980	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@H]1CCC12CCCC2	2074794163	FZNXYVZMRYSFEZ-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CC=CCC12CCCC2	2074898045	ACSMPAUPVSJBEP-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1ccc(F)cc1C	2077188834	BETQVLGKCKHMRP-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
F[C@@H](CNc1ccccc1C1CC1)C1CCCC1	2077265471	UHXSSKSNQBJPIT-HNNXBMFYSA-N	247.357	4.504	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](NCC)C1=CCC(C)(C)CC1	2079442761	KKNCMRQGPGXOEB-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H]1C[C@H]1c1ccccc1	2079551766	AHLRSZIPJIMQOL-IKGGRYGDSA-N	246.394	4.512	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@H]2C2CCCC2)CCCCC1	2079870049	JDZOXDCRXOZWNA-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)CCC[C@@H]3CCCC[C@@H]32)C1	2081133063	OCUVOCIMZMNHNA-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1	2082980701	XJVQURIVORDKCZ-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
Cc1sc(C=O)c(C)c1C1=CCCCCC1	2210759954	DACOOBVDVVUNIW-UHFFFAOYSA-N	234.364	4.525	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2CC[C@@H]2C)CC1	2215090461	WJWOKJHSBZBWBE-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CC2(C)CC(C)(C)C2)CC1	2215389781	XEBDPZXHZVUGSQ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C2CCC(C)CC2)CC1	2215823352	ICJXXFDNXMVLGP-PXCJXSSVSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](O)(CCC2CCC2)C1	2216253936	WDNJIMVZGXOMRE-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CCCC(C)(F)F	2216265966	KDRZEWFWXKDHLZ-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CC[C@H](C)NC[C@@H](CCCC(C)C)C(C)(C)C	2217124096	DORAKODSBPFXCH-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)NC[C@H](CCCC(C)(C)C)C(C)C	2217151985	AKXOWNDMBPRETM-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CC[C@H](N2CCCC23CCC(C)(C)CC3)C1	2218032466	HYFFGUKSHRBGKE-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1CCC[C@H]2C[C@@H]21	2218726977	SPRSPNFRMIAYFJ-XHSDSOJGSA-N	248.410	4.742	0	10	BJAE	
CCc1occc1[C@H](N)CCCCCCC1CC1	2218733018	VNCQKUFGUVCRAQ-OAHLLOKOSA-N	249.398	4.592	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@H]1CC12CCCCC2	2220031389	UXTLRLVHOZXOGE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1ccncc1OCCCCCCCC1CC1	2223130700	PSBRVYPRWICUED-UHFFFAOYSA-N	247.382	4.519	0	10	BJAE	
CC[C@H](C)[C@]1(CNC2CCC2)CCC=CCCC1	2223556621	JVUDZAGVTRWJSX-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
O=C(CC1=CCCCC1)c1cccc2ccoc12	2224194467	RSWCFLGUGAFQAC-UHFFFAOYSA-N	240.302	4.506	0	10	BJAE	
CCCSCCCCCCCCCCCO	2244424664	LQWYRQNQWWZQSF-UHFFFAOYSA-N	246.460	4.633	0	10	BJAE	
CCC[C@H](CC)[C@H](CC(C)(C)CC)NCC	2244780992	HZAGDPQRWMXZTC-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CC1CC(C)(CC(=O)[C@@H]2CCC[C@H](C)CC2)C1	2246527923	SLHSCNJXSXTDHW-PGOFDVKTSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)[C@H](CC1(C)CC(C)C1)NC	2246541192	WXUSAGWHQQCTTJ-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)N(C)CC[C@H]1CCC[C@@H](C)C1	2246659360	HZZBSRZFFRFRLO-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C(C)(C)C1CCC1	2247160365	UBCGUQMFFDZAFV-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@H]1CCC1(C)C	2247316441	YDTFLJFUNZRPAE-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C[C@@H](N)CC1=CCCCC1)C(C)(C)C	2247466530	BDZSZBNGJSBOHP-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CCCC(O)(CCC)CCCCC[C@@H]1C[C@@H]1C	2248881582	ZKHQXWREQJIHIB-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CCc1c(C)nc2cc(C)c(C)c(C)c2c1Cl	2249487070	QNUCIHLNYKTEQG-UHFFFAOYSA-N	247.769	4.684	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C(F)F)[C@H](C)CC	2250070428	WIOKILDUPAXYHL-FRRDWIJNSA-N	249.389	4.615	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@]23CCCC[C@@H]2CC3)s1	2251122795	FCCAXTNVSKLTMG-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CCCC(O)(CCC)C[C@@]12CCCC[C@@H]1CC2	2251213695	ZRRQUWCBNVZEEF-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)C[C@@H]1[C@H](O)C(C)(C)CCC1(C)C	2251706258	BYNBHYIXDBKCSJ-MJBXVCDLSA-N	240.431	4.636	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1ccc2ccsc2c1	2253061426	NZXFJITUESPETN-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CC[C@@H]1CCCCC12CC2	2253839381	NHCFTBXCNBNZFY-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@H](CC[C@@H]2CCCCC23CC3)CCN1	2253849712	CTJRLDAVBVOHOS-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@]2(C)C=CCCC2)C1	2253924122	RNYLSVPRWBRFSC-INMHGKMJSA-N	248.410	4.908	0	10	BJAE	
Cc1ccc(C)c(C(=O)CCCC[C@@H]2C[C@H]2C)c1	2254609363	MAOZCWLACQRZSB-HUUCEWRRSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc(C)c(C(=O)CCCC[C@@H]2C[C@@H]2C)c1	2254609365	MAOZCWLACQRZSB-LSDHHAIUSA-N	244.378	4.703	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C[C@H]2CCC23CCC3)C1	2255008989	NAQXAFRKMQRYKV-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@H]2CCC23CCC3)C1	2255013491	NAQXAFRKMQRYKV-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@H]1CCCC[C@@H]1CC1=CCCCC1	2255096339	KFUJOJBYLVURFF-IAGOWNOFSA-N	249.442	4.683	0	10	BJAE	
CCN(CCCCC[C@H]1C[C@H]1C)c1ccccc1	2257285890	ZFSPGJHBNNCTOT-CVEARBPZSA-N	245.410	4.729	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](C)(N)[C@H]1CC12CCC2	2257317946	AOSSSFMLRKNQJF-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(NCCCCC[C@@H]2C[C@@H]2C)ccc1F	2257324034	NSGVIIURKAMDOO-GXTWGEPZSA-N	249.373	4.762	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccc(C2CCC2)cc1	2259447378	MLNNJIVCNVPOQY-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
C1CCC(CCCN[C@]23CCCC[C@@H]2CC3)CC1	2260607911	BPMXGYKCTOMBLA-SJORKVTESA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCC(N)(C[C@]23CCCC[C@@H]2CC3)CC1	2260649195	VRSVPTLVNVYAOF-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@@]12CCCC[C@H]1CC2	2260656185	FOJZAHRJOUIEKY-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C=CC=CCCNc1cccc(C2CCCC2)c1	2260726801	HBAVHGCPQKKCJD-UHFFFAOYSA-N	241.378	4.888	0	10	BJAE	
C1=CCC(CNc2cccc(C3CCCC3)c2)C1	2260728056	XRBVUKNGETYMCV-UHFFFAOYSA-N	241.378	4.722	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)C[C@@H]1CCC[C@H]1C	2297876521	OVHHDBUEBFYTQU-LVQVYYBASA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCCC(=O)c1ccc(F)cc1	2300699679	HWCRBCBVWLSNNO-UHFFFAOYSA-N	236.330	4.615	0	10	BJAE	
CC=CC[C@@H](NCCC)C1(C(C)(C)C)CCC1	2300882847	YENWZXNYMATABG-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](CC=C(C)CC)C1	2300896077	FBPPWNPMYWTNON-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@@H]1CC[C@@H](C)[C@H]1N)CCCC(C)C	2300904177	MDTJRMRPANAMBE-BZUAXINKSA-N	237.431	4.523	0	10	BJAE	
CCNC[C@H]1CCCCC[C@H]1CC=C(C)CC	2300926418	LQOUVWXQHYXAHY-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC=CCC(=O)c1ccc(-c2ccccc2)s1	2300933160	AGRIUNNPJXVYJV-UHFFFAOYSA-N	242.343	4.564	0	10	BJAE	
CC(C)(C[C@H](N)CC1CCCCCC1)C1CC1	2301140575	QEWYNEHNUCABFX-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)c1csc(-c2ccc(F)cc2)n1	2301915930	WTKXKANQRJRAAG-JTQLQIEISA-N	249.354	4.709	0	10	BJAE	
OC1(CCCCC2=CCCCC2)CCCCC1	2302352037	OYZPTTNCIOOICZ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)CCCC1=CCCCC1	2302354646	UGIXCBNLYLVHLE-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCc1cscc1N[C@H]1CCCC[C@@H]1C1CC1	2302889017	FXTDRCGTFHPETM-KGLIPLIRSA-N	249.423	4.691	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CC1=CCCCC1	2303410091	JUCUZOMNWNGABZ-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2C(=O)CCC[C@@H]2C)CC1	2303519986	FZRNNKAUZJEXKJ-CFVMTHIKSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1CCCC(C)(C)C1	2307754872	FSQKIOGVUKQEKM-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)C1(C)CC=CC1	2307816162	BGWCWOBSFDRHKX-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)[C@H]1CCC[C@H](C)C1	2307898323	JINFZVBGLWWAHP-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1c(C)oc(C)c1C	2307920020	MRAGDLHIMPCITC-CYBMUJFWSA-N	236.355	4.604	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)C[C@@H]1CCC[C@H]1C	2308413943	REALTGRGDBAKCV-QSJFSLAZSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CCC[C@@H]1N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309184140	ARXUHQVYVMPVOC-QUSNUVHPSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2312465127	KJPBFZLNAODXON-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1C[C@@H]2CC[C@H]1C2	2312905033	IQXWTSTYQJXPDD-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCN1CCC[C@H]1c1ccccc1	2316239075	HAGHOXFCFLCYKF-KRWDZBQOSA-N	245.410	4.650	0	10	BJAE	
CC=CC[C@H](C[C@H](C)c1ccccc1)NCCC	2316504901	YWIQXKZXVBHSMJ-DOTOQJQBSA-N	245.410	4.515	0	10	BJAE	
CC1(NC[C@H]2C[C@H]3CCC[C@H]2CC3)CCCCC1	2317001698	AXJPVODKOPGUGB-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
NC1(CCCC2=CCCCC2)CCC2(CC1)CC2	2318584071	WMEKPOXCCKZQAB-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H](N)[C@H]2CCCC3(CC3)C2)C1	2319110127	HUOZFHWZIMFMSY-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(CN)CCCCC23CC3)C1	2319327093	SVWYZRFAICLQFY-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC[C@@H]1CC[C@@H]1C1CC1	2319738378	PPGZLMUMRCBEQA-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H]2CCCCC23CCC3)CC1	2320416358	JQVLHRQYOVKSSQ-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2CCCCC[C@@H]2O)c1	2327678061	PYUVZKCBLGUQGA-RDJZCZTQSA-N	246.394	4.527	0	10	BJAE	
CCCC1(C(=O)c2cc(C)ccc2C(C)C)CC1	2327678331	TUPCDAXULIEHIQ-UHFFFAOYSA-N	244.378	4.881	0	10	BJAE	
Clc1cccc2c1NC[C@@H](C1CCCCC1)C2	11987824	LDPBPALPDCNGFI-ZDUSSCGKSA-N	249.785	4.505	0	10	BJAE	
CCC[C@@H](Nc1ccccc1)c1ccccc1	19879685	HKLQDCYJTPJFCM-MRXNPFEDSA-N	225.335	4.640	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1cc(C)sc1C	36943953	MSRQZEHDABWGFQ-LBPRGKRZSA-N	238.396	4.764	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1ccc2ccccc2c1	36951908	GNNWTUYQXBWBCZ-SUMWQHHRSA-N	239.362	4.830	0	10	BJAE	
CCCC[C@@H](C)N[C@@H]1CCCC[C@@H]1C(C)(C)C	37271869	IRYFWHJQRQSFMZ-QLFBSQMISA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](N[C@H](C)CC1CC1)c1ccccc1	70101385	OKFKINKHYPPYFA-RHSMWYFYSA-N	245.410	4.696	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cccc(F)c2)CC1	86893822	DQDFYWPQHARDEW-GXTWGEPZSA-N	235.346	4.597	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)c2cccc(C)c2C)C1	87988513	KEMIJUHIGGRELU-INMHGKMJSA-N	245.410	4.520	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC[C@H](C)C2)c(C)c1	109899309	SXIAIZKEMPXHTN-XHDPSFHLSA-N	231.383	4.602	0	10	BJAE	
CCC1CCC(CN[C@@H](C)CCC(C)C)CC1	109917835	DZUBKHPAXOFDGL-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNCC(C)C)CC1CCCC1	110208876	QZODAEVRSKHARE-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1C[C@H](CC)CC[C@@H]1CNC(C)(C)C	156092294	SOJXFTWWUPOWAH-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NCCCCCCC(C)C	163778948	KXCJTIFVVYEZOB-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(C(C)=O)cc1	163916741	KWEZWLBQTTVNDG-CYBMUJFWSA-N	247.382	4.660	0	10	BJAE	
C[C@H](CC(=O)CCc1ccccc1)CC(C)(C)C	164116786	YUJCXVOQUIGSSQ-CQSZACIVSA-N	246.394	4.651	0	10	BJAE	
CCCCC1CCC(C(=O)CC2CCC2)CC1	165830511	LNKVCNAGTQPZMG-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCC2CCCC2)C1	166320559	ZVVAABMUHVXDKM-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCCCC1(C)C	226781888	WTKAQWYALQIKBZ-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2CC[C@@H](C)C2)cc1	227190523	FSLFBYVWGAFACH-XJKCOSOUSA-N	231.383	4.801	0	10	BJAE	
CCC(CC)[C@H](O)[C@H](c1ccccc1)[C@@H](C)CC	228888370	DVIMOOXYQMDQCV-JQFCIGGWSA-N	248.410	4.613	0	10	BJAE	
CCC1([C@@H](NC)c2cc(C)cc(C)c2)CCCC1	229488995	BXHASWGCHOGQSX-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C(C)C)C2)cc1C	230985992	LUMPAENLBOEISA-HZPDHXFCSA-N	245.410	4.930	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CC(C)(C)C[C@H]2C)c1	235235399	QNZOSFZHSUVBFR-HIFRSBDPSA-N	231.383	4.540	0	10	BJAE	
Cc1cccc2c(CCC3CCCCC3)c[nH]c12	235921314	PYLRHCVNGRVCED-UHFFFAOYSA-N	241.378	4.989	0	10	BJAE	
CCC[C@H](CC[C@@H]1C[C@@H](C)C[C@@H](C)C1)NCC	251195644	UJBXUHMQHSMQOR-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(C(F)(F)C(C)C)cc1	259028466	RBEOLKXJNVEBCD-LLVKDONJSA-N	226.310	4.948	0	10	BJAE	
CC(C)c1ccc([C@@H](CC#N)C2CC2)cc1Cl	260754690	XLAGUHZDGWKJQR-AWEZNQCLSA-N	247.769	4.871	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CCCC1(C)C	300289937	XEDWYEXOKFVVMS-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](O)CCCC(C)(C)C	300879327	OHHQGKIMMJKDEE-ZDUSSCGKSA-N	214.393	4.534	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)[C@@H](C)CC	300892283	PXEDXRGJENOKQX-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(NC[C@H](C)CC(C)C)c(Cl)c1	300954216	QCCJVZDDOFOHCC-GFCCVEGCSA-N	239.790	4.743	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@@H](C)CC(C)C)c1	304190838	USSJQZQUCOGYSU-ZDUSSCGKSA-N	232.367	4.558	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)C1CCCCCCC1	305905974	CTOUWDGKCJZYSA-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@@H]1Nc1cccc(Cl)c1Cl	308798986	KGYPFXLPUSWGMN-JTQLQIEISA-N	244.165	4.594	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1CCC(C)CC1	309458928	QJQBRIWDZRFRSW-ROKHWSDSSA-N	224.388	4.598	0	10	BJAE	
CCCc1ccccc1NCc1csc(C)c1	310082880	KVJJQWRQXHOGHU-UHFFFAOYSA-N	245.391	4.621	0	10	BJAE	
CCC1CCC(N)(C[C@H]2CCC[C@H](C)C2)CC1	310186090	XOCIIKLDDKNZBT-UIDBIOKJSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)[C@@H](CC1CCC(C)CC1)NCC	310523994	OGZPPUSSQHJKPO-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1C[C@H](C)c2ccccc21	311028697	DOVNRBFGHLGZQJ-ZQIUZPCESA-N	245.410	4.649	0	10	BJAE	
CCC[C@H](N[C@H](C)C[C@H](C)CC)C1CCCC1	313408251	LWRYMAPJPKQHIS-FMKPAKJESA-N	239.447	4.760	0	10	BJAE	
CC(C)CCC[C@]1(CNC(C)C)CC[C@H](C)C1	318136522	XYASKTWWLSEMNH-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](Nc1ccccc1C(C)(C)C)[C@@H]1C[C@H]1C	322226881	YQQOEAMTQWRFOT-NFAWXSAZSA-N	245.410	4.831	0	10	BJAE	
CCC[C@@H](Nc1ccc(C)cc1F)C1CCC1	322285210	PEOOBUGEBGMVMX-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
CCCCC[C@@H](NCCC)C(C)(C)C1CCC1	322653652	YSCCVMBIHTVHFK-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C(=O)CCCC/C=C/c1ccccc1	324087547	BDBMIUPVSPCVLB-YRNVUSSQSA-N	244.378	4.875	0	10	BJAE	
CC(C)CC1([C@@H](N)CC2(C)CCC2)CCCC1	380091817	VAFXTKARDKFLQB-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc([C@H](O)[C@H](C)C2CCCCC2)c1C	380946451	OBVNEYIGKCWGBW-RHSMWYFYSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@@H](NCCC)c1csc(Cl)c1	393912886	WDGMXQJWESOXLK-LLVKDONJSA-N	245.819	4.632	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H]1CCCC[C@H]1C	395029546	KESRJRNONQFWKE-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](Nc1cc(C)ccc1F)C1CCCC1	395557750	YJWLOPNDXQUHEP-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
CCOc1cc(CC)cc2sc(Cl)cc12	396190585	NNYNYYHSEMQPEN-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1ccc(C(F)F)c2scc(S)c12	396232436	CHFUJGUUISGWDL-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1csc2cc(C)c(C(F)(F)F)cc12	396300378	IGGQBAFJGWNBCC-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@]1(C)C(C)C)c1ccccc1	397239916	RATXXFQQKYONMX-GVDBMIGSSA-N	245.410	4.552	0	10	BJAE	
CCC[C@@H](c1nc2cc(C)c(C)cc2[nH]1)C(C)C	587954899	HLTIABNVKPFWTA-CYBMUJFWSA-N	244.382	4.719	0	10	BJAE	
Cc1cc(O)c(C)c(-c2ccc(C(C)C)cc2)c1	686553755	MZYOJTQRJHHPFP-UHFFFAOYSA-N	240.346	4.799	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)c1coc(C)c1	688416369	VFYUBYKKIZXDFU-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CC(=O)c1cccc(SCCCC2CCC2)c1	688878496	YTDOQGOAUUDGIO-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC(C)c1cccc([C@]2(N)CCC[C@@H](C)CC2)c1	688911273	CENLKHYLROXATQ-PBHICJAKSA-N	245.410	4.564	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cccc(C3CC3)c2)C1	690152458	NMTBJQRLXVAJGI-BLLLJJGKSA-N	229.367	4.555	0	10	BJAE	
C1=C[C@H](NC2CCCCCCCCCCC2)CC1	698241554	PNOBOQKZBGFVPQ-KRWDZBQOSA-N	249.442	4.968	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1cccc(C(C)(C)C)c1	701136988	WULKRLFVQWAPAL-HNNXBMFYSA-N	247.426	4.681	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@@H]2CCC[C@@H](C)C2)c1	701578414	QDHHDDGZGZRLLD-FRFSOERESA-N	245.410	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@H]1CCCC[C@H]1C	704813365	AESZYTGCALFNNP-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@H]2CCCC23CC3)CC1	706287803	XPNXMRXJTUZTGN-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC1CCC(CN)(C[C@H](C)CC(C)(C)C)CC1	709080577	OZJUFOIOAMKXED-NPCAHTBFSA-N	239.447	4.604	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@]23CCCC[C@H]2C3)c(C)c1	709109604	JKVYIXWIAIVIEL-HLLBOEOZSA-N	243.394	4.684	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)[C@@]23CCCC[C@H]2C3)C1	709151698	NHXRAPPDKIDJNI-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(N)(C[C@H]2CC3CCC2CC3)CC1	709508214	LRMFQPDWABCPCG-YMAMQOFZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H](C)C(C)(C)CC	710025419	OUFAJBAOLVPJKD-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1cscc1Cl	710467449	XBNMNKFPXUURCA-GFCCVEGCSA-N	245.819	4.631	0	10	BJAE	
C[C@H](N[C@@H](C1CCCC1)C1CCC1)C1CCCC1	711830888	GNICVFGQGJUNOH-GUYCJALGSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CC(C)(C)CC[C@@H]2C)c1	713056123	CPNUYOPQWBKJGU-HOCLYGCPSA-N	245.410	4.930	0	10	BJAE	
CN[C@H](CC(C)(C)C(C)C)c1cc(C)ccc1C	713239430	IWXBNSBOOIBJFE-MRXNPFEDSA-N	247.426	4.636	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C(C(C)C)C(C)C	718490543	BYIVNICUYSVSOQ-OAHLLOKOSA-N	239.447	4.639	0	10	BJAE	
CCCC[C@H](CCC(C)=C(C)C)NC(C)C	718574649	VJCJQXGKGHKRSM-OAHLLOKOSA-N	225.420	4.680	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)CCC1CCCC1	718593133	JXJJBGLJJZSILE-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C1CCCCCCC1	718651079	IHKFYVALHFIGTQ-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCC1(CC)CC1	720990594	UKCKTBVFUIJSCI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)Nc1ccccc1[C@H](C)CC	1857847667	IEGQSXAKGFHTSQ-GFCCVEGCSA-N	219.372	4.801	0	10	BJAE	
CC(C)(C)CC(=O)CC[C@H]1CCC(C)(C)C1	1903412176	RVTOVSUOSIAAEH-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CCCC(C)C)NC	1905398692	PLNWPLNMQFVVNO-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@H]2CC)CC1	1905775268	RSUIVEQSUQSLCV-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNc1cccc2ccsc12	1908572998	XYXKCDCGUXCYLA-YPMHNXCESA-N	245.391	4.749	0	10	BJAE	
CC=CC[C@@H](C)c1ccc(CCC)cc1	1911949496	PXDUODYVMOUVBR-CYBMUJFWSA-N	202.341	4.709	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C1C(C)(C)C1(C)C	1912122385	UVQZJZRCHHYBLE-CQSZACIVSA-N	249.442	4.559	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCCC1)C(C)(C)C1CCC1	1925949597	SPVJBENEZLEDAS-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](NCCC)[C@H](C)CCC(C)C	1937160976	BCHXGSKQYKADJH-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@H](C)CCC(C)C	1937163129	KTESICNZISUFBE-QLFBSQMISA-N	227.436	4.602	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(O)CC1(C)CCCCC1	1940409706	PKETYAXYHOSUQZ-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H](N)[C@@H](CC2(C)CCCCC2)C1	1940415638	OAHJVJXSBXLDPD-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](C[C@H](C)C(C)(C)C)NC	1941266305	CZFLRQZPUASHQL-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CC(C)(C)C(C)C)[C@H](CC)C(C)C	1941267656	VINYYBKQQRYKOL-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CC(C)(C)C(C)C)NC	1941268181	BTZNKELVGIEUQJ-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCc1cccc(CC)c1NCC[Si](C)(C)C	1941332116	VZWIYSJWIRYQDI-UHFFFAOYSA-N	249.474	4.562	0	10	BJAE	
CN[C@H](CCCC1CCC=CCC1)C(C)(C)C	1941793077	LSKZMGQDEPGWIH-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)CCCCCC2CC2)C1	1941984006	OYFLZPCGIIBQLU-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)N[C@H]1CC(C)(C)CC2(CC2)C1	1943081637	AMRULMOMCDAISD-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H]1CCC(C)(C)C1	1945597266	JWIFBVYKTHEQNP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(CN[C@@H](C)CCC(C)(C)C)C1	1948406351	ZFLGBNBTGREREJ-HLIUYOAVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H](C)C2CCC2)CC1	1949040836	WWCWDQPKLOWYMM-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
OCC1(CCCCCCC2CC2)CCCCC1	1950371964	LMYSQKMMAOXARC-UHFFFAOYSA-N	238.415	4.680	0	10	BJAE	
C[C@@H]1CCC[C@@](CO)(C2CCCCCC2)CC1	1950908273	LVWIHOVEGHNTRP-GDBMZVCRSA-N	238.415	4.536	0	10	BJAE	
CC1(C)CCC(N[C@H]2CCCCC23CCC3)CC1	1967790099	BPJLOLCXGAZZFC-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CC[C@H](COc2ccccc2C(C)(C)C)C1	1968366974	QCUQPZQIZNQQBV-KBPBESRZSA-N	246.394	4.799	0	10	BJAE	
CCC[C@H](C)CN1CCC[C@H](C(C)(C)C)CC1	1969638576	WCFKBBSURDQYGY-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NC1CC(C)(C)C(C)(C)C1	1969919987	ZJBQITZYNNCRPD-OLZOCXBDSA-N	239.447	4.616	0	10	BJAE	
CCCC(C)(C)CNC[C@H]1CCC[C@@H](CC)C1	1973163732	IXEDXGRHCUWSIF-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC[C@H](CN[C@H](C)c1cc(C)cc(C)c1)C(C)C	1973383149	CIWNIYWLBDCXTB-HZPDHXFCSA-N	247.426	4.636	0	10	BJAE	
CC(C)c1cnc(C2CCC3(CC2)CC3)s1	1983318275	JOUGPXKKJLGYFH-UHFFFAOYSA-N	235.396	4.704	0	10	BJAE	
CC(C)[C@H](C)Cn1ccc2c(Cl)cccc21	1988295263	KUTOMCBMTHFCHL-LLVKDONJSA-N	235.758	4.587	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@@H](C)C(C)C	1988301662	WXTUIXOPANDXKU-KGLIPLIRSA-N	226.404	4.700	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@@H]1C[C@@H]1CC	1989270593	AHGWWKRELAGPSX-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1CC[C@H](C)CC1	1989812742	UGKADLWQUOXSGC-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCCCCc1nc(C[C@@H](C)CC)cs1	1995461345	KICJMQYFPNQLGK-LBPRGKRZSA-N	239.428	4.855	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCCCCC1(C)C	1996615224	FFMUDQLBELUJPV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCC(C)(F)F)CC1	1997106590	WAJMVASPQOVANT-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC=CCCC1)C(C)C	1999991789	SBJXBRVACMFUSI-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC(C)C)C[C@H]1CCC=CCCC1	1999992970	XTLCTZKIXLHEEE-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@@H]1CCCC(C)(C)C1	2000142276	CVPLXUGTEOXBPH-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CC1(C[C@@H]2CCCCCCC2=O)CCCCC1	2003117948	PWHUMYASJJLKMK-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
CCC1(CC)CCC(O)(C2=CCCCC2)CC1	2004339409	OQLWQRVCKJGUQG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H]1C[C@@H](C[C@H](C)CC)C[C@@H](CC)C1	2006621443	AVNGZMYNRHXKLP-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](CCC2CCCCC2)C1	2006673430	KXHLYASEIVBIJR-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CC(CC)CC)[C@@H]1C	2006977876	FZMHNUKMMVSLJE-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@H](CC1CCCC1)NCCC	2009595848	MDKZWHPROQZRGF-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CCCC1(C)C	2009635643	PRXQIVAIGVECLL-ZWXLGZMVSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](O)[C@@H](CC)CC(C)C)CC1	2010722555	PSRUTBAHPQDNMK-YCPHGPKFSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCNC2(CCC2)C1	2011863530	VXKRDEVNAAHNIP-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1CCC[C@@H](CC)C1	2013265352	WBTJGSKWCNQXMN-OWCLPIDISA-N	239.447	4.760	0	10	BJAE	
CCCCC(C)(C)Nc1nccc2ccsc12	2013532516	GVGWNJHVYOIHOH-UHFFFAOYSA-N	248.395	4.677	0	10	BJAE	
CCCCC(C)(C)NCC12CCC(CC1)CC2	2013532862	JNZYBKDAEFYXPE-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CSc1cccc(N[C@@H](C)[C@@H]2CCC2(C)C)c1	2014901139	MRTHMGXFOTYRGQ-FZMZJTMJSA-N	249.423	4.645	0	10	BJAE	
CCN[C@@H](CC)[C@H](C)CCC(C(C)C)C(C)C	2015340890	WUBKYYLYZYBWCN-ZBFHGGJFSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@H](O)C(C)(C)C2CCC2)CCC1	2015631518	GJYPIDSIZOUKQM-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](NCCC)C(C)(C)CC(F)F	2016027775	LUMFSTBSBVTUIQ-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)CC1(C(C)C)CCC1	2017144710	DTALWGAJGUGBJS-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CC2(C(C)(C)C)CCC2)C1	2017147803	HRACKWLVZGGUPV-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCC[C@@]1(O)C[C@H]1CC[C@H](C)CC1	2017651621	WUMZZAHBXUBPET-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)[C@H](C)[C@H](C)CC)CC1	2017657311	DPDVTJABGLFCHH-OXGONZEZSA-N	240.431	4.636	0	10	BJAE	
CCNC[C@@](C)(CC)C[C@H]1CC[C@H](CC)CC1	2017722310	FHBLTDFLSUJSRD-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)(CC)CN[C@]1(C)CCC(C)(C)C1	2017905133	FBWIQKULBYGOSB-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](N)(CC)CC[C@H]1C[C@H]1C1CC1	2018133521	FMTBROBLZOGCGN-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCCCC2(C)C)CC1	2018994409	BILUBAUINNJGCV-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1CCC[C@@H](C)C1	2020964436	HIIAXZKMCBMZCU-BMFZPTHFSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](N)CC[C@H]1C[C@H]1C1CCCCCC1	2022499592	RGARSIRJDNJRIU-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCCCC(=O)CC[C@@H]1C[C@@H]1C1CCCCC1	2022560786	RETHDWSXOCFUJV-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@H](CCC)C(C)C	2022673021	ORSRZRDAUAFVQF-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(F)(F)CCCCC(=O)[C@@]1(C)CC=CCC1	2023354185	WVMFGSOAKNRGSB-ZDUSSCGKSA-N	244.325	4.518	0	10	BJAE	
CNC(C)(C)CCC1CC(C)(C)CC(C)(C)C1	2024102984	XVODIFFGODYIOH-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CC1CC(CC)C1	2025353823	YWCLAAPYQCLIHF-PRLABOORSA-N	240.431	4.780	0	10	BJAE	
CCOc1ccsc1CC1CC(=C2CCC2)C1	2025989061	GOVSRZDHGBZACC-UHFFFAOYSA-N	248.391	4.580	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)c1ccc(C)cc1	2027313783	JEZKTIUNYLQKHQ-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)NCCCC2(C)CC2)c1	2027807610	IJNGJWKWQVDODF-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
C[C@H](NCC1(C2CCCCC2)CC1)C1CCCC1	2029743871	PLEUHONSAODYOF-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](O)(c1cccc(C)c1)[C@@H](C)CCC(C)C	2029837193	NQCJACCIAMASSC-RDJZCZTQSA-N	248.410	4.665	0	10	BJAE	
CCCC1(CN[C@@H]2CC(C)(C)CC3(CC3)C2)CC1	2030288459	OLXQQKKNIMYOTE-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCN[C@@]23CCCC[C@@H]2CCC3)CC1	2031797353	DAEYLZUZHSUHBJ-IAGOWNOFSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@@]12CCCC[C@@H]1CCC2	2031847333	ZXPMASDZCWQRGA-PNBKFKSVSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CC1)C1=CCCCCCC1	2032161782	UJCQQLUAZWAHRO-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CNC2(CCCC2)[C@H]1CCC1CCCCC1	2033535019	MYFZNFCCDNCLDZ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc(C)c(CC)c1	2035427225	WJDWZBNHPFRQTN-RDJZCZTQSA-N	245.410	4.938	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NC1CC2(CCCC2)C1	2036544478	WRTBDVQCNABPFX-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC(C)(CC[C@]1(N)CCC12CCCCC2)C1CC1	2037160926	RDNFUVAHKQLJNE-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@]1(N)CCCC12CCCC2	2037179910	VEDFDZWHYOBEEV-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)([C@H]2CCC3(CCCC3)C2)C1	2037686712	ODHVHHZBFRRNMF-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CCCC1CC(CN)([C@@H]2CCC3(CCCC3)C2)C1	2037703191	NHTXNOBDVOMTEP-ISXOHVOVSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)C=CCCC2(C)C)CC1	2037872981	YLYGYSUEVUVSPO-QGZVFWFLSA-N	249.442	4.667	0	10	BJAE	
CC1CCC2(CC1)CC(N)(C[C@@H]1CCC[C@@H]1C)C2	2038932743	HSCNQJOJYLDDAU-YTVKCJQUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@]1(C)C[C@@H]1NC1CC2(CCC(C)(C)CC2)C1	2038935636	VVUANKGHSXZVGY-HOCLYGCPSA-N	249.442	4.514	0	10	BJAE	
CC1(NC[C@@H]2CC23CCCCC3)CCCCCC1	2039080711	DASPMSHNBSIKJR-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)c2ccc(C3CC3)cc2)C1	2040149601	MNCPRDKFHICLTQ-STQMWFEESA-N	242.362	4.573	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C1CC1)[C@H]1CC=CCC1	2042016447	KFGANBWPAMMOEE-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H]([C@@H]1CCCC[C@@H]1C)C1(C)CC=CC1	2042016735	NLTCCSXSJGELHE-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CCC(C)(C)CC1)[C@H]1CC=CCC1	2042030750	OQBXDMOBOQMFJX-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H](NC[C@]2(C)CC=CCC2)CC(C)(C)C1	2042071817	KDYYBFBJNIOTLO-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H]2CC3CCC2CC3)C1	2045459951	JQCRKXQCUGAOMN-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@H]2CCCC(C)(C)C2)c1	2045460737	RZPYKVMKDDKZGJ-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CCN(CC1(C)CCCCC1)c1ccc(C)cc1	2046569340	VFALKGJCVVTFSY-UHFFFAOYSA-N	245.410	4.792	0	10	BJAE	
CCN[C@H](C[C@@H]1CC12CCCCC2)C1(C)CCC1	2047021809	ZEHFCXBETKJLAO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@H]1CC12CCCCC2	2047060819	AMKVZYNKWCIDMU-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CC12CCCC2)C1CCCC1	2047061816	IQBWYCSAWUTKAM-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H]1CCC12CCC2	2047936051	NMMBFVIEWMKAJJ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCC[C@](N)(C[C@H]1[C@H]2CCCC[C@H]21)C1CCCC1	2048446142	HEQAJDMGTVIGDI-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1CC1CCC2(CC1)CC2	2049850570	YTSYNLHHCNNVGS-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CC23CCCCC3)CC1	2051600807	YQOKZFVOKNJFGM-HWOWSKLDSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CC(C[C@]2(N)CCCCC23CC3)C[C@H](C)C1	2053314416	FIBOQQZRNOZZAN-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@H](C)N[C@H]2C=C(C)CC2)CC1	2055852825	QVLDRZAQPKYWGA-ZGRYLRDCSA-N	249.442	4.680	0	10	BJAE	
CCc1cccc(C(=O)[C@H]2CCC[C@H]2C(C)C)c1	2056451281	NTSVOGOSRPLSSQ-HOTGVXAUSA-N	244.378	4.504	0	10	BJAE	
CCCCCC1CC(Nc2ccc(C)cc2F)C1	2059397919	ONKOGPJABYFGRZ-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
C[C@@H]1CC=C([C@@]2(N)CCC3(CCCCC3)C2)CC1	2060911418	XWTOMHWYQMTTRN-RHSMWYFYSA-N	247.426	4.565	0	10	BJAE	
CC(C)C[C@]1(C2=CC[C@@H](C(C)C)CC2)CCCN1	2061087396	FQZXGYNCIAPFDK-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CC(C)(C)CC[C@@H]2C)CC1	2061115353	GSEUKOZSDWLGNH-JJRVBVJISA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H]1CCCC[C@@H]1CC	2061560341	FASCGVXAGGIGGR-BBWFWOEESA-N	249.442	4.692	0	10	BJAE	
CCCN[C@H](CCC1CC1)CC[C@@]12CCC[C@H]1C2	2061570730	FNKMOAKJTKXORI-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC[C@]12CCC[C@H]1C2)CC1CCCC1	2061573115	VTZXHGRHZHHZDU-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)NCC1CC(=C2CCC2)C1	2061722383	IWGITZROQJKHOW-CQSZACIVSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](C[C@H](N)C1CC(=C2CCC2)C1)CC(C)(C)C	2061737246	PEQKVRGNGQXKMA-LRDDRELGSA-N	249.442	4.667	0	10	BJAE	
CC1(C[C@H](N)C2C[C@@H]3CCC[C@H]3C2)CCCCC1	2063510015	NIQBDBIQDSPQJT-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063520096	KZOMZSVAEGWZGZ-ZSHCYNCHSA-N	246.394	4.518	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC23CCCC2CCC3)C1	2063902776	JLFFWDAEWUEGEG-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NC)C23CCC(CC2)C3)CCC1	2069336187	WXFBJVSKKTVCTL-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@@]3(C(C)C)C[C@H]32)CCC1	2069343230	XLQWUZFAEMRJRQ-HYVNUMGLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCC1(CC2CC2)CCC1	2069504648	DILYCWFYXNXTGR-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCc1c(C)cccc1C	2070397714	IRDAPDPPEOWPIG-MRXNPFEDSA-N	245.410	4.528	0	10	BJAE	
CNCC1(C[C@]23CCC[C@@H]2C3)CCCCCCC1	2070959049	NGGRGFBMQICEOL-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC(C)=CCCN1CCC[C@H]1C1CCCCCC1	2071969399	RJTNCHDFKNIYAP-KRWDZBQOSA-N	249.442	4.778	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](C)CC1)[C@H]1CC=CCC1	2072793474	KHXDCVWULXSXNW-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)CC(C2CC2)C2CC2)CC1	2072872270	ZQJKGCVBJZGDLF-JOCQHMNTSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)c1cccc(CCC)c1	2073343384	VIDUVNRCCKACJD-QGZVFWFLSA-N	248.410	4.817	0	10	BJAE	
CCCC[C@H](C=C1CCN[C@@H](C2CCC2)C1)CC	2073791890	UGWJXKKKXJGIJT-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc(NC[C@]23CCCC[C@@H]2C3)cc1	2074047940	TWMZVJLIPFBOPY-NVXWUHKLSA-N	243.394	4.631	0	10	BJAE	
O[C@@]1(CCC2=CCCCC2)CCCC[C@H]1C1CC1	2075711535	ZDNUNGGNVMISDU-DLBZAZTESA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CC3CCC2CC3)C1=O	2076448705	ADLGDXITOBLVOZ-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H]2CC=CCC2)cc1	2077932212	XZNQCUAEPITMHU-OAHLLOKOSA-N	242.362	4.568	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@H]1C[C@@H]1C1CCCC1	2079491246	HYNDQIPYBNLSRX-BMFZPTHFSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C)NC[C@]1([C@@H]2C=CCC2)CCCC1(C)C	2081682004	LMOGVOXJLQNLQE-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1ccc(C)cc1C	2086043305	DPGQMLILCRDKDS-CXAGYDPISA-N	248.410	4.943	0	10	BJAE	
CCCC[C@@](C)(N)CCCCCCC1CC1	2210524928	JTHLVUFREILUKB-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCCCCn1c(C)cc2cc(Cl)ccc21	2211373980	DMMDSGVDEHKBIE-UHFFFAOYSA-N	235.758	4.793	0	10	BJAE	
CC(C)[C@@H](O)CCCCCCCCC1CC1	2212446511	OWJJGIYNCZZGDS-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC1(C)C[C@H]1C[C@@H](N)CCCCCCC1CC1	2213578775	PTLMABUCQREJHK-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CCCCC2CC2)CC1	2214572509	DVHPQTDSKMYCEZ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)C[C@H]1CC[C@@H]1C	2215096447	POTIKNRDNMBZMI-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1([C@H](C)CCC)CC=C(C)CC1	2215841341	XXWOBNGRBOIWBJ-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
O[C@@H]1CCCCCCC[C@@H]1CCCCC(F)F	2216446807	IWVLGPWGZGUGJK-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCC[C@H](N)CC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216764066	QONRHDRNOPQCBX-JONQDZQNSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)NCC1(CCCC(C)C)CCCC1	2217149576	IXXJGDKJKONPRN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NCC1(C[C@@H](C)CC(C)(C)C)CC1	2217158916	IBTXOHFMMCVUOD-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)c1cccc(CCC(C)(C)C)c1	2218535992	YQZQQAHUXPOEMI-CQSZACIVSA-N	247.426	4.726	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN(CCCCC2CC2)C1	2220018079	KXGJALPMQSLOCW-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)C1CC2(CCCCC2)C1	2220880258	RIVKXNJWTIGUFI-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)CC2CCC=CCC2)CC1	2221619255	OWUOVXNMXZNDRH-IAGOWNOFSA-N	247.426	4.587	0	10	BJAE	
CCCCC[C@@](O)(CC)c1c(C)cc(C)cc1C	2222006409	LTSFBASDQKWBEL-KRWDZBQOSA-N	248.410	4.790	0	10	BJAE	
C(CCCC1CC1)CCCN1CC[C@H]2CC[C@H]1C2	2223105787	NLSFYUUKILISHD-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
CC(=CCCCCCCC1CC1)[C@H]1CCCNC1	2223122913	LZXKTQARECIQDU-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CC[C@H]1CC1(C)C)N2	2224120056	HSLMJGJWFKOGRA-GJZGRUSLSA-N	243.394	4.548	0	10	BJAE	
CCC[C@@H](CC)CNc1ccccc1SC	2244799498	HIWZHZIHRNXVHN-GFCCVEGCSA-N	237.412	4.647	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC[C@H]1CCC[C@@H](C)C1	2246666955	WVSFUPVTUOSLPF-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@@H](CCCC2(O)CCCCC2)C1	2246729446	BVXHBRWJRQNENE-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNC(C)(C)CC(C)(C)C	2247119956	BOZACFJNDRJRSX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CC(O)(CCCC[C@H]2C[C@H]2C)C1	2247123612	XSCTZHOCJDSJFA-CIDNJEQPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)C[C@@H]1CCC1(C)C	2247311084	BCQHKKPCNQKBFB-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H]1CCC1(C)C	2247443728	KMBTUTUANZKLNH-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@@H]1CCC1(C)C	2247446876	XAUHFTXLXSVQTP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCCC1(C)C	2248813445	FHSCCOZSPRMNII-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)(F)F)[C@H](CC)CCC	2250358535	NKAOGMCPXKFNFZ-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)C[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251709770	ZGCLTGPJZCVDEY-ZIAGYGMSSA-N	238.415	4.556	0	10	BJAE	
CC(C)=C(C)CCN(CCC(C)C)CC(C)C	2252639053	AFZAJUXIJIJVDD-UHFFFAOYSA-N	239.447	4.737	0	10	BJAE	
CCC(C)(C)C[C@H](N)c1ccc2ccsc2c1	2253130025	QJQIBRZYNKFYQD-ZDUSSCGKSA-N	247.407	4.727	0	10	BJAE	
CCC1(C[C@@H](N)C[C@@H]2CCCCC23CC3)CCC1	2253834411	ZEHWAJYEHLOBOD-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@]23CCC[C@@H]2C3)C1	2253931001	OZHSGHJNXWCQJB-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)C23CCC(CC2)C3)C1	2253935899	BOJWJPBVBYAFBO-JPQBHMHHSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(OCC2CC3(CCCC3)C2)cc1C	2254081285	ZGOJCHJLHBSCOE-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)CC1CC2(CCCC2)C1	2254112389	FHLCNVLLKMZTKL-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(N(C)CCCC[C@@H]2C[C@@H]2C)cc1	2254580652	FEUSWAUKKCZANJ-GOEBONIOSA-N	245.410	4.512	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@]1(N)CC1=CCCCC1	2255092502	UURUNDVFTMURCE-OIISXLGYSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc([C@@H](N)CCCCC[C@H]2C[C@H]2C)cc1	2257286796	CEPSNHCELSEVFI-PVAVHDDUSA-N	245.410	4.601	0	10	BJAE	
Cc1ccc(C)c(OC[C@@]23CCCC[C@H]2CC3)c1	2260577394	FIQLHSKDHRYSEV-RDJZCZTQSA-N	244.378	4.653	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@]23CCCC[C@H]2CC3)C1	2260581520	ZQQHAXVJJLVICS-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2260655598	DBEMBEAQSMKYQM-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1cc(C(C)C)ccc1C	2300462365	AWRMWTRDAWQQFU-HIFRSBDPSA-N	231.383	4.719	0	10	BJAE	
CCCC[C@@](CC)(CC=C(C)CC)CNCC	2300866083	WDEIIYXWTLFSFI-INIZCTEOSA-N	239.447	4.929	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H]1CCCC(C)(C)C1	2300875006	QKYOUDPANSMKNO-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@H]1[C@@H](N)C(C)(C)CCC1(C)C	2300899821	RLDNZKKGIDEODE-ZIAGYGMSSA-N	237.431	4.523	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C(=O)CCCC1=CCCCC1	2302342737	MJDLGDCHOZRAQB-GJZGRUSLSA-N	234.383	4.518	0	10	BJAE	
Fc1ccc(CCCC2=CCCCC2)c(F)c1	2302346370	FSSJBRIBWVSCFW-UHFFFAOYSA-N	236.305	4.788	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@@H]2CCC(C)(C)C2)C1	2302754227	WFXUUMBRQCRBNH-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@H](N)c1cccc(C(C)C)c1	2303671740	JZNGXHWKEUHOAG-INIZCTEOSA-N	231.383	4.556	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCC(C)(C)C2)cc1	2304360490	LEWSSLAQNRZBGN-CQSZACIVSA-N	231.383	4.623	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(N)CC[C@H]1CCC(C)(C)C1	2304408327	MMWYYWSMWSGRPP-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@@H]2CCCCC23CC3)n1	2307696918	VBDWHXWGQYLNPG-WOPDTQHZSA-N	247.407	4.704	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)C12CCC(CC1)C2	2307873310	FBXVYAXBVXKHBR-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)C[C@H](C)CC(C)(C)C1	2307907301	BSBCYHZVTFECMU-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@](C)(CC[C@@]12CCC[C@@H]1C2)CNC1CC1	2310382508	PHYCKOXQOGKTCW-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCC[C@@H]3CCCC[C@@H]32)C1	2311206646	FILXRPZSONQAKQ-TWMKSMIVSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CCC)c1ccco1	2311573928	VWGJUPGMHGMJKN-KFWWJZLASA-N	249.398	4.537	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2312440065	GWYDJSVUXANZTF-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@]1(O)C[C@H](C)c2ccccc21	2316241025	ZTSSYAMGXHCFOF-GUYCJALGSA-N	246.394	4.598	0	10	BJAE	
CCC(C)=CC[C@@](O)(CC(C)C)c1ccccc1	2316541793	JTJXDGVKRMGRDS-QGZVFWFLSA-N	246.394	4.667	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1CCCCC12CC2	2316885449	MYDBWMMTYLOCJC-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC[C@](O)(c1cccc(C)c1)[C@@H](C)[C@@H](C)C(C)C	2317859436	PVPFKQZTCRAKKE-YQQAZPJKSA-N	248.410	4.521	0	10	BJAE	
CC1CCC(C[C@@H](N)CCC2=CCCCC2)CC1	2317914021	YIIYBBNCMOSGOE-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
Cc1cccc2c1N[C@H]([C@@H](C)[C@@H](C)C(C)C)CC2	2317949825	BZJCNCIPKCKSPW-DZKIICNBSA-N	245.410	4.650	0	10	BJAE	
N[C@H](CC[C@H]1CC[C@@H]1C1CC1)CC1CCCCC1	2319694391	XPKFJTPALQHKMP-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
N[C@](CCCCCCC1CC1)(CC1CC1)C1CC1	2320621373	STYOZZHGYPOQNY-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCC1(C)CC(Nc2cccc(C(C)C)c2F)C1	2327808672	ZSIGDBHKBPSCDR-UHFFFAOYSA-N	249.373	4.940	0	10	BJAE	
Cc1cc(C)c([C@H](N)CCC2CCCC2)c(C)c1	19231268	DBIMOHPBJCIKGX-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
C[C@@H]1C[C@@H](NCCC2=CCCCC2)CC(C)(C)C1	20019238	QULRVXSSRLALPA-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CCC(=O)c1ccc(-c2ccc(Cl)cc2)cc1	26544112	JXRRGSMZWLSKJY-UHFFFAOYSA-N	244.721	4.600	0	10	BJAE	
CN[C@@H](CC1CCCCC1)c1cc(C)ccc1C	35489588	RBYUPBAZHZKGAQ-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
O[C@H](CC1CCCC1)c1csc2ccccc12	40258653	RGCLVDQBYVFXGS-CQSZACIVSA-N	246.375	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)C1(c2ccccc2)CCC1	62780557	ATPSAEUEXWAULX-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC(C)c1ccc(C2(O)CCC(C)(C)CC2)cc1	79657481	HOSHBSCZHFLFFL-UHFFFAOYSA-N	246.394	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1ccsc1	85527750	BMDWAYXCTWTILE-OLZOCXBDSA-N	237.412	4.765	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1Cc2ccccc21	86487000	LCNYEJUTYBCAOY-XJKSGUPXSA-N	244.378	4.502	0	10	BJAE	
CC(C)CCCN[C@@H]1CCC[C@@H](C(C)C)CC1	86944732	OVSUQEDSFJAUOI-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](O)C(C)(C)CC)cc1	90484274	KZSCYTXQQJJJHE-HNNXBMFYSA-N	248.410	4.844	0	10	BJAE	
C[C@H]1C[C@@H](CC2CCCC2)c2ccccc2N1	92345007	HSBNATVONFFRLB-JSGCOSHPSA-N	229.367	4.555	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H]2CCCC2(C)C)CC1	94322510	CWXCXTJLRZTUAR-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCN[C@H]1CCCC[C@@H]1C(C)(C)C	103983662	ONHNKZMPCKMVTK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1-c1csc(N)c1	105882762	PKFQAPSCINVMMH-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
CCCCCC[C@H](C)NCCC1CCCCC1	109898214	SIOHORSCEYSYHD-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC(C)CCCNc1ccc(C(F)(F)F)cc1	110382015	BNIXJDFFMCNUGE-UHFFFAOYSA-N	245.288	4.554	0	10	BJAE	
CCCCC[C@H](C)Nc1nccc2sccc12	110382629	LPEWHXNIBQORCM-NSHDSACASA-N	248.395	4.677	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)C1(CC(C)C)CCCC1	162381264	CRSYDLVKPIMPEI-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccc(C(C)(C)C)cc1	163734571	BHMIFCJSLIOIOM-CZUORRHYSA-N	245.410	4.975	0	10	BJAE	
CC1(C)CCC[C@@](N)(CC2CCCCC2)CC1	203540063	SDKUXMOGVTUIJB-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](O)c1cc(C)cc(C)c1	225416890	ZNIPXQUFNNHSJH-UAGQMJEPSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1c(C)cccc1C	232996815	FROKYYKJAYQLHX-HZPDHXFCSA-N	247.426	4.910	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O	251291122	HOEYZWKIRMFDEQ-GBJTYRQASA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(O)CCC1CCCC1	302275272	SFYKOHHYHISCQO-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](CCCC(C)(C)C)CNC(C)C	302282109	JJVYFVRDNOYEMH-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](Nc1cc(C)c(F)cc1Cl)C(C)C	304372626	OVAUGNMDZVTVOB-GFCCVEGCSA-N	243.753	4.634	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1ccccc1C1CCC1	305902917	CSARMYUENJYKHF-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CSc1ccc(C)c2sc(Cl)cc12	306920725	NOCQNRMQRMKRBI-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
C/C(=C/C1CCCCCCC1)CNCC(C)C	309985520	MBYCNDPDRDTNOJ-PTNGSMBKSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](Nc1ccc(C)c(CC)c1)C1CC1	310309665	TXGXFUKCADIAGD-INIZCTEOSA-N	231.383	4.548	0	10	BJAE	
CCCC1CCC(CN)(CC2(C)CCC2)CC1	310536173	RHIXLGNIIFKPPG-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C(C)(C)C(C)(C)C	310548432	FOWJLHXRUKVBGW-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C[C@@H]2CCC[C@@H](C)C2)c1	310970936	ICIAAXPVNYJAFF-SRCQZFHVSA-N	245.410	4.520	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)CCC[C@@H](CC(C)C)C1	319687514	RYVKBGPIVWIVOV-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](N[C@@H](C)C1CCCCC1)C1CCC1	322680214	JNZZGQVCIBLHFT-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC1(C)CCCC1	380759828	VYAVHQPDTGOVCV-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
Cc1ccccc1N[C@@H]1C[C@H](C)c2ccccc21	381298551	ZPAGIXLCFQRWEV-SUMWQHHRSA-N	237.346	4.655	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CC2CCC1CC2	381938744	UYMFNUUULHKEDY-QOZQQMKHSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc(C[C@H](O)CCCCCC(C)C)cc1	383113373	ADZICUSFKGHZHF-QGZVFWFLSA-N	248.410	4.505	0	10	BJAE	
CC(C)CCCCCC[C@@H](N)c1ccccc1	383372914	JYSYFWNRXLASIE-MRXNPFEDSA-N	233.399	4.683	0	10	BJAE	
Cc1ccc([C@@H](CO)CCCCCC(C)C)cc1	383479343	DNYLSCFYWYWCKX-QGZVFWFLSA-N	248.410	4.677	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C)CC(C)(C)C	384655147	VBAOTCUUVCIDHW-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@H](C)NCC(CC)(CC)CC	391179844	IJYWCCBAQZONPA-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CNC/C(=C/C1(C)CCCCC1)C1CCCCC1	394781065	LTIXZYLPSHHNGL-SSZFMOIBSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CC23CCCCC3)CC1	395677419	QRPUKOXZSNDRBI-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCOc1cc(C)c2cc(C(F)F)sc2c1	396242875	NHCHVKQZGWWHOL-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCOc1cc(C(F)F)c(C)c2ccsc12	396252928	VDBIEVHQEVECFC-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
C[C@@H](CNc1cccc2ccsc12)C1CCC1	398630037	JTOBYAIEYMAFLH-NSHDSACASA-N	245.391	4.749	0	10	BJAE	
CCN[C@H](CCC1CCC1)C(C)(C)C(C)(C)C	398931946	RCBXMGDUAXKWAB-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
Clc1ccc2ccn(C[C@@H]3CC=CCC3)c2c1	402220054	QZSQRUAUTVYJOY-GFCCVEGCSA-N	245.753	4.651	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1ccc2c(c1)CCCC2	404625090	CCAUODRBRKKOQE-SUMWQHHRSA-N	243.394	4.556	0	10	BJAE	
CCCCCC[C@H](N)CCC(C)(C)C1CC1	405862392	DPTZHRJVPZXKOW-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCC1(CNCC2(CCC)CCC2)CCC1	687272083	NWTKTXFIWHBLBK-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC1(C)CCC(CC2(CN)CC3(CCC3)C2)CC1	691442206	WSDIGLOZDDMRIG-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1CC2CCC1CC2	691647483	FYQOVENZCAFOQM-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H]2CCCC3(CC3)C2)C1	695715355	GAZAJRSVKZUJCV-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Clc1ccc(N[C@H]2CCCC[C@@H]2C2CC2)cc1	696050849	RVGBQTUKCLABIR-CABCVRRESA-N	249.785	4.721	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1ccccc1C1CCC1	696559001	FTCSQNVVXIDHPU-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCC[C@](O)(CCC(C)(C)CC)C1CCC1	696701735	BCIKKFZLCDSYPY-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CCCC[C@@H]1C(C)C	696799301	KDHBFHHVZYLUEX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1ccc(C(C)C)cc1	697754159	ARQOFSTVVCSMPH-MRXNPFEDSA-N	231.383	4.556	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCC[C@@]1(C)O	699672864	VYLAWXUQEZQIJH-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CC1CCC([C@]2(N)CCCCC23CCCC3)CC1	704486495	KEAKESOIOHQNIH-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CCC=C(C)C)CC1	704905836	FUHLSEKPVSHYOG-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H](C)CC(C)(C)C	708286287	FOEHPBVYEJTXCQ-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CCC1([C@@H](N)C[C@@H](C)CC(C)(C)C)CCCC1	709123781	DZZQFIUMFMRUFT-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](CNCC(C)C)C[C@@H](C)CC(C)(C)C	709128633	SKIFAALIUWLRJP-HUUCEWRRSA-N	241.463	4.721	0	10	BJAE	
CCNC[C@@H](CC(C)C)C[C@@H](C)CC(C)(C)C	709131373	WVEWVMWVWHSWRS-CABCVRRESA-N	241.463	4.721	0	10	BJAE	
c1cc(N[C@@H]2CCC[C@H]3C[C@@H]32)cc(C2CCC2)c1	709688818	YJLBDWMIDMQOEV-BHYGNILZSA-N	241.378	4.555	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@H](C)C(C)(C)C	710721556	UVTMUTVJVUFOOS-AWEZNQCLSA-N	241.463	4.848	0	10	BJAE	
CC[C@H](C[C@@H](O)C[C@H](C)C(C)(C)C)C(C)(C)C	711193561	SINJWPWTDCKNII-MJBXVCDLSA-N	242.447	4.882	0	10	BJAE	
C=C/C=C/CC[C@H](CCC1CCCC1)NCCC	713766307	YRHGZDRYEGUMAJ-FUTAKVPZSA-N	249.442	4.847	0	10	BJAE	
CCC[C@]1(CC[C@@H]2C[C@@H]2C2CC2)CCCCCN1	714900657	OJOAUJDSVURIKD-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c([C@H](C)NCCCCC2CC2)c1	716400442	YUOJUYCLFAQYBD-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCCCCC[C@@H]1CCC(C)(C)C[C@@H]1NCC	717529425	AAKLQCTUASRRMT-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCCC1(CNCC(C)C)CCC=CCC1	718051239	NOPSINDWQGRCBV-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@H](C)CC(C)(C)C	718498820	ZBWJVOBSQWIWFC-ZIAGYGMSSA-N	225.420	4.523	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCCCC1(C)C	719223432	QYQOAOQKGVDMNA-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
C1CCC(C2(NCCCC3CCCC3)CC2)CC1	1176841896	JUDJBJGKMJHIOI-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1SC(C)C	1640641104	ADURNHZCPIHYNQ-UHFFFAOYSA-N	222.397	4.793	0	10	BJAE	
CCC(CC)c1cc(Cl)sc1C	1889481704	XURUFBZFUDKKTQ-UHFFFAOYSA-N	202.750	4.614	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H](CC)CC(C)C	1905453918	NOCPAQBAXMHYID-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@@H](CCC)NC1CC2(CCCC2)C1	1912714880	BJRPRBDICHOQCZ-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1CCCC(F)F	1913423986	OWCMTXRPTBROPC-GFCCVEGCSA-N	246.341	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](C)C[C@H]1NC	1916044915	QTNQDVCFAVXXHP-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@@H]1CC[C@@H](C)[C@@H](C)C1	1920197882	PQMLNZRCKSFZGG-ZVDSWSACSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C)C[C@](N)(c1ccccc1)C(C)C	1920435239	JQENEIRZVMRSIJ-NVXWUHKLSA-N	247.426	4.569	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@@H]1CCC1(C)C	1926189601	QBAHSADATMCMLE-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)c1cc(C)cs1	1939447350	TYAUVYOILQIXSF-TZMCWYRMSA-N	239.428	4.533	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@H](C)C(C)(C)C	1940882434	JIEFYRUUKJZDBD-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@](C)(F)c1ccc(N)cc1	1940966670	LMWIISKKPBXCKW-HNNXBMFYSA-N	237.362	4.670	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)CC1CCC=CCC1	1941791385	DESRKSFBRZENEX-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
c1cc(NC2C[C@H]3CC[C@@H]3C2)c2sccc2c1	1941960162	ONELTAFRDCNUBT-VXGBXAGGSA-N	243.375	4.502	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)([C@H](C)CCC(C)C)C1	1942656707	CIKLOYPLNHFRHB-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCNc1ccc(C2(C)CC2)cc1	1944597749	DOEBGCBNDVLESN-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](O)CCC1CCC1	1944618582	ONOSDLGWTQVCJM-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H]2[C@@H](C)[C@@H]2CC)cc1	1945662243	AVHGQRUITQLEAL-GVAFMPQTSA-N	232.367	4.623	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC(C)(C)C(C)(C)C	1947465207	UOKBYCGDUGJJMD-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC[C@H]1C=CCCC1)CC(C)C	1947594330	XDJSCMZHRFJVCG-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CC(C(=O)CCC[C@@H]2CC2(C)C)C1	1948406296	YKXZRHHOAUXOLI-MFOWVQHXSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@@H]1c2ccccc2NC[C@@H]1C	1949095455	YYSLGTUTVFIGQX-JSGCOSHPSA-N	231.383	4.658	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@@H](CC)C1)C(C)C	1949835169	RVJKEQPEKNOSLH-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@]1(CNCC)CCC[C@@H](C)CC1	1950930726	QXOUGEAGZLXMAK-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
C1CCC(CN[C@H]2C[C@@H]3CCCCC[C@@H]3C2)CC1	1965862578	UADPECHZHOADJJ-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(NC[C@H]2CCC3(CC3)C2)c(C)c1	1968259880	MDAFIXYDFWZNGV-HNNXBMFYSA-N	243.394	4.604	0	10	BJAE	
CCC[C@@H](C)CC[C@H](N)c1cccc(Cl)c1	1980685998	YGJMQTXMAOTTGG-RISCZKNCSA-N	239.790	4.556	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CCC[C@H](CC)C1	1984574790	FACUNNZTPUAVNY-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CC=CCCC[C@H]1C[C@@H](CCC)CCC1=O	1984575411	MNPHJVUOTFSIGC-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CCCC(CCC)C(=O)CCC[C@H]1C[C@H]1C	1985895597	FOZWHYLECPKSJB-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
CC[C@](N)(CCC(C)C)C1CCCCCC1	1986938565	OKXGCHZQGWXEEL-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC1(C[C@@H](O)CC(CC)CC)CCC1	1988460891	CEZRDHJNTAAVFY-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@H](O)CC1(CCC)CC1	1990610763	OBBICOYRHKAEHV-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)Cc1coc2c(Cl)cc(C)cc12	1995463478	KROHDYOVPWJSMU-VIFPVBQESA-N	236.742	4.983	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@](C)(N)C1CCC(C)CC1	1996594287	KWTLUZYJCOFPRF-GYTBAZASSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C)[C@@H]1CCCC2(CCCCC2)C1	1996648376	YWZKASQQCWVOSM-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CCC=C(C)C)CC1	1997116166	JMEVXVQIFXGUHV-OAGGEKHMSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CC[C@@H]1Nc1ccccc1C(C)(C)C	1998752211	LXDVMIMJUVJYQC-JSGCOSHPSA-N	231.383	4.585	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H]([C@@H]2CCCC(C)(C)C2)C1	2000095961	DNQPNBHLDFOYLX-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)c1ccc(Cl)cc1	2000292181	ATNHDNDQMRIQQH-RISCZKNCSA-N	248.753	4.515	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H]1CC12CCCCC2	2001258438	FNEMGGVQWGXEPN-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@@H](C)[C@]1(N)CCCCC12CCCCC2	2001560635	FUFQPXRRHBAXGK-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(N)[C@@H]1CCC[C@@H](C)C1	2002998765	OAYKPJBYZNRXBS-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)CCC2CCCC2)C1	2003012575	APVQYKFNATYONA-CWRNSKLLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H]1CCCCCCC[C@@H]1NC	2003118286	QZXIGLBQEJBYKC-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)CC1(C)CCCC1	2003174976	IKUJOSKWELJZBY-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CCC1(C)CCC(Nc2ccc(C)cc2)CC1	2004343072	YOYCVXGXNTVXHX-UHFFFAOYSA-N	231.383	4.766	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H]1CCCC(C)=C1C	2006912342	FEILEFLZMHHRNT-MAZHCROVSA-N	237.431	4.680	0	10	BJAE	
CCCCC[C@H](C=C1CCCCC1)NCCC	2007940177	ONHREAZJLAMCIJ-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC1(C)CC1)NCCC	2009548525	QFANZGXCFIMNAH-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC=CCCC[C@H](C[C@@H](C)C(C)(C)C)NCC	2009619054	ICRBIKRNUMHWLS-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@H](CC1CCCCCC1)NC	2009620131	RQYXIJDPGNOKJU-QDLOVBKTSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](CCC1CCCC1)NCC	2009620252	SXOOACSZIKRYGM-WMHVBEDNSA-N	237.431	4.681	0	10	BJAE	
C=C=CCC[C@H](C[C@H](C)C(C)(C)C)NCCC	2010977528	QPQPKFKSHYJQCA-LSDHHAIUSA-N	237.431	4.548	0	10	BJAE	
CCN[C@H]1C[C@H](CCC(C)(C)C)CC(C)(C)C1	2012063851	SRECTCPIFSEENL-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H](CCC2CCCCC2)C[C@@H](N)C1	2012064095	TUUDXOSOAZWURH-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C1CC1)C(C)(C)C	2013268026	WIGXDIRWWZGJJT-LSDHHAIUSA-N	239.447	4.616	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1CC(C)=C[C@@H](C)C1	2013528732	NSMHZGPVTZJABQ-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C[C@@](C)(O)CCC(C)(C)C)C(C)C	2015284673	PPMIDDIPCYDBMQ-INIZCTEOSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(CC(=O)CC1CCCCC1)C(C)C	2015385436	DSVJBCPCHKWYRC-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCC1CCC(C(=O)C2(CC(C)C)CC2)CC1	2015741439	AXKDBLHWXUPUQU-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1(CC2CC2)CC1	2015749979	HMZOBDMZCCPLGK-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1(CC2CC2)CC1	2015752809	JXBZKOXDDJKKBX-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](O)[C@H]1CC[C@H](CCC)CC1	2017655508	NLYSOSVBCOAZIX-BZUAXINKSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)C[C@H]1CC[C@H](C)CC1	2017729568	XWYVGBFFUMDLHR-IHRRRGAJSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC1C[C@@H](C)C[C@H](C)C1	2017807401	MIBZVTSZFOTKRX-HEHGZKQESA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)C1(C)CCCC1	2018136117	HPYOKUSIJOWLHB-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(CC2(CC)CC2)CC1	2018983472	XAMMTKBOPFOFBI-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1ccc2sccc2c1	2022414989	OSYDZRUZFBLMHT-MFKMUULPSA-N	244.359	4.520	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1C[C@@H]1C(C)(C)C	2022498061	GFWLINXURLWVJA-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC(F)=C2CCC2)C1	2023187177	OSANOKRIALAYSN-DGCLKSJQSA-N	238.346	4.570	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CCCCC(C)(F)F	2023321331	DLBBYPUOLQYLEB-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CCCC(C)(C)C1)C1CC1	2024093764	DTNKFYBMXSQTQV-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(C[C@H](O)C(C)(C)C)CC(C)(C)C1	2024120556	XCOWBDOFQZTLJS-ZDUSSCGKSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2CC(C)(C)CCC2=O)C1	2024122790	GJNMMNCYNHRBLH-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2nc(CC3(C)CC3)cs2)C1	2026543753	DBWOQIKMNGMLJT-VXGBXAGGSA-N	249.423	4.779	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@H]3CCC[C@H]32)cc1	2027319156	KBRSEHACAGGWLO-LBRJOISOSA-N	243.394	4.801	0	10	BJAE	
CCCc1ccc(C(=O)CC[C@@H]2CC2(C)C)cc1	2027817982	IAUNBQXAZJSLBE-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CC(C[C@H](N)[C@@]23CCCC[C@@H]2CCC3)C1	2031758965	MIUSFJDGUJJYKC-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NC1CC(C2CCCC2)C1	2033766212	DKQZQEIBXAKHPP-LYAPFXNSSA-N	249.442	4.514	0	10	BJAE	
CN(CCC1CCC1)[C@H]1CCC2(CCCCC2)C1	2036770319	CVTQAMPQRBDYRE-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC[C@@](N)(CC1(C)CCCC1)c1cccc(C)c1	2037105341	ZMUQWEAYHQZWLN-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CC[C@@](N)(c1cccc(C)c1)[C@H](C)CCC(C)C	2037210099	QLXZLWRGNNDDDZ-WBVHZDCISA-N	247.426	4.631	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@@H]2CC3CCC2CC3)C1	2037980216	VXCPKJSPBQPWOA-ZALBZXLWSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CC1CC2(CCC2)C1)C1CCCCCCC1	2038083709	SGLYMTUQJHVKSU-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@](CNC2CC2)(CC2CC2)CC1	2039375301	JNVDPKVLMDWUDV-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCC1)[C@@H]1CCCC(C)(C)CC1	2039382000	VUDAHYZXKALBGJ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)[C@@H]1C=CCCC1	2043189503	BLBZFBGSHSLHJI-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H](C)CC1=CCCCC1	2043193181	XFVAZYISZMNYIV-DJIMGWMZSA-N	249.442	4.824	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@H]2CCC3(CCC3)C2)CC(C)(C)C1	2043607938	XNTGPTSQQKAUIJ-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@H]1C(C)=CCC[C@H]1C	2045811094	TYXRJHBZSKHPAF-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCN([C@H]2CCC[C@@H](C)C2)c2ccccc21	2046581157	KMTMQPCDBNJGKI-ILXRZTDVSA-N	243.394	4.579	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048411518	ZBDUDPCVCTYDPI-NBFUAULTSA-N	248.410	4.598	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)C2CC(C(C)(C)C)C2)C1	2048619864	VRVYFGCROLAFEW-QSFCEBDXSA-N	248.410	4.620	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2CCNC23CCCCC3)C1	2049511459	MABDJFGXOSKGHY-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@](N)(CC2CCC3(CC2)CC3)C1	2049851922	AWNZFJNHRFQFGB-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCCC2(CC2)C1)[C@H]1CC1(C)C	2049862059	FAGZEGLJUZNGLI-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCC(C)(C)C)c1ccc(C)cc1	2050432741	XTOCKBBBPWYLMT-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
Cc1cccc([C@H](N)C2(C)CCCCCCC2)c1	2052476212	SYEFDWJRSZKRMS-INIZCTEOSA-N	245.410	4.745	0	10	BJAE	
CC1=C(C)[C@@](O)(c2ccc(C(C)C)cc2)CCC1	2055592542	QIPZMLSGUMGBIT-QGZVFWFLSA-N	244.378	4.518	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1Nc1ccc(CF)cc1	2055671930	NIKMGSPVORHWHU-DOMZBBRYSA-N	249.373	4.783	0	10	BJAE	
CCC1CC(C[C@H](O)c2ccccc2C(C)C)C1	2056658187	VYMIYRZQABICGE-KVULBXGLSA-N	246.394	4.670	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2059202844	DGZDCBAEUMHBJJ-UNCVUKBVSA-N	248.410	4.908	0	10	BJAE	
CC=CCCC[C@H](NCC)c1c(C)coc1CC	2059261689	GSSPLBAJVJPRLA-AWEZNQCLSA-N	249.398	4.547	0	10	BJAE	
CC[C@H]1CC=C([C@@H](NC)[C@H]2CC[C@H](C)CC2)CC1	2061140172	LFUDRGOUKPEPLP-JKQORVJESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CC[C@@]12CCC[C@@H]1C2	2061606218	KGCQASXTMIHLTA-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)CC2CC(=C3CC3)C2)CCCCC1	2061665428	QEPCSOZFOUESQX-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
C[C@@H](C(=O)CC1CC(=C2CCC2)C1)C1CCCC1	2061696617	SBQPCBQNGHDXPI-GFCCVEGCSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@@H](CC1CC(=C2CC2)C1)CC(C)(C)C	2061725926	KFCSPCFLYYZVLX-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1CC(=C2CCC2)C1	2061735392	YGDQMUMWBSMNMP-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1CC(=C2CCC2)C1	2061739458	NSNBEDKLMTUBOC-GUYCJALGSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCCCCC23CC3)c1	2062016111	DJFTUTQKQYXOSB-HNNXBMFYSA-N	247.357	4.659	0	10	BJAE	
CN[C@H]1C[C@@H](C2CCCCCC2)CC2(CCC2)C1	2063643813	WOJKMXCVGVDCSV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@@H]2CCC2(C)C)c1	2068234138	UEIASEYZJJUFBO-HNNXBMFYSA-N	244.378	4.504	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1C[C@@H]2CC[C@@H]2C1	2068721612	BBFMCDDUPGLRHY-WCVJEAGWSA-N	246.394	4.518	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@]23CCCC[C@@H]2C3)CCC1	2069337282	JLZKJSBWYKIZKJ-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@]2(C3CC3)CCCCCN2)CCC1	2069344592	MLNVDZAKZHWYPG-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CCNC[C@@]1(C[C@H]2CC[C@H](C)CC2)C=CCCC1	2072797786	CMTQPQTXKLRWFM-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@](O)(CC)c1cc2ccccc2o1	2073343706	YJURWBIAGUGHOT-MRXNPFEDSA-N	246.350	4.611	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)C[C@@]12CCCC[C@H]1C2	2074092377	XAZWMSCCRYQMTN-XBVQOTNRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCN([C@@H]2CCC23CCCCC3)C1	2075018458	ZJPLBIQWZWPHAV-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
C1=C[C@H](Oc2cccc3ccccc23)CCCC1	2075410500	ZPNPDRCTDGNABM-HNNXBMFYSA-N	238.330	4.717	0	10	BJAE	
CCC[C@](N)(CC1CC(=C2CCC2)C1)C(C)(C)C	2075821798	WKAXAGPMZOPURD-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1=O	2076445344	YXJSFEZVALKRMV-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CCCCc1ccc([C@H]2CCC(=O)[C@@H]2CC)cc1	2077923084	JLKOWSDCGAQCFS-HZPDHXFCSA-N	244.378	4.502	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC=CCCC1)[C@H]1C[C@@H]1C	2079225942	ZCLBQTAMTLBGFX-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(N)(C[C@@H]2C[C@H]2C2CCCCC2)CC1	2079669270	GBKCYEJQUGJOOA-DBGUYSSFSA-N	249.442	4.501	0	10	BJAE	
Cc1cn(C[C@H]2C[C@@H]2C2CCCCC2)c(C)c1C	2079818270	IJGBBZNUXAKJEI-IAGOWNOFSA-N	245.410	4.630	0	10	BJAE	
Cc1cccc(C(=O)CC[C@H]2C[C@H]2C(C)(C)C)c1	2079851748	MYMRYWFXAQWGRU-DZGCQCFKSA-N	244.378	4.640	0	10	BJAE	
N[C@]1(CCC2CCCC2)CCC[C@H]2CCCC[C@H]21	2081130793	AHJRMLLRNMAFJY-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@]23CCC[C@@H]2C3)C1	2082984748	DCCINBHDNRQSER-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(CN)CCC23CCC3)C1	2082989949	DRVMVEVELATESQ-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc(-c2ccc3cc(O)ccc3c2)s1	2087917051	ZAAARCHWJJGPCU-UHFFFAOYSA-N	240.327	4.582	0	10	BJAE	
CCC(CC)(CC)CNC[C@@H]1CC=C(C)CC1	2215832137	FWDKYQVQSUYDFL-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCC[C@@H](C(C)(C)C)C1	2216259410	UCRNVIANYWSYIZ-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C(C)(C)CCC	2216278400	JXIXDNDADKNGJB-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218331000	INMVGERDTJYXQF-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C(=O)C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218333180	ONXJCJQXTAOFCV-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218379502	DWGNHYALGYYINY-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCNC[C@]12CCCC[C@H]1C2	2218733601	YFLZYPYHEUKYJD-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
CC(C)c1cc(NCCC2=CCCCC2)ccn1	2220883361	PCHOHCSVLWKDBD-UHFFFAOYSA-N	244.382	4.507	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)(C)C1)c1ccoc1	2221017714	WBGQDHJRNVRQKJ-CQSZACIVSA-N	249.398	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C[C@@H]2CC=C(C)CC2)C1	2221609758	MLEUVUFVSKBPMK-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](C1CCC(C)CC1)[C@]1(C)CC=C(C)CC1	2221621440	DNQJHIZPTLAEMQ-OKEQZYBDSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2CCC[C@H](C)C2)CC1	2221645019	WAWZPVWMLDQANF-UXLLHSPISA-N	248.410	4.908	0	10	BJAE	
CC[C@H](C)NC[C@H](c1ccc(C)cc1)[C@@H](C)CC	2223549440	JDMBNGSFJJUHIR-ZOBUZTSGSA-N	247.426	4.513	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)c1ccc2occc2c1	2224139034	HJGQBFWYBGBKER-MLGOLLRUSA-N	246.350	4.539	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)c2ccsc2)C1	2242764097	UVHBMRQNNDQKAT-RYUDHWBXSA-N	236.380	4.537	0	10	BJAE	
CC[C@@](C)(CN)CC[C@H](C)CCCC(C)C	2244835823	GRCXQTCLSDAQMY-HUUCEWRRSA-N	227.436	4.604	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CC1(C)CC(C)C1	2246558900	QLCBAPZTVYVLGL-PCKAHOCUSA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)C[C@H]1CCCCC12CC2	2246612567	ZIKMSAVBOUUFHE-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](N)CC[C@@H]1CCCCC12CC2	2246629515	HBWVNAGNVNKREE-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCCNCC[C@H](C)CC[C@H]1CCC[C@@H](C)C1	2246687560	PEZPLIWIVRWASW-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CCCC[C@H]1C[C@@H]1C	2247175101	YRDPLFLYVOSNHA-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CCCC[C@H]1C[C@@H]1C	2247176811	RWMVLCGDVISVIU-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@H]1C)C(C)(C)CC	2247177479	WSPRIXRFCYFTSX-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](N)CCCCC[C@H]1C[C@@H]1C	2248808358	RBTXOHDLQSNVPH-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(N)CC2(CC2)C1	2250469117	LFXWWEYARHQFQY-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@]23CCC[C@H]2CC3)s1	2251163605	RGIGMIMREATVQD-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@]12CCCC[C@H]1CC2	2251164314	WJHZFVNVKOSNED-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H]1Nc1cccc(C2CCCC2)c1	2251254951	GANCMNFQEAJPQC-WBMJQRKESA-N	229.367	4.555	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)C1CC2(CCCC2)C1	2254568280	GFLXRFGKAZGRKU-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1(N)CCC2(CCC2)CC1	2254603864	FHSSCYYHUWWQNQ-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc(C(=O)CC2(C)CC(C)C2)cc1	2256237667	MJPUMMUIOMWTBX-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
C[C@H](N[C@@H]1CCCCCC1(C)C)[C@@H]1CC12CCC2	2256447647	OECKCSNAKAVYCL-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@@H]1CCCC2(CC2)C1	2257314579	GVJGLOICBARNSF-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)(C)C)c1)[C@@H]1C[C@@H]1C	2257885356	HQNPWLXRKAWVDS-MAZHCROVSA-N	245.410	4.831	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC(C)(C)c1ccccc1	2259436069	FDKRJEXJMRURIQ-HOCLYGCPSA-N	248.410	4.542	0	10	BJAE	
CCC1(CC)CCCN1C[C@@]12CCCC[C@@H]1CC2	2260570824	RJODLIJNBBRUFD-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
C[C@]1(C(=O)C[C@@]23CCCC[C@@H]2CC3)C=CCCC1	2260627296	RNIXCSGUEPGVJR-PVAVHDDUSA-N	246.394	4.662	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(C[C@@]23CCCC[C@H]2CC3)C1	2260677711	HDKVCGFSYLVVCX-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@]1(O)CC(C)(C)CC[C@H]1C	2300684287	SEHIJOMXNADEQI-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@H]1CCNc2ccccc21	2300701060	PCGLWZPDZVIRPJ-CQSZACIVSA-N	231.383	4.802	0	10	BJAE	
CCC(C)=CCN[C@@H](C)[C@@H]1CCCC(C)(C)C1	2300862970	JNSMTKQFONKVEH-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(=CCC1(O)CC(C)(C)C1)CCCC(C)C	2300915382	BBMXBCYQEPYCCK-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCCCCC(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2301338939	ODYCJBZDOKGXEF-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC[C@H](N[C@H](C)[C@@H](C)C(C)C)C1CCCCC1	2301706488	GFMBWODIAUOALB-LZWOXQAQSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)CC(=O)CC1CCCCC1	2301843936	MYOBJPRAKSPSEP-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)C[C@H](O)CCCC1=CCCCC1	2302328016	FLCXOJQVLMDUPQ-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1CCCC1=CCCCC1	2302344377	FKTYFZSBKMROOB-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
C[C@H]1CCC[C@](O)(CCCC2=CCCCC2)C1	2302362483	ZLXNQQYTOSHMQK-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
N[C@@H]1CCC[C@H]1CCCCCCCCC1CC1	2302503333	IAEZRZLPFNNMRT-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CCCCC1CC1	2302569077	GIQNSNYHCDKGCG-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)CCCCC1CC1	2302572649	WMFAHZPOSKAHPR-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)CCCCC2CC2)CC1	2302573994	KEWVZHVSEITAFN-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@]1(C[C@@H]2CCC(C)(C)C2)CCCN1	2302906018	SZKRWBMILRAZGU-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CC[C@H]1C(C)(C)C	2303393174	NTILMZUTRSSNPG-MGPQQGTHSA-N	239.447	4.616	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CCCC1CCC1	2303419677	GNQGINLCRQSVSJ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC[C@](C)(O)C2CCCC2)C1	2304352372	QZZIOFIQMRYFEH-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C[C@@H]1CCC12CCC2	2307908782	QZOFHQQGNQBTLJ-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CC(C)=CCCNC(C)(C)C	2307909830	VYDDIHHXKNELTC-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@H]1C)c1ccccc1C(C)C	2310789941	LRQZGRMHVVWGBU-KEYYUXOJSA-N	245.410	4.507	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C[C@@]12CCCC[C@@H]1C2	2311143403	QERVFZWXHIUISD-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313185831	ZGOSDTQJJXODHR-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C(CC2CC2)CC2CC2)C1	2313704076	HVSVJPDAJXZLKV-DOMZBBRYSA-N	248.410	4.598	0	10	BJAE	
N[C@@H]1[C@H](CC2CCCCCC2)C[C@@H]2CCCC[C@H]21	2316871242	YYOYMPKYGXECPF-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H]1C[C@@H](C)C[C@@H](CCCC2=CCCCC2)C1	2318592520	KBJGLXOBZCGSSZ-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(CC(=O)CC[C@H]2CC[C@@H]2C2CC2)C1	2319698474	YAKSAAUBNYKQIQ-GOEBONIOSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@@H]1CCC[C@@H]1C[C@@H]1CCC(C)=C(C)C1	2320391225	RKQMLCDLHRVFJX-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC(C)=C(C)C1)C1(C)CC1	2320413005	LNHIQIRNYXZZSI-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@H](N)c2cccc(C(C)C)c2)CC1	2320524446	YVNOZWGNVOEBPK-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC(C)CC12CC([C@H](N)CCCCC3CC3)(C1)C2	2321596510	ZATKUSWAWNNROK-KLAILNCOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2CCCC23CC3)C1	2321637984	XHMUOMHIENJDIM-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(C)cc(OCc2ccc(Cl)cc2)c1	5539616	RLPDDKOYAQMNII-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2C[C@H](C)CC(C)(C)C2)c1	20471622	GLQUKRNPLGYZPU-QWHCGFSZSA-N	249.373	4.761	0	10	BJAE	
CCc1cccc(N[C@@H](C)c2ccc(C)cc2)c1	20546607	DSIOZXIEVXIDSE-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccccc2C)cc1C	21051028	NFRSEYUHQVDMSO-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CC[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)C(C)C	37292278	IOMRWPUSFFBOIF-CVEARBPZSA-N	247.426	4.798	0	10	BJAE	
CCSc1ccccc1N[C@H](C)[C@H](C)CC	71104747	IWWDYMLFHTZSCG-VXGBXAGGSA-N	237.412	4.645	0	10	BJAE	
Cc1ccc(Cl)cc1CNc1ccccc1C	83374632	KGKCZGJENJOUOT-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CC(C)C[C@@H]1NC[C@@H](C)c2ccc(C(C)C)cc21	84231252	LLBWOASPHXVSAC-DYVFJYSZSA-N	245.410	4.604	0	10	BJAE	
CC(C)c1ccccc1OCCC(C)(C)C	85151580	OSFJSYNNLNONHD-UHFFFAOYSA-N	220.356	4.625	0	10	BJAE	
CCCC(CCC)Nc1cc(C)cc(F)c1	85729940	SRUPDPKJPGCHOU-UHFFFAOYSA-N	223.335	4.515	0	10	BJAE	
CC[C@@H](C)[C@@H](N)c1ccc(Cl)c2ccccc12	93656277	LULDXTDTKDKSNI-MEBBXXQBSA-N	247.769	4.539	0	10	BJAE	
Cc1ccc2oc([C@@H](N)CCCC(C)C)cc2c1	97384803	KQHMCQMRGXKTFA-AWEZNQCLSA-N	245.366	4.567	0	10	BJAE	
Cc1c(C(C)C)cc(Cl)cc1C(C)C	111352220	UHDIGKFOULRONL-UHFFFAOYSA-N	210.748	4.895	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCC(C)(C)C2)cc1C	131308706	PQHNVFXIENFDNN-ZBFHGGJFSA-N	245.410	4.533	0	10	BJAE	
CCCCC1CCC([C@@H](O)C(CC)CC)CC1	131757169	DJNHNKLTXHXLBR-BCLQGDPASA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1cccc(C2CCC2)c1	133548239	QFDXVKUFMOWRHE-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H]1CCCCC[C@H]1CNCC(C)C	155868013	NGMGMJJEXZKSBD-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccccc1C(C)(C)C	157336744	ULBQDFLCDLNDBM-INIZCTEOSA-N	248.410	4.844	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C[C@H](C)CCC	162164668	VLEKXYFLBSLLJV-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H](NC[C@H](C)C(C)(C)C)c1ccccc1	162739594	GDHYPBSYVLYWHK-GOEBONIOSA-N	247.426	4.656	0	10	BJAE	
CCC[C@H](C)CC(=O)c1csc2ccccc12	165071831	QXORGOGQYPONCE-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)C1CCC(CC)CC1	168791433	SMUWEJNKERYWGF-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](C)c1ccc(C)c(C)c1	212525101	BGLNHZSOICZSBB-WBVHZDCISA-N	247.426	4.575	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CCCC[C@H]1C(C)C	224961960	DBOAQYFHKJWAFJ-DZGCQCFKSA-N	249.373	4.761	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCC[C@@H](C(C)C)C1	230986227	WUYGWZOBDGITIF-UKRRQHHQSA-N	249.373	4.761	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCC[C@@H](C(C)C)C2)c1	230995360	HBGSMBLFWIMHLV-UKRRQHHQSA-N	249.373	4.761	0	10	BJAE	
CCCCC1CCC([C@H](O)[C@@H](C)CCC)CC1	232929233	IRTQGHONFDLYIP-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
c1cc([C@H]2CCCN2)ccc1C1CCCCCC1	258369292	SYOQSIGGZMSEOV-QGZVFWFLSA-N	243.394	4.549	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)[C@H](C)CCC	300350821	YHFQBXWGHVUKQW-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
CCc1ccsc1[C@@H](N)CCCC(C)(C)C	300925081	UJCBUKVSAZQENV-LBPRGKRZSA-N	239.428	4.527	0	10	BJAE	
CC(C)C[C@H](CNC(C)C)C[C@H](C)CC(C)C	302441615	WKTGNDRRNFFTKP-CVEARBPZSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](Nc1ccccc1C(C)(C)C)C1CC1	306074821	YPCTYSDYDKYRJT-HNNXBMFYSA-N	245.410	4.975	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)C1=CCCCCCC1	308020773	JZGWSWOBMRVUTI-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1(C)CCCC1	308054780	LFAZZQRWAYETGU-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC[C@H](NCC(C)(C)C2=CCCC2)C1	308758907	SJNSNPUULVORJE-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CC(C)C)C(C)(C)C	309991619	RCPDUNBGSPKILB-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](C[C@H]1CCCCC(=O)C1)C1CCCCC1	310336315	MVUFBTLPPXJJOE-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)C[C@@H](C)c1ccccc1	310571556	WBGWOZGEXJRPTB-ZMSDIMECSA-N	248.410	4.613	0	10	BJAE	
CC[C@H](NCC1CCCCC1)c1cccc(C)c1	310958113	SUHLUYZNMCOHAB-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CNC[C@@]1(CCC2=CCCCC2)CCC[C@H](C)C1	316946531	GUAYHFBMOQAXHY-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H](C)C1(CNC(C)C)CCCCCC1	319128554	IVNZWMINSXNQGO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](C(CCC)CCC)[C@H](C)C(C)C	319779089	GPHPNUIXPZGRAJ-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](Nc1cc(C)ccc1F)C1CCC1	322311917	YUEVPWYVWJFTCP-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
O=C1CCCC[C@@H](CC/C=C\c2ccccc2)C1	324122600	INIYZHWDADDTSU-AGHZKPIHSA-N	242.362	4.629	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1C=CCCCCC1	383133686	WWAULALBQXHGCC-AWEZNQCLSA-N	249.785	4.949	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCC[C@H](C)CC1	383245293	JJNZAKBQOXBFOC-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC1(C[C@@H](NC)c2ccc(C)c(C)c2)CCC1	386592444	JOXWTEHGYPPFKH-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
C[C@@H](Nc1ccc(C(C)(C)C)cc1)C1CCC1	393363368	JFXVHVRTYOJKEL-GFCCVEGCSA-N	231.383	4.585	0	10	BJAE	
CC1(C[C@@H](CNC2CC2)C2CCCC2)CCCC1	394488512	IXOICFXMCXVFOX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@](C)(O)CCCCCC(C)C)cc1	394851695	FVUMSHQEZVKZMP-KRWDZBQOSA-N	248.410	4.809	0	10	BJAE	
Cc1cc([C@H](N)CCC2=CCCCC2)sc1C	395061949	HFWYUHLUTOELTP-CQSZACIVSA-N	249.423	4.645	0	10	BJAE	
CC1CCC(NCCCC2CCCCC2)CC1	395250864	DUSAHNPVZHNNHY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C=C(CCCC)[C@H](O)CCCCCCCC	396152225	RJRJDESAEWORBS-OAHLLOKOSA-N	226.404	4.844	0	10	BJAE	
CCc1cc(S)c2c(C(F)F)csc2c1	396235177	FPCPQIMIGYIBGE-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
COc1cc(C(F)F)cc2sc(Cl)cc12	396287310	IZRNOEOISVXPLI-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1ccc2c(F)c(C(F)(F)F)sc2c1	396301034	QKXIEJXNYRIYMM-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@H](Nc1ccc(Cl)cc1)[C@@H]1CC1(C)C	397749127	BOLWTBRHWFIEIY-STQMWFEESA-N	237.774	4.577	0	10	BJAE	
CC1(C)CC(=CBr)CC(C)(C)C1	606288010	HHQGRDANEOXAKL-UHFFFAOYSA-N	231.177	4.502	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)CCC1CC1	688356522	PDOSHEYJICXISW-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC(C)C)c1cccc(C(C)C)c1	688920094	IKBYTDUARIOKJJ-INIZCTEOSA-N	233.399	4.507	0	10	BJAE	
CC[C@H]1CCC[C@](O)(c2cccc(C(C)C)c2)C1	688936691	CGLUUMPQLGLPGN-WMLDXEAASA-N	246.394	4.598	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@]23CCCC[C@H]2C3)c1	688938290	UDQKUCRYPCBYHQ-DOTOQJQBSA-N	242.362	4.573	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CCC[C@H]2CC)c1	689611058	JMOVHXBPIKIJSA-ZBFHGGJFSA-N	245.410	4.802	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H]2CCC(C)(C)C2)c1	689611937	LCWSYTHYEOVQOS-OAHLLOKOSA-N	245.410	4.802	0	10	BJAE	
CCc1ccc(CC)c(N[C@H]2CCC[C@@H](C)C2)c1	689615893	WEGIQBLLLMMIBG-CJNGLKHVSA-N	245.410	4.802	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(C)c(OCC)c1	689661865	ONMUELIYEZPZQQ-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCCCC(C)(C)C	691056700	ZUHCKRXSQGLXIO-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cccc(C(C)(C)C)c1	691674432	MGWKNKWPVCFUMR-CHWSQXEVSA-N	246.394	4.849	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@]12CCCC[C@H]1C2	693209669	ACFZNFNGCHHUQE-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@@]12CCCC[C@H]1C2	693209676	ACFZNFNGCHHUQE-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CNC1CC1)C1CCCCCC1	696837363	MSVGAMNUZXTWES-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCN[C@H](C)CCCC(C)C	703981370	ZZGSNHVHRJXFHJ-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@]2(N)CCCCC23CCCC3)C1	704489219	QBSSBTGEFUASQB-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C/C=C/[C@H](NCCC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	704679663	SAYDEHJFZZANGW-XDJIDGEZSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@H](C)CC(C)(C)C	709198258	FQSGMIUOGMNPCN-HIFRSBDPSA-N	227.436	4.602	0	10	BJAE	
C[C@@H](C[C@](C)(O)CC1CCCCC1)C(C)(C)C	710747172	INGQUXXAWSLZFT-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@H](C)C(C)(C)C)CC1	710752219	SCPIQLGSPRFLCX-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@@]1(C)CC[C@H](C)C1(C)C	710770717	SXGIUPAJFJMTEX-WFGGJUAMSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H](C[C@H](CC)C(C)(C)C)C1CCCC1	711068739	KVWUDNJQAIXPST-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(=O)C1CCCCC1)C(C)(C)C	711173935	BNCHTTHXPRKIJH-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(C[C@H](C)C(C)(C)C)C1	711224257	IFDBBFPNQCMTFQ-SQWLQELKSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1CCC2(CC1)CC2	711321111	MJINPLKJFKFVRQ-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@@H]2CCCC[C@@H]21)C1CCCC1	712463200	KGYFQGKGZKVPDO-QAETUUGQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1C[C@@H]2CCCC[C@@H]21	712510765	SQCBJJZHBNTWIE-HJWJTTGWSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@@]1(CNC(C)(C)C)CC(C)(C)C	713313173	AZGJSIVKVQYCJR-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CC(C)(C)CC[C@@H]1C	717535743	VMXAXMONSXRMKD-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CCCCc1ccc(NCc2cc(C)co2)cc1	718094424	NSAWJWCFGPMBJA-UHFFFAOYSA-N	243.350	4.543	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)c1ccc(C)o1	718636344	WQUDGLZJPSKCFH-OAHLLOKOSA-N	249.398	4.765	0	10	BJAE	
CCC1CCC([C@@H](O)CCC(C)=C(C)C)CC1	718728600	TWKZKMKSIGPKTA-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C)c1nnc(C=C2CCC(C)(C)CC2)o1	1329051976	NZKBBNVTZQDVRY-LLVKDONJSA-N	248.370	4.567	0	10	BJAE	
CCC[C@H](C)CCNC1CCC2(CCC2)CC1	1663165053	LOVUTUDCVOIKMB-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(Cl)cc(CCCC(C)C)c1	1889470770	ZOLGZJOXFKABIW-UHFFFAOYSA-N	210.748	4.627	0	10	BJAE	
CCC(CC)CC[C@](O)(CC)CCC(C)C	1900702798	KCRYYXMNCFWTKR-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C(C)(CC)CC	1900872695	ZWSWCYNSHGVSLB-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](C)[C@H](N)CC=C(C)CCCC(C)C	1900900759	OBGXVWIGUBWAKS-LSDHHAIUSA-N	225.420	4.523	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)C(C)(C)C	1905445487	QIJGPBCLWVNGCB-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(=CCl)CNc1ccc(C2CCC2)cc1	1911613506	LUDJVLLKLRXZDO-UHFFFAOYSA-N	235.758	4.509	0	10	BJAE	
CC(C)(C)NCCC=CCCC1CCCCC1	1911855215	LWCMJBJXDGMEFB-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(F)c(C)c1	1911945226	BRRJAKCBGJPYBL-LLVKDONJSA-N	206.304	4.594	0	10	BJAE	
CCCCCC[C@H](NC)C1CC2(CCCC2)C1	1912594644	ILUPTAADBMMALI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@H]1CCC[C@H](C)C1	1919960180	OASSKDSBDNCYRQ-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CC1CC(C)C1)C[C@H](C)CCC	1925120736	VAOBAYZMBBHJDV-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1C[C@@H]1C=CCCCC1	1925850264	YKJXPAAXXZGSJO-OAHLLOKOSA-N	228.379	4.928	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)C1=CCCCCC1	1927000525	QVLWCMDKVPISPE-DQPZFDDXSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1cc(Cl)cs1	1933799247	MCEDHNOXMQDKTB-SNVBAGLBSA-N	245.819	4.618	0	10	BJAE	
CC[C@@H](C(=O)c1cc(C)cc(Cl)c1)C(C)C	1939710900	NFKIJKWMHHIXBN-CYBMUJFWSA-N	238.758	4.513	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1(C)C(C)(C)C1(C)C	1940282743	OYSULNBICYPPLK-GFCCVEGCSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)C(C)(CC)CC	1940872459	MMIOSENBDBOWJZ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC1(CNCCCCCC2CC2)CCCCC1	1941580524	AWSHQIQNWBWAJY-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC(C)CC(C)(C)CNCCCCCC1CC1	1941584690	AZYKPPSQXGVOSB-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@H](C)CCC(C)C	1942656325	AWAUWMMQDJXMBY-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)c1cccc2c1NCCC2	1942662591	QIUFKPCQEFOVSK-CYBMUJFWSA-N	231.383	4.584	0	10	BJAE	
C[C@@H]1CC(CCCCNC(C)(C)C)C[C@@H](C)C1	1943036589	LMXHEGHXVGICAJ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C(=O)c1ccc(C2CCCC2)cc1	1944121372	GRWITRKBISAGRI-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CCCCCC[C@H](N)[C@@]12CCCC[C@H]1CCC2	1944156743	SSHNONVHWRTZRQ-HRCADAONSA-N	237.431	4.645	0	10	BJAE	
Clc1cccc2c1ccn2C[C@H]1C=CCCC1	1947569365	KIKYJMZGYULOFQ-LBPRGKRZSA-N	245.753	4.651	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)C(CC)CC	1947575142	FKXXOJXTJAZYGI-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(N)[C@@H](C)CC(C)C	1948324488	ADUDBAMCLLTGGP-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC(C)(C)C(C)(F)F	1949014009	WFDANRDFTWGNJP-LLVKDONJSA-N	249.389	4.602	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C1C[C@@H](C)C[C@H](C)C1	1949041560	NKUYRPPNJPEDDQ-HEHGZKQESA-N	237.431	4.523	0	10	BJAE	
C[C@@H](C[C@@H]1CCC(C)(C)C(=O)C1)CC(C)(C)C	1949661708	YTHUGZATWFINQQ-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)CCC(=O)CC1CC2(CCC2)C1	1949735070	XBCLISAVZYALMS-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)CC)CC1CCCCC1	1949923449	QQPCYSFBYINBLD-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)[C@H]1CCC[C@@H](C)CC1	1950911659	QFKPLMLCSDPJTR-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@H]1CCC[C@@H](C)CC1	1950925445	TVFQHXBPBXTLBT-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](CC1(C(C)=O)CC1)c1ccccc1	1951615107	QFPAXHFTICKSEF-CZUORRHYSA-N	244.378	4.576	0	10	BJAE	
CCCC1(C(=O)c2cscc2Cl)CCC1	1959880862	YAKFUEHQKDXLEH-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)cc1)C1CC2(CCC2)C1	1968266340	YIRNBWJKCIYXHB-LLVKDONJSA-N	249.785	4.721	0	10	BJAE	
CCc1ccc(NCC2CC(C(C)(C)C)C2)cc1	1968314107	PFJIBNMFQSKJIQ-UHFFFAOYSA-N	245.410	4.733	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H](C)CC1CC1	1968598392	XNJXWHDUARDKKO-ZDUSSCGKSA-N	231.383	4.719	0	10	BJAE	
Cc1c(F)cccc1NCC[C@H]1CCC[C@@H](C)C1	1968648707	QAXYUWVPDVGPSV-TZMCWYRMSA-N	249.373	4.762	0	10	BJAE	
CCC1(CNC(C2CCCC2)C2CCCC2)CC1	1969491299	BGTPHJCQVDYWOO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)C[C@H](C)C(F)F	1971390308	VLGUHHZLXOYURS-AVGNSLFASA-N	249.389	4.615	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)C(C)(CC)CC	1976011490	WLTRZOQFZJMZJY-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](C)CC1(N)CCC(CC)(CC)CC1	1981061605	XNONJOXWKDFFDW-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](N)CCC(C(C)C)C(C)C	1988258706	FLLOIEOGGMKKOP-AWEZNQCLSA-N	227.436	4.602	0	10	BJAE	
CC(C)CCCCCN(CC(C)C)C(C)C	1990849038	LUGROJUKIXXDQL-UHFFFAOYSA-N	227.436	4.569	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CC=C(C)C)CC1	1993587025	IEEGAYRUZRITCH-HDJSIYSDSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCC=C(C)C	1995205774	VLSPNUUALCKOHT-CQSZACIVSA-N	224.388	4.908	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CC=C(C)C)NC	1995259119	KGRJFWUSUCJSGE-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
C[C@@H](C[C@@](C)(O)C1(C)CCCCC1)C(C)(C)C	1995991935	SYPTVDOWEDIUOT-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CC[C@](O)(C1CCCCC1)[C@@H]1CCCC[C@H]1C	1996552718	CRLGSIYDUGSLGC-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCC[C@@H](CC)CC1	1997114605	FDCCJJWCJVHEJD-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1CC(C(C)(C)C)C1	1998256808	ZWBJKXIBCZGFBM-RUXDESIVSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](C)(CNCC)C1CCCCCC1	2000503975	CRSCGNQUGOQUDR-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCCCC[C@H]1CCCCCC[C@@H]1NCC	2003097612	HDYMPYUSLBYRIW-HOTGVXAUSA-N	239.447	4.905	0	10	BJAE	
CCCC(CCC)CNC[C@@H]1CCC(C)(C)C1	2004719720	YFEKXFGBLSKYRY-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CO)CCCC1(C)C	2005576027	IJTDLVQCOBDGRG-HOCLYGCPSA-N	240.431	4.782	0	10	BJAE	
CCCN[C@H]1C[C@@H](CCC(C)C)C[C@@H](CC)C1	2006623894	MUVFIPFKEYZJTR-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)CCCC2CC2)CC1	2007693508	GBSZPRXJEWXZNK-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@]1(C)CC1(C)C	2009598550	PBIOJXBJUCICES-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)CCC(C)(C)C)CC1	2010715008	JVVXZROHSKXQEL-HIFRSBDPSA-N	237.431	4.523	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCCCC12CC2)C(C)(C)C	2011273821	FLIWAUFDMQBPHP-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](O)CC1CC2(C1)CC(C)(C)C2	2011836827	HKGCKTPJQMDUDC-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)C1CC2(CC2)C1	2012412760	PSLPBGRUNBYHNN-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](CN)(C[C@@H]1CCC=CCCC1)C(C)C	2012432903	KFHYCDMEVWRCNN-CVEARBPZSA-N	237.431	4.524	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCC[C@H](C)[C@@H]1C	2013263742	JEBRBOKLHKNEFW-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](CC(C(C)C)C(C)C)[C@H](C)CC	2015290699	MJZXCTFHSQJCQM-ZBFHGGJFSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@@H](C)CN(C)C1CCCCCCCC1	2015333512	CRHNFVJHRUPEKP-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC(C)[C@H](C)CC1(N)CCCCCCCCC1	2015411177	YWGXMQYBFNXSRP-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(O)CCC(C)(C)C2)CC1	2017653947	ZLGLUTOFACKOTB-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CNCC(C)(C)CC)CC1	2017663871	ZNKCICWFUNJHHF-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)C[C@H]1CC[C@H](CC)CC1	2017724820	ZPLGPEWOBRYSQA-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(C)c(F)c1	2018139126	OIMUTVVYEWVIDC-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
CCC1(C)CCC(N(C)[C@H](C)CC(C)C)CC1	2019295008	GSONFEPYEDPSSA-QQFBHYJXSA-N	239.447	4.712	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1C[C@@H]1CCC	2022381597	FFHQZPGLZAPGQG-VUSXOHGVSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](C=C1CCC1)NCC	2022672994	OMVOFPWOYUDDEP-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@@H]1CCCC(C)C	2024511277	SQWZCKAJBAHRKS-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](O)c1ccc(-c2ccccc2)s1	2025593625	ADXBFDSDNFFRHK-CYBMUJFWSA-N	246.375	4.639	0	10	BJAE	
CC[C@H](C)Cc1csc(-c2ccccc2F)n1	2026531296	MDHQILUAWMFBET-JTQLQIEISA-N	249.354	4.538	0	10	BJAE	
Cc1ccccc1[C@](C)(O)CC1(C)CCCCC1	2027311812	ONROLCPFBHVBGM-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
Cc1ccc(C)c([C@H](O)[C@@H](CC(C)C)C(C)C)c1	2028238836	FCTAHRMHVBJULR-DOTOQJQBSA-N	248.410	4.655	0	10	BJAE	
CC(C)C[C@@H](c1nc2c([nH]1)[C@H](C)CCC2)C(C)C	2028266437	VPORLBKZVRPHDC-CHWSQXEVSA-N	248.414	4.635	0	10	BJAE	
Cc1ccc([C@@H](N)CCCCCC2CC2)c(C)c1	2028631702	RHQJKGHCDTYADS-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C(=O)CCC1CCCC1	2029600487	MHPCFHHCQOTCBV-OFQRWUPVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC1(C2CCCC2)CC1	2029738594	UCXSXIIJWDEXHL-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc2c3c([nH]c12)C[C@@H]1CCCC[C@H]31	2034151195	XIDRCRAPHAFLOJ-STQMWFEESA-N	239.362	4.560	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C[C@H]1C=CCC1	2035597650	HHUXCVPMNQYPOJ-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(CC)c1NC[C@@H]1C=CCCC1	2035602827	XMAXWXKVKZTIEK-CQSZACIVSA-N	243.394	4.580	0	10	BJAE	
O=C1[C@@H]2CCCCCCCC[C@@H]2C12CCCCC2	2035891463	WEJHWHBZGHUCEG-CABCVRRESA-N	248.410	4.886	0	10	BJAE	
CCCc1ccccc1[C@](C)(O)[C@@H](C)CC(C)C	2036383683	PFLWOVTTZHDCSD-WMLDXEAASA-N	248.410	4.529	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@]1(N)C1CC2(CCC2)C1	2037135345	IFKRGVOACQMFJM-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@@](C)(N)CCC=C(C)C)cc1	2037145944	CJNCLYMNPHDAEW-KRWDZBQOSA-N	245.410	4.559	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@]1(N)C[C@H]1CC=CCC1	2037166913	OSIXARAIGWXEEK-TWMKSMIVSA-N	249.442	4.523	0	10	BJAE	
CC(C)CCC[C@@H](N)CC(C)(C)c1ccccc1	2037169725	XHOFUKPCKYRZEQ-MRXNPFEDSA-N	247.426	4.508	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2[nH]c(C[C@@H](C)C(C)(C)C)nc21	2038006764	IALHXULFXOSTRT-IJLUTSLNSA-N	248.414	4.635	0	10	BJAE	
O[C@H](CCC1=CCCCC1)CC12CCC(CC1)C2	2039353431	GKQSFCUAHJIEER-AQFXKWCLSA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@H](C)c1ccco1)C1CCC(C)(C)CC1	2040639553	VRHNUVTYFTWARR-QWHCGFSZSA-N	249.398	4.535	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)c1cc(C)ccc1C	2040726950	ZGHXCIDKMCXYHW-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C1CCC1)C1(C)CC=CC1	2042027472	NILKGOAMFRBRSL-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(CNC2(C3CC3)CCCCC2)CCC1	2042946836	KWSIRLIEXPUVDM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NC[C@@H]1CCC=CCCC1	2045320576	NWCYKAHFVSGZEK-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@@H](O)C[C@@H]2CCC=CCCC2)c1	2045335214	PTHNWCYBBPTSAR-WBVHZDCISA-N	244.378	4.555	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@H]2CC23CCCC3)CC1	2047011554	XXVPPYPBAKVUMZ-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@H]1CC12CCCC2	2047056763	VXNJVTPNHWSKLZ-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2CCC23CCC3)CC1	2047960628	ARSFRNQPDWYQAV-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC1([C@H](N)C[C@H]2[C@H]3CCCC[C@H]32)CCCCCC1	2048439266	IWMIYWAFTAFYIU-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC2[C@H]3CCCCC[C@H]23)C1	2048472178	WRZTYGNKDBFGAN-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CC1)[C@@]1(C)C=CCCC1	2050006163	LEVMKAVGZYAOPF-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)[C@]1(C)C=CCC1	2050006535	NTXKHLULWVHSOJ-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2C=CCCCC2)CC1	2051596276	RLVDCKAWILMCMU-OAHLLOKOSA-N	249.442	4.824	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@H](C)C2(C)CCC2)c1	2052332372	SKWIGTSOECQMCY-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
N[C@@]1(C[C@@H]2CCC=CCCC2)CCCCC12CC2	2053311997	ZVYLJGZMTLQHAW-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@H]([C@@]2(CN)CCCCC23CCC3)C1	2053413023	VBWNKIQOZNQBGH-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CC=C(C)[C@@H](NCC)c1ccccc1C1CCC1	2056777827	UFOBELWZDTYTGL-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CN[C@@H](C=C1CCCC1)[C@@H]1CCCC(C)(C)CC1	2056866881	APHSQLIFQMTXKI-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C=C1CCCCC1)CC1=CCCCC1	2056875760	KBUPAZQQBSYNCD-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)c1cccc(C)c1	2056876537	REXJXXCPMUJYEU-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCc1c(Cl)ccc(C(F)F)c1SC	2060053496	BASMGZAYKUJSHY-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C)CC1)C1(C)CCCCC1	2060920135	BYBSPIVLYAWOOJ-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(O)CCC3(CCCC3)C2)CC1	2061089228	RPEDWNQBGNBYMC-RHSMWYFYSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C1CCC1)[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2061098242	ICNALICDDSJEOO-WQVCFCJDSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H](C)C2CCCCC2)CC1	2061113519	PKLGAXONNKJGRH-JJRVBVJISA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC=C([C@@](C)(N)C2(C)CCCCC2)CC1	2061117622	ACMDWYWXURBNBE-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CC=C([C@H](NC)C2(C)CC(C)(C)C2)CC1	2061140585	OOEKNYYZJHQGPC-ZFWWWQNUSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C1=CC[C@@H](C(C)C)CC1	2061150292	KCXSWXUEFIWMIW-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@H](NCC)[C@@H]1CCCC(C)(C)CC1	2061565275	CCVANUVJYBKVDT-CVEARBPZSA-N	249.442	4.692	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)C[C@@]12CCC[C@H]1C2	2061616024	IFXHETXIBWOIRZ-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2CC(=C3CC3)C2)C1	2061704459	RIBFFYZVEWUVJO-WBMJQRKESA-N	246.394	4.662	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)CC1CC(=C2CC2)C1	2061725515	GLUDKMQGSCLBDS-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CCC[C@H]1C[C@@H]1C	2062620183	MFDGSCKPTRPSQS-ZQIUZPCESA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C1CC2(CCCCC2)C1	2062629854	IDOVGGURDVFHRZ-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)[C@H]1CC=CCC1	2062640555	DHYMQZUXITVNIW-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C(=O)CC1C[C@@H]2CCC[C@H]2C1)C1CCCC1	2063417562	DEQYMRHGPBRVHU-RCBQFDQVSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H]1C[C@@H](CCC2=CCCCC2)CC(C)(C)C1	2063640396	SRVDQSVICQCTBN-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CCCCC1)C12CCCC1CCC2	2063821333	GDSNIWZXMOMWJA-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCC12CCC(CC1)C2)c1ccccc1	2065281668	IOJIEEUKULUIFP-UHFFFAOYSA-N	242.362	4.620	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1cccc(C(C)C)n1	2066347424	QSFWQFVCIDRUPQ-DZGCQCFKSA-N	246.398	4.586	0	10	BJAE	
Cc1ccc(F)cc1NC1CC(CC(C)(C)C)C1	2067982894	LSYOQCYWVOXKGJ-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CC(C)NC[C@@]1(C[C@@H]2C=CCCC2)CCC1(C)C	2068233081	LGTWVZSINUYJIY-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@]1(CCCC1CCC1)CNC1CC1	2068244035	MUDOTXZMEASKPI-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2CCC23CCC3)CCC1	2071916039	VFSJESWWXKRYHN-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CC(C)C1(CC2(N)CCC3(CCC3)CC2)CCC1	2071939730	CVHHJCKVTPHDOJ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@]23CCCC[C@H]2C3)CC1	2074102401	QUFLFSNCDDSBEY-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@@H]2CCC23CCC3)CC1	2074646487	MXHVEPZUNZGLGY-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CN(C1CC2(CCCC2)C1)[C@H]1C=CCCCCC1	2074810784	RLTLPLAAZDCPLF-HNNXBMFYSA-N	247.426	4.530	0	10	BJAE	
CCCCc1ccc(-c2cc(O)ccc2C)cc1	2077926706	DDLJEVLBLMKJJM-UHFFFAOYSA-N	240.346	4.710	0	10	BJAE	
CC1CC(CC(=O)[C@@H]2C[C@H]2C2CCCCCC2)C1	2079489002	WLSJMNFPCXAUFG-FPCDFSMTSA-N	248.410	4.598	0	10	BJAE	
CCC1(NC[C@@H]2C[C@@H]2C2CCCCCC2)CCC1	2079651244	PAASOJZBXIGXBO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@@H]1C[C@H]1C1CCCCC1)[C@@H]1CC=CCC1	2079864519	MOSREAWQSPFUIW-PMPSAXMXSA-N	246.394	4.518	0	10	BJAE	
O=C(CC[C@H]1C[C@@H]1C1CCCC1)CC1CCCC1	2079867907	WHRRGTRZPJQSCC-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1C[C@H]1c1ccccc1	2079868265	XHTNDCNNEQTJMC-RDJZCZTQSA-N	244.378	4.576	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCC[C@H]2CCCC[C@@H]21	2081139117	AAHJUFUDFBHOBV-HLLBOEOZSA-N	243.394	4.766	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC2CC(C3CCC3)C2)C1	2083013601	GQIRDDWMGQKXJU-PESDSKBTSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@](O)(CC)CC1(C)CC(C)(C)C1	2211666081	RTMLLIMLQYMOKU-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC1CC(C)([C@H](N)CCCCCCC2CC2)C1	2213571316	GZYYLMGLIOIQDR-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C1CC1)[C@@H](O)CCCCCCC1CC1	2213579344	DUUPCULSEVQNKZ-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@]1(O)CCCCCCC1CC1	2213579539	GBQMNUNVIHCZHU-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@]1(O)CCCCC1CC1	2214563551	QYHLSDQXMFPURK-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](C)(CCCCC1CC1)CNC1CC1	2214568990	LQVIYJMMYDQJGH-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](C[C@H](N)C2CCCCC2)C1	2214765945	RDSOGZVUEYCDFW-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](NC[C@@]2(C)CC=CCC2)C1	2218041719	ZDBRZNGTCGPGNI-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(N)CC1(C)CC2(CCC2)C1	2221029397	ZPTMGUOBLZRYIP-RHSMWYFYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCCCCN1CC1(C)CC2(CCC2)C1	2221067513	JHZLADDHTPOFLX-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@H]1C)[C@]1(C)CC=C(C)CC1	2221629135	YPEUJJQYAFTLQC-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CC[C@@H](C)C[C@H]2C)CC1	2221645405	XUADPHWPYNBNOW-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](NC[C@@H]1CC=C(C)CC1)C1CCCC1	2221663194	JXJRBEXMRFOYGU-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@@H]1C(=O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222982582	UBVYMTOEDWTLAQ-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@]1(CNC2CCC2)C=CCC1	2223550571	MWUZALDDHFLHIU-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](c1cccc2ccoc12)C(CC)CC	2224183160	ZUVXRKUHTLOCFL-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
Cc1cc(C[C@@H]2C=CCCC2)c(C)cc1Cl	2244065683	UYVHWDLQBWXYLT-CYBMUJFWSA-N	234.770	4.856	0	10	BJAE	
C=C=CCC(=O)CC[C@H](C)CCCC(C)C	2244844442	AHMVFKIWGQZURV-CQSZACIVSA-N	222.372	4.529	0	10	BJAE	
C[C@H]1CCCC[C@]1(O)CC[C@H]1CCC[C@@H](C)C1	2246691476	IDDYQUVYXXDAMA-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CCCC2(C)C)C1	2246730594	FQDQSTIMIUQRFL-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H]1CC(C)(C)CCC1=O	2247098836	LYBPBHOWKWQGCB-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@@H]1CCC1(C)C	2247304219	SJNRKZQCEUGMFS-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)[C@@H]1CCCCC1(C)C	2247442280	HTFIQIYKOPAVMK-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC(C)=CC[C@H](O)c1cc(C)c2sccc2c1	2248584064	SCTSXTVNDSYAGD-AWEZNQCLSA-N	246.375	4.599	0	10	BJAE	
CCC/C=C/CNc1cccc(C(C)(C)C)c1	2249254739	SLIXBTHMGNGFBU-BQYQJAHWSA-N	231.383	4.752	0	10	BJAE	
CCCN[C@H](C1CC(CC)C1)[C@H](CC)CCC	2250372298	OXTZCAFNRMLJNZ-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@@H](N)CC[C@H](C)CCCC(C)C	2250479174	QSDYSEWJZDRCQT-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(O)[C@H]1C[C@H]1C	2250494669	XCBZAJZGPJYTQZ-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(O)CCC[C@H]1C	2250496027	NZHOBTZQYXFFNX-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CC(=CC[C@@H](C)CCCC(C)C)[C@@]1(C)CCN1	2250516951	MOFIJKSTODCIGN-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC(=O)c1ccc(SC2CC(C)(C)C2)cc1	2251126565	JGONZNHUHSUHDB-UHFFFAOYSA-N	248.391	4.560	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1ccc2ccsc2c1	2253067062	FJXZSPUBDPKIBF-CYBMUJFWSA-N	248.391	4.761	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCCCC12CC2)C1(C)CC1	2253803145	FJBNHDRTMWNEGD-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(=CC[C@H]1CCC[C@H](C)C1)C1CCC(N)CC1	2253932303	BBDYLWRAFONTJC-DFULUXCASA-N	249.442	4.667	0	10	BJAE	
Cc1coc(C)c1C(=O)CC[C@H]1CCC[C@H](C)C1	2253936198	RAXFXAVEVVRDEH-SMDDNHRTSA-N	248.366	4.686	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@H]2C=CCCC2(C)C)C1	2253962531	MNVQIUUJAZKOJI-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C1CC(CC2CC2)C1	2254589415	BNOMSGTVWIADGD-IYOFFGIQSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCc2cc(CC3=CCCCC3)ccc21	2255125469	AOVTWXZALUBZRQ-UHFFFAOYSA-N	240.390	4.953	0	10	BJAE	
CCc1cccc(OCC[C@@H]2CCCC23CC3)c1	2255310605	KNBCUONFZRMVHW-HNNXBMFYSA-N	244.378	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@@H]2CCCC23CC3)C1	2255314311	AATQBCBLQHDLBX-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1(N)CC2(CCCC2)C1	2257246398	FWIZTUNGZNZRJM-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN(C)CC1=CCCCC1	2257283603	NFPCEHYJAVJJAM-WBVHZDCISA-N	249.442	4.635	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@H]1CC12CCCCC2	2257314724	ZMYLVNQIGCUETE-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)C[C@]12CCCC[C@H]1CC2	2260570564	PYRJJPPCHWXHGL-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CC1CC(CC[C@H](N)C2=CC[C@H](C(C)C)CC2)C1	2261496400	YPOUULOBDCJTTO-NDTCATRNSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@](N)([C@@H](C)CC2CCC2)CC1	2298877250	BDFNEUDWMZEWIO-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H]1CCC1(F)F	2299008458	UJTHIKWKLVJLQS-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@]1(C)CC=C(C)CC1	2300681024	KPEDAKSAJVPQAC-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@H]1CCC[C@@H](C)C1	2300685721	ICGKILIGIUNSPF-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC(=CC[C@@]1(N)CC[C@H](C)C1)CCCC(C)C	2300889432	VWZGEGALBXLCCY-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC=CC[C@H](C[C@H](C)CC(C)(C)C)NCCC	2300896834	MYGDCFHHESIGBN-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CC(=CCC(=O)C1CC=CC1)CCCC(C)C	2300901551	KNLCFXQMOOAXCZ-UHFFFAOYSA-N	234.383	4.684	0	10	BJAE	
CC[C@@H](C)C[C@H](O)CC=C(C)CCCC(C)C	2300935959	ADIRRNCQADUCIV-GDBMZVCRSA-N	240.431	4.946	0	10	BJAE	
CC(C)CCC(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301140580	QFTQOWWGXISQCQ-KKUMJFAQSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@@H](C)[C@@H](C)C(C)C	2301699753	AWCCUXRFSQPJLQ-JONQDZQNSA-N	239.447	4.568	0	10	BJAE	
CCCN(CCCC1=CCCCC1)CC(C)C	2302352799	XWUWEVKQXKRIRL-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CC(C)(C)CC[C@H](O)CCCC1=CCCCC1	2302355384	AYPMXSPXOLTPIK-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)CCCCC1CC1	2302578469	ZTFVBASQHZXTAI-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CCC(C)(C)C2)CC1	2302877276	CHJGMMCQMSQIBI-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](O)(CC)CC[C@H]1CC[C@@H]1C1CC1	2303077687	IJQWPCUVDJRJLY-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@@](N)(C[C@@H](C)CC(C)(C)C)CC1	2303586102	ZYLWXICJQNNTIZ-LRDDRELGSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C2(C)CCCC2)C1	2304434521	DTKPQVWTPDBGOK-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](O)c1cccc(C)c1	2307818909	GRTPRDHSTSFRKK-ZBFHGGJFSA-N	234.383	4.635	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CCCCC1(C)C	2307904483	SYDZPFXIAAVYBR-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)CCC[C@@H]1C[C@H]1C	2310421978	AQTANCQDRRSCIH-HWMZRRJGSA-N	249.442	4.667	0	10	BJAE	
CCc1cc(C(=O)[C@@H]2CCC[C@@H](C)C2)ccc1C	2314701287	AZYBOXGIRBDIFA-IUODEOHRSA-N	244.378	4.566	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1CCC1(C)C	2315866341	QMVANWPQEFVQIU-OAHLLOKOSA-N	245.410	4.967	0	10	BJAE	
CCC(CC)CC[C@](O)(CC)c1cccc(C)c1	2316243881	UDYABXLQHBGZCR-QGZVFWFLSA-N	248.410	4.809	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1CC[C@H]2C[C@H]21)CCCC(C)C	2316551705	VDVUQCQJOWZPKP-HZMVEIRTSA-N	249.442	4.523	0	10	BJAE	
CN(CC1CCCCCC1)[C@H]1CCC12CCCC2	2316879777	URQSWTJYXPSGSA-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNCCCC2=CCCCC2)C1	2318528597	HOIVKBQNOLRIMS-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@@H]2C[C@@H]21)C1CCCCC1	2319254090	ZWLCEKIYIRJSMV-LTIDMASMSA-N	249.442	4.514	0	10	BJAE	
C[C@H](O)CCC[C@H](c1ccccc1)C1CCCC1	2319735571	YBAXLBKIXYYJPH-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H]1CC[C@@H]1C(C)(C)C	2320201747	PYXIRVVNRHYIFS-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1CCC(C)=C(C)C1	2320329378	TYPIGXBIWOCILO-IRXDYDNUSA-N	249.442	4.977	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC23CCCCC3)CC1	2320412383	OEHIJPDAKJWFGM-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](CC(C)C)c1cc(C)ccc1C(C)C	2327672310	CBFDSHJHLYXAHG-KRWDZBQOSA-N	247.426	4.815	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1cc(C)ccc1C(C)C	2327678795	ZGIIKBYLOLXLRL-PBHICJAKSA-N	248.410	4.834	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)CCC2(C)CC2)c1	2327699739	RZGVAHURWBBOKO-MRXNPFEDSA-N	246.394	4.732	0	10	BJAE	
C[C@H](Nc1cccc(Cl)c1F)c1ccccc1	20303396	KGFIGRKQASCDRM-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
Cc1ccc(NC2CCCCCC2)c(Cl)c1	20471338	AURAEWWWVTWCPZ-UHFFFAOYSA-N	237.774	4.783	0	10	BJAE	
CC(C)[C@H](C)N[C@H](C)c1ccc2ccccc2c1	20523223	IHFRFVBPNGCYIO-UONOGXRCSA-N	241.378	4.535	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)CCC(C)C)c(C)c1	20548042	NHKGVHKAZJQSSG-JKSUJKDBSA-N	247.426	4.779	0	10	BJAE	
CCCCc1ccc(SC(C)(C)C)cc1	37625615	HUTZFXSPXZKQMN-UHFFFAOYSA-N	222.397	4.920	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2csc(C)n2)cc1	57519792	UZUKTSOYRADKIX-SNVBAGLBSA-N	231.364	4.632	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc2[nH]ccc2c1	69371037	OFTANBMVSQMCCZ-CYBMUJFWSA-N	230.355	4.549	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Oc2ccccc2Cl)C1	85149902	AJJWWSCSGPLSMZ-VXGBXAGGSA-N	238.758	4.688	0	10	BJAE	
CCCCC[C@](C)(O)[C@@H]1CCC[C@H](CC)C1	87649187	WTJOVFBTNINUET-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCN[C@@H]1CC(C)(C)c2ccc([C@@H](C)CC)cc21	94270528	LGQNMHOYLVWXIP-BLLLJJGKSA-N	245.410	4.532	0	10	BJAE	
CCC(CC)[C@@H](N)C1CCC(C(C)(C)C)CC1	94676706	GMTKYQMVLHOCFR-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
CCCCCC(C)(C)CNCc1cccc(C)c1	94984369	ZUSXIDPGBVGGLP-UHFFFAOYSA-N	247.426	4.691	0	10	BJAE	
C/C=C\C[C@@H](CC)c1ccc(OC)cc1Cl	107667570	BMNDQGIFBBTPGE-VLWUPBBWSA-N	238.758	4.808	0	10	BJAE	
CC(C)c1ccc([C@H](O)CC2CCCCC2)cc1	109712267	GQOCCOZDFKXXCE-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CCC2CCCC2)c(C)c1	109786949	IJAZVALPIXCOCV-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1cc2ccccc2o1	128216298	DSUBDEJIOPXEJS-MRXNPFEDSA-N	245.366	4.649	0	10	BJAE	
Cc1cc(C)cc([C@@H](C)N[C@@H]2CCC(C)(C)C2)c1	131310787	LPUIBMYAWOTGAI-GDBMZVCRSA-N	245.410	4.533	0	10	BJAE	
Cc1ccc(N[C@H]2CCC(C)(C)C[C@H]2C)cc1F	155828134	GHJORRBSNWUDHP-DOMZBBRYSA-N	249.373	4.761	0	10	BJAE	
Cc1ccc(N[C@H]2CCC(C)(C)C[C@@H]2C)cc1	155832330	MQDBKEZMBCWBCD-ZFWWWQNUSA-N	231.383	4.622	0	10	BJAE	
CCC(CC)C(=O)C[C@H]1CCCc2ccccc21	164350184	SMJIGSIVUKDWJJ-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CN[C@@H](c1cc(C)ccc1C)C1(C)CCCCC1	234421917	IRLYYQDKHANXFO-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)C1CCC(C)CC1	234439376	XDAIFMSKAAIOIJ-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2cccc(C)c2C)C1	235403895	QUFPGOCRJAOCTK-LRDDRELGSA-N	243.394	4.708	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@]1(N)CCC[C@@H](CC)C1	251549033	HVGWZQRAURCQOI-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC[C@@H](C)CC(C)C)C1CC1	305917497	HAVNCYLEXDYSNF-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@@H]1CCC[C@@H](C)C1	308032811	PWDRHQWDDSCFDK-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C)C(=O)CC1CCC(C)(C)CC1	309465975	SJQYTCWPXBXZOI-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1ccc(C(C)C)cc1	309992465	HZQQYEFXKHNIEY-XJKSGUPXSA-N	234.383	4.526	0	10	BJAE	
CC[C@@H](C)[C@@H](C)n1ccc2cc(Cl)ccc21	319688335	WEAVKAHZYULPBF-GHMZBOCLSA-N	235.758	4.902	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](NC)c1c(C)cc(C)cc1C	320006148	HMGMUFBFIKKUHU-NUTKFTJISA-N	247.426	4.555	0	10	BJAE	
CCNCC1([C@H](C)C(C)C)CCCCCCC1	320075977	WXJIVZQFERUUIW-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C[C@H](C)CC(C)(C)C	320240005	WLSMQKOLIAPQGV-RWMBFGLXSA-N	226.404	4.700	0	10	BJAE	
CC(C)[C@@H](Nc1ccc2ccccc2c1)C1CC1	324477219	BHRBXPSCGIJTGM-QGZVFWFLSA-N	239.362	4.686	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@@H](C)CC(C)C)CC1	328378230	YBEYVESBTBEOGP-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@@H]1Cc2ccccc2N1	383101940	FQLVNGUDKCNDMJ-OAHLLOKOSA-N	231.383	4.630	0	10	BJAE	
CCCc1ccccc1[C@@H](NCC)[C@H](C)CCC	384703580	ZVBGWHKQSATGHF-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CC(C)CNC[C@@H]1CC[C@H]1CCC1=CCCCC1	385019603	ZNXNIWHGXHDPFV-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CC1(C[C@@H](O)c2ccccc2C(C)(C)C)CCC1	386152271	CVWUNAGGRFOWIQ-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCC2CCCC2)CC1	393960578	RDCMWWATYYNETL-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC12CCC2)c1cccs1	394754115	WSWAZQAHKXBLEV-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@H]1CC1(C)C)c1ccccc1	397631899	OMLVUIJDGRKJNP-BMFZPTHFSA-N	245.410	4.552	0	10	BJAE	
CCCCCC[C@@H](CCC1CCC1)NCCC	398943070	XDIHFQABUAUEGA-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1ccc(F)c(C)c1	401782514	BVWZAOWUFNYIRJ-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
CCc1cccc(CC)c1NC[C@H]1CC=CCC1	402380433	YCPJQGMXPOSVEG-AWEZNQCLSA-N	243.394	4.580	0	10	BJAE	
CCN[C@H](CCCC1CC1)c1ccc(C)c(C)c1	405884302	WAKXMMUFCNSLFQ-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC(C)(C)C(=O)CCCC(C)(C)c1ccccc1	686745166	GJWHFCQHTBOSMI-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CCCC1(CNc2cccc(C(F)F)c2)CC1	687549188	VRDNATIEEUPQRH-UHFFFAOYSA-N	239.309	4.616	0	10	BJAE	
CC(C)COc1ccccc1N[C@@H](C)C(C)(C)C	687791912	KXCSFLAUVKGKAT-ZDUSSCGKSA-N	249.398	4.568	0	10	BJAE	
CC1(C[C@@H](O)c2cccc(C(C)(C)C)c2)CCC1	691702741	UJDPOQQQPNEOSK-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H]1CCC12CCCCC2	695152773	LPHBDFBNMCCGGX-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@H]2CCCC3(CC3)C2)C1	695716902	NDJDIAGHWJTFKD-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC2CC3(CCC3)C2)CC1	697674501	VXTCJZWDGPCHNE-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H]1C[C@H]1C(C)(C)C	699813592	UEMZYKCNMAIARL-LSDHHAIUSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@H](CC)C[C@@](N)(CC)[C@@H]1CC1(C)C	704824794	ZESNQIRCLRICDY-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)C[C@@H](C)C1CCCCC1	704889231	KNYYSVHHGGEBDN-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H](C1CCC1)C1CC1	705286324	AQRJKMOZKFTGPD-HZPDHXFCSA-N	237.431	4.514	0	10	BJAE	
C1CCC(CCCNC[C@@H]2CCCC23CC3)CC1	706294904	NWAKQAXKVQFHHH-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@H](CC)CNCC[C@@H]1CC=CCC1	706866907	GDHVBNKJEGQLTF-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1C[C@H](N[C@@H]2CCCC23CCC3)CC(C)(C)C1	708293537	ATVAKRBMYXIVJB-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@H](N[C@H](C)CC(C)(C)C)CC(C)(C)C1	708873184	OYIZPRCEPNVTTH-MJBXVCDLSA-N	239.447	4.616	0	10	BJAE	
Cc1cscc1[C@H](O)C[C@H](C)CC(C)(C)C	709234770	KOYDPUJENZIWJD-GXFFZTMASA-N	240.412	4.552	0	10	BJAE	
C[C@H]1CC[C@@](O)(C[C@H](C)CC(C)(C)C)C[C@H]1C	709263065	VRYQZOCNAGJNOE-HLPPOEQASA-N	240.431	4.636	0	10	BJAE	
CCCCCCN[C@@H]1CCC[C@@H]2CCCC[C@H]21	714293421	XYROWYWHISUUJO-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)c2ccc(C3CC3)s2)C1	716568265	YJYCCSUHPPZZFQ-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cscc1C(F)F	717255624	AAYNEDORXZDWSG-JGVFFNPUSA-N	246.322	4.551	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)C1(C)CCC1	720707316	JJPSPVNQLSDGLK-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)C(C)(CC)CC	721675545	SGKRYVDPCBOVFR-KBPBESRZSA-N	228.420	4.780	0	10	BJAE	
C[C@@H]1CC[C@H](NC[C@@H]2CCC=CCCC2)C[C@H]1C	1179764145	NNZUHDRIGSGRJP-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC(C)N[C@H](C)c1ccc(Cl)c2ccccc12	1193693348	DOYPEKIPXWZJDN-LLVKDONJSA-N	247.769	4.552	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cccc(OC)c1C	1462425770	HZAASDDJDUWNHT-CYBMUJFWSA-N	249.398	4.774	0	10	BJAE	
CCCC(CCC)SC1CCCC1	1559364394	BNHQXKQPETYIOM-UHFFFAOYSA-N	200.391	4.631	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CC(C)(C)CC[C@H]1C	1659927725	FTAUGGQAJYPQDX-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCc1cc(C)ccc1Cl	1885363209	RAMOWRNHPYTXMJ-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CCCCC(=O)c1cc(C2CC2)ccc1Cl	1901196300	HQPJZXFFYISQLW-UHFFFAOYSA-N	236.742	4.590	0	10	BJAE	
CCCCCN(C(C)C)[C@H](C)[C@@H](C)C(C)C	1901722715	DFJAWGBKQCQCLV-LSDHHAIUSA-N	227.436	4.568	0	10	BJAE	
CC=C(CC)c1cc(Cl)c2ccccc2n1	1903139063	JROPVCUDMOBSEK-UHFFFAOYSA-N	231.726	4.702	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2c(F)ccnc2Cl)C1	1903369968	LXVBTSPSNDFSFO-VHSXEESVSA-N	241.737	4.558	0	10	BJAE	
CCC[C@H](CC)CC(=O)CCCC(F)(F)F	1905446727	AXYBGLZQFSVQOD-JTQLQIEISA-N	238.293	4.505	0	10	BJAE	
CSc1cccc(NC[C@@H]2C[C@H]2C(C)(C)C)c1	1910727148	JBQLWNUJYARSHE-SMDDNHRTSA-N	249.423	4.503	0	10	BJAE	
C=CC=CCCC(C)(C)[C@H]1CC[C@H](C)CC1=O	1911783825	HZZJXTXRFIXMAX-KBPBESRZSA-N	234.383	4.540	0	10	BJAE	
CCC=CC[C@H](C)c1ccc(OC)c(Cl)c1	1911824805	QGPNIDZZAOZSIS-NSHDSACASA-N	238.758	4.808	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@H](C)CC(C)C	1919947456	JZKDZBVTLFOBLX-SOUVJXGZSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H]2CCCC23CCC3)C1	1921492866	XKIOMMVKPYUZFH-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C1CCCCCCC1	1921540293	CWSSOUVCMKKSGV-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC[C@H]1C=CCCCC1)CC(C)C	1925892954	VCOWGFCJFIRYER-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccc(C2(C)CC2)cc1	1926393237	LZXBGZSCVXISAE-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
CC[C@H](C(=O)c1ccc(Cl)cc1C)C(C)C	1936211239	QMPBRPKRHNSEPW-LBPRGKRZSA-N	238.758	4.513	0	10	BJAE	
C[C@@H](C[C@@H](O)CC1(C)CCCCC1)C(C)(C)C	1940411813	YJIBCPWYZZFXQZ-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H]3CCC[C@H]32)cc(C)c1Cl	1940412907	JPPNKCVCQKGLHL-MRVWCRGKSA-N	249.785	4.557	0	10	BJAE	
CC[C@H]1CCC[C@](CN)(CCCC2(C)CC2)C1	1940884178	XSTWFTNXUMANDP-HOCLYGCPSA-N	237.431	4.502	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)CCC1(C)CC1	1941590470	BRNWWVIQMQSFBU-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CN[C@H]([C@@H](C)CCC(C)C)[C@@H](C)CC(C)(C)C	1942654738	CUXQXRNLEFVESZ-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)C(C)(C)C1CCCCC1	1944665603	HNZFPSSRWFOYPH-UKRRQHHQSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(O)CCCCC12CCC2	1947900677	OQRHDGKSFXGDMC-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC[C@@H]1CCC[C@H]1C)NCCC	1948424911	HQUZVVGMIYLYJH-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC[C@@H](C)CC(F)F)NCCC	1948429199	KSDNJOLFBRYEHR-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C[C@H]2C=CCCCC2)s1	1949124994	OUVVJYHXUXQCKA-KBPBESRZSA-N	249.423	4.501	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](O)C2CCCCCCC2)C1	1949450435	DUZUNONCKZBNKC-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)C(=O)C1)CC(C)(C)C	1949661705	YTHUGZATWFINQQ-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(O)C=CCCC1(C)C	1949682121	XPJSFHDAQXBWHB-XJKSGUPXSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2CC=CC2)CC1	1950914963	VKZVFTZISQRKDF-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@H]1CCC[C@H](C)CC1	1950931483	XEVDDPAIGMGKLQ-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
c1ccc(C2CC2)c(NCC2CC3(CCC3)C2)c1	1969416482	HNTPAZMQYBKYGT-UHFFFAOYSA-N	241.378	4.556	0	10	BJAE	
CCC[C@H]1CCCN([C@@H]2CCC3(CCCC3)C2)C1	1970705357	PIAYUQVLRKAJKD-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1csc(C(F)F)c1	1978583724	YOIGNAAVHKNSIF-JTQLQIEISA-N	247.354	4.512	0	10	BJAE	
CC(C)=CCCCc1cc(C)cc(C)c1C	1994009101	MMPMQUBVNBGPRI-UHFFFAOYSA-N	216.368	4.901	0	10	BJAE	
CC[C@H](C)Cc1coc2c(C)ccc(C)c12	1995464599	UKENRZFNZIGGDK-JTQLQIEISA-N	216.324	4.638	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)N[C@@H]1CCCC(C)(C)C1	1995645752	UHDOCZKYYBEZMA-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCC=C(C)C)CC1	1997114109	CZXYMKQCGQCXFP-LSDHHAIUSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@H](CC)CC1(N)[C@H]2CCC[C@H]1CC2	1997561552	WOTIUWKVAHRJOC-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H]([C@H]2CCCC(C)(C)C2)C1	2000095960	DNQPNBHLDFOYLX-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CCCC(C)(C)C	2000294221	PUAWZPDWPCUGEJ-UKRRQHHQSA-N	236.399	4.764	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CC(C)=C[C@H](C)C1	2000304094	QIVVMCADKUVVRU-IMJJTQAJSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@H](CC2(C)CCCC2)NC)CCC1	2000331991	HZELGPBLHSRZRI-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CNC(C)C)C1CCC(C)CC1	2000499536	LPLFLAVTLRGEHY-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CNCCC)CC1CC=CC1	2000517986	JNWLGEBSDVLTIY-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](O)(CC2(C)CCC2)C1	2001141364	VFYCRUUPTINABI-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(O)C2CCCCCC2)C1	2002999264	RSXAPYTVYYYMOW-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2003014018	AKRVVZSUHKAKMZ-NHIYQJMISA-N	239.447	4.602	0	10	BJAE	
CCCCCC1CCC(C(=O)[C@@H]2C[C@H]2C)CC1	2003068624	LRSBWLMQOISDIR-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCc1csc([C@@H]2CCCCC23CCC3)n1	2005563973	BPBMIQDXCVLDQA-ZDUSSCGKSA-N	249.423	4.924	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CO)CCCC1(C)C	2005576025	IJTDLVQCOBDGRG-GDBMZVCRSA-N	240.431	4.782	0	10	BJAE	
CC1=C(C)[C@@H](O)[C@H](CCCCCC(C)C)CC1	2006895797	XRIAGASNDDSPGP-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccc(CF)cc2)CC1	2007023903	FPMOWXRRVWVIDE-OCCSQVGLSA-N	235.346	4.537	0	10	BJAE	
CC1CCC(C)([C@H](N)CC2CCCCC2)CC1	2007688081	FAYMOEONOAVTEH-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C(C)(C)C)C1(C)CCC(C)(C)CC1	2007696806	NFQYCXBGIILMTP-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@H](CC(C)C)C(C)C	2007861580	WLBLAUSTMPTWKW-HZPDHXFCSA-N	239.447	4.639	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H]2CCC(C)(C)CCC2=O)C1	2009410701	LDQHITZLCYBUMN-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@]1(CNCCC)CC[C@@H](C)C1	2009618192	ZYJORSVIIGWRNV-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H]1C[C@H](CCCC(C)C)CC(C)(C)C1	2012064179	UBFCIHMZSGDGII-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1CC(=O)CC2(CCC2)C1	2012084360	NRHFLMYQCORICL-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@@H](N)CC12CCC(CC1)CC2	2012820293	QFADMPJQUDKGIU-HWOWSKLDSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)NC1CCC2(CC1)CC2	2013268224	YBXDAPKEIADHFA-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CCCCC1CC(O)(CC(C(C)C)C(C)C)C1	2015283719	HCFPKJISLPDVNP-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CC[C@](O)(CCC(C(C)C)C(C)C)C(C)(C)C	2015336952	UQDZQYVLWBWSCK-INIZCTEOSA-N	242.447	4.882	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNC1CCCCCCCC1	2016827334	RFDPPQGNJNLRAP-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC1([C@@H](O)CC2(C(C)(C)C)CCC2)CCC1	2017116923	OVTOKIQUSGRZRJ-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2(C(C)C)CCC2)C1	2017129585	QJWFFNDEFIMJNE-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](O)CC1CCC(CCC)CC1	2017650385	GIJCEDFNKQZHGH-UYSNPLJNSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(C[C@@H](N)CC(C)(C)CC)CC1	2017723283	SYHIOUFLNFNXRH-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H]2CCCCCC[C@@H]2N)CC1	2017731843	WFEFFEPCVSNUDG-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCNCCC=CCC1CCC(CC)CC1	2017732879	FSZFAZXRJDJRRV-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CC=CCC2)CC1	2017772362	PXFRPIVUEDAWRN-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CC[C@H](C)CC1)C1CCC1	2017776353	NYJPFVYRHSZBTG-JOCQHMNTSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H]1C=CCCCCC1	2019120873	BSFHSNYZBALKSD-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CCC1CCC(N(C)[C@H](C)C(C)(C)CC)CC1	2019163175	HKZADGBHTDGMBX-WLYUNCDWSA-N	239.447	4.712	0	10	BJAE	
CCCC[C@@H](CC)CN(C)C[C@H](C)C1CCC1	2019190443	XDCNKYQMUITSLN-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CC[C@](O)(C[C@H](C)C1CCC1)C1CCCCC1	2019782315	WKTAVVSUNFOVBH-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)C1CCC1)CC(C)C	2019848229	BQIBYLVKTQYYEL-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC[C@H](O)CC1CCCCC1)C1CCC1	2019852368	KSTKXQVOTJLLNP-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H]1CCC[C@H](C)C1	2023329494	AFAOLAKAYALUSL-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(F)(F)CCCCC(=O)[C@@H]1CCCC1(C)C	2023346203	PUKHKXUHJTZKCI-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC(F)(F)CCC(=O)C[C@H]1CCCC(C)(C)C1	2024092044	NMPOBQZFSUDBMG-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCNCC(C)(C)C[C@@H]1CCCC(C)(C)C1	2024094866	NERTWGZYBOVTFL-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@](C)(O)C2(C)CCC2)C1	2024126949	ZGAADSVNYNKCKH-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C)c2[nH]c([C@H]3CCC3(C)C)cc2c1	2024286669	MNGOPZZHZWCEIB-CYBMUJFWSA-N	227.351	4.688	0	10	BJAE	
CN(CCC1=CCCCC1)c1cccc(Cl)c1	2024670854	AMBPVFKOXVFUMR-UHFFFAOYSA-N	249.785	4.667	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)c1cccc(C2CC2)c1	2028548762	GPZXZCHNRMACDI-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(CC2CCC=CCC2)C1	2028871362	ZPXLUIQKOGPFJG-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CC[C@H]3C[C@H]3CC2)CCCCC1	2028964569	LKDCWNANMNTIRR-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](N)C2(C)CC(C)C2)cc1	2029106834	XCPNBBGQNAJDNK-OYUHZNFDSA-N	245.410	4.636	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@H]2C2CC2)CCCCCC1	2032698009	IBFKPCRNMAZOMA-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H](N)C23CCC(CC2)C3(C)C)CCCC1	2033434212	BBOJHPFDRYJPHS-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC1CC(C2CCCC2)C1	2033766213	DKQZQEIBXAKHPP-MFNRNEDNSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NC1CC(C2CCCC2)C1	2033766214	DKQZQEIBXAKHPP-YJNKEBTESA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H]1C[C@@H]2CCCC[C@@H]2C1	2034150267	PKZFQAUNJDXCPP-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2C[C@H]3CCCC[C@H]3C2=O)C1	2034266131	WTHKIASBAQAUOL-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
CC1(CCN[C@@H]2CC[C@@H]3CCCC[C@H]32)CCCC1	2034267391	ZNELAARNIUAUSU-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@@H]1CC12CCCC2	2036099623	ZHUXXYWKAURGGS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CC[C@]1(N)CCCCC12CCC2)C1CC1	2037160232	XBOJCJOQFPALQA-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)[C@@H]1CCC2(CCCC2)C1	2037594776	TUKCVIOWNVZRGE-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CNC1CC1)[C@H]1CCC2(CCCC2)C1	2037706473	XVJKAHRBQBGMOB-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CCC3(CC3)C2)c1	2038574681	GZYVKKASQWIEGB-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
C[C@H](CCC1(CO)CCCCC1)c1ccccc1	2038746108	IAGWFNRIGMHKFS-OAHLLOKOSA-N	246.394	4.513	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2CC23CCCCC3)C1	2039013086	UYPDSSAZZLSZOR-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)[C@@H]1CC12CCCCC2	2039081056	GOQRPBHWDGIQDE-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC12CCC(CC1)C2)C1=CCCCCCC1	2039353307	DXLFTNMMZMSGKZ-ARWYELJZSA-N	247.426	4.565	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CC1CCC(C)CC1	2039434468	JMSFORJJQLKGBD-DZLJFRASSA-N	249.442	4.523	0	10	BJAE	
C[C@H](NC1CC[C@H]2C[C@@H]2CC1)C1(C)CCCCC1	2039869376	ZDRQDJVRZFPGPJ-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@@H](C1CCCCC1)C1CC1	2040315484	FGPBHGSCVSSKSQ-GUYCJALGSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)c2ccc(C)cc2)CC1	2041383115	LLZYUVQDVOQTEQ-GJZGRUSLSA-N	244.378	4.784	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CCC=CCCC1)C1CCC1	2045315706	XBACZJZFNYDHHP-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CC[C@@H]1CC12CCCC2)CC1CCCCC1	2047011598	LFRUZPFKYSJLKF-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CNCC1(C[C@H]2CC23CCCC3)CCCCCC1	2047012804	QVUYLUGJNICVSO-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C[C@H](N)C[C@H]1CC12CCCCC2)C1CC1	2047015445	IWJWESWIEGKIAH-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2047435801	AAIZVCSRFVNIBH-BHYGNILZSA-N	249.442	4.658	0	10	BJAE	
CC1(C)C[C@@H]1CN[C@@H]1CCCCC12CCCCC2	2047586098	HDQYLVSKYOMWRN-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)CC1[C@H]2CCCCC[C@H]12)C1CCC1	2048466354	WVSPVEZVMKWMQG-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2CCC3(CC3)C2)C1	2049947712	IZTYHNAHSCOZSN-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCCC1CC1)c1ccc(C)cc1	2050428115	UOVSWCAYMGRKQE-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1ccc(C)c(C)c1	2051408567	LRZGTILXSNFLFK-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
C[C@H](NC[C@]12CCCC[C@H]1CCC2)C1(C)CCC1	2052350070	WHSZAMBJAGGNKE-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@H]1N[C@@H](CC)c1ccccc1	2053260271	AOUXRGYEZDPCMP-BHYGNILZSA-N	245.410	4.696	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCCCC12CC2)C1CCCC1	2053347016	RQWBHFGRBZVPLK-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
O=C(CCCC1CCC1)[C@@H]1CCCCC12CCC2	2053354613	FKMHGLAKRZROKM-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H]1C[C@H](C[C@@H]2C=CCCC2)C[C@@H](CC)C1	2055035863	WBFFMSOAPXNUEB-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N1CCCC2(CCCCC2)CC1	2055267601	ADKZQZHDSPAYPL-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1[C@@H](N)C1=CCCCCCC1	2056449514	PKIMMUIAHRXSIE-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
Cc1cccc(C)c1C(=O)CC1CC(C(C)C)C1	2056668695	YXLRYBVRUUCEEV-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@]1(N)C=C1CCCCC1	2056920874	UYHGMVCWDOIRBW-PVAVHDDUSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2059002808	IITBKQNWZARMRY-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CC=CCCCN1CCCC2(CCCCC2)CC1	2059204065	RKQGAVLVUXHMJS-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CCCC1CC(NC[C@H]2CCCCC23CCC3)C1	2059393422	FYDDBKSOISJTIP-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](CC)CC1)C1(C(C)C)CC1	2061145342	YDZBPFUULUBBNQ-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1NCC[C@]12CCC[C@@H]1C2	2061571503	KYHCQHQJAHICMO-PBHICJAKSA-N	243.394	4.802	0	10	BJAE	
O[C@@H](CC1CCCCCC1)CC1CC(=C2CC2)C1	2061685876	WRRNJYYRKMCHQW-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)CC12CCC(CC1)CC2	2065280211	RUZDCPABOBNQIE-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(N[C@H]2CCC3(CCC3)C2)C1	2067983046	OCYUNYVCCBZCGD-SLTAFYQDSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1(CC(=O)C2C[C@H]3CC[C@@H]3C2)CCC1	2071914347	BZGVPUBYWPLUDC-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(C=C2CCC(C)(C)C[C@@H]2CN)CCC1	2071946663	SGDFPKZMJVXARG-OAHLLOKOSA-N	249.442	4.524	0	10	BJAE	
CCCC1CCC(C=C(C)[C@@H]2CCCNC2)CC1	2072816227	SNRWATPXFDCNCG-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CCC1CCC(CC(=O)[C@]23CCCC[C@@H]2C3)CC1	2072881927	OYPXHRYGSBTWRD-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CCCCC3(CCC3)C2)C1	2074888415	KJGFMSGXXCAUGS-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)C[C@]1(C)C=CCCC1	2074905121	FWVVWGJVVFPYGG-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
C[C@H]1CCCCCCN1[C@H]1CCC12CCCCC2	2075012106	GCBHBWWKZOQEGL-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
N[C@H](CCCCCC1CC1)[C@@H]1C[C@@H]1C1CCCC1	2079436705	WSCUPIQDYWOLLK-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCCC1	2079491095	GWYNOXXPDAZLKG-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1N[C@@H]1CCC2(CCCCC2)C1	2079531190	QPOGBXWHXJRKSJ-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1C[C@H]1C[C@@H](C)c2ccccc2N1	2079659002	DIOFBSCQSNKDGF-CTASWTNQSA-N	243.394	4.657	0	10	BJAE	
Cc1ccc(F)cc1-c1cc(Cl)cs1	2080282444	MIBNCWPEFYSIQH-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)CCC[C@H]3CCCC[C@H]32)C1	2081133064	OCUVOCIMZMNHNA-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@](C)(N)CCC(C)=C(C)C	2081213900	AUMVEWMHJXUGMM-QGZVFWFLSA-N	245.410	4.559	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](CC)[C@H]1CC1(C)C	2081947954	YCQJAEIYJMCUIJ-KGLIPLIRSA-N	249.373	4.625	0	10	BJAE	
CC1(C)C[C@H](N[C@H]2CCCCC23CCC3)C1(C)C	2084369036	UMLJCTLLINOTGW-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@](C)(CC)CN[C@H](C)CC	2212583009	BGUDHTDJVIDMHU-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCc1cc(Cl)ccc1NCC[C@H](C)CC	2212642959	GCHVEPVMECAJMQ-LLVKDONJSA-N	239.790	4.751	0	10	BJAE	
CCCCN(CC)CCCCCCCC1CC1	2216866001	YLVLEBCVXDIYAG-UHFFFAOYSA-N	239.447	4.859	0	10	BJAE	
CC(C)(C)[C@H](O)CCCCCCCCC1CC1	2216877504	MXGAHNOJOUBBJB-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)[C@@H](N)CCCCCCCC1CC1	2216879009	XVJLXZMVVMGETG-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)[C@]1(CN[C@@H](C)CC)CCC[C@H]1C	2217125394	PEAZELJMBSSELE-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC1CCC1)[C@@H](C)CC(C)C	2217142627	XBKRAQLPHYQBQX-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CC[C@H]1CCCN(CCC2CCCC2)C1	2218144973	XEMVUWBVGNVFFU-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
O=C(CCC1CCCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218309021	IIXAZSCBPNJBLG-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218330520	GVBQXLRDMOKSJE-YDHLFZDLSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1C[C@@H]2CCC[C@@H]21	2218725146	LPKHRHXICOYFSS-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)CCCCC2CC2)c1	2220045047	LKNVVGDMIGMMHK-QGZVFWFLSA-N	246.394	4.616	0	10	BJAE	
Cc1ccn(C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c1	2220099592	FTVFHDPVMQLUTA-HPZPOOBXSA-N	243.394	4.502	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H]1CCCNC12CCCCC2	2220919607	PNVPBXDTAMSJDY-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)CC1(C)CC2(CCC2)C1	2221029399	ZPTMGUOBLZRYIP-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(CNC[C@@H]2CCCC[C@@H]2C)CC1	2221643162	MGRMQVJDTXYWPZ-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](NC[C@@]2(C)C=CCC2)C1	2222254397	BMQSAQXSFWIENP-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
Cc1cocc1C(=O)CCCCCCCC1CC1	2223118742	MZVDORIDCFJINU-UHFFFAOYSA-N	248.366	4.911	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1csc(C)c1C	2242612742	OVJDXUFRTITKPJ-GFCCVEGCSA-N	238.396	4.764	0	10	BJAE	
CC(C)CCC(=O)CCCCC[C@@H]1C[C@H]1C	2243902804	OGQNTJYEOQXWPQ-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@](C)(N)C2CCCC2)C1	2246681027	UFOVIWFEHSUGEF-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CCNCC[C@@H]1CCC[C@H](C)C1	2246695772	VIIUZSCXKJXYSF-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC[C@](N)(CCCC[C@H]1C[C@@H]1C)CCC(C)C	2247175170	IHGALJOGUXMJJK-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)CN(C)CCCCC[C@@H]1C[C@@H]1C	2248849209	BRFOXNHQBVNSPW-HRCADAONSA-N	239.447	4.571	0	10	BJAE	
CCCC(CCC)Nc1cc(C)c(C)c(C)c1	2249491639	UNJQOUSIMRQASA-UHFFFAOYSA-N	233.399	4.993	0	10	BJAE	
CCC[C@@H](CC)CNCCCC1CCCCC1	2250387399	OVXUJMNPRJZKDL-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)CCC(F)F	2250518453	SKQDUHOMWZRXIG-LBPRGKRZSA-N	248.357	4.843	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@]12CCC[C@H]1CC2	2251119608	UTRHPXNVAVBURO-OFQRWUPVSA-N	236.399	4.742	0	10	BJAE	
CCC[C@](O)(C[C@@]12CCC[C@H]1CC2)C(C)(C)C	2251214961	IAARZYMYJMLJJP-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(F)C[C@H]1C(=O)C(C)(C)CCC1(C)C	2251724347	NMGNIJWTLPVYCS-NSHDSACASA-N	240.362	4.671	0	10	BJAE	
CCCC1CC(C(=O)CC2CC3(CCCC3)C2)C1	2254125447	PTSDYKDXJGZLRH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(C[C@H]2CCC23CCC3)C1	2255023810	BCWAZDZQSRYGHW-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@H]1CCCC12CC2)CC1=CCCCC1	2255305917	YUIFCGXKLIPWCY-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)[C@H]2CC23CCC3)c(C)c1	2256450985	GYBDUNIJJJTTTN-LSDHHAIUSA-N	243.394	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@]23CCCC[C@@H]2CC3)C1	2260517378	AXAMQVQZEHMZNP-DLTWYDFYSA-N	248.410	4.742	0	10	BJAE	
CC1(CNC[C@@]23CCC[C@H]2CC3)CCCCCC1	2260532322	DJUWQRRWMYUUJH-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)C[C@@]23CCCC[C@@H]2CC3)CC1	2260598836	CNEFLIIRSRKGCN-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@]12CCC[C@@H]1CC2)CC1CCCC1	2260649493	XJAFPYPXEXMRBN-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CC1CC([C@H](N)C=C2CCCCC2)C1	2261188669	GHYPHOGYNRQMBU-UYSNPLJNSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CC[C@H]1CCC[C@H](C)C1	2298256266	DSRHLNPQJLPNOT-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCC1(CC)CCC(O)([C@H](C)CC2CC2)CC1	2298860275	CGKVZRSUFQNRCP-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](N)CC2CCCCCC2)C1	2301143696	WLAUKNAUGVQHCB-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC1(C(=O)CCCC2=CCCCC2)CCCC1	2302356056	JBICACYJTCVFRC-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCC[C@H](C)[C@H](CCCC1=CCCCC1)NC	2302360627	CRMLSRDBNLWPLP-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC[C@H]1CCCC[C@H]1N	2302512075	BJIVXJCCWKTULH-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
CSc1ccc(NC[C@@H]2CCC(C)(C)C2)cc1	2302677928	DKXXNXSTZYFCBR-GFCCVEGCSA-N	249.423	4.647	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN(C)CCCC(C)(C)C	2303329459	BDWJMHRAABQLJE-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)C[C@@H]1CC[C@H]1C(C)(C)C	2303508872	SSLRIJKUSQBACX-BARDWOONSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)N(C)CC[C@@H]1CCC(C)(C)C1	2304438856	FMUPONGAQSSPFX-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)CC12CCC(CC1)C2	2307816801	ITIQHPLEYIKNDY-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C[C@@H]1CCCC12CC2	2307894287	QTZFELREEOTXGT-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@@]1(C)C[C@H]1C	2307910396	NRJGKYDKKNVITR-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC1(CCCN[C@H]2C[C@@H]3CCCC[C@]3(C)C2)CC1	2308400829	PZDLWCDIPORMAG-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)[C@@H]2C[C@H]2C2CCCCCC2)C1	2311526827	SBJGFIWIOBOQNQ-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C[C@H]1CC[C@@H]2C[C@H]12	2313030842	MVNPYFDQJOZJBI-DRXUAVOGSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@@H](C)CC2CCC2)cc1	2313594938	VFBHEEVEULSLQQ-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cc(C)c(C)cc1C	2316242779	HYIRZMBFHHLSRA-KRWDZBQOSA-N	247.426	4.828	0	10	BJAE	
CC(=CC[C@H](N)c1ccc(C)o1)CCCC(C)C	2316501515	FKFLQXWPPOZBHS-HNNXBMFYSA-N	249.398	4.751	0	10	BJAE	
CC[C@H](c1nc2ccc(C3CC3)cc2[nH]1)C(C)C	2317133282	SCFICQNGLUGTKL-ZDUSSCGKSA-N	242.366	4.590	0	10	BJAE	
CCCN[C@H](CC)c1cccc(CC(C)(C)C)c1	2318574121	YKWLBAGFICSNJO-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1CC12CCCC2	2318577993	IHJCDQKWTPOFFO-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
CCc1cc(C(=O)CCC[C@@H]2C[C@@H]2C)ccc1C	2318933771	PUZARQFUEDJLOT-DZGCQCFKSA-N	244.378	4.566	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)C[C@@]12CCC[C@@H]1C2	2320227440	ZGFYOQXXSCUGGA-SMKXDYDZSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CC[C@H]2CC(C)C)CC1	2320233606	YAVJTQPIPZKSLN-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)c1cccc(C(C)C)c1	2320572090	ZJIUWBOCQJVVLO-UKRRQHHQSA-N	244.378	4.819	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)c1ccccc1C	2328283660	ZHQUITHEVXKPCU-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
Cc1ccc2cc(-c3cccs3)[nH]c2c1C	1516705	NFLJOIDEPSDMIP-UHFFFAOYSA-N	227.332	4.513	0	10	BJAE	
Clc1ccc2c([nH]c3ccccc32)c1Cl	5935082	ZGDRLAHGFSGLRI-UHFFFAOYSA-N	236.101	4.628	0	10	BJAE	
CCC(CC)Nc1ccccc1C(C)(C)C	36956595	NPSAMPGSNUYGCP-UHFFFAOYSA-N	219.372	4.585	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCC[C@@H](C)C1	36974297	DTUMXNJAZYZLOM-HIFRSBDPSA-N	231.383	4.630	0	10	BJAE	
CCCCNc1ccccc1SC1CCCC1	37123522	XKEOKNJDQXVZPR-UHFFFAOYSA-N	249.423	4.933	0	10	BJAE	
CCCN[C@@H](c1ccc(CC)cc1)[C@H](C)C(C)C	70123601	OFAYCXYIMFKADY-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
C[C@H]1CC[C@H](Nc2ccc(Cl)c(Cl)c2)C1	70748106	FYBSCMZCRZSUDL-IUCAKERBSA-N	244.165	4.594	0	10	BJAE	
Cc1ccc([C@H](C)N[C@@H]2CCCC(C)(C)C2)cc1	79977661	AEMIOKVDVDURGN-GOEBONIOSA-N	245.410	4.614	0	10	BJAE	
C=CCCCCCc1ccc(CCC)cc1	82147728	CFGNKASEMZSYQQ-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1C(=O)CC(C)(C)C	82611547	AGMLXUAJEXJHJD-UHFFFAOYSA-N	246.394	4.911	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)CC(C)(C)C	82674680	BMMJSJKNUQHJTB-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCC2=CCCCC2)CC1	86894172	CTRKEQHEPPZTMV-WBVHZDCISA-N	249.442	4.825	0	10	BJAE	
CSc1cccc(NCC2CCC(C)CC2)c1	89575445	ZDKMURSISLUUJQ-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CSc1ccccc1NC[C@@H]1CCC[C@H](C)C1	89606211	SIMARSSDFXKXGX-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCCC2(C)C)cc1C	94322265	JBEBJKFYOJSAOX-ZBFHGGJFSA-N	245.410	4.533	0	10	BJAE	
CCC1([C@H](N)c2ccc(C(C)C)cc2)CCCC1	94900742	OVEXYBOZCKCFNT-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
Cc1ccc(C=O)cc1-c1ccc2ccccc2c1	97917468	MXDWBDZCNCMKSE-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CC/C=C\[C@H](C)Cc1c(C)cc(C)cc1C	107532745	CRFFMANKUDLJBE-KRZKBDHCSA-N	216.368	4.757	0	10	BJAE	
CCCC[C@@H](CC)CNc1cc(F)ccc1C	110158827	PKOWZJGMZAKIJN-CYBMUJFWSA-N	237.362	4.762	0	10	BJAE	
CCC1CCC([C@H](O)C2(CC)CCCC2)CC1	125434240	MWZRKBAZSYHOIN-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCCCC(=O)c1cc2cccc(C)c2o1	125920261	SNINEUKLEQUGAX-UHFFFAOYSA-N	230.307	4.504	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)c2ccc(C3CCC3)cc2)C1	132996896	ZSBDRTVQFHXNMH-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNCC	156040135	XRKAMSZYXWYODN-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
O=C(CC1CCCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	165136562	IRCPLWHLUZYEDF-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)[C@H](O)c1ccc(C(C)(C)C)s1	165660878	FTENGBHFWPMGCH-GFCCVEGCSA-N	240.412	4.515	0	10	BJAE	
CC(C)CCC[C@H](N)c1ccc2ccccc2c1	165840761	XPTZLLVMXWTLNR-KRWDZBQOSA-N	241.378	4.666	0	10	BJAE	
CCCc1cccc(-c2cc(Cl)ccc2O)c1	166351691	ZHFNYAZRZZAOMX-UHFFFAOYSA-N	246.737	4.665	0	10	BJAE	
CC[C@@H](C)C[C@H](N)c1c(C)c(C)c(C)c(C)c1C	167221204	KQQFUPOQXNMVAH-HWPZZCPQSA-N	247.426	4.665	0	10	BJAE	
CCC[C@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	167280189	FBISRXNNALZSKO-LHJGCZIBSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCc1ccc(CC(C)C)cc1	197894604	JOGIYRMRCXMUKJ-UHFFFAOYSA-N	218.384	4.864	0	10	BJAE	
CC(C)CCCc1ccc2c(c1)CCCC2	201479869	SPMXQQMAOKXCCW-UHFFFAOYSA-N	216.368	4.544	0	10	BJAE	
CCCC(CCC)c1nc2c([nH]1)C[C@H](C)C[C@H]2C	212942406	KONXXXFVYRFSDA-VXGBXAGGSA-N	248.414	4.779	0	10	BJAE	
C=CCCCCCCCC[C@@H](CC=C)C(=O)O	218076862	IUWVLYZOAYYMBS-CQSZACIVSA-N	238.371	4.570	0	10	BJAE	
CC1(C)CCCC[C@H]1NCCCC1CCCC1	225042661	NTORFEDQBBVELH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1sccc1[C@H](N)C[C@H](C)CC(C)(C)C	227913979	IGKKYVZGYIVZMU-GXFFZTMASA-N	239.428	4.519	0	10	BJAE	
CCC[C@@H](O)c1cc2cc([C@H](C)CC)ccc2o1	232359374	HWHUKXJIVBWTKH-BXUZGUMPSA-N	246.350	4.780	0	10	BJAE	
CCC(C)(C)CN[C@H]1CC[C@H](C)c2ccccc21	233002958	GWAIZOVHIFKAQT-BBRMVZONSA-N	245.410	4.651	0	10	BJAE	
CCc1ccc([C@@H](CC)NCC(C)(C)CC)cc1	233898147	AUTHWLPFDYCRHN-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
C[C@@H]1CCC[C@H]1c1c[nH]c2c(Cl)cccc12	235277321	GXCSIDYDTQZNBO-NXEZZACHSA-N	233.742	4.725	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2c(C)cccc2F)C1	235392281	BFLNKKOMIHYXLI-FZMZJTMJSA-N	247.357	4.538	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccccc2Cl)C[C@H]1C	251890886	RTQURESBDDXKOK-UTUOFQBUSA-N	237.774	4.577	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CC[C@H](C)C[C@@H]1C	252187282	UMMRRBVWWLPXOM-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	252609800	UFTSOWACUHBKRT-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCNCC(CC)(CC)CCCC(C)(C)C	300779650	BATMXSSUZUNSAC-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
C[C@H](C[C@H](O)CCCC(C)(C)C)C(C)(C)C	300797870	DIOUPBMUSUYTCZ-CHWSQXEVSA-N	228.420	4.636	0	10	BJAE	
CCCNC[C@@H](C)[C@H](C)CCC1CCCCC1	302247584	JELPQANPLSLCMX-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
O[C@@H](CCC1CCCCC1)CC1=CCCCC1	305895896	HYXREVFKFDEQHR-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](CCC)CC(C)C	308044370	FJPUGJMWIJMPDB-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCCCF)C(C)(C)C(C)(C)C	310235025	HQAWOCLZQDXMOO-CYBMUJFWSA-N	245.426	4.567	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)CCC(C)(C)C)c1	310261859	DBJDBLJGIVQBDU-CQSZACIVSA-N	233.399	4.930	0	10	BJAE	
CCCNC[C@](C)(CC1(C)CCCC1)C(C)C	310267731	MQFDKFLMTCICCE-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)Oc1ccc(NC(C(C)C)C(C)C)cc1	310624393	JCJCMODCLNXCDD-UHFFFAOYSA-N	249.398	4.566	0	10	BJAE	
CC(C)(C)CCN[C@@H]1CCCC12CCCCC2	313030383	IPFNQCDTXAVZMC-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@](C)(CC)[C@@H]1CCCC[C@@H]1CC	317498265	FZSCMDQPBODWSI-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)c2cccc(C)c2C)CC1	328447195	JEKHNIWLKWKTBZ-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1	381321089	XYDVIOZCAXADKY-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H]1CCCCC1(F)F	382080089	HXZMHDZPEVAOSY-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC(C)CCCCCC(=O)c1ccsc1	383395185	QANHFHIUDYFODK-UHFFFAOYSA-N	224.369	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@](C)(O)CCC(C)(C)C)C1	383569301	JTCWASPMTSSKKD-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CCCc1ccccc1N[C@@H]1C=CCCCCC1	385048509	MUKURZZTQINXEV-MRXNPFEDSA-N	243.394	4.940	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1C=CCCCCC1	386106933	JMGVVYGDWYJZQA-CABCVRRESA-N	237.431	4.680	0	10	BJAE	
C[C@H](CC[C@H](O)c1ccccc1)C1CCCCC1	386447240	DDZJWMIZWPIDOK-PBHICJAKSA-N	246.394	4.717	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC2CCCCCC2)C1	394553018	GREZMOIWECAEKN-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(CC)[C@H](N)c1ccc2ccccc2c1C	394984774	AEKMKBDRNCRJSD-KRWDZBQOSA-N	241.378	4.584	0	10	BJAE	
CC1(CNCCCC2CCCCC2)CCCC1	395266689	NACBPTQFEMUVJM-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC1(C)CC(Nc2cccc(Cl)c2Cl)C1	395298408	OTCVAZRLSZKUTR-UHFFFAOYSA-N	244.165	4.594	0	10	BJAE	
CC[C@](O)(c1cccc(C2CCC2)c1)C(C)(C)C	395461505	JGXRQAGAARDWHY-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CSc1cc(F)c(C(F)F)c2sccc12	396238191	JNKONTVWLPYALK-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1ccc2scc(C(F)(F)F)c2c1F	396295113	IGYQLJQWSKLYQN-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
C[C@H]([C@@H](N)c1cccc(C2CCC2)c1)C(C)(C)C	399051393	IEJBMGVDPKYNRC-MLGOLLRUSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC1(CC)CCCC1	401789507	FPTQOORIFWMVFJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2CC=CCC2)CC1	402152400	MTFDTSJZIDRGOS-SLTAFYQDSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](O)c1ccc(-c2ccc3ccccc3c2)cc1	404773904	KLBHOBCRSSOTTQ-CYBMUJFWSA-N	248.325	4.560	0	10	BJAE	
CCCN[C@@H](c1cccc(C(C)C)c1)C(C)(C)C	688951316	WZIKCIOOPXCZLW-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CC1(C)CCCC1	691185884	LYDFVQCPVUYAKU-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1C[C@H](NC2CCC3(CC2)CC3)CC(C)(C)C1	695687190	AQUNLWVJDPPSOO-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)c1ccc(C)c(C)c1	696595730	XGXFUJLVVLBECI-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCC[C@@](O)(CCC(C)(C)CC)C1CCCC1	696708633	CEOAYOMTSPTSIV-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC(C)(C)CC	697257757	GCTPDEDKAFVWRJ-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C1(C(C)C)CC1	697559274	QLMGDYJTIDYXPT-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@H]1CCCC12CC2	707152134	XGEHGXXLWFKKMG-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](NC)[C@H](C)CC(C)(C)C	708271323	QSDDOPFNQQGSHK-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CC1=C[C@H](O)CC(C)(C)C1)CC(C)(C)C	709096489	IZNQLMORIFOXRA-JSGCOSHPSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@](N)(C[C@@H](C)CC(C)(C)C)C1CCC1	709243775	NMULCYSUIBFSOO-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C[C@](C)(N)CCC(C)(C)C)C(C)(C)C	710810395	AHXQHVUBHPLGHR-SWLSCSKDSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H](CNCC(C)C)C[C@H](C)C(C)(C)C	711172426	JZIDXFWLZCAPAE-GJZGRUSLSA-N	241.463	4.721	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)C(C)(C)CC	711180473	CEGWLNLHOUSNMM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C[C@@H](CCC1CCC1)NC)C(C)(C)C	711187182	AKGMFXNNGLIZAQ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@@H]3CCCC[C@@H]32)c1Cl	712390897	QFPIZTCJBZTERO-SGMGOOAPSA-N	249.785	4.639	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CC(C)(C)CC[C@@H]2C)c1	713063326	FBPWKPXJVITUSD-SWLSCSKDSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCCCC2CC2)CC1	716358450	NELBBXUYIMUBLE-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)C(F)(F)CC	718560799	TUCLKXSRJXMATL-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1CC[C@H](C)CC1	719266185	JYNZRFIPMGYGEA-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](C[C@@H](O)CC1CC(C)(C)C1)CC(C)(C)C	723590596	WKELELVXEMKPNJ-GXTWGEPZSA-N	240.431	4.636	0	10	BJAE	
C1=C(CCNCCC2CCCCC2)CCCCC1	1308667118	DLRWESPMERYBRU-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
C/C(=C/Cl)CSCc1cc(C)sc1C	1656488852	GOZWNMIMMAZFGC-YVMONPNESA-N	246.828	4.741	0	10	BJAE	
CCC(C)=CCc1cc(Cl)ccc1C	1887877229	GAOAEVYCLVNMCZ-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CC(C)CCC[C@](C)(N)CCCC1(C)CC1	1900587579	QTJMVNOUXVDIAY-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCc1cscc1N[C@H]1CC[C@H]1CC(C)C	1902381391	MXGIYCUAWWGINM-STQMWFEESA-N	237.412	4.547	0	10	BJAE	
CCC[C@H](CC)CC[C@H](N)C1CCCCC1	1905359951	FJDOHXQEZVEKGX-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H]1C[C@H]1C1CCCC1	1910696295	MVFOLMIUDOWLMA-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](NCC=CC2CC2)CC1	1911809702	UOLYVJNSZIKYMM-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC=C[C@@H](C)Cc1ccc(SCCC)cc1	1911918153	CJOWKMRZWCKHNU-CYBMUJFWSA-N	234.408	4.943	0	10	BJAE	
CC(C)=C(C)CC=C1CCC[C@H]1[C@H]1CCCCN1	1911935177	YOUQOEFFEVLRKX-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
CCC(F)(F)C[C@H]1CCCCCCCC[C@@H]1O	1913383411	ASWUWTHWEDTJCK-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
CCCC=CCNc1cc(CC)ccc1CC	1914675107	DOHYKSJYBBFPDI-UHFFFAOYSA-N	231.383	4.580	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC2(CCCC2)C1	1916443587	YXXILEOMKZGCLF-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@@](C)(O)c1sccc1Cl	1919964981	UBGCDHUPQADTID-GFCCVEGCSA-N	246.803	4.579	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@@H](C)c1ccccc1	1920206140	YPNPTQYDBAYZLB-UXLLHSPISA-N	247.426	4.724	0	10	BJAE	
CC(C)c1cccc(C(=O)C2CC(C(C)C)C2)c1	1921279433	OHTLMSUBZPATIH-UHFFFAOYSA-N	244.378	4.675	0	10	BJAE	
CCNC[C@@](C)(CC(C)(C)CC)C1CCCC1	1924082490	AUJFSRPFBRGTCZ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@H](C)C1CCCCC1	1924135261	JHURZNDTQQZHKZ-CJNGLKHVSA-N	249.398	4.537	0	10	BJAE	
CCC1CCC(CN)(C[C@H]2C=CCCCC2)CC1	1925919542	FKGUTYXLKSIROV-CGZBRXJRSA-N	249.442	4.668	0	10	BJAE	
CCC(CC)(CC)CNC[C@@H]1C=CCCCC1	1925936605	YRVNRWAQVLDMLG-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@](C)(N)CCCC(C)(C)C	1933730896	NUMPPGOTWCGLNF-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
CCCCC1(NCCCCCC(C)C)CC1	1936928421	FBJHQBVHMSKXFR-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)C(C)(C)C(C)(C)C	1940866027	XLIHDFVSILIYMP-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)C1=CCCCCCC1	1941250701	HTHRMXOZYIQTTA-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(C2CC2)cc1	1941567015	NFMNPRRASXGIIV-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
N[C@@H](CCC1CCCC1)c1sccc1C1CC1	1942505757	LURXISJPYVGIBT-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CCCN[C@@H](C(C)C)C(C)(C)C1CCCCC1	1944630301	CHBQGOQDEKUWON-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)c1csc2ccccc12	1944661272	QUBSXLIAHCPHBA-CQSZACIVSA-N	247.407	4.583	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1cccc(F)c1C	1947460771	LDLMGNVWUXVRSP-IUODEOHRSA-N	235.346	4.515	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@H]1C=CCCC1)C(C)C	1947558436	JOJZXNQLJYXAMS-GJZGRUSLSA-N	236.399	4.620	0	10	BJAE	
C[C@](N)(CCC1=CCCCC1)CC1CCCC1	1949041966	WCIOGESUTPGUID-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
Cc1cc(N[C@H]2CCC23CCC3)c(C)cc1Cl	1949318658	KAEAGLAPHRESJL-AWEZNQCLSA-N	249.785	4.701	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNC)CCCC(C)(C)CC1	1950913286	GCIATIJVWWBHMD-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@](CN)(CC2CCCCC2)CC1	1950930159	MYPOJYLGBSOTKI-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CCCCCC[C@H](O)C1CC2(C1)CC(C)(C)C2	1950950573	GNDNANBHXNMSNM-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC(C)(C)NC[C@@H]1CCCC(C)(C)C1	1962900406	IVBPMEZEDRWVOI-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CC[C@H]3CC[C@H]2C3)CC1	1967766713	OUHBHCKSMRNOCA-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(COc2ccccc2C)CC1	1968271877	YMHLLAYGJAXNFK-UHFFFAOYSA-N	232.367	4.590	0	10	BJAE	
Cc1cc(C)cc(NCC[C@@H]2CCC[C@H](C)C2)c1	1968307376	JCOMCSFXFRSSIR-BBRMVZONSA-N	245.410	4.932	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H](C)C1CC2(CCC2)C1	1968312348	JNSPHNOXXCWZFX-LBPRGKRZSA-N	247.357	4.515	0	10	BJAE	
CCCCC1CC(Nc2ccc(C)c(F)c2)C1	1968321015	VACZDFPKTBRECY-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCCCC12CCC2	1968361152	FXQOQHLHXFKDAY-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
C[C@@H](CN[C@@H]1CCCCC12CC2)C1CCCCC1	1972744677	OCJBAGSHOGGPNM-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)C1(C)CCCCCC1	1978449640	BIHLCEURJDJAHB-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCCCCCC[C@H]1N	1980351372	NODMUVNOXMNWIP-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCCCSC	1981568365	MZDHFGGNMOEPHE-ZDUSSCGKSA-N	244.444	4.695	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC(=O)C[C@@H](C)C1	1982566513	OKLOEOAHDFYFRW-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C)c1ccsc1	1986948603	PSTMNHUFCJECND-TZMCWYRMSA-N	239.428	4.614	0	10	BJAE	
CCCC1(C[C@@H](O)CC(C)(C)CC)CCC1	1988466769	MZHLXDHVADOMSC-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)Oc1cc(C)c(Cl)cc1C	1989927256	YIBBJFQPPVPLED-CABZTGNLSA-N	240.774	4.770	0	10	BJAE	
CCCCCC[C@@H](O)CC[C@H](C)CCCC	1995254048	NHXUYEXAQMYZOP-HUUCEWRRSA-N	228.420	4.924	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)C2CCC(C)(C)CC2)C1	1996231784	MILOATGCZUFCKU-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C1(N)CCC2(CCCCC2)CC1	2000284096	XCBGQCYJEDGRQC-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@](C)(CNC)[C@@H]1CCCC[C@H]1CC	2000507402	FZZFEBNDGZKWGY-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@@H]1CCCC(C)(C)C1	2002981238	HATJTSFLWLNQMQ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1(CC(=O)[C@H]2CC[C@H](C)CC2)CCCCC1	2003067022	LVTRPNGBISIYJO-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)[C@H]2CC[C@H](C)CC2)C1	2003067435	SNFNCXMJIRRIGT-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@]2(C)C=CCC2)CC1	2003325775	LBLDQVLCNJQBFJ-MRXNPFEDSA-N	234.383	4.518	0	10	BJAE	
CCCC(CCC)CNCCC1CC(C)(C)C1	2004716526	HLPDDKOBVDYFPG-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC(C=C(CNC(C)C)C(C)C)CCC	2004724892	GYXLVKKYTUZSAP-UHFFFAOYSA-N	239.447	4.783	0	10	BJAE	
CC(C)CCN(CCC(C)C)[C@H]1CCC[C@H]1C	2006741636	HLRAKZQGRAUNQS-CVEARBPZSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)CC[C@H]1CCC(C)C	2009408323	SPPGASBFVYBAAF-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC=C([C@@](C)(O)CCC(C)(C)C)CC1	2010727202	VLGBEVZNHADDQT-BBRMVZONSA-N	238.415	4.700	0	10	BJAE	
CC1(C)C[C@@H](CC2(C)CCCCC2)C[C@@H](N)C1	2012053262	BYNBTTODWPNWEX-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](N)(CC)CCC(C)C)C1	2013274154	MTMYIKOZWWPXGK-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CC(C)(C)C(C)C	2013307888	AGVVYVGHXRDMND-OAHLLOKOSA-N	241.463	4.815	0	10	BJAE	
CCCCC(C)(C)NC[C@@H]1CCC[C@H](CC)C1	2013532572	HCYMINJWSGMCEA-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C[C@H](O)C[C@H](C)C(C)(C)C)C(C)C	2015271467	ACMHIGRTACKKCX-UONOGXRCSA-N	242.447	4.738	0	10	BJAE	
CCCN[C@@H](CC(C(C)C)C(C)C)C(C)(C)C	2015289786	DUAIAJAWDZRMJE-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@H](CC)C(C)C)CCC1	2015641274	BXSBOIHSHBVDPP-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CCC2(CO)CCCC2)CC1	2017723947	DOGVFRASTBQTDQ-SHTZXODSSA-N	238.415	4.536	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1CCC[C@H](C)C1	2018130567	JVTLHMDXFVQLQU-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@H](C[C@@]12CCCC[C@H]1C2)NC	2018576541	BCRKWGUGSSLSSJ-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](N)(C[C@H]1C=CCCCC1)C(C)(C)C	2019850124	QNKOGDXIAWRFHM-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC=C(CC)[C@@H](NCC)C1CCCCCCC1	2020966493	OKYYICKXVCVAQH-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@@H](C)NCCC1CC(CC)C1	2025375334	VGHZMUJSJOUFQS-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@H](O)CCCC1CCC1)c1ccccc1	2028494635	BHYLWXIOQSDUIK-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1C[C@@H]2CCCC[C@H]21	2028761411	FCJNSPNZJBHXAI-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCC=CCC1)C(=O)c1ccccc1	2028872474	GKTUEJQCTCSPCX-CQSZACIVSA-N	242.362	4.642	0	10	BJAE	
C[C@H]1CCC[C@H]1COc1ccc(C(C)(C)C)cc1	2032477415	BORLFYXJFOUFBC-KBPBESRZSA-N	246.394	4.799	0	10	BJAE	
CC(C)(CNC1CCC=CCC1)C1CCCCC1	2034018907	PBNFEMRZVOURLE-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
Fc1ccc(C[C@@H]2C=CCCC2)c2ccccc12	2035564165	PHKMDPPTNCNUOC-CYBMUJFWSA-N	240.321	4.878	0	10	BJAE	
CCCNC[C@]1(C2CC(C)C2)CCC=CCCC1	2036174697	BMHVIFLMTBWGJT-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1)C1CCCC1	2036664306	JOBXYLIUTDTUKW-DZUCGIPZSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@H]1CC=CCC1	2037161493	DMRFETDTZXISJJ-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@H]1CCC[C@](N)(CC2CCC=CCC2)C1	2037208366	WIFXCHYIHIXGDG-IRXDYDNUSA-N	249.442	4.667	0	10	BJAE	
CC1CCC([C@@H]2c3ccccc3NC[C@H]2C)CC1	2037223137	HPCJJPKJVBNXEF-NHMAURGWSA-N	243.394	4.658	0	10	BJAE	
CCCC[C@@H](C=C1CCCC[C@@]12CCNC2)CC	2038646186	SBIWANHFNXTWQN-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CC(C)(CN[C@@H]1C=CCCCC1)C1CCCCC1	2039042983	ZKVFWKRDOYNWCP-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](NCC(C)(C)C1=CCCC1)C1CC(C)(C)C1	2043551694	YOOIDLFVBUOMOR-CYBMUJFWSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@@H]1CCC=CCCC1	2045308825	XBPWBNYLZOQNTG-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](NC)c1cc(C)c(C)cc1C	2045741143	OHKRFRHFZDQWCX-KCTSRDHCSA-N	247.426	4.555	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C[C@H]2CC23CCCC3)CC1	2047011551	XXVPPYPBAKVUMZ-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(NCC2(F)CCCCC2)cc1C	2047244398	KVUAIILBJGRDIX-UHFFFAOYSA-N	249.373	4.642	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CCC1	2047412077	IYZLPGUITWXWTI-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
c1ccc(N[C@@H]2CCCCC23CCCCC3)cc1	2047587750	USMVINCAAGMAFR-MRXNPFEDSA-N	243.394	4.992	0	10	BJAE	
Cc1cc(C)cc(NC[C@H]2[C@H]3CCCCC[C@H]32)c1	2048448595	PSMTVJLXVIIXHL-BJWYYQGGSA-N	243.394	4.542	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)[C@H]1CC[C@H](C)CC1	2049681039	KAHHAKRRQTVKEB-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
N[C@H](C[C@H]1CCCC2(CC2)C1)C1CCCCCC1	2049855221	IYWHWYJYDVTEQF-GDBMZVCRSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(NC[C@H]2CCCC3(CC3)C2)c1	2049859979	XZHVGOHSAQGFSC-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C[C@@H]2CCC3(CC3)C2)C1	2049936127	PXLNYOJMOZIJKA-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](N)c1ccccc1C	2050459824	AVOYMBLCMQOQPZ-NVXWUHKLSA-N	247.426	4.991	0	10	BJAE	
C1CCC([C@@H]2CCCCN2CCCC2CC2)CC1	2051674628	LMJAWQUJFFPRJT-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CNC[C@@]1(CCC2CCCCC2)CCCC12CC2	2053355505	JDIAAYKNITVDKG-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H]2C=CCC[C@H]2C)CC1	2055576989	CELCAYAEUHAGAW-CWHQUEMWSA-N	249.442	4.536	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCC[C@H]2C(C)C)c(C)c1	2056447612	COUOWCNUPYKYCD-HOCLYGCPSA-N	244.378	4.558	0	10	BJAE	
Cc1ccc([C@H](O)C2(C)CCC(C)(C)CC2)cc1	2056559439	SSADLDQKMBTNNY-HNNXBMFYSA-N	246.394	4.635	0	10	BJAE	
O=C(CCCCCC1CC1)C1CC(C2CCC2)C1	2056678596	AVYSWRHPJQXJJX-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@H](N)c1ccc(CC(C)C)cc1	2059199280	XJCVKGCZPVJQNL-BDUNBXCCSA-N	245.410	4.631	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CC(C)=C[C@H](C)C1	2059250676	SHZUMZDYCMOHQQ-ZYJJBJMOSA-N	249.442	4.703	0	10	BJAE	
CC1CC(C)([C@H](N)C2=CC[C@@H](C(C)(C)C)CC2)C1	2061088499	NHJSIJBHLYKWLF-QJKCGZJTSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C1=CC[C@H](CC)CC1	2061148991	ZELQTOFMXMYNIW-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)CC1CC(=C2CCC2)C1	2061680495	XOJJOBOOFHYVKV-ZDUSSCGKSA-N	249.442	4.633	0	10	BJAE	
C[C@@H](C[C@H](N)CC1CC(=C2CC2)C1)CC(C)(C)C	2061729924	BWLJZGKQTKYYAJ-LRDDRELGSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C1CC(=C2CCC2)C1)C(C)(CC)CC	2061731092	PSEJJTTZOFNPED-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2CC(=C3CCC3)C2)CC1	2061737307	PXOZMUQKVDGLOJ-CXAGYDPISA-N	247.426	4.565	0	10	BJAE	
CN[C@@H]1C[C@@H](CCC(C)=C(C)C)CC2(CCC2)C1	2063627017	DJMASNXNTKMKIH-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@]2(N)C=CCC3(CCC3)C2)CCCCC1	2063650897	WZBABMKTFYQJKP-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)C12CCCC1CCC2	2063822816	WTKGWMNKPRBIAS-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
C[C@@]1(C(=O)CC23CCC(CC2)CC3)C=CCCC1	2065279414	JPLAOZHFEZCLSD-ARWYELJZSA-N	246.394	4.662	0	10	BJAE	
C[C@@H](N[C@@H]1CCC12CCCCC2)C1(C)CCCC1	2067516951	KCNQILKMOICOGZ-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CC(C)Cc1ccc([C@H](O)C[C@H](C)C(C)C)cc1	2068843603	MLCJFMAXWBBEJJ-WMLDXEAASA-N	248.410	4.601	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@@H](C)c1ccccc1	2070395820	TUQOBIKWUZLCFH-WBVHZDCISA-N	246.394	4.678	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@H]2C2CC2)cc1	2071797864	JNNMXVNDBRWKSY-DLBZAZTESA-N	243.394	4.630	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)c1ccc(F)c(C)c1	2072419003	WJARMDHUMSJUSY-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@H]2CCC23CCC3)CC1	2072792548	BDHBRYGKUJZQNA-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@]2(N)C[C@H]3CC[C@H](C3)C2)CC1	2072805889	GTRALPPBPRELQD-NDQLQDMOSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](Cn2ccc3c(F)cccc32)CC1	2072875538	PFIYYFJXBDVMFQ-JOCQHMNTSA-N	245.341	4.607	0	10	BJAE	
CC(C)CCCCC=C1CCNC2(CCCC2)C1	2074139671	ULUHKDYIHBTPMH-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCCC1(CN2CC[C@@]23CCCC(C)(C)C3)CC1	2074593551	LKDPAINWVLSNSD-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@@H](CC)N(C)Cc1c(C)cccc1C	2074923445	TXTUAQYLYQYNNL-MRXNPFEDSA-N	247.426	4.704	0	10	BJAE	
CN([C@H]1CCC12CCCCC2)C1(C)CCCCC1	2075009274	UYEYGLHYNICCOV-HNNXBMFYSA-N	249.442	4.754	0	10	BJAE	
CCC[C@@H](C)CN1CCCC[C@H]1c1ccc(C)o1	2075086293	KUAZFIISULQIKV-HIFRSBDPSA-N	249.398	4.551	0	10	BJAE	
CN(C[C@@H]1CCCC(C)(C)C1)[C@H]1C=CCCCC1	2075406245	YKQXUUIMTFWIFG-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CCN[C@H]1[C@@H](C2=CCCCCC2)CCCC1(C)C	2076395864	OEFNNCIOZWNOIU-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1[C@@H](C[C@H]2CC=CCC2)CCCC1(C)C	2076401186	JVXUIZGTBYCXSP-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](NCC)C1=CCCCCCC1	2079442245	ZAUQBCFVNKCGPD-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
O=C(CC1CC=CC1)[C@@H]1C[C@H]1C1CCCCCC1	2079482566	DQMXDCXUPWYOGT-JKSUJKDBSA-N	246.394	4.518	0	10	BJAE	
CCCc1ccc(NC[C@H]2C[C@H]2C(C)(C)C)cc1	2079618647	GVXGUCSFBDBJSK-GDBMZVCRSA-N	245.410	4.733	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)C1CC(=C2CCC2)C1	2079855682	ZMFPXZSVOQDWGK-HIFRSBDPSA-N	246.394	4.518	0	10	BJAE	
CC(C)(CCF)C(=O)CCCCCCC1CC1	2213577740	FMFAJUJZOZILAF-UHFFFAOYSA-N	242.378	4.692	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)c2scc(C)c2C)C1	2213677802	PVYTZPKRRRLATQ-ZANVPECISA-N	248.391	4.540	0	10	BJAE	
CCCNCC(CC)(CC)CC[C@H]1C[C@@H]1CC	2215267807	ZNQDDGIZOVDSNB-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(C(=O)CC[C@@H]2C[C@@H]2CC)CC1	2215331532	LACFYKZOODZOAH-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)c2cc(C)sc2C)CC1	2215819493	WEAXFRPZOBGPPY-GJZGRUSLSA-N	249.423	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@H](N)CCCCCCCC1CC1	2216876515	DHHKLTDCGOSPPM-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C1(CN[C@H](C)CC)CC(CC)C1	2217154757	WURRUCYEINNZHN-QRNKSROTSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218333646	RQCAEPZVPPNQAE-JKJDWNRSSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218336115	RQCAEPZVPPNQAE-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CC2C[C@H]3CCC[C@H](C2)C3)C1	2218336603	XCRZNCBIAXSUPY-ORIJERBGSA-N	248.410	4.598	0	10	BJAE	
CCC[C@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCN1	2218355963	IDAWTLLEGYXBNV-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@H]1C[C@@H]2CC[C@@H]2C1	2218722447	AVUUMIGTDPMFAB-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@H](NC2CCC(C3CC3)CC2)C1	2218896252	FXMBZWOFRPYMNS-YJNKEBTESA-N	249.442	4.514	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)C2=CCC(C)(C)CC2)CC1	2221613265	PRZWIHLRHXDDHR-WBVHZDCISA-N	248.410	4.620	0	10	BJAE	
CCN[C@H](C[C@H]1CC1(C)C)[C@]1(C)CC=C(C)CC1	2221632692	RFRDUZWPGWOASB-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@H](C(C)(C)C)C1)c1ccco1	2222254938	DLPHPRXXZJQVLR-MELADBBJSA-N	249.398	4.535	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NCC2=CCCCC2)C1	2222257933	LNXZIOKUXMUUOA-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@]1(N)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222979152	DQRWWLRXQNDFAT-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@H](N)CCCCCCCC2CC2)CC=CC1	2223132605	LWDYTIUYDCWRLO-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
C(CCCN[C@@H]1CCC12CCC2)CCCC1CC1	2223156406	ACJKMHFYPAQEHQ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
C(CCCN[C@@H]1CC[C@H]2C[C@H]2C1)CCCC1CC1	2223167536	NGEHAGNNPOLWDA-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@H]1CCC(C)(C)C1)N2	2224118609	ADYPQPUNYYWEGO-GOEBONIOSA-N	243.394	4.548	0	10	BJAE	
CCCC(CCC)C(=O)c1csc(C)c1C	2242613208	VVHXISJVBGFKPH-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
FC(F)(F)c1sccc1CC1=CCCCC1	2243238147	PPCCLYAZUDRVDV-UHFFFAOYSA-N	246.297	4.810	0	10	BJAE	
N[C@@H]1CCCCCCC[C@@H]1CC1=CCCCC1	2247491093	VWHMPHFICSXUIP-HZPDHXFCSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CC1=CCCCC1	2247511258	MJXQJSRBXISEMJ-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1NCC[C@@H]1CC[C@H](C)CCCC(C)C	2250468893	IWRZHCCSTVOUBB-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)[C@H]1CCCC2(CC2)C1	2254569865	SZCYYRTXOJAUME-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@H]1CCC12CCC2	2255011938	XTDCYSRLFXQYOO-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1(C(=O)C[C@@H]2CCC23CCC3)CCCCCC1	2255023172	HYYIYRPOSDVQFP-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)CC[C@H]1CCCC12CC2	2255325457	AHBAIFHJUQUGTR-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@H](N)[C@@H](C)CCC(C)C)cc1	2256294886	WVEUNTPGTZDAMC-WMLDXEAASA-N	247.426	4.711	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](C)(N)[C@H]2CC23CCC3)C1	2256489721	PVAXLIPFEZDQPT-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCc1occc1C(=O)CCCCC[C@@H]1C[C@H]1C	2257283991	PQTLONQLFLWTBY-CHWSQXEVSA-N	248.366	4.631	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@]12CCCC[C@@H]1C2	2257285947	ZOXURNBAEQUVNR-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
C[C@H](Nc1cccc(C(C)(C)C)c1)c1ccoc1	2257966865	GWHJFBSUSSVOOB-LBPRGKRZSA-N	243.350	4.750	0	10	BJAE	
CC(C)C[C@H](C)CNc1cc(C2CC2)ccc1F	2259126302	MMRUNKOMXWOXHN-LBPRGKRZSA-N	249.373	4.797	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@@H]1CCCC1(C)C)C2	2259571551	HZNSTXUDVSMRFI-XJIRZWNVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)[C@@]12CCCC[C@@H]1CC2	2260498931	BMMCYNOFILZSRY-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)C[C@]23CCCC[C@H]2CC3)cc1	2260567756	RAEAFUHOSCGTFS-DOTOQJQBSA-N	242.362	4.538	0	10	BJAE	
Cc1cc(F)cc(NC[C@]23CCCC[C@H]2CC3)c1	2260628522	SWFNMZBGUBZAQY-XJKSGUPXSA-N	247.357	4.516	0	10	BJAE	
Cc1ccc(NC[C@@]23CCCC[C@H]2CC3)c(F)c1	2260628569	SYUPAJLVNNVENA-BBRMVZONSA-N	247.357	4.516	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C(=O)c1cccc(C2CCCC2)c1	2260726811	HCJBWIPIBKQNMC-SJKOYZFVSA-N	242.362	4.573	0	10	BJAE	
C[C@H](CNc1cccc(C2CCCC2)c1)C1CC1	2260727963	WNCMEAHWZQKPCC-CYBMUJFWSA-N	243.394	4.802	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)CC2=CCCCC2)C1	2261198693	FTNOSFXUMYNGFI-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CCC(CC)CCC(=O)C1C[C@H]2CCC[C@@H]2C1	2300687559	DFKYYQUSHZCFHG-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC(C)=CCN[C@@H]1CCC[C@@H](C(C)C)CC1	2300867311	KGJUUKBMPRYETM-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(=CCC(=O)C[C@@H]1C[C@@H]1C)CCCC(C)C	2300927500	VYYGANPRBDJZDA-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H]([C@H](C)[C@H](C)C(C)C)C1	2301834819	BBKOGKIAFPQIJL-TUVASFSCSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CCCCC1CC1	2302581114	YGSHQNSSCFZFAW-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CCC(C)(C)C2)C(=O)C1	2302762526	CYEKLVBZIPEOAF-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](O)CC2(C)CCCC2)C1	2302897890	BKCFLDRKPMGFIV-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@H]1CCC(C)=C(C)C1	2303469095	DVGUKMNITOXLSV-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@@H](CN)CCC[C@H]1CCC(C)(C)C1	2304410997	JQEIIKAXYOBEPN-GJZGRUSLSA-N	239.447	4.604	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2310890084	YCDRMZRILLJWSD-MDLJMBGESA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@]12CCCC[C@@H]1CC2	2316543002	VRQOTAZDFACBBU-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)CC1CCCCCC1	2316874686	SGXHFSMGVRIXDV-HNNXBMFYSA-N	245.410	4.650	0	10	BJAE	
CC(C)(C)C1CCC(=C[C@]2(C)CCCCN2)CC1	2318808932	BYDZDGKCFLLCBZ-LWKPJOBUSA-N	249.442	4.681	0	10	BJAE	
C=CC=CCC[C@H](CCC[C@H]1C[C@H]1C)NCCC	2318943094	CTIGSUHTVYCWRG-IXDOHACOSA-N	249.442	4.703	0	10	BJAE	
CCc1cc(N[C@@H]2CCCC[C@H]3C[C@H]32)ccc1C	2319251603	FXSAWBSUDIKDAM-USXIJHARSA-N	243.394	4.548	0	10	BJAE	
Cc1cc(F)ccc1NC[C@@H]1CC[C@@H]1C(C)(C)C	2320239275	CICHLPQUIAUMLW-JSGCOSHPSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@@H](NC2CC3(CCCCC3)C2)CC1	2320239967	IVHSCNIPINMJGM-HNNXBMFYSA-N	247.426	4.578	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)[C@]12CCC[C@@H]1CC2	2320317528	KBYQPPHSNBVEJY-CFAJVAMVSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCC(C)(C)[C@H](N)C2)CC1	2320336495	ZTTVDQJTGUBEGR-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@](C)(N)C2CCCCC2)CC1	2320337011	JRWKZNAXHYUDGS-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](CC[C@@H](O)c2ccccc2)CC1	2320400974	DRTIEFSISNDGKY-DOTOQJQBSA-N	244.378	4.637	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)c1cccc(C(C)C)c1	2320524804	DRXSFHZWGCZFDA-UNEWFSDZSA-N	245.410	4.636	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@]23CCC[C@@H]2CC3)C1	2321623161	VTVVEAREZWUEBL-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
C1CCC([C@H]2CCCC[C@H]2NC2CCCC2)CC1	34994954	QLTAZAPUVKVHTH-IAGOWNOFSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](C)Nc1ccc(SC(F)F)cc1	36919522	HVGGXRMMLSNXQA-SECBINFHSA-N	245.338	4.602	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@H]1CC=CCC1	36956425	HTBXULHRXYRHTH-AWEZNQCLSA-N	243.394	4.752	0	10	BJAE	
C[C@H](Nc1ccccc1C(C)(C)C)c1ccco1	36956600	ZMWGCYRKAFWDJY-LBPRGKRZSA-N	243.350	4.750	0	10	BJAE	
CCCOc1cccc(N[C@H](C)CCC(C)C)c1	36995504	XIBBOWRTKAJLAY-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
CCC[C@@H](C)N[C@H](C)CC(C)(C)c1ccccc1	37189471	KGTSXAHOZPDFFW-HUUCEWRRSA-N	247.426	4.521	0	10	BJAE	
Cc1ccccc1N[C@@H](c1ccccc1)C(C)C	37216463	PLRHEVAGOIGGJL-QGZVFWFLSA-N	239.362	4.804	0	10	BJAE	
CCCC[C@@H](C)N[C@H](c1ccccc1)C(C)C	37281123	LUDQLTITKFANJF-ZBFHGGJFSA-N	233.399	4.552	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)c1ccc(CC)cc1	69372600	VTIJQUNMJLGSMX-WMLDXEAASA-N	247.426	4.868	0	10	BJAE	
CCCN[C@@H](c1ccoc1)[C@@H]1CCCC[C@@H]1CC	70414564	LXBMVHSCQCTBQG-IMJJTQAJSA-N	249.398	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(c2ccc(C(C)C)cc2)C1	71109713	ZVVQHGIXKKCJKA-YOEHRIQHSA-N	245.410	4.564	0	10	BJAE	
C[C@@H](Nc1ccsc1)c1ccc(Cl)cc1	85527501	XEHWJQHILCDJQO-SECBINFHSA-N	237.755	4.575	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1cscc1C	87288401	PVKCAZBUUGCMCJ-OCCSQVGLSA-N	239.428	4.663	0	10	BJAE	
CCC[C@H](N)c1cc2c(C(C)C)ccc(C)c2o1	88075524	YZCGJCUCCZNEQX-AWEZNQCLSA-N	245.366	4.665	0	10	BJAE	
CC[C@H](C)C(=O)C1(c2ccccc2)CCCCC1	93187735	UPRZRNROEGEGFV-AWEZNQCLSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1C)C1CCCC1	103946514	HWRDLLQLZJLILX-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
C=C=C(CCCC)c1ccccc1Cl	106488786	AZWLVYPNRXZSEN-UHFFFAOYSA-N	206.716	4.699	0	10	BJAE	
Cc1ccc(NC2CCC(C(C)C)CC2)cc1C	109755674	GWFPTEQXAUSCAG-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C)c1cc(C)c(C)cc1C	109944585	NBMMLHSHOBGTRV-JKSUJKDBSA-N	247.426	4.841	0	10	BJAE	
CC[C@H](C)Oc1cccc(N[C@H](CC)C(C)C)c1	109948591	QVZDMIJVXGGUPD-XJKSGUPXSA-N	249.398	4.710	0	10	BJAE	
CCC[C@H](C)CNc1cccc(O[C@@H](C)CC)c1	109948712	SXNFJVZIYGYRFR-KBPBESRZSA-N	249.398	4.712	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CNC(C)C)C(C)C	110185561	HTZMGDUCYQXHHE-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC(=O)c1cc2ccccc2o1)C(C)(C)C	125329819	JMKLUBNJVZYYQQ-NSHDSACASA-N	244.334	4.688	0	10	BJAE	
CCc1ccc([C@H](NC)C(C)(C)CC)cc1CC	127996132	JTQVELHZDYQOBY-INIZCTEOSA-N	247.426	4.508	0	10	BJAE	
CCC[C@@H](C)Cn1ccc2ccc(Cl)cc21	128867400	DFXURQJSGNYKQA-LLVKDONJSA-N	235.758	4.731	0	10	BJAE	
CCCCC[C@@](C)(O)c1cccc(CC(C)C)c1	165415250	LZAITTCLFVRFJS-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CCC[C@H](C)C2)c(C)c1	166266600	DGSZBLSKGRKHFT-XHDPSFHLSA-N	244.378	4.621	0	10	BJAE	
CCC[C@H](NCC)[C@@H]1CCCC[C@@H]1C(C)(C)C	212613135	KKXYGHBEWYZDFF-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
Cc1c(Cl)cccc1[C@@H](N)C1=CCCCCC1	219639306	DSIHYIJTEVIZLX-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
CC[C@@H]1[C@H](O)[C@@H]2CCCCCCCCCC[C@@H]12	225153936	RRZWBPBDTAGFHB-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@@H](NC)[C@@H]1CCCCC1(C)C	226879486	SBHQEVYZVURVHS-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@@H](C)CCC	228725007	ZNJUZMGSEBPVRL-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)C)c1ccc(C)c(C)c1	229178360	OHWBDMQIUPSHTI-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CC(C)CCCC(=O)C[C@H](C)CC(C)(C)C	229450911	SFOSNGVMLZGZSW-ZDUSSCGKSA-N	226.404	4.844	0	10	BJAE	
CCCN[C@@H](CCC1CC1)c1ccc(C)cc1C	229558409	RXBXRTXIHFWUQQ-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCC[C@@H](C(C)C)C1	230988333	NEISFCMAUDYTEI-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](CC)Nc1cccc(C(F)(F)F)c1	233349104	DSHVBOOPLRJATI-NSHDSACASA-N	245.288	4.696	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC2(C)CCCCC2)CC1	300555241	RZDTWCUOGLGOFO-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](n2ccc3ccc(F)cc32)C1	301863405	AALRGMGWBSSPHC-IUODEOHRSA-N	245.341	4.922	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCCC)c1cccc(C)c1	302439716	TYSNVNLBAGAWCE-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@@H](CCC)CC(C)C	308051388	MDRNVDZPWKPLKN-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CC(CC)CC)NC	308053773	OIEBUQANUVNCOD-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
Cc1cscc1-c1ccc(C(F)(F)F)cc1	309345862	JXYMVLFXAMFNFV-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
CC[C@@H]1CC[C@@H](N)[C@@H](CCC2CCCCC2)C1	310064101	BQOVQMKZHCHQJI-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CSc1ccc(N)cc1)C1CCCCC1	310456444	DANADEFZKYCRRN-GFCCVEGCSA-N	249.423	4.577	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](CC)c1cccc(C)c1	310716463	WORXAZIFGAUWDC-YSVLISHTSA-N	247.426	4.860	0	10	BJAE	
C[C@H]1CC[C@H](N[C@H]2CCCC23CCCCC3)CC1	313112302	MRUGNXSNKXDXMS-JYJNAYRXSA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@@](C)(CC)C[C@H](C)c1ccccc1	317446441	YREXHVGTSCZDLV-RDJZCZTQSA-N	247.426	4.596	0	10	BJAE	
CC(C)CC[C@]1(CNC(C)C)CCC[C@@H](C)C1	317586234	IKUSROFQUDDZBE-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C)[C@@H](C)[C@H](C)CC	320074035	NSDFKGHNGWXEBL-KMFMINBZSA-N	247.426	4.636	0	10	BJAE	
CC1CCC(CC(=O)C[C@@H](C)C(C)(C)C)CC1	383596223	PDKGGLMNNXLBIK-ROKHWSDSSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CCC(C)C)C[C@@H](C)c1ccccc1	384919351	PFPUQGOLDKJQIX-WBVHZDCISA-N	247.426	4.595	0	10	BJAE	
CCCN[C@@H](c1ccc2sccc2c1)C(C)C	386511589	BYTCZSFTPMDHSC-OAHLLOKOSA-N	247.407	4.598	0	10	BJAE	
C/C(=C/c1cccc(Cl)c1F)[C@H](C)Cl	393691405	RWKVHMVVIPMKIC-UAPHAKCISA-N	233.113	4.510	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)c1sccc1C	400376094	CSNQOYCFZJLPLM-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)CC1(C)CCCC1	401313766	YSVLLKYYEVFQBB-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC(C)C1CCC([C@@H](N)C[C@@H]2CC=CCC2)CC1	402126062	DFWYEIFQSPCIHU-VXLLPVPCSA-N	249.442	4.523	0	10	BJAE	
CCC(C)(C)CCNCCCCCC(C)C	686306256	YPSVWPSABFSUMH-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCCCc1ccc(NCC2(CC)CC2)cc1	687533025	DUXXLPKUZRXCRH-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCN[C@H](CC1CC=CC1)C1CCC(CC)CC1	692059793	NLWKLYLDAUSOKA-BDVYOWHSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)CC(C)(C)C1CC1	692144552	HGHATQLRVZJURL-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@@H]2CCCC3(CC3)C2)C1	695982724	GPFKFHZKISITMV-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)CC(C)(C)CC	696162691	BDKRLZIANLKVMM-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)c1cccc(C)c1	696219303	HFCLXOZHSDXEEJ-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1CCC=C(C)C	697747112	ALAWMEVOCZPJSZ-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@H]1CC2CCC1CC2	697775729	VKBHLLFJVWTUBK-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]([C@@H](CC)c1ccccc1)C(C)(C)CC	701135433	ANTVFKLWBCKBCP-JKSUJKDBSA-N	247.426	4.595	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1csc2ccccc12	701249038	NWRONBHENUVCOW-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CCCC[C@](N)(CC)[C@@H]1CCCC[C@@H]1CC	702027737	UMTCDDHEHDMPFM-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1C[C@@H]1C(C)(C)C	704170285	KVKJFLZDUFZBDF-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
Cc1c(Cl)cccc1O[C@@H]1CCCC[C@@H]1C	704931520	FEIYXQQNMOIGAI-GXFFZTMASA-N	238.758	4.606	0	10	BJAE	
CCC[C@](N)(CC1CCC(C)(C)CC1)C1CC1	705325877	QVLMGLZHKGWMBU-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H]1CCCC12CC2)C1CCCCC1	706286864	UPPAYFHSDHURRR-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)[C@@H]2CCCC23CC3)CC1	706287810	XPNXMRXJTUZTGN-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@@](C)(N)C[C@@H](C)CC(C)(C)C)c1	709147207	SDCMZQNPGDRJIY-YOEHRIQHSA-N	247.426	4.631	0	10	BJAE	
CCC1CCC(O)(C[C@@H](C)CC(C)(C)C)CC1	709258526	JODOJNABUGSBOJ-HLIUYOAVSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C[C@@H](O)c1ccc(C)s1)C(C)(C)C	711210010	GUFHEBSHESZCRB-VXGBXAGGSA-N	240.412	4.552	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H](C1CCCC1)C1CCC1	711832014	NFRMVRSHWUALJG-DYVFJYSZSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1C[C@H]2CCCC[C@H]21	712424199	ZCORMPNMEJBPBU-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC(C)(C)C(C)C)c1cccc(C)c1	713143438	VOGCYAQXBPTLNF-INIZCTEOSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C(C(C)C)C(C)C	713271980	KXIPMRZUCUIRMC-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc(Cl)c(C)c1	713325599	JGUXBDZRXAZWNW-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
C=C/C=C\CC[C@]1(CNC(C)C)CCCC[C@H]1C	713724908	KVJNKAPYQHXAIZ-TZNMXKOXSA-N	249.442	4.703	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CC[C@@H]2CCCC[C@@H]21	714279759	CPPMMHHEUPPBRM-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)c1ccc(C2CC2)s1	716615869	DVRPRPCAEXEDNM-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
CCCCCC(C)(C)CNCCCC(C)(F)F	718273294	XJSFALZVPQKEKE-UHFFFAOYSA-N	249.389	4.618	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1CC2CCC1CC2	718631720	FXEJRCMOVYWQHN-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc(CSC2CCCC2)cc1	1458932202	FHRXYAXGOHXJGT-UHFFFAOYSA-N	234.408	4.986	0	10	BJAE	
Cc1ccccc1CSC/C(Cl)=C\Cl	1652392926	DJKHDVGHBXPKSA-IZZDOVSWSA-N	247.190	4.547	0	10	BJAE	
CC1(C)CCC[C@]2(CCN2CCCC2(C)CC2)C1	1875948775	HMLDXXVXKJKGIJ-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CCC3(CC3)C2)CC1	1876380088	MZCKEDXOUUSGQP-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CCC(C)=CCCc1cccc(Cl)c1	1888066591	WXQSHBRVCUIURH-UHFFFAOYSA-N	208.732	4.629	0	10	BJAE	
CCCCCC[C@H](CCC(CC)CC)NC	1900695990	IYCBULLXUBCLTA-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@H](C)[C@H](C)C(C)C	1901682097	KXAUNYXXELBRMR-VXGBXAGGSA-N	240.774	4.708	0	10	BJAE	
CC[C@H](c1nc([C@H]2CC2(C)C)cs1)C(C)C	1901913218	XGVZTSBCCXEUKL-WDEREUQCSA-N	237.412	4.806	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)c1cccs1	1905433516	HBHGHNQXLJTYET-QWHCGFSZSA-N	239.428	4.615	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@@H](C)CC	1905434686	LVTKEZXLSBUNOH-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@](C)(O)C1(C)CCCCC1	1908571727	LESDXAOJYIHSJQ-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
N[C@H]1CCCCCCCC[C@@H]1CC1CCCC1	1913404091	MHZNLVTZDBXUTL-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)c1ccc(C)cc1C	1920461787	PUOOBDYTTFSPNI-QGZVFWFLSA-N	247.426	4.694	0	10	BJAE	
CCC(CC)C[C@@](N)(CC(C)C)c1ccccc1	1920485245	XDTVAWJXUSEVGL-KRWDZBQOSA-N	247.426	4.713	0	10	BJAE	
Cc1ccc([C@](C)(N)C[C@H](C)C(C)(C)C)c(C)c1	1920489475	LYKLDCPJEQHVNL-WMLDXEAASA-N	247.426	4.550	0	10	BJAE	
CCCC1CC(C(=O)[C@H]2CCCC[C@@H]2CC)C1	1921274910	KEZSSWXVVOZHOS-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
CCCC1CC(C(=O)CCC(C)(C)CC)C1	1921306737	SHUHEIPFNGSHDT-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)CCCC12CCCCC2	1921561530	GCUAPWRADUUSBG-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNC2CC2)CCCC12CCC2	1921632694	JHCJLOQGJDVIHC-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@H]1CC=CCC1)[C@H](C)C1CCCCC1	1924122172	QHZSZDRPPOPBLK-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@H]1C=CCCCC1)C(C)(C)C	1925887811	CVJFOHWDKCNQQB-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)NC[C@@H]1CCC[C@@H]1C[C@H]1C=CCCCC1	1925893036	RCGHDLIDNQKIPC-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NC[C@@H]2C=CCCCC2)c(Cl)c1	1925934512	NFVBMTUQOSOEQN-CYBMUJFWSA-N	249.785	4.807	0	10	BJAE	
CCC(CC)CCN[C@@H]1CCCC[C@H]1C(C)C	1926159713	NZRINVMJIRMSIT-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H]2C=CCCC2)C1	1932603754	HTLMGMHQGVSQNK-ILXRZTDVSA-N	206.373	4.949	0	10	BJAE	
Clc1cc(C[C@H]2C=CCCCC2)cs1	1933565725	MXHIEBDQRIHRHZ-JTQLQIEISA-N	226.772	4.690	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1cc(Cl)sc1C	1933700984	FZVPOBRPMXTDIY-KWQFWETISA-N	245.819	4.536	0	10	BJAE	
Cc1cnc2c(Cl)ccc(Cl)c2c1Cl	1933847555	RLYOCIAFBBENJT-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CN[C@@H](CC1CCCC1)CC1(C)CCCCC1	1940407708	QXEQMULMPOUYGX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CC1(C)CCCCC1	1940416158	PPMSHPRFCLAOEC-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CCCC1CC1)NCC	1941268300	DDBJHTJFPGDEGL-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(CCCC1CCC1)[C@H]1CC1(C)C	1941463574	IJDZFMAZONKWSC-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H]1C=CCC1)NCCC	1947576009	LDNQBPWRWNNJGG-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CCC(F)(F)CC)CNC	1947889135	SFZQPDWVACBHNT-CYBMUJFWSA-N	249.389	4.618	0	10	BJAE	
Cc1cc(NC[C@@H]2CC=CCC2)c(C)cc1Cl	1948809453	MHCBHNQZEYGOME-CYBMUJFWSA-N	249.785	4.725	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@H](C(C)C)C1)c1ccccc1	1963322035	DPIVHGKIVRLKLC-ULQDDVLXSA-N	245.410	4.552	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC[C@@H]1CCC=CCCC1	1967814507	HVDHMIGYRAQIPK-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)CNCc1ccc(C(C)(C)C)cc1	1969381414	QYMBWNTWFQYFEU-AWEZNQCLSA-N	247.426	4.510	0	10	BJAE	
CC1(CCNc2cccc3ccsc23)CC1	1971686836	UUNKNEHFEXXCCJ-UHFFFAOYSA-N	231.364	4.503	0	10	BJAE	
CCC/C=C/CNc1ccc(CC)c(Cl)c1	1975486372	XRGHTFMZDJQRBB-VOTSOKGWSA-N	237.774	4.671	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C(CC)CC	1978637458	HYRCNMVKQONDQZ-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CCCCCC1CCC([C@@H](N)CCC)CC1	1980313564	ADPBPGNKPQCFDS-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCNC1CCCCCCCC1	1980336060	GWZATZWHGLGZMD-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CCC(C)=C(C)C	1988781490	VTROKPYHSRWXSW-OAHLLOKOSA-N	223.404	4.587	0	10	BJAE	
CC(C)=C(F)Cn1ccc2cc(Cl)ccc21	1989653524	LLKXGEFWJSBNSW-UHFFFAOYSA-N	237.705	4.558	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CC(C)(C)CC	1995261307	CXHMJGVORYNAGE-ZIAGYGMSSA-N	228.420	4.780	0	10	BJAE	
C[C@H](N[C@H](C)C1(C)CCCCC1)C1CCCC1	1995983854	SJTYHEQGGNXQRK-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)C2CCCCC2)C1	1998235067	QPBBGUUSYCDHTP-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2C=CCCC2)CC1	1998381219	UUTSIFVXEUWCOW-AWEZNQCLSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H](C)c1ccsc1	1998381666	YGHKXQGFAKIGLZ-QWHCGFSZSA-N	249.423	4.678	0	10	BJAE	
Cc1cscc1[C@@H](N)C[C@@H]1CCC=CCCC1	1999988621	RXEVITXVYTVPHX-HIFRSBDPSA-N	249.423	4.583	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C(C)(C)C(C)(C)C)C1	2000144459	XDTCRJVXMKFLRM-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
CC1(C(=O)CC(C)(C)C(F)F)CCCCCC1	2000214013	UEGFRFBHKBFZNK-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](NC)C1CCC2(CCCCC2)CC1	2000273014	IHSMHGMGFCUNGL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@H]1CC[C@@H](C)C1	2000515057	YLLAYGHQOYLOLO-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2003014748	BWHQCPJDQRMLHW-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CC1(C[C@H](O)C2(C)CCCCCCC2)CCC1	2004921404	VQBHVRVWAPIIEE-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](C=C1CCCC1)NCC	2007937853	RMXDQBXYVBQNQX-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
C[C@H](CCO)C[C@H]1CCCCC12CCCCC2	2008715203	DXVMYEQERWZNJL-HUUCEWRRSA-N	238.415	4.536	0	10	BJAE	
CCN[C@H]1CCC(C)(C)CC[C@H]1CC(C)(C)C	2009404619	PITWEEKOYUBCNP-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCC(=O)C1CC2(C1)CC(C)(C)C2	2009569844	UFEMFIXGRZNIFT-SNAWJCMRSA-N	234.383	4.518	0	10	BJAE	
CC=CCCC[C@H](N)[C@]1(C)CC[C@@H](C)C1(C)C	2009626270	FCCKWNPTMOBTMI-YCPHGPKFSA-N	237.431	4.523	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCC)CCCC[C@H]1C	2009630761	XOKJJADASFLKMG-ZOESHWHXSA-N	237.431	4.539	0	10	BJAE	
CCCCC1CC(Nc2c(C)cccc2F)C1	2009711719	CGZMMWWBIKNHNM-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
C[C@@H]1CC=C(CC(=O)c2cccc(Cl)c2)CC1	2010607341	ZLXHYZGYXJVTQB-LLVKDONJSA-N	248.753	4.659	0	10	BJAE	
CC[C@H](C)C[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2010718535	BDATYEYRFCJKAW-QEJZJMRPSA-N	237.431	4.523	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@](C)(N)C1(C)CCCC1	2014323722	LBDOUYBOWISMRZ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)C2(C)CCCC2)C1	2014339746	NOCNAKSQBKCNHB-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)C)[C@H](CC(C)C)C(C)C	2015292026	XGYPMYGWCBVOAB-ARFHVFGLSA-N	241.463	4.575	0	10	BJAE	
CCN[C@@H](C)C[C@H](C)CCC(C(C)C)C(C)C	2015343733	GEEKACXTAMLSJG-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CCC(C(C)C)C(C)C	2015345154	OGIMJVKXLJLCHP-ZBFHGGJFSA-N	241.463	4.848	0	10	BJAE	
CC(C)C(CC[C@@H](N)[C@H](C)C(C)(C)C)C(C)C	2015357739	MVRXUJOMEUXOCO-DZGCQCFKSA-N	241.463	4.704	0	10	BJAE	
Cc1cccc(C)c1NCC1(C(C)C)CCC1	2017140382	GOWGESIIOILOCZ-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CCCC(C)(C)CNCC1(C(C)(C)C)CCC1	2017144953	XSSXEJJTJDTJQZ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(F)CC1(CNC(C)C)CCCCC1	2017467900	AASTXIGSSJEVFV-UHFFFAOYSA-N	241.394	4.588	0	10	BJAE	
CCCN[C@H](CC(C)=C(C)C)CC1CCCC1	2017473044	PLWWBOPYWJRUAQ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)CC2CCCC2)CC1	2017647505	FZRBZFAPDHLMFV-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(O)C2(C)CC2)CC1	2017650428	GYRNSJNLYVQNKD-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCNC[C@H]1CC[C@H](CC)CC1	2017654951	IEPOHNUKWQGBEE-SHTZXODSSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC[C@]2(C)O)CC1	2017711802	IBQFEMKBKRPAFC-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2CC[C@H](CC)CC2)CC1	2017732238	ZLHCXLUNBSRQIU-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1CCC[C@@H](C)C1	2018137999	BDNXSNZXHVZHPE-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
CCCC1(CCC(=O)c2ccccc2C)CC1	2018937205	LEGNNNDOSDBNNP-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)[C@@H]1C=CCCCCC1	2019122934	ZGHAARILVLLPTD-HUUCEWRRSA-N	237.431	4.632	0	10	BJAE	
CCCCN(CCCC)[C@H]1CCC[C@@H](CC)C1	2019200991	ISGXFXFTBYLOEJ-CVEARBPZSA-N	239.447	4.857	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C[C@H](C)C2CC2)CC1	2019696686	GLQHJTMSUYITKZ-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCc1nc2c(C3CC3)cccc2c(Cl)c1C	2021027108	PYRQLDRBGNCVPP-UHFFFAOYSA-N	245.753	4.636	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(O)CCCC(C)(C)CC1	2022449515	XRTKBIVNXNSKTM-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCC[C@H]2CCCC[C@H]21	2022990281	DBJOXMNGPASQTO-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2C[C@H](C)CC2=O)CC1	2023634525	YPGOFALSHWUQPP-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2024093538	CHQMMHKFXSDFDE-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@H]1CC(C)(C)CCC1=O	2024116930	JJPAUYJWTZKHSX-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@H]1CCCC(C)(C)C1	2024126749	YZVKFEJNJDGJFR-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CCC1CC1)NCC	2026170139	NOSMHJUMYHLQHE-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC1(CCC(=O)CC(C)(C)c2ccccc2)CC1	2027735373	IJEACGNIJYPPPA-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H]1CC[C@@H](CN)[C@@H](CC2CCC=CCC2)C1	2028875764	OXQKORPBNFTLDY-HYVNUMGLSA-N	249.442	4.524	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@]12CCCC[C@@H]1CCC2	2031763033	ZWKPFYIIUIEUOF-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](NC[C@]12CCCC[C@H]1CCC2)C1CC1	2031809097	PBMRUGBIJDDKMO-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(CNC2(C3CCCCC3)CCC2)CC1	2033059859	ZVRUNCLBRVNCEY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NCC(C)(C)C2CCCC2)cc1F	2034017661	LLXLLJQVMDYXOW-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CCC1CC(N[C@@H](CC(C)C)c2ccccc2)C1	2034901121	BONKHGJHKLBXCG-PREGVCBESA-N	245.410	4.552	0	10	BJAE	
CC1(C)CC(C(=O)C[C@H]2C=CCC2)CC(C)(C)C1	2035565000	IQNPFUMCWPTQPA-ZDUSSCGKSA-N	248.410	4.764	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2C=CCC2)CCCC[C@@H]1C	2035590609	KRPVAQYSUOJWHD-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H]1CC12CCCC2	2036095228	PDWLMEKWJBMPFJ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)C1=CCCCCCC1	2037074544	RMYUEFUODRUZIV-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CCC1(C[C@]2(N)C[C@@H]3CCCC[C@]3(C)C2)CCC1	2037106556	JGFILKOBLUNMHC-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
NC1(CCC2=CCCCC2)C[C@H]2CCC[C@@H](C2)C1	2037168861	MQTATPHAVKJJFC-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CC1CCC=CCC1	2037210247	VBKRXLWJUBISKU-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC[C@H](NC2CC3(CCC(C)(C)CC3)C2)C1	2038934317	SXBYTLLGGFJKEM-KGLIPLIRSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(NC[C@H]2CC23CCCC3)c(C)c1	2039092604	QUFVKZASTXDKDH-OAHLLOKOSA-N	243.394	4.604	0	10	BJAE	
Cc1ccccc1[C@@H](N)[C@H]1CCCC(C)(C)CC1	2039375116	JCWBGCVFXCMPQH-HOCLYGCPSA-N	245.410	4.601	0	10	BJAE	
CC1(C)CC2(CC(C(=O)CC3CCCCC3)C2)C1	2039417130	CGZARIXBJLGIJV-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCNC[C@]1(CCCC2(C)CC2)CC=CCC1	2042094505	QQHKOVMAOGSMDJ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC(C)(C)C1CC([C@@H](N)C[C@H]2C=CCCCC2)C1	2042998514	RAABDSVWRRLBDG-LBDPXKHJSA-N	249.442	4.523	0	10	BJAE	
C[C@H](NCCCCCC1CC1)C1CC2(CCC2)C1	2043531706	PPUXOHXZAAWNEL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1CC([C@@H](C)Nc2ccccc2C(C)(C)C)C1	2043542954	GIQQUFRAHPZKQL-ROKHWSDSSA-N	245.410	4.831	0	10	BJAE	
CCCC1([C@H](NC)c2ccc(C)cc2C)CCC1	2045733646	UGKMGNXYIQWDIX-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)[C@H](C(=O)CC1(C)CCC1)c1ccccc1	2046907760	FYLCNWHFYXTXHY-INIZCTEOSA-N	244.378	4.576	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2C[C@@H]1CC12CCCC2	2047020295	OQGRVDQRXIHXHN-UONOGXRCSA-N	241.378	4.556	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21)C1CC1	2047424436	LAQADWRBGBFEMB-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@]1(C)CN[C@H]1CCCCC12CCCCC2	2047598417	XZJJFIOMVBHHBF-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@H](N)[C@]1(C)CC=CCC1)C1CCCCC1	2047682736	AKKWMRZALPNTPD-BHYGNILZSA-N	249.442	4.667	0	10	BJAE	
CNC[C@@]1(C[C@H]2CC=CCC2)CCCC(C)(C)C1	2049513224	ZIIJOTPLLAZHSI-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2C[C@H]1CCC2(CC2)C1	2049859184	QDCGYEJXCRDYEQ-KGLIPLIRSA-N	241.378	4.556	0	10	BJAE	
CC1(C[C@H](N)C[C@H]2CCCC3(CC3)C2)CCCC1	2049859191	QELCGELRXSGMCT-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(C[C@H](N)c2ccccc2C)CC1	2050460120	FCHDEXCEWRADNI-DQPZFDDXSA-N	245.410	4.601	0	10	BJAE	
CN[C@H](CC=C(C)C)c1ccccc1C1CCC1	2051399227	GRRFLJZMKWCIHS-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCC1(C2CCC2)CC1	2051905350	KTZAEWOUFZVFGX-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@]1(CCC2CCC2)CCCC12CC2	2053361703	YEAXGYHSOWNKRL-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CC[C@]1(CN)CCCCC12CC2)C1CC1	2053417255	ACIKEMAREOFXGZ-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
F[C@H]1CCCC[C@@H]1Nc1ccc(C2CCC2)cc1	2055147726	QOBUILQNZFHUMI-HOTGVXAUSA-N	247.357	4.647	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H]1CCCC[C@H]1CC	2056872969	JAGSBUGWMXKZMU-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@](CCC2(C)CC2)(CNC2CC2)C1	2059180200	IPCRMYVJYLFLIP-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2059268650	ZYQMXAUABGCOKO-HZMVEIRTSA-N	249.442	4.667	0	10	BJAE	
CCCCCC1CC(N[C@@H]2C[C@@H]2C2CCCC2)C1	2059394941	DEZAJYRRHFBCCI-OKEQZYBDSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C)CC1)C1(C)CC(C)C1	2060920434	DVHUCMLUJNDDPO-SMOLVSOFSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](NC)C2=CC[C@@H](C)CC2)C1	2060924562	FURUBMXQPXGPMM-TXCZRRACSA-N	249.442	4.537	0	10	BJAE	
CCC1([C@@H](NC)C2=CC[C@@H](C(C)C)CC2)CCC1	2061146115	DWAGOBFHOGPKNY-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C(C[C@H](N)CC2CCCC2)CC1	2061149741	FUYRBGBGLGZPHK-IAGOWNOFSA-N	249.442	4.667	0	10	BJAE	
c1cc(C2CC2)ccc1NCC[C@@]12CCC[C@H]1C2	2061573127	VUQVMBOCVZWXBS-DOTOQJQBSA-N	241.378	4.556	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@]23CCC[C@@H]2C3)cc1	2061604038	XFQMNCWXRJNDSF-NVXWUHKLSA-N	242.362	4.573	0	10	BJAE	
CC=CCCC[C@H](C[C@]12CCC[C@@H]1C2)NCCC	2061619098	YUGOEUSMTULHNW-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCCCC23CC3)[C@@H]1C	2062019244	VHJAAOCCIHWHPH-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(NCC[C@@H]2CCC[C@@H]3C[C@@H]23)CCC1	2062313787	IMRAIXSAJVNIGN-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC(C[C@]3(C)CCCCCN3)C2)C1	2063207667	JBMCBITYZRDMDB-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063481856	XOYXPNQXWOHZTG-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NCC1CCCCCCC1)C1CC2(CC2)C1	2064596746	QVGQGTCWPDXASR-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)CC23CCC(CC2)CC3)C1	2065309030	WWEGFZVSDZFNJH-NZZOYKRFSA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cccc(C(C)C)n1	2066350581	YXUMKNKYJLVWSP-CQSZACIVSA-N	248.414	4.976	0	10	BJAE	
CC[C@H](N[C@@H](C)C1(C)CCCC1)c1ccccc1	2067507326	ANEVYRSCJWAHMP-HOCLYGCPSA-N	245.410	4.696	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068776035	ZWTGNZALOOSCON-FWTFNCGHSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C[C@]1(N)C=CCC2(CCC2)C1)C(C)C	2069019146	NAPBOCCLBPZZCC-QGZVFWFLSA-N	249.442	4.523	0	10	BJAE	
CCCC1(C[C@@H](N)C[C@@H]2CCC23CCC3)CCC1	2069340830	ZDFKCGCEUMHOFN-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(N)C[C@]12CCC[C@@H]1C2	2070971862	PLWYLPVGKWZYKW-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CC)C1=CC[C@H](C)CC1	2071509023	ZXNLJSGTIHZELU-NXNVCVFFSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]1C1CCC1)C1(C)CCCCC1	2071795438	SZWMBGIPMJEPFH-CWRNSKLLSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@]23C=C[C@@H](CC2)C3)CCC1	2071925243	COFJALWTECWLPW-BBRMVZONSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCC1)C1(C(C)(C)C)CCC1	2071932663	HDSNEXCGMIWUQU-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC([C@H](N)c2cc(C)c(C)o2)CC1	2072702915	SOUSWEYUNSSYJH-XUJLQICISA-N	249.398	4.503	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@H]3CC[C@H]32)CC1	2072806980	QQBZQDDIHXUHII-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@@]12CCCC[C@@H]1C2	2074031337	YHHMZSLLLKBNKE-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(NC[C@]23CCCC[C@H]2C3)cc1	2074047939	TWMZVJLIPFBOPY-DOTOQJQBSA-N	243.394	4.631	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)c1occc1C	2074645926	HHIRFYKEKYUMGM-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1	2074648709	LRDZWGGXKZSLIO-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(N2CCC[C@H]2C2CCCCC2)CC1	2075120781	PMLRBUFTUAMWMY-PREGVCBESA-N	249.442	4.610	0	10	BJAE	
C1=C[C@H](N2CCC[C@@H]2C2CCCCC2)CCCC1	2075405409	OZAMBAGODZDJSS-DLBZAZTESA-N	247.426	4.530	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H](C)C2CCC2)cc1C	2075824283	RRPQYCUMSSZWGA-ZDUSSCGKSA-N	244.378	4.621	0	10	BJAE	
CC(C)=CCC[C@@H](N)[C@@H]1C[C@H]1C1CCCCCC1	2079786012	LQMRMHZYGSNOQW-GVDBMIGSSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2C[C@@H]2C2CCCCCC2)C1=O	2079840766	DVVWUJPZTAXZBS-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
Fc1cc(-c2cccs2)cc(C(F)(F)F)c1	2080293895	JHHLAKGRVDCOFS-UHFFFAOYSA-N	246.228	4.573	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2C[C@@H]2C2CCCC2)C1	2083032897	MNIJYTWUHRSFJM-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1CCC[C@H](C)[C@H]1C[C@@H]1C=CCCCC1	2083658320	ZHEVJVGZWAJRSI-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCCc1ccc(NCCC2(F)CCC2)cc1	2084759368	HWMKNHKWPUNEEA-UHFFFAOYSA-N	249.373	4.723	0	10	BJAE	
C[C@@H]1CC[C@@H](CCC=Cc2ccccc2)C1	2210663073	XGXRKZNWLFCTHD-GDBMZVCRSA-N	214.352	4.916	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)CCCCCCC1CC1	2213576840	VHYMOSAYUNNAHN-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1CC[C@H]1C	2215119800	ZJTFTDDYPZPSCI-DOMZBBRYSA-N	232.367	4.543	0	10	BJAE	
C[C@@H](CC(=O)C1(C)CC2(CCC2)C1)C(C)(C)C	2215375815	VQANUUXXZUKAAI-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC1(C)CC(C)(C)C1	2215389442	WOYWDWRCZLBCQD-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC[C@H](CCCCCCCC2CC2)[C@@H]1O	2216876482	XVUZEGQMMOJBOR-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCC1CC(N)(CC2C[C@H]3CCC[C@H](C2)C3)C1	2218360242	ZZVSHLJGXPOQFE-JPQBHMHHSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCNCC1C[C@H]2CCC[C@H](C1)C2	2218363631	GCMCGTLRIYOKGC-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(NCCCCCCC2CC2)c1F	2218717377	CPIGDEFJIZHBJC-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CCCC12CC2	2218722532	BMTBWMBIZMWRCF-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc(CCC=Cc2ccccc2)c1C	2219073913	MFZVKVOQQIYHHU-UHFFFAOYSA-N	236.358	4.949	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@@H]1CCCCC1CC1	2220045517	OAAWAUZOQZJOAG-DZGCQCFKSA-N	243.394	4.802	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2(C)CC3(CCC3)C2)C1	2221070995	HHQYAPHVOYIRKG-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@]1(C)CC=C(C)CC1	2221622560	IHZMYSUOCAWWEV-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccc2occc2c1	2224163538	VPIFQCSGYKTNBB-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1cccc2ccoc12	2224195385	CLXUZDTYJRFPRZ-ZFWWWQNUSA-N	246.350	4.539	0	10	BJAE	
CCC(C)(C)CC(=O)CCCC[C@H]1C[C@H]1C	2243043792	YRHHIZDJPFESAR-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](CC[C@@H](C)CCCC(C)C)C(C)=O	2244851398	KWNMSZMZDPFJPW-DZGCQCFKSA-N	226.404	4.844	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC[C@@H]1CCC[C@@H](C)C1	2246666954	WVSFUPVTUOSLPF-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CCCC1([C@H](N)CC[C@H]2CCC[C@@H](C)C2)CC1	2246728724	TYHZSUHSDBFNHL-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(N)CCC(C)(C)C2)C1	2246733108	PTILWCLWVOJQFL-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
O=C1CCCC[C@@H](c2cc3ccccc3s2)C1	2246953371	YNPJYHKVVZDVMV-LLVKDONJSA-N	244.359	4.518	0	10	BJAE	
CC1(C)CC[C@H]1C[C@H](N)C1CCCCCCC1	2247310784	NRGAFZFDFKPWHC-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2CCC2(C)C)C1	2247390202	FNXNLOHZTWJAMQ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCc1cccc(F)c1NCCC(C)=C(C)C	2248092145	NGQITVWZAFRHQP-UHFFFAOYSA-N	235.346	4.546	0	10	BJAE	
CCC[C@](O)(CCCCC[C@@H]1C[C@H]1C)C1CC1	2248869301	HEOSMLZKIZCBFE-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCCNCC1	2250469181	LWVGPRDMQDUXEY-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)N(C)CC[C@H](C)CCCC(C)C	2250515488	ZGWRKOZJTORMQL-OAHLLOKOSA-N	241.463	4.959	0	10	BJAE	
CCCC(O)(CCC)C[C@]12CCCC[C@H]1CC2	2251213698	ZRRQUWCBNVZEEF-LSDHHAIUSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](C)[C@H](O)CC1CC(CC(C)(C)C)C1	2251535151	LQPBBYSILADPNZ-XSCHDIRWSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)N[C@H]1CC(C)(C)CCC1(C)C	2251682691	XTAVZGQDJQFORZ-KBPBESRZSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H](N)C[C@H]1CCCCC12CC2	2253789305	RLMIOOAPHZRJBA-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H]2C(=O)C[C@H]3CC[C@H]2C3)C1	2253966338	URUQCELOIOBWSN-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC1CC2(CCCC2)C1	2254113426	JKLBJPNPKKNQCU-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
C[C@H](C(=O)CCCC[C@@H]1C[C@@H]1C)c1ccccc1	2254575683	FELJZFUNQVFFLZ-OFQRWUPVSA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)NCC1(C[C@H]2CCC23CCC3)CCC1	2254836057	VUXVQJSFCSMPLN-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@](C)(CC[C@@]23CCCC[C@@H]2CC3)CN1	2260586750	JFXSVVYOVCPJHQ-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H]1CC[C@@H]2C[C@H]12	2297867430	HOQXBINGCKIHQM-IXYNUQLISA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@@H](C)CC1CC1	2298906864	CJOHNRPBFWALBH-ZDUSSCGKSA-N	232.367	4.686	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@H]1C[C@H]1C(C)(C)C	2300473736	BLEWNVCUHSATSQ-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@@H]1CCC12CCC2	2300501621	PMZRVQVYPYGSBM-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@](C)(N)[C@]12CCCC[C@@H]1C2	2300704971	YSFAVIZRSRLXCJ-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC1(C(=O)CC=C(C)CCCC(C)C)CC1	2300901121	GDGOUUUZHFWLOR-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CC1(C)C[C@@](C)(CCC2CCCCCC2)CN1	2301188134	IPKDOWIYWATGOR-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)[C@H]1CCC[C@@H](C)CC1	2301836465	MXMOXTWNGNGZFI-KBXIAJHMSA-N	238.415	4.700	0	10	BJAE	
Fc1cccc(CCCC2=CCCCC2)c1F	2302346399	GAWQFHZKTOVKNI-UHFFFAOYSA-N	236.305	4.788	0	10	BJAE	
CCC1([C@@H](N)CCCC2=CCCCC2)CCC1	2302346685	JRJZASFXYMOYFU-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H]2CCC[C@H]2N)CC1	2302504277	OYHOBOMIQCMBRA-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC2(N)CCCC2)CC1	2302556359	ISOUVVLSCGDGDG-SHTZXODSSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CC[C@@H]1C(C)(C)C	2303401876	PGMXAYVEOYBZOH-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@@H]1CCC(C)=C(C)C1	2303532778	RYLSTXRCVDKXFM-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@@](N)(CC2CCCCCC2)CC1	2303584282	QXMCBVDPGWBUEV-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2(C)CCCC2)CC1	2303592473	LESCKTOLCJCYBD-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@](C)(CN)CC[C@H]1CCC(C)(C)C1	2304411939	NEJILPYJRNXFQG-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCN[C@@H](C(C)(C)C)C1	2307822912	NUDQLYLYPJPCFS-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1CC(C(C)(C)C)C1	2307833991	GENNHTIJRQCYFU-XSCHDIRWSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2308399542	BPNNPFBXWCIGMY-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
O=C(C1CCCCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309180870	MMJBIBXSMNRNKG-JYJNAYRXSA-N	248.410	4.742	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@@H]2CC[C@H]12)C1CCCCCC1	2309518206	RLPLQGLHYIBUPT-ORQFMDKSSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2CCC[C@@H]3C[C@H]23)C1	2309965384	ZEXKSHBUKQJRSM-TUVASFSCSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@@H]1CC)c1ccco1	2312458486	HCJWFXXDMJWTAP-ZNMIVQPWSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2313289795	MRTQEQUDTSVGLT-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
OCC=CC=C(C1CCCCC1)C1CCCCC1	2316413826	OUGFGDKWROAHQL-UHFFFAOYSA-N	248.410	4.622	0	10	BJAE	
CC(=CC[C@@H](N)c1ccoc1C)CCCC(C)C	2316500985	BPOKYNCKAWGPIQ-MRXNPFEDSA-N	249.398	4.751	0	10	BJAE	
CC(=CCN1C[C@H]2CCC[C@H]1C2)CCCC(C)C	2316506216	LDUFTDOFYKQSCT-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
CCNCc1cc(C[C@H](C)CC)cc(C(C)C)c1	2317091479	YFJOPSALKKWQNF-CQSZACIVSA-N	247.426	4.508	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CCCC1(C)C	2317917430	IZTQQIWAMPBBDF-HNNXBMFYSA-N	249.373	4.940	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)[C@@H](C)[C@@H](C)C(C)C)c1	2317993111	WHJAUXZIPOZING-JLJPHGGASA-N	247.426	4.540	0	10	BJAE	
Cc1ccc(C)c(NCCCC2=CCCCC2)c1	2318569290	PBVWOEFFKPPMJR-UHFFFAOYSA-N	243.394	4.996	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)C1	2319292913	KPDDTHRJCMMURI-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)CC23CCC(CC2)C3)C1	2319325776	JHEYTVKRKKQBJG-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C(=O)CC[C@H]2CC[C@@H]2C2CC2)CC1	2319731275	SLJWIVRYHYVVNT-IGDQZBHYSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CNC2(C(C)(C)C)CCC2)CC1	2320422683	ILMLVPFYIULRLI-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
c1cc2c(c3c1CCCC3)CC[C@H]1CCCC[C@@H]21	1704773	DISXLARWFONJQP-GDBMZVCRSA-N	240.390	4.785	0	10	BJAE	
CN[C@H](CCC1CCCCC1)c1ccc(C)cc1	35466247	KIAHJHBOQMVSGY-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCC[C@H](C)Nc1ccc([C@@H](C)CC)cc1	36953533	XODDYRASZGHVLE-STQMWFEESA-N	219.372	4.801	0	10	BJAE	
CC(C)(C)c1ccc([C@@H]2CCCCC(=O)C2)cc1	80386044	GLWAPXYAUHMNCI-CQSZACIVSA-N	244.378	4.601	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@H](Nc2cccc(Cl)c2)C1	82857294	DIMKRGBNZWKYGN-JTNHKYCSSA-N	237.774	4.577	0	10	BJAE	
CCCCCC[C@]1(CN)CCC[C@@H](CC)C1	83782353	HKEKIDZNXIFARP-CABCVRRESA-N	225.420	4.502	0	10	BJAE	
CCCC[C@](CC)(CNCCC)[C@H](C)CC	87172834	YCMRRAGBSYJGSV-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CCC(C)(C)C)CC1	87187326	XNTXWHNLDWRGKI-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCCc1ccc([C@@H](O)C2(CC)CCCC2)cc1	94906787	JTOZLMQDDGBAQB-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
C/C=C\C[C@H](C)c1ccc(Br)s1	107596960	SEIUHMLHKGIEEC-VEMNSZJBSA-N	245.185	4.580	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1C[C@@H]2CC[C@@H]1C2	109790835	MHQGLVNGDKPEED-IOASZLSFSA-N	243.394	4.585	0	10	BJAE	
CCCC[C@H](CC)CNc1cccc(CC)c1	110159033	NPANWWPMVDPDTL-HNNXBMFYSA-N	233.399	4.877	0	10	BJAE	
Cc1cc(Cl)c(C(=O)CCC(C)C)cc1C	122201258	QSNWZQOXDCAKMI-UHFFFAOYSA-N	238.758	4.576	0	10	BJAE	
CC(C)(C)CCNCc1ccc(C(C)(C)C)cc1	123870311	ORQWDCCPUOTFHQ-UHFFFAOYSA-N	247.426	4.510	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1cc(C)c(C)cc1C	125322607	NMONOHPLXNKEJX-RDJZCZTQSA-N	248.410	4.862	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](O)CC2CCCCCC2)C1	125940026	VFQPWXPJYAXBGB-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCc1cccc(C(=O)C2C(C)(C)C2(C)C)c1	127510003	YOQABVPBCKVJLO-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCn1c(-c2ccccc2)cc2ccccc21	128476477	RZBBKEUOFILISK-UHFFFAOYSA-N	235.330	4.718	0	10	BJAE	
CCCNC[C@@H](CCCC(C)C)c1ccccc1	130527243	GYZMXSAPDVVHCK-QGZVFWFLSA-N	247.426	4.596	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1ccccc1C1CCC1	132543573	PERFZYVHGVVGEH-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCCN[C@H]1CC[C@](C)(C2CCCCCC2)C1	164802296	TVCOABMIAAWNSZ-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C(C)(C)CC	167832082	VOMCEXRJVAFZEB-GFCCVEGCSA-N	212.377	4.598	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H](CC)CCCC	221155224	ICHLHZRNDDUVPP-UONOGXRCSA-N	214.393	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccc(C)cc1Cl	229621422	NPDDDOJLQHYXSO-DGCLKSJQSA-N	237.774	4.639	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1)C1(C)CCCCC1	233632134	CHBGHHPJNAKOCZ-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1NC1CCCCCCC1	235297492	TVBHIKQIEIYMLQ-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
C[C@H](c1c[nH]c2c(F)cc(F)cc12)C(C)(C)C	235535584	OCRVKBUXHDXXGU-MRVPVSSYSA-N	237.293	4.596	0	10	BJAE	
Cc1cc(Cl)ccc1[C@@H](O)CCC(C)(C)C	235854230	MRNJCMNXMAYDLY-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CC[C@@H](C)OC(=O)Nc1ccccc1[C@H](C)CC	242647552	CQTJOGFCUAXDQI-VXGBXAGGSA-N	249.354	4.547	0	10	BJAE	
CC[C@@H]1[C@H](N)[C@H]2CCCCCCCCCC[C@H]12	251582968	JOAIQQWJTAGQJG-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](CN)c1ccc(C(C)C)cc1	302531367	GPTDQHBAYPLDCX-RHSMWYFYSA-N	247.426	4.535	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)[C@H](C)CC(C)C	302563598	NBDRHIVMCQHEJE-QLFBSQMISA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)[C@@H]1CC1(C)C	305907920	GNIZWWGYHPPRMJ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCCC(C)(C)C)[C@@H](N)c1ccccc1	305910013	HUADPHNVMYQOTN-UKRRQHHQSA-N	233.399	4.539	0	10	BJAE	
O=C(c1csc(Cl)c1)C1CCCCCC1	306806904	LFYYPASEXLMXQV-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCC1CCCCC1	308058847	UUHMVJOURTXYJS-OAHLLOKOSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1CCCCC1	308061070	ZGEGKLHOVZPBNB-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CC1CCC(C[C@H](O)CCC2CCCC2)CC1	310102727	BXWLEGQUYDUFEH-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](C)NC[C@H](C)C1CCCCC1	310239889	IIUNBTFXSJBHOP-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc2ccn(CC3(C)CCCC3)c2c1	310328367	BEKUEAACIKSMJN-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)C2(CC)CC2)cc1	310341002	CTHKKBRVWHMATO-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
CCCNCC1(CCC(C)C)CCC(C)CC1	317160394	JZZJNNLLMAYOAZ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@]1(CCC(C)(C)C)CCC[C@H]1C	317744973	OFRSYDKINSSPMS-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)C(CC)(CC)CNC(C)(C)C	319474086	WXHODAYGGUJBLH-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@H](C)CC)C1(CCC)CC1	320166024	YIVNFFJHHRHJPJ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCC2CCCC2)CC1	328323693	FQOSKHOVDYZRBA-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CC(C)NC[C@@H](C)CCC1CCC(C)(C)CC1	380030780	GIQSPNYLCGZRKS-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCNc1c(F)cccc1F	383204577	ANXMOEGOHKGDSL-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCCCCCC(C)C	383254509	KVNZVJQFNZHKNH-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H]1CCCC[C@H]1C	384533813	MTAADPKEIMJEFD-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccc(Cl)c(F)c1	384616548	PMOKCIVGJBKBJM-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CCCC1(CN[C@@H](CC)C[C@@H](C)CC)CCC1	391885262	ZIUSFAXQXMFXSO-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCOc1c(CC)ccc2c(Cl)csc12	396189428	MAXRHVDNOWCBEH-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1sc2ccc(C(F)F)cc2c1C	396205336	XLALFHNRSVNPQC-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CSc1cc2scc(C(F)F)c2cc1F	396231514	ACZDQGZCLCACHW-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
Cc1c(C(F)(F)F)sc2ccc(S)cc12	396305491	OYFJUKLKLORMOH-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC(C)[C@]1(C)C[C@@H]1N[C@H]1CCCCC12CCCC2	397168605	CXVZGXVUCIIVFI-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H](C)C(C)(C)C	399193167	WVBMLGUITGTEDQ-LBPRGKRZSA-N	232.367	4.675	0	10	BJAE	
CC/C(=C\[C@@H]1CCCC[C@@H]1CC)CNC(C)C	401741859	JPWVZTNKPCSUJV-SROTWBRCSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@@H]1CC=CCC1)NC	402243408	HIMBMQKPHAZJQA-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1cccc(NC[C@@H](C)CC(F)F)c1	688767121	DYYWETCBJWXMEI-NSHDSACASA-N	241.325	4.513	0	10	BJAE	
Cc1cc([C@H](C)N[C@@H](C)CC2CCCC2)c(C)o1	689757917	GNLASEJSDZBJRL-AAEUAGOBSA-N	249.398	4.516	0	10	BJAE	
CCc1cc(NCCC2=CCCCC2)ccc1F	690123578	ZNWYOABHXBAAFW-UHFFFAOYSA-N	247.357	4.691	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@@H]1CCC[C@H](C)C1	691191653	XPDYVXVPQUGNTP-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H](C)CC1CCC1	694617405	HQVMQALITAJTAC-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCc1cc(CC2CCCCC2)ccc1F	694943096	YGQLDRVRQOIXFL-UHFFFAOYSA-N	220.331	4.511	0	10	BJAE	
CCCC[C@@H](CCC)NC1C[C@H]2CC[C@H](C1)C2	697692065	GZNIUECURIBNJY-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)c1cccc(F)c1	697772504	RQZPEPLNOQIENL-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CCC[C@](N)([C@@H]1CCC[C@H](CC)C1)C(C)(C)C	704912670	JCHJDPUNHKGFEC-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@@H]2CCCC23CC3)C1	706955434	GXUMTIZAUUTTCM-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C[C@H]1CCCCC(=O)C1)CC(C)(C)C	709215333	XMRNHHHOYUZLEX-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
Cc1cc(N[C@H](C)c2ccccc2C)cs1	710711986	WIFRQYPQSNXHLA-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)C[C@@H]2CCCC[C@@H]21	712484487	WMQOTSLBUJCZJP-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC)C[C@@H]1CC(C)(C)C	713246855	XSTSXINASMHZDU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]3CCCC[C@@H]32)CCCCC1	714258058	LXVHHICQBIPOPM-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C(=O)CC[C@@H]2C[C@@H]2C2CC2)CC1	714803363	HOLRANDVVQWODF-AHNOJICISA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)c1cccc(F)c1	718523555	BJBIZMYTYRMVRJ-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C(C)(CC)CC	721690314	FGUMJFSFOVNOKR-CYBMUJFWSA-N	226.404	4.988	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H]2C[C@H]2CC)CC1	723126044	CFDPFMKWQNYIGE-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1ccc2sccc2c1	723150219	ZKYVXTRWPDKTMC-GXFFZTMASA-N	244.359	4.520	0	10	BJAE	
Oc1cc(-c2ccccc2C2CC2)ccc1Cl	1243582989	GNHVMEMRDGXLSR-UHFFFAOYSA-N	244.721	4.590	0	10	BJAE	
C[C@@H](CN1CCCCCCCC1)CC(C)(C)C	1559841368	HNWIHCLDAMNDJC-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
C(CNC(C1CCCC1)C1CCCC1)CC1CC1	1654866539	SRBNKFHKNUKXLJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCNCCC=C(C)[C@@H]1CCCC[C@@H]1CC	1880414581	ODALLTKJLNHZTQ-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC(CC)CCC1(O)CCC(C)(C)CC1	1900695315	FVLLKECOZOMUBE-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cc(C)sc1C	1900697820	RHACHLVKDHQDSW-CQSZACIVSA-N	239.428	4.581	0	10	BJAE	
CCCCC[C@](C)(O)S[C@H]1CCC[C@@H](C)C1	1904836399	FCPDVCDBVHHGQR-HZSPNIEDSA-N	244.444	4.587	0	10	BJAE	
Cc1sccc1OC[C@H]1CC[C@H]1C(C)(C)C	1904933904	VLOIMQRBWGAKDI-VXGBXAGGSA-N	238.396	4.508	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1scc(C)c1C	1905441847	AYXBENMGAGJNIX-QWHCGFSZSA-N	239.428	4.581	0	10	BJAE	
CCC[C@@H](CC)CC(C)(C)C[C@@H](C)NCC	1905445082	ORKUKEMNTINCLA-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@]12CCCC[C@@H]1C2	1909881718	HNDYOLKSAPBUNB-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@]12CCCC[C@@H]1C2	1909895452	BEFVVZYHPGDWQE-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@](C)(N)CC1CCCCC1	1910822255	QAUSQSSLLYUTNE-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
C=CC=CCCC[C@H](C)c1ccccc1	1911777456	BEINWSKJGUBKSU-AWEZNQCLSA-N	200.325	4.703	0	10	BJAE	
CCCC1(C=C(CNCC)C2CCCCC2)CC1	1912013947	VGIHJVYABYBXKV-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCNC[C@@]1(CC2CCC(C)(C)CC2)C=CCC1	1916354540	ZRFXMBXHHUWTFJ-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC(C)(C)C)C=CCC1	1916360772	ZQVOECFENHVVLT-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](CC[C@H]1CC1(C)C)NC	1921566572	CAWGASLRIUPYME-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)CC1(C)CCCC1	1924123907	GMOYVRFCFXZRRA-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCc1cc(C[C@H]2C=CCCCC2)cs1	1925880577	WHSJBGTXUCCXBM-LBPRGKRZSA-N	220.381	4.599	0	10	BJAE	
CCCC1([C@H](C[C@@H]2C=CCCCC2)NCC)CC1	1925910083	LKKOOXVREAMGOC-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1cc(Cl)cs1	1928725435	WPDLCTBHHPVYFW-JOYOIKCWSA-N	246.803	4.507	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2C[C@H]3CCC[C@@H]32)n1	1936500561	PIMKNAOVVLQBQW-WHOHXGKFSA-N	235.396	4.560	0	10	BJAE	
CC1(CC(=O)[C@@H]2CCCC2(C)C)CCCCC1	1940384491	FOYDMLXWAYSGRL-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCCC1CCC(N)(CC2CC(C)C2)CC1	1940683213	ONOYPZPPEQGXKV-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H](N)CCCCCC1CC1	1941584681	QDHYZGNBKVFMCN-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@@H](C)CCC(C)C	1942653941	WDQICIVONCXUOI-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H](C)CCC(C)C	1942664271	SAAPNTGRRUOZJO-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CC[C@H](NCCC2(C)CCCCC2)C1	1945433203	YDMDUPAHODNVHW-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)[C@@H]1CCC1(C)C	1945748221	KAGBVNQNHKDADF-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)N[C@H]1CCCC2(CCCC2)C1	1946454333	FSORYDJFMUZVSR-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCC[C@@H]1C(C)C	1947526942	TYPXRWSRFJBTQC-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CC12CCCC2	1948071986	OPVKNNWIWSHGJM-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1	1948594626	AJALVYPLHLWWQA-JJXSEGSLSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@@](C)(O)[C@@H]1CCC2(CCCC2)C1	1949454775	ZLTHYVQSWKXUMO-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
Cc1ccsc1C(=O)[C@@H]1CCC2(CCCC2)C1	1949499066	ZJEZJNYRFSMQNB-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CC1(C)CC[C@@H](CCC2CCCCC2)C[C@H]1N	1949659105	CUQVUVRNFAICQO-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@H]1CCCC(C)(C)CC1	1950913134	DWOSISPXPNNMNF-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
C1CCCC(CN[C@@H]2C[C@@H]3CCCC[C@@H]3C2)CC1	1966045158	BOQCDNLDGNJGPN-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CC3(CCC3)C2)c(F)c1	1968327087	SHKMDOCJOFYQIA-LBPRGKRZSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H](N[C@@H]1CC[C@H]1CC(C)C)c1ccccc1	1969296673	XSCAYSCAZNQXLQ-GVDBMIGSSA-N	245.410	4.552	0	10	BJAE	
CC(C)CCCC(=O)CC1(C)CCCCC1	1978428198	HSPWESZIRLSIFW-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
C[C@@]1(CC[C@@H]2C=CCC2)CCCCC1(F)F	1979996305	JKMIDCFIDTYOEF-OLZOCXBDSA-N	228.326	4.948	0	10	BJAE	
CCc1cnc([C@@H]2CCCCC23CCC3)s1	1981841134	PGVCXDJWRDFZIU-LBPRGKRZSA-N	235.396	4.533	0	10	BJAE	
C/C=C/CCCC(=O)C[C@@H](C)CC(C)(C)C	1984588578	DPKXFDYFKKHBRF-KTRBRXNASA-N	224.388	4.764	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1CCC[C@@H](CC)C1	1984590625	FACUNNZTPUAVNY-JRFBKZHLSA-N	222.372	4.518	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H](C)CC(C)(C)C	1990893910	QDVKOUVUMANTDY-KBPBESRZSA-N	227.436	4.568	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC1(C)CCC1	1995263107	QMKDMHVSEKMTBE-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)C2CCCCCCC2)C1	1996232851	SHECPQBXQNTRDD-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1CC[C@@H](C[C@@H](N)C2CCCCCCC2)C1	1996236551	HAFQUSNRYVTAEX-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC(C)(C)C(F)(F)CC	1996618892	YELRBQMMSOLGMM-LLVKDONJSA-N	249.389	4.602	0	10	BJAE	
C[C@]1(C(=O)CCCCCC2CC2)CC=CCC1	1997607310	TWTGTUHGJGMLAT-INIZCTEOSA-N	234.383	4.662	0	10	BJAE	
CC(C)C[C@H](C)CC1(N)CC(C)(C)C(C)(C)C1	1997766699	OHQHSXCSWOKCKG-ZDUSSCGKSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1ccccc1C(C)(C)C	1998752210	LXDVMIMJUVJYQC-GXTWGEPZSA-N	231.383	4.585	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002198838	ZSTPRLGLWOUJLF-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)CC2(C)CCC2)C1	2003016012	GHCPMRWGRAGBKG-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H]1CC[C@H](C)CC1	2003067500	ULENTLQGASUGND-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2(N)CCCCCCCC2)C1	2003098634	HFKXBAWOQRZODP-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H]2CCCCCCC2=O)C1	2003116548	JJKUQJQSHURZOW-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CCCC1(NCC2(C)CC(C)(C)C2)CCCC1	2003411623	DLBIKHKXOWKVCQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1([C@H](O)CCCC(F)F)CCCCCCC1	2004921942	BQNQNMUGVWULLS-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CC1(C(=O)c2ccccc2)CCCCCCC1	2004936738	DTSGNKKFNFUSOV-UHFFFAOYSA-N	230.351	4.620	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CO)CC1(C)CCCCC1	2005584177	UQPWJZSFYQZSPA-GDBMZVCRSA-N	238.415	4.536	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@H]2CCC[C@@H]2C)CC1	2006770181	CVWZSHZAYWMLSJ-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)C1(C)CCC2(CC2)CC1	2007682450	ZSDKVSOPEZGOCV-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@]1(N)C[C@@H](C)CCC1=C(C)C	2009574955	YFZZNQKEUBRRPM-NCVJHSOJSA-N	235.415	4.587	0	10	BJAE	
C/C=C/CCCNc1cccc(C2CCC2)c1	2009594380	FWOULBMXJPPKFF-NSCUHMNNSA-N	229.367	4.722	0	10	BJAE	
CC=CCCC[C@@H]1CCCCCCCC[C@@H]1N	2009619525	MLNTZQMIYXAOJL-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CCCCC1CC(O)([C@@H]2CCCC(C)(C)C2)C1	2009718484	YTFXCMDCPQHCKU-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CC(=O)CC(C)(C)C1	2012083011	GAVNOCDSURELQV-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](CCC(C)C)NCC1CCCCCC1	2013266380	GJOHROYTUJUNRX-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@H]1CCC[C@H](C)C1	2013274791	UKMFZWTWSHLVNB-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CCCC1(C[C@H](N)CC2CC(C)(C)C2)CCC1	2015641447	FIKOUIVQDCQPTK-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(=O)C1(CC2CC2)CCC1)C(C)(C)C	2015740282	JWFDWRSMUJOPDH-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(C[C@H]2CCCCCC[C@@H]2O)CCC1	2017117287	UCNQGDVWGOKBPR-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)C[C@H]1CCCCCCCC[C@H]1O	2017428473	ALKNXBUDVWVHHL-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](NC)C(C)=C(C)C)CC1	2017654554	FJVZNLXZJKDKLB-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC[C@@H](N)C2)CC1	2017736454	YCFWEMXISTUYKS-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](c2nc(C3(C)CC3)cs2)C1	2018302352	NONHYZBNRURIDY-GDNZZTSVSA-N	249.423	4.734	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@]12CCCC[C@H]1C2	2018633268	VBTWUUKBZQQTEK-IJEWVQPXSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCCC[C@H]2CC)CC1	2018923811	HDURRYAZCDFMGD-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCN([C@H](C)CCC(C)C)[C@@H]1CCCC1(C)C	2022049659	OGFOPUMSCPLTCK-HUUCEWRRSA-N	239.447	4.712	0	10	BJAE	
CCCCCC(=O)[C@H]1C[C@H]1C1CCCCCC1	2022417429	MPRKSGKNHVZKOB-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
O=C(C[C@H]1C[C@H]1C1CCCCC1)c1cccs1	2022555145	VABBDPXKLQMSCK-OLZOCXBDSA-N	248.391	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@H]2CCCC(C)(C)C2)C1	2024100374	BZLAGOSOWZWZFA-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](CCC[C@H](O)C(C)(C)C)C1	2024120580	XJOGLWYQXSKVRJ-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCC)c1ccco1	2026171157	UNZRTAFAPAHYSD-KBPBESRZSA-N	237.387	4.537	0	10	BJAE	
c1sc([C@H]2CCCCC23CC3)nc1C1CCC1	2026539160	ZSWQBERYPXASNW-GFCCVEGCSA-N	247.407	4.848	0	10	BJAE	
CCc1ccc(C(=O)CCC[C@@H]2CC2(C)C)cc1	2027842533	JFUGWUFXPRPPII-OAHLLOKOSA-N	244.378	4.648	0	10	BJAE	
CC1([C@H](O)c2cccc(C3CC3)c2)CCCCC1	2028551484	GPZCGHRHNOYUAI-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CC[C@@H](NCCC1CCCCCC1)c1ccco1	2028789762	UCCXYEHIKNYWOJ-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@H]1NCC1CCC=CCC1	2028893087	WHONWUPDCJAIRK-SJORKVTESA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)c1cc(C)ccc1C	2029966116	GECJZUQAIBDFNF-CJNGLKHVSA-N	247.426	4.780	0	10	BJAE	
CC1(C)C[C@H](Nc2cccc(F)c2)CC2(CC2)C1	2030285550	ALUAQIIXMWGGSI-AWEZNQCLSA-N	247.357	4.597	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C1(N)CCC2(CCC2)CC1	2032251282	JWFHZYOVNLSGRF-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNc1ccccc1C(C)(C)C	2032514796	OOQLOTKWMYZKGO-UONOGXRCSA-N	245.410	4.832	0	10	BJAE	
C[C@H]1CNC2(CCCC2)[C@H]1CC1CCCCCC1	2033534894	LOYNBABRLVTADD-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@H]2C=CCCC2)cc1	2035595136	WTJXIOJPZBDPCW-WMLDXEAASA-N	244.378	4.590	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC)(C[C@H]2C=CCCC2)C1	2035601444	PBWUEJIXIVPTNO-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccccc1C(=O)CC1CC2(CC2)C1	2036758992	UDZVDOPYWLBYHC-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
C[C@@H](C[C@@H]1CNC2(CCCC2)C1)C1CCCCC1	2037729526	ILAVTBCBUHWBQQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1=CCCC1)CC1CCCC1	2038111302	ZLOKYVKLFAZHLC-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]21)C1(C)CCCCC1	2039860661	XNWYACVPTDVFOF-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@H]1CC[C@H]2CC[C@H]1C2)C1(C)CCCCC1	2039862369	NJCQOBNJXCKNFY-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@]1(C)CC=CCC1	2042027819	QSFKPEXFAZKXJR-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CC(=O)CCC1CCC1	2042745561	WJCYHKOWYZBEMH-OFQRWUPVSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C[C@H]1CCC=CCCC1)C1(C)CC(C)C1	2045320445	MVZSGUMXKBSUBG-YZUHTNEWSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](N2CCC3(CCCCCC3)C2)C1	2045519709	DOOMOHYLHDSJGO-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H](c1ccccc1)C(C)C	2045673207	DJUQBGLKVCKBAC-WMLDXEAASA-N	246.394	4.822	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CCC1=CCCCC1	2045680019	CUIBIEYRXOUYLO-PBHICJAKSA-N	246.394	4.829	0	10	BJAE	
N[C@@H](CCC1CCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048366468	QOASAQNNJJVILN-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@H]1[C@H]2CCCCC[C@H]21)CC1CCCC1	2048466331	WNTMUWCYMPGJSW-BJWYYQGGSA-N	248.410	4.742	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CC=CCC1	2048468597	IZPKSFRWKRSTBF-WBTNSWJXSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@H]1CCCC2(CC2)C1	2049855901	MZZCOMFAVPRSAL-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H]1C[C@H](C[C@@H]2CC=CCC2)C[C@@H](C)C1	2055016327	MBKZWVCXVQVLMO-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(C[C@]2(CNC(C)C)CC=CCC2)C1	2056640241	NKIAGUURNWQDMB-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CC1CC(C2CCC2)C1	2056650975	MBSDDJVIXFKNNX-MHVXSEJMSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C2CC(C3CCC3)C2)CC1	2057487699	AJBYZXBQPOZKOL-MFNRNEDNSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(Nc2ccccc2C(C)(C)C)C1	2058830545	YTUUGVCXGMOULL-UHFFFAOYSA-N	245.410	4.975	0	10	BJAE	
C/C=C/CCC[C@H](NC)C1CC2(CCCCC2)C1	2059248110	YPQHWSYVIPMSTO-CWDCEQMOSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC=C([C@@]2(N)CCCC23CCCCC3)CC1	2060905982	NHOFLOVAVWBQOK-YOEHRIQHSA-N	247.426	4.565	0	10	BJAE	
CCC1(C)CC([C@@H](N)C2=CC[C@H](C(C)C)CC2)C1	2061149166	AQDMVZLKWPOCMX-PXZKZTPFSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCCCC[C@H]1NC1CC(=C2CCC2)C1	2061255446	BBCRWYYCTBHUSC-MRXNPFEDSA-N	247.426	4.578	0	10	BJAE	
CN[C@H](CCC1CCCC1)CC[C@@]12CCC[C@H]1C2	2061625861	GQPMBGCGOUREJG-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](C)(CNCC)CC1CC(=C2CCC2)C1	2061738584	DQDGDJSZNJVFKX-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C/C=C/CCCN[C@H](CC)c1ccc(CC)cc1	2062372081	NAYPIJQPQZIFAZ-BBOMDTFKSA-N	245.410	4.646	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@]1(N)CCC2(CCCCC2)C1	2062650824	GSXZBSJNDKNMSW-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC1(N)C[C@@H]2CCCCC[C@H]2C1	2062654438	ZYRBAEITJQKIIS-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1=O	2063427474	NJGNKJNZEMCPKL-TUVASFSCSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CC23CCC(CC2)C3)C1	2065276243	BLTYWXAWESCXKW-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@]3(C)C[C@@H]23)cc1	2065658428	SOTRQAUDOUSMNT-GVDBMIGSSA-N	243.394	4.630	0	10	BJAE	
CCC[C@H]1C[C@@H]1NC(C1CCCC1)C1CCCC1	2065933995	SXWZFINJVGEQMC-HOTGVXAUSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NCC12CCCC1CCC2)C1(C)CCCC1	2067519364	FOQOYDXQZCQMEA-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)CC12CCC(CC1)CC2	2068276851	UWPRIASHGMTZBW-BYLPVYNFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)c1ccc(C)c(C)c1	2068846032	WWFOHHAIBVWAHQ-WMLDXEAASA-N	247.426	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@H]2CC23CCC3)CC1	2069194000	QDIFZVBHCIQXRQ-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C[C@@H]1C[C@H]1CC	2071505647	POMPSTFHLRBFAK-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(C[C@]2(CN)CCCC23CCC3)CCC1	2071942551	FRNQOZNPLLLEMT-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@]2(C)C=CCC2)CC1	2072795014	ZUPSJMJLRJUUML-BHUNQDJPSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H]2CCCC=C2C)CC1	2072803024	DDWHZIOKIXCXHQ-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H]2C=C(C)CCC2)CC1	2072803975	NOOGRERUORXZEU-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC1(C[C@H](NC)C2(C)CCC3(CC3)CC2)CC1	2074633582	FNOZTXFPUPTFDQ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C1CC(C)(C)C1)N(C)[C@H](C)c1ccccc1	2074794269	HNXJRVFDQZTWJQ-KGLIPLIRSA-N	245.410	4.504	0	10	BJAE	
C[C@H](CCC1CC1)Nc1ccccc1C1CCC1	2077262893	ZUWCMBXIOBLKKT-CYBMUJFWSA-N	243.394	4.945	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@H](C)C2CCC2)o1	2077986691	MXYUFFCLBKWXRE-GFCCVEGCSA-N	248.366	4.631	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@@H]1C1CC1)C1CCCCC1	2079331125	BVPMQDBFYDORQR-DZGCQCFKSA-N	248.410	4.598	0	10	BJAE	
C1CCCC([C@H]2C[C@@H]2NCCCC2CCC2)CC1	2079529866	MSUOSDONIUQIET-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@@H]2CCC3(CC3)C2)C1	2082975791	LTAAKIWBJIUTBE-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
C[C@H]([C@H](N)c1cccc(C(C)(C)C)c1)C(C)(C)C	2083543102	DMQPMRCUONOAHH-DOMZBBRYSA-N	247.426	4.666	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cccc(C(C)(C)C)c1	2083551406	YDRXYWNLNIBILV-CZUORRHYSA-N	248.410	4.844	0	10	BJAE	
CCC[C@@H](C)NCCCCCCCC1CC1	2212460949	GQRXSKSAWCNYJX-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC(C)C[C@H](CN)CCCCCCCC1CC1	2213574032	NXYKDSCQROKXBT-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCCCC1CC1)NCC	2214576085	AGTGJCXIVGXODW-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CC[C@@]1(N)CCC[C@H](C(C)(C)C)C1	2216253541	SMYJEPZSAIFTEK-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCCCC(F)F	2216432669	GBFOEYPDEDKRFM-QWHCGFSZSA-N	249.389	4.746	0	10	BJAE	
C[C@@H]1C[C@]1(C)[C@H](N)CCCCCCCC1CC1	2216875869	VNOKKXIADLMIQX-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CCCCCCCC1CC1)C1CC1	2216884389	VEMJZOBLOYOSPK-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CNC1CCC1)C(C)(C)C	2217155766	FNCIUZQQIMGQDP-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1C[C@H]2CCC[C@H](C2)C1	2218332083	GNLHXXZATSQADA-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1C[C@H]1CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218336112	RQCAEPZVPPNQAE-XFIYOXNOSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C12CCC(CC1)C2	2218721654	UKZUUGRPYHFQFS-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCN(CCCCCCC2CC2)C2(CC2)C1	2218749586	JPOHWFXTLYQTMY-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1CCC(C2CC2)CC1	2218897481	WSDHTSRPALIOHK-LYAPFXNSSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](CC=Cc1ccccc1)NC	2219087421	XQYMBSHEKJLWKP-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
C1=C[C@@H](Cc2ccnc3ccccc23)CCCC1	2220333427	XFCDFKANAKBEOH-CQSZACIVSA-N	237.346	4.524	0	10	BJAE	
CC1=CC[C@H](N[C@H](C)C2CCC(C)(C)CC2)CC1	2221656377	YPFGBBBVKWDVLZ-ZBFHGGJFSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](NC)c1c(C)cccc1C	2221998490	XBQWUJDFOUBJOY-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H](CNC1CCC1)[C@H]1CCC2(CCCC2)C1	2223548788	RGEQXPOTHQGREM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CCC2)CCCC12CCC2	2223588393	HCRGNWWLHMWEGS-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1(C)CC(C)C1	2242707243	OVZWOAQSQQZZNP-OWYJLGKBSA-N	224.388	4.598	0	10	BJAE	
CC1CC(C)(CC(=O)[C@@H]2CCCC(C)(C)C2)C1	2246523077	NYXMVOZGBXMDDR-MFOWVQHXSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1CCCCC12CC2	2246616869	GWJIKYDCELBSGT-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)[C@](C)(O)CC[C@@H]1CCCCC12CC2	2246641668	GZENRAMSMUWLDH-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CC[C@H]1CCC[C@@H](C)C1	2246661467	AGLRYFPKWDPJJH-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(O)CCCCCCC1	2247111233	CSZIZFFHHDBDCC-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CCC(CC)(CC)C(=O)CCCC[C@H]1C[C@H]1C	2247168858	BAHMKXYNAFFTPX-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC[C@H]1CCCC12CC2	2247619974	QZPNESZHNRXWAX-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@H](N)c1cc(C)c2sccc2c1	2248562280	CCFRLCPSTJYFMH-CQSZACIVSA-N	247.407	4.646	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1CCC[C@H]1C	2248813678	HERGDBVZVAHNPX-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCNc1cc(C)c(C)c(C)c1	2249491939	XZSUABJFQHSMMS-UHFFFAOYSA-N	233.399	4.850	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1(CCC)CC1)NCC	2250372516	PTCXZFRLJZOGKT-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H]1C=CCCC1)NCC	2250373307	UAYNIEZKIQGRNX-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@]1(CO)CC1(C)C	2250487425	AVGYCTIOFDYVNG-GDBMZVCRSA-N	240.431	4.638	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(N)CC[C@H](C)C1	2250513763	JRGQKJYQSTWRST-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H]1CCNC1(C)C	2250529553	QOGUHBWHZDBMCS-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1ccc2ccsc2c1	2253053435	IPQYWLGTXTVPML-ABAIWWIYSA-N	247.407	4.727	0	10	BJAE	
C[C@@H]1CC[C@](C)(NCC[C@@H]2CCCCC23CC3)C1	2253891498	QAYSCQDIEYCUKQ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C1	2253938747	NSTWOXVKDZYINV-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(CN)CC23CCCC3)C1	2253939668	UWAJFROOWHPLHU-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CC2CC3(CCCC3)C2)[C@H](C)C1	2254041028	HGAGSJIMIRSWEF-GUTXKFCHSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@](CN)(CC2CC3(CCCC3)C2)C1	2254058285	LYLTZPGKRKZXHU-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
C[C@@H](NCC[C@@H]1CCCC12CC2)C1CCCCC1	2255231896	DANLKZSYZWMIOJ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C1(CC2CC2)CC1	2257244885	GAJYHLYRFSZQMR-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@H]2C(C)C)cc(C)c1C	2258235196	GKEUKMNULUVIJA-IRXDYDNUSA-N	245.410	4.848	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1ccccc1C1(C)CC1	2259449564	WHZFFILFCFFVDU-CJNGLKHVSA-N	246.394	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cc2cccc(C)c2o1	2259461697	ATTCVXYTZDGGKW-DOMZBBRYSA-N	245.366	4.567	0	10	BJAE	
CCC(CC)CC[C@]1(O)CC[C@H]2CCCC[C@@H]21	2300683167	GVYLXFVHKHJVLH-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC1(O)CC2(CCCCC2)C1	2300688312	LYHVWOXRSYFPFK-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)CCC[C@H](O)c1ccc(C)cc1	2300706203	NELSAJBWACQIDI-INIZCTEOSA-N	234.383	4.635	0	10	BJAE	
CCCNC[C@@](CC)(CC=C(C)CC)C(C)C	2300861331	QTSKCYLANHQDEI-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CC(C)(C[C@@H](O)CC1CCCCCC1)C1CC1	2301200198	CADQEHDRNOYWFP-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CSCC[C@H](C)Nc1ccc(C2CCC2)cc1	2301882094	OZLKAITVVBISQT-LBPRGKRZSA-N	249.423	4.508	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(N)CC[C@H]1CCC[C@@H](C)C1	2301941862	LZHAXBOTJHOFLM-QXSJWSMHSA-N	239.447	4.602	0	10	BJAE	
CCc1cc(N[C@H](C)[C@@H](C)C(C)C)ccc1C	2301960272	AFNHCFBGMHPOHZ-UONOGXRCSA-N	233.399	4.650	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@@H](C)[C@@H](C)C(C)C	2301962789	WLGLPBXEGKTEOA-CAOSSQGBSA-N	241.463	4.704	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC(=O)CC1(C)CC(C)(C)C1	2302612114	VHZICUDOWFCYDL-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H]2CCC(C)(C)C2)C1	2302766663	YBPDQWMSUUQESO-VEAWUBTESA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)C[C@H]1CCC(C)(C)C1	2302899435	ORCRNRKCMFFOEN-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCC(C)=C(C)C1	2303459602	SWDBTLSMXFPZKW-VBNZEHGJSA-N	237.431	4.680	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC[C@H]1CCC(C)(C)C1	2304420981	SDQSGFMIGUAMPO-KGLIPLIRSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCNC2(CCCC2)C1	2307829776	WZLASSFGNSJOSV-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CN)CCCCC1(C)C	2307909476	USBJOBJFTGZESF-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CNC1CCC1)C(C)C	2307925542	UHAGRGPFUYKEQF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C[C@H]2CCC[C@@H]3C[C@H]23)C1	2309962961	DHQJGGVDDHFOOR-DRXUAVOGSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@]2(C(=O)CCCCCCCC3CC3)C[C@H]12	2312595747	QIALPWHUGHEESW-LXZKKBNFSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C[C@@]12CCCC[C@@H]1CC2)C1(C)CC1	2313324440	UREUUSQZHRDTDN-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@@H](C[C@@]23CCC[C@@H]2CC3)C1	2313345641	CTMSJFRKOYCMSP-HWMZRRJGSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(N)(C(CC2CC2)CC2CC2)CC1	2313686672	OPYXFRAFMGWWDZ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C(=O)C(CC2CC2)CC2CC2)CCC1	2313692288	MRSJGCFKHCCIRB-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(CC(N)(CC2CC2)CC2CC2)CCC1	2315444955	FPJBQCDFTFQTQU-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(=CC[C@H](N)C[C@@H]1CC12CC2)CCCC(C)C	2316578823	JOBSBGIKRMGBQW-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
Cc1cc2ccccc2n1CC1CCCCCC1	2316938169	OZOLZZMPPIEYHF-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
C[C@H]1C[C@]1(CNC1CCC1)CC1CCCCCC1	2317000318	BIDHDQSMQIUBOB-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
O=C(CCCC1CC1)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317119944	ATPZRJCVKIBXLT-BZUAXINKSA-N	246.394	4.518	0	10	BJAE	
CCCOc1cccc(N[C@@H](C)[C@@H](C)C(C)C)c1	2317945595	SOENNSWZWZCSRI-KBPBESRZSA-N	249.398	4.568	0	10	BJAE	
Cc1ccc2ccn(C[C@@H]3CCC(C)(C)C3)c2c1	2319325217	DBABMUHCBSWMML-CQSZACIVSA-N	241.378	4.776	0	10	BJAE	
CC1(C[C@H](N)CC[C@@H]2CC[C@H]2C2CC2)CCCC1	2319734841	SHJNPKVTOIKOSN-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)CCC1=CCCCC1	2320155522	YPNXVPYUWBXKNN-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)C[C@@H]2C[C@H]2CC)cc1	2320378511	WGMQIKYDHNVLGF-OMNBBPDLSA-N	246.394	4.670	0	10	BJAE	
CC1=C(C)C[C@@H](NC2CC(C)(C)C(C)(C)C2)CC1	2320407077	WWKKGPQRQWGRBD-AWEZNQCLSA-N	249.442	4.680	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@H](C)C(C)(C)C)c1	2327704056	QHWZJKCBWWXTRN-XJKSGUPXSA-N	247.426	4.800	0	10	BJAE	
CCC[C@@H](CC)CN1CCCC[C@@H]1c1ccco1	2328273697	CYUQVQCNKHVVHW-HUUCEWRRSA-N	249.398	4.633	0	10	BJAE	
CC(C)CCCCCCN[C@@H]1CCCC[C@@H]1C	20002175	UFHOQQTWEKTGEE-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1cccc2c1CCCC2	21507915	RIKODACBRPVBCI-CZUORRHYSA-N	243.394	4.556	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccc(C)c(Cl)c2)o1	21806402	RMWQPMXLVKGFQB-LLVKDONJSA-N	249.741	4.723	0	10	BJAE	
CCCC[C@H](C)N[C@@H](CC)c1ccc(C)cc1	37295949	UYSIHLUKEIERAC-HOCLYGCPSA-N	233.399	4.614	0	10	BJAE	
CCCN[C@H](CCC(C)C)c1csc(C)c1	83451595	UMXKWYUKMUNKHS-CQSZACIVSA-N	239.428	4.533	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NC[C@H]2CC=CCC2)CC1	86945911	YLFUZEJHOKVLJS-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1ccc(C(C)(C)C)cc1	87176045	IIVWMLBCNIDUQF-CZUORRHYSA-N	248.410	4.844	0	10	BJAE	
CCCCCC(CCCCC)NCCC1CC1	88454331	ZHIJVCDZHCVSGS-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(OC)cc1C	103978920	LREGNSGPHVKXMZ-CQSZACIVSA-N	249.398	4.774	0	10	BJAE	
CCCC(=O)c1cc(C(C)(C)C)ccc1Cl	107998831	CVFRVCOOXONUFD-UHFFFAOYSA-N	238.758	4.620	0	10	BJAE	
CCCC[C@@H](N[C@@H]1CCC[C@@H]1C)c1ccccc1	109963764	FGTGFQRFCGCLIG-USXIJHARSA-N	245.410	4.696	0	10	BJAE	
Cc1cc(C)c([C@H](O)CCC2CCCC2)cc1C	125400642	CEUWUGOKHWTXCE-QGZVFWFLSA-N	246.394	4.616	0	10	BJAE	
CNC/C(=C/[C@@H]1CCC[C@@H](C)C1)C1CCCCC1	125528121	SKUQORXFEMYKHN-AZYZYFAASA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)c1ccc(C)s1	126807919	GFEAZIJKROZNHH-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCCc1cccc([C@@H](O)C[C@@H](C)C(C)(C)C)c1	159832107	SFUDBDQACYFZIJ-CJNGLKHVSA-N	248.410	4.745	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CCC1CCCC1	165797178	QZARAAIVADQLHJ-LSDHHAIUSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C)C[C@H](N)c1c(C)ccc2ccccc12	167364163	LZRQAUMFCKWLFN-WBMJQRKESA-N	241.378	4.584	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)c2ccccc2C2CCC2)C1	168877125	OMBGLAJIMAAJGQ-TZMCWYRMSA-N	242.362	4.573	0	10	BJAE	
C[C@H]1[C@@H](C)[C@H](C)P(C2CCCCC2)[C@@H]1C	201085669	VZYURRCPXXPWFV-YNIREKDCSA-N	226.344	4.864	0	10	BJAE	
CC(C)=CCCC1=Cc2occ(C)c2CC1	206772649	YOWQXCKVWMMQNS-UHFFFAOYSA-N	216.324	4.664	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](C)c1ccc(C)c(C)c1	212524968	BGLNHZSOICZSBB-RDJZCZTQSA-N	247.426	4.575	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@@H]1CCCC1(C)C	226819290	TYABWVNLSTXTOK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC)[C@@H]1CCC[C@@H](CC)C1	227005785	VXOJEIYDJNWCIP-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](c1ccccc1)C(C)(C)C	233288149	YUOKVAVNEFRSCI-CVEARBPZSA-N	247.426	4.942	0	10	BJAE	
CCC[C@H](C)[C@@H](CNC(C)(C)C)c1ccccc1	233346842	INHOSTANTUENFM-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H]1CC[C@H](NC2CCCCCCC2)[C@H]1C	251601352	KKWBYHLWHNEBCF-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](CCC(C)(C)C)NC	302244988	AEVJKRKNVQLMLH-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(C(C)C)cc1	304222977	WOHSDPQQLYEWRC-CYBMUJFWSA-N	232.367	4.819	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1ccc(C(C)(C)C)cc1	305968339	PLWMZUJPFGCBIH-XJKSGUPXSA-N	248.410	4.700	0	10	BJAE	
CCCC[C@H](C)[C@H](NC)[C@@H]1CCCC[C@H]1CC	306042584	SEFUZSAFESTJCF-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(N[C@H]2CCCC[C@@H]2CC)ccc1C	306044876	SSOLMOMYZODXLW-YOEHRIQHSA-N	245.410	4.938	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1cccc(C)c1C	308050018	AMKLISKSINBYSD-HNNXBMFYSA-N	246.394	4.949	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CCC1=CCCCC1	308079924	YXDAFCRKWCNLLB-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC(C)/C(=C/[C@@H](C)C(C)(C)C)CNC(C)(C)C	310173228	QIBASAVQAHZFMN-PCRWRXJSSA-N	239.447	4.639	0	10	BJAE	
CC1(C)CCC(CNC(C)(C)C(C)(C)C)CC1	310444334	TZZOMWZWLWTNDZ-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc2[nH]c3c(c2c1)CCC31CCCCC1	313030318	IJXSUQVFRISOOM-UHFFFAOYSA-N	239.362	4.624	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCCC12CCCCC2	313042897	MFPSBXSYKHWANW-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CN[C@H]1CCCC12CCCCC2	313098794	FYEOKKMCXRYSHD-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](Nc1cc(C)cc(C)c1)c1ccsc1	382071655	CIINMCGXHZUBLD-HNNXBMFYSA-N	245.391	4.928	0	10	BJAE	
CCCc1ccccc1[C@H](CCC(C)C)NCC	384697105	YFRXLJYMQOVPQD-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H]1C[C@H]1CC(C)C	388246692	SEOKCZDFXIBQMJ-OAGGEKHMSA-N	239.447	4.602	0	10	BJAE	
CCOc1ccc(CC)c2cc(Cl)sc12	396188275	KANHESKYPYBFLT-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CSc1c(C(F)F)cc2ccsc2c1F	396234049	FQWKRPVPQHHKGH-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CSc1sc2ccc(C(F)F)cc2c1F	396237374	JCQYLTLQDJRGBC-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CCc1c(C)cc2sccc2c1C(F)F	396249142	QBQBHDPLBZUEPG-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
C[C@@H](C[C@@H](O)C1CCCCCCC1)C1CCC1	398632766	SHXMZIZOLZKEPC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1cc(C)cc(C)c1	401596509	WCRDOZRGUHHLJV-CVEARBPZSA-N	245.410	4.932	0	10	BJAE	
CCCCC[C@@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NCC	402237005	BINIWSLXYJAIBS-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc(C(=O)CC(C)(C)C2CC2)cc1	405775767	BMVHCTQIGUYMED-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCc1ccccc1C(=O)CC(C)(C)C1CC1	405826166	RDQUMYDKIIKDAY-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CCC[C@](O)(CCC(C)(C)C2CC2)C1	406057403	KWJOHAIANPHWHM-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)[C@@H](NC)c1cccc(C(C)C)c1	688939003	NIAKVQQADRJAMK-MRXNPFEDSA-N	233.399	4.507	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1cscc1C	691037487	IWMBVYAONACQSD-STQMWFEESA-N	237.412	4.827	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H](C)CC2CCCCC2)C1	694718450	FKISOHWESQFAPW-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCCC[C@H]1C1CC1	696104308	LFYYDJLAFGVXFG-LSDHHAIUSA-N	247.357	4.515	0	10	BJAE	
CCN[C@@H](C[C@H]1CC=CCC1)CC(C)(C)CC	696250850	WPJSLTAIDDWNKQ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1cccc(C(=O)CC2CCCC2)c1	701565468	VERNNXXVQVRMDV-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CNCCC)C[C@H]1C	703315100	AEUJRYYCQGKOHL-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCCOc1cccc2sccc12	705030079	QEAVZJZVBAJVKZ-UHFFFAOYSA-N	232.348	4.636	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@H](C)CC(C)(C)C	708253634	GQFNPFXCLGSVEO-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)N[C@H]1C[C@@H](C)CC(C)(C)C1	708312389	VSAYLUMHJHIRTQ-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(O)C[C@@H](C)C(C)(C)C	710736380	JRFSPEYCDYRGMR-WWGRRREGSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C[C@@H](N)c1ccc(C)c(C)c1)C(C)(C)C	711053335	MFDIOGNVQZAFES-JKSUJKDBSA-N	247.426	4.766	0	10	BJAE	
C[C@@H](Cn1ccc2c(Cl)cccc21)C(C)(C)C	711151212	LMFAMLBQDSRDCK-NSHDSACASA-N	249.785	4.977	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CC(C)(C)CC[C@@H]2C)c1	713069120	WYDXQJFNLGGAAR-SWLSCSKDSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC(C)(C)C(C)C)CC1	713147215	GDQQXVMMQFKURB-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CC(C)(C)C(C)C)C(C)(C)C(C)(C)C	713209500	BFEWMIZQDNOCMK-CYBMUJFWSA-N	241.463	4.719	0	10	BJAE	
C=C/C=C/CC[C@]1(CNCC(C)C)CCC[C@@H]1C	713745107	JXYZJXCKZFOWOZ-YMPXZSTISA-N	249.442	4.561	0	10	BJAE	
C=C/C=C/CC[C@@H](CCC1CCCC1)NCCC	713766311	YRHGZDRYEGUMAJ-RTRPANQVSA-N	249.442	4.847	0	10	BJAE	
C/C=C/C[C@H](C)c1ccc(C(C)C)cc1	714528336	VYMSLROOPDSOKH-GFUIURDCSA-N	202.341	4.880	0	10	BJAE	
CC(C)=C(C)CCOc1cc(F)ccc1Cl	718592750	HTJKWGQIHQUGHB-UHFFFAOYSA-N	242.721	4.604	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCCC(C)(F)F)C1	718708391	CSGOJLBBYZQQGL-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCCCC[C@@H](CCCC(C)(F)F)NCCC	718721970	KQZSLTPSPJXIHN-ZDUSSCGKSA-N	249.389	4.760	0	10	BJAE	
C[C@@H]1CC[C@H](NC[C@H]2CCC=CCCC2)[C@H](C)C1	1308975313	TTYZLOHFCJJGRF-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CCCNC1(C2CCCCC2)CC1	1648570897	VPGSVEVSDMWKEF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@H](C)CC(C)C	1900595365	XSNPOQREWOWLCU-HUUCEWRRSA-N	227.436	4.602	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCC[C@@H]1CC	1900701268	LDQUDLHUMHUSKZ-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CCC(C)(C)C)NC	1905449067	ZSLZIAZCXXQHHE-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@](N)(CCC)C1CCC1	1905454253	PZVKHQYFEQXQHD-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)C(CC)CC	1908573680	XNACMDJOTJBHLX-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H]1CCCCCCCCC1=O	1913409534	DGCWCVAHZATDLC-RRFJBIMHSA-N	238.415	4.988	0	10	BJAE	
CCCNC[C@]1(CC(C)(C)CC)C=CCCC1	1916602053	HSINIFUZHQPLGC-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CC1CCC=CCC1	1919972448	CSOWCNDWSRUBNT-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1CC(C(C)C)C1	1921266823	QRZXPUGSJYSSBN-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C(=O)CC1CC(C)(C)C1)C1CCCCC1	1924085313	CUOBWSKHPUNQSV-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
Fc1ccccc1CC[C@@H]1C=CCCCC1	1925813537	AUQRLPJXZPZMNW-CYBMUJFWSA-N	218.315	4.505	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1csc(CC)c1	1936755795	CXXPVONLGWSGHD-BXUZGUMPSA-N	240.412	4.560	0	10	BJAE	
CCCC[C@H](N)CC[C@H](C)C1CCCCC1	1939114542	YXPBGFASUXWYJS-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C1(C)C(C)(C)C1(C)C	1940280691	STPNENSPNKRUAK-CYBMUJFWSA-N	237.431	4.523	0	10	BJAE	
CCC[C@H](CNC(C)C)CC1(C)CCCCC1	1940404861	CJQWYCJRTYLPAO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@](N)(CC2(C)CCCCC2)C1	1940408188	SFQLVMUGCRDAFQ-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CC1(C)C)C(C)(C)CC	1940852096	BRQZXJMEFKPXHW-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](NCCCC1(C)CC1)C1CCCCC1	1940874118	TZMPSNVAXNVFBB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H]1CCC[C@@H]1CCCCCC1CC1	1941687187	HQWFKQYRURTIAW-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)CC1CCC=CCC1	1941826879	TYHMVSVGLPMITD-CQSZACIVSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@H](N)CC1CCC(C(C)(C)C)CC1	1948425059	IZJGJWDDQNEKKO-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)C[C@H](N)[C@@H]1CCC2(CCCC2)C1	1949536356	ZQMYFRIEDAOPBH-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CCC(C)C)CCC1(C)C	1949651686	BPEPYCONNOEVSA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@@H]1CC12CCCCC2	1950665311	OIPSOGFWPOPCSM-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C(=O)c2sccc2Cl)CCC1	1959883086	KLKIEOSYCUCWSL-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNC1(C)CCCCCC1	1963072811	YZRIQAZVODBUCX-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1CCC2(CCC2)CC1	1968858855	HGGNBOTZCTWFOM-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc(NCC[C@@H]2CCC[C@@H](C)C2)c1F	1969469940	HVNLOXQDONHNST-OCCSQVGLSA-N	249.373	4.762	0	10	BJAE	
CC[C@H](N[C@H]1CCCC2(CCC2)C1)[C@@H]1CC1(C)C	1972536475	VUMPINHQYRDWTO-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCCC(C)(C)C1	1980273335	CTLOBEDRCOWPGA-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)CC[C@@H]1CCCCCCC[C@H]1O	1980351745	QJPYCHGNFGJFLX-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CC(C)(C)C(C)C	1988795572	VFJKVMNTNGQMCF-OAHLLOKOSA-N	226.404	4.556	0	10	BJAE	
CCCCCSCCCCCCCCCO	1988839782	FYQJUMGKNRFUCG-UHFFFAOYSA-N	246.460	4.633	0	10	BJAE	
CC[C@@H](CC(=O)CC1(CC)CC1)C(C)(C)C	1990599709	MVUNOUZZEOCBGA-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](C)CNc1cc(Cl)c(F)cc1C	1995048016	MGQCJFIJYCVWSU-SECBINFHSA-N	243.753	4.636	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)C(C)(CC)CC	1995262503	NWSQJUIFAZTKIH-KGLIPLIRSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CC1(CC)CC1	1995263281	RACHXCKXWHCDMS-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](N)CC[C@@H](C)CCCC	1995264676	WHNOBQFBDVVHIC-UNCXAERMSA-N	225.420	4.667	0	10	BJAE	
CC1([C@@](C)(N)CC2CCCCC2)CCCCC1	1995986417	OBPOPXOPKBGMID-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
Cc1cccc(N[C@H](C)C2CCC(C)CC2)c1	1996545771	CBUOLCJIFKQUNP-HNFVBEJKSA-N	231.383	4.622	0	10	BJAE	
CCCSc1ccccc1NC[C@H](C)C1CC1	1996569305	HTXIHLFJSDPCMU-LBPRGKRZSA-N	249.423	4.647	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H](C)CC(C)(C)C	1998388020	WVRKHPAGNWAXEI-KBPBESRZSA-N	237.431	4.680	0	10	BJAE	
Cc1cscc1[C@H](N)C[C@@H]1CCC=CCCC1	1999991755	RXEVITXVYTVPHX-UKRRQHHQSA-N	249.423	4.583	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCC=CCCC1)C(C)C	2000000151	ZQKICRHQXDJQPW-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCC(=O)c1ccc(C(F)F)cc1	2000190849	UHVWCNAUJOCJJV-UHFFFAOYSA-N	240.293	4.633	0	10	BJAE	
CCNCC(CC)(CC)CCCCCC1CC1	2000499208	IBSFNXDBZIYKGY-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC1(CC)CCC1	2000519661	YEIJDEVVCDIOKP-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@H]1CCC2(CC2)C1	2003282833	RXBQXSGVOZTPBB-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@]1(C)C=CCCC1	2003321106	MGSZKBYWCZPJRI-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
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CCN[C@H](CC=C(C)C)[C@H]1CCC[C@@H](CC)C1	2004233621	LBUSEDHFFNZEHT-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@@H](CCC(C)(C)C)C1	2006632653	UIHVFQGFTHHJBO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)CC[C@H]1CC(C)(C)C	2009404621	PITWEEKOYUBCNP-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1CC(O)(CCC[C@H]2C[C@@H]2C)C1	2011564131	ODGFUXVWVDGGAH-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CCCNCC(CC)(CC)CCC[C@H]1C[C@@H]1C	2011581463	VGDNIYSVWOVSMG-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@H]1CC[C@@H](C)C1	2011958011	FXVKCSNSQDZDNE-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CC[C@H](C)CCNc1ccc(C(C)(F)F)cc1	2012749739	QZHAQSMPEUZFLL-NSHDSACASA-N	241.325	4.646	0	10	BJAE	
CC(C)[C@@H](C)C[C@]1(N)CCCC12CCCCC2	2015402862	XZRSILZZUADAEE-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C[C@]1(N)CCC[C@@H](C)CC1)C(C)C	2015403287	ZEUSSMJFEUMYAV-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C[C@H](C)C(C)C	2015407789	DKLZCKSPZNURKN-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)C[C@]1(CN)CCCC(C)(C)CC1	2015410288	URBMDSXATBBFJO-HOCLYGCPSA-N	239.447	4.604	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CC1(CC)CCC1	2015630965	KVLBICHYMGAOKU-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CCC(C)(C)C2)CCC1	2015631821	HNMPEULWJACJEM-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1(CC2CC2)CCC1	2015741616	CPAJXJJJTOCNQP-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)c1cc2ccccc2s1	2016441777	IQKQPOIFRSDWCE-BMIGLBTASA-N	244.359	4.520	0	10	BJAE	
CC(C)=C(C)CNc1ccc2ccccc2c1	2017431907	WEVZFHPUZVRNFM-UHFFFAOYSA-N	225.335	4.608	0	10	BJAE	
CCC1CCC(CCC2(O)CC(C)(C)C2)CC1	2017713187	WLPVXTBZIISSQS-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)[C@H]1C=CCCCCC1	2019122933	ZGHAARILVLLPTD-GJZGRUSLSA-N	237.431	4.632	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(CC(C)C)CC(C)C)C1	2019199431	DRBUUESJWKLHDT-HZPDHXFCSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCN(C)[C@H](C)[C@@H]1CCC[C@H](C)C1	2019300539	USJHUEAXSNFOJT-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H](C)C1(C)CCCC1	2019414043	JRIQWKITHQDMOH-GJZGRUSLSA-N	239.447	4.712	0	10	BJAE	
CCCCC[C@@](O)(CC)CCC1=CCCCC1	2019778767	LUVQIMOBCIERKM-INIZCTEOSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCC(C)(C)C1=O	2020394734	WJRWGEHLRDHILA-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H]1C[C@@H]1CCC	2022383700	LAMOVMZMXRFEOE-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](O)C1CCCCCCC1	2022447040	BRMPYXRTPLWZHK-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
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CCCC[C@H](C)CCC(=O)C[C@@H]1C[C@H]1C1CC1	2026079932	OZPCSKIGARMEDC-BJJXKVORSA-N	236.399	4.598	0	10	BJAE	
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C(CCNC[C@@H]1CCCC2(CC2)C1)CCC1CC1	2028626768	WSCHBLONGDWJIX-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
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CCCN[C@@H](CCCC1(C)CC1)[C@H]1CC12CCC2	2032131178	GLFWQGDQEZSGLM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
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CCNC[C@@]1(CC2(C)CCCC2)CC12CCCC2	2036107907	RWJVMMGRYMWZMT-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)C1CC2(CC2)C1	2036200360	PDBBIKGBLYJTGN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
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CC(C)C[C@@H](C)C[C@@H](N)c1ccccc1C1CC1	2037104804	CUPLABBHTKGJSE-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
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CCCC(C)(C)[C@H](O)c1cc2cccc(C)c2o1	2040722834	CEKJEEUPUJENTE-OAHLLOKOSA-N	246.350	4.601	0	10	BJAE	
CC(C)(C)NCC1(CC[C@@H]2CC2(C)C)CC=CC1	2042088376	DRGCBFXTJKIIRO-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NC[C@@]1(C[C@@H]2CC2(C)C)CC=CCC1	2042092913	AUJSNFPGAHZPHM-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CC1CC(C[C@@]2(CNC(C)(C)C)CC=CCC2)C1	2042094231	OJIPDXGMIFOHJE-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC([C@@H](N)C2=CCCCCCC2)C1	2043007913	XCNVCCKMXNXXKO-GPANFISMSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)C[C@H]1CCC=CCCC1	2045305132	MIDYEASZSQXBBT-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H](NC[C@H]1CCC=CCCC1)C1CCC1	2045316128	AWYHMTIXLWYQCT-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2CC3CCC2CC3)CCC1	2045565805	BZQDEKPHMVEAJQ-YMAMQOFZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CNC[C@@H]2C=CCCCC2)C1	2049512550	UIKIAGZEJNZLEO-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@@H]1C[C@H]1C=CCCC1	2049706032	XQQFPPYNVGZSCP-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
N[C@H](C[C@@H]1CCC2(CC2)C1)C1CCCCCCC1	2049867878	YATFBPTXORZKGU-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CC)[C@]1(C)C=CCCC1	2049999074	YXGFYQALRURPKE-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)c1cccc(F)c1	2050448608	KNEVCQQBTDFOFR-MRXNPFEDSA-N	248.341	4.530	0	10	BJAE	
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N[C@@H](CC1CCCCC1)[C@H]1CCCCC12CCC2	2053411670	LGEVLRKUYIQHII-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(CN)CCCCC23CCC3)C1	2053413022	VBWNKIQOZNQBGH-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
C[C@@H](C[C@]1(CN)CCCC12CC2)C1CCCCC1	2053418435	NDUMZTSWYLBHCM-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
C[C@H](Nc1ccc(CF)cc1)[C@@]12CCCC[C@@H]1C2	2055672827	XQJNTRFVNDRJQS-BJJXKVORSA-N	247.357	4.537	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1	2056538336	UXCLNFUWHMJYMB-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C[C@@H](N)C2(C)CCC3(CC3)CC2)C1	2056557429	UHBSEGGOQHBZPL-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)c1ccc(C)o1	2056872992	JFOHSHOIXQASJK-OAHLLOKOSA-N	247.382	4.519	0	10	BJAE	
N[C@@]1(C=C2CCCCC2)CCCCC12CCCC2	2056920246	PHMNWFDTVUCSLX-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H](F)C1CCCC1	2058032237	XJXBVHQBQBMKSK-OAHLLOKOSA-N	249.373	4.750	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)C2CC(=C3CCC3)C2)C1	2061730723	LKBDYLTXUYQNGE-JYAVWHMHSA-N	246.394	4.518	0	10	BJAE	
CCC(CC)(CC)CO[C@H](C)c1ccc(N)cc1	2061846661	XQIBHWPCDYOPFV-CYBMUJFWSA-N	249.398	4.563	0	10	BJAE	
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CC1([C@@](C)(O)CC2CC(=C3CCC3)C2)CCCC1	2067514678	OSJHYCRSUBFJNS-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@@H](N)C2C[C@H]3CC[C@H](C2)C3)CCC1	2069340063	QNXNZQXYBXGLLC-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)c1ccccc1C(C)(C)C	2070947497	NCLKJUPISZTTSV-SJKOYZFVSA-N	244.378	4.603	0	10	BJAE	
CCCc1ccccc1CN(CCC)C(C)(C)C	2075232130	WCFVIAMINKVUIO-UHFFFAOYSA-N	247.426	4.650	0	10	BJAE	
CC=C(CC)[C@H](NCC)c1cccc(C2CC2)c1	2077187658	OQHGKPXKRXNMML-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](NC)c1ccc(C(C)C)cc1	2079437147	ZUEFUYNSGAUAIG-BRWVUGGUSA-N	245.410	4.507	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1C[C@@H]1C1CCCCC1	2079531135	QJPWNTZSTXXPRP-UAGQMJEPSA-N	249.442	4.680	0	10	BJAE	
N[C@H](C[C@@H]1C[C@@H]1C1CCCCCC1)C1CCCC1	2079626127	HKWKPJGMFRPBKV-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2C[C@H]2C(C)(C)C)cc1	2079814763	OTTXYBSCKJCIED-GOEBONIOSA-N	246.394	4.871	0	10	BJAE	
CCC[C@@](C)(CN[C@H](C)CC)C(CC)CC	2212585773	FYSMNDHIJWWNRX-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CC1(C)C[C@@H](CCCCCCCC2CC2)CN1	2213575814	JLZUNPDRGGPVDO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCN(CCCCCCC1CC1)C1CC1	2213583409	RKQCYESTTBDPQQ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H]1CCCCCCC[C@H]1O	2215237908	SJULVXBNPUQVOI-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CC[C@H]1C[C@H]1C)C(CC)(CC)CC	2215264178	BSQKVTSTMUTMKG-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)c2cc(C)sc2C)C1	2215459913	XQYVXVMQKFOXGP-NOZJJQNGSA-N	248.391	4.540	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCC[C@H](C(C)(C)C)C1	2216260562	YQHOWDOJFDDBKZ-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)C)C[C@@H](C)C(C)C	2217138069	LYMIQDHOZMCTAQ-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](C)CC(CC)(CC)CNC1CCC1	2217153788	OLVDHKAPLJNHBF-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC(=O)CC1C[C@H]2CCC[C@H](C1)C2)C1CC1	2218337033	XYIFEGJXQSHCGD-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
CCCC1CC(N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218362657	ZZVSHLJGXPOQFE-BDYLLLIDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C/C=C/c1ccccc1)C(CC)CC	2219085545	NMQQZCDFDMKFGC-RTGRKSDTSA-N	245.410	4.504	0	10	BJAE	
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CC[C@@H]1C[C@@H]1CC[C@H](O)c1ccc(C(C)C)cc1	2220851403	PBQXZYAWWGQDPF-COXVUDFISA-N	246.394	4.670	0	10	BJAE	
CN[C@H](CCCCCCCC1CC1)c1ccoc1	2223135050	GOZSJOHHKMJFBY-MRXNPFEDSA-N	249.398	4.681	0	10	BJAE	
Cc1c(C=O)sc(C2=CCCCCC2)c1C	2243072383	IJVRQQFLGDKLNP-UHFFFAOYSA-N	234.364	4.525	0	10	BJAE	
CCC[C@H](CO)CC[C@H](C)CCCC(C)C	2244846528	DMVCMGITNLAWLT-CABCVRRESA-N	228.420	4.638	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](O)CCC2CCC2)C1	2246725383	HQBULJOIVFRPCT-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@H](O)CC[C@H]2CCC[C@@H](C)C2)CC1	2246735653	ZQVVWIPSENVFAU-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CN(C)C[C@H]1CCC1(C)C	2247334784	YGROUCWWYZZSDP-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC1=CCCCC1	2247500978	ZEMYMFYIOBCUAH-HOTGVXAUSA-N	235.415	4.565	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2=CCCCC2)CC1	2247506240	BQMKONPGUIXFCN-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCC(CC)CC(=O)CC[C@H]1CCCC12CC2	2247637820	BRZLTWPZUCDHRC-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)C1(C(=O)CCCCC[C@H]2C[C@H]2C)CC1	2248880900	VHCDPXPIDKLZSX-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C(F)F)[C@@H](C)CC	2250108080	NZMGJHZKJSELCE-XQQFMLRXSA-N	249.389	4.615	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1CC(C(C)(C)C)C1	2250358643	OELUSTZDRFDQLV-ROKHWSDSSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@H](C)NC1	2250475943	MWWLRQSUZXSMIU-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CF)CCC[C@@H](C)CCCC(C)C	2250479806	YSXZINSUYABVRL-LSDHHAIUSA-N	245.426	4.567	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@@]23CCC[C@H]2CC3)c1	2251160700	AWWFYDXFDRTTFR-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CC(C)(C)CCC1(C)C	2251664080	GOCMPYBLULVFJT-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CC1(C[C@@H]2CN[C@@H]3CCCC[C@@H]3C2)CCCCC1	2253805230	FZXWHYBFHTVBFH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1[C@](C)(N)CC[C@H]1CCCCC12CC2	2253844327	QUGPSGCAJAZVBY-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@]1(CC[C@@H]2CCCCC23CC3)CCCN1	2253879899	GZFVRBBDOXZRFY-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2CCC3(CC2)C[C@@H]3N)C1	2253943233	DIIQYUWUZQWEEW-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@@H](N)CC1CC2(CCCC2)C1	2254104964	CPJWNTTXTMUSRH-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CC[C@@H](C)C[C@@H]1C	2256142173	PEQJAEFABANVJE-TYNCELHUSA-N	249.373	4.625	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@]12CCC[C@H]1CC2	2260505306	HBSQQOXUGFVTRY-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC[C@@]12CCCC[C@H]1CC2	2260551837	WVFQYXDTMLDQJG-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)C1CCCCCCC1	2298872779	CQSHWUQMKYCXDE-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@]1(C)NCC[C@@H]1CCCCCCC1CC1	2299981563	PNEHUZWTCLFRPM-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@]12CCCC[C@H]1C2	2300501296	LORAFRACDOIAGN-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	2300875229	SLPDODSVJUCTKA-IJEWVQPXSA-N	237.431	4.523	0	10	BJAE	
CC=CC[C@@H]1C[C@H](CCC)CC[C@H]1NCCC	2300924877	XGPZSNZIVLDMQY-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC1CCCCCC1	2301140488	PGYALLLAENHESM-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1[C@@H](C2(N)CCCCCCCC2)CC1(C)C	2302169071	JJUOMKXMVXUBTD-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@](C)(O)CC[C@H]1CCC(C)(C)C1	2304350896	CPCWRPRAJWTJKV-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](c1nc([C@@H]2CC23CCC3)cs1)C(C)C	2304489466	FOOFEEUQZLTBOK-RYUDHWBXSA-N	249.423	4.950	0	10	BJAE	
CCC[C@@H](CC)C[C@](CC)(CNCC)C(C)C	2307750892	ZXMXJOCGJOWAFP-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](C)CC[C@@H]1NCC	2307897321	ARSCBTFJRQJCFA-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](N)c1cccc(C)c1	2307897512	BYGUWHCRGNMFRW-ZBFHGGJFSA-N	233.399	4.601	0	10	BJAE	
C/C=C/CCC[C@@H](N)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2310192480	ZYQMXAUABGCOKO-HGUUKAKJSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313323593	FIUXYNNKBDIXKI-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N(C)[C@@H]1CCCCC12CCC2	2313598584	GUQPWRDGVZQBLW-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CCN[C@@H](CCC(C)C)c1ccc(C)c(CC)c1	2314701480	CMMJCDCKKVNQBK-KRWDZBQOSA-N	247.426	4.644	0	10	BJAE	
N[C@H](CCCCC1CC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316696775	IJELGKKDYXSPOI-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN[C@@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2317022776	VNONSYUSXUFFCU-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(C(=O)[C@H]2CC(C)(C)[C@H]2C)cc1	2318183016	OGCLJWAOMQCOSO-WFASDCNBSA-N	244.378	4.504	0	10	BJAE	
Cc1ccc(C)c(OCCCC2=CCCCC2)c1	2318599861	ZIADJRFLJJIPIS-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1CCC(C)(C)C1)c1ccccc1	2319118867	OFAMGEZJWFXQNC-KGLIPLIRSA-N	244.378	4.576	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CC1CC(=C2CC2)C1	2320151233	GOXFDBCPFCTTRX-HUUCEWRRSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@@](N)(CC[C@@H]2CCCC23CC3)CC1	2320267643	HIGZNIOWYOZIGI-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)c2ccccc2C)CC1	2320338609	WULWCLMQCNYHLU-INIZCTEOSA-N	243.394	4.568	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CC23CCCCC3)CC1	2320412381	OEHIJPDAKJWFGM-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@]12CCCC[C@@H]1CCC2	2320438434	ZQEVIGCJQDPCHF-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	2320450170	SAYKRGHNZZVAPW-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c2cc(-c3cccs3)[nH]c2c1	1517627	NCCMLCFSDRWFQV-UHFFFAOYSA-N	227.332	4.513	0	10	BJAE	
CC(C)[C@@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1	20523085	GSYBWLYTUGDQSG-KGLIPLIRSA-N	247.426	4.679	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1cccc2c1CCCC2	21030096	GCPICVSJFPAOET-CQSZACIVSA-N	245.410	4.802	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1Nc1ccc(Cl)cc1	21043105	UAHDIOSUMQONME-GHMZBOCLSA-N	237.774	4.577	0	10	BJAE	
Cc1c([C@H](C)NCC(C)C)sc2ccccc12	37186764	ZKKAAROCCDMLAH-LBPRGKRZSA-N	247.407	4.516	0	10	BJAE	
CCCCCCNc1cccc(O[C@@H](C)CC)c1	66171348	JHTKEGXHNQOWFW-AWEZNQCLSA-N	249.398	4.856	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1cc(CC)ccc1CC	70440702	NOFWKZRRHAYWEJ-SUMWQHHRSA-N	247.426	4.508	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@@H](CC)C2)cc1	71105860	WGDNPLYFKGIPAQ-GDBMZVCRSA-N	231.383	4.630	0	10	BJAE	
CC(C)c1ccc(C2(N)CCC(C)(C)CC2)cc1	79657678	QNWJLPIVADGIIL-UHFFFAOYSA-N	245.410	4.564	0	10	BJAE	
CCCC(CCC)N[C@H]1CCC[C@H](CC)C1	82847503	KIHWQWZODZEQJQ-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccc(Cl)cc2)[C@@H]1C	82857308	HFAFOFWOVPRZFS-GYSYKLTISA-N	237.774	4.577	0	10	BJAE	
CCC1CCC([C@H](O)c2ccc(C)cc2C)CC1	85077684	DDHJBPQHWPAROO-DQPZFDDXSA-N	246.394	4.553	0	10	BJAE	
Cc1cccc2c3c([nH]c12)CC[C@H](C(C)(C)C)C3	87818728	RTBPLRPJCDCGPT-LBPRGKRZSA-N	241.378	4.627	0	10	BJAE	
CCC1CCC(C(=O)c2cc(C)ccc2C)CC1	87933989	ONLJJOAVNDRXQS-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC[C@H](C)CC(=O)C1CCC(C(C)(C)C)CC1	87976231	UPAWFRSYHJBTGK-HSBZDZAISA-N	238.415	4.844	0	10	BJAE	
CCCNC[C@H](C[C@@H](C)CCC)c1ccccc1	88098164	UCLCPMHIFDVCEU-RDJZCZTQSA-N	247.426	4.596	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cc(C)cc(F)c2)C1	91510745	XPVLTXCOGVJTQE-TZMCWYRMSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1cc(C)ccc1C	93074311	BYSBANGEYLGGAP-MRXNPFEDSA-N	233.399	4.533	0	10	BJAE	
CCCC[C@H](NCC)c1ccc2ccccc2c1	103942278	JDOKSFHBPWHJEA-KRWDZBQOSA-N	241.378	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)C1CCCCC1	109726323	GUASZZKGNHEFDR-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)c1c(C)c(C)c(C)c(C)c1C	109784451	LQBCIYSIHFWOCF-BMLIUANNSA-N	248.410	4.698	0	10	BJAE	
CCCC[C@H](N[C@H](C)[C@@H](C)CC)c1ccccc1	109927544	QYJCBYWAGPAUQX-UXLLHSPISA-N	247.426	4.942	0	10	BJAE	
CCCCC1CCC(CCCC)(CNC)CC1	110198554	GXOSGGNIXLJVCW-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CP(C1CCCCC1)C1CCCCC1	115861124	BIVNYIJKHBGMFI-UHFFFAOYSA-N	212.317	4.764	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H](C)C(C)(C)C)CC1	122612302	VETJSININZDGAA-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Sc2ccc(C=O)cc2)C1	123648077	IRGRKUYMULKZSX-IUODEOHRSA-N	248.391	4.560	0	10	BJAE	
CCCCCC[C@H](C[C@H](C)C(C)(C)C)NC	124874632	JMEMQRAPVGZMGT-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC1CCCCC1	130425269	ICJSGRFBVHSUHA-UHFFFAOYSA-N	232.367	4.830	0	10	BJAE	
CCCCCC[C@H](F)c1cccc2c1NCC2	132489594	DJEATVFABQGQOP-AWEZNQCLSA-N	235.346	4.636	0	10	BJAE	
N[C@@H](c1ccc(C2CCC2)cc1)C1CCCCC1	133116608	CHFDJRVKNUQLEW-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CC[C@H](C)c2ccccc21	136965091	KNMGQIUOIDPXLL-ZQIUZPCESA-N	245.410	4.793	0	10	BJAE	
CC[C@@H](C)c1cccc(Cl)c1Cl	143306772	DXRFZZRMFOCNMV-SSDOTTSWSA-N	203.112	4.507	0	10	BJAE	
C/C=C/CCN[C@@H](CCCC)c1ccc(F)cc1	161691542	UEKQJFQGSAJYHR-WMHVBEDNSA-N	249.373	4.613	0	10	BJAE	
CCCCCC[C@@H](CNC(C)C)C(C)(C)C	162361535	OLYRKHMNXDWGRM-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCNc1cccc(C(C)C)c1	165196102	LAJKXSJJPWRIHR-UHFFFAOYSA-N	219.372	4.658	0	10	BJAE	
CC1(C(=O)c2cccc3ccsc23)CCCC1	229328816	RLWUMUCYBSZTDC-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
CCC[C@H](C)Oc1cc(Cl)ccc1Cl	233340412	MFMKGQIDEDNZNS-QMMMGPOBSA-N	233.138	4.561	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2ccc(Cl)cc2)C1	235399839	PWPFCTDQWDIMSL-AAEUAGOBSA-N	249.785	4.744	0	10	BJAE	
CCCCCC[C@]1(N)C[C@H](C)CC[C@H]1C(C)C	250825460	NIDOXEUCKIIKQZ-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@@H](C2CC2)C1	251857219	SJUUAIZRYRUGRY-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CSc1ccc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1	252170453	RBNUQUWBUXXAGP-IMRBUKKESA-N	249.423	4.645	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C[C@H]1C[C@H]2CC[C@H]1C2	300282934	FBTBXJGEFJVSSS-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(CN)(CCC2CCCC2)CC1	305906206	CUOMPPIGMIKOSP-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)C1CCCCCC1	308037939	WSONTSYINWFFHP-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CC[C@@](O)(C[C@@H](C)CC(C)C)c1cccc(C)c1	310790666	QTHZOFRQPKNOPL-DOTOQJQBSA-N	248.410	4.665	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CC2CCC(C)CC2)c1	310975199	IWZNDPRBLUSABE-MWHAMWOXSA-N	245.410	4.520	0	10	BJAE	
CCNC[C@](C)(CC)CC/C=C\c1ccccc1	317222527	BZJPGDGWAUSSFV-HOFZKYPUSA-N	245.410	4.506	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CCC)CCCC[C@@H]1C	317403840	BCHFXGSYIYJUOB-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCCC1(CNC(C)(C)C)CCC(C)CC1	318521514	IFLFDQJFCUBXBC-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCSc1ccccc1N[C@H](CC)[C@@H]1C[C@@H]1C	322101733	YMIVYASTFSWMAD-YNEHKIRRSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCC1	324615843	AHLNKFRCJHKYJW-SVGFKBNWSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC1CCC(C)(C)CC1	383711969	UFYILXPJPMNHPI-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC(C)(C)C(C)(C)C)C1	383730259	ARMDYRQJHLRHCU-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(C)cc1OC	383968658	PZLSKCKHRQYXAS-AWEZNQCLSA-N	249.398	4.632	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@H]1CCCC[C@H]1C	384516763	IVHIVCMKMYNSCG-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@@H]2C=CCCCCC2)C1	385053834	DHBRVBUNEDENRY-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(CCC(=O)c2ccccc2)CC1	385204707	VPFAAFCFNTUCEO-UHFFFAOYSA-N	244.378	4.866	0	10	BJAE	
CN[C@@H](c1ccccc1)[C@@H](C)CC1(C)CCCC1	386099705	JQHPLCNTHPEVNI-GOEBONIOSA-N	245.410	4.554	0	10	BJAE	
CCC1(C[C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCC1	395167706	PLPCPGYUURYAGD-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCc1cc2cc(CC)c(SC)cc2s1	396161006	FMKUINHWEGVVOM-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCOc1ccc2scc(Cl)c2c1CC	396193351	SJFNUIJUOPQDJE-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1cc(C(F)F)cc2cc(C)sc12	396197082	IIFGVBWYQMJHRY-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCOc1csc2c(CC)c(Cl)ccc12	396197988	ZYPOHNDWTUDJFF-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@H]3C[C@H]2C3(C)C)cc1C	400640422	JJKLGPPOTGCYJM-IMJJTQAJSA-N	243.394	4.540	0	10	BJAE	
CC(C)c1cccc([C@H](N)CC(C)(C)C2CC2)c1	688951497	QXAAQKZBWFHLAQ-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
c1ccc(-c2cccc(NC3CCCC3)c2)cc1	689638965	ATYWKINMXIRBIR-UHFFFAOYSA-N	237.346	4.708	0	10	BJAE	
CCCC[C@@H](C)Nc1cc(Cl)cc(F)c1F	691001693	YGMIOFDQROQSRR-MRVPVSSYSA-N	247.716	4.609	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@H]1CCCC2(CC2)C1	695986882	SPVGMUIJUGSUPG-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CCNc1c(F)cccc1Cl	696759781	UAYABXGNJCUHJY-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCC(C)(C)CCn1ccc2cc(C)ccc21	696781113	IQZNPCPEXJDZIZ-UHFFFAOYSA-N	229.367	4.776	0	10	BJAE	
CCCC(CCC)C(=O)C(C)(CC)CC	701357007	BEZHNXPUTQAPMC-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCCc1ccccc1[C@@](C)(N)CCC(C)(C)C	704865423	UGYHFBYEMCISIZ-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CCCC[C@](C)(N)c1ccc2ccccc2c1C	707621965	PRIZPJOEZCCQST-KRWDZBQOSA-N	241.378	4.512	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CC[C@H]2CCC[C@@H]21	707860683	PQFQREWTHUFWGH-OSAQELSMSA-N	249.785	4.639	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@@H](C)CC(C)(C)C	708246998	DGIZZCJKUDLFOP-ZFWWWQNUSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)c1cc2ccccc2o1	709269860	AHISSCICFWKNRQ-NSHDSACASA-N	244.334	4.688	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@@H](CC)C(C)(C)C	711174623	CPNZCCRDICNOQU-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C[C@@H](C)C(C)(C)C	711200422	QLXPHQXWAWHVEH-KFWWJZLASA-N	241.463	4.848	0	10	BJAE	
CCCC1CCC(N[C@@H]2C[C@@H]3CCCC[C@@H]32)CC1	712397422	QUACPSYATKLGAG-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C(C)C)[C@H](C)C(C)C	713210376	DFIUVABCWVJWGL-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
C/C=C/[C@H](C)Cc1ccc(CCCC)cc1	714539146	BSOWFZVFACSGGL-DYLGSBMWSA-N	216.368	4.784	0	10	BJAE	
CC(C)C[C@H](C)C1(CNC2CC2)CCC=CCC1	718041091	XRLFMYOESUDHJZ-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CNC2CC2)CCC[C@@H]1C	718779431	MSEIYRFZSPRMAO-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H](C)SCc1cccc(C(F)F)c1	1307309312	BRIZMBPVSPMUDR-JTQLQIEISA-N	244.350	4.902	0	10	BJAE	
CCC[C@H](CC)CN(Cc1ccccc1)C(C)C	1893831530	MIZFZJGCDSLTOF-INIZCTEOSA-N	247.426	4.723	0	10	BJAE	
CC(C)CC[C@H](C)N(C)c1ccccc1Cl	1901208977	LBOFQWSWPRZYNF-LBPRGKRZSA-N	239.790	4.601	0	10	BJAE	
CC(C)[C@H](C)CC(=O)CCC1=CCCCC1	1901687866	CGHLFBRHXRWBEN-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)c1csc(C)c1	1905448462	YOTVZNYKSMSGBX-OCCSQVGLSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@H]1C[C@H]1CCC	1910655347	ZUFKGGIMAAPWHJ-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC(=O)[C@H](C)C[C@@H]1C[C@H]1C1CCCCCC1	1910794631	OUINBGBDWITHAS-YUELXQCFSA-N	236.399	4.598	0	10	BJAE	
CCC=CC[C@H](CC)c1ccc(OC)cc1	1912011948	SNKAYKADPNLOKC-ZDUSSCGKSA-N	218.340	4.545	0	10	BJAE	
CCC=CC[C@H](CC)c1ccc(O)c(C)c1	1912046848	RPFDWTZQHMKWKI-ZDUSSCGKSA-N	218.340	4.551	0	10	BJAE	
CCCCCC[C@](C)(N)CCCc1ccccc1	1920186482	OJNFBACGMDWDGC-KRWDZBQOSA-N	247.426	4.697	0	10	BJAE	
CCCC1CC(N)(C[C@@H](C)C2CCCCC2)C1	1921261710	LWVHRUPGOKHAGI-VQCLRJIVSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](NCCC)C1CC(C(C)C)C1	1921273482	UDNNOUWKQOHZFY-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)C[C@H]1C=CCCCC1)C(C)C	1925774230	LQSHUNFUPXZEFY-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@@H]1C=CCCCC1	1925919202	BMFXAHNVDKKOJQ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCN[C@H]1CCCC(C)(C)CC1	1926159708	NYSTVQVKNCGSMT-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C(=O)c1ccc(Cl)s1)C(C)C	1927986483	WHDRPQPAQKTZCM-VIFPVBQESA-N	244.787	4.657	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCCC1(C)CC1	1935941668	WJGSFYDBEPMSAP-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2(C)CCCCC2)[C@@H]1C	1940405226	FXXKQTZIDSILFS-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C(C)C)[C@H](O)CCCCCC1CC1	1941577454	ZLBLCEBWCFHYMQ-OAHLLOKOSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1CCCC1(C)CC1	1941687407	KBMRRSKZNWRSEN-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C1(C)CC(C)C1	1941984097	PSTADWONSZEXDI-OGVSOVDVSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)CC1CCCCCC1	1942652010	CMZZAYUOYUDXDJ-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC(C)C)C1(C)CCC1	1942653505	QZABJFABLZCNGZ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C[C@H](C)C1CC1	1944518440	UWTHDVXUCDQCTC-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](NCCC2(C)CCCCC2)C1	1945433202	YDMDUPAHODNVHW-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)c1cccc2sccc12	1945948099	SUZRNKGQNFVFTN-LLVKDONJSA-N	246.375	4.766	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC[C@H]2CC[C@H]1C2	1947119019	WEQOQFHBOWCESE-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)CC1CCC(C)CC1	1947514794	ILPRUWQLQHPQTC-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC(F)(F)CC)C(C)(CC)CC	1947883767	UNEQVTHMFPHFJW-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2CC(C)(CC)C2)C1	1948406866	GNNCQAAYQZGVKB-NOZYUVCASA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@H]2CCC[C@H](CCN)C2)CCCCC1	1950513883	NAMSOQKJBMUXPP-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(CC2(C)CCCC2)CC1	1950928850	BHBAUYUNNBYVJG-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCC=C[C@@H](C)Cc1ccc(OCC)c(C)c1C	1951308825	OSNKJOGXEAFRNI-CYBMUJFWSA-N	246.394	4.847	0	10	BJAE	
CCC1CCC(N[C@@H]2CCCCC23CCC3)CC1	1967799206	TZRAOYFOPGIJEO-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCCC[C@@H]1CN[C@H]1CCC12CCCC2	1970081142	BSEPLDFMTYZTGB-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCCC[C@H]1C(C)C	1973163763	JIJNXDAVVHMDGK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCCCCC[C@H]1N	1980340276	VCYBGIQJLOQJBW-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(OCCCC2CC2)c(C)cc1Cl	1989927113	WNEDAVWVSIHNKG-UHFFFAOYSA-N	238.758	4.526	0	10	BJAE	
CC=C(CC)[C@H](CCCCCC)NCCC	1992051679	LAYAGKDBDLTOEW-HNNXBMFYSA-N	225.420	4.681	0	10	BJAE	
CCCCCCNc1cc(Cl)c(F)cc1C	1995048190	PCQWLSHQJAICSN-UHFFFAOYSA-N	243.753	4.780	0	10	BJAE	
CC1CC(c2nc(C3CCCCC3)cs2)C1	1995495734	BGRAQEGYPDGPPG-UHFFFAOYSA-N	235.396	4.704	0	10	BJAE	
CC1(C)CCC[C@@H](NC(C)(C)C2CCCC2)C1	1995815036	KFPBEZDTPYVIPM-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCC[C@H](CC)CC1	1996614724	BLKCABVWTJKDQQ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCCc1ccc([C@@H]2CC2(F)F)cc1	1996747407	SUDWWYFCGRCRPJ-AWEZNQCLSA-N	236.305	4.708	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCCC(C)C)CC1	1997116976	OFESIZJNFUMHOP-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC[C@]1(C)CC=CCC1	1997588298	NJDBTFFWBVLKEI-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@H](C)CC(C)C	2000381431	FCYHYFRNKNZKRT-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H]1CC12CCCCC2	2001211657	SYBBFIRYSHZBKM-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CC23CCCCC3)cs1	2001256606	XNDLLYKEACJGOE-ZDUSSCGKSA-N	248.391	4.600	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C[C@@H]1CC12CCCC2	2001257447	WWAMLIVMEWMFGX-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(NC[C@]2(C)CC=CCC2)c(Cl)c1	2001699362	OOILACQIAOYNKE-OAHLLOKOSA-N	249.785	4.807	0	10	BJAE	
CCC(C)(C)CC(=O)[C@]1(C)CCCCC1(F)F	2002582854	ODYRUMOUWRKMMO-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CCC2CCCC2)C1	2002997165	APVQYKFNATYONA-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2003015601	OGVWXLDBKJEDOZ-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CO)CCCC[C@@H]1C	2005586724	PXIARXWEBJSEKJ-JYJNAYRXSA-N	240.431	4.782	0	10	BJAE	
CCC(C)(C)CCNCC1(C)CCC(C)CC1	2007682374	YWRFEFMDQMZVRI-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](C)[C@@H](C=C1CCCC1)NCCC	2007937708	QLIFKKLHSSPSBS-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCC1(C)CC(O)(C[C@@H](C)C2CCCCC2)C1	2009308014	IRUFQXZINKKGDD-IUDNXUCKSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H]1NCC[C@H]1CCC1CCCCC1	2009770344	ODPRBGOAWYKOSB-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CC(=O)CC2(CCC2)C1	2012084221	MMUFRVOLZRMOAW-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1C[C@H]2CC[C@@H]2C1	2015191606	LOBCZAACVILTGB-RRFJBIMHSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)C)C1CCCCCC1	2015268665	FHHMJZACRLYVBP-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)C)C1(C)CCCCCC1	2015275926	ULULOLIMYMJKNA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)C)CC(C(C)C)C(C)C	2015290083	HJPUYKTVEUTJHG-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CC(C)C1CCC(C(=O)C[C@H](C)C(C)C)CC1	2015383502	MPBNAFZELTYLJL-NFOMZHRRSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@]2(N)CCCC[C@H]2CC)CCC1	2015642589	RWBQZDPUOLINEG-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](CNCCCCCCC(C)C)C(C)C	2016107146	TYBFBCOTYUTTBQ-INIZCTEOSA-N	241.463	4.865	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@H]1CCC[C@H](C)C1	2016148837	DGVSVDVOUUNLDV-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CC12CCC(CC1)CC2	2017695650	QPCWUOAXNQNZHB-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(O)c1cccc2sccc12	2017700542	NMOYYTSUIGJHAG-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CCC1(CC[C@@H](CC2CCCCC2)NC)CC1	2018985307	OLZXUBJGKGXCAA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2CCCC(C)(C)C2=O)C1	2020394910	YCCYQBMOXNNUON-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(F)(F)CCCC(=O)C[C@H]1CC[C@H](C)CC1	2023299222	IWESVJSBDRZRQT-HAQNSBGRSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H](C)CCC(C)C	2023325591	UPVZRXRIVNUXOO-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CC=CCCC[C@@H]1CCC[C@@H](C)[C@H]1NCCC	2024001566	SIBWDVLDAHBTGH-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC(C)(C)CCC1=O	2024126824	YOOUBCUILHTHKS-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
Cc1cc(C)c2cc(C3CC(C)(C)C3)[nH]c2c1	2024288829	DQDLTRRYIDKKNC-UHFFFAOYSA-N	227.351	4.688	0	10	BJAE	
CCNC[C@@]1(CC2(C)CCCC2)CC=CC[C@H]1C	2027925235	DDLYAAMZGJDFAT-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC1CCC(C(=O)c2ccccc2C2CC2)CC1	2028569036	MULYGPWGIDWYRH-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)CCCC1CC1	2028932057	ZIAHUINFVNHNFP-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
C[C@H]1CC([C@H](N)C2=CCCCCCC2)C[C@H](C)C1	2030249708	FZRKBCKLGYZFRB-CKEIUWERSA-N	249.442	4.667	0	10	BJAE	
CC1([C@H](N)c2ccc(C3CCCC3)cc2)CCC1	2031746901	SHMKWKGYOCDCCH-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccc2c(c1)CCCC2	2035258605	NUQSCCJZAZWKOA-ZDUSSCGKSA-N	244.378	4.574	0	10	BJAE	
CC(C)=CCC[C@@](N)(CC(C)C)c1ccccc1	2037146783	LMWMQGXBPSKZTJ-QGZVFWFLSA-N	245.410	4.633	0	10	BJAE	
CC1(C)CC[C@H](C2(N)CCC3(CCCC3)CC2)C1	2037587538	SQRNDQDSASZZEE-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC1CCC(CN)([C@@H]2CCC3(CCCC3)C2)CC1	2037688294	XPMJTJOTGWSGBI-ISXOHVOVSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCCCC1=C1CNC2(CCCCC2)C1	2037762073	MEBHYJHDJISTRR-CQSZACIVSA-N	247.426	4.579	0	10	BJAE	
C1CCC(CCCNC[C@@H]2CCC3(CC3)C2)CC1	2038581934	DJYCDRCLAVDHJD-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
O=C(CCCCCC1CC1)[C@H]1CC12CCCCC2	2039010307	XHVXTYOXNXFMRL-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
Cc1ccc(F)cc1C(=O)[C@@H]1CCC[C@H](C)CC1	2039378612	YCFNSKCTIDIRIG-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CCN[C@H]([C@@H]1CC=CCC1)[C@@H]1CCC[C@@H](CC)C1	2042025762	YINCKNHATBIQCR-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CCC1)[C@H]1CC=CCC1	2042027587	OOXHUKKRZBLKCE-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(NC[C@H]2CCC=CCCC2)ccc1F	2045329381	NNYWHZVEKYGGDR-AWEZNQCLSA-N	247.357	4.683	0	10	BJAE	
N[C@H](CCC1CCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047405331	BBKDAYXWGHBJJO-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1CCC12CCC2	2047936050	NMMBFVIEWMKAJJ-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@H]1[C@H]2CCCC[C@H]21	2048472788	GSZYNCGWBWZFRE-BJWYYQGGSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(CNCC[C@H]2CC=CCC2)CC1	2049349748	HLHIHQABVBEVFY-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NC[C@@H]1CCC2(CC2)C1	2049845125	HFQUXZXHGKVJRF-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)C[C@@H]1CCCC2(CC2)C1	2049859054	SIPDAQIRDALPDA-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CCC2(CC2)C1	2049951008	LIJVMXMOFVQBPX-ZNMIVQPWSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(F)ccc1NC1C2CCCC1CCC2	2050041501	IYWBDBZLXFFAJO-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCN[C@H](C[C@H](C)[C@@H](C)CC)c1ccccc1C	2050456079	MVOAVRRBRRUIPP-JLJPHGGASA-N	247.426	4.718	0	10	BJAE	
Cc1ccccc1[C@@H](N)CC[C@@H](C)CC(C)(C)C	2050459315	VUORHSNGLQLPSU-CJNGLKHVSA-N	247.426	4.847	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1CC12CCCCC2	2051407246	SLDCTENTQRYVHL-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)CC1(CC3)CC1	2051614590	DTSMPRAZQRQOEA-UHFFFAOYSA-N	239.362	4.560	0	10	BJAE	
CN[C@@H](CC1CCCC1)[C@@H]1CCCCC12CCC2	2053411497	KDEMZMGUXVJMCH-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NC[C@H]1CCCCC12CCC2)C1CC1	2053435231	BBPDNRUVNVPNBS-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(C[C@H]2CCC=CCCC2)C1	2054979087	AWNIYADJDWJMAG-IKGGRYGDSA-N	247.426	4.587	0	10	BJAE	
C[C@@H]1C[C@H](C[C@H]2CCC[C@@H]2F)c2ccccc2N1	2055299702	ITKVVYWXOIYANP-BHPKHCPMSA-N	247.357	4.503	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)C1(C)CCC(C)CC1	2056556439	IFWVAMXRCFRSNL-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)CC1CC(C2CCC2)C1	2056640372	ORKZLLQLUNIDDE-KMZOKZLKSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CC(C2CCC2)C1)C1CCCCCC1	2056644417	CAMHGQZYHCOHMY-QWFMPGPPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@@H]1CCC[C@@H]2C[C@@H]12	2057367382	ZNVWOYRNJSBBCY-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC1(CCC2(CNC3CC3)CCCCCC2)CC1	2059179857	FUVFRJFXZNFQBS-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCCC[C@H]2C2CC2)C1	2059394401	VGBGQQVLTBHFGW-MHVXSEJMSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CC(NC[C@H]2C(C)=CCC[C@@H]2C)C1	2059492212	NNJFOTJFZVUHBN-OTBWCIGPSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@]2(N)C[C@H](C)CC[C@@H]2C)CC1	2061122423	ORCNTQLKQSIAIY-DLTWYDFYSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)CC2CC(C)(C)C2)CC1	2061138970	BODWHWYLSQTTCS-GDBMZVCRSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H]1CCCC[C@@H]1C1=CC[C@@H](C(C)(C)C)CC1	2061151659	UJAPRIUXFIVTTH-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2[C@H]3CCCCC[C@H]32)CCCC1	2067531011	VZAXTGOGRSFWRL-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@@H]2C1	2068800929	MJCNZJSKMOJSLB-DDBYYKKRSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1(CC2CCC2)CC1	2069584341	BCHCWDWTAVSBQY-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)CC1=CCCCC1	2070408431	OTUXRIUJQCXKNN-HOTGVXAUSA-N	249.442	4.990	0	10	BJAE	
CCCC(C)(C)C(=O)C1CC(c2ccccc2)C1	2071407522	RVNQNLAVRIBXDE-UHFFFAOYSA-N	244.378	4.576	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)c2cc(C)c(C)o2)CC1	2072700982	SOUSWEYUNSSYJH-DZKIICNBSA-N	249.398	4.503	0	10	BJAE	
Cc1cccc([C@H](N)CC[C@H]2CC[C@H](C)CC2)c1	2072800137	ATLAJSIYEGCNTF-FRFSOERESA-N	245.410	4.601	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@H](N)c2ccco2)CC1	2072804541	SZCHYYPDLKUWCH-RBSFLKMASA-N	249.398	4.666	0	10	BJAE	
CC1(C)CCC(=C[C@H]2CC[C@H](C)CC2)[C@@H](CN)C1	2072818751	PPHVQTHJOAYROU-IIAWOOMASA-N	249.442	4.524	0	10	BJAE	
CCCC1(C[C@H](NCC)c2cc(C)c(C)o2)CC1	2074645538	CEMNWARCBIQMMA-AWEZNQCLSA-N	249.398	4.517	0	10	BJAE	
CCCC[C@H](CC)CN1CC2(CCC2)C12CCC2	2077939827	ZBZLCRBTAGFKOZ-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CC1(N)CC2(CCCCC2)C1	2079672415	WOEFIJZNIMHPMS-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)ccc1N[C@H]1CCC[C@H](C)CC1	2081947114	ORWPWBJGJYGDJJ-WFASDCNBSA-N	249.373	4.769	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CC2CCCCC2)c1	2082960033	XZFYKRANILLOCJ-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
c1ccc(-c2cccc(NC3C[C@@H]4C[C@H]4C3)c2)cc1	2097009784	HTZTZNHILAFVJC-HOTGVXAUSA-N	249.357	4.564	0	10	BJAE	
Cc1csc([C@@H](N)CCCC(C)(C)C)c1C	2210579090	UEWFLIMZHGUBCC-LBPRGKRZSA-N	239.428	4.581	0	10	BJAE	
CCCCCC[C@](C)(O)CC[C@H]1C[C@@H]1CC	2211559589	QTIPWUKEVVMWGQ-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CCC[C@@]1(C)NCCCCCCC1CC1	2213576246	OBXWUISYGLZULE-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](O)[C@@H]1CCCCCCC1CC1	2213579340	DTFAXWBPKRKURP-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C(CCCC1CC1)CCNCC1CCCCC1	2213583098	OKPDWPAFBXKMSP-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@H](C)c1ccc(C)c([C@H](C)CC)c1	2214051671	KWZFAMPDOMWEHC-TZMCWYRMSA-N	233.399	4.569	0	10	BJAE	
CC1CCC([C@@](C)(O)CCCCC2CC2)CC1	2214583973	PYWKHPQOSDZJLO-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@](N)(CCCCC2CC2)CC1	2214585802	UKIZNOALTUDMJH-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CC)C[C@@H](C)CC	2215245841	FHSRNLPDGZCWQL-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@]1(C)CC=C(C)CC1	2215811497	CEJHWRJZEQFJMI-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCN[C@@H]1CCC[C@H](C(C)(C)C)C1	2216248492	XVIZXHTUUDBGBT-ICWYTKJFSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](O)(CCCCC(F)F)C1CCCC1	2216456032	CXOQSUGTQQBPGY-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C)C(=O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216746094	BPQXDXXUFBZISQ-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H](CCCC(C)(C)C)CNC1CCC1	2217139679	PIFMMGJYQCXYIA-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@H](CC(C)C)CC1CCCC1	2217140939	KVXLAQRTMSEZOW-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN([C@@H]2CCCC[C@H]2C)C1	2218144865	WCTFSNZGUQSNAU-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
N[C@@]1(CCCCC2CC2)CCCC12CCCCC2	2220027978	NTTVNOKYOPIKJE-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCNC[C@]1(CCCCC2CC2)CC=CCC1	2220032012	ZYPJKQDUJHUMTE-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCN[C@@H](CC1(C)CC(C)(C)C1)C1(C)CC=CC1	2221037366	DAYRVONDUAURDN-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(CNC[C@H]2CCCC[C@@H]2C)CC1	2221643156	MGRMQVJDTXYWPZ-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1	2222935205	XLJPRIGCCCAWAA-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
NC1CC2(CC[C@H]2CCCCCCCC2CC2)C1	2223159142	LKGKYFKHHMSHJK-KLAILNCOSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC(=O)CCCCCC[C@H]1C[C@@H]1C	2243923141	URVSEFBAUVICKU-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@@H](N)C(C)C	2244870259	YDKIZWHJYBRVNQ-HUUCEWRRSA-N	227.436	4.602	0	10	BJAE	
CCC[C@@H](CC)NCC[C@@H]1CCCCC12CC2	2246645411	XFLAFPLGJCUIQQ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@]1(C)C=CCCC1	2247169486	CYQCWQMHTYAYQP-IJEWVQPXSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)N(CC(C)C)C[C@H]1CCC1(C)C	2247378656	PFHWHHJORFOZQJ-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@@H]1CCCC12CC2	2247665552	PMDRHFRPQMPLIB-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(CCC2CC(=C3CC3)C2)c(F)c1	2247738411	QONPZMOYVYNWCW-UHFFFAOYSA-N	230.326	4.567	0	10	BJAE	
CC(C)CC[C@H](C)NCC(C)(C(C)C)C(C)C	2248374448	USSJCCACFVBLAO-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)C1(C)CCC1	2250482896	XCTXEABLNYIACR-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CCC(=O)C1CC(CC(C)(C)C)C1	2251530563	ARXHNFSBTNAMCU-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H](N[C@H]1CC(C)(C)CCC1(C)C)C(C)C	2251680607	DPCKGSNVYUPGJN-KGLIPLIRSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC[C@@H]2CCCCC23CC3)C1	2253883468	JULPXPNFEJOMRS-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@H]1CCCC[C@H]1CC1=CCCCC1	2255096338	KFUJOJBYLVURFF-DLBZAZTESA-N	249.442	4.683	0	10	BJAE	
C[C@@H](CC[C@@H]1CCCC12CC2)[C@H]1CC[C@H](N)CC1	2255257753	XKOWNTJIUFRRPP-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CCCNc1cc(C2CC2)ccc1F	2259114523	RVHSORIXJRRFNB-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](CC)c1ccc(C)cc1	2259464159	PUNSSJFAHOZDDS-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CC1CC2(C1)CC(C[C@](C)(N)CC1CCCC1)C2	2259572232	PQMKWXGBCAGKFR-XOJNLIDHSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1C[C@H]2CN[C@@H](C1)C2	2259678246	KJMCMRRCPXNCOL-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C(CCNc2ccc3ccccc3c2)[C@H]1C	2260446504	UWGRJIPHRTUSSG-STQMWFEESA-N	239.362	4.544	0	10	BJAE	
CCCC1CCC(CN[C@]23CCC[C@H]2CC3)CC1	2260561021	JEZXDQKGMMAKHC-GQGLESIBSA-N	249.442	4.515	0	10	BJAE	
CN(C[C@@]12CCCC[C@H]1CC2)C1(C)CCCCC1	2260572112	ZLWIJBVLNZVTJU-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
Cc1ccc(C(=O)CC[C@]23CCC[C@H]2CC3)cc1	2260576864	BFFHQGNQYAGIQQ-DOTOQJQBSA-N	242.362	4.538	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2260656196	FOPFODZVSLUXSG-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(CN[C@@]2(C)CC=CCC2)C1	2261200171	ZIEAWACWLJYXBQ-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)C[C@@H]1CCC[C@H]1C	2298224972	KMDQAYKECZOVES-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC1(CNC(C)C)CCCC1	2300675880	JCDGNNLISXQJIP-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC(C)(C)C)C[C@H]1C	2300703681	JCBYMWUGWLNZTH-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC(=CC[C@]1(C)CC[C@H](N)C1)CCCC(C)C	2300880553	NLGUMRZSKVUACV-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CC(=CC[C@H]1CCC[C@@H]1CN)CCCC(C)C	2300884216	POINZSMSNAPUKL-HZPDHXFCSA-N	237.431	4.524	0	10	BJAE	
CCC1(C)CCC(O)([C@@H](C)[C@@H](C)C(C)C)CC1	2301859338	PBMPYDCVEAIZFY-FXQLRMTLSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1[C@H](Nc2cccc3ccsc23)CC1(C)C	2302083359	OTTJNXHLABJULS-GXFFZTMASA-N	245.391	4.748	0	10	BJAE	
CCCCCCc1ccc(OC)c(C(C)C)c1	2302228480	FTZMUABUOWQTRL-UHFFFAOYSA-N	234.383	4.941	0	10	BJAE	
Cc1cc(-c2ccc(OC3CCC3)cc2)cs1	2302239175	QZHIPQVJCAKTGR-UHFFFAOYSA-N	244.359	4.655	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CCCC2=CCCCC2)C1	2302352384	SVZCZTDKYZSNKK-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@@H]1CC(C)(C)[C@H]1C	2303250010	QCMMDEFLWWAFKJ-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
C[C@H](C(=O)CC[C@H]1CCC(C)(C)C1)C1CCC1	2304434783	LCRNBFJCNOHQPR-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)CN(CC)C1CCCCCC1	2307752904	WUKTUQUQYMXBTR-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(O)CCC2(CCCC2)C1	2307839086	VRJPDSZKBPBRHN-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
N[C@H]1[C@@H]2CCCCCCCCCC[C@@H]2C12CCC2	2311922947	YOTYFDFRPDZQLO-PMPSAXMXSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](N)CC[C@H]1CCCCC12CC2	2312667630	NPAAZMUTTFMFBE-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2313292051	HPFLYQRVCZIVLF-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CCC(C)=CC[C@@H](N)[C@@H]1C[C@H]1C1CCCCCC1	2316508584	KWJHHAYUDWVBQB-GVDBMIGSSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CC1CC2(CCC2)C1	2316533344	YICWISWJTMIAOI-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC1(C[C@@H](N)[C@H]2C[C@H]3CCC[C@H]2CC3)CCC1	2316697461	LVCZGMMKHNTNMO-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316793772	YSVNMUNXBLZMCY-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2319124549	TZLHAKQHVIHENW-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC[C@H]1CC[C@@H]1C1CC1)CC1CCCC1	2319736745	HKUCWQMFCOTDDU-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CC[C@H]2C(C)(C)C)oc1C	2320225552	DDGLAFMAFRNMKZ-QWHCGFSZSA-N	248.366	4.542	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(N)C[C@@H](C)C[C@@H](C)C2)CC1	2320329772	VDWVRKFMQRPMJM-RMHZUWNSSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC[C@@H](C)N(C[C@@H]2CCC(C)=C(C)C2)C1	2320346500	FSSOIFRSIJSGSQ-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)C2CC=CC2)c1F	2327803317	ZXBLUNCHKWIRRN-GFCCVEGCSA-N	247.357	4.716	0	10	BJAE	
Cc1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1	1518002	ASXICOZSRYDFHY-UHFFFAOYSA-N	241.721	4.797	0	10	BJAE	
CCCCN[C@H](c1ccccc1)C(CC)CC	37107845	FIKFHUUFGSJGMT-INIZCTEOSA-N	233.399	4.554	0	10	BJAE	
CC[C@@H](C)n1c(C2CC2)nc2cc(Cl)ccc21	40407692	OMUCZDIVCDZTCU-SECBINFHSA-N	248.757	4.538	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCCCC1=O	71083852	PBZOXUXDIHOCGH-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
Fc1cccc(Cl)c1-c1ccc(Cl)cc1	80074511	IEOKCCNPBDTOCM-UHFFFAOYSA-N	241.092	4.800	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C3CC3)C2)c(C)c1	81623131	CKMRKOZUZPQCBS-HZPDHXFCSA-N	243.394	4.684	0	10	BJAE	
CCCCCC[C@H]1C[C@H](CCC)CC[C@@H]1O	82438349	ZFFYLOJEOBZPAH-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Oc2ccc(C)cc2C)C1	85155088	PALCAKUWLZQRDC-HUUCEWRRSA-N	232.367	4.651	0	10	BJAE	
CC[C@@H](Nc1ccccc1C(C)(C)C)C1CC1	86116952	UEBLDFYFECKCQU-CQSZACIVSA-N	231.383	4.585	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C)CC2)c(C)c1	86878041	MXPJMZJMVLXDLE-IUODEOHRSA-N	231.383	4.684	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@@H](C)CC2)c1C	86879252	JGYIGQXJANXPAU-DOMZBBRYSA-N	231.383	4.684	0	10	BJAE	
CCCCCCN[C@H]1CCC[C@H](C(C)C)CC1	86923289	BWOQWTHDQMSUDM-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
Clc1ccccc1NCCC1CCCCC1	87473318	XXJAQYVOHSNVEG-UHFFFAOYSA-N	237.774	4.722	0	10	BJAE	
CCC1CCC(C(=O)c2cc(C)ccc2F)CC1	87934058	GWFLWTHDTVVEJL-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCc1ccccc1N[C@H]1CCCCC1(C)C	94274177	NSDCPUSJXFAUOC-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
Cc1ccc2[nH]c(=S)n(C3CCCCC3)c2c1	94659853	SMUXMIHBTDYPKX-UHFFFAOYSA-N	246.379	4.513	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1ccc(CC(C)C)cc1	94902141	KXRKAEXJEBELMG-WMLDXEAASA-N	248.410	4.745	0	10	BJAE	
CCC(=O)CC[C@@H](CC)c1ccc(C)c(C)c1	107529278	GAPJFBGWYIEXCL-CQSZACIVSA-N	232.367	4.556	0	10	BJAE	
CC[C@H](N[C@@H](CC)C1CCCCC1)c1ccco1	109951487	PLPGOLIGAWFUKQ-GJZGRUSLSA-N	249.398	4.679	0	10	BJAE	
CCC(/C=C(/CNC1CC1)C1CCCCC1)CC	125553044	GLCKMAVFCIMJJX-VBKFSLOCSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccc2ccccc2c1	163826157	PGJUKBJIJATURG-CXAGYDPISA-N	239.362	4.830	0	10	BJAE	
CCCCC[C@@H](CCCC)NC(C)(C)C	215415966	WBKFDWGCSKQNAD-CYBMUJFWSA-N	213.409	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@@H](C)C1	216367383	JVDMVMOMILMLIT-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)N[C@@H]1CC[C@@H](CC)[C@@H]1C	225204665	OVRSDWGQKIMRRN-DGADGQDISA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@H]1CCC[C@@H]1C	226819098	FBGIGLSCWFFZOJ-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H]1CCC12CCCCC2	230171037	OJLITVZISPOFMD-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CN[C@H](C)C2CCCCC2)C1	235675267	DQQITTCKAJQWPC-BMFZPTHFSA-N	249.442	4.537	0	10	BJAE	
Clc1cccc2c([C@@H]3C[C@H]4CC[C@H]3C4)c[nH]c12	300256917	FAWMFIGVQJTZDZ-JBLDHEPKSA-N	245.753	4.725	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@H]2CCC[C@H]2C)cc1	300285249	KNGQAGIEHYXFNX-RMHZUWNSSA-N	246.394	4.670	0	10	BJAE	
c1cc(CCC2CCCCC2)c2c(c1)NCCC2	302241052	DPMISRSLNLFDJO-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccc(C(C)(C)C)cc1	302332294	IDSYZAZYRMPQRA-CZUORRHYSA-N	248.410	4.844	0	10	BJAE	
CCc1ccccc1N[C@@H](C)CCC(C)(C)C	302544029	UIJNYIBQOJULFU-ZDUSSCGKSA-N	233.399	4.876	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1cccc2ccccc12	302605736	XAZZIRLPBMGTLY-ZDUSSCGKSA-N	240.346	4.705	0	10	BJAE	
Clc1ccccc1CSc1cccs1	303343549	FTCNRSYKOORELX-UHFFFAOYSA-N	240.780	4.694	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)C)c1ccccc1	305950153	MWVSWDOKQPWWON-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CC(CC)CC)NC	308053781	OIEBUQANUVNCOD-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCCCCC(=O)c1ccc(Cl)c(C)c1F	309271905	RGXIVRVGUPJTIV-UHFFFAOYSA-N	242.721	4.551	0	10	BJAE	
Cc1cccc2c1ccn2[C@H]1CCC[C@@H](C)C1	310043544	VYJIVSBYJKLCHT-OCCSQVGLSA-N	227.351	4.701	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@@H](C)CC(C)C	310109126	OPVZZEGXMBLVTE-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC1(CC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1	310822980	KCSCGTPQAAFMRO-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCc1ccccc1[C@H](O)C1CCCCCCC1	310828292	JNFVSUNRKYLHTG-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC/C=C/c1ccccc1	324242846	GXQQYXLVUUTMMZ-AYAUWGRQSA-N	245.410	4.634	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCC[C@@H](C)C1)C1CCCCC1	383687429	SELJDORXOMQDDJ-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CC1(C)CCC1)C1CCCCCCC1	383705102	SQYHHCVRJJHPGU-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCC2=CCCCC2)C1	384862053	OOGQKHPZOBSZKJ-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1ccc2sccc2c1	386610365	HWSKYMGONASUIW-RISCZKNCSA-N	248.391	4.761	0	10	BJAE	
CC1(C)CCC[C@@H]1CN[C@H]1CCC12CCCCC2	388821108	BGDIGNOZEXLNQO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)CCC1CC1	395637156	WIVHGWLXWVFLJV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCc1cc2c(C(F)F)ccc(F)c2s1	396198930	OMVSAYKOCIMJGR-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@H]1CC1=CCCC1	400629544	KPEDWPRNYSQRRL-IRXDYDNUSA-N	249.442	4.683	0	10	BJAE	
C1=C(C[C@H]2CCOC3(CCCCC3)C2)CCC1	401067936	IJTVBLIIDKZQRM-OAHLLOKOSA-N	234.383	4.616	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1ccc2c(c1)CCCC2	404640722	LJKJILLMCBNDHK-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
CCC1([C@@H](O)c2ccc(C3CCC3)cc2)CCC1	687579859	GKOPFIFGVPBIRF-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CCC1([C@H](O)c2ccccc2C2CCC2)CCC1	687580473	MDWKUIYTXMZJFV-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H](C)CC(F)F	688814916	ZBELKZIYAJHBKV-NWDGAFQWSA-N	248.357	4.699	0	10	BJAE	
CCCN[C@@H](c1cccc(C(C)C)c1)C(C)C	688920625	KYVWQOCFVXGAHK-MRXNPFEDSA-N	233.399	4.507	0	10	BJAE	
CCCC1(CN[C@@H](C)CC2CCCC2)CCC1	689809008	PBZFWMPPFFRRSB-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC1(CNCC)CC=CC1	690487396	ZOZCCZSVIBMQGM-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC[C@H]2C)cc1C	691076827	YAHCXNPBWDRAKR-CZUORRHYSA-N	231.383	4.684	0	10	BJAE	
CCCCCC[C@]1(O)CCCCC[C@@H]1C(C)C	691127959	NPPYGDUGVUMKBO-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCC23CCCC3)cc1	694405002	STQQNRKEGZTOPF-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C1CCC2(CC1)CC2	695616030	YWDIQAVGFWIUTG-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C1CCC(C)CC1	696250245	RTBCWUUHNTWVJW-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](CNC)c1ccccc1C	696686588	JDZGQGPZZYFVCT-OAHLLOKOSA-N	247.426	4.514	0	10	BJAE	
CC(C)=CCCNc1cc(C)c(Cl)c(C)c1	697774603	GOSHSDBOJXIUOZ-UHFFFAOYSA-N	237.774	4.725	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@@H]2C[C@H]2C(C)(C)C)cc1	699951134	FNBMHNULAJPYEL-OAGGEKHMSA-N	246.394	4.526	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@@H]2CCC[C@H]21	707808824	IBNMFLWDSDJRLT-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H](N[C@@H]2CC23CCCCC3)CC(C)(C)C1	708788108	LOZNBLRHOPXCKD-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCCC1=O)CC(C)(C)C	709273154	MVZUQSBOOTWORS-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC(C)CC[C@@](O)(CC(C)(C)C(C)C)C1CC1	713145452	IVFPXYGDFJQREZ-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C[C@H](N)CC(C)(C)CC)C(C)(C)C	713235790	UHGHHBIJMJKQRG-STQMWFEESA-N	227.436	4.602	0	10	BJAE	
C=C/C=C\CC[C@@H]1CCCCC[C@@H]1CNCCC	713711009	QFHJGHOQJPQEFH-MBZYTVFJSA-N	249.442	4.705	0	10	BJAE	
C=C/C=C/CCCC[C@H](NCC)c1ccccc1	713726643	HZHXLVZQXQTAID-RTRPANQVSA-N	243.394	4.640	0	10	BJAE	
CCN[C@H]1CC(C)(C)CC[C@H]1CCCC(C)C	717531542	JNMSQOLPOSTZLN-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C1CCC(C)(C)CC1	718655406	XSJWHUCTXSUKEE-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)CCC[C@]1(CO)CCC=CCCC1	719066664	RTBAWDVCZCFWPQ-INIZCTEOSA-N	238.415	4.702	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC[C@]12CCCC[C@H]1C2	719263786	DJJGBTVQTRVAMP-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC2(CC2)C1)C1CCCCCC1	723604656	YNYUFUOCWQGERW-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CC)CNC1(CCCC)CC1	1198555477	ZRCWLRPUMCYBRQ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)CCCN(C)C[C@@H](C)C1CCCCC1	1647987128	PKCYFADNYZHCDK-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](C)CCN[C@H](CC)C[C@@H](C)CC	1653035494	SRIJNLNWRBLVSH-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
C/C=C/CCCC[C@@H](CC)CC(F)F	1885365735	ZKWSBGAVAMHFRN-JOAKQRRISA-N	204.304	4.804	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)CCC(CC)CC	1900700326	CMEPXRRTXJJSNY-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC(=O)CC(C)(C)C1	1905457217	YEQMUISOHASNJT-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCCCC[C@H](CCC[C@@H]1C[C@@H]1C)NCC	1908570188	IXZFILPGBBEDTB-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC=CC[C@H](CC)c1ccc(F)c(F)c1	1911818991	NLTWCPFTEDWXHH-NSHDSACASA-N	224.294	4.815	0	10	BJAE	
CCC1CCC(C2(N)CC3(CCCCC3)C2)CC1	1912729819	VAHLEYZNLUZOMD-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@@H]1CC1CCCC1	1913403472	JSVFRQVQESBRSI-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@]1(N)CCC2(CCCCC2)C1	1915923401	KMKATIGWWKCTRE-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@@H]1[C@H](C)C[C@H](C)C[C@H]1NCCC	1916066310	UNVUZFBPBLPDPT-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(O)CCC2(CCCC2)C1	1916435209	DCFKLSBXXUWBJS-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](O)(CC)c1cccc2ccccc12	1919474753	ADTZIZGJKWPCSG-QGZVFWFLSA-N	242.362	4.628	0	10	BJAE	
C[C@@H](C(=O)[C@H]1CCCC[C@H]1C)C1CCCCC1	1924080015	ZZYBFBNMYXJYGH-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)[C@@H](C)C1CCCC1	1924114615	APSNYUVPXLFMET-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC[C@@H]1C=CCCCC1	1925820212	OUENEMGZOMFMKH-KFWWJZLASA-N	206.373	4.949	0	10	BJAE	
CC(C)=CCCc1cc(Cl)c(C)cc1F	1925882809	VFJCCZKACZEIGT-UHFFFAOYSA-N	226.722	4.686	0	10	BJAE	
CC[C@H](NC[C@@H]1C=CCCCC1)c1cccs1	1925917560	MYZZXBYLIGJPKH-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CCC(CC)CCNCCC1CCCCCC1	1926171846	BDUQVJNIWPVEGD-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCN[C@H](CCCC(C)(F)F)CC(CC)CC	1926172260	BZZMZVPRAVGWDC-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)CCNc1cccc2c1CCCC2	1926178203	RNHUORHSAAQPJI-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
Cc1ccc(C(=O)CC2(C)CCCCC2)s1	1935605917	NBPRPJDQUXFLDR-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CC(C)Cc1oc2c(ccc3ccsc32)c1O	1941158438	WRUSNZDXMQUFOP-UHFFFAOYSA-N	246.331	4.552	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)[C@H](C)CCC(C)C	1942655619	JOBRSCRCCNWPEV-LVQVYYBASA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@H](C)O[C@](C)(O)CCCCC	1942890188	UNIRQIJOOWABNB-GJZGRUSLSA-N	244.419	4.651	0	10	BJAE	
C[C@H]1CC(C[C@H](O)CCC(C)(C)C)C[C@H](C)C1	1944199349	MLLAEDGKVLLPFK-UMVBOHGHSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Cn1ccc2cc(Cl)ccc21	1944799166	KAILBWPKJGEJLR-DGCLKSJQSA-N	247.769	4.731	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC(C)(C)CC(C)C)C1	1946979836	RSJWQCXJCRDRME-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC1(CC)CCCC1	1947459600	ISTYZUISQGXUOU-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C1=C[C@@H](NC2CCCCCCCCC2)CCC1	1947868164	YNDFTAXBSXQYEG-MRXNPFEDSA-N	235.415	4.578	0	10	BJAE	
CC[C@@H](NC1CCCCCCCCC1)C(C)C	1947881106	KTYUGNGWEBEGHW-MRXNPFEDSA-N	239.447	4.904	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C[C@@H](C)CC(C)(C)C	1948324069	VNXMRYDRNPUKAJ-OFQRWUPVSA-N	242.447	4.882	0	10	BJAE	
CCC[C@H](NC[C@]1(C)C=CCCC1)[C@@H]1CC1(C)C	1967836135	BADLXJDFYZUJLW-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N[C@H](C)CCCC(C)C)cc1C	1968255370	WEMWMBGBNLCMQR-OAHLLOKOSA-N	233.399	4.930	0	10	BJAE	
Cc1ccc(-c2nc(C(C)(C)C)cs2)c(C)c1	1968435388	KEGHAYLBKQKOSD-UHFFFAOYSA-N	245.391	4.724	0	10	BJAE	
CSc1ccc(N[C@H]2CCC3(CCC3)C2)cc1	1968456675	NAAZSPFCZPPHQG-ZDUSSCGKSA-N	247.407	4.543	0	10	BJAE	
CCCC1(CN[C@@H](CC)c2occc2C)CCC1	1971565709	FBXGGMCXKIWWCX-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
C[C@@H]1CC[C@@H](N[C@H]2CCCC3(CCCCC3)C2)C1	1971670936	SDQRUQZNDOIJNS-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC(NC2CC3(CCCC3)C2)CC1(C)C	1972925365	SINFAACDMHQDJX-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC[C@H](N)c1cccs1)CC(C)(C)C	1980687891	RBRIPVOAWVXYCE-NEPJUHHUSA-N	239.428	4.600	0	10	BJAE	
CC[C@H]1C(=O)CC[C@H]1CCCCCC(C)C	1984370798	XIQKSQWGMCIUJD-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCC1(C[C@@](C)(O)CCC(C)(C)C)CCC1	1988433180	OWYBKZROVPFDRH-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
c1cc(N[C@@H]2CCC[C@H]3CCCC[C@@H]32)cs1	1993370165	VSEZERWXLGCWMC-KWCYVHTRSA-N	235.396	4.519	0	10	BJAE	
Cc1cnc(-c2ccc(C3CC3)s2)cc1Cl	1993669779	UFSFXJISVUWFQU-UHFFFAOYSA-N	249.766	4.649	0	10	BJAE	
CC=CCCC[C@H](N)CC[C@H](C)CCCC	1995264671	WHNOBQFBDVVHIC-CABCVRRESA-N	225.420	4.667	0	10	BJAE	
CCCc1coc2c(C)ccc(C(C)C)c12	1995444676	NWCHDUVJUYRWRM-UHFFFAOYSA-N	216.324	4.817	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](C)C1(C)CCCCC1	1995991007	MCEZRYZPVPSNOC-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)CCC1CC1	1996365437	ZOIIGWCVSSZXSJ-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H](C)[C@H](C)CC)CC1	1997105456	MTNKFGJAOZHZCR-TUVASFSCSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)C2CCCCC2)CC1	1997205694	QFOPAMDENANJLO-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
C[C@H](CN[C@@]1(C)CCCC1(C)C)CC(C)(C)C	1997356731	NXMXOCVBQITWJF-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(=O)C[C@@H]1CCC=CCCC1)C(C)C	1999989110	XBLTVCZMOFDARB-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
CC1(C)CCC[C@@H]([C@]2(N)CCCCC2(C)C)C1	2000062704	OAZJQVJJEAAEBJ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C)c(O[C@H]2CCCC(C)(C)C2)c1	2000108379	ZBPWZBVIYYQIOH-AWEZNQCLSA-N	232.367	4.651	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)c2c(C)csc2C)C1	2000181274	FXASDXLVEXWJKJ-RNCFNFMXSA-N	248.391	4.540	0	10	BJAE	
C[C@H](NC1CC2(CCCCCC2)C1)C(C)(C)C	2000673474	WDQKMUDMZPXIGH-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1CC1(C)CCC1	2001153947	OJQQMYZGYVBVSR-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1CC12CCCC2	2001232192	QVQRAWFNSBQOFU-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002199324	IHFHLTXTNVYAJZ-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC(=O)[C@H](C)C1CCC(C(C)C)CC1	2002925650	NENXLVQGJVIGLE-WLYUNCDWSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C[C@@H](C)C(C)(C)C)C1	2003016724	QFVYLDHEJREJCK-KQTLUZQSSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC1CCC2(CC1)CC2	2003221600	PZXSZKGJBFXCFC-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCCN(C1CCCC1)[C@H]1CCCC(C)(C)C1	2003815616	HXWVDBLSTFIJLH-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CC=CCCC[C@@H](CCC1CCC1)NCCC	2009588151	IQTREABOCPSJSW-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCC2(C)CC2)CC1	2009611653	ZNXPRXKUVKRLRH-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@H](N)C1(CC(C)C)CCCC1	2009618713	DZQGNODDTZJJPR-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCCC[C@@H](CC1CCCCC1)NC	2009620726	XQWVPGJZGNODOG-CWDCEQMOSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1CC(=C2CC2)C1	2011068515	OZWZRXYJGVBTIT-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](CCC12CCC(CC1)CC2)NC	2012832981	APXXDEAENRTUJC-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(CC[C@@H]1CC[C@@H](C)C(=O)C1)C(C)C	2015390363	KSSJCYCAXKTZHU-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CCCC1(C[C@@](C)(O)C2(C)CCCC2)CCC1	2015642553	RJEMRIFXWURWDM-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CCC1(C(C)C)CCC1)NCC	2017145736	LQUKCJDTQYFGBO-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](C(C)=C(C)C)c1ccc2sccc2c1	2017486454	KPQBPMYMRKXBQY-OAHLLOKOSA-N	245.391	4.518	0	10	BJAE	
CCCC1CCC(CC2(O)CCCCC2)CC1	2017648098	KJTQGQOIWVUZKS-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC1CCC(C[C@H](O)[C@H](C)CCC)CC1	2017650183	DMEMOOYNUOUNRV-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H]1CC[C@H](CC)CC1	2017728192	IRFZKAVEWKKURR-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H]1C[C@@H]1CC(C)C	2018128254	XRUDAGYOCXFKSH-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@H]2C[C@@H](C)Nc3ccccc32)CC1	2019002723	UTHAHXAMHAPPQD-CHWSQXEVSA-N	229.367	4.555	0	10	BJAE	
CCCC1(C[C@H](CC2CCCC2)NCC)CC1	2019007220	YTFHFQBFBCFPID-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(N2CCCCC[C@H]2CC)CC1	2019162516	CREAJGNTBZDRTE-HWOWSKLDSA-N	237.431	4.610	0	10	BJAE	
CCCN[C@@H]1[C@H](C[C@@H](C)CC)CCCC1(C)C	2020365833	YWQLERYGEQFOIA-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CCC1)C1(Cl)CC1	2021026887	ILWAJNNNLAVMCO-LLVKDONJSA-N	249.785	4.526	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC[C@H](O)CC1CCCCC1	2022527524	AFLGUTDWRJVDPZ-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C(=O)C[C@H]2C[C@@H]2C(C)(C)C)CCC1	2022556620	HQAVCQJJYFNNJP-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(N)C[C@@H]1CCCC(C)(C)C1	2024097128	WWXPJSIEFRNGDA-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC1(C(=O)C[C@H]2CCCC(C)(C)C2)CC1	2024101823	NLRSEOOOQJJBTR-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC(C)(C)C(F)F	2026078999	JTSPWOXVHQWYJI-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC1(C)CCCC1	2026145548	QEMNFZNLBIXAHM-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NCC)c1ccco1	2026171160	UNZRTAFAPAHYSD-ZIAGYGMSSA-N	237.387	4.537	0	10	BJAE	
Cc1cccc(C)c1C(=O)CC1(C)CCCCC1	2027298137	WLLRJYKEDLUAGO-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CC1(CCC(=O)c2ccccc2C2(C)CC2)CC1	2028568285	HRLFMXDRGKYARP-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CC1(C(=O)c2ccccc2C2CC2)CCCCC1	2028576851	RHOLPTFDCKKELU-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)C2(C)CC(C)C2)cc1	2029104361	IOGGWQIVTSHBOV-MITNXELNSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2CC(C)(C)CC3(CC3)C2)C1	2030285957	BVYMMIWCHSTSOY-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c([C@H](O)C(C)(C)C2CCCC2)c1	2032275039	ZWZBFBPIVFFUDA-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc([C@@H](O)C(C)(C)C2CCCCC2)cc1	2032276441	OHYUVJDKTBRQQV-MRXNPFEDSA-N	246.394	4.635	0	10	BJAE	
CCc1ccccc1N[C@@H]1CC[C@H]2CCCC[C@H]21	2034264973	SUJQVLHCRDEPFB-BFYDXBDKSA-N	243.394	4.630	0	10	BJAE	
CC(C)CCCC(=O)c1ccc2c(c1)CCCC2	2035257229	IJALLOGTZYFOLZ-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CCc1occ(C)c1C(=O)CCC(C)(C)C1CC1	2035531555	JEIYTBPUVXUAMP-UHFFFAOYSA-N	248.366	4.550	0	10	BJAE	
CC(C)CNCC1(C[C@@H]2C=CCCC2)CCCC1	2035593186	PLVLGJFKSQDRSM-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC(C[C@H](N)[C@H]2CC23CCCC3)CC1	2036100286	JMTHFRYRCKXNDV-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)[C@@H]1CCC(C)(C)C1	2037705644	VQKVSJYIYSPEGJ-JJRVBVJISA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)CC1CC(C)(C)C1	2037969954	MQDCSGOYCXWOOG-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCC1CC2(CC2)C1)CC1CCCCC1	2038165977	NXTFLQLUAPDKAG-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@H](C)N[C@H]2CCCC3(CC3)C2)CC1	2040636295	PVEMDCPHDZTSHA-GRAKBVBRSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2C=CCCC2)CC1	2041375495	IPFFWRSAOIJKGE-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@H](CC1(C)CCCCC1)C1CC=CC1	2042025924	ZKVZVLKKLTWTHM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCCCc1ccc2c(c1)C[C@H](CCC)CN2	2042330033	CNCUEPBWZMABGZ-HNNXBMFYSA-N	245.410	4.804	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H]1CC(C)(C)C[C@H]1C	2043195119	RMZMICDMVXRPGQ-FMKPAKJESA-N	249.442	4.680	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC=CCCC1)C1CCC1	2045324290	UCVKXSUTRJHOLE-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(N(C)C[C@@H]2CCC=CCCC2)cc1	2046558424	PDQLNQMUXSJDGS-MRXNPFEDSA-N	243.394	4.568	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2047345435	JTMPDJJZDSMFTA-PEHJNBARSA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@H]1[C@H]2CCC[C@H]21	2048447576	XZHHWHBIUUFUSL-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(C(=O)[C@H]2CC[C@H](C)CC2)cc1	2049639126	ZCMFZNYOONYWTH-CTYIDZIISA-N	244.378	4.648	0	10	BJAE	
C1CCCCC(NCC[C@H]2C[C@@H]2C2CC2)CCC1	2049681849	QAEIDGIEMOMIHZ-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCCC1)NC1C2CCCC1CCC2	2050043423	KAMNYPGCVXZVIN-AXTFLNQGSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CC[C@H](C)CC(C)C)c1cccc(C)c1	2050442065	SLBLOAYNQMEOEY-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1(C2CCC2)CC1	2051904187	BEWPBFSWOBTXFU-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCCC12CC2)C1CCCC1	2053347014	RQWBHFGRBZVPLK-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CC(C)(C)CC[C@H]2C)CCC1	2055547204	RVGBPCOTJGXYRR-BMFZPTHFSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)[C@H](NC[C@@H]2CCCC(C)(C)C2)CCC1	2055551356	GVMPLNFAKDBBTF-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CCC(Nc2ccc(CF)cc2)CC1	2055676395	AXJKJHKQQSQRKZ-UHFFFAOYSA-N	249.373	4.927	0	10	BJAE	
CC(C)(C)c1ccccc1NC1CC(C2CC2)C1	2056688368	ZXUUVMJVFNHNDL-UHFFFAOYSA-N	243.394	4.585	0	10	BJAE	
N[C@]1(C=C2CCCCC2)CC[C@@H]2CCCC[C@@H]2C1	2056908918	YNTUCDGTHKSKTM-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)c1ccc(C)cc1	2059249551	IODDCTJBJRYJFO-YXMMZVCTSA-N	245.410	4.782	0	10	BJAE	
CCCC1CC(N[C@H]2CCC3(CCCCC3)C2)C1	2059393961	NXCTVUFPXIXRTI-PCKAHOCUSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C)CC1)C1(C)CCCCC1	2060920136	BYBSPIVLYAWOOJ-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CC[C@H](CC)C1	2060925129	IXLDQSFTMSSXIQ-XJNFMUPTSA-N	249.442	4.537	0	10	BJAE	
CC1=CCCC[C@]1(O)C1=CC[C@@H](C(C)(C)C)CC1	2061097255	APPMWBMQZJLRNZ-RHSMWYFYSA-N	248.410	4.620	0	10	BJAE	
CC1(C[C@@H](O)C2CC(=C3CCC3)C2)CCCCC1	2061639498	IFJFPHMJYDLANA-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)C1(CC(C)C)CC1	2069511282	MTYQNIPSEHVMAH-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
N[C@H](C1=CCCCCCC1)C1(CC2CC2)CCC1	2069518722	CZGABHKXFLBPEJ-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)CC[C@H]2C[C@@H]2C)cc1	2072081800	LMUZHXSQRMFHRM-XEZPLFJOSA-N	244.378	4.819	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2CC[C@H](C)CC2)C=CCC1	2072802732	AOWZDSPFAKUTNR-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2072869375	PTECORFHPBQWCF-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(COc2cccc(C)c2)CC1	2072879685	WFHNHUVNTYEOCN-UHFFFAOYSA-N	246.394	4.980	0	10	BJAE	
CC(C)CCCCC=C1CCN[C@@H](C2CCC2)C1	2073795218	QDFDJAQXXKYOSA-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@H]1CCC2(CCC2)C1	2074896504	PZIHPMHDLQNRSC-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CC1CCC(N2CC[C@@H]2C2CCCCCC2)CC1	2075113776	FCVLXAZNESGVCY-BDVYOWHSSA-N	249.442	4.610	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@@H]1CCCCC12CCC2	2077198171	YJKUXLUVPBTVQD-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1	2079490742	DMTAJLQAEIPATE-AHNOJICISA-N	248.410	4.598	0	10	BJAE	
CCC1(NC[C@H]2C[C@H]2C2CCCC2)CCCCC1	2079649792	GUTIJEOFHSKOOB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@H](N)C[C@H]2C[C@@H]2C2CCCCC2)CC1	2079726236	RNBXRUTZOGQAAK-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
FC(COc1cccc2ccccc12)=C1CCC1	2081595702	ZCLIXTJIOSNIGI-UHFFFAOYSA-N	242.293	4.626	0	10	BJAE	
C1=C[C@H]2CC[C@@H](C1)[C@@H]2Nc1ccc2ccccc2c1	2104385094	WBCIBAGBHOLACX-HDMKZQKVSA-N	249.357	4.606	0	10	BJAE	
CCCCC[C@](N)(CC)c1cc(C)sc1C	2211641738	MHDVKEHIBSUDEO-CQSZACIVSA-N	239.428	4.509	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H](C)C1CCC1	2212645377	UMCYULUJGYVWDO-JTQLQIEISA-N	237.774	4.503	0	10	BJAE	
CC(C)(C)CCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2213281170	GDSPSCQWUSYSKJ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@](N)(CCCCC1CC1)C1CCCC1	2214565172	KRVDRKAPAFZOSA-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CCC[C@H](C(C)(C)C)C1	2216258461	PWZDXLFWJKBNOF-AJNGGQMLSA-N	239.447	4.616	0	10	BJAE	
CC(C)(F)C[C@@H](O)CCCCCCCC1CC1	2216863617	QKVJXXURLKNAFS-AWEZNQCLSA-N	244.394	4.626	0	10	BJAE	
CCCC[C@](C)(CN[C@H](C)CC)C1CCCC1	2217128647	KQJGYQKUKTVARE-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CN[C@@H](C)CC)[C@@H]1CCC(C)(C)C1	2217142403	PZUZVUSDZIADDY-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218304828	OEECNUMOKNECOB-HGTKMLMNSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(=O)[C@@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218334489	RSMMGYJTCJRUDG-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cc(NC2(C)CCCCCC2)ccn1	2220892851	LSYGZRPSNUCIOL-UHFFFAOYSA-N	246.398	4.730	0	10	BJAE	
CCCC1(CN(C)C[C@]2(C)CC=C(C)CC2)CC1	2221606003	ZKXBGFPZMZMMOA-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](N[C@H]2CCCC23CC3)C1	2222254202	AWTZSCXSLKCKQS-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CN(CC=C1CCC1)[C@@H]1CCC[C@@H](C(C)(C)C)C1	2222268753	QYYRHIQJFDDWJN-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@@H](C)c1ccc(C)cc1	2223963641	KPJYUVAJIJXXLD-ZOBUZTSGSA-N	247.426	4.513	0	10	BJAE	
CC[C@H](C)[C@H](N)CC[C@H](C)CCCC(C)C	2244846967	JLORRYAUMRUISO-QLFBSQMISA-N	227.436	4.602	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1cc2ccccc2s1	2246859677	XZIWHOPYPNLQJE-IAQYHMDHSA-N	248.391	4.761	0	10	BJAE	
Cc1ccc(-c2cc(C=O)cc(C(C)C)c2)s1	2247237260	NCHJYNIZJVEKLY-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2C=CCCC2)c1	2249295018	NOLDLGKRYKCGRN-CQSZACIVSA-N	229.367	4.505	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C[C@@H](CN)C(C)C	2250477717	AOQYZFJGJGUZIT-CVEARBPZSA-N	239.447	4.626	0	10	BJAE	
CNC(C)(C)[C@@H](F)CC[C@@H](C)CCCC(C)C	2250481057	JOPFOXFPTCYBHO-KBPBESRZSA-N	245.426	4.565	0	10	BJAE	
CC[C@@](C)(CC[C@@H](C)CCCC(C)C)C(=O)O	2250494239	ABDNOBKUKMRIQJ-ZFWWWQNUSA-N	242.403	4.730	0	10	BJAE	
CCCN[C@H](CC)CC[C@@]12CCCC[C@H]1CC2	2251194229	IIVHGJZKDBXZIF-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCCCC12CC2)C1CCC1	2253833960	UXKUFZWYEKDECI-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@@H](C)C1)C1(C)CC=CC1	2254000021	ARGWQJNXBBOBNL-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1CCC12CCC2	2254967197	WFTGOAUTEGECKX-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CC2=CCCCC2)CC1	2255143849	MXKHTQQWSGNVIT-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@H]2CCCC23CC3)CC1	2255222220	AHGRLDSMPUGPSR-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC12CC2)CC1(CC)CC1	2255227819	PVYWGINIKQQLBX-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCC1CC1)CC[C@@H]1CCCC12CC2	2255251856	SRDUKTVDEMDYTB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CCCC1)CC[C@@H]1CCCC12CC2	2255290668	IJQRDRUMSVEMGF-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCc1occc1C(=O)CCCCC[C@@H]1C[C@@H]1C	2257283993	PQTLONQLFLWTBY-QWHCGFSZSA-N	248.366	4.631	0	10	BJAE	
CCN[C@H](C1CCCCC1)[C@@]12CCCC[C@@H]1CC2	2260495796	ZQMUQIGNCFXPQL-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@@]23CCC[C@@H]2CC3)C1	2260509078	SYPJUYGOOVNKEG-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CN[C@]12CCCC[C@H]1CC2)C1CCCC1	2260540871	VRDBHUPLIZDMFF-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
C[C@]1(C(=O)C[C@]23CCCC[C@H]2CC3)CC=CCC1	2260568652	LCYRPJQJZDEMLN-BHYGNILZSA-N	246.394	4.662	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1CCCC12CCC2	2300679791	XDWMDEDWZYAWFF-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)NCC1(C)CCCCCC1	2301687483	BKXJOSANEOKWOC-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](O)CCCCC1CC1	2302587662	UFXRIFVHWYXBID-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@H]1C[C@H](F)C1	2307398878	XUJIHUICBGZXNR-IHRRRGAJSA-N	242.378	4.546	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](C[C@@H]1C[C@H]1CC)NCC	2307896643	WIOCCCVGQLSZCT-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2C[C@H]2C2CCC2)C1	2311480217	TVTOXKLRYIYAET-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2C[C@H]2C2CCC2)CCCCC1	2311515866	VWPXUEWRKJHQPT-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2311608859	BMYGLGAMMPPYHA-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2311611259	RLOAVUSYJUSIET-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(C[C@@]23CCC[C@@H]2CC3)C1	2313353654	RYMOJCXWJABODT-YVSFHVDLSA-N	249.442	4.502	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H](C)CC2CCC2)c1	2313643760	ZWSIXJKHLNMAMY-CYBMUJFWSA-N	244.378	4.621	0	10	BJAE	
NCC1(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCCC1	2316880794	LBNIBHLEYOMLPH-JYJNAYRXSA-N	249.442	4.502	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316881755	SMENLISTPFJKFF-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@H]1CC(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316881757	SMENLISTPFJKFF-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317121397	LDAPSIZPKBANBB-KLHDSHLOSA-N	248.410	4.764	0	10	BJAE	
O=C1CCCC[C@@H](C[C@@H]2C[C@H]3C=C[C@H]2CCC3)C1	2317212050	QKHFDPWNKUMJSV-QXSJWSMHSA-N	246.394	4.518	0	10	BJAE	
CN[C@H](CCC[C@@H]1C[C@H]1C)CCC1=CCCCC1	2317905974	CNVJUHNZIDFUIF-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
N[C@@H]1CCCCCC[C@H]1CCCC1=CCCCC1	2318538589	JHLYGNFSXQWXMT-DLBZAZTESA-N	249.442	4.955	0	10	BJAE	
C[C@@]1(CCC2C[C@H]3CCC[C@H](C2)C3)CCCCN1	2318830650	WSAVPNCIVXVURP-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CNC[C@]1([C@@H]2CCCC[C@H]2C)CCC(C)=C(C)C1	2320266998	ZDVFVMLWWVHZJW-OIISXLGYSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C1CCC1)N(C)C[C@H]1CCC(C)=C(C)C1	2320335172	ASXJESVZWZFRPI-DOTOQJQBSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H]2CCCCC2(C)C)CC1	2320411760	FXQQDPWIPZPOOC-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(N[C@H](CC2CC2)C2CC2)c1	2320616789	NVWJITPHANCKPO-QGZVFWFLSA-N	243.394	4.801	0	10	BJAE	
CC(C)CC12CC([C@]3(N)CCCCC3(C)C)(C1)C2	2321594814	IBHDCPONZRESJI-JCYILVPMSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@@H]2CCC2(C)C)c1	2327673210	MZNHBHURAVOASC-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)CC[C@@H]2C[C@@H]2C)c1	2327780571	CVHCLAFSNNPZED-UONOGXRCSA-N	244.378	4.737	0	10	BJAE	
CC[C@@H](Nc1cccc(F)c1)c1ccc(F)cc1	19995422	CIMDNODNRSMOIT-OAHLLOKOSA-N	247.288	4.528	0	10	BJAE	
CC(C)=CCC[C@H](C)[C@H]1C=CC(C)=CC1	62233810	KKOXKGNSUHTUBV-GJZGRUSLSA-N	204.357	4.891	0	10	BJAE	endogenous,in-man
CCCC[C@H](CC)N[C@H](C)c1ccc(C)s1	68987110	KVVDDECWQWYONL-OLZOCXBDSA-N	239.428	4.676	0	10	BJAE	
CC[C@H](CC1CC1)N[C@H](c1ccccc1)C(C)C	70106297	POUATTBHZZNKML-SJORKVTESA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(N)CCC(C)(C)CC1	79657476	DUIGZLCKQWVILK-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@H](C)C[C@@H]2C)c(C)c1	85098710	SGCAJSPDOVGMAX-DETPVDSQSA-N	245.410	4.848	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@@H]1Nc1ccsc1	85527753	BMDWAYXCTWTILE-STQMWFEESA-N	237.412	4.765	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CCC[C@H](C)C2)cc1C	86494057	KYXRANITVUBNJL-NHYWBVRUSA-N	244.378	4.621	0	10	BJAE	
CCCC1CCC(C(=O)c2ccc(F)cc2)CC1	87959422	JHIMUVHHIGJAOB-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CCCN[C@H](CC)c1cc2ccc(C)c(C)c2o1	88074349	SAPYWUPYGLVJBK-CQSZACIVSA-N	245.366	4.500	0	10	BJAE	
CCCC[C@@H](CCCc1ccccc1)NC(C)C	93074392	YMIAEQIMMRKAAI-KRWDZBQOSA-N	247.426	4.566	0	10	BJAE	
CCCCCC[C@H](CNCC)c1ccc(C)cc1	93131724	NCCNUUWNQZKSOY-QGZVFWFLSA-N	247.426	4.659	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCCCC1(C)C	94279172	JKLMHIJTWSDKGS-CQSZACIVSA-N	235.346	4.515	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)C2(C)CCCC2)c1C	94899610	YXNHTVLGDMZISX-INIZCTEOSA-N	245.410	4.500	0	10	BJAE	
CCC1([C@@H](O)c2c(C)cc(C)cc2C)CCCC1	94906751	AWEVKBNBHVLVLO-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1ccccc1OC	107540845	FSYBZBDWGGPICT-FMFIFOJESA-N	218.340	4.545	0	10	BJAE	
CC/C=C\[C@H](C)Cc1ccc(Cl)s1	107596042	YQGKIRSQRSCINM-WBSSQXGSSA-N	214.761	4.546	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@H]2C[C@@H]2C)c(C(C)C)c1	109787846	ZBVGOEJHBDUNCZ-AFAVFJNCSA-N	246.394	4.623	0	10	BJAE	
CCCCCC[C@@]1(CNC2CC2)C[C@@H]2CC[C@@H]1C2	110197029	ZSHZVCURNDCIQT-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(C)c(Cl)c1	124784650	NUMDAVFDEIIIRA-AWEZNQCLSA-N	239.790	4.619	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)c1sccc1C	126010287	PAIHHCAKMJUFGL-DGCLKSJQSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H](C)c1csc(-c2ccc(F)cc2C)n1	132262465	ZDCUNFSDJZOFBG-SECBINFHSA-N	249.354	4.771	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](C)CCNC(C)(C)C	132700064	NDCNTVDVWYIWPT-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H]1C[C@@H](CC)CC[C@@H]1CNCCC	156061008	CLXOUHYFAUXSLG-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](N)c1ccccc1C(C)(C)C	158559426	HPNAAQNSIURMTQ-INIZCTEOSA-N	247.426	4.954	0	10	BJAE	
Cc1ccc(-c2c(F)cccc2Cl)cc1C	160402701	YPWUAKQMIOKIAV-UHFFFAOYSA-N	234.701	4.763	0	10	BJAE	
CCCCC1CCC([C@H](N)C[C@H](C)CC)CC1	162423857	XGYWWEULOBIOPQ-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@H]1CCC[C@@H](C)C1	165371091	LOEMVGAZOLPAKD-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
C[C@H]1C[C@H](C(=O)CCC2CCCC2)CC[C@H]1C	166091244	VTPYPRDXLUIOPF-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1cc(C)oc1C	167103851	YOQJTEQJVFDVCC-UKRRQHHQSA-N	238.371	4.536	0	10	BJAE	
CC1CCC([C@@H](N)CCC2CCCCC2)CC1	167860622	VRGQEQALBVLMGU-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
Clc1nc2ccccc2cc1C1CCCCC1	196599598	BAMMOBGPHAYLEV-UHFFFAOYSA-N	245.753	4.936	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@H]2C(C)C)c(F)c1	214483792	BMDIFJMUQPYWIH-DZGCQCFKSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)C1(C)CCCC1	229308180	LILUHHXYHKTYAC-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@H](c1cc(C)cc(C)c1)[C@@H](C)C(C)C	229475360	VCFIXQFRGMJUNR-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H](C)CCC(C)C)c1	232229377	OJDXLSARUIJVJG-GFCCVEGCSA-N	239.790	4.885	0	10	BJAE	
CC(C)C1CCC([C@H](N)C2=CCCCCC2)CC1	232545722	FOAPDNUIDWUWCP-BDVYOWHSSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](c1cscc1C)[C@H](C)CCC	233136538	FFAMSYRRUBGPIX-RISCZKNCSA-N	239.428	4.533	0	10	BJAE	
CCC[C@@H](CC)Nc1c(Cl)cccc1Cl	233288701	BLDYNZKHWCQZFN-SECBINFHSA-N	246.181	4.984	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CC[C@H]1CNCCC	251367388	QBKCVRZTNUKRGK-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@H]2CCC[C@H](C)CC2)C1	300575536	OPIHICSIYNSUCN-OTRWWLKZSA-N	249.442	4.537	0	10	BJAE	
Cc1cc2cc(Cl)sc2cc1C(F)F	306871172	WQBQBTGEKGFHJH-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)c1ccc(C)s1	307983935	AIPMMENNORSTJH-TZMCWYRMSA-N	240.412	4.552	0	10	BJAE	
CCN[C@@H](C(C(C)C)C(C)C)[C@H](C)CC(C)C	310099999	KFOBGQZMULHGPZ-GDBMZVCRSA-N	241.463	4.575	0	10	BJAE	
C/C(=C/[C@@H](C)C1CCCCC1)CNC(C)(C)C	310390522	GAFUQSNJPQXWBG-YBEMTRGBSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@](CNC2CC2)(CC2CCCC2)C1	317831566	WFENDNURRMEOPH-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CNC(C)(C)C)[C@H]1C=CCCC1	318124510	MKDXNRUEQMASTC-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@]1(CC(C)C)CCC[C@@H](CC)C1	319137247	FLYLYXPSAZHFAZ-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C(CCC)CCC)[C@@H](C)C(C)C	319779090	GPHPNUIXPZGRAJ-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](N[C@H](C(C)C)C1CC1)c1ccccc1	324478823	BMNMSEIXRODKDW-DLBZAZTESA-N	245.410	4.552	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCC12CCCCC2)C1CCC1	324821357	WHMZYAGZDKZPCJ-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(O[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1C	379880768	UVLMSEXOCDSWSZ-XNRPHZJLSA-N	232.367	4.507	0	10	BJAE	
CC(C)CCCCC[C@@H](N)CCc1ccccc1	383130518	CVIZIONNWLCYDA-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
CC(C)c1ccccc1-c1ccc(Cl)c(O)c1	383250340	FZCVUOIYDDTRRV-UHFFFAOYSA-N	246.737	4.836	0	10	BJAE	
CN[C@@H](CCCCCCC(C)C)C1CCCC1	383367361	IGAYWEOJLDOOEE-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)C(C)(C)CC	384067513	ZGJYVMJNMNXCKE-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCC[C@H](C3CC3)C2)CC1	394142039	WHGOZMAHZNFPJT-LCSXWQTCSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCCc1ccc2c(c1)NCCC2	394778137	XWGBHAINCBFQTP-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1N[C@@H]1CCCC12CCC2	394879820	ZNICHEPAOBILII-ARFHVFGLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](O)(CC1CCCCC1)C(C)(C)C	395404030	BESJXCUMVPZOER-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
O=C(CC1=CCCC1)c1ccc2ccccc2c1	401156526	MXLDKJYKFFVBKA-UHFFFAOYSA-N	236.314	4.523	0	10	BJAE	
CC[C@@H](C)CCNc1ccc2c(c1)CCCCC2	404631563	HBBLZGDBWDYGKC-CQSZACIVSA-N	245.410	4.804	0	10	BJAE	
CCCCCC[C@@H](C)Oc1cc(C)ccc1C=O	686492245	SRDKPXIAFHKESG-CQSZACIVSA-N	248.366	4.545	0	10	BJAE	
CCCCC[C@@H](CCCC1CCC1)NCCC	688369375	PXAVOHUMXHBYOK-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
C[C@H](CC1CCCCC1)NCCC1=CCCCC1	689717425	LYDALINDMWVFSC-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@H](C)C2CCC2)cc1	692696512	UBJWGSYYSNJTHE-QWHCGFSZSA-N	244.378	4.819	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@@H]1CCCC2(CC2)C1	695942680	RPDVWKBBQGNFMB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC(=O)[C@]1(C)CC[C@H](C)C1(C)C	699088988	WDRJUIPABJGYMY-LRDDRELGSA-N	238.415	4.844	0	10	BJAE	
CCC(NCC1CCCCCC1)(C1CC1)C1CC1	704659628	OSZNPBLPHHHCSH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@](N)(CCCC(C)C)C1CCCC1	704955382	ZWFGBACWLCNBCV-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
C[C@H](CF)NC1CCCCCCCCCCC1	705423967	BNBSMEGJHXQJGZ-CQSZACIVSA-N	243.410	4.607	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@]1(C)C[C@@H]1C	707744275	UXDNSNRBONTZLU-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2C[C@H]3CC[C@H](C3)C2)c1	710923169	DFUFVNUMVOUEJI-ITGUQSILSA-N	249.785	4.639	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H]1C[C@H]2CC[C@H](C2)C1	711046748	HIPGEAAZOXZOPY-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC(C)(C)C(C)C	713189438	IMPHJQKQSZPEMM-KBPBESRZSA-N	227.436	4.602	0	10	BJAE	
CC(C)CNC[C@H](C)[C@H](C)CC(C)(C)C(C)C	713209168	HDXYDKBKRMVQFE-CABCVRRESA-N	241.463	4.577	0	10	BJAE	
CC[C@H](CC(=O)CCCC(C)(F)F)C(C)(C)C	718688311	AAOSUWQJBUJPBX-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCC=CCCC1)C1CCCCC1	718979346	NSHGCFUEDFKDHX-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CC([C@]2(CN)CCC=CCCC2)C[C@H](C)C1	719341740	ZVVCUQPNXFHBEJ-BFYDXBDKSA-N	249.442	4.524	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)[C@H](C)CC(C)C	720978122	QAWXIFCXBCKSPT-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC1([C@H]2CCNC23CCCCC3)CCCCCC1	721036432	MYIBXLKKDHHACS-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCC1CCC(CNCCCC(C)C)CC1	1177186048	BWGNOUCKOWVBRB-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(SC[C@@H]2CCC[C@H](C)C2)cc1	1188316769	FNZWVKGSDZVBDJ-UONOGXRCSA-N	234.408	4.913	0	10	BJAE	
CCC(CC)N(CC)C[C@@H](C)CC(C)(C)C	1460178030	IYIHSWQQPFFKIN-ZDUSSCGKSA-N	227.436	4.569	0	10	BJAE	
CC(C)c1cccc(CN(C)C[C@H](C)C(C)C)c1	1875908701	SWEOKLSMQWTIAH-HNNXBMFYSA-N	247.426	4.534	0	10	BJAE	
CCCCCCC1=CCC(F)(F)CC1	1889493790	KMOLWBFRAGXWCI-UHFFFAOYSA-N	202.288	4.702	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccc(Cl)cc1	1905435811	UQPFHPIZQACNLQ-SMDDNHRTSA-N	239.790	4.556	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CC(C)(CC)C1	1905448541	IMZLYTAHIWDWBF-OPFPJEHXSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC[C@@H]2CC[C@@H]21	1907050990	WIDSDVAHRHIRNS-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNc1ccc2sccc2c1	1908546785	JQWJQWICXYDPIX-VXGBXAGGSA-N	245.391	4.749	0	10	BJAE	
CCCC[C@H](C)C(=O)CCC=Cc1ccccc1	1911895871	QTRGWBLIDUUHCG-HNNXBMFYSA-N	244.378	4.875	0	10	BJAE	
CC1(C)CC2(CC2)C[C@](N)(CC[C@@H]2CC2(C)C)C1	1921548403	GHJQHWMROGKWAW-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
C[C@@](CN)(CCC1CCCC1)C1CCCCC1	1924098454	GKWUEPSGRFXOCJ-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
C[C@H](C(=O)CC1CCCCC1)C1CCCCC1	1924100045	MACSHLNVHBQBQF-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)CCCC1CCC1	1924102157	XTAWDYSKBIJSRU-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](CN)[C@@H](C[C@@H]2C=CCCCC2)C1	1925894134	YBFSTSRYKWGWTG-QBPKDAKJSA-N	249.442	4.524	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H]1C=CCCCC1	1925904564	XWOZNHIWVCMSFV-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)[C@H]1CCC(C)(C)C1	1925916174	SSICGPIURODMOV-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@]1(C[C@@H]2C=CCCCC2)CCCCCN1	1925926386	HFNQCPLMXMMRJF-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CCC[C@H]1C=CCCCC1)NCC	1925943799	BFLFJACNIKSWPJ-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CC(CC)CC)CC1(CC)CCC1	1926381520	BSELUZBKSFJKTN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C1=C[C@@H](Cc2sccc2C2CC2)CCC1	1932607269	QBVDPXFKNSRGOK-LLVKDONJSA-N	218.365	4.524	0	10	BJAE	
Cc1ccc(Cl)c(O[C@@H](C)CCC(C)C)c1	1937174298	OKJQUDRSKCZKJZ-LBPRGKRZSA-N	240.774	4.852	0	10	BJAE	
C[C@H](C[C@@H](N)CCC1(C)CC1)C1CCCCC1	1940794365	BSWJKDHPYVNRLP-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C[C@H](O)CCCC1(C)CC1)C(C)(C)C	1940869958	PJBAVQKPXXAFBS-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC(=O)CCC[C@@H]1CC1(C)C)C(C)(C)C	1940877387	QVUICPMRGUDYAN-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)[C@H](CC(C)C)C(C)C	1941243968	REDVGNLMOIFVQF-ARFHVFGLSA-N	242.447	4.738	0	10	BJAE	
CCC1([C@@H](NC)[C@@H](C)CCC(C)C)CCCC1	1942653252	OPZUQPJHKQYJHN-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@H](C)CCC(C)C	1942665141	VVLWFQBTRSAGTC-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](NCCC2(C)CCCCC2)C1	1945432910	UJZAEIWXNBGNCM-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CC[C@H](C)[C@H]1C(C)C	1947509192	CTEGERIXEWWQDT-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)C[C@]1(O)CCCCCCCC1(F)F	1947511848	ZZQBOXFDWQCPFB-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
Cc1cccc(N[C@H]2CCCCC23CCC3)c1	1947878655	KICYQKNRFWBIBO-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCCCC12CCC2	1948453081	LPTYBOZYVBIKCJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC1CC2(CC2)C1)NCCC	1948683317	BVWFIFJWWVVAIM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1CC[C@@H]2C[C@H]2C1	1949002761	WRMCAZDAWIEBLX-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@@H](N)CCCCCC1CC1	1949080428	QDHYZGNBKVFMCN-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCCCCC1(O)CC2(CCC(C)CC2)C1	1950545104	GIKMTTNVPIZJPC-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CNC[C@]1(CCC(C)(C)C)CCC[C@@H](C)CC1	1950931845	ZSCGYYOGTHXBJB-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@]2(C)C=CCCC2)CC1	1966038536	VDFZHFANRUYHCP-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)CCCC(C)C	1968367199	UWXIDHJRPZJRBP-CYBMUJFWSA-N	237.362	4.761	0	10	BJAE	
Cc1cccc(C)c1-c1nc(CC(C)C)cs1	1970806016	SBBNGNWXLIEVRZ-UHFFFAOYSA-N	245.391	4.625	0	10	BJAE	
CCc1cc(N[C@H]2CC[C@@H]2CC(C)C)ccc1F	1971991758	OLHDEWSHUPOKKL-CJNGLKHVSA-N	249.373	4.625	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCC=C(C)C	1978428738	QBPNBJIDLJBWDI-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCC(C)(C)[C@H](N)C1(C)CCCCCCC1	1981415944	KCUSBMZUOBICEW-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CC(CC2CC(=C3CC3)C2)C[C@H](C)C1	1985535436	URXRUPPGGALZDX-VXGBXAGGSA-N	218.384	4.949	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(O)C1(C)CCCCC1	1995988166	XNWVLFJNUVHQCH-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC1(C)C)C1(C)CCCCC1	1995991951	TXNAUMACSHFXLM-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C)[C@@H]1CCCC2(CCCCC2)C1	1996648375	YWZKASQQCWVOSM-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1cscc1C(=O)C[C@@H]1CCC=CCCC1	1999984912	DHSYVJSKIXIZEC-CYBMUJFWSA-N	248.391	4.766	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)[C@H]1CCCC(C)(C)C1	2000039786	ZKSGABZKKSHDCA-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CCCN1[C@H]1CCCC(C)(C)C1	2000157294	CBFCUPBMMAWQFI-AWEZNQCLSA-N	237.431	4.610	0	10	BJAE	
Clc1ccc2ccn([C@@H]3CC[C@H]4C[C@H]4C3)c2c1	2001464096	MXPQUANVVIVSFU-SGMGOOAPSA-N	245.753	4.656	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)C1CC(CC)C1	2002304371	HCLVRYDXLZHAKJ-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H]1CC[C@H](C)CC1	2003066920	KOKFYORTMWHRBL-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H]([C@@H]2CCCCCCC[C@H]2O)C1	2003115925	FPDARILHYCBODJ-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H]1C[C@H](CC)C[C@@H](NCCC)C1	2006625472	XRDQZWWVZDPLCK-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC1=C[C@@H](N[C@@H](c2cccs2)C(C)C)CCC1	2006908479	WXMYHEDTKHYRAD-DZGCQCFKSA-N	249.423	4.534	0	10	BJAE	
CCN[C@H](CC(CC)CC)CC1CC(CC)C1	2007754399	NZFUACIEGZHABI-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)C(C)(CC)CC	2007934321	JDGXZEUOLLUYQB-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CCC[C@@H](C)C1	2009596919	XGALJQHINXKTRC-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCCCCC[C@@H]1NC	2009611749	NEYBFZYLHMNLBV-WNEUIUNWSA-N	237.431	4.681	0	10	BJAE	
CCCC1CC(N[C@@H]2CCCCC[C@H]2CC)C1	2009788596	WYTOGGWRGUUGAP-GYTBAZASSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCC[C@H](N)C1=CC[C@@H](C(C)C)CC1	2010760379	AXGGRHDEZCLOMQ-ZBFHGGJFSA-N	237.431	4.523	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H]2CC(=O)CC(C)(C)C2)C1	2012083772	JCVUYKMNTJNOMD-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)CC12CCC(CC1)CC2	2012824309	QZFSVIPJXUFCNX-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cc(C)ccc1F	2013265560	XLVZXHSEHLDZLJ-ZDUSSCGKSA-N	237.362	4.761	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCC[C@@H](CC(C)C)C1	2013472088	AJSWSDRDRUXVBQ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCC(=O)c1scc2c1CCCC2	2013961039	KWKPRPGCQLFHIX-UHFFFAOYSA-N	248.391	4.556	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(O)CCCCCC1CC1	2014906218	ZQUVSAOQVZMMLZ-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](O)CCC(C(C)C)C(C)C	2015340323	UJLCSOLYENKMBQ-CQSZACIVSA-N	242.447	4.882	0	10	BJAE	
CCCC1(CC(=O)C[C@H](C)C(C)(C)C)CCC1	2015598583	WZGJNKCRCKEBDY-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(=O)C(C)(C)C1CCCCC1	2016445688	IMSMONDDELVPSM-WBMJQRKESA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(C[C@@H](O)C2(C)CCCCC2)CCC1	2017114261	JZPCSUMUDHQGEL-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)C[C@H]1CCCCCCCC[C@@H]1O	2017428471	ALKNXBUDVWVHHL-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CCC[C@H](N(C)CC(F)=C(C)C)CC1	2017470290	ZFFTZBLPWPSELX-KBPBESRZSA-N	241.394	4.541	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)CCCC2CC2)CC1	2017648054	JWCJCJPUAJVSFD-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@H](O)[C@H]1CC[C@H](CCC)CC1	2017659082	RMROOVMLBGUBOF-CRIKOPJCSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@H](N)C2CC2)CC1	2017736231	XNZAFJYVFFWIGG-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)C1(CC)CCC1	2018993072	ZJGOGCRGMCTRGJ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCCCN1CCC2(CCCCCC2)C1	2019292572	ZGZWRNWUWBMUAQ-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
CC(C)C[C@@H](C)N(C)C1CCCCCCCC1	2019297207	IJLREFRLWCADPV-OAHLLOKOSA-N	239.447	4.856	0	10	BJAE	
CC(C)C[C@H](C)N(C)C1CC(CC(C)(C)C)C1	2019298487	XCOPJVFMUMCHCP-NFOMZHRRSA-N	239.447	4.568	0	10	BJAE	
CCC[C@@H]1CCCCN1CCC1=CCCCC1	2019344704	QQDNCYPKZVHHGR-MRXNPFEDSA-N	235.415	4.532	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CCC)CC(C)C	2022495809	MGSVNBBOWAMOEJ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)(CC)C[C@H]1C[C@H]1C1CCCCC1	2022551229	GIAFLTVWUNBYRI-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC)CC1CC(C)(C)CC(C)(C)C1	2024092041	NLVPCVZVPYCENO-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2024092106	OCQLFMVJXUGHHZ-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)[C@@H](N)CC1CC(C)(C)CC(C)(C)C1	2024097917	YVPHGDYUXNZWLW-JSGCOSHPSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@H]1CCCC(C)(C)C1	2024118811	OTGVJRDQMGPSDI-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@H]1CCC(C)(C)C	2024511301	SXHSPMRQZVKHLG-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CNCCC1CC(CC)C1	2025376566	OELBFDMKLJFHRR-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@H]1CC[C@@](N)(CCC2CCCCC2)C1	2025627091	HNFGJQQBCXCAJY-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
Cc1cc2nc(C3CCCCC3)[nH]c2cc1Cl	2025871096	HTHNRSLSXXZGDP-UHFFFAOYSA-N	248.757	4.572	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)C[C@@H]1CC[C@H](C)C1	2026142187	HRUZEZXYZAZCLH-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)C1CCC(N[C@@]23CCCC[C@H]2C3)CC1	2026961553	RQVMZPUFIJQSIB-KXJMLMMSSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc([C@@](C)(O)CC2(C)CCCCC2)cc1	2027311170	IBVOMDLJCXINLH-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CCCC[C@](C)(O)c1ccc(C2CCCC2)cc1	2031749387	IEGZDEHSQXQPEW-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
Cc1ccc(C)c(C(=O)C(C)(C)C2CCCC2)c1	2032296303	MVKVRCFCVFBLGZ-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)C1=CCCCCC1	2032341964	PRDKVEZTTJTOPY-INIZCTEOSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@H]1[C@@]1(CNC(C)(C)C)CCC=CCCC1	2033634706	WCIANSCYPALDEU-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCCOc1cccc(NCC(C)(C)C(C)C)c1	2034018285	FENLHOZWPZFGOT-UHFFFAOYSA-N	249.398	4.570	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C1CC1)C[C@@H]1C=CCCC1	2035594629	UUMJHHFQJFMHID-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC([C@H](N)C[C@H]2C=CCC2)CC(C)(C)C1	2035601090	RHHDLOBDRNUUID-DZGCQCFKSA-N	249.442	4.523	0	10	BJAE	
CCC/C=C/CNc1ccc(OC(C)C)cc1C	2036763914	YKKRDVULEKYGCQ-BQYQJAHWSA-N	247.382	4.550	0	10	BJAE	
C[C@](N)(CCC1=CCCCC1)[C@]12CCCC[C@H]1C2	2037174828	PHTXEBFHEHFCFI-ULQDDVLXSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCCCC1=C1CNC2(CCCCC2)C1	2037762072	MEBHYJHDJISTRR-AWEZNQCLSA-N	247.426	4.579	0	10	BJAE	
CCCN[C@@H](CCC1=CCCC1)CC1CCCC1	2038111301	ZLOKYVKLFAZHLC-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC(NC[C@H]2CC23CCCCC3)CC1	2039057894	IRUOJWNFHILJSX-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](c1ccoc1)[C@@H]1CCCC(C)(C)CC1	2039380305	HNDRGEZVSLFKRB-UKRRQHHQSA-N	249.398	4.537	0	10	BJAE	
CCC1CCC([C@H](N)[C@@H]2C(C)=CCC[C@@H]2C)CC1	2039442138	QWFYEJDZBOQESP-WMUVLYSMSA-N	249.442	4.523	0	10	BJAE	
CCc1ccc(N[C@@H](C)C23CCC(CC2)C3)cc1	2039860896	ZRDNEOCMSNKVJW-KTAKPFMOSA-N	243.394	4.630	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H](c1ccccc1)C(C)C	2045673208	DJUQBGLKVCKBAC-YOEHRIQHSA-N	246.394	4.822	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048367472	ZPPOTZXHYAHVCQ-QLPKVWCKSA-N	246.394	4.518	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H]1CC[C@H](C)CC1	2049680535	GKRJWDJQVGXKAS-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C1CCC(CCNC2C3CCCC2CCC3)CC1	2050044252	YMICWMSYZIDKQQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
c1cc2c(c(OCCC3CCCCC3)c1)CCC2	2050412612	DAASZKFZEWROSK-UHFFFAOYSA-N	244.378	4.525	0	10	BJAE	
Cc1cccc([C@@H](O)CCC2(C)CCCCC2)c1	2050430470	MMJUNACYNFLXGE-INIZCTEOSA-N	246.394	4.779	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@@H]2CCCC(C)(C)C2)cc1	2050433104	WBJYMMWZSPRHBO-HOCLYGCPSA-N	246.394	4.635	0	10	BJAE	
CCN[C@H](CCCC=C(C)C)c1ccc(F)cc1	2050493359	XFYWRPYYNJJGGM-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CC1(C)CCC[C@H](N2CCCC[C@H]2C2CCC2)C1	2051667379	BNJNHBIPNIZYMJ-HOTGVXAUSA-N	249.442	4.610	0	10	BJAE	
CC1(C(=O)C2[C@H]3CCCC[C@H]23)CCCCCCC1	2052505973	UMSHIRTXEPFXTM-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@@]1(CN)CCCC12CC2)C1CCCCC1	2053418433	NDUMZTSWYLBHCM-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@@H]1CCCCC12CC2	2053419039	QYKBMEDZHJFGBV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC=C[C@@H]1NC1CCCCCCCCC1	2055567956	SLAAHLBEJMNJFW-RDJZCZTQSA-N	249.442	4.824	0	10	BJAE	
C[C@H]1C[C@@H](Nc2ccc(CF)cc2)CC(C)(C)C1	2055678190	NDOHHWGUFMSKEU-SWLSCSKDSA-N	249.373	4.783	0	10	BJAE	
Cc1ccc(F)cc1C(=O)C1(C)CCC(C)CC1	2056539276	HXRPMGFGQQRZSC-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCC1CC(CC2(N)CCC3(CCCC3)CC2)C1	2056644635	DWIHOSUDLBCJHJ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC1CC(C2CCC2)C1	2056692654	XUJZHUGZAXUQLA-LHUBUQBQSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@]1(C[C@@H]2[C@H]3CCCCC[C@H]32)CCCN1	2059467001	NDUOUPBSPPOGOI-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](NC)C1=CC[C@H](C)CC1	2060924949	HUJCBTLRRQBIEN-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C1=CCC(C)(C)CC1	2061149009	ZMQIXINUCCFFRE-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)CC1CC(=C2CC2)C1	2061671613	IKDZDLQKDSLSNR-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
N[C@H](CC1CCCCC1)CC1C[C@@H]2CCC[C@H]2C1	2063488329	VMOOYEWADWZFQF-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC23CCC(CC2)CC3)CC1=O	2065285825	JUYZXWDNEDXGCS-XOYHFGRZSA-N	248.410	4.742	0	10	BJAE	
CC(C)NCC1(CC23CCC(CC2)CC3)CCC1	2065327470	MLTJWCALICBRIY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C[C@@H]1CC12CCC2	2069196360	HFNHQJPPOFXGTQ-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C[C@H]1CC12CCC2	2069216054	WJJPBHHQOUTFDI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN(C)c2ccc(CC)cc2)CCC1	2069275253	YTJAQJXORWOTGG-UHFFFAOYSA-N	245.410	4.656	0	10	BJAE	
CC1(CN[C@@H]2CCC3CC2C3)CCCCCCC1	2069354091	QWDMXWALHHCJRN-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](Nc1cccc(C2(C)CC2)c1)C1CC=CC1	2070794346	IAXLNSWCJFLPMA-CYBMUJFWSA-N	241.378	4.505	0	10	BJAE	
c1cc(C2CCC2)ccc1NC[C@@]12CCC[C@@H]1C2	2070802387	CNVUUHBRGCKGGU-WBVHZDCISA-N	241.378	4.556	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)C[C@@]12CCC[C@H]1C2	2070870992	VTANVRPCWNUMAF-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@]2(C)C=CCCC2)CCC1	2071926703	SIDWVIHTLHMIAF-MRXNPFEDSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H]2CNC3(CCCCC3)C2)CC1	2072819904	USFVWEHGQLEHHC-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](CCC(=O)c2cccc(F)c2)CC1	2072878637	LWHNGVWPYSHRHU-JOCQHMNTSA-N	248.341	4.615	0	10	BJAE	
CC(C)NCC1(C[C@]23CCCC[C@@H]2C3)CCCC1	2074030887	WAZKKYXAMFOSKX-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@@H](C)c2ccccc2)C1	2074892627	OPMOVYIBZUAKLH-UXLLHSPISA-N	245.410	4.648	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CC[C@@H]1C1CCCCC1	2074898853	GKTKZPIQKJTTQD-HYVNUMGLSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H]1CC[C@H](CN2CCCCC23CC3)CC1	2075341372	MMKIQZIRXYYASB-WKILWMFISA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@@](CNC)([C@H]2C=CCCCC2)C1	2075365160	LNPHXZHIIKFACR-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
N[C@H](C1CCCCCC1)[C@@H]1C[C@@H]1C1CCCCC1	2079428840	SBVUNTAEHQROSA-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)C[C@H]1C[C@@H]1C1CCCCC1	2079833885	YVEKDPYLCSSXKK-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](CC)Oc1cc(C=O)ccc1C	2086296888	ACRYOIIOQRUIFL-OAHLLOKOSA-N	248.366	4.545	0	10	BJAE	
CCCC1(C[C@H](C[C@H]2CC23CC3)NCC)CCC1	2086359871	WBZUZHXZGFNSGU-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
c1cnc2c(CC3CC(=C4CCC4)C3)cccc2c1	2125732420	BOFKIEIRXTVENT-UHFFFAOYSA-N	249.357	4.668	0	10	BJAE	
CCCCC[C@@H](O)CC1C[C@H]2CCC[C@H](C1)C2	2213275623	PRMLGOPHXKXVOP-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
Cc1c(C[C@H]2C=CCC2)cccc1C(F)(F)F	2214848724	AMQMQJZBABGNIR-NSHDSACASA-N	240.268	4.523	0	10	BJAE	
C[C@@H]1CC[C@H]1C[C@@H](N)C1(C)CCCCCCC1	2214961876	SEQHKFKWUDLGDQ-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)C1CCCCCCC1	2215247617	KCPGFENALGTCEQ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCCNc1ccc2c(c1)SCC2	2216749440	ICMDEDWYEOFPHF-UHFFFAOYSA-N	249.423	4.573	0	10	BJAE	
CC[C@@H](C)NCC1(C2CCC2)CCCCCC1	2217140826	RIFUHQDEJSNNDF-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
N[C@H](CCCC1CCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218347078	VUZKPGPVMVMXDV-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NC1CC(CC2CC2)C1)C1CCCCCC1	2218493445	HBEVJWHICPMJSS-KTAKPFMOSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C1(CC2CC2)CC1	2220025924	UABJPSUBZHPKMU-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC1(CNC2CC2)CCCCC1	2220881910	VREMOQLTUHYSDV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2(C)CC3(CCC3)C2)C1	2221070994	HHQYAPHVOYIRKG-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)CCCCC2CC2)CC1	2221596535	CQWNZQXGBKQBEX-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CC1=CC[C@](CNC(C)C)([C@@H]2CC[C@@H](C)C2)CC1	2221661767	MMGYAMRRKNUKCK-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](CN)(C[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2221662671	IFAGARVXLLULDP-LTIDMASMSA-N	249.442	4.524	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@H]1CC12CCC2	2223131878	CRTOYJXKKPIDOT-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
Cc1scc(CC2CC(=C3CCC3)C2)c1C	2242616212	GYERACDLFKPLMX-UHFFFAOYSA-N	232.392	4.798	0	10	BJAE	
CC(=O)C1(CC[C@@H](C)CCCC(C)C)CC1	2244847942	VIPYWOSWPBQKOR-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1(C)CC(C)C1)NCC	2246453139	AYZQDWNBTSTOAD-PWUWZPNHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](N)CC[C@@H]1CCCCC12CC2	2246620408	MPHILMOTDRJPSA-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@H]1CCC1(C)C	2247315644	VMDUGDMOIGPPTA-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CO)CCC12CCC2	2247353978	IPIAURVUVCFINH-GOEBONIOSA-N	238.415	4.536	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1CCC1(C)C)NCC	2247447557	MYOCVLDAWBOOQY-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@@H]1CCCC12CC2	2247623906	VXMRKNNVRYITNS-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](NC(C(C)(C)C)C(C)(C)C)C1CCCC1	2247750994	RCEDZQBMNCNKQF-GFCCVEGCSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](NC)c1cc(C)c2sccc2c1	2248566033	QEHSLBYQLYFBLR-CQSZACIVSA-N	247.407	4.660	0	10	BJAE	
CCC1(C(=O)c2cc(C)c3sccc3c2)CC1	2248572027	KUFHTNPDQRMWIN-UHFFFAOYSA-N	244.359	4.583	0	10	BJAE	
Cc1cc(N[C@H](C)c2ccsc2)cc(C)c1C	2249495742	FQMNUPYPGHYIDV-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1CCCC2(CCC2)C1	2250385427	QQZGLMFQHKULQT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@]1(N)CC=CCC1	2250518400	SAMNXVJVSLWOBG-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CC(C)=CCCN[C@@H]1CC(C)(C)CCC1(C)C	2251678258	KUMWYXTUJXHRLO-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
O=C(CCC[C@H]1CCCCC12CC2)c1ccco1	2253806760	JODUGQRYIVUVJE-CYBMUJFWSA-N	246.350	4.603	0	10	BJAE	
C[C@@H](CCC1CC1)NCC[C@@H]1CCCCC12CC2	2253892702	YDVXIDRNOGCHOQ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(=CC1CC2(CCCC2)C1)c1cccc(N)c1	2254113768	KNOXPYBZTLMPKK-UHFFFAOYSA-N	241.378	4.643	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CC2CC3(CCCC3)C2)C[C@H]1C	2254116735	VWYLWFBDCIOYBQ-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(=O)CC[C@H]2CCCC23CC3)cc1	2255313358	PCXQVFKRAHEEBG-OAHLLOKOSA-N	242.362	4.538	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCN(C1CCC1)C1CCC1	2257290195	MFJLYRSBNKALOB-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
Cc1coc(C)c1C(=O)CCCCC[C@@H]1C[C@@H]1C	2257305433	USGXDLADCDLOKZ-SMDDNHRTSA-N	248.366	4.686	0	10	BJAE	
C[C@H](Nc1cc(C2CC2)ccc1F)C1CCCC1	2259124953	CACPHYYLKKCAJR-NSHDSACASA-N	247.357	4.694	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccc(CC(C)C)cc1	2259439277	UTOSUBNGSSLVMV-DOTOQJQBSA-N	247.426	4.711	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc2ccccc2c1	2259446707	HGYJSSSXXVBWCC-ZDUSSCGKSA-N	240.346	4.849	0	10	BJAE	
CC[C@@H]1CCCCCN1C[C@@]12CCCC[C@H]1CC2	2260573924	KBMTVFRYKKBTJA-BBWFWOEESA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@@]23CCC[C@@H]2CC3)C1	2260582948	MCGPUJANQGNIDX-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@]23CCCC[C@H]2CC3)[C@@H](C)C1	2260657541	JJVKKTOQEVXKKF-NBFUAULTSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@@H](C)Nc1cccc(C2CCCC2)c1	2260738091	PKLZUQVEHUYHRA-XNJGSVPQSA-N	243.394	4.801	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCCCC(C)C	2300459304	PMSCTTXYAYTNQN-UHFFFAOYSA-N	233.399	4.967	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC1CCC=CCC1	2300479501	XTNYRLIXUOGFEN-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@H]1C=CCCCC1	2300496015	FBWLEWUZFHZUPK-JKSUJKDBSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CCCCC1(C)C	2300676365	NSTTWZHZXJFJTJ-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1C[C@@H]2CCCC[C@H]21	2300681593	QKIFTBMMZWCFRG-RRFJBIMHSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CC[C@H](O)CC=C(C)CCCC(C)C	2300865330	MCQPJYPKQGDNCJ-INIZCTEOSA-N	238.415	4.866	0	10	BJAE	
CC(=CC[C@@](C)(O)CC(C)C)CCCC(C)C	2300916452	NUODMRJJMQZQJQ-MRXNPFEDSA-N	240.431	4.946	0	10	BJAE	
CN[C@H]1CCCC[C@@H](CC2CCCCCC2)C1	2301142565	KKXWPSUGEBTXHW-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(O)CC1(C(C)(C)C)CCC1	2301919611	QUOZRBWLTJFSOJ-ZFWWWQNUSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2C(=O)CCC[C@H]2C)CC1	2303519983	FZRNNKAUZJEXKJ-BPLDGKMQSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CCC[C@@H]1CCC(C)=C(C)C1)NC	2303574826	DASGEFWBVHNDCE-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CC[C@@H]1C(C)(C)C	2307904645	UEVZJQOCQCZUOZ-AJNGGQMLSA-N	239.447	4.602	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@H](NC1CCCCCC1)C2	2308401210	SQIHOMIUEYVMHO-PVAVHDDUSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC[C@@H]1C[C@H]1C1CC1	2308414857	QXXYHJUUXTZCSH-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@@H](C[C@@]23CCC[C@@H]2C3)C1	2310886588	SJDOHOHBERTMHG-UMPJEAMMSA-N	248.410	4.598	0	10	BJAE	
NCC[C@@H]1CCC[C@@H](C[C@@]23CCCC[C@@H]2CC3)C1	2313342553	OIUJSNJXYCABGF-HZMVEIRTSA-N	249.442	4.502	0	10	BJAE	
CC[C@H]1CCCCCN1C(CC1CC1)CC1CC1	2313598064	SCXNFKIBYWTRMV-INIZCTEOSA-N	249.442	4.610	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@@H](C)CC1CC1	2313669220	QVLSHVCVVBOLRX-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CCc1cc([C@](C)(N)CCCC(C)C)ccc1C	2315952735	SPVPOMNOJYAWPA-QGZVFWFLSA-N	247.426	4.558	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@]1(C)CC=CCC1	2316504789	WFYLVMFSWXKZQK-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CC(=CCN1CC[C@@H]1C1CCC1)CCCC(C)C	2316507325	ZNHXGGBTVZIAIX-QGZVFWFLSA-N	249.442	4.633	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@]12CCCC[C@@H]1CC2	2316876760	YJGJQGYSQDJTKB-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CC[C@H]1C[C@H]1CCn1c(C)cc2cc(F)ccc21	2317556835	VUFVDHARLMQWTR-QWHCGFSZSA-N	245.341	4.525	0	10	BJAE	
CC1(C)CC[C@H](CNCCCC2=CCCCC2)C1	2318533182	FQTVRRRHORVPJY-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
OC[C@@]1(CCCC2=CCCCC2)CCC12CCC2	2318539694	HKPVMSNGHRMYRE-QGZVFWFLSA-N	248.410	4.600	0	10	BJAE	
C[C@@H](CCCC1=CCCCC1)[C@@H](C)CNC1CC1	2318592667	LRPMCFDASIOZNX-GJZGRUSLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cc(F)ccc1C1CC1	2319170080	YJTZWVURRFNZKK-LLVKDONJSA-N	248.341	4.712	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCCC[C@@H]3C[C@H]23)CC1	2319333758	GMXXTTWHRLRIRR-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@H](N)CC1=CCCCC1	2320241354	TXHSXHGHLHDJHB-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(N)CCC12CCCC2	2320247838	RBLLPKWVDLQKGV-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1[C@H](C[C@H]2CCC(C)=C(C)C2)CC[C@H]1NC	2320388817	UKZDNSMLGKFVHM-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2CCC(C)(C)C[C@H]2C)CC1	2320411169	IBDFOFKFLRHSJL-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
CC(C)c1cccc(C=Cc2cccc(N)c2)c1	2320661183	DWZBIEKOXQCQRP-UHFFFAOYSA-N	237.346	4.563	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC(C)(C)[C@@H]2C)c1F	2327805315	CAYITEFWYAWXNR-BXUZGUMPSA-N	249.373	4.796	0	10	BJAE	
CCc1cccc(N[C@H](C)c2ccc(C)cc2)c1	20546608	DSIOZXIEVXIDSE-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
CCCCc1ccc([C@H](C)NC(CC)CC)cc1	21512084	KGNDBJVDVHTVKX-AWEZNQCLSA-N	247.426	4.868	0	10	BJAE	
CCC[C@@H](Nc1ccccc1F)c1ccccc1	21786543	YHTCGDURFUJPOR-OAHLLOKOSA-N	243.325	4.779	0	10	BJAE	
Cc1c(C(=O)C2CCCCC2)oc2ccccc12	37367273	LZNWQTDIWITFFN-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
CCCC[C@@H](CC)Nc1cccc2c1CCCC2	69370288	CAQZFCIRYAWWSP-OAHLLOKOSA-N	245.410	4.946	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccc(Cl)cc1	70558326	UCMDCBUAQUTMTM-BXUZGUMPSA-N	237.774	4.721	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1cccc2ccccc12	70978807	KUDUSXBTYDLKTM-INIZCTEOSA-N	241.378	4.537	0	10	BJAE	
Clc1cccc(Cl)c1C1CCCC1	75840609	AKADDNBOGOQYHS-UHFFFAOYSA-N	215.123	4.651	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cccc(C(C)C)c2)C1	80427962	LWEGPVJVHXAWOM-BBRMVZONSA-N	231.383	4.801	0	10	BJAE	
Fc1ccc2nc(C3CCCCCCC3)[nH]c2c1	86580457	MYDDIJBJQOESEK-UHFFFAOYSA-N	246.329	4.530	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cccc(F)c2C)CC1	86907295	MJDYHTHQJDWVQX-KBPBESRZSA-N	249.373	4.905	0	10	BJAE	
CC(C)CC[C@]1(O)CCC[C@@H](C(C)(C)C)CC1	87187947	FVNULPWUKGVBFB-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc([C@H](O)C2CCC(C)(C)CC2)c1C	87941276	LEIWJFXLXHHXGL-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
FC(F)(F)c1csc2ccc(Cl)cc12	90493712	PJXANUOAMJFHOP-UHFFFAOYSA-N	236.645	4.574	0	10	BJAE	
CC(C)(C)c1ccc([C@H](O)C2(C)CCCC2)cc1	94906765	YUUGPIJYLVFCGH-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCc1ccccc1Oc1ccccc1CC	95935370	YIMFCJMGPKCUNS-UHFFFAOYSA-N	226.319	4.604	0	10	BJAE	
CN[C@@H](c1ccc(C)c(C)c1)C1CCCCCC1	110199787	HUVMMDZLNYKDGU-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C1CCCCCC1	110228988	BJLZMSWAGADCAN-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](C1=CCCC1)c1ccc(C(C)C)cc1	110229918	PAMMCCWDZLZSSB-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCc1ccc([C@H](CC)N[C@@H](C)C(C)(C)C)cc1	122628354	RIWJRNFIDCEQLU-BBRMVZONSA-N	247.426	4.724	0	10	BJAE	
CSc1ccc(NCCC2CCCCC2)cc1	125019184	AJPRNJSJDZFTPR-UHFFFAOYSA-N	249.423	4.791	0	10	BJAE	
CCCN[C@H](CC)CCC1CCCCCC1	128639196	NEKPEEGDDBEDCT-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NCC2CCCCCC2)C1	149553503	FUSCUVFHKAWFBD-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](c1cc2ccccc2s1)C(C)(C)C	164683191	BZWXAKUBWPHDPP-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CC(C)CCCC1(CNCC(C)C)CCCC1	166076420	HYEVFOSPGQDGKQ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2cccc(C)c2F)C1	166328743	IIKNPFOMCOFFNT-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@H](C)C(C)(C)C	167142698	IDNCOCREYVTDBQ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1CCCCC1	168003266	KMBJFRSBXPCTGN-CQSZACIVSA-N	224.388	4.742	0	10	BJAE	
Clc1cccc(-c2ccsc2)c1Cl	200702595	JYMVAMCWEDJCBZ-UHFFFAOYSA-N	229.131	4.722	0	10	BJAE	
CCCC[C@@](CC)(CO)CC1CCCCC1	203501136	SOXQPCBRHSXAMG-OAHLLOKOSA-N	226.404	4.536	0	10	BJAE	
CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1NC1CCCCCC1	226968475	VFOJTEXOCPJZRX-KMFMINBZSA-N	249.442	4.514	0	10	BJAE	
O=C(CCC1CCCCC1)C1CCCCCC1	229433439	TUGJSCGSVVSPOP-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
Cc1cc(C(=O)C2CCCCCC2)sc1C	229435859	HWBOBNDYSYFNMI-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCC1CCC(N[C@@H]2CCC23CCCCC3)CC1	230166809	BCVXNSKBVNOATF-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)c1ccc(NC2CCCCCC2)nc1	232517009	RNCIBKMMGOAWAM-UHFFFAOYSA-N	246.398	4.514	0	10	BJAE	
CCCCCC[C@H](C)Oc1ccc(C)cc1C=O	232972900	NBQBAKFCHVQLRJ-AWEZNQCLSA-N	248.366	4.545	0	10	BJAE	
CCCCC[C@](C)(O)[C@@H]1CCCC[C@H]1CC	250804476	FCABACLTKVRGQH-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
O[C@@]1(C2=CCCCCCC2)CCC[C@H](C2CC2)C1	300127118	CPPGMCIKAZFZIE-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCC[C@H](CC(C)C)C1	300309241	MQYYKRUPXDWQPS-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1/C=C/CCCCC1	302525091	WWAULALBQXHGCC-DYLGSBMWSA-N	249.785	4.949	0	10	BJAE	
CC[C@H](N[C@H](C)CCC(C)(C)C)c1ccccc1	306030565	LDWVFDMIMUSCPS-ZBFHGGJFSA-N	247.426	4.942	0	10	BJAE	
CC1(C[C@H](O)c2csc3ccccc23)CCC1	310290946	YZQULCXTYNCGRP-ZDUSSCGKSA-N	246.375	4.515	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CC2CCC1CC2	310354471	RLUOVSYLZOVJLF-PRLABOORSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC(/C=C(\CN)C2CCCCC2)CC1	311048419	WQMIHKZAQQBRHU-FOWTUZBSSA-N	249.442	4.668	0	10	BJAE	
CC(C)NC[C@]1(CC2CCCCC2)CC=CCC1	317324227	PIVXAWWEGDZZGA-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C2(CNC3CC3)CCCCC2)CC1	317714717	DJHOYAKSGWXCBU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@](CCC2=CCCCC2)(CNC)C1	318065815	VEVDZXDUAXEKGL-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC(C)(C)C)CCC[C@@H]1C	318195365	BAZXJOOHHNNNII-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@]2(CNC3CC3)CCC[C@@H]2C)CCC1	318665267	CLRFVZOCYQLLIY-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCSc1ccccc1N[C@@H](CC)C1CCC1	322744877	ADOMMMPDTANQKS-ZDUSSCGKSA-N	249.423	4.789	0	10	BJAE	
CCCc1ccc(NC[C@@H](C)C(C)(C)C)cc1	379740843	LKLXNOBIRZWBJR-CYBMUJFWSA-N	233.399	4.733	0	10	BJAE	
CCCCCC[C@H](CC1CCC(C)CC1)NC	380051347	LXOCECFYQRVXGA-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@H]1CCC[C@H]1C	383225017	GJCVFMSYXNBQMO-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@@H](C)C(C)(C)C	383256152	WZZXKXXYQWLVPG-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCC23CCCC3)C1	385586411	GZUGAZINMVZGGV-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](Cl)/C=C\c1c(Cl)cccc1Cl	393549973	BYZLUGSHZPFAAZ-KXTMECRCSA-N	235.541	4.634	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)C2CCCCCC2)CC1	394423630	SXXVGRXUJDFPLX-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CNc1ccc2sccc2c1	394594465	JRTKINNHFHHHRE-UHFFFAOYSA-N	233.380	4.749	0	10	BJAE	
CCc1ccc([C@H](O)C2(C)CCCCCC2)cc1	394673069	RUCPGGZKYFAZKS-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CCC[C@@H](Nc1c(C)cccc1F)[C@@H]1CC1(C)C	397828009	WKXJFAMAVYTYAB-GXTWGEPZSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC(C1CC1)C1CC1	400844935	UPWQVVMRSLYHLH-IUODEOHRSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](c1nc2ccc(C)c(C)c2[nH]1)C(C)C	587956602	UEGFPRRMQZRFAL-CYBMUJFWSA-N	244.382	4.719	0	10	BJAE	
CCCC1(CNc2cc(CC)ccc2CC)CC1	687544365	NUKCLQYCZXMCLT-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
N[C@@H](CCCC1CCC1)C1CCCCCCC1	688356066	LGNVXZVJWDNKCO-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@@H]1CC2CCC1CC2	691751761	ZQIWHKREJPHSFG-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCC[C@@H](c2ccc3sccc3c2)C1	691833145	FGOMRYBQCHLZCY-LLVKDONJSA-N	244.359	4.518	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCSCC2)c1	692484081	GSPMPYQMMQSJQX-CQSZACIVSA-N	249.423	4.508	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1C=CCCCCC1	694669132	CRRWLWGTAUJYFH-RDJZCZTQSA-N	249.442	4.824	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1nsc2ccccc12	695155592	JWFSVZGSAMVQGN-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
CCCC[C@H](CCC(C)(C)CC)NC(C)C	696766412	BCYMGQVXARLXLP-CQSZACIVSA-N	227.436	4.760	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1cc(F)ccc1C	697770625	FJRRRHUWSCWGJP-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCC(C)(C)[C@@H](NC)c1cc2ccccc2s1	701133029	XCMFODRFDSTGQW-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CCN[C@@H](c1ccc(C)c(C)c1)C(C)(CC)CC	701205531	NIMWCFAKJIPALZ-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCC[C@](N)(CC1CCCCC1)[C@@H]1CC1(C)C	704474170	LSTPAIBVFOSTLV-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
C/C=C\[C@@H](NCCC)C1CCC(CCC)CC1	704584748	ZFWRYHWCUWGVMB-YGMIWGJLSA-N	237.431	4.537	0	10	BJAE	
C/C=C\[C@@H](NCCC)c1cccc(C(C)(C)C)c1	704669103	YLCVJLOJHSRQAC-CXOKCQFOSA-N	245.410	4.601	0	10	BJAE	
CCC[C@]1([C@@H]2CCCC[C@@H]2C)CCCCCN1	704799877	ULYUDFSMAMPGNE-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CC(C)c1ccc([C@@]2(N)CCCCC[C@H]2C)cc1	704941206	LDJWADMTDYDKCD-RHSMWYFYSA-N	245.410	4.564	0	10	BJAE	
C[C@@H]1Cc2nc([C@H](C)CC(C)(C)C)[nH]c2[C@@H](C)C1	709277325	XQPVGAXSQRYRSF-SDDRHHMPSA-N	248.414	4.635	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2CC3CCC2CC3)CCCC1	709435860	OPVRIFIKWPIBAP-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C1CCCC1)C12CCC(CC1)CC2	710264404	WNUARQRXFVBFQW-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H](N)C1CCCCCCC1)C(C)(C)C	710757717	AKHVFPUTWWWUBH-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC[C@H]2C(C)C)cs1	710760174	QHZFXTWPUZENAQ-UONOGXRCSA-N	237.412	4.683	0	10	BJAE	
CCCNCC(CC)(CC)C[C@@H](C)C(C)(C)C	711171399	HILSCMDMFFCBBT-CQSZACIVSA-N	241.463	4.865	0	10	BJAE	
CC[C@@H](CC(=O)c1ccccc1C)C(C)(C)C	711177524	LEZZIJYHYWJGGC-ZDUSSCGKSA-N	232.367	4.640	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCCCC1(C)C)C(C)(C)C	711218909	OOEZIGYYRUDEPH-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
Cc1cc(C)cc([C@](C)(O)CC(C)(C)C(C)C)c1	713182880	MIZCUSSNLCZQFL-QGZVFWFLSA-N	248.410	4.583	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C(C)C)[C@@H](C)C(C)C	713210378	DFIUVABCWVJWGL-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CC/C=C/C[C@H](C)c1ccc(F)c(C)c1	714551337	BRRJAKCBGJPYBL-QRGHLMKCSA-N	206.304	4.594	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](C2CC3(CCC3)C2)C1	717564097	QFSPAXYPNUUXEQ-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC1(CN)CCC=CCC1	718036651	FYCRPALYRFDOCD-OAHLLOKOSA-N	237.431	4.668	0	10	BJAE	
CC1(C)CC(COc2ccccc2C(C)(C)C)C1	723557998	QWLXZXINPZTXCL-UHFFFAOYSA-N	246.394	4.799	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@@]12CCCC[C@@H]1C2	822083046	UIONDJRMTNONJA-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](N[C@H](C)CC(C)(C)C)C1CCC1	1205702316	CHMJMASOFVIKRE-HIFRSBDPSA-N	239.447	4.760	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)c1cccc(F)c1	1258076827	QVPAAKAWURRDKH-UONOGXRCSA-N	249.373	4.611	0	10	BJAE	
CCC1(CC)CCN(CCC2=CCCCC2)CC1	1559763556	LWBMQHPPLINQHC-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
C=C/C=C/CCN(CC(C)C)c1ccc(C)cc1	1559921091	FSAFEZAPUIBHGT-VOTSOKGWSA-N	243.394	4.590	0	10	BJAE	
CCC1(C)CCC(NC2CCC3(CC2)CC3)CC1	1560807533	IERKJAADZNHGAU-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CCCC[C@H]1CNC1CCC2(CCC2)CC1	1655473505	CAXAFABUKWYHPR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C)(NCC2CCCCCC2)CC1	1655532630	GNYDLPFSRLJPAY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)=CCC[C@H](C)COCc1ccccc1	1888065817	KHZLQJMBUPKTFA-INIZCTEOSA-N	246.394	4.976	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1cc(F)ccc1Cl	1901628904	YLCTVNZUTDBGHY-UWVGGRQHSA-N	243.753	4.572	0	10	BJAE	
CCc1cscc1NC[C@@H]1CCC[C@@H](C)C1	1902376489	IWYFPODIOCIGMB-VXGBXAGGSA-N	237.412	4.549	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCC(C)(C)C1	1905301492	GEKBPJZPINFZLZ-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)CCC=Cc1ccccc1	1911959089	DYYAYTJRESXGHN-RDJZCZTQSA-N	246.394	4.523	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C1CC2(CCCC2)C1	1912604708	NPMCJXFAXUEDRU-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1N[C@@H]1CCC2(CCCC2)C1	1916439866	BPARFNAHTJWGSV-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@H]1C[C@H]2CC[C@H]1C2	1919970425	RMGYFXGNOHLNNM-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCCC1CC([C@H](CCC(C)(C)C)NCC)C1	1921270715	GJMGNDWBBWEWNX-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@H](NC)[C@H]2CCCC23CCC3)CCC1	1921595649	QKSIDNNMBUXXNW-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCCCCN(Cc1ccccc1)[C@@H](C)CC	1923527096	ODBHMCYRCNKWST-INIZCTEOSA-N	247.426	4.867	0	10	BJAE	
CN[C@H](CCC(C)(C)C)[C@@H](C)C1CCCCC1	1924077053	YLAPLDDPDPWNCN-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)[C@H](C)C1CCCCC1	1924099674	LBQVYCXMWAXNJH-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCCC[C@](C)(CN)C1CCCC1	1924102486	ZXJVMLIXDZSUJL-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2C=CCCCC2)C1	1925820757	RHXYIIOTZHPBQY-KFWWJZLASA-N	206.373	4.949	0	10	BJAE	
CC1CCC([C@@H](N)CC2(C)CCCCC2)CC1	1940405701	DFUBIABTOOOKCK-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]1CCCC[C@@H]1CC1(C)CCCCC1	1940417817	YIYMTPCAJKWMRV-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@@H](CC)C(C)C	1941267416	RNELIOCASJRNFI-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](NCCC1(C)CCCCC1)C1CC1	1945433341	ZUOOMQGJKBMYTB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc(C)c(C)c1	1947457331	FKTOSRWTXUUMAQ-HOCLYGCPSA-N	231.383	4.684	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@H]1CCCCC12CCC2	1947863573	IYEHNIQQJIRZFY-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC(C)(F)CCNC1CCCCCCCCC1	1947882603	ZXUWJHHKCRDZFB-UHFFFAOYSA-N	243.410	4.607	0	10	BJAE	
CCc1cscc1[C@H](N)C1=CCCCCCC1	1948011235	JEYXHUPKHJDBMR-OAHLLOKOSA-N	249.423	4.591	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)C1CC(C)(C)C1	1948156282	VFIODRPUMJIMDS-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1ccc([C@H](N)C2=CCCCC2)s1	1948967139	HEPSSEADXUAQKI-CQSZACIVSA-N	249.423	4.546	0	10	BJAE	
CC(C)=CCC[C@]1(N)CCC[C@H](CC(C)C)C1	1949023909	GYNSJAWZZXBPNE-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC[C@@H](CCN)C1	1950515363	LCEQLTRLRBKAHB-HOTGVXAUSA-N	239.447	4.748	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CCCC2(C)CC2)CC1	1950930143	MWDQDBZPTXDYQI-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
O=C(CCC1CCCC1)c1cc(Cl)cs1	1958192068	XPOKDHJGVDDUAS-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1ccc(C2(C)CC2)cc1	1967848452	RHPDUDVEHCASQW-CZUORRHYSA-N	243.394	4.729	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC23CCC3)cc1C	1968255500	YIUQCAAXQJKQSB-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
C[C@@H]1CC[C@H](COc2cccc3ccccc23)C1	1968275457	KYOYELMBRJYUKU-KGLIPLIRSA-N	240.346	4.655	0	10	BJAE	
CCCC(CCC)CNC(C)(C)c1ccccc1	1968636818	HIAVRPYZONXJSX-UHFFFAOYSA-N	247.426	4.728	0	10	BJAE	
Cc1cc(C)c(-c2ccnc3ccccc23)cc1C	1971140582	BXVNROIZPSIJMB-UHFFFAOYSA-N	247.341	4.827	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CCC12CCC2	1972258673	DFGWHEMCBPYOCL-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCc1csc(C2(C)CCCCCCC2)n1	1981426299	DCMSSMUWVOFDRM-UHFFFAOYSA-N	237.412	4.708	0	10	BJAE	
C1=C[C@@H](CC[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	1986157703	VPLRGPOMQSWHOA-FPCVCCKLSA-N	218.384	4.949	0	10	BJAE	
CC[C@@H](C)c1csc(C2(CC(C)C)CC2)n1	1988522672	ANQKMIXQFXJABR-LLVKDONJSA-N	237.412	4.734	0	10	BJAE	
CCC[C@H](C)C(=O)[C@H]1CC[C@H](CCC)CC1	1989780313	RDDXPMKUUYYCQS-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1CCC[C@H]1C	1990092259	XDGSAWYSAXCFSL-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CCCC(C)C	1990810151	QUDOMUGNCLMNLO-HNNXBMFYSA-N	227.436	4.569	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(Cl)c(F)cc1C	1995047091	DQNVWHABPIJSGI-SNVBAGLBSA-N	243.753	4.778	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)CC1(CC)CC1	1995261389	DQGPKGDMYUOKQC-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)[C@H](C)n1ccnc1C1CCCCC1	1995885636	OMDAHLILPHFHDQ-OLZOCXBDSA-N	234.387	4.538	0	10	BJAE	
C=CC=CCCNc1ccccc1SCCC	1996572788	GXJGQYXRFIRTOA-UHFFFAOYSA-N	247.407	4.733	0	10	BJAE	
C=CC=CCCC(=O)[C@H]1CCC[C@@H](CC)CC1	1997117467	RAIXTBGKTKUIGN-CABCVRRESA-N	234.383	4.684	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CCCC1(C)CC1	2000296333	RCDLMVJMDOVAPH-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](O)CCCC2(C)CC2)C1	2002984913	PUGRZBJWPOKTRV-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCCC[C@@H](NCCC)c1cccs1	2003687574	HOEMNTKPCOTIDW-CQSZACIVSA-N	249.423	4.701	0	10	BJAE	
CC(C)c1csc(C2(C)CCC3(CC3)CC2)n1	2007691920	CVYQXGQHDRKGRR-UHFFFAOYSA-N	249.423	4.878	0	10	BJAE	
CCCCC[C@@H](NCC)C1(C2CC2)CCCC1	2008481487	CNWARBXCAUTLEY-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC=CCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1O	2009592065	JTQHHRGMSNHSTN-RRFJBIMHSA-N	238.415	4.556	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](CC)CC[C@H]1NCC	2009619725	NYOOLCHGGNVIOB-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(O)(CCC(C)(C)C2CC2)C1	2009718419	XVORISSOCANTCG-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CC(=O)CC1CC2(C1)CC(C)(C)C2	2011845897	PKGIFUOSIACXQD-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CCCC(C(C)C)C(C)C)NCC	2015409139	OIKPHWMWMTWMRW-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCCC1(C[C@]2(O)CCC[C@@H]2C(C)C)CCC1	2015630642	BCRFOXFHACYNFG-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CC[C@H](CC(C)C)NCC)CCC1	2015649108	WUPSGJLRBYUINW-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)CCC=C(C)C	2016143378	FDIWEYLHWUPBNV-ARFHVFGLSA-N	237.431	4.680	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCC[C@@H](C)[C@@H]1C	2016150741	XRKGFEPFLFBZDY-FXUDXRNXSA-N	237.431	4.536	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@]1(C)C[C@H]1C	2016466515	HTLHQGOFWACUDI-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CC1(C(C)C)CCC1)C1CCCC1	2017141534	CRDYRZJUXWNZMH-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(C)CC[C@@H](N)C2)CC1	2017732439	BAYNYEFUFUYUPQ-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@H]2CC[C@H](C)CC2)C1	2017773677	DLHLBSMAOSMVGK-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(O)CC(C)(C)C2)CC1	2017774988	VZRVAJIWIQLEAZ-HDJSIYSDSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H](N)C2(C(C)(C)C)CCC2)CC1	2018998717	WDJKZORTADBRFV-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@@H]1CCC[C@@H](CC)C1	2019181335	JLOSLYHLIMVBPY-BZUAXINKSA-N	237.431	4.610	0	10	BJAE	
CCNCCCCC1CC(C)(C)CC(C)(C)C1	2024091414	IHZDVQVGOQUQSG-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2024093954	GJUZBBYEAUMOJB-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)C2(C)CCCC2)C1	2024102563	UJOLQLJARDDCGZ-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C(=O)c1ccc(-c2ccccc2)s1	2025598030	UAGRJTLYRZXZJZ-LLVKDONJSA-N	244.359	4.644	0	10	BJAE	
CCCC1([C@H](O)c2c(C)c(C)cc(C)c2C)CC1	2026879198	UDWLARHYDQPGGC-MRXNPFEDSA-N	246.394	4.534	0	10	BJAE	
CC1(C[C@@H]2CCc3cc(N)ccc32)CCCCC1	2027306711	NTSQLCHPFVXUGZ-AWEZNQCLSA-N	243.394	4.659	0	10	BJAE	
CCCc1ccccc1[C@H](NC)[C@H](CC)C(C)C	2028250926	BNGOZZDNHYOUQI-NVXWUHKLSA-N	247.426	4.582	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)c1cccc(C2CC2)c1	2028563764	XGYSSCUJTAWZRJ-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C[C@@H]1CCCCC(=O)C1	2029173060	BJFONQGCVAUXIC-ORIJERBGSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCC1(C2CCCC2)CC1	2029738596	UCXSXIIJWDEXHL-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(CC(=O)CC2=CCCCC2)C[C@H](C)C1	2031829124	UKFXBIKVCFECOM-ZIAGYGMSSA-N	248.410	4.908	0	10	BJAE	
CC(C)NC[C@@]1(C2CCCCCC2)CC12CCC2	2032136832	XGOOTFXKMHHYRY-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)c1ccc(C2CC2)cc1	2032478752	NTWHTIADYUGFQA-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CC1(CN2CC=CCC23CCCCC3)CCCC1	2032664302	UUYJZNZXPGTRHY-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H](C)[C@@H]2C(C)C)c(F)c1	2035407638	HMTSOFDUMRGECI-MAZHCROVSA-N	249.373	4.617	0	10	BJAE	
CCCNC[C@]1(C[C@H]2C=CCC2)CC[C@@H](CC)C1	2035587463	DQDCDLCHYCWBCF-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCC/C=C/CN[C@H]1CC[C@@H](C)c2ccccc21	2036763237	NAPLUTWKMGMISS-NKONXVNESA-N	243.394	4.571	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCCC12CCCC2)C1CCC1	2037157964	QHZIFBLGSFXPPL-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CCC1=CCCCC1	2037171002	AKGWDDCVFKACNR-GVDBMIGSSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CCCC=Cc1ccccc1)C(C)C	2038072085	OIZBWFJFVIIJKC-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2CCC=CCC2)CC1	2039374453	LFGJUYXBZMHXHF-HOCLYGCPSA-N	248.410	4.908	0	10	BJAE	
Cc1ccc([C@H](N)[C@@H]2CCCC(C)(C)CC2)cc1	2039374754	HXPRSSJQFDBIMQ-GDBMZVCRSA-N	245.410	4.601	0	10	BJAE	
Cc1ccc(F)cc1C(=O)[C@H]1CCC[C@@H](C)CC1	2039378613	YCFNSKCTIDIRIG-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)C1CC(CN[C@@H]2C=CCCCCC2)C1	2043024287	KZZXEBYXIAZBCU-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
NC1(C[C@@H]2CCC=CCCC2)CCCCCCC1	2045320150	KLJJETUJDFLYHK-MRXNPFEDSA-N	249.442	4.955	0	10	BJAE	
CCN[C@@H]1CC[C@](C)(C[C@@H]2CCC=CCCC2)C1	2045326999	RZKDKSBLOYCQLJ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H]1C=CCCCC1	2045563286	IHGPZWROGXAMCP-ARFHVFGLSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCC1)C1(C(C)C)CCC1	2045817663	FZGGLQWRRQGFNH-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@@H]2CC23CCCCC3)C1	2047065465	NKSXKRQCLSPJRA-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
C1CCC(NC[C@@H]2C[C@H]3CCCCCC[C@H]32)CC1	2047410909	WJKWLBUQNIKBIU-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(CC1[C@@H]2CCCCC[C@@H]12)C1CCC1	2048439956	RLZNSIACTUXTJF-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1[C@H]2CCCCC[C@H]21)C1CCCC1	2048471627	MRLJRSSYJFFPEO-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)[C@@H]2CCC[C@H](C)C2)c1	2049535220	CWKNRJXWSGDVGD-APHBMKBZSA-N	245.410	4.930	0	10	BJAE	
C[C@@H]1CCCc2nc([C@@H]3CCCC(C)(C)C3)[nH]c21	2049569675	FTUQYKRISXRLHE-VXGBXAGGSA-N	246.398	4.533	0	10	BJAE	
CN[C@@H]1CCCCCC[C@H]1C[C@H]1C=CCCCC1	2049682024	RIJCUJHLTSOXFP-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CCC2(CC2)C1)C1CCCC1	2049933560	QEDNRPSIMNOPLY-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@]2(C)C=CCCC2)CC1	2050008866	KJMZHMURRIUIBF-QGZVFWFLSA-N	248.410	4.908	0	10	BJAE	
Cc1cccc(F)c1NC1C2CCCC1CCC2	2050042343	OWTVPLBDBGMRJU-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1C2CCCC1CCC2	2050043559	VAKUVRFGPSKFTA-STXJZCLZSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc([C@@H](N)CCC2CCC(C)CC2)c1	2050459815	ATLAJSIYEGCNTF-PGEKIEPBSA-N	245.410	4.601	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2051601658	HLOPREKXONWRLB-ZIJBQXMVSA-N	249.442	4.501	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CCC[C@@H]2CC[C@@H]21	2052286640	MXUAZHUZFHEPDR-HYVNUMGLSA-N	241.378	4.555	0	10	BJAE	
CCCN[C@H](CCC1CC1)[C@@H]1CCCCC12CC2	2053411525	KLYAHIMANXXZKE-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccncc1NCC(C(C)C)C(C)C	2053854672	VZOQFKWDWURFLK-UHFFFAOYSA-N	248.414	4.545	0	10	BJAE	
CN[C@H](C1=CC[C@@H](C)CC1)[C@@H]1CCCC(C)(C)C1	2060922209	QDOCNRIYWZJBNA-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C1=CC[C@H](C(C)C)CC1	2061140339	MOJAYTSBBXFULC-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(N)(CC2CC(=C3CC3)C2)C1	2061673089	YPOJTACLGYIMQH-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CCCC[C@H](CCC1CC(=C2CC2)C1)NCCC	2061739398	MZMONDHDHMOIGN-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063515509	JYQVBFJTRAAQLQ-LISQQWEMSA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(CC1(C)CCCCC1)c1occc1C	2063676781	BYAWCNIMNXWLTL-INIZCTEOSA-N	249.398	4.513	0	10	BJAE	
CCCCCCC1(CNC)CC2(C1)CC21CCC1	2064005802	UXXKWWFWLMGYNP-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1CC2(C1)CC21CCC1	2064128000	UWMCRKSQMGGSMR-TUBUQKNSSA-N	248.410	4.598	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@H]1C[C@@H]2CC[C@@H]2C1	2068707861	MUZZPLBDQREKAN-LVQVYYBASA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@H](N)c2ccccc2CC)CCC1	2069267676	FBKYVEFNRGCRIR-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@H]2CC23CCCC3)CCC1	2069336012	VDPWMLHWQGXCST-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](NCC)C2CC3(CC3)C2)CCC1	2069342457	OVAKCOQJFUHLST-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)NC1CC(C2CCCC2)C1	2070398673	MXHBAGWIWPUFBR-OOHWJJMZSA-N	249.442	4.680	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@H]2C2CCC2)CCC1	2071794479	NNSBLFKCAOOVLH-DLBZAZTESA-N	249.442	4.658	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNC2(C(C)(C)C)CCC2)C1	2071870686	JKADYKXEBXIFKB-UKRRQHHQSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(CNC2CCC3(CC2)CC3)CCC1	2071939298	YLLLVCUMTZPSDF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)Cc1ccc(C(=O)CC[C@H]2C[C@@H]2C)cc1	2072083186	PDZVFTCKVVLZIB-BBRMVZONSA-N	244.378	4.504	0	10	BJAE	
CCCCC[C@H](CC)NCc1ccc(C)cc1C	2073289392	WWHJBYXINJIPOH-KRWDZBQOSA-N	247.426	4.752	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CC[C@]23CC[C@H](C)CC3)C1	2074893268	SOKFMERGAHJUDR-MWDXBVQZSA-N	249.442	4.610	0	10	BJAE	
CCCCN(CC=Cc1ccccc1)[C@@H](C)CC	2074922826	RZLWGHBJXHENBZ-INIZCTEOSA-N	245.410	4.600	0	10	BJAE	
CN(CCC1=CCCCC1)C1CCC2(CC1)CC2	2075155207	ZVUWYCMWIWJQCU-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
CCCCC1CCC(N)([C@H]2C=CCCCC2)CC1	2075365126	KYYPWFLEBHPDSF-CGZBRXJRSA-N	249.442	4.811	0	10	BJAE	
CC=C(CC)C[C@@H](NCCC)c1ccc(C)cc1	2077194453	BQCNXLJUDMKUNR-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2C[C@@H]2C2CCCC2)C1	2079492214	PDEBOAGBXJRSFW-OCVGTWLNSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2C[C@@H]2C2CCCC2)C1	2079493776	ZSVWUOQJGSZDPD-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2081133527	RBOJWXAPLNBMIH-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C[C@]23CCC[C@H]2C3)C1	2082984750	DCCINBHDNRQSER-JKIFEVAISA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@H](CCC2(F)CCC2)c2ccccc2N1	2084767382	OPHNNRMUVXBXBF-STQMWFEESA-N	247.357	4.647	0	10	BJAE	
CCCN[C@H](CCC(C)C)C(C)(C)CCC	2212117142	NBRUOJFSGPOVEG-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CC[C@@H]2C[C@H]2C)CC1	2215302223	QKGYSQUASCRCMY-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC2(C)CC(C)(C)C2)CC1	2215434857	UJMYTRUTGHJUNY-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(Cl)cc([C@H](C)Nc2ccccc2)c1	2216167614	AQRMSLPWPWIMMB-LBPRGKRZSA-N	245.753	4.822	0	10	BJAE	
CCC1([C@@H](N)CCCCCCCC2CC2)CC1	2216879411	IUOIGEJIXFCIQS-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC(C)=CCCN1CCCC12CCC(C)(C)CC2	2218019419	YNTDZWBEMUVMCR-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C1C[C@H]2CCC[C@H](C1)C2	2218348938	DOMVXSYBIXLOLB-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C(CCCN1CCC2(CCCC2)C1)CCC1CC1	2218731734	LVUQFBUAFVQRRH-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCN[C@@H](CC1(C)CC2(CCC2)C1)C1(CC)CC1	2221014371	BZEDGPMUGBLDQL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)C23CCC(CC2)CC3)C1	2221028078	MOQQFJHFHARMGM-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1NCCC1=CCCCCCCC1CC1	2223108486	DVBIDGDBCOCUQP-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC=CC[C@]1(CNC1CCC1)CC(C)(C)C	2223542535	RIGRDPWVSJWINY-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC1(CNC2CCC2)CCCC1	2223550102	LOAKCVFKMBDNAW-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN(CC[C@@H](C)CCCC(C)C)C(C)C	2244842743	XENQHNVLYBXRIU-HNNXBMFYSA-N	227.436	4.569	0	10	BJAE	
CC(C)CC(=O)CCC[C@H]1CCCCC12CC2	2246628572	YVZMOXQJZYZXBT-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@](C)(O)C1CCCCC1	2247117671	FGXORVVJZLFKBT-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CC1=CCCCC1	2247491183	WTAOYJVSJSYNFA-CVEARBPZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(O)(CCCCC[C@@H]1C[C@@H]1C)C(C)C	2248870377	LVUKWIDRGYFNRI-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CNC[C@H](CC[C@H](C)CCCC(C)C)C(C)C	2250491103	NHPIXYIZCOZJEW-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CC(C)=CC[C@H](N)CC[C@H](C)CCCC(C)C	2250528640	NRDXNYOONAWQPD-CVEARBPZSA-N	239.447	4.913	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@@H](C)C1CC1	2250531461	YCNNXVBXANTSSX-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(NC[C@]23CCC[C@H]2CC3)c(Cl)c1	2251162043	JBUZMVOTHVFGAF-SWLSCSKDSA-N	249.785	4.641	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@]12CCC[C@H]1CC2	2251174848	JCARLUDOJOTEFB-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@@]12CCCC[C@H]1CC2	2251211125	JBSMMKZNVAYUIP-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC(=O)CC1CC(CC(C)(C)C)C1	2251583308	UYUVAPYLCWPMKK-UHFFFAOYSA-N	236.399	4.764	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)C[C@H]3CC[C@H](C3)C2)C1	2253997858	SDIPJJUFXWGRAL-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)[C@@H]2CCC23CCC3)C1	2254022317	RSLJGTAFNKOVRV-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CCCC[C@H]1C[C@H]1C	2254576389	GUSBZIOQPBHMPS-BQJWPVKWSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@H]1CCC12CCC2	2255025907	PCRSYYCUTZQEAP-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	2255027130	RYJUIIRBEBWVDF-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)CC2=CCCCC2)cc1	2255064404	QLAFOSVBSZJYDD-AWEZNQCLSA-N	242.362	4.558	0	10	BJAE	
CC(C)(C)NC[C@H]1CCC[C@@H]1CC1=CCCCC1	2255140041	JURKFBGPMQUPAT-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccc([C@H](O)[C@H](C)CCC(C)C)cc1	2256318326	RQJQWNXLPFVQBR-RHSMWYFYSA-N	248.410	4.745	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@]12CCC[C@H]1CC2	2260509360	UXLSAIVCOXDWRZ-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@]23CCC[C@H]2CC3)cc1	2260515009	DQBFYNWNRLLEBG-RDJZCZTQSA-N	242.362	4.573	0	10	BJAE	
CC(C)(NC[C@]12CCC[C@@H]1CC2)C1CCCCC1	2260577919	IQPBDOFGSGPBNW-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@]12CCCC[C@@H]1CC2	2260655937	DVOGXPGUOUBKMF-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C(=N)Nc1cccc(C2CCCC2)c1	2260722840	FNNNGXKWVKDBKY-UHFFFAOYSA-N	244.382	4.779	0	10	BJAE	
CCCN[C@H](CCC1CC(C)C1)C[C@H]1C=CCC1	2261487989	BDQDEVAMRYWXCX-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)[C@H](C)CC1CCC1	2298857993	LBKAYMMRPDWYKY-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCC1)[C@@]1(N)CCCCCC1(C)C	2298926894	PXHXHOPQYXPPLM-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(O)CCCC(C)C)C1	2300470855	DNCOGZZEGUVQPV-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)C1CC(C)C1	2300676823	SMTVQVGWLKGXNZ-AVVWSFFYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@]1(C2CC2)CCCCCN1	2300696976	JOEPLARYJHHYOA-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)CC[C@H](C)C(=O)c1ccccc1	2300699489	GWNBTCMCLYKSTE-ZDUSSCGKSA-N	232.367	4.722	0	10	BJAE	
CCC(C)(C)[C@@H](O)CC=C(C)CCCC(C)C	2300930440	ZLVCEJQQMIGODR-HNNXBMFYSA-N	240.431	4.946	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1CCCCCC1)NC	2301236287	LJJOATHVMNLNGS-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H](C)[C@](C)(O)CCCCCCC1CC1	2301915638	STJDGKUSZYXSFL-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C)c(N[C@@H](C)[C@@H](C)C(C)C)c(C)c1	2301927785	DQJDZRDXFOACEW-GJZGRUSLSA-N	233.399	4.704	0	10	BJAE	
CNC(CCCCC1CC1)CCCCC1CC1	2302570042	SWFVLXFSUOQUIL-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC(C)(C)C2)C1	2302748311	MHFGGCMPOGDEAG-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@H]1CCC(C)(C)C1	2302896241	PQLHICAUGMEEKD-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@H]1CC[C@H]1C(C)(C)C	2303466245	ULTQWASALBPXJG-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@]1(C)CC=C(C)CC1	2307891660	ABNJDOBJGNWKEO-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)CC1(C)CC1	2307905507	XIINPTCVIYCMIJ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](N)c1ccc(C)cc1	2307907519	CRGQQEWZTFUPQU-GOEBONIOSA-N	233.399	4.601	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2309180573	FXHGRCLMFSLMIE-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CC[C@@]23CCC[C@@H]2C3)C1	2310380357	UTTCDPWPFGOVRY-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@]1(N)C[C@@H]1C[C@H]1C1CCCCCC1	2311569527	OMJNZGJHCHKBBB-HJWJTTGWSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(C[C@@H]1C[C@@H]2CC[C@H]1C2)C1CCCCC1	2312878572	WSGHKWHPEYZCAK-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@@H]1C[C@@H]2CC[C@H]1C2)CC1CCCCC1	2312959358	DBUZBSVTJFOQLY-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)[C@@]23CCC[C@@H]2CC3)C1	2313294924	JGHTWROSICMOPO-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)Oc1cccc2ccccc12	2313612611	OPXFXQNNGZPDOX-CYBMUJFWSA-N	240.346	4.797	0	10	BJAE	
CCC(CC)CC[C@@H](NC)C1CC(=C2CCC2)C1	2316247751	IAGJSINBTRDCEI-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(=CCn1ccnc1C(C)C)CCCC(C)C	2316514413	DOSBFCIXOBNLDL-UHFFFAOYSA-N	248.414	4.779	0	10	BJAE	
CC(=CC=C1CCNC[C@@H](C)C1)CCCC(C)C	2316556019	CWVWIIJTEDCZNU-INIZCTEOSA-N	249.442	4.705	0	10	BJAE	
CC1CC(C)(CC(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316751404	DDOATANPDTVEIG-WHJSIAKGSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CCn1c(C)cc2cc(F)ccc21	2317555105	GHWSJHSKNWVLOC-UHFFFAOYSA-N	247.357	4.915	0	10	BJAE	
C[C@@H]1CCC[C@H](CNCCCC2=CCCCC2)C1	2318528599	HOIVKBQNOLRIMS-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)CCCC12CCC2	2318536222	DDHIGWFCANIQOZ-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)C1CCCCC1	2318577486	XHTVJVNQCWUDDF-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC(C)C1CC(N(C)CCCC2=CCCCC2)C1	2318584065	WLEWIKCBFSPHSX-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CC(=C[C@H]1CCC(C)=C(C)C1)c1ccc(N)cc1	2320339459	DSSYUZVFIWUWPL-HNNXBMFYSA-N	241.378	4.809	0	10	BJAE	
CCC1(CC(=O)c2cccc(C(C)C)c2)CCC1	2320573599	SEDVXPPSAQJYHO-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C23CC(CC(C)C)(C2)C3)C1	2321588288	DSNSNWDFKKMIBP-VXLLPVPCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)CC[C@H]3CC[C@H]2C3)C1	2321652090	SUFASJAXEMLEGV-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@H]2CC=CCC2)c1	2327708753	RTDAHIKPAGVMKD-WMLDXEAASA-N	244.378	4.508	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)c1cc(C)cc(C)c1	2328272467	LLSDBGKXNVXBJX-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
Cc1ccccc1[C@@H](C)NCCC1=CCCCC1	20008467	GTIISPIYZDGALZ-OAHLLOKOSA-N	243.394	4.536	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(F)cc1C	20546111	AJFHRUZQXJHXST-LBPRGKRZSA-N	223.335	4.515	0	10	BJAE	
CC(C)c1cccc(Oc2cccc(Cl)n2)c1	70154336	NTORNOVKEWCKPV-UHFFFAOYSA-N	247.725	4.651	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccc(Cl)cc2C)C1	70748781	HJXITPFZXKUBRG-WCQYABFASA-N	237.774	4.639	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(c2ccc(C(C)C)cc2)C1	71127570	SVXPXQOPIINXGQ-RHSMWYFYSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(c2ccc(C(C)C)cc2)C1	71127574	SVXPXQOPIINXGQ-PBHICJAKSA-N	246.394	4.598	0	10	BJAE	
CC[C@@H](Nc1cc(Cl)cc(Cl)c1)C1CC1	83054150	SKAHMBSZPLKNTK-GFCCVEGCSA-N	244.165	4.594	0	10	BJAE	
CC(C)C[C@H]1CN[C@@H](C(C)(C)C)c2ccccc21	84230526	LGEWKZKFRVVAIE-XJKSGUPXSA-N	245.410	4.507	0	10	BJAE	
CSc1ccccc1NC1C[C@@H](C)C[C@@H](C)C1	84464411	MTTPNVRBWDKFSG-FUNVUKJBSA-N	249.423	4.645	0	10	BJAE	
CCCN[C@@H](c1ccoc1)C1CCC(CC)CC1	85081151	ZPYIRNRRDSCQDG-ZBCRRDGASA-N	249.398	4.537	0	10	BJAE	
CCCN[C@H](C1CCC(C)(C)CC1)[C@@H](C)CC	93188274	PKQMAMSRZQKEOT-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(-c2cc(N)sc2C)cc1	105882744	GWXPRTVMYWDXDX-JTQLQIEISA-N	245.391	4.819	0	10	BJAE	
CC(C)(C)c1c(Cl)cccc1C(F)(F)F	114626726	YFVYFYYSRVTMME-UHFFFAOYSA-N	236.664	4.656	0	10	BJAE	
CN[C@H](C1CCCCCCC1)C1CCCCC1	126455831	ZQUDBGAGFVCQCX-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCC[C@H]1NC1CCC2(CCCC2)CC1	129210020	CNERFONULSVMKB-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCc1cccc([C@H](N)CC2CCCCC2)c1	131528389	MLBYWTZBQHOIKQ-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCCc1csc(C2CCCCCC2)n1	132063785	LWIYSUQKPNSFAB-UHFFFAOYSA-N	223.385	4.533	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2ccccc2)cc1	135789801	PHGFRSRGDKKOPP-CYBMUJFWSA-N	210.320	4.867	0	10	BJAE	
CCC(CC)C[C@H](O)C1CCC(C(C)C)CC1	148119288	RKUGQSPHLAFEAE-GPANFISMSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)CC(O)(CCC)CCC	163758450	FLIIPTSFHUCOKT-AWEZNQCLSA-N	228.420	4.924	0	10	BJAE	
CCCCCC(=O)CC12CC3CC(CC(C3)C1)C2	164761673	BEFIQEGEKIMLBO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1(CC)CCCC1	165772243	ZGDCCEHCNQGACA-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC1CCCCC1)C(C)C	203300455	VDLWYXDCZAFBFG-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@@H]2CCC[C@@H](C)C2)c1	216351153	IEGZFDXNQUYHAG-UHOFOFEASA-N	245.410	4.533	0	10	BJAE	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC1CCCCCC1)C2	218527383	VQAOWXMGXIYMID-QRTARXTBSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CC[C@@H](C)[C@@H](C)C1	220641380	UAUYAJXIXOZBTN-QXSJWSMHSA-N	239.447	4.760	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@@H]1CCCCC1(C)C	226552885	UPSNLJVHBXVBOQ-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H](C)c2ccccc2)C1	230985061	KJJAYLHUHVCKSX-UAGQMJEPSA-N	245.410	4.552	0	10	BJAE	
Fc1ccc(Cl)c(NC2CCCCCC2)c1	231813776	JXQICCHHILHKEG-UHFFFAOYSA-N	241.737	4.614	0	10	BJAE	
CCCCC[C@H](NCC)C1=CCCCCCC1	232956771	NYDMXZPNAIKPNN-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNCC2(C)CCCCC2)C1	235384462	LHCLVAOIOBSLDL-GOEBONIOSA-N	249.442	4.539	0	10	BJAE	
Clc1ccc2[nH]cc(CC3CCCCC3)c2c1	236075189	CWHSLVRLHPEXLN-UHFFFAOYSA-N	247.769	4.944	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@]1(O)CCC[C@@H](CC)C1	251659701	NXRCEIXWISUYOZ-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(O)CCC[C@@H](C(C)C)CC1	306101999	PYEQNVCPXOMJEX-XHSDSOJGSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)C1CCC(C)CC1	308044182	DTKVVNJQIQVIKI-SSHXOBKSSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CC(C)(C)C)NCC(C)(C)C1=CCCC1	308766949	FKRQOJKOMONIEA-CYBMUJFWSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@H](CC2(C)CCCC2)NCC)CC1	310147644	LXEOEQPGQIYSSN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)CC1(C)CCCC1	310344480	FQQBAZIBJCLXRT-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)C1(C)CCCC1	310942727	LQJVVWPDZLOFKH-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCCC23CCCCC3)C1	313088723	XNSYPKPYKPDEIH-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCCC)[C@@H](C)C(C)C	319773392	FXGKYQDHCMGJST-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)C1(CC(C)C)CCCC1	319990737	KSHKSAVBXIBGMX-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C1CC1)C(C)(C)C	324301914	UOAQKDITDYUYOM-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
C/C(=C/c1cc(F)cc(Cl)c1)[C@@H](C)Cl	379532828	ZYTHAMZBZRDXMT-LSFDQVSLSA-N	233.113	4.510	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@@H](CC)C2)ccc1C	379767543	KZXPKSBYUNWPGU-UKRRQHHQSA-N	231.383	4.548	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)c1cc(C)c(C)o1	380640567	SSLYWEVETVHKOM-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)C1CCCC1	381163772	AFAMCDBMLPLAFG-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCCCCC(CCCCC)NCCC(F)F	383732124	AWZCQXCVKIVILF-UHFFFAOYSA-N	249.389	4.760	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C[C@@H](C)C(C)(C)C	384504708	QQCSHQLSDNYHEC-CJNGLKHVSA-N	248.410	4.745	0	10	BJAE	
CCCC1(C(=O)c2cccc(CC(C)C)c2)CC1	385093471	KMGCMYGNFCLOBB-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC23CCCC3)cc1	392780401	ZBWZWRITNKTEME-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
C1CCC(CC[C@@H]2NC[C@H]2C2CCCCC2)CC1	395230893	VTQOQEBWMPEBDD-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CCOc1c(CC)sc2c(Cl)cccc12	396184357	BRASGUGXDIFZLM-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2CC[C@H]3C[C@H]3C2)C1	403618387	KLWJUFBJDHNZBT-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(C2(N)CCC(C)(C)CC2)c1	688917929	XPIJHQZGFFLCOB-UHFFFAOYSA-N	245.410	4.564	0	10	BJAE	
CC(C)c1cccc([C@H](O)CCC(C)(C)C)c1	688936769	DMMCJVNGHXAKPA-OAHLLOKOSA-N	234.383	4.670	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)CC2CCCC2)C1	689802899	AMTMJNUUPUBUFZ-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
CC(C)=CCCN[C@@H]1CCCCC[C@H]1C(C)C	691149672	LXGJYZCRTQHVFI-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCC12CCCC2	694472114	GEQSFPJLZCMTSK-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H]1CCCC2(CC2)C1	696016206	FAPVHRFUPKTCQO-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCC[C@@H]2C2CC2)cc1	696105850	RCODFOZBVWNTKF-IAGOWNOFSA-N	243.394	4.630	0	10	BJAE	
CCC(C)(C)C[C@H](O)Cc1ccc(C(C)C)cc1	696552329	YDYPZXPCVSPDPJ-MRXNPFEDSA-N	248.410	4.540	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@H]1CCCC1(C)C	697754925	GBOZLBIHNHVNLL-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2CC2(C)C)cc1	700632895	ANXDIPHEUIDZJG-JSGCOSHPSA-N	231.383	4.658	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)c1cccc(C(C)C)c1	701513618	ZHWVHQFIBDTTTM-PBHICJAKSA-N	248.410	4.916	0	10	BJAE	
CCCN[C@@H]1[C@H]2CCCCCC[C@@H]2C12CCCC2	701880237	CZLCAVXYWVQAPA-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C1(CN)CCCCCCC1	704890703	LEIRWKMWWNUUEL-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCCC23CC3)cc1	706591684	LIRADEQKGJIQSP-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
CC(C)Cc1cccc([C@@H](N)[C@@H](C)CC(C)C)c1	708299710	WIZLVFQWNBXKQA-YOEHRIQHSA-N	247.426	4.567	0	10	BJAE	
C[C@H](NCCCC1CCCC1)[C@@]12CCCC[C@H]1C2	709151672	NDEXUPHSISESNT-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@H]2CCCC(C)(C)CC2)cs1	710757492	GHMRTPRYPNTGBL-LBPRGKRZSA-N	237.412	4.827	0	10	BJAE	
C[C@H](CC(=O)C1CCCCCCC1)C(C)(C)C	711189998	GWBLWYCENOTBNM-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CC(C)(C)CC[C@H]2C)c1	713056125	CPNUYOPQWBKJGU-ZBFHGGJFSA-N	245.410	4.930	0	10	BJAE	
CCCC[C@](CC)(CC(C)(C)C(C)C)C(=O)O	713186570	IPHDCVHCLJHYBV-OAHLLOKOSA-N	242.403	4.730	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC1CC(C2CC2)C1	714626340	NPGFBTASBMIUMO-CGZBRXJRSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@H]1CCCCCC1(C)C)c1ccco1	718937208	DDHRNLZYOYMWEA-HIFRSBDPSA-N	249.398	4.679	0	10	BJAE	
C[C@@H]1C[C@H]1CC1(CNC2CC2)CCCCCCC1	722883809	NIMJJHRFUSLFKW-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)C=C(c2cccc(Cl)c2)CCC1	725350288	SBAOWHCFSBVHKU-UHFFFAOYSA-N	220.743	4.934	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@H](C)[C@@H](C)C1	1560842329	VBYXKGIKDUWOKC-YHUYYLMFSA-N	237.431	4.536	0	10	BJAE	
CCCC1([C@@H](N)CCC(CC)CC)CCC1	1900702312	ORTFQROFMOYQDM-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CCN(C)c1ccc(Cl)cc1	1901160114	QEJKERZBYBUPAR-UHFFFAOYSA-N	239.790	4.603	0	10	BJAE	
Cc1cc(-c2ccc(OC(C)C)cc2)cs1	1901898360	PWLYQQWLNHNHKW-UHFFFAOYSA-N	232.348	4.511	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](C)CCNC(C)(C)C	1905365438	HOVHXADZAHRMSV-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCC)CNC(C)C	1905367889	CBGNCQDZMKZKMX-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H]1CCCCCCCCC1=O	1913387731	AGRQPURCNBJCCO-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@@H]1CCCC12CCC2	1921636255	MVDDOFJHUOMVND-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC1(C[C@@](C)(CN)C2CCCC2)CCCCC1	1924113236	SLCZEWVSDQZTHL-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H](C)C1CCCC1	1924122000	OQOWQKZDOCSHIP-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
OC[C@]1(C[C@@H]2C=CCCCC2)CCC=CCCC1	1925941274	UUMWMMLUWJAYRO-IAGOWNOFSA-N	248.410	4.622	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)Nc1ccsc1Cl	1933236505	KLLCTDJAMKAYKH-VHSXEESVSA-N	245.819	4.884	0	10	BJAE	
CCCCCC[C@H](N)C(CC)(CC)CC	1933701586	VGEARTDYLSLXKN-ZDUSSCGKSA-N	213.409	4.501	0	10	BJAE	
Cc1c(Cl)cccc1O[C@@H](C)CCC(C)C	1937173981	LNPDFKVTVUJTST-NSHDSACASA-N	240.774	4.852	0	10	BJAE	
CCCN[C@H](CCC)CCC1(C)CCCCC1	1940416832	UAVICVHBFFTILT-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C(C)(C)C(C)(C)C	1940873022	ASPNLCUIOLERMS-LBPRGKRZSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](NCCC)[C@H](CC(C)C)C(C)C	1941266823	KDBQANYOVJQQCS-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)[C@@H]1CC1(C)C	1945829380	URUZFDMHEMHTFN-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cccc2sccc12	1945971237	YCDPJUSFWMCQDA-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1C=CCCC1	1947551472	GFOIHYIRPKVWPK-OAHLLOKOSA-N	234.383	4.662	0	10	BJAE	
Cc1c(F)cccc1N[C@@H](C)[C@H](C)CC(C)C	1948324470	AAMADTWHJRYVGP-YPMHNXCESA-N	237.362	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H]1CCCC[C@H]1C	1948931513	YBJQLNOODDUKMY-QKPAOTATSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1CC[C@H]2C[C@@H]2C1	1949002763	WRMCAZDAWIEBLX-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@](O)([C@H]2CCC(C)(C)C2)CC1	1949451242	HGVVHZKSIRFPFN-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@H]2CCC(C)(C)C(=O)C2)CCCCC1	1949657213	YXJYTFBXISCZDQ-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CC1CC2(CCC2)C1	1949856465	BILQHEIVOSPDDL-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC1(CC[C@@H](N)CC2CCCC2)CCCCC1	1949869876	LIVZASFUZGRLFT-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@H]1CC12CCCC2	1950668534	NHCZDEFJJNPXPU-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CN[C@@H](CCC(C)C)[C@H]1CCCC(C)(C)CC1	1950920228	SVDZBLYOIZZIPM-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](C)c1ccccc1	1968436529	NLAPROVKYUMWRZ-CVEARBPZSA-N	247.426	4.896	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc(-c2ccccc2Cl)n1	1968646304	XAZCSSWWJFHATE-SCZZXKLOSA-N	249.766	4.587	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](CC)c1ccsc1	1970831830	ZRRJGYUSVMSMQV-ZIAGYGMSSA-N	239.428	4.758	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)C12CCC(CC1)C2	1973846879	DGZAGCJNUNRXAU-YHNBSYBMSA-N	237.431	4.514	0	10	BJAE	
CCCC(C)(C)[C@@H](O)C[C@H](C)CC(C)(C)C	1976003603	OJNUBENPUGAJCY-STQMWFEESA-N	228.420	4.636	0	10	BJAE	
CCCC[C@H](C)C(=O)c1csc(C(F)F)c1	1978582924	PQFYZGQYVBPZDK-QMMMGPOBSA-N	246.322	4.695	0	10	BJAE	
CCC(CC)C[C@@H]1CCCCCCC[C@H]1O	1980351256	MLPNSMSWWYDONZ-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@@H](C)C1(O)CCCCCCCC1	1980353178	XXTXRBKGZMYWKU-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@](O)(CC)CC1(C(C)C)CCC1	1989443252	UCJGYBBBWJMVGL-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccccc1SC	1989817805	AOAUUTDFLGZJGV-NSHDSACASA-N	237.412	4.645	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1C[C@@H]1CCC	1993068390	DFYUFUFMCPLTEJ-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1C[C@@H]1CCC	1993069541	NHMRSMLMJQWPSW-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCCC1CC1	1995205981	VQBZTOAGJANJHB-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCc1cccc2c(CC(C)C)coc12	1995461610	MZOGPZQMKJPQKO-UHFFFAOYSA-N	216.324	4.584	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H]1CCCCC[C@@H]1C	1995751475	JRYBMIUIQFEFFJ-HOTGVXAUSA-N	237.431	4.633	0	10	BJAE	
CC1(C)CCC[C@H](NC2(C)CCCCCC2)C1	1995827937	ZZVXPUGPOGFQAD-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CC(C)Sc1ccccc1N[C@H](C)[C@@H]1C[C@H]1C	1996563813	JNXAZTUTHIBDMI-JHJVBQTASA-N	249.423	4.644	0	10	BJAE	
Cc1cccc(Cl)c1NC1[C@H]2CCC[C@H]1CC2	1997557399	CQFYAHXQOJPCNE-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@@H]1CCCC[C@H]1CC	2000389613	FQRICADPZCUSGZ-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@H]1CCC[C@@H]1C	2000506480	BCQSHUXFDKZGCR-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](C)(CNCCC)CC1CC(C)C1	2000511703	DKOMYIYUMHPDTP-GPANFISMSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C[C@H]1CCC12CCC2	2001851958	QUKNGQRXUPCHEB-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)C[C@@H]1CCC12CCC2	2001854681	OZLMPEGZKCPTPX-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)[C@H]1CCC[C@H](C)C1	2003009292	YILSECKOGYYOIX-BPUTZDHNSA-N	238.415	4.700	0	10	BJAE	
CC(C)(F)CCCNC1CCCCCCCC1	2003102189	XCOXXBOCXKOTNI-UHFFFAOYSA-N	243.410	4.607	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)CCCCCC2CC2)CC1	2003103356	JMSBXCXMXCBWHK-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCCCCC(C)C)C(C)(C)F	2003231960	MIKJYPVCABPLRK-AWEZNQCLSA-N	245.426	4.709	0	10	BJAE	
CCCC(CCC)CNCC1CC(CCC)C1	2004717334	GARALIJVXKAWKH-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CCCCC12CC2	2005536307	LMWIYUCXYSUYQN-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
C[C@H](C[C@@H]1CCCC(=O)[C@@H]1C)C1CCCCC1	2006986814	FQGHYGRELARQMR-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)C1(C)CCC(C)(C)CC1	2007683734	UMEXZGZUXNHSNW-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCC1CCC(N)(CC2CC(CC)C2)CC1	2007746408	JPESMLBWTIOOTI-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]1CCC(C)(C)CC[C@@H]1CC=C(C)C	2009412699	ZRPVIJDGYCIHOW-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C1(CC)CCCC1	2009545169	XDWDLSXXMKESQD-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@@H](CCC2(C)CC2)Nc2ccccc21	2009549894	VWMHBBGWAACPET-QWHCGFSZSA-N	229.367	4.555	0	10	BJAE	
C/C=C/CCC[C@H](O)c1cc2ccccc2s1	2009594000	SHHRNBLNWXVRLO-IBUXWKBASA-N	246.375	4.681	0	10	BJAE	
CCCCCC1CC(NCC2(C)CCCC2)C1	2009716376	SGNUZTAMEHRBTB-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC1CC(O)(CCCC(C)(F)F)C1	2009716862	YXRCHOXANKPGED-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CCCCC[C@@H](NCC)C12CCCC1CCC2	2012120292	MDUWCZMCJQCEHG-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)C[C@H]1CCC[C@H]1C	2013307936	APJQLNGWSQGMQM-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@@H]1CCC1(C)C	2014846494	OAFSPFLUDJXHDS-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)CC(C(C)C)C(C)C	2015409395	QKDANAOHPOCUIU-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H](CNc1ccc(C(C)C)cc1)C(C)C	2016106754	PZYYUOMIZKKNBE-AWEZNQCLSA-N	233.399	4.904	0	10	BJAE	
CCCCN(CC1(C(C)C)CCC1)[C@@H](C)CC	2017125669	QELCUIPCMYKRSP-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC(C)C(CCC(=O)CC[C@@H]1C[C@@H]1C)C(C)C	2017235796	HJLLSKKMDDDFAK-UONOGXRCSA-N	238.415	4.700	0	10	BJAE	
CCC1CCC(C[C@@]2(O)CCCC2(C)C)CC1	2017646976	AYLLTBQHBOOEIZ-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(O)C(C)(C)C)CC1	2017651842	YZISKJLVPAUOSY-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)C[C@H]1CC[C@H](C)CC1	2017723065	IPKJTCNTJQYZBZ-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCCCC1(C)C	2018138953	MRQDKHIGMHZBBI-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H](C)C1CCCCC1	2019412888	DEQHIYNAYJVKHA-GJZGRUSLSA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@@H](CC1CCCCC1)NCCC	2020969758	RNCSPHXOTKOBQR-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@H]1C[C@@H]1C(C)(C)C	2022455389	VZNYEYZCQQIYKH-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1Cn1ccc2c(Cl)cccc21	2022546574	IJTWSYZZYPEEQB-YPMHNXCESA-N	247.769	4.587	0	10	BJAE	
Cc1cccc(COc2ccc(Cl)cc2)c1C	2024072918	KZUXOYJKWLCUSO-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1C[C@@H]1CCCC(C)(C)C1	2024091254	GVBOMCDVHCZPKF-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)C[C@H]1CC(CC)CC	2024117104	KIUGLUMVDNUQIE-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Clc1cccc2cc([C@]34CCCC[C@@H]3C4)[nH]c12	2024287743	VHPUQQRUPWSPHD-ABAIWWIYSA-N	245.753	4.653	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](C=C(C)C)NCCC	2026074866	PXHJLFRKRRSOSA-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC1CC(CC)C1	2026168126	XTFZPGCHIDQCSC-LMPOIIKSSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CC1CC(C)C1)c1ccc(C(C)C)cc1	2027601695	UNZQFLLTZFPUSO-MQBCKMQZSA-N	245.410	4.507	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](N)c1coc2ccccc12	2028256576	AUYUQVSODVPBRM-LRDDRELGSA-N	245.366	4.505	0	10	BJAE	
Cc1cc(O)c(C)c(-c2ccccc2C2CC2)c1	2028577050	RWAHGRKFYPCREL-UHFFFAOYSA-N	238.330	4.553	0	10	BJAE	
CC[C@H](N[C@@H]1CC(C)(C)CC2(CC2)C1)C1CCC1	2030281492	NRASINVFSYMPIM-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
O[C@@H](CCC1CC1)c1ccc(C2CCCC2)cc1	2031751827	IJBSKUBEYXSYOA-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CC(C)C(C)(C)[C@H](N)c1ccccc1C1CCC1	2032343934	LMHSPSSCDSYDGD-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
CCC[C@](O)(C[C@H]1CCC[C@@H]1C)c1ccccc1	2032558494	RFQRADGRWIAZMT-UXLLHSPISA-N	246.394	4.501	0	10	BJAE	
CCc1cccc(N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)c1	2035408053	IXPCBMIWJVYONX-XYPHTWIQSA-N	245.410	4.732	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@H]1CCCCC1(C)C	2035603251	YWNHCRFVYMDHFX-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC1(N)C[C@@H]2CCCCC[C@H]2C1	2035853047	PRJXNTCBXRJWBH-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
NC1(c2cccc(F)c2)CCCCCCCCC1	2035885923	JHULXSYEUWAPKU-UHFFFAOYSA-N	249.373	4.504	0	10	BJAE	
CC1(C)CC(C(=O)C2CC3(CC3)C2)CC(C)(C)C1	2036324269	SMWALEVSQHISLS-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC(CN[C@H]2CCCCC23CCC3)C1	2036486532	FMQBXGIXQFADMR-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@@H](C)c1ccccc1)NC	2040717658	VGROHUKVOCAYME-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H](C)C1)[C@H]1CC=CCC1	2042024773	OYVMYHKNCBQEGF-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1CCC=CCCC1)[C@@H](C)C1CC1	2045329239	MKPOBWBTBHGYBR-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](CC2(N)CC3(CCCCCC3)C2)C1	2046233602	QARGSHBBHCHBOW-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2CC23CCCCC3)CC1	2047005757	VXTMHHPFKYSXLO-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)C)c1cccc(C)c1	2050429383	YLIWPKQOEYANOH-RDJZCZTQSA-N	247.426	4.718	0	10	BJAE	
CN([C@H]1CCCCC12CCC2)[C@@H]1CCC(C)(C)C1	2053434631	VAFIBDGKKSJRAL-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H]2C=CCCC2(C)C)C1	2055536109	MIYQVUKVXLDAMA-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@@H](C)[C@@H](C)[C@@H]1Nc1ccc(CF)cc1	2055675718	YAUVAYMKZDHTCA-OQMKEHIESA-N	249.373	4.639	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](Nc2ccc(CF)cc2)C1	2055679062	YINJSOXTKLWLRS-HOCLYGCPSA-N	249.373	4.783	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)C2(C)CCC(C)CC2)c1	2056562579	NIQUPUNALJWMSW-PTXATLKXSA-N	245.410	4.520	0	10	BJAE	
CC=C(C)[C@H](NCC)c1ccccc1C1CCC1	2056777826	UFOBELWZDTYTGL-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCCC1CC([C@H](NCC)C2=CC[C@H](C)CC2)C1	2060926225	PQSRONWGCUJXSR-VFNXUKNFSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CC[C@@H](C(C)(C)C)CC1)C1(C)CCC1	2061081185	MVNVGMHWOWPMKT-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H](N)C2CCCCC2)CC1	2061094025	CFUZGGAEBBLZSU-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)C1=CC[C@@H](C(C)C)CC1	2061110980	NSMHBCBIIOULSG-HYVNUMGLSA-N	249.442	4.523	0	10	BJAE	
CCCC1CCC(N)(C2=CCC(C)(C)CC2)CC1	2061111965	AUUUMALYYQPZJP-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C[C@]12CCC[C@@H]1C2	2061616825	LYDKWDPTMQIIMV-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)NCC1CC(=C2CCC2)C1	2061646098	BMFJPPDODHVHMW-KGLIPLIRSA-N	249.442	4.537	0	10	BJAE	
CC1(c2ccccc2CC2CC(=C3CC3)C2)CC1	2061725863	JOUZYJYSJALMDT-UHFFFAOYSA-N	238.374	4.781	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CCCCCC12CC2	2062022199	BNDVXJWXXMJVLW-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1C[C@@H]1CCCOc1cccc2ccccc12	2062620900	QTYXTZBPLABJHH-ZFWWWQNUSA-N	240.346	4.655	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063411017	YBTXTYKQPIXHAL-JONQDZQNSA-N	246.394	4.518	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H](C)CC1)c1occc1C	2063677242	GLZULFWAUKAYNT-SNPRPXQTSA-N	249.398	4.598	0	10	BJAE	
CN[C@H](CCC1CCC1)CC12CCC(CC1)CC2	2065299242	ASWKCBMIMVWGHT-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC1CCCCCC1)CC1C[C@@H]2CC[C@H]2C1	2068771909	SZKQUOJKKQYNNI-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C(=O)C[C@@H](C)C(C)C)c1ccccc1	2068983817	IFCMVENBKNRXDW-PBHICJAKSA-N	246.394	4.678	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)C[C@@H]3CCC[C@@H]3C2)CCC1	2071943721	PQKZCTPTXUODOC-XOIINTDNSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCCC3(CC3)C2)CC1	2072807471	WPOKSNZWBHWVSF-VMBOVVBDSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@]12CCCC[C@@H]1C2	2074029654	OSYMOUDQFIFVRU-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
C[C@H](c1ccccc1)N(C)C[C@H]1CC[C@H](C)CC1	2074784416	IIGZDQNSZDAEQM-BZUAXINKSA-N	245.410	4.506	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)[C@H]1CCCCC[C@H]1C	2074791335	RDBPXKVZSSDZRX-VYDXJSESSA-N	245.410	4.648	0	10	BJAE	
CCC1(C)CCC(N(C)C[C@H]2CC=CCC2)CC1	2075169166	ZCYFJIPLSAYTKE-GTPINHCMSA-N	249.442	4.633	0	10	BJAE	
CNC[C@]1([C@@H]2C=CCCCC2)CCCC(C)(C)C1	2075373865	SIJBNEPLJNQLJW-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@H](C[C@@H]1CCCNC12CCC2)C1CCCCC1	2076646005	ULNWXQGWIZVIPI-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@H]2C[C@@H]2C2CCC2)CC1	2079330405	YHCMRZOWIKKKFN-QJKCGZJTSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@](CC=C2CCC2)(CNC(C)C)C1	2081677456	MEKUTNZTDZIQNG-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](CC2(N)CC3(C2)CC3(C)C)C1	2082978573	ICCFYSIFBMOAIG-NVPAJSRCSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1sc(C)c(C)c1C	2211701271	LWDQNJRTQCJPNP-LBPRGKRZSA-N	240.412	4.533	0	10	BJAE	
CC1(C)C[C@]1(C)[C@@H](N)CCCCCCC1CC1	2213575801	JITNRYQIHLXHBS-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1N[C@H](C)CC[C@H]1CCCCCCC1CC1	2213576301	OMJRXYVVOQKVBC-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)CCC(=O)CC1(C)CC2(CCC2)C1	2215438601	WXKAKZDNHKYKFE-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCCCC(F)F)CC1	2216522333	OVYRLEQQPYYBCD-HAQNSBGRSA-N	246.341	4.597	0	10	BJAE	
C[C@@H](CCCCCCCC1CC1)[C@@]1(C)CCN1	2216880464	VPXRDXIWJMDVSI-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1[C@](C)(O)CCCCCCCC1CC1	2216893417	KZRGEJKRYRXDDM-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C[C@]1(CN[C@H](C)CC)C=CCC1	2217130564	PCZRTUQIVXIBLH-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
O=C(CCCC1CCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218303822	KMEZPINFSVOQHH-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)CCCC12CCC2	2218719490	ZIAXPHYSKKAHBS-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
C(CCCC1CC1)CCNC1CC(=C2CCC2)C1	2218729618	CIPNVRPBHKCYTC-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@]1(N)CCCC2(CCCCC2)C1	2220853698	SGTLPHPBGKKKCP-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCCCCCCC1CC1)[C@H]1CC12CC2	2223132282	ICIPOZISMFMFGT-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H](C)C(C)C)s1	2242604353	BLYSMDFOBWKXLW-LLVKDONJSA-N	238.396	4.566	0	10	BJAE	
CCCCCCC(=O)CCCC[C@@H]1C[C@@H]1C	2243067125	QLXLGSCDFJCQFH-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CC[C@H](CC[C@@H](C)CCCC(C)C)[C@@H](C)N	2244845923	WCGCMHITLJFSEC-RRFJBIMHSA-N	227.436	4.602	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC[C@@H](N)[C@H](C)CC(C)(C)C	2247122532	ULRFEQSQTJGWET-LJISPDSOSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC[C@@H](O)[C@H](C)CC(C)(C)C	2247166527	PPYLQPTVDYCMLY-LJISPDSOSA-N	240.431	4.636	0	10	BJAE	
Cc1cccc(OCCCC[C@@H]2C[C@@H]2C)c1C	2247169068	BOVVOHQEZFPMKB-DZGCQCFKSA-N	232.367	4.509	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)C1(C)CCCCC1	2247170147	GMLPXRUMJODUDY-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@@H]1CCC1(C)C)NC	2247306816	KTGAPYNICJNDQD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NC(C(C)(C)C)C(C)(C)C	2247749986	CIHFQRSBIQAJOE-STQMWFEESA-N	239.447	4.616	0	10	BJAE	
CN[C@@H](c1cc(C)c2sccc2c1)C(C)(C)C	2248564395	LJAANRPHFLZWJI-AWEZNQCLSA-N	247.407	4.516	0	10	BJAE	
CN[C@H](CCCCC[C@H]1C[C@@H]1C)CC(C)(C)C	2248818956	GVPMDIAFRTYMKI-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@H]2CCCC[C@H]2C)cc(C)c1C	2249488182	LOHAIHBJDXBSPK-BZNIZROVSA-N	231.383	4.602	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@H](CC)CCC	2250359683	FGWJJYCTOHDOSV-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)[C@]1(C)C[C@@H]1C	2250527585	JFCHGJUNAAARGQ-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
FCCCCNc1cccc(C2CCCC2)c1	2251242417	GLCLUBZAOQDLAO-UHFFFAOYSA-N	235.346	4.506	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CC(C)(C)CCC1(C)C	2251670797	WYOFMNFXAUSUGP-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CC(C)(C)CCC1(C)C	2251681084	IMWYCTVGAYYCJQ-MELADBBJSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CCCCC12CC2)C1CC1	2253801024	BCTASADGRQVUNC-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
O=C(CC[C@H]1CCCCC12CC2)[C@@H]1C=CCCC1	2253856458	QTFBLKWZHYXPAQ-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CC(C)(NCC[C@@H]1CCCCC12CC2)C1CCC1	2253882676	YYVPCKKGZREQCA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(C1CCCCC1)C1CC2(CC(C)C2)C1	2254462123	RJVVQCDRTWGADT-MYGHFWBESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@@H]1CCCCC12CC2	2254613278	ZQOZWOVZIVJCNW-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(CC[C@H]2CCCC23CC3)C1	2255330891	OQROBTAKOCDIES-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC1([C@@H](N)CC[C@H]2CCCC23CC3)CC1	2255331854	OFCAFFLANBRSOD-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC(=CCCCC[C@@H]1C[C@@H]1C)[C@H]1CC[C@H](N)CC1	2257238509	BIZWORWXMHWRIX-NXOAAHMSSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](CNC2CCC=CCC2)CC1	2257920038	UMWHUDOEFOBQGS-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(N[C@H]2C[C@H]3CC[C@H](C3)C2)cc(C)c1C	2258233217	KZRCKUKRSROUMK-SCAQPMJSSA-N	243.394	4.602	0	10	BJAE	
CC[C@@H](Nc1cc(C)c(C)c(C)c1)[C@H]1CC1(C)C	2258234754	DMAUBSOARUCAQI-HZPDHXFCSA-N	245.410	4.848	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)c1coc2ccccc12	2259442755	JGAHOWIPRVRFMC-LRDDRELGSA-N	245.366	4.520	0	10	BJAE	
CCC[C@H](CC)[C@@H](NCC)c1c(C)cccc1C	2259451935	FQSBCEHMAFPQBB-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
C(CCNC[C@@]12CCCC[C@@H]1CC2)CCC1CC1	2260544923	SUGYNADMFZBQMZ-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1CCC(=CC2CC(CC(C)(C)C)C2)CN1	2261301871	RLSUQPHSDHLZMN-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H]1CCCCCCCC1=O	2298936376	PNYBHNSVOPFNRA-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CC12CCC(CC1)C2	2300470890	DTHOBYKOUUDYQZ-HWOWSKLDSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@H](Nc2cc(C3CC3)ccc2Cl)C1	2300671229	FWYOPCHBFTUTHR-GWCFXTLKSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCC[C@H](CC)CC1	2300689922	CRJFOVZRWPWAEN-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C[C@H]1C[C@H]1CC	2300699941	IUISNBWCRBCCLR-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H]1CCCC[C@@H]1CC	2300876613	IDYVBTGDZVKRNM-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC=C(C)CCCC(C)C)C(=O)O	2300893031	MAQNSTLHMVTHPI-AWEZNQCLSA-N	240.387	4.650	0	10	BJAE	
CC(=CC[C@H](O)C[C@@H]1C[C@H]1C)CCCC(C)C	2300932586	URVRATQZPLSUQT-PMPSAXMXSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H]1CCC(C)(C)CCC1=O	2301836077	KDFJKCKTSMNILI-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)[C@@H](C)[C@@H](C)C(C)C	2301979307	UZTJTHLESZBKON-OFQRWUPVSA-N	239.447	4.568	0	10	BJAE	
CC(C)CCCc1cccc2c1CC(C)(C)C2	2302224957	NVFDBYCVKBXUCN-UHFFFAOYSA-N	230.395	4.790	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@H]1CC[C@@H]1C(C)(C)C	2303506657	USIXMGBDQVSITI-HZSPNIEDSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@](CNC(C)C)(CC(C)C)CC1	2303578209	BIQRCKXKGQRQIN-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC[C@H]1CCC(C)=C(C)C1)NCC	2303583008	IZWXIKPCQYXGRA-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1c1cc(Cl)c2ccccc2n1	2304028669	BRDDHSXCLCURBK-NWDGAFQWSA-N	245.753	4.648	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC[C@@H]1CCC(C)(C)C1	2304419650	CWFGTOMADDQSBC-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)C[C@@H](O)c1cc(C)ccc1C(C)C	2307503215	LMFGABRUBZJNDN-BLLLJJGKSA-N	234.383	4.588	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@H]1CC(C)(C)C1(C)C	2307760615	JMRIGBZVSDVQNA-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CC[C@@H]([C@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2308421181	GDRJYTPPFKFXDK-ABFRBSLYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CC(=O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2312588851	GPGLPQVBDMTDBC-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312908226	WAMHSZDAILXUFM-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
N[C@H]1C[C@@H]2CC[C@H]1C[C@H]2CCCCCCC1CC1	2313003861	KGXMSUHBTWROIZ-QZWWFDLISA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2313628270	FKJOCPPHFGCHAS-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CC(=CC[C@@H](N)C1(C2CC2)CC1)CCCC(C)C	2316553234	XOAJRTKGHJOBOK-MRXNPFEDSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@H]1CCC1(C)C	2317922693	LXIKJNLIHQDKOH-LBPRGKRZSA-N	249.373	4.797	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@@H](N)[C@@H]1CCCC1=CCCCC1	2318537658	FXNMAIDHVHJRAX-YALNPMBYSA-N	249.442	4.667	0	10	BJAE	
CN(CCCC1=CCCCC1)CC[C@@H]1CC1(C)C	2318568509	KTOLJEUZLSVKIJ-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CN[C@@H]1CC[C@@H](C)C[C@H]1CCCC1=CCCCC1	2318573854	WZLLIWINSSJNPR-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)CCC[C@@H]1C[C@H]1C)C2	2318931182	PVDUNTCRVBWCTG-ZOWMAVEFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)[C@@H]2CC23CCCCC3)C1	2319121061	JMJYDVSGUQOJQX-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@](C)(N)[C@H]2CCC2(C)C)CC1	2320328167	OWCQXZVOIDOLAU-YQQAZPJKSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@@H]3CC[C@@H]32)c1F	2327808464	WOIYMSIHJWVHNG-FPMFFAJLSA-N	247.357	4.550	0	10	BJAE	
CC[C@H](Nc1ccc(F)cc1C)c1cccs1	21007831	VLRVTMGHBIXIRY-LBPRGKRZSA-N	249.354	4.759	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@H]1CCCC[C@@H]1C	21501370	SLBIYSCSTCQDOH-GWCFXTLKSA-N	237.774	4.639	0	10	BJAE	
Clc1ccc2sc3ccccc3c2c1	32164982	ZNJQWPJMTIZOHA-UHFFFAOYSA-N	218.708	4.708	0	10	BJAE	
CCC[C@H](C)Nc1ccc([C@H](C)CC)cc1	36953535	XODDYRASZGHVLE-OLZOCXBDSA-N	219.372	4.801	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)CCCC(C)C	68985845	CWZDPGGXXJBFRF-CABCVRRESA-N	227.436	4.760	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc(C)c(OC)c1C	69375741	SFXSSCZCVYVZFZ-CQSZACIVSA-N	249.398	4.693	0	10	BJAE	
CCCN[C@H](c1ccc(C)c(C)c1)[C@H](C)C(C)C	70123462	NBTPMZPCLVQBNX-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cccc(C)c2C)C1	71106003	OHXXNEKMEMICNW-CABCVRRESA-N	231.383	4.684	0	10	BJAE	
Clc1cccc2[nH]c(C3CCCCCC3)nc12	84437010	HOPRIVSAXOOSDF-UHFFFAOYSA-N	248.757	4.654	0	10	BJAE	
CCCCCC[C@]1(O)CCCC[C@H]1C(C)(C)C	87164196	UGDAGZHNUHOUGA-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](C)[C@@H](O)c1ccc(C(C)(C)CC)cc1	90484928	NUJCEDQZZHKKKJ-XJKSGUPXSA-N	248.410	4.844	0	10	BJAE	
CCCN[C@@H]1c2cc(C(C)C)ccc2[C@H](C)[C@@H]1C	94065372	YUELGPPLGSVAET-IGCXYCKISA-N	245.410	4.604	0	10	BJAE	
CC[C@@H]1CCCCN1C1=CC[C@H](C(C)(C)C)CC1	103540505	KUHGQWHOJHKCKZ-LSDHHAIUSA-N	249.442	4.981	0	10	BJAE	
C1CCC(CCNC2CCC3(CCCC3)CC2)C1	129322372	CZYSCDVOKAINER-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@@H]2CCC[C@H](C)CC2)c1	160143565	SAOPVHSNMUCCQI-YSVLISHTSA-N	245.410	4.614	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CC1CCCCCC1	165306676	AUFFCJZJWWCRSP-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(C)cc1	196298449	YNVKNHOEWNJFHY-AWEZNQCLSA-N	219.372	4.766	0	10	BJAE	
CCCc1ccc([C@@H](C)[C@@H](CCC)NCC)cc1	212568213	QUFJKVMLMMUVFM-RHSMWYFYSA-N	247.426	4.521	0	10	BJAE	
CCN[C@H](CC)[C@H]1CCC[C@@H](C(C)(C)C)CC1	220796474	HQKDRMAIXWUQGO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc2[nH]c([C@@H]3CCCCC3(C)C)nc2c1	226620380	MLWFJPSQKUXDRH-LBPRGKRZSA-N	242.366	4.555	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@@H]1CCC[C@@H](CC)C1	228769041	LCJGGHHLWQAMON-BMFZPTHFSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](NCCC2=CCCCC2)C1	230986454	KBDCOEXLUYLQGY-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)[C@@H]1CCCCC[C@@H]1CNC(C)C	233341738	GHRHRTMGBJQRIO-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
Cc1csc([C@H](O)CCC(C)(C)C)c1Cl	235796414	DASUEBZGPUBTMF-SECBINFHSA-N	246.803	4.570	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H](C)CC2CC2)CC1	251381797	RRZKMOLRQUNDGC-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@H]2CCC[C@H](C)C2)C1	252593985	GFVFMRVODNCARC-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	253026154	DDHJVNUUVQIKHT-XNISGKROSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC[C@H]2[C@H]3CCCC[C@H]3CC[C@@H]2C1	256507384	LZIXWAYLHWNUDT-QKGCVVFFSA-N	206.373	4.639	0	10	BJAE	
CC(C)C[C@H](C)CNc1cccc(Cl)c1F	300998588	WSMZAKJCYRWQCR-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1ccccc1C1CCC1	302346455	MOUJOUROZTVXQY-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@H](C)CC(C)C	304175019	MYEVRJLDRCFQSJ-GFCCVEGCSA-N	232.367	4.558	0	10	BJAE	
CCC[C@H](Nc1ccc(C)c(Cl)c1)C1CC1	304387132	XTRVIUGVBSIMMG-AWEZNQCLSA-N	237.774	4.639	0	10	BJAE	
CCc1cccc(C)c1NC[C@H](C)CC(C)C	305916476	GWJBLGPUIYFXFZ-CYBMUJFWSA-N	233.399	4.652	0	10	BJAE	
Fc1c(C(F)F)ccc2scc(Cl)c12	307505451	ZUPGYUQTOZCVEZ-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCCCC[C@@](C)(O)CC1CCC(C)(C)CC1	310153316	PQMRRUKFHDBNOY-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1cc(CC)ccc1CC	310629245	ZUXNAKXPCFMAPN-GUYCJALGSA-N	247.426	4.638	0	10	BJAE	
C1CCC(C2(CNC3CC3)CCCCCC2)CC1	317741784	JUUOHOBUANHSHS-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC1CCC(CNC(C)C)(CC(C)C)CC1	318127258	WQEPUYLPKPOLCA-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](C1CCC1)C1CC1	324986346	UWXVWEQVYGQWNL-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1cc(C)cs1	379049147	KQBNSGYNGMITDW-QWHCGFSZSA-N	239.428	4.663	0	10	BJAE	
CC(C)(C)CCC[C@H](O)CC1CCCCCC1	379609365	NTEPVUKDTSCNIB-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)CC1(C)CCCC1	379884100	CLRHHSBIBDZCEI-NTEUORMPSA-N	237.431	4.681	0	10	BJAE	
CCc1ccccc1N[C@H](CCC(C)C)C1CC1	381070072	BMZKGRNVXMLOHE-QGZVFWFLSA-N	245.410	4.876	0	10	BJAE	
CCCC1([C@H](CCCC(C)(C)C)NCC)CC1	383451011	JTCUPWMAIGQQCO-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](O)CC1(C)CCCC1	384089666	YRUAPPHJSZMOFQ-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@@H]1CCCC(C)(C)CC1	384492917	MFLPNONHECWOLZ-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)CC/C=C1/CCC[C@@H]1[C@@H]1CCCCN1	386283476	OJIOLTNQXWTMCY-RPZAIAHZSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H]1C[C@H]1CC(C)C	387784383	DYZCABSRGDPRIM-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
CC1(CN[C@H]2CC23CCCCC3)CCCCCC1	394578321	WJGMYWKEFNPIAM-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC/C(=C/[C@@H]1CCCC[C@@H]1C)CNC(C)(C)C	394773123	BAKIYZMSEDXGAN-LANAQNJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)C(CC)(CC)CC	395111117	BTKZRMWZEVPNDF-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CCc1cc2sccc2c(C(F)F)c1CC	396229685	UZIRHXCZJWOUOT-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCOc1c(C)ccc2sc(C(F)F)cc12	396232442	CHWMPYYXFQWXMM-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@@H](C)C1CCC1	398737570	LAMDEPISIYRCQE-FVQBIDKESA-N	239.447	4.602	0	10	BJAE	
Clc1cccc2ccn(C[C@@H]3CC=CCC3)c12	402135202	FWJLFJNRANUETL-GFCCVEGCSA-N	245.753	4.651	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)c1cccs1	402227137	XDLYCHPFTSNJHM-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CCCC1CCC(N)(C[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	403454754	GVYQJWDIFZCWQO-CUQMJCILSA-N	249.442	4.501	0	10	BJAE	
O=C(C[C@@H]1CC[C@@H]2C[C@H]2C1)C1CCCCCCC1	403652273	RJGYIIIRCALOJO-FVQBIDKESA-N	248.410	4.742	0	10	BJAE	
CCC1([C@@H](O)c2cccc(C3CCC3)c2)CCC1	687581360	ZUUARYFILNWPOB-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CC1(C)CC(C(=O)c2ccccc2)CC(C)(C)C1	688307304	FYFLPBAXRRHVOQ-UHFFFAOYSA-N	244.378	4.722	0	10	BJAE	
CCc1cccc(CC)c1NCCCC1CCC1	688406337	RCVZUAUJGYCNDH-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
Cc1ccc(N[C@@H](C)CC2CCCCC2)cc1	689715344	GZAKGXNKSXSJRJ-AWEZNQCLSA-N	231.383	4.766	0	10	BJAE	
CC1CCC([C@](C)(O)CC2CCCCC2)CC1	689725381	MTBFHQGXQGCIMN-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNc2ccc(C3CC3)cc2)C1	690101601	GCRRQPQXSIQGLM-ZIAGYGMSSA-N	243.394	4.802	0	10	BJAE	
CCC[C@H](C)CC1(CNC(C)(C)C)CC=CC1	690474140	SOKHEJVQBCWQHV-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@]23CCC[C@H]2C3)cc1	693220264	WAVBWOOJEKRDCV-NUTKFTJISA-N	242.362	4.573	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1CCC2(CC1)CC2	695625774	JKSQKIAZWWLKEG-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)(C)C)C(C)(C)CC	701132505	POFDOSXAJGQXMP-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](O)C1(C)CCCCCC1	704859873	ODFPEKYGNWFLQM-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(CC1CCC(C)CC1)C1CCCC1	704915294	SFTCZIREVHXRIV-ZBCRRDGASA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC1=C[C@@H](O)CC(C)(C)C1)CC(C)(C)C	709096483	IZNQLMORIFOXRA-GXTWGEPZSA-N	238.415	4.556	0	10	BJAE	
CNCC1(C[C@H](C)CC(C)(C)C)CCCCC1	709102755	GURQUGYCESPSQR-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CNC(C)(C)CC(C)(C)C)CC(C)(C)C	709142041	IYGCCPVXJYKBDC-CYBMUJFWSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2csc(C)c2)CC1	710758100	JIDTWWXFJCYOHE-QWHCGFSZSA-N	237.412	4.827	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CCCC[C@@H]32)CC1	712396147	KVLQHPWJJHRVKA-ZOFXXKQRSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CC(C)(C)C(C)C	713143563	WSMIFDGOCKVIQR-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC(C)(C)CC	713318789	RAYAHITZERJQES-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
C=C/C=C/CCc1cc(C(C)(C)C)cc(C)c1O	713683417	KGXHLTZMYPREFK-BQYQJAHWSA-N	244.378	4.673	0	10	BJAE	
C=C/C=C/CCC1(CNCC)CCC(CC)CC1	713704273	XXGKMYUEWYMCOX-BQYQJAHWSA-N	249.442	4.705	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)c1cscc1C	713709302	IMMBIVXINDEKHG-LFAOLKIESA-N	249.423	4.620	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714291638	QHIRZZZIICSLLO-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CC(C)=CCC[C@H](N)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714441513	XYZZNXGAWFFCPI-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714469170	YERSGKAMJRPZLY-JJXSEGSLSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1cc(C)ccc1C	718625793	QODAPTLSJKRQPH-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@H]1CCCCCC1(C)C	719251082	HVGMCADBDBMXLO-ZFWWWQNUSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CC1CCCCC1	720361091	XICULKFEPIAMID-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](C)NCC(C)(C)C(C)(C)C	1308784092	CJXICXPKTWQMTC-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCCC1CCC(CN[C@]2(C)CC=CCC2)CC1	1474176848	WIGZEXXPBIOSHM-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](NC[C@H]1CCCC[C@@H]1C)C(C)(C)C	1559844339	HRKBDQJLDXUMHD-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1ccc(CC)s1	1905385671	BYLXLFPZDMQVDD-WCQYABFASA-N	240.412	4.560	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1csc(C)c1C	1905431880	NZYFYWFZRDNKBV-LBPRGKRZSA-N	238.396	4.764	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C[C@@H](CC)CCC	1905435721	UCFZWFBAMGNERE-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C[C@H](CC)CCC	1905442127	CMOIJSYINYUYGX-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC[C@H](CC)CCC)NCC	1905455240	YSPPYJATHYUNJT-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCC(=C[C@H](C)c1ccccc1)CNC(C)(C)C	1911532877	WELKXXLYAJGEBP-AWEZNQCLSA-N	245.410	4.515	0	10	BJAE	
C=CC=CCCC(C)(C)[C@@H]1CC[C@H](C)CC1=O	1911783827	HZZJXTXRFIXMAX-UONOGXRCSA-N	234.383	4.540	0	10	BJAE	
CCC(C)(C)C[C@H](N)C1CC2(CCCCC2)C1	1912625273	MRGCMVJOABHYOA-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC(C)NC[C@@]1(CCCC(C)(C)C)C=CCC1	1916386974	UEDJQKONQDWOMV-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC(C)NC[C@]1(CC2(C)CCCC2)C=CCCC1	1916602109	HZXFTVYODPVETN-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@]1(O)CCCCCC1(C)C	1921497410	RYESIHXNYMJGEL-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C1=C[C@@H](Cc2ccc(C3CC3)cc2)CCCC1	1925880169	SQJPUYNAWBEFIB-CQSZACIVSA-N	226.363	4.853	0	10	BJAE	
CCCC(CCC)N[C@@H](C)c1sccc1C	1938534544	LBUBISTUJWLMQE-LBPRGKRZSA-N	239.428	4.676	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)CC1CCC1	1940874535	FSVDDCPLPBPFKP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCC[C@H]1CC1(C)C	1940875751	JDBOSBDCQSSLQG-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CCC1=CCCCC1	1941245221	GBEXMKOYOIYKIL-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@@H](C(=O)C[C@H](C)C(C)(C)C)C(C)C	1941269348	PEYAXEWQNVMAOC-UONOGXRCSA-N	240.431	4.946	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](O)CCCCCC1CC1	1941579648	QFOULEQVQSIZKE-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)C1(C)CC(C)C1	1941979900	KEONDSXICYODQD-PWUWZPNHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](C)[C@@H](C)CNC(C)(C)C	1942665616	ZHHJQBAJFHTLRK-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
Cc1cscc1N[C@@H]1CC(C)(C)CC2(CC2)C1	1943082364	NSTHJYHRQDDKLR-GFCCVEGCSA-N	249.423	4.827	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cccc2sccc12	1945960079	NOBFOZAMRXUFPA-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@@H](C)C1CCCCC1	1948926137	ZOSOQSZXULNPHB-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H]1CCCC[C@@H]1C	1948993836	JKGASNLECXVAGQ-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)(C)[C@H](N)C1	1949654176	RGBIRIOFBHAUCQ-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)CCC[C@@H](CC1CCCC1)NC	1949872351	ZOZIOFXHVKRAQX-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(Cl)cc1NC1C[C@@H]2CCC[C@H]2C1	1950291347	CABSHUSBAKMUHE-RYUDHWBXSA-N	249.785	4.639	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@H]1CC12CCCCC2	1950610909	FGFYHUDYXQQZCK-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)CC12CCC(CC1)C2	1950897031	POKHJKHWGFUVKV-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@H](NC)[C@@H]1CCCC(C)(C)CC1	1950916568	BISBJCMDGONIOS-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC=CC[C@@H](CC)c1ccc(OCC)cc1	1951309134	VIGZLCKIITWABF-CQSZACIVSA-N	232.367	4.935	0	10	BJAE	
CCc1cccc(OCC2CCC(CC)CC2)c1	1968356881	ARCUAGIQFAWIEN-UHFFFAOYSA-N	246.394	4.844	0	10	BJAE	
CC[C@H](NCC1(C)CCCCC1)c1occc1C	1971295426	IDQBLBZJGLSPBZ-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CC(C)CC(=O)CC[C@@H]1CCC=CCCC1	1978272531	KGVSNELJUUWWCA-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](CC)CC1CC1	1990092971	GGBSPYHAHZJXKV-LSDHHAIUSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)C1(C)CCC1	1990097399	GRWRVRUEFFTDOX-KBPBESRZSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@H](CC)C(C)C)n1	1995461556	MNQSDQLQSFHWQT-DGCLKSJQSA-N	239.428	4.881	0	10	BJAE	
CC(C)(C)CCC[C@](C)(O)C12CCC(CC1)C2	1995983515	PCBXPQRSBZTGNS-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](N[C@H](C)C1(C)CCCCC1)C1CCC1	1995988044	WSYHYBJQMVUDJS-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](CC(=O)CC[C@H](C)C(F)F)C(C)(C)C	1996093317	DHXUJQOGAHOANA-QWRGUYRKSA-N	248.357	4.699	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H](C)C1CCC(C)CC1	1996546208	HRDSNFUVTFHHKI-PIOWNMBXSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Nc1ccccc1SC1CC1	1996551048	ZIQADHSHTBYGIF-YPMHNXCESA-N	247.407	4.542	0	10	BJAE	
CCCSc1ccccc1N[C@@H]1C[C@@H](C)[C@@H]1C	1996576409	ZHARYWZDWKYWRO-MBNYWOFBSA-N	249.423	4.645	0	10	BJAE	
CCCC(C)(C)[C@H](NC)[C@@H]1CCCC[C@@H]1CC	1996612114	WBXBBAXSDXWENG-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)[C@@]1(O)CCCC2(CCCCC2)C1	1996646723	FWGRNQAOKHXYBR-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)CN[C@@]1(C)CCCCC1(C)C	1997428940	KHUKIKHFPVDSEX-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@@H]1CCCC(C)(C)C1	2000022635	BMPBYZMMOAEFCA-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CCC(C)=C(C)C)C1	2000168427	BMPZHVUOFURIBG-SWLSCSKDSA-N	234.383	4.684	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)CC1(C)CCC1	2000517189	AMONHEHIBSRTCJ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCCC(=O)c1ccc(C(F)F)o1	2002067423	DCZWHUCXXCCIDZ-UHFFFAOYSA-N	244.281	4.616	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002197713	IHFHLTXTNVYAJZ-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@](C)(N)[C@@H](C)[C@@H](C)CC)CC1	2002925809	NRPGRGDYGKXWPT-RKVQBDSKSA-N	239.447	4.602	0	10	BJAE	
CCNC[C@@]1(CC=C(C)C)CCCC(C)(C)C1	2002972320	SEYWDRYNGOOVGR-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CC2(C)CCCC2)C1	2003013353	GWEAJWNMMMQRMY-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)CC2(C)CCCC2)C1	2003179443	OKMRBQVPTDFRNX-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC1(C(=O)CCCC(F)F)CCCCCCC1	2004941115	CWZQWUPQAAFCLG-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CC(C)(C)CC[C@]1(CN)CCCCC12CCC2	2005603382	ZFYYLIATYXPPPQ-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC1CCC(C)(C(=O)[C@H]2CCCC[C@H]2C)CC1	2007681876	RNPBTOCBGRPPQO-IQXANGCESA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC)C1(C)CCC(C)CC1	2007691040	LUTFGRYZEQYAPE-PYBGIAKNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)C1(C)CCC2(CC2)CC1	2007691119	LZCGBSUEIOCCCF-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCC[C@H](C)CC2)C1	2009713590	CDIUBSVDRRCIOC-JWMHWRSXSA-N	237.431	4.514	0	10	BJAE	
CCCCC1CC(NC2CC(CCCC)C2)C1	2009790692	ATBUFVMFVZMYPE-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](CC1=CC[C@@H](C(C)(C)C)CC1)NC	2010765922	QSGXUNPMMHFDCM-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCC(=O)CC1C[C@H]2CCC[C@@H]2C1	2011951024	YYMAJWWGKIOSEI-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CN)CC12CCC(CC1)C2	2012833257	ZVCKZWSEHASYRG-PCKAHOCUSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)C1(C)CCCC1	2014340136	POBJONVBHXWILM-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)C1(C)CCCC1	2014371138	YKICMWJSJYDOGO-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C[C@H](C)C(C)C	2015291104	PNJGTVVSFFASMF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@@H]1C[C@@H](C)C(C)C	2015408869	MLSTXOXWYKXERQ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CCC(=O)c2ccccc2)CCC1	2015593064	AOWPSLSWHGDNGE-UHFFFAOYSA-N	230.351	4.620	0	10	BJAE	
CCCC1(C[C@H](C)c2ccc(N)cc2)CCC1	2015641730	IJUOSVUMKXXLIM-ZDUSSCGKSA-N	231.383	4.733	0	10	BJAE	
CCCC[C@H](CCC1(CCC)CCC1)NCC	2015648557	QXBGLXWBQPDVBN-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)CCCC2CC2)CCC1	2017143322	MOYUOGBFCRESPD-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC(=CCCNC(C)C)C[C@H]1CC[C@H](C)CC1	2017733104	HLEWMCJTKDDDMV-KOMQPUFPSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CCC1=CCCCC1	2019341453	ATBVGTHWLMIYEB-AWEZNQCLSA-N	237.431	4.633	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)[C@@H](C)C1CCC(C)CC1	2019383696	DKVWBJZKVDRYOB-RDRUIREHSA-N	239.447	4.568	0	10	BJAE	
CCCN[C@@H]1[C@H](CCC(C)C)CCCC1(C)C	2020363332	ICXZEFOCFFUYCK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C(=O)CC[C@H]1C[C@@H]1C1CCCCC1	2022555741	AANYFGFFZVQYSL-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)c1ccccc1NCC=C1CCC1	2023254984	SPUCXSJGTUXRAH-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H]1CC(C)(C)C1(C)C	2025066795	GPVFKXWGNUGFNE-KBPBESRZSA-N	239.447	4.568	0	10	BJAE	
CC(C)[C@H]1CC[C@@](N)(C[C@H](C)CC(C)(C)C)C1	2025621884	OFPJYMUAZZDPDR-IJEWVQPXSA-N	239.447	4.602	0	10	BJAE	
c1sc([C@@H]2C[C@H]3CC[C@H]2C3)nc1C1CCCC1	2026603770	RZZKUVWLQOLRLT-WCFLWFBJSA-N	247.407	4.704	0	10	BJAE	
N[C@@]1(CCC2CC2)CCCC[C@H]1C1CCCCC1	2026896330	JJMFAEAQPLGRTE-DLBZAZTESA-N	249.442	4.645	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1CCc2ccccc2C1=O	2029839053	WTKLCNOKRWWNDW-DZGCQCFKSA-N	244.378	4.504	0	10	BJAE	
CC(C)Cc1ccc([C@H](O)C(C)(C)C(C)C)cc1	2032274031	WRHYAPVPCLWEHJ-INIZCTEOSA-N	248.410	4.601	0	10	BJAE	
CC1(CCN[C@@H]2CC[C@@H]3CCC[C@@H]32)CCCCC1	2033212839	QBHUMVOOWDAPJE-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NCCC1(C)CCCCC1)c1ccccc1	2033215272	VOGFBTASDQMTCD-OAHLLOKOSA-N	245.410	4.698	0	10	BJAE	
Cc1coc(C)c1C(=O)C[C@@H](C)C1CCCCC1	2035531021	CGAGMIDWJKRKRB-LLVKDONJSA-N	248.366	4.686	0	10	BJAE	
Fc1ccc2[nH]c3c(c2c1)[C@@H]1CCCCC[C@H]1C3	2035858605	ALKTZNGVRDQECL-CMPLNLGQSA-N	243.325	4.527	0	10	BJAE	
C[C@@H]1C[C@@H](CC2CC3(CC3)C2)c2ccccc2N1	2036723893	HEPOMHKKKVPZQT-OCCSQVGLSA-N	241.378	4.555	0	10	BJAE	
CC(C)(CC[C@](C)(N)[C@]12CCCC[C@H]1C2)C1CC1	2037159403	NROOYKRFJDWMCA-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
CC1(CCC[C@](C)(N)[C@H]2CC3CCC2CC3)CC1	2037175863	LOKIYGSGXKTEOR-NDTCATRNSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c([C@H](O)[C@@H]2CCC[C@H](C)CC2)c1	2039358880	GFJNMJNLSQQJBQ-XGWLTEMNSA-N	246.394	4.553	0	10	BJAE	
CCc1ccc(N[C@H](C)C23CCC(CC2)C3)cc1	2039860895	ZRDNEOCMSNKVJW-BZOOQXSSSA-N	243.394	4.630	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)C[C@@H]1CCC=CCCC1	2045315200	RLKOOLPWHUBKQE-OAGGEKHMSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CCC[C@@H](CC[C@@H](O)c2ccccc2)C1	2045365472	QTIZZVZTRAWDSJ-GOEBONIOSA-N	246.394	4.717	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)[C@H]1CCCC(C)(C)C1	2045392571	VXEMLMMBNXKSCZ-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CCC1CCCCC1	2045683347	ZCPYWMRCHAJLNM-YOEHRIQHSA-N	248.410	4.908	0	10	BJAE	
CCCNC[C@@]1(CC2(C)CCC2)CCC12CCC2	2047965338	OLUOZSDHNUGVPS-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCc1cccc(C2(O)CCCCCCCC2)c1	2049699143	YIPZHXOYFNRERL-UHFFFAOYSA-N	246.394	4.571	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC2(CC2)C1)C1(CC)CC1	2049866946	RFHJZYRBHQFYOP-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC1CCC1)C1(C2CCC2)CC1	2051903788	YAHHLFZZFMGOJJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@H]1CCCCC12CC2	2053420922	OAXHAHOEAVJRFP-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](O)(CC1CC(CC)C1)c1ccccc1	2056662498	UVXKVOBJZUYCBR-DQPZFDDXSA-N	246.394	4.501	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C(C1CC1)C1CC1	2059225720	PZSFRHOWRYAQOS-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(N)CCCC[C@H]2C(C)C)CC1	2061112267	DQCBQZLTFMIIKH-PVAVHDDUSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(N)C2CCC(C)CC2)CC1	2061115509	IBHDFPPLBLPFGB-CLKYRPBMSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@H](NC)C2CC(C)(CC)C2)CC1	2061149417	CPHJJGFNPMBZMS-MHABSNSOSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1NCC[C@@]12CCCC1(CCCCC1)C2	2061513348	RCOSWHFVEOCZLU-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
C=C=CCC[C@H](NCC)C1(C)CCCCCCC1	2061561698	UZJGQEDHFQIFSV-INIZCTEOSA-N	249.442	4.836	0	10	BJAE	
Cc1cccc(N[C@H]2CCCCCC23CC3)c1C	2062017469	OVQLGEZMJBGEJR-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
C1CCCC(N[C@@H]2CCCCCC23CC3)CCC1	2062019480	WFYYOCFEYHQDQC-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
C[C@H]1CC[C@]2(CCN2CCCCCC2CC2)CC1	2062765007	ITLSFFCVYOHBAD-WOVMCDHWSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1NC[C@H](C)C12CCC1(CCCCCC1)CC2	2065896900	HXJRXFBBLNOTTI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068769843	OITIGYKUVFUQQK-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)[C@H](c1ccccc1)C(C)C	2068983820	IFCMVENBKNRXDW-YOEHRIQHSA-N	246.394	4.678	0	10	BJAE	
CCCC1CCC([C@H](N)C[C@@H]2CC23CCC3)CC1	2069200890	JUZXFDQGMIQPBN-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1(CC2CCC2)CC1	2069580681	LQJDTGCWIYMVAV-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CC[C@@H]1C1CCC1	2071788471	UOVSBLIGUJOBMJ-WBVHZDCISA-N	243.394	4.801	0	10	BJAE	
CC1(C=C2CCNC3(CCCCC3)C2)CCCC1	2074134271	PJVAHIJWSIHRTK-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCC1(C[C@@H](O)c2ccccc2C(C)(C)C)CC1	2074618245	DERNWBOEBNBKKA-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CCCCC23CCCC3)C1	2074906910	UWSYOMBAXGWFDT-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
CCCN(Cc1ccc(C(C)C)cc1)C(C)(C)C	2074991207	DSVYEQNKBLTFHZ-UHFFFAOYSA-N	247.426	4.821	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1CC2(C1)CC2(C)C	2077197323	QMZPLRSIMOWXJK-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](CCC1=CCCCC1)NCC	2079441166	DVRKBFFBOWQLAJ-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
NC1(C[C@@H]2C[C@H]2C2CCCCCC2)CCCCC1	2079660299	LEMZNLLOEFXYRN-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)[C@H]2CC23CCCC3)C1	2082975515	JMERTAJVGLUDKQ-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1C[C@H]2CCC[C@H](C2)C1	2213285418	QKOGURKUTSFBQZ-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@@H](CCCCCCC2CC2)[C@@H](O)C1	2213580029	JCLKOAXUEVIEBN-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC1CC(C)([C@@H](N)CCCCCCC2CC2)C1	2213582344	GZYYLMGLIOIQDR-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
CC(=O)c1ccc(C)c(-c2scc(C)c2C)c1	2213673343	BLWLBLNWGJUSLH-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CCCCC2CC2)C1	2214551814	IADNUVDUYBKDLY-IUODEOHRSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC[C@@H]1C[C@H]1CC	2215249315	IWDVMOXGPPMQLT-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@](O)(CC)CC1(C)CC2(CCC2)C1	2215465779	KWAMIIPWVFBVMW-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@@]1(C)CC=C(C)CC1	2215807742	BHFFUZQLBSITPD-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C)NC[C@H](C)CCC(C(C)C)C(C)C	2217147468	JTNBBCAIIJGBQG-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218337804	ZIWVBXFGRUWFSP-UMPJEAMMSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)CC1C[C@H]2CCC[C@H](C1)C2	2218357292	QKLFDLQRESUBTR-XJNFMUPTSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCC1	2218357648	HRURWEYYMIVNJX-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(CC1CC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218358143	VBTOUPVRNRRRFM-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCC[C@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218375066	SHBAPPCXHGIGJS-QKPAOTATSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)[C@@]12CC[C@@H]1C2	2218724480	IXLBKRGPQWPISW-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)C/C=C/c1ccccc1	2219081641	JIFBAKWXRPHLQE-QSNQCMLGSA-N	245.410	4.504	0	10	BJAE	
CCCCC[C@@H](C)Oc1ccccc1C(=O)CC	2220721298	ISEQGRLUVLZMGY-CYBMUJFWSA-N	248.366	4.627	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C2(C)CC3(CCC3)C2)C1	2221004792	XQVZYAQNNGWBSA-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCC(C)(C)C2CC2)CC1	2221640282	KVSQYFLIXYDZBX-QGZVFWFLSA-N	248.410	4.908	0	10	BJAE	
CCCCC[C@@](N)(CC)c1c(C)cc(C)cc1C	2222006910	OKVKXFALXPCFMU-KRWDZBQOSA-N	247.426	4.756	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NCCC2CC=CC2)C1	2222263831	GDTJBBOGNXWYJH-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCCCCCC1CC1)C1C[C@@H]2C[C@H]2C1	2223133409	VRDSRAUZUJHSIB-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)[C@]1(CNC2CCC2)CCCC12CCC2	2223541494	IYNNZOQWSZMSNS-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@@H](C)c1ccc(C)cc1	2223964835	ZQPZVOUGMFQUGJ-RDJZCZTQSA-N	247.426	4.513	0	10	BJAE	
CCCc1ccc(CCC2CC=CC2)cc1	2243551078	YCPCSNCGQPOFER-UHFFFAOYSA-N	214.352	4.538	0	10	BJAE	
CC(C)CCC(=O)CCCCC[C@H]1C[C@H]1C	2243902802	OGQNTJYEOQXWPQ-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@]1(C[C@H](CC)CCC)CCCN1	2244774538	HAKXADFHJZIARB-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
Cc1cccc(C)c1OCCCC[C@H]1C[C@@H]1C	2247174963	YLFWRWGZDHZVGY-GJZGRUSLSA-N	232.367	4.509	0	10	BJAE	
CCCC[C@H](CC[C@H]1CCC1(C)C)NCCC	2247430003	BANVRMOADVCADG-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)CN(C)CC1=CCCCC1	2247527674	NAKYFYLLFVPFFY-OAHLLOKOSA-N	237.431	4.635	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2250351299	BQOWPTCPTOREEZ-CQJMVSDSSA-N	240.431	4.636	0	10	BJAE	
CC(=CC[C@H](C)CCCC(C)C)[C@@H](N)C(C)C	2250478467	JIZGWRQGAKYXGB-ZBFHGGJFSA-N	239.447	4.769	0	10	BJAE	
CC1CC(CC[C@@H](O)C[C@@H](C)CC(C)(C)C)C1	2251765843	VRVYOCVZAFXIPR-HXSCFSKGSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)C[C@H]1CCCCC12CC2	2253820840	VOCSMVVXRDSFMC-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H]2CCCCC23CC3)C1=O	2253882800	ZXNOKUPATBKEGT-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(NCC[C@H]2CCCCC23CC3)c1	2253892281	UIVVZSUYROWBIA-OAHLLOKOSA-N	243.394	4.767	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)C=CCCC2(C)C)C1	2253938029	YSAJNIRBXYMVNP-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC1CC2(CCCC2)C1)C1(CC)CC1	2254118545	GJJHIBPPZQWIQR-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NCCCC[C@H]1C[C@@H]1C)c1ccccc1	2254503480	PVIADVXKNWKCIU-XIRDDKMYSA-N	245.410	4.554	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCCC[C@@H]2C[C@@H]2C)c1	2254586039	NWRLYAOPBILMLE-ZMSDIMECSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@]1(C)CC1(C)C	2255056030	YVWGGZRRUDMAFB-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)CC[C@H]1CCCC12CC2	2255311097	PXDLPODNHYJMNP-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)c1cc(C)cc(C)c1	2259452751	IGCHYFIPZUDYQD-RDJZCZTQSA-N	247.426	4.780	0	10	BJAE	
CC1([C@H](N)C[C@@]23CCCC[C@@H]2CC3)CCCCC1	2260608466	NCFWCIFOZZEWEO-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(NC[C@@]23CCC[C@H]2CC3)cc(C)c1C	2260622721	MVXSPPOKAFSEGZ-RDJZCZTQSA-N	243.394	4.604	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)[C@]23CCC[C@H]2C3)C1	2261262998	DYIPWFKFRPCWHB-QKRUXVEJSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1C[C@@H]2CC[C@H]1C2	2298226270	XOVNMPLLMYHNJT-IFUGULHKSA-N	249.785	4.503	0	10	BJAE	
C[C@@H](CC1CCC1)[C@]1(O)CCCC(C)(C)CC1	2298849738	GTAHUJIBKDYQRC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC=C([C@](C)(O)CCCC(C)C)CC1	2300471875	LYUXGVGHYMUTII-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CC(C)=C[C@@H](C)C1	2300681543	PRJKOFMNMLVENL-WQVCFCJDSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@H]1CCCC2(CC2)C1	2300690621	KSHDKJPGATUDDC-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@H]1CCC[C@@H]1CNC(C)C	2300702847	ZNOVEXXOPOPFRC-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](O)[C@H](CC2CCCCCC2)C1	2301240296	YGSVJXVZMGZNFX-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@@H](CC(C)C)CC1CCCCCC1	2301245411	WJALGHJWNQAGPJ-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)[C@H](CCCC1=CCCCC1)NC	2302357096	UVRQPXOXGDONEI-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C[C@@H]1CCC(C)(C)C1	2302712935	KJUHIXCDANJRAJ-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@]2(C)CC=CCC2)C1	2302755382	JTPQLOJLHRNEMK-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)c2ccc(C)s2)CC1	2303525102	MSLYMBVGHHBMTK-ZIAGYGMSSA-N	249.423	4.583	0	10	BJAE	
CCNCCC(C)(C)CC[C@@H]1CCC(C)(C)C1	2304448132	VFUWGSVKNPHNTB-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@H](O)c1cc(C)ccc1C(C)C	2307502985	IVLGWRYBUVCWNL-OAHLLOKOSA-N	234.383	4.588	0	10	BJAE	
C[C@H](CC1CCC1)C1(N)CCC2(CCCC2)CC1	2313666353	GNYLMSCJPPJFMG-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CC(=CC=C1CCNCC[C@H]1C)CCCC(C)C	2316536211	LAKMVUXTWDHBCP-MRXNPFEDSA-N	249.442	4.705	0	10	BJAE	
CC(C)C1(C(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2317001556	ARCUVRJVHHWCOJ-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
C1CCC(CCN[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1	2317009586	XSZXZFNUBASJCF-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC=C[C@@](O)(CCCC2=CCCCC2)C1	2318547475	BXFXPYRFKDZZQI-NVXWUHKLSA-N	248.410	4.764	0	10	BJAE	
CC1(C)CC2(CC(CC[C@H]3CCCC[C@H]3N)C2)C1	2318803830	NVFUSZQEYNBUEU-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(CC[C@H]2CC[C@H]2C2CC2)C1	2319742208	VBGXYMRAGVJIKJ-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@H](C(C)C)C2CCC2)CC1	2320412510	OJZHQBSRYOVVKB-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)[C@@]2(C)C=CCCC2)C1	2321603975	XLVIVJXGLRPLSY-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2CCCC23CC3)C1	2321637982	XHMUOMHIENJDIM-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](CC)CN1C[C@@H](C)[C@H]1c1ccccc1	2328083624	NYQSWKYTJNPYPB-VYDXJSESSA-N	245.410	4.506	0	10	BJAE	
CCCc1ccc([C@@H](N)CC2CCCCC2)cc1	19231609	NAHMNQZUEPFWON-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCc1cccc(N[C@@H](C)c2ccccc2C)c1	19998568	BDYXVMCDHGEYSR-AWEZNQCLSA-N	239.362	4.731	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1ccc(Cl)s1	20482669	MPVMMVHZSZVTMR-SKDRFNHKSA-N	245.819	4.618	0	10	BJAE	
CC[C@H](C)N[C@H]1CCCC[C@@H]1C1CCCCC1	34994239	NODQCFMNQFPRGM-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1ccc2ccccc2c1	36951845	WLZKXZSDCZWGJM-QWHCGFSZSA-N	227.351	4.686	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)c1ccc(CC)cc1	69372608	VTIJQUNMJLGSMX-RHSMWYFYSA-N	247.426	4.868	0	10	BJAE	
C[C@H]1CC[C@H](Nc2ccc(Cl)cc2Cl)C1	70747805	JCGGDCRPBHDRCA-WPRPVWTQSA-N	244.165	4.594	0	10	BJAE	
CCCCC[C@@H]1CCCCC[C@H]1NCCC	71084118	BJMSTGNZQYAYJO-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](CC)CSc1ccc(N)cc1	71107412	GSHIEGFCSGTQJO-GFCCVEGCSA-N	237.412	4.577	0	10	BJAE	
Cc1ccc([C@@H](O)CC(C)(C)C)c2ccccc12	79905816	YCNZMAJXIYSSJJ-INIZCTEOSA-N	242.362	4.618	0	10	BJAE	
CCC[C@H](C)C[C@@]1(O)CCC[C@H](C(C)C)CC1	87187787	YEUFXTROBTZOMB-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](N)C1CCCCCCC1	87690302	XHNHXLSGZTYYON-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](N)C(C)(C)CC)cc1	90482824	UWYQMCCOXCQVPY-OAHLLOKOSA-N	247.426	4.810	0	10	BJAE	
CCC[C@H]1CCC[C@@H](Nc2cccnc2C)CC1	91496027	SYAKOOFEJMBZEN-LSDHHAIUSA-N	246.398	4.551	0	10	BJAE	
CCCN[C@@H](CC)CCc1ccc(C(C)C)cc1	103934761	LYNCGLUDXXLHLG-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)C1CCCC1	103943416	PODUHIRDVYTZRU-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1ccc(C)cc1	111817216	WMEWJAIWAOCCLP-GDBMZVCRSA-N	234.383	4.635	0	10	BJAE	
CC(C)(C)Cc1ccc(Cl)c(Cl)c1	113054428	BBQQOOIZYUPMPD-UHFFFAOYSA-N	217.139	4.582	0	10	BJAE	
CCCC[C@@](CC)(CN)C1CCCCCC1	129701313	XKCJWZMSISJGSG-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CCC1([C@@H](CC2CCCCC2)NC)CCCC1	161049281	FJHPLHVWWRHMMH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@H](NCC)c1ccc(C)c(C)c1	162204310	KSVVMVIMABMDKG-DYVFJYSZSA-N	247.426	4.780	0	10	BJAE	
CCCC(O)(CCC)c1ccccc1C1CCC1	165434398	RCXNNCADMVYQMM-UHFFFAOYSA-N	246.394	4.742	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)CC1CCC1	167132895	FFRFNEYCGWVAOE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1[C@@H]2CCCC(C)(C)[C@@H]2CCC1(C)C	196119700	GXKYYOMGGFWFAS-FRRDWIJNSA-N	208.389	4.885	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1c(C)cc(C)cc1C	212067881	QSTUYGLATBESHK-QGZVFWFLSA-N	248.410	4.862	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](C)c1ccc(CC)cc1	212640957	CXONAJJKGAMSCC-YOEHRIQHSA-N	247.426	4.521	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1C[C@@H](C)CC(C)(C)C1	219283494	HEAMUICFSNSULZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1ccc([C@@H](C)CC)cc1)[C@H](C)CC	227088755	QJMJSCNEIIAORW-VBQJREDUSA-N	247.426	4.897	0	10	BJAE	
CCCN[C@@H](c1coc(C)c1)C1CCCCCC1	229147557	AXKFERIPIUWJPQ-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CC[C@H](C(=O)[C@H]1CCC[C@@H](C)C1)c1ccccc1	229198583	CXWXXHWVBIOQBO-KBMXLJTQSA-N	244.378	4.576	0	10	BJAE	
CCCCC1CCC(C(=O)[C@H](C)CC)CC1	229248511	FYGXMDJYHBOVLZ-IYXRBSQSSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)CC(=O)c1cccc2ccsc12	229330040	WUFUIFAWYLPFKB-JTQLQIEISA-N	232.348	4.520	0	10	BJAE	
CCCCCC[C@@H](C)NCC1(C)CCCCC1	232938120	HJNNCIWYECOMMH-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(C(C)=O)cc1	233057356	FVCCMECFYILXEV-CQSZACIVSA-N	247.382	4.518	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@@H](C)CCC	233123485	CNYOYWVMNCPWTL-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)([C@H](C)CCC)CC1	233284646	CPQUAVVAFAHUNK-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)C1=CCCCCCC1	235802902	VLJDHFHHNUPDCM-KRWDZBQOSA-N	244.378	4.617	0	10	BJAE	
CCC[C@H](C)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1N	251366013	SYCODYXBFUMBSF-LXTVHRRPSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@@H](C)CC[C@H]2[C@H]1CC2(C)C	263589843	SITKOPDZOGHVLY-RFGFWPKPSA-N	208.389	4.885	0	10	BJAE	in-vitro
CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CC(C)=C[C@H](C)C1	300079356	TXMXJPUVZKQCOO-LLLHUVSDSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	300575648	OVXIOAFGCVXFNH-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1C	302271851	HKMUDSVJRLBJJI-XJKCOSOUSA-N	245.410	4.794	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	304148171	NOTSJUCYQAQSDF-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1ccc(Cl)s1	308110936	NXAFBFKSHHFLHF-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC(CC)CC	308119020	ZOQBFEDZMRFJDO-AWEZNQCLSA-N	226.404	4.844	0	10	BJAE	
CCCCCC[C@H](N)C[C@H]1CCC[C@@H](C)C1	309486397	YDXYLKYKBDYZKT-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
C[C@@H](CC(=O)c1ccsc1)C1CCCCC1	310370423	XOIDLAUYCQOFON-NSHDSACASA-N	236.380	4.537	0	10	BJAE	
C/C(=C/CCNCC(C)C)CC1(C)CCCC1	310382316	JILQINWRPOAZFY-NVNXTCNLSA-N	237.431	4.539	0	10	BJAE	
CC(C)N[C@H](C)[C@@H](C)C[C@@H](C)C1CCCCC1	310552377	GUPZYEYDZSIMBZ-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
Cc1cccc2c1ccn2C1C[C@@H](C)C[C@H](C)C1	310593506	QHZFNKPXARYAQW-STQMWFEESA-N	241.378	4.947	0	10	BJAE	
CCCCCC[C@]1(CNCC)CC[C@@H](CC)C1	317267798	NINBFXVQYGRZQT-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CCCCCC[C@]1(CNC(C)C)CC[C@H](C)C1	318141651	YUZOAVIJCKJILT-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](c1ccccc1C)[C@H](C)[C@@H](C)CC	318861479	JPYUESLHDDMNSX-LXZKKBNFSA-N	247.426	4.718	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(CNC(C)C)CCCCC1	319534592	FJLNFBJMMUNPFA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(C1CCC1)C1CCC(CC)CC1	322366333	IEKGHZBCDPUITE-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](Nc1c(C)cc(C)cc1C)C1CCC1	322842934	MGFZMHCDAVDGKX-INIZCTEOSA-N	245.410	4.993	0	10	BJAE	
CCCCC[C@H](C)NCC/C=C\c1ccccc1	323843393	NTKUKTZHWXYPBG-MBSJSRAVSA-N	245.410	4.648	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CCCC23CCCC3)c1	328143305	CIIWFTYSDKQFKI-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
Cc1cc(-c2csc(C3CCC3)n2)c(C)s1	359335312	YSGVLAVKZXMYEX-UHFFFAOYSA-N	249.404	4.756	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@H]1CC[C@@H](C)C1	383302869	UFFSAHJFVVKFHV-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C[C@H](C)c1ccccc1)C(C)(C)CC	385082719	FKGYHOPHRPCBKP-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2CC[C@@H]3C[C@H]32)cc1	385396057	JOKZHXHGICRTPO-DJIMGWMZSA-N	243.394	4.630	0	10	BJAE	
CCN[C@H](c1ccccc1C(C)C)[C@H](C)C(C)C	386396157	WCAPDRBZDUUBIK-PBHICJAKSA-N	247.426	4.753	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C1CCCCC1)c1ccco1	386571097	XMDNZCBHVZTPIC-HIFRSBDPSA-N	249.398	4.537	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC[C@H]1CC)C1CCCC1	387494103	DPBDANNJGVTEHF-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](C)NCC1(CCC)CCC1	391871037	GSSIHSLKJBXQKY-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC1(NC[C@H]2CCC[C@H](C)C2)CCCC1	394422048	DMUBOAQXCRJPFL-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CSc1cccc(NCCC2=CCCCC2)c1	395355073	HDWPIBVTBPQIFN-UHFFFAOYSA-N	247.407	4.711	0	10	BJAE	
CCc1ccc2sc(C(F)(F)F)c(C)c2c1	396299782	HUDVAKYNTGMROF-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1ccc(C(F)(F)F)c2scc(S)c12	396303705	MZWAEZJYARATET-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)[C@@H](C)C(C)(C)C)c1C	399162290	MDUBXYIFVZLOBH-GDBMZVCRSA-N	248.410	4.636	0	10	BJAE	
CC(C)c1ccc(CC(=O)[C@H](C)C(C)(C)C)cc1	399198978	KNCCDHDZWYSJHN-ZDUSSCGKSA-N	246.394	4.604	0	10	BJAE	
CCc1cccc(NC[C@@H]2CCCC[C@@H]2CC)c1	401593850	UDWLOBSMZUGHKA-HOTGVXAUSA-N	245.410	4.877	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CC=CCC2)CCCC[C@H]1C	402266218	SWLMBLATSFMWCH-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CC=CCC1	402379573	XMFIGZQAEPJWJS-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCCCC1CCC(N)(C[C@H]2CC=CCC2)CC1	690509739	CEMHSBRVKOFJAB-CGZBRXJRSA-N	249.442	4.811	0	10	BJAE	
CNc1ccc(Cl)cc1CC1CCCCC1	694960666	INZVIFXSUPTCIP-UHFFFAOYSA-N	237.774	4.505	0	10	BJAE	
CC(C)C[C@H](N)[C@@H]1CCC[C@H](C(C)(C)C)CC1	695091543	KBFQAHJKYCIPAS-ILXRZTDVSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC(N[C@H]2CCCC[C@@H]2C2CC2)CC1	696103816	JFPDZLABMCQAKU-BNICSPFPSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cc(C)ccc1F	696670099	CBFICZPKAXVFRU-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCCN[C@H]([C@@H]1CCCC1(C)C)C(C)(C)CC	701180815	QSQFRFTWJSKEID-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@]1(C)CC1(C)C	702151560	XIFMSCOGGMSGQN-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](O)CCC1=CCCCC1	704554940	BRPMQJNYASZNCV-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@H]1CCC[C@H](C)C1	704907369	HQXQAXYNOPWQGS-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@H](C)CC(C)C	704954161	DNPUHMUYORRAHN-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCC[C@H]1C)CC(C)(C)C	704993296	FDMSQZPWMIRAPJ-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CC1(CNCC[C@H]2CC=CCC2)CCCCCC1	706869193	OGXNMHKMKMKZQC-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H](C)CC(C)(C)C	708246985	DGIZZCJKUDLFOP-DZGCQCFKSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H]1C[C@H](C)CC(C)(C)C1	708768028	QFRIAOYEVKRWSA-BFHYXJOUSA-N	239.447	4.616	0	10	BJAE	
CCNC[C@](C)(C[C@@H](C)CC(C)(C)C)C(C)C	709124232	MGJOZVMBQMTUHE-HOCLYGCPSA-N	241.463	4.721	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)C[C@@H](C)CC(C)(C)C	709129899	NPIWTYHOEMMDNJ-MGPQQGTHSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@@H](C)C(C)(C)C)C1	710754009	OHEQRHDITMLILY-XJKCOSOUSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](C=C(C)C)C[C@@H](CC)C(C)(C)C	711185432	SGAWNZDTZQQHMS-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CC[C@@H](C[C@@H](NC)C(C)(CC)CC)C(C)(C)C	711213667	OQFYFZMGYRDIKB-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@]1(O)CC1CCCCC1	713033997	WPKIHXLRHWYWGF-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)C1CCC(C)(C)CC1	713266103	SNLVUSAKQDWGIE-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)c1csc(C)c1	713681772	UHTKKYPOYLVBGO-IDTUSYRASA-N	249.423	4.620	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@H]1CCCCCC1(C)C	719288878	SMHHTQYQTCBFHR-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC(C)(C)c1ccccc1	721727579	VSOPEXVBSRZMME-OAHLLOKOSA-N	247.426	4.508	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H]1CC1(C)C)NCC	723178279	LQRSQBOHWNYVKX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C[C@H](O)C2CCCCCCC2)C1	723546633	ULWSAPPEGVHHDC-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCN(Cc1cccc(C(C)(C)C)c1)C(C)C	1473591026	LSJIMZCDYXUXEN-UHFFFAOYSA-N	247.426	4.605	0	10	BJAE	
CCC(C)=CCc1cc(Cl)sc1C	1888061547	VMOZCSPIPBULGG-UHFFFAOYSA-N	214.761	4.609	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(Cc1ccccc1)C(C)C	1889169499	IATJCXBRKHRIRL-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1CCCCCC1	1900698136	TUWNPUJXSNUASO-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCc1cccc(C2CCC2)c1	1901881063	JKGMBGHFAKCHIN-UHFFFAOYSA-N	216.368	4.933	0	10	BJAE	
Cc1cscc1NC[C@H]1CC[C@H]1C(C)(C)C	1902740786	ZFJQTNVLELFXSS-VXGBXAGGSA-N	237.412	4.541	0	10	BJAE	
CC(C)Sc1cccc(CC2CC=CC2)c1	1905163208	VSALQMFTDITUBT-UHFFFAOYSA-N	232.392	4.696	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C1CCC(C)(C)CC1	1910794669	PAJXOSHTKHCLJC-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCCCc1cc(Cl)ccc1F	1911785107	ZQQZLDCFVXSIRW-UHFFFAOYSA-N	224.706	4.544	0	10	BJAE	
C[C@@H](N[C@H]1CCC2(CCCCC2)C1)C1CCCC1	1915872692	TYVZQOKGNHBDRN-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCCC1CC([C@H](C[C@H]2C=CCCCC2)NC)C1	1925772628	NPWTZNGAMAWIBO-OTBWCIGPSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)C[C@@H]1C=CCCCC1	1925796229	DYANWWPNXBTZOQ-RBSFLKMASA-N	237.431	4.523	0	10	BJAE	
CCCNC[C@@H]1CCC[C@H]1C[C@H]1C=CCCCC1	1925891171	IOVNSHDELZBHMA-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](CN)[C@H](C[C@@H]2C=CCCCC2)C1	1925892592	OQTQVKRSAVJNCG-BZUAXINKSA-N	249.442	4.524	0	10	BJAE	
CCCCC[C@@H](CC1(C)CCCCC1)NC	1935624197	ZSHOSFIJNCWRQY-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1cscc1CC	1938825025	HGTOGYZKFSYYIN-CQSZACIVSA-N	240.412	4.560	0	10	BJAE	
CC(C)C[C@@H](C)c1csc(NC(C)(C)C)n1	1939035069	DQKJHBQWBLBLJP-SNVBAGLBSA-N	240.416	4.503	0	10	BJAE	
CCC=CCNC1CCC(C(C)(C)CC)CC1	1940178634	ZOOICOCFVDOSQB-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)CCCC1CCC1	1940284383	IBPAEEZGVDYTOF-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C[C@H](C)CC(C)C	1940790034	IRPREFQZAYXDJU-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@H](N)CC[C@H]1CC1(C)C)CC(C)(C)C	1940859495	QEHFZKXQTRCEOT-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CCCC1(C)CC1	1940872787	AKVYRJGHORGBHO-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)C(CC)CC	1940885103	WPNQZSQPRSYOPM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCc1ccc(NCC[Si](C)(C)C)cc1	1941331797	NQIFDEAQXTVMHF-UHFFFAOYSA-N	249.474	4.779	0	10	BJAE	
CCCNCC1([C@@H](C)CCC(C)C)CCCC1	1942661071	VFFNSFGGPJADFL-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H](O)[C@]12CCCC[C@H]1CCC2	1944150449	ZVJURUOSFFQXLC-JYJNAYRXSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@@]12CCCC[C@@H]1CCC2	1944155100	BFBABKDJVYZKAX-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cccc(C2(C)CC2)c1	1944600012	KXRQYUGVMQHEMC-CHWSQXEVSA-N	231.383	4.585	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCCCC1CCCC1	1947454807	BKLIZZGUDAWAKS-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CC1CCC(C)CC1	1947514793	ILPRUWQLQHPQTC-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cccc(C2CC2)c1	1948284884	BAWMKTLQHKUROF-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc([C@@H](C)C(C)(C)C)[nH]c21	1949762835	UAXJSYPLSMYCIM-OUAUKWLOSA-N	234.387	4.560	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@H](C(C)C)C1)c1ccccc1	1963322033	DPIVHGKIVRLKLC-BBWFWOEESA-N	245.410	4.552	0	10	BJAE	
CCC1(CN[C@@H]2CC[C@H]3CCCC[C@@H]32)CCCC1	1965922184	AVQUPZSBIFPLDA-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCCC3(CC3)C2)c(C)c1	1968254730	LRKWWHHXZDBPRW-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
CCC1CCC(COc2cccc(C)c2)CC1	1968270540	MCFGNLDCEQSWCV-UHFFFAOYSA-N	232.367	4.590	0	10	BJAE	
Clc1ccc(-c2nc(C3CCC3)cs2)cc1	1968396020	FBMNLEYVXZECEF-UHFFFAOYSA-N	249.766	4.731	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(SC)cc1	1968457188	WFUWFASMPVYTLB-NSHDSACASA-N	237.412	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1N[C@@H]1CCCC2(CCC2)C1	1968831869	YMZBAMAESBNXFH-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@H]1N[C@H]1CCCC2(CCC2)C1	1970487370	LIQSHHNYHDUTKF-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
Cc1csc(C)c1CC1CC(=C2CCC2)C1	1985534622	LPNDNOYFVWAWEK-UHFFFAOYSA-N	232.392	4.798	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@H](C)[C@H](C)CC	1990887537	IIWILNFJDLAFDU-ZIAGYGMSSA-N	227.436	4.568	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@H](C)CC)NC	1995258256	CDKJIXCAFRMSII-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CC(C)CC[C@@H](C)n1ccnc1C1CCCC1	1995885343	MSAZXCVOTMKAQO-CYBMUJFWSA-N	234.387	4.538	0	10	BJAE	
CCCC=CCNc1ccccc1SCCC	1996564030	LZLLMPADJFLIBT-UHFFFAOYSA-N	249.423	4.957	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C2CC(C)(C)C2)CC1	1997107094	ZXPNEBIMBOOZBJ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC([C@@](C)(N)CCCCCC2CC2)C1	1998648493	ISVPHTRTODEGAX-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@](C)(CC)C[C@@H]1CCC=CCCC1	1999989826	DWQHKZBOFDZXNE-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H](CC[C@@H]1CCC=CCCC1)CC(C)C	1999996479	PCZJAFMBLGZTEQ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC1(C[C@@H](O)[C@H]2CCCC(C)(C)C2)CCC1	2002972389	SWBHWWNWVGBPKI-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)CNCCCC[C@@H]1CCCC(C)(C)C1	2002995066	ZJOLEJOXHSJAKT-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CC1(C)CCCC1	2004228934	QSDANPDRFCSLGX-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC1(C)CCC(N(C)C2CCCCC2)CC1	2004366188	FOKKZYXLGLMMKG-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CCCC(CCC)CNc1ccc(C)cc1F	2004707148	ULDBBQPZRRAPSK-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CC(C)(C)CC[C@H](O)[C@@H]1CCCCC12CCC2	2005602537	YACFZXXZJZHQRE-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCC(C)C)C1(C)CCC(C)CC1	2007695948	KUYSNUSYIIHBAH-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C1(C)CCC(C)CC1	2007695980	LCAOLHQBISMSIR-JWMHWRSXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)CC1CC(CC)C1	2007753811	JBFPOBKUXXOORB-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)CCC2(C)CC2)CC1	2009540422	LELFJGVCUHQNCC-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CCC1(C)CC1)CNC1CC1	2009543947	LDXZHHDAUJREFZ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1cc([C@H](N)C2=CCC(C)(C)CC2)c(C)s1	2010751396	ZQPDAGFDCDLFEK-CQSZACIVSA-N	249.423	4.501	0	10	BJAE	
CC(C)[C@H]1CC=C(CC(=O)c2cccs2)CC1	2010784502	ZFWHITQCZWPFCS-ZDUSSCGKSA-N	248.391	4.703	0	10	BJAE	
CCN[C@H](CCCC(C)C)CCC[C@H]1C[C@H]1C	2011580351	CCXKXNDUZPZAMV-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC1CC(N)(CC2(C)CCCC2)C1	2014658465	ZIUVHKBZWHNQRJ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(CC[C@H](N)CCCC1CC1)C(C)C	2015357877	NXKOPVVCYUEFPC-OAHLLOKOSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(CCC(=O)[C@H](C)C1CCC1)C(C)C	2015392850	WEKYWDDWYWMWIK-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCCCN1CCC(C(C)C)C(C)C	2015392988	YNCQUXNUOUXMJZ-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@H](C)CC1(N)CC2(CCCCCC2)C1	2015403596	ZMSJXGXKWVWBDD-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CCC(C)(C)C2)CCC1	2015589254	QSRJTQKLKURWGN-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC1(CCC)CCC1	2015634998	UXAZVORBGWVYDE-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](C)CCC=C(C)C)[C@H]1C	2016149980	OPJAMCPLVRBQOH-QXSJWSMHSA-N	237.431	4.536	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)C1CCC(CC)CC1	2017484901	BIXIVCCGCYVHSL-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@](C)(O)CC1CCC(CC)CC1	2017648876	QINUYDKNAVDCDD-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
CCCC1CCC(C[C@@H](O)C[C@@H](C)CC)CC1	2017651534	VMMQJEPONPAZMC-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H]2CCCCCC[C@@H]2O)CC1	2017721015	WLCDNOJUCXYBLJ-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cc(F)c(C)c(F)c1	2017745207	YOWHXNQSXDWHBK-SNVBAGLBSA-N	241.325	4.510	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1CCNC2(CCCCC2)C1	2018645115	IMEBQYFJBYIMSK-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](O)C2CCC(CC)CC2)CC1	2018970515	QHGUJXJTJMCNPE-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@H](N)C2(C)CCC(C)(C)CC2)CC1	2018991342	UGPWGZDGBJHEFV-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](N(C)CCC(C)(C)CC)C1	2019204832	ZYAPLNMWKSNKDD-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@](O)(CCC)C1CCCC1	2022451621	PMTYMDPMRONJLI-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(CC)(CC)CNC(C)C	2022502552	QQCIKEWPYGYOOY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H]1CCC[C@@H](CC)C1	2022560452	OPYPPSMFUGFLJZ-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC=C(C)C)NCC	2023329712	BWMDXPGZCXMZCI-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1CCCC(C)(C)C1	2024128080	JXHRXFPQSOKFBR-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1cc(C)oc1C	2026078436	DHLJEGSINHSRKZ-NSHDSACASA-N	236.355	4.686	0	10	BJAE	
CC(C)c1ccccc1CCC(=O)C1CCCC1	2027501024	ZDMADUJVAGFDEL-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
Cc1ccc([C@H](O)CCC[C@H]2CC2(C)C)cc1C	2027842926	MQVHCSIKPIMUMB-JKSUJKDBSA-N	246.394	4.553	0	10	BJAE	
CCC[C@H](C)[C@H]1Nc2cc(C(C)(C)C)ccc2O1	2027859602	GULBSLGNLPWEOI-NHYWBVRUSA-N	247.382	4.551	0	10	BJAE	
CCCCc1ccc([C@@H](N)[C@@H](CC)C(C)C)cc1	2028252101	LWXUZNGZAMDMIF-DLBZAZTESA-N	247.426	4.711	0	10	BJAE	
C(CCN[C@@H]1CCCC[C@@H]1C1CC1)CCC1CC1	2028630090	YGSAGDQWGGHHGB-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
C1=C(CCNC2CC3(CCCCC3)C2)CCCC1	2028880738	HLAICOAVACXDFA-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccccc1CC(C)C	2028932129	ZTJNTCYRIGDCFW-MRXNPFEDSA-N	248.410	4.745	0	10	BJAE	
CC(C)c1cccc([C@H](N)C2(C)CC(C)(C)C2)c1	2029106990	WOMMAEBXSVYSJM-HNNXBMFYSA-N	245.410	4.636	0	10	BJAE	
CC1(CCCNC[C@@]23CCCC[C@H]2CCC3)CC1	2031788487	JBCCPXGTELUTQG-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC[C@]12CCCC[C@@H]1CCC2	2031808829	NFESXIMAACIIIE-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)C(C)(C)C(C)C)c1C	2032272666	ONDGJMRLUCLDFX-MRXNPFEDSA-N	248.410	4.636	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)CCCCC1	2032585864	DGWQUCDRVKDUPH-BTTYYORXSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](c1ccccc1C(C)C)[C@@H]1CCC1(C)C	2033561973	SXKFMARLGQUSAK-HOTGVXAUSA-N	245.410	4.507	0	10	BJAE	
Cc1coc(C)c1C(=O)CC1C[C@@H](C)C[C@H](C)C1	2035538481	QTNLUUQGOLMAPO-QWRGUYRKSA-N	248.366	4.542	0	10	BJAE	
CC(C)(CNC[C@H]1C=CCCC1)C1CCCCC1	2035589595	HFMMQIVUCIEZEF-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@@H]3CCC[C@@H]32)CCCC1	2035884449	APRQINSYVUTVTM-BHYGNILZSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](c1ccccc1)C1CC(C)(CC)C1	2036487286	PZZVVVJLHIJOEU-AQFXKWCLSA-N	245.410	4.554	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)CCCC31CCC1	2036542239	KUVMSGJKPVYDHA-UHFFFAOYSA-N	239.362	4.543	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)CC1CC2(CCC2)C1	2037972001	HZURHKLMQAIAMW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2C=CCCCC2)CC1	2039378188	XEEBUJBSOIKHEG-QZWWFDLISA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)C1CC(C[C@H](N)[C@]2(C)CC=CCC2)C1	2043004641	MPUOUKKCOMKXRL-UMPYDWHISA-N	249.442	4.523	0	10	BJAE	
C[C@@H](C[C@]1(N)CCC2(CCC2)C1)C1CCCCC1	2043612037	LUVLCACNQYCUOC-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC=CCCC1)[C@H]1C[C@H]1C	2045324802	ZCLBQTAMTLBGFX-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](O)[C@@H]2CCCC(C)(C)C2)cc1C	2045364930	HDXGFVCFCACEGR-CVEARBPZSA-N	246.394	4.553	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccc2[nH]ccc2c1	2045606599	GJTIQHTUDCAITN-UHFFFAOYSA-N	243.350	4.567	0	10	BJAE	
N[C@@H](CC[C@H]1[C@H]2CCCCC[C@H]21)CC1CCCC1	2048488698	ODWNRNWFNVTRTR-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H]2C=CCCCC2)CC1	2049417152	FHLDKAYVGAPVGY-OTBWCIGPSA-N	249.442	4.680	0	10	BJAE	
CCCC1CCC([C@@](C)(O)c2ccccc2)CC1	2049420308	NKTWRNQOZYRYNV-PREGVCBESA-N	246.394	4.501	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H]1CCCC(C)(C)C1	2049500547	FHSTXJXUJKCHRT-CVEARBPZSA-N	249.442	4.703	0	10	BJAE	
Cc1cccc([C@@H](O)CCCC(C)(C)C2CC2)c1	2050425687	ISCDHPSWJQKUDO-INIZCTEOSA-N	246.394	4.635	0	10	BJAE	
Cc1ccc([C@@H](N)CCCCCCC(C)C)cc1	2050430386	LUIVMXRYLMEOHQ-KRWDZBQOSA-N	247.426	4.991	0	10	BJAE	
Cc1cccc([C@@H](O)C2(C)CCCCCCC2)c1	2052479069	IFXLZKVCPHOQCP-MRXNPFEDSA-N	246.394	4.779	0	10	BJAE	
CCCN[C@H](CC1CC1)[C@H]1CCCCC12CCC2	2053411667	PDNRZDKHCRSSQB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NCC1(C)CCC2(CC1)CC2)C1CC1	2056537080	UIBOQJBQHSRUHT-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1C=C1CCCCC1	2056878016	GGGXJCRDFALHPT-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C[C@H](C)C1CC1	2056880152	ZWGZZSXFWBHCBM-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)C2(C3CC3)CCCC2)C1	2057610024	VQNLHJLYSZDQPV-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(NC[C@H](F)C2CCCCC2)c1	2058032502	XYMXSCPTPVQYBI-HNNXBMFYSA-N	249.373	4.634	0	10	BJAE	
CCNC[C@@]1(CCC2(C)CC2)CCCCC12CC2	2059176828	DWOGIWVOSYDZTB-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C12CCC(CC1)C2	2059226221	XGYHMZIXPBHZAP-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)c1ccoc1CC	2059254684	AWPQSYVDEXQLQJ-NFBGWVBBSA-N	249.398	4.629	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@]12CCCC[C@H]1C2	2059256499	PNBJPXODUQRFKG-GGACTWEQSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H]2CCCC[C@@H]2CC)CC1	2061116219	NVVINRJAODQEHI-WTTBNOFXSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)[C@@H](C)C1CCC1	2061143778	MIYZZUJVXJRBTB-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](CC2CC(=C3CCC3)C2)C1	2061702232	QPSCKDJMVVLMHI-STQMWFEESA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC2(CC(C[C@]3(N)CCCC3(C)C)C2)C1	2063204834	UPDOIBHDXALGKW-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063481580	VMOOYEWADWZFQF-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1CCCC1)CC1C[C@H]2CCC[C@@H]2C1	2063496349	IZXUFGASROCJJN-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063500468	IHQPLUQNMGSHPB-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@](C)(O)C1(C)CCCC1	2067506045	UAEHXLAGBJQCDK-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CCC2)C1)C1(C)CCCC1	2067516534	GJUYQWRMBQZDRB-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@@H]2C2CC2)cc1	2071798653	NSVQXNQBWFHUSD-HZPDHXFCSA-N	243.394	4.585	0	10	BJAE	
C1CCCC([C@H]2CCCN2C2CCCCC2)CC1	2071969634	UTJWGLMXSYFGQW-QGZVFWFLSA-N	249.442	4.754	0	10	BJAE	
CCC(C)(C)[C@](C)(N)Cc1ccc(C(C)C)cc1	2072909259	WUTISZXTOHFAQG-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@H]2CC(C)=C[C@@H](C)C2)CC1	2074638387	FCSXLMLRDCQLBJ-KBMXLJTQSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(F)CN[C@@H](C)c1ccc(C(C)C)cc1	2076362118	BOIUPSULYJGDJS-ZDUSSCGKSA-N	249.373	4.724	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@H]2CCC[C@@H]2C)o1	2077980190	ZYFAOHZXIPARND-JSGCOSHPSA-N	248.366	4.631	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CNc1cccc(C2CC2)c1	2079613746	NDLLTHMDTZLFHE-ZBFHGGJFSA-N	243.394	4.658	0	10	BJAE	
Cc1ccc(C)c(NC[C@@H]2C[C@H]2C2CCCC2)c1	2079640100	LDZWESWSMAZYHS-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2C[C@@H]2C(C)(C)C)cc1	2079814765	OTTXYBSCKJCIED-ZBFHGGJFSA-N	246.394	4.871	0	10	BJAE	
CCNCC1(CC=C2CCC2)CCCCCCC1	2081676036	DWVUEETYINEZSN-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCC2)CCCCC1(C)C	2081681851	HQRRNOLEFWXPGA-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC(=CCCNC1CC1)C[C@H]1CCCC(C)(C)C1	2082977494	ZOZAQLYTLVWJET-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(=C[C@H]1CCCC(C)(C)C1)c1ccc(N)cc1	2082980177	SUTVVXBZTPXYMP-CQSZACIVSA-N	243.394	4.889	0	10	BJAE	
CC1(C)CC(C=C2CCC(N)CC2)CC(C)(C)C1	2082984579	BYPPHAHVRXQVQN-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CCC(C)(CC)C(=O)C1C[C@H]2CCC[C@H](C1)C2	2213284715	KOHDDIGCWAPRSM-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
Cc1ccccc1CCC=Cc1ccccc1	2213825581	VTZGIIGOZIZJNG-UHFFFAOYSA-N	222.331	4.641	0	10	BJAE	
CCCC1CCC(C(=O)C[C@@H]2CC[C@H]2C)CC1	2215107748	CPOYWAJANGJJSJ-URGYJCLVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](N)CCCCCCCC1CC1	2216878635	WBQKGXHVXXXKJL-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
C[C@@](N)(CCC1CC1)CC1C[C@H]2CCC[C@H](C1)C2	2218362081	SXEDXQOANLUQSS-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C(CCC[C@@H]1CC[C@H]2CCC[C@H]2N1)CCC1CC1	2218718226	LPXHQWJIFFNYFG-BRWVUGGUSA-N	249.442	4.658	0	10	BJAE	
C(CCC[C@@H]1CCN[C@H](C2CC2)C1)CCC1CC1	2218728328	ULVZIKIWJRAHRY-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@H](N)CCCCC2CC2)cc1	2220028828	WIWSRLCADWBHIR-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
C[C@H]1CC[C@@](CCCCC2CC2)(CNC2CC2)C1	2220044646	JLVDIWYGDKNJRC-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC[C@H]1C[C@@H]1C1CCCC1)C1CCCCC1	2220303884	WCIHIOHBTWRFBO-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC1(CNCCCCCC2CC2)CC2(CCC2)C1	2220935337	FSIBJAYAWWVQPL-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)c1ccc(C2CC2)cc1	2220959220	KAMHNJCDUFTCRU-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
C[C@@H](C[C@H](N)c1cccc2ccoc12)C(C)(C)C	2224159716	WEAUZZHXIHONOO-FZMZJTMJSA-N	245.366	4.505	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)CCCN	2244837842	QUVWHWMCDFDSSG-GJZGRUSLSA-N	227.436	4.604	0	10	BJAE	
CCCCCC1CC(O)(CC2(C)CC(C)C2)C1	2246455651	ZVUBEVVLGWQVJV-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCC(N)(CCC)CC[C@H]1CCC[C@H](C)C1	2246729112	AWBZXSSYBNMHCV-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCC2(O)CC(C)(C)C2)C1	2246729209	SEGQUDRKIJSRPE-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(CC[C@@H]1CCC[C@H](C)C1)C1CC1	2246732893	OMOWGTXBGJCUFB-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCC(C)(C)C2)C1	2246733107	PTILWCLWVOJQFL-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@H]1CCC12CCC2	2247440371	LGJJRNHZOAWPIM-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CCCCC[C@@H]1C[C@@H]1C	2248805186	FKDWVMNCZXTYHC-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1CCC1(C)C	2248817825	XJAZJNXYEWRSHY-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc2sccc2c1	2250355779	MOWBRLFURJVLDS-NSHDSACASA-N	246.375	4.910	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1CC(C)(C)C1)NCC	2250357131	HIXWOTSVAVAAMA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(N)[C@H]1C[C@@H]1C	2250474734	ILUFUIULDISOLG-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@@]1(C)C[C@@H]1C	2250482451	UDNWNTLBFGHHSN-DZKIICNBSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCCC[C@@H]1N	2250513056	DAEXLROWKROTKD-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@@]12CCC[C@@H]1CC2	2251211883	ODHOWKGCGTZFGN-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)CN(C)[C@H]1CC(C)(C)CCC1(C)C	2251711237	HPSANVZXODYUOA-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CC1CC(C)(C[C@H](N)[C@@]23CCCC[C@H]2CCC3)C1	2253767110	RSHNUVUGTALGSV-LAYQYYCJSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2c1N[C@H](CC1(C)CC(C)C1)CC2	2253867648	ARANZNRLHTZAEC-VXKCQOAXSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)CC1CC2(CCCC2)C1	2254118019	CPJWNTTXTMUSRH-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCn1ccc2cccc(F)c21	2254511074	FTCJDQAKAUJGDB-GXTWGEPZSA-N	245.341	4.607	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)[C@@H]1CCCC2(CC2)C1	2254569864	SZCYYRTXOJAUME-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](N)(C[C@@H]2CCC2(C)C)C1	2255009744	PURDMDYLZIGDDH-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C[C@H]2CCC23CCC3)C1	2255012419	ZDQVFKACYRQQTH-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@]1(CC2=CCCCC2)CC[C@@H](C)C1	2255103415	UMGCYRRNHGDOTE-NVXWUHKLSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1C[C@H]2CCC[C@H]21	2257245006	GTOZHQKEBZZXFH-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccccc1OC[C@]12CCC[C@@H]1CC2	2260647242	OKDPCMKWFDEWOG-NVXWUHKLSA-N	244.378	4.598	0	10	BJAE	
CC(C)CCC[C@](C)(N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2300503070	IPPHSJAVMXEBQQ-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@@H](CNC(C)C)C1CCC1	2300677346	YPPMXHZNVSRFON-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@]1(O)CCCCC12CCC2	2300682995	FHVZKTIFONZYIU-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H]1C(C)=CCC[C@H]1C	2300684678	WVRTVHYMEIWUID-BMFZPTHFSA-N	237.431	4.523	0	10	BJAE	
CC(=CCN[C@]1(C)CC1(C)C)CCCC(C)C	2300865787	RPPXPAVJYXBBAO-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C1CC(CC)C1	2300872988	VEBVDFLZYUVVCI-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CCCC1([C@H](CC=C(C)CC)NCC)CCC1	2300877519	REODUFLQCFCEHB-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@@H]1C[C@@H]1CC	2300898672	HBXGKMGTPXLMFI-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC=CCC1(N)CCCCCCCCCCC1	2300921867	UIBZWOQGGHORJU-UHFFFAOYSA-N	237.431	4.955	0	10	BJAE	
CCCC[C@](C)(N)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301143291	SICWYFXBFPUJFD-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCCN([C@H](C)[C@@H](C)C(C)C)CC1	2301978854	RMDFQYZGYTVCPG-ARFHVFGLSA-N	239.447	4.569	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H](C)c2ccsc2)CC1	2303474106	ZNFHPAXSXGRQCZ-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
CC1=C(C)C[C@@](CN)(C[C@@H](C)C(C)(C)C)CC1	2303477718	ZULLCCKZXIQLLX-GDBMZVCRSA-N	237.431	4.524	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@](C)(F)C(C)(C)F	2307645499	IIVCXFMBPQKYDP-ZIAGYGMSSA-N	249.389	4.541	0	10	BJAE	
CCCC1CCC(O)(C[C@@H](CC)CCC)CC1	2307843389	KZTNCGUVFCHZNT-FHERZECASA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1c(C)cccc1C	2307877782	MNBZQOHIEDHFGE-LSDHHAIUSA-N	234.383	4.553	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1CC2(CCCC2)C1	2307905239	WDJYZEYZDHEDGV-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNC(C)(C)C)C[C@@H]1C	2307928220	IXHZXIBFQNVMDF-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@@]23CCCC[C@@H]2C3)C1	2311162625	RQGHDWFERMOHHN-KCYZZUKISA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@@H]3CC[C@H]2C3)CCCCCC1	2312910206	VJSFCCNYJCUMLZ-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC(CC1CC1)CC1CC1)C1(C)CCCC1	2313602474	AGXVGOVKJSHFCJ-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CCc1cc([C@@H](N)C(C)(C)C(C)(C)C)ccc1C	2314702586	OLIISQDMAVSHGF-OAHLLOKOSA-N	247.426	4.630	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1C=CCCC1	2315872761	YHTWQAGCXDGNDT-OAHLLOKOSA-N	243.394	4.887	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1C[C@@H]1C(C)C	2315877437	HUNYVHCDQMPUKV-JKSUJKDBSA-N	245.410	4.822	0	10	BJAE	
CC(=CCC1(N)CC(C2CC2)C1)CCCC(C)C	2316531837	JREAHJRMZRZCQM-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CC(=CC=C1C[C@H](C)CN[C@@H]1C)CCCC(C)C	2316537685	RUWGQPZUTURESD-JKSUJKDBSA-N	249.442	4.703	0	10	BJAE	
O=C(CCCC1=CCCCC1)C[C@@]12CCC[C@@H]1C2	2318518912	NAKLSCINPRMTNJ-WBVHZDCISA-N	246.394	4.807	0	10	BJAE	
OC1(CCCC2=CCCCC2)CC2(CCCC2)C1	2318540881	KQICJIQKVMIGMQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@]1(C)CCCN(CCCC2=CCCCC2)C1	2318576316	NVZVOAIWVBJDKO-QGZVFWFLSA-N	249.442	4.779	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)[C@@]1(C)CC1(C)C	2318587536	UIWFDJAECFSYNO-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCC(C)(C)C1)c1ccccc1	2319129141	OFAMGEZJWFXQNC-KBPBESRZSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CNC3(CCCCC3)C2)C1	2319136947	XOMGSPIQGIQYKH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(NC[C@H]2CC[C@H]2C2CC2)CCC1	2319602515	IHSOHAYYEDMHOR-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(N)CCCC(C)=C2C)CC1	2320328141	OSPCFOBRKKSKNR-DLBZAZTESA-N	247.426	4.731	0	10	BJAE	
CC[C@H](N[C@H]1CCC(C)=C(C)C1)c1occc1C	2320409308	SWQBVJAFGNOILJ-GJZGRUSLSA-N	247.382	4.518	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC(C)=C(C)C1)C1(C)CC1	2320413007	LNHIQIRNYXZZSI-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@H]2CC[C@H](C)CC2)CC1	2320422934	JMYRCYOURMWNGO-RCBQFDQVSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](NC)[C@]1(C)CC=C(C)CC1	2320435340	XMQSVZRJHHBGDC-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@H]2CC[C@@H](F)C2)c1	2320576414	PLUKLHAAJQAUMD-IUODEOHRSA-N	248.341	4.521	0	10	BJAE	
COCCCCCc1ccc2ccccc2c1C	2327595147	RBUZUAMAYNOQJY-UHFFFAOYSA-N	242.362	4.507	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CC[C@H](C)C2)c1F	2327775208	AUZPLEVHMJCSHP-QWHCGFSZSA-N	249.373	4.797	0	10	BJAE	
CCC(CC)CNc1ccccc1C(C)C	21799447	HIIGERDVOWCWOS-UHFFFAOYSA-N	219.372	4.658	0	10	BJAE	
CC[C@H](C)Nc1ccccc1-c1ccccc1	21816306	LSGRCEWLWYSDRA-ZDUSSCGKSA-N	225.335	4.564	0	10	BJAE	
CCCN[C@H](c1c(C)c(C)cc(C)c1C)C(C)C	35581823	RCFLMJVZFVWROZ-KRWDZBQOSA-N	247.426	4.617	0	10	BJAE	
CC(C)[C@H](C)Nc1ccc(-c2ccccc2)cc1	37056998	FCFOHBSTGXBYEW-AWEZNQCLSA-N	239.362	4.810	0	10	BJAE	
CCCCCN[C@@H](C)CC(C)(C)c1ccccc1	37188816	NHVHKWHFDSMULL-HNNXBMFYSA-N	247.426	4.523	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccc(F)cc1C	70977662	HHXVGBVITIFJEO-WFASDCNBSA-N	235.346	4.515	0	10	BJAE	
CCCC1CCC(N)(C[C@H](C)CCC)CC1	71084861	SIPXLVASQUJRAG-WLYUNCDWSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@H]1CCC[C@@H](CC)C1	71112539	CPTRUWUTXYTNAQ-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CCC)CC(=O)c1ccccc1	71602695	AFOOTTNDNHOWBV-CQSZACIVSA-N	232.367	4.866	0	10	BJAE	
CCC[C@H]1CCC[C@H](NC(CC)CC)CC1	83437185	SLABXVHCIYDKPI-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@](C)(O)[C@H]1CCCC[C@@H]1CC	87649043	FCABACLTKVRGQH-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCC1CCCCCC1	89560681	FRHWJXVEUVYXHD-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CC)CCCCCN1	91874388	WJHMMHAZTLXFHJ-HOTGVXAUSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CCCC[C@@H]1CC	93074024	QQXFYOJGQSDFLL-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)CCCCC1(C)C	94284566	NTCVIKFIYOXAMT-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC1(C)C)c1ccccc1	94306026	PDKABNXPZCLYEZ-HOTGVXAUSA-N	245.410	4.696	0	10	BJAE	
C/C=C\C[C@@H](C)c1c(C)cc(C)cc1C	107532727	NHYWLKPDPXEXPK-ZHRWSRJISA-N	202.341	4.682	0	10	BJAE	
CC[C@H](N)CC[C@@H](C)c1c(C)c(C)cc(C)c1C	107657513	JGKLBDAHSWINDB-BZNIZROVSA-N	247.426	4.541	0	10	BJAE	
CCCN[C@@H](c1ccc(CC)cc1)C(C)(C)CC	110215241	PQMPTUNOOCZBSR-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
Fc1ccc(-c2ccccc2C(F)(F)F)cc1	112731998	NUZIXEFOPRLHCS-UHFFFAOYSA-N	240.199	4.512	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)c1coc2ccccc12	122989468	JGDWLDOQJLKFRE-WFASDCNBSA-N	245.366	4.520	0	10	BJAE	
CC1CCC([C@H](O)CC2CCCCCC2)CC1	124339911	YJUOPMZOJODJRD-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1ccc(C)c(C)c1	124552486	ITIZKKZSALQTQX-WBVHZDCISA-N	247.426	4.910	0	10	BJAE	
CC(=O)c1ccc(C2CCC(C)(C)CC2)cc1	140037989	FRAHURRNEHXBOD-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC[C@@H](C)c1ccc(OCc2ccccc2)cc1	142117499	MHSKBTHCFREGAJ-CQSZACIVSA-N	240.346	4.779	0	10	BJAE	
CCCN[C@H](CCC1CCCCCC1)C(C)C	149444366	QSLGSPKFEHJEFQ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)CC1=CCCCC1	161331906	GCGNVWXUFLYCHW-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC(C)NC[C@H](C1CCCCCC1)C(C)(C)C	162361435	VKJJVSLXPJXLPU-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc([C@H](C)NC[C@@H](C)C(C)(C)C)c1	162658185	ZLYUDKYDDNWRFC-CABCVRRESA-N	247.426	4.636	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C1CCCCC1	165814072	OMTBKEDPEHOSEM-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@@H](O)c1ccc(C(C)(C)CC)cc1	167652751	RGELGCHIJKQMPK-XJKSGUPXSA-N	248.410	4.844	0	10	BJAE	
CCCCC[C@H](O)c1ccccc1C(C)(C)C	168414440	NGHJFZWAXGUFRL-HNNXBMFYSA-N	234.383	4.598	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)[C@H]1CCC[C@@H](C)C1	218737234	CCAWDWGGIWRUML-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1	220573253	VQQRKFQFTMHNCG-AEGPPILISA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CC[C@@H](CC)C1	227220691	NNGAOOUYPUYMCG-ZNMIVQPWSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1(C)CCCC1	228725939	YLZSUEXPTZUUKW-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](N)c1cc2cc([C@@H](C)CC)ccc2o1	232359600	LVYZGEPELIGKNF-FZMZJTMJSA-N	245.366	4.746	0	10	BJAE	
CCCCCC[C@@H](N)c1scc(C)c1Cl	232963394	SVQPEVAEEWVDBD-SNVBAGLBSA-N	245.819	4.680	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2ccc(C)c(C)c2)C1	235679375	DPPCZMVTNZSPRU-WBMJQRKESA-N	243.394	4.708	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1CCC[C@H](C2CC2)C1	251573650	ATXBWRQTVXYHMS-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@H](C)C(C)C	252907745	WZOQTBZLQMLHBE-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CC[C@H](CN)[C@H](CCCC(C)(C)C)C1	302247401	AXXMYIUTUGGVKY-RBSFLKMASA-N	239.447	4.604	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1CCCCC1(C)C	304136542	DLDCSLFXZZJFMB-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CSc1csc2c(S)c(Cl)ccc12	307265328	KGVAZXFJVQYPJB-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCC1(C[C@H](O)[C@@H]2CCCCC2(C)C)CCC1	310158678	QTBXQTLPUJBUET-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@H]1Nc1ccccc1-c1cccs1	310385268	QIXCSDKCQRLPJW-DGCLKSJQSA-N	243.375	4.626	0	10	BJAE	
CCC[C@@](C)(CNCC)CC1CCC(C)CC1	310546415	VBUOBVQMZFKNQD-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CC2(C)CCCC2)c(C)c1	311193865	FLTTYRQAVDFSGI-HNNXBMFYSA-N	246.394	4.616	0	10	BJAE	
Clc1sccc1[C@@H]1CCc2ccccc2N1	312548505	ADBRPPHWDPQQOA-LBPRGKRZSA-N	249.766	4.501	0	10	BJAE	
CC(C)=CC[C@@]1(CNC(C)C)CCC[C@H](C)C1	319267884	ZWDOCJNPRLZKDF-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Oc1ccc(C)c(C)c1	379883529	WDKISTRLDCMELE-GOEBONIOSA-N	232.367	4.651	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1CCCCC1(F)F	382077364	HSGJDGYPAAEZHB-GFCCVEGCSA-N	248.357	4.533	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(O)CC1(C)CCCC1	383654817	KERSNRNBRBKLNY-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](O)c1ccc2ccccc2c1C	384406456	PXLXTKSVDKBEPW-QGZVFWFLSA-N	242.362	4.762	0	10	BJAE	
CCCCc1ccc([C@@H](N)C2(CCC)CC2)cc1	384997659	SFJSURGNWQBXSC-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1ccc2sccc2c1	386666314	ULLDACYYJODHJE-ZDUSSCGKSA-N	248.391	4.761	0	10	BJAE	
CC[C@@H](Nc1cc(C)cc(F)c1)C1CCCC1	387644576	YGQWQNSJCLJORC-OAHLLOKOSA-N	235.346	4.515	0	10	BJAE	
C1CCCC(C[C@@H]2NC[C@@H]2C2CCCCC2)CC1	394567634	JTCNBFDGSLFGNV-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCc1cc(C(F)F)c2sccc2c1F	396216857	PLECNYRJKHKJEK-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCOc1ccc2c(C)c(C(F)F)sc2c1	396237424	ILSYLDNZCJNUSZ-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1csc2cc(C)c(C(F)F)cc12	396404881	KLSXBEQENQGDBS-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCCc1ccc(NCCC2CCC2)cc1	398753568	FHHCDUQWAASGMW-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@@H](CC)CC(C)C	401119767	NTFYRXWKMIPHHW-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)CC1(C)CCCC1	401313765	YSVLLKYYEVFQBB-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCNc1snc2ccccc12	686313011	VHENVWDYXZNWFG-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)C1CCCCC1	688941306	YVRAQTSCTJASMV-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1cccc(C(C)(C)C)c1	691654118	RZWMGAHILDEJFO-OAHLLOKOSA-N	247.426	4.810	0	10	BJAE	
CC(C)C[C@H](C)CNCCCC1CCCCC1	694059132	HRINUVDGZVFXFW-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H](C)C(C)(C)CC	695146432	KUJNPTJPRALWIC-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1CC[C@H](CC)CC1	696571675	JTIBCWXYNZYIGR-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CC[C@@H](NC)[C@@H](CCC(C)(C)CC)C1	696798288	AOOCGEPIZNCACU-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@H](C)CC	697769717	PQAAWMWDQVSNTB-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCCC)C(C)(C)CC	701185747	SVPLDRYZXFXFGN-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCCCCC2)CC1(C)C	705298743	AJNFCUFSYPYGGD-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CCCCF)[C@H](C)CC(C)(C)C	708295666	DWRHKDHCZABXPC-ZIAGYGMSSA-N	245.426	4.567	0	10	BJAE	
C[C@H](CC(=O)C12CCC(CC1)CC2)C(C)(C)C	710119693	XZRACOVIKJERIT-VEAWUBTESA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1C[C@H]2CC[C@H](C2)C1	711046749	HIPGEAAZOXZOPY-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(O)C[C@@H](C)CC(C)(C)C1	713148191	YVSPXZNLHNUHND-BBRMVZONSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)[C@@H]1C[C@@H]1CC(C)C	713667934	IRPCVOJKMILIFV-BHOBLMPXSA-N	249.442	4.559	0	10	BJAE	
C[C@H]1C[C@@H](C2CC3(CCC3)C2)c2ccccc2N1	717543377	PAJDIWOSTBKJBU-WFASDCNBSA-N	241.378	4.555	0	10	BJAE	
CC[C@@H]1CC[C@@H](CN)[C@H](CCC(C)=C(C)C)C1	718497580	ULYVZEWOHWHCFT-OAGGEKHMSA-N	237.431	4.524	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1cc(C)c(C)s1	718572299	KXKLPGLDLSQLLU-CYBMUJFWSA-N	237.412	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCCCC2(C)C)C1	719291351	KJSGUJVHEHMMSX-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCCC2(CC2)C1	723569996	CXKZLSPZSKAKSY-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)CSCc1ccc(C(F)(F)F)cc1	1188093988	FCBHBELFQVLZCB-UHFFFAOYSA-N	248.313	4.595	0	10	BJAE	
CC(C)(C)C1CC(NC2CCC3(CCC3)CC2)C1	1461545246	YDWBPZMQEZNHML-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC(C)CCC[C@@](C)(O)[C@H](C)CCC(C)C	1900584999	ZRVWHBGCJBEMSK-HUUCEWRRSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](C)CCCC(C)C	1900592517	CIJLMTYEMKACJJ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC[C@](O)(CC1CCCCCC1)C(C)(C)C	1901113221	WKGOSFJEVMIXJW-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)c2cccs2)C1	1902279053	ATTGUDZCQSEPCE-NSHDSACASA-N	236.380	4.537	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1cccc(Cl)c1	1905293358	NHILTPQWSLFUSG-NSHDSACASA-N	238.758	4.739	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CC[C@H](CC)C1	1905307076	QFSRSNCTOXCNLN-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1(CC)CCCC1	1905442240	COEQEXWABDQGFA-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CC(C)(C)CCC1=O	1905444004	KCQXVTUELCBECL-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1csc(C)c1C	1905445702	QZSAWIFRDXUSRG-OCCSQVGLSA-N	239.428	4.581	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1CCC1CCC1	1913414559	MWLVQWATYGLVCT-OAHLLOKOSA-N	236.399	4.886	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC(C)(C)C)C=CCCC1	1916568699	LPYMDHAGRKJUNF-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@](C)(N)c1cc2ccccc2o1	1920447149	ZZOUERJCLMKSTH-INIZCTEOSA-N	245.366	4.577	0	10	BJAE	
CCCC1CC([C@@H](CCC2=CCCCC2)NC)C1	1921290389	SGTRCTXLFPGLED-OFLPRAFFSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC([C@@H](C[C@@H]2CC=CCC2)NCC)C1	1921320606	OHHWTZSUGVTCBB-RDHHWEPZSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@]1(C[C@H]2C=CCCCC2)CCCCCN1	1925926385	HFNQCPLMXMMRJF-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
Cc1sc(Cl)cc1[C@H](O)CCC(C)(C)C	1933589059	PVLILIUDCKDIHS-SNVBAGLBSA-N	246.803	4.570	0	10	BJAE	
CCCCCCC(=O)CC(C)(C)C(F)(F)F	1937771209	ULVNADDUDVZFHD-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CC[C@H](C[C@H](N)c1cc(C)cs1)C(C)(C)C	1939454248	WKKMAMAFVRQEQE-NEPJUHHUSA-N	239.428	4.519	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](C)Nc1ccccc1F	1940248357	JXPRSQICFXSCGS-GFCCVEGCSA-N	237.362	4.554	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)CC(C)(C)C	1940852241	CYFQKMUVSNDEKV-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCC1(NCC2CCCCCCC2)CC1	1942343594	VZGJTZOXNFOMDV-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](N)C1CCCCCCC1	1944844872	CSDBKENKPJQHMU-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@@H](N)C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944846829	SHRGKGIICWKFLT-LJISPDSOSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@@](C)(O)c1cccc2sccc12	1945960830	PBTJLIOJOOCEKZ-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CC1(CCNC2CCCCCCCCC2)CC1	1947879226	BGMKQXCPLFFQSG-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H]1CCCCC12CCC2	1947880824	HTWDFGBUSKZTLP-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@](CC)(CNCCC)C1CC(C)C1	1948147019	RFUIRKZCMQSIHB-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](N)CC2CCCC2)C1	1949871901	VGJIKUBLKMXYQJ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCC=C[C@@H](C)Cc1ccc2c(c1)CCCC2	1951307437	XKQWDUGCQSLSFJ-CQSZACIVSA-N	228.379	4.710	0	10	BJAE	
C1CCCC(CN[C@@H]2CCCCC23CCC3)CC1	1965980954	VOGNCPFRCLIRCK-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC(C)CCC[C@@H](C)NC[C@@]1(C)C=CCCC1	1967836746	IYJCAXVVTYYJDV-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
C1CCCC(CCN[C@H]2CCC[C@H]2C2CC2)CC1	1967852975	ORGVRIQWJZKTQC-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1967861429	XYEMNTJADQLLKL-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC1CC2(CCCCC2)C1	1972429312	ZWMWQTWVIVVDOI-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCCC(CCC)CNCCCCC(C)C	1981290721	WHCSSMMYRNZYMR-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCCCCC[C@H](O)CC1(CCC)CCC1	1988462901	APOPZEFWRIVAMY-AWEZNQCLSA-N	226.404	4.678	0	10	BJAE	
CCCC[C@H](O)CC1CCC(CCC)CC1	1989772617	QYIVKBXVNDZWGP-NRXISQOPSA-N	226.404	4.534	0	10	BJAE	
CCCCCCN(C)CC(CC)(CC)CC	1990805037	CAJATKVWWSLIBP-UHFFFAOYSA-N	227.436	4.715	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H](C)CC(C)C	1990849455	QONRCURUDPMRCP-HNNXBMFYSA-N	227.436	4.569	0	10	BJAE	
C[C@H]1CC[C@@H](c2nc(C3CCCC3)cs2)C1	1995498901	VOKKHNGRGGPRJL-CMPLNLGQSA-N	235.396	4.704	0	10	BJAE	
CCC1(N[C@@H]2C=CCCCCC2)CCCCC1	1995692119	YPUYHHHWDMEKLP-OAHLLOKOSA-N	235.415	4.578	0	10	BJAE	
CCCN(CC(C)(C)C(F)(F)CC)C(C)(C)C	1995718592	HZVFGJGWULMUND-UHFFFAOYSA-N	249.389	4.568	0	10	BJAE	
C[C@H]1CC[C@H](CC2(CN)CCCCCCC2)C1	1996262787	GTJNQNQNDYFQIY-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CC[C@@](O)(CCCC1CCC1)C1CCCCC1	1996545808	CNAIAHGPFCMROO-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)CCC1CCC1	1998048118	SYKYWFKPHGLGLZ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC(O)(CCC)CC1CC(C(C)(C)C)C1	1998260065	XEDLCZYVOFHUQF-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCN(CCC(C)=C(C)C)c1ccccc1C	2000902090	FDVMZHJLESUQCX-UHFFFAOYSA-N	231.383	4.568	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CC12CCCCC2)NC	2001220189	SBEVHTDVOKOACC-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](C)(O)CC1[C@H]2CCCCC[C@H]12	2002198836	ZSTPRLGLWOUJLF-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@](C)(O)CC(CC)CC)CC1	2002923896	HZAKJQMHROASCB-UYSNPLJNSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)[C@H]1CCCC(C)(C)C1	2003018821	LEGRQAGXRDQBAK-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H]1CCC2(CC2)C1	2003222878	ZTPWBTXYAXLVFL-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCC[C@H](N)c1ccc(C)cc1	2003628682	PRWKMYPTWREMIA-HNNXBMFYSA-N	233.399	4.601	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@H](CCCC(C)C)C1	2006623042	GZZKDYQBXMMHJM-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1C[C@H](CCCC(C)C)CC[C@H]1C	2006959762	WQTWQORLGZDNRV-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](C=C1CCCCC1)NC	2007936651	GZJHNOUOICMTKH-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](CC(=O)CC1CC(C)(F)C1)C(C)(C)C	2013165234	ALHNTQOHYCDMIJ-MQYJIDSJSA-N	242.378	4.546	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC)CC(C(C)C)C(C)C	2015413301	UISSVERZWKMGKR-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@@H](C)CC(C)(C)C	2016144668	KKDJEVPBDOOVCY-HOCLYGCPSA-N	240.431	4.946	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CC(C)(C)CC(F)F	2016144712	KYWPKSIJJUAGIF-CQSZACIVSA-N	248.357	4.555	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)CC1(C(C)C)CCC1	2017147143	ZQVWJPUTTIVGLT-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H]2CCC[C@H]21	2018128637	CKXWZILPHTXBNH-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCCC1(CC(=O)C2(C)CCC(C)CC2)CC1	2018924828	PCFIGACTPFCYIU-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC1(C[C@H](O)CC2CCCCCC2)CC1	2018965137	OLBPXQKQRHJCJS-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@](C)(CCC)CNC(C)C)CC1	2018983075	SMFMLNOQPKICDW-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@H](N)[C@H](CC(C)C)C(C)C)CC1	2018994715	MCMKUUGBPMEYEM-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H]1CCC[C@@H](C)CC1	2019382423	PEDGTMRFWJHDGW-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCC2=CCCCC2)CC1	2019783321	YVOAGDQQNPQUIC-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCC(C)(C)[C@@H]1O	2020406313	SMYGJGAIXUTOJL-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N(CC(C)C)C1CCCCC1	2020535942	PDLSYLKIZAZJCX-HUUCEWRRSA-N	239.447	4.712	0	10	BJAE	
Cc1cnc(-c2cccc(C(C)C)c2)cc1Cl	2023461305	WQQHDTOSAGSFBW-UHFFFAOYSA-N	245.753	4.834	0	10	BJAE	
CCN[C@@H]1CC(C)(C)C[C@H]1CCC(C)(C)CC	2023615206	CVERZQHVOOFVMH-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(CC(=O)CC2CC2)CC(C)(C)C1	2024093241	ZTYAAMQWILMEIT-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCNCCC=C(C)C[C@H]1CCCC(C)(C)C1	2024094651	LTZLVZDVGULGRV-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC1CC2(CC2)C1	2026082640	SJKOHXFQKQKCLU-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@](N)(c1ccccc1)[C@H](C)CCC(C)C	2029825563	QNWQZFGFJXKYLL-WBVHZDCISA-N	247.426	4.713	0	10	BJAE	
CCCC[C@H](NC)c1ccc(C2CCCC2)cc1	2031750227	PWUIXVPOTZTSKO-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CCC/C=C/CNc1ccc(C)cc1OCCC	2036763337	OVYISOYCXPPUBP-BQYQJAHWSA-N	247.382	4.552	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C[C@@H](C)CC(C)C)cc1C	2037105880	UDAJPVPUQFYHDE-SJCJKPOMSA-N	247.426	4.684	0	10	BJAE	
CCN[C@@H](CC1CC(C)(C)C1)C[C@@H]1C=CCCC1	2037973282	WTHPTCUQSMRUDH-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@@H](C)c2nc(C[C@@H](C)C(C)(C)C)[nH]c21	2038006763	IALHXULFXOSTRT-GRYCIOLGSA-N	248.414	4.635	0	10	BJAE	
O=C(CC[C@@H]1C[C@H]2C=C[C@H]1CC2)CC1CCCC1	2038112639	ORFRNYDGIUOGPX-HRCADAONSA-N	246.394	4.518	0	10	BJAE	
CC[C@H](CC1CC1)Nc1ccccc1C(C)(C)C	2038354504	NHARGVVMDYXAAL-CQSZACIVSA-N	245.410	4.975	0	10	BJAE	
Cc1ccc(F)c(NC[C@@H]2CC23CCCCC3)c1	2039049702	BKTFSZUXTQWTSS-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
C[C@@H](CC(C)(C)C)NC1CC2(C1)CC1(CCC1)C2	2039461340	DCTXOTWTWWADCM-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@@H]1CC12CCCCC2)C1(C)CCCCC1	2039866678	AKOAYNSAMCOEMY-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1C[C@@H](NC[C@@]2(C)CC=CCC2)CC(C)(C)C1	2042071818	KDYYBFBJNIOTLO-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCC1([C@H](N)C[C@H]2CCC=CCCC2)CCCC1	2045316289	CJBJDWXGQRMEDY-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@]2(N)C[C@@H]3CCCC[C@@H]3C2)C1	2045385296	OTSLKTDVVUSUMW-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC1(N)CC2(CCCCCC2)C1	2046232390	WRVAHBOKKGQWAG-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CC23CCCCC3)CCCCC1	2047013164	TWHOLPGZLCVTSN-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@H]1CCC12CCC2	2047931904	IZASHPYGEVUCPL-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C=C1CC[C@H]2CCCN[C@@H]2C1)CC	2048079160	XARYLLYMRWXYSV-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C(CC1CCCCC1)=C1CCC2(CCCN2)CC1	2048949557	XFAOOXBAJGJMLZ-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
Cc1ccc(C2(N)CCCCCCCC2)c(C)c1	2049678151	JTRVXODVCXIVMC-UHFFFAOYSA-N	245.410	4.592	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1cccc(C)c1F	2051397466	AIXKJDMSIQMSKY-OAHLLOKOSA-N	249.373	4.531	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2051400156	IVZXCZWMSMLFRD-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]([C@]2(CN)CCCCC23CCC3)C1	2053413021	VBWNKIQOZNQBGH-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
CN([C@H]1CCC(C)(C)C1)[C@@H]1CCCCC12CCC2	2053434634	VAFIBDGKKSJRAL-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC(C)(C)C1N[C@@H]1C=CCCC1(C)C	2055520999	IIHBSCYNESAWBS-CYBMUJFWSA-N	249.442	4.536	0	10	BJAE	
C=CC=CCC[C@@H](NC)C1(C)CCC(C)(C)CC1	2056559186	PUHZIFSOXYFZKW-OAHLLOKOSA-N	249.442	4.703	0	10	BJAE	
Cc1cccc(NCC2CC(C3CCC3)C2)c1C	2056730707	NCBYJADGYSTDAI-UHFFFAOYSA-N	243.394	4.542	0	10	BJAE	
CC=CCCC[C@](C)(N)c1ccc(CCC)cc1	2059196645	RUJRGCPLWRAHKG-KRWDZBQOSA-N	245.410	4.559	0	10	BJAE	
CCSc1cccc(Sc2ccccc2)c1	2060343753	CAKBUZLICSLXQN-UHFFFAOYSA-N	246.400	4.950	0	10	BJAE	
C[C@@H]1CC=C([C@](C)(N)C2CCC(C)(C)CC2)CC1	2060912131	CFWAXSVGUQTXAL-DYVFJYSZSA-N	249.442	4.667	0	10	BJAE	
CC[C@](N)(C1=CCC(C)(C)CC1)C1CCCCC1	2061123142	VHGXLIJKODTSQI-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
C[C@H](NCC[C@]12CCC[C@H]1C2)C1CCCCCC1	2061572958	UUENVNRWMPCYBR-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C[C@]12CCC[C@@H]1C2	2061614144	CLLGBQJXGJPKGJ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC[C@@]23CCC[C@@H]2C3)CC1	2061618882	XIKMNPONUMKXHJ-QBPKDAKJSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CC1CC(=C2CCC2)C1	2061703415	FEVUGRGLBUGXEO-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C1CC(=C2CCC2)C1)[C@H](C)[C@@H](C)CC	2061741086	HDGCDWVGRKKCKD-AHIWAGSCSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(C[C@H]2C[C@H](N)CC3(CCC3)C2)CC1	2063641450	NOEASVUZWTULBF-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H]1CCCC(C)(C)CC1)C1CC2(CC2)C1	2064499182	ZQDJLTXIEAWGAI-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CCC1([C@@H](N)CC23CCC(CC2)CC3)CCCC1	2065303070	OBBGDJQGIIZVKI-PCKAHOCUSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)C[C@H]1CC12CCC2	2069174882	LXIZTYKWZZMNLY-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2C(C)=CCC[C@@H]2C)CCC1	2069289676	MIOFZRGHXGIZAI-JYJNAYRXSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C[C@]12CCC[C@@H]1C2	2070860021	AGPUMSGDHFGQQU-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)c2ccc(F)cc2)CC1	2072702202	JHIMUVHHIGJAOB-JOCQHMNTSA-N	248.341	4.615	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2073341554	KUIGLGCXVLUJIE-YVSFHVDLSA-N	249.442	4.680	0	10	BJAE	
C[C@H]1CC[C@]2(CCN2[C@@H]2C=CCCCCC2)CC1	2074801531	GSAIZDBLDCDRQA-ZACQAIPSSA-N	247.426	4.530	0	10	BJAE	
CC(C)CCCCCN1c2ccccc2C[C@H]1C	2075147623	WUDLEZASRRFYMO-OAHLLOKOSA-N	245.410	4.654	0	10	BJAE	
CCC[C@H]1CC[C@H](CN2CCC(C)=C(C)C2)CC1	2075339792	XUSJBQLJQMJPNY-QAQDUYKDSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCC=CCCC2)[C@@H]1N	2076392139	FILBLRADTVLSSJ-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@@](C)(O)c1ccc(CCCC)cc1	2078004091	UYPYBKSBQSCZKF-QGZVFWFLSA-N	248.410	4.817	0	10	BJAE	
O=C(CCC1CCC1)[C@H]1C[C@@H]1C1CCCCCC1	2079473294	KCFMBRXKALYXDU-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@@H]2C2CCCCC2)CCCC1	2079837875	CVVJFVNUHVQSDY-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@H]1CCC=CCCC1	2081780010	OGGUIOOMCPPVPF-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
C[C@@H](C[C@H]1CCCC2(CC2)C1)[C@H]1CC[C@H](N)CC1	2082135284	BJNWHKJHGXDAEF-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(CN[C@@H]2C[C@H]3CCC[C@H]2C3)CCC1	2086200812	OFLRDOYICFVHOK-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@H](NCC)c1scc(C)c1C	2210575837	BVVUHNHKZUDJCZ-CYBMUJFWSA-N	239.428	4.596	0	10	BJAE	
CCC[C@](O)(CC)CC1C[C@H]2CCC[C@H](C1)C2	2213276186	WVKGZXSFPLNBTR-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
C1CCCN(CCCCCCC2CC2)CCC1	2213583094	OGWAWXUWHRIAMY-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
Cc1sc(CNC(C)C)cc1C1=CCCCC1	2214027063	AITVNWPCKCILPL-UHFFFAOYSA-N	249.423	4.512	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCCC(C)(C)C)CC1	2215823055	DRDOHUSNGKYLSM-INIZCTEOSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1c(C)cccc1C	2216065936	QDHKYXZIDLTZEO-GDBMZVCRSA-N	233.399	4.520	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)[C@@H]2CCC(C)(C)C2)CC1	2221602165	PIZNVSYQQKJZIJ-NVXWUHKLSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H]([C@H]1CC1(C)C)[C@]1(C)CC=C(C)CC1	2221608568	AVJLIEJMZQCFPT-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)c1c(C)cccc1C	2222008786	JOGPOBXZMNOVBE-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
C(CCCN[C@H]1CC12CCCC2)CCCC1CC1	2223158434	IKDCCLRNURNQAD-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(CNC3CCC3)CC2)CC1	2223567081	VDNJXLSHCFVLLM-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@H](C)c1ccc(C)cc1	2223955473	QLSMCCZRNIQCIW-GDBMZVCRSA-N	248.410	4.676	0	10	BJAE	
CC1CC(C)(CC(=O)[C@@H]2CCC[C@@H](C)CC2)C1	2246527922	SLHSCNJXSXTDHW-ILTLLKDXSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC[C@@H]1CCCCC12CC2)NCC	2246628418	XZPZHGQEANGYSO-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)CCC(C)(F)F)C1	2246654417	AXRQLQVVIRTVNJ-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](C)[C@H](CC[C@@H]1CCC[C@H](C)C1)NC	2246723584	AJSMVENXAUFJSH-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](O)C[C@@H](C)C(C)(C)C	2247165083	PTGLUKDPGXPNFU-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(C(=O)C2CCCC2)cc2ccsc12	2248566260	GDGPASMHJISWIT-UHFFFAOYSA-N	244.359	4.583	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(F)c(C)c1F	2250380190	XWGJEFNGBANXHH-NSHDSACASA-N	241.325	4.511	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@H]1CCCC2(CC2)C1	2250380467	HAEASTAWGBZHDS-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC1=C[C@@](N)(CC[C@@H](C)CCCC(C)C)CC1	2250481497	MIBAVBJNLDQNSA-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@H](NCC)[C@]12CCCC[C@H]1CC2	2251107004	UAEVQFDUPUXHCG-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CN[C@H]1CC(C)(C)CCC1(C)C	2251662803	AAKPZSZINJWYBX-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@@H](CC[C@H]2CCCCC23CC3)N1	2253857066	RKGICFLPCMRWCG-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@@H](C)C1)[C@]1(C)C=CCC1	2253937185	UYOWHTBDFLRSJT-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(N)(CC2CC3(CCCC3)C2)CC1	2254109587	QWNBTPYWFVKHQO-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CCCC[C@@H]1C[C@@H]1C	2254613116	ZFHZWQBNRNGMGB-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC1CC2(CCCC2)C1	2257311738	NTFVKIZXZKBZLM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(C(=O)CCCCC[C@H]2C[C@@H]2C)o1	2257363493	YPAQIUZDMKDKMS-STQMWFEESA-N	248.366	4.631	0	10	BJAE	
Cc1cc(N[C@H](C)CC2CCCC2)cc(C)c1C	2258242319	WKDHYWOUPNXCNV-CQSZACIVSA-N	245.410	4.993	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1ccc(C(C)(C)C)cc1	2259445935	XTSQTRUIWMYQIF-CJNGLKHVSA-N	248.410	4.844	0	10	BJAE	
O=C(CC[C@@]12CCCC[C@@H]1CC2)CC1CCCC1	2260569754	XPKNKGMQMRUMFN-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CC[C@](N)(C[C@@]12CCC[C@H]1CC2)C1CCCCC1	2260658502	PPCYKCSDQJKRIT-XIRDDKMYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC1CCC1)C[C@@H](N)CC1CCCCC1	2298935213	GNWGKDNREOZXDB-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CCCC[C@@H]1C	2300877965	WKNQUBISEGKURI-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C(=O)CC=C(C)CC)CC1	2300900029	UGWIGBBJEXJBHD-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CC(C)Sc1ccccc1N[C@@H]1[C@@H](C)C[C@H]1C	2300940647	UZMKWKKPCAJLRG-JYAVWHMHSA-N	249.423	4.644	0	10	BJAE	
CCC[C@@H](CNC(C)C)CC1CCCCCC1	2301244208	KGQZLQAUBXCFQY-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@]1(C)CCCN([C@@H](C)[C@@H](C)C(C)C)CC1	2301970409	GFVHINZXGPDNEH-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1CC(C)(C)[C@H]1C	2302115387	MWMJPAJBGKWIOP-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC1CC(O)(CCCC2=CCCCC2)C1	2302354354	QFYIZRABKSJWQV-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1CC[C@H]1C(C)(C)C	2303400480	XCLBTQAUKFQIJN-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CC[C@](O)(C[C@@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303487578	OCUNMGOQNPDTMA-ZENOOKHLSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](CC)CCC[C@@H]1CCC(C)=C(C)C1	2303576013	RGDXAQAYDWOBQJ-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CC[C@@H]1CCC(C)(C)C1	2304433565	DDMJBBMFGIONIS-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCCCCc1ccc(CC(F)(F)F)cc1	2307642255	PCWYJGCOAAUWSK-UHFFFAOYSA-N	244.300	4.914	0	10	BJAE	
Cc1cc(-c2ccccc2OC(C)(C)C)cs1	2307647720	LKPDENKVSQEGEL-UHFFFAOYSA-N	246.375	4.901	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc([C@@H]2CCCCC2(C)C)n1	2307685226	YACVRVZNVCMPJU-UTUOFQBUSA-N	249.423	4.950	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc(CC)cc1	2307749216	HZUMHAFRRAFVCC-AWEZNQCLSA-N	232.367	4.648	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCC)CNC1CCC1	2307844553	OCGFEKHNAJBUFO-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@@H]1CCC[C@@H]2C[C@H]12	2307907625	MOEUVIALVUBRSQ-TTZDDIAXSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313184723	KNKOWSYOKDEQEN-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCc2cc([C@H](C)CC3CCC3)ccc2N1	2313641336	IVZICBVLENHXCH-CHWSQXEVSA-N	243.394	4.727	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1cc(C(C)C)ccc1C	2315874983	RDLUFIPVFSSPNV-CVEARBPZSA-N	245.410	4.967	0	10	BJAE	
CC(=CC[C@@]1(N)CC12CCCC2)CCCC(C)C	2316525655	FBBVGLIVQDNFIL-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316871700	DDSBPSPJSMBZEF-NPJQDHAYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CC1CCC2(CC1)CC2	2318938525	KVOQDIGJDNQTKF-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)(C)C1)[C@@]1(C)C=CCCC1	2319320566	NZWXYLYUNJVLTQ-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@H]1CC[C@@H]1C1CC1	2319579463	UMUFPVABJAWLIM-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](C=C(C)[C@H]2CC[C@@H](N)CC2)CC1	2320333585	IBRQOTUSNKBMFW-YESZJQIVSA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)[C@H](C)C2(C)CCC2)CC1	2320345495	AJJWQEOFWZBVTR-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H](CC1CC1)C1CC1	2320523124	JTKDOBDTFOXRAK-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCN(C1CCCCCC1)[C@@H](CC1CC1)C1CC1	2320775473	IIWVUARPBGZBSU-KRWDZBQOSA-N	249.442	4.610	0	10	BJAE	
N[C@@H](C1CCCCCCC1)[C@H](CC1CC1)C1CC1	2320802741	SOHCCFSARVEIQW-SJORKVTESA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cccc(Cl)c2)cc1	20549425	MOZWFPGBRDDZBR-GFCCVEGCSA-N	245.753	4.822	0	10	BJAE	
CC(C)CCCCCCNC[C@@H]1CC=CCC1	21013041	FSYNUQIVNHQPMG-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(F)c(F)c1	21054250	VDZOHADLRLTHGK-GHMZBOCLSA-N	241.325	4.592	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NC1CCCCCCC1	21801084	MTGYURQHTXXIFV-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CC(C)c1cc(C2CCCCC2)ccc1O	34307922	JOWPLRSFXZJHJJ-UHFFFAOYSA-N	218.340	4.563	0	10	BJAE	
CC(C)c1ccc([C@H](N)CCC2CCCC2)cc1	36819655	ZZBANSKQZBQVMF-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
c1ccc2c(c1)oc1ccc(NC3CCC3)cc12	44480392	NPBQDTGQCHJXFG-UHFFFAOYSA-N	237.302	4.550	0	10	BJAE	
CC(C)(C)c1ccc2oc(C3CCCC3)nc2c1	62533905	UPRXUZUQRRXGMP-UHFFFAOYSA-N	243.350	4.783	0	10	BJAE	
CC(C)CC[C@H]1CCCC[C@@]1(O)c1ccccc1	62722911	LLPLCMCXEWXFPO-IAGOWNOFSA-N	246.394	4.501	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@H](NC)C(C)C	70746838	YARZLZSLVBRULF-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCCCCn1ccc2cc(C)ccc21	75233498	VJCVKIGHJNQAAK-UHFFFAOYSA-N	215.340	4.530	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](CCN)C(C)(C)C)cc1	76633228	BQTYJOFJLJULHG-CJNGLKHVSA-N	247.426	4.679	0	10	BJAE	
C=Cc1ccc(-c2ccc(Cl)cc2)s1	82762125	VMOKEDGQDKTNOG-UHFFFAOYSA-N	220.724	4.712	0	10	BJAE	
CSc1ccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C)cc1	85084094	SLLHRWKWPVXCMD-SLEUVZQESA-N	249.423	4.645	0	10	BJAE	
CC[C@H](N[C@@H](C)c1ccc(C(C)C)cc1)C1CC1	86117618	FPHXMWYIEOTZIW-GUYCJALGSA-N	245.410	4.649	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Nc1ccccc1C(C)(C)C	86672739	ZGWZQOJAXAJHJR-OCCSQVGLSA-N	231.383	4.585	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccccc2C)CC1	86894097	KPPWAYRAOOWTLL-CABCVRRESA-N	231.383	4.766	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](N[C@@H](C)c2ccco2)CC1	86939323	SHXOAGWOUCSOAA-KKUMJFAQSA-N	249.398	4.535	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)[C@@H](C)CC	87399034	USXINQUXBJRAIE-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@@H](NCCC(C)(C)C)c1ccccc1	104146752	GYNWJWQLFILCSP-MRXNPFEDSA-N	247.426	4.800	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1c(C)oc2ccccc12	123753565	HDYJETYOTULZRK-FZMZJTMJSA-N	246.350	4.601	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@H]1C=CCCC1	123773378	GKZUGFPSOJPVNU-HNNXBMFYSA-N	230.351	4.606	0	10	BJAE	
CCCCCC[C@@H]1CCCCC[C@H]1CNCC	130766206	VIARZNPTRSSFPC-CVEARBPZSA-N	239.447	4.763	0	10	BJAE	
CC(C)C[C@@H]1CCCCC[C@H]1CNC(C)(C)C	131058418	QWALQSPZVRESLI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC1CCCCC1)NCCC	159564133	LRDZLUZMANSGEB-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1CCCCC1)NC	161016106	NLZZTUWVDRTCNK-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@](C)(CCCC(C)C)CNC(C)(C)C	166082465	DZFPHUXIBGMFAK-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](NCCCC1=CCCCC1)c1ccccc1	207980891	XKZZYVJSADHNOZ-OAHLLOKOSA-N	243.394	4.618	0	10	BJAE	
CCCC[C@H](CC)COc1c(C)cccc1C	213632141	AAKFPYSQCKNLLR-HNNXBMFYSA-N	234.383	4.899	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1CCC[C@@H](C)[C@@H]1C	219093384	MSSALMJFFXFOET-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCCCCc1ccccc1	222129523	SAPUYHIRJMVVPA-UHFFFAOYSA-N	202.341	4.756	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](CCC)CCCC	225995978	NQVUTQTUZUKRMS-CABCVRRESA-N	227.436	4.904	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](N)CC1CCCCC1	226821980	PTMIDMPRMAIZQL-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](C)N[C@H]2CC[C@@H](C)C2)cc1	227192952	SEYNTMWUGLFFLZ-CPUCHLNUSA-N	245.410	4.649	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1ccc(C)s1	228743154	BEORJDNPCHWMPZ-QWHCGFSZSA-N	239.428	4.663	0	10	BJAE	
CCCN[C@@H](c1cc(C)cc(C)c1)C(C)(C)CC	229499817	NSJWGERSQIEUMF-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCCCC[C@H]1C[C@@H](C)Nc2ccccc21	232983159	XKFKKRWCNUGKKG-OLZOCXBDSA-N	217.356	4.555	0	10	BJAE	
FC(F)c1ccc(Cl)c(Cl)c1Cl	238698762	RVALYEABAGPNFT-UHFFFAOYSA-N	231.456	4.584	0	10	BJAE	
CNc1cccc(Sc2cccc(Cl)c2)c1	259237609	NPRBFNFUMBEHRX-UHFFFAOYSA-N	249.766	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H](C3CC3)C2)CC1	300585205	XVQAJTQRRZBLFZ-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccc(C)c(Cl)c1	300856111	BUXODMJNOFMRAS-FZMZJTMJSA-N	240.774	4.508	0	10	BJAE	
Cc1cc([C@@H](O)CCCC(C)(C)C)c(C)s1	300950178	XDVQOMUPMBXNLJ-ZDUSSCGKSA-N	240.412	4.615	0	10	BJAE	
CCNCC1(CCC2CCCC2)CCCCC1	302243596	GTMSXSDSWVXKJR-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CNC[C@H](CCCC(C)(C)C)c1cccc(C)c1	302368969	YUCBIOBCCFGHNV-INIZCTEOSA-N	247.426	4.514	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@H](C)CC(C)C	305905602	COEAAUJZWRXLKM-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1/C=C/CCCCC1	306041890	UGSPPDFMJDFEKJ-ROCUKZSVSA-N	237.431	4.824	0	10	BJAE	
Cc1ccc2sc(Cl)c(C(F)F)c2c1	306699136	ICLINIJCIBVTPD-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CSc1cc(Cl)c(Cl)c2sccc12	306766979	BWMQBDOXHDYNQF-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
Fc1ccc2sc(Cl)cc2c1C(F)F	307451187	RPXIDTLHYYZFFU-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCc1cccc([C@H](NC)[C@@H](CC)CC(C)C)c1	308078948	YDBOCWGMOOHOFS-DOTOQJQBSA-N	247.426	4.582	0	10	BJAE	
CC[C@H](CC(C)C)c1nc2c([nH]1)CC[C@@H](C)[C@@H]2C	308089801	OVUPLBGJLZLYRO-FRRDWIJNSA-N	248.414	4.635	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C1CCCCCC1	309654503	UZFFOPAQSBKVRV-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1CCC(C)(C)CC1	310542725	TZRNUJJDSHAZRP-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CC1CCC(C)CC1)C(C)(C)C	310547900	VOFKEFPDFOMAKS-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCC[C@@H]2C(C)C)c1F	310672951	OIDXPNHOFMSZKC-ZIAGYGMSSA-N	249.373	4.761	0	10	BJAE	
CCC[C@H](Nc1ccc2ccccc2c1)C1CC1	310731831	WURSZSFJWKBSNZ-KRWDZBQOSA-N	239.362	4.830	0	10	BJAE	
CCC1(C[C@@](C)(CC)CNCC(C)C)CCC1	317875183	GDHCSSNXXYZQTH-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C(=O)[C@@H](C)C(C)C)c1ccccc1	320081531	XSPLLWSBIKKYEP-DZKIICNBSA-N	246.394	4.678	0	10	BJAE	
CC[C@H](C)C[C@H](C)NC[C@H](C)C1CCCCC1	380039581	RKWRUESTOGURIO-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1ccccc1C(C)C	380053925	MQSLJCFHUCIJEC-OAHLLOKOSA-N	233.399	4.507	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCC23CCCC3)cc1	381037834	LULXMNMQEPWENM-MRXNPFEDSA-N	243.394	4.910	0	10	BJAE	
CC(C)C[C@@H](CCCC(C)(C)C)CNC1CC1	382667934	XTYXWBJFACHDMM-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1CCC(C)CC1	383685429	PQLODEHEWCUEKS-UYSNPLJNSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H]1CCCC[C@H]1C	384585062	YBJQLNOODDUKMY-QXSJWSMHSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)c1cccs1	384843024	JIBYMFGXHILTJN-AWEZNQCLSA-N	249.423	4.679	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H](C)c1ccccc1	385093317	GMTCYVXPXDQZOB-YOEHRIQHSA-N	247.426	4.724	0	10	BJAE	
CC[C@H](N[C@@H](C)CCC(C)(C)C)c1ccco1	386322791	YOLZCEGOZMZRAK-STQMWFEESA-N	237.387	4.535	0	10	BJAE	
CC[C@H](Nc1ccc(Cl)cc1)C1CCCC1	387628730	DUQFEIWFPGYEMQ-AWEZNQCLSA-N	237.774	4.721	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1C[C@@H]1CC(C)C	388265559	VICXZRDBWUGKBZ-LSDHHAIUSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H]1CC[C@](C)(CCCCCC(C)C)C1	394811237	KKOVYWSWTIYHPK-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
Cc1cscc1N[C@@H](C)[C@@H]1CC2CCC1CC2	395690979	GJHQDSZNPLLXBZ-ABXWRUBCSA-N	249.423	4.683	0	10	BJAE	
CCOc1c(Cl)c(CC)cc2sccc12	396190863	OJGSPYHKDSUEMC-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1ccc2c(C(F)(F)F)csc2c1C	396296099	DJOYLACAYAMGMQ-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCc1ccccc1C(=O)[C@H](C)C(C)(C)C	399340923	ZSRUERBRBCBCLL-LBPRGKRZSA-N	232.367	4.504	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C1CC1)[C@@H](C)CCC	405729459	LJAJSITYMVKMCP-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCC(C)(C)CC	686312736	WSKAEYADDHPUHV-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@H](CNC1CCC2(CC1)CC2)C1CCCCC1	695689261	KVUZEMOKRDIWDT-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CCCCCC(C)C	696186189	JWYMIBHTCRRMGI-AWEZNQCLSA-N	227.436	4.747	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)CC1CCCCC1	696635571	SFOWIWYSWFOEOW-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C(C)(C)CC	697777020	DOJLTWHJBUUENW-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCN[C@@H](CCC(C)(CC)CC)c1ccccc1	701164608	DJLLGBLVVLRNDR-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@@H]1CCC[C@@H](C)C1	704907372	HQXQAXYNOPWQGS-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc2c1ccn2[C@H]1CCCC[C@@H]1C	704952806	JBZWETLTMAJNMH-ZFWWWQNUSA-N	227.351	4.701	0	10	BJAE	
C[C@@H]1C[C@@H]1/C=C(\CNC(C)(C)C)C1CCCCC1	705264347	FCIJJFDIRSVNSI-ZTUFEDMWSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC([C@@]2(N)CCC23CCCCC3)CC1	705264394	GHZYDJIXTDBSQD-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@@H](C)NCC[C@@H]1CC=CCC1	706961161	QBBMPRFHGUVTHU-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC[C@@]2(C)C[C@@H]2C)cc1	707708810	FWDPEJGIDTWJTD-GRDNDAEWSA-N	245.410	4.507	0	10	BJAE	
C[C@@H](C[C@@H]1CCCCN1)C[C@@H](C)CC(C)(C)C	709097381	QSBMZABWICQYHH-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)CNC[C@@H](C)CC(C)(C)C	709245441	FETNBQKQGICJOU-AWEZNQCLSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@@](CC)(C[C@@H](C)C(C)(C)C)C(=O)O	710701041	SGHMOLGUDWCKDN-DOMZBBRYSA-N	242.403	4.730	0	10	BJAE	
CCC[C@H](Nc1csc(C)c1)[C@H]1CC1(C)C	710754817	IWTAQTMQLVASNM-OLZOCXBDSA-N	237.412	4.683	0	10	BJAE	
CC(C)[C@@]1(C[C@H](C)C(C)(C)C)CCCCCN1	710766274	MWXXGQKCKPFABU-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C1CCCC(CCN[C@@H]2C[C@@H]3CCCC[C@@H]32)CC1	712495759	RWEVQFSVRMQXNU-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@H]1CC12CCCCC2	713040046	WUJDZOOVJPCOPI-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@H]2C[C@@H]2C2CC2)C1	714805203	NBNMNTVRUWGURT-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCCC(C)(C)C	720939970	JSVABFZQEGRHHC-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cccc(C2CCC2)c1	721693862	ZOMFPAZMNXKJOU-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)CC(C)(C)C	1205889219	BMQVGKHJCADJSQ-KGLIPLIRSA-N	225.420	4.536	0	10	BJAE	
CCC1(CC)CCN(C[C@H](C)CC(C)(C)C)C1	1615861482	HWWUGFQPEFCNNU-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
C1=CCC(CN2CCCCC23CCCCCC3)C1	1655900535	XNYBZZGOPPHWJJ-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
C[C@@H]1CC[C@@H](SCc2ccccc2Cl)C1	1656451586	DZPOVXQCGMFQFN-ZYHUDNBSSA-N	240.799	4.762	0	10	BJAE	
CCC[C@H](C)CCNC(CC(C)C)CC(C)C	1665555756	HYYIEMZZXQNDIF-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CCC(C)=CCc1cccc(C(F)(F)F)c1	1900898762	SANSYLSSJHKRED-UHFFFAOYSA-N	228.257	4.604	0	10	BJAE	
O=C(CCCC1=CCCCC1)c1ccsc1	1901971783	MSCKOYUUPLWOMK-UHFFFAOYSA-N	234.364	4.602	0	10	BJAE	
CCc1cscc1N[C@@H](C)[C@H]1CCC1(C)C	1902376169	FCXZYDWAESHOJU-CMPLNLGQSA-N	237.412	4.547	0	10	BJAE	
C=CC=CCCN[C@H]1CCC[C@H](C(C)(C)C)CC1	1912070449	SRHUHPATIFNKFT-HOTGVXAUSA-N	249.442	4.703	0	10	BJAE	
N[C@H](CCCC1CCC1)C1CC2(CCCCC2)C1	1912618213	NNPOXCNDLWOEKG-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CNCC[C@@]12CCC1(CCCCC1)C2	1915925138	RGOKSMYCUKLUES-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1CCCCC1(F)F	1919489972	DHFBDNWDLCWLAK-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCCc1ccc([C@](C)(O)C[C@H](C)CCC)cc1	1920027976	KNMVNGCKTUYGTG-RHSMWYFYSA-N	248.410	4.673	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@H]1C[C@H]2CC[C@H]1C2	1920182306	IUNYXJHBTFDXBB-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc([C@](C)(N)[C@H](C)CCC(C)C)c(C)c1	1920494517	UEBLLZBHJOTDNJ-NVXWUHKLSA-N	247.426	4.550	0	10	BJAE	
CCCC1CC([C@H](CC2CCC=CCC2)NC)C1	1921302060	LHSQHLNTHGHIJP-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@]1(CCCC2CC2)CCCC12CCC2	1921644500	NWIQTCONLYYFMD-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H](CCCC(C)C)[C@H](C)C1CCCCC1	1924074307	CWALIUQAQWRUNM-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
Fc1ccccc1CC[C@H]1C=CCCCC1	1925813538	AUQRLPJXZPZMNW-ZDUSSCGKSA-N	218.315	4.505	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2C[C@@H]3CCC[C@@H]32)n1	1936500558	PIMKNAOVVLQBQW-FIQHERPVSA-N	235.396	4.560	0	10	BJAE	
CCCC[C@@](CC)(CN)[C@H](C)CCC(C)C	1937168414	IETIFWRCUOGIFX-CABCVRRESA-N	227.436	4.604	0	10	BJAE	
CCc1cscc1C(=O)[C@@H](C)CCC(C)C	1938820551	TVFUIUWQGDCPOP-NSHDSACASA-N	238.396	4.566	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](CCCC)NC	1939119960	YDQMYSCDPLJKPH-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@@H]2CCC[C@H]2C)CC1	1940168044	PYFYJUQJZJZUJW-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](C)N[C@@H](C)CC(C)(C)C	1940252165	IBOAPGYOLSKBFB-UONOGXRCSA-N	241.463	4.717	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CC1(C)CCCCC1	1940411633	XOSCUSDFNCBVOC-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCCCCNCC(C)(C)C1CCCCC1	1940762972	NLMMLJWVMZLTEH-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](O)CC1CCCCC1	1940876061	ZLECITIJTJSTLM-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]3CC[C@@H]32)cc(C)c1Cl	1941018915	HMNOOJGHUUARBQ-FPMFFAJLSA-N	249.785	4.557	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H]3CC[C@@H]32)cc(C)c1Cl	1941018917	HMNOOJGHUUARBQ-KWCYVHTRSA-N	249.785	4.557	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CCC(C)(C)C1CC1	1941248019	KIARBEQRMBPNPX-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](C)[C@@H](C)CNC(C)(C)C	1942665614	ZHHJQBAJFHTLRK-KKUMJFAQSA-N	241.463	4.719	0	10	BJAE	
CC(C)=C(C)CCC1(O)CCC2(CCC2)CC1	1944602674	TXXXVWMGKMWQGW-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC1(NCC2CCC(C)(C)CC2)CCC1	1945282543	LHLCEFSEWMNASS-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CSc1cccc(N[C@H]2CCC[C@@H]2C(C)C)c1	1947463292	DSABBIFJFKAQOE-CABCVRRESA-N	249.423	4.645	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@@H](CC)CC(F)F	1948851189	YIGXUIDVRITWFU-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@H](C)CC(C)C	1948981475	TZYNPBUEQLFUMR-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCC[C@H](N)CC12CCC(CC1)C2	1950897819	ZFBUFBIRCAZBNE-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCCC2CCC2)CC1	1950924139	JZQDBLUGIUUCBC-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CCCC[C@@H]3C2)CC1	1966046943	YOBLBDFLTDXECE-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(N[C@H]2CCC[C@@H]2C2CC2)CC1	1966049092	RIQXUKBYYHZBGD-BNICSPFPSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(NC2C[C@H]3CCCCC[C@@H]3C2)CC1	1966074211	PXHHMAVENPZFCZ-LVDPKSTMSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@@H]2CCCC[C@@H]2C1)C1CCC1	1967696983	QBSHUYVBTZOUMQ-YVSFHVDLSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(NCC2CC(C(C)(C)C)C2)c1	1968229128	CHDKDVCIDXDBSX-UHFFFAOYSA-N	245.410	4.788	0	10	BJAE	
CCC[C@@H](NC[C@@H](CC)C(C)C)c1ccccc1	1973383196	CVZCNUOAZPIMSI-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCCC1CC2(CCC2)C1	1973744215	NRVZVCQXROPSDU-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)N[C@@H](C)C12CCC(CC1)C2	1973849876	SNWIFZWYHHXVFE-HLIUYOAVSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@H]1CCC[C@H]1C	1978450687	UQLHGKFDZXDDFU-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)C)C(CC)(CC)CC	1978563919	PBNOOXDWIWJZJN-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)CC(C)=CCl	1978639439	PZZPZGYOKNITDM-AWEZNQCLSA-N	245.838	4.714	0	10	BJAE	
CC(C)=CCC(=O)C(C)(C)C1CCCCC1	1980966512	IYIANALGWJTTBW-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(Cl)nc1	1990097773	JNESNEKPKVNGHM-LLVKDONJSA-N	240.778	4.506	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1CC[C@@H](C)C1)NCC	1996248693	XPVWVEOAFFFUPO-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H]1CCC[C@H](C)C1)NC	1996612707	ZVDPTTFRVIMWKI-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC1CC(C(C)(C)C)C1	1998239746	KAXZVEGKVJGFRO-PPWQZUPISA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1C=CCCC1)C1CCCCC1	1998381558	XPUZKNNPKHESLN-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
Cc1cccc(OC[C@H]2CCC=CCCC2)c1	1999985572	KQFKUSNIRBOFQC-HNNXBMFYSA-N	230.351	4.510	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CC2CCCCC2)C1	2000190036	HMYQHKJIPXPVFX-IUODEOHRSA-N	234.383	4.518	0	10	BJAE	
CCCC1(C(=O)c2sccc2C2CC2)CCC1	2000196296	GSXZJDMKMHVHEM-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CCCCN(CC1(C)CCCCC1)[C@H](C)CC	2000901304	XRKHTKZBNQZQPC-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(O)C[C@@H](C)C(C)(C)C)C1	2003015367	DIEQQVJFSZZAAF-HGTKMLMNSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H]1CCCCCCCC1=O	2003073727	IRPSAJXYLZVQIQ-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCCCCCC[C@H]1O	2003115362	AGJDGXYCQUQYFG-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CC[C@H]([C@H]2CCCCCCC[C@@H]2O)C1	2003115926	FPDARILHYCBODJ-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@](C)(N)C[C@@H]1CCCC2(CC2)C1	2003221440	OYRKQQPPAYXGHM-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@]1(C)C=CCC1	2003328900	HAYFJCCXIHKLDR-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CC[C@]1(O)CCC[C@@H](C(C)(C)C)CC1	2004226900	JUTHGEIRNLINKZ-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCC1(CC)CCC([C@H](CC(C)C)NC)CC1	2004337811	WEWHSWBKQORQGA-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](CCC(C)(C)CC)[C@@H]1C	2006981740	QZXSWSHNYVGDGP-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1c(C[C@H]2C=CCCCC2)ccc(F)c1F	2007165509	CUGJNVWKCGXCIS-LBPRGKRZSA-N	236.305	4.562	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1CCC[C@@H]1C(C)C	2007622574	MYAMHYQTTLIWGW-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](CC(=O)CC1CC(=C2CC2)C1)C(C)(C)C	2011075614	QFJGYKPYDDFZHA-NSHDSACASA-N	234.383	4.518	0	10	BJAE	
CC=CCCCN[C@H]1CCCCC[C@H]1C(C)C	2011444532	TUXLGOBOCMANRT-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C[C@H](CCC2CCCCC2)C[C@@H](O)C1	2012049214	BRYHUEQTXMNDGT-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](NC)c1sc2ccccc2c1C	2014290911	JJKVSQYRLHOXNI-CYBMUJFWSA-N	247.407	4.660	0	10	BJAE	
c1cc(N[C@@H]2CC[C@@H]2C2CC2)c2sccc2c1	2017041246	AAMGFWUKAAPBHG-CHWSQXEVSA-N	243.375	4.502	0	10	BJAE	
CC(C)C1(CN(C)[C@H](C)CC(C)(C)C)CCC1	2017125384	MHTDSLUHFUVZQC-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
CCN[C@@H](CC1CCC(CC)CC1)[C@@H](C)CC	2017730065	CNCCCMUBAYYCPY-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CC[C@H]2C[C@H]2CC1	2018132907	YFKYEAUYEKNGDP-QXSJWSMHSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@H](C)C(C)(C)C)CC1	2018996158	SMLUGAUKPBDHIT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)CC1(CCC)CC1	2018997719	ZCPKVTYHPZKWLT-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CC(=O)CC1CCCCC1	2022557005	KLRVWHDXCXYJAA-ZFWWWQNUSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2CCC=CCCC2)C1=O	2023994826	WOSXKAGXLALOIL-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CC1(C)CCC1)NC	2026163334	JXQGDQJMGSOWEW-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)c1	2027793710	ORQBPDOISJGQKZ-DPAVQSFQSA-N	245.410	4.786	0	10	BJAE	
CC(=C1CCC(C(C)(C)C)CC1)C1CCNCC1	2028115489	PYMDHUFLMHJVMP-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cccc(C2(C)CC2)c1	2028561019	WJEDCMFYJNREFP-ZDUSSCGKSA-N	244.378	4.747	0	10	BJAE	
CCCN[C@H]1CC[C@](C)(CC2CCC=CCC2)C1	2028871359	ZPXLUIQKOGPFJG-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1cc2ccccc2o1	2029826621	UTPRQYGXLWMRNX-GFCCVEGCSA-N	244.334	4.688	0	10	BJAE	
C[C@H](Nc1ccc(C2(C)CC2)cc1)c1ccco1	2032242384	GTIWWMAMDLBUQW-LBPRGKRZSA-N	241.334	4.504	0	10	BJAE	
CC[C@H](Nc1ccc(C2(C)CC2)cc1)[C@@H]1C[C@H]1C	2032243465	VPRPVCROANMFSQ-WQVCFCJDSA-N	243.394	4.585	0	10	BJAE	
CC1(c2cccc(NC[C@]3(C)CC3(C)C)c2)CC1	2032248085	VHORVOVOUGLNBE-KRWDZBQOSA-N	243.394	4.586	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@H]1CCC[C@H]1C	2032506639	PTLHXCWJOSOGIX-CKEIUWERSA-N	245.410	4.636	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)c1ccc(C)cc1C	2037167815	ADVKIRVRYVSEBO-QGZVFWFLSA-N	245.410	4.614	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@@H]1C=CCCCC1	2037271753	KBSOZESXBCEYAY-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CN([C@@H]1CCC(C)(C)C1)[C@@H]1CCC2(CCCC2)C1	2037671205	BWDXRMWSHOSSFC-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CCc1ccc(O[C@@H]2CCC3(CCCC3)C2)cc1	2037681328	FITNIJWNLWWUGE-MRXNPFEDSA-N	244.378	4.741	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CC[C@@H](C)C2)CC=CCC1	2040170832	AAIUQDLTXOVJHS-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
O[C@]1(CC2CC=CC2)CCCC2(CCCCC2)C1	2040763107	LXHBYHOQDQXTTI-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CCC1(CNCC(C)C)CC=CC1	2042095891	GLVWPCGTOVBDOM-UHFFFAOYSA-N	249.442	4.705	0	10	BJAE	
NC1(C[C@H]2CCC=CCCC2)CCCCCCC1	2045320149	KLJJETUJDFLYHK-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
N[C@@H](CC[C@@H]1CCC=CCCC1)c1ccccc1	2045332006	KVIXMIMEADOEEF-WBVHZDCISA-N	243.394	4.603	0	10	BJAE	
C[C@H]1C[C@@H]1c1ccc(C(=O)CCC2CCCC2)o1	2045561004	CCIPVNNQYISLEL-AAEUAGOBSA-N	246.350	4.556	0	10	BJAE	
CN[C@@H](C[C@@H]1CC12CCCC2)C1(C)CCCCC1	2047020145	NRIFTHQLZZTWMD-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CNC[C@@]2(C)CC=CCC2)CC1	2047726828	RCNWVLGNFZIGLM-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)c1C	2049538147	XBOKJOJJPPCDHF-DAXOMENPSA-N	245.410	4.930	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)[C@@]12C=C[C@@H](CC1)C2	2049997998	RVSQVQXZILGKPP-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)[C@]1(C)C=CCC1	2050006534	NTXKHLULWVHSOJ-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H](N)c2ccccc2C)C1	2050461589	XEGGNMZRANTENF-HLLBOEOZSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C1(C2CCC2)CC1	2051919120	WDJFUQCWJOJFAY-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C[C@H]1CC12CC2)C1(C)CCCCCCC1	2052479864	LKNRJOXKNZNWJF-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCCCC12CC2	2053306096	MMBMJJRFIOBVHG-HNNXBMFYSA-N	243.394	4.692	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)[C@@H]2CCCCC23CC3)C1	2053420833	NIOMZEYDUBXKJT-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](c2cccc(C(C)C)c2)C1	2055127940	IYICOQPSTXMRPO-BBRMVZONSA-N	244.378	4.673	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2C=CCCC2(C)C)CC1	2055533718	WMZNWWIWJQTKIJ-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
CC(C)CCC1(CNC2CC2)CCC2(CC2)CC1	2056522556	SKKUIGAETXTQQA-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](N2CC[C@@]23CCC(C)(C)C3)C1	2058199540	LGFRIBWSIBPKMS-WMLDXEAASA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CC=C([C@H](NC)C2CCCCCC2)CC1	2061097412	BQNCHRHKNDAVDT-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C(C[C@H](O)c2ccc(C)cc2)CC1	2061097747	DUWIJNCZXDCIHM-YOEHRIQHSA-N	244.378	4.555	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)C2(C)C(C)(C)C2(C)C)CC1	2061137937	QPLBSWJKHQDVEZ-TZMCWYRMSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)[C@H](C)C2CCCC2)CC1	2061140578	ONMWSSZQCRVRIG-CKEIUWERSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1CC(=C2CC2)C1)NCC	2061726062	LYXCUIIUPDHKGG-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063417855	IFVVKQKBPBZGCP-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](NCCC1(C)CCCC1)c1occc1C	2063679502	ZXJNGLNMZGPIFM-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CC(C)(C)C1CC([C@H]2CC(=O)CC3(CCC3)C2)C1	2063712475	DHIPNUAWQVCUJE-MOKVOYLWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@H]1CCC1(C)C	2068229795	KAQBFSFAPXARME-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1(CC2CC2)CCC1	2069503022	DCXCASGORWBNMD-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CCC1CCCC1)C1(CC2CCC2)CC1	2069563394	GAZHIBJJTCJFIP-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1CC2(C1)CC2(C)C	2070408512	PJNPVWUPBBUTNW-HPUBIQBYSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(C[C@@H]2CCC(C)=C[C@H]2N)CC1	2072806615	NNCGYKPHWFADSL-SJJHQCBESA-N	249.442	4.667	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2CC3CC2C3)CC1	2072876565	BMHXBGAKOHEATB-QIWHZVNUSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)N(C)Cc1ccc(CC)cc1	2074922450	QCSZUHGHTKPHSR-QGZVFWFLSA-N	247.426	4.650	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1CC[C@@H]2C[C@H]2CC1	2077197215	YDMFRMJGVBQGCB-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H]2CCC3(CC3)C2)CC1	2078334770	NOJYEPHPHBGUAJ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](O)c1ccc(C(C)C)cc1	2079555325	UUOZWYALICMBMP-BRWVUGGUSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@H]2CCC3(CC3)C2)C1	2082981459	DENOGWMTBMKKRV-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@H]([C@H](O)c1cccc(C(C)(C)C)c1)C(C)(C)C	2083541005	GECIPHKVGZGCTF-DOMZBBRYSA-N	248.410	4.700	0	10	BJAE	
CCC[C@@H](CN[C@H](C)CC)CC(CC)CC	2212595181	BMWZOVPYIYJFEJ-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CCC[C@@H]1C	2212632062	YXNLCVBITSTEMO-GWCFXTLKSA-N	237.774	4.503	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)CCC1CCC1	2213573329	GNTOMVLWKCNRJI-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC1CC([C@](C)(N)CCCCCCC2CC2)C1	2213576530	QSLQZVIGWIOVHF-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@@H]1CCCCCCC1CC1	2213577661	DRCJJXUFFYQAEN-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(Cl)cc1C/C=C/c1ccccc1	2213821920	GQEIEEIDHRGVIG-VMPITWQZSA-N	242.749	4.904	0	10	BJAE	
CCCC[C@@](CC)(CCCCC1CC1)CNC	2214571439	YCJAMMRKDIVOJG-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](O)(C2CCCCC2)C1	2216254088	XBZKEBZGHZNELW-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
N[C@H](CCCCC1CC1)c1ccccc1C1CC1	2220030984	QTGQCNNOXFNGDU-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
C[C@H]1C[C@@H](n2ccc3cccc(F)c32)CC[C@H]1C	2220310948	ODFOCXAPWXTMNX-DYEKYZERSA-N	245.341	4.778	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2CCc3ccccc3N2)C1	2221033499	LWEDFWNKXNIDCY-AWEZNQCLSA-N	243.394	4.630	0	10	BJAE	
CC[C@H](NC[C@]1(C)CC=C(C)CC1)[C@@H]1CC1(C)C	2221643083	LYYNMEBPRMLQPB-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](c1c(C)cccc1C)[C@@H](C)CC(C)(C)C	2222009560	SEVVSDDKYNPMIX-GOEBONIOSA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NC[C@@H]2C=CCCC2)C1	2222266111	KQGLMYOMJANPKK-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@H]1C[C@H]1C1CC1	2223130896	SANGISMBBKGBNY-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CCCC2)CC12CCCC2	2223540991	DUQLBKIGQXPZNR-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)NCC1(C2CC2)CC2(CCCCC2)C1	2223542173	OMFLPXNSQCXPDL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCCCc1cc(OC)ccc1Cl	2243757391	QMHXVDSRHYGGBU-ONEGZZNKSA-N	238.758	4.638	0	10	BJAE	
CCCC[C@](C)(N)CCCCC[C@H]1C[C@@H]1C	2243907600	JDRDGJLKLIKMJL-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@@](C)(N)C1CCCC1	2248856075	VANARBMVLMOMMK-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@H](O)C1CC(CC(C)(C)C)C1	2251542786	PGKXHYKBXZMBOS-NRXISQOPSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@@H](C)C[C@]1(O)CC(C)(C)CCC1(C)C	2251673818	KLCOAKSYGXQXGC-BBRMVZONSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCn1ccc2c(F)cccc21	2254534046	ASUCSJGAIPIZDS-CHWSQXEVSA-N	245.341	4.607	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2CCC23CCC3)CC1	2255021549	DBFRMAMZJRARJH-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H]1C[C@@H]1C(C)(C)C	2255135723	CWFAJQUEHVFZPI-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)CC[C@@H]1CCCC12CC2	2255225805	LSXOLSZQXJMBGQ-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC[C@](C)(CC[C@H]1CCCC12CC2)CNC1CC1	2255259066	MOEBJFAWVLWLEU-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CC(=O)C[C@H]2CCCC23CC3)CCC1	2255337221	IYGFDJFPWUZHLJ-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCCCC[C@H]1C[C@H]1C	2257288445	HFEXXXRHEMHZRX-VYDXJSESSA-N	245.410	4.601	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@@H](C)c1ccc(N)cc1	2257340965	PJUPSARBYCMLPB-YCPHGPKFSA-N	245.410	4.979	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@]23CCCC[C@H]2CC3)CC1	2260570092	OKWUSFQEQHIWMH-HOCLYGCPSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@]1(C[C@@]23CCCC[C@H]2CC3)CCCN1	2260582864	LQSLBLNPJFVUME-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CCC1)[C@H]1CCC(C)(C)CCC1=O	2298932343	HYTNWPPTHIODJS-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CC=CCCCNc1cc(C(C)C)ccc1C	2300459011	MEVXNXNJRFXXFU-UHFFFAOYSA-N	231.383	4.887	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCC[C@@H]1CC1(C)C	2300506075	UJWLAIDAPPZHSH-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCC(C)=CC[C@H](O)[C@H]1CCCC(C)(C)CC1	2300877152	OAYPKYKHWWNSSD-GJZGRUSLSA-N	238.415	4.700	0	10	BJAE	
CN[C@@H](C)C[C@H](C)CC=C(C)CCCC(C)C	2300881251	RFOACCJEHXINKD-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC[C@](N)(CC1CCCCCC1)[C@H]1CC1(C)C	2301144390	DAJIBSLTRHKTJC-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)CCC1CCC1	2302358823	KMOPTMNTVGIJMR-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@@H](C[C@H]1CCC(C)(C)C1)NC	2302898462	GYVVKIMSGPYWJX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@]1(C[C@H]2CCC(C)(C)C2)CCCN1	2302906015	SZKRWBMILRAZGU-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@H]1CC[C@@H]1C(C)(C)C	2303512184	SSLRIJKUSQBACX-LJISPDSOSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CCC(C)=C(C)C1	2303603689	VQBOCSQHGFEWIS-CVEARBPZSA-N	237.431	4.680	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](CC1CC1)C1CC1	2303738125	MVFJEAVYPAVMTF-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@@H]1CNC(C)(C)C	2307826858	RGRJHBDYPRYEKT-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)C1(CCC)CC1	2307902420	LDGNUXNMNSHXNS-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C1CCCCC(N[C@H]2C[C@H]3CCCC[C@@H]23)CCC1	2309405882	KGKUMBSSQLLBSD-OIISXLGYSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]2C2CCCCC2)CC1	2311537918	WTDPSUSYXKTLKW-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@]1(C[C@@H]2C[C@H]2C2CCCCC2)CCCN1	2311565719	VLYZSWRXUBRWAC-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)C[C@@]12CCC[C@@H]1CC2	2313321688	SHJSRLPMTRLAGE-AIANPOQGSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313346329	JUUGGJVLJFNAQC-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@](C)(O)c1ccc(C)cc1C	2316252973	QQDKTKDZPRJGHU-QGZVFWFLSA-N	248.410	4.727	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)[C@@]12CCC[C@@H]1C2	2316874731	SNTLJQJUGHGDIJ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C1(C2CCC2)CC1	2316875986	ROIMNKDOEHRQHZ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(C1)CC(N)(CC1CCCCCC1)C2	2316886421	QWUKKCSAWJYWTE-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@H](C)[C@H](C)C(C)C)c(C)c1	2317828636	SZQGRZFTTDSIPE-BFYDXBDKSA-N	248.410	4.573	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@H]2CCC(C)(C)C2)c(C)c1	2319084215	ZPWUOQKNSBXVDC-ZBFHGGJFSA-N	246.394	4.553	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CCC(C)(C)C2)CC1	2320419060	GMNCIDQHQLOXCD-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)c1cccc(C2CCC2)c1	2320656037	YFVGXBZZPIJOFH-SJKOYZFVSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H](CC1CC1)C1CC1	2320703774	VPOGPRDAHBOGLH-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@H]2CCC[C@@H]2C)c1	2327674809	DLLXOAZFSZXHJN-JLJPHGGASA-N	246.394	4.588	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@@H](C)C(C)(C)C)c1	2327704055	QHWZJKCBWWXTRN-CZUORRHYSA-N	247.426	4.800	0	10	BJAE	
CC[C@H]1CCC[C@]1(O)c1cc(C)ccc1C(C)C	2327709213	XIJWWKFGFXVKEU-WMLDXEAASA-N	246.394	4.516	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2C[C@@H](C)C[C@H](C)N2)c1	2327780313	BKONTIMRUACIPS-ZQIUZPCESA-N	245.410	4.568	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)[C@H](C)CC(C)C)c1	2327788414	DUUFUKHLVDQFAQ-RHSMWYFYSA-N	247.426	4.800	0	10	BJAE	
COCCCCCc1ccc(C2CCCC2)cc1	2327793657	WESBHXBIGRQCNR-UHFFFAOYSA-N	246.394	4.703	0	10	BJAE	
CCC[C@@H](CC)C[C@](N)(CC)Cc1ccccc1	2328191811	YOYJHPGBPSNHCJ-NVXWUHKLSA-N	247.426	4.553	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)c1ccc(CC)cc1	2328212375	GUNUHUHDPZJRHM-WBVHZDCISA-N	248.410	4.673	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C[C@@H](CC)CCC	2328273137	IBAFVJMPTIVOEY-YOEHRIQHSA-N	248.410	4.889	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1F	21507741	USSGVAHMMFDHNN-SMDDNHRTSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)c1ccccc1	35540484	FDZBHWGTJBFUAX-GOEBONIOSA-N	233.399	4.554	0	10	BJAE	
CCCCC[C@H](NCC1CCC1)c1ccccc1	37253754	WPLHGXJHLQOPTE-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
Cc1ccc(-c2ccc(C(C)(C)C)cc2)cc1O	65340454	GFJYJIDQFMKBHA-UHFFFAOYSA-N	240.346	4.665	0	10	BJAE	
Cc1ccccc1N[C@H](C)c1sccc1C	69635952	PCTQEAWYJQFELE-GFCCVEGCSA-N	231.364	4.538	0	10	BJAE	
CC[C@@H](CC1CC1)NC(CC(C)C)CC(C)C	70105396	XEVUPGHKYIJELF-HNNXBMFYSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)c2ccc(C)c(C)c2)C1	71153903	IDMDVOYUMUOARC-VYDXJSESSA-N	246.394	4.553	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccccc2C(C)(C)C)C1	80432661	LKEGQOXKBFDLDD-UONOGXRCSA-N	245.410	4.975	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C1CCC(CC)CC1	85083060	KKGKFGHUUVBRMP-QRNKSROTSA-N	239.447	4.617	0	10	BJAE	
CCCCCCC(=O)c1c[nH]c2ccc(C)cc12	97467771	GAOSHVGLTROOAI-UHFFFAOYSA-N	243.350	4.629	0	10	BJAE	
CCCCCC[C@H](NCC)c1ccc(C)cc1C	97468384	YLXSWEOKSRGRBF-KRWDZBQOSA-N	247.426	4.924	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc(OC)c(C)c1	103988929	RVQIPFKFOIOAQX-OCCSQVGLSA-N	249.398	4.630	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)c1ccc(C)cc1C	109902392	PYFQLXKDMYOQOF-GJZGRUSLSA-N	233.399	4.533	0	10	BJAE	
CCCCC[C@H]1C[C@@H](CC)CC[C@@H]1NCCC	110462306	XZDUFPQDYZOHSH-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccc(C)c(Cl)c1	124244410	SZFGDHONHJPMCR-AWEZNQCLSA-N	240.774	4.508	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)c1sccc1C	126010507	PAIHHCAKMJUFGL-WCQYABFASA-N	239.428	4.533	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccccc2)c2ccccc21	136951333	RVXGISHRUPBKLF-DYVFJYSZSA-N	237.346	4.737	0	10	BJAE	
CC1([C@@H](O)c2cccc(C3CCC3)c2)CCCC1	160200670	DECICLYHKFAWLO-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CC(C)NCC1(C2=CCCCC2)CCCCCC1	161454046	CQGNVPFVALNNEN-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)(C)C)c1cccc(C)c1C	163530317	ZNADMQXDEPAWHZ-BBRMVZONSA-N	247.426	4.636	0	10	BJAE	
Cc1cc2ccc(Cl)c(Cl)c2s1	165038795	NGYQOVVYKJFEPY-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccccc1C(C)(C)C	165073499	JDRJWXKCFOZZPV-ZDUSSCGKSA-N	246.394	4.993	0	10	BJAE	
CC(C)CC[C@H](O)c1ccc(C(C)(C)C)s1	165609378	YLZGQJUGMFBUMG-NSHDSACASA-N	240.412	4.515	0	10	BJAE	
CCCN[C@H](CC1CCC1)c1cc(C)ccc1C	167112845	VZVRNDSZWHRLND-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCc1oc2ccccc2c1C(=O)C[C@@H](C)CC	167193457	KJYYEHYOVUYUJN-NSHDSACASA-N	244.334	4.614	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)c1c(C)cc(C)cc1C	167266680	ZUIYRLARNHOIQI-MLGOLLRUSA-N	247.426	4.699	0	10	BJAE	
CC(C)CCCCCC(=O)C1CCCCC1	199952220	JULZAJKRKMEUCA-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](O)c1cccc(C)c1C	225411839	LNSJQVAZXKRYTQ-XIRDDKMYSA-N	246.394	4.553	0	10	BJAE	
Cc1cccc2[nH]c([C@@H]3CCCCC3(C)C)nc12	226620939	VLSGIJWQKDRMBT-LBPRGKRZSA-N	242.366	4.555	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)C(C)(C)CC	228728839	ZHFSFFXDIMOBAL-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1ccc(C)c(Cl)c1	229272488	NDCVNMMXSXRBBQ-HZMBPMFUSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1cccc(C)c1C	229346488	RODBTXJLRPKABT-GOEBONIOSA-N	234.383	4.553	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H](C)CC1CCC1	229670600	GTLTUIKEISYMBW-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](CC2CCC2)NC)cc1	232156509	GQQBSQWZOHUOLE-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CC1CCC1)NCC	232177870	FEUDZSGMWGBFTI-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@@H](C1CCC(C)CC1)CN2	232820204	OIXYMJWQFQKDQW-HFLCMSJXSA-N	243.394	4.639	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](CC)CCC	232924144	HGRZCSNKRNQCSH-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](C)[C@@H](N)C(CC)(CC)c1ccccc1	233348377	CUCCIKXHBUSHSX-GOEBONIOSA-N	247.426	4.508	0	10	BJAE	
CNc1cccc(-c2cccc(C(C)(F)F)c2)c1	259540230	QYOVHHSDGLWWRA-UHFFFAOYSA-N	247.288	4.507	0	10	BJAE	
CCC1CCC(C(=O)C(C(C)C)C(C)C)CC1	304438165	UWRJGSDUJDIVNG-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1ccc(CC(C)C)cc1	305996748	KDTTUZGIVNRJFZ-PBHICJAKSA-N	248.410	4.745	0	10	BJAE	
Fc1csc2cc(Cl)c(C(F)F)cc12	307432733	YRALRLMTIZICBK-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@@H]1CCC[C@H](C)C1	308119093	ZUQHBOMTZVRWFW-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](CNCC)C[C@H](C)C1CCCCC1	310496413	PULDXJWSFFYBIU-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CN[C@@H](C[C@@H](C)C1CCCCC1)CC(C)(C)C	310525607	XUSDQMWKDYIMHF-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CNC(C)(C)C)CC1(C)CCCC1	310573220	ZVHBFOJBKILKLT-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCCCC(C)(C)CNc1cc(C)nc(C)c1	310636741	AQNHBYUQMYHWKM-UHFFFAOYSA-N	248.414	4.717	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H]([C@@H]2C=CCCCCC2)C1	310658148	RSCNDYYUWWJSIX-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CCCCCC1(CNC)CCC(CCC)CC1	316930195	UBXYWRSLLXRFIZ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)CNCC(C)(C)CCC1=CCCCC1	318080955	FTXQHQXWQKDYRV-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cccc2ccsc12	319674810	IPCOVYIULZMAKZ-MNOVXSKESA-N	246.375	4.766	0	10	BJAE	
CCC[C@@H](Nc1cc(C)cc(F)c1)C1CCC1	322249795	CMYHTRKHAGGBSC-OAHLLOKOSA-N	235.346	4.515	0	10	BJAE	
C(=C\c1ccccc1)\CCn1ccc2ccccc21	323757317	WEYGNYQXXDZJIQ-POHAHGRESA-N	247.341	4.745	0	10	BJAE	
CC(C)CCCCCNC[C@@H](C)c1ccccc1	383216098	QSFUTEGCXVWJRW-MRXNPFEDSA-N	247.426	4.596	0	10	BJAE	
CCNCCC(C)(C)CCCCCC(C)C	383217190	QXGJLIZXZWSIHY-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC(C)CCCCC[C@@H](N)C[C@H](C)C(C)(C)C	383353978	FDYIWQOWIIPVNK-LSDHHAIUSA-N	241.463	4.993	0	10	BJAE	
CC1CCC(C(=O)C[C@@H]2CCC[C@@H](C)C2)CC1	383610665	SNFNCXMJIRRIGT-PIOWNMBXSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C1CCCCC1	385115830	DVPZWLJOZFTQAM-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCNC/C(=C/[C@@H]1CCC[C@H](CC)C1)CC	394515261	LXTWBWDGJTWLJR-FVQZFCNMSA-N	237.431	4.539	0	10	BJAE	
CCCCCC(C)(C)CNCC(C)(C)CC	394579940	BULCIFRVDCQWEU-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)C(CC)(CC)CC)C1	395115029	FSQIULFCCADZAX-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CCc1cc2scc(F)c2cc1C(F)F	396196623	LBELUYUXUCOXAO-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC(C)NC[C@]1(CC2=CCCC2)CCCC[C@@H]1C	401086872	RYACHZKJDBRVHI-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC([C@H](C[C@@H]2CC=CCC2)NC)CC1	402140133	ILFRXLZREHVSGZ-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1CC=CCC1)[C@H]1CCCC1(C)C	402340771	JQCXCYYGMYLTFN-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1[C@@H]2C[C@@H]1CC=C2CCC=C(C)C	575328841	RCHZVZIFPPHIAK-SOUVJXGZSA-N	204.357	4.725	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)c1cccc(C(C)C)c1	688919605	DKPHESCCCIFBLT-DOTOQJQBSA-N	245.410	4.564	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H](C)CC1CCCCC1	689758099	ZNSBTGAZHVLODE-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)cc(C)c1Cl	690267163	NYEMROJAUWFUOR-IACUBPJLSA-N	249.785	4.557	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C1CC2(CCC2)C1	691889636	FZHOHVSEHIQIHO-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)CC1(C)CCCC1	696251481	YHHQIEAGRWIHPV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CCC(C)(C)CC)C1	696751111	UBMBACAXEBYEJK-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCCCCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C	699079522	CAEOZUSPBCHXNQ-XJKSGUPXSA-N	238.415	4.988	0	10	BJAE	
CC/C(=C/[C@@H]1CC2CCC1CC2)CNC(C)(C)C	701073384	DCZTZXKRMAYNOW-BVHAARFBSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc([C@@H](O)[C@H](C)CC(C)(C)C)cc1	704687226	VSSRJTWZONQORB-CJNGLKHVSA-N	248.410	4.745	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@@H]1CCCC[C@@H]1C	704795568	BREVXQCSHRPNJB-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1cccc([C@@](C)(N)C2CCCCC2)c1	704878664	DLFPLMWOYMGMOK-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@@H]1CCCC12CC2	706300862	YWEYMVHYGXPHRP-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H](O)[C@H]1CCCCC1(C)C)C(C)(C)C	710790487	YVNRQQYLNVQMLX-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CCCC(C)(C)C(C)C)NCC	713174409	LFQHOPKJXCOTHJ-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
C=C/C=C\CC[C@]1(CNCC(C)C)CC[C@H](C)C1	713748951	SSEKKQITWHZBHK-YHLLGKTKSA-N	249.442	4.561	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1C[C@@H]1CC)NCC	723096230	SBFMMHWHNXAORZ-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@@H]1CC1(C)C)NCC	723179516	RTYGLIAIPLZSGX-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C1=C(CC[C@@H]2CC3CCC2CC3)CCC1	821962393	CFQHTJRYQPLDRZ-YMAMQOFZSA-N	204.357	4.703	0	10	BJAE	
Cc1ccccc1S[C@@H](C)CC(C)C	1165562055	HPNMLPDRXTYQJA-LBPRGKRZSA-N	208.370	4.522	0	10	BJAE	
Cc1ccc(S[C@H](C)c2ccccc2)s1	1166352824	HMMRMRODZKTSJT-LLVKDONJSA-N	234.389	4.910	0	10	BJAE	
CC(=CCCNC(C)C)CCC1CCCCC1	1879291574	HHGXILIIXXWPMW-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCCCCCc1sccc1C1CC1	1889494467	XXMPXEYNIMEUPX-UHFFFAOYSA-N	208.370	4.748	0	10	BJAE	
CC[C@@H](CC=C(C)CCCC(C)C)[C@H](C)O	1900837384	BLRAIVVNRUUNLO-GJZGRUSLSA-N	226.404	4.556	0	10	BJAE	
CCC(C)=CC[C@H](O)C[C@@H](CC)C(C)(C)C	1900872335	WOWJXCBXSBVSNS-KGLIPLIRSA-N	226.404	4.556	0	10	BJAE	
CCCCN(C[C@@H](CC)CCC)[C@@H](C)CC	1905300304	IAXNCVBHBDMVIG-GJZGRUSLSA-N	227.436	4.713	0	10	BJAE	
Cc1cc(C(=O)C[C@@]23CCCC[C@@H]2C3)sc1C	1909921204	PUSIDRACJJGJQA-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
CCC1(CC)C(=O)[C@H]2CCCCCCCC[C@H]21	1911318840	FNAFCSMTNIYOJI-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC1(CC2(CN)CC3(CCCC3)C2)CCCCC1	1912593113	PYZFHWQIXKDLFS-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
O[C@]1(C[C@H]2CC=CCC2)CCC2(CCCCC2)C1	1915885928	OTWMVUMTKJSTTL-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CCCC1CC([C@H](O)c2ccccc2C(C)C)C1	1921183703	DJGIDUXOTUZJKN-KVULBXGLSA-N	246.394	4.670	0	10	BJAE	
c1cn(CCCCCC2CC2)c(C2CCCC2)n1	1923588361	CLRRUCNZRVDCQT-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@H](C)C1CCCC1	1924112080	PVCFUKSVIBBBKB-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1C=CCCCC1)C(C)(C)C	1925765704	UTQUHTXPTCPXSD-UONOGXRCSA-N	236.399	4.764	0	10	BJAE	
N[C@H](CCC[C@@H]1C=CCCCC1)c1ccccc1	1925946045	PXCXFDKXBIIFFG-NVXWUHKLSA-N	243.394	4.603	0	10	BJAE	
C[C@@H]1CCC[C@@H](C=C2CCC(C)(C)C[C@H]2CN)C1	1927147497	MKEHAIKILIBWGE-FMKPAKJESA-N	249.442	4.524	0	10	BJAE	
CC1(C[C@H](N)CCC2CCCC2)CCCCC1	1940408905	NMMWEPIRLHVBIC-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1CC(C)C1)NCCC	1940682364	KASLKKGKGPFQBI-GYTBAZASSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(=O)c1ccc2sccc2c1)C(C)C	1941262683	ICYCJLPWMOCOIO-ZDUSSCGKSA-N	246.375	4.766	0	10	BJAE	
CCC[C@H](C(=O)CC(C)(C)CC(F)F)C(C)C	1941269513	RQDRMARLNYPSRT-NSHDSACASA-N	248.357	4.699	0	10	BJAE	
CCC(C)(CC)CN[C@H](CCC(C)C)C1CC1	1941357528	MMWINRHZEDRXIJ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)C[C@@H]1CCC[C@H]1C	1944835670	DORBBOOKNFEQAI-UGUYLWEFSA-N	239.447	4.602	0	10	BJAE	
CCSc1cccc(NC[C@@H]2CCC[C@@H]2C)c1	1944842313	IXWPGMFQKZJOHN-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CCC(C)(F)F)CC1	1947994021	SUEFQLLRTAAXKM-TZMCWYRMSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CCC[C@H]1CC1(C)C	1949055600	SFHXKEKVAHKVMU-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCCCCNC[C@@H]1CCCC(C)(C)CC1	1950921044	BBNKKPHRIFJMRV-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)(C)C)C1(CC)CCC1	1951238396	IZUVXWRRDKUZGN-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
O=C(CCCC1CCC1)c1cc(Cl)cs1	1958192671	MIQBGHYOUOGKFC-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC[C@H]1CCC[C@H](c2ncc(C)s2)CC1	1958425309	PXTFZAVAJZNDTN-RYUDHWBXSA-N	223.385	4.525	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CC[C@@H]3C[C@H]3CC2)CC1	1966011744	KKWJGCMNYBKUCO-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H]1CCC2(CCCC2)C1	1967700382	XLXCOJIUSWTLQD-CVEARBPZSA-N	249.442	4.824	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC[C@H]1CCC=CCCC1	1967814509	HVDHMIGYRAQIPK-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1CC(Nc2cccc(C3(C)CC3)c2)C1	1967832182	KJUUCCITGMQTNL-UHFFFAOYSA-N	243.394	4.585	0	10	BJAE	
Cc1cccc(NC[C@H]2CCC(C)(C)C2)c1C	1968254813	MTPHBHPKOKWDPB-AWEZNQCLSA-N	231.383	4.542	0	10	BJAE	
Cc1cccc(OCC2CCC3(CC2)CC3)c1C	1968363289	AVPSIGNTZJPACS-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CC(C)CCc1nc(C2CCCCC2)cs1	1968706814	AMZXOLSSMBTLOX-UHFFFAOYSA-N	237.412	4.779	0	10	BJAE	
CCCC(C)(C)CN[C@@H](CC)c1ccsc1	1973163375	CTDLLVBTENJHLB-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CCC(CC)(CC)[C@@H](NC)c1csc(C)c1	1978539243	JGZKHINQZUOLCT-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CCc1csc([C@@H]2CCCCC23CCC3)n1	1981840113	GZWNOOXUEZTQRI-LBPRGKRZSA-N	235.396	4.533	0	10	BJAE	
C/C=C/CCCCc1nc(C(C)(C)C)cs1	1984605116	FRRCNEQQIKQPIZ-AATRIKPKSA-N	237.412	4.730	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)cc1)[C@H]1CCC1(C)C	1987995689	OJUCAKMVQHOZRO-ZWNOBZJWSA-N	237.774	4.577	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CCCC2(CCC2)C1	1997044043	VZNDWTOYBAQHPF-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC1(CC2(O)CC(C)(C)C(C)(C)C2)CCCC1	1997807656	FGYDSEVEKDMKKB-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C[C@H]([C@H](O)C[C@H]1CCC=CCCC1)C(C)(C)C	2000000305	AXCQTMBSJBUXDR-QLFBSQMISA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@](C)(CNCCC)C[C@H](C)C1CC1	2000515055	PNHVUVPGJKHUKI-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC1CC(C(=O)C(C)(C)C2CCCCC2)C1	2002324120	ZBEYPCMLGLBWFB-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CC(=O)CC1(C)CCCC1)CC(F)F	2003179248	MLARUOIOWGVJHP-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H]1CCC2(CC2)C1	2003210072	AUFPOVLQCDONKJ-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC[C@](N)(CC1CCC2(CC1)CC2)C(C)(C)C	2003218353	QHMPOERWCZODKF-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC=CCCCC(=O)c1ccc(SCC)cc1	2009572329	OAUGIXZHJQCMHZ-UHFFFAOYSA-N	248.391	4.728	0	10	BJAE	
C/C=C/CCC[C@H]1C[C@H](C(C)(C)C)CCC1=O	2009575368	ZFYDTEGKUPFNMO-BUHQSOCUSA-N	236.399	4.764	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1(C)CC(C)C1	2009620780	YANYXRVASROZLZ-RXWJHOHTSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC=C([C@H](N)C[C@@H](C)CC(C)(C)C)CC1	2010625457	NWXSDZAXFJACHX-UMVBOHGHSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)(CC)CN(C)C1CCCCCC1	2011181926	VGUVGXJWQGDPDN-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
C[C@H]1CCCC[C@H]1N1CCCCCCCCC1	2013184542	LNOQAMWVOHHDLE-JKSUJKDBSA-N	237.431	4.611	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C)C1CCCCC1	2013262598	CBUXONZISFWGRM-HOCLYGCPSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)C1(C)CCCC1	2014334642	MNGJFVDZRDVUEX-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@@H](C)CN(C)[C@H](C)C1(C)CCCC1	2014392856	NQKPWOXEMIMHGC-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC1([C@@H](N)C[C@@H](C)C(C)C)CCCC1	2015274893	MAKHCHDEHDSZEJ-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CC(C)C(CC[C@@H]1CC[C@H](C)CC1=O)C(C)C	2015390594	NNLKQDPARZLPQK-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CC(C)CNC[C@@H](C[C@H](C)C(C)C)C(C)(C)C	2015398499	LTHVUECMWZYAGI-LSDHHAIUSA-N	241.463	4.577	0	10	BJAE	
CC(C)C1(C[C@@H](O)[C@H](C)CC(C)(C)C)CCC1	2017118496	HVIWACWQQSYOJP-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@@]1(CC(C)=C(C)C)CC[C@H](C)C1	2017467395	WKPOHMQYTVQYQE-HOCLYGCPSA-N	237.431	4.539	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CC[C@@H]2CC)CC1	2017728887	QCJXKLCZQWPFLJ-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@]2(C)CCC(C)(C)C2)C1	2017911678	GMKSDEIHWJDFLW-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@@H]1CC[C@@H](C)[C@H](C)C1	2019127111	RHBJFUZGWOYMHY-LVQVYYBASA-N	239.447	4.712	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H]1CCC[C@H](C)CC1	2019414167	KGQFGJVJSWQICL-JYJNAYRXSA-N	239.447	4.712	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)C1(C(C)(C)C)CCC1	2022561590	WGOIVUDQSWPOBY-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCc1cccc(C(=O)CC[C@H]2CC2(C)C)c1	2027811723	FLDZRDBYDBECGX-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CC1([C@H](O)c2ccccc2C2CC2)CCCCC1	2028559310	FOPXLSMFWNSEDD-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C1(C)CCCC1	2028896304	BFKAXABXSPBNJC-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H]1[C@H]2CC[C@@H](C2)C1(C)C	2029599661	FMZKRDXGDNPTKT-YHUYYLMFSA-N	249.442	4.523	0	10	BJAE	
CC(CCC(C)C)=C1CCC[C@@H]1[C@H]1CCCCN1	2029825591	NVHXAGIFUKPDTE-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc([C@H](N)C[C@@H]2CCC[C@H]2C)cc1	2032514737	OKZKTMIIJRLTEM-XOKHGSTOSA-N	245.410	4.636	0	10	BJAE	
CC(C)(CNC1(C2CCC2)CCC1)C1CCCC1	2034029531	ZQLYFQLXWGVYGE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](C[C@H]2C=CCCC2)NC)CC1	2035576146	MYTZLVSABQFKNF-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(C(=O)c2c(C)cc(C)cc2C)C1	2036487332	QQMLBHXESUQVDX-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(CC2=CCCC2)CC1	2037160133	GBDBXNQHGPFTNX-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CN([C@H]1CCC(C)(C)C1)[C@H]1CCC2(CCCC2)C1	2037671204	BWDXRMWSHOSSFC-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CN[C@H]([C@H]1CCC2(CCCC2)C1)C1(C)CCCC1	2037761451	HFPSQUKGLNKQLM-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1CCC2(CC1)CC(N)([C@H]1CCCC[C@H]1C)C2	2038939843	HAUGTSUETYPNOX-QZAQUIPZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@H]1CC12CCCCC2	2038996998	PPDNGLJQQRGGCT-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CNC[C@@H]2CC23CCCCC3)CC1	2039091181	HOASGABJYRXSRK-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CCCC(C)(C)C(=O)c1cccc2c1CCCC2	2040718208	ZYEMPKXTGBWLHG-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
O[C@@]1(CC2CC=CC2)CCCC2(CCCCC2)C1	2040763108	LXHBYHOQDQXTTI-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2042343964	BQKDOJRMGCMMEQ-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1	2045315591	VVLILDUSMFGZCK-KLHDSHLOSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2CCC=CCCC2)C1	2045318306	UJVSUAKOQWYPIT-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C[C@H]1CC12CCCC2)C1(CC)CCC1	2047017615	XBAIUIUUPIBZCO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC23CCCCC3)CCCCC1	2047060798	AGGNFLJLPKGEKR-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
C[C@H](C1CCCC1)N(C)[C@H]1CCC2(CCCC2)C1	2049430676	JPFNQYZMZXXFII-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CCC1(C)CCC(NCC2CC3(CCC3)C2)CC1	2051595411	NCMUCAVZPBCVRJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@]1(C)CCCN(C[C@@H]2C=CCCCC2)CC1	2051605093	UVLMVJQHHSVGJL-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H]1CCCCC12CC2	2059261305	CYLYJKKQXWFLHZ-KADIJHKTSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@H](N)CCC2CCC2)CC1	2061080503	HZXFXHMWXNRCGV-HOTGVXAUSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)C1(C(C)C)CC1	2061142693	FHGSEILQNMOHQJ-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCCCCC23CC3)c1	2062017150	MSEXBKXOGBMRCG-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
C[C@@H](CC(=O)C1CC2(C1)CC21CC1)CC(C)(C)C	2064129436	APSSRYLRUYDNJH-POZPTJLLSA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(CCC(C)C)c1cc(C)c(C)cc1C	2065993234	QOXJAMAHBLYUCN-KRWDZBQOSA-N	247.426	4.612	0	10	BJAE	
CC(C)C[C@](N)(C[C@@H](C)C(C)C)c1ccccc1	2069018853	LKHZTBKYJMGEDJ-WBVHZDCISA-N	247.426	4.569	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C1(CC2CC2)CC1	2069517108	IINPFSOZMVUZIG-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C(=O)C2[C@@H]3CCCCC[C@@H]23)CCC1	2071928551	NNWQSFKBCDULII-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC(C)=C(C)C)c1cccc(F)c1	2072430185	WQJFMBHNYHORIE-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
C[C@](N)(C[C@H]1CC[C@H](C)CC1)[C@]12CCCC[C@H]1C2	2072799050	OWIMBYUGWDSUIE-WOYTXXSLSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@](N)(CC)c1ccccc1C1CC1	2073343325	ZYOLWHHKTSEGMT-KRWDZBQOSA-N	245.410	4.708	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@]12CCCC[C@H]1C2	2074025605	PNFWJDDTOVZJCF-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
C(CCCCC1CC1)=C1CCNC2(CCCC2)C1	2074132637	HYBUHNVPBOOGEX-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1	2074648708	LRDZWGGXKZSLIO-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1CCCC1)[C@@H]1C[C@@H]1C1CCCCC1	2079830391	ARVFZRXTTUSNIB-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CCCC12CCCCC2	2079860833	CPRZWDUBZQUKKX-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)CC12CCC(CC1)C2	2079865748	PGUVVXXFKOOKNI-SCOKMKKDSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(-c2cccs2)cc1C(F)(F)F	2080300475	OUSQLYUQEONMBD-UHFFFAOYSA-N	242.265	4.742	0	10	BJAE	
C[C@H]1CCCC(=O)[C@H]1CC1CC2(C1)CC(C)(C)C2	2083794144	AODVWMVDBPXBRE-JSGCOSHPSA-N	248.410	4.598	0	10	BJAE	
C=CC=CCC[C@H](CC1CC(CC)C1)NCCC	2084995434	BQFBCCUZMCHBJP-OFLPRAFFSA-N	249.442	4.703	0	10	BJAE	
CCC1CC(C[C@H](NC)C2=CC[C@@H](CC)CC2)C1	2085002659	ZIIJZWRNHMUDKU-VXTDNTOSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1C[C@H]2CCC[C@H]1C2	2086171451	NHOPSUOWFMQIOL-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
CC(F)(F)CC[C@H](O)CCCCCCC1CC1	2213580727	NYODWOHIGAWCKV-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC(C)CC1(C(=O)CC2(C)CC(C)(C)C2)CC1	2215440280	QHYORRGLPHGKSP-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)C2C[C@H]3CCC[C@H](C2)C3)C1	2218336262	BEBWGIZAMBPAIM-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@]12CCCC[C@H]1C2	2218728400	URKFCJKIFVUCOV-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@H](C)Nc1ncccc1C1CC1	2221379682	XLEKVULBODGFMC-ZDUSSCGKSA-N	246.398	4.730	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2CC[C@H]2CC(C)C)CC1	2221646257	RQWIYRHYWGVIHU-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](N[C@H]1CC=C(C)CC1)c1ccc(C)cc1	2221667533	VFBFBMRSOPMROM-DLBZAZTESA-N	243.394	4.535	0	10	BJAE	
C[C@@H](N[C@@H]1CCC[C@@H](C(C)(C)C)C1)c1ccoc1	2222269515	SAWRZQFDUMKVBL-BPLDGKMQSA-N	249.398	4.535	0	10	BJAE	
C(=CCC1CCNCC1)CCCCCCC1CC1	2223108276	CWDCMXIEMZJTSO-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC1=CC[C@](CCC(C)C)(CNC2CCC2)CC1	2223550638	NGVWFBUQCXGVQR-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CCC1CCCCC1	2244776925	CTFJKDLJPQXVCM-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
CCC1(C)CC(O)(CC[C@@H]2CCC[C@H](C)C2)C1	2246687669	QAYTYGISFXWSOT-FXQLRMTLSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)C(=O)C1CC2(CC(C)C2)C1	2247077605	BQIQQGBPNASONN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC1=CCCCC1	2247508391	IFOLCRJVICPDMG-OAHLLOKOSA-N	234.383	4.807	0	10	BJAE	
CC[C@@H](C(=O)CC[C@@H]1CCCC12CC2)C(C)C	2247645173	JHZWMXUCKUDMEE-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1CCCC2(CC2)C1	2250357028	UAXBWTNKOGDEHH-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H](C)C1CCC1)NCC	2250374912	YNEXPWQBDDCOQL-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@]12CCC[C@H]1CC2	2251215048	IJGSOWXXVABLKT-ARFHVFGLSA-N	237.431	4.645	0	10	BJAE	
CCC1(CC(=O)C2CC(CC(C)(C)C)C2)CC1	2251532573	YTYQVVCJANLEAT-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1CC(C)(CC(=O)[C@]23CCCC[C@@H]2CCC3)C1	2253762197	DOGYKNYRRODTKE-CPBWPMLKSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCNCC(C)(C)C1=CCCC1	2254505463	MXVOABXTNDFQJH-GJZGRUSLSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC=C1CCC(C)(C)C[C@@H]1CN	2254545539	UJJWIUJNKQKCQB-FVQBIDKESA-N	249.442	4.524	0	10	BJAE	
Cc1cccc([C@H](N)CCCC[C@@H]2C[C@@H]2C)c1C	2254609077	LUZYBPMJUHIZGU-YSVLISHTSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C1(C)CC(C)C1	2255060241	YPUGFJMBOPNRBQ-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@H](CC2=CCCCC2)C1	2255126056	GYYORFMIQHHGLV-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)CC[C@H]1CCCC12CC2	2255233847	JDWKGDVYKZTYNP-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	2257283420	MVNPYFDQJOZJBI-RUCLQGLUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@@]12CCC[C@@H]1CC2	2260506234	IUSCRACFLLDSCK-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC1(CN[C@]23CCCC[C@H]2CC3)CCCCCC1	2260617189	JGCXJUZWPSLALM-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CCC(CC)C(=O)c1cccc(C2CCCC2)c1	2260733167	IVXIPAZLXIIQIH-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC(C)(C)CC1CC(C[C@H](N)[C@@H]2CC=CCC2)C1	2261262054	JVVYUEILLIFVCK-FJBKBRRZSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(C[C@@H]2C=CCCC2)C1	2261375110	KVAQHZAAXUCYIK-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)CC[C@]1(O)CC[C@@H](C)[C@H]1C(C)C	2300684568	VZHROAFWIGGWOW-FVQBIDKESA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1C[C@@H]1C(=O)CC=C(C)CCCC(C)C	2300877383	PWNWOVCEYQKIEY-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
CCC(C)=CC[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C	2300882460	VMWRPOYONKRCTN-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2CCCCCC2)CC1	2301141907	DMHIIWFNXWFLGK-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](CCNC(C)(C)C)CC1CCCCCC1	2301237528	YAYAPRBHRANTLS-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@H](N)CCC1=CCCCC1	2301903899	YJYNINFAOQRBER-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
CC(C)c1ccc(F)cc1NCCC1CCC1	2301909727	GXOMYLCUWQFLPY-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@H](C)C(C)C	2301913287	QFQZXKUTQJOURC-GFCCVEGCSA-N	237.362	4.653	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1CC[C@@H]1C(C)(C)C	2303506902	APOMKGOBFBGKKS-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1c1cc(=S)c2ccccc2[nH]1	2304031354	XCRNRFHMTDBUFG-NWDGAFQWSA-N	243.375	4.657	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CC[C@H]2CCC(C)(C)C2)C1	2304433348	BBQRICWXCMSBBH-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H]2CCCC[C@@H]2C1=O	2307802251	VKCAWBZZOLFHNT-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)C1CC2(CCC2)C1	2307818014	WINPEFCAQHDWIL-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CC12CCCCC2	2307893909	PASQYBGODXNRCV-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H]1C[C@@H](N)CC2(CCC2)C1	2307907198	KETIVMXCVUBEED-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@H]1C[C@@H]1CCC	2307908347	GTANFRYXMYNAKD-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc(F)cc1C	2307925321	SHTSAOJGESIKLF-LBPRGKRZSA-N	236.330	4.533	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NC[C@@]12CCCC[C@@H]1C2	2311144279	GEQGTUSMRQNFEN-OIISXLGYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@@H]1C[C@H]1C1CCCC1	2311610334	MYNKRPUYLOIZLI-FMKPAKJESA-N	248.410	4.598	0	10	BJAE	
CC(=CCN1C[C@H]2CCCC[C@@H]21)CCCC(C)C	2316512933	LODPMFKLYJPXIY-SJORKVTESA-N	249.442	4.633	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1C[C@H]2CCCC[C@H]21	2316880288	IZWUBSHEPWMDBD-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCCC1CCCCCC1)c1ccccc1	2316880714	YNQKHHMLZVMDKE-QGZVFWFLSA-N	245.410	4.827	0	10	BJAE	
CCCc1ccc([C@H](N)[C@H](C)[C@@H](C)C(C)C)cc1	2317825233	WIVYEPPORIQOQB-JJRVBVJISA-N	247.426	4.567	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H]1C[C@@H](C)c2ccccc2N1	2317950358	IKYFYGVQMBEXNK-UMPJEAMMSA-N	245.410	4.903	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNC[C@@H]1CCC=CCCC1	2318761176	YBIGJIQPVBPLLG-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
N[C@@H]1CCC[C@@H]1CC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2318793100	BZSCFAFWHFCIQY-ZOFXXKQRSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CCC[C@H]1C[C@@H]1C	2318935066	BZPCTHCODSBTLV-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCCC[C@@H]2C[C@H]21	2319253801	XUJWNJNJJMLEJV-BFYDXBDKSA-N	243.394	4.630	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C=C1CCC[C@H](CCN)C1	2320251987	FEAQHSVRJBOBLL-VNQPRFMTSA-N	249.442	4.524	0	10	BJAE	
CC1=C(C)C[C@H](CN2CCCCC(C)(C)C2)CC1	2320386994	CFCAUROIAAWLHU-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)CC2CCCCC2)CC1	2320388306	OREBTVACRIPFDB-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CCNC[C@]1([C@@H]2CCC2(C)C)CCC(C)=C(C)C1	2320398991	UIWFCMMUYUSNBC-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@H]1NCCC(=C2CCC(C(C)(C)C)CC2)[C@H]1C	2321305004	NNIVTEJYHYTQPZ-IKCIUXDWSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CCN[C@H]2CCCC23CCC3)C1	2321528242	IRFZMYGPMCCEJK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CCNC23CCC(CC2)CC3)C1	2321542601	QKLXVUPTPAGLTO-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)CCCC2CC2)c1	2327700855	GAHAEMWGGSXKCB-KRWDZBQOSA-N	246.394	4.732	0	10	BJAE	
CCC[C@@H](CC)C[C@@](CC)(CO)c1ccccc1	2328213975	SYBCZNPXRYQBJZ-WBVHZDCISA-N	248.410	4.543	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cc2ccccc2o1	2328277907	OMZVSVVZBPZKLS-TZMCWYRMSA-N	245.366	4.649	0	10	BJAE	
CCCCCC[C@@H](C)NCCCc1ccccc1	20306117	PJSWCMFRHXKJLZ-MRXNPFEDSA-N	247.426	4.568	0	10	BJAE	
Cc1ccc(NCc2c(C)cc(C)cc2C)cc1	21513368	HBDGYZGUSWCINR-UHFFFAOYSA-N	239.362	4.532	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)c1ccccc1C	21803280	DYFCETCSLVGEKE-LSDHHAIUSA-N	233.399	4.614	0	10	BJAE	
CCCN[C@H](CC(C)C)c1ccc(C(C)C)cc1	36820156	DRAJVRQYRFJWGA-QGZVFWFLSA-N	247.426	4.897	0	10	BJAE	
CCN(c1cccc(C)c1)[C@H](C)c1ccccc1	59740949	FDNSTCGBCLYQKC-OAHLLOKOSA-N	239.362	4.583	0	10	BJAE	
CC(C)c1ccc([C@H](C)c2ccccc2)cc1	75842445	GTIHEHGCHKJTCQ-CQSZACIVSA-N	224.347	4.962	0	10	BJAE	
CCC[C@H](CC[C@@H]1CCCC[C@@H]1CC)NCC	80410864	FLTDIMLNRPXYEU-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@@H](C3CC3)C2)cc1	81624196	CLTBHSUUGBAPMK-NVXWUHKLSA-N	243.394	4.630	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](CC)c1cccs1	82631384	ACGJMKNWTOUDOV-AAEUAGOBSA-N	239.428	4.614	0	10	BJAE	
CCCCCC(C)(C)[C@H]1CC[C@H](C)C[C@@H]1NC	85156680	OXECGFKRUDXGCJ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1CCCC[C@@H]1C	85388142	REKBSWUFWLPGGT-GWCFXTLKSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@](CC)(CNC(C)(C)C)C(C)C	87155415	ZOLFHGIETRJBOG-OAHLLOKOSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2CCCCCC2)C1	87946460	KMUDHAOCKNNGFF-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCCC)[C@@H]1C[C@@H]1C	88054438	FMABYILNUVOYGH-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](Nc1ccc2sccc2c1)c1ccoc1	94868103	BAYIXRCURXSIDX-SNVBAGLBSA-N	243.331	4.667	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)c1ccc(C)cc1	103937643	PQARGXXNFPIGJN-DOTOQJQBSA-N	248.410	4.809	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC1CCCCC1	104018066	FTYKVESXPOCQNT-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)CC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	109665597	ODUJASRDIYEZAK-MJBXVCDLSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CC1CC1)c1ccc([C@@H](C)CC)cc1	110208315	PHQSESUQKXAWGZ-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CCC(CC)CN[C@H]1CC[C@@H](C)c2ccccc21	124842570	JBBZGCAKHZOJHT-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H](C)CCC	126810796	SGUYUBGRTPFRFL-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(-c2ccc3ccccc3c2)c(O)c1	145944132	JSZLZKHDKCRPOX-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
CN[C@H](CCC(C)C)c1ccc(C2CCC2)cc1	157635237	VAFPZHSEIFIGQH-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(C)CC[C@H](NCC)C1	164702592	MKKUXNMMYCKDKJ-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](C)Oc1nc(Cl)cs1	164920059	ZSUNKHZGAMOIHO-SECBINFHSA-N	247.791	4.534	0	10	BJAE	
CCCCC1CCC(C(=O)C[C@@H](C)CC)CC1	165095621	XNDHMUMTZKAZKI-NFOMZHRRSA-N	238.415	4.988	0	10	BJAE	
CCCC(CCC)[C@H](N)[C@@H]1CCCC[C@@H]1CC	166911050	YKHOAFVEWKQEBM-IMJJTQAJSA-N	239.447	4.747	0	10	BJAE	
C[Si](C)(C)CCCCC[Si](C)(C)C	195807802	CARCLKGQWADKFV-UHFFFAOYSA-N	216.517	4.833	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](CC2CCCCC2)C1	203531378	HHBIKNMNFDTRMZ-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CNCCCC1CCCC1	225241076	RWPREEQFURBUPX-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
Clc1cccc(N[C@@H]2CCC23CCCCC3)c1	230161498	AMMAFKXTNOGSHD-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
Cc1cc(N[C@H]2CCC[C@H](C(C)C)C2)ccc1F	230994116	UWHDFUABKWWGGF-KBPBESRZSA-N	249.373	4.761	0	10	BJAE	
Cc1c(N)cccc1-c1ccc(C)c2ccccc12	232217472	GFTGDHZVJQMFJH-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CCCC1(CN[C@H](CC)c2ccc(C)cc2)CC1	233040199	NXSYFKXWBMQZKR-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNCCC2CCCCC2)C1	235701176	FRDRYORYTQJBSM-RHSMWYFYSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)C[C@H](C)NCC	251408951	WRYCZDVAGKIJKR-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)CN[C@H](C)C[C@H](C)CC	251414746	XSAIYVKHDLIJOH-KFWWJZLASA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2	252896515	BREYHCVAJJBAGH-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CC(C)NCCC(C)(C)CCCC(C)(C)C	300847320	KNBLTGGXSKTLTD-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)CCCC(C)(C)C	300915473	SNRQNZLRAKDBEO-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
Cc1cc([C@@H](N)CCCC(C)(C)C)sc1C	300948163	WWJGHEDNJXVYDR-LBPRGKRZSA-N	239.428	4.581	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(C)c(Cl)c1	300956496	PSNZOXGDGULWJQ-NSHDSACASA-N	238.758	4.657	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H](C)CC(C)C	300997511	WORKKLOJTDCNCX-KBPBESRZSA-N	226.404	4.844	0	10	BJAE	
CCCN[C@H](CCCC1CCCC1)CC(C)C	302241271	DWOJTSZCZLIPBY-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)n1ccc2c(Cl)cccc21	304354288	CVSCBQIIBWIQTP-LLVKDONJSA-N	235.758	4.902	0	10	BJAE	
CC(C)C[C@H](C)CNc1ccc2ccccc2c1	305936328	KSZSSLMATPNJNC-AWEZNQCLSA-N	241.378	4.934	0	10	BJAE	
CCc1ccc(NCCCC(C)(C)C)cc1C	306053004	ULTAAOQXNIABSD-UHFFFAOYSA-N	233.399	4.796	0	10	BJAE	
CCc1ccc2scc(Cl)c2c1Cl	306831555	KRZPVDOTYXFTDH-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCc1cc(Cl)c2scc(SC)c2c1	306913610	PPDIGOLPFFONKP-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@H]1CCC[C@@H](C)C1	308032818	PWDRHQWDDSCFDK-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)(CNCC(C)C)[C@H](C)CC(C)C	310102952	LXWDUTALEZJLOD-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
C[C@H](C[C@H](N)C1(C)CCCC1)C1CCCCC1	310477203	KNHSCTYTGYXHMT-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C(C)(C)C(C)(C)C)C1	310521612	WXDDCWZAUXJTGK-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CCCc1cccc([C@@H](O)C(C(C)C)C(C)C)c1	310854945	MUXMXWZJPHBKHL-QGZVFWFLSA-N	248.410	4.601	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@H](C)CC(C)C	380096165	WCSRHJAIMKVZDQ-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](c1ccccc1CC)[C@H](C)C(C)C	381167471	JNQQQCOTZYALFX-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@@H](c1ccccc1CC)[C@@H](C)C(C)C	381167472	JNQQQCOTZYALFX-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
Cc1csc(C(=O)[C@@H](C)CC(C)C)c1Cl	382367500	CJSQCYZBYORMSF-QMMMGPOBSA-N	244.787	4.575	0	10	BJAE	
CC(C)CCCCC[C@]1(CN)CCC[C@@H](C)C1	383219468	DWRPRRYSKAEAHX-CVEARBPZSA-N	239.447	4.748	0	10	BJAE	
CN[C@@H]1CCCC[C@@H](CCCCCC(C)C)C1	383240391	VDIYMGHVPVLCEW-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](c1ccccc1C(C)C)[C@H](C)C(C)C	386396158	WCAPDRBZDUUBIK-RHSMWYFYSA-N	247.426	4.753	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@H](C)CC(C)C	395515784	WWIHUQKPASCXCN-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCc1csc2cc(C)cc(C(F)F)c12	396211430	AYSAWFNBDUIBAD-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCOc1cc(C(F)F)c(C)c2sccc12	396241013	LLLYSJLALIQJOK-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1c(C(F)(F)F)sc2cc(F)ccc12	396299366	NKDGVTOTPMYDEB-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)CC1=CCCC1	401052421	XDIKIOWOSXBRJK-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
Clc1ccc(CCCC2=CCCC2)cc1	401071853	JROWRYFXRKVDCM-UHFFFAOYSA-N	220.743	4.773	0	10	BJAE	
CCCNC[C@@]1(CC2=CCCC2)CCCC[C@@H]1C	401086384	RSPJXBIQECPZKH-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H](C[C@H]2CC=CCC2)C1	402367518	ZIEWAYKMXZJFJS-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)CCCC1CC1)CC(C)(C)C	405796565	IQRDNAOSOXHAFD-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC1([C@@H](O)CCC2CCCCC2)CCC1	686922280	SJVXPJBZJQWECY-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(O)CC2CCCC2)C1	689769623	UOCJXDJHZZTXFR-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H](C)[C@H](C)CC	690188697	HUXBEXBACLPKCQ-ZIAGYGMSSA-N	247.426	4.966	0	10	BJAE	
CC[C@@H](C)CCNc1cc(C)c(Cl)c(C)c1	690247423	LMZPPTFLVBUXKZ-SNVBAGLBSA-N	239.790	4.805	0	10	BJAE	
Cc1cccc(-c2c(C)ccc3ccccc23)c1N	690320964	NBDPNRCBKJWUCZ-UHFFFAOYSA-N	247.341	4.706	0	10	BJAE	
CCC(F)(F)C(C)(C)CNc1cscc1C	691067749	JJEBOAHHFJOUMY-UHFFFAOYSA-N	247.354	4.540	0	10	BJAE	
CC1CC(CCC(C)(C)C)(CNC(C)(C)C)C1	691412190	DELMMFKXPREGMN-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@]12CCCC[C@@H]1C2	693217483	PUGJIRNIYNSIDB-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CCC[C@H](C)C1	697759302	NSHCZDNLIHBMSH-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C(=O)CCCC1CCC1)c1ccccc1	701566215	AZJYMZIJOLETRF-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCC(NCCC1CCCCC1)(C1CC1)C1CC1	704655691	JUOYXKVGJWVLNR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCCCC[C@@H]1C	704928357	KXRQNIRAOLOZGB-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@](C)(N)c1ccc(C(C)(C)C)cc1	707696230	LVCJYMRWLSHGIR-QGZVFWFLSA-N	247.426	4.594	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](C)(N)[C@]12CCCC[C@H]1C2	709278436	PGMZZQKOXVJORK-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@@H](C)C(C)(C)CC	710023335	GUQRBAISWVBNSH-MELADBBJSA-N	227.436	4.616	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H]1C[C@H]2CC[C@H](C2)C1	710924918	MAYUDTNXMCLVTO-CLLJXQQHSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C1(CC(C)C)CCCC1	713200818	SJWWSDKLUAFJOP-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
C=C/C=C\CC[C@@H](NCC)c1ccccc1Cl	713710194	NIQIVKWWTFILSF-IYKSTZQJSA-N	249.785	4.513	0	10	BJAE	
CCC1CCC(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)CC1	714314018	FHWZBSQYTFPZBR-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cscc1C(F)F	717195667	YXDLZQVVUZOBCX-LLVKDONJSA-N	247.354	4.512	0	10	BJAE	
CC(C)=C(C)CCc1cc(C)c(F)cc1F	718699540	LCJKRCMGJVEECT-UHFFFAOYSA-N	224.294	4.562	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H](C)CC(C)(C)C	718773024	MQQVSLHVHKWEBK-CYBMUJFWSA-N	224.388	4.764	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@H](C)C1CCCCC1	721679078	OWNKGLBIXXDNOQ-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC(C[C@@H](O)C2CCCCCCC2)C1	723546634	ULWSAPPEGVHHDC-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CCNC1CCC(C(C)C)CC1	1651486858	NMAUGRDFGGXXAC-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H](C)CC1CCC1	1899390271	SXNKPZFDNWHJJY-JSGCOSHPSA-N	224.388	4.598	0	10	BJAE	
COCC[C@H](C)CC=C(C)CCCC(C)C	1900824877	BIAUTKQVTYHQPD-OAHLLOKOSA-N	226.404	4.822	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CC=C(C)CC	1900884699	XCUDHIJDBFMFST-LSDHHAIUSA-N	226.404	4.556	0	10	BJAE	
CCCCC[C@](C)(O)CC1CCCCCC1	1901103127	SRFXKJGCPOKMAR-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
Cc1ccc(-c2nc(CCC3CC3)cs2)s1	1901907239	DUMWMVXUAODCSU-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
Cc1sccc1-c1nc([C@@H]2CC2(C)C)cs1	1901911967	LHOMQYGMUIEQOZ-JTQLQIEISA-N	249.404	4.694	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCC[C@@H]1C[C@@H]1C	1911055105	BPUNFYOSSMVJMW-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CC1CCC(CC=CCCNC(C)(C)C)CC1	1912029236	LXWQPVQZDRLXEZ-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C[C@]1(C)CN[C@H]1CCC2(CCCCC2)C1	1915862832	JDHWTKFGBDFRHS-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC3(CCCC3)C2)cc1F	1916441255	ZAEVOYFBQMUYQM-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CCCc1ccccc1	1919969396	IXMBUBQCFNHESK-DOTOQJQBSA-N	248.410	4.587	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H](C)C(C)(C)C	1920185864	MPZCDRPDGMKEPW-UKRRQHHQSA-N	227.436	4.747	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@H](C)C2CCCC2)c1	1923881485	IDHOJITWWMZORK-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)CCC(C)(C)C	1937267436	NBCDEZHRLRJROQ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC1(C)CCCCC1)[C@H](C)CC	1940408912	NNFBIZCLDSNZDD-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)CC[C@@H]1CC1(C)C	1940865470	YDZLEDLQJFZIMG-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)[C@@](C)(N)C1CCC(C(C)(C)C)CC1	1941144268	KTNKTGRWNWQVFE-UWLZSVRSSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](CCC1=CCCCC1)NC	1941262824	JMCTYGIBYKCKLM-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@](O)(CCCCCC1CC1)C1CCCC1	1941572670	DDWNAKMHSNMGHQ-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@H](C)CCC(C)C	1942658240	HMRPGHSMXXMQEB-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C(C)(C)C(C)C	1944681646	VOMFKXVUOMBZQU-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H](N)CC1CCCCCC1	1944818712	GQEUJOHJMCNADX-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@H](N)CC1CCCCCC1	1944818714	GQEUJOHJMCNADX-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCCC(=O)C1C[C@H]2CC[C@H](C1)C2	1945324082	XIWYSWVLJHFMRE-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)C1CCCCC1	1947468208	NLYVALPRSDTHPM-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
Cc1ccc2oc(C[C@H]3C=CCCC3)cc2c1	1947552715	QZFSNKPPZFHSTD-ZDUSSCGKSA-N	226.319	4.640	0	10	BJAE	
CCCCCC[C@@H](CC1CC2(CC2)C1)NCC	1948685389	HYWVWOVIOSEWHE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(CC2(C)CCC2)C1	1948972039	BXYRYOHSRKFZFU-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1C[C@H](C(C)(CC)CC)CCC1(C)C	1949663505	XEHBPZPQYUFYCT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@](C)(O)CC1CCC(C(C)(C)C)CC1	1949792501	CSQALEZIDFPDNG-XUJLQICISA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C=C1CCC[C@H](CCN)C1)CC	1950487548	YYHCRWKRQSGKBX-HUUCEWRRSA-N	237.431	4.668	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccsc1Cl	1959880911	YSULKGCRIJAACD-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
C[C@@H](CC1CCC1)NC[C@H]1CCCCC12CCC2	1967865107	NVKMZTXSMUGTIG-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCC[C@@H](C)C2)c(F)c1	1968326115	BZVAXDXMSKJJNA-OCCSQVGLSA-N	249.373	4.762	0	10	BJAE	
C[C@@H]1[C@@H](N[C@H]2CCCC3(CCC3)C2)CCC[C@H]1C	1968346874	SNHFPAUNUPVVRC-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@@H]1CCC2(CCC2)C1)c1cccs1	1968963765	ZQOLGVCWIMYBMQ-OLZOCXBDSA-N	249.423	4.512	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@H]1NC1CC2(CCCCC2)C1	1969583911	ZZGDKWGUIKJRDH-IJEWVQPXSA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)CNC1(C2CC2)CCCC1	1970872136	UKRSVBOZZSLTEW-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H](CNC2(C3CC3)CCCCC2)C1	1973779265	FCEPSOCRFNSQCB-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@](C)(CC=C(C)C)CNCCC	1978663075	DDYYDUCMAGGBCH-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CC=CCCCc1ccc(C(F)(F)F)cc1	1984609586	CHQKQBJRFKHVJK-UHFFFAOYSA-N	228.257	4.604	0	10	BJAE	
C/C=C/CCC[C@H](NC)C(CCC)CCC	1984629719	KHWYURDCZFASBL-PXTSUWAFSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@]1(C)CCCC[C@@H]1C	1995646121	YVURUFRTHUXFTB-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCC1(C)CC(N[C@H](C)C2(C)CCCCC2)C1	1995985184	HAOXLWKPPLTMGW-WLYUNCDWSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC([C@](C)(N)CCCC2CC2)CC1	1996593126	FRTTXCAPLBVKPQ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2CC(C)(C)C2)CC1	1997107096	ZXPNEBIMBOOZBJ-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](NCCC)C1(C)CC=CC1	1997543798	LNBPYWLBYKSQLL-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1C=CCCC1	2000197387	XZYDUFLEOFQMAG-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CCCC[C@](C)(CN)C[C@H]1CC12CCCCC2	2001212842	BZDMYLCLXMQBNN-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2001495411	VPHGMQUYUILBKE-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@](C)(O)C1CC(C(C)(C)C)C1	2002300527	URBPFZPXSJJREA-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@H](O)C[C@@]1(C)CCCC1(F)F	2002575272	CBNSSVPKMOLILW-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H](CC1CC1)NC1CCCCCCCC1	2003100170	POVKKDFBRPWUKN-HNNXBMFYSA-N	237.431	4.658	0	10	BJAE	
Cc1ccc(Cl)cc1[C@H](N)C=C1CCCCC1	2007937525	PAHRCQCVLUZZGA-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CCN[C@@H]1CC[C@H](CCCC(C)(C)C)[C@H]1CC	2009228244	JLERLQOUWCSGGW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](C(C)(C)C)CCC1=O	2009575372	ZFYDTEGKUPFNMO-QAMKJQMISA-N	236.399	4.764	0	10	BJAE	
C/C=C/CCCc1ccc(OC2CCC2)cc1	2009595750	ZNIRSCRLPMCNNF-NSCUHMNNSA-N	230.351	4.517	0	10	BJAE	
C/C=C/CCCN[C@H](C)C1CCC(CC)CC1	2011435469	MIHDJSYRVMIKHO-INJKBYBBSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCC[C@H](CC(C)C)C1	2013472087	AJSWSDRDRUXVBQ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@@H](C)C(C)C	2015272113	BXNBIUGGABQZNA-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)C[C@@H]1CCC=CCCC1	2016237270	MEQAFEASFRKLLW-PMPSAXMXSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCCC1CCC(C)CC1	2017746380	KVJJSEQTUKVYTH-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](N)(CC)CCC1=CCCCC1	2018134613	QLACYRVVBIYHLJ-INIZCTEOSA-N	237.431	4.955	0	10	BJAE	
CCCC1(C[C@@H](CCC2(C)CC2)NCC)CC1	2018996839	WKQRQTFFLSVAKL-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
Clc1ccc(NC[C@H]2C[C@@H]2C2CCCC2)cc1	2022489666	MIVZYTJVXHRANT-IUODEOHRSA-N	249.785	4.578	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1C[C@H]1C(C)(C)C	2022498060	GFWLINXURLWVJA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1C[C@H]1Cn1ccc2c(Cl)cccc21	2022549131	FPBVZYDZSKBPTM-RYUDHWBXSA-N	247.769	4.731	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@](C)(O)C2(C)CCC2)C1	2024126947	ZGAADSVNYNKCKH-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
Cc1cn(Cc2ccccc2C(C)C)c(C)c1C	2027512519	ZADVZKBUCDPJPY-UHFFFAOYSA-N	241.378	4.585	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)C1(C2CC2)CC1	2028100593	AUJLGRRZUQQXLX-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc([C@@H](N)[C@H](CC)C(C)C)cc1	2028252102	LWXUZNGZAMDMIF-IAGOWNOFSA-N	247.426	4.711	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@H]2CC23CCC3)cc1	2032132958	SLPMJDBYDOWWQK-SWLSCSKDSA-N	242.362	4.573	0	10	BJAE	
CC(C)Cc1cccc(C(=O)C[C@H]2CC2(C)C)c1	2032427799	SUZFDOCXSRCHTH-HNNXBMFYSA-N	244.378	4.504	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNc1cccc2ccccc12	2032513288	GRPWIWMSGVWPCY-HIFRSBDPSA-N	239.362	4.688	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C1CC2(CC2)C1	2036191785	URMBKQYSUYXWNB-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCN(C)[C@H]1CCC2(CCCCC2)C1	2036770213	BWVRJOANFJHSLL-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@H](C)c1ccccc1	2036948466	BIRRRJVGTKOXGG-RDJZCZTQSA-N	247.426	4.739	0	10	BJAE	
CC[C@](N)(CCC(C)=C(C)C)c1ccccc1F	2037172108	RDFJFLCDGJANIY-INIZCTEOSA-N	249.373	4.526	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CC1CCC=CCC1	2037207378	VBKRXLWJUBISKU-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H]1C[C@H](C[C@@H]2C=CCCC2)CCC1(C)C	2037871985	SXNSXPUUWMKWDF-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C)c2[nH]c(C3(C)CCCCC3)nc21	2038006758	HYOUFJNOSFCTIO-RYUDHWBXSA-N	246.398	4.632	0	10	BJAE	
CCc1cccc(NC[C@@H]2CC23CCCCC3)c1	2039058617	NVABVSPVJUAJEK-HNNXBMFYSA-N	243.394	4.631	0	10	BJAE	
CCN[C@H](C1=CCCC1)[C@H]1CCCC(C)(C)CC1	2039384066	GOIAOOPDHUQASV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1CCC([C@@H](C)N[C@@H]2CCC23CCCC3)CC1	2040639246	SJQAWJSRAHRDDF-GYTBAZASSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]([C@]2(N)CCCC3(CCC3)C2)C1	2045392463	VCQRGJWYFZIRQG-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)C1	2045559814	FBDUZUHZGMMGQJ-HVQZGBDUSA-N	248.410	4.620	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CC2)C1(CCC)CCC1	2045817029	YPFPRKQEPDUTFS-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC[C@H]1CC12CCCC2)CC1CCCC1	2047009611	FCVZGTZROMPONP-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@H]1CCC12CCC2	2047940452	VJMLYWZMUKAOEU-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
O=C(CC1[C@@H]2CCCCC[C@@H]12)C1CCCCCC1	2048466431	XQOQLWBSJJPIIL-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@](N)(C1CCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049212043	OTNWDIWZPUTQLF-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2C=CCCCC2)C1	2049515617	SHHFCAUJHGIQKD-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)C[C@H]2CC23CCCCC3)CC1	2049681941	QSZVBFJWFXJLAT-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)CC1CCC2(CC1)CC2	2049844732	DCKBERLMPOWIQG-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@H]1CCCC2(CC2)C1)C1CCCC1	2049860702	BWDAHYHQPNCMLG-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@]1(C)C=CCCC1	2049997272	MIPNORPLNZCJLS-IAGOWNOFSA-N	244.378	4.590	0	10	BJAE	
CCCN[C@H](CC1=CCCCCC1)c1ccco1	2050522481	JLEIVTZCQHSDLY-OAHLLOKOSA-N	247.382	4.601	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CCCCC12CC2	2053348502	XMWCTTIPIXYZKC-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)C1CC(C2CCC2)C1	2056682603	MZCSUTQIWHKROJ-JEYLPNPQSA-N	246.394	4.518	0	10	BJAE	
CCC1CC(C[C@@]2(N)C[C@@H](C)CCC2=C(C)C)C1	2056711822	CCVOUBVWYFYVAF-GIOUXUJVSA-N	249.442	4.667	0	10	BJAE	
O[C@@H](C=C1CCCCC1)C1CC2(CCCCC2)C1	2056861834	CLIJIYRNOFAEII-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)C1CC(C(C)(C)C)C1	2056884001	RINQNUOWCONMJH-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCC)C1CC(CC2CC2)C1	2059251187	XNYUYZRPFXFUCH-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CCC[C@@H](C)CC1	2060922229	QFXUCNMWFYBFSX-DLTWYDFYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)C1=CC[C@@H](C)CC1	2060925634	MDRGEFOVXYVWBP-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)C1CC(C)(C)C1	2061083389	BUAGODOUAYKVRU-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@H](N)C(C)(C)C2CC2)CC1	2061088410	MRAWBIDUFIYZHM-ZFWWWQNUSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@](C)(N)[C@H]2CC2(C)C)CC1	2061114913	CKRJCRRFFJKFLP-HACGYAERSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@]1(CC[C@@]23CCC[C@@H]2C3)CCCCCN1	2061573951	BYGOSPIWFOMJKY-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@]12CCC[C@H]1C2	2061618004	SFBFDZZASRTOCA-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC[C@@]12CCC[C@H]1C2	2061618028	SGUNPYIRUQMRJW-TWMKSMIVSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC(=O)C1CC(=C2CCC2)C1)CC(C)(C)C	2061730166	FPKYTIPASXXSPG-LBPRGKRZSA-N	248.410	4.908	0	10	BJAE	
CCC[C@](N)(CC1CC2(C1)CC(C)(C)C2)C1CC1	2063205338	ZCNZKAQHDRUWJS-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CCCCCC1CC1)c1occc1C	2063676890	CZSADDJPKXOSHQ-INIZCTEOSA-N	249.398	4.513	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2C[C@@H]3CC[C@@H]3C2)C1	2068711358	SHIZQZOJMCJMEA-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC1([C@H](N)CC2C[C@@H]3CC[C@H]3C2)CCCCCC1	2068777120	FGJXYNOSSKKVKY-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)C2C[C@H]3CC[C@H](C2)C3)CCC1	2069278691	MJSCRMFMPKWREQ-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](C1CCCC1)n1ccc(C2CCCCC2)n1	2070131550	ODSGRNTXXTYSPU-ZDUSSCGKSA-N	246.398	4.682	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]2C2CCC2)cc(C2CC2)c1	2071792118	YPBMLCNKIOZUCT-DLBZAZTESA-N	241.378	4.555	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](NCC)c2ccco2)CC1	2072699757	BIVHHZGPCUXTOV-IIAWOOMASA-N	249.398	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2(CC3CCC3)CC2)CC1	2072871494	PKTQXTLCKPGDIC-HDJSIYSDSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(Cn2ccc3ccccc32)CC1	2072878937	QMFKUYMNMLLKGD-UHFFFAOYSA-N	241.378	4.858	0	10	BJAE	
CCC1CCC(CC(=O)c2c(C)coc2C)CC1	2072882156	SDKVYFZOWMFKDY-UHFFFAOYSA-N	248.366	4.686	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@]2(C)CCC(C)(C)C2)C1	2073047741	ZMGLDAJYWXKILK-JLJPHGGASA-N	249.442	4.537	0	10	BJAE	
C[C@H](C1CCC(C)(C)CC1)N(C)CC1=CCCC1	2075173053	PUJAHZYWDVDAIL-CQSZACIVSA-N	249.442	4.633	0	10	BJAE	
CCc1ccccc1CN(C)[C@@H](C)CCC(C)C	2075213973	VGLZPVAOSVQKAQ-HNNXBMFYSA-N	247.426	4.506	0	10	BJAE	
CC(C)c1cnn(C2CCC(C(C)(C)C)CC2)c1	2075230089	VLJOXNXPFNMVSA-UHFFFAOYSA-N	248.414	4.784	0	10	BJAE	
CC1(c2ccccc2N[C@@H]2C=CCCCC2)CC1	2075362560	KCZCFYLOVSQEHL-CQSZACIVSA-N	241.378	4.649	0	10	BJAE	
CC=C(CC)[C@@H](NC)c1ccccc1C(C)(C)C	2077189934	MZAKKBQKKGPBBY-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1c(C)cccc1F	2077196128	RIYVQHNNEDZDII-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C[C@H]2CCNC2(C)C)CC1	2077984485	QEWQAFCSUUWCAW-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1C[C@H]1CNc1ccc(C2CCC2)cc1	2079623261	FWNPFUUEIGNVLN-DOTOQJQBSA-N	243.394	4.658	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@@H]1CCC)[C@@H]1CC=CCC1	2079625838	GMEHQDLTOUUCIG-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@H]1C[C@H]1C1CCCCC1	2079866164	QNFSKLJUFVJBFS-WCVJEAGWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C=C2CCCCNC2)CC(C)(C)C1	2082973722	UHJFUYJLABTIEM-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CC[C@@H]3CCC[C@H]32)C1	2082981796	GMGICLOCOLGVMZ-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@]1(C)CC=C(C)CC1	2211857474	SBLWRTOWYBZFFH-UKRRQHHQSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H](CCCCCCCC1CC1)[C@H](C)N	2212462457	NARLINPWFFCFJM-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CCCCCCC2CC2)C1	2213580948	QPTJNENIJOTJOI-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC1=CC[C@](C)([C@H](O)CCCC(C)(C)C)CC1	2215818272	QDBMOBXBACOQLN-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCCCCC1CC(O)(CCCCC(F)F)C1	2216448254	ZMIHRQYPKKIJHL-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CC(C)CC(=O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216747145	KYKGIVAZPVPYSJ-KFWWJZLASA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CNC1CCC1)C1CCCCC1	2217134635	DCZKLEOZEHPQGP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@]1(CN[C@@H](C)CC)CCCC12CC2	2217156851	OHCYXSGYYRASQW-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](CN[C@H](C)CC)C1CCC1	2217157138	QMMRZSMEHSGPLS-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](NCCCCCCC1CC1)c1ccccc1	2218719258	WXPPMSOOOCLBGF-OAHLLOKOSA-N	245.410	4.698	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C1(C2CC2)CC1	2220030607	NRQLCERXDCJQQJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@@H]1CC[C@H]1C	2220520922	LSLNDPYEPSXYLC-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)[C@@]1(C)C=CCCC1	2220882116	WDZUIJBEARQPGX-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CC)C1(C)CC=CC1	2220883234	ZQEHHTWWJFVIGL-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C(CCC[C@H]1CCCCC12CNC2)CCC1CC1	2221540546	KUJZDEYIPLMINC-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2221644252	GACDWDMHWDBSMG-PNBKFKSVSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)CN(CCCCCCCC2CC2)CC1	2223115003	WDMCHAYBRAXHRO-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
C[C@@](N)(CCCCCCCC1CC1)C1CC=CC1	2223129456	CLBGLXKCLNKXOR-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc([C@H](C)[C@@H](O)C[C@@H](C)C(C)(C)C)cc1	2223967056	BMRTUXBAJMLJAE-YCPHGPKFSA-N	248.410	4.532	0	10	BJAE	
CCCCCC[C@H](N)CCCC[C@H]1C[C@@H]1C	2243066488	LYIIEIFVCIKWEL-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](N)c1csc(C2CC2)c1	2243492764	OIDAJGGRFSABNT-ZDUSSCGKSA-N	237.412	4.596	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1CCC=CCC1	2244780901	CREUEDPOZXXNOF-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](CC)[C@H](NCC)c1cscc1C	2244784395	UKSVUBKQQIHILL-OCCSQVGLSA-N	239.428	4.533	0	10	BJAE	
CCC(=CC[C@@H](C)CCCC(C)C)[C@H](C)N	2244844823	GXPMUKMQBNJCCU-KBPBESRZSA-N	225.420	4.523	0	10	BJAE	
CC[C@H](C)[C@H](O)CC[C@H](C)CCCC(C)C	2244852443	UMNQSWMRVAGZRK-QLFBSQMISA-N	228.420	4.636	0	10	BJAE	
Cc1ccc(OCCCC[C@@H]2C[C@H]2C)c(C)c1	2247117202	CMGOAKMDSVVHHI-UKRRQHHQSA-N	232.367	4.509	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H]1CCC1(C)C	2247412567	BCEULALERYWWAG-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCC[C@@](N)(CC)CC[C@H]1CCCC12CC2	2247604195	AEHCEAWTGZWEBN-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C(CN)C(C)(C)C	2250479087	PSWOHCJGIWDEHE-AWEZNQCLSA-N	239.447	4.770	0	10	BJAE	
CC(C)C[C@@H](O)CCC1CC(CC(C)(C)C)C1	2251532296	VEDUKJBHRQSHSK-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CCC1CC(C)C1	2251752434	ZMXZOAIQJQHXTD-KNIAUWFNSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CCC1CC(C)C1)C[C@@H](C)CC	2251756858	GZCASNVFAIEQTO-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(-c2nc([C@H]3C[C@H]3C)c(C)s2)cc1	2252757552	GXQNYNYHXLESRA-MFKMUULPSA-N	243.375	4.550	0	10	BJAE	
CC1CC(C)(C[C@]2(N)CC[C@H]3CCCC[C@@H]3C2)C1	2253656192	QZJSZFVINUSJML-LXJVZLBISA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)C[C@H]2CCCCC23CC3)CC1	2253834418	ZHNJUQXOYGLFQQ-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](CC[C@@H]1CCCCC12CC2)CC1CCC1	2253837254	DKUDDQQMBBTXCQ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NCC[C@@H]1CCCCC12CC2	2253893225	CCYNXFSVAKBFMA-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(OCC2CC3(CCCC3)C2)c1	2254082200	LQHNVCZJWLISTG-UHFFFAOYSA-N	244.378	4.598	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)CC1CCCCC1)C2	2254472696	KLHLZJJIPXRPHL-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(F)c(NCC[C@H]2CCCC23CC3)c1	2255278073	KLPNOJQGEFFELJ-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
Cc1cccc(NCC[C@@H]2CCCC23CC3)c1F	2255279512	ZHBLGZJHTCPXNQ-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc(C2CCC2)cc1	2259450247	ZGAZJGNRPNBYRK-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CCCC1(C[C@H](NC)[C@@]23CCC[C@H]2CC3)CCC1	2260493080	RSWLOLHXXZVIGD-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CN(C[C@]12CCCC[C@H]1CC2)C1CCCCCC1	2260613132	HJNRPJHZRJECMZ-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
C[C@H](C[C@@]12CCCC[C@H]1CC2)C1CCC(N)CC1	2260659574	XGPSMYBQAUQOOK-XRQWDYAESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCNc1cccc(C2CCCC2)c1	2260665845	ZAODRYZMNYVRIU-HIFRSBDPSA-N	243.394	4.802	0	10	BJAE	
CCCc1ccccc1OCCC(CC)CC	2300680404	DHLXGKUIZSRTSO-UHFFFAOYSA-N	234.383	4.844	0	10	BJAE	
CCC(C)=CCC[C@@H](CC1CCCCC1)NC	2300903566	FYDQJHQRQPCKFU-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2CCCCCC2)C1	2301142936	OGTCYLPJZMKFQG-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCCNC[C@H]([C@H](C)[C@H](C)C(C)C)C(C)(C)C	2301827613	CUDDZNAYBJYXNW-RBSFLKMASA-N	241.463	4.577	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@H](C)[C@@H](C)C(C)C	2301951704	CAGONINJAQCECR-SQWLQELKSA-N	241.463	4.719	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H](N)C2CCCCC2)C1	2302764202	VEASZZOJVRFLAD-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H](C)C(C)(C)C)CC1	2303591573	BHHXWZFWHPKNPJ-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@H]2CCCCC2(C)C)n1	2307685224	YACVRVZNVCMPJU-GRYCIOLGSA-N	249.423	4.950	0	10	BJAE	
CCC[C@H](CC)CN(CC)C1CCCCCC1	2307752903	WUKTUQUQYMXBTR-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)C1(CC)CCC1	2307909039	SBWKJSHUAMHZEC-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc2ccn([C@H]3CC[C@@H]4C[C@@H]4C3)c12	2309130031	MGHMWAPOIQGCAG-OAGGEKHMSA-N	239.362	4.565	0	10	BJAE	
CCCC1(C[C@@]2(N)C[C@@H]3CCCC[C@]3(C)C2)CC1	2311198054	PUPLTWVXCMGGFC-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@H](C)c1ccccc1	2316235732	NEWCVWQONGNZNM-PBHICJAKSA-N	247.426	4.595	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cc(C)cc(C)c1C	2316241885	YMMZMHJIUZSPBO-QGZVFWFLSA-N	247.426	4.828	0	10	BJAE	
CCCc1ccc([C@H](O)CCC(CC)CC)cc1	2316247011	ZRYCCKGHKNQQHC-QGZVFWFLSA-N	248.410	4.889	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC(C)C)CCCC12CC2	2316493693	ZHHLFKYUYGWOGK-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC=CC[C@@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2316509082	GDHWMKOZKPKWHQ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC(C)Oc1ccc(N[C@@H](C)[C@@H](C)C(C)C)cc1	2317820178	MQWULHLHEUFPNV-KBPBESRZSA-N	249.398	4.566	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@H]1CCC1(C)C	2317922692	LXIKJNLIHQDKOH-GFCCVEGCSA-N	249.373	4.797	0	10	BJAE	
C[C@@H]1CC[C@H](N)[C@H](CCCC2=CCCCC2)CC1	2318537041	DBULJZKRAAEVLK-UAGQMJEPSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)C[C@@H]2CC23CCCCC3)C1	2318995526	AIMXDKBEHCELDR-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@H](NC[C@@H]2CC[C@@H]2C(C)(C)C)CCC1	2320248166	FGBZBPBQVIOWCD-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(N)CCC[C@@H](C)CC2)CC1	2320329023	SCSQUGOXTXYDNX-KBRIMQKVSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CC[C@H]2CC(C)(C)C)CC1	2320346444	FKARUMWKUHTGDB-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
CC(C)c1cccc(C[C@H](N)CCC(C)(C)C)c1	2320647995	HCGAMRPTQQXWEY-MRXNPFEDSA-N	247.426	4.506	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)CCC3(CCC3)C2)C1	2321648455	KEZWPMIQPPYYAA-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2cccc(Cl)c2C)o1	20020545	UWTBKYJZKOKZTC-LLVKDONJSA-N	249.741	4.723	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)c1ccc(C)cc1	36792341	QQIDZNHITNBKJW-GJZGRUSLSA-N	233.399	4.614	0	10	BJAE	
CC[C@H](NCCCCCCC(C)C)C(C)C	37239456	NGYCSAQMABLAPN-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCc1ccc([C@H](C)Nc2ccc(C)cc2)s1	41202583	IRVLPAVMRQBQIR-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
Cc1ccccc1[C@@H](C)Nc1cccc(F)c1C	43319593	VMTIHNDVRDNHTF-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](CC)CC1CC1	69671300	CCXSCGSVAJYWRY-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@H]1C[C@H](C(C)C)CCC1=O	71083893	LFFZDASTPIJXEH-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CCCC2)c(Cl)c1	71085750	ZMPLMIKDHGUCDZ-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CCCc1ccc(-c2ccc(C)cc2)cc1	77921802	MYPHJNJOMQFYGS-UHFFFAOYSA-N	210.320	4.615	0	10	BJAE	
C=Cc1c(Cl)cccc1-c1ccccc1	77943262	TVJRGSJLQNCEDH-UHFFFAOYSA-N	214.695	4.650	0	10	BJAE	
Cc1ccc(NC2CCC(C(C)C)CC2)c(F)c1	104038992	RUHDRUJVXPBIIO-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCCCC[C@H](C)NC1CCC(C(C)C)CC1	104042425	OGTUITLLJKFQHY-FHERZECASA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H]1C[C@@H](CCC)CC[C@@H]1NCC	109664808	DMPMEIPEKLMOEY-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@@H](O)c1c(C)c(C)c(C)c(C)c1C	109784452	LQBCIYSIHFWOCF-DYZYQPBXSA-N	248.410	4.698	0	10	BJAE	
C1CCC(CCCNC2CCCCCC2)CC1	110236976	AWWWEEVMXGWEFQ-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@H](C)C(C)C	124760645	RDLCGVUVMZPBKQ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCCC1CCC([C@H](O)C(CC)CC)CC1	131756960	DJNHNKLTXHXLBR-AVVWSFFYSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)CC[C@@H](CNCC)c1ccccc1	155721170	YLKOLNGJSVPZEP-WBVHZDCISA-N	247.426	4.596	0	10	BJAE	
CC[C@H](C)C[C@H]1CCCCC[C@@H]1CNC(C)C	155822035	JWDKOBORCSTDFS-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H]1C[C@H](CC)CC[C@@H]1CNC(C)C	156071292	UFOSPVSBJPAEOE-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H]1C[C@@H](CC)CC[C@@H]1CNC(C)C	156071478	UFOSPVSBJPAEOE-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2c(C)oc(C)c2C)C1	166316008	MYGXCQZOZDHKHW-UONOGXRCSA-N	248.366	4.604	0	10	BJAE	
Clc1ccccc1CC/C=C/c1ccccc1	221314329	MFFSGDXMFLJLJY-ONNFQVAWSA-N	242.749	4.986	0	10	BJAE	
CCCCC1CCC([C@H](O)CCCC)CC1	229179734	KEEHTWMVBZDWLA-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)(C)C)c1ccccc1C	229429345	OPGXIEKQWMWMCP-ZBFHGGJFSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@H](C)[C@H]1CCC[C@@H](C(C)(C)C)CC1	229945844	KLTFIFGUQJUOBQ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](CNc2ccc3ccccc3c2)C1	230431832	PZIKUXCZDKOEKG-ZIAGYGMSSA-N	239.362	4.688	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@H](C(C)C)C2)c1	230985030	HHPXMGMWIFTYGA-HOCLYGCPSA-N	231.383	4.622	0	10	BJAE	
CC[C@H](C)C[C@H](O)[C@@H](c1ccccc1)[C@@H](C)CC	231991749	JSVBZGXYMXEQJJ-NXNVCVFFSA-N	248.410	4.613	0	10	BJAE	
Cc1cc(N)cc(-c2cc(C)c(C)cc2Cl)c1	232055903	YJGNPKIJMHRQDK-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCCC[C@@]1(CC)CNc2ccc(Cl)cc21	233000561	OAWVJPVCCCFNHA-AWEZNQCLSA-N	237.774	4.604	0	10	BJAE	
CC[C@H](C)c1c[nH]c2c(C(F)(F)F)cccc12	234024020	VRWAKHUCFPOVGQ-QMMMGPOBSA-N	241.256	4.700	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCCC[C@H]1C(C)C	250780764	SEDAEQZHDVUYQM-CWRNSKLLSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	250831383	RITHOBUTXYLORR-QXSJWSMHSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@@H]1CC[C@H](CC)C1	300471612	XGZNDKSXHOAAHO-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C1(C)CCCCC1	300834875	IWTMDPAUMYWBOF-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1ccc(Cl)s1	300901545	QYZRYWIUVBSEGB-SECBINFHSA-N	245.819	4.618	0	10	BJAE	
CCC(CC)(CCCC(C)(C)C)CNC1CC1	302319561	QHEOQRRTAGPKJY-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(Nc1ccc(F)c(Cl)c1)C(C)C	304503794	IWEMIZOYESHHQF-UHFFFAOYSA-N	243.753	4.572	0	10	BJAE	
CC(C)[C@H](CCC1CCCC1)CNC(C)(C)C	305905674	CQNACJZXFUHRSN-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CSc1ccc(Cl)c2sc(S)cc12	306833281	NQBWUBPTIBKTRG-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCc1c(SC)ccc2cc(Cl)sc12	307508695	ASDCVRRNKCZGPC-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)C1=CCCCCCC1	308057817	DGFANYAKYRXPIZ-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](NC)c1cc(C)ccc1C	308076193	NAWMRFKGEJSTEU-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H](CC(C)C)c1nc2c(C)c(C)ccc2[nH]1	308088340	MSZGGQHMCZIBJL-ZDUSSCGKSA-N	244.382	4.719	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2C=CCCCCC2)c1	310073764	QFYUXNUNUVAJCH-CYBMUJFWSA-N	249.785	4.949	0	10	BJAE	
CC1(C[C@@H](O)[C@@H]2CCCCC2(C)C)CCCC1	310348032	GKQVTFJVMGIDSJ-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)CC1(C)CCCC1	310449191	XQGZVSILNMNTFQ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)C1(CC)CC1	310751015	IFJICBDQUMAKIY-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CC1(C)CCCC1)c1cc(C)oc1C	311076924	VYXAWDXBPYJXDN-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCCC12CCCCC2	313062227	ZGHIAEJIMGWQJQ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)CC)CCC[C@H](C)C1	317560536	MAEIZAPLHRPHGZ-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CNC1CC1)CC1(C)CCC1	317717429	GOHDOTIYAKJDNZ-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@@]1(CNC(C)(C)C)CCCC[C@H]1C	318724097	LHMXUMNZWLYAFD-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCCc1nc2ccccc2n1[C@H](C)[C@H](C)CC	319541543	CHGHRXXMHMVDKQ-CHWSQXEVSA-N	244.382	4.596	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](CC)C2CCC2)CC1	324621354	CIGANLNECFIJGY-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC(N[C@H](C2CCC2)C2CC2)CC1	324630551	AHJDHVNPPUODTJ-QWFMPGPPSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@H]1CCCCC[C@H]1N)C1CCCCC1	380077542	DGMXTWHENPSXOA-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C)CC(C)(C)C[C@@H](C)c1ccccc1	384728775	JMMHZAOSGPWZQO-HUUCEWRRSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1NC1CCC2(CCCC2)CC1	388621113	FMOLEXHDYHCAQL-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCC[C@](O)(CC1(C)CCCC1)C(C)(C)C	395421466	GZQBVXIENPCQNO-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCc1cccc(CC)c1NC[C@@H](C)C1CCC1	398668066	QWZNCDXXEUQGDT-CYBMUJFWSA-N	245.410	4.660	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@@H](C)C(C)(C)C)cc1	399055556	ZITVIYQLNLSIHM-CYBMUJFWSA-N	246.394	4.750	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](CC1=CCCC1)NC	401129387	SATIFEBXADDRLX-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CCCC1CC1)CCC1CCCCC1	405740186	OWCFKJSFENBRHM-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@@](O)(CCC(C)(C)C2CC2)CC1	406056182	KKVLLTWNYJGPOY-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC(C)(C)c1ccccc1	686728144	DNXKLEULAOAYIN-HOCLYGCPSA-N	247.426	4.508	0	10	BJAE	
CCc1cc(N[C@@H](CC)c2ccco2)ccc1F	690101453	ALOZTAMDZCHCQG-AWEZNQCLSA-N	247.313	4.544	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CC(C)(C)C(F)(F)CC	691004539	YPJZDKPQANNJMY-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
C1=CCC(CCc2csc3ccccc23)C1	692112212	NRHCZIXFKVEVPI-UHFFFAOYSA-N	228.360	4.800	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H](C)C1CCC1	692810918	JETVQMCYVPSRLZ-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)c1ccsc1	696186675	LUHIIZXJNAQAQA-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cc(C)c(Cl)s1	697286379	JAMNUEXNPOEIRI-VIFPVBQESA-N	246.803	4.570	0	10	BJAE	
C[C@@H](NC1C[C@H]2CC[C@H](C1)C2)C1CCCCCC1	697668338	CXJWKPBQMOINKD-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CC(C1CC1)C1CC1	697825095	DWORJXOAMDOOST-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)[C@@H](NC)C1(CC(C)C)CCCC1	701182221	HHHLMLYLGBOMTJ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H]1CCCC[C@@H]1C	704916742	IGUYVBKULJELTK-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](N)(CCC(C)(C)CC)C(C)(C)C	704940484	KBKXNJFXKBNQMP-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)C1CC(C)(C)C1	706179816	HEUWTNLNINATGE-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H](C)CC(C)(C)C)cc1C	709277374	YGUGKLBPUJXYHG-CQSZACIVSA-N	246.394	4.867	0	10	BJAE	
CCCCCC[C@H](NCC)C12CCC(CC1)C2	710964611	CWVLTBRQZZVTAS-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCCC1CCC1)CCC(C)(C)C	711180060	AWSJDMFOQSKISH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H](CC(C)(C)CC)C1	713157749	CGERNHLWWQQNJS-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC1([C@@H](CC(C)(C)C(C)C)NC)CCCC1	713209485	AVAWCOCEVLUSFV-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3CCCC[C@@H]32)CC1	714313806	UEGAYZKHLOMNMM-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1ccc(Cl)s1	718533814	PRUVDKSGRCMYSS-JTQLQIEISA-N	243.803	4.538	0	10	BJAE	
CC(C)=C(C)C/C=C1\CCC[C@@H]1[C@H]1CCCCN1	718637064	YOUQOEFFEVLRKX-OSGGRZCESA-N	247.426	4.601	0	10	BJAE	
CC(C)=C(C)CCC[C@H](C)CNC(C)(C)C	718651907	KWLAWRORNMRSBO-ZDUSSCGKSA-N	225.420	4.537	0	10	BJAE	
CCC(C)(C)CC(=O)c1cscc1C(F)F	720305735	PTTGEUPVSOZVPC-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H](C)C1CCC1	720986529	FYVYILIDTBUSPE-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)C[C@@H](C)CC	723562896	MUPBNOINHKMLNB-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC1(CN[C@@H](C2CCCC2)C2CC2)CCCCC1	723965020	NNFYUELIMVRWCY-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)c1c(C)csc1C	724941899	ULUAUKDUFDHWMD-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)CC(C)(C)C	1205889220	BMQVGKHJCADJSQ-UONOGXRCSA-N	225.420	4.536	0	10	BJAE	
Cc1sccc1-c1cccc(OC(C)C)c1	1240500033	GJKFDMFFOJMEIJ-UHFFFAOYSA-N	232.348	4.511	0	10	BJAE	
CCCSC1CCC(c2ccccc2)CC1	1307392077	AVEOCACUSIUSTJ-UHFFFAOYSA-N	234.408	4.856	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@H]1CCCC(C)(C)C1	1656617789	MFKAEQYEYJCRHY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCN(C[C@H]1CC=CCC1)C1CCCCC1	1658198271	YFYODEFWCMCCQY-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC1(CN[C@H]2C[C@H]3CC[C@H](C3)C2)CCCCCC1	1662055873	OZBVAPJFZFPFKV-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)c1c(F)ccc(C)c1Cl	1889494069	PNAWUWRCBFOLCL-UHFFFAOYSA-N	214.711	4.691	0	10	BJAE	
CCN[C@H](CC=C(C)C)CCC(CC)CC	1900693622	PLNDCXGCAHIDMH-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
Nc1cscc1-c1cc(C2CC2)ccc1Cl	1901196652	KQLGGIKAUCSGFU-UHFFFAOYSA-N	249.766	4.528	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)CCC=C(C)C	1905379376	ABPHIRHDLRDTCR-CABCVRRESA-N	226.404	4.700	0	10	BJAE	
CCC[C@@H](CC)C[C@@](O)(CC)c1cccs1	1905380031	DAIKLVBHPPTUSE-OCCSQVGLSA-N	240.412	4.562	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H](N)[C@H](C)CC)CC1	1909704160	ZWRTXFZMEMBUQB-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
CCCC=CCNc1ccc2sccc2c1	1914665498	DKHJFUOJASXWOF-UHFFFAOYSA-N	231.364	4.670	0	10	BJAE	
CC(C)NC[C@@]1(C[C@@H]2CCC[C@@H](C)C2)C=CCC1	1916338486	XIFVZSGPSXMZLM-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC(C)CNC[C@]1(CC2(C)CCCC2)C=CCC1	1916380083	JOEGHINLPQOYTN-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)CC[C@](N)(c1ccccc1)C(C)C	1920491246	WBYSDUOGUIQHIR-QGZVFWFLSA-N	247.426	4.713	0	10	BJAE	
CCCOc1ccc(C[C@H]2C=CCCCC2)cc1	1925843837	OKSMOMXMISKCCN-HNNXBMFYSA-N	244.378	4.764	0	10	BJAE	
CCC(CC)CCNCC[C@H]1CCC[C@H](C)C1	1926159490	LOSJMUIDPNVNOH-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC(=O)CCC[C@@H]1CC1(C)C	1926178936	VUIOLODODZQASE-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)C[C@H](O)CCC=Cc1ccccc1	1926392658	GRUBAXHTUQQHRO-QGZVFWFLSA-N	246.394	4.667	0	10	BJAE	
CCCC[C@H](CCCCC1(C)CC1)NCC	1939121812	FQNCTIYDPSDGSS-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(N)C[C@H](C)C(C)(C)C	1940255087	DHONLUHHWYQYNP-XJKSGUPXSA-N	241.463	4.704	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)CCC(C)C	1940867441	MYFYEKDSVMAXQL-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CCCC(C)C)NCC	1941262235	BALWMHGOVSTQMJ-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](C(=O)CC1CCC=CCC1)C(C)C	1941797016	ROUMUBZBPCUHGS-OAHLLOKOSA-N	236.399	4.764	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1943044535	WBHGQNTTXFCPBA-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
CCCNC[C@@]1(C(CC)CC)CCCC1(C)C	1944481039	PLIAXSTUSRYHFV-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H]1CCC1(C)C	1945742016	JOUFCCMUSMNRKD-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](N)(C[C@H](C)C1CCC1)C1CCCC1	1949039564	DBMDWANRYHFBFF-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CC(C)(C)CC[C@H]1C	1949047709	WEXBIXZBIUFWFM-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
Cc1cccc(NC2C[C@H]3CCC[C@@H]3C2)c1Cl	1950292370	FUIASIYYVPRXLQ-VXGBXAGGSA-N	249.785	4.639	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H]1CCCC2(CC2)C1	1968270400	KLBDGPJARKXLPC-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
CC1(CCNc2ccccc2C(C)(C)C)CC1	1968321236	XYEHOIJRUALVGY-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCc2c(C)cccc21	1969352000	ZFBDRNLSNQSJBG-YOEHRIQHSA-N	245.410	4.541	0	10	BJAE	
CC[C@H]1CCC[C@H](NC2(C3CCCCC3)CC2)C1	1970596241	UNQSNVKFKXRVMQ-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@@H](N)[C@H]1CCCC(C)(C)C1	1978392795	ABBXHTFEZJGHGF-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
FC(F)c1cc(C[C@H]2C=CCCCC2)cs1	1978578010	MXXABVRCILBVRJ-JTQLQIEISA-N	242.334	4.975	0	10	BJAE	
CCCCC[C@@](C)(CCCC)CNCCC	1978648550	QAIHPOHOWDKFFJ-OAHLLOKOSA-N	227.436	4.763	0	10	BJAE	
CCCNC[C@@](CC)(CC(C)=CCl)C(C)C	1986399095	HERQYFHNQZGTSG-CQSZACIVSA-N	245.838	4.571	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@H](C)C(C)(C)C	1986938639	OTQKNNYFEXSOLU-HIFRSBDPSA-N	227.436	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)CC(C)C)CC1	1989839647	RGLPTQFCCQCDRP-HDJSIYSDSA-N	224.388	4.598	0	10	BJAE	
CC=CCCCc1ccc(CCCC)cc1	1992406196	OXRPUPDAQGPFHD-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
CC[C@@H](C1CCC(C)(C)CC1)[C@H](O)CC(C)C	1996552517	MJOFHVBHQASQMZ-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
Cc1ccsc1[C@@H](N)C[C@@H]1CCC=CCCC1	1999989711	CYLVBSBQBMGINB-KGLIPLIRSA-N	249.423	4.583	0	10	BJAE	
CN[C@H](CCC(C)C)C[C@@H]1CCC=CCCC1	1999991934	SICJSAAZINAEFV-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](C[C@H]1CCC=CCCC1)NC	1999994387	UQLVJJPNYKBLGQ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](O)C2(C)CCCCC2)C1	2000040392	DFWNUDNAYZBXQV-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CCCC1CCC1	2000294055	ONTSZLWWCATUMA-CJNGLKHVSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)C1(C)CCCCCC1	2000320992	OVDBGZFMJQJSNA-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)C1(C)CCCCCC1	2000373157	PRFKEIWGTLSJER-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@@]1(C)CCCC1(F)F	2002583185	QQMYCJUFKXAXFU-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CCC1CCC([C@](C)(O)CCC2CCC2)CC1	2002922937	DGYLBPPVXSCSTR-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)[C@@H]1CCCC(C)(C)C1	2002980848	ZUPYVFCEOUVOQN-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC1CCC2(CC1)CC2	2003200579	YQYXIZYIZOQDHX-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C(C)(CC)CC)[C@@]1(C)C=CCC1	2003320478	HOBWOBPNMBEDPU-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C(C)(CC)CC)[C@@]1(C)C=CCCC1	2003322616	RJPDZEDTYSZMSQ-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H]1CCC[C@H](C)CC1	2004226193	MBQDVGMTXHSOAR-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC(C)=C1C)c1ccsc1	2006923411	SKALLFFWBKFEJG-HUUCEWRRSA-N	249.423	4.678	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CCC[C@@H]1C(C)C	2007615871	NALQPGUWMVYYIR-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@H]2C=CCC2)CC1	2007681343	JLLXNICIFQZDKE-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@@H](CC)CC(C)C	2007944358	PSHBVLSMZUGHDQ-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCCCC[C@H]1NCC	2009609854	BLOWYLCQRCVXLF-BYQDXSGLSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)C1=CCC(C)(C)CC1	2010725081	GCLZOSCXCUKZMD-HIFRSBDPSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC[C@]12CCC[C@@H]1C2	2010983112	SJVCOCYBPGQJCG-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(O)C=CCC(C)(C)C1	2012055410	BKQUKMXQOUCFPV-BBRMVZONSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C[C@@H](C)C(C)C	2015275694	RWFHJAHHHMTNDO-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)CC1(CCC)CCC1)C(C)C	2015589071	NMJDYDAANZGIIE-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCCC1(C[C@@H](CCC(C)C)NCC)CCC1	2015643250	ZVDZWZRLAYTVAU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C1=C[C@H](Nc2ccc3sccc3c2)CCCC1	2019498881	UVDVWLQTYFEXDN-ZDUSSCGKSA-N	243.375	4.812	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1Nc1cccc(Cl)c1	2021072553	AQRQPCPBYDTOIL-COPLHBTASA-N	249.785	4.577	0	10	BJAE	
CC(F)(F)CCCCC(=O)C1(C)CCCCC1	2023344080	MZNFFWLIKLCLJY-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCC[C@@](N)(C1=CCCCCC1)c1ccccc1	2026896049	BJERZMNQOFCHSP-QGZVFWFLSA-N	243.394	4.531	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)C(C)(C)C1CC1	2028105919	UZHPHESWACFFEI-MRXNPFEDSA-N	245.410	4.507	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CCC[C@H](CC)C1	2035594651	UXKFJLMCOHFNPI-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@](C)(N)c1cccc(C2CCC2)c1	2037090349	OGIRFPLFOZVTTL-QGZVFWFLSA-N	245.410	4.708	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C[C@H](C)CC(C)C)cc1C	2037105879	UDAJPVPUQFYHDE-PXAZEXFGSA-N	247.426	4.684	0	10	BJAE	
NC1(C[C@H]2CC=CCC2)CCCCCCCCC1	2037158622	BOAUFFBWZUQAIB-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
Cc1ccc(C)c2[nH]c([C@@H](C)CC(C)(C)C)nc12	2038003417	WJAICHRGEZYLKS-LBPRGKRZSA-N	244.382	4.719	0	10	BJAE	
O=C(CC1CC2(CCC2)C1)C1CCCCCCC1	2038081080	ODBCNTJUWCIXLQ-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCCNCC1(C[C@@H]2C=CCCCC2)CC(C)C1	2038896934	HOJYWHFMIOBQCZ-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)[C@H]1CC12CCCCC2	2039079629	SOWFTGZXZKXODL-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCCC2(CCC2)C1	2041299141	GYPRDHWGGVTWOJ-ZDUSSCGKSA-N	247.357	4.659	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](NC)c1ccccc1C1CC1	2042292340	HASOBFYMIJWSHM-AHIWAGSCSA-N	245.410	4.507	0	10	BJAE	
CCC1([C@@H](C[C@H]2CC23CCCC3)NC)CCCC1	2047008758	ORTZOGKLIGTFRO-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@]1(N)CCCCC12CCCCC2	2047559373	GJSORGKBOWMSMQ-KRWDZBQOSA-N	247.426	4.731	0	10	BJAE	
CC(C)[C@H]1CC[C@H](NC[C@@]2(C)CC=CCC2)CC1	2047723793	OTEQUIFVCLQLPL-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)[C@@H]1CCC12CCC2	2047939465	NJSZWRBCKGAOLX-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C[C@H]1CCC12CCC2	2047943718	SXRXQAAYDGPNPQ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@](CN)([C@H]2C=CCCCCC2)C1	2049491614	AYKMXXSOSCIFAJ-DOTOQJQBSA-N	249.442	4.668	0	10	BJAE	
C1CCCCC(NC[C@]23CCCC[C@@H]2C3)CCC1	2049669971	PDGGCXVVLWKEQD-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
NCC1(CC2CCC3(CC2)CC3)CCCCCC1	2049850821	ALZTWJMPGQILBM-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CCC3(CC3)C2)C1	2049953845	ICYUFHPNJQSCCY-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1(CC[C@H](N)c2cccc(F)c2)CCCCC1	2050493288	WOEWWYRWZDOSPV-HNNXBMFYSA-N	249.373	4.576	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC[C@H]2CC[C@H]21	2052285814	CUKINQNIGRFZQS-YSVLISHTSA-N	243.394	4.630	0	10	BJAE	
CCCCCC1CCC([C@H](N)C2CC=CC2)CC1	2053664953	QBDAOPOWLNUTEQ-BDVYOWHSSA-N	249.442	4.667	0	10	BJAE	
CC1(F)CCC(Nc2cccc(C3CC3)c2)CC1	2053910915	LPECCPFZMGQJFQ-UHFFFAOYSA-N	247.357	4.647	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@H]2C=CCC[C@@H]2C)C1	2055568218	SUTPKMKVFWJODZ-QAETUUGQSA-N	249.442	4.536	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H]1C(=O)CC1CCC=CCC1	2056451047	NKLZCSRQIONHDO-CVEARBPZSA-N	248.410	4.764	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2059004071	UDITVXFEUSOEEN-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@@H](O)c1cc2cc(C)ccc2o1	2059220899	GJGDIVMLDIPLTM-CQSZACIVSA-N	244.334	4.521	0	10	BJAE	
CC=CCCC[C@@]1(CNCC)CCCC12CCC2	2059250374	PYDMNLWRVITPON-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)c1ccc(CC)o1	2059255585	IUDLIBDMDCZWBK-SZTZYQKNSA-N	249.398	4.629	0	10	BJAE	
CCCCCC1CC(Nc2cccc(F)c2C)C1	2059398458	UZWYNUGIUCDTKO-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CN[C@H](C1=CC[C@@H](C)CC1)C1(C)CCCCCC1	2060920993	IFUOYCVVUXSDPB-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C[C@]12CCC[C@H]1C2	2061621355	FMZCXONADPXMIH-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)c1nc2c([nH]1)[C@@H](C)[C@H](C)CC2	2061878981	NHWWWEFDQZOZFC-NEPJUHHUSA-N	248.414	4.563	0	10	BJAE	
CC1(C)CCC([C@@H](N)CC23CCC(CC2)C3)CC1	2065272724	KXIACWDCEPDPQR-GULBITTBSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(N(C)CC2(C(C)(C)C)CCC2)cc1	2071921546	IVCBZAHKYYNDCI-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1CC2(C1)CC21CC1	2072235136	WCHUJWLZRAWCDZ-GNHJJJEISA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C(=O)c2cc(C)oc2C)CC1	2072700211	IBMQWKWMCGRUJX-UHFFFAOYSA-N	248.366	4.686	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@]23CCCC[C@H]2C3)CC1	2074024936	LDINLEBSIBVWSP-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CNCC1(C[C@@]23CCCC[C@@H]2C3)CCCCCC1	2074034789	SSNWHCZKONWXBV-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
c1cc(NC[C@]23CCCC[C@H]2C3)cc(C2CC2)c1	2074046299	JQZXYLHTZVQOIR-DOTOQJQBSA-N	241.378	4.556	0	10	BJAE	
CCC1(C[C@]2(CNC3CC3)CCCC2(C)C)CC1	2074624131	OGSRNPMPVPZNTO-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@]1(C)CCCN(CCC2=CCCCC2)CC1	2075148153	LZYQHWMHELUBHN-QGZVFWFLSA-N	249.442	4.779	0	10	BJAE	
CCCC1(CC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1	2079487138	QFWZHMUZSYFXEH-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(OC[C@H]2C[C@@H]2C2CCCC2)cc1C	2079803202	MEBRZIWJJPEEKC-NVXWUHKLSA-N	244.378	4.509	0	10	BJAE	
CC1=C[C@@](N)(CC2CC(C)(C)CC(C)(C)C2)CC1	2082975452	IYFDGRJVYRHIRT-QGZVFWFLSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC(C[C@@H](N)c2ccoc2)CC(C)(C)C1	2082992447	ZIOWKSXTXCXMFQ-CQSZACIVSA-N	249.398	4.522	0	10	BJAE	
CCC(C)(C)[C@H](N)CC1CC2(C1)CC1(CCC1)C2	2083613921	SAAYIJOXKDWGOU-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)[C@H](N)CCCCCCCC1CC1	2210525057	LKCGPNBTKTXMIZ-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C(=Cc1ccccc1)C[C@@H]1[C@H]2CCCC[C@H]21	2210662984	VZPLZVCXYDXKBZ-ZSHCYNCHSA-N	212.336	4.526	0	10	BJAE	
Cc1ccn([C@H](C)[C@H]2CCCC(C)(C)C2)c1	2211149703	XGIDXMISIBGIHL-KGLIPLIRSA-N	219.372	4.574	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1sc(C)c(C)c1C	2211701808	DRJFNPRQMCNEAT-DTWKUNHWSA-N	238.396	4.538	0	10	BJAE	
CC[C@H](C)NCC1(CCC(C)(C)C)CC=CC1	2217153893	PEQRBQLCSDGDEP-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
C(CCCN1CC2(CCCCC2)C1)CCC1CC1	2218734286	CZRNSCPFIVGVNX-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)C/C=C/c1ccccc1	2219084582	HWYAVDWIFDOWNW-FMIVXFBMSA-N	244.378	4.731	0	10	BJAE	
CC1(C(=O)CCCCCC2CC2)CC2(CCC2)C1	2220999196	HDDINGNJFJJROG-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1(CC(=O)[C@H]2C[C@@H]2C(C)(C)C)CC2(CCC2)C1	2221074847	AEVHBDBCRDPKMP-STQMWFEESA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2221632388	QLBRMQVVNAJTRV-HMDCTGQHSA-N	249.442	4.523	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CCC[C@@H](C)[C@H]2C)CC1	2221643628	OCQMEAULLXQZIV-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](CN)(C[C@@H]2CCCC(C)(C)C2)CC1	2221665148	FAIDKYMHSDXJAW-NVXWUHKLSA-N	249.442	4.668	0	10	BJAE	
Cc1ccc(C2CCCCC2)cc1CNC(C)C	2221805872	HCRKNLKVBQZWES-UHFFFAOYSA-N	245.410	4.541	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](NC2CC3(CCC3)C2)C1	2222261432	CAKSSFXVXBQROK-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
C=C=CCC[C@@H](NCC)[C@H]1CC[C@H](CCC)CC1	2222294466	WIJCFSZSFWFCRD-BRWVUGGUSA-N	249.442	4.692	0	10	BJAE	
CC(C)=CC[C@H](N)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222948836	KSBASLASJVGUQM-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1c(C)sc(C)c1C	2243612110	IYKOUEIFJPOEKT-CYBMUJFWSA-N	240.412	4.533	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC[C@H]1CCCC12CC2	2247612410	UTPOPVVLKQEYNQ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)c1cc(C)c2sccc2c1	2248580145	UXAACIMEQADLRG-QMTHXVAHSA-N	247.407	4.646	0	10	BJAE	
CCC[C@H](C)[C@H](CCCCC[C@@H]1C[C@H]1C)NC	2248822895	UHBRHYZJNRNHSG-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@](C)(O)CCCCC[C@H]1C[C@@H]1C	2248869984	KVMYKNFTRAEQKC-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H](C)C(C)(C)C)NCC	2250359013	PTCQDBNUHOMRGY-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CNC(C)(C)C1	2250469191	MDFSRZZKGGQESV-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](N)(CC[C@H](C)CCCC(C)C)C1CC1	2250477431	XNJPSBQPFMYTCY-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H]1CC[C@H]1CC[C@H](C)CCCC(C)C	2250478509	JUHAVLHUCKRAQF-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](CO)CC(C)C	2250488843	RPHMPOFAUAMJQW-JKSUJKDBSA-N	242.447	4.884	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@]1(O)CCC[C@H]1C	2250496030	NZHOBTZQYXFFNX-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)[C@@]12CCCC[C@@H]1CC2	2251119745	VRPRPDVGNGHAEF-SQWLQELKSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@]12CCC[C@@H]1CC2	2251217174	FSXXDAFHQZWYGA-PMPSAXMXSA-N	238.415	4.678	0	10	BJAE	
Cc1ccccc1NCC[C@H]1CCCCC12CC2	2253889716	GOSJDRZFZFCXOB-OAHLLOKOSA-N	243.394	4.767	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](N)C2CC3(CCC3)C2)C1	2253931226	PTRKOQJVOHBUJY-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@H]1CCC[C@@H](C)C1)C1(C)CC=CC1	2254000019	ARGWQJNXBBOBNL-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)CC1CC2(CCCC2)C1	2254125727	QJUWEFCHNBDRCI-GOEBONIOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)[C@@H]1CC2CCC1CC2	2254610923	PQKHBEZCKZIHMA-OPKDVZQQSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)CC[C@@H]2CCCC23CC3)C1	2255262950	BBORYFXWODTFQR-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(C(=O)CC[C@H]2CCCC23CC3)C1	2255307696	CAEPGBVUKIMUNA-NPCAHTBFSA-N	248.410	4.742	0	10	BJAE	
CC1CC2(C1)CC(C[C@@]1(N)CCC[C@@H](C)CC1)C2	2259576732	OVJCLOWZTLKQND-AREZLUIZSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@@]23CCCC[C@@H]2CC3)CCC1	2260550047	QWFXGENFSKGVBS-RHSMWYFYSA-N	248.410	4.886	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@]12CCC[C@H]1CC2	2260607419	RSLCQVRNCWVLIF-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1C[C@H]2CC[C@@H]1C2	2298609072	PPVURHUPEXQAFY-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CNc2c(C)ccc(C(C)C)c2C1	2300495786	BIIBYWKMHAJPCY-CYBMUJFWSA-N	231.383	4.503	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@@H]1CCC[C@@H](C)C1	2300503237	JXXPSWCJYPCCQE-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1CCCC[C@@H]1CC	2300680816	IEPUFEPDEJPCNK-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)CC=C(C)CCCC(C)C	2300877385	PWNWOVCEYQKIEY-HUUCEWRRSA-N	236.399	4.764	0	10	BJAE	
CCC(C)=CCC1(N)CC(C)(C)CC(C)(C)C1	2300887852	KUCMZDZVWLFFEU-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H](C)[C@@H](C)C(C)C	2301960781	DXUZKKZLBBMNCZ-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC1(C)CC[C@H](CC2(CO)CCCCCC2)C1	2302718944	FAWKLAVYEJIQFF-AWEZNQCLSA-N	238.415	4.536	0	10	BJAE	
CCC[C@@H](CC)C[C@](O)(CCC(C)C)C1CC1	2307844548	OCFHIMAPKQHTEX-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@]1(C)CC=C(C)CC1	2307902064	IMYZCHLPSUBRAP-GOEBONIOSA-N	236.399	4.908	0	10	BJAE	
CC1(CN[C@H]2CC[C@@H]3C[C@@H]3C2)CCCCCCC1	2309539940	JKMOMDQHNAKMAF-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)[C@@H]2C[C@H]2C(C)C)cc1	2311503029	XUOZIRFPRUWNPJ-KKBVYLPWSA-N	246.394	4.526	0	10	BJAE	
CC1(C)CC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCCCC1	2311570855	BOKRYKGNELCCHZ-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)C[C@@]12CCC[C@@H]1C2	2312997535	KENZADOJVRZAMT-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313349145	SUIAPRHNISGINZ-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CN(CC1CCCCCC1)C[C@]1(C)C=CCCC1	2316879305	RNUNPXNDKFBJJN-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CN[C@@H]1CC[C@@H](C)C[C@@H]1CCCC1=CCCCC1	2318573855	WZLLIWINSSJNPR-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCC1=CCCCC1	2318575953	KHIZGQOVZVSENL-PVAVHDDUSA-N	247.426	4.530	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)c1cocc1C	2318582193	AAFZTNQCYCCXNL-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
CC1(C[C@H](N)CCCCC2CC2)CC2(CCC2)C1	2318873518	AGLKPMQFMRGSHX-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)CC1=CCCC1	2318944438	QDDLYYGDYOPNKD-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1	2319288736	LOGCPEVCTDOOGI-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
O=C(CC[C@@H]1CC[C@H]1C1CC1)CC1=CCCCC1	2319750382	RNWQKAIKDWVWCE-WBVHZDCISA-N	246.394	4.662	0	10	BJAE	
CC1=C(C)C[C@](N)(CC2C[C@H](C)C[C@@H](C)C2)CC1	2320393740	ITZHOLBVKYTMDV-XNJGSVPQSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)CCCC3(CC3)C2)C1	2321646343	WLYFQVRWVLEQKG-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H](N[C@H](C)CCC(C)C)c1ccccc1	19233381	LWXJRTDKHQLFIL-NVXWUHKLSA-N	247.426	4.942	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)c1ccccc1	20358694	JOIDDIOTZMVSHC-HUUCEWRRSA-N	233.399	4.696	0	10	BJAE	
CCc1ccc(N[C@@H](CC)C[C@H](C)CC)cc1	21008770	AMHDAOUKXGXTSY-HIFRSBDPSA-N	233.399	4.876	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc(Cl)cc1	21810068	CITHGNWPRPEPNQ-YPMHNXCESA-N	239.790	4.967	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)c1cccs1	35545352	ULNUIWZFGIAFCI-JSGCOSHPSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCCC[C@@H]1C(C)(C)C	37271876	IRYFWHJQRQSFMZ-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
Cc1scc(N)c1-c1ccc(C(C)(C)C)cc1	49833943	HWPOCIXITJADSP-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
CCCCCC[C@@H](CC(C)(C)C)NCCC	68890700	LZNODVGPRUYITJ-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1cccc(Cl)c1	70558316	CPGGPRAAJXSKLN-RISCZKNCSA-N	237.774	4.721	0	10	BJAE	
CC(C)(C)c1ccccc1-c1ccc(C=O)s1	71174734	GTMVLGDRMKGUKP-UHFFFAOYSA-N	244.359	4.525	0	10	BJAE	
Cc1cc2nc(Cl)cc(C(C)C)c2cc1C	77255198	QZZNTWPNUDVHJQ-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
Cc1ccc(C(=O)[C@@H](C)C(C)C)c2ccccc12	79904136	GMCQSAVLVAKFAU-ZDUSSCGKSA-N	240.346	4.623	0	10	BJAE	
C[C@H]1CC[C@@H](C)[C@H](Nc2ccccc2Cl)C1	82857379	CFDXCNYUQZHVPT-MISXGVKJSA-N	237.774	4.577	0	10	BJAE	
CCCCCC[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C	87163531	UVDIFFZYVVMZIG-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](C1=CCCC1)C1(CC(C)C)CCCC1	94900975	OZLFSGOGPUXHMH-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](NC1CCCCCCC1)[C@H]1C[C@@H]2CC[C@@H]1C2	101283520	XLCJGOZXECBQNM-KCYZZUKISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCCC)C1=CCCC1	110230261	DJHFPVKNEBSZIU-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
Fc1ccc(C(F)(F)F)cc1-c1ccccc1	112734588	CHASCIBSWSMEOQ-UHFFFAOYSA-N	240.199	4.512	0	10	BJAE	
CCC[C@H]1CCC[C@@H](N[C@H](C)c2ccco2)CC1	160777525	SJMRSVPBZAIEHT-QLFBSQMISA-N	249.398	4.679	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)c1cccc(C)c1	203416040	XFPDEKMOCMVXSB-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)c1sccc1C	228739301	ZPFOKKZOUBHQDL-CHWSQXEVSA-N	239.428	4.663	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](C)[C@@H](O)c2ccccc2)C1	229084684	XJODOGITTVZACA-TXCZRRACSA-N	246.394	4.573	0	10	BJAE	
Cc1cccc([C@@H](O)C[C@@H](C)CC(C)(C)C)c1C	229347386	HAJZGHXKLFWNCL-WBMJQRKESA-N	248.410	4.799	0	10	BJAE	
CCC1CCC(C(=O)c2c(C)cccc2C)CC1	232915704	HNLBGPRYTFSRPD-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)C[C@H]2C)c(C)c1	235317522	SLHSOBNAPTZVRM-UKRRQHHQSA-N	231.383	4.540	0	10	BJAE	
CCC(CC)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O	250786448	WZKPHRVBKMXYAD-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCC[C@@H](C(C)C)C1	300316872	XEIXIQYCSSKMCG-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C(CC)CC	300872539	NLELXCDRGZVGPV-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(C[C@H](C)CC(C)C)CC1	302374884	OYBISABDLULOOH-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(C[C@@H](C)CC(C)C)C1	302375114	PACOWIJFCDMUPL-ARFHVFGLSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cc(C)c(C)cc1C	304202880	IEYABRGMBVNUQN-NSHDSACASA-N	232.367	4.621	0	10	BJAE	
Cc1ccc2ccn([C@@H]3CC[C@H](C)[C@H](C)C3)c2c1	305668879	XKRRBIYJKTXHLQ-SQWLQELKSA-N	241.378	4.947	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NCC)C1CCCC1	308047642	ITHWRHJEQUTHFD-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@H](CCC)CC(C)C	308059675	STIQHUFLUVTJEC-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(O)CC1CCC(C)CC1	310100018	BBKULHBXKDLUEB-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@H](C[C@@H](C)C(C)(C)C)NC)CCC1	310126426	JJDGWIRLCXHAQK-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@H](C)CC(C)C)C1(C)CCCC1	310251517	OCHLDUXCICMKGU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)c1occc1C	311177587	WVXFVAFTBGGZQN-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CCC[C@@]1(CNC(C)(C)C)CCC[C@@H](CC)C1	317951559	IERARZKXGMBJQG-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(C)(C)C)NCC/C=C\c1ccccc1	322851884	ADDOXIBWHWXCCO-LDCOFTPGSA-N	245.410	4.504	0	10	BJAE	
CCC1(CN[C@H]2CCCC23CCCC3)CCCC1	328121790	RIGHFBBLDVHWSJ-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](NCC2=CCCCC2)CC1	379584127	UBODYCHDHDKVNX-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(OCC2CCC(C)(C)CC2)c1C	381035916	UOFMFCVHPKUOEO-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
Cc1ccc(C)c(NC[C@H](C)C2CCCCC2)c1	381044911	OFARUBSHKMYMHN-HNNXBMFYSA-N	245.410	4.932	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](C)[C@@H](C)CNC(C)(C)C	382667310	PDRPRZVBRGBUMT-ZNMIVQPWSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](CCC[C@H](C)c1ccccc1)NCC	384737264	KULRDKNBJHYZRS-DOTOQJQBSA-N	247.426	4.739	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@H](C)CC1)C1CCCC1	387556340	VZKGTGQPGIKKME-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
Cc1cc2sccc2c(C(F)(F)F)c1C	396204322	XDGPEJGCAGIWDZ-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1C)[C@@H]1CC1(C)C	397594654	KYYMELOREZNVKK-UONOGXRCSA-N	231.383	4.540	0	10	BJAE	
CCC[C@H](N[C@@H](C)[C@H]1CC1(C)C)c1ccccc1	397631904	OMLVUIJDGRKJNP-IMJJTQAJSA-N	245.410	4.552	0	10	BJAE	
CCN[C@@H](C[C@H]1CC=CCC1)C1CCC(C)CC1	402150467	MFBFFUSGXXUIMO-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)CC(C)(C)C	402203231	JCMIEKFDHBQXAD-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC1(C(=O)CCC(C)(C)C2CC2)CCCCC1	405879634	KPPYLARKHJDJIA-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC1CCCCC1)NCC1(C)CCCC1	689751387	CSFIENLWCKMYTF-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H](C)[C@H]1C[C@H]1C	690207396	QBOTZZKQTWLUEM-IOASZLSFSA-N	245.410	4.576	0	10	BJAE	
CCCC1(C(=O)CC(C)(C)C(F)(F)CC)CC1	691063442	WUZZNAHSLHAAIM-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCc1cccc(N[C@@H]2CCCCC[C@@H]2C)c1	691070101	HTCBLNRUBVIWPT-XJKSGUPXSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCCCC2CCCCC2)C1	694053682	PFTYWYHKZJRJFU-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CCC(C)(C)CC	696804995	DCQOIUQWEQMGMG-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@@H](C)CC(C)(C)C	704584313	JGSGLRKMFBBKHS-QWHCGFSZSA-N	228.420	4.636	0	10	BJAE	
CCCc1cccc([C@@](N)(CCC)C(C)(C)C)c1	704929619	PNBXWIJJGFTSGU-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC(C)(C)C)[C@H](C)C(C)C	708318990	QVUWLIJNIIVSKB-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)(C)C)C1(C)CCCC1	709101476	JFKPEYXXZODFMU-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@H]1CNc2ccccc2C1)CC(C)(C)C	709155420	MUQUTTMXEOTOPT-KBPBESRZSA-N	245.410	4.733	0	10	BJAE	
C[C@@H](CC(C)(C)C)CC1(N)CCC2(CC1)CC2	709170756	VXXPGDODIVXEIH-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
Clc1ccccc1N[C@H]1CCCC[C@@H]1C1CC1	710174158	VBYHLNMKJYXELK-OCCSQVGLSA-N	249.785	4.721	0	10	BJAE	
CCC(CC)(CC)CNc1csc(C)c1	710711399	RBHIMFIHLUQNCK-UHFFFAOYSA-N	225.401	4.685	0	10	BJAE	
Cc1cc(NCC2CCCCCCC2)cs1	710760348	SCKQWLNZYJYFAY-UHFFFAOYSA-N	237.412	4.829	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C12CCC(CC1)C2	710956382	ZXSIBZGEGDBVFY-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](N)C[C@H](CC)C(C)(C)C	711106826	RNFWTMHOBYGMLO-KBPBESRZSA-N	227.436	4.747	0	10	BJAE	
CC(C)(C)C[C@H](O)C1CC(C)(C)CC(C)(C)C1	713171146	LHQJATPLGMIJDH-ZDUSSCGKSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C\CCC(=O)c1csc2ccccc12	713675684	VHVQFUQKUHUQOS-ARJAWSKDSA-N	242.343	4.606	0	10	BJAE	
C=C/C=C/CC[C@]1(CNCCC)CCCC[C@@H]1C	713718136	LGDBKTIDMPCXKV-YMPXZSTISA-N	249.442	4.705	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)CCC(C)(F)F	714035932	RIMFASKWGUMVIK-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC1(CN[C@@H]2CCC[C@@H]3CCCC[C@H]32)CCC1	714260922	YOURCEWEFLNUJH-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CSCc1ccc(CCC(C)=C(C)C)cc1	718646431	OIXCGVVEUOBYIX-UHFFFAOYSA-N	234.408	4.839	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@H]1C)C(CCC)CCC	722692209	CZUGCXHTIFPSKR-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C[C@H](N)CC2CCCCCC2)C1	723569559	YXHHKUOEMRYSHX-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC1CC(C)(C)C1	723579032	OKZHSSOLNFCCGK-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCC2(CC2)C1)C1CCCCC1	723600563	IRMLUHUIXDFPCW-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H](C(C)(C)Br)CC(C)(C)C1	725261331	HNMAVCHNTCFHKF-VHSXEESVSA-N	247.220	4.622	0	10	BJAE	
C[C@H](CN1CC[C@H]1c1ccccc1)CC(C)(C)C	1473207394	QQYJVIFGYKGYOE-HOCLYGCPSA-N	245.410	4.506	0	10	BJAE	
C1=C(CCNC2CC3(CCCC3)C2)CCCCC1	1652127674	JKKNRUAITSSIMS-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCCC1CCC(NCC2(C3CCC3)CC2)CC1	1875413203	WEWMCMHCSDAFLD-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCCC[C@@](C)(F)C(C)(C)F	1893738409	DPUUEGWYPSUEPJ-BTDICHCPSA-N	204.304	4.599	0	10	BJAE	
CCC(CC)CC[C@H](NC)c1sccc1C	1900690771	KLASMDGYVRKRNT-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC(=CC[C@@H]1CCCC1=O)CCCC(C)C	1900867373	VVSBHDVQUUCDOT-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@@H](C)[C@@H](C)C(C)C	1901682096	KXAUNYXXELBRMR-RYUDHWBXSA-N	240.774	4.708	0	10	BJAE	
CCC[C@H](CC)CC[C@H](NC)c1cccs1	1905435548	RULVLVDOYXMLJC-STQMWFEESA-N	239.428	4.615	0	10	BJAE	
CCCC1CC(C(=O)C[C@H](CC)CCC)C1	1905446949	VOKSEZBWQNRVJO-IYXRBSQSSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1coc2c(Cl)ccc(Cl)c12	1907244243	MCXFGOXJUGQSFI-UHFFFAOYSA-N	229.106	4.863	0	10	BJAE	
CNCC(=C[C@H]1CCC[C@H](C)C1)C1CCCCC1	1907324668	SKUQORXFEMYKHN-GJZGRUSLSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1cccc2ccsc12	1910661580	UXYRYQORFUILPM-DGCLKSJQSA-N	244.359	4.520	0	10	BJAE	
CC=CC[C@H](C)c1ccc2c(c1)CCCC2	1911889670	GNAMXQVOBULZOO-ZDUSSCGKSA-N	214.352	4.635	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CCC=Cc1ccccc1	1912119418	VIUPECOPZIHUCC-INIZCTEOSA-N	245.410	4.634	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(CNC(C)(C)C)C=CCC1	1916375895	DJNAWPVJTRKLKD-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCC1CC(C(=O)c2cccc3ccsc23)C1	1921319470	IQVXTJBBUCCPDU-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1CCCC12CCC2	1921620464	PDFZODICUKRMBR-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@@H](C)C1CCCC1	1924114562	AIKIUABJGWCHOL-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H](C)C1CCCC1	1924126074	PKJMTUZBALZWPL-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCCC1)C[C@@H](C)C1CC1	1925916123	SDDFEZYXJQFYAW-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)CC(CC)CC	1926153939	XELOIPLLOWWOJW-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C(=O)C[C@@H](C)C(C)(C)C)C(C)C	1936209039	NKKPXIASRCRODV-CHWSQXEVSA-N	226.404	4.700	0	10	BJAE	
CCCCC[C@H](NCC)[C@H](C)CCC(C)C	1937162825	FDJAZQQOGULRML-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H](O)[C@H](CC2(C)CCCCC2)C1	1940412594	HPGPLWRTGVELHN-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
c1cc(N[C@@H]2C[C@H]3CCC[C@H]32)c2sccc2c1	1940418778	XQTYWSOAYGXSJU-YRGRVCCFSA-N	243.375	4.502	0	10	BJAE	
CC(C)(CCC(=O)CC[C@H]1CC1(C)C)C1CC1	1940852498	GFFPPFQJQANZBK-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC[C@@H]1CC1(C)C)NCCC	1940857489	XQTCLTZQIHZONB-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](O)CCC1CCCC1	1941244426	WMDYRHRTQVQLTK-HOTGVXAUSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@H](C)N[C@]12CCCC[C@H]1CCC2	1944191124	ZPYQRPVJENVOCU-JYJNAYRXSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCC[C@@H](O)C(C)(C)C1CCCCC1	1944619843	ZLJZTJVZRSJNFD-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@H]1CCCCC1(C)C	1944795273	QPSWGFHBQGANFU-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1cccc(C)c1F	1947456268	DAFXNPZDDLQTBF-STQMWFEESA-N	235.346	4.515	0	10	BJAE	
CC[C@@H](C)C[C@]1(O)CCCCCCCC1(F)F	1947511846	ZZQBOXFDWQCPFB-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](N[C@H](C)[C@H](C)CC(C)C)C1CCCC1	1948325379	BWQNITMGCVRUAS-FMKPAKJESA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)NC1CCCCCCC1	1948328312	UEBWHHCGYYHJEB-GJZGRUSLSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NC1CC(C)(CC)C1	1948396965	CUZNXXUJULNKNG-JWMHWRSXSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(CO)CCCC(C)(C)CC1	1950909679	ZEIXBXYPPMJTCU-DZKIICNBSA-N	240.431	4.638	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)[C@H]1CCC[C@H](C)CC1	1950928659	ADVNRHJROJFOGH-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CCc1cccc(N[C@H]2[C@@H](C)[C@@H](C)CC[C@H]2C)c1	1968340287	VXAUNLUXTWPVJZ-QDEZUTFSSA-N	245.410	4.732	0	10	BJAE	
c1cc2c(c(OCC3CCCCC3)c1)CCCC2	1968651308	HOBVNDRNCDSXOS-UHFFFAOYSA-N	244.378	4.525	0	10	BJAE	
CC(C)C[C@H](C)COc1cccc2c1CCCC2	1968652392	RUTQEANFSXOVBH-AWEZNQCLSA-N	246.394	4.626	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1969962348	XGUKGXDBLDFZAM-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CN1CCCCCCCCC1)C(C)(C)C	1970124757	DLAODJZRKMWPRA-OAHLLOKOSA-N	239.447	4.715	0	10	BJAE	
CCC(C)(CC)CN[C@H](C)c1cc(C)ccc1C	1973315177	FBQBMCZENSBFTJ-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CC[C@](O)(CCCC(C)C)C1CCCCC1	1975960108	WJNJTDACAKFHKJ-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](O)c1cccs1	1980696754	SBIFOFSEIKZKBV-STQMWFEESA-N	240.412	4.778	0	10	BJAE	
C1=C[C@@H](CC[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	1986157705	VPLRGPOMQSWHOA-LVQVYYBASA-N	218.384	4.949	0	10	BJAE	
Cc1ccc(O[C@@H]2C=CCCCC2)c(Cl)c1	1990986350	FXPCFPIOFRYSNB-GFCCVEGCSA-N	236.742	4.526	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H](C)C1)C(C)(C)CC	1996273151	SLQGYBGIYARBSL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CCCC2(CCC2)C1	1997042646	LFDIQEQFFNUZPN-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CCC1(N)CC(C)(C)C(C)(C)C1	1997769655	VUBWCQCFVXUQPB-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C[C@H]1CCC=CCCC1)[C@@H](C)CC	1999990068	GWTYUURLQIREPP-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)[C@@H]1CCCC(C)(C)C1	2000054627	AWAAJKFTEIXAPT-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2CCC=CCC2)s1	2000218932	OPNSALASCDWXSA-UHFFFAOYSA-N	248.391	4.684	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@@H]1CC12CCCC2	2001216328	POCBQHJGAGUGRL-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCC[C@H]1N)CC(C)(C)C	2003095476	OCWFDTNKTISDKU-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNC1CCCCCCCC1	2003101497	XCSITXCPZGOSCD-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1CCCC2(CC2)C1	2003295035	XBMPADYBALEEFS-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1CCC[C@H](C)C1	2004235547	ZVGKRZCGHAMWHW-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC[C@@]1(C)CCc2[nH]c3ccc(Cl)cc3c2C1	2004345733	IJXWWEVLLRRBFD-HNNXBMFYSA-N	247.769	4.726	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC)CCCCC1(C)C	2005581644	AFGFXJPHBKYRHY-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC1CCC(C)([C@H](N)CCCC2(C)CC2)CC1	2007689956	PRHVMWORDHOGJU-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]([C@@H](C)CC)C1(C)CCC(C)(C)CC1	2007698971	VPGYAKVDLKATPE-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@](C)(N)CC1CC(C2CC2)C1	2007750055	SKGQLRMNADKXBJ-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)CCC(F)F	2008579419	FJKVCQJMDJSAAO-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC=CCCC[C@@]1(O)CCC[C@@H](CCC)CC1	2009591694	IZAICHUDSDSNEK-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@@](C)(O)[C@H]1CCCC(C)(C)C1	2009595026	UYSUDWYSFUNNDE-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](CCC)CC[C@@H]1CN	2009610339	GBVQXVXSKNKLEN-LEACJKDESA-N	237.431	4.524	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C1=CC[C@H](CC)CC1	2010715447	BVVBOYNFOJGHCX-OFQRWUPVSA-N	238.415	4.700	0	10	BJAE	
CCC(C)(CC)C(=O)CC1C[C@@H]2CCC[C@H]2C1	2012003350	WFMCJVVDYSMORJ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)C)C1CCCCCCC1	2015268735	FNQHXKBDMBVMEX-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)N(C)CC(C(C)C)C(C)C	2015336676	ZAEBGQWZDPTODM-HNNXBMFYSA-N	241.463	4.671	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C[C@@H](C)C(C)C)CC1	2015394447	ODMPAEMWMRVSEU-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(C[C@](C)(N)CC1CCCC1)C(C)C	2015407848	FAWYLIPBIQERBF-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@H](N)CC(C)(C)C2CC2)CCC1	2015639918	MFJCVJPEPPWWOE-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CC[C@@H]1C1CCC1	2017043459	PPPJHSSPLAVJJC-TZMCWYRMSA-N	249.785	4.639	0	10	BJAE	
CNC[C@@]1(CC(C)=C(C)C)CCCCC1(C)C	2017462877	GCTUPSNXDFAWIZ-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCC(C)=C(C)C)CC1	2017468952	OWCQCOCICFJIEF-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@H](CC(C)C)C(C)C	2017474385	CRZSCDICIHWPPW-CVEARBPZSA-N	239.447	4.639	0	10	BJAE	
CCCC1CCC(C[C@@H](O)C2(CC)CC2)CC1	2017642638	KEGVKEHODZLMRW-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017723840	VOFKEFPDFOMAKS-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1([C@@](C)(N)C[C@H]2CC[C@H](C)CC2)CCCC1	2017727814	DTWUQCYRUJQXEI-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H](CC)NCC)CC1	2017731824	VZVPEXSWINXFIZ-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC[C@H](C)C(F)F	2018188454	SCVJTIDRQGHMTC-STQMWFEESA-N	249.389	4.568	0	10	BJAE	
CCC1(CC(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1	2018951111	ZNXFWHILFIVGTI-WFASDCNBSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@@H]1CCC[C@@H]1C	2019192323	JKJLXHSBZRUUBQ-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
CCCC1CC(C(=O)CCCCC(C)(F)F)C1	2023342167	NPHMUSNUCYZZOV-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1C[C@@H]1C1CC1	2026079933	OZPCSKIGARMEDC-DUVNUKRYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1cccc(C)c1	2026165563	CLLWHGMTXXKNCX-BBRMVZONSA-N	233.399	4.601	0	10	BJAE	
CC[C@@H](NCCCC1(C)CC1)c1ccc(C)cc1	2027807400	FSLIASJKJPQBFZ-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H]1CC[C@@H]2CCCC[C@@H]2N1	2027837230	PQLSSGJAZDJPIR-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(-c2cccc(C(C)(C)C)c2)c(N)c1	2028086727	AUEBIAPZFFQYJA-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CC(C)C(C(C)C)[C@H](O)c1ccc(C2CC2)cc1	2028593187	KUUIKFDNQFZRAY-QGZVFWFLSA-N	246.394	4.526	0	10	BJAE	
C[C@@](N)(CCCCCC1CC1)[C@@H]1C[C@H]2CC[C@H]1C2	2028642483	AVRHPDBGAOULEE-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1cc2ccccc2o1	2029839305	YRQAREYJYRTZKI-MLGOLLRUSA-N	246.350	4.539	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@]12CCCC[C@H]1CCC2	2031806397	XPXZTLSYIZEEKC-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NC23CCC(CC2)C3(C)C)C1	2033411199	BMFYOWQAVMXOGO-UUCFBXCCSA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@H]2CC[C@H]1C2	2035045496	AVJTXYKIFAGMLZ-VNQPRFMTSA-N	243.394	4.548	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)c1cc(C)oc1C	2035404265	OZPXJKJQCPKKCK-XNRPHZJLSA-N	249.398	4.516	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)[C@]12CCCC[C@H]1C2	2035426810	VXBMQPCRTDGWKC-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCCC2)CCCC1(C)C	2035591728	WOODADBXTVBLLA-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
C1=CC[C@H](CNC2CCCCCCCCC2)CC1	2035893113	YJZIJDPOQNABFA-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C[C@H](C[C@@H](N)[C@@H]1CC12CCCC2)C1CCCCC1	2036099458	DMQRXBYVOQRKIH-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](NC)c1cccc(C2CC2)c1	2036356040	OSLFMSMJYLAMGD-OGHNNQOOSA-N	245.410	4.507	0	10	BJAE	
CCCc1ccc([C@@](C)(O)[C@@H](C)CC(C)C)cc1	2036377427	VQDAFQUQFXPJTA-YOEHRIQHSA-N	248.410	4.529	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1)C1CC1	2036661392	PKULOZLVTJMJEM-NCOADZHNSA-N	249.442	4.514	0	10	BJAE	
CC(C)(CCC1(N)CC(C2CCCC2)C1)C1CC1	2037166441	MIECJQPVYWIALS-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(N)CCCC[C@@H]1C1CC1	2037179371	LHVMAPWSXQKXJR-ZMSDIMECSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C=CCCCC1)[C@@H]1CC1(C)C	2037271819	LKKNQTLLHVQSPV-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H]([C@H]1CCC2(CCCC2)C1)C1(CC)CC1	2037690761	OCDBIAOFBQWOHI-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@@H]2CCC3(CC3)C2)CC1	2038579963	RMTPJIFUZBOQPJ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C2(N)CC3(CCC(C)(C)CC3)C2)C1	2038893410	NVDSUWIDAAKJTK-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@H]2CCC[C@H](C)CC2)c1	2039377641	VUWNCCJYAZYZNG-WFASDCNBSA-N	244.378	4.703	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2C=CCCCC2)CCCCC1	2039849049	IKLVNDXUTVJFHM-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)C1(C)CCCCC1	2039861921	JLIIRTCMVPXMQD-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
CC1CCC([C@@H](C)NC[C@]2(C)C=CCCC2)CC1	2040632374	DNEMYGPHBYSJLL-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CC[C@H](NCC[C@H]1CC=CCC1)C1CCCCC1	2040676728	GTMGBFNLGYGQEY-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCC3(CCC3)C2)c(C)c1	2043615444	NAZVJIRWWICVMR-HNNXBMFYSA-N	243.394	4.747	0	10	BJAE	
CCC(C)(CC)C(=O)c1c(C)oc2ccccc12	2045585141	MAJBNXJFQKLFRR-UHFFFAOYSA-N	244.334	4.750	0	10	BJAE	
C1=CCCC(NC2CC3(CCCCCC3)C2)CC1	2046234682	FBJJOUNRKFUQSN-UHFFFAOYSA-N	247.426	4.578	0	10	BJAE	
N[C@H](C[C@H]1CCC12CCC2)C1=CCCCCCC1	2047938758	ILNHXGOBLHZMBB-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)[C@@H]1CCCC2(CC2)C1	2048868688	LXDQQQVFEOOCJC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CN[C@H]1CCCCC[C@H]1CC1CCC2(CC1)CC2	2049847825	FANJSOJXFGHBKW-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@]1(C[C@@H]2CCC3(CC3)C2)CCCCCN1	2049860078	BBHXCNWUFMMFIX-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
CCC1(CC)CCC(N(C)C[C@H]2C=CCC2)CC1	2051646641	UNJINIXBYSBDDM-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CC[C@@H](N2CCCC[C@H]2C2CCCC2)C1	2051674472	KFQUAUXGNQAGPX-CVEARBPZSA-N	249.442	4.610	0	10	BJAE	
CCCC(CCC)CNc1ccccc1OCC	2052173431	VAHPTVZDMRODAJ-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N(C)C1CCC2(CCCC2)CC1	2055269660	JBSXLLQFKQVYCV-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)C1(CC)CCCC1	2056878839	NTLRVVFHLIUYLV-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
NC1(C=C2CCCCC2)CC(C2CCCCC2)C1	2056907546	NDHOZIVTBLPMEP-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCC=CCCC2)CC1	2059002413	DZBBCPPBIQOGAU-ARFHVFGLSA-N	248.410	4.908	0	10	BJAE	
CC=CCCC[C@H](NCC)c1cccc(C)c1C	2059224962	HUJUWACQESZSFK-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)C1(C)CCC(C)CC1	2060920153	CBSFXOOAACSWDV-DKVOJFQGSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C1=CC[C@@H](C)CC1	2060931097	XPLFJNNNVMDNTK-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC[C@@]12CCC[C@H]1C2	2061593738	VQNNZBBSKWXUIT-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
Cc1cc2ccccc2n1CC[C@@]12CCC[C@H]1C2	2061603637	UXSIOEIIFFSNPQ-DOTOQJQBSA-N	239.362	4.530	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC[C@@]23CCC[C@H]2C3)C1	2061606370	LCTAELAXLMQVSQ-PNBKFKSVSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1CC(=C2CCC2)C1)C(CC)CC	2061721005	QQMYDSAJDWSKAR-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)CC12CCC(CC1)CC2	2065337055	JIRGVYCTAVZMRB-LYSZQXJVSA-N	249.442	4.501	0	10	BJAE	
CC[C@](O)(CCCc1ccccc1)CCC(C)C	2066000080	NZILFHAPIOPSGI-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CCC2)C1(CCC)CC1	2069192320	FASLOCGYXJNEIM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H](O)c2c(C)cccc2C)CCC1	2069338735	AQPWPHLZLATXLF-OAHLLOKOSA-N	246.394	4.697	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H](C)C2CC=CC2)cc1	2070795064	LFPGYZFBFDBVRJ-KGLIPLIRSA-N	243.394	4.967	0	10	BJAE	
CC(C)(C)C1(CNC[C@]2(C)CC=CCC2)CCC1	2071934055	SFLCJKTVTTTWJS-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@]12CCCC[C@H]1C2)C1(C)CCC1	2074025859	QUKLHYZQZYQKFP-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C2CC3(CCCC3)C2)C1	2074891609	IDMISHLZOFYNAB-HUUCEWRRSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C[C@H]2CC=CCC2)CC1	2075167605	KBQORWPOGHRTSF-IXDOHACOSA-N	249.442	4.633	0	10	BJAE	
CCCCN(C1CCCCCC1)[C@@H]1C[C@@H]2C[C@@H]2C1	2076548045	ZVDWTRAJLPBIIN-QLPKVWCKSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2C[C@@H]2C2CCC2)C1	2079329702	TVTOXKLRYIYAET-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@@H]1C[C@H]1C1CCCCC1	2079432989	XCUDVJVZJVDHBN-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCCNCC1([C@H]2C=CCC2)CCC(C)(C)CC1	2081682194	OYELESDCBPAZNK-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC(C)=CCC(=O)C[C@H]1C[C@@H]1C1CCCCCC1	2081776353	WGLBSVHEGCMSCH-DOTOQJQBSA-N	248.410	4.908	0	10	BJAE	
CN([C@@H]1C=CCC1)[C@H]1CCCCC12CCCCC2	2081808595	IGXOSYHLBLGHKL-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
CCCCCC[C@H](NC)c1cc(C)cc(C)c1C	2082918757	LDJNPPWUQLMOIH-KRWDZBQOSA-N	247.426	4.843	0	10	BJAE	
CC1(C)CC(C[C@H](N)c2ccoc2)CC(C)(C)C1	2082977451	ZIOWKSXTXCXMFQ-AWEZNQCLSA-N	249.398	4.522	0	10	BJAE	
CC(C)C[C@H](O)CCCCCCCC1CC1	2210527529	SOPMETPGXBGRLU-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
Fc1cc(C/C=C/c2ccccc2)ccc1Cl	2213824432	GTJMUWHJEYJRAN-QPJJXVBHSA-N	246.712	4.735	0	10	BJAE	
CC1(C)CC(C)(C[C@H]2CCCCCCC2=O)C1	2215434036	QJGDEZMXIJOSIJ-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](CNC1CCC1)C[C@H](C)C(C)(C)C	2217132663	ZWQQXXFLFMWHOJ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)c1c(C)cc(C)cc1C	2220962518	RHMYGLHWBXYDTA-CABCVRRESA-N	244.378	4.621	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CC1(C)CC(C)(C)C1	2221090829	QGYJJBNDKHWMRZ-ZFWWWQNUSA-N	248.410	4.764	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	2221643287	MRIUWMCLXSNMCB-QBYUYEEZSA-N	246.394	4.518	0	10	BJAE	
CCCCCC[C@]1(CNC2CCC2)C[C@@H]2C[C@@H]2C1	2223554248	FRHUOPJWUKYLJK-SCAQPMJSSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@]1(CN[C@@H](C)CC)C[C@H]2C=C[C@H]1C2	2223561070	SAWRTTYXRHPCHO-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N2CCC[C@@]2(C)C2CCC2)C1	2223850759	OCGWIXYJNMEBNN-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CCc1ccsc1CCC(C)=C(C)C	2241484849	PILNCPYQTOSCKM-UHFFFAOYSA-N	208.370	4.599	0	10	BJAE	
CCC[C@H](CC)CNc1cccc(Cl)c1F	2244800596	HDXXQYPMTCMEMB-JTQLQIEISA-N	243.753	4.717	0	10	BJAE	
CC[C@H](C)N(C)CC[C@@H](C)CCCC(C)C	2244837050	MZTQTMPIWUVIHD-GJZGRUSLSA-N	227.436	4.569	0	10	BJAE	
CCCC[C@](C)(N)CC[C@@H]1CCCCC12CC2	2246622049	ZNFDIZGEALBMLQ-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@@H]1CCC12CCC2	2247386580	MBJBXCBQZUGGEZ-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C[C@H]1CCC1(C)C	2247446873	XAUHFTXLXSVQTP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCCC[C@@H]1C[C@H]1C)[C@@H](C)CC	2248821047	PRNVQNKFIZSDGE-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CCCCC[C@H]1C[C@@H]1C	2248867881	YDLCZQKXMJCJKJ-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CCCc1ccccc1NC[C@@H](CC)CCC	2250378668	PGROUVKBNROCKL-AWEZNQCLSA-N	233.399	4.877	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)CC(C)(C)C	2250467337	PPLTVEYLLFPUEM-HNNXBMFYSA-N	241.463	4.817	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H]1CNC(C)(C)C1	2250469192	MDFSRZZKGGQESV-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1CC[C@H]1C(C)C	2250474174	LJLFDCCKITVTLD-HOTGVXAUSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(O)C1CCC1	2250494157	UYIUFGKPCUZDIN-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]([C@H](N)c1ccc2ccsc2c1)C(C)(C)C	2253130599	UUFZAWYCIPTKCP-HZMBPMFUSA-N	247.407	4.583	0	10	BJAE	
CCCC(CCC)N[C@@H](CCC(F)F)C(C)C	2253272757	PBWBOZPUYXOBBJ-ZDUSSCGKSA-N	249.389	4.615	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC[C@@H]2CCCCC23CC3)C1	2253856009	PBAVCEXDEUGBER-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CC1CC2(CCCC2)C1)C1CCCCCC1	2254112582	KMEIAFKPLQPKFS-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC(=CCCCC[C@@H]1C[C@@H]1C)C[C@H]1CCCCN1	2257238495	DIPROYOGVHDJGZ-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNCC1CCC=CCC1	2257360472	HAWYNAMNULDQCB-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1ccc(C(C)(C)C)cc1	2259445937	XTSQTRUIWMYQIF-XJKSGUPXSA-N	248.410	4.844	0	10	BJAE	
CCC[C@H](CC)C(=O)c1cc2cc(C)ccc2o1	2259448035	PJDLHTZHMGGZKN-LBPRGKRZSA-N	244.334	4.750	0	10	BJAE	
CC(C)CC1(C(=O)CC2CC3(CC(C)C3)C2)CC1	2259577046	IJDMESUUWDYIIM-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@H](NC[C@]12CCC[C@@H]1CC2)C1(C)CCCCC1	2260632186	BMJLTGVYCPTAPE-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@]12CCCC[C@@H]1CC2	2260678048	IWFXRGFPURJMAE-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@]12CCCC[C@@H]1CC2)C1CCCC1	2260678450	LJBBVVOLOKNKJB-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H]1CCCCCCCC1=O	2298936375	PNYBHNSVOPFNRA-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@](O)(CCC(CC)CC)[C@H]1CC1(C)C	2300679267	RHXXJCLRJZVDHL-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCC2(CCCC2)C1	2300683374	IZJARHFRGRNJHB-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CC1(C)CCCC1	2300908086	ZNWLMHRBKKFJEQ-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2CCCCCC2)C1	2301143190	RBNVQFNAQTYRTN-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1C[C@H]2CCC[C@H]1CC2	2301144445	DORFPRPYFHEYIO-VGWMRTNUSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC(=O)[C@@H](CC2CCCCCC2)[C@@H](C)C1	2301240618	BASVWGMDQXEASC-YDHLFZDLSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(N(C)[C@H](C)[C@@H](C)C(C)C)CC1	2301701415	OXJVQSIKWVFQOE-QRNKSROTSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@H](C)[C@@H](C)C(C)C	2301841097	SKASFUJLGZGCSE-ARFHVFGLSA-N	241.463	4.721	0	10	BJAE	
CCCCCCc1ccc(C(F)(F)F)cc1F	2302230321	FXRYMHGKFHRYRU-UHFFFAOYSA-N	248.263	4.967	0	10	BJAE	
CCN[C@@H](C)[C@@H](CC)CCCC1=CCCCC1	2302325325	GMIWEFMKEWDWFT-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
C[C@H](CCNC(C)(C)C)C[C@H]1CCC(C)(C)C1	2302759977	DFWFFZBZKDHEFL-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C(=O)CC[C@H]1CC[C@H]1C1CC1	2303157127	ZCJLJBJFJIVPPZ-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
CC[C@](N)(C[C@H]1CC[C@@H]1C(C)(C)C)C(C)(C)C	2303514347	YUNHVSQOEOOXPG-WWGRRREGSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(O)CC[C@@H]1CCC(C)(C)C1	2304358323	GWUACGMPZUUVCT-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(CC)c1nc([C@@H]2CC23CCC3)cs1	2304486438	JNOPQIKEYMRAIU-NSHDSACASA-N	249.423	4.878	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)[C@H]1CCC[C@H](C)C1	2306835172	PQTWUAIIEIPOGJ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
O=C1CCCCCCC[C@H]1CC[C@@]12CCC[C@@H]1C2	2310380203	QNHIPLGXSCXEKN-ZMSDIMECSA-N	248.410	4.886	0	10	BJAE	
CCN[C@@H](CCCC[C@@H]1C[C@@H]1C)c1ccccc1	2310436627	ROEDIKOLRKHWJN-UAGQMJEPSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@H]1[C@@H]2CCCCCC[C@@H]2C12CCCC2	2311934216	CZLCAVXYWVQAPA-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313346974	SUIAPRHNISGINZ-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CC[C@@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313407738	DPVCUSGRKFBDHQ-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1ccc(C)c(CC)c1	2314697153	LRLOBJMYRUMCKU-AWEZNQCLSA-N	246.394	4.957	0	10	BJAE	
CC(=CCC(=O)c1ccoc1C)CCCC(C)C	2316539715	NJGKCLGOPKRZNX-UHFFFAOYSA-N	248.366	4.933	0	10	BJAE	
O[C@H](CCC1=CCCCC1)CC[C@@]12CCC[C@H]1C2	2317969742	OZEYORVWHMWBRU-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H]1CC(C)(C)[C@H]1C	2318184387	GWPTUXGSNXIVLC-BBRMVZONSA-N	245.410	4.965	0	10	BJAE	
CC1(C)CCCC[C@H]1NCCCC1=CCCCC1	2318530182	ZJKIIRVTLXSPGN-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC1(C)C[C@H](CCCC2=CCCCC2)C[C@@H](N)C1	2318591701	AZYBPBDOVDETPN-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCCN(CCCC2=CCCCC2)CC1	2318596097	WHDJHIUFQQRFOL-MRXNPFEDSA-N	249.442	4.779	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](C[C@H]1CCC(C)=C(C)C1)NC	2320326938	IWNGOVSDWMCIBW-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1cccc(C(C)C)c1F	2327764457	DVZRBPGIKLOFMG-QWHCGFSZSA-N	249.373	4.797	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@@H]2C[C@H]2C(C)C)c1	2327783897	IFVKLYSTAKWOGQ-GOEBONIOSA-N	244.378	4.593	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CNC)c1ccccc1C	2328197516	UYWSEKREMFLFEM-HOTGVXAUSA-N	247.426	4.514	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1cc(F)cc(F)c1	20561337	SOOPCAUKDSVUOB-ZWNOBZJWSA-N	241.325	4.592	0	10	BJAE	
CC[C@@H](C)[C@H](C)N[C@@H](CC(C)C)c1ccccc1	37042762	GZRSFOUFRNJXRX-VYDXJSESSA-N	247.426	4.798	0	10	BJAE	
CC[C@@H](C)N[C@H](CC(C)(C)C)c1ccccc1	37128547	JGTALXWAFKYOCC-UKRRQHHQSA-N	233.399	4.552	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1cc(C)cc(C)c1	68867200	OOUJCBLUCGLOBF-WBVHZDCISA-N	248.410	4.943	0	10	BJAE	
Cc1cccc(N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c1	80124348	YFHWUOGGYUALNV-YSVLISHTSA-N	243.394	4.622	0	10	BJAE	
CC[C@H](C)c1ccccc1NCc1cccs1	83374543	HYWJOLPEMRLLHM-LBPRGKRZSA-N	245.391	4.874	0	10	BJAE	
Cc1cccc(NCc2cccc(C)c2Cl)c1	83374643	RLAWGLMSHBVCBX-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CCCc1ccccc1NC1C[C@H](C)C[C@@H](C)C1	84464664	YJPZUQPXOFFSRG-ZIAGYGMSSA-N	245.410	4.876	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCC[C@@H](C)CC2)c1	86879105	CKUMKQIAPJRVCN-DOMZBBRYSA-N	231.383	4.684	0	10	BJAE	
Cc1ccc(C(C)C)c2oc([C@@H](O)C(C)C)cc12	88072504	CCHXGQHHVWSRAQ-HNNXBMFYSA-N	246.350	4.554	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H]1CCCC(C)(C)CC1	88294259	SZCJTLZLECRMLA-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](O)[C@H](C)C(C)C)cc1	90484908	JZZJHFPOHMVEME-CJNGLKHVSA-N	248.410	4.700	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CN)c1ccccc1C	93104883	MDANDACEASTPSV-HZPDHXFCSA-N	247.426	4.644	0	10	BJAE	
C/C=C\[C@H](C)Cc1c(Cl)cccc1Cl	107501753	GYMBOOPGKNDLBB-LVCFMKKZSA-N	229.150	4.748	0	10	BJAE	
C[C@H](Nc1cccc2ccccc12)C1CCCC1	109749754	BSTSLMGXIKSUKN-ZDUSSCGKSA-N	239.362	4.830	0	10	BJAE	
CC[C@@H](N[C@@H](C)c1cc(C)c(C)cc1C)C(C)C	109929166	FMIHKQFHFAQVDC-DOTOQJQBSA-N	247.426	4.697	0	10	BJAE	
CCCC[C@@](CC)(CNC(C)C)c1ccccc1	110209823	MLFVXSQRWKVGKK-KRWDZBQOSA-N	247.426	4.523	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@H]1CCCC[C@H]1CC	111746831	RPZNGHLVJQYOKJ-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)c1cccc(CC)c1	122687449	SCFHHMSITZJZKW-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCc1ccc([C@H](CC)NCCC(C)(C)C)cc1	123941679	KWRUNEGOOOCUSU-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H](C)c1csc(-c2cscc2C)n1	132217792	DAALGKPXMNGTAY-MRVPVSSYSA-N	237.393	4.694	0	10	BJAE	
CCCCCC[C@@H](C)NCCCCC(C)C	147283151	PHLXTPXRUMMJJM-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
Cc1cccc(N[C@H]2CCC(C)(C)C[C@@H]2C)c1	155797189	CGJUZEOJYKKTKJ-ZFWWWQNUSA-N	231.383	4.622	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)c1ccc(C)c(C)c1	163410922	UNFKAUJNLFSSQG-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC(C)CCC(=O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2	164732826	ZONCFEZWIQZQQO-JCAIJIATSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)c1c(C)c(C)cc(C)c1C	167242289	JTPJFOWLTZASGH-MEDUHNTESA-N	247.426	4.617	0	10	BJAE	
CC(C)c1ccc(CN2[C@@H](C)CCC[C@@H]2C)cc1	209623582	OTNBBTOYFCQPEF-GJZGRUSLSA-N	245.410	4.573	0	10	BJAE	
CCCC[C@H](CC)c1nc2c([nH]1)C[C@H](CC)CC2	216978851	OTUCRJHCKNXCNI-OLZOCXBDSA-N	248.414	4.608	0	10	BJAE	
CSc1ccccc1N[C@H]1CCC[C@@H](C)[C@@H]1C	221823841	VFXDFQJZRYTWSN-AGIUHOORSA-N	249.423	4.645	0	10	BJAE	
Cc1cccc([C@@H](C)Nc2c(C)cccc2F)c1	224940091	DNBPXYGPZABQCF-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@H]1CCCC1(C)C	226818929	RQHIBRCHEASOKI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H]1CCC[C@@H](CC)C1	226995824	PEZHPMWOXWIXDD-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)c1cc(C)cc(C)c1	229481286	IBSBUKVXTHPJRA-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CC(C)CCCN[C@@H]1CCC[C@@H](CC(C)C)C1	230770127	MJJZTRQMWRMNRX-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](O)(CCC2CC2)CC1	232499117	FHDLQCYXOBVQII-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC[C@]2(C)CCC(C)(C)C[C@@H]2[C@@H]1C	238413662	PEBJZQBEEWPOET-RGCMKSIDSA-N	208.389	4.885	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@H]2CCCC[C@H]2C)c1	251091003	WOMMNEQBZVKCBM-VYDXJSESSA-N	245.410	4.533	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H]([C@@H]2CCCC[C@H]2CC)C1	252613680	XMSWTJVWTISUGA-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1C[C@H]2CC[C@H]1C2	253040446	KKAPOOXVKSADGQ-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](c2ccccc2C(C)(C)N)C1	258325925	LMRMHTDBPFHOOT-ZDUSSCGKSA-N	245.410	4.564	0	10	BJAE	
CSc1cc2cc(Cl)c(C)cc2s1	307386008	JJFBQJWYHXYCLA-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC1(C[C@]2(C(C)C)CCCCCN2)CCC1	310149943	OUYWYSSRXAJAGW-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](NC1CCCCCC1)c1cccc(C)c1	310687036	MPFVAAILASPMKK-KRWDZBQOSA-N	245.410	4.759	0	10	BJAE	
Fc1ccc(N[C@H]2CCCCC23CCCC3)cc1	310785172	SPWWZVQHDWQXHD-HNNXBMFYSA-N	247.357	4.741	0	10	BJAE	
CCCONC1CCCCCCCCCCC1	314523455	LPVGSTSVTSVXCN-UHFFFAOYSA-N	241.419	4.591	0	10	BJAE	
CCC[C@H](C)C1(CNCC)CCC(CC)CC1	317241480	JYGYKSCXOOBNBK-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCNC[C@@]1(C(CC)CC)CCC[C@@H](CC)C1	317537889	AQBGXKJQTVULJU-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCCNC[C@]1([C@H](C)CCC)CCC[C@H](C)C1	317818484	YPPYOEUGAFUNHI-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCCC)C(C)(F)F	328307089	ZBXTZOYRZMNITQ-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCc1cccc2ccn(C3CCCCC3)c12	379710638	DTCSEASKTNRWDI-UHFFFAOYSA-N	227.351	4.709	0	10	BJAE	
CCCCC[C@H](N)C[C@H](C)C1CCCCC1	381886700	PNNGVUPPSIFWNT-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](NCC(CC)(CC)CC)c1ccccc1	391188278	XGFYWMCGQDYCQL-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
CCCC1(CN[C@H](C)C2CCCCC2)CCC1	391828730	ZBYBSFCQIOEYIM-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CSc1cccc(N[C@H](C)CC(C)(C)C)c1	394977187	CGYLVCGMLCKONP-LLVKDONJSA-N	237.412	4.645	0	10	BJAE	
CC[C@H](Nc1cscc1C)c1ccsc1	395726484	XLJRBCDSCAVMIR-NSHDSACASA-N	237.393	4.681	0	10	BJAE	
CCC[C@@H](Nc1ccccc1C)[C@@H]1CC1(C)C	397606821	HJUHSMGFLDSPMC-DZGCQCFKSA-N	231.383	4.622	0	10	BJAE	
C[C@@H](C(=O)c1ccc(C(C)(C)C)cc1)C(C)(C)C	399013878	DADYBCMNVGUKGA-LBPRGKRZSA-N	246.394	4.849	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)[C@@H](C)C(C)(C)C	399336684	XXEVWCXYUUHFRQ-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	403667459	UJXWCBZYUBIYQI-IHTQCXBNSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)c2cccc(C(C)C)c2)C1	688936597	BOVOINDLZKJVCS-COXVUDFISA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(c2cccc(C(C)C)c2)C1	688936690	CGLUUMPQLGLPGN-RHSMWYFYSA-N	246.394	4.598	0	10	BJAE	
FCCCCCNc1ccc(C2CCC2)cc1	690158099	FFEQLKSDZSKISM-UHFFFAOYSA-N	235.346	4.506	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCC(C)(C)C(C)(C)C	691098694	JIWPUOPDOVRANT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCC)C(F)(F)CC	692364772	PQCPIGMXNDVJQF-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@H](C)C1CCC1	692795084	MYRBSDJXNRYDTN-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(CNCCC2=CCCCC2)C[C@H](C)C1	695354663	PGVXEHHIRGHWCW-HUUCEWRRSA-N	249.442	4.539	0	10	BJAE	
CCc1ccccc1[C@H](CCC(C)(C)CC)NC	696596511	ZABQATSGGMFZAK-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C(C(C)C)C(C)C	697760459	MQFAHWDITFYDQQ-HNNXBMFYSA-N	239.447	4.639	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CNC(C)C)C[C@@H]1C	703334670	YSOHUGDWTJMVLG-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](C2(N)CCC3(CCCC3)CC2)C1	704450333	WJDPWWKWKDHJGE-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H]1CCCC12CC2	706283577	ITRXURIUIQUTHM-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1CCCC12CC2	706586593	BUJSSSGRIJLPSD-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@@H](C)CC(C)(C)C	708299533	YSVIEJKQBNGAPE-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](C[C@@H]1CCc2cc(N)ccc21)CC(C)(C)C	709097729	RRMKIVBFMCWYNZ-STQMWFEESA-N	245.410	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)C[C@H]2CC[C@H](C2)C1	711008906	NKDKOCVDPBNMIL-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C[C@H](CC)C(C)(C)C)C(CC)CC	711071743	OLIRQLJJCQWPSJ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCCC1(C)C)C(C)(C)C	711218906	OOEZIGYYRUDEPH-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
C(CN[C@@H](C1CCCC1)C1CCC1)CC1CCC1	711912489	LTCSXPSLTNGWDF-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCCC1)NC[C@H](C)CC(C)(C)C	712596825	KKUWRGNMIGIEHE-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC(C)(C)C(C)C)c1cc(C)cc(C)c1	713239046	GCPPWBTUVQRTNF-MRXNPFEDSA-N	247.426	4.636	0	10	BJAE	
C=C/C=C/CCC1(CNC)CCC(C(C)C)CC1	713692434	BBFNXZYOEIRHPP-VOTSOKGWSA-N	249.442	4.561	0	10	BJAE	
CC1(C)CCC(C(=O)CC[C@H]2C[C@@H]2C2CC2)CC1	714808382	ZMYBMOLNDROSEN-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](NCCCCC1CC1)c1cccc(C)c1	716398326	MZSZLSXCSUHONC-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1C)C1(C)CCC1	720772265	CBBUSTXSESYBNF-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1C[C@H]1CC)NCCC	723068518	DIAJPZFHKQCREK-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
Clc1sccc1N[C@@H]1CCCC2(CC2)C1	723567017	BWXBWKRTMLCJAJ-SECBINFHSA-N	241.787	4.536	0	10	BJAE	
c1ccc(CCCSCCC2CCCC2)cc1	1307301033	CUCKHCGHJJESGK-UHFFFAOYSA-N	248.435	4.933	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC23CCC(CC2)C3)CC1	1308357684	KJFCDNMSLFKSOU-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N(C)C[C@H]2CCCC[C@@H]2C)c(C)c1	1559489730	COKLTMQCHVNRIQ-GOEBONIOSA-N	245.410	4.566	0	10	BJAE	
CC(C)CCSc1ccc(Cl)c(F)c1	1656706387	FOSSDFAQZRQNOW-UHFFFAOYSA-N	232.751	4.617	0	10	BJAE	
C=C/C=C/CCS[C@@H](C)c1ccccc1	1656801440	HMDARFWCBMBWSX-IHVVCDCBSA-N	218.365	4.613	0	10	BJAE	
CCCCCC[C@](C)(N)CCC[C@@H]1C[C@@H]1C	1896089618	RSRQTPVGCCTKQP-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CC[C@@H](CC)C1	1900693098	KLQIAQRPSRTNCS-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CC[C@H](CC)CN[C@H](C)CC	1900701294	LHUCTRXMHIPHBH-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)CC1CCCCC1	1905389190	LFSMSKOFAXZYIF-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)CC1(C)CCCC1	1905433619	VQTMHJFCBYLVLO-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H](N)C(C)(C)C)CC1	1909702613	CQHWTGCHBRARJD-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)C2CCCC2)CC1	1909711768	ZLLUOWLAKUOOPD-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](N[C@@H]1CCC2(CCCC2)C1)C1CCC1	1916397824	MKDOEHHWNJYWFD-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)[C@@H](NCC)[C@@H](C)C1CCCCC1	1924106444	KWRXQLMACKWCTN-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCNCCCC1CCCCC1	1926174001	HMHCMJOHVAISTR-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H](CC)C(C)C	1936645588	OJFRDIGOUCOPTP-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1sccc1CC	1938210327	YYRZBDXMFDEYGZ-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
CCCCCC[C@@H](C)NCCC[C@H]1CC1(C)C	1940874803	GGERAZRXQLAKQI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@@H](CC)C(C)C	1941265397	VLRGYNBRZYNJBM-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC1([C@@H](O)CCCCCC2CC2)CCCCC1	1941572701	DOVBVCRCXGCZLX-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCCCCCC1CC1	1941581406	KOFGQJPOAZHBDG-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](N)(CCCCCC1CC1)C1CCCC1	1941595317	HVMCCBMAQMHKSG-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)CCC1CCCCC1	1942652233	FROUREHGFUQNCB-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1(C)C(C)(C)C1(C)C	1942655061	GAXACNVTVMMAKX-GFCCVEGCSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CCC[C@H]1CNc1cccc2ccsc12	1944838477	YOJGGUJWNZVDJR-AAEUAGOBSA-N	245.391	4.749	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CCC[C@@H]1C(C)C	1947463702	FEXWKYCDMGRYLG-XHSDSOJGSA-N	239.447	4.616	0	10	BJAE	
CCC(F)(F)CCNc1ccccc1C(C)C	1947888096	FNULGFOAQMIMQO-UHFFFAOYSA-N	241.325	4.657	0	10	BJAE	
CC1(CC2(N)CCCCCCCCC2)CCC1	1948963298	BGSRDIYACDWWPA-UHFFFAOYSA-N	237.431	4.789	0	10	BJAE	
CCC(CC)C[C@H](O)[C@H]1CCC2(CCCC2)C1	1949400260	UKTHNZAKDRWXDD-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](O)(C1CCCC1)[C@H]1CCC(C)(C)C1	1949420302	FGBAUBDSSMRPCT-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H](O)CC2CCCC2)C1	1949867883	CVLZMGVFKXYQAX-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CCC1([C@@H](C[C@@H](C)CC(C)(C)C)NC)CCC1	1951245449	SZKIIXUBXHNZKJ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](N)c1cc(C)c(Cl)s1	1960263396	YYFDOFMWKHGQHO-WPRPVWTQSA-N	245.819	4.536	0	10	BJAE	
CCN(CC1C[C@H](C)C[C@@H](C)C1)c1ccccc1	1964100821	BXMURJURZQMSCU-HUUCEWRRSA-N	245.410	4.585	0	10	BJAE	
CCc1cccc(N[C@H](C)C(C(C)C)C(C)C)c1	1968340161	UAUHKHHUZFMMAD-CQSZACIVSA-N	247.426	4.978	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1CCCC2(CCC2)C1	1970505645	SSDKPHKEWIPNAP-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC2(CCC2)C1)C1CCCC1	1970931565	IBKHDXNSFRCHPG-JKSUJKDBSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCCC23CCC3)[C@@H]1C	1972828905	GJYUZPKCPSOSQV-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1(C(=O)CCCC(C)(C)C)CCC1	1978428577	NKZREMMHNAGNHS-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](CNc1c(C)cccc1Cl)C(C)C	1988767472	LIMGGLQPGLTNCU-LBPRGKRZSA-N	239.790	4.743	0	10	BJAE	
CC(C)=C(C)CNc1ccc2sccc2c1	1989628816	WBVBLEQLVVOGNB-UHFFFAOYSA-N	231.364	4.670	0	10	BJAE	
CCCC1(C[C@](N)(CC)C[C@@H](C)CC)CC1	1990640000	IRAPFAQBYIUCRK-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCC(=O)C[C@@H](C)C1CCCCC1	1993586794	GAIVXRCTDGJVIT-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](C)C1(C)CCCCC1	1995974496	FHVGDHSBIRRBGZ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@]2(N)CCCC(C)(C)CC2)C1	1996266710	CWNDPHDFYMNCNA-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@@H]1CCC[C@H](C)C1	1996595322	UYIPRNHKTAZJPZ-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1ccccc1SC1CC1	1998742397	MZZJGGIWBFHLMS-DGCLKSJQSA-N	247.407	4.542	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)C1(C)CCCCCC1	2000320994	OVDBGZFMJQJSNA-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)CC1CCC1	2000504036	DEIVRYNYVWEXQG-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)NC1CC2(CCCCCC2)C1	2000671872	AUSMZUDMEFIMJC-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CCC[C@H]1CCCN(C[C@H](C)C(C)(C)C)CC1	2000906134	GZADTCDOZBCQRF-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccc(C(F)F)o1	2002042224	BOKVTTNEHWEJQR-UHFFFAOYSA-N	244.281	4.616	0	10	BJAE	
CCCC(CCC)[C@H](N)C1CC(C(C)(C)C)C1	2002306571	OCDXTYZRKSHOGK-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)CC1(C)CC1	2002504759	QDVODGZSCHMARX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCCC1CCC2(CCCN2)CC1	2002571080	OUWKUNFRKRDMPM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)[C@H]1CCCC(C)(C)C1	2002987490	XQJHUDFANZBFDO-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CCNC[C@H]1CCCC(C)(C)C1	2002992533	CPLZDANUSNICOZ-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)CC2CCCCC2)C1	2003013334	GTSWDJKDNKUSTO-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CCCCCCC[C@@H]2N)C1	2003111184	JOULGONIQMGBCG-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H]1CCCCCCC[C@@H]1NCCC	2003113065	ZOFWTFLDCGKLTG-CVEARBPZSA-N	239.447	4.905	0	10	BJAE	
CCCC(CCC)CNc1cc(F)ccc1C	2004706516	NXWCSROGGSVTRT-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@H]2CC[C@H]21	2004796934	GFZSNBLEJOHVOD-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC)C[C@H](CC(C)(C)C)C1	2006627862	NPOCIHCYASPXHD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)C1(C)CCC(C)(C)CC1	2007696756	NAGWUGUCSGFPQS-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CC=CCCC[C@H](O)c1ccc2sccc2c1	2009590935	QZMZEIVHXLDYTC-AWEZNQCLSA-N	246.375	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)C[C@@H](C)C(C)(C)C)CC1	2010763667	LUAGIMYOMVBLRM-UMVBOHGHSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CC=C(CC(=O)CC2CCCC2)CC1	2010782304	OISOYCOKFDJKNG-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](C)C[C@](CC)(CNCC(C)C)C(C)C	2012415781	DZGLYARAYGIUCD-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@@](C)(O)c1sc2ccccc2c1C	2014295025	WZQHQAJEBQSOTP-OAHLLOKOSA-N	248.391	4.607	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1C[C@@H]2CC[C@@H]2C1	2015201458	WZCAXLUDBJYUDQ-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(O)CCCC12CCCCC2	2015269240	GSUZDXBKMKZKGY-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(CCN1CCCCC[C@H]1C)C(C)C	2015391628	CWUFQUORHGHRRD-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H](CCC1(CC)CCC1)C(C)(C)C	2015593467	DKNDBMJYAVTOGQ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](C)CCC=C(C)C)[C@@H]1C	2016149977	OPJAMCPLVRBQOH-FPCVCCKLSA-N	237.431	4.536	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2CCC[C@@H](C)C2)CCC1	2017123439	AOMGLIBHSHCRPY-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNC(C)C)CC[C@@H](C)C1	2017466344	LHDFKNSWYPITBI-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC(C)=C(C)C)cc1	2017469600	SUMZBPGJCIOANF-CYBMUJFWSA-N	232.367	4.935	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@H](C)CC(C)(C)C)CC1	2017655277	LJQJGEBRLAOLEZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@]12CCCC[C@H]1C2	2018568956	HXTDWCMJQYLFIS-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](NCC)[C@H](C)CC(C)C)CC1	2019005963	KSKUALJBEIHBHY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)N(C)[C@H](C)[C@@H]1CCC[C@@H](C)C1	2019297081	GTCWESSWYXSCHQ-QKPAOTATSA-N	239.447	4.568	0	10	BJAE	
C[C@H](C[C@@]1(O)CCCC(C)(C)CC1)C1CCC1	2019765897	FYTIYGWDCYSUML-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC[C@H]1C[C@@H]1C(C)C)NCCC	2022496504	SFYGBTHHJUAWNR-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1Cn1ccc2cccc(Cl)c21	2022550157	REWQOTFQKYJLCU-CHWSQXEVSA-N	247.769	4.731	0	10	BJAE	
CCCNC[C@](CC)(CC=C1CCC1)C(C)C	2023260646	QFYQOGOCBJUBKT-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC(=O)C1(CC2CC(C)(C)CC(C)(C)C2)CC1	2024100670	FBFPMZRARDRWFP-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C1=C[C@H](NC2(C3CCCCC3)CC2)CCCCC1	2027377628	CSIHYHYWYPKOEH-INIZCTEOSA-N	247.426	4.578	0	10	BJAE	
CCCCC[C@@](C)(O)Cc1ccccc1CCC	2027903541	NDJULMOETSLRLL-QGZVFWFLSA-N	248.410	4.513	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)c2ccccc2C2CC2)C1	2028570628	YZWPGONKQUZCNE-TZMCWYRMSA-N	242.362	4.573	0	10	BJAE	
CC1(CNC2CC[C@@H]3C[C@H]3CC2)CCCCCC1	2028975234	JPXWQFMHRUBSRH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1ccccc1C1CCC1	2029069837	NRSIHSHSENGTHD-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CC1(CC(=O)[C@]23CCCC[C@H]2CCC3)CCCC1	2031851931	OMHBEQRNBLYZFB-YOEHRIQHSA-N	248.410	4.886	0	10	BJAE	
CC(C)(C)C1CCC(=C2CCCC[C@@H]2CN)CC1	2032226242	UTTPLJGKQUFYNI-GICMACPYSA-N	249.442	4.668	0	10	BJAE	
CCC[C@H](NC1CC(C2CCCCC2)C1)C1CC1	2033830734	QQQGEENDPWJDNP-JCYILVPMSA-N	249.442	4.514	0	10	BJAE	
CC(C)(CN[C@@]12CCCC[C@@H]1C2)C1CCCCC1	2034015622	DBMMAAIUIAEPRI-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C[C@H]1C=CCCC1	2035576210	NNXNJDQKLSQNDH-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCC1)C(C)(C)C1CC1	2035598907	LDRTUSRJXIWKMJ-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CCCC(=O)c1cccc(C2CC2)c1	2036351888	HRSRGWGOWKJLTK-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC1(C)CCC(C)(C)C1NC1CC2(CCCC2)C1	2036542165	QAABYCYDGUGRPU-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)C1=CCCCCCC1	2037074649	VSFXYIDQTFLLLT-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)C[C@@H](C)c1ccccc1	2037210206	UFBDAPVMFDHQDI-ZMSDIMECSA-N	247.426	4.580	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CC1CCC=CCC1	2037210243	VBKRXLWJUBISKU-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2C=CCCCC2)CC1	2037273726	YBGLCCPHOOGDII-BRWVUGGUSA-N	249.442	4.811	0	10	BJAE	
C[C@@H](CCC1CC1)N(C)[C@@H]1CCC2(CCCC2)C1	2037676598	WRTBCTVLVKSOCA-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
C[C@H](NC[C@@H]1C=CCCCC1)C1(C)CCCCC1	2039872375	MOIDZRBFWBRTJY-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CCNc1ccc2ccccc2c1)C(F)F	2039981659	MEYCYPYGQSKMOQ-NSHDSACASA-N	249.304	4.543	0	10	BJAE	
CC1CCC([C@H](C)N[C@@H](C)c2ccccc2)CC1	2040632367	DMJNUTSSDXJRQT-GWUWNPHMSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H]2CCC23CCC3)CC1	2041541785	SVYKRXQBLTYUTQ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H](C)C1CCCCC1)[C@@H]1C=CCCC1	2043191866	SNLOCCSTCZXSLD-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CNC[C@]1(C[C@H]2CCC=CCCC2)CCC[C@@H]1C	2045319235	BNBQTVWVTCOARX-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H]1CCCC[C@H]1CC	2045822404	IASCLICMDYVCMK-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@@H]2CC23CCCC3)CC1	2047006039	XQDYYOKAZUVFJT-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C2CCC3(CC2)CC3)C1	2048620126	YVENVJQNRNBIFO-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H]2CCCC23CC3)CC1	2049414626	JECUKEJKELJTJY-SLTXQBBLSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@H]1CCC2(CC2)C1	2049845521	KUEKRZPVEBIFJI-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCCC2(CC2)C1)C1CCC1	2049855538	JUWRFNDIJYWUPQ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@@H]2CCC3(CC3)C2)CC1	2049867239	TVKAHZPQGPBBQS-GRAKBVBRSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)[C@@]1(C)C=CCC1	2050009657	YYCANJNKQMIKKA-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1[C@H](N)CC1=CCCCCCC1	2050456009	MEPJCWWIDUNWOG-QGZVFWFLSA-N	243.394	4.666	0	10	BJAE	
CCC1(CC)CCC(N)(CC2CC3(CC3)C2)CC1	2051594974	LRCZJDJNCZPDIN-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCC1(CC)CCC(N)([C@@H]2CC[C@H]3C[C@H]3C2)CC1	2051597674	YMACKGXKJXUITM-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@@H]3CC[C@H]32)ccc1C	2052287312	XGBDPNWNESZUEA-DJIMGWMZSA-N	243.394	4.548	0	10	BJAE	
CCCCCC[C@]1(CNC2CC2)CCCC12CC2	2053358078	JQDORYCLUPAPCR-QGZVFWFLSA-N	249.442	4.659	0	10	BJAE	
CC1CCC([C@@H](N)[C@@H]2CCCCC23CCC3)CC1	2053414408	ZGZMXXAYDYLMSF-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1CC[C@H](CCC2=CCCCC2)[C@H]1CC	2058733981	JHSUDAJLZRPKLP-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@H](C)C1CC1	2061084926	NKKURAJWOVCTQC-KEYYUXOJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1CC1)C1=CC[C@H](C(C)C)CC1	2061089558	UPTGVOMGCWGIMH-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@@](C)(N)C2CCCC2)CC1	2061117115	WKCZRARIUKCJFX-GUYCJALGSA-N	249.442	4.667	0	10	BJAE	
CCCC1CC([C@@H](NC)C2=CC[C@H](CC)CC2)C1	2061138151	SVFGOADDBZMOHS-DXCHVLGVSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1C(=O)CCC[C@@H]1C[C@H]1C	2062623550	CWXCFYVPZXVMRG-ZIAGYGMSSA-N	244.378	4.819	0	10	BJAE	
C[C@H]1C[C@@H](CC2CC(C)(F)C2)c2ccccc2N1	2065817805	RFSZHQITFYMZTM-AJAZOQAWSA-N	247.357	4.503	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@](C)(N)[C@@H]2CCC2(C)C)CC1	2068273427	JVYHCDQNODBFDV-FRFSOERESA-N	249.442	4.523	0	10	BJAE	
C=CC=CCCN(C)CC1CCC(CCC)CC1	2072663668	WFPDYQWYVGAEDF-UHFFFAOYSA-N	249.442	4.657	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)c2ccc(C)o2)CC1	2072797547	AEHHCBJAOVOOCM-RBSFLKMASA-N	249.398	4.584	0	10	BJAE	
C[C@H]1CCC[C@]1(C)Nc1ccc2ccccc2c1	2073008730	OANFCJRPNPTVIQ-GUYCJALGSA-N	239.362	4.830	0	10	BJAE	
CCCCC[C@@H](CC)NCc1ccc(C)cc1C	2073289393	WWHJBYXINJIPOH-QGZVFWFLSA-N	247.426	4.752	0	10	BJAE	
CCC1CCC(N(C)C2CCC3(CC2)CC3)CC1	2074853206	BPCAOAGPAKIXIT-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CCCc1ccccc1CN(C)CCC(C)(C)C	2075231649	PLOMPRPEDITKGN-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
CC=C(CC)C[C@@H](NCCC)c1ccc(F)cc1	2077197496	RDYRLTVPBCOBGV-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
F[C@@H]1CCCC[C@@H]1Nc1ccccc1C1CCC1	2077261635	BCTPOCNGNUOULH-ZBFHGGJFSA-N	247.357	4.647	0	10	BJAE	
C1CCCCC(NC[C@H]2C[C@H]2C2CCC2)CCC1	2079279641	VJZJBIDXNQCWDM-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CNc1ccc(C2CCC2)cc1	2079623262	FWNPFUUEIGNVLN-NVXWUHKLSA-N	243.394	4.658	0	10	BJAE	
CC1(CCC[C@@H](N)[C@H]2C[C@H]2C2CCCCC2)CC1	2079837802	CKINMTZAITWVAL-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C=C1CCC1)[C@H]1CCCC(C)(C)CC1	2080254076	AMEBMOKDYRQXRT-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)NCc1cc(C)cc(C)c1C	2082905925	PWECNXZATFJCPR-QGZVFWFLSA-N	247.426	4.670	0	10	BJAE	
Cc1ccc(C)c2[nH]c([C@@]34CCCC[C@@H]3C4)cc12	2083309902	RVVNGWWFSBBQLR-CXAGYDPISA-N	239.362	4.616	0	10	BJAE	
CCCC1(C[C@H]2CCCNC23CCCC3)CCC1	2083811225	WZPDWIMSGDXMQI-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)Cc1ccc(C)cc1	2086044014	KIGXVIKWVVFZAP-YOEHRIQHSA-N	248.410	4.505	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C=Cc1ccccc1	2086060979	RRZTVZHTTUFTCN-DOTOQJQBSA-N	246.394	4.667	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CCC1(C)C	2212630775	GGNBDHASVRPKPK-ZDUSSCGKSA-N	237.774	4.503	0	10	BJAE	
Cc1cccc(NC2CC(CC3CC3)C2)c1Cl	2213380126	SVVXOAWXSMHXMG-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](O)CCCCCCC1CC1	2213575717	ILOGYNRLRQKMKS-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
C[C@]1(C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCCCN1	2218354468	RZVUDUOFVZRJMC-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
C1CCC2(CC1)NCCC[C@@H]2CCCCC1CC1	2220044144	HCNUSRPZJGYYDZ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC1=CC[C@H](N[C@@H]2CCCC[C@H]2C(C)(C)C)CC1	2221663706	UBQINMXWAHOORE-ARFHVFGLSA-N	249.442	4.680	0	10	BJAE	
CCN[C@@H](CC)c1cccc(C2CCCCC2)c1	2221800212	DDHWORGODFEHBT-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CC(C)=CCC(=O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222955251	REMACEUJWKOMSX-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)C[C@@H]1CC12CC2	2223154911	NRZRFUCUWZPQBZ-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1c(C)cc(O)cc1C	2223344911	IEBISTQOPPKYSY-AWEZNQCLSA-N	247.382	4.556	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC2CCC2)CC=CCC1	2223553681	XJPOISPREIVGIM-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H](O)CCCC[C@@H]1C[C@H]1C	2243047566	HWCJBPMMNRBVIJ-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
Cc1sc(C)c(C[C@@H]2C=CCCCC2)c1C	2243601747	BGGKRQIJWNSYBY-CQSZACIVSA-N	234.408	4.962	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1(C)CC(C)C1	2246572298	KEOPZKJUWVQHFK-HLIUYOAVSA-N	238.415	4.988	0	10	BJAE	
CC1CC(CC(=O)CC[C@@H]2CCC[C@H](C)C2)C1	2246665746	LLMUOLCAEMZABS-LQULJDIASA-N	236.399	4.598	0	10	BJAE	
CCNCCC=C(C)CC[C@@H]1CCC[C@H](C)C1	2246700104	QXFNCFIAYNTBRS-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC1(C)CC(N)(CCCCC[C@@H]2C[C@@H]2C)C1	2248812435	ACSRCMGRVGZPNJ-QRNKSROTSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](O)CCCCC[C@H]1C[C@H]1C	2248838358	GCCOGFFIROCIHQ-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CNCCC1CCC(C)CC1	2250391563	XKSCTARQCDVVTP-PCKAHOCUSA-N	239.447	4.619	0	10	BJAE	
CC1CC(CCC(=O)CCC[C@@H]2CC2(C)C)C1	2251760439	CUVLRHUYRYDDRU-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](N)CC1CC2(CCCC2)C1	2254112364	DZLAEIJDCWCDLE-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC=C1CCC(C)(C)C[C@H]1CN	2254545538	UJJWIUJNKQKCQB-BMFZPTHFSA-N	249.442	4.524	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC2CCC2)CCC12CCC2	2254852197	BKYFXAORDKKTIC-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C)([C@@H](N)C[C@H]2CCC23CCC3)CC1	2254981178	UUCBNULXEQQFCQ-FYRZTWFESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2CCC23CCC3)CC1	2255013251	LVZCNTCOUOABON-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCCCCN1CC[C@H]1CCCC12CC2	2255259438	OJSAAOCRKRYGDL-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCCc1ccc(CNCCC(CC)CC)cc1	2256298888	XVYMNWZQVYGOFB-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)C12CCC(CC1)C2	2257240957	MNJWLCQOHGIYKZ-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCC2(CCC2)C1	2257316479	RFRNDYGXPBHOLG-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@@H](CC)O[C@@H]1CCNc2ccccc21	2258835352	KRLTVVOVKYSIBM-CZUORRHYSA-N	247.382	4.529	0	10	BJAE	
CCC1(CNc2cc(C3CC3)ccc2F)CCC1	2259109376	YFRCUBXGRYSERN-UHFFFAOYSA-N	247.357	4.695	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2cc(C3CC3)ccc2F)C1	2259125549	GUITXXCUBXPEBJ-BXUZGUMPSA-N	247.357	4.694	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1)[C@@H](CC)CCC	2259446117	YFNWPRPDFJBRIJ-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)[C@]23CCCC[C@H]2CC3)C1	2260504760	FOPXHNQJTJVARH-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@]12CCC[C@@H]1CC2)C1(C)CCC1	2260581338	DELLDNYJNSIVFQ-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)c2cccc(C3CCCC3)c2)CCC1	2260662560	OCOVVGBPMBURAM-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC(=CC1CC(CC(C)(C)C)C1)[C@@H]1CC[C@H](N)C1	2261295576	KQQYXOAFRHDSBS-FJBKBRRZSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@H]2CCNc3ccc(F)cc32)C1	2261340851	YBKAQVCDXBCIAL-UPJWGTAASA-N	247.357	4.551	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H](C(C)C)C1CCC1	2298839056	PQYGEPZJLKVZPJ-GOEBONIOSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)[C@@H](C)CC1CCC1	2298929756	CISPIFRTSVLJMT-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H](C)[C@H](N)c1ccccc1	2300678700	MPMNNSAFFAALFE-CJNGLKHVSA-N	233.399	4.539	0	10	BJAE	
CC[C@H](C)C[C@@H](O)CC=C(C)CCCC(C)C	2300935961	ADIRRNCQADUCIV-HOCLYGCPSA-N	240.431	4.946	0	10	BJAE	
CCCN[C@@H](C)C1(CC2CCCCCC2)CC1	2301138349	UMUGCVRKKHUGKR-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@H]2CCCC[C@H]2N)CC1	2302511945	AMFWHZWOSVBRET-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CC1(CC(=O)CCCCC2CC2)CCCCC1	2302574211	LQCZEEWGBWNAFL-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)CCCCC1CC1	2302576371	FLSISSOKTNUNHB-DZGCQCFKSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C(=O)C[C@@H]2CC[C@@H]2C(C)(C)C)CC1	2303477423	XWRPUXBOTORSFZ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@](C)(N)[C@H](C)C(C)C)CC1	2303515472	ICGJPNXGCNISFA-BZUAXINKSA-N	237.431	4.523	0	10	BJAE	
CCC[C@@H](CC)C[C@@](O)(CCC)C1CCCC1	2307830860	GGOANQZVXBCHRB-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CCC[C@@H]1C(C)C	2307894400	MKWPVNOBQBERJG-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)CC(=O)c1ccc(C)cc1F	2307894828	ODBYGOHDVAUBJC-LBPRGKRZSA-N	236.330	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC1CCCCC1)NC	2307903196	OBBIZLJJCNQNPL-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)[C@@H]1C[C@H]1CC	2307909126	JMBOFAXSZNKXGB-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309187859	YFTWQSXGOJWHPV-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC[C@@]12CCC[C@@H]1C2	2310382863	SGUNPYIRUQMRJW-YLFCFFPRSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](C1CCCCCC1)C(CC1CC1)CC1CC1	2313589474	DPESAURPLVNBMA-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)N1CC[C@H]1C1CCCCCC1	2313654085	GBORJPQHSYPGGV-PBHICJAKSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C(CC2CC2)CC2CC2)CC1	2313660217	IYIWKMUXLYARKG-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@@](N)(CC)C[C@@H](C)CC)ccc1C	2314712624	QJGHQRSNLUREGA-SUMWQHHRSA-N	247.426	4.558	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cccc2ccoc12	2316244356	YHZMGSRVRUXVBH-OAHLLOKOSA-N	245.366	4.649	0	10	BJAE	
CCC(C)=CCN(C)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2316516566	IJUXPWGHZSFOPA-GVDBMIGSSA-N	249.442	4.633	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2C[C@H]3CCC[C@H]2CC3)CCCC1	2316790343	IGTIHACVFMWBDL-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C12CCC(CC1)C2	2316887274	WFSSUGSXRWPZFO-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
Fc1cccc2ccn(CC3CCCCCC3)c12	2316993021	DAYIBNPMZIVCNJ-UHFFFAOYSA-N	245.341	4.751	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)C[C@H]2C[C@H]1CC21CC1	2317117900	DPQOFVYWZXJXOE-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C[C@H]1C=CCCCC1	2317906729	JZMGYIKCAZCBJH-IRXDYDNUSA-N	247.426	4.731	0	10	BJAE	
C1=C(CCC[C@H]2Cc3ccccc3N2)CCCC1	2318568118	IKXXIDBDLFCEKZ-INIZCTEOSA-N	241.378	4.694	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)CCCC1=CCCCC1	2318572905	LHCIFPBAGYVHEX-WBVHZDCISA-N	249.442	4.778	0	10	BJAE	
C[C@]1(C(=O)CC[C@H]2CC[C@H]2C2CC2)CC=CCC1	2319742163	UTTZQLLXZDWEND-VYDXJSESSA-N	246.394	4.518	0	10	BJAE	
CC(C)CC12CC(C(=O)CCC[C@@H]3C[C@@H]3C)(C1)C2	2321572011	PKEXORAIICXZPK-HOBHPSKFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCNC2(C3CCCC3)CC2)C1	2321614216	SKVCQHKBVUMKHW-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC)c1cc(C)ccc1C(C)C	2327675137	IEGWNVOCOCYDMZ-QGZVFWFLSA-N	247.426	4.959	0	10	BJAE	
c1csc(SCSc2cccs2)c1	2576267	FGDCUUFVLYPTHH-UHFFFAOYSA-N	244.431	4.652	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1ccc(F)cc1C	21504811	OZFYRTAMBHXETL-FZMZJTMJSA-N	237.362	4.761	0	10	BJAE	
CC[C@@H](C)[C@H](C)N[C@@H](c1ccccc1)C(C)(C)C	36994508	BDDKWTFXNWHWEB-YCPHGPKFSA-N	247.426	4.798	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)c1cc(C)ccc1C	37313312	ABCWVTCRFKMFRY-CABCVRRESA-N	233.399	4.533	0	10	BJAE	
CC(C)C[C@H](N[C@H](C)C1(C)CC1)c1ccccc1	37508926	IBKJUBRHXFIYIU-ZBFHGGJFSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@@H](CC)NCCC1CCCCC1	68986754	PDMMRTCKPMMMOI-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
C[C@@H](Nc1cccc(Cl)c1Cl)C(C)(C)C	79923606	JEHCGWJNTYBUDM-MRVPVSSYSA-N	246.181	4.840	0	10	BJAE	
CCCN[C@@H](c1cc(C)c(C)cc1C)[C@@H](C)CC	86495539	LAWWUQHXCVPJSK-YVEFUNNKSA-N	247.426	4.699	0	10	BJAE	
Cc1cc(C(=O)CC2CCCCC2)cc(C)c1F	87715591	NHSSBZHDQLGMSC-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCC[C@@H]1CCC[C@H](Nc2cccnc2C)CC1	91496024	SYAKOOFEJMBZEN-CABCVRRESA-N	246.398	4.551	0	10	BJAE	
CCC1CCC(Nc2cc(C)cc(F)c2)CC1	91509669	ZDEMJNYFNRFOIW-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCC[C@]1([C@@H]2CCC[C@H](C)C2)CCCCCN1	91874858	PASISBQAJZZFPB-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H]1CC[C@H](CC)C1	94676721	VNAFVDASHHBKRA-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CCc1ccc(C(C)C)cc1)NCC	112633895	QIHHNNCDTYBZMO-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
CCCCCC[C@H]1CCCCC[C@@H]1CNCC	130765995	VIARZNPTRSSFPC-JKSUJKDBSA-N	239.447	4.763	0	10	BJAE	
CCc1cc(CC)c(C(=O)CC(C)C)c(CC)c1	147837099	ZZGXFXSKQUQTKA-UHFFFAOYSA-N	246.394	4.603	0	10	BJAE	
Cc1cc(O)ccc1-c1ccc(C(C)(C)C)cc1	150289582	XITRDELMZYWONF-UHFFFAOYSA-N	240.346	4.665	0	10	BJAE	
CC(C)CCC[C@@H](N)c1ccc2ccccc2c1	165840891	XPTZLLVMXWTLNR-QGZVFWFLSA-N	241.378	4.666	0	10	BJAE	
Cc1cccc2c(C(C)C)c(CC(C)C)[nH]c12	166053439	RXAANTXPXNGWMC-UHFFFAOYSA-N	229.367	4.798	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@H](CC2CCCCC2)C1	203170112	BIHORUNQPKPFGV-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1sccc1C	228739326	ZPFOKKZOUBHQDL-STQMWFEESA-N	239.428	4.663	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccc(C)cc1Cl	229621414	NPDDDOJLQHYXSO-AAEUAGOBSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc2[nH]cc([C@@H](C)CC(C)C)c2c1	232622455	CVXSFRSPCOLHNF-LBPRGKRZSA-N	215.340	4.626	0	10	BJAE	
CCCN[C@@H](C1CCCC1)C1(C)CCCCC1	233106317	DBTMQBPVBFDKOB-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccc(C)cc1Cl	233274623	AXLZFLLHQBFDJZ-SNVBAGLBSA-N	238.758	4.657	0	10	BJAE	
CCC[C@H](CC)Nc1ccc(Cl)c(Cl)c1	233348732	LILUPVGMJSHRJV-VIFPVBQESA-N	246.181	4.984	0	10	BJAE	
C[C@H]1CC([C@@H]2CCNc3ccccc32)C[C@H](C)C1	235692217	NRJOCPKUWCJTGV-NFAWXSAZSA-N	243.394	4.658	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@@H]1C[C@H](C)CC	250889311	WIVKKTNSUVEAPL-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCc1ccccc1C(=O)CCCC(C)(C)C	304163518	YKRZPNRNOHBDJV-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1C[C@@H](C(C)C)CCC1=O	304178039	OHZWRZTXWPTJJT-SOUVJXGZSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)C)C(CC)CC	305921881	IAMKCBJFFBUDHI-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@@H](C)Nc1noc2ccccc12	306055837	UVTNRKNJQJRLEK-GFCCVEGCSA-N	246.354	4.599	0	10	BJAE	
Fc1csc2c(Cl)c(C(F)F)ccc12	306890473	VITGJDDBHPSCFD-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
Fc1c(Cl)ccc2cc(C(F)F)sc12	307048209	JIPYYMWAZPLROF-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CSc1c(Cl)ccc2cc(Cl)sc12	307440834	ZESLDRGEXMQQBH-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1ccc(C(C)C)cc1	309992462	HZQQYEFXKHNIEY-BBRMVZONSA-N	234.383	4.526	0	10	BJAE	
CC[C@@H]1CC[C@@H](N)[C@H](CCC2CCCCC2)C1	310064099	BQOVQMKZHCHQJI-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1CCC[C@@H](C)CC1	310309064	SYHWJMLWHSUIRS-QLFBSQMISA-N	239.447	4.760	0	10	BJAE	
CC(C)CC[C@H](C)Nc1nccc2ccsc12	310371945	XPBZVPBLZAVTDD-NSHDSACASA-N	248.395	4.533	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCCC12CCCC2	310799731	WXNZXWBXOHKYDR-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
OC1(CC/C=C/c2ccccc2)CCCCCC1	324126721	JJRMPLXLYJJRGJ-WUXMJOGZSA-N	244.378	4.565	0	10	BJAE	
CCN[C@H](CCC(C)C)C[C@H]1CCC[C@H](C)C1	379810137	PAQFFRJHWOIMAI-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@H](O)CCCCCC(C)C)CCCC1	383117666	BENJXTREMCSRLG-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](CC(C)C)c1ccccc1CCC	384630057	JWYMIGIAHVQUMS-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H]1CCCC[C@@H]1C	384858163	NLEOPZNQNOVQJU-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)c1ccccc1C	384893030	YWXVPPLNUDDWFZ-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CC(C)(C)NC[C@@H]1CC[C@@H]1CCC1=CCCCC1	384957641	MVWKEORMHJMXLP-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C[C@@H](C)c1ccccc1)C(CC)CC	385102763	HYDAVMGOFRMWGV-PBHICJAKSA-N	247.426	4.595	0	10	BJAE	
C1CCC(C[C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1	385961410	FJKJZTGCVPMALQ-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CSc1cc(F)c(C(F)F)c2ccsc12	396234467	GIWYBXCJAHHZEV-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC1CCC(CCC2CCC2)(CNC2CC2)CC1	398683157	ZBKPXSFPEIKMQI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@H]1CC1=CCCC1	400629541	KPEDWPRNYSQRRL-DLBZAZTESA-N	249.442	4.683	0	10	BJAE	
Cc1cc(C)c(CCC2=CCCC2)c(C)c1	401130569	WIRJJTSCRLFAQL-UHFFFAOYSA-N	214.352	4.655	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CC2	402212140	NKFZPWYDVUFCND-VGWMRTNUSA-N	248.410	4.764	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1C[C@H]2C=C[C@H]1CC2	402214033	OLGPKSHVNWRXNU-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](C)CC1CCCCC1	689833299	ZMDRAMUPRNSWSS-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](NC1CCC2(CC1)CC2)C1CCCC1	695684974	WKGGPGQMWJLOTE-INIZCTEOSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cc2cc(C)ccc2o1	696561873	PNGKKEQDNXBPBE-ZDUSSCGKSA-N	246.350	4.601	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H](C)c1ccccc1	697771375	TUZJJSUNNAIWOC-DOTOQJQBSA-N	245.410	4.515	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@H](N)C(C)(C)CC	701135698	GXULJSZCUWBHOK-IMJJTQAJSA-N	247.426	4.580	0	10	BJAE	
CCC(C)(C)c1csc([C@@H]2CCC[C@@H]3C[C@@H]32)n1	709475389	GSGNYZJEKCFWLH-UTUOFQBUSA-N	249.423	4.734	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1CCCC[C@H]1C1CC1	710135633	HEWUAAPGPZYNNK-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](CCCC1CC1)C12CCC(CC1)CC2	710161635	XLCUHMYPQJODTI-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC(=O)c1cc(C)oc1C)C(C)(C)C	711096548	QWKMNIIDLWJXHU-GFCCVEGCSA-N	236.355	4.542	0	10	BJAE	
CC(C)c1ccccc1C(=O)C12CCC(CC1)C2	711123104	UZNWQUIDXRGHCX-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)CC(C)(C)C(C)C	713176286	UOAAPHSLXPCFHS-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)C[C@H](O)[C@]1(C)CC[C@H](C)C1(C)C	713216890	HVLKPENGOFTSCD-XEZPLFJOSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)[C@@H]1CCCCC1(C)C	713248210	FRSLOZUTOYZIIE-KBPBESRZSA-N	240.431	4.636	0	10	BJAE	
C=C/C=C/CC[C@@H](N)C1CCC(CCCC)CC1	713759144	CFONYTZMFJKSFA-SMNWRDTRSA-N	249.442	4.833	0	10	BJAE	
CCN[C@@H]1c2ccccc2[C@@H](CC(C)C)[C@H]1CC	714345590	YDNVBFHCBKOCOH-COXVUDFISA-N	245.410	4.507	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1sccc1Cl	718712403	VCBMLLRQPGUDHU-UHFFFAOYSA-N	242.771	4.721	0	10	BJAE	
CCN[C@@H](CC(C)C)[C@@H]1CCCCCC1(C)C	719216656	KKTRLKPHCCKJRI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(NCC2CC(C)(C)C2)cc1	723589389	XGIUBVRTOLLLOL-UHFFFAOYSA-N	231.383	4.658	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)c1ccccc1F	1258079637	SDIHSUNYYLOZQU-KGLIPLIRSA-N	249.373	4.611	0	10	BJAE	
Cc1cccc(Cl)c1CSc1ccccc1	1307257277	DJPTWWGFLGTAGL-UHFFFAOYSA-N	248.778	4.941	0	10	BJAE	
C=C/C=C/CCN[C@@H](CCCCC)C(C)(C)C	1459831147	CQTYGYHAZKKETP-HQPKTYMTSA-N	237.431	4.703	0	10	BJAE	
CCC(C)=CCc1ccc(Cl)c(C)c1	1888060228	BQMWSYAWEBKMCA-UHFFFAOYSA-N	208.732	4.547	0	10	BJAE	
CCC(C)=CCC[C@H](C)CC(F)(F)F	1888066318	SHUIWAIBZPZHMR-JTQLQIEISA-N	208.267	4.711	0	10	BJAE	
CC(C)=CCc1c(Cl)ccc(Cl)c1F	1903465667	VQVBVPUIRCGNGC-UHFFFAOYSA-N	233.113	4.641	0	10	BJAE	
CC=CC[C@@]1(CNC(C)C)CCC[C@@H](CC)C1	1911940715	BFFSWQXLKJKVON-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CCCCC=Cc1ccccc1)NC	1911980879	YRCYSMWMYYHVPU-QGZVFWFLSA-N	245.410	4.648	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1N[C@H]1CCC2(CCCCC2)C1	1915915138	VUAZMANWTSWKHZ-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H]1CCC2(CCCC2)C1	1916416169	WYBKVZPORKKQHO-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(CO)C1CCCCC1	1923889278	UQJJVWLAEAXMOR-INIZCTEOSA-N	238.415	4.702	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@@H](C)C1CCCC1	1924085038	APASUHSZOGHSKW-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)[C@@H](C)C1CCCC1	1924100562	XQOPXWWFERJFOW-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@H](C[C@H]1C=CCCCC1)NC	1925758390	TXZMGMKKRZRBRX-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C[C@@H]2C=CCCCC2)CC1	1925903586	UMYFVDKQQQIAKF-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@]1(C[C@H]2C=CCCCC2)CCCCCN1	1925926056	FCKAPBPSESUJIO-IRXDYDNUSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H](C)C[C@@H](CC(CC)CC)NCC	1926377556	GRPTWVKOKWNDNL-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
FC(F)=Cc1ccc(-c2ccc(Cl)cc2)o1	1927576328	UJBDLSVSWSQNSY-UHFFFAOYSA-N	240.636	4.837	0	10	BJAE	
CCCCCC[C@@H](NC)[C@H](CCC)C(C)C	1936206604	IBBYINBIMKJSDJ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1(C)CC(C)(C)C1	1936670575	QAMQWQMOOPTIAU-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)C[C@H]1C=CCCC1	1947589783	XVCQHERJWXADBA-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)NC1C[C@H]2CCCCC[C@@H]2C1	1947854882	BYRVDWGCISJDJO-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CC[C@@](O)([C@H]1CCC2(CCCC2)C1)C(C)(C)C	1949431151	AWEMYEXONNLIHZ-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)[C@H]1CC[C@H](C)C1	1949518434	MBDTTWLDROEPIG-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H](O)[C@@H]1CCCC(C)(C)CC1	1950913323	GHBHMRUYVJXLNH-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@H]2CC2(C)C)CC1	1950918843	LPSIKQAXOSELAZ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CCCC2CCC2)CC1	1950924141	JZQDBLUGIUUCBC-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(OCC[C@H]2CCC[C@@H](C)C2)c(C)c1	1968395816	BAPPYMJOQFCRES-CZUORRHYSA-N	246.394	4.899	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CCC2)C1)c1cccs1	1968431188	XIXNZDDCUOLXOH-QWHCGFSZSA-N	249.423	4.512	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@@H]1CCCC2(CCC2)C1	1969953155	AKZOYZQDJHCRHJ-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCC2(CCCC2)C1	1973164107	OBXDLRILRBXPOW-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC(=O)[C@H](CC)C1CCC(C)(C)CC1	1975957814	LSOOLZOOLBDKRX-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@H](C)CC(C)(C)C	1976003602	OJNUBENPUGAJCY-QWHCGFSZSA-N	228.420	4.636	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCCC[C@@H]1CC	1984592468	CNLUTHQTKJOVQA-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
C/C=C/CCC[C@H](O)C[C@@H](C)CC(C)(C)C	1984603805	QIAXLRANTSKVOQ-AFJNRPGYSA-N	226.404	4.556	0	10	BJAE	
C/C=C/CCC[C@@H](CCC(C)(C)C)NCC	1984640929	VZHFJWCHKRPNKK-OWNNVSBGSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC[C@H](C)CC1	1990090581	DHUNZFGCIZJDFZ-KKUMJFAQSA-N	225.420	4.514	0	10	BJAE	
Cc1ccc(N[C@@H]2C=CCCCC2)cc1Cl	1990969954	XHGJASWDWDHZCE-GFCCVEGCSA-N	235.758	4.559	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CC(C)C)NCC	1995263505	RQQDMSRVVMJQIL-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC/C=C/CN[C@@H]1CCC[C@H](CC(C)C)C1	1995875633	VCWULGLCSMLVOR-YCZSJOHXSA-N	237.431	4.537	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@]1(C)C[C@@H]1C	1996563905	KSNDJCQKRCMJOU-WFASDCNBSA-N	249.423	4.645	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)[C@]1(C)CC=CCC1	1997612676	UAZXWNYMLOKUKB-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C=CCCC1)C1CCCCC1	1998381557	XPUZKNNPKHESLN-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC(C(=O)C[C@H]2CCC=CCCC2)C1	1999981702	QOQFKINYHVULJA-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)N(CC(C)C)C[C@@H]1CCC[C@@H]1C	2000904685	ICGPLGCZCIVKPQ-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)N(CCC(F)(F)CC)CC(C)C	2000905598	MFBZZEKNPOJFRK-UHFFFAOYSA-N	249.389	4.568	0	10	BJAE	
CCC[C@@H](C)[C@]1(N)CCCCC12CCCCC2	2001571456	HIIPRAHOADZBEX-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H]1CCC12CCC2	2001850976	KDGVGFSXLQPRPA-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CN)CCC12CCC2	2001859143	IKIJYABEKZNATA-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
CCCCCC1CCC(CNC(C)(C)C)CC1	2003108473	MLXSEAXDGKZXPE-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CC[C@H](O)C1CCC(C(C)(C)C)CC1	2004229420	SFZYVVMGZZCFBG-NRXISQOPSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C1(O)CCC(CC)(CC)CC1	2004353536	QGCLMGMVAAWTRU-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CCC1(CC(=O)[C@H]2CCC[C@@H]2C(C)C)CCC1	2007621768	GNQOVPCWCDNUGT-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC(O)(C=C1CCCCC1)CC(C)C	2007926600	PAKIKNUPQMCZHB-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CCC[C@@H]2CC2(C)C)CC1	2009405463	ZFVVDUSHIRCPJJ-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H]1CC[C@H](C)CC[C@@H]1NCCC	2009407098	KXFDCIZQQKHAQJ-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC=CCCC[C@]1(N)CCC[C@H](CC(C)C)C1	2009569108	LDHLRWFNPILMKG-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@H](N)[C@H]1CCC[C@H](CC)CC1	2009597409	DBLKDDVGRQLRRY-JYJNAYRXSA-N	237.431	4.667	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)C1=CCC(C)(C)CC1	2010712989	KVNHXEFXWYQYPY-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C)C1CC(C)(C)C1	2013269980	DLQLIUUHZGVTJR-HIFRSBDPSA-N	239.447	4.616	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@H]1CC12CCCC2	2013295931	INPMREMIHUDALL-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](O)CCC(C(C)C)C(C)C	2015334679	HRPNONSXHBDCFA-HNNXBMFYSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(CC[C@H]1C[C@@H](C)CCC1=O)C(C)C	2015386691	FCTXXPDFQFJJDT-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C)c1csc(C2(CC3CCC3)CC2)n1	2015793439	NNYUJTORSGYGCS-LLVKDONJSA-N	249.423	4.878	0	10	BJAE	
CC[C@@H](CNc1cccc(C2CC2)c1)C(C)C	2016106144	KYNSWBRUZADBCG-ZDUSSCGKSA-N	231.383	4.658	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CCCCC1(C)C	2016150836	YJHRWNAIUKTDKE-LSDHHAIUSA-N	237.431	4.680	0	10	BJAE	
CCCCC1CCC(N)(C[C@@]2(C)C[C@@H]2C)CC1	2016465730	GBEVLGYFBMXYFI-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](CO)C(C)(C)C)CC1	2017714022	CUWZWZUZCSUXTF-RBSFLKMASA-N	240.431	4.638	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1CCC[C@@H](C)C1	2018130568	JVTLHMDXFVQLQU-OWCLPIDISA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@@H](CC)NC1CC(C(C)(C)C)C1	2018134207	MOGDMNOWIZWTTE-SHARSMKWSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@@H](CC)[C@@H]1C	2018138280	FFBRWPJNMQFNHL-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@H]1CC[C@@H]1N(C)CCCC(C)(C)C	2019325904	PVCOTFRRQCSYPE-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H]1CC[C@H]1CC(C)C	2019373800	DACCZXKALJITKW-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CCC(C)(C)CC	2019382675	RSQDMVBWHIBCJN-OAHLLOKOSA-N	241.463	4.959	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC1(O)CCC(C)(CC)CC1	2022450052	CKEXMGNMOKBTMM-WXLSXGNJSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H](CC[C@H](N)C2CCCC2)C1	2024101599	LYEHZCQAQLFTTO-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC(C)(C)C1(C)C	2025061766	OPPFMAKWHNPOEO-MELADBBJSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CCC1CC1)NCC	2026170140	NOSMHJUMYHLQHE-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)c1cccc(C)c1	2027732634	PUSIVLNGYMGIAW-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)c1	2027792499	FMJPYLNQFIENFW-KCYZZUKISA-N	245.410	4.786	0	10	BJAE	
Cc1cc(F)cc(C(=O)CCC[C@@H]2CC2(C)C)c1	2027842911	MOOBBJJSOXPFLR-CYBMUJFWSA-N	248.341	4.533	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@@H]1CCCC2(CC2)C1	2027856058	UUQBUZRJAAKEDM-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](C(=O)c1cccc(CC(C)C)c1)C(C)C	2028258469	RYVJBVPKGHPANA-MRXNPFEDSA-N	246.394	4.750	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)c1cccc(C2CC2)c1	2028558023	SLAZFSNDHIBGMU-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
C[C@@H](C[C@@H](N)c1ccc(C2CC2)cc1)C(C)(C)C	2028590142	GWCZTOSFSFLPJR-BLLLJJGKSA-N	245.410	4.636	0	10	BJAE	
O=C(CCCC1CCC=CCC1)c1ccccc1	2028872330	DJTDYAGHPSQJPA-UHFFFAOYSA-N	242.362	4.786	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1CC1CCC=CCC1	2028908971	WVHRGUHIKNYOSW-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCC[C@]1(C[C@@H]2[C@H]3CCCC[C@H]32)CCCCCN1	2032826491	XTXXROXFHMTHGR-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1	2033483689	MWUPQJSVFXIJON-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
N[C@@H]1[C@@H]2CCCCCCCC[C@H]2C12CCCCC2	2035892451	RRSLUWFMXIRZJM-BZUAXINKSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1C[C@H]2C=C[C@H]1CC2	2036949509	KNAJFNVSWQOQJF-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@H]2CC=CCC2)CC1	2037167564	XUZBQPSRXAQKGP-BBWFWOEESA-N	249.442	4.667	0	10	BJAE	
N[C@@]1(CCC2=CCCCC2)CCCC[C@H]1C1CC1	2037171472	IZMRNWCSZBFHQJ-DLBZAZTESA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H]2c3ccccc3NC[C@@H]2C)C1	2037223686	KKMFKYMDZNOYNF-XJIUQZFPSA-N	243.394	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@H]2CCC3(CCCC3)C2)C1	2037673687	YOIFIYMTMYQKBI-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@@H]1CCC2(CCCC2)C1	2037692485	UHKCTEBTDXLWJR-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@](C)(O)c2ccccc2)C1	2038167631	SFDVZISFEJFBHO-HLLBOEOZSA-N	246.394	4.501	0	10	BJAE	
Cc1ccc([C@H](N)[C@H]2CCCC(C)(C)CC2)cc1	2039374755	HXPRSSJQFDBIMQ-GOEBONIOSA-N	245.410	4.601	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CC1	2039386185	PYQOXJSCNKBIPM-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC([C@@](C)(N)C[C@@H]2CC=CCC2)CC1	2040644145	KJWJRTSYFKGIOU-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC[C@H](C1CCC1)N(C)C[C@@H]1CCC=CCCC1	2045311310	IXPAQFHLPUQLSE-NVXWUHKLSA-N	249.442	4.633	0	10	BJAE	
C1=CCC[C@H](CN2CCCC23CCCC3)CCC1	2045314393	JPVLNDQTKCUWCG-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CC(C)CCCC(=O)c1ccc(CC(C)C)cc1	2045584683	JATXFSZEVYJFQY-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)C[C@H]1CC12CCCCC2	2047013146	SZBSDRJMJJUVIA-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
C1=C[C@H](N[C@H]2CCCCC23CCCCC3)CCC1	2047595314	ILBQLLNZZGFKEL-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048443538	PNDYNHYUABYHKE-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC1[C@H]2CCCCC[C@H]12	2048468339	FDLUPBSELOCZSY-QEJZJMRPSA-N	248.410	4.598	0	10	BJAE	
CC1([C@H](N)C2[C@@H]3CCCCC[C@@H]23)CCCCCC1	2049220295	VZZDYZKILJUPPN-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C[C@H]2CCC3(CC3)C2)C1	2049936126	PXLNYOJMOZIJKA-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H]([C@@H]1CCCC[C@H]1C)[C@]1(C)C=CCC1	2049996581	HUXKCIGVVZEIGA-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@H](C)C1)[C@]1(C)C=CCCC1	2050008635	VJKOVOULUSONSQ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1CC(CC2CC2)C1	2050218703	BOLBQASSHMWJOP-IUDNXUCKSA-N	246.394	4.518	0	10	BJAE	
CC1(C(=O)C2CC3(CCC3)C2)CCCCCCC1	2052500109	DJSQKGVYULMLPD-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1(C(=O)c2ccccc2F)CCCCCCC1	2052500227	FWEKGCKODFGTJS-UHFFFAOYSA-N	248.341	4.759	0	10	BJAE	
CCNC[C@]1(CC2(C)CC2)CCCCC12CCC2	2053361831	UYLIXWVLCFQLIO-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCC[C@@H]2C(C)C)c(C)c1	2056447606	COUOWCNUPYKYCD-GDBMZVCRSA-N	244.378	4.558	0	10	BJAE	
CCCNCC1(C2CCCC2)CCC2(CC2)CC1	2056557782	XYLMBSMCSNNQBV-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(C(=O)CC2CC(C(C)C)C2)cc1C	2056669650	MRWNVHPVUCPTGA-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C2CC(C3CCC3)C2)C1	2056685210	MLKYVMPYGMDVIH-WLYUNCDWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)c1ccccc1	2056873268	LRVHYQPLFHBRQK-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)C1CCCCCC1	2056875703	JLSPGYQLCVFLPV-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC=CCCC[C@@H](CC1CC2(CCC2)C1)NCC	2059250178	OBGUNLZKDNWYKC-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1c(C)coc1CC	2059261692	GSSPLBAJVJPRLA-LHRNQBEKSA-N	249.398	4.547	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1CC(C2CCC2)C1	2059262492	MRCISMDSUNLKOZ-LHMSZOIRSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(N[C@@H](CCC)c2ccccc2)C1	2059392186	NGCKDAKITOTDGV-PREGVCBESA-N	245.410	4.696	0	10	BJAE	
CCCCCC1CC(NC2CCC3(CC2)CC3)C1	2059398800	YCGSFCUJCJTTBB-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
C[C@H](C[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1)C1CC1	2061088494	NGMVBZPKPMQGIB-UHOFOFEASA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H]1CC=C(C[C@@H](N)CC2CCCC2)CC1	2061149742	FUYRBGBGLGZPHK-IRXDYDNUSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1NCC	2061561957	XZSPHEJVEWHJKB-BZUAXINKSA-N	249.442	4.548	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@]12CCC[C@H]1C2	2061602872	PZSXIQJRVJJISS-GUYCJALGSA-N	242.362	4.573	0	10	BJAE	
CC1([C@@](C)(N)CC[C@]23CCC[C@H]2C3)CCCCC1	2061616633	KUFYXQYAYZGRFV-XIRDDKMYSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CC2)C1)[C@H](C)C(C)(C)C	2061736109	BSMGRVUPUSPTMI-LRDDRELGSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063490165	IUFLUCCLXVAJPT-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](Nc1cc(C)cc(F)c1)c1occc1C	2063673435	ZUMQRUKVIIWCOD-CQSZACIVSA-N	247.313	4.599	0	10	BJAE	
CC[C@@](N)(CC1(C)CCCCC1)c1occc1C	2063676782	BYAWCNIMNXWLTL-MRXNPFEDSA-N	249.398	4.513	0	10	BJAE	
C[C@H](NC1C[C@@H]2CCCC[C@H]2C1)C1(C)CCCC1	2067510959	YTBZUYRYFWNPDR-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@H]2CCC2(C)C)cc1	2068288544	CQAQJFAACFXKJL-MAZHCROVSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(C[C@H]2CC23CCC3)C1	2069175060	NEDUATUXLNXJFO-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN2CCC[C@]3(C)CCC[C@H]23)CCC1	2069273723	PSCRXPUVKWMWTE-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNC1(CC2CCC2)CC1	2069561698	LQCJAAWOMGHSOS-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CCN[C@H]1CCC2(CCCCC2)C1	2071465018	IBEAKSPRYNGZPI-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@H]2CC=CCC2)CC1	2072793695	MPRYVJHUQOOOJN-GQGLESIBSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(CC(=O)C2C[C@H]3CC[C@@H]3C2)CC1	2072881550	KLJHULWVTZITMJ-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccccc1COC	2073345261	HJTGULXTBWKWHS-HNNXBMFYSA-N	249.398	4.604	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)c1ccccc1C	2074642491	VKBPTHQFUJJILO-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC1(C)CCC[C@](CN)([C@@H]2C=CCCCC2)CC1	2075372664	ILOAYVVBJAEIBL-WBVHZDCISA-N	249.442	4.668	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@@H]1C[C@@H]1C1CCCCC1	2079426397	ARVFZRXTTUSNIB-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@H]1C[C@H]1C1CCCC1	2079842176	MYNKRPUYLOIZLI-DZKIICNBSA-N	248.410	4.598	0	10	BJAE	
CC1(CCC[C@]2(N)CCC[C@@H]3CCCC[C@@H]32)CC1	2081121595	GJBMABMMAYJXRL-YQQAZPJKSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1CCC2(CC2)C1	2081779123	FNEUOYJTJUMADJ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](CC2CCC3(CC2)C[C@H]3N)C1	2082976517	RFRPWMHKSPRKFJ-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@H]1CCCNC12CCCCC2)C1CCC1	2083814546	RJHWWVZCIRDXGS-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](O)CCCCCCC1CC1	2210527359	QORPBCFFFDIYQD-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
O[C@H](CCCCCCCC1CC1)C1CCCC1	2213581668	ZKQMAWJYWSNBMR-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CNC(C)C)CC=C(C)CC1	2215827323	VETJOYLTUABSMX-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)[C@]1(CNC(C)(C)C)CC=C(C)CC1	2215841078	VRELBVFKJDFWQJ-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CCC(C)(C)C)C(C)C	2217137268	KKACDYOMEHZVQC-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CCCCCC1(CN[C@H](C)CC)CC(CC)C1	2217152772	HGKFODDHMSOJCQ-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CC1(CCCC(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218329560	CPFYJRVTVZCVTH-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CCCCCCC(=O)c1ccc([C@@H](C)OC)cc1	2219433101	GVUMXQWWGRUEDH-CYBMUJFWSA-N	248.366	4.547	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C2(C)CC3(CCC3)C2)CC[C@H]1C	2221007129	ZOTILGSBMCGIBY-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1NCC1(C)CC2(CCC2)C1	2221026704	YNUSRIQSXOLPEG-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
CCCC1(C[C@H](N)[C@@]2(C)CC=C(C)CC2)CCC1	2221613080	BVJDSLWGMUTOKR-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CCC1CC(C[C@@H](NC)[C@]2(C)CC=C(C)CC2)C1	2221621662	FQWIYNPETZZCCR-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](c1c(C)cccc1C)[C@@H](C)C(C)(C)C	2221997313	USANUWDHODHJHX-ZBFHGGJFSA-N	247.426	4.636	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CNCC2(CC2)C1	2223164417	WPLHPPUJRWHIDT-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)CC[C@@]1(CNC2CCC2)CC12CCC2	2223583093	ANBZKMHNXNUQHC-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H](CC)CCC	2244774732	INYATBIHZFVJCX-RBSFLKMASA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1(CCC)CCC1	2244783751	RIGDHYHMUIDSDG-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)CC1(C)CC(C)C1	2246457102	NCSZPYOEMWQNSU-PWUWZPNHSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CCCC[C@H]1CCC[C@H](C)C1)NC	2246659440	IMGULIMTSJYZFF-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC[C@@H]1CCC[C@@H](C)C1	2246723886	BYTOXCKLVSQGOW-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C[C@@H](N)C[C@H]1CCC1(C)C)C(C)(C)C	2247308875	HFYLTSNWWXNAAM-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CO)CCC12CCC2	2247353979	IPIAURVUVCFINH-HOCLYGCPSA-N	238.415	4.536	0	10	BJAE	
CC=CCCCCc1ccccc1OC(F)F	2248036553	CXRRVKBJIFWKOF-UHFFFAOYSA-N	240.293	4.577	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)[C@H]1CC12CCC2	2248291798	OORNMKPOWKGQGV-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(N[C@@H]2CCC(C)(C)C2)cc(C)c1C	2249490675	JMIUIICYFOXOPP-CQSZACIVSA-N	231.383	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@]1(C)CCCN1	2250469616	QLCMITKUIAELOB-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)[C@@H]1CC12CC2	2250470406	ZRMSADAJNAHYHE-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(N)CCC1(C)C	2250476910	RHHMMEGBWZDIAG-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)N(C)CC1CC(CC(C)(C)C)C1	2251581614	CKLGBBUBZJWSPC-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)C1)[C@@]1(C)C=CCC1	2253771731	LZGHCJMNSGJCND-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CC1(CCC[C@H](N)C[C@@H]2CCCCC23CC3)CC1	2253805202	FWFDEQWQYKHDCB-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC1(C[C@@H](N)C[C@H]2CCCCC23CC3)CCCC1	2253807545	CVVUJRFIVVUEMM-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCCN1CC[C@H]1CCCCC12CC2	2253858580	WAHGPGFFURPULM-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@H](N)C23CCC(CC2)C3)C1	2253936594	SFJQHSDCMPKKOT-ZPBWDRIISA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(NCC[C@@H]2CCC[C@@H](C)C2)CC1	2253950776	GGMXIUZDNTVRKO-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCCN(CC1CC2(CCCC2)C1)C1CCCC1	2254116897	WOXKSPAHVHBQKO-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CC[C@@H](C(C)(C)CC2=CCCCC2)C(=O)C1	2255135399	FDVSFODBVTUQJS-DZGCQCFKSA-N	248.410	4.908	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C[C@H]1CCCC12CC2	2255226592	WFXBJGMVEQQPAP-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1c(F)cccc1NCCCCC[C@H]1C[C@@H]1C	2257337958	GRGDCCJPJUJLKI-JSGCOSHPSA-N	249.373	4.762	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1(N)C[C@H]2CC[C@@H](C2)C1	2257362115	PXTUVHLAWXSSAN-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCCCCC(C)(C)CNc1cc(CC)ccn1	2257697205	BTPBJRPCEUUGPC-UHFFFAOYSA-N	248.414	4.662	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@]12CCCC[C@@H]1CC2	2260501005	NNNHEWIHNMGRHV-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@@]12CCCC[C@H]1CC2	2260501866	QDHUHTNDGJKXFU-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1OC[C@@]12CCCC[C@@H]1CC2	2260648401	RSXYCRVTILKDHZ-WBVHZDCISA-N	244.378	4.653	0	10	BJAE	
CCCNC[C@@H](CCC(CC)CC)C1CCC1	2300680150	ANOMJFZNXVVPGI-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@@]1(CC=C(C)CC)CCCC[C@@H]1C	2300869000	DYNAIYTVECEUCJ-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC(C)=CC[C@H](NC)C1CCC(C)(C)CC1	2300870111	QQKMMGKPYBJHSX-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCC1(C)C	2301908204	QGNRYPDXEMYSKK-CQSZACIVSA-N	235.346	4.550	0	10	BJAE	
CC(C)CCCc1ccc(F)c2ccccc12	2302231415	RXASGQXDUHMCGV-UHFFFAOYSA-N	230.326	4.958	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CCCC2=CCCCC2)C1	2302332034	RFRUGQLJAVACLX-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@H](C)CC(C)C	2302581239	ZELOQEBLRRRSCJ-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCCC[C@@H]2C[C@H]21	2302994631	UMHKFRRICICGQE-YRGRVCCFSA-N	249.785	4.639	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)CCCCC1CC1	2303443007	QJMMIXKWPWCIIP-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@H]1CC[C@@H]1C(C)(C)C	2303478590	RVBZGNUGZUKILK-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@H](C[C@](C)(N)[C@@H](C)C(C)C)CC1	2303515474	ICGJPNXGCNISFA-XHSDSOJGSA-N	237.431	4.523	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@H]1CCC(C)=C(C)C1	2303528100	ZBCJKSQBFVEILR-HZPDHXFCSA-N	237.431	4.811	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](CC)C[C@@H](NC)C1	2307906560	GIITVDBDYWNBHQ-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2309180571	FXHGRCLMFSLMIE-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCCC1CC(N[C@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2310194034	VIGLHVYYKQBVDE-LZYVMWMOSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CC1)N(C)[C@H]1CCC2(CCCCC2)C1	2313598558	GMUSKGGHKIDYEH-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1cc(C(C)C)ccc1C	2315875363	WUYSVUJJKBUDLW-GDBMZVCRSA-N	245.410	4.967	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1(C)CC=CC1	2315883437	ODFDOTXHCNORDU-UHFFFAOYSA-N	243.394	4.887	0	10	BJAE	
CCC(C)=CCNC[C@H]1C[C@@H]2CCCCCC[C@@H]21	2316487507	BYTUSMJJWSYRDL-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1N[C@@H]1CCCCC12CCCCC2	2316594598	LATIKBZBOZDGPE-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)C=CCC1	2316883009	FIXHATLVYMZWQL-QBYUYEEZSA-N	246.394	4.518	0	10	BJAE	
COc1c(C)cc(NCCCC(C)(C)C)cc1C	2317376548	CEZILFPAEUIOQP-UHFFFAOYSA-N	249.398	4.550	0	10	BJAE	
C[C@@H]1CC[C@@H](NCCCC2=CCCCC2)C[C@H]1C	2318532033	SVDBQHXCRLZNRA-BFYDXBDKSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2318937858	DNMCQVKHQSFIRY-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(CN)CC23CCCCC3)C1	2319071224	HUVNVTKCRAQBMK-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@@]12CCC[C@H]1CC2	2320220106	UCSROYZPZBUKFM-ZJOBFFGXSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@H]1C(C)(C)C)c1ccccc1	2320296010	JSBBYAOUTVSXGH-PMPSAXMXSA-N	245.410	4.552	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCC[C@H](C)[C@H]2C)CC1	2320326200	DAMGFIALSPQNQO-RKTXRCNFSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@@H]2CCC[C@H](C)C2)CC1	2320341685	WTLJXFNTJFCTTN-WBQNTZJQSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(CC(C)C)CCCN2)CC1	2320348068	NBJHPGZNNYMBGX-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@@H]2CCC(C)=C(C)C2)C1	2320394371	OXOGZHYJQKUBMY-MNAZLIDISA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNC2CC2)CCC(C)=C(C)C1	2320396893	KHHOWZTUFBKQOU-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@@H](C)[C@H](C)C(C)C)c1	2320526130	WFNFPTMQSUAJHK-JKIFEVAISA-N	247.426	4.738	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](C)[C@H]2CCC2(C)C)c1	2321089771	RQCVBZGWOHKBFE-XHDPSFHLSA-N	249.373	4.625	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@](N)(CC2CC2)C2CC2)C1	2321601886	BVZCWDDYIZLDHA-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1coc2ccccc12	2328270842	CNMMRARSKWUGPF-DOMZBBRYSA-N	245.366	4.649	0	10	BJAE	
Cc1ccc(N[C@H](C)CCC(C)C)c(Cl)c1	20471112	QDHXCSSETQTKCM-GFCCVEGCSA-N	239.790	4.885	0	10	BJAE	
CCCCC[C@H](N)c1ccc([C@@H](C)CC)cc1	20481357	JZXKHADRKCQPFB-BBRMVZONSA-N	233.399	4.780	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc(F)cc1Cl	20594723	GVTXNTIEGSDXNV-JTQLQIEISA-N	243.753	4.860	0	10	BJAE	
CCCCC[C@@H](NC)c1ccc(CCCC)cc1	35492957	YFIJZCQOYUKMJW-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
CCCCCC[C@]1(O)CCC(C)(C)C[C@H]1C	88132255	HJRMGLPHCVWXKW-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
Cc1cc(C)c(NC[C@@H]2CCC[C@@H](C)C2)c(C)c1	89607907	BGNYSEKVCGSAEW-MLGOLLRUSA-N	245.410	4.850	0	10	BJAE	
CC(C)CC(=O)c1ccc(Cl)c2ccccc12	93655807	AYPHXTPUSJGOCC-UHFFFAOYSA-N	246.737	4.722	0	10	BJAE	
CCCCC1CCC(CO)(CCC(C)C)CC1	97148729	ZFDCYPFTCRSLDS-UHFFFAOYSA-N	240.431	4.782	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1c(F)cccc1F	107506041	CAHAGAIEIZECDJ-ISALQUGTSA-N	224.294	4.815	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1C[C@@H](C)CC(C)(C)C1	109939550	WYKRDNVCKVGKGZ-DGCLKSJQSA-N	249.373	4.761	0	10	BJAE	
CC(C)(C)CCC1(N)CC(C)(C)CC(C)(C)C1	124992481	FVFIRRJHYKPUGR-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)[C@@H](NC)c1cccc(CC(C)C)c1	131713508	OXIHFBAQJGAODN-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
FC(F)(F)c1ccc(Cl)c(Cl)c1Cl	137557743	HVYQJEDLPSKQGC-UHFFFAOYSA-N	249.446	4.666	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H](C)c1ccccc1	159804194	OGMDLCZXUHZLCK-SQWLQELKSA-N	233.399	4.552	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1c(C)cc(C)cc1C	164021736	FOIMDYFLMKBHMA-GJZGRUSLSA-N	231.383	4.602	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCC[C@@H]1C(C)C	214917698	PPOHFMLMRQXLPU-CVEARBPZSA-N	239.447	4.760	0	10	BJAE	
CSc1ccc(N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1	221618303	BWXYBYHJXPFUPD-XUJVJEKNSA-N	249.423	4.645	0	10	BJAE	
Fc1cccc(OCCCCCCC2CC2)c1	222817547	UKYWDTHGOQAPHA-UHFFFAOYSA-N	236.330	4.565	0	10	BJAE	
CCN[C@H](CCCC(C)C)c1cc(C)cc(C)c1	229181575	MHTNYASEOYIEGF-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCC[C@H](C)C[C@H](O)C[C@@H](C)CC(C)(C)C	229271377	WPEUOIXKLILICF-MJBXVCDLSA-N	228.420	4.636	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C(C)C)C2)cc1	230986397	AZOJHPVRRSQZBE-HOCLYGCPSA-N	231.383	4.622	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@@H](C)C[C@H]1C	250828067	OWHGOQLAMBCCCD-LVQVYYBASA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@H]3CC[C@H]2C3)C1	251102609	DRZKUDQRCGSBCC-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H]2CNc3ccc(Cl)cc32)C1	300243649	QOJGCZZEESSRGO-UHIISALHSA-N	249.785	4.675	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C(C)(C)CC	300806015	FEJMDWFPSDQJJU-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CSc1ccc(NC[C@@H](C)CC(C)C)cc1	300922777	MZOITTVYNLIDCI-LBPRGKRZSA-N	237.412	4.503	0	10	BJAE	
CCCC[C@](CC)(CO)C[C@H](C)CC(C)C	300973288	SKRLZCUCNUHABQ-CABCVRRESA-N	228.420	4.638	0	10	BJAE	
CC[C@H](c1ccccc1)[C@@H](O)CCC1CCCC1	302296955	YROLLYGUQOEOGL-SJORKVTESA-N	246.394	4.512	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H](C)CC(C)C	304330508	AILLMICPCMHHJF-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)C)c1ccc(C)cc1	305946246	MHVPNNUEELFMJU-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)CCC(C)(C)C)C1	305990056	FAJILRDLUBCNCA-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
C[C@@H](C[C@@H](O)CCC1CCCCC1)C(C)(C)C	306024772	YZUZLMJUPGLKEK-ZFWWWQNUSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CC1(C)CCCC1	309363644	OJDCOSOVKFCCSU-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)C1(CCC)CC1	310137867	BLYHDLWVJIJSNI-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC1CCC(Cn2ccc3ccc(F)cc32)CC1	310928395	DQJYMIRKJNRNDE-UHFFFAOYSA-N	245.341	4.607	0	10	BJAE	
CC(C)(C)NC[C@@]1(CC2CCCC2)CC=CCC1	317583171	NLYKVROFSLKWIL-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@]1(CNC(C)C)CCCC[C@@H]1C	318131153	XEUOYKRIYMAJHZ-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCc1ccccc1[C@@H](O)CCCCCC(C)C	383580334	VVWMNDMVNBQPJI-KRWDZBQOSA-N	248.410	4.889	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](N[C@@H]2CC23CCCCC3)C1	387095860	DVKZUFGKGXFRAO-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
Cc1c(C(F)(F)F)cc(S)c2sccc12	396309537	VAJBMDBMXHUHMC-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
C[C@@H]([C@H](N)CC1CCC(C)(C)CC1)C(C)(C)C	399130419	OSBWSAPEDDEQDA-GXTWGEPZSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@@H](CC(C)(C)C1CC1)NCC	405723774	IZJJEYYFUAQBJW-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@H](O)CC(C)(C)C1CC1	405913753	ZLUSDDWXKYPCNK-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(Nc2cccc(C3CC3)c2)CC1	690074780	DVRAESVEHVGLRM-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CCCC[C@H](C)C(=O)CC(C)(C)C(F)(F)CC	691060577	NTAFRJXDAMZJFS-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1Nc1cccc(Cl)c1	691068461	MDZDFWISAGQSAZ-FZMZJTMJSA-N	237.774	4.721	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)C(F)(F)CC	692394580	DJPAXBFPDAEXDH-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCNC[C@@H](C[C@H](C)CC)C1CCCCC1	696836478	JFIYZFPVFZWIMF-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCC[C@H](O)C1CCC(C(C)C)CC1	697598009	HJUOALDEAMRJQZ-GPANFISMSA-N	238.415	4.556	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C1(CN)CCCCCCC1	704890699	LEIRWKMWWNUUEL-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CC(C)CC[C@@](C)(N)c1cccc2ccsc12	704936277	CHALLITWKZILGV-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
Cc1ccc2ccn([C@@H]3CCCC[C@H]3C)c2c1	704954095	VZPFIVLTDHZSDO-UKRRQHHQSA-N	227.351	4.701	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@@H](CC)C(C)(C)C	711066914	HCGUULUVCFPSIL-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CCCC[C@H]32)CC1	712377214	KVLQHPWJJHRVKA-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)CNc1cccc(Cl)c1F	713130099	NMIBWGHAZNEIIC-UHFFFAOYSA-N	243.753	4.573	0	10	BJAE	
CN[C@@H](c1ccccc1)[C@H](C)CC(C)(C)C(C)C	713143835	XJAILLIKGOKEQV-GDBMZVCRSA-N	247.426	4.656	0	10	BJAE	
CC(C)(C)C[C@@]1(O)CCCC[C@H]1c1ccccc1	713189389	RKFFWYXLIYBQAR-RDJZCZTQSA-N	246.394	4.512	0	10	BJAE	
C=C/C=C\CCc1cccc([C@H](C)CC)c1O	713681243	YQXAGJYVMVXSIC-FMFIFOJESA-N	230.351	4.581	0	10	BJAE	
C=C/C=C\CC[C@@H](CC(C)(C)CC)NCCC	713725812	MXJGPOVTBHGFFB-KVPUOBJLSA-N	237.431	4.703	0	10	BJAE	
C1CCC(CN[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1	714303071	IHONOZVTAPLHMM-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	714803377	HOLRANDVVQWODF-GDVJOBBMSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@@]1(C)CC1(C)C	717035590	PKYHJPRZLDNVJZ-QGZVFWFLSA-N	245.410	4.832	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)CCC(C)(C)C	718694372	SZFZQDJQBWIFEP-HNNXBMFYSA-N	226.404	4.700	0	10	BJAE	
CC[C@@](C)(CCC(C)=C(C)C)CNC(C)(C)C	718778342	ICLMPVZBTQEZBC-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(CNC2CC2)CC[C@H](C)C1	718780318	PTUAJNJWIVYHMN-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1C(=O)C(C)(CC)CC	721732354	RZVWXITZWRHOOJ-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CCC[C@@](O)(CC1CC(C)(C)C1)C1CCCC1	723583134	PZEZTYSYBKTGMM-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CC1CC(C)(C)C1	723596787	FLQZAZCXPDHWRT-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)SCc1ccc(C)c(F)c1	1641105487	DUUFJNRWKSKNHV-ZDUSSCGKSA-N	240.387	4.946	0	10	BJAE	
CCC1(CC)CCC(NC[C@@H]2CC=CCC2)CC1	1655451797	UBBWBKJACPLIMW-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H]1N[C@H]1CCCCC12CCCCC2	1875421257	ZCHGMEAGZNXZMA-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CC=C(C)CCCC(C)C	1900892963	OBGXVWIGUBWAKS-CABCVRRESA-N	225.420	4.523	0	10	BJAE	
CC1(C)CC(c2nc([C@H]3CC3(C)C)cs2)C1	1901913138	WNQSWBBYCRVERV-SNVBAGLBSA-N	235.396	4.560	0	10	BJAE	
CCc1cscc1N[C@H](C)[C@H]1CCC1(C)C	1902376172	FCXZYDWAESHOJU-ZYHUDNBSSA-N	237.412	4.547	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)C1(C)CCCCCCC1	1907077301	RNKKLHVZJCTJSH-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](O)C1CCCCCCC1	1908583226	PKJOUOCJBAGDHI-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1C[C@H]1C1CCCCCC1	1910660004	SKIXQYZGFUNAKT-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@H](O)c1ccc(C(C)(C)C)cc1	1911794477	ZGTICHOBOBENBH-INIZCTEOSA-N	244.378	4.540	0	10	BJAE	
CCCN[C@@H](CCCF)C[C@H](C)CC(C)(C)C	1913269233	ARCOVIXNCIJSLE-KBPBESRZSA-N	245.426	4.567	0	10	BJAE	
c1cc2cc(N[C@@H]3CC[C@@H]4C[C@@H]4C3)ccc2s1	1917349830	QIIKUBGDHUIPRV-RAIGVLPGSA-N	243.375	4.502	0	10	BJAE	
CCC[C@@H](C)C[C@@](O)(CC(C)C)c1ccccc1	1920030208	ROAOZNNOUBSFSU-WBVHZDCISA-N	248.410	4.747	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CC1CCC(C)CC1	1920201795	IPKJTCNTJQYZBZ-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@@H](C)C1CCCC1	1924099020	PPCBLYXETOBWBS-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](NC[C@@H]1C=CCCCC1)[C@@H]1CC1(C)C	1925825662	ZJZWAGSJMAADQH-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(NC[C@H]2C=CCCCC2)c1Cl	1925918213	RSGDJGMCYQNHOM-ZDUSSCGKSA-N	249.785	4.807	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@H]1C=CCCCC1	1925932489	FUEVWOGHBVWMOW-ZDUSSCGKSA-N	249.785	4.807	0	10	BJAE	
CCCC1(N[C@@H](C)CCC(C)C)CCCC1	1935524083	MRQDBAJSZQGWSZ-AWEZNQCLSA-N	225.420	4.514	0	10	BJAE	
CCC[C@@H](CCC1(C)CCCCC1)NCC	1935624833	HKVWYUWZKZJLAB-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2(C)CCCCC2)C1	1940378511	KGDBICPUQJWJCE-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CN[C@@H](CCCC1(C)CCCCC1)C(C)(C)C	1940405948	DNEBIBYXRBULBK-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@@H](C)C(C)(C)C	1940414575	JPPOVFDMDGJRBS-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H](C)C1CC1	1940717060	ASOONFXWTFDLGS-ZDUSSCGKSA-N	232.367	4.543	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@]1(O)CCCCC1(C)C	1940871666	FVZNTOSYIBFQMT-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)[C@H](C)CC(C)(C)C	1940873681	CQPIPCCVIBSLNV-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCSC[C@H](C)Nc1ccc(C2CCC2)cc1	1941166936	XRVFLRRQOVIZKP-LBPRGKRZSA-N	249.423	4.508	0	10	BJAE	
C[C@H](NC1CC2(CCCCC2)C1)c1ccsc1	1941799390	CDMHQXZCBOYTAD-LBPRGKRZSA-N	249.423	4.512	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C1(C)CC(C)(C)C1	1941985268	HRMXCGDINGGRHV-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CNC(C)C)C1CC1	1942089709	RJTYPDGKDPVGHE-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1([C@@H](C)CCC(C)C)CCCCCN1	1942664637	UAMJJEQPKMSQPN-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](CCC(C)C)C1CC1	1942800129	XLJUGAFYIUAPJU-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC1C[C@@H](C)C[C@H](C)C1	1944201951	GLWFBALOIWHEOW-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C[C@H](C)C1CC1	1944518851	YSFYRNJKUPXFTA-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(C)(C)C)C(C)(C)C1CCCC1	1944639962	BWJDEGRTMZIOFD-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(C[C@H]2CCC[C@@H]2C)CCCCCN1	1944847835	YZFOQUZRTYQNMD-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@]1(O)CCCCCCCC1(F)F	1947526502	RWMCGRSGDSJRTH-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCC(F)(F)CCC(C)=CCCNC(C)(C)C	1948067096	YOCWRKLCTKSVKR-UHFFFAOYSA-N	247.373	4.536	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1C[C@H]2CCCC[C@@]2(C)C1	1948564795	VWGLRGLNGXZTFS-OAGGEKHMSA-N	231.383	4.636	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CCCCCC1CC1	1949079703	VHIQRXYMJJCYPQ-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H](O)CC2CCCC2)C1	1949871243	RUWGDVOCNQOMTD-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC1(CC[C@H](N)CC2CCCCC2)CCCC1	1949915074	HFYFDFQSRVIPQY-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCCC)[C@@H]1C[C@H]1C	1950750260	FMABYILNUVOYGH-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](O)[C@@H]1CCCC(C)(C)CC1	1950914863	UJSZMFQPGZVXLU-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@H]1CCCC(C)(C)CC1	1950917592	GJLJJZVRLWJLIA-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCC1(CC)CC(Nc2cc(F)ccc2C)C1	1968313118	XBBISEJSSWCEMU-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCc1ccccc1NC[C@H]1CCCC2(CC2)C1	1968360136	MELUZEBIBIPGAF-AWEZNQCLSA-N	243.394	4.631	0	10	BJAE	
CCCC1(CN[C@H]2CCCCC23CCC3)CCC1	1971567026	MATFDODFTGSJGH-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@@H]1CCCCC12CCC2	1972829087	HPMKVHNJMFAZQO-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
C[C@H](NCCC12CCC(CC1)C2)C1CCCCC1	1973945232	GEHUITGFEXRHNK-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1c(C)sc(C)c1C	1985603957	GGWALGOKGRZNCJ-ZDUSSCGKSA-N	240.412	4.533	0	10	BJAE	
CCCCC[C@](N)(CC)CC1(C)CCCC1	1990090151	XJPMYILYCLFXNF-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CC(C)=CCCN(CCC(C)C)CCC(C)C	1995750992	DMZXVGUOQQBSDZ-UHFFFAOYSA-N	239.447	4.737	0	10	BJAE	
CCC[C@@H](C)N[C@H](CC)C1CCC(C)(C)CC1	1996594191	KDLUTUGLZMKROH-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](C)[C@H](NC)[C@H]1CCC[C@H](CC)CC1	1997117573	RXRJOAPSZWSQJH-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@H]1CC[C@H](C)CC1)C(C)(C)CC	2003067375	RKAGLQXMECTKMK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H](N[C@H](C)CC1CCCCC1)C1(C)CCC1	2004840013	MBHGFGGHOOOZNT-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)[C@@H]1CCCCC12CCC2	2005591701	JDSVTQALZCAPCL-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC(=O)C[C@@H](C[C@H]2CCC=CCCC2)C1	2006668693	GFZKTKAXKPIBPW-SOUVJXGZSA-N	234.383	4.518	0	10	BJAE	
CC1=C(C)[C@H](N)[C@H](C[C@@H](C)CC(C)(C)C)CC1	2006907360	KOBHBQJXHASWTB-UGFHNGPFSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)[C@H](C=C1CCCC1)NCC	2007937852	RMXDQBXYVBQNQX-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H]1NCC[C@@H]1C1CCCCCCC1	2009772451	OTEHMDGFADHJIA-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C1=CC[C@@H](CC)CC1	2010715448	BVVBOYNFOJGHCX-YCPHGPKFSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1C[C@@H]1CCCOc1cccc2sccc12	2011568934	ZOFXSQWMSIJONU-RYUDHWBXSA-N	246.375	4.716	0	10	BJAE	
C[C@@H](CC(=O)C12CCCC1CCC2)C(C)(C)C	2012137418	UFHBKVXCLBXBIV-FUJMWEONSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)NCC12CCCC1CCC2	2012151230	DRWBNAKTMOTDLX-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)NCCC1CCCCC1	2013262474	BPEYPBBRVCPOMJ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(O)[C@H]1CCC1(C)C	2014895518	GKUQHEACLWWGIE-DVOMOZLQSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C[C@H]1C(=O)C[C@@H](C)C[C@H]1C)C(C)C	2015387467	JFGBRKXJXHQQJZ-GZBFAFLISA-N	238.415	4.556	0	10	BJAE	
CCCCC1CCC(N)(C[C@H](C)C(C)C)CC1	2015397218	HNPXHDWOVKWLQN-FHERZECASA-N	239.447	4.747	0	10	BJAE	
CCCC1(CC(=O)C2(CCC)CCC2)CCC1	2015592481	LECFPVPNESTLJF-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC1(CN(C)C[C@H](C)C(C)(C)C)CCC1	2015635642	YDPOXNUFNKGRKB-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCCCCC[C@H](CC1(CCC)CCC1)NC	2015641413	DUXAGVVKZJACPJ-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
Cc1cc(C)c(C(=O)C2(CC3CCC3)CC2)s1	2015814211	GTXCONZXWWUPKK-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCC1CCC(C[C@H](O)C[C@@H](C)CC)CC1	2017651537	VMMQJEPONPAZMC-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(CC[C@H](N)C(C)(C)C)CC1	2017730073	CQHWTGCHBRARJD-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(CC(=O)C[C@@H]2C[C@@H]2CC)CC1	2017768339	CDRAMZKHFLNRHC-WUCCLRPBSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(CC(=O)C[C@@H](C)CC)CC1	2017774506	PKDNZWXMFQTMMT-NFOMZHRRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCNC2(CCCCC2)C1	2018645116	IMEBQYFJBYIMSK-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@@H](CC)C(C)C	2018989841	INYYKURLPCDFEC-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCN(C1CCCC1)[C@@H]1CCC[C@H](C)C1	2020540285	WSFDATPITDRNNK-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccccc1C1CCC1	2021027056	NUBWKKZZUPEPAF-CHWSQXEVSA-N	231.383	4.801	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)C[C@@H]1CCCC(C)(C)C1	2024123847	NDWSFIFLONZWHG-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@@H]1CC1(C)C)NC	2026168523	AORGVDDQYKAXDI-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)Cc1csc(C23CCC(CC2)C3)n1	2026529227	NKBOMHNZBLWGFK-XIKARTHZSA-N	249.423	4.563	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)C1(C2CC2)CC1	2028104520	DMQFLVQLMANNHO-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](NC)c1cc(C)cc(C)c1	2028251015	CDLCBCLYZUFDBY-IRXDYDNUSA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1ccc(C2CC2)cc1	2029071786	UXFDFQYSLYZIBW-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@]12CCCC[C@H]1CCC2	2031759710	OPLNAGQDHBVJMG-YESZJQIVSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@]23CCCC[C@H]2CCC3)C1	2031797237	BZLDTFBXUJEKQG-LTIDMASMSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)c1ccccc1C(C)C	2035501225	WERVNKHHHWEXMJ-WMLDXEAASA-N	246.394	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CNC(C)(C)C)C[C@@H]1C=CCC1	2035588291	NRRJSNYDWOTKPW-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c([C@H](N)CCCC2CCC2)cc1C	2037140499	WBIHJDJUHBSGLD-QGZVFWFLSA-N	245.410	4.582	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1CC1(C)CCCC1	2037225634	WNDRRHQYJCJFIC-UKRRQHHQSA-N	243.394	4.802	0	10	BJAE	
CCN[C@H](CCCCC1CCC1)c1ccccc1	2038129387	WBDJZTWMAMLYQG-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CC[C@H]1C[C@@H]1CC1(N)CC2(CCC(C)(C)CC2)C1	2038895112	LUISRTAYMGWBAJ-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H]2CC23CCCCC3)C1	2039013088	UYPDSSAZZLSZOR-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCC(=C[C@@H]1CC12CCCCC2)CNC(C)(C)C	2039079806	VDKUYSLFPKMQLY-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)[C@@H]1CCC[C@H](C)CC1	2039371317	VTZNKGPDDNVKOO-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1ccccc1C1(C)CC1	2040719640	QFCWSWZOTNDEIW-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1ccc(C2CCC2)cc1	2040724589	XDGBLGTVVIXHCX-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
C[C@H](NC[C@H]1CCC[C@@H](C)CC1)c1ccccc1	2041383594	OXPZQWWODBBQRD-PMPSAXMXSA-N	245.410	4.554	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@H]1C(C)=CCC[C@H]1C	2046913279	LKWDSUYASYIHLR-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2CC23CCCC3)CCCCCC1	2047016850	RKGBEPWOUYIATB-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCCC1(C(=O)C[C@H]2CC23CCCCC3)CCC1	2047034962	ZULHNWUUKXZJQJ-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CCCCC2)C1(C)CC1	2047595866	MJAGWFRFWPTEBO-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC2[C@@H]3CCCCC[C@@H]23)C1	2048468437	GEHAXBNMDMNMDN-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H]1CCCC(C)(C)C1	2049492475	JGCRHPKLQMKFAZ-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H](O)c2cccc(C)c2)C1	2050426055	MIZGQTSICYLVAB-VYDXJSESSA-N	246.394	4.635	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@H](O)c1cccc(C)c1	2050426645	PTONWYSBCYITBM-INMHGKMJSA-N	246.394	4.635	0	10	BJAE	
CC1(CC[C@@H](N)c2cccc(F)c2)CCCCC1	2050493289	WOEWWYRWZDOSPV-OAHLLOKOSA-N	249.373	4.576	0	10	BJAE	
CCC1(CC)CCC(NC[C@]2(C)C=CCC2)CC1	2051592794	CGBDBSBQVQOGKM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
O=C(CCCCCC1CC1)[C@H]1CCCCC12CC2	2053354818	HGPQZQWCUVUPCN-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC1CCC(C(=O)[C@H]2CCCCC23CCC3)CC1	2053362791	ZEIOYBKEZPEBGQ-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC1CCC([C@@]2(CN)CCCCC23CCC3)CC1	2053420365	JVHWNDGDRZOUCA-DQPZFDDXSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H]1N1CCCC[C@H]1C1CCCCC1	2055271136	REMKTUYEDMQUQI-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CC1=C(C)[C@H](NC2CCC(C(C)C)CC2)CCC1	2055550392	BOAGPMICTJYJSI-OFLPRAFFSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2C[C@@H](C)CC(C)(C)C2)CCC1	2055551766	IVQXGKMTSFMRDJ-UHOFOFEASA-N	249.442	4.680	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H]1CCCC12CCCCC2	2055671176	FLYNHZSPHDNOMM-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@H](N)C1=CCCCCCC1	2056451761	PKIMMUIAHRXSIE-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
CC1CCC(C)([C@H](N)CC2CCC=CCC2)CC1	2056552156	JWSTVEVCEUYGRC-ARWYELJZSA-N	249.442	4.667	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)CC1CC(C2CCC2)C1	2056667449	GMIWPFSVDYAFIG-PESDSKBTSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCCCCC1)CC1CC(C2CC2)C1	2056667582	ICQCVZLJDHLUIQ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@@H]1CCCCC12CCC2	2056776854	OBHYRBWONBXQIU-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C=C1CCCC1)CCC1CCCCC1	2056878641	MLFMGXNLEAKICW-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C1=CC[C@@H](C(C)C)CC1	2061140337	MOJAYTSBBXFULC-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCCC1CCC1)C[C@@]12CCC[C@@H]1C2	2061614305	VATUIPWSNYSFON-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C[C@H](N)C[C@]23CCC[C@H]2C3)CC1	2061620691	ABLFNCPHPVHOCT-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CNCCC23CCC(CC2)CC3)CC1	2065257569	DXMUPQYEHIYTHK-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC12CCC(CC1)CC2	2065278926	DGMNTJJASOKXEN-ISXOHVOVSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1C1(N)CCC2(CCCCCC2)CC1	2065892174	ITPCXUYSHMYCTA-FICVDOATSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@@H]1CCC[C@@H](C(C)C)N1	2066378150	MYDFTPSLTOVZNX-IRXDYDNUSA-N	245.410	4.649	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@H]1CC[C@@H]1C1CCC1	2071788571	HPQDQQVATABWPP-SJORKVTESA-N	241.378	4.555	0	10	BJAE	
CC[C@H](C)Oc1cccc(NCC(C)=C(C)C)c1	2072365584	GJXQTOCSGFOMQE-AWEZNQCLSA-N	247.382	4.632	0	10	BJAE	
CCCCC1CC(N(C)[C@H]2C=CCCCCC2)C1	2074799813	PAYKEEGXVKMAID-CGZBRXJRSA-N	249.442	4.776	0	10	BJAE	
Cc1ccc(CN(C)CCCCCC(C)C)cc1	2075145952	NLLGVHHUPLWNCT-UHFFFAOYSA-N	247.426	4.643	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CCC1)[C@H]1CC1(C)C	2077263643	AIJATHUPWMQJQD-IUODEOHRSA-N	243.394	4.801	0	10	BJAE	
CCCCc1ccc([C@@](O)(CC)C(C)(C)C)cc1	2077922068	DDVWTJRYDSLYPY-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCCCN(C[C@@H]1C[C@@H]1CCC)c1ccccc1	2079892176	YIYBNVKAQAXZKG-HOTGVXAUSA-N	245.410	4.729	0	10	BJAE	
CCC1(CC)C(=O)[C@H]2CCCC3(CCCCC3)[C@H]21	2083253053	NYVPXIVXRGXHKA-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cccc(C(C)(C)C)c1	2083550021	KIPRRVYWTMVNIP-CZUORRHYSA-N	247.426	4.810	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H]1CCCNC12CCCC2	2083818175	SINYNANAWDXUJJ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@@H](C[C@H](C)C(C)C)C(C)(C)C	2217138807	NDGSOOOXCSZOJD-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
N[C@H](CCC1CCCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218351719	QUVMKCZFWQLXLT-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CCC/C=C/c1ccccc1)NCC	2219095953	QNFJOPDCWFMOGJ-RKCSUWQLSA-N	245.410	4.648	0	10	BJAE	
CC[C@@H]1CCC[C@@H](n2ccc3cccc(F)c32)C1	2220310261	DLDPHTKNURNUSW-TZMCWYRMSA-N	245.341	4.922	0	10	BJAE	
CC1(C)CCC[C@@H](NCC2(C)CC3(CCC3)C2)C1	2220935557	KOQSVNOZCPJGMB-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)C[C@H]2CC[C@H](C)CC2)CC2(CCC2)C1	2221006579	MHPOLWTWUAGMEA-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C1CC(C)(C)C1)[C@]1(C)CC=C(C)CC1	2221627344	AZDJPZJRNXABNK-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC=C[C@]1(N)CCCCCCCC1CC1	2223125080	PTCASFVWFIUDHS-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H](C)CC1(CNC2CCC2)CCC=CCC1	2223544373	CEXBGHVWNGZHRB-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCC1(C[C@@H](O)c2ccc(C3CCC3)cc2)CC1	2223681434	PGCCAQOFTCIEQE-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CC[C@H](C)CC(=O)CC[C@H]1CCC[C@@H](C)C1	2242770533	PZXLDIZNYGIKJC-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@H](C)CC(=O)C[C@@H]1CCCCC12CC2	2246612566	ZIKMSAVBOUUFHE-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC1([C@H](N)CC[C@@H]2CCC[C@H](C)C2)CCC1	2246660176	NXUBABCGSUUBMC-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1CC[C@H]1CCC[C@@H](C)C1	2246661955	COFIYTLVEJNBJN-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC(C)CNCCCCC[C@@H]1CCC[C@H](C)C1	2246727506	NNJRMALYSUBGMG-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CCC[C@](O)(CCCC[C@H]1C[C@@H]1C)C(C)(C)C	2247126916	FLCUIKFYLMWOID-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCC1(C(=O)CCCC[C@@H]2C[C@@H]2C)CCCC1	2247174971	HQXLIWGSBXABKS-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CCCC[C@@H]1C[C@@H]1C	2247176076	NAAVAIJXVZURIZ-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CCC[C@](N)(C[C@@H]1CCC12CCC2)C(C)(C)C	2247398936	OCKHMLHNGJTKPD-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@H]1CCC12CCC2	2247443695	VZQDNZIIFQUHPO-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
C[C@@]1(CN)CCC[C@@H]1CCCCCCC1CC1	2249928206	VUXDYKARRCFTKT-HOTGVXAUSA-N	237.431	4.502	0	10	BJAE	
CC[C@H](Nc1cc(C2CC2)ccc1F)C(C)C	2250120328	BAESSGIMMULQBF-AWEZNQCLSA-N	235.346	4.550	0	10	BJAE	
CCC[C@@H](CC)CNC1(C2CC2)CCCCC1	2250389812	MLTYUPMKHSFNGS-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@@H]1C=CCCC1	2250494323	AROHEXMHTPEKIK-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)[C@@](C)(O)CC1CC(CC(C)(C)C)C1	2251583504	WTHCXKZSMKYXLO-WOICTCIZSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H]1[C@@H](CCC(C)(C)CC)CCC1(C)C	2251722334	SVBFJXMDPORFGN-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
O[C@@H](c1ccc2ccsc2c1)C1CCCCC1	2253060705	LPHUZHWBDRXJOQ-OAHLLOKOSA-N	246.375	4.515	0	10	BJAE	
CC(C)[C@](N)(CC[C@@H]1CCCCC12CC2)C1CC1	2253843191	HTUKTNQEOXEHEL-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](O)(C[C@H]1CCC1(C)C)c1ccccc1	2254823698	ASEDIJRXJKZZCM-NVXWUHKLSA-N	246.394	4.501	0	10	BJAE	
CC1(C)CC[C@H]1CC(=O)C1CC2(CCCCC2)C1	2254914609	KBZRBKDXXLCYNC-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1(N)CC(CC2CC2)C1	2257313106	CFPAPKXSJQXSPJ-CRYBEJKASA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCNc1cc(C2CC2)ccc1F	2259116185	NNLBKNKIXHSYFR-ZDUSSCGKSA-N	247.357	4.551	0	10	BJAE	
Cc1c(F)cccc1NC[C@@]12CCCC[C@@H]1CC2	2260582085	HRZDTILRVWWYFN-CJNGLKHVSA-N	247.357	4.516	0	10	BJAE	
CC1CC(CC[C@H](O)c2ccccc2C(C)C)C1	2261504978	CHGFSZOPXCYBTE-KVULBXGLSA-N	246.394	4.670	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1C[C@@H]2CC[C@H]1C2	2298386459	RMGYFXGNOHLNNM-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301059094	ZRPXMPPTBMJKPY-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)CC1CCCCCC1	2301131492	MORBEFWMGJPBBQ-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc2ccn([C@@H](C)[C@H](C)C(C)C)c2c1	2301833333	QOLHMJLFTUVLDF-KGLIPLIRSA-N	229.367	4.803	0	10	BJAE	
CC(C)CCCCc1cc2ccccc2cn1	2302225625	XVYZIBSUHFJCLB-UHFFFAOYSA-N	227.351	4.604	0	10	BJAE	
CCC1(C[C@H](CCCCC2CC2)NC)CCC1	2302578114	WIAPJUPCWJVJRT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CC(C)(C)CCC2=O)C1	2302878903	UVUYRLXHLNURHQ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@@H]1CCC(C)(C)C1)c1cccc(N)c1	2302900786	VUYNAUFDSBMCOZ-OLZOCXBDSA-N	231.383	4.589	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303455665	XXYODBYRUDGVCC-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@](C)(N)CCC(C)C)CC1	2303525872	WPRWPWQUIZWYMO-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@](C)(O)C2CCCC2)C1	2304352373	QZZIOFIQMRYFEH-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
C1CCCCC(N[C@H]2C[C@H]3CC[C@@H]2C3)CCCC1	2308572351	RJGAHIBZKJBVJL-UXLLHSPISA-N	249.442	4.658	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C1CCCC1	2309185139	RMSREHKIWDCUTR-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](NCC[C@@]23CCC[C@@H]2C3)CC1	2310375132	PSCFFPMISYWRJY-VVLHAWIVSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)[C@@H]1C[C@H]1C1CCCCCC1	2311526033	PJGYYHVKEKRDOU-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312908227	WAMHSZDAILXUFM-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@@]12CCCC[C@@H]1CC2)C1(C)CCC1	2313323340	ZSUNJOBUFGZAHS-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN[C@@]12CCCC[C@@H]1CC2	2313338112	DHKUDNXBIVMZGW-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCCN1[C@H]1CCC12CCCCC2	2313618936	VHGPFZKEAHPCQX-HNNXBMFYSA-N	249.442	4.754	0	10	BJAE	
COc1ccc2c(C3CCCCC3)coc2c1C	2313712146	UWEKHWBHBHBHLZ-UHFFFAOYSA-N	244.334	4.798	0	10	BJAE	
CC(=CCN[C@H]1CC[C@@H]2C[C@@H]2C1)CCCC(C)C	2316491380	RAAMOOLEFOJSRY-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](O)CCC(C)(C)Cc1ccccc1	2317286153	XFWDQKWVKKKBRG-MRXNPFEDSA-N	248.410	4.587	0	10	BJAE	
CCC[C@@H]1C[C@H]1Cn1c(C)cc2cc(F)ccc21	2317530721	WHEFVXADDMTWFT-OCCSQVGLSA-N	245.341	4.525	0	10	BJAE	
C1=C(CCCN2CC[C@H]2CC2CCC2)CCCC1	2318597616	MUMDTUJRRXFWEI-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
C1=C[C@@H](NCCCC2=CCCCC2)CCCCC1	2318598615	SCIHNCBGSRQZOZ-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2CC[C@@H]2C2CC2)C1	2319495700	BBMURSWZPDGHLG-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC[C@H](O)c1ccccc1	2320244768	VBFMPXBKRXVBNZ-IMJJTQAJSA-N	246.394	4.573	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2CCC(C)=C(C)C2)CCCC1	2320416374	JTFFTHJZCUWLSU-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C2CC(=C3CC3)C2)C1	2321625420	BJODVGDHEHYHPT-LBPRGKRZSA-N	246.394	4.662	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@H]3CCC[C@@H](C)C3)(C1)C2	2321639952	QCWLEMUDBKZYBK-VBJONLRCSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](Nc1cc(F)ccc1C)c1ccccc1	19996528	QLVHOPQETKXMPZ-OAHLLOKOSA-N	243.325	4.697	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1F)c1ccccc1	20372068	MGDJXNUEZRLKMD-OAHLLOKOSA-N	243.325	4.697	0	10	BJAE	
CCCCC[C@@H](C)Nc1cc(C)ccc1F	20471539	NOJHJESSNZJELF-GFCCVEGCSA-N	223.335	4.515	0	10	BJAE	
CCc1cccc(N[C@H](CC)C[C@@H](C)CC)c1	21023320	AGZSBZXTWPFYBB-DZGCQCFKSA-N	233.399	4.876	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@H]1Nc1cccc(F)c1	22154340	PKJVWXVSUPYTSU-LSDHHAIUSA-N	249.373	4.843	0	10	BJAE	
C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)C1(C)CC1	36994650	XPEHWAKAQLBKDT-HIFRSBDPSA-N	245.410	4.552	0	10	BJAE	
c1ccc2c(NCCC3CCCC3)cccc2c1	78526174	CMCISDZNXDZWNA-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1sccc1C	82676520	XJAKSAONXXKZSQ-OLZOCXBDSA-N	240.412	4.696	0	10	BJAE	
Cc1ccc(C)c([C@H](C)Nc2ccsc2)c1	85528943	QAOCHLPCZMMRHH-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
CCCC[C@H](C)n1c(C(C)(C)C)c[nH]c1=S	88146593	XEPROBPYBHAPQL-JTQLQIEISA-N	240.416	4.594	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2cc(C)cc(F)c2)C1	93979105	KUKYMUNTHDKRNG-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)c1ccc(C(C)C)cc1	109718141	NFFLYNYGOHLZOB-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCCC[C@@H]1C(C)(C)C	109944964	DNQWJPGYXQLPQA-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C1=CCCCC1	110229260	LINYQMJCPNVWFM-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC(C)c1ccccc1Nc1cccc(Cl)n1	110547028	YWZHCYBTPCUJFD-UHFFFAOYSA-N	246.741	4.602	0	10	BJAE	
Cc1ccc(C)c([C@H](C)NCC2(C)CCCC2)c1	111620257	RSVIIUIUHSTMQS-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@H](c1occc1C)C1CCCCCC1	133363392	XGQYMGXWQLWIDF-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@@H](C)CCC	133443370	VBKAJKUDVNTFLY-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCCC(C)C)NC	133485640	BOJNLKCZLFZVGH-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
[C-]#[N+]c1c(Cl)cc(Cl)c(Cl)c1Cl	141511899	WPTAQTJDSZTYAK-UHFFFAOYSA-N	240.904	4.851	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccccc1C	148411265	LULNWQGFXXUKLY-BFYDXBDKSA-N	245.410	4.614	0	10	BJAE	
CCC[C@@H](OCC)c1nc([C@@H](C)CC)cs1	157543907	VWXWNIZXWMWPKR-CMPLNLGQSA-N	241.400	4.534	0	10	BJAE	
CCC1CCC(C(=O)c2c(C)oc(C)c2C)CC1	166196329	LYXJTTMFZSZCBI-UHFFFAOYSA-N	248.366	4.604	0	10	BJAE	
CC[C@H](C)C[C@H](O)c1ccc(C(C)(C)C)s1	166226376	GDFOTQQAWFCKAN-QWRGUYRKSA-N	240.412	4.515	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H](C)c1ccc(C)cc1C	212639101	IVIUFAQUVVEGKB-RDJZCZTQSA-N	247.426	4.575	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)[C@H]1CCCC[C@@H]1CN2	214648773	DTEWJMLQJOZIKR-OCCSQVGLSA-N	243.394	4.683	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2c(C)cccc2F)CC1	224960884	MVKSDUZLGAZLFF-ZIAGYGMSSA-N	249.373	4.905	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)C1CCCCCC1	229147201	VLUSRJXCVAYGJB-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](N[C@H](C)CC1CCC1)c1ccc(C)cc1	229681501	QDDNMDSSBSLGFZ-PBHICJAKSA-N	245.410	4.614	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)c1coc2ccccc12	233290324	SJHXKBFHECQQJM-MLGOLLRUSA-N	245.366	4.520	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC(C)(C)CC)CC1	233300324	CDSJBYQZAWHOCN-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@H](O)C1CCC(C(C)(C)C)CC1	233352173	KPJHQUKMZVYEKN-PPWQZUPISA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1(C)CCCCC1	234068612	ISIRIVRPUMQMKX-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
Cc1oc(C)c([C@H](O)C2=CCCCCCC2)c1C	235968276	FFUMFJNZCZXEOM-MRXNPFEDSA-N	248.366	4.519	0	10	BJAE	
CCCC[C@@H]1C[C@@H](CC)CC[C@H]1CNC(C)C	251391691	UFOSPVSBJPAEOE-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](/C=C\CCNC(C)(C)C)C1	252658108	UJJCEVWXKVSYRE-AJNJCKRNSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccc(C(C)C)cc1	302273339	ARVDZNWMHVJBSG-XJKSGUPXSA-N	234.383	4.670	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1C[C@H](C(C)C)CCC1=O	304178046	OHZWRZTXWPTJJT-ZNMIVQPWSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H](C)CC(C)C)C1	304187140	SIGMPFRJLJCXPT-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCc1c(Cl)ccc2sc(SC)cc12	307581033	ZWRFTHPAYHGMIC-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CC1CCC(C)CC1	308108049	XATLLRKHMGRDJH-FJBKBRRZSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1(CCC)CC1	309398120	GSYFEXLXZLIQHQ-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC(C)C)C1(CCC)CC1	310153693	GLTBVBRECZGELO-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H]1Nc1ccccc1-c1cccs1	310385266	QIXCSDKCQRLPJW-AAEUAGOBSA-N	243.375	4.626	0	10	BJAE	
C[C@@H]1CC[C@@](CNC2CC2)(CC2(C)CCCC2)C1	319086192	SFXKIPBBACSUKF-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](N[C@@H](C)c1ccc(C)cc1)C1CCC1	322398753	RCIMVFMDLBZPQJ-WMLDXEAASA-N	245.410	4.614	0	10	BJAE	
CC[C@H]1CCC[C@]1(O)CC1CCC(C)(C)CC1	380038104	IJDNLBUMPPDLLU-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCc1ccccc1N[C@@H](CCC(C)C)C1CC1	381070071	BMZKGRNVXMLOHE-KRWDZBQOSA-N	245.410	4.876	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)c1ccc2ccccc2c1	381074557	FCVYMACPBWSINM-GUYCJALGSA-N	241.378	4.522	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CCCC1(F)F	381482546	FRMYEEARNCUCHD-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
C[C@H](NCCC1(C)CCCC1)C1CCCCC1	383837625	YUZJZKKLMUEITO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCc1ccccc1[C@@H](O)C(C)(C)C(C)(C)C	384494064	MUEYKZRENSZOKS-OAHLLOKOSA-N	248.410	4.745	0	10	BJAE	
Cc1ccc(F)c(C(=O)C[C@@H]2CCC[C@@H](C)C2)c1	394148002	FOVHDAJNMADYBN-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
C1CCCC(C[C@H]2NC[C@@H]2C2CCCCC2)CC1	394567631	JTCNBFDGSLFGNV-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CSc1csc2c(C)c(C(F)F)ccc12	396413373	XSIXQNZYMCBHOG-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@H](N[C@H](C)C[C@H](C)CC)[C@H]1CC1(C)C	397643680	ZBEHOBMYJRBSNE-TUVASFSCSA-N	239.447	4.616	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CCCC2)[C@H]1CC1(C)C	397666927	PGBGCCANTGMCLP-ZNMIVQPWSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1ccc(F)cc1C	401837907	OPCZIMOTNVROEW-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)c1ccc(C)cc1	405837520	HPUQRZNAIDVEJE-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCCCNc1cc(Cl)c(C)c(Cl)c1	690296685	VYQSVMUGOMMFTH-UHFFFAOYSA-N	246.181	4.904	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](C(=O)CC(C)C)CC1	695054856	JJVPNUBGGIOKNG-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CCC[C@H](C(C)C)C1	695102199	YYDMKXFNKVKWGU-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCCC1(O)CCC(C2CCC2)CC1	696067316	DBQZUHURGXFECI-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCc1ccc(NCCC(C)(C)CC)cc1C	696783955	URQRPWSABICVCU-UHFFFAOYSA-N	233.399	4.796	0	10	BJAE	
CCC(C)(CC)[C@H](N)c1ccc(C(C)C)cc1	701154273	NDRUNZKAQGBKEX-OAHLLOKOSA-N	233.399	4.636	0	10	BJAE	
CC(C)(C)CCC(=O)CC1(c2ccccc2)CC1	703798687	GMLQQHZPELLYFM-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC(C)CCCCNc1ccc(C2CC2)cc1	703993149	AEWAHEYVANJPHD-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)[C@H]1CCCC12CC2	706219210	YDXWIXQBHTYPHN-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@H]1CCCC12CC2	706237716	UZGHLIOLASTXPF-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1CCCC12CC2	706293749	ILNCIQHVLVYYEW-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@](C)(N)CC2CCCC2)C1	707685083	VCSNPCDBTHYFCR-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C[C@@H](C)CC(C)(C)C	709070206	BKWSNCFIWHVPPC-IUODEOHRSA-N	248.410	4.799	0	10	BJAE	
Cc1cc(C)cc([C@](C)(O)C[C@H](C)C(C)(C)C)c1	710800231	OYNXTTIJTCIXCK-WMLDXEAASA-N	248.410	4.583	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)c1ccc(C)o1	711196897	SCCJAZCCMUDKSK-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H](C[C@@H](N)CCCC1CCC1)C(C)(C)C	711212093	GUBYGCZWOSPHQX-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
C[C@H](CC1(CN)CCC(C)(C)CC1)C(C)(C)C	711221929	AXYJRFNRPWVNJR-CYBMUJFWSA-N	239.447	4.604	0	10	BJAE	
CC[C@@H](C)C[C@H](CNC(C)C)C1CCCCC1	711317637	CJXVWVXBKVMXPO-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(N)CCCC(C)(C)CC1	713153730	ZOYMRZWWGFBZMU-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
C=C/C=C/CCNc1cccc(-c2ccccc2)c1	713716510	CMTVIZCRWKNCFV-ONEGZZNKSA-N	249.357	4.898	0	10	BJAE	
CCCN[C@H](CCCC(F)F)C(C)(CC)CC	721650942	OIBNFUIAHVBILZ-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)C(C)(CC)CC	721748536	LYYWWGBIOJHFJP-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)C(C)(CC)CC	721748672	LYYWWGBIOJHFJP-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(NCc2ccc(Cl)c(C)c2)cc1	1177366624	PVIUYOHRLROQJB-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
C/C(=C\Cl)CSCC1CCC2(CC1)CC2	1307334329	PIVGKANGINLJLU-DHZHZOJOSA-N	244.831	4.833	0	10	BJAE	
Clc1cccc(SC2CCCCC2)c1	1458930616	CNXBXXSQJRPZJT-UHFFFAOYSA-N	226.772	4.765	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNCC2CCC=CCC2)C1	1658045925	ZDHJYEZQFPDSEC-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCCCC[C@H]1O	1900700711	JNZWHRPRCSAEDY-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(-c2nc([C@H]3CC3(C)C)cs2)s1	1901911772	JDVSGEMIOMJJNB-SECBINFHSA-N	249.404	4.694	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H]3CC[C@@H]32)cc1Cl	1907049515	JHHFSUVHKSXEMP-OSAQELSMSA-N	249.785	4.639	0	10	BJAE	
CCNCC(=CC1(C)CCCCCC1)C(C)C	1912036275	ZYQNSOGLLWWTFA-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCNCC(=C[C@@H]1CC1(C)C)C1CCCCC1	1912080803	QCPVNPBMOUPEAR-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCC2(CCCC2)C1)C(C)(C)C	1916428418	VLRDNBAAFVTJFC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(CN[C@@H]2CCC3(CCCC3)C2)CC1	1916443303	WEEPFYFCFCRJDJ-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@H]1CCCC12CCC2	1921613793	QQRHDIOCSVCERO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@@H](C)[C@@H](C)CC	1926151091	AOHNJTAJTAMFMT-OFQRWUPVSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H](CC)C(C)C	1936645586	OJFRDIGOUCOPTP-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)NCCC1(C)CCCCC1	1937891471	FRAVXGZXCCVBCE-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CCC1CCCCC1	1941252784	RHQKCTQXHWXAIM-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@H](N)CCCC(C)(C)C)C1	1943048583	AAFBDMMEXRZMBD-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
CCCC(CCC)C(=O)CC1[C@H]2CCCC[C@H]12	1945052543	HXIXHCPTKIDWGD-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](C)NCCC1(C)CCCCC1	1945432747	RWYOIKWPJDAHHI-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](CC)CNC[C@H]1CCC(C)(C)C1	1945590921	HXOGSVMMQQVTHO-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC[C@@H]1CCC(C)(C)C1	1945594213	SWLSLYCJINUXFY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cccc2sccc12	1945960082	NOBFOZAMRXUFPA-CQSZACIVSA-N	248.391	4.761	0	10	BJAE	
CCC[C@@H](CC)N[C@H]1CCCC2(CCCC2)C1	1946455163	LVYODVVQDQEWEG-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC1(C)CCCCC1	1947466833	ZWUBKFBSIMWGDJ-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCC1(CN[C@H](C)[C@@H](C)CC(C)C)CCCC1	1948326958	NNXZCARRLTVARM-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(C[C@@H]2C[C@H]2CC)CC1	1949026545	LCEBIDHTWFGKPM-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H]([C@@H]2CCC(C)(C)C2)C1	1949498870	YFLRHVBROJOXPC-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)CC1(N)CC2(CCC(C)(C)CC2)C1	1950559796	LCSNKYGHHHNVFW-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](O)CCCC2CC2)CC1	1950914370	PETJXYUCACHUGZ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@H](C)CC1)C(C)(C)C	1950929038	DCOISQVXXHFAMW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@@H]1CCCCC12CCC2	1967797819	PKSMQLYRTKPEHT-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](Nc1ccc(C2(C)CC2)cc1)C1CCC1	1967839886	BJIBLXHOXQQNFO-MRXNPFEDSA-N	243.394	4.729	0	10	BJAE	
CCc1cc(N[C@@H]2CCC3(CCC3)C2)ccc1C	1969681287	USKOMARGIJYZKH-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
C[C@@H](CN1CCCCCCCCC1)C(C)(C)C	1970124754	DLAODJZRKMWPRA-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CC(C)(CN[C@H]1CCC12CCCC2)C1CCCC1	1971682032	VPSOGTVZWIJVEP-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@H](C)CC	1978638795	NIVLCHULEYDQOJ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC1(C)CCC(Nc2csc(C)c2)CC1	1981062056	BZEFRDXSLDIVCI-UHFFFAOYSA-N	237.412	4.827	0	10	BJAE	
CC(C)CCC(=O)C1(C)CCCCCCC1	1981426114	BSAOERWEUSEJJU-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
FC1(F)CCC[C@H]1CCC1CC(=C2CC2)C1	1985530067	BULQNTWKKYSEPF-ZDUSSCGKSA-N	226.310	4.702	0	10	BJAE	
CC[C@@H](CNc1cc(Cl)ccc1F)C(C)C	1988766166	ZTBGIYHNINHLGJ-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)C2CCC(C)(C)CC2)C1	1996231782	MILOATGCZUFCKU-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](NCC)[C@H](C)C1CCC(C)(C)CC1	1996594517	NFIMTUFBLOTTKV-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(O)CCCC2(CCC2)C1	1997043879	UYTVMEGVWNUKIT-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(N)C[C@@H]1CCC=CCCC1	1999985746	MJJUUISHMHGJMV-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CC1CCCCC1	2000294332	RLELCBGFBYSTOP-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@](C)(CNCCC)CC1(C)CCC1	2000521274	SUOFYJPIYGFCPW-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCOC(=O)C(CC)(CC)CCCC(C)(C)C	2000705383	KAVULCWLUCIPRV-UHFFFAOYSA-N	242.403	4.572	0	10	BJAE	
CCCC1CCC([C@@](C)(N)CCC(C)C)CC1	2002923899	CXWHDPQPVZEZLY-GPANFISMSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)C2CCCCCCC2)C1	2003167855	POMMRFJRWYMKQG-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCCC(F)(F)C1	2003199026	GWLMKQIAYQSYSA-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCCN[C@H]1CCCCCC[C@H]1CC=C(C)C	2004226455	HTLCJYAXBHTBAH-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](CC=C(C)C)NC)CC1	2004227359	RWXSQEBBIFQYGS-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC[C@H]2CC[C@H]21	2004802101	MYZRFEYLQWEHIS-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@H](N)C1(C)CCCCCCC1	2004919655	BQKMYHWVOFYPTK-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1(C)CCC(C)CC1	2007683435	OZRSLKHJTDGDMR-BBBYJDLNSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)c1ccc(C)s1	2007944808	HZELFNCKZGPPMI-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CC[C@@H](C)CC[C@@H]1NCC	2009407465	NIPSUKWDCYPOAS-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](CC)CC[C@H]1NCC	2009628626	NYOOLCHGGNVIOB-LXTZQOSWSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H]1NCC[C@@]12CCCC(C)(C)CC2	2009772098	NZVNDZFOYAULLW-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)C1=CCC(C)(C)CC1	2010735205	BPQYQWVIEXOSQA-CZUORRHYSA-N	237.431	4.523	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC[C@@]12CCC[C@H]1C2	2011011599	PMZAFLYMJFMCPF-DVOMOZLQSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC[C@]12CCC[C@@H]1C2	2011011600	PMZAFLYMJFMCPF-IOASZLSFSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(F)ccc1CC1CC(=C2CCC2)C1	2011086903	IJHXDENAGUMRFC-UHFFFAOYSA-N	230.326	4.567	0	10	BJAE	
CCC(CC)(CC)CN(C)CC1(C)CCCC1	2011183904	OIAFMZYHXNRKBY-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCC=C(C)C)CC(C)(C)C1	2012066543	YRTOQMVGXXRMKE-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H]2CC(=O)CC(C)(C)C2)C1	2012084428	OFQPRYZEZQVFGQ-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
Cc1c([C@H](N)[C@H](C)C(C)C)sc2ccccc12	2014292016	JPVUUHYAKYILGR-QMTHXVAHSA-N	247.407	4.502	0	10	BJAE	
CCC[C@@H](N[C@H](C)C1(C)CCCC1)C1CCC1	2014336274	CKDJDNOBVKSHHN-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H](C)C[C@](C)(O)C1CCC(C)(C)CC1	2015279883	ASHRCCGPYZBHKT-BBRMVZONSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C[C@@H](C)C(C)C)cc1	2015282219	TVRZHDIBGWBOAE-CJNGLKHVSA-N	234.383	4.526	0	10	BJAE	
CC(C)CCC[C@H](N)CCC(C(C)C)C(C)C	2015361364	SVIHABARDPGADD-HNNXBMFYSA-N	241.463	4.848	0	10	BJAE	
CCC[C@H]1CCCN1CCC(C(C)C)C(C)C	2015391630	CXQSENJXHJFDDA-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@@H](C)[C@@H](C)C2)CCC1	2015641987	LBQFHLCTYTZMJX-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H](C)CC(C)(C)C	2016118135	VSNIVGDPMZOQKV-ZBFHGGJFSA-N	239.447	4.913	0	10	BJAE	
CC(C)=CCC[C@H](C)NC1CC(C(C)(C)C)C1	2016143419	FJIKLXXZDSLYQX-NFOMZHRRSA-N	237.431	4.536	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNC(C)C)CCC[C@@H]1C	2017467302	VJYLOQFPMOAVRE-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C[C@@H]2CCCC[C@H](O)C2)CC1	2017714094	DKAWWOZUAMXGEU-CKUJCDMFSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@@](C)(NCCCC2CCCCC2)C1	2017866964	BGMHVPGVAAUXSG-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCC[C@@H]1CC	2018138765	KGVPWHPLNZMUQT-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
C[C@H](CC(=O)C[C@]12CCCC[C@@H]1C2)C(C)(C)C	2018618795	HZNJQWARJBPNSQ-XJKCOSOUSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@H](CC2(C)CCCC2)NC)CC1	2019005144	BDICCVUGJQSMCU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCN(CC1CCC(C)CC1)[C@H](C)CC	2019180633	DJQAWEDOLKDVDK-HWOWSKLDSA-N	239.447	4.713	0	10	BJAE	
CCC(C)(C)N(C)Cc1ccc2sccc2c1	2019410852	JFUOKXQCYVZTHV-UHFFFAOYSA-N	247.407	4.522	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@H](C)C1(C)CCCC1	2019414045	JRIQWKITHQDMOH-HUUCEWRRSA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1(C)CC(C)(C)C1	2020975974	IDMJAWOEZWWMSZ-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@H]1C[C@H]1C(C)(C)C	2022455008	SAGOGRYXFVOHIY-DSJMHWKBSA-N	240.431	4.636	0	10	BJAE	
CCC(O)(CC)C[C@@H]1C[C@@H]1C1CCCCCC1	2022455588	XRLMIHGTHLEMLV-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCC[C@@H](C)C2=O)CC1	2024002779	BPFQJKCESQBIGX-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](O)(C[C@@H]1CCCC(C)(C)C1)C1CCC1	2024121498	DOHYFFLXUXUNOZ-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CCCF)NCCC	2026083347	ZVITWGPQZBSTIJ-GJZGRUSLSA-N	245.426	4.711	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H]1CC12CCC2	2026171153	UNXBUELOYCGOEC-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@H]1CC2CCC1CC2	2028633816	LUKPIOUYSFHYPZ-GQGLESIBSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(CC(=O)C2CC[C@@H]3C[C@H]3CC2)CC1	2028965543	TVAZBEQDMIXYCO-BCAXMMLOSA-N	248.410	4.598	0	10	BJAE	
CC(C)CC[C@H](C)C[C@@H]1CCc2ccccc2N1	2029820642	LQUNTMOYWKEOMH-HOCLYGCPSA-N	245.410	4.876	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2[C@H]3CCC[C@H]32)CC1	2032822400	JUMYDCHGJDYGOF-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1NC1CC(C2CCCCC2)C1	2033829452	IQMJQZVAJZWXJN-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(C2(O)CCCCCCC2)cc1C	2035545138	UNONPOIMKHXYHX-UHFFFAOYSA-N	246.394	4.544	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@](N)(C1CCCCCC1)C2	2036660866	MGDWEZKZCSBRLW-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CN(C[C@@H]1C=CCCCC1)[C@@H]1CCCC(C)(C)C1	2036780079	MXUQKRAIXMDEGG-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
C[C@@H](C[C@H]1CNC2(CCCC2)C1)C1CCCCC1	2037729528	ILAVTBCBUHWBQQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)C2CC3(CCC3)C2)CC1	2039379369	ZDMQYGWMEGRVLZ-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)CC12CCC(CC1)C2	2039420770	NJPANKYQKGNJMC-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)c1ccc(NC[C@@H]2C=CCCC2)cc1	2039439664	ZMCHPAMMBBZJCN-HUUCEWRRSA-N	243.394	4.968	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C[C@@H]2CCC=CCCC2)C1	2045314051	GEUXFQRGMPZFQG-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)C1CCCCC1	2045324733	YJUYGZAYHWBINX-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CC[C@H](C[C@@H]2CCC=CCCC2)[C@@H]1C	2045326692	PPWOCEHHDVOVPK-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)C1(C(C)C)CCC1	2045818649	PHVODEZLHYJLGV-MRXNPFEDSA-N	249.442	4.703	0	10	BJAE	
C[C@H]1CC[C@H]([C@H](N)C[C@H]2CC23CCCCC3)CC1	2049681942	QSZVBFJWFXJLAT-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCC[C@@H]1[C@@H]1CCC2(CCCC2)C1	2049707884	LOCRUAIJXQEONH-HUUCEWRRSA-N	248.410	4.886	0	10	BJAE	
CC1(C(=O)CC2[C@@H]3CCC[C@@H]23)CCCCCCC1	2052505269	OXGIGAJKVYWLTQ-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CNC[C@@]1(C2CCCCCC2)CCCCC12CC2	2053357484	IGJSCJLTWZUYNI-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H](C)CC2CCCCC2)CCC1	2055554765	LPTXFLVJJWLEIZ-PBHICJAKSA-N	249.442	4.824	0	10	BJAE	
CCN[C@@H](C1CCCC1)C1(C)CCC2(CC2)CC1	2056559462	SYWZRCMACBPTQQ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(COc2cccc3ccccc23)C1	2056665379	CAESUHFCJFTUSQ-UHFFFAOYSA-N	240.346	4.655	0	10	BJAE	
CCCCCC1CC(NC2[C@H]3CCC[C@H]2CC3)C1	2059394631	YZAKAQMIVDXKCF-PYBGIAKNSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C)CC1)C1CC(CC)C1	2060924395	DVCPWCYZFIKZRR-DXCHVLGVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1(C)CCCC1)C1=CC[C@@H](C)CC1	2060925637	MDRGEFOVXYVWBP-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](CC)CC1)C1CCCCC1	2061097571	CQKRRGPPMSLDQR-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(N)C2(C)CCCCC2)CC1	2061122695	RGRWZDOKMCBJMP-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC1CCC([C@](C)(N)CC[C@]23CCC[C@@H]2C3)CC1	2061601496	HTRZVVOFVYKXPX-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2CC(=C3CCC3)C2)CC1	2061695704	GYUFQSUSMQQXHD-WFASDCNBSA-N	246.394	4.662	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CC1CC(=C2CCC2)C1	2061701888	NWZCNLDFKDHYOV-IRXDYDNUSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCCCCN1CC1CC(=C2CCC2)C1	2061706176	BOWZHKQBYCVOFK-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)CC12CCC(CC1)CC2	2065285144	BQJAPISILSMKPX-KRIMKBQASA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@@H](C)CC2)n1	2066348156	YULZBTVYQBMCMW-ZIAGYGMSSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CC[C@H]1CNC1CCC2(CCCC2)CC1	2068245211	QRJJBIOTXXTUHY-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H]2CC[C@@H]3CCCN[C@H]3C2)CCC1	2069345476	VGQPJBBNWJNBGU-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1(CC2CC2)CC1	2069516681	DTDNOSWUUCSKLA-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C1=CC[C@@H](C(C)C)CC1	2070311052	UFLVOVPERHGNPI-WBVHZDCISA-N	249.442	4.833	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CC1CC2(C1)CC21CC1	2072237778	ZVJTURXZBPYSTF-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C2CCC(C)(C)NC2)CC1	2072817844	HDXFZNUCHANFPU-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)c1cccc(C2CCC2)c1	2072912487	KKLMRNFCNVRMMN-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CN[C@H](CC[C@@]12CCCC[C@H]1C2)CC1CCCC1	2074031250	XSJJKKCNNYJGHC-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)CC[C@]23CCCC[C@H]2C3)c1	2074050699	LHVZHSKSAMXXKZ-RDJZCZTQSA-N	242.362	4.538	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)c1coc(C)c1	2074641177	HUXKPUDDMMFRHF-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CN(CCC1CCCCC1)[C@@H]1CCCC12CCC2	2074896943	SFZBFIDXUXESEM-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C1CC2(CCCC2)C1	2077183411	BORWKPDZVDCZSQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1cc(CC)ccc1CC	2079643483	XLVJHCOMBAWTMH-CVEARBPZSA-N	245.410	4.660	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)C1(CC2CCC2)CC1	2079845021	XCEUEJSVRJXYOK-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]2C2CCCC2)C1	2079851990	ODSFYNXZHOJWFD-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
Cc1cnc(-c2cc(Cl)cs2)cc1C1CC1	2080278800	JHIBSPMBUCIYNG-UHFFFAOYSA-N	249.766	4.649	0	10	BJAE	
CCC1CC(C[C@]2(N)CCC[C@H]3CCCC[C@@H]32)C1	2081134790	XJQNJYXKLZIPEF-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@H]3CCCC[C@H]32)CC1	2081136903	MADKCHWFPSESTP-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCc1cccc(-c2cc(C)c(N)cc2C)c1	2083395056	JKSDJEBYQLJJJM-UHFFFAOYSA-N	239.362	4.505	0	10	BJAE	
CC[C@@H]1CC[C@H](N(C)[C@H]2CCC3(CCCC3)C2)C1	2085279127	FMGYSBDJMCYQPZ-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CCC(CC)C(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213279574	IJYHVHQOBXIHIK-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(Cl)ccc1NC1CC(CC2CC2)C1	2213377084	FNZUKGZCUOFMMG-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
CCC1(NCCCCCCC2CC2)CCCC1	2213574705	XJQPROHETPLBMU-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCCNC[C@@](C)(CCC)CCCCC(F)F	2216426735	DOWJZBKYXWGDSI-AWEZNQCLSA-N	249.389	4.618	0	10	BJAE	
CCC[C@](C)(N)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2216746127	BVCFHEABIKCYQI-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
CC1(CNCCCCCCCC2CC2)CCC1	2216870108	JJCBVCOSAKUGRR-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC(C)(C)C)CCC[C@@H]1C	2217126211	AEFSJPJQUHBMKT-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CNC1CCC1)C(C)C	2217140960	KXWHUBHFQLHWKY-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H](C)CC)CCCC1(C)C	2217155881	GKBMESGMLDQSKF-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
COC12CCC(CCCC(C)=C(C)C)(CC1)C2	2217168825	YJEKDLMTNMZFJP-UHFFFAOYSA-N	236.399	4.862	0	10	BJAE	
CCc1cc(Cl)ccc1NCC1CC2(CC2)C1	2217241149	NNZSCONWYYLTKV-UHFFFAOYSA-N	249.785	4.505	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218375459	VEHNMWMHFFJRFL-QMHWVQJVSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C[C@@H]1C[C@H]2C[C@H]2C1	2218728281	VJBJPKNRTWBMTL-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CC[C@@H]2C[C@H]2C1	2218728819	WGXUQSJCAZCLNG-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C(=O)CC=Cc1ccccc1)C(C)C	2219094802	MANRDIQBZNNIIQ-UHFFFAOYSA-N	244.378	4.587	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C1(C)CCC2(CC2)CC1	2220958470	IWBGTWFIKVTKGP-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
C(CCCC1CC1)CCC[C@@]1(C2CC2)CCCN1	2223154990	OJLXBXVFUNGDRE-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H](C)[C@H](N)CC[C@@H](C)CCCC(C)C	2244871440	JLORRYAUMRUISO-RRFJBIMHSA-N	227.436	4.602	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC(C)(C)C1=O	2245481209	QFUGEHKJVKGKEV-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC1CC(C)(C[C@@H](O)C[C@H](C)CC(C)(C)C)C1	2246527701	QJRNWKFJVOLANT-REWIBIJMSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C(=O)CC1CC2(CCCC2)C1)C(C)(C)C	2246813646	KBRKKRDSFRAIJE-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](Nc1cccc(C(C)(C)C)c1)C1CC1	2249258517	MSVWGWHIYSHNNF-OAHLLOKOSA-N	231.383	4.585	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@@H]1CCCC2(CC2)C1	2250389187	HAEASTAWGBZHDS-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)C1CCCC1	2250482130	SBSMFVMWJGTDOB-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNC(C)(C)C(C)C	2250492606	WCNFCFAAPCXRQC-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](O)c1ccco1	2250495833	MCVYFEOFWKRPRQ-ZIAGYGMSSA-N	238.371	4.556	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@]12CCC[C@H]1CC2	2251211884	ODHOWKGCGTZFGN-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C1CC(CC(C)(C)C)C1	2251534080	GVLDJEDCWLMKJK-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC2CC(C)C2)C1	2251764330	BHEYRUDYYJXGJB-JYVUQVBGSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC1(C)CC(C)C1)c1ccco1	2253658730	RWFZVWAEVGSMQY-NPCAHTBFSA-N	249.398	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC[C@@H]2CCCCC23CC3)N1	2253853552	KEXDZYROCHNSGN-ARFHVFGLSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C2CC3(CCC3)C2)C1	2253939281	RKNDHCXRPLHKJY-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC(C)=Cc1cc(CNC(C)C)cc(C(C)C)c1	2254724740	XQFUYXRPTNRNLJ-UHFFFAOYSA-N	245.410	4.731	0	10	BJAE	
CNC[C@H]1CCC(C)(C)C[C@@H]1CC1=CCCCC1	2255138968	CPHRQFFLRJGBIH-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
N[C@H](CC[C@@H]1CCCC12CC2)CC1CCCCC1	2255291253	NLHHXCNHSNWCBO-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C/C=C/CCCc1ccc2cc(OC)ccc2c1	2256948580	NAIXLDBZORHIND-ONEGZZNKSA-N	240.346	4.747	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@]1(N)CCC2(CCC2)C1	2257316476	RFRNDYGXPBHOLG-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1CNC2(CCCC2)C1	2257361042	JZDQTQQDFJTLOU-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](Nc2cccc(C(C)(C)C)c2)C1	2257879449	NLKGLSUSNKSDAT-HNNXBMFYSA-N	245.410	4.975	0	10	BJAE	
C1CCCC(CNC[C@@]23CCC[C@@H]2CC3)CCC1	2260543100	RMXRHCVJEDQYNT-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](Nc1cccc(C2CCCC2)c1)C1CC1	2260660309	DOEOSNGBFLTADH-QGZVFWFLSA-N	243.394	4.945	0	10	BJAE	
CC1CC(CC[C@@H](N)CC[C@@H]2CCCC23CC3)C1	2261488659	IRUIJXDNWVEKPT-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CC[C@H](N)C[C@H]2CCC=CCCC2)C1	2261490602	LHNHBVMROFPCFW-XGHPGWEVSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](CC1CCC1)[C@](C)(N)C1(C)CCCCC1	2298921451	VBKFUYMMLZJUNC-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(=CC[C@@]1(CO)CC1(C)C)CCCC(C)C	2300894334	GMGYOSCTEPENMG-INIZCTEOSA-N	238.415	4.558	0	10	BJAE	
CCC(C)=CC[C@H](N)c1cc2ccccc2s1	2300908142	ZZMHADWUQUUYFE-ZDUSSCGKSA-N	245.391	4.648	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)NCC1CCCCCCC1	2301685671	OCNOICQRGDMTII-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(O[C@H](C)[C@H](C)C(C)C)cc1	2301840844	QPTBJXKOYWGZBH-ZIAGYGMSSA-N	234.383	4.869	0	10	BJAE	
CCCCCCc1ccc2c(c1)CC(C)(C)C2	2302225291	SQFIHFNNKLVBFL-UHFFFAOYSA-N	230.395	4.934	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@H](C)[C@@H](C)CC	2302575659	YTKGOLNMFOODHG-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC[C@H]1CCC(C)(C)C1)C(C)(C)C	2302902140	MZPSCDVJHSZKBV-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@H]1CC[C@H]1C(C)(C)C	2303472144	OUAKVHNIJIPXSB-TZMCWYRMSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)c2sccc2C)CC1	2303518331	ACAGYVNHXDESPT-ZIAGYGMSSA-N	249.423	4.583	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CC[C@H]1CCC(C)(C)C1	2304393294	FHVCIAFCAHYFOE-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)C[C@H](N)CC[C@@H]1CCC(C)(C)C1	2304413462	VXSGQTGSVASKEZ-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCCC(F)(F)C1	2307751451	GXXRZVVSOGHLNC-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCCNC[C@H](C[C@@H](CC)CCC)C1CCC1	2307835797	SZYQICPARCRKSQ-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1c(C)coc1CC	2307895241	PNPVMMSKTRJPPR-GFCCVEGCSA-N	236.355	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)CC1CC2(CCC2)C1	2307906049	BKABPWKJRYASMI-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C(=O)C[C@H]1CC[C@@H]2C[C@H]12)C1CCCCC1	2310924327	COHDJLUNZNKDOP-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)C[C@@]23CCC[C@@H]2CC3)C1	2313342849	TXKRARPEIKJZOF-MPTYRVRUSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(F)c1NC(CC1CC1)CC1CC1	2313594836	UPPWRCBHRZIIDJ-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC(=CCNC12CCC(CC1)C2)CCCC(C)C	2316490360	JYPHINIZRIBPNQ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1N)CCCC(C)C	2316553946	FHPZECIUMSMCGH-NXOAAHMSSA-N	249.442	4.523	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C[C@H]2C=C[C@H]1CCC2	2316669252	ZZJJDGSAWKDVRU-ZACQAIPSSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316877295	DDSBPSPJSMBZEF-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1C[C@H]2CC[C@H]1C2	2317917850	NPCHAENNWOUVKP-SLEUVZQESA-N	247.357	4.550	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ncccc1C(C)C	2318002432	XKHZDBKKLXLSBB-UHFFFAOYSA-N	245.366	4.524	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CCCC2=CCCCC2)[C@H](C)C1	2318548514	MRSSAFCXQGGXGG-SQWLQELKSA-N	248.410	4.908	0	10	BJAE	
Cc1cc([C@H](O)CCCC2=CCCCC2)oc1C	2318581031	RPSXCLFVIVWUIN-OAHLLOKOSA-N	248.366	4.601	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@H]2C[C@H]21)C1CCCCC1	2319254092	ZWLCEKIYIRJSMV-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
c1cc(N[C@@H]2CCCC[C@H]3C[C@H]32)cc(C2CC2)c1	2319346916	DWRKTGSHLWUGLT-USXIJHARSA-N	241.378	4.555	0	10	BJAE	
CC1=C(C)C[C@@H](CNCCC2CC(C)(C)C2)CC1	2320414112	WFSCLXOXQBIRAW-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)[C@@H](C)N(C)Cc1cccc(C(C)C)c1	2320657060	JHGJEDARNBMJDW-LSDHHAIUSA-N	247.426	4.676	0	10	BJAE	
C[C@@H](NCC[C@@H]1CCC(C)(C)C1)c1ccccc1	2321524758	AYUYCXDYZKDNNM-CABCVRRESA-N	245.410	4.554	0	10	BJAE	
CC(=CC[C@H]1CCC(C)(C)C1)C[C@H]1CCCCN1	2321604639	DQUFGAGHEGDDME-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)C2(C)CC(C)C2)c1	2327704137	RAAYOQOYKRNUDD-BLDCVEFLSA-N	246.394	4.588	0	10	BJAE	
CCc1ccc(-c2cc3cc(C)ccc3[nH]2)cc1	1519644	XIKKPCHBTJFZTD-UHFFFAOYSA-N	235.330	4.706	0	10	BJAE	
CC(C)Cc1ccc([C@@H](C)N[C@@H](C)C(C)C)cc1	20523023	WYNLUZFFWVAPJR-LSDHHAIUSA-N	247.426	4.580	0	10	BJAE	
CCCC[C@H](C)Nc1ccc2ccccc2c1	37276983	STMGKNMJOAWZCU-ZDUSSCGKSA-N	227.351	4.830	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2C[C@@H]2C)c(C(C)C)c1	37357235	JBRRJHUZHJDQQE-LRDDRELGSA-N	244.378	4.772	0	10	BJAE	
CCC[C@@H](CCO)c1cc(C(C)(C)C)ccc1C	41302364	RLNGRKRHBAGBRS-AWEZNQCLSA-N	248.410	4.559	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)[C@H](C)C[C@@H](C)C2	49829116	XDWJVFXHZHUEHS-NXEZZACHSA-N	237.774	4.544	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCCC[C@@H]1CC	71163230	BINWUADENAJRTR-OWCLPIDISA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)Sc1cc(Cl)cc(Cl)c1	79638449	VXUOVUBEOUWILO-UHFFFAOYSA-N	235.179	4.884	0	10	BJAE	
C[C@H]1C[C@H](Nc2cccc(Cl)c2)CC[C@H]1C	84836864	PRZNNDNOEVCLKI-UHIISALHSA-N	237.774	4.577	0	10	BJAE	
C[C@H]1C[C@@H](CC[C@H](O)c2ccccc2)CC[C@H]1C	85038197	SLBZEMVLXVXVTN-DLTWYDFYSA-N	246.394	4.573	0	10	BJAE	
CC[C@H](N)C1CCCCCCCCCCC1	86161967	GHDGHTVCQRANOZ-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1CCCC1(C)C	86865411	VDIARCRQYGQITO-GFCCVEGCSA-N	237.774	4.639	0	10	BJAE	
CCN[C@H](C1CCCCCC1)C1CCCCC1	87947914	UBEDZPQSFZSFRG-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](Cc1ccc(C(C)C)cc1)NCC	93073743	VFFDPVNYIRYBHW-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1ccc(CC(C)C)cc1	94902138	KXRKAEXJEBELMG-PBHICJAKSA-N	248.410	4.745	0	10	BJAE	
CCCCC1CCC(CN)(C[C@H](C)CC)CC1	103997822	PNGGBQSNJVRJJA-QQFBHYJXSA-N	239.447	4.748	0	10	BJAE	
CCC[C@](C)(CNCC(C)C)CC1CCCC1	110203780	RPDMCUXSKOJYBP-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CCCNCCC(C)(C)[C@@H]1CCCC[C@H]1CC	133911172	GOBPRDCFVOXHBQ-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccc(-c2nc(C3CC3)cs2)cc1	134615512	ITSWXXBZPFBJFZ-UHFFFAOYSA-N	243.375	4.811	0	10	BJAE	
C[C@H](NCC1CCCCC1)C1CCCCCC1	149866134	GMWOHCDLFFTATQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1cc2ccccc2o1	159213086	KJJFJVDCVXNSNY-WBMJQRKESA-N	246.350	4.683	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)c1ccc(C)c(C)c1	162204412	KSVVMVIMABMDKG-GUYCJALGSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC(C)(C)C)C(C)(C)C	164692414	HBGJMYUUPKELAY-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)C/C=C\CCNCC(C)C	211886342	QAYNSBHOUXSFFE-QWGSZXSUSA-N	239.447	4.785	0	10	BJAE	
C1CCC(CCCN[C@@H]2CCC[C@@H](C3CC3)C2)C1	225037315	FKMQLGJVXAQWDE-IAGOWNOFSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@H]2CCCC2(C)C)cc1	226560497	FPXLUJJQIGWLSO-HZPDHXFCSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@H](CCC)c1cc(C)c(Cl)s1	226675998	ZOKYWIOLSVGGAZ-SNVBAGLBSA-N	245.819	4.551	0	10	BJAE	
CC(C)CCC[C@H](N)c1cc2ccccc2s1	229174990	CSTZUVCTSLXLTH-ZDUSSCGKSA-N	247.407	4.727	0	10	BJAE	
CC(C)CC1([C@H](O)CCC(C)(C)C)CCCC1	229341043	UOIXOYQFHAWLGT-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)[C@H]1CNc2ccc(C(C)(C)C)cc21	232867707	AYFFVPLXMRAWMO-AWEZNQCLSA-N	245.410	4.929	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@H](CCC(C)(C)C)CN2	235832951	GCKPDXZEBUZYHA-CYBMUJFWSA-N	231.383	4.639	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C[C@@H](C)CC	300807916	FMOZLKZBDZQRPC-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H](C)CC)NCCC	300893938	IAIKCQOHHPVATF-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
C[C@H](CNc1cc(F)cc(Cl)c1)C(C)(C)C	304274096	KZDLJCACNAIEQM-SECBINFHSA-N	243.753	4.573	0	10	BJAE	
CCC[C@@](C)(CCC1CCCCC1)CNCC	305927870	JDXDOVVJMWYYTK-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CSc1ccc2sc(Cl)c(C)c2c1	306955819	QSRNJICMIJHAQK-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)CC1(C)CCCC1	310344482	FQQBAZIBJCLXRT-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2C[C@H](C)[C@@H]2C)cc1	310467300	AHAHNVRSRQSDMU-WFGGJUAMSA-N	231.383	4.657	0	10	BJAE	
CCCN[C@@H](CCC1(C)CCCC1)C(C)(C)C	310548922	TYRGNGZCFTXXBW-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](c1ccc([C@H](C)CC)cc1)C1(C)CC1	310614986	DRACSWSUBMOCLC-CJNGLKHVSA-N	245.410	4.651	0	10	BJAE	
CCCNCC1(CCC2CC2)CCCCCC1	317445658	MOSKROUOTGBKTO-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@@H](CC1CCCCC1)NC(C)C	380361208	VPIYRXCKXXWRPF-HNNXBMFYSA-N	225.420	4.514	0	10	BJAE	
CCc1ccc(CNCCCCCC(C)C)cc1	383127538	CLGRJLUHSNZKGL-UHFFFAOYSA-N	247.426	4.555	0	10	BJAE	
CC1(c2ccc(Cl)c(F)c2)CCCCC1	383406098	APZSICBXVBCIFT-UHFFFAOYSA-N	226.722	4.701	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@@H]1CCC[C@@H](C)C1	385302957	VWBCSMPKNASIBM-IUODEOHRSA-N	244.378	4.703	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C1(C)CCCCC1	386293917	HJOLPPAXSYWEAM-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@](O)(CC)C1CCCC1	387597547	VBNCVGIXYGYAFV-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC2(C)CCCCCC2)C1	394580171	BWFZCFDHVDARMZ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(O)CCCC	394581871	SYAYYPFSEGFUFH-KGLIPLIRSA-N	214.393	4.534	0	10	BJAE	
CCc1cc(C(F)F)c2ccsc2c1C	396219762	KUWHCLNPLZDZDZ-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1c(C(F)F)sc2ccc(C)cc12	396223683	OBQLQLRKEZCLPW-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCC[C@H](N[C@H]1CC12CCCCC2)[C@@H]1CC1(C)C	397655187	MQIBCPOJGDFMTA-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@@H](C)C(C)(C)C	399326110	SCTDOOIOSNIRAW-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
C1=C[C@@H](NCCCC2CCCCC2)CCCCC1	694010508	ULWFMPFERYPLEW-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H](NC1CCC2(CC1)CC2)C1CCCCC1	695971448	ACPFOUDGOQQSBK-MRXNPFEDSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1cc(C)c(C)cc1C	696682530	IYDQRILIXWNCQM-INIZCTEOSA-N	248.410	4.862	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C(C)(C)C1CCC1	697810673	POXMUWHGZIIMAR-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1C[C@H]2CC[C@H]1C2	704970662	FYEIATGONDVVPG-VIQHNZTISA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@H](O)CC(C)(C)C1CC1)CC(C)(C)C	709168891	TVJKVVNXOITRCQ-GXTWGEPZSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CCCCC[C@@H]1C(C)C	709216976	JRMNWKPEUZZJSO-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@](N)(C[C@H](C)CC(C)(C)C)C1CCC1	709243773	NMULCYSUIBFSOO-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CC1(CN[C@@H]2C[C@@H]3CCCC[C@@H]32)CCCCCC1	712401411	DQLJPZGQHZNVKN-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc([C@@](C)(O)CC(C)(C)C(C)C)c1	713182879	MIZCUSSNLCZQFL-KRWDZBQOSA-N	248.410	4.583	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)C(C)(C)CCCC3	719252593	ZRWDGMUPXDVPKE-UHFFFAOYSA-N	241.378	4.789	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)C1CCCCC1	720976698	HZCNKCRBSHHKTR-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@H]1C[C@@H]1CC	723080073	TUUBTOUMOUGTFO-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CN(CC1CCCCC1)C1CCCCCCC1	1473143011	BHKVGXBEMWXEKU-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
C[C@@H](SC/C=C\Cl)c1ccc(Cl)cc1	1640885879	AFFIUTZRMZJILD-RMGQIXRRSA-N	247.190	4.887	0	10	BJAE	
CCN(CCC(C)(C)C)c1cccc(Cl)c1	1657592529	CLWJDUHNGRYOSC-UHFFFAOYSA-N	239.790	4.603	0	10	BJAE	
CCC1(C)CCC(N[C@@H](C2CCC2)C2CC2)CC1	1658272611	ACJGSLYJUWCEOF-CGZBRXJRSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC=C(C)CC	1900858103	NBEQURKOBVRLKM-AWEZNQCLSA-N	224.388	4.764	0	10	BJAE	
CCc1cscc1N[C@@H]1C[C@H](C)CC[C@H]1C	1902377574	VUHOPNKOIVBIRI-NQBHXWOUSA-N	237.412	4.547	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)CCC(C)C)CC1	1902832346	OTSGQRBOUAHOFD-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C1CCCCCCC1	1908590944	BKNZUFZKLLLZFV-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC1(CN[C@@H]2CCC3(CCCC3)C2)CC1	1916403642	YRZCOVPQOMBCED-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@](O)(CC)CCC[C@H]1CC1(C)C	1919538923	QJOHBWUYOXKWJO-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@](C)(O)c1ccc(CC(C)C)cc1	1919644398	NVWBQRUYHROXJF-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCC(CC)C[C@@](C)(CNC)C1CCCCC1	1924104914	HPRADDAOXCAHPH-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(F)(F)CCCC[C@H]1C=CCCCC1	1925874968	QYBDEXIWNPRGFB-LBPRGKRZSA-N	216.315	4.948	0	10	BJAE	
CCCCC[C@@](C)(N)CCCC(C)(C)C	1933730897	NUMPPGOTWCGLNF-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CCC1(C)CC1	1935882152	JPDLDQTWGXNHFU-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CC)CC[C@H](C)CCC(C)C	1937174092	MTUYNOOOVZKUQU-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC1(CC(=O)C2C(C)(C)C2(C)C)CCCCC1	1940385680	WCNDAZSCRAAMKO-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CCCC2(C)CC2)C1	1940884179	XSTWFTNXUMANDP-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CCCC1(C)CC1)NC	1941261532	SMDCVUFBSMKEJX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(C(=O)CCC[C@@H]2CC2(C)C)C1	1941986335	WSVBLHYOZRMGGK-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCC1(C)CC(C)(C)C1	1942074228	WGLXBYMPUSJDNJ-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@H](C)CCC(C)C	1942658511	HIVXQDWUPAGKIA-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](O)CCCC1CCC1	1944617480	CFVNNSIVXQOXCA-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CN)CC1CCC(C(C)(C)C)CC1	1945809074	QRJNRHPJZWQKPM-SLTAFYQDSA-N	239.447	4.604	0	10	BJAE	
CCCCC[C@@]1(CNC(C)C)CC12CCCC2	1948070618	RUOXGMIYTMTHCH-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)[C@H](C)C1CCCCC1	1949082294	FANYKYUHHXJJIK-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)[C@@H](C)C1CCCCC1	1949082297	FANYKYUHHXJJIK-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CC=CCC1)C(C)(C)C	1949832227	ULSIQRCOTKJOTC-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1CC12CCCCC2	1950612226	LIMLUGTYSSKNPD-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](NC)[C@H]1CCCC(C)(C)CC1	1950920379	UXPMOMDPQFJJCU-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)NC[C@H]1C(C)=CCC[C@H]1C	1950981825	YYIPUIOGISVOEA-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cc(Cl)sc1C	1959934775	PQFRQVHJDRJBTN-SFYZADRCSA-N	244.787	4.575	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCC3(CCC3)C2)[C@@H]1C	1968346872	SNHFPAUNUPVVRC-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(F)ccc1NC1C[C@@H]2CCCC[C@H]2C1	1968360958	BLFZJCDAAVSUQK-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
Cc1cc(F)cc(NC2CC(C)(C)C(C)(C)C2)c1	1968594948	IVKFZKGUBHQKAD-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CC(C)C(N[C@@H]1C[C@@H](C)c2ccccc21)C(C)C	1968603910	IOYRAZVSUVQRIU-CZUORRHYSA-N	245.410	4.505	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCN1CCCCC12CCCCC2	1972913118	USAKGKVMSCVPNG-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CC1(C)CCCCC1	1976002716	DNZOEINUWLGIRB-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)CCC(=O)c1ccc(Cl)cc1	1980685138	ODNKDINGBJCQPB-NSHDSACASA-N	238.758	4.739	0	10	BJAE	
CC=CCCC[C@H](N)C[C@H](C)CC(C)(C)C	1984629810	KYNZRPFYLXGTSX-KBPBESRZSA-N	225.420	4.523	0	10	BJAE	
Fc1cc(CC2CC(=C3CC3)C2)ccc1Cl	1985528428	CHVUBDBAPBYKBS-UHFFFAOYSA-N	236.717	4.522	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)[C@@H](CC)C(C)C	1988778239	MAEGZLMTAZTHLU-ILXRZTDVSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(C)c(C)c1	1989818690	KKXDOGVTIIIRSB-CYBMUJFWSA-N	219.372	4.540	0	10	BJAE	
CC=CCCCN(C)[C@@H](CC)CCCCC	1990124133	VCAQQYQEKKDLAC-HNNXBMFYSA-N	225.420	4.633	0	10	BJAE	
Cc1cccc(C[C@@H]2C=CCCCC2)c1Cl	1994174898	RQKHSNDKPDJLDL-CYBMUJFWSA-N	234.770	4.937	0	10	BJAE	
CC1(C)CCC[C@H]1c1nc(C2CCC2)cs1	1995471885	QGEXFWTVRIYVEW-NSHDSACASA-N	235.396	4.704	0	10	BJAE	
C[C@@H](NCCCC1(C)CC1)C1(C)CCCCC1	1995987856	WCKWNWCOPZXXTO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](O)(C[C@H](C)CC(C)C)C1CCCCC1	1996548342	QVSYVSQUTKPPHD-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCSc1ccccc1NCC[C@H]1CC1(C)C	1996565145	YEOJDFPBWJVFBM-LBPRGKRZSA-N	249.423	4.647	0	10	BJAE	
CCCC(C)(C)[C@@H](CC1CCC=CCC1)NC	1996610927	NTAPQKOLIRIGNF-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCC(C)(C)[C@@H](CC(C)(C)C(C)C)NCC	1996611293	QQZNSQVLXZWEBV-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CCC=C(C)C)CC1	1997116165	JMEVXVQIFXGUHV-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
Cc1cscc1[C@H](N)C[C@H]1CCC=CCCC1	1999988620	RXEVITXVYTVPHX-DZGCQCFKSA-N	249.423	4.583	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CC(C)=C[C@@H](C)C1	2000355418	JVMYRAWOIATYJM-KBMXLJTQSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CCCC1CC1)CNCCC	2000518365	NFDDGEDAYRVHMR-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCCCC[C@H]1CCCCCCC[C@H]1NC	2003115554	BRJMXOQTHOWGKV-JKSUJKDBSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CC=C(C)C)NCC	2004230631	YLLZCNLDOCXYNZ-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CC[C@H]1C[C@@H]1CC1(N)CCC(CC)(CC)CC1	2004344084	BZRWTHKUZFLHNE-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC=C[C@](O)(C[C@@H](C)CC(C)(C)C)C1	2006657238	HMADRVUBGHRUEA-LZWOXQAQSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CC(CC)CC)[C@@H]1C	2006977874	FZMHNUKMMVSLJE-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1ccc([C@H](N)C=C2CCCC2)s1	2007937192	MDXBFQRYRYWORH-GFCCVEGCSA-N	249.423	4.546	0	10	BJAE	
CC=CCCC[C@H]1CCC(C)(C)C[C@@H]1NCC	2009618785	FLGQLKKKWNGGON-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H](C)CCCC	2009629206	RKHRUMDTRGDRJL-AUPUMLSVSA-N	239.447	4.927	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](O)CCC(C)(C)C)CC1	2010712224	HIEUJHZGAZGJNN-ZFWWWQNUSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C1=CCC(C)(C)CC1	2010712306	HYULCTBIXQWVKS-BBRMVZONSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)c2cccs2)CC1	2010729010	KTHBFTMZRRGXCL-OCCSQVGLSA-N	249.423	4.521	0	10	BJAE	
CCCC[C@H](CC1=CC[C@@H](CC)CC1)NCC	2010769773	TZWOUJFBXGFYTR-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@H]1C[C@@H]2CCC[C@@H]2C1	2011949034	YZJPUYJQNHUCBQ-ZSOGYDGISA-N	236.399	4.598	0	10	BJAE	
CCC1CCC([C@@](C)(N)C[C@@H](C)C(C)C)CC1	2015409815	AYZGOUKDRQPCQO-LMPOIIKSSA-N	239.447	4.602	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H](C)C1CCCCC1	2016149204	HAZJKNYENUVJLZ-CABCVRRESA-N	237.431	4.680	0	10	BJAE	
CCCC1(CN[C@@H](C)CCC=C(C)C)CCC1	2016150710	XKKBFXRGJUXZBF-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
Cc1cccc(C)c1OCC1(C(C)C)CCC1	2017124773	IJFVLSLRIHDFRN-UHFFFAOYSA-N	232.367	4.509	0	10	BJAE	
CC(C)CCCC(=O)CC1(C(C)(C)C)CCC1	2017128286	AMPOFLUVSXDLCG-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C[C@@H]1CCC=CCCC1	2017235143	FCSIBKBJHBLTMX-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC(C)=C(F)C[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	2017463569	LAWKOWSFEMOXON-RYUDHWBXSA-N	240.362	4.671	0	10	BJAE	
CC(C)=C(C)CC1(N)CC(C)(C)CC(C)(C)C1	2017470328	KVKNDPJOMRHWIZ-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CCCC1CCC(C[C@@H](O)C(CC)CC)CC1	2017650215	DSBGDNZIRUSVNP-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](CNCC(CC)CC)CC1	2017663847	ZDWPUNCWZKTOON-WKILWMFISA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)C[C@H]1CC[C@H](C)CC1	2017739926	XYMAWCHBIFUVEW-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1(CC)CC1)NCC	2018999783	MRWQYGLEPUWWDN-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCN(C)CCC1CCCCC1	2019180328	BICKXNYBQQIMPQ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC(C)CCCN(C)[C@H]1CCCC(C)(C)CC1	2019301219	AZFUDKNPKJUCSK-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N(C)CCCC(C)(C)C)C1	2019328803	VNTBDKDVAKRPGI-FICVDOATSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](C)N(C)C[C@H]1CC[C@H](CC)CC1	2019480810	OTUIPUODRHCNGK-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H]1CCC(C)(C)C1	2020970324	BDXIZJPTUWMCDA-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CC=C(C)C)c1cccc2sccc12	2023335786	JYLISZLCTRFHHH-AWEZNQCLSA-N	245.391	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CC(C)(C)C1(C)C	2025002947	DWOMNGAPAAXEQU-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCCC1(C[C@]2(O)CC[C@H](C(C)C)C2)CCC1	2025573649	WXKSMMYTCJOOJA-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1(C)CCCCC1)C(=O)c1ccccc1	2027297335	RCOMIEDUQNQXIJ-AWEZNQCLSA-N	244.378	4.866	0	10	BJAE	
CCCc1ccccc1[C@H](N)C[C@H](C)CC(C)C	2027901289	JHSZGXHEYPGRNZ-RHSMWYFYSA-N	247.426	4.711	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@@H]3CC[C@@H]32)cc1	2027990936	KPEXMWFZARZLJN-VBNZEHGJSA-N	243.394	4.585	0	10	BJAE	
O[C@H](CCCC1CCC1)c1ccccc1C1CC1	2028495247	KOEXMVSVXLQLPP-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
Cc1ccc([C@@H](O)CCCCCC2CC2)c(C)c1	2028620035	YSQAQCIJFHDHGQ-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
N[C@@H](CC1CCC=CCC1)C1CCCCCCC1	2028897887	PZAVOROKYGLQQT-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@H]1CC12CCC2	2032136330	SPKSOJUQHLHJPX-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1(c2ccc(NC[C@]3(C)CC3(C)C)cc2)CC1	2032242612	JXHHDUHUQMBBGI-KRWDZBQOSA-N	243.394	4.586	0	10	BJAE	
CC1(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@@H]2N)CCCCC1	2034255533	CWYZCFYWYCBCNU-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)c1c(C)coc1C	2035533834	XTXYVPHVWHNXRT-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
CN[C@@H](CC1CCCCCC1)C[C@@H]1C=CCCC1	2035575339	GTSIVKFRZSJTTP-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C[C@@H]1C=CCC1	2035596621	DALAFKMXQOFIAO-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@H]1CC[C@@H]2C[C@H]2C1	2037130669	PKZFEDBZXWXNPG-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](N)c1ccc(C2(C)CC2)cc1	2037208325	VFJVFSMMWPXMQW-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CCCc1cccc(-c2ccc(N)c(C)c2C)c1	2037363228	RIMZDGGFJJBLMS-UHFFFAOYSA-N	239.362	4.505	0	10	BJAE	
C[C@H](c1nc2c([nH]1)[C@H](C)CC[C@H]2C)C1CCCC1	2038001042	XHOUVQRHOMSAQS-UTUOFQBUSA-N	246.398	4.704	0	10	BJAE	
CC[C@H](CC1CC1)NC[C@@]12CCCC[C@@H]1CCC2	2038362322	FOKGWQYPWPXURW-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1(CNC[C@@H]2CCC3(CC3)C2)CCCCCC1	2038582686	JFLXQMLCHFYABX-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](N(C)C[C@@H]1C=CCCC1)C1(C)CCCCC1	2039832804	FCTUBOVRXSEFFJ-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
C[C@H](N[C@@H]1CC12CCCCC2)C1(C)CCCCC1	2039866679	AKOAYNSAMCOEMY-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CC[C@@H](CC2(CNC(C)(C)C)CC=CC2)C1	2040170931	APVLYJGUNSKJDC-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2CC[C@@H](C)C2)CC=CCC1	2040171168	CCQFBFCBODORJD-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CCCN1C[C@@H]1CCC=CCCC1	2045312481	OHEKJVJPTRENIP-SJORKVTESA-N	249.442	4.633	0	10	BJAE	
CCN[C@@H](c1ccc(C)cc1)C(CC)(CC)CC	2045798809	FVOPONRCEBDKDC-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
CC(C)c1cccc(NCC2(F)CCCCC2)c1	2047245345	SXDACHLCBPXKQA-UHFFFAOYSA-N	249.373	4.894	0	10	BJAE	
CC(C)NC[C@]1(CCCC2CC2)CCC12CCC2	2047934416	AZLIGNQDHWDZTJ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(=C2CCC3(CCCN3)CC2)CC1	2048948695	JSTGUNJVEDDUNK-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CC1CCC(CC2CCC3(CCCN3)CC2)CC1	2048950765	OXMARHLOUJIYBW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@@H](C)N[C@H](C)c2ccoc2)CC1	2049411862	LMHAOZVMVYRBAM-LMRVLLHPSA-N	249.398	4.535	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@H]2C=CCCCCC2)C1	2049562345	XGVYRWANZODFHZ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(CC(=O)CC2CCC3(CC2)CC3)CCCC1	2049940497	MKZILCGQPLCWOL-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
O=C(C[C@H]1C=CCCC1)[C@H]1CCCCC12CCC2	2053356661	FYSJLYXFWARNNO-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2CCCCC23CC3)C1	2053361846	VBPJZDIVFAQPFY-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
Cc1cc(Cl)c(C(F)F)c(C(F)(F)F)c1	2054888217	JAFLHFRSJCJEDM-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
C[C@H]1CCC[C@@H]1C1(N)CCC2(CCCCC2)CC1	2055305227	XQBXSIQFOUSJMR-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC1CCC(C)(CN[C@@H]2CCC3(CCC3)C2)CC1	2056536238	BJZOCFDMNXHUKB-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)C1(C)CCC2(CC2)CC1	2056551446	FLXHUFCVNIJGIE-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2CC(C3CC3)C2)CC1	2056675391	LVVNAVCFRDHMGQ-ZHGJTGPASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@@]1(C)CC=CCC1	2059183560	LRIGDNIENWKJLR-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2059203463	KRRGCYDWQQOCPT-UNCVUKBVSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CC=C([C@H](N)C2(C)CCCCCCC2)CC1	2060922270	QPQYJGPBWGELGR-ZBFHGGJFSA-N	249.442	4.811	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)C2CCCCCCC2)CC1	2061099323	OHNFWPQWDQXCKU-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
C=C=CCC[C@]1(CNC(C)C)CCCCC1(C)C	2061563291	NJBVRWNFPJXCGW-QGZVFWFLSA-N	249.442	4.692	0	10	BJAE	
CCC[C@](O)(CC1CC(=C2CC2)C1)C1CCCC1	2061685795	VVWFMDIDBMBFJE-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1CC(=C2CCC2)C1	2061741056	GUNOZMKXWIZJES-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CCCC[C@@](CC)(CNC)CC1CC(=C2CC2)C1	2061741435	LOKHVZDFGQIORE-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCCC[C@@H]1N[C@H]1CCCCCC12CC2	2062015910	BZGCDJHHBGFXON-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2CCCCCC23CC3)CC1	2062019909	XJWCRXHHDYLHMZ-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1C[C@H]1CCCC1(CNC2CC2)CCCCC1	2062652394	OGDKYSIMUBICPE-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCC12CCCC1CCC2	2063900960	SUYJUGKCYBOHPF-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
CC1(CCCNCCC23CCC(CC2)CC3)CC1	2065258544	IMRSTLJZOQXQLL-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1C[C@@H]2CC[C@@H]2C1	2068796431	RKZRHCYROOSCTP-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc([C@@H](N)CC(C(C)C)C(C)C)cc1	2068822853	ZWPCLJLTRUUVER-KRWDZBQOSA-N	247.426	4.567	0	10	BJAE	
Cc1cc([C@H](N)C[C@@H](C)C2CCCCC2)oc1C	2068908307	CNYSQJOWBYNDRY-IUODEOHRSA-N	249.398	4.503	0	10	BJAE	
CC(C)C(C[C@@H](C)[C@@H](N)c1ccccc1)C(C)C	2069019399	OSMFWPZNQMQVDJ-RHSMWYFYSA-N	247.426	4.641	0	10	BJAE	
CCCC1(CC(=O)c2ccc(C)cc2C)CCC1	2069285055	OAQZESFFWUFNRC-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CCCC1(C[C@H](NC)[C@]23CCCC[C@@H]2C3)CCC1	2069337283	JLZKJSBWYKIZKJ-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](Nc1ccc2ccccc2c1)C(F)F	2069614675	LBHBTMBJJNKVDS-CQSZACIVSA-N	249.304	4.686	0	10	BJAE	
C[C@H](Nc1ccc(C2(C)CC2)cc1)C1CC=CC1	2070793999	GXXSXJCDBFVFPZ-ZDUSSCGKSA-N	241.378	4.505	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C[C@]12CCC[C@H]1C2	2070972076	QRGQTJYQYISILW-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1=CCCCC1)CC1(C(C)C)CCC1	2071954151	SKPVXYKFHLCCND-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(CN2CCC[C@@H]2C2CCCCCC2)CCC1	2071965883	YZEKUHMXCSWUTI-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H](CC)c1ccccc1	2072418532	UDLZSOORLKJLDL-DLBZAZTESA-N	245.410	4.515	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2072428814	JIVVTCFPPKEEEB-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@H](CC)CC1)C1CC=CC1	2072790344	FRSPNQAFNYRNKL-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCC(C)=C[C@H]2N)CC1	2072801383	NNCGYKPHWFADSL-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(C)cc1OC	2073355668	RMKAWAITFJHWMY-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CCN[C@H](C[C@]12CCCC[C@H]1C2)C1CCCCC1	2074028026	FAWVTAWHTSLFHC-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CN(CCC1CCCCC1)[C@H]1CCC2(CCC2)C1	2074886557	VKCWCRDHSDMWJS-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCN(C[C@@H]1C=CCCCC1)C1CCCCCC1	2076555905	ISHLKJZDQDLVQD-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CCN(CCC1=CCCCC1)C1CCCCCC1	2076556262	NEMSRWQABUHKRD-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C12CCC(CC1)CC2	2077194227	AIUGAXWTBXYBNR-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@H]2C[C@H]2C(C)C)cc1	2079850469	FPSUEIHIZUMIEB-CVEARBPZSA-N	244.378	4.675	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@H](C)C(CC)CC	2081208788	IWBGFMUDNWYZCP-KGLIPLIRSA-N	247.426	4.724	0	10	BJAE	
CC(C)NC[C@@]1(CC=C2CCC2)CCC[C@H](C)C1	2081677424	LSCJKZFCVPOCAF-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CC(CC)C1)C[C@@H]1C=CCCC1	2084996313	VFUUSZQVZSRVCF-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@H]1C[C@@H](O)CCCCCCC1CC1	2213577554	CTDJNCRYLAWKAQ-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@](O)(CCCCCCC1CC1)C1CC1	2213579611	UKXFTNSRTFDFHI-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@H](C)CC(C)C	2214565622	OFMSPASLBYOKPK-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(CCCCC1CC1)C1CCCCC1	2214579514	GZJONOBFRZBRLT-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)C1CCCCC1	2214781660	YQYICNNFRVQKDX-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)CC1CCCCCC1	2215343950	XPLZBXDUFFDDFI-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@@]1(C)CC=C(C)CC1	2215819499	WFASWWFBSNKVFI-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)c2c(C)csc2C)CC1	2215824683	WFGXLHHSTPEOSE-HNNXBMFYSA-N	248.391	4.684	0	10	BJAE	
CC1=CC[C@H](CN[C@@H](C)CCC(C)(C)C)CC1	2215834646	PHQUOSQTYZDOPT-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CN(CCCCCCCC1CC1)C1CCCC1	2216863635	QTFMFTWCXMDRKE-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC[C@@H](CN)CCCCCCCCC1CC1	2216891120	HCKUTPBYOICHCN-MRXNPFEDSA-N	239.447	4.892	0	10	BJAE	
CC[C@H](C)NCC1(CC2(C)CCCCC2)CC1	2217142216	PCRPBESSRIYLHW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NCC1([C@H](C)C(C)C)CCCCC1	2217155171	AALASFRRIHNGHX-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CCC1CCC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218360181	ZKISIRJZWQKHRH-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)=C1CCCNC12CCCCC2	2220039049	IDHDWMDTCDOGDL-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
N[C@H](CC[C@H]1C[C@H]1C1CCCC1)C1CCCCC1	2220297410	WCIHIOHBTWRFBO-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@H]1CC[C@H]1C	2220557465	HIBLPZFPNMTGRL-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1C[C@@H]1CCOc1cc(C(C)C)ccc1C	2220957299	CYSCJEIOJSMGNI-HOCLYGCPSA-N	246.394	4.933	0	10	BJAE	
CC1=CC[C@](C)(CNC[C@@H]2CCC[C@@H](C)C2)CC1	2221644821	VIRIJEFVBYDMRQ-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CN([C@@H]1C=CCCC1)[C@H]1CCC[C@H](C(C)(C)C)C1	2222269078	VBYJCRJFYYARBS-XHSDSOJGSA-N	249.442	4.632	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CC1(C)CCCC1)N2	2224125364	PNFSSKHPGLCXSR-OAHLLOKOSA-N	243.394	4.692	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)c1ccc2occc2c1	2224148239	CKAPAMIYZZBFII-XHDPSFHLSA-N	245.366	4.505	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1ccc2occc2c1	2224163069	RZXVLIJVQWVXGA-HNNXBMFYSA-N	243.350	4.569	0	10	BJAE	
CCCCCC[C@](C)(N)c1csc(C)c1C	2242645287	TUMBMXWOWCSPNO-AWEZNQCLSA-N	239.428	4.509	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)[C@H]1CC12CCC2	2248264021	ZUMPWFYGTXOXSZ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(OCCCCC[C@H]2C[C@@H]2C)c1	2248808374	RGOPTZYTZZDXES-GJZGRUSLSA-N	232.367	4.590	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@]1(C)C=CCC1	2248856014	UUZKGKFIKISVIO-IIAWOOMASA-N	234.383	4.518	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC[C@@]1(N)CCC[C@@H](C)C1	2248877726	GZXIUGSYMTZNAB-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CNCCC1(C)CCCCC1	2250382369	DDSXHZNNGUBQTC-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](CC)CNc1cc(C)c(C)c(C)c1	2250392296	LRBHPRSRLUIDNE-HNNXBMFYSA-N	233.399	4.850	0	10	BJAE	
CCCC[C@@](O)(CC)CC1CC2(CC(C)C2)C1	2250448549	YPUGOHMCPIQASR-AUSYRVNMSA-N	238.415	4.534	0	10	BJAE	
CCN(CC[C@H](C)CCCC(C)C)C1CCC1	2250468801	HWIZFUUXIGBARL-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@@]1(C)CC1(C)C	2250489826	CHRZITKDIMMWTR-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NC[C@]23CCC[C@@H]2CC3)c(Cl)c1	2251162042	JBUZMVOTHVFGAF-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)CC1CC(CC(C)(C)C)C1	2251584448	FPYKYJXLVBVICK-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
CNc1ccc(-c2ccc3ccsc3c2)cc1	2253085706	FETHOJLKOPKDCE-UHFFFAOYSA-N	239.343	4.610	0	10	BJAE	
CC[C@H](Oc1cc(C(C)C)ccc1C)C(F)F	2253109577	FNPATMBCVKWLNB-LBPRGKRZSA-N	242.309	4.541	0	10	BJAE	
CCCC1(C[C@H](N)C[C@@H]2CCCCC23CC3)CC1	2253822725	SUPGWISUJRHTPQ-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@H]2C[C@H]2C2CC2)C1	2253920779	UZLANRGHTLUSQL-LGWLGOQQSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H]1CCCNC12CCCCC2	2254967075	DKQTWFJTHKVPST-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@@H]1C=CCCC1	2255092606	AIWCCJFAUHFRPN-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@H]1CCCC12CC2	2255228096	NCLXMHCXJBRITL-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H]2CCCC23CC3)C(=O)C1	2255269312	MBPTVDCPJMGUER-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)CC[C@@H]1CCCC12CC2	2255285423	XBWMOHRFZMJNKB-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@H](NC)[C@@H](CC)CCC)cc1	2259444013	XMBBPOKIHISMRI-DOTOQJQBSA-N	247.426	4.726	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccc(C2CCC2)cc1	2259447375	MLNNJIVCNVPOQY-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CC1CC2(C1)CC([C@@H](N)CCCCCC1CC1)C2	2259584872	APORIFLPUREYJY-LYOOIAODSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CCN(C)C[C@]12CCCC[C@@H]1CC2	2260570364	PFUPBXFGLDADEK-IAGOWNOFSA-N	249.442	4.635	0	10	BJAE	
N[C@H](CC[C@]12CCC[C@@H]1CC2)CC1CCCCC1	2260611777	WFJVPWYATQXWEK-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@]23CCCC[C@H]2CC3)C[C@H]1C	2260646542	MJFLUKYRNUQABU-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@](C)(N)c1cccc(C2CCCC2)c1	2260716742	PRZSTFVXXZKVLF-KRWDZBQOSA-N	245.410	4.564	0	10	BJAE	
CC(C)(C)CC1CC(CNc2cccc(F)c2)C1	2261194601	RFNGUMMUHRRXJR-UHFFFAOYSA-N	249.373	4.700	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CCC(CN)CC2)C1	2261304180	IFTALFCZYJOCDJ-UHFFFAOYSA-N	249.442	4.524	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H]1CCNc2ccc(F)cc21	2261338844	MKHHKCCBRONAKK-OLZOCXBDSA-N	249.373	4.797	0	10	BJAE	
CC[C@@H](CC(F)F)C[C@@](C)(N)CCCC(C)C	2300504835	FVFRDXYSOICBQQ-JSGCOSHPSA-N	249.389	4.602	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)C1CC(C)C1	2300676824	SMTVQVGWLKGXNZ-BCLQGDPASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCCC(CC)CC)C1CC1	2300688259	LPDLFHBEGINISQ-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@@]1(C)CC1(C)C	2300688626	OYZJYUAYVNQCAA-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(CC=C(C)CC)CCC1(C)C	2300865958	UJBPOOYHFYJIPM-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H]1CCCC[C@H]1CC1CCCCCC1	2301245035	RPSLXLBWTLEXFR-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
c1sc(C2CCCCCC2)nc1CC1CCC1	2302261953	GYCMAGNVEGUVTG-UHFFFAOYSA-N	249.423	4.924	0	10	BJAE	
CC[C@](O)(CCCC1=CCCCC1)CC1CC1	2302362085	VEXMNTONZHXBCX-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCC[C@@H]2C[C@H]21	2302824218	HHYPPIBRRJXWCD-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1CC[C@H]1C(C)(C)C	2303505822	KWFAHTDXAFWNFX-UKRRQHHQSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@H](CCC2(O)CCCCC2)CC1	2303585327	WZAAQMJWEDLFDL-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CC(C)NCC[C@@H](C)CC[C@@H]1CCC(C)(C)C1	2304408755	BJZIZJOSZDJGER-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)CCC2(C)CC2)C1	2304438790	FGMUOHHYICBHFK-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1CCC(CC)CC1	2307832088	QGNOPRHQYGEMBA-GRAKBVBRSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@]12CCCC[C@@H]1CC2	2307897569	CIAGTOKVSDMPMR-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCCCc1ccc(N[C@H]2CC[C@@H]3CC[C@@H]32)cc1	2308174941	CFHKPQIQYOZMMW-XIRDDKMYSA-N	243.394	4.630	0	10	BJAE	
CC(C)CC1(C(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CCCC1	2309135089	YKEXSDZKRXKFNU-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC=CCCC1)[C@@H]1C[C@@H]1C	2309815428	ZCLBQTAMTLBGFX-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C[C@@H]1C[C@H]1CC	2310970830	KLZJVORAAUSOSG-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](N)C[C@@H]1CCCCC12CC2	2312661574	QVDLFQNXKDCAAE-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@]23CCCC[C@@H]2CC3)[C@H](C)C1	2313346283	JJVKKTOQEVXKKF-GHYKFQNRSA-N	248.410	4.598	0	10	BJAE	
COc1ccc(N[C@@H](C)CCCC(C)C)c(C)c1	2313564715	XXXXOLKHGCGEAA-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
CCc1cc([C@@](C)(O)CCC(C)(C)C)ccc1C	2314644001	LSCVUQKDMLHRSX-KRWDZBQOSA-N	248.410	4.591	0	10	BJAE	
CCc1cc(C(=O)C(C(C)C)C(C)C)ccc1C	2314696957	JPKGSISPPGCQEV-UHFFFAOYSA-N	246.394	4.668	0	10	BJAE	
CC[C@H]1CCC[C@H](C(N)(CC2CC2)CC2CC2)C1	2315440546	URVIIVNVJDYERY-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@@H](C)c1ccccc1	2315912158	YAPONBLIYHEDRL-WBVHZDCISA-N	248.410	4.758	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1ccc(C2CC2)cc1	2316234578	AYKSEVOHVNSAEM-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@]2(C)C[C@H]12)CCCC(C)C	2316500011	URGJEMFYYUDYRS-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1cc(C)cc(C)c1	2316505257	YRBBMXQBOMEOKE-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CC[C@H](C)c2ccccc21	2316533320	YBZUQUUVKGVWPW-WMLDXEAASA-N	244.378	4.518	0	10	BJAE	
CNC[C@@]1(CC2CCCCCC2)CCC12CCC2	2316923364	MIHJLZOIZLYKAO-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCc1occ(C)c1C(=O)CC1CCCCCC1	2317004725	PZOILZDTSOGVGD-UHFFFAOYSA-N	248.366	4.694	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@H](C)CC1CC1	2317962056	JIPWSMCDESWTJE-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C)c1ccc(C)c(CCCC(C)C)c1	2318391781	GERKNILDDDOUNI-OAHLLOKOSA-N	247.426	4.644	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCCC[C@@H]3C[C@@H]32)CC1	2319454196	OPDGAPPJXDTUSA-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C(=O)[C@H]2CC[C@H]2C(C)(C)C)c1C	2320213428	MDHFRRXYUGNFMN-LSDHHAIUSA-N	244.378	4.558	0	10	BJAE	
CC1=C(C)[C@H](NC[C@H]2CC[C@@H]2C(C)(C)C)CCC1	2320248167	FGBZBPBQVIOWCD-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
O=C(C1CCCCCCC1)[C@H](CC1CC1)C1CC1	2320695437	LGRHFIVFHADEEF-MRXNPFEDSA-N	248.410	4.742	0	10	BJAE	
CCCCCCc1ccc([C@@H](N)C2CCC2)cc1	2327897277	ZPCPWCVPQRGEDV-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCCCCCc1ccc([C@@H](C)CNCC)cc1	2327903343	PFRSPGMCNKYAIN-HNNXBMFYSA-N	247.426	4.522	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1cccc(C2CC2)c1	2328209194	HVGBHPBHXJGCHT-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CC1CCC(Nc2ccc(C(C)C)cc2)CC1	19772326	DKCTZCAANXXHNE-UHFFFAOYSA-N	231.383	4.801	0	10	BJAE	
CCc1cccc(N[C@@H](CC)C[C@@H](C)CC)c1	21023333	AGZSBZXTWPFYBB-ZFWWWQNUSA-N	233.399	4.876	0	10	BJAE	
C[C@H]1CCCC[C@H]1Nc1cccc2ccccc12	21515971	MKIQMUZOJBKAJP-XJKSGUPXSA-N	239.362	4.830	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C)C1CCCCC1	35546596	PINILTXUDXBTLP-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H](C)C(C)C)cc1	36953559	RWWZEMNRAAFGLQ-QWHCGFSZSA-N	219.372	4.657	0	10	BJAE	
CCC(CC)[C@@H](NC1CCCC1)c1ccccc1	37107678	QVOUDNXWSONUIH-QGZVFWFLSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C)c1cc(C)ccc1C	37313314	ABCWVTCRFKMFRY-HUUCEWRRSA-N	233.399	4.533	0	10	BJAE	
CC(C)C[C@]1(O)CCCC[C@@H]1C1CCCCC1	37375727	JLYGOWCBQAJKGM-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)c1cccc2nc(C3CCCC3)oc12	62533928	XDMZTGBHRFOOIV-UHFFFAOYSA-N	243.350	4.783	0	10	BJAE	
CCCC[C@@H](CC)Nc1cccc2cccnc12	69370196	OSJIRAVAPAGTQU-CQSZACIVSA-N	242.366	4.616	0	10	BJAE	
CCCN[C@H](CCC[C@H](C)CCC)C(C)C	70747071	VOMRYDVEGXSNMW-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC(=O)c1cc(-c2cc(C)ccc2C)sc1C	77093816	ZPBODTZPUPXNOA-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](CCC(C)(C)C)C1	80415734	UZVUZNDBEOFOMF-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@H]1Nc1ccc(Cl)c(Cl)c1	83389677	HGGFKMLOUSBXBL-QPUJVOFHSA-N	244.165	4.594	0	10	BJAE	
CCCCC[C@]1(O)CCC[C@H](CCC)CC1	83520673	OJRGJQCREZQQBT-GJZGRUSLSA-N	226.404	4.678	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCCC(C)(C)CC1	86893983	SBMIKYVQGZTLHX-CQSZACIVSA-N	249.373	4.905	0	10	BJAE	
CCCCCC[C@H](NC)C1CCC(CC)CC1	87937386	DWZYOEMYPACSJQ-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC(C(=O)C2CCCCCC2)C[C@@H](C)C1	87946359	JKGRDBNAWJCIIJ-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)C[C@H](C(C)(C)C)CN2	103926944	YEBFYNYLVYFDAK-WFASDCNBSA-N	245.410	4.830	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)c1ccccc1C	109725485	ALKIMHSGTSTYQK-WMLDXEAASA-N	247.426	4.862	0	10	BJAE	
CCCC[C@](CC)(CNCCC)c1ccccc1	110209732	WIMSFFXQTLRYAP-QGZVFWFLSA-N	247.426	4.524	0	10	BJAE	
CCCCC[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1O	110463814	HQGFRDWBCZPMLW-ULQDDVLXSA-N	246.394	4.512	0	10	BJAE	
CCCC[C@H](CC)Cn1ccc2cc(F)ccc21	111684217	WTXNHLIRMLNPDN-ZDUSSCGKSA-N	247.357	4.997	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@@H]1CCC[C@@H](C)CC1	148414244	XGCXITSNLIZRRX-FVQBIDKESA-N	245.410	4.614	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)c1cc(C)ccc1C	162224244	FJBGGYLSVNMFIB-CXAGYDPISA-N	247.426	4.780	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1ccccc1C(C)(C)C	162271657	LXTATOZYGVLCHT-XJKSGUPXSA-N	247.426	4.810	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)c1ccc(C)s1	164302528	FOZZSRSLXIGWSB-WCQYABFASA-N	239.428	4.533	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)C[C@@H]1CCCC(C)C	165490269	HQVZVTSZQNKWSE-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
Cc1c(-c2ccccc2)cccc1C(C)(C)C	167596623	ZOMLMLNQHSRSQK-UHFFFAOYSA-N	224.347	4.960	0	10	BJAE	
CC[C@@H](C)C[C@H](O)c1c(C)c(C)c(C)c(C)c1C	167631141	CAIWJHGVSVDIJX-HWPZZCPQSA-N	248.410	4.698	0	10	BJAE	
CCC[C@H](C)n1sc2ccccc2c1=S	207081550	JRMBAUUDSSQCQO-VIFPVBQESA-N	237.393	4.793	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(N)CCC[C@@H](C)C1	216367249	JVDMVMOMILMLIT-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCC[C@@H](C)C1)c1ccccc1	216376039	INDTZGVJOJSOOG-DJIMGWMZSA-N	245.410	4.696	0	10	BJAE	
Clc1ccc(Cl)c(-c2ccsc2)c1	217506475	BVCVGGIKDACOHF-UHFFFAOYSA-N	229.131	4.722	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1CC[C@@H](C)[C@@H](C)C1	220577609	LVIXLNMEQWOZHB-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1ccc(C)c(Cl)c1	229616751	CYDMWZUAWJMSHG-RISCZKNCSA-N	237.774	4.639	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1ccc(C(C)(C)C)cc1	229668107	KJBZJKMHTRXSMJ-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
CC(C)(C)C[C@@H]1CNc2ccc(C(C)(C)C)cc21	232497936	NAMGDYLGWLLQRK-GFCCVEGCSA-N	245.410	4.929	0	10	BJAE	
CCC[C@@H](CC)Nc1ccc(C)c(Cl)c1	233289303	JMFXQAWTLYDLML-LLVKDONJSA-N	225.763	4.639	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2ccc3c(c2)CCCN3)C1	234084191	XSNCEBIWBIWLDK-UONOGXRCSA-N	243.394	4.729	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@@H]2CCCCC[C@@H]2C)C1	235389257	VHCFVOJGGFAYIZ-QSPRXWTASA-N	249.442	4.537	0	10	BJAE	
Cc1cc(Cl)ccc1[C@H](N)C1=CCCCCC1	235748153	UXHITEDKCROHNV-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
Cc1ccc2c(ccn2C2CCCCCC2)c1	301865269	PJNVQLVSVNAPJQ-UHFFFAOYSA-N	227.351	4.845	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H](C)C(C)(C)C	304248287	GJOXXXIRQSJHLY-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)CNc1cc(C)c(F)cc1Cl	304356823	LSWZDUSMDJGCLH-SECBINFHSA-N	243.753	4.636	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)C1=CCCCCC1	307984785	BMWOUABCOQURAS-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CCC1CCCC1	309656735	WAMCSMNQTCNCKL-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@@H](C)CC(C)C	309989233	GRFYOBOFEWMFPI-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](CC)c1cccc(C)c1	310216655	LRPOOCXAWXKMHX-CVEARBPZSA-N	233.399	4.614	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1CCC[C@H](C)C1	310471693	BNIVXHYAXDYLNJ-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
C/C=C\CCN[C@@H](CCCCC)c1ccccc1	310596142	HEPSHLJJGIQYLD-AATOQMJSSA-N	245.410	4.864	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@H]2CCC[C@@H](C)C2)c1	310784810	SMUONJJBVMTGAF-DOMZBBRYSA-N	244.378	4.703	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H]1CCC[C@@H](C)C1	310971720	RLNKLKNCYYRTCJ-JKIFEVAISA-N	246.394	4.670	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCCCCC(C)C)c1	383418016	YXJDYSMVAPTYMY-QGZVFWFLSA-N	247.426	4.910	0	10	BJAE	
CCCc1ccccc1-c1ccc(N)c(Cl)c1	384478131	WHRJPJQPZYGKGV-UHFFFAOYSA-N	245.753	4.542	0	10	BJAE	
CCCc1cccc([C@H](N)C(C(C)C)C(C)C)c1	385403273	NQLZOPLRUOSHNJ-KRWDZBQOSA-N	247.426	4.567	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@](O)(CC)C1CCCC1	387599972	VQYLVAXCKNHFNM-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)CCNc1ccc(OC(C)C)cc1C	394411171	PLLATMMMPRYPEI-CYBMUJFWSA-N	249.398	4.630	0	10	BJAE	
Cc1cccc([C@H](O)C2(C)CCCCCC2)c1C	394682277	YUDCYMDVGNQHCC-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CSc1cc2c(C(F)F)c(C)ccc2s1	396403620	INHFPFCSZGIESB-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@@H](Cn1ccc2c(Cl)cccc21)C1CCC1	398610425	FZYSLRQEFMIQRM-NSHDSACASA-N	247.769	4.731	0	10	BJAE	
C[C@@H](C[C@@H](N)CCCC1CCC1)CC(C)(C)C	688367548	GHPDGNXNWWJLIT-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
C[C@@](O)(CC1CCCCC1)C1=CCCCCC1	689720374	HUMADNLXMPSSPH-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@]1(O)CCCCC[C@H]1C(C)C	691129286	ULNKEXLAIJOLJB-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)C[C@H](C)CC(C)C	691183686	GRUYVZMHPSHUDG-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)CCC1CCCCC1	691185033	KHEHGTZYEJKJLF-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCc1ccc(NC[C@@H]2CC=CCC2)cc1Cl	691267150	XENYEEDTMCCEJZ-GFCCVEGCSA-N	249.785	4.671	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@@H](C)C1CCC1	692677136	IXDLLUMHFSCXTM-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C1CCCC(CN[C@@H]2CCC23CCCC3)CCC1	693794512	KPOSYDCHOWYCJN-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCCCC[C@@H](C)[C@@H](CC(C)C)NCC	695072719	ZOHVHHXUDRXVGF-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccc(NC2CCC3(CC2)CC3)cc1	695964576	QLODBGIBPVUVEQ-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
Fc1cccc(NC2CCC(C3CCC3)CC2)c1	696059432	BXXFKSXVMMODJD-UHFFFAOYSA-N	247.357	4.597	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](CCC(C)(C)CC)NC	696560409	GWWPZRWFBQPCSS-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
Cc1c(F)cccc1NC1C(C)(C)CCC1(C)C	699623131	XFIKBRQHAFJODU-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@H]1C(C)(C)CC	701136508	JBMNVGLMGIOSFK-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCC)C(C)(C)CC	701172835	WQMLBWXESXUNTC-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1C[C@H]1C(C)(C)C	704170287	KVKJFLZDUFZBDF-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
FC1(CCNc2ccc3ccccc3c2)CCC1	705353308	MDOZSFWRWVGAJX-UHFFFAOYSA-N	243.325	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H](C)C(C)(C)CC	710025420	OUFAJBAOLVPJKD-RBSFLKMASA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)CNc1csc(C)c1	710798015	JLTAYICIFWVXBN-GFCCVEGCSA-N	225.401	4.685	0	10	BJAE	
CCCN[C@H](C[C@H](CC)C(C)(C)C)[C@@H](C)CC	711185471	SKRPENJDGROBQB-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C[C@@H](CCC=C(C)C)NC)C(C)(C)C	711200875	VWRNYISQQSYYDK-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CCCNCC1(CC(C)(C)C)CCC(C)CC1	713300348	YUSLPIYFYSHVEO-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccccc1NCC[C@H]1C[C@H]1C1CC1	714866942	RSCVKBJBBVZQJK-HOCLYGCPSA-N	243.394	4.658	0	10	BJAE	
CCN[C@H]1CC(C)(C)CC[C@@H]1CCCC(C)C	717531543	JNMSQOLPOSTZLN-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@H]1CC(CC)CC	717535719	VKNBQKGZWDMWSF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CCC(C)(C)CC1=O	719176014	BTAROZMMZFIKTD-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CC[C@@H]1C[C@H]1CC1(CNC2CC2)CCCCCC1	723061075	RHMNBRVKLNYVBN-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Sc1ccc(F)cc1F	1188500669	HNRYQOVIDPTWMO-CABZTGNLSA-N	242.334	4.636	0	10	BJAE	
c1cc(SCCC2CCCCCC2)ccn1	1307310023	GHENSCSHZNLATD-UHFFFAOYSA-N	235.396	4.534	0	10	BJAE	
CCCCC1(NCC[C@H]2CCC[C@H](C)C2)CC1	1308141927	FFQXWPUYHGYVOB-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)CCNCC(CC)(CC)CC	1462549435	UVBXYPYGMCWOGL-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CCCS[C@H](C)c1cccc(C(F)(F)F)c1	1656758076	AAFBIFDPQIHFLM-SECBINFHSA-N	248.313	4.910	0	10	BJAE	
C/C=C/CCCc1cc(C(F)F)cs1	1885375665	FQGBZPXFXFZXIB-NSCUHMNNSA-N	216.296	4.585	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC(CC)CC)NC	1900711659	FYQCCGYXGRLGLW-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)COc1c(C)cccc1C	1905292349	IWCBCRFMMSIBNW-AWEZNQCLSA-N	220.356	4.509	0	10	BJAE	
CCCC1CCC(O)(C[C@@H]2C[C@H]2CCC)CC1	1910707047	PVSXEYKIZDUFIO-FYRZTWFESA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@H]1CCCCCCCCC1=O)C1CC1	1913384025	ISFBUDMWRPXXOK-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](N[C@H]1CCC2(CCCCC2)C1)C(C)C	1915854103	FOCBAPOFTIWZCU-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@H](C)CC(C)C	1919947454	JZKDZBVTLFOBLX-RRFJBIMHSA-N	228.420	4.636	0	10	BJAE	
CCCCCC[C@](C)(N)c1cscc1Cl	1920184384	DLHIQDTXZAYKAN-LBPRGKRZSA-N	245.819	4.546	0	10	BJAE	
CCC1(C[C@@H](NC)[C@@H]2CCCC23CCC3)CCC1	1921595650	QKSIDNNMBUXXNW-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@@H](Cc2cccc3ncccc23)CCCC1	1925829212	DOCBYHZKYATJFT-CQSZACIVSA-N	237.346	4.524	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C[C@@H]2C=CCCCC2)C1	1925944587	FJPVUDAWMAAEOB-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)CCCC1(C)CC1)C(C)(C)C	1935939792	LDHYIMCPDUSPTG-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC1(CC[C@H](O)c2cccc3ccsc23)CC1	1940793657	WEQJCNDTNPPEIE-ZDUSSCGKSA-N	246.375	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC[C@H]1CC1(C)C)NC	1940880006	ZUXXCKBEYPRUBX-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)C(C)C	1941263826	FSQPBLKWWLSNAR-YJNKXOJESA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](N)CCCC(C)(C)C	1941266960	LYDKOSCQALFMND-CABCVRRESA-N	241.463	4.848	0	10	BJAE	
CCCCCC[C@H](N)c1ccccc1C1CC1	1941526970	AOODILCLTGZVCB-INIZCTEOSA-N	231.383	4.534	0	10	BJAE	
CCCC1([C@H](O)CCCCCC2CC2)CCC1	1941572463	AQHZVTODDQNELU-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCC(CC)CNc1ccccc1C1(C)CC1	1944595248	AMXZSBXDAFFRDM-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCC[C@H]1C)CC(C)C	1944848788	HPTXXAXNZCASBK-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](CNC2(C)CCCCCC2)C1	1945604773	FLTHHLCIKQNVGJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CCC1=CCCCC1	1949041867	UFUUQHIIUXJCIX-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2(C)CCCC2)CC1	1950930195	NFIARUJWOJIMLU-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@@H]2C=CCCCC2)C1	1957986647	MCRBBFXAOGNDDR-RBSFLKMASA-N	206.373	4.949	0	10	BJAE	
C1CCCC(NC2C[C@@H]3CCCCC[C@H]3C2)CC1	1965858866	APSPWSHVCSHASN-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CC[C@@H]1CC(C)C	1968237853	PCZLVIRLVKOUGN-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCCC3(CCC3)C2)[C@H](C)C1	1969582793	OEVWJQSHSFZLNO-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC1(CCNc2ccccc2C2CCC2)CC1	1973430100	NEYYZYWROMZLIV-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCN[C@H](C(C)(C)CC)C(CC)(CC)CC	1978564018	PKVZSNDSOSZFEN-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)CC(C)(CC)C1	1984403614	PGLZUPBMYKGHKV-WLYUNCDWSA-N	226.404	4.534	0	10	BJAE	
C/C=C/CCC[C@@H](O)[C@H](CCC)CC(C)C	1984608423	VLYFZIUZERMUSB-IPKOWEFYSA-N	226.404	4.556	0	10	BJAE	
CC[C@](CC=CCl)(CNC(C)(C)C)C(C)C	1986421477	KSUAWLMSLDWBBZ-AWEZNQCLSA-N	245.838	4.570	0	10	BJAE	
CCCCCC[C@H](N)CC(C(C)C)C(C)C	1988238696	OAYLMPWFMPKPKK-AWEZNQCLSA-N	227.436	4.602	0	10	BJAE	
CCCCC[C@H](CC)Nc1cccnc1Cl	1990099459	VXBOVDGBAXDDPM-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCC)[C@@H](C)CC	1995264100	UMAMROYWRZRHRY-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CN(C)[C@H]1CCCC(C)(C)C1)C(C)(C)C	1995835667	OCCASUUFUWTQJP-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CC1([C@](C)(N)C2=CCCCCC2)CCCCC1	1995976481	WMFHTBKSFBMXMZ-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
C[C@@H](CC(=O)CC[C@@H](C)C(F)F)CC(C)(C)C	1996106315	MMKUIWQBGBOJCU-WDEREUQCSA-N	248.357	4.699	0	10	BJAE	
C[C@@H]1CC[C@@H](CCC(=O)CC2CCCCC2)C1	1996238394	QTULFNNOUQDEDT-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC[C@@](O)(C1CCCCC1)[C@@H]1CCC(C)(C)C1	1996553872	QRUGXGKGJVUFOP-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(N)CC(C(C)(C)C)C1	1998236701	NABSKFARNJXNSM-VEAWUBTESA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)[C@H]1CCCC(C)(C)C1	2000044346	IIEXLXIJSOILQO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H]([C@H](C)CC(C)C)C1(C)CCCCCC1	2000318895	GEZFGDZDTSZBGV-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CCC1CCCCC1)C(=O)O	2000483243	LCYFCIYXONFPTH-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CCCC[C@@](C)(CNC)[C@H]1CCCC(C)(C)C1	2000519114	VKCNVDIQHWCAED-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CN(CC)[C@@H]1CCCC(C)(C)C1	2000907483	OYJGSYYCRDRZRR-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CCCCCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2001495269	TYJQMJGJBDWKJG-RRFJBIMHSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H]1CCCCCCC[C@H]1C[C@@H](C)CC	2003118103	QJWBAQDMLDASKY-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC(C)C)[C@]1(C)C=CCCC1	2003322576	RDDBBKBPNXCZJV-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)CNCCCC1CCCC1	2004711149	GXQFTVBPSXYKMU-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC1(CC)CC(NCCC2(C)CCCC2)C1	2009300525	YBQJZZSEFZCTLO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@@H](CC2(C)CCCC2)[C@H](N)CC1	2009404578	OYCQFDZHWCOGHH-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@H](O)c1ccccc1C(C)C	2009587467	FMMHDVWMZVQBKN-APHBUQMISA-N	232.367	4.590	0	10	BJAE	
C/C=C/CCC[C@H](CC1CC(C)(C)C1)NCC	2009616904	NHKQBGQWOVHQRB-KEDPEKRHSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](N)c1cc2ccccc2s1	2009619109	IUMJUXBOWGEHCJ-CYBMUJFWSA-N	245.391	4.648	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC[C@]12CCC[C@H]1C2	2010983113	SJVCOCYBPGQJCG-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC[C@]12CCC[C@@H]1C2)NCCC	2011002511	SSSYMGZVNOTBDN-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1CC(=C2CCC2)C1	2011103401	OWEAQCXIVDZWTR-LBPRGKRZSA-N	234.383	4.518	0	10	BJAE	
CCC1(C)CCC(O)(CCC[C@H]2C[C@H]2C)CC1	2011561971	ZADNZJDZHHWRER-QVOMUQBLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1C[C@@H]2CC[C@H]2C1	2015191605	LOBCZAACVILTGB-KKUMJFAQSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1C[C@H]2CC[C@@H]2C1	2015204458	WZCAXLUDBJYUDQ-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C[C@H]1CCCCCC[C@H]1O)C(C)C	2015275684	RVPYMJRYCILPLM-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)C[C@H](C(F)F)C(C)(C)C	2015380988	XBFCFZPSRJACAX-CMPLNLGQSA-N	248.357	4.555	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@]2(C)C[C@H]2C)CC1	2016300207	ALDPMGVNWRFECV-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CC[C@H]1C1CCC1	2017041777	DDTCJEPOUYULBV-JYJNAYRXSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1CC[C@H](C)CC1	2017650759	LBXMIXMWDUTNBO-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(O)[C@@H](C)CC)CC1	2017651378	SNPZOKQMDWWDFE-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCCCC(=O)C2)CC1	2017776722	SRRCOKHNPALPMP-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@](O)(CC)CC1[C@H]2CCCC[C@H]12	2018129168	IDLIIVSUBKCQQW-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CC(=O)CCC2CCCCC2)CC1	2018956232	KJQBVTNNJPVTMV-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)CC1(CC)CC1	2018977695	XRNYXDPFOFXVKI-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)CC1(CC)CC1	2019007700	FCECJDFACZARSE-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC=C(CC)[C@@](C)(N)C1CCC(C(C)C)CC1	2020922790	YANKYFDQQBJDAI-AVVWSFFYSA-N	237.431	4.523	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C(C)(C)C(C)(C)C	2020969579	PVHLUCXXLZDYJE-AWEZNQCLSA-N	239.447	4.783	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(C[C@H]2CCCC(C)(C)C2)C1	2024095015	OHSQYXDOXVCOKD-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1CCC[C@H]1C	2026081657	XJIRJHFRKQTSAK-RRFJBIMHSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC1(C2CCCCC2)CC1	2027372584	FYGIXOGHZRDDQX-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)c1	2027793711	ORQBPDOISJGQKZ-JJAZEVLHSA-N	245.410	4.786	0	10	BJAE	
CCCc1cccc([C@@H](NC)[C@@H](CC)C(C)C)c1	2028260098	CBJMDPNWDNHANP-DLBZAZTESA-N	247.426	4.582	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1cccc(C2(C)CC2)c1	2028552042	LSKXVBXBUYDNRT-HNNXBMFYSA-N	245.410	4.564	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C1(C)CC(C)C1	2029106589	BWXKMRBFGWBTFJ-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc([C@](C)(N)[C@@H](C)CCC(C)C)cc1C	2029824740	NFYUNXNUQCPBHV-DOTOQJQBSA-N	247.426	4.550	0	10	BJAE	
C[C@H]1CCC[C@H]1CNc1ccc(C2CCC2)cc1	2032514404	MMFUWYBQSAGWRB-BBRMVZONSA-N	243.394	4.802	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCC(C)(C)C1)c1ccccc1	2033377463	AIESXXKBAHRMNZ-HIFRSBDPSA-N	244.378	4.576	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CC[C@H]3CCCC[C@H]32)C1	2034256377	IMZNCLLVLSJTRU-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1C1(O)CCCCCCC1	2035549140	LPWSDVMEEJIYJE-UHFFFAOYSA-N	246.394	4.571	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)C(C)(C)C1CCCC1	2035601184	OJAROHBEWHSSFW-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC(C)NC[C@@]1(CC2CCCC2)CC12CCCC2	2036101801	VBAQTGQIASYYKG-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](N)[C@H](c1ccccc1)C(C)C	2037215639	PJPCSZFAMDSQIB-HOTGVXAUSA-N	247.426	4.580	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](N)[C@H]1CCC2(CCCC2)C1	2037684837	CANSOFFZIVHEQC-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CC1CC2(CCC2)C1	2038079569	XCGDOUDMRFLTRS-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@H](NC)c2ccccc2)CC1	2038137296	BOLAJJSXFVZUGN-VMBOVVBDSA-N	245.410	4.554	0	10	BJAE	
CCC1(NC[C@H]2CC23CCCCC3)CCCCC1	2039092400	PKJUYQHDZXXSQM-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C1CC1)C1CC=CC1	2042016012	GCMORQJVBNUORB-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CCC=CCCC2)c(C)o1	2045310170	MZKPGNRSKIKUDA-CQSZACIVSA-N	246.350	4.606	0	10	BJAE	
C[C@H]1C[C@H](C)N(C[C@@H]2CCC=CCCC2)[C@H](C)C1	2045312749	QHFHWCIUTMMLKZ-WCXIOVBPSA-N	249.442	4.632	0	10	BJAE	
CCC(CC)(CNC1CC1)CC1CCC=CCC1	2045982282	RDYOPEVOZBSWIG-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCCC1CC1)C[C@H]1CC12CCCCC2	2047005836	WIMVXVZEVYSTBL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@]1(C[C@H]2[C@H]3CCCCC[C@H]32)CCCCCN1	2048451038	IQYASKCYCBHRRN-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2[C@H]3CCCCC[C@H]32)c1	2048477833	ABAVVRYYGWOCSE-MUJYYYPQSA-N	244.378	4.509	0	10	BJAE	
C[C@H]1C[C@](N)(CC2CCC3(CC2)CC3)CC[C@H]1C	2049852592	CGBRTUFWWGCRNZ-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@@H]2CCC3(CC3)C2)C1	2049858874	PXLNYOJMOZIJKA-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@H]1C=CCCCC1)c1cccc(F)c1	2050495750	XNFKXACJDPCJSG-ZDUSSCGKSA-N	246.325	4.535	0	10	BJAE	
O[C@H](C1=CCCCCCC1)[C@@H]1CCCC12CCC2	2053363849	AMLYHDDTBQAXOY-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2CCCC[C@H]2F)cc1	2055159479	MBVHJECSNIWWCP-CABCVRRESA-N	249.373	4.677	0	10	BJAE	
CC1=C[C@H](N[C@H]2CCC[C@H](C(C)(C)C)CC2)CC1	2055847313	ZVFCCILCDHVWNK-HRCADAONSA-N	249.442	4.680	0	10	BJAE	
CC(C)CCCCCO[C@@H](C)c1ccccc1N	2056102137	HMUABCHPPXPNKV-AWEZNQCLSA-N	249.398	4.563	0	10	BJAE	
Cc1ccc(F)c(C(=O)C2(C)CCC(C)CC2)c1	2056539349	JKGSQQUUVNCLTK-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
NCC1(CC2CC(C3CC3)C2)CCCCCCC1	2056651709	UXPBSELUXSZJTM-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C=C2CCCCC2)c(C)c1	2056872431	CPJZDGINPJJUBD-INIZCTEOSA-N	243.394	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C2(C3CC3)CCCC2)C1	2057604652	UOODOUXPLXATEF-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@]2(CCN2C2CCCCCC2)C1	2058153856	AEGYWIXGXXBRPE-KRWDZBQOSA-N	249.442	4.754	0	10	BJAE	
CCC1(CC)CC(N)(CC2CCC3(CC2)CC3)C1	2058828036	OOHVDQGAKUURCL-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CCC1(C)CC1)CNC1CC1	2059181948	XTBXSQRZJREFDD-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(C(F)(F)F)c(Cl)cc1Cl	2060075289	JARWAPCSCRKIDN-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
CCN[C@@H](C1=CCC(C)(C)CC1)C1CC(CC)C1	2061140486	NQMZKUCBVLWTJL-BCLQGDPASA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)CCC2CCCC2)CC1	2061150424	KYLYVHSBRYWXDN-WBVHZDCISA-N	249.442	4.667	0	10	BJAE	
CC(C)c1ccc(NCC[C@@]23CCC[C@H]2C3)cc1	2061573058	VMVFCJPUEVNAKH-DOTOQJQBSA-N	243.394	4.802	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C1CC(=C2CCC2)C1	2061733989	IIQCQIAVRLKWBW-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCC1CC(=C2CC2)C1)CC1CCCCC1	2061737205	OTVWOXUTPUGZFO-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1c(C)cc(C)cc1C	2061878170	DWUOSLDXQYECDJ-INIZCTEOSA-N	247.426	4.828	0	10	BJAE	
Cc1cc(C)c(C(=O)CCC[C@H]2C[C@@H]2C)c(C)c1	2062637298	ILRSUNVEFKHQGC-WFASDCNBSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CC2(CC(C[C@](C)(N)C3CCCC3)C2)C1	2063204830	UMVNIEKPOOQKHP-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](N[C@@H]2CCCCC23CCC3)C1	2066626506	BUCKEBFKXAKNEB-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@@H](C)C12CCC(CC1)C2)C1(C)CCCC1	2067509637	SBVNYMJIUUHAOI-JPQBHMHHSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C=C1CCN[C@@H]1C(C)(C)C)C1CCCCC1	2067825730	CBPHTXDNLGFGIQ-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(=O)CC(C(C)C)C(C)C)cc1C	2068976036	GTJONEZADCEAHZ-UHFFFAOYSA-N	246.394	4.804	0	10	BJAE	
CCCC1(C[C@H](NC)[C@]2(C)CC=CCC2)CCC1	2069335648	QQECQJSLIFHSNE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C1(CC2CCC2)CC1	2069563902	MELNRVNKEFSHTI-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@@H]1CCC=CCCC1	2070306146	YBEIBLZCOFBZNF-IAGOWNOFSA-N	249.442	4.977	0	10	BJAE	
CC1([C@H](N)C[C@]23CCC[C@@H]2C3)CCCCCCC1	2070964221	UKHWJKHFPAMVCH-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCC1([C@H](C[C@@]23CCCC[C@H]2C3)NCC)CC1	2074026035	RQIQFXDXTQKBCE-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@]12CCCC[C@@H]1C2	2074033168	JOBSNOVAJCPGMD-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@H]1CC12CCCCC2	2074633215	AASWXZNGFSAQRX-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)c1occc1C	2074645927	HHIRFYKEKYUMGM-CQSZACIVSA-N	249.398	4.599	0	10	BJAE	
CC(C)(C)C1CCC(N2CCCCC23CC3)CC1	2075230297	YGXSSVGTTKJKMV-UHFFFAOYSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H](Nc1ccccc1C1CCC1)C1CC1	2077264133	KLWKDLXAEIUEHM-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CC(C)=C(C)CCNCC[C@H]1CC2CCC1CC2	2077395137	GQHUEVRRTYTNON-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
CCCCCc1ccc(C(=O)C2(CCC)CC2)o1	2077977562	BYIPJWCSWCRLIC-UHFFFAOYSA-N	248.366	4.775	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H]2C[C@@H]2C(C)C)cc1	2079486890	PEKZHAYFCHCLDL-CVEARBPZSA-N	244.378	4.504	0	10	BJAE	
CC=CCCCC(=O)[C@H]1C[C@@H]1C1CCCCCC1	2079492581	RQHVRMZMHLDKHQ-CVEARBPZSA-N	248.410	4.908	0	10	BJAE	
N[C@H](CC1CCCC1)C[C@H]1C[C@H]1C1CCCCC1	2079631409	BDFRDWRFOAZHBR-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
C1CCCC([C@@H]2C[C@H]2CC[C@H]2CCCCN2)CC1	2079695940	NYCPNIRKXOVHKX-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1C[C@H]1c1ccccc1	2079860112	CSDJFEAEFYADPN-ZBFHGGJFSA-N	244.378	4.576	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@H]1C[C@@H]1C(C)(C)C	2079864934	NKWQCXYGVHYNHV-KGLIPLIRSA-N	244.378	4.558	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CC1C2(CCC2)C12CCC2	2083563659	FMIWNTYLTAPGBZ-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@@H]1CC(C)(C)C1(C)C	2084359172	SCIDBSQLJRZFBN-DZGCQCFKSA-N	249.442	4.680	0	10	BJAE	
CC[C@H](N[C@@H]1CC(C)(C)C1(C)C)c1ccccc1	2084371833	RNLAPKKGGJLFOA-LSDHHAIUSA-N	245.410	4.552	0	10	BJAE	
CN([C@H]1CC(C)(C)C1(C)C)[C@H]1C=CCCCCC1	2084430474	URVZUSDFBIEPPZ-GJZGRUSLSA-N	249.442	4.632	0	10	BJAE	
Cc1cc(CC=Cc2ccccc2)sc1C	2210663053	WZJBAINGBIMAQR-UHFFFAOYSA-N	228.360	4.621	0	10	BJAE	
Cc1cc(Cl)cc(O[C@H]2CCC(C)(C)C2)c1	2212534302	YLACAKMFTFIRGF-LBPRGKRZSA-N	238.758	4.606	0	10	BJAE	
CCCC[C@H](O)CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213300202	MDCIHYQXZQMXDC-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)CCCCC2CC2)C1	2214576115	ANLKUHBCAVTNPX-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCCCC1CC1)CCC1CCC1	2214577777	HMJJARBLHZYLFH-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@](C)(O)C1(C)CCCCC1	2215238532	WVMQSDTVCXHAHH-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(N)(CC[C@@H]2C[C@H]2CC)CC1	2215259177	WDYYWCDDVHTYJF-LVDPKSTMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@@]1(C)CC=C(C)CC1	2215811870	FXTQJTYWVADCBZ-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@]1(CN[C@H](C)CC)CCC1(C)C	2217140880	RRQJJIKUQSNHDS-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)[C@@H]1CCC[C@H]1C	2217157319	RVXUTVAFCPTLBZ-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CC(N[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218340900	RSMOBGMRIFSCQY-ZVTHOSHGSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1C[C@H]2CC[C@H]1C2	2218717899	IQXWTSTYQJXPDD-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CC[C@H]2CCC[C@H]21	2218719844	CHDCBSDQWDEGPY-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NC1CCC(C2CC2)CC1)C1(C)CCCC1	2218890341	BVLFROPATNEQLC-IUDNXUCKSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@]1(C)CC=CCC1	2220043731	BHQLYADHDPPUJU-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)c1cc(C)oc1C	2220044369	IBUJGAMGJAOMBB-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1cccc(C2CCC2)c1	2220931975	HQMCOVHBWFKGBQ-CJNGLKHVSA-N	243.394	4.802	0	10	BJAE	
CC1(C(=O)CCC[C@H]2CC2(C)C)CC2(CCC2)C1	2220998218	CEVHVYPOTPZSJK-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2(C)CC3(CCC3)C2)CC1	2221036304	BIOOSSBWTKDKQK-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](N[C@@H]2CCCC23CC3)C1	2222254205	AWTZSCXSLKCKQS-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
NC1CCC(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	2222933434	LQUBEOODECURCE-MXGMQVIZSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)c1ccc2occc2c1	2224158196	PLZISVMWDIMJCG-CQSZACIVSA-N	245.366	4.505	0	10	BJAE	
CSCc1ccc(CC2=CCCCC2)cc1	2243235802	DJPSUEYFFXWNIY-UHFFFAOYSA-N	232.392	4.593	0	10	BJAE	
CC1CC(C)(C[C@@]2(N)CCCC(C)(C)CC2)C1	2246526672	LPGUKZCUETWGRT-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](O)C[C@H]1CCCCC12CC2	2246614308	JPQHMVYZXIALJZ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCN(C)C[C@H]1CCC1(C)C	2247345099	IJMIDPWULNMWET-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CC[C@H]1CC1(N)CCCCCCCC1	2247441221	FXNACEZXWLJKRX-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
N[C@@H](C=C1CCCCC1)c1csc(C2CC2)c1	2248044835	OZRQDOVNBVJYRK-AWEZNQCLSA-N	247.407	4.516	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](O)CCC1CCC1	2248816305	RXAGLGSXIUIBIV-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CCCCC[C@@H]1C[C@@H]1C	2248868420	BCVKURBKGJSGPV-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)CNCCCCC[C@@H]1C[C@H]1C	2248880141	QNKMBVCUUKQFHL-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)c2ccc(C3CCC3)s2)C1	2250280399	SSVRPBXCZBLOHW-CMPLNLGQSA-N	248.391	4.635	0	10	BJAE	
CCC[C@@](F)(CN)CC[C@H](C)CCCC(C)C	2250527698	JUKPAEKKVGIZNE-CABCVRRESA-N	245.426	4.696	0	10	BJAE	
C/C=C/CCC[C@]1(N)CC(C)(C)CCC1(C)C	2251664026	GFFSZTWYSGSGDF-MOEXGYKKSA-N	237.431	4.667	0	10	BJAE	
CCN[C@H]1[C@H](CCCC(C)(C)C)CCC1(C)C	2251711761	KCPRLHGNSKPLLP-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCc1ccc(OC(F)F)cc1	2253098680	QEXJTWGQWFOSGL-UHFFFAOYSA-N	240.293	4.577	0	10	BJAE	
CC1CC(C)(C[C@]2(N)C[C@H]3CCCC[C@]3(C)C2)C1	2253683092	IRSNJYWWQGBOEO-GLUHHBOGSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](N)CC[C@@H]2CCCCC23CC3)CCC1	2253856827	QZRMCMLKIBMHNH-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@]1(C)NCC[C@H]1CCCCC12CC2	2253884986	YBAMKHBVJGITSP-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2(N)CC(C3CCC3)C2)C1	2253940173	YKOXBMHGASVDAE-JCAIJIATSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CC2CC3(CCCC3)C2)C1	2254114130	LNGQCMRZDJVOPQ-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC1([C@H](N)CC2CC3(CCCC3)C2)CC1	2254116876	WIIBPESNCWNUQL-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC([C@@H](N)CCC1CCCCC1)C2	2254489393	WPLPPGAPASKYDS-LYOOIAODSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@@H]2CCC23CCC3)CC1	2255013252	LVZCNTCOUOABON-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
C[C@H](NCCCCCCC1CC1)[C@@H]1CC12CCC2	2256415033	DUYFLBMJKOGVOX-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@]23CCC[C@H]2CC3)CCC1	2260582484	JXKSHGIOGBRZSB-BBRMVZONSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@]23CCC[C@@H]2CC3)CC1	2260599241	DMGXAKRFJRSOPS-WRQOLXDDSA-N	249.442	4.501	0	10	BJAE	
CCC1=CCC[C@@]1(N)CC1CC(CC(C)(C)C)C1	2261264482	TYTQFJOCWIFWFI-MQBCKMQZSA-N	249.442	4.667	0	10	BJAE	
CCC(C)(C)C(=O)Cc1cccc(C(C)(C)C)c1	2261364491	XEQRJWQXDDAFOS-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
Cc1cccc2ccc(CC3CC(=C4CC4)C3)nc12	2264952705	DMJZQDDTPGXESU-UHFFFAOYSA-N	249.357	4.586	0	10	BJAE	
CC(=CC[C@H](O)C[C@H]1C[C@@H]1C)CCCC(C)C	2300932587	URVRATQZPLSUQT-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CC1CCCCCC1)NC	2301147126	GSMSAHJERVNIRP-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(-c2nc([C@H](C)C(C)C)cs2)c1	2301914511	FBNAIOUHOPECAD-GFCCVEGCSA-N	245.391	4.878	0	10	BJAE	
CCCNCCC(C)(C)C[C@H]1CCC(C)(C)C1	2302760650	KKCACKYRYGCSNE-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCc1cscc1N[C@H](C)c1ccccc1C	2302885560	BJVIDOXUGIMOSN-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CC1(C)CC[C@H](CCC2(O)CCCCCC2)C1	2304398107	AUMNDCYQBPLYNA-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](CC)CN(C)C1CCCCCCC1	2307748848	DRAKZSJLBIIOIB-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CCCC(F)F)NCC	2307894786	NSNVJAJKGBCKKD-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)[C@H](C)C1CC1	2307905736	YZIHXXJBVFWDFG-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CC[C@@H]1C1CCC1	2310980422	BAODAYAJLBUOFA-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)C[C@@]23CCCC[C@@H]2C3)C1	2311163514	LYDWQWUYRCWKAJ-MMTVNHQJSA-N	246.394	4.518	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)CC[C@@H]2C[C@H]2C)cc1	2311276769	LHUOEKWXPMKLCF-IXKJSCDLSA-N	245.410	4.636	0	10	BJAE	
C1CCC(C2(C3CCCCC3)CCCNC2)CC1	2316480748	NEHLHODPOTXYBU-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)c1cc(C)oc1C	2316533494	AGXZEAHSTLHRPX-INIZCTEOSA-N	249.398	4.684	0	10	BJAE	
CC[C@@](O)(CC1CCCCCC1)c1ccccc1	2316964597	JCQMRQPNFLTSOU-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
CCCN[C@@H](CCC)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317157941	RLAYXZKAOVFZHZ-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N[C@H]1C[C@@H](C)c2ccccc21	2317631426	XFEKCOVTUIAHQL-WVZRYYJFSA-N	245.410	4.505	0	10	BJAE	
O=C(CCCC1=CCCCC1)C[C@@]12CCC[C@H]1C2	2318518911	NAKLSCINPRMTNJ-RDJZCZTQSA-N	246.394	4.807	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)[C@@H]1CC12CCCC2	2318567011	CHTLERGIQODXOS-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC[C@@](O)(CCCC1=CCCCC1)c1ccco1	2318593066	PMPGXVDKAMVXHX-MRXNPFEDSA-N	248.366	4.548	0	10	BJAE	
Cc1cccc([C@H](O)CC[C@H]2CCC(C)(C)C2)c1	2319325973	KOEHGIQHBCBRHE-GOEBONIOSA-N	246.394	4.635	0	10	BJAE	
CC1=C(C)C[C@H](C[C@](C)(N)CC2CCCC2)CC1	2320337328	MBZNMRVHAQJEPM-IAGOWNOFSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@@H]1CCC(C)=C(C)C1	2320339430	DNVCMTDFKUKOGV-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@]2(C)CCCC[C@H]2C)CC1	2320417955	ZUNYXIMLNRSQDQ-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(NCC[C@@H]2CCC(C)(C)C2)cc1	2321528982	KPJUPOJUKUVDSZ-HNNXBMFYSA-N	245.410	4.877	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1	2321623423	YCRGSAPSUHDNGH-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2C[C@@H]2C2CCC2)C1	2321646397	WXLJEERUSOKPHQ-CFVMTHIKSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCCC23CC3)c1F	2327807501	HREOBMMMRNXQNU-AWEZNQCLSA-N	247.357	4.694	0	10	BJAE	
CCCCCCN[C@H](C)c1cc(C)c(C)cc1C	20562135	DJTQCBFLPOEQTH-MRXNPFEDSA-N	247.426	4.843	0	10	BJAE	
CCCCCN[C@H](CC)c1ccc(Cl)cc1	21789556	IHEQKJFMUDNGQM-CQSZACIVSA-N	239.790	4.571	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1ccc2sccc2c1	36975841	FISDKIDPEHQHKU-RISCZKNCSA-N	245.391	4.892	0	10	BJAE	
CC(C)C[C@H](C)N[C@H](c1ccccc1)C(C)(C)C	36994700	NYZDGDHIMCUIFK-GOEBONIOSA-N	247.426	4.798	0	10	BJAE	
CC[C@@H](C)CNc1ccc(-c2ccccc2)cc1	37056939	PEUKYGWNKWSJEP-CQSZACIVSA-N	239.362	4.812	0	10	BJAE	
CCCC[C@H](NC(CC)CC)c1ccccc1	37186986	HYQOEFMCMFDGEE-INIZCTEOSA-N	233.399	4.696	0	10	BJAE	
CCN[C@H](C)c1oc2c(C(C)C)cccc2c1C	40996199	KFISEGLSRGLSAO-GFCCVEGCSA-N	245.366	4.535	0	10	BJAE	
CCCN[C@@H](CCC(C)C)c1sccc1C	42730289	HTSXMFRNFLMUFW-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	70106062	ACRPJTIRDVMDGK-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
CCCCCCc1ccc([C@@H](O)CCC)cc1	74370201	CRWZFYXOTMKNEK-INIZCTEOSA-N	234.383	4.643	0	10	BJAE	
CCCCC[C@@](CC)(CCCC)CNCC	82441824	HWMLKZSWHLXCPX-OAHLLOKOSA-N	227.436	4.763	0	10	BJAE	
CCCCC[C@@H](CC)NCc1c(C)cccc1C	83377774	XTIITDARBFLUJF-MRXNPFEDSA-N	247.426	4.752	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C)cc1C	85085005	VVWJZBCHPNEXPH-DETPVDSQSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)C1CC1	86117374	OWASSROBDNGDHI-CVEARBPZSA-N	245.410	4.552	0	10	BJAE	
C/C=C\C[C@H](CC)c1ccc(C)cc1F	107509294	GNSFFKCQCPHJEP-RNZFLTOJSA-N	206.304	4.594	0	10	BJAE	
CCCc1ccc([C@@H](CC)CCC(C)=O)s1	107544862	HXDRBPCDPCSXMV-LBPRGKRZSA-N	238.396	4.563	0	10	BJAE	
C/C=C\C[C@H](CC)c1cc(Cl)ccc1OC	107581321	PTWMFEFKGLYBSY-QZPNVGJNSA-N	238.758	4.808	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H](C)C(C)(C)C)cc1	111646357	OSSBBICJGXHDBZ-GFCCVEGCSA-N	232.367	4.504	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)c1ccc(C)c(F)c1	111745967	WFFGGWPUYTTXOI-GXTWGEPZSA-N	248.341	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)[C@@H](C)C(C)C	125275154	WZOQTBZLQMLHBE-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)c1ccc(OC2CCCCC2)cc1	140121707	WSEMJVYSUSFVHT-ZDUSSCGKSA-N	232.367	4.912	0	10	BJAE	
CNC1(C(F)F)CCCCCCCCCCC1	158628881	GJPHCMUXEMSYSN-UHFFFAOYSA-N	247.373	4.514	0	10	BJAE	
N[C@@H](CCC1CCCCC1)CC1CCCCC1	160994429	BIFXUJOGYOJZNP-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)c2cccc3ccsc23)C1	163214735	NYLVGUHYDLZQKL-CMPLNLGQSA-N	244.359	4.520	0	10	BJAE	
CC(C)CCC[C@]1(O)CCCC(C)(C)CC1	165634206	WCDYUUZPTPXAOV-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@](C)(CCCC(C)C)CNCC(C)C	166078281	WNVBJCAFZMGTLG-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1N	166187659	NFEXGEHKTJTODI-RRFJBIMHSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C(=O)CC2CCCCC2)sc1C	168007042	RRCWVQSAUSFIJF-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCC1CCC([C@@H](N)C2(CC)CCCC2)CC1	168778611	ZUYATDIDIOJYGX-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
C[C@H](c1ccccc1)C1CCCCCC1	196041772	WXKKACNPJQPBSL-ZDUSSCGKSA-N	202.341	4.761	0	10	BJAE	
CC[C@H](C)c1c(Cl)cccc1Cl	199245383	IDCHJFOUCXBMNE-ZETCQYMHSA-N	203.112	4.507	0	10	BJAE	
C1CCC(CCCN[C@H]2CCC[C@@H](C3CC3)C2)C1	225037360	FKMQLGJVXAQWDE-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](c1ccco1)[C@@H]1CCC[C@@H](CC)C1	227002167	XYJVHHJNUIZHPM-IIAWOOMASA-N	249.398	4.537	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@@H](C)c2ccco2)C1	230767216	PSZUDIQCLXZMBD-KKUMJFAQSA-N	249.398	4.535	0	10	BJAE	
FC(F)(F)c1ccc2cccc(Cl)c2c1	238592377	YPYSEFMRWNQPHM-UHFFFAOYSA-N	230.616	4.512	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	253042124	LXMPJDNNCUKQEJ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(C2(C#N)CCC2)cc1Cl	260669687	QYTXKOBBDPXUBN-NSHDSACASA-N	247.769	4.799	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1cc(C)c(C)cc1C	302429210	RXROBOGSCWRQSU-PXAZEXFGSA-N	247.426	4.699	0	10	BJAE	
O[C@H](CCC1CCCC1)c1cccc(C2CC2)c1	305895633	GUVHNSVBUSNWFK-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CSc1ccc(Cl)c2c(Cl)csc12	306911686	RAQUFJJNWSUCNY-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C1CCCCCC1	308059333	VXPXBVFZULQKLK-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC(C)(C)C2=CCCC2)[C@@H]1C	308754960	JSFSOIOKMAANRV-FMKPAKJESA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@](O)(C[C@H](C)CC(C)C)C1CC1	310133089	BDPPHQRVUBIRCQ-GDBMZVCRSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(N)c(N[C@@H](C)CCCC(C)C)cc1C	310693943	SWLSEGHRRXFNTD-AWEZNQCLSA-N	248.414	4.512	0	10	BJAE	
CC[C@](O)(CCC1CCCC1)c1cccc(C)c1	310714041	VTXXPWYXFZRMLB-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CC[C@H](NCCCC(C)(C)C)c1ccsc1	313291480	HAQOFRFHDHMILF-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)c1cc(C)cs1	379234133	UDYYUMQWMHGDOJ-DGCLKSJQSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)C[C@@H](C)c1ccccc1	384314803	MTAWZFWHXHABPC-DJIMGWMZSA-N	246.394	4.512	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)CC(C)(C)C)c1F	385121901	KFYQVTNQZBKBPZ-SNVBAGLBSA-N	241.325	4.510	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)c1ccoc1C	385260358	YISWVOYXNQKSBE-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
C/C(=C\Cl)CNc1ccc(C(C)(C)C)cc1	390435478	IGIBQXSMKCLYPO-PKNBQFBNSA-N	237.774	4.539	0	10	BJAE	
CCCNC/C(=C\C(CC)(CC)CC)CC	395118296	IKTVVXUMGRXFBP-OWBHPGMISA-N	225.420	4.539	0	10	BJAE	
CCc1c(C(C)(C)C)[nH]c2c(C)ccc(C)c12	395657518	WFMVGDWDXUWSFJ-UHFFFAOYSA-N	229.367	4.645	0	10	BJAE	
CC(C)c1ccc(OC[C@@H](C)C2CCC2)cc1	398619178	DQOQEYJTQIOABA-CYBMUJFWSA-N	232.367	4.625	0	10	BJAE	
CCCN[C@H](CC1=CCCC1)[C@@H]1CC[C@H](CC)C1	400470663	QNHUHCBKNPVMLX-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)CC1(C)CC1	401259345	PXBMECPIWPFBCL-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)c1cccc(C(C)(C)C)c1	691648280	APHMAPYGKBAPHL-XJKSGUPXSA-N	247.426	4.666	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cccc(C(C)(C)C)c1	691650045	IQHYYSONRPDNNH-MRXNPFEDSA-N	247.426	4.810	0	10	BJAE	
CC(C)CCC[C@H](C)NC1CCC2(CC1)CC2	695997465	KWVPOZJODWYXNP-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CC[C@](C)(CCCC1CCC1)CNC(C)(C)C	701579285	UKJPTGCXPVVFFI-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@]1(N)CCCC12CCCCC2	704462954	VLMAVRWEOIYBFP-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@@H]1CCCC[C@H]1C	704797641	PNNKGHUAOCZKHR-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1CCC(C)CC1	704893132	OJCFFPPDLMJTTE-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(N[C@H](C2CCC2)C2CC2)c1Cl	705301308	DUONBJBDIRLBGP-OAHLLOKOSA-N	249.785	4.639	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)[C@H]1CCCC12CC2	707152128	XGEHGXXLWFKKMG-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NC[C@H](C)CC(C)(C)C)c1C	709098752	RLDMFJFCMAJIRK-GFCCVEGCSA-N	233.399	4.788	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@@H]1C(C)(C)C)CC(C)(C)C	709125659	IETOBWCLOVKZOS-UPJWGTAASA-N	238.415	4.700	0	10	BJAE	
CC[C@H](CC(=O)CCC1CCC1)C(C)(C)C	711112951	IRYNKMSUABXGRY-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C[C@@H](O)c1csc(C)c1)C(C)(C)C	711174597	CLCYQFXPSIAZLZ-QWHCGFSZSA-N	240.412	4.552	0	10	BJAE	
C=C/C=C/CCCc1csc2ccccc12	713631420	FKKSBKAHLPDYRW-ONEGZZNKSA-N	228.360	4.966	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@@H]1CCCC1(F)F	713962076	UCLPTDZVBVDTFV-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC(C)=C(C)CCc1ccc2ccccc2c1O	718579293	RMPGSDSVXIBING-UHFFFAOYSA-N	240.346	4.834	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)C1CCCC1	718649359	DQNFRGFVZWFPSM-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1c(C)cc(C)cc1C	718738295	FCTPHXGZKLLZKZ-UHFFFAOYSA-N	244.378	4.931	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	722883387	ZLVZWWPAMBNXIR-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCC1(CC)CCC(=O)c2ccc(C(C)C)cc21	757190300	VFHRRGCCTIQUJH-UHFFFAOYSA-N	244.378	4.844	0	10	BJAE	
CC[c-]1[cH-][cH-][cH-][c-]1C(C)(C)[c-]1[cH-][cH-][cH-][c-]1CC	1083100825	BKOXQBGVSZCMLY-UHFFFAOYSA-N	226.363	4.575	0	10	BJAE	
CCCC[C@H](C)[C@@H](C)NCc1cc(C)cc(C)c1	1474640929	HFEVBNIBZGHKEU-JKSUJKDBSA-N	247.426	4.608	0	10	BJAE	
C=C/C=C/CCN[C@@H](CCC(C)C)C(C)(C)C	1653026307	AWHDQKXVKLKZRT-HVHJFMEUSA-N	237.431	4.559	0	10	BJAE	
C[C@H](CCc1ccccc1)SC1CCCC1	1656035254	FRQTVMHCKBCZOL-CYBMUJFWSA-N	234.408	4.684	0	10	BJAE	
CC[C@@H](NCC1(C2CCC2)CC1)C1CCCCC1	1875412001	FFQBXTCXUAWIKL-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(=CCC(F)(F)F)CCCC(C)C	1888070245	LZACZCICVZEJGN-UHFFFAOYSA-N	208.267	4.711	0	10	BJAE	
CCC(CC)CCC(=O)C[C@@H](C)C(C)(C)C	1900697033	NLDDKZAQEYQFGL-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
CCCN[C@H](C)c1cc(C(CC)CC)cs1	1901884239	FTIRFXHLNQMLNC-LLVKDONJSA-N	239.428	4.712	0	10	BJAE	
CCC[C@@H](CC)CC1(O)CCCCCCC1	1905379414	AMCANUFHUPHKLW-CQSZACIVSA-N	226.404	4.678	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccc(Cl)cc1	1905451415	UQPFHPIZQACNLQ-SMDDNHRTSA-N	239.790	4.556	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)[C@H](CC(C)C)C(C)C	1910808872	CMBDCWBRIWDPAA-QLFBSQMISA-N	238.415	4.700	0	10	BJAE	
O[C@H](C1=CCCCCC1)C1CC2(CCCCC2)C1	1912724346	PJVGBZHKAXQZEP-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CCCC=CCN[C@H]1CCCC[C@@H]1C(C)(C)C	1914680877	XLYHASAKYSJSAY-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1N[C@@H]1CCC2(CCCC2)C1	1916406343	NZVTZGYXQIVGRQ-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@@H]1CCC[C@@H](C)C1	1919960183	OASSKDSBDNCYRQ-ZJIFWQFVSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](C)NC1C[C@H]2CCC[C@H](C1)C2	1923460609	IRAVXDLBTJBJMP-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC(CC)CC	1926211556	FABHSTOFSNRAER-AWEZNQCLSA-N	226.404	4.988	0	10	BJAE	
Clc1ccccc1NCCCCCC1CC1	1936412380	HCZGNFACKIGBKR-UHFFFAOYSA-N	237.774	4.722	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC1(C)CCCCC1	1940407494	JFEWVALXKIPCSY-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)c1cccc(-c2cccc(Cl)n2)c1	1941119848	RVCKEZSNFDQFCV-UHFFFAOYSA-N	245.753	4.700	0	10	BJAE	
C[C@@H](CCCCN)C1CCC(C(C)(C)C)CC1	1941145519	ZPEHYKQCTDZIEM-NFOMZHRRSA-N	239.447	4.604	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CC(C)(C)CC)NCC	1941274091	WHYFINAESSIRKV-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)CCCCCC1CC1	1941581488	LJMQOIMFWATXQB-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)CCCC1CCC1	1944635478	RJAUDXNQNZAALL-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)C(C)(C)C1CCCCC1	1944661728	VSQHIFRWQMMDMY-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C(C)(C)C(C)C	1944678386	AAPVDGCMWIVHQU-OAHLLOKOSA-N	239.447	4.783	0	10	BJAE	
CN[C@@H](CCCC(C)(C)C)[C@@H]1CCC(C)(C)C1	1945578844	KDJDSOAKNFJAEH-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CCC(F)(F)CC)CC1	1947890936	SHCTWEJXRSMVPA-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCCC[C@H](C[C@H]1CCCC[C@@H]1C)NCCC	1948434092	WTOMWPSYRWYQIP-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)CCCC(C)(C)C	1948984003	PQYYDBHXSSVKDG-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC1(O)CC2(CCC(C)CC2)C1	1950545417	LUIGKXMPTUUQIB-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)NCCC12CCC(CC1)C2	1950957536	HLOWKSATVZBRMK-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)NC[C@@H]1CCCCC12CCC2	1967865710	XIZJDMBHZNOOMH-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CCC2(CCC2)C1	1968238445	WZFLYEODYJPPGJ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(OCC[C@H]2CCC[C@H](C)C2)cc1	1968345830	FWFZURPDKKLGLG-GOEBONIOSA-N	246.394	4.844	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@H](C)C(C)C)cc1	1968369153	SARFDIQXCFPGPQ-KGLIPLIRSA-N	234.383	4.871	0	10	BJAE	
CCc1ccc(CN(C)[C@@H](C)CCC(C)C)cc1	1968373286	SLEDACBCOBNZQX-HNNXBMFYSA-N	247.426	4.506	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCCC[C@H]1CC	1968859101	JXOPXWINRNDOEI-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H](C)C1CC2(CCC2)C1	1974006224	ZQKMWTQQBHYCLB-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCCNCC(CC)(CC)CCC=C(C)C	1978639911	TTXWJDLQHMLDKT-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CCCC[C@](C)(CCC(C)=C(C)C)CNC	1978648370	CXYFZROQEZAFTG-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CC[C@@H](C)c1csc([C@@H]2CCC23CCC3)n1	1979522963	OAZKATFLDOPJGC-MNOVXSKESA-N	235.396	4.704	0	10	BJAE	
C[C@@H]1CCC[C@H]1n1ccc2ccc(Cl)cc21	1982615618	IAZDNKAEEKANTB-ZWNOBZJWSA-N	233.742	4.656	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1CC[C@@H](C)C1	1990094052	RETBGAKRUTZEST-QLFBSQMISA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCCCN(C)CCCC(C)C	1990844963	FKMNDQHTJQZSRI-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
Fc1ccc2occ(C3CCCCC3)c2c1	1995498176	LDQPXQKUFJQWFZ-UHFFFAOYSA-N	218.271	4.620	0	10	BJAE	
CCC/C=C/CN[C@H]1CCC[C@H](C(C)C)CC1	1995875621	UZYDZYIXTLQWPH-MIVXPEEVSA-N	237.431	4.537	0	10	BJAE	
CC(C)Sc1ccccc1NCC1=CCCC1	1996571956	ZPUUKCZSUZIEPE-UHFFFAOYSA-N	247.407	4.709	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H]1C=CCCC1)NCC	1996603678	WGAKXTSVFSXMHM-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C1=C[C@H](Cc2ccc(CC3CC3)cc2)CCC1	1996625688	MLJDQTJELTWXHX-AWEZNQCLSA-N	226.363	4.538	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(O)C[C@H](C)CC(C)(C)C	1998751253	FQDRZNZFHSGAQA-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)[C@@H]1CCCC(C)(C)C1	2000023426	HKZIWMHUZVPLRO-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2000048768	SKZSVKGLBOYQBT-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@](CC)(CN)[C@@H]1CCCC[C@H]1CC	2000501716	HGIFLCZKJHCUGM-BZUAXINKSA-N	239.447	4.748	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@]1(C)CCCCC1(F)F	2002583973	WFZJGQFMKJFTAK-YPMHNXCESA-N	246.341	4.597	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@@H](C)[C@H](C)C1	2004712168	QQELOVWSNJKXQV-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)C1(C)CCC1	2004833517	CFXYQAVNVVNHRH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@H]1CCCC(=O)[C@@H]1C)C1CCCCC1	2006986815	FQGHYGRELARQMR-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC2CC(CC)C2)C1	2007769370	NWJMUZCXOWVIMO-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)c1csc(C)c1C	2007948916	XEEDPUUMUWILMY-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@H](CC)C(C)C	2009616283	HPIOPGXZRBTKNN-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C1=CC[C@@H](C(C)C)CC1	2010720892	PDNCYUXMZQHOTN-SQWLQELKSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)C[C@@H](N)C1=CC[C@@H](C(C)C)CC1	2010749922	SMEDKZCGVILTOV-GDBMZVCRSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H](C)C[C@]1(CNC(C)(C)C)CCC1(C)C	2014849134	LBAWBTFVLKYLPE-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)[C@H](CC)CC(C)C	2015279701	ZBMPTEMVGKAQIL-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@@](O)(CC)C[C@@H](C)CC)CCC1	2015636308	WGNNQEXNLZRZSJ-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@](O)(CC)CC1(C(C)(C)C)CCC1	2017118900	LVOFXALSZUGWEQ-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(C[C@]2(O)CCC[C@@H](C)C2)CC1	2017649373	UVRXUAWLXDPZJP-LMPOIIKSSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NC[C@H]1CC[C@H](C)CC1	2017650064	COHRQZZEURISRU-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(O)CCC[C@@H]2C)CC1	2017650360	GFHBOFQAGFTLNU-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(O)CCC2(C)C)CC1	2017650598	IWPDOIUVDITAQD-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(O)CCCC2(C)C)CC1	2017652039	AYLLTBQHBOOEIZ-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H](C)[C@@H](C)CC)CC1	2017662590	KNXWHDCCHQOSCT-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H](C)C(C)C)CC1	2017773519	BUIGFPZNYHSLDV-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@H](CC)NC1CCC(C)(F)CC1	2018130638	PCWCKKOEGJYZJL-WLYUNCDWSA-N	243.410	4.606	0	10	BJAE	
CCCC1(CC[C@@H](CC2CCCC2)NC)CC1	2018987551	LOVGMSVQGJFLLJ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)N(C)[C@@H](C)C1CCC(C)CC1	2019297441	LFPJPYPZQQHJHI-FYRZTWFESA-N	239.447	4.568	0	10	BJAE	
CCC[C@@H](CC)Nc1ccccc1C1CCC1	2021027457	ZYTCRVVGMQLCPT-CQSZACIVSA-N	231.383	4.945	0	10	BJAE	
CCC1CC(C(=O)C[C@@H]2CCCC(C)(C)C2)C1	2024092756	UUAZICRLRHNRJH-MOKVOYLWSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CCC2(O)CC(C)(C)C2)C1	2024117107	KJPMMFGUUIDVIT-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC(C)(C)C(F)F	2026078998	JTSPWOXVHQWYJI-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
C[C@@H](CC(=O)c1cccc(C(C)(C)C)c1)C1CC1	2027627604	KGNGTGBJJDKCJT-LBPRGKRZSA-N	244.378	4.603	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)c1c(C)cc(C)cc1C	2028261098	GHNFUAIEPNNRST-DOTOQJQBSA-N	247.426	4.684	0	10	BJAE	
CN[C@@H](C[C@H]1CC1(C)C)c1cccc(C(C)C)c1	2032424255	OMIDNLGQMNNXRP-HOTGVXAUSA-N	245.410	4.507	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C2C[C@H]3CC[C@H](C2)C3)C1	2033102068	YGXFEBAYWKXRIA-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C12CCC(CC1)C2(C)C	2033452734	FITHJHPAVHWTDQ-ZBUZPQQSSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@H]1NC1CC(C2CCCC2)C1	2033764939	QLWPSQBDJYPKNG-UYSNPLJNSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NC2CC(C3CCCC3)C2)cc1F	2033768586	UKTSZVGIGLHYDW-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCC1)C1CCC(C)(C)CC1	2035597325	BWYSXEYWCVWLEJ-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@H]1C[C@H]1CCC[C@H]1C	2037221609	VIFBLBAXZWULCF-CTASWTNQSA-N	243.394	4.658	0	10	BJAE	
CCCC[C@H](CC)CC[C@@](C)(O)c1ccccc1	2038167870	STLUXCGOAQGYKM-DOTOQJQBSA-N	248.410	4.891	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC2CC3(CC3)C2)CC1	2039375952	LZGASFILDZOWPY-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](CNC2CC3(CCC3)C2)CC1	2039386624	RVABZKGLNBIHAT-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCC(=O)C1CC2(C1)CC1(CCC1)C2	2039422420	SLDCPUSSNDBINK-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)c1ccc(C)cc1C	2040726021	NUJBNULXNQWURO-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@H]1CCCC2(CCC2)C1	2041290919	VCHBTZLCRMSDMT-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H](C)c2ccccc2)CC1	2041383592	OXPZQWWODBBQRD-OAGGEKHMSA-N	245.410	4.554	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)[C@@H]1CC=CCC1	2042018993	KTGNZFCOYCICTP-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)[C@@H]1CC=CCC1	2042031303	SFMHJUNUGXNUGS-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC[C@]1(C[C@@H]2CCC=CCCC2)CCCCCN1	2045323886	QASUKPSPMJSELI-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CCC[C@@H]([C@]2(N)CCCCC23CCC3)C1	2045386480	XYQFKGMHGZQVMV-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](C)C[C@@H](C[C@H](C)c1ccccc1)NC	2045750619	WMSXUYZDEONTFN-ZOBUZTSGSA-N	247.426	4.595	0	10	BJAE	
C[C@H]1CCN([C@H]2CCC(C)(C)C2)c2ccccc21	2046581082	JVPRWLVUYBQGJL-KBPBESRZSA-N	243.394	4.579	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)[C@H]1CC(C)=C[C@H](C)C1	2046910117	CRLIMDJIALVWCW-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](C[C@H]2CC23CCCC3)NCC)CC1	2047023272	KUZBTWCZEFNZMX-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
NC1([C@@H]2CC[C@@H]3C[C@H]3C2)CCCCCCCCC1	2047353173	JLJPPSVJEHVGPV-OWCLPIDISA-N	249.442	4.645	0	10	BJAE	
N[C@]1(C2CCCCC2)CCCCC12CCCCC2	2047561155	OHZLHCPRCFXNLO-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2[C@@H]3CCCCC[C@@H]23)C1	2048465476	KFNHXPRIBJWCMA-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@H]1CCCC2(CC2)C1	2049846349	RWSZKLUHHYULRU-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@]1(C)C=CCCC1	2050000358	NBTHKEUWWDDDNB-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@H](NC2CCCCCCCCC2)CCC1	2055549981	QGFBBBPYJHVFEU-QGZVFWFLSA-N	249.442	4.968	0	10	BJAE	
O[C@@]1(C=C2CCCCC2)CCCCC12CCCC2	2056857534	DRGRACWVOFGAHW-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(C(F)(F)F)c(C(F)F)c1C	2060350684	DWVXGGXNQGOLBE-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C1=CC[C@@H](C)CC1	2060920022	BAKMTXMXTFRMDP-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](C)CC1)C1CC(C)(CC)C1	2060921144	JERIBGBNEFXRSR-AKBUMOGYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C([C@@]2(O)CCCC3(CCC3)C2)CC1	2061087440	GACUAWQEFZSLJA-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](NC)C2=CCC(C)(C)CC2)C1	2061087573	GUGCEQPIZJOMES-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1C1=CC[C@H](C(C)C)CC1	2061151511	SPYRNYGSXJTXLE-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
C[C@H](NCC[C@]12CCC[C@@H]1C2)C1(C)CCCCC1	2061574035	CPEWJVOFHQLAAX-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CNCC1(CC[C@]23CCC[C@H]2C3)CCCCCC1	2061610515	AMOHNIWAFXRRLT-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1CC(=C2CCC2)C1	2061696072	LPSUYLYZBPYZND-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C2CC3(C2)CC(C)(C)C3)C1	2063798617	OEAWYWCQDJRODW-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](CC23CCC(CC2)CC3)C1	2065285882	KJUXDJDJMJCSRO-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](C1CC1)C1CCC2(CCCCCC2)CC1	2065896665	JWVIYABCOBMKJV-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@H]1C1CC1)C1(C)CCCC1	2067510694	XAAHGIJLMNKMTP-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)C1CC(=C2CC2)C1	2068836638	LUWVHMJHVFOSJP-CXAGYDPISA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)CC1CC2(C1)CC(C)(C)C2	2071483413	FQLBLFXRUWUOSF-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CCc1ccc(NCC2(C(C)(C)C)CCC2)cc1	2071948521	FQVOGRZQHRZQLZ-UHFFFAOYSA-N	245.410	4.877	0	10	BJAE	
CCCC1CCC(C(=O)c2ccc(CC)o2)CC1	2072701252	WJQSVOCHTAKUPU-UHFFFAOYSA-N	248.366	4.631	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)[C@H]2CCCCC23CC3)CC1	2072798482	JVZJOSPDLCWDKZ-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2C[C@H]2C2CCC2)cc1	2079283467	SVKOKIDLRFLBMD-WBVHZDCISA-N	243.394	4.658	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)[C@@H]1C[C@H]1C(C)C	2079429656	YGOHSQCYKDUIDM-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@H]1C[C@H]1C(C)C	2079430751	GOHNANLATQMWFG-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
O=C(CC1CCCC1)[C@H]1C[C@@H]1C1CCCCCC1	2079491839	MHGFYTUHNRICIP-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)CCC[C@@H]3CCCC[C@H]32)C1	2081118550	NJNQTSGVVRSXJC-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(CC=C2CCC2)CCCC(C)(C)C1	2081676664	YOTOPDLPAUXZIL-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCCNc1cc(C2=CCCCCC2)ncc1C	2081969503	GVPSCLAZDMBRGR-UHFFFAOYSA-N	244.382	4.559	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@H]2C3)CC1	2086159680	QGDNQZBBOMMMNN-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC12CC2)CC1(C)CCCCC1	2086350894	NZBAINZLGLWQHZ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1cc(CC2CC(=C3CCC3)C2)c(C)s1	2211646304	NYGHVWIVAWPGEX-UHFFFAOYSA-N	232.392	4.798	0	10	BJAE	
CC(C)(C)CCC(=O)CC1(C)CC(C)(C)C1	2211654192	LHFZDRYHJPGCLJ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CCN[C@H]1C[C@H](CC(C)(C)C)C1	2213119445	PSOLFIHRTNSMDN-HDJSIYSDSA-N	239.447	4.617	0	10	BJAE	
CCC(O)(CC)CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213298732	GJPFINMZVZNJJK-FICVDOATSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)CCCCCCC1CC1	2213571111	DKJHICLRDNHXIW-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)CCCCCCC1CC1	2213581333	VHYMOSAYUNNAHN-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(NCCCCCCC2CC2)cc1	2213582169	FKTYAQUHWJRGBT-UHFFFAOYSA-N	231.383	4.767	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(O)CCCCC2CC2)C1	2214569689	OMTUXRGKNFUVMM-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCCCC2CC2)C1	2214580992	JRKQQRANHDIDMZ-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2CC[C@@H]2C)CC1	2214947409	BJPOGKKAFPNVEI-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCC[C@@H](C(C)(C)C)C1	2216260563	YQHOWDOJFDDBKZ-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC1(C)C[C@H]1[C@@H](N)CCCCCCCC1CC1	2216878400	UTWSQVQIJZGFDZ-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC1([C@@H](O)CCCCCCCC2CC2)CC1	2216902721	YFXZNQZODDIDCJ-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](C)CC1(CN[C@@H](C)CC)CC=CC1	2217130775	UBHSZQIDXZWHAL-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC1CCCC1)C(C)C	2217142721	XQBBBOKHJPCXFN-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218356083	JDAWUVCCIUEGTI-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NCC2C[C@H]3CCC[C@H](C2)C3)cc1	2218358349	VWUBKLLDNITOTD-GJZGRUSLSA-N	243.394	4.623	0	10	BJAE	
C[C@H]1C[C@H](CCC=Cc2ccccc2)C[C@@H](C)O1	2219074502	SBDBRWPXUBUSEM-SCAQPMJSSA-N	244.378	4.684	0	10	BJAE	
Cc1ccc(F)c(CC=Cc2ccccc2)c1F	2219079293	YHTBRAQNWADEJI-UHFFFAOYSA-N	244.284	4.529	0	10	BJAE	
C[C@@H]1CC(n2ccc3cccc(F)c32)C[C@@H](C)C1	2220310881	NDILZKVFLYTIDX-RYUDHWBXSA-N	245.341	4.778	0	10	BJAE	
CC[C@H]1C[C@@H]1C(=O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222955888	XNSVDKCSGYGOFY-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@]1(C)C(=O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222982342	SJLJAFIHISTSGT-GAGVYUBLSA-N	248.410	4.598	0	10	BJAE	
C[C@](N)(CCCCCCCC1CC1)c1ccco1	2223154064	HEARNOXWFIFIAZ-INIZCTEOSA-N	249.398	4.594	0	10	BJAE	
CCCCC[C@](N)(CC)c1csc(C)c1C	2242626802	MPRCCYICZILDTR-CQSZACIVSA-N	239.428	4.509	0	10	BJAE	
CCCCC(=O)CCCCCC[C@@H]1C[C@H]1C	2243883016	BFKLITDJMJMJLI-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H](CC)C(=O)[C@@H]1CCCC(C)(C)C1	2244786530	VAJROJARQOURJA-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](CC[C@@H](C)CCCC(C)C)[C@@H](C)O	2244844869	HVMXPXPGYDBBGC-RRFJBIMHSA-N	228.420	4.636	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)CCC2CCC2)C1	2246676966	ANEYIFDQLIHDEF-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1CCC1(C)C	2247387376	RNTMBJNOEOLJEJ-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC[C@@H]1CCCC12CC2	2247619975	QZPNESZHNRXWAX-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CC(N)(CCCCC[C@@H]2C[C@H]2C)C1	2248812440	ACSRCMGRVGZPNJ-WXLSXGNJSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCCC1(O)CC(C)(C)C1	2248824078	WRQSIBMYEKBIFC-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@H]1CC2CCC1CC2	2250367885	AZZOYEXZTZZIDK-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1CCC[C@@H](CC)CC1	2250384810	OBYZHJAQCUVGBW-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCCC[C@H]1O	2250467361	PVMDECUYHXJKRH-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)[C@H]1CC1(C)C	2250478224	GKZZIUZYBBUTMJ-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)CC1CCC1	2250487576	CGEMFPOQLXLFAY-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)CNC(C)C	2250528315	MPSIMYORAWZEEC-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1ccc2ccsc2c1	2253090698	ZEUKLNVBAPCNKS-XHDPSFHLSA-N	248.391	4.761	0	10	BJAE	
O=C(CC[C@@H]1CCCCC12CC2)[C@H]1CC=CCC1	2253788715	CLRCXZMHBYVVMR-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
C[C@H](C[C@@H](N)C[C@@H]1CCCCC12CC2)C1CCC1	2253809762	KFPHXWMSOOOXCK-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CC(=O)CC[C@H]2CCCCC23CC3)C1	2253860689	ZNLFJFHAGOSFDT-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCCC1CC(C(=O)CC[C@@H]2CCCC23CC3)C1	2255309121	SPPKDVDOAJYSIH-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNC1(C2CCCC2)CC1	2257337180	DUGIJXIAIQVRSU-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN(C)C1CCC=CCC1	2257964803	ZLMQEIIAPJOFME-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@@]12CCCC[C@H]1CC2	2260508962	SIPBPSJXKVOLSE-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CNC[C@@]23CCCC[C@@H]2CC3)CCC1	2260527823	OQQCINDVCINYAA-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	2297867959	REACPKJOBAALOH-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]([C@@H](CC)CCC)[C@H](C)CC1CC1	2298906706	BFNAAWHIYUAMEH-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@H]1CCC12CCC2	2300501618	PMZRVQVYPYGSBM-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1C[C@@H]1CNc1cc(C2CC2)ccc1Cl	2300668863	BTHMBWGUHYNELA-GXFFZTMASA-N	249.785	4.675	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1CCC[C@@H](CC)CC1	2300902531	VLWMWIJICZLUKJ-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@H](C[C@H](C)CC(C)(C)C)NC	2300909148	KZOOQUAEHUBJGQ-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CCC1CC(O)(CC=C(C)CCCC(C)C)C1	2300918798	OKLKIBMNOSMOKS-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC([C@](C)(N)CC2CCCCCC2)C1	2301148179	RKZFZJUHTKMHIN-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCC[C@H]2C[C@H]21	2302824215	HHYPPIBRRJXWCD-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CCC[C@]1(CN[C@H](C)CC)CCC(C)=C(C)C1	2303468232	LZQXELJPILZSLF-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1CC)CC(CC)CC	2303572858	GXIUVMPVKOSOJP-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@H](C[C@@H]1CCC(C)=C(C)C1)NC	2303594078	BYZJZJYNDQZKLI-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CCC(C)(C)C)CC1	2303604100	ZSXBMBWCAFCVNN-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)C1CCCC1	2307895328	VNAJHVFJOASUOY-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CC(CC)(CC)C(=O)OCC	2307897587	CJPBXKZFHAKMGM-ZDUSSCGKSA-N	242.403	4.572	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)CCC[C@@H]1C[C@H]1C	2310419454	YTYPIXOKFLUXGN-CPUCHLNUSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](N)C1=CC[C@H](C(C)(C)C)CC1	2310971004	RQCWEFNSADPRQO-OEAJRASXSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)[C@@]23CCCC[C@@H]2CC3)C1	2313291943	FOPXHNQJTJVARH-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2313322893	PUFRIOTXZLYSOS-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)C[C@@]12CCCC[C@@H]1CC2	2313343930	KUKYQLGLDQYBBK-NCOADZHNSA-N	249.442	4.502	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@@H](C)CC1CCC1	2313588070	SCELYWUFKHFOEZ-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
C[C@H](CC1CCC1)[C@@]1(N)CCC2(CCCCC2)C1	2313664360	ICGSWLTUHVNKRP-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
O=C1CCCCCC[C@H]1C(CC1CC1)CC1CC1	2313693004	SVFDJAHWMKSQMZ-INIZCTEOSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H]1[C@H](CC=C(C)CC)C[C@@H]2CCCC[C@@H]21	2316531068	APWMXUYFFXGDEY-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCCCCc1cc(CNCCC)ccc1C	2318364299	LFFHHWYPOQDBRU-UHFFFAOYSA-N	247.426	4.617	0	10	BJAE	
C[C@@H]1CC[C@H](NCCCC2=CCCCC2)C[C@H]1C	2318532035	SVDBQHXCRLZNRA-INMHGKMJSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@@H]1CCC(C)=C(C)C1	2320388511	QRALJLLHFSHEGG-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@](CNC2CCC2)(CC(C)C)CC1	2320394700	AJDSJYWTFSGHNB-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCC[C@@H](C)C2)CC1	2320400406	YWFRGCIKJAITRA-DAXOMENPSA-N	248.410	4.908	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)Cc1cccc(C(C)C)c1	2320625679	ATZRCTJTJLPHJY-NVXWUHKLSA-N	248.410	4.540	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cccc(C2CCC2)c1	2320657262	NKMSLASJHYRVLG-CHWSQXEVSA-N	244.378	4.819	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@@H](CC2CC2)C2CC2)CC1	2320810093	HGQAQAJOEXYKPG-WQVCFCJDSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)cc(NCCC[C@H]2CC2(C)C)c1	2321076224	BPMXNLGHHCNKDG-ZDUSSCGKSA-N	249.373	4.626	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCN[C@@H](C)[C@H]2C)CC1	2321287012	APXVJLBWKJXYKE-QKPAOTATSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C23CCC(CC2)C3)C1	2321611777	UIFGBTKPEKTLDA-CBCUQQMYSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)[C@](C)(N)c1cc(C)ccc1C(C)C	2327682801	YVJPSUFCHSDAID-QGZVFWFLSA-N	247.426	4.729	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(c1ccccc1)C(C)C	2328194350	UPAGXMWDAIOAPQ-RDJZCZTQSA-N	247.426	4.713	0	10	BJAE	
CCCc1ccc([C@H](N)C[C@H](CC)CCC)cc1	2328276530	RBOUAFSTYZSCNS-RHSMWYFYSA-N	247.426	4.855	0	10	BJAE	
Cc1cccc2c1sc1cccc(C)c12	6071801	KCDDLWLZPFIOGI-UHFFFAOYSA-N	212.317	4.671	0	10	BJAE	
CCCCCN[C@H](C)c1ccc(CC(C)C)cc1	20550730	HXUJEFCRZVTDHK-OAHLLOKOSA-N	247.426	4.726	0	10	BJAE	
CCCCCNc1cc(C(C)(C)C)ccc1OC	35022900	BZUXAIYYSGHUAS-UHFFFAOYSA-N	249.398	4.595	0	10	BJAE	
CN[C@@H](C[C@H](C)CC(C)(C)C)c1ccc(C)cc1	35466123	YLJJQEHKDFUFFH-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
CCCC[C@H](NCCC)c1ccc(Cl)s1	35583520	UOEWCTPWUGAZQX-JTQLQIEISA-N	245.819	4.632	0	10	BJAE	
CCN[C@H](CC(C)C)c1ccc(C(C)C)cc1	36820018	OVYFLSTYWBUPLI-MRXNPFEDSA-N	233.399	4.507	0	10	BJAE	
CCC[C@@H](C)CNc1ccc2sccc2c1	36975602	JKBYWJFPPXYZRY-LLVKDONJSA-N	233.380	4.749	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)c1ccc(C)s1	50326737	SIEYODVNKGRLNZ-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccc(SC)cc1	70977396	KBAQHFSIFCFMMY-DOMZBBRYSA-N	249.423	4.789	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@@H](CCC)CCC1=O	71083869	OQGPVVIIXWZTLM-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)cc1	80125247	FPDFNLVQABOPHB-JLJPHGGASA-N	243.394	4.622	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](CC)C[C@H](C)CC	82631366	BXIUKLRFCDDZFX-VNHYZAJKSA-N	227.436	4.616	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1C[C@H](C)CC[C@@H]1C	85098726	OHLYJIPSPIDBRZ-DVOMOZLQSA-N	245.410	4.794	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)CC(C)C	87399052	HDNXLWAUAPRGBD-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](NC)c1cc2c(C)ccc(C(C)C)c2o1	88075173	UNXGIUYWEAWHLQ-AWEZNQCLSA-N	245.366	4.535	0	10	BJAE	
CCC1(C(=O)c2c(C)cc(C)cc2C)CCCC1	94898987	GFMNHMBMTWHJDM-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CCCN[C@@H](c1cccc(C)c1C)C1CCCC1	103946508	HWRDLLQLZJLILX-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@H]1C[C@@H](CCC)CC[C@@H]1NCCC	103949288	DMBRTXQAPZLCSU-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cccc(OCC)c1	109912009	SQITTYVOAALQCF-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
CCCC[C@H](NC[C@@H](C)CC)c1ccccc1	109955024	OQCFGQPWLKJSKH-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CCC[C@@H](C)C[C@H](CNCC(C)C)CC(C)C	110183996	SRRINVVVMIBXAU-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC1CCCCC1	125893427	LXBMBRZILMHSMY-LSDHHAIUSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](NC2CCC3(CCCC3)CC2)[C@@H]1C	129414349	IZYPCGAEHRWVSN-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CC[C@H](C)C2)n1	132213300	AEWZMFNVHUKXTP-GARJFASQSA-N	223.385	4.560	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1ccccc1C1CCC1	132603704	OIAQMSSSLACOFW-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CCCC(CCC)[C@H](N)C1CCCCCC1	133342858	NYKKQCSLUHZPST-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@H](N[C@H](C)C1CCC1)c1ccccc1	137709696	LARCSLDWROKOED-PBHICJAKSA-N	245.410	4.552	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NC)[C@H](CC(CC)CC)C1	167561489	RSVSKSXMIAGYSN-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1CC(C)(C)Cc1ccccc1	196595934	CATWRGMFSQMFJL-UHFFFAOYSA-N	238.374	4.806	0	10	BJAE	
Cc1ccc(F)cc1N[C@H]1CCCC[C@H]1C(C)C	214449397	STQFDCLQKPHSTH-GJZGRUSLSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@H]1CC[C@@H](C)C1	221670533	DTVFJEOVCJSBDM-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H]2CCC[C@H]2C)cc1	226524706	SFAHHGYOOOBHHC-CZUORRHYSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)C1CCCCCC1	226795728	UDVLOBCMHVPGPV-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](c1ccccc1)C(C)C	228145189	JAQHKCBRRKHTJG-UXLLHSPISA-N	247.426	4.798	0	10	BJAE	
CCCCC1CCC([C@H](NC)[C@@H](C)CC)CC1	228812790	ZWHUOIHXEALXAV-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H](C)CC2CC2)cc1	229676461	FPNWACFQXACFBS-QWHCGFSZSA-N	231.383	4.801	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[Si](C)(C)C	230926705	XQCSZXLCEPUJMD-CQSZACIVSA-N	243.511	4.519	0	10	BJAE	
CCCN[C@@H]([C@H]1CCCC[C@H]1CC)[C@H](C)CC	250388817	HGSLHEMZFFPFDD-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
Fc1cccc2c1NCC[C@@H]2C1CCCCCC1	257951440	MBJWSPDAODQILD-CYBMUJFWSA-N	247.357	4.695	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1CCCC1(C)C	300287566	YSBKJHWPBMKNQL-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CCC1CCCCC1)[C@@H](O)c1ccccc1	302299404	ZIIXWAHSANKULV-WMLDXEAASA-N	246.394	4.717	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(C[C@H](C)CC(C)C)CC1	302374886	OYBISABDLULOOH-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
C/C(=C\C1CCCCCCC1)CNC(C)(C)C	305900552	BCLPZBMVTZYVFQ-WYMLVPIESA-N	237.431	4.681	0	10	BJAE	
CCc1cc(NCCC2CCCCC2)ccc1C	305992803	JNZUZKXMWQKKLD-UHFFFAOYSA-N	245.410	4.940	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C1=CCCCCC1	309989204	GPQMVMPSXLUYJN-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](O)C2CCCCCC2)C1	310115730	GYUKXNMPNDPNJR-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@]1(CC2(CC)CCC2)CCCCCN1	310155982	QEWHTGHHSIZNKQ-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCC1=O)C1CCCCC1	310158017	KXTJNKMQDYVPBQ-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(CN)CCCCCC2)C1	310284231	ZIEVULNAFWYKPS-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@@H](C)CN[C@@H](c1ccccc1)C(C)C	310579523	ONBDLVMZKDDXMD-NVXWUHKLSA-N	247.426	4.656	0	10	BJAE	
C/C(=C\CCNCC(C)C)C1=CCCCCCC1	310601597	RMGYBPBSDSOAJX-KBKMDESFSA-N	249.442	4.849	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)CC1(C)CCC1	310898554	APCRCVBPCYXEKE-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC(C)(C)NCC1([C@@H]2C=CCCC2)CCCCC1	318619930	WKLGSCHFBJEBPE-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCCNCC1([C@H](C)CC)CCC(CC)CC1	318842011	YTWRJZZJRJHGLK-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(CNC(C)C)CCCCC1	319534597	FJLNFBJMMUNPFA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@H](CC)[C@H]1C[C@H]1C)c1ccccc1	322162712	KHLYIIBJJSETEE-XBVQOTNRSA-N	245.410	4.552	0	10	BJAE	
CCCCCC[C@@H](N)CC/C=C/c1ccccc1	324099991	CKGCDYNEMVUVPP-JZUUQJBKSA-N	245.410	4.778	0	10	BJAE	
CC(C)CNCCCCC/C=C/c1ccccc1	324136356	LFOFZLYEIPJMSW-YRNVUSSQSA-N	245.410	4.506	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1CCCC1(F)F	381482543	FRMYEEARNCUCHD-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](N)CCCCCCCC(C)C	383159956	IVMXQZKCCPSYJS-CQSZACIVSA-N	213.409	4.501	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCCC1(C)CCCC1	383513340	HCJXDCLYPWPSJY-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC1(CC(=O)C[C@@H](C)CC(C)(C)C)CCC1	383685298	PPGQWICIYBEXQV-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@H](C)C(C)C	384033949	TXJPUARSUOYYFB-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)CC(C)(C)C	384834360	GGOYYLJLLPFUJJ-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
Cc1cscc1NC[C@H](C)C1CCCCC1	387059140	ALKKGBJAHUXAAC-NSHDSACASA-N	237.412	4.685	0	10	BJAE	
CCOc1ccc(NCCCCCC(C)C)cc1	394858928	KAYKVNFAGWKVPK-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CC1CCC(CCN[C@H]2CCCC23CCC3)CC1	394861253	MAFUAPOLOJSFLU-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCc1cc2ccc(C(F)F)c(C)c2s1	396198314	JJNVFUNYYWTITI-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCOc1cc(C(F)F)c2sc(C)cc2c1	396248071	QXILGHDXAIKIDM-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
Cc1cc2cc(C(F)(F)F)c(S)cc2s1	396306049	PMNUFRWTWOZJHW-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC[C@H](C)c1csc(C[C@@H]2C[C@H]3CC[C@H]2C3)n1	397423710	BKAWETPKKFFBLC-CYDGBPFRSA-N	249.423	4.635	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)CCC1CCC1	398648811	ASBOYKNRVQZJIW-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CC=CCC2)C1	402189773	ZHGLKTZQBFQNQT-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@H](CCCC1CC1)NCCC	405700156	ANGVLUKASUIKRQ-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCC1(CNc2ccc(C3CCC3)cc2)CC1	687546467	QDPXGNBLBMDXRG-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
FC(F)c1cccc(NCCCC2CCC2)c1	688381422	JIOKNQIEPRWLGY-UHFFFAOYSA-N	239.309	4.616	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@H]1CC[C@H](C)C1	688941089	VYLIXJWLLGGXNY-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCCC(F)F)NCCC	689057565	KJRZDCKNJSWNPR-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCCCC[C@H]1CC	691172183	XUHIYOSCEPWTKD-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC[C@H]1C	691187334	OTXDYCVQJVEBDF-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)CC2CC=CC2)CC1	692061948	SRTYFCKUDWSVDI-UYSNPLJNSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)[C@H]1CCCC1(C)C	692107148	RISQKBIKDSBCMD-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H](C)C2CCC2)c1C	692692381	IFUVWSATDGBMRR-CQSZACIVSA-N	244.378	4.539	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC[C@@H](C)c1ccccc1	695098693	MYKORUXDURFRDQ-CABCVRRESA-N	247.426	4.595	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCC3(CC3)C2)CC1	695716678	MVXGKCCWIHCUMX-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C(CC)CC	696267692	PPWWRSOMZXLXOB-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@H]1CCCC[C@H]1C	704854699	NVOXJZWNMWYARX-PVAVHDDUSA-N	246.394	4.501	0	10	BJAE	
C[C@@H]1C[C@H](NCC[C@@H]2CC=CCC2)CC(C)(C)C1	706868391	LPIMJESSJKDGEP-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCC[C@@H]1CC=CCC1	706880303	KOOQJJPGYHJXAR-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCNCC/C=C(\C)C[C@H](C)CC(C)(C)C	709089372	SUUPOIFIGYFTKW-HNRFISLBSA-N	239.447	4.785	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@@H](C)CC(C)C	709177978	PKSYTSOHQPANMR-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1=C[C@H](N)CC(C)(C)C1)CC(C)(C)C	709184891	HORXLJDSBLNWFQ-OCCSQVGLSA-N	237.431	4.523	0	10	BJAE	
C[C@H]1C[C@](O)(C[C@H](C)CC(C)(C)C)CC[C@H]1C	709263062	VRYQZOCNAGJNOE-HGTKMLMNSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@@H]1C[C@@H](C)C(C)(C)C	711155327	DMOLMYXENANUGJ-XJKCOSOUSA-N	245.410	4.732	0	10	BJAE	
CC(C)C(C)(C)CC[C@H]1CCc2ccccc2N1	713176023	TVSBVWUHCFLCMW-OAHLLOKOSA-N	245.410	4.876	0	10	BJAE	
CC(C)C(C)(C)C[C@@H]1CCc2ccccc2C1=O	713304952	QYKNNJRTVVCZNU-AWEZNQCLSA-N	244.378	4.504	0	10	BJAE	
C=C/C=C/CC[C@@H](NCC)c1cc(C)c(C)s1	713689204	YEHQJKMERFNDLY-HSBSLETESA-N	249.423	4.538	0	10	BJAE	
C[C@H]1CCCC[C@@H]1c1nc2cccc(Cl)c2[nH]1	714409345	GQTOATRTGLQKJN-UWVGGRQHSA-N	248.757	4.510	0	10	BJAE	
C(CCC1CC1)CNC1CCC(C2CCC2)CC1	716378269	JRUJVCRQHUNDIJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC(C)(C)CC1=O	717437010	GUFXNWSSNGSJGF-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCCCC1(CNCCC)CCC=CCC1	718133618	IWYONXYOYMRBDY-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC[C@H](NCCC(C)=C(C)C)C1CCCCC1	718518131	GHGHODSPHJGFBF-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CCCc1nc2ccccc2s1	718671229	WTHFKXXNTXUJFE-UHFFFAOYSA-N	245.391	4.975	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1ccsc1Cl	718699607	LJCLVWCMCCVUSZ-LLVKDONJSA-N	244.787	4.571	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CCCCCC1(C)C	719200712	XYFIKTIPWJYHSU-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1Nc1ccc(C2CC2)cc1	821906480	VGUKGGNJNHTWHS-IGCXYCKISA-N	243.394	4.801	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(C)c(OC)c1	821910014	VEMJURGLNLIIEL-TZMCWYRMSA-N	249.398	4.630	0	10	BJAE	
FC(F)=C1c2ccccc2C=Cc2ccccc21	1088659714	OQTHWSHOUDUDFZ-UHFFFAOYSA-N	240.252	4.826	0	10	BJAE	
CC(C)CCC[C@@H](C)NCC[C@@H]1CC=CCC1	1659836903	VSDDSGBLGSSRTJ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(CCCC(C)C)ccc1Cl	1889470206	LYKHVUVWXKPVNM-UHFFFAOYSA-N	210.748	4.627	0	10	BJAE	
CCC(C)=CC[C@](C)(CC)CNC(C)(C)C	1900823515	SBRRQTWDHKMBPG-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCc1cscc1N[C@@H]1C[C@@H](C)CC[C@H]1C	1902377572	VUHOPNKOIVBIRI-DMDPSCGWSA-N	237.412	4.547	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H](CC)CCC)NC	1905455277	YXRDQUALSQXYPI-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@](C)(CCC[C@@H]1C[C@@H]1C)CNCC	1908577047	FYTAWPXVIBELLM-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC=CCN[C@@H]1CCCC[C@@H]1C1CCCCC1	1911836985	ZUIMIKJVLLQDTA-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](CNC2CC3(CCCCC3)C2)C1	1912707356	CVBAWGYWSVBWJS-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCN[C@@H]2CCC3(CCCC3)C2)CC1	1916428817	AKSREWDWLMXOPN-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@@](O)(CC)c1cc2cc(C)ccc2o1	1919478435	JNSLGVUEDOROAO-INIZCTEOSA-N	246.350	4.529	0	10	BJAE	
CCCCCC[C@@](C)(O)Cc1ccccc1CC	1919976417	WMZQASURWSVJKW-QGZVFWFLSA-N	248.410	4.513	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)CCCCCC1CC1	1920200197	CGGQZOJMHBOYAG-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCC1CC(C(=O)CCCC(C)(C)C)C1	1921260384	XJVPGDWDTGRHOS-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC1(Cn2ccnc2C2CCCCC2)CCC1	1923567704	MUNSIQVLBPBKGK-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
C[C@](CN)(CC1CCCCC1)C1CCCCC1	1924099379	KELDIWZUFOWXGJ-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCC(C)(CC)[C@H](NC)[C@H](C)C1CCCCC1	1924130448	OOWNCMDXXWPYRD-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)Cc1ccc(C(=O)CC2CC(C)C2)cc1	1925129895	IPEWJROUNCVXQG-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@H]2C=CCCCC2)CC1	1925904512	XPZFZPVJBPZYCL-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1NC[C@H]1C=CCCCC1	1925943051	PECHYPZZNJSFQZ-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@@H](O)Cc1ccccc1C(C)C	1926387189	SRZVUKFROWUIIW-MRXNPFEDSA-N	248.410	4.540	0	10	BJAE	
Cc1cc(NCc2ccccc2)c(C)cc1Cl	1933592563	SXCCVHAGBORURW-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H](C)C(C(C)C)C(C)C	1940245471	KFDWAVJYKMCJFO-LSDHHAIUSA-N	241.463	4.717	0	10	BJAE	
CC1(CCC[C@H](O)[C@@H]2CCCCC2(C)C)CC1	1940873930	CXRWEHPYPZNGEI-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H](CCC)C(C)C	1941264316	QYIMXPCFEHVGOH-XHSDSOJGSA-N	241.463	4.993	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CC1(C)CCCCC1	1941271248	COFQMFDVGVXIFC-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCCNCC1(C[C@H](C)CCC)CC(C)(C)C1	1941976893	OXJKJHJXMHRBLR-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(N[C@@H](C)C(C(C)C)C(C)C)C(C)C	1942787585	KWSMWZVNOURVMI-AWEZNQCLSA-N	241.463	4.573	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](O)CC1CCCCCC1	1944839624	LPWXTUKNCLIOFS-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](CN)CC[C@H](C)C1CCCCC1	1945764064	WTVPEIKMAVXLTG-LSDHHAIUSA-N	239.447	4.604	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1C=CCCC1)NCC	1947590824	ZGVZUYYBGMEQEP-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)N[C@H]1C[C@@H]2CCCCC[C@@H]2C1	1947854881	BYRVDWGCISJDJO-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCCC12CCC2	1947879242	BINWVNDGLGKPPN-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CC(C)(C)C1CCC(C[C@H](N)C(C)(C)C)CC1	1948919078	KOPGBVMYCOWOER-RUXDESIVSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)CC(C)(C)CC(F)F	1949014295	AYYULYMTPZCJHX-AWEZNQCLSA-N	249.389	4.602	0	10	BJAE	
CCC(C)(CC)[C@]1(N)C[C@H](C)CC[C@H]1C(C)C	1949088514	WSVRJGSKTCANGR-YCPHGPKFSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)CC[C@@H](CC1CCCC1)NCC	1949870865	RYOUWVJRNBAEDX-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C[C@@H](O)CC1CCCCC1	1949906386	CWCBZDRWVZBKIO-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1ccc(C2(C)CC2)cc1	1967841436	GDOMDQVBMBEDNR-ZDUSSCGKSA-N	243.394	4.729	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2CCCC3(CCCC3)C2)C1	1967856103	QHTIOCQXADTWCR-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1CC2(CCCCC2)C1	1968859473	OLCLUOLAHANXAD-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC[C@@](O)(CCC(C)(C)C)C1CCCCC1	1975957449	KEJLZHSLHSIYGO-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)C[C@](N)(CC)C1CCCCC1	1975998850	RLAQQPAAUQXBRA-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@](C)(CN)CCCCCC(C)C	1978628497	AGCPSBGKYNWOQX-HNNXBMFYSA-N	227.436	4.748	0	10	BJAE	
C[C@H](Nc1ccsc1)[C@@H]1CCCC(C)(C)C1	1980287794	XFSNPYODNRAMRW-NWDGAFQWSA-N	237.412	4.765	0	10	BJAE	
CCc1cc(C)sc1C(=O)C(C)(CC)CC	1985605454	IQCWMYKLYCOZPA-UHFFFAOYSA-N	238.396	4.628	0	10	BJAE	
CC(C)=C(C)Cn1ccc2cc(Cl)ccc21	1989652132	RIIMILWXZCSTJR-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
CC(C)CCCCCN(C)[C@H](C)C(C)(C)C	1990849055	LZBPWSRCQISZHI-CQSZACIVSA-N	227.436	4.569	0	10	BJAE	
C[C@@H]1CC[C@@H](c2nc(C3CCCC3)cs2)C1	1995498904	VOKKHNGRGGPRJL-ZYHUDNBSSA-N	235.396	4.704	0	10	BJAE	
C[C@H]1CC[C@H](Cn2ccc3cccc(Cl)c32)C1	1996232295	ODWCHQIVFCQLLL-RYUDHWBXSA-N	247.769	4.731	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@@H]1CCCC[C@@H]1C	1996590574	WPYRCVDUOXCEQR-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@@H]1CCC[C@H](CC)CC1	1997106073	RFXNOWVZPDQARR-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CC[C@@H](C)C2)CC1	1997106731	XFZINMIVCMRBHJ-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](NCCC(C)=C(C)C)CC1	1997190685	HWRBIACILDHTLT-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC1(CN[C@]2(C)CCCCC2(C)C)CCCC1	1997426292	MCPMEGSWXJXWFY-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@@H](C)C1CC1	2000511536	QKMJRGOMWJEJOT-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](C)(CCC(C)(C)C)CNC1CC1	2000516827	YFBDFUFWCLOFLL-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C[C@H]1CCC12CCC2	2001854680	OZLMPEGZKCPTPX-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002221002	PGFXFWVIUNTEJH-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](C)NCC1(C2CCC2)CC1	2004533944	DSYWYECBDOPOEQ-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@H](Nc1ccc(C2CC2)cc1)C1(C)CCC1	2004840741	RBGLLDZUTOKARB-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@H](CCCCCC(C)C)C1	2006633155	XSJDPSZKMLFLKQ-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@H](N)CC1CC(C2CCC2)C1	2007753159	BNUOSXCGULQNRQ-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)C=C1CCCCC1	2007919967	HTFWTZZFDNRCRH-MRXNPFEDSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@H](CC)CC(C)C	2007944359	PSHBVLSMZUGHDQ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)C[C@@H](C)C(F)F	2008583776	VOWWQWPGTADMMI-MBNYWOFBSA-N	249.389	4.602	0	10	BJAE	
C/C=C/CCCN(C)C1CCCCCCCC1	2009573053	SMDHQAFKEVYPLP-ONEGZZNKSA-N	237.431	4.778	0	10	BJAE	
CC=CCCCC(CC)(CC)CNCC(C)C	2009616762	LUUGLIAACNFTJV-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCC)CCC[C@@H](C)C1	2009630423	WRDRRTUAWNPNTR-RKIWFNSJSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc(CC2CC(=C3CCC3)C2)cc1F	2011087374	OGIIZTOJVIWXFU-UHFFFAOYSA-N	230.326	4.567	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)CCC1CCCCC1	2014901347	PVZSSYKYEOYTIX-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)C1(C)CCCCC1	2015282504	WANUKMZUHWZSBP-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)CN(C)[C@@H](C)C1(C)CCCCC1	2015331857	FROOLOWOTWLQGY-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCC(C)(CC)CNCCC(C(C)C)C(C)C	2015347898	SJEMGBDFTQESBI-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CC(C)C1(C[C@](C)(O)CCC(C)(C)C)CCC1	2017113297	YARTXFRQPFAYNA-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@H]1CC[C@H](C)CC1)NCC	2017724785	OGZPPUSSQHJKPO-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@H](N)CCCC2CC2)CC1	2017728659	NVTLYKBTARCVSP-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](C)CCNCC)CC1	2017738425	ORDSOVPLCGHPIV-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@@H]1C[C@H]2CC[C@H]1C2	2018130801	PPVURHUPEXQAFY-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)N(C)CC1(F)CCCCC1	2018183958	DBYLPNZKICBDKO-CQSZACIVSA-N	243.410	4.559	0	10	BJAE	
CCC(C)(CC)CN(C)[C@@H]1CC[C@@H](C)[C@@H](C)C1	2019121054	DOHDIRJSGGEKLG-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N(CC(C)C)CC(C)C	2019201418	SHXSTDGGKVAKRN-HOTGVXAUSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](C)[C@@H](C)N(C)C[C@H]1CC[C@H](CC)CC1	2019387587	WDQVKNDZFMEHPK-KLHDSHLOSA-N	239.447	4.569	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)C[C@@H]1CCCC(C)(C)C1	2024097174	XCABVPQDPZBOHJ-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1CCCC(C)(C)C1	2024128899	QKQUIERWSLWPOL-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@@H](C(C)C)C2)c(C)c1	2025571626	DGQJEZDNAWBJIB-HUUCEWRRSA-N	231.383	4.540	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1C[C@H]2CCC[C@H]1C2	2026234723	DCXATUOZYCDEIE-HUBLWGQQSA-N	249.785	4.639	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3CC[C@@H]32)CC1	2027964351	MLZFENNVXRKAFN-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@H](N)[C@@H]2C[C@H]3CCCC[C@@H]32)CCCCC1	2028759142	FCELNWWZAALFNP-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC(=CC1C[C@H](C)C[C@@H](C)C1)c1ccc(N)cc1	2031802639	ZCDJIWFMGNWRNG-CHWSQXEVSA-N	243.394	4.744	0	10	BJAE	
Cc1cc(C)c2[nH]c3c(c2c1)[C@H]1CCCC[C@H]1C3	2034150190	VFNWSNOARZVUGB-STQMWFEESA-N	239.362	4.615	0	10	BJAE	
Cc1cccc2cc([C@@H](N)CCCC(C)C)oc12	2037090392	PCIDZZYXIHFIES-AWEZNQCLSA-N	245.366	4.567	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@H]2CCC[C@H](C)C2)c1	2037143250	QDHHDDGZGZRLLD-JLJPHGGASA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@@H]1CCC2(CCCC2)C1	2037674654	GUHSVHRRXULAQJ-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(CC2CC3(CCC3)C2)C1	2038090362	QWXYULHTBLPHLD-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)[C@H]1CC12CCCCC2	2039081058	GOQRPBHWDGIQDE-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2CC3(CCC3)C2)CC1	2039379047	ZCAZGDZVMYUKEZ-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCCC12CCC(CC1)C2	2039414018	XHDKTDHFMXRQSD-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CC23CCC(CC2)C3)C[C@H]1C	2039422889	YEIUOIJPXHDDSD-XDFMGDNLSA-N	248.410	4.598	0	10	BJAE	
C[C@H](NC[C@@]12CCCC[C@@H]1C2)C1(C)CCCCC1	2039861342	DPHZZOJQAPZLCK-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC[C@@H]2C=CCCC2)CC1	2041541751	SOOUKDZYWJXTAG-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@@H]1C)[C@@]1(C)CC=CCC1	2042022306	PRYKHRMRJPLVRK-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H](NC[C@]2(C)CC=CCC2)CC(C)(C)C1	2042071816	KDYYBFBJNIOTLO-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(N)C1CC2(CCC2)C1	2043541500	SSYABCOMYRWXOF-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCCc1ccc(N2CCCCC2)cc1	2044813636	YHFHJYIKIOCUNZ-UHFFFAOYSA-N	243.394	4.576	0	10	BJAE	
CN(CCCC1CCC1)C[C@H]1CCC=CCCC1	2045314152	HLGJPFAVEWSJHB-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CC(C)c1ccc(CC(=O)CCCC2CC2)cc1	2045606856	ILVGFSNBYZNVMW-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC(C)NC[C@@H]1CC12CCC1(CCCCC1)CC2	2045661596	WLVFQMZICUCVAA-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1NCC1(CF)CCC1	2046891640	NZEDFXNBUHHHFG-UHFFFAOYSA-N	249.373	4.536	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047435939	ARXUHQVYVMPVOC-JSRQGNBESA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1[C@H](C)[C@H]1[C@]1(N)CCCCC12CCCCC2	2047563064	XOBGWUVAHMBCIV-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
NC1(C[C@@H]2[C@H]3CCCC[C@H]32)CCCCCCCC1	2049676845	XGCPWETYRYVFBP-ZSHCYNCHSA-N	249.442	4.645	0	10	BJAE	
CCCc1cccc(C(=O)CC2(C)CCCC2)c1	2049788692	NOLGTARHRMHJBL-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CC[C@@](N)(C[C@H]1CCCC2(CC2)C1)C1CCCC1	2049860699	BWDAHYHQPNCMLG-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@@]1(C)C=CCCC1	2049995608	AOLHZNLESQLTKI-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NCC1(C)CC(C)(C)C1	2050114509	BQTGBFOLRJUFJG-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(CC(=O)c2ccccc2F)CC1	2050494852	NDEPQHMPIULNMK-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1Nc1ccc(CF)cc1	2055677707	JVAYBQVDFKVEOI-IUODEOHRSA-N	249.373	4.783	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCC3(CC3)CC2)cc1	2056539873	RAANUMCSEMXEGM-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H]1CCCC(C)(C)C1	2056873510	OBMIRCHMUKZEBX-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@](CCC2(C)CC2)(CNC2CC2)C1	2059180201	IPCRMYVJYLFLIP-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCC	2059225656	PFWGTOKWHZPHIJ-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H]1CCCC12CCC2	2059225785	RADPCYHBVQCZOO-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1(CCC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1	2059246190	ZROHSCVILLUPLA-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@@H](NC)c1cccc(C2CC2)c1	2059266904	KEQMPRHTDTZREC-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)C1(C)CCCC1	2060922406	RISRCRMCESKIEP-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CCC1CC([C@@H](N)C2=CC[C@@H](C(C)(C)C)CC2)C1	2061099982	SXJZTXZPRFJKQN-GDVJOBBMSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H]1CC=C([C@](C)(N)C2CCCCC2)CC1	2061119444	PFHVBZVRFWMBKW-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@@]12CCC[C@@H]1C2	2061618005	SFBFDZZASRTOCA-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
C1=C(CCN[C@@H]2CCCCCC23CC3)CCCC1	2062016912	KWEZCAQDOKFJQH-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC1C[C@@H]2CCC[C@H]2C1	2063498210	XMWGZNBBVXUIBN-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
CC=CCCNC1CCC2(CCCCCC2)CC1	2065892975	SJFFKLBAKJYWTJ-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CCCC2)[C@H]1CCC1(C)C	2068344119	VBJLMWBJKLGMNI-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068698349	JIKVILYLJZBQMM-XOUADPBQSA-N	248.410	4.598	0	10	BJAE	
CC(C)C(CCNC1CC(=C2CCC2)C1)C(C)C	2068947868	FMWXVFABLJQJPQ-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@H](C[C@]23CCC[C@@H]2C3)NC)CCC1	2069343398	ZJEYCDGIRBPDJW-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1ccc2ccccc2c1	2071471615	NDGFPNACCVBRAI-CJNGLKHVSA-N	239.362	4.688	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)c2cc(C)c(C)o2)CC1	2072700983	SOUSWEYUNSSYJH-IIAWOOMASA-N	249.398	4.503	0	10	BJAE	
CCCOc1ccc(N[C@@H](C)C(C)(C)CC)cc1	2072833303	QJGQWGAXIWIDOG-ZDUSSCGKSA-N	249.398	4.712	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@@]12CCCC[C@@H]1C2	2074028182	FZRZHGIHYFZXBH-HYVNUMGLSA-N	249.442	4.502	0	10	BJAE	
O=C(CC[C@@]12CCCC[C@H]1C2)CC1CCCCC1	2074051053	NNCDTLOBFSXDNA-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@]12CCCC[C@@H]1C2	2074093732	HGIMGKIUUPFOIV-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCC2(CC1)CC(O)(CC1=CCCC1)C2	2075720174	GPFNWYLKRCMTDJ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1ccccc1C1CCC1	2077263990	HQOPJAYQTYZUCH-CJNGLKHVSA-N	243.394	4.945	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CNc1ccc(C(C)(C)C)cc1	2079622109	ZJLFREVXRINXHY-CZUORRHYSA-N	245.410	4.688	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCC1	2079866163	QNFSKLJUFVJBFS-UGUYLWEFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C[C@H]1C1CCCC1)C1CCC1	2079883127	DATORXVTPWHHBK-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(OCC(F)=C2CCC2)cc1	2081595606	XVJYMHSXOBLJGP-LBPRGKRZSA-N	248.341	4.986	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H]1CCCNC12CCCCC2	2083815607	HYIWRGQKHVXBJW-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1C[C@H]2CCC[C@H]1C2)C1(C)CCCCC1	2086159518	XHRGHRGPNAZGLG-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(Cl)ccc1NCC[C@@H](C)CC	2212642960	GCHVEPVMECAJMQ-NSHDSACASA-N	239.790	4.751	0	10	BJAE	
CCCCCN1CCCC12CCC(C)(C)CC2	2213115994	QUEZZFRJMAZWTQ-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
C/C=C/CCCc1ccc(OC)c(C(C)C)c1	2213140728	SELSPXBAPNJYQZ-AATRIKPKSA-N	232.367	4.717	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@H](N)CCCCCCC1CC1	2213574321	RWPWAEDJSSJRFY-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
Cc1csc(C(=O)CC[C@@]23CCC[C@H]2C3)c1C	2213649471	FJDXDNMFPQZLGM-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
CCCc1ccccc1OCCCCC1CC1	2214576074	ACCPZQIXYOVFGN-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)[C@@H]1CCCC(C)(C)CC1	2215338438	GBOCJAGHNIIOKC-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)[C@@H](CC1(C)CC(C)(C)C1)NCC	2215401109	MOPFLCLRVZAZOA-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@H](NCCCCCCCC1CC1)C1(C)CC1	2216862715	ZNFBSSVELHJZBL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCN[C@H](CCCCCCCC2CC2)C1	2216862802	MBARGIXPGMJAIM-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)[C@@H](O)CCCCCCCC1CC1	2216891965	CETXLTAZVVOSQM-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCCCCC1(CNC2CCC2)CCCC1	2217154700	WIHHGXAQSHHDNP-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
C[C@](N)(CCC1CC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218362082	SXEDXQOANLUQSS-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)C/C=C/c1ccccc1	2219081639	JIFBAKWXRPHLQE-NOPRJXFKSA-N	245.410	4.504	0	10	BJAE	
CCC[C@@](N)(CC=Cc1ccccc1)C(C)(C)C	2219092188	DRJDJXXNMVGIML-QGZVFWFLSA-N	245.410	4.634	0	10	BJAE	
N[C@@H](CCCCC1CC1)[C@H]1CCCCC12CCC2	2220043335	CIWALKABFXLONI-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2220959319	KJPBFZLNAODXON-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@H](CNCCC2CCCCCC2)CC1	2221665440	FUKBPIZEOKFTBF-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1C[C@@H]1C(=O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222950505	XNSVDKCSGYGOFY-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(=CCCCCCCC2CC2)[C@@H](C)CN1	2223121421	IYMPLQFPCCTTAX-LSDHHAIUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCCCCCC1CC1)[C@@]12CC[C@H]1C2	2223133925	BDKWDFMORYYPNJ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@H]1C[C@H]1C1CC1	2223157584	GWLPAOZXDSRGRH-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@@](O)(CC)c1ccc2occc2c1	2224130249	DAHOLNFCNJAFSQ-INIZCTEOSA-N	246.350	4.611	0	10	BJAE	
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CCCCCC[C@H](NCC)[C@]12CCC[C@@H]1CC2	2251103966	KISGYHOHYHDYDK-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
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CCC1([C@@H](N)CC[C@H]2CCCCC23CC3)CCC1	2253875476	QZRMCMLKIBMHNH-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CC1(C)NCC[C@@H]1CCC[C@H]1CCCCC12CC2	2253891035	UVEFNIGKCFTQKT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
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C[C@H](C(=O)CCCC[C@H]1C[C@H]1C)c1ccccc1	2254603833	FELJZFUNQVFFLZ-YCPHGPKFSA-N	244.378	4.576	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)[C@]1(C)CC=C(C)CC1	2255065211	VDGBPCRYANIPNI-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1CC[C@](N)(CC[C@@H]2CCCC23CC3)[C@H](C)C1	2255224836	JTIRMBNRVREZFW-AIANPOQGSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1N[C@H](C)[C@H]1CCC1(C)C	2256145520	YVABHSNNWWFNFP-DGCLKSJQSA-N	249.373	4.625	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)CC[C@H]2CC[C@H]1C2	2257312277	RFNAQSCBZPMSPM-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC1(CNC[C@@]23CCCC[C@H]2CC3)CCCCC1	2260528031	QGUQPGZXQQHNRW-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
C[C@H](C[C@]12CCCC[C@@H]1CC2)[C@H]1CC[C@@H](N)CC1	2260589271	XGPSMYBQAUQOOK-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)NCC1(C[C@]23CCC[C@@H]2CC3)CCC1	2260652352	QXNDAPIHTVZIBR-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@H](CNc2cccc(C3CCCC3)c2)CC1	2260726849	HQWOXJYTHQQGQD-AWEZNQCLSA-N	241.378	4.722	0	10	BJAE	
CCC1(C)CCC(O)([C@@H](C)CC2CCC2)CC1	2298855473	UNSWGJRMCFRIRD-JEYLPNPQSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCCC[C@H](N)c1ccccc1	2300676014	KHZROMBSFLHAIP-INIZCTEOSA-N	233.399	4.683	0	10	BJAE	
CC(=CC[C@@]1(O)CC[C@@H](C)C1)CCCC(C)C	2300913036	AEMCRMNFZBLBNF-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC(=CC[C@](C)(N)[C@H]1C[C@@H]1C)CCCC(C)C	2300925625	DWHFXCARIHLCHG-JYJNAYRXSA-N	237.431	4.523	0	10	BJAE	
O[C@H](CCC1CCCCCC1)CC1CCCC1	2301134820	CQBFXHQLYOHSSY-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)CC1CCCCCC1	2301143860	XUOIFWOOXXYJRL-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C(=O)CC[C@H]1CCC(C)(C)C1)C(C)C	2304437084	VRQDVBPOGDQMBR-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1CCC2(CC1)CC2	2307835562	RJJWUPPIPULWJP-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CC1(CN[C@H]2C[C@@H]3CCC[C@@H]32)CCCCCCC1	2309540754	ZUKTZCARFNCIFB-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H]2CC[C@@H]3C[C@H]23)CC1	2311021614	XBPRAYQTKNKMKY-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311609778	OQSWWQAUPFIZAO-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2312425937	ITAIVQUNVRTZCN-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@](N)(C[C@@]23CCCC[C@@H]2CC3)CC[C@H]1C	2313353338	MJFLUKYRNUQABU-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CC1)C(=O)c1ccc(C2CCC2)cc1	2313704938	OVMYAVBUGVUPFE-GFCCVEGCSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCC[C@H](CCC23CCC(CC2)CC3)N1	2315473902	QRILTBKZOYJPLM-JCCCHCCOSA-N	249.442	4.658	0	10	BJAE	
CC(=CC[C@@H](N)C1CC2(CC2)C1)CCCC(C)C	2316502950	NNNCZRVKADRZLZ-MRXNPFEDSA-N	249.442	4.667	0	10	BJAE	
CCC(C)=CC[C@@H](NC)c1cc(C)c(C)cc1C	2316504077	SOJMRJLVDVPCCR-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CCn1ccnc1CCC=C(C)CCCC(C)C	2316564849	NAGUSFXAZIIMHI-UHFFFAOYSA-N	248.414	4.608	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1(CC2CC2)CCC1	2316870784	ULCNWGZKFGURDT-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C1(C2CC2)CCCC1	2316886206	PYYYMWZSBNDVFP-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c([C@H](O)[C@H](C)[C@H](C)C(C)C)cc1C	2317857445	CWSCJWWTUDFBQF-BFYDXBDKSA-N	248.410	4.573	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C[C@@H]1C=CCCCC1	2317906730	JZMGYIKCAZCBJH-SJORKVTESA-N	247.426	4.731	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1cccc2c1CCCC2	2317995952	VMMPMAUADUIYCW-KGLIPLIRSA-N	245.410	4.658	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)C1(C)CC=CC1	2318589601	SGSCKVXUFUVHQH-INIZCTEOSA-N	247.426	4.601	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@H]2CCC(C)(C)C2)C1	2319129261	PCKBTPKROBZSSL-NWANDNLSSA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)C[C@@H](C)CC[C@@H]2C)CC1	2320328495	PUWJOZGMVXNVTC-KKBVYLPWSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCCCN1C[C@H]1CCC(C)=C(C)C1	2320400675	ZZDQTTFAZYXPNF-DLBZAZTESA-N	249.442	4.778	0	10	BJAE	
CCOc1ccccc1N[C@@H](CC)C[C@H](C)CC	21513299	CHLUXHCBCMOMIE-KGLIPLIRSA-N	249.398	4.712	0	10	BJAE	
CCCN[C@H](c1sccc1C)[C@H](C)CCC	42730278	LISQZEYJMRNTFS-YPMHNXCESA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc(F)c(C)c1	68987675	ACHNSFVMRUMAGC-LBPRGKRZSA-N	223.335	4.515	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)c1cc(C)ccc1C	69375174	VOUGJVMXWZXUAM-JKSUJKDBSA-N	247.426	4.923	0	10	BJAE	
CC[C@H](CC1CC1)NC(CC(C)C)CC(C)C	70105397	XEVUPGHKYIJELF-OAHLLOKOSA-N	239.447	4.616	0	10	BJAE	
CCc1cccc(N[C@@H]2CCCC[C@@H]2CC)c1	70977670	LUJDTJKDJHXTSX-GOEBONIOSA-N	231.383	4.630	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H]2CCC[C@@H](CC)C2)C1	85064191	XLGNEUAVUMGGKN-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCC1CCC([C@@H](O)c2cc(C)ccc2C)CC1	85077691	ONTOOXATGIJRDR-VMBOVVBDSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CCC(F)(F)F	86979532	BACDQSWGXACEJD-SNVBAGLBSA-N	238.293	4.505	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@H](CC)CCCC	87649087	UGALIDHAHOXACY-GJZGRUSLSA-N	228.420	4.924	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)C1CCCCCCC1	87690236	OZLMAAYVPCQKJM-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C2CCC(C)(C)CC2)C1	87940981	PHEKIXILRMQPIX-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](NCC)c1cc2ccc(C)c(C)c2o1	88074344	QDXNWNNJGVCJFD-CQSZACIVSA-N	245.366	4.500	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1cc(C)c(C)cc1C	93074087	JZTQOSAGAYBIDP-QGZVFWFLSA-N	247.426	4.841	0	10	BJAE	
CCCCc1ccc([C@H](NC)C(C)(C)CC)cc1	104016086	JSOJUAXAQFMUEQ-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCCCC[C@H](NC)c1cc2cccc(C)c2o1	129167261	DDSWPRZSHHVMJB-AWEZNQCLSA-N	245.366	4.582	0	10	BJAE	
CCCNC[C@@H](CC[C@@H](C)CC)c1ccccc1	155724204	QGITZBJMDSBYHN-DOTOQJQBSA-N	247.426	4.596	0	10	BJAE	
CC(C)CCC(=O)CC12CC3CC(CC(C3)C1)C2	164735709	LPRFGZGEQPGYOT-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccc(C(C)(C)C)cc1	165061377	RKLHVOGMQCZDGX-CYBMUJFWSA-N	246.394	4.993	0	10	BJAE	
Cc1ccsc1[C@H](C)Nc1c(C)cccc1F	224944612	TWUVYAHPQNREHZ-NSHDSACASA-N	249.354	4.677	0	10	BJAE	
CCCC[C@H](CCC)NC1C[C@H](C)C[C@@H](C)C1	225977436	LXTDTAOMWYJNFY-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CCC)Nc1nc(C)c(C)s1	226091512	ZOQGZYHOJABEGC-LBPRGKRZSA-N	240.416	4.531	0	10	BJAE	
CCCC[C@@H](CC)COc1ccc(C)c(F)c1	226438973	QAWJLYLQNVJTKN-CYBMUJFWSA-N	238.346	4.729	0	10	BJAE	
CCC(CC)[C@H](NC)C1(CC(C)C)CCCC1	228686918	LIYORWJAVOSIAI-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC1(C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)CCCC1	229190764	BXLYFEAVZLQCRK-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](C)[C@H]1CNc2c(F)cccc21	232980219	HMDWWZKFVLRQTJ-WCQYABFASA-N	235.346	4.551	0	10	BJAE	
Cc1ccc([C@H](O)CCC(C)(C)C)c(Cl)c1	235757461	RVFWNNHDDCBWBF-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC[C@H](C)C(C)C)CC1	251271700	DBVUQQZLDVYTNX-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@H]1CC(C)=C[C@H](C)C1	300079357	TXMXJPUVZKQCOO-SVGFKBNWSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H](C)n1ccc2cc(Cl)ccc21	304427017	KNBUTECHXKVRET-LLVKDONJSA-N	235.758	4.902	0	10	BJAE	
Cc1ccc2c(ccn2CCC2CCCC2)c1	305934450	KLWSBUWEXSXDJT-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CSc1cc(Cl)cc2cc(C)sc12	306784608	SHHIRLVEBHPFSW-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
Fc1sc2ccc(Cl)cc2c1C(F)F	307448686	MDSAQCFLHDEEBB-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCOc1ccc2c(Cl)c(Cl)sc2c1	307542803	ARGILODBSSXBHZ-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCc1ccc(Cl)c2c(CC)csc12	307665089	AOSXOSOHCAJGJI-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1C=CCCCCC1	310061047	IFSRINIEHJDZFD-CYBMUJFWSA-N	249.785	4.949	0	10	BJAE	
CCc1cc(NC[C@H](C)CC(C)C)ccc1C	310071773	XSKSVQGTDMQRGI-CYBMUJFWSA-N	233.399	4.652	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)CC1(C)CCC1	310100002	BBIIPLDKKYNHHP-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](O)C2(C)CCCCC2)C1	310473572	CBGDDNQGTRDWET-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCNCC1(CCC(C)(C)C)CCCCCC1	317285179	QAYZWPQZYYRCPL-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCNCC1([C@H]2C=CCCC2)CCC(C)(C)CC1	317767721	WXKMGWWDWPEECW-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@@H](C)[C@@H](C)CC	319580743	SNBLABIYCRBZLZ-OFQRWUPVSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1Cl)C1CCC1	322419721	YRHNUBBGEZXAAZ-GFCCVEGCSA-N	237.774	4.639	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCCC12CCCC2	328164195	ITAYGTXXBKBPOC-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC[C@H](C)NC[C@@H](C)C1CCCCC1	379928174	TUPVUMHFADEQSS-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC1(Cc2ccc3c(c2)CC[C@H](C)N3)CCC1	381293878	YDPBHUXQFCFTMD-ZDUSSCGKSA-N	243.394	4.556	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NCCCCCC(C)C	383254503	KVNZVJQFNZHKNH-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC[C@H]2CCC[C@@H]2N1	383412271	XIIQPHHEIIVJRN-OAGGEKHMSA-N	237.431	4.514	0	10	BJAE	
CN[C@@H](C)CC(C)(C)C[C@H](C)C1CCCCC1	383992093	LSLRHRYOHVLSJZ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)CC(C)(C)C)CC1	384400427	CKFJCSISWYGLLV-KFWWJZLASA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)CNCC(C)(C)C1CCC1	384964411	OAJJXTRCPWSSBG-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)[C@H](C)C(C)C	385824604	SDGUJDVTBXMKGT-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC1(NC[C@H]2CC(C)=C[C@H](C)C2)CCCCC1	389645060	OGJOEOAKNDJLHS-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@@H](CC(C)C)CC1(C)CCCC1	393826282	DRYKHXUYJJFGIA-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCCNCCCCCC1CCCCCC1	394573775	NQSFKZJUYWNPKF-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
CCc1ccc(C(=O)CCC2=CCCCC2)s1	395055067	DIYPLTRAXVQYOJ-UHFFFAOYSA-N	248.391	4.774	0	10	BJAE	
CCC(CC)[C@@H](C)NCCCC1CCCCC1	395238767	UPEBCOSROGPUQG-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CSc1cc(C(F)F)c2scc(F)c2c1	396231886	BGWKIEXYTVIGDI-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC[C@H](NCC(C)(C)C1=CCCC1)[C@H]1CC1(C)C	397600760	ACHVNLAPFQQQOJ-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](NCCCC(C)(C)C)[C@@H]1CC1(C)C	397721597	XRHDOBRDZOBPAV-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCCN[C@H](C)c1cc(C)c(C)cc1C	397758879	JKRCZIMRFKZGQB-MRXNPFEDSA-N	245.410	4.619	0	10	BJAE	
Cc1cc(C(=O)CCC(C)(C)C2CC2)ccc1F	405849591	WVPZSZKLZWTMOA-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CC(C)(CC[C@@H]1CCc2cc(N)ccc21)C1CC1	406049219	ZXTREXWLJRQOPO-LBPRGKRZSA-N	243.394	4.515	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)[C@@H](C)CCC	688371159	WUZMYYHZQUEPRX-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC[C@@](CCCC2CCC2)(CNC2CC2)C1	688846441	ROGKPCVQWPKOMX-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)CCCC1CCC1	688894304	DWCBQKPLWYXRJB-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCc1cc(N[C@@H](C)c2cccs2)ccc1F	690091463	BABSYYBNXSODLX-JTQLQIEISA-N	249.354	4.623	0	10	BJAE	
CC(C)(CC[C@@H](N)C1CCC2(CC1)CC2)C1CC1	695666880	MYQAPQZPWRXMDK-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@H]1CCCC2(CC2)C1	695955707	JWTFDYKSKWLDSF-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)c1ccc(C)cc1	696218375	AKZRLQJVOVFFSH-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1cccc(C)c1C	696660885	SLLDNZFPBPVXQV-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CCCC1CCC([C@@H](N)C(C)(CC)CC)CC1	701130457	HFOBSYAPBTXGGA-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)c1ccsc1	704852041	PRNBJHFCBRVZAJ-OCCSQVGLSA-N	239.428	4.529	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](O)CC1CCCCCC1	704855749	DWTJDOVAJUBNMO-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](O)C[C@@H](C)CC(C)(C)C	709070455	DFKVPQFVNUKKBB-KGLIPLIRSA-N	242.447	4.738	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(N)CCCCC1(C)C	709149513	VYQGIHHUUGXBME-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H](C)CNc1ccc(C2CCC2)cc1	709671111	HHELJOLILHBCPR-ZDUSSCGKSA-N	231.383	4.658	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(C(C)(C)C)cn1	710016694	JMLNPIVYOIGNOE-LBPRGKRZSA-N	248.414	4.616	0	10	BJAE	
CC1CCC(C[C@@H](N)C23CCC(CC2)CC3)CC1	710263112	NIBHRQGEGRGFMN-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](C[C@@H](C)C(C)(C)C)NCC)CC1	711154465	XXOSDTANTQICJB-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)C(C)(C)C)[C@H](C)CC	711185468	SKRPENJDGROBQB-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC(C)(C)CC)NC	711250620	AJNBWILHHCZJSX-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC1CCC([C@@H]2CC[C@H]3CCCC[C@H]3N2)CC1	712298096	BVVGDXHISJZJQG-AEFXTWNNSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1CCCCCCC1	713326358	VHJRXPCWSCEKOK-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)CC(=O)C(C1CCC1)C1CCC1	713359022	SBCYSPBJBMPZNR-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)C1CCC(C)CC1	713750721	YLOQMKMERSHTQB-KXERVDIVSA-N	249.442	4.703	0	10	BJAE	
C1CCC(CCN[C@@H]2CCC[C@H]3CCCC[C@H]32)C1	714323581	VRHNJRXXNGFXKE-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)CCC(C)=C(C)C	718650339	HFOGHYFLFCMMSY-DZGCQCFKSA-N	225.420	4.537	0	10	BJAE	
O[C@H](CCCC1CC1)c1ccc(C2CCC2)cc1	720171679	NVMLEFUAENLAGZ-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCC(C)(CC)[C@H](C[C@@H]1CCC[C@@H](C)C1)NC	721656631	UBPYIFHPGWUTOJ-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(CC2(N)CCC3(CCCC3)CC2)C1	723587750	JLKNMPIDCMVHNP-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CNc1ccc(C(C)C)c(CC2CCCCC2)c1	725424822	YTJOSJQVDAXXLW-UHFFFAOYSA-N	245.410	4.975	0	10	BJAE	
C[C@@H](CSCC(C)(C)C)C1CCCCC1	1459075056	FLFFFNYKPMBKPQ-LBPRGKRZSA-N	228.445	4.982	0	10	BJAE	
C(=C/c1ccccc1)\CCSc1cccs1	1640858002	QBOQTYDCBLEPGG-RUDMXATFSA-N	246.400	4.944	0	10	BJAE	
CC(C)N(C[C@H](C)C(C)(C)C)C1CCCCC1	1651744980	GMMFRFFFPVGZJT-AWEZNQCLSA-N	239.447	4.712	0	10	BJAE	
CC(C)[C@H](C)SCc1c(F)cccc1Cl	1656321002	DAVRRCLBURQQKO-VIFPVBQESA-N	246.778	4.757	0	10	BJAE	
CCc1nc(S[C@H](C)CC(C)C)sc1C	1656706436	HFVAXDOXIYZNPG-SECBINFHSA-N	243.441	4.541	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCCC3(CC3)C2)CC1	1660083088	SNWGCGJHWAEOKW-HWOWSKLDSA-N	249.442	4.658	0	10	BJAE	
CCCC1CCC(CNC2(CC)CCC2)CC1	1661671015	JXSVOLJNMDWSJX-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)Cc1c(F)ccnc1Cl	1903369429	GHQAUNDAYWCLRT-JTQLQIEISA-N	243.753	4.633	0	10	BJAE	
CCC(=C[C@@H]1CCC[C@H](C)C1)CNC(C)(C)C	1905427794	VFDLSAZQCXUAIE-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(C)(C)C(=O)C1	1905430347	AJZZBFIVEXDUAV-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1cc(C)c(C)s1	1905432102	OXSRPIGNOQXBBV-GFCCVEGCSA-N	238.396	4.764	0	10	BJAE	
CCCCCC[C@H](O)CCC=Cc1ccccc1	1912068306	ISRUEUDYRHCSAM-KRWDZBQOSA-N	246.394	4.811	0	10	BJAE	
Cc1cc(C(=O)C2CC3(CCCC3)C2)c(C)s1	1912615710	GYJQWYICANJGEL-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCC=CCNc1ccc(C)cc1OCCC	1914694574	OVYISOYCXPPUBP-UHFFFAOYSA-N	247.382	4.552	0	10	BJAE	
CCCCCC[C@](C)(O)c1sccc1Cl	1919964982	UBGCDHUPQADTID-LBPRGKRZSA-N	246.803	4.579	0	10	BJAE	
CCCNC[C@@](C)(CC(C)(C)C)C1CCCC1	1924072611	LBWAKXSJACQPAL-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1C=CCCCC1	1925807094	LRPOEDLXKQHTIG-HNNXBMFYSA-N	244.378	4.935	0	10	BJAE	
CCCC(O)(CCC)CCC[C@H]1CC1(C)C	1935923269	GUDFPBJWHNZFAW-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](N)CCCCCC1CC1	1936421218	ZJCXKVZQJKTUIQ-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC(C)c1cnc([C@@H]2C[C@H]3CCCC[C@@H]32)s1	1936501245	VGVZWQTZTGSELF-GRYCIOLGSA-N	235.396	4.560	0	10	BJAE	
CCc1ccc([C@H](O)C(CC)(CC)CC)s1	1937441432	BSEOOXYMHRHLLK-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)CC(C)(C)C(C)C	1940790240	KXWVZEYEIFSDJB-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](C)c1cccc(N)c1	1940976468	MWWJUNVYNIEZLP-XJKCOSOUSA-N	231.383	4.589	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@H](CCC)C(C)C	1941262724	ILCITUUKYJKAGV-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)C(C)(C)CC	1941584153	MIYWYERSCMDCOV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@H](C)CCC(C)C	1942653940	WDQICIVONCXUOI-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)C[C@@H](C)CC(C)(C)C1	1942659516	RSTCYJLJMJNEQU-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(CC)[C@H](NC)C(C)(C)C1CCCC1	1944640695	MZEIKSAEIMRKJZ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC(=O)C(C)(C)C1CCCCC1	1944642829	RZRYCQSASLIVPN-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1CCC[C@@H]1Cn1ccc2ccc(Cl)cc21	1944799921	TXFGUEKMYGPPPN-WCQYABFASA-N	247.769	4.731	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)[C@H](C)CCC	1944818035	CKIDPAIDANNHTE-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CC(C)(C(=O)[C@H]1CCC1(C)C)C1CCCCC1	1945728044	FHRYSVHPNPAENH-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
Fc1c(C[C@@H]2C=CCCC2)cccc1C(F)F	1947558807	MVDIDNZKDMFUSZ-SNVBAGLBSA-N	240.268	4.662	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H](C)CC(C)C)cc1F	1948329469	ZZYFIOZKLLWHKH-CHWSQXEVSA-N	237.362	4.617	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CCC[C@H](CC(C)C)C1	1949088461	VJXWXMXLSRLPKH-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C[C@@H](C)CC)CCC1(C)C	1949654231	RTSRUCNDXZALIA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@H]1CC12CCCCC2	1950641129	LGFIGRNQFHVHRJ-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@@]1(CNc2ccsc2Cl)CC=CCC1	1957626232	FEGIGSVCOQFBJG-GFCCVEGCSA-N	241.787	4.560	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)[C@H]2C=CCCC2)cc1	1962721903	HURBGRLCZWVLMV-ZDUSSCGKSA-N	242.362	4.523	0	10	BJAE	
CCCc1ccccc1CN(CC(C)C)C(C)C	1966165527	UBSKNOPGDRQIDT-UHFFFAOYSA-N	247.426	4.506	0	10	BJAE	
Cc1cc(C)cc(OC[C@H]2CCC(C)(C)C2)c1	1968308385	VWBYOUSJIZXQTE-AWEZNQCLSA-N	232.367	4.509	0	10	BJAE	
Cc1cc(F)ccc1NC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1968361778	RBUAFXPAJWJGTC-IMRBUKKESA-N	249.373	4.618	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)C1CCC1	1968598479	YSBYXCDRLFDKNF-CYBMUJFWSA-N	231.383	4.719	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCCCC12CCC2	1968648920	RPCLIACESMGZAC-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CCC[C@H](NCC(C)(C)C1CC1)c1ccccc1	1970095041	OLHZZMYXACMLMS-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCC2(CCC2)C1	1971661544	FVKGSQNYERYDKU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCCC3(CCCCC3)C2)C1	1971670938	SDQRUQZNDOIJNS-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](CC1CCCC1)NCCC12CCC(CC1)C2	1973949158	RVCPXRBBVMOKBV-OOHWJJMZSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](CCCC(C)C)NC	1978522457	CDEGZXLCQFEMGK-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H]1CCCCCCC[C@H]1NC	1980350014	CJJMXCPXSKNDEN-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC(=O)C[C@@H](C)C1	1982565522	GKOSRYXQCITUCP-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2CCC2(C)C)n1	1995460911	DNGRNPNRXHBEOK-JQWIXIFHSA-N	237.412	4.635	0	10	BJAE	
CCC1CCC(N[C@]2(C)CCCC[C@@H]2C)CC1	1995644358	CYUFZGFKKONQEN-SLTXQBBLSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@H]2CCCCC2(C)C)C1	1996238073	OKHQATBEMSXXSU-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@H](N)CC2CCCCC2)C1	1996260533	PHSBIKQPAHMADL-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](CCC1CCCC1)NCC	1996615916	JVBNHLMDRDFUKS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(NC[C@@H]2CCC=CCCC2)c1	1999992877	IXFUYJIYLFSGQR-OAHLLOKOSA-N	229.367	4.543	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)[C@@H]1CCCC(C)(C)C1	2000042892	WVQWYZLMNCQEFQ-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
CCN(CCC(C)=C(C)C)c1cccc(C)c1	2000902778	KWGYGQJEAZSRLF-UHFFFAOYSA-N	231.383	4.568	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)CCC[C@@H]1CC1(C)C	2000908634	ALCBUIBNFLUYPB-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C)C1CCC(CC)CC1	2002927989	WDUPFGHIPFVYNX-WXLSXGNJSA-N	239.447	4.760	0	10	BJAE	
CC(C)CCCN[C@H](C)[C@@H]1CCCC(C)(C)C1	2003009043	WOJYFUKWNGOTNF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1CCC([C@@H](N)CCCC)CC1	2003066783	IAVHQXMLIUZUBD-GPANFISMSA-N	239.447	4.891	0	10	BJAE	
CN[C@H]1CCCCCC[C@@H]1CC1CCCCC1	2003097165	DOJVTRNNIFDMAJ-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC1(CCC[C@H]2CCCCCCC[C@@H]2O)CC1	2003116377	IIOAIRZWWMSMHR-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
CC[C@H]1CC[C@H](NC2CCC(C)(CC)CC2)C1	2004368213	AZFCEGILEFIOMG-UIDBIOKJSA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H]1CCC[C@@H]1C(C)C	2007622622	NLCXNELSKRWUCW-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CN[C@H](C=C1CCCCC1)C[C@H](C)C(C)(C)C	2007938297	WMJVXPUCPFQZKM-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCC1(CC)CC(N(C)C[C@@H](C)C(C)(C)C)C1	2009320715	RJYXCKVFCRRHCM-CYBMUJFWSA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(O)CCC1(C)CC1	2009548042	MNOXHZQWOZVMBX-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@]1(N)C[C@H](C)CC[C@H]1C(C)C	2009568914	JCCSKOYAJTVNNC-PMPSAXMXSA-N	237.431	4.523	0	10	BJAE	
CCCC1CCC(C(=O)CCC2(C)CC2)CC1	2009611789	NPDZLVIFWICYDG-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@H](CCCC1CC1)NCCC	2009627892	LQZUBXCMDFWCQP-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@](C)(O)CC(C)(C)C)CC1	2010719440	FKUGTBAKFZGWDF-CZUORRHYSA-N	238.415	4.556	0	10	BJAE	
CCC(CC)CC(=O)CC1CC(=C2CCC2)C1	2011069206	WSEZBGIUDMVPGE-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CC(=O)CC(C)(C)C2)C1	2012083771	JCVUYKMNTJNOMD-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cc(C)cc(F)c1	2013262974	DXVFXQBBUNILSY-CQSZACIVSA-N	237.362	4.761	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@@H]1CCC1(C)C	2014862632	RDVWHRHLVQYBDT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C(C)C)C(C)C)C(C)C	2015396845	GOFYALXLOJQSFQ-MRXNPFEDSA-N	241.463	4.719	0	10	BJAE	
CCCC1(CN(C)[C@@H](C)CC(C)(C)C)CCC1	2015584328	HSYFCSZDURPZQW-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CC[C@H]1CC=C([C@](C)(N)CCC=C(C)C)CC1	2016117517	PDXGZZXXKFZCSZ-GOEBONIOSA-N	235.415	4.587	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C1=CCC(C)(C)CC1	2016150624	WMGOQSKUFMCAQR-INIZCTEOSA-N	236.399	4.620	0	10	BJAE	
C[C@@H](CNC1(C(C)(C)C)CCC1)CC(C)(C)C	2017109967	LSKPQMOSRYZIRT-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](O)CCC1CCC(CCC)CC1	2017720677	TZIZEHLPVGAHAA-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CC[C@H](CCC[C@H](NC)C(C)C)CC1	2017733648	MMUJRMBJMZNFPN-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CN[C@]1(C)CCC(C)(C)C1	2017912626	LXNTXOMDFUXIRU-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C(C)C)C1CCC1	2018128183	WRPZXSLHIXFJDE-JKSUJKDBSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)N(C)CC1(C)CCCCC1	2018182193	FGDQCWFTLUEDGP-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H](CC)CC(C)C)CC1	2018997167	XOOOMFWXHFDYTP-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@](O)(CCC1=CCCCC1)C1CCCCC1	2019780325	QLRIDLVISFXNJF-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H]1Nc1ccccc1C1CCC1	2021027337	XAUGXBKVGCPJCK-WFASDCNBSA-N	229.367	4.555	0	10	BJAE	
Cc1ccc(-c2ccc(N)c(C)c2Cl)cc1C	2023975288	DPQQIXUAYUOBMW-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](CC[C@@H](O)C2CCCC2)C1	2024119887	RUUCROBAEOMEFY-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@@H](O)CCC1CC(C)(C)CC(C)(C)C1	2024120992	ARVJSGKPRYSFAE-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccc2[nH]c([C@H]3CC3(C)C)cc2c1	2024290467	RHHTZLJXWLEENB-CYBMUJFWSA-N	227.351	4.805	0	10	BJAE	
Cc1cccc(C)c1N[C@@H]1CCC12CCCCC2	2026876103	HPHRPOPJJHZWJX-OAHLLOKOSA-N	243.394	4.828	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(C2=CCCCCCC2)C1	2026917294	CNJIBAXKRATAKK-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)c2ccc(C3CC3)cc2)C1	2028590233	HSINQIVAAZPYAC-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](c1ccc(C2CC2)cc1)C(C)(C)C	2028593565	NULKARQFOOWSQM-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@@H]1C[C@H]2CCCC[C@H]21	2028785508	DKSPGFDWVVLHKJ-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC2(CC2)C[C@@](O)(C2=CCCCCC2)C1	2030280869	GIIRIQNYKQENOP-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](Nc1cccc(C2(C)CC2)c1)[C@H]1CC1(C)C	2032248392	YCWWGINFJGQKBI-IUODEOHRSA-N	243.394	4.585	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)C(C)(C)C(C)C)cc1	2032270829	DCKXNATYSBWEEE-CZUORRHYSA-N	248.410	4.916	0	10	BJAE	
CCC[C@H](N[C@H]1CCCC2(CCCC2)C1)C1CC1	2034372286	VNEPTPXENXBNPS-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCNC[C@]1(CC2CCCCC2)CC12CCCC2	2036107934	RZTRNQZRBVEGCD-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@@H]1CCC2(CC2)C1	2038571638	LEIRWEIUJZGWAI-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCC2(CC2)C1	2038580119	SNISOPUBLOJWFS-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2CCC=CCC2)CC1	2039374450	LFGJUYXBZMHXHF-GDBMZVCRSA-N	248.410	4.908	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)CC12CCC(CC1)C2	2039416652	XELDKQRCQOLZAW-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](NCCC1(C)CCCC1)C12CCC(CC1)C2	2039863043	AYZJMWFEEAONSL-HPUBIQBYSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@](C)(N)C23CCC(CC2)C3)CC1	2039873790	ZMIGEUKSMBCUOM-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NCC[C@@H]1CC=CCC1)C1CCCCC1	2040676727	GTMGBFNLGYGQEY-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCc1ccc(NCC23CCC(CC2)C3)cc1C	2041247770	QGSOLJUJDFJJRS-UHFFFAOYSA-N	243.394	4.550	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)C1(C)CC=CC1	2042017653	XEXJJEPLGJBTCJ-MRXNPFEDSA-N	247.426	4.601	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CCC2=CCCCC2)C1	2045556317	WFNLAPBARIGDLZ-CZUORRHYSA-N	246.394	4.829	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CCC[C@@H]1CC1(C)C	2045681205	VYRXNUXNHONHEA-LZWOXQAQSA-N	248.410	4.764	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](NC)c1cc(C)c(C)cc1C	2045741145	OHKRFRHFZDQWCX-XNJJOIOASA-N	247.426	4.555	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)C[C@H]1CC12CCCCC2	2047059487	QKANOBIQCTUNIR-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)C2[C@H]3CCCCC[C@H]23)CCCCC1	2048364899	CQSMCAIMGYUEES-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1CC(C(=O)[C@@H]2CC23CCCCC3)C1	2048622893	CAIYVOXKQQXYPE-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)[C@H](C(=O)CC1(C)CC1)c1ccccc1	2048875416	WCTKHMUFTJHJIK-BBRMVZONSA-N	244.378	4.576	0	10	BJAE	
N[C@@H]1[C@H]2CCCCCCC[C@H]2C12CCCCCC2	2049671017	ACUNQMFVJXNWNT-ARFHVFGLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)CC1CC2(CCC2)C1	2053402779	YRVRGCCOGWLZHZ-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
N[C@@H](CCCC1CCC1)[C@@H]1CCCCC12CCC2	2053411203	IPHKVJVELTZNMD-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccncc1N[C@@H]1CCCC(C)(C)C1	2053854166	QDMWTMNKWSTQGX-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1N[C@H]1C=CCCC1(C)C	2055531956	KVTVZIAAPMHSEE-KFWWJZLASA-N	249.442	4.536	0	10	BJAE	
Cc1ccccc1[C@H](C)Nc1ccc(CF)cc1	2055675697	XTEGXBUCBAFQPU-ZDUSSCGKSA-N	243.325	4.638	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)c1cc(C)co1	2056869726	DRDOZZPRJSOICG-OAHLLOKOSA-N	247.382	4.519	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC[C@@H]3C[C@@H]23)C1	2057357584	LWCIGIXVBAOZHG-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2CCCC3(CC3)C2)CC1	2058993070	YLCLHCVCPFTEGW-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CC=CCCCC[C@@H](NCC)c1ccccc1C	2059247779	VEJXVTMPOULJED-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CN[C@H](C1=CC[C@H](C)CC1)[C@@H]1CCCCC1(C)C	2060921999	OSYQKXFORNGONZ-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC[C@@]12CCC[C@@H]1C2)C1(C)CCCCC1	2061571603	LMSGXOJGJGYQOM-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(N)(CC[C@]23CCC[C@@H]2C3)CC1	2061615791	HMSJWYXRESIQRM-GMRIPVOYSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@H](N)C1CCC2(CC1)CC2	2062820527	XIDFHZJMAIWRGQ-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063509719	PPQISGLKHFFJNL-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CCNCCC12CCC(CC1)CC2	2065258559	IVXKRLGQTRZONA-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C1CCC(CCCNC23CCC(CC2)CC3)CC1	2065262087	FWXIPUZEDOWILA-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H](NCCC12CCC(CC1)CC2)C1(C)CCC1	2065267371	HKQQGWMCMDGJPF-UQPPLGOBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@@H](CC23CCC(CC2)CC3)[C@H](N)CC1	2065333800	WUQQUFISAMJQCZ-VPABYTGTSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](NC[C@H]1CCC=CCCC1)C1(C)CCCC1	2067540607	QECIYHLNLIQECH-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)CC1=CCCCC1	2070408433	OTUXRIUJQCXKNN-JKSUJKDBSA-N	249.442	4.990	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)[C@@]23CCCC[C@H]2C3)CCC1	2071946356	PASWGHWKVIJQDG-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNC2CC2)CCC[C@@H](C)C1	2072407877	NLVQZTCNYOGTLJ-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC12CCC(CC1)C2)C(C)=C(C)C	2072415878	ABBOTQLHWDCXNO-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(CN)CC23CCCCC3)CC1	2072797016	VECSYNDYIIZCNP-ZOBUZTSGSA-N	249.442	4.502	0	10	BJAE	
CCCC1CCC(C=C2CC[C@H](CCN)C2)CC1	2072819897	UPHRGVZHYPQQAD-UYSNPLJNSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@]12CCCC[C@H]1C2	2074111724	FIQKSNXPASDDRZ-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(N(C)C[C@H]2CCC[C@@H](C)C2)cc1	2074857585	SZNSRLZQPWHTBM-ZBFHGGJFSA-N	245.410	4.512	0	10	BJAE	
CC[C@]1(C)CCCN([C@H]2CCC23CCCCC3)C1	2075012658	KNOBGKVNAJTGIG-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CN(CCC1=CCCCC1)[C@@H]1CCCC(C)(C)C1	2075146094	NUOSIOQSNHWGPG-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1Nc1ccccc1C1CC1	2077261747	DHNRRXAXRGPYHI-GOEBONIOSA-N	243.394	4.801	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@H]1C[C@H]1C1CCC1	2079304339	UDJFANZHNIYJHT-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(N)(C[C@H]2C[C@H]2C2CCCCCC2)C1	2079669621	IBOGKGGEDSGJOW-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@@H]1C1CCCCC1)C1CCC1	2079838528	JZDLGAHQPJJFJP-OIISXLGYSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCC1)C[C@@H]1C[C@H]1C1CCCCC1	2079862718	JDSMKICDZVFFAA-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCC[C@H]1C(C)C	2081944117	FLEURQGXMQOFLL-GOEBONIOSA-N	249.373	4.625	0	10	BJAE	
C[C@@H](C[C@@H]1CCCC(C)(C)C1)c1cccc(N)c1	2082975993	NJXMNPYGJGFBIL-KBPBESRZSA-N	245.410	4.979	0	10	BJAE	
Cc1c(F)ccc(C(=O)C2CCCCCC2)c1C	2083355437	WSEATESNMHFRBQ-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CCC1CC(CC(=O)[C@@H]2CCC3(CCCC3)C2)C1	2084993767	IQWBNKCIVRESRZ-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@@H](C(C)C)C2)cc1C	2085239780	HLWWJSAFXAFZAB-NVXWUHKLSA-N	245.410	4.794	0	10	BJAE	
Cc1cn(Cc2ccc3ccccc3c2)c(C)c1C	2112034988	LFNQFJYLMGMBTM-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CC=CCCCNc1ccc(Cl)cc1CC	2212643773	JRWJKRPCXVEPDD-UHFFFAOYSA-N	237.774	4.671	0	10	BJAE	
C[C@H]1CCCC[C@@]1(O)CCCCCCC1CC1	2213580872	PSRKZSNEFHSYDK-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(N)(CC(C)C)CC(C)C	2215249278	MGYDBICORPVFCM-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C(C)(C)C1CCCCC1	2215333785	QEQJHFOPGLUCEG-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC[C@H]1C[C@H]1CC	2215345532	KJQXHSQACVMLQC-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
Cc1cccc(C)c1C(=O)C(C)(C)C(C)(C)C	2215995115	VIMVQDQHQHFDBM-UHFFFAOYSA-N	232.367	4.558	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CCCCC(F)F	2216432668	GBFOEYPDEDKRFM-OLZOCXBDSA-N	249.389	4.746	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CCCCC(F)F)C1	2216517632	ZAAAORNAYCAULQ-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
C[C@@H]1C[C@@](O)(CCCCCCCC2CC2)[C@@H]1C	2216894345	GJZMMEZOHQHSNQ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CC1(CN[C@@H](C)CC)CCCC1	2217151292	TWTKOPWFCWRHLH-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
N[C@H]1CCCCC[C@@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218357708	SEBADABXJFICRF-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
N[C@H]1CCCC[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218365194	KZBXZQVWPRRRMS-NNXHMXCWSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C1CC2(CCC2)C1	2218720240	HKSOWCMOYKSCLN-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)[C@@]12CCC[C@H]1C2	2218727255	QJRPPNTVROEXFZ-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@H]1C[C@@H]2CC[C@@H]2C1	2218734074	AVUUMIGTDPMFAB-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC1CCCC1)NC1CCC(C2CC2)CC1	2218894541	KKKWSBKZNKGTDX-IGEOTXOUSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](C/C=C/c1ccccc1)CCCC(C)C	2219088277	PHTIFQDTHDPUBH-FWVUHSSSSA-N	245.410	4.504	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccnc(C(C)C)c1	2220886050	SOIUXEXNVFLOHR-ZFWWWQNUSA-N	246.398	4.586	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)CC2CCC(C)CC2)CC1	2221630918	LAAGKXNAIALWGO-MHVXSEJMSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](C)CC1(CNC2CCC2)CC2(CCC2)C1	2223591748	DDKVOWZVTQPEID-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)[C@@H](C)c2ccccc2)C1	2224177791	YKFSDDXWXUDZKX-KKUMJFAQSA-N	244.378	4.576	0	10	BJAE	
CC1(CC(=O)c2ccc3occc3c2)CCCC1	2224188760	KUHWOBYXVNVJKJ-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
Cc1ccn(-c2cccc(Oc3ccccc3)c2)c1	2227294291	WPHINWZZYJXGRQ-UHFFFAOYSA-N	249.313	4.578	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H]1CCCCCCC[C@@H]1O	2247309708	WTLNREAYPRMOSF-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
Cc1ccccc1NCCCCC[C@H]1C[C@H]1C	2248858522	RMPDASYIQXADNA-CABCVRRESA-N	231.383	4.623	0	10	BJAE	
CCC(CC)[C@H](C)NCCCCC[C@@H]1C[C@@H]1C	2248874645	XSYXCRBMTDBRSZ-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)CN[C@H](C)C1CCCCCC1	2250386704	WYXLYLBJHXLKKH-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C(=O)C[C@@]12CCC[C@@H]1CC2)C(C)C	2251158687	PEERVKKZGGGKLB-YCPHGPKFSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC(=O)c1cccc(C2CCCC2)c1	2251254363	YSHCWHHQPMGWRI-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCC(N)(CCC)c1ccc2ccsc2c1	2253066264	WZOBZJNOMZJGBG-UHFFFAOYSA-N	247.407	4.656	0	10	BJAE	
C[C@H]1CCCC[C@@]1(C)NCC1CC2(CCCC2)C1	2254084410	OWBURKFMWRYCQM-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CC1CC2(CCCC2)C1	2254114111	LFJPGULNNBVLCT-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@@H]1CC1=CCCCC1	2255092484	UQZPLKSFBNJPJI-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@H](C)C1CCCCC1	2255098253	ATZKBHDQQDVPIW-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@@]1(C)C=CCCC1	2255141745	QNELLGVYPWIFHQ-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
C[C@@H]1CCCCCCN1CC[C@H]1CCCC12CC2	2255259437	OJSAAOCRKRYGDL-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
C[C@@]1(C(=O)CC[C@@H]2CCCC23CC3)CC=CCC1	2255310083	DWWCURLSHDWUMR-GOEBONIOSA-N	246.394	4.662	0	10	BJAE	
Cc1ccc(CCC=Cc2ccccc2)c(F)c1	2255358805	JRSHLOAQMPUGNQ-UHFFFAOYSA-N	240.321	4.780	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@H]1CCC12CCC2	2257254144	FPHOOLCAFFNAKB-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)C[C@H]2CC[C@H](C2)C1	2257362116	PXTUVHLAWXSSAN-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccccc1C1(C)CC1	2259439841	YOKPQZHSGIMPOH-ZDUSSCGKSA-N	244.378	4.747	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1ccc(C2(C)CC2)cc1	2259446933	IVOGGGYJSMSJHS-CZUORRHYSA-N	246.394	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CCC=Cc1ccccc1	2259470355	JEGDHTZIQHCBGK-IAGOWNOFSA-N	245.410	4.634	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@]12CCC[C@H]1CC2	2260508656	QKLLLZBPGXSJBS-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@@]12CCC[C@H]1CC2	2260508658	QKLLLZBPGXSJBS-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@H](NC[C@@]12CCCC[C@H]1CC2)C1CCCCC1	2260580649	BPRKYMPAGXBGHW-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1C[C@@]12CCCC[C@H]1CC2	2260650543	FDFHNDGHPDLJCR-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]1CNc1cccc(C2CCCC2)c1	2260727648	RHXZUMAHIWXWNG-XJKSGUPXSA-N	243.394	4.802	0	10	BJAE	
CCCCC[C@@H](CC)N(C)[C@H](C)CC1CCC1	2298871420	SGIVBQSJDINVEY-GDBMZVCRSA-N	239.447	4.856	0	10	BJAE	
CC(=CCc1ccncc1C)CCCC(C)C	2300863794	TYTYYHONGITRQB-UHFFFAOYSA-N	231.383	4.705	0	10	BJAE	
CCNC[C@@H](C)CCC=C(C)CCCC(C)C	2300878460	ABHNYHBFEOXXBY-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CCC[C@H](N[C@H](C)[C@@H](C)C(C)C)C1CCCC1	2301715033	SUTRYWXASQNIHZ-LZWOXQAQSA-N	239.447	4.616	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CC[C@H](C)C1	2301912605	JVCMCNWYTKNVJW-AAEUAGOBSA-N	235.346	4.550	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](CCC1=CCCCC1)NC	2301943877	ASSROQWVVHETSH-OFQRWUPVSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CN)CCCC1=CCCCC1	2302355499	BXMCWFNQIZCKMZ-INIZCTEOSA-N	237.431	4.812	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@H]1CC[C@@H]1C(C)(C)C	2303490540	RFFMBSFSDOEMGU-ILXRZTDVSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)c2ccc(C)s2)CC1	2303525099	MSLYMBVGHHBMTK-KBPBESRZSA-N	249.423	4.583	0	10	BJAE	
CC(C)CCCNc1cccc(C(C)C)c1F	2307558434	CTJJWQITQOFYTO-UHFFFAOYSA-N	237.362	4.797	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccc(C)cc1C	2307763028	HYCKAJWYYASTKT-CQSZACIVSA-N	232.367	4.703	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)C[C@@H]1C[C@H]1C	2307820533	ZGEPNHPZDHQYQD-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(CN)C1CCCCC1	2307846956	YGBDNBQELDYKNQ-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC[C@@]23CCC[C@@H]2C3)C1	2310380359	UTTCDPWPFGOVRY-LJIGWXMPSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2311007201	JIVVTCFPPKEEEB-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)C[C@@]23CCCC[C@@H]2C3)C1	2311160182	XPJNYWSRGMZTPE-BIVLZKPYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](N[C@@H]2C[C@H]2C2CCCCC2)CC1	2311537920	WTDPSUSYXKTLKW-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2C[C@H]2C2CCCC2)CC1	2311540059	ZNMILESFHJYDQK-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCCC1CC([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313322764	NKIMSQPVJMXPHP-JWRYVHENSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1ccc(C)c(CC)c1	2314714346	YPWRYPSTPYAEQZ-PBHICJAKSA-N	247.426	4.644	0	10	BJAE	
N[C@H]1C[C@@H]2CCC[C@H](C1)[C@H]2CC1CCCCCC1	2316936254	APKNCQRFPRQWBQ-DSPLQEQRSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc2ncoc2c1	2318047742	TZFCHKRSSMLDTD-LBPRGKRZSA-N	246.354	4.599	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@H]1CC[C@@H]1C1CC1	2319592359	QZCSRLMVSRSUQY-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1N[C@H]1CCC12CCCCC2	2320146972	QAUCWWGNQHBADR-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(F)c1NC[C@H]1CC[C@@H]1C(C)(C)C	2320320543	PDSVVVUDAKMXGO-OLZOCXBDSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@@H](CC2(CN)CCC(C)CC2)CC1	2320328870	GKEIVVYLXQUWLC-PWZRNIHTSA-N	249.442	4.668	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H]2C(=O)C[C@H]3CC[C@H]2C3)CC1	2320336823	IVLJDFBMBBVCIR-YHUYYLMFSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CC(C)(C)C[C@@H]2C)CC1	2320412016	HENWCTIIVHICEZ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(CCCCNC(C)(C)C)c1	2320631283	SVQXPTIDXOVWMM-UHFFFAOYSA-N	247.426	4.521	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1C	20556382	QDJRIFQEPJPQPA-IUODEOHRSA-N	245.410	4.930	0	10	BJAE	
CCc1cccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1	21519853	FSXNHVJPSDVGQZ-CZUORRHYSA-N	245.410	4.876	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@H](C)[C@@H]1C	36915169	IQRAYEPKCZTPNH-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc([C@H](C)NCC2CCCCC2)cc1C	37259406	LQOKSNRRSJBIOO-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CC(=O)c1ccccc1S[C@@H]1CCC[C@H](C)C1	54691645	QUZSXZDKVZWRNT-WCQYABFASA-N	248.391	4.560	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(O)CCC(C)(C)CC2)C1	79657318	CZUARNLERDPWHX-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)NCCCCC1CCCCCC1	84328986	XQCUQSLEGMFFTK-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCc1ccc(C(=O)C2C[C@@H](C)C[C@@H](C)C2)cc1	84952997	POPVQBADQADDGQ-OCZCAGDBSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@@H](C[C@H](CC)CCCC)NCC	86315454	KMAHBVOIKQPLEO-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](N[C@@H](C)c2ccco2)CC1	86939326	SHXOAGWOUCSOAA-SOUVJXGZSA-N	249.398	4.535	0	10	BJAE	
CCCCCC[C@H](C)[C@@H](C)CNC(C)(C)C	87953612	SGHHDGXXDPZXMJ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H](O)C2CCCC2)cc1	90484767	ZSHBLRDKQDGUNM-INIZCTEOSA-N	246.394	4.598	0	10	BJAE	
Cc1cc(C(=O)C2(CC(C)C)CCCC2)c(C)o1	94899238	IEBGPHNEVQEUJX-UHFFFAOYSA-N	248.366	4.686	0	10	BJAE	
CCC(=O)c1ccc(-c2ccc(CC)cc2)cc1	109774603	HZBLTWXYXRWEQI-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
CC(C)(C)C[C@H](N[C@@H]1CC1(C)C)c1ccccc1	109942537	ZIDAXSBDXLFFMP-LSDHHAIUSA-N	245.410	4.552	0	10	BJAE	
Fc1ccc2c(Cl)cc(C3CCCC3)nc2c1	133603222	OORDGMUAODAMEY-UHFFFAOYSA-N	249.716	4.685	0	10	BJAE	
CCC(CC)Sc1ccc(O)c2ccccc12	156338532	AQAYWLZCARJUFO-UHFFFAOYSA-N	246.375	4.826	0	10	BJAE	
CCCC[C@H](CC)COc1ccc(F)cc1C	163325526	XMFZXIOGWAWICK-ZDUSSCGKSA-N	238.346	4.729	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H](C)C(C)(C)C)cc1C	166173772	YBHNHRCXMYJQDD-AWEZNQCLSA-N	246.394	4.867	0	10	BJAE	
Cc1cc(C)cc([C@H](O)CC2CCCCCC2)c1	166805730	BOKPDNQCFUGZPS-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CC[C@@H](C)CC(=O)c1c(C)ccc2ccccc12	167199250	PCDZGYJARFIJOQ-GFCCVEGCSA-N	240.346	4.767	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C[C@H](C)CC	167830341	LHNJZBGNJRTEIT-OLZOCXBDSA-N	212.377	4.598	0	10	BJAE	
CCN[C@H](c1cc(C)c(C)cc1C)C(C)(C)CC	168669189	GGWAWRJAWUDBGA-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCc2ccccc21	225985692	YNWGWPWFZORVFF-DOTOQJQBSA-N	245.410	4.622	0	10	BJAE	
Cc1ccc([C@@H](O)[C@@H]2CCCCC2(C)C)c(C)c1	226653509	RCRSRCOSAYQKNO-JKSUJKDBSA-N	246.394	4.553	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)[C@@H]2CCCCC2(C)C)c1	226910647	NYVCADOSDIDQQU-JKSUJKDBSA-N	246.394	4.553	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@H](C)c1ccccc1	232981085	FWKNOJNOWZKDPJ-DOTOQJQBSA-N	247.426	4.739	0	10	BJAE	
CCCCc1ccc(N[C@@H]2C=CCCC2)cc1	233021424	SEOJQNQNNAMHMP-OAHLLOKOSA-N	229.367	4.550	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)(C)C)[C@@H](C)CCC	233168213	AUXKYWKENYKMHR-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Oc1cccc(C)c1C	234042801	KRDDAJQPTZWUIS-HOCLYGCPSA-N	232.367	4.651	0	10	BJAE	
Nc1ccc2c(F)cccc2c1C1CCCCC1	258237719	POVGQWXNKTURCF-UHFFFAOYSA-N	243.325	4.609	0	10	BJAE	
CC1(C)CCCC[C@@H]1c1c[nH]c2c(F)cccc12	300262405	QGZDGGQAIOXJKA-CYBMUJFWSA-N	245.341	4.991	0	10	BJAE	
C[C@H]1CCC[C@](O)(CCCC(C)(C)C)CC1	300856365	LPHSPPHPAIDXIP-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CN[C@H](C[C@@H](C)CC(C)C)c1cc(C)ccc1C	302297929	GZSDTDXQHZEJIG-WMLDXEAASA-N	247.426	4.636	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCc2ccccc2N1	302309330	ONDNGVUOYUOGHW-CQSZACIVSA-N	231.383	4.630	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@@H](C)C(C)(C)C	304280256	MCVGXCQGRVRMJY-LLVKDONJSA-N	239.790	4.743	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H](CCC2CCCC2)C1	305895100	DFIURRHNLKUSFO-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)c1cccc2ccsc12	305899948	AFRABBDZDOSKGF-RISCZKNCSA-N	248.391	4.617	0	10	BJAE	
Cc1ccc2c(Cl)c(Cl)sc2c1	307290513	IKKSMSRJJFZSLY-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@H](CC)CC(C)C	308049575	FORQYGOQJPQCBJ-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CCC(C)C)NCC	308064951	XONYAYIEEKGEGS-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@@]2(C)CCCC[C@H]2C)C1	308695669	DVQIBQBBTWNPMN-ORQFMDKSSA-N	249.442	4.537	0	10	BJAE	
CC1(CCNCCC2CCCCC2)CCCC1	310303966	VAGPWGCYWDLCSO-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](CC)c1cccc(C)c1	310838856	ARQUFDQIDFNRFM-DLBZAZTESA-N	247.426	4.657	0	10	BJAE	
C[C@H]1CCCC[C@]1(CNC1CC1)CC1(C)CCC1	317717431	GOHDOTIYAKJDNZ-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]([C@H](C)C(C)C)C(C)(C)C(C)(C)C	319802911	JNKSZXMEUQMJJU-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)[C@H](C(=O)[C@H](C)C(C)C)c1ccccc1	320081532	XSPLLWSBIKKYEP-LZWOXQAQSA-N	246.394	4.678	0	10	BJAE	
CCC1(CNc2cccc3ccsc23)CCC1	386230187	WWEJDSJGRDPXNA-UHFFFAOYSA-N	245.391	4.894	0	10	BJAE	
CCC(CC)(CC)CNCCC1=CCCCC1	391123908	KLRZNTGSFFZVOF-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1csc(C)c1	392891301	UFKVQQBQBBBSMK-TZMCWYRMSA-N	240.412	4.696	0	10	BJAE	
CC[C@@H](C)CCN[C@H](C)c1ccc(C(C)C)cc1	394393407	YWJZTVHIVNDAHY-HUUCEWRRSA-N	247.426	4.897	0	10	BJAE	
CCc1csc2cc(C(F)F)c(S)cc12	396234478	GKJWCFQNZFKZKZ-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1csc2c(F)ccc(C(F)(F)F)c12	396301712	RFZDLIXHNVZAHZ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1sc2ccc(C(F)(F)F)cc2c1F	396312879	XUELBYAVDHBSRQ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CC[C@]1(C)C[C@@H]1N[C@@H](CC(C)C)c1ccccc1	397316008	QYSGRBLBECFOAV-YESZJQIVSA-N	245.410	4.552	0	10	BJAE	
Cc1cc(Cl)ccc1OC[C@@H](C)CC(C)C	400884454	YNLPKYOWAPNUKW-NSHDSACASA-N	240.774	4.709	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC=CCC1)c1ccsc1	402128840	DZNSBYUIDGSDNL-HIFRSBDPSA-N	249.423	4.535	0	10	BJAE	
C[C@@H](Nc1cc(Cl)ccc1Cl)C(C)(C)C	687711541	ONXFXCBGNAKXEN-MRVPVSSYSA-N	246.181	4.840	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H]2CCC[C@@H](C)C2)c1	688937394	HKTBCXWIRRLKDD-UKPHBRMFSA-N	246.394	4.670	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H](C)c1ccc(C)cc1	695062514	REDXSIRKNHSHHN-RDJZCZTQSA-N	247.426	4.513	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCC[C@@H]2C2CC2)CC1	696106292	BGDNUXKUXDTZPW-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCCC[C@H]2C2CC2)c1	696108475	ZFZDUWIFCRLQBC-IRXDYDNUSA-N	243.394	4.684	0	10	BJAE	
CC(C)=CCC[C@H](O)c1cccc2ccsc12	697599069	OWCHXWWXMBPIEZ-AWEZNQCLSA-N	246.375	4.681	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)C1(C(C)C)CC1	697645127	ICIWLWWHIGILKO-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H](C)CCC	697776857	BHWGDEJAHKURGD-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@@H]1CC1(C)C	700634218	OGBKKZAIXUGSAZ-HNNXBMFYSA-N	245.410	4.578	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(C(C)(CC)CC)CC1	701080066	UPCGFCZRZZMWDD-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@@H]1CCCC12CC2	706307825	DAXPDQHRVGEOTM-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@@H]2C=CCCCCC2)CC(C)(C)C1	708251315	MOFHZHBLRFYWCB-BZUAXINKSA-N	249.442	4.680	0	10	BJAE	
C[C@@H](CC[C@@H](C)CC(C)(C)C)CNC(C)(C)C	709191907	UVEAWLMSYROGFG-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@H](C)C(C)(C)C)CC(C)(C)C	710784368	DGDSDFWFXXJWBN-HZSPNIEDSA-N	242.447	4.882	0	10	BJAE	
CC[C@@H](CC(=O)c1ccc(C)cc1C)C(C)(C)C	711091886	CBJCIZDMXZYEKX-AWEZNQCLSA-N	246.394	4.949	0	10	BJAE	
CC[C@H](C[C@@H](O)CC1CCCCC1)C(C)(C)C	711183324	VWTNUVGQADJDOH-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCCNCC(CC)(CC)CC(C)(C)C(C)C	713223352	UNTLDYSFDBFLHI-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC(C)(C)C(C)C)NC	713226600	FJPAKMVQDHTWOE-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC(C)(C)CC)CC1	713234346	WMBWCPMCAHXBRM-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
C=C/C=C\CC[C@H](CC(C)(C)CC)NCCC	713725810	MXJGPOVTBHGFFB-FJVVXJACSA-N	237.431	4.703	0	10	BJAE	
CC/C=C/C[C@@H](C)c1cccc(Cl)c1	714553092	OABMNFGOOAAHBF-SGUJLRQBSA-N	208.732	4.800	0	10	BJAE	
C(CCC1CC1)CN[C@@H]1CC[C@H]2CCCC[C@@H]2C1	716399009	AQMUIMGQURXEBR-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H](C)CC(C)C	718504783	FPUUAWSNWQEQOV-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1CCC[C@H](C)C1	718650312	HESMNQJGGOZKMB-CWRNSKLLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](CC(=O)CCCC(C)(F)F)C(C)(C)C	718688317	AAOSUWQJBUJPBX-NSHDSACASA-N	248.357	4.843	0	10	BJAE	
CC[C@](O)(CCC=C(C)C)CC1CCCCC1	720978693	UBMKQALFAFKORD-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CCc1cscc1N[C@H]1CCC[C@H](C)CC1	1902390340	JMJFYVSJVQYSSA-AAEUAGOBSA-N	237.412	4.691	0	10	BJAE	
CC[C@@H]1CC[C@H](c2nc([C@@H]3C[C@H]3C)cs2)C1	1905264307	UGNBEKNGGWWXOH-WISYIIOYSA-N	235.396	4.560	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)CCC=C(C)C	1905379377	ABPHIRHDLRDTCR-GJZGRUSLSA-N	226.404	4.700	0	10	BJAE	
C=CC=CCC[C@@H]1CCOC2(CCCCC2)C1	1911892659	ROXYBVVXROEQEN-OAHLLOKOSA-N	234.383	4.638	0	10	BJAE	
CCCC1CC([C@H](N)c2ccc(C(C)C)cc2)C1	1921176193	MYNTXTBPKPXGQS-QWFMPGPPSA-N	245.410	4.636	0	10	BJAE	
CSc1ccc(C[C@H]2C=CCCCC2)cc1	1925863623	YUDXDGZOCKBDMT-ZDUSSCGKSA-N	232.392	4.697	0	10	BJAE	
C[C@H](C[C@@H](O)CCCC1(C)CC1)CC(C)(C)C	1940874201	DPUPYOIUASWNKW-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CCC[C@H]1CC1(C)C	1940874375	UIYMMLUXAIWFKC-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CCC[C@@](O)(CCC[C@@H]1CC1(C)C)C(C)(C)C	1940878206	SPILIXHDZORXGB-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)(CC)CNCCC[C@@H]1CC1(C)C	1940880791	CAZZJVQHQPUOLZ-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)CNCCCC1CCCCC1	1941357705	PJGDGRUIGLIMFC-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCN[C@H]1CCCC[C@H]1CCCCCC1CC1	1941688020	RADWZMRXCCYRSH-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)n1ccc2cc(F)ccc21	1942661179	MUUINJJXMDNLEK-LBPRGKRZSA-N	233.330	4.778	0	10	BJAE	
CC(C)CCC[C@H](O)[C@@]12CCCC[C@H]1CCC2	1944147327	SMNIQBKBMDZGOP-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CCCC(=O)C(C)(C)C)C1	1944199786	PYGCOZOAMYEORN-WDNDVIMCSA-N	238.415	4.844	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944202002	GSKKHQUKSZRONF-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CCC1(C[C@@H](O)C(C)(C)C2CCCC2)CCC1	1944621975	IQSQXKBUEQUYCY-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CN)CC1CCC(C(C)(C)C)CC1	1945809073	QRJNRHPJZWQKPM-SHARSMKWSA-N	239.447	4.604	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCC[C@@H]1C(C)C	1947464205	QPOYBBLCMMNYGZ-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CCC[C@@H]1CC1(C)C	1947516841	WPAJQMWOWIKJDP-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CCC(F)(F)CC	1947887483	VYXZCEPBVIBPKC-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)CC1(C)CCCC1	1948982157	KRFCNBCFAPBNPU-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C(C)(C)C2CCCC2)C1	1949506024	MOMWCHCUTPUYNR-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@H]1CCC(C)(C)C1	1949534511	DWDXVNGBZGLLKC-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H]2CCC(C)(C)C(=O)C2)C1	1949657143	YIFXUFXOJLSKQA-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CCC[C@@H](C)CC2)CCC1	1950929277	GDXDQIBPXHOWKR-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC=C[C@@H](C)Cc1cc(C)c(OCCC)cc1C	1951309108	UYMUHJLCXPCYHE-CYBMUJFWSA-N	246.394	4.847	0	10	BJAE	
CCC[C@H](C)CN(C)Cc1ccccc1C(C)C	1964258013	DKFHIPDQDJOXRE-HNNXBMFYSA-N	247.426	4.678	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccc(C3(C)CC3)cc2)C1	1967842354	HVEAJIJOLNHRQF-CZUORRHYSA-N	243.394	4.729	0	10	BJAE	
CC(C)(CCN[C@H]1CCCC2(CCC2)C1)C1CC1	1972637234	KQZXMTHIKJFGRT-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1cscc1N[C@H](C)C1CCC(C)CC1	1975959714	VBPWCAWVQSBYMN-YXMLORGKSA-N	237.412	4.683	0	10	BJAE	
CCCCC[C@@H](NC)C1(C)CCCCCC1	1978539500	VMVLKNUZBGBVTK-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCCN(CC(C)(C)C(C)C)[C@H](C)CC	1978896918	VCNZJEQUMXBTLR-CQSZACIVSA-N	227.436	4.569	0	10	BJAE	
CC(C)C(CCC(=O)c1cccs1)C(C)C	1988296668	YLTCIIZIHKEDHT-UHFFFAOYSA-N	238.396	4.639	0	10	BJAE	
CCCCCC[C@@H](O)CC1(C(C)C)CCC1	1989443459	WERFNEVWYQZVID-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)CC(=O)C1(C(C)(C)C)CCC1	1989453054	HZGZWFZFZXUHCN-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)=CCC(=O)C[C@@H]1CCCC(C)(C)C1	1994027357	ZQEHIDQXGLCWGE-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CC(C)=C(C)CNc1cc(Cl)c(F)cc1C	1995049896	CRTAUZNHKBYEBW-UHFFFAOYSA-N	241.737	4.556	0	10	BJAE	
CCCC[C@H](CC)CN1CC[C@H](C)C[C@H](C)C1	1995764373	PCOIQESDNYMQMG-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
CCC(CC)CCN(C)CCCCCC1CC1	1995888655	OVZPUMYMIGIOGO-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@H](C)C(C)(C)C)CC1	1996588624	HQILRAAJZIYQRG-HTHKGWQXSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@H](C)CCC(C)C	2000377047	SGCGCZKDXLCPHH-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@@H]1C=CCC1	2000503850	BICPJIHVYHKUAQ-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H]1CC12CCCC2	2001254586	KFZACZXDLCFKJW-SQWLQELKSA-N	237.431	4.501	0	10	BJAE	
CSc1cccc(NC[C@]2(C)CC=CCC2)c1	2001700740	STRYNDQBVRWELV-OAHLLOKOSA-N	247.407	4.567	0	10	BJAE	
CCC1(CC)CCC(N)(C(C)(CC)CC)CC1	2004347801	YNMDETQZWFENRF-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CCC1(C)CCC(O)(C[C@@H]2CC[C@H](C)C2)CC1	2004353962	UHZFDASTIJJENV-QRNKSROTSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)NC1CCC(C)(CC)CC1	2004368466	CYQHLCZTBIISJA-UHFFFAOYSA-N	239.447	4.904	0	10	BJAE	
CCCC(CCC)CNC1CCC(C)(C)CC1	2004711712	MQGSKFBTIFQOBJ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)CNCC[C@@H]1CC=CCC1	2004720570	ZQVROUKHCGZSSR-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCN[C@@H]1C[C@H](C)C[C@@H](CCCC(C)(C)C)C1	2006624724	RZICPARTICVABP-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(C)(C(=O)CC2CC=CC2)CC1	2007681933	SKTZPZIIQLCCFS-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC=C[C@H](NCCC)C1(C)CCC(C)(C)CC1	2007691439	SGZHZXKRXVLUFX-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CSc1cccc(NCC2CC(C(C)C)C2)c1	2007808935	VGTWYGXWGAEJLZ-UHFFFAOYSA-N	249.423	4.503	0	10	BJAE	
CCC1(CC)CC(NCCCCCC(C)C)C1	2009324756	YINAGOZPTGSHAD-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC1(CC[C@@]2(N)CCCC[C@@H]2C(C)(C)C)CC1	2009551827	KOTIKEKSVPLRGN-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H]1CCC[C@@H](C)CC1	2009598252	LZNKWCDVQXLGAK-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](N)c1ccc2sccc2c1	2009612769	ZPGPXZMQNWGYRI-HSWBROFVSA-N	245.391	4.648	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C(C)(C)C1CC1	2009616932	NKXOPKHBFXNVPY-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@H](O)CC1=CC[C@H](C(C)(C)C)CC1	2010711632	BZUOMGIBJMZZGU-UONOGXRCSA-N	238.415	4.556	0	10	BJAE	
CC(C)CC(=O)CC1=CC[C@@H](C(C)(C)C)CC1	2010782386	DFMLCLODKWIQRS-CQSZACIVSA-N	236.399	4.764	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC[C@H]1C[C@H]1C)NCC	2011581701	YODIWKWZXNQPPO-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](C)C1CC2(CC2)C1	2012412491	OQRJYOUFSZAKEO-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)NC1CCC2(CCCCCC2)CC1	2013210871	CUFZGCJEGABKOK-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@@]1(C)C=CCCC1	2013265994	BPBFQFBJGUCATE-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C[C@@H](C)C(C)C	2015271742	OEYVIDCMRZAYAQ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CC[C@@H](CC)C2)CCC1	2015643525	CWXPMCBNKDGGDL-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](N)(CC1(C(C)(C)C)CCC1)C1CC1	2017148134	KYBCWSBWGYEXJV-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@@H](C)CCC)CC1	2017721469	KNOPNUBNTOMEGH-LBDPXKHJSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@@H](C)[C@H]1C	2018138702	JKQSQLWVJBGVPI-LVQVYYBASA-N	239.447	4.760	0	10	BJAE	
CCCC1(CC(=O)[C@H]2C(C)=CCC[C@@H]2C)CC1	2018938579	QLIYKRAOLHVOMT-ZFWWWQNUSA-N	234.383	4.518	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@@H](C)C1CCC1	2019767229	LBDZOFPIVLNSGD-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)c1csc([C@H]2C[C@@H]3CC[C@@H]3C2)n1	2022190356	WMOHLSCQVAVUJE-ZSBIGDGJSA-N	249.423	4.734	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)C[C@H]1CC[C@H](CC)CC1	2022416437	CNOXVNYATUYTDI-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(CC=C1CCC1)CNC(C)C	2023260995	XUIRIQAAAMJEHY-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCNCCC(C)(C)C[C@@H]1CCCC(C)(C)C1	2024094555	KZZHRCXJOYYEBS-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)CCC(C)(C)C2)C1	2024095160	PLPYGCQGLDMFGE-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@@H]1CCCC(C)(C)C1	2024118810	OTGVJRDQMGPSDI-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)c1cc(C)c(C)o1	2027737981	VDEFDPFWCVRJHB-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1ccccc1C1CC1	2028559193	DMRUUAGVXMNBDO-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CC(C)(C(=O)C1[C@@H]2CCCC[C@@H]12)C1CCCCC1	2033469424	HLJMTSUGHABORF-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
N[C@H]1[C@H]2CCCC[C@@H]2C[C@H]1CCC1CCCCC1	2034269075	OITVLYLFJRLQAG-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC=C[C@@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1	2034977212	IEGKZKFHWROQGU-ZIAGYGMSSA-N	245.410	4.599	0	10	BJAE	
C1=C[C@H](CNC2CCCCCCCCC2)CCC1	2035889402	VJBPXJSNUCUYJL-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCC[C@@H](n2ccnc2C2CCCCC2)C1	2036777036	VJAWXBAQBNGRPO-UKRRQHHQSA-N	246.398	4.682	0	10	BJAE	
CCC1([C@H](N)c2ccccc2C2CCC2)CCC1	2037085355	QWZLQFSEAAJIFE-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)([C@@H]2CCC3(CCCC3)C2)C1	2037596140	YCBBOTZSGRSCKV-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCCC1)NC[C@H]1CC12CCCCC2	2039092094	NBVILOJDZCDRES-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)NC1CC2(C1)CC1(CCC1)C2	2039459855	IFIIWXAOZREVST-CQSZACIVSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@H]1CC)C1(C)CC=CC1	2042018480	FWSIYWFVWNSINV-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H]([C@@H]1CC=CCC1)[C@@H]1CCC[C@@H](C)C1	2042019518	OTIGRCYOMQIRPM-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N(C[C@H]2CCC=CCCC2)C1	2045314101	GWKOYVPTHGUWPW-BBWFWOEESA-N	249.442	4.633	0	10	BJAE	
CCCC1(C(=O)[C@H]2CCC3(CCCC3)C2)CCC1	2045563282	IANLOCJXOIQSJD-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CC23CCCCC3)C1	2047017203	UHQHIBGJGWZTNW-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC[C@]1(C[C@H]2[C@H]3CCCCC[C@H]32)CCCCCN1	2048451039	IQYASKCYCBHRRN-YYIAUSFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](N)C[C@H]2CCCC3(CC3)C2)C1	2049934340	WKZRMVGODVAZQJ-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C[C@@H]2CCCC3(CC3)C2)C1	2049934342	WKZRMVGODVAZQJ-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@H](O)c1ccc(C)cc1	2050442554	WYTGHQDFJWUOSB-PVAVHDDUSA-N	246.394	4.635	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@H](C)C1)c1ccco1	2050525635	QAGHMJSUGUIYTH-SOUVJXGZSA-N	249.398	4.537	0	10	BJAE	
CC(C)=CC[C@]1(CNC2CC2)CCCCC1(C)C	2053380246	BXQQJHXPRUMUFI-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CCCC[C@@H]2F)cc1	2055250211	NCSYAYVNTVQJHN-GJZGRUSLSA-N	248.341	4.521	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)C[C@H]1CCC2(CC2)C1	2056457665	QPRWIYXMKDPWEU-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1CCC([C@H](N)C=C2CCCC2)CC1	2056879014	PBKNMYBROZTYMZ-UYSNPLJNSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1[C@H](C[C@@H]2CCC=CCCC2)CC[C@H]1NC	2058735977	YPDXBERJRBHFHO-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2058991261	IGMLUZZYOWRUSU-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C1CC2(CCCCC2)C1	2059180203	IQSJFUAVKFQMRP-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCN(C)C1CCC2(CCCC2)CC1	2059203543	LJOOGJHJQQFUGA-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC=CCCCN(C)[C@H]1CCC2(CCCCC2)C1	2059205147	DSBYLQSRIZTTMD-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC=CCCC[C@@H](C[C@@H]1CCC12CCC2)NCC	2059246508	DGQSBZKIIMMPPS-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCCCCC1CC(NCC2(C3CCC3)CC2)C1	2059394334	TYXUUPFFBWKBCU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C1=CC[C@H](CC)CC1	2061141206	UAEYWMVYWONILW-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)C(C)(C)C2CCCC2)CC1	2061148154	STBVIHPOEPJIEQ-XJKSGUPXSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC[C@]12CCC[C@@H]1C2)CC1CCC1	2061575119	OUPWLIWMSGHXNT-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)CC[C@]23CCC[C@@H]2C3)C1	2061601590	IOVICUVPMUWQLQ-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(CCN[C@@H]2CCCCCC23CC3)C1	2062024092	ROAKUIOIXNYZSR-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CC(N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063489684	GIIWNGVCYJARSJ-QKDCVEJESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](Nc1cccc(C)c1F)c1occc1C	2063670844	GSIKRFWYVBJHIN-GFCCVEGCSA-N	247.313	4.599	0	10	BJAE	
CCC1(C)CC(NCCC23CCC(CC2)CC3)C1	2065267650	KVTOCKALSIAEOR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCC1CC1)CC12CCC(CC1)CC2	2065332093	CAJGNHGMFWBYIR-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068704553	RARAVRHXIDFMNV-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068704556	RARAVRHXIDFMNV-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2069343135	WLIWKBSEUHPCSG-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C1(CC2CC2)CCC1	2069522806	AXYAKRUCJFNWMT-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@@]12CCC[C@H]1C2)C1(CCC)CC1	2070971658	OFCFCMHLEBEWGA-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@@H]2CC[C@@H]3C[C@H]23)cc1	2071223771	IMLHDYXOFZAIQH-GUSZCTEKSA-N	244.378	4.625	0	10	BJAE	
CC(C)(C)C1(C[C@@H](N)[C@@H]2CC23CCCC3)CCC1	2071919889	PGICPJMOJAMMMO-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(CC2(N)C3CCCC2CCC3)CCC1	2071948835	GPVMDGGDBUNKDU-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)CNC1CC2(CCC(C)(C)CC2)C1	2072408010	NWMTWNDTLVAXCU-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@@]1(CC(C)=C(C)C)CCCC12CC2	2072411529	QKAUQGXGGYQBGS-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C[C@H]1CC[C@H](C)CC1	2072799722	WMEIVSGVUCYNKK-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccccc1NC[C@@]12CCCC[C@H]1C2	2074045231	DJBSOCPRCXNHMW-YOEHRIQHSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)c1cc(C)co1	2074652308	WACPJTNTLICMOH-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CN(C1CCC2(CC1)CC2)[C@H]1C=CCCCCC1	2074799493	MEXPQRJXGAIVDX-HNNXBMFYSA-N	247.426	4.530	0	10	BJAE	
C[C@H](C1CC(C)(C)C1)N(C)[C@@H]1C=CCCCCC1	2074811035	SVRGKIBRCZMGDK-GDBMZVCRSA-N	249.442	4.632	0	10	BJAE	
C1CCC2(CC1)CC[C@H]2N1C2CCCC1CCC2	2075007641	AUGQSTQSAYBERR-UYSNPLJNSA-N	247.426	4.506	0	10	BJAE	
Cc1ccc([C@@H]2CCCCN2[C@H](C)CC(C)C)o1	2075098205	NITVXDWFYNXKDA-HIFRSBDPSA-N	249.398	4.550	0	10	BJAE	
c1ccc(C2CC2)c(NC[C@H]2CC23CCCC3)c1	2077263956	HAWOYXAULLIOLF-CQSZACIVSA-N	241.378	4.556	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@H]1C1CCCCC1)C1CCCCC1	2079839068	PQONQDSCBUFGHC-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@]12CCCC[C@H]1CCC2	2079840679	DKIDRYAXSUTEEP-PNBKFKSVSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C=C2CC(CCN)C2)CC(C)(C)C1	2082972820	MLYCVOABIBPEQH-UHFFFAOYSA-N	249.442	4.524	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@](C)(N)C2CC3(CC3)C2)C1	2082978837	JTWSVUJRZAEHKK-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1C[C@H]2CCC[C@H](C2)C1	2213285417	QKOGURKUTSFBQZ-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C1(C)CCC(C)(C)CC1	2215326656	ZWYDSRAERQWACH-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CC1)C(C)(C)CCC	2216282118	GMAPPWWIZLZNGB-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H]2CCC[C@H](C2)C1	2218333957	LOGIHHXNWZPANQ-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1	2218360506	CTLROLVIEFFMSG-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@H]1CCC2(CC2)C1	2218730878	KRRPTUYZPKUIOQ-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](c1c(C)cccc1C)C1(CC)CCC1	2222008801	JSNVFJQQJNBQBW-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)c1c(C)cccc1C	2222012829	BLVLHBCLFJIZAC-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CC[C@]1(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCN1	2222975998	CBXGKOSRXWWZQI-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	2222981060	NDTQQVALIUCDQM-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)c1ccc(C2CCC2)cc1	2223699276	WHNCXFUIGSSETG-CXAGYDPISA-N	245.410	4.636	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc(Cl)cc1C	2244785081	VXSCIGDGZGELOF-NSHDSACASA-N	238.758	4.657	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)[C@@H](CC)CCC	2244785579	QTOZYIXDBWUGQK-SOUVJXGZSA-N	228.420	4.780	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1(C)CCCCC1	2244787420	CWCKIWVYGVQWAH-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cc(C(F)F)cs1	2244803287	SABULGBUTIPZHO-KCJUWKMLSA-N	247.354	4.512	0	10	BJAE	
CC(C)(C)C[C@H](N)CC[C@@H]1CCCCC12CC2	2246630082	LMFWASUCGGIBIG-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)CNCC[C@@H]1CCC[C@@H](C)C1	2246683974	JEULPPFVTWHVDJ-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](C)(CNCC)C[C@@H]1CCC1(C)C	2247316439	YDTFLJFUNZRPAE-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H]1CCC12CCC2	2247435325	UCLKMIJAKQMFQL-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCc1ccc(CNc2csc(C)c2)cc1	2248202275	VFYQSDDXJLOESG-UHFFFAOYSA-N	245.391	4.621	0	10	BJAE	
Cc1cc(N[C@H](C)CC(C)(C)C)cc(C)c1C	2249491693	VLWXPLOVLWQLPM-CYBMUJFWSA-N	233.399	4.848	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCC(N)CC1	2250478050	DWSLMMPXGNMUNB-IURRXHLWSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@]12CCC[C@@H]1CC2	2251164818	ZHLLLZFBBVGESG-CJNGLKHVSA-N	236.399	4.742	0	10	BJAE	
Cc1ccccc1C(=O)C[C@@H]1CCCCC12CC2	2253786882	ZFJDLKOGRAZOIP-AWEZNQCLSA-N	242.362	4.538	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@H](C)C1CCC1)CC2	2253866997	SEBIAFCLXYVUSK-BBRMVZONSA-N	243.394	4.548	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(N)CC1CC2(CCCC2)C1	2254115470	OYECOGFIBHJBRT-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CCCC[C@@H]2C[C@H]2C)c1	2254588029	RLNHUAHPPUMVCA-BFYDXBDKSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)CCC2(CCCCC2)C1	2255015648	SUAIEPHUSJWCTI-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1CC1=CCCCC1	2255137228	NOOZUGXPLBLDIY-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
Oc1c(CC2=CCCCC2)ccc2ccccc12	2255176193	PHZKQIDIABWEPO-UHFFFAOYSA-N	238.330	4.588	0	10	BJAE	
CC1CCC(C(=O)CC[C@H]2CCCC23CC3)CC1	2255313662	SHRPNORZTYFAIR-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CC2CC3(CC(C)C3)C2)C1	2259583452	UHMVPWWFLIXALZ-QIBWPRNXSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@]23CCCC[C@H]2CC3)CCC1	2260509595	WLBIIBKCDWHOLE-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@](C)(CC[C@@H]1C[C@@H]1C)CNC(C)C	2298127619	DJYORCWDTVDBHG-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@H](C)CC1CCC1	2298918450	WWDCGKNCXPXUES-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@]12CCCC[C@@H]1C2	2300502406	ZUFKIHNYAZRZDL-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC(=CC[C@]1(C)CCC(=O)C1)CCCC(C)C	2300865661	QCFKJTUCXKHZGI-MRXNPFEDSA-N	236.399	4.908	0	10	BJAE	
CCN[C@@H]1CC[C@@H](C)CC[C@@H]1CC=C(C)CC	2300927746	YCIMWXTWSNEUPR-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@](O)(CC2CCCCCC2)C1	2301207325	JKUIHZIRDULMEE-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC1([C@@H](CC2CCCCCC2)NC)CCC1	2301245534	XRBVYYXZCPSURI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCC1CCCCCC1)CC(C)C	2301245579	XZMSHKVACCWNMB-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
O=Cc1cccc(SCC2CCCCCC2)c1	2301245986	BEYAQNKRJHUJPU-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
C[C@](N)(CCCC1=CCCCC1)CC1CCC1	2302331409	LODKNULZQNRUSJ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC(C)(C)CCC(=O)CC[C@@H]1CC[C@@H]1C1CC1	2303154124	IGILEDYIQSOOAT-UKRRQHHQSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC[C@@H]1C(C)(C)C	2303398590	MUUDUTXGHZUFKZ-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CC)CC[C@H]1CC[C@H]1C(C)(C)C	2303474498	YOWOZLDRQGWQQA-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](O)(CC)[C@H](CC1CC1)C1CC1	2303838670	HQXHVHSXBXDJBI-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CC(F)(F)CCC(=O)CC[C@@H]1CCC(C)(C)C1	2304423080	OLCXZBDPNAMOPM-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
Clc1c(OC2CCCC2)ccc2ccccc12	2307639520	YFEJVNDBYZBIGW-UHFFFAOYSA-N	246.737	4.815	0	10	BJAE	
CCC[C@H](CC)C[C@]1(C(C)C)CCCCCN1	2307824134	UUMUGTHOCTYXEF-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CNCC)C1CCCC1	2307845988	SKAUAJKGDMZESO-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)CCC)c1ccoc1	2307908923	IUMAPMOWDXYBJO-HIFRSBDPSA-N	237.387	4.537	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)CC[C@@H]2C[C@H]2C)cc1	2311274558	KWRCHZQJUXXCQD-BQGCOEIASA-N	246.394	4.670	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H]1C[C@H]1c1ccccc1	2311609907	VCEZOMQHXVONPW-KBMXLJTQSA-N	244.378	4.576	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@H]1C[C@H]1C1CCCCC1	2311610443	QXKBXAIUCNMXFZ-UTXMOHQDSA-N	248.410	4.598	0	10	BJAE	
c1ccc2c(c1)ccn2C(CC1CC1)CC1CC1	2313686124	HYQIQINBMAJRLK-UHFFFAOYSA-N	239.362	4.783	0	10	BJAE	
CC(=CC[C@@]1(N)CCCC=C1C)CCCC(C)C	2316501887	ICZIRUODABHKFF-KRWDZBQOSA-N	249.442	4.977	0	10	BJAE	
CC(=CCN1C[C@@H]2CCCC[C@H]21)CCCC(C)C	2316512930	LODPMFKLYJPXIY-DLBZAZTESA-N	249.442	4.633	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2316539035	ZQCOJYSBXWJQLL-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)[C@H]1C[C@H]2CCC[C@H]1CC2	2316744473	OLUZWBAUKBKCDB-UGUYLWEFSA-N	246.394	4.518	0	10	BJAE	
CCC[C@]1(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCN1	2316875602	XCXLQISXMVVHTH-LUKYLMHMSA-N	249.442	4.515	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@H]1CCC[C@H]1C	2317562072	PLGJAASXIQHFJW-DGCLKSJQSA-N	245.341	4.525	0	10	BJAE	
CC(C)c1ccc(F)cc1NC(=N)C1CCCC1	2317938422	IQBVMIUMFDIWHV-UHFFFAOYSA-N	248.345	4.528	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCCCC1=CCCCC1	2318529596	RVRSBCTYBHFDBQ-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
O=C(CCC1CCCC1)CC[C@H]1CC[C@H]1C1CC1	2319691545	ZKQLOEADLSTZRD-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1OCC[C@H]1CC[C@@H]1C1CC1	2319748603	KLSQOOHOFYZFJH-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@]2(C)CC=CCC2)CC1	2320346842	GZPUSIZWQXDFAZ-IXDOHACOSA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@H](NCCCCC[C@@H]2C[C@H]2C)CC1	2320368525	IFFURAGLXGFRKP-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@@H](C)C1CC1	2320388917	VMGZYEARCJEJAM-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@H]2C[C@H]2CC(C)C)CC1	2320396802	DYXGCSIGYGMZJV-VQHPVUNQSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](CNCC2(CC(C)C)CC2)CC1	2320413583	UHGULKNKVIKLFB-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)C1	2321610586	IUCPSCGGAVEYMI-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@](CN)(CC[C@@H]2CCC(C)(C)C2)CC1	2321618111	ARRIGWSZMLKXRA-DOTOQJQBSA-N	249.442	4.668	0	10	BJAE	
CC(C)c1cccc(NC[C@@]2(C)CC2(C)C)c1F	2327803758	HHMARPFXBKLJRX-MRXNPFEDSA-N	249.373	4.797	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cccc(C(C)C)c2F)C1	2327807215	CZQXJSSJXGPLCZ-QWHCGFSZSA-N	249.373	4.940	0	10	BJAE	
CCCCCC(=O)c1ccccc1OC(C)(C)C	2327894651	VDYWLVFSTNUFGH-UHFFFAOYSA-N	248.366	4.627	0	10	BJAE	
CC(C)C[C@@H](C)Nc1cccc(C(C)C)c1	21010895	NOGVFMOMMSHWSS-CYBMUJFWSA-N	219.372	4.657	0	10	BJAE	
CC[C@@H](NCCC1=CCCCC1)c1ccccc1	21519468	NFEUVLPFAPVYTK-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
O=C1CC2(CCCCC2)CCC12CCCCC2	32221291	BKABACUMJFHLRR-UHFFFAOYSA-N	234.383	4.640	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H](C)CC(C)(C)C)s1	36889533	SMEDYYTXHPEWAY-CMPLNLGQSA-N	239.428	4.519	0	10	BJAE	
CCC(=O)c1ccc(-c2ccc(C)cc2C)cc1	38071749	KDTWBCFCAJANBX-UHFFFAOYSA-N	238.330	4.563	0	10	BJAE	
Cc1c(Nc2ccccc2)ssc1=S	59520054	BMSDLVGSQRICBM-UHFFFAOYSA-N	239.390	4.591	0	10	BJAE	
CCCC1CCC(N)([C@@H]2CCC[C@@H](C)C2)CC1	71154177	DBZZNCCRJAELRI-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
Clc1cccc(Cl)c1NC1CCCCC1	75183599	YGTIVFOYSCVLMX-UHFFFAOYSA-N	244.165	4.738	0	10	BJAE	
CCC1CCC(CCC(=O)C(C)(C)C)CC1	82856574	ATOCOVZASWNLPW-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CC)COc1ccccc1C	85149635	DXIYWVCDDSIXKJ-CQSZACIVSA-N	220.356	4.590	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)C1CCC(C)(C)CC1	87942765	KKODMJOUWCWNMM-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](CNC(C)(C)C)c1ccc(C)cc1	93190204	VKJHXFHKCOALLP-GDBMZVCRSA-N	247.426	4.513	0	10	BJAE	
CCC[C@@H](C)CC1(CNC(C)C)CCCCC1	110200456	ZJLFQHWPMZIFHW-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC1CCCC1)c1cc(C)oc1C	110227560	ROPHSYAFOUFMQI-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)(C)C)c1ccc(C)cc1	111648189	LCIBODOLFFGIGK-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
CC[C@H]1CCC[C@@H](Oc2ccc3[nH]ccc3c2)C1	126527982	LOQQTNXKFIGVEE-GXTWGEPZSA-N	243.350	4.516	0	10	BJAE	
CCCCCC[C@@H](C)[C@H](NC)c1ccccc1	128424874	SLUOJKRPSDZWDS-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)CC(CC)CC	128666596	ARJZCWUDPHGBEX-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
Cc1cc([C@@H](N)C[C@@H](C)CC(C)(C)C)cs1	129389124	MMGRWQRAXZFZNB-MFKMUULPSA-N	239.428	4.519	0	10	BJAE	
O=C1CCCC[C@@H](c2ccc(C3CCC3)cc2)C1	133474698	MTAYXDKLRFIFAF-MRXNPFEDSA-N	242.362	4.571	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CC1CCCCC1	148210643	FFPFBXXXDBYNMU-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCCCC[C@@H]1CCCCC[C@@H]1CNC(C)C	157877372	GUGQCJUZHMNDBG-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H]1CC[C@H](CC)C1	165897030	ZJFFJKRYJCYZGX-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@]1(C)CC[C@@H](NCCC)C1	167128036	ZBJAGNZLZFINED-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
O[C@@H](c1cccc(C2CC2)c1)C1CCCCCC1	167653147	KCZWBYVRRASXHX-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCCCCC[C@H](NC)c1cc(C)c(C)cc1C	168624168	AWMGYAPNZUHEPR-KRWDZBQOSA-N	247.426	4.843	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@@H]1CCC[C@H](CC)C1	169193328	UHYQKGLHGJIJAA-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CCc2ccccc21	225985681	YNWGWPWFZORVFF-NVXWUHKLSA-N	245.410	4.622	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCCCC1(C)C	225986457	NLYFRJUURGVOLA-GJZGRUSLSA-N	239.447	4.904	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H](C)CC[C@H]2C)cc1C	227002533	VVWJZBCHPNEXPH-AXAPSJFSSA-N	231.383	4.540	0	10	BJAE	
CCCCCC[C@@H](N)C[C@H](CC)CCCC	228737303	RFGQSTUOHLDJFP-HUUCEWRRSA-N	227.436	4.891	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)C1(CC(C)C)CCCC1	229272024	HKVQELRGZFKHHA-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CC1CCCCC1	229330205	YBQRDHODJFXZNV-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
O=C1CCCC[C@@H](c2cccc(C3CCC3)c2)C1	229634144	GPLGAEXKWNKIHF-MRXNPFEDSA-N	242.362	4.571	0	10	BJAE	
CCCN[C@@H](c1c(C)cccc1C)[C@@H](C)CCC	233176369	XHBMHMMFMCBWJQ-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@H]1CCCC(C)C	250774445	HQVZVTSZQNKWSE-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](C[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCCCC1	250838898	LLFPQGGXRLORPU-LLLHUVSDSA-N	249.442	4.501	0	10	BJAE	
C1CC[C@@H]2[C@H](C1)[C@@H]1CCC[C@H]3CCC[C@H]2[C@H]31	263589133	FEBHUAJIEVOXIJ-ZUBBGQSFSA-N	218.384	4.639	0	10	BJAE	
Cc1cccc(N[C@@H](C)C2CCCC2)c1Cl	300926146	VDTSOEYAFWEGAA-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)c1ccc(CC)c(CC)c1	302292216	CXDCBZWIKJSETR-CXAGYDPISA-N	248.410	4.671	0	10	BJAE	
CCc1cc(Cl)c2cc(CC)sc2c1	307294199	NAUXQEKZRXFEAR-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCC/C=C(/CCCC)c1ccccc1O	309057205	ALYPNFOVSAOYOX-LCYFTJDESA-N	218.340	4.766	0	10	BJAE	
CCC[C@@]1(CC2CCCCC2)CCCCCN1	309947617	ASYXPAZWHRLDAN-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](O)C2CCCCCC2)C1	310115732	GYUKXNMPNDPNJR-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2CCC(C)(C)CC2)C1	310186497	XQUZXJUAJBTNDA-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CCC[C@H]3C[C@@H]32)cc1	310891956	YJVRBTWFXMBLJT-ZFZWDLNGSA-N	243.394	4.801	0	10	BJAE	
CC[C@](C)(CNC(C)C)[C@@H]1C=CCCCCC1	317791596	XJSSAMLGEKGTJT-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@]1(CNC(C)(C)C)CCC[C@H]1C	318111426	AHZUQZBGUHBXNA-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@H](C)[C@H](C)CC	319132662	JBWOOPMUJNTPTO-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1N[C@@H](CC)C1CCC1	322287305	PSDBHGHXNVWVHZ-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H](Nc1cc(C)ccc1Cl)C1CCC1	322373689	JZOHADNBDFRHPD-CYBMUJFWSA-N	237.774	4.639	0	10	BJAE	
CCC[C@H](Nc1cc(C)ccc1C)C1CCC1	322507506	FXRRSPVSJBTNSE-HNNXBMFYSA-N	231.383	4.684	0	10	BJAE	
CCC[C@H](NC(CC(C)C)CC(C)C)C1CC1	324090685	HDVDGLZJWHRKLK-INIZCTEOSA-N	239.447	4.616	0	10	BJAE	
C[C@H](N[C@H]1CCCC12CCCC2)C1CCCCC1	328179319	MUCKPVVWRUIPQO-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CC[C@H](O)[C@@H](CCCCCC(C)C)C1	383185789	VRWNKTDBAZKVMA-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C(=O)C[C@@H](C)c1ccccc1)C(C)C	385240032	VBMFCEQFFVSLAP-CQSZACIVSA-N	246.394	4.678	0	10	BJAE	
O=C(CCC1=CCCCC1)CCC1CCCC1	385646988	DRFNFTHOFFKAHX-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)c1cccc(C)c1C	386139555	AOWMOEHHWQHBRI-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
COc1cccc2sc(C(F)F)c(Cl)c12	396180857	GLZKUWJKRCGPPA-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1cc(CC)c2c(CC)csc2c1	396205450	LASWAYMPAQIMKB-UHFFFAOYSA-N	218.365	4.589	0	10	BJAE	
CCc1ccc2c(C)csc2c1C(F)F	396231097	XHTLINHQCQUJSJ-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCOc1c(C)ccc2scc(C(F)F)c12	396233810	CQFNXBJHYKDLQK-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCCc1ccccc1N[C@H](CC)[C@@H]1CC1(C)C	397587215	AYIKEVUBHHEEAO-LSDHHAIUSA-N	245.410	4.876	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCC1CCC1)NCCC	398647949	AIYMETGXSHSLKK-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CCC1)C(C)(C)CC	398697570	IXOFEPVYYMZALV-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)CC1CCCCCC1	401026422	KFUVTCTYJFUVDH-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CN[C@@H](C)c1ccccc1	401593490	TWMYBYJWFZCYMT-UXLLHSPISA-N	245.410	4.554	0	10	BJAE	
C[C@@H](Nc1cc(Cl)cc(Cl)c1)C(C)(C)C	687711553	REEBBYLMXBAMBW-MRVPVSSYSA-N	246.181	4.840	0	10	BJAE	
CC(C)NCC1(CCCC(C)(C)C)CC=CC1	690480158	RJDVAZONMLODEL-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](NCC)[C@@H]1CCCCC[C@@H]1C(C)C	691102573	KVDYBGIDRGIHBC-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CCC[C@@H](C)C1	697759300	NSHCZDNLIHBMSH-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCCC(=O)c1cc2c(s1)CCCC2	697838363	YBEWHKIQSFWNJR-UHFFFAOYSA-N	248.391	4.556	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	697845311	PSXKCVJSJPJURD-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
Cc1ccc(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)cc1	699078201	OEZADKHPILLTPS-GUYCJALGSA-N	244.378	4.640	0	10	BJAE	
Cc1ccc(-c2ccc(C3CCC3)cc2)c(O)c1	699715981	AVXCLANTSPWUCP-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C(C)(CC)CC	701148511	PPFDISFBCVKBFH-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)C1CC(C)(C)C1	701472395	WYDUNZGAKKKDOS-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NCC2=CCCC2)CC1	702332610	IHINPZSQPMWCIS-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@]1(C)CC1(C)C	705301393	PETTWVRULKAVJU-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](N[C@H](C)C(C)(C)CC)c1ccsc1	710056219	DKSPLHFMUSZLRD-DGCLKSJQSA-N	239.428	4.614	0	10	BJAE	
CCc1ccc([C@H](O)C[C@@H](CC)C(C)(C)C)cc1	711212616	VLEZNOWECBVMJR-HZPDHXFCSA-N	248.410	4.745	0	10	BJAE	
CCCNC[C@@H](CC(C)(C)C)c1ccc(C)cc1	713138361	FAFVFDBBRZCWCL-MRXNPFEDSA-N	247.426	4.514	0	10	BJAE	
CC(C)C(C)(C)CC1(CNC(C)(C)C)CCC1	713213423	SAIRVZUBALHQFV-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCNCC1(CC(C)(C)C)CCC(C)(C)CC1	713295837	GPRACVHOEKOKQK-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CC(=O)CCCC(C)(F)F)CC(C)(C)C	718658432	FOZLENGVKKPSNR-LLVKDONJSA-N	248.357	4.843	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCC(C)=C(C)C)CC1	718724927	XMZOIYDZVHSYTA-SHTZXODSSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC=CCCC1	718974937	HGBUMHMGEIDDOP-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
Cc1sccc1-c1ccc(Cl)c(F)c1	722410592	XXULNWISMYCESJ-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
CC[C@@H](C)c1ccc(OC[C@@H]2C[C@H]2CC)cc1	723152377	HKKCYIXNNDITSQ-NFAWXSAZSA-N	232.367	4.625	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CC[C@@H]2CCCC[C@@H]2C1	723645241	HIEJAOYMZJVTTB-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@H](C1CCCCC1)C1CC1	723984647	XUXPFXWYUSMDMM-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
C/C=C/CCCC[C@@H](C)CC(F)(F)F	1885360352	AFNKFBZHUZETJX-HMDXOVGESA-N	208.267	4.711	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H](C)CC(C)(C)C	1905434015	IWQVXXPWSXUGMB-STQMWFEESA-N	226.404	4.844	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCC[C@@H]2C[C@@H]2C)CC1	1908594352	FOFGHERJOQWZLC-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CC=CC[C@@H](C)c1c(C)c(C)cc(C)c1C	1911814666	MWYQEPYTPRNTCM-LLVKDONJSA-N	216.368	4.990	0	10	BJAE	
CCC(C)(C)CCC1(O)CC2(CCCCC2)C1	1912690166	ADLQOUPVPLACTD-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC1(C[C@]2(CNC(C)(C)C)C=CCC2)CCCC1	1916338685	YXVNRYNXIJVURN-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@](O)(CC)Cc1ccccc1CCC	1919540047	VJSYDOHQLGWJIC-KRWDZBQOSA-N	248.410	4.513	0	10	BJAE	
Cc1ccc([C@@](C)(O)C[C@H](C)CC(C)C)c(C)c1	1919912963	CDURELFQODKTAV-PBHICJAKSA-N	248.410	4.583	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@H](C)C1CCCCC1	1924079499	WFLZMXYPJREWGT-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H](C)C1CCCC1	1924085037	APASUHSZOGHSKW-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@@H]1C=CCCCC1	1925915625	ANPMGUSUMRMLFG-CYBMUJFWSA-N	249.785	4.807	0	10	BJAE	
CC1(C[C@@H](N)C2(C)CCCCC2)CCCCC1	1940409763	POHXDIPLZPJIMM-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)c1cccc(-c2cc(Cl)ccn2)c1	1941119413	NLNYELVIKNOEFM-UHFFFAOYSA-N	245.753	4.700	0	10	BJAE	
CCN[C@@H](C(CC)CC)[C@H](CC(C)C)C(C)C	1941267434	RRJMKIQUNVBNKE-CVEARBPZSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)C(CC)CC	1941588102	YOVXUJAOVLIHRV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)C[C@@H](C)C1CCCCC1	1944618776	QKFVCXDYCHSYSV-HIFRSBDPSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H](C)CCCC(C)C	1947465456	VKAIFGBURZRLMU-BZUAXINKSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	1947860753	WSPQREHKAWVUHW-ZSHCYNCHSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](CC(F)F)C[C@](C)(N)CCC(C)(C)C	1949019556	XTLCZYVSOCCPOK-SMDDNHRTSA-N	249.389	4.602	0	10	BJAE	
CCCCC[C@@H](CC1CC2(CCC2)C1)NCC	1949736618	RQFGQOCUEGZTLY-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCNC[C@]1(C(CC)CC)CCC[C@@H](C)CC1	1950928787	AUTBOQIMGYBMCH-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC(CC1CC1)CC1CC1	1968858766	GBTONCJJCGDYAR-WBVHZDCISA-N	249.442	4.514	0	10	BJAE	
CCCC(CCC)[C@@H](CC=C(C)C)NCC	1981011495	WPRKLNYTDJIUTP-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCCCC[C@@](CC)(CNCC)C(C)C	1986399549	JMGGDMNLYWDMSJ-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@@H]1CC	1990092095	VFOYBIDKWXYBFY-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CC(C)CC[C@@H](C)N(C)[C@@H](C)c1cccs1	1990903193	IXTJWGVQCAXDGY-OLZOCXBDSA-N	239.428	4.566	0	10	BJAE	
Cc1cc(C(=O)[C@H](C)C(C)(C)C)ccc1Cl	1993194921	FSXJQWRRDBQGJY-JTQLQIEISA-N	238.758	4.513	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC(CC)CC	1995261741	HHZYWKIIERXANG-UKRRQHHQSA-N	227.436	4.747	0	10	BJAE	
Fc1cccc2c(C3CCCCC3)coc12	1995498213	LTQSAZHQGVTHQX-UHFFFAOYSA-N	218.271	4.620	0	10	BJAE	
CC(C)C[C@H](C)CN(C)[C@@H]1CCCCC[C@@H]1C	1995742735	AAINUVXQTWMJKM-HRCADAONSA-N	239.447	4.569	0	10	BJAE	
C[C@@H](C[C@@](C)(N)C1(C)CCCCC1)C(C)(C)C	1995985359	IWYZPOXSCQMNRY-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H]([C@@H]1C=CCCC1)C(C)(CC)CC	1998376236	BJVBKINQJKFXPE-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@H]([C@@H](O)C[C@@H]1CCC=CCCC1)C(C)(C)C	2000000304	AXCQTMBSJBUXDR-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)[C@H]1CCCC(C)(C)C1	2000161040	BZGLTYHLSAAQDC-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@@H](C)C(C)(C)C	2000295320	GODTWTVJZNQZMZ-GUTXKFCHSA-N	236.399	4.620	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@H](C)[C@@H](C)CC	2000389465	DIFNWFQZYNZNDC-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CN(C)C[C@@H]1CCCC(C)(C)C1	2002985124	NORMMFPTWLLCKN-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(O)CC2(C)CCCC2)C1	2002998323	KHUYYPWZCNWNJP-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CC1(C)CCCC1)NCC	2003177502	XSSCEOGUAGJYIY-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
Cc1cc(Cl)ccc1C(=O)[C@@]1(C)C=CCCC1	2003334918	PDQUVVIIPKSWBJ-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
CC1(C)CC[C@@H]1[C@H](N)C1(C)CCCCCCC1	2004923135	NRIHPOSJHGPBJN-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](O)[C@H]1CCCCC12CCC2	2005600854	OTBYDIWAZPGGRL-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](CC)C[C@@H](NCCC)C1	2006625473	XRDQZWWVZDPLCK-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCC1CC(CC2(O)CCC(C)(CC)CC2)C1	2007755928	DKOKTAJXAUGLGF-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](NC1CCCCCCCCC1)C(F)F	2009026861	UFRQDEUFOFMGLA-ZDUSSCGKSA-N	247.373	4.513	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)CC[C@H]1CC=C(C)C	2009408453	UIWVEOBKZRSFJK-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CCC2(C)CC2)CC1	2009545373	ZAJPNLVIZRBZEV-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
C/C=C/CCC[C@@H](O)C(C)(C)C1CCCCC1	2009590318	GJHTYNDIZHXXNB-MBVDDHJVSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@H]1CCCCCCCC[C@H]1O	2009593894	PGUQYMRZIXKBNP-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@]1(CC2(C(C)C)CCC2)CCCN1	2009774569	ZDQPAURDBKHLOF-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)C(C)(CC)CC)CC1	2010713549	DYHBXOSQEYIGST-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC[C@H]1C[C@H]1C)C(C)(CC)CC	2011581143	OYDNSDVZAVSYJD-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(NCCC[C@H]2C[C@H]2C)c1	2011582456	AYTKFNYDQWJQGI-HIFRSBDPSA-N	231.383	4.658	0	10	BJAE	
CCCC[C@H](CC)NCC12CCC(CC1)CC2	2012788516	NXPGVXUJKCLZRL-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2(C)CCCC2)c(F)c1	2014338653	JACFSFKZYHLHTN-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CC1CC(C)(C(=O)CCC(C(C)C)C(C)C)C1	2015393435	DAJOBFIKYYYNCY-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)CC(C(C)C)C(C)C	2015409393	QKDANAOHPOCUIU-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CCCC1CC(C(=O)CC2(CCC)CCC2)C1	2015596471	RKSHPQBSXVULKF-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H](CNc1ccc2sccc2c1)C(C)C	2016107907	ZXGFPEGLSVVJCK-LBPRGKRZSA-N	247.407	4.995	0	10	BJAE	
CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@H](C)[C@H](C)C1	2016148600	BBKSTPXSUQGLAS-JJXSEGSLSA-N	238.415	4.556	0	10	BJAE	
CC(C)C1(C[C@@](C)(O)CC2CCCC2)CCC1	2017116805	NMYRCYYUIWFHFX-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)CC1(C(C)(C)C)CCC1	2017125546	OOTRFTWRPPMXQY-UONOGXRCSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCCC[C@H]2N)CC1	2017729192	UFVNITQLMFHLLA-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](O)C2CCC(CC)CC2)CC1	2018970514	QHGUJXJTJMCNPE-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC[C@@H](C(C)C)C2)CC1	2019003134	WVXJBGVZADARRK-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCN(C)C[C@@H]1CCC[C@@H]1C	2019340556	PGLLWTYMCMOPDO-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
CCCN(CCCC(C)(C)C)C1CCCCC1	2020536409	XAEMKNPCZWAHLH-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC=C(CC)[C@H](O)C1CCC(C(C)(C)C)CC1	2020973508	GGRFFAVQMFCGDG-NRXISQOPSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C1CCC(C)(C)CC1	2022560515	PAJXOSHTKHCLJC-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@](N)(CC)CCCCC(C)(F)F	2023345138	BPWIRSHVHXGBOP-AWEZNQCLSA-N	249.389	4.890	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2024092216	PENIDCWKUJFAMO-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)C[C@H]1CC=CCC1	2027829251	AAYZNGXCEDWPLX-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCC1)c1ccccc1C1CCC1	2029070907	QUZRFWZSZRLEPG-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@H]1CC(C)(C)CC2(CC2)C1	2030286895	FHUMKRCUJBMABE-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@H]2CC[C@H](C)C2)c1C	2033401099	HOWOUFBDRLAFBB-BONVTDFDSA-N	244.378	4.539	0	10	BJAE	
CC1(C)C2CCC1(C(=O)CCCC1CCC1)CC2	2033438885	ZPOBDIXATXQGOX-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1	2033483688	MWUPQJSVFXIJON-LISQQWEMSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(CNCCCCCC(C)C)cc1C	2035315166	ROSDUOQSFRTMNF-UHFFFAOYSA-N	247.426	4.609	0	10	BJAE	
N[C@]1(C2=CCCCCC2)CCCC12CCCCC2	2037100903	LDJBWMZTRLDFSF-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC(C)NCC1([C@@H]2CCC3(CCCC3)C2)CCC1	2037704661	RXYQPKMKBXDRTC-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(N)(CC2CC3(CCC3)C2)CC1	2038090054	MZXGANFZGXHZGB-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C1CCC2(CC1)C[C@@H]2CNCCCC1CCCC1	2039057260	DHZNHPZJAURXFD-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCCC12CCC(CC1)C2	2039414021	XHDKTDHFMXRQSD-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@H]1CC=CCC1	2042015768	DAUNFAHDUBFWOP-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@]1(C)CC=CCC1	2042019049	LGNVBUJLGHWQSC-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@@]1(C)CC=CCC1	2042030991	PZXTWOZEJMPFFK-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(NC2[C@H]3CCC[C@H]2CC3)c1	2042047833	NVBGXFXCXAFOJV-KBPBESRZSA-N	243.394	4.801	0	10	BJAE	
C1=CCC[C@@H](C[C@@H]2Cc3ccccc3N2)CCC1	2045318044	RFWPLKYRSJLCCO-GDBMZVCRSA-N	241.378	4.550	0	10	BJAE	
CCc1ccc(N(C)[C@@H]2CCCC(C)(C)C2)cc1	2046569859	AGZMPWCDNAUWIN-MRXNPFEDSA-N	245.410	4.654	0	10	BJAE	
CN[C@H](C[C@H]1CC12CCCC2)C1(C)CCCCC1	2047020148	NRIFTHQLZZTWMD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@@H]2CC23CCCC3)C1	2049527447	BZUPADZOMADAQQ-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)CC1(C)CCCC1	2049790029	DQRAUNBACGMBGE-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCC1(CNC2C3CCCC2CCC3)CCCC1	2050044475	ZOUQCRYQBYMDPA-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@H](O)CCCC2CCCCC2)cc1	2050441882	QSYVWZVVFMQGGU-QGZVFWFLSA-N	246.394	4.779	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1N[C@H]1C=CCCC1(C)C	2055531955	KVTVZIAAPMHSEE-ILXRZTDVSA-N	249.442	4.536	0	10	BJAE	
CCN[C@@H](C1CC=CC1)C1(C)CCC(C)(C)CC1	2056551178	CLVUQJUFAYIFFN-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
NC1(CC2CC(C3CC3)C2)CCCCCCCC1	2056650434	GUTXSRGHKPNRLG-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCc1ccc(NC[C@H](F)C2CCCCC2)cc1	2058029914	KDWYNWKVZONROG-INIZCTEOSA-N	249.373	4.579	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)c1cccc(C)c1	2059250541	RHFLYLIOPFCILD-UKINESCASA-N	245.410	4.782	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@H]2CCCC[C@@H]2CC)CC1	2061116221	NVVINRJAODQEHI-YQFWSFKMSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](NCC[C@]23CCC[C@H]2C3)CC1	2061576085	ZVARZPLMPQBZKX-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
NC1(CC[C@@]23CCC[C@H]2C3)CCCCCCCC1	2061618688	WGZYIGYJJDRPRR-JKSUJKDBSA-N	249.442	4.789	0	10	BJAE	
O[C@H](CCC1CCCCC1)C1CC(=C2CCC2)C1	2061642501	YNXNPGATZITOOA-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@](CC)(CNC)CC1CC(=C2CC2)C1	2061741434	LOKHVZDFGQIORE-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC(C)C(=C[C@@H]1CCC2(CC2)C1)CNC(C)(C)C	2062809637	DESDOZJJPTZHOO-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C[C@@](N)(C[C@H]2CCC=CCCC2)C1	2063650606	VHSAQASPHCKXCB-DOTOQJQBSA-N	247.426	4.587	0	10	BJAE	
C(CCNCC12CCCC1CCC2)CCC1CC1	2063902343	BSTHCCJJWHGODH-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC[C@@](CNC1CC1)(C[C@@H]1C=CCCC1)C(C)C	2064501819	NNNWSBNXTDTFFZ-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(F)c1NCC12CCC(CC1)CC2	2065299682	DTNRNQSZQLMQCD-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
C[C@@H](NC1CC2(CCCCC2)C1)[C@H]1CCC1(C)C	2068347945	GZDKTBVUHMQDTB-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C[C@H](O)c2ccc(C)cc2C)CCC1	2069339694	MCOMBSGVUQMNLI-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CCCC1(C[C@@H](O)c2cc(C)cc(C)c2)CCC1	2069340006	PXSBPCFFHCKILV-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CC(C)c1cccc(NC2(C(C)(C)C)CCC2)n1	2071899673	PYRYYSUCEPTPPB-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
CCN[C@H](CC[C@@H]1C[C@@H]1C)CC1CCC=CCC1	2072072387	KQKBLMKSEBGQNX-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)c2occc2C)CC1	2072800534	FJRGRSHHMFRDGA-KKUMJFAQSA-N	249.398	4.584	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@]23CCCC[C@@H]2C3)C1	2074089109	AJIKWFFLKINILY-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@H]2[C@@H](CN)CCCC23CCC3)CC1	2074629507	POQSJTLRQMGQQL-CABCVRRESA-N	249.442	4.502	0	10	BJAE	
C1=C[C@@H](N2CCC23CCCCCC3)CCCCC1	2074794565	LDXHUYNBYRQVBF-MRXNPFEDSA-N	247.426	4.674	0	10	BJAE	
CC[C@@H](Nc1ccccc1C1CC1)[C@H]1CC1(C)C	2077261740	DEUBPBAFJUUGEJ-HUUCEWRRSA-N	243.394	4.801	0	10	BJAE	
c1ccc(C2CC2)c(NC2C[C@@H]3CCC[C@H]3C2)c1	2077263704	BRTURCHTARJCNH-KBPBESRZSA-N	241.378	4.555	0	10	BJAE	
CCCCc1ccc(C(=O)[C@H]2CC=CCC2)cc1	2077932211	XZNQCUAEPITMHU-HNNXBMFYSA-N	242.362	4.568	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@H]1C1CCC1)C1CCCCC1	2079326381	ZSGSDNVRLMZMKG-UHOFOFEASA-N	248.410	4.598	0	10	BJAE	
CCC[C@]1(C[C@H]2C[C@H]2C2CCCCC2)CCCN1	2079646081	VLYZSWRXUBRWAC-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1C[C@H]1COc1cc(C(C)C)ccc1C	2079811268	PARPUPZBJKVYIY-HOTGVXAUSA-N	246.394	4.933	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2C[C@@H]2C2CCCCCC2)C1=O	2079840767	DVVWUJPZTAXZBS-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@@H](C)C2CCC2)c1	2082954870	XFUKPRCTBBGLCI-CYBMUJFWSA-N	244.378	4.621	0	10	BJAE	
CCc1ccc2[nH]c([C@@]34CCCC[C@@H]3C4)cc2c1	2083313551	CQGLSKXXPPDBOK-RHSMWYFYSA-N	239.362	4.562	0	10	BJAE	
CCN[C@@H](C)CCCCCCCCC1CC1	2212442246	IHKDBFBCOZVLFU-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC(C)C[C@H](C)N(C)CCCCCCC1CC1	2213583472	SJKAMKSWSIUVJW-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CCCCC2CC2)C1	2214551815	IADNUVDUYBKDLY-SWLSCSKDSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CCC)CNC1CCC1	2217136420	IMZRWOQDSAEROP-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@]1(CN[C@@H](C)CC)CCCC1(C)C	2217155936	GWUREVSPDWVRME-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C1C[C@H]2CCC[C@H](C1)C2	2218331770	FOJLYQLRGHHMBO-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCCC1CC(N)(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218360243	ZZVSHLJGXPOQFE-ZVTHOSHGSA-N	249.442	4.501	0	10	BJAE	
CCCC(O)(CCC)c1ccc(CC(C)C)cc1	2218651242	SVSRHTQSRFIUOO-UHFFFAOYSA-N	248.410	4.673	0	10	BJAE	
C[C@H]1CCC[C@@H](NC2CCC(C3CC3)CC2)CC1	2218897001	PIDSBUGMARMOGQ-MHABSNSOSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@@H]1CC[C@@H]1C	2220526822	LKQYRXPZKKTQIC-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)[C@@H]2CC[C@H]2C)cc1	2220563264	UZIMBUPQZZSLHH-IUODEOHRSA-N	244.378	4.603	0	10	BJAE	
CC1=CC[C@](C)([C@@H](O)C[C@@H]2C=CCCCC2)CC1	2221635230	ISIUMCMKVFJVRF-IKGGRYGDSA-N	248.410	4.620	0	10	BJAE	
CC1=CC[C@@](CNC(C)(C)C)([C@H]2CC2(C)C)CC1	2221656257	XSVDTJVFUGGPIC-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CNC[C@]1(CC2CCC(C)CC2)CC=C(C)CC1	2221666085	PMMMKQMZVJBWIV-BDVYOWHSSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](c1c(C)cccc1C)C1(C)CCC1	2222009398	PUZUNOZQJSTVGH-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](Nc2cccc(F)c2)C1	2222254923	DKECGJCTWWONQD-TZMCWYRMSA-N	249.373	4.843	0	10	BJAE	
C[C@@](N)(C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCC1	2222983730	ZLWVMNSNXNIXLZ-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](NCC)[C@H](C)c1ccc(C)cc1	2223964557	VTPZQQNPJJVOIU-WBVHZDCISA-N	247.426	4.657	0	10	BJAE	
Cc1cc(O)c(C)c(-c2sc(C)c(C)c2C)c1	2246822356	FSAIHJZPLLFPHT-UHFFFAOYSA-N	246.375	4.663	0	10	BJAE	
CCCCCC[C@H](C)NCCCC[C@@H]1C[C@@H]1C	2247112427	ADPUAJVNMJAKTI-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@H]1CCC1(C)C	2247334785	YGROUCWWYZZSDP-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
FC(F)(F)c1ccccc1CC1=CCCCC1	2247507015	DMGIUFQPWHTHOI-UHFFFAOYSA-N	240.268	4.748	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC[C@H]1CCCC12CC2	2247618489	FOOVDMBATZVYCA-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@](CN)(CCCCC[C@H]1C[C@H]1C)C(C)C	2248846572	ULIPSSRLKKFDKI-OWCLPIDISA-N	239.447	4.604	0	10	BJAE	
Cc1cc(NC[C@@H](C)CC(C)C)cc(C)c1C	2249501371	QAFRFKPZVQMPEI-LBPRGKRZSA-N	233.399	4.706	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCC1CCCCC1)NC	2250366670	MSEXMZOHZLWYFY-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1ccc2sccc2c1	2250369714	WDPIZNIJKLJEPH-NHYWBVRUSA-N	248.391	4.761	0	10	BJAE	
CCC(C)(C)[C@@H](N)CC[C@@H](C)CCCC(C)C	2250479213	RFORYVNCZJCERH-GJZGRUSLSA-N	241.463	4.993	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)CC[C@@H](C)CCCC(C)C	2250486314	QZHHGBPTGNBVCT-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
Cc1sccc1C(=O)C[C@@]12CCCC[C@H]1CC2	2251154260	OJSHWHYJAIMHFE-WFASDCNBSA-N	248.391	4.600	0	10	BJAE	
CC1CC(CC(=O)CC[C@@H]2CCCCC23CC3)C1	2253860688	ZNLFJFHAGOSFDT-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
C[C@]1(CC[C@H]2CCCCC23CC3)CCCCCN1	2253883016	FIJOXEJKFBLRGA-HZPDHXFCSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1C[C@H]1C)[C@@]1(C)C=CCC1	2254527517	FQNFOFGMHADUEL-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@H]1CCC[C@](N)(CC2=CCCCC2)C1	2255091247	IGESRJOWLXYOQI-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@@H]1CCCC12CC2	2255231283	AXUQILJFMSEKLA-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CCCc1ccc([C@@H](O)C[C@@H](C)CC(C)C)cc1	2256316500	CMVTXPWQGWUCOM-YOEHRIQHSA-N	248.410	4.745	0	10	BJAE	
CCc1ccc(N[C@@H](C)[C@@H]2CC23CCC3)cc1C	2256451467	KNVMREQFAFILLN-BBRMVZONSA-N	243.394	4.548	0	10	BJAE	
CC(C)(C)C1(CN[C@@]23CCCC[C@H]2CC3)CCC1	2260544342	RTSMDDLEFNZWRX-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NC[C@@]12CCCC[C@H]1CC2)C1CCC1	2260625955	SSENWRBVPMXLLF-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@@]23CCC[C@H]2CC3)CC1	2260648013	QPJUIEQJVRDDMN-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)C[C@@]12CCCC[C@H]1CC2	2260675008	XBIYIHAQAOBZIJ-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(CC)NCc1cccc(C(C)(C)C)c1	2261408763	LSDBUHKTKWAALW-UHFFFAOYSA-N	247.426	4.652	0	10	BJAE	
CC(=O)c1cccc(S[C@@H](C)CC2CCC2)c1	2298892628	IUATWKFBMFFDIB-NSHDSACASA-N	248.391	4.560	0	10	BJAE	
CC[C@@](C)(C(F)F)[C@@H](N)CCCCCC(C)C	2299836112	SPTRDNNQUFSGFY-GXTWGEPZSA-N	249.389	4.602	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCCCC1(C)C	2300684023	PSGZIVMLFNBKKP-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC=C(C)CC)CCC1(C)C	2300895865	BSLSRIWXTTTXJC-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CC=C(C)CCCC(C)C)CC1CC1	2300936542	GDJUWPCYYOBUFX-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCc1cc([C@H](N)CCC2=CCCCC2)cs1	2301900609	UNOOCTOQZLUZKC-OAHLLOKOSA-N	249.423	4.591	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)CCC2=CCCCC2)C1	2301927059	WHLCTNNXAMSFKB-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CC(C)CCCC(=O)CC[C@H]1CC[C@H]1C1CC1	2303145844	BORWCGVEKCMJHL-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@]1(CN)CCC(C)=C(C)C1	2303474877	IAGLZLQJNFJAOM-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
CC1(C)CC(c2nc(C3CC4(CC4)C3)cs2)C1	2304403793	UNBNZPWSORCVJH-UHFFFAOYSA-N	247.407	4.704	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@H]1CCCC(F)(F)C1	2307751450	GXXRZVVSOGHLNC-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CC1CCC(N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)CC1	2308400304	LDANCKQLINLHMA-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CC=C(C)C)[C@@H]1C[C@H]1C1CCCCCC1	2311535700	LGYVEGZGAJSSBB-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C)c1cccc([C@@H]2C[C@H]2C(C)C)c1	2311853281	UPWDSCFDYFGLHY-JQFCIGGWSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C[C@@]23CCC[C@@H]2C3)C1	2311892210	DCCINBHDNRQSER-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CC1)C1(CNC2CC2)CCCCCC1	2313585424	XHTMXVWEPYBXAQ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC1(F)CCCC1	2315873237	SLZPOAQAEBAFOY-UHFFFAOYSA-N	249.373	4.813	0	10	BJAE	
CC(=CC=C1CNCC(C)(C)C1)CCCC(C)C	2316563862	IPWGEUYVBUXOIP-UHFFFAOYSA-N	249.442	4.705	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@]12CCC[C@H]1C2	2317934714	UZHPUFPYLOZJDW-LRDDRELGSA-N	247.357	4.551	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CC[C@@H]2CCC[C@@H]21	2318588829	KHRAVQHIQLKHQH-YESZJQIVSA-N	248.410	4.598	0	10	BJAE	
C1=C(CCCN2CCCC23CCCC3)CCCC1	2318591812	CBEXTMURYOLQLX-UHFFFAOYSA-N	247.426	4.676	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)C1(CC2CC2)CC1	2318598064	PMMKEOSURGDGET-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCC1CC1)CC[C@@H]1CCCC12CC2	2318876108	NMSHLZGNHRYZJU-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)[C@@H]1CCC2(CCCC2)C1	2318936228	NBWXPGGZBBZCGN-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)[C@H]2CC23CCCCC3)C1	2319112944	JMJYDVSGUQOJQX-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C[C@@H](N)CC3(CCC3)C2)C1	2319125907	IVPCFPADEWBAJL-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)C1CC(=C2CC2)C1	2320314485	YHXKIWFLSSRLFS-IUODEOHRSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@H]2CCC[C@H](C)C2)CC1	2320341683	WTLJXFNTJFCTTN-NKKGCODLSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C(=O)CC[C@@H]2CCC(C)(C)C2)c(C)o1	2321623234	WLVQGIHFJLHGGV-CYBMUJFWSA-N	248.366	4.686	0	10	BJAE	
CCC[C@@H](CC)CC1(N)CC2(C1)CC1(CCC1)C2	2328185833	NKLKDXGMCXQROY-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CCCCc1ccc(N[C@@H](C)c2ccco2)cc1	20564154	FRHRAGULEQSXBE-ZDUSSCGKSA-N	243.350	4.795	0	10	BJAE	
CCC[C@H](Nc1cccc(C)c1)c1ccccc1	21800268	KUYWGUAPJFBQLV-KRWDZBQOSA-N	239.362	4.948	0	10	BJAE	
CCC[C@H](C)Nc1ccc(SC(F)F)cc1	36919523	HVGGXRMMLSNXQA-VIFPVBQESA-N	245.338	4.602	0	10	BJAE	
CCCCCC[C@H](C)O[C@@H](C)c1ccc(N)cc1	40909151	VGMJLZGYUPIULN-KBPBESRZSA-N	249.398	4.705	0	10	BJAE	
c1cc([C@H]2CCCO2)ccc1C1CCCCC1	49821839	VCZZKCMEAJAVBV-MRXNPFEDSA-N	230.351	4.586	0	10	BJAE	
CCC(C)(C)C(=O)c1cc(C)c(Cl)cc1C	70023484	QQPIEIDBYGACMZ-UHFFFAOYSA-N	238.758	4.576	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCCCC1=O	71083853	PBZOXUXDIHOCGH-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1ccc(Cl)cc1	71085888	IHNVZPHFZJCCNK-FZMZJTMJSA-N	240.774	4.590	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(CCC)CNC	71127680	CSZJJAVMBGMRFL-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCC[C@H](C)[C@@H]1C	85097349	JHXYYRWYJZNLOU-DZKIICNBSA-N	245.410	4.876	0	10	BJAE	
C[C@H]1C[C@@H](Oc2ccccc2Cl)CC[C@H]1C	85149862	VMPLLTNULAVZKW-WOPDTQHZSA-N	238.758	4.544	0	10	BJAE	
CCCCCC[C@H](CCCC)NCCC	86315485	GNZUMLBPLIMGST-AWEZNQCLSA-N	213.409	4.515	0	10	BJAE	
c1ccc2c(c1)C[C@@H](c1ccc3ccccc3c1)N2	86666160	XCWORQGWTXSNSQ-SFHVURJKSA-N	245.325	4.549	0	10	BJAE	
CCC[C@H]1CCC[C@H](NC2CCCCC2)CC1	86921985	ISIAKUDOBWVKDP-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
CCc1ccc(C(=O)C2CCC(C)(C)CC2)cc1	87940709	ZRKHRZQDFILEPX-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC2(C)C)cc1C	94274047	QSDYURSJCWLDNR-HNNXBMFYSA-N	231.383	4.684	0	10	BJAE	
CCCCCC[C@H](N)c1ccc(C(C)(C)C)cc1	97467986	PKJSYZXRKVVHCB-INIZCTEOSA-N	247.426	4.954	0	10	BJAE	
Cc1cc(-c2ccc(C(C)(C)C)cc2)c(N)s1	105554791	FQGHSXYAGGPJSG-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
CCC[C@H](C)CC(=O)c1cccc2ccccc12	109711044	JHNROIDTDORBJS-ZDUSSCGKSA-N	240.346	4.849	0	10	BJAE	
CCCN[C@H](CCC(C)C)C1CCC(C)CC1	109737985	ULENTLQGASUGND-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
C[C@H](Nc1ccc2ccccc2c1)C(C)(C)C	122917734	YJQSKSFBHBVGLJ-LBPRGKRZSA-N	227.351	4.686	0	10	BJAE	
CCCCCC[C@H](O)c1c(C)oc2ccccc12	135412755	NDSAJAVRGICIMC-AWEZNQCLSA-N	246.350	4.745	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@@H](C)C1)C1CCCCCC1	149781552	AQIRXCMTEGZJAG-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)c1c(C)ccc2ccccc12	160835688	ZUWPYMCVZZHEQL-CXAGYDPISA-N	241.378	4.584	0	10	BJAE	
CC(C)NC[C@H](C1=CCCCC1)C1CCCCC1	161456295	KIXKGDGIVABAJF-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(CNC(C)(C)C)C1CC1	164236567	JVFJHZKXAKGVHK-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC(C)C)NCCC	168022825	XEFRNKKUZSMLMC-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](O)C1CCC(CCCC)CC1	168414857	RJMBDLOBHUSWQM-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](NCC)c1ccccc1C1CCC1	169207528	GZIQKMHRFPTVIG-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)C(C)(C)CC	203415164	AGANLQPRJQVCNC-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
Clc1nccc2c(-c3ccsc3)cccc12	215506227	XBLBXSDGMSVICR-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CCC[C@H](C)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1	226550022	UPPPNYHLTYLVSQ-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CSc1ccccc1N[C@@H]1CC[C@@H](C)[C@H](C)C1	251530135	AHFMYRRJVRROME-JHJVBQTASA-N	249.423	4.645	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCC[C@@H](C)[C@H]1C	253620097	KSUCEWVVXRBTJW-CQJMVSDSSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)c1ccsc1C	300908028	RMYUAZWNKXNCNM-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCC1CCC([C@@H](N)CCCC(C)(C)C)CC1	302295158	LXJQFLCOEOJWIX-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1ccc(C[C@@H](N)CCC(C)(C)C)cc1	305959704	WNHGXWXKIGMUDC-INIZCTEOSA-N	247.426	4.506	0	10	BJAE	
CCOc1c(Cl)ccc2scc(Cl)c12	306532206	BJTHLJJSJDQWKU-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)c1ccccc1C(C)C	308055556	BCODZXIKWKQNHP-YOEHRIQHSA-N	247.426	4.882	0	10	BJAE	
C[C@@H]1CC[C@H](NCC(C)(C)C2=CCCC2)C[C@H]1C	308751737	ANRAYXCSAMYRNB-FMKPAKJESA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1C[C@@H](C)c2ccccc21	311028693	DOVNRBFGHLGZQJ-JKIFEVAISA-N	245.410	4.649	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(O)CCC[C@@H](C(C)C)CC1	319062273	XDXOMCDDBQBSFK-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H]1CCCC12CCCC2	328262203	LPXOZMCEBNINGJ-CABCVRRESA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CC[C@H](CC)CC1	328430312	DWZYOEMYPACSJQ-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)NC[C@H]1C[C@@]12CCCCC21CCCC1	381036367	UPGAVVKIBKXIDV-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCC1(C)C	383241484	VGSJUJAUHOMSPR-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCC2=CCCCC2)c1	385909856	QTIMAWDVMBNAGJ-QGZVFWFLSA-N	243.394	4.584	0	10	BJAE	
Cc1cc([C@H](N)C[C@@H](C)C2CCCCC2)c(C)o1	386197826	KUYDKGJEPAGJKB-BDJLRTHQSA-N	249.398	4.503	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C)c(C)c1	388591488	LTCHLIDITSOEGU-ZMSDIMECSA-N	245.410	4.533	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCCC12CCC2	394777006	ORRDAVLPMMDJHX-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CCN[C@@H](CCC1CCC1)c1cccc(C)c1C	398796855	MQFPBLJXCBGWKS-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](CCC(C)(C)C1CC1)NCCC	405803284	KOHSOLDQRHILIA-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc2c(Cl)cc(Cl)nc2cc1Cl	606291728	VSVAKQQNWUBQAA-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)C1(CC)CC1	688911998	FCRMEHOOLCFCTR-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@]1(O)CCC(C)(C)C	691127060	LLJAFBJODDQJPX-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)[C@@H]1CCCCC1(C)C	692104552	FXCYVXNMGBKVJQ-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cccc(CC(C)C)c1	696550300	LDXYLZPJWBXTMB-INIZCTEOSA-N	248.410	4.745	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)CC(C)(C)C	696644317	IJTKOLJFZDURCK-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@@H]1CCCC2(CC2)C1	696647069	RIQOASDVAPJQAL-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCNc1ccc(Cl)cc1F	696755793	DPVRPSXVAFYAPJ-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C1(C(C)C)CC1	697589767	VXIYERHKZBMHSS-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCCC[C@H]1C(C)(C)C	701046271	BXGYBZPRCNQZLE-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@H]1C)C(C)(CC)CC	701148490	PFTOOFJWDCEFHJ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@]2(N)C(C)(C)[C@H]3CC[C@@]2(C)C3)CCCC1	704467392	XYUQUZRNVWHFMO-RRQGHBQHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@H](C)CC(C)(C)C	704739429	WBUABOSWPIIBAR-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)Oc1cccc2sccc12	705011532	VBIQWBUNNOAVIQ-QWRGUYRKSA-N	234.364	4.715	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCC[C@@H]1CC=CCC1	706959504	KELVBGJYVKJRFM-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C23CCC(CC2)CC3)C1	710264826	ZTCRADHIIPWWMS-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)(C)C)C1(C)CCCC1	710833517	ZHRQSUHRXOALRP-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H]3CCCC[C@H]32)cc1Cl	712393093	WHTRYAGEDQZCHH-UXIGCNINSA-N	249.785	4.639	0	10	BJAE	
Cc1cccc(N[C@@H]2CC(C)(C)CC[C@H]2C)c1C	713058444	IXTZYBQNDZJCNO-CZUORRHYSA-N	245.410	4.930	0	10	BJAE	
CC(C)CC[C@](O)(CC(C)(C)C(C)C)C1CC1	713145451	IVFPXYGDFJQREZ-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CCNC[C@@H](CC(C)(C)CC)C1CCCCC1	713162523	ZHEDAIDEIWOIMP-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)NCC1(CC(C)(C)C(C)C)CCCC1	713213827	UDVFDDPVZWPNPM-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1OCC(C)(C)C(C)C	713256026	NFHPPWYTNNOPKD-UHFFFAOYSA-N	234.383	4.700	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1ccc(OC)cc1	714522610	SNKAYKADPNLOKC-KTRBRXNASA-N	218.340	4.545	0	10	BJAE	
CC[C@H](C)C1(CNC(C)(C)C)CCC=CCC1	718110392	ROOUBKFAAKPJRO-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCn1ccc2ccc(C)cc21	718555899	CMRYDHTWNCNDJY-UHFFFAOYSA-N	227.351	4.696	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)CCC(C)=C(C)C	718650366	HFOGHYFLFCMMSY-ZFWWWQNUSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CCCCc1cccs1	718745448	AUMWAXIMQYONQU-UHFFFAOYSA-N	208.370	4.817	0	10	BJAE	
CCC[C@H](C)[C@@](N)(CC)CC1CCCCC1	720360445	UBYGJFUGHMIGCI-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccc(C3CC3)cc2)[C@@H]1C	821905858	IUKJFYALXREMLT-XNJGSVPQSA-N	243.394	4.801	0	10	BJAE	
CC(C)c1cc(C(C)(C)C)ccc1Cl	822255622	OYKVPGRZYLCEIR-UHFFFAOYSA-N	210.748	4.761	0	10	BJAE	
C1CCCC(CNC2CCC3(CCC3)CC2)CC1	1560473614	NLQDBRMQWOGGQC-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)[C@@H](C)S[C@@H](C)c1cccc(F)c1	1643739025	BEFMCSYLFFGVGY-MNOVXSKESA-N	226.360	4.664	0	10	BJAE	
CC1(C)CCC(NC[C@@H]2CCC=CCCC2)CC1	1658736723	FNOVQJROGJJWHB-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
S=c1cc(C2CCCC2)[nH]c2ccccc12	1903140355	QHFJSVJJFIOVLI-UHFFFAOYSA-N	229.348	4.555	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CC)CCCCCN1	1905361771	JGJOWJPTZSQMBS-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CCC=C[C@H](C)Cc1ccc(CCC)cc1	1912090399	GXZRNGUNBATWSC-AWEZNQCLSA-N	216.368	4.784	0	10	BJAE	
CC1(C)C[C@@H]1CCN[C@@H]1CCC2(CCCCC2)C1	1915884248	QKNFOSNDIJXUCA-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCC3(CCCC3)C2)CC1	1916435859	GJCDPNHHWRAERH-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CC[C@](N)(CCC1CCCC1)c1ccc(C)cc1	1919459941	WXOJYLSWPBTEOR-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CC(C)[C@](O)(CCCC(C)(C)C)c1ccccc1	1919936283	YTIKDZQTOYLZLL-QGZVFWFLSA-N	248.410	4.747	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@@H](C)CC(C)C	1919961700	SBGIZHHYIXTEEI-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
C(CCNC[C@@H]1CCCC12CCC2)CCC1CC1	1921583189	KVCZRLHZRYQNCI-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC(C)C(C)(C)C[C@](C)(CN)C1CCCCC1	1924128155	UMNGYBMPEOGUJT-MRXNPFEDSA-N	239.447	4.604	0	10	BJAE	
CCC(CC)CCN[C@H]1CCC[C@H](C(C)C)C1	1926159554	MFZJCWUSIWJSPB-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
C1=C(C[C@H]2CCC3(CCCC3)C2)CCC1	1934208214	AEQDXHRACNTBDE-CQSZACIVSA-N	204.357	4.847	0	10	BJAE	
Cc1cc(C)cc(O[C@H](C)CCC(C)C)c1	1937173381	HLKLYBAXCZIYID-CQSZACIVSA-N	220.356	4.507	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1CCC[C@@H](C)CC1	1939898859	LPJXJEMRXXKCIV-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)NCC(C)(C)C1CCCCC1	1940764249	XYYSNGQTVKUKLN-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1ccccc1C(C)C	1941252189	OQVBGGVCINCNQT-CJNGLKHVSA-N	234.383	4.526	0	10	BJAE	
CCCN[C@@H]([C@@H](CC)C(C)C)[C@H](C)[C@@H](C)CC	1941266751	JGSPYAAJGJNHHC-XUWVNRHRSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](C(=O)CC(C)(C)CC(F)F)C(C)C	1941269512	RQDRMARLNYPSRT-LLVKDONJSA-N	248.357	4.699	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)CC1CCC=CCC1	1941817256	XDJMPBSMJSTONR-ZFWWWQNUSA-N	238.415	4.556	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(N)CCC12CCCCC2	1942657139	FFDQQNUVOPYFNO-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)CC1CCC2(CC1)C[C@@H]2N	1942917185	QFBQXBYFXIBIDQ-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](C)NC1CCC2(CCC2)CC1	1944599279	AAGYYNGMMDALNS-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)C(C)(C)C(C)C	1944667456	CUYWHAJRPAKXAV-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@@H]1CCC[C@@H]1C	1944835665	DORBBOOKNFEQAI-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CC1(CCCNC(C)(C)C2CCCCC2)CC1	1945383308	UKHDPBPJNWIMHO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCc1cscc1[C@@H](N)CCC1=CCCCC1	1948009114	PAQLDYCCRCHRKX-HNNXBMFYSA-N	249.423	4.591	0	10	BJAE	
CCC(C)(CC)[C@]1(N)C[C@@H](C)CC[C@@H]1C(C)C	1949088513	WSVRJGSKTCANGR-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CC1(C[C@@H]2CCC(C)(C)[C@H](N)C2)CCCCC1	1949658414	AZTVNTGZTQKBSK-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](CO)(CCCC(C)(C)C)CC1	1950909013	SIXMFNGKVBJKRJ-ZBFHGGJFSA-N	240.431	4.782	0	10	BJAE	
CCC=CC[C@H](CC)c1c(C)cc(O)cc1C	1951308549	IQOTWKUDUDJBKB-AWEZNQCLSA-N	232.367	4.859	0	10	BJAE	
CC(C)=CCCc1c(Cl)cccc1Cl	1956822831	ZNSUSVXDPFBABL-UHFFFAOYSA-N	229.150	4.892	0	10	BJAE	
CC1(c2ccc(NC3CCCCCC3)cc2)CC1	1967848503	RRICRDGFRCVOIC-UHFFFAOYSA-N	243.394	4.873	0	10	BJAE	
Cc1ccc(C)c(OC[C@@H]2[C@H]3CCCCC[C@H]32)c1	1968306903	ABAVVRYYGWOCSE-ZSHCYNCHSA-N	244.378	4.509	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1F)C1CCCCC1	1968326826	NZZMGMYCJVAIGM-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CC[C@@H](C)CCNC1CCCCCCCC1	1980335398	ZOZCTUQBMXLBTJ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@@H](N)C1(C)CCCCCCC1	1981416954	VLVSDXPMAOEUQZ-CQSZACIVSA-N	225.420	4.645	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cccc(Cl)c1	1986948757	RHFXMFIFQHPYAF-CYBMUJFWSA-N	239.790	4.967	0	10	BJAE	
CCSc1cccc(NCC(C)=C(C)C)c1	1989621604	FPTSPIOMDUHESL-UHFFFAOYSA-N	235.396	4.567	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)C1CCCCC1	1995252933	AYWJQARCGLVJFW-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](C)Cc1coc2c(C)c(C)ccc12	1995462974	DNABMKWPMSEWRB-SNVBAGLBSA-N	216.324	4.638	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@](C)(O)C1CCC(C)(C)CC1	1996553622	QFYHZUNASCSGHZ-HEHGZKQESA-N	240.431	4.636	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@@H](C)C1CCCCC1	1996602744	KOPPBULTOGYDDV-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@@H]1CC=CCC1	1997546874	RBMMDJIZIOHBLK-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C(=O)[C@@]2(C)CC=CCC2)c(Cl)c1	1997610564	GWDOJDVCJOHTOD-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
CCC[C@H](CCC[C@@H]1CCC=CCCC1)NC	1999993205	KMTMMMQWBYTWKU-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCC1([C@H](CCC=C(C)C)NCC)CCC1	2000375616	DUBYECVVNMEDJK-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H]([C@H]1CC1(C)C)C(CC)(CC)CC	2000388884	YDWFYAARQUAPRT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)CC1(C)CCC1	2000505366	QFUOSCGBSDMFRP-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CCCN(CC(C)(C)C(C)C)CC1	2000905432	BUQGUSVRWGQDBT-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1(C2CCC2)CC1	2004531009	QHQFBXAKSQGRBI-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCCCCCNCC1(C)CCC2(CC1)CC2	2007682103	VDBZDUBRYZRHOU-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC=CCCCC(=O)[C@]12CCCC[C@H]1CCC2	2009572364	MEQATSJVXMPKNN-HOCLYGCPSA-N	234.383	4.662	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1CC[C@H](C)C1	2009594025	DITRGGHWZDHHJL-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCNc1ccccc1SC(C)C	2009599492	ZVUPJFDXGNPKCT-SNAWJCMRSA-N	249.423	4.955	0	10	BJAE	
C/C=C/CCC[C@](CC)(CCCC)CNCC	2009625482	BARKHRYEQGQXSE-RDTXFTJFSA-N	239.447	4.929	0	10	BJAE	
CCCCC1CC(N[C@H]2CCCCC[C@@H]2C)C1	2009711826	DRFPRTSHUFJFPT-LBDPXKHJSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)C[C@@H](O)C1=CC[C@@H](C(C)(C)C)CC1	2010723763	WGBNTUYSUWQAFV-ZIAGYGMSSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCC[C@H]1C[C@@H]1C	2011561117	JJONFHXBVOAORX-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCC[C@H]2C[C@H]2C)CC1	2011578081	ZUXIDXLZYJSGFB-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CCC(C)C)C1C[C@H](C)C[C@@H](C)C1	2013270084	FKRCWXSQLQFWCO-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CCC)CCC1(CCC)CCC1	2015646873	BOHHJRCQNOEYEV-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CCC1CCCCC1	2016114491	HOHMGYQBNYBANJ-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2016150249	RLZDOCWUNCTBDM-FXUDXRNXSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@H](CC1(C(C)(C)C)CCC1)NCC	2017138482	KGXSKHQBQRNBDC-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC)CC1(C(C)(C)C)CCC1	2017139518	WFJOZRXNKQYKAR-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(O)CCC(C)CC2)CC1	2017652658	JODOHDFGAFFPEH-DICYVTDZSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(CC[C@@H](O)C2CCCC2)CC1	2017713682	BBASRMSSJXRYJF-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCCC1(NC[C@H]2CC[C@H](CCC)CC2)CC1	2017721094	JJQTYXJLUSOSQR-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C)C[C@H](C)CC1CCC(CC)CC1	2017734382	BPQHWBCSUSWRJH-QRNKSROTSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CC[C@H](CC)CC1	2017776864	VQBHEPNJZAHCSY-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@@](C)(NCC2(C)CCCCC2)C1	2017906799	ZYDGYMSXOQIHMD-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(C)cc1F	2018139270	PUUILIPJUBJYCL-CYBMUJFWSA-N	237.362	4.905	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@]12CCCC[C@@H]1C2	2018618735	HNDYOLKSAPBUNB-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CC=C(CC)[C@H](NC)C1(C)CCC(C)(C)CC1	2020973871	KCVVMIQKNRYYNF-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1C[C@H]1C1CCC1	2022319649	BJIKERMNMBEPMA-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1C[C@H]1C1CCC1	2022382723	GYIXHDDEVGJYEL-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](O)CC[C@H]1C[C@H]1C1CCCCCC1	2022527955	DLOFYASHPRMZOL-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@](C)(CC)CCCCC(C)(F)F	2023287334	HKDUGXPLJCHRNU-ZDUSSCGKSA-N	249.389	4.618	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](N)CCCCC(C)(F)F	2023295345	NNKDCTGAYWMNNN-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H]1CC(C)(C)CCC1=O	2024124767	OSAFFJVAVALDCL-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@@]2(N)CC[C@H]3C[C@H]2C3(C)C)CCCCC1	2027310219	YNWXZKLEYQMKEO-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@](C)(F)c2cccc(N)c2)CC1	2027938210	COSZELGVMRGWHL-ZUEPYMLJSA-N	249.373	4.670	0	10	BJAE	
CCCCC1CCC(N)(CC2[C@@H]3CCC[C@@H]23)CC1	2032822381	JTGYXPVJGFRTHX-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C1[C@@H]2CCCC[C@@H]12	2033525005	RXHSLOIHGTXBAG-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CCC2CCCCC2)CC[C@H]2CCCC[C@@H]21	2034255679	DXYTUEXBFMIJAY-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC1CCC(C[C@]2(N)CC[C@H]3CCCC[C@H]32)CC1	2034256734	JMLBTQKDIVHTIT-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@@H]1CCC(C)(C)C1	2035575185	FINIMRBEYRFHNU-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@H]2CC23CCCC3)CC1	2036135399	VLJPEDQLJMGVLS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC([C@H](N)c2cccc(C(C)C)c2)C1	2036489324	PTGIKGBUUHJSPZ-AQFXKWCLSA-N	245.410	4.636	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CNC2(CCCCC2)C1	2037722837	ASPKDTYGOMTJRL-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CC=CCC1)CC1CCCC1	2038107795	LWGXAUYGEGPHTG-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@H]2CC23CCCCC3)CC1	2039057608	GPKGGUTVHRCUJF-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)[C@H]1CC12CCCCC2	2039079852	VMXNGLUEZJXZHF-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](O)Cc1ccccc1C(C)C	2040720322	ZFAOCNXEVFRELH-INIZCTEOSA-N	248.410	4.540	0	10	BJAE	
C[C@H](C(=O)c1ccc(CC2CC2)cc1)C(C)(C)C	2040731987	BKFHZWRVBPKHIT-GFCCVEGCSA-N	244.378	4.504	0	10	BJAE	
O[C@@]1(C[C@H]2C=CCCCC2)CCCC2(CCC2)C1	2041290631	RYIGYKQWTWWGMM-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC1CCC1)c1cccc(C(C)C)c1	2042743208	SNIAXAPJGDQOHA-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC[C@@H]1CC(C)C	2043688243	YUCIFBSHQRKOKL-CVEARBPZSA-N	245.410	4.794	0	10	BJAE	
CC1(C)C([C@@H](N)C[C@@H]2CCC=CCCC2)C1(C)C	2045317013	IPGMIDHRVBHXFS-KGLIPLIRSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC(C2CC2)C2CC2)C1	2045449956	MHVPSGHQMPWTEQ-CQSZACIVSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C(=O)[C@H]2CCCC(C)(C)C2)c1F	2045451380	UREJIIMNXPFAQU-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1CC[C@H](N(C)C2CC3(CCCCCC3)C2)C1	2046330336	VODJEZBSUCTYCB-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CCCC1([C@@H](C[C@H]2CC23CCCC3)NC)CCC1	2047007849	KUJCBERSENQWSW-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NC[C@@]1(CC2CCC2)CCC12CCC2	2047946290	GRKUTDOQNNUUDH-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1CC1)[C@H]1CCC2(CCCCC2)C1	2048127040	GZFVHITVNAAFIP-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@H](N)CC2[C@H]3CCCCC[C@H]23)CCC1	2048435849	GCKZXSVKMCRHAS-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)CC1CCC2(CC1)CC2	2049934338	WKPLPPWJAIZRMB-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC[C@]2(C)C=CCC2)CC1	2049980291	XOKMIUHSDKPOSQ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@@H]2CCCCC23CC3)CC1	2053309210	NYVBKVVBLPPVSC-BZUAXINKSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC=C1C)c1ccc(C)cc1	2055667924	ABNYTUJOZSQETL-IAGOWNOFSA-N	243.394	4.535	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccc(CCF)cc1	2055669882	PYDYDYABUOJQGR-HOCLYGCPSA-N	249.373	4.579	0	10	BJAE	
CCN[C@@H](CC=C1CCCC1)CC1CCCCC1	2056875710	JNXUHDVFGHCPPP-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)CCC1CCCC1	2056878334	JLPLJFVGDGXSIL-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CCC[C@H]3C[C@H]23)CC1	2057356156	BBXUPZQDQXUCPH-XJCPWDRGSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@@]1(N)CCCC2(CCCCC2)C1	2059202703	BQSSSNDJOADTAD-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC=CCCCNc1cccc(O[C@H](C)CC)c1	2059221341	MCTSVMBKWYHKHA-CQSZACIVSA-N	247.382	4.632	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC)CCCCC12CCC2	2059258801	JRQOFDOTUREEGM-IDOMTICXSA-N	249.442	4.683	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1CC(C2CC2)C1	2059268101	VNELHJOBCVBTRP-LHMSZOIRSA-N	249.442	4.537	0	10	BJAE	
CSc1cccc2cc(-c3ccccc3)[nH]c12	2059979557	LBLIWRSJVYSMKX-UHFFFAOYSA-N	239.343	4.557	0	10	BJAE	
C[C@@H]1CC=C([C@]2(N)CCCCC23CCCC3)CC1	2060912747	GXFGDSQPGUMZNF-RHSMWYFYSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC=C([C@H](N)C2CCC(C)(C)CC2)CC1	2061089428	SVUDPMLAFLFCAA-HNNXBMFYSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCC1CCC1)C1=CCC(C)(C)CC1	2061094733	ILXWDWZATAEVKD-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC([C@@H](N)C2=CCC(C)(C)CC2)C[C@H](C)C1	2061095119	KZCVVIBCJIQERH-IOASZLSFSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCNC1CC2(CCCCCC2)C1	2062598216	QBLQTFJXGFXDMC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@H](Nc1cccc(C2CC2)c1)C1CC2(CC2)C1	2064488408	IBUBJKDSJFIFIO-LBPRGKRZSA-N	241.378	4.555	0	10	BJAE	
CC[C@@](N)(CCC(C)C)c1ccc(C2CC2)cc1	2065992370	HVPSLHSVTHKXMQ-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
C[C@@H](NC1CC2(CCCCC2)C1)[C@@H]1CCC1(C)C	2068347944	GZDKTBVUHMQDTB-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1cccc(C(C)(C)C)c1	2068986998	NUMAKEMQDIZAJI-ZDUSSCGKSA-N	246.394	4.849	0	10	BJAE	
CC1(CN[C@H]2CC[C@H]3C[C@@H]2C3)CCCCCCC1	2069354092	QWDMXWALHHCJRN-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
O[C@H](C1=CCCCCCC1)C1(CC2CC2)CCC1	2069511976	WZTFWWPDGUYFHI-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)C1(CC2CCC2)CC1	2069585303	PIQGYJUSEISSGB-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@@H]2CCCC3(CC3)C2)CCC1	2071950870	QTQARSMQKVIASL-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)c2ccccc2C)CC1	2072662696	KDVAKNANLVYALX-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(N)CCC=CCC2)CC1	2072807557	XMHSSIVKRSNVBT-WKILWMFISA-N	249.442	4.811	0	10	BJAE	
CCCC1CCC(C=C2CCNC[C@H]2CC)CC1	2072820374	WSNJTYFEZSQGQI-UYSNPLJNSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@]1(C[C@@]23CCCC[C@@H]2C3)CCCCCN1	2074029742	PGZJBGQPROLLQL-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N2CCC[C@H]3CCCC[C@@H]32)CC1	2074860338	SCLCLMATYCAAFP-MYBQVCMBSA-N	249.442	4.610	0	10	BJAE	
CCCN[C@H](CC=C(C)C)c1c(C)cccc1F	2076038280	AODNSGSXTWHXCA-OAHLLOKOSA-N	249.373	4.531	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CCC[C@@H]3C[C@H]32)c1	2077263766	CYNHIHTTWSQGDX-FRFSOERESA-N	241.378	4.555	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1C[C@H]1C1CCC1	2079351194	XOSAGRNUOKBLSN-GGACTWEQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CCC)[C@]1(C)C=CCC1	2079645154	PKZIJODBOKZGEE-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]1C1CCCCC1)C1CCCCC1	2079842079	MJXCKVFBKZRNSD-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
CCCNC[C@@]1(CC=C2CCC2)CCC[C@H](C)C1	2081676602	WHJGQCFUNUDZRG-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CC=C(CC)[C@@H](NCC)c1cc(C)cc(C)c1C	2082919080	NQTFAQNFYKMIBS-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
CCC[C@H](CCC(C)(C)C)CN[C@H](C)CC	2212597680	PHQXKOVBKKGKST-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)N(CC)CCCCCCC1CC1	2213582167	FJDAECSBESWWRT-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCC1(CC)CC(N)(CC2(C)CC(C)(C)C2)C1	2215395565	LIPYRFBPVOBGDB-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@H](CN[C@H](C)CC)C1CCCC1	2217127283	HCKCEOBEBQLXQR-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CCC2(CC2)C1	2217239944	CUUYJWJPALHFBO-CYBMUJFWSA-N	249.785	4.647	0	10	BJAE	
CCc1cc(Cl)ccc1NC1CC2(CCC2)C1	2217276325	SZFNHTCNBMXVIC-UHFFFAOYSA-N	249.785	4.647	0	10	BJAE	
O=C(CC1CCCCC1)C1C[C@H]2CCC[C@H](C1)C2	2218339180	KSUFZMTUXDGKEW-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
CCCNCCC=CCC1C[C@H]2CCC[C@@H](C1)C2	2218361900	RNUKNNJADWJUJZ-ALOPSCKCSA-N	249.442	4.539	0	10	BJAE	
O=C(CCCC1CC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218374365	OJWPOSOXXZQCBI-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C)[C@@H](C/C=C/c1ccccc1)NCC	2219085625	OBSIQTYZTQYNJE-QSNQCMLGSA-N	245.410	4.504	0	10	BJAE	
CCC[C@@](O)(CCCCC1CC1)c1ccccc1	2220027917	MUUPUBOZNUGBBJ-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC[C@H]1C)c1ccccc1	2220659418	KHGDTICUTLWJHM-HLLBOEOZSA-N	245.410	4.554	0	10	BJAE	
CCN[C@@H](CC1CC(C)C1)[C@@]1(C)CC=C(C)CC1	2221632809	RNXIIBNJBFJDEN-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1ccc2occc2c1	2224132938	ZKJSTJOYGLEILJ-GDBMZVCRSA-N	246.350	4.539	0	10	BJAE	
CCC[C@H](CC)[C@H](O)c1ccc(C)c(Cl)c1	2244781338	DPKPLTOYOAPDHH-FZMZJTMJSA-N	240.774	4.508	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](C)C(C)(C)O	2244846249	AFRVZOKCHXGCCV-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
CN[C@H](CCC(C)C)CC[C@H]1CCC[C@@H](C)C1	2246733514	QXYHYBJIEHLISH-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCC)[C@H]1CC1(C)C	2248662109	FJWWJCWPCUOZJU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)[C@H](CC)CCC	2250361254	LBKGQLTUQJQGOZ-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCNCCC=CCC[C@@H](C)CCCC(C)C	2250528603	NJIIYHZOZIVNEI-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CC(C)C[C@H](N)CCC1CC(CC(C)(C)C)C1	2251501627	KKMLPQCHQYGCOH-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
Cc1cccc(-c2nc3c(s2)CCC[C@H]3C)c1	2252749110	SJMICZWIHWGMNJ-LLVKDONJSA-N	243.375	4.558	0	10	BJAE	
CC1CC(C)(CC(=O)C[C@@H]2CCCCC23CC3)C1	2253834194	WZORSVZQXLMGOA-BBBYJDLNSA-N	248.410	4.742	0	10	BJAE	
CC1CC(C)([C@H](N)CC[C@H]2CCCCC23CC3)C1	2253861562	FHURGPNIWAQIOX-LVDPKSTMSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCCCC[C@H]1C[C@@H]1C)c1ccco1	2254526656	BGUYWBWLPJDIBI-SOUVJXGZSA-N	249.398	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@]1(N)CCCC2(CCC2)C1	2254585512	BJICEFPWDFZGNR-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@H]1CC1=CCCCC1	2255137627	PTYUDIUKWQEYTO-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC[C@@H]1CCCC12CC2)[C@H]1CC[C@@H](N)CC1	2255238445	XKOWNTJIUFRRPP-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(OCC[C@H]2CCCC23CC3)c1C	2255310681	LLFILMWAWXGIRK-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)[C@H]2CC23CCC3)CC1	2256429636	YQMPVHXYBZFRDU-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC12CCCC1CCC2	2257363662	ZQSVEXIQKTWSTO-NUWOQIAWSA-N	249.442	4.515	0	10	BJAE	
CC1CC2(C1)CC(C[C@H]1CC(C)(C)CCC1=O)C2	2259546292	YONREXFLAGTPOZ-XJIRZWNVSA-N	248.410	4.598	0	10	BJAE	
C(CCCCCCC1CC1)=C1CCCCNCC1	2259659168	KJEDAWJSOLXAQX-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@]23CCCC[C@@H]2CC3)C1	2260577674	HCWLZCIBURSCBW-CXAGYDPISA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@]12CCC[C@H]1CC2	2260585701	CQQJPCJLLWAMPB-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
Cc1cc(NC[C@@]23CCCC[C@H]2CC3)ccc1F	2260619681	KBWLFADFPFJWSM-BBRMVZONSA-N	247.357	4.516	0	10	BJAE	
Cc1ccccc1NCC1CC(CC(C)(C)C)C1	2261200726	KWMOAXJGKICLKN-UHFFFAOYSA-N	245.410	4.869	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@@]12CCC[C@@H]1CC2	2298724469	XFASEXQMMYZDMD-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H](C)CC2CCC2)C1	2298948221	KNIXPEXWAJQNGV-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCn1ccc2ccc(C)cc21	2300701666	SWENXXWDUQBXQK-UHFFFAOYSA-N	229.367	4.776	0	10	BJAE	
CCC(C)=CCNC[C@H]1CCC[C@H](CC)CC1	2300868252	WPJXSBADIDWLKD-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1(C)CCCC1	2300869683	LTUSHMSEPQVSPW-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CC[C@H](N)C1(CC(C)C)CCCC1	2300871832	JNPKPWSCWGLJJA-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
Cc1ccc(C)c2c3c([nH]c12)C[C@@H](C)S[C@@H]3C	2301730525	RTGAEMIXPVJMRY-GHMZBOCLSA-N	245.391	4.524	0	10	BJAE	
CC(C)[C@@H](C)[C@@](C)(O)CC[C@H]1CCC[C@@H](C)C1	2301903771	XBGPFKSOWFGGIR-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)[C@](C)(N)C[C@H]1CCCC(C)(C)C1	2301944544	GVURMDRWNOBYFH-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC(C)(C)[C@H]2C)c1	2302081065	XPOUTGSMNLXDBO-WFASDCNBSA-N	231.383	4.657	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1CC(C)(C)[C@H]1C	2302081461	AXJWWMKCYADAFW-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CCCC1=CCCCC1	2302331944	QKVORJHSMSBWFO-HZPDHXFCSA-N	235.415	4.565	0	10	BJAE	
CCC1([C@@H](N)CCCC2=CCCCC2)CCC1	2302353745	JRJZASFXYMOYFU-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CCCCC1CC1)NCC	2302573006	AILBPNXDVXKSDS-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(CC[C@H]2CCCC[C@@H]2N)CC1	2302659531	AMFWHZWOSVBRET-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCNCC[C@H]1CCC(C)(C)C1	2304362609	WVIWOGDXAZJYQR-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)C1(CC(C)C)CC1	2307819592	NPSYFEUZCGJIIX-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC1(CO)CC(C(C)(C)C)C1	2307897593	CKXUVRXHKLGUGR-VQCLRJIVSA-N	240.431	4.638	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2C[C@@H]3CC[C@H]2C3)cc1	2308575631	WSWPPJOZVFRJDP-LNCBFAARSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](O)CC[C@@H]2C[C@H]2C)cc1	2311274560	KWRCHZQJUXXCQD-KFZJALRRSA-N	246.394	4.670	0	10	BJAE	
CC1CCC(C)([C@@H](N)C[C@@]23CCC[C@@H]2CC3)CC1	2313322687	MFJUSMUYSXAGIJ-QLOXVCQLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(N)(C(CC2CC2)CC2CC2)CC1	2313685941	FRZFQFDFJBNVHZ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H](C)CC1CCC1	2313692517	PGDVVXHMNCZOQH-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCc1cc(C(=O)[C@H](C)C2CCCC2)ccc1C	2314709939	BOUCQJHGUNVBEZ-CYBMUJFWSA-N	244.378	4.566	0	10	BJAE	
CCc1cc([C@H](N)C2(CC)CCCC2)ccc1C	2314713532	UMXLDARVSZYZOK-INIZCTEOSA-N	245.410	4.528	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CC(C)=C[C@H](C)C1	2316504848	YBQDHNBJFNXJNN-USXIJHARSA-N	249.442	4.703	0	10	BJAE	
CC(=CCC(=O)C1(C2CC2)CC1)CCCC(C)C	2316508493	CHMZCSWEJFDQEG-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2316509080	GDHWMKOZKPKWHQ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CC(=O)CC(C)(C)Cc1ccccc1	2317282858	GSBRTRMJXAADNZ-UHFFFAOYSA-N	246.394	4.651	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)c1ccc2occc2c1	2317836849	IOCOHSBYKKQPAW-NEPJUHHUSA-N	244.334	4.544	0	10	BJAE	
CCCCCCc1cc(C)cc(CNCCC)c1	2318369481	XCYCWYHPJHJLHC-UHFFFAOYSA-N	247.426	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCCCC2=CCCCC2)[C@@H]1C	2318530608	CENCXWYVETXHBR-BFYDXBDKSA-N	249.442	4.681	0	10	BJAE	
CNCC1(CCCC2=CCCCC2)CCCCC1	2318583911	VCTHBAQBJWBIGK-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
Cc1cccc2c1ccn2C[C@H]1CCC(C)(C)C1	2319141008	MXHYKVKAIMKDKW-AWEZNQCLSA-N	241.378	4.776	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@@H]1CCC(C)(C)C1	2319289635	WARYLWZMPALNBT-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CCC1([C@H](N)CC[C@H]2CC[C@@H]2C2CC2)CCCC1	2319732197	ZGZGWIWDTYIPRE-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(NCC[C@H]2CC[C@H]2C2CC2)c1	2319751762	VCRSOEYGEWJHQG-CVEARBPZSA-N	243.394	4.542	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H](C)[C@H]2CCC[C@H](C)C2)CC1	2320240484	MKPLJLYPIUWLPQ-NKKGCODLSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CC[C@H]2C(C)(C)C)CC1	2320410428	DOUBIISDYXWOPW-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](O)c1cccc(C(C)C)c1	2320517533	QLZWLGVCFPNMSU-PVAVHDDUSA-N	246.394	4.670	0	10	BJAE	
c1cc(N[C@@H](CC2CC2)C2CC2)cc(C2CC2)c1	2320617434	WEOLKLCGXRSDBJ-KRWDZBQOSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)CCC[C@@H]3CC[C@@H]32)C1	2321599496	VDKLBRCRJSFMGD-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CCN[C@H]2CC23CCCCC3)C1	2321605104	IZGNVTDMLXGJOL-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC[C@@H]1CCC(C)(C)C1)c1ccco1	2321645674	QHPVHEQJNOBKIA-ZIAGYGMSSA-N	249.398	4.537	0	10	BJAE	
Nc1cccc(C=Cc2cccc(C3CCC3)c2)c1	2343797811	XDWXDCLENIJMTH-UHFFFAOYSA-N	249.357	4.707	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1ccc(C)cc1	21011429	IFEXGERDOXBNIC-GXTWGEPZSA-N	219.372	4.622	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H](CC(C)C)c1ccccc1	37118108	KWJNPLZTWKLZJJ-RDJZCZTQSA-N	247.426	4.798	0	10	BJAE	
CCCC[C@@H](NCCC)c1ccccc1Cl	71085510	MPCBXPHNKIYVGC-CQSZACIVSA-N	239.790	4.571	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@@H]1CCC[C@H](CC)C1	71156035	GKZDDKFCXYRDIL-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H]1C[C@H](C(C)(C)C)CCC1=O	82434049	OSWJZBPKAJNPLD-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCCCCN[C@@H]1CCC[C@@H](CC)CC1	83435170	LNWNEZHPQKFVOT-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCCC1CCC(O)(C[C@H](C)CCC)CC1	83502570	UXBQBDILSHIIDZ-WLYUNCDWSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](O)(C2CCCC2)CC1	86961382	LJHJRGJVYFDFLC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2ccc(F)cc2C)C1	87984164	DJRSHQYSMXOJGI-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
C1=Nc2ccccc2/C(=C/c2ccccc2)S1	90751225	LNVURSUADMHHKO-GDNBJRDFSA-N	237.327	4.591	0	10	BJAE	
Cc1cc(F)cc(NC2CCCCCCC2)c1	91510287	XDVVQUFXOFSWTG-UHFFFAOYSA-N	235.346	4.659	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1cccc(OC)c1	107539892	YVQCDJXNVRERTM-FMFIFOJESA-N	218.340	4.545	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cc(Cl)ccc1C	124252695	PVHCHPGPDILKOK-CQSZACIVSA-N	240.774	4.508	0	10	BJAE	
CCC(CC)CNCc1ccc(C(C)(C)C)cc1	124773206	ZJZUJLMCKLKNKW-UHFFFAOYSA-N	247.426	4.510	0	10	BJAE	
F[C@H](CC1CCCCC1)c1cccc2c1NCC2	135503670	IDSZPGIMXIQAIC-OAHLLOKOSA-N	247.357	4.636	0	10	BJAE	
CCC(C)(C)c1ccc2c(c1)[C@@H](NC)CC[C@@H]2C	136934074	TYRBDXUPEGJORX-LRDDRELGSA-N	245.410	4.532	0	10	BJAE	
CC(C)n1c(-c2ccccc2)csc1=S	141905234	VVPDNBXSEFTBLX-UHFFFAOYSA-N	235.377	4.527	0	10	BJAE	
Cc1ccc2ccccc2c1-c1ccc(C=O)cc1	160959846	IMSHXTJTAKJMNW-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
C/C=C/CCN[C@H]1CCC[C@@H](C(C)(C)C)CC1	161701268	OPQARDZATPOVDG-MUHKLVGJSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccc(C(C)C)cc1	163749847	BCVUOAUSCMNIBT-BBRMVZONSA-N	231.383	4.801	0	10	BJAE	
CCCC[C@H](CCC)NC/C=C/c1ccccc1	226038171	RMDPOZBCDWQFIZ-VEMDQMBVSA-N	245.410	4.648	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1	229188957	GZIFXBIQVMZXAZ-CBBWQLFWSA-N	238.415	4.844	0	10	BJAE	
CC(C)C1CC(Nc2cccc3ccccc23)C1	232551593	GSAJLJWDUMMRAS-UHFFFAOYSA-N	239.362	4.686	0	10	BJAE	
CCCC(CCC)Nc1ccc(CC)c(C)c1	302292350	KVIJQGPQAMYRRQ-UHFFFAOYSA-N	233.399	4.938	0	10	BJAE	
CCCC(CCC)[C@H](CCC1CCCC1)NC	302295995	YQCNSWYFRSGMPL-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCCCCC(C)(C)C)c1ccccc1	302331558	SNCUROVSGKPYSY-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cccc(C2CCC2)c1	306053796	USFPUUPHGKQWFT-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CCc1ccc2cc(Cl)sc2c1SC	307161569	GMJSFHMZFAZDAV-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](NC)c1ccc(C)c(C)c1	308073479	LNGLWTAKJDLDPN-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CC1(C)CC[C@@H]1Nc1ccc2sccc2c1	309289029	JHVAYWAJCXTYJN-ZDUSSCGKSA-N	231.364	4.502	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)CCC(C)(C)C2)CC1	310137361	MIDBBQCJBHHBMG-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CC2(C)CCCC2)C1	310390934	KYVLULBFRTYCBW-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](N)(CC)CC1CCC(C)(C)CC1	310546396	VBQOJGWIXWANSE-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CN[C@H](C1CCCCCC1)C(C)(C)C(C)(C)C	310549241	FWEYUEYBLINUGE-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)C(=O)Cc1c(C)cc(C)cc1C	310700067	YHAGEEJDZMRPNZ-CYBMUJFWSA-N	246.394	4.550	0	10	BJAE	
CC1(CC(=O)c2ccccc2C(C)(C)C)CCC1	310851007	PORXLAGPOPGNLQ-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCC1(C[C@@H]2Nc3ccccc3C[C@@H]2C)CCC1	310950163	LVWULMFKJMJRIC-BBRMVZONSA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1[C@@H](N[C@@H]2CCCC23CCCCC3)CC[C@H]1C	313008417	IHMHMCSLZXOUOF-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)CCC[C@@H](C(C)C)CC1	319608987	MBUGEXMPDZUBJM-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(CNC)CCCCCCC1	319796473	NSQVAAODTUHWDJ-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](N[C@@H](CC)c1cccc(C)c1)C1CC1	324087345	IVNADAZUGRZKGZ-DLBZAZTESA-N	245.410	4.614	0	10	BJAE	
CCC(CC)[C@H](CC/C=C\c1ccccc1)NC	324318036	UEFQFZKBGXHTQV-GQPJMJRUSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCC12CCCC2)C(C)C	379924227	RQMPJZGHYNAXCF-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCCC1([C@@H](O)C[C@@H](C)C2CCCCC2)CC1	383729922	ZZLHVLISRAOFFQ-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CC/C=C\CN[C@H](CCCC)c1ccc(F)cc1	384768722	BMSSICHSORUPGA-GMNBZTITSA-N	249.373	4.613	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccsc2Cl)C1	387210253	JLCRZBOJFQPUCC-UWVGGRQHSA-N	243.803	4.782	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1C[C@H]1CC(C)C	387713648	NGHIZLBKJWIZKL-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CCCC1)C(C)(C)C(C)(C)C	393848373	SSDDABUIWSEDCE-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CCC[C@@H](CC)C1	394555145	HLRNEBOEUWOMIK-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](N[C@H](C)c1cc(C)oc1C)C1CCCC1	395647360	WBOOSTTZCCBWNR-MLGOLLRUSA-N	249.398	4.516	0	10	BJAE	
C[C@H](C[C@H](O)C[C@@H](C)C1CCC1)CC(C)(C)C	398540747	VZCUYDNLTORRPD-NFAWXSAZSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCC1CCC1)CC1=CCCCC1	398652165	LLHOWFDUSROBPZ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)C(C)(C)C	687693384	SWGWPBVUVKLDAI-UKRRQHHQSA-N	247.426	4.798	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)C[C@H](C)CC	688376213	YDBOBPLOQIPFKL-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC[C@H]1CC)C1CCC1	691191666	XQIBKTHMNKMGKC-VNQPRFMTSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1cccc(C(C)(C)C)c1	691649962	HRORNEAJWPJGAY-CZUORRHYSA-N	247.426	4.810	0	10	BJAE	
CC[C@@](O)(c1ccc2sccc2c1)C(C)(C)C	691864092	UIPMLNNDMLPPTK-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@]23CCCC[C@@H]2C3)CC1	693548693	OYWOKBFSZVVGHS-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCC12CCCC2	694421098	VTGPEMWONRHCTI-CQSZACIVSA-N	249.785	4.783	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H](C)C(C)(C)CC)C1	695107666	OMBGTSYFRJZWIO-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@H](CCC(C)(C)CC)c1ccccc1	696686457	ITYZJUBTKBVAIC-INIZCTEOSA-N	247.426	4.596	0	10	BJAE	
CCC[C@H](C)C[C@H](CNCC)C1CCCCC1	696857899	UOJZAQIMDNHCQI-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccccc1C(C)(C)C	701114295	YWZALTXQCLUBKA-HNNXBMFYSA-N	248.410	4.844	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@@]1(C)C[C@H]1C	704359276	MSZCWRWMPOLHQH-FMKPAKJESA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@@H]1CCCC[C@@H]1C	704854701	NVOXJZWNMWYARX-UAGQMJEPSA-N	246.394	4.501	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)CCCC(C)(C)C	704960527	QMUBGKNLPFXRJY-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(NC[C@H](C)CC(C)(C)C)c(F)c1	709105165	SHXQJEGOGOTBHX-GFCCVEGCSA-N	237.362	4.618	0	10	BJAE	
CCC[C@@](N)(C[C@H](C)CC(C)(C)C)C(C)(C)C	709211948	JXVNNKKROHSXPC-CZUORRHYSA-N	241.463	4.993	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1C[C@H]2CC[C@H](C2)C1	710867488	YVCKRRXHPQBYKB-LAQFHYBYSA-N	241.378	4.555	0	10	BJAE	
CC[C@@H](CC(=O)C1CCCCCC1)C(C)(C)C	711186447	JTUPXWMEDARPEW-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)C[C@@H](C)c1ccccc1	713182955	OCABFSPIROMWTB-ZBFHGGJFSA-N	248.410	4.613	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccccc1C(C)(C)C	713208212	FBHBWZWLKJBVEL-OAHLLOKOSA-N	248.410	4.844	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CC(C)(C)CC[C@@H]1C	717535740	VMXAXMONSXRMKD-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)CNC1(C2CCC2)CCC1	717862784	KZAAIKCCWJZTEU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1CCC(C)=C(C)C	718490050	AWUDWUNEALQAPT-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)Oc1cc(CC2CC2)cc(C(C)(C)C)c1	725409927	QCXRKDJCAJXTDX-UHFFFAOYSA-N	246.394	4.724	0	10	BJAE	
C=C/C=C/CCCc1ccc(Cl)c(C)c1	757156403	IOKQONYEHYXFEG-SNAWJCMRSA-N	220.743	4.713	0	10	BJAE	
CCCCCN(Cc1ccc(C)c(C)c1)C(C)C	1204270641	PBTFXSHNGPZLLV-UHFFFAOYSA-N	247.426	4.704	0	10	BJAE	
Cc1ccccc1CSCc1ccc(F)cc1	1559317622	IDDPBMXNAPQDLV-UHFFFAOYSA-N	246.350	4.568	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1cc(C)ccc1F	1620889974	RBSBAUKQXRBMEA-KGLIPLIRSA-N	247.357	4.538	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)CCC1CCCCC1	1908554624	KECFMWVVGHLBBY-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@@]12CCCC[C@@H]1C2	1909910283	QUMBILTUVOEVOU-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CN[C@@H](CCC=Cc1ccccc1)CC(C)(C)C	1912047847	QDTXKVAAVITFCA-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1[C@H]1C=CCCC1	1913391394	VKVNCJUUBOGAHM-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CC1(C)CCCCC1	1919969089	GRMVARFBFKNXLA-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@@H](NCC)C1CC(C(C)C)C1	1921294627	ROGMHUDTWIMHQR-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
N[C@H](C1=CCCCCCC1)[C@@H]1CCCC12CCC2	1921585603	HHTXKFDWSZZJLA-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
C[C@@H](C(=O)C1CCCCCC1)C1CCCCC1	1924098935	IHNBVBQBDTYXBY-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC[C@@H]1C=CCCCC1	1925823125	RNVSIDLGPYWJAL-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
Clc1cccc(C[C@H]2C=CCCC2)c1Cl	1932606190	DMEGVGCXGFLKCR-JTQLQIEISA-N	241.161	4.892	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](CCCC)NC	1939119961	YDQMYSCDPLJKPH-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](CCCCC1(C)CC1)NCC	1939121811	FQNCTIYDPSDGSS-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCN[C@H](C)[C@@H](CC1(C)CCCCC1)C(C)C	1940416207	QAISKVVDDTZPQK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@H](CCC[C@H]1CC1(C)C)NCC	1940876835	NKJDEKLXFAJCSK-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)cc2c3c([nH]c12)C[C@H](C)C[C@@H]3C	1941015981	LGQYLAKSLFIUCJ-BDAKNGLRSA-N	247.769	4.816	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NC[C@@H]1CCC(C)(C)C1	1945590900	HVGFRWYNLOCZHY-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
Clc1cccc2cc(C[C@H]3C=CCCC3)oc12	1947560569	ATOUTIIDUUIROS-NSHDSACASA-N	246.737	4.985	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCC[C@H](C(C)C)C1	1949046895	JRVIAURVMORYPC-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
Clc1cccc(NC[C@@H]2CC23CCCCC3)c1	1950645250	UKFAXEIOMOYKKJ-LBPRGKRZSA-N	249.785	4.722	0	10	BJAE	
CCC[C@]1(CNC2CC2)CCCC(C)(C)CC1	1950918827	LIYQGNIRQSNUMR-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCC(C)C)[C@H]1CCCC(C)(C)CC1	1950920230	SVDZBLYOIZZIPM-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CN1[C@@H](C)C[C@@H](C)C[C@H]1C	1963229778	UGCKYNNFDLRWBS-FZKCQIBNSA-N	239.447	4.712	0	10	BJAE	
CCC[C@@H](N[C@H]1C[C@@H]2CCCC[C@@H]2C1)C1CCC1	1967696984	QBSHUYVBTZOUMQ-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](NC[C@H]1CCCCC12CCC2)C1CCCC1	1967863965	AMTHPOKOAPDECG-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NCC2C[C@@H](C)C[C@H](C)C2)cc1C	1968254937	OUPYDJCEAUNUCS-STQMWFEESA-N	245.410	4.788	0	10	BJAE	
C[C@H]1CC[C@H](CNc2ccc(C(C)(C)C)cc2)C1	1968276175	XEKFGEKGLKRDTI-KBPBESRZSA-N	245.410	4.832	0	10	BJAE	
CCc1ccc(OCC[C@@H]2CCC[C@H](C)C2)cc1	1968345831	FWFZURPDKKLGLG-HOCLYGCPSA-N	246.394	4.844	0	10	BJAE	
CCc1cc(NC2CC(CC)(CC)C2)ccc1C	1969679574	LORMTMIRXXZJFO-UHFFFAOYSA-N	245.410	4.938	0	10	BJAE	
CCCC(CCC)N[C@H](C)C12CCC(CC1)C2	1973849877	SNWIFZWYHHXVFE-VQCLRJIVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@H](C)CC(C)(C)C	1978639687	RWBNCSUGCMIQFE-UKRRQHHQSA-N	227.436	4.604	0	10	BJAE	
CCCC(C)(C)C(=O)CC1(C(C)C)CCC1	1989448554	MFMNITBFXARQAY-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC1CCC(C[C@@H](CC)C(C)=O)CC1	1989836075	AKBPPFVYCLSSGC-YMAMQOFZSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1(CC)CCC1	1990093060	GZKVAICYCBYQTM-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CC(C)C[C@@H](C)CN(C)CC1(C)CCCCC1	1995984313	YLXIAIJDFFZNKC-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC(C)(C)CCCNC[C@H]1CCC=CCCC1	1999992592	WFRPUFMJNLHVGT-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CC1(C(=O)C2C(C)(C)C2(C)C)CCCCCC1	2000214128	VXZFWDIEPLLMPJ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)[C@H](C)CC(C)C	2000504960	MOXINPURJAERJO-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)CCC(=O)[C@H]1CCCCCC1(F)F	2000762137	AJMWECHCEYBPCX-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC(C)(C)CC(C)(C)NC[C@]1(C)CC=CCC1	2001693027	CQNZCVCTQYTZIW-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@](C)(O)[C@H]1[C@H]2CCCCC[C@H]21	2002761523	BZKUXIRVTGADSP-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCN[C@@H](C)[C@H]1CCCC(C)(C)C1	2003009042	WOJYFUKWNGOTNF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H]1CCCC(C)(C)C1	2007857758	VTLHJGWSGIYIPI-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](C=C1CCCC1)NCC	2007938778	BBEAORUGPPBIRW-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@H](C)CC[C@H]1N	2009417985	CWNLSNQVEVOEKR-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CC=CCCC[C@H](N)c1ccc2sccc2c1	2009599466	ZPGPXZMQNWGYRI-AWEZNQCLSA-N	245.391	4.648	0	10	BJAE	
C/C=C/CCC[C@H]1CCCCCCCC[C@@H]1N	2009628160	MLNTZQMIYXAOJL-HSSFLUBNSA-N	237.431	4.811	0	10	BJAE	
FC1(F)CC12CC(CC1CC(=C3CCC3)C1)C2	2011084484	CYMJZBHMTHHAJW-UHFFFAOYSA-N	238.321	4.702	0	10	BJAE	
CCCC[C@H](C)C(=O)C1CC2(C1)CC(C)(C)C2	2012119582	WGPOQEWBCZMNGW-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](N[C@H](C)C1(C)CCCC1)C1CCC1	2014336273	CKDJDNOBVKSHHN-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)CCC(C(C)C)C(C)C	2015343739	GEEKACXTAMLSJG-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@H](CN)CCCC(C(C)C)C(C)C	2015361301	RZNNHLSNCIDNBC-OAHLLOKOSA-N	241.463	4.706	0	10	BJAE	
CCCC1(C[C@H](N)C(C(C)C)C(C)C)CCC1	2015589092	OADHEVMXNPBNBV-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C1(CCC2(CO)CCCC2)CCC1	2017117570	WRXDGYCLTLPDOM-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)C1(C(C)(C)C)CCC1	2017138117	GLHQSSQWDWPUTJ-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)C2(CC)CC2)CC1	2017722726	RJYZCRDEIGMREA-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@]2(C)CCC(C)(C)C2)C1	2017914389	UFRZMLUXFSJBHU-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CCCc1ccccc1OCC1(CCC)CC1	2018917131	NNAWWSBURHECKC-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N1CCCCCCCC1	2019197750	CXKCBJKJGRPMFK-JKSUJKDBSA-N	237.431	4.611	0	10	BJAE	
CCCCCCNc1ccccc1C1CCC1	2021027086	OZLNPOFCUFTCHB-UHFFFAOYSA-N	231.383	4.946	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@@H]1CCCC(C)(C)C1	2024095208	PWQDHOSFGGNXKV-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@H]1CC(C)(C)CC[C@H]1O	2024148604	QOUWGNFNEMWXSO-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CCCC1(C)CC1	2027822259	PNRKNBYDZGOFFO-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)c1cccc(C2CC2)c1	2028552056	LYEDHUACTVUFPP-MLGOLLRUSA-N	246.394	4.670	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)c1cccc(C2CC2)c1	2028552057	LYEDHUACTVUFPP-WBMJQRKESA-N	246.394	4.670	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@@H]2CCC[C@H]21)C1CCCCC1	2028770120	CAOGNYOOLDUHFH-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CC1(CCCC(=O)c2ccc(C3CC3)cc2)CC1	2029072987	ACVDSVCIEZXYGN-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC[C@@](O)(c1cccc(C)c1)[C@H](C)CCC(C)C	2029837194	NQCJACCIAMASSC-WBVHZDCISA-N	248.410	4.665	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)c1ccc(CC)cc1	2029966144	GMDFROLUBDNIFX-CABCVRRESA-N	247.426	4.726	0	10	BJAE	
CC[C@H](C)[C@@H](NC)c1ccc(C2CCCC2)cc1	2031750218	PTUWGQHBTMALLJ-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
C[C@H]1CC(CC(=O)[C@H]2CCCC23CC3)C[C@H](C)C1	2031817497	AUIFFXAXUCVLLB-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)c1ccccc1	2032515924	VUVSXEMDPRRPTM-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1CCC[C@H]1C1CC1	2032700276	DLOYHILKGVXLTH-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(CNC2(C3CCCC3)CCC2)CC1	2033048643	NCIVFVZTCTTZRU-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H]1CCCC2(CCCC2)C1	2034369920	BDGINMAEZCPFJP-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc([C@@H](N)C[C@@H]2CCC[C@@H](C)C2)c1C	2037048819	SVQVBLKQANICBN-VMGRFDJRSA-N	245.410	4.520	0	10	BJAE	
CC(C)(CC[C@]1(N)CCCC[C@@H]1C1CC1)C1CC1	2037160797	OKAHEFILPHNPHU-NVXWUHKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCN([C@H]2CCC3(CCCC3)C2)C1	2037674845	IFJLVGRMJAWWMQ-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
C[C@H](C[C@H](N)[C@H]1CCC2(CC2)C1)C1CCCCC1	2038570370	CIJOQQSGCCDRHI-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@H](N)CCC(C)(C)C1CC1	2039432042	LATPOVAPNRDURN-FVQBIDKESA-N	249.442	4.523	0	10	BJAE	
CC1([C@H]2C[C@H](N)C23CCCCCC3)CCCCC1	2039843346	JDDXQJDFDYUGKU-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCC[C@@H]1CC1(C)C)[C@@]1(C)CC=CCC1	2042031767	WKACTHRYJKHWLP-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CCC(C(=O)C2C[C@H]3C[C@@H]3C2)CC1	2045456377	CJNHVEJWQRBALC-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](c1cc(C)co1)C1(C)CCCCCC1	2045797025	NDTZSNPAFFABEX-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCC1([C@@H](C[C@@H]2CC23CCCC3)NC)CCCC1	2047008756	ORTZOGKLIGTFRO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC([C@@]2(N)CCCCC23CCCCC3)C1	2047563032	XIJADZRROBUYOF-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCc1cc(NC[C@@]2(C)CC=CCC2)ccc1F	2047729267	OOXHIGULCUDTKV-INIZCTEOSA-N	247.357	4.546	0	10	BJAE	
CCCNC[C@]1(CC2(C)CCC2)CCC12CCC2	2047965339	OLUOZSDHNUGVPS-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C[C@H]1CCC2(CC2)C1	2049937191	BGHQEUPAMIXLEN-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCCC3(CC3)C2)C1	2049949700	AWCMKQRRXYHKAB-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
Cc1ccccc1[C@H](N)CC[C@H]1CCC[C@@H](C)C1	2050455184	BWXFYRHMRMUMHG-FRFSOERESA-N	245.410	4.601	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1[C@H]2CCCCC[C@H]21	2051401523	MBVUKJLJSYIXGA-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N(C)C1CCC2(CCC2)CC1	2051646625	UKQUWLKWFUUIDJ-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@@H]3C[C@H]32)CCCCCCC1	2052504049	BQTDNMUOPKAYDX-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@@]1(CC2(C)CCCC2)CCCC12CC2	2053358662	LFRLWGUTEIRQRX-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1ccc(CF)cc1	2055668986	GSMCHAWWNDAVDB-GOEBONIOSA-N	249.373	4.927	0	10	BJAE	
CC1CCC(C)([C@H](N)C[C@@H]2CCC3(CC3)C2)CC1	2056560127	YXCCWNQWFIUJGR-PWUWZPNHSA-N	249.442	4.501	0	10	BJAE	
CC=CCCCc1ccc2c(c1)CCC(C)(C)O2	2059222991	HKUJUIRVHDFWQR-UHFFFAOYSA-N	244.378	4.689	0	10	BJAE	
CCCCC1CC(NC2C3CCCC2CCC3)C1	2059391747	HESSWBLXARCETQ-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CC[C@H](C)C[C@@]1(N)C1=CC[C@@H](C)CC1	2060913000	IMATXBYOQZQZOR-YALNPMBYSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@]1(CNCCC)CCCC(C)(C)C1	2061563718	RODWGCWZTOZDTE-KRWDZBQOSA-N	249.442	4.694	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C(C1CCC1)C1CCC1	2062625550	PZEBVGCSXNYXNT-IUODEOHRSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CC23CCC(CC2)C3)C1	2065335057	LBNBZZLNFWRLQR-XGHPGWEVSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)c1ccccc1C	2065990374	MZCNVJIWPSMXNB-JKSUJKDBSA-N	247.426	4.860	0	10	BJAE	
CCN[C@@H](CC(C(C)C)C(C)C)c1ccccc1	2068820339	QITMGOFEESZDNA-KRWDZBQOSA-N	247.426	4.656	0	10	BJAE	
CCCC1(CN2CCCC3(CCC3)CC2)CCC1	2069267892	HZPJEMOJUHOTAQ-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H](C)c2ccccc2)CCC1	2069339879	OJSCHWYFFLABLO-HOCLYGCPSA-N	246.394	4.512	0	10	BJAE	
CCCC1(C[C@H](O)[C@H](C)c2ccccc2)CCC1	2069339880	OJSCHWYFFLABLO-ZBFHGGJFSA-N	246.394	4.512	0	10	BJAE	
CCCC1(C[C@]2(CNC)CCCC23CC3)CCC1	2069342811	SNLLRXIZLRAUAX-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C1(CC2CC2)CCC1	2069514207	QCKWGLFBGVUQGZ-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)C1(CC(C)C)CC1	2069520004	RVFYGUUIUNUARE-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1cccc(C2CCC2)c1	2071488190	IZXPEPJLOXGHHB-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)c2cc(C)co2)CC1	2072800319	CKNBNLIPAMQOPO-RBSFLKMASA-N	249.398	4.584	0	10	BJAE	
CCCC1CCC(C[C@H]2CCNC3(CC3)C2)CC1	2072814894	GZLZXHXIZZWTMP-UYSNPLJNSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2073346428	MRRAKHIQGIOXGV-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2074648283	HDZDTDPCIUGQJP-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@@H]1CC12CCCC2	2074649977	ZDAYSKULCFONTG-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCNCC1([C@H]2C=CCCCC2)CCCCCC1	2075366885	ZJWWFIPBNAYGPG-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@@H]1C=CCCCC1	2075408932	SHZOMNVFAJGBHC-MRXNPFEDSA-N	244.378	4.996	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC(C)(C)C1)c1ccoc1	2082980390	VBHBBUPSBNYDEL-DZGCQCFKSA-N	249.398	4.537	0	10	BJAE	
CCCC[C@@H](C)CCc1nc2c([nH]1)[C@@H](C)CCC2	2085941770	UWFCTBFPNPSRAH-OLZOCXBDSA-N	248.414	4.608	0	10	BJAE	
c1cc(C2CC2)cc([C@@H]2CCc3ccccc3N2)c1	2088948483	SBBCJFPKSRIFJZ-SFHVURJKSA-N	249.357	4.663	0	10	BJAE	
c1cc(CC2CC(=C3CCC3)C2)c2ccncc2c1	2125733713	QBMIELBZRBYBDY-UHFFFAOYSA-N	249.357	4.668	0	10	BJAE	
CCC(C)(C)[C@@H](N)CCCCCCC1CC1	2210526873	KMXBIUNTBJWRQU-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
Cc1csc(C(=O)CC2(C)CCCC2)c1C	2210579441	YLFGOHRHRHRDJI-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](C/C=C/c2ccccc2)C1	2210661549	AQRAQJNWWMQUEG-YHOLHYGNSA-N	214.352	4.916	0	10	BJAE	
CCC(=O)c1ccc(-c2scc(C)c2C)cc1	2213679308	WMELDTKSJVVXHY-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
CC1(C)CC(C)(C[C@](C)(N)C2(C)CCCC2)C1	2215393675	CQMXJESWTUGASP-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](NC[C@@H]1CC=C(C)CC1)c1cccs1	2215837616	YDQRGDCNFIEEPP-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
Cc1cc(C)c(C[C@H]2C=CCCCC2)c(C)c1	2215999889	VIWRZNDSYZASRW-INIZCTEOSA-N	228.379	4.901	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1C[C@H]2CCC[C@H](C2)C1	2218330701	BFLRGKIJDLALTO-NXOAAHMSSA-N	249.442	4.680	0	10	BJAE	
O=C(CC1C[C@H]2CCC[C@H](C1)C2)[C@@H]1C=CCCC1	2218384219	BZNUWVGKTPYZNE-OFQRWUPVSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@]1(N)CC1(C)CC2(CCC2)C1	2221038096	FHQNVEVEKIFDMZ-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
C(CCCN[C@@H]1CCC2CC1C2)CCCC1CC1	2223124916	YZWVLHCXPKRYGR-OFLPRAFFSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)[C@]1(CNC2CCC2)C=CCC1	2223576070	FIAXYYOHAMKPKX-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C)C[C@H](C)CC[C@@H]1CCC[C@H](C)C1	2246660820	UAXYYWVEBRMWRU-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CC[C@H]1CCC[C@H](C)C1)CC1CC1	2246685782	ZFVWFKBXQZJEMF-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](O)C2CCCCC2)C1	2246731718	YJYDTRGICCBRGP-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC)NC1CC2(CC(C)C2)C1	2246849545	FESOMENDXFVWJO-KXVRIMHRSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)CCCC[C@@H]2C[C@H]2C)C1	2247095675	DNGHKJSNWHAJIS-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCCC[C@H]1C[C@@H]1C	2247160120	RLTVREZNWUCBDU-YHUYYLMFSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H](CC)CCC	2250359537	SEVQNJIEDOEANP-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)CCC(C)C	2250470221	XMACVJNGGZPTLR-HOTGVXAUSA-N	241.463	4.993	0	10	BJAE	
CC[C@H](C)[C@H](N)CCC[C@H](C)CCCC(C)C	2250472078	BUXKDWFFWBJUCB-OWCLPIDISA-N	241.463	4.993	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@]12CCCC[C@@H]1CC2	2251129053	RDOXUELIJUSAJB-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
O=C(C[C@H]1C=CCCC1)C[C@H]1CCCCC12CC2	2253798689	JJESTRRAFUZPLO-LSDHHAIUSA-N	246.394	4.662	0	10	BJAE	
C[C@H](CC[C@H]1CCCCC12CC2)[C@@H]1CCCCN1	2253886793	OWFGNJFSDWYZCM-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC[C@H]1CCC[C@@H](C)C1)c1cccc(N)c1	2253972155	WJKQKWXFKTYDHL-QLFBSQMISA-N	245.410	4.979	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@H]1CCCCCC12CC2	2254517298	QHFHHEMDSFMCQZ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)C1CC[C@@H]2C[C@H]2CC1	2254587549	QUNNBJOERVMRGM-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCCCC[C@@H]1C[C@H]1C)c1ccccc1	2254591636	FSJAWFMDNZRDHT-DJIMGWMZSA-N	245.410	4.554	0	10	BJAE	
CC1CCC([C@@](C)(N)C[C@H]2CCC23CCC3)CC1	2255014161	PIQNZNXXNRQKLG-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(CC)c(NCC2=CCCCC2)c1	2255092987	CGKBHWDLLGQMBG-UHFFFAOYSA-N	243.394	4.724	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@@H]1CC1=CCCCC1	2255138648	YMHXNRJJJHQLEZ-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC2=CCCCC2)CC1	2255143848	MXKHTQQWSGNVIT-HYVNUMGLSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CCCC12CC2)C1(C)CC1	2255293045	ZQFYRYDVMNQBNG-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CC[C@@H](C)C[C@H]1C	2256142171	PEQJAEFABANVJE-LALPHHSUSA-N	249.373	4.625	0	10	BJAE	
CCCc1ccc([C@@H](CCC=C(C)C)NC)cc1	2256301012	IZGPLRKQQYMFPN-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
Cc1cc(NCCCCCC2CC2)cc(C)c1C	2258238994	BDNGTRKWRCHBAW-UHFFFAOYSA-N	245.410	4.994	0	10	BJAE	
CC1CC2(C1)CC(C[C@@H]1CC[C@@H](C)CCC1=O)C2	2259545421	UTFYEMNUKHVOEM-BJOWLINFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)[C@]23CCCC[C@@H]2CC3)C1	2260507776	MRTQEQUDTSVGLT-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@@]23CCC[C@@H]2CC3)CC1	2260648012	QPJUIEQJVRDDMN-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(OC[C@]23CCCC[C@H]2CC3)c1	2260650517	DYIGOFKJIIJGAA-DOTOQJQBSA-N	244.378	4.598	0	10	BJAE	
CCCC(=O)CCCc1cccc(C(C)(C)C)c1	2261406066	MUHYHKQIOCRIHO-UHFFFAOYSA-N	246.394	4.676	0	10	BJAE	
CN(CC=C1CCC1)[C@H]1CC(C)(C)CCC1(C)C	2261448789	HTXBFWSUIWYJAY-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2	2298606752	GUERZPZOMWJWMC-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)[C@@H](O)C[C@@]12CCCC[C@@H]1CC2	2298713048	HHNYWKAIQVAIMC-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@@H](C)CC1CCC1	2298903903	DGWFZVPJLQLZNB-DZGCQCFKSA-N	238.415	4.844	0	10	BJAE	
CC(=CC[C@H](O)CCC(F)F)CCCC(C)C	2300893935	YXUIUEOHKQFCAR-ZDUSSCGKSA-N	248.357	4.555	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H]1CCCCCCC[C@@H]1O	2301856270	IHHPJJZEPUYENU-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)CCC1=CCCCC1	2301908796	WEXCFZWJKRSPTJ-GOEBONIOSA-N	237.431	4.667	0	10	BJAE	
CC(C)C(C)(C)CC(=O)CCC1=CCCCC1	2301924428	UFJJJLLZPZHZBU-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)CCCC1=CCCCC1	2302358984	LZHJGEOGIIWVSB-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303474587	GVGJNXCXYLCYKQ-DZGCQCFKSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@H]1CC[C@H]1C(C)(C)C	2303510014	FFISZMKJQLCZDM-QLFBSQMISA-N	239.447	4.602	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1CCC(C)=C(C)C1	2303524629	SIWGLXJGTCEJCZ-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2CCC(C)(C)C2=O)C1	2304447772	RCRXQEUGRWRDBL-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(N)CCCC(C)(C)CC1	2307748824	DMMIIBGALSTUEV-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)CN1CCCC[C@H](CCC)C1	2307749169	HPQVHHAAKMFMCX-HOTGVXAUSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)CC1CCCCC1	2307827102	UOTWFVZKWCMOIU-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1)C1(C)CCC1	2309528342	SQVRJBUMWBGTMY-JYYAWHABSA-N	249.442	4.514	0	10	BJAE	
CC(=CCN[C@@H]1CC[C@H]2CC[C@@H]21)CCCC(C)C	2316500299	YJEBPAAEADHVDB-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(=CC=C1CC[C@H](CCN)C1)CCCC(C)C	2316534082	BDRIIAAEYBBLIM-QGZVFWFLSA-N	249.442	4.834	0	10	BJAE	
CCC(C)=CC[C@@]1(N)CCCCC12CCCCC2	2316542278	NZLUOJDYXUELJD-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CN[C@H](C[C@H](C)[C@H](C)C(C)C)c1ccccc1C	2317830255	GDUQIYSKWSBKAL-ZMSDIMECSA-N	247.426	4.574	0	10	BJAE	
O=C(CCC1=CCCCC1)CC1CC(=C2CC2)C1	2317936633	PDOLAUFKYBVGEO-UHFFFAOYSA-N	244.378	4.727	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C[C@@H]1CC=CCC1	2317973975	GKKHFIYNGOVPTQ-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC1(C)CC[C@H](N)[C@H](CCCC2=CCCCC2)C1	2318541498	UCSLPTPZFKYZHC-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CN(CCCC1=CCCCC1)C[C@H]1CCC1(C)C	2318578189	KXIQGFZEQWWJOG-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(C(C)(C)C)CCCN2)CC1	2320334504	PWJSYRFEBSMZRL-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C[C@@](O)(C[C@@H]2CCC(C)=C(C)C2)C1	2320340055	IUIKHDGRZOFYMY-ZACQAIPSSA-N	248.410	4.620	0	10	BJAE	
CC1=C(C)C[C@H](CNCCC[C@@H]2CC2(C)C)CC1	2320375776	XASLBNIEQJKCEY-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC1(CN[C@H](CC2CC2)C2CC2)CCCCCC1	2320522431	AJWAIALVJKXEIM-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@@H]2CC[C@H](F)C2)c1	2320576413	PLUKLHAAJQAUMD-DOMZBBRYSA-N	248.341	4.521	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H](CC2CC2)C2CC2)C1	2320697914	YTOQWFOBOJSIIG-WQVCFCJDSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2C=CCCCCC2)c1	2321078495	GSBBXBYQSJBPNL-OAHLLOKOSA-N	247.357	4.689	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	2321085257	QZYMFIAZNSKCSG-JYAVWHMHSA-N	249.373	4.625	0	10	BJAE	
Cc1cc(C(=O)CC[C@H]2CCC(C)(C)C2)c(C)o1	2321623235	WLVQGIHFJLHGGV-ZDUSSCGKSA-N	248.366	4.686	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@@]2(C)CC2(C)C)c1	2327678317	SYKACYODKSXRJU-DOTOQJQBSA-N	246.394	4.588	0	10	BJAE	
Cc1cc([C@@H](C)Nc2cccc(Cl)c2)c(C)o1	20438171	QZYOMGHFTMDVGF-SNVBAGLBSA-N	249.741	4.723	0	10	BJAE	
CCCC(CCC)Nc1ccc(C)c(F)c1	21811257	PYMCAFGURULGMC-UHFFFAOYSA-N	223.335	4.515	0	10	BJAE	
CCC[C@H](C)[C@H](NC)c1ccc(C(C)(C)C)cc1	35493517	INNZWPAPOWPJJG-BBRMVZONSA-N	247.426	4.681	0	10	BJAE	
CCCCC[C@@H](NCC)c1cc(C)sc1C	35552134	KXRMQUMJWXNYMC-CQSZACIVSA-N	239.428	4.596	0	10	BJAE	
CCCC[C@@H](NCCC)c1ccc(C)cc1C	35579470	HPIZSHBDOTYQTQ-MRXNPFEDSA-N	233.399	4.534	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)[C@@H](C)CC[C@@H]2C	49829128	FJZIIKIBMSOORR-UWVGGRQHSA-N	237.774	4.859	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)c1ccsc1	50343691	VESGYWDZDFGDLT-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
C[C@H](c1cccc(Br)c1)C(C)(C)C	60297229	ZOHGNDMBMDOEPK-SECBINFHSA-N	241.172	4.599	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2CCCC2)c(Cl)c1	71085749	ZMPLMIKDHGUCDZ-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCN[C@@H](c1ccccc1)C1CCCCCCC1	86579166	WIDWTJYOYXBIHG-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CCCCCC[C@]1(O)CCC(C)(C)C[C@@H]1C	88132253	HJRMGLPHCVWXKW-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](/C(C)=C/CCNC(C)C)C1	93675544	BTPAYZIGGZHQLJ-RCVIBLRSSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]1CC[C@@H](C)C[C@@H]1C[C@@H](C)CCC	109661465	QKXCINBMYCIOTE-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)Cc1ccc(C)cc1	109710603	SXHJTMAOVWQTBT-OAHLLOKOSA-N	246.394	4.713	0	10	BJAE	
CC[C@H](C)C[C@@H](N)C(CC)(CC)c1ccccc1	109747659	UWSRSLYWFKTZAS-GOEBONIOSA-N	247.426	4.508	0	10	BJAE	
CC(C)(C)c1ccc([C@H](O)C2=CCCCC2)cc1	109791550	PCAPECOWPDEPNX-MRXNPFEDSA-N	244.378	4.518	0	10	BJAE	
Cc1coc2ccc(Oc3ccccc3)cc12	123723520	IPLFTMBFWJANFP-UHFFFAOYSA-N	224.259	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)CC1CCCCCC1	126125411	VZQAWVGOCDXBIK-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCNCCCCC1CCC(C(C)(C)C)CC1	130272122	WJUDKVALWHGMJY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@@H]1C[C@H](CCC)CC[C@H]1CN	132151481	KCVQCEKNFVZLPG-XUWVNRHRSA-N	239.447	4.604	0	10	BJAE	
CCCc1csc2ccc(Cl)cc12	145957627	CZBACNCGYXBXDV-UHFFFAOYSA-N	210.729	4.507	0	10	BJAE	
CCC(CC)COc1ccccc1C(C)(C)C	149501607	FQMQGSSZXQRQCG-UHFFFAOYSA-N	234.383	4.799	0	10	BJAE	
CCCNC[C@H](C1=CCCCC1)C(CC)CC	161451670	WZRBCICYHDUIIU-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)c1cccc(C)c1C	163481726	AFAODGBTPPBXKN-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
Cc1oc2ccccc2c1[C@@H](O)CCCC(C)C	165664547	SKWLPRFAVCGCRH-AWEZNQCLSA-N	246.350	4.601	0	10	BJAE	
CC(C)CCC[C@]1(N)CCC[C@H](C(C)C)CC1	165690275	HRWXUVKJHUIAKK-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@@]1(N)CCC[C@@H](C(C)C)CC1	165690672	HRWXUVKJHUIAKK-HZPDHXFCSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](CC)c1ccccc1	168072865	GDBAJHNGPIVTIP-DLBZAZTESA-N	247.426	4.595	0	10	BJAE	
CCCC(CCC)C(=O)c1cc(C)ccc1C	211778185	JUPAKXFAUGVVJG-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CC(C)=CCN[C@@H](C)c1ccc(CC(C)C)cc1	219249825	RNDROGVOTMKBOE-HNNXBMFYSA-N	245.410	4.502	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H]1C[C@@H](C)CC[C@@H]1C	221687425	CPLHRPYPBCFUOY-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CCC)Nc1ccc(Cl)cn1	226063769	UKBBGBQKZDILTN-GFCCVEGCSA-N	240.778	4.506	0	10	BJAE	
CCCCCC[C@@H](O)[C@@H]1CCC[C@@H](CC)C1	226985543	IUDFFHHFMRTTOG-RBSFLKMASA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@@H]1CCC[C@@H](CC)C1	227005777	VXOJEIYDJNWCIP-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](c2c[nH]c3c(F)cc(F)cc23)C1	235730037	MLFCYSGONXRQBD-UWVGGRQHSA-N	249.304	4.740	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@H]1C)c1ccc(C)cc1	251042295	CUWOMBAHGBXTBK-PVAVHDDUSA-N	245.410	4.614	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H](C)c1cc2ccccc2o1	252421292	YZJPZYNDIQVYIS-RWMBFGLXSA-N	245.366	4.518	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1C	253195777	RYNZJQPRLRBZCI-ATCWAGBWSA-N	244.378	4.558	0	10	BJAE	
CC(C)CCc1cc(N)sc1CC(C)(C)C	257577638	ICKPBZOXDQEDBU-UHFFFAOYSA-N	239.428	4.508	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@H](C)CC1	300691702	YDDCGEOABLEFEE-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1ccccc1Cl	300957551	QNFFUDCDKNYHEW-NSHDSACASA-N	238.758	4.595	0	10	BJAE	
CC(C)NCC1(CCC2CCCC2)CCCC1	302236678	AHMGYKSWBKNUOB-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1CCCC(F)(F)C1	302406077	KJHISCDVIMHNFC-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](CNC1CC1)C1=CCCCC1	302607310	XLJNHUWGNBKVCK-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](C)C(=O)c1ccccc1	304152282	CYPOAIOHZTWXRD-ZIAGYGMSSA-N	232.367	4.578	0	10	BJAE	
CC(C)C[C@H](C)CC1(CNC(C)C)CCCC1	305926169	IVQAUMPEYOWAPG-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCc1cc2scc(SC)c2cc1Cl	307033419	SUMJGHGLSCIJOD-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)C[C@@H](C)c1ccccc1	308011918	CGGVJCPJXGMBPQ-BFYDXBDKSA-N	248.410	4.613	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CC(CC)CC	308032870	PXPSUSXDJVPXRZ-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(O)CCCC(C)(C)C	309992158	RXIPKHWXFRWMRR-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CCNC(C)(C)C)CCC1CCCCC1	310069965	UAHHDVGKLIVHAD-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCC[C@@H](C)C1CCCCC1)C(C)C	310119655	AJEDVPIUUYZHBO-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCNCC[C@H](C)CC1CCC(C)(C)CC1	310535082	QYHOGKDUNBVYNT-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC)CC1CCC(C)CC1	310543163	UEDDDZZAZYSGGQ-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1	315163985	LXYKCTYPHKBGKX-YHUYYLMFSA-N	243.394	4.540	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](CC)C1CCC1	322563065	RKZAYQGHUMLNKK-DZGCQCFKSA-N	225.420	4.514	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)c(Cl)c1)C1CCC1	379078081	UANVZVZZSUWRAU-MRVPVSSYSA-N	244.165	4.594	0	10	BJAE	
Clc1cccc2c1ccn2[C@H]1C[C@H]2CC[C@H]1C2	379823782	ZZEYGRWCKNHQIC-PGUXBMHVSA-N	245.753	4.656	0	10	BJAE	
CCCC1(N[C@@H]2CCCC[C@H]2CC)CCCC1	382252356	FCXBIWFNXLSOAP-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CC(C)CCCCC[C@H]1C[C@@H](C)CCC1=O	383384868	NCTRTVBHFYNFHM-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H](C)c1ccccc1	383473014	CVAUFPYVMBQUCE-RDJZCZTQSA-N	248.410	4.758	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CCC1CCCCC1	384959231	HCDXOTXQRKYEQW-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC(C)(C)C)N[C@H]1CCC12CCCCC2	385117668	JTTNCOZLYRTSOZ-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](c1cocc1C)C1(C)CCCCC1	385429525	DPHBPKPIHHQMIR-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC[C@H]1CCCC1(C)C	389001433	QRVUNKBFCODTKC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(Cl)c(N[C@H]2CC[C@@H]2C)cc1Cl	389656800	ZEYYPDALXHWKFG-CPCISQLKSA-N	244.165	4.512	0	10	BJAE	
Cc1ccc(Cl)cc1-c1cccc(F)c1F	393832545	FEDVNHNTUQPUAB-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CC[C@H]1CCC[C@H](CCCCNC(C)(C)C)C1	394621709	MGMLOESPZRBYCG-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
COc1ccc(C(F)F)c2cc(Cl)sc12	396284529	CHWNYNVHWNJOSQ-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
COc1cc(Cl)cc2cc(C(F)F)sc12	396294595	SGHIGFMHIZCWRL-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CSc1c(C(F)F)ccc2c(C)csc12	396401985	GFBZWPSRHXOORM-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CSc1cc2cc(C)sc2cc1C(F)F	396404817	JZVFMVMNUZBZKU-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CSc1c(C(F)F)sc2c(C)cccc12	396412039	UYPBEUGVUWAEJT-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@@H](Nc1cccc(C)c1C)[C@@H]1CC1(C)C	397608239	NHHYSEKVKNRKSO-GOEBONIOSA-N	245.410	4.930	0	10	BJAE	
CCc1ccc(N[C@H](C)CC2CCCC2)cc1	689788671	JCKXXTSQBCURRW-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CCNC[C@H](CCC(C)(C)CC)C1CCCC1	696676696	DVSDNDJTBJXOTE-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CCCCC[C@H]1C	696725753	FUWMEUQEIZCCOP-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O	697629760	LQPWKIARUQMQFF-RBSFLKMASA-N	238.415	4.556	0	10	BJAE	
C[C@@H]1CC[C@@](C)([C@@H](N)C2=CCCCCC2)C1(C)C	699015218	VCAYUHCSLMPCMW-KMFMINBZSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H]([C@@H]1CC[C@H](CC)C1)C(C)(C)CC	701100044	UJRLEBYFDAQSFC-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](NC)C1CCCCCCC1	701133204	YNIVAJQACRDRFS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1ccccc1C(C)(C)C	701136245	NYERJMWVSFOLHE-OAHLLOKOSA-N	247.426	4.681	0	10	BJAE	
CCCNC[C@H]1CCCCC[C@@H]1C(C)(C)CC	701136496	JBMNVGLMGIOSFK-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@@H]2CCCC(C)(C)CC2)C1	704898984	ZECRPIVWXVYJGQ-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
N[C@]1(CCC2CCCCC2)CCC12CCCCC2	705261707	NKELLKOFPASSKQ-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H](C)c1ccc(NC2CC(SC)C2)cc1	706854754	DKQPDIRMOCBGAW-VCANKDNSSA-N	249.423	4.506	0	10	BJAE	
C[C@@H](COc1cccc(Cl)c1)CC(C)(C)C	709109591	KSEKFQUMJZKBNJ-LLVKDONJSA-N	240.774	4.791	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)c1ccsc1Cl	709121344	CFKWDQOXLIAABT-MRVPVSSYSA-N	244.787	4.657	0	10	BJAE	
C[C@@H]1c2[nH]c([C@H](C)CC(C)(C)C)nc2CC[C@H]1C	709272548	LLOMVMZQIUKXBG-UTUOFQBUSA-N	248.414	4.635	0	10	BJAE	
CCC(CC)CC(=O)c1cccc(C(C)(C)C)c1	709462719	QHWXKQIFDZLFFW-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H]1C[C@H]2CC[C@H](C2)C1	710863000	FFVVEDRVSRPKOS-LLLHUVSDSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C[C@H](N)C12CCC(CC1)C2)C1CCCCC1	710979851	OHIYLHRVQZECKD-SMOLVSOFSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C(C)C)C(C)(C)CC	713167898	SEXSUKCFZHDXOW-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@](O)(CCCC(C)(F)F)C1CCCC1	718721596	ILPGDRYNXZKFBF-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)(C)C)C1(C)CCC1	720720644	ZJOCRRIAMGRGTQ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1N[C@H](CC)CC1CCCCC1	720990874	ZFCBCBRPMHTOKK-OAGGEKHMSA-N	237.431	4.514	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@H]3CCC[C@H]32)cc1	722076393	LSCDTSKMXHZWCJ-DJIMGWMZSA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CSc1ccc(F)cc1	1164453304	DHNVIQDSSRGVAY-NEPJUHHUSA-N	238.371	4.744	0	10	BJAE	
CCC[C@@H](C)CCNC[C@@H](C)C1CCCCC1	1207357930	SHDBFWHFFHQQDG-HUUCEWRRSA-N	239.447	4.619	0	10	BJAE	
CCCCC1(NCc2cccc(C(C)C)c2)CC1	1308143532	NJEMCKDPSYRFIF-UHFFFAOYSA-N	245.410	4.622	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](NC[C@@H]2CCC=CCCC2)C1	1308545296	CLQVFRLSWZNKEM-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N(C)C[C@@H]2CCCC(C)(C)C2)cc1	1308674664	MCPYYVOFLKULIR-OAHLLOKOSA-N	245.410	4.648	0	10	BJAE	
CCCN(Cc1ccccc1)[C@@H](C)[C@H](C)C(C)C	1889160983	FWJYOZBSLQSILP-CVEARBPZSA-N	247.426	4.579	0	10	BJAE	
CCC[C@H](C(=O)[C@H](C)[C@H](C)C(C)C)C(C)C	1901721433	SUQNDOXXTHEORS-MCIONIFRSA-N	226.404	4.556	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)C1(C)CCCCC1	1905373069	CCWILPHMAUNPSE-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C=C(C)CNC(C)(C)C	1911894856	RFSDOAHKQNUBHM-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(=C[C@H](C)CC(C)(C)C)C[C@H]1CCCCN1	1911978092	XZAMQQFHORKKGI-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C=CC=CCC[C@H](NCC)c1csc(C)c1C	1912064889	PBVMJNJGSLPWKS-HNNXBMFYSA-N	249.423	4.538	0	10	BJAE	
CC[C@H](C)c1csc(-c2ccc(C)c(C)c2)n1	1912995801	BKBWYEWVEPBSCE-JTQLQIEISA-N	245.391	4.940	0	10	BJAE	
CCCC=CCNc1ccc([C@H](C)CC)cc1	1914676894	VPTFWLDABOJMRI-CQSZACIVSA-N	231.383	4.968	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@]2(N)CCC3(CCCCC3)C2)C1	1915892205	JVSRSCNKSCZBTQ-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@@H](CC2CCC(C)(C)CC2)C(=O)C1	1916064567	APEMFIBDYOMSBX-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCc1ccc([C@](O)(CC)CCC=C(C)C)cc1	1920053494	ZVZADATYCXPEBN-KRWDZBQOSA-N	246.394	4.593	0	10	BJAE	
CC(C)[C@](N)(C[C@@H](C)C(C)(C)C)c1ccccc1	1920486171	HCQLPSQIVFLGII-RHSMWYFYSA-N	247.426	4.569	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@H]1C=CCCCC1	1925762405	BNEVQWVZIMFWHP-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
N[C@H](C[C@@H]1C=CCCCC1)C1CCCCCCC1	1925944954	HWQATOFYMLAACP-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@H]1C[C@H]1CC	1926172204	BTKPKTSVGCGGAO-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)CC1(C)CCCCC1	1940410862	VIXMKUHPVBZYHL-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](O)CC(C)(C)C1CCC(C(C)(C)C)CC1	1941154247	GVAMVTCVWUNXDJ-IYXRBSQSSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C(=O)c1cccc2ccsc12)C(C)C	1941266422	FPLZLAZIJGQUJX-LBPRGKRZSA-N	246.375	4.766	0	10	BJAE	
CCC(C)(C)C[C@H](CC1CCC=CCC1)NC	1941796492	FZRSUTBKOYRTFL-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC)CCC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944205844	VYCUOLHCLJOGOV-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC(C)C)C(C)(C)C(C)C	1944669352	YQFOVPYPMJRAPF-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CC(C)CCC[C@H](O)c1cccc2sccc12	1945970788	SJAJDMVBKRNFDQ-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CCCN[C@@H](C)C(C)=CC(C)(C)C1CCCC1	1946180809	JXRMOZYBEBTYQO-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCCCC12CCC2	1948453082	LPTYBOZYVBIKCJ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2cc3ccccc3s2)C1	1949505176	JDDGBSYADJLOCL-JQWIXIFHSA-N	244.359	4.520	0	10	BJAE	
O[C@H](CCCC1CCCCC1)CC1CCCC1	1949872028	WHEJWSIYTNSZHY-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
O=C(CC[C@H]1C=CCCC1)CC1CCCCC1	1949918121	RHDAVNMGRYGYTG-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1C[C@@H]2CCC[C@@H]2C1	1950295580	MTRAHUAHZRPNSL-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
C1CCC(CCCN[C@@H]2CC[C@H]3CCCC[C@@H]32)C1	1965869640	FOUQTWJOFPRWRJ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCCNC2CC[C@H]3C[C@@H]3CC2)CC1	1967833775	FKHKAVHYJRXIJX-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)NC[C@]1(C)C=CCCC1	1967836748	IYJCAXVVTYYJDV-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(N[C@H]2CC[C@H]2CC(C)C)c1C	1968249620	DMTVDYOBQLQUAA-HOCLYGCPSA-N	231.383	4.540	0	10	BJAE	
CCCCC1CC(Nc2ccccc2Cl)C1	1968256147	JHTCFNOXQGSQQC-UHFFFAOYSA-N	237.774	4.721	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)c1cccs1	1968429206	ATZSBPYFCWZXAL-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1CC(CC)(CC)C1	1968859244	MAVFAPUMCQULOH-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@@H](C)CC[C@H]1C)c1ccccc1	1969296535	MPJVGXCPNPSNIQ-XOSAIJSUSA-N	245.410	4.552	0	10	BJAE	
C[C@H](CC1CCCC1)Nc1ccc(CCF)cc1	1970101779	CMEMPQRHJZXDJQ-CYBMUJFWSA-N	249.373	4.579	0	10	BJAE	
CCCC[C@H](CCC)Nc1cccc(C2CC2)n1	1971390331	VUXJTWCUIKQCPW-AWEZNQCLSA-N	246.398	4.730	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CC(C)(C)CC[C@H]1C	1973164215	PKUHTJGRYWZHHL-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H](C)CCC(C)C	1986948750	RFEKSNUGKWVLAG-GJZGRUSLSA-N	227.436	4.616	0	10	BJAE	
CC[C@@H](C)[C@H](C)N(C)CC(CC)(CC)CC	1990886204	UCARBTOVHAVTON-KGLIPLIRSA-N	227.436	4.569	0	10	BJAE	
Cc1ccc(Cl)cc1-c1cc(=S)c(C)c[nH]1	1993669113	FGAIOYRYGAKNMX-UHFFFAOYSA-N	249.766	4.681	0	10	BJAE	
CC[C@@H]1CCCCN(C[C@@H](C)CC(C)(C)C)C1	1995745170	VNEYCOYCYILIAQ-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCCC(C)(C)[C@H](C[C@@H](C)CC(C)(C)C)NC	1996612841	LCWRWIXYUKJTIR-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)CCCC(C)C)CC1	1997117576	RYCLPDNELCDBAU-OWCLPIDISA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)c1cc(C)sc1C	2000385131	OJDKBUJRXKUKMS-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CCCC[C@@](C)(CNCC)C1CCCCCC1	2000503974	CRSCGNQUGOQUDR-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CCCCCC[C@H](C)NCC1(F)CCCCC1	2001386008	WTLPWQCJCBJANY-AWEZNQCLSA-N	243.410	4.607	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@@H]1[C@H]2CCCCC[C@H]21	2002761522	BZKUXIRVTGADSP-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC([C@@](C)(O)CC(C)(C)C)CC1	2002925773	UEMFNKAIGMXQIV-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H]2CC[C@H](C)CC2)C1	2003067041	MBSCDKJLPMBYDO-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@H](O)CC2(C)CCCC2)CCCCC1	2003178885	ITPQAPLZIZRYIT-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCC(CCC)CN[C@@H](C(C)C)C1CCC1	2004718357	LGGLWVFOAPXITN-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)[C@@](O)(CCCCCC(C)C)CCC1	2006966129	STFMHDQHJFKUOP-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)C1(C)CCC(C)CC1	2007697388	PEDZBMUOMTUSGK-FYRZTWFESA-N	239.447	4.617	0	10	BJAE	
CN[C@@H]1CCC(C)(C)CC[C@@H]1CCC(C)(C)C	2009405602	AJYROLFMCFISBG-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1(CC[C@@H]2CCCCCCCC[C@@H]2O)CC1	2009543604	HYBXFALMQPEECO-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCCCCC1CC(O)(C[C@@H]2CCC[C@@H]2C)C1	2009717539	KPBFJWCFLPHKQZ-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)C(C)(C)C	2010711776	DARQYFMUGDNYEZ-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)CN(C)C[C@H]1CCC[C@@H]1C	2011184591	TUPPKIFUVTWDDD-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@H](CCCC[C@H]1C[C@H]1C)C(C)(C)C	2011582772	CTAXTAFLLNQZPP-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@@H]1CCC1(C)C	2014862200	OBBXPSRQQAIUFQ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)CCC(C(C)C)C(C)C	2015347182	NJKGMPWBGZGNPA-ZBFHGGJFSA-N	241.463	4.704	0	10	BJAE	
CC(C)C(CC(=O)[C@@H](C)C1CCCC1)C(C)C	2015383086	ITHRGLGWKPMARX-ZDUSSCGKSA-N	238.415	4.700	0	10	BJAE	
C[C@H]([C@H](O)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017113716	DEBHVIVNCVIFLV-CHWSQXEVSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)C1(C(C)(C)C)CCC1	2017157943	CQKCFYWPYJUWKN-ZDUSSCGKSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)CC(C)=C(C)C)CC1	2017468852	OBWKIHOCHRIQPW-HZPDHXFCSA-N	237.431	4.633	0	10	BJAE	
CCC1CCC(C[C@](O)(CC)C(C)(C)C)CC1	2017651770	YDKGQHIOWFABCQ-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)C[C@@H](C)CC)CC1	2017728614	NLXOTQIYOKEBMV-YHUYYLMFSA-N	239.447	4.747	0	10	BJAE	
CC[C@@](CN)(C[C@H]1CC[C@H](CC)CC1)C(C)C	2017729013	RJVAGEKJYCMSTM-JYJNAYRXSA-N	239.447	4.604	0	10	BJAE	
CCC1CC(CN(C)CCCCCC(C)C)C1	2019343419	ZPXMBFWANVQMOQ-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H]1CCCN([C@@H](C)CCC(C)C)CC1	2019406083	BXFWGDALGSMRSK-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1CCC(C)(C)C1	2020970323	BDXIZJPTUWMCDA-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)c1nc2c(s1)CC[C@@H]1CCCC[C@H]21	2022993776	RNQAMVCSKVJOTO-QWRGUYRKSA-N	249.423	4.661	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1ccc(C2(C)CC2)cc1	2028612888	UBBWUBYICFZHGU-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CN[C@H](c1c(C)cc(C)cc1C)C(C)(C)C(C)C	2032347465	XIZLPKNGRFCHTP-MRXNPFEDSA-N	247.426	4.555	0	10	BJAE	
CC1(C)CC(CC(=O)C23CCC(CC2)C3(C)C)C1	2033435826	WNVDDJMWUJDZTE-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(CC[C@@H](CC)CCN)cc1	2034173234	ULNZHFPQYBWJDD-LSDHHAIUSA-N	247.426	4.508	0	10	BJAE	
Cc1ccc(F)c(N[C@@H]2CC[C@H]3CCCC[C@@H]32)c1	2034267116	YWIZNHZLXRRYAW-VNHYZAJKSA-N	247.357	4.515	0	10	BJAE	
CC(C)[C@H]1[C@@H](N[C@@H]2C=CCCCCC2)CC[C@H]1C	2035427616	DTPUDITZEGBYFL-WCXIOVBPSA-N	249.442	4.536	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CCCC[C@@]3(C)C2)C1	2036668845	VVVHVZKHZHXVMV-HMDCTGQHSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@H]1CCC[C@H](C)C1	2037051349	XZPITBVTPJLBPC-GRDNDAEWSA-N	245.410	4.636	0	10	BJAE	
CN[C@@H](CC1=CCCCCCC1)CC1CCCC1	2038107137	DGMNBGODZRYPGN-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1C)C1(CC)CCC1	2039718964	BKBQZDQNEFMIST-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCc1cccc(N[C@H](C)C23CCC(CC2)C3)c1	2039859759	ORVJPHNAWSVZHG-BZOOQXSSSA-N	243.394	4.630	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1NC[C@@]1(C)CC=CCC1	2042070134	QSTHVOQSXAYEDD-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(CC2(N)CCC3(CC2)CC3)C1	2043007496	SDFKNBCLXPQEJE-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C(=O)C[C@H]2CCC=CCCC2)CC1	2045312231	NEXXBSQNANIFLS-PCKAHOCUSA-N	248.410	4.908	0	10	BJAE	
CCCc1cccc([C@H](CCCC(C)C)NC)c1	2045641980	SOJKFHDCUNOWTN-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
C1=C[C@@H](NC2CCC3(CCCCC3)CC2)CCC1	2045668441	QTBBTWLRSWTSMO-OAHLLOKOSA-N	247.426	4.578	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C1(N)CC2(CCCCCC2)C1	2046229857	ITJQPLLECRZEKR-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CN([C@H]2CCCC(C)(C)C2)c2ccccc21	2046566248	RBZZMPCJCNQKKI-KBPBESRZSA-N	243.394	4.579	0	10	BJAE	
CC1(CNc2ccc(C3(C)CC3)cc2)CC=CC1	2047729415	PYTWRWAHDRJJPM-UHFFFAOYSA-N	241.378	4.506	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C[C@H]2CCC23CCC3)C1	2047935118	HABRWCXZZOQTAN-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048371955	UDFDCZUNULWVQT-QLPKVWCKSA-N	246.394	4.662	0	10	BJAE	
C[C@@H](NCC1=CCCCC1)[C@H]1CCCC(C)(C)C1	2049544374	SNJLMQNJZHVQGJ-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@]1(C[C@H]2CCC3(CC3)C2)CCCCCN1	2049863671	HPKCMWFBNQIUAB-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@]2(C)C=CCCC2)cc1	2050009607	NQOQLLLKCGIZNR-QGZVFWFLSA-N	242.362	4.739	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@H]1CC12CCCC2	2050459100	TVJMIIJNRAKZGZ-CQSZACIVSA-N	242.362	4.538	0	10	BJAE	
Cc1cccc([C@@H](N)CCCC2CCCCC2)c1	2050464569	OAYBQRIHTFFIEV-KRWDZBQOSA-N	245.410	4.745	0	10	BJAE	
CC(C)=CCC[C@H](CNC(C)C)c1ccccc1	2051405502	DRXFRCZUHLLYHZ-QGZVFWFLSA-N	245.410	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)[C@@H]2CCCCC23CC3)C1	2053416078	OKUKQPZANPHOPG-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@@H]1CCCCC12CC2	2053418687	AJWSDKYTCLPUFD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)CC1CC(C2CC2)C1)C1CCCCC1	2056668333	SFBXWDSVSCWDGL-FUJMWEONSA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)CC1CC(C(C)C)C1	2056669324	ILTBPQBBVQTJPG-ARAOSMHQSA-N	248.410	4.620	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CC[C@@]12CCCC(C)(C)C2	2058161022	PZZGIDHTJBAXEK-HLLBOEOZSA-N	249.442	4.610	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C1CC2(CCCCC2)C1	2059180202	IQSJFUAVKFQMRP-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H]1NCC[C@@]12CCCC21CCCCC1	2059463991	MIIAOMJEDMVBKT-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)C1CC(C)C1	2061091171	GYGXNRSPGVYCSB-AVVWSFFYSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@H](N)C2=CCC(C)(C)CC2)C1	2061095121	KZCVVIBCJIQERH-XNISGKROSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H]2CCCCC[C@@H]2N)CC1	2061149428	CRKKIMFUTAOWMP-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
CC(C)C1CCC(N)(CC[C@@]23CCC[C@@H]2C3)CC1	2061614079	CIVDPVXDFQFRQR-JCCCHCCOSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(NCC23CCC(CC2)CC3)cc1	2065299438	BMIDVYCCZXRZPC-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@H](C)c1ccccc1	2065987574	LNYOEJZKKJMWKU-RDJZCZTQSA-N	248.410	4.758	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@H](C2CC2)C1)C1(C)CCCC1	2067569735	HHGKTXNVBVPHCI-BPUTZDHNSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H]1CN[C@H]1CCC2(CCCCC2)C1	2068238472	FOAIAVOJCZJPJE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1CN[C@@H]1CCCC12CCCCC2	2068244982	PUIOCPYMNXNJJV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN(C)[C@@H]2CCCC3(CC3)C2)CCC1	2069283732	GBEQQDGDEJHDFQ-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C1(CC2CC2)CC1	2069518577	ZXODWVNVBFMVJK-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1C[C@H]2CC[C@H](C1)C2	2070415129	ZWPZQINLQOWMKL-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C=C2CCN[C@H]2C(C)(C)C)CC1	2072815206	KBQYDLZRICQNSD-IIAWOOMASA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@](O)(CC)c1ccccc1C1CC1	2073350953	QUCAEBAILLXPJZ-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
C1=C[C@H](N2CCC23CCCCCC3)CCCCC1	2074794564	LDXHUYNBYRQVBF-INIZCTEOSA-N	247.426	4.674	0	10	BJAE	
CN(C1CC(C(C)(C)C)C1)[C@H]1C=CCCCCC1	2074808616	GGKDRSVLMCNBAV-PCKAHOCUSA-N	249.442	4.632	0	10	BJAE	
CC[C@](N)(CCC=Cc1ccccc1)C(C)(C)C	2075830022	QDGGWBHCLURSEW-KRWDZBQOSA-N	245.410	4.634	0	10	BJAE	
CCCCN(C1CCCCC1)[C@@H]1CC[C@@H]2C[C@H]2C1	2076585792	JJUMOQXQGVWFLN-HLLBOEOZSA-N	249.442	4.610	0	10	BJAE	
CCN(C[C@@H]1C=CCCCC1)[C@H]1CCCC1(C)C	2078715881	CWFOYXQYBILPMX-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](C(C)=C(C)C)[C@H]1C[C@@H]1C1CCCCCC1	2079524628	WPENSGQWLJGKIF-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2C[C@H]2C(C)(C)C)c1	2079618720	HERNISJBCRGJSP-GOEBONIOSA-N	245.410	4.904	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)[C@@H]1CCCCC12CCC2	2079633984	QQTHBHIQQIYMNK-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@H]1C[C@@H]1C1CCCCC1)CNC(C)(C)C	2079662179	TXGBSDJPUJRRHX-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)C[C@H]1C[C@@H]1C1CCCCC1	2079864925	NKVAXMBFXAFOBD-CKEIUWERSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1[C@H](C)Nc1ccc(F)cc1	2081220651	YTAPZLPZXIJSGB-LBPRGKRZSA-N	243.325	4.561	0	10	BJAE	
CCc1cc(F)ccc1NCCC1=CCCCC1	2081947364	RMVIOQKKYASHQI-UHFFFAOYSA-N	247.357	4.691	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)CCCC(C)(C)C)c1	2082930300	PIJXKFPEDMKJDM-INIZCTEOSA-N	247.426	4.828	0	10	BJAE	
CCc1ccccc1OC[C@H]1CCCC(C)(C)C1	2082975874	MRTWWGURTBFOPM-AWEZNQCLSA-N	246.394	4.844	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1ccc(CC)cc1	2086053128	IRPJDEJQZNJCJL-PBHICJAKSA-N	247.426	4.855	0	10	BJAE	
CCCC(CCC)C(=O)c1scc(C)c1C	2210561298	TTXREGPTIZMERJ-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CC[C@@H](C)NCC(CC)(CC)C[Si](C)(C)C	2212596684	KEEPNIFDHMTMRK-CYBMUJFWSA-N	243.511	4.519	0	10	BJAE	
C[C@@H](CCCCCCC1CC1)[C@@H]1CCCCN1	2213571107	DIBUTQLBAKJIGO-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CCCCC2CC2)C1	2214562883	LVPGJEORNYEVGL-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC[C@@H]2C[C@H]2CC)CC1	2215236507	KCMXLZRHPUBZLM-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@](C)(O)CC1(C)CC2(CCC2)C1	2215468293	YRUYXUHOFXLUQS-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)CCC[C@@H](C(C)(C)C)C1	2216247430	MCNWQZAHLRHLFW-AYDFFVQHSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)N(C)[C@H]1CCC[C@@H](C(C)(C)C)C1	2216259328	SVYDTTJYNANMJE-ZNMIVQPWSA-N	239.447	4.712	0	10	BJAE	
CC1([C@@](C)(O)CCCCC(F)F)CCCCC1	2216456439	HRLGGHYWYIXTCP-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
CC(C)(C)C(=O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216747984	RSWKQNBLXGJXGA-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218323578	XCRZNCBIAXSUPY-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CNC[C@@]1(CCCCCCC2CC2)CC=CCC1	2218727982	XFKYJVLNVXIKFQ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
O=C(CCCCC1CC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2220013476	MYTULHIHNJFXST-ZSHCYNCHSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@](C)(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2221596325	BOZRBXGHOBYTPN-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)c1c(C)cccc1C	2222013703	KUMJCWCYDKCVKJ-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@@H]2CCCC23CC3)C1	2222254207	AWTZSCXSLKCKQS-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
C(CCCN[C@H]1CC[C@H]2C[C@@H]1C2)CCCC1CC1	2223175544	YZWVLHCXPKRYGR-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@H](C)Nc1c(C)cc(O)cc1C	2223330217	ASWKBLAPYWNBMP-AWEZNQCLSA-N	249.398	4.780	0	10	BJAE	
CCCN[C@@H](c1cccs1)[C@H](CC)CCC	2244776176	VRULIMUQXYVMTK-TZMCWYRMSA-N	239.428	4.615	0	10	BJAE	
CC=CCCCCc1ccc(C)c(F)c1F	2245297977	ZOEYPSFZPHRUOW-UHFFFAOYSA-N	224.294	4.562	0	10	BJAE	
Cc1ccn([C@@H]2CC(C)(C)CCC2(C)C)c1	2245468423	SQVGRQXSTYXNMY-CYBMUJFWSA-N	219.372	4.574	0	10	BJAE	
Cc1cccc2c1N[C@@H](CCCC(C)C)CC2	2246638402	UZIMYQNKZPAXTD-HNNXBMFYSA-N	231.383	4.548	0	10	BJAE	
CCC[C@H](CC[C@@H]1CCC[C@@H](C)C1)CNCC	2246671372	XITDAOFZSHWTEI-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@@H](C)C1)[C@@H](C)CC	2246728648	RBELDDWIGBPVHO-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(CC[C@H]2CCC[C@H](C)C2)CCCN1	2246729898	UXTALGXAVBJNRQ-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(O)CCC(C)(C)CC1	2247116686	AWFROWKNFIIJDB-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC[C@H]1CCCC12CC2	2250358784	AUQMRNPOGMRUIG-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CNC[C@H](C)[C@H](C)CC[C@H](C)CCCC(C)C	2250468466	DKCAYDLTBVBIRJ-OAGGEKHMSA-N	241.463	4.721	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@]12CCCC[C@@H]1CC2	2251182698	WFRAPBMJZLRSGB-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2251188103	QBZJYAVXRDFBDY-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C(=O)c1ccc2ccsc2c1)C(C)(C)C	2253132829	IBASGHKBAQROTD-JTQLQIEISA-N	246.375	4.766	0	10	BJAE	
CC1CCC(C(=O)C[C@H]2CCCCC23CC3)CC1	2253785031	VGCFKQGSEWLUHQ-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC1=C[C@@](N)(CC[C@H]2CCCCC23CC3)CCC1	2253840999	UXSKCJJUJGEEPJ-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC1CC([C@@](C)(N)CC[C@H]2CCCCC23CC3)C1	2253854260	MMONFYGJEFOFRS-KNIAUWFNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)CC[C@@H]1CCCCC12CC2	2253854929	MXBGUNZEJNPOOK-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC[C@@H]1CCC[C@@H](C)C1)c1cccc(N)c1	2253972153	WJKQKWXFKTYDHL-ILXRZTDVSA-N	245.410	4.979	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CC2CC3(CCCC3)C2)C1	2254105499	HEXKMGMFHPGSMJ-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(NCCCC[C@H]2C[C@@H]2C)ccc1F	2254543464	LMHRFKIWZJGMAU-JSGCOSHPSA-N	249.373	4.626	0	10	BJAE	
O=C(CC1=CCCCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2255138116	XZKLFAJESMNSLH-MUJYYYPQSA-N	246.394	4.662	0	10	BJAE	
CCC1CCC(N)(CC[C@@H]2CCCC23CC3)CC1	2255331473	QBFNJGJJHIFNCF-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C1CC2(CCC2)C1	2257315208	JXMKHUDYXGVREV-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
Cc1c(F)cccc1NCCCCC[C@H]1C[C@H]1C	2257337959	GRGDCCJPJUJLKI-OCCSQVGLSA-N	249.373	4.762	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cccc(C(C)(C)C)c1	2257908066	NNHRQLFWDSFCDC-BBRMVZONSA-N	245.410	4.975	0	10	BJAE	
Cc1cc(NC[C@H]2CC[C@H](C)CC2)cc(C)c1C	2258241630	VWYULMMOWQKABT-YGUOUDRMSA-N	245.410	4.850	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC1CC(=C2CCC2)C1)NC	2259447436	MYUBAMMCLLBGIP-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)[C@]12CCCC[C@@H]1CC2	2260509581	WHWJGIXCSYPGIT-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CC(=O)C[C@@]12CCCC[C@@H]1CC2)C1CC1	2260582088	HSXVZPWPDAKQDB-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](C[C@]12CCCC[C@@H]1CC2)C1(C)CCCC1	2260583733	QIBSFNNRMZWRRY-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(CN)(C[C@@]23CCC[C@H]2CC3)CC1	2260650462	DMJKNGIOMRMZOF-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@]12CCC[C@H]1CC2	2260669743	IWFZPIRLHOXGKN-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(C[C@@]23CCC[C@H]2C3)C1	2261386949	UQWJVYQORREPNF-RRQGHBQHSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@@H](C)CC1CCC1	2298852806	SBKTVQRERCNSIM-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)[C@H](C)CC1CCC1	2298869440	KMWIZWWRFJJCIU-ZBFHGGJFSA-N	239.447	4.712	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)c1csc(C2CC2)c1	2298872293	YRFBRJBBWKJUCT-SNVBAGLBSA-N	248.391	4.635	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H](C)CC1CCC1	2298880107	ZJWNTQQXFMSAJC-YUELXQCFSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1CCCC[C@@H]1CC	2300683314	IEPUFEPDEJPCNK-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1NC1CCCCCCCCC1	2300944189	FHBLOJWDQJOGIG-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@]1(CN)CC1CCCCCC1	2301144876	IOBVIXZCDODXRX-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)CC1(C)CCCCC1	2301696597	ANCMWIMYKPCDBR-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@H](C[C@H](C)[C@H](C)C(C)C)C(C)(C)C	2301833883	UVIXJPYXPDKJLT-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@H]2C[C@H]1C2(C)C	2302885098	MFUPMZNXXLGVKM-YNEHKIRRSA-N	249.423	4.547	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@H]1CC[C@H]1C(C)(C)C	2303473803	FAOGNYVMDKWDNK-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
Clc1cc([C@H]2CC23CCC3)nc2ccccc12	2304046115	MUKYCSMKYMOONU-LLVKDONJSA-N	243.737	4.546	0	10	BJAE	
CCC(C)=CCc1ccc(CC(F)(F)F)cc1	2307646085	PPRDLUTYYCAMBY-UHFFFAOYSA-N	242.284	4.690	0	10	BJAE	
CCC[C@@H](CC)CN1CCCC[C@@H](CCC)C1	2307749170	HPQVHHAAKMFMCX-HZPDHXFCSA-N	239.447	4.715	0	10	BJAE	
CCC[C@@H](CC)CN(C)CC(CC)(CC)CC	2307763838	QHMPLPNNQHPUAS-OAHLLOKOSA-N	241.463	4.961	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@@H](CC)CC[C@H]1NC	2307900136	FIAYUJYZBHPNES-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC[C@H](C)[C@H]1NCC	2307902605	LWDLPBVFIKCDFD-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC[C@@H]1C[C@H]1C)[C@@]1(C)CC=CCC1	2310430817	CHCAOCZHIWTOIK-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C[C@@]23CCCC[C@@H]2C3)C1	2311147567	IXQONTORYLQIQX-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@]23CCCC[C@@H]2C3)CC1	2311163685	QUFLFSNCDDSBEY-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](C=C1CCC1)[C@@]1(C)CC[C@@H](C)C1(C)C	2311651104	YSGCVQKXJWUHCO-UKPHBRMFSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(N)(CC1CC1)CC1CC1	2315440477	UEGSPNHWPBPGLS-HOTGVXAUSA-N	249.442	4.501	0	10	BJAE	
CC(=CC=C(C)[C@@H]1CCCNC1)CCCC(C)C	2316567330	HGYAWWUVHNWPJS-QGZVFWFLSA-N	249.442	4.705	0	10	BJAE	
CC1(C[C@@H](N)CCCC2=CCCCC2)CCCC1	2318582514	DNEPTVDTMZSWIU-INIZCTEOSA-N	249.442	4.955	0	10	BJAE	
O=C(CCCCC1CC1)C[C@@H]1C[C@@H]1C1CCCC1	2318873707	RQWXEPDTYGKGOC-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H](N[C@H]1CCCC[C@@H]2C[C@H]12)C1CCCC1	2319753740	DSQPEOQDDKQWHQ-TWMKSMIVSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2320178490	PDYSCASDKWJAJP-VMUDFCTBSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](CC2(N)CC3(CCCC3)C2)CC1	2320340154	JSYFGNOFEOXSDZ-HNNXBMFYSA-N	247.426	4.565	0	10	BJAE	
CC1=C(C)C[C@H](COc2cccc(C)c2C)CC1	2320388350	PHVVJIYOKSHQQM-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CC[C@@H]2CC2(C)C)CC1	2320390366	JLJOYTNYQSFBRX-BZUAXINKSA-N	249.442	4.667	0	10	BJAE	
C1CCCCCC(NCC2CC2)CCCCC1	20021677	DCKVIKRIEPWCLP-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1cc(F)ccc1F	21055820	LLACCLMPKORUGF-JQWIXIFHSA-N	241.325	4.592	0	10	BJAE	
CC(C)(C)CCC(=O)C12CC3CC(CC(C3)C1)C2	55270322	ZUCFYRIFEMAZSB-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccc2ccccc2c1	70103224	XBLDBXPWECYBOZ-INIZCTEOSA-N	239.362	4.830	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@@H](C)CCC	71127885	XBUOATNKYGDVOE-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CCCCC[C@H](CC)NCc1ccc(CC)cc1	75423407	FMAUWHIEJHGOSA-KRWDZBQOSA-N	247.426	4.698	0	10	BJAE	
CCc1cccc(N[C@H]2CCC[C@@H](C3CC3)C2)c1	81624301	IIFUNTGRHNGMPE-WBVHZDCISA-N	243.394	4.630	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCC[C@H](C3CC3)C2)c1	81624392	ZVFRRWQNJAFXJT-HOTGVXAUSA-N	243.394	4.684	0	10	BJAE	
CCC[C@H](C)N[C@H]1CCC[C@H](C(C)(C)C)CC1	86954094	UPPPNYHLTYLVSQ-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCC(CC)[C@@]1(N)CCC[C@@H](C(C)(C)C)CC1	94676223	JTTVTWYURWIYCZ-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)C[C@@H]1C[C@H](C)Nc2ccccc21	94677435	KODGYKZKHRVZQQ-JSGCOSHPSA-N	231.383	4.801	0	10	BJAE	
CC/C=C\C[C@@H](C)c1ccc(SC)cc1	107605784	XKTYQNSRJSVJSA-FOQNGQEVSA-N	220.381	4.868	0	10	BJAE	
CCCCCCNc1cccc2ccc(C)nc12	109960387	HDZJPCIFINUREO-UHFFFAOYSA-N	242.366	4.535	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)[C@H](N)CC(C)(C)CC2	110269452	XMVRCLAWLFBLOC-BLLLJJGKSA-N	245.410	4.562	0	10	BJAE	
CCCCCCC(=O)c1cc2cccc(C)c2o1	125933817	OXNCUPJBOVNVDT-UHFFFAOYSA-N	244.334	4.894	0	10	BJAE	
CCCC1CCC(c2ncc(C)s2)CC1	132103629	YURKYBIQAFPCJT-UHFFFAOYSA-N	223.385	4.525	0	10	BJAE	
CCCCCCN[C@@H]1CC[C@H](C)c2ccccc21	136955111	PNEKYIMGKMTHSG-WMLDXEAASA-N	245.410	4.795	0	10	BJAE	
CCC(C)(C)COc1ccc(C(C)C)cc1	148199278	UPDCRMCFQRWQIZ-UHFFFAOYSA-N	220.356	4.625	0	10	BJAE	
CC(C)(C)C[C@@H](CNC(C)(C)C)c1ccccc1	155731881	UBBGWMJYFNGBSH-HNNXBMFYSA-N	247.426	4.595	0	10	BJAE	
C[C@H]1CC(C(=O)CC2=CCCCC2)C[C@H](C)C1	161032693	WWMYFQNQDFEHKX-CHWSQXEVSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)c1cccc(C)c1C	162369205	JBNCNRDJVXFUTD-GUYCJALGSA-N	247.426	4.780	0	10	BJAE	
CCSc1ccccc1N[C@@H]1CCC[C@@H]1CC	164042273	OEMCSTIHQBRSFL-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)c1ccc(C)c(C)c1	166779537	IBIYPSGRMSRCSY-DJIMGWMZSA-N	245.410	4.520	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C2CCCCCC2)C1	167551966	MXJWUXJYNUZYPY-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](c1cccc(C2CCC2)c1)C(C)C	169029266	BTNSLQFYBWTJDH-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CC1(C)CCC([C@@H](N)CC2CCCCC2)CC1	203528456	KYNKYOFIRNOSOM-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(NC/C(Cl)=C\Cl)c1	211250622	HFMYAHZPVXHUDX-YRNVUSSQSA-N	244.165	4.541	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCC[C@@H]1C	225982813	YQIOHOVEWOGTSC-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@@H](c1ccco1)[C@@H]1CCCCC1(C)C	226563084	ANPBVTCNSZSFPP-DZGCQCFKSA-N	249.398	4.537	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2C[C@H](C)CC[C@H]2C)c(C)c1	227028842	PNHDZVGFNUIMMY-AXAPSJFSSA-N	245.410	4.848	0	10	BJAE	
CCN[C@H]1C[C@@H]2CCCCCCCCCC[C@H]21	227349201	WIIMFZBZHFZTGR-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCN[C@H](CC(C)(C)C)c1ccccc1	228846492	URRCVMUOCKQXNC-MRXNPFEDSA-N	245.410	4.720	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](O)(C2CCCCC2)C1	230784155	MMWRDHHARWZHIT-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](c1cc(C)cc(C)c1)C1(C)CCCCC1	234416649	KFEIIBFNKMLXMD-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc2c(c1)[C@@H]([C@H](C)C1CCCCC1)CN2	235398183	QGWCWQZFWNCPKT-CZUORRHYSA-N	243.394	4.721	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2C[C@H]3CC[C@H]2C3)n1	252850515	HOPLPBMVOPCWBZ-BJDJZHNGSA-N	235.396	4.560	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H]2CCNc3ccccc32)C1	300117339	SWJHNGYPLHMMCZ-RBSFLKMASA-N	243.394	4.802	0	10	BJAE	
CCC[C@H](NC[C@H]1CCC[C@H]1C)c1ccccc1	300310193	RWNUXWJLCMTEJB-OIISXLGYSA-N	245.410	4.554	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1cc2ccccc2o1	302246960	AVZAPQJRJVYVRH-CYBMUJFWSA-N	246.350	4.683	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@@H](O)CCC1CCCC1	302296953	YROLLYGUQOEOGL-IRXDYDNUSA-N	246.394	4.512	0	10	BJAE	
CN[C@H](c1ccccc1)[C@@H](C)CCCC(C)(C)C	302317758	PYXOXZFIBQICER-HOCLYGCPSA-N	247.426	4.800	0	10	BJAE	
CCc1ccc(NC[C@H](C)CC(C)C)cc1C	302343489	VDHQWEWQPNUBQV-CYBMUJFWSA-N	233.399	4.652	0	10	BJAE	
CSc1cc(Cl)c2cc(C)sc2c1	307472984	UQPSDNPQJLMEDL-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CCC1CCCC1	308031671	OUILNWPUYHRJCI-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)c1sccc1Cl	309085162	WKDRBPXLWNCMPH-SNVBAGLBSA-N	246.803	4.507	0	10	BJAE	
CCN[C@H](CCC1CCC(C)CC1)CC(C)C	310419111	NRMZSCRFBMZVGQ-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(C1CCCCCC1)C1CCCC1	313475973	SYAMTNKHWYFHPP-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)NC[C@]1(CCC2CCCC2)CC=CCC1	317297980	MDOZCGOHPRBJNW-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H](C)C(C)C)cc1	319547305	IXWMMYMEIDXSQC-STQMWFEESA-N	220.356	4.623	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](CNC1CC1)C1=CCCCC1	320057567	VRFCGNSZSULFQB-ZQIUZPCESA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C(C)(C)C2CCC2)C1	322901284	CSQVAZCNHLFQMS-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@](C)(O)CC/C=C\c1ccccc1	323570995	AIGYXULUEPYZEA-CGICMKJESA-N	246.394	4.667	0	10	BJAE	
CC[C@H](N[C@H](CC)C1CCC1)c1cccc(C)c1	324872242	CCWKRCMYLSNHKJ-SJORKVTESA-N	245.410	4.614	0	10	BJAE	
CC1CCC(CC2(O)CCC(C)(C)CC2)CC1	379992012	UGCUKMFCOQNCNH-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCN[C@H]1CCC[C@H](C)CC1	383245290	JJNZAKBQOXBFOC-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H]1CCC[C@@H](C)C1	383966904	YAVDTNMWCQVPBK-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@H]1NCCC1CCCCCC1	394552274	AXTAAPZZIJZLLG-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(F)cc1NCCC1CCCCCC1	394618144	KIBOESJHUHKRHQ-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H]1CCCC[C@H]1C	395042580	NXWAVWGVHVILAT-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
CSc1c(F)cc2ccsc2c1C(F)F	396260616	ZIVRIXOCMNZZOB-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
C[C@@H](CN[C@H]1CCCC12CCCCC2)C1CCC1	398944972	XWCIRYGCLFOQRO-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H](O)C[C@@H]1CC=CCC1)CC(C)(C)C	402127578	DRWIPLAPSGCCAG-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](CCCC1CC1)C[C@@H](C)C(C)(C)C	405752504	SGCQFNRPNXCFQU-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@@H](C)c1ccco1	691098082	HXHJYFQREUYQJA-SOUVJXGZSA-N	249.398	4.535	0	10	BJAE	
Fc1ccc(Cl)c(CC2CCCCC2)c1	694974777	YXICSMPAABNFFJ-UHFFFAOYSA-N	226.722	4.602	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1csc(Cl)c1	696546056	NHXNLBOCAHDYNI-JTQLQIEISA-N	245.819	4.618	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CCC[C@H](C)C1	696593370	LUKAQUPBCKPMJJ-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CNC(C)(C)C)C1CCCCC1	696818800	WAVOUGCIUZMHAM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1cccc(C(=O)C2(C)CCCCC2)c1	701568505	UIJYKPDJDZBVHK-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@]1(N)CCCCC12CCCC2	704509983	UEMIFRQHMWOORU-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc([C@](C)(N)C2CCCCC2)c1	704878667	DLFPLMWOYMGMOK-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCC1CCC([C@@]2(N)CCCCC[C@H]2C)CC1	704928445	LZBZHEKPZQPAFQ-PRLABOORSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](C1CCCCCC1)[C@H]1CCCC2(CC2)C1	710139066	HJWVCNJTPOGUBE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@H](CN)C1CCCCCC1)C(C)(C)C	711211240	WEPJBYKPNHIOAI-DZGCQCFKSA-N	239.447	4.604	0	10	BJAE	
C=C/C=C\CCC1(CNC2CC2)CCCCCC1	713725930	NUUKLFAKWTZPHL-ARJAWSKDSA-N	247.426	4.601	0	10	BJAE	
CCC[C@]1(CCC(C)=C(C)C)CCCCCN1	718654939	VXFKZSWIQMZTEN-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CC(C)=C(C)CCCCc1ccsc1	718748326	PFTCNFOCLNJMHI-UHFFFAOYSA-N	208.370	4.817	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@H]1C[C@@H]1CC	723128203	UXKAWIOLPMMYCO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCCC3(CC3)C2)c(C)c1	723569609	SEBYMITWPFEJMB-HNNXBMFYSA-N	243.394	4.747	0	10	BJAE	
CCCC(CCC)NCC1(C)CCCCCC1	1205076614	DHQXUPNCWNNTHU-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
O=C(CC1=CCCCCCC1)c1cccs1	1250304230	BFGKSQNLAYYWSL-UHFFFAOYSA-N	234.364	4.602	0	10	BJAE	
CCC[C@@H](CC)S[C@@H](C)CC(C)C	1459060952	GGYIQLPKTOOOCK-NWDGAFQWSA-N	202.407	4.733	0	10	BJAE	
C=C/C=C/CCN1CCCC[C@H]1CCCCC	1460489896	WOJDCKFKOUGTIX-BIENSFFJSA-N	235.415	4.554	0	10	BJAE	
CC[C@@H](C)[C@H](C)SCc1cc(C)cc(C)c1	1472999787	DTCVNCXIHPUBMR-KGLIPLIRSA-N	236.424	4.971	0	10	BJAE	
CCCCN(C[C@@H]1CC=CCC1)C1CCCCC1	1658198453	YFYODEFWCMCCQY-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1C[C@@H]2CCC[C@H]21	1660193576	IIIYTVLVGZGDLL-YLFCFFPRSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC(CC)CC)NC	1900695184	FLZDJVPPHZFVQS-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CCC(C)(C)C1	1900698030	SITVCKDNASNOJB-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)CC[C@H](N)c1sc(C)cc1C	1900699563	BJXVWSFUYCPLIY-ZDUSSCGKSA-N	239.428	4.581	0	10	BJAE	
Cc1cc(Cl)cc(O[C@@H](C)[C@@H](C)C(C)C)c1	1901616761	KKRHQIAENDBLMG-RYUDHWBXSA-N	240.774	4.708	0	10	BJAE	
CC[C@H](c1nc(CC2CCC2)cs1)C(C)C	1901911456	GBXDIGBLNBTJMZ-ZDUSSCGKSA-N	237.412	4.635	0	10	BJAE	
CCC[C@@H](CC)COc1ccc(Cl)cc1C	1905300553	IKMQQGVDGUTWCV-GFCCVEGCSA-N	240.774	4.854	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1CCCC1(C)C	1905301322	KKVYZJSEOGBGIL-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCC[C@@H]1CC	1905364582	COZKTAURJCXPOA-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CCC[C@@H]1CCC	1905381572	LARNRAVOPKLKTE-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1CC(C)(CC)C1	1905448539	IMZLYTAHIWDWBF-DNOWBOINSA-N	224.388	4.598	0	10	BJAE	
CC=CC[C@H](CC)c1ccc(OC)cc1Cl	1911826285	BMNDQGIFBBTPGE-NSHDSACASA-N	238.758	4.808	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CCCC(C)(C)C	1919950624	YJOIALVGRNOYMB-UKRRQHHQSA-N	228.420	4.780	0	10	BJAE	
CC(C)=CCC[C@H](O)[C@H](c1ccccc1)C(C)C	1921292102	LFEBVRIIBXIPON-IRXDYDNUSA-N	246.394	4.534	0	10	BJAE	
C[C@H](C1CCCCC1)[C@H](N)CC1CCCCC1	1924126005	PCXAPQPNYMXRAF-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CNCC1(C[C@H]2C=CCCCC2)CCC(C)CC1	1925801475	CVABHQQNLSQGDY-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CC[C@H](NC)[C@H](C[C@H]2C=CCCCC2)C1	1925892447	SHHSAPPDGMFWIY-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
O[C@]1(C[C@H]2C=CCCCC2)CCCCC12CCC2	1925918160	RIGGHMQVRQHSLT-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCCC1)C1CC(C)(C)C1	1925936515	UUYPOMIUWFXNQN-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCNc1ccc(C)cc1Cl	1926132757	LMKKBMJNQOHTAW-UHFFFAOYSA-N	239.790	4.887	0	10	BJAE	
C1=C[C@@H](C[C@H]2CCC3(CCCC3)C2)CC1	1934208566	DIPCBIJRXLAAIS-ZIAGYGMSSA-N	204.357	4.703	0	10	BJAE	
C[C@H](CCNC(C)(C)C)CC1(C)CCCCC1	1940409659	OYHFGVBUGIGLPO-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@@H](O)CC[C@H]1CC1(C)C)CC(C)(C)C	1940863068	KPCUODXUMBGTCD-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](O)CCC1CCC(C(C)(C)C)CC1	1941153237	CLXYDZWIDMPWID-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CC1(C)CCC1)NCC	1941263011	LMYREMYYICUKFY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C(=O)C[C@H](CC)CC(F)F)C(C)C	1941274245	YMFVJSLZKWGOFH-RYUDHWBXSA-N	248.357	4.699	0	10	BJAE	
C[C@@](O)(CCCCCC1CC1)CC1CCCC1	1941579797	RTJFVEFMMQQEAG-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C(=O)CCCCCC1CC1)C(C)C	1941580461	AEUWSVPGQOQBHP-HNNXBMFYSA-N	238.415	4.988	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1CC[C@@H](F)C1)CC(C)(C)C	1945193789	HGAKLXIYZQFYOB-JHJVBQTASA-N	242.378	4.546	0	10	BJAE	
CC(C)C[C@@H](C(=O)C[C@@H]1C=CCCC1)C(C)C	1947558437	JOJZXNQLJYXAMS-HUUCEWRRSA-N	236.399	4.620	0	10	BJAE	
CCC(C)(CC)C1(O)C[C@H]2CCCCC[C@@H]2C1	1947855456	IUQMRTPVTOATCH-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)c1nc2c(s1)[C@H]1CCCCC[C@@H]1C2	1947860917	XIGJSTGLLWSWQW-MNOVXSKESA-N	249.423	4.661	0	10	BJAE	
CC(C)C[C@@H](C)C1(O)CCCCCCCCC1	1947878425	ICMLIIPKBQXRBK-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@](N)(C1=CCCCCCC1)C1CCC1	1948955385	UPVNCNSOBBBYMB-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCCCC[C@@](C)(N)c1cccc(C(C)C)c1	1949014104	YCSULBUKZLGGEX-MRXNPFEDSA-N	233.399	4.564	0	10	BJAE	
NC1(CCCC(F)F)CCCCCCCCC1	1949026933	RZXXBKFSBCVIOD-UHFFFAOYSA-N	247.373	4.644	0	10	BJAE	
Cc1cc([C@H](N)C[C@H]2C=CCCCC2)c(C)s1	1949140554	VQYCAVOBRIZUOJ-DZGCQCFKSA-N	249.423	4.501	0	10	BJAE	
CCCN[C@@H](CC)C[C@@H]1CCC2(CCCC2)C1	1949553196	XAEXFJVQEZGMOC-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CCC(=O)CC1CC2(CCC2)C1	1949732000	BCJNCFDTTYESDS-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C[C@@H](N)CC1CCCCC1	1949907336	MOTFMDCUVUZRCU-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)(C)C)C1(CC)CCC1	1951238399	IZUVXWRRDKUZGN-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](NC[C@H]2CCC=CCCC2)C1	1966015694	JGWJIHFUBCZNDY-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(CNc2ccc(C)c(F)c2)CC1	1968321012	UYUKEZVAJVSFIB-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
Cc1cccc(F)c1NC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1969469202	XRVMGKDVLDUPHF-IMRBUKKESA-N	249.373	4.618	0	10	BJAE	
CC1(C)CCC(N[C@@H]2CCCC3(CCC3)C2)CC1	1969738212	LVGFDXKJGMGOKC-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CCC[C@H](CNC2(C3CCCC3)CC2)C1	1970495639	DEJFBZNZYHNXML-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)CN(CCCC1(C)CC1)c1ccccc1	1970692303	RRDZHGPMBZEUEZ-UHFFFAOYSA-N	245.410	4.729	0	10	BJAE	
C[C@H](CCC1CC1)Nc1cccc(C2CC2)c1	1972461230	QUNUTSDCWQYZNL-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@H]1NC1CC2(CCCC2)C1	1972922754	FEJHSWLDECHWBQ-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H](CC)NCc1cc(C)cs1	1990099740	MGNVRKMTYDAMRX-ZDUSSCGKSA-N	239.428	4.505	0	10	BJAE	
CCC(C)(C)CCN(C)CC1(C)CCCCC1	1995770091	NXPUEJNPLRJHQD-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
C[C@@H](CCC1CC1)Nc1ccc(C2CC2)cc1	1996372666	PQAFGMHZJMDYBI-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](CC)C1CCCCC1	1996592700	CTPMAGGZNBYPTG-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCC2(CCC2)C1)C(C)(C)C	1997044138	WRZBMPVBXMQOHA-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(O)CCCCCC1CC1	1998745700	ZHAZUYATHYPEMX-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC(=O)C1CCC2(CCCCC2)CC1	2000280573	AYIAWHVXFQLYIW-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC(=O)C[C@H]1CCC12CCC2)C(C)(C)C	2001845791	XPXBEOCVSBYOSL-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@]2(O)CCC[C@H](C(C)(C)C)CC2)CC1	2002502524	ABWZCAMVXGHYJY-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@@H](C)NC2CCCCC2)CC1	2002926779	QXZVQHGUZWOAHR-WLYUNCDWSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](c1cccs1)[C@@]1(C)C=CCCC1	2003322929	SEKSUSPEDRFVIC-CABCVRRESA-N	249.423	4.535	0	10	BJAE	
CCCC1CCC([C@@H](C)C[C@H](C)CCO)CC1	2008725779	CYYNXDGBNJXCEP-QVOMUQBLSA-N	240.431	4.638	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](C)CC[C@@H]1NCCC	2009619632	NKFGXOJLRRIYDV-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@H](C)CC(C)C	2009635932	SAIGULKYIGKXQY-OHOWAWRESA-N	239.447	4.783	0	10	BJAE	
CCCC[C@]1(CC(CCC)CCC)CCCN1	2009767686	HLWRUJPKAXTMRN-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H]1CC=C([C@H](O)[C@@H](CC)CC(C)C)CC1	2010722554	PSRUTBAHPQDNMK-IJEWVQPXSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)[C@@H](N)CC1=CC[C@@H](C(C)(C)C)CC1	2010729506	OWOKAZJTVCBODL-KGLIPLIRSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1C[C@H](N)CC(C)(C)C1	2012064773	VKDNVHNVUVJAJG-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CC(C)C)c1sc2ccccc2c1C	2014293016	QVJZGUURNCHEIH-CYBMUJFWSA-N	247.407	4.516	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(N)C2(C)CCCC2)C1	2014337229	CLVJJZWYKGCZPK-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCN[C@H](C)C1(C)CCCC1	2014359374	PRMROGIYORTAEO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@@H](C)C(C)C)CC1	2015271710	NYZFIOBJRKCDBL-LVQVYYBASA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(C[C@@H](C)C(C)C)C1	2015395217	WXCAMHNILILLMO-OWCLPIDISA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCCC(=O)C1(CC2CC2)CCC1	2015742596	GJQIZHUJXOFWEL-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](C[C@@]1(C)C[C@@H]1C)C(CC)(CC)CC	2016392350	YHHGXRJHJKYQBP-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(CC(=O)CC2=CCCCC2)CCC1	2017124051	DVVFIYXBMHJCBN-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H](C)CC(C)(C)C)CCC1	2017129901	VJWHQFVCDYAROS-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](CC(C)C)NC)CC1	2017723473	KEEXLMRIWJIUDP-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC1([C@](C)(N)C[C@H]2CC[C@H](C)CC2)CCCC1	2017727815	DTWUQCYRUJQXEI-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CNC(C)C)[C@H]1C=CCCCC1	2019506253	UJFCROWVMJKTIN-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCN(C1CCCCCC1)[C@@H]1CCC[C@H]1C	2020507438	GAVIBZCMDOPWGV-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CCCSC[C@@H](C)Nc1ccccc1C1CC1	2021028244	OMHUYCBNVXCYLR-GFCCVEGCSA-N	249.423	4.508	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)[C@@H]1C=CCC1	2023257588	QYKWTVALRBDYQO-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CC2(C)CCCCC2)C1	2024121187	BTXAUZASLSHCRU-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC[C@@H]1CC(C)(C)CC[C@H]1O	2024148602	QOUWGNFNEMWXSO-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)c1ccccc1C(C)C	2027518846	WNAQIDISZQLHTJ-QGZVFWFLSA-N	245.410	4.946	0	10	BJAE	
CC[C@@](O)(CCC[C@H]1CC1(C)C)c1ccccc1	2027843891	UTUHNQZGVUVHMU-DOTOQJQBSA-N	246.394	4.501	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)[C@@H]1CCCC1(C)C	2028872435	FXSOPPCBCLVNRY-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1CCCC1)[C@@]12CCCC[C@H]1CCC2	2031762371	XQKNAYHCQUSHHC-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1(CCCNC[C@]23CCCC[C@H]2CCC3)CC1	2031788485	JBCCPXGTELUTQG-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
O=C(CCCC1CCC1)[C@]12CCCC[C@H]1CCC2	2031854956	JIGYSTDOVMZGEU-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CCCNC[C@@]1(C2CCCCCC2)CC12CCC2	2032134229	GYEZBPRXPGEEPW-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC[C@H]1CCc2ccccc2N1	2032652771	FSNXOESZLJSZJS-FMKPAKJESA-N	243.394	4.630	0	10	BJAE	
Cc1ccc(F)c(NC2CC(C3CCCC3)C2)c1	2033766440	GHFHXSIUJRFYPE-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC1CCC(C[C@@H]2C[C@H]3CCCC[C@@H]3C2=O)CC1	2034265066	TZVQOFOESMOBQX-PEHJNBARSA-N	248.410	4.598	0	10	BJAE	
CCCCCc1ccc(NC2C[C@H]3C[C@@H]3C2)cc1	2035803389	AMCWOFJYOHULSS-HUUCEWRRSA-N	243.394	4.630	0	10	BJAE	
CCC(CC)C[C@]1(CNC2CC2)CC12CCCC2	2036103060	BKUKYDVINLINNQ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H]1c2ccccc2NC[C@@H]1C	2037227378	WFYKCKSKSQINEB-XJIUQZFPSA-N	243.394	4.658	0	10	BJAE	
CCN[C@H](C1CCCC1)[C@@H]1CCC2(CCCC2)C1	2037589560	GBICYSFVQPOFKI-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@@H]1CCC2(CC2)C1	2038584123	TWUXTOQAWYZEGS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1CCC2(CC1)CC(Nc1cccc(F)c1)C2	2038933881	QDXSQBIDDROLDZ-UHFFFAOYSA-N	247.357	4.597	0	10	BJAE	
CC[C@@H](CC1CC1)NC1CC2(CCC(C)CC2)C1	2038934692	VTSQQBGGISWUPL-UXLYTODLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2[C@@H]3CCCC[C@@H]23)CC1	2039372571	DUVNMBMIHQABIZ-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
C[C@H](NC[C@]1(C)C=CCCC1)C1(C)CCCCC1	2039872337	MJDMUGDMDKYQSK-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(F)cc(N[C@@H](C)C2CCC(C)CC2)c1	2040632257	CMQNLVVWMZJPOQ-QRMWWUJWSA-N	249.373	4.761	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1N[C@H]1CCCC2(CCCCC2)C1	2040764541	DQKGIRBBOMDWJR-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1C[C@@]1(N)CCCC2(CCCCC2)C1	2043454152	JGYLSVFHHQGFFC-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)C1CC(C)(C)C1	2043543738	MQDKXKZJMPGWIT-CYBMUJFWSA-N	245.410	4.794	0	10	BJAE	
C1=CCCC(CN2CCCCC23CCCC3)CC1	2045312316	YRGHXYAXNOOHJC-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
N[C@H](C[C@@H]1CC12CCCCC2)C1CCCCCC1	2047015666	KJOUTNCETBSHHB-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C[C@H]1CCC12CCC2	2047929064	OBADTLJRUVQIIX-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CCC2)C1)[C@H]1CCC[C@@H](C)C1	2049533108	OTBMTLKCLGUSEA-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](N)(CC1CCC2(CC1)CC2)C1CCCC1	2049851707	CASIOIOTIZMSOJ-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1C[C@H]1CCCC2(CC2)C1	2049858058	OEXGIBXKJCOOHW-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@@H](N)[C@]1(C)C=CCCC1)C1CCCCC1	2049997500	NZPFYHMXMPFHIG-DJIMGWMZSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@@]1(C)C=CCCC1	2050000057	JPEPMMYHDDCQKB-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CCC1)[C@]1(C)C=CCCC1	2050000187	KOYVFWQXINYQFB-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc(C(=O)[C@]2(C)C=CCCC2)cc1	2050009887	PABQZKHNXSAJEA-QGZVFWFLSA-N	242.362	4.568	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CCCC(C)(C)C2)cc1	2050450530	OLLOCGBUXPAISA-CQSZACIVSA-N	244.378	4.784	0	10	BJAE	
Cc1cccc([C@H](N)CCC2CCC=CCC2)c1	2050465771	VLJNNNDCUOMPEO-QGZVFWFLSA-N	243.394	4.521	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)c1ccccc1C(C)(C)C	2055228610	QPZZBGMVANAGKH-OLZOCXBDSA-N	244.378	4.603	0	10	BJAE	
N[C@H](CCC1CC(C2CCC2)C1)CC1CCCC1	2056639083	CVSUGQAOTLMQKW-BDVYOWHSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@H]1CC[C@@H](C)C1	2056876192	OBWPIXRUAVANAN-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(CCC(=O)C[C@@H]1CCC[C@@H]2C[C@H]12)C1CC1	2057358938	WHKQBLVCYUIGAE-WOSRLPQWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2CC23CCCC3)CC1	2059003547	OWMBZURGXNOJQP-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC=C(C2(N)CCC(C(C)(C)C)CC2)CC1	2060912696	GNTWUOAGSLUZFX-CBCUQQMYSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)[C@@H](C)C2CCCC2)CC1	2061140580	ONMWSSZQCRVRIG-JJRVBVJISA-N	249.442	4.523	0	10	BJAE	
Cc1cc(CC2CC(=C3CCC3)C2)c(F)cc1F	2061721612	YLGXKRZFFSCMPT-UHFFFAOYSA-N	248.316	4.706	0	10	BJAE	
CCO[C@H]1C[C@@H](CC2CC(=C3CCC3)C2)C1(C)C	2061728534	LJDGQOFTRPNMGU-CVEARBPZSA-N	248.410	4.718	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)[C@H]3C=CCCC3)C2)C1	2063209475	UPLZAROTZOPDKJ-AWEZNQCLSA-N	246.394	4.518	0	10	BJAE	
CC1(C[C@@H](N)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063492040	WHYJTKDWSJHSOI-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(=O)C[C@H]([C@H]2CCC3(CCCC3)C2)C1	2063717006	YJQDFIQHNGXSNB-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@H]2CC(=O)CC3(CCC3)C2)C[C@H]1C	2063719047	BQWJKZRWISROHH-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(NCC2C[C@H]3CC[C@@H]3C2)cc1	2068746735	WCQIRHQKPQEAQD-HZPDHXFCSA-N	243.394	4.658	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)c1cc(C)cc(C)c1	2068821328	GZQSJVSPLFAUBJ-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C2(CC3CC3)CCC2)C1	2069520392	XWNJRIMZKJHMNF-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2070946121	DRUYVXHYOAVNEV-RUCLQGLUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC(N)(C1CCCC1)C1CCCC1	2070964138	UBPQLIUYGUQQAP-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CC[C@H]2C2CC2)CC1	2071794048	KTBALQWMAKALSF-IWCQGFGOSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](NC)[C@@H]2C=CCCC2)CC1	2072793799	NVHHJVOFTHGRER-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@H]2CCCC23CC3)CC1	2072796588	PVHJBFIBHJBYBC-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC2(N)[C@H]3CCC[C@H]2CC3)CC1	2072806134	JDIZWAVAYMAMLD-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCc1c2c(cc3c1CCC3)CCC2	2072886058	GDIHYMNONIXDME-NSCUHMNNSA-N	240.390	4.563	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CCc2ccccc21	2073341581	KZDHWOOICVLANC-WBVHZDCISA-N	245.410	4.622	0	10	BJAE	
CCCC[C@@H](CC)N(C)CC1CC(=C2CCC2)C1	2073418996	KIOJFKIKABOOMX-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H]2CCNC3(CCCCC3)C2)C1	2074133246	KUMZJKOTKCWMBI-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@]2(CNC3CC3)CC[C@@H](C)C2)CC1	2074627768	YEGFILQZPVZEDI-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN[C@@H]1CCCC12CCCCC2	2079452132	VVUHLYBCUIVJKD-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc(NC[C@H]2C[C@H]2C(C)C)cc1	2079619649	MHLZIMMWDKDKCT-WBVHZDCISA-N	245.410	4.733	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@@H]1CCCC(C)(C)C1	2080217162	GKZDVFIHRUXRAI-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@]23C=C[C@@H](CC2)C3)C1	2082989359	ZKVRIJWQPLHFCV-VBQJREDUSA-N	246.394	4.518	0	10	BJAE	
CCC(CC)[C@H](N)CC1CC2(C1)CC1(CCC1)C2	2083615713	PCYZTANPVLHOAO-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
C1=C[C@H](CC[C@H]2C[C@@H]3COC[C@H](C2)C3)CCCC1	2085906477	SDVOAMALOUPYKX-LUKYLMHMSA-N	248.410	4.576	0	10	BJAE	
CCCCC[C@@H](CC)Oc1cc(C)c(N)cc1C	2086284487	HSXLGQSRWPLOHY-CQSZACIVSA-N	249.398	4.623	0	10	BJAE	
NCC[C@@H]1CC[C@@H](CCCCCCC2CC2)C1	2213574006	NQXRPQPTLPNJGJ-CVEARBPZSA-N	237.431	4.502	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)CCCCC2CC2)C1	2214562887	LVPGJEORNYEVGL-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CCCCC1CC1	2214586360	VQNAZZYZPFWDQL-OAHLLOKOSA-N	236.399	4.886	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)CC1(C)CC(C)(C)C1	2215393182	KTMJBLBFVCOYRJ-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC1(C)CC2(CCC2)C1	2215442087	MHXMVLKRSFSOCN-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)CN[C@@H]1CCC[C@H](C(C)(C)C)C1	2216255900	FLKPCGNXHSVCHW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(F)F)CCC(C)(C)CC	2216406969	CTSPEIOFFPIMEH-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CCCCCCCCC1CC1	2216878004	ABUFSJRRKLYKNT-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H](C)NC[C@H](CC(C)(C)CC)C(C)(C)C	2217126582	BAAHSLFQLFAMHO-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC[C@](C)(CNC1CCC1)C[C@@H](C)CC(C)C	2217159891	SRIPHHWTKUIVQE-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
C[C@@]1(CNCCCCCCC2CC2)CC=CCC1	2218722678	CKWUOPQDPWFTAA-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@](N)(CC1(C)CC2(CCC2)C1)[C@@H]1CC1(C)C	2221017758	WJULRSPSKZQEDO-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CCCC23CCCC3)C1	2221028110	MWTDYVXEYASWJX-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@@H](CN[C@H](CCC(C)C)C2CC2)CC1	2221668825	RJDCRIGAZDZEMU-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1[C@@H](O)C1CCC(C)(C)CC1	2222005662	IPUJNDFYPBGLLZ-INIZCTEOSA-N	246.394	4.553	0	10	BJAE	
O=C(CCC[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1	2222956205	ZXOJBTPYCWCFIW-YCPHGPKFSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)(CC)CNc1c(C)cc(O)cc1C	2223333357	JAMTWGLWTPYMME-UHFFFAOYSA-N	249.398	4.637	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CC(C)C2)CC=C(C)CC1	2223590201	VKTQYLWVXWNOJK-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1cccc2ccoc12	2224195550	FODGTPKCCBQNNN-IUODEOHRSA-N	246.350	4.539	0	10	BJAE	
CCCCCC(=O)c1ccc(CCCC)s1	2242605106	PRSCTGCAUOEKML-UHFFFAOYSA-N	238.396	4.854	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H](CC)CCC	2244775072	KDUGRYZKDSAPKV-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
Cc1cccn1CC[C@@H](C)CCCC(C)C	2244847805	SXKXOQSREHDZLQ-AWEZNQCLSA-N	221.388	4.649	0	10	BJAE	
CCCN[C@H](CC1(C)CC(C)C1)[C@H](C)CCC	2246454139	LIYMKYWZAKEHDY-LVDPKSTMSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CC1CC2(CCCC2)C1	2246819889	PXQUMACBJANLIX-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C[C@H]1CCC12CCC2	2247438048	DFMPIWWSFFWPBB-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H](C)C(C)(C)C	2247457431	ROFQJPLNTUTKOU-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C(=O)CC[C@@H]1CCCC12CC2)C(C)(C)C	2247644514	ZBOMBZMWITVZOV-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H](N)CCCCC[C@H]1C[C@@H]1C	2248839921	DOBUKGGDHVQKMK-CWRNSKLLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCCC(C)(F)F)NCC	2250356419	FCTKSPVVCSTBHM-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)CC1CCC1	2250468062	YYFANMSTBPJASA-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCC[C@H](C)CCNCCCC1CC1	2250490239	HCORNTSLZAABQE-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C[C@H]1CCCCC12CC2	2253832775	OBDVLALZYVJREP-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)CC1CC2(CCCC2)C1	2254105077	FTDZPUPALHXZKR-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1C[C@@H]1CCC12CCC2	2255021956	BRIVEXPFAOXUIG-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H](N(C)CC2=CCCCC2)CC(C)(C)C1	2255059701	XVEPSYHKZRFBAR-HOCLYGCPSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1C[C@@H]1C(C)C	2255098947	CAUIHYALDINUIZ-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
C[C@]1(C(=O)CC[C@H]2CCCC23CC3)C=CCCC1	2255315273	LNKMKFDYEDFDQQ-ZBFHGGJFSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCC[C@@H]2CC[C@H]21	2257339285	KBSYNWPCLSIMLK-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CCC3(CC3)C2)c1	2257906875	HVZLANVMZFTHCG-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cccc(C(C)(C)C)c1	2259441732	FHABRKARAHXPAB-CJNGLKHVSA-N	248.410	4.844	0	10	BJAE	
CCCN(C[C@]12CCC[C@H]1CC2)C1CCCCC1	2260615239	DNFSLONVGQGXRF-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@@H](C)CC1CCC1	2298871742	UMVXFNUUCWHUKY-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1CCCC(C)(C)CC1	2298909974	CJRSQILVSOKVMI-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCN(C)c1cc(C)cc(C)c1	2300687854	HELWJUWSQVGBTJ-UHFFFAOYSA-N	233.399	4.566	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)[C@@H]1CCC[C@@H](C)C1	2300689545	ZEMMLCJNKUPPIH-FVQBIDKESA-N	239.447	4.747	0	10	BJAE	
CC(=CCC1(O)[C@@H](C)C[C@@H]1C)CCCC(C)C	2300974678	MWGXHQJYBCTQJL-GJZGRUSLSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)NCC1(C)CCCCCC1	2301687486	BKXJOSANEOKWOC-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@H](C)[C@H](C)C(C)C)C1CCCCC1	2301706487	GFMBWODIAUOALB-FMKPAKJESA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)NC(C(C)(C)C)C(C)(C)C	2301836974	PZAJCXANIOQJAH-QWHCGFSZSA-N	241.463	4.717	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)NC(C)(C)C1CCCCC1	2301955251	ICKUQRBGNIZALT-KBPBESRZSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)c1ccc(C2CC2)s1	2302615197	JWZWMLLMAPPVFF-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@@H]2CCC(C)(C)C2)C1	2302754225	WFXUUMBRQCRBNH-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CC(C)(C)C)N(C)C[C@@H]1CCC(C)(C)C1	2302876782	XZMLFHOZKRDERO-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCCC[C@@H]3C[C@@H]32)c1	2302917424	VOJAYTXVCLORRM-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
CCCC[C@H](C)C(=O)CC[C@H]1CC[C@@H]1C1CC1	2303155334	BKIQQRZWSVFSDS-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1CC[C@H]1C(C)(C)C	2303401638	NTILMZUTRSSNPG-BFHYXJOUSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H](CC[C@@H]1C[C@H]1CC)C(C)(CC)CC	2303590549	OCJZCGQMGPPIBB-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)N(C)CC[C@@H]1CCC(C)(C)C1	2304393181	DHLCURTXMSYZKU-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCC(C)(CC)CNCC[C@@H]1CCC(C)(C)C1	2304407925	KTVDIDHJMXOLDB-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](O)c1ccc(C)cc1	2307823299	NDWXONPCGZCZJI-GDBMZVCRSA-N	234.383	4.635	0	10	BJAE	
CCC[C@H](CC)CC(=O)CC1CC2(CCC2)C1	2307922884	HCRXJUINUDMIOC-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313174490	PTECORFHPBQWCF-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C[C@@H](N)C[C@@]12CCCC[C@@H]1CC2)C1CC1	2313321407	NRZHQLNOHBBLEU-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)(C[C@@]23CCCC[C@@H]2CC3)C1	2313349217	URUBDAHIZHOJGE-NCOADZHNSA-N	249.442	4.502	0	10	BJAE	
C[C@@H](CC1CCC1)C1(N)CC2(CCCCCC2)C1	2313612081	KIFHXWXQJGRZEZ-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC(C)CCC[C@](C)(O)c1cccc(C(C)C)c1	2315910119	WRMZWHYICJCGNR-KRWDZBQOSA-N	248.410	4.844	0	10	BJAE	
CCC(CC)CC[C@@]1(N)C[C@@H](C)c2ccccc21	2316275173	JQZQXFRYALJJQQ-CXAGYDPISA-N	245.410	4.564	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1C[C@H]1C1CCCC1	2316508719	DMYPQJSETRLNPY-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H]1C[C@H]2CCC[C@H]1CC2	2316791308	MPOAIVYIKYNBGJ-UFJKXDCZSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2317001702	AXSVQNAYFVGJAA-SDADXPQNSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](O)CC(C)(C)Cc1ccccc1	2317220671	OQSBRLATXHCPGW-INIZCTEOSA-N	248.410	4.587	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CCC2=CCCCC2)C[C@H]1C	2317937554	ZDFMTRBTNHXFDI-IIAWOOMASA-N	248.410	4.908	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)CCCC1=CCCCC1	2318595455	PRRQRPKFCWDTIF-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](C[C@](C)(F)c2ccc(N)cc2)C1	2319327587	XSIWHBMUJBVZAL-LRDDRELGSA-N	249.373	4.670	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)[C@@H]2CC[C@H]2C(C)(C)C)CC1	2320224883	VRYRYEXNPNDCOK-XZDPQHSOSA-N	249.442	4.523	0	10	BJAE	
CC(C)CC12CC([C@]3(N)CCCCC[C@@H]3C)(C1)C2	2321594412	DNDMNGJVQCMNSY-OTBWCIGPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCNc2ccc(CF)cc2)C1	2321607368	DXXILPRZXBHMGA-CYBMUJFWSA-N	249.373	4.784	0	10	BJAE	
CCCCCCc1ccc([C@H](C)C[C@H](C)N)cc1	2327912832	YGVUDSMPPLRYBP-CABCVRRESA-N	247.426	4.650	0	10	BJAE	
CCCCC[C@@H](C)Nc1cc(C)ccc1C	21506475	TUYCIQWVOTXFNF-CQSZACIVSA-N	219.372	4.684	0	10	BJAE	
CCCCCCN[C@H](C)c1cccc(Cl)c1	21510042	FQKOAHXCUFNSCA-GFCCVEGCSA-N	239.790	4.571	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C)cc1C	21793002	IICZCCGWBLYHJF-KMFMINBZSA-N	245.410	4.533	0	10	BJAE	
CC[C@H](NC(C)(C)CC(C)(C)C)c1ccccc1	37100880	YXWKYAYSQIIDNQ-HNNXBMFYSA-N	247.426	4.942	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NC)c1sccc1C	42729290	QDNLMFNWKNLDGR-CHWSQXEVSA-N	239.428	4.533	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)[C@H](C)CC[C@@H]2C	49829130	FJZIIKIBMSOORR-VHSXEESVSA-N	237.774	4.859	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H]1CCC[C@H](C)C1	71157011	VXOMNQDJLSLATQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CNc1ccc(Oc2ccc3ccccc3c2)cc1	77427834	WCCKQTMAUDEKSS-UHFFFAOYSA-N	249.313	4.674	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](NC2CCCCC2)C1	78212627	HQUCCJGSCQBFOS-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
C1=C(C/C=C/c2ccccc2)Cc2ccccc21	80777176	CKBWCOGVLHKOGY-RMKNXTFCSA-N	232.326	4.730	0	10	BJAE	
CCCCCCC(=O)C1CCC(C)(C)CC1	83778563	VMYNEDCCCTUMNW-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC1CCC([C@H](O)c2cccc(C)c2C)CC1	85077765	JEKHNIWLKWKTBZ-DQPZFDDXSA-N	246.394	4.553	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C1CCCCCC1	87947660	FUTKKYLWJNEXBE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(=O)c1cc(C)c(F)cc1Cl	87973854	KVTWKHSPWAFDSK-UHFFFAOYSA-N	242.721	4.551	0	10	BJAE	
Cc1cc([C@@H](C)N[C@H]2CCCCC2(C)C)c(C)o1	94279212	ISCLIHZFAYVLBD-DOMZBBRYSA-N	249.398	4.516	0	10	BJAE	
CCCCCCC(=O)c1cc(C)c(F)c(C)c1	97467797	QNTZPDQZQIXNEJ-UHFFFAOYSA-N	236.330	4.596	0	10	BJAE	
CCC1CCC(N[C@H](C)c2cccc(C)c2)CC1	103990603	OJCYTXNPKZRZOI-HPUBIQBYSA-N	245.410	4.614	0	10	BJAE	
CC(C)CC[C@@H](C)NC1CCC(C(C)C)CC1	109759373	LSVGIWJLELCHFT-QQFBHYJXSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](N[C@@H](C)C(C)(C)C)c1ccccc1	122580700	KUJAYTPWZXQVSS-HOCLYGCPSA-N	247.426	4.942	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@H]2CCC(C)(C)C2)c1	124992692	STKWMSNKTJEJAP-GJZGRUSLSA-N	245.410	4.533	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC	125465328	CVOXTUCMSSLALJ-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCc1cccc(C(=O)CCC2CCCC2)c1	127592783	LOCOVHNWVYNIDR-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCC(C)(C)C(=O)c1ccccc1C1CCC1	128322705	LWFVVTXNQNMVAA-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)c2ccc(C3CCC3)cc2)C1	132996221	ZSBDRTVQFHXNMH-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CCC(CC)c1nc([C@@H](C)CC)cs1	149229141	WBNLUBWVINSGFU-VIFPVBQESA-N	211.374	4.560	0	10	BJAE	
CCNC[C@@H](CCC(CC)CC)c1ccccc1	150098876	JWWGXIAMXMCYJH-QGZVFWFLSA-N	247.426	4.596	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C1=CCCCCC1	161961273	MRGXZVFEJCXRHZ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C[C@@H](C)C(C)(C)C	163335960	DKKWKXUEIPKLTO-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)C(=O)Cc1ccc(C(C)(C)C)cc1	164900296	SWHBUCYXCQWKGH-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CCCC[C@](CC)(CNCCC)C1CCCC1	168033887	CITMMAOXZVUMSR-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CSc1ccccc1N[C@H]1CC[C@@H](C)C[C@@H]1C	221824052	ZYZGFIZQFWIEAB-AGIUHOORSA-N	249.423	4.645	0	10	BJAE	
C[C@H](C[C@H](N)C1CCCCCC1)CC(C)(C)C	229144896	WCRFNYDPUJDCSC-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC1(CC)CCCC1	233921647	XFXZKZZRVMHDLY-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCCCC[C@H]1C	252032108	ZLPIDDYAIAUQCO-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCC[C@H](CC(C)C)C1	300308651	JVPIFPYIZVVAEE-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@@](O)(CC)CCC	300352895	QVQVRSWLOPPQPP-UONOGXRCSA-N	214.393	4.534	0	10	BJAE	
Clc1ccccc1N[C@H]1/C=C/CCCCC1	301012433	OKTNXWXIMNFSCT-GXWOQWCDSA-N	235.758	4.641	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)c1cccc(CC)c1	305995139	JXZBBIDNRSIRQD-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
Cc1ccc(CCC(=O)C[C@@H](C)CC(C)C)cc1	306005391	VWZIYRUADCZKKM-HNNXBMFYSA-N	246.394	4.569	0	10	BJAE	
C=Cc1c(C)ccc(OCc2ccccc2)c1C	307736387	ALJXVTQEVCBANN-UHFFFAOYSA-N	238.330	4.525	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)C1CCC(C)CC1	308014972	FCGNHSXGBQZODE-SSHXOBKSSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1cc2ccccc2o1	308059426	WLOQGVLHXVCTAU-GFCCVEGCSA-N	244.334	4.688	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(O)CCC(C)(C)C[C@H]1C	309991383	BIXRSLMAZJQTGJ-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccccc1[C@@H](C)CCNC(C)(C)C	311003939	YIGIXJPHBDKTCW-AWEZNQCLSA-N	247.426	4.692	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2CCCC23CCCCC3)C1	313038140	IPTONXHEMQCSCL-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCCCCC1(CNC(C)C)CCCCCC1	317718713	JINQQGXHWSNISK-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
C[C@@H](CC[C@@H](N)C1CCCC1)C1CCCCC1	380044800	SXEVHNPIHFIRDV-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCC(=O)c1cccc2ccsc12	386252211	SAAOVYBVASFCOO-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CN[C@H](c1cc(C)cc(C)c1)C(C)(C)C(C)(C)C	386495262	KNTBFNOHCHYVAX-OAHLLOKOSA-N	247.426	4.636	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CCC[C@H](CC)C1	394555143	HLRNEBOEUWOMIK-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCC(F)(F)C1	394808176	IMHREGXQVUTTLT-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CCc1c(C(F)(F)F)ccc2scc(F)c12	396305673	XAYXPEVPDXPINW-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
Cc1cc(S)cc2sc(C(F)(F)F)cc12	396311815	WEAHCUZDJOPRDS-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@H](C)C(C)(C)C)cc1	399055560	ZITVIYQLNLSIHM-ZDUSSCGKSA-N	246.394	4.750	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC(C)C)[C@H](C)C(C)(C)C	399304061	KAKMHCDCLFPJMO-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)CC1(C)CC1	401357456	GYTCFWATKJNQAI-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H]1CCC/C(=C\Br)C1	606288167	MQFRIABZHVWWKP-NGPGYTDTSA-N	231.177	4.502	0	10	BJAE	
CCCC1(/C=C(\CNC(C)(C)C)C(C)C)CC1	687560252	FNJMZKJLLXRGBI-SDNWHVSQSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCCC1CCC1)[C@H](C)C(C)(C)C	688408842	VYNBMWIXBQKDEQ-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC(=O)C1CC2(CCC2)C1	691952995	ONGDWIPJIBIUNK-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O	696782708	PQDANMZCAMVGAF-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCC=C(C)C)C1	697863513	CCWSXBPHIZFDRG-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CC/C(=C/[C@H]1CC2CCC1CC2)CNC(C)(C)C	701073390	DCZTZXKRMAYNOW-PGEZSSDCSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCCc1cscc1C(F)(F)F	704727344	MQAAHZFZFDAVFG-UHFFFAOYSA-N	234.286	4.666	0	10	BJAE	
C[C@@H](C[C@@](C)(N)CCC(C)(C)C)c1ccccc1	704867275	ZHXLESOFRSDYHN-YOEHRIQHSA-N	247.426	4.724	0	10	BJAE	
CCCC(N)(CCC)[C@@H]1CCC[C@H](CC)C1	704979384	PUYYNFKYFGHFPI-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
C[C@H](CSc1ccc(O)cc1)CC(C)(C)C	709232218	BHJJXGCUHXUQEN-NSHDSACASA-N	238.396	4.557	0	10	BJAE	
C[C@@H](C[C@@]1(O)CCCC(C)(C)CC1)C(C)(C)C	710734414	DUNALHUNUIZJEU-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(C)c([C@](C)(N)C[C@H](C)C(C)(C)C)c1	710756474	CDUCIEPTKMUTLP-WMLDXEAASA-N	247.426	4.550	0	10	BJAE	
C[C@H](C[C@@H](O)[C@H]1CCCCC1(C)C)C(C)(C)C	710790489	YVNRQQYLNVQMLX-MGPQQGTHSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@H](C[C@H](CC)C(C)(C)C)NC	711079495	GBXWSYRQAJKAIM-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CN[C@@H](CCC[C@@H](C)C(C)(C)C)c1ccccc1	711238219	BBNVYPUUBHCIPA-ZBFHGGJFSA-N	247.426	4.800	0	10	BJAE	
C/C=C/[C@H](NCCC)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714434498	CZAVKNBFLXMWSW-CBDVFQROSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC[C@H]1C[C@@H]1C1CC1	714770807	LRYJHKABJUIFHD-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](NCCCCC2CC2)CC1	716357568	HXOZBANWANAIDM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)C(C)(C)C(C)(C)C	718575320	YKUSDNRLQSLCBL-CYBMUJFWSA-N	225.420	4.523	0	10	BJAE	
CCN[C@H]1CCCC[C@@H](CCC(C)=C(C)C)C1	718641951	AMGNCMPKHIYRRL-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CC(C)C)[C@H]1CCCCCC1(C)C	719216653	KKTRLKPHCCKJRI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)C2CCC(C)(C)CC2)c(F)c1	721282795	GEMOWHAJSHGUII-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@@H]2CCCC3(CC3)C2)C1	723559582	JHDFBLVGEYWZLD-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
c1csc(SCC2CCC3(CC2)CC3)c1	1643647627	VCPKEEUHNQMTPX-UHFFFAOYSA-N	238.421	4.811	0	10	BJAE	
CC=CCCCc1csc(C(F)F)c1	1885363162	OLATXWQWOFURRR-UHFFFAOYSA-N	216.296	4.585	0	10	BJAE	
CCC(CC)CC[C@H]1CC(=O)CC(C)(C)C1	1900694225	WUHBXSHURXJKEL-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1c1nc([C@H]2CC2(C)C)cs1	1901913140	WOURTBLTPNHPID-GMTAPVOTSA-N	235.396	4.560	0	10	BJAE	
CCC1(C)CCC(O)(CCC[C@@H]2C[C@@H]2C)CC1	1908573805	ZADNZJDZHHWRER-QRNKSROTSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@@H](CCC=Cc1ccccc1)NC	1911849769	HZFGAIPHLVKTSY-NVXWUHKLSA-N	245.410	4.504	0	10	BJAE	
C=CC=CCCC1(CNC(C)C)CCCCCC1	1911942523	YHZNPPOWSZSPFV-UHFFFAOYSA-N	249.442	4.847	0	10	BJAE	
CCC=CC[C@@H](CCC)c1ccc(O)cc1	1912113053	XTERWBPNTCMQDG-CYBMUJFWSA-N	218.340	4.632	0	10	BJAE	
Cc1ccc(Cl)cc1NC1CC2(CCCC2)C1	1912720530	IQNCDTADGWEPCB-UHFFFAOYSA-N	249.785	4.783	0	10	BJAE	
CC[C@](N)(C[C@@H](C)CC(C)C)c1ccc(C)cc1	1919458207	KMUBPXUNIRIHCW-RDJZCZTQSA-N	247.426	4.631	0	10	BJAE	
CC(C)CCC[C@@](N)(CC(C)C)c1ccccc1	1920484351	NKZWTHDEKQGYCJ-QGZVFWFLSA-N	247.426	4.713	0	10	BJAE	
CCCc1ccc(C(=O)CC(CC)CC)s1	1926145145	OLTHARMBEQYDQM-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CCC(CC)C[C@H](C[C@H]1CCC[C@@H](C)C1)NC	1926373060	YTKCXKVOIBXAAL-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(CCC2CC=CC2)C[C@H](C)C1	1929817271	DKPCSDBNNHSURA-CHWSQXEVSA-N	206.373	4.805	0	10	BJAE	
CN[C@H]1CCCC[C@H](CC2(C)CCCCC2)C1	1940405205	BIEPKFZUJVUVKR-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC1(C[C@@H](O)CC[C@H]2CC2(C)C)CCCCC1	1940856135	LZHPSQMSRWTFPP-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@H](CC)C(C)C	1941273844	VUYDFMKFUAGTBV-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NCCCCCC2CC2)cc1C	1941575436	BCNUBVBCSYBOMQ-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
C[C@@H](NC1CC2(CCCCC2)C1)c1ccsc1	1941799389	CDMHQXZCBOYTAD-GFCCVEGCSA-N	249.423	4.512	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1C[C@H](C)C[C@@H](C)C1	1943044533	WBHGQNTTXFCPBA-NFAWXSAZSA-N	240.431	4.636	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)C[C@H]1C=CCCC1	1947584552	ALASIENYFVKNNG-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC(F)(F)CC)C(CC)CC	1947891008	TYKUWPGVUZBZLC-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCC1(C)CC(NCCCC2CCCCC2)C1	1948399183	YMOQPBOZEUVBJO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC[C@H](C)CC(F)F)NCCC	1948429202	KSDNJOLFBRYEHR-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CC(C)(C)CC[C@]1(O)C[C@H]2CCCC[C@]2(C)C1	1948597465	XZOUXVUOWDVIAG-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
Oc1ccccc1S[C@@H]1CCC2(CCCC2)C1	1949452258	KOCLHAKHQXOHNF-GFCCVEGCSA-N	248.391	4.597	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCC(C)(C)[C@@H](N)C1	1949654174	RGBIRIOFBHAUCQ-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](O)CC2CCCCC2)CC1	1950912611	ZEUURWJOLBFFKP-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@H](C)CCC1CCC(N)CC1	1951643664	MINAMCSIQVAJFB-FHERZECASA-N	237.431	4.667	0	10	BJAE	
CCCC1CCC(N[C@@H]2C[C@H]2C2CCCC2)CC1	1966024053	YJYKEOLWDLWKCC-MHVXSEJMSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N[C@H]2CCCC3(CCC3)C2)cc1	1968313830	LBHDEEWJASNNQT-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CCc1ccc(N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)cc1	1968314225	QTZSUDSPOIQACM-VWPFQQQWSA-N	245.410	4.732	0	10	BJAE	
CC[C@H](NC1CCC2(CCCC2)CC1)[C@@H]1C[C@H]1C	1970538272	MUVIGVCQERPCKH-BMFZPTHFSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H](C)C(C)C)c(Cl)c1	1988300852	SQTPMJUVKRXQPK-LLVKDONJSA-N	238.758	4.513	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)[C@H](C)C(C)(C)C	1993482751	KNZBUKTVOVMEGV-JTQLQIEISA-N	238.758	4.513	0	10	BJAE	
CCC(CC)N(CC)CC(C)(C)C(F)(F)CC	1995880156	VIPLAQAAMUOPML-UHFFFAOYSA-N	249.389	4.568	0	10	BJAE	
CCCN[C@H](C(C)C)[C@H](CC)C1CCCCC1	1996595215	UBDBFTZICIINTH-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCC2(CCC2)C1	1997044422	YWLRYFGNAKXOOE-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)C1(C)CC=CC1	1997546588	NYNWIYDTCALBQM-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(=O)[C@@]1(C)CC=CCC1)CC(C)(C)C	1997610130	CETQZRBKRSKOBL-BBRMVZONSA-N	236.399	4.764	0	10	BJAE	
CCCC[C@](C)(CCCC(C)C)CNC1CC1	2000519542	CVFXQXKTEMCQDT-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2CCCCCC[C@@H]2N)C1	2003100135	PCDWLXBVJHDKBA-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@@H]1CCC2(CC2)C1	2003228459	SVXQGMGYRDQWTG-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)[C@H]1CCCCC12CCC2	2005563763	MSFSXSQIMZCQNH-BFHYXJOUSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@]1(CN)CCCCC12CC2	2005601565	NMUBJHNEKFJXEU-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC1CCC(C)([C@H](O)C[C@@H](C)C(C)(C)C)CC1	2007699722	ZBTVCBKPCWVHEN-MYMJJRTCSA-N	240.431	4.636	0	10	BJAE	
CCC1CC(C[C@]2(O)CCCCC[C@@H]2CC)C1	2007756983	PPHYQPIMJGEVQJ-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@@](C)(N)C1CCC(C)(C)CC1	2009571957	JLYUOJYNIYZARF-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
C[C@H](CC(=O)C1CC(=C2CC2)C1)CC(C)(C)C	2011099514	XLISKEUNMADVDV-LLVKDONJSA-N	234.383	4.518	0	10	BJAE	
C=CC=CCC[C@@](CC)(CNC(C)C)C(C)C	2012421866	QEGWDJXWNYMRGP-INIZCTEOSA-N	237.431	4.559	0	10	BJAE	
CC[C@H](C)C1(N)CCC2(CCCCCC2)CC1	2013211277	IOJFFTSCQDBBGI-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCC1CCC([C@@H](O)C[C@H](C)C(C)C)CC1	2015269348	HEDZQYBSOQWXKC-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2016114076	DELSWSWVCHTUHL-FXUDXRNXSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@@]1(C)C[C@H]1C	2016468162	PBPBLXQGHWOKOL-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]([C@H](N)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017146495	TWCIAGYRJDGJJN-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
C/C=C/CCC[C@H](CC[C@H]1C[C@H]1C)NCCC	2017242272	KHTJNQMDKSWMRN-BSUXDPLCSA-N	237.431	4.537	0	10	BJAE	
CCC1CCC(C[C@@H](O)C(C)(C)C(C)C)CC1	2017652694	JWJJPVGMZBGWLU-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC[C@@H]1C1CCC1	2018130406	NXWGCMHSCNEJMW-XHSDSOJGSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)CN(C)[C@H](C)CCC(C)C	2019193375	WITFDVUGAADSSX-CVEARBPZSA-N	241.463	4.959	0	10	BJAE	
CCC[C@H](C)CN1CCCCC12CCCCC2	2019288621	YGUQGNPTVGLIII-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCCN(C1CCCCCC1)[C@@H](C)[C@@H](C)CC	2020502529	UQHNRNQSJIVVPS-GJZGRUSLSA-N	239.447	4.856	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@H]1C[C@@H]1CCC	2022392353	ZPHFYUKDVIFXGE-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@H](O)CC1CC(C)(C)CC(C)(C)C1	2024114747	CKTUNRMQXJAUCG-TZMCWYRMSA-N	240.431	4.636	0	10	BJAE	
CC1CCC(C(=O)c2cccc(C3CC3)c2)CC1	2028556465	DOMOZCSPSJHTTH-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CNC[C@H]1CCCCC[C@@H]1CC1CCC=CCC1	2028875122	CUXJFBNSGDRHSZ-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C(=O)C1CCCCCC1	2029600553	NCEKWOPGKGVIAM-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@]2(N)CCCC23CCC3)C1	2031816131	DNSNKGJUYMAUDX-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](O)C(C)(C)C2CCCC2)cc1C	2032274026	WQUUKPNJHGMTFZ-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C(C)(C)C(C)C)c1C	2032307915	YUKINMBYNYBETC-UHFFFAOYSA-N	246.394	4.785	0	10	BJAE	
CNCC1(C[C@@H]2C=CCCC2)CCCCCCC1	2035603944	XSDWPYZDENVJLT-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC1(C[C@]2(N)CCCCC23CCC3)CCCCC1	2035922062	VXWFVOPFHDIALS-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H]2CCCC[C@]2(C)C1)C1CCC1	2036662298	VKNYVKIMRXZVQF-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@H](C1=CCCCC1)[C@@H]1CCC(C)(C)C1	2037686439	MBUQCGMJKFPTDP-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)[C@H]1CCC2(CCCC2)C1	2037706946	ZJFVWTQIMRMZPW-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC1(CC2CC3(CCC3)C2)CCCC1	2038081245	PVQADWNDDMUANT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc([C@H](O)[C@H]2CCC[C@H](C)CC2)c1	2039364254	WKSARPIWASWFHK-YLQAJVPDSA-N	246.394	4.553	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1cccc(C)c1C	2039447868	QBOQXZNNYDQSDW-GDBMZVCRSA-N	243.394	4.708	0	10	BJAE	
C[C@@H](N[C@H]1CCCC12CCC2)C1(C)CCCCC1	2039872282	LTFHUQONELBGDH-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@@]2(N)CC(C)(C)CC3(CC3)C2)C1	2040168440	HFJHJGRTRIVNDC-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](N)CCC=Cc1ccccc1	2040725747	KKPQADPOHSOKRD-MRXNPFEDSA-N	245.410	4.634	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC2(CCC2)C1	2041290918	VCHBTZLCRMSDMT-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@H]1NC[C@]1(C)CC=CCC1	2042069564	LAGLFFAEUUWTCO-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCC1(C)CC=CC1	2042081609	WKJPSWTYYUJICQ-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC1CCCCCCC1	2043191180	NWKWPIDUSLPVHH-HNNXBMFYSA-N	249.442	4.968	0	10	BJAE	
C[C@H](N[C@H]1CCC2(CCC2)C1)C1CCCCCC1	2043605089	KTDJJCONCJVEGG-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@@H](C)CC1=CCCCC1	2043683765	QUJQNTWLQOUNRH-XIRDDKMYSA-N	249.442	4.680	0	10	BJAE	
CC[C@H]1CCNCC1=C1CCC(C(C)(C)C)CC1	2045255629	ZMBWJUSBIKWJEI-CFMCSPIPSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CCC=CCCC2)C1	2045313077	URYOFBPMOCGQAX-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H](C)c1ccc(NCC2(CF)CCC2)cc1	2047710206	OEVLTAZBBUNWJT-CYBMUJFWSA-N	249.373	4.752	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2048468336	FDLUPBSELOCZSY-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2[C@H]3CCC[C@H]32)cc1	2048478836	ORTZNUIPHXZZTF-SJWGOKEGSA-N	244.378	4.625	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)C[C@H]1CCCC2(CC2)C1	2049932190	IAPNIDRDQOIJOT-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1C(=O)CCCC1CCCCC1	2050451790	XZPUEDIEUOBGOD-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
Cc1cccc([C@@H](N)CCCC[C@H]2CC2(C)C)c1	2050460862	NOZCLDMJVFBSMH-HOTGVXAUSA-N	245.410	4.601	0	10	BJAE	
CCC1(CC)CCC(Nc2cc(C)ccn2)CC1	2051660808	PXNAHGWISFOUPE-UHFFFAOYSA-N	246.398	4.551	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C1(C2CCC2)CC1	2051909359	BWWBGYTVWWLCKS-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)c1ccccc1C(C)(C)C	2055228609	QPZZBGMVANAGKH-CHWSQXEVSA-N	244.378	4.603	0	10	BJAE	
CC1=C(C)[C@@H](N[C@H]2CCCC3(CCC3)C2)CCC1	2055541892	UBRDJUWDPXNSCB-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1C=CCCC1(C)C	2055541910	KQJPQWHBTFOLCJ-ZBFHGGJFSA-N	249.442	4.680	0	10	BJAE	
C[C@H]1CC(CNc2ccc(CF)cc2)C[C@H](C)C1	2055678440	QKMIDLDILZJOBW-CHWSQXEVSA-N	249.373	4.640	0	10	BJAE	
CC1=C[C@H](N[C@@H]2CCCCC23CCCCC3)CC1	2055851827	TUBSTHAJPYHJFK-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)CC1CC(C(C)C)C1	2056643772	WMGCPGNTHIBFFR-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H]1C[C@@H]1C(C)(C)C	2056883633	PKCINJALAKPWLZ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(N[C@@H]2C[C@@H]3CCCC[C@@]3(C)C2)C1	2059394590	YCJQOVOMLASANH-VNPUNGKLSA-N	249.442	4.514	0	10	BJAE	
CCCCCC1CC(Nc2cc(C)cc(F)c2)C1	2059396446	AEXXJCAVTFVILF-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
CCCC[C@@H]1NCCC12CCC1(CCCC1)CC2	2059472831	MQRWADHORFTQJN-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCC1CC(=C2CCC2)C1	2061640613	OFIYHHFWWHQDND-SUMWQHHRSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C1CC(=C2CC2)C1	2061647231	OHGNVWSKFJDJBH-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CC1CCCCCC1)CC1CC(=C2CC2)C1	2061729972	CIPDQLRGJMPFQF-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCCCC[C@H](NCCC)C1CC(=C2CCC2)C1	2061733582	FNZMEXBYKZAZNA-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC1(CNC(C)(C)C)CC=CC1	2062646729	OLEIMJNZTHVDEW-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2C[C@H]3CCC[C@@H]3C2)CC1	2063537137	ZRRPBNWMIZOUPT-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC12CC([C@@H](N)CCCCCC1CC1)C2	2063994557	UQPVYUIURNFHJD-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CC12CCC(CC1)C2	2065328211	PNYGBKFMUDHLSB-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)C2CCCCC2)n1	2066355048	UQNQMTAOYNPYRN-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
N[C@H](CC1C[C@@H]2CC[C@H]2C1)C1CCCCCCC1	2068772783	QTWYZUSNUXAVBI-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)c2c(C)coc2CC)CCC1	2069281643	ZWKYWCDQTICHBK-UHFFFAOYSA-N	248.366	4.694	0	10	BJAE	
CCCC1(C[C@](N)(CC)c2occc2C)CCC1	2069342500	PIHPODVBRXWGGP-MRXNPFEDSA-N	249.398	4.513	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1(CC2CC2)CCC1	2069517234	JWIMOJRTNJCSIT-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1CCC2(CC1)CC2	2070408201	NNKQUWMYGMABQF-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C1CCCCC(N[C@H]2CC[C@H]2C2CCC2)CCC1	2071794481	NNSBLFKCAOOVLH-IRXDYDNUSA-N	249.442	4.658	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(C3CC3)CCCN2)CC1	2072802650	ZYRIVUDINOWPPA-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2072881060	DARXRDBKLJKAFI-PEHJNBARSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](CC)NC1CC2(C1)CC21CCC1	2073344107	BIAXLJYYUOXPKB-UQPPLGOBSA-N	249.442	4.658	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@]12CCCC[C@H]1C2	2074101852	PNEKMNODCKEHBU-XJNFMUPTSA-N	246.394	4.518	0	10	BJAE	
CCCCN(Cc1cc(C)ccc1C)[C@@H](C)CC	2074925094	KSOGDWRCLILWRG-INIZCTEOSA-N	247.426	4.704	0	10	BJAE	
CCCCN(C[C@@H]1CC12CC2)C1CCCCCC1	2076558300	KHKAXGSJEOTHAN-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC(N)(C[C@H]2C[C@@H]2C2CCCCCC2)C1	2079669623	IBOGKGGEDSGJOW-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2C[C@H]2C(C)(C)C)cc1	2079814762	OTTXYBSCKJCIED-GDBMZVCRSA-N	246.394	4.871	0	10	BJAE	
CCCN[C@H](C=C1CCC1)[C@@H]1CCC[C@@H](C)CC1	2080261802	VUKOIGNVZUZPSP-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
Fc1ccccc1N[C@@H]1CCC[C@@H]2CCCC[C@H]21	2081139418	CILGMIFZFGCNLK-GZBFAFLISA-N	247.357	4.597	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(C[C@H]2CCCC(C)(C)C2)C1	2082975439	IWHMIKTTYKOSTA-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H](C)C[C@H](N)CC1CC2(C1)CC1(CCC1)C2	2083612523	BDBNQUHFBCRDCU-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)CCc1nc2c([nH]1)[C@@H](C)CCC2	2085941772	UWFCTBFPNPSRAH-STQMWFEESA-N	248.414	4.608	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NCCCCCCC1CC1	2213572319	USZZTWTWBSXGOY-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@](O)(CCCCCCC1CC1)CCC(F)F	2213576703	SYHRZCBPACSXHG-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H]1CC[C@H](NCCCCCCC2CC2)C1	2213580005	IXJAUBXVMROVSJ-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC(C(=O)CCCCCCC2CC2)C1	2213580925	QFSOGWZEVFTRBZ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)CCCCC1CC1	2214572575	FKULEXJAAQNBER-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@@H]1CC1(N)CCCCCCCCC1	2215085963	VKAJFWRYMZSDOF-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@@H](N)C1CCCCCCC1	2215331195	KCPGFENALGTCEQ-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](N)(CCC(C)C)CC1(C)CC(C)(C)C1	2215393362	BMGFIEWGRKTENG-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CC[C@@](O)(CC1(C)CC2(CCC2)C1)C(C)(C)C	2215470134	WPPZHBIIJNBTHJ-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CCC(C)C)NC[C@@H]1CC=C(C)CC1	2215811050	ZHQCVTQEQLAVET-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](C=C(C)C)NCC)CC1	2216286649	WXQNLNWZRDMYNF-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC(=O)[C@H](C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216736019	FVUNTISEJLVPES-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)[C@H](C/C=C/c1ccccc1)NC	2219083279	CPZJVKQBUXYXHS-NOPRJXFKSA-N	245.410	4.504	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C1(CC2CCC2)CC1	2220025858	SONUUADEZNTLDU-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@@]12CCC[C@H]1C2	2220042929	AVYMOCUVMIXXDA-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCC1(N)CCC2(CCCCC2)CC1	2220849404	CKFOTSHSFVMOHW-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)C1(C)CCC2(CC2)CC1	2220882090	WBONULUJVIGFNL-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)C[C@@H]2CCC23CCC3)C1	2221023298	PJLLPEWMUCLXFM-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CCN(CC1(C)CC(C)(C)C1)c1ccc(C)cc1	2221091379	WPSPOQZWYOAZQN-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)[C@@]1(C)CC=C(C)CC1	2221627126	UJKNKUJVLDMNPW-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC1=CC[C@H](N[C@@H](C)[C@@H]2CCCC(C)(C)C2)CC1	2221669448	XJZNMOQFDXLMSV-XHSDSOJGSA-N	249.442	4.680	0	10	BJAE	
C1CC[C@H](CC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)NC1	2222918803	NXCFTZFUKDTKJD-MWDXBVQZSA-N	249.442	4.515	0	10	BJAE	
CNCCCC(C)=C[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222954079	HICXYSFAQIZAMQ-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
Cc1cn(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1C	2222978338	AKHJIILTNWNEDU-ZACQAIPSSA-N	245.410	4.711	0	10	BJAE	
CC(C)CC[C@@]1(CNC2CCC2)CC12CCCC2	2223548839	HVLQENDJMSMOID-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
Cc1cscc1NCC[C@H]1CCC[C@H](C)C1	2242789850	FDVKSTXONNTFOC-WCQYABFASA-N	237.412	4.685	0	10	BJAE	
CC[C@H](C)[C@H](N)CC[C@H](C)CCCC(C)C	2244871438	JLORRYAUMRUISO-QLFBSQMISA-N	227.436	4.602	0	10	BJAE	
CC[C@@H](C)[C@H](N)CCC[C@@H]1CCCCC12CC2	2246628483	YKIJJPWLIPRIAN-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CCC1(C)CC(N)(CC[C@H]2CCC[C@H](C)C2)C1	2246654409	AUMVACZYBBSUEO-QRNKSROTSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2CCC2(C)C)CC1	2247392628	YPILPHLLESCSEZ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C1=C(Cc2cccc3ccccc23)CCCC1	2247510451	DTDLHCJPNIILDJ-UHFFFAOYSA-N	222.331	4.883	0	10	BJAE	
CCCC[C@H](CC)Nc1c(F)cccc1CC	2248102755	RAYUKYDJLFAEOV-ZDUSSCGKSA-N	237.362	4.769	0	10	BJAE	
CCCC(C)(C)C(=O)CCCCC[C@@H]1C[C@@H]1C	2248818191	ZYNVLHIXXQNNFD-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC=CCCCNCC[C@@H](C)CCCC(C)C	2250494582	CDCLSUWYAZDPRM-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@]12CCC[C@H]1CC2	2251217172	FSXXDAFHQZWYGA-JYJNAYRXSA-N	238.415	4.678	0	10	BJAE	
CC1CC(C)(CC2(N)CCC3(CCCC3)CC2)C1	2253654246	JEQKXFNMOQPJRV-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C[C@@H]1CCCCC12CC2	2253802908	GCCSYZOLLYGQMC-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCC1(NCC[C@@H]2CCCCC23CC3)CCCC1	2253887720	YYQHOVTZRPCSPY-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C2CC(=C3CC3)C2)C1	2253934150	GGWPYMBVKDAODR-CHWSQXEVSA-N	246.394	4.662	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC1CC2(CCCC2)C1	2254072156	MWDATFQSLZWICF-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NC1CC2(CC(C)C2)C1)C1CCCCC1	2254146915	SSVCIGACLIGXBV-XOJNLIDHSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC(=O)C1C[C@H]2CC[C@H](C1)C2	2254582092	QZARHCCPJDPCPT-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@H]1CCCC12CC2)NCC	2255228505	STYXVPAORGGWMD-CFSAUIFESA-N	249.442	4.681	0	10	BJAE	
C[C@H](NC1CCCCCCCC1)[C@H]1CC12CCC2	2256439685	NYQSYYNDRVVWJF-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
C[C@H](CCC1CC1)Nc1cccc(C(C)(C)C)c1	2257906671	WSGLIBUVDBTFAF-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1C[C@@H]2CC[C@H](C1)N2	2259611998	FBSFVSQFQLJEGF-OIISXLGYSA-N	249.442	4.680	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@]12CCCC[C@@H]1CC2	2260485893	HQSDQVRPBFILSR-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@@]12CCC[C@H]1CC2	2260488186	HPOIXXFSJMNBQK-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)[C@H](C)Nc1ccnc(C(C)(C)C)c1	2260740572	RHNXRTXDWYHNLK-LBPRGKRZSA-N	248.414	4.616	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1=O	2261437349	ZNPGXEDLZYAZHF-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@](O)(C1CCCC1)[C@H](C)CC1CCC1	2298858046	LPWKSPSSFVHZNV-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1C(C)=CCC[C@H]1C	2300674883	ZFYMDJSLCZUTTI-VNQPRFMTSA-N	238.415	4.556	0	10	BJAE	
CCC(C)=CC[C@@H](NC)[C@@H](C)C1CCCCC1	2300880863	NDSIXOBCVFWEGN-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)[C@H](CC=C(C)CCCC(C)C)NC	2300936199	CJMCIINTSLVINJ-CVEARBPZSA-N	239.447	4.783	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)CC1CCCCCC1	2301131493	MORBEFWMGJPBBQ-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@@H](C)[C@@](C)(N)CC[C@H]1CCC[C@@H](C)C1	2301941859	LZHAXBOTJHOFLM-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)CCCC2=CCCCC2)C1	2302354662	UKCABIOFEBHLNQ-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)CCCCC1CC1	2302578468	ZTFVBASQHZXTAI-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CC1(C)CC(C)(C)C1	2302612107	VHZICUDOWFCYDL-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1NC[C@H]1CC(C)=C[C@H](C)C1	2302893709	XTZNXKLQGVYTNQ-WCQYABFASA-N	249.423	4.715	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@H]1CC[C@H]1C1CC1	2303055311	RBVKPXDUUPCORH-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@H]1C(C)(C)C	2303398592	MUUDUTXGHZUFKZ-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@H]1CC[C@H]1C(C)(C)C	2303513593	QQTGFPLVTHMTMQ-XJKCOSOUSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](O)C(C)(C)C(C)C)CC1	2303525049	MBEQZSLGRFOZSY-GJZGRUSLSA-N	238.415	4.556	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@H]1CCC(C)=C(C)C1	2303603191	PWEKSMOCCBORRX-RRFJBIMHSA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2304433896	AQQKSQRQAMGAOG-HUUCEWRRSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCNc2ccccc21	2307822945	ODHKBFOZMNZYOG-UONOGXRCSA-N	231.383	4.802	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCCC[C@H]1CNC	2307825563	CGNGGXBKPZVRPD-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C[C@@H]1CCC12CCC2	2307892679	FLOXCVGDZFYJMT-SOUVJXGZSA-N	238.415	4.534	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@H]1CCC[C@@H]2C[C@H]12	2309960456	NZMYYTPTPXNZDP-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(N)C[C@@]12CCC[C@@H]1C2	2310891437	PLWYLPVGKWZYKW-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@@]12CCCC[C@@H]1CC2	2313322035	ZETJXTPESPYAEP-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(C(=O)C2(C(C)C)CCC2)ccc1C	2314697432	OOOMKGOUJRCPAO-UHFFFAOYSA-N	244.378	4.566	0	10	BJAE	
CCc1cc(C(=O)C2CC(C)(CC)C2)ccc1C	2314713089	RWISBVGTJJNWMS-UHFFFAOYSA-N	244.378	4.566	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CCc2ccccc21	2316238782	NVFTWGHCTVYCJG-MRXNPFEDSA-N	244.378	4.502	0	10	BJAE	
CC(=CC[C@@H](N)[C@@H]1C[C@H]1C1CC1)CCCC(C)C	2316512045	ZAMGGDPPDQZQSH-GVDBMIGSSA-N	249.442	4.523	0	10	BJAE	
CC(=CC=C1CN[C@H]1C(C)(C)C)CCCC(C)C	2316537884	TWVWBFXWWZZGGB-MRXNPFEDSA-N	249.442	4.703	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1cccc(C(C)(C)C)c1	2316542299	OINQSLUOEWFTEA-MRXNPFEDSA-N	246.394	4.764	0	10	BJAE	
Cc1ccccc1[C@@](C)(O)CC1CCCCCC1	2316858617	MJZLECPAXTVRQV-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316881548	QVTUAOOOBKKKIC-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CC[C@H]1C1CC1	2317933756	JVGMZRRZHRJVKL-GJZGRUSLSA-N	247.357	4.550	0	10	BJAE	
OC1(CCCC2=CCCCC2)C[C@H]2CCC[C@@H]2C1	2318543194	ZPICMJHVYBGOLY-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1cc(F)ccc1C1CC1	2319176152	NODZUTMVGJHYAT-QWRGUYRKSA-N	248.341	4.568	0	10	BJAE	
CCc1occ(C)c1C(=O)C[C@@H]1CCC(C)(C)C1	2319292657	IEMHVTDDXPGQIV-LBPRGKRZSA-N	248.366	4.550	0	10	BJAE	
C1CCCC(CCN[C@H]2CCCC[C@@H]3C[C@H]23)CC1	2319330028	VBXXKAVYFSTACS-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)CCCC[C@H]3C[C@@H]32)CC1	2319454197	OPDGAPPJXDTUSA-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
CC[C@@](C)(O)C[C@H](c1ccccc1)C1CCCC1	2319671914	NJUIKUMREYPTML-IAGOWNOFSA-N	246.394	4.512	0	10	BJAE	
Cc1ccn([C@@H](c2ccccc2)C2CCCC2)c1	2319679530	HNKDLYDUJOXXPJ-KRWDZBQOSA-N	239.362	4.576	0	10	BJAE	
C=C=CC[C@@H](C[C@@H]1CC[C@H]1C(C)(C)C)NCCC	2320242593	DOIJTLAUCZRBCB-HRCADAONSA-N	249.442	4.548	0	10	BJAE	
CCCN(C[C@H]1CCC(C)=C(C)C1)C1CCCC1	2320388090	MXENRNVYSMPCMI-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1C[C@@H]1CCC(C)=C(C)C1	2320396409	IECJSYLIKUXLOA-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(N[C@H](CC2CC2)C2CC2)cc(C)c1C	2320700573	PVXISEWSAKTSDR-QGZVFWFLSA-N	243.394	4.602	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cc(C)ccc1C(C)C	2327676516	YEHXBHBRLXKWER-PBHICJAKSA-N	247.426	4.945	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@](C)(O)CC(C)(C)C)c1	2327696509	FTRWXDIGPSXZQT-KRWDZBQOSA-N	248.410	4.762	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCCC[C@@H]2C)cc1	19233041	XZTQXHXUNPYHHN-XJKSGUPXSA-N	231.383	4.630	0	10	BJAE	
Cc1ccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)c(F)c1	20371451	KNKJLKAYJOQPQT-OLZOCXBDSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)c1cc(C)ccc1C	35489541	JBHQLAYWNAHODA-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
CCCCNc1ccc(SC2CCCC2)cc1	37085936	GENZRTMZTMEOJN-UHFFFAOYSA-N	249.423	4.933	0	10	BJAE	
CC[C@H](Nc1c(C)cc(C)cc1C)c1ccco1	54106076	MDGWMFAOIGYEKF-AWEZNQCLSA-N	243.350	4.768	0	10	BJAE	
CCCCC[C@@H](O)c1cc(C)c(Cl)cc1C	70023804	UYEYRPDOMZWBSH-CQSZACIVSA-N	240.774	4.571	0	10	BJAE	
CCCCCC[C@H]1C[C@H](CCC)CCC1=O	71083873	FFUPTYJDQVYKOC-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
CC1(C)CCC[C@H](Nc2ccc3c(c2)CCC3)C1	79970920	YFQVNJVDFGDBEM-INIZCTEOSA-N	243.394	4.556	0	10	BJAE	
CCCCCCC(C)(N)CCCCCC	82222224	PLTUTNVOQOMMEL-UHFFFAOYSA-N	213.409	4.645	0	10	BJAE	
CC(C)(C)c1ccc(OCC2CCCC2)cc1	85151218	WNRCNVXVQXXQPM-UHFFFAOYSA-N	232.367	4.553	0	10	BJAE	
CC(C)c1cc(C(C)C)c2c(c1)[C@@H](N)CCCC2	88872903	ZMWCLZWLHCNXQY-KRWDZBQOSA-N	245.410	4.660	0	10	BJAE	
Cc1ccc(CCC2CCCCC2)cc1	90378281	JWGGHUASGFJMTE-UHFFFAOYSA-N	202.341	4.508	0	10	BJAE	
CCCC1CCC([C@@H](NC)C(CC)CC)CC1	94676694	ITIRNXJPKLMJLX-BCLQGDPASA-N	239.447	4.617	0	10	BJAE	
Cc1ccc2oc([C@@H](N)CCC(C)(C)C)cc2c1	97072503	AVUWYYHVWIJLQG-ZDUSSCGKSA-N	245.366	4.567	0	10	BJAE	
CCC(=O)CC[C@@H](CC)c1ccc(C)cc1C	107530204	JXTDDFKNXHYCQW-CQSZACIVSA-N	232.367	4.556	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CC[C@@H]2CCCC[C@@H]2C1	109946308	QRNUOVYHAGGVNC-JONQDZQNSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CN[C@H]1CC[C@H](C)c2ccccc21	124842120	JBBZGCAKHZOJHT-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CCCCCC[C@H]1CC(C)(C)CC[C@@H]1CNC	135188904	INYJFPJVZVWMFY-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](N[C@H](C)C1CCCCCC1)c1ccco1	149918863	AHVNCSWZESVYAB-HIFRSBDPSA-N	249.398	4.679	0	10	BJAE	
CC(C)CCC[C@@](C)(CNC(C)(C)C)C1CC1	166104384	HDAQWFSUQRGJKM-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](Nc1cccc(F)c1)c1cccc(F)c1	166405253	XBGOHWKBAJHQKX-OAHLLOKOSA-N	247.288	4.528	0	10	BJAE	
Cc1ccc(F)c(N[C@@H](C)CCC(C)C)c1F	214817427	RVJLCVIXGCNVPR-NSHDSACASA-N	241.325	4.510	0	10	BJAE	
CCCCCCN(CCC(C)C)CC(C)C	221826589	LVVUTUFNIHHZNE-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC[C@@H](NCC)[C@@H]1C	224982217	JIBCDUDABYTHQB-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
Cc1cc([C@@H](Cl)[C@H]2C[C@@H]2C)sc1Cl	226686622	KFWKENAJIYQSGF-GCHGDONOSA-N	235.179	4.646	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@H]1CCCCC1(C)C	226783265	NZBDIIDAJHEZTC-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@H](C)[C@H]2C)c1C	227003468	AJYPZYZJNYGKMM-BJJXKVORSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCC[C@@H](O)C1	227232655	ANSUJYVMNXLDFB-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
C[C@H](CC1CCC1)Nc1cccc2c1CCCC2	229668348	JPLOMFOSFZTIOS-CYBMUJFWSA-N	243.394	4.556	0	10	BJAE	
CCCCCCn1ccc2cccc(Cl)c21	232951803	RWDDHJAHBIIYOP-UHFFFAOYSA-N	235.758	4.875	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)c1c(C)cccc1C	233129276	HQCFUDIEMOYVMV-BBRMVZONSA-N	247.426	4.780	0	10	BJAE	
Cc1cc(F)cc(C)c1C(=O)CCC1CCCC1	235739486	GKUSNBYWWLOLHI-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
Clc1cccc2ccn([C@H]3C=CCCC3)c12	236073714	JDSOVTUZUYOWSI-LBPRGKRZSA-N	231.726	4.576	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](C)c1ccc(C)cc1C	251795338	KCWNXEQIYJVGHP-APHBMKBZSA-N	247.426	4.779	0	10	BJAE	
CCCC[C@@](CC)(CO)CCC1CCCC1	300778660	RDUHUEWORBNINQ-OAHLLOKOSA-N	226.404	4.536	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)c1coc2ccccc12	305958619	OEIZJDKCPYAOGB-GFCCVEGCSA-N	244.334	4.688	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H](CC)CC(C)C	308056161	BRUHJFOXOBOTDN-HRCADAONSA-N	241.463	4.993	0	10	BJAE	
CCCN[C@H](CC1CC1)[C@@H](CCC)CC(C)C	308057589	RINIRPMDSBLXKO-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC(C)(C)C(C)(C)C	310130361	AGJJAJWMALBXRV-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(COc2ccccc2C(C)C)cs1	310186808	PDKXKWMHGOPSJC-UHFFFAOYSA-N	246.375	4.759	0	10	BJAE	
C/C=C\CC1(CNCC)CCC(CCC)CC1	317227119	IDVZDFJUXCTLCK-DAXSKMNVSA-N	237.431	4.539	0	10	BJAE	
CCNCC1([C@@H]2C=CCCCCC2)CCCCC1	317300761	MLWIZISBCCQDQY-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@@H](CC/C=C\c1ccccc1)C(C)C	324298555	QBFSHRIVEBLFAK-UEOUDEGLSA-N	245.410	4.504	0	10	BJAE	
CCC[C@H]1CC[C@H](C2CCC(OC)CC2)CC1	328996726	JMOYCPSDEMHCFG-MSBXVQKDSA-N	238.415	4.798	0	10	BJAE	
Cc1cccc(C)c1NC[C@H](C)C1CCCCC1	380923962	DUZGCYWLEBYLRI-HNNXBMFYSA-N	245.410	4.932	0	10	BJAE	
CC(C)CCCCCC(=O)CCC(F)(F)F	383203167	ZPJVNRBUJIXCPY-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CN[C@@H]1CCCC[C@H](CCCCCC(C)C)C1	383240392	VDIYMGHVPVLCEW-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C[C@H]1CCC[C@@H](C)C1	383757196	DDOGLLSTTKVQPA-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)c1ccsc1	384848581	KREUJRCDTCMJAT-OAHLLOKOSA-N	249.423	4.679	0	10	BJAE	
CCC1([C@H](O)c2ccccc2C(C)C)CCCC1	386598168	KPYKSRFFLYCNAR-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
C[C@H]1CC[C@H](NCCC2CCCCCC2)CC1	394560013	FPPFHONYYDGNDD-KOMQPUFPSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc2sc(C(F)(F)F)c(F)c2c1	396289625	AMJCCVRPWRDQHE-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CCC1CCC1	398755275	GAIUIKTXQCKEOJ-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CCN[C@H](c1cccc(CC)c1)[C@@H](C)C(C)(C)C	399128202	RRCLMOQAXVYGBY-CJNGLKHVSA-N	247.426	4.582	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CC2	402230572	YJTOJDVOSNSZBI-DZKIICNBSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1C[C@H](CCCC2CC2)Nc2ccccc21	406088425	BERGDQUPLXEIJE-OCCSQVGLSA-N	229.367	4.555	0	10	BJAE	
CCC[C@@H](N[C@@H](C)C(C)(C)C)c1cccs1	686247210	CADYATZJLNAODT-NWDGAFQWSA-N	239.428	4.614	0	10	BJAE	
CCCC(=O)CCC1(c2ccccc2)CCCC1	686746161	IUHNCIAELCSGCK-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCC[C@H](Nc1cc(CC)ccc1CC)C1CC1	689613872	PAKWHHFHQFOJRV-INIZCTEOSA-N	245.410	4.802	0	10	BJAE	
CCCC[C@H](C)Nc1ccc(C2CC2)cc1	690169455	NLLPXAIIVYMWIQ-LBPRGKRZSA-N	217.356	4.555	0	10	BJAE	
Cc1cc(C)c(CCC2CC=CC2)c(C)c1	692104668	ATAUJMMLVVLBQY-UHFFFAOYSA-N	214.352	4.511	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1ccc(C)cc1C	696573331	PAAVNDDSEPONNX-OAHLLOKOSA-N	234.383	4.553	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C(C)(C)c1ccccc1	696594931	SMWAURKEKPROHP-HNNXBMFYSA-N	247.426	4.508	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1CCCc2ccccc21	696619593	LGWDKDYMMIHUPZ-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
CC(C)C1(C(=O)c2csc3ccccc23)CC1	697656635	RWBWDQBBCCLGMO-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H](CC)CC(C)C	697809165	KTZLXYXLEAWLCN-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CC(C)=CCCC[C@H]1CCC(F)(F)C1	698070969	ABMBFTVYUIHUFK-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
CCCNC[C@@H]1CCCCC[C@H]1CC1CC=CC1	700807275	HAJIEBZMEAKNFW-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(CC)c1ccc2c(c1)CC[C@@H](C)N2	701138110	OQGGLAJZZYSIEI-GFCCVEGCSA-N	231.383	4.511	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@@H](C)C1CCCCC1	703963528	MYUHHUSKSBVKHF-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)CC[C@](N)(CC)C1CCCC1	707604458	MACNBGSJHCGKBM-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]21)C1CCCC1	707800991	SRKYBBZPCVOOLI-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CC[C@@H]3CCC[C@@H]32)CC1	707876844	JIQKWOKSIAMALN-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CCNC(C)(C)C)C[C@@H](C)CC(C)(C)C	709076197	GBJDKYFOXJLRNQ-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H](C)CC(C)(C)C	709122383	ISQWPYZEYOEWPS-ZBFHGGJFSA-N	241.463	4.994	0	10	BJAE	
CCC[C@@](N)(C[C@H](C)C(C)(C)C)C(C)(C)C	710815413	WVEDAVJINCTSQY-SWLSCSKDSA-N	227.436	4.602	0	10	BJAE	
CCC(CC)C[C@@H](C[C@H](CC)C(C)(C)C)NC	711098470	VGBOOYSQCKVUHX-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](CCNc1ccccc1)C(C)(C)C	711182794	UVGIEYXBBHFPIN-ZDUSSCGKSA-N	219.372	4.561	0	10	BJAE	
CC[C@H](CC(=O)c1cc(C)cc(C)c1)C(C)(C)C	711184611	LBCZFEHNDAHSLO-OAHLLOKOSA-N	246.394	4.949	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@H]3CCCC[C@@H]32)cc1C	712415064	BLKUAGQBBDDYGP-HYVNUMGLSA-N	243.394	4.548	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@H](O)CC(C)(C)C	713171525	XJHPUGRQBZEHRN-NUEKZKHPSA-N	248.410	4.613	0	10	BJAE	
CCCC[C@@]1(CNC(C)C)CCC=CCCC1	719080401	UUVRKRMQMGIKTQ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1C[C@]1(C)CC	720953035	MSAPYCWXCNPTQG-PMPSAXMXSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1CC1(C)C)NCCC	723178065	JLKGXOMAENESDD-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@]2(N)CC[C@H]3CCCC[C@@H]3C2)CCCC1	723614229	VLSQHAVOWXFMOQ-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H](CSc2cccs2)C1	1165536587	AASUXMNTGBRKDK-GHMZBOCLSA-N	226.410	4.667	0	10	BJAE	
CCc1cccc(NC[C@@H]2C(C)=CCC[C@@H]2C)c1	1199505966	POBKKKLHHVEQNM-WMLDXEAASA-N	243.394	4.653	0	10	BJAE	
CC(C)(C)C1CCC(CN[C@H]2C=CCCC2)CC1	1620844588	ZTDHYLXNRQXGAR-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)CCNCC[C@H](C)c1ccccc1	1659927406	CDDMZSGKFTXLOQ-CVEARBPZSA-N	247.426	4.596	0	10	BJAE	
CCC[C@@H](NCC1CCC=CCC1)[C@@H]1CC1(C)C	1660054904	AVATTWKEDXUMOU-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)N(Cc1ccccc1)[C@@H](C)CC(C)C	1880408945	FUNQCCRFQDHRDE-HOTGVXAUSA-N	247.426	4.722	0	10	BJAE	
CC[C@@H](C)CC(=O)CCCC1=CCCCC1	1901969941	FHZZXVNKEXNARC-CYBMUJFWSA-N	222.372	4.662	0	10	BJAE	
Cc1sccc1OC[C@@H]1C[C@@H](C)C[C@@H](C)C1	1904931026	ISYHNMMNGINCTC-PJXYFTJBSA-N	238.396	4.508	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@@H](C)C(C)(C)C	1905431507	KPPSNRDHASMHCC-OLZOCXBDSA-N	226.404	4.844	0	10	BJAE	
CCCCCC(=O)CCC=Cc1ccccc1	1911680931	ZHLFKXYWEYIPKD-UHFFFAOYSA-N	230.351	4.629	0	10	BJAE	
CCC=CC[C@@H](CC)c1ccc(O)cc1C	1911913807	KQIDSRWKZSAOKZ-CYBMUJFWSA-N	218.340	4.551	0	10	BJAE	
CC(C)[C@@H](NC1CC2(CCCCC2)C1)C1CCC1	1912732435	NVKRKYXJIKNZGT-MRXNPFEDSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@](O)(CC)c1ccc(CC)cc1	1919611843	VXZJTKZGZGOTAZ-YOEHRIQHSA-N	248.410	4.673	0	10	BJAE	
CCCCCC[C@](C)(O)CCCC(C)C	1919960567	DQEBNGSFOLUMFQ-AWEZNQCLSA-N	214.393	4.534	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCCC1CCC1	1920204824	UWIKYQHLNAPFNF-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC[C@H]2CC2(C)C)CC1	1921416195	HUWMNXQAQHPVRM-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)[C@@H](CC[C@@H]1CC1(C)C)NC	1921566571	CAWGASLRIUPYME-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
NC[C@@H]1CCCC2(CCC2)[C@H]1CCCC1CCC1	1924897074	QYIRSYMOERHUKX-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cc(C)ccc1Cl	1925509987	JLAHGVGHRHSWGH-MNOVXSKESA-N	238.758	4.513	0	10	BJAE	
CCC[C@H](C(=O)CCC1CCCC1)C(C)C	1936207429	VUDLDJCLVBNTHI-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CCCCCC1CC1	1936421362	TXWYRHODBLWJBA-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(O[C@H]2CCC[C@@H](C)C2)c(Cl)c1	1936604579	JRFMJBZSMGAXNH-PWSUYJOCSA-N	238.758	4.606	0	10	BJAE	
CCC[C@H](CC[C@@H](C)CCC(C)C)NCC	1937175247	WBODOFBJTFLPNM-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C=C(C)CNC(C)(C)C)C1	1940182674	ZWQXKHPEFMXKBJ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1(CSc2ccc(C=O)cc2)CCCCC1	1940383851	WFBXLPLMPLEJLC-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC1(C[C@H](N)C(C)(C)C2CCC2)CCCCC1	1940416246	QJOUKDGHGCIHCH-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@@](C)(F)c1ccc(N)cc1)C(C)(C)C	1940973286	JUXAJLQWANKHNM-XHDPSFHLSA-N	237.362	4.526	0	10	BJAE	
CCC(C)(CC)CN[C@H]1CCC12CCCCC2	1941352581	AESPNGCCDCXQFS-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCNCC1(CC(CC)CC)CC(C)(C)C1	1941976463	JJGSPAVVAGDBEY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](C)[C@H](C)CNC(C)(C)C	1942665615	ZHHJQBAJFHTLRK-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@]1(C)C=CCCC1	1943136312	SNBDGHUTSBDXQS-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC[C@@](N)(C[C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)(C)C	1944206300	XLMWHFLRTHEDMA-ORIJERBGSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(C(=O)[C@@]23CCCC[C@H]2CCC3)s1	1944220754	HHOZOQFPAPAVTK-SWLSCSKDSA-N	248.391	4.600	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C(C)(C)C(C)C)c1	1944622916	NVAMYWNYFDPMRQ-OAHLLOKOSA-N	234.383	4.526	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)C1CC(C)(C)C1	1948156412	WOCVOGJLIKGIOZ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCC1[C@@H]2CCCCC[C@@H]12	1960871808	LMHPQXNNRFORQR-ZIAGYGMSSA-N	206.373	4.949	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc2cnccc2c1	1963228920	NBTRUVWTOUGRRT-OAHLLOKOSA-N	242.366	4.616	0	10	BJAE	
CCC[C@H](NC1CC[C@H]2C[C@@H]2CC1)C1CCCC1	1967833472	BUDXGOCYCIKVQT-ZOBUZTSGSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(OCC[C@H]2CCC[C@H](C)C2)cc1	1968269828	GAAINJSJVAFDIX-LSDHHAIUSA-N	232.367	4.590	0	10	BJAE	
Cc1cc(N[C@@H](C)CCCC(C)C)ccc1F	1968590906	AEYVDMZRAXWWHM-ZDUSSCGKSA-N	237.362	4.761	0	10	BJAE	
CC[C@H](Nc1cc(C(C)C)ccc1C)[C@@H]1C[C@@H]1C	1968603051	VMBLWHKXJZOFNV-IMJJTQAJSA-N	245.410	4.965	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCCC[C@H]2CC)C1	1968858527	CYAAENYXTKIXJJ-GYTBAZASSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](N[C@H](C)c1ccccc1)[C@H]1CC1(C)C	1969255832	KUFAWCVJPGNJMZ-FVQBIDKESA-N	245.410	4.552	0	10	BJAE	
C[C@@H](NCCC1CCCCC1)C12CCC(CC1)C2	1973844586	KVAQBKULRAHBMV-ODIFPOPNSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CCCC(C)C)C1CCCCC1	1975997279	IGIATQHNSWNAQW-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC1CCC(C)(c2nc(C(C)C)cs2)CC1	1983316502	NVPIQWUOJBFENJ-UHFFFAOYSA-N	237.412	4.734	0	10	BJAE	
FC1(F)CC12CC(C[C@@H]1C=CCCCC1)C2	1984270456	RPILERQEQPDWCG-PNESKVBLSA-N	226.310	4.558	0	10	BJAE	
CCCCCC[C@@H](O)CC1(CCC)CCC1	1988462902	APOPZEFWRIVAMY-CQSZACIVSA-N	226.404	4.678	0	10	BJAE	
CCCC[C@@H](C)c1nc(CC2(C)CC2)cs1	1995470385	WWDPWPJJSWCPEO-LLVKDONJSA-N	237.412	4.779	0	10	BJAE	
C[C@@H](CN(C)C1CCCCCC1)CC(C)(C)C	1995781383	LEQHEXMLDZMNLZ-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@@H]1CC[C@H](C)C1	1996260331	NRSIKEJGZWQGEE-ZJIFWQFVSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C[C@@](C)(N)CCC1CC1)C1CCCCC1	1996363501	ARKFJHZDJSYLMP-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCSc1ccccc1NC[C@H]1C[C@H]1CC	1996572438	DKHFNULCHBUTFE-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C(C)(CC)CC)CC1	1997116131	JFERISLSBGHUIR-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@]1(C)CC=CCC1	1997547071	SRXKCQHGAXRZDL-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C1(O)CCC2(CCCCC2)CC1	2000286538	FKHRMMIEPPEICQ-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1C(C)=CCC[C@@H]1C	2000292826	GMQBCTIBKVQFNT-ZFWWWQNUSA-N	236.399	4.764	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CC12CCCCC2)C(C)(C)C	2001252287	AQBAAIHMDAEQDC-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@H]1CC12CCCCC2	2001252792	FMKCEMKHDZVUKD-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCCNCC(=C[C@@H]1CCCC(C)(C)C1)CC	2002992964	HDKFTXWBLHTUBH-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCNC[C@@]1(CC(C)C)CCCC(C)(C)C1	2002993793	NUBRRYZHWRAWFG-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C[C@H](N[C@H](C)C(C)(C)C)[C@@H]1CCCC(C)(C)C1	2003005021	JBDXQDZXACZIJS-BFHYXJOUSA-N	239.447	4.616	0	10	BJAE	
CCCCCC1CCC([C@]2(O)C[C@H]2CC)CC1	2003104835	ZEKPNXDCNZSAPA-KNIAUWFNSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](O)C[C@H]1CCCC2(CC2)C1	2003189339	BBYZXBKZVNHQJP-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@](O)(CC)C[C@H]1CCCC2(CC2)C1	2003189908	GGHYTTUVORASJZ-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)c1cccs1	2003681356	QRNZBZHAOSUAEX-AWEZNQCLSA-N	249.423	4.679	0	10	BJAE	
C[C@H](NC1CCCCCCCC1)C1(C)CCC1	2004840406	OZVVYCCGOGHTHM-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CCC(CC)C[C@@]1(CN)CCCCC12CCC2	2005600962	KOVVLSCDXLOSEK-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CCN[C@H]1C[C@@H](C(C)(CC)CC)C[C@@H](CC)C1	2006628964	DIYKYTCFWYUFAX-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@H](O)C1(C)CCCCCCC1	2006714190	NQQOUCJGVNZTDG-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@H]1CCCC[C@@H]1F	2006739864	CJDAWLYLPACNGO-RDBSUJKOSA-N	242.378	4.546	0	10	BJAE	
CCCCCC[C@@H]1CC[C@H](C)[C@H](NCCC)C1	2006960307	YJGYEKQSTMDPHB-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@@H](N)C=C1CCCCC1	2007940101	NTWXHQDZWDBDCA-HOTGVXAUSA-N	237.431	4.523	0	10	BJAE	
CC(C)[C@]12CC[C@H](Nc3ccc(Cl)cc3)[C@@H]1C2	2009130407	JTZKDBFRSPHKIX-SOUVJXGZSA-N	249.785	4.577	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCC(C)(C)CC[C@H]1N	2009404319	MHZGQMUMWMEVBX-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
C/C=C/CCCC[C@@H](NCCC)C1CCCC1	2009625586	AXRBMZIDCOGRCK-LLCTXKFZSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCCC1(CNCC)CCC(C)CC1	2009629081	PRIVBGDOSFHLBE-GQCTYLIASA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@]1(CC2CCC(C)CC2)CCCN1	2009770408	QDPBORYNASWRQF-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
CC[C@](CNC(C)(C)C)(CC1(C)CC1)C(C)C	2012415777	DYOSPDKWBHUFNK-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC12CCC(CC1)C2	2012822421	JICMRMFYVPEUGU-SIWZUTFBSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](C)(CNC(C)C)C[C@H](C)C(C)C	2015397776	JDLVVWHRYWRWAM-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCCC1(C[C@H]2CCC[C@H](CCN)C2)CCC1	2015644510	NOQBSXHFFVBMOR-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CCCC1(C[C@@]2(CN)CC[C@H](CC)C2)CCC1	2015645293	SHAMDTWEBPYQKH-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2CCCS2)cc1	2016795633	HWNOXGIMIXXJNF-WFASDCNBSA-N	249.423	4.508	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)[C@H]2CCC[C@H]2C)CC1	2017663465	TXTCOKZOJJDHSK-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C[C@@](C)(N)CC2CCC2)CC1	2017731397	QYFWOIFTCFDLMQ-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@@H](N)[C@@H]2CCCC[C@@H]2CC)CC1	2018923815	HDURRYAZCDFMGD-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CC1(CC)CC1)C1(C)CCCCC1	2018994444	LASMIBANEOBPTC-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@]1(C)CCCN(CCCCCC(C)C)C1	2019340603	PZPNROFGPOEACY-MRXNPFEDSA-N	239.447	4.715	0	10	BJAE	
CC=CCCCN(CCC)C1CCCCCC1	2020507871	LTFHAYBYPUZRNO-UHFFFAOYSA-N	237.431	4.778	0	10	BJAE	
CC(C)C[C@@H](C)N(CC(C)C)C1CCCCC1	2020537988	VNVPGMXXSHDEIS-OAHLLOKOSA-N	239.447	4.712	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1C[C@H]1C1CCC1	2022316125	ORDXGUCLXRNGNT-QEJZJMRPSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1ccccc1SCC	2022492110	HEZOKCLNFPSGAW-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2022992835	LMCJMWYBJLWKTC-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC)CCCCCC(C)(F)F	2023299973	QZABMFAZMFDODK-CYBMUJFWSA-N	249.389	4.760	0	10	BJAE	
CC(C)CCCCCN[C@H]1CC[C@H](C(C)C)C1	2025577070	AYCDYQOGQCDKGL-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCC)[C@@H]1CC1(C)C	2026163139	INMXSALIBJBBJW-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NCC)[C@@H](C)C(C)C	2026163859	OAZYCKDNJVDCSZ-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCCC[C@H]1c1nc(CC2(C)CC2)cs1	2026537397	DLMOWDYLBAHKIS-WCQYABFASA-N	249.423	4.779	0	10	BJAE	
CC1(C[C@@](C)(F)c2cccc(N)c2)CCCCC1	2027946676	AYXGSMXRMJAVLB-MRXNPFEDSA-N	249.373	4.814	0	10	BJAE	
CC[C@H]1CC[C@@](CNC)(CC2CCC=CCC2)C1	2028869905	LUVIOCODTIGDHC-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC(C)CCC[C@H](O)c1ccccc1CC(C)C	2028916613	ARTKCWPBQIWZFO-KRWDZBQOSA-N	248.410	4.745	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]3C2)cc1	2029081090	OHWZZYMLCQSBER-FAYQHZLMSA-N	243.394	4.801	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CC1(N)CCCCCC1	2029173461	GHMFDPVKUTYUFR-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
O=C1CCC[C@H](c2ccc(C3CCCC3)cc2)C1	2031746737	OPRGODLVKQYVQJ-INIZCTEOSA-N	242.362	4.571	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CC[C@@H]2C[C@H]2C1)C1CCCC1	2032296236	CDJUWEDHBUWBDG-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)C(C)(C)C1CCCC1	2032345864	HSMWDFRSLWCBEC-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C1CCCCC(NCC2(C3CC3)CC2)CCCC1	2035890862	HZYJLSXKFJVMEX-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC2CC2)CC12CCCC2	2036093706	AUNNTJJLGDNWRO-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cccc2c1CCCC2	2038353610	GOZKJAVCBGPGHU-OAHLLOKOSA-N	243.394	4.556	0	10	BJAE	
CC1([C@](C)(N)CC2CC3(CCC3)C2)CCCCC1	2039873033	SGMPZNGVGJIYDV-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CC1=CCCCC1)C[C@@H]1CCC=CCCC1	2045324458	WCPMVQYRQJDXFC-WBVHZDCISA-N	247.426	4.731	0	10	BJAE	
CCCC1([C@H](C[C@@H]2CC=CCC2)NCC)CCC1	2045800241	TWUBOHWWCKSGGD-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C1(C(C)C)CCC1	2045817312	BJSOJQGLSNBEJL-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H]1C[C@H]2C=C[C@H]1CC2	2045982478	SVKXCEIHNVKMSL-NXOAAHMSSA-N	249.442	4.524	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C1CC2(CCC2)C1	2046004806	KZHMIEHJHCLRNF-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@@H](C[C@H]2CC23CCCC3)NCC)CC1	2047023274	KUZBTWCZEFNZMX-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C[C@H]1CC12CCCC2	2047061715	HWVOQZDLAXKMDX-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
N[C@H](C[C@H]1CCC12CCC2)C1=CCCCCCC1	2047931866	ILNHXGOBLHZMBB-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1[C@H]2CCCCC[C@H]12	2048363568	QOASAQNNJJVILN-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](NC1[C@H]2CCCCC[C@H]12)C1CCCCC1	2048386163	XCQSMLUOQKAXGN-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2[C@H]3CCCC[C@H]32)cc1	2048475587	SUYITHDGJYICEF-BJWYYQGGSA-N	244.378	4.625	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CC1CCC2(CC1)CC2	2049846054	PFLALRMCGCAHKG-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC2CCC3(CC2)CC3)C1	2049947023	CICRLDACOWVTHR-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCCCCCC1CC1)c1ccccc1F	2050494278	HPDZMWUPCDSVTQ-MRXNPFEDSA-N	249.373	4.576	0	10	BJAE	
CC(C)(CCCC(=O)c1ccccc1F)C1CC1	2050495741	XILZJJPNRNMIDQ-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1C[C@H]2CC[C@H]1C2	2051409155	OOXAEMGXVNMIOO-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@H](CNC2CC2)[C@H](CC=C(C)C)C1	2051409848	VKEVMPBEXRJMNS-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)[C@H]2CCCCC23CC3)CCCCC1	2053409610	AWCVOAGCNZKKAX-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCC1CCC([C@]2(CN)CCCCC23CC3)CC1	2053413330	WZCMLDPCXRKVOO-VMBOVVBDSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H](C1CC=CC1)C1CCC(C)(C)CC1	2053666470	FZBBQVGCAZHVQG-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc([C@@H]2CC(=O)C[C@@H](CC)C2)cc1	2055135329	APSBZEVQGGYYDO-BBRMVZONSA-N	244.378	4.502	0	10	BJAE	
CCc1ccccc1C(=O)C1(C)CCC(C)CC1	2056535286	AJGNYXIRKHKBCU-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)C1(C)CCC2(CC2)CC1	2056538604	YGBOUFZTHNKMBX-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCC1CC(CC2(N)C[C@@H]3CCCCC[C@H]3C2)C1	2056641286	XZOOFRXIOLQWQA-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCN(CC1CC(C(C)C)C1)c1ccc(C)cc1	2056756144	ISWBXICDBPRKOW-UHFFFAOYSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](C=C2CCCCC2)NC)C1	2056875019	BXTJEOWYOZXSDP-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@]12CC[C@H](NC3CCCCCCC3)[C@H]1C2	2058567028	TYWSMBXSUBNMPC-IXDOHACOSA-N	249.442	4.514	0	10	BJAE	
CCCCCC1CC(Nc2ccc(F)cc2C)C1	2059398007	PMZVWPCBJFPXRW-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](N)(C2=CCC(C)(C)CC2)C1	2061112648	HZMFJJQFZOXXLM-SUMWQHHRSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(N)C[C@H](C)CC[C@@H]2C)CC1	2061122424	ORCNTQLKQSIAIY-JYYAWHABSA-N	249.442	4.523	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](N)CC1CC(=C2CCC2)C1	2061703454	FQXRGIVIMXARPG-INIZCTEOSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC(CCC2CC(=C3CCC3)C2)C[C@@H](C)O1	2061723416	REMIDDAKUJVLHS-CHWSQXEVSA-N	248.410	4.861	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CC1CC(=C2CCC2)C1	2061738081	YNCRRSBQXRAIFL-SJORKVTESA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](N2CC[C@]23CC[C@H](C)CC3)C1	2062760400	HJBBXEVFYQOCRA-YQQAZPJKSA-N	249.442	4.610	0	10	BJAE	
CC=CCCC[C@@H]1C[C@H](NCC)CC2(CCC2)C1	2063629348	ZDBDZGIORDXYIO-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC2(CC(C(=O)[C@]3(C)C=CCCC3)C2)C1	2063807052	BWUUNJGVTZWXBA-MRXNPFEDSA-N	246.394	4.518	0	10	BJAE	
C[C@H](CCC1CC1)NCCC12CCC(CC1)CC2	2065259417	MOJDLGMIHQUZID-ODIFPOPNSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(NC2CC(CC(C)(C)C)C2)c1	2067983300	RCBHBINUCLOGLW-UHFFFAOYSA-N	245.410	4.876	0	10	BJAE	
CC(C)(C)CC1CC(N)(CC2CCC=CCC2)C1	2067985676	DVSPLLYLVXEHNH-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CC(C)Cc1ccc([C@@H](N)C[C@@H](C)C(C)C)cc1	2069004018	PZFHLSPPWYYLMI-PBHICJAKSA-N	247.426	4.567	0	10	BJAE	
CC(C)=CCC[C@](C)(N)[C@H]1CCC2(CCCC2)C1	2070296259	QZFKNOJGMBDEQZ-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@]23CCC[C@@H]2C3)Nc2ccccc21	2070867837	JJCHMQZJFIHDJU-WBOJAVRRSA-N	241.378	4.555	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@H]1CC[C@@H]1C1CC1	2071797498	HQKCZTIHDNECEJ-HIFRSBDPSA-N	243.394	4.585	0	10	BJAE	
CN[C@H](CC1(C(C)(C)C)CCC1)c1ccccc1	2071941933	YUWWNAPYTPTQSK-OAHLLOKOSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C[C@@]23CCC[C@H]2C3)CC1	2072704703	QJDVKNRRHBBIND-VIQHNZTISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2CCC3(CC2)CC3)CC1	2072872164	YIEUIWMTKYLBHH-HDJSIYSDSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@](N)(CC)c1cc2ccccc2o1	2073340143	DOEDSGNVBOUPOD-MRXNPFEDSA-N	245.366	4.577	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@]12CCCC[C@H]1C2	2074028510	HUKXOALAWUPVFN-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
O=C(C[C@@]12CCCC[C@@H]1C2)C1CCCCCCC1	2074092510	XWKDXHWAFRZOBX-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CC=C([C@H]2CCCC(C)(C)[C@@H]2NC)CC1	2076395335	JQMRSDUCDHTYRC-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CC[C@@H]3CCC[C@@H]32)c1	2077265659	YYJPLUHDIUMQLZ-YLQAJVPDSA-N	241.378	4.555	0	10	BJAE	
CCCCCc1ccc(-c2cc(C)ccc2N)o1	2077975957	NNIUPVHNQXZVPV-UHFFFAOYSA-N	243.350	4.570	0	10	BJAE	
CCC1(NC[C@H]2C[C@H]2C2CCCCC2)CCCC1	2079640678	NHFMSSPGTGRZAQ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2C[C@H]2C2CCCC2)C1	2079664048	CUWIVQCYYPEBKD-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(OC[C@@H]2C[C@@H]2C(C)(C)C)cc1	2079814764	OTTXYBSCKJCIED-HOCLYGCPSA-N	246.394	4.871	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C[C@@]1(N)CCC12CCCCC2	2079869098	BSBUOKNFTZADHQ-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@H](C)Nc1ccccc1F	2081219166	QIRYFYBKTZHBJR-LBPRGKRZSA-N	243.325	4.561	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@@H]1CCCC2(CC2)C1	2081784789	GWNSKZGEVCQZTH-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1=CCCCCCC1	2081787218	UTFWMBUOWWTDRJ-KRWDZBQOSA-N	249.442	4.992	0	10	BJAE	
CCC1(C(=O)c2cccc(C(C)(C)C)c2)CCC1	2083542610	YLANVEQSBRPKQB-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1cccc(CC)c1	2086042905	ALKHDGRFAVKKAH-WMLDXEAASA-N	248.410	4.889	0	10	BJAE	
C[C@@H](CC1CCC1)NCCCCCCC1CC1	2213571651	LGDLCNWZOCJYEI-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CCCCC1CC1	2214566088	SLDYULOSLYRETL-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)CCCC(F)F)CC1	2216421469	SKVRFTFDMUXRFM-HAQNSBGRSA-N	246.341	4.597	0	10	BJAE	
C[C@H]1CCC[C@]1(O)CCCCCCCC1CC1	2216865178	WFMZSWGCVUXVMD-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@H](C)[C@]1(CN[C@H](C)CC)CCC1(C)C	2217137139	JVQAGPOQAARCRN-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)C/C=C/c1ccccc1	2219096330	UXUCYMLWKQVGSS-KIIBNJGVSA-N	245.410	4.504	0	10	BJAE	
CC1=CC[C@](C)(NCCCC2CCCCC2)CC1	2221600558	KFZKPYZFHKAAQK-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1=CC[C@](CCC(C)(C)C)(CNC2CC2)CC1	2221669032	UFRQLZVQLYSREB-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@@H]1[C@H]2CCC[C@H]21	2223123634	NGSWJVMQODDJJR-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)NC[C@H](CC(C)C)c1ccc(C)cc1	2223598562	PSDAYGPGXKBACT-WBVHZDCISA-N	247.426	4.513	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1ccc(C2CCC2)cc1	2223701010	GGBZAJNGNQTKLF-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
Cc1cc(NCCCCC[C@H]2C[C@@H]2C)cs1	2243910570	ZYMDBBHTCFCOKM-AAEUAGOBSA-N	237.412	4.685	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cc(C)cc(Cl)c1	2244782899	OOEPKBHUNXBASA-SMDDNHRTSA-N	240.774	4.508	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc2ccsc2c1	2246127462	PZFNVMFWTOECEK-JTQLQIEISA-N	232.348	4.520	0	10	BJAE	
C[C@@H](CCCCN)CC[C@@H]1CCCCC12CC2	2246634819	UPXXAQFVXFEJMX-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CCN[C@H](CCCCC[C@@H]1C[C@@H]1C)CC(C)C	2247129519	OWIJDAFNPRQNTG-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC[C@H]1C[C@@H]1C)C(CC)CC	2247163168	FNGIJXRTTVBQOH-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](O)[C@H](C)CC(C)(C)C	2247166524	PPYLQPTVDYCMLY-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C[C@H]1CCC1(C)C	2247306102	GNJDWSVDUKSMQR-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
Cc1sc(C)c(C/C=C/c2ccccc2)c1C	2248277417	GQYXZWLRMWEZEW-JXMROGBWSA-N	242.387	4.929	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC1CCC(C)(N)CC1	2248869651	IYMQXGUHCUBDFX-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CCCCC[C@@H]1C[C@@H]1C)C1CCC1	2248876668	CGLAOWRHVJKYMO-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H]1CC[C@@H]1CC[C@H](C)CCCC(C)C	2250478511	JUHAVLHUCKRAQF-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)=CC[C@H](N)CC[C@@H](C)CCCC(C)C	2250528641	NRDXNYOONAWQPD-HOTGVXAUSA-N	239.447	4.913	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@@]12CCC[C@@H]1CC2	2251196283	DJNKNRJQVZQHDQ-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCC1(C[C@]2(O)CC(C)(C)CCC2(C)C)CC1	2251679470	UGGYMMLRVSRQHM-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H]1C(=O)C(C)(C)CCC1(C)C	2251707570	MTBJFUVHCWOLCI-XQQFMLRXSA-N	238.415	4.700	0	10	BJAE	
CC(=CC[C@@H]1CCC[C@H](C)C1)[C@H]1CC[C@H](N)CC1	2253932305	BBDYLWRAFONTJC-HJWJTTGWSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)[C@@H]2CC23CCCC3)C1	2253937602	WQQNWWNFVJNVPY-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCC1(CNCC2CC3(CCCC3)C2)CCCC1	2254085186	ZVIOCLSANUUCOR-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1(N)C[C@@H]2CCC[C@H]2C1	2257317672	YWVKCZNGJHIQJE-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@]12CCCC[C@@H]1CC2	2260511833	KNTSENZWLCYVMU-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
C[C@H](CC1CCCC1)NC[C@@]12CCCC[C@H]1CC2	2260552978	KGRVYKYJIQRVKI-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H]1C(=O)c1cccc(C2CCCC2)c1	2260729092	ISBSAGBDMQOPNR-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CC1CC(CC[C@@H](O)c2ccccc2C(C)C)C1	2261504979	CHGFSZOPXCYBTE-MQBCKMQZSA-N	246.394	4.670	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@H](C)CC1CC1	2298878477	LKSYNGLEOAFFDG-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)[C@H](C)CC1CCC1	2298921834	YACFEQGEYXJEOP-BMFZPTHFSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C[C@H]1CCC1(F)F	2299039416	DVTZZWMYRMQIBU-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC[C@](C)(C(=O)CCC1CCCCC1)C(F)F	2299832696	MROOYNQIABXGLK-CQSZACIVSA-N	246.341	4.597	0	10	BJAE	
CC(=CC=C[C@@H](CN)C(C)C)CCCC(C)C	2300903888	JHPWMOROPVJIFX-INIZCTEOSA-N	237.431	4.546	0	10	BJAE	
CCC(C)=CCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1N	2300909600	PSYWOJHLHPPFIA-ZNMIVQPWSA-N	237.431	4.523	0	10	BJAE	
CC(=CCCCNC(C)(C)C)CCCC(C)C	2300911642	LZWFSQNGIHXOLJ-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
CC[C@H](C)c1ccc(NC2[C@@H](C)C[C@@H]2C)cc1	2300945687	UVLVFXNYJFOMAM-AVGNSLFASA-N	231.383	4.657	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2[C@@H](C)C[C@H]2C)cc1	2300945689	UVLVFXNYJFOMAM-FOCJUVANSA-N	231.383	4.657	0	10	BJAE	
CCN[C@@H](CC)[C@@H](C)CCCC1=CCCCC1	2302347455	QVHUSBSVBROLPF-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@H]1CCC(C)=C(C)C1	2303520086	AECXFIOGXQXTJT-HRCADAONSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC[C@@H]1C[C@H]1CC	2303587589	IWDVMOXGPPMQLT-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](O)C2CCCCC2)C1	2304351696	KAGIBSIKLPDZGZ-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(O)CC[C@@H]1CCC(C)(C)C1	2304352176	PAGRMJIYNPLARQ-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CC[C@@H]1CCC(C)(C)C1	2304393295	FHVCIAFCAHYFOE-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)[C@@H](CC[C@H]1CCC(C)(C)C1)NC	2304412053	RCTFLMPLMBISIB-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CCC1CCC1)NCC	2307818197	YCWUOONXSOOZLE-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)CC1CCCCCC1	2307832330	SBFREYYDFGGZKY-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1C[C@H](C)C[C@@H](C)C1	2307926728	QIIFWAMYWUNGLX-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc2c(c1)CC[C@@H](CCC[C@H]1C[C@H]1C)N2	2312638592	BVZTVJNSVQUDFF-IJEWVQPXSA-N	243.394	4.548	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@]23CCC[C@@H]2CC3)CC1	2313339632	QBVIRGXNJDKQAK-OIISXLGYSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1CCc2cc([C@H](C)CC3CCC3)ccc2N1	2313641337	IVZICBVLENHXCH-OLZOCXBDSA-N	243.394	4.727	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H](F)C1CCC1	2315874111	DRQCSFICTQIQBY-HNNXBMFYSA-N	249.373	4.669	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2315951107	BTPUNFKTJYBNFJ-LUKYLMHMSA-N	249.442	4.523	0	10	BJAE	
CCC(CC)CC[C@]1(CNC2CCC2)C=CCC1	2316251855	PHCJCHHZNCXCDD-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(CC=C(C)CC)CCCC12CCC2	2316489037	JPBZEUIFZBZKEQ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC(=CCN[C@@]12CCCC[C@@H]1C2)CCCC(C)C	2316494158	ZZQNKHIDJGUUBF-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1C[C@@H]1C1CC1)CCCC(C)C	2316512048	ZAMGGDPPDQZQSH-ZACQAIPSSA-N	249.442	4.523	0	10	BJAE	
CC(=CCN1CC[C@H]1CC1CC1)CCCC(C)C	2316516430	GLKSCAHVQGOUIW-KRWDZBQOSA-N	249.442	4.633	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2316793826	ZIOMASIJBRWTKK-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H](C)C1[C@]1(N)CCCCC12CCCCC2	2317086686	VAXLDSVTUIYGBG-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCC1CC1)CC1C[C@@H]2CCC[C@H]2C1	2318875226	WEJHSUJESLRWHS-HOTGVXAUSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@](C)(CNC[C@H]2CCC(C)(C)C2)CC1	2319103044	YHZKFZDDNRFYBG-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc([C@H](N)CC[C@@H]2CCC(C)(C)C2)cc1	2319316378	BJECAWSRFULJMX-GDBMZVCRSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CCCC[C@@H]2C[C@@H]21	2319741028	MZRANMPWCFSSNL-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(C[C@H]2CC[C@H]2C(C)(C)C)C1	2320246480	JLMIRCCIVCXFAM-KCYZZUKISA-N	249.442	4.523	0	10	BJAE	
CCC1(CC)CC(N)(C[C@@H]2CCC(C)=C(C)C2)C1	2320333589	ICNYPTWEEJHHAB-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)CCCC23CCC3)C1	2321603478	SFOXOKDPISOTGZ-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1cc(C)ccc1C(C)C	2327673346	OJFVCOYKKYEXJY-MRXNPFEDSA-N	247.426	4.815	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)CC[C@@H]2C[C@H]2C)c1	2327787350	UWQVCROQAXNXQG-CKEIUWERSA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)c1c(C)cccc1C	2328273600	OCWMNJSGCDONQF-HOTGVXAUSA-N	247.426	4.780	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccc(F)c(F)c1	20520049	VWLSFROKWWSCKB-LLVKDONJSA-N	241.325	4.736	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC2CCCCC2)cc1	20545113	RPCSOZMPYBRFDR-AWEZNQCLSA-N	245.410	4.793	0	10	BJAE	
CCCCC[C@H](C)NC[C@H](CC)CCCC	21055647	VZAMQBJCSALNHW-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCCCC[C@H](C)Nc1cccc(COC)c1	36918132	GFKPCIHNJLLWOS-AWEZNQCLSA-N	249.398	4.604	0	10	BJAE	
CCC[C@H](CC)N[C@@H](C)c1ccc(Cl)s1	50401443	LGSUDUODJRMDGJ-UWVGGRQHSA-N	245.819	4.631	0	10	BJAE	
C[C@@H](Nc1cccc(C(F)(F)F)c1)C(C)(C)C	59042831	BYPMOTOUCVQSGA-SECBINFHSA-N	245.288	4.552	0	10	BJAE	
CCCC[C@@H](CC)CCC[C@@H](CCC)NC	70745497	BOVBMNUDYWMOBG-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cccc3ccccc23)C1	80425592	RZAMZQUMZHYPHT-HIFRSBDPSA-N	239.362	4.830	0	10	BJAE	
CCc1ccccc1O[C@H]1CCCC[C@@H]1CC	85151036	ANQXVGNPBCRWGB-HOCLYGCPSA-N	232.367	4.597	0	10	BJAE	
CCCN[C@@H](CC(C)C)C1CCC(C)(C)CC1	87943662	QJENOPHSWHFFGI-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C(CC)CC)C1CCC(C)CC1	94676453	TVTSODOCYBOPHL-AVVWSFFYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@H]1CC=CCC1	94985228	NYNUXZAYWRNJOD-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1ccc(C)cc1C	109784796	CYGMLHSPPTZEMI-GDBMZVCRSA-N	234.383	4.553	0	10	BJAE	
C[C@H](N[C@@H](C)C(C)(C)C)c1cc2ccccc2o1	122465522	CWALSANZHNGJEL-RYUDHWBXSA-N	245.366	4.518	0	10	BJAE	
CCCC(CCC)[C@H](O)C1C[C@@H](C)C[C@H](C)C1	124627979	LKBKKQFYHJUQEL-XEZPLFJOSA-N	240.431	4.636	0	10	BJAE	
CCc1cccc2ccn(Cc3ccc(C)cc3)c12	128446538	VQLZHTRWWQFIJL-UHFFFAOYSA-N	249.357	4.560	0	10	BJAE	
CCCN[C@H](CCC1CCCCC1)C1CCC1	131189551	FXZBOQUZZIJXAG-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(Cl)cc1Cl	143299502	MFFNTVZJESFBLD-ZETCQYMHSA-N	203.112	4.507	0	10	BJAE	
CCCC1CCC([C@H](N)CC(CC)CC)CC1	148406956	SAWANFCNZYYPDW-UYSNPLJNSA-N	239.447	4.747	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCC(C)(C)C[C@@H]1C	155928325	PUCLKUSTAQWRNB-FZMZJTMJSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@@H](CCCCC(C)C)CC(C)C	165502456	UZRRRZFEVQFRIZ-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](NCC)C1CCCCC1	167186996	MIUQLVMVBKXNEX-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)NC/C=C\c1ccccc1	214933893	BIYVDESZNXGARS-RQPMMQJISA-N	245.410	4.504	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1ccccc1C(C)(C)C	229270458	LCCYPGUPVQAUAB-BBRMVZONSA-N	248.410	4.844	0	10	BJAE	
C[C@@H](c1c[nH]c2c(Cl)cccc12)C(C)(C)C	235231443	LBDCBMMCUINKQG-VIFPVBQESA-N	235.758	4.971	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1C[C@@H](C)CC[C@H]1C	250437935	OHLYJIPSPIDBRZ-WOSRLPQWSA-N	245.410	4.794	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H]1CC[C@@H](C)[C@H](C)C1	253173295	LLDCIWYMWWFIKL-MUIFIZLQSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CCCC(C)(C)C)NCCC	300944528	WNMCOPAKLBJNQF-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CCC[C@@H](C2CC2)C1	302336635	UDDFGSQTKBVFJC-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)C1CCC(CC)CC1	302359344	KUHANJFFXRBWBZ-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@H](O)C(C(C)C)C(C)C)c(C)c1	302509320	BRFMGLJZDRFCAM-QGZVFWFLSA-N	248.410	4.573	0	10	BJAE	
Cc1cc(C(F)F)cc2scc(Cl)c12	306615490	PJNAGWQFIRISPW-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@H](CC(C)C)c1nc2cc(C)c(C)cc2[nH]1	308050434	BARCNMGJTFGNBS-CYBMUJFWSA-N	244.382	4.719	0	10	BJAE	
CCC(C)(C)c1csc(-c2cccs2)n1	309026651	YJNXGCWRKCRZIQ-UHFFFAOYSA-N	237.393	4.559	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H](C)CCC(C)(C)C)[C@H](C)C1	310264526	DWLWEHWKLJKZOH-TUVASFSCSA-N	239.447	4.616	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CCC[C@@H](C)[C@H]1C	310295845	LUBKDPBRDWDLGO-KBUPBQIOSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](CNC(C)(C)C)CC1CCC(C)(C)CC1	310505262	KHBXWYYFNNRGCY-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1C	315238472	XRHQBEOGOXASKU-AESZEHBQSA-N	243.394	4.540	0	10	BJAE	
CCCNC[C@@](C)(CC)C/C=C\c1ccccc1	317793577	VIMNUURHRHQVJJ-GKUQOKNUSA-N	245.410	4.506	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC(C)(C)C)CC[C@H](C)C1	318037851	QNCHPHZQDOTFDQ-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)(C)C)[C@@H](C)C(C)C	319777896	GKACZWQUJVQUGR-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@H](C)[C@H](C)CC	320105644	QRYHRJFZYLELCK-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CCCCCCC(C)C)NCC	383355428	FLCCVGLROBIVBJ-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCC1=CCCCC1	386254263	JOBAJPOFFBRPKA-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)(CC)CN[C@H](C)c1ccccc1C	391119711	ARHSTPSQOVDIMR-OAHLLOKOSA-N	247.426	4.862	0	10	BJAE	
CCCCC[C@@H](C)N[C@H]1CCCC12CCCC2	392782960	PTOLWEMJPLHDHX-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
Cc1ccc([C@H]2C[C@@H](C)c3ccccc3N2)cc1	393964852	MINOWBKPZJFXQO-CXAGYDPISA-N	237.346	4.655	0	10	BJAE	
CC[C@@H](C)CCNc1cc(Cl)ccc1Cl	394403003	NIKUHJUIMCOSOY-SECBINFHSA-N	246.181	4.842	0	10	BJAE	
C[C@@H]1CC[C@@H]1Nc1cccc(-c2ccccc2)c1	689639982	OOODFTNVFRGQAX-DYVFJYSZSA-N	237.346	4.564	0	10	BJAE	
C[C@H](CC1CCCCC1)Nc1ccccc1F	689734679	AGKRGGWEZZRABP-GFCCVEGCSA-N	235.346	4.597	0	10	BJAE	
CCC[C@H](CC)N[C@H](C)CC1CCCCC1	689839295	QZEHTOAUTPYEFF-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1ccsc1	691076554	NORSTOCFBCJGFM-AAEUAGOBSA-N	223.385	4.519	0	10	BJAE	
CCc1ccc(N[C@@H]2CCCCC[C@H]2C)cc1C	691139591	OZXLKNIDWGHZGP-CXAGYDPISA-N	245.410	4.938	0	10	BJAE	
CCCN[C@@H](C1=CCCCCC1)[C@H](C)C1CCC1	692685416	QLTKMLBWBWNKTO-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@H]1CCCC2(CC2)C1	695981360	DFMJVAHTOQHCKO-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC([C@H](N)[C@@H]2CCCC3(CC3)C2)CC1	695984548	LEJUDRWRWDUOSQ-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(CNC1CC1)C(C)C	696678853	NZWBBWHBBLNCFJ-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(c1ccccc1)C(C)(CC)CC	701069787	ARVZYNBQVABKDY-INIZCTEOSA-N	234.383	4.501	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)(C)C)C(C)(C)CC	701132611	RBAOLAYNOUMVKH-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H]1CCCC[C@H]1C	704879449	RLKMPKIFYYCLHJ-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C)[C@H](C[C@@H](C)CC(C)(C)C)C(C)C	709105751	MZGNKJLDWTXSST-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CCC1CC1)C12CCC(CC1)CC2	710261113	FABPOZLDPAIKKD-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C12CCC(CC1)C2	710976009	CRIMRPJIXUJIGL-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCC(=O)c1csc(C)c1C	711327191	ILVYFXKCRWCKSD-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](O)c1cscc1Cl	711506847	PVZWCDRMPZZVIO-SKDRFNHKSA-N	246.803	4.507	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H](C)CC1CCCC1	712533214	GEZYCPNSIRUUQR-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CC(C)(C)CC[C@@H]1C	713027806	CSYPPQHHBPBTGX-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)C/C(C)=C\CCNC(C)(C)C	713137635	YYBQYZVCVSPUEA-RAXLEYEMSA-N	225.420	4.537	0	10	BJAE	
CC(C)(C)C[C@@H]1CCCC[C@@H]1CNC(C)(C)C	713166012	CULSPVBQJNDLMO-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC(C)(C)C(C)C)C1(C)CCC1	713210264	JGXHNKQTZCYYMX-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@H]32)C1	714315184	YEAPLFWFKDWGNU-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CC/C=C/[C@@H](C)Cc1ccc(Cl)s1	714532960	YQGKIRSQRSCINM-XNPJLODASA-N	214.761	4.546	0	10	BJAE	
c1cc(C2CC2)ccc1NCCCCC1CC1	720115972	CODSYXCLICLYNR-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CC(C)CCCCC[C@H](O)CCCC1CC1	720202418	KPYAIKFBTKDMMF-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CCCC12CC2	720995056	YURVMWNHXMKDKR-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CC1CC(C)(C)C1	723561980	HIIFVDFJMUSDGV-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CC1CCC([C@]2(N)CC[C@H]3CCCC[C@H]3C2)CC1	723612265	JMLKEYOUEWIWSO-QLOXVCQLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1SCC1CCCCC1	1188675582	AQIDVGNZGIZNBA-OCCSQVGLSA-N	226.429	4.879	0	10	BJAE	
Cc1ccc(N(C)C[C@H](C)CC(C)(C)C)cc1	1559516460	QZYKMQQPDPRIDV-CQSZACIVSA-N	233.399	4.504	0	10	BJAE	
C[C@H](CN1CC=CC12CCCCC2)CC(C)(C)C	1560236256	JIAADPIEDZFCMF-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H](C)CSCC1CCC(F)(F)CC1	1613626861	ARCZVAWNPBAKTP-SNVBAGLBSA-N	236.371	4.591	0	10	BJAE	
CCC(C)(C)CCN(Cc1ccccc1)C(C)C	1880414158	XZJUMMIJGZUYDQ-UHFFFAOYSA-N	247.426	4.723	0	10	BJAE	
CCCC[C@H](C)c1nc([C@@H]2CC2(C)C)cs1	1901913422	ZLWXPCSSAHKUAN-QWRGUYRKSA-N	237.412	4.950	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1CCC(C)(C)C1	1902378729	IZSMHCBPFBROBT-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)c1cc(C)cs1	1905441655	AFUAVXSNNBGEOM-CHWSQXEVSA-N	239.428	4.533	0	10	BJAE	
CCC(=CC(CC)(CC)CC)CNC(C)(C)C	1911867512	BTBFDCUOASYWEG-UHFFFAOYSA-N	239.447	4.927	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@H](C)CC(C)(C)C)[C@H](C)C1	1916086056	LBSFOCGNJSGTNL-REWJHTLYSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CCC[C@@H]1CC1(C)C	1919969325	IHLOHQXODSQCPZ-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
CC(C)[C@H](c1ccccc1)[C@@H](O)CCC(C)(C)C	1921320884	RQJDIRFUCBOFNW-JKSUJKDBSA-N	248.410	4.613	0	10	BJAE	
Cc1scc([C@@H](N)C[C@H]2C=CCCCC2)c1C	1925949708	UIZWTPSSQPCHHC-ZFWWWQNUSA-N	249.423	4.501	0	10	BJAE	
C1=C(Cc2cccc3sccc23)CCC1	1931299610	QIXUBTXWSSESDI-UHFFFAOYSA-N	214.333	4.554	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CCCCCC1CC1	1936403267	KRSQESHGMLQKRM-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1csc(CC)c1	1936757224	STTLPIJAGJROGU-CQSZACIVSA-N	240.412	4.560	0	10	BJAE	
CCc1cscc1[C@H](O)CCC(C)(C)CC	1938819224	CKNZKFAFVBIJKO-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
C[C@@H](CCC1(C)CCCCC1)CNC(C)(C)C	1940405164	APAZQECDIISZEA-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(O)CC1(C)CCCCC1	1940410861	VIXMKUHPVBZYHL-GDBMZVCRSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)CC(C)(C)C	1940852240	CYFQKMUVSNDEKV-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@](O)(CCCC1(C)CC1)C1CC1	1940867461	BUBNNWPQVDVKIW-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCC[C@H]1CC1(C)C	1940880739	BNIWTWNYYIHPBD-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H](C(C)C)[C@H](O)CCCC1(C)CC1	1941248901	RZWSSLSCUOWCKB-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)[C@@H](O)CCCCCC1CC1	1941572980	ICXCGNVUWVYKMU-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CCCCCC1CC1	1941581064	GUFBXBJLKBVCNT-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)CCN[C@H](CCC(C)C)C1CC1	1942800128	XLJUGAFYIUAPJU-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC(C)(C)C2CCCC2)C1	1945382738	QDBIYZRXBLXLJM-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1c(C)cccc1F	1947458961	HVKVVVPXYPDUJN-JSGCOSHPSA-N	235.346	4.515	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)CC1(C)CCCCC1	1947513885	ATHXSZHWJQPFTF-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
C[C@H](NC[C@H]1CCCC(C)(C)CC1)C(C)(C)C	1950922148	MBGPCQFWTRTDEX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)c1nc([C@@H](C)CC)cs1	1958155433	QYQUJOSZNJFJOQ-JTQLQIEISA-N	225.401	4.734	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCC[C@H](C2CC2)C1	1963228042	AXTFNZMWEQBDLM-JYJNAYRXSA-N	237.431	4.514	0	10	BJAE	
CCC1(CNC2C[C@@H]3CCCCC[C@H]3C2)CCC1	1965897160	ZXVLFIXIXINJTP-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@]2(C)C=CCCC2)CC1	1966037438	ILOMHCFYETXSKH-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCC1(CC)CCCN1CCC1CCCCC1	1973162209	NFADSUIFKKCXEW-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCCC(F)(F)C1	1974283509	DPBHMJKGOMFVIQ-STQMWFEESA-N	247.373	4.513	0	10	BJAE	
CC(C)=CCC(=O)[C@@H]1CCCC(C)(C)CC1	1980979747	DRCCNXSHNFKIFN-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCCC(CCC)CNc1ccccc1Cl	1981287870	DELSKGWKPOLVSK-UHFFFAOYSA-N	239.790	4.968	0	10	BJAE	
C/C=C/CCCNc1ccc2sccc2c1	1984612228	KFWUNGCTEBLTLW-NSCUHMNNSA-N	231.364	4.670	0	10	BJAE	
CCCCCC1CC(N)(C[C@@H](C)CCC)C1	1984747656	WXEPEHSKVIOVBQ-NFOMZHRRSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@](CC)(CNCC)C(C)C	1986399550	JMGGDMNLYWDMSJ-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)CCC=C(C)C	1988793953	DJSCVVZXMHJRMC-OAHLLOKOSA-N	226.404	4.700	0	10	BJAE	
C[C@H](C[C@](C)(O)CCC1CC1)C1CCCCC1	1996370551	YSWFXLDCIRMLDC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCCC2CC2)CC1	1997101909	CAXIKLLUHVIKMK-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)C[C@H]1CCC=CCCC1	1999990732	MEQAFEASFRKLLW-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
CC1(C)CCC[C@H](C=CCCNC(C)(C)C)C1	2000144518	XQWAVWCUBXJMHK-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCCC(C)(C)C1)C(C)C	2000160985	BIWYSVBQXGYRSY-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@@H](CC2CCCCC2)NC)CCC1	2000334727	UXXVTNPHHDCSOJ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@](C)(CCC=C(C)C)CNC1CC1	2000511345	COOWAHPMHMERQK-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C[C@@H]1CCC12CCC2	2001849882	BHBDYAWTQIXQDT-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)C1CC(CC)C1	2002352009	SDSXABXHRPXITP-XUJLQICISA-N	239.447	4.617	0	10	BJAE	
CC1(CCC[C@H]2CCCCCCC[C@H]2O)CC1	2003116379	IIOAIRZWWMSMHR-HUUCEWRRSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@@]1(CN)CCCCC12CCC2	2005600646	IZZFHQLRUHJBPM-INIZCTEOSA-N	237.431	4.646	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)c1cscc1C	2007936225	BYMPJRXVNSKBQP-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(CCC2(C)CC2)CC1	2009545374	ZAJPNLVIZRBZEV-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CC=C([C@H](N)C[C@H](C)CC(C)(C)C)CC1	2010625458	NWXSDZAXFJACHX-VNHYZAJKSA-N	237.431	4.523	0	10	BJAE	
CC[C@](O)(C1=CC[C@@H](C(C)C)CC1)C(C)(C)C	2010714582	IOTMQZFMNVCJCX-CJNGLKHVSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H](C)[C@H](N)CC1=CC[C@@H](C(C)(C)C)CC1	2010728790	IVPNVTRZGFDSHF-BPLDGKMQSA-N	237.431	4.523	0	10	BJAE	
Clc1cccc(N[C@@H]2CCCCCC23CC3)c1	2011271174	HSYWJCAAHYBMOV-CQSZACIVSA-N	249.785	4.865	0	10	BJAE	
CCCCC[C@H](C)NCC12CCC(CC1)CC2	2012789263	XLUVTLYTVVDPGB-FHERZECASA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)C1(N)CCC2(CCCCCC2)CC1	2013206040	ASDRLLGOBYTFDR-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cccc(C)c1C	2013264160	KZAUJRGEHZGXGU-OAHLLOKOSA-N	233.399	4.930	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@H](C)C1(C)CCCC1	2014341352	YOKCRPLSXIFEPO-HUUCEWRRSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C(C)C)C1(CC)CCC1	2015274113	WWDJQBHAZZMIIO-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(C[C@H](O)CC1=CCCCC1)C(C)C	2015280540	GMRRVNKDVNPNBP-OAHLLOKOSA-N	238.415	4.556	0	10	BJAE	
CCCN[C@H](CCC[C@H](C)C(C)C)C(C)(C)C	2015409240	PCTZTGYVHBZQIX-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](CC(F)F)C[C@](C)(O)CCC=C(C)C	2016142843	BSHTVGBBGBIEIZ-GXTWGEPZSA-N	248.357	4.555	0	10	BJAE	
CCC[C@H](N[C@H](C)CCC=C(C)C)C1CCC1	2016144689	KPFHMQDCBWUHJX-ZBFHGGJFSA-N	237.431	4.680	0	10	BJAE	
CCC(C)(CC)C(=O)CC1(C(C)(F)F)CCC1	2016738715	UCTNTDLZHHUCBB-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)CC1(C(C)C)CCC1	2017129556	PZHMCRRXILUWDW-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
CC(C)C1(C[C@H](C)c2ccc(N)cc2)CCC1	2017138024	FNVXYXCDQVDWAY-ZDUSSCGKSA-N	231.383	4.589	0	10	BJAE	
CCCNCC1(CC(C)=C(C)C)CCCCC1	2017466197	KIWNEWZXIDNTMM-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C(C)C)[C@H](C)O)CC1	2017712401	OAVCJJKDAIFCEH-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC[C@H]1CC[C@H](C)CC1)NCC	2017729614	YIVJNSYYMLCSDB-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@@H](C)C2CC2)CC1	2017773233	XSBDJYJQNOEGSZ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(C[C@@H]2CCCCC(=O)C2)CC1	2017774783	SRRCOKHNPALPMP-NRXISQOPSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CC)NC1C[C@H]2CCC[C@@H]2C1	2018134848	SMMBKMFWKJHBEC-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCCC1(CC(=O)[C@H]2C(C)=CCC[C@H]2C)CC1	2018938577	QLIYKRAOLHVOMT-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CCCCCCN1[C@H]1C=CCCCCC1	2019121456	IZBLEEMVSNUYJY-CVEARBPZSA-N	235.415	4.530	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)[C@@H](C)CCC(C)C	2019201095	RAYJPVMWPVUQML-ARFHVFGLSA-N	239.447	4.712	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H]1CC[C@H]1CC(C)C	2019420808	ITNHDGJLMOTQDS-JYJNAYRXSA-N	239.447	4.568	0	10	BJAE	
CCN[C@H]1[C@H](CCC(C)(C)C)CCCC1(C)C	2020361001	LTIVGRXXEDWXCK-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC(=O)[C@H]1C[C@H]1C1CCCCCC1	2022416247	ATRUMGJGELCOPF-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2022416279	BAVLQHLOZAVDPP-NWANDNLSSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@]1(N)CCC[C@H]2CCCC[C@H]21	2022993730	NZZUVXYJYGXZRC-OAGGEKHMSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CC=C(C)C)c1ccc(C2CC2)s1	2023318749	IZGHJECRYBTKIV-CYBMUJFWSA-N	249.423	4.632	0	10	BJAE	
CCN[C@@H](CC=C(C)C)CCCCCC(C)C	2023335873	KJMPJEFHHQFVMX-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C2CCCCC2)C1	2024100861	GHRXWXSQLNYURM-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1CCC[C@H](C)C1	2026083112	XVQVDQAVBMEQMO-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCCC[C@H]1c1nc(CC2(C)CC2)cs1	2026537396	DLMOWDYLBAHKIS-DGCLKSJQSA-N	249.423	4.779	0	10	BJAE	
c1sc([C@@H]2C[C@H]3CCCC[C@H]32)nc1C1CCC1	2026543742	DAHQUWKCPRRCAI-JHJVBQTASA-N	247.407	4.704	0	10	BJAE	
Cc1ccc([C@H](O)CC2(C)CCCCC2)cc1C	2027311786	OGJFFYNRCQYAPK-MRXNPFEDSA-N	246.394	4.697	0	10	BJAE	
CCC(C)(CC)CNc1ccc(C(C)(C)C)cn1	2028355943	AMBFNTCLMSPGCN-UHFFFAOYSA-N	248.414	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)c1ccc(C2CC2)cc1	2028591070	POCRPNNKIXBKMS-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1CC[C@H]2C[C@H]2CC1	2028965038	PDGYEEFHULEUGI-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1(c2cccc(NC[C@@]3(C)CC3(C)C)c2)CC1	2032248086	VHORVOVOUGLNBE-QGZVFWFLSA-N	243.394	4.586	0	10	BJAE	
CCCCc1ccc(NC[C@H]2CCC[C@H]2C)cc1	2032512371	ALVKZFFWJLRJBA-GDBMZVCRSA-N	245.410	4.877	0	10	BJAE	
NC1(CCCCCC2CC2)C[C@@H]2CCCC[C@H]2C1	2034139441	FAXSOHPZBYMNSU-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NC1C[C@@H]2CCCC[C@H]2C1	2034151564	YKPBKTYMQKYBEK-AESZEHBQSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCCC2)CCCC[C@@H]1C	2035597307	BVKZGPGBLADUTN-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCNC[C@@]1(C2CCCCCC2)CC12CCCC2	2036109024	VGPUCXYQKRKTJN-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCCC[C@H](CC[C@@H]1C[C@H]2C=C[C@H]1CC2)NCC	2036494046	HXASCBOHSVZHJC-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@H](NCCC1CCCC1)C2	2036663413	CTSQGPKJGZEFJA-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)CC[C@H]2C[C@H]2C2CC2)CCCCCC1	2037131606	UEZAHSLYZZFMOX-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CN([C@H]1CCC(C)(C)C1)[C@H]1CCC12CCCCC2	2037682105	KIQZCUMYXMHYJH-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)C2CC3(CCCCC3)C2)C1	2037685165	DZPZDYOUGGOPHE-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC2CC3(CCC3)C2)C1	2037980093	UGCYQRJJIPGXMF-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@H]1CCC[C@@H](C)CC1	2039363790	RZESBBXUGTXNFL-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@@]1(CCCC2(C)CC2)CC=CCC1	2042094504	QQHKOVMAOGSMDJ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H](C)CC2=CCCCC2)[C@H](C)C1	2043194848	PKOWDQWZVBXYRM-ANQUJSFKSA-N	249.442	4.680	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C[C@H]1CCC=CCCC1	2045318053	RGDHSVANMRPGSS-JYJNAYRXSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C[C@H]1CCC=CCCC1)C[C@@H](C)C1CC1	2045330370	VPIBQDMSOLWTNT-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](NC2CC3(CCCCCC3)C2)[C@@H]1C	2046230465	SCKFQJAUNGNISO-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
O=C(CCCCCC1CC1)[C@H]1[C@H]2CCCCC[C@H]21	2048364666	AMFMBVDHSLZSAP-SCAQPMJSSA-N	248.410	4.742	0	10	BJAE	
C[C@](N)(C[C@H]1[C@H]2CCCCC[C@H]21)C1CCCCC1	2048445164	OARIKSMAESCTLM-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)[C@@H]2[C@H]3CCCCC[C@H]32)CCCCCC1	2049220294	VZZDYZKILJUPPN-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)cc1C	2049535848	HZIIHRZHDZDRLD-DAXOMENPSA-N	245.410	4.930	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)CC1CCC2(CC1)CC2	2049950358	GRNQZLZJKYBEEP-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@]1(C)C=CCC1	2049990800	CAKNFOJGTJVQSR-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CC(=O)c1ccc(C)cc1	2050466085	XECRXVHXNSSYOB-GOEBONIOSA-N	244.378	4.784	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1ccc(CC)cc1	2051401044	LBYWQZPMTMACQO-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CN(C1CCCCC1)C1CCC2(CCCC2)CC1	2051643571	STNAAANPUKWIMK-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
CC=CC[C@@]1(CNC(C)C)CCCCC12CCC2	2053364043	IBKDVSXMJULRAS-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C[C@](N)(CC2CCC(C)(C)CC2)C1	2054986768	HPMYWVRWQSTHAW-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CN[C@@H]1C[C@H](C)C[C@H](C[C@@H]2CCC=CCCC2)C1	2055015339	KPWQWKZSOMMZPZ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C=C1CCCCC1	2056863020	NVGYJCXWZMYFCB-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CC1(CC[C@]2(CNC3CC3)CCCC2(C)C)CC1	2059173736	SZMZUYBTKUSCNK-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](NC)c1ccc(C(C)C)cc1	2059225773	QXCGQUHNFNHXRO-QGZVFWFLSA-N	245.410	4.817	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C12CCC(CC1)C2	2059257413	XGYHMZIXPBHZAP-LWUFZGFSSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C([C@@]2(N)CCCC3(CCC3)C2)CC1	2061110740	KSFLJLODKYSTCZ-WMLDXEAASA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](C)[C@H](CC1CC(=C2CCC2)C1)C(C)C	2061738027	XYGMIXLWPGPGNI-SUMWQHHRSA-N	249.442	4.537	0	10	BJAE	
C[C@H](N[C@H]1CCCCCC12CC2)C1CC(C)(C)C1	2062017620	AHCIRRWMPAHEED-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H]2CCCCCC23CC3)C1	2062020388	ZQNLCONMTGGCKS-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)C3(C)CC=CC3)C2)C1	2063210121	BFCZUUWKBMMSLQ-UHFFFAOYSA-N	246.394	4.518	0	10	BJAE	
CN[C@H]1C[C@@H](CCC2CCCC2)CC2(CCC2)C1	2063641430	NLVUYBSVBRHPLF-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CCC1)C12CCCC1CCC2	2063831891	ZNDFXAIGKIWYAV-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1CC[C@](C)(CC23CCC(CC2)CC3)C1	2065339785	PDQNVLMNYPKZBS-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC[C@@]2(C)C[C@@H]12	2065651469	BLUMZHGJUSGKLU-TWMKSMIVSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@H]1CCC1(C)C	2068234486	WXGJGTYGJBSISK-HZPDHXFCSA-N	245.410	4.507	0	10	BJAE	
CCC1CCC(C[C@H](N)C23CCC(CC2)C3)CC1	2072820519	WXCPGWYTSLIJPH-KLZNEWFBSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)C2(C3CCC3)CC2)CC1	2072872059	XCUVPRWZQKTREA-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@@H]1CCC12CCCCC2	2075009946	DIAHDRQRIJLYLX-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1CCCC12CCC2	2077187784	QBYXWHSMMXQMRC-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
c1ccc(C2CCC2)c(NC[C@@]23CCC[C@@H]2C3)c1	2077263136	LLCYZAITSAYQHK-PBHICJAKSA-N	241.378	4.556	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@H]1C[C@@H]1C(C)C	2079428878	SHMDDMWRIIEAMY-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]1C1CCCCCC1	2079529796	OIELQVCRQCJINF-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)CC(C)(C)C(C)C)c1	2082941504	HHFULTLIFVQLLH-INIZCTEOSA-N	248.410	4.718	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@]23CCCC[C@H]2C3)C1	2082973268	PVVLWYRDLGKQSJ-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@@]1(N)CC1CC(C)(C)CC(C)(C)C1	2082973753	URDNWQDLHQTOTF-QGZVFWFLSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1	2082986136	LAHGIIMTRVHQPI-NYTXWWLZSA-N	248.410	4.598	0	10	BJAE	
CC(=C[C@@H]1CCCC(C)(C)C1)[C@H]1CC[C@H](N)CC1	2082986661	NEJKLIFLMWTZAZ-JYJNAYRXSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(CN)CCC23CCC3)C1	2082989948	DRVMVEVELATESQ-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CC23CCC(CC2)CC3)C1	2083017335	KHDOCVFBXUMILX-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
C1=C[C@@H](CC[C@H]2C[C@@H]3COC[C@H](C2)C3)CCCC1	2085906480	SDVOAMALOUPYKX-VQHPVUNQSA-N	248.410	4.576	0	10	BJAE	
CCCCC[C@H](CC)Oc1ccc(C)cc1C=O	2086297807	IROPINYHIGDXNE-HNNXBMFYSA-N	248.366	4.545	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H](C)C(C)(C)C	2212644258	MHPKWNJTPKZFRN-SNVBAGLBSA-N	239.790	4.749	0	10	BJAE	
CC(C)=C(C)CCc1cccc2ccoc12	2212772782	IMLATEMHSRIULA-UHFFFAOYSA-N	214.308	4.722	0	10	BJAE	
CC[C@H]1C[C@@H]1CCNc1ccc2sccc2c1	2215311437	LHIVRCJXTPYBRQ-RYUDHWBXSA-N	245.391	4.749	0	10	BJAE	
C[C@H]1C[C@H](CCCCCCCC2CC2)CCN1	2216901986	XOPJEAIMJPHJTK-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](CNC1CCC1)C1CCCC1	2217128349	ZIOJZVAWIAPFQH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CC)CCC1CCCC1	2217151625	XEDJVTXOEJJCJR-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)[C@@H]1CC[C@H]2C[C@H]2C1	2218733205	WGXUQSJCAZCLNG-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2CCC(C3CC3)CC2)C1	2218896249	FXMBZWOFRPYMNS-LHUBUQBQSA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@@](C)(N)C2(C)CCCC2)CC2(CCC2)C1	2221022238	FJCZVUZKPWAFQS-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H](CC)CNc1cc(C)ccc1Cl	2244798864	CQDKELUGURYEHQ-LBPRGKRZSA-N	239.790	4.887	0	10	BJAE	
CCCC[C@@H](O)CC[C@H](C)CCCC(C)C	2244841444	OZJXKQNUMDUABI-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)C[C@@H](C)N	2244844466	ALTJJAGFCFTFCQ-RRFJBIMHSA-N	227.436	4.602	0	10	BJAE	
CCN[C@@H](CC1(C)CC(C)C1)C(C)(CC)CC	2246591932	VDWMPBKGPJXZKE-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](O)CC[C@H]1CCCCC12CC2	2246630199	MHBXJBAFZXCCNU-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
N[C@H]1CCCCCCC[C@@H]1CC1=CCCCC1	2247491091	VWHMPHFICSXUIP-CVEARBPZSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(CC)[C@H](N)CCCCC[C@H]1C[C@H]1C	2248808355	RBTXOHDLQSNVPH-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](N)CCCCC[C@H]1C[C@H]1C	2248809134	QFWIEJIQUSXUTB-PMPSAXMXSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCCCNC1	2250515752	BYSJRPQZIPBVSI-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C[C@@H]1CCCCC12CC2	2253810466	DXQAGVQHLGQORL-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC([C@H](N)CC[C@H]2CCCCC23CC3)C1	2253872065	YYXPZRBGVLHESL-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NCC[C@H]1CCCCC12CC2	2253877437	FCFSYFMEQWZLLM-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@]1(CC[C@H]2CCCCC23CC3)CCCN1	2253879902	GZFVRBBDOXZRFY-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](N)CC1CC2(CCCC2)C1	2254112365	DZLAEIJDCWCDLE-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)c1cccc(F)c1	2254516559	LIVCLWSRJQSSEC-CHWSQXEVSA-N	248.341	4.615	0	10	BJAE	
CC1(C)CC[C@H]1C[C@]1(N)CCCC12CCCCC2	2255015928	UCEWQGVDSMBJAP-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1CC1=CCCCC1	2255137204	NFWMYVUNIGQFGQ-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
CC1(C[C@@H](N)CC[C@@H]2CCCC23CC3)CCCC1	2255277115	CZLRXQBLDVHVSR-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCC1([C@@H](N)CC[C@H]2CCCC23CC3)CCCC1	2255290316	DMNXMANBXDZEDF-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H](C(C)C)C2)cc(C)c1C	2258233748	RIQDWDJMCYILAH-HZPDHXFCSA-N	245.410	4.848	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1cc(C2CC2)ccc1F	2259126529	NEZFRWDUTDBPSP-NHYWBVRUSA-N	247.357	4.694	0	10	BJAE	
N[C@H](c1cccc(C2CCCC2)c1)C1CCCC1	2260723129	JDUBVEHPKHILQI-KRWDZBQOSA-N	243.394	4.534	0	10	BJAE	
CC1CC(CCC(=O)CC[C@@H]2CCCC23CC3)C1	2261508500	FYABNGAVKZUZAF-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H](C)CC2CC2)CC1	2298911694	QSTOOFSFMQRTEE-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC[C@@H]1C[C@H]1C	2300457455	CKRZSVCCSFMXBV-UKRRQHHQSA-N	231.383	4.576	0	10	BJAE	
CCC(CC)CCCC[C@@H](N)c1ccccc1	2300676015	KHZROMBSFLHAIP-MRXNPFEDSA-N	233.399	4.683	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CCC(CC)CC	2300684344	SSPAOXICHWZMHP-HOTGVXAUSA-N	241.463	4.993	0	10	BJAE	
CC1(C)C[C@H]1c1csc(C(C2CC2)C2CC2)n1	2302260894	XSRKVLPBAXNXCO-NSHDSACASA-N	247.407	4.560	0	10	BJAE	
CC1(C)C[C@H]1c1csc([C@H]2C[C@@H]3CC[C@@H]3C2)n1	2302262233	JWRDZHLUTDQNAQ-USZNOCQGSA-N	247.407	4.560	0	10	BJAE	
CCCNCC[C@@H](C)CCCC1=CCCCC1	2302353078	BFEPLIDGYQPFKO-HNNXBMFYSA-N	237.431	4.683	0	10	BJAE	
CC[C@@](CN)(CCCC1=CCCCC1)C(C)C	2302356181	KIERXFYUCSMQLL-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CC[C@H]1C(C)(C)C	2303453710	IDURXOWTGXFPSU-TZMCWYRMSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@@H](CCCC2(CO)CCCC2)C1	2304397993	ZZGBPJYTONUYSK-CQSZACIVSA-N	238.415	4.536	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CC[C@@H]2CCC(C)(C)C2)C1	2304400411	WBKXWALAORBQKX-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)C2(C)CCCC2)C1	2304413137	XTDWQVYMSXUEFY-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCc1ccc(COc2ccsc2C)cc1	2307204037	YDBPDARWTXBSBD-UHFFFAOYSA-N	246.375	4.588	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCC[C@H](C)CC1	2307925682	JROPNFOSVMDAJV-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCC[C@](N)(C[C@H]1CC[C@@H]2C[C@@H]2C1)C1CCCC1	2309167938	NEXMXWVHELUUOX-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(C[C@@]23CCC[C@@H]2C3)CC1	2310895260	RMWMPHDKXLFSKG-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)[C@@H]2C[C@H]2C2CCCC2)C1	2311526027	PDEBOAGBXJRSFW-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)[C@@]12CCC[C@@H]1CC2	2313296448	ZITMEMBQRLQAHK-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1CC[C@H]2C[C@H]2C1	2316503733	RAUOOCAYOLBCOR-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@@H]1CC[C@H]2C[C@H]12	2316504868	YGXXFWGBPWBXGV-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H]1[C@H]2CCCC[C@H]21	2316505316	ZDJSMAMHJTUHAU-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
O=C(C1CCCCCC1)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316752765	QYTBGFCWKCYBLC-OFQRWUPVSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CCCCCC1)[C@@H](N)c1ccccc1	2317009194	WIFOPQVIHOXVLS-RHSMWYFYSA-N	245.410	4.683	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317120636	DVAMSHVGFZCYJA-WCXIOVBPSA-N	249.442	4.680	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@H](C)[C@H](C)C(C)C	2317628398	ADNOTQWQLSUGIC-KFWWJZLASA-N	247.426	4.580	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1ccc2ccccc2c1	2317663309	GOBAZLSSSSRFFT-KBPBESRZSA-N	241.378	4.932	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](CCC1=CCCCC1)NC	2317964726	WMCJUJVBKPYLJW-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N1CC[C@@H](C)c2ccccc21	2318002468	XPRATYSEUYDMKT-KFWWJZLASA-N	245.410	4.681	0	10	BJAE	
CC1(C)C(C)(C)C1(C)NCCCC1=CCCCC1	2318541430	SYWPZDNLNSVLJS-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@@]1(C)C[C@H]1C	2318583928	VGLFIZQQQUSWOX-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CCCc1[nH]c2ccc(C(C)(C)C)cc2c1CC	2318851052	QMRVBOMEBGLDHM-UHFFFAOYSA-N	243.394	4.980	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)[C@H]2CCC(C)(C)C2)CC1	2319311225	JJLCADWJDYAHOD-BPUTZDHNSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@H]2CCCC(C)(C)C2)CC1	2320265320	HXGLPJVSMHAOHU-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](O)c2ccccc2C)CC1	2320328731	GCCITALIRRVWQG-NVXWUHKLSA-N	244.378	4.555	0	10	BJAE	
CCc1ccccc1OC[C@@H]1CCC(C)=C(C)C1	2320346149	CXLFKSNWWBANQR-OAHLLOKOSA-N	244.378	4.764	0	10	BJAE	
CCNC[C@@H]1CCC[C@H]1C[C@H]1CCC(C)=C(C)C1	2320391224	RKQMLCDLHRVFJX-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@H]1C[C@@H]1C	2320396785	JVSHGAKTBKSHFX-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)N(C)Cc1cccc(C2CCC2)c1	2320620428	HABNXGANKWWMOR-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCC[C@@H](C)[C@H]2C)c1	2321092638	CDWXDQZXTNOAGV-XHBSWPGZSA-N	249.373	4.625	0	10	BJAE	
Cc1coc(C)c1[C@H](N)CC[C@@H]1CCC(C)(C)C1	2321651216	XBRZYOOFPASMQK-ZIAGYGMSSA-N	249.398	4.503	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)CC2CC(C)C2)c1	2327794566	KJTFYJPADHYEED-MQBCKMQZSA-N	246.394	4.588	0	10	BJAE	
CCc1ccc([C@@H](C)Nc2ccc(C)cc2)cc1	21008753	VCZRMIZNRZQYPN-CQSZACIVSA-N	239.362	4.731	0	10	BJAE	
CC/C=C/C=C/C=C/C=C/C=C/OCCC	34097878	DDGFFDQTTWLPQJ-ZISLSCIOSA-N	218.340	4.562	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@H](c1ccccc1)C(C)C	36967446	NYUASUUVDLIWAO-NVXWUHKLSA-N	247.426	4.798	0	10	BJAE	
Cc1ccc([C@H](C)NC(C)(C)CC(C)(C)C)cc1	37100826	RGBIXAHYLURIMJ-AWEZNQCLSA-N	247.426	4.860	0	10	BJAE	
CCCCC[C@@H](N[C@@H](C)C(C)C)c1ccccc1	37249764	XJIHASUNOVTELG-DOTOQJQBSA-N	247.426	4.942	0	10	BJAE	
CCc1cccc(O[C@H]2CCCC[C@H]2CC)c1	85150881	XBIACTKGYOMOIV-ZBFHGGJFSA-N	232.367	4.597	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCCC(C)(C)CC1	86894105	VFYIAHBZYZCDGR-CQSZACIVSA-N	231.383	4.766	0	10	BJAE	
CCCC[C@@H](O)c1ccc(C(C)(C)CC)cc1	90484546	IMOPRJVXLHSQNK-OAHLLOKOSA-N	234.383	4.598	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCCCC2(C)C)C1	94323401	CTNNSGFZEWQVHQ-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1cccc(C)c1	109719290	FELRTBUERRGMNT-GOEBONIOSA-N	233.399	4.601	0	10	BJAE	
CCCCCC[C@@H]1CCCCC[C@@H]1NCCC	112869771	RSOBTPUHYTZIBB-CVEARBPZSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCC)c1ccsc1	129220428	JCMLVUSNPYJENC-JSGCOSHPSA-N	239.428	4.615	0	10	BJAE	
CC(C)CCCCNC1CCCCCCC1	147256111	GIEGYVDUUMUAHW-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@H](C)CC	161424353	SIRKCFBKGXVXIC-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C1CCCCC1)C1(C)CCCC1	167171943	UJFDSUNDALDWJK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCCC(=O)[C@H]1CCCC[C@@H]1CCCC	196679719	FMZCHUZUNHOQHI-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1CCCC(C)C	221655830	QDXTUKCUCSQXNQ-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCC1CCCCC1	223250647	ZCEDURRLZWSYPO-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@@H]1CCCC[C@@H]1CC	225117275	PJQBZIRXYZEEMB-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCC[C@@H](CC)C1	226929030	NERYFJSDAOTHBB-RBSFLKMASA-N	225.420	4.514	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C)[C@H]2C)c(C)c1	226998962	DFGOSCPMCONTSN-BJJXKVORSA-N	231.383	4.540	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H]1CCC[C@@H](C)C1	227173239	HUMXLWVZOVGHHM-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
Cc1cc([C@@H](C)NCCC2=CCCC2)c(C)s1	228585577	MALRNQIKWRIHQF-GFCCVEGCSA-N	249.423	4.516	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H](C(C)C)C2)ccc1F	230994113	UWHDFUABKWWGGF-UONOGXRCSA-N	249.373	4.761	0	10	BJAE	
CCC[C@H](C)[C@]1(N)CCC[C@@H](C(C)(C)C)CC1	233340562	BPOZVRVNXDVASL-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2cc(C)ccc2F)C1	235714333	IJDXXUYEYNJXSK-TZMCWYRMSA-N	247.357	4.538	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	252896514	BREYHCVAJJBAGH-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C(C(C)C)C(C)C	302518874	DHYANICKCPHJBT-CABCVRRESA-N	241.463	4.848	0	10	BJAE	
CCCc1cccc([C@H](N)[C@H](CC)CC(C)C)c1	308066008	MLJFKEKSPLZPLL-NVXWUHKLSA-N	247.426	4.711	0	10	BJAE	
CCC[C@@H](NCC(C)(C)C1=CCCC1)C1CCC1	308769943	MARWPCXWWZWYBA-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC1(CNc2cccc(Cl)c2C)CCC1	309726811	DHXPKGNNPITRFD-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
Cc1ccc(N[C@@H]2C=CCCCCC2)c(C)c1	310058476	DELLZBBJWYVZPV-OAHLLOKOSA-N	229.367	4.604	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@H](C)C2)cc1C	310061524	SIKAENQLUMQLLR-WFASDCNBSA-N	231.383	4.548	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@H](C)CC(C)C	310195794	ZPZQTBCNOPRVBV-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC[C@@H](C)C1CCCCC1)NCC	310475594	KBHYSJWGVVONDV-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)([C@@H](C)CC(C)C)C1	310496821	KRYXYLUXRKIZQE-HRCADAONSA-N	239.447	4.602	0	10	BJAE	
C/C(=C\CCNC(C)C)c1ccccc1C(C)C	310878877	VJKMTHOLGBAVDN-OQLLNIDSSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(c2ccccc2C(C)C)C1	311031288	DZNUHOBZCJYEDC-RHSMWYFYSA-N	245.410	4.564	0	10	BJAE	
Cc1cc(C)cc(OCC2CCC(C)(C)CC2)c1	311044916	VTCLCSQLEHHUSS-UHFFFAOYSA-N	246.394	4.899	0	10	BJAE	
CCN[C@H](CC1(C)CCC1)c1cc(C)cc(C)c1	311108495	RGBUNOOHZYHDAJ-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCC[C@H](Nc1cscc1C)C1CCCC1	313450393	VTGZRZOZVOQFLA-ZDUSSCGKSA-N	237.412	4.827	0	10	BJAE	
CCCNC[C@](C)(CC)[C@@H]1CCC[C@@H](CC)C1	317797651	WBFCDENCDWLVKL-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)c1ccc2ccccc2c1	319380163	JTXZAHZSHUUHNI-OGHNNQOOSA-N	241.378	4.522	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)C(C)(C)C1CCC1	322481706	UHDLXTRCPLPHQK-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CC)NCC/C=C/c1ccccc1	323909356	XYMLTIQYUKMLRM-GXDHUFHOSA-N	245.410	4.648	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCC[C@@H](C)C1	383158895	PTSXLAFMZVZEHB-CABCVRRESA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)c1ccccc1C(C)C	386639906	RGGJTNJKGOVCAK-YOEHRIQHSA-N	247.426	4.897	0	10	BJAE	
C/C(=C/c1cccc(Cl)c1F)[C@@H](C)Cl	393691404	RWKVHMVVIPMKIC-NFXKFNAJSA-N	233.113	4.510	0	10	BJAE	
CCCNCC/C=C(\C)CCC1=CCCCC1	395333243	TWHMTFVDHAVBKI-OVCLIPMQSA-N	235.415	4.603	0	10	BJAE	
CC[C@@H](Nc1cccc(SC)c1)[C@@H]1CC1(C)C	397620234	RQZJXHRLOIBKLI-UONOGXRCSA-N	249.423	4.645	0	10	BJAE	
CCc1sc(C(C)(C)C)nc1[C@H]1CC1(C)C	397680119	LRHBANQALCLLKV-SECBINFHSA-N	237.412	4.517	0	10	BJAE	
CCCCCOC(=O)Nc1ccccc1C(C)C	586478448	DYCRTTVTNYFJEL-UHFFFAOYSA-N	249.354	4.549	0	10	BJAE	
CCCC1(CNc2c(C)cccc2F)CCC1	687527157	RFJZGWPWQQSRFU-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCCC1(CNc2cccc3ccccc23)CC1	687549286	XZHOGRQPHIVFIB-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
CCc1ccc(CC)c(NC[C@@H](C)CC(C)C)c1	689616950	BHIXKVUZOVDQSO-AWEZNQCLSA-N	247.426	4.906	0	10	BJAE	
CCc1cccc(N[C@@H](C)CC2CCCC2)c1	689778679	DGROIJVFDFCTSN-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
CC(C)CCCNc1ccc(C2CCC2)cc1	690085583	PKYQZIPTQYMNBU-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@H](C(C)C)CC[C@H]1O	696782702	PQDANMZCAMVGAF-RBSFLKMASA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1cc(Cl)cs1	696803443	QNNWVLCVMNXBBC-JTQLQIEISA-N	246.803	4.651	0	10	BJAE	
NC[C@H](CCC1CCCC1)C1CCCCCC1	696830078	GXZBBSJDHHUOHK-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC(C)=CCCC(=O)c1cc2cc(C)ccc2o1	697834430	DJYLAJFSWJLURF-UHFFFAOYSA-N	242.318	4.670	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(N)CC1CCCCC1	704889872	PLMGXASLLCWECR-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCC[C@@]1(N)CCC12CCCC2	705100659	QBNUVMDUIJOMBQ-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCCC1(C)C)CC(C)(C)C	709106909	WIXGYJOLHDBXND-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CCC1CCC(N[C@H](C)[C@@]23CCCC[C@@H]2C3)CC1	709143338	AKPOSIOBFFGEPG-PRXYFPRHSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@H](N)C(C)(C)C1CCC1)CC(C)(C)C	709203623	UBBIKJGYRUOXRM-OCCSQVGLSA-N	239.447	4.602	0	10	BJAE	
C[C@H](CN[C@@H](C)CCC(C)(C)C)CC(C)(C)C	709254673	RAAPDHVLAAXCPU-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C[C@H](N)C(C)(CC)CC)C(C)(C)C	711069922	MFXKZXKXBSECLU-OLZOCXBDSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H](C[C@H](NC)c1ccccc1C)C(C)(C)C	711097411	SJBRLTMEAPSUHC-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
CC[C@@H](CC(=O)CC1CCCCC1)C(C)(C)C	711186697	NJQRGFOMLFAWBY-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(C)C1CCC(NC[C@@H]2C=CCC2)CC1	711687998	UIOLSUZYZFTIDC-QQFBHYJXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@@H](C1CCCC1)C1CCC1	711832015	NFRMVRSHWUALJG-GUYCJALGSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C[C@H](CNC(C)(C)C)C1CCCC1	713132782	KMPSZUJVFWMWOL-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CC[C@H](NCCC)c1cc(C)cs1	713659664	ADMWFONZGKUCKO-UZYOAWRESA-N	249.423	4.620	0	10	BJAE	
C=C/C=C/CC[C@H](C[C@H](C)C(C)(C)C)NCC	713688562	WTWJTMGZVVCTJZ-LWLVDVGCSA-N	237.431	4.559	0	10	BJAE	
C=C/C=C\CC[C@H](C[C@H](C)C(C)(C)C)NCC	713688568	WTWJTMGZVVCTJZ-VUFKQPGHSA-N	237.431	4.559	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)(C)C[C@@H]1O	717488194	LCIILGGCVVQRTA-ZNMIVQPWSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CC[C@@](CCC(C)=C(C)C)(CNC)C1	718741534	ZJAGCZFCTNNYEL-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CCCCCC1(C)C	719204477	SYLSHRJAUFIRPV-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)SCc1cccc(Cl)c1	1307298419	CHQQSKQXCKCNMT-UHFFFAOYSA-N	228.788	4.762	0	10	BJAE	
CC(C)N(C[C@H]1CCCC[C@@H]1C)c1ccccc1	1473229680	FHGZQKOQDBBQIX-JKSUJKDBSA-N	245.410	4.728	0	10	BJAE	
CCCCCCc1cccc(F)c1Cl	1889494026	ORLQKEXAEDWKRM-UHFFFAOYSA-N	214.711	4.602	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C1CCCCCCC1	1908582021	HIVPOJIIQFHBEH-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1CC2(CCCC2)C1	1912739096	RKPPHUUGJLVWGW-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@](C)(N)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1920183232	SDQHNDAAZGFTNF-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CCCNCC1(CC(C)(C)CC)CC(CC)C1	1921176971	TWFPDNVFHDWRSY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC1CC(C(=O)[C@H]2CCC[C@@H](CC)C2)C1	1921278651	YLYAZTYNVXBWPU-JLVJUDLZSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1CCCC12CCC2	1921616833	CJMDIVRAPLHIGD-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(NC2C[C@H]3CCC[C@H](C2)C3)ccc1F	1923469792	BOMRYABGMWJACV-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](O)CC1(C)CCCCC1	1923888356	RFQASTYHMQURHN-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@@H]2C=CCCCC2)C1	1925768877	MESNVSJIYWIORV-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C=CCCCC1)C1CCCC1	1925806080	BUHLAMCHLIRYBV-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1C[C@H](CC[C@@H]2C=CCCCC2)C[C@@H](C)O1	1925875752	YDTHERGLEIYIKH-QKPAOTATSA-N	236.399	4.717	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H](CC)C(C)C	1936208632	JCDSEMIUAIFLDE-UONOGXRCSA-N	226.404	4.844	0	10	BJAE	
CC(C)C(C(C)C)[C@H](C)Nc1cccc(F)c1	1940248753	NKXCOCGTXQFVEM-LBPRGKRZSA-N	237.362	4.554	0	10	BJAE	
CC(C)NCC1(CC2(C)CCCCC2)CCC1	1940404689	ASXIBNBLQCANPV-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@](O)(CCC[C@@H]2CC2(C)C)CC1	1940871978	IRCSQOIFYWBTKE-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(CCCCN)=C1CCC(C(C)(C)C)CC1	1941153748	AWOLGTAGDHEQII-UHFFFAOYSA-N	237.431	4.668	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCC1CCC=CCC1	1941815290	GPONSLSWIXGRSM-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H](CNC(C)(C)C)C1CC1	1942093352	PXEQBTNDRKWJBR-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CCC[C@H]2C)C1	1944798075	WWOHFNHQPHOCFU-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H]1Cn1ccc2c(Cl)cccc21	1944799316	MPKAUZFFFCBALT-NWDGAFQWSA-N	247.769	4.731	0	10	BJAE	
C[C@@H]1CCC[C@H]1Cn1ccc2ccc(Cl)cc21	1944799922	TXFGUEKMYGPPPN-YPMHNXCESA-N	247.769	4.731	0	10	BJAE	
CC(C)(C)CCC[C@@]1(O)CCCC(F)(F)CC1	1948119986	CRQPFTSHRVWYHR-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCC(F)(F)CC1	1948168777	JLNZCVHPDCMAOZ-STQMWFEESA-N	247.373	4.513	0	10	BJAE	
CC(C)C[C@H](C)[C@H]1c2ccccc2NC[C@@H]1C	1949113522	YMJSOKPEPAPTPO-HEHGZKQESA-N	231.383	4.514	0	10	BJAE	
CC1(C)CC[C@H]([C@H](O)C2(C)CCCCCC2)C1	1949401513	DGMSVTZBZJCWLF-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](O)(C1CCCC1)[C@H]1CCC(C)(C)C1	1949420301	FGBAUBDSSMRPCT-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1CCCC(F)(F)CC1	1950013725	CFZQSYJFKCXBPC-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CCCC2CC2)CC1	1950914846	UFHJGCCKBCAQNQ-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC(C)=C(C)CCC(=O)CC12CCC(CC1)C2	1950958109	KXBGHDRMGRNMCN-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC=C[C@@H](C)Cc1ccc(OCCC)cc1CC	1951305795	ZCNMIUXXOSBGCU-CQSZACIVSA-N	246.394	4.793	0	10	BJAE	
CCC1CCC(NC2C[C@@H]3CCCC[C@H]3C2)CC1	1965874379	NUVKTDRVVJTEOR-PYBGIAKNSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)N(C)Cc1ccccc1CCC	1966326578	NQUMHGRKCWGUSQ-HNNXBMFYSA-N	247.426	4.650	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@@H]1C1CCCC1)C1CCCC1	1967828345	RHOMREZOTKFODS-IKGGRYGDSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2CC[C@@H](C)C2)cc1	1968292321	FYBXBCJJLXTYKN-KGLIPLIRSA-N	231.383	4.658	0	10	BJAE	
CCC1(CC)CCC(Nc2cccnc2C)CC1	1968661259	IRKBSQDPJCBNMH-UHFFFAOYSA-N	246.398	4.551	0	10	BJAE	
C[C@H](CN(C)CCC1CCCC1)CC(C)(C)C	1970716288	HQVIILUYFLRPLU-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CC(C)(CN[C@@H]1CCCC12CC2)C1CCCCC1	1970815122	XYOVVEVTDKRBMY-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)C(=O)c1cc(C)ccc1Cl	1976002911	GQGCWMIDNKSLQV-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)C(C)(CC)CC	1976011489	WLTRZOQFZJMZJY-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC=CCCC[C@@](C)(CC)CNC(C)(C)C	1984641050	WXYOKGKAZARVBJ-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@](C)(O)CC(C(C)C)C(C)C	1988235426	YYXWONWXQVARPE-HNNXBMFYSA-N	228.420	4.636	0	10	BJAE	
S=c1cc[nH]cc1-c1csc2ccccc12	1989485172	AVKGRMPPOYEDRK-UHFFFAOYSA-N	243.356	4.626	0	10	BJAE	
CCCC[C@@H](CC)NC[C@H](C)CC(C)(C)C	1990048430	FSTIYYMTXWGOAP-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H](C)CCC	1995215722	YIGJAIVEHCTQOS-KGLIPLIRSA-N	226.404	4.988	0	10	BJAE	
C[C@@H]1CCCC[C@H]1c1nc(C2CCC2)cs1	1995468770	BDQFRZKSVYTBNF-ZYHUDNBSSA-N	235.396	4.704	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1(C)CCCCCC1	1995827598	WJKKNZQTYXVZEM-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)C1(C)CCCCC1	1995986360	DOTPLADJQOGEQX-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](N[C@H](C)C1(C)CCCCC1)C1CCC1	1995988045	WSYHYBJQMVUDJS-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1996611426	CGFAEICESNELEE-YJNKXOJESA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCNC[C@H]1CCC[C@H](C)CC1	1997117222	PNJRFRSWZFFOJL-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
Cc1ccsc1[C@H](N)C[C@@H]1CCC=CCCC1	1999978383	CYLVBSBQBMGINB-ZIAGYGMSSA-N	249.423	4.583	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCCC(C)(C)C1)C(C)C	2000175390	CAKRTGRNPUWFAI-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@@H](CC2CCCC2)NCC)CCC1	2000377097	SQWRYBULKADWKL-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@H](N[C@@H](C)C(C)(C)C)[C@H]1CCCC(C)(C)C1	2003005022	JBDXQDZXACZIJS-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@H](N)[C@@H]1CCCCC12CCC2	2005593050	XZEPUPVTKCWPER-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CC=C(C)[C@@H](NC)C1CCC(CCCC)CC1	2007857913	CTZORWWOLWQMQW-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CCC=C(C)C)[C@@H]1CC	2009250390	WYYCJVXNSZLEFF-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCCC(=O)c1ccccc1C(C)C	2009578233	OSHMQBWZYFRLET-SNAWJCMRSA-N	230.351	4.739	0	10	BJAE	
CC=CCCC[C@H](CC(C)(C)C1CC1)NCC	2009626728	FVOYATUEVCXHNQ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(N)(C[C@H]2CCC[C@H](C)C2)C1	2009788776	DYMJFAOZQLCZPA-FXQLRMTLSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)CC1=CC[C@H](C(C)(C)C)CC1	2010767959	XPEDOZQZWAUSJV-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC[C@]12CCC[C@@H]1C2	2011012548	XSKVOUDDRVRYTN-WBMJQRKESA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(CCC[C@H]1C[C@H]1C)CNCC	2011580539	FYTAWPXVIBELLM-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)CN[C@@H](CC)CC1CCCCC1	2013470967	NHYHJWHHEZHXHD-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC(C(C)C)C(C)C	2015276498	YMRQRZBDMCZJNE-GOEBONIOSA-N	242.447	4.882	0	10	BJAE	
CN[C@@H](CCC(C)C)CCC(C(C)C)C(C)C	2015356851	IPNGQSYBVHNSDU-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C[C@]1(N)CCCCC1(C)C)C(C)C	2015395697	AWCYKSNEUWIOKQ-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H](C)C[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2015410856	DWBMADSTAAHEDN-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@H](O)[C@H]2CC[C@H](C)CC2)CCC1	2015635760	YQKFKRFOTNDWMB-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](N)CC2CCCCC2)CCC1	2015639998	MZZSSRFKFSFXBI-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCC1(CCC2(CO)CCCCC2)CCC1	2015641693	IBIDZQBIZRSONX-UHFFFAOYSA-N	238.415	4.680	0	10	BJAE	
CCC(C)(C)CCC(=O)C1(C(C)(F)F)CCC1	2016003467	DADCLBBRUWJVKQ-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@H]1C1CCC1	2017045805	IIJGQLUXEHLEMU-HOTGVXAUSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1(C(C)C)CCC1	2017122860	FZUNMXNBEVYIKJ-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC(C)(CC)CN(C)CC1(C(C)C)CCC1	2017126807	GJIKECIASCZKNC-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(CN)CCCC2)CC1	2017726198	XGZYFEQYPLDLDG-SHTZXODSSA-N	237.431	4.502	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)C[C@H]1CCC=CCCC1	2017793497	JZCULMIMBIVUFI-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@H](CC)NCC1(C)CC(C)(C)C1	2018130153	HQAATLVDDZTDJE-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@]2(N)CC(C)(C)CC[C@@H]2C)CC1	2018985744	SQXDYQGXUQUFON-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](O)[C@H]1C[C@H]1C1CCCCCC1	2022345751	GECLKVKAEURPKZ-JYJNAYRXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)N[C@H]1C[C@@H]1C1CCCCCC1	2022440525	PPAPQQKFFUCJHD-XHSDSOJGSA-N	237.431	4.514	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1C[C@@H]1C(C)C	2022478232	SAPWRFLGVVDZCO-DZGCQCFKSA-N	231.383	4.514	0	10	BJAE	
CCC1CCC(C[C@@H](CC=C(C)C)NC)CC1	2023327717	MQEQYBXYFDNMNI-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC=C(C)C)NCC	2023329714	BWMDXPGZCXMZCI-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CC(F)(F)CCCCC(=O)[C@@]1(C)C=CCCC1	2023345935	MBERNUKNHOOTGO-ZDUSSCGKSA-N	244.325	4.518	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](CCC(C)(C)C2CC2)C1	2024129046	RNPPCVSUKNIJMD-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](N(C)CCCCCC(C)C)C1	2025600804	PPNBUPVGZWPCIM-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
C[C@H](c1ccccc1)[C@H](O)CC1(C)CCCCC1	2027312785	YWKQRYRVNODISB-GDBMZVCRSA-N	246.394	4.512	0	10	BJAE	
CC1(CCCNc2ccc(C3CCC3)cc2)CC1	2027837295	PYLNYKMKUDEUCR-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
Cc1ccoc1C(=O)C1CCC(C(C)(C)C)CC1	2028127024	UFUUAQASIDOZCD-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@@H](CC)C(C)C)cc1	2028251572	HTQAPUYSWBTYFR-JQFCIGGWSA-N	247.426	4.882	0	10	BJAE	
CCCCC[C@H](NC)c1ccccc1CC(C)C	2028915132	MOODATMQYFXZTH-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CN[C@@H](c1ccc(C)c(C)c1)[C@@H](C)CCC(C)C	2029826226	SKSWMVNDMKBLNQ-WMLDXEAASA-N	247.426	4.636	0	10	BJAE	
CCC1(CNC[C@]23CCCC[C@H]2CCC3)CCC1	2031806200	WJRICECGNKHHQB-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)c1ccc(C2CCC2)cc1	2032269353	SNHFCEWTOAPDFA-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1CC[C@H]2CC[C@H]1C2	2035054651	YJDXTPFCUPEXFH-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
CC[C@](N)(CCCC(C)(C)C)c1cccc(C)c1	2037105444	KNPCHVLFCHXNDT-KRWDZBQOSA-N	247.426	4.775	0	10	BJAE	
O[C@H](CC1CC2(CCC2)C1)C1=CCCCCCC1	2037977156	SJOBEJUHMJGNCS-MRXNPFEDSA-N	248.410	4.598	0	10	BJAE	
CC1(CNC[C@H]2CCC3(CC3)C2)CCCCCC1	2038582685	JFLXQMLCHFYABX-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
C[C@@H](NCC[C@@H]1CC=CCC1)C1(C)CCCCC1	2039873342	VOMBOSQIMXQLIV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H]([C@@H]1C=CCCC1)[C@H]1CCC[C@H](CC)C1	2043189102	YJZJRCVPDKLCRP-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)[C@@H]1C=CCCC1	2043190309	IKEZTXYZRVQOBX-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H](C)C1CCCCC1	2043193741	ZGGTXGUNSDRMPT-LSDHHAIUSA-N	249.442	4.824	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CC2CCC=CCC2)C1	2045561299	WUOQQAXNUUUXFL-CZUORRHYSA-N	246.394	4.684	0	10	BJAE	
CC(C)[C@@H](C(=O)C1CCCCC1)c1ccccc1	2045673747	MMXPEICSHATAAN-MRXNPFEDSA-N	244.378	4.576	0	10	BJAE	
C[C@@H]1CCC[C@](CN)(C[C@H]2CC23CCCCC3)C1	2047013264	UNEDBUQESNEFJF-OWCLPIDISA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@@H]2CC23CCCCC3)C1	2047065658	OZFYPDXRFQVLGI-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048443917	VMGXGSCDHXDJMJ-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2[C@H]3CCCC[C@H]32)c1	2048449841	MUNFQXYAVPAYME-BJWYYQGGSA-N	243.394	4.658	0	10	BJAE	
CCNC[C@]1(C[C@@H]2C=CCC2)CCCC(C)(C)C1	2049510660	FUTANZAVOKJQAD-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
C[C@H](NCCC1=CCCC1)[C@H]1CCCC(C)(C)C1	2049530821	YXMATVOJDNHXGX-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)C[C@@H]2CC=CCC2)C1	2049539828	JPUSXRZMPUDTAR-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC(C)C1([C@H](N)C[C@H]2CCCC3(CC3)C2)CCC1	2049867479	VGAIXLBCUDVOKZ-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@H]2CCC3(CC3)C2)C1	2049962594	JACKVSVWQJJDKU-KFWWJZLASA-N	248.410	4.598	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H]2CC[C@H]21)C1CCCCCC1	2052286971	RLPLQGLHYIBUPT-RKTXRCNFSA-N	249.442	4.514	0	10	BJAE	
CC1([C@H](N)[C@@H]2C[C@H]3CC[C@H]2C3)CCCCCCC1	2052474887	FOPSMHDWKWOHDW-CAOSSQGBSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CCCCCCC1	2052505971	UMSHIRTXEPFXTM-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@@H]1C=CCC[C@H]1C	2055570926	DUIZLCDFXZTGFS-TWMKSMIVSA-N	249.442	4.536	0	10	BJAE	
C[C@H](CC1CC(C2CCC2)C1)c1ccc(N)cc1	2056647012	YHHAEQVWOVFHHQ-VEAWUBTESA-N	243.394	4.589	0	10	BJAE	
O[C@H](C=C1CCCCC1)[C@H]1CCCCC12CCC2	2056862092	FLXKHTDWXIBIAE-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C=C2CCCCC2)cc1C	2056874697	ZLKBGPGBEFTSSQ-KRWDZBQOSA-N	243.394	4.502	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H]1[C@H]2CCCC[C@H]21	2059250749	TWSDQROMZFHXBA-ZTNBSJNOSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@]1(CNCC(C)C)CCC[C@H](C)C1	2061566677	OXMXHVXGDPMDAF-IRXDYDNUSA-N	249.442	4.550	0	10	BJAE	
CCCC1CC(C(=O)CC2C[C@H]3CCC[C@@H]3C2)C1	2063418594	JBILLARAXXJSCI-OYPFRJMLSA-N	248.410	4.598	0	10	BJAE	
CCCCN(C[C@H]1CC[C@H](C)C1)c1ccccc1	2063442661	NHPSXDPZQCFQME-HOTGVXAUSA-N	245.410	4.729	0	10	BJAE	
CC1CCC(CC(=O)C2CC3(C2)CC3(C)C)CC1	2064132247	IXINMOXPXBKIIN-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@](CNC1CC1)(C[C@H]1CC=CCC1)C(C)C	2064490448	ZVTUOBDMXPUUMV-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](NC1CCC2(CCC2)CC1)C1(C)CCCC1	2067522876	XTEOFMXXDLFMRF-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CC(C)C(C[C@H](C)[C@@H](N)c1ccccc1)C(C)C	2069019400	OSMFWPZNQMQVDJ-WMLDXEAASA-N	247.426	4.641	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2C(C)=CCC[C@H]2C)CCC1	2069289678	MIOFZRGHXGIZAI-OWCLPIDISA-N	249.442	4.667	0	10	BJAE	
CC(C)=CCC[C@](C)(O)c1cccc(C(C)C)c1	2070399798	SSAWUHYTUIBRMZ-KRWDZBQOSA-N	246.394	4.764	0	10	BJAE	
CCc1ccc(OCC2(C(C)(C)C)CCC2)cc1	2071919116	YDHLRCHXDXDNTC-UHFFFAOYSA-N	246.394	4.844	0	10	BJAE	
CCCNC[C@@]1(CC(C)=C(C)C)CCC12CCC2	2072411979	WSZVEFNOQZQTQB-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CNC3(CCCC3)C2)CC1	2072808534	HBBSKXMIDRLGIL-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2C[C@H](C)NC[C@@H]2C)CC1	2072809835	QRZMHBYOFDHMFA-VGWMRTNUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)C[C@@]12CCCC[C@@H]1C2	2074024680	JQBVFWCIJUPOLZ-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@]23CCCC[C@@H]2C3)CC1	2074033932	OEMAQFPXVANKJA-GYXIZQIFSA-N	249.442	4.645	0	10	BJAE	
C[C@H](c1ccccc1)N(C)[C@H]1CCCCC1(C)C	2074795063	RAOGNBLFXUNIOA-ZBFHGGJFSA-N	245.410	4.648	0	10	BJAE	
CC[C@@H]1CC=C([C@@H]2CCCC(C)(C)[C@@H]2NC)CC1	2076395337	JQMRSDUCDHTYRC-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(-c2cccc(C(C)C)c2)ccc1O	2076811715	RSJAMXLDKJATDC-UHFFFAOYSA-N	240.346	4.745	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1CC(C)=C[C@@H](C)C1	2077189762	LHHIOSZPMXBQJO-COXVUDFISA-N	249.442	4.703	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@H]2CCC3CC2C3)c1	2077262547	AZEBKWPWHSDDKF-PXCJXSSVSA-N	241.378	4.555	0	10	BJAE	
C[C@H]1CCC[C@@H]1CNc1ccccc1C1CCC1	2077263563	YXSZDYQMIYXLPN-DZGCQCFKSA-N	243.394	4.802	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@H]1C[C@@H]1C(C)C	2079561597	HWEJPSSRTDBUND-KBRIMQKVSA-N	246.394	4.526	0	10	BJAE	
O=C1CCCC[C@@H]1C[C@H]1C[C@H]1C1CCCCCC1	2079841591	JTGLLKXQOZPMOC-PMPSAXMXSA-N	248.410	4.742	0	10	BJAE	
CCN(C[C@@H]1C[C@H]1C(C)(C)C)c1cccc(C)c1	2080082188	IVXUKEFSAKGQTP-GOEBONIOSA-N	245.410	4.504	0	10	BJAE	
CC[C@@]12CC[C@@](CCC3CC(=C4CC4)C3)(CO1)C2	2082062588	ORWZYOGVAHLJQG-SJORKVTESA-N	246.394	4.616	0	10	BJAE	
CC1(C)C[C@@](N)([C@@H]2CCC3(CCCC3)C2)C1(C)C	2084345878	TWQZJKFPWKCVSA-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CCCCCCCC1CC1)NCC	2213576696	SXGGJWFPNBUYKQ-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](N)CCCCCCC1CC1	2213578911	BCTFYLRVHNPUJU-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
Cc1cc2cc(Cl)ccc2n1C[C@H]1CC[C@@H]1C	2215107079	YMCVMVORIFEAHD-CMPLNLGQSA-N	247.769	4.649	0	10	BJAE	
CCCCCC1CC(O)(CC[C@@H]2C[C@@H]2CC)C1	2215253805	PDHGXVQAERMLDY-PWUWZPNHSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@@]1(C)C[C@H]1C)C(C)(C)CCC	2216277023	FGORFVBASOQYHN-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)[C@H](O)CCCCCCCC1CC1	2216891962	CEJJWHCWEKVIDV-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CCCC(C)C)C1CC1	2217135993	KCZACAGDJAODQT-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218373424	JCAXDMUOWSOZPF-UGQVUOCMSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(CC=Cc2ccccc2)c(F)cc1F	2219073003	FGEOEBHQYTZPEM-UHFFFAOYSA-N	244.284	4.529	0	10	BJAE	
C1CCC2(CC1)C[C@@H](CCCCC1CC1)CCN2	2220043939	GBJMXKXZOKSLPE-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
N[C@H](CCC12CCC(CC1)CC2)C1CCCCC1	2220289554	ZLXFGSFVNZPRJJ-ARWYELJZSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CC1(C)CC2(CCC2)C1)C1(CC)CC1	2221014373	BZEDGPMUGBLDQL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC2CC(C(C)C)C2)CC1	2221641330	UPUMEHIMMUWULT-VMBOVVBDSA-N	248.410	4.764	0	10	BJAE	
CC(C)[C@@H](C)C1(CNC2CCC2)CCC=CCC1	2223570307	YVLZQKWVDUWNMO-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@@H](C)C1CCC1)N2	2224122991	CUHKJJUBLFNNDC-CZUORRHYSA-N	243.394	4.548	0	10	BJAE	
CC(C)(C)C[C@H](O)CC[C@H]1CCCCC12CC2	2246608486	ZOFGDABDYUNOEK-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(C)CCC[C@@]2(C)O)C1	2246731282	ZPCZWVVEXDMWBA-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CCCC[C@H]1C[C@H]1C	2247176767	RNPQKAZIDRZZFZ-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@H]1CCC12CCC2	2247393205	CUORKQMQUOQVGN-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CC(C)=CCCNc1cccc(C(C)(C)C)c1	2249298542	RELIJTSMGUUNTN-UHFFFAOYSA-N	231.383	4.752	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC12CCC(CC1)CC2	2250351792	GPQRNJNBNTYUID-PYBGIAKNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCCCCCC1CC1	2250352910	PSIWMPWCXVMZTO-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@@H]1CCC[C@@H]1C)NCC	2250361028	JFQUKHYYYJFSQM-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(CN)CC=CC1	2250515867	CWOGMEUATFOUCQ-HNNXBMFYSA-N	237.431	4.524	0	10	BJAE	
C=C=CC[C@@H](CC[C@H](C)CCCC(C)C)NC	2250530945	WNZHLCRSXXPTON-CVEARBPZSA-N	237.431	4.548	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@]12CCCC[C@H]1CC2	2251127354	UCCSJKDEUKMJGM-HOCLYGCPSA-N	234.383	4.662	0	10	BJAE	
Clc1ccc(NC[C@@]23CCCC[C@H]2CC3)cc1	2251171854	QDDKGRNTHRNRNR-WFASDCNBSA-N	249.785	4.722	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)C[C@@H]3CCCC[C@H]32)C1	2253932586	UYONACZTPVZHJA-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@@H]1CCC1(C)C	2254832974	NKWWNARDMXABOF-XJKSGUPXSA-N	246.394	4.670	0	10	BJAE	
CCCCc1ccc(NCC2=CCCCC2)cc1	2255090933	FISZEWQYBXBUJG-UHFFFAOYSA-N	243.394	4.942	0	10	BJAE	
CCCc1ccc([C@H](N)C[C@H](C)CC(C)C)cc1	2256293168	CKZMBNHHJBGOPW-RHSMWYFYSA-N	247.426	4.711	0	10	BJAE	
CNC[C@]1(CCCCC[C@H]2C[C@@H]2C)CC=CCC1	2257279756	DBXSZTCKSOBSFZ-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@]23CCC[C@H]2CC3)CC1	2260537750	KYMVZQLAOXIIEW-LTIDMASMSA-N	249.442	4.515	0	10	BJAE	
FCCCCCNc1cccc(C2CCCC2)c1	2260724503	CDMURPYSGSCFJU-UHFFFAOYSA-N	249.373	4.896	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)c2ccccc2)C1	2261250128	KWBMLUDCKAEMRD-UHFFFAOYSA-N	244.378	4.722	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CCC[C@@H](CN)C2)C1	2261304340	JEPAOKQNDWWGRQ-QQFBHYJXSA-N	249.442	4.524	0	10	BJAE	
CC[C@@](O)(CC[C@@H]1C[C@@H]1C)CC1CCCCC1	2298125683	SDJSWQWACYGOAK-NUEKZKHPSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC[C@@H]1C[C@@H]1CC)NCC	2298645968	FMYDUVBDNUMSGM-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@@]12CCCC[C@@H]1CC2	2298713047	HHNYWKAIQVAIMC-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC[C@]12CCC[C@H]1C2	2300501932	TYTMVAQTOLVOEJ-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CC(=CCCCC(=O)C1CC1)CCCC(C)C	2300866057	VSDHCOKAUPXPFV-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
CC(=CCC(=O)C[C@@H]1C[C@H]1C)CCCC(C)C	2300905150	VYYGANPRBDJZDA-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC2CCCCCC2)C1	2301147897	OCSCLPGRLCYDRH-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCC1(C(=O)CC2CCCCCC2)CCCC1	2301235249	BCEPMIPGNZXIBW-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(N)[C@H](C)C(C)C)CC1	2301946677	VROUMBKLDFGIDE-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)[C@@H](C)[C@H](C)C(C)C	2301951702	CAGONINJAQCECR-IJEWVQPXSA-N	241.463	4.719	0	10	BJAE	
CC(C)CN(CCCC1=CCCCC1)C(C)C	2302358066	BVSOGKVMKRXSTB-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CN[C@H](CCC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2302902141	MZPSCDVJHSZKBV-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1CC[C@@H]1C(C)(C)C	2303474924	IOCZTVQGBPLPAB-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@H](C)C(C)C)c1	2303716705	AYARPSQBNNKGOS-BBRMVZONSA-N	234.383	4.526	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@]2(C)C=CCC2)C1	2304422573	JJQYDBPLQNKIOP-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C[C@H]1CCCC12CC2	2307896033	XWOPSNIJBVGEBJ-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)[C@@]23CCC[C@@H]2CC3)C1	2313296011	SYPJUYGOOVNKEG-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)C(CC1CC1)CC1CC1	2313608327	KTJJFMSEYGAGAE-SUMWQHHRSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@]1(CNC2CC2)CC=CCC1	2316272477	DNKOYWGSFHCUAA-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(=CC=C1C[C@@H](C)CN[C@@H]1C)CCCC(C)C	2316537684	RUWGQPZUTURESD-HZPDHXFCSA-N	249.442	4.703	0	10	BJAE	
CCCN[C@H](C)CCC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317147600	DUNICDJGVXCSLA-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C=C1CCCCC1)CCC1=CCCCC1	2317908300	XQVPSWMGPRHFEW-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
O[C@H](CCC1=CCCCC1)C[C@@]12CCC[C@@H]1CC2	2317961437	FOPDPVBYHMLZOA-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1[C@@H](C2(N)CCC3(CCCC3)CC2)CC1(C)C	2318254070	KDMCQLNHLQZMFD-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)C[C@@H]2CCC23CCC3)C1	2319124357	RNXVLCJPYWONHT-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC[C@@H]2C[C@H]21)C1CCCCCC1	2319251737	HHFVCVBQPOPHFW-MWQQHZPXSA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@@H]1CCC(C)=C(C)C1	2320329377	TYPIGXBIWOCILO-IAGOWNOFSA-N	249.442	4.977	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](O)c2ccc(C)cc2)CC1	2320336048	FEEKJPHKQBLMTB-NVXWUHKLSA-N	244.378	4.555	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@H]2C=CCCC2)c1	2320578331	PZGCCTQYBSITHV-YOEHRIQHSA-N	244.378	4.590	0	10	BJAE	
CC1(C)CC[C@@H](CCNCC[C@@H]2CC=CCC2)C1	2321614018	QMCXFLNAWDTVIY-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@@H](CCC2(CN)CC3(CCC3)C2)C1	2321615378	DUPZWKYRQSYHGR-AWEZNQCLSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC[C@H](CCC2(N)C[C@H]3CCC[C@@H]3C2)C1	2321650495	UEPUJJQLGKCHLB-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1cc(C)cc(C)c1C	2328273685	CVUORJLJQMPVKL-WBVHZDCISA-N	248.410	4.862	0	10	BJAE	
CCCCC[C@H](C)Nc1ccc2[nH]ccc2c1	21062818	VXDKCIPNGDMMGK-LBPRGKRZSA-N	230.355	4.549	0	10	BJAE	
c1ccc(CNc2ccc3sccc3c2)cc1	36976030	RKJIIDYRILNVFU-UHFFFAOYSA-N	239.343	4.513	0	10	BJAE	
CCCCCC(=O)c1cc(C)c(Cl)cc1C	70023474	LDCGITIGWPJQSZ-UHFFFAOYSA-N	238.758	4.720	0	10	BJAE	
CCCCCC[C@]1(N)CCC[C@@H](CC)CC1	83435200	WOINOZYPBHWJCD-CABCVRRESA-N	225.420	4.645	0	10	BJAE	
CSc1ccccc1N[C@H]1CC[C@H](C)[C@@H](C)C1	84984077	AHFMYRRJVRROME-AVGNSLFASA-N	249.423	4.645	0	10	BJAE	
CCC[C@H]1CCC[C@H](Nc2cnccc2C)CC1	86946898	BVIBZWFLHBMZRC-GJZGRUSLSA-N	246.398	4.551	0	10	BJAE	
CC1(C)CCC(N[C@@H]2CCCCC2(C)C)CC1	94279686	OGVOZPBAXWPIAY-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1Cc2ccccc2C1=O	103930269	RFXWMXVHNQNXJJ-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
CCC[C@@H](C)C[C@H]1CCCc2ccccc2C1=O	103930294	AJNQFEUJFHANDR-UKRRQHHQSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@H](CC)c1nc2cc(C)c(C)cc2[nH]1	103934688	AGKNOROTRLAFPX-ZDUSSCGKSA-N	244.382	4.864	0	10	BJAE	
CCC[C@@H](C)[C@H](O)c1ccc([C@@H](C)CC)cc1	104044269	BKUHSENXJWDQAH-ZENOOKHLSA-N	234.383	4.670	0	10	BJAE	
C/C=C\[C@H](C)Cc1ccc(SCCC)cc1	107603452	CJOWKMRZWCKHNU-AGLBCWCQSA-N	234.408	4.943	0	10	BJAE	
CCCCC1CCC([C@@H]2CCCCCN2)CC1	110109065	GSMSMYYAYWZJGF-GPANFISMSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](c1ccc(CC)c(CC)c1)[C@@H](C)CC	128018661	UIXPRBJXIBYBCC-GUYCJALGSA-N	247.426	4.508	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1CCC(C)(C)C[C@H]1C	155928567	PUCLKUSTAQWRNB-RISCZKNCSA-N	249.373	4.761	0	10	BJAE	
CCC(CC)C[C@H](O)c1cc2ccccc2s1	157334631	FJCTYFSPMMMJMW-ZDUSSCGKSA-N	248.391	4.761	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)C[C@@H](C)C(C)(C)C	162466743	VUTCABBJAYNROK-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1C)[C@H](C)C(C)C	163459720	CXFWJWHLXHGDMN-PBHICJAKSA-N	247.426	4.636	0	10	BJAE	
CCCN[C@H](CCCC(C)C)c1ccc(C)cc1	165800300	ZALPUEBOGQXOMR-QGZVFWFLSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)C[C@@H]1CC(CC)CC	167560071	PJWFSJLGOCZALA-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cc(Cl)cc(Cl)c1	168052741	BJTMGBPAVNUHFR-MRVPVSSYSA-N	245.149	4.612	0	10	BJAE	
CCCC(CCC)[C@H](NC)c1ccc(C)c(C)c1	211859948	NFFXPNSSLFOJKV-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)CC1CCCCC1	212021160	WMOOHENPNOBQIV-ZROIWOOFSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@H](O)c1cccc(Cl)c1C	220548343	WOAJJQCOESUPTE-AWEZNQCLSA-N	240.774	4.652	0	10	BJAE	
C[C@H]1CCCc2[nH]c([C@@H]3CCCCC3(C)C)nc21	226774063	ZRMGXTYUOIFIML-RYUDHWBXSA-N	246.398	4.533	0	10	BJAE	
CC[C@@H](C)CC(=O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2	229145596	YQRLVZFYSNINJM-MZWRDOSVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)c1cc(C)ccc1C	229331929	OHMCZAPWKCICCS-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
CC[C@H](Nc1cc(C)ccc1Cl)c1ccco1	232229515	QENULXUDGBMFKS-LBPRGKRZSA-N	249.741	4.805	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cc(C)ccc2Cl)C1	232230146	GPCYZTJPZXHUHM-RYUDHWBXSA-N	237.774	4.639	0	10	BJAE	
CCCC(O)(CCC)C1=CCCCCCC1	232905152	IYOZHJWQGHKHRB-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
Clc1ccc2c(c1)[C@H](C1CCCCCC1)CN2	236068788	NXSRWLNSNPIRPJ-AWEZNQCLSA-N	249.785	4.820	0	10	BJAE	
Cc1cccc(CC2C3CC4CC(C3)CC2C4)c1	248329653	DQTNJZFZCYTILQ-UHFFFAOYSA-N	240.390	4.610	0	10	BJAE	
CCCCC[C@@H]1C[C@H](c2ccccc2)CC[C@H]1O	250811468	HQGFRDWBCZPMLW-BRWVUGGUSA-N	246.394	4.512	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCCC[C@H]1C(C)C	251858907	OEASJUDROTWORU-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
C[C@H](C[C@@H](O)CCCC(C)(C)C)C(C)(C)C	300797873	DIOUPBMUSUYTCZ-OLZOCXBDSA-N	228.420	4.636	0	10	BJAE	
Cc1cc([C@@H](O)CCC(C)(C)C)sc1Cl	300929470	UUSCQUYYEXJAFI-VIFPVBQESA-N	246.803	4.570	0	10	BJAE	
Cc1ccc([C@@](C)(N)CCC2CCCCC2)cc1	302239440	CMTNUMOJHGJBHI-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CCC[C@H](Nc1ccc(Cl)cc1C)C1CC1	304394425	ZHXRGDUMXSBWGV-AWEZNQCLSA-N	237.774	4.639	0	10	BJAE	
CCCCCC[C@H](O)[C@H](CCC)CC(C)C	308037894	WODBXWZKOMWKRC-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1ccccc1CC	308061247	ZVFUHYRDAUJZCB-OAHLLOKOSA-N	246.394	4.894	0	10	BJAE	
Cc1cc(C(=O)CC2CCC(C)CC2)ccc1F	310810550	ZLODZAOEURVWOH-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1C[C@H](CC2CCCCC2)Nc2ccccc21	310831795	YZYLSIPFSOLHEY-UKRRQHHQSA-N	243.394	4.945	0	10	BJAE	
CCC[C@H](NC1CCCCCC1)C1CCCC1	313456721	BQUJURBVYFHWPW-INIZCTEOSA-N	237.431	4.658	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCCC2)CCCC[C@@H]1C	317239627	AFBBUDQYMISNET-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)[C@]1(CNC(C)(C)C)CCC[C@@H](C)C1	318522470	IGBGVPRTGSNAOW-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C2CCCCCC2)C1	383874501	IJJGMDPAMXJKJI-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCc1cccc(NC[C@@H](C)C2CCCCC2)c1	386480131	IFWGKRFZKWUDBC-CQSZACIVSA-N	245.410	4.877	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@@H]2C[C@H](C)[C@@H]2C)cc1	386802248	MUMLIBACUCXBCB-AYMQEEERSA-N	245.410	4.505	0	10	BJAE	
CCc1c(C(F)F)sc2c(CC)cccc12	396170540	VYFVDQDJZRDMHH-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CSc1cc(C)c2sccc2c1C(F)F	396411672	UBERHKQWRAJXIT-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)CC1(C)CCCC1	401313768	YSVLLKYYEVFQBB-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C[C@H]1CC=CCC1	402336840	NJNLMAHFWGLAIY-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@H](O)C2(C(C)C)CCC2)c1	686926535	VSLOJZJUKWRCES-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CC(C)c1cccc([C@@H](O)CC2CCCCC2)c1	688940466	SEFMRMBKHVFEGD-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CC(C)CCCC1(CNC(C)(C)C)CC=CC1	690475450	ZAFHOSNFMYBBCH-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCCCC[C@H]2C)c1	691076371	XVKIYFFTACKSAN-UKRRQHHQSA-N	231.383	4.684	0	10	BJAE	
CCCN[C@H](CCC1CCC1)[C@]12CCCC[C@H]1C2	693217480	PUGJIRNIYNSIDB-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1	695299297	JERYTNUQIBSVKE-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H](CNC(C)(C)C)C(C)C	696677336	JDGLQUYFUGOCCO-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccc(CC(C)C)cc1	697293102	VUAYBOJQYNUQGH-MRXNPFEDSA-N	248.410	4.745	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@H](CCC=C(C)C)C1	697836271	QDZTWNJHCJVLBV-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
Cc1cccc(NC2C(C)(C)CCC2(C)C)c1F	699619293	AWPVFLRMAITNOK-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@H](C[C@H](CC)CC(F)F)NCCC	701561612	NQOBCGGQPXEETB-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@]2(N)CCCC23CCCCC3)C1	704446266	WXFIIQICDFLTTB-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C1CCCCCCC1	704800378	YJHBGCSAVIMQAB-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](C)Nc1nsc2ccccc12	706136092	LKIVGAVKEZNGPR-NSHDSACASA-N	248.395	4.677	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@H](C)CC(C)(C)C	708257845	SYQZKPAVHJOKIM-QWHCGFSZSA-N	227.436	4.602	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@@H](C)CC(C)C	708298461	SQBASWSTCBOPDN-GJZGRUSLSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@@H](C)C(=O)C[C@@H](C)CC(C)(C)C	709213762	RTHCOVSWDMCAKG-CHWSQXEVSA-N	226.404	4.844	0	10	BJAE	
CC[C@@H](C[C@H](NC)C1CCCCC1)C(C)(C)C	711093979	LFMZPNVPQWVNLI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@@H](N)C1=CCCCCC1)C(C)(C)C	711215613	VJGKQYUMQBACQR-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
C1CCCC(CN[C@@H]2C[C@@H]3CCCC[C@H]32)CCC1	712377130	KKGDNKWVYHBECP-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](CC(C)(C)C(C)C)C1	713174234	JZWMOKWORIQGJR-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(CC)c1NCC(C)(C)CC	713229455	GNDNGVGHWGOKRP-UHFFFAOYSA-N	233.399	4.660	0	10	BJAE	
CCN[C@H]1CC(C)(C)CC[C@@H]1CC(CC)CC	717535713	VKNBQKGZWDMWSF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCC(C)(F)F)CC(C)(C)C	718574853	MHCGTBZHEYGRGD-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CCC1)C(C)(CC)CC	721675475	PRDLBDWMQFYJRP-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)C)C(C)(CC)CC	721749423	SLHOZAFHKVRFJG-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1csc2ccccc12	723129779	WYYCXFIQXQVEOY-WDEREUQCSA-N	244.359	4.520	0	10	BJAE	
CC1(C)CC(CNc2ccc(C(C)(C)C)cc2)C1	723536184	VRILNOMKKIKVDG-UHFFFAOYSA-N	245.410	4.832	0	10	BJAE	
Cc1ccc(N)cc1-c1cccc(C(C)(C)C)c1	1241301352	UOMVZTHYEQRYMT-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CCCCC1(NCC[C@H]2CCC[C@@H](C)C2)CC1	1308141925	FFQXWPUYHGYVOB-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C(=C\c1ccccc1)\CCSCc1ccco1	1472926357	ATMOXABTXOHRMO-WTKPLQERSA-N	244.359	4.616	0	10	BJAE	
Cc1ccc(SC[C@@H]2CCCC[C@H]2C)cc1	1472938400	HHIPCLNKXGQXLS-KGLIPLIRSA-N	234.408	4.913	0	10	BJAE	
CCC[C@H](NC[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	1645702258	DHUCJWGHNYYBDW-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCc1ccsc1[C@@H](N)CCC(CC)CC	1900695891	GZWRCKVANODVET-ZDUSSCGKSA-N	239.428	4.527	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)C2CCCCC2)CC1	1909703805	UWHXOMCDLRAGPL-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCC(=O)CCCCC=Cc1ccccc1	1911747747	OCVKSWFLWHMLDX-UHFFFAOYSA-N	230.351	4.629	0	10	BJAE	
C=CC=CCC[C@H]1C[C@H](C(C)(C)C)CCC1=O	1911778378	NPEBWOYBZZLTHX-UONOGXRCSA-N	234.383	4.540	0	10	BJAE	
C=CC=CCC[C@H]1CCCC[C@@H]1CNC(C)(C)C	1912013586	GGMTYMXLKWDZTQ-JKSUJKDBSA-N	249.442	4.703	0	10	BJAE	
C=CC=CCC[C@@]1(CNCCC)CC[C@H](CC)C1	1912104937	FITZUOURYDYFHX-DLBZAZTESA-N	249.442	4.705	0	10	BJAE	
CCCC=CCN[C@@H]1CCC[C@H](CC(C)C)C1	1914680614	VCWULGLCSMLVOR-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCCC=CCN[C@@H](CC)c1ccc(CC)cc1	1914683216	ZYFRKIHKUPZBIZ-KRWDZBQOSA-N	245.410	4.646	0	10	BJAE	
CCCCCC[C@H]1[C@@H](NCC)C[C@@H](C)C[C@H]1C	1916065942	SUNSYVAHPUQXDR-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1CC[C@@H]2C[C@@H]2C1	1917450566	LPPSYKOZZWWKFX-WCXIOVBPSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CCC[C@](C)(O)CCc1ccccc1	1919917803	OIXMPPJPERLSGN-KRWDZBQOSA-N	248.410	4.587	0	10	BJAE	
CCCc1ccc([C@](C)(O)CC(C)(C)CC)cc1	1920021299	GKGRWYSIDHBLBT-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C[C@H](C)CC(C)(C)C	1920188288	TZMWYHNZMVZVPB-SQWLQELKSA-N	241.463	4.993	0	10	BJAE	
CCCN[C@H]([C@@H](C)C1CCCCC1)C(C)(C)C	1924148518	LZKMTNWEUPWSNC-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C[C@H]1C=CCCCC1)NCC	1925900554	HEEHFOXGMWNKLH-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CCN[C@@H](CC)c1ccc(C)cc1	1926171759	AUYYYJZIOKAWFL-KRWDZBQOSA-N	247.426	4.862	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2C=CCCCC2)C1	1934208450	CBGBRUWPUVEEAY-UONOGXRCSA-N	206.373	4.949	0	10	BJAE	
CCCCC[C@H](CCCCCC1CC1)NC	1936421503	UGUXWENBVPRGIA-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](O)(CC2(C)CCCCC2)C1	1940410236	QYRIKZBVWWXHGP-MIFYACCESA-N	238.415	4.534	0	10	BJAE	
CC1CCC(CC(=O)CC[C@@H]2CC2(C)C)CC1	1940853907	SJRUNEIGLRIWLD-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@@H](CC)C(C)C	1941266737	JEAYTPRFDXUPJG-JKSUJKDBSA-N	237.431	4.559	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(CCCCCC2CC2)C1	1941580812	DLWLSAQQKPOCBF-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@H](C)CCC(C)C	1942655954	LDYPLJNYTNKETB-OAGGEKHMSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944199824	QENXSDMBTVZRPM-ZVDSWSACSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@]1(CNCCC)CCCC1(C)C	1944479945	GSFPJLSSVLTBQZ-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2CCC(C)(C)C2)C1	1945582308	LTIVGFDTGVEPJJ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](NC1CCCCCCCCC1)C1(C)CC1	1947864582	GLFYIFZGGNLZRD-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CCC(F)(F)CC)C1	1947991933	YBYQSBJYXMBDBD-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCCN[C@@H](C1CC(C)(CC)C1)[C@@H](C)CCC	1948412646	GQWMQIZRNMMUDB-JWMHWRSXSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@H]2C[C@@H]3CC[C@@H]3C2)c(C)cc1Cl	1948808113	XMFLSCAYWFKRQT-CLLJXQQHSA-N	249.785	4.557	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@](C)(N)CC1CCCC1	1949055046	QFXORDHCYHBBLE-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](C)(N)c1cccc2sccc12	1949071713	XHBPDFFPSGHOCN-HNNXBMFYSA-N	247.407	4.656	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)[C@@H]1CCC2(CCCC2)C1	1949536353	ZOFAYMOJLGWTCE-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@@H](N)CC[C@H]1CCC2(CCCC2)C1	1949551823	NBLRZAKFHZKHNP-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(CNCC(CC)CC)CC1	1963217551	ZDWPUNCWZKTOON-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C1CC[C@H]2C[C@H](NCCCCC3CC3)C[C@H]2CC1	1965903344	LJYIVGAMTMCZMH-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CN1CC[C@H]1CC(C)(C)C	1966537392	UTZIEODBNWFYBV-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1NC[C@@]1(C)C=CCCC1	1967836865	JWWQWERBCUVXQB-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CNC[C@]1(C)C=CCCC1)C1CCCCC1	1967837128	MXQSRHMVHZBLQW-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCCC1CC(Nc2cccc(Cl)c2)C1	1968258539	AJKLPPATJBQYIR-UHFFFAOYSA-N	237.774	4.721	0	10	BJAE	
CCN(CCC1CCCCC1)c1cccc(C)c1	1968549927	REHIADIXFJHALE-UHFFFAOYSA-N	245.410	4.792	0	10	BJAE	
CCC[C@H](C)N[C@H](c1ccccc1)C1CCCC1	1969086019	FJXVYCMVLKMFAJ-WMLDXEAASA-N	245.410	4.696	0	10	BJAE	
Cc1cc(O)cc(-c2cccc(C(C)(C)C)c2)c1	1969843305	XNOQIEHKVBMFJQ-UHFFFAOYSA-N	240.346	4.665	0	10	BJAE	
CCCNC[C@@](C)(CCC)CCC=C(C)C	1978654942	PCGUOMGOHAGFQR-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CCC[C@H](CC)Nc1cc(F)c(F)cc1Cl	1980289539	UKJMZQAZZDGRAG-QMMMGPOBSA-N	247.716	4.609	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H](C)CCC	1984634019	CIUCNQGXJAWLPM-YKHJJTLOSA-N	225.420	4.537	0	10	BJAE	
CCCCC(C)(C)N[C@@H]1CCC[C@H](CC)C1	1987101099	DMKPVJQNEXULEM-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1cscc1C(F)F	1988302177	KCFREFGQMPGUDF-MRVPVSSYSA-N	246.322	4.551	0	10	BJAE	
CCCCCc1ccc(C(=O)CCCC)s1	1991779166	YLIJEVVGKZBZQR-UHFFFAOYSA-N	238.396	4.854	0	10	BJAE	
CC(C)(C)c1coc2c(F)c(F)c(Cl)cc12	1995463153	GKQXXHLCUOFHJC-UHFFFAOYSA-N	244.668	4.662	0	10	BJAE	
CCC1(N[C@@H]2CCCC(C)(C)C2)CCCCC1	1995690659	GYWZAUBRAMLCQV-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CC(C)=C(C)CCN1CCC[C@@H]1c1cccs1	1995751741	MWSMWXOOGFLKST-CQSZACIVSA-N	249.423	4.631	0	10	BJAE	
CC(=CCCNC(C)(C)C)C[C@H]1CC[C@@H](C)C1	1996265547	AQWWNHITVZAPEF-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C1CCC(C)(C)CC1	1996562959	ZJDYSNCMMDLCIJ-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCCC(C)(C)[C@@H](CCC[C@H]1CC1(C)C)NC	1996611581	SLJRKGZTNFAXPB-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)C1(N)CC(C)(C)C(C)(C)C1	1997775332	CYWVKBOYQILNNC-ZDUSSCGKSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)C[C@@H]1CCC=CCCC1	1999978858	JRALRCOCDVSFHZ-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CCC=CCCC1)C1CC1	1999989198	XTRKQOHMGVJUFH-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CCCCC[C@H](C[C@H]1CC12CCCCC2)NC	2001220190	SBEVHTDVOKOACC-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H]1CCC12CCC2	2001850977	KDGVGFSXLQPRPA-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@@](C)(O)[C@H]1CCCC(C)(C)C1	2003007486	QGNWCHYWNTUWMX-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)C[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2003019884	YBWAFICTXLOXQT-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CC1(CCC[C@@H]2CCCCCCCC2=O)CC1	2003072731	CPIFXZTWHNWCEY-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
CCCCCC1CCC([C@@H](O)[C@@H](C)CC)CC1	2003109039	RHADXBDSXYLFMS-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CCCC1(N)C2CCCC1CCC2	2003332451	QCLDDBAYEDLILP-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)C1(C)CCCCCCC1	2006719974	YSZRZXSJKWJVEW-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCc1cccc2ccn([C@H]3CCC[C@H]3C)c12	2006720444	BMFCRLQHSMETNQ-DOMZBBRYSA-N	227.351	4.565	0	10	BJAE	
CC1CCC(C)([C@H](O)CC2CCCCC2)CC1	2007693461	FWGWQRFTDPHJOR-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
CC1(CC[C@]2(N)CCCC[C@@H]2C(C)(C)C)CC1	2009551828	KOTIKEKSVPLRGN-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CCC2(C)CC2)CC1	2009553179	XNOATNZWPUKONS-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC=CCCCOc1ccc(C(C)(C)C)cc1	2009578030	OARGPTTZFJAWBQ-UHFFFAOYSA-N	232.367	4.719	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](C)CC[C@H]1NCCC	2009619630	NKFGXOJLRRIYDV-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(O)(CCC2CCCCC2)C1	2009713963	JFNVFAJWXSZPAE-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CC1=CC[C@H](C(C)(C)C)CC1	2010728794	IVPNVTRZGFDSHF-SNPRPXQTSA-N	237.431	4.523	0	10	BJAE	
CCC(CC)(CC)C(=O)CC[C@]12CCC[C@@H]1C2	2011016077	LEINTCACXCAJDO-CJNGLKHVSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCC12CCCC2	2013271082	ONOHMDURIBPLDC-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC(C)C(CC[C@]1(N)CCCC1(C)C)C(C)C	2015348863	ZFTZEXMYBOKGJZ-MRXNPFEDSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)C[C@H]1C[C@H]1CC	2016852571	RGUPJYZOHDRSFQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)[C@H]1CC[C@H](CCC)CC1	2017654599	FQUANQXGQJMLSL-KLHDSHLOSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC[C@H](O)C2CC2)CC1	2017724605	HKVRCNBJPYMGQS-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H](CN)C(C)C)CC1	2017735052	DFBNYSCKJBLAAD-BZUAXINKSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@H](CC)N(C)C1C[C@@H](C)C[C@H](C)C1	2018185292	WXOYFUUKBPHNIR-KKUMJFAQSA-N	239.447	4.712	0	10	BJAE	
CCCC1(COc2ccccc2C(C)C)CC1	2018918468	ULIDCMBHGVMBGH-UHFFFAOYSA-N	232.367	4.769	0	10	BJAE	
CC[C@@H](C)[C@H](C)N(C)C1CCC(C)(CC)CC1	2019383707	DNULOGFVTLMLGZ-QVOMUQBLSA-N	239.447	4.712	0	10	BJAE	
C[C@@](O)(CCC1=CCCCC1)CC1CCCC1	2019774953	XWFYSEDOYLXNMN-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCN(CC1(CC)CC1)C1CCCCCC1	2020504557	PNMGGNOMBCNYTB-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@H]1CCCCC1(C)C	2020974954	WDCYHUXCNIEHKN-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1C[C@H]1C1CCC1	2022386574	ZQQMXMHOJWXTKH-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCc1ccccc1[C@H](C)Nc1csc(C)c1	2023030596	QOHVPHDUABRIQJ-LBPRGKRZSA-N	245.391	4.792	0	10	BJAE	
CC(F)(F)CCCCC(=O)[C@]1(C)CC=CCC1	2023354184	WVMFGSOAKNRGSB-CYBMUJFWSA-N	244.325	4.518	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@H]1CCCC(C)(C)C1	2024090932	CXTREXYUTKTSED-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@H](C(C)C)C2)c1	2025572121	OKEXOFWRCBNNQT-LSDHHAIUSA-N	231.383	4.540	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C1=CCCCCC1	2026166501	KFJMWHTYPAGRFV-HOCLYGCPSA-N	237.431	4.811	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2[C@@H](C)[C@H](C)CC[C@H]2C)c1	2027792501	FMJPYLNQFIENFW-PNBKFKSVSA-N	245.410	4.786	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)c1cccc(C)c1	2027833801	WIMGTLWWMPKBOW-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@@H]1CCCC1(C)CC1	2027835875	FPIUICJBEUJUAX-DZGCQCFKSA-N	243.394	4.630	0	10	BJAE	
CC(C)NC[C@@]1(CC2CCCC2)CC=CC[C@@H]1C	2027921724	XRHXDXBWXMGRIP-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1CC[C@H]2CC[C@@H]21	2027997291	ZUTWNUADLBWZSB-HYVNUMGLSA-N	241.378	4.555	0	10	BJAE	
CC1(C[C@@H](O)c2ccccc2C2CCC2)CCC1	2029076336	YLRDQYPCTMSCGE-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CCN[C@@H](c1ccoc1)C(C)(C)C1CCCCC1	2032294069	UVBSNZJYHZBCJN-HNNXBMFYSA-N	249.398	4.537	0	10	BJAE	
C1CCCC2(CC1)CCN(CCC1CCCC1)C2	2032391023	HOEGPOVTZDVSBD-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCC1(C[C@@H](N)C23CCC(CC2)C3(C)C)CCC1	2033435841	WPWYGXBOGQWHAH-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)C[C@H]2C=CCCC2)C(=O)C1	2035569106	ZZYHZVVKJBIKTK-QLFBSQMISA-N	248.410	4.764	0	10	BJAE	
CCCC1CCC([C@H](C[C@@H]2C=CCC2)NC)CC1	2035594779	VCZASGFKBVEOPI-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](N[C@@H]2C[C@@H]3CCCC[C@@]3(C)C2)C1	2036664953	MVAUIEFSYOJPEG-MPTYRVRUSA-N	249.442	4.514	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@H](N)CC2CCC(C)CC2)C1	2037040071	DVXWUZOZOXFAMU-UIVBHQFXSA-N	249.442	4.523	0	10	BJAE	
CCC1(C[C@]2(N)CCC3(CCCCC3)C2)CCC1	2037107213	XMHSICVVHCMNMB-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
C[C@](N)(CC[C@H]1C[C@@H]1C1CC1)CC1CCCCC1	2037129975	IOJUXDNKPBDTBS-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C1CC2(CCC2)C1	2037134041	NVZASVMVNKKDPW-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC1([C@@H](N)[C@@H]2CCC3(CCCC3)C2)CCCCC1	2037762683	QQQKERJBOGELQT-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C1=CCCCC1)[C@@H]1CCCC(C)(C)CC1	2039374418	GWBDMEUPRIDIME-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C1CCC2(CC1)CCC[C@@H](NCCCC1CC1)C2	2040762360	CCRMEUPUJJBBTJ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC(C)(C)C1CC(C[C@@]2(N)C=CCCC2(C)C)C1	2043002330	NGMAGPNVVBFRHJ-KVULBXGLSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)[C@@H]1C=CCCC1	2043186208	CLDQYXZHWHOBBC-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@H](C)C1CCCCC1)[C@@H]1C=CCCC1	2043191868	SNLOCCSTCZXSLD-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)C1CC(C2CC2)C1	2045313806	CPSHPAODXPHJMA-IUDNXUCKSA-N	246.394	4.518	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CCC=CCCC1)C1CCC1	2045315804	XRHGZZDPVPRTLZ-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CC(C[C@@H]2CCC=CCCC2)=C[C@H](N)C1	2045327769	YDILEKUABWHHQX-ZBFHGGJFSA-N	247.426	4.587	0	10	BJAE	
CC1(C)CC[C@@H](CNC[C@H]2CCC=CCCC2)C1	2045328132	BJUWNMMEFROWQQ-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)[C@@H]2CC23CCCCC3)C1	2045541442	XYDMILBTIUEZAK-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@@H]1CC(C)=C[C@@H](C)C1	2045695379	JRCPDPVYAKYONZ-XOKHGSTOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](NC1CC2(CCCCCC2)C1)C1CC1	2046233145	IVBWMPWNHIJUHV-INIZCTEOSA-N	249.442	4.658	0	10	BJAE	
CC(C)NCC1(C[C@@H]2CC23CCCC3)CCCC1	2047010879	JIYVVCCOOPGWDX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCNC[C@@H]1C[C@H]2CCCCCC[C@H]21	2047449401	YRDZBEGBZCLEHV-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
O[C@H](C[C@H]1CCC12CCC2)C1=CCCCCCC1	2047945380	BOBJPSWOJHGLKG-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC2CC2)(CC2(C)CC2)C1	2048882342	KGCVMTBRAAVQPM-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)[C@H]1[C@H]2CCCCC[C@H]21	2049214516	LHBLAPYBZCOENY-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](C)NCC2=CCCCC2)CC1	2049413842	BPOYBWIIMWECOL-HPUBIQBYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C2=CCCCCCC2)C1	2049530672	YAIGFVFSGCWMOC-PVAVHDDUSA-N	249.442	4.811	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC1[C@H]2CCCC[C@H]12	2049647760	VTEAUSFQMGHTNW-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)[C@@]1(C)C=CCC1	2050006347	MLGHKUJHOURODR-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCC1(C)CCCC1)c1ccccc1C	2050461153	QUCJBNPBGDCQNV-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CC(C)=C(C)CCN(Cc1ccco1)C(C)(C)C	2050705731	QLSBKWCSUGFVMU-UHFFFAOYSA-N	249.398	4.627	0	10	BJAE	
CCCC(CCC)[C@H]1CCN[C@@H]1c1ccccc1	2052166452	BGIIOVREJVZLPF-IAGOWNOFSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1ccncc1N[C@H](C)CC1CCCC1	2053834071	MLBFRSFUEILTKA-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
CCC[C@@H](N[C@@H]1C=C(C)CCC1)c1ccccc1	2055552453	PGQMUTVLQKFPKJ-DLBZAZTESA-N	243.394	4.616	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CCC[C@H]1C(C)C	2056452401	QYVCKJBUYHEOLH-GOEBONIOSA-N	244.378	4.504	0	10	BJAE	
Cc1ccc(C(=O)CC2CC(C(C)C)C2)c(C)c1	2056675034	HRAHQYRAFZDSEZ-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
CN[C@H](CCC1CCCC1)C1(C2CC2)CCCC1	2057604107	NUNLABVEFGELLE-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C2CC(C3CC3)C2)CC1	2057826732	NROYLDGIVBDDQU-MFNRNEDNSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@@H](C)c1ccccc1	2059224409	AGYHMRLQSNIDAU-RDJZCZTQSA-N	245.410	4.515	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)CC[C@]23CCC[C@H]2C3)CC1	2061626085	HXXDTDCSFMPZBM-VIQHNZTISA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@](C)(CC)CC1CC(=C2CCC2)C1	2061738499	COHAVUYZYBKQMG-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCN[C@H](CCC)CCCC1CC(=C2CC2)C1	2061741149	HWASHMNUSOHJFP-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)C[C@@H]3CC3(C)C)C2)C1	2063212611	DKSURBHVGBQWCS-CYBMUJFWSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](Nc1cc(F)ccc1C)c1occc1C	2063672078	PQKSNEBKOFIJOG-CYBMUJFWSA-N	247.313	4.599	0	10	BJAE	
CC1([C@](C)(N)CC2CC(C3CCC3)C2)CCCC1	2067530118	NOEIOLKTDLKBKG-PUJMQQBBSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(N)(C[C@@H]2CC23CCCC3)C1	2067985994	GQUNTKNVGAOLFZ-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)c1ccccc1C(C)(C)C	2068816502	BHILSHHGKDDGKU-CZUORRHYSA-N	248.410	4.700	0	10	BJAE	
CC(C)C1CC(CC(=O)C2(CC3CCC3)CC2)C1	2069564365	QPOAQJAPXOHWBH-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)C23CCC(CC2)CC3)CC1	2072796275	NIBHRQGEGRGFMN-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2CCC3(CC3)C2)CC1	2072876210	XLHUZXZKVFNTNN-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@](N)(CC)CC1CC2(C1)CC21CC1	2073340979	IKVPPMMYNMIHLV-BDVYOWHSSA-N	249.442	4.645	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@@]23CCCC[C@H]2C3)C1	2074100742	LYDWQWUYRCWKAJ-QEWYBTABSA-N	246.394	4.518	0	10	BJAE	
CCCCN(Cc1ccccc1CC)[C@H](C)CC	2075207621	KVSPUOLAIOIXMW-OAHLLOKOSA-N	247.426	4.650	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@H]2C=CCCCC2)CC1	2075371220	VSVKVJYYPDFCMC-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2C[C@@H]2C2CCC2)CC1	2079304238	SVEVLHCRQIEFAA-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H]1C[C@H]1C1CCCCC1	2079434916	KFSZDZKXVQSZSH-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCCC1(NC[C@@H]2C[C@@H]2C2CCCCCC2)CC1	2079648674	BTZFEHJZQDTKHV-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C1CCCC([C@@H]2C[C@@H]2CC[C@@H]2CCCCN2)CC1	2079695938	NYCPNIRKXOVHKX-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C1=C[C@H]2CC[C@H]1C2	2081679551	CPOOAERITQJWRQ-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCC2)CCC[C@H](CC)C1	2081682295	RSPLOLNNIOPDCF-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCCCC12CC2	2081941976	HBQGNFRWUXINKC-OAHLLOKOSA-N	247.357	4.523	0	10	BJAE	
CC(=C[C@@H]1CCCC(C)(C)C1)c1cccc(N)c1	2082977898	BZNMPDRKBXKSPG-AWEZNQCLSA-N	243.394	4.889	0	10	BJAE	
CCCN[C@@H]1CCC(C)(C)C[C@H]1C[C@@H]1C=CCC1	2083034279	ZAVZDUGLSSCESI-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C(=C/c1ccccc1)\CC1[C@@H]2CCCC[C@@H]12	2210662983	VZPLZVCXYDXKBZ-VOTDVEDPSA-N	212.336	4.526	0	10	BJAE	
Cc1cc(C(=O)CCCCC2CC2)sc1C	2211108661	SRSHSQJUQYESCA-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
Cc1cc(Cl)cc(O[C@H]2C=CCCCC2)c1	2212529826	CGBIGZZBRDZGTQ-ZDUSSCGKSA-N	236.742	4.526	0	10	BJAE	
CCCC1([C@H](N)CCCCCCC2CC2)CC1	2213572478	WIKZAZFRGQEECS-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2CCCCC1CC1	2214580753	MAQPCFRULUNKCJ-CQSZACIVSA-N	229.367	4.556	0	10	BJAE	
Cc1ccn([C@@H]2CCCCC23CCCCC3)c1	2214619539	NCRPYNHXMBFWOR-OAHLLOKOSA-N	231.383	4.862	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(O)(CC(C)C)CC(C)C	2215238564	XECAANYSJXWDPX-LSDHHAIUSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CCCC(C)C)CC[C@@H]1C[C@H]1CC	2215245895	IIQFIGHBZWKDBE-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)C)CC[C@@H]1C[C@@H]1CC	2215246017	INYNKNGJYUAQCJ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](CCCCCCCC1CC1)NC	2216878735	FEMVMCMWIUZUCA-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@]1(CCCC(C)(C)C)C[C@@H]1C	2217155097	ZOCKPPGVFWXAPV-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@H]1CC=CCC1)C1C[C@H]2CCC[C@H](C1)C2	2218334342	MVVWORTYYGVKIW-KKUMJFAQSA-N	246.394	4.518	0	10	BJAE	
CC1([C@H](N)CC2C[C@H]3CCC[C@H](C2)C3)CCCC1	2218335933	WFRUAWOEOQDABR-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CC(N[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218340305	PAQMTUUZYPRJDI-QDMKHBRRSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC1(N)CC2(CCC(C)(C)CC2)C1	2220877767	PHQVKMWRMSENFG-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2(CC3CC3)CCC2)C1	2221090173	JQCBJYYQFINVJJ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C)c1ccccc1C1CCCCC1	2221803630	XKOFPMUBHUFQHA-CQSZACIVSA-N	245.410	4.795	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](NCCC2CC=CC2)C1	2222263827	GDTJBBOGNXWYJH-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	2222969140	ZGGOHVPFFGVHLT-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CCCNC12CC2	2223160707	QJFOWOKZBLEGAI-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC[C@H](C)NCC1(CC23CCC(CC2)C3)CCC1	2223596355	PYDZLSSRKGAVPB-FHERZECASA-N	249.442	4.515	0	10	BJAE	
C[C@@]1(C2CCC2)CCCN1CCC1=CCCCC1	2223855405	XVSBMTUMBGGUEL-KRWDZBQOSA-N	247.426	4.532	0	10	BJAE	
C/C=C/CCCC(=O)c1csc(C2CC2)c1	2243500287	HZZRGWMXWPJUJS-NSCUHMNNSA-N	234.364	4.555	0	10	BJAE	
CCCC[C@H](CC)CNC[C@@H](CC)CCC	2244797506	QLSWQLOQXQUOSO-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CCC(=O)c1ccc(-c2csc(C)c2C)cc1	2246405925	HTCPRHOAHGDYFM-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
C=CC=CCC[C@@H](NCCC)[C@H](CC)CCC	2250365863	JOWUCAPHMNHQQR-HZPDHXFCSA-N	237.431	4.703	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCCCC(C)(F)F)NC	2250371709	MPXSYMNVXWGQIG-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CC2(C)CC(C)C2)c1	2253760065	JCMMOCHHFHNNFZ-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)CC2CC3(CCCC3)C2)C1	2254106789	JVRWJDALSYGUTB-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCN[C@@H]1CCC2(CCCC2)C1	2254518184	VEIRISAHWQLWDK-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C(=O)CC[C@H]2CCCC23CC3)c1	2255316586	ABMMYUXHVIPSIY-OAHLLOKOSA-N	242.362	4.538	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@@H]2CC23CCC3)c1	2257907583	QYBKCLCCRDDKKB-AWEZNQCLSA-N	243.394	4.586	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)[C@H]1CCC(C)(C)C1)C2	2259580059	JARDRULHHISLKK-XJIRZWNVSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCCC1CCC1)[C@]12CCCC[C@H]1CC2	2260485315	DMXIRBSJILNKER-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@@]12CCC[C@H]1CC2	2260503331	BQDZVFLJNZFWGY-IVDNXHHHSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@]23CCC[C@@H]2CC3)C1	2260657599	JRHCYZLIXMEJNO-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H](CCC2(C)CCCCC2)N1	2300188001	YMHKMAUTCDHXDB-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CC1(C)C	2300455065	BMGHQQMWRHBXFL-AWEZNQCLSA-N	231.383	4.576	0	10	BJAE	
CCC(CC)CC[C@@H](CC1(C)CCCC1)NC	2300683052	FSJIAMXOVKMZRE-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC1(CNCC=C(C)CCCC(C)C)CC1	2300865346	MHJCCMGBVVDGRH-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H]1[C@H](CC=C(C)CC)CCC[C@H]1C	2300926031	IIJKZJKHANWCGA-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@](O)(CC2CCCCCC2)CC[C@H]1C	2301138791	ZZUSDFGQVZJACM-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(N)CC1CCCCCC1	2301145759	RWMGSACCCOZPBL-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)C[C@H](C)S[C@@H]3C	2301728690	BYLKCLUWTBSIGD-WDEREUQCSA-N	245.391	4.524	0	10	BJAE	
C[C@H](CC(=O)CCC1=CCCCC1)CC(F)F	2301923998	PPJNPIWEBFJDGV-LLVKDONJSA-N	244.325	4.518	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CC[C@H]1C(C)(C)C)C(C)(C)C	2303449591	JXIHXGJSHBIXCR-YNEHKIRRSA-N	238.415	4.700	0	10	BJAE	
CCC[C@](C)(CC[C@H]1CCC(C)(C)C1)CNC	2304428310	LPZPJWAWSZTPHG-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CN)CCCCC1(C)C	2307909477	USBJOBJFTGZESF-GOEBONIOSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1C)[C@@]1(C)CC=C(C)CC1	2312520730	CULQLBDTCVWVMW-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC(=CCN1[C@H]2C=CC[C@H]1CC2)CCCC(C)C	2316512351	CNOGGZBTRURUIV-IRXDYDNUSA-N	247.426	4.552	0	10	BJAE	
O=C(CCCC1=CCCCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1	2318581473	XAXAHTJJGVUHOV-BZUAXINKSA-N	246.394	4.662	0	10	BJAE	
NC1(CCC2C[C@H]3CCC[C@H](C2)C3)CCCCC1	2318862254	CIMMPEKNGRCDNW-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)CCCCC2CC2)CC1	2318874695	FITXHWUIZHJCNY-DOTOQJQBSA-N	249.442	4.667	0	10	BJAE	
N[C@H](CCCCC1CC1)CC1[C@@H]2CCCCC[C@@H]12	2318878871	PJAXDRHDCCUZHT-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](O)CC[C@H]2CCC(C)(C)C2)cc1	2319029885	KWUFHJQWSYSGRQ-HOCLYGCPSA-N	246.394	4.635	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CCCC[C@H]3C[C@@H]32)CCC1	2319453032	CFFOBWVXTILNJL-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
O=C(CC[C@@H]1CC[C@@H]1C1CC1)C1CCCCCC1	2319731949	XNKSCKUVQFUWAR-GOEBONIOSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](N)(CC[C@@H]1CC[C@H]1C1CC1)C1CCC1	2319737699	MRMPXGIKLPNDLQ-XIRDDKMYSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@H]2C[C@@H]3CCCC[C@H]3CN2)CCCCC1	2319820560	RQBZPMYMLNTFBC-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@H](NC[C@H](C)C2CCCCC2)CC1	2320238675	XGCROCKYECNIRU-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(NC[C@H]2CC[C@@H]2C(C)(C)C)cc1F	2320308704	ZPHBNVAGZGLMTQ-OCCSQVGLSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](O)[C@@]2(C)C=CCCC2)CC1	2320406123	KOLBMNGPCNTCBE-ZACQAIPSSA-N	248.410	4.620	0	10	BJAE	
CC[C@H](C(=O)c1cc(C)ccc1C(C)C)C(C)C	2327673905	VMVSMUBNDXUPMT-AWEZNQCLSA-N	246.394	4.983	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cc(C)ccc1C(C)C	2327707743	XIFZIBUCXHEYSX-WMLDXEAASA-N	247.426	4.945	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)CCCC(C)C)cc1	20004022	KORLJVQRWNLNOJ-HZPDHXFCSA-N	247.426	4.860	0	10	BJAE	
C[C@@H](Nc1ccc(Cl)cc1F)c1ccccc1	35019083	YQVWKPJGSJOEFI-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CCCCC[C@H](NC)c1ccc(CCCC)cc1	35492954	YFIJZCQOYUKMJW-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H](C)c2ccco2)cc1	36953615	YFBNQWKASRGODT-STQMWFEESA-N	243.350	4.966	0	10	BJAE	
CCC[C@H](C)CN[C@@H](C)c1ccc(C(C)C)cc1	37044252	LOEHINVYXXEGDX-GJZGRUSLSA-N	247.426	4.897	0	10	BJAE	
CC(=O)c1ccccc1-c1ccc(C(C)C)cc1	38071989	DKWCSGFWPOIWPG-UHFFFAOYSA-N	238.330	4.680	0	10	BJAE	
CC[C@H](Nc1cccc(F)c1C)c1cccs1	43319837	QECZZHVTWTZDNL-LBPRGKRZSA-N	249.354	4.759	0	10	BJAE	
CCCN[C@@H](CCC)CCC[C@H](C)CCC	70745733	CSQVGBHAWFSNRJ-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CCSc1ccccc1N[C@@H](C)[C@H](C)CC	71104756	IWWDYMLFHTZSCG-NEPJUHHUSA-N	237.412	4.645	0	10	BJAE	
CSc1ccc(NC2C[C@H](C)C[C@@H](C)C2)cc1	84461948	RBNUQUWBUXXAGP-VXGBXAGGSA-N	249.423	4.645	0	10	BJAE	
CSc1ccc(N[C@H]2CC[C@@H](C)[C@@H](C)C2)cc1	84981450	ZMVULWVHKZLZIA-DYEKYZERSA-N	249.423	4.645	0	10	BJAE	
CCCCCCC(=O)C1CCCCCCC1	87689968	SKWXEMVBFLKLDT-UHFFFAOYSA-N	224.388	4.886	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)c2cc(C)cc(C)c2)C1	87988304	WKODMODCFVGYHY-UXLLHSPISA-N	245.410	4.520	0	10	BJAE	
Cc1cccc([C@H](C)N[C@@H]2CCCCC2(C)C)c1	94323003	LBTQSNRVNXDIJU-GOEBONIOSA-N	245.410	4.614	0	10	BJAE	
CCCC[C@H](NC(C)C)c1cc2ccccc2o1	127316431	MXONMXIXBMYYQR-AWEZNQCLSA-N	245.366	4.662	0	10	BJAE	
CCCC[C@@H](CC)Nc1c(C)cccc1F	135236353	DSLMSNJLIKUJQJ-GFCCVEGCSA-N	223.335	4.515	0	10	BJAE	
Cc1ccc2ccccc2c1C(=O)CCC(C)C	143432880	VBRWJAXMSCASDB-UHFFFAOYSA-N	240.346	4.767	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCCCCC(C)C	147388312	PAJUCWMLWCJSRG-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@H]1CCCC[C@H]1CCC(C)(C)C	155594129	JYJWKIPPZWOSKK-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCc1cccc(N[C@@H]2CCC(C)(C)C[C@H]2C)c1	155830143	OQBVOIXZQFPUFQ-CZUORRHYSA-N	245.410	4.876	0	10	BJAE	
CCN[C@@H](C1CCCCCCC1)C1CCCC1	159095633	OXQRPNAJOOVWBG-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(CNCC(C)C)C(C)C	164432279	YEYQPJMQHSOPFA-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H](C)CC(=O)c1cccc(Cl)c1Cl	168048320	NXIWMJGNOFDORW-MRVPVSSYSA-N	245.149	4.612	0	10	BJAE	
Cc1ccc(F)c(N[C@H](C)CCC(C)C)c1F	214817470	RVJLCVIXGCNVPR-LLVKDONJSA-N	241.325	4.510	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CC[C@@H](C)C[C@@H]1C	226162994	OWHGOQLAMBCCCD-QKPAOTATSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc(C)cc1Cl	232939526	AUUVCBWOHNBGKN-CQSZACIVSA-N	240.774	4.652	0	10	BJAE	
CCCCCC[C@@H](C)NCCCC(C)(C)C	300788617	CAUSWJSQNRNMRG-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CC(C)(C)CCC[C@H](O)CC1CCCCC1	300846391	KLCDJPKURVGTKC-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](N[C@H]1/C=C/CCCCC1)c1ccccc1	302332926	DGNLHSHUZZUFEA-MQZKNQHPSA-N	243.394	4.616	0	10	BJAE	
Cc1cccc(C)c1C(=O)CCCC(C)(C)C	304165339	ZUXWJKZVSGVWKZ-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CC(C)NC[C@H](CCC1CCCC1)C(C)(C)C	305997745	UPMKNGFVKIPJKC-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc2cc(Cl)sc2c1Cl	306535808	GPYXLLZVJYFNTJ-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCc1c(Cl)cc2sccc2c1CC	306789959	UNNBNIKEHSLOSG-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	308053160	IAOGWTAOELAJAH-KBUPBQIOSA-N	238.415	4.700	0	10	BJAE	
Cc1ccc(OC[C@H]2CCC[C@@H](C)C2)c(C)c1	310175895	VCQXUBGBWVHHOL-DOMZBBRYSA-N	232.367	4.509	0	10	BJAE	
Cc1ccc(C=O)c(-c2ccccc2C(C)C)c1	311016559	BHVZFKCYNINVRN-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
CC(C)c1ccc([C@H](N)C(C)(C)C(C)(C)C)cc1	311179622	WUKSLMJONUDFCV-HNNXBMFYSA-N	247.426	4.882	0	10	BJAE	
CCC(CC)[C@]1(CNC(C)C)CCC[C@@H](C)C1	317837459	KHACLIGWAXQUIW-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC(C)C)CCCC[C@@H]1C	317900508	JGDVJNDTQCRIQY-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@H](O)CC2(CC)CCC2)CC1	380104839	YGOMNGDOORWJAW-YMAMQOFZSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@@H]1CCCC[C@@H]1C	384561734	SFZRDTTVTKOQSE-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1ccc2sccc2c1	386610362	HWSKYMGONASUIW-BXUZGUMPSA-N	248.391	4.761	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)CCC1CC1	395562322	MMCVCLOFOLKHQE-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCc1cc2c(C(F)F)c(CC)ccc2s1	396165314	DXIGUTGORIOWDK-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCc1c(C(F)F)cc(F)c2sccc12	396198055	MUDOVAPBFQMSPB-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC(C)(C)c1ccccc1C(=O)CCC1CCC1	398777841	NYQUNDHYYREHDM-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCCN[C@@H]([C@@H](C)C(C)(C)C)[C@H](C)CC(C)C	399304056	KAKMHCDCLFPJMO-RBSFLKMASA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1cccc(F)c1C	401796787	ITYJKEPZXKEOOD-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NC)c1coc2ccccc12	404289959	KGUCTARVWGODNS-MLGOLLRUSA-N	245.366	4.520	0	10	BJAE	
CCCC1(CN[C@@H](C)C2CCCCCC2)CC1	687542579	MOAXXIUYGFYAAQ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
Cc1cc([C@@H](C)N[C@H](C)CC2CCCC2)c(C)o1	689757919	GNLASEJSDZBJRL-DGCLKSJQSA-N	249.398	4.516	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H](C)CC1CCCC1	689827651	AGJDBOBSCXRWFQ-LSDHHAIUSA-N	239.447	4.760	0	10	BJAE	
CC(C)=CCCN[C@H]1CCCCC[C@H]1C(C)C	691149664	LXGJYZCRTQHVFI-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCC1(C2CC2)CCC1	691187940	QTJZMJFZZKYYAQ-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(NC[C@H](C)C(C)C)cc1Cl	691250994	KOEKAFBMBJGHFD-NSHDSACASA-N	239.790	4.606	0	10	BJAE	
C[C@H](CCC1CC=CC1)c1ccccc1	692123312	LXTXALNEHXXFGJ-CYBMUJFWSA-N	200.325	4.537	0	10	BJAE	
Fc1c(Cl)cccc1CC1CCCCC1	694974527	SGEHCRZPKYQMQP-UHFFFAOYSA-N	226.722	4.602	0	10	BJAE	
CC1(CN[C@@H]2CCCC3(CC3)C2)CCCCCC1	695716671	MVDKIPMRNVVMFN-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCc1ccc(CC)c([C@H](N)CC(C)(C)CC)c1	696559626	BCSSZDMIDANJQT-MRXNPFEDSA-N	247.426	4.638	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@@H](CCC(C)(C)CC)C1	696800175	SXZBBOFTYCMWND-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCC[C@@H](O)c1ccc2ccccc2c1	697604022	HKOXNXLXNTVJTL-QGZVFWFLSA-N	240.346	4.620	0	10	BJAE	
CCCC[C@H](CCC)NC1C[C@H]2CC[C@H](C1)C2	697692064	GZNIUECURIBNJY-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCc1ccccc1O[C@@H]1CC[C@H](C)[C@H](C)C1	699509064	ZUKIRFUGIHBQRH-SQWLQELKSA-N	246.394	4.843	0	10	BJAE	
CCC(C)(CC)CC[C@H](NC)c1ccccc1	701153993	SUWPMLYECCAFRO-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@@H]1CCCC[C@H]1C	704795561	BREVXQCSHRPNJB-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C(C)C)[C@H](O)C[C@@H](C)CC(C)(C)C	709070457	DFKVPQFVNUKKBB-ZIAGYGMSSA-N	242.447	4.738	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@]1(N)C[C@H](C)CC(C)(C)C	709165706	MUCLZAWSEARJAP-DVOMOZLQSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@@H]2CC3CCC2CC3)C1	709451671	ZLIGFAUBBIQVJN-WNZFAQLISA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)C[C@@H]1C[C@@H](C)Nc2ccccc21	713131110	FMHNCIPPDQPZON-OLZOCXBDSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@H](CC(C)(C)C(C)C)[C@@H](C)C(C)C	713210382	DFIUVABCWVJWGL-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
C/C=C/[C@H](C)Cc1c(Cl)cccc1Cl	714546096	GYMBOOPGKNDLBB-SGRBOOSSSA-N	229.150	4.748	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)CCC(C)(C)C	718498745	YMNVVMQKHJTQDP-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H]1CCCC12CC2	718612802	MUCDXOOWVRXAQE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CCc1ccc2ncccc2c1	718646752	IEFADQGRSMKLCO-UHFFFAOYSA-N	225.335	4.524	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@@H]1C[C@H]1CC	718647114	RLYYVQCGXBFNAO-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	719123675	IOQPGCWLOLDAIY-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1cc2cccc(C)c2o1	721702471	RCMHEMRKNJWZSN-HNNXBMFYSA-N	245.366	4.567	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2CC2(C)C)CCCC1	722856749	FBUFHAOBIFTDAR-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
C1CCCC(CN[C@H](C2CCCC2)C2CC2)CC1	723959073	FUQQCOSCPCOIQI-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCCSC[C@H]2C[C@@H]3C[C@@H]3C2)C1	1459207463	XOPSYNHVSXLCML-QDMKHBRRSA-N	238.440	4.736	0	10	BJAE	
C1CCC(CSCC2CC3(CCC3)C2)CC1	1651780660	NSXLBJQZMPSWIU-UHFFFAOYSA-N	238.440	4.880	0	10	BJAE	
C1=C[C@@H](SCc2ccccc2)CCCCC1	1656186779	HOLGWHWWWNDZPJ-OAHLLOKOSA-N	232.392	4.809	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@H](C)CC1CCC1	1899390272	SXNKPZFDNWHJJY-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCC(CC)CC	1900693463	NYSFKINTODSDPN-HUUCEWRRSA-N	227.436	4.602	0	10	BJAE	
CCC(C)(C)C(=O)CC[C@@H]1CCC(C)(C)C1	1903409994	UZPZKKOVKMOHAZ-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CN(C)CCC(CC)CC	1905306500	PCKLJKLVBYQQDV-OAHLLOKOSA-N	227.436	4.571	0	10	BJAE	
CCC[C@@H](CC)CC(=O)CCCCC1CC1	1905393248	UZNMANMLTHDIMG-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CC=C[C@H](C)Cc1ccc(SCCC)cc1	1911918154	CJOWKMRZWCKHNU-ZDUSSCGKSA-N	234.408	4.943	0	10	BJAE	
CC(C)CNC[C@@]1(CC2CCCCC2)C=CCC1	1916381287	XIMCGOWSSZJBJJ-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@@H]3C[C@H]3C2)cc(C)c1Cl	1917353560	DKDVIETWVZIYPB-FRRDWIJNSA-N	249.785	4.557	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CCCCCC1CC1	1920200200	CGGQZOJMHBOYAG-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
C[C@H](C1CCCC1)[C@H](N)CC1(C)CCCCC1	1924089613	QGADWKYQGCQDNH-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(F)c(C(=O)[C@@H](C)C2CCCCC2)c1	1924096464	DDWPTZRFBXWTGR-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
Cc1cccc(C)c1CC[C@@H]1C=CCCCC1	1925838869	WYGQZXFJSHUTIA-MRXNPFEDSA-N	228.379	4.982	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cccc(C2(C)CC2)c1	1926385883	YLSVHAONWREBCW-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
C1=C[C@H](C[C@H]2CCC3(CCCC3)C2)CC1	1934208565	DIPCBIJRXLAAIS-UONOGXRCSA-N	204.357	4.703	0	10	BJAE	
CC1(CCC[C@H](O)C(C)(C)C)CCCCC1	1935620298	KJZRHUPEKNYFRZ-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CCCCCCC(C)C)NC	1939111379	LPSFWYRFOSLTAB-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)C1CCCCCC1	1940245359	XFHGSECTTHXKIP-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)CCC1CCCC1	1940245554	XWJPOFRRIBJHFW-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(N)(CC2(C)CCCCC2)CC1	1940404809	BWWFARYZYOCWQX-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)CC1(C)CCCCC1	1940407062	HYEZMXOOXXUVNI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1(C[C@@H](N)CCC2CCCC2)CCCCC1	1940408904	NMMWEPIRLHVBIC-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)CCC(C)(C)C	1940857428	XDOXJKDMXXYTTO-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)CC1CCC(C)(C)CC1	1941252739	QVNGLCXVRZKRKC-CABCVRRESA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)[C@H](CC(C)C)C(C)C	1941267375	QZMWVTBRJPSJFF-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](CCC1CCCCC1)NC	1941269568	SCCBRPQJTXDGBO-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)C1(C)CC(C)C1	1941979898	KEONDSXICYODQD-FYRZTWFESA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](C)[C@H](C)CNCC(C)C	1942665386	XWFOSMWSIGHLDK-ARFHVFGLSA-N	241.463	4.577	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)C2(C)CCCC2)C1	1944197543	BJBAUAQZGJIXSV-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
C[C@H]([C@H](N)c1cccc2sccc12)C(C)(C)C	1945970090	KREFOGOWKDDSOQ-YGRLFVJLSA-N	247.407	4.583	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@H](C)CC(C)(C)C	1947465442	VHMBEJSPDMBAHV-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCC(F)(F)CC1	1948123322	YHYOIRQVKIKLFF-STQMWFEESA-N	247.373	4.513	0	10	BJAE	
CCC1(C)CC(c2nc3cccc(Cl)c3[nH]2)C1	1948409377	PIGYVUFKODAEPA-UHFFFAOYSA-N	248.757	4.510	0	10	BJAE	
CCCCCC[C@H]1CCC(C)(C)[C@@H](NCC)C1	1949660243	HPNRRQRGJPEDNN-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)C[C@@H]2CCC[C@@H]2C1	1950305127	SYMBZHCVKYWNMM-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C2CCCCCC2)CC1	1950931472	XCMSHRCNTGKTAF-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cc(Cl)sc1C	1959934771	PQFRQVHJDRJBTN-HTQZYQBOSA-N	244.787	4.575	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1NC1CCC2(CCC2)CC1	1965942461	YGTCLMTTZINWHY-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CCC1CCC1	1976922785	WEHISTPFTKNWGO-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCCCCCC[C@H]1N	1980341566	JKBAPIJMVDDNKY-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCCC1CC1	1995264284	UZRUYSUORBXMGO-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CCC[C@@H](C)C(F)F)NCCC	1996095633	WHLBJDHYVVZHAE-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1CC[C@H](Cn2ccc3cccc(Cl)c32)C1	1996232293	ODWCHQIVFCQLLL-NEPJUHHUSA-N	247.769	4.731	0	10	BJAE	
CCC(C)(C)CCC1(O)CC(C)(C)C(C)(C)C1	1997806665	HVOPYIWYWBLUET-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1NC1CCCCCCC1	1998747487	BQLOAMLVKODHKW-HOCLYGCPSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CCCC(C)(C)C1	2000096434	IUUFJJRYBDHHEZ-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC2=CCCCC2)C1	2000099546	MYWHIVXTICBJIP-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CCC(F)(F)CC	2000196211	FKNNOHIHKAGIOA-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CCC2(CC2)C1)NC	2003221023	MEGBPRQXRORFMR-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1CC(C2CCC2)C1	2007767830	QLKHNRCGNAKUEJ-OPFPJEHXSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H](CCC)C(C)C	2009615774	BSVIJRXWJRYXDS-VKFONMJVSA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H]1CCCCC1(C)C	2009636661	YRBWZJIKRLXGNG-MUHKLVGJSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](N)c1csc2ccccc12	2015277301	GFJOYMNOYWHUSP-BXUZGUMPSA-N	247.407	4.583	0	10	BJAE	
CNCC1(C[C@H](C)C(C)C)CCCCCCC1	2015411087	FFBZASIUNAHXAQ-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CCC(C)C)CC1(C(C)C)CCC1	2017140261	FIXAJKZBWPWHCS-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CC1(C(C)C)CCC1	2017147144	ZQVWJPUTTIVGLT-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CCC1(C[C@H](O)C2(C(C)(C)C)CCC2)CCC1	2017159625	ZBAPNFMQNTXAOY-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](NCC)C(C)=C(C)C	2017479119	YMRBYWBQWYGXMG-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CC(C)=C(C)[C@](C)(N)C1CCC(C(C)C)CC1	2017488342	CMFMLRCGADCLRW-GPANFISMSA-N	237.431	4.523	0	10	BJAE	
CCC1CCC(C[C@@](C)(N)CCC2CC2)CC1	2017731335	QHHBINWMIQATMJ-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@H]1CCCC2(CC2)C1	2017795235	ZINDOLITZUIOHK-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCC(C)(C)[C@H]1N	2020358787	LOXOCWXFTJKHOE-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CCCCN(CCC1CCCC1)C1CCCC1	2020538198	YPQDGKYKEVHVKN-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C(CC)(CC)CC	2020974246	OFIFMYWBMDZLSV-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1C[C@@H]1C(C)(C)C	2022559755	ITTCFPAVFOBXTQ-IJEWVQPXSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)[C@]1(O)CCC[C@@H]2CCCC[C@H]21	2022991374	JHGAASYPDTXTDQ-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CC(F)(F)CCCCC1(O)CCCCCCC1	2023302673	VGESGDWWIPGEJR-UHFFFAOYSA-N	248.357	4.677	0	10	BJAE	
Cc1cc(C)c(C)c(CNc2cscc2C)c1	2024047704	XNDOVIIZQQUSGQ-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C2CCCCC2)C1	2024100860	GHRXWXSQLNYURM-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
Fc1ccc(Cl)c2[nH]c(C3CC4(CC4)C3)cc12	2024286796	NLWCERDLUKILLK-UHFFFAOYSA-N	249.716	4.618	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC(C)(C)C1(C)C	2025012179	VJMQFJAPGIWAPF-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H]1CC=CCC1	2026075014	RBQHLBQCKGROPB-HUUCEWRRSA-N	236.399	4.908	0	10	BJAE	
c1coc([C@@H]2CCCCN2C2CCCCCC2)c1	2026874376	RULNRMGFYYZDBS-HNNXBMFYSA-N	247.382	4.529	0	10	BJAE	
CCc1ccc(CC)c([C@H](O)[C@H](CC)C(C)C)c1	2028229077	FQTCGLQTTFKHLG-NVXWUHKLSA-N	248.410	4.527	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1ccccc1C1(C)CC1	2028563371	UFBRYQUIMAVRJT-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
C[C@@H](CC1CCC1)NCC1(C2CCCCC2)CC1	2029739634	BMYBPLKELYXESI-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)Cc1cccc2c1NCCC2	2029821024	PLJBBNNQWGGKTL-CQSZACIVSA-N	245.410	4.660	0	10	BJAE	
CCC[C@H](C)CCN[C@H](c1ccccc1)C1CC1	2029967507	SMEIVRNMMPNNHR-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
CC1(C)C[C@H](NCCCC2CCC2)CC2(CC2)C1	2030282293	VJUJMSXALQPJES-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CC=CCC2)CCCC1(C)C	2032107296	WDVYIWSMHFKLFN-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
C=CC=CCC[C@H](NC)C(C)(C)C1CCCCC1	2032345178	AKZGQCQRXANDBZ-INIZCTEOSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CCCC2(CCCCC2)C1	2033450816	MTTASUCNRSFIHZ-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CCC1(C)CC(CN[C@@H]2CCC23CCCCC3)C1	2036472728	BVOIMOZMKLKIEV-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1([C@@H](N)[C@@H]2CCC3(CCCC3)C2)CCC1	2037699657	CQEJBJGQNHMABR-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C=C1CCC2(CCNCC2)C1)CC(C)(C)C	2037738418	FCZYWXVXODYJFM-AWEZNQCLSA-N	249.442	4.539	0	10	BJAE	
Cc1cc2ccccc2n1CC1CC2(CCC2)C1	2038079583	XHPYDWWOLHRVLH-UHFFFAOYSA-N	239.362	4.530	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](N)C1=CCCCCCC1	2039433163	AEMNEZJVIQWIJZ-XIRDDKMYSA-N	247.426	4.587	0	10	BJAE	
CCC1(C(=O)C[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)CCC1	2039725052	SLJYEJCXYXZEOS-MELADBBJSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@](C)(N)CC(C2CC2)C2CC2)CCCCC1	2039848081	FNKGESMXZAUTKL-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
N[C@@]1(C[C@@H]2C=CCCCC2)CCCC2(CCC2)C1	2041293032	LYEBTCPPACKXND-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNC1(C2CC2)CCCC1	2042946269	CLPYNCZUNAAMKT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](NC2(C3CC3)CCCCC2)C1	2042949440	VRNWORQCNCNGAR-FOLVSLTJSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)C[C@@H]1CCC=CCCC1	2045316085	AMZYFZXUVQIDKX-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]([C@H](O)c1ccccc1)[C@@H]1CCCC(C)(C)C1	2045370744	KWAUQLBTTYWNNR-BMFZPTHFSA-N	246.394	4.573	0	10	BJAE	
CN([C@H]1CCC2(CCC2)C1)[C@@H]1CCCC(C)(C)C1	2045521082	SKXPNNYJTXTEDH-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@H](c1ccccc1)C(C)C	2045673205	DJUQBGLKVCKBAC-PBHICJAKSA-N	246.394	4.822	0	10	BJAE	
CCNCC1(C[C@@H]2CC23CCCC3)CCCCC1	2047010047	GMSKLOBCDDADON-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CCC1CC1)C[C@H]1CCC12CCC2	2047941540	CZZJJDKTYCTCHM-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C[C@H]1CCCC2(CC2)C1	2049851823	CKDKIRMLOYGENA-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H]2CCCC3(CC3)C2)C1	2049939251	ZIBFRBRCGMZBBF-VQCLRJIVSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C1CC(C)(C)C1)[C@]1(C)C=CCCC1	2050002642	JMOUBHDWTQNKHY-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC(=O)c2ccccc2C)C1	2050451132	SMZORDGQAIFNGU-CABCVRRESA-N	244.378	4.784	0	10	BJAE	
CCN[C@H](CCC1=CCCC1)c1ccccc1C	2050461205	RNYWIIIDCQJVPD-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CCC[C@@H]3CC[C@@H]32)c(C)c1	2052286553	LYUSYZYNFAPDCU-OWCLPIDISA-N	243.394	4.602	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@]2(CN)CCCCC23CCC3)C1	2053412425	SKPXCXFIOIHCGN-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@H]1CCCCC12CC2	2053413367	TYGAFWHSYVBAPK-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@]1(CN)CCCCC12CCC2)C1CCC1	2053417828	GSXRPIQYOKGVMN-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](C)CC1(CNC2CC2)CCC2(CC2)CC1	2056524313	UGLISSWJCDIXQE-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](c1ccccc1)C1(C)CCC(C)(C)CC1	2056556964	OLBWNZCDGUOEGM-OAHLLOKOSA-N	245.410	4.554	0	10	BJAE	
CC(C)C1CC(C[C@]2(N)CCC3(CCCC3)C2)C1	2056634393	BECKSDOKTDSUPL-VMBOVVBDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2CC(C3CC3)C2)CC1	2056646119	RQVADARGSBIONS-RKHAHWSXSA-N	249.442	4.501	0	10	BJAE	
CC=C(C)[C@H](NCCC)c1ccccc1C(C)C	2056783273	UGJJPZVVQQABEJ-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@H]1CC[C@H](C)CC1	2056875328	FVBLDCRMWBIMOZ-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2CC23CCCCC3)CC1	2059004752	ZKCPFIRHUUZFFO-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)CC1=CCCCC1	2059177661	LJSUSHXGEZTOOJ-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](CC1CC(=C2CCC2)C1)NC	2061737795	VGAHHWMAMFFESV-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1CCCCC1)NC1CC2(C1)CC2(C)C	2064117950	LTOMBVGJPAHYET-BZOOQXSSSA-N	249.442	4.514	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CCC2)C1(C)CCCC1	2067518106	ULLIDJKRKBHKEB-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CN[C@H](C[C@@H]1CC12CCC2)C1CCCCCCC1	2069200516	IQAHNFOYLONRQG-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@H]1CC)C1=CCCCCCC1	2071503145	FNNGEMSKFUPMTL-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(CC(=O)[C@H]2CC23CCCCC3)CCC1	2071917780	NPZMJYMXUAQUFH-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@H]2CCCCC23CC3)CC1	2072695122	FBEHVBAOJJVFKJ-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(CC2=C[C@@H](N)C[C@@H](C)C2)CC1	2072813670	VSTYBQDAJXSUQU-GIOUXUJVSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)Cc1ccccc1	2073340887	OGWNPHWWHSHWFV-WBVHZDCISA-N	247.426	4.566	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](N)[C@@H]2CCCC3(CC3)C2)C1	2073787689	RNJGBDFWHIXRAV-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@]12CCCC[C@@H]1C2)C1CCCCC1	2074028025	FAWVTAWHTSLFHC-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H](CC2(CCF)CC2)c2ccccc2N1	2074623629	JLNRKOZWWKTOIQ-OLZOCXBDSA-N	247.357	4.504	0	10	BJAE	
Cc1ccc([C@@H]2CCCCN2[C@@H](C)CC(C)C)o1	2075098207	NITVXDWFYNXKDA-ZFWWWQNUSA-N	249.398	4.550	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H]2C=CCCCC2)CC1	2075370068	KLOPRYZXOZZHJG-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC(C)CN(C[C@H]1CC=CCC1)C1CCCCC1	2076585040	HNXSAIQUMANMLU-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](O)c1ccc([C@H](C)CC)cc1	2079393922	UFFYHQATUIKBIH-VDNDLQMASA-N	246.394	4.670	0	10	BJAE	
CC1(CCC[C@H](N)[C@H]2C[C@@H]2C2CCCCC2)CC1	2079433888	CKINMTZAITWVAL-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1Nc1ccc2ccccc2c1	2079521325	BTIWCNPUWJABEE-JKSUJKDBSA-N	239.362	4.686	0	10	BJAE	
NCC1(C[C@@H]2C[C@@H]2C2CCCCCC2)CCCC1	2079662999	YPOVDFZMQGLGSO-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@H]2C2CCCCC2)CCCC1	2079837872	CVVJFVNUHVQSDY-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
FC(F)c1sc(Cl)c(Cl)c1Cl	2080448949	YDJRAOVXSLIEJE-UHFFFAOYSA-N	237.485	4.646	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H]1CC12CCCCC2	2081781736	VCROTXKBFFVGAA-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)ccc1NC[C@H]1CC[C@H](C)CC1	2081951223	KQXOYLCDPBCRLC-JOCQHMNTSA-N	249.373	4.626	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1sc(C)c(C)c1C	2211702163	RFDBAJCRDCESOA-RNCFNFMXSA-N	240.412	4.533	0	10	BJAE	
CC(C)C[C@@H](C)CNCCCCCCC1CC1	2213601780	YWHFVOOZXNJWSO-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1C[C@@H]1CCOc1ccccc1C(C)C	2215346111	ODYUOELPHPCMCN-KBPBESRZSA-N	232.367	4.625	0	10	BJAE	
CC[C@H]1C[C@@H]1CCCC(=O)CC1CCCCC1	2215361282	DJGTVIUBJZVYFH-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@@](O)(CC)CC1(C)CC(C)(C)C1	2215461863	UUDJOSILHZQXGI-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCNC[C@@]1(CCCC(C)C)CC=C(C)CC1	2215835435	MDJRJJDCXLBNIP-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CC[C@H](C)N1CCCCCCCC1CC1	2216877111	IHLGMFFYGBIPFM-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@H]1CCCC[C@@H]1C	2217150549	ZCCNZIYZFWOISR-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1CCC2(CC2)C1	2218730879	KRRPTUYZPKUIOQ-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCC/C=C/c1ccccc1)C(C)(C)C	2219096157	SOMIPQMXALDJIM-WQMJKPAKSA-N	245.410	4.504	0	10	BJAE	
O=C(CCCCC1CC1)c1ccccc1C1CC1	2220016405	BEWKIGSMUWXTMF-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)[C@H]1CC12CCC2	2220044656	GQKXXISYEYAODG-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C2CCC1([C@H](N)CCCCC1CC1)CC2	2220047601	XHDLOTFXELCTSG-ISXOHVOVSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1(C)CC(C)(C)C1)[C@]1(C)C=CCCC1	2221028670	RTRYYXBGYJOOOG-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@]1(C)CC=C(C)CC1	2221613961	SXEZTCDSRYOTHR-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CNC[C@@]1(CC2CCC(C)CC2)CC=C(C)CC1	2221666087	PMMMKQMZVJBWIV-PREGVCBESA-N	249.442	4.539	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CNC2(CCC2)C1	2223131532	ZNWHPYGQGIUEDW-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCCC[C@](N)(CC)c1cccc2ccoc12	2224157158	MQQWAQPYAUMWCM-MRXNPFEDSA-N	245.366	4.577	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)[C@H](C)c1ccccc1	2224163866	ILUAMCVWURNBTM-INMHGKMJSA-N	248.410	4.758	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)c1cccc2ccoc12	2224196026	LIRKYELRKCENHS-AWEZNQCLSA-N	246.350	4.539	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1CCC1(C)C	2243144751	TUMDSEDZHVAYCA-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)[C@H]1CCC[C@@H](C)C1	2247159783	PKGSPXUNXXXALF-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H]1C[C@@H](N)C1(C)CCCCCC1	2247308695	GXDQKAMMEGSHNH-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](CC2=CCCCC2)C1	2247498164	KSVZJRBRROMADO-LSDHHAIUSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(O)CCCC[C@H]1C	2248870395	MBDHJRMDHZVUHY-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@H]1CC[C@H](C)C1	2250488236	KPRVDWIBWDPKIK-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)C1CCCC1	2250517897	GAHLXYUORYFLAW-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C)CNc1cccc(C2CCCC2)c1	2251242239	FIOIYLHLEJRXDQ-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](O)(CC2CCCC2)C1	2251678490	MJOJLGPMCGLHGL-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CC(C)(C)CCC1(C)C	2251680446	CICQXTVCDIZCGO-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CC1CC(C[C@H](N)CC[C@@H]2CCCCC23CC3)C1	2253782135	HVHBWMQXONFMNQ-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCC1CCC1)C[C@@H]1CCCCC12CC2	2253818567	SEXQZVWCMKCQHI-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc2c1N[C@H](CCC[C@H]1C[C@@H]1C)CC2	2253873855	LUHRJSQXUHRQCW-CWRNSKLLSA-N	243.394	4.548	0	10	BJAE	
CCc1ccc(N(C)CCCC[C@H]2C[C@H]2C)cc1	2254580654	FEUSWAUKKCZANJ-ZBFHGGJFSA-N	245.410	4.512	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1	2254587548	QUNNBJOERVMRGM-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
CN(C[C@H]1CCC12CCC2)C1CCCCCCC1	2254919331	STKAQVHLDORRJQ-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)NC[C@]1(CC2=CCCCC2)CC1(C)C	2255102524	SKPPPHSKGWMGTP-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CN(C)CC1=CCCCC1)C1CCCCC1	2255145697	JAWOLEMAXBLZIB-HNNXBMFYSA-N	249.442	4.635	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC[C@H]1CCCC12CC2	2255256232	NLYNHMZTBNBJCT-HUUCEWRRSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN1C2CCCC1CCC2	2257292010	MTTQRNDTPMGRLG-NUWOQIAWSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc(NCCCCC[C@H]2C[C@@H]2C)c(F)c1	2257330000	UAHHJOPYLCTYMR-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
CC(C)(C)c1cccc(NC[C@@H]2CCC2(C)C)c1	2257905632	BLLFPNCAJFRNNG-AWEZNQCLSA-N	245.410	4.832	0	10	BJAE	
Cc1cc(C)cc(NCC2CC3(CC(C)C3)C2)c1	2259574823	YDSPZEBRNATPRW-UHFFFAOYSA-N	243.394	4.542	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@]12CCC[C@@H]1CC2	2260508925	SFGYPMCSZAUUJR-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@@]12CCCC[C@@H]1CC2	2260591190	JVBROVSRWFFSJK-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](N)C[C@]23CCCC[C@@H]2CC3)C1	2260679738	SUIAPRHNISGINZ-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](CC2=CCCCC2)C1=O	2261435757	NSZHUDDIOKBUFT-CQSZACIVSA-N	248.410	4.908	0	10	BJAE	
CCCCC=CCCCCCCCCC(=O)O	2297732001	APXSAEQXOXTDAM-UHFFFAOYSA-N	240.387	4.938	0	10	BJAE	
C[C@H]1CC[C@H]1CNc1cc(C2CC2)ccc1Cl	2300673356	GWSCENFPPPVJAQ-GWCFXTLKSA-N	249.785	4.675	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CC(C)=C[C@@H](C)C1	2300702772	YOQSJNSWIZALDP-IUODEOHRSA-N	236.399	4.764	0	10	BJAE	
CN(CC1CCCCCC1)C1(C)CCCCC1	2301147024	FTOJQBQZUDCPQM-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC1(C)CC(=O)C[C@H](CC2CCCCCC2)C1	2301242361	ROSWHAHDQPPRIE-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(O)CC1CCC(C)(C)CC1	2301902962	PVCXOXBPKQZNSW-BBRMVZONSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CCCC1=CCCCC1	2302357381	XYTVAHJSEFXMGX-GOEBONIOSA-N	237.431	4.811	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@H](O)CCCCC2CC2)C1	2302580650	UJYMTXIJJMCCED-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2CCC(C)(C)C2)C1	2302900143	BXXKUBQXARZEJH-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303486813	HPHGTBSCBPTOKO-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CCc1nc([C@@H]2CC23CCC3)cs1	2304493205	WDECNYDSOCOLRX-NSHDSACASA-N	249.423	4.779	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)CC12CCC(CC1)C2	2307816803	ITIQHPLEYIKNDY-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC[C@H](NCC)[C@H]1C	2307906271	CYWWEOSBZMUSTM-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(CNC(C)C)C1CC1	2307925963	KTBQAGXKBRALBO-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)[C@@]12CCC[C@@H]1C2	2308101505	AOFOFARVHQJUIS-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(C[C@@]12CCCC[C@@H]1CC2)[C@H]1CC1(C)C	2313347618	ZALHDUHSEQHZMG-OHFALNGGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]([C@@H](C)CC1CCC1)[C@]1(C)CC=CCC1	2313659982	HWQSPSFSUSSCGU-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C(CC1CC1)CC1CC1	2313660975	UASLAQMGXVTFLC-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H](C)CC2CCC2)c(C)c1	2313692677	QHQSXQBACWJNSH-CQSZACIVSA-N	244.378	4.621	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)C(CC1CC1)CC1CC1	2313692880	RWBMJWMYPCBXES-LRDDRELGSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CNCC=C(C)C2CC2)CC1	2315248192	SCJBYOLJBNPWDX-WKILWMFISA-N	249.442	4.539	0	10	BJAE	
CC(=CCC(=O)[C@@]12C[C@H](C)[C@@H]1C2)CCCC(C)C	2316510472	VISCBPHEIQQNSL-YQQAZPJKSA-N	248.410	4.764	0	10	BJAE	
CC(=CC[C@@]1(N)CC[C@H]2C[C@@H]1C2)CCCC(C)C	2316531131	BIIVNECUXLPHHD-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
O=C(CCC1CCC1)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317144100	VDPMDIGTIFFZQC-OAGGEKHMSA-N	246.394	4.518	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@@]1(C)C[C@@H]1C	2317904793	RPORXDMRXSKRIS-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCc2cc([C@H]3CC(C)(C)[C@@H]3C)ccc2N1	2318247065	FVGSJKBBQFLMMG-JMSVASOKSA-N	243.394	4.583	0	10	BJAE	
CC(C)(C)[C@]1(CCCC2=CCCCC2)CCCN1	2318544521	YWZCIBWWBSCCAS-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@@H]1CC[C@H](C)C1	2318589258	OQEOHCSJMFGFQU-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)C[C@H]2CCC23CCC3)C1	2319124360	RNXVLCJPYWONHT-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@@H](O)C[C@H]2CCC(C)(C)C2)c1C	2319316055	ZASAQMMOIRGXGW-ZBFHGGJFSA-N	246.394	4.553	0	10	BJAE	
Cc1cc(F)ccc1NC[C@H]1CC[C@@H]1C(C)(C)C	2320239276	CICHLPQUIAUMLW-OCCSQVGLSA-N	249.373	4.618	0	10	BJAE	
CNC[C@@H]1CCCC[C@H]1C[C@@H]1CCC(C)=C(C)C1	2320332845	AXZKGBXHMCAXOV-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CNCCCCCC2CC2)CC1	2320371097	OGFRUNFPPRBQMQ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](C23CC(CC(C)C)(C2)C3)C1	2321641014	AFTIQMNTDZIJSI-JCAIJIATSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CNc1cc(Cl)ccc1Cl	21049691	WKPNFGLNQHWTHU-UHFFFAOYSA-N	246.181	4.842	0	10	BJAE	
CCC[C@H](NC1CCCCCC1)c1ccccc1	21809808	IOJZMTDTEVYABP-KRWDZBQOSA-N	245.410	4.840	0	10	BJAE	
CC[C@H](NC1CCCCCC1)c1ccc(C)cc1	21811167	UYPNYSPQULRIKC-KRWDZBQOSA-N	245.410	4.759	0	10	BJAE	
CCCCCC[C@H](C)NC1[C@@H](C)CCC[C@H]1C	34995405	XVQKMAGDYWOSMJ-QGPPMGRFSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(N[C@H](C)c2sccc2C)cc1C	70089716	JENJOUPCUUCXNS-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CCC[C@@H](CCCc1ccc(C(C)C)cc1)NC	80410627	NGAFYHOWPWKLFX-KRWDZBQOSA-N	247.426	4.521	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)C1CCC(C)CC1	85083075	FDMVZUFYGPMNLK-SLTAFYQDSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cc(F)ccc2C)CC1	86893938	ULHJCIHYEXQGDF-ZFWWWQNUSA-N	249.373	4.905	0	10	BJAE	
CC(C)CC1(C(=O)c2cccs2)CCCC1	87315759	TZYZAVLQJJFFJV-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C2CCC(C)(C)CC2)C1	87940975	PHEKIXILRMQPIX-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](NCCC)C1C[C@@H](C)C[C@H](C)C1	93073918	UFTSOWACUHBKRT-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC1(CN[C@@H](C)c2ccoc2)CCCC1	94873536	UFMRMUASSXFXBY-AWEZNQCLSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C1CCC(C)CC1	109738245	RTOZCCISUGSVQZ-PREGVCBESA-N	245.410	4.554	0	10	BJAE	
CCc1ccc([C@H](O)CCC2CCCCC2)cc1	109788114	QYJHPBSNQOVITO-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CCc1ccc(C(=O)[C@H]2CCCC[C@H]2CC)cc1	111745917	WWSWKIBXLBTFDJ-ZBFHGGJFSA-N	244.378	4.648	0	10	BJAE	
c1csc([C@H]2CCCCN2C2CCCCC2)c1	116148154	BBCHKZRHRVJNLV-CQSZACIVSA-N	249.423	4.608	0	10	BJAE	
CC(C)CC[C@@](C)(O)c1cc2ccccc2s1	127065145	ILIJTFBFXUZILY-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CCCN[C@@H](c1ccc(CC)c(CC)c1)C(C)C	128021218	VKEXAZMCDURYQP-QGZVFWFLSA-N	247.426	4.508	0	10	BJAE	
CC[C@@H](C)Nc1cc(Cl)c(C)cc1Cl	132013708	RFADIBUPKHHNIS-MRVPVSSYSA-N	232.154	4.512	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC(C)(C)C[C@@H]2C)cc1	155832217	MQDBKEZMBCWBCD-DZGCQCFKSA-N	231.383	4.622	0	10	BJAE	
CC[C@H](C)[C@@H](c1ccccc1)[C@H](N)CCC(C)C	158714760	ZEPVTPJXEFGSNB-UAGQMJEPSA-N	247.426	4.580	0	10	BJAE	
NCC1(C2=CCCCC2)CC2(CCCCCC2)C1	161000793	JULAMKCIFYQYCG-UHFFFAOYSA-N	247.426	4.566	0	10	BJAE	
CC(C)CSCc1cccc(C(C)C)c1	202834521	AQLGHWMHBDDJQY-UHFFFAOYSA-N	222.397	4.699	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCCC[C@H]2C(C)C)c1	214427408	SEKVLCYWHNQXHW-HOTGVXAUSA-N	245.410	4.930	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC[C@@H](C)C1	216301623	QFAIANLEWQPJGK-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
CC1(C)CCC([C@H]2CNc3ccc(F)cc32)CC1	232832364	BLQVIOPLMUEXIS-CQSZACIVSA-N	247.357	4.551	0	10	BJAE	
CCC[C@@H](C)Oc1ccc(C(C)(C)C)cc1	233280758	FPJODILOYAZVLW-GFCCVEGCSA-N	220.356	4.552	0	10	BJAE	
CCc1ccc([C@@H](O)C2=CCCCCCC2)cc1	234163481	FEBNCFRZOTWKTO-KRWDZBQOSA-N	244.378	4.563	0	10	BJAE	
Cc1cccc([C@@H](O)CCCC(C)(C)C)c1C	305916511	KKUVDWWHBCMSEA-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C[C@@H](C)CC(C)C)cc1C	305970747	PUNNOLHJUBGSMJ-SJCJKPOMSA-N	248.410	4.718	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cccc(C2CCC2)c1	306053789	USFPUUPHGKQWFT-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CC(C)Cc1cccc([C@@H](O)[C@H](C)C(C)(C)C)c1	306058113	VPNHIWNNMJSIRW-BBRMVZONSA-N	248.410	4.601	0	10	BJAE	
CCc1ccc(Cl)c2cc(Cl)sc12	306561621	TUTUEZZALZOLTP-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CCOc1csc2c(Cl)cc(Cl)cc12	307446446	HMDMGFVXCWZXBB-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC1(C)CCCC1	308044616	DZSKKQNVTUUDRS-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCCCCCC(=O)C[C@H]1CCC[C@@H](C)C1	309436560	KNSWVLRQXOXPDN-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
CC(C)CNC[C@H](CCCC(C)(C)C)C(C)C	309990434	MICYDLKRZSKZFA-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CCC[C@@H](CCC[C@@H](C)C1CCCCC1)NC	310396557	HSQUFXZYMPSBQQ-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)C[C@@H](C)C(C)(C)C	311046666	HJTOFTSIRMYZQF-CZUORRHYSA-N	248.410	4.916	0	10	BJAE	
CCC[C@H](NCC1(CCC)CC1)C1CCCC1	313419805	QAKZAWYDZDMPTG-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCNCC1(CCC(C)C)CCC(CC)CC1	317047019	CGFQADHRAQZCSZ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)[C@@]1(CNC(C)(C)C)CC[C@@H](C)C1	317846877	NODDXDJSOLAPPH-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CC[C@@]1(CNC(C)(C)C)C[C@H]2CC[C@H]1C2	318172145	BWUOJTDYWRCRHP-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)[C@H](C)C(C)C	319705564	YKJFGDHURYZPCW-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCCC/C=C\c1ccccc1)C(C)C	324170991	QVEBITILTDTJFS-GJBHZFNWSA-N	245.410	4.504	0	10	BJAE	
CCC(C)(C)C1CCC(NC/C=C/C2CC2)CC1	379177082	NOKVMKLQXFNDKT-AATRIKPKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CC2(CC)CCC2)C1	382406853	ABXVYOUUUZMMCO-GDBMZVCRSA-N	237.431	4.502	0	10	BJAE	
Cc1ccccc1OC[C@@H](C)C1CCCCC1	383680785	QSDONYBOIBFFQC-CQSZACIVSA-N	232.367	4.590	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](C)CCC(C)(C)C)[C@H]1C	384161459	TVAVESDYIBOIMU-BARDWOONSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)[C@@H](O)c1ccc2ccccc2c1C	384432464	VQEDKXSPVPCKSL-INIZCTEOSA-N	242.362	4.618	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CCCC[C@@H]2C)cc1C	385024600	OXDUOLDVQFYODG-NHYWBVRUSA-N	244.378	4.621	0	10	BJAE	
C[C@@H](CC(=O)CCC(C)(C)C)c1ccccc1	385222147	SRGQBLXWROPGOO-ZDUSSCGKSA-N	232.367	4.576	0	10	BJAE	
CC[C@@H]1CCC[C@H]1NCC1CCCCCCC1	388923791	SFUSNHDMSBYGCE-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CCC[C@H]3C[C@@H]32)cc1	394143478	XRWRMUFDMCZFCB-VBNZEHGJSA-N	243.394	4.585	0	10	BJAE	
CC[C@@H](C)CCNc1ccc2ccccc2c1	394392314	PRFYGHLYEFSJCN-CYBMUJFWSA-N	227.351	4.688	0	10	BJAE	
C[C@H](Nc1cccc2ccsc12)C1CCCC1	395385079	TWFPKJGGZDWLRY-NSHDSACASA-N	245.391	4.892	0	10	BJAE	
CCc1ccc(C)c2cc(C(F)(F)F)sc12	396297862	FSBLTYVLWADONN-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)CCC2CC2)CC1	398102146	IIFLFAAJTYCKCQ-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C(CC)CC	402200423	DUNFVRYRIQPUCZ-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCCCCC1(CNCC(C)C)CC(C)C1	691476299	GXHKRJLSZVAXRZ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](NC[C@@]12CCCC[C@H]1C2)C1CCCC1	693559944	VJMJOIYYUHRLEF-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCC12CCCC2)C1CCCCCC1	694334936	WCWVRDDEEYFFRA-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CC)NC[C@@H]1CCCC2(CC2)C1	695678055	GDIBWSUEBHXNEV-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](N)c1cc2cc(C)ccc2o1	696177331	MLDDZAWXPYBGOY-CYBMUJFWSA-N	245.366	4.567	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cccc(CC(C)C)c1	696550302	LDXYLZPJWBXTMB-MRXNPFEDSA-N	248.410	4.745	0	10	BJAE	
CCC(C)(C)CCOc1cc(C)ccc1C	696783680	FPCSPCGWGVAIEW-UHFFFAOYSA-N	220.356	4.509	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCC[C@H]1CNC(C)C	696806910	PQVYBNORTRAQPQ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(NC2C(C)(C)CCC2(C)C)c1	699617738	RFVZDEFDKDJUDQ-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
CCC(C)(CC)[C@H](C[C@H](C)CC(C)(C)C)NC	701204929	KBHMSIAEQOSKKD-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H]([C@H](CC)CC(C)C)C(C)(CC)CC	701225919	LTDPRKHYHAMEON-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)C(=O)c1cc(C)cc(Cl)c1	701390354	ROCVFCCLZUYKMF-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C[C@H]1CCNc2ccccc21	704797719	RPFZITFLXAOJJC-QLFBSQMISA-N	243.394	4.802	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)CCC(C)(C)C	704876866	HMPLGWVUTQVMPP-HNNXBMFYSA-N	227.436	4.747	0	10	BJAE	
CC(C)CCCCN[C@H](C)C1CCCCCC1	707319105	ANHNTIBHVFRQJI-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@H](C)CC(C)C	708316524	BMQAMUFEJTXDQC-KKUMJFAQSA-N	227.436	4.602	0	10	BJAE	
C[C@@H](C[C@@H](O)c1cscc1Cl)C(C)(C)C	710428790	WLSBRPZHPHKTKI-GZMMTYOYSA-N	246.803	4.507	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C12CCC(CC1)C2	710849702	MRUVBYNRNDPCJX-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@H]1CCNc2ccccc21)C(C)(C)C	711137552	WUJNNRSUKCUIPE-QWHCGFSZSA-N	231.383	4.658	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C[C@H]2CCCC[C@@H]21	712505284	WJVBAZPEXPVREK-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
C=C/C=C\CCC[C@@H](CC)CC(F)F	713678093	MLQKPSKZSXEYDY-ISALQUGTSA-N	202.288	4.580	0	10	BJAE	
C=C/C=C/CCCc1c(C)cc(C)cc1C	713754182	UQBVRMGJWKLGTD-VOTSOKGWSA-N	214.352	4.677	0	10	BJAE	
CCC(CC)C[C@]1(O)CC[C@H]2CCCC[C@@H]2C1	723649607	ZULMZCHGMATEQD-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC/C(C)=C\C[C@@H](N)C1CCCCC1	1082487242	TYKZEBDQWJLYGF-MLRPBERTSA-N	249.442	4.977	0	10	BJAE	
CC(C)CCC[C@H](C)NC1CC(C(C)(C)C)C1	1182060998	AGHLIDLMLLQFFD-NFOMZHRRSA-N	239.447	4.616	0	10	BJAE	
Nc1ccccc1-c1cccc(C2CCCC2)c1	1244985590	XWQZVCGJZCNVLG-UHFFFAOYSA-N	237.346	4.593	0	10	BJAE	
CCC(CC)(CC)CNCC1CCC=CCC1	1561018405	XHSPUEKSKDPWAP-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
C[C@H](CN(C)[C@@H]1CCCC[C@@H]1C)CC(C)(C)C	1653292855	KTUGBQKOOIVYRQ-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@H](C)S[C@@H](C)c1cc(F)ccc1F	1656320967	BXXBILFZOHXTAN-UWVGGRQHSA-N	244.350	4.804	0	10	BJAE	
CC[C@@H](C)Nc1ccc(Cl)c(C)c1Cl	1888965601	QBAKRPIPFRWNHH-SSDOTTSWSA-N	232.154	4.512	0	10	BJAE	
Cc1sccc1-c1cc(C(F)F)cs1	1889519968	WCLOHCRCXNXZFD-UHFFFAOYSA-N	230.304	4.723	0	10	BJAE	
CCC(CC)CCC(=O)C(C)(C)C(C)(C)C	1900697816	RGHUYTYWKUVJHV-UHFFFAOYSA-N	226.404	4.844	0	10	BJAE	
CCC(CC)CCC1(N)CCC(C)(C)CC1	1900712386	JUGHCBUAGXTGTB-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCc1cccc(C2(C)CC2)c1	1901885460	VXTGYHSXHBEBPK-UHFFFAOYSA-N	216.368	4.717	0	10	BJAE	
CCc1cscc1-c1nc([C@@H]2C[C@H]2C)cs1	1905272479	SLZLSYMATQQNPN-PSASIEDQSA-N	249.404	4.557	0	10	BJAE	
CCC[C@H](CC)CN(C)c1ccccc1Cl	1905309507	VNUFAXNMHMCVKE-LBPRGKRZSA-N	239.790	4.603	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1C[C@H]1C1CCCC1	1910807941	OLPPOZNDGMWCHC-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCCN[C@H](C)c1ccc(C(C)C)cc1	1912053177	QJQAIMCTPUHGAB-OAHLLOKOSA-N	243.394	4.593	0	10	BJAE	
CC=C[C@H](NCC)C1CCC(CCCC)CC1	1912060770	INQNKKPSVRMDSE-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC(C)(CN[C@@H]1CCC2(CCCC2)C1)C1CCC1	1916435774	PFFZNYRTPBIFCO-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCC3(CCCC3)C2)[C@H](C)C1	1916443052	UAAYNXACNGIRPQ-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)CC)C=CCCC1	1916566551	XYNOATAAPQEWQW-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](O)(CC)c1ccc2sccc2c1	1919512339	YLPVYMXOQARRGY-OAHLLOKOSA-N	248.391	4.689	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@H]1CCCC12CCC2	1921643871	KYMYSTFGNUOYIH-OAHLLOKOSA-N	246.394	4.807	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NC1C[C@H]2CCC[C@H](C1)C2	1923480269	LOGIHHXNWZPANQ-QBYUYEEZSA-N	249.442	4.514	0	10	BJAE	
CC1CC(CC(=O)c2cccc3sccc23)C1	1925142372	AFCVELSLOLFFOC-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)CC1(C)CCCCC1	1940417645	XUMPQGYXRDMYML-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C(=O)CC1CCCCC1)C(C)C	1941264246	KFTMBOWSCUGECI-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H]([C@@H](CCC)C(C)C)[C@H](C)C(C)C	1941269954	UXGLOARTDUGBNE-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
O=C(CC1CCCCC1)c1sccc1C1CC1	1942500366	WUCMWRVEPLQGMT-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CCCC[C@H]1C(C)C	1942660256	KKXZMJWPPDYNKR-JYJNAYRXSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(O)CCCC(C)(C)CC1	1942665006	UZMVTXHTQTTYRQ-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@]1(CNC(C)(C)C)CC12CCC2	1944513668	UJXCBOAIMUGQKB-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC1([C@H](N)[C@@H]2CCC[C@@H](CC)C2)CCC1	1948926652	FCOHDSVXNDOEPJ-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CCC(C)(C)C1CC1)C1CCCC1	1949035292	NYPUVMKUCSOHSW-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)C1([C@@H](N)CCCCCC2CC2)CCC1	1949082091	AHQWCMAXDPJNGH-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@@H]1CC[C@H](C)C1	1949518609	MKVZMKOCUWEOOB-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC1(CO)CCC(C)CC1	1950908557	OIGFYJWJXCQYHK-UHFFFAOYSA-N	240.431	4.782	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2CC2(C)C)CC1	1950918842	LPSIKQAXOSELAZ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CCCC2(C)CC2)CC1	1950922764	CGZWZRTWJRKRMS-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CC(NC[C@@H]2C(C)=CCC[C@H]2C)C1	1963182658	NFTNGPFEJBEELH-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCN(C[C@@H](C)CC(C)(C)C)[C@H](C)C1CCC1	1966565521	LETYILGOIGSLLD-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](N[C@H]1CCC[C@@H]1C1CC1)C1CCCC1	1967853497	QRPJANHTAIVVPB-IKGGRYGDSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N[C@H](C)C2(C)CCC2)cc1Cl	1968263012	UCPGPNASTMDXPD-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CCCC[C@H](CC)C[C@](CC)(CN)C(C)C	1986417846	AQXPXJYIFRPJQZ-LSDHHAIUSA-N	227.436	4.604	0	10	BJAE	
CCCC1(C(=O)c2cc(C)c(C)s2)CCC1	1989971057	TVTNFDYRNIRMNU-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@H]1CC=CCC1	1997545887	HCZWYTDTQBUDQY-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)C1(C)CCCCCC1	2000320993	OVDBGZFMJQJSNA-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CN[C@@H](CCC1(C)CCC1)CC1CCCCC1	2001150718	FVKQLQQTNYJSCO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C1CC(C(C)(C)C)C1	2002326531	VNRGDDOCQRMPLF-PNESKVBLSA-N	238.415	4.700	0	10	BJAE	
Cc1cc(Cl)nc(-c2ccc(C3CC3)cc2)c1	2003079554	WOIHNINWJATEHW-UHFFFAOYSA-N	243.737	4.588	0	10	BJAE	
Cc1cccc2c3c([nH]c12)CCCCCCC3	2003100265	QOETUSRYOZIQGY-UHFFFAOYSA-N	227.351	4.525	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2003220238	GKVZKCMYPSAVKG-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
O=C(CC[C@@H]1CC=CCC1)c1ccccc1Cl	2003683596	PYCORSOQBUSFHZ-GFCCVEGCSA-N	248.753	4.659	0	10	BJAE	
CCCC[C@@]1(CNCCC)CCCCC12CC2	2005562091	XVDPXICBSKQMDH-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CCN[C@H]1C[C@@H](CCC(C)(C)C)C[C@@H](CC)C1	2006632651	UIHVFQGFTHHJBO-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCC(=O)c1c(C)cc(C)cc1C	2009570957	CQVAYJQZKYLJNN-AATRIKPKSA-N	230.351	4.541	0	10	BJAE	
C/C=C/CCCNCC1(CC(C)C)CCCC1	2009593470	BGHYPZAUBKLDCK-SNAWJCMRSA-N	237.431	4.539	0	10	BJAE	
CCCCCC1CC(O)(C2=CCCCCC2)C1	2009716338	RPIJAXLOKAYQHW-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C(=O)CC[C@@]23CCC[C@H]2C3)sc1C	2011011692	QGHMJSVPZCJZQY-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
Cc1cccc(N[C@@H](C)C2CC3(CC3)C2)c1Cl	2012414981	ZVSWFVOHZWQLSE-NSHDSACASA-N	249.785	4.639	0	10	BJAE	
CCCC[C@H](CC12CCC(CC1)CC2)NCC	2012819683	OMHFVLMVAVGMRA-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C[C@@H](C[C@H](C)C(C)C)NC)C(C)(C)C	2015289480	CAYXVBNCWBWAPT-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C[C@@H]1CC[C@@H](C)CCC1=O)C(C)C	2015389339	USWRFCCSKYUDEI-KGLIPLIRSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(CCC(=O)CCC1CCC1)C(C)C	2015391428	ZWJZATAGRKWUPU-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCNC[C@H](CC(C(C)C)C(C)C)C(C)(C)C	2015413325	UMIULRNUYIRJKH-AWEZNQCLSA-N	241.463	4.577	0	10	BJAE	
CCCCC[C@@H](NCC)C1(CC2CC2)CCC1	2015760518	LJVUVRUCCHTUFX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@@H]1CCCCC1(C)C	2017476922	CEHIJLKPEJSWSN-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)C[C@H]1CC[C@H](C)CC1	2017649931	BBKULHBXKDLUEB-KLHDSHLOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C)C[C@@H](C)NC)CC1	2017732483	BHSHMYPTQTUSRX-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)C[C@H]1CC[C@H](C)CC1	2017771823	MYPZPFBFRBQLJD-KLHDSHLOSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2CCCCCC2)CC1	2017773657	DECNOEWQVBDLIL-HDJSIYSDSA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC(CC(=O)C(F)(F)CC)CC1	2017776036	KEFSKAATTVPLJW-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CC[C@H](CC)[C@@H]1C	2018138281	FFBRWPJNMQFNHL-YHUYYLMFSA-N	239.447	4.760	0	10	BJAE	
CCCC1(C[C@H](NC)C(C)(C)C(C)(C)C)CC1	2019007853	GYBRXRFOFNFTMH-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCCN([C@H](C)CC)[C@@H]1CCC[C@@H](CC)C1	2019198701	BGAIRGFVKDKAGQ-BZUAXINKSA-N	239.447	4.856	0	10	BJAE	
CCC(CC)N(C)Cc1ccc2sccc2c1	2019296737	AQGIEPDFLSTETL-UHFFFAOYSA-N	247.407	4.522	0	10	BJAE	
CC=C(CC)[C@@H](CC[C@@H]1CC1(C)C)NCCC	2020973595	HCOYIZZIUBHXPC-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@H](Nc1ccccc1C1CC1)C1(C)CCC1	2021028843	XYUSKYAQAFMGEM-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2022414556	KZGQDCUPRRKOEY-HUUCEWRRSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](O)CC1CCCCCC1	2022451048	KZVQBYUYCGAOJU-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)CCCCC(C)(F)F	2023303475	DGIUJMYBEZHVKP-JSGCOSHPSA-N	248.357	4.533	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@](C)(N)C2CCCC2)C1	2024095482	RFRSFWSGXIHYCQ-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@H]2C=CCCC2)C1	2024101294	JPOXJMJXORWLHX-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CCCN(C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2024119269	WHAXDGNEHYPVPD-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C)[C@@H]1CC(C)(C)CC	2024512164	BOADXNAVPYSVQD-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C)[C@H]1CC(C)(C)CC	2024512165	BOADXNAVPYSVQD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C1C(C)(C)C1(C)C	2026167156	PJVYXPVPDIAKBK-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1ccccc1C1CCC1	2028262867	KWAUKOHLOXPBEW-WMLDXEAASA-N	245.410	4.636	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)CCCCCC2CC2)c1	2028618448	GFYVOLBXZBRHRC-KRWDZBQOSA-N	246.394	4.697	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C1(C)CC(C)C1	2029105012	MNJSXVKOJKEEMV-JCCCHCCOSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](c1cccc(C)c1C)[C@H](C)CCC(C)C	2029821171	RLXRWLKJLGAGPL-PBHICJAKSA-N	247.426	4.636	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1cccc(C2CC2)c1	2029838876	VFGOQSAJFMSFQF-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
Cc1cc(C(=O)CC2C[C@@H](C)C[C@H](C)C2)c(C)o1	2031799774	BZDAPYRTASTGAE-QWRGUYRKSA-N	248.366	4.542	0	10	BJAE	
Cc1cc([C@@H](N)C(C)(C)C2CCCCC2)oc1C	2032341291	JNRPGFFELULFCO-OAHLLOKOSA-N	249.398	4.503	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(N)CC(C3CCCC3)C2)C1	2033781491	GNLHAYKHPGZIBP-CRYBEJKASA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccccc1C	2035418525	BCVKGLKAVGKFDX-ZMSDIMECSA-N	245.410	4.614	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@@H]1C[C@H]1C=CCCC1	2035594511	VRGGNNXJKRIVJA-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(CNC2CCCCCCCCC2)co1	2036166559	LEKWAAKNNHRBPB-UHFFFAOYSA-N	249.398	4.571	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@](N)(C[C@H]2CC=CCC2)C1	2037167580	YBKVPZCDNXKSAO-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1[C@H]1CCCC[C@H]1C	2037227377	WFYKCKSKSQINEB-WVZRYYJFSA-N	243.394	4.658	0	10	BJAE	
CC1(C)CC(C)([C@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2037694687	ODKUHGGLWAJFJM-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC1(C)C)c1ccccc1	2038139885	YXQJAJUUTIEVRZ-HOTGVXAUSA-N	245.410	4.554	0	10	BJAE	
CC[C@H](CC1CC1)Nc1cccc(C2(C)CC2)c1	2038363401	OHZIFDXSAAQTIT-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@H]1CCC2(CC2)C1	2038567103	HPKSZRMHYPKUSK-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)[C@@]1(CNC2CC2)CC12CCCCC2	2039006108	NCFKTYURRIZHRY-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](NC[C@@H]2CC23CCCCC3)CC1	2039057610	GPKGGUTVHRCUJF-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2C[C@H]3C[C@@H]3C2)CC1	2039386186	PYQOXJSCNKBIPM-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](NC1CC(C)(C)C(C)(C)C1)c1ccco1	2042335510	VUUXMNGTPHILRR-ZDUSSCGKSA-N	249.398	4.535	0	10	BJAE	
C[C@@H](N[C@H]1CCC2(CCC2)C1)C1(C)CCCCC1	2043608158	VCAXVINFWJFKAO-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)C[C@@H]1CCC=CCCC1	2045310318	NIPFEDKGMUMXNK-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC=CCCC1)C1(C)CC1	2045322151	CBFQLVACASUCHW-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@@](N)(C[C@@H]2CC23CCCCC3)CC[C@H]1C	2047058793	LVVQMUZVOYSNCO-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCC[C@]1(O)CCCCC12CCCCC2	2047590691	SMJIGRAALVGTKG-KRWDZBQOSA-N	248.410	4.764	0	10	BJAE	
CCCN[C@@H](C1CC1)[C@@H]1CCC2(CCCCC2)C1	2048127039	GZFVHITVNAAFIP-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H]2[C@H]3CCCCC[C@H]32)CC1	2048385267	HVPATJRLVGSGQF-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1[C@@H]2CCCCC[C@@H]12	2048387561	YKPKDIIVHJAWNZ-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
O=C(C[C@H]1[C@H]2CCCC[C@H]21)C1CCCCCCC1	2048469929	GJKPUUFSZZZMLK-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@](CN)([C@@H]2C=CCCCCC2)C1	2049491617	AYKMXXSOSCIFAJ-WBVHZDCISA-N	249.442	4.668	0	10	BJAE	
C1=C[C@H](NC2CCCCCCCC2)CCCCC1	2049641678	KFQDXIRPKGLWFZ-KRWDZBQOSA-N	249.442	4.968	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@@H]1C[C@@H]1C=CCCC1	2049706031	XQQFPPYNVGZSCP-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(NC[C@@H]1CCCC2(CC2)C1)C1CCCC1	2049860853	YRFUUFSYOAZGGW-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CCN[C@@H]2CCC[C@@H]3CC[C@H]32)CC1	2052281218	ROFHWUJJWRBDOH-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NC[C@@]1(CC2CC2)CCCCC12CC2	2053362730	YKMBOYYIIWTNQM-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC2CCC=CCC2)CC[C@@H]1C	2055599767	MQBWBTSWVKHBPW-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H]1C[C@H](C[C@@H]2C=CCCCC2)CC[C@H]1C	2055605570	YDXZBBNMOUYARJ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1CN[C@H]1C=CCCCCC1	2056486278	ZOYWYGSNIRZOPH-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@@H](C)CC1)C1CC(C)(C)C1	2060924926	HMLSAVISHCTUKH-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@H](C)C1CCCC1	2060926700	SOKWTBPMCUOMSR-VBQJREDUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C([C@H](N)[C@@H]2CCCC(C)(C)C2)CC1	2061096179	SDLFVWDWSCDBBR-CABCVRRESA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)[C@@H]2CCCC(C)(C)C2)CC1	2061116325	PBMPOZSCJTZZSC-NUEKZKHPSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCCC1CCC1)C[C@]12CCC[C@H]1C2	2061614304	VATUIPWSNYSFON-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@H](C)CC1CC(=C2CC2)C1	2061659829	CBCPVAYDBWCCMS-CHWSQXEVSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c(NCC2CC(=C3CCC3)C2)c1	2061719816	DESPAEKOLBKBND-UHFFFAOYSA-N	241.378	4.606	0	10	BJAE	
CC1(C)CCCC[C@]1(N)CC1CC(=C2CCC2)C1	2061740129	VHSWVPPWAJXRDP-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)C[C@H]1C=CCCCC1	2065942225	HZEIEDKTJZSCDS-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)CC1CC(=C2CC2)C1	2066056010	PNNGSVVWDVEEBQ-QGZVFWFLSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1cccc(C(C)C)n1	2066347426	QSFWQFVCIDRUPQ-UKRRQHHQSA-N	246.398	4.586	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)C2CCCCC2)n1	2066347752	UQNQMTAOYNPYRN-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
CC(=CC1(C)CCCCC1)c1ccc(CN)cc1	2067345795	YAKWMATVDXPDIG-UHFFFAOYSA-N	243.394	4.519	0	10	BJAE	
CC(C)c1ccc([C@@](C)(O)C[C@@H](C)C(C)C)cc1	2068817321	FXILPTQNIAJVBJ-PBHICJAKSA-N	248.410	4.700	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2C[C@@H](C)C[C@@H](C)C2)oc1C	2068917494	RLJCTHFJJMFLMC-YABSGUDNSA-N	248.366	4.542	0	10	BJAE	
CCCC1(C[C@H](NCC)C2(C3CC3)CC2)CCC1	2069335174	LTDURWSEKUTCDC-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)C[C@H]1C[C@H]1C	2071502933	DIWGJGKRRHZNMZ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)C[C@@H]3CC[C@@H]3C2)CC1	2072805651	DSTKCBGIIKFGTG-KTBIRVAVSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@@H]1[C@@H]1CCCC2(CC2)C1	2073796401	YPOAVGGZOZBXAQ-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@@H]1CCCCN1[C@@H]1CCC12CCCCC2	2075010212	HKIKBJXWRGRNHZ-JKSUJKDBSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CC(N(C)CCC2=CCCCC2)C[C@@H](C)C1	2075151432	IBVQJVJARQKTGV-GJZGRUSLSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@@H]1[C@H](C[C@@H]2C=CCC2)CCCC1(C)C	2076399518	BWCOJGSWBBBZMK-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@]1(C)Nc1ccc2ccccc2c1	2076670398	UYYYHMOLMIQFQG-QGZVFWFLSA-N	239.362	4.830	0	10	BJAE	
CC=C(CC)[C@@H](NCC)c1cccc(C2CC2)c1	2077187659	OQHGKPXKRXNMML-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@H]1C1CCC1)C1CCCC1	2079328616	MULPSJYXCSVJJW-ZFWWWQNUSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1C[C@H]1C(C)(C)C	2079619995	OHFCWHFBHPLRFO-UKRRQHHQSA-N	245.410	4.904	0	10	BJAE	
Cc1cccc(NC[C@@H]2C[C@H]2C2CCCC2)c1C	2079638008	AFKMNDNFAMRXRM-HOTGVXAUSA-N	243.394	4.542	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2C[C@H]2C2CCCCC2)C=CCC1	2079850408	FIYJJRPECPJPFD-ZOBUZTSGSA-N	246.394	4.518	0	10	BJAE	
CC(=CC1C[C@@H](C)C[C@H](C)C1)[C@H]1CC[C@@H](N)CC1	2082134631	WDWURVYOCQLGJQ-MGBSGCIJSA-N	249.442	4.523	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C1CCCCC1	2213572762	ACAWRNNNQMYUEY-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CC[C@H](O)[C@H](CCCCCCC2CC2)C1	2213580702	NRPSCGNIOKPYOO-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CCC(=O)C1(C)CC2(CCC2)C1	2215375961	WXAQDNVTKQYDFG-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)CC(C)(C)C(C)C)CC1	2215811671	DMWGHCZZCNRIPY-GOEBONIOSA-N	237.431	4.523	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CC(C)(C)C(C)C)CC1	2215811672	DMWGHCZZCNRIPY-HOCLYGCPSA-N	237.431	4.523	0	10	BJAE	
Cc1ccc(C)n1[C@H]1CCC[C@@H](C(C)(C)C)C1	2216255432	DCJNGBJFQFUACH-CABCVRRESA-N	233.399	4.882	0	10	BJAE	
CC[C@@H](C)NC[C@H](CCCC(C)C)CC(C)C	2217124913	LHIFYDIHWIBYOC-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CN[C@@H](C)CC)C[C@H](C)C(C)(C)C	2217146689	BZEGXBWTGHELPE-KKUMJFAQSA-N	241.463	4.863	0	10	BJAE	
N[C@@H](CCC1C[C@@H]2CCC[C@H]2C1)C1CCCCC1	2220295460	CJYYZGLQFJSOKK-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(CC2(C)CC3(CCC3)C2)C1	2221029091	WXALZQYOTCOCQU-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CC[C@@H]1CCC[C@@H](C)C1	2246728605	SZDQRGGXDZATCJ-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
Cc1cccc(NC[C@H]2CCC23CCC3)c1Cl	2247394690	QMKNKSONHFZSFS-GFCCVEGCSA-N	249.785	4.641	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC[C@H]1CCCC12CC2	2247624733	ZSJUPTWALOKBLO-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C(NCCCCC1CC1)C(C)(C)C	2247750441	JMBMYSUORXNMNI-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN(C)[C@H]1CC1(C)C	2250475903	MOYPETJTGYTGSP-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC[C@H](NCC[C@@H](C)CCCC(C)C)C1CC1	2250492788	IXOYWLQENYUISP-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@]12CCCC[C@H]1CC2	2251098615	FRTNCAQMDQLZNS-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CCCCC(C)(C)NC[C@@]12CCCC[C@H]1CC2	2251158718	PHYHLOSXXMPDKH-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](C)(O)C[C@@]12CCCC[C@@H]1CC2	2251223196	ROALZVCYABSSGS-PMPSAXMXSA-N	238.415	4.678	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2(C)CC(C)C2)cc1C	2253677123	AGKMURDPPBMFRQ-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CC1CC(C)(CC(=O)C[C@H](C)c2ccccc2)C1	2253680052	MMDSFVPGGQWTSC-UUCFBXCCSA-N	244.378	4.576	0	10	BJAE	
CCN[C@H](CC[C@H]1CCCCC12CC2)CC1CC1	2253812116	PECXERDMWZPJNB-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C1CC(CC2CC2)C1	2254589414	BNOMSGTVWIADGD-GOTCIRLWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN[C@H]1CCCC2(CC2)C1	2257314578	GVJGLOICBARNSF-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@]23CCCC[C@@H]2CC3)C1	2260499952	HPFLYQRVCZIVLF-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
O=C1CCC[C@H](c2cccc(C3CCCC3)c2)C1	2260731693	XWYFLRKXABEXKG-INIZCTEOSA-N	242.362	4.571	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@H](C)CC1CCC1	2298850175	NGIOOKQPMCRTEQ-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H]1CCC(C)(C)CC[C@@H]1N	2300685439	FLQQTQLWRDEJEI-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CC=CC[C@@H](NCC)[C@H]1CC[C@H](CCC)CC1	2300876017	BFOXBZXFBKCQMO-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCOC(CC=C(C)CCCC(C)C)OCC	2300876583	HYAWSLOMDLPKKS-UHFFFAOYSA-N	242.403	4.548	0	10	BJAE	
CC(=CC[C@@H](CO)C(C)(C)C)CCCC(C)C	2300932279	RLVVDDNEAGHQCJ-HNNXBMFYSA-N	240.431	4.804	0	10	BJAE	
CC1(C)CC[C@H](CC2CCCCCC2)[C@H](O)C1	2301140134	MKKLPZZUOFAQSI-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@H](C)[C@@H](C)C(C)C	2301863881	IJVFLIBMWBISTJ-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC(C)CCCc1ccc(OC2CCC2)cc1	2302228907	MEQUMNJJKKHXOY-UHFFFAOYSA-N	232.367	4.597	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC[C@H]2CCCC[C@@H]2N)C1	2302513423	OTZZMIFTQQUHKM-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCC[C@H]1CCC(C)(C)C1)C(C)C	2302901205	HFSCWPHUZCLACA-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCC(=O)c1ccc(C)cc1SC	2303077952	KFRHDXIFAFKOGR-UHFFFAOYSA-N	248.391	4.646	0	10	BJAE	
CCCCCCN(C)C[C@@H]1CC[C@H]1C(C)(C)C	2303433716	DVLDDLRWVWLKLM-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H]1CC[C@@H]1C(C)(C)C	2303450560	UZVGVYOGSJPLSL-ILXRZTDVSA-N	237.431	4.523	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1CCC(C)=C(C)C1	2303515645	JFCCNHXDAPZNKW-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@H](CC[C@@H](C)CNC(C)C)CC1	2303574641	BBZDOUAFYPUGEF-CZUORRHYSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@@H]1CCC[C@@H](C)CC1	2303620289	YJFOUIRZUOXVAJ-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCC1(NCC[C@@H]2CCC(C)(C)C2)CCC1	2304406777	DTTNTWXORGUJER-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2304435307	IAVULZFAMWOINT-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@](N)(CC1CCCCC1)C2	2308397895	ZFXLXMCUYGWKGM-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2CC[C@@]3(C)C[C@@H]23)c1	2313072374	RYFNGLHFBZSEHS-ZOBUZTSGSA-N	243.394	4.585	0	10	BJAE	
CCC(CC)CC[C@@H](N)c1cc(C)c(C)cc1C	2316242780	HYIRZMBFHHLSRA-QGZVFWFLSA-N	247.426	4.828	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1CC[C@@H]2C[C@@H]21)CCCC(C)C	2316551706	VDVUQCQJOWZPKP-NCOADZHNSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CCC=C(C)CC)c1ccccc1	2316568360	PIDCPXKLJKRRAR-QGZVFWFLSA-N	245.410	4.864	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H]1C[C@H]2CCC[C@H]1CC2	2316954657	CPAGRFYTKNBIPX-DMRKSPOLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@](N)(CCCC1=CCCCC1)[C@H]1CC1(C)C	2318548055	IOBSPQNGECBJEM-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C[C@@H]2CCCC[C@H]2N)CC1	2318951894	MJYRUWAFXXSBGX-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C[C@@H]2CCC[C@@H]3C[C@@H]23)C1	2319131712	RHIFJZSUZNPZAG-CTASWTNQSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)C2CC3(CCCC3)C2)C1	2319314291	RLMSJQORENIALE-UKRRQHHQSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(O)CCCC23CCC3)CC1	2320339374	DFLDFNBXNSUOKT-RDJZCZTQSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(N)C[C@@H](C)CCC1=C(C)C	2320453988	LFYPXKOCIMPERP-HWMZRRJGSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](CCC2(N)C[C@H]3CC[C@@H](C3)C2)C1	2321601234	XOAWTMXPSHUVRZ-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCCCCCc1ccc([C@@H](N)CC(C)C)cc1	2327896344	OGPDDACBLPRZRS-KRWDZBQOSA-N	247.426	4.855	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)c1ccccc1CC	2328277712	ZDETXCPWCFOJTP-WMLDXEAASA-N	247.426	4.639	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1cccc(Cl)c1F	20472172	NCOVMZHDMTVJOY-SNVBAGLBSA-N	243.753	4.716	0	10	BJAE	
CCCCC[C@@H](NCC)c1ccc(CC)s1	35537462	ZQHYBHYWANKDCR-CYBMUJFWSA-N	239.428	4.541	0	10	BJAE	
CC(C)Nc1ccc(SC2CCCC2)cc1	37085924	JLWYHTQVUUBAKZ-UHFFFAOYSA-N	235.396	4.542	0	10	BJAE	
CCCC[C@H](C)N[C@@H](c1cccs1)C(C)C	37302515	PREPJFRPTIIWSV-GXTWGEPZSA-N	239.428	4.614	0	10	BJAE	
CCc1ccc(CNc2cccc(C(C)C)c2)o1	51721739	GWBNLJVRVSHDQO-UHFFFAOYSA-N	243.350	4.578	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccc(Cl)cc2C)C1	70748778	HJXITPFZXKUBRG-DGCLKSJQSA-N	237.774	4.639	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccc(F)c(C)c1	70978396	FGHWVBBZDGNDKW-DOMZBBRYSA-N	235.346	4.515	0	10	BJAE	
CC1(C)CCC(Nc2ccc3[nH]ccc3c2)CC1	75177503	ZALHBWLDEGXCQA-UHFFFAOYSA-N	242.366	4.549	0	10	BJAE	
CCC[C@H](C)CNc1ccc(C(C)C)c(C)c1	83360403	WLQJBFHQYQSYGG-ZDUSSCGKSA-N	233.399	4.967	0	10	BJAE	
CCCCCC[C@]1(O)CCCC(C)(C)CC1	83520561	MYMAIBISHOKSCP-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Sc2ccc(N)c(C)c2)C1	91939110	VYEZEPTZYBTQOZ-CHWSQXEVSA-N	249.423	4.638	0	10	BJAE	
CC[C@@H](C)c1ccc(-c2cc(F)ccc2N)cc1	104025916	NBPXMRGRMGCKCA-LLVKDONJSA-N	243.325	4.588	0	10	BJAE	
CC(C)(C)CNc1ccccc1-c1cccs1	109885816	OOMLDYVUZDJZHH-UHFFFAOYSA-N	245.391	4.873	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NC[C@@H]1CCCC[C@@H]1C	109937690	VXDJJGDSZBLHEK-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@H](N)CCC(C)(C)C)CC(C)(C)C	126728923	FABKWTYTCNJBTA-QWHCGFSZSA-N	227.436	4.602	0	10	BJAE	
FC(F)=C(Cc1ccccc1)c1ccccc1	140838011	KNVXOINITHOUCF-UHFFFAOYSA-N	230.257	4.537	0	10	BJAE	
CC1(CNCC2(C)CCCCC2)CCCCC1	149443202	KUZNZIBZTVRMRF-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@H]1CC(C)(C)CC[C@@H]1CNC(C)C	156299488	HBUNYURRAWPPCQ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC1CCCCCC1)c1cc(C)oc1C	161959206	OIANOIWXMRXFJM-MRXNPFEDSA-N	249.398	4.517	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C[C@H](C)CC(C)(C)C	163425127	IYCQDGSJBNRLKC-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCCCCCC(=O)c1ccc(OCCC)cc1	165401772	LROKMRYBZSPZFE-UHFFFAOYSA-N	248.366	4.629	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@H](CCCC(C)C)C1	165493061	XWBZPMNJNMPNOH-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)c1cccs1	165791988	YXXRHEKSRODVSW-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
C[C@H]1CC(C(=O)C[C@@H](C)C(C)(C)C)C[C@H](C)C1	166005698	SMYDACACDXCHEX-JHJVBQTASA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1ccccc1Cl	168885720	GDIOXBYOQFZCEV-BXUZGUMPSA-N	240.774	4.590	0	10	BJAE	
CCCC[C@@H](CC)CC1(O)C[C@H](C)C[C@@H](C)C1	219801668	HIHWMLJDKRMNPV-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CC[C@H](O)CCC1CCCCC1	229339175	ZPZNMWDVYQTVPJ-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)C(C)(C)C	233119261	QYBBDDKVIJYUII-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H](C)CC2)CC1	235343381	CHNGRINWKJXXEQ-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@H](CC)C1)C(C)C	251531538	AJOOZVWKEBJVAU-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCCCC[C@H]2C)CC1	252217670	YDYDOGFSBRJUGL-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
c1cc(C2CCCCC2)cc([C@H]2CCCCN2)c1	258404147	YITMEVKCNPOMKC-QGZVFWFLSA-N	243.394	4.549	0	10	BJAE	
CC[C@@H](C)c1ccc(CC2CCC(=O)CC2)cc1	259097787	JTMAZSWWKJXKLV-CYBMUJFWSA-N	244.378	4.502	0	10	BJAE	
CNc1ccc(-c2ccc(CC(C)C)cc2)cc1	259316889	RGEKMRLAHYEPKP-UHFFFAOYSA-N	239.362	4.594	0	10	BJAE	
CC(C)(C)c1ccc(-c2cc(C#N)cs2)cc1	259482558	NWKOIAIJFMCLEK-UHFFFAOYSA-N	241.359	4.584	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@H](C)C(C)C	300131797	FYFIJBGFIZEWOE-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H]1CCC[C@H]1C	300284992	QJURHLNIOGIZFU-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@](C)(O)CCC2CCCCC2)cc1	302242978	GGWMUEHGPQLDBN-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1C	302283931	JLZAQSFPBWWDOL-SUYBPPKGSA-N	245.410	4.794	0	10	BJAE	
CCCC1CCC(NC[C@H](C)CC(C)C)CC1	305943341	LUXCMJJVYZEDKY-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@@H]1CCCCC1(C)C	305974188	ZMCYIVUUEFYGNJ-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)C[C@@H](C)CC(C)C)C1	306013302	XDHHCMAFAWMGHR-XUWVNRHRSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1F)c1ccccc1	306037282	XTKZCZVBVKZIFJ-AWEZNQCLSA-N	243.325	4.697	0	10	BJAE	
Fc1ccc2c(Cl)c(C(F)F)sc2c1	306686558	KJRDMWNUBOXOAV-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
Cc1csc2c(C(F)F)c(Cl)ccc12	307352922	MZXQVGPYZBIWIR-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)c1ccc(C)c(C)c1	308042133	BPTXBGDKLQWZHF-RDJZCZTQSA-N	247.426	4.766	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)[C@H]1CCC[C@@H](CC)C1	308105261	VAUQOSNZEVKCTH-FXUDXRNXSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H](CCC)CC(C)C	308113419	QWIBBMSTHPLSNM-UONOGXRCSA-N	226.404	4.844	0	10	BJAE	
C[C@@H]1CC[C@]2(C)CCC(C)(C)C[C@H]2[C@@H]1C	308715593	PEBJZQBEEWPOET-GUIRCDHDSA-N	208.389	4.885	0	10	BJAE	
CC(C)CC[C@@]1(CNC(C)C)CCC[C@@H](C)C1	317586231	IKUSROFQUDDZBE-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CNCC1(CC(C)C)CCCCCC1	319310828	CXBBQSVKWVDPCX-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CC/C=C\c1ccccc1	324195990	VGLFCBFLMAVDNK-UEOUDEGLSA-N	246.394	4.667	0	10	BJAE	
CC(C)[C@H](N[C@@H]1CCCC12CCCC2)C1CCC1	324909382	JGGOWKWFEWLCOG-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
C[C@](O)(CCC1CCCCC1)C1CCCCC1	379851646	JMYPANSVLZNNMB-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CC1CCC(C)(C)CC1	380038105	IJDNLBUMPPDLLU-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](NC(C(C)C)C(C)C)c1ccccc1	380700456	XATCFXLLMDCZCF-MRXNPFEDSA-N	247.426	4.798	0	10	BJAE	
CC(C)(C)c1cc(S)cc(C(C)(C)C)c1F	380876229	QZHVZBMTDBVYRU-UHFFFAOYSA-N	240.387	4.709	0	10	BJAE	
CC1(C)CCC(CCC(=O)C(C)(C)C)CC1	381149969	OTSGLIIOIOSSHK-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCc1ccccc1[C@H](O)C[C@H](C)CC(C)(C)C	381276440	SZSSMYXEDUTTCH-XJKSGUPXSA-N	248.410	4.745	0	10	BJAE	
CCCN[C@@H](CCC)[C@H]1CCCC12CCCC2	383107502	DMHVDWKAPIHSLI-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC[C@@H](C)[C@@H]1C	383259049	XLQAZRSZCDCQLZ-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CC1CCC(CC(=O)[C@@H]2CCCC2(C)C)CC1	383560436	DUXHVKBPWUVVST-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCCC(C)(C)C1	383589416	XKDXCYACKTZMPR-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CCC[C@@H]1Nc1ccc(C(F)F)cc1	386347969	UEVOZXDWGPBISP-GWCFXTLKSA-N	239.309	4.615	0	10	BJAE	
CC[C@](O)(CCCC(C)(C)C)C1CCCC1	395717994	MJMMINKVVZCFAR-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCc1csc2c(C(F)F)cc(F)cc12	396210528	JSFBNQNLIQZBLG-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
COc1cc2sc(Cl)cc2cc1C(F)F	396292337	UKJJSOCZWGRTAG-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
C[C@H]([C@@H](N)c1ccccc1C1CCC1)C(C)(C)C	399079138	RKUNZLQDNNXGLW-MLGOLLRUSA-N	245.410	4.636	0	10	BJAE	
CCCN[C@H](c1cccc(C)c1)[C@H](C)C(C)(C)C	399190713	YBHKUZLPDDJMBK-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C[C@H]1CC=CCC1	402336844	NJNLMAHFWGLAIY-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCC1CCC([C@H](N)CCCC2CCC2)CC1	688358142	XGYWPFWBZWFIOT-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCCC1CCC1)NCC	688369473	RGVRLNVPDWIASN-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCCC1CCC1)c1cc(C)ccc1C	688399657	XJHILVYRCXAJCX-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCNCC/C=C(/C)C[C@@H]1CC2CCC1CC2	691700879	LCPGQZOOBOZGIR-RDKSATBMSA-N	249.442	4.539	0	10	BJAE	
CCC1(NC[C@@H]2CC3CCC2CC3)CCCCC1	691764133	XTDGVHRVJWLNCH-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@]23CCC[C@@H]2C3)cc1	693220263	WAVBWOOJEKRDCV-MJEQTWJJSA-N	242.362	4.573	0	10	BJAE	
CCCC[C@H](CC(C)(C)CC(F)F)NCCC	694009898	XLHHETOOXYMOFE-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCCC1(CN[C@H]2CCCC[C@H]2C2CC2)CCC1	696065234	VQWIDBGWFOUTID-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](c1ccc(C)cc1)C(C)(CC)CC	701149218	CSQCYSWREFMDHS-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CCC1CCC([C@@]2(N)CCCC[C@H]2C2CC2)CC1	704472006	BENKFIONWRFTDH-KMZOKZLKSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(N)CCC(C)C	704833760	UAXDCQJCBVDATP-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
Cc1ccc(Cl)cc1O[C@H]1CCCC[C@@H]1C	704911683	BIRYULJUPIDNPS-GWCFXTLKSA-N	238.758	4.606	0	10	BJAE	
CC(C)c1cccc(N[C@H](C(C)C)C2CC2)c1	705332973	COZFWJVUFCOYGA-MRXNPFEDSA-N	231.383	4.657	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@H](C)CC(C)(C)C	708297790	NLRFBBOIDMRZMB-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCCC1(C)C)CC(C)(C)C	709106913	WIXGYJOLHDBXND-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@@H](C)Nc1csc(C)c1	710699567	YJJZVDZOAXFSEV-LLVKDONJSA-N	225.401	4.827	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@H](C)C(C)(C)C	711157415	KTVCWJKVWPDHMI-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(c1ccccc1)[C@H](N)CC(C)(C)C	713143085	UGQXPJOYMRQUFP-OAHLLOKOSA-N	247.426	4.508	0	10	BJAE	
CCC(C)(C)C[C@]1(CNC(C)C)CC[C@H](C)C1	713335172	AVMCVBHSNJKVBN-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC(C)=C(C)C)NCCC	718573786	QLXVMCUAEMLNFZ-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)CCC(C)=C(C)C	718701925	SJAGVTRQPCIRKA-BZUAXINKSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NC[C@@H](C)C(C)C	720941217	VHOILUFQWQJMAJ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](NCCC2CC=CC2)CC1	724179398	LEAMZMAEZRBPLS-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(SCc2ccc(F)cc2C)cc1	1613317323	AFGFZGDZTUJONA-UHFFFAOYSA-N	246.350	4.735	0	10	BJAE	
Cc1ccc(N(C)CC2CCC(C)(C)CC2)cc1	1615384479	ZIBFWXXZAPWSJI-UHFFFAOYSA-N	245.410	4.648	0	10	BJAE	
CCC[C@H](C)CCNCCCC1CCCCC1	1653034333	ADTRFZWRAOBCNM-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCc1ccccc1NCc1csc(C)c1C	1656896769	NQNBPDNXOIVANU-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CC(C)(C)Cc1cc(Cl)c(C(F)F)s1	1892908297	URSQCXDPKGIJBE-UHFFFAOYSA-N	238.730	4.928	0	10	BJAE	
CCCN[C@@H](C)CC=C(C)CCCC(C)C	1900908925	GVRCMZRECPAONF-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC)C[C@]1(O)CCCC(C)(C)C1	1905386849	GFXYLXKWVRKGGV-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCCC1CC(N)(C[C@@H](CC)CCC)C1	1905435187	PKJSZYKLNDOMHN-NFOMZHRRSA-N	225.420	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@@H]1C[C@H]1C(C)(C)C	1910807254	FRINRCYQBCTCKB-FRRDWIJNSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H](C)[C@H](CCC=Cc1ccccc1)NC	1912104262	XTGOQJBXHOSFDU-RDJZCZTQSA-N	245.410	4.504	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H](CC)CCCC	1912130974	ZBMSFMUMGRQRPU-HOTGVXAUSA-N	237.431	4.703	0	10	BJAE	
CCC[C@H](C)[C@@H]1CCCCCCCC[C@@H]1O	1913398743	SETAXNDBKHIMCO-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC(C)(C)C)C=CCC1	1916384892	GKKHDLBKASDBAU-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC(=O)CC[C@H]1CCCC1(F)F	1926173637	CDGZIRPNHSHPST-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cccc(C2(C)CC2)c1	1926393578	QJGOMEFFNSNCCI-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)CCC[C@@H]1CC1(C)C	1940881895	HRVBALZEXKGZFG-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(O)C1CCC(C(C)(C)C)CC1	1941158882	WMPZWKQUTXTNEK-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCCCCCC1CC1	1941581408	KOFGQJPOAZHBDG-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CCCCCC1CC1)C[C@@H]1CCCCN1	1941591402	KULBBBTWYOHUCU-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC1CCC(C(=O)c2sccc2C2CC2)CC1	1942499942	QZXYLKZLXSMJOY-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@H](C)CCC(C)C	1942657693	ODYRHCHXMQPLRU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](NC[C@@]1(C)C=CCCC1)c1cccs1	1943134870	GMHPMNQEZLIWGW-HIFRSBDPSA-N	249.423	4.535	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC[C@H]2C)C1	1944795766	WUQWTGYYIZBKBQ-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)NC1C[C@H]2CCCC[C@@H]2C1	1946260709	WVVSVYCWQMASDZ-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@@H](C)CC(C)(C)C	1947465443	VHMBEJSPDMBAHV-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C[C@@H]1C=CCCC1	1947576944	RJHJUNUJEMEWMN-OAHLLOKOSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H]1CCCC(F)(F)CC1	1948168774	JLNZCVHPDCMAOZ-CHWSQXEVSA-N	247.373	4.513	0	10	BJAE	
CC[C@@](N)(CCC[C@H]1CC1(C)C)C1CCCC1	1949051868	SBXHVQPSGCYTPO-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](N)(CCCC1(C)CC1)C1CCCC1	1949055958	UHROVWXTFZXNFV-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](O)CCCC(C)(C)C)CC1	1950909820	AGBCJKPYLHOSIR-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCC=C[C@@H](C)Cc1ccccc1OCC(C)C	1951308364	FJYJYEBCSWDQJO-OAHLLOKOSA-N	246.394	4.866	0	10	BJAE	
Cc1ccc(NC2C[C@@H]3CCCCC[C@H]3C2)cc1	1968259845	LMFQRRSOLVPAFC-GJZGRUSLSA-N	243.394	4.766	0	10	BJAE	
CC(C)c1ccc(NC[C@@H]2CC[C@H](C)C2)cc1	1968292322	FYBXBCJJLXTYKN-UONOGXRCSA-N	231.383	4.658	0	10	BJAE	
CCC1CCC(N[C@H](CC)c2occc2C)CC1	1968666043	UQHXMPNEIOIVFV-YMAMQOFZSA-N	249.398	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@H]2CCC3(CCC3)C2)C1	1970084927	BRVRKLPNJMPXAG-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)CN1CCCCCCCCC1	1970126128	POOHXAIAAQQGQN-MRXNPFEDSA-N	239.447	4.715	0	10	BJAE	
CCCC[C@H](CC)CNC1(C2CC2)CCCC1	1970871109	AGTVPILHUMAJGX-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CC)CN[C@H]1CC[C@H]1CC(C)C	1971662946	UFSMYOBBRRZXQD-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NC1CC2(CCCCC2)C1)C1CCC1	1972428619	OCFFIHULZSNRFL-INIZCTEOSA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)C1(C)CCC1	1981373171	ZNIKHBVMUICKRY-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
CC(C)(C)C1CC(CC2CC(=C3CC3)C2)C1	1985531329	UVMKZMLTUPEBOL-UHFFFAOYSA-N	218.384	4.949	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCC1(C)C	1987945639	CDDHNSSEFPGKIB-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1cscc1C	1995265241	YKSDAPPZXGUBSS-SMDDNHRTSA-N	239.428	4.663	0	10	BJAE	
CCC/C=C/CN[C@@H]1CCCCC[C@H]1C(C)C	1995875451	SUJRRCXDPOHGLK-JHCSKLMMSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@H]1CCCC(C)(C)C1	2000143866	REDJYOCJPSSVBS-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CC)C(=O)c1ccc(C)cc1F	2000214298	ZAUNMFHNMQQLNJ-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CC[C@H](NC1CC2(CCCCCC2)C1)C(C)C	2000672826	NICSJEPSJOISDP-HNNXBMFYSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)C[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2003020404	OGVWXLDBKJEDOZ-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCC1(C[C@@H]2CCCCCCCC2=O)CCC1	2003069716	BWETVQOJVGXUNX-AWEZNQCLSA-N	236.399	4.886	0	10	BJAE	
CC1(C)CC(C[C@H]2CCCCCCC[C@H]2O)C1	2003112276	SLPNMQXBURDBGJ-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)C[C@H]1CCCC2(CC2)C1	2003196133	AZKPHEKFMLENBJ-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](O)(CC1CCC2(CC1)CC2)C(C)(C)C	2003208877	RCHHFNVINBEWHR-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@]1(C)C=CCCC1	2003324107	HFLWUEKCGNTGPV-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCC1(C)CCC(N)([C@@H]2CCC[C@@H](C)C2)CC1	2004342131	PSDXDMLJCROLJW-WXLSXGNJSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCCCN[C@@H](C)C1(C)CCC1	2004833516	CFXYQAVNVVNHRH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C=CC=CCCC(=O)C1(C)CCCCCCC1	2004937762	UHTDCNNNJJRHAN-UHFFFAOYSA-N	234.383	4.829	0	10	BJAE	
C[C@@H](NCC1(C)CCCCCCC1)C(C)(C)C	2004937803	UYJDSXXGJGFKBK-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H](F)C1CCCCC1	2008755700	YXUVSQRPWWZPAK-LSDHHAIUSA-N	243.410	4.593	0	10	BJAE	
CC=CCCC[C@@H]1CCCCCC[C@H]1NCC	2009618418	BLOWYLCQRCVXLF-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@@H](C[C@H]1CC1(C)C)NCCC	2009626319	DSXWWBURXRCXCV-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)c1cccs1	2010624012	PWKDDDARDAOOHI-SWLSCSKDSA-N	249.423	4.535	0	10	BJAE	
Cc1ccc(Cl)c(NCC[C@]23CCC[C@@H]2C3)c1	2010996278	YETFZLRXXXOVOK-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CCC[C@H](CCCC12CCC(CC1)C2)NCC	2012836138	JPYDXJFBQRNNGZ-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CC[C@@H]1CC(C)C	2013271023	NUVMGWWLJLGJOV-OAGGEKHMSA-N	239.447	4.616	0	10	BJAE	
CCCCC[C@@H](C)Nc1cc(F)c(C)c(F)c1	2013714785	SVWAFNMLHZQNFZ-SNVBAGLBSA-N	241.325	4.654	0	10	BJAE	
CCC(C)(C)CN(C)C1CC(CC(C)(C)C)C1	2014614858	ZMLQKFGESKPQIT-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC(C)C[C@H](C)CC1(N)CC(CC(C)(C)C)C1	2014657554	VNHJLQPCHIGTSX-HLIUYOAVSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CN2CCCCCC[C@H]2C)CCC1	2015584006	BDTHXAVWNZBSRS-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CCCC1(CC2(CNC(C)C)CCC2)CCC1	2015642819	VDNSTHBYCAPPFM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]([C@H](N)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017146493	TWCIAGYRJDGJJN-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)CC2CCCC2)CCC1	2017146774	WLBKKNMRXYHJKC-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCCC1([C@@H](O)CC2CCC(CC)CC2)CC1	2017651352	SGQDMENZXBHOAS-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC)CC[C@H]1CC[C@H](CC)CC1	2017720069	DXYXAJXIBUKLTA-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC(C[C@@H]2CC(=O)C[C@H](C)C2)CC1	2017773638	CXFIJHMLWDIJDO-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC(N(C)CCCC(C)(C)C)C[C@@H](C)C1	2019328804	VNTBDKDVAKRPGI-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CC[C@@]1(C)CCCN([C@@H](C)CCC(C)C)CC1	2019421176	LVRPIHGBNBBTLL-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@@H](CC)CC(C)C	2022675922	OSRFNSPYSAFCFP-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1CCC[C@H]1C	2023324970	OJYPMLLECAREHF-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)C)c1sccc1C1CC1	2023325835	AGAHIACAZZJCQR-AWEZNQCLSA-N	249.423	4.632	0	10	BJAE	
CCCN[C@H]1[C@H](C[C@@H](C)CCC)CCC[C@H]1C	2024001971	WEGDOGJWKMOIHG-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)C[C@@H]1CCCC(C)(C)C1	2024097089	WSWFUXOWAIMHQR-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CC1(C)CC(CC(=O)C(C)(C)F)CC(C)(C)C1	2024101595	LYCBRIDWCIGAOZ-UHFFFAOYSA-N	242.378	4.546	0	10	BJAE	
CCCN[C@H]1CCC(C)(C)C[C@H]1CCC(C)C	2024122565	IPKMQGPDQVMYGW-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CC(C)(C)CC[C@H]1NC	2024125526	UEQYGLXTIZKHNX-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2CCCC3(CC3)C2)CCCCC1	2027313794	JHYMPWGZIJGRQQ-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@H](CCC[C@@H]1CC1(C)C)[C@@H](O)c1ccccc1	2027833661	QSMPVSGLTUTASG-FVQBIDKESA-N	246.394	4.573	0	10	BJAE	
CC(=CC1CCC(C)(C)CC1)C1CCC(N)CC1	2027938171	DIKYYMDOXTWNQL-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)c1c(C)cc(C)cc1C	2028261107	GHNFUAIEPNNRST-WBVHZDCISA-N	247.426	4.684	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)c1cccc(C2CC2)c1	2028551109	CBCLFVYGWKPBFP-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1cccc(C2(C)CC2)c1	2028552043	LSKXVBXBUYDNRT-OAHLLOKOSA-N	245.410	4.564	0	10	BJAE	
CC(C)=C(C)CCNc1ccccc1C1(C)CC1	2032245039	IOYPIEIOYGOPJV-UHFFFAOYSA-N	243.394	4.896	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@H]2CC[C@H](C)C2)cc1	2033399252	AJNNCPYBRFPUMA-XJKSGUPXSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CCC[C@@H](NC23CCC(CC2)C3(C)C)C1	2033411200	BMFYOWQAVMXOGO-XOYHFGRZSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@H](C2C(C)(C)C2(C)C)Nc2ccccc21	2034039267	HWUKZEAGSDXOSC-SMDDNHRTSA-N	243.394	4.657	0	10	BJAE	
CCc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)c1	2034262652	KJVUJYDDLWSSTL-USXIJHARSA-N	243.394	4.630	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2C=CCC2)CCC[C@H](C)C1	2035586036	AHTBKNAYLPPTBI-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)CC(C)(C)C1CC1	2035587442	DOSKQVDGVIKDJF-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C[C@@H]2C=CCCCC2)C1	2037276179	VSKAALZTQRMCEF-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)CN(C1CC1)[C@H]1CCC2(CCCC2)C1	2037684241	YLQAMJPKIBUSOH-HNNXBMFYSA-N	249.442	4.610	0	10	BJAE	
CC(C)c1cccc(CC(=O)CC2CCCC2)c1	2038112650	OSPTYDPRDDAHJL-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC1(C)CCC[C@@H](CN[C@@H]2CCC23CCC3)CC1	2039387024	VOGRWTKJQRTXGG-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C=C1CCC2(CC1)C[C@H]2CN)CC(C)(C)C	2040470655	BLUQPAUDLYJQMA-JENVPCQVSA-N	249.442	4.524	0	10	BJAE	
Cc1cccc([C@@H](N)C[C@H]2CCC=CCCC2)c1	2045304963	KPBOQHVMXZMFOC-RDJZCZTQSA-N	243.394	4.521	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)C[C@H]1CCC=CCCC1	2045315759	XHZKEGQVIWATQU-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C23CCC(CC2)CC3)C1	2045502650	VFXKDQKUMMAIKU-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CC1(C(=O)CC2[C@H]3CCCC[C@H]23)CCCCCC1	2045605617	IFZNUGMJLSOMBM-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1C(C)=CCC[C@H]1C	2045682626	OXHCCSYYEOLDEF-LVQVYYBASA-N	248.410	4.764	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047424378	KMFKCSVLPQREIK-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@@H]1CCC12CCC2	2047937471	YBNJYZZIYHUOKZ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)NC[C@@H]2C=CCCCC2)C1	2049534573	YJYKXFLFTINYRM-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC[C@@]1(CC2CCC3(CC2)CC3)CCCCCN1	2049855336	LSOGZCDVBUXFNS-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2CCC=CCCC2)C=CCCC1	2049992959	RXSHZKSQDZGNFV-DOTOQJQBSA-N	246.394	4.829	0	10	BJAE	
CCNC[C@@]1(CCCC2CCC2)CCCC12CC2	2053367392	VRUSATDWJSQQCX-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCC1CCC([C@@H](N)[C@H]2CCCCC23CC3)CC1	2053416769	VJVSBHMEDFZHQX-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N(C)[C@H]1CCC2(CCCCC2)C1	2055252924	DVJCFYPEYQDBPV-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CC(C)(C)CC[C@@H]2C)CCC1	2055547207	RVGBPCOTJGXYRR-NUEKZKHPSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)[C@H](NCC2(C)CCCCCC2)CCC1	2055551471	YPPJWLVECUYMBC-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
FCc1ccc(N[C@H]2CCC3(CCCC3)C2)cc1	2055667813	QLJCYTAUBAZVML-HNNXBMFYSA-N	247.357	4.681	0	10	BJAE	
O=C1CCCCCC[C@H]1CC1CC(C2CCC2)C1	2056665460	CYFHOYXYCVMOJS-SIWZUTFBSA-N	248.410	4.742	0	10	BJAE	
CC=C(C)[C@@H](NCCC)c1ccc(C2CC2)cc1	2056774211	ATGCFXRRCNWAGN-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@]1(C)C=CCCC1	2056876348	PMWHWKNFQBMATA-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CN[C@@H](C1CCCCCC1)C1(C2CC2)CCCC1	2057603593	IMZJQKOILQMQGL-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C(CCNCC1(C2CC2)CCCC1)CCC1CC1	2057648378	KERJYTKSWTYNKM-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCC[C@@H]1NCC[C@]12CCCCC21CCCCC1	2058475524	MMDQFGIAXDLEQT-DOTOQJQBSA-N	249.442	4.659	0	10	BJAE	
CC=CCCC[C@](C)(O)c1ccc(CCC)cc1	2059223865	TVBUCPZUFYVQMD-KRWDZBQOSA-N	246.394	4.593	0	10	BJAE	
CCc1ccc(Cl)c(C(F)F)c1SC	2060055954	HVBFHXXORVIWSW-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)C1=CCC(C)(C)CC1	2061110823	LSWHZGIPFFGLHH-BBRMVZONSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NC2CC(=C3CC3)C2)CC1	2061223036	SHIPVJFQGRMJHP-XJKSGUPXSA-N	247.426	4.578	0	10	BJAE	
O[C@H](CC1=CCCCC1)CC1CC(=C2CCC2)C1	2061694087	OJZMTJDHBMCWGF-QGZVFWFLSA-N	246.394	4.518	0	10	BJAE	
CC1(C[C@@H](N)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063492038	WHYJTKDWSJHSOI-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063542557	ZRRPBNWMIZOUPT-ARKGTOAJSA-N	248.410	4.598	0	10	BJAE	
CC1(C[C@@H]2C[C@H](N)CC3(CCC3)C2)CCCCC1	2063638575	HAINPELTRLLQTI-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068782372	SZKQUOJKKQYNNI-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](N)C2(CC3CC3)CCC2)CC1	2069516377	ZOGXVEKTILBFRU-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)n1ncc(C2CCCCC2)c1Cl	2070302039	SNEAOIBILRCZSB-SNVBAGLBSA-N	240.778	4.555	0	10	BJAE	
CCC[C@](N)(C[C@@]12CCCC[C@H]1C2)C1CCCC1	2074026068	RVJHCAVLWSPMIW-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@]12CCCC[C@H]1C2	2074031780	AOXBEOHYBWFPNS-BHYGNILZSA-N	249.442	4.515	0	10	BJAE	
C1CCCC([C@H]2CCNC3(CCCCC3)C2)CC1	2074134282	PMTUDHUUOMTPGZ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCCC[C@H](CC)N(C)CCc1ccccc1	2074794948	PRAYPGLCAFPTIZ-KRWDZBQOSA-N	247.426	4.520	0	10	BJAE	
CCC1CCC(N(C)[C@H]2CCCCC23CC3)CC1	2074863089	NXCQSDSIBWURES-GPANFISMSA-N	249.442	4.610	0	10	BJAE	
CN([C@@H]1C=CCCCC1)[C@H]1CCCC2(CCC2)C1	2075403504	MFEJELPWYFRZFN-CVEARBPZSA-N	247.426	4.530	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C12CCCC1CCC2	2077198078	XQJYOCUUDWMYCN-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCC1CC1)[C@H]1C[C@H]1C1CCCCCC1	2079432324	RRSGMFRUOMWMHR-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)[C@H]1C[C@H]1C1CCCCC1	2079484326	HSFPJMDKDPNGAA-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CCC)[C@H]1C=CCCC1	2079630083	VLCMGGGXWFKTSR-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1OC[C@@H]1C[C@@H]1C(C)(C)C	2079810807	CODYZSZFLMSYFB-GJZGRUSLSA-N	246.394	4.700	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@H]2C[C@@H]2C2CCCC2)C1	2079851385	KVRWCWAIMNDYCE-GOEBONIOSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CC[C@H](N)C[C@H]1C[C@@H]1C1CCCCCC1	2081775127	NICFQWVPNINOBG-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)[C@@]2(C)CC=CCC2)C1	2082977823	BOXYSYDWIPAUCP-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2CCCNC23CCC3)C1	2082980246	TZNDLUCMGBKDSX-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)C2CC3(CCC3)C2)C1	2082980617	WRKKJQROZBWPKN-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
CCOc1cc(F)cc(C[C@@H]2C=CCCCC2)c1	2083686245	QCJXILWCWIMEJC-CYBMUJFWSA-N	248.341	4.513	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N(C)CCC2=CCCCC2)C1	2085284530	PDEBJULRVXGNCI-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)c1cccc(CC)c1	2086054942	WZQWKECWKCJTGP-PBHICJAKSA-N	247.426	4.855	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@H](N)CCCCCCC1CC1	2213576604	RWPWAEDJSSJRFY-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C(CCCC1CC1)CCNCCCC1CCC1	2213578953	BMGSFKJIYYYCHV-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)C1CCCCCCC1	2215247618	KCPGFENALGTCEQ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC(=O)C[C@H](C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216748009	SCNRBNMGTLIKSI-QCEMKRCNSA-N	236.399	4.598	0	10	BJAE	
CC1([C@](C)(N)CCCCCCCC2CC2)CC1	2216882733	BYKMNUUPKMQAPC-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC1CC(CN[C@H](C)CC)(C(CC)CC)C1	2217126794	BYKYGNJHDKANDK-VQCLRJIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NCC1(CC(C)(C)C)CC(C)(C)C1	2217130937	QQIRSGJLRBOEPO-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)C1CCCCC1	2217136471	IROFCJCCUXXMLA-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CNC1CCC1)C(C)C	2217140958	KXWHUBHFQLHWKY-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CC1(C)CCCC1)C(C)C	2217145220	NDRHAEWYIHOXGD-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)NCC1(C2CC2)CC2(CCCCCC2)C1	2219243810	KKCXHWWLCUXUFS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(CC)c(NCC[C@H]2C[C@H]2CC)c1	2220923560	JXDLEKRWIMKCKP-CVEARBPZSA-N	245.410	4.660	0	10	BJAE	
CC1(CNC(C)(C)C2CCCC2)CC2(CCC2)C1	2221026746	ZBFWGOXKYWRXES-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222955885	XNSVDKCSGYGOFY-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)C[C@@H](NC)c1ccc2occc2c1	2224127263	HOEZMMOPMYHNEO-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cc(C(F)F)cs1	2244785946	SABULGBUTIPZHO-KCJUWKMLSA-N	247.354	4.512	0	10	BJAE	
CCC[C@H](CN)CC[C@H](C)CCCC(C)C	2244843405	OTQCTEOIQVGZQY-CABCVRRESA-N	227.436	4.604	0	10	BJAE	
CC1CC(C)(C[C@H](O)CC2CCCCCC2)C1	2246445739	WLVJNZXXFQKCMY-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
CC1CC(C)(C[C@@H](N)CCC2CCCCC2)C1	2246454448	OHPKMYAHYQUENV-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
C1=CCC(CCC23CC4CC(CC(C4)C2)C3)C1	2246649418	GTUFJJDBYWYLPX-UHFFFAOYSA-N	230.395	4.949	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCCC[C@H](O)C2)C1	2246663639	GDIBVGQPQKLSBA-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C)CCCC[C@@H]1CCC[C@@H](C)C1	2246723922	BCYXFUKEWHHUDA-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(NC2CC3(CC(C)C3)C2)c(Cl)c1	2246849954	IFALJXRBKDCXAH-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
N[C@@H](C1=CCCCCC1)c1csc(C2CC2)c1	2248057609	VWLBIJRLALPTEB-HNNXBMFYSA-N	247.407	4.516	0	10	BJAE	
CCCCCC(CCCCC)NCC=C(F)F	2248631286	QVHDNGZMERIHTL-UHFFFAOYSA-N	247.373	4.886	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C[C@@H]1CC1(C)C	2248812526	AOPMXQAUCLEZRH-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@@H](C)CC(C)C)NCC	2250352418	LXJJUVDZRWEBEG-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)CNC1(C2CC2)CCCCC1	2250389811	MLTYUPMKHSFNGS-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)c1ccco1	2250467752	VOYGPAKWSWQORY-CYBMUJFWSA-N	236.355	4.705	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](CN)C(C)(C)C	2250469215	MFXCTNZZAJLGIA-CABCVRRESA-N	241.463	4.850	0	10	BJAE	
CC[C@H](C)N(CC)CC[C@H](C)CCCC(C)C	2250516080	FTBOFKLVCBUQLT-CVEARBPZSA-N	241.463	4.959	0	10	BJAE	
CCCCCC[C@H](N)C1CC(CC(C)(C)C)C1	2251535789	ZLFGALNDILQBNU-NRXISQOPSA-N	239.447	4.747	0	10	BJAE	
CCCN(CC[C@H]1CCCCC12CC2)C1CCC1	2253845218	YVZDBCHRHTVKAR-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CCC[C@H](CCC2(N)CC(CC3CC3)C2)C1	2253994405	DVCOCBIDESPTSY-HOBHPSKFSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1NCC1CC2(CCCC2)C1	2254081379	AJSZDMYXUPKSBU-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
CCCC1(C(=O)CC2CC3(CCCC3)C2)CCC1	2254112754	HKYXDRFBGWNJBA-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](CCCC[C@@H]1C[C@H]1C)[C@]1(C)CC=CCC1	2254587771	QXMHYVCCUDMJNJ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)C(=O)c1ccc(CC2CC2)cc1	2259437912	NNOQPKADKHXXTM-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CC(C)([C@H](N)C[C@]23CCCC[C@@H]2CC3)C1	2260577994	JDQUUCRUOPMYFC-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)C[C@]12CCCC[C@H]1CC2	2260648805	TYFRMDMDSUDMAL-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@@]12CCC[C@H]1CC2	2260652014	OWMQGFPUCLYTES-BHYGNILZSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@H]1C=CCCC1	2300675618	GVQYKCLMQNDYTN-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CCCCC[C@H]1C(C)C	2300901489	JTRIBGUEJFLGCH-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
N[C@H](CCC1CCCCCC1)C1CCCCC1	2301178815	CSTMKFYTLDEVNR-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](C)[C@@H](C)CNC(C)(C)C	2301832759	MZGXGLYWRJGHTE-XQLPTFJDSA-N	241.463	4.575	0	10	BJAE	
CCCCC1CC(N(C)[C@H](C)[C@H](C)C(C)C)C1	2301978865	ROMBMZCHJPEZNS-WXLSXGNJSA-N	239.447	4.568	0	10	BJAE	
CCCN[C@H](CC)CCC[C@H]1CCC(C)(C)C1	2302751088	OUAWQAOHEGBNCW-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCCC[C@@H]2C[C@@H]21	2302908959	ZIKDFHRKJGFCPH-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@@H]1CC[C@H]1C(C)(C)C	2303474728	ZTFHZFNLPXEADB-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)c2sccc2C)CC1	2303518329	ACAGYVNHXDESPT-UONOGXRCSA-N	249.423	4.583	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1(CC2CCC2)CC1	2307819057	ICAXYHXDUFZVIS-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1CC2(CCCC2)C1	2307894873	SPMUKNGJFKVVSE-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@]12CCCC[C@H]1CC2	2307898905	NUZBRFVGNNFCRZ-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H](C)C1CCCCC1	2307902278	KJBYBWNPRIWKTF-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H](CC(C)C)C(C)C	2307905775	ZGADMNQSFHHCIG-ARFHVFGLSA-N	241.463	4.848	0	10	BJAE	
CC(C)=CCc1cccc(-c2ccccc2)c1O	2309479520	MZPDCKVWMWYYJK-UHFFFAOYSA-N	238.330	4.568	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H]2C[C@H]2C2CCCC2)CC1	2311539803	PNMUQGFVWDROMF-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)C[C@H]1CCCCC12CC2	2312661576	QVDLFQNXKDCAAE-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC1(NC(CC2CC2)CC2CC2)CCCCCC1	2313599087	WXDYVIFDYSWDBA-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CCC(C)=CC[C@H](O)c1ccccc1C1CCC1	2316504011	SPLMCCHOSUMGBW-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1C[C@H]2C[C@@H]1C2)CCCC(C)C	2316558204	WMAIJJAZUBZRKO-TWMKSMIVSA-N	249.442	4.523	0	10	BJAE	
CC(=CC[C@@H](N)C[C@@H]1CC12CC2)CCCC(C)C	2316578825	JOBSBGIKRMGBQW-HZPDHXFCSA-N	249.442	4.667	0	10	BJAE	
NC[C@H]1CCC2(CCC2)[C@H]1CC1CCCCCC1	2317004304	ZIGWMBDSHQWPNN-CVEARBPZSA-N	249.442	4.502	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](C)[C@H](C)C(C)C)cc1	2317833127	ZOHFGOMGGXINDF-ZIAGYGMSSA-N	246.394	4.750	0	10	BJAE	
N[C@H](CCC1=CCCCC1)CC[C@]12CCC[C@H]1C2	2317972073	GUDLPIIFFFMFBC-BBWFWOEESA-N	247.426	4.565	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1C(=O)CCCC1=CCCCC1	2318501663	BTEYYZOGWPKDMT-JKSUJKDBSA-N	248.410	4.908	0	10	BJAE	
CCCN[C@H](CCCC1=CCCCC1)CC1CC1	2318589484	QRGRWCDEUDCHIZ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC(C)(C)C1)c1ccco1	2319117596	BWGCPXMPEGEGRZ-ZIAGYGMSSA-N	249.398	4.537	0	10	BJAE	
Cc1ccc(C)c([C@H](O)C[C@H]2CCC(C)(C)C2)c1	2319314016	QYCCTUXACOXKPE-GDBMZVCRSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CC[C@H]1C1CC1	2319503182	WMHXKMYTCPALCR-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(NCC[C@@H]2CC[C@H]2C2CC2)CCC1	2319645306	ZJCJFPGWWPXXKB-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1[C@@H](N)C[C@@H]1C=CCCCC1	2320218432	XVABSMSMSPUROZ-FPCVCCKLSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](N[C@@H]2C[C@H](C)CC(C)(C)C2)CC1	2320238343	UDEMKHCAKSAAMZ-APHBMKBZSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2C[C@H]2C2CCC2)CC1	2320418627	CLKJHTBUHLVZPG-CWRNSKLLSA-N	246.394	4.518	0	10	BJAE	
CCc1cc(F)cc(NCCCC[C@H]2C[C@@H]2C)c1	2321074214	KDYDZZIMRNLFQI-JSGCOSHPSA-N	249.373	4.626	0	10	BJAE	
CC1(C)CC[C@H](CCNC2(C3CCC3)CCC2)C1	2321523376	ADILUDMNPUOZNU-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](C)[C@@H](C)NC(C)C)c1	2327792284	ZWKFRUAIHBITRA-LSDHHAIUSA-N	247.426	4.608	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1cccc2ccccc12	21515968	MKIQMUZOJBKAJP-CJNGLKHVSA-N	239.362	4.830	0	10	BJAE	
CC(C)C[C@@H](Nc1ccccc1)c1ccccc1	21517421	SRHATCHNHGCCTE-QGZVFWFLSA-N	239.362	4.886	0	10	BJAE	
CCCc1ccc([C@H](C)NC2CCCCC2)cc1	21788101	KGICDMRTXAQMJA-AWEZNQCLSA-N	245.410	4.622	0	10	BJAE	
CCCCC[C@@H](O)c1ccc(Cl)c(Cl)c1	40260264	CNELHOHMJKBWBR-GFCCVEGCSA-N	247.165	4.607	0	10	BJAE	
CSc1cccc(NC2CCC(C)(C)CC2)c1	79619715	UGFCNAUAFUFLCR-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CCCN[C@@H](c1ccco1)C1CCC(CC)CC1	85080628	CAKXICLMMXXLKC-ZBCRRDGASA-N	249.398	4.537	0	10	BJAE	
CN[C@@H](c1cccc(C)c1C)C1CCCCCC1	87947361	XJXJKQGHIXNQNM-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(CC(C)C)cc1	97467995	RFLHTJNGAIBLJM-QGZVFWFLSA-N	247.426	4.855	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H]1CCCC[C@@H]1CC	111746836	RPZNGHLVJQYOKJ-USXIJHARSA-N	245.410	4.554	0	10	BJAE	
CCC(CC)C[C@]1(N)CCCC(C)(C)CC1	127879576	KASRJGBJEHBLML-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)C[C@@H](O)CCC(C)C	199571722	BXAYKLSHZOOQIQ-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(CC)CCCCCN2)C1	218177121	KQSXGPQXZSZJBX-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](O)C1CCCCCC1	226930219	PVRKHMGKQKODDP-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC[C@H](C)C[C@H]1C	249719487	CQCUVIYWTQSFNJ-SQWLQELKSA-N	245.410	4.876	0	10	BJAE	
CCCCC[C@H](N)[C@@H]1CC[C@H]2CCCC[C@H]2C1	253037051	IOAWWWCDJWDNSD-QXSJWSMHSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)Cc1cc(N)sc1CC(C)(C)C	257578664	LNVBIVWTRWWVTF-UHFFFAOYSA-N	239.428	4.508	0	10	BJAE	
CCCC[C@H](C)[C@H](CCCC(C)C)NCC	300952075	PCZCOOGWBLMRGD-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@H](C)C(C)(C)[C@@H]1CC[C@H](C)CC1=O	304580197	YHZQSYPVMWEOLT-MELADBBJSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](O)CCC2CCCCC2)C1	305898937	YFQPVLCXGVUSRT-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H](CCCC(=O)C(C)(C)C)C1	309454828	PIZVGLCEWXCQDS-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCCC2(C)CCCC2)C1	310120771	DNRPPDMXJHQQCW-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC(CC)(CNC)C[C@@H](C)C1CCCCC1	310358762	SSHFFWCVJXBRLQ-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CCCC1CCC(C)CC1)NCC	310542697	TYTMBIIGEWRXKO-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2cccc(C)c2F)C1	310718258	PDQQCOXLPHECNY-BXUZGUMPSA-N	247.357	4.538	0	10	BJAE	
CCCC1(CN[C@@H]2CCCC23CCCCC3)CC1	313019001	RCMIQYJROMILOE-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(CNC)CCCCCCC1	319796471	NSQVAAODTUHWDJ-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@H](CC)CC1)C1CC1	324519707	KEZNWWBBOLODTO-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CCCNC[C@H](C)[C@@H](C)CCCCCC(C)C	383125404	CESQTEKKRTYTBT-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCCCCN[C@H](C)C1CCCCC1	383295411	RTLFVQGPIYWCQO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H]1CCC[C@H](C)C1	383557733	RMWTUYSQFVZQBG-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1nccc2sccc12	384687013	VYKQMJGPEACJLU-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@@H]1C[C@@H]1CC	387697064	ZRZSWAUZPSIZOB-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](/C=C(/C)CNC(C)(C)C)C1	394533113	ZWQXKHPEFMXKBJ-GHRAKNKNSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1ccc(C)c(C)c1	395118740	IQEYJPQWCKTELH-HNNXBMFYSA-N	234.383	4.553	0	10	BJAE	
Cc1ccc(N)cc1SCCC1=CCCCC1	395310229	GRSLFQYHQBTXRP-UHFFFAOYSA-N	247.407	4.560	0	10	BJAE	
CCc1cc2ccsc2c(CC)c1C(F)F	396224367	MPHCVOCJWBFZSF-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCOc1cc2ccsc2c(C)c1C(F)F	396236335	HELYWHPPSDZPKL-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCC[C@@](O)(CCC1CCCC1)[C@@H]1CC1(C)C	397603056	GNNIRWIOSCSNAT-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CC1=CCCC1)C1CCC(C(C)C)CC1	400471524	QVYJVENWHJOKBR-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
C1=CC[C@@H](COc2cccc3ccccc23)CC1	402320036	KTZLWAJTPFOXPK-CQSZACIVSA-N	238.330	4.575	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@@H](C)C1CCCCC1	696176478	JITKMAWQOSQLKP-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CCCCc1ccc(F)cc1Cl	698102574	BHKNKHAFSKYEPD-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1C)C(C)(CC)CC	701167775	ZOFDOULYQPRHPO-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC(C)NC[C@]1(CCC2=CCCCC2)CC1(C)C	702214998	LOYODZLRYQBSEN-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](C1=CCCCCC1)[C@@H](C)CC(C)(C)C	704733035	FJYFGBZPDBLRLX-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@H]2CCCC[C@@H]2C)CC1	704796206	GEOQJKWCWXKLNI-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@@](N)(CC)C2CCCC2)CC1	704914888	QLEGXBAZHAGRAW-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC(C)(C)C)C(C)(C)CC	708286814	MNQWDLVXLINPCI-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
C[C@@H](CC[C@H](CN)c1ccccc1)CC(C)(C)C	709086864	ZLYYHDHLXNOQFT-GOEBONIOSA-N	247.426	4.581	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@H](C)CC(C)(C)C	709151236	ZSLAKWHLHRZXOB-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CC[C@H](Nc1csc(C)c1)c1cccc(C)c1	710711656	SWEGBNRMUSIYQJ-HNNXBMFYSA-N	245.391	4.928	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1Nc1csc(C)c1	710757517	GNNLLRYATQGBBL-OCCSQVGLSA-N	237.412	4.827	0	10	BJAE	
CCC[C@H](C)CC(=O)C[C@@H](CC)C(C)(C)C	711175733	GJZXSOQHWJHZFT-QWHCGFSZSA-N	226.404	4.844	0	10	BJAE	
CC[C@H](C[C@H](O)c1ccc(C)cc1C)C(C)(C)C	711209909	FLVCBLCYBCXZEZ-ZBFHGGJFSA-N	248.410	4.799	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CC(C)(C)C(C)C	713142212	HSZNTNVGQDYKTE-LSDHHAIUSA-N	241.463	4.848	0	10	BJAE	
C=C/C=C/CCOc1ccc([C@H](C)CC)cc1	713739969	SJJDQWNXFWUGKL-PSKZRQQASA-N	230.351	4.711	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@H]1CCC(C)(C)C	717532916	MPEQBSRFPPTITM-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)c1cc(C)co1	718484782	AHDDNZRFZSKGEE-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C1(CC)CC1	718596297	SRHOMBGSNGLIGB-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C[C@@H](C)CC(C)(C)C	718598931	CPWOYDLXSWFECB-HIFRSBDPSA-N	239.447	4.913	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCC(C)=C(C)C)CC1	718695240	UMWALQWBLWCFFO-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CC(C)=C(C)CCC(=O)CCc1ccc(C)cc1	718738285	DTMGMFFGJJPTSX-UHFFFAOYSA-N	244.378	4.633	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1CC(C)(C)C1)NCC	723566313	FKLADEZNYWYJAV-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)Sc1ncc(-c2ccccc2)o1	1613493877	GRUZXOQBSSFYGH-NSHDSACASA-N	247.363	4.622	0	10	BJAE	
CC(C)COc1ccc(N[C@@H](C)CC(C)C)cc1	1776010571	VEIJEYNWOCUAKG-AWEZNQCLSA-N	249.398	4.568	0	10	BJAE	
CC=CCCCC[C@@H](C)CC(F)(F)F	1885359965	AFNKFBZHUZETJX-SNVBAGLBSA-N	208.267	4.711	0	10	BJAE	
CCC[C@H](CC)CCC[C@H](NCC)C(C)C	1905443371	HPNYIGGPCOGZOM-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC=CC[C@H](CC)c1ccc(C)cc1C	1912095959	RTDXYPNGVFQKBU-AWEZNQCLSA-N	202.341	4.763	0	10	BJAE	
CC(C)CCC[C@@](C)(O)c1ccc(C(C)C)cc1	1920044613	YUDJTMAQMOITTA-QGZVFWFLSA-N	248.410	4.844	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1920196245	HMOZXFKFGMHELP-AALSBFMBSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H](C)NC[C@@H]1C=CCCCC1	1925919957	HYOZONZLSWFTEL-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
O[C@@]1(C[C@@H]2C=CCCCC2)CCC12CCCCC2	1925938665	MHPVORLEOIEADF-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
Clc1ccnc(-c2cccc3sccc23)c1	1938279316	PIWUYLXDXACBIS-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](NC)C1=CCCCCC1	1941271578	FELVHPGAYQACKL-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C(C)(C)CC)C1(C)CC(C)(C)C1	1941984024	PAUMPXKUHBBRAL-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)([C@@H](C)CCC(C)C)C1	1942656713	CIKLOYPLNHFRHB-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3CC[C@H]2C3)cc1Cl	1947122161	DHQHTXDMGNBOCW-TYNCELHUSA-N	249.785	4.639	0	10	BJAE	
CCCCCC[C@@](C)(N)CC[C@@H]1C[C@H]1C1CC1	1949011519	RBEMAYKKUZIZDA-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H]1c2ccccc2NC[C@H]1C	1949112187	QLBUYJHWTFNBPD-DOMZBBRYSA-N	231.383	4.658	0	10	BJAE	
CCN[C@@H](CC)CC[C@H]1CCC2(CCCC2)C1	1949552205	PROHOKBWFBJOCX-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CCC(=O)CC1CCCCC1)C(C)(C)C	1949906296	BTUXLOZAPBSZDM-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](O)CC2CCCC2)CC1	1950912960	CNCMDKNFZZWQDO-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC[C@]1(CNC(C)(C)C)CCCC(C)(C)CC1	1950922069	LEXPPRDXHHMOHX-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1CCCC2(CCCC2)C1	1967854863	DDOMUOWKKBGOJF-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC[C@H](N[C@H]2CCCC3(CCCC3)C2)C1	1967856104	QHTIOCQXADTWCR-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCc1ccccc1NC1CC(CC)(CC)C1	1968359475	BLJBSSQRWPBMNK-UHFFFAOYSA-N	231.383	4.630	0	10	BJAE	
CC1(C)CCC[C@H](CN2CCC23CCCCC3)C1	1969770082	UYXKGHVRTDUVLK-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CCCC2(CCC2)C1	1970858917	FGZXRRPSRPVKAR-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](n2cccc2)CC1	1976403856	YBDGOCJCAHPEFV-ZIAGYGMSSA-N	219.372	4.656	0	10	BJAE	
CCCCCC(=O)CC1CC(C(C)(C)C)C1	1977053959	HDCHEDATBYUBKQ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@](O)(CC)[C@H]1CCCC(C)(C)C1	1978329683	PZJIKUMFMOOHQM-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC[C@H]1CCC[C@@H](CC(=O)c2cccs2)C1	1980688505	WRTXRGNFKZEWFM-NWDGAFQWSA-N	236.380	4.537	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@H](C)CC(C)(C)C	1989859092	UUYQJOFHGGOGQF-IUODEOHRSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)c2cc(C)c(C)s2)CC1	1995701640	GOOHLPUHBIGFEB-DOMZBBRYSA-N	249.423	4.501	0	10	BJAE	
CC(C)=CCCN1CCCCC12CCCCC2	1995813708	TVUMVAKLIMBEAJ-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(O)C2(C)CCCCC2)C1	1995992367	XOTJPQQDJCEHSM-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCSc1ccccc1N[C@@H]1C[C@H](C)[C@H]1C	1996576410	ZHARYWZDWKYWRO-OUCADQQQSA-N	249.423	4.645	0	10	BJAE	
CCN[C@H](C)CC(C)(C)[C@@H]1CCCC(C)(C)C1	2000161043	BZGLTYHLSAAQDC-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@@H]1C[C@@H]1CC	2000504952	MNSMBJMHVTZUQR-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)NC1CC2(CCCCCC2)C1	2000671873	AUSMZUDMEFIMJC-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@]1(O)CCCCC12CCCCC2	2001602922	LBTXAVMTXHPTKM-INIZCTEOSA-N	238.415	4.822	0	10	BJAE	
CC(C)CC[C@]1(O)CCCCC12CCCCC2	2001603090	LLCRNENAINLWAM-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@@H]1CCC12CCC2	2001852723	XGYRFRAPIZWWHN-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1[C@H]2CCCC[C@H]21	2002227984	HXIXHCPTKIDWGD-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@@](C)(N)C(CC)CC)CC1	2002926308	ZZTCBZQHXDLJPP-BCLQGDPASA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(N)C1CCC(CC)CC1	2002927648	ZNGMRTMXTSTKOF-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
C[C@H](N[C@@H]1CCCCCC1(C)C)C1(C)CCC1	2004837968	WATFEZUTGWOIIJ-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CC[C@@H]1NCC1(C)CCCCCCC1	2004936930	HILOTARPIDOJNJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CO)CCCC12CC2	2005572021	LJEBKPRKEPBHEU-HOCLYGCPSA-N	238.415	4.536	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC)C[C@@H]([C@@H](C)CCC)C1	2006621498	BDBOLVFXULESAG-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC1=CCCC[C@H]1N[C@H](C)c1cc(C)sc1C	2007023303	ICAKDQHDTABBLD-IUODEOHRSA-N	249.423	4.514	0	10	BJAE	
CC=CCCC[C@@]1(N)CCCCC[C@@H]1C(C)C	2009566656	GYSGMGVEOMWCEI-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCCCC1CC(O)(CC2(C)CCCCC2)C1	2009714348	OQVATARMADZGKF-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@](O)(C1=CC[C@@H](C(C)C)CC1)C(C)(C)C	2010714583	IOTMQZFMNVCJCX-CZUORRHYSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@H](C)C[C@@H]1C	2013263942	KALNVEHYBZHOGE-CAOSSQGBSA-N	239.447	4.616	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCC1(C)C)C1CCCCC1	2014850130	SRQDVGCFXCSPKY-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H]1CCC1(C)C	2014851404	CSQSUNSUBVQORD-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1C[C@@H]2CC[C@@H]2C1	2015204460	WZCAXLUDBJYUDQ-XQLPTFJDSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@@H](N)C(C(C)C)C(C)C)CCC1	2015589093	OADHEVMXNPBNBV-CQSZACIVSA-N	239.447	4.602	0	10	BJAE	
CCCC1(CC[C@@H](NCC)C(C)(C)C)CCC1	2015647815	KZOSNTCVPIMQAZ-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1(CC(C)C)CC1	2016149251	HOYPAONWKJNOAV-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(O)CCC=C(C)C)C1	2016149605	LBPSHAHTUSDIAP-OWCLPIDISA-N	238.415	4.700	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cc(F)c(C)c(F)c1	2017745206	YOWHXNQSXDWHBK-JTQLQIEISA-N	241.325	4.510	0	10	BJAE	
CCCCC[C@H](CC)NC1C[C@H]2CC[C@H](C1)C2	2018141772	SPJLOFWLATYVPG-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC[C@@H](CC)CC2)CC1	2019000970	OIKYNAALZSSJRB-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)CN(C)C[C@H]1CCC[C@H]1C	2019192324	JKJLXHSBZRUUBQ-OWCLPIDISA-N	239.447	4.571	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@H]1C[C@@H]1C(C)(C)C	2022453779	IXILXMNUXSNLCX-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](CC=C(C)C)C[C@@H](C)C1CCCCC1	2023327814	NNDHPXLPSDJZQX-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)CCCC2CC2)C1	2024092302	QAJBCYHVOMOZBS-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCCC2(C)C)C1	2024096522	VKMPQNRUOANPIC-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H]1CC(C)(C)CC[C@@H]1NC	2024125523	UEQYGLXTIZKHNX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H]1CC[C@@H](C(C)C)C1	2025613332	JGJQEONUHSEDRJ-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@H]1CCC(C)(C)C1	2026148336	WLULOEIAQVQLOW-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@@H]1CCCC[C@H]1C	2026167320	QJQSCWAPPFZVBN-JJXSEGSLSA-N	240.431	4.780	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2[C@@H](C)[C@@H](C)CC[C@H]2C)c1	2027792502	FMJPYLNQFIENFW-QSJFSLAZSA-N	245.410	4.786	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)C(C)(C)C2CC2)cc1	2028101411	NHAFPVCPROPWFR-BLLLJJGKSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)c1cccc(C2CCC2)c1	2028267198	YLPBZZGSJJJEHR-IRXDYDNUSA-N	245.410	4.636	0	10	BJAE	
NC1(CCCC2CCC2)CCC(C2CCC2)CC1	2028484720	KRKIHWHBIAOJSM-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@@H]1CC2CCC1CC2	2028872771	MIUMEUOSAYAXEB-UYSNPLJNSA-N	246.394	4.518	0	10	BJAE	
CC(C)=CCCC(=O)c1ccccc1C1CCC1	2029073498	DXPVCQJQINMIIS-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
CC[C@H](Nc1ccccc1C1(C)CC1)[C@H]1C[C@H]1C	2032246412	QBGHEPKYOUXLLY-IPYPFGDCSA-N	243.394	4.585	0	10	BJAE	
CC(C)c1ccc([C@@H](O)[C@@H]2CCC(C)(C)C2)cc1	2033398872	BXXXNIXMLIEOIN-HZPDHXFCSA-N	246.394	4.670	0	10	BJAE	
C[C@H]1C[C@H](C2C(C)(C)C2(C)C)c2ccccc2N1	2034040518	WWHCNDKKWJBNJD-AAEUAGOBSA-N	243.394	4.657	0	10	BJAE	
CCN[C@H](c1c(C)coc1C)C1CCCCCC1	2035534811	UFYMWEIJJREKHR-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
C1CCCCC(NCC2[C@H]3CCC[C@H]23)CCCC1	2035886472	QLRUMLIDAIZETA-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@@H]1CC12CCCC2	2036107051	PTJYLVOYLVSKMK-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCCC(=O)CC[C@@H]1CCCc2ccccc21	2036504772	DTGWIRFZSCOHID-HNNXBMFYSA-N	244.378	4.646	0	10	BJAE	
CCCC1([C@H](N)c2ccc(C(C)C)cc2)CCC1	2037087517	XKVIWXGAMBOBGI-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C2(C(C)C)CCC2)c1	2037143200	PGFPVMWCFMIEMX-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2CC3(CC3)C2)CC1	2039375951	LZGASFILDZOWPY-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC2(CCC2)C1)[C@H]1CC1(C)C	2043610710	ZTSJSGHQNPYWLE-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCCCN(CC2CCC=CCC2)C1	2045315434	UJFIFEZFIIRTPH-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C1(C(C)C)CCC1	2045719828	WSPSYWCVZNAXAE-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCCN(CC(C)(C)C(C)C)c1ccccc1	2046576579	DFDDEBMCKLKIDK-UHFFFAOYSA-N	247.426	4.975	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@H]1CC12CCCC2	2047015212	HIRIPMVKZNLHFJ-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCCC=CCN[C@H]1CCCCC12CCCCC2	2047589314	HPVNOABSMYMRFD-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CNC[C@]1(CC2(C)CCCCC2)CCC12CCC2	2047935085	GUBGVJXRRUEJEW-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1C[C@@H]1CCCC2(CC2)C1	2049853350	DQBWEQXPCHMTJV-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@H]2CCCC3(CC3)C2)C1	2049862493	WKZRMVGODVAZQJ-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCCOc1cccc2c1CCC2	2050415334	IPGFSZMAYFNIAN-UHFFFAOYSA-N	246.394	4.771	0	10	BJAE	
Cc1ccc([C@H](O)CC[C@H](C)CC(C)(C)C)cc1	2050426079	MNJYARJCGCUUKT-GOEBONIOSA-N	248.410	4.881	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N1CCCC2(CCCC2)CC1	2051604440	LNXMDCOQJCAEDT-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
C[C@H](N(C)[C@@H]1CCC2(CCCC2)C1)C1(C)CCC1	2052333016	YUGSEDWEHROKIL-LSDHHAIUSA-N	249.442	4.610	0	10	BJAE	
CNC[C@]1(CC2CCCCC2)CCCCC12CC2	2053361215	SLTRVCVHNVVSSI-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)CC[C@H](N[C@@H]1C=CCCC1(C)C)C1CC1	2055533992	YFTFHPDJNMAIIL-JKSUJKDBSA-N	249.442	4.536	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2C=CCCC2(C)C)CC1	2055536731	PTUAVZQNHMGAKN-ISXOHVOVSA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC(C)(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1	2056535957	LGPTUPNQSOTRMQ-MJBXVCDLSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCC1)C1(C)CCC(C)(C)CC1	2056552437	LJHXBTTWJMOZAV-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)C[C@H]2CC=CCC2)CC1	2056556389	HSWYWPVSOYZDLC-LSDHHAIUSA-N	249.442	4.667	0	10	BJAE	
CC=CCCC[C@@H](NC)c1ccccc1C1CC1	2059260145	VYNPEBLLSDYECS-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCC[C@H](C3CC3)C2)C1	2059489536	FCHPPSAMABYKPM-CBUUIXETSA-N	249.442	4.514	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](C)NC1CC(=C2CCC2)C1	2061258034	JXLHLAOVDDWRBB-CYBMUJFWSA-N	249.442	4.536	0	10	BJAE	
CCC1([C@H](N)C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063486081	GYWALCPYYBWAHM-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1NCCC1(C1CCCC1)C1CCCC1	2065936944	ZIGBUUISTWDTQT-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(C)c(O)c1C	2065990213	LJPWUXAAJSBYPT-CQSZACIVSA-N	249.398	4.636	0	10	BJAE	
CCCC[C@@H](C=C(C)c1ccc(CN)cc1)CC	2067352962	LRVZVAXQMYHBKE-HNNXBMFYSA-N	245.410	4.765	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)[C@H]1CCC1(C)C	2068235288	DNMILVXLESUEST-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCCCC1CCC(N)(C[C@@]23CCC[C@@H]2C3)CC1	2070969528	AYQPTKUCTVWQJA-GMRIPVOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1(C[C@@]2(N)CCCC[C@@H]2C2CC2)CCC1	2071954779	YESYSNJAPYBBJG-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@H](N)c2c(C)coc2C)CC1	2072794096	QEFCSMOYJVBQAO-NRXISQOPSA-N	249.398	4.503	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CCCC23CC3)CC1	2072806333	KXOLDOMDACAKMB-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(CC(=O)[C@H]2CCC23CCC3)CC1	2072870416	BUKHGMNULRBBQG-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@@]12CCCC[C@@H]1C2	2074031782	AOXBEOHYBWFPNS-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N(C)[C@@H]2C=CCCCCC2)CC1	2074797848	VDMIEWWEMPSMDH-AQFXKWCLSA-N	249.442	4.776	0	10	BJAE	
C[C@H](Nc1ccccc1C1CC1)c1ccccc1	2077262804	YBZSBCADAVHCKD-ZDUSSCGKSA-N	237.346	4.737	0	10	BJAE	
CC(C)(C)c1ccccc1NC[C@H]1C[C@](C)(F)C1	2077733941	TZVUEVUFVQQICU-YGUOUDRMSA-N	249.373	4.534	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1C[C@H]1C1CCC1	2079304342	UDJFANZHNIYJHT-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]2C2CCC2)CC1	2079318684	CSPDTGXKZOWTAJ-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CNc1ccccc1C1(C)CC1	2079650992	NRNFPANGUFRHPB-ZIAGYGMSSA-N	243.394	4.586	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)C[C@@H]1C[C@H]1C1CCCCC1	2079843401	QYTWMDLYESIZBY-YCPHGPKFSA-N	248.410	4.598	0	10	BJAE	
NCC1(CC[C@H]2C[C@@H]2C2CCCCCC2)CCC1	2079868142	YIJVQLUJYZQFOA-JKSUJKDBSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@@H](CC(C)C)c1cc(C)cc(C)c1C	2082917680	AMUYSOUBESGWLK-KRWDZBQOSA-N	247.426	4.699	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2CC23CCCC3)C1	2082985016	FZPXGPHZRDTKDT-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H]2CCC[C@H]1C2	2086213177	YQLCTNOZEZDAEN-QEOTZNIISA-N	249.442	4.514	0	10	BJAE	
CCCCCNCCCCCCCC1CC1	2212465523	ZRZGDRWUKHONMJ-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
CCC[C@@H](O)CCC[C@H]1C[C@H]2CCC[C@@H](C1)C2	2213297492	ARGWTCJPEDYKGY-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
C[C@@](N)(CCCCCCC1CC1)CC1CCC1	2213573677	KLBRAKJXUIAVTJ-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
Cc1csc(C(=O)[C@@H]2CCCCC23CC3)c1C	2213642376	QUWDHRIWELWTRF-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@@H](N)C1CCCCC1	2214767819	PRMRLBPKHMMBIO-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@](C)(N)C1(C)CCCCC1	2215253015	OAQFTNCKDUXOCW-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@H]1CCCCC1(C)C	2215331352	KGBWELCQZBGDCR-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)CC2(C)CCCC2)C1	2215396606	UXIMOESUZCDOFI-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)C[C@@H]1CC[C@H](C)C1	2217144141	ZPZCQXIWSBCHHA-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1NC1C[C@@H]2CC[C@H]2C1	2217280579	JNVZHWANYLSPMP-RYUDHWBXSA-N	249.785	4.503	0	10	BJAE	
CC1(C)CCC[C@H]1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2218019218	SXFZQGUKZGGTMP-KLHDSHLOSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C1(C)CC2(CCC2)C1	2221002669	LATMRSREQPHRSN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)[C@]1(C)CC=C(C)CC1	2221633276	UEPMGFDOBMNGJS-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@H]2[C@H]3CCCC[C@H]32)CC1	2221640093	IVZBBMMNARBEJF-JYYAWHABSA-N	246.394	4.518	0	10	BJAE	
CN([C@@H]1C=CCCC1)[C@@H]1CCC[C@H](C(C)(C)C)C1	2222269074	VBYJCRJFYYARBS-ARFHVFGLSA-N	249.442	4.632	0	10	BJAE	
CN[C@H](CCCCCCCC1CC1)[C@@]12CC[C@@H]1C2	2223133924	BDKWDFMORYYPNJ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@](CNC1CCC1)(CC1CCCCC1)C1CC1	2223544513	CQSJMSDKZRLTFT-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@](C)(O)C2(C)CCC2)C1	2246684911	RLCFWKDRBZOPTL-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H](CCCC(=O)C2CCCC2)C1	2246694400	PSVTVGJTCNRBJP-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCCC(O)(CCC)CC[C@H]1CCC[C@H](C)C1	2246695164	SSSNLXDFBZHOHF-LSDHHAIUSA-N	240.431	4.924	0	10	BJAE	
CC1CC2(C1)CC(CC=Cc1ccccc1)C2	2247070350	LYXVDEZEPVVWJY-UHFFFAOYSA-N	226.363	4.916	0	10	BJAE	
CCCC[C@H](CC)N(C)CCCC[C@H]1C[C@H]1C	2247165384	QVVXHPFJEIXAAC-PMPSAXMXSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H](N)C1(C)CCCCC1	2247174484	GMLPXRUMJODUDY-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC[C@H]1CCCC12CC2	2247620112	COPSZCHIDNUUQK-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)[C@@H]1CC12CCC2	2248283843	RVLDQAGDXJGYEX-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC1CCCCCC1	2248864227	BKFOTVQOSNZUFK-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1C[C@@H]1[C@H](N)CC[C@H](C)CCCC(C)C	2250479169	QSDYSEWJZDRCQT-FXUDXRNXSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCN1CC[C@@H](C)CCCC(C)C	2250520927	XCIGMEAVBZRFHX-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CNCC1(CC[C@H](C)CCCC(C)C)CCC1	2250529077	OVVXBJUENUHOMH-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](O)(CC)c1ccc2ccsc2c1	2253084288	ZJOVAGOITZKWEK-HNNXBMFYSA-N	248.391	4.689	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(CN)CCCC23CC3)C1	2253911766	VIQRIDQNJQUZDP-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CCc1occc1C(=O)CC[C@@H]1CCC[C@H](C)C1	2253939873	WHAUBTCGSUQPDO-STQMWFEESA-N	248.366	4.631	0	10	BJAE	
C1CCCC(NCC[C@H]2CCCC23CC3)CCC1	2255225028	QXILOKWLUMPAAQ-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCC1CC(C[C@@H](N)CC[C@@H]2CCCC23CC3)C1	2255275459	JKMPVVRONRWEMZ-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCCC12CC2)C1(CC)CC1	2255278523	OKWBMEKMCJJBRY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC[C@@H]1CCCC12CC2)C1(C)CCC1	2255280180	ACSVJVGDSNTBPZ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCCC(=O)c1ccccc1	2257313366	VQQKTGPYEGGTQN-HOCLYGCPSA-N	244.378	4.866	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CNCC2(CC2)C1	2259679055	QFSXVNQLHKWORX-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC(C[C@H](N)C[C@]23CCCC[C@H]2CC3)C1	2260615029	YZAANHDPPMVKJW-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
Oc1ccccc1-c1cccc(C2CCCC2)c1	2260663505	MUMCNOLXQDVHDS-UHFFFAOYSA-N	238.330	4.717	0	10	BJAE	
C[C@H](C1CCCCC1)[C@@H](N)C[C@]12CCC[C@@H]1CC2	2260673515	SEGVBSFVMIMILD-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC1CC(C)C1)C[C@H]1C=CCC1	2261487990	BDQDEVAMRYWXCX-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@@H]1NCC1(C)C	2299220755	JJKSTSFSVNJKBK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1(C)CC(C)(C)C1	2300877732	UKQWMTIETQUNDB-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](O)CC2CCCCCC2)C1	2301136685	ZXVDLBDHTYCJGV-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC2CCCCCC2)C1	2301142583	KMVJCXIDQUJUJR-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)CC1CCCCCC1	2301209909	GFBMIKPZZCXNTM-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC(C)=C(C)CCC(=O)C[C@H]1CC[C@H]1C1CC1	2303010704	FUDQYOTVEKQYLR-ZBFHGGJFSA-N	234.383	4.518	0	10	BJAE	
CCC(C)=CCC(=O)c1ccc(C)cc1SC	2303049390	OZZGXOIRKQZDTR-UHFFFAOYSA-N	248.391	4.646	0	10	BJAE	
CCCC[C@H](C)C(=O)CC[C@H]1CC[C@H]1C1CC1	2303155327	BKIQQRZWSVFSDS-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@H]1CC[C@H]1C(C)(C)C	2303474991	IZCLGEIPVWUMCF-CHWSQXEVSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1CC[C@H]1C(C)(C)C	2303475042	JIBXLQHPKGDSFU-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)CC[C@H]1CCC(C)(C)C1	2304425474	MDTCJSPKVPHJCC-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCC[C@@H](CC)C1	2307750805	YYBMWYNBYLHIME-ZNMIVQPWSA-N	238.415	4.988	0	10	BJAE	
CC1(C[C@H](N)[C@H]2C[C@@H]3CCCCCC[C@@H]32)CCC1	2309181939	IYZLPGUITWXWTI-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C[C@@H]2CCC[C@@H]3C[C@H]23)C1	2309962963	DHQJGGVDDHFOOR-OWVAZHOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@](CN)(CC[C@@]23CCC[C@@H]2C3)C1	2310387849	QFAQDCPNZGBSDT-YLFCFFPRSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1C[C@@]12CCCC[C@@H]1C2	2311146290	OSYMOUDQFIFVRU-WCXIOVBPSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)C(CC2CC2)CC2CC2)CCCCC1	2313605804	ZCPRJOKURYPLFA-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCc1cc([C@@H](NC)[C@H](CC)C(C)C)ccc1C	2314711530	KGVMFCWJZSOZNY-IAGOWNOFSA-N	247.426	4.500	0	10	BJAE	
CN(CC1CCCCCC1)[C@@H]1CCCC2(CC2)C1	2316882880	DHDNOTUHZQNIMN-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)CC1(C)CC(C)C1	2317905029	UJUMDOAGLFIGNR-WIHSUSGWSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H](C)[C@](C)(O)CCC=Cc1ccccc1	2317912995	YSLXVZMTXQZUQQ-NVXWUHKLSA-N	246.394	4.523	0	10	BJAE	
CC1(C)CC=C([C@@H](O)CCC2=CCCCC2)CC1	2317969375	MOYZZYCEIPATSW-INIZCTEOSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1CCN(CCCC2=CCCCC2)CC1(C)C	2318594765	JGGOZTQFYIZXOS-OAHLLOKOSA-N	249.442	4.635	0	10	BJAE	
CC1(CCN[C@@H]2CCCC[C@H]3C[C@@H]32)CCCCC1	2319322298	CWTKVJLPCYFOBG-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCC[C@@H]1CC[C@@H]1CC[C@@H]1C1CC1	2319731250	SHGJWCIQQCULML-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@H]2CC[C@H]2C2CC2)C1	2319748590	KKFURXZLQWJRJO-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@]2(O)C=CCCC2(C)C)CC1	2320326167	CRSAMCGZFFXUOF-RDJZCZTQSA-N	248.410	4.620	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)=C(C)C1)[C@H]1C[C@@H]1CC	2320399628	XXXCPCRMPPRBEN-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)C[C@@H]3CCCC[C@@H]32)C1	2321646213	VJIRMBSOYGAWAJ-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](N)c1cccc2ccoc12	2328198748	BCIFXHCQXZNNIC-IUODEOHRSA-N	245.366	4.649	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1coc2ccccc12	2328210828	TUSMVFKLLFAOOY-IUODEOHRSA-N	246.350	4.683	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)c1cc(C)ccc1C	2328212804	KJMLVBXLEFCICJ-RDJZCZTQSA-N	248.410	4.727	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(F)cc1C	20520108	DCWHPLHKBYJLFV-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc(F)c(F)c1	21054263	VDZOHADLRLTHGK-MNOVXSKESA-N	241.325	4.592	0	10	BJAE	
C[C@@H](Nc1cccc(F)c1)c1cccc(Cl)c1	21058373	MNUUJXCXWBXGHS-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2C[C@H](C)CC(C)(C)C2)c1	21813462	FQCMMWOKZNONII-GOEBONIOSA-N	245.410	4.930	0	10	BJAE	
C[C@H](NCCCC1=CCCCC1)c1ccccc1	34395796	XKZZYVJSADHNOZ-HNNXBMFYSA-N	243.394	4.618	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](c1ccccc1)C(C)C	36967201	MSQDIXHURRATCR-WBVHZDCISA-N	247.426	4.942	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc(C(C)(C)C)cc1	37196533	QFDHPYSQVLQFSQ-CYBMUJFWSA-N	233.399	4.975	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2ncc(-c3ccccc3)cc21	49829055	NSQHAVYSBBHLSF-CHWSQXEVSA-N	237.346	4.749	0	10	BJAE	
FC(F)(F)c1ccc(C2CCCCC2)cc1	75841568	OXKKXADVDBJIKL-UHFFFAOYSA-N	228.257	4.753	0	10	BJAE	
CCC[C@H]1NC[C@H](C)c2ccc(C(C)(C)C)cc21	84228723	YISHQLFBQHQRJG-BLLLJJGKSA-N	245.410	4.532	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)C1CCC(CC)CC1	85083056	KKGKFGHUUVBRMP-FXQLRMTLSA-N	239.447	4.617	0	10	BJAE	
FC(F)(F)c1ccc(/C=C\c2ccccc2)cc1	91355959	PTMWTBRUBHYQBO-SREVYHEPSA-N	248.247	4.876	0	10	BJAE	
CCCCCNc1cc(C(F)(F)F)ccc1C	91478223	MJNDBZLJHWFMKM-UHFFFAOYSA-N	245.288	4.616	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CN)c1cccc(C)c1	93125600	XYGWKENIDWPCNR-WBVHZDCISA-N	247.426	4.644	0	10	BJAE	
CC[C@H](C)[C@]1(N)CCCC[C@@H]1C1CCCCC1	93187705	FRMBWYKUMYMGDA-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2CCCCC2(C)C)cc1	94278383	RGGOWGJJFJXZIF-GDBMZVCRSA-N	245.410	4.614	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1ccc(CC(C)C)cc1	94902140	KXRKAEXJEBELMG-RHSMWYFYSA-N	248.410	4.745	0	10	BJAE	
CCCCCC[C@H](C[C@@H](C)CCC)NCC	126015607	NRMCIJRIDRTOCF-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)c1csc(C)c1	129420020	WARKVNCHUUTYQR-GXTWGEPZSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H](C)c2cccc(C)c2)C1	160156065	FNUQGIAVRHKKIW-BFYDXBDKSA-N	245.410	4.614	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)[C@H](C)C(C)C	160990598	CEUVHBBFFQDWMM-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H](C1=CCCCC1)C1CCCCC1	161452191	NJXDYLUZOOKVRQ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1cc2ccccc2s1	162150695	WNNFJVWZLATBBV-DGCLKSJQSA-N	247.407	4.727	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc(C(C)(C)C)s1	164270818	QWZSXAYSMGZUHU-SNVBAGLBSA-N	238.396	4.665	0	10	BJAE	
CCCC[C@@H](NC(C)C)c1cccc(CCC)c1	165940696	BHRGFUGUKHHKPO-QGZVFWFLSA-N	247.426	4.868	0	10	BJAE	
CCC(CC)C[C@]1(O)CCC[C@@H](C(C)C)CC1	167645683	VTHRCBWZSXHFHI-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)c1ccc(C(C)(C)CC)cc1	167652637	RGELGCHIJKQMPK-CZUORRHYSA-N	248.410	4.844	0	10	BJAE	
CCN[C@@H](CCC(C)C)[C@H]1CCCC[C@@H]1CC	225117314	PJQBZIRXYZEEMB-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)(C)C)c1ccccc1C	229441874	UWFLYSVIRKVHCS-XJKSGUPXSA-N	247.426	4.718	0	10	BJAE	
CCC(C)(C)CN[C@H]1CCC[C@H](C(C)C)CC1	233001127	HBTLMBYQOVNKNO-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
O[C@]1(C2=CCCCCCC2)CCC[C@@H](C2CC2)C1	236558836	CPPGMCIKAZFZIE-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCCC[C@H]1O	251411077	XAGGYXCMJJRJIF-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC[C@H](O)c2ccccc2)C1	252216374	ZHKXURJWTYCJOV-HWMZRRJGSA-N	246.394	4.573	0	10	BJAE	
CC(C)c1ccc(Cl)cc1[C@@H](CC#N)C1CC1	260676865	RMFIRVKVRUXCDW-AWEZNQCLSA-N	247.769	4.871	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC[C@H](C)[C@H]2C)cc1C	302266926	GNJLDRKRYWGQFA-DXCKQFNASA-N	245.410	4.794	0	10	BJAE	
CCN[C@H](C)[C@@H](CCC1CCCCC1)C(C)C	302283419	VKACSZQNWUIANL-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](C[C@@H](C)CC(C)C)c1cc(C)cc(C)c1	302317304	JENQHJHAHZEVJU-GUYCJALGSA-N	247.426	4.636	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(N)CCCC(C)(C)CC1	302464861	YWKMZFAHUPOSCO-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)C1(CC(C)C)CCCC1	302574535	PXQHTBDURWMDQV-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@@H](O)CCC2CCCCC2)C1	305898935	YFQPVLCXGVUSRT-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](N[C@H](CC)C1CCCCC1)C1CC1	306073851	XZVYWRFNNSCWLM-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](CC1(C)CCCC1)NC	308072331	SDYPPKLOOCCFDO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1ccc(C)c(C)c1	308100745	DRRZMWMYPQUIFH-AWEZNQCLSA-N	232.367	4.558	0	10	BJAE	
CSCc1cccc(-c2ccc(C)cc2)c1	309278152	FWQCMTXKULUSTF-UHFFFAOYSA-N	228.360	4.525	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](O)(CC2(C)CCCC2)C1	310237209	IKNNQYOGMLBKIV-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@@H](CC2(C)CCCC2)C1	310325182	AIXCUJDZEYEAQY-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](c1cc(C)ccc1C)[C@H](C)CC(C)C	310962785	DYMIITSSEYOUHA-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H]1CC2CCC1CC2	311173486	SFTLVXXLBJEVCU-BHUNQDJPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N[C@H]1CCCC12CCCCC2	313022409	TZEBEQLTYOFHMB-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cccc2ccsc12	319674812	IPCOVYIULZMAKZ-WDEREUQCSA-N	246.375	4.766	0	10	BJAE	
CCCCCC[C@@H](N)CC/C=C\c1ccccc1	324099990	CKGCDYNEMVUVPP-HOFZKYPUSA-N	245.410	4.778	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2ccc(F)cc2C)CC1	328380311	YRYOTTCMBLXVIN-JOCQHMNTSA-N	248.341	4.533	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)C(C)(C)C(C)(C)C	379943123	YFUMUSMOLXRTQT-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC(C)CNCCCC[C@H](C)C1CCCCC1	380037310	QTYNWIIWIUOZQS-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCCCC12CCCC2	380116239	LSYRUYOPDDAVFF-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](O)CCCC(C)(C)C	380118495	MEPUTJQNEVYKIL-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CC2CCC1CC2	381906018	DWBKTCMEERQZLB-QOZQQMKHSA-N	249.785	4.639	0	10	BJAE	
CCCc1ccc(N[C@@H](CCC)C2CC2)cc1	384113201	FCZIFJYDUXEXIR-INIZCTEOSA-N	231.383	4.630	0	10	BJAE	
C[C@@H](C[C@@](C)(O)CCC(C)(C)C)c1ccccc1	384302765	JLFVMRUCCGHVEW-YOEHRIQHSA-N	248.410	4.758	0	10	BJAE	
C[C@H](CC(=O)C1(C)CCCCC1)c1ccccc1	384899578	NDAUCYFOPTURHX-CQSZACIVSA-N	244.378	4.720	0	10	BJAE	
CC1(C)CC[C@@H](CN)[C@@H](CCC2=CCCCC2)C1	384942752	KFDHFYPSNHAWLY-HOTGVXAUSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H](Nc1ccc(C)cc1C)C1CCCC1	387702926	XMYQIRUMGXUYSX-OAHLLOKOSA-N	231.383	4.684	0	10	BJAE	
CCc1ccc(C(F)(F)F)c2sc(F)cc12	396298472	MSVBSXGAUSQIMA-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
C[C@@H]([C@@H](N)c1ccc(C(C)(C)C)cc1)C(C)(C)C	399182083	PAQRNRKRMJOOJM-SWLSCSKDSA-N	247.426	4.666	0	10	BJAE	
CCN[C@@H](CCCC1CC1)CC1CCCCC1	405717872	GWJPFWFKUJQRLG-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(CC[C@@H](N)CC1CCCCC1)C1CC1	405878960	NVSWDBUBYJXDCV-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCNC1CCC(C(C)C)CC1	686306886	RDVMIFXFRLRWRL-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)[C@H](C)C(C)C	688914883	NSEXCVBVSGIXCS-RHSMWYFYSA-N	247.426	4.753	0	10	BJAE	
Cc1cc(F)cc(N[C@@H]2CCCC[C@H]2C2CC2)c1	696108160	YMBJWIXOLAXHKE-JKSUJKDBSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CC(C)(C)CC	696178145	PWKLYAMOHUHYIJ-KGLIPLIRSA-N	227.436	4.747	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)c1cc(C)ccc1C	696676248	ANRBDQLGRBOVFZ-KRWDZBQOSA-N	247.426	4.694	0	10	BJAE	
CC(C)=CCCc1ccc(C(F)(F)F)s1	698009441	OOPHMWXZBKYCJC-UHFFFAOYSA-N	234.286	4.666	0	10	BJAE	
CCC(C)(C)[C@]1(O)CCCC[C@H]1c1ccccc1	700899539	WHAWHOZDTIUZNV-RDJZCZTQSA-N	246.394	4.512	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@H]1CCCC[C@@H]1C	704825125	SRPUVQBSYBHVTQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)C1CCCCC1	704878917	PCIQHTJNGLJDOQ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@](N)(C1CCCC1)C1CCC(C)CC1	704955609	HKNQESULVGRQNR-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccc(N[C@H](C2CCC2)C2CC2)cc1	707877344	KWWRHFYCPXUAEW-QGZVFWFLSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1C[C@H](C)CC(C)(C)C1	708308076	OVDUEBGZTVEAEN-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
Cc1ccc(OC[C@@H](C)CC(C)(C)C)c(C)c1	709106579	FIKZDNBVDVWRGG-ZDUSSCGKSA-N	234.383	4.755	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H](C)CC(C)(C)C)NC	709128949	NIJXGKPVJAHPHQ-ILXRZTDVSA-N	241.463	4.863	0	10	BJAE	
CCC1(CN[C@H](C)[C@@]23CCCC[C@@H]2C3)CCCC1	709156571	VHLCDWLUWOJBSF-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CCC1=CCCCC1	709259378	MEBYEYCYUPPUKR-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
C[C@H](C[C@@](C)(O)CC1CCCCC1)C(C)(C)C	710747174	INGQUXXAWSLZFT-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)c1cccc(C)c1F	718528480	RNNUDOXYSADUIH-HNNXBMFYSA-N	249.373	4.531	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)C1C[C@H]2C[C@@H]2C1	718635675	URYNALWPKATWIW-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCCCC(C)=C(C)C)C1CC1	718655560	YSJOVXFMUYUXSL-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1cc(C)c(C)cc1C	718684863	AXZAFHBYPNPNEK-KRWDZBQOSA-N	246.394	4.782	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CCC[C@H]2C[C@@H]21	720994018	UJXYRHICYGRREW-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC(=O)CC1CCC(C)(C)CC1	829285472	XHXQJKNOBBCRSF-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
Cc1ccc(/C=C\c2c[nH]c3ccccc23)c(C)c1	1081105097	WQBVFAGBCHOBGQ-KTKRTIGZSA-N	247.341	4.955	0	10	BJAE	
C[C@H](CNCC1CCC=CCC1)C1CCCCC1	1561018062	NWMOUXRFEOBYOC-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)N(C)Cc1cccc(C(C)(C)C)c1	1617687880	VMMCERUXTHCWEO-UHFFFAOYSA-N	247.426	4.605	0	10	BJAE	
CCC(CC)c1cc(F)c(C)cc1Cl	1889470166	LEQBZCFRLAWTKV-UHFFFAOYSA-N	214.711	4.691	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccsc1	1890755679	QXAWHGWXJQEUQA-NSHDSACASA-N	211.374	4.519	0	10	BJAE	
CC=CCCCC12CC3CC(CC(C3)C1)C2	1900828069	WLDZWUKBLCXRLA-UHFFFAOYSA-N	218.384	4.949	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1cccc(Cl)c1F	1901708959	LHVRXSPYMDSJOT-VHSXEESVSA-N	243.753	4.572	0	10	BJAE	
Cc1sccc1-c1ccc(C2CCC2)cc1	1901899925	UWISVWUQSBHIAS-UHFFFAOYSA-N	228.360	4.991	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H](CC)CC(C)C	1912134101	CTNYJYCIHIQEGL-CVEARBPZSA-N	237.431	4.559	0	10	BJAE	
O[C@@]1(C2=CCCCCC2)CCC2(CCCCC2)C1	1915863218	KNYWJJAZYONPRM-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@@]1(N)CCC2(CCCC2)C1)C(C)(C)C	1916403431	DVDBDFKIQSRKPI-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C[C@]1(O)CCC2(CCCC2)C1)C(C)(C)C	1916428421	VLRDNBAAFVTJFC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](O)(CC)CCCC	1919522263	HORTXMZBVJWJAF-HUUCEWRRSA-N	228.420	4.924	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C1CC(C(C)C)C1	1921163125	FMOILHBUDZGCKS-KVULBXGLSA-N	246.394	4.526	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N)[C@H](C[C@@H]2C=CCCCC2)C1	1925886245	CCCBAXACMAYZBS-VQHPVUNQSA-N	249.442	4.523	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1C=CCCCC1	1925909704	HMOYOMUPOHPORM-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C)CC(C)(C)C[C@H]1C=CCCCC1	1925947191	YWOSPLDPNFHBSR-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CCC(C)(C)C(C)C)NCC	1939111541	MDUKWIAMSFBCJB-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](F)CNC1CCCCCCCCCCC1	1941241534	RJYFMAOXHOMYHL-CQSZACIVSA-N	243.410	4.607	0	10	BJAE	
CCCN[C@@H]([C@@H](CC)C(C)C)C(C)(CC)CC	1941269263	OCSUPYVUFOFTRL-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1C[C@H]2CCC[C@H]21	1941712903	SVTULQBNAZFPCJ-RBSFLKMASA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)c1csc2ccccc12	1944623433	RBLKNDDARTTYFN-CQSZACIVSA-N	248.391	4.617	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@@H]1CCC(C)(C)C1	1945593380	QFWYERFXEQEKRC-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@H]1CCC(C)(C)C1	1945597264	JWIFBVYKTHEQNP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Clc1ccccc1N[C@@H]1CC[C@H]2CCCC[C@@H]21	1946343111	VUIQBSULTFPPPD-MBNYWOFBSA-N	249.785	4.721	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)[C@@H]1CCC[C@H](CC)C1	1947515281	LJZLCXPSAAPBRJ-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](NCC)C1CC(C)(CC)C1	1948408109	YLEWVNBTGFRFKC-PCKAHOCUSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](C)(N)CC1CCC(C)(C)CC1	1948935089	RXJAFMSZYYRNNX-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CCC[C@](N)(C2=CCCCCCC2)CC1	1948952103	SIOQYROKTCRLAH-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCC(C)(C)[C@@H](NC)C1	1949654701	WHVRLUZSKVTZPE-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)[C@H]1CCCC(C)(C)CC1	1950915316	ZIBUYKDBOMVADL-SOUVJXGZSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)CC(=O)C1CC2(C1)CC(C)(C)C2	1950935550	KEUPVTIWQYJRRO-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC=CC[C@@H](C)c1ccc(OCC)cc1CC	1951308738	MPSJZEFAFKDSIF-CYBMUJFWSA-N	232.367	4.717	0	10	BJAE	
CCC(C)(CC)CN[C@@H](C)CCCC(C)C	1964604398	HSZWFCDDGLCWES-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)CNc1cccc(C2CC2)n1	1968238483	XLYUSTFJHDAIIA-CYBMUJFWSA-N	246.398	4.587	0	10	BJAE	
Cc1ccc(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c(C)c1	1968254570	JLKDVUHZXJBJEG-FOLVSLTJSA-N	245.410	4.788	0	10	BJAE	
CCCC[C@H](NCC)C1(C)CCCCCC1	1978564359	RBTOUGOAYMYCEY-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
C1=CCC(CC2CC(c3ccccc3)C2)C1	1989244569	NNUSKDIJVNQPHG-UHFFFAOYSA-N	212.336	4.537	0	10	BJAE	
CC[C@@H](C)CC(=O)C[C@H]1CC[C@H](CC)CC1	1989836524	GWRWYYBXHVIFLU-MGPQQGTHSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@H](C)CCC	1995262463	NMDZGSAYAJHTHB-RRFJBIMHSA-N	227.436	4.747	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)CCC1CC1	1996359963	HNKFDRZNGFWHBR-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)C1CCC(C)CC1	1996555109	QDVOGCPYACDBPD-UIDBIOKJSA-N	239.447	4.617	0	10	BJAE	
CCCC(N)(CCC)CC1CC(C(C)(C)C)C1	1998237887	ATZAYKQUXDTBLT-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC([C@@](C)(N)CC2(C)CCCCC2)C1	1998652957	YDULFZOWGZFUJL-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H]1CC[C@H]1NC1CCCCCCC1	1998747485	BQLOAMLVKODHKW-GDBMZVCRSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](O)C(C)(C)C(C)(C)C)C1	2000025511	VTTCFXUMABIUKF-OLZOCXBDSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H]2CCC(C)(C)C(=O)C2)C1	2000115122	BOGUYXWLRYPPTR-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCCCC1(O)CCC2(CCCCC2)CC1	2000278960	FDJUPZIVMJMGOH-UHFFFAOYSA-N	238.415	4.822	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@H]1CCCCC1(C)C	2000771504	RJLKJDNPSAEFQZ-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@]1(C)CCCC1(F)F	2002579460	LJPNPKDNOCMJDW-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H](C)CN(C)[C@@H](C)C1CCC(C)(C)CC1	2002961202	ITDUTUFXKWVMEA-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@]1(CNC(C)C)CCCC(C)(C)C1	2002978517	IXZUSHMYXKDRLU-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC1(CC)CC(O)(C[C@@H]2CCC[C@H](C)C2)C1	2009298240	GTYFCHPBLSBLGX-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCC(=O)c1ccc(C(C)C)cc1	2009573242	SVWVFUJLBMAIAQ-UHFFFAOYSA-N	230.351	4.739	0	10	BJAE	
CCCCCCC(=O)CC1CC(=C2CCC2)C1	2011068685	RFDIRVMOSZMXFD-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CC(C)[C@H](C)CN(C)C1CCCCCCCC1	2015333514	CRHNFVJHRUPEKP-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC(C)C(CC[C@@]1(N)CCCC[C@@H]1C)C(C)C	2015347053	MEZXWQHZFLNQIA-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
CNC[C@@H](CCC(C(C)C)C(C)C)CC(C)C	2015347910	SKZFSRRHEIWZPK-HNNXBMFYSA-N	241.463	4.577	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@H](C)C(C)C	2015396639	FRMYQESOYUELNF-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)N(CC(C)C)CC1(CC)CCC1	2015631494	NUOUMFOXQQMZNK-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC(C(C)C)C(C)C	2016120688	XKGLWNAKAXPHJW-MRXNPFEDSA-N	239.447	4.769	0	10	BJAE	
CC(C)=C(F)CN(CCC(C)C)C1CCCC1	2017463996	OGJMEWJCRJGENZ-UHFFFAOYSA-N	241.394	4.541	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C1=CC[C@H](C(C)C)CC1	2017715803	KIBZOTZZFWGBFW-XJKSGUPXSA-N	238.415	4.556	0	10	BJAE	
CCN[C@H](C)[C@H](CC)C[C@H]1CC[C@H](CC)CC1	2017731233	PCIVFCVNCDHIPN-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CCC[C@H](C)NCC)CC1	2017733803	OCARUBKKIMPJGQ-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC[C@@H](N)C2)CC1	2017736448	YCFWEMXISTUYKS-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCCCC(=O)C2)CC1	2017776721	SRRCOKHNPALPMP-KKUMJFAQSA-N	236.399	4.742	0	10	BJAE	
CCC1CCC(N(C)CC(C)(CC)CC)CC1	2019174602	OOVBFNKJTGMWLX-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)CC1CCC(CC)CC1	2022416436	CNOXVNYATUYTDI-WUCCLRPBSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2022417461	MXUOVLBDYBYJQL-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)[C@H](C[C@H]1C[C@H]1CCC)NC	2022490664	UYYQRPODXMYBSW-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1C[C@@H]1C1CCCC1	2022566195	TXHNMNDOWUXTFX-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@](C)(N)C2CCCC2)C1	2024095481	RFRSFWSGXIHYCQ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc([C@H](N)CCC[C@H]2CC2(C)C)c(C)c1	2027832456	LLEQODZNCMMXKT-GOEBONIOSA-N	245.410	4.520	0	10	BJAE	
Cc1ccc([C@@H](N)CCC[C@@H]2CC2(C)C)c(C)c1	2027832460	LLEQODZNCMMXKT-ZBFHGGJFSA-N	245.410	4.520	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)c1cccc(C)c1	2028638199	XUZFOTWXQGFDBC-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NCC1(C2CCCCC2)CC1	2029745161	URBRXTPCUUVOBX-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H](C)[C@H](O)c1ccc(C2CCCC2)cc1	2031747630	WPUQQUJPFFJOEY-DYVFJYSZSA-N	246.394	4.670	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C[C@]2(N)CCC23CCCC3)C1	2031828353	RFYNTFVEYVEFHI-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccc([C@H](N)C(C)(C)C(C)C)cc1	2032347061	TVKHILOVOLAWIP-INIZCTEOSA-N	247.426	4.567	0	10	BJAE	
CC[C@@H]1CCCC(=C2CCNC[C@H]2CC(C)C)C1	2032489655	GLMLKCLTOLUTNO-GDBMZVCRSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCCC[C@H]1C[C@H]1C=CCC1	2035590610	KSMMEGQAGTXDOW-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@H]1C=CCCCC1	2037271469	DPBOHTYHFYTPEX-VVLHAWIVSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@]1([C@@H]2CCC3(CCCC3)C2)CCCN1	2037591186	IHTIPHMRPKOUQQ-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CC1CCC(N(C)[C@@H]2CCC3(CCCC3)C2)CC1	2037681765	IDEGACLACPJCOY-UYSNPLJNSA-N	249.442	4.610	0	10	BJAE	
C[C@@H]1CC[C@H]([C@]2(CNC(C)(C)C)CC=CCC2)C1	2037705337	UTVJQWJVDNZWJS-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(CCNC2CCC3(CCC3)CC2)C1	2038092520	QBIHGFWJCHLLOE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1=CCCCCCC1)c1ccccc1	2038135143	VZPFMYRDCHAKRX-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2039372573	DUVNMBMIHQABIZ-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C(=O)[C@H]2CCC[C@@H](C)CC2)c1C	2039374270	KSHYMHJSRXWOLI-DOMZBBRYSA-N	244.378	4.703	0	10	BJAE	
Cc1cccc(N[C@H](C)C23CCC(CC2)C3)c1F	2039866506	YYFFQELWXDUZDI-VEAWUBTESA-N	247.357	4.515	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@H]1CCCC2(CCC2)C1	2041301011	SYDKLMKSCGKRDG-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)[C@@H]1[C@@H](C)[C@H]1C	2043288478	ABJGVTIAZAJKEG-ABFRBSLYSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@H](O)[C@@H]2CCCC(C)(C)C2)c1C	2045363384	AYXJIFPQMDAKHS-GDBMZVCRSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@@H](C)c1ccccc1	2045979075	NJOHLQNUPBGLOG-NVXWUHKLSA-N	247.426	4.726	0	10	BJAE	
C[C@H]1C[C@@H](CC2(CF)CCC2)c2ccccc2N1	2046908084	IYRIASQYWBTFQS-STQMWFEESA-N	247.357	4.504	0	10	BJAE	
CC[C@](N)(C[C@H]1CC12CCCC2)C1CCCCC1	2047055347	JZZZOSDWWUVDMI-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
CC(C)NC[C@@H]1C[C@@]12CCCCC21CCCCC1	2047559483	HKBCJJGLWKPYIM-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1NC[C@H]1[C@H]2CCCCC[C@H]21	2048448077	GUWQEOZPQGACBH-MUJYYYPQSA-N	243.394	4.542	0	10	BJAE	
N[C@H](CCC1[C@@H]2CCCCC[C@@H]12)CC1CCCC1	2048493636	ODWNRNWFNVTRTR-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC1(C)CCCC1)c1cccc(C)c1	2050439935	DLHHDIRTRQWWAP-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)c1ccc(F)cc1	2050448639	KULJCTNOCBDKCH-INIZCTEOSA-N	248.341	4.530	0	10	BJAE	
C[C@@H]1CC[C@@H](N2CCCC3(CCCCC3)CC2)C1	2051603865	DIGNRWIVBURCEP-HZPDHXFCSA-N	249.442	4.611	0	10	BJAE	
CC1(C(=O)C2[C@@H]3CCCC[C@@H]23)CCCCCCC1	2052505976	UMSHIRTXEPFXTM-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)c2ccccc2C)CCC1	2055538289	AUKOOXJQAOOPGA-NVXWUHKLSA-N	243.394	4.535	0	10	BJAE	
CC1CCC(C)(C(=O)CC2[C@@H]3CCCC[C@@H]23)CC1	2056540359	ZAEKDSXMGBILMO-YXXKGXSTSA-N	248.410	4.598	0	10	BJAE	
CC=CCCCCC[C@H](NCC)c1ccccc1	2059250348	PRXRTYGLKWHEOY-KRWDZBQOSA-N	245.410	4.864	0	10	BJAE	
CC=CCCC[C@H](N)c1cccc(C(C)(C)C)c1	2059256692	RKOFLCRMCBIUPK-INIZCTEOSA-N	245.410	4.730	0	10	BJAE	
CSc1cc(C(F)F)cc(Cl)c1Cl	2060061100	FCKRNHSETZIRGH-UHFFFAOYSA-N	243.105	4.653	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C(C)C)CC1)C1(C)CC1	2061087589	GWCYYYACJDTYIU-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
Cc1cc2ccccc2n1CC[C@]12CCC[C@@H]1C2	2061603640	UXSIOEIIFFSNPQ-WBVHZDCISA-N	239.362	4.530	0	10	BJAE	
CCCCCC[C@@H](C)NCC1CC(=C2CCC2)C1	2061642441	XXIMLWWPBHUQMH-CQSZACIVSA-N	249.442	4.825	0	10	BJAE	
CCc1cccc(OCC2CC(=C3CCC3)C2)c1	2061706469	FTDQJDDBUGWDFU-UHFFFAOYSA-N	242.362	4.518	0	10	BJAE	
Cc1cccc(N[C@H]2CCCCCC23CC3)c1F	2062018295	RHEZWWJMFAOAPU-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC12CCC(CC1)CC2	2065267039	BVCZEWHWZOXXJH-GMRIPVOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CC23CCC(CC2)C3)C1	2065274907	NPNHFMQHXFBEAR-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(OCC23CCC(CC2)CC3)cc1	2065285658	HWCNMQFPLKBOAD-UHFFFAOYSA-N	244.378	4.598	0	10	BJAE	
C[C@@H](CCCCCC1CC1)c1ccc(CN)cc1	2067351168	CBWSYMGJMUTYIN-AWEZNQCLSA-N	245.410	4.609	0	10	BJAE	
C[C@H](Nc1ccc2[nH]ccc2c1)C1(C)CCCC1	2067510179	UZQJFJMQXHWXNM-LBPRGKRZSA-N	242.366	4.549	0	10	BJAE	
CC(C)c1ccc([C@](C)(O)C[C@@H](C)C(C)C)cc1	2068817322	FXILPTQNIAJVBJ-RHSMWYFYSA-N	248.410	4.700	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C[C@H]1CC12CCC2	2069207727	LHBWQSXQRBJUCG-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@@H]2CCCC23CCC3)CC1	2072700749	PLRFLUSNJGIHBN-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C(=O)c1oc2cc(C)ccc2c1C	2072906192	WWPGNIIYDNUXGN-UHFFFAOYSA-N	244.334	4.669	0	10	BJAE	
CCCC1(C[C@@H](NCC)c2c(C)coc2C)CC1	2074650181	BJGULVCDCGWNLY-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
CCCCC[C@H](CC)N(C)Cc1ccccc1C	2074788409	GIVCWSJZPGBNID-KRWDZBQOSA-N	247.426	4.786	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)Cc1cc(C)ccc1C	2074926294	YXZPBUJSZHCIJI-OAHLLOKOSA-N	247.426	4.560	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H]2CCC3(CC3)C2)CC1	2078334769	NOJYEPHPHBGUAJ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@H]1C[C@@H]1C1CCCC1	2079473132	JRKIAGALSSWPQP-CVEARBPZSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](C)c1ccccc1CC	2081210551	YWNJLBXDLFPNAL-WMLDXEAASA-N	247.426	4.521	0	10	BJAE	
CCc1cc(F)ccc1NC[C@H]1CCC[C@H](C)C1	2081946422	HFDHLKORNXSVNT-STQMWFEESA-N	249.373	4.626	0	10	BJAE	
CCCN[C@H]1[C@H](C[C@@H]2C=CCCC2)CCC[C@H]1C	2082832929	SUVKFUOBAGSBOP-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](c1cc(C)cc(C)c1C)C(CC)CC	2082929527	GQCVCXLAWFPTDT-QGZVFWFLSA-N	247.426	4.699	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@@H]2CCC[C@H]2C)c1	2082952300	CBQURFNAUGJXNE-DOMZBBRYSA-N	244.378	4.621	0	10	BJAE	
C1CCCC(CCN[C@H]2C[C@H]3CCC[C@H]2C3)CC1	2086161333	CJOJNPKLKWNQJO-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
C1=C[C@H]2CC[C@H]1C[C@H]2Nc1ccc2ccccc2c1	2087605930	OHULNVGGSBELRB-DHSIGJKJSA-N	249.357	4.606	0	10	BJAE	
CCC[C@@](N)(CC)CCCCCCC1CC1	2210524967	KECFJMCBAZKMMG-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
Cc1sc(C(=O)CCCC(C)C)c(C)c1C	2211704493	KTPAWDIXHNMLOJ-UHFFFAOYSA-N	238.396	4.682	0	10	BJAE	
CCCC(CCC)C(=O)CCCCC(F)F	2212257940	GBNXYSVHGQUJSD-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H](C)CC1CC1	2212648988	FCXRRZXPZGXKPB-JTQLQIEISA-N	237.774	4.503	0	10	BJAE	
CCCC[C@@H](C)[C@H](CCCCC1CC1)NCC	2214576088	AGTGJCXIVGXODW-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@@H](N)CCCCC1CC1	2214585135	TXSCENSJGXQRJM-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2CC[C@H]2C)CC1	2215090460	WJWOKJHSBZBWBE-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC(C)NCc1sccc1C1=CCCCCC1	2215908652	LBZNTAPZXKYKRQ-UHFFFAOYSA-N	249.423	4.594	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](O)(CCC2CCC2)C1	2216253937	WDNJIMVZGXOMRE-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)N(C)[C@H]1CCC[C@H](C(C)(C)C)C1	2216255445	DFQJIWVWGVUKQG-KKUMJFAQSA-N	239.447	4.568	0	10	BJAE	
CC[C@@H](C)NC[C@H](CCC(C)(C)CC)C1CC1	2217152484	FFYLAAQMKMRLOR-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218382550	LORFUQAXNAJTDZ-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCNC1(C2CC2)CCCC1	2218731682	LOZQXKCUWPVLNH-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CN[C@@H](CCCCC1CC1)[C@@H]1CCCC12CCC2	2220030170	JONFBBCETLCOJN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H](CCCCC2CC2)Nc2ccccc21	2220043725	DUFRUKXVFKFVBR-UKRRQHHQSA-N	243.394	4.945	0	10	BJAE	
CCC1CCC(n2ccc3cccc(F)c32)CC1	2220310581	IAZZEBWBRKBXPA-UHFFFAOYSA-N	245.341	4.922	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC1(N)CCC2(CCCC2)CC1	2220879983	QZDRKPJAIIDDNX-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(NCC2(C)CC3(CCC3)C2)cc1F	2221024558	CGRCNPXOTNFTBL-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CC1=CC[C@@H](CN(C)CC2(C)CCCCC2)CC1	2221609185	HGBQBSHBSUFCAZ-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CC2CCC=CCC2)CC1	2221619257	OWUOVXNMXZNDRH-SJORKVTESA-N	247.426	4.587	0	10	BJAE	
CC[C@H](N[C@H]1CC=C(C)CC1)c1cccc(C)c1	2221660577	BMGBGWXPWYSEPX-IRXDYDNUSA-N	243.394	4.535	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@]2(C)C=CCCC2)c(C)c1	2221921290	IMRAAWODKGTQBE-KRWDZBQOSA-N	242.362	4.541	0	10	BJAE	
C(CCCNC[C@H]1CC12CCC2)CCCC1CC1	2223174567	WLHHNGVTJXVZEO-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
CCCCCC(=O)CCCCC[C@H]1C[C@@H]1C	2243885836	PMMFQKHKFIDJHC-KBPBESRZSA-N	224.388	4.742	0	10	BJAE	
CCCNCCCC[C@H](C)CCCC(C)C	2244845340	OHOFSRXXTQYFOZ-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CC(C)C[C@](C)(N)CC[C@@H]1CCCCC12CC2	2246619843	HOJUXKITRVNQLH-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@](C)(CCC)C[C@H]1CCC1(C)C	2247315649	VMDUGDMOIGPPTA-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC1=CCCCC1	2247500976	ZEMYMFYIOBCUAH-CVEARBPZSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC[C@@H]1CCCC12CC2	2247620111	COPSZCHIDNUUQK-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C[C@H]1CCCC12CC2	2247667646	XNTWSLUNZBDIJS-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@H](C)NC(C(C)(C)C)C(C)(C)C	2247722424	OZPCPDDRDOIJPO-LBPRGKRZSA-N	241.463	4.862	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1CCCCC1(F)F	2250371867	NFMVBHSSOWCLFT-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)c1ccoc1	2250467846	WZEVBPXQELWXQV-CYBMUJFWSA-N	236.355	4.705	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNCCC(C)(C)C	2250489616	AGCRGLQMNIQYDV-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
CC[C@@H](C)CNc1cccc(C2CCCC2)c1	2251242238	FIOIYLHLEJRXDQ-CYBMUJFWSA-N	231.383	4.802	0	10	BJAE	
CCCCC[C@@H](N)CC1CC(CC(C)(C)C)C1	2251498767	PPGVKBXJOUAXFV-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CC1CC(C)(C[C@H](N)C[C@H]2CCCCC23CC3)C1	2253806515	HNENZDSCMXDNOT-LVDPKSTMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)C23CCC(CC2)C3)C1	2253936591	SFJQHSDCMPKKOT-FYKOZOLNSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CCCC[C@H]2C[C@H]2C)c1	2254586037	NWRLYAOPBILMLE-HLLBOEOZSA-N	245.410	4.520	0	10	BJAE	
CC(C)c1cc(C=O)cc(C2[C@@H]3CCCC[C@@H]23)c1	2254747553	DIOVHRWCJARSIV-HZPDHXFCSA-N	242.362	4.526	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC12CCC2)C1(CC)CC1	2255027792	WOQMXOMJDCKZDI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
COc1cc2occ(C3CCCCC3)c2cc1F	2256173181	IVUXMNOLXDPTBN-UHFFFAOYSA-N	248.297	4.628	0	10	BJAE	
Cc1cc(C)c(N[C@H](C)[C@@H]2CC23CCC3)c(C)c1	2256450982	GYBDUNIJJJTTTN-CABCVRRESA-N	243.394	4.602	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCN[C@H](C)c1ccccc1	2257338612	HZCDNAOPXBORAL-UXLLHSPISA-N	245.410	4.554	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(C2(C)CC2)cc1	2259471269	KXSZHKUKXXRJRG-AWEZNQCLSA-N	245.410	4.976	0	10	BJAE	
Cc1cccc(NC[C@]23CCCC[C@H]2CC3)c1C	2260578320	KZYHSBPFDNFFPX-DOTOQJQBSA-N	243.394	4.686	0	10	BJAE	
O=C(CCC1CCCC1)C[C@@]12CCCC[C@@H]1CC2	2260579865	UFMUNGRUHZHJTP-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CC(C)(C[C@H](N)C[C@@]12CCCC[C@@H]1CC2)C1CC1	2260583234	NRZHQLNOHBBLEU-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)C[C@@H]2CC=CCC2)C1	2261182476	RRCXBZMDIBDRCC-WLYUNCDWSA-N	248.410	4.764	0	10	BJAE	
CC1CC(CC[C@H](N)C[C@H]2CCCC3(CC3)C2)C1	2261493823	SXQHECOVIVHYCT-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC=C([C@](C)(O)CCCC(C)C)CC1	2300471876	LYUXGVGHYMUTII-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCCc1c(C)[nH]c2c(C)ccc(C(C)C)c12	2300647881	ZGDZDEGOYRBAGY-UHFFFAOYSA-N	229.367	4.861	0	10	BJAE	
C[C@@H]1C[C@]1(C)CNc1cc(C2CC2)ccc1Cl	2300672631	YNKJXFUKLJSYRB-MEBBXXQBSA-N	249.785	4.675	0	10	BJAE	
CC=CC[C@H](NCC)[C@H]1CCC[C@@H](CC)CC1	2300902532	VLWMWIJICZLUKJ-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@](C)(O)C(C)(F)F)CCCC(C)C	2300911480	KIRQEZSSENRTTB-ZDUSSCGKSA-N	248.357	4.555	0	10	BJAE	
CC(=CC[C@H](O)C[C@H]1C[C@H]1C)CCCC(C)C	2300932584	URVRATQZPLSUQT-OAGGEKHMSA-N	238.415	4.556	0	10	BJAE	
CC1([C@@H](N)CC2CCCCCC2)CCCCC1	2301143937	YOKFIEVGEZRVSR-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@@H](C)[C@@](C)(O)CCCCCCC1CC1	2301915641	STJDGKUSZYXSFL-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CC[C@@H](CC(=O)CCC2=CCCCC2)C1	2301927061	WHLCTNNXAMSFKB-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
C[C@H]1CCC[C@H](c2nc(CC3CCC3)cs2)C1	2302263917	ZCMXWPHBIVMMPZ-AAEUAGOBSA-N	249.423	4.779	0	10	BJAE	
C[C@H]1CCCC[C@H]1c1nc(CCC2CC2)cs1	2302266639	DKHSFGQGTPDUNM-SMDDNHRTSA-N	249.423	4.779	0	10	BJAE	
Cc1ccc(CCCC2=CCCCC2)nc1C	2302344297	DHTWYOZOYUZKNU-UHFFFAOYSA-N	229.367	4.522	0	10	BJAE	
C[C@@H]1CCC[C@](O)(C[C@H]2CCC(C)(C)C2)CC1	2302893463	VORROSPFZLGPRF-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1CCC(=O)C1CCCC1	2303506088	NPZSVPISRREZKT-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](CC1CC1)C1CC1	2303666974	AMXKIRHGDAACOK-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2304446308	HHOXVDKEKVRGHL-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(C)(C)C[C@H]1CN	2307825764	FJFCGNHHZJENCR-KKUMJFAQSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@H]1CCC[C@@H]1C(C)C	2307896513	VIKOHMMVWUCVHF-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)CC(N)(CC1CC1)CC1CC1	2307906110	BXVRSSYXFLLZNP-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)[C@H](C)C1CCCC1	2307908548	HMSYBFSMFCITLE-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H](CC)CCC)[C@@H]1C[C@H]1CC	2307909125	JMBOFAXSZNKXGB-JJXSEGSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)C[C@@]12CCCC[C@@H]1C2	2311148575	YHHMZSLLLKBNKE-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCCC1	2313181474	RUQSNRCNMMDRCK-OCVGTWLNSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H]([C@@H](C)CC1CCC1)N2	2313644877	LOICYOFCEMSOJO-XJKSGUPXSA-N	243.394	4.548	0	10	BJAE	
CCC[C@H](CC)[C@@H](NC)c1ccc(C)c(CC)c1	2314647898	GKWBLBFZGGBDRN-WMLDXEAASA-N	247.426	4.644	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CCC2CC1C2	2315883922	SSYJEHAEZPESSN-AVVWSFFYSA-N	243.394	4.719	0	10	BJAE	
Cc1ccc(C(C)C)c2c3c([nH]c12)C(C)(C)CC3	2316176150	NRSICRPVOFSLAO-UHFFFAOYSA-N	241.378	4.824	0	10	BJAE	
CCCc1ccccc1[C@H](N)CCC(CC)CC	2316240246	MHMRTSZUMGOVTD-QGZVFWFLSA-N	247.426	4.855	0	10	BJAE	
CC(=CC[C@@H](N)[C@@H]1CC=CCC1)CCCC(C)C	2316500592	AXQKVJMCCFFYRQ-IAGOWNOFSA-N	249.442	4.833	0	10	BJAE	
CC(=CC[C@]1(N)CC[C@@]2(C)C[C@H]21)CCCC(C)C	2316533326	YCLRUJXMZXLUPQ-IKGGRYGDSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](CC=C(C)CCCC(C)C)C1CC=CC1	2316569107	CBIIAJRDZBJCBY-QGZVFWFLSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1[C@@H](Nc2ccccc2C(C)(C)C)CC1(C)C	2318251601	AGWQYEMFTYXSNQ-DOMZBBRYSA-N	245.410	4.831	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)CCCC1=CCCCC1	2318581102	SIOYGHCMWVLWEL-SLBVQIDZSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)[C@@]2(C)CC=CCC2)CC1	2320326651	GZPUSIZWQXDFAZ-BBWFWOEESA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@@H](CN(C)c2cccc(C)c2)CC1	2320388472	QMLVSMYPZHDIPO-INIZCTEOSA-N	243.394	4.568	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@]1(C)CC1(C)C	2320388805	UHIRPQMDCQZGNB-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@@]2(C)C=CCCC2)CC1	2320389679	CLQUMTQZUVRROD-ZACQAIPSSA-N	247.426	4.587	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2320409996	ZZFMJJARQYGOBR-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
Fc1cccc2ccn([C@@H](CC3CC3)C3CC3)c12	2320696863	NRSKTBCVCYKGKK-HNNXBMFYSA-N	243.325	4.532	0	10	BJAE	
CC(C)CC12CC([C@](C)(N)CC3CCCC3)(C1)C2	2321595209	LMEJUCCINDTNNM-KLAILNCOSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)NC1[C@@H](C)CCC[C@@H]1C	19231953	FTTHFEJRJMZCLK-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@@H](C)Nc1ccccc1C(C)(C)C	36956577	QXESCDVKHAQPCP-CYBMUJFWSA-N	233.399	4.831	0	10	BJAE	
C[C@@H]1CCCC[C@H]1Nc1ccc2sccc2c1	36975845	FISDKIDPEHQHKU-BXUZGUMPSA-N	245.391	4.892	0	10	BJAE	
CC[C@H](N[C@H](C)c1cc2ccccc2o1)C(C)C	37301596	NDFCKNOAVQZHEW-OCCSQVGLSA-N	245.366	4.518	0	10	BJAE	
CC[C@H](C)c1cc(C)cc([C@@H](C)CC)c1N	60068468	MYBXGLCXFBYDST-RYUDHWBXSA-N	219.372	4.604	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@H](C)C(C)C)cc1	70122564	GUUSPWAIFNEYPO-QWHCGFSZSA-N	232.367	4.675	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)C(C)(C)C	71085304	NYPNRXNDHXOARP-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(C)c2cc(C(C)C)c(Cl)nc2c1	71136912	SBAIVFPNFXDIDH-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
CCCCCC[C@H](NCCC)C1CCCC1	82434290	ZVHJQUSVEIXDHD-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCC(CC)[C@@H](C)n1c(C(C)C)c[nH]c1=S	82944976	RZVLTAISURCZGZ-SNVBAGLBSA-N	240.416	4.666	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1c(Cl)cccc1Cl	83847867	FPYFSFHMTPKJDM-DTWKUNHWSA-N	246.181	4.840	0	10	BJAE	
Cc1cc(C)c(NC2C[C@H](C)C[C@@H](C)C2)c(C)c1	84468599	CXGWSXQBEVSCOP-VXGBXAGGSA-N	245.410	4.848	0	10	BJAE	
C[C@@H]1CCC[C@H]1Nc1ccccc1C(C)(C)C	86672741	ZGWZQOJAXAJHJR-TZMCWYRMSA-N	231.383	4.585	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H](C)C2CCCC2)CC1	86909410	RCUBPQOYCUYDCC-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCN[C@@H]1CCC[C@H](C(C)(C)C)CC1	86954252	AQYFYFJRZQHLIQ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CN)CCC[C@H](C)C1	87932389	SEUUIPVXOCVXDL-HRCADAONSA-N	239.447	4.748	0	10	BJAE	
CCCCCC[C@@H]1CCCc2ccccc2C1=O	110462008	MFQWYLGRNYJWJM-OAHLLOKOSA-N	244.378	4.792	0	10	BJAE	
CCc1cccc2ccn(Cc3cccc(C)c3)c12	128436348	FKIQRHYUXMSIKQ-UHFFFAOYSA-N	249.357	4.560	0	10	BJAE	
CC(C)(C)c1cccc(Nc2ccccc2)c1	140403630	FOALAHOQRNZQLZ-UHFFFAOYSA-N	225.335	4.728	0	10	BJAE	
CCC(CC)C[C@@H](O)c1ccc(C(C)C)cc1	148079206	VWKHSJDPZADOKR-MRXNPFEDSA-N	234.383	4.670	0	10	BJAE	
O=C1CCCCC[C@H]1c1cccc2ccsc12	163408554	MCYWKIGLIWUVFD-LBPRGKRZSA-N	244.359	4.518	0	10	BJAE	
CC(C)(C)c1ccccc1C(=O)C1CCCCC1	164032370	SKTHZKLKBHQWAR-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CC(C)CCC[C@H]1CCC[C@@H]1CNC(C)(C)C	166348026	RWXLOFMDDRSNJF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)(C)C)C1CCCC1	167505252	VNBPISMRXMGYKC-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)c1ccccc1C	203414051	SWDHORBXIGREHD-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1C[C@@H](C)CCC1=O	216359516	PYRJCINRTYRCBL-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H](C)CCC)CC1	226529457	BUSHYSOWCFCXGM-KFWWJZLASA-N	225.420	4.514	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@@H]1CCCCC1(C)C	226563746	OODSGFRDHLCEHN-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCc1cccc(C(=O)[C@@H]2CCCCC2(C)C)c1	226793729	OBNZZGPJCBRHHL-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CCCN[C@H](C=C(C)C)[C@H]1CCCCC1(C)C	226859113	SXSDCDOFPVHCJR-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@@H](C)CC[C@H]2C)c(C)c1	226998989	NVIIGYOXJGOGOE-WOSRLPQWSA-N	231.383	4.540	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H](C)C2)CC1	228912418	VTBWBSANNIDPHY-LVQVYYBASA-N	237.431	4.514	0	10	BJAE	
CCc1cccc(N[C@H]2CCC23CCCCC3)c1	230162359	KQEGUKKVENCLBP-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CCCCC[C@]1(O)CCC[C@@H](CC(C)C)C1	230784855	XILWMFPSLLUUCE-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@@H]1CNc2c(Cl)cc(Cl)cc21	232623213	FQJUCZMMTQRPNJ-MRVPVSSYSA-N	244.165	4.549	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H]2CCc3ccccc3N2)C1	251635036	FQOBALRKVFZQRT-FRFSOERESA-N	243.394	4.630	0	10	BJAE	
CCCC[C@H](NC(C)C)[C@@H]1CCCC[C@H]1CC	252591041	DGPXQGAPKOWRMJ-OAGGEKHMSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	253194095	PNDKKSRNZXESAS-LJISPDSOSA-N	238.415	4.844	0	10	BJAE	
CCC1([C@H](N)CCCC(C)(C)C)CCCC1	300881661	OPEAHXSKLCFTMF-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](C)[C@H](NCCC)c1cccs1	300978157	TUJNBKQSOUWTKA-OCCSQVGLSA-N	239.428	4.615	0	10	BJAE	
CC[C@@](C)(CCC1CCCCC1)CNC1CC1	302262640	OXTDODXXIJEAFO-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(O)CCC1CCCC1	302275273	SFYKOHHYHISCQO-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@](C)(O)c1ccccc1C1CCC1	302498626	KRJAYQBJDYVXCH-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)CCC1CCCCC1	304132685	ZRNQEYINZSDZNI-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H]1CCCCC1(C)C	304162550	ICCYYIQCLXTTAG-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CC(n2ccc3ccc(F)cc32)C[C@H](C)C1	305669982	AVRUJQQMWVEIKU-VXGBXAGGSA-N	245.341	4.778	0	10	BJAE	
CCc1cc(NC2CCC(C)CC2)ccc1C	306001382	KYVTZDJPAAMWLE-UHFFFAOYSA-N	231.383	4.548	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CCC[C@@H](C)C1)C(C)C	310471884	BOGAKWPIRRSMCW-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
Cc1cc2ccccc2n1C[C@H]1CCC[C@@H](C)C1	310811471	ZSJNZHLDKBMLPE-HIFRSBDPSA-N	241.378	4.776	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C(C)(C)C1CCC1	322325131	RMKREMISKZOWHP-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
Cc1cn(CC2CCC(C)(C)CC2)c(C)c1C	382455715	UKJCNZMVJPLPDT-UHFFFAOYSA-N	233.399	4.630	0	10	BJAE	
Cc1ccc(N[C@@H]2C=CCCCCC2)cc1C	383231354	RCSKAMOTFXNIHS-OAHLLOKOSA-N	229.367	4.604	0	10	BJAE	
CC1(C)CCC(CN)(CC2(C)CCCC2)CC1	383806282	UMYZHMIEDLLDDR-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCCC[C@H]1C)c1ccccc1	385068908	VOIFDUPPANPNPL-FMKPAKJESA-N	244.378	4.576	0	10	BJAE	
C[C@@H]1CCC[C@H]1Nc1cccc2ccsc12	386217477	IYTRERYOANWWOO-ZYHUDNBSSA-N	231.364	4.502	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1F)C1CCCC1	387570772	JBSGFMICSPBJRB-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCCC23CCC3)CC1	394858139	JKDPYFAGLJQQQS-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
COc1cc(C(F)F)cc2c(Cl)csc12	396292112	UBRDXUXHMPUWBK-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1c(F)cc(C(F)(F)F)c2ccsc12	396295314	IWEGXEDHWZFPPP-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
C1CCCC(NC[C@@H]2CC3CCC2CC3)CCC1	400007769	BSNTXWPQDAHGPC-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1csc(-c2cccc(C)c2C)n1	405184904	MJKZAKFFPXXCIH-SNVBAGLBSA-N	245.391	4.940	0	10	BJAE	
Cc1cccc(C(=O)CCC(C)(C)C2CC2)c1F	405855751	ZTVKXGGNWSWJGM-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCC(C)(C)CCN[C@H]1C[C@H](C)CC(C)(C)C1	686307383	YKILFVXTYSKIQR-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)CC(C)(C)c1ccccc1)C(C)(C)C	686738134	QOTRGDGUDLDOIL-CYBMUJFWSA-N	246.394	4.606	0	10	BJAE	
CCCC1(CNC(CC)(CC)CC)CCC1	687526617	PZXVYRSVBNDAPQ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCCCc1ccc(-c2cccc(C)c2N)cc1	690319028	DRVJIHHQVBLFDT-UHFFFAOYSA-N	239.362	4.587	0	10	BJAE	
O=C(CC1CC=CC1)c1cc2sccc2s1	692086981	IOOXYSHPMVEYJK-UHFFFAOYSA-N	248.372	4.502	0	10	BJAE	
CC(C)c1ccc(CCC2CC=CC2)cc1	692108364	SFYFEYQQEWMPKJ-UHFFFAOYSA-N	214.352	4.709	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](C)CCC(C)(C)C	695062873	RZYYMZDZOXGSFQ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC1(C)CCCCCC1	695105397	HIRXOBVUCBCQMJ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)CN[C@H]1CCCC(C)(C)CC1	697577948	BBPIJQHXAPJNSD-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(N)(C/C(C)=C/Cl)CC1	700765707	NHZVKTQTCJKTGZ-VAWYXSNFSA-N	243.822	4.597	0	10	BJAE	
CC1(C[C@](C)(N)[C@@H]2CC3CCC2CC3)CCCC1	704506497	GKVAVSPTMZFCAX-BOXZVXIZSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc([C@@H](O)[C@@H](C)CC(C)(C)C)cc1	704687224	VSSRJTWZONQORB-BBRMVZONSA-N	248.410	4.745	0	10	BJAE	
CCN[C@H]([C@@H](C)CC(C)(C)C)C(C)(CC)CC	708299554	ZFDSQSVIIXTRGX-UONOGXRCSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H](C)CC(C)C	709079991	NNMNQUBWRFGBCA-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
C[C@H](CNCC1(C)CCCCC1)CC(C)(C)C	709121499	FTKQZSNHXGWJLG-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](O)C[C@H](C)C(C)(C)C)CC1	710769545	IGZNUOGMLPANLI-ZQDZILKHSA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@H](N)C[C@@H](C)C(C)(C)C)CC(C)(C)C	711106417	GJZIKLUKQRVXDN-MCIONIFRSA-N	241.463	4.848	0	10	BJAE	
CCC(C)(C)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1N	713159686	LGSAITFCBMPCID-MGPQQGTHSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@H]2CCCC[C@H]21	714277490	UHSFVPXKBBWSRY-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CC[C@H]2CCCC[C@@H]21	714303480	KGSMTYMIMORNQP-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CC1CCC(C[C@@H]2CCC(C)(C)CC2=O)CC1	717536090	VWNJKARYNFVZQY-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H]1CCCCCC1(C)C	719220919	LUAPTBRFSKNGBO-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1CCCC1(C)C	719290669	IXZVSTDRHNHGKP-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)c1cc2cccc(F)c2nc1Cl	722210266	SVAPJJRSMPYCQE-MRVPVSSYSA-N	237.705	4.541	0	10	BJAE	
Cc1cc(-c2ccc(Cl)c(F)c2)cs1	722410180	UCEHYLPPLQVSHE-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
CC(C)CCN[C@H]1C[C@@H](C(C)C)c2ccccc21	1207110281	FELOCQWLAPJUCF-IRXDYDNUSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1CCCC[C@H]1COc1ccccc1Cl	1559326325	ATLCYXDUKFUEMH-RYUDHWBXSA-N	238.758	4.545	0	10	BJAE	
C1=C[C@@H]2C[C@H]1C[C@@H]2CSCC1CCCCC1	1651781194	WDKOKMGSDXVCCG-RRFJBIMHSA-N	236.424	4.512	0	10	BJAE	
CCC[C@@](O)(CCC(CC)CC)C(C)(C)C	1900692513	DWGRYBUBMQHXKG-OAHLLOKOSA-N	228.420	4.780	0	10	BJAE	
CC(=CCCC(C)(C)CO)CCCC(C)C	1900866981	QCHKJUVHRAZWAH-UHFFFAOYSA-N	226.404	4.558	0	10	BJAE	
CCC(C)=CCC(=O)C1CCC(C)(C)CC1	1900891773	CIEGGDQNDJDHLG-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)C[C@@H](C)C(C)(C)C	1905446131	SYIZWOKPSVFFRC-RDBSUJKOSA-N	228.420	4.636	0	10	BJAE	
C[C@@H](CC1CCC1)NC(C)(C)C1CCCCC1	1905573339	PLQAJMBMICZKEY-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)CCCCCC1CC1	1910660285	CHOWREXAZBSKEO-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(=CCl)CNc1ccc2c(c1)CCCCC2	1911990838	XNNDCCZVHJCEKO-UHFFFAOYSA-N	249.785	4.510	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C2CC3(CCCCC3)C2)C1	1912641073	PZBUPMCXGZMBQF-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H]1CCCCCCCC[C@@H]1O	1913394121	ZVYORJXYVNAXCU-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H]1CCC2(CCCC2)C1	1916435626	OWJYFUKRKFEARF-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC(C)(CN[C@@H]2CCC3(CCCC3)C2)C1	1916444507	IPIWURWNGOUNIK-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CNC[C@@]1(CCCCCC(C)C)C=CCCC1	1916566788	WULOSUQBYOTPTF-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
Cc1ccc([C@@](C)(N)C[C@@H](C)CC(C)C)c(C)c1	1920438039	LRBKHYRQMDLHRF-YOEHRIQHSA-N	247.426	4.550	0	10	BJAE	
CCCC1CC([C@H](N)CC2(C)CCCCC2)C1	1921289921	NMRZXUQZAZOPDF-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCCC1CC([C@H](CCC=C(C)C)NCC)C1	1921302199	NAYAFLUYTUGSQM-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CSCc1cccc(C[C@H]2C=CCCCC2)c1	1925822750	APSNEIVVLBNVDZ-AWEZNQCLSA-N	246.419	4.839	0	10	BJAE	
CC1(C)C[C@@H]1CCCOc1ccc(Cl)cc1	1935936974	MTSYXLFQXWDTMF-NSHDSACASA-N	238.758	4.545	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCC)c1cscc1C	1938843877	SZWHVHDXOJTLGW-BXUZGUMPSA-N	239.428	4.533	0	10	BJAE	
C[C@@H](CC(=O)CC[C@H]1CC1(C)C)CC(C)(C)C	1940854652	ZKXAFDKLHDWRGJ-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@](C)(O)CC1CCCC1	1940881346	DTDJZYVIUOPRMB-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CCC[C@H]1CC1(C)C	1940884724	ZMEGGBUDABBAGV-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(O)CCCCCC1CC1	1941579561	PKDVZHQJADRFNY-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H]([C@H](C)CC)C(C)(C)C1CCCCC1	1944632204	QNIHDSQBPYXRDI-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)CCCCCC1CC1	1947516890	WVBIVPMDJKWQQC-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCC1)C(C)(CC)CC	1947583495	ZPBUIVAFSUGRGZ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C[C@H]1CCC[C@@H](CC)C1)NCC	1948426881	YAEULELHHUYXTK-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@H](N)CCCC(C)(C)C)C1	1948980130	HZZUYNKZUPFDFI-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CCC[C@]1(N)CCC1=CCCCC1	1949051540	OXQKZNRNZJNOIY-HOTGVXAUSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@@H]1CCC(C)(C)C1	1949550515	DMYPTOZPWLFUQU-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC(C)=C(C)C)C(C)(C)C	1949832892	GPGHKTDHNHLUPY-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
C[C@H]1CCC[C@@](CO)(CC2(C)CCCC2)CC1	1950907702	GXQQOMQWARCTMO-HOCLYGCPSA-N	238.415	4.536	0	10	BJAE	
CC1(C)CCC[C@H](NC2CC3(CCCC3)C2)CC1	1967703346	PLMNFNBXDKWXIR-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1CCCCC12CCC2	1967797822	PKSMQLYRTKPEHT-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
C[C@H](CC1CCC1)N[C@H]1CCCC2(CCCC2)C1	1967855214	HUCZZYDIYCFEDO-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
Cc1cccc(C)c1NCC[C@H]1CCC[C@@H](C)C1	1968351737	MRWWQSQEPXWAJN-CZUORRHYSA-N	245.410	4.932	0	10	BJAE	
CC(C)Sc1ccccc1NCCC1(C)CC1	1970341892	HCVLYDLJZFYDTG-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CCCC[C@H](CC)N[C@H](CCC(C)C)C1CC1	1970829443	PRMLWSMBMADEBT-JKSUJKDBSA-N	239.447	4.760	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)[C@]23CCCC[C@@H]2C3)C1	1973100884	WKGHGUIGKAOQPU-CKEIUWERSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1CCCC(C)(C)C1	1978369043	KIAAZHCJNCITPE-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@](C)(CNCCC)C[C@H](C)CC	1978664983	TWJKFUWLYPFMMH-HUUCEWRRSA-N	227.436	4.619	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CC[C@H](C)CC1	1980314146	KHCCDRRPYULQNP-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
C[C@H](CC[C@H](O)c1cccs1)CC(C)(C)C	1980700300	WPOZRRDMCSKYCV-NEPJUHHUSA-N	240.412	4.634	0	10	BJAE	
C/C=C/CCCc1cc2cccc(C)c2o1	1984604671	AQEGFDDVGWASJX-ONEGZZNKSA-N	214.308	4.640	0	10	BJAE	
FC1(F)CCC[C@@H]1CCC1CC(=C2CC2)C1	1985530066	BULQNTWKKYSEPF-CYBMUJFWSA-N	226.310	4.702	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccccc1C	1986949372	XLYXAKANXXGDTG-AWEZNQCLSA-N	219.372	4.622	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1(CC)CCC1	1988433621	UXBQBGASVBKTDL-CQSZACIVSA-N	226.404	4.678	0	10	BJAE	
CC(C)=C(C)C[C@H]1CCC(C)(C)CCC1=O	1989652511	XDEIIULRYGPUDC-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@H](CC)NCC1(C)CCCC1	1990093325	JTLAHVQRKGWGGK-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CC(CC)CC	1995254043	NGVWBQNVHSWOHM-HIFRSBDPSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1cscc1F	1995258556	FPJJCKHORMMZMH-GWCFXTLKSA-N	244.375	4.527	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)C(C)(CC)CC	1995261156	BJVIDYNRCICIIE-ZIAGYGMSSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1ccc(C)s1	1995263896	SSSDZPGJKMDLND-DGCLKSJQSA-N	239.428	4.663	0	10	BJAE	
CCC1(c2nc(C3CCCCC3)cs2)CC1	1995496544	NJFHCVKPFQURLH-UHFFFAOYSA-N	235.396	4.632	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1CC[C@@H](C)C1)C(C)C	1996261394	VUFUMWPUALKURA-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(C1CCC(C)(C)CC1)[C@@H](C)C(C)C	1996584448	ACKMWNVONJKKCC-XJKSGUPXSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](CCC[C@@H]1CCC=CCCC1)C(C)C	1999991906	DJRCQKDZENRVHE-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](NC)C1(C)CCCCCC1	2000337102	YMYHZQGEDMPRPF-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@](C)(CCC)C[C@H]1C=CCCC1	2000511557	CTXCYGMPTGUGHW-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@@H]1CCCC(C)C	2003116257	HTGMTKDXZTTWLJ-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
C[C@@]1(C(=O)CCC2CCCCC2)C=CCCC1	2003322943	DADWJUXKWYUXNL-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
O=C(CC[C@H]1C=CCCC1)c1cccc(Cl)c1	2003671489	OVROASAPUQCVRC-LBPRGKRZSA-N	248.753	4.659	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1(C2CCC2)CC1	2004534585	KGQKEFJGMSBTMH-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CNCC[C@H]1CC=CCC1	2004720569	ZQVROUKHCGZSSR-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCNC[C@@]1(C[C@H](C)CC)CCCCC1(C)C	2005584913	APGOQKAGRIETJQ-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)CC1CC(CC)C1	2007812265	KSQZTPHNGWIYEC-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C(C)(CC)CC)[C@@H]1CC	2009250474	XHKUYAJKGJVXBT-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@]1(N)CCCCC[C@@H]1C(C)C	2009566654	GYSGMGVEOMWCEI-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@H](O)c1csc2ccccc12	2009593934	PNRSNSUCMPKRFU-HSWBROFVSA-N	246.375	4.681	0	10	BJAE	
C[C@@H](N[C@H]1CCCCCC12CC2)c1cccs1	2011272230	PXEYLTWTAFOYSY-OCCSQVGLSA-N	249.423	4.512	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(N)CCCCCC12CC2	2011273525	BXZRIRJQQFSRDG-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@](CC)(CCC1(C)CC1)C(C)C	2012412516	OVZLHADWFUCLPY-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)C[C@](CC)(CNC(C)(C)C)C(C)C	2012439835	KPQKDSZCVMFQEI-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CCCC1CCC1	2013307350	VKSNQLHXFUTURN-INIZCTEOSA-N	239.447	4.713	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](CC2(C)CCCCC2)N1	2013531474	TWEDLLORRRCTSO-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@H](NCC)C1(CC(C)C)CC1	2015750483	UVLXHNRMKGFAOE-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)CC(=O)C1(CC2CCC2)CC1	2015789404	UDCOMBDDPNUGAQ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CC[C@@H]1C1CCC1	2017030677	ASIGDVINSICWTJ-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CN(CC)CC1(C(C)(C)C)CCC1	2017124919	IVMBKVIZCRKOCW-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCCN[C@@H](CCC)CCC1(C(C)C)CCC1	2017146297	RFEKYYLOFUJCLW-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCNC[C@@]1(CC(C)=C(C)C)CC[C@@H](CC)C1	2017466957	RCROCNPUAONVMO-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CCC[C@@H](CNCC(C)=C(C)C)CC1	2017469655	UGOXHTLQUIWXKQ-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CCC[C@](C)(NC2CCCCCC2)C1	2017625721	ZLAOZDPVQYEMAJ-INIZCTEOSA-N	237.431	4.658	0	10	BJAE	
CCCC1CCC(C[C@@H](O)[C@@H](C)C(C)C)CC1	2017650095	CUCHZTNBWNISQT-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC[C@H]1CC[C@H](CC)CC1)C(C)C	2017728690	OFBPKTCUIDOCBW-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)C[C@H]1CC[C@H](CC)CC1	2017774350	NLWYNGCIDSVQIA-KLHDSHLOSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCCC[C@H]1C	2018137983	BBDBUKCMSOBCPW-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@H](CC)NC[C@]12CCCC[C@@H]1C2	2018138359	GDKMUVXAAGFPOQ-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CCN(C)C[C@@H]1CCC[C@@H](C)C1	2019162762	FEQLFLHDOLVHCC-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
Cc1cc([C@](C)(N)CCC2=CCCCC2)cs1	2019846689	OVMMZQAGWBELTG-OAHLLOKOSA-N	249.423	4.511	0	10	BJAE	
CCCC[C@H](CC)CC[C@@]1(C)CNC(C)(C)C1	2022142987	YPQNBDPAUDRWBW-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@H]1C[C@@H]1CCC	2022503416	XXIWNFQFELYTIG-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCCN(CCCCC(C)(F)F)[C@@H](C)CC	2023437123	KJJGPTGBYXBLOS-ZDUSSCGKSA-N	249.389	4.713	0	10	BJAE	
Cc1cc(C)c2[nH]c([C@@H]3CCC3(C)C)cc2c1	2024286670	MNGOPZZHZWCEIB-ZDUSSCGKSA-N	227.351	4.688	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@@H]1CCC(C)(C)C	2024511302	SXHSPMRQZVKHLG-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C1C(C)(C)C1(C)C	2026079430	AGICYBLMMOZERK-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1cccc(C)c1	2026140782	DGVDZQZVBQWTHV-CJNGLKHVSA-N	234.383	4.635	0	10	BJAE	
CN(CC1(C)CCCC1)[C@@H]1CCC12CCCCC2	2027297976	VRTGIWSCYHCDIP-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1cc2ccccc2o1	2028241755	URTMGAMOHUKSJB-XJKSGUPXSA-N	246.350	4.539	0	10	BJAE	
CCCC1(C(=O)c2ccc(C3(C)CC3)cc2)CC1	2028589768	CUCASJOLTIIIKF-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CC(C)C1(CNC2CC3(CCCCC3)C2)CCC1	2028877702	MAALOMZIQIYSNV-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)c1ccc(C2CC2)cc1	2029081665	VXZBYKTZQHKHIU-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
C[C@@H](CC(=O)c1cccc(C2CCC2)c1)C1CC1	2032231041	ZWIMMXQILNJIDW-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1C[C@H](C[C@@H]2CC[C@@H](F)C2)Nc2ccccc21	2032946504	BXKHCNBXXBUPDZ-AAVRWANBSA-N	247.357	4.503	0	10	BJAE	
O=C(C[C@@H]1C=CCC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2035554138	FFRVPFURDMKJPD-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(N)c1cccc(C(C)C)c1	2036381634	GYMNZFWWTZNLCO-RHSMWYFYSA-N	247.426	4.666	0	10	BJAE	
CCC1(C)CC([C@H](N)c2ccc(C(C)C)cc2)C1	2036486755	IJYVIHFLKJCWIL-AQFXKWCLSA-N	245.410	4.636	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)C(=O)C1)c1ccccc1	2037873906	BTOIPHQBNWSGKM-ZIAGYGMSSA-N	244.378	4.576	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@@H]1CCC2(CC2)C1	2038568406	PYOOXSUEQUGREO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(NC2CC3(CCC(C)(C)CC3)C2)C1	2038942116	ZVTSTHFPBCMNIT-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CC23CCC(CC2)C3)C1	2039353378	FRSSNMHBYACXAS-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H]1CCC[C@@H](C)CC1	2039378192	XEEHFGJXMRDOBB-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC1(C)C)C12CCC(CC1)C2	2039866424	YJHUDARALYHTKF-HCEZTOJASA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H]1CCCC(C)(C)C1	2045453413	ZHHPFHJQUHICHG-CQSZACIVSA-N	244.378	4.703	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CCc3ccccc3N2)C1	2045553547	JXWUEMQZNFNTSO-HOCLYGCPSA-N	243.394	4.630	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](NC)c1cc(C)c(C)cc1C	2045741142	OHKRFRHFZDQWCX-CXMBCZLWSA-N	247.426	4.555	0	10	BJAE	
CCN[C@@H](CCC1CCC1)C[C@H]1CC12CCCC2	2047019804	LHSVZDPGAXJJGY-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(CN[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CCCC1	2047437505	MBBXXQQSHQZSSW-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1NC[C@@]1(C)CC=CCC1	2047726818	RBXVELNPRVJYNO-KRWDZBQOSA-N	243.394	4.797	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048443540	PNDYNHYUABYHKE-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(N)(C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048445878	DHFRQPLUJKQWIV-FICVDOATSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(C1CCCCC1)C1[C@@H]2CCCCC[C@@H]12	2049212135	PJKFFICBNNZOTC-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1CCC2(CC2)C1	2049854080	LJQIDEXINBAPNJ-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CC1CCC2(CC1)CC2	2049855439	MBYUKHBVYGXVCL-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@@H](O)CC[C@@H]2C=CCCCC2)cc1	2050441256	LMQNVRPCDOOQDV-WBVHZDCISA-N	244.378	4.555	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC(=O)c2ccccc2F)C1	2050495389	SZTZZBFBBVUAEH-OLZOCXBDSA-N	248.341	4.615	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)[C@H]2CCCCC23CC3)C1	2053416076	OKUKQPZANPHOPG-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)Nc1cnccc1C(C)C	2053856132	JMZCALNMRGRDEO-UONOGXRCSA-N	248.414	4.688	0	10	BJAE	
CC1(C)CCC(C)(C(=O)CC2C[C@@H]3C[C@H]3C2)CC1	2056535304	AOSDCMMZMKHMEC-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC1(C=C2CC3(CCC(N)CC3)C2)CCCCC1	2056623574	PSPLMIMTBBMZPR-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1cc(C)cc(F)c1	2059224757	FMQWCHKAGULYMV-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1[C@H]2CCCCC[C@H]21	2059250087	NGAYHSQVLLMXPW-ZTNBSJNOSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C1=CCC(C)(C)CC1	2061087977	JRECLQOTGJKFGE-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C(C)(C)C)CC1)C1CCC1	2061096869	YAVPQAQNLOGLOC-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(C(=O)CC[C@]23CCC[C@@H]2C3)CC1	2061604849	CEKHWXWXFLHPCK-PBHICJAKSA-N	248.410	4.742	0	10	BJAE	
C[C@](N)(CC[C@]12CCC[C@H]1C2)CC1CCCCC1	2061616486	JSNBJWDQAPURDY-ULQDDVLXSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC[C@@]12CCC[C@@H]1C2	2061625542	FCGQNMSHGZORFP-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)CC1CC(=C2CCC2)C1	2061684571	HWTOXNNGJAXEQU-DYVFJYSZSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC1CC(=C2CCC2)C1)C(C)(C)C	2061740128	VHRBZAFRGGORIB-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCNC3(CCC3)C2)CC1	2063232729	QRJSFVQHLXWUTI-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(OC[C@H]2C[C@@H]3CCC[C@@H]3C2)c(C)c1	2063536030	OJKRTELUZSDYBT-PHZGNYQRSA-N	244.378	4.509	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063541396	QVOWWNPAGDHWSF-QKPAOTATSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1CCCCC1)c1occc1C	2063679274	YBKBZSMWXRDUFG-DZGCQCFKSA-N	249.398	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)CC23CCC(CC2)CC3)C1	2065309033	WWEGFZVSDZFNJH-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1C[C@@H]2CC[C@H]2C1	2068800933	MJCNZJSKMOJSLB-KADBJKQNSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2CC23CCC3)CC1	2069177416	VANJCGOIAZZEFR-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CC1CCC(C[C@H](N)C2(CC3CCC3)CC2)CC1	2069567428	QVLXTDASMXRAPQ-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)C[C@]12CCC[C@H]1C2	2070967041	LYFVOTODWOANBJ-DIECFANBSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@]2(N)C[C@@H]3CCCCC[C@@H]3C2)CC1	2074628319	DHJYBZITULXMRP-QLPKVWCKSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1C[C@@H](C)c2ccccc21	2074896565	QJRGSXIOOFCGGE-FMKPAKJESA-N	243.394	4.579	0	10	BJAE	
O[C@]1(CCC2=CCCCC2)CCC[C@H](C2CC2)C1	2075714515	CIIGJHPCRSUBIT-IRXDYDNUSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC[C@H]1C[C@@H]1C1CC1)CC1CCCCC1	2075820400	KKKDCKNVNVNLSK-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@](C)(CC[C@@H]2CC23CCCCC3)CN1	2078867762	RDSWSAZQLDALGK-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCC1CC(C(=O)C[C@@H]2C[C@H]2C2CCCCC2)C1	2079841215	HMTOQORJDYDJFJ-LVBITLCTSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@@H]1CCC[C@@H]2CCCC[C@@H]21)C1CCCC1	2081140352	IZPFGAUTNRBYMD-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC(C=C[C@@]2(C)CCCN2)CC(C)(C)C1	2082972076	FTUMTFNBICUIPJ-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](CC2C[C@@H]3CCC[C@H](C2)N3)C1	2082976348	QAFWFQORHWHJEI-WZYMTQMTSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H](N)[C@H]2CCCC23CC3)C1	2082986315	LXRNAQDMYLTLAR-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](C)CCc1nc2c([nH]1)[C@H](C)CCC2	2085941771	UWFCTBFPNPSRAH-QWHCGFSZSA-N	248.414	4.608	0	10	BJAE	
Cc1cc(C[C@@H]2C=CCCC2)c(F)cc1Cl	2210737248	NFUBHBFUCLDJEQ-LLVKDONJSA-N	238.733	4.686	0	10	BJAE	
CC(C)(C)CC(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213279165	CTXYHMMZNPNVNS-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CC1=C[C@@](O)(CCCCCCC2CC2)CCC1	2213574072	OWUNDVXASNUGQK-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
O[C@@H](CCCCCC(F)F)CC1CCCCC1	2216452705	DIDWEQLZMQWKHT-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC(C)=C[C@@](C)(N)CCCCCCCC1CC1	2216861162	UCJAKMIAZZHYMN-INIZCTEOSA-N	237.431	4.811	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC(C)(C)CC)C(C)C	2217127013	GKSPOYDDPROKBS-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CCCCCCC1(CN[C@H](C)CC)CC=CC1	2217130179	RBWDXVKNSLDBBK-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CN[C@@H](C)CC)[C@@H](C)CCC(C)C	2217140947	KWHQGGVOGDRMMS-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CCC(C)(C)CC)C(C)C	2217146254	XPPHIJZTAWXVMG-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@H](C)C[C@@H]1CCCC(C)(C)C1	2217149049	GXYGOOGLBZRCPT-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@@H]1CCc2cc(C)ccc2N1	2217469206	RMVNIZCXSVYPFD-HNNXBMFYSA-N	231.383	4.548	0	10	BJAE	
CC1(CC[C@H](N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218357813	IKZNLBLQAPFOBY-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCC1CC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218359919	WKKITAWVLAVETK-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC[C@](N)(CC1CC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218362207	VBTOUPVRNRRRFM-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCNC1(CC2CC2)CCC1	2218718569	OWTFREQICWCAII-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(CN)CCCC23CCC3)C1	2221028198	NQDGCLWVTLXYGZ-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc2ccn(CC3(C)CC(C)(C)C3)c2c1	2221086572	SNSJXRNQVCFLCU-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
CCCC1(CN(C)C[C@@H]2CC=C(C)CC2)CCC1	2221629705	GBCQFDSLGNBZME-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CC[C@@H]2CC(C)C)CC1	2221646258	RQWIYRHYWGVIHU-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CCC[C@@H]2C)CC=C(C)CC1	2221669293	WIMPIQHFSBBOPD-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C1CC[C@@H](CC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)NC1	2222918808	NXCFTZFUKDTKJD-QAETUUGQSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CC[C@](N)(CCCCCCCC3CC3)[C@@H]1C2	2223158971	LXEKTZKFCZBEGI-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC(C)(C)C)c1ccccc1	2223558498	MVEYUCYRQZYCPH-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)c1cccc2ccoc12	2224168759	WICIBMBXWNUQCG-UHFFFAOYSA-N	244.334	4.688	0	10	BJAE	
Cc1cc(Cl)ccc1NCC1=CCCCC1	2243243511	OPVGOHFDFDXKKL-UHFFFAOYSA-N	235.758	4.561	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@H]1CC[C@H](C)CC1	2244779059	CIZXDPPZEXMXQX-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H](CC)CCC	2244785711	XITHPDWLZBWEIW-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](O)[C@H](C)CC[C@@H](C)CCCC(C)C	2244846207	ZPQUMNPAUDCLLM-ZNMIVQPWSA-N	228.420	4.636	0	10	BJAE	
CC(C)(C)CC1CC(CNc2ccsc2)C1	2245375682	RNFPPGLTAWLMSA-UHFFFAOYSA-N	237.412	4.622	0	10	BJAE	
CCCC[C@H](CC)CSc1cccc(F)n1	2246105483	ATEUJBFOTNPTFH-NSHDSACASA-N	241.375	4.529	0	10	BJAE	
CCN[C@@H](CC)CCC[C@H]1CCCCC12CC2	2246627018	ODHIQPVUKHFRHN-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@@H](O)CCC[C@H]1CCCCC12CC2	2246627656	SJQMGJDCLRLHQK-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CCCC[C@@H]1C[C@H]1C	2247172513	AQOWTKSBQXYWPU-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC1CC(CC(=O)CCCC[C@@H]2C[C@H]2C)C1	2247174739	HNCKJBSITQSXPW-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1CCC1(C)C)NCC	2247299372	CFKJVQSPGJBTPA-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@H]1CCC1(C)C	2247304220	SJNRKZQCEUGMFS-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H](O)C1(C)CCCCCC1	2247422295	LHJWFDNIGMYLOK-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCSc1ccccc1NCC1=CCCCC1	2247491495	ZYNOJLLMOHUSQM-UHFFFAOYSA-N	247.407	4.711	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC[C@H]1CCCC12CC2	2247607793	UPEYCNFJPQBQTC-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C(=O)CC[C@@H]1CCC[C@@H](C)C1	2250374179	WTNBVZZMHBMKER-ILXRZTDVSA-N	238.415	4.988	0	10	BJAE	
CCC1([C@H](N)CC[C@@H](C)CCCC(C)C)CC1	2250478900	NLBPGGACSPFPQI-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C(C)C)[C@H](C)O	2250484143	BVNWBGCXCHDPNH-HRCADAONSA-N	242.447	4.882	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(O)CC[C@@H](C)C1	2250495363	HNVDLKCSIPWMRZ-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCON(CC[C@@H](C)CCCC(C)C)C(C)C	2250530403	UGIOEYPWJRRQGL-HNNXBMFYSA-N	243.435	4.501	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@]12CCC[C@@H]1CC2	2251140234	MQYTVBLSHWZEBQ-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)C[C@@H]1CCCCC12CC2	2253833583	QVDLFQNXKDCAAE-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC2(N)[C@H]3CCC[C@H]2CC3)C1	2254006282	YVNXGZJVGRMPAM-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(NC[C@@H]1CCC12CCC2)C1CCCCC1	2254980337	SVTQCDARXWQHSD-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CCC23CCC3)CC1	2255027763	URLWLJZIQXDFKS-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC1(c2ccccc2NCC2=CCCCC2)CC1	2255101029	JGAYYISJPWRPHI-UHFFFAOYSA-N	241.378	4.650	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NCC[C@H]1CCCC12CC2	2255292055	VDVPZOIXALBAGN-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@H](NC)c1ccc(CCC)cc1	2256291224	AQRUWLSILWJVEN-YXMMZVCTSA-N	245.410	4.646	0	10	BJAE	
CC(C)c1cccc(N[C@@H](C)[C@@H]2CC23CCC3)c1	2256450806	FNAJLCVHJGZQGU-BBRMVZONSA-N	243.394	4.801	0	10	BJAE	
CC(=CC[C@H]1CCC(=O)[C@H]1C)CCCC(C)C	2300865883	SUBDJZVWWLMCBM-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
CC(=CC[C@@]1(N)C=C(C)CC1)CCCC(C)C	2300875095	RFCLPBKTYPIMNI-INIZCTEOSA-N	235.415	4.587	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H](C)CC(C)(C)C	2300904302	NJTZQKOVRZKHRP-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)N[C@H](C)CC1CCCCC1	2301714455	OHOCLXOCEQMIFW-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CCCN[C@H](C)c1cccc(C(CC)CC)c1	2302230719	KMTBLUOIJGGHBR-CYBMUJFWSA-N	233.399	4.651	0	10	BJAE	
C/C=C/CCC[C@H](CCC[C@@H]1C[C@H]1C)NCC	2302611190	BLDCBDOJYNVTMD-PSVUTLLTSA-N	237.431	4.537	0	10	BJAE	
CCCC1CC(C(=O)C[C@H]2CCC(C)(C)C2)C1	2302881355	XPXINGFGMIXKEN-ROKHWSDSSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC[C@@H]1C[C@H]1CC	2303566783	VJERAJMNVVLXQT-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C(C)(C)C2CC2)CC1	2303593893	ARGKYWHGOQUDSL-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H](C(=O)CC[C@@H]1CCC(C)(C)C1)C(C)C	2304437091	VRQDVBPOGDQMBR-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1C[C@H]1c1csc([C@H]2CCCCC23CC3)n1	2307696916	VBDWHXWGQYLNPG-IJLUTSLNSA-N	247.407	4.704	0	10	BJAE	
CCC[C@H](CC)CN(CCC(C)C)CC(C)C	2307747693	RYHANOLYFRSGDK-INIZCTEOSA-N	241.463	4.817	0	10	BJAE	
CCCN[C@H](CCC[C@@H](CC)CCC)C1CC1	2307906375	DXDLTLDKNBPXAP-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@]1(C)CCCC1(F)F	2307910755	ZOTMANOSFAPPLE-YPMHNXCESA-N	246.341	4.597	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)[C@@H]1C[C@H]1C(C)(C)C	2311518319	KYEFBPDABUAPAC-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(C[C@@H]1C[C@H]1C1CCCC1)C1CCCC1	2311608646	RVAXHSVYUPWCIE-BHYGNILZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)[C@@]12CCCC[C@@H]1CC2	2313291732	BMMCYNOFILZSRY-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@](N)(CC)Cc1ccccc1	2316272839	HOECPNAGKWYONK-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@]1(C)CC=CCC1	2316504788	WFYLVMFSWXKZQK-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
CC(=CC=C1CCCC[C@H]1CN)CCCC(C)C	2316535672	JHQGWKUDARQCAY-KRWDZBQOSA-N	249.442	4.834	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C[C@@]12CCCC[C@@H]1C2	2317976232	WBLOVELDMUCMED-IKGGRYGDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1[C@@H](N[C@@H]2CCC3(CCCCC3)C2)CC1(C)C	2318240824	LVCATYFARWALQA-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
COc1cccc(NCCCCCC(C)C)c1C	2318430002	KBBFBZAUSQSSFN-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NCCCC1=CCCCC1	2318524891	TVJXXTPMEBFINP-NVXWUHKLSA-N	249.442	4.825	0	10	BJAE	
NC1(CCCC2=CCCCC2)C[C@H]2CCC[C@@H]2C1	2318558184	RUVIZZFGRSVLHN-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
NC[C@@]1(CCCC2=CCCCC2)CCC12CCC2	2318576195	MTSKQJLQLUHJEZ-QGZVFWFLSA-N	247.426	4.566	0	10	BJAE	
Cc1cccc([C@H](O)C[C@@H]2CCC(C)(C)C2)c1C	2319316053	ZASAQMMOIRGXGW-GOEBONIOSA-N	246.394	4.553	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CCCC[C@H]3C[C@H]32)CCC1	2319453033	CFFOBWVXTILNJL-JJRVBVJISA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C1CCCCCCC1)[C@H](CC1CC1)C1CC1	2320814349	SOHCCFSARVEIQW-SJORKVTESA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](N)C23CC(CC(C)C)(C2)C3)CCC1	2321586206	CERHVKKQRBYDPJ-UQPPLGOBSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC12CC([C@@H](N)CCCCC3CC3)(C1)C2	2321596509	ZATKUSWAWNNROK-GTPINHCMSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@](C)(N)[C@@H](C)C(C)C)c1	2327676373	WCKSZCCWCNZUAJ-YOEHRIQHSA-N	247.426	4.584	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)c1cc(C)ccc1C	2328283057	UHDKVPLJRWIZQM-WBVHZDCISA-N	247.426	4.780	0	10	BJAE	
CC(C)OP(C1CCCC1)C1CCCC1	1756211	NGPPDXXDDCXIOJ-UHFFFAOYSA-N	228.316	4.694	0	10	BJAE	
CCCCCCC=CCCCCCC=O	2522550	AVHNDAZRNRAYTP-UHFFFAOYSA-N	210.361	4.662	0	10	BJAE	biogenic
Cc1ccc([C@H](C)Nc2cccc(Cl)c2C)o1	20020548	UWTBKYJZKOKZTC-NSHDSACASA-N	249.741	4.723	0	10	BJAE	
CCC(C)(C)N[C@@H]1CCC(C)(C)c2ccccc21	20525517	SWRJXDGZEIXYLO-OAHLLOKOSA-N	245.410	4.577	0	10	BJAE	
CCCC[C@H](NCCC)c1cc(C)ccc1C	35581566	PGHIITFBRUZIPC-INIZCTEOSA-N	233.399	4.534	0	10	BJAE	
CCCCCC[C@@H](C)NCC1CCCCC1	37117265	ZLBIYMYLLRYCGA-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
Cc1cccc([C@H](C)Nc2cccc(C)c2C)c1	37215660	PGFLQWRQBGWFBG-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
CC(C)C[C@@H](N[C@H](C)C1(C)CC1)c1ccccc1	37508927	IBKJUBRHXFIYIU-GDBMZVCRSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)c1ccc(C)cc1	69377067	YTTVPFQELBPPQG-GOEBONIOSA-N	233.399	4.614	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cc(C)cc(C)c2)C1	71105821	KQABBMLCNHWWEO-LSDHHAIUSA-N	231.383	4.684	0	10	BJAE	
C(=C\c1cccs1)\C=C\c1cccs1	77039950	SEIGKYBFMXSLAH-SOSXVSKCSA-N	218.346	4.536	0	10	BJAE	
CCCC(=O)CCCc1csc2ccccc12	80384180	AZBNYTGTRCZWLQ-UHFFFAOYSA-N	246.375	4.593	0	10	BJAE	
Cc1cc(Cl)nc2c(Cl)cc(Cl)cc12	82788493	JUPDRFWQYZFQGV-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
C[C@@H]1CCC[C@H]1Nc1cc(Cl)ccc1Cl	83389576	RBQUUWNDGRHWTP-LDYMZIIASA-N	244.165	4.594	0	10	BJAE	
CCCCC[C@@]1(N)CCC[C@@H](CCC)CC1	83437443	SPEDMAOVGXWDDF-HUUCEWRRSA-N	225.420	4.645	0	10	BJAE	
CCCN[C@@H](C1CCC(CC)CC1)[C@@H](C)CC	85081030	RWPLVDQYVCIWEL-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC)CCC1CCC(CC)CC1	85082949	DXYXAJXIBUKLTA-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC[C@@H](C(C)(C)CCC(C)(C)C)C(=O)C1	85155163	FHBDIAYRAVCEBN-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](N[C@@H]1CC[C@@H](CC)[C@H]1C)c1ccccc1	86092037	HGNNPRXAFBVHKY-TXCZRRACSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2CCC[C@H](C)CC2)cc1	86887970	RQVXTGKKXARLCY-LXZKKBNFSA-N	245.410	4.614	0	10	BJAE	
CC(C)CCCc1cccc2ccccc12	90768941	RYOHAOLEKZZPFP-UHFFFAOYSA-N	212.336	4.819	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Sc1ccc(N)c(C)c1	91938747	WICUCNOYJBTWFU-WFASDCNBSA-N	249.423	4.638	0	10	BJAE	
Cc1cc(-c2ccc(C(C)(C)C)s2)ccc1N	132078817	HWNNAOBFUXIZFH-UHFFFAOYSA-N	245.391	4.603	0	10	BJAE	
CC(C)c1cnc(-c2cc3ccccc3o2)s1	132151488	CTWAETAIOWWRSG-UHFFFAOYSA-N	243.331	4.680	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](C)CCNC(C)(C)C	132700263	NDCNTVDVWYIWPT-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1ccc(C2CCC2)cc1)[C@H](C)CC	133187633	BMUPVSDBBLCEDR-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C[C@@H](C)CC	133412922	JRUMVMSBTFGLSS-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(C)(C)CCNC(C)C)C1	133929968	GHWMXSARWNFVOB-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCc1cccc([C@H](O)C[C@H](C)C(C)(C)C)c1	159832234	SFUDBDQACYFZIJ-XJKSGUPXSA-N	248.410	4.745	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)C[C@H](C)C[C@@H](C)C1	219633542	IOVLNIKWSMFHQK-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)C(CC)CC	228739353	YQYVWPACRUROIB-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CCCCCC(CCCCC)N[C@@H]1C[C@@H]1CC	232947485	IVTGIMNGHQZGEU-GOEBONIOSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@@H](NCCC)C1(C)CCCCC1	232980840	HCPFNWQWZHAPMI-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@@H]1C[C@H](CC)CC[C@H]1CNCCC	251266488	CLXOUHYFAUXSLG-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@H](CC(C)C)c1ccccc1	252406949	GZRSFOUFRNJXRX-ZMSDIMECSA-N	247.426	4.798	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCC[C@H](C)[C@H]1C	253620096	KSUCEWVVXRBTJW-ARKGTOAJSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)[C@H]2CC2(C)C)cc1	300258384	WBCXHEZJERQEKY-APHBMKBZSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)CCC(=O)c1cc2cccc(F)c2o1	302244634	AAZRJKYYNGVPSB-UHFFFAOYSA-N	248.297	4.581	0	10	BJAE	
CCCNC[C@@H](C)[C@@H](C)CCC1CCCCC1	302247585	JELPQANPLSLCMX-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CCCCCC(C)(C)C)C1CC1	302251424	CBGCYXODPWINNL-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1ccccc1C1CC1	302290757	LCIWZZUIAROHIJ-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCCC[C@H](C)[C@@H](NC)C1=CCCCCCC1	302391252	NVDACAWMCVTGNC-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1Nc2ccccc2C[C@H]1C	302431026	VJRQEUIEFGFSNB-VBQJREDUSA-N	245.410	4.732	0	10	BJAE	
CC(C)CSc1c(Cl)cccc1Cl	307179274	IEUMYIAOJUBGHN-UHFFFAOYSA-N	235.179	4.742	0	10	BJAE	
CSc1csc2cc(Cl)cc(S)c12	307473936	RYSWIWQXUVDBPU-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC(C)C)[C@H](C)C(C)C	309993915	OXAOPKXWYWRGEQ-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CCC1CCC(O)(C[C@@H]2CCC[C@H](C)C2)CC1	310113152	GFFMISYRGXNUKG-JWMHWRSXSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C[C@@H]1CCC[C@H](C)C1	310518671	NAYGZOIXWCTFTI-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)Nc1cc(C)c2ccccc2n1	310677049	JSVXTGDIEMNHCX-ZDUSSCGKSA-N	242.366	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1CCCC1)NCCC	379819868	VJORWJQHZARPDK-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc(NCC2(SC)CC2)cc1	384045722	QYLDIRODIQWQLD-LBPRGKRZSA-N	249.423	4.508	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(O)Cc1ccccc1	384155249	PDUBURXTCUUIKE-DOTOQJQBSA-N	248.410	4.587	0	10	BJAE	
Cc1c([C@@H](O)CC(C)(C)C)ccc2ccccc12	384420476	SOSMEWDQZDLWCX-INIZCTEOSA-N	242.362	4.618	0	10	BJAE	
CCNC[C@H]1CCCC[C@H]1CCC1=CCCCC1	384994386	UHFLLNLWKLQISU-DLBZAZTESA-N	249.442	4.683	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@H]1[C@H]1CCCCN1	385950837	CTIMRIMKWXKXGR-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](Nc1cccc(Cl)c1)C1CCCC1	387714476	ZMRLPPVWLYDNCZ-AWEZNQCLSA-N	237.774	4.721	0	10	BJAE	
Cc1cc(NCC2(C)CCCCCC2)ccc1F	394668075	OGZJGYIKRQFDHD-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCc1cc(NC[C@H]2CCCC[C@H]2C)ccc1C	394771405	AAUHYVPAFCYGEQ-CZUORRHYSA-N	245.410	4.796	0	10	BJAE	
CCc1csc2c(F)cc(C(F)(F)F)cc12	396301612	QUPVVAGTTKTXGH-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCCC(CCC)Nc1cncc2ccccc12	396527419	QTFJDFIPWJAKNP-UHFFFAOYSA-N	242.366	4.616	0	10	BJAE	
C[C@H](Nc1ccccc1C(C)(C)C)[C@@H]1CC1(C)C	397632296	OOOKMICXVLJBOZ-JSGCOSHPSA-N	245.410	4.831	0	10	BJAE	
C[C@@H](Nc1ccccc1C(C)(C)C)[C@H]1CC1(C)C	397632298	OOOKMICXVLJBOZ-TZMCWYRMSA-N	245.410	4.831	0	10	BJAE	
C[C@@H](C[C@@H]1C[C@@H](C)Nc2ccccc21)C1CCC1	398666403	QJEDUWSPRJCQMS-GZBFAFLISA-N	243.394	4.801	0	10	BJAE	
CCCC[C@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NC(C)C	402137983	JPOCLPWBONXLOS-LUKYLMHMSA-N	249.442	4.536	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@@H](C)C(C)(C)C	688949240	MDGMSWJQNGFOHK-CJNGLKHVSA-N	247.426	4.753	0	10	BJAE	
CC(C)(C)CCCNc1ccc(C2CC2)cc1	690085576	ALLDXQADBXQEQA-UHFFFAOYSA-N	231.383	4.802	0	10	BJAE	
Cc1cccc([C@@H](C)N[C@H]2CCCCC[C@H]2C)c1	691140353	QGWUQMQWKJSYBK-INMHGKMJSA-N	245.410	4.614	0	10	BJAE	
CCCC[C@@H](CC)CC1(CN)CC2(CCC2)C1	691427898	CDKFYQFIXUXIIM-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccc2sccc2c1	691852077	YORMNTFVTXXKON-CYBMUJFWSA-N	248.391	4.761	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)c1cc(C)cc(C)c1	696255998	FZNPGVJSAGFAHE-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)C1(CC)CC1	696551680	TZUVSAIXGDBFBM-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CCCCCC(C)C	696590716	CEWPYLDFJXIFQL-AWEZNQCLSA-N	228.420	4.780	0	10	BJAE	
CCC(C)(CC)[C@](C)(O)CC1CCCCC1	701069647	ZDSIBFZWHWDIQO-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C[C@H](CC)CC(F)F)NCCC	701561614	NQOBCGGQPXEETB-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCCC[C@](C)(N)c1cc2ccccc2s1	704506622	HQJMFTLGDNPILF-HNNXBMFYSA-N	247.407	4.656	0	10	BJAE	
CC1CCC(C[C@](C)(N)CC2CCCC2)CC1	704906210	PYWUEDDRYDOTPH-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](N)([C@H]1CCC[C@@H](CC)C1)C(C)(C)C	704912673	JCHJDPUNHKGFEC-YCPHGPKFSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCCCC[C@@H]2C)C1	704931425	VCYAHNJBVOSBIO-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)c1coc(C)c1	706316425	XAAYMVHTWBYZAQ-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
C[C@@H]1C[C@H](N[C@@H]2C=CCCCCC2)CC(C)(C)C1	708251316	MOFHZHBLRFYWCB-OAGGEKHMSA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@H](C)CC(C)C	708311032	CAGIPQLOOQKDNE-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(CN)CCCC[C@H]1C	709077194	IRPNLUMTZLTXTR-FMKPAKJESA-N	239.447	4.604	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@]23CCCC[C@@H]2C3)c1F	709125710	IGXGRSHSWPQNHG-IOASZLSFSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@H](CC(C)(C)C(C)C)NC(C)C	713185186	QQDGYKMPZHQMDI-CQSZACIVSA-N	227.436	4.616	0	10	BJAE	
CCC(C)(C)CC(=O)c1cc(Cl)ccc1C	713326857	UQFPGMCMIWVDIM-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
C=C/C=C\CC[C@@H](NCCC)c1cccc(C)c1	713737100	YTCLVVIHXNTHNW-JTGQJZMRSA-N	243.394	4.558	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)[C@@H]1CCC[C@H](CC)C1	713738284	DISXLCYOGGMZFK-BHOBLMPXSA-N	249.442	4.703	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1	714304871	QDOUXVCYERXSKB-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CCC[C@]1(CN)CCC=CCCC1	718971201	OTCWAWJLFGZUFU-INIZCTEOSA-N	237.431	4.668	0	10	BJAE	
CCC(CC)C[C@]1(CNC)CCC=CCCC1	718996413	HWDFLOALYYFQKW-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@@H](C1CCC1)C1CC1	719189653	OFEMURIKFGXEIP-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	723130686	JBZPOYGEVFYMJJ-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CCSc1cccc(NCC2CC(C)(C)C2)c1	723537057	ROVSQXFELMASNF-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CC1(C)CC(C[C@H](N)CCC2CCCCC2)C1	723567588	KEQWDTJRHUXDDM-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cc(CC2CCCCC2)ccc1C=O	725395292	QMHBZNUSJFZJIO-UHFFFAOYSA-N	244.378	4.745	0	10	BJAE	
C=C/C=C\CCOc1cc(Cl)cc(Cl)c1	1164497768	KFMVSBDIXWGNRC-ARJAWSKDSA-N	243.133	4.505	0	10	BJAE	
C[C@H](S[C@H]1CC[C@@H](C)C1)c1ccc(F)cc1	1458932679	APLKDMJAAVACOG-SUNKGSAMSA-N	238.371	4.809	0	10	BJAE	
CCC[C@H](C)N1CCCC2(CCCCC2)CC1	1645296122	CNMDCVZHVNLIQY-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCCNCCC=C(C)[C@H]1CCC[C@@H](CC)C1	1876996404	FCFDJCWQBPAEBD-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCc1ccc(C(=O)CCCC(C)C)s1	1900675369	GEORNXYQGFGJCT-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CCC(CC)CC[C@H](N)C1CCCCCC1	1900698223	TUWNPUJXSNUASO-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1c1nc([C@H]2CC2(C)C)cs1	1901913142	WOURTBLTPNHPID-OUAUKWLOSA-N	235.396	4.560	0	10	BJAE	
CCCC[C@H](CC)N(C)C[C@@H](CC)CCC	1905291491	DUFUXAGCAWPJJS-GJZGRUSLSA-N	227.436	4.713	0	10	BJAE	
C/C=C/CCCC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	1908080967	BTUDWPVCVMOPAT-GTKVBAFNSA-N	236.399	4.764	0	10	BJAE	
C[C@H](CC(=O)CC[C@@H]1C[C@H]1C)C1CCCCC1	1910140355	RQEOFWABMGTLAK-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
O=C(CCC1CCCCC1)C1CC2(CCCC2)C1	1912605216	UMOAUHVTMRKOAB-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
C[C@H]1CC[C@H](N[C@H]2CCC3(CCCCC3)C2)CC1	1915866856	RZBLIXLHCAMCJL-JYJNAYRXSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC[C@@H]1CC1(C)C)NC	1921568031	PJDBFCIDGMIRMF-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@@H](C)C2CCCC2)c1	1924077610	GCSGMTIRQHNBSC-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CCC(CC)CCNc1cccc(SC)c1	1926130652	BFWXQRXSVQNFTG-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CCC(CC)CCNC[C@H]1CCC[C@@H](CC)C1	1926172777	DNZLCTRJCUQQJK-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CC(=O)c1cccc2sccc12	1926193539	KBOZXAOPHRDYJN-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CCC(CC)CCNc1ccc(Cl)cc1	1926202976	KVCQEQFAZBKOAG-UHFFFAOYSA-N	225.763	4.578	0	10	BJAE	
CCC(CC)C[C@H](N)c1cccc2sccc12	1926375943	JLFVZDJUJQNMTE-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
Cc1cc(Cl)cc(C[C@@H]2C=CCCC2)c1	1935044927	UYKYRNZMILJGFC-GFCCVEGCSA-N	220.743	4.547	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1sccc1CC	1938210319	YWRGZXGSHGSTQH-WCQYABFASA-N	240.412	4.560	0	10	BJAE	
CC1(C)CC[C@H](N)[C@H](CC2(C)CCCCC2)C1	1940410562	RZNJDPZQXDPOIQ-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](O)CCC1CCCC1	1940880447	AGEHIRUIFKBIBA-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C[C@H]1CCC[C@H](C)C1	1941265278	VHKSMBFFSUZDHA-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)CC1CCCCC1	1941267910	YMCFKLZATBCNHH-HZPDHXFCSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(O)CCCCCC1CC1	1941577179	XSLOGZCJKWMONX-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@H](N)CC1CCC=CCC1	1941795295	JGZCWBIISLRLKK-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
CCC1CCC([C@H](N)[C@H](C)CCC(C)C)CC1	1942659776	JQJWFIJERSQHHZ-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCC1(N)CC(C2CCCCC2)C1	1945947828	PUSUJWHLNJTRLP-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC1(O)C[C@H]2CCCCC[C@@H]2C1	1947841882	DUDZTXQIVAHEIS-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC1CC(C)(CC)C1	1948396967	CUZNXXUJULNKNG-YHNBSYBMSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@](C)(N)C[C@@H](C)C1CCCCC1	1948925464	GAZPFRNQQMBVLE-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@](O)(CC)[C@H]1CCC2(CCCC2)C1	1949453051	NKDMLVARDRERMA-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@H](O)CC2CCCC2)C1	1949867889	CVLZMGVFKXYQAX-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)CC[C@@H](O)CC1CCCCC1	1949923459	QSYNLDXIPGXTNJ-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@H]1CC[C@H]1Nc1cccc(Cl)c1	1968259027	FKDPRGIYVKSORU-BXUZGUMPSA-N	237.774	4.577	0	10	BJAE	
CC(C)c1ccccc1NCc1cscc1F	1968298276	CIESISMTUZJXHH-UHFFFAOYSA-N	249.354	4.623	0	10	BJAE	
CCc1ccc(OC[C@H]2CCCC3(CC3)C2)cc1	1968346986	USTHYECAMIPQOL-HNNXBMFYSA-N	244.378	4.598	0	10	BJAE	
CCC(C)(CC)CN[C@H](c1ccccc1)C(C)C	1973316836	ZYFXHCMXAZLGPA-INIZCTEOSA-N	247.426	4.800	0	10	BJAE	
CCCC[C@@H](CC)N[C@H]1CCCCC(F)(F)C1	1974283504	DPBHMJKGOMFVIQ-OLZOCXBDSA-N	247.373	4.513	0	10	BJAE	
CCCC(C)(C)[C@@H](CCCC(C)C)NCC	1976011820	ZRKQWGBUWTVQQM-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(N[C@H]2CCCC3(CCC3)C2)cs1	1976292628	VVLRCJCOBJICDJ-LBPRGKRZSA-N	235.396	4.581	0	10	BJAE	
CCC[C@H](C)C1(O)CCC(CC)(CC)CC1	1981065416	JKNBUYHAJYSSAV-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
C1CC(=C2CC(C[C@@H]3[C@H]4CCCC[C@H]43)C2)C1	1985531059	PZAVAAPMHGCRMY-ZSHCYNCHSA-N	216.368	4.703	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H](C)C(C)(C)CC	1986938048	LVQGVWSVURUYSL-UONOGXRCSA-N	227.436	4.616	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](C)CCC=C(C)C	1988793587	AHSMMBAUMYZKHJ-ZIAGYGMSSA-N	225.420	4.536	0	10	BJAE	
CCCC1(C[C@@](C)(O)C(C)(C)CC)CCC1	1989800372	GCMODPXGVDJSJS-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H](CC)C(C)C	1990092074	UZDQZKJWNFDKHZ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CCCC1CC1	1995264286	UZRUYSUORBXMGO-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)C1(C(C)C)CCC1	2000371975	KABYLTQWTGBPDF-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)c1cc(C)sc1C	2000387965	PENVWMLJALSHPD-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CCCN[C@H]([C@@H]1CC1(C)C)C(CC)(CC)CC	2000388883	YDWFYAARQUAPRT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CCC1=CCCCC1)C(=O)O	2000499053	GUARNFKISSEISC-OAHLLOKOSA-N	238.371	4.548	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)CC1CCC1	2000504037	DEIVRYNYVWEXQG-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c2nc3c(c(Cl)c2c1)CC[C@H]3C	2002852999	KUMCRYAINQZGOU-SECBINFHSA-N	245.753	4.555	0	10	BJAE	
C[C@@H](C1CCC(C)(C)CC1)N(C)CC(C)(C)C	2002969019	VAETUSWITRKBFA-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(O)C2CCCCCC2)C1	2002999263	RSXAPYTVYYYMOW-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCN[C@H](C)[C@H]1CCC[C@@H](C)C1	2003019580	XHWMXSDBDIEEHC-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc([C@@H](O)CCCCC(C)(C)C)c1	2003624706	AUMXZKFRMJLXBJ-HNNXBMFYSA-N	234.383	4.635	0	10	BJAE	
CSc1ccccc1N[C@H]1CCCCC12CC2	2005533757	YXTLCIJDJGUBDZ-AWEZNQCLSA-N	247.407	4.543	0	10	BJAE	
CC1=C(C)[C@H](N)[C@@H](C[C@H](C)CC(C)(C)C)CC1	2006907358	KOBHBQJXHASWTB-GLQYFDAESA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CCC=C(C)C)[C@@H]1C	2006978802	AVIUYYLYMAXESS-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1(CNCC)CCC2(CC2)CC1	2007687067	CFURINIZGHDHBO-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC1CCC(C)([C@H](N)CC2(C)CCCC2)CC1	2007688766	HDPPSDQSAUGYKX-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@]1(CC2CCCCCCC2)CCCN1	2009065110	WEMPBRGYLZNUQQ-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H](C)C1CC2(CC2)C1	2012412775	PUKDOUUKKXMBPY-LLVKDONJSA-N	249.785	4.639	0	10	BJAE	
CC[C@@H](C)CC(O)(C1CCCC1)C1CCCC1	2013227117	FDRDJQIYFUSYIL-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)C1(C)CCCC1	2014334644	MNGJFVDZRDVUEX-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC(=O)[C@]1(C)CCCC(F)(F)C1	2014954427	LYIHSPRSAGEDLC-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)(CC)C(=O)CC1C[C@H]2CC[C@@H]2C1	2015188661	SNTYWHALIPZJMM-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](O)C(C)(C)C1CCCCC1	2015280645	HKRVIOAPCFALNV-UKRRQHHQSA-N	240.431	4.636	0	10	BJAE	
CC1=C[C@@](N)(CCC(C(C)C)C(C)C)CCC1	2015395254	XNVDCEDHQXINTA-INIZCTEOSA-N	237.431	4.523	0	10	BJAE	
CCCC1(C[C@@]2(O)CCC[C@H]2C(C)C)CCC1	2015630644	BCRFOXFHACYNFG-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCCC1CCC([C@H](O)C(C)=C(C)C)CC1	2017489137	GDKRGJLOCPKBKW-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)CC2=CCCC2)CC1	2017662911	MEPLHYPKJXWPSX-CTYIDZIISA-N	234.383	4.662	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)c1ccc2sccc2c1	2017709506	GXWBJECEHMNRCR-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](C)[C@H](C)NC(C)C)CC1	2017723247	SROOJHOSDSJQME-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCCN(C)[C@@H](C)C1CCC(C)CC1	2019299572	KORCQPLAUPGYDJ-PCKAHOCUSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)[C@H]1C=CCCCC1	2019534239	XZFXKUPJRKJWDF-HOTGVXAUSA-N	237.431	4.632	0	10	BJAE	
C[C@@H](C[C@H]1CCCC(C)(C)[C@@H]1O)CC(C)(C)C	2020403899	AJTNHXPHXKDSMY-BFHYXJOUSA-N	240.431	4.636	0	10	BJAE	
CCCCN(C1CCCC1)[C@H]1CCC(C)(C)C1	2020537189	JTBRHNFDLJWDPU-HNNXBMFYSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H](N[C@H]1CCC2(CC2)C1)c1cccs1	2021786912	CKIPCCSUHGYUFO-QWHCGFSZSA-N	249.423	4.512	0	10	BJAE	
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CC1(C[C@@]2(N)CC(C)(C)C2(C)C)CCCCC1	2025004062	OFPKYNUGWSNTAU-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H](C)C1CCC1	2026166797	MLFVMCKWBFTHEJ-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCc1cccc(CC)c1N[C@@H]1CCCC[C@@H]1C	2027005556	SNIDPHPPJZTWSS-XJKSGUPXSA-N	245.410	4.802	0	10	BJAE	
CCc1ccc([C@@H](N)[C@@H](CC(C)C)C(C)C)cc1	2028266211	UPLCOGJJIHQCBZ-DLBZAZTESA-N	247.426	4.567	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cccc(C2(C)CC2)c1	2028560001	LWNWAYAOFATBGL-HNNXBMFYSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1ccccc1C1(C)CC1	2028603596	YIVOZKPGAOTEHF-XJKSGUPXSA-N	245.410	4.564	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@]1(N)CCC1CCCCC1	2029601125	SGQBZOBOZRBDGH-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@]23CCCC[C@@H]2CCC3)C1	2031798473	MQTXJSVYJTUUDR-HLLBOEOZSA-N	249.442	4.658	0	10	BJAE	
O[C@@]1(C2=CCCC2)CCCC[C@H]1C1CCCCC1	2033826233	PPYRRHWWZSBJIM-DLBZAZTESA-N	248.410	4.598	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@H]2CCC[C@@H](F)C2)c1	2034874411	OPMRKZJEYGINNE-LSDHHAIUSA-N	248.341	4.521	0	10	BJAE	
CC1(C)CC(NC[C@H]2C=CCCC2)CC(C)(C)C1	2035595910	ZWFWMJNHHKPLST-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
C1CCCCC(NC2CC(C3CC3)C2)CCCC1	2035888197	RQTGQTOFCAAGLP-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CCC[C@](N)(CCC(C)=C(C)C)c1ccccc1	2037168845	MJXAJBFBSIZMJT-KRWDZBQOSA-N	245.410	4.777	0	10	BJAE	
CCC[C@@](N)(CCC1=CCCCC1)C1CCCC1	2037172119	RIWDKDXCPRMRAO-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CCC(C)(CC)[C@@](N)(CC(C)C)c1ccccc1	2037217136	YUTUOSRDIJFWCC-QGZVFWFLSA-N	247.426	4.713	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)[C@@H]1CCC2(CCCC2)C1	2037677590	FIOASFBZSBZHQT-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
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C1CCC(CCCN[C@@H]2CCCC3(CCC3)C2)C1	2041290462	QUZPSIYWURKJSV-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H]1CCC[C@H](Nc2ccc(C)cn2)CC1	2041497390	BJEVKFODIUXXDC-CABCVRRESA-N	246.398	4.551	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCC1(C)CC=CC1	2042081608	WKJPSWTYYUJICQ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC(C)NC[C@]1(CCCC2CCC2)CC=CCC1	2042092637	YDDRGPPIRSGBSC-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc(N[C@H]2[C@H]3C=CC[C@H]2CC3)c1	2042525469	BQGJDSNEBGYOSN-ZQIUZPCESA-N	241.378	4.577	0	10	BJAE	
CCN[C@H](CC1CCC(C)CC1)[C@H]1C=CCCC1	2043188605	VBDRAZUOAGXQRT-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)C[C@@H]2CCC=CCCC2)C1	2045331134	CCALPKKQPFNMDJ-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](c2ccc3c(c2)CCCN3)C1	2045506198	PMEJLHFFIGCGLV-HNNXBMFYSA-N	243.394	4.729	0	10	BJAE	
CC1(C)CCC[C@@H](c2cccc3c2CCCN3)C1	2045509588	ZWRKSRPTMDKYMG-CYBMUJFWSA-N	243.394	4.729	0	10	BJAE	
CCC1(C(=O)C[C@H]2CC23CCCCC3)CCCC1	2047056568	UQGHHCKLUXNTTH-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)C[C@@H]1CC12CCCC2	2047061713	HWVOQZDLAXKMDX-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
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C[C@H]1CC[C@H]([C@H](N)[C@@H]2CCC3(CCCC3)C2)CC1	2049687513	UPYRVHKUSYLLNS-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC1(NC[C@@H]2CCCC3(CC3)C2)CCCCCC1	2049856288	QKIOIBPAFAATSI-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CC2CCC3(CC2)CC3)C1	2049948551	QSNQBDUETWTALY-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
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CC[C@@H]1CCC[C@H](C[C@H](N)c2ccc(C)cc2)C1	2050427812	TUDWITQPNMTKOJ-VYDXJSESSA-N	245.410	4.601	0	10	BJAE	
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Cc1cc(Cl)cc(C(F)F)c1C(F)(F)F	2054887563	UCEUVTIJXFZKAP-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
CC1([C@@](C)(N)CC2CC(C3CC3)C2)CCCCC1	2056649554	YKSNXVGXHLZUMV-PGEKIEPBSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@H](N)C=C2CCCCC2)CC1	2056874993	BQFDMKGMYNBCGP-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
C/C=C/C[C@]1(CNCC(C)C)CCCC12CCC2	2057060547	TVMLDPHBKCYFLA-LAQIPUCWSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@]2(CCN2CC2(C)CCCCC2)C1	2058198489	HLXDXEHFQDNUEP-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
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CCCCC1CC(N)(CC2CC(C3CCC3)C2)C1	2059497816	RIAPETONFSLMNG-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
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CC1(C)CC=C([C@](C)(F)c2cccc(N)c2)CC1	2061136679	BNLCTSAMFFQUHE-INIZCTEOSA-N	247.357	4.590	0	10	BJAE	
CN[C@@H]1CCCC[C@@H]1C1=CC[C@H](C(C)(C)C)CC1	2061151658	UJAPRIUXFIVTTH-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
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CCC(CC)(CC)[C@@H](O)c1c(C)cc(C)cc1C	2061868789	CETVDKFIQQNZKD-INIZCTEOSA-N	248.410	4.862	0	10	BJAE	
CC1(C)CC[C@H](CN[C@@H]2CCCCCC23CC3)C1	2062009003	KCBLHPYBNLIRAH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC23CCC(CC2)C3)CC1	2065334697	HEBSWCQCKOBOHF-RDHHWEPZSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H]1CC[C@]2(C)C[C@H]12	2065651468	BLUMZHGJUSGKLU-QBPKDAKJSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC3=C(CCCC3)C2)C1	2065852198	NKHVOROWUNOTRF-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)CC1C[C@H]2CC[C@@H]2C1	2068778177	ICIWPIDTFGEJRB-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)C2(CC3CC3)CCC2)CCC1	2069510780	GMLSRGRZPSTZRS-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CCCCc1ccc(NC[C@]23CCC[C@@H]2C3)cc1	2070790187	OXYPXYMHYSIZKU-NVXWUHKLSA-N	243.394	4.631	0	10	BJAE	
CC1(C)CCC(C)([C@H](N)C[C@]23CCC[C@@H]2C3)CC1	2070964453	VVDACOMDQXOJAV-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1C)C1=CCCCCCC1	2071501929	AZSLHJGOQGGSBJ-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(C[C@H]2CNC3(CCCCC3)C2)CCC1	2071940193	IINBADWSKOWBEQ-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(CC2CCC3(CCCN3)CC2)CCC1	2071942227	BNGMQMSGLQPCSR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)[C@@]23CCCC[C@@H]2C3)CC1	2072802363	WYAWNDBNQYGWBW-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CC(=O)c2ccc(C)o2)CC1	2072876285	YPHRVSSOEYZDMN-UHFFFAOYSA-N	248.366	4.767	0	10	BJAE	
CCCCC[C@@](O)(CC)Cc1c(C)cccc1C	2073343788	ZGPKRGZRYUZNJF-KRWDZBQOSA-N	248.410	4.567	0	10	BJAE	
CCCNCC(=C[C@H]1CCCC2(CC2)C1)C(C)C	2073792364	XEISSQLCOWVGOE-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@@]12CCCC[C@@H]1C2)C1(C)CCCC1	2074025535	OYZSMVPBXGDJSR-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC[C@@]1(C)CCCN([C@H]2C=CCCCCC2)CC1	2074803877	DXVZIDWXNIRJGD-IRXDYDNUSA-N	249.442	4.778	0	10	BJAE	
CC(C)CN(C[C@H]1C=CCCC1)C1CCCCC1	2076588930	CJYHMINYTAHZQK-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
CCCCc1ccc(-c2cccc(F)c2O)cc1	2077930302	ULQGETICFPBYFD-UHFFFAOYSA-N	244.309	4.541	0	10	BJAE	
CC[C@]1(C[C@H]2C[C@H]2C2CCCC2)CCCCCN1	2079632967	LBGCAQPZQMBPKE-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC[C@H]1C[C@@H]1CCC)c1ccco1	2079667197	VWGJUPGMHGMJKN-SOUVJXGZSA-N	249.398	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)C1CCC2(CC1)CC2	2079844873	WWIONNMHUXJTHP-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@@H]2C[C@H]2C2CCCC2)C1	2079851387	KVRWCWAIMNDYCE-ZBFHGGJFSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C)c1ccc([C@@H]2C[C@H]2C(C)C)cc1	2082715512	QHFCUNJCGZLDEN-COXVUDFISA-N	245.410	4.507	0	10	BJAE	
CC1(C)CCC[C@H](Cn2ccc3ccccc32)C1	2082989732	BYRLVMFHIXWFSP-AWEZNQCLSA-N	241.378	4.858	0	10	BJAE	
CCCN[C@H]1C[C@@H](C2(C)CC2)C12CCCCCC2	2083322413	HPJRQJZTDXSYMM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C/C=C/c1ccccc1	2210662703	SCZJFXZCEKEIJK-ZVXABGALSA-N	214.352	4.916	0	10	BJAE	
CC1(C)CC([C@H](N)CCCCCCC2CC2)C1	2213581494	XDQZAQBDJLNDSZ-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)c2scc(C)c2C)C1	2213677799	PVYTZPKRRRLATQ-NOZJJQNGSA-N	248.391	4.540	0	10	BJAE	
CC1(C)C[C@H]1CCCC[C@H](N)C1CCCCC1	2214778087	VLFNGKXBNXZRRY-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CC[C@H]1C[C@@H]1CC	2215249321	IWDVMOXGPPMQLT-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)C1(C)CCCCCC1	2215337395	ZLPRNLMKDRKYJK-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@@]1(C)CC=C(C)CC1	2215817760	SMAUZGDAOCWPSZ-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@](O)(CC2CCCC2)C1	2216251846	GRFMNTOMBNMERS-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C(CCCC[C@@H]1CCCCN1)CCCC1CC1	2216902710	YDSMGJWLEJJAQB-MRXNPFEDSA-N	237.431	4.659	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC(C)(C)C)C=CCCC1	2217126210	SYJAFZMOROIQBP-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CC(C)C)CC1CCCC1	2217140942	KVXLAQRTMSEZOW-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CN[C@@H](C)CC)CC(C(C)C)C(C)C	2217147785	MMTVUVHEQJKHGL-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCCC1CC(CN[C@H](C)CC)([C@@H](C)CC)C1	2217155412	CDEAMGYNPWUWBC-QRNKSROTSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(C/C=C/c2ccccc2)cc1C	2219076758	UKBMFFCUEOWKMM-JXMROGBWSA-N	236.358	4.868	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@H]1CCC2(CC2)C1	2220029692	DRURQODMUJRJJG-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C1CCCCC(NC[C@@H]2C[C@H]3C[C@@H]2C3)CCCC1	2220032214	CJCPCZSSPGTVFD-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2220642270	IVHULRWNAJIALD-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNC1(C2CCCCC2)CCC1	2220925451	QSUYWWLVACKWHB-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@@H](NC)C2(C)CC3(CCC3)C2)CCC1	2221004783	RCMNGCQCPODHRL-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C2(C)CC3(CCC3)C2)C1	2221006204	KJAJHHPRZAIWIF-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
CC1(CC2(N)CC(C(C)(C)C)C2)CC2(CCC2)C1	2221024210	ZGPLTOBKQPMPAJ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1C(=O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222948549	IZZHOLAAGJAWNN-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2222981064	NDTQQVALIUCDQM-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC1(CC[C@H]2CNc3ccccc3C2)CCCC1	2223662978	QTICCZOFEMFEJV-CQSZACIVSA-N	243.394	4.631	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H](CC)CCC	2244775071	KDUGRYZKDSAPKV-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC)CN[C@H](C)c1ccc(C)s1	2244800327	LWIBJUOVRHODNU-CHWSQXEVSA-N	239.428	4.533	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@@H]1CCCCC12CC2	2246614963	PSVVKTSQMPXHPT-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)C(C)(C)C2CC2)C1	2246657709	UUXBVKAAJKYYOE-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@](C)(N)CCC(C)(C)C	2247172559	AYHDGPYRQYBTLC-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2CCC2(C)C)c1	2247394589	PUIBQYJODPUYGR-AWEZNQCLSA-N	231.383	4.658	0	10	BJAE	
O[C@@H]1CCCCCCC[C@@H]1CC1=CCCCC1	2247496725	KJBDRFQPRFTIPQ-HZPDHXFCSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)CCC1(C)CC1	2248850422	DZPCLXFTIOYBQK-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC[C@]1(CCCCC[C@H]2C[C@@H]2C)CCCN1	2248872719	SVRJRAICGBRHOL-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CCCC(C)(C)C)C2	2250364302	ISHKCRDQSMXBTE-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)CNCC(C)(C)C1CCCC1	2250383576	XMPIMNOBAIRVQE-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCCC[C@@H]1O	2250467363	PVMDECUYHXJKRH-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCC(=O)C1CC(CC(C)(C)C)C1	2251531169	IJECUJFTLFMKNY-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CC(C)(C)CCC1(C)C	2251681083	IMWYCTVGAYYCJQ-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
CC1CC(C)(C[C@]2(N)CCC[C@H]3CCCC[C@H]32)C1	2253653231	CFHVOIYMSOSJRH-VYKNEJCXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CC[C@H]1CCCCC12CC2	2253793848	OIUKUBHEUIRQEQ-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCC[C@H](C=C1CN[C@@H]2CCCC[C@H]2C1)CC	2253795897	UWAMCNGXEVZAMM-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)CC[C@H]1CCCCC12CC2)C1CC1	2253798102	WWJWTUSTCMGCPC-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC[C@@H]1CCCCC12CC2)CC1CCCC1	2253876237	VRNZWKACOJUXHJ-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC1CCC(CN)(CC2CC3(CCCC3)C2)CC1	2254054507	JDFSXDBKBZAPRM-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1CC1=CCCCC1	2255137206	NFWMYVUNIGQFGQ-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
CN[C@H](CCCCC[C@H]1C[C@@H]1C)C1(C)CC=CC1	2257304335	AXUXXTFOYLCLPG-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCC[C@]2(C)CN)CC1	2258807468	AYKFFUXAUNSASJ-BFYDXBDKSA-N	249.442	4.668	0	10	BJAE	
CCc1ccc(CC)c(NC2CCC(F)CC2)c1	2259209123	FLCNEQJCYGAZBF-UHFFFAOYSA-N	249.373	4.504	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)c1ccccc1C1CC1	2259439192	TZMXDTXBXZLQAD-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@@]12CCCC[C@H]1CC2	2260485892	HQSDQVRPBFILSR-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(NC[C@@]23CCCC[C@H]2CC3)CCC1	2260547692	XCVVSMYUHKEICL-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)C[C@]23CCC[C@H]2CC3)C1	2260658714	QTFXTYPEOIUNPU-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@]12CCC[C@H]1CC2	2260674541	VNKZZIKLLXEXNM-TWMKSMIVSA-N	249.442	4.645	0	10	BJAE	
C1=C(CNc2cccc(C3CCCC3)c2)CCC1	2260727502	PURXRPVNALDICL-UHFFFAOYSA-N	241.378	4.866	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1C)CCC(C)(C)C	2298128087	SOEFHHUCSKORJW-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)C[C@@]12CCC[C@@H]1CC2	2298721922	DJNKNRJQVZQHDQ-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CCCC1CCC(O)([C@@H](C)CC2CCC2)CC1	2298853585	PFJFOWGCZTVSCB-HLIUYOAVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC[C@@]12CCC[C@@H]1C2	2300469865	WFRMQIFMFCEZBM-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@](C)(N)C1C[C@H](C)C[C@@H](C)C1	2300503068	IPPHSJAVMXEBQQ-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1C[C@H]1CNc1cc(C2CC2)ccc1Cl	2300668864	BTHMBWGUHYNELA-MFKMUULPSA-N	249.785	4.675	0	10	BJAE	
CCC(CC)CCN(C)[C@@H](C)C1CC(C)(C)C1	2300706836	UZRSIKBLNKPKLR-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)CC[C@]1(N)CC[C@@H]2CCCC[C@@H]21	2300706983	WOSXYFQTFPCYFI-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCN[C@@H]1CC(C)(C)CCC1(C)C	2300863578	QMKNRBYDSBBODC-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@H](NC)C1(C)CCC(C)CC1	2300896084	FDNZTOVBQTVVKX-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)CCCC(C)C)C1CC1	2300911299	IPCZDPVJLWXYIT-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)CC1(CC)CC1	2302575684	AGRNIIIYTKHAGP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCC[C@@H]1C[C@H]1C	2302610916	NOJLWUZKQKNLQG-QLFBSQMISA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@H](CC2(CN)CCCCCC2)C1	2302900279	CSIRMRMSTJEICP-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@@H](C)N(C)C[C@@H]1CC[C@H]1C(C)(C)C	2303496698	SHMSAWIKRHOXIS-QLFBSQMISA-N	239.447	4.569	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)C(C)(C)C(C)C)CC1	2303585482	XUSXKPIPPQAQQZ-CABCVRRESA-N	237.431	4.523	0	10	BJAE	
CCC(CC)[C@@H](CC[C@@H]1CCC(C)(C)C1)NC	2304412098	RCTFLMPLMBISIB-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)C(=O)C[C@](C)(F)C(C)(C)F	2307668959	YNVWRXWMYSIYGH-AWEZNQCLSA-N	248.357	4.638	0	10	BJAE	
CC[C@H](c1nc([C@@]23CCC[C@@H]2C3)cs1)C(C)C	2307688462	OOOMRFYMIRQPSS-TYNCELHUSA-N	249.423	4.734	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1(C2CC2)CCCC1	2307828649	LHNVLKPZXDNZBZ-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)c1cc(C)ccc1C	2307840057	AZXLOKVMLZAPER-GDBMZVCRSA-N	234.383	4.553	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H](CCC)C(C)C	2307905848	ZWURFQYQPWFIPU-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)CC1	2309402273	OHDXJOHTMHOVMY-JHJNDJDLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@H]1CC)C1=CCCCCCC1	2310970694	FNNGEMSKFUPMTL-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C[C@@]12CCCC[C@@H]1C2)C1CCCCC1	2311145669	FAWVTAWHTSLFHC-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](C[C@@H]1C=CCCCC1)NCC	2311511643	DSNZPUBRKUVEQV-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C(N)(CC2CC2)CC2CC2)CC1	2315449237	MGTGYRZBMYQJCM-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1CCC[C@@H]2C[C@@H]12	2316880484	JYUYZXFNPBGECZ-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(CC)CC(C)(C)Cc1ccccc1	2317286468	AUGCIODLHSGKIJ-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
OCC1(CCCC2=CCCCC2)CCC=CCC1	2318570976	ZURGZMWCUOPSHJ-UHFFFAOYSA-N	248.410	4.766	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@@H]1CCCC12CCCC2	2318975496	BPVUNCHJXAQXPR-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCC1CC(CC(=O)CC[C@H]2CC[C@@H]2C2CC2)C1	2319691038	WYYPNAYMDVOXOG-IDQHFDBOSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCN(C)CCC1=CCCCC1	2320024828	YAYSYOGCJSUUFZ-DOTOQJQBSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@H]2CC23CCCCC3)CC1	2320388262	OFSIZZFFFXBIHD-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC(C)=C(C)C1)C1CCCCC1	2320406938	UZYPCNDOYQVKDT-IAGOWNOFSA-N	249.442	4.824	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@@H]2CC[C@H]3C[C@H]23)CC1	2320409698	XKORXTRHLWGTAX-WBTNSWJXSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)CCC2CCCC2)CC1	2320416683	MLARLKMKBBDFLF-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2cccc(C)c2C)CC1	2320422153	ZHGQMNMCMNKWOO-INIZCTEOSA-N	243.394	4.852	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CC[C@H](C)C[C@@H]2C)c1	2321091050	HBGIYZNWAUWETN-MQIPJXDCSA-N	249.373	4.625	0	10	BJAE	
Cc1ccc(C)c(NCC[C@@H]2CCC(C)(C)C2)c1	2321532337	UDODWRPFVUZHIW-HNNXBMFYSA-N	245.410	4.932	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccc(Cl)c(Cl)c1	20565848	NBNHYOJGTAFTJC-BDAKNGLRSA-N	246.181	4.840	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H](c1ccccc1)C(C)(C)C	36994698	NYZDGDHIMCUIFK-HOCLYGCPSA-N	247.426	4.798	0	10	BJAE	
CC[C@H](C)N[C@@H](C)c1sc2ccccc2c1C	37186588	KHXPZQSMIZJVCF-JQWIXIFHSA-N	247.407	4.659	0	10	BJAE	
CC[C@H](Nc1cc(Cl)ccc1C)c1ccco1	54082387	BOIZYVYWSPWSPU-LBPRGKRZSA-N	249.741	4.805	0	10	BJAE	
CC(C)c1ccc(OC/C(Cl)=C/Cl)cc1	92026237	AOWXWVJQOZCMBW-XFFZJAGNSA-N	245.149	4.508	0	10	BJAE	
CCC(CC)[C@@H](CNC(C)C)c1ccccc1C	94675318	TYXFOYURVYOFFF-QGZVFWFLSA-N	247.426	4.513	0	10	BJAE	
CCCC[C@@](CC)(CO)CCCc1ccccc1	97149831	VJBVQRCVIQTDPF-QGZVFWFLSA-N	248.410	4.588	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCCCc2ccccc21	109946652	JAJQRXAJEHHFBW-YOEHRIQHSA-N	245.410	4.622	0	10	BJAE	
CCCCCC[C@@H](C)NCc1ccccc1CC	112933990	CWMFABXEFOLQRO-OAHLLOKOSA-N	247.426	4.698	0	10	BJAE	
CCCCC[C@H](N)c1cc2sccc2s1	125443388	OQWGGAWJZYKLGD-VIFPVBQESA-N	239.409	4.543	0	10	BJAE	
CC(C)CCCC(=O)[C@@H]1CCCc2ccccc21	128186560	ALQASPQFZTUHFB-MRXNPFEDSA-N	244.378	4.502	0	10	BJAE	
Cc1ccc2oc([C@@H](O)CCCC(C)C)cc2c1	139177115	ZTFMFMFAISUPDE-AWEZNQCLSA-N	246.350	4.601	0	10	BJAE	
Cc1cc(N[C@@H]2CCC(C)(C)C[C@H]2C)ccc1F	155945645	YZFVATSHGQVNEQ-IUODEOHRSA-N	249.373	4.761	0	10	BJAE	
Cc1cccc(C(=O)C2CCCCCCC2)c1	158859051	ZXZHOOJTCSWZGO-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCCC1CCC(N[C@H]2CCC[C@H]2CC)CC1	164066225	UFWQRCHNVIYJQM-KNIAUWFNSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(C(=O)CC2CCCCCC2)c1C	165220474	KTUMHRCAFYTHAP-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CCCC(CCC)[C@@H](N)[C@@H]1CCCC[C@@H]1CC	166911155	YKHOAFVEWKQEBM-NUEKZKHPSA-N	239.447	4.747	0	10	BJAE	
CC(=O)c1ccc(-c2cccc(C)c2)cc1Cl	167258850	NVTGQIXNFNVLLW-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CC[C@@H]1CCCCN1Cc1ccc(C(C)C)cc1	199887534	NXSHNEAIKAZOKY-QGZVFWFLSA-N	245.410	4.575	0	10	BJAE	
C[C@@H](C[C@H](O)C1=CCCCCC1)CC(C)(C)C	203412202	GRNZSUUGWBZWHH-ZFWWWQNUSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@@H](C)c1ccccc1	232996395	TWQIKPHVRATRDY-ZMSDIMECSA-N	247.426	4.724	0	10	BJAE	
O[C@H](CCC1CCCC1)C1=CCCCCCC1	236540991	WOLFAVGXRSTMNW-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H](c2ccccc2)C(C)(C)C)C1	252147277	OCCUONZXDWQSHM-VNQPRFMTSA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(C(C)C)cc1-c1nc(C)c(C)s1	259254001	KNVNFVPMSKWPST-UHFFFAOYSA-N	245.391	4.859	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1cccc(CC(C)C)c1	302334817	ILAFPLKPQALNMA-YOEHRIQHSA-N	248.410	4.745	0	10	BJAE	
CCCC[C@@](CC)(CCCC(C)(C)C)C(=O)O	304143777	KBIALAPVGONCLE-HNNXBMFYSA-N	242.403	4.874	0	10	BJAE	
CCC[C@H](Nc1ccc(C)cc1Cl)C1CC1	304367446	UDGGVTFSPBWUNX-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
CCC[C@H](CC)Nc1cc(C)c(F)cc1Cl	304415915	YWDUHEWNFBMRQS-JTQLQIEISA-N	243.753	4.778	0	10	BJAE	
C[C@H](NCC(C)(C)C1=CCCC1)C1CCCCC1	308752651	CPIDHZWYWUGHIL-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC1(C)CCC1)NCC	310498931	IUDCUUQWPQMFSP-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@@H]1N[C@H]1CCCC[C@@H]1C1CCCCC1	310783389	PIVLMSJULSYRKV-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC(C)(C)C)CC[C@H](C)C1	318088247	WZBFKJUHFWXBQN-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCCC[C@H]1C)C1CCC1	322448515	HJYSSVHVBYACIN-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)C(=O)C[C@@H](C)C1CCCCC1	381876022	MKKAYEPWOCOHDG-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@@H](C)CC(C)C)NC	382668001	YBQHXESUGHQSQO-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCC[C@@H](C)[C@@H]1C	383521379	KPNOWILTCIFTRG-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCC[C@@H]1Nc1cccc2ccsc12	386217473	IYTRERYOANWWOO-JQWIXIFHSA-N	231.364	4.502	0	10	BJAE	
CC[C@H](NCC(C)(C)C(C)(C)C)C1CCCC1	387479462	CHACHMPKPDBNOE-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(C[C@H]1CCC[C@@H](C)C1)C(C)(C)C	395414479	JGDRHUCGDHCQAD-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CCc1csc2ccc(SC)c(CC)c12	396180444	ZIGQNEATUVENJP-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1ccc(C(F)F)c2scc(C)c12	396197766	JBSBBMWSUPDFBN-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
Cc1ccc2c(C(F)(F)F)csc2c1S	396292236	CRDKDTXEUUWSRB-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC[C@@H](Nc1cccc(F)c1C)[C@H]1CC1(C)C	397619055	DDRJZBRCEJNHBZ-IUODEOHRSA-N	249.373	4.761	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	403335748	FBPFMEVNVHUKSS-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCCC1CCC1)C1CCCCC1	688355606	IWZCIZRBURMTBE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H]3C[C@H]32)cc(C)c1Cl	690267164	NYEMROJAUWFUOR-MRVWCRGKSA-N	249.785	4.557	0	10	BJAE	
CC1(C(=O)c2ccc3sccc3c2)CCCC1	691824525	ZTTFYNODJQJVSI-UHFFFAOYSA-N	244.359	4.664	0	10	BJAE	
N[C@H](CCC1=CCCCC1)[C@H]1CCCC2(CC2)C1	695944029	IRDFMTTZCHPRKW-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CC(F)(F)C(C)(C)CCC1=CCCC1	697073061	AKMXKRLAWWHPPX-UHFFFAOYSA-N	202.288	4.558	0	10	BJAE	
CCC(C)(C)CC(=O)CCCC(C)(C)C	697247704	GCBOSKWFHOCFJW-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
C[C@@H]1CC[C@](C)([C@@H](N)C2=CCCCCC2)C1(C)C	699015219	VCAYUHCSLMPCMW-UKPHBRMFSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cccc(C(C)C)c1	701545338	FMZJVMGVYMQEQK-CJNGLKHVSA-N	234.383	4.670	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CCC(C)(C)CC	704827355	IJSGVIVMUNQQBG-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@@H]1CCCC[C@H]1C	704916727	IGUYVBKULJELTK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H]2CCCC[C@@H]2C)c(C)c1	704920472	BLHCZNVORIHPSC-WFASDCNBSA-N	244.378	4.621	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(N)(C2CCC2)C2CCC2)C1	705332098	AZFFWZLNZVNNPL-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CC2CCCCC2)CCCCC12CCCC2	707766734	ODEYYOYBWVSGTI-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@@H](C[C@H](C)CC(C)(C)C)C1	709110871	ZRUTYFLBVHSREV-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@@H](O)C1(C)CCCCC1)CC(C)(C)C	709127655	DOPFDLJCNLCVSS-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccc(OC(C)(C)C)cc1Cl	709893376	PHOXYVOXBRSCEG-UHFFFAOYSA-N	226.747	4.641	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1ccc(C)c(C)c1	711243741	BQVJTFCCQHDDQT-OAHLLOKOSA-N	233.399	4.520	0	10	BJAE	
CCC(C)(C)CCC(=O)c1cc(C)cc(C)c1	711295702	LLAZGSFPLYCVKK-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(O)C1CCCCCC1	713033089	UCXHWOXSBJGSEK-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC(C)(C)c2sc(C(C)(C)C)nc21	713092931	CQMYGJCXLQZHTJ-SECBINFHSA-N	237.412	4.616	0	10	BJAE	
CC(C)C(C)(C)C[C@H](O)c1ccccc1C1CC1	713170046	GJDSIKQZILZBQC-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CC[C@@](C)(CNCC(C)C)CC(C)(C)C(C)C	713224060	YJCQOSSGBSDXAL-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(CC(C)(C)C(C)C)C1	713228363	PGVOBWMULDUFJJ-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
C=C/C=C/CC[C@@H](NCCC)C1CCC(C)CC1	713750724	YLOQMKMERSHTQB-LQJDWPSLSA-N	249.442	4.703	0	10	BJAE	
C/C=C/C[C@H](C)c1c(F)cccc1Cl	714554431	GUDBRFZHMYDGIF-NWALNABHSA-N	212.695	4.549	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCCCCC2(C)C)C1	718990383	TYONPCSNRZBXSP-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
c1ccc(CSCC2CCCCC2)cc1	1472970417	DKFTTXNXRFJIPT-UHFFFAOYSA-N	220.381	4.500	0	10	BJAE	
C[C@@H]1CCCC[C@H]1COc1ccccc1Cl	1559326323	ATLCYXDUKFUEMH-NEPJUHHUSA-N	238.758	4.545	0	10	BJAE	
CCCC[C@H](CC)NC[C@H]1CCC=CCCC1	1665881591	ZVTCUJOLKPGGQA-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCCC[C@H]1CC	1900840461	NESCCZYODYLEQK-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
Cc1cc(-c2ccc(C3CCC3)cc2)cs1	1901896239	RHXSANUVMKKPEW-UHFFFAOYSA-N	228.360	4.991	0	10	BJAE	
Cc1ccsc1-c1nc([C@H]2CC2(C)C)cs1	1901912510	QAOSODPUHAELRR-SECBINFHSA-N	249.404	4.694	0	10	BJAE	
CCc1cscc1N[C@H]1CCC[C@H](CC)C1	1902380605	DQSMLKXZIHBKRZ-AAEUAGOBSA-N	237.412	4.691	0	10	BJAE	
CCCC[C@@H](N)CCC[C@H]1CCC(C)(C)C1	1903422628	QZWADAMEXODBJD-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
Cc1sccc1OC[C@@H](C)C1CCCCC1	1904943137	SDOUSFSXAKMXBA-LLVKDONJSA-N	238.396	4.652	0	10	BJAE	
CCC[C@@H](CC)CC1(N)CCC(C)(C)CC1	1905357798	CUTAHLUPZUYQAS-CYBMUJFWSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1C[C@H]1CC)C(CC)(CC)CC	1906210367	ALAILPDZIZNHFW-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CCC[C@@H]1C[C@@H]1C)CNC(C)C	1908571875	RFYQUPXZAIZMSN-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1CCC[C@@H]2CCCC[C@H]21	1912113283	CZAVKNBFLXMWSW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)C2CC3(CCCCC3)C2)C1	1912641074	PZBUPMCXGZMBQF-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(N[C@@H]2CCC3(CCCC3)C2)c1	1916428087	SZLGYVLMCWBLJB-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CCC[C@H](C)[C@](C)(O)c1ccc(C(C)(C)C)cc1	1919632044	UZQMATMSNYMYCQ-GUYCJALGSA-N	248.410	4.628	0	10	BJAE	
CCCc1ccccc1[C@@](N)(CC)C[C@@H](C)CC	1920200700	DFTSMHMCMAUWSE-WMLDXEAASA-N	247.426	4.639	0	10	BJAE	
CC[C@@H](C)C[C@](N)(CC)CCCc1ccccc1	1920206300	LRVDQURXGKAIGF-WBVHZDCISA-N	247.426	4.553	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@](N)(CC(C)C)c1ccccc1	1920475764	CXVYIPAQGHLMKK-UXLLHSPISA-N	247.426	4.569	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C1CC2(CCCCC2)C1	1921432400	JTLGWCOFFIOBFY-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@](C)(CN)C1CCCCC1	1924097545	CECQSPYTRYKTPC-ZBFHGGJFSA-N	239.447	4.604	0	10	BJAE	
CC1(C)CC[C@H](CN)[C@@H](C[C@@H]2C=CCCCC2)C1	1925892593	OQTQVKRSAVJNCG-OAGGEKHMSA-N	249.442	4.524	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)[C@H]1CCCC[C@H]1C	1925893653	VENSXDCWOYSOJR-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@H](CC1(C)CCCCC1)NC	1926383686	MMXNBFOWICKKEA-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Clc1ccc(C[C@@H]2C=CCCC2)cc1Cl	1932607985	YJBLJQYQZCQTJI-SNVBAGLBSA-N	241.161	4.892	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CC1(C)CCCCC1	1935624114	YVBKEEITFGKEHI-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCNc1cccc(Cl)c1	1935938507	YYYGIJDAWYDXLN-LLVKDONJSA-N	237.774	4.578	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H](O)CCC1CCCCC1	1940856999	SJLHEDVDVARKNI-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
Oc1ccc(Cl)cc1-c1ccc(C2CC2)cc1	1941557657	ACGJCKZOWQFFKR-UHFFFAOYSA-N	244.721	4.590	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)c1sccc1C1CC1	1942504790	ZFVISRLSCCAGEA-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](C)[C@@H](C)CNCC(C)C	1942665388	XWFOSMWSIGHLDK-JYJNAYRXSA-N	241.463	4.577	0	10	BJAE	
CCC1(CC(=O)C2C[C@H](C)C[C@@H](C)C2)CCC1	1943048182	XLQQBQXBFJJPLM-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CC(C)(C)CC2(CC2)C1	1943083787	QUBMEALFKZMXBK-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)C(C)(C)C(C)C	1944667198	ZZPMRGLSDFFTHQ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H]1CCC[C@H]1C)CC(C)(C)CC	1944847135	VBHUHTSWGHLGAL-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc(C)cc1C	1947460857	LMHRGYWDGZZGHE-GDBMZVCRSA-N	231.383	4.684	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccccc1CC	1947463658	PJDBHEKXWZCHIA-GDBMZVCRSA-N	231.383	4.630	0	10	BJAE	
CCCC1(CN[C@H](C)[C@H](C)CC(C)C)CCC1	1948325862	GAWYBTAAOBATOS-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C1CC(C)(CC)C1	1948405883	SNTYSUUKKGDLAQ-CIDNJEQPSA-N	240.431	4.780	0	10	BJAE	
CC(C)=CCC[C@]1(N)CCCC[C@@H]1C(C)(C)C	1949025458	VTZJCAYCQUYQTB-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CC[C@@](O)([C@@H]1CCC2(CCCC2)C1)C(C)(C)C	1949431150	AWEMYEXONNLIHZ-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)[C@H]1CCC(C)(C)C1	1949515429	ANJJJWJFCVLTOW-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC(C)(C)C1)C(C)(C)C	1949825431	MFTHDVBEFLBPDD-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCc1cccc(-c2ccc(C(C)=O)s2)c1	1950544663	YIEHEYNPCBVQAV-UHFFFAOYSA-N	244.359	4.570	0	10	BJAE	
CCCC[C@@H](C)NCC1CCC(CCC)CC1	1968585988	OWRZJVAYAHUYEM-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)C(=O)C1(C(C)(C)C)CCC1	1989453019	HQEHQYWXFLUTRM-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC=C(CC)[C@@H](NCC)[C@@H](CC)CCCC	1992049836	RKVSNTTVRUJOMV-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)C1CCC(C)(C)CC1	1996595621	XLBFNFKCTRUFSD-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)CC[C@@H]1CCCC1(F)F	1996616799	NJTWFSRBUBKXIU-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC[C@H](NC[C@]1(C)CC=CCC1)c1ccsc1	1997584996	ATAILAUUNKSJQT-LSDHHAIUSA-N	249.423	4.535	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@H]2CCCC(C)(C)C2)C1	2000099958	RPAXNZWNONLORM-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(O)CCC2CCC2)C1	2002998715	NPDRFZJQEHEGKK-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@](C)(N)CCCC2(C)CC2)C1	2003019330	WYRNARPMSHERRY-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
O=C1CCCCCCC[C@@H]1CC1CCCCC1	2003069777	DCQHWFQYENEUID-OAHLLOKOSA-N	236.399	4.886	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@H]1CCCCC12CC2	2005598224	BTDLYUICMFBKNT-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
FCc1ccc(NCCC2CCCCC2)cc1	2007026211	MCXZLWZERCPUHM-UHFFFAOYSA-N	235.346	4.538	0	10	BJAE	
CCC(C)(CC)C(=O)C1(C)CCC2(CC2)CC1	2007683528	QEVCXEFLMKGFHA-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2CC=CCC2)CC1	2009411190	OFCBYCLRLUISOF-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC=CCCCC1(N)CCCCCCCCC1	2009571363	GAWHZNIVNLHKIL-UHFFFAOYSA-N	237.431	4.955	0	10	BJAE	
C/C=C/CCC[C@@](C)(CCCC)CNC1CC1	2009630450	XRTIOJRLLRRFRY-MQDFFIGUSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1CCC12CCCC2	2013271081	ONOHMDURIBPLDC-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCCCC(C)(C)NC[C@H]1CCC[C@H](CC)C1	2013532570	HCYMINJWSGMCEA-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC=C=CCCN[C@H](CC)c1cccc(Cl)c1	2014189826	QCLVRAJVKPSBEO-KZXRREANSA-N	249.785	4.502	0	10	BJAE	
CCCC[C@](C)(O)c1sc2ccccc2c1C	2014295024	WZQHQAJEBQSOTP-HNNXBMFYSA-N	248.391	4.607	0	10	BJAE	
CC(C)(C)CC1CC(N)(CCCC2(C)CC2)C1	2014658601	SJEMBWIDYGESMD-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@H]2CCC3CC2C3)c(C)cc1Cl	2015648225	NWGUCDWLPUNTDS-YIZWMMSDSA-N	249.785	4.557	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2CCCC[C@H]2C)CCC1	2017129091	KWAVTLCEIZMEOU-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CNC12CCCCC2	2017314771	AOBJHGSAAOORCI-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC1CCC(C[C@H](O)CC(C)(C)CC)CC1	2017648571	ODDAEJZQVXPVQF-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)[C@H](NC)[C@H]1CC[C@H](CCC)CC1	2017655319	LZWZRDQHBBIHGM-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@H]1CC[C@H](CC)CC1	2017702787	ZMUXIIDLBYFLGJ-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](C[C@H]1CC[C@H](CC)CC1)C(C)(C)C	2017727567	BHZCETFTFVIFBQ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)NC1CC2(C1)CC2(C)C	2018128453	ASRMJCCTDXXBLS-HLIUYOAVSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CC[C@H]2CC[C@H]1C2	2018131171	MZVLETXEOLAIHW-QXSJWSMHSA-N	237.431	4.514	0	10	BJAE	
CCC1(C[C@@H](O)C2(CC(C)C)CCCC2)CC1	2018964735	KKKCIMLFKKKEOW-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)CC2(CC)CC2)CC1	2019000933	UFKCRLMDVDQJLG-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@H]1C=CCCCC1	2019503727	RXTKLKOGIINIGY-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@H]1CC[C@H](CC)CC1	2020964168	FNTJMAMPZUDXJH-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@@H]1CCC[C@@H](C)CC1	2022556370	FMBUBODWYPEMHQ-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CCCCCC1CC1)[C@H]1CC[C@H](N)CC1	2023552627	XHEQJNLJODRTLI-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@@H](C(C)C)C1	2025587163	CUHDWAFJCLSLIR-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC[C@H]1CC1(C)C	2026081947	NGIOIXIRNADJOV-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CCC(C)(F)F)NC	2026170996	UBWLRGHWPGIANN-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCNCC(=CC1(C)CCC1)C1CCCCC1	2026883295	DFGJHMOHVUTXBS-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)CCC[C@@H](O)Cc1ccccc1C(C)C	2027442457	LKDNZQKICSZYKJ-MRXNPFEDSA-N	248.410	4.540	0	10	BJAE	
CC(C)c1ccccc1CC(=O)C1(C)CCCC1	2027499928	SPHRRLCOJDBOKD-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)C1CCC(C)CC1	2028899584	ZONDXBUBYUTOTM-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1C(=O)CC1C[C@@H](C)C[C@H](C)C1	2031820127	WODBMAPXFNSRPK-STQMWFEESA-N	244.378	4.640	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1Nc1cccc(C2(C)CC2)c1	2032244880	FYRLGUINCGLLEW-CJNGLKHVSA-N	243.394	4.729	0	10	BJAE	
CC(C)c1ccc(C(=O)C[C@H]2CCC[C@@H]2C)cc1	2032482777	CFTZXBCHBCEDQH-XJKSGUPXSA-N	244.378	4.819	0	10	BJAE	
CC(C)c1ccccc1OCC1[C@H]2CCCC[C@H]12	2032782758	KKELBCGEPWPYIP-GJZGRUSLSA-N	244.378	4.625	0	10	BJAE	
Fc1ccccc1NC1CC(C2CCCCC2)C1	2033829065	DJYCWLUSGJQGKF-UHFFFAOYSA-N	247.357	4.597	0	10	BJAE	
CC(C)NCC1(CC2CC3(CC3)C2)CCCCC1	2036732174	OWIONNQDZMDQTI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(c1cccc(C)c1)C1CCCCCC1	2037101282	XOYLFRUYEDTZRF-KRWDZBQOSA-N	245.410	4.529	0	10	BJAE	
CCN[C@H](CC1CCC1)[C@H]1CCC2(CCCC2)C1	2037579598	JPXHFNUKGSDWMA-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C(=O)[C@H]1CCC(C)(C)C1)c1ccccc1	2037679180	PTIKCOAFAPTTOY-LSDHHAIUSA-N	244.378	4.576	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)CC1CC(C)(C)C1	2037976340	JLIFJPVXRVMZCT-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
O=C(CC[C@H]1CC2CCC1CC2)CC1CCCC1	2038111989	HNVQVFUCXMGHFM-GPANFISMSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](N[C@H]2C=CCCCC2)C1	2039032406	NAIZKLMYXQCAMO-YESZJQIVSA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@H]1CC[C@H](C)C1	2040172652	NRGYPUIYKKGLJT-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)c1cc(C)cc(C)c1	2040726566	VIFMPBPBGSOFGK-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CN[C@H]1CCCC2(CCCCC2)C1	2040765322	OSGXHQXYEDUTOX-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H](C)c2ccoc2)CC1	2041500029	RPXNMUSLELJIRB-FMKPAKJESA-N	249.398	4.679	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(CNC(C)C)CC=CC2)C1	2042091885	PQUKQGOOYHCBNC-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC=CCCC1)[C@@H]1C[C@@H]1C	2045324803	ZCLBQTAMTLBGFX-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
O=C(CCCC1CC1)c1ccc(C2CCC2)cc1	2045607360	PQMXWGCDGAOIPF-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC1(C)C[C@H]1CCC1(N)CC2(CCCCCC2)C1	2046232890	FKXLAXMBXAOMFP-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCN([C@H]2CCC(C)(C)C2)c2ccccc21	2046581083	JVPRWLVUYBQGJL-KGLIPLIRSA-N	243.394	4.579	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1C[C@H]1CC12CCCCC2	2047015398	IOTBYWMPHBIMJI-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
O=C(CC1=CCCC1)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047427360	NQGWIRNPXCMUOJ-OWCLPIDISA-N	246.394	4.662	0	10	BJAE	
CCc1ccc(CC)c(NCC2(C)CC=CC2)c1	2047721226	LWGKDZTVWNYUPP-UHFFFAOYSA-N	243.394	4.580	0	10	BJAE	
CCC(CC)C[C@]1(CNC2CC2)CCC12CCC2	2047948759	YDQVYZQKZWHQKY-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@H]1[C@H]2CCCC[C@H]21	2048364336	XQNJEKMYLUNHEL-PNBKFKSVSA-N	246.394	4.518	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@@H]1[C@H]2CCCCC[C@H]21	2048469487	YPGHIRMOJMSKDV-FVQHAEBGSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)C[C@H]1CCCC2(CC2)C1	2049846114	PXIXMYYOQUQFCO-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H](CC1CC(C)(C)C1)[C@@]1(C)C=CCC1	2050005754	ILDHEJZJJQYPCM-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@@H](N)CC[C@@H]2C=CCCCC2)cc1	2050432756	XVZFSSCRNTZGFU-WBVHZDCISA-N	243.394	4.521	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)C2(C)CCC2)c(C)c1	2052348873	MZVHNQLLSSBWFO-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCCC12CC2	2053306097	MMBMJJRFIOBVHG-OAHLLOKOSA-N	243.394	4.692	0	10	BJAE	
CN[C@H](CC1CCCC1)[C@@H]1CCCCC12CCC2	2053411499	KDEMZMGUXVJMCH-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@H]2CC3CCC2CC3)C1	2055123694	LHRPYALXXNVVGW-PHXIIHMKSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(CNCC2(C3CC3)CCCC2)CC1	2057605175	ZSHUPIJXFRNHLW-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CN[C@H](CCC1(C)CC1)[C@]12CCCC[C@H]1CCC2	2059172464	NOSKOBQKJVIAMD-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@]12CCCC[C@@H]1C2	2059177758	MDKJWWNANMFDMN-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H]1CC[C@H]2C[C@H]2CC1	2059251882	COQHTACPZXHUAS-DDBYYKKRSA-N	249.442	4.537	0	10	BJAE	
CCCCCC1CC(NC2C[C@@H]3CCC[C@H]3C2)C1	2059392506	SCGTVXBFBXBYIK-PYBGIAKNSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@H]1CC[C@H](C)CC1	2060925458	LAOBZLBWWJASNH-NXNVCVFFSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(O)CCCC23CCCC3)CC1	2061101320	FRUKSQUFGQNGCM-PBHICJAKSA-N	248.410	4.598	0	10	BJAE	
C=C=CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCC	2061564135	WHUKSMSZVLANJH-OAGGEKHMSA-N	249.442	4.548	0	10	BJAE	
O[C@@H](CC1CCCCC1)CC1CC(=C2CCC2)C1	2061683585	ZMWVCHOUUUMXSK-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)C1CC(=C2CCC2)C1	2061734692	PXFRJGZPBUECLH-CXAGYDPISA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1CC(=C2CCC2)C1)[C@@H](C)C(C)C	2061740879	DWCFWVHJTMBTPO-SUMWQHHRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CCCN[C@H]1CCCCCC12CC2	2062017160	MVBDKQXGZZXHPQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)CCC[C@H]1C[C@H]1C	2062605926	AQTANCQDRRSCIH-QSJFSLAZSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)c1cccc(C2CC2)c1	2062631922	USBKKCSWMYQPQD-TZMCWYRMSA-N	242.362	4.573	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063500467	IHQPLUQNMGSHPB-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)C2CC3(C2)CC3(C)C)CCCCC1	2064002695	PFRVPMGIDAYEGT-UUCFBXCCSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](NCCC23CCC(CC2)CC3)C1	2065258288	HRJPJKONLJXFJH-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1[C@H](NC2CCC3(CCCCCC3)CC2)[C@@H]1C	2065897392	OLNSPJPPUJUMMF-MIFYACCESA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(C=C2CCN[C@@H]2C(C)(C)C)CC1	2067828727	WHPAYUPLDTVKQG-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)[C@H]1C[C@@H]2CC[C@@H]2C1	2068807161	IGDKAVJCEQTAPM-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCC1(CC(=O)c2cc(C)c(C)cc2C)CCC1	2069283431	SDLLWCOIJJXSQJ-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CCCC1(C[C@@]2(CNC)CCCC23CC3)CCC1	2069342812	SNLLRXIZLRAUAX-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCCC1CCC(C[C@@H]2CC=C(CC)[C@@H]2N)CC1	2072807752	ZIJSVCMLAYQDDL-LCSXWQTCSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC1CCC(CC)CC1)C1CC=CC1	2072808327	FRSPNQAFNYRNKL-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc(NC[C@@]23CCCC[C@@H]2C3)cc1	2074047942	TWMZVJLIPFBOPY-WBVHZDCISA-N	243.394	4.631	0	10	BJAE	
CCCC1(CC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)CC1	2074601235	NHTUZMUUVRZVJH-NWDGAFQWSA-N	246.350	4.556	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CC1)c1coc(C)c1	2074641176	HUXKPUDDMMFRHF-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CCCC1(C[C@@H](NCC)[C@H]2CCC3(CC3)C2)CC1	2074647298	VZNKKLFATJINRV-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N(C)[C@H](C)c1ccccc1	2074793805	AXRSNSJMIOEKMR-HYVNUMGLSA-N	245.410	4.504	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C12CCCC1CCC2	2077198079	XQJYOCUUDWMYCN-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)[C@H]1C[C@H]1C1CCCCC1	2079844093	UAKFQYQOMOFREV-WCVJEAGWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC1C[C@H]2CC[C@@H]2C1	2081779023	LKJNYBUBHRCUPD-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(=C[C@@H]1C[C@@H](C)C[C@@H](C)C1)[C@H]1CC[C@H](N)CC1	2082141322	WDWURVYOCQLGJQ-WNDYTACBSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@H](C=C1CCCNC12CCCC2)CC	2083816288	RRWQEZWTCRSWBR-OAHLLOKOSA-N	249.442	4.825	0	10	BJAE	
C(CCC1CC1)CC[C@H]1CCCNC12CCCC2	2083818117	RVEREZKEIMZMEO-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)c1ccc(C)c(C)c1	2086053775	NIXBHXBDDDFOPK-GUYCJALGSA-N	247.426	4.910	0	10	BJAE	
Cc1csc(C)c1C/C=C/c1ccccc1	2210661981	IAQXZRGSWQIJLA-RMKNXTFCSA-N	228.360	4.621	0	10	BJAE	
CCC[C@@H](C)CNc1cc(C)c(Cl)cc1F	2210736169	AQSVYWSOJYWGKS-SECBINFHSA-N	243.753	4.636	0	10	BJAE	
Cc1cc(-c2cc(C)c(Cl)c(C)c2)ccc1N	2212873941	WYESBTAIPSSAQS-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)c2scc(C)c2C)CC1	2213652729	YKCUBDLEDUZRER-JSGCOSHPSA-N	249.423	4.501	0	10	BJAE	
Cc1csc(C(=O)C[C@@]23CCCC[C@@H]2C3)c1C	2213656240	GPHHCQIQQSRNFQ-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@H]1CCCC(C)(C)CC1	2215107183	YXNLVILEIBKSSD-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC1(CC)CCC(N)(CC[C@@H]2C[C@H]2C)CC1	2215246429	FXPZDSBAUWMTAD-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(N)(CC(C)C)CC(C)C	2215249282	MGYDBICORPVFCM-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@@H](N)C1(C)CCCCCCC1	2215258891	VXIHBZRIJFHAMX-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@H](CCCC(C)(F)F)NCC	2216273471	XKHWLHYSLDHZCX-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C1CC1)C(C)(C)CCC	2216282119	GMAPPWWIZLZNGB-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H]1C(=O)CCCCCCCC1CC1	2216863563	QAIBWJWAWJFHGD-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2C[C@H]3CCC[C@H](C3)C2)C=CCC1	2218378472	RVCOJFBALLWTEA-JYYAWHABSA-N	246.394	4.518	0	10	BJAE	
C(CCCC1CC1)CCN[C@@H]1CCC[C@@H]2CC[C@@H]21	2218718980	UAXKNRHCOADKAO-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CC(=C2CCC2)C1)C1CCCCC1	2220297403	WBCPLETZZCDYNW-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CC[C@H]1CC1(N)CC2(CCC(C)(C)CC2)C1	2220662339	GPJJKULIDWFLOF-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)c1ccccc1C1CC1	2220956748	BHVVPDBIGXTPDF-TZMCWYRMSA-N	242.362	4.573	0	10	BJAE	
CC(C)C[C@H]1CC[C@]1(N)CC1(C)CC2(CCC2)C1	2221037333	CWFFMXJDHNSZOJ-PBHICJAKSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CCC2=CCCCC2)CC1	2221634551	ANKNWLWMDAISIQ-IRXDYDNUSA-N	247.426	4.731	0	10	BJAE	
CC1(C[C@H](N)C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	2222982929	VGSZLBTUGWAHCV-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CCCC[C@H]2C)C=CCC1	2223594035	KGMVYUONADFQNS-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CCN(CC[C@H](C)CCCC(C)C)C(C)C	2244842744	XENQHNVLYBXRIU-OAHLLOKOSA-N	227.436	4.569	0	10	BJAE	
CC[C@](O)(CC[C@@H]1CCC[C@H](C)C1)C1CCC1	2246686993	KWYJKZFFGYHIAC-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CC[C@H]2CCC[C@@H](C)C2)C1	2246693917	KPBBYIFTMZGPLM-BARDWOONSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@H](N)C[C@@H]1CCC1(C)C)CC(C)(C)C	2247444511	BFLFSJUJERAOEA-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
Cc1sccc1C(=O)CC[C@@H]1CCCC12CC2	2247639615	PAMKCWQZOYPWDR-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H](C)C(C)C)cc1	2248168357	PJPYMOUNJIKZBX-CYBMUJFWSA-N	232.367	4.504	0	10	BJAE	
CCC[C@](C)(CCCCC[C@@H]1C[C@@H]1C)CNC	2248854282	OEJMSJOTRLRKFN-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](O)(CC)CCCCC[C@@H]1C[C@@H]1C	2248860150	ZKXQOMPAFQKOOP-ARFHVFGLSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cccc2sccc12	2250353134	RQEDQHLOVPUCDJ-IAQYHMDHSA-N	247.407	4.727	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1CC2(CCCC2)C1	2250387969	UIIDCANVIWJLHJ-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](N)(CC)CC1CC2(CC(C)C2)C1	2250447602	HMSCVYVPSDZLPS-LGGPCSOHSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(=O)[C@H]1CC12CC2	2250470408	ZRMSADAJNAHYHE-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H]1CCN[C@H](C)C1	2250472297	BFKGVRWBDZMGHL-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@@H](C)CCNC1(C)CCCC1	2250528059	LBPRRORUNIJWBN-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)C[C@H](O)CC1CC(CC(C)(C)C)C1	2251585473	YNRONXPEWNQMKU-URGYJCLVSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCN(CC(C)C)CC1CCCCC1	2252636910	XQKWIKCBTOETFN-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
C[C@@](N)(CC[C@H]1CCCCC12CC2)C1CCCC1	2253876223	VPUMNKUQZADEFZ-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
Cc1oc(C)c(C(=O)CCCC[C@@H]2C[C@H]2C)c1C	2254607039	HEUPGXXQSAVQJX-QMTHXVAHSA-N	248.366	4.604	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@H]1CCC12CCC2	2254967198	WFTGOAUTEGECKX-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](C[C@H]1CCC1(C)C)[C@]1(C)CC=C(C)CC1	2255010595	DETPUOOCRYFQOX-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)c1cccc(CC2=CCCCC2)c1O	2255177122	YNBUPXJYKLMPCB-UHFFFAOYSA-N	244.378	4.733	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)CC[C@H]2CCCC23CC3)C1	2255272112	XRTJQHRPQZPYJZ-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCC[C@H]1CCCC12CC2)C1CCCCC1	2255313899	VSRJJALCRBCTLI-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)CC[C@H]1CCCC12CC2	2255317729	MVGDVSLIFNLWJG-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)CC[C@@H]1CCCC12CC2	2255333651	XATXFIBDXAWQJS-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CCC[C@@H]1CC1(C)C)C2	2259460820	SJGRLFOSKFUUNT-OPFKTAGGSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C(=O)C[C@]12CCCC[C@@H]1CC2)C1CCCC1	2260582991	MIIPMTZFFQKDDT-YSVLISHTSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc(C)c1OC[C@@]12CCCC[C@H]1CC2	2260648400	RSXYCRVTILKDHZ-RDJZCZTQSA-N	244.378	4.653	0	10	BJAE	
CC[C@H](C[C@H](O)[C@@H](C)CC1CCC1)C(C)(C)C	2298928257	ZSBQRUWIIKTQBF-CFVMTHIKSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@@](C)(CC)C(F)F	2299837712	GHEHVZGDZNQSFM-SGMGOOAPSA-N	249.389	4.602	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@@H]1CCC12CCC2	2300504403	ZFBMTHSXYAXLEZ-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@](C)(N)CCCC(C)C	2300504581	BQTKKYXEWYHZMO-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(CCN[C@H](C)[C@@H](C)C(C)C)C(C)C	2301711568	SXLQTMJJHYWFSW-LSDHHAIUSA-N	241.463	4.575	0	10	BJAE	
CC1(C)CCC[C@@H](CC[C@]2(C)CCCCN2)C1	2302532652	VZQYHDYWDMSZQW-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](CC)NCCCC[C@H]1C[C@H]1C	2302644110	OCRZGLJGSLFZBQ-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)CCCCC2CC2)C1	2302752885	ITPCIMXIXMRMAK-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)NCC(C)(C)C[C@@H]1CCC(C)(C)C1	2302879094	XCGCKDFXTAFIRJ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC[C@@H]2C[C@H]2CC)CC1	2303566273	KCMXLZRHPUBZLM-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)C[C@H](CSc2cccc(O)c2)CC1	2303576720	ZZDCKEJAJHETPU-CYBMUJFWSA-N	248.391	4.621	0	10	BJAE	
CCC[C@H](CC)CNc1cc(F)cc(CC)c1	2304019574	YRUPVVHVIDZDFO-LBPRGKRZSA-N	237.362	4.626	0	10	BJAE	
CCCCC[C@H](C)NCC[C@@H]1CCC(C)(C)C1	2304421470	YOOVVROLCSHSEU-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@H]2CCCCC23CC3)n1	2307696915	VBDWHXWGQYLNPG-GRYCIOLGSA-N	247.407	4.704	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H]1CC[C@@H]2C[C@@H]2C1	2308125336	DUWCHCQZYSDJAC-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](NCC)C1=CC[C@H](CC)CC1	2311513155	SUXNAELUZAKYLI-SVGFKBNWSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@@H]1C[C@H]1C1CCCCC1	2311518984	ZDRMIJQLLGLFEI-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1ccc(C)c(CC)c1	2314712602	QHPTWRBQDUOGFE-PBHICJAKSA-N	247.426	4.774	0	10	BJAE	
CC(=CC=C1CCCCC[C@H]1N)CCCC(C)C	2316542660	SCUQZXFSUOHVTM-QGZVFWFLSA-N	249.442	4.977	0	10	BJAE	
CC(=CC=C1C[C@H](CN)C1(C)C)CCCC(C)C	2316558335	XLBLTAYDZPORDL-MRXNPFEDSA-N	249.442	4.690	0	10	BJAE	
CCC[C@@H](C)C(=O)CC(C)(C)Cc1ccccc1	2317285849	TUAZFHNVCVAXOZ-CQSZACIVSA-N	246.394	4.651	0	10	BJAE	
C=C=CC[C@H](C[C@H]1CCC(C)=C(C)C1)NCCC	2320415011	WOTGBWWRHSCHMU-DLBZAZTESA-N	247.426	4.612	0	10	BJAE	
CC(C)c1cccc(C[C@H](O)CCC(C)(C)C)c1	2320646230	SXIOTSGTOGPMGY-MRXNPFEDSA-N	248.410	4.540	0	10	BJAE	
CC(C)C(=CCCCN)c1ccc(C(C)C)cc1	2320726233	RUUGUFCZQCAQIL-UHFFFAOYSA-N	245.410	4.588	0	10	BJAE	
Cc1ccc(-c2cc[nH]c2-c2ccc(C)cc2)cc1	5416994	UAEUNFADBINZTG-UHFFFAOYSA-N	247.341	4.966	0	10	BJAE	
C[C@@H](Nc1ccccc1Cl)c1ccccc1	19942590	FUWVSQBMDYXSMK-LLVKDONJSA-N	231.726	4.513	0	10	BJAE	
CCCC1CCC(NC2CCCCCC2)CC1	21514562	FSVFEXZLKIFTSB-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
CCN[C@H](c1ccc(CC(C)C)cc1)C(C)(C)C	35510547	XCCGAPSIMXRPSI-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
CCCc1ccc2nc(C(C)C)cc(Cl)c2c1	36912798	PCSSSHKCNYZXAL-UHFFFAOYSA-N	247.769	4.964	0	10	BJAE	
CCC[C@@H](C)CN[C@@H]1CCCC[C@@H]1C(C)(C)C	36920834	SJHOJPGCACCDCK-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccccc2C(C)(C)C)C1	36956483	CLBPPQJUJIUCFP-KGLIPLIRSA-N	245.410	4.975	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N[C@@H](C)c1ccccc1C	37031964	LULNWQGFXXUKLY-ZOBUZTSGSA-N	245.410	4.614	0	10	BJAE	
Cc1cccc([C@@H](C)Nc2cc(C)ccc2C)c1	37216029	HSQDIYGIZLNLKD-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CC(C)c1cccc(NC(=N)C2CCCCC2)c1	62989498	QESFOURZBNDJTA-UHFFFAOYSA-N	244.382	4.779	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](CCC)NCCC	71085289	KHFMTBWXIBAMOS-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CC(C)C(=O)CCC[C@@H]1CCCc2ccccc21	80384334	WCDURLBMWCUHMN-HNNXBMFYSA-N	244.378	4.502	0	10	BJAE	
CC[C@@H](C)C[C@H](N)C1CCC(C(C)(C)C)CC1	87987047	ZPRZPICNBGQIJX-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)c1ccc2c(c1)C(=O)C[C@H](C)CC2	90486327	SVKWXTHRWAJIPO-GFCCVEGCSA-N	244.378	4.529	0	10	BJAE	
CCCC[C@@H](C)Nc1nc2c(C)cccc2s1	91945857	FPPCIHHJJVQCPN-LLVKDONJSA-N	248.395	4.595	0	10	BJAE	
CC(C)(C)CC[C@H]1C[C@H](C(C)(C)C)CCC1=O	103937271	UEMIMDMAZKOTPA-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)CC(=O)C1(c2ccccc2)CCC1	148021888	XXVDFVOPKDURBQ-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)C1CCCCC1	148240330	GYSMLGLLLFDSJU-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC(C)(C)C[C@H]2C)cc1	155827537	CQUMRTGLFRBKMH-CZUORRHYSA-N	245.410	4.876	0	10	BJAE	
CCCC(CCC)[C@H](N)c1cccc(C)c1C	163523233	ITIVOVVUYMALEA-INIZCTEOSA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CNC(C)(C)C)C1CC1	164236688	JVFJHZKXAKGVHK-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)CC2CCCCCC2)C1	169070525	IRINJTVBHDCUBA-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)Nc1ccc(C(C)(C)C)c(C)c1	201437333	NUSCSIGZZCTURT-GFCCVEGCSA-N	219.372	4.503	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CC[C@@H](C)[C@@H](C)C1	220574820	OSCPEMFCXDPKAF-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CCC(C)(C)C1	225978881	XFGWNVGRHRSBKN-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](O)c2cccc(C)c2C)C1	226984066	CRUIOQJZRLHKIV-YQQAZPJKSA-N	246.394	4.553	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H](CC(C)C)C1)C(C)C	230770481	CIBWLVWLNJJJIV-JYJNAYRXSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H](CC1CCCC1)c1c(C)cccc1C	233567987	LHNSYEGOEQIBHW-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
C[C@H]1CC[C@H](c2c[nH]c3ccc(Cl)cc23)C1	235686730	ROYBLLOOLQGMLD-UWVGGRQHSA-N	233.742	4.725	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C2=CCCCCCC2)c1	235830792	FEQGSRABXSJLSV-QGZVFWFLSA-N	243.394	4.584	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCC(C)(C)C[C@H]1C	250832904	SFXUVZBPJHMTTJ-ILXRZTDVSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CCCC[C@H]1C(C)(C)C	252583640	YFLSXNFGTUTHIF-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C1=CCCCCCC1	300143451	WLMSKCKWPALJKS-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)CC(C)(C)C	300934983	VKMGBYXHCGVEBA-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CCCNc1ccc(F)c(Cl)c1	300970191	ZTUKBFRPXULUHF-UHFFFAOYSA-N	243.753	4.717	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@H](C)C2)ccc1C	302245769	ABGIIWFMTLLARZ-SWLSCSKDSA-N	231.383	4.548	0	10	BJAE	
CNC(CCC1CCCC1)CCC1CCCC1	302300613	ZQIRIHRONBGREO-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NCC)c1ccccc1	308080107	NFEVLMUPLFTPCC-IAGOWNOFSA-N	247.426	4.800	0	10	BJAE	
Clc1ccccc1N[C@H]1C=CCCCCC1	309137308	OKTNXWXIMNFSCT-LBPRGKRZSA-N	235.758	4.641	0	10	BJAE	
CCc1cc(NC2CCCCCC2)ccc1C	310060584	FEVABQNZWUIWTF-UHFFFAOYSA-N	231.383	4.692	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CC2CCC1CC2	310354469	RLUOVSYLZOVJLF-LBDPXKHJSA-N	237.431	4.514	0	10	BJAE	
CC1(CCCC(=O)c2ccccc2)CCCC1	310491720	GBEVZMKRCGYXMR-UHFFFAOYSA-N	230.351	4.620	0	10	BJAE	
CCC[C@](O)(CCC(C)(C)C)C1CCCC1	313411802	PHERRQDJDAVLRU-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCNC[C@@]1(CCCC(C)C)CCC[C@@H]1C	319121884	IGFCFOATSCVKMF-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)CC[C@@H](C)NC[C@H](C)C1CCCCC1	379928179	TUPVUMHFADEQSS-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)[C@H](C)C(C)C	383649871	HGFUONOANJNBLK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)C[C@H](C)C1CCCCC1	384081330	XQBLKQRFOVMPMZ-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCCCCC[C@@H](NC)c1ccccc1CCC	384689207	WMNVGDVVVCMVTF-QGZVFWFLSA-N	247.426	4.870	0	10	BJAE	
Cc1cscc1C(=O)CCC1=CCCCC1	385249008	WSETUPMODZLNQB-UHFFFAOYSA-N	234.364	4.520	0	10	BJAE	
CC(C)C[C@H](C)C(=O)c1cccc2ccsc12	386261622	VSLSQZCZPJCNMN-NSHDSACASA-N	246.375	4.766	0	10	BJAE	
CCC(CC)(CC)CNCCCC(C)(C)C	391169944	FQHHOPHBVZJLRX-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCC[C@@H](NCCCC1CCCCC1)C1CC1	395180156	DUSVJZSHDOAFQP-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C[C@@H](C)C1CCC1	398693206	HISNDNGIPKMQIA-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H](C)C(C)(C)C	399330541	UVBGFGJMWPKXGS-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CNC/C(=C/C1(C(C)C)CCC1)C1CCCCC1	686130108	KUMYRQPSFDHDOI-VBKFSLOCSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)[C@H]2CC2(C)C)c1	689517104	IXHJYVCPSNXFPV-SWLSCSKDSA-N	245.410	4.658	0	10	BJAE	
CC[C@H](N[C@H](C)CC1CCCCC1)C1CCC1	689776142	DUYJLHVBFFSNIM-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CC1CCC(CC2(CNC(C)C)CC=CC2)CC1	690486947	XOZRITBFXOUXLJ-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)CC(C)(C)CC	692164994	SDNOCSYVSGGWEH-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
Clc1cccc(N[C@@H]2CCCC[C@@H]2C2CC2)c1	696050718	QEGJNHVXJVPUCK-HUUCEWRRSA-N	249.785	4.721	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCCC12CCCCC2	701048282	DITJHPFOLYVLIK-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H]([C@@H](C)c1ccccc1)C(C)(CC)CC	701175103	UWFPXQFNWOUXPF-GOEBONIOSA-N	247.426	4.595	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@]1(C)CC1(C)C	702211902	AUJPREBWVITEKO-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@](C)(N)CCC(C)(C)C	704859576	HWPZYMGFYVAKFO-QGZVFWFLSA-N	247.426	4.810	0	10	BJAE	
CCC[C@](N)(CCC(C)(C)C)C1CCCC1	704950752	IAUCWJYJZPVJNS-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@](N)(C1CCC1)C1CC1	705337948	OJSYBJGJCKJYKE-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](N[C@H](C)C1(C)CC1)c1ccccc1	706890039	ZJNHIZMPQLKJAV-ZBFHGGJFSA-N	245.410	4.696	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H](C)CC(C)(C)C	708297491	OHEDSKUQNLTGEI-QLFBSQMISA-N	241.463	4.863	0	10	BJAE	
C[C@@H](COc1ccc2[nH]ccc2c1)CC(C)(C)C	709260191	JSNDUALKOGQLAX-GFCCVEGCSA-N	245.366	4.619	0	10	BJAE	
CC[C@@H](C)SCC(=O)C[C@H](C)CC(C)(C)C	709275669	SGRWUJMUMFVYTK-NWDGAFQWSA-N	244.444	4.550	0	10	BJAE	
CCCCCCC(=O)c1cscc1Cl	710426878	XUWDGQYTKZECQZ-UHFFFAOYSA-N	230.760	4.555	0	10	BJAE	
Cc1ccc(C)c([C@](C)(N)C[C@@H](C)C(C)(C)C)c1	710756473	CDUCIEPTKMUTLP-RHSMWYFYSA-N	247.426	4.550	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C[C@H]2CCCC[C@@H]21	712499914	ATBVVPPEGCPTRP-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CC(C)(C)C(C)C	713142207	HSZNTNVGQDYKTE-GJZGRUSLSA-N	241.463	4.848	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H]2CCCC[C@H]21	714306364	YTANDWUNPSKFEK-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@](C)(C(=O)C2CC3(CCC3)C2)C1(C)C	717540812	HJHSKRBMSUSLJB-BLLLJJGKSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CCCCC(=O)C(C)(C)C	718690276	FWXXFRPWIWOLNT-UHFFFAOYSA-N	210.361	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCC(C)=C(C)C)CC1	718695235	UMWALQWBLWCFFO-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCC)C1(C)CCC1	720786029	GUJIVTHOZMOYBH-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1CCCC12CC2	720995054	YURVMWNHXMKDKR-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)CC1CC(C)(C)C1	723576194	LXCYTGONWABBRV-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCN(Cc1ccccc1)CC(C)(C)C	1473156383	UWSNEQAQFNMZGE-UHFFFAOYSA-N	245.410	4.501	0	10	BJAE	
CC(C)C[C@@H](C)CSC1CCCCC1	1613317401	DVKVOSRDOOIPHG-GFCCVEGCSA-N	214.418	4.735	0	10	BJAE	
CCC[C@H](C)SCc1ccc(SC)cc1	1641102657	HYHSISDOPQRHTE-NSHDSACASA-N	240.437	4.830	0	10	BJAE	
C[C@@H]1CCCC[C@]1(C)NCC1CCC2(CC1)CC2	1643344421	MHWPVKQXEAFTII-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](NCCC(C)(C)CC)C1CCC1	1645234156	HTEMGRJCBYIMRM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C[C@H](SC1CCCCC1)c1ccc(F)cc1	1652477842	GTFGVPAGLOUKKP-NSHDSACASA-N	238.371	4.953	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cscc1CC	1905367221	UTHVYZWTRWKFTO-SMDDNHRTSA-N	239.428	4.527	0	10	BJAE	
CC=CCC1(CNC(C)C)CCC(C)(C)CC1	1911897341	WPPPQTZJZURATP-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)C[C@H]1CCCCCCCC[C@H]1O	1913392766	SIQIGZWDJBMHED-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CCC2(CCCCC2)C1	1915854994	MXEHPCDNDFHFGQ-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@@](C)(O)c1ccc(C(C)C)cc1	1919973363	LQISJVIEMDENFI-QGZVFWFLSA-N	248.410	4.988	0	10	BJAE	
CCCN[C@@H](C1=CCCCC1)C1CC(C(C)C)C1	1921106409	AWJFNMUDLUXXMC-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(CNC2CCC3(CCC3)CC2)C1	1921221643	XCBWCAGGFWZEHT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CC(CC)CC)[C@@H](C)C1CCCC1	1924099742	SSXUEQRKRWPPME-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H](N)CCC1CCCC1	1924125794	OHUAJEOWAFAPPV-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C1=C[C@H](CNCCC2CCCCCC2)CCCC1	1925887841	CZLCFLPRHDLRII-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCCc1ccc(NC[C@@H]2C=CCCCC2)cc1	1925930187	NFCVCGHNEMLFPQ-MRXNPFEDSA-N	243.394	4.797	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cccc(CC(C)C)c1	1926379108	BRLXPTDUWZAKPH-QGZVFWFLSA-N	248.410	4.745	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1cscc1Cl	1933813136	YWMWFKTUYIUTRL-LLVKDONJSA-N	245.819	4.618	0	10	BJAE	
Cc1c(Cl)cccc1OCCCC1(C)CC1	1935919919	AHPSRXITACHGSU-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
Cc1cc(Cl)ccc1O[C@@H](C)CCC(C)C	1937174371	OUOKJHZCUJEADC-LBPRGKRZSA-N	240.774	4.852	0	10	BJAE	
Cc1cscc1NCC1C[C@H](C)C[C@@H](C)C1	1937458445	YIXLAQAPRHMNLF-GHMZBOCLSA-N	237.412	4.541	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)[C@H](C)CC(C)C	1939034246	SDMNCJLEEFIGAE-ILXRZTDVSA-N	227.436	4.616	0	10	BJAE	
CCCCCC[C@@H](CC1CC(C)C1)NCCC	1940682512	KOXJJUZORLTFRX-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)CCC(C)(C)C1CC1	1941266511	GNFUIMCPEIWEMR-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)CCCC1CCC1	1941469373	CGAXFQBGTFJWKS-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CCCCCC2CC2)C1	1941582561	XTIGYONBDRKLFS-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2C=CCCC2)c1	1947575323	GXZQSERSVLDHBK-CQSZACIVSA-N	229.367	4.578	0	10	BJAE	
CC(C)CCCC(=O)c1cccc(C2CC2)c1	1948285604	LPCKFQRVFRILAM-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CCC1=CCCCC1	1949042116	ALIYSLOWASPQBJ-HZPDHXFCSA-N	235.415	4.565	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@@H](N)C1CCCCCCC1	1949046198	YJHBGCSAVIMQAB-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)[C@H]1CCCC(C)(C)CC1	1950924085	XNOXFENOZBFAMP-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2C=CCCC2)CC1	1950930661	QNIMWCRDMHHCGK-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
C1=C[C@H](C[C@H]2[C@H]3CCCC[C@H]32)CCCC1	1960869882	PQJCQGRJGAYDLQ-XQLPTFJDSA-N	204.357	4.559	0	10	BJAE	
CC[C@]1(C)C[C@H]1NC1CCC2(CCCCC2)CC1	1963195178	KRZLPEPOYPUZIP-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CCCCC[C@@H](C)NC1CC(CC)(CC)C1	1963223048	RANQWFJEXAEOQL-CYBMUJFWSA-N	225.420	4.514	0	10	BJAE	
CCCC1(CNC2C[C@@H]3CCCC[C@H]3C2)CCC1	1965938506	QOMISUAQMLKAJR-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H](NC[C@@]2(C)C=CCCC2)CC(C)(C)C1	1966037572	JVYJYPZHTMMWRE-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CC1CCC(NC[C@@H]2CCCCC23CCC3)CC1	1966064908	JUFLHYVFMFLYCB-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCc1ccc(N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)cc1	1968314226	QTZSUDSPOIQACM-ZOMKSWQUSA-N	245.410	4.732	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCc2cc(C)ccc21	1968994006	HJIDGVSWMMBCMD-DOTOQJQBSA-N	245.410	4.541	0	10	BJAE	
CC(C)CCNc1ccccc1SC(C)C	1970345404	XUVAOZAIGGNHIN-UHFFFAOYSA-N	237.412	4.645	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CCC1CCC1	1976929224	QAZHAXZYOGSEJD-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCCCCC(=O)c1cc(C(F)F)cs1	1977100443	ZUVIRCIYJFTQSC-UHFFFAOYSA-N	246.322	4.839	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1cscc1F	1985360626	GHBJVHMUQCTRRI-SNVBAGLBSA-N	242.359	4.532	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC1(C)CCCCC1	1989858981	DDOFBOBMFXJUKQ-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1(CCC)CC1	1990628067	LMXFYNJIIMKGML-CQSZACIVSA-N	225.420	4.502	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CCCC1CC1	1995259876	QMGQXQAKTMYJOC-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)Cc1coc2c(SC)cccc12	1995462948	DCQNWPASKFEXDE-JTQLQIEISA-N	234.364	4.743	0	10	BJAE	
C[C@H](C[C@](C)(O)C1(C)CCCCC1)C(C)(C)C	1995991933	SYPTVDOWEDIUOT-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC(C)(C)CC)CC1	1997118370	XEGTZPGCWQQAJW-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@H]1C=CCCC1	1998377992	PZJJCJRUBROEKE-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
C=CC=CCCC(=O)c1ccc(C(C)(C)C)s1	2000210414	MJJULTXAECPMKP-UHFFFAOYSA-N	248.391	4.751	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC=CCC2)CCCCCC1	2000212597	XQOAHOFNYXQAQO-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CC(CC(=O)C2(C)CCCCCC2)C1	2000225796	JOTRUYCJJWRCLO-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H]([C@H](C)CCC)C1(C(C)C)CCC1	2000389600	FNTBKGRSMJAWGG-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CCC1CCC1)CNC(C)C	2000514503	XBBWKPNDCGNQQN-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C1CC(CC)C1)C(CC)(CC)CC	2002307603	RYEIUJJIBGCFKB-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2CCCC(C)(C)C2)CCC1	2002978360	HOVHCLOWNSOGKN-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@@H]1CCCC(C)(C)C1	2002981235	HATJTSFLWLNQMQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
NC1(C[C@@H]2CC=CCC2)CCCCCCCC1	2003097845	IHLRQHSOXCRCLF-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1CCCC2(CC2)C1	2003213049	BLHPJVJFVVIFDX-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@@H]1CCNC12CCCCC2	2004704971	DQJSQTCVAFADKA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)CN[C@H](C)CC1CCCC1	2004719090	OVRAJCZACNQGGA-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCCC[C@@]1(CO)C1CCCCCC1	2005587590	XZBPMEWYELESGY-MRXNPFEDSA-N	238.415	4.536	0	10	BJAE	
F[C@@H]1CCCC[C@H]1Nc1ccc2sccc2c1	2006685331	XLNGOJYTVGEHJZ-CHWSQXEVSA-N	249.354	4.594	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H]1C=CCCC1(C)C	2006901084	KBVBKKZPUWVITO-ZNMIVQPWSA-N	237.431	4.536	0	10	BJAE	
C[C@H]1CC[C@@](C)(C(=O)CCC2(C)CC2)C1(C)C	2009604692	JSWGLHIGEMQHBK-LRDDRELGSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CCC[C@@H](C)C1	2009636507	XGALJQHINXKTRC-ZGWFHWIISA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC1=CC[C@@H](C(C)C)CC1)NCC	2010764695	ODMUKPJWGXTEHO-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](C1CC1)C(C)(C)C	2013268025	WIGXDIRWWZGJJT-HUUCEWRRSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)[C@H]1CCC1(C)C	2014886236	WRSVRYKSVHPERA-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@]1(O)CCC(C(C)C)C(C)C	2015334114	FGXYAZOYMLHGGL-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
CCCC1(COc2cc(C)cc(C)c2)CCC1	2015593444	DJTKZRPXTFMSPJ-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CCC[C@H](NC1CCCCCCCC1)C(F)F	2015808073	UYZOOFAZLHJDQU-ZDUSSCGKSA-N	247.373	4.513	0	10	BJAE	
c1cc2cc(N[C@H]3CC[C@@H]3C3CC3)ccc2s1	2017046852	FUENFLBADUQITQ-KGLIPLIRSA-N	243.375	4.502	0	10	BJAE	
CCC[C@H](C=C[C@H]1CC[C@H](CCC)CC1)CN	2017731792	VSLUOEDSMRIZBJ-BZUAXINKSA-N	237.431	4.524	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)C[C@H](C)CC(C)(C)C	2017787778	LAXIWLKNBJGLDG-KGLIPLIRSA-N	241.463	4.815	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C1CCC1)C1CC1	2018128242	XOYHKPCONQPYRD-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)c1ccc(C)o1	2018139116	OHXNCLVMONYVIK-KGLIPLIRSA-N	237.387	4.598	0	10	BJAE	
CCC[C@H](C)N(C)[C@H](C)[C@@H]1CCCC(C)(C)C1	2019305104	FHOLIEZTIYTGHU-RRFJBIMHSA-N	239.447	4.712	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(O)CCC1=CCCCC1	2019782776	YPEFNEKROPWFJQ-HZPDHXFCSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@](N)(CC)C1CCCCC1	2022560676	QLUZKWIIUUSLSR-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(F)(F)CCCC(=O)C[C@H]1C=CCCCC1	2023307727	BKORMNPUJGQYTL-LBPRGKRZSA-N	244.325	4.518	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CCCC(C)(F)F	2023335007	CXSFWAXRQBOTQB-CYBMUJFWSA-N	247.373	4.536	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1CCCC(C)(C)C1)C1CC1	2024100592	DMTXFCWDVPTFMP-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CC2(O)CCCCCC2)C1	2024127952	IPYJAJYTIQTNJB-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
c1sc(C2C[C@@H]3C[C@H]3C2)nc1C1CCCCC1	2026597314	LAYKYIPBRJVARG-RYUDHWBXSA-N	247.407	4.704	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)CC1CC(C)C1	2027601071	OADNNUBPXQEPOI-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1cccc(C2CC2)c1	2028554322	IWYKAIWBOAKJOO-DLBZAZTESA-N	246.394	4.670	0	10	BJAE	
CN[C@@H](CC1CCC=CCC1)C1(C)CCCCC1	2028898191	SJTYTJNBVHYDHO-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NC1CC(C2CCC2)C1	2029285165	WFQXXKOLHCGHAU-GPANFISMSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc([C@](C)(O)[C@@H](C)CCC(C)C)cc1	2029838151	RHZJUIQCZQKHIW-WMLDXEAASA-N	248.410	4.529	0	10	BJAE	
N[C@H](CCCC1CCC1)[C@@]12CCCC[C@@H]1CCC2	2031758048	JEKXOVAWSRTDRD-BRWVUGGUSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC(CC2(N)CCC3(CC2)CC3)C[C@H](C)C1	2031817990	OZMLQLKDDOQILL-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CCC(=CC(C)(C)C1CCCCC1)CNC1CC1	2034050793	NBLRECGFJYRUAA-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C2(N)C[C@H]3CCCCC[C@@H]3C2)C1	2037589993	GXSAUHXUZOPOCV-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@@H]1CC12CCCCC2	2039011370	HFKJWNFXMZSNQV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@@H](C)C1)[C@]1(C)CC=CCC1	2042017755	YHAPRRYZSXEOHW-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@@]1(C)CC=CCC1	2042018675	HWXIOXVBFCRFPY-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)NCC1(C[C@@H]2CC23CCCC3)CCC1	2047015040	FZJUCPICVKAFSX-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1C[C@H]1CC12CCCCC2	2047017090	SVKDWRPXGOFNCI-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C[C@H]1CCC12CCC2	2047943118	PAOOKGONYOCKRW-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1(CC2CCCCC2)CCC12CCC2	2047944207	XAJMQMSMBYQYCT-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC[C@H](CC2[C@H]3CCCCC[C@H]23)C(=O)C1	2048470442	PWKSHZGWMAFPMA-RDBSUJKOSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCCCCC1)C1[C@@H]2CCCCC[C@@H]12	2049203595	ONONEGLGHAUZSD-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](N[C@H](C)[C@H]1CCC[C@@H](C)C1)c1ccco1	2049570218	JWXVDPZTRSZILN-KBXIAJHMSA-N	249.398	4.535	0	10	BJAE	
Cc1ccc([C@H](N)CCCC[C@@H]2CC2(C)C)cc1	2050428668	FYWPRMCRWGDIQC-HZPDHXFCSA-N	245.410	4.601	0	10	BJAE	
CC1(CNC2CC3(CCC3)C2)CCCCCCC1	2052503392	UIOIEUOLMRUWOA-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@]1(CN)CCCCC12CCC2	2053421109	QEAWTVRZQUGNOX-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H](N[C@H]1C=CCCC1(C)C)[C@H]1CC1(C)C	2055539302	CFBLUGASHBYKQJ-ILXRZTDVSA-N	249.442	4.536	0	10	BJAE	
CCC1CC(CNc2cccc3ccccc23)C1	2056719794	WRLGBALWENAREL-UHFFFAOYSA-N	239.362	4.688	0	10	BJAE	
CC[C@](N)(C=C1CCCC1)C1CCC(C)(C)CC1	2056918083	XJLJCRUPQIAHGH-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H]1CCC(C)(C)CC[C@H]1C[C@@H]1C=CCC1	2059003014	KETFZLSZOZTGTH-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](N)[C@@H](C[C@@H]2C=CCCCC2)CC1	2059004265	VXSVZOSHPQQPJJ-OAGGEKHMSA-N	249.442	4.667	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1ccc(C)cc1F	2059257324	WOHQQLGFMGQRQI-NBUZRDOWSA-N	249.373	4.531	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@@H]2CC[C@@H](CC)C2)CC1	2061099100	MWWQVRIXXFIIIA-SRABZTEZSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC[C@@]12CCC[C@@H]1C2)CNC1CC1	2061623088	PJISUHFFXSJBGA-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2CC[C@]12CCC[C@@H]1C2	2061623319	QSJIOXQUDTYUBU-VBQJREDUSA-N	241.378	4.556	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)CC1CC(=C2CC2)C1	2061665912	VHPXSHABPNSKTG-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
C[C@H](N[C@H]1CCCCCC12CC2)C1CCCCC1	2062017429	OOHBXLFZXWBXHF-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CC1([C@@H](N)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1	2063476160	GNSLOIBKMIFPFU-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@]1(C)NCC12CCC(CC1)CC2	2065299288	ZNBYBXPLOPWSOZ-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)NCC1CC(=C2CCC2)C1	2065988032	PIWMTZJXHXMKOJ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CC(C(C)C)C(C)C	2068845383	YEQYZCKLXFOPMC-MRXNPFEDSA-N	247.426	4.622	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CC3CCC2CC3)CCC1	2069282780	NZSIWTDCJPLBQA-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC1(C(=O)CC2C[C@H]3CCC[C@@H]3C2)CC1	2069509746	TUUIWZGHEMPIGL-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1([C@@H](N)CC23CCC(CC2)C3)CCC1	2071926638	RQJNAGTVEOMSPJ-BBBYJDLNSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1(C(C)(C)C)CCC1)[C@@]1(C)C=CCC1	2071939608	BOMGAMNSPFGWBW-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(N)CC3CCC2CC3)CCC1	2071940356	JROSVRRHUKHPHX-KVULBXGLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@]23CCCC[C@H]2C3)CC1	2074115336	XDYVLQOEGCQICX-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CN2CCC23CCCCCC3)C1	2074864464	JKZIGOVEDCSPBH-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CC[C@]23CC[C@H](C)CC3)C1	2074893267	SOKFMERGAHJUDR-LUKYLMHMSA-N	249.442	4.610	0	10	BJAE	
CCCc1ccccc1CN(C)CCCC(C)C	2075231601	OZRQJVUJEXBKBA-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
CN(C1CCCCCCCC1)[C@@H]1C=CCCCC1	2075405600	RDGVEASILKCNDM-QGZVFWFLSA-N	249.442	4.920	0	10	BJAE	
CCCCc1ccc([C@H]2CCC[C@@H](CC)N2)cc1	2077917732	FTSLWBKHMHNBLN-IAGOWNOFSA-N	245.410	4.622	0	10	BJAE	
CC(C)(C)C1(CC(=O)[C@@H]2C[C@@H]2C2CCC2)CCC1	2079318642	CMGFCNXXAIUFRP-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2C[C@H]2C2CCCC2)C1	2079493643	YUYIRZMIQCYTQA-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](N[C@H]2C[C@H]2C2CCCCCC2)C1	2079527321	HPMLJZZZBQXQAU-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@@H]1C1CCCCCC1)C1CCC1	2079533376	WNISUWPZKPZDJN-IXDOHACOSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2C[C@@H]2C2CCCC2)c1	2079802498	KMYYXSCDHVBNSD-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@@H]1C[C@H]1C1CCCC1	2079833685	WSCUPIQDYWOLLK-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCCC1)C[C@@H]1C[C@@H]1C1CCCC1	2079863554	KPOMNZREZQCBJK-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
CCc1ccccc1[C@H](C)NCCCCC(C)C	2081209627	RVQHXJACMFSGET-HNNXBMFYSA-N	247.426	4.726	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@H](C)C[C@@H](C)CC	2081209807	URPXOSBFHYVSNO-ZNMIVQPWSA-N	247.426	4.724	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@@H]1CCC2(CCCC2)C1	2081777601	FQUXDHQDLWGDDJ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C)c1ccccc1[C@H]1C[C@H]1C(C)C	2082714380	CUGVSDBIVJHHEA-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CCCC(CCC)NCCCCCC1CC1	2210534223	OADDXOKRHZJUTQ-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC(C)(C)CCC[C@@H](N)C1CCCCC1	2211243518	DTQAZFRNQYTCCD-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
Cc1cc(Cl)cc(O[C@H]2CCC[C@@H](C)C2)c1	2212534308	YLYPZJXJWOBLDH-MFKMUULPSA-N	238.758	4.606	0	10	BJAE	
CC[C@@H](C)NCC(CC)(CC)CC(C)(C)C	2212580487	LZXCQGZYUKYHBD-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC1(C[C@@H](O)CCCCCCCC2CC2)CC1	2216862807	MBMUJVFNYCIYGC-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](C)NCC1(CCC(C)(C)C)CC(C)C1	2217123824	BRMMYIVXSGZUOM-NPCAHTBFSA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CCCC1CC1)CC1C[C@H]2CCC[C@H](C1)C2	2218362329	WKKITAWVLAVETK-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@](C)(C=CCCCCCC2CC2)CN1	2218719959	DGPNGDUVIGVGJR-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
COc1cccc(C)c1N[C@@H](C)CCC(C)(C)C	2220294030	FYRCYWVZVQENGQ-ZDUSSCGKSA-N	249.398	4.630	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1cccc(C2(C)CC2)c1	2220926318	UNNCUKGHUYQZPB-ZIAGYGMSSA-N	243.394	4.586	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)[C@H]2CCCC3(CC3)C2)C1	2221016462	OGBBFYCETSWASV-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](CC2(C)CC3(CCC3)C2)NC)CCC1	2221024186	ZBYOCPVZRLUADQ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@H](CN[C@@H]2CCC[C@H](C(C)C)C2)CC1	2221667406	LBDAQGASOQRTGS-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@H](NCCCCCCCC2CC2)CC1	2223120632	QWIIMSFBJSPDFX-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@H](N)c1ccc(C2CCC2)cc1	2223685787	AUWRDAMMKRJMFN-XNJGSVPQSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1csc(C(F)F)c1	2244781952	GGQLSOOYMYNBGF-MRVPVSSYSA-N	246.322	4.695	0	10	BJAE	
CCN[C@@H](CC)CC[C@@H](C)CCCC(C)C	2244836784	LDLCZKCZDJIEGQ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)CC[C@@H]1CCC[C@@H](C)C1	2246662797	ICQNEWPGVMCORB-FXUDXRNXSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCCC[C@@]1(O)CC[C@H]1CCC[C@@H](C)C1	2246691475	IDDYQUVYXXDAMA-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
N[C@H](CC1=CCCCC1)C1CCCCCCC1	2247456165	NKUWXQXRKRQKPM-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@H]1CCCC[C@@H]1C	2250351125	AFROWOAPSQHOQC-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C(=O)C1CC2(C1)CC(C)(C)C2	2250354247	BEPRMYORAFNQEH-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](CC[C@@H]2CCCCC23CC3)C(=O)C1	2253880255	IDJSDNXDDKZHSJ-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CCCC[C@@H]2C[C@@H]2C)c1	2254610079	NWRLYAOPBILMLE-UXLLHSPISA-N	245.410	4.520	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(CC2=CCCCC2)CC1	2255132263	KAIBCBHNCLEKPZ-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)C1CC2(CCC2)C1	2257280184	FKPFURAFWXCOJI-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN[C@H]1CCCC12CCC2	2257311643	NHJQZULIOVTZSP-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C1CC2(CCC2)C1	2257315206	JXMKHUDYXGVREV-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@H](C)Oc1ccc(C(C)=O)c(C)c1	2257461752	BLCGUKXDZMFKEF-ZDUSSCGKSA-N	248.366	4.545	0	10	BJAE	
CC(C)(C)C1(NC[C@@]23CCCC[C@@H]2CC3)CCC1	2260583141	NDISMMYJITWUQE-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@H]1CC(=O)c1cccc(C2CCCC2)c1	2260660207	CSOVIHQDBXGKKT-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](NC[C@@]2(C)C=CCC2)C1	2261392637	PTIJXJUKNDOXRT-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@@H](N[C@@H](C)CCCC(C)C)CCC1	2298841028	XWVWLIVPIWFCCE-HOCLYGCPSA-N	237.431	4.680	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H](C)CCCC(C)C	2300501529	OLHXBZXSRQFAHH-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC[C@@H]1CC(C)(C)CC[C@H]1CN	2300699336	FPKDJWNSMSJTLG-CABCVRRESA-N	239.447	4.604	0	10	BJAE	
CCC(CC)CCC1CC2(CCC(N)CC2)C1	2300699903	JBONZYMNKQSDNQ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@@]1(CC=C(C)CC)CC[C@H](CC)C1	2300869343	HORAMZOOHOMNET-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](CC=C(C)CCCC(C)C)NCC	2300937972	UBOMJDHPTJJUNV-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1CC1CCCCCC1	2301244989	RAAAADHYLKZHKZ-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C)[C@H](C)CCCC1=CCCCC1	2302325399	HDCNBHKFHJSXKN-HUUCEWRRSA-N	237.431	4.681	0	10	BJAE	
CCCCCCC(=O)O[C@H](C)CCC=C(C)C	2302761722	VFZJJTYNLAOLJW-CQSZACIVSA-N	240.387	4.635	0	10	BJAE	
CCc1cscc1N[C@H]1CCCC[C@H]1C1CC1	2302889016	FXTDRCGTFHPETM-KBPBESRZSA-N	249.423	4.691	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)CC1CCCCC1	2307827101	UOTWFVZKWCMOIU-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@]1(O)CC[C@H]2CCCC[C@H]21	2307840015	CPVITEUETYTQGG-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NCC)C1(C)CCCC1	2307902582	LQYAGVWJZZWMJY-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CC)C[C@@H]1C=CCCC1	2310963233	MDGGZBGTWISEEB-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]1[C@@H]2CCCCC[C@@H]2C12CCCCCC2	2311941209	CJJODEIUCQYKHE-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@@H]2CC[C@H]1C2)CC1CCCCC1	2312880907	TWLRZNKIXZZEQP-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H]1C[C@@H]2CC[C@H]1C2	2312940193	PFOPSNUWJJSSMK-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC[C@@]12CCCC[C@@H]1CC2	2313311651	OODIJGSWZBQZNP-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@H]1C[C@H]2CC[C@H]1C2	2316501436	GXTUADJAKKHYAJ-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@@H](N)c1ccoc1C)CCCC(C)C	2316507496	BPOKYNCKAWGPIQ-MRXNPFEDSA-N	249.398	4.751	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)C1=CC[C@H](C)CC1	2317907889	UIHUZENCRRZGFO-YOEHRIQHSA-N	247.426	4.601	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)[C@]1(C)CC1(C)C	2318587539	UIWFDJAECFSYNO-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CC1CC(C2CCC2)C1	2318944964	UYTYAFIAJZBNRT-ZHGJTGPASA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C[C@](C)(N)[C@@]23CCCC[C@@H]2C3)C1	2319027078	POPQDVFJHLAVRA-HDEZJCGLSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@](N)(C[C@@H]2CC[C@H]2C(C)(C)C)CC1	2320265726	MHYUMYWZBMBHDF-ZMSDIMECSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2Cc3ccccc3N2)C1	2321607936	KDXLHLOHUVNVGU-UKRRQHHQSA-N	243.394	4.630	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)CC[C@@H]2C2CCC2)C1	2321634289	QFHWKQUACVDXNL-FRFSOERESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C2(CC3CC3)CC2)C1	2321639156	IKEFOVMIVUEAIY-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](N[C@@H](C)CCC(C)C)c1ccc(C)cc1	19982561	WHDFVRBSMBWMFO-RDJZCZTQSA-N	247.426	4.860	0	10	BJAE	
CCCN[C@H](c1ccc([C@@H](C)CC)cc1)C1CC1	35580675	SDYLGGWTZFZQJX-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CC(C)c1cc(CNC2CCCC2)c(C(C)C)o1	77078402	YHEQDANHZWDFOG-UHFFFAOYSA-N	249.398	4.559	0	10	BJAE	
CCC1CCC([C@]2(N)CCCC[C@@H]2CC)CC1	85078582	MKIPIIKSYXFQSQ-GRAKBVBRSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](C)[C@@H](NCCC)C(C)C	86169416	HBMIIPQJUIPZFR-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC1CCC([C@@H](N)CC2CCCC2)CC1	87962599	QXMMCVXDTTVKSP-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1sc(C)cc1C	88047962	OOMYIYVIYLXEPZ-OLZOCXBDSA-N	240.412	4.615	0	10	BJAE	
CCC(CC)C1(O)CCC(C(C)(C)CC)CC1	94676110	RGNLLOZKZUUMDD-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)C1CCCC1	94984731	VBFPYIBQKOXJSK-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C/C=C\C[C@@H](CC)c1ccc(CC)cc1	107484852	CKLMLNGBANTEGZ-HJHHMULASA-N	202.341	4.709	0	10	BJAE	
CCCCC[C@H](N[C@H]1CC1(C)C)c1ccccc1	109942502	DCVXUIUAGDEKIT-HOTGVXAUSA-N	245.410	4.696	0	10	BJAE	
CC[C@H](N[C@H](C)c1ccccc1)C1CCCCC1	109952681	YDZIIGWAMJVGMH-PBHICJAKSA-N	245.410	4.696	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CNC(C)(C)C)C1CC1	164236455	JVFJHZKXAKGVHK-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCCCc1ccc(-c2ccc(C)cc2N)cc1	164295346	BIAMWWASEDGYCJ-UHFFFAOYSA-N	239.362	4.587	0	10	BJAE	
CCCCCCC(=O)CC1CCCCCC1	164722165	UXDIQSZEBQYKEY-UHFFFAOYSA-N	224.388	4.886	0	10	BJAE	
CCCN[C@@H](CC1CCC1)c1cc(C)ccc1C	167112730	VZVRNDSZWHRLND-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CC1CCC([C@H](N)C[C@@H](C)CC(C)(C)C)CC1	167848384	XLTZDWZNIWNRTP-HXSCFSKGSA-N	239.447	4.602	0	10	BJAE	
O=C(c1ccccc1C1CCC1)C1CCCCC1	168855998	VJAHVAKRGFNSOS-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCCC(C)(C)Nc1nc2cc(C)ccc2s1	169093495	NJZKJELUMMYURE-UHFFFAOYSA-N	248.395	4.595	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCCC[C@H]1C(C)C	214434516	SKBHMKKNGLPKJY-GOEBONIOSA-N	231.383	4.622	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H]2C[C@@H]2C)c(C(C)C)c1	218129751	ZBVGOEJHBDUNCZ-ZLIFDBKOSA-N	246.394	4.623	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCC)c1ccccc1C	229433693	LTSQBYJCCOIQPD-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
Cc1cc(C)c(C(=O)CCCC(C)C)c(C)c1	229452074	MMXINSWUUQCENY-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H](C)CC1CCC1	229667389	AWHNIASHLXMQIQ-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCc1ccc(N[C@@H]2CCC23CCCCC3)cc1	230162167	ZNDQUFIELQLUFZ-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CC(C)C(C)(C)CN[C@@H]1CCCC(C)(C)CC1	232770133	DAFKQBPFQAPVPC-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](NCC1(CC)CCC1)c1ccccc1	233295724	NCEKXPROXNMYKT-MRXNPFEDSA-N	245.410	4.698	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCC[C@H](C)[C@H]1C	250443723	SDNCXMVESOPDSY-JGGQBBKZSA-N	245.410	4.794	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@@H]1C[C@H]2CC[C@H]1C2	253040449	KKAPOOXVKSADGQ-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C2(C#N)CCCCC2)cc(Cl)c1C	260761662	XZQGQLXBXGHJAY-UHFFFAOYSA-N	247.769	4.682	0	10	BJAE	
CCCC[C@@H](C)[C@@H](NCCC)c1cccs1	300978158	TUJNBKQSOUWTKA-TZMCWYRMSA-N	239.428	4.615	0	10	BJAE	
CC(C)(C)c1ccccc1NCCC1CCCC1	302299375	ZGHGMOIKHNRJQF-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CC[C@](O)(CCCC(C)(C)C)c1ccccc1	302365617	YIWZOOYYULZOQS-INIZCTEOSA-N	234.383	4.501	0	10	BJAE	
CCCC[C@@](CC)(CCC1CCCC1)C(=O)O	304123340	CBNKMUXJBVDUHH-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CCCC[C@H](C)Nc1cc(C)c(F)cc1Cl	304346015	JTASZVWGFURSOI-JTQLQIEISA-N	243.753	4.778	0	10	BJAE	
CCCC[C@@H](CCC1CCCCC1)NC(C)C	305895854	HUMPKQUWKTZAPU-INIZCTEOSA-N	239.447	4.904	0	10	BJAE	
C[C@@H](NCCCC(C)(C)C)C1CCCCCC1	305964496	XNGSVFROVBDBSL-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc2sc(SC)c(Cl)c12	307047439	ITTAFNNXZGHGEN-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Cc1cc(Cl)c(Cl)c2sccc12	307237125	FBHHQEVKAWDQJO-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)c1ccc(C)cc1C	308114893	TUKBWTWUUVWNEL-HNNXBMFYSA-N	246.394	4.949	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@H](C)CC(C)C	310085684	AKLLKCRWWYMZLW-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC1CCC(C)CC1)CC(C)(C)C	310127592	JSCVLGWDXYELRD-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(OC[C@@H]2CCC[C@@H](C)C2)c(C)c1	310175896	VCQXUBGBWVHHOL-IUODEOHRSA-N	232.367	4.509	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C1(CN)CCCCCC1	310198108	ZQPSTRSQYBFLIE-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCCCC23CCCC3)C1	311110352	MKUDUSJALNBWFF-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCCNC[C@@]1(CC(CC)CC)CC=CCC1	316911297	VMTWJTZRLRKJHE-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC(C)ONC1CCCCCCCCCCC1	379103563	PPGAKUSKTKXJRM-UHFFFAOYSA-N	241.419	4.589	0	10	BJAE	
CCCN[C@H](C)[C@@H](C)C[C@H](C)C1CCCCC1	379943240	YIAKUIZTAKMFGD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(NCCCCCC(C)C)c1	383205887	OWYHDJZWUFOFNJ-UHFFFAOYSA-N	219.372	4.623	0	10	BJAE	
Cc1c(Cl)ccc2nc(C3CCCCC3)[nH]c12	383557310	ZEHMIRIGJRZTGZ-UHFFFAOYSA-N	248.757	4.572	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)c1cc2ccccc2s1	384070506	QTAJMNIFUDCJCB-ABAIWWIYSA-N	247.407	4.583	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1cc(Cl)ccc1F	384663896	WNTPTRILBBUPPI-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
C[C@@H](CC(=O)C1(C)CCCCC1)c1ccccc1	384899577	NDAUCYFOPTURHX-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	388708740	OYWYGOVMSXPTQZ-JJTUDDRGSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@H](N)CC1CCC(C)(C)CC1	390529190	KVSGHNNZOVRDEM-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](N[C@H]1CCCC1(C)C)c1cccc(C)c1	393965745	OLPFTVISBCEQDH-CVEARBPZSA-N	245.410	4.614	0	10	BJAE	
CCCN[C@H](c1ccccc1C(C)C)[C@H]1C[C@H]1C	394135146	GYMSWDDGQHYHNK-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNc2cscc2C)C1	394617473	KYOZWACJKZBHQI-OLZOCXBDSA-N	237.412	4.685	0	10	BJAE	
Cc1ccc([C@H](C)NCCC2CCCCCC2)o1	394650304	YQCRJPOOXFCCLV-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CCC[C@](O)([C@@H]1CC[C@@H](C)[C@H](C)C1)C(C)(C)C	395312578	BPMDECIOOQSWLU-KQTLUZQSSA-N	240.431	4.636	0	10	BJAE	
CCc1csc2c(CC)c(SC)ccc12	396176787	HDGOHWMLXAGEDR-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1c(C)ccc2c(C(F)F)csc12	396211420	AXTIGGJKASPLST-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1c(S)c(C(F)F)cc2sccc12	396233108	DIAVCBOAPWDOMV-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CSc1csc2c(C)ccc(C(F)F)c12	396413387	XTHQKASPOCEVIE-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
C[C@H]1C[C@@H](CCC2CCC2)c2ccccc2N1	398626385	IAMOQNNHMNJAKI-GXTWGEPZSA-N	229.367	4.555	0	10	BJAE	
Fc1c(CC2=CCCC2)ccc2ccccc12	401134980	YIVVCBOBMBXZAD-UHFFFAOYSA-N	226.294	4.632	0	10	BJAE	
CCN[C@H](CCCC1CC1)C1(C)CCCCC1	405706889	CXQYJHOMZAECFV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)NC/C(=C/C1(C)CCC1)C1CCCCC1	686135510	FUECZHZINLQJTJ-VBKFSLOCSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)NCCCCC(C)(C)c1ccccc1	686729515	MDKFKNOCOWIGTG-UHFFFAOYSA-N	247.426	4.523	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)C(C)(C)C	687710688	TWOYSUVRUYRAPA-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)C1(CN)CC(C)(C)CC(C)(C)C1	688347755	RFNHVCODVVRTFY-CYBMUJFWSA-N	239.447	4.604	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCCCC(C)(C)C	689785662	BYTFABUMEOCDOD-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCc1ccc(N[C@@H](C)CC2CCCC2)cc1	689788677	JCKXXTSQBCURRW-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1N[C@@H](C)C1CCCC1	691168635	BOOBDBLLSMCNCT-DZKIICNBSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](N[C@H]1CCC12CCCC2)C1CCCC1	693896066	IGZOZQKMAGQBTI-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CCCC2(CC2)C1	695937458	NDZJVHQAHBQJFC-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCc1cccc(N[C@@H]2CCCC[C@@H]2C2CC2)c1	696103834	JHZUGOOFACDDPR-IAGOWNOFSA-N	243.394	4.630	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)[C@H]1CCCC2(CC2)C1	696495558	LJTWBPQYSPBOGY-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H]1CCC[C@@H](CCC(C)(C)CC)C1	696703893	OWXCPIZTVUYECT-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@@H]1CCCc2ccccc2C1=O	697835539	LQCJWBAUWFGPSP-OAHLLOKOSA-N	242.362	4.568	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cccc(C(C)(C)C)c1	701111868	MRXUFVLONOZALY-HNNXBMFYSA-N	248.410	4.844	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@@]1(C)CC1(C)C	702160095	PLCZWIMZUCIVFQ-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@]1(O)CCCC(C)(C)CC1	704797912	JAZRVXYWTOOYTJ-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@@H]1C[C@@H](C)CC[C@H]1CNC1CC1	704848386	LNHFNIRWMVGANK-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@H](N)c1ccc(C(C)(C)C)cc1	704868932	SDNXPHCQVBPWIT-INIZCTEOSA-N	245.410	4.730	0	10	BJAE	
CC[C@@](N)(Cc1ccc(C(C)C)cc1)C(C)(C)C	704871810	YNKARIHWTHKOBB-QGZVFWFLSA-N	247.426	4.506	0	10	BJAE	
CC(C)CCCOc1cccc2sccc12	705066809	OABSTBTUYXZAAC-UHFFFAOYSA-N	234.364	4.716	0	10	BJAE	
c1cc(N[C@@H]2CC[C@H]3CCC[C@H]32)cc(C2CC2)c1	707774800	QGTXJRQSYBDUBF-KBRIMQKVSA-N	241.378	4.555	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@@H](C)CC(C)(C)C	708281848	IKJSDGCJHHSYLO-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@@H](C)CC(C)C	708311031	CAGIPQLOOQKDNE-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)C[C@H](C)CC(C)(C)C	709100999	AQWGDLFZLVSGNW-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	710206016	QADWSFIPYOJZRB-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](N)(C[C@@H](C)C(C)(C)C)C1	710754005	OHEQRHDITMLILY-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(CCC(=O)C[C@H](C)C(C)(C)C)cc1	711129530	JTBRJHDLDSZAJX-AWEZNQCLSA-N	246.394	4.569	0	10	BJAE	
CC[C@H](CC(=O)CC1(CC)CCC1)C(C)(C)C	711186212	BDRDVWXTXGBAER-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
Cc1cc(N[C@@H]2CC(C)(C)CC[C@H]2C)ccc1F	713068512	VXLUXWOPALKVSB-IAQYHMDHSA-N	249.373	4.761	0	10	BJAE	
CCC[C@H]1CCC[C@@](O)(CC(C)(C)CC)CC1	713167757	HXFYHAYQHSKTNS-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
C=C/C=C\CC[C@H](NCC)[C@H](C)CC(C)(C)C	713679469	RUCCNTVTUJFLOM-TWEVIJGYSA-N	237.431	4.559	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H]1CCC(C)(C)CC1=O	717533896	PQKHDGUNCBNGOH-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1CCCC12CCCCC2	718607197	XRRAJMONZVRTEG-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCCC[C@](CC)(CO)[C@@H]1C[C@@H](C)C[C@@H](C)C1	719372300	OYHLNVCJPJSDJU-FXUDXRNXSA-N	240.431	4.638	0	10	BJAE	
CCC(C)(C)c1ccc([C@@H]2CCCCC2=O)cc1	725426198	FBZJFZVRUKRWPT-HNNXBMFYSA-N	244.378	4.601	0	10	BJAE	
CCCN(Cc1cccs1)C(C)(C)CCC	1473415977	APFRNJDRZAUFKV-UHFFFAOYSA-N	239.428	4.539	0	10	BJAE	
CC(C)(C)CCCNC[C@@H]1CCCC(C)(C)C1	1474016358	PETWUVDWBLAZAK-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](C)N(Cc1ccccc1)[C@H](C)CC(C)C	1880408946	FUNQCCRFQDHRDE-HZPDHXFCSA-N	247.426	4.722	0	10	BJAE	
CC(C)(C)NCC(=CC1CCC1)C1CCCCC1	1907464164	SAHKZUMGTHCAEK-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC=CC[C@H](CC)c1cc(C)cc(C)c1	1911942328	DCCDTSXMXREAFS-AWEZNQCLSA-N	202.341	4.763	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C1CC2(CCCCC2)C1	1912628286	JLFQJONAEBVJNK-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
O=C1CCCCCCCC[C@H]1Cc1ccccc1	1913387255	XFAQECNLAXAXTI-INIZCTEOSA-N	244.378	4.549	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)C[C@@H]1C[C@@H]1C=CCCCC1	1925887173	BESQYLBGNGYYQK-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CSc1cccc(NC[C@H]2C=CCCCC2)c1	1925917269	LEICBHZPVDBQGY-ZDUSSCGKSA-N	247.407	4.567	0	10	BJAE	
CCC(CC)C[C@H](O)c1cc(C)c(Cl)s1	1926366916	KAXDSWKCFJBSPX-JTQLQIEISA-N	246.803	4.570	0	10	BJAE	
CCCCCC[C@@H](C)NCCCC1(C)CC1	1935919986	AWVCXZPYACPRTH-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC1(NCCC[C@@H]2CC2(C)C)CCCCC1	1940875340	XPNZBMOCQULXHA-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(O)CCCCCC1CC1	1941577178	XSLOGZCJKWMONX-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](CC2CCC=CCC2)C1	1941792869	KHWCAZMHUCJLEE-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCC1(C)CC(C)(C)C1	1942074229	WGLXBYMPUSJDNJ-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(N)C(C(C)C)C(C)C	1942652552	ILVUTOGJWXLXKN-GOEBONIOSA-N	241.463	4.704	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C(C)(C)C1CCCC1	1944635200	ORKAQFSGVXZGMO-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CCCC1(NC[C@H](C)C2CCCCC2)CCC1	1945283389	WLVSKWIUFBWOOT-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@H]1CCC(C)(C)C1	1945578091	CLTMFDGIHZEJGH-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C(C)(CC)CC)CC1	1949087678	FGHJZMWVVDASQT-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(C)c([C@H](N)C[C@H]2C=CCCCC2)s1	1949158170	OUVVJYHXUXQCKA-UONOGXRCSA-N	249.423	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@@H](N)CC1CCCC1	1949861103	BXEDJYCDYXYFQP-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](CC)CC1CC1	1950099539	HENYWLXGYYJMQB-HNNXBMFYSA-N	231.383	4.548	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)(C)C)C1(CC)CCC1	1951238397	IZUVXWRRDKUZGN-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(CN(C)C[C@H](C)CCC)cc1	1964258762	LZMQUXQNXIMODP-OAHLLOKOSA-N	247.426	4.507	0	10	BJAE	
Cc1ccc(OCC2CC(C3CCC3)C2)c(C)c1	1968396728	POXRBUFTYRUPDB-UHFFFAOYSA-N	244.378	4.509	0	10	BJAE	
CCCCCC[C@]1(CO)CCCCC1(C)C	1981852844	HXQYLVJOYBXKGN-OAHLLOKOSA-N	226.404	4.536	0	10	BJAE	
CCC[C@H](C)CC(=O)C1(C)CCC(C)CC1	1983315095	WWACCRKEKLNPKV-OWYJLGKBSA-N	224.388	4.598	0	10	BJAE	
CCCC(C)(C)CN[C@@H](CC)CCC(C)C	1986948114	LVUMQMRGMCBGJY-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1C(=O)C[C@H](C)C(C)C	1988298806	DSWPCNPOCWNKCJ-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCC1CCC1	1995259109	KGCOZDAYWABCDA-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](C)C1CCC(C)CC1	1996555629	SLJYPHGYRCEGKT-IQXANGCESA-N	239.447	4.616	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1CCC=CCCC1	2000001030	HWSFZOLIEFXLTJ-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
Cc1cc(C(=O)CCC2=CCCCC2)c(C)s1	2000183273	XSLABYGRCPDSFD-UHFFFAOYSA-N	248.391	4.828	0	10	BJAE	
CCCC1([C@@H](CCCC2(C)CC2)NC)CCC1	2000336812	WCMRLKFJXQUUPT-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)CCCC1CC1	2000377656	YPNJYRZBFLXNPF-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2001495412	VPHGMQUYUILBKE-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCCC(C)(C)C1	2002993540	LLTCLEBQJCZXFQ-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CN[C@H]1CCCCCC[C@@H]1CC(C)(C)C(C)C	2003096711	ZNJBPCAMLLNHDR-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCC(F)(F)C1	2003203953	JGARRROMPPQCHI-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCCC(CCC)CNc1ccc(F)cc1C	2004705119	FGMUBBFBCWXEPF-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CCC1(CC)CCC(N)([C@H]2CCC[C@@H]2C)CC1	2006754321	JIOFOFQNOLKEFM-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC1=C(C)[C@](O)(C[C@H](C)CC(C)(C)C)CCC1	2006973082	TYYKXZJPVIEMIT-MLGOLLRUSA-N	238.415	4.700	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@H](CCC)CC(C)C	2007856768	GGRXIEXUZIDCSA-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@@H](C)C(C)C	2007938043	UCLNFPLISMURSV-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@H]1CCC(C)(C)CCC1=O	2009403338	BDKGSMXHJJOUOZ-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCC(C)(C)CC[C@H]1O	2009420889	RPYNVGDGHVFIRV-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1(C(C)C)CCC1	2009618014	YFISCTDKXILTPY-ZKKXHLJNSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](N)[C@@H]1CCCC(C)(C)CC1	2009619902	PKUCDKMGSAMSRM-DPOFCPOHSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@H]1C1(CCC)CCC1	2009771469	RLHYETRCCMYBBL-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCCCCC1CC(N)(CCC(C)(C)CC)C1	2009789070	GRSNPRDIYDNGNA-UHFFFAOYSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C1=CC[C@H](CC)CC1	2010716077	LXRXQBHWHOXZRN-OFQRWUPVSA-N	237.431	4.667	0	10	BJAE	
CCCC(CCC)[C@H](N)C1=CCC(C)(C)CC1	2010729141	LUYJHBVZWJZZRE-HNNXBMFYSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@](CC)(CN)CC[C@]12CCC[C@@H]1C2	2011022530	CXSGEQKRJHDRRO-PMPSAXMXSA-N	237.431	4.502	0	10	BJAE	
Cc1cccc(N[C@H]2CCCCCC23CC3)c1	2011276675	CZNJNTZSWULERZ-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
CCC(C)(C)CC[C@@H]1C[C@H](NC)CC(C)(C)C1	2012042089	QQJKYGABOBTHGZ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@H]1C[C@@H](O)CC(C)(C)C1)CC(C)(C)C	2012065203	VYASKNAJZOMOTE-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CC(C(C)C)C(C)C	2015278965	SUMHKPPAWGBGCE-GDBMZVCRSA-N	242.447	4.738	0	10	BJAE	
CCC(CC)C[C@@H](N)CCC(C(C)C)C(C)C	2015361775	YWHQHRBUMCZEMI-HNNXBMFYSA-N	241.463	4.848	0	10	BJAE	
CCC[C@@](O)(CC1(CC)CCC1)[C@@H]1CC1(C)C	2015600231	ZHDUZZYCJVAOIP-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)[C@@H](CC1(CCC)CCC1)NCC	2015640420	RUFUMXYECBTPRS-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC(C)C)C1(C(C)(C)C)CCC1	2017130344	BBIOFIVPJKUDCA-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@@]2(C)CCCC(C)(C)C2)C1	2017623381	PPYOARGUCYMYOF-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CCCC[C@H](N)C2)CC1	2017731722	VAOCOIVFCVGRDQ-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)CCC2CCC2)CC1	2017774820	TYKRLPXEAGRSMB-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCC(F)(F)CCC1=O	2018854270	RIWPAWZBZNENOC-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](C)CN1CCCCC12CCCCC2	2019288622	YGUQGNPTVGLIII-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1C[C@@H]1C1CCCCC1	2022348750	JHNGZNZSAFZKFN-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCCCC(C)(F)F	2023365086	STHFMJYTLHQPDR-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CC[C@@H](N)[C@H](C)CC1CC(C)(C)CC(C)(C)C1	2024100642	DSSFPKFBRQDABS-TZMCWYRMSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC(=O)[C@@H]([C@H]2C=CCCCCC2)C1	2024124286	MPLBSPLHMNXZKF-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C1C(C)(C)C1(C)C	2026144607	NVTMBTOUMPAXQD-QWHCGFSZSA-N	240.431	4.636	0	10	BJAE	
CCCCCCC(=O)Cc1ccccc1C(C)C	2027508369	FGOFCPZJLTYTRX-UHFFFAOYSA-N	246.394	4.892	0	10	BJAE	
C[C@@H](CC(=O)CC[C@H]1CC1(C)C)c1ccccc1	2027815468	NTEXJOOOYYGGRB-ZFWWWQNUSA-N	244.378	4.576	0	10	BJAE	
CCc1cccc([C@H](O)[C@H](CC(C)C)C(C)C)c1	2028235932	UZLMGBKCBPEOSB-SJORKVTESA-N	248.410	4.601	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(C2(C)CC2)cc1	2028589849	DONLSJKKGOWNOG-CYBMUJFWSA-N	244.378	4.747	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1C[C@H]2CCCC[C@@H]21)C1CC1	2028786034	IFIQMYFTULGHOV-VHDGCEQUSA-N	248.410	4.598	0	10	BJAE	
OC1(C[C@H]2CC=CCC2)CCC2(CCCC2)CC1	2028874498	SEOYQUSHAMWAMQ-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1NC[C@]1(C)C=CCCC1	2030351601	LQUIEYZGDDDWSG-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CCC(=Cc2ccc(N)cc2)CC1	2031659287	BSKRGHUIANVTJR-UHFFFAOYSA-N	243.394	4.889	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@H]2CC[C@@H](C)C2)cc1	2033402179	OVHNLRYQZUDCBK-OQUILHJVSA-N	246.394	4.670	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)C12CCC(CC1)C2(C)C	2033440707	AWVGQTTVFCQIBU-GXZXJKLZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1C[C@@H]2CCCC[C@@H]2C1	2034151567	YKPBKTYMQKYBEK-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CC=C[C@H](C)N[C@H](CCCCC)c1ccccc1	2034980174	URBFEUXGLGWALW-DOTOQJQBSA-N	245.410	4.862	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)C[C@@H]1C=CCC1	2035587491	DSJSJNXPGQLRKK-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(N)CCCCC23CCC3)C1	2035926608	QSXVGRPGNFZXGA-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCC1(CN[C@@H]2C[C@H]3CCCC[C@]3(C)C2)CCC1	2036664507	KSGUMCXMZWCFRP-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@H](NCC1CCCCC1)C2	2036666732	QZJJPFDGXREFII-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@](C)(N)Cc1ccc(C(C)C)cc1	2037087357	NUIRINIAZREVGL-KRWDZBQOSA-N	247.426	4.650	0	10	BJAE	
CCC(C)(C)CC[C@@](N)(CC)c1cccc(C)c1	2037138275	GVLISYVCNWCIAO-KRWDZBQOSA-N	247.426	4.775	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CC2CC3(CCC3)C2)C1	2038090364	QWXYULHTBLPHLD-WBVHZDCISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@H]1CCC[C@H](C)CC1	2039364079	UZWZMPDPYWIZGG-DZKIICNBSA-N	249.398	4.537	0	10	BJAE	
C[C@H](N[C@H]1CC[C@H]2CC[C@H]1C2)C1(C)CCCCC1	2039862367	NJCQOBNJXCKNFY-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CCC1CC(N[C@H]2CCCC3(CCCCC3)C2)C1	2040763895	WANIDFFCLUYEOU-PCKAHOCUSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCCC3(CCC3)C2)[C@H]1C	2041291216	XLALFVNIOJAMGY-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](NC[C@@H]1CCC[C@@H](C)CC1)c1ccco1	2041383829	QMLBEEFUDXNWRS-KFWWJZLASA-N	249.398	4.537	0	10	BJAE	
CC(C)NC[C@]1(CC2CC(C)(C)C2)CC=CCC1	2042091108	ILWIGFQPZVQJDC-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C1CC2(CCC2)C1)N(C)C1CCCCCC1	2043568986	GDFZMBDHCBYPFI-CQSZACIVSA-N	249.442	4.610	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@H]1[C@H]2CCCCC[C@H]21	2048384311	PQVIWYLAQBBAPG-FZKCQIBNSA-N	249.442	4.514	0	10	BJAE	
C[C@](N)(CC1[C@@H]2CCCCC[C@@H]12)C1CCCCC1	2048443433	OARIKSMAESCTLM-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)C[C@H]2CC23CCCC3)C1	2049527450	BZUPADZOMADAQQ-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC1(CC(=O)C2CC(CC3CC3)C2)CCCCC1	2050215208	AMBRBCMBSTUOMN-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC[C@H](C)C1)c1ccco1	2050527530	JVRGNQSWJSGHPP-SOUVJXGZSA-N	249.398	4.537	0	10	BJAE	
C[C@H](NCC1(C2CCCCC2)CC1)C1(C)CCC1	2052344308	HHUYJXUJNJSLMO-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC1(CNC2CC(C3CCC3)C2)CCCCCC1	2052503395	UKKCXYZGQKODGW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
F[C@H]1CCCC[C@@H]1Nc1cccc(C2CCC2)c1	2055146529	MXRMHAMIABDKKF-HOTGVXAUSA-N	247.357	4.647	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(CN)CCC3(CC3)CC2)C1	2056523436	OOYFAPNPCXGIPX-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C1=CC[C@@H](C)CC1	2060926226	PRAFDRFNSWZWAX-PBHICJAKSA-N	247.426	4.601	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)[C@@]1(C)CC=CCC1	2062640378	CHCAOCZHIWTOIK-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CC1CC(N[C@H]2CCC23CCCC3)C1	2067982982	NJQTZVBMGAXTHU-NRXISQOPSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)c1ccc(CC)cc1	2068815756	CJSVIOUNTYVDQD-WMLDXEAASA-N	247.426	4.582	0	10	BJAE	
CC(C)C(CC=C1CCC2(CCC2)NC1)C(C)C	2068947452	CXMNNYXDTRJHHW-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@H](NC)[C@H]2CC(C)=C[C@H](C)C2)CCC1	2069281627	ZNWADZGQOBUPTB-IMJJTQAJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@]12CCC[C@H]1C2)C1(C)CCCC1	2070960487	WVHZNIQAGJOPGV-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)CCC2(C(C)C)CCC2)cc1	2071912868	KYJPMFGUHFWBBZ-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)CCC1	2071926526	QDALFKRTMYISNF-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC2CC3(CCC3)C2)CC1	2072680869	BQBDTBBPAVKCSJ-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@]2(N)C[C@H]3CCCC[C@H]32)CC1	2072801191	LQUNWBIJDQUPEX-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@](C)(N)C2CC3(CC3)C2)CC1	2072807009	RBHMOTIXKQCVQK-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(CC(=O)c2ccoc2C)CC1	2072871901	VFAILUSDLBTTJJ-UHFFFAOYSA-N	248.366	4.767	0	10	BJAE	
CCC1CCC(N(C)[C@H]2CCC23CCCC3)CC1	2074865555	ZGIBXJJHNSWVQQ-GPANFISMSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CC=CCC12CCCC2	2074898046	ACSMPAUPVSJBEP-HOTGVXAUSA-N	247.426	4.530	0	10	BJAE	
CCCCN(Cc1ccc(C)c(C)c1)[C@H](C)CC	2074917281	TZSAZLKAWWBHOV-MRXNPFEDSA-N	247.426	4.704	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@@H](O)CCC2=CCCCC2)C1	2075717724	PMCLDWVQIIFKJC-XKQJLSEDSA-N	248.410	4.620	0	10	BJAE	
CC=C(CC)[C@H](NCC)c1cc(C)c(C)cc1C	2077190897	XFPLDILTEVCSDZ-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
Cc1c(F)cccc1C(=O)[C@H]1CCC[C@@H](C)CC1	2077846185	VZPOCFJZLSLJLX-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2C[C@H]2C2CCC2)CC1	2079301380	BEIRGSYLUZPNSK-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(N[C@H]2C[C@H]2C2CCCCCC2)CC1	2079530657	RFKIWGHXWUAMIB-IRXDYDNUSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1ccccc1C1CCC1	2079639341	IAVDSWJWJRQTRP-CABCVRRESA-N	243.394	4.802	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1C[C@H]1C(C)C	2079810156	AJJCKABVTKQFHQ-CVEARBPZSA-N	246.394	4.789	0	10	BJAE	
CCN[C@H](C=C1CCC1)C(C)(C)C1CCCCC1	2080242263	OZIPRKORGGCZTM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCc1ccccc1[C@@](C)(O)C[C@H](C)C(C)(C)C	2081209960	VKUJZOKJUKLZIG-GUYCJALGSA-N	248.410	4.529	0	10	BJAE	
CCCCC[C@](C)(N)c1cccc(C(C)(C)C)c1	2083541442	KZQIOVJKTRJVPM-KRWDZBQOSA-N	247.426	4.738	0	10	BJAE	
C[C@H](CCCCN)CCCCCCC1CC1	2210524713	GPKHBURNSPNNKT-AWEZNQCLSA-N	225.420	4.502	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)CCC1CC1	2213573289	GAVOZOSTFWMHTK-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC1([C@H](CCCCC2CC2)NC)CCC1	2214565963	RFIAODIPWMUSOY-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCCCC1CC1)C[C@H](C)C(C)(C)C	2214574117	RXFWUOSGXIQKQN-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1CC)C[C@H](C)CC	2215245836	FHSRNLPDGZCWQL-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@H](C)C1CCCCC1	2215344634	DKCDDTIQOIKJLT-NFAWXSAZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(C)(C[C@H](O)CC2CCCCC2)C1	2215388249	UPKJZJOZUYAVAU-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@](CNC(C)C)(CC(C)(C)C)CC1	2215831844	DUYVRFFLLKGKAV-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)C1(CN[C@H](C)CC)CCC(C)CC1	2217125469	PTKXTRJSOUOZCP-PWUWZPNHSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CCC(C)C)CC=CCC1	2217143014	TZJFSRIPDLYMCX-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CN[C@@H](C)CC)CC1CCCCC1	2217149249	HPNQYIYDQDFZMJ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N[C@H](C)c2ccc(F)c(C)c2)cs1	2217344732	CDHRACFVPOQMQW-LLVKDONJSA-N	249.354	4.677	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218330118	FDQRJJXFCVKKOQ-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C(C1CC1)C1CC1	2218724872	LAGLNRZENQIUSL-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NCCCCCC1CC1)c1occc1C	2218749845	LJPQINPQDLVODX-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
Cc1cc(C/C=C/c2ccccc2)c(F)cc1F	2219068881	FGEOEBHQYTZPEM-VMPITWQZSA-N	244.284	4.529	0	10	BJAE	
CCN[C@@H](CC=Cc1ccccc1)CC(C)(C)C	2219073144	YAYPUJJTKVQYLC-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
Cc1cc(F)c(F)c(CC=Cc2ccccc2)c1	2219075202	ZRIXHGLKWDZLQI-UHFFFAOYSA-N	244.284	4.529	0	10	BJAE	
CCCC[C@H](NC[C@@H]1CC[C@@H]1C)c1ccccc1	2220598908	KOSACZZXZRWAKD-XIRDDKMYSA-N	245.410	4.554	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2C=CCCCC2)CC1	2221638230	ORYFPZYJPYTMOW-RDJZCZTQSA-N	246.394	4.829	0	10	BJAE	
CCCN[C@H](CC(C)C)c1cccc2ccoc12	2224180648	MDGAVRMTZXUAOD-OAHLLOKOSA-N	245.366	4.520	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)C1CCCCC1	2247112778	MGEQNOBYNRXBRF-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CCCCCC[C@@H]1O	2247164714	KCEFSGOUIMDOIS-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CCCCC[C@H]1C[C@H]1C	2248854986	QQZOFJKHJWILIA-XUWVNRHRSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)C1CC(C)C1	2250478071	DZHQBKOWDIJYGP-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1C[C@H]1[C@@H](N)CC[C@H](C)CCCC(C)C	2250486289	QSDYSEWJZDRCQT-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
Cc1cc(C(=O)[C@@]23CCCC[C@@H]2CC3)sc1C	2251130761	UXFHNKDLTIDMGB-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CC(C)(C)CCC1(C)C	2251663723	VILUSYDMMMYVCY-MRXNPFEDSA-N	237.431	4.667	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@H](C)C(C)(C)C)CC2	2253865507	PMUKTPMGJYWEDY-ZFWWWQNUSA-N	245.410	4.794	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2C[C@@H]2C2CCC2)C1	2253930305	MKVRMXICENXAJA-XOUADPBQSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN[C@H]2C=CCCC2(C)C)C1	2253962533	MNVQIUUJAZKOJI-PMPSAXMXSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]1CNc1cccc(C2CCC2)c1	2254964865	QRVVEVGUPCKKGL-OAHLLOKOSA-N	243.394	4.802	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H](C)C1CCC1	2255137650	PWXJCWQRZSHZOQ-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCCNCCC2)CC1	2256983116	LEGWUQQYTIFKQR-JCNLHEQBSA-N	249.442	4.683	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)[C@H]1CCC2(CC2)C1	2257297029	COZYCMAHZGNXOP-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(N)(CCCCC[C@H]1C[C@@H]1C)C2	2257318186	CBPXDORHTWGWPA-YTVKCJQUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2CCC3CC2C3)c1	2257905948	CYVORKJIYLVCAD-ZUEPYMLJSA-N	243.394	4.585	0	10	BJAE	
CCCC1CC(C(=O)CC2CC3(CC(C)C3)C2)C1	2259569638	WXVHDSQWUDEKSC-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(N)C[C@H]2C=C[C@H]1C2	2259598744	CINJZJBGPUVNSA-QAETUUGQSA-N	249.442	4.523	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@]12CCCC[C@H]1CC2	2260579569	RYQNTVJUSDNTQZ-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CCCNCC1(C[C@]23CCCC[C@@H]2CC3)CCC1	2260659602	XMTQHIMTIKNWGP-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
Cc1cccc(C=CC=Cc2ccccc2)c1	2297730492	BVHLLBTYUZJUOJ-UHFFFAOYSA-N	220.315	4.722	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@H]1CC[C@@H]2C[C@@H]2C1	2297867958	REACPKJOBAALOH-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1C(C)=CCC[C@H]1C	2300699035	CUXPCBVUJXISPV-CJNGLKHVSA-N	236.399	4.764	0	10	BJAE	
CCC(CC)CC[C@@]1(CN)CCC=CCCC1	2300703648	IVDCZHGQVKQTRL-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H](C)[C@H](C)C(C)C)CC1	2301684794	GXJBWIDRYQAOCP-FPCVCCKLSA-N	239.447	4.616	0	10	BJAE	
CC1(C)CCC[C@@]1(O)CCCC1=CCCCC1	2302326699	RXUAFJTXUILZRE-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCCC[C@H]2C[C@@H]21	2302836696	OISWWGYUXMWWGI-CORIIIEPSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCCC[C@@H]2C[C@@H]21	2302908772	XOKJFJIPZDXRQX-KWCYVHTRSA-N	249.785	4.639	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CC[C@@H]2C(C)(C)C)CC1	2303395219	QIKWWMVWRAJAPK-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)C[C@H]1CCC(C)=C(C)C1	2303519309	DEGFPCISYJBLKP-HRCADAONSA-N	237.431	4.523	0	10	BJAE	
CC[C@](N)(C[C@@H]1CCC(C)=C(C)C1)C(C)(C)C	2303520382	GRQMUMAZTOIQMX-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@H]1CC[C@@H]2C[C@@H]21	2310919971	GJWLIVWMTHYTOS-KLHDSHLOSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@@H]1C[C@H]1C1CCC1	2311472739	PNZKZIKEIOQLRX-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)C[C@@]12CCCC[C@@H]1CC2	2313322960	REBAJMUSPCBVAJ-WBOJAVRRSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@H]1C[C@H]2CCC[C@H]1CC2	2316701518	OQDURSLLEZNNIB-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
C[C@@](N)(CC1CCCCCC1)[C@H]1C[C@H]2CC[C@H]1C2	2316886239	QEGYADRVYVIFQU-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@H]2CCCC3(CC3)C2)C1	2319121229	LDVQUISMZVZVSB-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCC[C@H]1CC[C@H]1C1CC1)C1CCCCC1	2319747605	GNGYHWRSVDWEAC-XKQJLSEDSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](N)CC1CCC=CCC1	2320219696	OFMWZKJNEHNSTI-XHSDSOJGSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@H]1CC[C@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2320219772	PDYSCASDKWJAJP-VWPFQQQWSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](C[C@H]1CCC(C)=C(C)C1)C1CCCCC1	2320388855	UWPUMVOGXASFFJ-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC1CC(C)(C[C@@H](O)c2cccc(C(C)C)c2)C1	2320576128	LJIYUKHJDBUXFY-BLDCVEFLSA-N	246.394	4.670	0	10	BJAE	
CCNCC1(CC[C@@H]2CCC(C)(C)C2)CC=CC1	2321618118	AUGIBVMQAVCEKL-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CC[C@H]3CCC[C@@H]3N2)C1	2321645177	LRXZKQKPQKYPGM-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(N)c(-c2cc(C)ccc2C(C)C)c1	2327781085	HNFLOVRNLPWLKG-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1ccc(C(C)C)cc1	21009171	KJBIXOGHGSTAKD-CHWSQXEVSA-N	219.372	4.657	0	10	BJAE	
C[C@H]1CCC[C@@H](C)C1Nc1ccccc1Cl	21060178	SZDXEYCHMLSAIG-BVUQATHDSA-N	237.774	4.577	0	10	BJAE	
CCCCCCS[C@@H](CC#N)c1ccccc1	34435314	HJGAEWXWRAGXSX-HNNXBMFYSA-N	247.407	4.955	0	10	BJAE	
Clc1cccc(Nc2ccccc2)c1Cl	82714659	XPPZHMPJORETAN-UHFFFAOYSA-N	238.117	4.737	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NC1CCCCCCC1	83863512	FBVQBSGHMVWXNK-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(-c2cc(C)c(C)cc2C)cc(Cl)n1	84074803	PRWCANBXIRKHSZ-UHFFFAOYSA-N	245.753	4.636	0	10	BJAE	
CSc1cccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C)c1	85083361	GTSBTUAGISWQPN-SLEUVZQESA-N	249.423	4.645	0	10	BJAE	
CCc1cccc(N[C@H]2CCC[C@@H](C)CC2)c1	86879208	FAWDPGGICNYQDJ-HIFRSBDPSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H]1C[C@H](CCC)CC[C@@H]1NCCC	103949280	DMBRTXQAPZLCSU-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C1=CCCCCC1	104007834	VWNUQPRGRODXAC-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc([C@H](O)C[C@@H](C)CC(C)(C)C)c(C)c1	109784803	BRUYDAQPHDMHFH-CZUORRHYSA-N	248.410	4.799	0	10	BJAE	
CC[C@@H](C)[C@H](C)N[C@@H](C)c1c(C)cc(C)cc1C	109927804	KUCPXCWNKKXRTO-KCXAZCMYSA-N	247.426	4.697	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1ccc(CC)cc1	111817290	UKZHGNNAMDSZQQ-NVXWUHKLSA-N	248.410	4.889	0	10	BJAE	
CCCC[C@@H](CC)C/C=C\CCNCCC	211615430	WMVWUKOINGJEJR-WHLNPGIBSA-N	225.420	4.539	0	10	BJAE	
CC/C=C\CCCCCNc1ccccc1	212907671	LVYXIZXUNZQNMQ-ARJAWSKDSA-N	217.356	4.625	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CC[C@@H](C)C[C@@H]1C	226179652	PXPIVYUTQXYQIR-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCCC[C@]1(N)[C@@H]1CCCC[C@H]1CC	227022447	CPCXZMPUZSOOCK-QKPAOTATSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CCC2CCCC2)C1	229481407	GYHQNRMGQNMKCJ-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
C[C@H](N[C@@H]1CCC12CCCCC2)C1CCCCC1	230169515	BBUWMAYBEHPHSG-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](Nc1cc(F)ccc1Cl)c1ccccc1	231813244	SQRBCSFUXSFNBY-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)c1c(C)cccc1C	233168424	HQCFUDIEMOYVMV-XJKSGUPXSA-N	247.426	4.780	0	10	BJAE	
CC[C@H]1CCC[C@@H](c2cccc3c2NCCC3)C1	234084226	YVUUQCZZCOUUIA-DZGCQCFKSA-N	243.394	4.729	0	10	BJAE	
CNc1cccc(-c2ccc(C3CCC3)cc2)c1	234512694	XMFUIZPLDKVXOC-UHFFFAOYSA-N	237.346	4.663	0	10	BJAE	
Cc1cc(C)c2c(c1)[C@@H](CCC1CCCC1)CN2	235983621	UPDAGQAGNRLEBS-HNNXBMFYSA-N	243.394	4.783	0	10	BJAE	
CCCC[C@H](NC(C)C)[C@H]1CCCC[C@H]1CC	252591042	DGPXQGAPKOWRMJ-PMPSAXMXSA-N	239.447	4.760	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)C1(CC(C)C)CCCC1	300472587	YRYWBFBDVZJVQF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@H](N)CCCC(C)(C)C)C(C)(C)C	300775300	AMCTVKASYFJXQU-STQMWFEESA-N	227.436	4.602	0	10	BJAE	
COc1ccc(C)c(N[C@@H](C)CCC(C)(C)C)c1	302511903	NGMDDLFISQKVRX-ZDUSSCGKSA-N	249.398	4.630	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CCCC(C)C)NC	308041044	BGVDPNFQIYDZCU-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)CCCC(C)(C)C	308066071	MVXCWUNWEYRPCG-KGLIPLIRSA-N	227.436	4.602	0	10	BJAE	
Cc1cccc(-c2cccc(F)c2F)c1Cl	309322243	NWOVQUIWBRRZNK-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)CCC1CCCCC1	310069509	SQOBWJKGMPODRN-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2CCC[C@@H](C)C2)c1	310151932	PHVNETHGSPKZJP-DOMZBBRYSA-N	232.367	4.509	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)C[C@@H](C)C1CCCCC1	310242660	ITXKKNCWVMNYSG-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@@H](O)[C@H](C)C(C)(C)C)C1CCCCC1	310582260	RNHQOYDASWWQGZ-VNHYZAJKSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCCCC23CCCC3)C1	311110355	MKUDUSJALNBWFF-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1ccsc1Cl	312560053	CBZGHIZGJJAEOK-VIFPVBQESA-N	244.787	4.801	0	10	BJAE	
CC(C)[C@@H](N[C@H]1CCCC12CCCCC2)C1CC1	313011187	QBDWGOVZCXZRCE-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@]1(CNCC(C)C)CCC[C@H](C)C1	317935429	SBYYKWLTTNUCIK-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC(C)(C)C)CC[C@@H](C)C1	318088250	WZBFKJUHFWXBQN-IJEWVQPXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NCCC1(C)CCCC1)C1CCC1	322469090	NWWZSXVFFWUECD-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@]1(CCC2CCCCC2)CCCN1	379766244	JEWLCJJBBFHTFD-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)CC1CCC(C)(C)CC1	379989749	SLMJNGIRKKIKEW-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCCC[C@@]1(CC(C)C)CCCN1	383252516	KOJCSXQHDBKYJV-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CC1CCC(C)CC1)C[C@H](C)CC	383962349	XNFPKXKWLGCVSQ-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]1CCCC[C@H](CCC2=CCCCC2)C1	384885094	WAXKIEBWDSITCJ-IAGOWNOFSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1c1nc(C(C)(C)C)cs1	385034120	QIGQZKHHIUWDEO-MNOVXSKESA-N	237.412	4.734	0	10	BJAE	
CCCC1([C@@H](O)c2ccc([C@@H](C)CC)cc2)CC1	385192795	WAFXSOPAAWGSPI-BBRMVZONSA-N	246.394	4.814	0	10	BJAE	
CCCC[C@@H](C)Nc1cccc2ccsc12	386239749	OPOSKWVNQWHPIT-LLVKDONJSA-N	233.380	4.892	0	10	BJAE	
CC1CCC(C[C@@H](C)[C@H](O)c2ccccc2)CC1	386849406	SNSLSSJFNSPHPZ-BJDYSFLHSA-N	246.394	4.573	0	10	BJAE	
CC(C)CCCNc1cccc(OCC(C)C)c1	394103427	WNSJVDYXILAXIU-UHFFFAOYSA-N	249.398	4.570	0	10	BJAE	
CCNC/C(=C\C1(C)CCCCCC1)C(C)C	394682081	ZYQNSOGLLWWTFA-NTCAYCPXSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CCCC[C@@H]1NCCCC1CCCCC1	395258225	HVZJQYCJZHSUGP-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCc1sc2cccc(F)c2c1C(F)(F)F	396308889	SFRQZYFMQCTODY-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1sc2cc(C)ccc2c1C(F)(F)F	396311202	WRDBPNKUTAKREE-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NC)[C@H](C)C(C)(C)C	399237177	CRZBFGKFKMRAER-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CC2	402212144	NKFZPWYDVUFCND-YHUYYLMFSA-N	248.410	4.764	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CC(C)(C)C1CC1	405737194	NXSJBSKBYVMRLO-INIZCTEOSA-N	245.410	4.636	0	10	BJAE	
CCC1([C@@H](N)CCC(C)(C)C2CC2)CCCC1	405892521	SIMPFRYSBAUZTJ-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H](CCCC2CC2)Nc2ccccc21	406088423	BERGDQUPLXEIJE-GXTWGEPZSA-N	229.367	4.555	0	10	BJAE	
CC(C)(C)[C@H]1CCCC/C1=C/Br	606287919	BYAUMAVROLIDCH-QROTZFDESA-N	231.177	4.502	0	10	BJAE	
Cc1cc(Cl)c2nc(Cl)cc(Cl)c2c1	606291693	RATKLWMKSRXBIP-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1cccc(C)c1	691132367	CCNJXFLNENNAGL-GOEBONIOSA-N	231.383	4.766	0	10	BJAE	
CC(C)CC(=O)[C@@H](C)c1ccc2ccccc2c1	695074500	PLXVKSNRTIUOKU-ZDUSSCGKSA-N	240.346	4.559	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@H]1CCC12CCCCC2	695152765	LPHBDFBNMCCGGX-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CC(C)=CCCC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	697805543	BSMFCKYPYPNFHA-ZIAGYGMSSA-N	236.399	4.764	0	10	BJAE	
CC(C)NC/C(=C\[C@H]1CC1(C)C)C1CCCCC1	700663363	LYBUYQSGVDDOCS-KMPOOHAWSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@@]1(C)CC1(C)C	702186335	MYBJDQHFIYWDFF-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCNCCC1CCC(C)CC1	703955649	QYYYTRWGTBSEGG-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@@H](CC[C@@H](O)c1ccccc1)CC(C)(C)C	709077568	SNDHHEZQFUMQDS-DZGCQCFKSA-N	234.383	4.573	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)C[C@H](C)CC(C)(C)C	709107536	QQOYJJPOWCEUDZ-ZNMIVQPWSA-N	241.463	4.863	0	10	BJAE	
CN[C@H](CC[C@H](C)CC(C)(C)C)C1CCCC1	709109505	WUHHPTXYQSRFBW-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@](C)(N)CC(C)(C)C	709200307	IWONGRZTKGQTCH-WFASDCNBSA-N	227.436	4.602	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](N)C[C@H](C)CC(C)(C)C	709210094	CWANTOJINIDHNM-KBPBESRZSA-N	241.463	4.704	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H](C)CC(C)(C)C	709250104	SGLKQXZVZICAAL-LBPRGKRZSA-N	232.367	4.504	0	10	BJAE	
CCC[C@@H](Nc1csc(C)c1)C1CCCC1	710729060	GITMFBWCFGVLBZ-CQSZACIVSA-N	237.412	4.827	0	10	BJAE	
Cc1cc(N[C@H]2CCC23CCCCC3)cs1	710773738	JIKDFXGZHDFSTA-ZDUSSCGKSA-N	235.396	4.581	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C[C@H](C)C(C)(C)C)CC1	711123382	BTYRUMXFTLAVAI-AJNGGQMLSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](C)NCCCC1CCC1	711161047	YBSYMDHVDUXMLJ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC[C@H](CC(=O)CCCC(C)C)C(C)(C)C	711179839	QQANHRATSUYZJZ-CYBMUJFWSA-N	226.404	4.844	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]21	712486623	ILJKRAIJHBARLM-QUSNUVHPSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C[C@@H](CC)C(C)(C)C)CC(C)(C)C	713170127	UAXAPQSGFPLILG-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(N)CCC12CCCCC2	713208833	SXGPCLIEDAZOIE-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CNCC(C)C)CC(C)(C)C(C)C	713224014	XPBBCPXKSIUHEU-OAHLLOKOSA-N	241.463	4.721	0	10	BJAE	
C=C/C=C\CCc1cccc(Cl)c1Cl	713736251	CPFVEBOMEYOOLU-ARJAWSKDSA-N	227.134	4.668	0	10	BJAE	
C=C/C=C/CCOc1cc(Cl)ccc1Cl	713741048	WNDMIKYDPAUUMH-ONEGZZNKSA-N	243.133	4.505	0	10	BJAE	
CCCC1(CN[C@@H]2CC[C@H]3CCCC[C@@H]32)CCC1	714268022	MCRWPDRNXYZTQR-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CCC2CCCCC2)[C@@H](O)C1	717488651	LVYLNGKQRDJOID-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C(C)(C)C1CCC1	718490998	DGCCMOYFFUOMLA-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCCCCC1(C)C	719192225	NAWYBMZASGPOLK-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(CC)C(=O)c1cccc(CC(C)C)c1	721702744	AEZHUWPBMUQVCO-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cscc1C(F)F	721710851	WVTLFYRVHMSDAY-SNVBAGLBSA-N	248.338	4.545	0	10	BJAE	
CC1=CC[C@@H](NC2CC(C)(C)CC(C)(C)C2)CC1	1560712431	KQCRSVIEZFQZDO-CQSZACIVSA-N	249.442	4.680	0	10	BJAE	
CCC1(C)CCC(NC[C@@]23CCCC[C@H]2C3)CC1	1561008832	KBVKNYDVPVWBFF-OTBWCIGPSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CC/C=C(/C)[C@@H]1CC(C)(C)CO[C@H]1C	1565517696	SJQNVWHNHXDMMZ-FVIMBVCGSA-N	236.399	4.740	0	10	BJAE	
C[C@H](CN(C)[C@@H]1CCCC[C@H]1C)CC(C)(C)C	1653292854	KTUGBQKOOIVYRQ-RRFJBIMHSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CCC(C=C(CN)C2CCCCC2)CC1	1883833558	WQMIHKZAQQBRHU-UHFFFAOYSA-N	249.442	4.668	0	10	BJAE	
CC=CCCCCc1ccc(Cl)cc1	1885359496	URHHHQZYURMSPU-UHFFFAOYSA-N	208.732	4.629	0	10	BJAE	
CCC(CC)CC(C)=CCCNC(C)(C)C	1885721809	QNIWOUHIDUEUOP-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H](C)CC1CCC1	1899416526	NCIHTBCYRMCVAO-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)CC1CCCCCC1	1908579036	ZRGDUFFQJOCDHK-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
C[C@@](N)(C[C@H]1CC[C@H](C)CC1)C1CCCCC1	1909703106	KIJBUUYFRFJPSJ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)CCC1CCCCC1	1910807465	IBDGDXYEBZSDBH-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)C[C@@H]1CCCCCCCC[C@H]1N	1913430508	LYPHTSQODCOJJW-UONOGXRCSA-N	225.420	4.501	0	10	BJAE	
CN[C@@H]1C[C@H](C)CC[C@H]1CCCCCC(C)C	1916009203	GHIJTKJAVDUFCN-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2CCC[C@@H]2C)C=CCCC1	1916565977	VOEVKZFBGQBKSI-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc1Cl	1917358523	QQSGXXBZIAERNF-RWMBFGLXSA-N	249.785	4.503	0	10	BJAE	
CCC[C@H](C)C[C@](O)(CC)c1ccc(CC)cc1	1919611842	VXZJTKZGZGOTAZ-WMLDXEAASA-N	248.410	4.673	0	10	BJAE	
CC[C@@](O)(CCC1CCCC1)c1ccc(C)cc1	1919882316	XMSVRMAOPMBVDH-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CCC[C@H](C)C[C@@](O)(CC(C)C)c1ccccc1	1920030207	ROAOZNNOUBSFSU-RDJZCZTQSA-N	248.410	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CC[C@H]2CC2(C)C)CC1	1921548284	FMINPSDRYNUGCY-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CC1CCCCC1)[C@@H]1CCCC12CCC2	1921596386	WTTDRHQOUIOEIE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
NC[C@H]1CCCC2(CCC2)[C@@H]1CC1CCCCC1	1924837028	JQDVVPPQEONSFE-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
CCCC1CC([C@@H](C[C@@H]2C=CCCCC2)NC)C1	1925772629	NPWTZNGAMAWIBO-RDHHWEPZSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)C1(C)CC(C)(C)C1	1925809467	ISSXQLSERFHEIC-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CCN[C@H]1CCC[C@@H](C(C)C)C1	1926159553	MFZJCWUSIWJSPB-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](N)c1ccccc1C1(C)CC1	1926386043	ZEVAYJZCMVTAQK-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CCCC[C@@H](NCCC)[C@H](CCC)C(C)C	1936206574	HPSPJMHZMXWRRZ-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H](N)CCC1CCCCC1	1940854263	VSFFNCFAYPAXJZ-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC1(C)C)C(CC)CC	1940857066	SYBCEZMBBIPFOE-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@H](O)CCCC1(C)CC1)CC(C)(C)C	1940874198	DPUPYOIUASWNKW-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@H](C)C1CCC(N)CC1)CC(C)(C)C	1940967837	UVYUXEIEOGDEEV-HESLUPGFSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@@H](CC(C)C)C(C)C	1941246014	OODGDLMBVNENBZ-LSDHHAIUSA-N	242.447	4.882	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)[C@@H](CC)C(C)C	1941262605	HLTVUTHSEWWKQC-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
Cc1cscc1CNc1ccccc1C(C)C	1941468034	LTGLBTMCKHXMEC-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
CCC(C)(CC)[C@H](CCCCCC1CC1)NC	1941592446	UISXJXCKXJSGEF-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H]([C@H](C)CCC(C)C)C1	1942654465	ARAGWHQFWUYDRR-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@H](C)C1(O)CCC(C(C)C)CC1	1942660252	KKKRHYBVAXIEDM-FHERZECASA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)C1CCC(CC)CC1	1947464101	GDSKINWMSPQCNN-GRAKBVBRSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2C=CCCC2)c1	1947575322	GXZQSERSVLDHBK-AWEZNQCLSA-N	229.367	4.578	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H](C)[C@@H](C)CC(C)C	1948324899	DHGQSNAJDUZMJR-AAEUAGOBSA-N	237.362	4.617	0	10	BJAE	
CCC1(C)CC([C@H](O)CCCCCC2CC2)C1	1948405416	MLMBJDNLNDGYGY-HWOWSKLDSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)CC(C)C	1948847489	LPQYHFRSAXMIIS-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCC(O)(CCC)[C@@H]1CCC2(CCCC2)C1	1949454650	YREHERSOWNEKCV-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)C(C)(C)C	1949824146	VBDYNYGFLIKBOV-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=CCC[C@H]1CCCC(F)(F)C1	1956135124	NEFGKWUDONSQNL-NSHDSACASA-N	202.288	4.558	0	10	BJAE	
CC(C)=C(C)CCC(=O)c1ccsc1Cl	1959879208	OMKDCKCOUNFAAO-UHFFFAOYSA-N	242.771	4.721	0	10	BJAE	
CC(C)CC[C@@H](C)NCc1ccccc1C(C)C	1962923863	ZGLOQUFAAWOKKJ-OAHLLOKOSA-N	247.426	4.724	0	10	BJAE	
CCC1(C)CC(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	1967858989	YVXMBKWYZDHZPZ-CGLCSIQHSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCC3(CCC3)C2)cc1	1968294646	PKJPWQMJVQKBLL-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CCCC[C@@](C)(CNCCC)C[C@@H](C)CC	1978664984	TWJKFUWLYPFMMH-LSDHHAIUSA-N	227.436	4.619	0	10	BJAE	
CCCCCC1CCC([C@H](O)CCC)CC1	1980344050	FOUJLTJMBDRXLG-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](NC)C1(C)CCCCCCC1	1981416989	WCPHECLSQOBSKB-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CCCC[C@@H]1CC	1984592466	CNLUTHQTKJOVQA-KBPBESRZSA-N	222.372	4.518	0	10	BJAE	
CC=CCCC[C@H](CCCC(C)C)NCC	1984650419	XGEQKPPLKIHWAX-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
C=C=CCCC[C@@H]1CCCC[C@H]1C(F)(F)F	1985447718	MKPGLBDRUGUOEQ-VXGBXAGGSA-N	232.289	4.867	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H](C)CCC(C)C	1990875625	PNBSFWRUBRHECG-AWEZNQCLSA-N	227.436	4.569	0	10	BJAE	
CC(C)[C@H]1CC[C@H](Nc2ccccc2Cl)C1	1994914792	RUJJJRLASRMTBA-RYUDHWBXSA-N	237.774	4.577	0	10	BJAE	
CCC[C@@H]1CCCCN(C[C@@H](C)CC(C)C)C1	1995743174	FQJKUPZNLRYGKC-JKSUJKDBSA-N	239.447	4.571	0	10	BJAE	
CC(C)=C(C)CCN[C@@H](C)C1CCC(C)CC1	1996560598	FVZAWJMYWQIXPH-SIWZUTFBSA-N	237.431	4.537	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@@H](C)C1CC1	1996573324	LKEURBBAQNGFMW-GFCCVEGCSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)[C@H]1CCC[C@@H](CC)CC1	1997105457	MTNKFGJAOZHZCR-XQLPTFJDSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)CC(=O)[C@@H]1CCC[C@@H](CC)CC1	1997114607	FDCCJJWCJVHEJD-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)CCC1CCC1	1998033039	WZZIXWVNOAJAMQ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@H]1CCC=CCCC1	1999988959	VMIATCVQLGSOJC-CABCVRRESA-N	236.399	4.764	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)c2ccc(Cl)cc2)C1	2000189765	CALRJECRMXGULG-ZWNOBZJWSA-N	248.753	4.515	0	10	BJAE	
CCCCCN(CCC[C@H]1CC1(C)C)C(C)C	2000899971	IHNUOILSKBYGGI-HNNXBMFYSA-N	239.447	4.713	0	10	BJAE	
CCCCCC[C@@]1(C(=O)O)CCCC(C)(C)C1	2002973432	GNFBCLOAIPMRBT-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](C)N(C)CCC(C)(C)C)C1	2002986160	VXDMWWRGHNPNJR-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](C)CN[C@@H](C)[C@@H]1CCCC(C)(C)C1	2003028754	YDXKRLZWTUXHFA-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1CCC(C(=O)[C@H](C)CC)CC1	2003069505	YXVCQWNEMUKBDX-WLYUNCDWSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C[C@H]1CCCC2(CC2)C1	2003191637	PODTWAOWIOAAPA-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@H]2CC[C@@H]21	2004797504	OGZJYVTZNOQNSK-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)[C@H](C)NCC1(C)CCCCCCC1	2004936803	FPHPLYVLXQXDQO-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCC[C@]1(O)CCC[C@@H](CCC)CC1	2009591691	IZAICHUDSDSNEK-CFSAUIFESA-N	238.415	4.844	0	10	BJAE	
CCCC(CCC)[C@H](O)C1=CC[C@@H](CC)CC1	2010713798	OGTMXDNQOSSGRP-CJNGLKHVSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)C=CCC(C)(C)C1	2012050867	GCRKMIJJEIGCJU-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C12CCCC1CCC2	2012137175	VTPBPMZCWJFXEH-HLIUYOAVSA-N	236.399	4.598	0	10	BJAE	
CSc1ccc(N[C@H](C)C2(C)CCCC2)cc1	2014330664	FAKAAKSNMQOVAH-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CCCCCC[C@@H](CC(C(C)C)C(C)C)NC	2015284944	RTGLGHWEAAHFFF-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@@H](C)C[C@H]1C	2016149864	NSNUKIQHDKBKRE-LVQVYYBASA-N	237.431	4.536	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1CC12CCCC2	2018135923	FNHRFMUMEACNLM-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H](C)CC(F)F	2018188814	PNMAUPKQTRHGCH-STQMWFEESA-N	249.389	4.568	0	10	BJAE	
CCCC1(C[C@]2(N)CCC[C@H](CC)CC2)CC1	2019000976	OIKYNAALZSSJRB-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H]1CCC[C@]1(O)CCC1=CCCCC1	2019782774	YPEFNEKROPWFJQ-HOTGVXAUSA-N	236.399	4.598	0	10	BJAE	
CCCCN(C[C@H](C)CC(C)C)C1CCCC1	2020535200	CRCHTWGAMJAPLA-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
C[C@@H](N)C[C@H](C)CC1CC(C)(C)CC(C)(C)C1	2024092420	QZVSMJRLESCCRX-QWHCGFSZSA-N	239.447	4.602	0	10	BJAE	
CCNC[C@@](C)(CC)C[C@H]1CCCC(C)(C)C1	2024093698	DLMWHDVIIFIGBT-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
Cc1cccc([C@](C)(N)CC2(C)CCCCC2)c1	2027307171	SMWCEJVIVCJFRA-QGZVFWFLSA-N	245.410	4.529	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C1=CCCCCC1	2027521580	ZKFFBJOEWLFDGA-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
Cc1cc(C)c([C@@H](O)CCCC2(C)CC2)cc1C	2027835254	ZYPLVNPECLPEAV-INIZCTEOSA-N	246.394	4.616	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1ccc2ccccc2c1	2028237608	BCZVCPFSUZKOIH-IAGOWNOFSA-N	242.362	4.555	0	10	BJAE	
CC(C)Cc1ccccc1[C@H](N)[C@H](C)CC(C)C	2028917083	AKGYXBVGGHAZDK-RHSMWYFYSA-N	247.426	4.567	0	10	BJAE	
CC=C[C@H](NCCC)c1ccccc1CC(C)C	2028917781	CIMDSQKFTNQHIT-KRWDZBQOSA-N	245.410	4.502	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H]1CC(C)(C)CC2(CC2)C1	2030289298	XDKDSYVTVOHSLU-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)[C@H](O)c1ccc(C2CCCC2)cc1	2031747291	VNWGYSPNTGHRJY-GUYCJALGSA-N	246.394	4.814	0	10	BJAE	
CC1(CCCN2CCC3(CCCCCC3)C2)CC1	2032393118	ZFCQEFOELSMSCH-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
C[C@H]1CCC[C@H]1CN1CCCCC12CCCCC2	2032670244	YDAXLFZLUGKCLL-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@H]1CC[C@@H](F)C1	2032945677	WWSKRCIGEIFBCP-CHWSQXEVSA-N	248.341	4.521	0	10	BJAE	
C1CCCC(NC2(C3CCCCC3)CCC2)CC1	2033057880	ZEMUUWUOQWXXLW-UHFFFAOYSA-N	249.442	4.802	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H]1CCC[C@H](CC)C1	2033810252	HHDMGIJWEMGRSH-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC12CCC2)[C@@H]1CC1(C)C	2035886602	QXWXXEUKOMKQFK-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CCCC[C@]2(C)C1	2036668755	VPZKTSBSDOHEGK-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)C1CCCCCC1	2037101863	LMPFJWGUCDLKRR-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CC1CCC1)[C@@H]1CCC2(CCCC2)C1	2037579594	JPXHFNUKGSDWMA-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC([C@@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037687341	ROTXVVKDOSLFMW-UIDBIOKJSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CC=CC1)CC1CCCCC1	2038163540	GJVQKOUELDELQR-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(NC2C[C@H]3CCC[C@@H]3C2)c(C)c1	2038622339	MFDDDMOBCZOZMF-HUUCEWRRSA-N	243.394	4.602	0	10	BJAE	
CN[C@H](c1ccccc1)[C@@H]1CCCC(C)(C)CC1	2039375750	LHKMRLCURDBKGW-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
CCCCCCC1(CN)CC2(C1)CC1(CCC1)C2	2039460604	SLXNCEMCEOKQPH-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@@H]1C1CC1)C1(C)CCCCC1	2039858914	GEAFOCJHSPCMJP-IMJJTQAJSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@H](CNc2cccc3ccccc23)C1	2040120853	QNUVGIZEOHRCAO-UONOGXRCSA-N	239.362	4.688	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](NC)C2=CCCCC2)CC1	2041379842	NWCRHFCUKZVVFS-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CCNc3ccccc32)C1	2045503598	DTYPGBZLTTWBRR-KBPBESRZSA-N	243.394	4.802	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@H]2CC23CCCC3)C1	2047022114	BHQQNQINNXEVFS-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@H]1CC12CCCC2	2047026998	OKDBINGFTOATBF-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047424376	KMFKCSVLPQREIK-GBJTYRQASA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2CCC3(CCCN3)CC2)C1	2048950352	JFZRWYWRNKNSEE-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC[C@H]1CC)[C@@]1(C)C=CCC1	2050004892	BJOOSFWJECMWIT-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](NCC2CC(C(C)(C)C)C2)CCC1	2055553173	WTNZJKALXDZYJV-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
FCCc1ccc(NCC2CCCCCC2)cc1	2055669179	HUGFXZWWIVFNNL-UHFFFAOYSA-N	249.373	4.581	0	10	BJAE	
CC1CCC(C)(C(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2056537578	XRNGNFMWNCGFTD-PRMLZIFMSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC(NC[C@]23CCCC[C@@H]2CCC3)C1	2058828086	PIFLHGVCJQOTJU-RDHHWEPZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2CCC3(CC3)C2)CC1	2059003341	MZEHHQBZMCQFDF-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC(C)C(C(C)C)[C@H](N)CC1CC(=C2CCC2)C1	2061703455	FQXRGIVIMXARPG-MRXNPFEDSA-N	249.442	4.523	0	10	BJAE	
CCCC(C)(C)[C@H](CC1CC(=C2CCC2)C1)NC	2061723980	WVSIXAZHDXSJPG-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
O=C(CC1CCC=CCC1)C1C[C@@H]2CCC[C@H]2C1	2063406256	KZOMZSVAEGWZGZ-GJZGRUSLSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C23CCCC2CCC3)C1	2063822475	SIEAQWOSGKKHLX-GJEMEMOUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC12CCC(CC1)C2	2065340433	WEELDGZASHEGLA-ODZFXCKXSA-N	249.442	4.645	0	10	BJAE	
CC(=C[C@@H](C)CC(C)(C)C)c1ccc(CN)cc1	2067344276	LLMUGEOBRNXMMZ-CYBMUJFWSA-N	245.410	4.621	0	10	BJAE	
CC1([C@](C)(O)CC2CC(=C3CCC3)C2)CCCC1	2067514679	OSJHYCRSUBFJNS-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)C[C@@H]1CCC=CCCC1	2068269682	ORWYRAXGWHQRPS-VYDXJSESSA-N	249.442	4.667	0	10	BJAE	
Cc1cccc(N(C)CCC(C(C)C)C(C)C)c1	2068997659	QHMZHWFPSDPOTC-UHFFFAOYSA-N	247.426	4.750	0	10	BJAE	
CCN[C@H](CC1CCCC1)C1(CC2CC2)CCC1	2069511553	QKFBOHXBCIJFDT-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C1(CC(C)C)CC1	2069516005	VHMXVFZLRNCSCU-INIZCTEOSA-N	249.442	4.703	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@@H]1CC[C@@H]2C[C@@H]12	2071198480	GJWLIVWMTHYTOS-JJXSEGSLSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H](Nc1ccc2ccccc2c1)C(F)F	2072002067	OCGUTZBXTIEUTF-CQSZACIVSA-N	249.304	4.541	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2C[C@@H]3CC[C@H](C2)N3)CC1	2072814828	GFDYRXNBOTWCNT-ZZCJBCQWSA-N	249.442	4.514	0	10	BJAE	
CCC1CCC(CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]32)CC1	2072874179	XSPZMXFOMFNNMF-SVXVCFNTSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@](O)(CC)Cc1ccc(C)c(C)c1	2073343429	VTCZKMPUJAJEOW-KRWDZBQOSA-N	248.410	4.567	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC12CCCCCC2	2074899479	KXPOVINEZKNSPJ-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
CCCN(C1CCCC1)[C@H]1CCC12CCCCC2	2075012782	MANOAFKMNXOVHY-INIZCTEOSA-N	249.442	4.754	0	10	BJAE	
CC(C)(C)C1CCC(N2[C@H]3CCC[C@@H]2CC3)CC1	2075230345	YXJNMSLXGDTNED-IRHLINNNSA-N	249.442	4.608	0	10	BJAE	
CC1CCC([C@@H](C)N(C)[C@H]2C=CCCCC2)CC1	2075405846	VMKOWERIQWZMMB-MYBQVCMBSA-N	249.442	4.632	0	10	BJAE	
CCC1CCC(C[C@@H]2CCCNC23CCC3)CC1	2076651109	RISKDHPZXYSXSL-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@H](Nc2ccccc2C2CC2)C1	2077264332	PKVSCOLMLLBOFD-XNJGSVPQSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@H]1CCCCC1(C)C	2080221391	SFAFHGNLEWZJAD-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@H](N)CCCCCCCC1CC1	2210525750	UUSVKFSGXBCRRE-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCC(O)(CC)CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213293945	GJPFINMZVZNJJK-FICVDOATSA-N	238.415	4.534	0	10	BJAE	
Cc1csc([C@@H](N)C2=CCCCCCC2)c1C	2213644449	FZAQVHTTZLWZQN-AWEZNQCLSA-N	249.423	4.645	0	10	BJAE	
C[C@@]1(C(F)(F)F)C[C@H]1CC=Cc1ccccc1	2213823768	XMYLMFKDGQEEJV-CHWSQXEVSA-N	240.268	4.678	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@H](N)C1(C)CCCCCCC1	2214961875	SEQHKFKWUDLGDQ-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@]1(CCC(C)C)CC=C(C)CC1	2215841490	ZHFZHSORMLTIMR-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCc2cc(C)ccc2N1	2217469669	UKSUDJJPEZFJHF-WFASDCNBSA-N	231.383	4.548	0	10	BJAE	
CCCC1(CN2CCC[C@@H](CC=C(C)C)C2)CC1	2218175437	RUOQLUIRYLZJER-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CN[C@H](CC=C(C)C)CC1C[C@H]2CCC[C@H](C1)C2	2218348659	IDAKVLJEVBNPEQ-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
C[C@@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCCCN1	2218354465	RZVUDUOFVZRJMC-HZMVEIRTSA-N	249.442	4.515	0	10	BJAE	
N[C@@H](C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCCC1	2218356463	MGUKPFGVUXHCMK-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218359901	WFRUAWOEOQDABR-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CN(CCCCC1CC1)C[C@H]1CCC=CCCC1	2218675824	ZMBIQLFWXIKHML-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CCCc1ccccc1[C@@H](O)CCCCC1CC1	2220028370	RLEDBQLMBHCXBR-KRWDZBQOSA-N	246.394	4.643	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)[C@@H]2CCCC23CCC3)C1	2221028811	UBUPJRGBRYPBSP-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(NCC2C[C@H](C)C[C@@H](C)C2)CC1	2221596326	BOZRBXGHOBYTPN-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCCNCc1cc(C)cc(C2CCCCC2)c1	2221799109	NHVUTSFIMXGRTC-UHFFFAOYSA-N	245.410	4.542	0	10	BJAE	
CC1(C)CC[C@]1(N)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222983564	YWHDGWCLLQIUSU-ANQUJSFKSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)c1cccc2ccoc12	2224181814	RRVMZYKRJYQVCG-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CC[C@H](C)SCCCCCCCCCCO	2244424834	NGLQRBGBNWAAAC-AWEZNQCLSA-N	246.460	4.631	0	10	BJAE	
CCCCCC(=O)c1ccc(C2CCC2)s1	2244712607	WVZODPRQHQIRNI-UHFFFAOYSA-N	236.380	4.779	0	10	BJAE	
CC[C@H](N)C(C)=CC[C@H](C)CCCC(C)C	2244844921	IOHIWCCWICVJGE-HIFRSBDPSA-N	225.420	4.523	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C[C@H]1CCCCC12CC2	2246613510	BEHFWQCYTGPWFM-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
Cc1cscc1NCC[C@H]1CCCCC12CC2	2246630736	AGDGPQCRVPWHDU-CYBMUJFWSA-N	249.423	4.829	0	10	BJAE	
CCCC[C@H](CC)CNCCCC[C@H]1C[C@@H]1C	2247094221	VWRCEWOUEVOQGK-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](CC)CNCCCC[C@H]1C[C@H]1C	2247094223	VWRCEWOUEVOQGK-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
N[C@H](c1csc(C2CC2)c1)C1CCCCCC1	2248044727	NYBILVSBQNWBSI-HNNXBMFYSA-N	249.423	4.596	0	10	BJAE	
CCc1cccc(F)c1N[C@H](C)CCC(C)C	2248100663	SOEPTPDTSOVDNG-GFCCVEGCSA-N	237.362	4.625	0	10	BJAE	
CC[C@H](C(=O)C[C@@]12CCCC[C@@H]1CC2)C(C)C	2251159515	UMASTFCBHPIGBD-YCPHGPKFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@]12CCCC[C@@H]1CC2	2251188105	QBZJYAVXRDFBDY-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CCCC=CCN[C@H]1CC(C)(C)CCC1(C)C	2251678641	NQJWKZHLFHPHBF-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
Fc1ccc(CCC[C@H]2C=CCCCC2)cc1	2252627850	ZXVSBDPCHKXGPB-AWEZNQCLSA-N	232.342	4.895	0	10	BJAE	
CCC[C@H]1CCCN1CC[C@H]1CCCCC12CC2	2253869169	VMYDZYSWMYXRRB-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC2CC3(CCCC3)C2)C1	2254085193	ZYCAAFOJFIATJV-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)C1(C)CC2(CCC2)C1	2254545274	SKVJIANEVJXWSG-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)[C@@]1(C)CC=CCC1	2257279760	DCFYSNSYQKNNJH-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)[C@H]1C[C@@H]2CC[C@@H]2C1	2257302629	WTIFNYFQLFMIMV-NPJQDHAYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(F)c(NCCCCC[C@@H]2C[C@@H]2C)c1	2257320418	IRCQHASEBQRTLP-UONOGXRCSA-N	249.373	4.762	0	10	BJAE	
CC(C)CCC[C@@H](C)CC=C1CCN[C@@H]1C1CC1	2259611539	BGAOHNGFUMDZJF-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@]12CCCC[C@H]1CC2	2260523808	GWGZZKBVVNSBQL-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC1CC(CC[C@@H](N)C[C@@H]2CCC=CCCC2)C1	2261490499	LHNHBVMROFPCFW-MNAZLIDISA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)CCC[C@@H]1C[C@@H]1C	2297875914	CHOQVLDJVAUCKN-QKPAOTATSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CCCCC[C@H]1C[C@H]1C	2298474611	FKDWVMNCZXTYHC-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1C[C@H]2CCCC[C@@H]21	2300681591	QKIFTBMMZWCFRG-QLFBSQMISA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@H](C)C(C)C	2300687767	GESWVAZBACRPOR-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CCC1(N)CC2(CC(C)(C)C2)C1	2300698787	BXKNBWVQPFZSET-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CC[C@@H](N)[C@@H]1CCCC(C)(C)CC1	2300874118	GZHPGZRJBWWOBO-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CC(=CC[C@@]1(O)CCC=C1C)CCCC(C)C	2300911323	IUNRUXHYIYWUMV-INIZCTEOSA-N	236.399	4.620	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](NC)[C@@H](C)[C@@H](C)C(C)C	2301831165	BTIBIQRENNJODJ-CAOSSQGBSA-N	241.463	4.575	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)C1(C)CCCCCC1	2301958893	OKXVFNZMPJQGQN-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCc1cscc1NC1CC(C2CCCC2)C1	2302889277	IYWFWFRLHXBEQL-UHFFFAOYSA-N	249.423	4.691	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)C[C@@H]1CC[C@H]1C(C)(C)C	2303478097	NBZGIJLCSVHHHT-ZENOOKHLSA-N	239.447	4.602	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)CC[C@@H]1CCC(C)(C)C1	2304360016	PHQZHZFMIVWTKG-ZIAGYGMSSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CCCCC12CC2	2307896556	VPPVLKZJVVBCTD-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1CCC[C@@H]2C[C@H]12	2308619017	YSMAKDVJVNYVAI-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@]1(C[C@H]2CC[C@@H]3C[C@@H]3C2)CCCCCN1	2309146594	UNXFDZBDMQSHMD-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@H]2CC[C@@H]3C[C@@H]3C2)C1	2309399916	USJOUESTTYBPSP-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@H](C[C@@H]2C[C@H]2C2CCCCC2)C1=O	2311856436	QKEXFMBVJBSZEK-XZDPQHSOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1C)CC1=CCCCC1	2312824404	OQOAMSKUKGDVGF-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@@]23CCCC[C@@H]2CC3)C1	2313312772	YFJHAHOCPDTLFA-KCYZZUKISA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)C[C@@H]1CCCCC12CC2	2313644832	LGQDWHFAHOCISM-HIFRSBDPSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)CC[C@](N)(c1ccccc1)C(C)C	2316271511	QXOVHMORFUAUTP-QGZVFWFLSA-N	247.426	4.713	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)CC1CCCCCC1	2317003048	SVCOXCAQJTUKAL-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2317020964	MAMWRPSKRPPSTR-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1ccc2ccccc2c1	2317663310	GOBAZLSSSSRFFT-KGLIPLIRSA-N	241.378	4.932	0	10	BJAE	
CC1(C)CC[C@@H](N)[C@H](CCCC2=CCCCC2)C1	2318541501	UCSLPTPZFKYZHC-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
C[C@H](CC1CCC1)N(C)CCCC1=CCCCC1	2318578357	MLMTUGOIVHTQQQ-OAHLLOKOSA-N	249.442	4.778	0	10	BJAE	
O=C(CCCCC1CC1)C(CC1CC1)CC1CC1	2318882608	LZZHDNXDLZJCEA-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCCC[C@H]2C[C@@H]21	2319261360	NSULCIWJDSXURH-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](O)CCC[C@@H](c1ccccc1)C1CCCC1	2319735569	YBAXLBKIXYYJPH-PBHICJAKSA-N	246.394	4.512	0	10	BJAE	
CN[C@@H]1C[C@H](C[C@H]2CCC(C)=C(C)C2)CC[C@@H]1C	2320389209	YDRFNAYMFGVWAN-QSPRXWTASA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@@H](O)Cc1cccc(C(C)C)c1	2320633731	LPRAKGNSOXLIQP-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
CC(C)c1cccc(CC(=O)C2(C)CCCC2)c1	2320647340	YVNNULQUDVCAIW-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC(C)NC[C@]1([C@H]2CCC[C@@H](C)C2)C=CCCC1	2326698758	HNCMCXXDIKERQF-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@]2(O)CCCC[C@H]2C)c1	2327696753	IDHYGNZWIPAIGP-RHSMWYFYSA-N	246.394	4.516	0	10	BJAE	
CCc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1	1518232	KZLWBVLEROZDFO-UHFFFAOYSA-N	239.293	4.536	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H]1CCc2ccccc21	20520251	SCYNCCXRKFTMNA-RHSMWYFYSA-N	245.410	4.622	0	10	BJAE	
Cc1ccccc1N[C@H](c1cccs1)C(C)C	37216367	KXLBVQVZVHRWFA-HNNXBMFYSA-N	245.391	4.866	0	10	BJAE	
CC[C@@H](Nc1cccc(SC)c1)c1ccco1	54082487	BQDNAUQTRYFEEP-CYBMUJFWSA-N	247.363	4.565	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)c1ccc(C)s1	68987097	KVVDDECWQWYONL-QWHCGFSZSA-N	239.428	4.676	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NC(C)(C)CC(C)(C)C	70978222	VAUHNBPVKJVIDM-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](C)c1ccc([C@@H](CCN)C(C)(C)C)cc1	76633223	BQTYJOFJLJULHG-CZUORRHYSA-N	247.426	4.679	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCCC(C)(C)C2)c1	79972670	OQQZWJHBARCVPI-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(CCC(C)C)CC1	83437360	QUJCLOGKVBAIIL-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CC(C)c1ccccc1O[C@H]1CCC[C@H](C)C1	85151589	KILSWEHVVBXSHC-KBPBESRZSA-N	232.367	4.768	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)CCC(C)(C)C)C(=O)C1	85155158	FHBDIAYRAVCEBN-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(C)cc2)CC1	86894052	WBTUNYRTBFEWSX-HUUCEWRRSA-N	231.383	4.766	0	10	BJAE	
CCC[C@H]1CCC[C@H](Nc2cccnc2C)CC1	91496025	SYAKOOFEJMBZEN-GJZGRUSLSA-N	246.398	4.551	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)C1(CC)CCCC1	94900992	ORAPJHKJWPYAMA-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)c1ccc(F)c(C)c1	104387943	BQYQIMYZADNYJR-TZMCWYRMSA-N	248.341	4.533	0	10	BJAE	
Cc1ccc([C@H](C)NCCC2CCCC2)c(C)c1	109896817	VBUOFEYQTHDTEJ-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc2ncccc2c1	109954646	HSLRALJBFRDGSO-CYBMUJFWSA-N	242.366	4.616	0	10	BJAE	
CCC[C@H](C)C[C@](C)(CCC)CNCC(C)C	110203736	XSFCOBUNCUCUKZ-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC1CCC([C@H](O)C[C@H](C)CC(C)(C)C)CC1	124319162	GXQMPSDJZRIYMD-OOJKYFRXSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H]1CCCCC[C@@H]1CN	131907427	DQEVDNSJSFEZGB-OWCLPIDISA-N	239.447	4.748	0	10	BJAE	
CC(C)CCCCN[C@H]1C[C@H](C)CC(C)(C)C1	134295613	AOFKWCZXOXBZLU-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@]1(N)CCC[C@@H](C(C)C)CC1	148001260	ZLFHZDLXPKUALB-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC[C@H](NC2CCCCC2)c2ccccc21	163659636	UQVQJSLVRAVOAX-DYVFJYSZSA-N	243.394	4.547	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)C1=CCCCCC1	203425417	MFOPFJVYMBMSJV-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@@H](C)Nc1c(C)cccc1F	224965442	UHYSEEGRSJPLKI-CYBMUJFWSA-N	237.362	4.905	0	10	BJAE	
C1CCC(CCNCCCC2CCCC2)CC1	225070432	NKEYBODOWJRVQS-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)c2cccc(C)c2C)C1	227390783	KEMIJUHIGGRELU-ZMSDIMECSA-N	245.410	4.520	0	10	BJAE	
CCCC(CCC)C(=O)CCCC(C)C	229451543	QUBCVTTUEJESSX-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCC1CC1)NCCC	229551001	QFHKTBAWTQZCEQ-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@H](C(C)C)C2)c1	230985028	HHPXMGMWIFTYGA-GOEBONIOSA-N	231.383	4.622	0	10	BJAE	
CCC1(CN[C@@H](C)c2cc(C)ccc2C)CCC1	233082740	NXDAYZDDCYXITM-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCCNC[C@@H](c1cccc(C)c1)[C@@H](C)CCC	233084688	LMDGOXYOHDCEIQ-DOTOQJQBSA-N	247.426	4.514	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CN[C@@H](C)C2CCCCC2)C1	235706800	DQQITTCKAJQWPC-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1N	250838065	WFNXSDYSHJHOEX-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)[C@H](C)NCCC	251266565	CMHFCGOJEOKHMS-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCC[C@H]2CC)C1	251589792	CPTRUWUTXYTNAQ-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)C[C@H](C)CC(C)(C)C	305956154	NUBDIERCXCTFEZ-KKUMJFAQSA-N	241.463	4.848	0	10	BJAE	
CCc1ccc(N[C@H](C)c2ccc(C)o2)cc1C	306057846	VYGCEALLEDDKAZ-CYBMUJFWSA-N	243.350	4.632	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CCCC(C)C	308024139	MCLFIWQEUFNOFM-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)C1=CCCCCC1	308076484	KURQVDVYVMXGPE-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@@H](C)c1ccncc1CC	309484868	XPGGVGZXRSRCSX-CYBMUJFWSA-N	219.372	4.718	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)CC1(CC)CCC1	310113521	GHCYJONYFCFBLG-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCCCCC2=O)CC1	310487177	GHEVKCLNYZLUKA-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCc1cccc([C@@H](O)C(C)(C)C(C)(C)C)c1	311128560	BPUOBPDZOCRUGB-OAHLLOKOSA-N	248.410	4.745	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H](C1CC1)C(C)(C)C	323950617	CWONVFJAOCHEGR-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC1(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCCC1	382311507	SEPJTAWUGACHKW-FICVDOATSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)CCC[C@]1(O)CCC[C@@H](C2CC2)C1	382682792	XRPQCCVOCXVLNN-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCC[C@@H](C)CC1	383245292	JJNZAKBQOXBFOC-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)NC[C@H]1CC[C@@H]1CCC1=CCCCC1	384957644	MVWKEORMHJMXLP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CCC[C@@H]2C)n1	385087341	XKNLWFYSVRXPJL-GARJFASQSA-N	223.385	4.560	0	10	BJAE	
Cc1cscc1N[C@@H](c1ccccc1)C(C)C	387378563	XZUNJJBHUOJCBY-OAHLLOKOSA-N	245.391	4.866	0	10	BJAE	
CCCC[C@@H](CC)CNCC1(CC(C)C)CC1	391973226	HJNCBPOMNURVDS-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)[C@H]1CC[C@H](CC)CC1	393285534	ABEYRJQYRMPLHV-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C)CCC1(C)CCCCCC1	394747565	JTCWJICJUXIBIW-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccc(Cl)cc1F	394987397	IKAOFAVYYCHTEX-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
Cc1cc2ccsc2c(C(F)(F)F)c1C	396204253	WOWWJHKUADNNJL-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCc1cc2ccsc2c(C(F)F)c1CC	396229113	UBNCHQPSWZTDEC-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC1(C)CC1)NCC	401567534	QMJLQSNOKLRZQI-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
NCC1(C[C@@H]2CC[C@H]3C[C@@H]3C2)CCCCCCC1	403574473	YKFOOLUEEMXWJO-PMPSAXMXSA-N	249.442	4.502	0	10	BJAE	
CCCC1(/C=C(/CNC(C)C)C(C)C)CCC1	686132867	MUDQUGKOQGUKAF-PTNGSMBKSA-N	237.431	4.537	0	10	BJAE	
CCC(F)(F)C(C)(C)C[C@@H](N)CCC(C)(C)C	691039329	JZXRAQUEXXECOW-NSHDSACASA-N	249.389	4.602	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CCCCC[C@H]1C	691134909	HNJPLDGIPZJESW-CJNGLKHVSA-N	245.410	4.938	0	10	BJAE	
Clc1ccc(N[C@@H]2CCCC[C@@H]2C2CC2)cc1	696050851	RVGBQTUKCLABIR-HUUCEWRRSA-N	249.785	4.721	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC=C(C)C	697816364	OAWCBSFYHKAUAR-ZDUSSCGKSA-N	210.361	4.518	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@H]1C[C@@H]1C(C)(C)C	699839782	XTNFHEUNKBHHSO-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@]2(N)CCCC23CCCCC3)C1	704446261	WXFIIQICDFLTTB-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCC[C@](N)(C[C@@H](C)CC(C)C)[C@@H]1CC1(C)C	704477642	YLJXKFVFUHRMEL-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1CCCC12CC2	707102210	KTAKWHMXLRDQGV-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@@H](C)CC(C)(C)C	708294748	DPHKTRQWNLKRSD-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](NC[C@H](C)CC(C)(C)C)C1CCCC1	709077997	UMJQMOPQQIIJJY-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)C[C@@H](C)CC(C)(C)C	709139650	JCSNHOYRADZAMA-DOMZBBRYSA-N	247.426	4.766	0	10	BJAE	
C[C@H](Nc1cccc(F)c1Cl)c1ccccc1	709698631	JCVFWEMVVHZQJX-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@H](C)C(C)(C)C	710755086	STJDKSWSQOQLDK-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)C)C[C@@H](CC)C(C)(C)C	711075231	VHUGLWPGUHPVLQ-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CC1CC1)C[C@@H](CC)C(C)(C)C	711183741	GSGOCCYZVNFBEH-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@@H]2C[C@@H]3CCCC[C@@H]32)CC1	712396143	KVLQHPWJJHRVKA-QUSNUVHPSA-N	249.442	4.514	0	10	BJAE	
C=C/C=C/CC[C@@H]1CC(C)(C)CC[C@@H]1CNCC	713708936	HTOIAHPEZHWVPV-XLBHYRNJSA-N	249.442	4.561	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@@H]1CCC[C@H](C)C1	713745618	LHPPPPOMJRZJSR-DWAPUWECSA-N	249.442	4.703	0	10	BJAE	
CC(C)c1ccccc1OCC[C@H]1C[C@H]1C1CC1	714774564	BHOHJQGQUHSECH-HOCLYGCPSA-N	244.378	4.625	0	10	BJAE	
CC(=O)c1ccccc1-c1cc(Cl)ccc1C	718321040	ZSHUXUOTMSATJB-UHFFFAOYSA-N	244.721	4.518	0	10	BJAE	
CN[C@H](CCCCC(C)=C(C)C)c1ccccc1	718654616	UHYPCYYAYZRXPM-QGZVFWFLSA-N	245.410	4.864	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)C1CCCCCCC1	718690418	KCRUVYZRRXQQPH-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@H]1CCCCCC1(C)C	719279015	ZTTCXWUCNIFSTJ-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C[C@@H]1CC12CC2	723184018	XMRQBVLOGBDLBR-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(-c2ccnc3ccccc23)c(C)c1	1239810258	UERRECDNAAKPLQ-UHFFFAOYSA-N	233.314	4.519	0	10	BJAE	
C[C@@H](Sc1cccc(F)c1)c1ccccc1	1559379764	FVZAVERKQWCHRN-LLVKDONJSA-N	232.323	4.679	0	10	BJAE	
CCC(CC)CC[C@@](N)(CC)C[C@H](C)CC	1900709312	JDHNGDMWUOYHQE-HIFRSBDPSA-N	227.436	4.747	0	10	BJAE	
CCCCC1CC(N)(CCC(CC)CC)C1	1900714176	UINMRYADINZZNC-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CC[C@@H]1CCCCCCC1=O	1900714663	XEPJFWMXKMCJJQ-AWEZNQCLSA-N	224.388	4.742	0	10	BJAE	
CC(=CC[C@H](C)C[C@H](C)O)CCCC(C)C	1900911879	PHJHDPKNZQXYBM-GJZGRUSLSA-N	226.404	4.556	0	10	BJAE	
CC(C)c1coc2cc(Cl)cc(Cl)c12	1907243821	FUQPKRFNJPMRGZ-UHFFFAOYSA-N	229.106	4.863	0	10	BJAE	
CCSc1ccccc1NCCC[C@@H]1C[C@H]1C	1908547672	VNIWTDPHKPZPOK-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)c1csc2ccccc12	1910139936	MYBZRACZHULBGG-GHMZBOCLSA-N	244.359	4.520	0	10	BJAE	
CCC[C@@H]1C[C@H]1Cn1ccc2cccc(Cl)c21	1910791787	REWQOTFQKYJLCU-OLZOCXBDSA-N	247.769	4.731	0	10	BJAE	
C=CC=CCC[C@H](NCCC)c1cc(C)cs1	1912014960	ADMWFONZGKUCKO-AWEZNQCLSA-N	249.423	4.620	0	10	BJAE	
CC(C)C1CC(C(=O)C[C@H](C)CC(C)(C)C)C1	1921272415	NJNNCLPTOSBMAP-HSBZDZAISA-N	238.415	4.700	0	10	BJAE	
CN[C@@H](C1CCCCCC1)[C@@H]1CCCC12CCC2	1921594580	GNJJFOYVFIROGB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@@H]2C=CCCCC2)CC1	1925945231	KDOBERMFOFRJGM-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CCCC1(C)CC1	1935937000	MVPGFFPTHALSGF-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CCC(C)=C(C)C	1936194609	CSUDOIOKILPCLE-HUUCEWRRSA-N	226.404	4.556	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CCC1=CCCC1	1936715147	AFKUUNKXDNXPLF-KKUMJFAQSA-N	218.384	4.949	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C1(C)CCCCC1	1937166136	CLGACBIDEPHSGY-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC(CCC)[C@H](O)c1sccc1CC	1938210328	YYRZBDXMFDEYGZ-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)CCCCCC1CC1	1941573791	STSVJNYMXBWDCN-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](O)CCCCCC2CC2)C1	1941578255	YSDDCKWTDUGAGT-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)C1CCC(C)(C)CC1	1944796638	GSBZAYCQGPXPAF-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1CCC[C@H]1C	1944851021	ZLARNBSCVUDYSS-KGLIPLIRSA-N	231.383	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2C=CCCC2)C1	1947558503	KAWBQNFHCNCBJV-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C=CCC1)C(C)(C)C	1947594478	YBZHDPUODURKEV-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC1CC2(CCCC2)C1	1948476109	SRKVBZMTAAAWMW-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CCC1CC2(CC2)C1)NCCC	1948661168	LWDPEROYUFZOON-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C1([C@@H](N)CCC2CCCCC2)CCC1	1948933442	XBQTYJOWLBZJEX-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](C[C@@H]1CCC2(CCCC2)C1)NC	1949550311	CHZNAYPWDACXNS-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccccc1C(C)C	1950100419	NKHRLOXDBKSQMY-AWEZNQCLSA-N	231.383	4.801	0	10	BJAE	
CC[C@H](C)C[C@@H](NC)[C@H]1CCCC(C)(C)CC1	1950916276	AAYGXCMYJLTHQB-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@](CN)(C2CCCCC2)CC1	1950916582	BJRNJIRIPOBWDK-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CC(C)(C)CC[C@]1(CN)CCCC(C)(C)CC1	1950920852	ZOTUQYQATRXFRM-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
C[C@H]1CCC[C@@H](C(=O)CCCC(C)(C)C)CC1	1950930824	RPYGEBYTEXBQQA-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCC1(C(=O)CC2C[C@H](C)C[C@@H](C)C2)CCC1	1951237159	VRFYWOUSGKBLAV-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1cc(Cl)sc1C	1958159721	WXFLVWRGOMJUIT-LLVKDONJSA-N	245.819	4.536	0	10	BJAE	
C[C@H]1CC(N[C@H]2CCCC3(CCC3)C2)C[C@H](C)C1	1969988709	IOXKHCOIPIACHV-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
C[C@@H](c1ccccc1)N1CCCCCCCCC1	1970124703	CUWSXNJZIIWMBV-INIZCTEOSA-N	245.410	4.794	0	10	BJAE	
CCCC[C@H](CC)CN1[C@@H](C)CC(C)C[C@@H]1C	1970139382	UGCKYNNFDLRWBS-JYJNAYRXSA-N	239.447	4.712	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCCC1CC2(CCC2)C1	1973745461	WEPVZLWYJFAGSG-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)CC(=O)C[C@@H]1CCC=CCCC1	1978271677	DQZVMUQBNQBTIW-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCC(C)(C)CCC1(N)CC(CC)(CC)C1	1984403067	HHICRNIEUYKPCF-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](O)CCCC(C(C)C)C(C)C	1988259250	IXSMRQNPFLMNLM-AWEZNQCLSA-N	228.420	4.636	0	10	BJAE	
CC(C)=C(C)CCN(C)c1cccc(Cl)c1	1994356347	ASDFPVCSOAIIHY-UHFFFAOYSA-N	237.774	4.523	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CCCC)NCC	1995261174	BLTHJIGLIFOJMG-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCCNCC(C)(C)C[C@H]1CCC=CCCC1	1999990836	MWJNCSLFLSRENF-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CC[C@](O)(C1CCCC1)[C@H]1CCCC(C)(C)C1	2000040367	DBAZLENYMWWJOT-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CCCC(C)(C)C2)C1	2000063942	WTDVXKDDYPTANG-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCC(C)C)C[C@H]1C=CCCCC1	2000253699	BRGLWHJCBCFQEH-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(CCC1CCC1)CNC(C)C	2000514502	XBBWKPNDCGNQQN-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)[C@@H](O)C[C@@H]1CC12CCCC2	2001265070	JNUVTXBSIREHTP-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CN[C@@H]1CCCCCCC[C@H]1CC1CCCC1	2003116404	INURSHPACMILLL-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCC(F)(F)CC[C@@H]1CCCCCCC[C@@H]1O	2003118868	TWNMDPHGAJAXDW-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCCC)C(C)(C)F	2003241090	SHYBPLSNCXKZGI-UONOGXRCSA-N	245.426	4.709	0	10	BJAE	
Cc1ccc([C@@H](O)CCCCC(C)(C)C)cc1	2003624438	GQLADMQBFBHMRR-HNNXBMFYSA-N	234.383	4.635	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@H](C)CC(C)C	2003656230	UMPFWYNFXFRPBT-CYBMUJFWSA-N	232.367	4.640	0	10	BJAE	
CC[C@@]1(C)CCCN(C[C@@H](C)CC(C)C)CC1	2004338366	CRUKFZYQZTURFU-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
C/C=C/C[C@@]1(CNC(C)(C)C)CCC[C@H](C)C1	2008058951	FFLNNIWVNUGWOW-WWCKUISVSA-N	237.431	4.537	0	10	BJAE	
CCC1(CC)CC(N)(CC2CCC(C)CC2)C1	2009297936	AYZZRPLRTIZCKQ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](C)(CCC1(C)CC1)CNCCC	2009545029	VVWKUWLHMPLYNC-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
C/C=C/CCC[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2009570439	BDQMLXRBGRIFNF-HMRWBYCRSA-N	237.431	4.667	0	10	BJAE	
CCCCCC1CC(N)([C@@H]2CCC[C@H](C)C2)C1	2009792184	VQSPXRFFWPNTNY-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CC1=CCC(C)(C)CC1)c1cccs1	2010767499	VUMPFHJZKVRFDZ-ZDUSSCGKSA-N	249.423	4.535	0	10	BJAE	
C[C@H]1C[C@H]1CCCn1ccc2cc(Cl)ccc21	2011565292	JTNUJLMJBGPAFS-NWDGAFQWSA-N	247.769	4.731	0	10	BJAE	
CCCC[C@](C)(N)c1sc2ccccc2c1C	2014289230	AYOPIHHQVXXZCA-HNNXBMFYSA-N	247.407	4.574	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)CC(C(C)C)C(C)C	2015275349	PGJQWSXIMYLQER-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
CC(C)NCC[C@H](C)CCC(C(C)C)C(C)C	2015345673	VSYREPMNKOPHOZ-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H](C)C(C)C)CC1	2015388469	VRGBAZPYCJQURS-KFWWJZLASA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC1(CC)CCC1	2015600142	YDXNAXJANNIOAX-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC(C)C1(CC(=O)C2(C)CC(C)(C)C2)CCC1	2017123659	OMNCNRXKBNSIMN-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCNC[C@]1(CC(C)=C(C)C)CCC[C@@H](C)C1	2017465098	DNCAOSWYQYCIPO-GDBMZVCRSA-N	237.431	4.539	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)[C@H]1CCCCC1(C)C	2017476921	CEHIJLKPEJSWSN-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C(=O)C[C@H]1CC[C@H](C)CC1)C(C)C	2017774263	MCQBOROKZLSMQO-HDJSIYSDSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CC[C@@](C)(NCC2(C)CCCCCC2)C1	2017869567	VBWKHRAQPJCGAO-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCCC(C)=C1C	2018129751	FHPCLASIUUUQSN-JKSUJKDBSA-N	237.431	4.824	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@]12CCCC[C@@H]1C2	2018572948	GGAOMLOILVSNPG-ZJIFWQFVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](CC)(CNC)[C@H]1C=CCCCC1	2019502372	DPOZTIUUMZGQJL-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](CN(C)[C@@H]1CCCC1(C)C)CC(C)(C)C	2021079376	KAOBBZKXRBCUTD-ZIAGYGMSSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1C[C@H]1C(C)(C)C	2022558920	AGDVLDCRLFFSDQ-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H]2CCCC(C)(C)C2)C(=O)C1	2024100674	FBYUVTDOISOGNU-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
Cc1cccc(C(=O)[C@]2(C)CC=CCC2)c1Cl	2024361827	WHKAIJJAASDHAY-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
CC1(C)C[C@@](O)(CCC2CCCCC2)C1(C)C	2025017950	DKRIVAUGWBODHP-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
c1sc([C@@H]2C[C@H]3CCC[C@H]32)nc1C1CCCC1	2026605561	RNDULMXAHXYSAY-JHJVBQTASA-N	247.407	4.704	0	10	BJAE	
CCCC[C@@](N)(CC)Cc1ccccc1C(C)C	2027516718	YVPKPHQKYAQWGR-KRWDZBQOSA-N	247.426	4.650	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1CC1(C)C)c1ccoc1	2027854500	FRRPMUOCROBHAM-HUUCEWRRSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@@H](C=Cc1ccccc1)C(C)(C)CC	2028587594	FJJYFRVVPGYLIC-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
C1CCCC(NCC2CC[C@@H]3C[C@H]3CC2)CCC1	2028972823	NIAQOHFPBMQOOE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C[C@@H]1C=CCCC1)C1CCCCCCC1	2035601999	QTRCJPCLMFZCEA-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC/C=C/CNc1c(CC)cc(C)cc1CC	2036767905	YWLIYLXOIXOCCI-MDZDMXLPSA-N	245.410	4.888	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@@H](N)CCC(C)(C)C1CC1	2039434670	LATPOVAPNRDURN-KBMXLJTQSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@@]1(C)CC=CCC1	2042027820	QSFKPEXFAZKXJR-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]2[C@@H](C(=O)C23CCCCCC3)C1(C)C	2042340137	UNBPQZHPSBODNQ-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N(C)CC1CCC=CCC1	2045312978	SVBZXSVDIFMNQD-NVXWUHKLSA-N	249.442	4.633	0	10	BJAE	
CC(C)(CC(=O)C[C@H]1CCC=CCCC1)C1CC1	2045315334	SOYNALBDSYQCDL-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1c2ccccc2CN1[C@H]1CCCC(C)(C)C1	2045530169	WMZQQXHYCPYBQN-ZFWWWQNUSA-N	243.394	4.532	0	10	BJAE	
CC(C)(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1	2047340115	JHDJOFSUTHVURT-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@](N)(C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048446122	GVSPZBFVDLSISI-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048471864	QCHCOARQKJBETL-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)[C@]1(C)C=CCC1	2050007185	CYYQBBWLPLMIQF-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCC1(C)CCCCC1	2050459205	UREDSIJTJRFSTN-INIZCTEOSA-N	245.410	4.745	0	10	BJAE	
CCCN[C@H](C[C@H]1CCCC[C@@H]1C)c1ccco1	2050517362	ABZBLWWWMQHRET-RRFJBIMHSA-N	249.398	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N1CCCC2(CCCC2)CC1	2051604439	LNXMDCOQJCAEDT-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC(C)=C(C)CCN1CCC[C@@H](C2CCCC2)C1	2051671239	JYCXSPATZQJYGG-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CN[C@H](CCC=C(C)C)C1(C)CCC2(CC2)CC1	2056550963	AHIDHLAMBQRVJW-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CC2CCC=CCC2)[C@@H]1CC	2058727264	DIRABHVQARUCFV-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@](C)(N)C2CCCC2)CC1	2061117113	WKCZRARIUKCJFX-CXAGYDPISA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C(CC(=O)c2ccc(F)cc2)CC1	2061197472	VZKWPYKLMRRITJ-LBPRGKRZSA-N	246.325	4.535	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CC1CC(=C2CCC2)C1	2061695264	AWUNHOCRAOBNBM-BLLLJJGKSA-N	246.394	4.662	0	10	BJAE	
CC1(CC(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCC1	2063416116	TZFOCIRXUJQLEL-QDMKHBRRSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CC12CCC(CC1)CC2)C1CCCCC1	2065308708	TVVYKPHRAGVRJB-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(NCC2CCCCCC2)n1	2066345396	WKKLLMCJNZPUTM-UHFFFAOYSA-N	246.398	4.587	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)[C@@H]1CCC2(CCCC2)C1	2068270255	WEOXETGXQPVBMQ-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@](C)(N)[C@@H]2CCC2(C)C)CC1	2068273430	JVYHCDQNODBFDV-YSVLISHTSA-N	249.442	4.523	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H]2CCC2(C)C)c1C	2068290658	LEPMJEZEECHJRR-AWEZNQCLSA-N	244.378	4.539	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCCC1	2068777121	FGJXYNOSSKKVKY-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@]23CCCC[C@H]2C3)CCC1	2069339592	KXDLLCXCGBAURA-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC1(C(=O)[C@H]2CCC3(CCCC3)C2)CC1	2069500085	JWIMXZWBHOFSAB-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C1(CC2CC2)CCC1	2069514512	KHWZYYUGPXRSJN-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](CCC1CCC1)C1(CC2CC2)CCC1	2069515853	SIQQKWXBDUREAG-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(C[C@H](N)C23CCCC2CCC3)CCC1	2071941215	QYRKHFNNKJZBHT-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CC[C@H]2C2CC2)CC1	2072797508	ZXNNKOKDAAERSP-NXNVCVFFSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](NC)c2ccccc2)CC1	2072800226	BOLAJJSXFVZUGN-ZOBUZTSGSA-N	245.410	4.554	0	10	BJAE	
CCCC1CCC(C[C@]2(N)C[C@H]3CCC[C@H]32)CC1	2072802266	WJPTWEOUUHNFKR-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@H]2CC[C@H](C)CC2)c1	2072870619	FCMQOALNQRSHIL-NNUKFRKNSA-N	244.378	4.703	0	10	BJAE	
CCCC1(C[C@@H](NCC)c2cccc(C)c2)CC1	2074643133	BPDJFDYLXCZLRZ-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCCc1ccc([C@@](C)(O)CC(C)(C)C)cc1	2077925971	VYWIOGDDLQLLBU-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1C[C@H]1C1CCC1	2079337450	OBRBURBYRGGNHT-HOCLYGCPSA-N	244.378	4.625	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1cccc(C2CCC2)c1	2079477447	UAPFBTQYDIEEBU-GOEBONIOSA-N	242.362	4.573	0	10	BJAE	
C[C@H](CCC1CC1)N[C@@H]1C[C@@H]1C1CCCCCC1	2079528410	KQCULCARIJTGPG-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1nn(C(C)(C)C)c(Cl)c1C(C)C	2079718765	CHFNRSRHENTOTE-UHFFFAOYSA-N	242.794	4.538	0	10	BJAE	
Cc1cccc(OC[C@H]2C[C@@H]2C2CCCCC2)c1	2079802998	LUNOZHHVINBKLY-NVXWUHKLSA-N	244.378	4.590	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CCCC[C@@H]1CC	2081948044	ZCXRWDVDSQEPQT-SWLSCSKDSA-N	249.373	4.769	0	10	BJAE	
C[C@@H](CCCCN)CC1CC2(C1)CC1(CCC1)C2	2083607557	GZRCYGROSPDVHA-AWEZNQCLSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NC1CC2(C1)CC1(CCC1)C2	2083645001	RORKFKTVNXDAHQ-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CC(C)C1(C[C@@H]2CCCNC23CCCC3)CCC1	2083811046	UGBBZAABMSZHSP-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1(c2cc3c(F)ccc(F)c3[nH]2)CCCCC1	2085689978	HCVUXSGMFPIXBB-UHFFFAOYSA-N	249.304	4.668	0	10	BJAE	
CC[C@@H](CCCCCCCC1CC1)[C@H](C)O	2212451315	SZYIPPYCDRDRJY-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H](CN)CCCCCCCCC1CC1	2212465520	ZRECQFSPSREPTE-CQSZACIVSA-N	225.420	4.502	0	10	BJAE	
CCC[C@H](C)C[C@@](C)(CC)CN[C@@H](C)CC	2212585954	YAVNNACSXOUFQV-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CC1([C@@](C)(O)CCCCCCC2CC2)CCC1	2213573423	HOOVNKKKGFQCRW-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
Cc1csc(C(=O)C[C@@H]2C=CCCCC2)c1C	2213653683	AYILNVPDYSRUOW-CYBMUJFWSA-N	248.391	4.684	0	10	BJAE	
Cc1ccc(C)c(CC=Cc2ccccc2)c1	2213824176	CDHAHUQQPDKCNX-UHFFFAOYSA-N	222.331	4.559	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)[C@H](C)CCC	2214586766	XFJOIWGKWSYYHB-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@@H]1C)C(CC)(CC)CC	2214966184	ZCUBHMRGGUGXOW-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)C1CCCCCCC1	2215335030	VFZFQSMBUORWTF-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CC(C)(CC[C@@H](N)CC2CCCC2)C1	2215395883	NHQOGECFCCFKGS-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCC[C@@H]2C[C@@H]2C)CC1	2215820055	AJWOATZWBSJTRU-LZWOXQAQSA-N	234.383	4.518	0	10	BJAE	
CC(C)CC[C@H](O)CCCCCCCC1CC1	2216893944	LXEIRFOEYVWGAU-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC[C@H]1CC[C@](N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218356017	IOVTTWQJSXMVJP-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C1CC=CC1)N(C)CCCCCCC1CC1	2218748418	FZMKIQWCMBXIAY-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)[C@@]12CCC[C@@H]1C2	2220042928	AVYMOCUVMIXXDA-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC1(CNC(C)(C)C)CC=CC1	2220850903	JEWPVLRWXNNKOV-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2221644249	GACDWDMHWDBSMG-MPTYRVRUSA-N	246.394	4.518	0	10	BJAE	
C[C@]1(CC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCN1	2222948369	HSCIONXOMVIIOQ-LUKYLMHMSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1ccc2occc2c1	2224126790	BJIUUKFFOSHXOM-MLGOLLRUSA-N	246.350	4.683	0	10	BJAE	
CCC(CC)C(=O)CC[C@H]1CCCCC12CC2	2246605179	CKWRYQZKVAAZDM-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCCCC[C@H]2N)C1	2246657271	RBAHOEDABFNBKG-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCC(=O)CC[C@H]1CCC[C@H](C)C1	2246682007	SUTCBBPKDWLRBC-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)c1cc2ccccc2s1	2246859727	YFATXNHRFSDYLY-IUODEOHRSA-N	248.391	4.617	0	10	BJAE	
CCCC[C@H](C)C(=O)CCCCC[C@@H]1C[C@@H]1C	2248806354	KHMSAEXOEVEDNK-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CC1CC(CC(=O)CCCCC[C@@H]2C[C@@H]2C)C1	2248857749	ZLPZVMJICBXJAN-OOJKYFRXSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCN[C@@H](CCCCCCC2CC2)C1	2249130501	XGCZAYQLCAZYFY-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1(C(C)(C)C)CCC1	2250351668	FNVJUGDHRMSQEP-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC)CNc1cc(F)c(C)cc1F	2250393646	ZDDJYIBPRVKWLA-LLVKDONJSA-N	241.325	4.511	0	10	BJAE	
CCCC1CN(CC[C@H](C)CCCC(C)C)C1	2250467192	OKCUHEADVBVQBB-OAHLLOKOSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC[C@H](N)C(C)(C)C	2250473281	IEXXBIQBVMBUDV-CABCVRRESA-N	241.463	4.993	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@]12CCCC[C@H]1CC2	2251182702	WFRAPBMJZLRSGB-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)CCN[C@@H]1CC(C)(C)CCC1(C)C	2251675646	UFOWRAZCWZZBKI-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCN(CCCC1(C)CC1)CC(C)C	2252639406	GANFBSKSOUDKIJ-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1ccc2ccsc2c1	2253130897	VZZWBPHGQUIBAK-MFKMUULPSA-N	244.359	4.520	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)C[C@@H]1CCCCC12CC2	2253802909	GCCSYZOLLYGQMC-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C(CCC1CC1)CC[C@@H]1CN[C@@H]2CCCC[C@H]2C1	2253819168	SOXFRFORJOSJJW-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
N[C@H](C[C@H]1CCCCC12CC2)C1CCCCCC1	2253832027	LPIAQWXMGMOYJT-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@@H](C)N1CC[C@@H]1CCCCC12CC2	2253856433	QNQASSAHSAUHHU-XHSDSOJGSA-N	249.442	4.610	0	10	BJAE	
CCCCC(=O)CCC12CC3CC(CC(C3)C1)C2	2253981689	MLSLTJBKHXFDMP-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC1CCC2(CCCN2)CC1	2254523225	RMOLTKKERPQCPA-SOEBMCCKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]1CC1(N)CCC(C2CCC2)CC1	2255027790	WNMJTFLXTACDRG-CKDBGZEDSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@@H]1CCCC12CC2	2255222051	CHCRMNILTBTLRD-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@@H]1CCCCCC1(C)C)[C@H]1CC12CCC2	2256447646	OECKCSNAKAVYCL-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CC[C@@]3(C)C[C@H]23)c1	2257907770	RYFNGLHFBZSEHS-INMHGKMJSA-N	243.394	4.585	0	10	BJAE	
CCCc1ccc(NC[C@]23CCC[C@@H]2CC3)cc1	2260575227	RPFPBJKGKQJZIM-NVXWUHKLSA-N	243.394	4.631	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@]23CCC[C@@H]2CC3)CC1	2260580798	BXVJXEUEAAAIBH-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CNCC1(C[C@@]23CCCC[C@@H]2CC3)CCCCC1	2260677834	HSCCQZVLWSHABT-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)C[C@@H]1C[C@H]1C(C)C	2297876905	ROJRDZFJMCBDHA-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H](C)CC1CCC1)CC(C)(C)C	2298858598	PTCLBSDIXKJURU-IPYPFGDCSA-N	239.447	4.602	0	10	BJAE	
CCC(CC)CC[C@@]1(N)C[C@@H]2CCCC[C@@H]2C1	2300705937	JQQKWHHANROJLG-ZSHCYNCHSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCNc1ccc(C2(C)CC2)cc1	2300863168	MCLAJPCKJKSYQO-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
CC(=CC[C@H]1CCCC[C@H]1O)CCCC(C)C	2300870084	QLBJRMNFHLESOI-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CCC(C)=CCN1CCCC12CCCCCC2	2300887304	BXMZBSSJMOGIBU-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)C(C)(CC)CC	2300896662	LDAGRJSZKVBYOB-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
C[C@H](CC(=O)CCCC1=CCCCC1)C1CC1	2302355704	DZVATUPUFPCTFL-CYBMUJFWSA-N	234.383	4.662	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](O)CC2CCCC2)C1	2302683222	QRVYERCLRNURGW-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](C[C@@]2(O)CCCC(C)(C)C2)C1	2302723842	WQUQTUZTJKFMRO-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCCC[C@H]2C[C@H]21	2302851085	ZIKDFHRKJGFCPH-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](NCC)[C@H]1CC[C@@H]1C(C)(C)C	2303449912	NLUFHCYSJREZFG-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC(O)(CCC)CC[C@@H]1CCC(C)(C)C1	2304400745	YWVBZUKFZXAFKB-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
CCCCCC[C@@H](N)CC[C@H]1CCC(C)(C)C1	2304433897	AQQKSQRQAMGAOG-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@@H]2CCC[C@H]2C)Nc2ccccc21	2308259955	MKYAVKPPAAZYNM-KBXIAJHMSA-N	243.394	4.801	0	10	BJAE	
NCC1(C[C@H]2CC[C@@H]3C[C@@H]3C2)CCCCCCC1	2309149614	YKFOOLUEEMXWJO-XHSDSOJGSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H](NC[C@@]12CCCC[C@@H]1C2)C1CCCC1	2311126168	VJMJOIYYUHRLEF-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312949702	RJSKQUBRZXAQEV-SUJAAXHWSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)C(CC2CC2)CC2CC2)CCCCC1	2313583166	FXFSYZYKTYWPHU-INIZCTEOSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CC[C@@H]1Nc2ccccc2C[C@H]1C	2316270406	FADOTQUCYRGEDI-CJNGLKHVSA-N	245.410	4.876	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1C[C@H]2C=C[C@H]1CCC2	2317040683	RGVSDXAGQSKNKH-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CCC[C@@H]1C[C@@H]1C	2317531795	CLYRZONUMBDNGA-WCQYABFASA-N	245.341	4.525	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C1[C@@H](C)C[C@@H]1C	2317906917	LXNFRDQQSOGEKP-OFQRWUPVSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@]12CCC[C@@H]1CC2	2317910203	FPOKEVDYYPMNMR-BRWVUGGUSA-N	247.426	4.565	0	10	BJAE	
N[C@H]1CCCC[C@H]1CC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2319001768	WCSNUUNMGXXFCL-BIVLZKPYSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC[C@@H]1CC[C@H]1C1CC1	2319751542	XFFJSCIASBZQLM-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCN(C)CCC1=CCCCC1	2320024830	YAYSYOGCJSUUFZ-RDJZCZTQSA-N	249.442	4.635	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1NC[C@H]1CCC=CCCC1	2320146067	GKGUBFHTOSAHNV-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@@H]2C[C@@H]2C(C)(C)C)CC1	2320336808	IRHJFFYKZLQVNC-LVQVYYBASA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)[C@H](C)CCC2CC2)CC1	2320395832	XLZCYMSIZOBODT-NVXWUHKLSA-N	249.442	4.633	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@H]1CCC[C@H]1C	2320411839	GIYXTNDKVATQRK-MXASKKJJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)[C@@H](CC1CC1)C1CC1	2320770101	CTIXXLIBYVPZMO-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CC23CCCCC3)C1	2321608402	ORVKJPQSDQPCJY-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](N)CC[C@H]2C[C@@H]2C)c1	2327787352	UWQVCROQAXNXQG-GRDNDAEWSA-N	245.410	4.554	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC(C)(C)[C@H]2C)c1F	2327805318	CAYITEFWYAWXNR-SMDDNHRTSA-N	249.373	4.796	0	10	BJAE	
CCCCCCc1ccc(C(=O)[C@@H]2C[C@@H]2C)cc1	2327892942	ATBZOFBKRVHUMA-XJKSGUPXSA-N	244.378	4.648	0	10	BJAE	
CC(C)(C)Oc1ccccc1C[C@H]1C=CCCC1	2327910346	LFRUNMAXPCEWDE-AWEZNQCLSA-N	244.378	4.763	0	10	BJAE	
FC(F)(F)Sc1ccc(Cl)cc1Cl	2529885	GDRJZNFCCLFALM-UHFFFAOYSA-N	247.068	4.605	0	10	BJAE	
CCC(C)(C)N[C@@H](C)c1ccc(C(C)(C)C)cc1	20545861	JCUZKHSKQWWTSW-ZDUSSCGKSA-N	247.426	4.823	0	10	BJAE	
CCC(CC)C(=O)c1ccc([C@H](C)CC)cc1	36940826	VNOZTXHNCQHEJX-GFCCVEGCSA-N	232.367	4.819	0	10	BJAE	
CCCCCCN[C@@H](c1ccccc1)C(C)(C)C	36994554	IZKFALGVIXQSMO-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
CC(C)c1cccc2nc(C3CCCCC3)oc12	62533926	PICSTPWMIRIFIT-UHFFFAOYSA-N	243.350	4.999	0	10	BJAE	
CCCC[C@H](CC)CCCC(=O)C(C)C	70739621	YMMRUYCOQLCZSY-ZDUSSCGKSA-N	212.377	4.598	0	10	BJAE	
Cc1cc(C(C)(C)C)ccc1[C@H]1CCCC(=O)C1	77397311	NOIAGTVPZGZHOI-ZDUSSCGKSA-N	244.378	4.519	0	10	BJAE	
C=Cc1ccc(-c2cccc(Cl)c2)s1	82762096	DKMOEPUEWGBUIP-UHFFFAOYSA-N	220.724	4.712	0	10	BJAE	
CCC1CCC(C[C@@H](C)CNC(C)(C)C)CC1	85083032	OLNBKPNOGHMYFY-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(c2ccccc2C)CC1	86950979	STSLGOHIDNYCMH-WBVHZDCISA-N	246.394	4.563	0	10	BJAE	
CC(C)NC[C@@H](CCC(C)(C)C)c1ccccc1	88098241	OARQXHSSCYWTTA-MRXNPFEDSA-N	247.426	4.595	0	10	BJAE	
CC(C)(C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	94546965	RDVWYYLZUGNJSF-TWDRJXRQSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H](CC)c1ccco1	103974437	MMWHCSGQTIIMAJ-ZIAGYGMSSA-N	237.387	4.679	0	10	BJAE	
CC[C@H](NC1CCC(C)CC1)C1CCCCC1	103989137	AHHKZWWNDZMOCW-BCLQGDPASA-N	237.431	4.514	0	10	BJAE	
CC/C=C\C[C@@H](CCC)c1ccsc1	107527667	QARRQGDTQVFPGL-FOQNGQEVSA-N	208.370	4.988	0	10	BJAE	
CCCC[C@H]1CC[C@@H](C)c2ccccc21	111897866	ZAPFTEJQJIGRNN-OLZOCXBDSA-N	202.341	4.858	0	10	BJAE	
Cc1c(C(=O)C2CCCC2)sc2ccccc12	114448264	NWDDZTJRZFGLPM-UHFFFAOYSA-N	244.359	4.583	0	10	BJAE	
CC(C)CC[C@@H](CNC(C)(C)C)C1CCCC1	128325274	UBARKWSGIWHWKQ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CNC(C)(C)C)[C@H](C)CC1CCCCC1	133203534	SDCXSHMBALADMT-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC(C)C)c1cc2ccccc2s1	158755512	LWRBEGRRANPDLT-CYBMUJFWSA-N	247.407	4.598	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C2CCCCCCC2)c1	158968826	BPTBIBBQGASVIT-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
CC[C@H](C)C[C@@H](O)c1ccc([C@@H](C)CC)cc1	167631923	ULODOUBQGREEQL-HEHGZKQESA-N	234.383	4.670	0	10	BJAE	
CC(N)(CC1CCCCC1)CC1CCCCC1	222023699	BTJVWALKLZIQGS-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)[C@@H]1CCCC1(C)C	226827423	HIHQYWFTDUYYIX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CCC[C@@H](CC)C1	227392963	NMRYVCBQIZZEOT-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC(=O)c1ccc(Cl)c(C)c1	229447768	OAJBYIXDKXGUKI-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCCCCC(CCCCC)N[C@H]1C[C@@H]1CC	232949176	IVTGIMNGHQZGEU-HOCLYGCPSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1ccc(Cl)o1	232995173	UAPWGOQHOYTRND-JTQLQIEISA-N	242.746	4.722	0	10	BJAE	
O=Nc1cc(Cl)c2sccc2c1Cl	238580759	NPKWJOQQRDFIAJ-UHFFFAOYSA-N	232.091	4.606	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCCC[C@@H]2C)C1	251842046	QXVUSUJODITSLZ-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(O)CCCC(C)(C)C	300814457	GGXICFQIJKPPCJ-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCC1CCCC1	300824063	ZNWHOMYARDEILZ-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCc1ccc(CC)c(C(=O)CCC(C)(C)C)c1	302282698	JPMGZBCWQGQQSS-UHFFFAOYSA-N	246.394	4.820	0	10	BJAE	
Oc1cc(F)c(Cl)cc1C1=CCCCCC1	304493878	DBCQNQJYRXPMEO-UHFFFAOYSA-N	240.705	4.532	0	10	BJAE	
CCCN[C@@H](C(C(C)C)C(C)C)[C@@H](C)CCC	306112431	WTUXFUVJLUHQAX-GOEBONIOSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)[C@H]1CCC[C@H](C)C1	308032813	PWDRHQWDDSCFDK-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CC(C)CCCCCN[C@]1(C)CCCC[C@@H]1C	308689963	FGPFRKJKKIYZIX-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H](C2(CN)CCCCCC2)C1	310284229	ZIEVULNAFWYKPS-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](CC2(C)CCCC2)C1	310503654	IPNDRGBTUUUVIZ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)c([C@H](O)CC2(C)CCCC2)c(C)c1	311193866	FLTTYRQAVDFSGI-OAHLLOKOSA-N	246.394	4.616	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cc2cc(C)ccc2o1	319658845	FKYMLEQGESWRQB-VXGBXAGGSA-N	244.334	4.606	0	10	BJAE	
CCN[C@H](c1c(C)cccc1C)[C@@H](C)[C@H](C)CC	319791503	IBABSJRUJARHJA-PVUWLOKVSA-N	247.426	4.636	0	10	BJAE	
O=C1CCCCC[C@@H]1CC/C=C\c1ccccc1	322933983	NYYXWXLBERSXOT-MRDWYFFCSA-N	242.362	4.629	0	10	BJAE	
CC(C)(C)[C@H](N)CCCC/C=C\c1ccccc1	324108776	FRQQPWJVVKPQQV-MRDWYFFCSA-N	245.410	4.634	0	10	BJAE	
Cc1cccc(C)c1OC[C@@H]1CCC[C@@H](C)C1	379973351	NMXUGXNLNYSYKX-IUODEOHRSA-N	232.367	4.509	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@@H]1C=CCCCCC1	380579613	AMHMWTDSMRADCE-JKSUJKDBSA-N	243.394	4.535	0	10	BJAE	
CCCNCC/C=C\CCCCCC(C)C	383388203	OCWDODOHNPOBFB-CLFYSBASSA-N	225.420	4.539	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H]1CCCC1(C)C	384582636	XNKZELFUDILFRS-HNNXBMFYSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@@H](C)c1ccccc1	385198096	QMPOXSABCJBZSX-HLLBOEOZSA-N	247.426	4.724	0	10	BJAE	
CCCC1(NC[C@H]2CC(C)=C[C@H](C)C2)CCCC1	394432612	XCPZRNWGWRDIJG-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(NCC2(C)CCCCCC2)cc1	394646387	XCGJFXODYAVRAT-UHFFFAOYSA-N	231.383	4.767	0	10	BJAE	
CC(C)CCCCCC(=O)C1[C@@H]2CCCC[C@@H]12	394838013	XHQXGYHLSOZPJQ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
Cc1c(Cl)cccc1NCCC1=CCCCC1	395371171	NJGGTKTXIYFYFQ-UHFFFAOYSA-N	249.785	4.951	0	10	BJAE	
CCC[C@](O)(C1CCC(CC)CC1)C(C)(C)C	395443841	WBIVIBXVQCGKGS-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CC[C@H](Nc1cc(C)ccc1F)C1CCCC1	395557748	YJWLOPNDXQUHEP-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CCc1cc2ccc(S)c(C(F)F)c2s1	396233634	DYUSCDMSUVQSFH-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(c2cccc(C(C)C)c2)C1	688920528	KEDUECLQRRHEPJ-PBHICJAKSA-N	245.410	4.564	0	10	BJAE	
Cc1cc(N)c(F)cc1-c1cccc(C(C)C)c1	688966367	AIOXRDCRAIDIBU-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
C[C@H](Nc1ccc(C2CC2)cc1)C1CCCC1	690079346	PXVGNWRUIRIIRG-LBPRGKRZSA-N	229.367	4.555	0	10	BJAE	
CC(C)NC[C@]1(CC2CC=CC2)CCCC[C@@H]1C	692163137	BLOXDIWSCFKVTN-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
c1cc(NC2CCC(C3CCC3)CC2)cs1	695932100	TUMOBQQRZUOWTB-UHFFFAOYSA-N	235.396	4.519	0	10	BJAE	
CCN[C@H](CCC=C(C)C)c1ccc(C)c(F)c1	697771551	LPEFNDSXSPDJEF-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	699136568	SXGIUPAJFJMTEX-VPWBDBDCSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](NC)C(C)(CC)CC)C1	701131815	BVTGGYWOSPRBMJ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCCCCC(=O)c1cccc(C(F)F)c1F	701229407	JXFXRJJSBXSPLX-UHFFFAOYSA-N	244.256	4.526	0	10	BJAE	
N[C@]1(C2CCCCCC2)CCCC12CCCCC2	704439663	FISKFQILHZWVKQ-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
Cc1ccc(C)c(C(N)(CC(C)C)CC(C)C)c1	707504766	CUSHDBVNXHCSBH-UHFFFAOYSA-N	247.426	4.550	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)[C@@]12CCCC[C@H]1C2	709097730	RVASJZXLXHFJTN-HUBLWGQQSA-N	249.785	4.721	0	10	BJAE	
CC[C@H](C[C@H](N)c1cccc(C)c1C)C(C)(C)C	711120779	NRYAILZGJLEVAM-ZBFHGGJFSA-N	247.426	4.766	0	10	BJAE	
CC(C)C(C)(C)CNc1cccc(C2CC2)c1	713166270	VHIGCFSWZHKJJE-UHFFFAOYSA-N	231.383	4.658	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C(C)C)C(C)C	713174456	LTDQZWVGGAHXGJ-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CN[C@@H](CCC1CCCC1)CC(C)(C)C(C)C	713215285	HGJQGKPKZMOSKN-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@@H](C)c1ccccc1	713245332	AGLMRMJSDRYDKV-HOCLYGCPSA-N	247.426	4.595	0	10	BJAE	
C=C/C=C\CC[C@]1(CNCCC)CCCC[C@@H]1C	713718130	LGDBKTIDMPCXKV-QVOWHETESA-N	249.442	4.705	0	10	BJAE	
CCNCC1([C@@H]2CCCC[C@@H]2C)CCC=CCC1	718103997	JTGSIRJYEFNXOA-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)CCC1CCCCC1	718591905	DXRGGKVSCRHFRL-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC(C)=C(C)CCc1cccc(OC2CCC2)c1	718679824	MPYSNCNUGBBGPE-UHFFFAOYSA-N	244.378	4.907	0	10	BJAE	
C=C/C=C\CCC[C@H](C)COCc1ccccc1	719590849	FYXGRRHTQAUWQV-AWFCHZOYSA-N	244.378	4.752	0	10	BJAE	
CC1(C)CCC(SCCC(F)(F)F)CC1	1165996867	IAYHQJBYAQBBBQ-UHFFFAOYSA-N	240.334	4.641	0	10	BJAE	
c1ccc([C@H]2CCCN2C2CCCCCC2)cc1	1255890502	CUIGCWBCGKTLCK-QGZVFWFLSA-N	243.394	4.546	0	10	BJAE	
CC[C@@H](C)CSC[C@@H]1CCCc2ccccc21	1559386834	FGBKZXZAQHWBIR-HIFRSBDPSA-N	248.435	4.886	0	10	BJAE	
CCCC[C@H](C)[C@H](C)Nc1cccc2cc[nH]c12	1560778893	HYBNNLSRIJKCRE-STQMWFEESA-N	244.382	4.795	0	10	BJAE	
C/C(=C/Cl)CSC[C@H](C)CC(C)C	1652796853	HAUPTYJSUWDMHZ-CHPNCVJKSA-N	220.809	4.544	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNCC1CCC=CCC1	1658949658	NJIMEGLSOVZNRQ-IAGOWNOFSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C=CCCNC(C)(C)C	1905732951	HTGWTDSEBNUWOP-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@](N)(CC)CC[C@@]12CCC[C@@H]1C2	1909757171	ANGYLWGFHFOOHV-BZUAXINKSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H](C)C[C@H]1CCCCCCCCC1=O	1913389689	MIXBBSVQKPALJZ-ZIAGYGMSSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@H]1CCCCCCCC[C@H]1N	1913403699	KPQOCABKVQZAQT-LSDHHAIUSA-N	225.420	4.645	0	10	BJAE	
CC[C@](O)(CCCC1(C)CC1)c1ccc(C)cc1	1919890836	OFJJZIXNUBIINI-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@H]1C=CCCCC1	1925736574	JQEODOIIEDFHCF-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
C[C@@H](CC[C@@H]1C=CCCCC1)CNC(C)(C)C	1925944401	DLKUEOFFOBECAN-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)NCC1CCCCCCCCC1	1938718585	KCUDYZQQLRPVED-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)C1(C)C(C)(C)C1(C)C	1940281385	ZMUAVMGFEULCAH-ZDUSSCGKSA-N	238.415	4.556	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(O)CCCCC1(C)C	1940871664	FVZNTOSYIBFQMT-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C(=O)CCC1CCCC1)C(C)C	1941264983	QDXVEYYREDIFTG-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)CCC[C@@H]1CC1(C)C	1941271053	BKBHARWHCSTYMV-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CC1(C[C@@H](O)C(C)(C)C2CCCCC2)CCC1	1944617909	HLVHSEUJEQVCKS-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)C(C)(C)[C@@H](O)CC1CCC(C)(C)CC1	1944618066	JIEBBDHQOHNPMK-AWEZNQCLSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H]([C@@H](C)CCC(C)C)C(C)(C)C(C)C	1944668311	MCCGENYUTWOKAT-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)CCCC1(C)CC1	1949054182	KCEPGKVRZWHCBP-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@@H]1CC[C@H](C)C1	1949430452	YGQXDRJZKBSMJY-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@]1(CN)CCCC(C)(C)CC1	1950920851	ZOTUQYQATRXFRM-INIZCTEOSA-N	239.447	4.748	0	10	BJAE	
Cc1ccc(NCC[C@H]2CCC[C@H](C)C2)c(C)c1	1968255627	ZWYNHUNMSKDXLP-XJKSGUPXSA-N	245.410	4.932	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H]1CCCC2(CCC2)C1	1969918189	OBZOIKFCXJHFRQ-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](Nc1ccccc1SC(C)C)C1CC1	1970343892	QUVAEHLAILMQAM-CYBMUJFWSA-N	249.423	4.788	0	10	BJAE	
CC1(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCCCC1	1970680126	MJEBAGWCFWNJGP-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(-c2ccnc3ccccc23)ccc1C	1971146756	LCYNJYALTJCCNI-UHFFFAOYSA-N	247.341	4.773	0	10	BJAE	
C[C@H](CC1CCCCC1)NCC1(CC2CC2)CC1	1972207696	BDIUAQAIXVMPNS-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CC(N[C@H]2CCCC3(CCC3)C2)C1	1972936383	JIIAGMDXWBVNGI-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CCC[C@@H](n2c(C)ccc2C)CC1	1976403536	VUMALARHXRIDGW-LSDHHAIUSA-N	219.372	4.636	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1CCCCCCC1=O	1980342223	QMLZSOKAIZONFH-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@@H]1CCCCCCC1=O	1980353297	YBZRCZAYIMIFHJ-AWEZNQCLSA-N	222.372	4.662	0	10	BJAE	
CC=CCCCOc1cccc2sccc12	1984594944	JRUHKIXGJOUSCC-UHFFFAOYSA-N	232.348	4.636	0	10	BJAE	
CCCC[C@H](CC)N[C@H](CC)CCC(C)C	1986971723	VMFWNRSZQKEUBB-LSDHHAIUSA-N	227.436	4.760	0	10	BJAE	
CCC(CC)CCN(C)CCC(C)(C)CC	1990872152	BBOHTOJVKHBVTM-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CCCN[C@H](C[C@H]1CC[C@H](C)C1)C(C)(C)CC	1996273156	SLQGYBGIYARBSL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(CCCC1(C)CC1)C1CCCCC1	1996545767	CABNPCIDGQXSHH-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC([C@@](C)(O)C2CCCCC2)CC1	1996556118	YMHHATCFWLRTMJ-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)[C@@](C)(O)C1CCC(C)(C)CC1	1996560668	GMIWMOPVWIUEJL-CZUORRHYSA-N	240.431	4.636	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@H]1[C@@H](C)[C@H]1C	1998557847	UYBIHCAEUYOYGF-CLLJXQQHSA-N	249.423	4.501	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1NC[C@@H](C)C[C@@H]1C	1998568644	RPGMGOGJXYKACM-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)C[C@H]1CCC=CCCC1	2000001318	LAIHTWWCHIPDJZ-HRCADAONSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H](C)CC1(N)CCC2(CCCCC2)CC1	2000283490	SNCFUPSXTMVOMN-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@H](NC)[C@@H]1CC(C)=C[C@@H](C)C1	2000304095	QIVVMCADKUVVRU-KBMXLJTQSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@@H](C)C(C)(C)C)NC	2000318741	DZRSJWDYXKBGCO-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](C)CC1(O)CC2(CCCCCC2)C1	2000668717	AFTOFQGDKDCKJQ-CQSZACIVSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)CCC1(N)CC2(CCCCCC2)C1	2000671459	XQVPMKPGYMFKMH-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1CC12CCCC2	2001232191	QVQRAWFNSBQOFU-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)(CC)C(=O)C1CC(C(C)(C)C)C1	2002321786	DYWWDICQDXPDDE-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)[C@H](CCC)C(C)C	2002508415	AZOBSTCVZHXKHQ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@](C)(N)C1CCC(C)(C)CC1	2002969318	XUNGYVVMINKOAQ-IOASZLSFSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](N)C=C(C)C)CC1	2003067120	NKRFVILYSQVWAN-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CC(F)(F)CCC[C@H]1CCCCCCCC1=O	2003074352	MOWMTVGJNPKOFE-GFCCVEGCSA-N	246.341	4.742	0	10	BJAE	
O=C(CC[C@@H]1C=CCCC1)c1ccccc1Cl	2003681358	BOUBHDBIODBXGB-GFCCVEGCSA-N	248.753	4.659	0	10	BJAE	
O=C(CC[C@H]1CC12CCCCC2)c1cccs1	2003682186	VMDVOXPKLKHAOR-LBPRGKRZSA-N	248.391	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(N)CCC(CC)(CC)CC1	2004337379	QQUJIFLMYHNHHR-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@H](C)C(C)(C)C	2007623532	VBPGBFOCGGTJNL-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H](CC)CC(C)C	2007944360	PSHBVLSMZUGHDQ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](O)C(C)(C)C1CCCCC1	2009590322	GJHTYNDIZHXXNB-RGDDUWESSA-N	238.415	4.700	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@](C)(O)C1(C)CCCC1	2014324290	NYHIFOOIFYCGQW-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNC(C)(C)C)CCC1(C)C	2014848146	CDCINAZXENCHQE-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H](CCC(C)C)NCC)CCC1	2015643249	ZVDZWZRLAYTVAU-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1ccc(C)cc1F	2016142645	ASHKYJPTUYAYAC-CYBMUJFWSA-N	235.346	4.681	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CN)CCCC(C)(C)CC1	2017465299	FVTVYOOJPIEYQN-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
CCCCCN(C)C[C@H]1CC[C@H](CCC)CC1	2017647137	CCBHDFWBQQYIIW-WKILWMFISA-N	239.447	4.715	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)CCC2(C)CC2)CC1	2017719815	ODJNYHGGPMLARS-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC2(C)CCCC2)CC1	2017723776	VIABCXZEEKPAHQ-SHTZXODSSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)NC1CCC(C)(C)CC1	2018139385	RIRVFPJTSAXPTE-AWEZNQCLSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C[C@@H](C)CC(C)C	2018188354	MIZHNMKUHLRAHJ-JKSUJKDBSA-N	241.463	4.959	0	10	BJAE	
CCCC1(C[C@@]2(O)CCCC[C@H]2C(C)C)CC1	2018980024	LXUCBLNCZSGATQ-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)CN(C)[C@@H]1C=CCCCCC1	2019124570	RKJLOMIJOIELJF-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CC[C@H](C)[C@H](C)N1CCCC12CCCCCC2	2019384018	BNYVUSNHBIPQPT-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CC[C@H](CCC(C)C)N(C)[C@H]1C=CCCCC1	2019534238	XZFXKUPJRKJWDF-CVEARBPZSA-N	237.431	4.632	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCC(C)(C)[C@@H]1N	2020361294	OJZPPSMTKOHDIM-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCN(CCCC(C)(C)C)[C@H]1CCCC1(C)C	2022048491	AHMPJRBMAZZZMY-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1C[C@@H]1C(C)(C)C	2022559756	ITTCFPAVFOBXTQ-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H]1C[C@H]1C(C)(C)C	2022593134	UVWGNSPLEVFNBM-BYNSBNAKSA-N	239.447	4.602	0	10	BJAE	
CC(F)(F)CCCC(=O)C[C@@H]1C=CCCCC1	2023307726	BKORMNPUJGQYTL-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
CC1(C)CCC[C@H](CC2(CN)CCCCC2)C1	2024091769	LLLHJCPAMFTIGG-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@H](C)[C@H](C)C[C@H]1CCCC(C)(C)C1	2024100502	CYDHDZYLTFVSCW-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CN[C@@H]1CCC[C@@H](C)[C@@H]1CCCCCC(C)C	2024509816	IXYMHNBHYZUQSC-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C(=O)CCC1(F)CCC1)C(C)C	2025239070	XTXPVGOGDDUORN-ZDUSSCGKSA-N	242.378	4.546	0	10	BJAE	
CC(C)CCCCCN[C@H]1CC[C@@H](C(C)C)C1	2025577069	AYCDYQOGQCDKGL-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCC1(F)CCC1	2026081453	WDFGIMGSDBSCBU-ZDUSSCGKSA-N	242.378	4.834	0	10	BJAE	
CC[C@H](C)Cc1csc(-c2cccc(C)c2)n1	2026530937	ICCPGVUMFLBBFG-NSHDSACASA-N	245.391	4.707	0	10	BJAE	
CC1(C)C[C@H]1CCCn1ccc2ccc(F)cc21	2027830893	DYJODHIXUJHJPR-CYBMUJFWSA-N	245.341	4.607	0	10	BJAE	
Cc1cc(C)c([C@H](O)CCCC2(C)CC2)cc1C	2027835255	ZYPLVNPECLPEAV-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)c1ccccc1C1CCC1	2028262865	KWAUKOHLOXPBEW-PBHICJAKSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(C(=O)CCCCCC2CC2)cc1C	2028625624	LJLRESUQQQBFPD-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CC(C)c1ccc(NCC2CCC=CCC2)cc1	2028900617	QLOIJSZUKYVOCZ-UHFFFAOYSA-N	243.394	4.968	0	10	BJAE	
CCc1cc(NCC2CCC=CCC2)ccc1C	2028905022	NCUKZAIQXZSVIF-UHFFFAOYSA-N	243.394	4.716	0	10	BJAE	
O=C(CCC1CC1)c1ccc(C2CCCC2)cc1	2031743752	FELQFJZCIZJUIG-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](N)[C@]12CCCC[C@@H]1CCC2	2032508123	BFWKDGZJIDSHJP-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)[C@H]2CCC2(C)C)cc1	2033557376	IHLXSJDBVCCJIE-CQSZACIVSA-N	244.378	4.603	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@H]1NCCC1=CCCCC1	2035409288	LTVALFUMRZQLOP-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	2037170525	NHUJUUVOXODBCE-FVQHAEBGSA-N	249.442	4.811	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2CCC23CCC3)CC1	2037400305	YKMYTTQYKLJQBO-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC[C@@H]([C@H]2CCC3(CCCC3)C2)CC1=O	2037856901	SHDNUNXCFHXIRW-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1C[C@H]1CC1(N)CC2(CCC(C)(C)CC2)C1	2038895110	LUISRTAYMGWBAJ-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@H](N)CC23CCC(CC2)C3)CCCCC1	2039420633	MWFVPZVMIODDEM-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)C1(CC)CCC1	2039722058	LSNRTCNIHFZEBM-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](NC[C@H]1C=CCC1)C1CCC(C)(C)CC1	2040682723	DSPROGWGZHBPIR-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
CN(CC1CCCCC1)[C@@H]1CCCC2(CCC2)C1	2041293674	QTTLYFULGKDYAF-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1NCC1(C)CC=CC1	2042079254	WKOSEDKPKDUJPK-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CNC1CC1)[C@@H](C)C[C@@H]1CCC=CCCC1	2045328485	FPFAGAFJIHWAAE-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C2(N)C[C@H]3CCC[C@@H](C3)C2)C1	2045390827	IGMBIEBDUOQMCH-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2C[C@H]3CCCC[C@@H]32)C1	2045451755	WCIOYAJEOFNFPK-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](CC1CC1)NC1CC2(CCCCCC2)C1	2046230761	XFMNOGBIPTWAFX-HNNXBMFYSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccccc1NCC1(F)CCCCC1	2047246096	XTNILTFAXUWQPY-UHFFFAOYSA-N	249.373	4.894	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@@H]1CC[C@@H]2C[C@@H]2C1	2047347348	JNAYNQKTADZOSW-BZUAXINKSA-N	244.378	4.686	0	10	BJAE	
O=C(CCCC1CC1)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2047426650	HISAUDGXCMTNGZ-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC2CC2)CCC12CCC2	2047943097	OXJUHBICYIUPIY-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCC12CCC2)C1CCCCC1	2047963167	VYTFCTTUZNUWOR-DZGCQCFKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@@H]1[C@H]2CCCCC[C@H]21	2048447390	VKSNPRSFRBEEBJ-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C[C@@H]2C=CCCCC2)C1	2049497026	ZASAPMUTQYDYSJ-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)[C@H]1CC[C@H](C)CC1	2049635150	SPQZAPVTAMJDEQ-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)C[C@@H]1CCCC2(CC2)C1	2049849842	TUXQFPQCUZZIIQ-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](C[C@H]1CCC2(CC2)C1)C1(C)CCCCC1	2049851469	BNUIXSYZWGMXCL-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(NCC2CCC3(CC2)CC3)c1	2049865947	NZIAORZCDZHVQK-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)C[C@@H]1CCC2(CC2)C1	2049937190	BGHQEUPAMIXLEN-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
C[C@]1([C@@H](O)C[C@H]2CCC=CCCC2)C=CCCC1	2050010728	WHDPTRCMRMRSDX-ULQDDVLXSA-N	248.410	4.620	0	10	BJAE	
Cc1ccc([C@H](O)CC[C@@H]2CCC[C@@H](C)C2)cc1	2050441097	KDZQZDCGOIGZMN-HLLBOEOZSA-N	246.394	4.635	0	10	BJAE	
C1CCC([C@H]2CCCCN2CCC2CCC2)CC1	2051677450	KEIUHCLZWLAOCS-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCCC(CCC)CNC[C@@H](C)c1ccccc1	2052173181	RIWSQTWDLPPIBF-OAHLLOKOSA-N	247.426	4.596	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C2(C3CC3)CCCC2)C1	2057598699	RENCAXDKFVKTJC-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(Cl)c(SC(F)(F)F)c1	2059094218	MQMFXHGCRCMPEB-UHFFFAOYSA-N	240.677	4.514	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)C(C)(C)C1CC1	2060920635	FYMZXNOUTFIBKI-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CC[C@@H](C)CC1)C(C)(C)C1CCCC1	2060925100	IOHQMHZHQZJYSA-CZUORRHYSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CC=C(C[C@H](N)CC2CCCC2)CC1	2061149740	FUYRBGBGLGZPHK-DLBZAZTESA-N	249.442	4.667	0	10	BJAE	
Cc1ccc2c(ccn2CC[C@@]23CCC[C@H]2C3)c1	2061604491	ZSBRCDQALHLBSF-DOTOQJQBSA-N	239.362	4.530	0	10	BJAE	
CCCCC[C@@H](CC1CC(=C2CCC2)C1)NCC	2061723826	VGTDLCGYQXWECT-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	2062654436	ZYRBAEITJQKIIS-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC12CCC(CC1)C2)C1(CC)CC1	2065313982	ZAMMZCVDDLPZRX-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(NC2CC(CC(C)(C)C)C2)c1F	2067982518	GIXKDNBGVHXIIX-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CC1(C)CC[C@@H]1CN[C@@H]1CCC2(CCCCC2)C1	2068238473	FOAIAVOJCZJPJE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@H]1CC12CCC2	2069191411	YGEAQEIGSQFPOY-ZDUSSCGKSA-N	242.362	4.573	0	10	BJAE	
CCN[C@H](C[C@H]1C[C@H]1CC)C1=CCC(C)(C)CC1	2071512408	UQFWOXBWXSJUOR-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CCC)NCC1CC2(C1)CC21CC1	2072235028	VDXAIGHZTMLJCY-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C[C@]2(N)CC[C@H]3CCC[C@@H]32)CC1	2072805991	HTYNFWIXMUSOCK-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2C[C@]12CCCC[C@@H]1C2	2074004101	QJYGKEKGBRGKKA-CPUCHLNUSA-N	241.378	4.556	0	10	BJAE	
CCN[C@H](C[C@@]12CCCC[C@H]1C2)C1(CC)CCC1	2074024438	IHOJPSUPFYQEQF-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H]2CCNC3(CCCCC3)C2)C1	2074142575	UHLDTEUIMZZXQH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H](c1ccccc1)N(C)C1CCC(C)(C)CC1	2074795012	QKQTWWVOVQMADM-CQSZACIVSA-N	245.410	4.648	0	10	BJAE	
CC(C)(C)[C@@H]1CNc2c(cccc2C2CCC2)C1	2077265570	WSEHILOPUFEXQG-AWEZNQCLSA-N	243.394	4.584	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1C[C@H]2CC[C@H]1C21CC1	2078341091	VTACHCCOZKHZBK-JJXSEGSLSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H]2C[C@@H]2C2CCC2)CC1	2079447290	OMZWIZTZHIQPGQ-NJINODPHSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@@H]1C[C@H]1C1CCCCCC1)[C@@H](N)C(C)C	2079700706	KTZGTYJHUXQPSV-IKGGRYGDSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)C[C@@H]1CC12CC2	2086352572	GEQWTCOPGLANIV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CNc1cc(C)c(Cl)cc1F	2210738377	MQAUVZBHBQYUII-UHFFFAOYSA-N	241.737	4.556	0	10	BJAE	
CCN[C@H](CCCCCCC1CC1)[C@@H](C)CC	2213574298	RQIDZLOXYTYVOG-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H](N)C2CCCCC2)C1	2214765948	RDSOGZVUEYCDFW-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)C1(C(C)(C)C)CCC1	2215344909	GHXHOAYVCBHGNL-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCC(C)C)CC1(C)CC(C)(C)C1	2215398599	NTGKXSJUTUSXHD-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@H](C(C)(C)C)C1)C(C)C	2216257733	MRRHIEKUFSGHEK-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CC[C@@H]1[C@@H](O)CCCCCCCC1CC1	2216862443	YWHFDWVVPIYBSF-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC1(CCC(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218379050	YVPCGJAETWJKRC-FICVDOATSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(OCCCCCCC2CC2)cc1	2218724837	KSJSJUZROLYLLM-UHFFFAOYSA-N	246.394	4.988	0	10	BJAE	
Cc1ccc(F)cc1NC1CCC(C2CC2)CC1	2218894762	MBIJBQHIPHSFAZ-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC[C@@H]1CC=C(C)CC1	2221668073	NVBHRPIWJCHWRJ-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@]1(CNC1CCC1)C1CCCC1	2223576114	FSBDHKIQMWEUDM-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@H](NC)c1cccc2ccoc12	2224202365	MIRGMWFESWLDJO-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CC1CC(C)(C[C@H](N)C2CCCCCCC2)C1	2246455610	ZPMJMVOVSGOPNS-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)[C@H](N)CC[C@H]1CCCCC12CC2	2246620374	MHBSQENKIXTION-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](O)CCCC2CC2)C1	2246695908	QCQPLZUXGUYKLT-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
Clc1ccccc1NCC1CC2(CCCC2)C1	2246787770	OUQYXDKOJVERRH-UHFFFAOYSA-N	249.785	4.722	0	10	BJAE	
C[C@H](C(=O)c1cc2ccccc2s1)C(C)(C)C	2246950388	BKRXOYFNZNEKLU-SNVBAGLBSA-N	246.375	4.766	0	10	BJAE	
CCCCC[C@@](N)(CC)C1CC2(CC(C)C2)C1	2247065519	NWDRXRLPYXKSEA-AUSYRVNMSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H](C)[C@@H]2CC23CCC3)c1	2248283431	NRZPFFVBPYNGDX-NEPJUHHUSA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1CCCCC[C@@H]1O	2248819052	HKDHXKUCSBVBHN-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CCCCC[C@H]1C[C@@H]1C	2248873447	UZSQLRHIIDMSDH-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](Nc1cc(C2CC2)ccc1F)C(C)C	2250120329	BAESSGIMMULQBF-CQSZACIVSA-N	235.346	4.550	0	10	BJAE	
CC(C)(C)CC1CC(C[C@](C)(N)C(C)(C)C)C1	2251604479	PIGVZWBVFJYGMF-ZUEPYMLJSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@H]1CCC(C)(C)C1=O)C1CCCCC1	2251714382	WUYIGPMMNVVJCB-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
Cc1ccccc1OCC[C@H]1CCCCC12CC2	2253799359	DMDDEIBEMPEJCG-OAHLLOKOSA-N	244.378	4.734	0	10	BJAE	
CN[C@H](CC1=CCCCC1)C(C)(C)C1CCCC1	2255100387	NRQOUDAFNGRMHH-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1CCCC12CC2	2257241088	NFXVFXUFSVUDKV-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](C[C@@]23CCCC[C@@H]2CC3)N1	2260626599	WXJWZTRRHIOVJG-NCOADZHNSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@]23CCCC[C@H]2CC3)C1	2260638492	NPJATVQPFJWOES-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](Nc2ccc(F)cc2)C1	2261393895	ABMPTDRKENWMJO-AWEZNQCLSA-N	249.373	4.843	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCC12CCCCC2	2300703142	BXAHHXROAXVQME-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCN(CC=C(C)CCCC(C)C)C(C)C	2300887573	IVTPJUCFECXZFF-UHFFFAOYSA-N	239.447	4.879	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC1CCCCCC1	2301134828	CQYRSCKJFNEXFG-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC(N)(CC2CCCCCC2)CC1	2301143667	WCZDKZPMFIHEIT-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@](C)(N)C1(C)CCCCC1	2301829823	SLHKTJADQSPFLG-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C1(N)CCCCCCCC1	2301899270	HFEWDTNOSPSEAE-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1[C@H](C(=O)CC2CCCCCC2)CC1(C)C	2302079608	JPOSXSPTZLLLHE-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](O)(CCCC1=CCCCC1)C(C)(C)C	2302332619	WSOUXXBRWIJRTQ-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCC1CCC(CC[C@@H]2CCCC[C@@H]2N)CC1	2302659530	AMFWHZWOSVBRET-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@H]1CCC(C)(C)C1	2302676463	VNDGDCZEVCGGRN-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C(C)(C)C(C)C)CC1	2303582863	IAAIWDLOYZGOPR-CQSZACIVSA-N	236.399	4.764	0	10	BJAE	
CCc1cc(F)cc(N[C@H](C)c2ccsc2)c1	2304017153	LJAZWDDGZOXLEV-SNVBAGLBSA-N	249.354	4.623	0	10	BJAE	
C[C@@H]1C[C@H]1COc1ccc2ccccc2c1Cl	2307641064	WVLHPTJNZNZFBS-PWSUYJOCSA-N	246.737	4.528	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CC1CC(C)C1)NCC	2307894488	RILZKXUUIJMWOD-KNIAUWFNSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC[C@@]23CCC[C@@H]2C3)C1	2310380358	UTTCDPWPFGOVRY-KLZNWCGWSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H]1[C@@](C)(N)C[C@@]12CCCC[C@@H]1CC2	2313352920	FDPVINGHNBIASK-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@H]1CCC[C@H](C(C)C)CC1)C1CC1	2315267468	ZLMQDJDJJLHJHE-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1C[C@H]1C1CC1)CCCC(C)C	2316512044	ZAMGGDPPDQZQSH-BBWFWOEESA-N	249.442	4.523	0	10	BJAE	
CC(C)c1ccc(CN[C@@H](C)[C@H](C)C(C)C)cc1	2317668690	ZZHTVWWHOMRBBI-CABCVRRESA-N	247.426	4.580	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@@H]2CCCCC23CC3)C1	2319123853	MXNRMONUHQJBKI-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCCC1CC(N)(CC[C@H]2CC[C@@H]2C2CC2)C1	2319751945	VPGMHHJMWUIUEH-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
CN(CCC1=CCCCC1)C[C@@H]1CCC(C)(C)C1	2319852870	BBOITAAGTHNLEK-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
Cc1c(F)cccc1NC[C@H]1CC[C@H]1C(C)(C)C	2320239476	DOLPXWZUZDEXNZ-CHWSQXEVSA-N	249.373	4.618	0	10	BJAE	
Cc1cccc(OC[C@@H]2CC[C@@H]2C(C)(C)C)c1C	2320253600	NDLPRYYEKWMIIX-GJZGRUSLSA-N	246.394	4.755	0	10	BJAE	
Cc1cccc(NC[C@@H]2CC[C@@H]2C(C)(C)C)c1C	2320319137	DLBKMGOPVYJESO-GJZGRUSLSA-N	245.410	4.788	0	10	BJAE	
CC1=C(C)C[C@@H](CN(CCC(C)C)C2CC2)CC1	2320334968	ACJYETDLIDKQBP-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1	2320416808	NQPCUIYESLXTQB-LJIGWXMPSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)C(C)(C)C2CC2)c1	2327787187	SMOMAPGBUKKBBC-UHFFFAOYSA-N	244.378	4.737	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@H]3CC[C@@H]32)c1F	2327804913	WOIYMSIHJWVHNG-KWCYVHTRSA-N	247.357	4.550	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C1CC2(C1)CC21CCC1	2328293642	QGKDAMRHDBRGEH-GJEMEMOUSA-N	249.442	4.501	0	10	BJAE	
CCCCCN[C@H](C)c1ccc(CCCC)cc1	20553634	OWJWHIWZBJYBNT-OAHLLOKOSA-N	247.426	4.870	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H](C)c1ccccc1	21048722	OWNCYOCMPRBHKC-GFCCVEGCSA-N	245.753	4.822	0	10	BJAE	
Sc1c(Cl)cc(Cl)c(Cl)c1Cl	33505815	DKRBSULGQNLLNQ-UHFFFAOYSA-N	247.961	4.589	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CCC[C@H](C)[C@@H]1C	36664816	KSUCEWVVXRBTJW-UVPYHEFZSA-N	239.447	4.616	0	10	BJAE	
CC(C)c1ccc(-c2ccc([C@H](C)N)s2)cc1	36927735	CPLGCECMGVVJCW-NSHDSACASA-N	245.391	4.558	0	10	BJAE	
CC[C@H](C)Nc1ccccc1SC(F)(F)F	36934423	ILCYVVHGTIQHKD-QMMMGPOBSA-N	249.301	4.509	0	10	BJAE	
CC[C@H](C)C[C@H]1C[C@H](c2ccccc2)CCC1=O	50426050	FKZZHCXSJRWETD-IMJJTQAJSA-N	244.378	4.576	0	10	BJAE	
CCCCCC[C@@H](C)N[C@@H](CC)CCCC	68986603	KFVZCAHBOMVRPQ-CABCVRRESA-N	227.436	4.904	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@H](C)CCC	70745731	CSQVGBHAWFSNRJ-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
C[C@H]1CC[C@H](Nc2ccc(C(C)(C)C)cc2)C1	80425989	PMXCTCXJZJHXHV-WFASDCNBSA-N	231.383	4.585	0	10	BJAE	
CCCCCC[C@@](C)(CCC)CNC(C)C	82441807	HJKFLYNPPSSZGX-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](C)CNC(C)C	82764033	NZQCNCNNLWBFEO-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC(CCC)N[C@H]1CCC[C@@H](CC)C1	82847505	KIHWQWZODZEQJQ-HIFRSBDPSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(F)cc(N[C@H]2CCCC(C)(C)CC2)c1	91510020	LTIQGNUTHPJFQR-AWEZNQCLSA-N	249.373	4.905	0	10	BJAE	
CC/C=C\C[C@H](CC)c1ccc(O)c(C)c1	107487720	RPFDWTZQHMKWKI-FWWRYZNZSA-N	218.340	4.551	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)c1ccccc1	109724566	XDERHNAPCPYCSG-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)CCc1ccccc1	109728770	KKUHOUOTYRGHCD-DOTOQJQBSA-N	247.426	4.553	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1ccc(C)c(C)c1	109781457	USCASVGXDDQIBE-ZBFHGGJFSA-N	234.383	4.553	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)C1=CCCCC1	110229599	JZIDAXNPYPGYEY-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cccc(C)c1Cl	124248859	SPBFHNZJFZWQSX-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CN[C@@H](C1CCCCCCC1)C1CCCCC1	126455610	ZQUDBGAGFVCQCX-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCN[C@@H](c1ccccc1)C(C)C	134293742	VTNXDDFXFQLPAT-QGZVFWFLSA-N	247.426	4.800	0	10	BJAE	
c1csc(-c2ccccc2NCC2CCC2)c1	149482401	XBXKLYPDHSAHLQ-UHFFFAOYSA-N	243.375	4.627	0	10	BJAE	
CCCCCCC(O)(CC(C)C)CC(C)C	163707747	UEKIYSLOVRHHJV-UHFFFAOYSA-N	228.420	4.780	0	10	BJAE	
C[C@@H](CC(=O)[C@H](C)C1CCCCC1)C(C)(C)C	225691162	YLDYKUISLWEBNB-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCC[C@@H](CC)C1	226929037	NERYFJSDAOTHBB-RRFJBIMHSA-N	225.420	4.514	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@@H](CC)c1ccccc1	228810834	LEMARJSEDHANEM-BHYGNILZSA-N	247.426	4.595	0	10	BJAE	
CC(C)(C)c1ccc2[nH]cc(CC3CCC3)c2c1	232512234	DSGZXZBMHYDJBR-UHFFFAOYSA-N	241.378	4.808	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)([C@H](C)CCC)CC1	233284495	BQRPTNPPSLPPNG-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(C2=CCCCCC2)CC1	234079374	PQVZBEBUMXONHK-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CC(C)SCc1csc2ccccc12	258050387	BIOXSGBBVYWLJQ-UHFFFAOYSA-N	222.378	4.543	0	10	BJAE	
CCC[C@H](C)[C@H](O)[C@H](c1ccccc1)[C@H](C)CC	300465253	LSAMKZNYMKTEFP-OHFALNGGSA-N	248.410	4.613	0	10	BJAE	
CC(C)C[C@H](C)CNc1ccc(Cl)cc1F	300738054	ALYDDYUYTMKOHM-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCCC(C)(C)C)CC1	302284350	JVUBYIPUEYXOFQ-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](CCC)C1CC1	302524034	PRLZJAVYYKQFFS-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CC1(C)CCCC1	308044619	DZSKKQNVTUUDRS-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@H](CCC2CCCCC2)C1	310064098	BQOVQMKZHCHQJI-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)NCC1CCC(C(C)C)CC1	310141494	KIHWNCFAORRDNI-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
c1ccc(N[C@@H]2CCCCC23CCCC3)cc1	310301491	UMNDSVDTRDMRQA-OAHLLOKOSA-N	229.367	4.602	0	10	BJAE	
CC1(C)CCC(C[C@]2(C)CCCCCN2)CC1	310391988	IZDWDGUCZIKUFD-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(CN)CCCCCC2)C1	310465349	ZGQLABZJPYORHD-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CC1(C)CCC(C[C@H](N)CC2CCCC2)CC1	310507841	KXNQVKGGPGIRAS-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC(C1CCC1)C1CCC1	310624805	JHOLNFAHIDAVJI-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
Cc1ccccc1N[C@@H]1CCCCC12CCCC2	311160088	YEVXPMQSEFRZSZ-MRXNPFEDSA-N	243.394	4.910	0	10	BJAE	
CCC[C@@H]1CNCC[C@@]12CCCC21CCCCC1	312981102	BIGHXRDAUXWTNJ-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CCCC[C@@]1(CNC2CC2)CCC[C@H](CC)C1	317545730	ADVZKKCYHJQFAH-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CNC(C)(C)C)[C@@H]1C=CCCC1	318124508	MKDXNRUEQMASTC-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](c1cccc(C)c1C)[C@H](C)[C@@H](C)CC	320028760	JLRPZUZCYKZADT-MJEQTWJJSA-N	247.426	4.636	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)C(C)(C)C1CCC1	322507922	PPQFUOUBGWAICF-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C(C)(C)C2CCC2)C1	322979244	OWACQSIEFLEWER-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CCC[C@@H](C(C)C)C1	382681210	RMMQETAOIJSYGW-ARFHVFGLSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](N[C@H]1CCC12CCCCC2)C1CCCC1	382814107	WFHOPHHJERMXRR-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@](C)(O)CCC(C)(C)C)C1	383569305	JTCWASPMTSSKKD-IIAWOOMASA-N	240.431	4.780	0	10	BJAE	
CCc1ccccc1C(=O)[C@H]1CC[C@H](CC)CC1	385581231	FVLGPNXVGGOAHN-CTYIDZIISA-N	244.378	4.648	0	10	BJAE	
C1CCCC(CN[C@H]2CCC23CCCCC3)CC1	389661086	UCDKERIUSAHDNE-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H](Nc1ccccc1)c1ccsc1	390779442	IDWOBSRHAQIZDL-AWEZNQCLSA-N	231.364	4.701	0	10	BJAE	
CC(C)C1(CNC2CCCCCCC2)CCC1	687280232	SPQZGPZQFXAPBL-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)c1cc(C)ccc1C	696596161	YACLKRVXJZLXNC-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCC(C)(C)CC[C@](CC)(CN)c1ccccc1	696686578	JANRUCYXEAAQMI-QGZVFWFLSA-N	247.426	4.510	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CCC(C)(C)CC)C1	696740705	RSAKHEFXRBZHGJ-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)c1cccc(C)c1C	697767577	OFIJOTRTPMKOPI-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCC=C(C)C)NC	704908572	XCDIBKPMDJBBCM-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CC1(C)CCC(C[C@](N)(C2CCC2)C2CC2)CC1	705390719	QLUQMIRIUVILAF-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC(C)CC[C@@H](NCC[C@@H]1CC=CCC1)C1CC1	706867964	LLFOSAOIJZTIRC-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(C)(C)C)CC1(O)CCC(C)(C)CC1	709257835	ISZVEVPYMLFSRE-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC([C@](C)(N)[C@]23CCCC[C@H]2C3)CC1	709270833	BSCPIJYQQGXOKC-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@@H]1CCCC2(CC2)C1	710139068	HJWVCNJTPOGUBE-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2CCCCC23CCCC3)cs1	710729519	RYTMARSUOXXNAZ-CQSZACIVSA-N	249.423	4.971	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@@H]2C[C@@H]2C2CC2)CC1	712900547	XHVWWIPQPRIPQF-GDBMZVCRSA-N	248.410	4.598	0	10	BJAE	
C=C/C=C/CCc1cccc(Cl)c1Cl	713736252	CPFVEBOMEYOOLU-ONEGZZNKSA-N	227.134	4.668	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCCC2(C)C)cc1	719265590	JKJBKJJHPZUFNF-OAHLLOKOSA-N	231.383	4.766	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H](C)CC1CC1	720989780	NBQWJMUCXQZMIP-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C(C)(CC)CC	721690997	IACZZGVKOMPAQA-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
c1cc(SCCCC2CCCCC2)ccn1	1559379332	NJBGGIAGCKVOEK-UHFFFAOYSA-N	235.396	4.534	0	10	BJAE	
CCCC[C@@H](CC)CN(C)C[C@@H](C)C(C)(C)C	1560127951	ZVYIRTLUYZQYDE-HUUCEWRRSA-N	241.463	4.817	0	10	BJAE	
CC1(C)CCC[C@@H](CNCC2CCC=CCC2)C1	1621079523	BNYKTYOIDGZBEH-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CCc1cccc(CSCC(C)(C)C)c1	1643924393	FIUFJOSACKJQGM-UHFFFAOYSA-N	222.397	4.528	0	10	BJAE	
C[C@@H]1C[C@H]2CCCC[C@H]2N1CCC1=CCCCC1	1652530487	QEHGZKFHOXODQQ-DJIMGWMZSA-N	247.426	4.530	0	10	BJAE	
C1=C[C@@H](N2CCC[C@@H]2CCC2CCCC2)CCC1	1657809626	DKGYCOPLNMKNAG-IAGOWNOFSA-N	247.426	4.530	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCCC1CCC1	1900582210	BPTDIXZSDGSJGA-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCCCCc1cccc(C2(C)CC2)c1	1901884900	OETOFFYRAJWGPO-UHFFFAOYSA-N	216.368	4.861	0	10	BJAE	
CC(C)CCCCc1nc(C(C)(C)C)cs1	1901885119	QWDTZOOQQOKMBQ-UHFFFAOYSA-N	239.428	4.809	0	10	BJAE	
Cc1ccc(-c2nc(CC3CCC3)cs2)s1	1901908409	LIARJBFTSLEMGR-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
CC=CC[C@H](CC)c1ccc(F)c(C)c1	1911870993	VNQQZPHXKMMCIH-LBPRGKRZSA-N	206.304	4.594	0	10	BJAE	
C=CC=CCC[C@H]1CCCCCCCC[C@H]1O	1913391043	MVLYBEKBVPYULB-JKSUJKDBSA-N	236.399	4.620	0	10	BJAE	
CC(C)(C)C[C@@H]1CCCCCCCC[C@@H]1O	1913392763	SIQIGZWDJBMHED-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@]1(O)CCC2(CCCCC2)C1	1915857816	MXYJIXVFRFFDIL-INIZCTEOSA-N	238.415	4.822	0	10	BJAE	
CCCN[C@H](C[C@H]1C=CCCC1)C1CC(CC)C1	1921288950	CYSKKKHHZOULKT-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H](CC[C@H]2CC2(C)C)c2ccccc2N1	1921558022	LWROQQRRPUCYKD-RDBSUJKOSA-N	243.394	4.801	0	10	BJAE	
CCCCCC[C@@H]1[C@H](CN)CCCC12CCC2	1924836334	HFJBCZNHNZMHNL-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C[C@@H]1C=CCCCC1	1925891920	QLQFOEOILGZTQB-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@H]2C=CCCCC2)C1	1925919821	HOSDITDMPMZPJS-IXDOHACOSA-N	249.442	4.668	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)C1CCCCCC1	1925946168	QUMGKQPONGYZAM-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC1(C)CCCCC1	1935622318	FTCSPFOGTMSMIC-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCC1(NC2CCC(C(C)(C)C)CC2)CCC1	1940156150	PODZCSXXERKBDC-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CCCC[C@]1(CN)CC1(C)CCCCC1	1940400807	DFTOHFHGPFVKQL-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CCC[C@H](C)[C@H](CCC[C@@H]1CC1(C)C)NCC	1940876838	NKJDEKLXFAJCSK-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H](CC(C)C)C(C)C	1941266285	CVRQCVGCEOUKMH-CVEARBPZSA-N	241.463	4.719	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)C)[C@@H](CC)C(C)C	1941271431	DLFSXRXKXIERIF-HRCADAONSA-N	241.463	4.719	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CCCC12CCCC2	1942659099	QPUHEWFUNRSEFW-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(O)CCCC(C)(C)CC1	1942665008	UZMVTXHTQTTYRQ-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@]1(N)CC(C)(C)CC2(CC2)C1	1943082069	JGTXBZVIVBMVCH-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C(C)(C)C1CCCC1	1944642947	ZGJBWRWGNJNMEO-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2CCC[C@H]2C)C1	1944795768	WUQWTGYYIZBKBQ-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CC1(CNC(C)(C)C2CCCCC2)CCCC1	1945379263	JALLFJLYLJJLQP-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC(C)(C)C)CC(C)(C)F	1947081568	RZGJKRYLMCBISR-OLZOCXBDSA-N	245.426	4.565	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CCC2)c1cccs1	1947878761	LLWVPFKBYADIEO-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)CCCCCC1CC1	1948321393	JHBYUGILZLUJGY-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(C)n1[C@H]1C[C@@H]2CCCC[C@]2(C)C1	1948564794	VWGLRGLNGXZTFS-HRCADAONSA-N	231.383	4.636	0	10	BJAE	
CCC1(C[C@@]2(N)CC(C)(C)CC[C@H]2C)CCC1	1948980847	CTXMNVUNOPRIAA-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)(CC[C@@](C)(N)CC1CCCC1)C1CC1	1949035281	NVLIFZAPTVNCDJ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCCC1CCCC1)CC1CCCC1	1949864522	OEYYEOYLGFSBEE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(CO)CCC[C@H](C)CC1	1950908283	LZKJCVKJMCICDC-JYJNAYRXSA-N	240.431	4.638	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CCCC2CC2)CC1	1950914385	PHROAEWENYKLTJ-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CCC2CCCC2)CC1	1950929888	KUTBDCDPOAGYLR-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)[C@@H](C)CC(C)C)C1	1963181655	FAMKYACUHBAOPZ-UONOGXRCSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CCC[C@H](N[C@@H]2C[C@@H]3CCCC[C@@H]3C2)CC1	1966046944	YOBLBDFLTDXECE-ZOFXXKQRSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@H]2CC(C)C)c1	1968230692	ULDIQVSRSHEZKT-LSDHHAIUSA-N	231.383	4.540	0	10	BJAE	
Cc1cc(C)cc(OCC2CC(C3CCC3)C2)c1	1968308501	WIDUWABKIWQAPH-UHFFFAOYSA-N	244.378	4.509	0	10	BJAE	
CCc1ccc(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)cc1	1968314051	OHIGSEOIRYNTPT-SCAQPMJSSA-N	243.394	4.630	0	10	BJAE	
Cc1ccccc1-c1nc(C2CCCC2)cs1	1968416674	XKXPTEGJJFDUKN-UHFFFAOYSA-N	243.375	4.776	0	10	BJAE	
F[C@@H]1CC[C@@H](CNc2cccc(C3CCC3)c2)C1	1971535660	WFDSKWORPJHAAU-IUODEOHRSA-N	247.357	4.504	0	10	BJAE	
CC[C@H]1CCCC[C@H]1NCCC1CC2(CCC2)C1	1973744218	NRVZVCQXROPSDU-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCC(=O)C[C@@H](CC)C(C)(C)C	1984575301	LEYLSFSFRCMKNJ-CYBMUJFWSA-N	224.388	4.764	0	10	BJAE	
C/C=C/CCCNc1ccccc1SCC	1984617444	ZVSUOZBCHOPEAV-HWKANZROSA-N	235.396	4.567	0	10	BJAE	
CCCC[C@@H](CC)N[C@H](C)C1(C)CCCC1	1987620906	MMUWNMHERJFROM-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CCC(O)(CC)CC[C@H]1CC[C@H](CC)CC1	1989809787	KVTCKMPXHAEYEE-HDJSIYSDSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CC(F)=C(C)C	1990124660	BGDYFWBIMXRWBV-CYBMUJFWSA-N	229.383	4.541	0	10	BJAE	
CCCC[C@H](CC)N(C)CCCC(C)(C)C	1990840833	LAYFDHAROVCWDA-AWEZNQCLSA-N	227.436	4.713	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(N)C1(C)CCCCC1	1995985874	LTMXAJZVCHBKJH-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@]2(C)CCCC2(C)C)C1	1997342858	YBPZPVCYMFYHES-CJNGLKHVSA-N	237.431	4.514	0	10	BJAE	
CN(C1CCCCCC1)C1CCC(C)(C)CC1	1998427736	WPCYOCNEUFSYLT-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
C[C@@H]1C(CC2(O)CCCCCCCCC2)[C@H]1C	1998544235	VRSKGQXKMRWOBU-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CCC[C@H]1CCC=CCCC1)NC	1999993206	KMTMMMQWBYTWKU-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@H]1CCC=CCCC1	2000000312	AZZHEOGDRCMFLY-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@@H]1CCC2(CC2)C1	2003199325	UPPHLAQHCQPREM-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C(=O)C[C@@H](C)CCC(C)C)cc1	2003647799	YGEIIWUHXWEGIP-AWEZNQCLSA-N	232.367	4.640	0	10	BJAE	
CCCC(CCC)CNC1CC(C(C)(C)C)C1	2004710967	FGHUSUOPMZPLPB-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC1(C(=O)C[C@@H]2C=CCC2)CCCCCCC1	2004937459	PCGILFOHPXPFMB-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
C[C@@H](CC(=O)C1(C2CC2)CCCC1)C(C)(C)C	2008478028	SEMQREZMUKJVGP-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](Nc1ccc([C@H](C)CC)cc1)C(F)F	2009033581	KWPMIMIYZZLQEV-MFKMUULPSA-N	241.325	4.656	0	10	BJAE	
C/C=C/CCCC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	2009573779	BTUDWPVCVMOPAT-BLRPHBDSSA-N	236.399	4.764	0	10	BJAE	
CC=CCCC[C@H](N)[C@@H]1CCC[C@H](CC)CC1	2009597412	DBLKDDVGRQLRRY-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H](CC)CC(C)C	2009619676	NSMBTMPMIVKDST-GRLYAWNKSA-N	239.447	4.783	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CCC[C@H](C)C1	2009636505	XGALJQHINXKTRC-QPSJONLNSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C1=CCC(C)(C)CC1	2010747561	KUHOWRDJBUGMGC-HUUCEWRRSA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC12CCC(CC1)C2	2012810609	RDULRJLMLCILDJ-PWUWZPNHSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CCC(C)C)NCC[C@H]1CC=CCC1	2013264074	KPJSNYVQNQOHHP-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)C1(O)CC(CC(C)(C)C)C1	2014652123	KKLGTJSPPXRDDQ-VQCLRJIVSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@H](C)NCCC(C(C)C)C(C)C	2015361164	QDYZPEKNLQKMBE-HNNXBMFYSA-N	241.463	4.719	0	10	BJAE	
CC(C)(CC(F)F)C(=O)CCCCCC1CC1	2016028722	RHOPFSQSKTXUIT-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](CC(F)F)C[C@](C)(O)CCC=C(C)C	2016142846	BSHTVGBBGBIEIZ-TZMCWYRMSA-N	248.357	4.555	0	10	BJAE	
CC(C)C1(C[C@@]2(N)CCCCC2(C)C)CCC1	2017142513	WNMRIZBLYAGTCO-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)CC1(C(C)C)CCC1	2017144708	DTALWGAJGUGBJS-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)CC1(C(C)(C)C)CCC1	2017144867	WZWQAZAAFRWHCM-KGLIPLIRSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)[C@@H](N)C1CC(C)(C)CC(C)(C)C1	2017473374	SCPBVGOVVYZANI-CQSZACIVSA-N	237.431	4.523	0	10	BJAE	
CN[C@@H](C(C)=C(C)C)C1(C)CCC(C)(C)CC1	2017476974	CTPJYPISSFRBPQ-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](N)C[C@H]1CC[C@H](C)CC1	2017729465	XATLLRKHMGRDJH-FPCVCCKLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2(O)CC(CC)C2)CC1	2017769317	FQPMTPBSSWQHIK-DICYVTDZSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](CCCC(=O)C(C)(C)C)CC1	2017776980	XEEGTODCFJXORT-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
CCCC1CCC(CC(=O)CC2(C)CC2)CC1	2017777164	ZHRLDMSJDZREIG-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC1(C(C)(C)C)CCC1	2017800096	XXVSLRQFSNMXGI-OAHLLOKOSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)C1CC2(CC2)C1	2018129498	CWGHSMHIIFROSX-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](CC)NCCC1=CCCCC1	2018138048	BQRAZOJPUWKSHC-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CCCC1(C[C@](C)(N)[C@@H]2CCC[C@@H](C)C2)CC1	2018922592	AKCVVXVIPKSYOQ-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCN(C)[C@@H](C)c1ccccc1	2019113984	QOXGMGVIOHNXOB-AWEZNQCLSA-N	233.399	4.506	0	10	BJAE	
CC(C)CC[C@H](C)N(C)C[C@H]1CCC[C@@H](C)C1	2019173916	YOONCFIGUWXUEN-PMPSAXMXSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCC[C@H](N2CCCCCCCC2)C1	2019202989	NKCSCTFOXXQBQU-CVEARBPZSA-N	237.431	4.611	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N(C)CCCC(C)(C)C	2019325907	PVCOTFRRQCSYPE-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(CC)CC(C)C)CC1	2019478218	QDPZKVLIMOVLPZ-WKILWMFISA-N	239.447	4.571	0	10	BJAE	
CC(F)(F)CCCC[C@](C)(O)CC1CCCC1	2023304946	QWPRHRULMRBIRJ-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CC(C)(C)C[C@H]1NC	2023610179	GYVLLEYZCUSUHU-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC1CC(F)(F)C1	2026080555	RRSMDFDANHJEKV-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CC1(CCCNc2ccccc2C(C)(C)C)CC1	2027842271	HCPWYWRLXXPROW-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
Cc1cc(C)cc([C@H](N)[C@@H](CC(C)C)C(C)C)c1	2028256238	XKEUITOFXJGKBV-IRXDYDNUSA-N	247.426	4.622	0	10	BJAE	
CCCC[C@H](NCC)c1ccccc1CC(C)C	2028914625	IGXLRXIFJVGRMX-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C2(C)CC(C)(C)C2)c1	2029106431	VFBCAUSLQUPRSE-OAHLLOKOSA-N	246.394	4.670	0	10	BJAE	
CCC[C@@H](C)CCN[C@H](CC)c1ccc(C)cc1	2029968142	ZIIDMNNNLARVDX-RHSMWYFYSA-N	247.426	4.862	0	10	BJAE	
C[C@@H]1C[C@H](NC[C@]2(C)C=CCCC2)CC(C)(C)C1	2030351397	JVYJYPZHTMMWRE-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)[C@@H](O)c1ccc(C2CCCC2)cc1	2031751153	ANBXWJBXKAFJGV-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
O=C(CC1CCCCCC1)CC1[C@@H]2CCCC[C@@H]12	2032774999	FIDYDHFAZDPLFY-HZPDHXFCSA-N	248.410	4.742	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@H]1N[C@@H]1C=CCCCCC1	2035427615	DTPUDITZEGBYFL-QBPKDAKJSA-N	249.442	4.536	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCCCC12CCC2	2035887769	QRKUDKHTHMVNDC-AWEZNQCLSA-N	247.357	4.659	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@H]1CC12CCCC2	2036099606	ZFEUPUAVWPCVQI-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)c1	2036668981	WEJFRMDBSSMQCT-USXIJHARSA-N	243.394	4.766	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1ccc(CC(C)C)cc1	2037147247	UOVNASDJKNGHEL-QGZVFWFLSA-N	245.410	4.631	0	10	BJAE	
CC[C@](N)(CCC(C)=C(C)C)c1cccc(C)c1	2037168100	DTJUIZMSJUPGEN-KRWDZBQOSA-N	245.410	4.696	0	10	BJAE	
CCC[C@@](N)(CC1CCC=CCC1)[C@H]1CC1(C)C	2037206750	DOUHWYPOLMJHPE-DOTOQJQBSA-N	249.442	4.667	0	10	BJAE	
N[C@@]1(C[C@H]2C=CCCCC2)CCCC12CCCC2	2037273065	LNOJJIGSOFDMJI-DOTOQJQBSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CCC23CCC3)cc1	2037479161	VTIDLNFXUKFQPN-XJKSGUPXSA-N	243.394	4.945	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)CC(C)(C)CC3(CC3)C2)C1	2037588078	UUFSNEYHIJCUKI-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CCC1CC1)[C@@H]1CCC2(CCCC2)C1	2037758335	OKFSWCIVHVVPTD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@H]2C(C)=CCC[C@@H]2C)C1	2039442272	RSDYSGQUVJRHGW-QEOTZNIISA-N	249.442	4.523	0	10	BJAE	
NC[C@H]1CC12CCC(CCCCCC1CC1)CC2	2040477380	JMHQRAXYZRDZLJ-AQFXKWCLSA-N	249.442	4.502	0	10	BJAE	
CC(C)NC[C@@]1(C[C@@H](C)C2CCC2)CC=CCC1	2042091190	JKAYABSOPSFAAM-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc(C(=O)C2(CCC)CCC2)cc1	2045568887	FIJBFEJNGYGLHB-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNCC2(C)CC=CC2)CC1	2047729065	MSMLNLPLFQDSGN-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CCNC[C@]1(CCCC2CCC2)CCC12CCC2	2047939162	LHTAAHGSRMQQPE-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)CC1CCC2(CC1)CC2	2049857025	PLFXRDPHDXPDKV-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CCC(CN[C@]2(C)C=CCC2)CC1	2049967791	GRHJCKUCQCCMCL-VMBOVVBDSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)C)c1cccc(C)c1	2050429384	YLIWPKQOEYANOH-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CC(C)=C(C)CC[C@]1(CN)CCCCC12CCC2	2053420809	MWOKCQSBZRENJJ-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCC(C)=C1C)C1CCCCC1	2055539838	KECIUIKWUQEMKA-IAGOWNOFSA-N	249.442	4.824	0	10	BJAE	
CCCC[C@H](N[C@H]1C=C(C)CC1)c1ccccc1	2055843258	YJHWTUXBQVOPGY-SJORKVTESA-N	243.394	4.616	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2CC23CCCCC3)CC1	2059004754	ZKCPFIRHUUZFFO-SOUVJXGZSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@@](O)(CC(C)C)c1ccccc1	2059224125	WWPAMDLOFLPIBH-QGZVFWFLSA-N	246.394	4.667	0	10	BJAE	
C/C=C/CCC[C@H]1[C@H]2CC[C@@H](C2)C[C@H]1NCCC	2059246366	BNSADIROWZOEKJ-TXWCRZDGSA-N	249.442	4.537	0	10	BJAE	
CCc1c(Cl)ccc(Cl)c1C(F)(F)F	2060074733	VEXUNFLGPZLCNG-UHFFFAOYSA-N	243.055	4.575	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)[C@H]2CCCC2(C)C)CC1	2061090013	XPNUTDTXOMAARC-FVQBIDKESA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@]1(N)CC[C@@]12CCC[C@@H]1C2	2061621171	DKGLPFPJWWWLOM-MUIFIZLQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C(=O)CC2CC(=C3CCC3)C2)C1	2061702520	SZHKJGZMLIPPPI-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](CC1CC(=C2CC2)C1)NC	2061737267	PIJSRWFOHOIBNN-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CCC(CC)(CC)c1nc2c([nH]1)[C@H](C)[C@@H](C)CC2	2061878982	NHWWWEFDQZOZFC-NWDGAFQWSA-N	248.414	4.563	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1C[C@@H]2CCC[C@H]2C1	2063511472	TYUMAYBOUXQVJD-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(OC[C@@H]2C[C@@H]3CCC[C@@H]3C2)cc1C	2063536831	WLWKNMUUQOVCNH-MUJYYYPQSA-N	244.378	4.509	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)C12CCCC1CCC2	2063811875	DMZVBPHDOZQDMV-CGZBRXJRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC(C)(C)CC1)C1CC2(CC2)C1	2064499181	ZQDJLTXIEAWGAI-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@@H](C)[C@@H]1CCC1(C)C)c1ccccc1	2068286368	FFIDSYIKESECQO-CWRNSKLLSA-N	245.410	4.552	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@@H]2CC[C@@H]2C1)CC1CCCCC1	2068772040	TXOHMWDCTIZFRS-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@H]2CC23CCC3)c2ccccc2N1	2069171405	MPEQJKBKYJQMKK-RDBSUJKOSA-N	241.378	4.555	0	10	BJAE	
CCCC1(CC2CC3(CCC(N)CC3)C2)CCC1	2069344488	LOUTVQKLMXNMAX-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@H](C)NCC1CC(CC2CC2)C1	2070396640	BUNRSSCDJFQEEF-OOHWJJMZSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCC1CC(=C2CCC2)C1	2070402474	HVAZJHIZIQWOIF-CQSZACIVSA-N	247.426	4.601	0	10	BJAE	
CC(C)C1(CCC(=O)c2ccc(F)cc2)CCC1	2071912589	HJACDQPENPWFRK-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCC1)C1(C(C)(C)C)CCC1	2071932660	HDSNEXCGMIWUQU-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1(C(C)(C)C)CCC1)c1ccc(N)cc1	2071946250	NVWUHEOLLYYLEP-CYBMUJFWSA-N	245.410	4.979	0	10	BJAE	
CC(C)C1(C[C@@H](N)C2(C3CC3)CCCC2)CCC1	2071948438	FAMBSRCWPFWSOY-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@@H](N)CC2(C(C)C)CCC2)c1C	2071950009	QHVCJFNUHBJXSA-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2072094385	YZWFUWJEMGNRMV-BVUBDWEXSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC[C@H](CC2(N)CC3(CCCC3)C2)CC1	2072795072	ADZKVCKVEIGUSD-SHTZXODSSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(C[C@@H](C)c2cccc(N)c2)CC1	2072818997	BCGDDGGATAPLRP-WLYUNCDWSA-N	245.410	4.979	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CC[C@H](C)CC1)c1ccccc1	2072868485	GGGNWFWGRKAYPX-RBSFLKMASA-N	244.378	4.576	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CC[C@H](C)CC2)c(F)c1	2072870535	DBJVQAGLTHIJKQ-AULYBMBSSA-N	248.341	4.533	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CCC23CCC3)CC1	2072872450	BUKHGMNULRBBQG-KKUMJFAQSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C2C[C@H]3CC[C@@H]3C2)CC1	2072875105	KLJHULWVTZITMJ-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
C(CCC1CCC1)=C1CCNC2(CCCCC2)C1	2074139085	OPMBHMLLPOPUCZ-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)[C@@H]1CC12CCCCC2	2074633214	AASWXZNGFSAQRX-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1CC1(N)CC2(CCCCCC2)C1	2079861401	FBEMPUSGHNIGJW-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(N)CCC[C@H]3CCCC[C@@H]32)C1	2081118549	NJNQTSGVVRSXJC-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)C=CCCC2(C)C)C1	2082976731	TXJVBDMDSDANIL-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](C=C2CCN[C@@H]2C(C)(C)C)C1	2082982351	KGJXMUSCNHLOLW-ZFWWWQNUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H]1CCCNC12CCCCC2	2083815640	IIULJALXILMENK-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CC[C@H](Nc2ccccc2C2CC2)C1	2085320306	IVQMDJUOVKUXLF-GJZGRUSLSA-N	243.394	4.801	0	10	BJAE	
Cc1cc(Cl)ccc1OCCCCC1CC1	2211118293	KCHOAYQQRAGXGH-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(CCCCCCC2CC2)C1	2213575818	JOCIGUIFMJCBCB-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
C[C@@]1(C(F)(F)F)C[C@H]1C/C=C/c1ccccc1	2213823771	XMYLMFKDGQEEJV-IURQOMBCSA-N	240.268	4.678	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](N)CCCCC1CC1	2214570948	UCNWBSUTKJCJMR-HZPDHXFCSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@H](O)C1CCCCCCC1	2215235185	AUUMZLYQGLGQKJ-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)NCC1(C[C@H](C)C(C)C)CCCC1	2217150902	PRGWWWXGAYMEAD-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@]1(CC(C)(C)C)CCC1(C)C	2217155463	CKRPRWUXTJRRCY-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CC[C@H]1CCCN([C@H]2CCC(C)(C)C2)C1	2218154595	CEVQMFGLRILFCP-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CCc1ccc([C@@H](N)CCCCCCC2CC2)o1	2218717315	CCRMAGCXMPMKBC-HNNXBMFYSA-N	249.398	4.592	0	10	BJAE	
OC1(C2=CCCCCCC2)CCC(C2CC2)CC1	2218895755	ZPMSOLJROZADJX-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C/C=C/c1ccccc1)CCNC(C)(C)C	2219095361	XJQHBMKXENANDC-JQVXPOPVSA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](CCC[C@H]1C[C@H]1CC)c1ccccc1	2220874927	IZACRDKKWYYJDS-HYVNUMGLSA-N	245.410	4.554	0	10	BJAE	
CCc1cccc2ccn(CC[C@@H]3C[C@H]3CC)c12	2220958389	HWGRUERSSXCBEW-GDBMZVCRSA-N	241.378	4.640	0	10	BJAE	
C[C@H]1CCCC[C@]1(CN)CC1(C)CC2(CCC2)C1	2221028595	RGSCPOQIXZCEBS-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)C1[C@H]2CCC[C@H]12	2223123626	NGSWJVMQODDJJR-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC[C@@]1(C)C1CCC1	2223857767	RIOKOQYTEHDNCA-PVAVHDDUSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H](CC)C(=O)CCC[C@@H]1CC1(C)C	2244767971	ROUWPCTVHMBAPV-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC[C@H](C)[C@H](N)CC[C@@H](C)CCCC(C)C	2244846968	JLORRYAUMRUISO-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
CC(C)(C)CC[C@@H](O)C[C@@H]1CCCCC12CC2	2246613509	BEHFWQCYTGPWFM-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCC1CC(CC(=O)CCCC[C@H]2C[C@@H]2C)C1	2247174736	HNCKJBSITQSXPW-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)CC1=CCCCC1	2247460856	GSZNWXAMQOZHIN-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](C)[C@@H](O)c1cc(C)c2sccc2c1	2248569776	TYGYBQCFHCBXJE-IINYFYTJSA-N	248.391	4.679	0	10	BJAE	
CC(C)C(C)(C)[C@H](O)CCCCC[C@H]1C[C@H]1C	2248805199	FKYPMGUXNFJCKX-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@H]1CC12CCCCC2	2250407625	XAPBOLQZEWGFDC-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@H]1CCCCN1	2250472501	DRODNMPEEQJFJH-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCCNCC[C@H](C)CCCC(C)C	2250515770	CDCLSUWYAZDPRM-SQRWCISFSA-N	239.447	4.785	0	10	BJAE	
CC(C)CCC[C@H](C)CCN(C)CC1CCC1	2250519018	LOANHXRQYWRVJM-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@]12CCCC[C@H]1CC2	2251196742	POVWHNYOXJURQF-OFQRWUPVSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@H](N)C1CC(CC(C)(C)C)C1	2251540151	YMVDHXOJNURTOV-NRXISQOPSA-N	237.431	4.523	0	10	BJAE	
CCNCC1(CC[C@@H]2CCC[C@@H](C)C2)CC=CC1	2253936556	FHLLRFBCIUOFKU-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC1=CC[C@](C)(NCC[C@H]2CCC[C@H](C)C2)CC1	2253950775	GGMXIUZDNTVRKO-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@H](CCNc2ccc(CF)cc2)C1	2253971136	UAAUGAHETXGKCF-UONOGXRCSA-N	249.373	4.784	0	10	BJAE	
CN[C@H]1CCCCC[C@@H]1CC1CC2(CCCC2)C1	2254113141	MOWHLYJNQSUZNU-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC([C@@H](N)CC2CC3(CCCC3)C2)C1	2254113413	JJSFNICCQCMAHI-BCLQGDPASA-N	249.442	4.501	0	10	BJAE	
CC(C)NCC1(C[C@@H]2CCC23CCC3)CCCC1	2254832270	XPMMLJYTSXQNIE-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC1(C(=O)CC[C@@H]2CCCC23CC3)CCCC1	2255311809	WFWVZCIMCZZZGU-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC(C)[C@@H]1CC[C@](N)(C[C@]23CCCC[C@@H]2CC3)C1	2260677712	HDKVCGFSYLVVCX-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@@H]1C(=O)c1cccc(C2CCCC2)c1	2260729093	ISBSAGBDMQOPNR-LRDDRELGSA-N	242.362	4.573	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H]2[C@@H]1C(=O)C21CCCCC1	2261385123	HDYXKQCDDWUDRD-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC=C([C@H](CCC2CC(C)C2)NC)CC1	2261491468	ZVAPHXPMXUNBLQ-INTUILBWSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)[C@](O)(c1ccccc1)C1CCCC1	2263741475	VYLRWQDWOXNGBN-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)[C@@H](C)CC1CCC1	2298917127	QGQCPYPYHZEESH-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)[C@H](C)CC1CCC1	2298917129	QGQCPYPYHZEESH-SQWLQELKSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1CC[C@H]1C	2300458945	NODGJXMNBNEZSH-IUODEOHRSA-N	231.383	4.576	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)CCC(C)(F)F	2300691187	QSFSZXKVCIWPBM-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1CC=C(C)CC	2300901511	JZJFBEGJVCWULH-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)C1(C)CCC1	2301148609	XALKIBLBQXOEOI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301250755	RWBFZBSDPIZIAM-SOUVJXGZSA-N	234.383	4.518	0	10	BJAE	
CCCC1CCC(N[C@H](C)[C@@H](C)C(C)C)CC1	2301712150	XTSPOCXITFIXKO-QRNKSROTSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)NCCCCCCC1CC1	2301720913	UPAXYNMQNMUBOF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1[C@@H](CC(=O)CC2CCCCC2)CC1(C)C	2302141004	WJUXRUCSQDOOFQ-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)[C@]2(C)C=CCCC2)C1	2302756412	SYWDOMJOMSDJBZ-CZUORRHYSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CCCCCCC2=O)C1	2302762611	DULBSBKOICIGRQ-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@]2(C(C)C)C[C@@H]12	2302886201	FXYNWVNTMUWJFI-GZBFAFLISA-N	249.423	4.547	0	10	BJAE	
CC[C@@H]1CC[C@](O)(CC[C@@H]2CCC(C)(C)C2)C1	2304399630	OKEQUFAQSFAHDC-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)CCN(C)CC[C@H]1CCC(C)(C)C1	2304434652	KMPPSATUAOXOIH-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC[C@@H]2CCC(C)(C)C2)N1	2304440713	VQBLNRYVCFUZPV-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CNCC)CC=CCC1	2307746222	CAXADPWQEGFQCL-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(O)CCCCC12CCC2	2307840888	HBLHPIMOMWWPCH-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)C1(CC)CC1	2307896103	YGONHQZYAKQGNY-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1CCCC[C@@H]1CC	2307908770	ILHBXAPTJRFNFT-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC[C@H](C)[C@H](NCC)C1	2307908860	RPNHLHWNCHBBJX-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@@]12CCCC[C@@H]1C2	2312408148	IRORFHIDRAJAAB-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H](C)CC2CCC2)c(C)c1	2313692676	QHQSXQBACWJNSH-AWEZNQCLSA-N	244.378	4.621	0	10	BJAE	
CCCc1cnn(CC=C(C)CCCC(C)C)c1	2316515435	RJOVGJRVLAEBFJ-UHFFFAOYSA-N	248.414	4.608	0	10	BJAE	
O[C@H](CC1CCCCCC1)C1CC(=C2CCC2)C1	2316863618	SOXXXOZPMCJXHJ-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
CC[C@](N)(C[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2316868801	BADBFRYNMJDMNS-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CN(CC1CCCCCC1)C[C@@]1(C)C=CCCC1	2316879304	RNUNPXNDKFBJJN-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317122404	URDLEWCHJPAZJK-HHARLNAUSA-N	249.442	4.523	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CCC[C@H]1C[C@@H]1C	2317531793	CLYRZONUMBDNGA-AAEUAGOBSA-N	245.341	4.525	0	10	BJAE	
CCc1ccc([C@H](C)N[C@@H](C)[C@H](C)C(C)C)cc1	2317663499	HEWUAJJYRJEWGZ-ILXRZTDVSA-N	247.426	4.580	0	10	BJAE	
CC(C)c1ccc(F)cc1NCCC[C@@H]1C[C@@H]1C	2317923074	POJBKNVVPSQJDX-QWHCGFSZSA-N	249.373	4.797	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)[C@H]1C[C@@H]1CC	2318592836	NAZWXLJOONVFAP-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](N)CCCC1=CCCCC1	2318595453	PRRQRPKFCWDTIF-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
N[C@H](CCCCC1CC1)C[C@@H]1C[C@H]1C1CCCC1	2318879633	RAWORYJOLIMYQZ-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC1C[C@H]2CCC[C@@H]2C1	2318937871	DPPUFTRFMZUFNT-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CCC(=O)c1ccccc1	2320243968	OROYKXGNZLEHTQ-DZGCQCFKSA-N	244.378	4.722	0	10	BJAE	
CCNCC1(C[C@@H]2CCC(C)=C(C)C2)CC(C)C1	2320335825	DHFFKLLTEYJPBQ-BLDCVEFLSA-N	249.442	4.539	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2CCC(C)=C(C)C2)CCCC1	2320416375	JTFFTHJZCUWLSU-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H](CC)[C@H](O)Cc1cccc(C(C)C)c1	2320625678	ATZRCTJTJLPHJY-DOTOQJQBSA-N	248.410	4.540	0	10	BJAE	
CC1(C)CC[C@@H](CC=C2CCC[C@H](CCN)C2)C1	2321636599	KBMXSRXZRFSCAS-HZPDHXFCSA-N	249.442	4.668	0	10	BJAE	
CC1(C)CC[C@@H](CCC2(N)CC3(CCCC3)C2)C1	2321651713	PVIPXFOTZRFXOB-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C(=O)c1cc(C)ccc1C(C)C)C(C)C	2327673906	VMVSMUBNDXUPMT-CQSZACIVSA-N	246.394	4.983	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@@]3(C)C[C@H]23)c1F	2327804598	RZGGHRBUCRWAOV-IOASZLSFSA-N	247.357	4.550	0	10	BJAE	
Cc1ccc2cc(C3CCCCC3)[nH]c2c1C	1516736	MPIMTKWHOIVPPX-UHFFFAOYSA-N	227.351	4.832	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccc(C)c(C)c2)s1	19920267	SGRDXNLITSAWIK-ZDUSSCGKSA-N	245.391	4.846	0	10	BJAE	
CCC(CC)N[C@@H]1CCC(C)(C)c2ccccc21	20525529	UUNQYIVNYZFURW-MRXNPFEDSA-N	245.410	4.577	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(F)cc1	21789613	HQYSWISGHMMJSV-KCXAZCMYSA-N	249.373	4.698	0	10	BJAE	
CCC[C@@H](C)Nc1ccccc1SC(F)F	21803710	BSNBOWWJTUJPHC-SECBINFHSA-N	245.338	4.602	0	10	BJAE	
CCCC[C@@H](NCC)c1ccc(C(C)(C)C)cc1	35548254	SNJAOVJQLNNGGH-MRXNPFEDSA-N	247.426	4.825	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccccc1C(C)(C)C	36956417	MRTGXJQORGTSPM-OLZOCXBDSA-N	233.399	4.831	0	10	BJAE	
CCCC(CCC)N[C@H](c1ccccc1)C(C)C	36967511	DCPSXDGDBSGJQM-KRWDZBQOSA-N	247.426	4.942	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1C)[C@@H](C)C(C)C	70123535	JUFOMQQYAVBICV-DOTOQJQBSA-N	247.426	4.636	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccc(SC)cc1	70977401	KBAQHFSIFCFMMY-SWLSCSKDSA-N	249.423	4.789	0	10	BJAE	
CCCC[C@H](CC)CNc1ccccc1C	71126048	BFRSNLCQNQVSFL-AWEZNQCLSA-N	219.372	4.623	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CCCC[C@@H]1CC	83825577	FEBWWHBEKRJTHL-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](c1ccccc1)C1CCC(CC)CC1	85079835	ITDSGOHXXGJGCF-PREGVCBESA-N	245.410	4.554	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H](C)c1ccc(C)cc1C	88294405	KCWNXEQIYJVGHP-RCBQFDQVSA-N	247.426	4.779	0	10	BJAE	
Cc1ccc([C@@H](C)NCC2(C)CCCC2)c(C)c1	104442318	ICKGHPRZFUIDLU-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1CCCCC1)c1ccccc1	109947008	BXJUYBTWKURVEA-WMLDXEAASA-N	245.410	4.696	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](O)c1ccccc1	109994260	BEJSMEPNYRNEPI-HOCLYGCPSA-N	234.383	4.717	0	10	BJAE	
CC(C)c1ccc([C@H](O)C(C)C)c(C(C)C)c1	110463230	BPXIAVDYIUKWCF-MRXNPFEDSA-N	234.383	4.623	0	10	BJAE	
CCC(CC)(c1ccccc1)[C@@H](O)CCC(C)C	111235667	BSRGJVXCLGQJAL-INIZCTEOSA-N	248.410	4.542	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@@H](C)CCC(C)(C)C	128637086	OWLZJOXADDXWKV-GOEBONIOSA-N	247.426	4.800	0	10	BJAE	
CCCC[C@@H](O)c1c(CC)cc(CC)cc1CC	148028685	BQBUEWWZAFTRIX-MRXNPFEDSA-N	248.410	4.597	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CC1CCCCC1	203291146	BZTLKYLRISTCBK-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](F)C1(c2ccccc2Cl)CCCCC1	220783033	REWRCDCHLDRXSA-LLVKDONJSA-N	240.749	4.900	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCC[C@@H](CC)CC1	226511643	ROGVCQVPAMZASM-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](NCC)c1cccc(C)c1	229299961	YGJQQBISQAJQBS-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CC(C)CCCCN[C@H]1CCC[C@@H](C(C)C)C1	230996456	CTGWAJPHIUZAEI-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)[C@@H]2CC2(C)C)cc1	232835153	YUQUEMSXPUGWIU-AWEZNQCLSA-N	244.378	4.603	0	10	BJAE	
CCCCC1CCC([C@@H](O)[C@@H](C)CCC)CC1	232928149	IRTQGHONFDLYIP-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC2(C)C)c1Cl	300873298	LHHUAHGSISFCRV-LBPRGKRZSA-N	237.774	4.639	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1ccccc1C1CCC1	302346458	MOUJOUROZTVXQY-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)cc1	302694896	UHOHSPVKKKRLBY-USXIJHARSA-N	243.394	4.630	0	10	BJAE	
CCc1cc2cc(SC)cc(Cl)c2s1	306917381	ZBMUMNCMMNGUIC-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Cc1cc(C(F)F)c2c(Cl)csc2c1	306933300	CTKYVWPGZKSKBI-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCCCCC[C@@H](C)NCc1ccsc1C	309374861	FUBKWHQANJQXRF-GFCCVEGCSA-N	239.428	4.505	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@@H]2CCC[C@H](C)C2)c1	310958097	GGIFWIYUUPNQLU-SWLSCSKDSA-N	244.378	4.703	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@]2(C3CC3)CCCCCN2)C1	310985131	KIFLCDPUDBGZBC-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](Nc1ccccc1C)C1CCCC1	313405344	KFVJDFFORAFTCI-MRXNPFEDSA-N	231.383	4.766	0	10	BJAE	
CCN[C@@H](CC/C=C/c1ccccc1)C(C)(C)C	324331758	WLMVVBTUTYYXRV-WQMJKPAKSA-N	245.410	4.504	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)C(C)(C)C(C)(C)C	380137184	PLZKVLPYAOIWQH-ZDUSSCGKSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)CC1CCC(C)(C)CC1	383455251	HZHKBZJWFJAPSP-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CC(C)c1ccc([C@H](N)C(C(C)C)C(C)C)cc1	385404217	OKATZSCZXWXOEK-KRWDZBQOSA-N	247.426	4.738	0	10	BJAE	
C[C@@H]1CC[C@@H]2[C@H](C1)C(C)(C)CCC2(C)C	389490828	BWPHCHITVFALRH-UPJWGTAASA-N	208.389	4.885	0	10	BJAE	
CCCC[C@@H](CC)NCC1(CCC)CCC1	391847451	PXTMZFAIBYPHPK-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC1(C)C(N[C@@H]2CCCCC23CCCC3)C1(C)C	394109305	HIJYNNSPCNNXGS-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
Cc1cc2c(S)c(C(F)(F)F)ccc2s1	396296720	GTWLURWIABAHLC-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCc1cc(C)c2c(C(F)(F)F)csc2c1	396313154	ZSWGMDLGHBUARJ-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)[C@@H]1CC1(C)C	397618773	RDZXNDFSFUEWRG-OCCSQVGLSA-N	231.383	4.657	0	10	BJAE	
CCNC[C@H]1CCC(C)(C)C[C@@H]1CC1=CCCC1	400602488	CYTSLZRIUVZABY-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C[C@@H]1CC=CCC1	402196469	BXPQOZPAFXGXOP-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC(C)(C)c1ccccc1	686655303	RXHVZYIAHCNXDI-HNNXBMFYSA-N	248.410	4.542	0	10	BJAE	
CCc1ccc(CC)c(N[C@H](C)CC(C)C)c1	689593693	BNZWPNRRQGZBQZ-CYBMUJFWSA-N	233.399	4.658	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)CC1CCCC1	689763450	LIRGZSGRLZZAEY-UONOGXRCSA-N	225.420	4.514	0	10	BJAE	
C[C@@H](CC1CCCC1)NC(C)(C)CC(C)(C)C	689831476	MMPUEHFEEQAXFV-ZDUSSCGKSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(O)CCCC(C)(C)C	691133195	HWECGEDOIFJETF-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)CC1CC=CC1	692108665	WMIQXSDDNGMZDA-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(F)ccc1CC1CCCCC1	694942898	WXXSXUQBTTUXLN-UHFFFAOYSA-N	220.331	4.511	0	10	BJAE	
Cc1cc(N[C@@H]2CCCC[C@H]2C2CC2)ccc1F	696108165	YPBFZQFBELQIMT-GOEBONIOSA-N	247.357	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1NC1CC2(CCC2)C1	697674568	WUIQDAKRLPWMPS-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CC(C)=CCCNc1cccc(C2CCC2)c1	697772413	ZDOXMAIADRCZRB-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(CCCC(F)F)CC1	699922496	IEEWWQRCGFKOBJ-OCCSQVGLSA-N	248.357	4.533	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1CCC(C)CC1	704893129	OJCFFPPDLMJTTE-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCCC12CC2	707156488	LFGCKGGYKHDJGU-HNNXBMFYSA-N	229.367	4.555	0	10	BJAE	
C[C@@H](C[C@@H](C)C[C@@H]1CCCCN1)CC(C)(C)C	709097380	QSBMZABWICQYHH-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCc1ccc(OC[C@H](C)CC(C)(C)C)cc1	709103532	AQPAYGLCKJGYPT-CYBMUJFWSA-N	234.383	4.700	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)[C@@]12CCCC[C@H]1C2	709135590	VLCHYPISQGHQEW-WWGRRREGSA-N	247.357	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC/C=C/c1ccccc1	710017636	LZVKULKXLJLUMG-GLNPCMGASA-N	245.410	4.504	0	10	BJAE	
CCCN[C@H](C[C@H](C)C(C)(C)C)CC1(C)CC1	711214909	DSMYSSVMXKMNQE-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC1CCC(N[C@H](C2CCCC2)C2CCC2)CC1	711829780	AGZRTXNUPFZEML-QWFMPGPPSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CC(C)(C)CC[C@@H]1C	713051583	UWMLSDSFHDSUEE-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1c(C)oc2ccccc12	713171041	VFSFGGYHKQVPCY-CYBMUJFWSA-N	246.350	4.601	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)CC(C)(C)C(C)C)CC1	713249159	JBEOMJUGPPTGSL-KKUMJFAQSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@H](C)CC	718571679	JCHCWHDGYXAHMT-UKRRQHHQSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CCC1(CNC2CC2)CCCCC1	718773463	PUNYHDAVZDXEHK-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC(C)N(C[C@@H]1CCCC[C@@H]1C)c1ccccc1	1473229678	FHGZQKOQDBBQIX-HOTGVXAUSA-N	245.410	4.728	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)C[C@H](C)C(C)(C)C	1645303133	HJILLNIMORFEMG-RRFJBIMHSA-N	239.447	4.569	0	10	BJAE	
C1=C[C@H]2CC[C@@H]1C[C@H]2CSCC1CCCC1	1652256519	QEMYVEDDODFCHZ-SNPRPXQTSA-N	236.424	4.512	0	10	BJAE	
CC(C)C[C@@H](C)CN1CC[C@H](C)c2ccccc21	1653692852	HXLHAQBGQAVQCB-CABCVRRESA-N	245.410	4.682	0	10	BJAE	
FC(F)c1ccc2ccc(C(F)(F)F)cc2c1	1848365914	KAZMEWQJUFGFOS-UHFFFAOYSA-N	246.178	4.796	0	10	BJAE	
CC(C)=C(C)CN(Cc1ccccc1)C(C)(C)C	1880370496	ZGQMCGAPTNMQJZ-UHFFFAOYSA-N	245.410	4.643	0	10	BJAE	
CCCC[C@@](CC)(CN)C[C@@H](CC)CCC	1905453457	JSDWRDVVNLYXPE-LSDHHAIUSA-N	227.436	4.748	0	10	BJAE	
CC(C)=CCc1c(C)ccc(C(C)(C)C)c1O	1906987406	QAMSFCAAUQNALZ-UHFFFAOYSA-N	232.367	4.507	0	10	BJAE	
CC[C@](N)(CCC[C@@H]1C[C@H]1C)C1CCCCC1	1908557195	ZULDDEUTSAIPPX-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](O)(CC)c1cccc2sccc12	1919493482	PFYREAURDHBRML-HNNXBMFYSA-N	248.391	4.689	0	10	BJAE	
CC(C)(C)NC[C@@]1(CC2CC2)CCCC12CCC2	1921606219	QTGIDSBHMVRCHS-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC(C(=O)[C@@H]2CCCC23CCC3)C[C@H](C)C1	1921610827	PRAUYLPSJSHSNR-NFAWXSAZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C[C@@](C)(CN)C1CCCCC1)C(C)(C)C	1924126139	JMXJSYYQWQZJOE-BBRMVZONSA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)c1cscc1Cl	1927981354	YVFFUCAIKCATGT-SKDRFNHKSA-N	246.803	4.507	0	10	BJAE	
CCC(C)(CC)CNCC(CC)(CC)CC	1936264309	LKNNMBHMYVMRIR-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)c1cscc1C	1938831239	VPUHPTCTTSSYIX-GXTWGEPZSA-N	239.428	4.519	0	10	BJAE	
CC[C@@H](C[C@@H](N)c1cc(C)cs1)C(C)(C)C	1939454348	WKKMAMAFVRQEQE-NWDGAFQWSA-N	239.428	4.519	0	10	BJAE	
CCCCCC[C@@]1(CNCC)CC=CC[C@@H]1C	1940953822	KJUCBWMZZJCEAM-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CCCC(C)C)NCC	1941262233	BALWMHGOVSTQMJ-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCC1(C[C@@H](N)[C@@H](CC(C)C)C(C)C)CCC1	1941267236	PKEAVOCTWCPFEC-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@H](CC)C(C)C	1941273451	SCFPXIRVSFVYFZ-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)c1ccc(NCC[Si](C)(C)C)cc1	1941331654	KPZAUMZHIPFUJZ-UHFFFAOYSA-N	249.474	4.734	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CC2CCC=CCC2)C1	1941792868	KHWCAZMHUCJLEE-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)C(C)(C)C1CCCCC1	1944619253	VQZXCOZXAWACFU-HIFRSBDPSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](CC(C)C)C1CCCCCCCCC1	1947878687	KNTZDDQRPYYPQE-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C[C@@H](N)C1(C)CCCCCC1)C(C)(C)C	1949042994	JPAWCJOUFSZKFS-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@@H]1CCC(C)(C)C1	1949398405	FZXWLXWHWVQNCB-CQSZACIVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC[C@@H]1CCC2(CCCC2)C1)NC	1949552521	RUCPTPHXFXDLEG-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C1(CC)CCC1	1951237862	FCAUXEHKZIGGMK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1(C)CCC(NC2CC(C)(CC)C2)CC1	1967857514	GNKZVVFVUZVGNG-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)c1ccc(NCC2CC3(CC3)C2)cc1	1968275582	MSENOOZXSCHXBQ-UHFFFAOYSA-N	243.394	4.586	0	10	BJAE	
Cc1cc(N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)ccc1F	1968591468	JLMYPLBOKWIDNV-LRQBHLAOSA-N	249.373	4.617	0	10	BJAE	
CCCC1(CN[C@@H]2CCCC3(CCC3)C2)CCC1	1971568498	UDLUNLGLOWKOHI-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCC(C)(C)CNc1nccc2sccc12	1973163421	DPGQTAALGLGZOO-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1CCC[C@@H](C(C)C)C1	1973163580	GSTHWQJWKPJAPO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCNc1ccc(C2(C)CC2)cc1	1973403755	MMCWOXQIEDFEAA-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1C=CCCCC1	1978433381	LYEIKLUTVVHHNQ-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)C(CC)(CC)CC	1978523145	DVPTURXJIZLXRP-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CCCC1(CO)CCCCCC1	1978738914	UYEODHFENHVNPI-UHFFFAOYSA-N	226.404	4.536	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](O)c1cccs1	1980696748	SBIFOFSEIKZKBV-CHWSQXEVSA-N	240.412	4.778	0	10	BJAE	
CC=CCCCC(=O)CCC1CCCCC1	1984578156	HMFQWUYGRKHFAX-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
C/C=C/CCCn1ccc2ccc(Cl)cc21	1984592412	BVUWKVLYFVOBNS-NSCUHMNNSA-N	233.742	4.651	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@H](C)C(C)C	1988301661	WXTUIXOPANDXKU-KBPBESRZSA-N	226.404	4.700	0	10	BJAE	
CCCC1CCC(CCC[C@@H](N)CC)CC1	1989816554	MJVLXSQGBNUWQF-NRXISQOPSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](C)C(=O)CC)CC1	1989836472	GDGANUMFXAWEBS-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)c1cscc1F	1995258558	FPJJCKHORMMZMH-MFKMUULPSA-N	244.375	4.527	0	10	BJAE	
CCCN[C@@H](C(C)C)[C@@H](C)C1(C)CCCCC1	1995975819	RFPWZHBRCWRSFY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1CCC([C@@H](C)N[C@@H](C)CC(C)(C)C)CC1	1996548672	SDQSTUANAVJUDX-RAFNIBEQSA-N	239.447	4.616	0	10	BJAE	
C[C@H](Nc1ccccc1SC1CC1)C1(C)CC1	1996550764	XDZVZVVQUMAZNA-NSHDSACASA-N	247.407	4.542	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(N)CCCC2(CCC2)C1	1997038668	DLFAXCFOQZYSIC-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]([C@H]1CCC[C@H](CC)CC1)C(C)(C)C	1997104129	IYQXQFQBLOSKLT-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1CC1(O)CCCCCCCCC1	1998558118	VRSKGQXKMRWOBU-FICVDOATSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@@H]1CCCC(C)(C)C1	2000044344	IIEXLXIJSOILQO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CCC(C)(C)C(=O)C2)C1	2000115125	BOGUYXWLRYPPTR-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@@H]1CC[C@H](C)C1)NC	2000324613	UVCKZUMTNGWKDK-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1C(C)=CCC[C@@H]1C	2000385108	OEYYZDLVTMHTQN-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@H]1C[C@H]1CC	2000504953	MNSMBJMHVTZUQR-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CCC1CCC1)CNCC(C)C	2000518123	KZBCLZGKYAUDEN-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCCCCCC[C@H]1N	2003117384	NOVRKDSYKRNWSQ-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)[C@]1(C)C=CCC1	2003319987	DPABGYKPCAFRKI-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCC[C@@H]3CC[C@H]32)c1	2004797670	PYHQIEMXPUHTFN-YRGRVCCFSA-N	249.785	4.639	0	10	BJAE	
CC(C)(C)CC[C@H](N)[C@@H]1CCCCC12CCC2	2005592905	WRJRJRWETGTWMY-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@H](C(C)(CC)CC)C1	2006624358	PRXNMBXQEGZWDH-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)[C@@H](NCCCCCC(C)C)CCC1	2006922462	KNDYLSXTQTXOHZ-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](CCC=C(C)C)[C@H]1C	2006978803	AVIUYYLYMAXESS-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)C1(C)CCC2(CC2)CC1	2007691560	MUZKNPLQSKMFEZ-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC1CC(C[C@@H](O)C[C@@H](C)CC(C)(C)C)C1	2007763524	LLOONIKZDIYCOW-URGYJCLVSA-N	240.431	4.636	0	10	BJAE	
CCCC(CCC)CNC1CC(CC)(CC)C1	2009323054	DGIXXPHAEQVRMQ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC=CCCCC1(N)CC(C)(C)CC(C)(C)C1	2009628335	NEBHPSVAAJVHKM-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CCCCC1CC(N(C)C[C@H](C)CC(C)C)C1	2009781246	JCGKSIFWQFSLLQ-QQFBHYJXSA-N	239.447	4.569	0	10	BJAE	
CC(C)CC(=O)CC1=CC[C@H](C(C)(C)C)CC1	2010782385	DFMLCLODKWIQRS-AWEZNQCLSA-N	236.399	4.764	0	10	BJAE	
Cc1c(Cl)cccc1OCC1CC(=C2CC2)C1	2011067444	SUUBZMSDBCFGLH-UHFFFAOYSA-N	248.753	4.528	0	10	BJAE	
CCCC[C@H](NC)c1sc2ccccc2c1C	2014290914	JJKVSQYRLHOXNI-ZDUSSCGKSA-N	247.407	4.660	0	10	BJAE	
CC(C)CCCCC[C@@](C)(N)[C@H]1CCC1(C)C	2014877693	PCIMLWBUMHFELU-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CCc1ccccc1OCC(C(C)C)C(C)C	2015382628	DISSBULDMSTHOY-UHFFFAOYSA-N	234.383	4.556	0	10	BJAE	
CC(C)C(C[C@H]1CCCCCC[C@@H]1N)C(C)C	2015411938	JOFFJTTWNVOVAY-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](O)CC1(C(C)(C)C)CCC1	2017115264	WKZPZTWRMNSHNO-AWEZNQCLSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CCC[C@H](CC2(C(C)(C)C)CCC2)N1	2017144772	WUCWEOPPUHENEC-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CCC[C@@](O)(C[C@H]2CC[C@H](C)CC2)CC1	2017651471	UQVSKTKQUAUCHI-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CCC1CCC(CC)CC1)NC	2017720133	FREVXXPTWAGURT-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@]12CCCC[C@H]1C2	2018567564	BEFVVZYHPGDWQE-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CCCCCN(C(C)C)[C@@H]1C=CCCCCC1	2019117390	IVODAFCAAZUWMX-MRXNPFEDSA-N	237.431	4.776	0	10	BJAE	
C[C@@H](C[C@](C)(O)C1(C)CCCCC1)C1CCC1	2019778193	JXGAFHYNSUHMRC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CC1)C1CCCC1	2021026095	KRDXAHMBGQJEEJ-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1C[C@@H]1C1CCC1	2022334964	QIPPWXCLZSIWKS-ARFHVFGLSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CCCCCC1CC1)[C@H]1CC[C@H](N)CC1	2023552629	XHEQJNLJODRTLI-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCC[C@H](C)C2=O)CC1	2024002776	BPFQJKCESQBIGX-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@H]2C=CCCC2)C1	2024101293	JPOXJMJXORWLHX-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@](C)(O)CCC2CC2)C1	2024121542	DXKUUHBZVYRRTN-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1CCC[C@@H]1C	2026081658	XJIRJHFRKQTSAK-SOUVJXGZSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CCCCF)NCC	2026164559	UOWHMKUQXSRUPG-HUUCEWRRSA-N	245.426	4.711	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CC2(C)CCCCC2)c1	2027310969	GJZXMPFHVTXSQS-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)c1cc(C)cc(C)c1	2027733292	WVAHJOMKCHBICP-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCN[C@@H](CCCC1(C)CC1)C12CCC(CC1)C2	2027839116	FURUSACMHKBCEH-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1cc(C)c(C)cc1C	2028242158	YHQOTRATKMDSOP-DOTOQJQBSA-N	248.410	4.718	0	10	BJAE	
CCCC[C@@H](NCC)c1ccccc1C1(C)CC1	2028561769	DCMLMDURAZCGOG-MRXNPFEDSA-N	245.410	4.579	0	10	BJAE	
Cc1ccc2c(ccn2CC2CCC=CCC2)c1	2028870430	QTXPKSAXCOTIPV-UHFFFAOYSA-N	239.362	4.696	0	10	BJAE	
CCCC[C@@](C)(O)c1ccc(C2CCCC2)cc1	2031749388	IEGZDEHSQXQPEW-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@]1(N)CC(C)(C)CC2(CC2)C1	2032509145	HWCLUGPJCWKBJG-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1N[C@@H]1CC[C@H](C)[C@@H]1C(C)C	2035415871	YXCGGRCGKKEHOV-XKQJLSEDSA-N	245.410	4.732	0	10	BJAE	
Cc1ncccc1NC1CCCCCCCCC1	2035892343	QONOXRNEVUZRLA-UHFFFAOYSA-N	246.398	4.695	0	10	BJAE	
CCCN[C@H](C1CC2(CC2)C1)C1(CC)CCCC1	2036182376	MRMLYDWRACEPTN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)c1cccc(C2CC2)c1	2036352137	KVMFFJWADLSSKO-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)[C@H]1CCC2(CCCC2)C1	2037591374	DCNFOLKXCVMLEE-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)c2cccc(C(C)(C)C)c2)C1	2037672201	LIFAUTAPRLNMFZ-GXTWGEPZSA-N	244.378	4.603	0	10	BJAE	
c1ccc2c(c1)ccn2[C@H]1CCC2(CCCC2)C1	2037678135	ISBIHONWNFPDCV-HNNXBMFYSA-N	239.362	4.927	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)[C@@H]2CCC3(CCCC3)C2)C1	2037695111	QFCDPEXUKMSRRQ-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1CC=CC1)CC1CC(C)(C)C1	2037970400	QVKMDJPUPUFANG-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCCC1(O)CC2(CCC(C)(C)CC2)C1	2038933123	BSLGHXAJRFURNM-UHFFFAOYSA-N	248.410	4.620	0	10	BJAE	
Cc1ccccc1[C@H](O)[C@H]1CCCC(C)(C)CC1	2039387196	VSLZKCCNJGNAFY-GOEBONIOSA-N	246.394	4.635	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@@H]2C(C)=CCC[C@H]2C)C1	2039437201	RSDYSGQUVJRHGW-NQNKBUKLSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)N[C@@H]1C=CCCCCC1	2041841124	DVUGLHXYYSLLJS-NVXWUHKLSA-N	249.442	4.824	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H](C)C1)[C@@H]1CC=CCC1	2042024772	OYVMYHKNCBQEGF-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@]1([C@H]2CCCC[C@H]2CC)CC=CCC1	2042086948	LRFXDJSJGJLGIA-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C[C@@]1(C(=O)C[C@H]2CC3CCC2CC3)CC=CCC1	2042090987	HJLZHFOBQYOIOL-OCUYMYNFSA-N	246.394	4.518	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	2045682199	JGLLQZSCZKPTRJ-DPZJBDQQSA-N	248.410	4.620	0	10	BJAE	
CCCc1ccccc1OC[C@H]1CC12CCCC2	2047055725	NFLDSDSRWSYJTB-OAHLLOKOSA-N	244.378	4.598	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@H]1[C@H]2CCCCC[C@H]21	2048366470	QOASAQNNJJVILN-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(CC2CCC3(CC2)CC3)C1	2049853190	JKOJUOIIXZCRAH-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc([C@H](O)C[C@@H]2CCCC(C)(C)C2)cc1	2050433103	WBJYMMWZSPRHBO-GOEBONIOSA-N	246.394	4.635	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)C1(C2CCC2)CC1	2051910294	WGKGALYRHKBFID-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]3CC[C@@H]32)CC1	2052282765	YDXSCOPEEPQOQS-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)[C@@H]2CCCCC23CC3)C1	2053361847	VBPJZDIVFAQPFY-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CNC[C@]1(C2CCCCC2)CCCCC12CCC2	2053362362	ZNZYWFLASLHBKJ-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1CCCC=C1C	2055678264	NWVYIIJRNMKMFM-IRXDYDNUSA-N	249.442	4.824	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@H]1Nc1ccc(CF)cc1	2055678883	WKWBSLOIGRQWGS-CVEARBPZSA-N	249.373	4.783	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H]1CC[C@H](CC)C1	2056877674	BTHLMBOFPMTKPC-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
N[C@]1(C=C2CCCCC2)CCCCC12CCCC2	2056920245	PHMNWFDTVUCSLX-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC1(C2CC2)CCCC1	2057604349	QIJKRHKAEFAKET-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1NC[C@H](F)C1CCCCC1	2058032028	WWQRIDOQYKSHBS-HNNXBMFYSA-N	249.373	4.634	0	10	BJAE	
C/C=C/CCC[C@H](NC)c1ccccc1CCC	2059249035	DLDRWHBBDPRMSW-YXMMZVCTSA-N	245.410	4.646	0	10	BJAE	
C=C=CCC[C@@H](NC)C1CCC(C(C)(C)C)CC1	2061567272	WWSFPIAHDNVCIR-UYSNPLJNSA-N	249.442	4.548	0	10	BJAE	
COC[C@H]1CC[C@H](CCC2CC(=C3CCC3)C2)C1	2061720995	QJGZIEDLTUFPSV-ZFWWWQNUSA-N	248.410	4.720	0	10	BJAE	
CCCC1([C@@H](N)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCC1	2063496438	JRQCHXDKFPTVLP-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@H]2C(C)=CCC[C@@H]2C)CCC1	2069278967	PRNZQNWOPYAERG-HOCLYGCPSA-N	248.410	4.908	0	10	BJAE	
CCC[C@@H](Nc1cccc2ccccc12)C(F)F	2069614952	OEUBLKAGDLMYKE-CQSZACIVSA-N	249.304	4.686	0	10	BJAE	
CC(C)(C)C1(CC(=O)CC2C[C@@H]3C[C@H]3C2)CCC1	2071922787	VXRLRICPRBLOEI-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@]1(CC2(C(C)C)CCC2)CC=CCC1	2071940147	HXNLXIYUGWSCGI-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@]23CCCC[C@H]2C3)CC1	2072795106	ANMRLVKEHXBVGP-LUKYLMHMSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)C2(CC3CC3)CCC2)CC1	2072801177	LPLONAUGYCLYSK-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)C[C@@]23CCCC[C@@H]2C3)CCCCC1	2074034480	RBBYYDQYIBQWSN-PVAVHDDUSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CC1(CC)CC1)[C@H]1CCCC2(CC2)C1	2074642315	SQHOUCZNTQQVCE-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](CC23CCC(CC2)CC3)[C@H]1N	2076395013	GRIZFIJTZGYXKW-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
NC1(C[C@@H]2C[C@H]2C2CC2)CCCCCCCCC1	2079303274	NBBOSEJAENEJQO-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C)C(C)=C[C@H]1C[C@@H]1C1CCCCC1	2079702590	RCJAYMPFDBKOOG-HYVNUMGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2079840691	DLQBSQRPXIWYLD-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CCC1(CC)[C@H](N)[C@H]2CCCC3(CCCCC3)[C@@H]21	2083274290	YIQAIFMMDISGEL-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CCC1(C[C@H]2CCCNC23CCCCC3)CCC1	2083812634	REEIUEXDWISFDJ-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](Nc2cccc(C3CC3)c2)C1	2085245083	QNDRNRLMCKQHMS-PBHICJAKSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1ccccc1CC	2086053611	MHUNVHMDQAYZJC-RHSMWYFYSA-N	247.426	4.855	0	10	BJAE	
CCCCCCc1ccc([C@@H](N)C(C)C)s1	2210520586	WTGWEPXOUUMWLV-AWEZNQCLSA-N	239.428	4.527	0	10	BJAE	
CC[C@@H](C)NC[C@@](C)(CC)CC(C)(C)CC	2212598194	TZZLFXONFBRUOL-HIFRSBDPSA-N	227.436	4.617	0	10	BJAE	
CC1(C)NCCC[C@H]1CCCCCCC1CC1	2213575919	KWGSIGHESGNVJS-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCCNCCCCCCC1CC1	2213578498	MWMXKLPRWLOTDL-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)[C@@H](C)CC(C)C	2214565621	OFMSPASLBYOKPK-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccn([C@@H]2CCCCCCCC2(F)F)c1	2214615047	IEZWFDOUDUARCR-CYBMUJFWSA-N	241.325	4.717	0	10	BJAE	
CC(C)CC1(C(=O)C[C@H]2CC[C@@H]2C)CCCC1	2215062621	MHTNSRIPBALBQD-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1(C)CC2(CCC2)C1	2215322243	RMHLWSDAFQPSBH-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@@H](O)CC1(C)CC(C)(C)C1)C(C)(C)C	2215394895	UUOFFUWLJLOMAZ-QWHCGFSZSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(CC)(CC)CNC1CCC1	2217123818	BQZLDWFSJHYWPY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CC)CCCCC12CCC2	2217131633	YHGQGAXPZFNYEI-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)NC[C@@H](CCCC(C)(C)C)C(C)C	2217151987	AKXOWNDMBPRETM-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@](O)(CC)c1ccc(CC(C)C)cc1	2218651667	YWWPRBOTVCLJGI-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
C(CCCC1CC1)CCNC1CC(CC2CC2)C1	2218730583	FVPVFHHOPCBATF-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C(=Cc1ccccc1)C[C@@H]1C[C@H]1c1ccccc1	2219078339	MJWRBWFRGPUEES-MSOLQXFVSA-N	234.342	4.894	0	10	BJAE	
O=C(CCCCC1CC1)c1cc2ccccc2o1	2220047153	WBKYSGODEUIOHL-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
C[C@@H]1CC[C@@H]1CC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2220635989	GWYDJSVUXANZTF-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC1(N)CCC2(CCCC2)CC1	2220879984	QZDRKPJAIIDDNX-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(OCC2(C)CC3(CCC3)C2)c1	2221077160	WCIJNGPOTBCAHP-UHFFFAOYSA-N	244.378	4.598	0	10	BJAE	
CN[C@@H](C1CCC(C)CC1)[C@]1(C)CC=C(C)CC1	2221621439	DNQJHIZPTLAEMQ-MHVXSEJMSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](CNC2CC2)(C[C@@H](C)C(C)C)CC1	2221658740	CIQKFEWVVCEWQQ-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCC(C)(C)CC)NC	2244786613	VPQYRUZSMPACAK-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCNCCC=C(C)CC[C@H]1CCC[C@@H](C)C1	2246700105	QXFNCFIAYNTBRS-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCCC[C@H](CC[C@@H]1CCC[C@H](C)C1)NC	2246727146	OAKRVEGBBHBBNV-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)[C@](C)(N)c1cc2ccccc2s1	2246952163	KOZWJILAVRSGKY-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@@H]1CCC12CCC2	2247426012	UCLKMIJAKQMFQL-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CCCCC[C@H]1C[C@H]1C	2248809344	RINGLTQKMCUWTI-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](C)C1CCC(C)CC1	2250382574	FBVLKXNAHQWXQM-PYBGIAKNSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@]1(O)CC[C@@H](C)CCCC(C)C	2250495279	GUCSITNZNIIMJS-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CN[C@@H](CC=C(C)C)CC[C@@H]1CCCCC12CC2	2253800348	AAZFHXRLBCBDSA-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
c1ccc2c(c1)NCC[C@H]2C[C@H]1CCC12CCC2	2254845329	HOUNJUTZORQVHA-UONOGXRCSA-N	241.378	4.556	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C[C@H]1CCC1(C)C	2255010396	RUMODZIIGJVHSU-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)[C@H]1CCCCC12CCC2	2255030036	WNTNVDQCSGHSAS-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)CC[C@@H]1CCCC12CC2	2255254986	ZWNPYSGQHKOVQG-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)C1(CC2CC2)CC1	2257248139	NLMMQKHIABRAGW-BMFZPTHFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC1C2(CCC2)C12CCC2	2259431793	XUNAWQIAIHKARE-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1ccccc1C1CCC1	2259441038	BRZUPVBRLPDFKP-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cccc(C2CCC2)c1	2259445015	SNDDESWEKVHCRY-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CCC[C@H](CC)C(=O)C1CC(c2ccccc2)C1	2259455283	RRXAUUQXJKTNEK-JEYLPNPQSA-N	244.378	4.576	0	10	BJAE	
C1CCCC(CNC[C@]23CCC[C@@H]2CC3)CCC1	2260543093	RMXRHCVJEDQYNT-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC[C@@]12CCCC[C@@H]1CC2	2260551835	WVFQYXDTMLDQJG-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
Cc1cc2ccccc2n1C[C@]12CCC[C@H]1CC2	2260580964	YDLZBPISJDCMNC-DOTOQJQBSA-N	239.362	4.530	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@@H](C)CC1CCC1	2298919137	BHTHCWXYVFDCSD-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC1CCC1)C[C@H](O)CC1CCCCC1	2298940967	ZNOJFFCYAUWOFZ-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(=CCNC1CC(C)(C)C1)CCCC(C)C	2300866097	WMBPFWRXJYVLGQ-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CCC2(CCCCC2)C1	2300906014	CSLIXKGJFWRKNF-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1C[C@H](CC2CCCCCC2)C[C@H](N)C1	2301143297	SJVSXHOMCHBSIJ-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CC1([C@H](N)CC2CCCCCC2)CCCCC1	2301148754	YOKFIEVGEZRVSR-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC(C)(CNC1CCC1)CC1CCCCCC1	2301238141	CZMZJATXHRKIOS-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C(=O)CCC[C@H]1C[C@H]2CCC[C@H]1CC2	2301242371	RRFHEOBAZOJVMZ-KKUMJFAQSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H](C)c1csc(-c2cccc(F)c2)n1	2301907996	OBCIBLUNTBNMBP-SNVBAGLBSA-N	249.354	4.709	0	10	BJAE	
CC(C)=C(F)CNc1cc(F)ccc1C(C)C	2301909828	ICNJQHHABRGGNO-UHFFFAOYSA-N	239.309	4.624	0	10	BJAE	
CCN(c1cccc(C)c1)[C@@H](C)[C@H](C)C(C)C	2301968781	UAMTZFCIPXOBFV-CABCVRRESA-N	233.399	4.502	0	10	BJAE	
CC(C)C(CCC[C@]1(C)CCCCN1)C(C)C	2302541599	CFFDXHMMFHOXHP-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)N(CC)C[C@@H]1CC[C@@H]1C(C)(C)C	2303504406	VJMGOAJMQWHYHI-ZFWWWQNUSA-N	239.447	4.569	0	10	BJAE	
CCCCCC[C@H](N)CC[C@@H]1CCC(C)(C)C1	2304433894	AQQKSQRQAMGAOG-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)CCCC2CC2)C1	2304434381	DDHJODDEUQJJLC-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCC1(c2nc([C@@H]3CC34CCC4)cs2)CC1	2304500857	VBZSHDHZAURFRK-NSHDSACASA-N	247.407	4.632	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NCC)C1(C)CC=CC1	2307816159	BGWCWOBSFDRHKX-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)C1(C)CCCCC1	2307839448	YSQHBTZYMLNKTG-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](CC)CN(CCC)C1CCCCC1	2307891174	AQZCBVLNHKORQE-OAHLLOKOSA-N	239.447	4.857	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2310192479	ZYQMXAUABGCOKO-DDBRGHBOSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CC[C@@]23CCC[C@@H]2C3)CC1	2310373702	FNSQVDLNXAOICA-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@]12CCCC[C@@H]1C2	2311746309	RVJURSAFFQFIOF-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCCCCCC1CC1)C[C@H]1CC[C@@H]2C[C@H]12	2312333502	NSXMSBDIXCHAQI-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)CCC(=O)c1ccc(C2CC2)cc1	2316268882	NVTGXMJMZSHLEQ-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CCC(CC)CC[C@](C)(N)c1ccc(C)cc1C	2316277139	GZGDKFGCPKZMHR-KRWDZBQOSA-N	247.426	4.694	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H]1CC(C)(C)[C@@H]1C	2318179711	RYTSGISYFOFJMI-FVQBIDKESA-N	249.442	4.537	0	10	BJAE	
CN[C@@H]1CCC[C@H](CCCC2=CCCCC2)[C@@H]1C	2318583299	NMFCNKJYZFTESG-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1(CC(=O)CC[C@H]2CC[C@@H]2C2CC2)CCCC1	2319699852	MCJWVSHJSWCCNH-GOEBONIOSA-N	248.410	4.742	0	10	BJAE	
CC1(NCC[C@H]2CC[C@@H]2C2CC2)CCCCCC1	2319735652	YOXZHWPRVUMDAY-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)CCC2CC(C)C2)CC1	2320389370	ZROCOFLEJRZKNX-PFWSDMIYSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CC(C)(C)CCNC2CC2)CC1	2320391960	YZVLOXRERKWENF-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@@]1(C2CC(C)(C)C2)CCC(C)=C(C)C1	2320396218	HRVMPFYMDRZRER-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)C2(CC(C)C)CC2)CC1	2320408662	MPVKMNAGYQFFLS-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)=C(C)C1)[C@@H]1CC[C@@H]1C	2320409212	RYWHIKGMLKWDHN-RKTXRCNFSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)cc(NCCC[C@@H]2CC2(C)C)c1	2321076223	BPMXNLGHHCNKDG-CYBMUJFWSA-N	249.373	4.626	0	10	BJAE	
CC(C)CC12CC(C[C@H](N)C3CCCCC3)(C1)C2	2321651343	OKKRPNMSQMXHHK-GTPINHCMSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](NCC)c1ccc(CC(C)C)cc1	35510527	PRBXGRYYHKNBPB-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)c1ccc(C)c(C)c1	36792204	YJLLRPDLIGEBCV-CVEARBPZSA-N	247.426	4.923	0	10	BJAE	
CC(C)CCC(=O)c1ccc(CC(C)C)cc1	36941268	FQEUDCRMMYQZQD-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
CCc1ccc(C(=O)[C@@H]2CCC[C@@H](CC)C2)cc1	71154554	WVTMUGPECNHXNM-GDBMZVCRSA-N	244.378	4.648	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](CC)C[C@@H](C)CC	82631374	BXIUKLRFCDDZFX-YDHLFZDLSA-N	227.436	4.616	0	10	BJAE	
CCCCC[C@]1(O)CCC[C@@H](CCC)CC1	83520679	OJRGJQCREZQQBT-CABCVRRESA-N	226.404	4.678	0	10	BJAE	
C[C@H]1CCC[C@H](CNc2ccc(Cl)cc2)C1	84340463	UUCJPEIOBWQYJJ-RYUDHWBXSA-N	237.774	4.578	0	10	BJAE	
CCCC[C@H](CC)C/C(C)=C/CCNC(C)C	93675299	CVZVLPFZFNEQSA-KMPOOHAWSA-N	239.447	4.927	0	10	BJAE	
CCc1ccc([C@@H](CC)N[C@H](CC)C(C)C)cc1	103973009	OJSKUKUUAIIAJO-IAGOWNOFSA-N	247.426	4.724	0	10	BJAE	
CC[C@H](C)c1ccc(-c2ccc(C)c(N)c2)cc1	109774232	VPJZNPKLWFQBJF-LBPRGKRZSA-N	239.362	4.758	0	10	BJAE	
CCCC[C@H](C)Nc1cccc(OCC(C)C)c1	109905376	HCXAWUJDOKNBCK-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(OCC)cc1	110154388	RVCKECNTXLVLAP-CQSZACIVSA-N	249.398	4.714	0	10	BJAE	
CCC(C)(C)c1ccc2c(c1)[C@H](NC)CC[C@@H]2C	136934024	TYRBDXUPEGJORX-BLLLJJGKSA-N	245.410	4.532	0	10	BJAE	
O[C@@H](CCC1CCCCC1)C1CCCCCC1	157253265	ADSURMIJIWSNHI-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(-c2c(F)cccc2Cl)c(F)c1	160404673	ACYWREMLXCKSIN-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CCCc1ccccc1	163216008	ZJZCUOFZWKYVPZ-IAGOWNOFSA-N	247.426	4.553	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(CC)CCCCCN1	218177575	JGAVETOQMZXJJF-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC(CC[C@@H](O)c2ccccc2)C[C@H](C)C1	220388875	ZHKXURJWTYCJOV-CKEIUWERSA-N	246.394	4.573	0	10	BJAE	
CSc1ccccc1N[C@H]1CCC[C@H](C)[C@@H]1C	221823945	VFXDFQJZRYTWSN-AVGNSLFASA-N	249.423	4.645	0	10	BJAE	
CC[C@H](C)C[C@H](CC)Nc1c(C)cccc1F	224936922	XKBGLPLGSSKYSU-AAEUAGOBSA-N	237.362	4.761	0	10	BJAE	
CCN[C@H](C1=CCCCC1)[C@@H]1CCCCC1(C)C	226563749	OODSGFRDHLCEHN-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@]1(N)CCCC[C@@H]1CC	227022440	CPCXZMPUZSOOCK-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](c1ccc([C@@H](C)CC)cc1)[C@H]1C[C@@H]1C	227088938	YAICRLFAOSIYCQ-MGBSGCIJSA-N	245.410	4.507	0	10	BJAE	
CCCCC[C@@H](C)NCCCCc1ccccc1	228437807	UAVJCWTZBRFBQM-MRXNPFEDSA-N	247.426	4.568	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC[C@@H]2CC2(C)C)cc1	232746036	XEDFTQNPEAEPIB-BBRMVZONSA-N	245.410	4.507	0	10	BJAE	
CCCCCCC(=O)c1c(C)cc(F)cc1C	232915156	HZXARNILIXSVOQ-UHFFFAOYSA-N	236.330	4.596	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@@H]2C[C@H]2C)c(C(C)C)c1	251735825	COWIBGGUJLBBGL-JLZZUVOBSA-N	245.410	4.589	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)CCCC(C)C	251934657	ZPPHJXLXHISXNP-OAGGEKHMSA-N	239.447	4.760	0	10	BJAE	
CC1=C[C@]2(C)CCC[C@]23[C@@H](C)CC[C@]13C	254567055	SAOJPWFHRMUCFN-MHEUCROKSA-N	204.357	4.559	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)C1=CCCCCCC1	300128126	BGYAWGCKZMNEPE-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CNC[C@@H](CCCC(C)(C)C)c1cccc(C)c1	302368970	YUCBIOBCCFGHNV-MRXNPFEDSA-N	247.426	4.514	0	10	BJAE	
CCCN[C@@H](C)[C@H](CCC1CCCC1)C(C)C	305899305	ZXHHOEYHQMACDU-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1ccc(CC(C)C)cc1	305975911	HGSAMBHTIZRGQJ-RHSMWYFYSA-N	247.426	4.711	0	10	BJAE	
CCc1ccc2c(CC)c(Cl)sc2c1	306920283	LTXPQXPQJGPLJC-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CC(C)NC[C@@H]1CCC[C@@H]1CCCC(C)(C)C	309995792	WEXOPUYETHHKRN-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H](C[C@@]1(N)CCC(C)(C)C1)C1CCCCC1	310339664	NSLGXMKXDHNBQC-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(O)CC1(C)CCCC1	310415732	PNNZCUKGTIERGM-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC1(CC(=O)c2ccc(C(C)(C)C)cc2)CCC1	310874949	UYITXXRVBCYXHD-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCC(C)(C)c1csc(C2(C)CCCC2)n1	312954428	GBOMTKAIALIPNP-UHFFFAOYSA-N	237.412	4.662	0	10	BJAE	
CCC[C@](O)(C1CCCC1)C1CCC(C)CC1	313482042	YSCKRFLXVPFMFO-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CNC2CC2)(CC2CC2)CC1	318990047	RPUNDFDJGHZNMN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](NCC(C)(C)C(C)(C)C)C1	379968641	GJUIALKWQMXSQW-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C)C[C@H](C)C[C@@H](C)C1CCCCC1	380036281	QNXUVADRRIKJPN-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2CCC1CCCC1	383123099	JJHZPRYJOIVYSZ-AWEZNQCLSA-N	229.367	4.556	0	10	BJAE	
CC(C)CCCCC[C@H](O)CCC1CCCC1	383124518	CBJZJQYKFMQLBR-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H](C)C1)C(C)(C)C	383524946	PBOZTEYLTFBTEM-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H]1CCCCC1(C)C	384110603	DIQWVCFDUYVYOL-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
C/C=C/CNC(CCCCC)CCCCC	384803948	YYGLBHFZVCINRV-RMKNXTFCSA-N	225.420	4.681	0	10	BJAE	
CC[C@@H](N[C@@H](C)CC(C)(C)C)C1CCCCC1	385202988	RACNNZCDVBXYJD-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
C1CCCC([C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1	386039282	SJGGWOSORQIAEW-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]1Nc1cccc2ccsc12	386238749	OGBOSHJZEGHNDT-CYBMUJFWSA-N	245.391	4.892	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cccc2ccsc12	386268769	YOOOJPUHJNFWKK-DGCLKSJQSA-N	245.391	4.892	0	10	BJAE	
CC[C@H]1CCC[C@H]1Nc1cccc2ccsc12	386268770	YOOOJPUHJNFWKK-WCQYABFASA-N	245.391	4.892	0	10	BJAE	
CC[C@H](N[C@@H]1CC12CCCCC2)c1ccsc1	386981992	CBOVUPRJEHEOGI-UONOGXRCSA-N	249.423	4.512	0	10	BJAE	
Cc1c(-c2cccs2)[nH]c2c(Cl)cccc12	390250429	STTXVYGHCFAITH-UHFFFAOYSA-N	247.750	4.858	0	10	BJAE	
CCCC1(CN[C@H](C)c2ccccc2C)CCC1	391786704	SZLNDKGSYOBBBQ-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
CCCC1(CNCC2(C)CCCCCC2)CC1	394683364	ZKCXUFKWCDVLJG-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCc1cc(C)c(C(F)F)c2sccc12	396218867	HQRSFOWQNOIAMQ-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCOc1cc(C)c2c(C(F)F)csc2c1	396243805	NYFMHZRSLZZGOY-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
Cc1csc2c(S)ccc(C(F)(F)F)c12	396295548	GDKOAHBZBYGSMK-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)c1csc(C)c1C	399898340	RHMWEWNRPLJLIS-HNNXBMFYSA-N	249.423	4.516	0	10	BJAE	
CCCC1CCC(C(=O)C[C@H]2CC=CCC2)CC1	402194266	FKIFFCBXJJPKAX-PCKAHOCUSA-N	248.410	4.908	0	10	BJAE	
Cc1cccc([C@H](C)Sc2cccs2)c1	463258512	CATFFFQUSOMBQZ-NSHDSACASA-N	234.389	4.910	0	10	BJAE	
CC[C@H](N[C@@H]1CCC12CCCC2)c1cccs1	474027666	BPGRCHXWBOVZID-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
C[C@H](c1ccccc1)N1[C@H]2CC[C@H]1c1ccccc12	569293854	XVYRDGBCNLQSPR-BVGQSLNGSA-N	249.357	4.639	0	10	BJAE	
C/C(=C/Br)c1cccc2ccccc12	606291706	SSMVQLCOPLOIMP-KTKRTIGZSA-N	247.135	4.596	0	10	BJAE	
CCCC1([C@@H](O)CCCC(C)(C)C)CCC1	686924428	LETYYXXYINXSRM-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCCCC[C@@H]1C	691076803	FTDRHARDBPWZQR-SMDDNHRTSA-N	235.346	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H](C)c1ccc(C)c(C)c1	695096948	FFFLKNSMUHQBQK-LSDHHAIUSA-N	247.426	4.779	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1ccccc1C1CCC1	696559002	FTCSQNVVXIDHPU-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)c1c(C)cccc1C	696593402	LUVOXZATEIAVOI-OAHLLOKOSA-N	247.426	4.780	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)c1c(C)cccc1C	696662547	XTAGATRWFTXQSV-CQSZACIVSA-N	233.399	4.520	0	10	BJAE	
CC(C)=CCC[C@@]1(O)CCC[C@H](CC(C)C)C1	697598053	HTQUGHRCWHFRRZ-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC(C)=CCC[C@@H](N)C[C@H](C)CC(C)(C)C	697778042	SRLNYFGKLDNVBK-UONOGXRCSA-N	225.420	4.523	0	10	BJAE	
CCCc1cccc([C@@](C)(N)CCC(C)(C)C)c1	704862595	OHDAESKNVXEQJE-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@]2(N)CCC23CCCCC3)C1	705263486	BJLCPHIQVPKFTG-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@](CC)(CO)C[C@@H](C)C(C)(C)C	710745236	LURNAUKFXWOVGB-HIFRSBDPSA-N	228.420	4.638	0	10	BJAE	
CC[C@H](C[C@@H](NC)c1ccccc1C)C(C)(C)C	711097409	SJBRLTMEAPSUHC-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
CC(C)CNCCC(C)(C)C[C@@H](C)C(C)(C)C	711128159	NWNZPULEWIAVRN-CQSZACIVSA-N	241.463	4.721	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(CC(C)(C)C(C)C)C1	713144877	DAFPQJHUGQNPCR-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)CC(C)(C)CC	713159971	LILDWXGOCGAYGT-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@H]32)C1	714309523	CAIIMQYAIAIBGP-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CC1(CN)CCC=CCC1)C1CCCCC1	718044697	HUZAROARGFWDPI-HNNXBMFYSA-N	249.442	4.668	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)CCC(C)=C(C)C	718637166	KHTPHSICTDSPOS-CABCVRRESA-N	226.404	4.556	0	10	BJAE	
CCNCC1(CCC(C)=C(C)C)CCCCC1	718746598	GKPRXMRIFUFTGK-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@@H](C)c1ccco1	720945863	WEFCCBFFSHECBU-DZGCQCFKSA-N	249.398	4.679	0	10	BJAE	
C[C@H]1C[C@H](CC2CC(C)(C)C2)Nc2ccccc21	723545189	YUFWGSGBZNEIKM-GXTWGEPZSA-N	243.394	4.801	0	10	BJAE	
C[C@@H](CSc1ccc2c(c1)CCC2)C(C)(C)C	1307283157	BHJJOJABJCWUAS-LBPRGKRZSA-N	248.435	4.950	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CCC(CC)CC	1900697957	RYQTVSXGBCLQME-CQSZACIVSA-N	226.404	4.988	0	10	BJAE	
CCC[C@H](C(=O)[C@@H](C)[C@H](C)C(C)C)C(C)C	1901721435	SUQNDOXXTHEORS-RDBSUJKOSA-N	226.404	4.556	0	10	BJAE	
CCc1cscc1N[C@@H](C)C1(C)CCCC1	1902377336	SPLZKBJGESASLG-NSHDSACASA-N	237.412	4.691	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1cscc1CC	1902381250	LBZNQIWQIOFNRD-OLZOCXBDSA-N	237.412	4.691	0	10	BJAE	
CCc1cscc1N[C@@H]1CCC[C@@H]1C(C)C	1902381285	LNDWNPAUZNFLLW-CHWSQXEVSA-N	237.412	4.547	0	10	BJAE	
CCC[C@H](O)CC[C@@H]1C[C@H]1C1CCCCCC1	1910765370	DLOFYASHPRMZOL-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC1(CC)[C@H]2CCCCCCCC[C@H]2[C@H]1N	1911317829	UIUKWXAZAGJUHM-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCCNCCC=Cc1ccccc1	1911905046	OKQXJMVZUZRDFY-UHFFFAOYSA-N	245.410	4.506	0	10	BJAE	
C=CC=CCCN[C@@H](CC)c1cccc(Cl)c1	1911926877	YZQHNMLUMIGXIM-HNNXBMFYSA-N	249.785	4.513	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCC2(CCCC2)C1	1916416236	XSXWJHMZCOPSEN-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCCCC[C@](C)(O)CCC(F)(F)CC	1919937317	JUJUIRRLFNCPJX-LBPRGKRZSA-N	236.346	4.533	0	10	BJAE	
CC[C@H](C[C@@H](N)CC[C@H]1CC1(C)C)C(C)(C)C	1921578034	IUHLRRUTEFHEDG-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](O)CCCCCC1CC1	1923887825	ARNBBDOKHZIZOU-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CC1CC(C)C1	1925120630	UPQZLNYBAOKHMF-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1C=CCCCC1)C1CCCCC1	1925738732	XOGHFXRZMAUDOP-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
C1=C[C@@H](Cc2cccc3cnsc23)CCCC1	1925855053	SDIMBPXSTAGHKO-GFCCVEGCSA-N	243.375	4.585	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](CC(CC)CC)NCC	1941262543	GJLLVRWXYBWFAN-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CC(C)N[C@H](C)[C@H](C)CC1CCC(C)(C)CC1	1941690994	WKQUUWNAKAOMMY-ZIAGYGMSSA-N	239.447	4.616	0	10	BJAE	
CC(C)CCCCCCNC[C@H]1CCC[C@@H]1C	1944845885	LCRSPOLGQPHDMX-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@H](NC(C)(C)C2CCCCC2)C1	1945382496	OVSJHQLSIRLPDB-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CCC1(C)C)C(C)(C)C	1945748714	MZRVJLSUWBDAFI-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccc(F)cc1C	1947455864	CUTJDPWDXXEIJO-DOMZBBRYSA-N	235.346	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H](C)CC1	1947466929	KEIUTYMYTVUYNS-FPCVCCKLSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1C[C@@H]1NC1CCCCCCCCC1	1947879513	CCAGMXQUEXOSBN-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
CC1(C)C[C@H]1CC1(O)CCCCCCCCC1	1947879715	RWYJRJXZEMXDCP-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCC1(C)CC(C(=O)CCCCCC(C)C)C1	1948412453	FHBGIIBGHACXDT-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
Cc1cc(N[C@@H]2CCC23CCC3)c(C)cc1Cl	1949318659	KAEAGLAPHRESJL-CQSZACIVSA-N	249.785	4.701	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C[C@@H](C)C(C)C	1949918715	ULNBPZKAGHUOPC-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CC12CCCCC2	1950624811	QMQBJOSJHPYOFV-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H]2CCC2(C)C)CC1	1950917403	FNDCUCIZFXSCFX-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C1(CC)CCC1	1951234233	DLSMPSMMWAAGDO-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CCC[C@@H](CN2CCCC23CCCC3)C1	1962981346	ZBBFIACMIMRSAU-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCCCCNCc1ccccc1C(C)(C)C	1964019890	RNFADZGQMWMARE-UHFFFAOYSA-N	247.426	4.654	0	10	BJAE	
CC1CCC(N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)CC1	1966074215	PXHHMAVENPZFCZ-QZRVTLOJSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C)c1OCC[C@@H]1CCC[C@@H](C)C1	1968269421	BFAROUYVAXABRJ-CJNGLKHVSA-N	246.394	4.899	0	10	BJAE	
Cc1ccc(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1F	1968319735	BOWXWTZPJOLJOW-IMRBUKKESA-N	249.373	4.618	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCC(C)(C)C[C@@H]1C	1971489452	NZPJFDAEOWENDO-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@H]1C1CC1)C1CCCCC1	1973479658	RAUBQBSWMYBNEB-ULQDDVLXSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)C[C@@H]1CCCCCCC[C@@H]1O	1980351254	MLPNSMSWWYDONZ-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
C/C=C/CCCCC[C@H](NCC)C(C)(C)C	1984632135	JJDMDJMVPSNXDB-OWNNVSBGSA-N	225.420	4.537	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1cc(C)sc1C	1985604930	NFGJFEVFFIIZHQ-ZDUSSCGKSA-N	240.412	4.615	0	10	BJAE	
CCC(C)(C)CC[C@H]1CC(=O)CC(C)(C)C1	1986217993	BBENEUXKBABMSO-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@H](C)CC(=O)CCC1CCCCC1	1988299990	NYWXPACOXYKPRY-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@H](CC)C(C)C	1988768712	VJGLFMZFXSTONO-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2c(C)cccc2C)C1	1995630502	OLYJMTYSOAVRQD-GJZGRUSLSA-N	231.383	4.684	0	10	BJAE	
CC[C@](O)(CCCC1(C)CC1)C1CCCCC1	1996545766	CABNPCIDGQXSHH-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC(C)(C)CNC[C@@H]1CCCC[C@@H]1CC	1996607377	CRVVWILZZNDGCK-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CC(C)[C@@H](C)[C@@]1(N)CCCC2(CCCCC2)C1	1996647821	RPMYYIXPRIMHSJ-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H]1CCCC2(CCC2)C1	1997043079	NSTPBOMSNJLWTO-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](CNC2CCCCC2)CC1	1997101070	WEPFFACIALKIPE-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C[C@H](C)CCC	1998029368	FCBFGSYLLDXCJT-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H](C)CC1=CCCCC1	1998379898	JFZCNJDXGCGJAL-GJZGRUSLSA-N	237.431	4.680	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)C[C@@H]1CCC=CCCC1	1999989061	WIUCHKNALTZKNF-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)c2cccc(Cl)c2)C1	2000191227	ZCVRXAIYEALHTL-GXFFZTMASA-N	248.753	4.515	0	10	BJAE	
CCCC[C@](C)(CNCC)[C@H](C)CCC(C)C	2000508306	ITCAXFQNNYFIGH-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCC1(C[C@H](N)[C@H]2CCCC(C)(C)C2)CCC1	2002978359	HOVHCLOWNSOGKN-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
O=C1CCCCCC[C@H]1CC1(F)CCCCC1	2003111943	PZWMWIFMHAHALQ-ZDUSSCGKSA-N	240.362	4.588	0	10	BJAE	
CCCCCC[C@@H](C[C@@H]1CCC2(CC2)C1)NC	2003221021	MEGBPRQXRORFMR-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H]1CCC2(CC2)C1	2003222861	ZOOOJQVUEVNTMZ-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CC(C)CCCCC[C@@H](O)[C@@]1(C)C=CCCC1	2003327633	XJZXSLZGNUTWEK-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCC[C@H]1CCC	2004706747	QCLRQRHNUHXPBP-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](NC)C1(C)CCCCCCC1	2004922840	LDDUOBQNFYNONW-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](O)C1(C)CCCCCCC1	2004923721	UFTFOWZPUBYPEA-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H]1C[C@H](CCC=C(C)C)CC[C@@H]1C	2006950170	WYCIJCPIRJUMJN-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H](C)c1cc(C)sc1C	2007023301	ICAKDQHDTABBLD-DOMZBBRYSA-N	249.423	4.514	0	10	BJAE	
CC=CCCC[C@H]1CCCC[C@H]1CNC(C)C	2009617491	SSDLOBJAHSAOTR-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@H](C)[C@@H](NCCC)C1	2009618461	BWDHQQIKTJRJRG-VTTDZUNHSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(O)(CC2CCCCC2)C1	2009716504	UVPURPPEVCLVQT-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](C)CC1)C(C)(CC)CC	2010624774	LTNKZJWUVBPVDK-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC(C)C)C1=CC[C@H](C)CC1	2010625917	WPEJPXVUUOWXJH-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC1=CC[C@H](C)CC1)c1cccs1	2010626203	QHNKYILRXGGYRE-GXTWGEPZSA-N	249.423	4.535	0	10	BJAE	
CCCN[C@H](CCC)C1=CC[C@H](C(C)C)CC1	2010719333	UIZJDKHAOHPLCB-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H](CC)C1CCCC1	2013267616	RYDIVEWOTZHTEC-HZPDHXFCSA-N	239.447	4.760	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC1(C)C)C1(C)CCCC1	2014341268	XUXAQHMYZFVVFJ-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H](C)CC1(O)CCC2(CCCC2)CC1	2015285375	WAZFPKARDODBJS-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCC(C(C)C)C(C)C)C(C)C	2015396843	GOFYALXLOJQSFQ-INIZCTEOSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)C[C@@H](CNC(C)(C)C)C(C)(C)C	2015396926	HFVYDBLORFGFFX-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1C[C@H](C)C(C)C	2015407449	AXRLJWCJKHPKHX-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CC[C@H](CC)C2)CCC1	2015598234	RLUFOPPAGRMHLX-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)C[C@H]1CC[C@H](C)CC1	2017716395	RRHYWUWRZZFWAA-TUVASFSCSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](O)CCC2(C)CC2)CC1	2017716440	RZFVOMDNFWHRKA-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(C[C@@H](N)[C@H](C)CCC)CC1	2017721471	KNOPNUBNTOMEGH-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](C)[C@@H](C)NC(C)C)CC1	2017723245	SROOJHOSDSJQME-FZKCQIBNSA-N	239.447	4.616	0	10	BJAE	
CCC1CCC(CSc2ccc(N)cc2)CC1	2017724596	HJMZSCXSJQGIFP-UHFFFAOYSA-N	249.423	4.577	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2CC[C@H](C)CC2)CCCC1	2017727804	DRZKMOLXJPJCFL-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)C[C@H]2CC[C@H](C)CC2)C1	2017773678	DLHLBSMAOSMVGK-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)CC[C@]12CCC[C@H]1C2	2018129066	ANGYLWGFHFOOHV-HRCADAONSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@@H](CCCC(C)C)NCC)CC1	2018972165	BUDUXWMUCCWIMP-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CNCC)CC1(CCC)CC1	2018982136	IZSGUWXVKTUICV-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@H]1CCCC[C@@H]1CC	2019204249	VDFUHOGHYAUYGT-XHSDSOJGSA-N	237.431	4.610	0	10	BJAE	
CCCCC[C@@H](CC)N(C)C1CCC(C)CC1	2019315310	LOQNSGLYNNKMSB-HWOWSKLDSA-N	239.447	4.856	0	10	BJAE	
CCCC1CC(N(C)CCCCCC(C)C)C1	2019342254	KLDVMCGAWPXTGA-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCCN(CC1CCCCC1)C1CCCC1	2020536646	AUPDNWCESQTALK-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCC[C@](CC)(CNC)C[C@H]1C[C@@H]1CCC	2022500707	BBWQZFGJMZERKS-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CCCCC(C)(F)F)CNC(C)C	2023286932	CIMYBWQKOYZEQN-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCN[C@@H]1CCC[C@@H](C)[C@H]1CCC(C)(C)CC	2024512029	ALXOOIYDXFADDQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CCCC(C)(F)F	2026078433	DGBXOPJSXZHDFO-GFCCVEGCSA-N	248.357	4.988	0	10	BJAE	
CC(C)(C)C1CCC(NC23CCC(CC2)C3)CC1	2029489429	OHZGCGWDNNIXCA-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCNCC(=C[C@H]1CCC[C@H]1C)C1CCCCC1	2032672973	RMRJVCLNYDGXRG-GDBMZVCRSA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)c1c(C)coc1C	2035532818	QZXRDDMIKFQKOK-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CCN[C@@H]1CC(C)(C)CC[C@H]1C[C@@H]1C=CCCC1	2035586076	AJMUVQZDADFKJN-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)c1cccc(C2CC2)c1	2036353063	WPXKINATBDZFKW-JSGCOSHPSA-N	242.362	4.573	0	10	BJAE	
CC1(CN2CCC[C@]3(C)CCC[C@H]23)CCCCC1	2036774633	WOVWDUPQFOPYSJ-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)([C@H]2CCC3(CCCC3)C2)C1	2037596139	YCBBOTZSGRSCKV-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCc2cc([C@H]3CCC(C)(C)C3)ccc2N1	2037692451	FOUADUIJWHDLLP-WFASDCNBSA-N	243.394	4.727	0	10	BJAE	
O=C(CC1CCC=CCC1)CC1CC2(CCC2)C1	2037973838	DLGSPWCUKXNEKS-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccccc1C(C)(C)C	2038354503	NHARGVVMDYXAAL-AWEZNQCLSA-N	245.410	4.975	0	10	BJAE	
CCN[C@H](c1ccco1)[C@H]1CCCC(C)(C)CC1	2039379565	ASASGNMOILIHSB-ZFWWWQNUSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CC2(CC(NCCCCCC3CC3)C2)C1	2039460153	MFIXTRYJXSJCFQ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCNCC1(C[C@@H]2CC[C@@H](C)C2)CCC=CCC1	2040172638	NNLPCLQCKKOIRQ-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC[C@@](N)(C[C@@H]1[C@H]2CCCC[C@H]21)C1CCCCC1	2040678561	UZQVBWGVUVWKSZ-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)CNCC[C@H](C)c1ccccc1	2040710034	BXTHQHPAOOUQQR-HNNXBMFYSA-N	247.426	4.596	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1ccccc1C1CCC1	2040724567	WWDNJLOUSQVGBT-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@H]1C=CCCCCC1	2043194997	QTKFSRGWFFRWST-WBVHZDCISA-N	247.426	4.744	0	10	BJAE	
CC1CC([C@H](C)Nc2cccc(C3CCC3)c2)C1	2043546888	LLDOEJULZWKCAF-UYJPIKCFSA-N	243.394	4.801	0	10	BJAE	
CCN[C@H](CC1CC=CC1)[C@@H]1CCCC[C@H]1CC	2045795642	ZZXOMXTWOBVYND-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
C1CCC(CCCN[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2046486670	RXIOQKKCRKUUSX-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@@H]1CC12CCCC2	2047008199	MRMQVIMCWVDNFF-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@@H]2CCCCCC[C@H]21)C1CC1	2047437004	ILZCWJHMOJDSIA-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
CC(C)NC[C@H]1C[C@]12CCCCC21CCCCC1	2047559482	HKBCJJGLWKPYIM-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
O[C@H](C[C@H]1CCC12CCC2)C1=CCCCCCC1	2047934460	BOBJPSWOJHGLKG-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@](C)(N)C[C@@H]2CCC3(CC3)C2)CCCCC1	2049848620	KKXRZSMBVXUPPV-HOCLYGCPSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC1CCC2(CC1)CC2)C[C@@H]1CCCCN1	2049849581	RJLQKEDBPZPHBN-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@H]1NC[C@@]1(C)C=CCC1	2049978226	CBOBEBNWASHCPW-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1CCCCC12CC2	2053325444	IJBUHFJJLGLECP-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CCCC=C2C)CC1	2055672279	RCLUBVXKCYNOOV-IKGGRYGDSA-N	249.442	4.824	0	10	BJAE	
CC(C)CCCCC=C1CC2(CCC(N)CC2)C1	2056621311	PRJIPTJJOAOVPF-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CCC2=CCCCC2)[C@@H]1CC	2058733982	JHSUDAJLZRPKLP-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(C)cc(C(F)(F)F)c1C(F)F	2060347364	CZQBRSSMBOOVMK-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@H]2CC[C@H](CC)C2)CC1	2061099099	MWWQVRIXXFIIIA-OHFALNGGSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@]12CCC[C@H]1C2	2061602873	PZSXIQJRVJJISS-SUMWQHHRSA-N	242.362	4.573	0	10	BJAE	
CCC1(C)CC(N)(CC2CC3(C2)CC(C)(C)C3)C1	2063207854	LJRPSNWABKMMQP-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C(=O)CC2C[C@H]3CCC[C@@H]3C2)CC1	2063534713	BTSLOIXJBGEEQG-AHNOJICISA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)C=CCC2(CCC2)C1	2063635798	MFZIKFNYAQQXBZ-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C1CC2(C1)CC2(C)C	2064002860	QUSFVGYGSOWGAS-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](CC12CCC(CC1)CC2)C1(C)CCCC1	2065306928	AYNSVNRYGWCLPL-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1ccc(OC)cc1C	2065990115	KOFPQISVUNGTDF-AWEZNQCLSA-N	249.398	4.630	0	10	BJAE	
CC[C@@](N)(CCC(C)C)c1cccc(C(C)C)c1	2065993258	QYNPTHIWWPVLES-QGZVFWFLSA-N	247.426	4.810	0	10	BJAE	
CCCC1(C[C@@H](NC)c2ccc(C)cc2)CCC1	2069345797	YPVVXTUMEJWGBT-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCN[C@H](C[C@]12CCC[C@H]1C2)C1(C)CCCCC1	2070958781	LOTSWBDCZDLRJT-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
C=C=CCC[C@@H](NCCC)C1(C(C)(C)C)CCC1	2071936938	UUGUZURYWSPJKK-OAHLLOKOSA-N	249.442	4.692	0	10	BJAE	
C[C@@H](C[C@@H]1CNC12CCCCC2)C1CCCCC1	2072190211	UDGQGPXPOFRWRU-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CC2CCC1CC2	2072416909	KHWOOUXCIFUJCL-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC(C)=C[C@H]2N)CC1	2072801385	NNCGYKPHWFADSL-QBPKDAKJSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCCCC23CC3)CC1	2072802645	ZYGGQGQQSOJGBJ-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCC1(C)CCC(N)(C[C@]23CCCC[C@@H]2C3)CC1	2074033933	OEMAQFPXVANKJA-KZYLPZIUSA-N	249.442	4.645	0	10	BJAE	
Cc1cc2ccccc2n1C[C@]12CCCC[C@H]1C2	2074092607	YSFCLZCYRZTICX-DOTOQJQBSA-N	239.362	4.530	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H]1CCNC2(CCCCC2)C1	2074140542	BZUYXLAFWGSNPM-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@@H]1CC12CCCC2	2074649979	ZDAYSKULCFONTG-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1([C@H]2C=CCCCC2)CCC[C@H]1C	2075363010	OKODBXOBFIDQJB-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CN([C@H]1C=CCCCC1)[C@@H]1CCCC2(CCC2)C1	2075403507	MFEJELPWYFRZFN-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
CCCCN(C[C@@]12CCC[C@H]1C2)C1CCCCC1	2076583734	BORBKGRHXAZECW-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](C[C@H]1CCCNC12CCC2)C1CCCCC1	2076646003	ULNWXQGWIZVIPI-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCCc1ccc([C@@](C)(N)CCC(C)C)cc1	2078004278	XKILCBXLFVXANB-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CCN(CCC1=CCCCC1)[C@@H]1CCCC1(C)C	2078722692	YKFDHAFFRORNEM-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
N[C@H](C1CCCCC1)[C@H]1C[C@H]1C1CCCCCC1	2079427407	ILCHHNBOBRXIBN-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1	2079490744	DMTAJLQAEIPATE-GDVJOBBMSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(N[C@@H]2C[C@H]2C2CCCCCC2)CC1	2079530655	RFKIWGHXWUAMIB-DLBZAZTESA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](C)C(C)=C[C@@H]1C[C@H]1C1CCCCCC1	2079700471	JPLZSVQYFKGYFD-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)c1ccccc1CC	2081208839	JIZAZCWYEZHYGT-CABCVRRESA-N	247.426	4.868	0	10	BJAE	
CC1=CCC[C@]1(N)CC1CC(C)(C)CC(C)(C)C1	2082973752	URDNWQDLHQTOTF-KRWDZBQOSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](C[C@@H]1CCCC(C)(C)C1)c1ccc(N)cc1	2082977413	ZEAYFAWNWOSQGV-KBPBESRZSA-N	245.410	4.979	0	10	BJAE	
CC[C@H](C)C[C@H](N)CC1CC2(C1)CC1(CCC1)C2	2083612525	BDBNQUHFBCRDCU-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
c1ccc(C2CC2)c(-c2ccc3c(c2)NCCC3)c1	2088961115	OSWOIAPLOBVBLL-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CC(C)C[C@@H](N)CCCCCCCC1CC1	2210527906	XWHKIPMOVIJXPQ-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)(CCCCCCC1CC1)CNC	2213577919	HDSGOUXHFVQPDD-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](O)CCCCCCC1CC1	2213581413	WGANHJNIYBEESS-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
Cc1csc([C@H](N)C2=CCC(C)(C)CC2)c1C	2213640559	IDJAYTPZQWKNMB-CYBMUJFWSA-N	249.423	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC[C@@H]2C[C@H]2CC)C1	2215323275	CRCXKXHNPABXBB-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CCCC(F)F)C[C@@H](C)CCC	2216417735	OOPODRPTTYLZQF-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H](CCCCC(F)F)[C@H](C)CCC	2216455735	ADVZYEOLAXZWSB-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1C[C@@]1(C)[C@H](O)CCCCCCCC1CC1	2216882603	AWRVKQXBFJZDIN-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)CC1(CN[C@H](C)CC)CC(C)(C)C1	2217124743	KATZTCXFASDXLS-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN(C2CCCCCC2)C1	2218165191	HLCPTJUVCHYMEB-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218331003	INMVGERDTJYXQF-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218341530	XBRCRZWKLSJNFL-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218348937	DOMVXSYBIXLOLB-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)[C@@H]1CC=CCC1	2218720737	LSRLMLAIZVDICO-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
FC(F)c1cccc(C/C=C/c2ccccc2)c1	2219073328	HALPWHJYXFDNSC-XBXARRHUSA-N	244.284	4.880	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(N)CCCC12CCCCC2	2220878886	OJMYTHLJKKUHPO-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@H](N)CC1(C)CC2(CCC2)C1	2221077767	ZVNHQMALBMVNDN-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
C1CC(NCCC[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2223598959	QLODLMJEHWUOLJ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CC(=O)[C@@H](C)c2ccc(C)cc2)CC1	2223966971	FXVXBTOAIAUBNM-AWEZNQCLSA-N	244.378	4.638	0	10	BJAE	
CCC[C@H](N)CCCC[C@H]1CCC[C@@H](C)C1	2242814569	AAZPQKVTYZOVDH-ILXRZTDVSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1ccc(Cl)c(C)c1	2244786122	ZSQURRZPMRSVMR-RISCZKNCSA-N	240.774	4.508	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCCC1=O	2244840956	BWTGVPKUHLKENA-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC1CC(C)(CC(=O)[C@H](C)C2CCCCC2)C1	2246523134	GWKDBSYMBFXYBB-MFOWVQHXSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CN)CCC[C@H]1CCCCC12CC2	2246636144	ZSHLJDAEBTXLPU-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CCCCC[C@H](C)NCC1CC2(CCCC2)C1	2246787413	KSWODQPSNKNFQN-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCCCC[C@H]1C[C@@H]1C)C(C)C	2247111914	IDLUCPCNAZZMOH-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cccc2sccc12	2250353575	WDDZQEFYUPLWAE-LLVKDONJSA-N	246.375	4.910	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC[C@H]1CCCC12CC2	2250366969	NQOMSRQAPHXSSX-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@]12CCC[C@@H]1CC2	2251119609	UTRHPXNVAVBURO-SQWLQELKSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)C[C@]1(N)CC(C)(C)CCC1(C)C	2251660302	SFULYRLLWYTVES-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc2ccsc2c1	2253058530	DDMRFBBPKYARKZ-CQSZACIVSA-N	247.407	4.872	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1CC1=CCCCC1	2255091039	GHVJAUFXFYOKHL-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@H](C)C1CCC1	2255137649	PWXJCWQRZSHZOQ-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC([C@H](N)CC[C@H]2CCCC23CC3)C1	2255274977	DTOGQSZGLUGWIH-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](CC(=O)[C@@]23CCC[C@@H]2CC3)C1	2260522737	YEOJJNZVDAZXLI-RUCLQGLUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCCCN1C[C@]12CCCC[C@H]1CC2	2260573926	KBMTVFRYKKBTJA-GVDBMIGSSA-N	249.442	4.611	0	10	BJAE	
CCCc1ccc(NC[C@]23CCC[C@H]2CC3)cc1	2260575226	RPFPBJKGKQJZIM-DOTOQJQBSA-N	243.394	4.631	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H]1CCNc2ccc(F)cc21	2261338228	IVAZTBGTFSLWKF-JHJVBQTASA-N	247.357	4.551	0	10	BJAE	
CC(C)C[C@@H](C(=O)[C@H](C)CC1CCC1)C(C)C	2298906298	XXTCGKRKACHZRT-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@H](C)CC1CC1	2298926392	MEHKBFXNXXIARL-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@H](N)C[C@H]1CCCC12CC2	2300682186	WOEFYKYOQGGLGT-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CC[C@H](O)[C@]1(C)CC[C@@H](C)C1(C)C	2300872392	PHPYUGSKCNLVBC-YCPHGPKFSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H](C)[C@@](C)(N)CC=C(C)CCCC(C)C	2300925647	FAGWVHGIWJTTMN-CVEARBPZSA-N	239.447	4.913	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(O)CC1CCCCCC1	2301135505	LBSYTZIWRJZJMC-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCc1cccc(OCC2CCCCCC2)c1	2301148243	SGVCOOAUFJYVRO-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
CCC[C@@H]1CCCCN([C@@H](C)[C@H](C)C(C)C)C1	2301968479	RDCCZBZHUPIRDM-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
CCC(CC)c1ccc2cc(OC)ccc2c1	2302229663	YDXVKQZLOKKNAO-UHFFFAOYSA-N	228.335	4.752	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC(C)(C)C1)[C@@H](C)CC	2302674606	CGJPOCCMLBRMQY-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2CCCCC[C@H]2O)C1	2304397051	RBAWOEUAJMWOQU-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@]1(C[C@H](CC)CCC)CC1(C)C	2307747896	UHSOZXDAKFTIIY-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CCCC[C@@H]1CC	2307880611	WYPUAUSBKOXPHH-JONQDZQNSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@]12CCCC[C@H]1CC2	2307898907	NUZBRFVGNNFCRZ-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CCC1(C)CC1)NCC	2307904372	SJUTYOVBJRFFFD-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CC[C@@]23CCC[C@@H]2C3)C1	2310380028	MRDDGVKZYCPGCV-DPAVQSFQSA-N	246.394	4.518	0	10	BJAE	
CCN[C@@H](CCCCC1CC1)C[C@@]12CCC[C@@H]1C2	2312408278	MJYLSIUSUVRHDK-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCC1	2313163410	BBYLIYFNYGAJSL-MJBXVCDLSA-N	248.410	4.598	0	10	BJAE	
CC(=CC[C@H](N)[C@@]12C[C@H](C)[C@@H]1C2)CCCC(C)C	2316551099	RRZJMGALDIFSOJ-LUKYLMHMSA-N	249.442	4.523	0	10	BJAE	
C1CCCC(CN[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2316881321	OXAZPEXXMOFDOB-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)[C@H]1CC12CC2	2316886867	YNJAYLOOMNRDLC-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1[C@@H](N[C@H]2CCCC3(CCCC3)C2)CC1(C)C	2318185909	MCQTWEUWKFRGOT-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC(C)(C)CN1CCCC1=CCCCC1	2318575613	HCUIVWKLDUEFDI-HNNXBMFYSA-N	249.442	4.778	0	10	BJAE	
C[C@@H]1CC[C@@H](CN(C)CCCC2=CCCCC2)C1	2318579473	SQQFZXAKSYZFBM-NVXWUHKLSA-N	249.442	4.635	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CC[C@H]2CC[C@H]1C2	2318596151	WRTYFEPHQMNCHF-IXDOHACOSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H]1C3	2318849788	WIOUHCWUTJYXCB-CMPLNLGQSA-N	239.362	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCN[C@H]1CCCC12CCCC2	2318975497	BPVUNCHJXAQXPR-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc([C@H](O)C[C@H]2CCC(C)(C)C2)c1	2319079239	KIPDHRUOPQUOKA-GDBMZVCRSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@H](C)C(=O)Cc1ccccc1C1CC1	2319148940	DDJHPWXEXWTRDH-ZDUSSCGKSA-N	244.378	4.502	0	10	BJAE	
C/C=C/CCCC(=O)c1cc(F)ccc1C1CC1	2319181734	FWKUVAPDAHPHAA-NSCUHMNNSA-N	246.325	4.632	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CC[C@@H]1C(C)(C)C	2320213986	SSLLILZDMXXNCG-CABCVRRESA-N	244.378	4.504	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@@H]1CCC(C)=C(C)C1	2320230328	GJGFLJVIHNLQNH-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC[C@](C)(CNC1CC1)C[C@@H]1CCC(C)=C(C)C1	2320332011	UQUFXTGBPDNHJO-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2CCC(C)=C(C)C2)CCC1	2320336751	IGRYWAOGJFVTFR-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1C[C@H]1CCC(C)=C(C)C1	2320397595	MWMDCGSALYHKGB-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](N[C@H](CCC(C)C)C2CC2)CC1	2320414243	XBSBIKKJZLQZRT-DLBZAZTESA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)CCC[C@H]2C[C@H]2C)CC1	2320415142	XVTQUXQDLVSYHD-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)c1ccc(C)cc1C	2328192332	BAJQNWLKSCPVAO-WBVHZDCISA-N	247.426	4.694	0	10	BJAE	
CCCc1ccccc1-c1ccnc2ccccc12	2339615008	TYWJIOISEGWJMZ-UHFFFAOYSA-N	247.341	4.854	0	10	BJAE	
CC(C)CCN[C@H](C)c1ccc(C(C)C)cc1	19230681	CSECDBFBULPNTO-CQSZACIVSA-N	233.399	4.507	0	10	BJAE	
CCC1CCC(Nc2ccc(C)cc2C)CC1	21014987	LMTBVZFNSSTTRJ-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](c1ccccc1)C1CC1	37075034	GJUJCADKUHJZQC-YOEHRIQHSA-N	245.410	4.696	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)c1ccc(CC)cc1	69372611	VTIJQUNMJLGSMX-PBHICJAKSA-N	247.426	4.868	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@@H](C)C(C)C)cc1	70122562	GUUSPWAIFNEYPO-STQMWFEESA-N	232.367	4.675	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(C)c(C)c2)C1	71105694	DZSGMDIAAJUBNN-CABCVRRESA-N	231.383	4.684	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@H](C2CC2)C1	81632641	SJUUAIZRYRUGRY-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CSc1ccccc1NC[C@@H]1CCC[C@@H](C)C1	89606210	SIMARSSDFXKXGX-CHWSQXEVSA-N	249.423	4.647	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@@H]2CCCC2(C)C)c1	94306663	NASMNDUSJVHUNU-GOEBONIOSA-N	245.410	4.533	0	10	BJAE	
CCCCc1ccc(CCCC(=O)CCC)cc1	107478937	YRYBDHLMNFQDER-UHFFFAOYSA-N	246.394	4.721	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccccc1C1CCC1	128299439	XSAWKTYCFQBVCR-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
FC(F)(F)c1cccc2c(Cl)cccc12	149565086	MXVRXCBMYLQZAJ-UHFFFAOYSA-N	230.616	4.512	0	10	BJAE	
CCCC(CCC)[C@H](CC1CCCC1)NCC	162760848	PTZVZSJJJHAUDG-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](O)CC1CCCCCC1	168248209	HZBUTLRTNDOYPH-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
C/C=C\C=C\CCCCCCCCCCO	223901522	ZHBBYNQMCOFBFC-AWYLAFAOSA-N	224.388	4.622	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@@H]1CCCC1(C)C	226825842	PHSHGDJNXGBZBF-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@H]1CCC[C@@H](CC)C1)C(C)(C)CC	229478338	LCVXHQXIEOVXGD-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1N[C@H](C)CC1CCC1	229668632	YGJWQWJRFPPZDZ-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)C[Si](C)(C)C	230926702	XQCSZXLCEPUJMD-AWEZNQCLSA-N	243.511	4.519	0	10	BJAE	
CCC(C)(C)CN[C@H](C)c1c(C)cc(C)cc1C	232991745	YMXKHXUFSKYTKX-OAHLLOKOSA-N	247.426	4.699	0	10	BJAE	
CCC[C@H](N[C@@H](C)[C@H](C)CC)c1cccs1	251185069	SGYFWOOREPIWQD-AGIUHOORSA-N	239.428	4.614	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H](C)c1ccccc1	251307599	ILUAMCVWURNBTM-VYDXJSESSA-N	248.410	4.758	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@]2(O)CCCC[C@H]2CC)C1	251861355	SVDALEJMJIDFDS-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CCCC(C)(C)C	302258872	DNMQCORHUVDMJR-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCCNc1cccc2c1CCCC2	302289226	KWWCIOLHMJIKFN-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CCC[C@@H](C)n1ccc2cccc(CC)c21	303999321	ZIQSGUCQVLKLRY-GFCCVEGCSA-N	215.340	4.565	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@@H](C)CC(C)C)c1	304185214	ROCHWXUMTKRDPV-LBPRGKRZSA-N	232.367	4.558	0	10	BJAE	
CC(C)C(Nc1cc(Cl)ccc1F)C(C)C	304412270	CTXMBFXZJLXEHC-UHFFFAOYSA-N	243.753	4.572	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)[C@H](CC)CC(C)C)C1	308031164	OPHFHIZJMFWDRE-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(C)cc([C@H](N)C[C@H]2CCC[C@@H](C)C2)c1	311013329	PMZZLKNTZOERME-ISTRZQFTSA-N	245.410	4.520	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNCC)CC[C@@H](CC)C1	317256636	LWOCRJXNHPCGJN-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NC)[C@@H](C)[C@H](C)CC	319482036	BKUIISGWKIADMV-QKPAOTATSA-N	241.463	4.719	0	10	BJAE	
CCC[C@@H](N[C@@H](C)CCC(C)(C)C)C1CCC1	322517808	IJXFFZHGZLDLHL-DZGCQCFKSA-N	239.447	4.760	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H](C2CCC2)C2CC2)CC1	324887737	FSPBBJCWKWEXDR-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCC1(C[C@H](O)CCC2CCCCC2)CCC1	380197372	QRMOSGLZTMRJJK-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC(C)Nc1cccc(CSC(C)(C)C)c1	381120948	INQBUQMVQMJPLN-UHFFFAOYSA-N	237.412	4.539	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@H]2CCC[C@H](C)C2)CC1	383345991	SYUZYWMMZDFRKC-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CCC1CCCCC1	384959236	HCDXOTXQRKYEQW-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@@H](c1ccc(C)c(C)c1)C1(CC)CC1	384995062	RHKOBLGCYZWIDI-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC(C)C(C(=O)C[C@H](C)c1ccccc1)C(C)C	385240016	VBMFCEQFFVSLAP-AWEZNQCLSA-N	246.394	4.678	0	10	BJAE	
C[C@@H]1C[C@H](NC[C@H](C)C(C)(C)C)c2ccccc21	385771066	VTKXZONHSKPMHK-WWGRRREGSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)c1csc(C)c1	392891291	UFKVQQBQBBBSMK-GXTWGEPZSA-N	240.412	4.696	0	10	BJAE	
Cc1c(Cl)cccc1N[C@H]1CCCC12CCC2	394752440	VNIMKPIGUBTCOK-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
CCc1cc(SC)c2scc(CC)c2c1	396177121	JRXLTODAJWENPM-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1cc(C(F)F)c2c(F)csc2c1	396194199	HETWHCAVMFFVDU-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1c(F)ccc2c(C(F)(F)F)csc12	396299386	NMJCEFSRNJRORC-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCC[C@H](Nc1cc(F)ccc1C)[C@@H]1CC1(C)C	397736249	GUPGXVAWVVCMSP-KBPBESRZSA-N	249.373	4.761	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@@H]1C[C@H]1c1ccccc1	688963627	IOSKOHVJNKQVII-LSDHHAIUSA-N	244.378	4.576	0	10	BJAE	
COc1cc(NCCCCCC(C)C)ccc1C	689704841	MPGNXCWWZOZYIQ-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
Cc1cc(N[C@@H](C)CC2CCCCC2)ccc1F	689719461	PNRMIFZKTWMOQF-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CC1CCCCC1	691184753	JKZRPUSEEHWPTA-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@@H]1CCCC1(C)C	691188654	SKRRQFRGABGONG-RBSFLKMASA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](C)C1N[C@H]1CCC12CCCCC2	693806175	PMLHUKQLJYNEBM-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC23CCCC3)c1	694403868	PGHPISOENNAWGO-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CCN[C@@H](CC(C)C)[C@H](CC)c1cccc(C)c1	695079090	OUJPQFFZFRBCFI-SJORKVTESA-N	247.426	4.513	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)CC)[C@@H]1C[C@H]1CC	696552142	XTOXTKFDPICWCR-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)CC)c1ccccc1	696804394	XZTXDDHGZUEENV-INIZCTEOSA-N	247.426	4.944	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@H]1CCC[C@@H](C)C1	697759304	NSHCZDNLIHBMSH-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCCC(F)F)CCC(C)(C)C	699905253	DETDJFPEQBCRTM-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCC(C)(CC)c1ccc2c(c1)CC[C@H](C)N2	701138113	OQGGLAJZZYSIEI-LBPRGKRZSA-N	231.383	4.511	0	10	BJAE	
CCN[C@H](c1cc(C)ccc1C)C(C)(CC)CC	701207382	WACZKYNRRXGDOM-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)[C@H](C)CC(C)(C)C)C1	704609951	HFAIURXCQSIOPC-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@](C)(N)CCC(C)(C)C	704857297	WCAHWQPAGRJVIL-FMKPAKJESA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C[C@](C)(N)C1CCCC1)C1CCCCC1	704899296	OESWRCAIMSENEB-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C[C@H](N[C@@H](C)[C@]12CCCC[C@H]1C2)C1CCCCC1	709157632	WFQZIUINYHDGBN-NXNVCVFFSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)C[C@@H](C)C(C)(C)C	710700465	ARSKCAHOQPEGCH-FVQBIDKESA-N	248.410	4.613	0	10	BJAE	
CC[C@@H](CC(=O)C(C)(CC)CC)C(C)(C)C	711143769	FVRMNSZFDBKOFY-LBPRGKRZSA-N	226.404	4.844	0	10	BJAE	
CC[C@@H](C)CC(=O)C1CC(C)(C)CC(C)(C)C1	711185084	SZZLRTXZGDIJBY-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H]3CCCC[C@@H]32)cc1Cl	712393092	WHTRYAGEDQZCHH-OSAQELSMSA-N	249.785	4.639	0	10	BJAE	
CCCNC[C@@H](CC(C)(C)C)c1ccccc1C	713139772	JWVGWFDQJJMDGD-OAHLLOKOSA-N	247.426	4.514	0	10	BJAE	
CCCN[C@H](CC(C)(C)C(C)C)C1CCCC1	713269252	SNKLMHOCPOJBTQ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@@]1(CC(C)(C)CC)CC[C@@H](C)C1	713338917	JBUBFXUXQHVMIJ-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1sccc1Cl	713356107	TVEMLNLBTJDEIX-UHFFFAOYSA-N	244.787	4.657	0	10	BJAE	
C=C/C=C/CCN[C@H](CCCC)c1ccccc1	713494886	DRCILBFYSRVUHA-QQOXCAACSA-N	243.394	4.640	0	10	BJAE	
C=C/C=C\CC[C@@H](NCC)C1CCCCCCC1	713745591	LCUIDYJXTVYYQX-KEGWNNHHSA-N	249.442	4.847	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CCC(C)(F)F)NC	713927031	WNHZRFWECABOGF-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@@H](CCC(C)(F)F)C(C)(CC)CC	714029287	MNNHAJSKIDSNDO-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)c1ccc(C)cc1C	718627400	WMNSWULWGRBMKM-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1CCC[C@H](C)C1	721691025	IWKHKYQWLDCRMV-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1COc1cc(C(C)C)ccc1C	723145732	AMVWETPVQVLOHU-UKRRQHHQSA-N	232.367	4.543	0	10	BJAE	
ClC(Cl)=Cc1csc2ccccc12	1088725430	ITUDWBLJFMKDBX-UHFFFAOYSA-N	229.131	4.677	0	10	BJAE	
CCC(CC)S[C@@H](C)CCc1ccccc1	1458943943	FOPMBIYJKUHAFC-ZDUSSCGKSA-N	236.424	4.930	0	10	BJAE	
Cc1ccc(S[C@H]2CCC[C@@H](C)C2)cc1	1472938382	GIGDLBSHDJMMFY-OCCSQVGLSA-N	220.381	4.666	0	10	BJAE	
F[C@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F	1615891310	RATKUOWARRQCNG-SSDOTTSWSA-N	247.018	4.566	0	10	BJAE	
C1CCCC(NCCCCC2CCCC2)CC1	1650616759	GQOITLLSOZMYKW-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC[C@H](N)[C@H](C)CC=C(C)CCCC(C)C	1900868088	DYMQQTIORSXQAD-CABCVRRESA-N	225.420	4.523	0	10	BJAE	
CCCCCCc1nc(CC2CCC2)cs1	1901912934	UPNMOBLGLUBRFG-UHFFFAOYSA-N	237.412	4.609	0	10	BJAE	
CC[C@H](C[C@H](O)CCC[C@@H]1C[C@@H]1C)C(C)(C)C	1908567705	GULOADUAYRLODH-GBJTYRQASA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@@H]1C[C@H]1CC	1909577930	ZFKJCFQRJILVKP-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](NC)c1ccc(C2C(C)(C)C2(C)C)cc1	1917176714	XXRRPHPHBSLFDE-CQSZACIVSA-N	245.410	4.507	0	10	BJAE	
CCCC1CC(CO)(C[C@@H](C)CC(C)(C)C)C1	1921189758	APARLQFPANPRDL-HLIUYOAVSA-N	240.431	4.638	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2CCCC23CCC3)C1	1921610982	QPFZRXOGGGBRII-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H](C)C2CCCC2)C1	1924139686	RYDVQSGHCDPLAD-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CCC1(C)CC1)NCCC	1935874263	AHXRHEANHAWSKE-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@](C)(O)CCC[C@H]1CC1(C)C	1935924965	RMFHUUGNDVVHEN-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)c1cscc1CC	1938826604	NUUYFWDPLGXYLV-BXUZGUMPSA-N	240.412	4.560	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)CC(C)(C)CC	1940676686	RJWZXVFFUCJBDB-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)[C@@H]1CCCCC1(C)C	1942653683	STZXFOYQOORKML-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@]12CCCC[C@H]1CCC2	1944237717	DXBLCDGQYALKCD-XJKSGUPXSA-N	236.399	4.742	0	10	BJAE	
CC(C)(NCCCCCC1CC1)C1CCCC1	1945379273	JDPIALLPPLEAQY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](NCCC2(C)CCCCC2)C1	1945432912	UJZAEIWXNBGNCM-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCCC2(CCCC2)C1	1946455275	LYJZVUVHTFJGSV-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](C[C@@H]1CC[C@@H](C)[C@H](C)C1)NCC	1948424476	CGQJURMEKQWEOD-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@@H]3CCCC[C@@]3(C)C2)cs1	1948597215	WSLCFMUPNUNQBW-GUTXKFCHSA-N	249.423	4.827	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCCC[C@@H]1C(C)C	1949047168	NXBIILSHADHIIC-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)C[C@H](O)[C@@H]1CCC2(CCCC2)C1	1949400259	UKTHNZAKDRWXDD-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](NC)[C@@H]1CCC2(CCCC2)C1	1949527686	BRSGYMSEEUJFGK-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C[C@@H](O)CC1CCCCC1	1949906388	CWCBZDRWVZBKIO-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@H]1CC12CCCCC2	1950660078	XPIZOALZFVQXBE-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@]1(C(=O)O)CCC[C@H](C)CC1	1950911940	SQRJHSUDEYGYRU-ZFWWWQNUSA-N	240.387	4.628	0	10	BJAE	
CCCC[C@@H](CC)CN(C)C[C@H](C)CCC	1964259460	SPCPJXFSVHEMRF-HUUCEWRRSA-N	227.436	4.571	0	10	BJAE	
C[C@@H](NC1CC(C)(C)C(C)(C)C1)c1ccccc1	1968242769	NMCDBSHSOJTVEG-CYBMUJFWSA-N	245.410	4.552	0	10	BJAE	
CC1(C)CCC(c2csc(C3CC3)n2)CC1	1968710609	MFWFKXHLXJQHID-UHFFFAOYSA-N	235.396	4.704	0	10	BJAE	
CCC[C@H]1CCCCN1C[C@H]1CCCC2(CC2)C1	1970603157	AIIDONZAGNEYPG-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C(C)(C)CC)CC1	1976340048	ABIVPIJLVMWTMP-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCCc1csc([C@H]2CCC[C@@H](C)CC2)n1	1976351812	ZJLXOGMPKOVUHL-NEPJUHHUSA-N	237.412	4.779	0	10	BJAE	
FC(F)(F)[C@@H]1CCC[C@@H](CC2CC=CC2)C1	1981977896	VMEJPJLPWLBXSR-NWDGAFQWSA-N	232.289	4.711	0	10	BJAE	
CCC(C)(CC)CN[C@@H](C)CCC=C(C)C	1988786462	DSYPOLTYVOLTET-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@](C)(CNCC)CC(C)=C(C)C	1989651057	AYQUNPGYNLSMCN-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1C[C@@H]1CCC	1993073096	VKGCLPDKSPBSBX-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)C1(C)CCCCC1	1996613325	QCFKNPPZVNDLQB-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H]([C@H]1CC[C@@H](C)C1)C(CC)(CC)CC	2000375662	FMLPNWFZRVEAIG-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCN(CCCC)CC(C)(C)CC(F)F	2000905114	KNECPZSLMSCUEZ-UHFFFAOYSA-N	249.389	4.570	0	10	BJAE	
CCCCN(CC1CCC=CCC1)[C@H](C)CC	2000907920	RZDRUESXWVFCRS-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@@H]1CC12CCCCC2	2001261956	JRNSVYZBADLLRA-UKRRQHHQSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@]1(C)CC=CCC1	2001693469	HUWGJRFTOUUCNP-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](N)CCCC)CC1	2003066782	IAVHQXMLIUZUBD-BZUAXINKSA-N	239.447	4.891	0	10	BJAE	
CN[C@H](CC=C(C)C)c1cccc2ccsc12	2004230789	YXMSXQDXMHEPIZ-CQSZACIVSA-N	245.391	4.518	0	10	BJAE	
CC[C@@]1(C)CCCN(C2CCCCCC2)CC1	2004336429	FYYKIEYCWCGJOG-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
CCCC(CCC)CNc1ccccc1CC	2004706662	PHBONADNPXHSEN-UHFFFAOYSA-N	233.399	4.877	0	10	BJAE	
CCC1(C)CCC(N[C@@H](C)C2(C)CCC2)CC1	2004843212	JUDIUZJUDJVENJ-NFOMZHRRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CO)CCCCC12CCC2	2005579411	JDMVKJMEUYKVPC-GDBMZVCRSA-N	238.415	4.536	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@H]2CC2(C)C)CC1	2007683153	KJCKNCWVRWWUAA-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@H](N)C1(C)CCC(C)(C)CC1	2007693659	GOVQYVWUYQTREC-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CC[C@H](N)C1(C)CCC2(CC2)CC1	2007695469	JMVPDNQBAMGBOX-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CCC1CC(C[C@](C)(O)CC2CCCCC2)C1	2007755978	DTSXOGWPMUGJKT-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC([C@](C)(O)CCC2(C)CC2)CC1	2009542462	WHJCZDGFFSBMJD-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCC1(CNC(C)(C)C)CC(C)C1	2009617046	OGOCIGFQOVZRGT-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCCC)CCC[C@@H]1C	2009627297	JNLLASIZMJGOQK-IRJXADNDSA-N	237.431	4.539	0	10	BJAE	
CC=C(C)c1cccc([C@@H](CC)NCCC)c1	2012295709	DUWDTXZGHKKXNP-MRXNPFEDSA-N	231.383	4.561	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CCCC(C)(C)C1	2013309325	OLHSXBCIIKFTKS-LSDHHAIUSA-N	239.447	4.712	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@](C)(N)C2(C)CCCC2)C1	2014337228	CLVJJZWYKGCZPK-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1cc(C)c(C)o1	2015324073	XJBDLKFAJILPNW-KGLIPLIRSA-N	237.387	4.503	0	10	BJAE	
CCCC1(C[C@]2(CN)CC[C@@H](CC)C2)CCC1	2015645297	SHAMDTWEBPYQKH-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@H](C)C[C@@H]1C	2016149866	NSNUKIQHDKBKRE-YHUYYLMFSA-N	237.431	4.536	0	10	BJAE	
CC1(CC[C@H](O)CC2(C(C)(C)C)CCC2)CC1	2017113702	CXJUCVSLTWLVRR-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@](C)(O)CC1(C(C)(C)C)CCC1	2017114070	HZFBDRVDFIAKBR-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(N)C(C)(C)C)CC1	2017732062	YAMHNCAKENXDMY-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(CC=CCCNC(C)C)CC1	2017736567	YIXLJVQZYWXLPO-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(CC(=O)C2CCCC2)CC1	2017766315	KOBPUOKUMZRWDI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CC)N(C)CC(C(C)C)C(C)C	2018179981	QGMNPEIIZNXIRG-HNNXBMFYSA-N	241.463	4.815	0	10	BJAE	
CCC[C@@H](C)CN(C)[C@@H]1CCCC(C)(C)CC1	2019289464	BITPGTZRVHECKA-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)C[C@H](C)C1CC1	2019683332	JRSLLDAJCAZGFR-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@@H]2CCCC(C)(C)[C@@H]2O)CCC1	2020403117	NTSNIAOCJYWHIA-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1C[C@@H]1C1CCCC1	2022566194	TXHNMNDOWUXTFX-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@H]1CC(CC)CC	2024508969	DJYSAFAGEXFGCS-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)c1cccc(C)c1	2027313765	IYJVBOMWBGWSFS-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@](C)(F)c2cccc(N)c2)C1	2027942323	VSBGCWWOXYPMBO-XJKCOSOUSA-N	249.373	4.670	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)c1cc2ccccc2o1	2028252628	PQIRERYSARAYTO-CJNGLKHVSA-N	245.366	4.505	0	10	BJAE	
C[C@H](c1ccccc1)N(C)CCCCCC1CC1	2028633327	HREJHZPKJOLQBS-OAHLLOKOSA-N	245.410	4.650	0	10	BJAE	
CCN[C@@H](CCCCCC1CC1)c1occc1C	2028646651	XFAQAUPPXYMZTM-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)C[C@@H]2CC2(C)C)cc1	2032362005	FDGZRDGBDJXKQR-MAZHCROVSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)CCCC12CCCCC2	2032505963	LLKBTCDGWMJVJC-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCc2ccc(C(C)(C)C)cc2C(=O)C1	2034181452	FNLZJWPUSWEXMI-LBPRGKRZSA-N	244.378	4.529	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)[C@H]2CC23CCCC3)CC1	2036100288	JMTHFRYRCKXNDV-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@H]1CC12CCCC2	2036100754	MUPJZNQWCKPRSB-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@]1(N)C1CC2(CCC2)C1	2037135348	IFKRGVOACQMFJM-YOEHRIQHSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@@H]2CCC[C@H](C)C2)c1	2037143251	QDHHDDGZGZRLLD-LXZKKBNFSA-N	245.410	4.636	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(N)C[C@@H]1CC=CCC1	2037166912	OSIXARAIGWXEEK-QBPKDAKJSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C[C@@H]2C=CCC2)CC1	2037305446	CURAWAOIMVFWLM-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)C2CC3(CCCCC3)C2)C1	2037685163	DZPZDYOUGGOPHE-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2C[C@@H]3C[C@H]3C2)CC1	2041378876	HGOZUSABZBBHRC-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CCC[C@H](Nc2ncccc2C)CC1	2041498216	HJOBQYPYLPTKKE-GJZGRUSLSA-N	246.398	4.551	0	10	BJAE	
CCCNCC1([C@H]2CCC[C@@H](CC)C2)CC=CC1	2042095389	AHYNBDHDYQQRKQ-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CC(C)CC1(CNC[C@@H]2CCC=CCCC2)CC1	2045319076	AEWMEGVZGNPVMB-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CCC1(CNC[C@@H]2CCC=CCCC2)CCCC1	2045332038	LAYLBYAALRFRRO-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H]1CC(C)=C[C@@H](C)C1	2045560176	KICSBUFRMYRQOO-MIGQKNRLSA-N	248.410	4.764	0	10	BJAE	
CN(CC1(C)CCCC1)C1CC2(CCCCC2)C1	2046329960	ZOPRFYXWUKJGJH-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
O=C(CCC1CCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047425966	AMQLFWOHHJPPDR-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2[nH]c([C@H]3CC[C@H](C)CC3)nc21	2049638306	MRPJLQFJTCZKIQ-FDYHWXHSSA-N	246.398	4.704	0	10	BJAE	
CN[C@H](CC1CCC2(CC1)CC2)C1(C)CCCC1	2049860001	URVSVCWPTCNXKR-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC[C@@H]1CCCCC12CC2	2053430858	MFQYBXPNEYFHDZ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCNCC1([C@@H]2CCC[C@@H]2C)CCC=CCC1	2055274567	HDEGBAOONIPRSG-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@H]1CCC[C@H](C)CC1	2056873149	KTBZUESXFGMXIY-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)CCC1CCC1	2056875597	IGYLLYHIIHTVOE-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C[C@@H](C)C1CC1	2056880149	ZWGZZSXFWBHCBM-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@H]1CCCCC12CCC2	2059220995	HPPBHNNXLNQPOV-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C/C=C/CCC[C@]1(CNC2CC2)CCC[C@H](C)C1	2059260732	ZVGVZPNENURPLC-PKOQZONYSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@](C)(N)C2(C)CCC2)CC1	2061119168	MVEAWSMTAPEPIU-CXAGYDPISA-N	249.442	4.667	0	10	BJAE	
c1ccc2c(CC3CC(=C4CC4)C3)cccc2c1	2061718076	GXOSXVRPZMVXPG-UHFFFAOYSA-N	234.342	4.883	0	10	BJAE	
CCC1CCC(C(=O)C2C[C@H]3CCC[C@@H]3C2)CC1	2063500012	FGOGSAWATIHLOZ-NEXFUWMNSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CC23CCC(CC2)CC3)CC1=O	2065285824	JUYZXWDNEDXGCS-UUCFBXCCSA-N	248.410	4.742	0	10	BJAE	
CC[C@@](N)(CC12CCC(CC1)CC2)[C@H]1CC1(C)C	2065336891	HBBCMWIRQCLVOE-UMAGBFNSSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CC[C@@]2(C)C[C@@H]12	2065656048	DMYRFSYFEXIIMC-LXZKKBNFSA-N	243.394	4.585	0	10	BJAE	
CC1([C@@](C)(N)CC2CC(=C3CCC3)C2)CCCC1	2067503971	KMMCXQUDNNTBDU-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)[C@H]1CCC1(C)C	2068244773	NFDHMERWGSRLBY-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H]1[C@@](C)(N)C[C@H]1CCC=CCCC1	2068269685	ORWYRAXGWHQRPS-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C(=O)CC(C(C)C)C(C)C)c(C)c1	2068981527	MHIRSXBEHNGATH-UHFFFAOYSA-N	246.394	4.804	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)c1ccc(C(C)(C)C)cc1	2068984188	LUVIAVCBEIRSPZ-ZDUSSCGKSA-N	246.394	4.849	0	10	BJAE	
CCCC1(COc2ccc3[nH]ccc3c2)CCC1	2069280374	JSYJCPHQKVVXNH-UHFFFAOYSA-N	243.350	4.517	0	10	BJAE	
CCCC1(C[C@@H](N)CC(C2CC2)C2CC2)CCC1	2069336610	BIXISVSWVATVOX-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(CC)c(NC[C@H](CC)C(C)C)c1	2070275171	QKXNAEAKIDEDKA-INIZCTEOSA-N	247.426	4.906	0	10	BJAE	
CCCN[C@H](C[C@@]12CCC[C@H]1C2)C1(CC)CCC1	2070863750	CVUSFWJSCMCFKL-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@H](N)c2ccoc2C)CC1	2072800391	DDTFKAJDZJIKRS-XUJLQICISA-N	249.398	4.584	0	10	BJAE	
CCC1CCC(CC(=O)[C@]2(C)CC=CCC2)CC1	2072871066	KNRPQQXDQWQIOL-VMBOVVBDSA-N	248.410	4.908	0	10	BJAE	
CCCCC[C@]1(CC)Nc2cc(C)cc(C)c2O1	2073349607	DSJWEKAQJVYRBO-MRXNPFEDSA-N	247.382	4.794	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)[C@@H]2CCCC3(CC3)C2)C1	2073785991	GPFKFHZKISITMV-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(N(C)[C@@H](C)c2ccccc2)CC1	2074791695	WUBKOUJFWXQUPB-UQPPLGOBSA-N	245.410	4.648	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N(C)[C@H]1C=CCCCCC1	2074809187	IYPCNPBRYMPMQM-IKGGRYGDSA-N	249.442	4.776	0	10	BJAE	
CC1CCC(CN(C)[C@H]2C=CCCCCC2)CC1	2074810953	SIWDTNXGADJUTN-JCYILVPMSA-N	249.442	4.633	0	10	BJAE	
CC1CCC(N2CCC3(CCCCC3)CC2)CC1	2075121428	ZIHQXTLCQNESBX-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)CC[C@H](C)n1cc(-c2ccccc2)cn1	2075243742	IEAKMEUGDQZNJN-AWEZNQCLSA-N	242.366	4.547	0	10	BJAE	
CCN[C@@H](CC[C@H](C)C1CCC1)c1ccccc1	2075817705	NJTFWSYNFNEDNS-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccccc1C1CC1	2077261972	JISFTWHQKOUFLX-XJKSGUPXSA-N	243.394	4.945	0	10	BJAE	
CC(C)(C)C1(C(=O)C[C@@H]2C[C@@H]2C2CCC2)CCC1	2079325817	WFDIYYKHAAETPQ-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1	2079492080	NXRVUXJMWWKFNL-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@](O)(CCC)c1ccccc1	2079552028	BTPRLRAPHDHFPK-VYDXJSESSA-N	246.394	4.501	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CNc1cccc2ccccc12	2079620780	RDWAPFRLBHUJJF-ZBFHGGJFSA-N	239.362	4.544	0	10	BJAE	
Cc1cn(C[C@@H]2C[C@H]2C2CCCCC2)c(C)c1C	2079818271	IJGBBZNUXAKJEI-IRXDYDNUSA-N	245.410	4.630	0	10	BJAE	
C[C@H](C[C@@H]1CC12CCCCC2)[C@H]1CC[C@@H](N)CC1	2082133970	QCSZMCMCSRYQCU-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC1(CCC[C@@H]2CCCNC23CCCCC3)CC1	2083816204	QMQGIJQWKBMBGQ-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H](CC)c2cccc(C)c2)C1	2085253409	UWCZMOALCGIECH-DJIMGWMZSA-N	245.410	4.614	0	10	BJAE	
CCC[C@H](C)C[C@@H](CCC)CN[C@H](C)CC	2212588770	NMONJOBCVZATEK-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@H]2CCCC2(C)C)CC1	2213104371	CWXCXTJLRZTUAR-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@](N)(CCCCC1CC1)C1CCCC1	2214565173	KRVDRKAPAFZOSA-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC1(CC)CCC(O)(C[C@@H]2CC[C@H]2C)CC1	2214981976	NAJLSEMFLWZCQJ-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)CCC1CCCCC1	2215260344	XREQFMYVDWNNAP-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CCCCC1CCC(N)(CC[C@@H]2C[C@H]2C)CC1	2215266782	SCYOPYONAHEBNO-YHNBSYBMSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](NC)[C@]1(C)CC=C(C)CC1	2215811868	FXTQJTYWVADCBZ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C(CCCC[C@H]1CCCCN1)CCCC1CC1	2216902709	YDSMGJWLEJJAQB-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CC[C@H](C)NC[C@@H](CC(C)C)C1CCCCC1	2217154233	RVNDPBMFUOMESO-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218325841	SWMQRXQHQZRRPE-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218330333	HPSUEYDIQMMTKB-ALYAQQCSSA-N	249.442	4.514	0	10	BJAE	
CC1([C@@](C)(N)CC2C[C@H]3CCC[C@H](C2)C3)CCC1	2218359595	SPDVUMBCOQAPNZ-ZQIUZPCESA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218385689	OFJNQXOMTZCKCE-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@@H](C)Nc1ccnc(C(C)C)c1	2220885648	OJUIFRDMRPQPQR-CQSZACIVSA-N	248.414	4.976	0	10	BJAE	
Cc1ccc(N(C)CC2(C)CC(C)(C)C2)c(C)c1	2221089359	ABUIFVJZBZTTMX-UHFFFAOYSA-N	245.410	4.566	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@H]1C[C@@H]2C[C@@H]2C1	2223133411	VRDSRAUZUJHSIB-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CC(C)=CCC[C@@H](C)Nc1c(C)cc(O)cc1C	2223344913	IEBISTQOPPKYSY-CQSZACIVSA-N	247.382	4.556	0	10	BJAE	
CC[C@H](C)NCC1([C@H]2CCC(C)(C)C2)CC=CC1	2223554547	YMJBBSSLQVFCCI-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)[C@H](CN[C@@H](C)CC)c1ccccc1	2223598641	TUOAASBCWZAMLZ-YOEHRIQHSA-N	247.426	4.595	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CCCC[C@H]1C[C@@H]1C	2247151247	TYANBWLDEQXFGW-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC[C@@](C)(N)C1CCCCC1	2247162890	IRWWONZJSLAABQ-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@@H]1CCC12CCC2	2247440369	LGJJRNHZOAWPIM-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CC1CCC2(CC1)CC2	2250356074	OTCHFQNQNZSNCJ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1CCC[C@H](CC)CC1	2250384808	OBYZHJAQCUVGBW-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC1CC(CCC(=O)CCC[C@H]2CC2(C)C)C1	2251760440	CUVLRHUYRYDDRU-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCC=C(C)C)C[C@@H]1CCCCC12CC2	2253821945	RQSIFVDWJJCUGC-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC[C@@H]1CCCCC12CC2)C[C@@H]1CCCN1	2253886822	PBXOMLJCCPRFIV-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCNC[C@]1(CC2=CCCCC2)CC[C@H](CC)C1	2255104462	XEBSHQAZESSDMB-DOTOQJQBSA-N	249.442	4.683	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1CCC12CCCC2	2256143854	HOOQIVHNKGVLEX-CQSZACIVSA-N	247.357	4.523	0	10	BJAE	
CCCc1ccc([C@@H](N)CC2(CC)CCC2)cc1	2256297361	VKHIGYAJQDRFPD-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN[C@@H]1CCC2(CCC2)C1	2257316524	RPCLGBOXKLVTTP-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(N[C@@H](C)c2ccccc2)cc(C)c1C	2258240918	VGKWAQADOQMSGK-HNNXBMFYSA-N	239.362	4.785	0	10	BJAE	
Cc1c(N)cc(F)cc1-c1ccc(C(C)C)cc1	2259632716	YPHYHHMXOYYNMI-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@@]12CCCC[C@@H]1CC2	2260583308	OCDNTBBTAMXGPZ-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CC1([C@@H](N)C[C@@]23CCCC[C@H]2CC3)CCCCC1	2260658137	NCFWCIFOZZEWEO-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(C)(C)[C@H](N[C@@H]2CCC23CCC3)C1	2261400001	FZVAEARQRWZPFV-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@H](C)CC1CC1	2298858558	POJSOXNPSXZNBI-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@H](C)CC1CCC1	2298909332	XJDPOPPOBDOXBA-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)[C@H](C)CC1CC1	2298938883	JRLNUIOKKGFIJQ-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@@H](C)CC2CCC2)C1	2298948218	KNIXPEXWAJQNGV-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC(CC)CC)C[C@@H]1C[C@H]1CC	2300705859	IUISNBWCRBCCLR-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CCC1(O)CCC2(CCCC2)CC1	2300878812	BWSQSKVYOGOWOT-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1ccccc1-c1nc([C@@H](C)C(C)C)cs1	2301906775	CREAKRWBZOIGDE-LBPRGKRZSA-N	245.391	4.878	0	10	BJAE	
CCCCCC[C@H](NCC)[C@@H](C)[C@@H](C)C(C)C	2301953077	NCEJQSCAXZDCQK-JYJNAYRXSA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)C1CC(CCC2(N)CCCCC2)C1	2302560907	AZHUEFPUPFGALY-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC(C)=C(C)C1)c1cccs1	2303594855	MIIKWBZPTVZDDY-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
C1CCCC(CCN[C@H]2CCC[C@@H]3CC[C@H]23)CC1	2309518211	ROFHWUJJWRBDOH-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@]12CCC[C@@H]1C2)C1CCCCC1	2310387531	YTVLYMHBSCMHGR-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@@]12CC[C@@H](Nc3ccc(C4CCC4)cc3)[C@@H]1C2	2310554822	MRZBBNPARHRVNJ-BBWFWOEESA-N	241.378	4.555	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H]1C[C@@H](C)Nc2ccccc21	2311573214	DYRVOEUTYRYJKW-APIJFGDWSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)C[C@@H]1C[C@H]1C1CCCCC1	2311608796	YVEKDPYLCSSXKK-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2313322895	PUFRIOTXZLYSOS-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCCCCN1CC12CCC(CC1)CC2	2313614226	HWLFVRWFPFEKCV-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCc1cc([C@H](O)C[C@@H](C)C(C)(C)C)ccc1C	2314702814	QPQYNJDFWAKNRL-CZUORRHYSA-N	248.410	4.663	0	10	BJAE	
CC(C)c1ccc([C@H](C)NC2[C@@H](C)C[C@@H]2C)cc1	2316714091	CZTXRFIMUDJEON-IHRRRGAJSA-N	245.410	4.505	0	10	BJAE	
C[C@](N)(CCC1CC1)C[C@H]1C[C@H]2CCC[C@H]1CC2	2316885297	PZAPOPVDQSNSBW-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C1CC(=C2CCC2)C1	2317012507	HWNNYTKISAQHHN-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CCC1CCC(N[C@H]2C[C@H]3CCC[C@H]2CC3)CC1	2317013693	RYVNDOFFOXPYFI-QDZBGDLPSA-N	249.442	4.514	0	10	BJAE	
NCC1(CCCC2=CCCCC2)CCCCCC1	2318593626	WTNDKJCMAXDXCW-UHFFFAOYSA-N	249.442	4.956	0	10	BJAE	
CNCC1(C[C@H]2CCC(C)(C)C2)CCC=CCC1	2319066544	JMIUTIAVWYIXHD-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](N[C@H]2[C@@H](C)[C@@H](C)CC[C@H]2C)CC1	2320234902	YQACCXYHVROVHG-GMBUGEKQSA-N	249.442	4.536	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(CN)CCC[C@@H](C)C2)CC1	2320348636	SERBKOGUYASBBS-KBRIMQKVSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2CCC(C)=C(C)C2)C1	2320410670	AMMNOQDTQXTTBZ-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](CNCC2(CC(C)C)CC2)CC1	2320413582	UHGULKNKVIKLFB-INIZCTEOSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@]2(C)CCCC[C@@H]2C)CC1	2320417952	ZUNYXIMLNRSQDQ-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)c1cccc(C(C)C)c1	2320518606	REIIVKRVXGDIDQ-PBHICJAKSA-N	247.426	4.882	0	10	BJAE	
CC[C@H](Nc1ccc(C)cc1F)c1cccs1	20371195	JSCBLUDCBDOZKX-LBPRGKRZSA-N	249.354	4.759	0	10	BJAE	
CCC[C@H](C)CNc1cccc(C(F)(F)F)c1	21059612	RAAIIRZAMATBIU-JTQLQIEISA-N	245.288	4.554	0	10	BJAE	
Clc1ccnc2c(-c3ccccc3)cccc12	35731102	HDKOEYQQSLBEMI-UHFFFAOYSA-N	239.705	4.555	0	10	BJAE	
CC(C)c1cc2c(nc1Cl)[C@H](C)C[C@H](C)C2	49829115	XDWJVFXHZHUEHS-VHSXEESVSA-N	237.774	4.544	0	10	BJAE	
CC1=C[C@H]2[C@H](CC1)C(C)=CCCC2(C)C	59778576	PUWNTRHCKNHSAT-KGLIPLIRSA-N	204.357	4.725	0	10	BJAE	endogenous,in-man
CCCC[C@H](CC)NCC1CCC(CC)CC1	69377997	ZWYYFUZJKVARND-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(Nc2ccc(Cl)cc2)CC1	70653822	RFKCZGFSULYOOL-UHFFFAOYSA-N	237.774	4.721	0	10	BJAE	
CCCC[C@H](CC)CCC[C@@H](O)C(C)(C)C	70779565	UNVMCXTWQFGCPB-UONOGXRCSA-N	228.420	4.780	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@]1(O)CCC[C@@H](CC)C1	71126985	NXRCEIXWISUYOZ-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@](O)([C@@H]2CCCC[C@@H]2CC)C1	71126987	NXRCEIXWISUYOZ-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Oc1cc(C)cc(C)c1	87439606	SSIQZNKGGMTJFQ-ZBFHGGJFSA-N	232.367	4.651	0	10	BJAE	
CC[C@@H](C)[C@H](NC)c1ccc(C(C)(C)CC)cc1	90483218	JMSVVKXZNLKFGK-CJNGLKHVSA-N	247.426	4.681	0	10	BJAE	
CNc1cc(C(C)C)nc2ccc(C(C)C)cc12	104009949	WDTBDBXYWJBXIJ-UHFFFAOYSA-N	242.366	4.523	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)CC1CCCCC1	104012623	VTLNYTMCCPPOHB-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C/C=C\C[C@H](CC)c1ccc(Cl)cc1	107561759	HPVLJQMEDRLQPI-MZBZXASESA-N	208.732	4.800	0	10	BJAE	
CCC(C)(C)C1CCC(NCC(C)(C)C)CC1	109774619	LVEKNDPARRGRTI-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C)NCC1CCC(C)CC1	109963465	LBXMIXMWDUTNBO-HWOWSKLDSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)c2ccc(C(C)(C)C)cc21	113613751	HRVHRJCFONRTHL-MLGOLLRUSA-N	245.410	4.532	0	10	BJAE	
CCC(CC)C[C@@H](NC)c1ccc(C(C)C)cc1	148208167	VGXQGNFCTCNZEC-QGZVFWFLSA-N	247.426	4.897	0	10	BJAE	
CCCCC[C@@H](NC)c1ccccc1C(C)(C)C	159714811	XYFGFMNBNYKLBQ-MRXNPFEDSA-N	247.426	4.825	0	10	BJAE	
CCNC[C@@H](CCCC(C)C)c1cccc(C)c1	166088754	YNHLUHFNFIIOQB-QGZVFWFLSA-N	247.426	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@](O)(CC(CC)CC)CC1	167644690	ILVILTCGJCPESQ-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)c2ccccc2C2CCC2)C1	168876939	OMBGLAJIMAAJGQ-OCCSQVGLSA-N	242.362	4.573	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@@H]2C(C)C)c(F)c1	214483741	BMDIFJMUQPYWIH-HIFRSBDPSA-N	249.373	4.761	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCC[C@H]1C(C)C	214917793	PPOHFMLMRQXLPU-HOTGVXAUSA-N	239.447	4.760	0	10	BJAE	
Cc1cccc(F)c1N[C@H]1CCCC(C)(C)C1	224986114	GTRGTZSRABLRHP-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CC(C)(C)C[C@H]1C	233404663	PSCANUMDJAHBRC-CZUORRHYSA-N	245.410	4.876	0	10	BJAE	
CC(C)(C)[C@@H](F)c1ccc(Br)cc1	258818064	KTQZONNDSJUPCP-JTQLQIEISA-N	245.135	4.506	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)C1=CCCCCCC1	300136807	RYLCXIKDIUOJOJ-GOEBONIOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](O)CCCC(C)(C)C	302264954	FZWAAPUHFPZTEZ-JKSUJKDBSA-N	248.410	4.758	0	10	BJAE	
CCCCCC[C@@](O)(CCC(C)C)C1CC1	304341034	OVNYDZIWXXHZID-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCC[C@](C)(CCC1CCCCC1)CNCC	305927871	JDXDOVVJMWYYTK-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCNC[C@@H](C[C@@H](C)CC(C)C)C(C)(C)C	306014979	XHIDSFGYZDXWOJ-LSDHHAIUSA-N	241.463	4.721	0	10	BJAE	
CCOc1c(Cl)c(Cl)cc2sccc12	306533704	CZZBRHHSSUUSJD-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CC(C)(CNCC1CCCCCC1)C1=CCCC1	308756132	MWVCJMOQLMEZPR-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC12CCCCC2)C(C)C	313112082	MEGQRDKYVLTWQR-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](CCC)C1CCC1	322839969	LBGOCBUCMKRYSN-HOTGVXAUSA-N	239.447	4.904	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H](C(C)C)C1CCC1	324895429	HBRGHKWJHYZATR-CWRNSKLLSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](C[C@H](O)CC1(C)CCCC1)c1ccccc1	381167006	AHCMLWKUOMELTC-HOCLYGCPSA-N	246.394	4.512	0	10	BJAE	
CC(C)CCCCC[C@H]1Cc2ccccc2N1	383101924	FQLVNGUDKCNDMJ-HNNXBMFYSA-N	231.383	4.630	0	10	BJAE	
CCC1CCC(NCCC2(C)CCCC2)CC1	383625524	WDDVURZOLJKSBG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](n2ccc3ccc(F)cc32)C[C@H]1C	384621944	RIMKJBBAJMYNAR-LALPHHSUSA-N	245.341	4.778	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C1CCCCCC1	384884727	VYYGRHJPNYKOJU-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)[C@@]1(CCC2=CCCCC2)CCCCCN1	385159334	LDEPJBHXRYAZCN-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1CCC[C@H](CCN[C@H]2CCCC23CCC3)C1	394853269	GVJDILDDMRMFSE-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)c1occc1C	395303617	BSYLLZJSYBPCDO-HNNXBMFYSA-N	247.382	4.519	0	10	BJAE	
CCCCCC(=O)c1cc(Cl)c(C)cc1F	395833834	BELVQRZSHFDIBO-UHFFFAOYSA-N	242.721	4.551	0	10	BJAE	
Cc1cc(C(F)(F)F)cc2scc(S)c12	396311323	VOMLTFYZWPXZTO-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCN[C@H](CCC1CCCC1)CCC1CCC1	398648813	ASBOYKNRVQZJIW-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)[C@@H](C)C(C)(C)C	399255514	GWKNCROKQMZDQR-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CCC(C)(C)C1CC1	406090214	YBCBEURILSZQDV-UKRRQHHQSA-N	240.431	4.636	0	10	BJAE	
CN[C@@H](CCCC1CCC1)c1ccc(C)cc1C	688396903	GOQFSYZMEATVDY-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCN[C@H](CCCC1CCC1)c1coc(C)c1	688416370	VFYUBYKKIZXDFU-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
C[C@H](CC(=O)CCCC1CCC1)C(C)(C)C	688895350	RXJLKDHFMAJCLC-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1[C@H](O)c1cccc(C(C)C)c1	688983509	OONNFGWZXUZVLT-BRWVUGGUSA-N	246.394	4.526	0	10	BJAE	
CCCCCCNc1cccc(SCC)c1	689694350	KZUFEWYDDGYOKL-UHFFFAOYSA-N	237.412	4.791	0	10	BJAE	
CCCC[C@H](C)[C@H](O)c1ccc2sccc2c1	691831545	UFSKKKAGLZGCKO-NHYWBVRUSA-N	248.391	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1N[C@H]1CCC12CCCCC2	693806183	PMLHUKQLJYNEBM-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)[C@H](C)NCC1CCCCCCC1	695099951	QULZPPPAKMIQSI-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@@H]1CCCC[C@H]1C1CC1	695837530	KQIQDERRAKIZTF-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)CC(C)(C)CC	697825707	BRXHZTNVHOUCEK-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCN[C@H](c1cc(C)cs1)C(C)(CC)CC	701191068	ODADZYIYPBWAOV-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)CCCC(C)(C)C	704469919	CISZGUGNDSPXCH-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCc1ccc([C@](C)(N)CCC(C)(C)C)cc1	704860164	JKDAMMOGWYRVPR-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H]1CCCC12CC2	706211955	DHJFPIOVNNWFOA-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C)c1ccc(NC2CC(SC)C2)cc1	706854752	DKQPDIRMOCBGAW-QGLTVNCISA-N	249.423	4.506	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1NCC[C@@H]1CC=CCC1	706867298	GWDBKWPXPWXNMI-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NCC[C@H]2CC=CCC2)C1	706867305	GWTOGLIXNFUNFJ-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H]([C@H](C)CC(C)(C)C)C(C)(C)CC	708286815	MNQWDLVXLINPCI-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H](C)CC(C)(C)C	709119733	UQQWKVAZTQAYPA-ZDUSSCGKSA-N	246.394	4.894	0	10	BJAE	
C[C@@H](Cc1ccc2c(c1)CCCN2)CC(C)(C)C	709150890	CHZLRLHLVKSANR-ZDUSSCGKSA-N	245.410	4.660	0	10	BJAE	
CC[C@]1(C[C@@H](C)CC(C)(C)C)CCCCCN1	709195424	ZXJVSNGAHICSIN-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(N[C@H]2C[C@@H](C)CC(C)(C)C2)cs1	710760960	VWGPQONENXXZJJ-PWSUYJOCSA-N	237.412	4.683	0	10	BJAE	
CC(C)[C@@H](CNC(C)(C)C)C[C@@H](C)C(C)(C)C	711176740	SVMAAIVCNCWOTD-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@H]1C[C@@H]2CCCC[C@@H]21	712471544	ILJKRAIJHBARLM-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cccc(Cl)c1C	713199361	KTLAVRHNNIVNLF-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCC(C)(C)CC1(CNC2CC2)CCCCC1	713252009	QADALNDSOBUOEQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC([C@H](CC(C)(C)C)NC)CC1	713264207	MYPVLCIOABJEFP-NRXISQOPSA-N	239.447	4.617	0	10	BJAE	
C=C/C=C/CC[C@H](C[C@@H](C)C(C)(C)C)NCC	713688564	WTWJTMGZVVCTJZ-SXKCSBRWSA-N	237.431	4.559	0	10	BJAE	
CC(C)c1cccc(C=O)c1CC1CCCCC1	725421418	SKEVLAKKADFRJM-UHFFFAOYSA-N	244.378	4.745	0	10	BJAE	
CC(C)[C@H](C)SCC[C@@H]1CCC[C@@H](C)C1	1613581178	CEMQFAWRNMTUKQ-RDBSUJKOSA-N	228.445	4.981	0	10	BJAE	
CCCC[C@@H](CC)CN1[C@H]2CC[C@H]1CC1(CC1)C2	1620435443	YAOIDRDYRMJAPK-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CCCCCCN(C)C[C@H](C)C1CCCCC1	1644109020	GTVZVFLQHKIDFJ-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CCC(CC)c1cscc1C(F)(F)F	1889481331	RFTZSWLVOKSLBB-UHFFFAOYSA-N	222.275	4.671	0	10	BJAE	
C/C=C/CCCC[C@](C)(F)C(C)(C)F	1893738410	DPUUEGWYPSUEPJ-FYJFLYSWSA-N	204.304	4.599	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CCC(CC)CC	1900700750	BMOQFGNDOVBCBP-HUUCEWRRSA-N	227.436	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(CC)CNC(C)C	1905434482	ZBFZZUNKNUBCAA-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
C=CC=CCC[C@@H](NCC)c1cccc(Cl)c1	1912113366	YUSWRZPMTZMRSO-OAHLLOKOSA-N	249.785	4.513	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@H]1CCC2(CCCCC2)C1	1915854997	MXEHPCDNDFHFGQ-ZNMIVQPWSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@](N)(CC)c1ccc(C)cc1	1920448223	IJDMZXKWZNZNFP-KRWDZBQOSA-N	247.426	4.775	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C1CC(CC)C1	1921261358	ISQLVCMFRBRVJN-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)[C@H](C)C2CCCCC2)c1	1924136634	UJBAYVULWJHAIS-PBHICJAKSA-N	245.410	4.520	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)CC2CC(C)C2)cc1	1926945401	NEYUGXROSNDUBP-VSUJBEPISA-N	246.394	4.670	0	10	BJAE	
CCC[C@H](C(=O)c1ccc(CC)s1)C(C)C	1936208725	IMGGWAQSEICHDI-LBPRGKRZSA-N	238.396	4.566	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CCC(C)(C)C2)n1	1938014346	XZFBCDCLMKXZAZ-WDEREUQCSA-N	237.412	4.950	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cc(C)cc(Cl)c1	1939678549	DWAITLYYQYKGCZ-RISCZKNCSA-N	240.774	4.508	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)CC1(C)CCCCC1	1940416160	PPMSHPRFCLAOEC-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CC[C@@](O)(CCC[C@H]1CC1(C)C)C1CCCC1	1940873729	CYQWCNCIQZEXDR-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](C)c2cccc(N)c2)C1	1940976677	OLKPFSPTAVECGJ-MGPQQGTHSA-N	231.383	4.589	0	10	BJAE	
CC(C)NCCCC1CCC(C(C)(C)C)CC1	1941144917	SOHACYWMRWXUCW-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H](CCC)C(C)C	1941272760	MTZLEYYXBURMOW-CVEARBPZSA-N	237.431	4.559	0	10	BJAE	
CCC(C)(CC)CN[C@H]1C[C@H](C)CC(C)(C)C1	1941357316	HSRBFLLIZXCBKP-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@H](N)CCCCCC1CC1)C(C)(C)C	1941587174	PWUDGPDSTDDLNU-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1CCCCCC1CC1	1941687188	HQWFKQYRURTIAW-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C1(C)CC(C)(C)C1	1941985269	HRMXCGDINGGRHV-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC(C)C)C(C)(C)C(C)C	1944669354	YQFOVPYPMJRAPF-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1CCC[C@H]1C)C(C)C	1944843236	QDXXXNLOVDFRGX-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCCCC1CCC(C(=O)[C@H]2CC2(C)C)CC1	1945904480	JKFLPTJJPSFZPC-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@]1(N)CC[C@H]2CCCC[C@@H]21	1946367650	RMEIGSQZCPKLRE-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@H]1CCC	1947469674	RKBRICHTIWBDKQ-ARFHVFGLSA-N	239.447	4.891	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)[C@H]1CCC2(CCCC2)C1	1949402595	LNXJEXIXLQLJRM-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](NC)[C@@H]1CCC(C)(C)C1	1949552311	QFZKHRLMLACYID-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC[C@@H]1CC1(C)C)C(C)(C)C	1949830926	PEKCHCAVJXIGAY-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@H]1CCCC(C)(C)CC1	1950923244	SHRDQNDIRHZXAD-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CN(C)[C@H]1CCCCC1(C)C)C(C)(C)C	1970181991	VBLSREHCXIYVTE-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)NCc1ccccc1C(C)(C)C	1970465399	PXGBNJYTDBQZIF-HNNXBMFYSA-N	247.426	4.652	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H](C)CCC1CC1	1975843973	ZYZVAWUCSPMJRD-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCCCN(CCCC)C1CCCCCC1	1978896287	LZJAHYMQVPNZSA-UHFFFAOYSA-N	225.420	4.611	0	10	BJAE	
C[C@@H](CC[C@@H](N)c1cccs1)CC(C)(C)C	1980687892	RBRIPVOAWVXYCE-NWDGAFQWSA-N	239.428	4.600	0	10	BJAE	
C/C=C/CCCC(=O)[C@H](CCC)CC(C)C	1984594116	YTWBSASAPSBECK-HZRUHFOJSA-N	224.388	4.764	0	10	BJAE	
CC=CCCC[C@H](NCC)C(C)(CC)CC	1984618091	HRPVBDAVFIVYPS-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
C[C@H]1C[C@H](NC2(C)CCCCCC2)CC[C@H]1C	1995826808	NYHGFHAPQPYEGO-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCC2CCC2)CC1	1997104910	LCLYILMJLXDGSM-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CN(C)[C@H]1CCC[C@@H](CC)CC1	1997205322	MMNMQPITTGAHBP-CVEARBPZSA-N	239.447	4.713	0	10	BJAE	
CCCCCC[C@H](O)CC1CC(C(C)(C)C)C1	1998257715	HVOBMACRVYSWQP-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1CC1(N)CCCCCCCCC1	1998584936	MGOPGBFZRBEBEZ-FICVDOATSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H]1Nc1ccccc1SC1CC1	1998742398	MZZJGGIWBFHLMS-WCQYABFASA-N	247.407	4.542	0	10	BJAE	
CCN[C@H]([C@@H]1CCCC(C)(C)C1)C(C)(C)CC	2000038331	OPJOOGSGWQYNLQ-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC(C)C)C[C@@H](C)C1CCC1	2000498753	CNKHWLNVPSPMBQ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@H](O)C2CCC2)CC1	2003099891	NVMLEOWSVXBWHA-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC1(C[C@@H]2CCCCCCC[C@@H]2O)CCCC1	2003120529	ZVVXCFCVTPXUMI-GJZGRUSLSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@H]1C[C@@H](C(CC)CC)C[C@@H](CC)C1	2006623621	KTBVLYQJFCYTNF-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC1(CC)CCC(N)([C@H]2CCC[C@H]2C)CC1	2006754322	JIOFOFQNOLKEFM-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](Nc1ccc(CF)cc1)c1cccs1	2007030696	GTXSHPPOUPKMJW-CYBMUJFWSA-N	249.354	4.781	0	10	BJAE	
CC(C)C1CC(CC(=O)[C@H](C)CC(C)(C)C)C1	2007765964	PGBBZIVVSDXKSC-IYXRBSQSSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@@]1(O)CCCC12CCCCC2	2009592676	ZSKIZUCJVKOLRH-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@H](NC)C1CCCCCCC1	2009633693	BEPTWSRUMAHUTO-QDLOVBKTSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](C1=CC[C@@H](C)CC1)c1cccs1	2010624010	PWKDDDARDAOOHI-DOMZBBRYSA-N	249.423	4.535	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)C1=CCC(C)(C)CC1	2010727484	XPBFCJCEWAHQKL-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)NCCC12CCC(CC1)CC2	2012788480	NKUANWCSNCJGPA-FHERZECASA-N	237.431	4.515	0	10	BJAE	
CCC(CC)C(N)(C1CCCC1)C1CCCC1	2013224091	VYPFXIYWSHMJTN-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC)c1sc2ccccc2c1C	2014291321	KVNNBMGSXLTYHB-ZDUSSCGKSA-N	247.407	4.660	0	10	BJAE	
CC(C)C(C[C@](C)(O)C1CCCCC1)C(C)C	2015285021	SFRRHUWEQMEIAI-INIZCTEOSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C[C@H](C[C@H](C)C(C)C)NC)C(C)(C)C	2015289483	CAYXVBNCWBWAPT-ZNMIVQPWSA-N	241.463	4.719	0	10	BJAE	
Cc1cc([C@@H](O)CCCCCC(C)C)oc1C	2015325871	IQDHMVQCPUFNKJ-AWEZNQCLSA-N	238.371	4.536	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CCC(C(C)C)C(C)C	2015345151	OGIMJVKXLJLCHP-GDBMZVCRSA-N	241.463	4.848	0	10	BJAE	
CC(C)C(CC(=O)[C@@H]1CCC[C@@H](C)C1)C(C)C	2015380044	RENNLDCRNDDRPI-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CCCNC[C@@H](CCC)CC(C(C)C)C(C)C	2015411582	GPYIDJZTVWBARQ-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC1(CCC)CCC1	2015634993	UXAZVORBGWVYDE-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
c1cc2cc(NC[C@]34CCC[C@@H]3C4)ccc2s1	2016322972	YMJFAELRJVHYAN-IUODEOHRSA-N	243.375	4.503	0	10	BJAE	
CC(C)(C)C1(C[C@](C)(N)CC2CCC2)CCC1	2017139380	UWUIKGSKOXPHGP-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC1(CCC)CC1	2018997174	XOVCZVUBPMNNEQ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@H](C)CCC	2018997584	BZMRYQKONDXYEW-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCCCN(C)CC1(C(C)(C)C)CCC1	2019293943	SFKPNSYNEKQDHL-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCC[C@H](C)N(C)[C@@H](C)[C@@H]1CCCC(C)(C)C1	2019305105	FHOLIEZTIYTGHU-SOUVJXGZSA-N	239.447	4.712	0	10	BJAE	
CCCC(CCC)C(=O)CCC[C@H]1CC1(F)F	2019592367	XAGKALGZSJTGPL-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H]2CCCC(C)(C)C2=O)C1	2020396554	LMBLXSVCMMVPAU-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCN(C1CCCCCC1)C1CCC(C)CC1	2020506423	QVFGATBFFHCACE-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CNc1cccc2ccsc12	2022479627	DMWDVDVAPIDVNP-CHWSQXEVSA-N	245.391	4.605	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@](C)(O)C2(C)CCC2)C1	2024126945	ZGAADSVNYNKCKH-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC1CC(CC(=O)C[C@H]2CCC[C@@H](C)C2)C1	2025426734	KNTCKLFJPAXSON-JLVJUDLZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](NCC2CCCCCCC2)C1	2025588594	VGDYHJLFAHEONH-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](N)(CCCC1CCC1)c1ccccc1	2028483586	DJUUSKWFRAEEGH-KRWDZBQOSA-N	245.410	4.611	0	10	BJAE	
CC(C)C[C@@H]1CNCCC1=CC1(C)CCCCC1	2032490505	MGZKSLIWJFVWJD-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
C1CCC(C2CC(NCCCC3CCC3)C2)CC1	2033831266	VFVGUXWIENVJFB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)C[C@H]1CCCC[C@H]31	2034148077	QSXUAKZVCUNTMF-OLZOCXBDSA-N	239.362	4.615	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)c1ccc(C(C)C)cc1	2035425707	ACARVMVSVRLNCZ-WBVHZDCISA-N	245.410	4.564	0	10	BJAE	
CC(C)NCC1(C2CCCCCC2)CC2(CC2)C1	2036198167	RYEWPSGJOVJTJM-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@@H](C)[C@@H](C)CC(C)C	2036385177	UHSRRQWFLCVQPO-HRCADAONSA-N	247.426	4.716	0	10	BJAE	
CCCC1([C@H](N)c2cc(C)c(C)cc2C)CCC1	2037086725	QRIAMPGHCIATEF-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
C[C@@H]1CC[C@@H](N(C)[C@@H]2CCC3(CCCCC3)C2)C1	2037678601	LXPUWRNCPAFCRS-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
CCN[C@H](CC[C@@H]1C=CCC1)CC1CCCCC1	2038164649	HTAFPDJZXIHXAN-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1(CC[C@](C)(O)c2ccccc2)CCCCC1	2038170859	KOBWYSPJCWHEAT-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CCC(CC)[C@]1(CNC2CC2)CC12CCCCC2	2039006109	NCFKTYURRIZHRY-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@]1(C[C@H]2CC23CCCCC3)CCCN1	2039089456	SVNCKFHGHKEWET-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CC(C1CC1)C1CC1)C1CCCCC1	2040651259	QFGIOGPXZWEEMF-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2CCCC3(CCC3)C2)[C@@H]1C	2041291215	XLALFVNIOJAMGY-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C1CCC(C)CC1)[C@]1(C)CC=CCC1	2042023804	FQCVRXPNOMLSLY-BHUNQDJPSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@]2(C)CC=CCC2)c1	2042093148	DDTYCWJJBZCPTJ-KRWDZBQOSA-N	242.362	4.739	0	10	BJAE	
C[C@@H](N[C@@H]1CCC2(CCCC2)C1)C1CC(C)(C)C1	2043547275	OTDRJBCFURNLGH-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCC=CCCC2)CC1=O	2045309746	JHYJGFVALVLCIK-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
Cc1cc(C)cc(NC[C@@H]2CCC=CCCC2)c1	2045330404	VUGGQQLUNULQIK-MRXNPFEDSA-N	243.394	4.852	0	10	BJAE	
Cc1ccc([C@@H](N)[C@@H]2CCCC(C)(C)C2)c(C)c1	2045505280	MXNKSNXTKZMACE-ZBFHGGJFSA-N	245.410	4.520	0	10	BJAE	
CCCC1([C@H](C[C@@H]2CC23CCCCC3)NC)CC1	2047017272	UOSMKKMVIVOFTO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@H](N)[C@@]1(C)CC=CCC1)C1CCCCC1	2047682737	AKKWMRZALPNTPD-XIRDDKMYSA-N	249.442	4.667	0	10	BJAE	
CCCc1ccccc1NC[C@]1(C)CC=CCC1	2047726819	RBXVELNPRVJYNO-QGZVFWFLSA-N	243.394	4.797	0	10	BJAE	
CC1CCC(C[C@@H](N)C[C@H]2CCC23CCC3)CC1	2047933536	USFSLZSRIJLLJQ-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
C=CC=CCCN(C)[C@@H](C)[C@H]1CCCC(C)(C)C1	2049508729	MXMOJTNWVAPTHP-HOTGVXAUSA-N	249.442	4.655	0	10	BJAE	
C1CCCCC(NCC[C@@H]2C[C@H]2C2CC2)CCC1	2049681852	QAEIDGIEMOMIHZ-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(CN[C@@]23CCCC[C@@H]2CCC3)C1	2050109368	ZOIZRQXBKKVGQU-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@H](N)CCCC[C@H]1CC1(C)C	2050456560	RSXINRKBJXEWQD-GOEBONIOSA-N	245.410	4.601	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)c2cccc(F)c2)C1	2050495987	ZXBYQIVEQVVULW-CHWSQXEVSA-N	248.341	4.615	0	10	BJAE	
CCC1(CC)CCC(N)(CC2C[C@@H]3C[C@H]3C2)CC1	2051594901	LFZOFGBYWBMHAI-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
C1CCC([C@@H]2CCCCN2CCC2CCC2)CC1	2051677448	KEIUHCLZWLAOCS-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CN[C@@H](CCC1CCCC1)[C@@H]1CCCCC12CC2	2053412960	RLMJOWGBLYXCGD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H](N[C@@H]2C=CCCC2(C)C)CC(C)(C)C1	2055533973	YEEKJABDTCAVAR-QLFBSQMISA-N	249.442	4.536	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc(CCF)cc1	2055675165	VEYURKWUUABQSJ-HOCLYGCPSA-N	249.373	4.579	0	10	BJAE	
CC(C)(CCC1CC2(CCC(N)CC2)C1)C1CC1	2056619139	PGVLGZPRFXRRCU-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C(=O)CC2CC(C3CCC3)C2)C1	2056666083	MFPJMOVYWSWLFS-BLZCZZARSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@]1(CC2CC3(C2)CC(C)(C)C3)CCCN1	2058480497	NLZCKLKLNQXZEG-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@@H](C[C@H]1CCC12CCC2)NCC	2059246507	DGQSBZKIIMMPPS-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2059392950	YSGMVRGESJAMTD-CUQMJCILSA-N	249.442	4.514	0	10	BJAE	
CCCC1CC(N(C)[C@H]2CCC3(CCCC3)C2)C1	2059479785	OMLHLFHQLSSVJN-PCKAHOCUSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)C2(C)CCC(C)CC2)CC1	2061087483	GGKOODDQXQBGOQ-BYLPVYNFSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(C(C)C)CCCCCN2)CC1	2061099516	PQRMRWUKOXXFNP-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC([C@H](NC)C2=CCC(C)(C)CC2)C1	2061140432	NJKRWPOOPLQAKK-ISXOHVOVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C(CC(=O)c2cccc(C)c2)CC1	2061198036	YXMNRKNXQKCLAH-CQSZACIVSA-N	242.362	4.704	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H]1CCC[C@@H]1C(C)C	2061559068	ZVJWKTUJMJYAOO-ZACQAIPSSA-N	249.442	4.548	0	10	BJAE	
C=C=CCC[C@H]1CCCCCCC[C@@H]1NCCC	2061564322	YJVCBGIYFLZKSW-IRXDYDNUSA-N	249.442	4.836	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC[C@@]23CCC[C@@H]2C3)C1	2061598329	XZSMBQKPJBEKIV-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC[C@]23CCC[C@H]2C3)C1	2061598331	XZSMBQKPJBEKIV-ZQIUZPCESA-N	248.410	4.742	0	10	BJAE	
CCC[C@@]1(CC2CC(=C3CC3)C2)CCCCCN1	2061722603	LLDRBFPPLDECAK-KRWDZBQOSA-N	247.426	4.579	0	10	BJAE	
C1=C[C@H](N[C@H]2CCCCCC23CC3)CCCCC1	2062017670	AXGWXEKFLIVGOT-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
C/C=C/CCCN[C@@H](CC)c1ccc(CC)cc1	2062372083	NAYPIJQPQZIFAZ-PFWMLDTASA-N	245.410	4.646	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC23CCC(CC2)C3)C1	2065276246	BLTYWXAWESCXKW-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C(=O)CC12CCC(CC1)CC2)C1CCC1	2065286251	OUBLUJSTLITKRD-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C1CCCC([C@@H]2CCCN2C2CCCCC2)CC1	2071969633	UTJWGLMXSYFGQW-KRWDZBQOSA-N	249.442	4.754	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2CC[C@@H]3C[C@H]3CC2)CC1	2072879362	TVAZBEQDMIXYCO-RRCSTGOVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@@H]2CCCC3(CC3)C2)C1	2074894168	ZNYAGFXHKWICMR-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCC[C@@H]1C1CCCC1	2074897794	YHDHMKSBQSRKSY-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
CCNC[C@@]1([C@@H]2C=CCCCC2)CCCC1(C)C	2075374256	WAMIDOWTIVJZHA-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC(C)[C@H]1CCC[C@H]1Nc1ccccc1C1CC1	2077261746	DHNRRXAXRGPYHI-GDBMZVCRSA-N	243.394	4.801	0	10	BJAE	
CCCCc1ccc([C@](N)(CC)CCCC)cc1	2078008159	SCLBPPRKENPADW-KRWDZBQOSA-N	247.426	4.783	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2C[C@H]2C2CCC2)CC1	2079330430	YJNNGNGSYNBQAN-UAOKOLBASA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC=C(C)C)[C@@H]1C[C@@H]1C1CCCC1	2079429818	ZOLQOJHFZDKKHV-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@H]1C[C@H]1C1CCC1	2079439230	MXZRLWASBOOWMH-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1C[C@@H]1C1CCCC1	2079840567	CVNZCQRLYBXFPE-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)C1CC(=C2CCC2)C1	2079855684	ZMFPXZSVOQDWGK-ZFWWWQNUSA-N	246.394	4.518	0	10	BJAE	
CC1CCC(C(=O)C[C@@H]2C[C@@H]2C2CCCC2)CC1	2079865616	PCLSZTUSCHVHAB-DISOXQEGSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C[C@]2(N)CCC[C@H]3CCCC[C@H]32)C1	2081133690	RPAOGJLGZHOQPX-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@@H](C)NC[C@H](C)C(C)(C)C	2081209551	QXOIGSBGSACKHT-UONOGXRCSA-N	247.426	4.582	0	10	BJAE	
CC(C)CC[C@](C)(O)c1cccc(C(C)(C)C)c1	2083542697	ZLOFRQPEWGIBFZ-KRWDZBQOSA-N	248.410	4.628	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)C1=C[C@H]2CC[C@H]1C2	2086059095	DIIRYFVOVUXRNP-QBYUYEEZSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](CC)Oc1cccc(C)c1C=O	2086299313	XDFSUTSGECUZJB-CQSZACIVSA-N	248.366	4.545	0	10	BJAE	
CCCCC[C@@H](CCCCC1CC1)NCC	2211120990	QSWHZKXMWKKWKI-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCC(C)(C)CCC[C@@H](N)C1CCCCC1	2211237966	DTQAZFRNQYTCCD-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CC[C@@](N)(CCCCCCC1CC1)C(C)(C)C	2213571023	CGQXMERMQOFDSU-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CC1(C)C[C@]1(C)[C@H](N)CCCCCCC1CC1	2213575800	JITNRYQIHLXHBS-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CC2(C)CCCC2)CC1	2215822786	BHIDWKVQGHGDCW-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)CCC[C@H](C(C)(C)C)C1	2216247431	MCNWQZAHLRHLFW-RZLSGREXSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C(=O)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216747983	RSWKQNBLXGJXGA-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
C(CCCNCCCC1CC1)CCCC1CC1	2216884544	WHHNPSHZQDICLB-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC1=C[C@@](O)(CCCCCCCC2CC2)CC1	2216898274	LKQJHGQTGNARCS-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@](C)(CN[C@H](C)CC)C1CC(C)(C)C1	2217125276	NXXIGTAQMYAHSP-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@]1(CN[C@H](C)CC)C=CCC1	2217126273	AHOXKXWIHNEPKQ-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(OC[C@H]2C[C@H]3CCC[C@H](C3)C2)cc1	2218328439	TVSUDQIPPMZLJS-MUJYYYPQSA-N	244.378	4.590	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218349342	GLWDNQMYLLETCN-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CC2C[C@H]3CCC[C@H](C2)C3)C1	2218357264	QDVMTHBQTUEONN-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218373422	JCAXDMUOWSOZPF-QRJUGERDSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCCCC1CC1)C[C@H]1CCC12CCC2	2220024632	HTFJOLPDRNZYKN-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C1CC[C@H]([C@H]2CCC[C@@H]2CCCCC2CC2)NC1	2220042338	SQIXGKFQIQYHNM-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@]1(CNC(C)(C)C)CC=CCC1	2220670910	HXENIMKXOAEIJA-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](C)(N[C@@H]2CCC3(CCCC3)C2)CC1	2221601638	OEZRFRIKIDGIIX-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CCCCCC[C@@]1(CNC2CC2)CC=C(C)CC1	2221654798	PLIQQLBSTNOEKG-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@H](C)c1ccc(C)cc1	2223964834	ZQPZVOUGMFQUGJ-NVXWUHKLSA-N	247.426	4.513	0	10	BJAE	
CC(C)(C)C1(C(=O)CC2=CCCCC2)CCC1	2247453610	BJVDFBOCPZRZSF-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC2=CCCCC2)C1	2247505899	AZNDQOTUAYIBMH-HIFRSBDPSA-N	234.383	4.662	0	10	BJAE	
O=C(CC1CCCC1)c1ccc(C2CCC2)s1	2250278106	GRBCIIBWOFXVCK-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(N)C1CCC1	2250482939	XVIOHEOMWDCNMJ-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251707569	MTBJFUVHCWOLCI-RWMBFGLXSA-N	238.415	4.700	0	10	BJAE	
CC1CC(C)(C[C@@]2(N)CCCCC23CCCC3)C1	2253658651	RBBWBZYKTWTVOU-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CC=CCCC[C@H](C[C@H]1CCCCC12CC2)NC	2253817423	KTCNLKNUUFFNNV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(N[C@@H](C)CC2CCCC2)cc(C)c1C	2258242316	WKDHYWOUPNXCNV-AWEZNQCLSA-N	245.410	4.993	0	10	BJAE	
CC1CC2(C1)CC(C[C@@](C)(N)C1CCCCC1)C2	2259572304	QMUQEUVRWGVMFU-DZTUWMGKSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC=C([C@H](N)C2CC(CC(C)(C)C)C2)CC1	2261199127	QSFPSFBQQVCOPO-QTISTPMNSA-N	249.442	4.523	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCC1=CCCCC1	2300474271	GTAFBUWKDKMXHC-INIZCTEOSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCC(C)(C)CC1	2300682234	WYCZPCIGHXAIAX-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CN[C@@H]1CCC[C@@H]1CC=C(C)CCCC(C)C	2300901661	LSCCKGQLZVHRTE-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@](N)(CC)CC1CCCCC1	2300902339	TTXLPFNZSVPFFA-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CCNC[C@H]1CCCCC[C@@H]1CC=C(C)CC	2300926417	LQOUVWXQHYXAHY-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)CC1CCCCCC1	2301132219	WZIRQJKLFHTQBR-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](CC[C@H](C)[C@H](C)C(C)C)C(C)(C)C	2301845606	YZVYPLVRJVCSGA-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)NC(C)(C)C1CCCCC1	2301955253	ICKUQRBGNIZALT-UONOGXRCSA-N	239.447	4.616	0	10	BJAE	
CCN(CC)c1ccc(-c2ccsc2C)cc1	2302249694	OUMYURWKZXMKLY-UHFFFAOYSA-N	245.391	4.570	0	10	BJAE	
CC[C@@H]1CC[C@H](c2nc([C@@H]3CC3(C)C)cs2)C1	2302260126	UEMOTEXUCXEHPD-WOPDTQHZSA-N	249.423	4.950	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)CCCC1=CCCCC1	2302358983	LZHJGEOGIIWVSB-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CC[C@H]1CCC(C)(C)C1	2304436578	MQIFPIIGGYPMKY-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC)CCC[C@H](C)C1	2307763594	NNNQGRDJZAUGSG-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCCCC1CC(O)(C[C@H](CC)CCC)C1	2307833497	BKSFHNYOQPZVFZ-QQFBHYJXSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)C1(C)CC(C)(C)C1	2307895192	PGOFYOFXIKUMFO-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H]1CC(=O)CC2(CCC2)C1	2307897996	GSIMFTNJVDVGGR-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C[C@@H]2CCC[C@H]2C)c2ccccc2N1	2308260706	XYJBIALGXWHPEI-QPSCCSFWSA-N	243.394	4.801	0	10	BJAE	
C/C=C/CCC[C@@H](C[C@H]1CC[C@@H]2C[C@H]12)NCCC	2310192310	WMNHOXMYWZAAKI-ONLIHJCWSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC=C([C@H](N)[C@@]2(C)CC[C@@H](C)C2(C)C)CC1	2310334183	ZTGPGWSAHGCRKU-UICACZKSSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1C)[C@]1(C)C=CCCC1	2312457266	WDZUIJBEARQPGX-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1CC(C)(C[C@@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2312653642	IRSNJYWWQGBOEO-VNPUNGKLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312871050	SFLAVUBTWUWBFV-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](NC(CC2CC2)CC2CC2)CC1	2313592872	FTKFJOZRRNHQDG-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CCCC1(CC(N)(CC2CC2)CC2CC2)CCC1	2315444591	BTLQHHHNCYQEEG-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC(=CCN1[C@@H]2C=CC[C@H]1CC2)CCCC(C)C	2316514328	CNOGGZBTRURUIV-SJORKVTESA-N	247.426	4.552	0	10	BJAE	
C1CCCC(C[C@H]2CCN[C@@H](C3CCC3)C2)CC1	2317003680	WPRAAASABDWGGD-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)C(=O)c1ccc(F)cc1C1CC1	2317104533	XSCWCMPVLFULOO-QWRGUYRKSA-N	248.341	4.568	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317122403	URDLEWCHJPAZJK-ALYAQQCSSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1[C@@H]([C@@]2(N)CCCC23CCCCC3)CC1(C)C	2318259595	SWDMKTQGXSACGL-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(CC(=O)CCCCC1CC1)C2	2318872356	BEBVIYMZGIVJFK-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1=C(C)C[C@H](C[C@](C)(N)C2CC(C)(C)C2)CC1	2320335103	UMTPGMIXUNVWAE-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](N)c1cccc(C2CCC2)c1	2320650985	AGNAFOQBIRZYOS-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(CN)CC23CCCC3)C1	2321623084	VFMJCZTVLBJDRH-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)C2CCCCC2)c1	2327673466	PFSRQJCIVWXQLJ-QGZVFWFLSA-N	246.394	4.732	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccc(C)cc2F)cc1	20372079	QQEVNXSJJMAEMF-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCC[C@@H](N)c1ccc(-c2cccc(C)c2)s1	34974776	FVUCBYMGCSSPPS-CYBMUJFWSA-N	245.391	4.523	0	10	BJAE	
CCCN[C@@H](c1ccc(C(C)C)cc1)[C@@H](C)CC	36820167	ZSGSJRIOGILICX-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
Cc1ccc(C)c([C@H](N)C[C@@H](C)CC(C)(C)C)c1	36889569	KVMWCQOJHUODRS-CZUORRHYSA-N	247.426	4.766	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2ccc3sccc3c2)C1	36975857	ZVAJQYAJSSSOQG-YPMHNXCESA-N	245.391	4.892	0	10	BJAE	
CC(C)c1ccc(OC2CCCCC2)cc1	38763273	RRTCYWAFBGFPQB-UHFFFAOYSA-N	218.340	4.522	0	10	BJAE	
c1csc(-c2ccc(C3CCCCC3)cc2)n1	41289343	OQDNYIYYPCROQM-UHFFFAOYSA-N	243.375	4.858	0	10	BJAE	
CCC[C@@H](O)CCC[C@@H](C)CCCC(C)C	59217567	UGCXIXZVQXIFLH-LSDHHAIUSA-N	228.420	4.780	0	10	BJAE	
COc1cc(C)c(C2CCCC2)cc1C(C)C	75840623	MKENLDJJSMGKJF-UHFFFAOYSA-N	232.367	4.785	0	10	BJAE	
C[C@@H](N[C@H]1CCC[C@H](C2CC2)C1)C1CCCCC1	81638611	WXNWWXKIGLTYEA-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@@H](CC)NCC1CCCCC1	83354252	KDTPODQQKHRACH-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCN[C@H](CC1CCCC1)C1CCCCCC1	87947662	FUTKKYLWJNEXBE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(C(=O)c2cccc(F)c2)CC1	87959283	WJCXWVXXNGWWND-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCC[C@@H]1C)c1ccccc1	88507118	RNBMOHIKQCIAMU-USXIJHARSA-N	245.410	4.696	0	10	BJAE	
CCCN[C@H](CC)[C@H]1CCCC[C@@H]1C(C)(C)C	92596583	YFLSXNFGTUTHIF-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CN)c1cccc(C)c1	93125604	XYGWKENIDWPCNR-DOTOQJQBSA-N	247.426	4.644	0	10	BJAE	
CC[C@H]1CCC[C@H](/C(C)=C/CCNC(C)C)C1	93675543	BTPAYZIGGZHQLJ-XFCDKJKVSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)CC(=O)c1ccc(C(C)C)cc1	103933712	ZOQXLEXOJBSQFS-ZDUSSCGKSA-N	232.367	4.819	0	10	BJAE	
CC/C=C\C[C@@H](CC)c1ccc(OC)cc1	107570896	SNKAYKADPNLOKC-FMFIFOJESA-N	218.340	4.545	0	10	BJAE	
CCC[C@H](C)[C@H](O)c1c(C)c(C)c(C)c(C)c1C	109784448	LQBCIYSIHFWOCF-BTDLBPIBSA-N	248.410	4.698	0	10	BJAE	
CCCCC[C@@H](O)c1ccc(CCCC)cc1	109787345	ONALZCAYGKHEGO-MRXNPFEDSA-N	234.383	4.643	0	10	BJAE	
CCOc1cccc(N[C@H](CC)C[C@H](C)CC)c1	109912021	HPRXELBXSMDWCO-ZIAGYGMSSA-N	249.398	4.712	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](c1ccccc1)C(C)C	111665423	HDSDLPZMRJUPIM-WMLDXEAASA-N	247.426	4.798	0	10	BJAE	
CC1CCC([C@H](O)C[C@@H](C)CC(C)(C)C)CC1	124318696	GXQMPSDJZRIYMD-HXSCFSKGSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCC(C)(C)C)NC	126755539	LKYBFFHUCFVVGJ-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](NCCC)c1occc1C	133294587	RZAULSKZIKPUMG-AWEZNQCLSA-N	237.387	4.599	0	10	BJAE	
C[C@@H]1CC[C@H](O)c2cc(C3CCCCC3)ccc21	136937869	NWEJNSQGHFVSSS-PXAZEXFGSA-N	244.378	4.665	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCCCCC(C)C	147387942	PAJUCWMLWCJSRG-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccc(C(C)(C)C)cc1Cl	147591180	LKGJFTHDEXLGED-UHFFFAOYSA-N	210.748	4.761	0	10	BJAE	
CC(C)[C@H](NC[C@H](C)C(C)(C)C)c1ccccc1	162739479	GDHYPBSYVLYWHK-HOCLYGCPSA-N	247.426	4.656	0	10	BJAE	
CCCN[C@H](C)[C@H](CC1CCCCC1)C(C)C	203300472	VDLWYXDCZAFBFG-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)Nc1c(F)cc(F)cc1Cl	215737934	PVFPKDATAHZPEZ-MRVPVSSYSA-N	247.716	4.609	0	10	BJAE	
CC[C@H]1[C@@H]2CCCCCCCCCC[C@H]2[C@@H]1N	225168586	JOAIQQWJTAGQJG-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)c2cc(C)cc(C)c2)C1	226984765	NWGHLCVHYXUPRR-HLLBOEOZSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@@H](CC)c1c[nH]c2c(F)cccc12	232997399	TVNULHXDAPBPII-LLVKDONJSA-N	233.330	4.991	0	10	BJAE	
CCCN[C@H](CC1CCC1)c1c(C)cccc1C	233163009	BCYNGLVQFSMVAO-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)c1sccc1C	234438017	IFHCYCTZOJKCRX-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
Cc1ccc(N[C@@H]2CC(C)(C)C[C@@H]2C)cc1C	235588218	NQOBWGGYYHMSGU-DZGCQCFKSA-N	231.383	4.540	0	10	BJAE	
Clc1ccc(Cl)c(N[C@H]2C=CCCC2)c1	236057290	YSZVBDMZAJNJQP-JTQLQIEISA-N	242.149	4.514	0	10	BJAE	
CSc1cccc(NCCCC(C)(C)C)c1	300910597	XUCOUHWVEMFHDU-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
Cc1ccc(NCC2CCCCCCC2)cc1F	302287542	KODSLNTVLZPLGI-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCc1ccc(N[C@@H]2CC(C)(C)C[C@@H]2C)cc1C	302362923	YIBYBVSERIJKHN-XJKSGUPXSA-N	245.410	4.794	0	10	BJAE	
COc1ccc(C)c(N[C@H](C)CCC(C)(C)C)c1	302511902	NGMDDLFISQKVRX-CYBMUJFWSA-N	249.398	4.630	0	10	BJAE	
CCC[C@@H](Nc1cccc(Cl)c1C)C1CC1	304259356	ALLZNMAPOPVPQH-CQSZACIVSA-N	237.774	4.639	0	10	BJAE	
C[C@@H](CCC(C)(C)C)Nc1ccccc1Cl	304397021	NLXUHKZMBUOJIT-NSHDSACASA-N	239.790	4.967	0	10	BJAE	
CCc1cccc2c(Cl)c(SC)sc12	306641648	MUVSFKXYJSTRBM-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CCCNCC/C=C(\C)CC1CCC(C)CC1	310105710	CUADLAAVFMIEFN-GIDUJCDVSA-N	237.431	4.539	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CC2CCC(C)(C)CC2)C1	310186496	XQUZXJUAJBTNDA-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1[C@]1(N)CCCCC1(C)C	310819474	HYJUWNRFDDNBFR-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCCCC1(CNC(C)C)CCC(C)CC1	317344732	GUGAZWWXTRIYCZ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@]1(CNCCC)CC[C@H](C)C1	318305014	OENBGCDNXBFHMG-HOTGVXAUSA-N	239.447	4.763	0	10	BJAE	
Cc1ccc(N[C@@H](C)CCC(C)(C)C)c(C)c1O	381021300	XIQYGZZCTGZSQH-LBPRGKRZSA-N	249.398	4.636	0	10	BJAE	
CC(C)CCCCC/C=C\CCNC(C)C	383370940	JIMDGHULJPHORU-CLFYSBASSA-N	225.420	4.537	0	10	BJAE	
Cc1cccc(C[C@@H](O)CCCCCC(C)C)c1	383597019	YUBSINBWJDHZJM-KRWDZBQOSA-N	248.410	4.505	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@@H]1CCCCC1(C)C	384110604	DIQWVCFDUYVYOL-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CCC1CCC([C@H]2CCc3cc(N)ccc32)CC1	384934005	AVLLHRCNIPCWGB-SEEARECTSA-N	243.394	4.515	0	10	BJAE	
Cc1cc([C@H](N)C[C@H](C)C2CCCCC2)c(C)o1	386197828	KUYDKGJEPAGJKB-MEDUHNTESA-N	249.398	4.503	0	10	BJAE	
CC1(CCN[C@H]2CCCC23CCCC3)CCCC1	392940743	QHITXODLOYPUOV-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@](O)(c1cc(C)c(C)cc1C)C(C)(C)C	395309834	ORVXNEZUQGQPOX-QGZVFWFLSA-N	248.410	4.646	0	10	BJAE	
COc1cc2sccc2c(Cl)c1C(F)F	396183569	MVKCOVVBMXBIBO-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCOc1cc(C)c2ccsc2c1C(F)F	396241035	LMQIACJTCCIPGZ-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCC1CCC(CNC)(C[C@H]2CC=CCC2)CC1	402146111	MLEXVILIJWYANL-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1c(C)cccc1C	575358343	VWBWUVKBZZNWEU-CQSZACIVSA-N	232.367	4.703	0	10	BJAE	
Cc1cc(O)c(C)c(-c2cc(C)c(C)cc2C)c1	686553619	GHCKWFPASCOABP-UHFFFAOYSA-N	240.346	4.601	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@@H](C)CC1CCCC1	689716606	JSKRLICHFYLUMG-GJZGRUSLSA-N	245.410	4.614	0	10	BJAE	
CCCNCC1(CCCC(C)(C)C)CC=CC1	690533307	YSPGOVOAZCSOJQ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1CCCCC1(C)C	696577522	YKXNWHYIULJPJI-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)CC1(N)C[C@H]2CC[C@@H](C2)C1	697695330	NKDKOCVDPBNMIL-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)C1NC1CCCCCC1	699626120	CLTLTSLMAPZBOJ-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(CC)C(C)(C)CCNC(C)(C)C	701129826	CTXUEDNSOBUMFE-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NCC[C@H]1CC=CCC1	706959498	KAFYJZALSTWBTM-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@H](CN[C@H]1CCCCC[C@@H]1C)CC(C)(C)C	709129862	UHOLZNZTJFKJON-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CN[C@H]1CCCCC[C@H]1C)CC(C)(C)C	709129868	UHOLZNZTJFKJON-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(N)[C@@]23CCCC[C@H]2C3)C1	709270845	BTTVGYMMDFORHQ-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(Cl)c1N[C@@H]1C[C@@H]2CCCC[C@H]21	712393083	WESWMJCPIJOQCC-OUCADQQQSA-N	249.785	4.639	0	10	BJAE	
Cc1ccc(NCC(C)(C)C(C)C)cc1Cl	713133405	XWDMPHLPRKKIGB-UHFFFAOYSA-N	239.790	4.743	0	10	BJAE	
CCN[C@H](CCC(C)(C)C(C)C)c1ccccc1	713139263	GKCLJZMKLXZLJD-MRXNPFEDSA-N	247.426	4.800	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)[C@@H]1CCCCC1(C)C	713761693	JGCBYRWQLRYEOB-HABDOHHLSA-N	249.442	4.703	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CC1	716833379	DGWAGXZMLWSRNW-LZWOXQAQSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H](CCC(C)=C(C)C)C1	718641959	AMGNCMPKHIYRRL-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(O)c1ccc(C)c(C)c1	718687703	DNONIEJJGILQRH-QGZVFWFLSA-N	246.394	4.647	0	10	BJAE	
CC(C)=C(C)CCc1ccc(C(F)F)cc1	718721209	JFGAEPXWGZKGNW-UHFFFAOYSA-N	224.294	4.913	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(N)CCCCCC1(C)C	719204479	SYLSHRJAUFIRPV-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCCNCC1(C[C@H]2CC23CC3)CCCCCC1	722879520	WNNLDLDCJDGKFO-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
C1=C(CN2CCCCC23CCCCCC3)CCC1	1176957902	DEBUXJDFZPTKSC-UHFFFAOYSA-N	247.426	4.676	0	10	BJAE	
CC1=CC[C@@H](N[C@H]2CCCC23CCCCC3)CC1	1206636815	UCCDEXOXINMYJX-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
C[C@@H]1[C@@H](NC[C@H]2CCC=CCCC2)CCC[C@H]1C	1462658904	MRSFYQCLZQBECP-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H](C)CSc1ccc2c(c1)CCC2	1640816163	DAQLQEOYLLGOBM-CYBMUJFWSA-N	248.435	4.950	0	10	BJAE	
Cc1occc1SC[C@@H]1CCCC[C@@H]1C	1651920064	GRDRHVCYDVKMBC-JQWIXIFHSA-N	224.369	4.506	0	10	BJAE	
C[C@H](NC1CCC2(CCC2)CC1)c1cccs1	1657789599	QOQVVFIAMFCKHY-LBPRGKRZSA-N	249.423	4.512	0	10	BJAE	
CC=CCCCC[C@H](C)COCc1ccccc1	1880244014	GEXJTHFGHHXZGJ-INIZCTEOSA-N	246.394	4.976	0	10	BJAE	
CCC(CC)CCN(C)CC(C)(CC)CC	1900699176	YPLIGVPPQHSZJJ-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC)CCC(CC)CC	1900700324	CMEPXRRTXJJSNY-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CCC(C)=CCOc1cccc2sccc12	1900822648	IMYIPIZQPCAPEI-UHFFFAOYSA-N	232.348	4.636	0	10	BJAE	
CCc1cscc1N[C@H]1CCCCC[C@H]1C	1902381443	NOVFFIZGMMOUCL-YPMHNXCESA-N	237.412	4.691	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)CCC(C)(C)C	1905364648	ZPASSPQXUNEWRI-ZFWWWQNUSA-N	227.436	4.747	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H]2CCC[C@@H]3CC[C@@H]32)c1	1907050262	PYHQIEMXPUHTFN-MBNYWOFBSA-N	249.785	4.639	0	10	BJAE	
C[C@H]1C(C[C@@H]2CCCCCCCCC2=O)[C@@H]1C	1908007268	GGKXTDHMVFSEOB-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C(C[C@H]2CCCCCCCCC2=O)[C@@H]1C	1908007269	GGKXTDHMVFSEOB-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@](O)(CC)C1CCCCC1	1910693360	IGHZJNIVPXIHLY-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCC(=C[C@H]1CCCC[C@@H]1CC)CNC(C)C	1911883935	JPWVZTNKPCSUJV-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](O)C1CC2(CCCCC2)C1	1912726601	IBRZQPHTJRYMGE-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C)[C@H]1CCCCCCCC[C@H]1O	1913398744	SETAXNDBKHIMCO-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCC2(CCCCC2)C1	1915857146	HATUYUZOJQMSAQ-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC1(CCCn2ccnc2C2CCCCC2)CC1	1923568049	OJZNQYZIWKAKSG-UHFFFAOYSA-N	246.398	4.511	0	10	BJAE	
Cc1cc(Cl)ccc1NC[C@H]1C=CCCCC1	1925917864	OTDFHUXMJKLTPV-ZDUSSCGKSA-N	249.785	4.807	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1sccc1Cl	1927979666	DALQPBUHYTYPGL-MWLCHTKSSA-N	246.803	4.507	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@H](O)c1cscc1Cl	1928721744	QFXQMBREBJSCKW-BXKDBHETSA-N	246.803	4.507	0	10	BJAE	
CCCN[C@@H](C)C1CCCCCCCCC1	1938718949	OJTMFTOHCNXANN-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2C[C@H]3CCC[C@@H]32)cc(C)c1Cl	1940412906	JPPNKCVCQKGLHL-KWCYVHTRSA-N	249.785	4.557	0	10	BJAE	
CCCCC[C@@H](CCCC1(C)CC1)NCCC	1940864932	RPZBVLIWOLZKOP-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@@H]([C@@H](CC)C(C)C)[C@H](C)[C@H](C)CC	1941266750	JGSPYAAJGJNHHC-LVQVYYBASA-N	241.463	4.719	0	10	BJAE	
O=C(CC1CCC=CCC1)c1ccccc1Cl	1941792241	CDSBCJMPKKUSCO-UHFFFAOYSA-N	248.753	4.659	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)[C@H]1CCCCC1(C)C	1942653686	STZXFOYQOORKML-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(N[C@H]2CCCc3ccsc32)cc1	1946348802	WZDFGLYTZUCCQL-AWEZNQCLSA-N	243.375	4.546	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CC[C@H](C(C)C)CC1	1948429530	RDVMIFXFRLRWRL-SHTZXODSSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC(=O)[C@H]1CCCC(C)(C)CC1	1950917225	DVIPFIAQMDHCKG-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)C1(CC)CCC1	1951234289	DZZRMONEGCPMKC-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)c1nc(C2CC2)cs1	1960044947	UHYMTMBEOXLENE-SNVBAGLBSA-N	223.385	4.704	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1cc(C)c(Cl)s1	1960262079	FYVLMLMYKOBNIB-APPZFPTMSA-N	244.787	4.575	0	10	BJAE	
CC(C)SCCNc1ccccc1C1CCC1	1967841309	HZHLPPHGLDHLMT-UHFFFAOYSA-N	249.423	4.508	0	10	BJAE	
CCC[C@@H](C)CNCc1ccccc1C(C)(C)C	1970465053	LKHLBSCOWYLPSF-CQSZACIVSA-N	247.426	4.510	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCCCC12CC2	1972726078	VLWWKLOKBNDVEK-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C(C)(C)CC)CC1	1976340050	ABIVPIJLVMWTMP-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)C[C@H]1CCCCCCC[C@H]1O	1980352665	VZXHYYLGMINWBQ-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cccc(Cl)c1C	1989819764	VWDRDIPFFZMKGS-NSHDSACASA-N	239.790	4.885	0	10	BJAE	
CCCC1(N[C@@H]2CCCC(C)(C)C2)CCCC1	1995681150	JAQKOEPPKZLRBJ-CQSZACIVSA-N	237.431	4.658	0	10	BJAE	
CCC(CC)CCN(C)CCC(C)(C)C1CC1	1995888637	ORADLTQCKQOFEB-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCSc1ccccc1N[C@H](C)CCC1CC1	1996364455	VPTAKCLKTKHAQQ-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CC1(C)Cc2[nH]c3ccc(Cl)cc3c2C1(C)C	1997768739	WGUQLQUBLCJEKV-UHFFFAOYSA-N	247.769	4.681	0	10	BJAE	
CCCCCC[C@@H](O)CC1CC(C(C)(C)C)C1	1998257717	HVOBMACRVYSWQP-YMAMQOFZSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@@H]1C=CCCC1	1998378203	SDNPQWWBJFADMX-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)[C@@H]1CCC[C@H](C)C1	2000324448	SVOCNAIHNAGKJS-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@@H](CCCC(C)(C)C)NC)CCC1	2000335492	YPTOIYLMEWPIMG-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)CC1(C)CCC1	2000517188	AMONHEHIBSRTCJ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)N(C)[C@H]1CCC2(CCCC2)C1	2000894080	BZPBQLXHXMHERW-GJZGRUSLSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H](NC)[C@H]1CCCCC12CCCCC2	2001579054	RXPHXWMDOCVOKA-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)C[C@H]1CCC2(CC2)C1	2003197128	JJFXGKJZIWYDET-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1CCC2(CC1)CC2	2003286843	GGPQLRHFWXISEX-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC1(C(=O)C2CCCCC2)CCCCCCC1	2004937545	QMFVBCODQNWEPU-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC[C@H](C[C@@H](CCC1(C)CC1)NC)C(C)(C)C	2009548812	QPXPMKDHVGMTQF-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@]1(O)CCC[C@@H](CC(C)C)C1	2009593238	MSZHUBFNLRMQJC-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@H](NCC)C(CC)(CC)CC	2009616037	FOFPBCNRIXERDO-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
CC=CCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1NC	2009619004	HPQSOZGBDCGOTL-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@H](C)C1CCC1	2009629524	SUIUFXBOYKYCGG-WQDDEOEWSA-N	237.431	4.537	0	10	BJAE	
CCCCCC1CC(Nc2cccc(F)c2)C1	2009716432	TVJMPFVSKWOFTI-UHFFFAOYSA-N	235.346	4.597	0	10	BJAE	
CC[C@H](C[C@@H](O)C1=CC[C@@H](C)CC1)C(C)(C)C	2010626327	XULAVOYGQLPDJG-BPLDGKMQSA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@H](NC)C1=CC[C@H](C(C)C)CC1	2010714828	AKHZOEYEPXXSRM-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C(C[C@H](N)c2cccs2)CC1	2010747483	KIUUEVGHHJIEIU-KGLIPLIRSA-N	249.423	4.521	0	10	BJAE	
CN[C@H](CC1=CCC(C)(C)CC1)c1cccs1	2010767498	VUMPFHJZKVRFDZ-CYBMUJFWSA-N	249.423	4.535	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@H]1CCC2(CC2)C1	2013270706	KWTULBOZVYQJIA-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)C[C@H](C)C(C)C)CC1	2015279126	UOLIBEWRCHMYHC-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CC(C)C(CC[C@@]1(N)CCCC[C@H]1C)C(C)C	2015347054	MEZXWQHZFLNQIA-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@]2(O)CCCCC2(C)C)CCC1	2015639931	MMGKILMKLMEUQN-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)=C(C)CCN1CCC12CCCCCC2	2016131801	CZZDDVGXMLBORB-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](CCCCCC(C)C)NC	2016847807	LMOKFIBJEYECKK-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CC[C@H](C)C2)CC1	2017770073	HJCXHDWKJMUNCN-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(CC(=O)[C@H]2C[C@@H]2CC)CC1	2017774615	QVDIALRYPLZDBT-WUCCLRPBSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)C(C)(C)C(C)C	2018997267	XYPULPCNVLUAKP-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(CC(C)C)CC(C)C	2019201417	SHXSTDGGKVAKRN-CVEARBPZSA-N	239.447	4.569	0	10	BJAE	
CCCN[C@@H]1[C@@H](CCC(C)C)CCCC1(C)C	2020363331	ICXZEFOCFFUYCK-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC=C(CC)[C@@H](CCC1CCCC1)NCCC	2020964008	DSKSNIVKTJHIFZ-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@H]1C[C@@H]1CC	2022256810	RLYYVQCGXBFNAO-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1C[C@@H]1C1CCCC1	2022455658	YGYJKJUEDHWWJF-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCc1cc(-c2ccc(Cl)c(C)c2)ccc1O	2022729555	RQXOQMIPJBPHPF-UHFFFAOYSA-N	246.737	4.583	0	10	BJAE	
CCCN[C@@H]1[C@@H](C)CCC[C@@H]1CCCC(C)C	2024000952	NPAFKSJEGATGBI-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](O)C[C@H]1CCCC(C)(C)C1	2024116690	IMGKBMJHSZQEBF-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2C=CCCCC2)C1	2024125142	QIXWOICIWCMNMP-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NCC)c1ccoc1	2026170749	SDSOMGHTYLJZCV-UKRRQHHQSA-N	237.387	4.537	0	10	BJAE	
CC1(CCCN[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1	2027835137	ZFJJWSDJXOSTEI-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](N)CCC[C@@H]2CC2(C)C)c1C	2027840055	NLOOXWYFRDEYEQ-GDBMZVCRSA-N	245.410	4.520	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CC[C@@H]2CC[C@@H]21	2027991918	QCXLTMYLGACZRM-KCQAQPDRSA-N	243.394	4.585	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)c1cccc(C(C)C)c1	2028235703	RWDIPMSNSBDERJ-DLBZAZTESA-N	248.410	4.916	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)[C@]1(C)C[C@@H]1C	2028873216	VHSKXIBVAZEVFX-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)C[C@@H](O)c1ccc(C2CCCC2)cc1	2031749805	MBSBXRXHTPCBIA-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CCCN[C@H](CC1CC1)[C@]12CCCC[C@H]1CCC2	2031755588	WZZISEBKJBWROL-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)[C@@H]1CC12CCC2	2032131695	KVWJCODEAWBUEE-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC=C[C@@H](C)N[C@@H](CCCC)c1ccc(F)cc1	2034977248	ILMKZNPAAZAJSJ-CJNGLKHVSA-N	249.373	4.611	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@H]2C=CCCC2)cc1	2035586632	BUBFDJNHCSWRIO-YOEHRIQHSA-N	243.394	4.556	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)[C@H]1CC12CCCC2	2036099622	ZHUXXYWKAURGGS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@@H](C)CC(C)C)c1ccccc1	2036383966	QEGMRLABDSZBFQ-ZOBUZTSGSA-N	247.426	4.798	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)CC1CCCC1	2038114443	KAMXPZVMSPQLRT-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)CC12CCC(CC1)C2	2039422714	WYKSVOGZJLUHHI-GYMHETDLSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC[C@@]1(C)CC=CCC1	2042074551	OIUDFEXKZZYHRU-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
N[C@@]1(C[C@@H]2CCC=CCCC2)CCC=CCCC1	2045316838	HJOQITSIMALEAU-SJORKVTESA-N	247.426	4.731	0	10	BJAE	
CCCC1CCC(N[C@H]2[C@H]3CCCCC[C@H]32)CC1	2048385233	HAMDFTZGSKVQNZ-BOXKHOIUSA-N	249.442	4.514	0	10	BJAE	
CCC(=O)c1ccc(C2[C@H]3CCCCC[C@H]23)cc1	2049172875	NGRPVDXXTWAHBL-GJZGRUSLSA-N	242.362	4.573	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@H]1CCC2(CC2)C1	2049855021	NDVFUPYMQOWUSL-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@H]1CC1(C)C)[C@@]1(C)C=CCCC1	2049997046	KWYNERMIVPTPDB-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@@H](CCC=C(C)C)c1ccccc1	2051407357	INXSMVNWHDKGHY-QGZVFWFLSA-N	245.410	4.516	0	10	BJAE	
CCCNCC1([C@@H]2CCC[C@H]2C)CCC=CCC1	2055274566	HDEGBAOONIPRSG-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CCCC[C@@H]2C(C)C)CCC1	2055550255	AXPQVPHLMRKYDN-BRWVUGGUSA-N	249.442	4.680	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCC1)C1(C)CCC(C)(C)CC1	2056552440	LJHXBTTWJMOZAV-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2CC(C3CC3)C2)CC1	2056648883	SGBTZZGZFSSZBV-PUJMQQBBSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(NC[C@H](F)C2CCCCC2)c1C	2058032544	YMNZHYCTSKWDNN-HNNXBMFYSA-N	249.373	4.634	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C1CC2(CCCC2)C1	2059180719	NDLVKJOOXHWNSW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]12)NCCC	2059268223	WMNHOXMYWZAAKI-YSBOKNOISA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@]2(N)C=CCCCC2)CC1	2061112931	KFLUNAYUZNOVAX-PBHICJAKSA-N	247.426	4.587	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H]1CCC[C@@H](CC)C1	2061566065	IYQNDMHGLIGMDX-ZACQAIPSSA-N	249.442	4.692	0	10	BJAE	
C=C=CCC[C@@]1(CNCC(C)C)CCC[C@@H](C)C1	2061566676	OXMXHVXGDPMDAF-IAGOWNOFSA-N	249.442	4.550	0	10	BJAE	
C[C@H](C(=O)CC[C@]12CCC[C@@H]1C2)C1CCCCC1	2061608034	UZAFGYSLRIEOFQ-LXZKKBNFSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](C1CC(=C2CC2)C1)[C@H](C)[C@@H](C)CC	2061650771	OIQJXXAQIBODPB-AHIWAGSCSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C1CC(=C2CCC2)C1	2061730099	DWCVZUCTQQQYFP-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
NC1(CC2CC(=C3CCC3)C2)CCCCCCC1	2061739374	MUFQNCBNBYTXNL-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCCCCC23CC3)C1	2062019440	VZSFKHPWDBFXES-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CN(CCCC1CCC1)[C@H]1CCCCCC12CC2	2062213146	AXSUFSGGEVXBEB-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC23CCCC2CCC3)CC1	2063902308	BCQOJTIGIXOBFQ-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](NCCC23CCC(CC2)CC3)C1	2065260539	SIVQURAHRMHVAZ-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC12CCC(CC1)CC2)C1(C)CCCC1	2065306927	AYNSVNRYGWCLPL-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](NC)[C@@H]2CC(C)=C[C@H](C)C2)CCC1	2069281626	ZNWADZGQOBUPTB-BPUTZDHNSA-N	249.442	4.537	0	10	BJAE	
CCCC1([C@H](N)c2c(C)cc(C)cc2C)CCC1	2069336888	FRCQUMNZFRUFRU-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2CCC=CCCC2)CC1	2069505291	LWVYUBNAMVMBTP-OAHLLOKOSA-N	248.410	4.908	0	10	BJAE	
C[C@H](CC1CCCC1)NCC1(CC2CC2)CCC1	2069506317	ARYAGBAPASTHKB-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H](C)C1CCC(C)(C)CC1)C1CC=CC1	2070809827	DEFFHQILMPVCFV-UONOGXRCSA-N	249.442	4.536	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(=O)c1cccc(C(C)(C)C)c1	2070950132	GKSRZVOGJHCNJZ-YVEFUNNKSA-N	244.378	4.603	0	10	BJAE	
CN[C@H](C[C@@]1(C)C[C@@H]1C)c1ccc(C(C)C)cc1	2070965655	CGYNVGLQUIGMRE-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@@H]1CC[C@@H]2C[C@H]12	2071198482	GJWLIVWMTHYTOS-ZJIFWQFVSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)C1(CC2(N)C[C@@H]3CCC[C@H]3C2)CCC1	2071941083	PQKZCTPTXUODOC-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CC2(C(C)C)CCC2)c1	2071951616	ZNZUTMKWIXPNIP-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CC(C)=C(C)[C@@](C)(N)c1ccc(C(C)(C)C)cc1	2072429156	MCJZOVHOBDPHNA-QGZVFWFLSA-N	245.410	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@H](N)c2ccccc2)CC1	2072804911	XJQCJMOCRSXOCA-ZOBUZTSGSA-N	245.410	4.683	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H]1CCNC2(CCCCC2)C1	2074139637	UBEMMFYZBITMJM-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)[C@]1(C)C=CCC1	2074653741	RILHRTLEBWOYAR-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@H]2C=CCCCC2)CC1	2075404381	YOSGHKWZNIVIOA-IKGGRYGDSA-N	249.442	4.776	0	10	BJAE	
c1ccc(C2CC2)c(NC2[C@H]3CCC[C@H]2CC3)c1	2077263858	FRAOUMIFVZECRV-KBPBESRZSA-N	241.378	4.555	0	10	BJAE	
CCCC1CCC(C=C[C@H]2CCNC2(C)C)CC1	2077984484	QEWQAFCSUUWCAW-GPANFISMSA-N	249.442	4.537	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2079492585	RQHVRMZMHLDKHQ-JKSUJKDBSA-N	248.410	4.908	0	10	BJAE	
C[C@]1(C[C@H]2C[C@@H]2C2CCCCC2)CCCCCN1	2079640785	DJSOHCGYJZVOCA-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCC1(C(=O)C[C@H]2C[C@H]2C2CCCCC2)CCC1	2079842652	PCUASQYFECWPKX-CABCVRRESA-N	248.410	4.742	0	10	BJAE	
CCCCCc1cc([C@@H](C)NCCC)ccc1C	2082716785	GMPVWUPURBCTBY-OAHLLOKOSA-N	247.426	4.788	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)c1cc(C)cc(C)c1C	2082920553	ZXZSPVYCVPLSCG-YVEFUNNKSA-N	247.426	4.699	0	10	BJAE	
Cc1cccc(CN(C)[C@@H](C)CC(C)(C)C)c1C	2082952233	IABKOTZWFREUET-AWEZNQCLSA-N	247.426	4.560	0	10	BJAE	
CC[C@H](C(=O)CC1C2(CCC2)C12CCC2)C(C)C	2083533657	OJHSASIKHJTDME-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C[C@@H](N)CC23CCC(CC2)CC3)C1	2084994635	NWDYEGUDOBDOTB-YYUOFMGYSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C[C@H](N)C2=CC[C@@H](C(C)C)CC2)C1	2084999237	WDODKGGHHWTYRX-BOXZVXIZSA-N	249.442	4.523	0	10	BJAE	
CCC1CC(C[C@@H](NC)C2=CC[C@H](CC)CC2)C1	2085002658	ZIIJZWRNHMUDKU-PBMMVSLJSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@@H](CC)C1)c1cccc(C)c1	2085253412	UWCZMOALCGIECH-PVAVHDDUSA-N	245.410	4.614	0	10	BJAE	
CC1(C)CC(C)(COc2cccc(Cl)c2)C1	2211647460	HJPHHJNXXQJLNR-UHFFFAOYSA-N	238.758	4.545	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C(C)(C)CCC	2212116004	CPEMLEWESLIBKV-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)[C@@H](O)CCCCCCCC1CC1	2212463011	OZPPWPGMFVCDKS-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)CCCCCCC1CC1	2213576783	UTSPIMGKYSVHDG-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
CC1(CNc2ccccc2Cl)CC2(CCC2)C1	2215394973	VHFMHTUHACTSGQ-UHFFFAOYSA-N	249.785	4.722	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1(C)CC(C)(C)C1	2215430385	DAAAJHFWVQVXMK-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C=CCCCCCCC1CC1)CN	2216880220	RUEIGPDQWHNTFS-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1c1nc(Cl)cc2ccccc12	2217019889	BZJYTQPROLCTDZ-STQMWFEESA-N	245.753	4.648	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)C[C@@H]1CC[C@@H](C)C1	2217144139	ZPZCQXIWSBCHHA-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC1(CC(=O)C2C[C@H]3CCC[C@H](C2)C3)CCCC1	2218338065	GCNHGNNRAWQJRD-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c([C@H](N)CC2(C)CC(C)(C)C2)c1	2221016543	PGQMQKXPLSDYBD-OAHLLOKOSA-N	245.410	4.520	0	10	BJAE	
CC1=CC[C@@](CN)(C[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2221662670	IFAGARVXLLULDP-HZMVEIRTSA-N	249.442	4.524	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)c1c(C)cccc1C	2222003430	AEMFWUHHKGYMSH-XJKSGUPXSA-N	248.410	4.943	0	10	BJAE	
CC[C@@H](C[C@H](N)c1c(C)cccc1C)C(C)(C)C	2222014491	RPWFNRWZRDJRLT-GJZGRUSLSA-N	247.426	4.766	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1C[C@H]2C[C@H](CN2)C1	2223130199	KFYWTBLAJILTHM-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](N)(CCCCCCCC2CC2)CC1	2223132999	QUPZFUJEFWFGLF-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC1(C[C@@](C)(CNC2CCC2)C2CC2)CCCC1	2223548543	QPSNXESVMVCSLP-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
Cc1cc([C@H](C)Nc2ccccc2C)ccc1F	2223919828	CYWXTPKJMHUXDH-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
Cc1ccc([C@H](C)C(=O)CCC2CCCC2)cc1	2223965612	LTNNGBVWYMRSMN-AWEZNQCLSA-N	244.378	4.638	0	10	BJAE	
CC1CC(C)(C[C@]2(O)CCCC(C)(C)CC2)C1	2246448332	MVJPDJQPQUOMNM-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCC(CC)(CC)NCC1CC2(CCCC2)C1	2246789132	JEVBLOVYIIRKCY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@H](N)CCCC[C@H]1C[C@@H]1C	2247176718	RGKAUZRFICPNDF-CWRNSKLLSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@](O)(C[C@H]1CCC1(C)C)C1CCCC1	2247417562	LYEWRHHGFVZNGY-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCCCCC[C@H]1C[C@H]1C)C(C)C	2248807183	IYCLDNKKCXYJQJ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CNc1cc(C)c(C)c(C)c1)C(C)C	2249486235	LZLAKBQNIWULEB-OAHLLOKOSA-N	233.399	4.706	0	10	BJAE	
O=C(CCC1CCC1)c1ccc(C2CCC2)s1	2250280698	YPDOIWSXVQEYCS-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CCCN[C@@H](CC1CC(C)C1)[C@@H](CC)CCC	2250351312	BRMQBQDJIIAKLR-CKUJCDMFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@@H](CC)CCC	2250359684	FGWJJYCTOHDOSV-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@]1(C)C[C@@H]1C	2250480917	JFCHGJUNAAARGQ-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@@]12CCC[C@@H]1CC2	2251213649	ZMTYMNDDHOMHSQ-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC(C)(F)CNc1cccc(C2CCCC2)c1	2251250573	OWFGZLRKGCNAAU-UHFFFAOYSA-N	235.346	4.504	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](CCC(F)F)C(C)C	2253254338	ZXHLLVVSHNTRJT-STQMWFEESA-N	249.389	4.615	0	10	BJAE	
C[C@H](CC[C@@H]1CCCCC12CC2)[C@@H](C)NC1CC1	2253803593	FTNPEZUTCQCYRV-KFWWJZLASA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CC2(CCCC2)C1)c1ccc(N)cc1	2254083554	FKGJLCMGMUOTBX-CYBMUJFWSA-N	243.394	4.733	0	10	BJAE	
CC1CC2(C1)CC(NCCC1(C)CCCCC1)C2	2254143581	MYXMCJSMIKSGGI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@@H]2CCC23CCC3)C1	2255017058	LHIDSDQMYNVYRY-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)C1CC2(CCC2)C1	2257315205	JXMKHUDYXGVREV-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)[C@]12CCC[C@@H]1CC2	2260503333	BQDZVFLJNZFWGY-NVXFWENBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C[C@]12CCCC[C@@H]1CC2	2260600970	HNGRWKRZIGGBGI-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@@H](N)C[C@]23CCC[C@H]2CC3)CC1	2260601493	DMGXAKRFJRSOPS-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(N)(C[C@@]23CCC[C@@H]2CC3)C1	2260645888	KDEYXVRBIQONEX-HTUOJYHCSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CCCCC[C@H]1C[C@@H]1C	2298474613	FKDWVMNCZXTYHC-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](Nc1cc(C2CC2)ccc1Cl)C1CC1	2300674344	SPNQMZNKIVYYIF-CQSZACIVSA-N	249.785	4.818	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H]1CCC[C@@H](CC)C1	2300685676	HVDFIPNIOFBMQS-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CCC(=O)c1cc(F)ccc1C	2300698755	BOCCLZVAHGGHFO-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CC[C@@H]1CC[C@]1(N)CC=C(C)CCCC(C)C	2300898154	ATZWTMIFJUKRRQ-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CC=C(C)CC)NC	2300904725	RPAPYAACLXHVRL-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@](C)(CNC)CC1CCCCCC1	2301247013	LUWJLELMGATMSC-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1ccc(C2CC2)cc1	2301967958	NQJHXUKCRQRTNH-STQMWFEESA-N	231.383	4.657	0	10	BJAE	
CC1(C)CC(O)(CCCCC2=CCCCC2)C1	2302361166	JNYOXXWNKKRQQJ-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1N[C@H]1CCCCC12CCC2	2302891537	CZODGPGQNGEPBS-AWEZNQCLSA-N	249.423	4.835	0	10	BJAE	
CCCN[C@H](CC)CC[C@@H]1CC[C@H]1C(C)(C)C	2303474497	YOWOZLDRQGWQQA-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC[C@@H]1C[C@H]1CC)CC(C)C	2303591067	LQHCMQQJOFPKJJ-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)c2sccc2C)CC1	2303593676	ZNGMFZSMJOTXCG-CYBMUJFWSA-N	248.391	4.766	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCCC[C@@H](N)C2)C1	2304446292	HFZLCFHXRQPLQG-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](CNCC)C1CCCC1	2307845983	SKAUAJKGDMZESO-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@H]1C[C@@H]2CC[C@H]1C2	2308576621	DQBRSSGFMJGNFE-PVUWLOKVSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CC[C@@H](N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309185409	WZEGTIIZHQZNFU-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CC[C@H]1C[C@@H]2CC[C@H]1C2)CC1CCCCC1	2312933702	TWLRZNKIXZZEQP-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1C[C@@]12CCC[C@@H]1CC2	2313342132	GSPJNBOEYFZMQD-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1[C@H]2CCC[C@H]21	2315872665	NZFFKNQZCDPQKP-MUJYYYPQSA-N	243.394	4.576	0	10	BJAE	
CCC(C)=CC[C@@H](N)c1ccccc1C(C)(C)C	2316503942	RZCHLCAZJDVCOV-MRXNPFEDSA-N	245.410	4.730	0	10	BJAE	
CC(=CCN1C2CCC1(C)CC2)CCCC(C)C	2316513389	QXKPHUJLRFNQHF-UHFFFAOYSA-N	249.442	4.776	0	10	BJAE	
CCNCC1(CC2CCCCCC2)CC2(CC2)C1	2317010812	RPDPDSAHXCCZLC-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1ccc(F)cc1C1CC1	2317071027	QXKBYJKJENZBPS-HNNXBMFYSA-N	249.373	4.529	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Oc1cccc2ccccc12	2317830451	HTUURDDITAINHL-UONOGXRCSA-N	242.362	4.899	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H](C)[C@@H](C)C(C)C)cc1	2317990350	OXJAZBFRACCJRW-KBPBESRZSA-N	246.394	4.921	0	10	BJAE	
C[C@H]1C[C@](N)(CCCC2=CCCCC2)CC[C@H]1C	2318565625	NRNNOEWIJZKWKJ-VYDXJSESSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)CCCC1=CCCCC1	2318588599	HUMCJLXKMRAPHG-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)CC[C@@H]1CC[C@@H]1C1CC1	2319730644	NWYDXCPHMKLARU-JJAZEVLHSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC[C@@H](N)c1ccccc1	2320250595	SFQIHMVWAHMXNG-NUEKZKHPSA-N	245.410	4.539	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)C2(C)CC(C)(C)C2)CC1	2320331620	RMBRXMLVTXWKRL-CABCVRRESA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C[C@@H]1CCC(C)=C(C)C1)C1(C)CCCC1	2320387370	GMZBAOCJGLWILH-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CCC[C@H](C)C2)CC1	2320400405	YWFRGCIKJAITRA-APHBMKBZSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2CC(=C3CC3)C2)CC1	2320423186	KVLPLJDHWRLHCH-CYBMUJFWSA-N	244.378	4.583	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@H]2CC23CCCC3)C1	2321610872	LDSROGPUFVHHDL-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCc1cccc(OCC[C@H]2CCC(C)(C)C2)c1	2321632317	FHOOTWIHLPWFAL-OAHLLOKOSA-N	246.394	4.844	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@@H]2CCC2(C)C)c1	2327677153	FZECDYUFNUGXGE-JKSUJKDBSA-N	246.394	4.588	0	10	BJAE	
CCC[C@H](C)CNc1ccc2ccccc2c1	36951837	GJVJEMYKUTYHFX-ZDUSSCGKSA-N	227.351	4.688	0	10	BJAE	
C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)C1(C)CC1	36994652	XPEHWAKAQLBKDT-UKRRQHHQSA-N	245.410	4.552	0	10	BJAE	
CCCN[C@@H](c1sccc1C)[C@@H](C)CCC	42730286	LISQZEYJMRNTFS-WCQYABFASA-N	239.428	4.533	0	10	BJAE	
CCCN[C@@H](CCC)CCCCC(C)(C)C	70745720	XKWOHLHBFKDSQO-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
Cc1cc(C)c([C@H](O)C2CCCCCC2)cc1C	87946567	JZPNQRJRGAHTOV-QGZVFWFLSA-N	246.394	4.616	0	10	BJAE	
CCC(=O)c1cc2cc(C)cc(C(C)(C)C)c2o1	88071667	AMDKDKUCGPJYNF-UHFFFAOYSA-N	244.334	4.631	0	10	BJAE	
CCCN[C@@H](c1cc2ccccc2o1)[C@H](C)CC	93188090	XHOQVOFLVKAMEP-MLGOLLRUSA-N	245.366	4.520	0	10	BJAE	
CCCN[C@@H](C1CCC(C)(C)CC1)[C@H](C)CC	93188276	PKQMAMSRZQKEOT-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)c1cc(C)cc(C)c1	124404841	JREYZHJKRUNXQO-RDJZCZTQSA-N	247.426	4.910	0	10	BJAE	
CCC(CC)C[C@H](O)c1ccc2ccccc2c1	148094415	VADGOIYZIIFLAS-KRWDZBQOSA-N	242.362	4.700	0	10	BJAE	
Cc1ccc(C(=O)CC2CCCCCC2)s1	168410381	WSTJAPRFBBNINT-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
O[C@@H](CCC1CCCCC1)C1=CCCCCC1	203412806	ZBTYQUVYIOPFQI-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCN[C@@H]1CCC[C@H](C(C)C)C1	230996459	CTGWAJPHIUZAEI-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)Nc1cccc(Cl)c1C	233284473	RNGZFQUVCNUIRX-LLVKDONJSA-N	225.763	4.639	0	10	BJAE	
CCC[C@H](C)[C@H](CNC(C)C)c1cccc(C)c1	233346068	FRZJQWSFDBJWFM-RDJZCZTQSA-N	247.426	4.513	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2cc(F)ccc2C)C1	235401429	CXQRLADQPFTGDC-SMDDNHRTSA-N	247.357	4.538	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@H]1CC1CCCCC1	235718950	JPOLWDPCOJYYDG-GUYCJALGSA-N	243.394	4.630	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1C[C@H]2CC[C@H]1C2	250475441	WQKTVSPLNIJZDD-SOUVJXGZSA-N	244.378	4.625	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1C[C@@H](C)C[C@@H](C)C1	252168889	QWFUAWKFWUBTJK-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H](C)CC(C)C	300997517	WORKKLOJTDCNCX-UONOGXRCSA-N	226.404	4.844	0	10	BJAE	
Cc1ccc([C@H](C)NCC2CCCCCCC2)o1	302316766	PTXHXVDIDLTUPT-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
C[C@@H](C(=O)CCCC(C)(C)C)c1ccccc1	304147527	MXXRCLKHAIKCBU-CYBMUJFWSA-N	232.367	4.576	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H](C)CC(C)C)C1	304187141	SIGMPFRJLJCXPT-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CSc1ccc(NC[C@H](C)C(C)(C)C)cc1	304275065	LFFIKKDAHGNELZ-NSHDSACASA-N	237.412	4.503	0	10	BJAE	
CC(C)(C)CCCNc1ccc2ncsc2c1	305938716	QSCBQJXXJLXHRP-UHFFFAOYSA-N	248.395	4.535	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H]2/C=C/CCCCC2)cc1	306016756	PNNHHTQMESFHRD-YFZXXLGGSA-N	243.394	4.535	0	10	BJAE	
Clc1ccc2c(ccn2CCC2CCCC2)c1	310066102	FBDMPXUHYFWFFB-UHFFFAOYSA-N	247.769	4.875	0	10	BJAE	
CCC[C@H](Nc1ccc(C(C)C)cc1)C1CC1	310207456	FHLKCHANWIKWHX-INIZCTEOSA-N	231.383	4.801	0	10	BJAE	
Cc1cc(F)ccc1C(=O)C[C@H]1CCC[C@H](C)C1	311022737	REQPIDZXYOITFI-AAEUAGOBSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)c1nc2c(s1)CCC21CCCCC1	313043861	RWXOFDROXICKDZ-UHFFFAOYSA-N	249.423	4.589	0	10	BJAE	
CCCN[C@H](CC[C@H](C)[C@@H](C)CC)C(C)(C)C	319418705	BFOAVPHPUXFVEX-SOUVJXGZSA-N	241.463	4.863	0	10	BJAE	
CCCNCC1([C@@H](C)[C@H](C)CC)CCCCC1	319525742	DTLIIUUOAWCQSL-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCCNCC[C@@H](C)CC/C=C\c1ccccc1	324086613	AYVPYMVONAAYLY-LJEUOOAZSA-N	245.410	4.506	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC/C=C/c1ccccc1	324286609	OCYRQJNULLIVJW-IEVHZMJVSA-N	245.410	4.634	0	10	BJAE	
Cc1cc(NCCCCCC(C)C)ccc1F	383170440	SDABVOSCIFVWHG-UHFFFAOYSA-N	237.362	4.762	0	10	BJAE	
CC1CCC(CC(=O)C2(C)CCCCC2)CC1	383634623	XYAMKAHLEBWSKD-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC1CCC(C)CC1	383896918	MYPZPFBFRBQLJD-FJBKBRRZSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](C[C@@H](N)CC1CCCC1)C1CCCCC1	383961122	HPWCFHJOYMESBB-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CCCC[C@@H]2C)cc1C	385024604	OXDUOLDVQFYODG-XHDPSFHLSA-N	244.378	4.621	0	10	BJAE	
CCCN[C@H](c1ccccc1C(C)C)C1CCC1	386234837	BCISLBJOOPEYEM-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1C[C@H]1CC(C)C	387833243	OTIUYYUIMJVKRN-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)C1(CCC)CC1	390482800	MCTVTNDMUCWXHC-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1ccccc1C(C)C	393855087	RYKDCLMTRXGZNZ-XJKSGUPXSA-N	234.383	4.526	0	10	BJAE	
CC(C)c1ccccc1[C@@](C)(O)CCC(C)(C)C	394132141	NRUTZIKTQWYGGM-KRWDZBQOSA-N	248.410	4.844	0	10	BJAE	
CC/C(=C/C(CC)(CC)CC)CNC(C)(C)C	395111105	BTBFDCUOASYWEG-OWBHPGMISA-N	239.447	4.927	0	10	BJAE	
CCC[C@@](O)(c1ccccc1C(C)C)C(C)(C)C	395290326	YQCIMTWRSZALRI-QGZVFWFLSA-N	248.410	4.844	0	10	BJAE	
CCNC[C@@H]1CC[C@H](CC)C[C@@H]1CC1=CCCC1	400526201	ALSFOOCLOOGWPC-BHYGNILZSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C1C(C)(C)C1(C)C	401021565	HGDZIIXJJOWOCN-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1coc2ccccc12	404639369	KVCOJYLZFCUOSJ-BLLLJJGKSA-N	246.350	4.683	0	10	BJAE	
CN[C@H](c1cccc(C(C)C)c1)[C@@H]1CC[C@H](C)C1	688941085	VYLIXJWLLGGXNY-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1Nc1cccc(C)c1F	691139770	PRAKPRQACHIHTN-ZIAGYGMSSA-N	249.373	4.905	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCCC3(CC3)C2)CC1	695718333	UQXDMCAZNUSNSL-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCC(C)(C)CC[C@H](N)c1cc2ccccc2o1	696574617	RPTGTWJPFCHFDR-ZDUSSCGKSA-N	245.366	4.649	0	10	BJAE	
CC(C)C[C@H](C)CN[C@@H]1CCCC(C)(C)CC1	697577955	BBPIJQHXAPJNSD-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)NCC(C)(C)C(F)(F)CC	700736547	CMNVLKCHXRDAIE-UHFFFAOYSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@H]2CCCC23CC3)CC1	706288500	HUSFGCFCPOZQJS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1)[C@@H](C)CC(C)(C)C	708257449	YKCHLAARKWWLOB-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)CCC1CCCCC1	708315358	OOEGBOIMKNOVQA-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCCCCCN[C@@H]1CCCCC[C@H]1CC	709131970	GVJHBNGHDPPRRZ-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H](C)C(C)(C)C)C1	711205290	AXRBFAVOSLNQAA-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
C[C@@H](C[C@@H]1CCC(C)(C)CC1=O)CC(C)(C)C	717456326	UQEPFQKRTCJUTF-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1sccc1Cl	718568845	XEMWFEMVCYCKAH-NSHDSACASA-N	243.803	4.538	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C[C@@H](C)CC	718591354	XFYOUHPAXFUQLU-ZFWWWQNUSA-N	225.420	4.537	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)[C@H]1CCCC1(C)C	718597126	YZGOMAFRCXMYSJ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCCC(C)(F)F)C(CC)CC	718656050	FOEWERPCPBGEFD-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
Cc1cccc(N[C@H]2CCCCCC2(C)C)c1	719270895	XIUZPLVCQVSATQ-HNNXBMFYSA-N	231.383	4.766	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C(C)(CC)CC	721774394	YMUBPMKNXJCQRE-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(N[C@@H]2CCCC3(CC3)C2)ccc1C	723572453	AUPPPZHJPXACLG-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
C[C@H](N[C@H](C1CCCCC1)C1CC1)C1CCCC1	723981711	KUHCODWUOUIPEQ-SUMWQHHRSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCCC[C@@H]1CN1CCCC12CCCCC2	1168233198	FHNBFBYZGPZIJF-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCCCC1(NC[C@H]2CCCC[C@H]2CC)CC1	1184253480	VYINLTWRZNIWSA-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](NCC1CC2(CCC2)C1)C1CCCCCC1	1193260865	KQGYOSICKKSPFH-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCN(CCC(C)(C)C)c1ccccc1Cl	1658415795	GAQOYNAFPNBJBU-UHFFFAOYSA-N	239.790	4.603	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@@H]2CCCCC23CCCCC3)C1	1875414352	LPUNBGLVICPPKO-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CCc1cscc1N[C@@H]1CCC[C@@H](C)[C@@H]1C	1902389734	GOXFYEJEWVFUOM-NTZNESFSSA-N	237.412	4.547	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc(CC)s1	1905445591	QQUAWTULRPXCOM-AAEUAGOBSA-N	239.428	4.527	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)CC1(C)CCCC1	1905452403	CRIPUWNKZQOXJW-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1CC1(N)CCC(CC)(CC)CC1	1907003613	BZRWTHKUZFLHNE-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](O)CC1CCCCC1	1908564927	WYNHMNWPSSAOMX-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCCC[C@H]2O)CC1	1909704430	DASPIYJYEVXHPX-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCC(C=C(C)CNC(C)(C)C)(CC)CC	1911632429	IBKLSETVFHFGEH-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CC=C[C@@H](C)Cc1ccc(CC(C)C)s1	1911828983	USSYQFITWYYXNC-GFCCVEGCSA-N	222.397	4.701	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC3(CCCC3)C2)c1	1916402129	MCUDDOGSOYVMON-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
CCCC[C@@](O)(CC)CC1(C)CCCCC1	1919514177	JFJGSFUSUAWLAP-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
C[C@@H](C[C@H]1C=CCCCC1)C(=O)c1ccccc1	1925763788	RQQFJVULNVQFFF-GJZGRUSLSA-N	242.362	4.642	0	10	BJAE	
Clc1cccc(C[C@@H]2C=CCCCC2)c1	1925821747	WPMBPMFLWBDUKG-GFCCVEGCSA-N	220.743	4.629	0	10	BJAE	
CC(C)(C)CCC[C@H](N)c1ccsc1Cl	1933723529	QSPFLMDVSNVGEU-JTQLQIEISA-N	245.819	4.618	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)Nc1ccc(Cl)cc1	1939045790	DJGKLJJFAYZRCW-NWDGAFQWSA-N	239.790	4.823	0	10	BJAE	
CC1(CC2(CN)CCCCCC2)CCCCC1	1940401314	LOJTYUAMTKRGSD-UHFFFAOYSA-N	237.431	4.646	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)[C@@H](C)C(C)C	1940414372	IRZWTDJJBAEKTL-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)C1CCCC1	1940873325	BSIZLFDSDAGCAZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC1([C@H](N)CCCCCC2CC2)CCCC1	1941585849	HZZNRNCHGLFCIL-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1CCCC1CC1	1941687930	QDFVZKCBVRJGIP-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(NCC2CCC=CCC2)cc1Cl	1941820649	CLRFHMCUTXWPDJ-UHFFFAOYSA-N	249.785	4.807	0	10	BJAE	
c1cc(NC2C[C@@H]3CC[C@H]3C2)c2sccc2c1	1941960161	ONELTAFRDCNUBT-RYUDHWBXSA-N	243.375	4.502	0	10	BJAE	
CCC[C@@H](C)CCN[C@@H](C)CC1CCCCC1	1942800590	DWIIMQYQJDFOQN-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)NC[C@]1(CC(C)(C)C)CCCC1(C)C	1944476078	SVVPKLCAZCTPKV-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCCC)[C@@H]1CC12CCC2	1944508915	BTJGAQBIRHTPIV-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](C)CC(=O)C12CCC(CC1)C2(C)C	1945634409	IVAJYSNSBSFXMQ-VEAWUBTESA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)(C)C)CC(C)(C)F	1947081567	RZGJKRYLMCBISR-CHWSQXEVSA-N	245.426	4.565	0	10	BJAE	
CCCCC[C@@H](NCCC)c1c(C)coc1C	1947527237	SUICIZXSWXHLEY-CQSZACIVSA-N	237.387	4.517	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1NC1CCCCCCCCC1	1947880148	FKVGOHQNTXSXBE-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](CC(F)F)C[C@](C)(N)CCC(C)(C)C	1949019553	XTLCZYVSOCCPOK-BXUZGUMPSA-N	249.389	4.602	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CCC[C@@H]1CC1(C)C	1949052667	DGPUDUHODHHUJS-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)CC2CCCCC2)C1	1949915411	HRSHKCHVIFNBCP-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(Cl)cc2c3c([nH]c12)C[C@@H]1CCC[C@H]31	1950249769	QDRGWFVZTJELHG-ONGXEEELSA-N	245.753	4.570	0	10	BJAE	
Cc1cccc(NC(CC2CC2)CC2CC2)c1C	1968250606	PRVVVJGHJBYVIV-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CC(C)C[C@H]1CC[C@@H]1Nc1ccccc1Cl	1968256820	QSJPIIVZVUAHCA-YPMHNXCESA-N	237.774	4.577	0	10	BJAE	
Cc1cccc(OC[C@H]2CCCC(C)(C)C2)c1	1968270217	JDMZVEKCWGAPDC-AWEZNQCLSA-N	232.367	4.590	0	10	BJAE	
CCC(C)(C)CN(CCC(C)C)C1CCCC1	1968815494	KDXMCUYOSFNDCF-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC(C)C(CNc1ccccc1C1CC1)C(C)C	1969417029	RLFCADQXPVUPEN-UHFFFAOYSA-N	245.410	4.904	0	10	BJAE	
CCC(C)(C)CN1CCC[C@H](C(C)(C)C)CC1	1969637547	JTDAUCHLVODRNJ-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1CC[C@@H](NC2(C3CCCCC3)CC2)C[C@H]1C	1970594545	FSJYCDCBUHZIKY-IIAWOOMASA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)NC(CC1CC1)CC1CC1	1970829458	PUQAXRZHSNPFFR-OAHLLOKOSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC1CC2(CCCCC2)C1	1972429315	ZWMWQTWVIVVDOI-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC(C)CC[C@@H](N[C@@H]1CCCCC12CC2)C1CC1	1972745202	RZGHHFIREFTJCG-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCc1cc(C(=O)C(CC)(CC)CC)cs1	1978455432	KGKCVAZLZZRASC-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CC=CCCCNc1cc(C)c(F)cc1Cl	1984606938	NVBXDMOEXRWRDV-UHFFFAOYSA-N	241.737	4.556	0	10	BJAE	
C[C@@H](CCC1CC(=C2CCC2)C1)CC(F)F	1985533381	VIDQOFIFPLQWQV-JTQLQIEISA-N	228.326	4.948	0	10	BJAE	
C[C@H]1CC[C@H](CNc2ccc(Cl)cc2)CC1	1989812810	UWRIJLMIWMICRO-HAQNSBGRSA-N	237.774	4.578	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@@H](C)C1	1990092568	BCKYWFBVYDTDPT-QLFBSQMISA-N	225.420	4.514	0	10	BJAE	
Cc1c(Cl)cccc1O[C@@H]1C=CCCCC1	1990987770	OLJHQPPFQPVZCM-GFCCVEGCSA-N	236.742	4.526	0	10	BJAE	
CC1(c2nc(C3CCC3)cs2)CCCCC1	1995470581	ZIKMYFLROCMQDN-UHFFFAOYSA-N	235.396	4.632	0	10	BJAE	
CC1([C@@](C)(O)C2=CCCCCC2)CCCCC1	1995990922	LFTMZTZLHCRRNG-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@](O)(CCCC(C)(C)C)C1CCCCC1	1996549403	VHQAEYIBVVKZMF-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CC(C)Sc1ccccc1N[C@H](C)[C@@H]1C[C@@H]1C	1996563816	JNXAZTUTHIBDMI-YNEHKIRRSA-N	249.423	4.644	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](CCC(C)C)NC)CC1	1997117158	PHMRRLJWCPSLFK-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@H]1CC=CCC1	1997549734	CGZZBRKVASZPGH-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@](C)(N)C1CC(C)(C)C1	1998649686	MSWNJOAIEPGGKV-LRDDRELGSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)[C@H]1CCCC(C)(C)C1	2000062539	MVKJZWNDMLXQKF-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C(=O)[C@@H]1CCCC(C)(C)C1)C(C)C	2000100055	SMZOYQYDFVJZOV-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2CCC[C@H](C)C2)CCC1	2000196356	HNOVCXMPZQFYSJ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@@H](C)[C@H](C)CC	2000519388	CFIZUVHEZDTZSG-OWCLPIDISA-N	241.463	4.865	0	10	BJAE	
CC1(C)CC[C@H]([C@H]2CCCCCCCC2=O)C1	2003071548	ZVFHXHIYUVOFBE-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@H]1CCCC2(CC2)C1	2003220901	LCVBWQWFAFXPEC-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1NC1CCC(CC)(CC)CC1	2004342312	RGFZTTDZJHTANT-HIFRSBDPSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)[C@@H]1CCCCC12CC2	2005562825	FQZJSVWFFOAPSQ-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@H]1CCCCC12CCC2	2005601691	SYGUGPFYLZORDO-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H]1CC[C@H](C)CC[C@H]1NCC	2009408855	WRBCSXRXNPPHNS-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC[C@](N)(CCC1(C)CC1)CC1CCCCC1	2009537472	XOMUHVFVOORABS-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@](C)(CCC1(C)CC1)CNC(C)(C)C	2009543215	DGGLWTNOUNCNEF-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	2009589741	NXYSDSQKECDWLT-GADLPXAVSA-N	238.415	4.556	0	10	BJAE	
C=C=CC[C@H](C[C@@H](CC)CCCC)NCCC	2009750560	WLYLASYAGQPACG-JKSUJKDBSA-N	237.431	4.692	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1(CC(C)C)CC1	2015742770	OVVSDNJTSKMEBW-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CC1(C(=O)O)CCCCCCC1	2017419642	PZGMQGQVLNZSBI-UHFFFAOYSA-N	238.371	4.548	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C1=CC[C@@H](C(C)C)CC1	2017715802	KIBZOTZZFWGBFW-CZUORRHYSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](CC)CNCC)CC1	2017728694	OHCZQTDWNDUOLP-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(N)CC(C)C)CC1	2017730258	FWSLDVRXLXEWIS-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1[C@H]2CCCC[C@H]21	2018136158	IDLIIVSUBKCQQW-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC)NC1CC(CC)(CC)C1	2018136250	JHZRKRFQCCRZSI-CQSZACIVSA-N	239.447	4.904	0	10	BJAE	
CCCC1(C[C@@H](NC)C2(CCC)CCC2)CC1	2019000614	RJMHYEUAPDTBGY-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCN([C@H](C)CC)[C@H]1C=CCCCCC1	2019118279	TWPWVJDHNLUOBR-CVEARBPZSA-N	237.431	4.776	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(CC(C)C)CC(C)C)C1	2019199429	DRBUUESJWKLHDT-CVEARBPZSA-N	239.447	4.569	0	10	BJAE	
c1cc2cc(N[C@H]3CCC4(CC4)C3)ccc2s1	2021787404	HRTYJJVWCQIKBD-ZDUSSCGKSA-N	243.375	4.646	0	10	BJAE	
CC(C)c1ccccc1NCC(F)=C1CCC1	2023244641	GAPJAYUSVYKIGA-UHFFFAOYSA-N	233.330	4.629	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@H]1CCCCCC(C)C	2023609965	XDJCZOMVQRMHKA-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@](C)(N)CCC2CC2)C1	2024090456	YUFQJPUBGBYUIF-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]1CCC(C)(C)C[C@H]1CC(CC)CC	2024117101	KIUGLUMVDNUQIE-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H]1CCCNC12CCCCC2	2024624985	YAQNVDBFUBRIEN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC1CC(CC)C1	2026061431	OSQCYZNAKKAWBP-WLYUNCDWSA-N	238.415	4.988	0	10	BJAE	
CC1(CC[C@H](N)c2cccc(C3CCC3)c2)CC1	2027734811	GEOHRYMVVILMFC-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC(C)c1ccc(C(=O)CC[C@@H]2CC2(C)C)cc1	2027818491	LUOJOBOAQNMIOM-OAHLLOKOSA-N	244.378	4.819	0	10	BJAE	
CC(C)(C(=O)c1cccc(C2CC2)c1)C1CCC1	2028558792	ZWMXXGLUWVSQNV-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
c1cc2c(cc1CCCCCC1CC1)CCCN2	2028631508	PJCHBTSEQLQZPH-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
C1CCCC(NC[C@@]23CCCC[C@H]2CCC3)CC1	2031755138	REMLQZBJRZAPEO-RDJZCZTQSA-N	249.442	4.659	0	10	BJAE	
CCC1(CNc2ccccc2C2(C)CC2)CCC1	2032246026	NUTZPJPLHQNXKY-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CC[C@@H](C)[C@H]1C(C)C	2035413614	VPPFLGAQJNEVLB-KCPJHIHWSA-N	249.373	4.617	0	10	BJAE	
CC(C)=C(C)CCN[C@H]1C[C@@H]2CCCCC[C@@H]2C1	2035863713	VNLSKWBGYPVZMM-BJWYYQGGSA-N	249.442	4.681	0	10	BJAE	
CCCC1(CN[C@@H]2C[C@@H]3CCCC[C@@]3(C)C2)CC1	2036669003	WHICOBBMFQRQAS-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(C[C@H]2C=CCCC2)CCCCC12CCCC2	2037304659	GUGLXCUOBWRTHE-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@H]2C=CCCC2)cc1	2039439665	ZMCHPAMMBBZJCN-LSDHHAIUSA-N	243.394	4.968	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2CC3(C2)CC(C)(C)C3)CC1	2039459833	HXLBDRHGVMCMCP-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
CCC1(C(=O)c2ccccc2C2CCC2)CCC1	2039728057	CNRZLPUZUWPYTE-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC2C[C@H]3C[C@@H]3C2)CC1	2041378874	HGOZUSABZBBHRC-OEAJRASXSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC([C@H](NC)[C@@]2(C)CC=CCC2)CC1	2042026768	HLAPGFXUJBOULG-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCCCN[C@H]1[C@H]2C=CC[C@H]1CC2	2042517608	UNIJNBLWURORAD-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CC[C@H]3CCCC[C@H]32)C1	2045386019	UTFNMCCSNQNIRK-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@@H]1CC12CCCCC2	2047008058	LYKDNNNEUOFZOZ-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@](N)(C[C@H]1[C@H]2CCCC[C@H]21)C1CCCC1	2048446143	HEQAJDMGTVIGDI-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CC([C@@H]2C[C@H](C)Nc3ccccc32)C1	2048634858	SZHQCSZXDXONRP-USPMSXPRSA-N	243.394	4.657	0	10	BJAE	
C[C@@H](C=C1CCC2(CCCN2)CC1)CC(C)(C)C	2048954636	YIMNKWYTHKQBTC-MBIQTGHCSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1CCC([C@H](C)Nc2ccccc2)CC1	2049418269	PCWDUNGKYIWJAS-FHERZECASA-N	245.410	4.949	0	10	BJAE	
C[C@H](NC1CC2(CCC2)C1)[C@H]1CCCC(C)(C)C1	2049535637	GRRDAAKPISUTHQ-KBPBESRZSA-N	249.442	4.514	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1CC[C@@H]2C[C@H]2C1	2049644163	TZEJCLPSRKXYBM-ZJIFWQFVSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@@](CN)(CC2CCC3(CC2)CC3)C1	2049852682	HRWLGJBUNOPXEL-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C[C@@H]1CCC2(CC2)C1	2049955375	UIFRNVXVYFFQHK-DZKIICNBSA-N	246.394	4.518	0	10	BJAE	
C[C@]1([C@H](O)C[C@@H]2CCC=CCCC2)C=CCCC1	2050010729	WHDPTRCMRMRSDX-ZACQAIPSSA-N	248.410	4.620	0	10	BJAE	
C1CCCC(N2CCCC[C@H]2C2CCCC2)CC1	2051678266	PFKOSMVDGKEEQV-KRWDZBQOSA-N	249.442	4.754	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@@H]1CCCCC12CCC2	2053410681	GGEBFZHUTYKIHI-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CCC1CCCC1)[C@@H]1CCCCC12CCC2	2053411952	MBAQSCFCDHNFRI-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCC1(CNC[C@H]2CCCCC23CCC3)CCC1	2053434322	QKEMQKKFKVYXJS-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H]1C[C@H](C[C@@H]2CCC=CCCC2)CC[C@@H]1C	2055584235	MAYJMBHUZUQKPU-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@@H]1C=C(C)CC1)C1CCC(C)(C)CC1	2055846922	XNMJOWSKCNVRNR-HOTGVXAUSA-N	249.442	4.680	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1[C@@H](N)C[C@H]1C=CCCCC1	2056447534	JTVHBDYWACRYST-QAETUUGQSA-N	249.442	4.523	0	10	BJAE	
O[C@@]1(C=C2CCCCC2)C[C@@H]2CCCCC[C@@H]2C1	2056861931	DHKYSTMMNBATSN-BJWYYQGGSA-N	248.410	4.598	0	10	BJAE	
C/C=C/CCCC(=O)[C@@H](c1ccccc1)C(C)C	2059203802	NSKQMTXWPZWUEH-LAQIPUCWSA-N	244.378	4.742	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCC[C@@H]3CC[C@@H]32)C1	2059393270	CRXPMWOCMLLYBF-QTPCEWDRSA-N	249.442	4.514	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](N)(C2=CCC(C)(C)CC2)C1	2061112042	BNWXMJYTDIODJF-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@@H]1C[C@H](C)CC[C@@H]1CNC(C)(C)C	2061561365	RCCJCUQIRSDART-BZUAXINKSA-N	249.442	4.548	0	10	BJAE	
C=C=CCC[C@@H](NCCC)[C@H](C)C1CCCCC1	2061563227	MSTQRVCQBLXSHT-NVXWUHKLSA-N	249.442	4.692	0	10	BJAE	
CN[C@H](CCC1CCCC1)CC[C@]12CCC[C@H]1C2	2061625859	GQPMBGCGOUREJG-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCc1cccc2ccn(CCC[C@H]3C[C@@H]3C)c12	2062614675	IBKCJOIJZJRSKV-BBRMVZONSA-N	241.378	4.640	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@]3(C)C[C@H]23)cc1	2065658427	SOTRQAUDOUSMNT-BRWVUGGUSA-N	243.394	4.630	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068698302	JDDDSCQSJLMQEE-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@H]1C[C@@H]2CC[C@@H]2C1	2068767815	IZMSCDVMLHZKCY-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](C)c2ccc(CN)cc2)CCC1	2069345729	XVTXXEBGGGUILQ-CQSZACIVSA-N	245.410	4.609	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@]12CCC[C@H]1C2	2070919838	ZBLJXGNUAHBVAF-RDJZCZTQSA-N	244.378	4.687	0	10	BJAE	
CC(C)C1(C[C@H](N)[C@H]2CCCCC23CC3)CCC1	2071949900	MDZPHJUYUKOYBP-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H](C)C2CC=CC2)CC1	2072702269	KANVJLAXHNUPTD-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H]([C@H]2CCNC3(CCCCC3)C2)C1	2074142650	UZRYYLDRDONWNQ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN(CC(C)C)c2ccccc2)CC1	2074590519	LBKFZYFQVCXPKE-UHFFFAOYSA-N	245.410	4.729	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H]2CCCCC23CC3)CC1	2074649681	WFABJBVOHCOJPA-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC[C@@H]2CCCC[C@@H]21	2074896714	RCPHQJIKFOXTBH-QZWWFDLISA-N	249.442	4.610	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCCC2)CC[C@@H](CC)C1	2075373425	OMWIDXNHKONINB-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCCN(C[C@@]12CCCC[C@H]1C2)C1CCCCC1	2076591725	RFBNIZPVXPQYOY-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)c1ccc(F)c(C)c1	2077189869	MJXOSKBWBHKPNQ-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CCCC[C@@H](CC)CN1CC2(CCC2)C12CCC2	2077939828	ZBZLCRBTAGFKOZ-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC1(C[C@H](N)[C@H]2C[C@@H]2C2CCCCC2)CCCC1	2079427244	HDHMHUYKLWKQBJ-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@@H]1C[C@@H]1C(C)C	2079428876	SHMDDMWRIIEAMY-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](C[C@@H]1CCC=CCCC1)NC	2079441268	WJESRHVBFUPMFL-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@]1(CN)CCCCC12CCC2	2079663667	BLLSVSWMSRUOFJ-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CC(C)(C)NC[C@]1(CC=C2CCC2)CC=CCC1	2081675935	BIAXNHXKSBWBCM-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CCCN[C@@H](c1cc(C)cc(C)c1C)C(C)(C)C	2082918993	MHTQFKVDXDUJGN-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(CN)CCCC23CC3)C1	2082991649	SGIYXAVQVXVLPN-WMLDXEAASA-N	249.442	4.502	0	10	BJAE	
CC1(C)C[C@H](NC2CC3(CCCCC3)C2)C1(C)C	2084369074	USXOBMPFSPSDSA-AWEZNQCLSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)CCc1nc2ccc(C)cc2[nH]1	2085921765	GJZOGBRXEPGAHF-LBPRGKRZSA-N	244.382	4.630	0	10	BJAE	
CCCCCCC(=O)c1sc(C)c(C)c1C	2211700617	SQECPFPWUAJZIB-UHFFFAOYSA-N	238.396	4.826	0	10	BJAE	
CC[C@](C)(CN)CCCCCCCC1CC1	2212450874	OYCWHMLOETYHBJ-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H](CC)C1CC1	2212631214	MBXBDZALCWLLJJ-CYBMUJFWSA-N	237.774	4.503	0	10	BJAE	
CC(C)(C)C[C@H]1C[C@H](NC2CCCCCC2)C1	2213130764	PRILZWBPYXDUFN-CTYIDZIISA-N	237.431	4.514	0	10	BJAE	
C[C@@H](C[C@@H](N)CCCCCCC1CC1)C1CC1	2213580931	QHSLOYPYOLTPHR-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C(CCNCCCCCC1CC1)CCC1CC1	2213596948	YJMZGTWRUVFCIY-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC1(C)CCC(C(=O)CCCCC2CC2)CC1	2214571146	VCQIISJTSXIBPR-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@H]1CC[C@H]1C	2215102533	TXMGZHDVWWRQIQ-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)c2scc(C)c2C)CC1	2215807174	MYDQEVBDJQGRSG-HNNXBMFYSA-N	248.391	4.684	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)CCCCCCCC1CC1	2216860482	AXWMBKKKQQVPOM-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H](C)CC)CCCC[C@H]1C	2217125896	BKZXRNIYFNJZFI-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)NC[C@H]([C@@H](C)[C@@H](C)CC)C(C)(C)C	2217129325	KDSKVFZZNSUQQW-ZQDZILKHSA-N	241.463	4.719	0	10	BJAE	
CCC1CC(CC(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218330761	BMRDKEBKRPPDMQ-VBFVWNODSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC(N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218360294	AMLQWUMUMSVERN-ZIJBQXMVSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)C(C1CC1)C1CC1	2218731633	OBUCHYZOVYIBLJ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@](O)(CC)CC=Cc1ccccc1	2219051750	YIMNJSHDAAUVKU-QGZVFWFLSA-N	246.394	4.811	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)(C)C1)C1CC=CC1	2221039194	IELOBKZZOUMEOJ-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC(C)(CC(=O)[C@@H]2CCCC23CCC3)C1	2221086037	MKJYUOZTSIWKOL-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
CCC[C@](O)(c1c(C)cc(C)cc1C)C(C)(C)C	2222008097	BFXSEYPYXQLLAV-KRWDZBQOSA-N	248.410	4.646	0	10	BJAE	
CC[C@H](C)NC[C@@H](c1ccc(C)cc1)[C@H](C)CC	2223549437	JDMBNGSFJJUHIR-HLLBOEOZSA-N	247.426	4.513	0	10	BJAE	
CC(C)[C@@H](C)C[C@@]1(CNC2CCC2)CC=CCC1	2223599321	JZPKUQLFKCOBLU-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CCCC1(CN2CCC[C@]2(C)C2CCC2)CCC1	2223847837	IVTJWXUQJHFLII-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC(C)[C@H](C)C(=O)CC[C@H]1CCCCC12CC2	2246630616	PYJILSMYNLINDN-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(Cl)c(NC2CC3(CC(C)C3)C2)c1	2246850947	UEZOIKFYOACVHB-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](O)CC1CCCC1	2247129437	OHZSGCXRIIZBJG-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@H]1CCC1(C)C	2247448319	SLXDUAZXDGLSRB-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
O=C(CC1=CCCCC1)CC1CCCCCC1	2247531141	GWYVEBWQJHEKBC-UHFFFAOYSA-N	234.383	4.807	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc(C(C)C)cc1	2250362471	VBRLFGQPJLWDRE-CYBMUJFWSA-N	232.367	4.819	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](C)CC1=CCCCC1	2250390664	SQXOBSFULADINS-LSDHHAIUSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@]23C=C[C@@H](CC2)C3)C1	2253916985	IBULWZQCIGLQPH-AESZEHBQSA-N	246.394	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)C2CC3(CCC3)C2)C1	2253931224	PTRKOQJVOHBUJY-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H]2CCNC3(CCC3)C2)C1	2253944585	OQDHVOMEQKFMFR-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)CC1CC2(CCCC2)C1	2254110057	DBXZNZHCGWQVFF-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCNCC(C)(C)C1=CCCC1	2254505462	MXVOABXTNDFQJH-CABCVRRESA-N	249.442	4.539	0	10	BJAE	
C[C@H]1C[C@H]1CCCCN1CCC12CCCCCC2	2254588301	SJCKPNZXUBQJLZ-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1C[C@H]1CCCC[C@@H](N)C1CCC2(CC1)CC2	2254607299	SQZNWHZILAPUIE-NUEKZKHPSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@H]1CCC1(C)C)[C@@]1(C)C=CCCC1	2255015630	SQVZDMRNPLYKHJ-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CCCC23CC3)C1	2255329498	ZXNXLYABUWGWGV-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCCc1ccccc1N[C@H](C)[C@H]1CC12CCC2	2256452465	SECVYXPBMUUBCF-UKRRQHHQSA-N	243.394	4.630	0	10	BJAE	
CC(=CCCCC[C@@H]1C[C@@H]1C)[C@H]1CC[C@@H](N)CC1	2257250916	BIZWORWXMHWRIX-MWDXBVQZSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CC2CC3(CC(C)C3)C2)C1	2259583453	UHMVPWWFLIXALZ-ZJVBCEJDSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCC12CC(N)C2	2259613617	KFJKBOZUUHWAFN-OOHWJJMZSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@]12CCC[C@@H]1CC2	2260516381	MMLNIFMOTRNPLV-JYYAWHABSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C[C@@]23CCCC[C@H]2CC3)C1	2260677378	FIUXYNNKBDIXKI-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C=Cc2c(F)cccc2Cl)cc1	2293520606	AKBITDYLEKWRTF-UHFFFAOYSA-N	246.712	4.958	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC[C@@H]1C[C@@H]1CC	2298134909	PVHHUNNVSJBTIA-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CCC(CC)CC[C@]1(O)CC[C@H]2CCCC[C@H]21	2300683166	GVYLXFVHKHJVLH-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@H](NC)C1(C(C)C)CCC1	2300691031	OYNGMPHKAFIZFK-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@](C)(N)C1CCC(C)(C)CC1	2300876968	MAUYZSLRCYOFKN-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)CC1CCCCCC1	2301143330	SWNUXGUOJJQVSF-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CNC(C)C)[C@@H](C)[C@H](C)C(C)C	2301837264	AUTFTMQIDHJRNF-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
C/C=C/CCCNc1cc(F)ccc1C(C)C	2301909404	CEVOOLZGWYLXNO-SNAWJCMRSA-N	235.346	4.717	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(N)CC1CCC(C)(C)CC1	2301942791	SOLDBUBLPYQKJO-BBRMVZONSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@@H](CCC)C[C@H]1CCC(C)(C)C1	2302711423	YWSXIBSPLLOZOX-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@@H]1CCC(C)=C(C)C1	2303517181	UZCPRNDRNDFUBR-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC(C)c1cc(C=O)cc(C2CC(C)(C)C2)c1	2303997211	KYXIJCPWBGIFMG-UHFFFAOYSA-N	230.351	4.526	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H](CC(C)C)C(C)C	2307906879	AAJQVDIGXNGCLA-HRCADAONSA-N	242.447	4.882	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H](C)CC1CCC1	2313674350	YIDGSGNESPHOSE-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@H]1CCC[C@@H]2C[C@H]12	2316880489	JYUYZXFNPBGECZ-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCCCC1	2316945573	NZNJRFQTDVFBIG-OTRWWLKZSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCC1=CCCCC1)CC1(CC)CC1	2317964739	WNWDSXKIMKHZQA-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H](NCCCC1=CCCCC1)C1CCC1	2318523257	DLGOQFIBLFYHPW-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@@H](N)CCCC2=CCCCC2)C1	2318562372	VCTVAOBAZHCVFP-UAGQMJEPSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2CCCC[C@@H]3C[C@H]32)CC1	2319257961	GMXXTTWHRLRIRR-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@H]1CC[C@H]1C(C)(C)C)c1cccc(N)c1	2320241751	WVEYCSFMCJQAJD-XNRPHZJLSA-N	245.410	4.835	0	10	BJAE	
CC(=C[C@@H]1CC[C@H]1C(C)(C)C)C[C@H]1CCCCN1	2320251619	BNEAMQCRKBPOQS-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@H](CC2CC2)C2CC2)C1	2320818471	GKGFAPMLXGPPCL-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CCN2CCC23CCCCC3)C1	2321586096	BJVBZRDJDNIIMW-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H](N)[C@@H]2CCC23CCC3)C1	2321605235	JWWFKGHXKWRVBI-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@](C)(O)CC(C)(C)C)c1	2327696510	FTRWXDIGPSXZQT-QGZVFWFLSA-N	248.410	4.762	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)[C@H](C)CC(C)C)c1	2327708706	RKYPWIBTGWNHOA-PBHICJAKSA-N	248.410	4.834	0	10	BJAE	
CC(C)c1cccc(NC[C@]2(C)CC2(C)C)c1F	2327803757	HHMARPFXBKLJRX-INIZCTEOSA-N	249.373	4.797	0	10	BJAE	
Clc1ccc(-c2cc3ccccc3[nH]2)s1	1519038	VHQJOTSBQJDZBA-UHFFFAOYSA-N	233.723	4.550	0	10	BJAE	
CCc1ccc(N[C@H](CC)C[C@H](C)CC)cc1	21008768	AMHDAOUKXGXTSY-UKRRQHHQSA-N	233.399	4.876	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NC1CCCCCC1	21817416	GMXLMSNWBMRASM-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](C)[C@@H](CC)NCC	82443887	KAWOSGHQMXINNJ-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](C)CC(C)(C)[C@H]1CCCC[C@H]1CC	84416599	LZUVQWLWRPLOSB-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC1CCC([C@]2(N)CCC[C@@H](C3CC3)C2)CC1	85078621	AGURWXBWFOEXLE-INXRADFVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCCCC2(C)C)C1	94279400	XYRKQEQSUYEDKQ-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C/C=C\C[C@H](CC)c1ccc(C)c(C)c1	107529601	GJJCQFAGOVGTFQ-VSKVDJIOSA-N	202.341	4.763	0	10	BJAE	
CCC[C@H](C)CNc1ccc(OC(C)C)cc1C	109912240	XBAPSYSKQXDZMB-ZDUSSCGKSA-N	249.398	4.630	0	10	BJAE	
CCCCCC[C@H]1CCCCC[C@H]1NCCC	112869778	RSOBTPUHYTZIBB-JKSUJKDBSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@H](C)C(=O)c1cccc(CC(C)C)c1	127629154	UOWDWUWUXNKICF-CYBMUJFWSA-N	232.367	4.504	0	10	BJAE	
CC[C@H](C)c1cc(Cl)cc(Cl)c1	143304221	HHYFYQJXNNEUFW-ZETCQYMHSA-N	203.112	4.507	0	10	BJAE	
CCC(C)(C)c1csc(C(C)(C)CC)n1	148183044	XYYXCANILKTWPL-UHFFFAOYSA-N	225.401	4.518	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@@H]1CCC[C@@H](C)C1	165371284	LOEMVGAZOLPAKD-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CCC1(C(=O)C2C[C@@H](C)C[C@H](C)C2)CCCC1	166007424	AGRVVBZSEHFLNF-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC1CCC1)c1cc(C)cc(C)c1	167101608	HUTZOFPRHBIYBL-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCCCC[C@@H](O)C1(CC(C)C)CCCC1	168244726	HVWLIOPROTVQAU-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CCC1CCC([C@H](N)CCC2CCCC2)CC1	168784927	OIWDCLGESLEHQY-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC2CCCCC2)C1	203570117	PRIXHVQALQAIQT-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)c1csc(-c2cccc(C)c2F)n1	221860777	LNGUJGJNVSHQSC-SECBINFHSA-N	249.354	4.771	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NC[C@@H]2CC=CCC2)CC1	226537864	YLFUZEJHOKVLJS-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)c1ccc(C2CCC2)cc1	226799478	ZXKKCBPLHWPNTD-WBMJQRKESA-N	242.362	4.573	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCC[C@@H](CC(C)C)C1	230771215	JVPIFPYIZVVAEE-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCC[C@H](NCC)[C@H]1CCC[C@@H](CC(C)C)C1	230794042	PFRONVIRJBDQSE-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1N[C@H]1CCC[C@H](C(C)C)C1	230986275	QGTZTUPWDFLJNG-HOTGVXAUSA-N	245.410	4.876	0	10	BJAE	
CC[C@@H](C)c1ccc(Oc2ccccc2N)cc1	232337017	HQPYDBBUBPQPEU-GFCCVEGCSA-N	241.334	4.575	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)C1(C)CCCCC1	233176123	WNDRNHCYKQDQPF-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)[C@H]1CNc2c(Cl)cc(Cl)cc21	233873159	VDOMAAIQQHJQPU-GMSGAONNSA-N	244.165	4.549	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCC[C@@H](C3CC3)C2)C1	251882800	VIVGWWQKJWGTPM-SIXLDLHFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C[C@H](C)C(C)(C)C)C1	253058695	ZZUULIJJYXRGMW-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@H]2CCC23CCCCC3)[C@H](C)C1	299956666	QSWYUUULYNPRFK-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@H]1CCC[C@H](C)C1	300131730	FNITXVMMWCVRPD-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@H](CC(=O)CCC1CCCCC1)C(C)(C)C	304125634	JFSUAFLXGKPMBU-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC(C)C)c1ccc(C)cc1	305946249	MHVPNNUEELFMJU-WBVHZDCISA-N	247.426	4.718	0	10	BJAE	
CC(C)C[C@@H](C)C1(CNC(C)C)CCCCC1	310261001	QMWSWEZSSWVJSB-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)(CC1CCC(C)(C)CC1)C1CC1	310433739	QTFSPAUCAVVUKB-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C[C@H]1CCC[C@H](C)C1	310518672	NAYGZOIXWCTFTI-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](NCCC1=CCCCC1)C1CCCC1	313424133	HREITMVUIBUIBX-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCCC1(CNCC)CCC(CCC)CC1	317118492	LYKMVALHOPSYSW-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNCC)CC[C@H](CC)C1	317256635	LWOCRJXNHPCGJN-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)[C@H](O)CCCC/C=C/c1ccccc1	324081345	ZFJVDMZKGBOKQU-AYAUWGRQSA-N	246.394	4.667	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C2CCC2)C2CC2)CC1	324711700	WQYMNAVVGCIVTN-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
Cl/C=C\CNc1ccccc1-c1ccccc1	379532684	DXSZCUOTEQNWHU-WDZFZDKYSA-N	243.737	4.518	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C[C@@H](C)C[C@@H](C)C1	383224261	SIKPQZIDFKDPTA-MUJYYYPQSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](C)CC(C)(C)C[C@H]1CCC[C@H](C)C1	383869014	HNNTYMCPVUPMMI-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@H](O)CCC1=CCCCC1)C(C)(C)C	386331962	VROIPBSVLARDFE-DZGCQCFKSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](N[C@H](CC)C1CCCC1)c1ccccc1	387505277	DKHFSRCDGOWHQF-IAGOWNOFSA-N	245.410	4.696	0	10	BJAE	
CCCNC[C@@H]1CC[C@@H]1CCCCCC(C)C	394811396	KQHNVVYMSUFAOJ-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCc1c(F)sc2c(C(F)(F)F)cccc12	396303821	UGZWIZNQQPHFHJ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCCC1CCC(CNC)(CC2=CCCC2)CC1	401059182	DVLZELXQJBKQHZ-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CC=CCC2)CCC[C@@H]1C	402205571	KQKATZKBQXDZQH-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](O)c1cccc(-c2cccc3ccccc23)c1	404992424	GNHNSOAZAUKRTM-CYBMUJFWSA-N	248.325	4.560	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC(C)(C)C2CC2)C1	405744554	BABUSGUUNRLMHW-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CCC)NCCC(C)(C)C1CC1	405951502	GNYPPDMGPOVDIC-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@@H]2CCCC2(C)C)c1	688917002	TZVZRIROVNGHPN-HOTGVXAUSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](N[C@@H](C)CC1CCCCC1)C1CC1	689775672	APOKZFVIYPJZEQ-XJKSGUPXSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1Nc1cccc(F)c1	691107365	WWJQQDUXFUUBHA-JKSUJKDBSA-N	249.373	4.843	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)C1(CC)CCCC1	696562162	RBLATOKJHIXDSP-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@@H](NC)c1cc2ccccc2o1	701127017	BSNGBSQNVUITMT-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
CCCC1CCC(N)([C@H]2CCCC[C@H]2C)CC1	704833449	RJXUFYAXTNGTPK-CIDNJEQPSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC([C@](C)(N)C2CCCCC2)CC1	704863568	RBGPMFBJZJABMD-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1[C@H]1C[C@@H](C)c2ccccc2N1	704879420	QDMMMKONQGKQKL-QDEZUTFSSA-N	243.394	4.801	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)[C@]12CCCC[C@H]1C2	709101115	YORDCUAANPRHDP-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CN[C@@H]1CCCC(C)(C)C1)CC(C)(C)C	709132950	YLRMCBUZHAEHNL-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)NC[C@H](C)CC(C)(C)C	709216424	BYCJMMMDLPSCHM-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](NC)C12CCC(CC1)CC2	710322365	QMQBYTCNQWEJLL-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CC[C@](O)(C[C@H](C)C(C)(C)C)c1cccc(C)c1	710803141	LXESKZVTVSCOSM-YOEHRIQHSA-N	248.410	4.665	0	10	BJAE	
CC[C@H](C[C@@H](N)C[C@H](C)C1CCC1)C(C)(C)C	711193414	HNAVJMYFWARURD-CFVMTHIKSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CC(C)(C)C(C)C)[C@H](C)C(C)(C)C	713145310	YPYWBHQHALNFQJ-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
C1CCC(CCN[C@@H]2CC[C@@H]3CCCC[C@H]32)CC1	714317372	XCZSLFGBGZIUMP-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCSc1ccccc1NC[C@@]1(C)CC1(C)C	717147268	PSQXAMGTBVARFC-OAHLLOKOSA-N	249.423	4.647	0	10	BJAE	
CC[C@@H](C)C1(CNC(C)(C)C)CCC=CCC1	718110393	ROOUBKFAAKPJRO-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@@H](C)CC(C)(C)C	718498818	ZBWJVOBSQWIWFC-UONOGXRCSA-N	225.420	4.523	0	10	BJAE	
CC(C)=C(C)CCNCCCCCCC(C)C	718531118	HDGWKSIQGIWRPW-UHFFFAOYSA-N	239.447	4.929	0	10	BJAE	
CC1(CN[C@@H](C2CCCCC2)C2CC2)CCCC1	724012304	SNRGVJTYULJDIS-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(Cl)ccc1OC1CCCCC1	829086595	WAWKJMNYLDAUAM-UHFFFAOYSA-N	238.758	4.614	0	10	BJAE	
CC[C@H](C)CS[C@@H](C)CCc1ccccc1	1165831969	BWWRZIJBEXMABC-KBPBESRZSA-N	236.424	4.787	0	10	BJAE	
CCCC[C@@H](N[C@H](C)CC(C)(C)C)C1CCC1	1205702317	CHMJMASOFVIKRE-UKRRQHHQSA-N	239.447	4.760	0	10	BJAE	
CCN(C[C@H](C)CC(C)(C)C)c1ccccc1C	1459785137	KOZNHJKNARXXJB-CQSZACIVSA-N	247.426	4.894	0	10	BJAE	
CCC[C@@H]1CCCN(C[C@H](C)CC(C)(C)C)C1	1473259681	LIZPBONVBQQOQC-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
CCCc1ccc(C[C@H]2C=CCCCC2)s1	1900670974	ZNASZSLIZQVSGJ-ZDUSSCGKSA-N	234.408	4.990	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCCC(C)(C)C1	1900699859	FWNXTBKGYLFWLA-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC1(C)CC(c2nc([C@@H]3CC3(C)C)cs2)C1	1901913137	WNQSWBBYCRVERV-JTQLQIEISA-N	235.396	4.560	0	10	BJAE	
CC(C)(F)[C@](C)(F)CCC1CC(=C2CC2)C1	1905285418	IVNCVYQBQDLPQO-CQSZACIVSA-N	228.326	4.743	0	10	BJAE	
CCC(CC)(CC)CN(C)CCC[C@@H]1C[C@@H]1C	1908596534	XPGWSEGQCOSVHI-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
C=CC=CCCCC[C@@H](NCC)c1ccccc1	1912081581	HZHXLVZQXQTAID-QGZVFWFLSA-N	243.394	4.640	0	10	BJAE	
CCCCCC[C@@H](NC)C1CC2(CCCC2)C1	1912594645	ILUPTAADBMMALI-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCC1CCC1)C1CC2(CCCCC2)C1	1912624819	KEUQQFLMDXEVOP-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H]1CCCCCCCC[C@H]1O	1913397196	CNNHVGDYCBRADR-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
N[C@]1(CCC2CCCC2)CCC2(CCCCC2)C1	1915894317	VBOINGPOLAINEX-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
Cc1ccc([C@](C)(N)C[C@@H](C)CC(C)C)c(C)c1	1920438038	LRBKHYRQMDLHRF-WMLDXEAASA-N	247.426	4.550	0	10	BJAE	
CCC1CC([C@H](N)c2ccc([C@H](C)CC)cc2)C1	1921203924	PCOSYMIPJRMYAQ-PSPNYPNSSA-N	245.410	4.636	0	10	BJAE	
CC(C)c1ccccc1OCC[C@@H]1CC1(C)C	1921467571	BEERVSIUMRZFBG-CYBMUJFWSA-N	232.367	4.625	0	10	BJAE	
CCCN[C@@H](CC1CCC1)[C@H]1CCCC12CCC2	1921629628	JSOCNIXAXWTVKH-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@H](C)C2CCCC2)cc1	1924128023	XYCRUSJLDGVFAH-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@H](C)C1CCCC1	1924134875	GLEXNCBPLZIBSM-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCNC1CCC(C(C)C)CC1	1926159934	RCWQRDCIKLXRBA-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
COCC1(CCCC=C(C)C)CCCCC1	1937892030	QDMQSZLUZZZFNY-UHFFFAOYSA-N	224.388	4.720	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CC2(C)CCCCC2)CC1	1940408294	SUHYTJXUCVTBDA-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1CCCC(C)(C)CC1	1941357610	NNEIVLCGWRBTTM-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CCCCCC1CC1	1941598251	XBGIUHCVWOULSE-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1C(=O)CC1CCC=CCC1	1941796474	FMHCPEVVZGNEDE-HIFRSBDPSA-N	234.383	4.518	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](C)NCC(C)(C)C(C)(C)C	1948331193	DVMIZAUVVQBYKB-ZIAGYGMSSA-N	241.463	4.719	0	10	BJAE	
CCCC[C@H](CCC1CCC(C)(C)CC1)NC	1948424424	BXQATAMGWQGZNZ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC1=CCCCCC1)NCCC	1948428066	DLAGEYRSGLKBCV-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CC(C)(C)C1CCC(C[C@@H](N)C(C)(C)C)CC1	1948917124	KOPGBVMYCOWOER-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)CCC1=CCCCC1	1949044307	VMFMIVIZJCNINP-GOEBONIOSA-N	237.431	4.811	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@H]1CCC(C)(C)C1	1949550512	DMYPTOZPWLFUQU-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CC2CC(C)(C)C2)C1	1949734753	UQOKHRFBIYYINV-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@]1(CNC)CCCC(C)(C)CC1	1950913332	GIZPYSMYERAQJB-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](NCC(C)(C)C2=CCCC2)C1	1962927691	HGGODBKPODBXGN-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](COc2cccc(Cl)c2)C1	1962980006	HZVHBRAIRLNEMK-NSHDSACASA-N	238.758	4.545	0	10	BJAE	
CC[C@@H](CNC1CCC(C)(CC)CC1)C(C)C	1963167399	MRUIAQZOGZJNCH-FHERZECASA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H](NC2C[C@@H]3CCCCC[C@H]3C2)CC1	1965896523	PXHHMAVENPZFCZ-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)[C@H](C)NC[C@@H]1CCC=CCCC1	1967814799	LCKZUPYCGOFVGN-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CC[C@H]3CC[C@H]2C3)cc1	1968293810	LWJZLBOEHJHZHM-KMFMINBZSA-N	243.394	4.801	0	10	BJAE	
CCCc1ccccc1OC[C@H]1CCC(C)(C)C1	1968625022	WSZDHRAETPNDTQ-AWEZNQCLSA-N	246.394	4.844	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC1CC2(C1)CC(C)(C)C2	1968858393	BGIPAFCOYPXEHD-UKRRQHHQSA-N	249.442	4.514	0	10	BJAE	
CCCCCCN[C@]1(C)CCCCC1(C)C	1976543563	FUMICEBCCCCOLE-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCCCCC2)s1	1978450642	TUTGUTZLKHCKLA-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)C[C@@H](C)CC	1981289982	OQWHQMDDGKMVEB-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](Nc1ccccc1Cl)C1(C)CCCC1	1987598975	NVGDWHRIHOYCER-LLVKDONJSA-N	237.774	4.721	0	10	BJAE	
CCCCCc1ccc([C@H](O)CC(C)C)s1	1991772032	NPNFYVOVHMDASN-CYBMUJFWSA-N	240.412	4.560	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)CCCC(C)C	1995262493	NSBCCJQCRGORDD-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC(C)(C)CC	1995264489	VVFMLJPPICDRJS-ZIAGYGMSSA-N	227.436	4.747	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1c(C)cccc1C	1995630201	DMHWOUDKNMRETB-GJZGRUSLSA-N	231.383	4.684	0	10	BJAE	
C[C@H](C[C@@](C)(N)C1(C)CCCCC1)C1CCC1	1995976087	UBXGOBODDYWSPO-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C1CCC(C)(C)CC1	1996548964	TUXJCQAYRBDRJG-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@@]1(C)CC=CCC1	1997552943	VAWTVMVFIHUNSE-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)[C@H](C)[C@@H](C)CC	2000507407	GBPJLMJAPVXCIC-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)C[C@H]1CC12CCCC2	2001210601	LGVGZQZOXGKQSL-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC([C@@H](C)Nc2ccccc2)CC1	2002926906	RNAGZERXOPUAQD-WLYUNCDWSA-N	231.383	4.703	0	10	BJAE	
CC1(C)C[C@H]1C[C@H](O)C1(C)CCCCCCC1	2004920051	GLOOVMFJYNNFJL-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](NCC1(C)CCCCCCC1)C(C)C	2004937200	LSHWQHWNOOQRFZ-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC=C[C@](O)(CCCCCC(C)C)C1	2006652234	JZMIBJBXHOHCPT-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CC=CCCCC(=O)c1c(C)cc(C)cc1C	2009566348	CQVAYJQZKYLJNN-UHFFFAOYSA-N	230.351	4.541	0	10	BJAE	
CC=CCCCOc1cccc2ccccc12	2009576234	HEVJXUORGGUFOJ-UHFFFAOYSA-N	226.319	4.575	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O	2009589744	NXYSDSQKECDWLT-YVSHFGMPSA-N	238.415	4.556	0	10	BJAE	
CC=CCCCNc1ccccc1SCCC	2009589962	FQCKKPLHYNFQJX-UHFFFAOYSA-N	249.423	4.957	0	10	BJAE	
CCCCCC1CC(N[C@H](C)C[C@@H](C)CC)C1	2009718038	RWJVSMYOKAHXMA-QRNKSROTSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@H](NCC)C1=CC[C@H](C)CC1	2010621745	CJFBZAWRKMCFPQ-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCCC(CCC)[C@H](N)CC12CCC(CC1)C2	2012796893	LHYZZRZNVCTKKH-OGVSOVDVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CCCC12CCC(CC1)CC2)NC	2012835750	FIYYFSCFKNVNEV-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H]1C[C@H](C(C)(C)C)C1	2013710412	HQLMYKCORSXFRN-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@H]1C[C@@H]2CC[C@@H]2C1	2015194005	LOBCZAACVILTGB-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C[C@H](C)C(C)C)C(C)(C)C(C)(C)C	2015278229	MNULZFARFXJIFM-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
CCC1CCC(O)(CC(C(C)C)C(C)C)CC1	2015284406	NLPDFIXVCUOKFP-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CCc1cccc(CC)c1NC[C@@H](C)C(C)C	2015290446	KFBCVHJGGTYDRP-CYBMUJFWSA-N	233.399	4.515	0	10	BJAE	
CCCC1([C@@H](N)[C@@H]2CCCC[C@H]2CC)CCC1	2015593647	DYBOWOYGXUAFPF-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2CC[C@@H](CC)C2)CCC1	2015598235	RLUFOPPAGRMHLX-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@@H]1C1CCC1	2017041775	DDTCJEPOUYULBV-ARFHVFGLSA-N	237.431	4.514	0	10	BJAE	
CC(C)C1(CC(=O)C[C@@H](C)C(C)(C)C)CCC1	2017127343	NEAUYMDKTHWVQF-CYBMUJFWSA-N	238.415	4.844	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2CCCC[C@@H]2C)CCC1	2017129090	KWAVTLCEIZMEOU-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)C1(CC)CCCC1	2017485676	GQHDACKAMZPTPL-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)CC(C)(C)CC)CC1	2017663642	WWJORGQVIIIAGX-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H](C)C2CCC2)CC1	2017775864	HUBPSPUOUKOWEI-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H]1C[C@H]1CCC	2022383698	LAMOVMZMXRFEOE-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@@H](C)C1CCC1	2023331377	JWDTZRDBUBGCJL-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCNCC(C)(C)C[C@H]1CCCC(C)(C)C1	2024094865	NERTWGZYBOVTFL-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)CCC2CCC2)C1	2024100715	FKMHDNCNAARQNU-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@](C)(O)C2CCCC2)C1	2024124068	OEYNXAXPSYRNTI-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](c1nc2c([nH]1)[C@@H](C)[C@H](C)CC2)C(C)C	2028264116	OICPDVZMRSCKJB-AGIUHOORSA-N	248.414	4.635	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@H]1CC2CCC1CC2	2028624613	AVCZRFYVGXZMEL-UYSNPLJNSA-N	248.410	4.742	0	10	BJAE	
CCCCC[C@H](N)c1ccc(C2CCCC2)cc1	2031746177	PAQDHEJFGWAAGD-KRWDZBQOSA-N	245.410	4.924	0	10	BJAE	
CN[C@H](c1ccc(C2CCCC2)cc1)C(C)(C)C	2031749083	FIKJNQROHIKESJ-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
C(CCC1CC1)CNC[C@]12CCCC[C@H]1CCC2	2031806256	WRTPMYZFIVKEHM-DLBZAZTESA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CC[C@H](C)[C@@H]2C(C)C)c1	2035407068	FZJRWVFKRCVLPG-UXLLHSPISA-N	245.410	4.786	0	10	BJAE	
CCCNC[C@]1(C[C@@H]2C=CCCC2)CCC[C@@H]1C	2035601005	NVIKRTFMKURIHE-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](NC1C[C@@H]2CCCCC[C@H]2C1)C1CC1	2035860148	MBOPZSLXFSZERK-ZOBUZTSGSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@](C)(C(=O)CC2CC3(CC3)C2)C1(C)C	2036751071	VDQCWRGNPGVNCD-LRDDRELGSA-N	248.410	4.598	0	10	BJAE	
CCCC1(N[C@H]2CCC3(CCCC3)C2)CCCC1	2036772473	ZHLPCTRSOHVBRZ-HNNXBMFYSA-N	249.442	4.802	0	10	BJAE	
N[C@@]1(C2=CCCCCCC2)CCC2(CCCC2)C1	2037076521	VRPCRIFJJIJROH-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@@H]1C1CCCCCC1	2037225270	UEVWRBVVFRZSSX-GUYCJALGSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H](C)C23CCC(CC2)C3)CC1	2039864911	KRQLOAGOWWVIAX-UWEUSHKOSA-N	249.442	4.514	0	10	BJAE	
C(CCN[C@H]1CCCC2(CCC2)C1)CCC1CC1	2041296179	KPHBHQLRZACWAF-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@H](C)C1CC2(CCC2)C1	2043547517	QUWXTCQKOMIGAR-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CN(CC1CCC=CCC1)CC1(C)CCCCC1	2045307391	KCXMQRNWEQVHCY-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CCCC1CCC(N[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2046487577	DPGCDRQNUMZNRT-IKIPUTRUSA-N	249.442	4.514	0	10	BJAE	
CCN(CCC[C@H]1CC1(C)C)c1ccccc1C	2046568759	PLMWZDIAQDDCCA-HNNXBMFYSA-N	245.410	4.648	0	10	BJAE	
C[C@H]1CCCC[C@@H]1N1CCC2(CCCCC2)CC1	2046583759	QLXYJSQFRDOAPR-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
C1CCCC(CNC2[C@H]3CCCCC[C@H]23)CCC1	2048390019	SFNUZPKNPCIPCR-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H]2[C@H]3CCCCC[C@H]32)C1	2048471861	QCHCOARQKJBETL-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)C1CC(C(C)(C)C)C1	2048621664	OMFJNQIDBNFIAE-PPWQZUPISA-N	248.410	4.620	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)c1c(C)cccc1C	2048868831	NVQURBWHHZENGN-OAHLLOKOSA-N	245.410	4.534	0	10	BJAE	
C[C@@H](C[C@@H]1CCCC2(CC2)C1)C1CCC(N)CC1	2049852173	BJNWHKJHGXDAEF-FXQLRMTLSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@]1(C)C=CCCC1	2049995795	BREWAAPBEWHOQX-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H]1C)[C@@]1(C)C=CCC1	2050011166	ZOFRJYUUIPJUEA-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCCC1)C1CC(CC2CC2)C1	2050216897	NPCKVMILTSUZRW-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CC(=O)c1cccc(C)c1	2050455697	IJSIKHHBWAZASI-LSDHHAIUSA-N	244.378	4.784	0	10	BJAE	
CCN[C@H](C[C@@H](C)[C@H](C)CC)c1ccccc1C	2050456078	MVOAVRRBRRUIPP-FRFSOERESA-N	247.426	4.718	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCCC12CC2	2053348504	XMWCTTIPIXYZKC-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC(C)NC[C@]1(CCCC2CC2)CCCC12CC2	2053357486	IGWQSHIVEKKQSP-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C(CCNC[C@H]1CCCCC12CC2)CCC1CC1	2053435895	HXEVAQCPLPCTDP-MRXNPFEDSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1CC=C[C@](N)(C2CCC(C(C)(C)C)CC2)C1	2054983197	LOHXGDUGKAAHGH-PBMMVSLJSA-N	249.442	4.523	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C[C@@H]1CCC[C@@H]2C[C@H]12	2057352549	CTNRAFRWTQPUIR-KNCOVGOOSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@H]1CCC12CCC2	2059176286	YOMGZYZZCKKUIX-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C1=CC[C@@H](C)CC1	2060922456	RTZKPYFCNVJSJJ-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)C1(C)CCCC1	2061091563	JZWLAAMKWVDNDE-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2061092354	PMHSUQOEBWYMLI-OJLVUWQFSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC=C([C@@H](N)[C@H]2CCCC(C)(C)C2)CC1	2061096182	SDLFVWDWSCDBBR-LSDHHAIUSA-N	249.442	4.667	0	10	BJAE	
CC[C@@](N)(C1=CC[C@H](C(C)C)CC1)C1CCCC1	2061110096	AXZBQWFFMYIDBL-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CCCCCC1CC(N)(C2=CC[C@H](CC)CC2)C1	2061119635	QZCYRUSFQICRJT-UQPPLGOBSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](CC)CC1)[C@@H]1C[C@@H]1CC	2061139137	CQJNMTQMTUWOLH-XJNFMUPTSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C(C[C@H](CC2CCCC2)NC)CC1	2061142319	BTOVJOZTGRWCOO-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C[C@@]1(C2CC2)CCCN1)C1CCCCC1	2061512901	NXPLGMSMKZEXBM-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCNCC1(CC[C@@]23CCC[C@@H]2C3)CCCCC1	2061616305	ZPILPUIDRJQIPA-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC[C@@]1(CC2CC(=C3CCC3)C2)CCCCCN1	2061719806	DCBREFINZCZXLC-KRWDZBQOSA-N	247.426	4.579	0	10	BJAE	
O[C@]1(CC2CCC=CCC2)CCCCCC12CC2	2062037048	NTJXXKPLFGATNY-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@H]1C[C@@H]2CCC[C@@H]2C1	2063511473	TYUMAYBOUXQVJD-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](N[C@H](CC)c1occc1C)C1CCC1	2063682730	ZVHZAOFJCFVAEQ-HUUCEWRRSA-N	249.398	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C2CC3(C2)CC3(C)C)C1	2064133027	QJWJBISDTBHLRX-GXZXJKLZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC12CCC(CC1)CC2	2065267040	BVCZEWHWZOXXJH-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C[C@H]1CC12CCC2	2069208683	RIGDUOGIDSLUDN-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H](C)c1cccc(C)c1	2070396755	CSOYVDBMOPMMLE-JKSUJKDBSA-N	245.410	4.781	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	2070413751	NQCCHHZTUKHVLP-MWDXBVQZSA-N	249.442	4.680	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)C[C@H]3CC[C@H]2C3)CC1	2072807249	UFIWPBGUAUKBCI-QUSNUVHPSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)CCC=Cc1ccccc1	2072916025	JEKRBUAGPQGSPD-KRWDZBQOSA-N	245.410	4.634	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(C)c(OC)c1	2073350368	LQJNVTKOADHVLO-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@H](C[C@@]23CCCC[C@H]2C3)C1	2074114440	RQGHDWFERMOHHN-WBTNSWJXSA-N	248.410	4.598	0	10	BJAE	
CC1(CCC[C@@H]2CCNC3(CCCCC3)C2)CC1	2074139571	SWGVOTYRYDXNDA-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@@H]3CCCC[C@H]3C2)CC1	2074627659	WXUZCWIBWLPUFW-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CCC(C)(CC)CN(C)Cc1ccc(C)c(C)c1	2074918106	CTLIYHUOQHRRRV-UHFFFAOYSA-N	247.426	4.562	0	10	BJAE	
C[C@@](N)(C[C@@H]1C[C@H]1C1CCCCC1)C1CCCC1	2079832459	NJNNMJOBNWOLKV-BHYGNILZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@@H]1C[C@@H]1C1CCCC1	2079870701	NIIULXCYCBUKHX-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(C2=CCCCCC2)CCC[C@@H]2CCCC[C@@H]21	2081123312	QNLBSCNJTIJZRU-XIRDDKMYSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@H](NCC=C2CCC2)CC1	2081673898	ARQZMUVPYFLATP-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)c1cc(C)cc(C)c1C	2082949931	CXAFKDKMFZXCHD-HUUCEWRRSA-N	244.378	4.621	0	10	BJAE	
CC=C(CC)c1nc(Cl)cc2ccccc12	2212517975	MSVXOUDMRDUGLR-UHFFFAOYSA-N	231.726	4.702	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)c1ccsc1	2213286072	WRQPZXJMXWXAMJ-ITGUQSILSA-N	248.391	4.537	0	10	BJAE	
C(=Cc1ccccc1)C[C@@H]1[C@H]2CCCCC[C@H]21	2213825249	RDLRJDGBRLQXOP-FVQHAEBGSA-N	226.363	4.916	0	10	BJAE	
CC[C@](C)(CCCCC1CC1)CNC(C)(C)C	2214577096	FWBNWEWNYIGFJP-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H](N)CC1(C)CC2(CCC2)C1	2215394375	GTLFULDYPUQBQJ-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CC(C)(C)C[C@@](C)(N)CC1(C)CC2(CCC2)C1	2215399882	AAEXKJMOVHZUNU-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@]1(C[C@@H](C)CC)CC=C(C)CC1	2215840614	RHCHOAQFIRFCOA-GOEBONIOSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)CCN[C@H]1CCC[C@@H](C(C)(C)C)C1	2216258672	QMXLHKCHILRHDG-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(=O)CC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2216740831	ZSUKHTQUZJEDJP-ZNMIVQPWSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CC(C)C)C1CCCC1	2217154294	SLOCQMHGBUGNTQ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)[C@]1(CN[C@@H](C)CC)C=CCCC1	2217154380	TZCLSMFROORCKF-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@@H]1CCc2cc(C)ccc2N1	2217467532	FYYWDVUOLFPYIB-HNNXBMFYSA-N	231.383	4.548	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)c1ccc(C(C)(C)C)cc1	2220644681	VKHJWUCFLQJGQY-OCCSQVGLSA-N	244.378	4.603	0	10	BJAE	
CC1(C)CC[C@H](CC2(C)CC3(CCC3)C2)C(=O)C1	2221083264	HMDAPZJHBZGGTJ-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CN[C@H](CC1CC(C)(C)C1)[C@@]1(C)CC=C(C)CC1	2221615340	YMRGNWKIEHCJKN-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@@](C)([C@H](N)CCC2=CCCCC2)CC1	2221634550	ANKNWLWMDAISIQ-IAGOWNOFSA-N	247.426	4.731	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C2CC(C3CCC3)C2)CC1	2221640157	JOFJEFHQYRLJMT-DQPZFDDXSA-N	246.394	4.518	0	10	BJAE	
CC1=CC[C@](CNC(C)C)(C2CCCCC2)CC1	2221647907	GXQHQSVYUSYWAD-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)c1c(C)cc(C)cc1C	2222006597	MURZLCBEEKIGEI-YVEFUNNKSA-N	247.426	4.612	0	10	BJAE	
CCC[C@H](CC)N(C)Cc1ccc(C2CC2)cc1	2223635994	DUIHFUFPVUJFLP-KRWDZBQOSA-N	245.410	4.575	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)CCCCC2CC2)cc1	2223966277	WGYCXPHOWMSSFO-CQSZACIVSA-N	244.378	4.638	0	10	BJAE	
CCCCCC[C@@](C)(O)c1ccc2occc2c1	2224128960	AKAAPAOCMWXHDB-MRXNPFEDSA-N	246.350	4.611	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CCC1CCCCC1	2244773844	CTFJKDLJPQXVCM-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
Cc1scc(C(=O)C2CC3(CCCC3)C2)c1C	2246416445	PKUIJARUNXVVKH-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCCNCC(CC)(CC)C[C@H]1CCC1(C)C	2247305901	FISFYTUUKAVNLK-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC[C@@H]1CCCC12CC2	2250409263	AUQMRNPOGMRUIG-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CNCCC=C(C)CC[C@@H](C)CCCC(C)C	2250468543	FDVWTROQXUPDCJ-HNNXBMFYSA-N	239.447	4.785	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@](C)(N)C1CCC1	2250482940	XVIOHEOMWDCNMJ-GOEBONIOSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@@]1(C)C[C@@H]1C	2250485019	JFCHGJUNAAARGQ-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CC[C@]1(N)CC[C@H](C)CCCC(C)C	2250518395	SALCMPFRCWPGSH-BZUAXINKSA-N	239.447	4.747	0	10	BJAE	
CC1(C)CCCc2c1nc1ccccc1c2Cl	2251722791	ULDCKMMMRPOJJZ-UHFFFAOYSA-N	245.753	4.502	0	10	BJAE	
O=C1CCCCC[C@H]1CC[C@@H]1CCCCC12CC2	2253810740	NSARMAMREBPUMX-GJZGRUSLSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)C=CCC(C)(C)C2)C1	2253926451	AEUCRLXOKKJGGP-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC1CC2(CCCC2)C1)C1(C)CCC1	2254119179	JLKNYPRLIRXDLP-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C1(C)CC(C)C1	2255060240	YPUGFJMBOPNRBQ-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@H]1CCCC12CC2	2255228099	NCLXMHCXJBRITL-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(NC[C@]23CCCC[C@H]2C3)cc(C)c1C	2258234048	AGYKSYFCSFFKNE-DOTOQJQBSA-N	243.394	4.604	0	10	BJAE	
CCCN[C@H](C[C@@]12CCC[C@@H]1CC2)C1CCCC1	2260602647	KUYXOWRMPWSCTD-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(N)(C[C@@]23CCC[C@@H]2CC3)CC1	2260671466	MRQNSSFAEADNLT-GMRIPVOYSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(CN)(C[C@@]23CCC[C@@H]2CC3)CC1	2260673868	TWVLLZXTDDFPMX-MYBQVCMBSA-N	249.442	4.502	0	10	BJAE	
CCC(CC)CNCc1cccc(C(C)(C)C)c1	2261364765	ZONZFXBSAQXBTQ-UHFFFAOYSA-N	247.426	4.510	0	10	BJAE	
CCC[C@@H](CC)[C@H](CC[C@@H]1C[C@@H]1CC)NCC	2298645969	FMYDUVBDNUMSGM-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)[C@@]12CCCC[C@@H]1CC2	2298685163	FRTNCAQMDQLZNS-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CCC[C@H](C)CC1	2300675114	BHXQIZLSTZCCNA-IMJJTQAJSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@](O)(CCC(CC)CC)C1CCCC1	2300677843	DRFQPUWCEVZBEA-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)CC[C@](C)(N)CC1CCCCC1	2300700258	KSGDQEMKSFMHPS-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC(=CCNCC(F)=C(C)C)CCCC(C)C	2300864504	BDMBFXDFXFTKNI-UHFFFAOYSA-N	241.394	4.612	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H](C)C1CCCCC1	2300878833	CAQQNGVUZSVZNS-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C[C@@H]1c1csc([C@H]2CCC[C@@H]3C[C@H]23)n1	2302268212	MQPJKQXGLSWZQM-NOOOWODRSA-N	247.407	4.560	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)CCCC1=CCCCC1	2302321902	BVGKZUREIWGCMK-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
Cc1c(F)ccc(-c2csc(C(C)C)n2)c1C	2302341479	XSRJGNYGXQEMIP-UHFFFAOYSA-N	249.354	4.689	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@@H]1CC[C@H]1C(C)(C)C	2303401639	NTILMZUTRSSNPG-MGPQQGTHSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CCC(C)=C(C)C1	2303460158	YOVNQPDLRODSBJ-JKSUJKDBSA-N	237.431	4.824	0	10	BJAE	
CCCCCC[C@H](O)C[C@@H]1CCC(C)=C(C)C1	2303516488	OTQQJJTYBRHAJX-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CC)CC(C)(C)C	2303612016	QBRZUPUYMLYBOU-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](O)(CC[C@@H]1CCC(C)(C)C1)C1CC1	2304352854	WCNNQBYKMGWBLW-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)CCCC(C)(C)CC1	2307748825	DMMIIBGALSTUEV-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1C)C[C@H](CC)CCC	2307820534	ZGEPNHPZDHQYQD-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
C1CCC[C@H]2[C@@H](CC1)C[C@@H]2NCCC1CCCC1	2309183628	OLGGYRGUPHWTAE-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@@]12CCC[C@@H]1CC2	2313342643	PYYKDOCWTKFVKV-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	2313597352	ASKBGGZPMAIBJH-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
CC(=CC[C@H](N)[C@H]1C[C@@H]2C[C@@H]2C1)CCCC(C)C	2316502084	IVIAIVGWGJLMQH-YVSFHVDLSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@]1(C)CC=CCC1	2316504791	WFYLVMFSWXKZQK-SJORKVTESA-N	249.442	4.847	0	10	BJAE	
CCC(C)=CCC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	2316507962	HHBBOZBPEGOOPR-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
CC1(C)CC(=O)[C@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316939800	MOPQRWNBBNSQOW-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)N1	2316940228	OPCPVQIZJGXGEO-VIQHNZTISA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@H]1C[C@@H]1C(C)C	2317978457	BPJMIDWUNBNCQY-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CCCCC12CC2	2318547701	FHWFRHXIDPZJCI-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)C[C@H]1CC=CCC1	2318937065	VMJCIIUBLBHDIE-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](N)C[C@H]2CCC(C)(C)C2)cc1C	2319023831	ISURSYVOEXKARP-GDBMZVCRSA-N	245.410	4.520	0	10	BJAE	
C1CCCC(CCN[C@@H]2CCCC[C@H]3C[C@@H]32)CC1	2319253419	VBXXKAVYFSTACS-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCCCCC1CC(N[C@@H]2CCCC[C@H]3C[C@@H]32)C1	2319334127	KAWZVPVLAIMBDJ-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC[C@@H]1CC[C@@H]1C1CC1	2319750558	SIYCBPQZJVIWDB-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CCCC23CCCC3)CC1	2320348605	RYXRLPZJCCPSKG-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@H]2CC=CCC2)c1	2320581904	PBOSTVRMOUWQGX-YOEHRIQHSA-N	244.378	4.590	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@]2(N)CC[C@H]2C2CCC2)C1	2321634291	QFHWKQUACVDXNL-UKPHBRMFSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@@H]2CCC[C@H]2C)c1	2327675252	JOBPYWRGHWLLCK-UKRRQHHQSA-N	244.378	4.737	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)c1ccccc1	2328280606	BHBSAFLLCTZJCT-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)c1cc(C)cc(C)c1	2328295677	WOZWIFCCFVXPNI-RDJZCZTQSA-N	247.426	4.694	0	10	BJAE	
CCCCCC[C@H](C)Nc1cc(F)ccc1F	20519980	DTZGVOMYRFIIHD-NSHDSACASA-N	241.325	4.736	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)Nc2ccccc2C)c1	20567175	FPFAMRRGQBHVHJ-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)c1ccccc1C	21809919	NEHUPICNQOKENP-HOTGVXAUSA-N	247.426	4.862	0	10	BJAE	
CCCCCC(=O)Cc1cccc2ccccc12	38125271	CJHGBMBLTNUXCB-UHFFFAOYSA-N	240.346	4.532	0	10	BJAE	
CC(C)c1cc2cc(Cl)ccc2nc1Cl	63116673	CFOFJVYLDBZHEU-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](C)c1sccc1C	69637104	UQXWLMXYBAHVGZ-NWDGAFQWSA-N	239.428	4.532	0	10	BJAE	
CCN[C@H](c1cc(CC)ccc1CC)[C@@H](C)CC	70440824	IYCAEHCHPHWLRI-GUYCJALGSA-N	247.426	4.508	0	10	BJAE	
CCCCC(C)(C)[C@H]1CC[C@@H](C)C[C@@H]1NCC	85157029	ROKYZZBARBFBAR-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@]1(N)CCC[C@H](C(C)(C)C)CC1	94676220	JTTVTWYURWIYCZ-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)[C@@H](O)C(CC)(CC)c1ccccc1	94676292	LNYXYQVLQKQGBU-MRXNPFEDSA-N	248.410	4.542	0	10	BJAE	
CC(C)C[C@H](O)c1cc(C(C)C)ccc1Cl	107998606	KWGHCGUWFIFJFJ-AWEZNQCLSA-N	240.774	4.543	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)c1ccc(C)cc1	109720129	IFAXLEPQDLVZDO-INIZCTEOSA-N	247.426	4.862	0	10	BJAE	
c1cc2cc(N[C@H]3C[C@@H]4CC[C@@H]3C4)ccc2s1	109811127	FJGTWOSBDQOBKH-GYSYKLTISA-N	243.375	4.502	0	10	BJAE	
Cc1ccc(C)c([C@@H](C)N[C@H](C)C2CCCC2)c1	112392342	ZBOASPMQIYVDOP-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
CCCC[C@@H](C[C@@H](C)C(C)(C)C)NCCC	124705970	IWQJIDIUZXOWLQ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)C[C@@H](NC)c1cc2ccccc2o1	127735684	MRTRVGYBGYKAOY-CQSZACIVSA-N	245.366	4.520	0	10	BJAE	
CC(C)CC[C@@H]1CCCC[C@@H]1CNC(C)(C)C	130255191	CEFKATBZUSEXAQ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCN[C@H](c1ccccc1)C(C)C	134293759	VTNXDDFXFQLPAT-KRWDZBQOSA-N	247.426	4.800	0	10	BJAE	
CCCc1ccccc1-c1ccc(C(C)=O)cc1	140862301	UNTPBSYCKGKGBS-UHFFFAOYSA-N	238.330	4.509	0	10	BJAE	
Cc1cc(F)ccc1C(=O)CCC1CCCCC1	165334179	OWBKFNHBEASGES-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CCCN[C@@H](CC1CC1)C[C@H](C)CC(C)(C)C	167661683	BYIFIEFUZFIYFE-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
O[C@H](c1ccccc1C1CCC1)C1CCCCC1	168743517	ZRNYQKBRNMRUTC-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CC(C)[C@H](CNC(C)(C)C)CC1CCCCC1	203480546	KCCSNHBRXQINII-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCC[C@@H](CC)C1	221501150	BWOZHWSEAHCSDC-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@H]1CCCCC1(C)C	226866574	NNDIBCVJVZDMHA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H]2CCC23CCCCC3)C1	230174975	GOZUHPJTJYPCLF-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@@H]1CC[C@@H](CC)C1	233179805	XGZNDKSXHOAAHO-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CCC[C@H](C(C)C)C1	300316059	NAACOWJIAUJYTC-HRCADAONSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](CC)CCCCC1CCCC1	300771742	PUZFPXFLMKFFHU-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1ccc(C)c(Cl)c1	300856116	BUXODMJNOFMRAS-SMDDNHRTSA-N	240.774	4.508	0	10	BJAE	
CC(C)(C)CCC[C@H]1CC(C)(C)CC[C@H]1CN	302354665	WXUKXJAYZMGJJR-KBPBESRZSA-N	239.447	4.604	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H]1CCNc2ccccc21	305907795	DJMVNWULDMZCLI-ZIAGYGMSSA-N	231.383	4.658	0	10	BJAE	
Fc1c(C(F)F)cc(Cl)c2ccsc12	306782452	QTRPSPOFTPSEFB-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC1(C[C@H](N)C2CCCCCCC2)CCCC1	310480349	CTMFNYMEJFOFAF-HNNXBMFYSA-N	237.431	4.645	0	10	BJAE	
CC(C)c1ccccc1C(=O)C1C(C)(C)C1(C)C	310862785	QTCPTYSJVIPKME-UHFFFAOYSA-N	244.378	4.675	0	10	BJAE	
CCCC1([C@H](N)c2cccc(C3CCC3)c2)CC1	310957339	SPBJIDHRSJZXHR-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC(C)NCC1(CCC2=CCCCC2)CCCC1	317735481	MDGFYHBPLRBQCJ-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CCC1(C[C@](C)(CC)CNC(C)(C)C)CCC1	318117065	PGVQBJSXVCZDET-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)c2ccc(C)cc2C)CC1	328479889	QJNWLZYMWZMIBC-SHTZXODSSA-N	244.378	4.703	0	10	BJAE	
Cc1ccc(N[C@H]2C=CCCCCC2)c(Cl)c1	379848941	JNHGJSUPJGKMBZ-ZDUSSCGKSA-N	249.785	4.949	0	10	BJAE	
CCc1cc(NC2CCC(C)(C)CC2)ccc1C	380740750	KZGXKVLEFWBONE-UHFFFAOYSA-N	245.410	4.938	0	10	BJAE	
CCNC[C@H](CCCCCC(C)C)CC(C)C	383252440	KNAOKSHDXWXAKV-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
Cc1ccc([C@H](N)CCCCCC(C)C)s1	383304848	UPQMIJOEYYJZET-CYBMUJFWSA-N	239.428	4.663	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)C2CCCCCC2)C1	383874491	IJJGMDPAMXJKJI-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@H](C)Nc1cccc2ccsc12	386239750	OPOSKWVNQWHPIT-NSHDSACASA-N	233.380	4.892	0	10	BJAE	
CC[C@@H](Nc1ccc(F)c(C)c1)C1CCCC1	387579132	MCDXIQFFHPUZNG-OAHLLOKOSA-N	235.346	4.515	0	10	BJAE	
CCCC1(NC[C@@H]2CC(C)=C[C@@H](C)C2)CCCC1	394432615	XCPZRNWGWRDIJG-ZBFHGGJFSA-N	249.442	4.681	0	10	BJAE	
CCCc1ccccc1[C@H](O)C(CC)(CC)CC	395112270	CPTKNTNXUITQKL-INIZCTEOSA-N	248.410	4.889	0	10	BJAE	
CCC(/C=C(\CN)C1CCCCC1)(CC)CC	395119819	JOJIXDSFPAVFHF-NTCAYCPXSA-N	237.431	4.668	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccsc1Cl	395663408	ZYLJAYQOMOGZOJ-SECBINFHSA-N	231.792	4.638	0	10	BJAE	
CCc1cc(C(F)(F)F)cc2cc(C)sc12	396301679	JWSOFNCGFAPELL-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCC(C)(C)C1CC1	406026081	JUMQQFOCHXKYKO-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H](C)CC(C)(C)C	689736951	GQTLVWBISLXFFU-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
C[C@H](C[C@@](C)(O)CC1CCCC1)c1ccccc1	689869441	OZHKSDHCTXMBMA-RHSMWYFYSA-N	246.394	4.512	0	10	BJAE	
Cc1ccc([C@H](C)Nc2cccc(C3CC3)c2)o1	690171955	SLVJZLVPBYSZNK-LBPRGKRZSA-N	241.334	4.639	0	10	BJAE	
CC[C@@H](C)CNc1cc(Cl)c(C)c(Cl)c1	690293989	FGOVIHFUCJTIQD-MRVPVSSYSA-N	246.181	4.760	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)C1CC(C)C1	691889738	UKXJBPCEDNPNGV-QWFMPGPPSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H](CCC1CC=CC1)CC(F)(F)F	692134509	HQLCTBYQFKPETP-JTQLQIEISA-N	220.278	4.711	0	10	BJAE	
CCCC(CCC)c1ccsc1CNCC	693114154	YGHQTFUGPSXDAS-UHFFFAOYSA-N	239.428	4.541	0	10	BJAE	
CCCCCC(=O)CC(C)(C)CC(F)(F)F	694693458	QWXFNUXXAAHDLI-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
C1CCCC(CN[C@H]2CCCC3(CC3)C2)CCC1	695717347	POSHHZBYCWXAQM-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)[C@H]2CCCC3(CC3)C2)C1	695982726	GPFKFHZKISITMV-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@H](N)[C@H]2CCCC3(CC3)C2)CC1	695984542	LEJUDRWRWDUOSQ-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCNc1ccccc1OC(C)C	703981195	YOFDJEUJGPRKDC-UHFFFAOYSA-N	249.398	4.712	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)[C@@H]1CCCC[C@@H]1C	704933012	SYGXPQTVORSVKF-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CC[C@@](O)(C[C@H](C)CC(C)(C)C)C(C)(C)C	709125870	AYEXXRHTUORGJQ-IUODEOHRSA-N	228.420	4.636	0	10	BJAE	
CCCCCCN[C@H]1CCCCC[C@H]1CC	709131966	GVJHBNGHDPPRRZ-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@@H](C)CC(C)C	709144357	SFSCYXNTNXJHGZ-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCC(=O)c1ccn(C[C@@H](C)CC(C)(C)C)c1	709217148	SVRRZKBIZTVJSR-ZDUSSCGKSA-N	249.398	4.543	0	10	BJAE	
Cc1cc(N[C@H](C)CCC(C)(C)C)cs1	710698198	PCHWSHGMBXAGOM-SNVBAGLBSA-N	225.401	4.683	0	10	BJAE	
Cc1cc(N[C@H]2CCCC23CCCCC3)cs1	710729756	MSVACUZOAZQEMW-AWEZNQCLSA-N	249.423	4.971	0	10	BJAE	
CCCC[C@H](C[C@H](CC)C(C)(C)C)NCC	711060760	DEJXNFLLTMJTNY-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)CCC(C)(C)CC	711281197	YLKPPKWEIKMWFV-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](CC(C)(C)C(C)C)NC	713144957	VNSXYZPKSAZZCM-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CC(C)(C)C(C)C)CC1	713145269	HPKAFCULOYNJLB-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](CO)C1CCCCCC1	713269291	XZVABKNOSARFHX-HNNXBMFYSA-N	240.431	4.638	0	10	BJAE	
C=C/C=C\CC[C@H](NC)C1CCC(C(C)C)CC1	713737865	ANDVMQYQFOCIPT-KXERVDIVSA-N	249.442	4.559	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCC[C@@H]2CCCC[C@H]21	714291636	QHIRZZZIICSLLO-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C1CC2(CCC2)C1	717523121	JMTDHZRATWPPBU-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC1CCCCC1)Nc1cccc(O)c1	720985436	ANEBZFJVUGPVDE-AWEZNQCLSA-N	247.382	4.553	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@H]3CCC[C@@H]32)c(C)c1	722078840	OTFQMRMMRYYIJF-OWCLPIDISA-N	243.394	4.602	0	10	BJAE	
C1CCC([C@H](NCCCC2CCC2)C2CC2)CC1	723992216	GXLMBTIFLQNNEV-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCCC1CC=CC1	724133211	XPRQUNVGHKLAOC-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CNCC(=CC1CCC(C)CC1)C1CCCCC1	1907324636	MNVNVCYIGFVZPS-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(Cl)s1	1911834831	QESGQQBSXAQEPO-SECBINFHSA-N	214.761	4.861	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNCC	1911933964	MKVBPKFAVYGRJP-GVDBMIGSSA-N	249.442	4.561	0	10	BJAE	
CC[C@@](N)(C[C@@H](C)C(C)(C)C)c1ccc(C)cc1	1920482851	XSBGEVGIPVLVJO-RHSMWYFYSA-N	247.426	4.631	0	10	BJAE	
CCSc1cccc(NCC[C@@H]2CC2(C)C)c1	1921559970	ZUOPYEZWXSMVNC-GFCCVEGCSA-N	249.423	4.647	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC[C@@H]1C=CCCCC1	1925816566	IIJBIVWCYOLXOV-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CCNc1cccc(C2(C)CC2)c1	1926205661	SWFQMQNUGMXJMF-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
CC1(C[C@@H](O)[C@@H]2CCCC2(C)C)CCCCC1	1940405713	DHYLPZWFSVAAPL-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCc1c(C(C)(C)C)[nH]c2c(C)cc(Cl)cc12	1941017258	WIBRHQSWTIPTAX-UHFFFAOYSA-N	249.785	4.990	0	10	BJAE	
CCC(C)(C)C[C@@H](CCCCCC1CC1)NC	1941584149	MIFXTRZGGJLKCY-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCCCCC1CC1)NC	1941588063	YJUWCABQPVASAH-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCC1)C(C)(CC)CC	1947583496	ZPBUIVAFSUGRGZ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@]1(CNCC)CC12CCCC2	1948071914	FWSSXLAGMRDYSK-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@H](C[C@@H]1CC[C@H](C)[C@H](C)C1)NCC	1948424478	CGQJURMEKQWEOD-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C1C[C@H](C)C[C@@H](C)C1	1948932510	AEUZTDJGJDRXKW-UMVBOHGHSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC2(CC)CCC2)CC1	1948981377	QUFZMHIHPZCGEN-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@@H](C)C[C@H](N)[C@H](C)C1CCCCC1	1948982714	XSVOOMFNKCPRDP-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)CCC[C@@H]1CC1(C)C	1949050239	ASYFWEIPSNVKLJ-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@@](C)(O)CC1CC2(CCC2)C1	1949858615	ZQLXIBDTEKXFCL-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@H]1CCCC(F)(F)CC1	1950013070	WWRMJFSVIMHFHF-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCC=CC[C@@H](CCC)c1ccc(OC)cc1	1951308889	PRTKXQVHNLPBTN-CQSZACIVSA-N	232.367	4.935	0	10	BJAE	
CC1(C)C(C)(C)C1(C)N[C@@H]1CCC2(CCCC2)C1	1973297261	HSAYRQPHWGUQLQ-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC(=O)C1(C)CCC(C)CC1	1983313443	BEAACWCZRUIRIR-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)C(=O)C1(C)CCC(C)(C)CC1	1983314066	JEHAGSDHVCEWIC-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC=CCCCC(=O)[C@H]1CCCC(C)(C)C1	1984575695	PZIQDNODQYHILP-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cc(Cl)ccc1C	1993483785	PXZMUACJYDPQAA-RISCZKNCSA-N	240.774	4.508	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1C=CCC1	1995215576	WUPGBLUHSNYVFU-UONOGXRCSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC1(C)CCC1	1995263111	QMKDMHVSEKMTBE-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@H]1C=CCC1	1996564110	MWBMYUKRJLSPHH-ZDUSSCGKSA-N	247.407	4.565	0	10	BJAE	
CC1CCC([C@@](C)(N)CCCC2(C)CC2)CC1	1996569402	IEHCAMRHCZNNGR-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCC(F)(F)C1=O	1997565452	DMCPRWCMPZQUHQ-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](CCCC(C)C)NC	2000255809	OUGCPXSFKDOVBO-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](CC(C)(C)C(C)C)NC	2000323514	LXEJUJIEPLOTRI-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H](NCC)C1(CCC)CCC1	2000376071	JQPOOGMVRJUAND-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC[C@@](C)(CNCC)CC(C)(C)C(C)C	2000513028	SXCCEUUONBVAPV-MRXNPFEDSA-N	241.463	4.865	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)CC1(C)CC1	2002504760	QDVODGZSCHMARX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)N[C@H](C)[C@@H]1CCCC(C)(C)C1	2003005905	LTZVSSHEXFMMLM-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCCCCC[C@H]1NC	2003098526	KLTYMIHBRMBIQQ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@H](C[C@@H]1CCCCCCC[C@H]1N)C(C)(C)C	2003116210	HMUMGARUBKKOQO-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
C[C@@H](NCC1CCCCCCC1)C1(C)CCC1	2004822777	PDDAZFCKXGOUJM-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)[C@H](NC)C1(C)CCCCCCC1	2004922814	KVHGVRWLHIISMF-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@@H]1CCC[C@H]1C	2006757594	DRVXBNVTQWLVGB-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCCC(=O)C[C@@H]1CCC[C@@H]2C[C@@H]12	2008277610	LIGVMKZFPVBKCL-GUTXKFCHSA-N	236.399	4.598	0	10	BJAE	
CC=CCCC[C@@H](C[C@@H](C)C(C)(C)C)NCC	2009619052	ICRBIKRNUMHWLS-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCCC1CC(NCCCCCCC(C)C)C1	2009718063	SDUZHPSOLAEIDH-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(CC2CC(=C3CCC3)C2)c(C)c1	2011089023	ZAAOZFUZZKGOOZ-UHFFFAOYSA-N	226.363	4.736	0	10	BJAE	
CCNC[C@](CC)(C[C@H](C)C(C)(C)C)C(C)C	2012421002	HMCPINGZHMVYEG-HOCLYGCPSA-N	241.463	4.721	0	10	BJAE	
CCCNC[C@](CC)(C[C@@H](C)CCC)C(C)C	2012424961	HDYPRLFCYZZTGO-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CCN[C@@H](CC)CCCC12CCC(CC1)CC2	2012834964	ASVBZSFKLQHCRW-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC1CCC2(CCCCCC2)CC1	2013210870	CUFZGCJEGABKOK-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CN[C@@H](CCC(C(C)C)C(C)C)[C@H](C)C(C)C	2015359012	BZRCNFIGSTXODJ-ZBFHGGJFSA-N	241.463	4.575	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)C[C@@H]1CCC=CCCC1	2016114883	MEQAFEASFRKLLW-OWCLPIDISA-N	237.431	4.523	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)CC1(C(C)C)CCC1	2017114319	KOCGVYOZPUNINM-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(F)CN(C)C1CCCCCCCC1	2017470333	KWXPIXMOAJFCJG-UHFFFAOYSA-N	241.394	4.685	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1CC(CCC)C1	2017475516	OJGMEVZTCYJNDK-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@H]1CCC=CCCC1	2017703345	TVBAKNQUNONTTK-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H]2CCCCC2=O)CC1	2017773298	YTBZGGKLXWWVIJ-KKUMJFAQSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@]1(CC)[C@@H](CNCCC)C1(C)C	2018133657	GYXBVIVFRPEQEP-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)CCN(C)[C@H](C)c1ccccc1	2019113986	QOXGMGVIOHNXOB-CQSZACIVSA-N	233.399	4.506	0	10	BJAE	
CCC[C@@H]1CCCCN1[C@H]1C=CCCCCC1	2019125075	XARUQYQQQCDTFT-CVEARBPZSA-N	235.415	4.530	0	10	BJAE	
CC(C)CCCCCN1[C@@H](C)CC(C)C[C@@H]1C	2019344421	MQHIKRUBJHCNCM-HOTGVXAUSA-N	239.447	4.712	0	10	BJAE	
CCCN[C@@H]1[C@@H](CC=C(C)C)CCCC1(C)C	2020365793	YQFUCIYICLBTGT-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC=C(CC)C[C@@H](CC1CCCC1)NCCC	2020974693	SRCIHFHQFDSFIL-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@](C)(N)CC1CC(C)(C)CC(C)(C)C1	2024101272	JKDSIGACKBMGNE-MRXNPFEDSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@H](C[C@H]1C[C@H]1CC)NC	2026169693	KFGXZXSORCMXNY-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)CC1CC(C)(C)C1	2027519053	YQKDWPNXGHANCO-MRXNPFEDSA-N	246.394	4.670	0	10	BJAE	
CC1(CCCNc2ccc(C(C)(C)C)cc2)CC1	2027843878	UPPLSOYNKYWVNQ-UHFFFAOYSA-N	245.410	4.976	0	10	BJAE	
C[C@H]1CCCC[C@H]1CNC1(C2CCCC2)CCC1	2033055896	VZTXMLUVIHKFNM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CC(C)(C)CC[C@H]1C[C@@H]1C=CCC1	2035601631	POZNIPKIRUNYKL-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CCC(C)(C)c1ccccc1)NC	2036505009	HGQCBYFGBRNJHC-MRXNPFEDSA-N	247.426	4.523	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@H](Nc1ccccc1F)C2	2036664271	JICAYFFYCCEHKK-XJKCOSOUSA-N	247.357	4.597	0	10	BJAE	
CCCN[C@H](CC1CC2(CC2)C1)C1(CCC)CC1	2036755963	PTAFNOLSXNNPMY-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@@H](N)c1cccc(C2CCC2)c1	2037086844	FVCKWIXMBCSSON-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CCC1(C[C@]2(N)C[C@@H]3CCCC[C@@]3(C)C2)CCC1	2037106558	JGFILKOBLUNMHC-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC[C@@H]1C[C@@H]1C1CC1	2037128591	QXXYHJUUXTZCSH-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(CCC2=CCCCC2)C1	2037171039	BBQYNJWUCNESLF-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H]1C[C@H](C[C@H]2C=CCCC2)CCC1(C)C	2037871984	SXNSXPUUWMKWDF-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
Cc1cc([C@H](N)[C@H]2CCCC(C)(C)CC2)c(C)o1	2039358125	ZCCPSJXFQFXKSQ-DZGCQCFKSA-N	249.398	4.503	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@H]2C(C)=CCC[C@H]2C)C1	2039437204	RSDYSGQUVJRHGW-UHDSXZAQSA-N	249.442	4.523	0	10	BJAE	
C[C@@H](N[C@@H]1CC[C@H]2C[C@H]2CC1)C1(C)CCCCC1	2039869378	ZDRQDJVRZFPGPJ-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](NC1CC2(CC2)C1)C1CCC(C)(C)CC1	2040684021	PFFKRHXWLLVLKQ-HNNXBMFYSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@]2(N)CCCC3(CCC3)C2)C1	2041289686	KMFXLUBHGVGXNP-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(CCC2=CCCCC2)CC=CCC1	2042089036	LFBIPCYGXFOXKR-KRWDZBQOSA-N	247.426	4.603	0	10	BJAE	
CCCNC[C@@H]1CC[C@H]1C[C@H]1CCC=CCCC1	2045329979	SHKBASFIJKGUBE-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(N)CCCC23CCCC3)C1	2045393754	BNAZNNVBFXAJMV-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CC[C@H](NC2CC3(CCCCCC3)C2)C1	2046309369	AKBXITUUTZBPEO-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCN[C@@H](C[C@@H]1CC12CCCCC2)CC1(C)CC1	2047015876	LPDLZFXSXRYJLO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C[C@H]2CC23CCCC3)C1	2047064047	BHQQNQINNXEVFS-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
c1ccc(N[C@H]2CCCCC23CCCCC3)cc1	2047587749	USMVINCAAGMAFR-INIZCTEOSA-N	243.394	4.992	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048364665	AMFMBVDHSLZSAP-QLPKVWCKSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCCC[C@@H]1N[C@@H]1[C@H]2CCCCC[C@H]21	2048384314	PQVIWYLAQBBAPG-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(C(=O)[C@H]2[C@H]3CCCC[C@H]32)CC1	2049191747	MWUPQJSVFXIJON-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H]2NCC23CCCCCC3)C1	2049509109	QFMPDPPCOWDIOQ-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@H]1CCCC2(CC2)C1)C1CCC(N)CC1	2049852179	BJNWHKJHGXDAEF-WXLSXGNJSA-N	249.442	4.501	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@@H]1CCCC2(CC2)C1	2049949391	YWKKRQMOKJIRSR-GJZGRUSLSA-N	248.410	4.886	0	10	BJAE	
CN[C@H](C[C@@H](C)CCC(C)C)c1ccc(C)cc1	2050441435	MZVUDNMGAONNMG-DOTOQJQBSA-N	247.426	4.718	0	10	BJAE	
CC[C@H](C)[C@H](c1ccccc1)[C@@H](O)CC=C(C)C	2051399529	HXVQDDNUFZFFSX-BHYGNILZSA-N	246.394	4.534	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CCC[C@H]2CC[C@@H]21	2052286638	MXUAZHUZFHEPDR-BHYGNILZSA-N	241.378	4.555	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]3CC[C@H]2C3)CCCCCCC1	2052504873	LXNLFPICBMAAOH-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C(C(=O)[C@@H]2CCCCC23CCC3)C1(C)C	2053355108	AARIGEWISKVVCN-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@]1(CC2CCCC2)CCCCC12CC2	2053357021	LTKRJZFHLFUHDG-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC(C)(C)NC[C@@H]1CCCCC[C@@H]1C1CC=CC1	2053706885	LVHTYXQQJCWRIO-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NC)C12CCC(CC1)C2(C)C	2059258482	HDWNWPLTAMSWOR-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C([C@@]2(N)CCC23CCCCC3)CC1	2061112033	BMBJWWHRGNYFAK-KRWDZBQOSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(N)C2CCC(C)CC2)CC1	2061121641	IBHDFPPLBLPFGB-BJDYSFLHSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1NCC[C@]12CCCC1(CCCCC1)C2	2061513351	RCOSWHFVEOCZLU-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CCC1(NCC2CC(=C3CCC3)C2)CCCCC1	2061729591	YFILMMBLBQNLSI-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)c1ccc(C2CC2)cc1	2062638027	NJFHWXSHYWXBMA-BLLLJJGKSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC1(CNC2CC2)CCCCC1	2062652393	OGDKYSIMUBICPE-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CC2C[C@H]3CCC[C@@H]3C2)CC1=O	2063427472	NJGNKJNZEMCPKL-BPLDGKMQSA-N	248.410	4.598	0	10	BJAE	
CC(C)C(C[C@H](C)c1ccc(CN)cc1)C(C)C	2069016136	NYTZPESKJJDSFL-AWEZNQCLSA-N	247.426	4.567	0	10	BJAE	
CCCC1(C[C@H]2CCCC[C@]23CCNC3)CCC1	2069342005	KTHGZXBHVBWNJM-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)CC[C@H]2C2CCC2)CC1	2071784417	AEQVQOHJSOKEQT-RDJZCZTQSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)C[C@]1(CNC(C)(C)C)CC=CCC1	2072409363	LYOBZWJVEZQQIR-KRWDZBQOSA-N	249.442	4.847	0	10	BJAE	
CC1(C)CCC[C@@](C)(NC[C@H]2CCC3(CC3)C2)C1	2072601958	DOLAVLWVGDRROU-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](CC)Nc1cc(C)ccc1OC	2073347038	PPDXJJSQHWZTTJ-AWEZNQCLSA-N	249.398	4.774	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H]1CCNC2(CCCC2)C1	2074140729	DTOOWBVZIAKBRH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@@H](NC)C2(C)CCC3(CC3)CC2)CC1	2074633583	FNOZTXFPUPTFDQ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](N(C)C2CCC3(CC2)CC3)C1	2074893504	UZTMHWPZUIGMKW-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
CNCC1([C@H]2C=CCCCC2)CCCCCCC1	2075366723	YQZZVDPUGRSBFR-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCCN(C[C@@]12CCC[C@H]1C2)C1CCCCCC1	2076545439	KUDZDUDAYGTUBF-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
CCN([C@@H](C)c1ccccc1)[C@@H]1CCCC1(C)C	2078725086	OJXLCDZSPFMFDL-GOEBONIOSA-N	245.410	4.648	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](NCC)C1=CCCCCCC1	2079442244	ZAUQBCFVNKCGPD-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C[C@@](N)(C[C@@H]1C[C@@H]1C1CCCCC1)C1CCCC1	2079832469	NJNNMJOBNWOLKV-USXIJHARSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2C[C@@H]2C2CCCCC2)CCC1	2079837979	DTZWMRJHILLPCB-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCC1)C[C@H]1C[C@@H]1C1CCCC1	2079841932	LNXXIMUFIUSGPO-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1C[C@@H]2CC[C@@H]2C1	2081785422	LKJNYBUBHRCUPD-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](c1cc(C)cc(C)c1C)[C@@H](C)CC(C)C	2082920248	XBQFNUYCCNEHAT-YOEHRIQHSA-N	247.426	4.555	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)[C@@H](C)CCC(C)C)c1	2082941903	LDLQCGNGOPYXRV-SUMWQHHRSA-N	248.410	4.718	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC(C)(C)C1)C1CC=CC1	2082979397	NIBZOVWXVSFUPU-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@H](O)CCCCCCC1CC1	2210527360	QORPBCFFFDIYQD-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213273384	PRMLGOPHXKXVOP-FZKCQIBNSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCC[C@H]1NCCCCCCC1CC1	2213583362	RDTZHOOTBSREGT-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC)c1cccc([C@@H](C)CC)c1	2214058618	ZXPDALCMCWHAQG-BBRMVZONSA-N	233.399	4.651	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CCCCC2CC2)CC1	2214577219	BKWRRGLIGHECQO-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(CC2(C)CC(C)(C)C2)CC1	2215381477	BCLMODMYFCUEAS-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)C(C)(C)CCC	2216286121	ROMLNWRGSNEULX-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC1CC(CN[C@H](C)CC)(CC(C)C)C1	2217139205	NWGGPJBMIRZDLV-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CCC(F)(F)CC)CN[C@@H](C)CC	2217139431	HBMUEZFRZZGOMY-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCC1	2218331186	CZJDXOLOVMGEFU-ABFRBSLYSA-N	249.442	4.514	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@@]12CCC[C@H]1C2	2218725267	JFLAKPTWARLTAO-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
N[C@@]1(CCCCCCC2CC2)C[C@H]2CC[C@H](C2)C1	2218726632	OCJJZWKSEBGWOF-BJWYYQGGSA-N	249.442	4.645	0	10	BJAE	
C(CCC[C@@H]1CNC12CCCCC2)CCC1CC1	2218727724	RIHDGOJGFXYTDL-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC1(C)CC(C)(C)C1	2221090826	QGYJJBNDKHWMRZ-DZGCQCFKSA-N	248.410	4.764	0	10	BJAE	
CCN[C@H](C[C@@H]1CC1(C)C)[C@@]1(C)CC=C(C)CC1	2221632690	RFRDUZWPGWOASB-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)c1c(C)cccc1C	2221998031	VXNLEQKPOIVCEC-WBVHZDCISA-N	247.426	4.766	0	10	BJAE	
CC(C)CCC(=O)CC[C@H]1CCC[C@@H](C)C1	2242763925	SKBNPAXCXMQJAG-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C=C(CC)CNC(C)(C)C)CC	2244774613	XGKJTNVQMRQITH-CYBMUJFWSA-N	225.420	4.537	0	10	BJAE	
CCCCCC[C@@H](N)CC1CC2(CCCC2)C1	2246821928	UKHUVOYCAISXFY-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)C[C@H]1CCC12CCC2	2247312210	FMNZEGJFNLSSAL-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
Cc1cn(CCCCC[C@@H]2C[C@@H]2C)c(C)c1C	2248865064	GSFOUMCLEYUAMZ-BLLLJJGKSA-N	233.399	4.630	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@](C)(O)C1(C)CCC1	2248865434	JBRASWXCJJORQI-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(-c2cc(O)ccc2C)c(C)cc1Cl	2249086389	YQDPJMOMWOGVLE-UHFFFAOYSA-N	246.737	4.638	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@@H](CC)CCC	2250354651	FNOBKPQZIJHIBP-NJEVBOHQSA-N	239.447	4.927	0	10	BJAE	
CCCCC[C@H](C[C@]12CCCC[C@H]1CC2)NC	2251162177	JSAPGRFJWHZDGY-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCC1(C[C@@]2(O)CC(C)(C)CCC2(C)C)CC1	2251679469	UGGYMMLRVSRQHM-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC1(C)NCC[C@@H]1CCC[C@@H]1CCCCC12CC2	2253891033	UVEFNIGKCFTQKT-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCc1occ(C)c1C(=O)CCCC[C@@H]1C[C@@H]1C	2254582525	RVXALMSRISUGML-WCQYABFASA-N	248.366	4.550	0	10	BJAE	
CC1(C)CC(N)(C[C@H]2CCC23CCC3)CC1(C)C	2255008529	JOPGFTVNWXEXNV-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@]1(CC2=CCCCC2)CC[C@H](C)C1	2255103416	UMGCYRRNHGDOTE-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
C1=C(CN2CCC[C@@H]2C2CCCCC2)CCCC1	2255144507	VGUQVEYJYYTRGF-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
CC[C@H](C)c1cccc(CC2=CCCCC2)c1O	2255183420	GISIGGMAIKTFIA-ZDUSSCGKSA-N	244.378	4.949	0	10	BJAE	
Cc1cccc(NCC[C@H]2CCCC23CC3)c1C	2255288251	PAMNMUYREIDWCG-OAHLLOKOSA-N	243.394	4.686	0	10	BJAE	
CCc1cccc(F)c1NC1C[C@@H](C)C[C@H](C)C1	2256115042	LVFKPKIFUPMBPC-RYUDHWBXSA-N	249.373	4.625	0	10	BJAE	
CC(C)(C)C1CCC(=C2CCCNCCC2)CC1	2256993684	NKBCDBKRAMDWEO-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CCC[C@H]3C[C@@H]32)c1	2257905412	BGLCGNMFWQXWEB-VBNZEHGJSA-N	243.394	4.585	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1ccccc1C1(C)CC1	2259449566	WHZFFILFCFFVDU-XJKSGUPXSA-N	246.394	4.598	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@]23CCCC[C@@H]2CC3)C1	2260530698	ISNPLHMUJNAGJX-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@]23CCC[C@@H]2CC3)C1	2260568114	SFVSDCCBSKCNRF-VBQJREDUSA-N	248.410	4.742	0	10	BJAE	
c1cc(C2CCCC2)cc([C@H]2CCCCCN2)c1	2260726055	WGYGTHBQIQSKAL-QGZVFWFLSA-N	243.394	4.549	0	10	BJAE	
CC1=C[C@H](N[C@H]2CC(C)(C)CCC2(C)C)CCC1	2261395436	OGLNQGCCVKHGHR-CABCVRRESA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H]1[C@H](CC2=CCCCC2)CCC1(C)C	2261423462	BOSLEQBFELQMBK-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1CC(CCC(=O)C2CC3(C2)CC(C)(C)C3)C1	2261513568	MPQVVYYDIPNVMY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CC1CC2(CCC2)C1	2300468048	GNNCWSLUHDOAHJ-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@H](C)CC(C)(C)C	2300677648	BTJYVMAWMAOZIP-HIFRSBDPSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)C1(C)CCC1	2300678939	OMMYBULQMXDTRI-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@@H]1C(C)=CCC[C@@H]1C	2300684680	WVRTVHYMEIWUID-CWRNSKLLSA-N	237.431	4.523	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C[C@H]1CC1(C)C	2300686697	UCGKWDDTPFSOJQ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@@H]1CCN[C@H](C(C)(C)C)C1	2300702396	WVRZFLXJMIHITA-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@](CC)(CNC1CC1)C(C)C	2300866272	YQIUDNNPDRUNLN-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@@H]1CCCCNC1)CCCC(C)C	2300867445	MFLWFTHYGQRDSK-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CC(=CC[C@@H](C)[C@@H](C)C(=O)O)CCCC(C)C	2300917738	DCSOMIKLAWDQDJ-ZIAGYGMSSA-N	240.387	4.506	0	10	BJAE	
CC[C@](N)(CC1CCCCCC1)[C@@H]1CC1(C)C	2301144391	DAJIBSLTRHKTJC-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@H]1CCC[C@@H](C)CC1	2301836466	MXMOXTWNGNGZFI-QPSCCSFWSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CCC[C@@H]1C(=O)CCCC1=CCCCC1	2302356494	NWTOBYCKFMKHAU-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
O=C(CCCCC1=CCCCC1)c1cccs1	2302361964	TVBBOKIXSRIKTD-UHFFFAOYSA-N	248.391	4.992	0	10	BJAE	
CCC(CC)C[C@H](O)C[C@H]1CC[C@H]1C(C)(C)C	2303488891	BCVCMMLPSHBGCO-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC[C@@H]1CCC(C)(C)C1	2304351475	HYYBBURJZLKFKT-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC(C)CNCCCCC[C@H]1CCC(C)(C)C1	2304409641	FEGYXIYXSOLSDE-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)NC[C@H](C)CC[C@H]1CCC(C)(C)C1	2304427550	GAYPMBGFLRMWRV-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC1(N)CC2(CCCCC2)C1	2307827752	BGWOMGOLKGFOEN-CQSZACIVSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)C(C(C)C)C(C)C	2307836175	WTALBZPUPQGEGY-HOCLYGCPSA-N	242.447	4.882	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)[C@@]12CCC[C@@H]1C2	2308101807	JSKIGVZYUBEUNX-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2310179212	IITBKQNWZARMRY-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@]2(N)CCC[C@@H]3CC[C@@H]32)C1	2312670680	QXTLZSUBPPEPIC-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@]1(N)C[C@H]2C=C[C@@H]1C2	2313232462	CINJZJBGPUVNSA-TWMKSMIVSA-N	249.442	4.523	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C(CC2CC2)CC2CC2)C1	2313607954	HFXHZWUQFRPBKU-CXAGYDPISA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H](C)CC2CCC2)cc1	2313660768	SKGNQROOYBXXEF-CXAGYDPISA-N	246.394	4.670	0	10	BJAE	
CCc1cc(C(=O)[C@H]2CCCC2(C)C)ccc1C	2314698514	ZTUVBAFVFDMBOQ-OAHLLOKOSA-N	244.378	4.566	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H]1CCC2(CC2)C1	2316511992	YKNOPXAHONNBCE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCC(C)=CC[C@H](O)[C@H](c1ccccc1)C(C)C	2316533534	APFNFGXINYOOEP-IRXDYDNUSA-N	246.394	4.534	0	10	BJAE	
C1CCCC(C[C@@H](CNC2CCC2)C2CC2)CC1	2316919079	BURWJHLCPFQMPR-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C1[C@@H](C)C[C@@H]1C	2316992110	HNFKFUOPZPNIHC-OFQRWUPVSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CCC(C)(C)C2)c1F	2319114257	FEQUDEFRRDUSGG-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CCC[C@H](C)[C@H]2C)CC1	2320268727	SNVIKRMLBUMVTP-RKTXRCNFSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(NC[C@H]2CC[C@@H]2C(C)(C)C)cc1C	2320319499	GCEAJSRUSFMIBR-ZBFHGGJFSA-N	245.410	4.788	0	10	BJAE	
CCN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@H]1CC1(C)C	2320387287	FQLRMZPZBJVJMD-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)C1(C(C)C)CC1	2320388596	RJNOQLBPYIRJRI-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](C[C@@H]1CCC(C)=C(C)C1)NC	2320395347	DLZFPMQKKNSMBV-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCN[C@H](C)[C@@H]2C)CC1	2321287010	APXVJLBWKJXYKE-FZKCQIBNSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1	2321623420	YCRGSAPSUHDNGH-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)C(C2CC2)C2CC2)C1	2321636501	JGRBPDOBPHOYJS-GFCCVEGCSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](c2cc(C)ccc2C(C)C)N1	2327787012	QGMZVXBJWSBBMP-WMLDXEAASA-N	245.410	4.712	0	10	BJAE	
CCC[C@H](CC)CC[C@H](NC)c1cccc(C)c1	2328293885	QTKHVYADNYEZEW-RDJZCZTQSA-N	247.426	4.862	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](N)C2CCCCC2)c1C	19231367	NMQALNUVFCXQIF-QGZVFWFLSA-N	245.410	4.500	0	10	BJAE	
CCCCCCNc1ccc(C)cc1Cl	20359191	IQAUYLSUTAUPBZ-UHFFFAOYSA-N	225.763	4.641	0	10	BJAE	
CCCCCC[C@@H](C)Nc1cc(F)cc(F)c1	20520109	VGNCLGVOJNAAJW-LLVKDONJSA-N	241.325	4.736	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)c1ccccc1C	21505944	BNOGXGOEEJSBKE-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CC(C)C[C@@H](N)c1ccc(C(C)C)cc1C(C)C	21516798	YVEKKOAPLRSBJZ-QGZVFWFLSA-N	247.426	4.979	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C2CCCCC2)cc1	21520110	CUMGVOMEVPTVLU-SUMWQHHRSA-N	245.410	4.780	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1C(C)C)C(C)C	35493927	UHATWGNQERTVDP-KRWDZBQOSA-N	247.426	4.850	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCC)c1ccccc1	35540481	FDZBHWGTJBFUAX-ZBFHGGJFSA-N	233.399	4.554	0	10	BJAE	
CCCC(CCC)N[C@H]1CCCC[C@@H]1CC	37031866	UUDUMDXLNSJLKF-ZFWWWQNUSA-N	225.420	4.514	0	10	BJAE	
COc1c(CCC=C(C)C)cccc1C(C)C	39020029	KROOTJNASIHASH-UHFFFAOYSA-N	232.367	4.717	0	10	BJAE	
CCN[C@@H](C)c1oc2c(C(C)C)cccc2c1C	40996197	KFISEGLSRGLSAO-LBPRGKRZSA-N	245.366	4.535	0	10	BJAE	
C[C@H]1CCC[C@@H](CCNC2CCCCCC2)C1	70538004	FCWMBOLDSNDIOT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC[C@H](CC)C1	71112242	NJLBIZMBLLEBOM-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1ccc2[nH]ccc2c1	71159047	SXRUCONKOSEMRS-BLLLJJGKSA-N	242.366	4.549	0	10	BJAE	
CCCc1ccc([C@@H](C)NC[C@@H](C)C(C)C)cc1	81047318	UHAHQYVCUHGWAK-HUUCEWRRSA-N	247.426	4.582	0	10	BJAE	
CC[C@H]1CCC[C@@H](NCC2(C)CCCC2)CC1	86909194	YMGBQBYMSSBOQJ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cc(C)cc(F)c2)C1	91510746	XPVLTXCOGVJTQE-GXTWGEPZSA-N	235.346	4.515	0	10	BJAE	
CC[C@@]1(c2ccc(C(C)C)cc2)CCCCCN1	91874440	JNQKSDYWQVWLTF-KRWDZBQOSA-N	245.410	4.579	0	10	BJAE	
CCCCC[C@H](C)NCc1ccccc1C1CC1	94518360	TYXLJQOMOTWVMQ-AWEZNQCLSA-N	245.410	4.622	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(CC)c(CC)c1	97470622	YQKJUONCTYMFMY-KRWDZBQOSA-N	248.410	4.815	0	10	BJAE	
CCCC[C@H](C)N[C@@H](C)c1ccc(CCC)cc1	103976718	KLJIUKLSAKYZLH-GJZGRUSLSA-N	247.426	4.868	0	10	BJAE	
CC/C=C\C[C@@H](C)c1ccc(CC)cc1	107484896	MBOUBFGYPMROPP-FMFIFOJESA-N	202.341	4.709	0	10	BJAE	
CC/C=C\C[C@H](C)c1ccc(C)c(C)c1	107529633	WIZYGVWEJNNALI-FWWRYZNZSA-N	202.341	4.763	0	10	BJAE	
CC[C@@H](N)CC[C@@H](C)c1c(C)c(C)cc(C)c1C	107657515	JGKLBDAHSWINDB-BDJLRTHQSA-N	247.426	4.541	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CC)c1ccccc1	109656241	QEXWYWYWBQHKAB-HOCLYGCPSA-N	233.399	4.554	0	10	BJAE	
CCCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1NCC	109664806	DMPMEIPEKLMOEY-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)C(CC)(CC)c1ccccc1	109747657	UWSRSLYWFKTZAS-GDBMZVCRSA-N	247.426	4.508	0	10	BJAE	
CC(C)c1ccc(N[C@@H](C)C2CCCC2)cc1	109754550	FJZFSUSEEHZSOH-ZDUSSCGKSA-N	231.383	4.801	0	10	BJAE	
CCCN[C@@H](c1csc(C)c1)[C@@H](C)CCC	129482020	SCJBUYRHZGKVMC-SMDDNHRTSA-N	239.428	4.533	0	10	BJAE	
CCCCC[C@@H](NC)c1cccc(C2CCC2)c1	133636671	JFWOAMOTUSPWTG-QGZVFWFLSA-N	245.410	4.795	0	10	BJAE	
Cc1cccc([C@H](O)C2CCCCCCC2)c1C	158914504	CLJLUCOZBFVHPP-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CC(C)CCC[C@]1(N)CC[C@H](C)c2ccccc21	165693478	XKQMUNQBKRCHGB-YOEHRIQHSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CC2CCCCC2)C1	203541578	BMHNXRPULPSERP-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@H]1CCCCC1(C)C	226564178	BWBSFTADLOWDTE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](N[C@H](c2ccccc2)C(C)C)C1	227191100	HELZTMIRWQTEAE-XIRDDKMYSA-N	245.410	4.552	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)c1ccccc1	233620080	VUYDFQFZLIXBLI-QGZVFWFLSA-N	243.394	4.618	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H]1CC[C@@H](CC)[C@H]1C	251389575	SZTUBEPDOWCGGH-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C[C@H](C)CC)NC	252899858	IEXPNGDKRQANMQ-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CCCC(CCC)[C@H](O)CCCC(C)(C)C	300926235	UKLRPJYIUBIKJQ-CQSZACIVSA-N	228.420	4.780	0	10	BJAE	
CC[C@@](C)(CNC(C)(C)C)C[C@H](C)CC(C)C	305905599	COEAAUJZWRXLKM-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CCc1cc(NC[C@@H]2CCC[C@@H](C)C2)ccc1C	306003928	LGLGKVQKVKMMNF-UKRRQHHQSA-N	245.410	4.796	0	10	BJAE	
Fc1cc2scc(Cl)c2cc1C(F)F	307022604	FDDSVMVMCLXOEV-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](NC)c1ccc(C)cc1	308051231	HLOFNTBZSYZVFX-DLBZAZTESA-N	247.426	4.718	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC1(CC)CCC1	309373611	QNFOMGMFPASOPH-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H](C)C1CCCCC1	310365040	VSBZVPYPOFJLHE-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(O)CCCC12CCCCC2	313036305	GZUCHCIQEQMFNJ-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@](C)(CC)C[C@H](C)c1ccccc1	317446435	YREXHVGTSCZDLV-DOTOQJQBSA-N	247.426	4.596	0	10	BJAE	
CC(C)(C)[C@H](NC1CCCCCCC1)C1CC1	324000299	NAESRCVYUFSDRT-OAHLLOKOSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)CC1(CC)CCC1	379762837	FUNSYBGRRWQSEV-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCC1CCC(C)(C)CC1)CC(C)C	383923067	RFEXXRKKDBYGSJ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC/C=C\CNC1CCC(C(C)(C)CC)CC1	384806145	ZOOICOCFVDOSQB-FPLPWBNLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)CCC1=CCCCC1	384826381	DIDNGMFEZWHDAQ-HUUCEWRRSA-N	237.431	4.681	0	10	BJAE	
CCCc1ccccc1C(=O)[C@@H]1CCCC[C@@H]1C	385061313	UUQRAAWFBJRNFU-DZGCQCFKSA-N	244.378	4.648	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)c1sccc1C	385845763	WQPXTGKNJPQLEU-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1[C@@H](C)CCC[C@H]1C	391189096	USHKQLWYTWBTRA-FICVDOATSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](O)(CCCC(C)(C)C)C(C)(C)C	395318475	KFWABKNXIBZCBR-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CCOc1ccc2c(C)csc2c1C(F)F	396242492	MTISTAICVMIDMJ-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](CC)[C@@H]1CC1(C)C	397716374	WGBZKERYPHYPBN-SOUVJXGZSA-N	239.447	4.760	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H](C)C(C)(C)C)C1CCCCC1	399139162	SWQQFBRMTJUFON-VNHYZAJKSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](c1ccccc1C)[C@H](C)C(C)(C)C	399179644	RIIAMEZUQWMPCV-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
C[C@@H](C(=O)CC/C=C\c1ccccc1)C(C)(C)C	399305692	KGNYJELRQGCVNY-UNJUUPHPSA-N	244.378	4.731	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1ccccc1C	401784243	CNLZDVDLEXVVCB-CABCVRRESA-N	231.383	4.623	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2CC=CCC2)C1	402189772	ZHGLKTZQBFQNQT-QLFBSQMISA-N	234.383	4.518	0	10	BJAE	
C[C@H](C[C@H](N)C[C@H]1CC=CCC1)CC(C)(C)C	402245071	HRFIZEBIXCDPLI-ILXRZTDVSA-N	237.431	4.523	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)CCC[C@@H]3C	527395802	BZVKCMGSGZIYTM-NSHDSACASA-N	227.351	4.731	0	10	BJAE	
CCC(C)(C)CCN[C@H]1C[C@@H](C)CC(C)(C)C1	686307386	YKILFVXTYSKIQR-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](CCCC1CCC1)NC	688371089	WLJDBRWLYGEPRL-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1cccc(-c2ccc(Cl)cc2N)c1	688966614	FOCZKLFBYLJSMV-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
NC1(C/C=C/c2ccccc2)CCCCCCC1	690321335	CVIDCQKKNNRNSG-FMIVXFBMSA-N	243.394	4.532	0	10	BJAE	
CCCC1(CN[C@H]2CCCCC[C@@H]2C)CCC1	691052866	HTJAUZDXWDAWNO-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@H](C)c1ccco1	691098073	HXHJYFQREUYQJA-ILXRZTDVSA-N	249.398	4.535	0	10	BJAE	
CCCCCC[C@@H](NCC)C1CC2(CCC2)C1	691922872	YBUMFMOUXVTTKF-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC1CCCC1)N[C@H]1CCCC[C@H]1C1CC1	695837522	KQIQDERRAKIZTF-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@H](NC)c1coc2ccccc12	696204967	FUIKABQMHIBWEY-AWEZNQCLSA-N	245.366	4.520	0	10	BJAE	
CC[C@@H]1CCC[C@](CCC=C(C)C)(CNC)C1	698025095	QLYKMTRKPPVHEJ-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(CC)[C@@H]1C[C@@H](C)Nc2ccccc21	701141437	YVVXTMBHVMGLGJ-TZMCWYRMSA-N	231.383	4.801	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccccc1C(C)(C)C	701342933	DTFFRXGSOTZOAZ-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CCCC[C@H](CC)C[C@@](N)(CC)C(C)(C)C	704930086	BIPCKJORQCYXMS-ZFWWWQNUSA-N	227.436	4.747	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(N)CC2CCC1CC2	704959690	VXHPWMBFOISANP-LMPOIIKSSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)CNCC[C@H]1CC=CCC1	706866904	GDHVBNKJEGQLTF-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)CC1(C)CCCC1	707547319	RSXWBSZXAJQEAA-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1C[C@H](C)CC(C)(C)C	709103622	PIWIPIVILJQNND-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@H](C)[C@]12CCCC[C@@H]1C2)C1CCCC1	709246769	OEQWRAGEACPQHI-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@H](C)CC1CCC1)c1cccc(C)c1	710196288	OESQNGXVBMDAIA-RHSMWYFYSA-N	245.410	4.614	0	10	BJAE	
CCN[C@@H](CC[C@@H](C)C(C)(C)C)c1ccccc1	710758992	DAXMYQSWURAOTR-ZBFHGGJFSA-N	247.426	4.800	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1CC[C@H]2CCCC[C@@H]2N1	712300870	ULFWQPGFIXOYBW-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CN[C@H](C)CC2CCCC2)C1	712532678	DJBQVWJEKWESRK-LXZKKBNFSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c([C@](C)(O)CC(C)(C)C(C)C)c1	713184541	UELBTEVJVMTOEH-QGZVFWFLSA-N	248.410	4.583	0	10	BJAE	
CC[C@@H](C[C@@H](O)CC(C)(C)CC)C(C)(C)C	713216126	FQJHTOXVNIYVBE-QWHCGFSZSA-N	228.420	4.636	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CC)C[C@@H]1CC(C)(C)C	713246854	XSTSXINASMHZDU-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
O=C(C1CCCCC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714432753	GGWMUUOELVGCHJ-VNQPRFMTSA-N	248.410	4.742	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC(C)(C)C[C@@H]1N	717528968	QEGKKTGQTUCRMZ-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1(C(C)C)CC1	718532991	YKPKFJXPIRXVHW-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)CCC(C)=C(C)C	718655500	YJGKSKVLYFNVSC-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNCC)CCC=CCCC1	719089283	LBNWSOVIAIWSPP-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CC(C)c1ccc(NC2CCCCCCC2)cn1	1308950176	DKINTKWZLMVZOU-UHFFFAOYSA-N	246.398	4.730	0	10	BJAE	
C/C(=C/Cl)CS[C@@H](C)C1CCCCC1	1643879883	GGTHGAODLYRVBY-IEHMKBBKSA-N	232.820	4.831	0	10	BJAE	
C1CC(CCCN2CCCC[C@H]2CC2CCC2)C1	1643914587	BVAZNMQBZQXEIY-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H](C)[C@@H](CCC(CC)CC)NCC	1900701736	GOWPOMOKOZLFGY-DZGCQCFKSA-N	227.436	4.617	0	10	BJAE	
CCCCN([C@@H](C)[C@@H](C)C(C)C)[C@H](C)CC	1901725665	YJCZZDRSQIQVEM-ILXRZTDVSA-N	227.436	4.568	0	10	BJAE	
CCC(C)(CC)c1nc(CCC2CC2)cs1	1901909015	PEWWAVCEXKHJTL-UHFFFAOYSA-N	237.412	4.563	0	10	BJAE	
Clc1cccc(Cl)c1CC1=CCCC1	1905144348	WMUFBZLEIZANGO-UHFFFAOYSA-N	227.134	4.646	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CCC(C)(C)C)NC	1905449065	ZSLZIAZCXXQHHE-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)[C@@H](C)CCC	1905451986	BADBANZMTKQZLH-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]2CC)CC1	1909711215	QVDIALRYPLZDBT-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCCC=CCN[C@H](CC)c1ccc(CC)cc1	1914683217	ZYFRKIHKUPZBIZ-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CCCC1CC(CN[C@H](C)CCC(C)(C)C)C1	1921224302	BTTIZTWZDRNENN-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)[C@@H](C)C1CCCC1	1924112082	PVCFUKSVIBBBKB-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
CCc1ccsc1C(=O)C[C@@H]1C=CCCCC1	1925765990	ZVKXHBDFROMNPA-GFCCVEGCSA-N	248.391	4.630	0	10	BJAE	
CCCN[C@H](C)C[C@@H](C)C[C@@H]1C=CCCCC1	1925946198	QYRMOZFGCDHPIL-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCCC1(C)CC1	1935940137	OAOTUBRWQVKHEA-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)C(=O)CCC[C@@H]1CC1(C)C	1935942200	ZNVURCBYHNMMSL-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](C(=O)C[C@H](C)CC(C)C)C(C)C	1936205709	CWNQKYPCSZIPTJ-KGLIPLIRSA-N	226.404	4.700	0	10	BJAE	
Cc1cccc(O[C@H](C)CCC(C)C)c1C	1937172658	CSGAZQTXYCQILH-CYBMUJFWSA-N	220.356	4.507	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](N)(CC)CC1CC1	1939405501	SXRQILLDVJVEBX-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](O)c1ccccc1C(C)C	1940615971	JIJPXHSVSBJKOC-XJKSGUPXSA-N	234.383	4.670	0	10	BJAE	
CC[C@H](C)[C@@H](C)NCC(C)(C)C1CCCCC1	1940762537	JMLMLXRHGVIYQO-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C1(C)CC(C)(C)C1	1941987990	OMBHRGMFUQUPHT-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)C[C@@H](C)C1CC1	1944525792	RFZFBKBPZFJINE-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)C(C)(C)C(C)C	1944668317	MDAZXEIFKOVMFY-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC(C)(C)C1)C(C)(C)CC	1945590159	CAKRNUSLLXEGTF-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C1=C[C@H](CCCCCC2CCOCC2)CCC1	1947553489	YVCAATHXAJELRW-HNNXBMFYSA-N	236.399	4.720	0	10	BJAE	
CC[C@@H]1C[C@H]1CC1(O)CCCCCCCCC1	1947877778	ATSGBJRASQDMDJ-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
Cc1cc(C)c([C@H](N)C2=CCCCCCC2)s1	1948948996	CLBVFRTVYOQEDO-CQSZACIVSA-N	249.423	4.645	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@@H]1CCC(C)(C)C1	1949534520	DWDXVNGBZGLLKC-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
NCC[C@H]1CCC[C@H](CCC2CCCCC2)C1	1950493124	FGLHALPFPGXLGB-HZPDHXFCSA-N	237.431	4.502	0	10	BJAE	
CC[C@H](N[C@H]1CC[C@@H](C(C)C)C1)c1ccccc1	1963322034	DPIVHGKIVRLKLC-IKGGRYGDSA-N	245.410	4.552	0	10	BJAE	
CN(CCCC(C)(C)C)C1CC(C(C)(C)C)C1	1963349447	IXIQRBASQQSOGH-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC1=CC[C@H](N[C@H](c2cccs2)C(C)C)CC1	1964536668	CKPCKPVUYSZNMW-ZFWWWQNUSA-N	249.423	4.534	0	10	BJAE	
CC1(C)CC[C@H](NC2C[C@@H]3CCCCC[C@H]3C2)C1	1967876863	ONSFACOXTBOMCC-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NC[C@@H]2CCCC3(CC3)C2)cc1F	1968320821	RQNBEFKKCGPGFA-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CCN(CCC1CCCCC1)c1ccccc1F	1968591380	HYGDBSDOTORWAV-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
Cc1cc(NC2C[C@@H]3CCCC[C@H]3C2)ccc1F	1968592646	XIAVGJAYCNUUAX-STQMWFEESA-N	247.357	4.515	0	10	BJAE	
Cc1cccc(N[C@H]2CCCC3(CCC3)C2)c1F	1969471797	SKMFKSMNZCSVFE-ZDUSSCGKSA-N	247.357	4.659	0	10	BJAE	
CC1(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)CCCCC1	1970680129	MJEBAGWCFWNJGP-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cc(C(F)F)cs1	1977079869	YXEUVVGTVZHQIA-KCJUWKMLSA-N	247.354	4.512	0	10	BJAE	
CCCC[C@](C)(CC=C(C)C)CNCCC	1978663076	DDYYDUCMAGGBCH-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H]1CCCCCCCC1=O	1980317994	ULKJINRWNKWXHM-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@]1(C)C=CCC1	1980475205	HBOKOVDNNPCGFW-DZGCQCFKSA-N	222.372	4.518	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](CCC(C)=C(C)C)C1	1982563949	DTCGAKBRRCGVEH-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCC[C@](O)(CC1(CC)CCC1)C(C)(C)C	1988435203	SLILGAIQIUWZJP-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@@H]1CCCC(C)(C)C1	1994026369	PKJJANXSELXCKB-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC=C(CC)c1cscc1[C@@H](C)NCCC	1994693247	FQLFTRZEYYDRQG-LLVKDONJSA-N	237.412	4.622	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@]2(O)CCCC(C)(C)CC2)C1	1996263591	AZYDSEVGRBZGJP-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(C1CCC(C)(C)CC1)[C@@H](C)C(C)C	1996584445	ACKMWNVONJKKCC-BBRMVZONSA-N	239.447	4.602	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2CC(C)C2)CC1	1997116147	JGVBDSQLWIHUFS-SHWKFHJASA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC)[C@]1(C)CC=CCC1	1997545532	DBAPJSYUAAIYBT-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CCC3(CCC3)C2)c1	1998695996	MAJNGHDEMKDLKT-LBPRGKRZSA-N	249.785	4.783	0	10	BJAE	
CC(C)NCC(C)(C)C[C@H]1CCC=CCCC1	1999991831	CPHQFAZJUFFTRJ-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@H](O)CCC[C@H]1CCC=CCCC1	2000012302	VVUIMJZNZNRXER-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@](C)(CN)CC1CC(C(C)(C)C)C1	2000498833	DNGKYFKQJQRFQV-ZBCRRDGASA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)C[C@@H](C)CCC	2000513222	KHPMEKKPGOPEIF-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)[C@@H]1CCCC(C)(C)C1	2003025277	UUZOBKHAVZRHSU-RBSFLKMASA-N	239.447	4.602	0	10	BJAE	
CCC1(CC)CC(N)(CCC2=CCCCC2)C1	2009307132	WNQQXHUTDDMUHT-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC[C@@]12CCC[C@H]1C2	2010983478	VZCUENSLYNBKJD-SQWLQELKSA-N	238.415	4.534	0	10	BJAE	
Cc1ccccc1N[C@H]1CCCCCC12CC2	2011279338	XZFGCBKMFOMNHW-HNNXBMFYSA-N	229.367	4.520	0	10	BJAE	
CC[C@H](C[C@H](O)CCC[C@H]1C[C@H]1C)C(C)(C)C	2011560952	GULOADUAYRLODH-LXTVHRRPSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C[C@](C)(N)CC12CCC(CC1)CC2	2012831728	JFALWGJTQFLERB-SIWZUTFBSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CCC(C)C)[C@H]1CCCC(C)(C)C1	2013271742	VESSQHYKJGKTPZ-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@H]1CC12CCCC2	2013295935	INPMREMIHUDALL-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CN[C@H](CC)CC1CCCCC1	2013470965	NHYHJWHHEZHXHD-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CC1CC(N)(CC2CCCCC2)C1	2014655120	IMEPHUBTEMRABN-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)C)[C@H](C)CC(C)(C)C	2015291578	TYXWSFPQNXODCB-RRFJBIMHSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)CC(C(C)C)C(C)C	2015409396	QKDANAOHPOCUIU-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCC[C@H]1CC1(C)C	2016148932	FGLPWRJXGKJLAP-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(N[C@@H](C)CCC=C(C)C)C1	2016150599	WDGKGVZJARSRCH-FHERZECASA-N	237.431	4.680	0	10	BJAE	
CCCNC[C@@](C)(CC)CC1(C(C)C)CCC1	2017145967	NWOIBGXOPROMBL-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC1([C@@H](O)C[C@H]2CC[C@H](CC)CC2)CCC1	2017649627	XYSQFUVQXTYMHT-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@H](C[C@H]1CC[C@H](CC)CC1)NC	2017720563	HODVPCBCPMHLRH-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C[C@@H]2CC2(C)C)CC1	2017773559	CDFDLTHPKZMFPX-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C1CCC1)C1CC1	2018128239	XOYHKPCONQPYRD-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](CC)NCC1(C)CCCCC1	2018138484	HSUIHYUHHBPOEW-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCCC1(C[C@@]2(O)CCC(C)(C)C[C@H]2C)CC1	2018976174	VGVDYJIQQAJWMP-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CC[C@H](NC(CC(C)C)CC(C)C)C1	2025587964	SMDWPSREZZMPET-GJZGRUSLSA-N	239.447	4.616	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)C1(C2CC2)CC1	2028101810	SOELHZYDBLBESV-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](NC)c1cccc(C2CC2)c1	2028555470	UJLNDIQNNYRPAR-DLBZAZTESA-N	245.410	4.507	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cccc(C2(C)CC2)c1	2028556865	IDYUXBOJKIPTAS-CJNGLKHVSA-N	245.410	4.564	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1ccc(C(C)(C)C)cc1	2032291025	MVUNRBPRAAULRO-UHFFFAOYSA-N	246.394	4.849	0	10	BJAE	
CCCC[C@@H](CC=Cc1ccccc1)NCCC	2036506736	WMFIHPHZNYIKFA-KRWDZBQOSA-N	245.410	4.648	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@@H](c1ccccc1)C(C)C	2037097164	HJXRBQWQWBCLLH-BHYGNILZSA-N	247.426	4.580	0	10	BJAE	
CC1(CCC[C@]2(N)C[C@H]3CCCC[C@]3(C)C2)CC1	2037175824	KTKWCPRJOMNBHS-OIISXLGYSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@](N)([C@@H]2CCC3(CCCC3)C2)CC[C@H]1C	2037591984	LDCXTVDCKUXQQP-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1CCCCC1)CC1CC2(CCC2)C1	2037975179	ULFMWBXVEUAOAF-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)C12CCC(CC1)C2	2039865108	MKDIXXZXALINKW-VEAWUBTESA-N	247.357	4.515	0	10	BJAE	
C[C@@H](N[C@H]1CCC12CCCC2)C1(C)CCCCC1	2039868251	OKRYYGYEQHRTTK-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](C1CCC(C)CC1)C1(C)CC=CC1	2042017095	QVIPPXRGTBQTEC-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1=CCCCC1)N[C@@H]1CCCCC[C@H]1C	2043186627	GFRGWALEAWGWDL-BFYDXBDKSA-N	249.442	4.824	0	10	BJAE	
CCN[C@H]([C@@H]1C=CCCC1)[C@H]1CCCC[C@H]1CC	2043188088	QTXKXUVDNLENJZ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)C[C@@H]2CCC=CCCC2)CCCCC1	2045316378	CZKBHMHAOGNCJX-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1C[C@@H]2C[C@@H]2C1	2045847726	KYMTZYDVVPNSAA-MKZZRHPPSA-N	244.378	4.543	0	10	BJAE	
CCCC[C@@](C)(CNC1CC1)C1CC2(CCC2)C1	2046004805	KZHMIEHJHCLRNF-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCCC1CC1)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047411008	WZXLMKJFHSHJCI-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)[C@]1(C)C=CCC1	2050006296	MCEWXEVNAWXLBG-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@H](O)CC[C@@H]2CCC[C@@H](C)C2)c1	2050429339	YAJIIXPFXROLNX-UKPHBRMFSA-N	246.394	4.635	0	10	BJAE	
Cc1cccc(C(=O)C[C@@H]2CC[C@@H](C)[C@H](C)C2)c1	2050456210	OFDZLHZMHKXKFN-RBSFLKMASA-N	244.378	4.640	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC[C@H](C)C1)c1ccco1	2050525634	QAGHMJSUGUIYTH-RRFJBIMHSA-N	249.398	4.537	0	10	BJAE	
C[C@H](NCC1(C2CCC2)CC1)C1(C)CCCCC1	2051912757	XLOAAPUBPRLMLJ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1CCC[C@@H]2CC[C@H]21	2052286639	MXUAZHUZFHEPDR-DJIMGWMZSA-N	241.378	4.555	0	10	BJAE	
CC(C)c1ccncc1N[C@H]1CCC[C@@H](C)CC1	2053852906	CJUSNKZHUIMQGB-KGLIPLIRSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CCC[C@H]3C[C@H]23)C1	2057357585	LWCIGIXVBAOZHG-YXMSTPNBSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C1(C2CC2)CCCC1	2057599930	YDVQHPJSMWAYLU-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)c1cccc(C)c1	2059250542	RHFLYLIOPFCILD-YXMMZVCTSA-N	245.410	4.782	0	10	BJAE	
CCCCC1CC(NCC(C)(C)C2=CCCC2)C1	2059395796	QCKRLAVWMWEWEQ-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C2=CC[C@H](C)CC2)cc1	2060930124	QFYJSSBGFOAMGT-GUYCJALGSA-N	244.378	4.590	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)[C@]1(C)CC1(C)C	2061091558	JZVMTZASQZOKPO-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)C1(CC)CC1	2061095977	QSYGSORAJKJDJN-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCC1(C)CC(N)(C2=CC[C@@H](C(C)(C)C)CC2)C1	2061121586	HNCAZIKYFJOFCD-NVPAJSRCSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC1CC(C)C1)C1=CC[C@H](CC)CC1	2061141454	VMZWAGLZOVHODS-INTUILBWSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CC2)C1)C(C)(C)C(C)C	2061730265	GITWYENBUDSYEF-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](C[C@H](N)C2CCC3(CC2)CC3)C1	2062820221	UYXSGSFYLYVMPS-DZKIICNBSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CC1C[C@@H]2CCC[C@H]2C1)C1CCCCC1	2063497360	QDNHIHCVWJHCNN-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C(=O)CC12CCC(CC1)C2)C1CCCCC1	2065275561	UPPFNXNNDQRHLX-TUBUQKNSSA-N	248.410	4.742	0	10	BJAE	
C[C@H](N[C@H]1CCC12CCCCC2)C1(C)CCCC1	2067516950	KCNQILKMOICOGZ-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCCC1(C[C@@H](NC)C23CCC(CC2)C3)CCC1	2069336188	WXFBJVSKKTVCTL-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@@H]1C)C1=CCCCCCC1	2071501930	AZSLHJGOQGGSBJ-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(C[C@@]2(N)CCC[C@H](C3CC3)C2)CCC1	2071945168	DGIOUHYFLZKMFL-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
CCOc1ccc(N[C@@H](C)C(C)(C)CC)c(C)c1	2072834015	YKAHIPZTGBMKMI-ZDUSSCGKSA-N	249.398	4.630	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@]23CCC[C@@H]2C3)CC1	2072876388	ZUVQKNUIPKZPJP-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)[C@H]1CCC12CCC2	2074646253	KMPFGFPGNVNDSW-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(CC)c1cccc(C)c1	2074900261	PXEWGRDDJGHXOL-WBVHZDCISA-N	245.410	4.790	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1C[C@H]1c1ccccc1	2079841712	KJFWRUSYGBNLIO-CABCVRRESA-N	244.378	4.576	0	10	BJAE	
CCN[C@@H](C1=C[C@H]2CC[C@H]1C2)C(CC)(CC)CC	2081680253	XSICWLGZPHVZNK-DZKIICNBSA-N	249.442	4.537	0	10	BJAE	
Cc1coc(C)c1C(=O)C[C@H]1CCCC(C)(C)C1	2082984476	BGQGSMCMBMFQOK-CYBMUJFWSA-N	248.366	4.686	0	10	BJAE	
CC[C@@H]1C[C@@H]2CC[C@H](C1)N2[C@@H]1C=CCCCCC1	2084511377	PFZWPOUQENBQFP-WCXIOVBPSA-N	247.426	4.528	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)C[C@H]3CCC[C@H]2C3)CC1	2086163681	GTEXYBWBCOIAHK-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
Cc1csc(C(=O)[C@@H](C)CC(C)(C)C)c1C	2210566024	YIPIXUODFJUGCR-VIFPVBQESA-N	238.396	4.620	0	10	BJAE	
CCCCCCNc1cc(C)c(Cl)cc1F	2210736420	DZDHHQHYOYGHEG-UHFFFAOYSA-N	243.753	4.780	0	10	BJAE	
CC(C)=CCCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213281884	KBTJICYGRPJATM-FICVDOATSA-N	234.383	4.518	0	10	BJAE	
O=Cc1ccccc1SCCCCCC1CC1	2214555036	BGHVXGPMVXDGDU-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@]1(O)CCCCCC1(C)C	2215234774	YCNLDBHSLPZOLF-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCN[C@H](CCCCCCCC2CC2)C1	2216862803	MBARGIXPGMJAIM-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@H]1C[C@H]2CCC[C@H](C2)C1	2218330339	HPSUEYDIQMMTKB-ZHCJQAHYSA-N	249.442	4.514	0	10	BJAE	
C[C@@](N)(CC1CCC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218360557	DDUZCOLMGRKFSY-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)CCCCCCC1CC1	2218733897	YNLRXCPZHFVHAL-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CC=Cc1ccccc1)CCC(C)(C)C	2219069652	GEBJPAGLWSJZBG-INIZCTEOSA-N	245.410	4.504	0	10	BJAE	
CC1(CC(=O)[C@@]2(C)CC=CCC2)CC2(CCC2)C1	2221089296	ZELCMCOYYYBOJW-INIZCTEOSA-N	246.394	4.662	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@H]2CCCC(C)(C)C2)CC1	2221642089	BJNCABFVVOFCQL-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@@]1(CNC2CCC2)CC=CC[C@H]1C	2223598280	SQOZVAADFIGKDZ-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@H]1CCC[C@@H]1C)N2	2224128410	UMWQDDQKVVFTJG-SQWLQELKSA-N	243.394	4.548	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(C)c(C)c(C)c1	2244259716	KVDQZHDEQZEISN-CQSZACIVSA-N	219.372	4.602	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1cc(C(F)F)cs1	2244778926	BNTBLAKHKLLCBW-KCJUWKMLSA-N	248.338	4.545	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cscc1C(F)F	2244802756	QZMCGEAYBKIRTD-GZMMTYOYSA-N	247.354	4.512	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)c2csc(C)c2C)C1	2246372439	XTGHZKREPCGQSO-TVQRCGJNSA-N	248.391	4.540	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)C1(C)CCCCC1	2247174482	GMLPXRUMJODUDY-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CCCC[C@@H]1C[C@H]1C	2247177034	UABPNKGTKWZOHH-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@](C)(CCC)C[C@@H]1CCC1(C)C	2247315647	VMDUGDMOIGPPTA-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCSc1ccccc1N	2248841810	OZNDXBSQVCKUAP-CHWSQXEVSA-N	249.423	4.577	0	10	BJAE	
CCCC(C)(C)CNCCCCC[C@H]1C[C@@H]1C	2248865251	HZWWZXOHSOYBHK-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC[C@@H]1CCCC12CC2	2250358785	AUQMRNPOGMRUIG-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@H](CC[C@H]1CC1(C)C)NCC	2250369686	VXXSSYNLRAOKNE-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)[C@]12CCC[C@H]1CC2)CC(C)(C)C	2251111824	SLNZPAPBESSSJK-WWGRRREGSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H]2Cc3ccccc3N2)C1	2253970702	MINIJXPSUJTPPC-YCPHGPKFSA-N	243.394	4.630	0	10	BJAE	
C[C@@](N)(CC1CCCC1)CC1CC2(CCCC2)C1	2254124186	LFIQCGUWJXCQCL-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1CCC12CCC2	2254956318	AFKRCJOGELIBFF-CABCVRRESA-N	248.410	4.886	0	10	BJAE	
CCN[C@H]1CCC(C)(C)C[C@H]1CC1=CCCCC1	2255137193	NDMXFCJHSCGIQV-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
O=C(CC[C@@H]1CCCC12CC2)C1CCCCCC1	2255316583	ABKWNGFXHCZOBL-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCc1cccc(F)c1N[C@@H]1[C@@H](C)CCC[C@H]1C	2256140455	AMOFKLPQEOYPRY-JYAVWHMHSA-N	249.373	4.625	0	10	BJAE	
CCCc1ccc(CN(C)CC(CC)CC)cc1	2256317753	NSDNNMQKIYBDGV-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
Cc1cccc(F)c1NCCCCC[C@H]1C[C@@H]1C	2257329097	SHEOVRSSAASMFG-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
CCC[C@@H](CC)[C@H](NC)c1ccccc1C(C)C	2259430888	KPOKAWCJMZVYEE-PBHICJAKSA-N	247.426	4.897	0	10	BJAE	
CCN[C@H](CC1(C)CC1)C[C@]12CCCC[C@H]1CC2	2260577681	HDNZZMSNQSASMQ-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC([C@](C)(N)C[C@]23CCCC[C@@H]2CC3)C1	2260680098	VTVAGWSBKZLKPK-KBRIMQKVSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](NC)c1cccc(C2CCCC2)c1	2260723358	MOKKCWRAAHGETM-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
C1=C[C@@H]2CC(Nc3cccc4ccccc34)C[C@@H]1C2	2270230759	HOGUWTUUQWXEGV-KBPBESRZSA-N	249.357	4.606	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1CC)C[C@H](C)CC	2298128416	FHSRNLPDGZCWQL-QXSJWSMHSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@H](C)CC1CC1	2298916017	LGTGHLAIDZOMTB-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@H](C)C1CCCCC1	2300680492	FBTAXVPYSWUBDM-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CC(=CC[C@@H](N)[C@@H](C)C(C)C)CCCC(C)C	2300874863	OVVPZNIIAOAHHS-JKSUJKDBSA-N	239.447	4.769	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@H]1CC[C@H](C)CC1	2300906895	MWOCMEHMPCNPAU-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCC(=O)[C@H]1CCC[C@@H](CC)CC1	2300907554	UMJWJETXRNGTOY-CABCVRRESA-N	236.399	4.908	0	10	BJAE	
CCC1(C)CC([C@H](N)CC2CCCCCC2)C1	2301243122	ZBZZVKLLUFYJRO-HWOWSKLDSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NC[C@](C)(CC)[C@H](C)[C@@H](C)C(C)C	2301825951	PIWHOOORLZCEJN-JONQDZQNSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@](C)(N)CC1CCCCC1	2301845144	WEVGNYZPFDXFCZ-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](C)CC(C)(C)C[C@H]1CCC(C)(C)C1	2302750760	LQNFUZXWLBWVRK-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303466723	YTVBWBHFOKYBIF-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)CCCC(F)F)C1	2304426016	QWDPGDHQUILDLY-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CN)CCCC(C)(C)C1	2307823820	PRQCSEWFIMPWOZ-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
C(CCCN[C@H]1C[C@@H]2CC[C@H]1C2)CCCC1CC1	2312601205	UIQYHJFEDYRWPN-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@H]1C[C@@H]2CC[C@H]1C2	2312899065	IIVCULOTYVZEHI-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313162075	MRIUWMCLXSNMCB-IVSAIRAKSA-N	246.394	4.518	0	10	BJAE	
CCCC1([C@@H](C[C@@]23CCCC[C@@H]2CC3)NC)CC1	2313349508	YVDCRFKEFPHXOG-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)C1(CNC(C)(C)C)CC=CC1	2313582326	YKRYPNVEDUTYFO-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc([C@](C)(O)CCC(CC)CC)cc1	2316234539	AKUOZWQWCKLFAH-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CC(=CCC(=O)[C@@]12CCC[C@H]1C2)CCCC(C)C	2316511791	WNPJJIGXFKVENJ-DOTOQJQBSA-N	248.410	4.908	0	10	BJAE	
O=C1[C@H](CC2CCCCCC2)C[C@H]2CCCC[C@@H]12	2317007410	NJCXAOSGKLGVCW-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C[C@H]1C=CCC1	2317903962	JVMFCZABVQJLHC-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCCC[C@@H]3C[C@H]32)cc1	2319346912	BBWVUGAEDHXUMM-DJIMGWMZSA-N	243.394	4.801	0	10	BJAE	
CCC1(NCC[C@H]2CC[C@H]2C2CC2)CCCCC1	2319749435	NGBNFTAKYJQROZ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(NC[C@@H]2CCC(C)=C(C)C2)c1	2320410750	GOOKOXLKFLVLJC-MRXNPFEDSA-N	243.394	4.797	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H](CC1CC1)C1CC1	2320514046	LOQDNEAMEAJERW-GUYCJALGSA-N	249.442	4.514	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@H]3CCCC3(C)C)(C1)C2	2321578165	MWEGPEXQZNMWCC-NVPAJSRCSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccncc1C(C)C	2328212120	DURVWQQTOBODEE-CYBMUJFWSA-N	247.382	4.604	0	10	BJAE	
Cc1cccc(NCc2c(C)cc(C)cc2C)c1	20017847	ZYVYIJMTZKLILX-UHFFFAOYSA-N	239.362	4.532	0	10	BJAE	
CCC1CCC(Nc2cc(C)cc(C)c2)CC1	21500202	RFOKAXLOWKUBJM-UHFFFAOYSA-N	231.383	4.684	0	10	BJAE	
C[C@H]1CCC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1	35044452	LLXUXEQIAXPJKY-ZOFXXKQRSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)CN[C@@H](C)c1ccc(CC(C)C)cc1	36954604	CIYJCKURORQCFK-CABCVRRESA-N	247.426	4.582	0	10	BJAE	
CC[C@H](C)C(=O)c1ccc(C2CCCCC2)cc1	37358531	PBBFSWPBRIIORB-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CCC[C@@H](NC1CCCCC1)c1cccs1	49541236	YZVULQGGNKEGLK-CYBMUJFWSA-N	237.412	4.512	0	10	BJAE	
CCCCCC(=O)C[C@H](CC)CCCC	59751735	SSQGISLAUOHTCP-CYBMUJFWSA-N	212.377	4.742	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1ccc2ccccc2c1	68848291	FJTGMQHRVAUEPS-MRXNPFEDSA-N	241.378	4.537	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2ccc(Cl)c(Cl)c2)C1	70748107	FYBSCMZCRZSUDL-RKDXNWHRSA-N	244.165	4.594	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCCC(C)(C)C1	79978842	WXHUNLYJRPPDTC-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
Cc1ccc(Nc2ccccc2F)cc1Cl	82715735	NSEAEPWDLOMFQH-UHFFFAOYSA-N	235.689	4.531	0	10	BJAE	
CC[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1	83501867	ZPCWEBHLPMGBPI-LLVKDONJSA-N	249.354	4.547	0	10	BJAE	
CSc1cccc(NC2C[C@@H](C)C[C@@H](C)C2)c1	84461859	RNMIIFBKQRNXFT-ONXXMXGDSA-N	249.423	4.645	0	10	BJAE	
CCCN[C@H](CC)c1cc2c(C)cc(C)cc2o1	88074001	XVIBDLQOQUNTGG-CQSZACIVSA-N	245.366	4.500	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@@H](C2CCCCC2)C1	93123335	WTESENCRVXVJBU-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)C(C)(C)CC)cc1	104007466	KOVGXPBAJHGHBX-WFASDCNBSA-N	233.399	4.636	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCC1CCC(C)CC1	109963485	COHRQZZEURISRU-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(F)c(C)c1	110169276	CIYMVQMECOQAOV-ZDUSSCGKSA-N	237.362	4.762	0	10	BJAE	
CCC[C@H](CC)Nc1ccc2ccccc2c1	110385203	VYYNUZGVMOICHR-HNNXBMFYSA-N	227.351	4.830	0	10	BJAE	
CCCN[C@@H](c1coc2ccccc12)[C@H](C)CC	123070332	AFGCZCOBSIEBPR-MLGOLLRUSA-N	245.366	4.520	0	10	BJAE	
CCCCCC[C@@H](NC)c1cc(C)c(C)s1	124797143	HEXKKPKSUNQVAT-CYBMUJFWSA-N	239.428	4.596	0	10	BJAE	
C/C=C/CCN[C@H](C)c1cc2ccccc2s1	126683398	KDPLZMPRVIICIG-AAOUONPWSA-N	245.391	4.518	0	10	BJAE	
CCCN[C@@H](C(CCC)CCC)[C@H](C)CC	132849732	YFBRZESQYRKTJX-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](c1cccc2ccsc12)[C@H](C)CC	163271101	ZHPICGILKNFSGM-RISCZKNCSA-N	247.407	4.598	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCC[C@@H](C)C1)CC(C)(C)C	166250633	ZBLWDTOVSFJIAC-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CCCC(CCC)C(=O)[C@@H]1CCC[C@H](C)C1	168498466	DXWDUGZGDFNANQ-GXTWGEPZSA-N	224.388	4.598	0	10	BJAE	
CCCCCC(O)(C1CCCC1)C1CCCC1	197472226	DXYBOOUVKIQVIX-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(C2CC2)CCCCCN1	218185249	OEEITMUJEJTREO-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](C)NCCCC2CCCC2)cc1	225087190	XKHKAEGGIACDPS-OAHLLOKOSA-N	245.410	4.616	0	10	BJAE	
C[C@@H]1CCCc2[nH]c([C@H]3CCCCC3(C)C)nc21	226774069	ZRMGXTYUOIFIML-VXGBXAGGSA-N	246.398	4.533	0	10	BJAE	
CCN[C@H](CCCC(C)C)CCC1CCCC1	229175185	YEIJZWWQAMJEQM-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CCCC(C)C)c1cc(C)ccc1C	229179748	LIQICJSSHNGVSW-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CC(C)CCC[C@@H](N)c1ccc(C(C)(C)C)cc1	229180385	UPEYQTMXDBNPAZ-MRXNPFEDSA-N	247.426	4.810	0	10	BJAE	
CCC(CC)CC(=O)c1cc2ccccc2s1	229449114	AIEQXRTZZBUDSX-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@@H](C(C)C)C2)c(F)c1	230987592	RFZBRLXKSUUWKP-KGLIPLIRSA-N	249.373	4.761	0	10	BJAE	
CC(C)[C@@H](C)[C@@H]1CNc2ccc(C(C)(C)C)cc21	232853690	ARJSOLSFMVJFRU-DOMZBBRYSA-N	245.410	4.785	0	10	BJAE	
CCCN[C@@H]([C@H]1CCCCC1(C)C)[C@H](C)CC	300287518	YKHQCNRZXUBUTQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC1CCCC1)[C@@H](C)CNC(C)(C)C	302238342	BRQFDGQMNGGOFM-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](CCCC(C)(C)C)CNC(C)(C)C	302329336	SAZFPFIBTNTPPC-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@H](CCC(C)C)C1CC1	306037751	MOZLNVWEMLGRST-GDBMZVCRSA-N	239.447	4.616	0	10	BJAE	
CCOc1csc2ccc(Cl)c(Cl)c12	307532652	ZMCZJGQFMGROLJ-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCCCC[C@@H](C)NCC(C)(C)C1=CCCC1	308759700	UNHUWTBDGJGJOX-CQSZACIVSA-N	237.431	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C1(N)CCCCCCC1	310210411	GIBXVOHRGHZNGI-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CC(C)CNCCCCC1CCC(C)(C)CC1	310528834	PKWMKKKPHKUIMY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1CCC[C@H](CC(=O)C(C)(C)C(C)(C)C)C1	310582926	SABBCXRRJXRPOT-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CC(C)CCCN[C@H]1CCCC12CCCCC2	313115232	OQFQTOQFLCXYGW-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](Nc1ccc(F)cc1C)C1CCCC1	313418072	WTEFVROYXAZOMH-INIZCTEOSA-N	249.373	4.905	0	10	BJAE	
CCNC[C@]1(CCCC(C)C)CCC[C@@H](C)C1	317269397	NJYYFZBBHOQFNR-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC(C)C)CC=CCC1	317618387	TZXIKIWUWIWHFG-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@]1(CNC1CC1)C1CCCCCC1	318258032	BYGRJVZUVWYQOD-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)NCC[C@H](C)CCC=C(C)C	381548915	LSMWDRXMHYIGNZ-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
CC(C)CCCCCN[C@@H](C)c1ccsc1	383201039	ZANFCNSRUQNJPE-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CC1CCC(C)CC1	383896921	MYPZPFBFRBQLJD-SSHXOBKSSA-N	240.431	4.780	0	10	BJAE	
Cc1c(C(=O)CCC(C)C)ccc2ccccc12	384452523	HITPLWQCLGAUQE-UHFFFAOYSA-N	240.346	4.767	0	10	BJAE	
C[C@H](COc1cccc(Cl)c1)c1ccccc1	384997823	VQSZNHZABQGQJO-GFCCVEGCSA-N	246.737	4.523	0	10	BJAE	
CC[C@H](Nc1cccc(F)c1C)C1CCCC1	387646364	YUBSDNIMWSOHOT-AWEZNQCLSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@](C)(O)c1ccc2ccccc2c1C	394538695	REGMNYNABKSXFT-KRWDZBQOSA-N	242.362	4.546	0	10	BJAE	
C1CCC(CCCN[C@H]2CC23CCCCC3)CC1	395271926	SUJSAEFXUUPLKN-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCc1sc(-c2ccccc2)nc1C(C)(C)C	395292657	OPTKRYSNZMDEQW-UHFFFAOYSA-N	245.391	4.670	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)CCC(C)(C)C	395354942	KFAOCIWCCILMAT-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCOc1sc2cc(CC)ccc2c1Cl	396194701	VBIKDRLXZHFZLY-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CSc1cc2sccc2c(C(F)F)c1F	396236696	IMXBBORVUUUJOK-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
C[C@@H](C(=O)c1ccccc1C1CCC1)C(C)(C)C	399161898	CITGHAOUTIHEPS-LBPRGKRZSA-N	244.378	4.819	0	10	BJAE	
CN[C@H](C[C@H]1CC=CCC1)[C@H]1CCCCC1(C)C	402372203	SVEJKXQDPSNUJQ-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C1CCCCC1	405716413	GIUFOYWKQNICNE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CCC(C)(C)C2CC2)C1	406072742	OXYDFPJXHFUAGS-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@H](O)C[C@H](C)c2ccccc2)CCC1	686920326	AWLAJXKEZGTYRB-GOEBONIOSA-N	246.394	4.512	0	10	BJAE	
Cc1c(Cl)cc(NC2CCCC2)cc1Cl	690296943	ZNNMWUQHOZHNKA-UHFFFAOYSA-N	244.165	4.656	0	10	BJAE	
C[C@H]1CCC[C@@H](C)[C@@H]1N[C@@H]1CCC12CCCCC2	693806177	PMLHUKQLJYNEBM-QXSJWSMHSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC(C)(C)CC(F)F)NCCC	694009900	XLHHETOOXYMOFE-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	696548003	XWXHDJXDWCCJSG-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H](C[C@@H](C)C(C)(C)C)NC	696549699	IDDNEDADHGBEHF-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1ccc(C(C)(C)C)cc1	701078903	NOCGIKRGSZAFPF-OAHLLOKOSA-N	248.410	4.844	0	10	BJAE	
CCC(C)(CC)C(=O)C(C1CCC1)C1CCC1	701275530	MGYCSGMNQDCFSR-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)C[C@@H](C)c2ccccc21	704518079	YBQDCXROLQMPKK-CXAGYDPISA-N	245.410	4.564	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@@H](C)CC(C)(C)C)c1	704566656	CFSUXWKLSRMAPT-XJKSGUPXSA-N	248.410	4.916	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(N)c1ccsc1	704852039	PRNBJHFCBRVZAJ-JSGCOSHPSA-N	239.428	4.529	0	10	BJAE	
CC(C)=CCCc1csc(C(F)(F)F)c1	705527002	VCZBOZWBDKGNPW-UHFFFAOYSA-N	234.286	4.666	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(CN)CCC[C@@H](C)C1	709075591	DJUMSYAHDLZXFB-YCPHGPKFSA-N	239.447	4.604	0	10	BJAE	
CN[C@@H](CCC1CCCC1)C12CCC(CC1)CC2	710046340	HJUFNLKNVMKYCS-CGZBRXJRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CCC1)C12CCC(CC1)CC2	710187153	FNDNPGKUBYPBCA-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(N)(C[C@H](C)C(C)(C)C)CC1	710753420	MRUCDFXFDXJCNI-HLIUYOAVSA-N	239.447	4.747	0	10	BJAE	
C(CN[C@@H]1CCC[C@@H]2CCCC[C@H]21)CC1CCC1	714312233	WLBVVPADCGBARW-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(OCC[C@H]2C[C@H]2C2CC2)cc1	714778059	HVMDXUUDHGTJRJ-RDJZCZTQSA-N	244.378	4.625	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@@H]1CCC[C@@H]1C	718540298	PCEKOENPPCCGAO-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1[C@H]2CCCC[C@H]12	718637293	ZPNJGBBEKDNTOJ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccccc1C1CCC1	721693106	UTRHCISPRVUWGO-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)C[C@@H]2CC2(C)C)cc1	722857236	IWBSOKWMDWSJGE-CQSZACIVSA-N	244.378	4.603	0	10	BJAE	
CC(C)CCC[C@]1(N)CC[C@H]2CCCC[C@@H]2C1	723616685	XQWKPTIIHJADAF-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCc1c(C)c(Cl)cc(C)c1O	1900868171	FWEUJDLWXISWNW-UHFFFAOYSA-N	238.758	4.561	0	10	BJAE	
CCCN[C@H](CC)CCC[C@H](CC)CCC	1905446159	TUCQSAKCAGJVBQ-HUUCEWRRSA-N	227.436	4.761	0	10	BJAE	
CCCC1([C@H](N)C[C@H]2CC[C@H](C)CC2)CCC1	1909703460	PDKIRSKHVSJBIP-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCC2(CCCC2)C1	1916417209	IPMATVAZXJZRLR-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
C1CCCC(N[C@@H]2CCC3(CCCC3)C2)CCC1	1916429194	CQWPBORAYYYKRY-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CCCCCC[C@@](C)(O)CC(CC)CC	1919964703	RLJJCXOAYGHJLX-CQSZACIVSA-N	214.393	4.534	0	10	BJAE	
CCCc1ccccc1[C@@](O)(CC)C[C@@H](C)CC	1920000604	SOVUTNHAJDGCQD-WMLDXEAASA-N	248.410	4.673	0	10	BJAE	
NC1(CCCF)CCCCCCCCCCC1	1920488414	FFDKLVPYWZSDAZ-UHFFFAOYSA-N	243.410	4.738	0	10	BJAE	
C[C@H](C[C@@H](O)[C@@H](C)C1CCCC1)CC(C)(C)C	1923890796	UXAYVQCHAMCWAG-VNHYZAJKSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)[C@H](C)C1CCCC1	1924114560	AIKIUABJGWCHOL-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)C[C@H]1C=CCCCC1	1925915670	QQYJOYSSGUSAEL-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCNCc1cc(C)c(C)cc1C	1926175775	LTQDERMXNBYUQU-UHFFFAOYSA-N	247.426	4.528	0	10	BJAE	
c1cc(NC2CC(C3CCCCC3)C2)cs1	1938304687	LSODNKRBZCBQIQ-UHFFFAOYSA-N	235.396	4.519	0	10	BJAE	
CN[C@H](CCCCCC1CC1)CC1CCCC1	1941583825	JEIAOOUMQANGMU-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CCCCCC2CC2)C1	1941587302	QXTSIWZFBIVWGJ-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)CC1CCC=CCC1	1941819129	SAMFEHQSWHUXTN-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCCC(C)C)C1(C)CC(C)C1	1941983168	CWJVHFRYIZHUHL-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)c2sccc2C2CC2)C1	1942502050	RYKJAKBAINSILG-JQWIXIFHSA-N	248.391	4.635	0	10	BJAE	
C=CC=CCC[C@H](NCCC)c1ccsc1C	1944449708	GYUBRKBHNWIMEJ-HNNXBMFYSA-N	249.423	4.620	0	10	BJAE	
CCN[C@@H](CC(C)(C)C(C)C)C(C)(C)C(C)C	1944667935	IDYJNJJHDBYFMC-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CCCC1(NC[C@@H]2CCCC[C@@H]2CC)CCC1	1945277431	UCTYVYBLLHPZAX-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Clc1ccc2[nH]c3c(c2c1)[C@@H]1CCCC[C@@H]1C3	1946274147	HVTKEGSZELMGCP-MWLCHTKSSA-N	245.753	4.651	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CCCC2(C)CC2)CC1	1949055145	PNECOYIWNOICLH-GDBMZVCRSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc2c(ccn2[C@@H]2CCC(C)(C)C2)c1	1949492245	BBVXACHRSOJGGG-CQSZACIVSA-N	227.351	4.701	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC1CC(C)(C)C1	1949734031	NHVZWLWGZUBWQV-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@H](CC1CC(C)(C)C1)NCC	1949735903	IQLYBAHKONMHQG-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H]([C@H]1CCC[C@H](C)CC1)C(C)(C)CC	1950921378	FEIQYMLLDWZEMT-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC(C)(C)C(C)C)C1(CC)CCC1	1951239272	QAFOKZACKLFFJG-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC=C[C@@H](C)Cc1cc(C)cc(C)c1OCC	1951308372	FSINOHPAQKFOFQ-CYBMUJFWSA-N	246.394	4.847	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NC[C@@]2(C)C=CCCC2)C1	1966038873	YUIDRMLZQNIVFC-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1N[C@@H]1CCCC2(CCCCC2)C1	1969339320	FQTGFELFFMGAJP-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN2CCC23CCCCC3)C1	1969769284	FQIPOVOZGWYHLY-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
C[C@H](Nc1ccc(CCF)cc1)C1CCCCC1	1970092357	GKOCBAPEJTWFHO-ZDUSSCGKSA-N	249.373	4.579	0	10	BJAE	
CC[C@@H](C)CCN(C)C[C@H](C)C1CCCCC1	1970737645	OVFGZARTEMUNSP-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
C[C@H]1CC[C@@H](CNc2ccc(C3(C)CC3)cc2)C1	1973403367	IETOABFBMFYXOS-UONOGXRCSA-N	243.394	4.586	0	10	BJAE	
CCCC(C)(C)C(=O)[C@@H]1CCCC[C@@H]1CC	1976007169	DXYQTXZXAMXMNP-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@](C)(CCCC(C)(C)C)CNC	1978630409	DFTHCRJPEQKERD-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCC(CC)CNc1cc(Cl)c(F)cc1C	1995046799	BFDHNBRZJHEIMJ-UHFFFAOYSA-N	243.753	4.636	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC(C)(C)CC	1995261304	CXHMJGVORYNAGE-KBPBESRZSA-N	228.420	4.780	0	10	BJAE	
CC[C@@](O)(CCCC(C)(F)F)C1CCCCC1	1996547817	PEFFFCVRNBBHLB-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CC(C)CCC[C@](C)(N)C1CCC(C)(C)CC1	1996595463	VYIPRTREDPLBBU-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc(OC[C@H]2CCC=CCCC2)cc1	1999985381	IZJBFUYTWPYRNZ-HNNXBMFYSA-N	230.351	4.510	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)([C@H]2CCCC(C)(C)C2)C1	2000022624	BITNVGQHGNAPGV-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000143621	PHXSZUDFLZAUMT-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@](C)(CCCCCC(C)C)C(=O)O	2000499048	GSNZJWHJMXFALG-OAHLLOKOSA-N	242.403	4.874	0	10	BJAE	
CC(C)(C)C[C@]1(O)CCCCC12CCCCC2	2001602497	JXMOXWBJCYYBFJ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
Cc1c(Cl)cccc1NC[C@]1(C)CC=CCC1	2001702453	YRVUJKQJWDNYOG-OAHLLOKOSA-N	249.785	4.807	0	10	BJAE	
CCCN[C@H]1[C@@H](CCCC(C)(C)C)CC[C@H]1C	2002881429	BAAPZQFRRFCWNH-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)CCC2CCCC2)C1	2003012576	APVQYKFNATYONA-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC1(CCC[C@H]2CCCCCCCC2=O)CC1	2003072735	CPIFXZTWHNWCEY-CQSZACIVSA-N	236.399	4.886	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCCCC[C@@H]1N	2003097645	HLOVHZMOCVMRCA-XHSDSOJGSA-N	239.447	4.891	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H]2CCCCCCC2=O)C1	2003116546	JJKUQJQSHURZOW-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@H]1CCCC2(CC2)C1	2003198347	QPVLRFGIWWXVFC-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(CC)[C@H](O)CC1CCC2(CC1)CC2	2003209548	XLVMTTLQHPRKMP-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCCC)C(C)(C)F	2003241088	SHYBPLSNCXKZGI-KBPBESRZSA-N	245.426	4.709	0	10	BJAE	
CC(C)=C(C)CCC[C@H](O)c1ccc(C)cc1	2003625668	GRCGCUTVXIUMQB-INIZCTEOSA-N	232.367	4.555	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CCC=CCCC2)CC1=O	2006933073	OIIPPVRHZHMMGS-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCC1(C)CC(NCCC2(C)CCCCC2)C1	2009298212	GNQITZYCCYVVSB-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@@H](NCC)C(C(C)C)C(C)C	2009597558	FFJPZVBZMKWGPE-OAHLLOKOSA-N	239.447	4.639	0	10	BJAE	
C/C=C/CCC[C@H]1CCC[C@@H]1CNC(C)(C)C	2009612048	QMCNLVXFZFYCOA-ICWYTKJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C12CCCC1CCC2	2012119058	CJTKIDFPTNTKNG-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CCCC1([C@@H](N)[C@@H]2CCC[C@H](CC)C2)CCC1	2015593666	FCOHDSVXNDOEPJ-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H](C)C(C)(C)C)CCC1	2015640440	RXVUPOIPILQQGO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CNc1ccc(C(C)C)cc1)C(C)C	2016106755	PZYYUOMIZKKNBE-CQSZACIVSA-N	233.399	4.904	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC1(C(C)(C)C)CCC1	2017114193	JJEDUVVEKMPZAN-HNNXBMFYSA-N	240.431	4.780	0	10	BJAE	
CC1(CCC[C@@H](N)C2(C(C)(C)C)CCC2)CC1	2017131634	SKVAXKDQKFRXAV-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H]2CCCC[C@@H](O)C2)CC1	2017714108	DKAWWOZUAMXGEU-YHUYYLMFSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)CCC(F)F)CC1	2017773997	IXGGRWJNQBWGJX-HAQNSBGRSA-N	246.341	4.597	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@]12CCCC[C@H]1C2	2018575591	UCUHWURUELNMOZ-ARFHVFGLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)N(C)[C@@H]1CCCCC12CCCCC2	2019306939	DSQKDQPMDLMHLO-HUUCEWRRSA-N	237.431	4.610	0	10	BJAE	
CN(CCCCCF)C1CCCCCCCC1	2019320316	ZARILHBNPUSSEC-UHFFFAOYSA-N	243.410	4.561	0	10	BJAE	
CCN[C@H]1[C@@H](CC(C)(C)CC)CCCC1(C)C	2020349005	QOQAZTQGBFIXDH-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCN(CCCC(C)(C)C)C1CCCC1	2020537103	IRRHAKFSBIWJGV-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)CC1CC(CC)C1	2026169550	JEBNMTBZMVAMDV-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
CN(C1CCCCCC1)[C@@H]1CCCC[C@H]1C1CC1	2026966709	NHBJWWXQWAHLKN-DLBZAZTESA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1(C2CCCCC2)CC1	2027372585	FYGIXOGHZRDDQX-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@](C)(F)c1cccc(N)c1	2027938793	FYDSTQLNFDNZQJ-DAXOMENPSA-N	249.373	4.670	0	10	BJAE	
C[C@H](C[C@@H](C)C1CCCCC1)c1cccc(N)c1	2027952537	CTYJPBOSFXTFRV-ZIAGYGMSSA-N	245.410	4.979	0	10	BJAE	
CCN[C@H](c1ccc(C)cc1C)[C@H](CC)C(C)C	2028253606	YIUPOXQXYYQZDI-WBVHZDCISA-N	247.426	4.636	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NC)c1cc(C)ccc1C	2028267269	ZAQKDIAPJDXXKZ-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CCN[C@@H](CCC(C)C)c1cccc(C2CC2)c1	2028548146	ASIFURCMHODHHA-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)c1ccccc1C1CC1	2028602267	HHFNWDRPDYPZLG-RHSMWYFYSA-N	245.410	4.636	0	10	BJAE	
CN[C@H](CCCCCC1CC1)c1cccc(C)c1	2028638200	XUZFOTWXQGFDBC-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)c1ccccc1C1CCC1	2029076047	WTIDZACMEFZGIR-OGHNNQOOSA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@@]23CCCC[C@H]2CCC3)C1	2031852834	SIAXCDIYPKNGDX-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cccc(C3(C)CC3)c2)C1	2032244725	FGECZEUPZHTDDC-BBRMVZONSA-N	243.394	4.729	0	10	BJAE	
CC(C)C1(CNc2ccccc2C2(C)CC2)CC1	2032246380	PTENJEWOKGEFLB-UHFFFAOYSA-N	243.394	4.586	0	10	BJAE	
CCC1CCC(C(=O)CC2[C@H]3CCCC[C@H]23)CC1	2032779330	WOKPAFNINVCLCE-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCC12CCC(CC1)C2	2033452498	CCFRCQSVIFLABA-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC)CCC(C)(C)c1ccccc1	2035346762	JZBXBKNNYKDJNT-INIZCTEOSA-N	247.426	4.523	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C1CC(C)(CC)C1	2036486340	CFYHYTCNDACHKG-CGZBRXJRSA-N	249.442	4.703	0	10	BJAE	
CCC1(CC)CCCN(C[C@H]2C=CCCCC2)C1	2036780461	OVIJJGQTAGPVCG-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C1=CCCCCCC1	2037073797	PJVPSZIQOWVCQF-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(CC(C2CC2)C2CC2)CC1	2037189490	RHWQITFJUQXHGF-DYVFJYSZSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)c1ccc(C(C)(C)C)cc1	2037216064	YVXZNXSZTYJODG-KRWDZBQOSA-N	247.426	4.594	0	10	BJAE	
C[C@H]1CNc2ccccc2[C@@H]1CC1(C)CCCC1	2037225632	WNDRRHQYJCJFIC-DZGCQCFKSA-N	243.394	4.802	0	10	BJAE	
CC[C@H]1CCCCN([C@@H]2CCC3(CCCC3)C2)C1	2037674847	IFJLVGRMJAWWMQ-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CN[C@H](CCC1(C)CC1)[C@H]1CCC2(CCCC2)C1	2037689141	DAJOFSUAEFEVLD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)CC2CC3(CCC3)C2)CCCCCC1	2038087040	CPDMHVZZZYMYBI-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CC1CC(CCN[C@H]2CCCC23CCCCC3)C1	2038092253	NKRVEJMBFKFELF-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@]2(CN)CC23CCCCC3)CCCCC1	2039008409	HGBDFXCBKXHGQQ-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
Cc1cc([C@@H](N)[C@H]2CCCC(C)(C)CC2)c(C)o1	2039358128	ZCCPSJXFQFXKSQ-ZFWWWQNUSA-N	249.398	4.503	0	10	BJAE	
Cc1ccc2nc([C@H]3CCC[C@@H](C)CC3)[nH]c2c1	2039377679	RRFZCRSYPQDYIE-YPMHNXCESA-N	242.366	4.555	0	10	BJAE	
CC1(CCN[C@H]2CCCC3(CCC3)C2)CCCC1	2041290247	PDTCZHAMINOHJZ-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NCC1CCC=CCC1	2041841512	JQUYXAOZHQOUDQ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCCCN1C[C@H]1CCC=CCCC1	2045315308	SHXKYBBWTBNLRX-IRXDYDNUSA-N	249.442	4.778	0	10	BJAE	
Cc1c(F)cccc1NC[C@@H]1CCC=CCCC1	2045329470	OIMBGLQXAZYPDH-CQSZACIVSA-N	247.357	4.683	0	10	BJAE	
C[C@@H]1CCCCC[C@@]1(N)C[C@@H]1CC12CCCCC2	2047060864	AUOCGUAQMNRYDF-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCCC1CCC1)c1cccc(C)c1	2050461173	RAUDRHYPJCVWJT-QGZVFWFLSA-N	245.410	4.616	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CCCCC23CCC3)CCC1	2053358823	LTWUHLOWIANCFW-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CCN[C@H](C1CC=CC1)[C@H]1CCC[C@H](CC)CC1	2053667938	RYKLXAJOHKVESO-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2C=CCC[C@@H]2C)CC1	2055570527	YPQSGYIHYMKHHW-YVSFHVDLSA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H]1CCC(C)(C)C1	2056884698	WWQUOHCFVRSYED-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2C[C@H]3CC[C@H]2C3)CC1	2058991525	KNTPIVMCNJZZGN-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](N)[C@H](C[C@@H]2C=CCCCC2)CC1	2059004266	VXSVZOSHPQQPJJ-PMPSAXMXSA-N	249.442	4.667	0	10	BJAE	
CC=CCCC[C@H]1CCCc2ccccc2C1=O	2059202875	DNNNBJAYJHKIRB-HNNXBMFYSA-N	242.362	4.568	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)[C@H]1CC[C@@H](C)C1	2061087829	ILSOXGOVUJGPCY-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C2=CCC(C)(C)CC2)CC1	2061094488	GQPXTQCZARKCFE-IIAWOOMASA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@](N)(CC[C@]23CCC[C@@H]2C3)CC1	2061614251	DCZZUFJYIFUPAQ-HYVNUMGLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCN[C@@H]1CCCC12CCCCC2	2062609845	XAGCTFLOEXFWQA-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C)c(OCC2C[C@H]3CCC[C@@H]3C2)c1	2063532860	ZGPSVNQMRNSUCO-HZPDHXFCSA-N	244.378	4.509	0	10	BJAE	
OC(C1=CCCCC1)(C1CCCC1)C1CCCC1	2065924042	KJGRFAFHYOHQNB-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](C1CCCC1)N(C)CC1CCC=CCC1	2065941932	FKSBISPYWPRVAO-QGZVFWFLSA-N	249.442	4.633	0	10	BJAE	
C[C@@H](C(=O)C[C@@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCC1	2068698347	JIKVILYLJZBQMM-LUYZLQTOSA-N	248.410	4.598	0	10	BJAE	
O=C(C[C@H]1CCC=CCCC1)[C@H]1C[C@@H]2CC[C@@H]2C1	2068721609	BBFMCDDUPGLRHY-JONQDZQNSA-N	246.394	4.518	0	10	BJAE	
CC[C@](N)(CC1C[C@@H]2CC[C@H]2C1)C1CCCCC1	2068762795	CECGSPMSAYJNTG-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC[C@H]1CC12CCC2)CC1CCCCC1	2069183418	SLUMRJUZWYOAOS-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CC(=O)C[C@@H]2CCC[C@@H]3C[C@H]23)CCC1	2069282079	GEMKIPGXGZOEEC-SQWLQELKSA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@@H]2CCC23CCC3)CCC1	2069338011	RNSBSROEXHSLCQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@H]2CCN[C@@H]3CCCC[C@H]23)CCC1	2069345621	WWXYEBKIOOOLLN-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2070310368	SKJJEAPPRVYPMO-YVSFHVDLSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](NC1CCC(C(C)(C)C)CC1)C1CC=CC1	2070822481	WSRIPJSMGCVXPV-IUDNXUCKSA-N	249.442	4.536	0	10	BJAE	
CC(C)C1(CC(=O)C2C[C@H]3CCC[C@@H]3C2)CCC1	2071920780	ADELTBBAXSOYPH-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@H](N)CC2(C(C)C)CCC2)C1	2071937789	FQGCXAJGOJKLBO-NUEKZKHPSA-N	249.442	4.523	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCCCCC23CC3)CCC1	2071952934	HUXZKNWEJTVZHA-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)C2[C@@H]3CCC[C@@H]23)CC1	2072879318	STFNQHVWHFQTDX-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccc(C)c(O)c1C	2073346491	NITJAITYRQNBGJ-CQSZACIVSA-N	249.398	4.780	0	10	BJAE	
N[C@H](CCCC1CCC1)[C@@H]1C[C@H]1C1CCCCC1	2079436130	SNYSYNJXPFPIBG-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)C1(C)CCCC1	2079533350	WHBBUUVGCKUYJP-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CNc1ccc(C2CC2)cc1	2079612445	FRJAORIQIDWRAA-GOEBONIOSA-N	243.394	4.658	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1CC(=O)[C@H]1CCCCC12CC2	2079840961	FYSHSYHWYIPJBC-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)C[C@H]1C[C@H]1C1CCCCC1	2079843398	QYTWMDLYESIZBY-DZKIICNBSA-N	248.410	4.598	0	10	BJAE	
CCN(C[C@@H]1C[C@@H]1C(C)(C)C)c1cccc(C)c1	2080082189	IVXUKEFSAKGQTP-HOCLYGCPSA-N	245.410	4.504	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@H]1CC2CCC1CC2	2081796333	SCBAKWBOSBTSDP-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)C2(C3CCC3)CC2)C1	2082981091	AQXRVALFVXHZCA-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)[C@@H]2CC23CC3)CC(C)(C)C1	2082984031	XPQTXCFPXRHQHT-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@@H]2CC3CCC2CC3)C1	2083014258	LVISJMWQTFYZGH-PFSRBDOWSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C=C2CCCNC23CCCCC3)CC1	2083817079	DHGMCHSOMPXLTJ-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCC1CC(C[C@H](CC2CCC=CCC2)NC)C1	2084998237	OIKVQAQAIOVNRF-PREGVCBESA-N	249.442	4.537	0	10	BJAE	
O=C(c1ccc2ccccc2c1)C1CC(=C2CC2)C1	2125738535	MEBQRPIJDSCOMR-UHFFFAOYSA-N	248.325	4.523	0	10	BJAE	
Cc1cc(C(=O)CCC(C)C)cc(C)c1Cl	2210142379	NPCGSOLMVDDFIT-UHFFFAOYSA-N	238.758	4.576	0	10	BJAE	
C[C@H]1CC[C@H](CC/C=C/c2ccccc2)C1	2210663076	XGXRKZNWLFCTHD-QVDQZQSHSA-N	214.352	4.916	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCCCC1CC1	2211113400	SYLCZIGEVWNNFR-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCn1c(C)cc2cc(Cl)ccc21	2211381395	YSHTVWIMGMILSU-UHFFFAOYSA-N	233.742	4.569	0	10	BJAE	
CC(C)CC[C@](C)(O)CCCCCCC1CC1	2213580701	NREWHUYFAWKGDV-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](O)(CCCCC2CC2)C1	2214562808	LDXNUCWCNJDMSC-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)CNC[C@H]1CC=C(C)CC1	2215808855	GUKWJTFJOFRYDO-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCCC(CCC)[C@@H](O)c1c(C)cccc1C	2216048324	JLHBQSAJFNZAGS-MRXNPFEDSA-N	234.383	4.553	0	10	BJAE	
CCN[C@H](CCCCC(F)F)CC(CC)CC	2216423128	AKJLESGATCHOAA-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)NC[C@H](CCC(C)(C)CC)C1CC1	2217152486	FFYLAAQMKMRLOR-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218339599	LRBNGINHDIVCGU-LVQVYYBASA-N	246.394	4.518	0	10	BJAE	
CC=CCCC[C@@H](NC)C1C[C@H]2CCC[C@H](C1)C2	2218345285	DCLIHYGXTMFJJA-YQQAZPJKSA-N	249.442	4.537	0	10	BJAE	
N[C@]1(CCCCCCC2CC2)CC2CCC1CC2	2218718866	SFZUSPFBXWUPOH-OFLPRAFFSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C[C@@H]1C[C@@H]1C1CC1	2218727737	WFJUXSYFWUAWLB-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(CCC=Cc2ccccc2)c1	2219077421	CAAXUXZZLQMDMR-UHFFFAOYSA-N	236.358	4.949	0	10	BJAE	
C[C@@H](C[C@H](O)CCCCC1CC1)c1ccccc1	2220026948	DGEVDUCMPXLFEZ-WMLDXEAASA-N	246.394	4.512	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@]12CCCC[C@H]1C2	2220044487	IRORFHIDRAJAAB-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)C[C@H]2CCC23CCC3)C1	2221023297	PJLLPEWMUCLXFM-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)C2CC(C(C)(C)C)C2)CC1	2221627473	UUXPEHMIMLMXDO-NDTCATRNSA-N	249.442	4.523	0	10	BJAE	
CCCNC[C@]1([C@H]2CCC2(C)C)CC=C(C)CC1	2221666740	JFIGOBNTYYDBDZ-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@H](C)c1ccc(C)cc1	2223970118	VGHFKYXWNGTVKB-GOEBONIOSA-N	247.426	4.642	0	10	BJAE	
CC[C@H](C)CC(=O)CC[C@H]1CCC[C@H](C)C1	2242770535	PZXLDIZNYGIKJC-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)NC(C(C)(C)C)C(C)(C)C	2243351415	LAWWKRPFUNCRTR-GFCCVEGCSA-N	227.436	4.616	0	10	BJAE	
CCCN[C@H](CCC(C)C)[C@@H](CC)CCC	2244776476	YNOYFMXPBJBCMY-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)CCNCC[C@H]1CCC[C@H](C)C1	2246695771	VIIUZSCXKJXYSF-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](C)[C@H](O)c1cc2ccccc2s1	2246859676	XZIWHOPYPNLQJE-ABAIWWIYSA-N	248.391	4.761	0	10	BJAE	
CN[C@H](CCCC[C@@H]1C[C@H]1C)CCCC(C)C	2247148785	KPGPZSJAUZIEBM-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@@H]1CCC12CCC2	2247394393	NXUWSQNENASZOS-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@@H]1CCC1(C)C	2247412852	CYOWXJAJMYLUKX-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CC1([C@@](C)(N)CC2=CCCCC2)CCCCC1	2247503953	XWRBXCSYAGXLFO-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@H](C)C(=O)CC[C@@H]1CCCC12CC2	2247636474	LWWSWWSDTRHTRR-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCN(C)CCC(C)(C)C	2248840079	LIZGNHDTVOLMDH-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)CCC(C)(F)F	2248846294	SVJJYPTXLBLLFF-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCC[C@H](CC)[C@@H](CC1(CCC)CC1)NCC	2250372519	PTCXZFRLJZOGKT-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@@H]1CC12CC2	2250470405	ZRMSADAJNAHYHE-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CC[C@H](C)CCCC(C)C)[C@@H](C)NC	2250482900	XDTYWWJSRGOWTE-BZUAXINKSA-N	241.463	4.863	0	10	BJAE	
CC(C)=CC[C@@H](O)CC[C@@H](C)CCCC(C)C	2250484141	BVKFFXQAHCYFAI-JKSUJKDBSA-N	240.431	4.946	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@]12CCC[C@H]1CC2	2251215625	LSCPSQCFABDVKO-XHSDSOJGSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C(=O)c1cccc(C2CCCC2)c1	2251253591	POHDYHQKLBRIPE-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1CCC2(CCCN2)CC1	2254523223	RMOLTKKERPQCPA-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccccc1OCCCC[C@H]1C[C@H]1C	2254543815	NBAGKMBSGSCGEW-ZBFHGGJFSA-N	246.394	4.844	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCC1	2254955042	QYEXCWHVNHPYOY-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC1(C)C)[C@@H]1CC=CCC1	2254970564	FOZXBVYWNMMQDF-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
O[C@]1(CC2=CCCCC2)CC[C@H]2CCCC[C@@H]2C1	2255057495	JZUFXPRHMVXPMW-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC[C@H]1CCCC12CC2)CC1CCC1	2255290481	GKSKBTZYQDMNFE-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)ccc1NCCCCC[C@@H]1C[C@H]1C	2257328507	RBMWBNOXCPTRKY-TZMCWYRMSA-N	249.373	4.762	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1ccc(C2CCC2)cc1	2259445918	XRHLEAAMBZRCQE-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@]12CCCC[C@H]1CC2	2260487145	FDVWKIHCDWOGCD-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
O=C(CC1=CCCCC1)C[C@]12CCCC[C@H]1CC2	2260578006	JFMNDOKJHQIKAJ-DOTOQJQBSA-N	246.394	4.807	0	10	BJAE	
CCCC1CC([C@H](N)C[C@]23CCCC[C@@H]2CC3)C1	2260604649	NKIMSQPVJMXPHP-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@@]2(C)CCC[C@]2(C)O)C1	2298259941	ZPCZWVVEXDMWBA-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](CC)NC[C@](C)(CC)C(F)F	2299926260	IVTMAXNBWOYRGF-JSGCOSHPSA-N	249.389	4.616	0	10	BJAE	
CCC(CC)CCC(=O)C12CCC(CC1)CC2	2300683319	IGGWJMMKWWIRRZ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(C)=CC[C@](C)(O)[C@@H]1CCCC(C)(C)C1	2300871369	FFTHWDJHHSTMAC-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)[C@H](C)[C@@H](C)C(C)C	2301843704	LIBPJIPQOFAIKS-BYNSBNAKSA-N	241.463	4.575	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)CCC1=CCCCC1	2301947077	YEURZAYVUZDATQ-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CC(C)C1(CC(=O)CCC[C@@H]2C[C@@H]2C)CCC1	2302610903	ZAYUAUGVOYYBNA-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)CNCCCC[C@H]1C[C@H]1C	2302636418	RXHMVJMTOKEJGF-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CC[C@@H]1C(C)(C)C	2303396598	AYYWPUDKXNETBQ-KGLIPLIRSA-N	236.399	4.764	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H](CC1CC1)C1CC1	2303738805	VFVFOTCTXJNEKG-OAHLLOKOSA-N	249.785	4.639	0	10	BJAE	
CCNCC(C)(C)CCC[C@@H]1CCC(C)(C)C1	2304431432	LBBCLVJRZZIKJT-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)CC1(O)CCC(C(C)C)CC1	2307844587	OFXOUIBUOLRUAE-QQFBHYJXSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CC(=O)C[C@@H]1CCCC1(F)F	2307923689	LUTZOTOWCQVQPX-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC[C@@]23CCC[C@@H]2C3)CC1	2308103806	JGUIMVKYIXJAGZ-VQHPVUNQSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)C[C@@]23CCCC[C@@H]2C3)C1	2311163512	LYDWQWUYRCWKAJ-CRNXPOROSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312904065	XJVQURIVORDKCZ-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@@H]1C[C@@H]2CC[C@H]1C2	2312907975	SNSAREQXHWVKBZ-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CCC(C)=CCC(=O)c1ccccc1C1CCC1	2316537723	SFWBXRYNTAFCDT-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317114947	URDLEWCHJPAZJK-OVYGPGRDSA-N	249.442	4.523	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1C[C@H]2C=C[C@H]1CCC2	2317118005	FIHSUWHCUWEAIU-JJXSEGSLSA-N	249.442	4.536	0	10	BJAE	
CC(=C1[C@H](CN)CCCC12CCC2)[C@H](C)C(C)C	2317820114	MHLFYXDFEMKELW-HIFRSBDPSA-N	249.442	4.524	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)c1ccccc1C1CC1	2317836278	UDTZSKGONIQQIP-OLZOCXBDSA-N	244.378	4.675	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)C1=CC[C@@H](C)CC1	2318937038	VETKGKFTGGNFTF-MUIFIZLQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C[C@@H]1CC12CCCCC2	2318940079	YYYDVWKXTHLLEU-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC(C)(C)C1)[C@H]1CC=CCC1	2319327191	UJVRJHKPNBOPHH-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CC(C)(C)C2(C)C)CC1	2320237909	PBRMXVGJVCEOBM-CABCVRRESA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@]1(N)CC12CCCCC2	2320323694	ZUOQNHDRCRBBQG-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H](CC2CC2)C2CC2)c1	2320626446	IHVRMHAFOZSSAL-KRWDZBQOSA-N	241.378	4.555	0	10	BJAE	
CC(C)(C(=O)[C@@H](CC1CC1)C1CC1)C1CCCC1	2320817303	UHPPQNASQLGRLI-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2ccc(N)c(C)c2)c1	2327780128	AKTHDRRFXIBSOP-UHFFFAOYSA-N	239.362	4.676	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(C)c(F)c1	20520098	XUTMMKXIPIGLBZ-ZDUSSCGKSA-N	237.362	4.905	0	10	BJAE	
CC(C)c1ccc([C@H](C)Nc2ccccc2)cc1	20547728	JZFARZTXQJVUMA-AWEZNQCLSA-N	239.362	4.983	0	10	BJAE	
CC[C@H](NCCC1=CCCCC1)c1ccccc1	21519469	NFEUVLPFAPVYTK-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
CCN[C@H](c1csc2ccccc12)C(C)(C)C	35554997	GEIICRQIVLMXEB-CQSZACIVSA-N	247.407	4.598	0	10	BJAE	
C[C@H](Nc1cc(Cl)cc(Cl)c1)C1(C)CC1	37467760	XAUDYCSJGBYBDM-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
CCCCCC(CC)(CC)CNCC(C)C	71128077	HHWYLTLEZOYUFH-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C2(N)CCC(C)(C)CC2)C1	79657636	YXSKWYXGIBQEOS-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCc1cccc(O[C@H]2CCC[C@H](CC)C2)c1	85150989	MDKDLGHOBTUXDX-HOCLYGCPSA-N	232.367	4.597	0	10	BJAE	
CC(C)CC[C@H](N)C1CCC(C(C)(C)C)CC1	87986995	FFIOQRRSHDNSPA-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H](C)c1cccc2cc([C@@H](O)C(C)C)oc12	88072421	FEJGUGPUNCPYOK-ABAIWWIYSA-N	246.350	4.636	0	10	BJAE	
CC(C)[C@H]1C2=C(CCCC2)c2ccccc21	95630760	IJBADPVNLRJTBC-MRXNPFEDSA-N	212.336	4.767	0	10	BJAE	
Cc1cccc([C@@H](O)CCCC(C)C)c1Cl	124289298	KRFHFUWXKKWHKK-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CCCCCC[C@@H](CCCC(C)C)NCC	133470913	AGARINFBAVPTJN-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CC1(c2ccc(Cl)cc2Cl)CCCC1	149363409	LGBGEQJWHOQAPI-UHFFFAOYSA-N	229.150	4.825	0	10	BJAE	
CC(C)NC[C@@H](C1=CCCCC1)C1CCCCC1	161456415	KIXKGDGIVABAJF-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@@H](C)C1CC1	163499212	HPNMNBUDTJGMJH-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CCN[C@@H](c1cc(C)c(C)cc1C)[C@@H](C)C(C)C	168720082	GKWFIXHDRFDGOI-DOTOQJQBSA-N	247.426	4.555	0	10	BJAE	
CCCC[C@@H](CC)C/C(C)=C\CCNC(C)C	211870660	CVZVLPFZFNEQSA-DDITZMBXSA-N	239.447	4.927	0	10	BJAE	
CCCC(CCC)[C@H](NC)c1cc(C)ccc1C	211927414	NRJGJRHUIVBTRO-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@H]1CCCCC1(C)C	226819202	VBUHRMGQONQLRF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)/C=C(\CNC(C)C)C1CCCCC1	228123792	IRWBDWCXAAJEGY-DSQDWWTGSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@@H](C)CCC	228725024	ZNJUZMGSEBPVRL-KKUMJFAQSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)CC1CCCC1	229175927	PWYNRENPAJKSRU-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1C	229189938	RJFOOCYGCGEYCJ-OSAQELSMSA-N	244.378	4.558	0	10	BJAE	
Cc1cc(C)c(-c2ccc(N)c(Cl)c2)cc1C	232153806	JNLAJXYNIYFGDF-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1CNc2c(Cl)cccc21	232618655	UEYSJXWDNWZJCE-JQWIXIFHSA-N	237.774	4.531	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	251122120	FIISHHGUSOLZTQ-QEJZJMRPSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCc2ccccc2C1=O	302298968	MNZLZURSRIJEHE-CQSZACIVSA-N	244.378	4.648	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](C)CCC(C)(C)C	304400315	NZRRRNTYKVGDSX-MELADBBJSA-N	227.436	4.616	0	10	BJAE	
CCCCCC[C@@H](NC)[C@@H](CC)CC(C)C	308075985	VICOMJCRDAYUGV-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1csc(C)c1	308116138	VVAJCFMFMFBZIV-GFCCVEGCSA-N	238.396	4.702	0	10	BJAE	
CCCNC/C(=C\C1CCC(C)(C)CC1)CC	310272397	TZLUQRCOXZBSQU-OWBHPGMISA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](C[C@H]1CCC[C@H](C)C1)NCCC	310458753	XJZNTVNDGTURCA-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC1(C)CCC1)NCC	310498927	IUDCUUQWPQMFSP-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C(C)(C)C(C)(C)C	310591218	ZKRRLEIVHXVEKA-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1cc(CC)ccc1CC	310629246	ZUXNAKXPCFMAPN-SUMWQHHRSA-N	247.426	4.638	0	10	BJAE	
C[C@@H](C[C@H]1CCC[C@@H](C)C1)[C@@H](O)c1ccccc1	310728445	CVCOEZSUJSJFFL-WBTNSWJXSA-N	246.394	4.573	0	10	BJAE	
CN[C@H](c1cccc(C)c1C)C(C)(C)C(C)(C)C	311157420	LDWMPZOEXGWVBH-OAHLLOKOSA-N	247.426	4.636	0	10	BJAE	
CC[C@H]1CCC[C@@](CNC(C)(C)C)(C(C)C)C1	317762841	AFTVOVXABBBTQI-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1ccc(C)c(C)c1)[C@H](C)[C@@H](C)CC	319950423	CDFHMPAZYQCQNL-MJEQTWJJSA-N	247.426	4.636	0	10	BJAE	
CCC[C@@](O)(c1ccc(C(C)C)cc1)C1CCC1	322526161	KUIHTCPWCQXTHZ-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)C)c1cccc(C)c1C	380665928	XJUSNHWJJOMFDN-CXAGYDPISA-N	247.426	4.636	0	10	BJAE	
Cc1ccc([C@H](O)CCCCCC(C)C)s1	383135067	LJDRVLAQLJCPST-CYBMUJFWSA-N	240.412	4.696	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@H](C)[C@H](C)C1	383184614	NRDYBFZHUMFRAU-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCCCC[C@H](C)[C@@H](C)CNC1CC1	383236867	UQPOZPIOMHBJIK-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCCC1(O)CCC(C)(C)CC1	383535860	NNSXGQFYNSGISB-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](C)CCC(C)(C)C)[C@@H]1C	384161460	TVAVESDYIBOIMU-TUVASFSCSA-N	239.447	4.616	0	10	BJAE	
CCCC1(CN[C@@H](C)c2cc(C)oc2C)CCC1	391805446	JCXJDRQGWQPKCF-ZDUSSCGKSA-N	249.398	4.517	0	10	BJAE	
CC[C@H](C)CCNc1cc(Cl)cc(Cl)c1	394396260	GHBUWWNFHKOZQU-VIFPVBQESA-N	246.181	4.842	0	10	BJAE	
CCCCCC(C)(C)CNCC[C@H](C)CC	394397670	CVQTXMAVJWCPTJ-CQSZACIVSA-N	227.436	4.619	0	10	BJAE	
CCCC[C@H](CCC)NCC1(C)CCCCC1	394602912	NYHPJGORIAPWFQ-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@](C)(CCCCCC(C)C)CNC	394854465	HIQDYBKIRVPLGA-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCC[C@@](O)(CC1CCC(C)CC1)C(C)(C)C	395310691	GWCRKYAFUKVMCC-ZBCRRDGASA-N	240.431	4.780	0	10	BJAE	
CCc1c(C(F)F)ccc2cc(F)sc12	396221847	SWGPQEBRUUDLKS-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCOc1ccc2cc(C)sc2c1C(F)F	396243671	NTKIHXULUMBRNY-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1c(F)ccc2sc(C(F)(F)F)cc12	396292819	FPMDDMWQZHYGFZ-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CCc1cc2c(C)cc(C(F)(F)F)cc2s1	396305479	OSHHORNTTRHOSC-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCC[C@@H](NCCCCC(C)C)[C@@H]1CC1(C)C	397724204	YCULTZXVOUPPDE-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](c1c(C)cc(C)cc1C)[C@@H](C)C(C)(C)C	399203439	RIPWETSSYLMZPG-ZBFHGGJFSA-N	247.426	4.555	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CNC)[C@@H](CC2=CCCC2)C1	400651150	QENTZZBQBJMZOL-HYVNUMGLSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1CC=CCC1	402202505	BXPCOKFEONNADE-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CC[C@@H]2C[C@H]2C1	403697914	SVNUQACQDFLZLX-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1C[C@H](C)CC(C)(C)C1	686307389	YKILFVXTYSKIQR-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CCC)NCC1(C(C)C)CCC1	687274031	NPDKITOUZPVDRE-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2cccc(C3CC3)c2)CC1	690079081	XIKIYJIKBOGYHD-XJKSGUPXSA-N	243.394	4.945	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H](C)CCC1CC1	691071955	FCFLYFFCWIVVCA-FVQBIDKESA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)N[C@H]1CCCCC[C@H]1C(C)C	691164721	JFRWXTPCYDDBJZ-JYJNAYRXSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CCCC1CC=CC1)C(C)(C)C	692020471	FQDYWOGHBHVIDM-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CCCC[C@H](N)c1ccccc1	696705510	WVDDYPGEHKAWOW-HNNXBMFYSA-N	233.399	4.683	0	10	BJAE	
CCN[C@H](CCCCC=C(C)C)c1ccccc1	697767718	RKEILZWCSZDVTJ-QGZVFWFLSA-N	245.410	4.864	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@H]1C[C@@H]1C(C)(C)C	699993106	BPTSMEDOLBVHHB-PMPSAXMXSA-N	246.394	4.526	0	10	BJAE	
CCC[C@@H](C)[C@@](C)(N)c1cc2ccccc2s1	704506081	FQBUJSJKDGYXBZ-IAQYHMDHSA-N	247.407	4.511	0	10	BJAE	
CCN[C@@H](CC1(C)CCC1)[C@@H]1CCCC2(CC2)C1	710134953	ILJPLLYXYHYVNO-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC(=O)[C@H](C)CC(C)C)C(C)(C)C	711180865	SMGYWONSNPJRSF-OLZOCXBDSA-N	226.404	4.700	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)CC(C)(C)C(C)C	713271630	IEYYQIDFLKEPCF-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CC1(C)CCC[C@@H]1N[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714304435	OQHXEUWQJKZLGE-JONQDZQNSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(C2CC2)s1	716650656	NDIWYDNTABOEEH-JTQLQIEISA-N	236.380	4.635	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@H](C)c1ccccc1	718578258	IGWRCKZZGUBCFF-WBVHZDCISA-N	245.410	4.515	0	10	BJAE	
C[C@H](CC1CCC1)N[C@@H]1CCCCCC1(C)C	719223369	QSHLPSLOFOXEIV-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)c1cscc1C(F)F	720311257	ATHFYRLWUXOUGL-GZMMTYOYSA-N	248.338	4.545	0	10	BJAE	
C=C/C=C/CCSCc1ccccc1C1CC1	1189146247	QLGJZIUWKCWEKV-ONEGZZNKSA-N	244.403	4.930	0	10	BJAE	
CCCCC[C@@H](C)NC[C@H]1CCCC(C)(C)C1	1199053270	VXGXZKVMMHOZMQ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CCNC[C@@H](C)C1CCCCC1	1207357931	SHDBFWHFFHQQDG-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)CN1Cc2ccccc2[C@H]1C	1473669490	NPNZOZVVKPTQRT-HUUCEWRRSA-N	245.410	4.780	0	10	BJAE	
CC1(C)CC(NC2CCC3(CCCCC3)CC2)C1	1621012875	JAWLRCOXKUJBIJ-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CCN(CCC1CCCCCC1)CC(C)(C)C	1654553830	DFIOLRZWIGLLQC-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
C[C@@H]1C[C@H](N[C@@H]2CCCCC23CCCCC3)[C@@H]1C	1875421055	XSNIUWAOQFMKPS-LVQVYYBASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(C)=CCCNC(C)C	1876996615	UAUKORZXWYFLNY-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)[C@@H](C)C(C)C	1901681956	JMQBMDYEIZRTCJ-GJZGRUSLSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@@H](C)c1nc(CC2CCC2)cs1	1901908571	NZLUGUNFFSKJLT-LLVKDONJSA-N	237.412	4.779	0	10	BJAE	
CCc1cscc1NCCCCCC(C)C	1902382052	UOXPTDACGUOPEW-UHFFFAOYSA-N	239.428	4.939	0	10	BJAE	
CCC=CC[C@@H](CC)c1c(F)cccc1F	1911842050	CAHAGAIEIZECDJ-LLVKDONJSA-N	224.294	4.815	0	10	BJAE	
CC(C)(C)CCCC1(CO)CC2(CCCC2)C1	1912556703	IJHNDPYHQPQFTI-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
O[C@@]1(C[C@@H]2CC=CCC2)CCC2(CCCCC2)C1	1915885927	OTWMVUMTKJSTTL-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(CN[C@H]2CCC3(CCCC3)C2)C1	1916444506	IPIWURWNGOUNIK-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](C)(N)[C@H]1CCCC[C@@H]1C	1920188028	SJQSEOTZCLJPJF-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CCC1(C[C@@H](N)[C@H](C)C2CCCCC2)CCC1	1924126618	RFQBJNIVZYDENB-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCCCC2)CC[C@@H](C)C1	1925797547	FZSDXXIBWVTUFB-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCNC[C@]1(C[C@H]2C=CCCCC2)CCC[C@@H]1C	1925798564	MPAAPBOGJMFWLY-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1NC[C@H]1C=CCCCC1	1925822224	YYNUASYBQPYLGI-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
C1=C[C@@H](Cc2ccccc2C2CC2)CCCC1	1925878953	GUBRAZVBHKOSDL-CQSZACIVSA-N	226.363	4.853	0	10	BJAE	
c1cc(N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)cs1	1938708561	AZKKTGUCSMRFGT-DABQJJPHSA-N	235.396	4.519	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)C1CCCC1	1940405123	AAMHUUOHYVJXEI-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@@H](C)C1CC1)NCC	1940722950	NFTZKTSEBPOMCM-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@H](O)CCCC1(C)CC1	1941248900	RZWSSLSCUOWCKB-HUUCEWRRSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H](C(=O)CC1(C)CCCC1)C(C)C	1941264766	OFXCLTCPPYYCCY-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)[C@@H](CC(C)C)C(C)C	1941265805	YJJILAFPNFJFDM-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)CCCC1CCC1	1941463913	JXQZORWEAPXCQR-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](N)(CCCC1CCC1)C1CCCC1	1941467491	ZOBIVTDWNKTVLP-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC(C)CC[C@@H](C)c1ccc2c(c1)NCCC2	1942659024	IMZDZMKFYJGUSX-CYBMUJFWSA-N	231.383	4.584	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C(C)(C)C(C)C)cc1	1944618692	PPNAQEPCMUWQCO-OAHLLOKOSA-N	234.383	4.526	0	10	BJAE	
C[C@H](C[C@H](O)C[C@@H]1C=CCCC1)CC(C)(C)C	1947602637	NRPUZHXEPOMULN-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
Cc1cc(NCC2CC3(CC3)C2)c(C)cc1Cl	1948819747	BPOZTSCQBQEINW-UHFFFAOYSA-N	249.785	4.559	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C[C@@H]2C=CCCCC2)s1	1949124995	OUVVJYHXUXQCKA-KGLIPLIRSA-N	249.423	4.501	0	10	BJAE	
CCCCC[C@](C)(N)[C@H]1CCC2(CCCC2)C1	1949551204	IUDFMNNGFKCGMI-GJZGRUSLSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H](CCCC[C@@H]1CC1(C)C)C(C)C	1949826946	XVHNLCQUKAPRFC-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)CCC2CCCC2)CC1	1950911381	ODUKYSXGWZPCHR-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCNC[C@@]1(C(CC)CC)CCC[C@H](C)CC1	1950928785	AUTBOQIMGYBMCH-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC1(CN[C@@H]2CCCCC23CCC3)CCCCC1	1967724573	DHTHRRDNTMSUPA-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@H](NC[C@H]1CCCCC12CCC2)C1CCCC1	1967863967	AMTHPOKOAPDECG-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)CNc1cccc(OC)c1C	1968827576	JREFJSJTJGGULB-CQSZACIVSA-N	249.398	4.632	0	10	BJAE	
CCC(=O)c1cccc(-c2cc(C)sc2C)c1	1969505427	KCHCCCJMGMARMC-UHFFFAOYSA-N	244.359	4.625	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@H]1N[C@H]1CCCC2(CCC2)C1	1970487372	LIQSHHNYHDUTKF-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@H]1Nc1ccc(F)c(CC)c1	1971991122	LNTCPEMIDVFOBT-XJKSGUPXSA-N	249.373	4.769	0	10	BJAE	
CCc1ccc(N[C@H]2CC[C@H]3CC[C@H]2C3)cc1C	1972022923	RPNZZODWNDVTQU-KMFMINBZSA-N	243.394	4.548	0	10	BJAE	
C/C=C/CCCC(=O)CCC1CCCCC1	1984588795	HMFQWUYGRKHFAX-NSCUHMNNSA-N	222.372	4.662	0	10	BJAE	
C/C=C/CCCC(=O)C[C@@H](CC)C(C)(C)C	1984593105	LEYLSFSFRCMKNJ-STMXVASLSA-N	224.388	4.764	0	10	BJAE	
C/C=C/CCC[C@@H](O)C[C@@H](C)CC(C)(C)C	1984603808	QIAXLRANTSKVOQ-JLVOYYQZSA-N	226.404	4.556	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCC1(C)CC1	1984626392	SZXYNCXCLTYKKO-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)(CC)CN(C)CCC(C)(C)C	1985645404	TVGDKFBMVVKBDB-UHFFFAOYSA-N	227.436	4.571	0	10	BJAE	
CCCC1(C[C@](C)(O)C(C)(C)CC)CCC1	1989800371	GCMODPXGVDJSJS-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C2CCC(C)(C)CC2)C1	1996231786	MILOATGCZUFCKU-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@H]2CC[C@@H](C)C2)C1	1996235286	AOUCVRHLFFKCFR-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](Nc1ccccc1SC1CC1)C(C)(C)C	1996548057	IXPIWBILCWUEAL-LLVKDONJSA-N	249.423	4.788	0	10	BJAE	
CCCC(C)(C)CNC1C(C)(C)CCC1(C)C	1996617922	WQKVFNAOAPGPRA-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H](O)[C@H]1CCCC2(CCCCC2)C1	1996647191	JDVKSJXAKVJCLR-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CCC1CCC1)NC	1998029016	AOWALGPKVBXTML-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
Cc1cscc1C(=O)C[C@H]1CCC=CCCC1	1999984913	DHSYVJSKIXIZEC-ZDUSSCGKSA-N	248.391	4.766	0	10	BJAE	
CC(C)(C)C(C)(C)NC[C@@H]1CCC=CCCC1	1999995135	BGTGFIMUOXRFEQ-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCc1cccc(O[C@@H]2CCCC(C)(C)C2)c1	2000108384	ZECOIKOIFLAIRD-OAHLLOKOSA-N	232.367	4.597	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CCCC(C)(F)F	2000196889	PBPLFHLNMDTCPO-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCCC1([C@@H](CC2(C)CCCC2)NC)CCC1	2000331992	HZELGPBLHSRZRI-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC1([C@H](C[C@H](C)CC(C)C)NC)CCC1	2000332358	JFVGLDIKGFDBTB-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2001494824	OFCTYYJAWHPMKR-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@]2(N)CCC[C@@H](C(C)(C)C)CC2)CC1	2002513777	DSPHJKOAWMZDNV-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H]1CCCCCCC1=O	2003116596	JVERXMKCNCSPJG-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CN[C@H](CC1(C)CC1)C1(C)CCCCCCC1	2004936523	ALYGBGIYDBLYOC-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@H](NCC1(C)CCCCCCC1)C1CCC1	2004942481	SWIIEBYTBOJMLW-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@@H]1CCCCC12CC2	2005591930	LZGVVFXUWIRFGT-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CC[C@@](C)(F)CC1	2005918314	HKZGUGPFDZKYDH-KFWWJZLASA-N	243.410	4.606	0	10	BJAE	
CCN[C@@H]1C[C@@H](C)C[C@@H](CCCC(C)(C)C)C1	2006624725	RZICPARTICVABP-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CCC[C@@H]1C(C)C	2007615505	JWVQAPDGJWNXIB-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H]1CCC[C@@H](CC)C1	2007863612	UDTAWHGWENXORA-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C[C@@H](N)C=C1CCCCC1)C(C)(C)C	2007934414	KEILBQKNPLKRKJ-CABCVRRESA-N	237.431	4.667	0	10	BJAE	
CCCN[C@@H](C1=CCC(C)(C)CC1)[C@@H](C)CC	2010715565	LGZCKQAAOOHDOX-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C1=CCC(C)(C)CC1	2010724257	ZWDLJELRMSVCJV-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)[C@@H](N)CC1=CC[C@H](C(C)(C)C)CC1	2010728793	IVPNVTRZGFDSHF-QEJZJMRPSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1CCCC2(CC2)C1	2013267565	RNKAYZIWAGYDHU-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H](C)C1(C)CCCC1	2014336249	CHBYTBGJGUNASI-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H](C)C1(C)CCCC1	2014337277	COGBKMQJNUGBSV-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C[C@H](N[C@@H]1CCCC(C)(C)C1)C1(C)CCCC1	2014341023	VIWYBBPKXQMOTF-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCCC1(CN(C)C2CCCCCC2)CCC1	2015634417	RLSJZKRYCHFRTI-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCCCC[C@H](C)NCC1(CC2CC2)CCC1	2015743799	OPISAAKPMSIOEI-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CC[C@@](O)(C[C@H]2CC[C@H](CC)CC2)C1	2017653676	WIBVBKZQSGFJAZ-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H](CCCNC(C)(C)C)CC1	2017728203	IUCCEALKCGMPMQ-SHTZXODSSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H]1CC[C@H](CCC(=O)C(C)(C)C)CC1	2017768375	CIGAPYBVLALCKY-HDJSIYSDSA-N	238.415	4.988	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)C[C@@H]1CCCC(C)(C)C1	2024101661	MFQRNEHNANHVRZ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](C)CC[C@H](CCCC1CC1)NC	2026166829	MQOYNVYSGVPEPJ-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)CC(C)(C)C(F)F	2026172249	XYBZBHPWHREFRI-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
CCC(C)(C)C[C@@H](O)Cc1ccccc1C(C)C	2027463891	UPICBENWJJLDRY-HNNXBMFYSA-N	248.410	4.540	0	10	BJAE	
CC1(CC[C@H](N)c2ccc(C3CCC3)cc2)CC1	2027737053	QDVFRNWTONCSFW-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
C[C@@H](C[C@@H](C)c1ccc(N)cc1)C1CCCCC1	2027941448	RYTPCHFXJKMUDR-UONOGXRCSA-N	245.410	4.979	0	10	BJAE	
CC(C)=CCC[C@H](N)c1ccccc1C1CCC1	2029079181	UXPGZHOGQLHQGH-KRWDZBQOSA-N	243.394	4.700	0	10	BJAE	
CC1(C)C[C@H](NCC2(C)CCCC2)CC2(CC2)C1	2030288576	PJIWCGFVVUADPR-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](N[C@]23CCCC[C@@H]2CCC3)C[C@H]1C	2031798961	QLDURPRVZTVILO-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@H]1[C@@H](CC)[C@H]1C	2033498772	QNKTUZAYENFPLR-XLNGHYISSA-N	249.442	4.537	0	10	BJAE	
CCc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)c1	2034262649	KJVUJYDDLWSSTL-BHYGNILZSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCC1)C(C)(C)C1CC1	2035598904	LDRTUSRJXIWKMJ-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c([C@](C)(O)[C@H](C)CC(C)C)cc1C	2036374835	LFAOALAYDDJBFU-NVXWUHKLSA-N	248.410	4.502	0	10	BJAE	
C1=C[C@H](n2ccnc2C2CCCC2)CCCCC1	2036776059	LOHNWJLAQWOLGY-HNNXBMFYSA-N	244.382	4.602	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC[C@H]1C[C@H]1C1CC1	2037128592	QXXYHJUUXTZCSH-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@]1(CN)[C@@H]1CCC2(CCCC2)C1	2037688950	BWLBSTVOOYWQMD-PBHICJAKSA-N	249.442	4.502	0	10	BJAE	
CC1(C)CC(CCN[C@H]2CCC3(CCCC3)C2)C1	2038096137	YMZVOHUBAJMDGX-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@H](NC)c2ccccc2C(C)C)CCC1	2039723980	HIJIYCDSKNPNQM-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@@H]2CC[C@H](C)C2)cc1	2040138546	PFGQYIWBQSAMIM-VBQJREDUSA-N	245.410	4.636	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@H]1CC[C@H](C)C1	2040141745	KQKXURFQGCCVEH-KBPBESRZSA-N	244.378	4.819	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1cccc(C2CCC2)c1	2040724554	WQBFNZQRDJLBSJ-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CCN[C@H]([C@@H]1C=CCCC1)[C@H]1CCCC[C@@H]1CC	2043188087	QTXKXUVDNLENJZ-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@]1(N)C[C@H]1CCC=CCCC1	2045315760	XHZKEGQVIWATQU-YESZJQIVSA-N	249.442	4.667	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CC[C@H](C)C2)cc1C	2045562308	RJHWRCGBKNPBBT-NHYWBVRUSA-N	244.378	4.621	0	10	BJAE	
CN[C@H](CC1(C)CCCC1)[C@@H]1C(C)=CCC[C@@H]1C	2045750624	WNEJLOKEHCLYTK-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1CC12CCCC2)C1CCCC1	2047061817	IQBWYCSAWUTKAM-CQSZACIVSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CCC3(CC3)C2)CC1	2049955250	SSAJSTIPMAWNKZ-SLTAFYQDSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@]12C=C[C@@H](CC1)C2	2049998388	VGHDOOIQLFZCQH-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H]1C[C@H]1CC)[C@@]1(C)C=CCCC1	2049999073	YXGFYQALRURPKE-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@@]1(C)C=CCCC1	2050007264	PNVRTSZEDDPBEA-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1=CCCCCC1)c1ccccc1C	2050457002	XTDFDGUPHOPFIA-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@@H]1CCC[C@H]2CCCC[C@H]21	2051400154	IVZXCZWMSMLFRD-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)[C@H]1CCCC12CCC2	2051405622	FDLSAIJSCSLCBW-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H]2CC[C@H]21)C1CCCCC1	2052288613	OKJSHLQUNBKADG-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@@H]1CNC1CC2(CCCC2)C1	2053386952	VBFUGRWDFYHQMC-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(C=C2CCCCC2)CC[C@H]2CCCC[C@H]2C1	2056908919	YNTUCDGTHKSKTM-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C[C@@H]1CCC[C@@H]2C[C@H]12	2057357169	IXTKFIDLCYSQHQ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](O)c1cccc2ccccc12	2059221992	VHKTXICQMRMJIO-YATRRXNKSA-N	240.346	4.620	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1cccc(F)c1C	2059254099	WYMWKGQYDANSEJ-MQDFFIGUSA-N	249.373	4.531	0	10	BJAE	
CCCCCC1CC(NC[C@@H]2CCC23CCC3)C1	2059393658	JDIXPNMLEBESLV-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)[C@H]1CCC[C@H]1C	2061080357	HFRJVGRWJMDYQM-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)C2C[C@H](C)C[C@@H](C)C2)CC1	2061084612	LEMXGYAZNYZNPL-WBOJAVRRSA-N	249.442	4.523	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](CC)CC1)C1CCCC1	2061098914	LVPFRKUJVXELND-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC=C([C@@]2(N)CCC3(CCCC3)C2)CC1	2061119094	MFHXCCHMZVEVLV-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCCc1ccc(NCC[C@@]23CCC[C@@H]2C3)cc1	2061571924	NNHIGPLSKCUOBS-NVXWUHKLSA-N	243.394	4.631	0	10	BJAE	
C[C@H](C(=O)CC[C@@]12CCC[C@H]1C2)C1CCCCC1	2061608033	UZAFGYSLRIEOFQ-JLJPHGGASA-N	248.410	4.742	0	10	BJAE	
CC(=CC1CC(=C2CCC2)C1)c1ccc(N)cc1	2061663933	CZQDYMQEIWWGJM-UHFFFAOYSA-N	239.362	4.563	0	10	BJAE	
CC(C)Oc1ccccc1CC1CC(=C2CC2)C1	2061718899	RMZIWUZCNRVNEA-UHFFFAOYSA-N	242.362	4.517	0	10	BJAE	
CC(C)(C)[C@@H](N[C@H]1CCCCCC12CC2)C1CC1	2062018504	DZQFPUUILUYOBU-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
O=C(CCC1=CCCCC1)C1C[C@H]2CCC[C@@H]2C1	2063499815	CYUDLESDPWIWSY-HUUCEWRRSA-N	246.394	4.662	0	10	BJAE	
CC1(C)CC[C@@H](N)[C@@H](CC23CCC(CC2)CC3)C1	2065335453	PSNMUOALGYOQPY-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CCC1(CC)CCC(N[C@H]2CC[C@H]3C[C@@H]2C3)CC1	2069355252	ZTZDFROOIYYVIR-LZWOXQAQSA-N	249.442	4.514	0	10	BJAE	
CC1(CNCC2(CC3CC3)CCC2)CCCCC1	2069505549	PNBWMUHWGACKSK-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC12CCC(CC1)CC2	2070312798	YQLDETOOLRLPKT-AQFXKWCLSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](C[C@@]12CCC[C@H]1C2)C1(C)CCCCC1	2070958780	LOTSWBDCZDLRJT-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@H]1C[C@H]1CC)C1=CCCCCCC1	2071503144	FNNGEMSKFUPMTL-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H]1CCCC2(CC2)C1	2072424277	JPDJWPYJMXCILW-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)[C@H]2CC23CCCC3)CC1	2072801813	RCBYKCHWFBPQEC-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC(C)=CCCc1c2c(cc3c1CCC3)CCC2	2072883653	FTVDHEXBAHEDEJ-UHFFFAOYSA-N	240.390	4.563	0	10	BJAE	
CCC(C)(C)[C@](C)(N)c1ccc(C2CCC2)cc1	2072913672	VRYCIARSVOBVIW-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCC[C@@H]1c1ccccc1	2075246299	ZSWIXXOWWPPUIX-NVXWUHKLSA-N	245.410	4.648	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CC[C@H]3CC[C@H]2C3)c1	2077262770	FHDIMOKALCILDN-IVMMDQJWSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)CCCC23CCC3)C1	2082980924	ZGBGGAMFNZXEEJ-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
CC=C(CC)c1cc([C@@H](C)NCCC)ccc1F	2084708644	BZMVNBFGOCNOBL-GFCCVEGCSA-N	249.373	4.700	0	10	BJAE	
Cc1ccc(Cl)cc1OCCCCC1CC1	2211116927	GDBKPVHPDATSQM-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCC[C@](O)(CC1(C)CC(C)(C)C1)C1CCC1	2215380464	WXFGEAIQZWMFME-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCN[C@H]1CCC[C@@H](C(C)(C)C)C1	2216248489	XVIZXHTUUDBGBT-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@](N)(C2CCCCC2)C1	2216252762	MRIDNHVZHIZDMC-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@]1(O)CCC[C@H](C(C)(C)C)C1	2216254377	ZJSMYIGWJSXATO-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)NCC(CC)(CC)[C@H]1CCC[C@H]1C	2217125778	RIKPWDLYJIKEHC-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1NC[C@@H]1C=CCCC1	2217281461	DRQLQVDIIBUQSF-GFCCVEGCSA-N	249.785	4.671	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)C1C[C@H]2CCC[C@H](C1)C2	2218339589	LRBNGINHDIVCGU-ILXRZTDVSA-N	246.394	4.518	0	10	BJAE	
C(CCCC1CC1)CCNC[C@@]12CCCC[C@@H]1C2	2218733604	YFLZYPYHEUKYJD-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC=Cc1ccccc1	2219096562	XCIPWHCOIACFAI-MRXNPFEDSA-N	244.378	4.875	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@]1(CNC(C)C)CC=CCC1	2220850940	JKEGVMCADSDFIX-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CC1(CC[C@@]2(C)CNC(C)(C)C2)CC2(CCC2)C1	2221037172	VSAVAUFVIPPPJT-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H](C(C)(C)C)C1)c1ccoc1	2222268075	SAWRZQFDUMKVBL-NWANDNLSSA-N	249.398	4.535	0	10	BJAE	
CCNCCC=CC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222974014	SUBQJYONVITUGX-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)NC[C@@]1(C2CCCCCC2)C=CCC1	2223594682	MNZGBCMPIAIHLS-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)NC[C@]1(CC2CCCC2)CC=CCC1	2223595937	OYNOSIOTHZCLIN-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](C2(CNC3CCC3)CCCC2)C1	2223598456	IOARSLKUVPZGCE-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H](O)[C@H](C)c1ccccc1)CC(C)(C)C	2224173979	PLFLORUSLSXSGO-SQWLQELKSA-N	248.410	4.613	0	10	BJAE	
CCCCc1ccc([C@H](O)C[C@@H](C)CC)s1	2242605037	NTKJJYIQBDFENF-WCQYABFASA-N	240.412	4.560	0	10	BJAE	
CCC[C@@H](C(=O)C[C@H]1CCC12CCC2)C(C)C	2247360777	UBKRXMNWQFFXHJ-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](O)CC1CCC(C)(C)CC1	2250355400	AVWURKCUAZUKPR-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CC1CC2(CCCC2)C1	2250362492	VIDJGCRNWRCUNM-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H](O)C1CCCC1	2250467730	VGNPIICPPQSIFE-ZBFHGGJFSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](NCC[C@@H]1CCCCC12CC2)C1CC1	2253891691	XTBRLAOWMPZZRG-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1	2254569115	NNWSSGHTMLSSKV-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@]1(C[C@H]2CCC23CCC3)CCCCCN1	2254983196	ZCYBSNVGRSVPJN-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
Cc1ccc2cc(CC3=CCCCC3)ccc2n1	2255116499	GOKWNKNDXMQSBQ-UHFFFAOYSA-N	237.346	4.586	0	10	BJAE	
C[C@@H](CC[C@H]1CCCC12CC2)c1cccc(N)c1	2255258816	LFZBENBUANSWIY-DZGCQCFKSA-N	243.394	4.733	0	10	BJAE	
N[C@H](CCC[C@H]1CCCC12CC2)C1CCCCC1	2255313901	VSRJJALCRBCTLI-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CCCCCC1CC(N[C@@H](C)[C@@H]2CC23CCC3)C1	2256418918	FUXBAQQWHXYABO-LBDPXKHJSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H](Nc1cccc(C(C)(C)C)c1)C1CC1	2257907916	MWWPCUBWHHXXBM-MRXNPFEDSA-N	245.410	4.975	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@]23CCC[C@@H]2CC3)CC1	2260513052	RRAIWIBWMZRMNJ-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
CC(C)C[C@@](C)(N)c1cccc(C2CCCC2)c1	2260716743	PRZSTFVXXZKVLF-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)c1cccc(C2CCCC2)c1	2260730109	OPULQQSHJSUTOJ-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC=C1CCC1	2300458012	GWLCLNOWEUXUGI-UHFFFAOYSA-N	229.367	4.641	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1CCC[C@H]1C(C)C	2300500332	FEXWKYCDMGRYLG-OWCLPIDISA-N	239.447	4.616	0	10	BJAE	
CCC(CC)CC[C@](C)(O)C1CCC(C)CC1	2300674942	ZUOJBGLQAPLKQZ-BCLQGDPASA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](CCC(CC)CC)NC	2300676019	KJMUFQKBLPKPFL-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC[C@H](C[C@@H](C)C(C)(C)C)NC	2300683463	JVNAJBCUAKBLQO-UKRRQHHQSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)[C@H]1CCC1(C)C	2300704486	RSKVXDWCGPHQMX-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC=CC[C@H](NCCC)[C@H](CC(C)C)C(C)C	2300906529	JBYMYXKSAMGFBT-CVEARBPZSA-N	239.447	4.639	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@H]1CC[C@@H]1C(C)(C)C	2303431786	NCMBWNCLIOXYIU-IHRRRGAJSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C)C(=O)C[C@H]1CC[C@@H]1C(C)(C)C	2303509040	VBZVGNKDZMHWIR-MJBXVCDLSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](CC[C@H]1CCC(C)=C(C)C1)CC(C)C	2303585866	YFIHCTUCYRJKNZ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)c2sccc2C)CC1	2303593677	ZNGMFZSMJOTXCG-ZDUSSCGKSA-N	248.391	4.766	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)c2ccc(C)s2)CC1	2303600056	CEKLKCVIECQXDO-ZDUSSCGKSA-N	248.391	4.766	0	10	BJAE	
CC(C)(C)CC[C@@H](N)CC[C@H]1CCC(C)(C)C1	2304435688	JZZDTZKITZYJQY-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCC[C@](N)(CC[C@H]1CCC(C)(C)C1)C1CC1	2304437142	WCVGXEMUYOHAGA-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)CN(C)[C@@H]1CCCCC[C@H]1C	2307746596	GPKGYLYKKIIUKO-OWCLPIDISA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCCC(C)(C)C1	2307754864	FSQKIOGVUKQEKM-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CCC1CCCC1)NC	2307891594	DMOWRSWZAOOWQG-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1	2308127637	ZWDGFIQNTCJCMY-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H](C)c1ccc(N[C@@H]2CC[C@@]3(C)C[C@@H]23)cc1	2310550797	UGWHSJNNUFLMSK-ZFVVBOAOSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)[C@@H]1C[C@@H]2CC[C@H]1C2	2312898525	IIVCULOTYVZEHI-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@H](C)c1ccccc1	2315954403	QQMAUHVOEPGAKR-DOTOQJQBSA-N	247.426	4.724	0	10	BJAE	
CCC(C)=CC[C@](O)(CC)c1ccc(CC)cc1	2316542174	NGFRKUVITCXNCD-QGZVFWFLSA-N	246.394	4.593	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2317020966	MAMWRPSKRPPSTR-QMHWVQJVSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](N)CCC(C)(C)Cc1ccccc1	2317257505	VYGVUYDFWUBRHW-INIZCTEOSA-N	247.426	4.553	0	10	BJAE	
CCC[C@@H](O)CCCC(C)(C)Cc1ccccc1	2317258171	ZUOMFXCYRKRWAE-MRXNPFEDSA-N	248.410	4.587	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@H]2CCC(C)(C)C2)cc1C	2319080322	NZZATZJKLANVCO-ZBFHGGJFSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)[C@@H]2CC23CCCCC3)C1	2319112943	JMJYDVSGUQOJQX-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC1([C@@](C)(N)CC[C@H]2CC[C@@H]2C2CC2)CCCC1	2319752683	ZNEKNFWPCZWTRU-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CN(C)C[C@@H]2CCC(C)=C(C)C2)CC1	2320399241	VZBGWXPJWQGOPK-MRXNPFEDSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCC(C)(C)C(=O)C2)CC1	2320408310	JGBDFJHPIPABSW-CABCVRRESA-N	248.410	4.908	0	10	BJAE	
CCC1(C[C@@H](N)c2cccc(C(C)C)c2)CCC1	2320519604	ZDFCUGVZIXWOEY-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
Cc1cc(C)c(N[C@@H](CC2CC2)C2CC2)c(C)c1	2320615987	DENXOYYZDWNCLC-INIZCTEOSA-N	243.394	4.602	0	10	BJAE	
C[C@]1(N)C[C@H]2CC[C@H]1C[C@@H]2CCC1CCCCC1	2327770596	QYZNPZJDVXPMOP-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(NC[C@@]23CCC[C@H]2C3)c1F	2327781267	QDXFCBKQNRYUPL-LRDDRELGSA-N	247.357	4.551	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(CNC2CC2)CC=CCC1	2328082433	CEGBSFNPJQJMEA-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCC1CCCC1)c1ccc(C)cc1C	35468210	NKOOCOZDJRTUBK-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](c1ccccc1)C1CC1	37075035	GJUJCADKUHJZQC-RHSMWYFYSA-N	245.410	4.696	0	10	BJAE	
CC(C)(C)CC[C@H](N)c1cccc2ccccc12	54439032	JDTBIZLFONERMR-INIZCTEOSA-N	241.378	4.666	0	10	BJAE	
CC(C)(C)CC(=O)C[C@@H]1CCCc2ccccc21	68847917	PLLCIYWIEDJUHB-AWEZNQCLSA-N	244.378	4.502	0	10	BJAE	
CCCC[C@](CC)(CCC(C)(C)C)CNC	71127907	QPGPHFVVPATZLS-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CC1(C)CCC(NC2CCCCCCC2)CC1	79619834	AHHUWIGVTRKOEY-UHFFFAOYSA-N	237.431	4.658	0	10	BJAE	
CCCCC[C@H](CC)NCc1ccc(C)c(C)c1	83377769	PVYODPKAJXDQAO-KRWDZBQOSA-N	247.426	4.752	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCC[C@H](C(C)C)CC1	86946065	AAAPCTQLBOZCMY-HRCADAONSA-N	239.447	4.760	0	10	BJAE	
CCCCCC[C@@]1(O)CCC[C@H](C(C)C)CC1	87187597	DIAJIBVFIZWEMT-JKSUJKDBSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(C)C1CCC(CNC(C)(C)C)CC1	89556706	RJPQGYYROYLYHZ-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H](C[C@H](C)CC)c1cccc(C)c1	93127090	OOZVCISYIUGARJ-PBHICJAKSA-N	247.426	4.514	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1/C(C)=C/CCNC(C)C	93675484	UAUKORZXWYFLNY-IYSULOHHSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C[C@H]1N[C@H]1CCCC[C@@H]1C1CCCCC1	103990760	LNBDBCVHKPODOP-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
Cc1cc(-c2c(C)c(C)cc(C)c2C)c(N)s1	105554932	QCRIHAVZQZCCIG-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)c1cccc(C)c1	109725834	RLQQCQVKRIMSAC-PBHICJAKSA-N	247.426	4.862	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1ccc(C(C)C)cc1	112885153	CAANNNFANYIQGF-CJNGLKHVSA-N	234.383	4.670	0	10	BJAE	
CCC(CC)C[C@@H](N)C1CCCCCCC1	128224572	ZXIZJVYEZJDJMO-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](CC1CCCCCC1)NC	162095376	JDVPXGZEUSEFFU-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(C(=O)CCC2CCCCC2)c1C	165219678	DAAAZHXWHKOVAA-UHFFFAOYSA-N	244.378	4.847	0	10	BJAE	
CCN[C@@H]1CC[C@@H](CC)C[C@H]1CCCC(C)C	165491785	QDXTUKCUCSQXNQ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc([C@H](N)[C@@H]2CCCCC2(C)C)c1C	226828047	HOFXYAQFVOPDHO-HOTGVXAUSA-N	245.410	4.520	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H](CC)CCCC	228737298	RFGQSTUOHLDJFP-GJZGRUSLSA-N	227.436	4.891	0	10	BJAE	
CC(C)(C)C[C@H]1CNc2ccc(C(C)(C)C)cc21	232502048	NAMGDYLGWLLQRK-LBPRGKRZSA-N	245.410	4.929	0	10	BJAE	
CCC[C@H](C)Cc1c[nH]c2c(Cl)cccc12	233332765	OVZQWGUVSVYYLA-JTQLQIEISA-N	235.758	4.800	0	10	BJAE	
CCN[C@H](CC(CC)CC)C1(C)CCCCC1	233594196	MWRMBRBBITWULY-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C(C)C)[C@H]1CNc2c(Cl)cccc21	233992409	QWVUJBSLQLIDNV-ZYHUDNBSSA-N	237.774	4.531	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNc2ccccc2Cl)C1	235718299	YUHQLYHRUGNVFQ-DGCLKSJQSA-N	249.785	4.744	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1C[C@@H](C)CC[C@H]1C	250824240	MQXQJYVVECQMGR-XUWVNRHRSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1CCCCC[C@H]1NC	251410923	WYQMVNWWULKDJS-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H](C)c1cc(C)ccc1C	251836883	KXIXGIWTCZUETG-VBNZEHGJSA-N	247.426	4.779	0	10	BJAE	
CC(C)CCC[C@H]1C[C@@H](C)Nc2ccccc21	300115088	BMUXKNZQLMMAFZ-KGLIPLIRSA-N	231.383	4.801	0	10	BJAE	
CC(C)C[C@H](C)CNc1ccc(F)cc1Cl	300999232	WUSIPRISAPUBTJ-JTQLQIEISA-N	243.753	4.573	0	10	BJAE	
Cc1ccc2ccn(C[C@@H](C)CC(C)C)c2c1	302292150	GMRXEFZNOBEYBE-AWEZNQCLSA-N	229.367	4.632	0	10	BJAE	
Cc1cc(F)cc(N[C@@H](CCC(C)C)C2CC2)c1	302535703	SBDFZKYFELPFBS-INIZCTEOSA-N	249.373	4.761	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC(C1CCC1)C1CCC1	302665812	ZIEDCTAVIHUEHA-HNNXBMFYSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(C(=O)CCCC(C)(C)C)c1C	304133190	ARUIUCQPVWLFIG-UHFFFAOYSA-N	232.367	4.703	0	10	BJAE	
CCc1ccccc1O[C@H]1/C=C/CCCCC1	305919963	BMTHSWCHQZREQT-VQCVXAJWSA-N	230.351	4.517	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](CCCC(C)(C)C)C1	305962717	XDCKSOWFEZPUOC-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCc1c(Cl)ccc2scc(Cl)c12	306533363	CWJPFYZPMUGNOU-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
Cc1csc2c(Cl)ccc(C(F)F)c12	306616021	PRBBILYBTCNLCQ-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CCCC1([C@@H](CC2(C)CCCC2)NCC)CC1	310147645	LXEOEQPGQIYSSN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@]1(CC2CCC(C)(C)CC2)CCCN1	310457095	WYVKTZOEKOCNEX-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H]1N[C@@H]1CCCC[C@@H]1C1CCCCC1	310783388	PIVLMSJULSYRKV-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@]2(C3CC3)CCCCCN2)C1	310985135	KIFLCDPUDBGZBC-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](NCCCCC(C)C)C1CCCC1	313417333	WNEIWZJAEOUKEM-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C)c(N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1	315163382	LXYKCTYPHKBGKX-FXUDXRNXSA-N	243.394	4.540	0	10	BJAE	
CC[C@H](C)C[C@@H](CC/C=C\c1ccccc1)NC	324249832	HZFGAIPHLVKTSY-IKRCMPALSA-N	245.410	4.504	0	10	BJAE	
CN[C@H](c1ccc(C)c(C)c1)C(C)(C)C(C)(C)C	381036533	URWWJHWPIVUOQR-OAHLLOKOSA-N	247.426	4.636	0	10	BJAE	
Cc1cccc(C(=O)CCCCCC(C)C)c1	383106066	GRSYGUDUGUEBRS-UHFFFAOYSA-N	232.367	4.784	0	10	BJAE	
CCc1ccc([C@H](O)CCCCCC(C)C)cc1	383490901	GACZEZSRZUTBBF-QGZVFWFLSA-N	248.410	4.889	0	10	BJAE	
CCCN[C@H](C)/C(C)=C/[C@H](C)C1CCCCC1	383565921	BBORONQMOBGMLV-LTNMDHOVSA-N	237.431	4.537	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H]2C[C@H]2CC(C)C)c1	387887420	XVNAODOXPDJZCE-HZPDHXFCSA-N	244.378	4.504	0	10	BJAE	
CN[C@H](c1ccccc1C(C)C)[C@@H]1CCC[C@H]1C	394144367	NMWSPNYMSGIFMW-UNEWFSDZSA-N	245.410	4.507	0	10	BJAE	
CC(C)CCCCC[C@]1(C)CCCCCN1	394759028	KPJNLOSYVNMRJP-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCN[C@H](CCCCCC(C)C)[C@@H](C)C1CC1	394865216	OSKRWRDSHAJDGD-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCOc1csc2c(CC)ccc(Cl)c12	396194850	VMTNQTFGACFOPJ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1ccc(F)c2scc(C(F)F)c12	396198819	OGCXTEXTCIDPNM-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC(C)CNC[C@@H]1CCCC[C@@H]1CC1=CCCC1	400628868	KMIDHYQLGKTANZ-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
CC(C)NC[C@@]1(CC2=CCCC2)CCCC[C@H]1C	401086876	RYACHZKJDBRVHI-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)CCC(C)(C)C1CC1	406114100	NYMUPSYBVWRTCX-OAHLLOKOSA-N	246.394	4.553	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCCC1CCC1	688822410	XOKINXCMHZLYJR-OAHLLOKOSA-N	238.415	4.988	0	10	BJAE	
CCN[C@@H](c1cccc(C(C)C)c1)[C@@H](C)C1CC1	688914175	KMFJAZHOBUSUJT-SUMWQHHRSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(O)CC2CCCC2)C1	689766908	OATDRSDFKZLDRG-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](Nc1ccc(C2CCC2)cc1)C1CC1	690162348	UPOJFIMHXYDGRL-KRWDZBQOSA-N	243.394	4.945	0	10	BJAE	
CCc1ccc(N[C@H]2CCC[C@@H]3C[C@H]23)cc1Cl	691249353	AIIOGGFOFWJGFZ-ZLDLUXBVSA-N	249.785	4.503	0	10	BJAE	
Clc1ccc2oc(CC3CC=CC3)cc2c1	692112133	MPIQDKQREBWQSL-UHFFFAOYSA-N	232.710	4.595	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCC=C(C)C)NCC	697758190	GPWACFPSPWRAIL-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1(C(C)C)CC1	697830615	YCUNLBUQVJJEBK-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)[C@H](Nc1ccc(C2CCC2)cc1)C1CC1	705295770	FTICKFVYFHDIOE-KRWDZBQOSA-N	243.394	4.801	0	10	BJAE	
CC(C)[C@H](Nc1ccccc1C(C)(C)C)C1CC1	705312439	XVYQCDLYORXCTD-INIZCTEOSA-N	245.410	4.831	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNCC[C@H]2CC=CCC2)C1	706869137	NPGNTPHABHOLEE-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CCCC23CC3)cc1	707156455	KVMFCFRKBWHJFT-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@H](C)CC(C)(C)C)c1	708265093	UVKQQKRHKFECQR-CJNGLKHVSA-N	247.426	4.882	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H](C)CC(C)C	708316527	BMQAMUFEJTXDQC-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)[C@H]1CCCC2(CC2)C1	710238393	DAAHEMZOANRZCV-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@H](C)C(C)(C)C)C1(C)CCCC1	710833519	ZHRQSUHRXOALRP-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1[C@@H](N)C[C@@H](CC)C(C)(C)C	711117452	GEIANYARROFXFJ-ZBFHGGJFSA-N	247.426	4.711	0	10	BJAE	
CC[C@@H](C[C@H](O)CCC1CCCC1)C(C)(C)C	711182685	UGDMJBWJOIVUIA-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C[C@@H](O)C[C@@H](C)C1CCC1)C(C)(C)C	711209037	BGOPTWPIWBPCBY-YUELXQCFSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(Cl)c(NCC(C)(C)C(C)C)c1	713127993	AJUSOXBTHZCADD-UHFFFAOYSA-N	239.790	4.743	0	10	BJAE	
CCN[C@H](CC(C)(C)C(C)C)[C@H](C)CC(C)C	713143597	NJTMCLQFPZTIBN-HUUCEWRRSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@@H]1CCC[C@H]1C	713221910	NDUVWZVZVAKKDD-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1cscc1C(F)F	717194356	SUIXXUPGZBTUKT-KCJUWKMLSA-N	247.354	4.512	0	10	BJAE	
CC(C)=C(C)CCSC(=N)Nc1ccccc1	718629437	RRURWFJKHVXZFV-UHFFFAOYSA-N	248.395	4.513	0	10	BJAE	
CC(C)=C(C)CCNc1cc(F)ccc1Cl	718644001	PAQRJFCBJWOXMX-UHFFFAOYSA-N	241.737	4.637	0	10	BJAE	
CCCN[C@H](C(C)C)[C@H]1CCCCCC1(C)C	719221945	VGINJOWFSCKELA-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCCCC2(C)C)c1F	719260609	NIMHFESBOROYCI-CQSZACIVSA-N	249.373	4.905	0	10	BJAE	
CC1(C)CCC(C[C@H](O)CCCC2CC2)CC1	720161556	REWLHMNUWIJZIM-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	723123930	MMLBQOIYPSUXHB-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H](SCC(C)C)c1ccccc1	1164518307	HKWYSSNGPCEAJL-ZDUSSCGKSA-N	208.370	4.527	0	10	BJAE	
CC(C)[C@H]1CCCN(CCC2=CCCCC2)CC1	1191056677	FQTWTCMRURJLHF-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
C1CCCC2(CC1)CCCCN2CCC1CCC1	1460959984	SYLYCKZEQMMEKJ-UHFFFAOYSA-N	249.442	4.756	0	10	BJAE	
CC[C@H](C)CS[C@H](C)c1ccc(F)cc1F	1643784860	ASDUGSNOPZUMPR-VHSXEESVSA-N	244.350	4.805	0	10	BJAE	
C1=CCC[C@@H](CNCC2CCCCCC2)CCC1	1658131193	OBWMPMWGHLUBQP-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC(C)CCCc1sccc1C1CC1	1889459813	AAIOASGQWNNANR-UHFFFAOYSA-N	208.370	4.604	0	10	BJAE	
CCC(CC)CCC[C@@H](NC)c1cccs1	1900696628	KYFAPLQRPQCNCY-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H]1CCC(C)(C)C1	1902272675	WMSCQSIJKJTAAR-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCCC(=O)CC[C@@H]1CCC(C)=C(C)C1	1902828453	MLPRKUCYUNLTFU-AWEZNQCLSA-N	222.372	4.662	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(O)CCCC(C)C	1905375652	YMWAXRUDLHWWJC-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)C(C)(C)CC	1905443416	HTAJUAORAQVJAI-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@H]1C)CC(CC)CC	1910139043	AIEPNOKEYUMSNY-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
O[C@@H]1CCCCCCCC[C@H]1CC1=CCCC1	1913430753	OJJOEQNNKCDYLC-JKSUJKDBSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC[C@]1(O)CCC2(CCCCC2)C1	1915851237	DCKGKUXFAQRDNE-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@]1(CNC(C)(C)C)C=CCC1	1916357403	VEKURTIBSUULDT-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)C[C@](C)(O)c1ccc(CC(C)C)cc1	1919642994	AGHMIAROZNVRAI-YOEHRIQHSA-N	248.410	4.529	0	10	BJAE	
CC1(C[C@](C)(CN)C2CCCCC2)CCCC1	1924098843	HZZIZYXSIJCTPO-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CNC[C@]1(C[C@H]2C=CCCCC2)CCCC[C@@H]1C	1925803691	VBSCYDKFDQDREY-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)c2cccs2)CC1	1939901851	YHAXELOHQQOLNT-LLVKDONJSA-N	236.380	4.537	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCC[C@H](C)CC1	1939904613	YOOCDTFZMYWGMN-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1CC[C@@H]2C[C@@H]2C1	1940591810	SVNUQACQDFLZLX-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)C[C@H](C)C(C)(C)C	1940794169	AWQFERLTKDOHJE-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)CCC[C@@H]1CC1(C)C	1940875023	WODPSRVHVZNFSA-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCCC2(C)CC2)C1	1940883546	UXHRKFDWLHPZRX-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H](C(=O)c1ccc(CC)cc1)C(C)C	1941265801	YHPPTYPVKHLHBS-OAHLLOKOSA-N	232.367	4.504	0	10	BJAE	
CC(C)CCCCC[C@@H](CNC(C)C)C1CC1	1942092707	HQLJVGRABNDCRU-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@H]1CCC(C)(C)C1	1945581901	IWMUUCMBTKGIOE-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCC1)C(C)(CC)CC	1947592855	MWRBBRSWHLRPJX-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CC(NCC2(C)CCCCCC2)C1	1948398437	RECYZLIXMCMNQM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CC[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	1948587441	RZYIJCFUMBZABA-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H](CC)CC(F)F	1948851187	YIGXUIDVRITWFU-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CCC(C)(C)[C@@]1(N)CCC[C@H](C(C)(C)C)CC1	1949085735	JEYFYLSARIGZID-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCCCc1nc(C(C)(C)CC)cs1	1959238849	YDJVMDXMNMSFSZ-UHFFFAOYSA-N	225.401	4.563	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCC(C(C)(C)C)CC1	1962911615	BLFZSTZVFHVVAY-CQSZACIVSA-N	239.447	4.569	0	10	BJAE	
C1CCCC(CN[C@H]2C[C@H]2C2CCCC2)CCC1	1966023612	UTRJIZOTXWVMOB-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1NC[C@@H]1C=CCCC1	1966151384	LPQFSBOVYMWQCM-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](CCN2CCCCC23CCC3)C1	1966233466	YSZSLNTWASYSIO-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
Cc1cccc(OC[C@H]2CCCC(C)(C)C2)c1C	1968363635	CUEYQQJEIVDNEU-HNNXBMFYSA-N	246.394	4.899	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@H]1N[C@@H]1CCCCC12CCC2	1972821087	ZESNSOQOYZEYNU-QKPAOTATSA-N	249.442	4.514	0	10	BJAE	
CC(C)CC[C@@H](C)NC1(C)CCCCCC1	1975471793	WFZGZBDXFQFQLV-CQSZACIVSA-N	225.420	4.514	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1C=CCCCC1	1976002982	HLBCAQMELMPNRO-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
Cc1ccc(C2CC=CC2)c2ccccc12	1981969510	KIRFCNOHBNTCMQ-UHFFFAOYSA-N	208.304	4.582	0	10	BJAE	
C1=CCC(c2ccc(C3CCCC3)cc2)C1	1981976018	JHZSSBOWHUVFDX-UHFFFAOYSA-N	212.336	4.778	0	10	BJAE	
CCCCCC1CC(N[C@@H](CC)CCC)C1	1984693053	YBUKLUHZDLVBLZ-SLTAFYQDSA-N	225.420	4.514	0	10	BJAE	
CCCC1(C[C@H](O)C(C)(C)CCC)CCC1	1988457267	LEFMEJNCSJYOMR-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
Cc1ccc(N[C@H]2C=CCCCC2)c(Cl)c1	1990969328	RPSXVGXRXBZUPE-LBPRGKRZSA-N	235.758	4.559	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](O)C2(C)CCCCCC2)C1	1996270396	OCGLWNYMTHRVLZ-ILXRZTDVSA-N	238.415	4.534	0	10	BJAE	
C=CC=CCC[C@H](NCC)c1cc(C)sc1C	2000383890	BWPWJYBIYOMCSF-HNNXBMFYSA-N	249.423	4.538	0	10	BJAE	
CCCC[C@@](CC)(CNC)C[C@H]1C=CCCC1	2000505099	NULCLYQXMJPIJQ-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](C)(CC=C(C)C)CNCC(C)C	2000516374	WMYFHHUQACMOQW-INIZCTEOSA-N	239.447	4.785	0	10	BJAE	
CCC(CC)N(CC(C)C)C1CCCCCC1	2000902686	KEUIZOJEFAQIDN-UHFFFAOYSA-N	239.447	4.856	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002221000	PGFXFWVIUNTEJH-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C(C)(C)C(C)(C)C)C1	2002320309	KGOFQBUMJYHCME-UHFFFAOYSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCC(=O)C[C@@]1(C)CCCCC1(F)F	2002594081	OOLXTBRPVHSOCS-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1CCC2(CC2)C1	2003277194	HNLFQYGUEVQLLX-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CCC[C@@H](N)c1ccc(C)cc1	2003628683	PRWKMYPTWREMIA-OAHLLOKOSA-N	233.399	4.601	0	10	BJAE	
CCCCC1CCC([C@@H](O)CC=C(C)C)CC1	2004232933	WLIBOYZPKCAIQZ-GPANFISMSA-N	238.415	4.700	0	10	BJAE	
Cc1ccc(C(=O)C2(C)CCCCCCC2)o1	2004941435	HDJRFCHVCFPQKT-UHFFFAOYSA-N	234.339	4.521	0	10	BJAE	
CCC(C)(CC)[C@@H](O)[C@H]1CCCCC12CCC2	2005592288	PDROGHKYDZPHPH-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1(C)CCC(C)(C)CC1	2007684153	ZNXGWWBTCDGTKN-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CC=CCCC[C@]1(O)CCC[C@H](CCC)CC1	2009591693	IZAICHUDSDSNEK-HOTGVXAUSA-N	238.415	4.844	0	10	BJAE	
CC=CCCC[C@@H](NCC)[C@H](CC)CC(C)C	2009628568	NSMBTMPMIVKDST-HZPDHXFCSA-N	239.447	4.783	0	10	BJAE	
CCCCCC1CC(NC2CCC(C)CC2)C1	2009715729	IYXMHYHPYKOOGN-UHFFFAOYSA-N	237.431	4.514	0	10	BJAE	
CCCCC1CC(N[C@@H](C)[C@@H](C)CC(C)C)C1	2009716719	YGEHTCOTTVHCBC-FXQLRMTLSA-N	239.447	4.616	0	10	BJAE	
CCCCCC1CC([C@H](NCCC)C(C)C)C1	2009804772	PAJWWCOLEUCDHD-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCCN[C@@H](C)C1CCC(CC)CC1	2011435468	MIHDJSYRVMIKHO-DBOOGZNSSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](CC=C(C)C)(CNC(C)(C)C)C(C)C	2012440001	MDUXBIJTWIBSHJ-MRXNPFEDSA-N	239.447	4.783	0	10	BJAE	
CCCCCC[C@H](O)[C@@]1(C)CCCC(F)(F)C1	2014965154	DQWRTELVHNKWFT-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCCC(C)(C)[C@H](N)CCC(C(C)C)C(C)C	2015344481	KHCAMHITWHJAAH-OAHLLOKOSA-N	241.463	4.848	0	10	BJAE	
CC(C)C(CC[C@@]1(N)CCC[C@H](C)C1)C(C)C	2015348436	WEVWUKVWRIYRFS-HOCLYGCPSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@](C)(CNC(C)(C)C)C[C@H](C)C(C)C	2015398425	LPBMJBVUDRQKJG-GOEBONIOSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CNC(C)C)CC(C(C)C)C(C)C	2015409758	ARYQVDUKCVHNFC-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)C[C@@H]1CCCCCCCC[C@@H]1N	2015410450	VJYKWLJUMRGVHG-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CCNC[C@@H](CC(C)C)CC(C(C)C)C(C)C	2015413574	WCDWLDYIBPOOJX-HNNXBMFYSA-N	241.463	4.577	0	10	BJAE	
CCCC1(C[C@@H](O)[C@H]2CCCC2(C)C)CCC1	2015631387	FUBPXXOYZHCJEK-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C1(C[C@H](O)CCCC2CC2)CCC1	2017117329	ULZPOHSVRRRDQV-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@]1(C)CCCC(C)(C)C1	2017623399	PTNWYOUQXJTRFT-GDBMZVCRSA-N	239.447	4.760	0	10	BJAE	
CCCC1CCC(C[C@@](C)(O)CC(C)C)CC1	2017650433	GZVUTMOLIJGEJO-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@H]1CC[C@H](CCC)CC1	2017654600	FQUANQXGQJMLSL-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@H](C)C(C)C)CC1	2017663213	PXJQCPMXYQMWOQ-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CC[C@H](C)CC2)C1	2017722708	RDRGVANJXIEQEF-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@](N)(CC)C[C@H]1CC[C@H](CCC)CC1	2017730617	JCHNHIKWWHCLPC-JYJNAYRXSA-N	239.447	4.891	0	10	BJAE	
CCCC1(CC(=O)[C@H]2CC(C)=C[C@H](C)C2)CC1	2018956539	LTNRZZVMXVCNQN-GXTWGEPZSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)C1(CC)CCC1	2018993071	ZJGOGCRGMCTRGJ-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCCC1(CC)CC	2019200387	OMPWFKAQWWVPBI-CABCVRRESA-N	237.431	4.610	0	10	BJAE	
CCCC1(CN(C)CCCC(C)(C)C)CCC1	2019328500	RPGGZHXHVSCNEJ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CC[C@@H](C)[C@H](C)N(C)CC1(C(C)(C)C)CCC1	2019387008	SQEAXTARAVFDIB-KGLIPLIRSA-N	239.447	4.569	0	10	BJAE	
CCCNCC(CC)(CC)CC(F)=C1CCC1	2023194835	GQJYOUKKBTZBMJ-UHFFFAOYSA-N	241.394	4.590	0	10	BJAE	
CCN[C@H](CC=C(C)C)c1sccc1C1CC1	2023325836	AGAHIACAZZJCQR-CQSZACIVSA-N	249.423	4.632	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@@H]1CCCC(C)(C)C1	2024102935	XGGDUQFYGWRDCV-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@@H]1CCCC(C)(C)C1	2024124679	OFNKHWLBONUWNL-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CCCC1CCC1	2026165872	FOUSDACRTHKPCA-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](c2nc(C3CCC3)cs2)C1	2026545310	WYJRIYJWGCJIQB-PJXYFTJBSA-N	249.423	4.950	0	10	BJAE	
Cc1cccc(OC2CCC(C(C)(C)C)CC2)c1	2028125316	MZAZOAGNCCZETG-UHFFFAOYSA-N	246.394	4.979	0	10	BJAE	
CCC[C@@](N)(c1cccc(C2CC2)c1)C(C)(C)C	2028552359	ONBNQUQIZVRQHL-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CCCN[C@H](CCC)c1cccc(C2(C)CC2)c1	2028552567	QKZXBBCCWJOTIJ-MRXNPFEDSA-N	245.410	4.579	0	10	BJAE	
CC(C)C(C(=O)c1cccc(C2CC2)c1)C(C)C	2028557769	QGZPRMGPPWNFBI-UHFFFAOYSA-N	244.378	4.675	0	10	BJAE	
Cc1cccc2c1ccn2CCCCCC1CC1	2028633626	KIQCKEDIRDKYSV-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1Nc2ccccc2C[C@@H]1C	2029837155	NHCZMSPKKUHJRZ-GRDNDAEWSA-N	245.410	4.732	0	10	BJAE	
CCc1ccc([C@@](C)(O)[C@@H](C)CCC(C)C)cc1	2029838154	RHZJUIQCZQKHIW-YOEHRIQHSA-N	248.410	4.529	0	10	BJAE	
Cc1ccc(C(=O)C(C)(C)C2CCCCC2)cc1	2032306631	RSPUOSYQNCGCAJ-UHFFFAOYSA-N	244.378	4.784	0	10	BJAE	
C[C@H]1CCC[C@@H]1C[C@H]1C[C@@H](C)Nc2ccccc21	2032516255	XYJBIALGXWHPEI-GBJTYRQASA-N	243.394	4.801	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@H](C[C@@H]2C=CCCC2)C1	2035596506	CHZZOIBOXYTXAI-VQHPVUNQSA-N	249.442	4.524	0	10	BJAE	
CN(CCCC1(C)CC1)[C@@H]1CCC2(CCCC2)C1	2036771119	LEXHYEHTXBOUGD-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCCCCC[C@@H](N)c1c(C)oc2ccccc12	2037099491	UJGQFPWTNDAEQN-CQSZACIVSA-N	245.366	4.711	0	10	BJAE	
CCCCC[C@](C)(N)CCC=Cc1ccccc1	2037115450	MODZDNHYLXGSFS-KRWDZBQOSA-N	245.410	4.778	0	10	BJAE	
CC[C@@H](CC1CC1)NCC1(C2CCCCC2)CC1	2038361551	YLOMOEBYQAAZRN-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)c2ccc(C)cc2)CC1	2041383114	LLZYUVQDVOQTEQ-CABCVRRESA-N	244.378	4.784	0	10	BJAE	
CCCNC[C@]1(C2CCC(C)CC2)CC=CCC1	2042091250	JSIIFYOAPWHLHS-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
Cc1cccc2c1ccn2[C@@H]1CCCC(F)(F)C1	2045450504	PQBXIPHMAMBAOV-GFCCVEGCSA-N	249.304	4.700	0	10	BJAE	
CC1(C)CCC[C@@H](n2ccc3cc(F)ccc32)C1	2045454260	HJLYILPBTYEWDG-CQSZACIVSA-N	245.341	4.922	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)C[C@H](C)c1ccccc1	2045557278	MPBYBVRDKNVLJG-GJZGRUSLSA-N	246.394	4.822	0	10	BJAE	
CN[C@@H](CCCC(C)C)C[C@@H](C)c1ccccc1	2045628078	ACPJEYUZHJHRAE-WBVHZDCISA-N	247.426	4.595	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@H]1C(C)=CCC[C@H]1C	2045747985	JHIZZYOUNCWZSG-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2046489020	VBZHIASGPOZZRX-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C[C@@H]1[C@H]2CCCC[C@H]21	2048439711	OLVANGWVSOVSRO-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](CN)(CCC2=CCCCC2)C1	2049498249	JXEOFBGYALTJPB-KRWDZBQOSA-N	249.442	4.812	0	10	BJAE	
C1CCCCC(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1	2049681752	PIAMJENSBARPSH-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1[C@H](N)C[C@@H]1CCCC2(CC2)C1	2049858501	VJOFZXKPANITMY-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
Cc1cc2ccccc2n1C[C@H]1CCC2(CC2)C1	2049953564	GHAZBPFEVZHTAI-AWEZNQCLSA-N	239.362	4.530	0	10	BJAE	
CN[C@H](CCCC(C)=C(C)C)c1ccc(F)cc1	2050493169	VKHSBZPTKPMUEF-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1C(C)=CCC[C@@H]1C	2051405572	DXEDNCSKFKMHDI-GVDBMIGSSA-N	249.442	4.703	0	10	BJAE	
CCc1ccc(CC)c(N[C@@H](C)C2(C)CCC2)c1	2052353597	RLPYVSTVXDSENL-ZDUSSCGKSA-N	245.410	4.802	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@]1(CN)CCCCC12CCC2	2053421107	QEAWTVRZQUGNOX-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](C)[C@@H](C)[C@H](N)c1ccccc1C(C)(C)C	2053925234	QTZCFMSKZQXQRB-IOASZLSFSA-N	247.426	4.666	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	2055671292	GTPYTEYIMKIHQZ-QSPRXWTASA-N	249.442	4.536	0	10	BJAE	
CC1CCC(C)(CNC[C@@H]2C=CCCCC2)CC1	2056539610	NHKOLNCDQHOTBJ-AQFXKWCLSA-N	249.442	4.539	0	10	BJAE	
CCC1CC(C[C@H](N)c2ccccc2C(C)C)C1	2056645963	QCWDASGYGMCSFH-KVULBXGLSA-N	245.410	4.636	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1CCCC2(CC2)C1	2059261120	BXWJJXHAJLZFAW-CFSAUIFESA-N	249.442	4.681	0	10	BJAE	
CCC1CCC(N)(C2=CC[C@@H](C(C)C)CC2)CC1	2061121805	JQCAEUKWBUFOEA-ISXOHVOVSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H]1CCCC[C@@H]1C1=CC[C@H](CC)CC1	2061148621	WHZOGYFQEOHYAA-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CC[C@@](N)(C[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCC1	2063491354	QZQMSFDMCOVPOZ-JYYAWHABSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC=C[C@@](N)(C[C@@H]2CCC=CCCC2)C1	2063650607	VHSAQASPHCKXCB-NVXWUHKLSA-N	247.426	4.587	0	10	BJAE	
N[C@H]1CCCCCC[C@@H]1CC12CCC(CC1)CC2	2065331944	AHKPQCHVJQGVEV-GMRIPVOYSA-N	249.442	4.645	0	10	BJAE	
CCCC1(CC[C@H](N)c2ccc(C)cc2)CCC1	2069342033	LEWYQVSOZJJQEV-INIZCTEOSA-N	245.410	4.745	0	10	BJAE	
CC(C)(C)c1ccccc1OC[C@@]12CCC[C@H]1C2	2070918336	PDVRIKJMZNAVGK-GUYCJALGSA-N	244.378	4.553	0	10	BJAE	
CCCCCC1CC(N[C@H]2CC[C@@H]2C2CCC2)C1	2071794385	NATXGEJOUKTAHD-BNICSPFPSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CC[C@@H]1C[C@@H]1C)c1cccc(C(C)C)c1	2072090770	KTVKQLSRBJHWQP-YSVLISHTSA-N	245.410	4.507	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](N)c2ccccc2C)CC1	2072800503	FCHDEXCEWRADNI-BFYDXBDKSA-N	245.410	4.601	0	10	BJAE	
CCC(C)(C)[C@@H](C)N(C)Cc1cc(C)cc(C)c1	2074920206	CHIXJIXFLYBVKW-OAHLLOKOSA-N	247.426	4.560	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2C[C@H]2C2CC2)cc1	2079330819	AGDDLFGOJHSSHH-MJEQTWJJSA-N	244.378	4.625	0	10	BJAE	
N[C@H](CC1CCCC1)[C@H]1C[C@@H]1C1CCCCCC1	2079426638	CDWJISALEPKGFX-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@H]1C[C@H]1C1CCCCCC1)C1CCCC1	2079531424	TZOBQPDPWOWIAH-JQFCIGGWSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2C[C@H]2C2CCCC2)CC1	2079659900	JHYDVNOHCUGVBN-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1COc1cc(C(C)C)ccc1C	2079811272	PARPUPZBJKVYIY-JKSUJKDBSA-N	246.394	4.933	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@H]1C[C@H]1C(C)(C)C	2079819511	NQCMZPNMUFRYKU-DZGCQCFKSA-N	241.378	4.632	0	10	BJAE	
CC1(C)CCC[C@H](C[C@](N)(C2CCC2)C2CC2)C1	2082974520	ADLPYPGFHDRYFL-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@H](CC2CC(C)(C)CC(C)(C)C2)[C@@H]1N	2082989207	ZDLZUPBSGPBEDL-HUUCEWRRSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC(=O)[C@H]([C@H]2CCC3(CCCC3)C2)C1	2083031107	AXILIYSOOTUMIQ-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCCCCCc1ccc([C@@H](N)CCC)s1	2210516418	DHACMYAMXZCUBG-ZDUSSCGKSA-N	239.428	4.671	0	10	BJAE	
Cc1csc(C(=O)C[C@@H](C)C(C)(C)C)c1C	2210568049	RKFHVPBEOSTSIQ-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCC1CC(F)C1	2215050607	NAWONDCHNKVQGO-HSBZDZAISA-N	242.378	4.690	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC2(C)CC(C)(C)C2)C1	2215434351	QTLHHUULBVVTOU-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC1=CC[C@@](C)([C@@H](N)c2sc(C)cc2C)CC1	2215819767	YPKDTHAIZRRYNQ-LSDHHAIUSA-N	249.423	4.501	0	10	BJAE	
Cc1cn(CCCCCCCC2CC2)cc1C	2216880154	QWNUTMBLWWZIIJ-UHFFFAOYSA-N	233.399	4.856	0	10	BJAE	
CCC(CC)[C@@]1(CN[C@H](C)CC)CC=CCC1	2217152143	BLZMWVPXIDNWQD-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(CCC(C)(C)C)CC1(C)C	2217152906	IHQKSNHUGKAOQK-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC2(CCCN2CC2=CCCC2)CC1	2218016747	FLEMKAHHGDFSMM-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
C[C@H]1CCCC(=O)[C@@H]1CC1C[C@H]2CCC[C@H](C1)C2	2218327782	MZBDQQHIMQCOBT-RZLSGREXSA-N	248.410	4.598	0	10	BJAE	
O=C(CC1CCCC1)CC1C[C@H]2CCC[C@H](C1)C2	2218331354	JVIRLJZYTVXWET-GJZGRUSLSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218337733	FOJLYQLRGHHMBO-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
CCNCC1(CCCCCCC2CC2)CC=CC1	2218727425	VDOKPUZXWPZZSH-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](O)CC=Cc1ccccc1	2219067487	XAULXIMMGORCGU-IRXDYDNUSA-N	246.394	4.523	0	10	BJAE	
CCCC(C)(C)[C@@H](C/C=C/c1ccccc1)NC	2219084009	XQYMBSHEKJLWKP-ONOODXEBSA-N	245.410	4.504	0	10	BJAE	
NC1(CCCCC2CC2)CCC(C2CCC2)CC1	2220026931	DERZCYPCELEOFK-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCC1[C@H]2CCCCC[C@H]12)C1CCCCC1	2220298652	JZXRTOWYKSIJDB-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](N[C@@H]2CCC3(CC3)C2)C1	2222257646	KZAQOFVDAMWTJX-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CCCCC2)C=CCCC1	2223541125	FVWGIDSUIXLBJL-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CNC1CCC1)CC1CCCC1	2223542891	UYTGOGQITASBNL-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@]1(CNC2CCC2)CCCC12CCC2	2223543205	XJYYSAQTWHTWQZ-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CNC2CCC2)CC=CCC1	2223597583	SGPVGJBQYFLKCR-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)c1ccc2occc2c1	2224156083	IFUMZVJXLBVOKE-CQSZACIVSA-N	245.366	4.649	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)c1cccc2ccoc12	2224195384	CLXUZDTYJRFPRZ-UKRRQHHQSA-N	246.350	4.539	0	10	BJAE	
CC1(C)CCC(C)(C)C(=CBr)C1	2242257442	XEOYSCBABYXVFW-UHFFFAOYSA-N	231.177	4.502	0	10	BJAE	
CCCC[C@H](O)CC[C@H](C)CCCC(C)C	2244841442	OZJXKQNUMDUABI-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CC1CC(C)(C[C@@H](O)C2CCCCCCC2)C1	2246502692	KFEUDXZZMISJDE-OGVSOVDVSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CCCC[C@H]1C[C@@H]1C	2247159486	NMAJNRLPVFUJPQ-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@H]1CNc1cccc2ccsc12	2247389078	YZLRCIYGLVEEGC-LBPRGKRZSA-N	245.391	4.749	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)C(C)(C)C(C)(C)C	2247501336	JCFWROFEKVZVFT-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCC(=O)CC[C@H]1CCCC12CC2	2247637146	RLYHLVMCESDBEV-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](O)CCCC1CC1	2248879269	LVFXLBXOAFVCDS-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](O)CCCC1CC1	2248879270	LVFXLBXOAFVCDS-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@@H](CC)CCC	2250359828	FPMFEHQLQPYTBB-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CNC1CCC2(CCC2)CC1	2250379872	VSVQJKOJCTUUBY-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCCCC[C@@H]1C[C@H]1C	2250407996	AIAAPVGDXJLBFE-QXSJWSMHSA-N	239.447	4.747	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)[C@H](N)C(C)C	2250469605	QGUUVKFPPGVLTF-ARFHVFGLSA-N	241.463	4.848	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(N)CC12CCC2	2250475767	MBDRJIWBQVCIEE-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
Cc1csc(C(=O)[C@@]23CCCC[C@H]2CC3)c1C	2251110214	GERAALYBADFIIQ-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)CCC1CC(C)C1	2251752321	FOMCJLWEKUJANA-GPANFISMSA-N	237.431	4.537	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C[C@@H]1CCCCC12CC2	2253805645	LNQXNYNWQVWFLL-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(OCC[C@H]2CCCCC23CC3)cc1	2253815005	VUVYLZTVSFDWEA-OAHLLOKOSA-N	244.378	4.734	0	10	BJAE	
CC(C)(C1CC1)[C@@H](N)CC[C@@H]1CCCCC12CC2	2253823892	PDMKFDIPZBLAOA-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H]1CCCCC12CC2)C1CCCC1	2253853389	LFMCSAFWWJKDBW-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](c1ccccc1)N(C)CCCC[C@H]1C[C@H]1C	2254584827	MANTWYMZCUOWLC-VYDXJSESSA-N	245.410	4.506	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCNC[C@@]1(C)C=CCCC1	2257362633	TVBFUBAVQAXLGM-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H](Nc2cccc(C(C)(C)C)c2)C1	2257944148	FJJBSASBIFEBST-HIFRSBDPSA-N	245.410	4.975	0	10	BJAE	
C[C@@H](Nc1cccc(C(C)(C)C)c1)[C@@H]1CC1(C)C	2257961363	MALADCOQVLKDAJ-DOMZBBRYSA-N	245.410	4.831	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@@]12CCCC[C@@H]1CC2	2260487147	FDVWKIHCDWOGCD-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
O=C(CC[C@@]12CCC[C@@H]1CC2)CC1CCCCC1	2260574579	NPXWZHSIFQGAFZ-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
C[C@](N)(C[C@@]12CCCC[C@@H]1CC2)C1CCCCC1	2260681821	DURSRXRYGXSVOY-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H](C)C(=O)c1cccc(C2CCCC2)c1	2260727321	NXRQNLLJZGFHTA-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CC[C@@H]1C[C@@H]1CC	2298126849	HZRSRJVGUTVUHP-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CCC(C)=CC[C@H]1CCOC2(CCCCC2)C1	2300928800	JGCLDPAJPLNHLR-HNNXBMFYSA-N	236.399	4.862	0	10	BJAE	
CCCCC(=O)CC[C@H]1C[C@H]2C=C[C@H]1CCC2	2301331581	XCOGSCNTGRODAE-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC(C)NC[C@H]([C@@H](C)[C@@H](C)C(C)C)C(C)(C)C	2301830174	VPGLYHRWORJXNN-SOUVJXGZSA-N	241.463	4.575	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)n1ccc2cccc(F)c21	2301839244	XYDNGFQDSRZTDE-RYUDHWBXSA-N	233.330	4.634	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@@H](C)C(C)C	2301898960	DTZWXCONRRVSAY-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](c2nc(CCC3CC3)cs2)C1	2302264211	ACDNZHIUGMNJID-AAEUAGOBSA-N	249.423	4.779	0	10	BJAE	
O=C(CCCC1=CCCCC1)CCCC(F)F	2302295786	VLCFDAFTZDNNCD-UHFFFAOYSA-N	244.325	4.662	0	10	BJAE	
CC[C@@H]1CCCCN1CCCC1=CCCCC1	2302351842	MTSMNXQKXSGHDE-MRXNPFEDSA-N	235.415	4.532	0	10	BJAE	
CCN[C@H](CC)CCCCCC1=CCCCC1	2302357915	AMMFUXZVBAHBTD-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CCC[C@@H]1CCCN1CCCC1=CCCCC1	2302358762	JWBNPIMAVVWSNM-MRXNPFEDSA-N	235.415	4.532	0	10	BJAE	
C[C@H](CC[C@]1(C)CCCCN1)C1CCCCC1	2302539912	OUOQFOMFHRMRIO-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CCC[C@@H]1C[C@H]1C	2302608170	HRBJXHQYFLTUDJ-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)C[C@H]1CCC(C)(C)C1	2302720847	HVTAJLYTXXSFEG-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@H]1CCC(C)(C)C1	2302757882	HCDYRIOZKZNPIO-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1NC[C@H]1CC2CCC1CC2	2302884682	HVZXKGRETWBXAP-UXUKBGGZSA-N	249.423	4.549	0	10	BJAE	
CCC1CCC(N)(C[C@H]2CCC(C)(C)C2)CC1	2302902223	NRNVIVHWQZFNBK-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CCC[C@H]1CCC(C)=C(C)C1)NC	2303574825	DASGEFWBVHNDCE-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)CC(=O)CC[C@H]1CCC(C)(C)C1	2304438366	CDZSOEKZWTWIKL-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1C[C@H]2CC[C@H](C1)C2	2307761610	UQPHBCGPORPPBE-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)CC1(CNC)CCC(C)CC1	2307764520	YBFZELHEVJTWNY-HWOWSKLDSA-N	239.447	4.619	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@H](Nc1cccc(F)c1)C2	2308401486	WTFGLWCMLZFDKU-KCXAZCMYSA-N	247.357	4.597	0	10	BJAE	
C1CCC(CN[C@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2309184913	NXTKQDTUFMAGAT-ULQDDVLXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@](N)(C[C@@H]2C[C@H]2C2CCCCC2)C1	2311608593	QENFYKRRZLNMJN-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCC1)N(C)[C@@H]1CCC12CCCCC2	2313607737	FGBLRLOTOKTLFG-GOEBONIOSA-N	249.442	4.610	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1ccc(C)c(C)c1	2316503029	NMXRPSJNFLHZAX-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CC=CC[C@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2316509084	GDHWMKOZKPKWHQ-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2316874056	POXKHURBVMQHNB-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC(C)NCCC=CC[C@@H]1C[C@H]2CCC[C@H]1CC2	2316999505	TYAAGEUZGAYWRE-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc([C@@H](N)CCCC2=CCCCC2)o1	2318566343	WNTJYYDAWRHOOD-HNNXBMFYSA-N	247.382	4.513	0	10	BJAE	
Cc1c(F)cccc1NCCCC1=CCCCC1	2318573326	QKEHMMLDHCQQBO-UHFFFAOYSA-N	247.357	4.827	0	10	BJAE	
CCCN[C@@H](CCC)c1cc(F)ccc1C1CC1	2319175463	GOIKBWZQERLZMZ-INIZCTEOSA-N	249.373	4.544	0	10	BJAE	
CC1=C(C)C[C@@H](CN2CCC[C@H]2CC(C)C)CC1	2320338385	VCMBEBHQFVGWFQ-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](CNCCCC[C@H]2C[C@H]2C)CC1	2320373053	NKZLBIFULRTQGB-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H](C)C2CC(C)(C)C2)CC1	2320415910	FPNYUTSHDAIPCB-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CCNCCC2=CCCCC2)C1	2321612522	BYINPDZGIAAPTE-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC(C)CC12CC(C(=O)CCC3CCCC3)(C1)C2	2321634333	QPGUANBPUBLZQO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)[C@H]2CC[C@H](C)C2)c1	2327698605	DTYWAVSCICZDBP-JDFRZJQESA-N	245.410	4.554	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H](C)c1ccccc1	20547028	NCBUBINXFVJJNU-GJZGRUSLSA-N	233.399	4.552	0	10	BJAE	
CCC[C@H](C)CNc1cccc2ccccc12	20553353	RHSKOLLQJIIUSC-ZDUSSCGKSA-N	227.351	4.688	0	10	BJAE	
Cc1cccc(NC2[C@@H](C)CCC[C@@H]2C)c1C	21020317	ZHROPZIYGQEDAR-STQMWFEESA-N	231.383	4.540	0	10	BJAE	
CCN[C@H](c1c(C)c(C)cc(C)c1C)[C@H](C)CC	35547128	KXVXDQDJKSGJAZ-DIFFPNOSSA-N	247.426	4.617	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)c1ccc(C)cc1C	35579612	OOHMYDDJXAKKNG-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)c1cc(C)oc1C	36792504	RBCHPHVTAIZUTG-DGCLKSJQSA-N	237.387	4.516	0	10	BJAE	
CCCN[C@H](c1ccccc1C)C1CCCCC1	37535687	JKCUSUGFFLAJNM-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
Cc1ccc2[nH]c3c(c2c1)C[C@@H](C(C)(C)C)CC3	38213026	IELQIVXLZXOCEM-LBPRGKRZSA-N	241.378	4.627	0	10	BJAE	
C[C@@H](CNc1ccccc1)SC1CCCCC1	53623545	KVCTVZYXKBNDNR-ZDUSSCGKSA-N	249.423	4.553	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)[C@@H](C)C(C)C)cc1	70126071	BHZQVZFNYYYPTL-XEZPLFJOSA-N	234.383	4.526	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CCC)C(C)(C)C	71083939	PXLYRPSHIAGCGJ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C3CC3)C2)c(F)c1	81626636	KKHJPZHOOFCRKB-UONOGXRCSA-N	247.357	4.515	0	10	BJAE	
CCC[C@@H](C)C[C@]1(N)CCCC(C)(C)CC1	83435512	SATQPRXVSWQJCU-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](Oc2cccc3ccccc23)C1	85152075	HKVQHQHRTFPNQV-DZGCQCFKSA-N	240.346	4.797	0	10	BJAE	
CC1(C)CCCC[C@H]1Nc1ccc(Cl)cc1	86842503	GXPWPEXVESFQJK-CYBMUJFWSA-N	237.774	4.721	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(C2CCCCC2)CC1	86938525	BERUAXCHMAMJQS-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)CC1=C[C@@H](N)CC(C)(C)C1	87322956	ZTAWMAOBBVCTPF-DZGCQCFKSA-N	237.431	4.667	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)C2CCCC2)CC1	87976165	UUBZJYNUKWCRJL-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc([C@H](Nc2ccsc2)C2CC2)cc1	90866828	PGZHDIKSONPINP-HNNXBMFYSA-N	243.375	4.620	0	10	BJAE	
CCCC[C@@H](CC)C/C(C)=C/CCNCCC	93674966	ZEEPYDBBUBTEEG-AAGJOFLKSA-N	239.447	4.929	0	10	BJAE	
CC1=CC[C@@H]2C(C)=CC[C@H](C(C)C)[C@@H]2C1	100784267	USDOQCCMRDNVAH-KFWWJZLASA-N	204.357	4.581	0	10	BJAE	endogenous,in-man
CC(C)c1ccc(C(=O)[C@@H]2CCC[C@H](C)C2)cc1	103929382	DHRUXEFPMOOHFR-XJKSGUPXSA-N	244.378	4.819	0	10	BJAE	
CCc1ccc([C@H](C[C@@H](C)C(C)(C)C)NC)cc1	111647815	WTOUISAATILJFH-CJNGLKHVSA-N	247.426	4.582	0	10	BJAE	
CCCCCC[C@H](NC)c1sc(C)cc1C	133728490	XXZLVMGMYHHKQS-ZDUSSCGKSA-N	239.428	4.596	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](O)c2cc(C)cc(C)c2)C1	226984778	NWGHLCVHYXUPRR-ZMSDIMECSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CC[C@@H](O)c1ccccc1	227236921	OWBWNJGLODMOBE-BFYDXBDKSA-N	246.394	4.717	0	10	BJAE	
Cc1ccc(-c2ccccc2C2CCC2)c(N)c1	229616534	OWPONJXPEKMLSV-UHFFFAOYSA-N	237.346	4.512	0	10	BJAE	
c1ccc2c(c1)C[C@H](c1ccccc1C1CCC1)N2	229630547	FHCOBLJWXIZEQN-GOSISDBHSA-N	249.357	4.663	0	10	BJAE	
CC(C)=CCNc1cc(Cl)c(C)cc1Cl	232636990	ADZVOFDXDGVVAN-UHFFFAOYSA-N	244.165	4.680	0	10	BJAE	
CCC[C@@H](C)[C@](C)(O)c1cc2ccccc2s1	233283968	WFFMPIUPIQAJRI-ABAIWWIYSA-N	248.391	4.545	0	10	BJAE	
CCC[C@H](C)[C@H](NCC)[C@@H](CC)c1ccccc1	233350439	ZJQKSAKRDABKLP-XIRDDKMYSA-N	247.426	4.595	0	10	BJAE	
C[C@@H](c1c[nH]c2c(F)cc(F)cc12)C(C)(C)C	235231483	OCRVKBUXHDXXGU-QMMMGPOBSA-N	237.293	4.596	0	10	BJAE	
C[C@@H]([C@@H]1CNc2c(Cl)cccc21)C(C)(C)C	235281358	QMCDIPWJLSHIHU-ONGXEEELSA-N	237.774	4.531	0	10	BJAE	
CC[C@H](C)c1ccc(C(F)(F)C(C)C)cc1	259029501	RBEOLKXJNVEBCD-NSHDSACASA-N	226.310	4.948	0	10	BJAE	
CSc1sc2cccc(Cl)c2c1S	307715512	HTSGDFMTGYKBPJ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1ccccc1Cl	308061047	ZDRSVWCWTKQMAG-NSHDSACASA-N	238.758	4.595	0	10	BJAE	
CC[C@H](CC(C)C)c1nc2c([nH]1)C[C@@H](C)C[C@H]2C	308085102	FOPPUYNSONHIEW-YNEHKIRRSA-N	248.414	4.635	0	10	BJAE	
c1cc(N[C@H]2CCCCC23CCCC3)cs1	309213642	FBJYUSFOXITJJB-ZDUSSCGKSA-N	235.396	4.663	0	10	BJAE	
CCCCCC[C@@H](N)c1sc(C)cc1CC	309322859	HKMOTSWMKGIHRH-CYBMUJFWSA-N	239.428	4.589	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1CCC(C)CC1	309458927	QJQBRIWDZRFRSW-MOKVOYLWSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](C)NC[C@H](C)C1CCCCC1	310239885	IIUNBTFXSJBHOP-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@@H](C)CNC(C)(C)C)C1	310508920	LGDTXAHKRMLVAR-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(NC(C2CCC2)C2CCC2)ccc1F	310756430	XFULPDMLTSJYJF-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)C[C@H]1CCC[C@H](C)C1	310785540	STMWMSVUDLRBRV-VBNZEHGJSA-N	246.394	4.553	0	10	BJAE	
CCNCC1([C@@H]2C=CCCC2)CCCCCCC1	317450146	ZCIKHJPUQSPWRT-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CC[C@H](NCCCCCCC(C)C)[C@@H]1C[C@@H]1C	321123018	SGHPIBYZWWFNIO-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)c2ccccc2C(C)C)C1	381345577	LMCRKPKWDNIRKA-KEYYUXOJSA-N	245.410	4.636	0	10	BJAE	
C[C@@H](CC(=O)C1CCCCCC1)c1ccccc1	385120563	KBGXLZIXGIYOOC-AWEZNQCLSA-N	244.378	4.720	0	10	BJAE	
Cc1ccc(N)c(SCCC2=CCCCC2)c1	385257446	XWEQIRUGZJVPJW-UHFFFAOYSA-N	247.407	4.560	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1C=CCCCCC1	393941368	ZPMCNBYUWYRMET-JKSUJKDBSA-N	237.431	4.680	0	10	BJAE	
CCC(C)(C)CNc1cccc2ccccc12	394612985	TUGMKBHMZUFADR-UHFFFAOYSA-N	227.351	4.688	0	10	BJAE	
CCC(CC)(CC)CNCC(C)(C)CC(C)C	395111208	BYISWKZKHHVAMF-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
CCc1c(C)sc2c(C(F)F)cccc12	396193360	AFZJUNBRXYDVBE-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
COc1cc(Cl)c2c(C(F)F)csc2c1	396287824	KOKNDTAOZQZKON-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
C[C@@H](CC(=O)[C@@H](C)C(C)(C)C)C1CCCCC1	399145280	HKBUJYNIJIVPGR-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1cccc(C)c1F	401791782	GMATWXGBAAEVQZ-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
O=C(CCC1CCCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1	403349455	FLMFNKJLWCATHM-OAGGEKHMSA-N	248.410	4.742	0	10	BJAE	
CCCC1(CNc2ccc(C3CCC3)cc2)CC1	687545563	ZHGGIZVCGBOSJZ-UHFFFAOYSA-N	243.394	4.946	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1ccc(C2CC2)cc1	690077405	AAXFLBIXGUKQTA-WBMJQRKESA-N	229.367	4.555	0	10	BJAE	
CC(C)SCCNc1cccc(C2CCC2)c1	690134617	LWWKOLIBBDKEIZ-UHFFFAOYSA-N	249.423	4.508	0	10	BJAE	
CCNC[C@@]1(CCC=C(C)C)CCC[C@H](C)C1	698032115	JQEAGYRUADWPPP-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C1CCCCCCC1	701069371	OWRNWBMQFVWFKD-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)[C@H]1CCCC[C@H]1C	704795564	BREVXQCSHRPNJB-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
C[C@H](C[C@@]1(N)CC2CCC1CC2)C1CCCCC1	704886671	PJEGAGSHUZJNES-RKHAHWSXSA-N	249.442	4.501	0	10	BJAE	
CCC[C@](N)(c1ccccc1C(C)C)C(C)(C)C	704932413	YJSLYISUGBPFEG-KRWDZBQOSA-N	247.426	4.810	0	10	BJAE	
C[C@@H](C[C@]1(N)CCC12CCCC2)C1CCCCC1	705022485	BWZWPTHDMLQPDG-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CCCC23CC3)cc1	706593039	AOSINKPSVXFCOG-XJKSGUPXSA-N	243.394	4.945	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NCC[C@@H]1CC=CCC1	706891625	XGWSNWLGASTNOZ-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CCC(N)(C1CCC1)C1CCC1	707834819	KZQJJPXPZNIKAP-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)c1sccc1Cl	709249077	JSGOKPUXVIMGIS-MRVPVSSYSA-N	244.787	4.657	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)CC2CCC2)CC1	710273996	CJWXGYXAQXNFJC-LZWOXQAQSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](C[C@]1(O)CCC12CCCCC2)C(C)(C)C	710703684	PZYSCOJISLHRBU-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCC)CC[C@@H](C)C(C)(C)C	710734109	AJFUGODRGRAPIW-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@@H](NCCC)C12CCC(CC1)C2	710900620	BAUNDCBMFZYITA-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C[C@H](CC)C(C)(C)C)C1=CCCC1	711212714	KYZMLMOZHSEAMQ-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CC(C)(C)CC)CC1	713145293	IFPSOKITTHWPKG-HIFRSBDPSA-N	226.404	4.534	0	10	BJAE	
CCCNC[C@@H](CC(C)C)CC(C)(C)C(C)C	713221923	NKRZZQKSDGCHFN-HNNXBMFYSA-N	241.463	4.721	0	10	BJAE	
NCC1(CC[C@@H]2C[C@@H]2C2CC2)CCCCCCC1	714884534	VUKIGMRQVFQCTC-HZPDHXFCSA-N	249.442	4.502	0	10	BJAE	
CCCCC[C@@H]1CCC(C)(C)C[C@@H]1NCCC	717462515	HVGAULZYUIBHKH-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(O)CCCCCC2(C)C)C1	719275455	XGPBTKJYRXNJRH-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1cscc1C(F)F	720250896	NOHCLXXDZLWLLD-MRVPVSSYSA-N	246.322	4.695	0	10	BJAE	
CCCN[C@H](CCC1CCC1)C(C)(CC)CC	721774396	YMUBPMKNXJCQRE-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CCCC2(CC2)C1	723599395	KUMXZGFTXYOSHZ-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CC(C)(NCC1CC2(CCC2)C1)C1CCCCC1	1169770191	AIKDLSVARGGURW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(NC[C@H]2CCCC23CC3)CC1	1308891807	UCMDBTMURRVYAQ-QQFBHYJXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)N(Cc1ccccc1)CC(C)(C)C	1880409295	LHUYKSGZSQFWBC-OAHLLOKOSA-N	247.426	4.723	0	10	BJAE	
CCC(CC)CCC(=O)CC1CC(C)(C)C1	1900704874	TWDPYLCMICVHRD-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCNC[C@@H](CCC)C[C@@H](CC)CCC	1905368009	DCFSPCLQUZHOCQ-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
CCC(N)(CC)C[C@@H]1C[C@H]1C1CCCCCC1	1910744581	IUFAFURKQFZDKO-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCC[C@@H]1C[C@@H](CCC)CC[C@H]1CNC	1911998341	PAMIFNWIWPIOMD-BBWFWOEESA-N	249.442	4.561	0	10	BJAE	
O=C(CCC=Cc1ccccc1)C1CCCCC1	1912107529	FEKYEYABVVKJOQ-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
CC(C)=CCC[C@H]1CCCCCCCC[C@@H]1O	1913593533	LVXPAYYSNNIIMH-CVEARBPZSA-N	238.415	4.844	0	10	BJAE	
CCCC=CCNc1ccccc1C1(C)CC1	1914675978	OYVNYDNUNVYAOL-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
CC[C@@H](C)C[C@@](N)(CC)c1cccc(C(C)C)c1	1920206586	MLASXYCNOPCQGH-PBHICJAKSA-N	247.426	4.810	0	10	BJAE	
CCC1CC(CCCC(C)C)(CNC(C)C)C1	1921107145	MITIADGWYYICSD-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@H]1CCCC12CCC2	1921631560	ZYULWDIBWKSIRD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)C1CCC2(CC1)CC2	1925790035	LFCDUIUZMCZFNC-CQSZACIVSA-N	246.394	4.662	0	10	BJAE	
CCc1ccc(C(=O)C[C@@H]2C=CCCCC2)cc1	1925795830	CBRNGCMVAJIJDV-OAHLLOKOSA-N	242.362	4.568	0	10	BJAE	
CCC(CC)CCN[C@H]1CCC(C)(C)C[C@@H]1C	1926159231	IANTYBHXQXQZRU-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC(=O)c1c(C)c(C)cc(C)c1C	1926204540	CKAQRYBMOYKRGY-UHFFFAOYSA-N	246.394	4.929	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1CCC[C@@H](C)C1	1926213326	SKRDJKSNPUWPID-TZMCWYRMSA-N	224.388	4.598	0	10	BJAE	
CC1CC(CC(=O)c2cccc(C3CCC3)c2)C1	1927014242	DXDZOCCATHRIEE-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
C1=C[C@H](CC[C@H]2C[C@H]3CC[C@H]2C3)CCC1	1932605695	YKGHATVVRYZNLD-XGUBFFRZSA-N	204.357	4.559	0	10	BJAE	
Cc1cc(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)cs1	1937458507	OLMPEAZHPAIRCF-PJXYFTJBSA-N	237.412	4.541	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CC1(C)C)CC(C)(C)C	1940852239	CYFQKMUVSNDEKV-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)C(C)(C)CC	1940873703	CUAWAPQKRCDMDX-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@H](CC)C(C)C	1941273454	SCFPXIRVSFVYFZ-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C[C@H](C)C1CC1)NC	1944517786	NXLLCLOKCRFBBE-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C(C)(C)C1CCCC1	1944619346	WTWNQIZFZRCCOB-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)CC1(O)CC(C2CCCCC2)C1	1945953509	SXAYKBOPXASYJU-IUDNXUCKSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@H](NCC)c1c(C)coc1C	1947528551	BDJLPPDCJXGMQY-CQSZACIVSA-N	237.387	4.517	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CCC(F)(F)CC	1947999023	YOUIMYCETJIOPW-QWHCGFSZSA-N	249.389	4.602	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@H](C)CCC(C)C	1948846640	GBOMKSZTUXHDEH-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@H]1CCCC[C@@H]1C	1948864703	PRUNEVDEYXXRBQ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@](N)(CC1CCCC1)C1=CCCCCCC1	1948950709	LGBUSUAOWYCWOO-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](N)CCCC(C)(C)C)C1	1948980131	HZZUYNKZUPFDFI-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
O=C(CC[C@@H]1CC=CCC1)CC1CCCCC1	1949920353	ZFNUACCUVNTGKI-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1CCC2(CC2)C1	1950259261	IDPZQNQXSKWPPW-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CCC[C@@H](C)CC1	1950923478	ULLFWAZDFOUHIL-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2C=CCCC2)C1	1959891655	WPICFIDTXHICLE-KBPBESRZSA-N	206.373	4.949	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCc1cccc(C)c1C	1963172833	BYJYYBRLJFLFSF-SUMWQHHRSA-N	247.426	4.608	0	10	BJAE	
CC(C)C[C@H](C)CNc1cccc(C2(C)CC2)c1	1967832594	PZZJROOZTNMRAB-AWEZNQCLSA-N	245.410	4.832	0	10	BJAE	
Cc1cccc(NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1C	1968250314	LIFKUTPYTGJJOT-VIKVFOODSA-N	245.410	4.788	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC1CC2(C1)CC(C)(C)C2	1968858392	BGIPAFCOYPXEHD-HIFRSBDPSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)(CC)NC[C@@H]1CCCC2(CC2)C1	1970612048	ISJWGRMETWBWSE-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CCCCC12CC2	1972725079	JLESUCDPICUGJN-GJZGRUSLSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@](C)(O)CCC(C)C)CCC1	1988464196	MEXHWNKMULGUHM-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCC1(C[C@@](C)(N)CC(C)(C)C)CCC1	1988466955	PFZYDFRLYQHLOE-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)CCCC(F)(F)F	1993167387	PTBINXLTCLSYOZ-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1cc(C)cs1	1995261003	AGKYVWPPJJLMFM-WCQYABFASA-N	239.428	4.663	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)CCC2CCC2)CC1	1998029964	LOZSYFMHHXQECN-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](CCC1CCC1)CC1(CC)CCC1	1998032836	UOJIJOATJTXNLE-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(O)CC[C@@H]1CC(C)C	1998742847	ONQHBGKLHGNREM-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(N)CC2(CCCCCC2)C1	2000665161	APAZEAOLXNDPOE-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)[C@@H](C)NC1CC2(CCCCCC2)C1	2000673603	XMBIMJDIWPVAIP-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@@](C)(N)[C@@H]1CCC[C@@H](C)C1	2003016809	QQSPGYGWAMYIBR-FVQBIDKESA-N	237.431	4.667	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)[C@H]2CC[C@H](C)CC2)C1	2003067437	SNFNCXMJIRRIGT-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H]1CC[C@H](C)CC1)CC(C)(C)C	2003104667	XLTZDWZNIWNRTP-KBUPBQIOSA-N	239.447	4.602	0	10	BJAE	
CC(C)(CC(F)F)C[C@H]1CCCCCCC1=O	2003116245	HSEXZZIEXOZPRZ-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@H]2CC[C@H]21	2004806078	IYKBBHASTKVQSI-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@@H]1CCC[C@H]1C	2006752937	ZTVFXLMOEVGNCO-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1CCC(C)(C)CC[C@@H]1N	2009405193	WEWMVGWJOMDISK-ZNMIVQPWSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](O)CCC2(C)CC2)CC1	2009540854	NOTBOLPWDHIALY-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCN1CCCC[C@@H]1c1cccs1	2009570970	CTYKUAUUUCUIFZ-CQSZACIVSA-N	249.423	4.631	0	10	BJAE	
CC=CCCC[C@]1(O)CCCCC[C@H]1C(C)C	2009587926	HTKJBCYHVQLAAJ-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)c3ccsc3)C2)C1	2011845456	JYRQHCPWHFGEBI-UHFFFAOYSA-N	248.391	4.537	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CCCCC[C@@H]1C	2013265407	WGIVZWZVEXNFQW-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CC1([C@@](C)(O)C2=CCCCCCC2)CCCC1	2014327380	XWZBNLYEIWJNRA-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](N[C@@H]1CCCC(C)(C)C1)C1(C)CCCC1	2014341024	VIWYBBPKXQMOTF-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CC(C(C)C)C(C)C	2015277921	KNAIGSCYIGKELX-ZBFHGGJFSA-N	242.447	4.882	0	10	BJAE	
CC(C)C(CC[C@]1(N)CCC[C@@H](C)C1)C(C)C	2015348432	WEVWUKVWRIYRFS-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@H](N)[C@H](C)CC(C)(C)C)CCC1	2015644488	NJRUDOMVYJDYRS-KGLIPLIRSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)CC2(C(C)(C)C)CCC2)C1	2017125698	QTXLGIIAVPAMOS-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CC1(C(C)C)CCC1	2017144910	XKZTZIWZBZJGCD-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCC(C)=C(C)C)CC1	2017468949	OWCQCOCICFJIEF-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](CN(C)CCC(C)C)CC1	2017649921	AYNGZUPSHYBAOK-WKILWMFISA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)NC[C@H]1CC[C@H](CCC)CC1	2017662759	LGQSMWQIBRYNTB-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](N)CC1CCC(CCC)CC1	2017722989	SDFUXCYUAGUQGY-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
Cc1cc(C(=O)C[C@@]23CCCC[C@H]2C3)sc1C	2018619726	PUSIDRACJJGJQA-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
CCC1(CC2(O)CCC(C(C)(C)C)CC2)CC1	2018967021	HGWIYZBZEYXMKI-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@H](O)c2csc3ccccc23)CC1	2018971244	XKJNAAFJRZLGIK-ZDUSSCGKSA-N	246.375	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)[C@H](C)c1ccccc1	2019109570	DLBYCQSNNHVDAR-KGLIPLIRSA-N	233.399	4.504	0	10	BJAE	
CC(C)CC[C@H](C)N1C[C@H](C(C)C)CC[C@@H]1C	2019409717	UDRYAMZJPOMOJJ-HRCADAONSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)[C@@H]1CCC(F)(F)C1	2026064520	XMBPDRWBGYZAJT-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1C[C@@H]1C(C)C	2026082054	ZDNJFFOZVWORHH-SQWLQELKSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NCC)[C@@H](C)C(C)C	2026163858	OAZYCKDNJVDCSZ-HRCADAONSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@@H](C)CC(C)C	2026165370	AVCJCBWDUJAPEH-JYJNAYRXSA-N	241.463	4.993	0	10	BJAE	
CC[C@H](C)Cc1csc([C@@H]2CCC[C@H]3C[C@@H]32)n1	2026523949	DUBCGRHSUJZLIY-VTPLQMEGSA-N	249.423	4.635	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)c1ccc(C)cc1C	2027820482	HWTUHQOEJNVWCL-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1CCC2(CC1)CC2	2027854870	JDXZMDLCKXKQDQ-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc([C@H](N)CCCCCC2CC2)cc1	2028637308	PJCYJEFURGTLFF-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCCN[C@H](CCC1CC1)CC1CCC=CCC1	2028907824	MYWYDUZSQIKWAP-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H](NC[C@]2(C)C=CCCC2)CC(C)(C)C1	2030351396	JVYJYPZHTMMWRE-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1(C)[C@H]2CC(C(=O)CCC3CCCCC3)C[C@@H]21	2032599088	PODGBTIDYHJZLU-GJZGRUSLSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2(C3CCCC3)CCC2)C1	2033049251	VTLNMIHKIDOKTI-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CC1(C[C@@]2(N)C[C@@H]3CCCC[C@@H]3C2)CCCCC1	2034148099	ALKFGQNHBGLDIS-QLPKVWCKSA-N	249.442	4.645	0	10	BJAE	
CCc1cccc(N[C@@H]2CC[C@H]3CCCC[C@H]32)c1	2034262650	KJVUJYDDLWSSTL-DJIMGWMZSA-N	243.394	4.630	0	10	BJAE	
CC1(CN[C@@H]2C[C@@H]3CCCC[C@@]3(C)C2)CCCC1	2036668502	VHCNUIOAUCUILL-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CCc1ccc([C@@](C)(N)CCC(C)=C(C)C)cc1	2037169258	RMVKYXBNJISJCE-KRWDZBQOSA-N	245.410	4.559	0	10	BJAE	
N[C@]1(C[C@H]2C=CCCC2)CCCC12CCCCC2	2037305286	BGBKZBQIFBDSLX-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CN[C@H]1C[C@H](CCC2=CCCCC2)CCC1(C)C	2037870902	MUDNTQJIBCOMCL-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@H]1CCC2(CC2)C1	2038567169	IBQYRLMGKDRXIK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](N[C@@H]2C=CCCCC2)CC1	2039031271	CYUTVNSIEFJXGU-ZACQAIPSSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCC[C@H](C2(N)CC3(CC(C)(C)C3)C2)C1	2039461065	ZEQDCIXAXVKJOW-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CN(C[C@@H]1C=CCCCC1)C1CCC(C)(C)CC1	2043259096	MVZKXWKIFMXHRP-OAHLLOKOSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@@H]2CCC=CCCC2)C1	2045309250	ZIGVSYDZFKERSS-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2CCC=CCCC2)C1	2045318307	UJVSUAKOQWYPIT-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1ccc([C@@H]2C[C@@H]2C)o1	2045559230	VAPBEAFGIHUMRA-NWDGAFQWSA-N	248.366	4.658	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](C(=O)CC2CCC(C)CC2)C1	2045561644	GVZXMLGFFBAPCY-UNRBTCAZSA-N	248.410	4.764	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](C[C@H]1C=CCCC1)NC	2045722315	UPWXHAPAOUJBLP-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC[C@H](C(=O)C[C@@H]2CC23CCCCC3)C1	2047051100	BGGLENWFHFEHMO-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CC1(CCCN[C@@H]2C[C@H]3CCCCCC[C@H]32)CC1	2047445282	HPWRGUKAFDCYPG-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC1[C@@H]2CCCCC[C@@H]12	2048468337	FDLUPBSELOCZSY-NWANDNLSSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@@]1(CC2=CCCC2)CCCC(C)(C)C1	2049514583	JSAYDXGAVCNPBK-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C1CCCCC(NC[C@@]23CCCC[C@@H]2C3)CCC1	2049669973	PDGGCXVVLWKEQD-WBVHZDCISA-N	249.442	4.659	0	10	BJAE	
C[C@@H](NC[C@@H]1CCC2(CC2)C1)C1CCCCCC1	2049857683	SYNOAXUMOKDCRF-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@]1(C)C=CCCC1	2050006017	KDWIBLQOMHRRLL-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc([C@H](O)CC[C@@H]2C=CCCCC2)c1	2050428687	GAHFJHCQHVMCTL-NVXWUHKLSA-N	244.378	4.555	0	10	BJAE	
Cc1ccc(C(=O)CC[C@@H]2C=CCCCC2)cc1	2050450340	NIZIYNJMFWCXEE-OAHLLOKOSA-N	242.362	4.704	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@H]1Nc1ccc(CF)cc1	2055668257	TZZGTKCGYRSMBU-APHBMKBZSA-N	249.373	4.639	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@H]1C=CCCCC1	2056448373	FSBBEVUHNNDQKM-JYJNAYRXSA-N	248.410	4.764	0	10	BJAE	
C[C@H](C(=O)CC1CC(C2CCC2)C1)C1CCCC1	2056670027	RZXUEVQIGSIVAP-FUJMWEONSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)c1coc(C)c1	2056872298	BLRWXKXKITXJHE-INIZCTEOSA-N	247.382	4.519	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)c1ccccc1C	2056877057	WMWNAJLQQOSPGO-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)[C@H]1[C@H]2CCCC[C@H]21	2059250743	TWSDQROMZFHXBA-DDBYYKKRSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@H](NC)[C@@]12CCCC[C@@H]1CCC2	2059254649	AOJRXSZEDNGYSU-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CCc1c(C(F)F)ccc(C(F)(F)F)c1C	2060345554	FGNUROWSUIZCAN-UHFFFAOYSA-N	238.199	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)C2=CC[C@@H](C)CC2)CC1	2060921749	NILQFQGJISUIAO-PNBKFKSVSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](C1=CC[C@@H](C)CC1)[C@@H]1CCCC1(C)C	2060923583	YXMKFGFRGXRQBU-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@](N)(C1=CC[C@H](C(C)C)CC1)C1CCC1	2061119929	SUTBOLBILDDJIU-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@H](N)CC(C)(C)C2CC2)CC1	2061148564	WDHIPVIGYLZBHT-CJNGLKHVSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)CCC2CCCC2)CC1	2061150423	KYLYVHSBRYWXDN-RDJZCZTQSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](NCC[C@@]12CCC[C@H]1C2)C1CCCC1	2061588022	QMPMOWDBKVNNPT-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
O=C1C[C@H](CCC2CCCCC2)CC2(CCC2)C1	2063720349	HWAMEWVTMYRFTK-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CC[C@@](CNC1CC1)(C[C@H]1C=CCCC1)C(C)C	2064501818	NNNWSBNXTDTFFZ-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCCC12CCC(CC1)CC2)C1CC1	2065339237	KKIBZGMHGMDURY-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)CC1CCC=CCC1	2065941931	FKSBISPYWPRVAO-KRWDZBQOSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)C1(CC2CC2)CC1	2069510947	IIQLYPURBCTLHY-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(CC[C@H](O)c2ccccc2)CCC1	2071907941	ILJICGXHGWIXSA-HNNXBMFYSA-N	246.394	4.717	0	10	BJAE	
CC(C)(C)C1(CC(=O)C[C@@H]2C[C@H]2C2CC2)CCC1	2071917820	ODYKVVADFPFNSV-HIFRSBDPSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(CC2(N)C[C@H]3CCC[C@@H](C3)C2)CCC1	2071945467	GUFVFJSFJIHEQC-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNC2CC2)CCCC[C@@H]1C	2072407104	CXHMUBCFOHKPLD-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@@H]3CCCC[C@H]32)CC1	2072870827	HRUQJHMQHGOZDF-RFBLXINOSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)N(CCC2=CCCCC2)C1	2075145065	BWKSCLGCMVJUEY-WBVHZDCISA-N	249.442	4.633	0	10	BJAE	
CCC[C@@H]1C[C@H]1CN[C@H]1CCC2(CCCCC2)C1	2079451459	QOJUXELAACXDIW-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](N)(C[C@H]1C[C@H]1C1CCCCC1)C1CC1	2079830669	DLQSKXYKLWNYAV-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CC1(CCC(=O)C[C@H]2C[C@H]2C2CCCCC2)CC1	2079867453	WKTGLXJXRBVASE-HOCLYGCPSA-N	248.410	4.742	0	10	BJAE	
CCN(C[C@H]1C[C@H]1C(C)(C)C)c1ccccc1C	2080083814	SGLZFECHOZHLCO-HUUCEWRRSA-N	245.410	4.504	0	10	BJAE	
CCC(CC)[C@H](C)NCc1cc(C)cc(C)c1C	2082905366	JGHKNBNDQDUOKB-HNNXBMFYSA-N	247.426	4.526	0	10	BJAE	
CC[C@H](N)[C@H](C)CCCCCCCC1CC1	2212463235	QDHAYLIOBBUUKZ-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC(C)[C@@](N)(CCCCCCC1CC1)C1CC1	2213571092	DDIONDHVHUCYAF-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(CCC=Cc2ccccc2)cc1	2213824038	AVLQYQSWFXCCAT-UHFFFAOYSA-N	222.331	4.641	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](C(=O)CCCCC2CC2)C1	2214553259	RNHVYNDFYYLXQS-NHAGDIPZSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@](N)(CC)CC1(C)CC(C)(C)C1	2215397395	CIJDBWYYMHOADJ-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC=C(C)[C@@H](NCC)[C@H]1CC[C@H](CCC)CC1	2216282690	LHTPGLWCSQYYMM-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
O[C@H](CCCCCCC1CC1)CCCC(F)F	2216417214	KKVPJEYROLSGQX-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CCC[C@H](CCC1CCCC1)CNC1CCC1	2217143511	XBUDMSRFPAZREW-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C1CCCC(NCC2C[C@H]3CCC[C@H](C2)C3)CC1	2218344664	XUJJWTGZJOEFKC-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@@H]2CCC[C@H](CCN)C2)CC2(CCC2)C1	2221028318	OSAJBOXRASIXBE-HUUCEWRRSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H](C)NC[C@]1(C2CC(C)(C)C2)CC=CCC1	2223595696	NQMVIYSFSDLRTQ-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)c1ccc(C2CCC2)cc1	2223685785	AUWRDAMMKRJMFN-DCGLDWPTSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc(Cl)c(C)c1	2244779052	CHBBZHVKOAWDLD-LLVKDONJSA-N	238.758	4.657	0	10	BJAE	
CCCC[C@H](C)[C@H](O)CC1CC2(CCCC2)C1	2246767171	KXWLLZZFUBUISC-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCCC[C@@H]1C[C@@H]1C	2247160117	RLTVREZNWUCBDU-CAOSSQGBSA-N	240.431	4.780	0	10	BJAE	
CCNC[C@@](CC)(CC1=CCCCC1)C(C)C	2247493606	BZRSFZFSQVNURN-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](CCC1CC1)NC(C(C)(C)C)C(C)(C)C	2247715812	FILIITLDNGPVMA-LBPRGKRZSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)c1csc(C2CC2)c1	2248071977	ZXCGLYFOHVOGGP-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCN(C)CCC(C)(C)C	2248840078	LIZGNHDTVOLMDH-GJZGRUSLSA-N	239.447	4.571	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC[C@@H](N)C1(C)CCCC1	2248843874	VUKRWPKMEXSBKQ-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCCNc1cccc(C(C)(C)C)c1	2249259932	TWEPYNKUXOEJPH-AATRIKPKSA-N	231.383	4.752	0	10	BJAE	
CCC[C@H](CC)[C@H](C[C@H](C)CC(C)C)NCC	2250352421	LXJJUVDZRWEBEG-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2250362740	XAHIVSYWEHVTPV-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)[C@@H]1CC1(C)C	2250467216	OPLVVHFWQSOJRP-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CNCCC[C@H](C)CC[C@@H](C)CCCC(C)C	2250468553	FGODTEXIPZGLNQ-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC[C@H](C)[C@@](C)(N)CC[C@@H](C)CCCC(C)C	2250473552	FCBQECLBACBXIQ-JYJNAYRXSA-N	241.463	4.993	0	10	BJAE	
CCCC[C@H](CC[C@]12CCCC[C@@H]1CC2)NC	2251174172	DSDOXVRKRJGAMZ-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC1CC(CC(C)(C)C)C1)NC	2251490529	BLMXQZVAQBCPHU-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCN(CC(C)C)[C@@H]1CCC[C@H](C)C1	2252634725	KGBGDNFAWAQXDX-JKSUJKDBSA-N	239.447	4.569	0	10	BJAE	
Cc1cccc(-c2nc([C@@H]3C[C@H]3C)c(C)s2)c1	2252741951	BPXPRTLLQIIEJR-ZWNOBZJWSA-N	243.375	4.550	0	10	BJAE	
CC1(CCCC(=O)C[C@H]2CCCCC23CC3)CC1	2253797583	HOFQUGVSEQRWEX-CQSZACIVSA-N	248.410	4.886	0	10	BJAE	
C/C=C/CCCN(C)CC[C@H]1CCCCC12CC2	2253855340	MYPWWTBZLZOCJF-QDLOVBKTSA-N	249.442	4.635	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@](C)(N)C12CCC(CC1)C2	2254598163	YXCOMWPSBILOLT-RPSHWRLHSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc([C@@H](N)CCCC[C@H]2C[C@@H]2C)c1C	2254609074	LUZYBPMJUHIZGU-QRTARXTBSA-N	245.410	4.520	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@H]2CCC23CCC3)C1	2254975189	IVWGSGHDAHSETD-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CC1CC2(C1)CC(C[C@H](N)C1(C)CCCCC1)C2	2259538128	DOQNDBZIVRDBTH-LETWWHAPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C(CCNc2ccc3ccccc3c2)[C@@H]1C	2260446498	UWGRJIPHRTUSSG-CHWSQXEVSA-N	239.362	4.544	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@@]12CCCC[C@@H]1CC2	2260509681	XCSLFRAQJMBYGA-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C1CCCC(CN[C@]23CCCC[C@H]2CC3)CCC1	2260554802	JSFQBJAVWJMACX-IRXDYDNUSA-N	249.442	4.659	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@]12CCCC[C@H]1CC2	2300683684	MFJYMVDFMRZELW-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCCCC1(C)C	2300698683	AXTJSRHAAMNZAX-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1[C@@H](CC(=O)CC2CCCCC2)CC1(C)C	2302141005	WJUXRUCSQDOOFQ-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N1CCCC1=CCCCC1	2302357945	AVXIZRXFQGASFD-GOEBONIOSA-N	235.415	4.530	0	10	BJAE	
CC[C@H](CC(C)C)[C@@H](O)C[C@H]1CCC(C)(C)C1	2302676828	YOBBKNKDRYCGGZ-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303510898	KWFAHTDXAFWNFX-DZGCQCFKSA-N	238.415	4.844	0	10	BJAE	
CC[C@](O)(C[C@@H]1CCC(C)=C(C)C1)C(C)(C)C	2303525598	VRIDAPXVFWZMGU-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC[C@@H]1C[C@H]1CC	2303571288	IIQFIGHBZWKDBE-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC[C@@H]1C[C@H]1CC)NCC	2303610477	FMYDUVBDNUMSGM-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
S=c1cc([C@@H]2CC23CCC3)[nH]c2ccccc12	2304030061	KAXBJFSHEQHEBT-NSHDSACASA-N	241.359	4.555	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCCC12CCC2	2307749631	MIKKYMHGDUEQEK-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)CN(C)CCCC[C@@H]1C[C@H]1C	2307904262	TUBCPYABSLTLAA-OWCLPIDISA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CN)CCCC12CCC2	2307907610	MLTWJOXBWYPBOF-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C12CCC(CC1)CC2	2307908846	ROOBLSSKPBRRQS-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
C[C@@]12CCCC[C@@H]1C[C@](N)(C1CCCCCC1)C2	2308397210	MGDWEZKZCSBRLW-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](C[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2313353782	VCRWXRLONFOMKV-IKGGRYGDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)c1ccc(F)cc1	2316510779	WTSZSLNKTYUWAR-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CC=CC[C@@H](NCCC)c1c(C)cc(C)cc1C	2316511387	ZPQDJUCPEYZMCF-MRXNPFEDSA-N	245.410	4.619	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@@]12CCCC[C@@H]1C2	2316873407	GNYAOHKUIHZBJP-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CCC[C@@H]1C[C@H]1C	2317531794	CLYRZONUMBDNGA-DGCLKSJQSA-N	245.341	4.525	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CCCC(C)(C)C	2317572429	GWWZRTAVZKUNKQ-UHFFFAOYSA-N	247.357	4.915	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H](C)CC1CCC1	2317929974	QGEXKYHXUBSIBY-LBPRGKRZSA-N	249.373	4.940	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@@H](C)[C@@H](C)C(C)C	2317998865	VPYVTJFSVNJUGS-YQQAZPJKSA-N	248.410	4.603	0	10	BJAE	
CCC(CC)CC(=O)Cc1ccccc1C1CC1	2318980237	OUBGXNPCLHDONK-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC1(C)CCC[C@](N)(CC[C@@H]2CC[C@H]2C2CC2)C1	2319742209	VBGXYMRAGVJIKJ-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	2320393738	ITZHOLBVKYTMDV-IXKJSCDLSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@@H]2CCC2(C)C)c1	2320521809	TWKGRBQFSPOPFX-JKSUJKDBSA-N	246.394	4.670	0	10	BJAE	
CCc1cc(F)cc(N[C@@H](CC)C2CCCC2)c1	2321088812	FCZJPYGCPLSLFO-INIZCTEOSA-N	249.373	4.769	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@@H]3CCCC[C@H]3C)(C1)C2	2321643473	XQMMDIGSVAEJEA-QBBMROGASA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](c1cc(C)ccc1C(C)C)[C@@H](C)CC	2327683014	VBLXUENUZMYLHW-WMLDXEAASA-N	247.426	4.815	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)c1ccc2occc2c1	2328197461	UIACXNZRYQUFHG-DOMZBBRYSA-N	246.350	4.683	0	10	BJAE	
CC(C)=CCC[C@H](C)c1ccc(C)c(O)c1	13377483	FKWGCEDRLNNZOZ-LBPRGKRZSA-N	218.340	4.551	0	10	BJAE	endogenous,in-man
CC[C@H](C)[C@H](C)Nc1ccccc1C(C)(C)C	36956418	MRTGXJQORGTSPM-STQMWFEESA-N	233.399	4.831	0	10	BJAE	
CC[C@@H](Nc1cc(Cl)cc(Cl)c1)C(C)C	37199582	DSWCRLBYFADNST-GFCCVEGCSA-N	246.181	4.840	0	10	BJAE	
CCCC[C@]1(C(C)C)Sc2ccccc2N1C	39118913	NDSAUICGXJOYOB-OAHLLOKOSA-N	249.423	4.771	0	10	BJAE	
CC(C)(C)C(=O)C1(c2ccccc2)CCCCC1	62782543	FMKWYPKVSKGEAV-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](CCC)NCC	71083919	JMKNILAAUPTGLR-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CC[C@H](C)c1ccccc1NC(=O)OC(C)(C)C	75290432	KDCRXMUMZZFOEM-NSHDSACASA-N	249.354	4.547	0	10	BJAE	
Cc1cc(C)c2nc(Cl)cc(C(C)C)c2c1	77255201	WPZFCAKNNUPPJL-UHFFFAOYSA-N	233.742	4.628	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC[C@H](C)CC1)c1ccccc1	86889787	KDTPENPMQAEEIJ-USXIJHARSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2cc(F)ccc2C)CC1	86893939	ULHJCIHYEXQGDF-UKRRQHHQSA-N	249.373	4.905	0	10	BJAE	
CCC1CCC(Sc2cc(N)ccc2C)CC1	91941984	FZRMKMNGMWHJRD-UHFFFAOYSA-N	249.423	4.638	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Sc2cccc(C)c2N)C1	91945069	LDPBFAFWYOORLM-CHWSQXEVSA-N	249.423	4.638	0	10	BJAE	
CCCN[C@H](c1ccccc1)C1CCCCCC1	110213465	TYIWLJQCBYQCCD-KRWDZBQOSA-N	245.410	4.698	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@@H](C)C(C)(C)C)cc1	111649095	PAJNXUXGRMEUDR-CJNGLKHVSA-N	247.426	4.882	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CCC(C)C)NCC	124981038	MYSKKRUUHUZYSJ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](C)CC[C@H](CNCC)c1ccccc1	155721498	YLKOLNGJSVPZEP-DOTOQJQBSA-N	247.426	4.596	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@H]1CC)C1CCCCC1	164078450	SGTXFBSPPUYQLM-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CCCCCCC(=O)c1cccc(OC(C)C)c1	164730999	VBVSKXDSYZKBJX-UHFFFAOYSA-N	248.366	4.627	0	10	BJAE	
CCC1CCC([C@H](CCCC(C)C)NC)CC1	165889510	NZGCPRNTSVEHRI-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)c1ccc(C)c(C)c1	167279657	AVONSNDNYYGOFW-CXAGYDPISA-N	247.426	4.780	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	168453412	XPPYTCYQEWJRSZ-MGPQQGTHSA-N	224.388	4.598	0	10	BJAE	
Cc1c(C2CCCCC2)[nH]c2ccccc12	201427842	ZHMNYPWKKRRELM-UHFFFAOYSA-N	213.324	4.524	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)c1cccc(C)c1	203336517	NJENMLXECOSHNQ-DOTOQJQBSA-N	247.426	4.775	0	10	BJAE	
CCCCCCc1ccc2cc(OC)ccc2c1	221004744	MUWQIKSFDJMWFC-UHFFFAOYSA-N	242.362	4.971	0	10	BJAE	
CC(C)CCC[C@@]1(O)CCC[C@H](CC(C)C)C1	230783243	DMWRRIMMGKOAGB-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)CC2CCC2)cc1	232155480	SHYNDNWFEVUPBQ-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCCCC[C@H](C)c1c[nH]c2ccccc12	232981681	TWRMVQGFUNKFIS-LBPRGKRZSA-N	215.340	4.852	0	10	BJAE	
CCCCCc1c[nH]c2c(C)cc(C)cc12	233048064	ZBZWHOOZLJFPND-UHFFFAOYSA-N	215.340	4.517	0	10	BJAE	
CCC[C@@H](C)Oc1cc(Cl)ccc1Cl	233280146	MFMKGQIDEDNZNS-MRVPVSSYSA-N	233.138	4.561	0	10	BJAE	
C[C@@H]([C@@H](O)c1cccc2ccsc12)C(C)(C)C	302402875	HMVUJHAZIVHRCX-GXFFZTMASA-N	248.391	4.617	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@@H](C)CC(C)C	304418910	JNBYDSYLIYQTGG-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)c1ccc(C)cc1	305946247	MHVPNNUEELFMJU-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CC1(C[C@@H](O)CCC2CCCCC2)CCCC1	310452678	YJGOVNPQPBECPZ-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCCCC[C@H]2O)CC1	310504922	KFQYZLNRHPCFJH-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC[C@](O)(c1cccc(C)c1)C1CCCCCC1	310661538	FWJSFEYELQWYMO-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)c1ccccc1CC	310827113	JIRCWWMMMRPVKY-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCN[C@@H](C(C(C)C)C(C)C)[C@@H](C)[C@H](C)CC	320061325	WAAWEGZYKFCOBD-IJEWVQPXSA-N	241.463	4.575	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H](C)C1CCCCC1	379865641	SJOIQZDYWXVZJV-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCCCC[C@H]1CCCC[C@H](N)C1	383275032	ZQLWTGLMYQQFOO-GJZGRUSLSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](c2nc3cccc(Cl)c3[nH]2)C1	383554683	QUHQFHIDBLHSAK-VHSXEESVSA-N	248.757	4.510	0	10	BJAE	
CN[C@@H](CCC1=CCCCC1)c1cccc(C)c1	384933810	IURFXMFRNGFLPF-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1Nc1ccc2ccccc2c1	385424391	BZZHYFUIFPZWSZ-WBVHZDCISA-N	239.362	4.686	0	10	BJAE	
CC[C@@H](Nc1cscc1C)c1ccc(F)cc1	387205364	OZGNEHOWGZPENP-CYBMUJFWSA-N	249.354	4.759	0	10	BJAE	
CCC1(Cn2ccc3c(C)cccc32)CCC1	393852482	ZSXSYAQFHVWZKU-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCCC2CCCCCC2)C1	394572230	MLTQQPSMYTXSCD-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(Cl)c(N[C@H]2CCCC23CCC3)c1	394746326	QMUJZJCWHOYDSU-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
CC1(C)CC(N[C@@H](c2ccccc2)C(C)(C)C)C1	395233520	VOXZRKKSDZCSMB-HNNXBMFYSA-N	245.410	4.552	0	10	BJAE	
CCCC[C@H](CC)C[C@@](O)(CC)C(C)(C)C	395383809	FCTUGDASKZMWOD-ZFWWWQNUSA-N	228.420	4.780	0	10	BJAE	
CC[C@H](N[C@H](C)CCC(C)(C)C)[C@@H]1CC1(C)C	397610009	OZTAXWVMTVIPCI-RDBSUJKOSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@H](NC)c1csc(C)c1C	399833361	DICGHJCIKGNCKI-AWEZNQCLSA-N	239.428	4.596	0	10	BJAE	
CCCC[C@H](CC)[C@@H](C[C@H]1CC=CCC1)NC	402243398	HIMBMQKPHAZJQA-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)CC(C)(C)C1CC1	405763857	IEMYCULAHHGDKP-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@H](C)Nc1nsc2ccccc12	687800797	JWVMZGHKASZMTK-NSHDSACASA-N	248.395	4.533	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)CC1CCCC1	689763448	LIRGZSGRLZZAEY-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)CC1CCCC1	689800646	NGYHDNRWXKKOIL-LLVKDONJSA-N	235.346	4.515	0	10	BJAE	
CCc1cc(C)cc(CC)c1N[C@H]1CCC[C@@H]1C	690188576	WGCVYTVIGZCSNL-BBRMVZONSA-N	245.410	4.720	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1Nc1cc(C)ccc1F	691134139	GCDHSVQYSBGFRR-DZGCQCFKSA-N	249.373	4.905	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@H](C)C1CCC1	692725793	PTABEDYFSSMPGT-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@@H]2CCC23CCCC3)CC(C)(C)C1	693795097	MPSMAPGPCQZEIA-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CC(C)(C)CC(F)F	694087652	NLDSFMLKWHKNGR-RYUDHWBXSA-N	249.389	4.602	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@@H]1CCCC2(CC2)C1	695939447	YOCUVWKAIVQRDA-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@H]2CCCC3(CC3)C2)C1	695982718	GPFKFHZKISITMV-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)C1CCCCCCC1	696571788	KPPJTRHIXFCZOE-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)C1CCCCCC1	704473015	NCXGFKGQUNTCAG-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H](C)CC(C)(C)C	704584311	JGSGLRKMFBBKHS-OLZOCXBDSA-N	228.420	4.636	0	10	BJAE	
Cc1ccc(N[C@H](C2CCC2)C2CC2)c(Cl)c1	705302903	KTCVUBWESSJDAL-OAHLLOKOSA-N	249.785	4.639	0	10	BJAE	
CCCC(N)(CCC)c1ccc2ccccc2c1	707508270	MOLYVYIDNPXFRE-UHFFFAOYSA-N	241.378	4.594	0	10	BJAE	
CCCC1(CN[C@H](C)[C@@]23CCCC[C@H]2C3)CCC1	709246611	NKBKXOQZEOFXOY-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)CNc1ccc(C)c(OC)c1	709728084	CWCAAEOAPBMDKA-AWEZNQCLSA-N	249.398	4.632	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@H](C)C(C)(C)C)C1	711207549	LNAHAKZNYSHRCD-MJBXVCDLSA-N	238.415	4.700	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1N[C@@H]1CC12CCCCC2	713040049	WUJDZOOVJPCOPI-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@]1(O)CC(C)(C)CC[C@@H]1C	713075550	BJXAHZNNMRBAJS-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H]1c2ccccc2[C@@H](C(C)C)[C@H]1CC	714354496	AVKBBZSIFOLRPD-COXVUDFISA-N	245.410	4.507	0	10	BJAE	
CCCC[C@H](CC)CC1(CN)CCC=CCC1	718036647	FYCRPALYRFDOCD-HNNXBMFYSA-N	237.431	4.668	0	10	BJAE	
CCCc1ccccc1CCC(C)=C(C)C	718681405	VRWJLFOHZVGZFP-UHFFFAOYSA-N	216.368	4.928	0	10	BJAE	
C[C@@H](C[C@@]1(CO)CCC=CCCC1)C(C)(C)C	718968348	GSPHEMOPPKGLHW-GOEBONIOSA-N	238.415	4.558	0	10	BJAE	
C1CCC(CCSC[C@@H]2CC[C@@H]3C[C@@H]3C2)C1	1189831353	HKQHNDSXFRTDLM-KFWWJZLASA-N	238.440	4.736	0	10	BJAE	
CC(C)(C)[C@H]1CCCN([C@@H]2C=CCCCCC2)C1	1645418413	YIHRHJYHHUCCRT-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
Fc1cc2c(c3ccccc13)-c1ccccc1C2	1775963188	KDWYLEJAPQEINB-UHFFFAOYSA-N	234.273	4.550	0	10	BJAE	
CCCC[C@@](O)(CC)CC1CCCCCC1	1901132505	MBHDNIDFLPXDRD-HNNXBMFYSA-N	226.404	4.678	0	10	BJAE	
CCC[C@H](CC)C[C@@](N)(CC)C1CCCC1	1905362791	ROQPSHJDBPNDNF-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCC[C@](N)(CCC[C@@H]1C[C@@H]1C)C1CCCC1	1908577996	OKPJOUGKCDRSJZ-LZWOXQAQSA-N	237.431	4.501	0	10	BJAE	
CCC=CC[C@H](CCC)c1cccc(O)c1	1911855002	OXOGFOZRMQQFMQ-ZDUSSCGKSA-N	218.340	4.632	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@@H]1CCC2(CCCCC2)C1	1915854995	MXEHPCDNDFHFGQ-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1CCCC12CCC2	1921608249	ZLQNKALSNGADAN-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
Cc1cccc(C(=O)[C@@H](C)C2CCCCC2)c1C	1924097053	AWEHWIQWUDJXQP-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CCC[C@H](NC[C@@H]1C=CCCCC1)C1CCCC1	1925813817	DOLSOUACIYRZDY-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C[C@@H]2C=CCCC2)cc1Cl	1932606978	NBFIQVIZKQNQMO-GFCCVEGCSA-N	220.743	4.547	0	10	BJAE	
CC[C@@H]1CCC[C@H](C=C(C)CNC(C)(C)C)C1	1940182675	ZWQXKHPEFMXKBJ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H]1CCCC[C@H]1CC1(C)CCCCC1	1940417818	YIYMTPCAJKWMRV-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)CC1CC(C)C1	1940690011	OCKNLGSGJUPTLR-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCC[C@@H]1CC1(C)C	1940877271	PMTJLMYBJIVGNE-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCCc1oc2ccc([C@H](C)CC)cc2c1O	1941146039	FVUACUQZVVAXRL-SNVBAGLBSA-N	232.323	4.604	0	10	BJAE	
CCN[C@@H](CC(C)(C)C(C)C)[C@H](CC)C(C)C	1941267654	VINYYBKQQRYKOL-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](N)CC1CCCCC1	1941267908	YMCFKLZATBCNHH-CVEARBPZSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H]([C@H](CCC)C(C)C)C(C)(C)CC	1941274208	YFMRYWZXYUYOFF-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944204194	PXMCEHGIUZSRNZ-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@H]2CCC[C@@H]2C)CC1	1944847256	VZTXHYMGGPGBIQ-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)N[C@@H]1CC[C@@H](C)[C@H]1C(C)C	1947510749	QOKOIKJFRUOVPB-FVQBIDKESA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@H](C[C@H]1C=CCC1)NCCC	1947577729	VGQWLVUMWQJOOT-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@H](C[C@@H]1C=CCCC1)NCCC	1947588341	NZRIJVMMYNAEKJ-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCC(F)(F)CC)NC	1947993429	NRRKGSRMCGHKIM-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cccc2ccsc12	1950096232	SWCALFJISSUXFH-ZDUSSCGKSA-N	245.391	4.892	0	10	BJAE	
C[C@H](C[C@H]1CCC[C@@H](CCN)C1)CC(C)(C)C	1950518076	TYRXXACGZJZDCM-QLFBSQMISA-N	239.447	4.604	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)c1	1968308317	UWESKZDMTRAYQF-SCAQPMJSSA-N	243.394	4.684	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1CC[C@H]1CC(C)C	1968309929	OVILZFLFEDNQHB-JYJNAYRXSA-N	239.447	4.616	0	10	BJAE	
CCc1ccc(NCC2C[C@@H](C)C[C@H](C)C2)cc1	1968313447	CXFUGUNKECRDIB-KBPBESRZSA-N	245.410	4.733	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)c1	1968341015	HAHLOXVUSYUNIT-BTTYYORXSA-N	247.357	4.515	0	10	BJAE	
CCC[C@H](C)CNc1cc(C(C)C)ccc1C	1968598383	XMJJHIBTCQHXNG-ZDUSSCGKSA-N	233.399	4.967	0	10	BJAE	
CC1(C)CCCC[C@@H]1CN[C@H]1CCC2(CCC2)C1	1970085909	KZMOTJLYMAKELI-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2CCCC3(CCC3)C2)C1	1970281395	NHJQSWZQALGFCT-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](NC(CC1CC1)CC1CC1)C1CCCC1	1970934636	SMVIBBQHZDMLDT-QGZVFWFLSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C(=O)[C@@H](C)CCC(C)C)c(C)s1	1978420025	HIZFOIUGYKULSU-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
CC(C)CCCC(=O)CCC1=CCCCC1	1978424945	NUTCNGYJLSZOEQ-UHFFFAOYSA-N	222.372	4.662	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)[C@H](C)CCC(C)C	1988783690	VAYDULYHMJBDQA-HUUCEWRRSA-N	225.420	4.523	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)[C@H](C)CC(C)C	1990818745	XVIANUQOCHYTSU-CABCVRRESA-N	227.436	4.568	0	10	BJAE	
CCCC[C@H](CC)c1nc(CC2CC2)cs1	1995466398	CODGSZWGJJPSJV-LBPRGKRZSA-N	237.412	4.779	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1ccc2sccc2c1	1996617484	SHSHSFJXCWITBT-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NCC)C1CC=CC1	1997543851	MBGJYLPYWHURLY-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@@H](C)CCC(C)C	2000377046	SGCGCZKDXLCPHH-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)C1CC(C(C)(C)C)C1	2002303612	DHGMXWXCMPIAKD-URGYJCLVSA-N	239.447	4.602	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)CC1CCCC1	2004719088	OVRAJCZACNQGGA-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H]1CCCCC12CC2	2005594976	HODMWCZIRIYNKL-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](O)[C@H]1CCCCC12CCC2	2005600941	PBMRNZTZRVABOG-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@H]2CCC[C@@H]2C)CC1	2006766677	PJRAIXIZALXVSM-XUWVNRHRSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(C)(C(=O)CC2CCCC2)CC1	2007683164	KPNSOXMZWTUCLT-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CC(C)C)C1(C)CCC(C)(C)CC1	2007697638	PVQDBPRGNBKHSM-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CN)CC1CC(C(C)C)C1	2007753979	KMABWRZNTWAQGW-GPANFISMSA-N	239.447	4.604	0	10	BJAE	
CCC[C@]1(C[C@@H]2CCCC[C@H]2CC)CCCN1	2009059151	NBCPSAAAMSVMAE-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1N[C@H](C)C[C@H]1C1CCCCCCC1	2009067482	PDNASNXIGCJQQM-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@](C)(CCC1(C)CC1)CNCCC	2009545028	VVWKUWLHMPLYNC-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC(C)CC(O)(CC(C)C)C1=CC[C@H](C)CC1	2010622296	DSPNAHUEQYMCRS-AWEZNQCLSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@H](N)c2ccsc2)CC1	2010730420	YLHWSSOOWHWPLG-KGLIPLIRSA-N	249.423	4.521	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)c2csc(C)c2C)CC1	2010769154	NZNXSTNGYKEQFP-IUODEOHRSA-N	249.423	4.501	0	10	BJAE	
C/C=C/CCCN[C@@H]1CCCCC[C@H]1C(C)C	2011438767	TUXLGOBOCMANRT-CGFBPQRUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H]([C@@H](C)CCC)CC(C)(C)C1	2012041433	KQTZJKVCEXOOCL-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)[C@H](N)CC12CCC(CC1)CC2	2012813932	SGNYMLJLCYOQHB-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)CCC(C)=C(C)C	2013238066	VMUZHGZNAUTKPO-INIZCTEOSA-N	237.431	4.633	0	10	BJAE	
CC(C)(C)CC1CC(N)(CCCC2CCC2)C1	2014656686	PSCMDSYOYAOCKA-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC(C)C)CCC1(C)C	2014845231	CVOHNRBSLCWAHA-MOEXGYKKSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC)[C@H](C)CCC(C(C)C)C(C)C	2015340881	WUBKYYLYZYBWCN-GDBMZVCRSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H](C)C[C@@](C)(N)[C@@H]1CCCC(C)(C)C1	2015410849	DWBMADSTAAHEDN-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](CCC1(C(C)(C)C)CCC1)C(C)(C)C	2017140000	BUVLNDSOFDIHIY-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](C)(CNCCC)CC(C)=C(C)C	2017462322	YGVOODUITIWCMK-INIZCTEOSA-N	239.447	4.929	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)CC1CC(C(C)(C)C)C1	2017702224	LNHLBUVUQZMYER-ZUEPYMLJSA-N	240.431	4.636	0	10	BJAE	
Cc1ccc(NC[C@H]2CC[C@H](C)CC2)cc1C	2017720866	IPHOEXVRPMCMMG-NNUKFRKNSA-N	231.383	4.542	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](NC)C(C)(C)C)CC1	2017722167	DQWVQSQXWCNFTH-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)C[C@H]1CC[C@H](CC)CC1	2017724818	ZPLGPEWOBRYSQA-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
CC[C@](N)(C[C@H]1CC[C@H](CC)CC1)C(C)(C)C	2017729268	UXZXBQZIKUCIFP-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@](C)(O)C2CCC2)CC1	2017773506	BPQRFROWKCUMDF-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@]2(C)C[C@@H]2C)CC1	2017775817	HGHFBOIHADNGLT-USPMSXPRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H](C)CC(C)C)CC1	2017776906	WGLKJGWDNUIPKI-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CCCC1(CC(=O)[C@H](CC(C)C)C(C)C)CC1	2018941486	QIKJXLTZCMOILN-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
CCCC1(CN(CC(C)C)C(CC)CC)CC1	2018943002	XZWZKJUWNXCWHS-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCCCCN(C)[C@H](C)[C@@H]1CCC[C@H](C)C1	2019292407	XNLHSEPTZYHKEJ-ARFHVFGLSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCCN(C1CCC1)C1CCC1	2019344763	RKNDZDXRHSDLOQ-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CC[C@@H]1CC(C)C	2019420806	ITNHDGJLMOTQDS-ARFHVFGLSA-N	239.447	4.568	0	10	BJAE	
CCCC(CCC)[C@@H](C[C@H]1C[C@H]1CCC)NC	2022490663	UYYQRPODXMYBSW-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H]1C[C@H]1C(C)C	2022555211	VNEVDQFLOYPTIO-KFWWJZLASA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](N)[C@@H](C)CC1CC(C)(C)CC(C)(C)C1	2024100639	DSSFPKFBRQDABS-GXTWGEPZSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](CC1CCCC1)NC	2026162398	BWQGOUUAKKQCNE-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)[C@]23CCCC[C@H]2CCC3)C1	2031761755	VHPSQLNDFURBAQ-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1C(=O)[C@@]12CCCC[C@H]1CCC2	2031853284	VKFBQAAWARYHTA-WMLDXEAASA-N	242.362	4.538	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cccc(C2(C)CC2)c1	2032244881	FYRLGUINCGLLEW-CZUORRHYSA-N	243.394	4.729	0	10	BJAE	
CCN[C@H](C1=CCCC1)C(C)(C)C1CCCCC1	2032342141	RFQFYSFFMMHGTE-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
C1CCC(CCNC2CC(C3CCCC3)C2)CC1	2033764143	HTTQSAXFPOAMSR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CC[C@@H](C)[C@@H]1C(C)C	2035406290	AUKARJYBRZPMHP-LYRGGWFBSA-N	249.373	4.617	0	10	BJAE	
CC(C)NC[C@]1(C[C@H]2C=CCC2)CCCC1(C)C	2035585058	BQQBLEMBEZGNAL-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@H]1CC12CCCC2	2036107048	PTJYLVOYLVSKMK-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](N)[C@H]2CC(C)=C[C@@H](C)C2)CC1	2037047451	CGEMRTWMMGHWTH-USLYUZPUSA-N	249.442	4.523	0	10	BJAE	
CCCc1cccc([C@@H](N)C(CC)(CC)CC)c1	2037085443	AUDJCXAEUDUUPF-MRXNPFEDSA-N	247.426	4.855	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@@]1(N)C1CCC(C)CC1	2037105915	VGBWJDZEQLLJLI-CLKYRPBMSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC2(CCCC2)C1)C1CC1	2037696737	BIZFEZXGCMZEAU-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC1CC=CC1)CC1CCCC1	2038111282	ZHMMHIHSKUGSHJ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC[C@@H]1C=CCCC1)CC1CCCC1	2038114077	FPJJNXRIKBZNGL-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC[C@H]1CC12CC2)CC1CCCCC1	2038167134	RFFJRMDJVCPVIY-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2CCC=CCC2)CC1	2039374455	LFGJUYXBZMHXHF-ZBFHGGJFSA-N	248.410	4.908	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)[C@@H]1C=CCCC1	2043194482	MXKGYVHHVBIZJE-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCCC1CC([C@H](N)C[C@H]2CCC=CCCC2)C1	2045330347	VKBCBMYTHHSRKC-ZGRYLRDCSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CCC1CC1)C[C@H]1CC12CCCCC2	2047011797	LXDKBPSIHISAHD-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C1CCC(NC[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2047410912	WJKWLBUQNIKBIU-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)CC1[C@H]2CCCCC[C@H]12)C1CCCC1	2048470295	MRLJRSSYJFFPEO-QEJZJMRPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@](CNC2CC2)(CC2(C)CC2)C1	2049492462	JEOLQFOTKAFXIJ-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCCNc1cc(C)cc(C2=CCCCCC2)n1	2049654618	VDPBVBRKNGYYPM-UHFFFAOYSA-N	244.382	4.559	0	10	BJAE	
CCCN[C@@H]1CCCCCC[C@@H]1C[C@@H]1C=CCC1	2049702764	AAEIKWZPQWBZMC-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
C[C@](N)(CC1CCC2(CC1)CC2)C1CCCCC1	2049851926	CSTDTFUKUNIMKB-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CC(=O)c1ccccc1F	2050495149	QBHPIYXFBMTOJW-CHWSQXEVSA-N	248.341	4.615	0	10	BJAE	
CCN[C@H](C1CC=CC1)C1(CC(C)C)CCCC1	2053665590	WKQXCWUTZZVENT-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CC[C@@](N)(CC1CC(C2CC2)C1)C1CCCCC1	2056651840	VXTWKODPMZRFMZ-PUJMQQBBSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@@H]1CCCC[C@@H]1C	2056880989	CFDODILWBZUNQC-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(C=C2CCCCC2)CC1	2056921255	YHFXJZMALFMDMS-RDJZCZTQSA-N	249.442	4.955	0	10	BJAE	
CC=CCCC[C@H](NCCC)C(C1CC1)C1CC1	2059225719	PZSFRHOWRYAQOS-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)[C@@H]1CCCC2(CC2)C1	2059261119	BXWJJXHAJLZFAW-BYQDXSGLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC=C([C@@]2(N)CCCC[C@H]2C(C)(C)C)CC1	2060914652	UEQSRVVZOAFSOK-KMFMINBZSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)[C@H]2CCCC(C)(C)C2)CC1	2061085160	PBMPOZSCJTZZSC-VNQPRFMTSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C([C@H](CC[C@@H]2CC2(C)C)NC)CC1	2061138940	BFDCFKVSBCKBDL-BMFZPTHFSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCC[C@]12CCC[C@H]1C2	2061593740	VQNNZBBSKWXUIT-QZWWFDLISA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCCCC1)C[C@]12CCC[C@@H]1C2	2061610586	AUKXBNACNJQLSJ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C(=O)CC1CC(=C2CCC2)C1)C1CCC1	2061695626	FWXXXLFOSZSKNY-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCCCCC23CC3)c1	2062019991	YAQYHQPSYZILFZ-INIZCTEOSA-N	243.394	4.828	0	10	BJAE	
CC[C@@H]1C[C@H](N)C[C@H](CC23CCC(CC2)CC3)C1	2065339948	QQLBKSMARHVLLV-JPLDOALUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(N)(C1CCCC1)C1CCCC1	2065935782	OQQMLSDEXWBWGG-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)C[C@@H]1CC12CCC2	2069196196	GEQOOJBIHNQZIG-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1NCC1(CC2CC2)CCC1	2069508047	ZINKZNNOYIPFRU-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@H](C)c1ccccc1	2070395819	TUQOBIKWUZLCFH-RDJZCZTQSA-N	246.394	4.678	0	10	BJAE	
CCCN[C@@H](CC(C)=C(C)C)c1ccccc1C	2072429263	MWTPDONSNRNMSK-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CC1(C)C[C@H]1CC[C@H]1CCNC2(CCCCC2)C1	2074141220	IOUUBEBXPRUTBK-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CCC(N)([C@@H]2C=CCCCC2)CC1	2075365125	KYYPWFLEBHPDSF-AQFXKWCLSA-N	249.442	4.811	0	10	BJAE	
CC=C(CC)[C@H](NCCC)C1[C@H]2CCCCC[C@H]12	2077193882	DUFARKPPLUGZPC-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H]1Nc1ccccc1C1CCC1	2077263929	GTEDBBBPGZHUCB-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
CCCC1(CC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1	2079487140	QFWZHMUZSYFXEH-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@@H]2C2CCCCC2)CCCC1	2079631751	CVVJFVNUHVQSDY-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](N)C1CC2(CCCCC2)C1	2079632748	JMAGACFMDZJAFB-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@](C)(N)CCCC(C)(C)C	2081206046	IFJYBSZHSDFHPU-QGZVFWFLSA-N	247.426	4.639	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CC[C@H]3CC[C@H]2C3)C1	2082988317	UYYFIHLMUNYONW-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCN1CCCCCCC1CC1	2213580307	YDRJYCSHRHCAGI-INIZCTEOSA-N	237.431	4.611	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)C(C)(C)C1CCCCC1	2215054026	WQBYUODSWQDSEJ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CCCCC(F)F	2216428728	MMDQYTQBHCEKTQ-ZDUSSCGKSA-N	247.373	4.536	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CC1	2218378083	NNTPHZYPWVMIDK-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@H]1CCCC12CC2	2218728553	ZSRPRVCJBBXFHD-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
N[C@@H](CC[C@H]1CC12CCCCC2)C1CCCCC1	2220289460	YEOMGCCENVSKLY-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1CC[C@H]1C	2220519536	IPZHMDICJKQAOC-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1CC1(C)CC2(CCC2)C1	2221039412	JADMNUSTOWUIBH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@@H](C(=O)CC2(C)CC3(CCC3)C2)C1	2221073435	URKIJNBOJZTJPQ-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@H](N[C@H]1CCC[C@H](C(C)(C)C)C1)c1ccoc1	2222269521	SAWRZQFDUMKVBL-QEJZJMRPSA-N	249.398	4.535	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](NCCC2=CCCC2)C1	2222269707	WRGQBZKRSMBOOT-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C(=C/c1ccccc1)\C[C@H]1CCCc2cccnc21	2226210193	IHGPSWYZEHNEEM-UFNQUYMESA-N	249.357	4.605	0	10	BJAE	
CCC[C@H](CC)[C@H](CCC=C(C)C)NCC	2244775832	RQHOADNGFMNJQW-GJZGRUSLSA-N	225.420	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](CC[C@@H]2CCCCC[C@H]2O)C1	2246710224	SJXNFFKIZRMCEG-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@](O)(CC)c1cc2ccccc2s1	2246856915	MGZBQUZLVRLMAG-HNNXBMFYSA-N	248.391	4.689	0	10	BJAE	
Cc1cc(NCC2=CCCCC2)c(C)cc1Cl	2247579061	YBOQGNCROKXCSN-UHFFFAOYSA-N	249.785	4.869	0	10	BJAE	
CC(C)CCC[C@H](C)CCNCC=C1CCC1	2250470399	ZPYMPZYCCQIIRS-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@]1(CN)C=CCC1	2250496203	PSFGVVWXQQJMPM-CVEARBPZSA-N	237.431	4.524	0	10	BJAE	
CC(C)CCC[C@H](C)CCCCNC1CCC1	2250513125	DNIYQOCIPGKDLX-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@](N)(C[C@]12CCCC[C@H]1CC2)C(C)(C)C	2251212149	PVDTUACIYUHAMS-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
Cc1cccc(-c2nc([C@H]3C[C@@H]3C)c(C)s2)c1	2252741948	BPXPRTLLQIIEJR-GWCFXTLKSA-N	243.375	4.550	0	10	BJAE	
CCCC1(C[C@H](N)C[C@H]2CCCCC23CC3)CC1	2253822722	SUPGWISUJRHTPQ-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CC2CC3(CCCC3)C2)C1	2254063855	VGPHZFIHOWEPDU-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
N[C@H](C[C@@H]1CCC12CCC2)C1CCCCCCC1	2254850532	VMYKNAZHAZBSBW-JKSUJKDBSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CC[C@H]2CCCC23CC3)C1	2255262637	YIZOEJJJXUKRPP-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2cc(C3CC3)ccc2F)C1	2259125552	GUITXXCUBXPEBJ-SMDDNHRTSA-N	247.357	4.694	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)[C@]12CCC[C@H]1CC2	2260506236	IUSCRACFLLDSCK-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@]12CCCC[C@@H]1CC2	2260527727	NYHHURYTVSUADI-WBVHZDCISA-N	246.394	4.807	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@]23CCC[C@H]2CC3)C1	2260575529	TXKRARPEIKJZOF-WBTNSWJXSA-N	248.410	4.742	0	10	BJAE	
CC1(CCNC[C@@]23CCC[C@H]2CC3)CCCCC1	2260577544	GGXCIEQDUKCGHH-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](C[C@@]12CCC[C@H]1CC2)C1(C)CCC1	2260581343	DELLDNYJNSIVFQ-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(N)(C[C@@]23CCCC[C@@H]2CC3)CC1	2260649198	VRSVPTLVNVYAOF-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@H](C)[C@@H](N)c1cccc(C2CCCC2)c1	2260661178	IEMWBOQQVULJMU-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CCC(C)(C)[C@H](O)c1cccc(C2CCCC2)c1	2260733611	NZDBSCLQNVUFDF-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@@H](C)CC1CC1	2298938880	JRLNUIOKKGFIJQ-DZKIICNBSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H](C)C1CCC1	2300871248	DCIHUBISMWFYRL-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CCC(=O)C[C@H]1CCCCC12CC2	2300875664	XVZBHPPAGKRYCV-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CN[C@H](CC1CCCCCC1)[C@H](C)C(C)(C)C	2301141195	WUKRZUNLJBOGND-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@@H](N)CC1CCCCCC1	2301142204	HJFXMJQFYVJSCO-IMJJTQAJSA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@@H](C)[C@](C)(O)CC[C@H]1CCC[C@@H](C)C1	2301903772	XBGPFKSOWFGGIR-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCC[C@H]1C	2301908669	VDFSFVCFAPVZBJ-BXUZGUMPSA-N	235.346	4.550	0	10	BJAE	
CCC[C@@H]1CCCCN([C@H](C)[C@H](C)C(C)C)C1	2301968477	RDCCZBZHUPIRDM-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
N[C@@H]1CCCC[C@@H](CCCC2=CCCCC2)C1	2302358683	JFWSKXYMKTYFTQ-JKSUJKDBSA-N	235.415	4.565	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)C[C@H]1CCC(C)(C)C1	2302682705	LVJHQXDCQVAGJW-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)CCCC[C@@H]2C[C@@H]21	2302987231	LKMJZHKBPDGBNW-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CC[C@H]1C(C)(C)C	2303403109	XCLBTQAUKFQIJN-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CCC(C)(C)CCNC[C@@H]1CCC(C)=C(C)C1	2303561930	MCQXHMXIGGIFPQ-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)c2cc(C)cs2)CC1	2303592108	HPMKLPCAEICYNF-CYBMUJFWSA-N	248.391	4.766	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CC[C@@H](C)C(=O)C2)CC1	2303593701	ZUPIXFAHDACDNV-YUELXQCFSA-N	234.383	4.518	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@@H]1CC[C@H](CC)C1	2307819660	OMOXRYBIHKAQLM-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)CC1(CNC(C)C)CC=CC1	2307900783	WECAFDUZEAOOLE-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C1(C)C(C)(C)C1(C)C	2307906034	BJKAZADFLGLVEH-CHWSQXEVSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H](CC)CCC	2307909742	LJWYPMBWJTULJM-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@H]1CCC)[C@@H]1C=CCCC1	2311585621	VLCMGGGXWFKTSR-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(NC(CC2CC2)CC2CC2)CCC1	2313607742	FHABKWSHJDMOSO-UHFFFAOYSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)c1cc(C)cc(C)c1	2316505256	YRBBMXQBOMEOKE-KRWDZBQOSA-N	245.410	4.700	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@@H]1C[C@@H]1C1CC1	2316536138	KTCDKOYMSBHFLW-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@@H]1CCC(C)=C[C@@H]1N)CCCC(C)C	2316536767	OBTQMJYIBGUVMV-SJORKVTESA-N	249.442	4.833	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1cc(C2CC2)ccc1F	2317989304	JXUMHRPQCNKHRK-RYUDHWBXSA-N	249.373	4.796	0	10	BJAE	
CN(C[C@@H]1CCC(C)(C)C1)[C@@H]1C=CCCCCC1	2319889638	QLMXQTLNYOMBQU-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@@](CO)(C[C@H]2C=CCCCC2)CC1	2320265892	OFCPOZAJKSDENR-DLBZAZTESA-N	248.410	4.622	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@@H](CC2CC2)C2CC2)CC1	2320518062	ZHZWDXVKFYNJMR-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CC=CCCCN(C)Cc1cccc(C(C)C)c1	2320655293	LPHWOKNGIXKNOD-UHFFFAOYSA-N	245.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCN[C@]23CCCC[C@H]2CC3)C1	2321630947	LKKWFKAJJXMZDA-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
COCCCCCc1ccc(C)c2ccccc12	2327587553	ZTXSQUWWEIKCGB-UHFFFAOYSA-N	242.362	4.507	0	10	BJAE	
CCCCCCNc1ccc(CCC)cc1	20360479	NOUYENNLGRTNSS-UHFFFAOYSA-N	219.372	4.631	0	10	BJAE	
CCCNC1CCCCCCCCCCC1	21800712	WNHMPWOOBQSOCX-UHFFFAOYSA-N	225.420	4.659	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1ccc(C)c(C)c1	21816130	JHPWYJWQXSOSPM-DOMZBBRYSA-N	233.399	4.930	0	10	BJAE	
CCN[C@H](CC(C)(C)C)c1c(C)cc(C)cc1C	35547848	YSXDONXJARJGGH-OAHLLOKOSA-N	247.426	4.699	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)c1ccc(C(C)C)cc1	36820033	DCRUAYSRKGLWOJ-INIZCTEOSA-N	247.426	4.897	0	10	BJAE	
CC(C)c1ccc([C@@H](Cl)c2cccnc2)cc1	40277547	OWMPAHMTUUYFSS-OAHLLOKOSA-N	245.753	4.533	0	10	BJAE	
CCC[C@H](O)CCC[C@H](C)CCCC(C)C	59217569	UGCXIXZVQXIFLH-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC(C)C)NCC	71085240	GTDKWUDUJREWES-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@H](C)Nc1ccc(Cl)cn1	71137491	FQOIBRIEQCFJRF-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
CCCNc1ccc(Oc2cccc(C)c2)cc1	83369628	FKGVIGLDAWDJSH-UHFFFAOYSA-N	241.334	4.609	0	10	BJAE	
CCCCC[C@H](CC)NC/C=C/c1ccccc1	83374562	QLWFXIZHQCLRQB-RTGRKSDTSA-N	245.410	4.648	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCCC)[C@@H]1C[C@@H]1C	88054435	FMABYILNUVOYGH-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@]1(O)CCCC[C@H]1c1ccccc1	94676118	ZWYRWROKGCCKHZ-IRXDYDNUSA-N	246.394	4.512	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@@H](C)CC[C@@H](C)N	107599994	GWKWKGRWTCFKAN-GXTWGEPZSA-N	247.426	4.523	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C1CCC(C)CC1	109738028	HAHOLLGPCARJFF-PRLABOORSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)NCc1ccc(C(C)(C)C)cc1	109946765	PAQCOYZKEZHOMA-AWEZNQCLSA-N	247.426	4.652	0	10	BJAE	
CC(C)c1ccc(C(=O)CC2CC2)c(C(C)C)c1	110171811	ZFNKEAWAAKZTJT-UHFFFAOYSA-N	244.378	4.916	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NCCC)C1=CCCC1	110230253	DJHFPVKNEBSZIU-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCCCC1CCC(CNC)(CC(C)C)CC1	110449459	SSYHTHNJZPTVII-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H](C)c1ccc(C)c(C)c1	111664478	BYMGCGKIGFJJKZ-HUUCEWRRSA-N	247.426	4.779	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)c1coc2ccccc12	122885379	UUTXTYKNTGGYTG-DOMZBBRYSA-N	245.366	4.520	0	10	BJAE	
CCCCC[C@@](C)(CNC(C)(C)C)C(C)C	127377372	PTKBPMNYEWAZFB-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](C)C(=O)c2ccccc2)C1	128269817	ZHDVWSRXYNQGIL-FMKPAKJESA-N	244.378	4.722	0	10	BJAE	
Clc1ccc(N[C@@H]2C=CCCC2)cc1Cl	136743033	SYXOEUOMAJZAEI-SECBINFHSA-N	242.149	4.514	0	10	BJAE	
CCCNC[C@](C)(CC1CCCCC1)C(C)C	164360057	GYKLJUSENJOIJW-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCOc1cc(Cl)ccc1Cl	166210160	OONBIUIRPOVRAF-UHFFFAOYSA-N	247.165	4.808	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NC)C1CCC(C)CC1	167874924	WVYOKZJNPYDLJM-BHDPWAOGSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)CC(=O)c1cc2ccccc2s1	168065779	CODVEJQISFCFFD-JTQLQIEISA-N	232.348	4.520	0	10	BJAE	
CCC1CCC([C@@H](N)CCC2CCCC2)CC1	168785019	OIWDCLGESLEHQY-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](N[C@@H]1C[C@@H](C)CC[C@@H]1C)c1ccccc1	222053004	MPJVGXCPNPSNIQ-XJNFMUPTSA-N	245.410	4.552	0	10	BJAE	
Cc1cc([C@H](C)NCCCC2CCCC2)c(C)o1	225017930	JRJBJARBDBQGEZ-ZDUSSCGKSA-N	249.398	4.517	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1CCCC1(C)C	226911340	YSBKJHWPBMKNQL-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CCCC(C)C)CC1CCCCC1	229172653	YNNDPXBSEJHVMR-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CCC[C@@H](C(C)C)C2)c1	230986216	PYPLAZJGFPPNQE-HZPDHXFCSA-N	245.410	4.930	0	10	BJAE	
C[C@@H]1CC[C@H](Oc2ccccc2Cl)C[C@H]1C	251933436	VMPLLTNULAVZKW-UTUOFQBUSA-N	238.758	4.544	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)CCC1CCCCC1	300956625	PUAACYJNLDJIJL-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(O)CCCC[C@H]1C(C)C	305919231	HKCBJBBBCXFFSR-HRCADAONSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1cccc(C2CC2)c1	305922578	MOQLCWOSBFOQBK-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CSc1c(Cl)ccc2scc(S)c12	306576302	KIKKCDQREZGFNJ-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
Cc1ccc(Cl)c2scc(Cl)c12	306860887	FNRUDZPQNZYGIA-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCc1c(Cl)ccc2sc(Cl)cc12	306914765	SJSOPSQAYNKRGX-UHFFFAOYSA-N	231.147	4.771	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)C[C@@H](C)c1ccccc1	308091536	HVWLHMICTYCYDJ-BFYDXBDKSA-N	247.426	4.580	0	10	BJAE	
CC1(C)CCC(CC2(N)CCCCCC2)CC1	310121131	IBJOZYZDUAHROH-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CC1(C[C@H](O)[C@H]2CCCCC2(C)C)CCCC1	310348031	GKQVTFJVMGIDSJ-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC(C[C@@]2(O)CCC(C)(C)C2)CC1	310394944	JJUXXOJMWRUVJO-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)N[C@H]1CCCC12CCCCC2	313094821	CZLXSBAPLGILMY-CABCVRRESA-N	237.431	4.658	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)C1(CC(C)C)CCCC1	318736568	JUQFJXJUPSKBIR-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)[C@H](C)C1(O)CCC(C(C)(C)C)CC1	319046062	UYMPAPJKIPBIEC-NNNQGMHWSA-N	240.431	4.636	0	10	BJAE	
CC(C)=CC[C@@]1(CNC(C)C)CCC[C@@H](C)C1	319267882	ZWDOCJNPRLZKDF-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H]([C@@H](C)[C@H](C)CC)C1(CCC)CC1	320166023	YIVNFFJHHRHJPJ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@H](NC(C1CCC1)C1CCC1)C1CCCC1	324899400	HMODUAMRQYRTPD-INIZCTEOSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CCCC(=O)[C@H]1CC2CCC1CC2	379926279	SKGVCFITHADCFB-RUXDESIVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCCCC(=O)C(C1CC1)C1CC1	383193444	XEMIGMYYJBTPER-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CCC2=CCCCC2)C1	385256789	XUQWQLVMFGUCMX-DJIMGWMZSA-N	249.442	4.811	0	10	BJAE	
CCCCC[C@H](NC)c1ccc2sccc2c1	386348832	UJFYPZJRLBPVGV-AWEZNQCLSA-N	247.407	4.742	0	10	BJAE	
CC(C)CCC[C@H](O)c1ccc2sccc2c1	386605311	GZNVDIPXKHGBPN-AWEZNQCLSA-N	248.391	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NCC)[C@H]1C[C@@H]1CC	387694676	YGPZHIIMICYYLX-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1C[C@@H]1CC(C)C	388023172	OTIUYYUIMJVKRN-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCc1cccc(C(=O)[C@H]2C[C@H]2CC(C)C)c1	388106622	XVNAODOXPDJZCE-CVEARBPZSA-N	244.378	4.504	0	10	BJAE	
CCC[C@H](NCC1(CCC)CCC1)C1CCC1	391767356	AYNPVHXFJDDCGE-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)C[C@]1(O)CCCC12CCCC2	392833140	HCQGLMSFTICFRH-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CC[C@H](NCC(CC)(CC)CC)[C@@H]1C	395215331	JWUDVPJBNHYSFF-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC1=CCCCC1)[C@@H](O)c1ccccc1	395323868	NSPYBMQNVNEIEP-RHSMWYFYSA-N	244.378	4.637	0	10	BJAE	
CCOc1cc2cc(Cl)sc2cc1CC	396192358	QVEAGWBFFAJVOA-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1ccc2scc(C)c2c1C(F)(F)F	396202824	UAJOYYDAJDBFTQ-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
CCC[C@H](Nc1cccc(C)c1C)[C@H]1CC1(C)C	397608245	NHHYSEKVKNRKSO-ZBFHGGJFSA-N	245.410	4.930	0	10	BJAE	
CCc1ccc(C(=O)[C@@H](C)C(C)(C)C)cc1CC	399042491	RYWFVDAGHNVOTA-GFCCVEGCSA-N	246.394	4.676	0	10	BJAE	
Clc1cccc(CSc2cccs2)c1	518336910	CQOPVNZDHJRIKS-UHFFFAOYSA-N	240.780	4.694	0	10	BJAE	
Clc1ccc(CC2CC=CC2)cc1Cl	606287352	LQSTVORHBWNYHH-UHFFFAOYSA-N	227.134	4.502	0	10	BJAE	
CCCN[C@@H](c1cccc(C(C)C)c1)[C@@H](C)CC	688950604	MLQODMUIZISGSY-WMLDXEAASA-N	247.426	4.897	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H](C)CC1CCCC1	689793812	UXQIWFQSJIRQAC-LBPRGKRZSA-N	235.346	4.515	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCCCC[C@@H]1CC	691087140	HSRIYXNFQOYQMR-HRCADAONSA-N	239.447	4.904	0	10	BJAE	
CCC[C@H](C)C[C@H](CC(C)(C)CC)NCC	696162911	FGHVFTQJXCICOE-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@H]1CCCC2(CC2)C1	696573756	PNZGNHOUKURPQD-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CCn1ccc2c(C)cccc21	696781084	IOHBBFCCAKJGMO-UHFFFAOYSA-N	229.367	4.776	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C[C@@H](C)C(C)(C)C	697760103	XULXIOZHIGWBQQ-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H]2C[C@@H]2C(C)(C)C)c1	700010245	DACAEXLVHWFHBX-JYJNAYRXSA-N	246.394	4.526	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@]1(C)CC[C@@H](C)C1(C)C	701225306	AIRNSNGLIKNCFV-WWGRRREGSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC(CNc2ccc3ccccc3c2)C1	701948488	KEVDMUXLIRXKOZ-UHFFFAOYSA-N	239.362	4.688	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Oc1cccc2ccccc12	704921979	IYVGXCYQSABDNT-CJNGLKHVSA-N	240.346	4.797	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(N)C1CCCC1	704965578	DMLKCWBZZPYECL-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
c1ccc2c(N[C@H]3CCCC34CC4)cccc2c1	706577435	SAIWKRSJYQKPOE-INIZCTEOSA-N	237.346	4.584	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNCC[C@@H]2CC=CCC2)C1	706869136	NPGNTPHABHOLEE-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](c1cccc(C(C)C)c1)[C@@]1(C)C[C@H]1C	707772149	WDEIKRGONZPODR-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@@H](C)CC(C)C	708298467	SQBASWSTCBOPDN-LSDHHAIUSA-N	227.436	4.602	0	10	BJAE	
C[C@H]1C[C@H](C(=O)C23CCC(CC2)CC3)CC[C@H]1C	710324282	SFQWFNRZWXQTGP-SFKIEKTPSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(O)C[C@H]2CC[C@H](C2)C1	711200811	FWTPVTJTDXQQGS-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CC(C)(C)CC[C@H]1C	713069197	XJHSIVOUAGQSRY-IAQYHMDHSA-N	249.373	4.761	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C(C)C)C(C)(C)C	713138508	CUYKSUGOMVFIGU-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CCCNC[C@@](C)(CC(C)(C)C(C)C)C(C)C	713215042	YWWSCTOLJJVCEV-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CCC1CCC([C@H](N)CC(C)(C)C(C)C)CC1	713271011	ZSEDKGJTPMTEQG-YMAMQOFZSA-N	239.447	4.602	0	10	BJAE	
C=C/C=C\CC[C@@H](N)c1cccc(C(C)(C)C)c1	713712517	VLLOJECPKDNZLM-MWWKQMNYSA-N	243.394	4.506	0	10	BJAE	
CCC[C@H](CCCCC(C)=C(C)C)NCC	718654519	TUTLAIWKTOZFSD-OAHLLOKOSA-N	225.420	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(CN)CCC=CCCC2)C1	718978133	IJUKRHCNDZUVIU-IKGGRYGDSA-N	249.442	4.668	0	10	BJAE	
CCCCC[C@H](C)NCc1cccc(C(C)C)c1	1177148516	IJVKFMQIOJXYSI-HNNXBMFYSA-N	247.426	4.868	0	10	BJAE	
Cc1cccc(CS[C@@H](C)CC(C)C)c1	1559412847	GIWOHXYTLSCNFA-ZDUSSCGKSA-N	222.397	4.663	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CC=C(C)CC2)CC1	1560799251	ZKFQEYJMUWFIOT-OAHLLOKOSA-N	249.442	4.824	0	10	BJAE	
C1CCCC(CN2CCC[C@@H]3CCCC[C@@H]32)CC1	1659519772	FJPZLIWMKCJHDO-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(C)=CCCNC(C)C	1876996618	UAUKORZXWYFLNY-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(O)CC1CCCC1	1905375037	SYACQJMHIRAYEK-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](CC)CCC[C@@H](CC)CCC	1905446158	TUCQSAKCAGJVBQ-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
Cc1cc(Cl)cc2c3c([nH]c12)C[C@H]1CCC[C@@H]31	1906333241	QDRGWFVZTJELHG-MWLCHTKSSA-N	245.753	4.570	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CC1CCCCC1	1908589509	JTQVPOWMVMNZIR-HIFRSBDPSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H](C)CCC	1920201205	GITOTAWHBVUPIM-KGLIPLIRSA-N	213.409	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](N)(c1ccccc1)C(C)C	1920435240	JQENEIRZVMRSIJ-RDJZCZTQSA-N	247.426	4.569	0	10	BJAE	
CCCCCC[C@@](C)(O)CC[C@@H]1CC1(C)C	1921547398	XAXTWAIZBVUDFG-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@@H](C)C1CCCCC1	1924077337	ZYFMWJVOIGQYJE-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)[C@H](C)C2CCCCC2)C1	1924097960	DTOWKJYTJBMAHH-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CCCC1CC([C@H](C[C@@H]2C=CCCCC2)NC)C1	1925772630	NPWTZNGAMAWIBO-VXLLPVPCSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@H](O)CC[C@H]1CCCC1(F)F	1940706109	NKCNJCBSYLVDFH-OLZOCXBDSA-N	248.357	4.533	0	10	BJAE	
C[C@@H](CCCCCC1CC1)c1cccc(N)c1	1941597563	SNBGVJJSYSUWDJ-ZDUSSCGKSA-N	231.383	4.733	0	10	BJAE	
CC(C)CC[C@H](C)[C@]1(N)CCC[C@@H](C(C)C)C1	1942661886	XCFHJBQEYCIWNY-XHSDSOJGSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC(C)C)C(C)(C)CC	1942662260	PRRZPDFHOIFBDU-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC(=O)C(C)(C)C1CCCCC1	1944647019	QWDHVAYQYBHRMJ-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)(C)CCCNCCC1(C)CCCCC1	1945423529	GRIUQQFFXNUOHW-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCSc1cccc(NC2CC3(CCC3)C2)c1	1946640996	KYZPLVPRIUZNJP-UHFFFAOYSA-N	247.407	4.543	0	10	BJAE	
Cc1cccc(C(=O)C[C@H]2C=CCCC2)c1Cl	1947550954	AWYRSCZVVPGFPD-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
C[C@H](NC1CCCCCCCCC1)[C@H]1C[C@H]1C	1947864385	OFJJESHCILVNCW-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCC[C@@]1(CO)CC12CCCC2	1948142298	RHGMQAURVBQXBA-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@@H](C)[C@@H](C)CC(C)C	1948332683	NQRQAJIYSPELPU-VGWMRTNUSA-N	241.463	4.717	0	10	BJAE	
CCCN[C@@H](CCCCC(C)(F)F)CC(C)C	1948849863	OUCQQYQNNCZRSF-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CCCN[C@H](CCCCC1CCC1)CC(C)C	1948850143	PHOMJGKKWSQIBV-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H]([C@H]2CCCCCCCCC2=O)C1	1949498699	XTAZAUFYSTWZSW-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
CCC1CCC(C[C@@H](N)CC2CCCC2)CC1	1949862533	RCYCQXDDVUFRCJ-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCSc1cccc(N[C@@H](CC)CC2CC2)c1	1950110464	HZXMQSWPSTXBSD-ZDUSSCGKSA-N	249.423	4.789	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@H]1CCC[C@@H](C)CC1	1950910609	ICAQDYRAOWOPQG-KBMXLJTQSA-N	238.415	4.700	0	10	BJAE	
C[C@H]1CC[C@@H](COc2cccc3ccccc23)C1	1968275458	KYOYELMBRJYUKU-UONOGXRCSA-N	240.346	4.655	0	10	BJAE	
CCCC1CCC([C@H](C)NCCC(C)C)CC1	1968285580	ULRRNTAHFWRRIP-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N[C@H]1CCCC2(CCC2)C1	1970498320	VPIGBHURMMQPOX-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCC1(CN[C@@H](C)C2CC3(CCC3)C2)CCCC1	1971013100	FJGCNILUBSAUFA-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NC1CC2(CCCCC2)C1)[C@@H]1CC1(C)C	1972536746	XUEOKBBOTLIPPZ-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1cccc2ccsc12	1977422749	QLAYLUYDPOGANK-PWSUYJOCSA-N	231.364	4.502	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCCC(C)(C)C1	1978374959	PQBGVIVKCRUDBN-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCc1csc([C@@H]2CCCC(C)(C)C2)n1	1980273770	IAYYHEQEBVDEJJ-LLVKDONJSA-N	237.412	4.779	0	10	BJAE	
CCCN[C@@H]1CCCCCCC[C@@H]1CCC	1980351519	OMQZEOCKZNIBSC-LSDHHAIUSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](CCCC(C)(C)C)C1	1982567409	NQPIIVVNBVNNDV-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)(CC)[C@H](O)c1cc(C)c(C)s1	1989976982	QQISZBIXNASHQU-CYBMUJFWSA-N	240.412	4.615	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](C)C1(C)CCCCC1	1995992479	YRGZZDHQQIHUCF-RRFJBIMHSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H](N)CCC2CCCCC2)C1	1996248669	XNOCNJIBRUYDRS-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC(C)C)C[C@@H]1CC[C@H](C)C1	1996261389	VTCJWGYBKQWXHD-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](NC)[C@H]1CCCC[C@H]1CC	1996612110	WBXBBAXSDXWENG-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](CC1CCCCC1)NCC	1996616226	KWUZMVNXQHRYLE-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CCC[C@H](CNCCC=C(C)C)CC1	1997215915	RVTPMASAZCFWDB-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CC(C)CC[C@@H](C)N[C@@]1(C)CCCCC1(C)C	1997430456	XUMZLPAAERADAL-ZBFHGGJFSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@@H]1CCC=CCCC1	1999984697	BIDNZMXLVLTJLZ-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@](C)(CCCCCC1CC1)CNC	2000514472	NVQMMMNTUZRNHT-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@@H]1CC12CCCCC2	2001212843	BZDMYLCLXMQBNN-HUUCEWRRSA-N	237.431	4.502	0	10	BJAE	
CC1(C)CC[C@H](NC2CCCCCCCC2)C1	2003101554	XLWQHHLFBMZVJI-HNNXBMFYSA-N	237.431	4.658	0	10	BJAE	
CCC(CC)CC(=O)CC1CCC2(CC1)CC2	2003278119	RPFCXTRJYZEUEU-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCCNC[C@@H]1CCCCC1(C)C	2005582536	HPFLFFZRGVFTRI-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CC(=O)C[C@H](C[C@@H](C)C2CCCCC2)C1	2006660503	HHJLNMGXORLEBY-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)c1cscc1C	2007940808	VKHFKVZTQMBHHW-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1CCC(C)(C)CCC1=O	2009403391	BOBQDPRMSNFXTG-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@H](N)[C@H](CCC2CCCC2)CC1	2009405340	YEBLYDQHVBOGDB-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1csc2ccccc12	2009574204	AVUTZKDYGXTIBX-BAABZTOOSA-N	245.391	4.648	0	10	BJAE	
CC=CCCC[C@@H](N)c1ccc(SCC)cc1	2009598510	OPHVPLOMKIJDCC-OAHLLOKOSA-N	249.423	4.545	0	10	BJAE	
CC=CCCC[C@]1(CNCC)CC[C@H](CC)C1	2009616005	FAZKOBFPUGIOND-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC[C@](O)(CC)C1=CC[C@@H](C(C)(C)C)CC1	2010723237	UALKJWLITPMGTF-CZUORRHYSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C(C[C@@H](N)C(C)(C)C)CC1	2010729508	OWOKAZJTVCBODL-ZIAGYGMSSA-N	237.431	4.523	0	10	BJAE	
CCCCC[C@](C)(O)OCC(CC)(CC)CC	2011166330	LMQVXYFSOVWMGZ-CQSZACIVSA-N	244.419	4.508	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@@H]1C)C(C)(C)CC	2011576614	MVHKMHOIRABBHN-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@]1(N)C=CCC(C)(C)C1	2012050825	FXKGVSXQYRKUBT-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CC(C)C(C[C@H](O)C[C@@H](C)C(C)(C)C)C(C)C	2015271468	ACMHIGRTACKKCX-ZIAGYGMSSA-N	242.447	4.738	0	10	BJAE	
CCCC1(CC(=O)c2cccc(C)c2)CCC1	2015597130	ADWGTAASFAQKAR-UHFFFAOYSA-N	230.351	4.538	0	10	BJAE	
CCCC1([C@@H](O)CC2(C(C)(C)C)CCC2)CC1	2017117278	TZVIRHHHKNGZES-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)CN(C)CC1(C(C)(C)C)CCC1	2017128732	GLULBSMZNHYCBF-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CC(C)=C(C)COc1cccc2ccccc12	2017468709	MGSRGCUJEDTMKC-UHFFFAOYSA-N	226.319	4.575	0	10	BJAE	
CC[C@H]1CC[C@](N)(C[C@H]2CC[C@H](CC)CC2)C1	2017732317	ZYVQYKSYCRAXTL-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2CC[C@H](C)C2)CC1	2017770070	HJCXHDWKJMUNCN-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CCC1(C[C@@H]2C[C@@H](C(C)(C)C)CCC2=O)CC1	2018921534	ODHDLTVXBQNZCH-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@H](CC1(CC)CC1)NC)C(C)(C)C	2018999728	MFSRIGYZFYJVAL-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@](N)(CC)C2CCCCC2)CC1	2019002898	VUOFTVWCDBGLLK-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC1CCC(CN(C)[C@@H](C)CC(C)C)CC1	2019295576	NCYXDOIOTZTHSR-FHERZECASA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@H]1C[C@@H]1C1CCC1	2022316123	ORDXGUCLXRNGNT-CFVMTHIKSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](CCC(C)(C)CC)NCC	2022382946	ICHFVXGKIYIUDS-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1C[C@@H]1C1CCCC1	2022410796	BXENJBMRQBYRJX-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1C[C@H]1C1CCCC1	2022558989	ATKQLLLVPBORIJ-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](N)CCCC1CC(C)(C)CC(C)(C)C1	2024091965	MQQMZIIHBBCXBN-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CC(C)C[C@@H](CN)CC[C@@H]1CCCC(C)(C)C1	2024096047	UFHHYOKFNCJIIW-GJZGRUSLSA-N	239.447	4.604	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@H](O)C2CCCC2)C1	2024119888	RUUCROBAEOMEFY-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@@H]1CCCC(C)(C)C1	2024123134	KSSMYONTMYSDJL-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C1CC(C(C)C)C1	2026172898	YQPOOSMDMFRSBN-SLTXQBBLSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc2ccn(CC3(C)CCCCC3)c2c1	2027275101	HGOPFXUKGSKCAA-UHFFFAOYSA-N	241.378	4.920	0	10	BJAE	
CC1(CC(=O)[C@H]2CC3CCC2CC3)CCCCC1	2027294679	BXAKTTKNTXBMJY-NRXISQOPSA-N	248.410	4.742	0	10	BJAE	
CC1(CCC[C@H](O)c2ccccc2)CCCCC1	2027305402	ZKKRULSOYROJEO-INIZCTEOSA-N	246.394	4.861	0	10	BJAE	
CC(C)c1ccc([C@H](O)CCCC2(C)CC2)cc1	2027832018	JYLPVYWYORUVIN-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)c1ccco1	2028642457	ARIRSMNEWUASRE-OAHLLOKOSA-N	249.398	4.681	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](N)c1ccccc1C1CCC1	2029076046	WTIDZACMEFZGIR-GDZNZVCISA-N	245.410	4.636	0	10	BJAE	
CC1(N[C@@H]2CCC23CCCCC3)CCCCCC1	2033415342	SOTGOEKKFZWESP-OAHLLOKOSA-N	249.442	4.802	0	10	BJAE	
CC1(CC(=O)C23CCC(CC2)C3(C)C)CCCC1	2033434844	KAAOCSONHFSUHU-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC1(CCCNC2CC(C3CCCCC3)C2)CC1	2033833831	HBYNOKQYYGNSFN-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)[C@@H]2CCC3(CCCC3)C2)C1	2037683082	QEGJRQFLSMNABB-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CC1CCC2(CC1)CC(N)(C[C@@H]1CCC[C@H]1C)C2	2038932742	HSCNQJOJYLDDAU-QZAQUIPZSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CC23CCC(CC2)C3)C1	2039353377	FRSSNMHBYACXAS-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc([C@@H](N)C[C@H]2CC[C@@H](C)C2)cc1	2040138545	PFGQYIWBQSAMIM-KEYYUXOJSA-N	245.410	4.636	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1ccc(C(C)(C)C)cc1	2040724536	WMPUAEWEVFHZNX-HNNXBMFYSA-N	248.410	4.844	0	10	BJAE	
N[C@@]1(CCCCCC2CC2)CCCC2(CCC2)C1	2041287704	MQPNXYPYMUMGDA-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CCC1)C1(C)CC=CC1	2042027471	NILKGOAMFRBRSL-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCCNC1C[C@@H]2CC=CC[C@H]2C1	2042341319	FNFZTTGYMXQSIG-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1=CCCCC1)N[C@H]1CCC2(CCC2)C1	2043612002	LMFMNAWPMNSONU-HOCLYGCPSA-N	247.426	4.578	0	10	BJAE	
CC1CCC(CN)(C[C@@H]2CCC=CCCC2)CC1	2045316455	DRXVQGUJLQDLJU-AQFXKWCLSA-N	249.442	4.668	0	10	BJAE	
C1=CCC[C@H](CNCCC2=CCCCC2)CCC1	2045328474	FNXPJVDXDPSTIH-KRWDZBQOSA-N	247.426	4.603	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)CC1(C)CCCCC1	2045682718	PUDJMGVFNNIAHF-ZBFHGGJFSA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CC[C@@H](CC2(N)CC3(CCCCCC3)C2)C1	2046233605	QARGSHBBHCHBOW-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CN(C[C@H]1C=CCCC1)[C@@H]1CCCC(C)(C)CC1	2046561680	IZDYXFWVCKHDCZ-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)C[C@H]1CC12CCCCC2	2047058342	IHNNLSXEWJUBIF-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
C1CCC[C@@H]2[C@H](CC1)C[C@H]2NCCCC1CCC1	2047446700	MAOBOEISZVHJTO-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C[C@H]1CCC12CCC2	2047929496	RGDIGRGCPXWUIN-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21)C1CCC1	2048470809	WVSPVEZVMKWMQG-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
N[C@]1(CC2CCC3(CC2)CC3)CCC=CCCC1	2049847224	AAKWINAGBLTPQX-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1C[C@H]1CCCC2(CC2)C1	2049852488	BXVYXLGSFRLGQJ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C1CC(CC2CC2)C1	2050219845	QPVAUHWACJHGMA-JCYILVPMSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc([C@@H](O)CCCC[C@@H]2CC2(C)C)cc1	2050427761	CKTLTSNKUATVFA-CVEARBPZSA-N	246.394	4.635	0	10	BJAE	
Cc1cccc(C(=O)CCC2CC3(CCC3)C2)c1	2050456681	TXWQUQGJEJCPIQ-UHFFFAOYSA-N	242.362	4.538	0	10	BJAE	
CC(C)=CC[C@]1(CNC(C)(C)C)CCCC12CC2	2053355143	ICJMGMCFFZYNFL-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
O=C(C[C@H]1C=CCCC1)[C@@H]1CCCCC12CCC2	2053356659	FYSJLYXFWARNNO-GJZGRUSLSA-N	246.394	4.662	0	10	BJAE	
CC1=C(C)[C@](O)(c2ccc(C(C)C)cc2)CCC1	2055592541	QIPZMLSGUMGBIT-KRWDZBQOSA-N	244.378	4.518	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@H]1CC(C)=C[C@H](C)C1	2059173255	QXSYTKSUGIKYOL-NUEKZKHPSA-N	249.442	4.537	0	10	BJAE	
CC=CCCC[C@@H](NCCC)c1ccc(C)cc1	2059225023	IODDCTJBJRYJFO-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CC[C@](N)(CC1CC1)C1=CC[C@@H](C(C)(C)C)CC1	2061113092	LNNBZMMGLJHXJW-PBHICJAKSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC2(CC(Nc3ccc(CF)cc3)C2)C1	2061137189	HTRVTDOYPJJTAY-UHFFFAOYSA-N	247.357	4.537	0	10	BJAE	
CC[C@H]1CC=C(C[C@@H](N)CC2CCCCC2)CC1	2061143848	MVPGHDILOOHEHN-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC(C)c1ccc(OCC[C@@]23CCC[C@H]2C3)cc1	2061595516	HHTFJDMPVNGTSE-DOTOQJQBSA-N	244.378	4.769	0	10	BJAE	
CCN[C@H](CC1(CC)CCC1)C[C@@]12CCC[C@H]1C2	2061618887	XILBQROGTUUTBD-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
C[C@](O)(CC1CC(=C2CCC2)C1)C1CCCCC1	2061681939	FVBGSPFIEJINOQ-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CC1CC(=C2CC2)C1	2061684963	MGFNVCNUSSIHFR-DLBZAZTESA-N	248.410	4.598	0	10	BJAE	
Cc1cc(N[C@@H]2CCCCCC23CC3)ccc1F	2062016106	DIDSMDKXCHZCNB-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
C1=C(CCN[C@H]2CCCCCC23CC3)CCCC1	2062016911	KWEZCAQDOKFJQH-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCCCC23CC3)cc1F	2062020364	ZMOJMMYDELYYTJ-OAHLLOKOSA-N	247.357	4.659	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCNC3(CCC3)C2)CC1	2063232730	QRJSFVQHLXWUTI-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063509717	PPQISGLKHFFJNL-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C23CCCC2CCC3)C[C@H]1C	2063850018	CELRUUVIHXTETL-GQZRKWLBSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC23CCC(CC2)CC3)C1	2065262010	DQSOMKXMFZALKE-GYXIZQIFSA-N	249.442	4.515	0	10	BJAE	
CC=C=CCCN[C@@H]1CCCC2(CCCCC2)C1	2067325637	LPHYACZDHFHTNL-SLGIGSDESA-N	247.426	4.590	0	10	BJAE	
N[C@@H](C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCCCCC1	2068781169	QTWYZUSNUXAVBI-LLLHUVSDSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc(N[C@H]2CC[C@H]3C[C@@H]2C3)cc1	2069220230	IQCILVOIQVBRJC-UXLLHSPISA-N	243.394	4.630	0	10	BJAE	
CCc1cc(N[C@@H](C)CCC=C(C)C)ccc1F	2070396588	BLTZCAVGZPYKRS-ZDUSSCGKSA-N	249.373	4.935	0	10	BJAE	
CC(C)(C)C1(CC(=O)C2CC(=C3CC3)C2)CCC1	2071916433	ZEFROWOXPCMEHN-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@@]23CCCC[C@@H]2C3)CC1	2072795108	ANMRLVKEHXBVGP-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CNCCC2=CCCC2)CC1	2072796429	OLMHDALYBHAIGC-JCNLHEQBSA-N	249.442	4.683	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@]2(N)CCCC3(CC3)C2)CC1	2072802320	WPOKSNZWBHWVSF-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)C[C@]12CCCC[C@H]1C2	2074096360	XWYWGVUFRORSOX-YVEFUNNKSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CC[C@@]12CCC(C)(C)C2	2074900700	SGBFWBDWVHYOQE-HLLBOEOZSA-N	249.442	4.610	0	10	BJAE	
CCc1ccccc1CN(C)[C@H](C)C(C)(C)CC	2075207008	DRRGXHKIURKEIX-CQSZACIVSA-N	247.426	4.506	0	10	BJAE	
OC(CC1=CCCC1)(C1CCCC1)C1CCCC1	2075720330	HJFYXKYJJIUXFZ-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@H]([C@H]2CCC3(CCCC3)C2)[C@@H]1N	2076399374	BJSOVFBWPONRJB-ZNMIVQPWSA-N	249.442	4.501	0	10	BJAE	
CC=CCCCNC[C@@H]1C[C@H]1C1CCCCCC1	2079461841	LXYZVXJCLXFHBM-IRXDYDNUSA-N	249.442	4.539	0	10	BJAE	
CC=CCCCNC[C@H]1C[C@H]1C1CCCCCC1	2079461844	LXYZVXJCLXFHBM-SJORKVTESA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCC1	2079493267	WMMKUHWLVXENIH-DMRZNYOFSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)[C@H](NCC)c1cc(C)cc(C)c1C	2082919079	NQTFAQNFYKMIBS-KRWDZBQOSA-N	245.410	4.619	0	10	BJAE	
CC(=C[C@@H]1CCCC(C)(C)C1)c1ccc(N)cc1	2082980176	SUTVVXBZTPXYMP-AWEZNQCLSA-N	243.394	4.889	0	10	BJAE	
CC[C@@H]1C[C@@H]2CC[C@H](C1)N2[C@@H]1CCCC(C)(C)C1	2084521191	VYPJULNAOJFJJZ-QKPAOTATSA-N	249.442	4.608	0	10	BJAE	
C[C@@H](CC/C=C/c1ccccc1)CC(F)F	2210663294	ZYTSSZNXZJOCCA-JXPAYYINSA-N	224.294	4.771	0	10	BJAE	
CC1(C)CCCC[C@H]1[C@H](O)CCCCC1CC1	2214580894	MMWNHTIQPNOZBG-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H]1CC[C@@H]1C)NCC	2214955937	PNRDLDXHVGGYQL-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CCSc1ccccc1NCC[C@H]1C[C@@H]1CC	2215312613	LVEBFCWRGPGMKC-STQMWFEESA-N	249.423	4.647	0	10	BJAE	
CC[C@@H](C)C[C@](O)(CC)CC1(C)CC(C)(C)C1	2215382369	FDUPKQCDMPBPQV-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCOC(CCCCCCCC1CC1)OCC	2216861623	VYDXRXSVARPWJZ-UHFFFAOYSA-N	242.403	4.526	0	10	BJAE	
CC[C@@H](C)NCC(CC)(CC)CC(F)(F)CC	2217127276	GZYYUYWUUNZPKE-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@](C)(CCCC(F)F)CN[C@@H](C)CC	2217127881	IRETWDXCGMGSGV-JSGCOSHPSA-N	249.389	4.616	0	10	BJAE	
CC[C@H](C)NC[C@@H](C[C@H](C)C(C)(C)C)C(C)C	2217145028	LGXIUXRZGRAYLM-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218331151	JXTREHRHUZZQEB-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)C1C[C@H]2CCC[C@H](C1)C2	2218342242	ZSWLZQDPSRGCRG-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
C(CCCC1CC1)CCNC[C@H]1CCC2(CC2)C1	2218725347	LWXZFAUSVJBSRG-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccc([C@@H](O)CCCCC2CC2)cc1	2220027594	JQPUAKKGUAYJQF-KRWDZBQOSA-N	246.394	4.814	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)C1CC2(CCCCC2)C1	2220959467	KKFRYEDVIBCJKH-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(C)([C@H](N)CC2(C)CC3(CCC3)C2)C1	2221027661	IVHJOAFOFODYKL-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
CC(=CC1(C)CC2(CCC2)C1)c1ccc(N)cc1	2221035768	SSURRPHYFMDUSP-UHFFFAOYSA-N	241.378	4.643	0	10	BJAE	
C(CCCC1CC1)CCCN1C[C@@H]2CCCC[C@@H]21	2223110625	PLXPOLNCKWFIAS-IRXDYDNUSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CC=CC[C@@]1(N)CCCCCCCC1CC1	2223130461	MXUQCCXEFAHYCE-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CNCC2(CC2)C1	2223164415	WPLHPPUJRWHIDT-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
Cc1cc(F)cc(-c2ccccc2C(C)C)c1N	2223557876	JLZAFEVUXGQWOO-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
CC1(C)CCC[C@H](CC2(CNC3CCC3)CC2)C1	2223564790	IYWIBYYGEWTNCE-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@]1(C[C@@H]2CC[C@@H](C)C2)C=CCC1	2223601680	WWQFAFYFGJLPED-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@@H]2CCC[C@@H]2C)C=CCCC1	2223603210	XHWVPVQFLASRBZ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)[C@@H](N)CC[C@H]1CCCCC12CC2	2246623404	MHBSQENKIXTION-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)CCCC(F)F)C1	2246665367	KNZIXSZLRFOGFG-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC(C)(C)CC[C@](C)(O)C[C@H]1CCC12CCC2	2247414974	HQXSIEBPFYBMPO-HIFRSBDPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@H]1CCC1(C)C	2247443726	KMBTUTUANZKLNH-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@H]2CCC2(C)C)CC1	2247447732	NPVDJXIBRCEODM-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCNC1CCCCCC1	2248864228	BKFOTVQOSNZUFK-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1CC(C(C)(C)C)C1	2250355581	LQXFOWGRSXMEDX-SHWKFHJASA-N	239.447	4.602	0	10	BJAE	
CC[C@]1(CC[C@H](C)CCCC(C)C)CCCN1	2250470385	ZMJUHNHYCJPESY-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)CN[C@@]12CCCC[C@@H]1CC2	2251138301	KTFLPJSIGUSQHA-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](O)(CC1CC(CC(C)(C)C)C1)C(C)C	2251492459	LQOIMIWRLCNCLL-ZBCRRDGASA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1NCC[C@H]1CCCCC12CC2	2253893223	CCYNXFSVAKBFMA-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(OCC2CC3(CCCC3)C2)c(C)c1	2254082019	JDRMPGGUDSQSNJ-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CCCC[C@H]1C[C@H]1C	2254607407	IEZXGGAWDQKOCF-PMPSAXMXSA-N	245.410	4.520	0	10	BJAE	
CC(C)CC[C@]1(CNC2CCC2)CCC12CCC2	2254854424	JCOOFIRNUXWONB-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@](C)(N)C[C@H]2CCC23CCC3)C1	2255008992	NAQXAFRKMQRYKV-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC1(C)C)[C@]1(C)C=CCC1	2255017249	WKQKSXAGAVBRST-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(CN)(CC2=CCCCC2)CC1	2255098786	FXXMMQHRVCRVPJ-UHFFFAOYSA-N	249.442	4.812	0	10	BJAE	
C[C@@H](Nc1ccccc1C1CC1)[C@@H]1CC12CCC2	2256443420	OFRJMWIOQQIVOM-DOMZBBRYSA-N	241.378	4.555	0	10	BJAE	
C[C@@H](Nc1cccc(C2CC2)c1)[C@H]1CC12CCC2	2256446046	IMMDQYAVWBIZLE-MLGOLLRUSA-N	241.378	4.555	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC=C1CCN[C@@H]1C(C)(C)C	2257242156	SCILCEMPPNBZJN-KBMXLJTQSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)CCCOc1cccc2c1CCCC2	2257468866	YOJYMOJSHUVCFR-UHFFFAOYSA-N	246.394	4.771	0	10	BJAE	
CC[C@H](C)c1ccc(-c2ccc(F)c(N)c2)cc1	2259110445	VEARHJBUVQSUFR-NSHDSACASA-N	243.325	4.588	0	10	BJAE	
CCC[C@H](CC)[C@H](C=Cc1ccccc1)NCC	2259436486	GWMUTQMICPRUTD-IRXDYDNUSA-N	245.410	4.504	0	10	BJAE	
Cc1cccc(NC[C@@]23CCCC[C@H]2CC3)c1F	2260580846	CGNNNVMYQNGYSG-BBRMVZONSA-N	247.357	4.516	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@@]12CCC[C@H]1CC2	2260596068	MYVGVBKTQWKYGJ-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H](C)CC1CCC1)CC(C)(C)C	2298858600	PTCLBSDIXKJURU-UMVBOHGHSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H]2CCC[C@@H](CC)N2)C1	2300186059	XDDIUHKVBZFNJN-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CCC(CC)CC)[C@H]1C[C@@H]1CC	2300672882	BDSHDAUHLOMQTI-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(CC)CC)[C@H]1CC[C@@H](C)C1	2300682332	XWKBBLNHFGWYOJ-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC/C=C/CNc1cc(F)ccc1C(F)F	2300824189	LCBOEGMILGWIGD-SNAWJCMRSA-N	243.272	4.532	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CC1CCCCC1	2300868855	CLGTWWUHCYMUKU-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CCN(C)C1CCC(C)(CC)CC1	2300885610	JYCVUODJNWPAQD-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CC=CC[C@H](NCCC)[C@@H](CC(C)C)C(C)C	2300906530	JBYMYXKSAMGFBT-HOTGVXAUSA-N	239.447	4.639	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Oc1cccc2sccc12	2301838971	GIAIUAFJIXXERM-NWDGAFQWSA-N	248.391	4.961	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)C1CC(C(C)(C)C)C1	2301965838	XKVKJMNGXFFFDS-KBHBFKLGSA-N	238.415	4.556	0	10	BJAE	
CC(C)[C@H](C)[C@@](C)(O)CCCC1=CCCCC1	2302362308	XSARTRPOXDJVHH-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1CC[C@H]1C(C)(C)C	2303402555	GPXIDIVUEAIMAV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC)CCC[C@H]1CCC(C)=C(C)C1	2303576016	RGDXAQAYDWOBQJ-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](C)C[C@H](N)c1cccc(C(C)C)c1	2303660595	GRIIGDKIBWVDJV-CJNGLKHVSA-N	233.399	4.636	0	10	BJAE	
CCCCC[C@@](O)(CC)[C@H](CC1CC1)C1CC1	2303838668	HQXHVHSXBXDJBI-CVEARBPZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CC[C@H]1CCC(C)(C)C1	2304417484	DDMJBBMFGIONIS-MJBXVCDLSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)c1nc([C@@]23CCC[C@@H]2C3)cs1	2307702595	XDSDPWGBWKLROO-IAQYHMDHSA-N	249.423	4.662	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H]1CC12CCCCC2	2307908293	PASQYBGODXNRCV-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)C[C@H]1CC[C@@H]2C[C@@H]2C1	2309165532	KKYUHPQOSBOYDJ-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)CC[C@@]12CCC[C@@H]1C2	2310385268	DKGLPFPJWWWLOM-ABFRBSLYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)C[C@@H]3CC[C@H]2C3)CC1	2311023069	UFIWPBGUAUKBCI-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@@]12CCC[C@@H]1CC2	2313290781	JNMMVBVMDMSBHW-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CCCC12CC2	2315890085	YLFYCCOJCQHSLU-MRXNPFEDSA-N	243.394	4.863	0	10	BJAE	
CC=CC[C@H](NCC)[C@@H]1C[C@H]2CCCCCC[C@H]21	2316509086	GDHWMKOZKPKWHQ-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC(=CC=C1CCC[C@]1(C)CN)CCCC(C)C	2316562774	KTZRXTBAWWNTLZ-QGZVFWFLSA-N	249.442	4.834	0	10	BJAE	
C[C@H]1CCC[C@@H](NCCCC2=CCCCC2)CC1	2318530983	GTZJROJQSIIWAX-DOTOQJQBSA-N	249.442	4.825	0	10	BJAE	
CC1(C)CC[C@](C)(NCCCC2=CCCCC2)C1	2318580660	NKVHFEXNQSEOQA-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H](c1ccco1)N(C)CCCC1=CCCCC1	2318583199	MMBCNXIPFVDSIO-AWEZNQCLSA-N	247.382	4.553	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CC[C@H]2CCC[C@H]21	2318588826	KHRAVQHIQLKHQH-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H]1CCC[C@H]1CCCC1=CCCCC1	2318589684	SZQKRZUMXPKOCM-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H](N)CCCC1=CCCCC1	2318942799	AGOICDBCVAQZNZ-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCCC[C@@H]3C[C@H]32)CC1	2319254010	ZLONIJUQALQUTK-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1CC[C@H]1C1CC1	2319543311	YEGIJWYDXMWYOQ-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(C(=O)C[C@H]2CC[C@H]2C2CC2)CC1	2319553321	LPZLEBWUFGTXNC-GDVJOBBMSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C=C(C)C)c1cccc(C(C)C)c1	2320524124	VFBXJWMMGIWRFS-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CC(C)c1cccc(CCC[C@@H](N)C(C)(C)C)c1	2320632674	LNJAWIRCVSORLX-MRXNPFEDSA-N	247.426	4.506	0	10	BJAE	
CC1(C)CC[C@H](CCC2(CN)CCC=CCC2)C1	2321619165	JNXVERPOKBZXQK-OAHLLOKOSA-N	249.442	4.668	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@@H]2CC[C@H](C)C2)c1	2327674229	YYARLIVZUXCLGR-DXCKQFNASA-N	246.394	4.588	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)[C@@H]2CCC[C@@H]2C)c1	2327674811	DLLXOAZFSZXHJN-YSVLISHTSA-N	246.394	4.588	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)c1cc(C)cc(C)c1	2328272463	LLSDBGKXNVXBJX-NVXWUHKLSA-N	247.426	4.780	0	10	BJAE	
CC(C)(C)Sc1ccc(C(C)(C)C)cc1	3033238	WABNBSJOZHACFG-UHFFFAOYSA-N	222.397	4.875	0	10	BJAE	
CCCC1CCC(Nc2cc(C)ccc2F)CC1	20471559	KZRCQHLIRDJDAK-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
Clc1ccc(-c2cccs2)c(Cl)c1	32255451	QURPTMRXOYHYSZ-UHFFFAOYSA-N	229.131	4.722	0	10	BJAE	
C1CCC(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	34994773	GZBYAYYNVYJPTD-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](c1c(C)cc(C)cc1C)[C@H](C)CC	35582118	WGAMCQMQQFABKO-DYVFJYSZSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(C)oc1C	37032492	CEGKUAGQNWHGPC-JGGQBBKZSA-N	249.398	4.516	0	10	BJAE	
CCCC[C@@H](CC)[C@H](NC)c1sccc1C	42729284	QDNLMFNWKNLDGR-OLZOCXBDSA-N	239.428	4.533	0	10	BJAE	
CCCC(CCC)N[C@@H](C)c1ccc(C)s1	49158663	TYOOJMZNHDUURR-LBPRGKRZSA-N	239.428	4.676	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(C)c(F)c2)CC1	86893958	XVBYCVLOHXRDHE-UONOGXRCSA-N	249.373	4.905	0	10	BJAE	
CCC[C@H]1CCC[C@@](N)(C(CC)CC)CC1	87169134	BDNZQMVNYASPKJ-ZFWWWQNUSA-N	225.420	4.501	0	10	BJAE	
CCCN[C@H](CC(C)C)C1CCC(C)(C)CC1	87943664	QJENOPHSWHFFGI-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(NCC2CCC(C)CC2)c1	89575540	JPAVHGAXWPZBKP-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CSc1cccc(NC[C@@H]2CCC[C@H](C)C2)c1	89586157	SEJIVXSMEHQYHB-QWHCGFSZSA-N	249.423	4.647	0	10	BJAE	
CC[C@@H](NC)C1CCCCCCCCCCC1	92595517	KBSMVIHLBWMXMD-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CC[C@H](C[C@H]1O[C@H]1C)c1c(C)c(C)cc(C)c1C	107658081	CNKFCFFYLXCXPL-ARFHVFGLSA-N	246.394	4.591	0	10	BJAE	
Cc1cc(NC2CCCCCCC2)ccc1F	109957450	JWZNNOLYTFFNOK-UHFFFAOYSA-N	235.346	4.659	0	10	BJAE	
CCCN[C@H]1CCCc2ccc([C@H](C)CC)cc21	110269447	ARUJMWRSOWRROZ-DYVFJYSZSA-N	245.410	4.577	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(Cl)c(C)c1	124809520	JWVSRWORXCLAOG-CQSZACIVSA-N	239.790	4.619	0	10	BJAE	
CCSc1ccccc1N[C@@H]1CCC(C)(C)C1	129476180	AGJSJYXIZYZUBA-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CC[C@H](C)c1csc(-c2cccc(C)c2)n1	132220390	DYQLMHVQEUXBEY-NSHDSACASA-N	231.364	4.632	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@@H]2CCCC2(C)C)c1	132657199	ZFGYIEAZNCSVSG-GOEBONIOSA-N	245.410	4.533	0	10	BJAE	
O=C1CCCC[C@H](c2ccc(C3CCC3)cc2)C1	133474881	MTAYXDKLRFIFAF-INIZCTEOSA-N	242.362	4.571	0	10	BJAE	
CCCCCC[C@@H](NC)c1ccc(Cl)s1	133706108	WSOFMFOCAUFSLY-SNVBAGLBSA-N	245.819	4.632	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H](C)C2CCC2)CC1	137727751	UORFTWCFUYTUQI-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)cc(-c2ccnc3ccccc23)c1	137770926	LCKLXAQEELIGDX-UHFFFAOYSA-N	233.314	4.519	0	10	BJAE	
CCCc1cccc(-c2ccc(Cl)c(O)c2)c1	166350199	CUQDMTUJDHTDMH-UHFFFAOYSA-N	246.737	4.665	0	10	BJAE	
CC[C@@H](C)C[C@@H](NC)c1ccc(CC(C)C)cc1	167231438	DXODDAGRYAFEMQ-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CCN[C@H](C)CCC[C@H](C)CCCC(C)C	196384084	YEGSINHJUAZIEC-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1C[C@@H](C)CC[C@@H]1C	221668937	PURZUDZREBYWEM-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@@H]1CCC[C@@H](CC)C1	229472561	SFCVLGZPMIKLEO-QXSJWSMHSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)c1ccc2oc([C@H](N)C(C)C)cc2c1	232359505	URONRAAHTVPIKE-MEDUHNTESA-N	245.366	4.602	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C2(C)CCCCC2)cc1	232779601	OAKLRVZPKMMYJK-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)C[C@H]1CC(CC)CC	250825627	PJWFSJLGOCZALA-CWRNSKLLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H](CC)C(C)C)CC1	251282282	FFZMKNLTUPURAZ-BZUAXINKSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CCC[C@](N)([C@H]2CCC[C@@H](CC)C2)C1	251717581	JUNWXNJOSJIBMT-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@@H](C)C(C)(C)C)C[C@H]1C	253192891	NUZUSIVUHQSETI-SYQHCUMBSA-N	238.415	4.700	0	10	BJAE	
c1cc(C2CCCCC2)cc([C@@H]2CCCCN2)c1	258404146	YITMEVKCNPOMKC-KRWDZBQOSA-N	243.394	4.549	0	10	BJAE	
CC(C)(C)CCCC(=O)c1ccc2c(c1)CCC2	302300734	MTQRFYWRDIBCCH-UHFFFAOYSA-N	244.378	4.574	0	10	BJAE	
CC(C)(C)CCC[C@H](O)CCCc1ccccc1	305921447	MFLFHDOJVYTLIR-MRXNPFEDSA-N	248.410	4.587	0	10	BJAE	
CCN[C@H]1CCCC[C@H](CCC2CCCC2)C1	306016536	XQSFLXFLYRBCSA-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc(C)c1NCCC1CCCCC1	310064226	XZMHDOOUJBWEOX-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)CCC1CCCCC1	310555169	HWOGELYLZVIKTI-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@@H](n2ccc3c(F)cccc32)C1	310560012	JBRSAFQDTHGNGF-CHWSQXEVSA-N	245.341	4.922	0	10	BJAE	
CCc1ccc(NC[C@H](C)C2CCCCC2)cc1	311226768	RGHSJLYEMXGTKJ-AWEZNQCLSA-N	245.410	4.877	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1ccsc1Cl	312538413	PXWHDMDBGBKSEU-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
CC[C@](C)(CCC1=CCCCC1)CNC(C)C	319111103	GSMLFLRZAIHMMK-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](Nc1ccccc1C(C)(C)C)C1CCC1	322454345	JAVFFKXLZNZAAQ-OAHLLOKOSA-N	245.410	4.975	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC1(C)CCCC1	380759815	VYAVHQPDTGOVCV-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CCc1ccccc1[C@H](N)CC1CCCCCC1	381335288	JCEWILSHYHGNRX-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)c2ccc(C)c(C)c2)CC1	385607007	MUTJWLXISCIJDT-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
CCC[C@@](O)(CC1(C)CCCC1)c1ccccc1	386327867	JOYOIGMLHUXVQE-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@@H]1C[C@@H]1CC(C)C	387963982	DSGCTGKNZMGGRI-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NC1CCC2(CCCC2)CC1	388621111	FMOLEXHDYHCAQL-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@H](C)C1CC1	395055907	DQGUMVMASJHPDD-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCc1cc(CC)c2ccsc2c1C(F)F	396167353	JMHNPOQYMKLDLR-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CCOc1cc2sccc2c(C)c1C(F)F	396243675	NTQNCISWWMDIND-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1sc2cc(S)ccc2c1C(F)F	396244686	OFPVJKMDTXYPPX-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
C[C@H](Cn1ccc2ccc(Cl)cc21)C1CCC1	398629985	OLJNIGUBOODQDH-LLVKDONJSA-N	247.769	4.731	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CCC1CCC1)CNC1CC1	398679925	XGYFLEWNSKTTPS-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1CCC1)C[C@H](C)C(C)(C)C	398904871	JFTUSRISCCBCDU-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCCC1=CCCC1)C(C)(C)C	400386439	KHFLZJYFOFVRDD-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)CCC2CC2)cc1	401039260	YMLXZBBFEKTMDU-GFCCVEGCSA-N	230.351	4.573	0	10	BJAE	
C[C@H](CC(=O)CCC1CCCCC1)CC(F)F	688893421	YJTPUKRYCYBBKO-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
C/C(=C\CCNC(C)C)c1cccc(C(C)C)c1	688967009	JPUHJVNCLFEARW-OVCLIPMQSA-N	245.410	4.601	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(O)C1CCCCC1	691127784	MSZIDUNOEKFQKC-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@]1(O)CCCCC[C@H]1C(C)C	691136129	QETUMSPYCUADEN-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)C(=O)CCC(C)(C)CC	696647596	UPAYIQVFRFOVCB-LBPRGKRZSA-N	212.377	4.598	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1c(C)c(C)cc(C)c1C	697293138	WTMUJEXWPAHRJW-HNNXBMFYSA-N	248.410	4.780	0	10	BJAE	
CCCCCCC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	699079518	CAEOZUSPBCHXNQ-CJNGLKHVSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC(C[C@H]2CCCC[C@]2(C)O)CC1	699659289	APMMWYBLZCFEKD-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(C[C@]2(N)CCCC[C@H]2C2CC2)CC1	704476072	XYDSXQMDQMYUDM-YQEWQEHLSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(O[C@@H]2CCCC[C@H]2C)cc1	704921326	BHDLOYQSRPERKD-CZUORRHYSA-N	232.367	4.768	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1CCCC12CC2	706546512	RWPMMWAPWVZINB-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@@H](C)CC(C)C	709271431	IOFUWORZMABGRC-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)C(C)(C)C)C(C)(C)C	710709057	VLVLZUCKZXYUSJ-DOMZBBRYSA-N	228.420	4.636	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](C[C@@H](C)C(C)(C)C)C1	710773036	MQHQFFHXBPUGMV-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C[C@H](N)CCC1CCCC1)C(C)(C)C	711111147	IWNHCRUKUWOQCN-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(O)CCCC(C)(C)CC1	713146607	TYBINOAIEFWTMX-MRXNPFEDSA-N	240.431	4.780	0	10	BJAE	
C=C/C=C/CC[C@@H](NCC)c1csc(C)c1C	713702701	PBVMJNJGSLPWKS-MVGZEHJDSA-N	249.423	4.538	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NC2CCC=CCC2)CC1	718052660	LGVBDYPZBGXOBG-NVXWUHKLSA-N	249.442	4.824	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)CCC(C)=C(C)C)CC1	718602373	TWKZKMKSIGPKTA-JYJNAYRXSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@](O)(CCCC(C)(F)F)CC1	718643126	GOJXTMOMJRLYBX-OCCSQVGLSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C(C)(CC)CC	721690996	IACZZGVKOMPAQA-OLZOCXBDSA-N	224.388	4.598	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCCC3(CC3)C2)cc1	723569208	PHMOVYWQGBHPKH-INIZCTEOSA-N	243.394	4.945	0	10	BJAE	
Cc1cccc(SCc2ccccc2C)c1	1165592537	AREAIPNAOMBFMD-UHFFFAOYSA-N	228.360	4.596	0	10	BJAE	
C1=C[C@@H](SC2CCCCC2)CCCCC1	1188310227	WSEORLGVKSEZQY-CYBMUJFWSA-N	224.413	4.941	0	10	BJAE	
C[C@H](S[C@@H]1CC[C@@H](C)C1)c1ccc(F)cc1	1458932697	APLKDMJAAVACOG-UHIISALHSA-N	238.371	4.809	0	10	BJAE	
Cc1cc(Cl)cc(O[C@@H](C)CC2CCC2)c1	1899419516	QGRVRRPEXYLRCT-NSHDSACASA-N	238.758	4.606	0	10	BJAE	
CCC(C)=CC[C@@H]1CCC(C)(C)CCC1=O	1900866364	JHKBULCAQXMEFB-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
CC(C)CCCc1cc2cccc(F)c2o1	1901884608	KMWRCYZHSMROIK-UHFFFAOYSA-N	220.287	4.551	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1[C@H]1C[C@H]2CC[C@H]1C2	1913385517	AZIQLNUHQDPNCJ-JONQDZQNSA-N	248.410	4.742	0	10	BJAE	
CCC(CC)C[C@@H]1CCCCCCCC[C@@H]1N	1913405803	VIFAYFPNJOFBJG-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CCCC=CCNc1cc(Cl)cc(Cl)c1	1914665283	BTROXGWJLNMDNX-UHFFFAOYSA-N	244.165	4.762	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CN[C@@H]1CCC2(CCCCC2)C1	1915864326	CLZBJECYOBIRBN-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@](C)(O)c1ccc(C(C)C)cc1	1920024309	DCFGGOBSGMAXGZ-ZQIUZPCESA-N	248.410	4.700	0	10	BJAE	
CCCC[C@](N)(CC)c1ccc2sccc2c1	1920144967	HNLFKAYUVRAXNJ-OAHLLOKOSA-N	247.407	4.656	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)[C@@H]1CC[C@H](C)[C@H](C)C1	1920197879	PQMLNZRCKSFZGG-AALSBFMBSA-N	239.447	4.602	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)C[C@H](C)C(C)(C)C	1924102732	BTEFTWLJORUQQO-YDHLFZDLSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](C(CC)CC)[C@@H](C)C1CCCCC1	1924112259	XGNNLFCIFCXSDE-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCC[C@@H](C)C1)C1CCCC1	1924139636	RLXVIQLMHIRGMX-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)[C@H](C[C@@H]1C=CCCCC1)NCC	1925905092	ZMPFCXNXPOSIAB-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](N)CCC=Cc1ccccc1	1926376543	QNLJESAOFOYMAS-QGZVFWFLSA-N	245.410	4.634	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cc(Cl)sc1C	1933560488	NKDNVHNEMCGILU-KCJUWKMLSA-N	246.803	4.570	0	10	BJAE	
CC(C)(C)CCCC(=O)CC[C@H]1CC1(C)C	1935910071	DOKCTIOQTABZHA-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1ccc(C)cc1Cl	1939408735	XETMRZPYLBUIPZ-LBPRGKRZSA-N	237.774	4.639	0	10	BJAE	
CC(C)C(C(C)C)[C@H](C)N[C@H](C)CC(C)(C)C	1940252162	IBOAPGYOLSKBFB-KGLIPLIRSA-N	241.463	4.717	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@H]([C@@H](C)CCC(C)C)C1	1942657478	FTAQRDMGDMGIKL-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@H](O)CC1C[C@H](C)C[C@@H](C)C1	1944202000	GSKKHQUKSZRONF-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@]1(CNC(C)(C)C)CCCC1(C)C	1944475705	OJBWJHWHAYVAPE-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@H]1CC(=O)C1CCCCCCC1	1944796995	KJAPXINHINFQNM-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H](O)CC1CCCCCC1	1944868319	LPWXTUKNCLIOFS-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC[C@@](N)(c1csc2ccccc12)C(C)(C)C	1945616546	NILZZWXROOEOGN-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc(F)cc1C	1947455866	CUTJDPWDXXEIJO-IUODEOHRSA-N	235.346	4.515	0	10	BJAE	
CCC(CC)CNC1CCCCCCCCC1	1947881206	LUDCETHKONQGAA-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CC1(C)CC(CC(=O)CCCCCC2CC2)C1	1949738349	PRLDHXNVSZBNHV-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)CC1CC2(CCC2)C1	1949840034	LRSSORGRLXHWAZ-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)C1(CC)CCC1	1951235844	ZVDAYELZNOPRCM-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](NC1CCC(C)(CC)CC1)C1CCC1	1964607701	WYVLMEQKKNJTPQ-PCKAHOCUSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCC[C@H](C)C2)cc1C	1968254263	DMTUJOCCEIKKBS-BBRMVZONSA-N	245.410	4.932	0	10	BJAE	
Clc1ccc(NCC2CCC3(CC2)CC3)cc1	1968266330	YCJWHBCJASWJRD-UHFFFAOYSA-N	249.785	4.722	0	10	BJAE	
CSc1ccccc1NC[C@H]1CCC(C)(C)C1	1968327562	ALPWRXMOBMPMOF-LBPRGKRZSA-N	249.423	4.647	0	10	BJAE	
C[C@@H]1CCc2ccccc2N1C[C@H](C)C(C)(C)C	1968431269	YJKRPFHWIWIHNQ-UONOGXRCSA-N	245.410	4.510	0	10	BJAE	
CCCC1CCC(CN(C)[C@H](C)C(C)C)CC1	1968687465	FKIBAKQIKQVBJQ-QQFBHYJXSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1Nc1ccc(F)c(CC)c1	1971991121	LNTCPEMIDVFOBT-CZUORRHYSA-N	249.373	4.769	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC1(C)CCCCC1	1976003303	KYOHNPMPWUGLJG-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCN[C@H](CCCCC(C)C)c1cccs1	1980691443	CIFZAAGCVWJAHU-CYBMUJFWSA-N	239.428	4.615	0	10	BJAE	
CCCCC[C@H](N)C1(C)CCCCCCC1	1981416953	VLVSDXPMAOEUQZ-AWEZNQCLSA-N	225.420	4.645	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CC1(CC)CCC1	1988433594	URAXCPFRHOSHMZ-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)=CCC[C@](C)(N)[C@@H](C)CCC(C)C	1988783689	VAYDULYHMJBDQA-GJZGRUSLSA-N	225.420	4.523	0	10	BJAE	
CC1(c2csc(C3CCCCCC3)n2)CC1	1990196011	JSHICFZSJATWST-UHFFFAOYSA-N	235.396	4.632	0	10	BJAE	
C[C@H](Nc1ccccc1F)C1(C)CCCCC1	1995988807	QJVFNDQYTKBIBD-LBPRGKRZSA-N	235.346	4.597	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(O)C1CCC(C)(C)CC1	1996561595	NVASNVBKDNQHIC-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCCC(C)(C)CNCC(C)(C)C1CCCC1	1996617599	TYPUULPHIKITKP-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](CC)[C@H]1CCCC2(CCCCC2)C1	1996647917	SYCCRFUKPATRQL-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@@H]1C=CCCC1	1998384646	JJSFOTYYZUMMMS-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCN(C[C@@H]1CCC=CCCC1)C(C)(C)C	1999984939	DMQYTIVTYWWOIC-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CCCc1nc2c(s1)CC1(CCCCC1)CC2	2000272583	FVDDRLNSOFKGEG-UHFFFAOYSA-N	249.423	4.535	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@H]1C=CCCC1	2000312063	GHNOMUUOPBPPGT-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](CC)(CNCCC)C[C@H]1C[C@H]1C	2000499299	ITMWVRIKAZUTDC-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@](CC)(CNCC)CC1CC(C)C1	2000505692	TXJKQMBQCFXPIC-UYSNPLJNSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC[C@@H](N)C[C@@H]1CCC12CCC2	2001844210	LOEBIORKSRLIOB-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@H]1CCC12CCC2	2001859929	OBSVHDYFQSTMEU-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H]1[C@H]2CCCCC[C@H]21	2002213061	XDWTVDPXEBUPDZ-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CC[C@@H](O)C1CCC(C(C)(C)C)CC1	2004229421	SFZYVVMGZZCFBG-YMAMQOFZSA-N	238.415	4.556	0	10	BJAE	
CC1=C[C@@H](N[C@@H](C)c2cc(C)sc2C)CCC1	2006903542	AIJVSSARKZNTPH-JSGCOSHPSA-N	249.423	4.514	0	10	BJAE	
CCC1CC(CC(=O)C2(C)CCCCCC2)C1	2007766640	ZEQRZFVUPZAUQK-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC=CCCC[C@H](O)[C@@H]1CCCC(C)(C)CC1	2009590925	QXGNQTPNLNIRET-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@H](O)[C@@H]1CCCC(C)(C)CC1	2009594252	QXGNQTPNLNIRET-YJQVQVLHSA-N	238.415	4.700	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCC)CC[C@H](CC)C1	2009626384	FAZKOBFPUGIOND-YOSLTCIPSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@]1(CC2(C)CC(C)(C)C2)CCCN1	2009768794	KCLKQLAPEJXGDM-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@H](N)C1=CCC(C)(C)CC1)C(C)(C)C	2010761027	FBCGQYRIEVPQOQ-OCCSQVGLSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(C)CCC(=O)C(F)(F)C1CCCC1	2012956564	GBKHTONAHCVEIL-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cccc(C)c1F	2013262907	DSVMCRMUFYMBQR-CYBMUJFWSA-N	237.362	4.761	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1ccc(C)cc1C	2013264433	MYYVXQUVNKUPBX-OAHLLOKOSA-N	233.399	4.930	0	10	BJAE	
CCNC[C@@]1(CCC(C)(C)CC)CCC1(C)C	2014849264	LVIQGZKVHUDRLT-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CC[C@@H]1c1nc(-c2ccccc2)cs1	2014854047	NMLUTXZYRRGSAX-GFCCVEGCSA-N	243.375	4.714	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)CC(C(C)C)C(C)C	2015273005	DZIIBKMACQCMGL-HOCLYGCPSA-N	241.463	4.704	0	10	BJAE	
CCN[C@H](CCC(C(C)C)C(C)C)[C@@H](C)CC	2015359171	VQBWKDGXKYEVQG-GOEBONIOSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@H](CCCC2CC2)NC)CCC1	2015640718	VOAMAOQOJJUEEA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C1=CCCCCCC1	2016138123	ULWVXGBUVKEOAD-INIZCTEOSA-N	236.399	4.764	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H]1[C@H](C)CCN[C@@H]1C	2017859195	MVZDDQNREWVUHZ-LVQVYYBASA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@]1(C)C=CCCC1	2018130300	NULZEVPWHYGLAS-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)C(C)(C)C(F)F	2018132586	ZSOJDWBHTQCDPR-VXGBXAGGSA-N	249.389	4.615	0	10	BJAE	
CCC1(CC)CCC(O)(CC2(CC)CC2)CC1	2018972275	FWLNAGCVTQVEOR-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@]2(C(C)C)CCCCCN2)CC1	2018989866	CERQKGQWTNJPHL-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCC1(C[C@@H](NC)[C@H](C)CC(C)(C)C)CC1	2019005508	GDPGBNYJPKKOHS-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CN(CC)[C@H]1CCC[C@H](CC)C1	2019204094	UCBLNRAXUYTRGA-HOTGVXAUSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCN(C)[C@@H]1C[C@H](C)CC(C)(C)C1	2019301190	ANQNHZYXQXQYJY-LSDHHAIUSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)CCC(C)(C)CC	2019382674	RSQDMVBWHIBCJN-HNNXBMFYSA-N	241.463	4.959	0	10	BJAE	
CCN(C1CCC(C(C)(C)C)CC1)C(C)(C)C	2019404203	HJTRHYSSSUTZIU-UHFFFAOYSA-N	239.447	4.712	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H]([C@@H]2C=CCCCC2)C1	2019535667	HZUYAEOHJMMTSL-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1C[C@H]1C1CCCC1	2022410795	BXENJBMRQBYRJX-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC(=O)[C@H]1C[C@H]1C1CCCCCC1	2022417278	KZKHTVRCZQWCLG-GJZGRUSLSA-N	234.383	4.518	0	10	BJAE	
CCC[C@](C)(O)C[C@H]1C[C@H]1C1CCCCCC1	2022455358	VRJXSFNFZRJZKF-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1CC(=O)C1(C)CCCCCC1	2022554395	NYOZHYRVAVXIPR-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CNC)CC(F)=C1CCC1	2023194236	CWNGEQLETRYHIB-HNNXBMFYSA-N	241.394	4.590	0	10	BJAE	
CCCCc1ccc(N[C@@H]2C[C@H]3CCC[C@H]32)cc1	2027319262	KVFJCLCKAOVEIC-DJIMGWMZSA-N	243.394	4.630	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](N)c1ccccc1C(C)C	2027517140	DDGNTUGENCTHJU-YOEHRIQHSA-N	247.426	4.882	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@H](N)C12CCC(CC1)CC2	2027823722	XLEKUEAMTUZGKI-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1cccc(C2CC2)c1	2028551677	IQCKKMIBDPNVMB-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
O=C(CCC1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]21	2028785038	ADLVANCKKJFZOA-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CC1(C[C@H](N)C2CC[C@@H]3C[C@H]3CC2)CCCCC1	2028964571	LKDCWNANMNTIRR-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CC(C)C[C@@H]1CNCCC1=CCCCCC1CC1	2032490571	MUKJGTFHZOUFMA-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](N[C@H]1CCCC2(CCCC2)C1)C1CCC1	2034365087	UFGIDAAVZKDBIM-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H]1CC[C@H](NC)[C@@H](C[C@@H]2C=CCCC2)C1	2035593965	UKUOVMHFWKECCC-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC1CCC([C@@]2(N)C[C@@H]3CCCCC[C@@H]3C2)CC1	2035861271	OIOWRPJUJCHXTG-IKIPUTRUSA-N	249.442	4.501	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@](O)(C1=CCCCCC1)C2	2036664009	HNSLZCQHXWVRHL-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@@H](NCC1CCCCC1)C2	2036666733	QZJJPFDGXREFII-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](N)C[C@H](C)c1ccccc1	2037126757	JHNUOLLNJACZEB-HOCLYGCPSA-N	247.426	4.580	0	10	BJAE	
CC1(C)CCC[C@](N)(CC[C@H]2C[C@@H]2C2CC2)CC1	2037128959	ZBVAVOPQWQVPOR-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1c2ccccc2NC[C@@H]1C	2037227167	ULGXSPNGFCOESC-DZGCQCFKSA-N	245.410	4.904	0	10	BJAE	
CCCN[C@H]1CCCC[C@H]1CC1CC2(CCC2)C1	2038085285	JXHJOVQSXQQVIB-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NCC1CCC=CCC1)C1(C)CCCCC1	2039867958	LXAQUCQDBHLKLD-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@@H]1CCCC12CC2)C1CCC(C)(C)CC1	2040639855	YMCZSFUFZYTNKZ-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](N)c1cccc(C2CCC2)c1	2040724555	WQBFNZQRDJLBSJ-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCCN[C@@H]([C@H]1CCC(C)(C)C1)[C@H]1CC=CCC1	2042025579	WKBBTHXYYJDNOY-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCCCN1C[C@H]1CCC=CCCC1	2045315306	SHXKYBBWTBNLRX-DLBZAZTESA-N	249.442	4.778	0	10	BJAE	
C[C@]1([C@@H](O)C[C@H]2CCC=CCCC2)CC=CCC1	2045335789	WDIILOYFRSEKTF-ULQDDVLXSA-N	248.410	4.620	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(CN)CCCC23CCC3)C1	2045518161	ZEDRBGZFCQEQFL-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CCCC1([C@@H](C[C@H]2CC=CCC2)NCC)CCC1	2045800244	TWUBOHWWCKSGGD-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)[C@@H]1C=CCCCCC1	2045993243	PBPFMIQYHPYNQB-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
c1cc(C2CC2)ccc1N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2046486754	TWRYSMRXLKHTGS-QLPKVWCKSA-N	241.378	4.555	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@H]1[C@H]2CCCCC[C@H]21	2048368548	AMFMBVDHSLZSAP-QLPKVWCKSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc2nc([C@@H]3CCCC(C)(C)C3)[nH]c2c1	2049574834	SZVAXKJAIZVLSG-GFCCVEGCSA-N	242.366	4.555	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)C[C@H]2CCCC3(CC3)C2)C1	2049862643	WMEUJVGDDQKEHQ-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@]1(C)C=CCCC1	2049992721	QBCGHDYETIJCTK-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2CC23CCCCC3)C=CCCC1	2050007608	FNIZWJUGSBGCRW-GDBMZVCRSA-N	246.394	4.662	0	10	BJAE	
CCC(C)(C)CCC[C@@H](NC)c1ccc(C)cc1	2050424701	CRAXPZPYDSGCGV-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
Cc1cc(C(F)F)c(C(F)(F)F)cc1Cl	2054883613	DYRRBJFAOPIOLB-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@]12CCCC[C@H]1CCC2	2059254650	AOJRXSZEDNGYSU-KQFSBCPLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C(C)C)CC1)C1(C)CCC1	2061083681	DWSSYVXGFMZWHL-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CC1)C1=CC[C@@H](CC)CC1	2061083855	GCVCFKNFAMUVFC-JJRVBVJISA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)C1CCC(C)CC1	2061088509	NISKASWJKYYAFA-XUJLQICISA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C([C@@](N)(CC)C2CCCCC2)CC1	2061111421	ULRIHJKNDHPYMB-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CCC1(C)CCC(N)(CC[C@]23CCC[C@H]2C3)CC1	2061613492	AIGBSRFDZQXHEC-SOEBMCCKSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(O)CC1CC(=C2CCC2)C1	2061687898	JRRUHWFGSKLYNM-DLBZAZTESA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)CC1CC(=C2CCC2)C1	2061726775	UDKIPXWYSDIJAA-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(N[C@@H]2CCCCCC23CC3)C1	2062024336	UGMCZKZKHIUGAV-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)[C@@]12CCCC[C@@H]1CCC2	2062647369	SPPZXXSUSXGJML-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCC1	2063426712	DEQYMRHGPBRVHU-UGQVUOCMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C[C@@H]1C[C@@H]2CCC[C@@H]2C1)c1ccc(N)cc1	2063488249	AQUYBGNFPGQUAF-UGQVUOCMSA-N	243.394	4.589	0	10	BJAE	
CCC1(CC)CCCN1CC12CCC(CC1)CC2	2065298079	NNTAIJXVQDTAPN-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](C)Nc1cccc(C(C)C)n1	2066345706	ZHEZIZSVXYUKLA-KGLIPLIRSA-N	248.414	4.688	0	10	BJAE	
CC1(C)CC2(CC(CC(=O)[C@@H]3CCC3(C)C)C2)C1	2068235768	HWJWGOOZCWWIIR-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(OC[C@H]2C[C@@H]3CC[C@@H]3C2)cc1	2068702631	ITTIVGWUWCBLOD-MKZZRHPPSA-N	244.378	4.625	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C[C@@H]2CC23CCC3)CC1	2069168766	SOXBQBSZLYGRQX-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC(C)CC1(C(=O)c2ccccc2C2CC2)CC1	2069497707	HRHQUWRFRXAHPF-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1(CC2CCC2)CC1	2069585493	SEDUNSBLBYXVHW-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H]1CC2CCC1CC2	2070308009	JOZPVBAFXQRCRB-GQGLESIBSA-N	249.442	4.667	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C1=CC[C@H](C(C)C)CC1	2070311050	UFLVOVPERHGNPI-RDJZCZTQSA-N	249.442	4.833	0	10	BJAE	
CCCC1CCC([C@H](N)C[C@]23CCC[C@@H]2C3)CC1	2070963634	QJDVKNRRHBBIND-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1(C[C@@H]2CC[C@@H]3CCCC[C@H]3N2)CCC1	2071949866	LTRBGYPTTMNCFP-HRCADAONSA-N	249.442	4.514	0	10	BJAE	
C[C@H](C[C@H]1CC[C@H](C)CC1)[C@@H](O)c1ccccc1	2072791686	SNSLSSJFNSPHPZ-KCYZZUKISA-N	246.394	4.573	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@]2(CN)CCC=CCCC2)CC1	2072796427	OLHPMTVKOSPEJS-BRWVUGGUSA-N	249.442	4.668	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(OC(C)C)cc1	2072833616	UGHVLWZMBKDQHI-CYBMUJFWSA-N	249.398	4.710	0	10	BJAE	
C[C@@H](C[C@H]1CC[C@H](C)CC1)C(=O)c1ccccc1	2072875136	KTXKVXXNXUKRGM-KKUMJFAQSA-N	244.378	4.722	0	10	BJAE	
CCC[C@H]1CCCN([C@@H](C)c2ccccc2)CC1	2074791754	XLGRMKLTLQMYQO-HOTGVXAUSA-N	245.410	4.650	0	10	BJAE	
C1=C[C@@H](Nc2ccccc2C2CC2)CCCCC1	2077262279	QCMCEOMUBWJUSM-OAHLLOKOSA-N	241.378	4.865	0	10	BJAE	
CCCCC1CCC(N)(C[C@H]2C[C@@H]2C2CC2)CC1	2079312711	RHRYBPULAOVPFY-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@H]1C[C@H]1C1CCCC1	2079433748	BQMYOCCODOUNIW-BYFHDABZSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(N)(C[C@@H]2C[C@@H]2C2CCCC2)CC1	2079666770	SPXPILTVEWYACH-CBUUIXETSA-N	249.442	4.501	0	10	BJAE	
CCC1CC(C(=O)C[C@H]2C[C@H]2C2CCCCC2)C1	2079841217	HMTOQORJDYDJFJ-UHDQLFAASA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@H](NC)c1cc(C)cc(C)c1C	2082920550	ZXZSPVYCVPLSCG-PXAZEXFGSA-N	247.426	4.699	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)c1cc(C)cc(C)c1C	2082926475	VHNICVPRZNEOSR-KRWDZBQOSA-N	245.410	4.748	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)[C@H]2CC23CCCC3)C1	2082975516	JMERTAJVGLUDKQ-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)[C@@](C)(N)CC1CC2(C1)CC1(CCC1)C2	2083618414	ZBLOFEUJHMVKMT-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](N[C@H]2CCC3(CCCC3)C2)C1	2085242614	JSXFZYVDKOXFDR-PMPSAXMXSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)[C@H](O)CCCCCCC1CC1	2210526459	FOYHMEIAZGODLY-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](CCCCCCCC1CC1)C[C@@H](C)O	2212446940	VBHUZBAXACHZKY-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@](C)(CCC(C)C)CN[C@@H](C)CC	2212591904	GFBCAHMNFWEVFD-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(N)cc(-c2cc(C)c(Cl)c(C)c2)c1	2212870705	MVDYXSMSPQBNPR-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC[C@@](O)(CC1(C)CC(C)(C)C1)C1CCCC1	2215386403	PJOMLJGQNNVYPK-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CC1(CNc2cccc(Cl)c2)CC2(CCC2)C1	2215392388	DVIGSZZBEJWRRU-UHFFFAOYSA-N	249.785	4.722	0	10	BJAE	
CCC(CC)C[C@@]1(N)CCC[C@@H](C(C)(C)C)C1	2216252483	KJMJHGNJGCVYET-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CN[C@@H](C)CC)C=CCC1	2217153188	KGCNYNAJRIQFRE-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218330406	HZXFOLVAVBOUBW-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CCCCCC[C@](C)(N)CC=Cc1ccccc1	2219082605	OJLFUQDYRFIGOQ-KRWDZBQOSA-N	245.410	4.778	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)C2(CC3CC3)CCC2)C1	2221024640	DDFSJFGETAJEMC-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2C[C@H]3CC[C@@H]3C2)CC1	2221644245	GACDWDMHWDBSMG-INMHGKMJSA-N	246.394	4.518	0	10	BJAE	
CC1=CC[C@](C)(C(=O)c2c(C)cccc2C)CC1	2221925814	VNGNJNXDIAEOOR-KRWDZBQOSA-N	242.362	4.623	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1CCC1(C)C	2243137712	LAGNNXPNWLTEOM-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
Cc1c(F)ccc(CC2=CCCCC2)c1Cl	2243235491	CYEQIGGUUOOWDF-UHFFFAOYSA-N	238.733	4.830	0	10	BJAE	
Cc1cc(CC2=CCCCC2)c(F)cc1Cl	2243249912	QBNKJQGLGJPSNR-UHFFFAOYSA-N	238.733	4.830	0	10	BJAE	
CCC[C@@H](CC)C(=O)CC1(C)CCCCC1	2244774737	IPOUMCBGLURAFT-CYBMUJFWSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cscc1C(F)F	2244802757	QZMCGEAYBKIRTD-LDYMZIIASA-N	247.354	4.512	0	10	BJAE	
CCC(CC)(CC)CNCCCC[C@@H]1C[C@@H]1C	2247092043	MZLJCHHZPVBSKN-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)CC[C@@H]1CC1(C)C	2247162683	HVZMZCLDGLXMPR-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(CNC1CCCCCC1)C(C)C	2248373182	JJUNKNZNLLZXNC-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](N)CCCCC[C@@H]1C[C@@H]1C	2248809368	VBAJMSFTFDHMCC-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)[C@H]1CC[C@@H](C)C1	2248819420	JZVWXGJDTUBUJA-QPSCCSFWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cccc2ccsc12	2250362276	TYQVZFUDISTSTO-SMDDNHRTSA-N	247.407	4.727	0	10	BJAE	
CCCCCC[C@H](O)C1CC(CC(C)(C)C)C1	2251531452	LNTZVQDCIBHJBL-NRXISQOPSA-N	240.431	4.780	0	10	BJAE	
O=C(CC[C@H]1CCCCC12CC2)c1ccccc1	2253798908	YITHJGGJUSXZKB-OAHLLOKOSA-N	242.362	4.620	0	10	BJAE	
CCc1ccccc1OCC1CC2(CCCC2)C1	2254082236	MBXRBUWQVVJHNI-UHFFFAOYSA-N	244.378	4.598	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1CC1CC2(CCCC2)C1	2254112262	JDCKQZPCJNJDAS-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1(N)C2CCCC1CCC2	2254575059	CUQXTRQSSFREAY-KPLZDEIPSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC1(N)C[C@H]2CCCC[C@@H]2C1	2254605737	NNCUNCBFASRZLQ-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)CC[C@H]1CCCC12CC2	2255254988	ZWNPYSGQHKOVQG-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)C[C@@H]1CCCC12CC2	2255340154	YXEDSJLKJYFTFC-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@H](CNCCCCC[C@@H]2C[C@@H]2C)CC1	2257311207	LHOWLEPZLFPRGQ-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@]1(N)CC2CCC1CC2	2257362784	UUMPXCDUVJTWJX-PRXYFPRHSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@H](C)c2ccccc2)cc(C)c1C	2258240922	VGKWAQADOQMSGK-OAHLLOKOSA-N	239.362	4.785	0	10	BJAE	
CC[C@H](C)c1ccc(NC2CCC(F)CC2)cc1	2259149177	VQJKBCMULYFLAM-YGONEPDPSA-N	249.373	4.893	0	10	BJAE	
CCCCc1ccc([C@H](N)[C@H](CC)CCC)cc1	2259479019	VVGRUGLICQBLOM-NVXWUHKLSA-N	247.426	4.855	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@]12CCCC[C@H]1CC2	2260488362	IIZHWGBWDYRMRO-BBWFWOEESA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1CCCCCC1)[C@]12CCCC[C@H]1CC2	2260491440	WAYWLHHHHGMORQ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
c1ccc2c(c1)ccn2C[C@@]12CCCC[C@@H]1CC2	2260588708	TYLSSHFGSBHASZ-WBVHZDCISA-N	239.362	4.612	0	10	BJAE	
C[C@@H](CC1CC1)[C@@H](N)C1(C)CCCCCCC1	2298943597	VNQQMVGGDOIWEA-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CCC1(CNC(C)C)CCCCC1	2300860056	CDYXXVSANKQFRS-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CCNc1cc(F)ccc1C(F)F	2300865526	ONPHZQJGTLLCQK-UHFFFAOYSA-N	243.272	4.532	0	10	BJAE	
CC(=CCN1CCCCCC1)CCCC(C)C	2300884798	XUTHEJNVADSTCN-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
CCN[C@H]1C[C@H](CC=C(C)CC)CCC1(C)C	2300895862	BSLSRIWXTTTXJC-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](N[C@@H](C)[C@H](C)C(C)C)C1CCCC1	2301715034	SUTRYWXASQNIHZ-YCPHGPKFSA-N	239.447	4.616	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H]1CC(C)(C)[C@@H]1C	2302081462	AXJWWMKCYADAFW-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(-c2ccc3cccc(C)c3n2)cs1	2302249701	OXGVSGRFLMTVCE-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
CCC[C@](O)(CCCC1=CCCCC1)C1CC1	2302325318	GJZALNRWGAJBKN-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)[C@@H]1CC[C@@H]1C(C)(C)C	2303442732	MZONWHUYJJLZOY-MJBXVCDLSA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCCCC(=O)C2)CC1	2303603053	ZGKXFVSRMNEWFW-LSDHHAIUSA-N	234.383	4.662	0	10	BJAE	
CCNCCC=C(C)CC[C@H]1CCC(C)(C)C1	2304411599	MAMVKHHPGPVQLP-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@H]1CCCCC12CC2	2307896557	VPPVLKZJVVBCTD-RRFJBIMHSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@H]1C[C@H](N)CC[C@@H]1CCCCC12CC2	2312667629	NPAAZMUTTFMFBE-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C(CCCN[C@@H]1C[C@H]2CC[C@@H]1C2)CCCC1CC1	2313187303	UIQYHJFEDYRWPN-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C(=O)c1ccc(C)c(CC)c1)C(C)C	2314700858	XTGSWNQIWKBTCT-INIZCTEOSA-N	246.394	4.812	0	10	BJAE	
CCC(CC)CC[C@@]1(CNC2CC2)CC=CCC1	2316272478	DNKOYWGSFHCUAA-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)CC[C@]1(N)C[C@@H](C)c2ccccc21	2316275174	JQZQXFRYALJJQQ-DYVFJYSZSA-N	245.410	4.564	0	10	BJAE	
CC(=CCNC1C[C@H]2CC[C@@H]2C1)CCCC(C)C	2316500251	XVTNDIKDIQCACV-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2316531487	FXFLFPQYNDKBAO-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CCC(N)(C1CCCC1)C1CCCC1	2316562528	JSJMONCXQRJAPE-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@H]1CCC[C@@H]2C[C@@H]21	2316880487	JYUYZXFNPBGECZ-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
c1cc2c(cc1CC1CCCCCC1)NCCC2	2316937817	DDQUJWQIIHNFMI-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Nc1ccc(C2(C)CC2)cc1	2317831922	RBZBWMSGEHIZRM-KGLIPLIRSA-N	245.410	4.831	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H](C)[C@H](C)C(C)C)c(C)c1	2317833979	GXLFAEYRJNZENQ-CABCVRRESA-N	246.394	4.723	0	10	BJAE	
CCCCCCc1cc(CNC)cc(C(C)C)c1	2318374303	KTGDNRNCKMFTGG-UHFFFAOYSA-N	247.426	4.652	0	10	BJAE	
C[C@@H](CC1CCC1)N(C)CCCC1=CCCCC1	2318578356	MLMTUGOIVHTQQQ-HNNXBMFYSA-N	249.442	4.778	0	10	BJAE	
C1CCCC(NCC[C@@H]2CC[C@@H]2C2CC2)CCC1	2319645304	ZJCJFPGWWPXXKB-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
NC1(CC[C@H]2CC[C@@H]2C2CC2)CCCCCCC1	2319742355	WDZIKMSVCLTPGL-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@]2(O)CCC3(CCC3)C2)CC1	2320327672	MONRFZKTYFFDCB-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@]2(N)C=CCC(C)(C)C2)C1	2321610000	BRVXXWFMWRQGEI-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
Cc1cc([C@H](N)CC[C@H]2CCC(C)(C)C2)oc1C	2321646339	WLDPATMOPYLLPO-UONOGXRCSA-N	249.398	4.503	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cc(F)ccc2O)c1	2327680854	MRDINWQCMJSUMO-UHFFFAOYSA-N	244.309	4.630	0	10	BJAE	
CN[C@H](c1cc(C)ccc1C(C)C)[C@H](C)C(C)C	2327786515	KRGQGGCADZAGIF-PBHICJAKSA-N	247.426	4.671	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc([C@@H]2C[C@@H]2C)o1	2328278413	QDUDKSGSKDTVCW-FQUUOJAGSA-N	249.398	4.619	0	10	BJAE	
CCCCC[C@@H](C)Nc1ccc2[nH]ccc2c1	21062815	VXDKCIPNGDMMGK-GFCCVEGCSA-N	230.355	4.549	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCC[C@H](C)C1	21801388	RZMYDRPQLDAOQH-GXFFZTMASA-N	237.774	4.639	0	10	BJAE	
CCCCc1ccc([C@H](N)C2CCCCC2)cc1	21819336	ZKAKTYRLMVJKER-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
Cc1cc([C@@H](C)c2ccccc2)c(C)s1	22002764	HAKWRCGISWNTDX-NSHDSACASA-N	216.349	4.517	0	10	BJAE	
CCC(CC)[C@H](NC)c1ccc(C(C)(C)C)cc1	35493797	UWAIGZMOGUEYTG-INIZCTEOSA-N	247.426	4.681	0	10	BJAE	
CCCN[C@@H](CCC(C)C)c1ccc(CC)cc1	35582593	UZDASWPIYFYSAM-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CCc1cccc2c(Cl)cc(C(C)C)nc12	36912869	YQIJFJYQLWFHGM-UHFFFAOYSA-N	233.742	4.574	0	10	BJAE	
Cc1cc(C(=O)CC2CCCCC2)c(C)s1	36943919	HAZMJPKPAUVWTQ-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCCC[C@@H](C)NC(C)(C)CC(C)(C)C	37100578	NHEJCDOEFMMFDX-CYBMUJFWSA-N	227.436	4.760	0	10	BJAE	
C[C@@H](c1ccccc1)c1ccc2ccccc2c1	59337976	KFUMHWPJAJDTSJ-AWEZNQCLSA-N	232.326	4.992	0	10	BJAE	
CCCN[C@@H](c1ccc(C)c(C)c1)[C@H](C)C(C)C	70123461	NBTPMZPCLVQBNX-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CCc1ccc(OC2CCC(CC)CC2)cc1	85150831	SDOJLZDTPQSSQF-UHFFFAOYSA-N	232.367	4.597	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CCC(C)(C)C)CC1	86939929	PQYMPNGMGVMHFZ-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCCN[C@@H](CC(C)C)c1ccccc1	103982170	QXUFYZZPJNYPRV-KRWDZBQOSA-N	247.426	4.800	0	10	BJAE	
CCC[C@H](N[C@@H](C)C(C)(C)C)c1ccccc1	122597159	LKPICSAHXBZKOH-ZFWWWQNUSA-N	233.399	4.552	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1ccc(C2CCC2)cc1	128765892	RBQSTCFOHGNYHT-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(C)C(=O)c1cccc(C2CCC2)c1	128785669	HQWLGAWFFOVHHX-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CCCCCC[C@H](CC(CC)CC)NCC	133369256	RZDCBNBUCKAPRH-OAHLLOKOSA-N	227.436	4.761	0	10	BJAE	
CCCCCC[C@@H](NC)c1cc(C)sc1C	133705704	UBPHVUIZPBYMOX-CQSZACIVSA-N	239.428	4.596	0	10	BJAE	
CC(C)CCCCN[C@@H]1C[C@H](C)CC(C)(C)C1	134295658	AOFKWCZXOXBZLU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)Nc1c(F)cccc1Cl	135245217	OKVXONMBUQAUNY-JTQLQIEISA-N	243.753	4.716	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCC[C@H]1CC	163858399	JBHOMCLXKYFZEZ-HIFRSBDPSA-N	231.383	4.630	0	10	BJAE	
CCCCC1CCC(C(=O)CCC(C)C)CC1	164732190	FQVOXLXFBNHAEA-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1O	166194317	OIDKWEXSAXOGMN-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CCC)NCc1c(C)cccc1C	226006915	PBINEYVIVSCCLI-MRXNPFEDSA-N	247.426	4.752	0	10	BJAE	
CCN[C@@H](CCCC(C)C)[C@H]1CCCC1(C)C	226879746	FZEKYXPBNCZDON-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](N)c1csc2ccccc12	229171312	VRHGTEHMYZQERO-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CC(C)c1ccc([C@H](N)C2(C)CCCCC2)cc1	232755769	UGTMSSJMQAMKNL-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CCCCCCN[C@H](C)c1csc(Cl)c1	232938400	JVYBTWCZIIZOIS-SNVBAGLBSA-N	245.819	4.632	0	10	BJAE	
CCCCC[C@@H](C)NCC1(C)CCCCC1	232956371	NNYSAESCSBERGA-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@@H](NCC)c1scc(C)c1Cl	232998405	SORPQIZLWHXHBA-SNVBAGLBSA-N	245.819	4.551	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C1(C)CCCCC1	233169735	KTQVMUYAEGGTJG-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@H]1C1CCCCCC1	235718866	JWNQHEZRXVRCEV-SUMWQHHRSA-N	243.394	4.630	0	10	BJAE	
CCCN[C@H](CCC)[C@H](CC)C[C@H](C)CC	251253607	BYLHCSDUNSTNEV-RBSFLKMASA-N	227.436	4.617	0	10	BJAE	
CC[C@@H](N[C@H]1CCC[C@H]1CC)C1CCCCC1	252957202	SGTXFBSPPUYQLM-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@H](CC)c1ccccc1	253041270	LEMARJSEDHANEM-USXIJHARSA-N	247.426	4.595	0	10	BJAE	
CCC[C@H]1CC[C@H](c2ccc(O)c(F)c2)CC1	255004137	PVKOISIMZOLKSR-HAQNSBGRSA-N	236.330	4.605	0	10	BJAE	
CC(C)C(F)(F)c1ccc2ccccc2c1	258986770	KNFQZTVSIPQKDA-UHFFFAOYSA-N	220.262	4.588	0	10	BJAE	
CN[C@@H](CCCCCC(C)(C)C)C(C)(C)C	300801660	DSAODUPBHWHJJG-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)CCC(C)(C)C)cc1	302482461	HSNXZLHPLBBUDE-LSDHHAIUSA-N	247.426	4.860	0	10	BJAE	
C[C@H]([C@@H](O)c1ccccc1C1CCC1)C(C)(C)C	302509465	YPTNNMJXNUOCIN-MLGOLLRUSA-N	246.394	4.670	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1CCC(C)(C)CC1	304156312	FOQQUPDOELWNRJ-ZDUSSCGKSA-N	238.415	4.844	0	10	BJAE	
CSc1cc2c(Cl)csc2cc1Cl	306602799	WMZONEQRARJSKT-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCOc1ccc2sc(Cl)c(Cl)c2c1	306861362	GBVGYUCWMVRTCF-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CC(C)[C@H](N[C@@H]1CCCC12CCCCC2)C1CC1	313011182	QBDWGOVZCXZRCE-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCC(CC)[C@H](CC/C=C/c1ccccc1)NC	324318039	UEFQFZKBGXHTQV-VEMDQMBVSA-N	245.410	4.504	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)c1csc2ccccc12	380029795	GBTOZZNLAGERHF-ABAIWWIYSA-N	247.407	4.583	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1CCC[C@H](C)C1	381412024	TUWGIJBXNRGZMH-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@@H]1CCC[C@@H](C)C1	383557738	RMWTUYSQFVZQBG-OAGGEKHMSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@](C)(O)CCC(C)(C)C)C1	383569310	JTCWASPMTSSKKD-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CC/C=C\c1c(C(C)C)[nH]c2ccccc12	383982677	YHNUISFOJDRVAL-YVMONPNESA-N	213.324	4.715	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)C(C)(C)C	384854158	MJIFWYLURCFSKK-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCC[C@@H](C)C2)ccc1F	385266782	CMSCWUKJELBEIF-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
CC1CCC(C(=O)C[C@H](C)c2ccccc2)CC1	394997236	DTZOULSKQRGLHO-BBBYJDLNSA-N	244.378	4.576	0	10	BJAE	
CC[C@H](N[C@@H](C)CC(C)(C)C)c1ccsc1	395160505	ZSVBTAZLFVZPKY-AAEUAGOBSA-N	239.428	4.614	0	10	BJAE	
CCCN[C@H](CCC1CCC1)CC1CCCC1	398649132	APLZVMMMNSBIMC-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CCC1CCC1)c1ccc(C(C)C)cc1	398668684	RAQLDCYROBXHTI-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@H](C[C@H](C)CCC)[C@@H](C)C(C)(C)C	399336683	XXEVWCXYUUHFRQ-RBSFLKMASA-N	241.463	4.863	0	10	BJAE	
CN[C@H](C[C@H]1CC=CCC1)C1CCC(C)(C)CC1	402176628	WOOLUBPUOMGOBN-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1coc2ccccc12	404708267	YXHFQCJBSPXTBV-LRDDRELGSA-N	246.350	4.539	0	10	BJAE	
FCC[C@@H](Sc1ccccc1)c1ccccc1	606303913	JTSCZZLNDKDONP-OAHLLOKOSA-N	246.350	4.880	0	10	BJAE	
CCC1(CNc2c(Cl)cccc2Cl)CC1	687537362	PELWURSNZHZPMP-UHFFFAOYSA-N	244.165	4.596	0	10	BJAE	
CC(C)[C@@]1(CCCC2CCC2)CCCCCN1	688358315	ZKQBGFAUUAHDIE-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@](O)(c1cccc(C(C)C)c1)C(C)(C)C	688897138	AHKBUAGICCYFNR-KRWDZBQOSA-N	248.410	4.844	0	10	BJAE	
C[C@@H](CC1CCCCC1)NCC1(C2CC2)CCC1	689780683	YEOLKFZRZGHFGY-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CCC1)CC(C)(C)CC	696246557	CBTBIOLTBTUDOO-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)C1(C(=O)C[C@H](C)C2CCCCC2)CC1	697570829	AYXUIDZYJNQMFV-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)[C@@]1(C)CC1(C)C	702213457	GIOSEELPVRRPNL-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](C)[C@@H](C)C1(N)CCC2(CCCC2)CC1	704467316	XFBBEMLSTORZHU-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@]2(N)CCCC[C@@H]2C2CC2)C1	704473225	KNCNYTHSBRJCNQ-YALNPMBYSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](N)(C[C@H](C)c1ccccc1)C(C)(C)C	704927286	IQXLNKITQFYGCC-WMLDXEAASA-N	247.426	4.724	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(N)(C2CCC2)C2CCC2)C1	705333037	DRUCPPHHPSPUPY-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H]1CCCC12CC2	706216605	QEQOTDRVBINHDE-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@H]1CCCC12CC2	706246145	FYCFYDCTVVVTLI-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1CCCCC1)[C@@H]1CCCC12CC2	706310085	JIQUTDPBIWUCRY-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](c1ccccc1C)[C@@H](C)CC(C)(C)C	708254283	JNQNXTMHAQPOGK-HOCLYGCPSA-N	247.426	4.718	0	10	BJAE	
CCCc1ccccc1[C@@H](NC)[C@@H](C)CC(C)C	708300420	CNCQMCIIMVBUMH-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
CCCNC[C@H](C)[C@@H](C)C[C@@H](C)CC(C)(C)C	709085484	XMBXQMSDSGWQNZ-ILXRZTDVSA-N	241.463	4.721	0	10	BJAE	
C[C@H](CC[C@H](N)c1ccccc1)CC(C)(C)C	709100044	DZFKGTRPIISZDX-HIFRSBDPSA-N	233.399	4.539	0	10	BJAE	
CC(C)CCCCCC(=O)[C@]12CCCC[C@H]1C2	710546043	UVDJXUCDHPLORZ-HOCLYGCPSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)C[C@@H](C[C@@H](CC)C(C)(C)C)NC	711098466	VGBOOYSQCKVUHX-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC(C)(C)CC(=O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2	713304431	LMKHYEWBQWXNSL-SCQRFTTHSA-N	248.410	4.598	0	10	BJAE	
C=C/C=C/CCc1ccc2ccccc2c1F	713648094	VTACLSFHXSILJG-ONEGZZNKSA-N	226.294	4.654	0	10	BJAE	
C[C@@H]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1	714411352	MYXIMKWKWPPFCZ-MWLCHTKSSA-N	248.757	4.510	0	10	BJAE	
CC(C)c1ccc(NCC[C@H]2C[C@H]2C2CC2)cc1	714862619	DIACMDSWMSUVQT-RDJZCZTQSA-N	243.394	4.658	0	10	BJAE	
CC(C)=C(C)CCC(=O)CCc1cccc(C)c1	718738432	GRALLMYSERIQIJ-UHFFFAOYSA-N	244.378	4.633	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C1(C)CC(F)(F)C1	720508399	ILRWHDYTWDIFMN-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCN[C@@H](CC(CC)CC)C(C)(CC)CC	721738600	XSFBPUVVGUIFKZ-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)c1ccc2sccc2c1	723150218	ZKYVXTRWPDKTMC-GWCFXTLKSA-N	244.359	4.520	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](C1CCCCC1)C1CC1	724013316	ZLAQWQMGAAIXKN-CVEARBPZSA-N	237.431	4.514	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H](C)c1ccccc1	1181891544	BWXUCOBTDMFCBA-CVEARBPZSA-N	245.410	4.515	0	10	BJAE	
CCCC[C@@H](CC)CNC1(CCCC)CC1	1198555478	ZRCWLRPUMCYBRQ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
C1=CCC[C@@H](CNC2CCCCCCC2)CCC1	1660873063	IHOOXGSLDIGUIU-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCC(CC)CC[C@H](O)C1CCCCCC1	1900703248	RKICYDUSISEIDT-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](NCC=C(C)CC)c1cccs1	1900827959	UVSPMOSJFUFIPT-ZDUSSCGKSA-N	237.412	4.535	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cccc(Cl)c1	1905447536	DKQLXZBQWHACQA-SMDDNHRTSA-N	239.790	4.556	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCC2(CCCCC2)C1	1915871237	QGLVTXXYKQKMKG-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@](O)(CC)c1cc2cc(C)ccc2o1	1919478436	JNSLGVUEDOROAO-MRXNPFEDSA-N	246.350	4.529	0	10	BJAE	
CCCCCC[C@](C)(O)c1ccc(C(C)C)cc1	1919973362	LQISJVIEMDENFI-KRWDZBQOSA-N	248.410	4.988	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@@H](C)C1CCCC1	1924124121	HZJNKHGNSYDAPV-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CC(CCC(C)C)=C1[C@H](CN)CCCC12CCC2	1924804493	PSBGIDUXSXAJLJ-HNNXBMFYSA-N	249.442	4.668	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2C=CCCCC2)C1	1925797636	JFYLPEGUJZLZHX-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cc(Cl)sc1C	1933607637	LZEWHAOUZJKXOS-JTQLQIEISA-N	246.803	4.570	0	10	BJAE	
CCCC[C@H](CCCC1(C)CC1)NCCC	1935924985	RPJPYPXTANOWNZ-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC(C)[C@@H](C)C1(N)CCCCCCCCC1	1938719539	VKBQHIFNEHCZBR-CQSZACIVSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@@H](NCCC)[C@@]12CCC[C@@H]1C2	1940359533	STVJXCOAIVBKBI-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CCC[C@@H]1CC1(C)C)CCC(C)(C)C	1940872995	PQCAKLDEPFYPJQ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCCC2CCCCCC2)C1	1941720324	YGMQXQLVCUVQHC-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)NC1CC2(CCCCC2)C1	1941799611	FMCHWUAJEGSJLV-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](CNC(C)(C)C)[C@H](C)CCC(C)C	1942656518	MEZQGISUXKIHJC-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(=O)C1CCC(F)CC1)CC(C)(C)C	1944470988	DECGZBPILGUJCW-PNESKVBLSA-N	242.378	4.546	0	10	BJAE	
CC[C@@H](C)C[C@]1(CNC(C)C)CCCC1(C)C	1944479018	XYHQLYJVHDPOJV-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)C1(O)CCC2(CCC2)CC1	1944606269	MDYSDAGNCKUJLA-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC(=O)c1cccc2sccc12	1945970004	KAFPIUCUUNUSNO-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(N)C[C@H](C)CC(C)(C)C	1947465822	WKFVGTCVDVFNMW-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@@H](C)CC1CCCC1	1948329227	ZAPUXRWJZFGMSZ-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)[C@@H]1CCC1(C)C	1949075842	LUWRJYSOAWHCPI-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)[C@H]1CC[C@@H](C)C1	1949435106	SFJBLBCCIYFXFH-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](n2ccc3c(F)cccc32)C1	1949492392	CGHCVAWLDAMUBT-NSHDSACASA-N	231.314	4.532	0	10	BJAE	
Cc1ccc(Cl)cc1NCC1CC2(CCC2)C1	1949837305	JKUMLEMGDMCXKM-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@H](C)[C@H](C)CC	1949862865	VXXXBPALCCIEGM-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1cc(C)c(Cl)s1	1960267040	TWOZFZUNDUVBLX-MRVPVSSYSA-N	244.787	4.719	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2C[C@@H]2C2CCCC2)CC1	1966023058	PNMUQGFVWDROMF-XBVQOTNRSA-N	249.442	4.514	0	10	BJAE	
CCCN(CCC)Cc1csc2ccccc12	1968286696	AQDDYBIIFVHQNA-UHFFFAOYSA-N	247.407	4.523	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1CC[C@H]1CC(C)C	1968309927	OVILZFLFEDNQHB-HRCADAONSA-N	239.447	4.616	0	10	BJAE	
Cc1cccc(F)c1NCC[C@@H]1CCC[C@@H](C)C1	1969466834	DPDYSKMNGHCCLG-OCCSQVGLSA-N	249.373	4.762	0	10	BJAE	
C[C@@H](N[C@H]1CCCC[C@H]1C1CCCCC1)C1CC1	1969966231	RSVUXKDUQDUDIZ-COXVUDFISA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(N[C@@H]2CCCCC23CC3)CC1	1972726127	VWANADLQJPXGHR-UYSNPLJNSA-N	249.442	4.658	0	10	BJAE	
CC1(C)C[C@@H]1CCCCC(=O)c1cccs1	1980686920	HVALXCKVTSNTEC-NSHDSACASA-N	236.380	4.537	0	10	BJAE	
Cc1ccc(C(=O)C[C@H](C)C(C)C)cc1Cl	1988298993	GEGWMKLXMLMBPY-NSHDSACASA-N	238.758	4.513	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@H](C)CC)CC1	1989838779	LNQHXNBEXURBLF-MGPQQGTHSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)CCN(C)CCCCCC(C)C	1990844842	DAYIJHGANPSONG-OAHLLOKOSA-N	227.436	4.571	0	10	BJAE	
CCC(C)(CC)C(=O)CCCCC(F)(F)F	1993600248	FBEXEWCKCZETKH-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CC1(Cc2nc(C3CCCCC3)cs2)CC1	1995498646	RGWKYJRZISHEFP-UHFFFAOYSA-N	235.396	4.533	0	10	BJAE	
CCCC1CCC(O)(C[C@H]2CC[C@H](C)C2)CC1	1996273181	SMTKVJYIVNPWOR-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CC[C@](O)(C1CCCCC1)C1CCC(C)CC1	1996546409	JXCATXBWDXBGLJ-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)CCC(C)(C)C)CC1	1997107705	DKXXQQIKIKIJRL-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CCC(C)(CC)C(=O)CC1CC(C(C)(C)C)C1	1998235680	ZYQLRKAKZVVJSC-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H](C)C1CC(C)(C)C1	1998649793	KKCJEWCBMVIMIK-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CCC2(CCC2)C1	1998697790	BKOYPWFOSKXZEA-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC1(C)C[C@]1(C)C(=O)C[C@H]1CCC=CCCC1	1999980390	BSCGPOJTKNMHKB-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)CCC(=O)C[C@@H]1CCC=CCCC1	1999984350	XMTCEXABGGKUFD-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CCCC(C)(C)C1)C(C)(C)C	2000103708	AENVXIPZWGDPII-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC(C)C1(C(=O)CCC[C@@H]2CC2(C)C)CCC1	2000196931	PPDDIQVTFOTLID-CYBMUJFWSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2C=CCCCC2)s1	2000210570	BCWNJAFIQOONGK-ZDUSSCGKSA-N	248.391	4.684	0	10	BJAE	
CCCC1([C@H](NCC)C(C)(CC)CC)CCC1	2000375428	BWFBEVFKWSZPQW-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC([C@](C)(O)[C@@H](C)CCC)CC1	2002924476	IPJLCCSAHGYFKF-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@](C)(N)CCCC2CC2)C1	2002997816	GLROSEDIWCSGPN-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)NC[C@@H]1CC12CCCCCCCC2	2003099129	JOXGDDZTCUXOFL-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H]1CCCCCCC[C@@H]1NCC	2003116233	HRYMXYJWFFDTGG-CVEARBPZSA-N	239.447	4.905	0	10	BJAE	
O[C@@H]1CCCCCCC[C@@H]1CCC1CCCC1	2003119277	UVMVGMFZFGTGJI-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
C=CC=CCCC[C@H](NC)c1ccc(Cl)cc1	2003699636	RABANSFUCILAAD-HNNXBMFYSA-N	249.785	4.513	0	10	BJAE	
CCCC(CCC)CNCC(C)(C)CC(C)C	2004720438	YGUSCIXTEJBJHP-UHFFFAOYSA-N	241.463	4.865	0	10	BJAE	
CCCCC1CCC(C(=O)C2CC=CC2)CC1	2005777244	NGAMMSGIIRVISI-UHFFFAOYSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H](N[C@H]1C=CCCC1(C)C)c1ccsc1	2006915875	YGOQUOIKOPDCDC-KGLIPLIRSA-N	249.423	4.534	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CCC2CCCCC2)CC1	2009411959	UMXXFUJITHBXRI-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC=CCCCN[C@H](C)[C@@H]1CCCC(C)(C)C1	2009596467	QZPWPVOUKHWART-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC)CCC[C@H](CC)C1	2009630248	VESFWJOHHDPELS-INCBCAAFSA-N	237.431	4.539	0	10	BJAE	
CCCCC1CC(O)(C2CCC(CC)CC2)C1	2009715215	ZRLGAAWPINPSSD-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C=C=CC[C@@H](C[C@@H](CC)CCCC)NCCC	2009750558	WLYLASYAGQPACG-HOTGVXAUSA-N	237.431	4.692	0	10	BJAE	
CC[C@H](C)C[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2010718532	BDATYEYRFCJKAW-AEGPPILISA-N	237.431	4.523	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C1=CC[C@@H](C(C)C)CC1	2010727618	YKUZKJQHIKQCJI-HIFRSBDPSA-N	238.415	4.556	0	10	BJAE	
C=C=CCC[C@@H](C[C@H](C)CC(C)(C)C)NCC	2010977285	PUCSJTYWKFAMHS-GJZGRUSLSA-N	237.431	4.548	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@H]1CCC[C@@H](C)C1	2011247573	BLWQKCSAOZQDDC-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
Clc1ccc2[nH]c3c(c2c1)CCCCC31CC1	2011273199	ZGUAXRAFRKXSBO-UHFFFAOYSA-N	245.753	4.579	0	10	BJAE	
CCCN[C@H](CCCC[C@H]1C[C@@H]1C)C(C)(C)C	2011582773	CTAXTAFLLNQZPP-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC12CCC(CC1)C2	2012810832	UFLFZSXBPDOVIV-LVDPKSTMSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)CC(C)(C)C(C)C	2013236466	IJMPZHDBLSJBRL-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
CCc1cccc(N[C@H](C)C2(C)CCCC2)c1	2014336046	AQEYDWGHSAZGDW-CYBMUJFWSA-N	231.383	4.630	0	10	BJAE	
CCC(CC)(CC)CNC1(CC2CCC2)CC1	2015797374	TZIYLUVYBVHSNE-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@H](C)[C@@H](C)C1	2016148601	BBKSTPXSUQGLAS-JONQDZQNSA-N	238.415	4.556	0	10	BJAE	
CC(C)c1ccccc1N[C@@H](C)C1CC=CC1	2016346933	WAKVALIKPHVPRT-ZDUSSCGKSA-N	229.367	4.577	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)C[C@H]1C[C@@H]1C	2016851734	KOXSNDGIRNWQRK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)NC[C@H]1CC[C@H](C)CC1	2017725797	UMTPUGNONONIIT-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@]1(C)NCCC1CCCCCC1	2020577090	ASBDYELSWDPBGA-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC1(N)CCCCCCC1	2022495066	GJLYIJJQMGDXKE-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2022990280	DBJOXMNGPASQTO-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)CCC2(C)CC2)C1	2024101886	NWXOCDYXCWLHKD-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CC(C)(C)CC[C@@H]1NCC	2024115488	FNMPZLMHPKJSOD-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@@H](N)C2CCC3(CC2)CC3)CCCCC1	2027313580	GZJIRBQXYZXCRG-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
Cc1cccc2nc([C@@H](CC(C)C)C(C)C)[nH]c12	2028259273	ZAFBCORNLNMHBR-ZDUSSCGKSA-N	244.382	4.657	0	10	BJAE	
CN[C@@H](c1cccc(C2CC2)c1)[C@H](C)C(C)(C)C	2028557586	OSRLBYZTWQVQMW-BLLLJJGKSA-N	245.410	4.507	0	10	BJAE	
CC(C)CCC[C@@H](O)c1cccc(C2(C)CC2)c1	2028562824	OOBJBEDZNANZMJ-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CCCC[C@@H](NCC)c1ccc(C2(C)CC2)cc1	2028598463	QWMGGCGVBYLRTE-MRXNPFEDSA-N	245.410	4.579	0	10	BJAE	
CC(C)(C)C[C@H](N)c1ccc(C2CCCC2)cc1	2031752908	UATXMRIGBDEYRF-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
C1CCC(CCNC[C@@]23CCCC[C@H]2CCC3)C1	2031788311	HUUXRSUXKRLQGS-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CCC1CCC(C(=O)C2C[C@H]3CC[C@H](C2)C3)CC1	2033100497	LKICATFZWUMGIW-GQKFXUNGSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C[C@@H]1C=CCCC1	2035575279	GLAGSHVMYBTXMD-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)C1CCC(C)(C)CC1	2035597322	BWYSXEYWCVWLEJ-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCCC12CCC2	2035891124	JCXUZRLGTBSQFN-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
N[C@@H]1[C@H]2CCCCCCCC[C@H]2C12CCCCC2	2035892450	RRSLUWFMXIRZJM-ARFHVFGLSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@]2(N)C[C@@H]3CCCC[C@]3(C)C2)C1	2036661233	OIDXJPNJUQLBGF-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CC1CC2(CCC2)C1	2037978630	BDQBPGQEMXXBOA-PMPSAXMXSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](NCCC1CC(C)(C)C1)c1ccccc1	2038100823	KAYNPFYZOSANCW-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
C[C@@H]1CCC[C@H](NCCC2CC3(CCC3)C2)CC1	2038103656	QGFQBPWSLBKLEO-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CC1=CCCC1)[C@H]1CCCC(C)(C)CC1	2039383997	GCAHJKCGTAGOCF-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)C2CCC(C)CC2)c1	2040634141	VYAPGDYCZLLHKQ-NRAUKZCXSA-N	245.410	4.930	0	10	BJAE	
CCCC(C)(C)[C@@H](N)Cc1ccc(C(C)C)cc1	2040723565	LMAAALLEZCNMNB-INIZCTEOSA-N	247.426	4.506	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)[C@H]1CC=CCC1	2042022557	SBBKYTDMZZKLJR-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2(C3CC3)CCCCC2)C1	2042948589	KFLMVHWKFNADLY-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H]1C[C@H]1c1ccccc1	2045608154	GBOWRNSGRUDAJU-LSDHHAIUSA-N	244.378	4.576	0	10	BJAE	
CC1(C)CCC[C@@](CNC2CC2)(C2CCCC2)C1	2049497950	HLQNZDYQOHTINQ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
O=C1CCCCCC[C@@H]1CCCc1ccccc1	2049700755	KWOBBBUZHUZZFQ-MRXNPFEDSA-N	244.378	4.549	0	10	BJAE	
CC1(CCCN2CCCC[C@@H]2C2CCCC2)CC1	2051673097	YVFHTZVZZKVCNJ-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H](N[C@@H](C)C1(C)CCC1)c1ccccc1	2052348279	JDTIKXILPOBQRC-HOCLYGCPSA-N	245.410	4.696	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@]2(CN)CCCCC23CC3)C1	2053412537	SKZYXXCDATUZJQ-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC[C@@H]1C)[C@]1(C)C=CCCC1	2055281307	YDBOUQOECYQTCU-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NCC1(C2CCC2)CCC2(CC2)CC1	2056525628	JAEAACNTVVRLTH-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(C(=O)CC2CC(C3CC3)C2)CC1	2056666017	LHKGJPHCWDRVOF-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H]1C[C@H]1CC(C)C	2056876702	SOUYJGPFYCQHLT-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](C1=CC[C@@H](C)CC1)C1CCC(C)(C)CC1	2060925733	MRBABOAJHUSFLV-CJNGLKHVSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(NC2CC(=C3CCC3)C2)CC1	2061258244	MUPDVBVYSYUZMD-UHFFFAOYSA-N	247.426	4.578	0	10	BJAE	
C=C=CCC[C@H](NCCC)C1CCC(CC)CC1	2061564982	ARPMUADBSKDAHE-JCYILVPMSA-N	249.442	4.692	0	10	BJAE	
CCN[C@H](C[C@@]12CCC[C@@H]1C2)C1CCCCCC1	2061616349	JEFSUCFJAJTBNL-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](CCC1CC(=C2CCC2)C1)C(C)(C)C	2061740127	VHRBZAFRGGORIB-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@@H]1CCCCCC12CC2	2062015911	BZGCDJHHBGFXON-HUUCEWRRSA-N	249.442	4.658	0	10	BJAE	
CC(C)c1ccncc1N[C@@H](C)C1(C)CCCC1	2067530503	RHLDCKSGZJFPHH-ZDUSSCGKSA-N	246.398	4.586	0	10	BJAE	
C[C@](N)(CC1CCCCC1)CC1C[C@H]2CC[C@@H]2C1	2068778139	YGNRSMDRHLFRFA-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)C[C@H]2CC23CCC3)C1(C)C	2069191266	XFKUFXFCHDJPHW-WWGRRREGSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCCC1CCC1)C1(CC2CCC2)CC1	2069581138	PBKAASRSKGUQES-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(=O)c1ccc(C(C)(C)C)cc1	2070948952	XGSUTELDTIMECZ-YVEFUNNKSA-N	244.378	4.603	0	10	BJAE	
CC1(C)CC=C[C@](N)(CC2(C(C)(C)C)CCC2)C1	2071916286	XSJPEFNGSZUWTM-QGZVFWFLSA-N	249.442	4.667	0	10	BJAE	
CC(C)C1(CC(=O)C2CC3(C2)CC3(C)C)CCC1	2071922452	RRFIOSMXOLTWDO-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C[C@H]2CC23CCC3)CC1	2072704205	JUZXFDQGMIQPBN-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C=C2C[C@H](C)NC[C@@H]2C)CC1	2072818976	QRZMHBYOFDHMFA-FXQLRMTLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@]1(C)Nc1ccc2ccccc2c1	2073008729	OANFCJRPNPTVIQ-DYVFJYSZSA-N	239.362	4.830	0	10	BJAE	
CCCN[C@@H](CC1(CC)CC1)C1(C2CCC2)CC1	2074646566	NWJAHJXKBSXHRZ-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)CN(C)[C@@H](C)c1ccccc1	2074790643	VSWKLCNAUPVDKR-HNNXBMFYSA-N	247.426	4.896	0	10	BJAE	
CCC(C)(C)CCN(C)Cc1cc(C)ccc1C	2074925321	NFXRJNVIEKKMOF-UHFFFAOYSA-N	247.426	4.562	0	10	BJAE	
CN([C@H]1C=CCCC1)[C@@H]1CCC2(CCCCC2)C1	2075084126	ITVLWLGVWWQLAO-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
CCc1ccc(N(C)CCC2=CCCCC2)cc1	2075148606	PHMPZTCCZSFMOD-UHFFFAOYSA-N	243.394	4.576	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CCC3CC2C3)c1	2077262544	AZEBKWPWHSDDKF-LDZOIKDWSA-N	241.378	4.555	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1C[C@H]1C1CCCC1	2079436139	SOWLOXKDMILRBQ-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]2C2CCCCCC2)C1	2079526760	GFHTWZBFXIKNBN-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(OC[C@@H]2C[C@H]2C2CCCCC2)cc1	2079803043	LZPDEVSKOXUXQQ-RDJZCZTQSA-N	244.378	4.590	0	10	BJAE	
CC1CC(C)(C(=O)C[C@H]2C[C@H]2C2CCCCC2)C1	2079843610	ROCJJDPCCNHCSP-JIDKMEAJSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)c1cccc(C2(O)CCCCCC2)c1	2083540681	BMXFYELTOZCQJU-UHFFFAOYSA-N	246.394	4.526	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)c1ccc(C)c(C)c1	2086053773	NIXBHXBDDDFOPK-CXAGYDPISA-N	247.426	4.910	0	10	BJAE	
CCCC[C@@H](CC1(C)CC(C)(C)C1)NCCC	2215397402	CLUYYTDAGSGQME-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCNC[C@@]1(C)CC=C(C)CC1	2215806269	CJKZZWCRZNXJFS-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCC1CC(CC(=O)[C@]2(C)CC=C(C)CC2)C1	2215820379	CXLCPQIIKJAERI-ZBCRRDGASA-N	234.383	4.518	0	10	BJAE	
CCCCCC[C@]1(O)CCC[C@@H](C(C)(C)C)C1	2216252456	KFMRMFAYSJIITC-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C(C)(C)CCC	2216279646	PQYPHPINRDPCJS-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CCCCC(F)F)CNCC	2216445173	RKUPEIOWKIUAMZ-AWEZNQCLSA-N	249.389	4.618	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@@]2(C)C[C@H]12	2217278249	ZZKPQFCSWDSOIR-YUELXQCFSA-N	249.785	4.503	0	10	BJAE	
N[C@@H]1CCCC[C@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218365186	KZBXZQVWPRRRMS-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCNC[C@@H]1CCC12CCC2	2218715875	ZOELXJBKIZBVLM-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
C(CCCC1CC1)CCN[C@H]1C[C@H]2CC[C@H](C2)C1	2218754440	MSTUKQRDPLSBMP-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
Fc1ccc(F)c(CCC=Cc2ccccc2)c1	2219077253	AIYXHMZUCLLMNH-UHFFFAOYSA-N	244.284	4.611	0	10	BJAE	
CCCC[C@@H](C/C=C/c1ccccc1)NCCC	2219083427	WMFIHPHZNYIKFA-KQPPXVQYSA-N	245.410	4.648	0	10	BJAE	
CCCCc1ccc(NCC[C@H]2C[C@@H]2CC)cc1	2220929708	ROHRVIQKHCMAHY-HOTGVXAUSA-N	245.410	4.877	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C2CC(C(C)(C)C)C2)CC1	2221627472	UUXPEHMIMLMXDO-BOXZVXIZSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H](C)C[C@@]1(CNC2CCC2)C=CCCC1	2223546549	KPKATNUEKRSEFS-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](C)(CNC1CCC1)C1CC2(CCC2)C1	2223598199	SDNZAQSFKABBOS-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H](C)CC(C)(C)C	2244779644	DZWJZFFQSZLUMK-CHWSQXEVSA-N	226.404	4.844	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@H]1CCC(=O)C1	2244844996	JWFQVDALGLNECI-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
O=C1CCCC[C@H](c2cc3ccccc3s2)C1	2246953372	YNPJYHKVVZDVMV-NSHDSACASA-N	244.359	4.518	0	10	BJAE	
Cc1cc(N[C@@H](C)CC2CCC2)cc(C)c1C	2249488288	WECXONKXDKFNHK-ZDUSSCGKSA-N	231.383	4.602	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2250357565	XAHIVSYWEHVTPV-BYNSBNAKSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@](C)(CN)C1CC1	2250491469	PKETUCCTGJIXIE-GDBMZVCRSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](NCC)C1CC(CC(C)(C)C)C1	2251546678	ZRNRSVRTMLOVAH-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CCC1=CCC[C@@]1(O)CC[C@H]1CCCCC12CC2	2253878340	NBVUMNLNRGZJFC-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)CCC=CCCC2)C1	2253968745	KRYAYDDFXMCVNW-IXDOHACOSA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC1CC2(CCC(N)CC2)C1	2254521442	LDPDQWBCZCQHOK-VAMBABPQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC1CCCC1)NCC[C@@H]1CCCC12CC2	2255229161	VZTJPHLEJXBDFC-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@H]1CCCC12CC2	2255229473	REQMDWVAUCKTQT-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCCC1)[C@H]1CC1(C)C	2257082898	ZJWPUJRCQRSFIK-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(N[C@H]2C[C@@H]3CCC[C@@H]3C2)cc(C)c1C	2258237045	MIAREEVPYLTNTG-SCAQPMJSSA-N	243.394	4.602	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CC1(C(C)C)CCC1)C2	2259432106	BMAWXUZNJPGTMG-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1C2(CCC2)C12CCC2	2259467371	XUNAWQIAIHKARE-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@]23CCC[C@H]2CC3)c1	2260516411	MQEJVMUYFVYBJK-DOTOQJQBSA-N	242.362	4.573	0	10	BJAE	
CC(C)(C)C1(CN[C@]23CCCC[C@@H]2CC3)CCC1	2260544337	RTSMDDLEFNZWRX-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCN(C[C@@]12CCCC[C@H]1CC2)C1CCCCC1	2260564868	IRWHMFLBLFIMBR-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
CC1CC(CCC(=O)CC2CC3(CC(C)C3)C2)C1	2261513605	VBHHQRDRVIAPCR-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@H]1CCC[C@H]1CCC(CC)CC	2300698625	BDKLAFRPRBOZHE-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301065805	IREWWHPNHCOQSM-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
CCN[C@@H](CCCC1CCCCCC1)C(C)C	2301141760	CDMXDYJBGFQMDL-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CC2CCCCCC2)CC1	2301141906	DMHIIWFNXWFLGK-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H]1CC(C)(C)[C@@H]1C	2302127896	NBCYECSRUABOMQ-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCCC1CC1)CC1(CC)CC1	2302575685	AGRNIIIYTKHAGP-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
O[C@H](CCCCCC1CC1)CCCCC1CC1	2302584638	JYTVNIQNOJHSEE-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)CCCC1CCC1	2303444181	GNQGINLCRQSVSJ-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](C)CCC[C@H]1CCC(C)=C(C)C1	2303527757	VZTKAPLXXUVEFS-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C[C@@H]2CC2(C)C)CC1	2303582017	DALRXYJRDXEURH-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
C[C@H]1CCC[C@H](C[C@@H]2C[C@H]2C2CCCCCC2)N1	2311570421	KHGTYYWSWBMBES-SVGFKBNWSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312883724	DLNIIBRQVTUGAX-DMRKSPOLSA-N	249.442	4.514	0	10	BJAE	
O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)C1CCCCCCC1	2312958915	XLTJNZZIAQDLAL-KBMXLJTQSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CC(CC1CC1)CC1CC1)C1CCCCC1	2313602937	FESPBZLRHQDDPT-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
CC(=CCN[C@@H](C)[C@@H]1CCCC(C)(C)C1)C1CC1	2315273898	URFCOCAYBFKXRG-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@](C)(N)c1cccc(C(C)C)c1	2315957549	XRZANPCTMREBQE-KRWDZBQOSA-N	247.426	4.810	0	10	BJAE	
CC(=CCN[C@@]12CCC[C@@H]1CC2)CCCC(C)C	2316499357	MWSMDTICOJVQOS-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@H]1CCCC12CC2	2316538822	YHEZHMXLYHDAPX-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC=CC[C@@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1CC2	2316691279	VSJMRKWMXUONDK-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
N[C@@H]1CCCC[C@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1	2316878258	MJUVYCXSOIWVDU-BQJWPVKWSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(CC2CCCCCC2)CCC12CCC2	2316923365	MIHJLZOIZLYKAO-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2317013691	RWUDMFWLXYXJIR-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)[C@H](C)[C@@H](C)C(C)C)c1	2317827373	LCJMDHPSHXNGSJ-YSVLISHTSA-N	248.410	4.573	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@H](N)CCCC2=CCCCC2)C1	2318562373	VCTVAOBAZHCVFP-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
O=C(CCCCC1CC1)C[C@H]1[C@H]2CCCCC[C@H]21	2318877087	QCQSMDNVPLSIKC-BJWYYQGGSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](C[C@]2(CN)CC23CCCCC3)C1	2319071223	HUVNVTKCRAQBMK-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
C[C@]1(C(=O)CC[C@H]2CC[C@@H]2C2CC2)C=CCCC1	2319697593	AATLCSJAIQAFKJ-INMHGKMJSA-N	246.394	4.518	0	10	BJAE	
CC1CCC(C(=O)CC[C@@H]2CC[C@@H]2C2CC2)CC1	2319731277	SLJWIVRYHYVVNT-OMFOHFGMSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C[C@]1(N)CCC=CCCC1	2320321246	XKHWSTSGTBOBCF-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@](C)(N)C2CC(C)(C)C2)CC1	2320335105	UMTPGMIXUNVWAE-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@](N)(C[C@]23CCCC[C@@H]2CC3)CC1	2320402735	VRMQFHMETPIAIS-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
CCC[C@H](CC)C[C@](N)(CCC)c1ccccc1	2328281157	FWSGATSBPRYXJZ-DOTOQJQBSA-N	247.426	4.857	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)c1cccs1	20520340	URVMHODLZDVZBY-STQMWFEESA-N	239.428	4.758	0	10	BJAE	
CCCCc1ccc([C@@H](C)N[C@@H](C)C(C)C)cc1	20522497	XZVNWCAZQLCZFD-LSDHHAIUSA-N	247.426	4.724	0	10	BJAE	
CC[C@H](Nc1cc(C)ccc1C)c1cccs1	21060977	QOVUJNPHAUOMJP-ZDUSSCGKSA-N	245.391	4.928	0	10	BJAE	
Cc1cccc2sc(Cl)c(Cl)c12	34364012	PZAACYJZHJQBRO-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCC[C@H](O)CCC[C@@H](C)CCCC(C)C	59217566	UGCXIXZVQXIFLH-GJZGRUSLSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@H](CC)CCC[C@H](O)C(C)(C)C	70779555	UNVMCXTWQFGCPB-KBPBESRZSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](NCC)C(C)(C)C	71085306	NYPNRXNDHXOARP-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC(C)(C)CC(C)(C)C)C1	71114769	LMHBIKPYXNFLJJ-ZIAGYGMSSA-N	239.447	4.760	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCC[C@H](C2CC2)C1	81637730	LOGUOYVTTXPXHQ-UONOGXRCSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@H](CC)CC(C)(C)C[C@H](C)NC	82816741	DIGMSMKSHOLUIJ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](CC)NCC1CCCCC1	83354253	KDTPODQQKHRACH-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@H](Nc2ccsc2)CC1	85529055	XUUIJMLNJKMYSY-OLZOCXBDSA-N	237.412	4.909	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@H](C(C)C)CC1)C(C)C	86945212	LREZCMCZZJVKED-JYJNAYRXSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)Cn1ccc(C(=O)C(C)C)c1	91824418	OCLKOIJUPQRPRA-CQSZACIVSA-N	249.398	4.543	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)(C)C)C1=CCCC1	104434104	XLJSSEDQFIXVSQ-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
C/C=C\[C@H](C)Cc1ccc(CCCC)cc1	107479068	BSOWFZVFACSGGL-VSKVDJIOSA-N	216.368	4.784	0	10	BJAE	
CC/C=C\C[C@H](CC)c1ccc(O)cc1C	107490096	KQIDSRWKZSAOKZ-FWWRYZNZSA-N	218.340	4.551	0	10	BJAE	
C/C=C\C[C@H](C)c1c(F)cccc1Cl	107504954	GUDBRFZHMYDGIF-TYRPZCRBSA-N	212.695	4.549	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1ccc(C(C)C)cc1	109718151	WZYISFLBIVDGMO-CJNGLKHVSA-N	233.399	4.507	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)C1=CCCCC1	110229596	JZIDAXNPYPGYEY-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC(C)(C)c1ccc(-c2ccccc2F)cc1	112732867	CJZXPMOBBOQJOQ-UHFFFAOYSA-N	228.310	4.790	0	10	BJAE	
CC(C)c1ccc(N[C@H]2CCC(C)(C)C2)cc1	129209863	SXYDBEYNXOKZMB-HNNXBMFYSA-N	231.383	4.801	0	10	BJAE	
CCC(CC)C[C@@H](N)c1ccc(C(C)C)cc1	148207757	KICNJZGMKXUHAJ-MRXNPFEDSA-N	233.399	4.636	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCC[C@@H]1CNC(C)C	155625645	XAWFVCFNXFQDMR-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C[C@H](C)CC	161052237	BHFPMGSSKGDPEP-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCC(C)(C)CCNC(C)(C)C	166345296	SMIKVTQEBUOMDD-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@@H](CCCC1CCCCC1)C(C)C	203530883	XGPBXJCUVDBDRR-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC(CCC)c1nc2cc(C)c(C)cc2[nH]1	212042444	YFJZTQOFIAAKHK-UHFFFAOYSA-N	244.382	4.864	0	10	BJAE	
CCC[C@@H](NCC)[C@@H](CC(C)C)c1ccccc1	212496355	RSOCQPRFCQMWKI-DLBZAZTESA-N	247.426	4.595	0	10	BJAE	
CCc1ccccc1N[C@H]1CCCC[C@@H]1C(C)C	214417996	RPDGOXNIBRELEH-WBVHZDCISA-N	245.410	4.876	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CCCC[C@@H]1C(C)C	214431708	OZVHADBOBVRGRU-ARFHVFGLSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)[C@@H]1CCCCC1(C)C	226825075	KMIWSPXWKLQRJZ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C=C(C)C)[C@@H]1CCCCC1(C)C	226859092	SXSDCDOFPVHCJR-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)C(C)(C)CC	228728820	ZHFSFFXDIMOBAL-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CCC[C@@H](C(C)C)C1	230993452	WQRVQQMRBVLYTM-ZIAGYGMSSA-N	249.373	4.761	0	10	BJAE	
CCCCCC(C)(C)CNc1cccc(C)c1N	232930681	HPPHNDLAZJWHIH-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
CCCCC[C@H](C)Nc1cc(F)c(C)cc1F	232965990	PVPVGYARWPOJTG-NSHDSACASA-N	241.325	4.654	0	10	BJAE	
CCCCCC[C@H](O)c1ccc(Cl)cc1C	232966019	IOSUJJQCVFKLCJ-AWEZNQCLSA-N	240.774	4.652	0	10	BJAE	
CCCC[C@@H](CC)[C@@H]1CNc2ccc(C)cc21	232985110	KLDONKFECUTDOD-HIFRSBDPSA-N	231.383	4.721	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)c1ccccc1	233545861	VUYDFQFZLIXBLI-KRWDZBQOSA-N	243.394	4.618	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)C[C@@H]1C[C@H]2CC[C@H]1C2	250514225	FBPRRWUUUCIXBP-FPQPPCKZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](c1ccc(C=O)cc1)C1CCCCCC1	259031583	VRFIPPSSEJBUTG-CYBMUJFWSA-N	230.351	4.573	0	10	BJAE	
CCCC[C@@H](C)[C@@H](CCC1CCCCC1)NC	305952416	DBLNZTWWNLNCMM-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](NCC)C1=CCCC1	308071901	JAERPJSQIMOMLJ-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CCc1ccc([C@@H](NC)[C@H](CC)CC(C)C)cc1	308087382	YETJGONIENBZAN-WBVHZDCISA-N	247.426	4.582	0	10	BJAE	
CC1(C)CCC(CC[C@H](O)C2CCCC2)CC1	310163276	RRYUJXQHBHRFAX-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)CC1CCC(C)CC1	310554935	XYMAWCHBIFUVEW-PYBGIAKNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@H]1NCCCC(C)(C)C	313251119	IBMKCPDVCRTAHE-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCNC[C@]1(CCC2=CCCCC2)CC[C@@H](C)C1	317105232	BQOJSAYQEJGKBI-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CC[C@@H](C)[C@@H](C)n1ccc2cccc(Cl)c21	319524153	ACPJHDGHTHORLE-GHMZBOCLSA-N	235.758	4.902	0	10	BJAE	
CCC1(Nc2ccc3ccccc3c2)CCCC1	382570623	QYCUCTLSQQPGMW-UHFFFAOYSA-N	239.362	4.975	0	10	BJAE	
Cc1cscc1[C@H](N)CCCCCC(C)C	383214564	CVFXOZDGGPQWBU-CQSZACIVSA-N	239.428	4.663	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CC(C)(C)C[C@H]1C	383460947	AUSKVKHOVVMBIA-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cccc(C(F)F)c1	386190618	PWXJIBFPUFZAJK-ZWNOBZJWSA-N	239.309	4.615	0	10	BJAE	
CCN[C@@H](CC1(CC)CCC1)c1cc(C)oc1C	386348123	OWOQQABSMXCKGX-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
C/C(=C/c1ccc(Cl)cc1F)[C@@H](C)Cl	388954721	BILLNFSFUUBBCM-GRKOMRHMSA-N	233.113	4.510	0	10	BJAE	
CC[C@@H]1CCC[C@H](/C=C(/C)CNC(C)(C)C)C1	394533116	ZWQXKHPEFMXKBJ-TZNPFNDMSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)CNc1cc(F)cc(F)c1	395238862	SUMHMSWJEYWMOR-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
CCN[C@@H](c1ccc(C(C)C)cc1)[C@@H]1C[C@H]1CC	395543554	OJQFYWOBHYUXOB-XYPHTWIQSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H](Nc1cc(C)cc(C)c1)[C@@H]1CC1(C)C	397585987	INKDDKCDAYXAHV-LSDHHAIUSA-N	231.383	4.540	0	10	BJAE	
C[C@@H](CNc1cccc2ccccc12)C1CCC1	398627374	IKVIHIRPTKTSNZ-ZDUSSCGKSA-N	239.362	4.688	0	10	BJAE	
C[C@H](CCC(C)(C)C1CC1)[C@H](O)c1ccccc1	405981366	ZWJYYPVZSUPTJO-CJNGLKHVSA-N	246.394	4.573	0	10	BJAE	
CCC[C@H](c1nc2cc(C)cc(C)c2[nH]1)C(C)C	587955041	ITNXDPMYTWJAND-ZDUSSCGKSA-N	244.382	4.719	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC(C)(C)c1ccccc1	686649339	DADWZUKTCWIMFF-QGZVFWFLSA-N	248.410	4.542	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC(C)(C)C(F)(F)CC	691004534	YPJZDKPQANNJMY-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
N[C@H](C[C@@H]1CC2CCC1CC2)C1CCCCCC1	691778530	QDGXJSOVBPMFFR-YQEWQEHLSA-N	249.442	4.501	0	10	BJAE	
CCCCCC(=O)[C@]1(C)CC[C@H](C)C1(C)C	699079248	RNWPZNDYEAIQSF-WFASDCNBSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C1CC(C)(C)C1	701458328	KRUMNICLSRFFDL-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@](C)(N)CC1CCCCC1	704889110	MJSNROLVKDANJA-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@](C)(N)C[C@H](C)C1CCCCC1	704954070	CJCTYEAIVSONLF-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](N)C[C@H](C)CC(C)(C)C	709126588	JQZFLIKAGXMUHD-ZFWWWQNUSA-N	241.463	4.993	0	10	BJAE	
C[C@@H](Cc1ccc2c(c1)NCCC2)CC(C)(C)C	709152173	GASPNQZJQIRZDC-ZDUSSCGKSA-N	245.410	4.660	0	10	BJAE	
C[C@H](C[C@@H]1Cc2ccccc2C1=O)CC(C)(C)C	709277296	XGKTVJCITOLXIU-TZMCWYRMSA-N	244.378	4.504	0	10	BJAE	
CC[C@H](C[C@H](N)C1CCC(C)CC1)C(C)(C)C	711114171	QVBFZHODGHCEKY-CVSAEHQPSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@](CC)(CO)CCC(C)(C)CC	711268601	DXSYKAOYZQMWBI-HNNXBMFYSA-N	228.420	4.782	0	10	BJAE	
CC(C)C(C)(C)C[C@H](C)[C@H](C)CNC(C)(C)C	713212585	QNUBOWRVBHFISE-UONOGXRCSA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)CC1(N)CCC(C(C)(C)C)CC1	713242117	HBWLKXJDXOSBAS-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC/C=C/C[C@@H](C)c1ccc(Cl)cc1	714530822	GGBKBHJVMHWIDA-SGUJLRQBSA-N	208.732	4.800	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1cscc1C(F)F	717255612	AAYNEDORXZDWSG-HTQZYQBOSA-N	246.322	4.551	0	10	BJAE	
CCNCC1(C2CCCCCC2)CCC=CCC1	718067754	LQENTPIWQUTHMG-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
Cc1cc(N[C@@H]2CCCCCC2(C)C)ccc1F	719258080	BVQHXYWDOZAMTO-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
FC(F)c1cccc(NCCCCC2CC2)c1	720188514	SCUYWFSPXZGNHA-UHFFFAOYSA-N	239.309	4.616	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@H]1C[C@H]2CC[C@H]1C2	720955217	MSLFRXXHZDXZQW-QAETUUGQSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	723123928	MMLBQOIYPSUXHB-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C[C@@H](O)CC2CCCCCC2)C1	723578000	BTGCVNGYKOHTNG-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@H](C1CCCC1)C1CC1	723958940	FBPOVMMBKVKXPZ-KBRIMQKVSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCN(C[C@H](C)C(C)(C)C)c2ccccc21	1459714148	DFRRVAXKLVIHCE-KBPBESRZSA-N	245.410	4.682	0	10	BJAE	
C1=C(CN2CCC[C@@H]2CC2CCCCC2)CCC1	1652387109	QFVXXCBDHADQGE-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
CC(C)(C)Cc1c(Cl)ccc(Cl)c1F	1889589503	RNXHYOFOFVPGFM-UHFFFAOYSA-N	235.129	4.721	0	10	BJAE	
CC[C@H](O)[C@H](C)CC=C(C)CCCC(C)C	1900837613	FBCNTUPGXISZGE-CABCVRRESA-N	226.404	4.556	0	10	BJAE	
CC(=CCc1cocc1C)CCCC(C)C	1900839774	WSIDMFBJGRETSV-UHFFFAOYSA-N	220.356	4.903	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CCC(C)(C)C	1900853495	IXKAHUGEDFTPGD-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCc1cscc1N[C@@H]1CC[C@@H](C)[C@H](C)C1	1902381732	QQPPOXQQZSPWDD-NQBHXWOUSA-N	237.412	4.547	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CCCCC[C@H]1C	1905373526	HEXBIVBJQHWOBM-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@@H]1C1CCC1	1909630280	DMMNQIITLPPJEP-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H]1C[C@H]1NC1CCCCCCCCC1	1910688548	CCAGMXQUEXOSBN-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
CC1CC(C)(CN[C@@H]2CCC3(CCCCC3)C2)C1	1915882322	WXUNXJFTOPCYIO-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CCC[C@@]1(N)CCC2(CCCC2)C1	1916425133	BNYVVMSEAQAAMX-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](C(=O)CC1(C)CCCC1)C1CCCCC1	1924101834	VERSPWAQAWLMIP-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H](C)C1CCCC1	1924126430	QQECJSOOQCOJCT-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCN[C@@H](C)c1ccc(C)cc1C	1926171652	ACJQIRLYUFYFEZ-HNNXBMFYSA-N	247.426	4.780	0	10	BJAE	
CC1(C)C[C@H]1CCCNc1ccsc1Cl	1927808764	WEIIHGKVWUHFGP-SECBINFHSA-N	243.803	4.640	0	10	BJAE	
Cc1ccc(OCCCC2CCC2)c(Cl)c1	1936613507	PCXYMKORJUIFRT-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
CCc1cc(C(=O)[C@@H](CC)CC(C)C)cs1	1936768199	BGTLYGKCXZTXSI-NSHDSACASA-N	238.396	4.566	0	10	BJAE	
CCc1ccsc1C(=O)C(C)(C)C(C)(C)C	1938208462	GYKQVBQAVONKQZ-UHFFFAOYSA-N	238.396	4.566	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)c1cc(C)cs1	1939458476	MCNDJIXNXCJCIJ-TZMCWYRMSA-N	239.428	4.519	0	10	BJAE	
C[C@@H](C[C@H]1CCCCN1)CC1(C)CCCCC1	1940406600	MTFATSJGXMWYHL-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C)[C@H](CC)CC1(C)CCCCC1	1940414209	IFLHQDSGGOOHKP-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(C(=O)CC2CC(C)C2)CC1	1940678148	LXHKBVSWGVAXKM-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@]1([C@H](C)CCC(C)C)CCCCCN1	1942664634	UAMJJEQPKMSQPN-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC1CCC(F)CC1	1944534627	MOJCPTQMOGIGMY-PNESKVBLSA-N	242.378	4.546	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)C(C)(C)C1CCCCC1	1944661729	VSQHIFRWQMMDMY-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCCCCCC1(F)F	1947291038	ZMHIFMJIBOMWFJ-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)NCC(C)(C)C(C)(C)C	1948331190	DVMIZAUVVQBYKB-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@@H](C)CC(C)(C)C)CC1	1948428920	OBZBXXBQSNIKJK-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(N[C@H]2C[C@H]3CC[C@H]2C3)c(C)cc1Cl	1948808551	CHKMFPWTDBSMIJ-HUBLWGQQSA-N	249.785	4.557	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CCC[C@H](CC(C)C)C1	1949023911	GYNSJAWZZXBPNE-HZPDHXFCSA-N	237.431	4.667	0	10	BJAE	
CCN[C@H](CC(C)(C)C)[C@@H]1CCC[C@H](C)CC1	1950924983	PDWYGCBZMPVIIM-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(CN)CCC[C@H](C)CC1	1950931715	YRFUUPUOKMTWPB-JYJNAYRXSA-N	239.447	4.604	0	10	BJAE	
CC=CC[C@H](CC)c1ccc(OC)c(C)c1C	1951309166	VZUIQQOAGWXXHY-AWEZNQCLSA-N	232.367	4.772	0	10	BJAE	
C1CCCCN(CCCCCC2CC2)CCC1	1966152921	YKVSXOGODKPCQT-UHFFFAOYSA-N	237.431	4.613	0	10	BJAE	
CCC1(CC)CC(Nc2cc(C)ccc2F)C1	1968340765	CWKATFKEYDSOPG-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H](NC1CCCCCCCC1)C(C)C	1980337830	XPMVDQRHNYQTFQ-OAHLLOKOSA-N	225.420	4.514	0	10	BJAE	
CCC(C)(C)CCC[C@@H](NC)c1cccs1	1980691912	HYXKZEWLAMPNDG-GFCCVEGCSA-N	239.428	4.615	0	10	BJAE	
CC=CCCC[C@H](NCCC)c1ccsc1	1984612803	RKNVHCUAXUDBCQ-AWEZNQCLSA-N	237.412	4.535	0	10	BJAE	
C/C=C/CCCC[C@H](CCCC)NCCC	1984631617	DRNIXKMVWUSVJM-SZTZYQKNSA-N	225.420	4.681	0	10	BJAE	
CC(C)[C@@H](C)CCC(=O)c1ccc(Cl)cc1	1988290932	JZYGNDPCIJYZQV-NSHDSACASA-N	238.758	4.595	0	10	BJAE	
CC(C)=C(F)C[C@H]1CCCCCCCC1=O	1989652269	UBAQAZGHAGMWPD-GFCCVEGCSA-N	226.335	4.570	0	10	BJAE	
CCCC[C@@H](CC)NC[C@@H](C)CC(C)(C)C	1990048427	FSTIYYMTXWGOAP-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)N(C)CCC(C)=C(C)C	1990124196	VWQLKSNYZRXHFD-OAHLLOKOSA-N	225.420	4.633	0	10	BJAE	
CC(C)=C(C)CCN[C@@H](C)C1(C)CCCCC1	1995980262	KKNLTGBCAKREQL-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H](C)C1)[C@H](C)CCC	1996248892	ZSZSRQMHRLSGMF-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC[C@](O)(CCCC(C)(F)F)C1CCCCC1	1996547816	PEFFFCVRNBBHLB-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
C[C@H](N[C@H](C)C1CCC(C)(C)CC1)C(C)(C)C	1996553369	PDHOEXAVHJFPQE-OLZOCXBDSA-N	239.447	4.616	0	10	BJAE	
CCCC(C)(C)[C@H](N)CC1C[C@@H](C)C[C@H](C)C1	1996611424	CGFAEICESNELEE-KCQAQPDRSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)[C@H](NCC)[C@H]1CCC(C)(C)C1	1996611717	DUDKVSAXHARIHY-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2000055902	FFBYUGTTXXLKHE-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CC1CCC1)C1(C)CCCCCC1	2000375479	CKYDGONUIGIBRV-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCNCC(CC)(CC)CC1CCC=CCC1	2000498966	GABOCLKLVBBQJV-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@](C)(CCC(C)(F)F)CNC(C)C	2000505055	NLNVFXGPPRFLLA-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@]1(O)CC1(C)CCC1	2001144965	SKGCLKAEMSXVMJ-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@](C)(O)CCC=C(C)C)CC1	2002929016	IGXMQVQRSDCWCD-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
CC(C)C[C@H](C)CC1(N)CCCCCCCC1	2003102175	XAMXHVNBZCSFHA-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
C[C@H](CC1(O)CCCCCCCC1)C(C)(C)C	2003119128	IPXLNPVDAZWHNC-CQSZACIVSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@]1(C)C=CCCC1	2003327421	VKGPKENSLMUDBU-GOEBONIOSA-N	236.399	4.908	0	10	BJAE	
CCC(CC)(CC)CN[C@@H]1CCCC(C)=C1C	2006923177	QFUMUFVLUPXXQK-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](C)[C@@H](C=C1CCCCC1)NCC	2007939196	FPANQZXVNRKUNU-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCCC(C)C)[C@H]1CC	2009248307	HOAJLULCMXKUPE-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](CC[C@@]12CCC[C@H]1C2)NC	2011031481	QDEVTCPWMGKDEB-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H]1C[C@H](CC(C)(C)CC)CC(C)(C)C1	2012055980	GNQCLYNKRTZMCG-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@](CCC(C)C)(CNCC(C)C)C(C)C	2012413715	UHOUZHBULWGVNL-INIZCTEOSA-N	241.463	4.721	0	10	BJAE	
Cc1ccc(C)c2[nH]c(C3(C)CCCC3)cc12	2014327892	CELVNTLJPONDRZ-UHFFFAOYSA-N	227.351	4.616	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)CC(C(C)C)C(C)C	2015393694	GKLOOTWTBFOPTN-GOEBONIOSA-N	241.463	4.704	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1cc(F)cc(F)c1	2016149943	OGEYSABZFHHEQB-NSHDSACASA-N	239.309	4.512	0	10	BJAE	
CC(C)CCCCCCN[C@H](C)C1CC=CC1	2016339681	FBWFSJJMERZYCW-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)C1(C(C)(C)C)CCC1	2017132302	BZKLIGQZKHXHQN-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(C[C@H](O)CCC2CC2)CC1	2017651737	XWCBXWBEJUWYAX-AVVWSFFYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)[C@H](C)CC(C)C)CC1	2017656206	VIBXODDXSAUSHD-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)[C@H]1CC[C@H](CCC)CC1	2017663704	XHESOHDXNZMYIR-KLHDSHLOSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC)CCC[C@H]1CC[C@H](CC)CC1	2017732990	GOUUSRPUCISVEW-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@](O)(CC)C1CC(C(C)(C)C)C1	2018137861	ZNFLEWURVOQHIP-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)N(C)C1CCC(C(C)(C)C)CC1	2019405498	UBCLNPQGJYAODF-NFOMZHRRSA-N	239.447	4.712	0	10	BJAE	
CC=C(CC)[C@H](NCC)[C@@H](C)C1CCCCC1	2020966515	OPBKYDVLMDQFJQ-XJKSGUPXSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CC(N)(C[C@H]2CCCC(C)(C)C2)C1	2024094673	LXNCPLSCYHKIHW-JEYLPNPQSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](CCC2(CO)CCCC2)C1	2024121880	FXHQMPORNBDFSN-AWEZNQCLSA-N	238.415	4.536	0	10	BJAE	
C[C@H]1CCCC(=O)[C@@H]1C[C@@H](C)C1CCCCC1	2024605766	OEUWDYOUVQPIIN-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H]1CCCNC12CCCCC2	2024621691	ASFRTSLPXQZRPO-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CC1CC(CC)C1	2025434916	GFJVBXANJKOYKO-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)[C@H](C)CCC(C)C	2026166875	MXTCYUIPGDYHGJ-ARFHVFGLSA-N	241.463	4.993	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC1(C2CCCC2)CC1	2027372917	HSSAPGNXPDLWJM-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1[C@H](C)CC[C@@H](C)[C@H]1C	2027793489	MWGRQVBASAYEGQ-QQHRNGFRSA-N	249.373	4.617	0	10	BJAE	
CCCc1ccccc1[C@H](N)CCCC(C)(C)C	2027901416	LFINVVCSINYXLX-MRXNPFEDSA-N	247.426	4.855	0	10	BJAE	
CCCc1ccccc1[C@@H](O)[C@H](CCC)C(C)C	2028232734	PNADYADNDIFJLV-WBVHZDCISA-N	248.410	4.745	0	10	BJAE	
CC1(c2ccc(C(=O)C3CCCCC3)cc2)CC1	2028597049	HWMGYQBJTUNLJR-UHFFFAOYSA-N	242.362	4.501	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)c1ccc(C2CC2)cc1	2028598130	NRQMNDOSPHDAPJ-GUYCJALGSA-N	245.410	4.636	0	10	BJAE	
CCC[C@@H](C)[C@H](O)c1ccc(C2CCCC2)cc1	2031747290	VNWGYSPNTGHRJY-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)[C@H]2CC23CCC3)cc1	2032132957	SLPMJDBYDOWWQK-IUODEOHRSA-N	242.362	4.573	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2(N)CCC3(CCC3)CC2)C1	2032253792	WEXQEPOHTWAKQQ-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC(C)CC1(CNC[C@@H]2C=CCCC2)CCCC1	2035586451	BLAXLRBZXIHTFE-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)C1CC2(CC2)C1	2036200361	PDBBIKGBLYJTGN-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@H](N)CCC(C)(C)C2CC2)C1	2037162090	KSSIJFRSUNTHKT-JGGQBBKZSA-N	249.442	4.523	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@]1(N)CCC[C@H](C2CC2)C1	2037179440	MFHYXKVVANCQQT-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C2(CNC(C)(C)C)CC=CC2)C1	2037687875	VHICZUGSYZQGFE-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H]1CCC[C@H](C)CC1	2039367477	VWWBZZNUEDHASJ-ULQDDVLXSA-N	249.442	4.703	0	10	BJAE	
C[C@H](NC1CC[C@@H]2C[C@H]2CC1)C1(C)CCCCC1	2039869377	ZDRQDJVRZFPGPJ-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC2CC3(CCC3)C2)CC1	2041542733	YPBGTJLLTQYIND-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CCC([C@]2(CN)CC=CCC2)CC1	2042028644	YSFRSARCJCKTFZ-VMBOVVBDSA-N	249.442	4.524	0	10	BJAE	
CCN[C@H](C1=CCCCC1)C1CC(C(C)(C)C)C1	2043002985	RZBMAQNHIDZWDJ-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1(C)CCCCC1)[C@@H]1C=CCCC1	2043194484	MXKGYVHHVBIZJE-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC12CCC2)C1CC(C)(C)C1	2043540908	OVZVWXALDKEFIQ-DZGCQCFKSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCCN(C[C@H]2CCC=CCCC2)C1	2045307307	JDWOQIGUTKZDHF-SJORKVTESA-N	249.442	4.635	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](N)C[C@H]1CCC=CCCC1	2045329714	QDDQOVURPCHGAF-ZOBUZTSGSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@]1(C)C[C@H]1NC1CC2(CCCCCC2)C1	2046234856	GRJOZGRICVGVNT-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2046486567	QPVINVLPAPRHGF-ZSHCYNCHSA-N	243.394	4.630	0	10	BJAE	
N[C@@H](CC[C@@H]1CC12CCCCC2)CC1CCCC1	2047017875	YRCYFTVBWSYVES-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CN(C[C@@H]1CC12CCCCC2)C1(C)CCCCC1	2047031618	ZAFDYMMCJWXEEE-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@@H]2CC23CCCC3)CC1	2047053864	YSHLSZZRAPOYMM-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)c1ccc(C)o1	2048263484	KKQCGGPNVVWVMO-OAHLLOKOSA-N	247.382	4.519	0	10	BJAE	
C[C@@H](NC1CC2(CCC2)C1)[C@@H]1CCCC(C)(C)C1	2049535640	GRRDAAKPISUTHQ-ZIAGYGMSSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C2(N)CCCCCCCC2)cc1C	2049679643	YEPSNFRGGLUDPU-UHFFFAOYSA-N	245.410	4.592	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(C[C@H]2CCCC3(CC3)C2)C1	2049852458	DWNVPAKOBUXSJL-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C[C@H](N)c1ccc(C)cc1	2050424140	ACBVCHFHOZUYMK-PVAVHDDUSA-N	245.410	4.601	0	10	BJAE	
CCN[C@H](C1CCCCCC1)C1(C2CCC2)CC1	2051910288	WBQWSXAGULCYKF-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC1(CC(=O)[C@@H]2CCCCC23CC3)CCCCC1	2053356454	KKZNVLNMDMYFNA-AWEZNQCLSA-N	248.410	4.886	0	10	BJAE	
CC1(C[C@]2(CNC3CC3)CCCCC2(C)C)CC1	2053381762	HDQCMMJTMRUGNS-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCc1cc(C(F)F)c(SC)cc1Cl	2060056197	NHSIXOKXVILUHF-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C1=CC[C@@H](C)CC1	2060921376	LCCOVWWJUBONIG-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@](C)(N)C2=CCC(C)(C)CC2)C1	2061116139	NHCGZPYWFBILSU-FRFSOERESA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@H](N)[C@H]1CC[C@H](CCCCC)CC1	2061562610	GGSZMRYBBMSNFI-ULQDDVLXSA-N	249.442	4.822	0	10	BJAE	
C[C@](N)(CC[C@@]12CCC[C@@H]1C2)CC1CCCCC1	2061616485	JSNBJWDQAPURDY-IXDOHACOSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C1CC(=C2CCC2)C1	2061729823	ARTKVEITTBLTID-MLGOLLRUSA-N	246.394	4.662	0	10	BJAE	
N[C@H]1CCCCCCC[C@@H]1CC1CC(=C2CC2)C1	2061736043	BAURAGZJMPRTRY-WBVHZDCISA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC23CCC(CC2)CC3)C1	2065263093	UDNFQWGYLNVUPK-KZYLPZIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1NCCC12CCC1(CCCCCC1)CC2	2065897664	NFRBZALBEPRACR-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC[C@@H]1C(N)(C1CCCC1)C1CCCC1	2065936076	VQODOQZIBYNKTM-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1cccc(C(=O)[C@H]2CCC2(C)C)c1	2068234139	UEIASEYZJJUFBO-OAHLLOKOSA-N	244.378	4.504	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)[C@H]1CCC1(C)C	2068234484	WXGJGTYGJBSISK-CVEARBPZSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CC[C@H]1CNC1CC2(CCCCCC2)C1	2068238255	CXVFPFRVMSLHFY-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@]1(CC2C[C@H]3CC[C@@H]3C2)CCCCCN1	2068771987	PMBOBDUFDHGOKR-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@H]1CC12CCC2	2069172174	QPWQOIRABNVXAV-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC1(N)CCC2(CCCCC2)CC1	2070959938	TWILGVPGNBPNJR-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)c2cocc2C)CC1	2072802563	YVBRQCPKGIYGHZ-IIAWOOMASA-N	249.398	4.584	0	10	BJAE	
C[C@H]1C[C@@H](CC2(CCF)CC2)c2ccccc2N1	2074623631	JLNRKOZWWKTOIQ-STQMWFEESA-N	247.357	4.504	0	10	BJAE	
C[C@@H](C1CCCC1)N(C)[C@H]1CCC12CCCCC2	2075008463	KMRRWKPLMUXSQM-HOCLYGCPSA-N	249.442	4.610	0	10	BJAE	
CCCCN(C[C@]12CCCC[C@@H]1C2)C1CCCC1	2076584735	IOXRYRNBSVTORO-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CCN([C@H]1CCCC1(C)C)[C@H]1C=CCCCCC1	2078725607	UMHLANUMMDJEGW-HOTGVXAUSA-N	249.442	4.776	0	10	BJAE	
CCC1(C(=O)C[C@H]2C[C@@H]2C2CCCC2)CCCC1	2079861035	FFQSLJQJSVIQIN-HUUCEWRRSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C=C1CCC1)[C@H]1CCC[C@@H](CC)CC1	2080259499	JKBLHIDRTZWFEB-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@@H](CC2(N)[C@H]3CCC[C@H]2CC3)C1	2082977151	WWIQTNLGOXBCSC-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c(Cn2ccc3ccccc32)c1	2138354829	LYGQWSMWTHPVIT-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
C[C@H](C1CCC1)[C@@H](N)CCCCCCC1CC1	2213577277	AEMPXWQIWXMFTJ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CCCCCCC1CC1	2213583627	UPBRQUPLRVQAGT-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CCC[C@@H](C(C)(C)C)C1	2216253543	SMYJEPZSAIFTEK-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCC1CC(O)(CCCCCCCC2CC2)C1	2216882787	CMGFGWUTEJYAMP-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@@H]1CC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218342239	ZSWLZQDPSRGCRG-IBEHDNSVSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(NCCCCCCC2CC2)cc1F	2218719227	WSCNTMODAFDXAT-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCCN[C@H](CC=Cc1ccccc1)[C@@H](C)CC	2219071002	MAAUBQRUVGKFOJ-DOTOQJQBSA-N	245.410	4.504	0	10	BJAE	
CC1(CC(=O)[C@]2(C)C=CCCC2)CC2(CCC2)C1	2221088166	LESYXVURXBEOFH-MRXNPFEDSA-N	246.394	4.662	0	10	BJAE	
CCC1CCC(C[C@]2(CN)CC=C(C)CC2)CC1	2221653466	IYKYMUKWIKVODY-JCYILVPMSA-N	249.442	4.668	0	10	BJAE	
CCC1CC(N)(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1	2222970146	AXIYIFDXIYHKNV-CUQMJCILSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](N)c1ccc(C2CCC2)cc1	2223698581	SIYQEEOMHKVVSG-RCAFFNEUSA-N	243.394	4.700	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@H]2CCCCC[C@@H]2O)C1	2246733989	SJXNFFKIZRMCEG-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2=CCCCC2)CC1	2247514408	UXKWGUCRQXQQGK-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)c1csc(C2CC2)c1	2248071976	ZXCGLYFOHVOGGP-PWSUYJOCSA-N	248.391	4.635	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1C(=O)CCC[C@H]1C	2248876241	BHGMUUIZDHIOSJ-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1CC(C(C)(C)C)C1	2250355580	LQXFOWGRSXMEDX-OOJKYFRXSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC)CN[C@@]1(C)CCCC(C)(C)C1	2250377647	GRHRGDNWKCYNCM-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](F)CC(C)(C)N	2250481950	PZOIUXZDHIRYDK-ZIAGYGMSSA-N	245.426	4.695	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1=C[C@@H](N)CCC1	2250482314	SWKLIYLJVRJQMX-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)N(CC)CC[C@@H](C)CCCC(C)C	2250516081	FTBOFKLVCBUQLT-HOTGVXAUSA-N	241.463	4.959	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)CC[C@@H]1CCCCC12CC2	2253793845	OIUKUBHEUIRQEQ-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@@H](C)C1CCC1)CC2	2253866998	SEBIAFCLXYVUSK-CJNGLKHVSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@]2(C)C=CCCC2)C1	2253924121	RNYLSVPRWBRFSC-HLLBOEOZSA-N	248.410	4.908	0	10	BJAE	
CCN[C@H](CC[C@H]1CCC[C@H](C)C1)c1ccoc1	2253999871	ZPUXWEXWUDRUQW-SQWLQELKSA-N	249.398	4.537	0	10	BJAE	
CN[C@H](CCC1(C)CC1)CC1CC2(CCCC2)C1	2254121125	CEOUUKHBMLUYCD-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H](N)[C@@]12CCCC[C@H]1CCC2	2255007641	BZYYWIBRWHASIX-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)C1(CC(C)C)CC1	2255063876	OBRRFNTUFFTJHB-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CC(N)(CC[C@H]2CCCC23CC3)C1	2255333289	SCJOLANMXIXFDE-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc([C@@H](N)CCCC2(C)CC2)cc1	2256296517	BBUSGGCRXVJLPQ-INIZCTEOSA-N	245.410	4.609	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC1(N)CC(CC2CC2)C1	2257313107	CFPAPKXSJQXSPJ-MHABSNSOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCCC(=O)c1ccccc1	2257313367	VQQKTGPYEGGTQN-ZBFHGGJFSA-N	244.378	4.866	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)(C)C)c1)C1CCC1	2257869281	KQTSMDMQSLUHHW-INIZCTEOSA-N	245.410	4.975	0	10	BJAE	
Cc1cccc(CNc2cc(C)c(C)c(C)c2)c1	2258232385	BPUKWBJIJGYQLY-UHFFFAOYSA-N	239.362	4.532	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)c1ccncc1	2259602354	SIGGXUCIDUJYGI-AWEZNQCLSA-N	247.382	4.507	0	10	BJAE	
CC(C)CCC[C@H](C)CCNC1CC(=C2CC2)C1	2259683019	ZTXIKRSENGGGBV-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)[C@@]23CCC[C@@H]2C3)C1	2261263000	DYIPWFKFRPCWHB-YJJGSOMYSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C[C@H]1CC[C@H](O)C[C@H](CC)C(C)(C)C	2298125169	OEJJQRLEAUCJMM-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)CC(CC)CC	2300872579	QSJQVPYYTMKGGE-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
C[C@@H](CC1CCCCCC1)C[C@@H]1CCCCN1	2301238683	JEJLCLHXNNBGDR-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@](C)(CCC)[C@H](C)[C@@H](C)C(C)C	2301837988	CVFZMRNZKAWGHE-XHSDSOJGSA-N	241.463	4.721	0	10	BJAE	
Cc1cc(-c2c(C)cnc3ccccc23)cs1	2302249914	RNHDZMSITOYWLK-UHFFFAOYSA-N	239.343	4.580	0	10	BJAE	
Cc1cnc(CCCC2=CCCCC2)c(C)c1	2302352625	VYVZQPWBTVEMBA-UHFFFAOYSA-N	229.367	4.522	0	10	BJAE	
CCCN[C@@H](CCC)C[C@@H]1CC[C@H]1C(C)(C)C	2303472721	RAIWHRFYIUVFAJ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCc1cc2ccccc2c(Cl)c1O	2307628175	ZRDOHXPTEVOAQJ-UHFFFAOYSA-N	246.737	4.708	0	10	BJAE	
CCC[C@@H](CC)CN1CCC(C(C)(C)C)CC1	2307749754	NNOANILWDIVPSP-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CC[C@@H]3CC[C@@H]32)CC1	2308171617	MLZFENNVXRKAFN-XAJHFOFHSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2310428605	OCTMUXSXWQYHEA-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1C[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCC1	2311611238	QNFSKLJUFVJBFS-VGWMRTNUSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CCC[C@@H]3CCCC[C@H]32)C1	2311968792	FILXRPZSONQAKQ-LUKYLMHMSA-N	249.442	4.610	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@H]1C[C@@H]2CC[C@H]1C2	2312914567	FLOWCAOMFQZGHV-WCVJEAGWSA-N	246.394	4.518	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H](C)[C@H]1CC1(C)C	2315887500	NELBLEZDABAICM-DZGCQCFKSA-N	245.410	4.965	0	10	BJAE	
C[C@H]1C[C@@H]1NC(C1CCCCC1)C1CCCCC1	2316364454	NUMWCQDRLIEDNU-BBRMVZONSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@H]1CCCC12CCC2	2316502658	LKQQFDIGGSNAKO-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(=CC=C1CCCNCCC1)CCCC(C)C	2316534702	CELAYOQXIYELTM-UHFFFAOYSA-N	249.442	4.849	0	10	BJAE	
CC(=CC=C1CCC(C)(N)CC1)CCCC(C)C	2316569600	XCNNHNHPVHQYGM-UHFFFAOYSA-N	249.442	4.977	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2317017336	ZZSZKKRIDYRPEW-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C[C@@H]1CCc2ccccc2N1	2317998634	SYHBHPSXPHLBAK-YCPHGPKFSA-N	245.410	4.732	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@H]2CC(C)(C)[C@@H]2C)cc1	2318259193	PYPMJFWYKAXXES-IUODEOHRSA-N	244.378	4.675	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CCC2(CCC2)C1	2318533412	HJPPFUSDSCUXAA-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CCC[C@](N)(CCCC1=CCCCC1)C1CCC1	2318568453	LKDGWLXSOHFFBN-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
CC1(C)CC[C@@H](CCC[C@@H](O)c2ccccc2)C1	2319310197	AXOUACAHKCOVPW-GDBMZVCRSA-N	246.394	4.717	0	10	BJAE	
CC1(C)CC[C@H](C[C@]2(N)CC[C@@H]3CCCC[C@@H]32)C1	2319326003	KROPDRZLMCBQHC-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C[C@@H]2CC[C@H]2C2CC2)C1	2319488687	DLJHDWGLLCRZEY-ZFWWWQNUSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1CC[C@@H]1C(C)(C)C	2320255047	UCWRPXIKYOIVOU-CABCVRRESA-N	246.394	4.755	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@]2(O)CCCC23CCC3)CC1	2320339375	DFLDFNBXNSUOKT-WBVHZDCISA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@H]2C[C@H]2C(C)(C)C)CC1	2320340034	IRHJFFYKZLQVNC-QXSJWSMHSA-N	249.442	4.523	0	10	BJAE	
CCC[C@@H](C)[C@]1(CNC2CC2)CCC(C)=C(C)C1	2320396891	KHHOWZTUFBKQOU-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
N[C@@H](C1CCCCCCC1)[C@@H](CC1CC1)C1CC1	2320814348	SOHCCFSARVEIQW-IRXDYDNUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2C[C@@H]2C2CCC2)C1	2321646398	WXLJEERUSOKPHQ-NWANDNLSSA-N	248.410	4.598	0	10	BJAE	
CC1=C[C@H]2C(=C(C)CC[C@@H]2C(C)C)CC1	968236	FUCYIEXQVQJBKY-UKRRQHHQSA-N	204.357	4.725	0	10	BJAE	endogenous,in-man
CN1c2ccccc2Sc2ccc(Cl)cc21	985370	AMSRWDACZRKLQG-UHFFFAOYSA-N	247.750	4.573	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)c2cccs2)c1	19952763	LBYBFAIBMFBWIA-LBPRGKRZSA-N	231.364	4.538	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2cc(Cl)ccc2C)C1	70747521	KTVLBYXBLLCQFC-AAEUAGOBSA-N	237.774	4.639	0	10	BJAE	
CCC[C@@H](CC)N[C@H]1CCCC(C)(C)CC1	83435734	CVQMBFMGFTWEIM-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCCCCC[C@@]1(O)CCC[C@H](CC)CC1	83520423	OUXBOMXCUDDKSH-LSDHHAIUSA-N	226.404	4.678	0	10	BJAE	
CC(C)CC[C@]1(O)CCCC[C@@H]1c1ccccc1	87164413	UOVJHXFVDQUAAV-IAGOWNOFSA-N	246.394	4.512	0	10	BJAE	
CCCC1CCC(C(=O)c2ccccc2F)CC1	87959687	QOKFCBLLAIEWLH-UHFFFAOYSA-N	248.341	4.615	0	10	BJAE	
CCCC1CCC([C@@H](N)C[C@H](C)CCC)CC1	87962969	XHESOHDXNZMYIR-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
Cc1ccc([C@@H](C)Nc2ccccc2C)cc1F	94836614	JDHQQZWTTAWKNV-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
C/C=C\C[C@H](CC)c1ccccc1Cl	107496351	PIWGNTBVWZOORW-MZBZXASESA-N	208.732	4.800	0	10	BJAE	
CC/C=C\C[C@H](C)c1cccc(Cl)c1	107498665	OABMNFGOOAAHBF-WYGGZMRJSA-N	208.732	4.800	0	10	BJAE	
CCC(C)(C)C1CCC(N)(CCC(C)C)CC1	109702474	BCGDPWWDQXLKCL-UHFFFAOYSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)CNc1ccc(-c2ccccc2)cc1	109860039	BSSTXFDLRZGPGB-UHFFFAOYSA-N	239.362	4.812	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CNC(C)C)C(C)C	110185557	HTZMGDUCYQXHHE-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)C(C)(C)CC	126144951	AQIMFXOMMHXXEE-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)C[C@H](O)C1CCCCCCC1	128015786	DQIMMLFDMGVUPU-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)C(=O)c1cccc2ccccc12	143102535	UBNQHGCVQVZDIH-ZDUSSCGKSA-N	240.346	4.849	0	10	BJAE	
CCCCCCc1ccc2c(c1)CCCC2	144721871	XEERAPSBBRYSRL-UHFFFAOYSA-N	216.368	4.688	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1CCC[C@@H]1CNC(C)(C)C	155445404	VUVSYXUEVJWVPT-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCN[C@@H](C)c1ccc(C(C)(C)C)cc1	161685368	RZTZLZCBVGQCHD-UZYOAWRESA-N	245.410	4.601	0	10	BJAE	
O[C@H](CC1CCCCCC1)C1=CCCCCC1	162147393	VYFODWSTEHIGQM-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2ccc(C)cc2F)C1	166310415	OPTSCRDUQPIASA-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
CCC[C@@](C)(CNCC(C)C)C1CCCCC1	168023567	YWTDIAZZLHOQQM-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
Cc1cc(C)c([C@H](N)C[C@H](C)C(C)(C)C)cc1C	168670185	UMSSYDGPKMFCGC-GOEBONIOSA-N	247.426	4.684	0	10	BJAE	
CCCC[C@@H](CCC)NC1CCC(C)CC1	225998547	WBDGUMPZZZKGOQ-SHARSMKWSA-N	225.420	4.514	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H]2CCC[C@H]2C)c1C	226523928	NJQMFPACGMJDOW-MEBBXXQBSA-N	244.378	4.539	0	10	BJAE	
CCCN[C@H](c1ccoc1)[C@H]1CCC[C@@H](CC)C1	227006879	MYGKNINKYWNXJH-YCPHGPKFSA-N	249.398	4.537	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@@H](C)C1)c1ccccc1	227184038	ASKRKQCLGCLWTE-HLLBOEOZSA-N	245.410	4.554	0	10	BJAE	
CCC(CC)CC(=O)[C@H](CC)c1ccccc1	229445056	FOBLBOAVLNOWSW-OAHLLOKOSA-N	232.367	4.576	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1sccc1C	238221360	LEYKYHXLOMSLRG-NNNHXZLVSA-N	208.370	4.906	0	10	BJAE	
CCCc1ccc(N[C@@H]2C[C@@H](C)CC[C@H]2C)cc1	249719930	DGXWXNQUURMRTA-JJRVBVJISA-N	245.410	4.876	0	10	BJAE	
CC[C@]1(C)Nc2cc(Cl)ccc2[C@@H](C)[C@@H]1C	258080424	HIPOMCBDXBVEAE-BHDSKKPTSA-N	237.774	4.674	0	10	BJAE	
CC[C@]1(C)Nc2ccc(Cl)cc2[C@H](C)[C@@H]1C	258119706	JMDDEOQLKLXSLV-BFVZDQMLSA-N	237.774	4.674	0	10	BJAE	
CC(C)(C)[C@H]1c2cc(Cl)ccc2CC[C@@H]1C#N	260586655	MGLRFFVJXONXBF-BXUZGUMPSA-N	247.769	4.556	0	10	BJAE	
C[C@@H]1CC[C@H](c2ccc3c(c2)NCCC3)C[C@H]1C	300116271	MKSRGPZOXYYAQJ-NFAWXSAZSA-N	243.394	4.584	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](c2ccc3c(c2)CCCN3)C1	300117302	SNJRALVQDJNBBG-VIKVFOODSA-N	243.394	4.584	0	10	BJAE	
CCc1ccc([C@H](O)CCCC(C)(C)C)s1	300786143	BXXZQLMOLFDXPU-GFCCVEGCSA-N	240.412	4.560	0	10	BJAE	
CC(C)(C)CCCCC[C@@H](O)c1ccccc1	302307875	OGVWOQWXQZOQQL-OAHLLOKOSA-N	234.383	4.717	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H](N)C1(CC(C)C)CCCC1	302574536	PXQHTBDURWMDQV-HUUCEWRRSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CC1(CC)CCC1	308056622	OWIAGSQVVBNRRW-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
Cc1c(Cl)cccc1-c1cccc(F)c1F	309337876	CAWJFUODXWNOFV-UHFFFAOYSA-N	238.664	4.594	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CC1(CC)CCC1	309373610	QNFOMGMFPASOPH-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](O)C(C)(C)C(C)(C)C	310374882	ZFZVZHMUKSYNSO-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
C[C@@H](C[C@](C)(O)CC1CCC1)C1CCCCC1	310470872	IIDFDMQXXCJMAI-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)([C@H]2C=CCCCCC2)C1	310698516	BWOHXPSSBVGXSO-IKGGRYGDSA-N	249.442	4.668	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1	310891954	YJVRBTWFXMBLJT-JSQNDZKTSA-N	243.394	4.801	0	10	BJAE	
CCCNC[C@](C)(CC)[C@H]1CCCC[C@@H]1CC	317498260	FZSCMDQPBODWSI-JYJNAYRXSA-N	239.447	4.619	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCC2)CCC[C@H](CC)C1	317539142	ATONCYBIKIJWIR-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCC(CC)[C@]1(CNC(C)(C)C)CC[C@@H](C)C1	317846878	NODDXDJSOLAPPH-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(CNC(C)(C)C)CCC[C@H](CC)C1	317951562	IERARZKXGMBJQG-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@]1(CNC2CC2)CC[C@@H](C)C1	319127959	BMRUYPLGVWVEFP-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](N[C@H](C)c1cccc(C)c1)C1CCCC1	382814253	WLSIRNAJSPTNAT-RHSMWYFYSA-N	245.410	4.614	0	10	BJAE	
CC(C)CC1([C@H](O)CC2(C)CCC2)CCCC1	383655025	ICSGEFHSRXQTCL-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](NCCC1(C)CCCC1)C1CCCC1	387562041	YDHBDRCYUWFJMZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCc1cc(N[C@@H](CC)C2CCCC2)ccc1C	387716781	ZZXDESUUKVHMAW-KRWDZBQOSA-N	245.410	4.938	0	10	BJAE	
CC(C)CCCCCN[C@@H]1CCCCC1(C)C	394730118	GQLSBUSAINCCIA-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCc1cc(S)cc2sc(C(F)F)cc12	396241884	MAMZZXISCSSIKY-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CSc1cc2c(C(F)F)csc2cc1C	396401422	FKVDWGBJJNKCQN-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCC[C@H](Nc1ccc(C)c(C)c1)[C@@H]1CC1(C)C	397634293	VOLJWBCGXNIEKV-HOTGVXAUSA-N	245.410	4.930	0	10	BJAE	
C[C@H](C[C@H](N)C[C@@H](C)C1CCC1)CC(C)(C)C	398727379	RQHHINIHBRIRBP-NFAWXSAZSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1ccccc1NC[C@H](C)C1CCC1	398823107	DWYNNFDLDLGMLO-ZDUSSCGKSA-N	231.383	4.658	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	403689451	RTNAXGXXYJGYBQ-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)[C@H](NC)c1coc2ccccc12	404289962	KGUCTARVWGODNS-WBMJQRKESA-N	245.366	4.520	0	10	BJAE	
O[C@@H](CCCC1CC1)c1ccc2sccc2c1	405986889	FHALBAUFVFHVAE-AWEZNQCLSA-N	246.375	4.515	0	10	BJAE	
CCCC[C@@H](CCC)NCC1(CCC)CC1	687550904	UVKHNTDBORQKAP-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CCC1CCC(C(=O)CCCC2CCC2)CC1	688836114	JYJTVFRGHXZCGH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC)CCc1cccc(C(C)C)c1	688929667	YLXLYXQQHDRMCQ-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CCSc1cccc(N[C@@H]2CCC(C)(C)C2)c1	689702885	CEVADHZNWLCKFN-CYBMUJFWSA-N	249.423	4.789	0	10	BJAE	
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CC(C)c1cccc(C(=O)[C@@H]2C[C@H]2C(C)(C)C)c1	699838834	WCCRAGTZBMIQRW-HUUCEWRRSA-N	244.378	4.675	0	10	BJAE	
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NC[C@H]1CC12CCC(CCC1CCCCC1)CC2	2040470998	DRSLRAROQMWCQJ-AQFXKWCLSA-N	249.442	4.502	0	10	BJAE	
C[C@H](N[C@H](C)c1ccoc1)C1CCC(C)(C)CC1	2040648317	SNJFPMQZMLHLTQ-QWHCGFSZSA-N	249.398	4.535	0	10	BJAE	
CC(=CC1CC(C(C)(C)C)C1)c1ccc(N)cc1	2043002077	WHXOWQKNRMKHAF-UHFFFAOYSA-N	243.394	4.744	0	10	BJAE	
CN[C@H](CC1CCC(C)(C)CC1)[C@@H]1C=CCCC1	2043189364	ALDAIVWENOLUGK-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CC1([C@@H](N)C[C@H]2CCC=CCCC2)CCCCC1	2045316377	CZKBHMHAOGNCJX-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC(C)C1([C@@H](N)C[C@@H]2CCC=CCCC2)CCC1	2045316966	IINTWDJBMFFUJJ-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@@H]1C(C)=CCC[C@H]1C	2045805797	ITCHIMHTUPUZGZ-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C[C@@H]2CC23CCCCC3)C1	2047055608	MGILCWWLEFMTRN-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)C[C@@H]1CCC12CCC2	2047930443	ANNRVHZJSWZQCK-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CCC12CCC2)CC1(C)CC1	2048883842	YQEZVJPRJKPXPF-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@@]1(C)C=CCCC1	2049996237	FPIYKHRVYDMFLS-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C12CCC(CC1)C2(C)C	2051409227	PGCOVBNJKNZDAX-CKDBGZEDSA-N	249.442	4.537	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@@H]3CC[C@H]32)CCCCCC1	2052307891	KCAAJDHMLKAOSW-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@H]1CCCCC12CC2	2053412683	QCGCPRFKODIGIM-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NCC2CC(C3CCC3)C2)c(C)c1	2056727357	HREYTJSPDOMQAB-UHFFFAOYSA-N	243.394	4.542	0	10	BJAE	
CCC[C@@](N)(C1=CC[C@@H](C(C)(C)C)CC1)C1CC1	2061114063	VESPVXFVQRXLAK-CXAGYDPISA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)CC2CCCCCC2)CC1	2061150687	NEKBASZRXXSCQE-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
CC1([C@H](N)CC[C@]23CCC[C@H]2C3)CCCCCC1	2061574377	GUMSUCHGBCWMMO-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1CC(C(=O)CC[C@@]23CCC[C@H]2C3)C1	2061613377	SANLHRUIGOXPGA-ICEJCHNJSA-N	248.410	4.598	0	10	BJAE	
CC(C)NC[C@@H](C)[C@@H](C)CC1CC(=C2CCC2)C1	2061670003	ZYTCNCXZLDOJCL-UONOGXRCSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(=O)C1CC(=C2CC2)C1)C1CCCCC1	2061734295	LVNQRKRJPQDYJE-GFCCVEGCSA-N	246.394	4.662	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@@]1(N)CCCCCC12CC2	2062008515	FGLHYYBVJQUZGN-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc(NCC2C[C@H]3CCC[C@@H]3C2)c1	2063471750	OPBDKOBDRLYXFC-HZPDHXFCSA-N	243.394	4.542	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2C[C@@H](N)CC3(CCC3)C2)C1	2063642283	POFFATGOQSHENU-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)C2CC(CC3CC3)C2)CCC1	2069341945	KBPATOHTYFYLKS-GPANFISMSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)n1nc(C2CCCCC2)cc1Cl	2070100193	ZGFCWIJIHRJGET-JTQLQIEISA-N	240.778	4.555	0	10	BJAE	
C[C@@H]1C[C@@]1(C)CC1(N)CCC2(CCCCC2)CC1	2070959936	TWILGVPGNBPNJR-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
Cc1coc(C)c1[C@@H](N)CC1(C(C)(C)C)CCC1	2071943994	SFUIDYRSAHDCCN-ZDUSSCGKSA-N	249.398	4.503	0	10	BJAE	
Cc1cc([C@H](N)CC2(C(C)(C)C)CCC2)oc1C	2071953796	PGSDQTKKPVOITI-CYBMUJFWSA-N	249.398	4.503	0	10	BJAE	
Cc1ccc([C@@H](N)CC2(C(C)C)CCC2)cc1C	2071956445	OZIVAJOMJZVPKS-INIZCTEOSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@H](CC(C)=C(C)C)c1ccc(C)cc1	2072417150	LZDUXWNTPGSUEM-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)C[C@H]1CC[C@H](C)CC1	2072793364	JMSFORJJQLKGBD-JVNPIMRCSA-N	249.442	4.523	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccc(COC)cc1	2073348433	YBXNZECVEMKVRP-HNNXBMFYSA-N	249.398	4.604	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@@]12CCCC[C@@H]1C2	2074034658	RXYHUZKAHLZURP-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@@]23CCCC[C@H]2C3)CC1	2074091800	SGWVAXDVMCQWII-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
C1CCC(CCN2CC[C@H]2C2CCCCC2)CC1	2074889310	QPKYUHFNCNAVFV-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CN(C[C@H]1CC=CCC1)[C@H]1CCCC(C)(C)CC1	2075168273	PUZMUTPKUMKACY-HOTGVXAUSA-N	249.442	4.633	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccccc2C2CCC2)C1	2077263729	CHGBNIGPWCVPJS-DZGCQCFKSA-N	243.394	4.945	0	10	BJAE	
C[C@@H]1CC[C@H](CC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1	2079491990	NJEYTDUZCUBDCA-OCVGTWLNSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc2c1ccn2C[C@H]1C[C@@H]1C(C)(C)C	2079819512	NQCMZPNMUFRYKU-HIFRSBDPSA-N	241.378	4.632	0	10	BJAE	
CC1CC(CC(=O)C[C@H]2C[C@H]2C2CCCCC2)C1	2079841513	JHVJYMIJVNQXNP-ITMHDFIRSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@@H]2C[C@@H]2C2CCCC2)C1	2079842466	OEVBVWHDIOOPPR-UONOGXRCSA-N	248.410	4.598	0	10	BJAE	
OC1(C=C2CCC2)CCC2(CCCCCC2)CC1	2080122363	HHTBMEYDHROYFH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)c1cccc([C@H]2CCCCC(=O)C2)c1	2083550837	RMUDVLKSLQMLKB-AWEZNQCLSA-N	244.378	4.601	0	10	BJAE	
CC1(C[C@@H]2CCCNC23CCCCC3)CCCC1	2083812437	OLUOOBWEIRJXSZ-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1C[C@H]2CCC[C@H]1C2	2086157738	IPDIAWZDLCRAMB-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
Cc1csc([C@H](N)CCCC(C)(C)C)c1C	2210565222	UEWFLIMZHGUBCC-GFCCVEGCSA-N	239.428	4.581	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC)C(C)(C)CCC	2212117203	NRSGXCTUGMENDD-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@]1(CCCCCCC2CC2)CCCCCN1	2213574827	YRKCYPSPQNIPOT-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CC1([C@@H](O)CCCCCCC2CC2)CCCC1	2213575790	JHFLCVIBCIXYAV-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CC(C)C1([C@H](N)CCCCCCC2CC2)CC1	2213577076	XRSYACCZMDWQAQ-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CCCCC2CC2)C1	2214586731	XJWSVIFKADVVSK-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@]1(O)CCCC(C)(C)CC1	2215236272	IKXRUSWJVKPKAS-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@@]1(O)CCC[C@H](C(C)(C)C)C1	2216252454	KFMRMFAYSJIITC-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
C[C@@H]1C[C@](O)(CCCCCCCC2CC2)[C@@H]1C	2216894347	GJZMMEZOHQHSNQ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)NC[C@](C)(CCC(C)(C)C)C1CC1	2217146069	VXVDWYWFMZABMV-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@H](NCCC)C1C[C@H]2CCC[C@H](C1)C2	2218347049	VNTZPNLEOVRVJW-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@@H](N)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218351698	QROKKJNORZGYAY-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CCCCCCC1CC1)C1(C2CC2)CC1	2218732920	SKBNPOPNDXDZBR-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CC(=C2CCC2)C1)C1CCCCC1	2220289322	WBCPLETZZCDYNW-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1ccnc(C(C)C)c1	2220857401	WWXOYUXETXEHSN-CYBMUJFWSA-N	247.382	4.604	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)[C@@]12CCCC[C@H]1CCC2	2220878398	REDDJYVDLUSVLT-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H](N)c1ccccc1C(C)C	2220880248	RITRUWQIOYWPRH-JKIFEVAISA-N	245.410	4.636	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@]1(C)CC=C(C)CC1	2221615014	XLFZOIHXUNLAEQ-IRXDYDNUSA-N	249.442	4.847	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)CC2CC(C(C)C)C2)CC1	2221621074	CPRSFTXSNZAGCH-GQGLESIBSA-N	249.442	4.523	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2C=CCCCCC2)CC1	2221638853	VCAVUEMGUMSAPZ-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CC2[C@@H]3CCCC[C@@H]23)CC1	2221642744	IVZBBMMNARBEJF-CPUCHLNUSA-N	246.394	4.518	0	10	BJAE	
C(CCCN[C@@H]1C[C@@H]2CC[C@@H]2C1)CCCC1CC1	2223117933	LIMSVXIVXIHZTD-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
NC[C@H]1CCCCC1=CCCCCCCC1CC1	2223132491	KOPVIFDYYNJMPW-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CCCCC2)C=CCCC1	2223541123	FVWGIDSUIXLBJL-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H](C)c1ccc(C)cc1	2223963138	DMPRUTOKUFLRIC-CQSZACIVSA-N	246.394	4.884	0	10	BJAE	
CC[C@@H](CCC[C@@H](C)CCCC(C)C)NC	2244844520	BINCOCBKVIEQGK-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](N)CCCCC[C@@H]1C[C@H]1C	2248809366	VBAJMSFTFDHMCC-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)c1cccc(NCc2ccsc2)c1	2249313968	WKBMHCXSWAPMSH-UHFFFAOYSA-N	245.391	4.658	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(N)C[C@@H](C)[C@H]1C	2250513006	CPXPVRPHIDLCJW-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCCC[C@H]1NCC1CC2(CCCC2)C1	2254083745	HRMBYQJEBVHWPK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]2CCC[C@H]2N1CCCCCCC1CC1	2254252573	SZQZRGVGOATVKP-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C2CC3(CC(C)C3)C2)CC1	2254486499	DSKSLXUIWFJEEY-GCKGNEMBSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)C[C@@H]1CCC12CCC2	2254968346	KDJSKBQPNSBAEA-KKUMJFAQSA-N	248.410	4.598	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@H]1CCC12CCC2	2255016942	WBLAKHLJYGOCME-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)cc(OCC[C@H]2CCCC23CC3)c1	2255311355	TYCSBMPDKUIPCG-OAHLLOKOSA-N	244.378	4.653	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@](C)(N)[C@@H]2CC23CCC3)CC1	2256490430	RTXJTIKHIFSJRM-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@H](N)[C@]23CCC[C@H]2CC3)CC1	2260486716	DBBNPKKBILNRFK-YOTSKQKMSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@]23CCC[C@@H]2CC3)C1	2260515436	HAVNSELZSOCGPZ-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
CCc1ccc(NC[C@]23CCC[C@H]2CC3)cc1C	2260592468	QNDWVRHVVZUPNI-DOTOQJQBSA-N	243.394	4.550	0	10	BJAE	
Cc1cc(NC[C@]23CCC[C@H]2CC3)cc(C)c1C	2260622717	MVXSPPOKAFSEGZ-DOTOQJQBSA-N	243.394	4.604	0	10	BJAE	
CC(C)CC[C@](N)(C[C@]12CCC[C@H]1CC2)C1CC1	2260667776	DBQOHYXQULAIJS-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC(=O)CC1CCCCC1)CC1CCC1	2298885976	WLBBDUAOBLNBGB-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CC[C@](C)(CNC(C)C)C1CC1	2300677217	XLAOPZOIGKQMDQ-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC(=CCC(=O)[C@H]1[C@@H](C)[C@H]1C)CCCC(C)C	2300882761	XOOVFYLJWGLDBS-MIFYACCESA-N	236.399	4.620	0	10	BJAE	
CC(=CC[C@](C)(CO)C(C)C)CCCC(C)C	2300894182	DEWZSILZHYDVPW-MRXNPFEDSA-N	240.431	4.804	0	10	BJAE	
CC=CC[C@H](CCC1CCCCC1)NCCC	2300903421	DRRWTICYPUHLQO-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)[C@H](O)CC=C(C)CCCC(C)C	2300937907	SNRUSKCOWGQCOG-MRXNPFEDSA-N	240.431	4.946	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)C[C@@H](C)CC(C)(C)C	2301906601	BCCXGIZASMCZQF-MGPQQGTHSA-N	240.431	4.946	0	10	BJAE	
C[C@H]1CC[C@@H](CCCC2=CCCCC2)C(=O)C1	2302302431	ZVEAZISCNHHXJA-DZGCQCFKSA-N	234.383	4.662	0	10	BJAE	
CCC[C@H](CC)N(C)CC[C@H]1CCC(C)(C)C1	2304438848	FMUPONGAQSSPFX-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C1CCC2(CC1)CC2	2307835563	RJJWUPPIPULWJP-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](N[C@H]2C[C@@H]3CCCCCC[C@@H]32)C1	2309185408	WZEGTIIZHQZNFU-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@@]12CCCC[C@@H]1C2	2311131912	UIONDJRMTNONJA-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	2313643751	ZVKMXJIKMIJZHP-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CCc1cc([C@H](O)CCC2CCCC2)ccc1C	2314703368	WFFZVRRFEORFFF-QGZVFWFLSA-N	246.394	4.561	0	10	BJAE	
CCN[C@H](CC=C(C)CC)c1ccc(C)c(C)c1	2316503031	NMXRPSJNFLHZAX-QGZVFWFLSA-N	245.410	4.700	0	10	BJAE	
CCC(C)=CC[C@H](N)[C@@H]1CC[C@H]2CCCC[C@H]2C1	2316539325	IYFFLVYDKWBVNY-TWMKSMIVSA-N	249.442	4.667	0	10	BJAE	
O=C1CCCCC[C@@H]1C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317148761	PHQFFTACUOCUFU-KLHDSHLOSA-N	246.394	4.518	0	10	BJAE	
CC(C)[C@@H]1CC[C@@](N)(CCCC2=CCCCC2)C1	2318539593	PFDODGDYCSINLM-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
N[C@H](CCCC1=CCCCC1)[C@]12CCC[C@@H]1CC2	2318586431	JRLIHAJZSUTYSI-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)[C@@]12CCC[C@@H]1CC2	2318594801	JRLIHAJZSUTYSI-IXDOHACOSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C[C@@H]1CC12CCCCC2	2318943576	HPSDPCLXIUTMFU-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)C23CCC(CC2)CC3)C1	2319124818	XCRWZQOSXPBFEU-DGNOSDGRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2CC(=O)CC3(CCC3)C2)C1	2319134161	GWLJVOKBJWWCGV-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@H]1CC[C@@H]1C1CC1	2319592360	QZCSRLMVSRSUQY-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(C2CC(CC)C2)CCC(C)=C(C)C1	2320265451	JHOUPSKBMRUROO-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@@H]2C(C)(C)C)CC1	2320413286	MXRJBVQWXGLPGZ-KFWWJZLASA-N	248.410	4.764	0	10	BJAE	
CC[C@H](C)NCC1([C@H]2CCC[C@H](C)C2)CC=CC1	2326699014	JDFKQZKRHLJKBI-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC(C)(C)C2)c1F	2327767386	QKRBSVJKEMXTAL-GFCCVEGCSA-N	249.373	4.940	0	10	BJAE	
CCC[C@H](CC)CC(=O)Cc1cc(C)cc(C)c1	2328104703	LCOBHSSDVKJJLM-HNNXBMFYSA-N	246.394	4.631	0	10	BJAE	
CCCc1ccc([C@@H](N)C[C@@H](CC)CCC)cc1	2328276532	RBOUAFSTYZSCNS-YOEHRIQHSA-N	247.426	4.855	0	10	BJAE	
Clc1cccc2cc(-c3cccs3)[nH]c12	1517206	GKJRORYKLSTWHB-UHFFFAOYSA-N	233.723	4.550	0	10	BJAE	
CCCCc1ccc([C@H](N)CC2CCCC2)cc1	21509014	REQSHVNMJYBDDF-QGZVFWFLSA-N	245.410	4.609	0	10	BJAE	
CCCCN[C@@H]1CCCC[C@@H]1C1CCCCC1	34994624	NRRPKUKNWVKCMA-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@H](Nc1cccc(F)c1)c1cccs1	37202647	OZQLVFPRITVHPX-AWEZNQCLSA-N	249.354	4.696	0	10	BJAE	
C1CCC([C@@H]2CCCC[C@H]2NCC2CCC2)CC1	37253691	WTOLJCWHFHZSPA-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](NCCC)c1cccc(Cl)c1	38813641	BPKXRKDHMBAKHM-AWEZNQCLSA-N	239.790	4.571	0	10	BJAE	
CCC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C	43065376	ADMPJHVEGSQTCU-UHFFFAOYSA-N	244.378	4.628	0	10	BJAE	
CCC[C@H](NC[C@@H]1CC=CCC1)c1cccs1	49541293	NZXPBJWVWZFYGT-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CC[C@H](C)c1cc(C)cc([C@H](C)CC)c1N	60068466	MYBXGLCXFBYDST-TXEJJXNPSA-N	219.372	4.604	0	10	BJAE	
CCCC[C@@H](C)N[C@H](CC)C1CCCCC1	71106471	CWHLIAQEHYQLPL-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2c(C)cc(C)cc2C)C1	80457194	XUTOYBZWRJOTBZ-GJZGRUSLSA-N	231.383	4.602	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CC(C)(C)C)NC	82674342	VWPLPPVXLGOWFH-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)C[C@@H](C)NCC	82810588	WRYCZDVAGKIJKR-KFWWJZLASA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CC)CC[C@H]1CCCC[C@@H]1CC	83825580	FEBWWHBEKRJTHL-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CSc1ccc(NC2C[C@@H](C)C[C@H](C)C2)cc1	84461947	RBNUQUWBUXXAGP-RYUDHWBXSA-N	249.423	4.645	0	10	BJAE	
CCC1CCC([C@]2(N)CCC[C@@H](CC)C2)CC1	85078576	ZYELESITSMYKFW-KNIAUWFNSA-N	237.431	4.501	0	10	BJAE	
CCc1ccccc1O[C@H]1CCC[C@H](CC)C1	85151185	OIYFGMQBQNFCCS-ZFWWWQNUSA-N	232.367	4.597	0	10	BJAE	
CCCCc1ccc(N[C@H](CC)C2CC2)cc1	86116122	NHPMUEVDCVIRDF-MRXNPFEDSA-N	231.383	4.630	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(F)c(C)c2)CC1	86908476	DYAUAWOMPFLHNX-KGLIPLIRSA-N	249.373	4.905	0	10	BJAE	
CCCC[C@H](C)N[C@H](C)c1ccc(C)cc1C	109902399	PYFQLXKDMYOQOF-LSDHHAIUSA-N	233.399	4.533	0	10	BJAE	
CCC[C@@H](C)CNc1cccc(O[C@@H](C)CC)c1	109948709	SXNFJVZIYGYRFR-KGLIPLIRSA-N	249.398	4.712	0	10	BJAE	
CCC[C@@H](C)CC1(CNC2CC2)CCCCC1	110200614	JKRMRTWHAAIQJS-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](NCCC)C1=CCCC1	110230255	DJHFPVKNEBSZIU-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
C[C@]12CCC[C@@H]1[C@@H]1CCc3ccccc3[C@@H]1CC2	111466175	HLCRYAZDZCJZFG-BSDSXHPESA-N	240.390	4.933	0	10	BJAE	
CCCN[C@H]1CCC[C@H](CC2CCCCC2)C1	203527946	HWSFDSZKQKCSOC-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](NCC)[C@H](CC)c1ccc(CC)cc1	212615020	SKCKBUGQVVRSJO-IAGOWNOFSA-N	247.426	4.521	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](CCC)c1ccccc1	212686512	QMOHCHJLNJXMFC-SJORKVTESA-N	247.426	4.739	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CCC[C@@H](C)[C@@H]1C	219093461	MSSALMJFFXFOET-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](N)[C@H]1CCCCC1(C)C	226818970	FMSHYZIXSFDWBT-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC[C@]1(O)CCC[C@H](CC(C)C)C1	230783246	DMWRRIMMGKOAGB-CVEARBPZSA-N	240.431	4.780	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)C1CCCCCC1	236537396	HKZNHIOAPVPTKG-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
c1ccc(NC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1	250544300	YIVYCYVFMKBGGE-PMPSAXMXSA-N	243.394	4.705	0	10	BJAE	
CCCCCC[C@@H]1C[C@@H](CCC)CC[C@H]1O	250843554	ZFFYLOJEOBZPAH-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CCC[C@H](CC(C)C)C1	300310000	QRBSRICCJUVARJ-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)c1coc2ccccc12	300469669	SJHXKBFHECQQJM-WBMJQRKESA-N	245.366	4.520	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)c1coc(C)c1	302251572	KUFVESXAMTYSDN-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CC(C)C[C@H](C)C(C)(C)[C@H]1CC[C@H](C)CC1=O	304580196	YHZQSYPVMWEOLT-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
CCC1CCC([C@@H](O)[C@H](CC)CC(C)C)CC1	308010133	ABZJPORCJMNDIY-KNIAUWFNSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C1CCCCC1	308100682	DOAIXULVCNYIPS-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CC[C@H]1Nc1cccc(Cl)c1Cl	308798988	KGYPFXLPUSWGMN-SNVBAGLBSA-N	244.165	4.594	0	10	BJAE	
C[C@H]1CC(n2ccc3ccccc32)C[C@H](C)C1	309942193	LIPZVCVKBLVCDM-CHWSQXEVSA-N	227.351	4.639	0	10	BJAE	
C[C@@H]1CCCC[C@]1(O)CC1CCC(C)(C)CC1	310187590	XYWJGELWQPEMRX-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC1(C[C@H](NC)c2c(C)cccc2C)CCC1	311006426	WIBLMYUPIXODCJ-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCCCC2)CCC[C@@H]1C	317724176	KDPAXKQVOWSQFW-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C(C)(C)C2CCC2)C1	322979246	OWACQSIEFLEWER-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCCCCC(C)C)c1	383373496	KDPZBCWKERIEMY-QGZVFWFLSA-N	247.426	4.910	0	10	BJAE	
O=C(CCC1=CCCCC1)CC1=CCCCC1	384882551	VEBUMNGCGNNLSR-UHFFFAOYSA-N	232.367	4.727	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2CCC[C@@H]2C)n1	385087339	XKNLWFYSVRXPJL-DCAQKATOSA-N	223.385	4.560	0	10	BJAE	
Cc1ccc2c(ccn2CC2CCC(C)CC2)c1	385160920	CFSHHHFHAXHUFU-UHFFFAOYSA-N	241.378	4.776	0	10	BJAE	
Cc1cscc1N[C@H]1CCCC[C@@H]1C(C)C	387359377	UKRSAEDGISKLFS-OLZOCXBDSA-N	237.412	4.683	0	10	BJAE	
CCc1ccc2c(C(F)F)csc2c1CC	396168509	NEGLASSMHPDOTK-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
CC(C)CCCNc1ccc2c(c1)CCCCC2	404630227	GGQGTSNUAICBPB-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
Cc1c(F)cccc1C(=O)CCC(C)(C)C1CC1	405698466	AFKFNCWVJKJILJ-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)CC(C)(C)C2CC2)C1	405750501	COCJFWFHXNLQCS-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCCNCC/C=C(/C)CCC(C)(C)C1CC1	405953228	HZRZEJJHNLVTJD-AUWJEWJLSA-N	237.431	4.539	0	10	BJAE	
CC(C)(CC[C@@H](O)C(C)(C)C(C)(C)C)C1CC1	405978905	BZYJPCWRXLHCDI-CYBMUJFWSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@H]1CC2CCC1CC2	691751757	ZQIWHKREJPHSFG-YWWDTZIBSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@@H]2C2CC2)c(C)c1	696103572	IBNVXQKECCZRLT-NVXWUHKLSA-N	243.394	4.684	0	10	BJAE	
O[C@H](C1=CCCCCCC1)[C@@H]1CCCC2(CC2)C1	696495560	LJTWBPQYSPBOGY-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
CC(C)=CCCCc1c(F)cccc1Cl	698102583	BJABYQBSGKBUPV-UHFFFAOYSA-N	226.722	4.768	0	10	BJAE	
CC(C)c1ccc([C@@H](C)NCCC2(C)CC2)cc1	700433961	FSNYODYEALSCDL-CQSZACIVSA-N	245.410	4.651	0	10	BJAE	
CCC(C)(CC)CC[C@@H](NC)c1ccccc1	701153994	SUWPMLYECCAFRO-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
Cc1ccccc1COc1cccc(Cl)c1C	702644039	KKECGCZKIRCENB-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC(C)CCCCNc1ccc(Cl)cc1	703967644	BXVXEYOBANNDTN-UHFFFAOYSA-N	225.763	4.578	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NC(CC)(C1CC1)C1CC1	704655679	JOWWWSZZHDPTEN-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@H](C)CC(C)(C)C	704728053	KCCHUVHSHNFECX-ZBFHGGJFSA-N	247.426	4.800	0	10	BJAE	
C1=CC[C@@H](CCNCCCC2CCCCC2)CC1	706866901	FZPDESAOLJXNMQ-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)(C)C)C1(CC)CC1	709127016	KLDAGGWDFBHDOX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccccc1N[C@H]1C[C@H]2CC[C@H](C2)C1	711074291	YOCNDFALQJWQSY-MIFYACCESA-N	243.394	4.630	0	10	BJAE	
CCCCCCC1(C2CCCCCC2)CNC1	711328692	LMCDGPZQIPDIIH-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1CC(C)(C)CC	713263135	JAROOVRPGRBUNR-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](CC(C)(C)C(C)C)C1	713303804	FICHDIHHLQGMJG-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)[C@H](CC)CCCC	713689375	ZBMSFMUMGRQRPU-GLCAFCFESA-N	237.431	4.703	0	10	BJAE	
C=C/C=C/CC[C@H](NCC)c1ccccc1Cl	713710197	NIQIVKWWTFILSF-NFAHFFEMSA-N	249.785	4.513	0	10	BJAE	
C=C/C=C\CCCc1ccc(C)cc1Cl	713747239	WKMSKNCGZLWEFR-PLNGDYQASA-N	220.743	4.713	0	10	BJAE	
Cc1ccc(C)n1[C@@H]1CCC[C@H]2CCCC[C@@H]21	714280673	UUHIFHMQOPWXTF-OWCLPIDISA-N	231.383	4.636	0	10	BJAE	
C/C=C/C[C@H](CC)c1cccc(Cl)c1	714532772	AEAHKPXUYPJLCV-TZNOJPMFSA-N	208.732	4.800	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@H]1NC1CCCCCC1	717531898	YPFUCQOXRGCWOE-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H]1CCCCC[C@H]1CCC(C)=C(C)C	718494064	MDFPJDZSFQXJPG-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1cscc1Cl	718636473	GUECVNVAWUXFHF-LBPRGKRZSA-N	244.787	4.571	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCCCCC1(C)C	719261020	ORQCHKOWTDKGMQ-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H]([C@H](C)[C@@H](C)CC)C(C)(CC)CC	721756844	FVSYHUSMRZHKCE-RRFJBIMHSA-N	241.463	4.863	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1c(C)csc1C	724947396	YYTQHCDNAQDSFO-LBPRGKRZSA-N	238.396	4.764	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNC2CCC3(CCC3)CC2)C1	1199759164	HGPCVRPBXBDMCH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCCNC(C1CCCC1)C1CCCC1	1560164414	WBYRWCVCKLBHRA-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](NCCC(C)(C)CC)C1CCC1	1645234157	HTEMGRJCBYIMRM-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC(=CC1CCC(C)(C)CC1)CNC(C)C	1879517907	ZADUDXIEHNAZES-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)c1cc(CNC(C)(C)C)cs1	1901892586	OQEDENIWFLXXNH-UHFFFAOYSA-N	239.428	4.540	0	10	BJAE	
CCCC1CCC(N)(CCC[C@@H]2C[C@@H]2C)CC1	1908569403	BDWYHBFLQDMRDV-JWMHWRSXSA-N	237.431	4.501	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1C[C@H]1C1CCCC1	1910795572	TXHNMNDOWUXTFX-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC=CC[C@@H](CC)c1c(C)cccc1O	1912089831	SKZHOIHQLIJPSG-CYBMUJFWSA-N	218.340	4.551	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C1CC2(CCCC2)C1	1912646078	PAZBLSKMXXKZEK-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](CC2CCC(C)(C)CC2)C(=O)C1	1916064569	APEMFIBDYOMSBX-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(CNC2CC2)C=CCCC1	1916562855	HJTKQYSNDMABLT-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@@](N)(CC)C[C@@H](C)CC	1920192304	ZDTAYFRYQGAMHF-KBPBESRZSA-N	213.409	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)CC[C@@H]2CCCC[C@H]2C1	1921538710	LDSTZZGGRYDIHJ-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C[C@@H](O)CC[C@H]1CC1(C)C)C(C)(C)C	1921554540	VASRUJVNTGABNW-RDBSUJKOSA-N	240.431	4.636	0	10	BJAE	
CCN[C@@H](C1CCCCC1)[C@@H]1CCCC12CCC2	1921612434	HYZBRAUNBPBMOV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
O=C(CCCCCC1CC1)[C@@H]1CCCC12CCC2	1921635243	FAHPROOETVFVJV-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
CCC1CCC(C(=O)[C@@H](C)C2CCCC2)CC1	1924139995	VEPYQJJFDCBEKF-OPFPJEHXSA-N	236.399	4.598	0	10	BJAE	
C1=C[C@H](C[C@@H]2[C@H]3CCCC[C@H]32)CCCC1	1925814828	PQJCQGRJGAYDLQ-BYNSBNAKSA-N	204.357	4.559	0	10	BJAE	
Fc1ccc(C[C@@H]2C=CCCCC2)cc1Cl	1925857301	OLAVQTTUBDLILV-LLVKDONJSA-N	238.733	4.768	0	10	BJAE	
CCCC[C@H](CCC)NCCC(CC)CC	1926114200	GKXMVJIEUAESIG-HNNXBMFYSA-N	227.436	4.761	0	10	BJAE	
CCC(CC)CCN[C@H](CC)C[C@H](C)CC	1926143023	BXGSTHCXNNRTHG-UKRRQHHQSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CC(CC)CC	1926211557	FABHSTOFSNRAER-CQSZACIVSA-N	226.404	4.988	0	10	BJAE	
CCC[C@@H](C)Nc1cc(C)c(Cl)cc1C	1933590731	MMZLVUQDGBWBLJ-LLVKDONJSA-N	225.763	4.557	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@H](O)C1CCCCCC1	1940871841	HLMXXIAEMFOZNX-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1[C@H](C)CCC(C)C	1942662306	XFQTUKGKNOIJOR-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@]1(N)CCCCCC1(C)C	1944843783	UMCSVBUFWDKVAG-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C1CC(C)(CC)C1	1948406621	CPBVBBKGGYWWLB-PGOFDVKTSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(C(=O)[C@@H]2CC[C@H](C)C2)CC1	1949505349	JOKRHLNVCZHAGY-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H](CC)C1)C(C)C	1949835163	RVJKEQPEKNOSLH-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H]1CCC2(CC2)C1	1950259263	IDPZQNQXSKWPPW-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@H]1CC12CCCCC2	1950668709	OIPSOGFWPOPCSM-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@H]1C(C)=CCC[C@H]1C	1951006338	NFFJFKDZFOBZOX-ILXRZTDVSA-N	238.415	4.556	0	10	BJAE	
NCC1CCC(CCCC2CCCCC2)CC1	1951579893	NIVRVFRJVITYKK-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC(C)CC[C@@H](C)N1CC(C)(C)c2ccccc21	1962913377	OBAGEDVBFPSMKJ-CQSZACIVSA-N	245.410	4.609	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCC[C@H]2C2CC2)CC1	1967846408	CTMISPIOEMSHCF-VUROTCPHSA-N	249.442	4.514	0	10	BJAE	
CSc1cccc(N[C@@H]2CC[C@H]2CC(C)C)c1	1968261765	AGQXBZJVKLFPIJ-SWLSCSKDSA-N	249.423	4.645	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1CC[C@@H](C)C1	1968298909	MALINOWXQUPHBJ-ZIAGYGMSSA-N	231.383	4.658	0	10	BJAE	
CC[C@H](C)CN(CC)Cc1ccc(C(C)C)cc1	1971492164	XQNWXXLTLWHDTJ-HNNXBMFYSA-N	247.426	4.678	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1CC[C@@H](C)C1	1990093174	IHGGWHQRXBACPO-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC2(C)CCCCCC2)C1	1995826855	OFGSRCJJTDLFEC-HUUCEWRRSA-N	237.431	4.658	0	10	BJAE	
CC1(CCC[C@](C)(O)C2(C)CCCCC2)CC1	1995986865	QKJFXWQQDHPQSY-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CC[C@@H](C)C1)NCCC	1996247195	GQQOEOGOUHOVHM-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H](C[C@H](N)C2(C)CCCCC2)C1	1997014716	WHJPDSKKOANSNP-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@H]1CCC=CCCC1	1999987578	HKWUVWAYGUBLMW-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@H]1CCC=CCCC1	1999992201	FJKQNWCFEAFKFN-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C2(C)CC(C)(C)C2)C1	2000107107	RUSCUBQWIRSPQT-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@](C)(CCC)CCCC1CCC1	2000518344	MYBQYHQLFGPTNC-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
FC1(CNc2cccc3ccsc23)CCCC1	2001384347	DOPSMYYUEGXEPH-UHFFFAOYSA-N	249.354	4.596	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)CC1(C)CC1	2002517338	WYJXPVGTAJNLIO-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CCC1CCC2(CCCN2)CC1	2002571730	GLAKXWCBCOQPKG-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H]1[C@@H](C)CC[C@H]1CCCCCC(C)C	2002877151	OXWRJFBTZPQZDH-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](Nc1ccccc1)[C@@H]1CCCC(C)(C)C1	2003015126	DAAVEPMIXPZGPU-ZIAGYGMSSA-N	231.383	4.703	0	10	BJAE	
CC(C)CCCCN[C@H](C)[C@@H]1CCC[C@@H](C)C1	2003019579	XHWMXSDBDIEEHC-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H]1CC[C@H](C)CC1	2003103723	MYDGVRGGTORBTK-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@]1(C)C=CCCC1	2003325370	XZNXEBBKLKOCRB-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC[C@]1(C)CCCN(C2CCCCCC2)CC1	2004336430	FYYKIEYCWCGJOG-MRXNPFEDSA-N	237.431	4.611	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@@H](O)C1(C)CCCCCCC1	2004920123	HCVQLWGMDCCNSB-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@H](O)C1(C)CCCCCCC1	2004924290	ZLMGEPJORMKILE-HNNXBMFYSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@@]1(CNC)CCCCC12CCC2	2005565231	SCUSMAHLONTVDA-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CCCCCC[C@@H]1CC[C@H](C)[C@@H](NCCC)C1	2006960310	YJGYEKQSTMDPHB-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](O)[C@@H](CC2(C)CCCCC2)CC1	2009407215	LUXUHGLUFBOUFB-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@]1(N)C[C@@H](C)CC[C@@H]1C(C)C	2009571818	JCCSKOYAJTVNNC-COSBLLOGSA-N	237.431	4.523	0	10	BJAE	
CCCCCC[C@H](NCC)C1=CC[C@@H](C)CC1	2010621746	CJFBZAWRKMCFPQ-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](CC1=CC[C@H](C(C)C)CC1)NCC	2010764696	ODMUKPJWGXTEHO-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](O)(CCC[C@@H]1CC1(C)C)CCC(C)C	2013269835	CCKPJSMDFKTESX-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CNC[C@H](CCC(C(C)C)C(C)C)CC(C)C	2015347911	SKZFSRRHEIWZPK-OAHLLOKOSA-N	241.463	4.577	0	10	BJAE	
CC(C)C(CC(=O)[C@H](C)C1CCCC1)C(C)C	2015383085	ITHRGLGWKPMARX-CYBMUJFWSA-N	238.415	4.700	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@H]3C[C@@H]2C3)cc(C)c1Cl	2015647420	HRWKISWTPNJFNM-SCRDCRAPSA-N	249.785	4.557	0	10	BJAE	
CC[C@H](CNc1c(C)cc(C)cc1C)C(C)C	2016105979	JTJACPQPCARXNC-OAHLLOKOSA-N	233.399	4.706	0	10	BJAE	
CCCCC1CC(N[C@H](C)CCC=C(C)C)C1	2016150600	WDGKGVZJARSRCH-QQFBHYJXSA-N	237.431	4.680	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)C[C@H]1C[C@H]1C	2016851733	KOXSNDGIRNWQRK-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CC[C@H]1C1CCC1	2017045869	WBPYSPPKZRRMEM-SWLSCSKDSA-N	249.785	4.639	0	10	BJAE	
CCNC[C@@]1(CC(C)=C(C)C)CCC[C@H](C)C1	2017465103	DNCAOSWYQYCIPO-HOCLYGCPSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CNCC(C)(C)C1CCCCC1	2017467013	RVQJFXNILFSYTL-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC[C@@H](CN[C@]1(C)CCCC(C)(C)C1)C(C)C	2017612295	HHIDZZJNFYMRMV-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@@](O)(CCC(C)C)C[C@H]1CC[C@H](C)CC1	2017657806	ONXJWTNYPPIJKW-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCCC1CCC(CCCC(=O)C(C)C)CC1	2017776873	VVEYTSWHGAMPHQ-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCCCCN(C)[C@H](C)[C@H]1CCC[C@H](C)C1	2019292410	XNLHSEPTZYHKEJ-XHSDSOJGSA-N	239.447	4.713	0	10	BJAE	
CC=CCCCNc1ccccc1C1CCC1	2021026177	MQNQIRHGMUDTBI-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
CCCCCC[C@]1(O)CCC[C@H]2CCCC[C@H]21	2022991269	HDEBQURRLUNVPD-OAGGEKHMSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CCCC(C)(F)F	2023299975	QZZWPJFJYKKVJS-GFCCVEGCSA-N	248.357	4.988	0	10	BJAE	
CC=CCCCC(=O)c1cc(C)cc(C)c1C	2024070126	HRGPZGZVPWOBFT-UHFFFAOYSA-N	230.351	4.541	0	10	BJAE	
CC1CCC(C[C@@H]2CC(C)(C)CCC2=O)CC1	2024126609	XPZXZDFUPFNFEH-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@](O)(CCCCCC2CC2)C1(C)C	2025017490	BFIQMQMXILOMEN-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CC1(C)CCCCC1	2027311374	JYKXPUOZNDEAFZ-HNNXBMFYSA-N	245.410	4.664	0	10	BJAE	
CCCC(N)(CCC)Cc1ccccc1C(C)C	2027465044	GTGINDMXEZAWLI-UHFFFAOYSA-N	247.426	4.650	0	10	BJAE	
CN[C@H](CC1(C)CCC1)c1ccccc1C(C)C	2027517916	MACMZRXBFWPGLD-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CC(C)c1ccc([C@@H](N)CCCC2(C)CC2)cc1	2027829744	FBLKKLDNGBSLKS-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC(C)c1cccc([C@@H](N)[C@@H]2CCC(C)(C)C2)c1	2033391324	ZKDYGPILVIJMSV-HZPDHXFCSA-N	245.410	4.636	0	10	BJAE	
CC1(c2ccccc2NC[C@H]2C=CCCC2)CC1	2035587454	DPRJNJVSJFOLOM-AWEZNQCLSA-N	241.378	4.506	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)C1(C)CC(C)(C)C1	2035598204	DYQXFZHIZSMMQH-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
CCC1(C[C@@]2(N)CCC3(CCCCC3)C2)CCC1	2037107212	XMHSICVVHCMNMB-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC(C)=CCC[C@@H](N)c1ccc(CC(C)C)cc1	2037150160	UOVNASDJKNGHEL-QGZVFWFLSA-N	245.410	4.631	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(N)CC(C1CC1)C1CC1	2037189098	FXXXUXKHNZSYTM-DOTOQJQBSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)([C@H]2CCC3(CCCC3)C2)C1	2037686676	NWWZUTDVXIPSPO-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CCC[C@@H](C)CC2)c(F)c1	2039368387	BPZMNBCLLRIFKQ-DGCLKSJQSA-N	248.341	4.533	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C1(CC)CCC1	2039725512	YQOGTRYZJMCJMU-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)C[C@@H]2C=CCCCC2)CC1	2041526269	BJGRKZJUYRJVQV-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC[C@@]1(C)CC=CCC1	2042074549	OIUDFEXKZZYHRU-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@]2(C)CC=CCC2)c1	2042093149	DDTYCWJJBZCPTJ-QGZVFWFLSA-N	242.362	4.739	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(F)c2cccc(N)c2)C1	2045505179	FTXIPKNJCVPFJB-XJKSGUPXSA-N	249.373	4.670	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)[C@@H]1CCCC(C)(C)C1	2045682128	IJEWWRYLEVXXNH-ZNMIVQPWSA-N	248.410	4.764	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)CC1=CCCC1	2045980138	HHOKGJYKZASRDF-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC[C@H]1CCCN(C[C@H]2CCC=CCCC2)CC1	2046570190	DZEMDKQHSAMRLF-IRXDYDNUSA-N	249.442	4.635	0	10	BJAE	
C1CCC(N(CC2CCC2)C2CCCCC2)CC1	2046579384	PIIFDTQQNHQIFM-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
CC(C)(C)[C@]1(C[C@H]2CC23CCCCC3)CCCN1	2047016403	OPQILSQQYXSXED-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(C(=O)C[C@H]2CC23CCCC3)C1	2047052114	KLKZEBKMGMKKGW-RUXDESIVSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(NC[C@]2(C)CC=CCC2)ccc1C	2047725385	BQPIZHGROHUTHP-QGZVFWFLSA-N	243.394	4.716	0	10	BJAE	
CN(C[C@@H]1CCCC2(CC2)C1)C1(C)CCCCC1	2049940922	QSMXXGOHPHHJLX-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CCC1(C)CCC(NC[C@@H]2C=CCCCC2)CC1	2051600062	SSNPJUDHABLFSC-KLAILNCOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C1(C2CCC2)CC1	2051908715	NQEUJJFAEYIWKR-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@H](N[C@H]1CCCCC12CC2)[C@H]1CCC[C@@H](C)C1	2053325370	IGCPIYINIATLPH-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C1=CCCC1)[C@@H]1CCC[C@H]1C(C)C	2056446730	HZPVSQLTALMWAG-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1=CCCC1)C1(C)CCC(C)CC1	2056556438	IFWVAMXRCFRSNL-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)C[C@@H]2C=CCCC2)CC1	2056557209	RCIHVGRICOKVHZ-CABCVRRESA-N	249.442	4.667	0	10	BJAE	
Cc1ccc([C@H](O)C2(C)CCC(C)CC2)c(C)c1	2056558699	JEYAVHJZRSLWFK-PDOTXMHQSA-N	246.394	4.553	0	10	BJAE	
N[C@H](C=C1CCCCC1)[C@@H]1CCCCC12CCC2	2056879192	QTXVJZLPPAMQKX-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
C/C=C/CCC[C@H]1[C@H]2CC[C@@H](C2)C[C@@H]1NCCC	2059246365	BNSADIROWZOEKJ-HZZZJLPRSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H]1NCC[C@]12CCCCC21CCCC1	2059472254	HTDKYIZVFFUEHQ-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CCC[C@](C)(CC[C@@]12CCC[C@H]1C2)CNC1CC1	2061623082	PHYCKOXQOGKTCW-USXIJHARSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)C1CC2(CCCCC2)C1	2062629852	IDOVGGURDVFHRZ-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC(=O)C[C@@H]([C@@H]2CCC3(CCCC3)C2)C1	2063717009	YJQDFIQHNGXSNB-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C23CCCC2CCC3)C1	2063853941	YYUKPHVAKWDKSG-LXTOLFJKSA-N	248.410	4.742	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)CC12CCC(CC1)C2	2065340024	RGKMBWZKMWENFA-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)c1ccccc1OC[C@H]1CC12CCC2	2069182283	LHXUQDWRQJHHLL-CYBMUJFWSA-N	244.378	4.553	0	10	BJAE	
CC[C@@H](N[C@@H](C)CCC=C(C)C)c1ccccc1	2070397547	IHSLFRBNFRNBRU-DOTOQJQBSA-N	245.410	4.862	0	10	BJAE	
CCCN[C@H](CC1CCC=CCC1)C[C@H]1C[C@@H]1C	2071512937	XJJPMUCQSLJNTL-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(CC2(N)CC3(CC(C)(C)C3)C2)CCC1	2071952156	AIFYARLIFRCOTR-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc([C@@H](O)C2(C(C)(C)C)CCC2)c1	2071968072	BAUJMEXECHUWRS-OAHLLOKOSA-N	246.394	4.553	0	10	BJAE	
CCCN[C@@H](CC(C)=C(C)C)c1ccc(C)cc1	2072417149	LZDUXWNTPGSUEM-KRWDZBQOSA-N	245.410	4.782	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](N)C=C2CCCCC2)CC1	2072701746	BQFDMKGMYNBCGP-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)[C@@H]2CC23CCCCC3)CC1	2072799482	TXPGNJNWRINYDO-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@]23C[C@H](C)[C@H]2C3)CC1	2072879396	UGGYONKJSZQIGR-JGFGOLAASA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CCC1CCCC1)C[C@]12CCCC[C@@H]1C2	2074030519	UEWWWPVVTWPGFC-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@@]2(CNCC)CCC23CCC3)CC1	2074629279	NKQDKULYDPUROT-QGZVFWFLSA-N	249.442	4.517	0	10	BJAE	
CCCC1(CC[C@H](NC)c2cccc(C)c2)CC1	2074635432	CHNFPMFOWPGVMG-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CN(CC1(C)CCCCC1)[C@@H]1C=CCCCCC1	2074798957	GUYKZUSZRFBMDM-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC1CCC(N(C)[C@H]2CCC23CCCCC3)CC1	2075008727	OACPZZMKDJHXGV-GPANFISMSA-N	249.442	4.610	0	10	BJAE	
CCCc1ccccc1CN(C)[C@@H](C)C(C)(C)C	2075228528	DZZJLVQOBLDVMT-AWEZNQCLSA-N	247.426	4.506	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1C[C@H]2CC[C@H]1C21CC1	2078335681	XHLHLAQEBJMALN-FPCVCCKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2C[C@@H]2C2CCC2)c1	2079282528	NAQHYAXHDRMAPA-DOTOQJQBSA-N	243.394	4.658	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C[C@@H]1C1CCC1)C1CCCC1	2079443047	MIUNOZKCFKSYJG-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@@H]1C[C@@H]1C(C)C	2079855708	ZRENYZYJZPFXRR-XJKSGUPXSA-N	244.378	4.675	0	10	BJAE	
CC[C@H]1CC[C@@](CC=C2CCC2)(CNC(C)C)C1	2081677455	MEKUTNZTDZIQNG-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2081776356	WGLBSVHEGCMSCH-WBVHZDCISA-N	248.410	4.908	0	10	BJAE	
CCCC1(C(=O)c2ccc(C)c(C)c2F)CCC1	2083348898	IXGNAEXNLXAFMG-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
F[C@H](CNc1cccc(C2CCC2)c1)C1CCC1	2083777585	HPCRMZAIYOWACN-MRXNPFEDSA-N	247.357	4.504	0	10	BJAE	
c1ccc2c(CC3CC(=C4CCC4)C3)cncc2c1	2125733625	PGYDZIMBZDENMZ-UHFFFAOYSA-N	249.357	4.668	0	10	BJAE	
CC(C)(C)CCC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2213270537	GDSPSCQWUSYSKJ-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
NC1(CCCCCCC2CC2)CCC=CCC1	2213573403	HHARKIVFWGVGCK-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@H](O)CCCCCCC1CC1	2213583581	UBOJACJQFHWOIS-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)C[C@@]1(CN[C@@H](C)CC)C=CCCC1	2217123944	CLWXRSWQGBMILE-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@]1(CN[C@@H](C)CC)CCC[C@H]1C	2217153914	PGVTVGRVQFMAPR-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCc1cc(Cl)ccc1NC(C1CC1)C1CC1	2217242617	WULPIHXVUHPDOC-UHFFFAOYSA-N	249.785	4.503	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C1C[C@H]2CCC[C@H](C1)C2	2218334905	OIRMNDKEAPFOKE-RZLSGREXSA-N	248.410	4.598	0	10	BJAE	
C[C@@]12CCCC[C@@H]1CN2CCCCCCC1CC1	2218731926	NERFLAQRKKIJNT-IAGOWNOFSA-N	249.442	4.611	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CCCCC2CC2)c1	2220008459	YXWJRSADZBIPOR-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
C[C@@H]1CCC[C@H](Cn2ccc3cccc(F)c32)C1	2220311390	VQKSPHZUPWBSQS-OLZOCXBDSA-N	245.341	4.607	0	10	BJAE	
CN[C@@H](CC1CC(C)(C)C1)[C@@]1(C)CC=C(C)CC1	2221615239	YMRGNWKIEHCJKN-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1	2222981062	NDTQQVALIUCDQM-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](C)CCCC(C)C	2244799474	BRVQNFWYZZTHBW-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CC(C)NCC[C@@H](C)CC[C@H]1CCC[C@H](C)C1	2246686794	JEZNCVVHXGSVGY-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@H]1CCC12CCC2	2247307541	CSYAVWIHEZDWRP-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
N[C@H](CC1=CCCCC1)CC1CCCCCC1	2247534837	MGLXQTMCGGHPPQ-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
Cc1ccc(OCCCCC[C@H]2C[C@H]2C)cc1	2248814470	MOJIBEBGGOTVNY-CABCVRRESA-N	232.367	4.590	0	10	BJAE	
CCC(C)(CC)C(=O)CCCCC[C@@H]1C[C@@H]1C	2248815374	OYDBYIBZAFYAPL-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](CC)[C@H](NCC)[C@H]1CCC(C)(C)C1	2250363769	BPQDEHBLFBZHSI-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C[C@]12CCC[C@H]1CC2)NCC	2251176659	SXPSQWHDKNATDS-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(O)CC(C)(C)CCC1(C)C	2251673985	LACNBPWYPKPIPN-XEZPLFJOSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2CCCCC23CC3)C1	2253780319	FYKCWXQWIQOFBP-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCC1([C@H](N)CC[C@H]2CCCCC23CC3)CCC1	2253856825	QZRMCMLKIBMHNH-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1CCC[C@H](CCNC23CCC(CC2)CC3)C1	2253963257	OVXCAKQMDAHEBK-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@@](CN)(CC2CC3(CCCC3)C2)C1	2254058286	LYLTZPGKRKZXHU-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
C[C@H](CC1CC2(CCCC2)C1)C[C@H]1CCCCN1	2254083401	DRQYQCBPBUJEHR-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CCCNC12CCCC2	2254520311	HZWKKNMFTAFAEI-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CCCC[C@@H]1C[C@@H]1C	2254539051	WPFMWCOMASOWGD-LJIGWXMPSA-N	248.410	4.764	0	10	BJAE	
CCN[C@@H](CC1=CCCCC1)[C@H](C)C1CCCC1	2255133872	QKFRZLCQOZJZJS-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](CC[C@@H]1CCCC12CC2)c1cccc(N)c1	2255258819	LFZBENBUANSWIY-ZFWWWQNUSA-N	243.394	4.733	0	10	BJAE	
C[C@](N)(CC[C@H]1CCCC12CC2)CC1CCCC1	2255328424	FYJNLCANXUGEGT-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNc1cccc(C(C)(C)C)c1	2257906464	WAZGQXAKXGSQBO-KBPBESRZSA-N	245.410	4.832	0	10	BJAE	
C[C@@]12CC[C@@](C)(CN1CCCCCCC1CC1)C2	2259331853	GJRWYANHMKVAQL-SJORKVTESA-N	249.442	4.611	0	10	BJAE	
CCCN[C@H](C1CCCC1)[C@@]12CCCC[C@H]1CC2	2260495859	ZTWTXLXFVKXDCT-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCN(C[C@]12CCC[C@H]1CC2)C1CCCCCC1	2260576440	ZGWMYSAISXVVIF-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CC(C)c1ccc(NC[C@@]23CCC[C@@H]2CC3)cc1	2260593792	YYOQXFDDRRJDTH-WBVHZDCISA-N	243.394	4.802	0	10	BJAE	
C[C@@H](C1CCCC1)[C@H](N)C[C@]12CCCC[C@H]1CC2	2260605361	OSRCBZWLUYKXIA-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC[C@@]12CCCC[C@H]1CC2)CC1CCCC1	2260624518	URRYKGOMKYENCS-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
CCC(CC)(CNC1CC1)C[C@]12CCC[C@@H]1CC2	2260658354	OTCYUEVDRBHISD-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@@](C)(F)c1ccc(N)cc1	2300678890	OCIOGCGKOWZCRV-OAHLLOKOSA-N	237.362	4.670	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C1CCCCC1	2300682785	CFMGYWASENGJNO-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CCC(=O)C1[C@@H]2CCCCC[C@@H]12	2300697408	OPEKINDCXIBFFU-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CC=C(C)CC)NCC	2300907525	TZNXDIPYDCZZGV-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CC(=CCC1(CO)CCCC1)CCCC(C)C	2300932006	ORIYHLBROHRBNY-UHFFFAOYSA-N	238.415	4.702	0	10	BJAE	
CC(C)Sc1ccccc1NC1[C@H](C)C[C@H]1C	2300940649	UZMKWKKPCAJLRG-VXGBXAGGSA-N	249.423	4.644	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)CC1CCCCCC1	2301243773	FXTYUTWQNIRGKV-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC1CCCCCC1	2301245100	SKBULGGFFZDDKM-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CN(C[C@H]1C=CCCCC1)c1ccc(Cl)cc1	2301350155	HMBAAJAALJXUDL-ZDUSSCGKSA-N	249.785	4.523	0	10	BJAE	
CCCN[C@@H](C=C(C)C)CCC1=CCCCC1	2301907467	JMYQICPOAKRGTG-MRXNPFEDSA-N	235.415	4.601	0	10	BJAE	
CCC(CC)CCNCCCC1=CCCCC1	2302318073	PGNZYMSREJGKSZ-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
CC1(C)CCC(CC[C@H]2CCCC[C@H]2N)CC1	2302506917	KWVYVNPTNMCROE-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@H]1CCCC(=O)CC1CCC=CCC1	2302615018	ICPSCZNLDIEDPI-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H]1CCC(C)(C)C1	2302902480	PXTPTHJWWSEXPS-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
CCCC[C@@]1(CNC(C)C)CCC(C)=C(C)C1	2303472195	BGKSWFDCHFJELG-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CCC(C)=C(C)C1	2303596143	BKXGSMMCXSFPGH-HOTGVXAUSA-N	237.431	4.824	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@](C)(O)C2CCCC2)C1	2304352371	QZZIOFIQMRYFEH-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@@H](CCSc2cccc(N)c2)C1	2304389986	IPKJGRHUIGGWNC-LBPRGKRZSA-N	249.423	4.577	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@@H]2CCC(C)(C)C2)C(=O)C1	2304448012	UCDRDWRUXBCSGZ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(O)CCCC(C)(C)CC1	2307880153	VGIGMJVQZBVLJI-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)CN(C)CCCC[C@H]1C[C@@H]1C	2307904260	TUBCPYABSLTLAA-JYJNAYRXSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@@H]1CCC[C@H]1C(C)C	2307910043	MKWPVNOBQBERJG-JONQDZQNSA-N	240.431	4.636	0	10	BJAE	
CC[C@@](N)(C[C@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1	2309167299	XMTMXLURERASSP-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC=C(CC)[C@@H](NC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2311327990	IURNITMCYFMVDL-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21	2312996062	SHEDVLRLOIGFDA-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
N[C@@H]1C[C@@H]2CC[C@H]1C[C@@H]2CCCCCCC1CC1	2313003859	KGXMSUHBTWROIZ-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@]1(N)C[C@@]12CCCC[C@@H]1CC2	2313346328	JUUGGJVLJFNAQC-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
NC(CC1CC1)(CC1CC1)C1=CCCCCCC1	2315434861	YTAMCEWHCBKCAK-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CCCN[C@@H](CC=C(C)CC)[C@@H]1C[C@H]2CC[C@H]1C2	2316501435	GXTUADJAKKHYAJ-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)N1	2316940226	OPCPVQIZJGXGEO-SIRPWMCASA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCCCC1	2316945572	NZNJRFQTDVFBIG-OHFALNGGSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@H](C)C1CCC1	2317931742	LKLYUESVZHLJDC-GFCCVEGCSA-N	249.373	4.797	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@H](N)CCC1=CCCCC1	2317981192	XILBWFYVZAVNBU-OIISXLGYSA-N	249.442	4.811	0	10	BJAE	
CCC1CCC(NCCCC2=CCCCC2)CC1	2318528345	DTKZYULGLBYMHS-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CN(CCCC1=CCCCC1)[C@@H]1CCC12CCC2	2318576786	SEGIJOLYZBFLLD-MRXNPFEDSA-N	247.426	4.532	0	10	BJAE	
CC1(C)CC[C@H](Cn2ccc3ccc(F)cc32)C1	2319140767	KGSRZODOVBCNLJ-LBPRGKRZSA-N	245.341	4.607	0	10	BJAE	
CC=C(CC)[C@H](C[C@H]1CC[C@H]1C1CC1)NCCC	2319551969	VIPRHPOWZHUYQJ-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC(N)(CC[C@H]2CC[C@H]2C2CC2)CC1	2319741889	SALUVTSXSHQAFY-YTWPKEEVSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1CCC1)c1cc(C)ccc1C(C)C	2327673200	MXIISYVYBUIMMN-QGZVFWFLSA-N	245.410	4.569	0	10	BJAE	
CCCCCCc1ccc([C@@H](O)[C@H](C)CC)cc1	2327898680	INIAERNIMGLTKB-PBHICJAKSA-N	248.410	4.889	0	10	BJAE	
CCC[C@H](C)N[C@H]1CCC(C)(C)c2ccccc21	20525552	OYLJAHGFJJBOHW-BBRMVZONSA-N	245.410	4.577	0	10	BJAE	
CCCC(CCC)Nc1cccc2ncccc12	21013515	BSYAIQZROATSEV-UHFFFAOYSA-N	242.366	4.616	0	10	BJAE	
Fc1cc(NC2CCCCCC2)ccc1Cl	37069897	DYSFUJIUPWSCOK-UHFFFAOYSA-N	241.737	4.614	0	10	BJAE	
Cc1cc2oc(C3CCCC3)nc2c(C)c1Cl	62536180	LXYWBPZJTFIRAA-UHFFFAOYSA-N	249.741	4.756	0	10	BJAE	
CC(C)c1ccc(OCc2cccc(F)c2)cc1	70236391	QRLKTTKIFJSCJU-UHFFFAOYSA-N	244.309	4.528	0	10	BJAE	
CCCC[C@](CC)(CN)CC1CCCCC1	71127419	XGJGENXLIATDNL-HNNXBMFYSA-N	225.420	4.502	0	10	BJAE	
CCCC[C@H](CC)CC(C)(C)CNCCC	71127447	UBRMFIRWXPSXCQ-AWEZNQCLSA-N	227.436	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@H](Sc2ccc(N)cc2C)C1	71150151	FMEBPXHLQDDLDK-OCCSQVGLSA-N	249.423	4.638	0	10	BJAE	
Cc1ccc(-c2sc(C=O)cc2C(C)C)cc1	77599635	VBKGCDCLPYKFJQ-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CCCC1CCC(N[C@H]2CC[C@@H](CC)C2)CC1	80460003	IEXJVBQZJLIMLF-LMPOIIKSSA-N	237.431	4.514	0	10	BJAE	
CSc1cccc(N[C@@H]2C[C@H](C)CC[C@@H]2C)c1	85083358	GTSBTUAGISWQPN-TYNCELHUSA-N	249.423	4.645	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CCCC(C)(C)CC1	86894481	QXBUSRQWHWHTPR-GJZGRUSLSA-N	239.447	4.760	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)CC(C)(C)C)cc1	90482304	PQSVBSGUKWHIEJ-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CCCc1ccc2nc(C3CC3)cc(Cl)c2c1	109692457	OWPQDSAUPNYLRG-UHFFFAOYSA-N	245.753	4.718	0	10	BJAE	
C[C@H](N[C@H]1CCCC[C@@H]1C(C)(C)C)C(C)(C)C	122547455	OIZOEIMASGIBTL-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
CCC(CC)C[C@H](O)CCC1CCCCC1	124228328	BOVVJDKYLQOIHV-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CCCCCC[C@]1(O)CCCC[C@@H]1C(C)C	125845425	OKHRUDWCHBQKEE-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CCC1CCCC1	166903121	QIHVNTGLNXNLOL-OWCLPIDISA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](c2nc3ccc(Cl)cc3[nH]2)C1	206888126	VNRMUOMIECBXBJ-ZJUUUORDSA-N	248.757	4.510	0	10	BJAE	
Cc1ccc(C)c([C@H](C)N[C@H]2CCC[C@@H](C)C2)c1	216351252	IEGZFDXNQUYHAG-KCXAZCMYSA-N	245.410	4.533	0	10	BJAE	
CCN[C@H](CC(CC)CC)c1ccc(C)c(C)c1	229163066	SFPLDQYRHQYWPC-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCC(CC)CN[C@@H]1CCC[C@H](CC(C)C)C1	230775422	OGGREHFXBBWESZ-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@H]1CNc2ccc(F)cc21	235083729	DCELASMPNSWEKF-XHDPSFHLSA-N	247.357	4.551	0	10	BJAE	
Cc1ccc2c(c1)[C@H]([C@H]1CCCCC1(C)C)CN2	235993141	FATKBPWSQZQPEC-HUUCEWRRSA-N	243.394	4.721	0	10	BJAE	
Cc1ccc(NCCCC(C)(C)C)cc1C	300892518	UTGCZRMYVYMFFM-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
Cc1cccc(N[C@H](CCC(C)C)C2CC2)c1F	302495959	KAJITUUHGHIOAJ-CQSZACIVSA-N	249.373	4.761	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)CCC(C)(C)C	305982681	DCIJQJZYIYTWQZ-GFCCVEGCSA-N	237.362	4.761	0	10	BJAE	
Fc1c(Cl)ccc2sc(C(F)F)cc12	306688943	NNNDQUZEVXCWMG-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
C[C@H](C[C@@H]1CCCCC(=O)C1)C1CCCCC1	310336314	MVUFBTLPPXJJOE-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CC[C@H](N)CC1CCC(C)(C)CC1	310462768	BFEDUNPALJWBOR-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CCCOc1ccc2c(ccn2[C@@H](C)CCC)c1	310605739	KVHDRXKFARETRB-ZDUSSCGKSA-N	245.366	4.791	0	10	BJAE	
CC(C)CC[C@@]1(CNC(C)(C)C)CC[C@@H](C)C1	318021915	OJDDAZBETZLNDK-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@]1(CNC(C)C)CC[C@@H](C)C1	318141653	YUZOAVIJCKJILT-HZPDHXFCSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC([C@H](N)[C@@H](C)[C@H](C)CC)CC1	319528938	FBRZTHHWDCADQY-AKZYDZMLSA-N	239.447	4.602	0	10	BJAE	
C[C@H](Nc1cc(Cl)cc(Cl)c1)C1CCC1	379076356	IZQKHWVCJVFHTB-QMMMGPOBSA-N	244.165	4.594	0	10	BJAE	
CCN[C@H](C)c1ccc(C2=CCCC2)cc1Cl	380029646	OPHVWABAJIJGBS-LLVKDONJSA-N	249.785	4.578	0	10	BJAE	
Clc1cccc(N[C@H]2CCCC23CCCC3)c1	383046941	JECRSYNVENAENL-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
Cc1cc([C@H](O)CCCCCC(C)C)cs1	383124991	JWVITCKGZGAFPI-CQSZACIVSA-N	240.412	4.696	0	10	BJAE	
Cc1ccccc1NCCCCCC(C)C	383237906	UTSYEJBNPSCUDU-UHFFFAOYSA-N	219.372	4.623	0	10	BJAE	
CCC[C@H](C)[C@@H](O)c1ccc2ccccc2c1C	384343309	CLWLPVKZTQOXSV-YVEFUNNKSA-N	242.362	4.618	0	10	BJAE	
CCCC1([C@@H](NCC)c2cccc(C)c2C)CC1	384993188	QSLYHTPIKJRULG-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCC1(CN[C@H](C)CCC(C)(C)C)CCC1	391874185	KVYBUXBLIWVQAN-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H]1CC[C@H](c2nc3c([nH]2)[C@H](C)CCC3)CC1	392946969	KGMVJIVUCOXAFF-JHJVBQTASA-N	246.398	4.533	0	10	BJAE	
CCC[C@H](CC)NCC1(C)CCCCCC1	394542693	BWIOSHJSKXJZNZ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](NCCCC(C)(C)C)[C@H]1CC1(C)C	397721598	XRHDOBRDZOBPAV-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](Nc1ccc(Cl)cc1)[C@H]1CC1(C)C	397749121	BOLWTBRHWFIEIY-CHWSQXEVSA-N	237.774	4.577	0	10	BJAE	
CC1(C)CC([C@@H](O)c2ccccc2)CC(C)(C)C1	688339090	TYKGLIFTXWVEPQ-HNNXBMFYSA-N	246.394	4.573	0	10	BJAE	
Cc1cc(F)ccc1N[C@H](C)CC1CCCC1	689802744	SGJSSKPOLWKFEY-GFCCVEGCSA-N	235.346	4.515	0	10	BJAE	
C[C@@H](Nc1ccc(C2CCC2)cc1)C1(C)CC1	690149644	KXYRUNKPJZLNQF-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CC[C@@](C)(NCC1(C)CCCCCC1)C1CC1	691511482	RRXKSNRJQSCVNG-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(NC[C@@]23CCCC[C@H]2C3)CC1	693549337	QITOVPROZVTRIH-XGHPGWEVSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C1=CCCCC1	696185111	GECLYKQMQXYZSY-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)C1CCCCC1	696188583	XDMWEVRYWDMOIH-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)c1sccc1C	696207079	MQANYMANVTZLNV-GFCCVEGCSA-N	239.428	4.533	0	10	BJAE	
CCCNCCC(C)(C)CCC(C)(C)CC	696805430	JBFMMUZLIRJWMK-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCC(C)(C)C(=O)C1(CC(C)C)CCCC1	701293014	MXYLOKNGVUEQSB-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(N)CCCCC[C@H]2C)C1	704931433	VCYAHNJBVOSBIO-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](NC[C@@H]2CCCC23CC3)CC1	706288502	HUSFGCFCPOZQJS-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H](C)CC(C)(C)C)C1	709142706	KAQYQENBEVTUCC-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](C[C@H]1CNc2ccccc2C1)CC(C)(C)C	709155424	MUQUTTMXEOTOPT-UONOGXRCSA-N	245.410	4.733	0	10	BJAE	
CCc1ccc(C(=O)[C@@H](C)CC(C)(C)C)cc1	709255729	ATKZIWDMTFYANN-LBPRGKRZSA-N	232.367	4.504	0	10	BJAE	
CC1CCC(C[C@](C)(N)[C@@]23CCCC[C@@H]2C3)CC1	709278166	OWIMBYUGWDSUIE-GADNRMJZSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](C)NCC/C=C\c1ccccc1	710017639	LZVKULKXLJLUMG-UZGISAJGSA-N	245.410	4.504	0	10	BJAE	
CCC(C)(C)C[C@]1(O)CCCCCC1(C)C	713186657	DNEWPGIJCWBZRM-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC(C)(C)C(C)C	713305004	UQRWBCGGKNMRPK-CYBMUJFWSA-N	226.404	4.700	0	10	BJAE	
C=C/C=C/CCNc1ccc(C(C)(C)C)cc1	713646148	XNQSEZRJDRDUPN-VOTSOKGWSA-N	229.367	4.528	0	10	BJAE	
C=C/C=C/CCC1(CNCCC)CCCCCC1	713721710	VSAWQMJFNDQSDZ-AATRIKPKSA-N	249.442	4.849	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CCC(C)=C(C)C	718697412	XGMWAFKJTYPEGN-JKSUJKDBSA-N	238.415	4.844	0	10	BJAE	
CC[C@@](O)(CC1CCCCC1)[C@@H](C)CC(C)C	720978123	QAWXIFCXBCKSPT-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCC(C)(C)C[C@@H](O)c1cccc2ccsc12	829239199	DPIUMEHLIXGXPK-CYBMUJFWSA-N	248.391	4.761	0	10	BJAE	
CCC1(C)CCC(NCC[C@H]2CC=CCC2)CC1	1183325033	QMTPRSKJWHUIFU-GTPINHCMSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@](O)(CC)CCC(CC)CC	1900695857	IDVSRZLYGIEANX-HNNXBMFYSA-N	228.420	4.924	0	10	BJAE	
CCC(CC)CCOc1cc(F)cc(Cl)c1	1900698977	XMFGUEGXYTUQCY-UHFFFAOYSA-N	244.737	4.684	0	10	BJAE	
CC(=CCC[C@@H](O)C(C)C)CCCC(C)C	1900834732	ZWXBHNFSUVMYLB-OAHLLOKOSA-N	226.404	4.556	0	10	BJAE	
Cc1cc(Cl)cc(O[C@H](C)[C@H](C)C(C)C)c1	1901616763	KKRHQIAENDBLMG-VXGBXAGGSA-N	240.774	4.708	0	10	BJAE	
CCc1cscc1NCC1(C)CC(C)(C)C1	1902381220	KROPDFKKDRYPNM-UHFFFAOYSA-N	237.412	4.549	0	10	BJAE	
CC1=C(C)C[C@@H](COc2ccsc2C)CC1	1904938185	XXEHHNUYPYSNGT-ZDUSSCGKSA-N	236.380	4.572	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)C[C@@]12CCCC[C@@H]1C2	1909923580	XMPPNKLYTPXHTC-IOASZLSFSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1C[C@H]1C1CCC1	1910644503	GYIXHDDEVGJYEL-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CC1(CN)CC2(CCCCC2)C1	1912550570	GTANRAHKJLFYFK-AWEZNQCLSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1CCC[C@H](CC2(N)CC3(CCCCC3)C2)C1	1912727834	NBFORQNDTKESLP-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCCCCC[C@H]1[C@@H](NCC)C[C@H](C)C[C@H]1C	1916065941	SUNSYVAHPUQXDR-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@](C)(N)c1ccc(CC(C)C)cc1	1920477590	GOVXPKQKWLYNIK-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@H]2CCCC23CCC3)CC1	1921500929	YRZDTPNVWLTPME-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)[C@H]1CCCC2(CC2)C1	1925735819	GKDKLORFNSBGMN-CABCVRRESA-N	246.394	4.662	0	10	BJAE	
CC(C)(C)c1ncc(C[C@H]2C=CCCCC2)s1	1925880720	XIYOFLBMYMPDEC-LBPRGKRZSA-N	249.423	4.730	0	10	BJAE	
CCC(CC)CCN[C@@H](C)CCCC(C)C	1926114710	KAYMIAGYQPPKSW-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)C[C@@H](O)c1cccc(C(C)C)c1	1926357740	YJALRIUQIFLPJV-MRXNPFEDSA-N	234.383	4.670	0	10	BJAE	
CC[C@@H](C)CC1(O)CCCCCCCCC1	1938719262	RRLIBMHIIADPIB-CQSZACIVSA-N	226.404	4.678	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)CC1CC(C)C1	1940673887	QFVVZVCVPYCYOC-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CC1(CCC[C@@]2(O)CCCCCC2(C)C)CC1	1940873759	RONFQJGXLAZLOC-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@H](CC)NCC1(C2CCCC2)CC1	1942575344	MFRIGSLMTBYNOZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C=C1CCNC[C@@H]1CCC)CC	1944853176	ORMAGNWXRVLWRK-HOCLYGCPSA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](C)CC1(N)CC(C2CCCCC2)C1	1945947768	PALFKFLNBWAGFY-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CCC(F)(F)CC[C@H](O)CCC1CCCCC1	1947885446	RQJOCEHTFHQEDY-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@H](C)CC(C)C	1948324917	DMGRRWPNQMJRFI-FPCVCCKLSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](N[C@H](C)[C@@H](C)CC(C)C)C1CCCC1	1948325380	BWQNITMGCVRUAS-LZWOXQAQSA-N	239.447	4.616	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C[C@H]1CCC[C@@H](C)C1	1948333852	VKGKHEPLPKAYJX-FXUDXRNXSA-N	240.431	4.636	0	10	BJAE	
CCC1(C)CC(N)(C[C@@H](C)C2CCCCC2)C1	1948412305	DPXUNJJVKBOXKN-IUDNXUCKSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCN[C@H]1CC[C@H](C(C)C)CC1	1948431852	GUTNBMPVKVVKQW-WKILWMFISA-N	239.447	4.617	0	10	BJAE	
c1cc2cc(N[C@@H]3CCC34CCC4)ccc2s1	1949323579	BWRAOCXHSNTOPI-CQSZACIVSA-N	243.375	4.646	0	10	BJAE	
CCCC(CCC)[C@H](NCC)[C@H]1CC[C@H](C)C1	1949522384	YZHBWSAUKXZCDP-BPUTZDHNSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2C=CCCCC2)CC1=O	1949657201	YVSJYPFBCYRXOI-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)[C@H](C)NC[C@@H]1CCCC(C)(C)C1	1963157850	YWZAAXDTEVKKQT-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCCC3(CCC3)C2)c1	1968307681	NXBVXTDUVGTDCG-HNNXBMFYSA-N	243.394	4.828	0	10	BJAE	
CCOc1ccccc1N[C@@H](C)CCCC(C)C	1968332305	WMOCXVYHUTWENJ-AWEZNQCLSA-N	249.398	4.712	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCc1cccs1	1968597802	OPTUCJSSYOJXBR-UHFFFAOYSA-N	245.391	4.792	0	10	BJAE	
Cc1ccc(F)cc1O[C@@H]1CCC2(CCCC2)C1	1968606496	AOTYGVCWIBUDIM-CQSZACIVSA-N	248.341	4.626	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1N[C@@H](C)CCC(C)(C)C	1970302356	HRYISYDNGLQQSS-SOUVJXGZSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2(C3CCCCC3)CC2)C1	1970596242	UNQSNVKFKXRVMQ-ZBFHGGJFSA-N	249.442	4.658	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CCCCC12CC2	1972730645	YUDJGVXCGFJFKK-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CN[C@@H]1C[C@@H](C)c2ccccc21)C(C)C	1973383931	IDWZLQBWLCSQPM-CKEIUWERSA-N	245.410	4.507	0	10	BJAE	
C[C@H]1CCC[C@H](CNC2(C3CC3)CCCCC2)C1	1973784381	WZBZUIMCQRKGTN-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)C(C)(C)CCC	1976006608	BOFZELWMVKTXJK-CYBMUJFWSA-N	226.404	4.988	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cc(C)cc(Cl)c1	1976010752	NMLKAPWNMIYHJK-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
CCC(CC)(CC)C(=O)CCCC1(C)CC1	1978449835	GBGPXTOPBQXSFJ-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H]1CCCCCCC1=O	1980342271	QVHVEHOWTKRUKL-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@H](C)C(C)(C)C	1986938963	QKLYGNVITVKRMA-HIFRSBDPSA-N	228.420	4.636	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H]1CCC[C@@H](C)C1	1990090010	UJJCEGFYDBOZOD-QLFBSQMISA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)CC(C)(C)C	1990097396	CISDUHGYCOCZLX-KGLIPLIRSA-N	227.436	4.760	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC[C@@H](C)C1=O	1993963392	CHYXCGURWDGTMJ-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H](C)CCNc1cc(Cl)c(F)cc1C	1995048195	PELMPQCBYHEAPN-SECBINFHSA-N	243.753	4.636	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1sccc1C	1995253074	CQBMWKODVCNVEE-AAEUAGOBSA-N	240.412	4.696	0	10	BJAE	
CC[C@H](C)Cc1csc(C2CCCCC2)n1	1995461686	NZERFIIFXDGKMJ-NSHDSACASA-N	237.412	4.779	0	10	BJAE	
C[C@@H](Nc1ccc(F)cc1)C1(C)CCCCC1	1995988766	PXWCQKRWYQMTQW-GFCCVEGCSA-N	235.346	4.597	0	10	BJAE	
CC[C@](N)(CCCC(C)(C)C)C1CCCCC1	1996593992	IYBHFDBTVKWJTK-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC(C)[C@@H](C)[C@]1(N)CCCC2(CCCCC2)C1	1996647824	RPMYYIXPRIMHSJ-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CC[C@H](C)C2)CC1	1997106734	XFZINMIVCMRBHJ-XGUBFFRZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)[C@H]1CCC[C@@H](CC)CC1	1997117558	RSUIVEQSUQSLCV-CBBWQLFWSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)C1CC2(CCC2)C1	1998649833	LAOACDQCPFPCIY-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC=CCCC1)C(C)(C)C	1999990483	KIHSSRYRBOCFEF-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](O)[C@@H]1CCCC(C)(C)C1	2000034028	PMGXETMIRFPDQY-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCCC1(C(=O)CC(C)(C)C(C)(F)F)CCC1	2000195702	WWIZOMHUVUIKJC-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CCCC1(C)CC1	2000196099	CKKGOLQHJXFFFR-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCCN(C1C[C@@H](C)C[C@H](C)C1)[C@H](C)CC	2000900825	RMMHVUDHPSCGJA-SOUVJXGZSA-N	239.447	4.712	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)C[C@@H]1CC12CCCCC2	2001264186	WJQORKJLPFPAIT-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@@]1(O)CCCCC12CCCCC2	2001597856	YDNUHGDEBUWHKH-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CCCCCC[C@H](N)CC1[C@H]2CCCCC[C@H]12	2002208836	XDWTVDPXEBUPDZ-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCC(=O)[C@]1(C)CCCCC1(F)F	2002583511	SOWZYDVJDRVBAH-ZDUSSCGKSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)C[C@@](C)(N)[C@H]1CCCC(C)(C)C1	2002998931	PBRXIVYSKNZGHW-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCC1(C[C@](C)(N)[C@H]2CCC[C@@H](C)C2)CCC1	2003017383	RVNFOFGXYWHVDI-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1N[C@H]1CCCC[C@@H]1F	2006677915	QHEIDUQRUZZJDD-ZFWWWQNUSA-N	235.346	4.503	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@@H](CC)C(C)(C)C)C1	2007745963	FRSHOKWDWIDLGA-CVSAEHQPSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCC(C)(C)CC[C@@H]1N	2009404316	MHZGQMUMWMEVBX-KBPBESRZSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H]1CCC(C)(C)CC[C@H]1NCC	2009411439	PVYJPDAEDDZAIX-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@@H](CC)CC(C)C	2009533384	BXHWFCWZCOIWGH-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC=CCCC[C@@]1(CNCC)CCC[C@@H](C)C1	2009617828	WRDRRTUAWNPNTR-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H]1NCC[C@@]1(C)C1(C)CCCCC1	2009769231	FJPPAWWQTOKWHC-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C(=O)CC[C@]23CCC[C@@H]2C3)sc1C	2011011691	QGHMJSVPZCJZQY-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)C1(C)CCCC1	2014337888	FYIZDDGPSGVSEG-LSDHHAIUSA-N	239.447	4.904	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)[C@@H]1CCC1(C)C	2014934571	LENUJECDAUGROV-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@@H](C)C(C)C)NCCC	2015269759	IFSRBSULPSORIM-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CCCC1(C[C@H](N)C[C@@H](C)C(C)(C)C)CCC1	2015643767	GJWMGVVQDSFWBH-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCCC1([C@@H](O)CC2(C(C)C)CCC2)CCC1	2017112568	PHHXJINCEISZON-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC[C@H]1C[C@H]1C)NC	2017237472	MKANPXPCWLQQTR-UGUYLWEFSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(F)C[C@H]1C[C@@H](C(C)(C)C)CCC1=O	2017463567	LAWKOWSFEMOXON-NEPJUHHUSA-N	240.362	4.671	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](N)C[C@H](C)C(C)C)CC1	2017658619	OOUXEIMWNXFOQM-YHUYYLMFSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC(C[C@](C)(N)C2CCCC2)CC1	2017727812	DTRGDMKDOLBWCQ-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@@H]2CCCCCC2=O)CC1	2017775842	HPSIFZMFNQTFKO-NRXISQOPSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)CC1(CCC)CC1	2018996378	TXJNGGPWTTWRHA-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCC1(C[C@@H]2C[C@@H](C)c3ccccc3N2)CC1	2019002712	UQIHTMRMGQLPLB-OLZOCXBDSA-N	229.367	4.555	0	10	BJAE	
FC(F)c1ccc(N[C@H]2C=CCCCC2)cc1	2019504520	AOIMWGCUXWIHQN-LBPRGKRZSA-N	237.293	4.535	0	10	BJAE	
CCCN(C1CCCCCC1)[C@H]1CCC[C@@H]1C	2020507440	GAVIBZCMDOPWGV-HOCLYGCPSA-N	237.431	4.610	0	10	BJAE	
CCN(C[C@H](C)CC(C)C)[C@@H]1CCCC1(C)C	2022048755	IUNRKJMBOMKOFJ-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@@H](C=C[C@]1(C)CNC(C)(C)C1)CC	2022134397	KYJJMGUWTDRGRQ-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@](C)(O)C[C@@H]1C[C@@H]1C1CCCCC1	2022453441	GFPYTFLUBSSKHP-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)CC1CC(CC)C1	2025353821	YWCLAAPYQCLIHF-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@](C)(O)Cc1ccccc1C(C)C	2027463190	NCISJVAVDLSBJS-KRWDZBQOSA-N	248.410	4.540	0	10	BJAE	
CCCc1ccccc1COc1ccccc1C	2027915805	VIUNPRPOGJUKGP-UHFFFAOYSA-N	240.346	4.527	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)c1cccc(CC(C)C)c1	2028227195	AKNHRSISWKDTEL-IAGOWNOFSA-N	248.410	4.601	0	10	BJAE	
C[C@](N)(CCCC1CCC1)[C@@H]1CC2CCC1CC2	2028485615	PGVATAHLGDZBIW-BACDZXNISA-N	249.442	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)c1ccccc1C1CC1	2028560232	OIWOCPUSJPDEGZ-INIZCTEOSA-N	246.394	4.814	0	10	BJAE	
CCN[C@@H](C[C@@H](C)CC)c1ccccc1C1CC1	2028560904	VSZIIYOTJUOCSN-GUYCJALGSA-N	245.410	4.651	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)c1ccccc1C1CC1	2028561751	DBGISXBRKPJINL-LBPRGKRZSA-N	244.378	4.819	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)c1ccccc1C1CC1	2028572955	DTWUCAFPBANECQ-ZDUSSCGKSA-N	242.362	4.573	0	10	BJAE	
CCCC(CCC)[C@H](N)c1ccc(C2CC2)cc1	2028591585	UPNZKUPSFWKROU-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](F)c1cccc2c1NCC2	2029834740	AAPXHILFRWOOCR-DOMZBBRYSA-N	249.373	4.738	0	10	BJAE	
C(CCN[C@H]1C[C@@H]2CCCC[C@@H]2C1)CCC1CC1	2034138087	RWBNAETUYAJTCP-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@]1(N)CCC12CCCCC2	2037178949	CZCDXWMFKJSAPJ-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
CCCNCC1([C@@H]2CC[C@@H](C)C2)CCC=CCC1	2037696824	BTEGZZSVHAHXRA-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
N[C@H](CC1CC2(CCC2)C1)C1=CCCCCCC1	2037978614	AYXHSBQLYDNKKS-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
N[C@H](CC1=CCCCCCC1)CC1CCCCC1	2038167313	UQCMHRQXOBEEMT-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC(C)CCCCCC[C@](C)(O)c1ccccc1	2038167608	NNSGOZGIHPQBGN-KRWDZBQOSA-N	248.410	4.891	0	10	BJAE	
CC(C)NC[C@@]1(C2CCCC2)CC12CCCCC2	2039013327	WYANFRLPZYWMJK-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CCC1CC1)NCC1(C2CCCCC2)CC1	2040318559	GJWSEXBMPMTAGF-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
Cc1c(F)cccc1N[C@H](C)C1CCC(C)CC1	2040632892	JUQVXOMIOPYBGV-HRDQMINSSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N[C@@H](C)CC1=CCCCC1	2043193184	XFVAZYISZMNYIV-USXIJHARSA-N	249.442	4.824	0	10	BJAE	
CCC[C@@H](C)CC(=O)[C@@H](c1ccccc1)C(C)C	2045673206	DJUQBGLKVCKBAC-RHSMWYFYSA-N	246.394	4.822	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)CC1(C)CCCCC1	2045682716	PUDJMGVFNNIAHF-GOEBONIOSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1C[C@H]1CN(C1CCCCC1)C1CCCCC1	2046580482	CLJPUPBFGUSLTQ-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CCCN[C@@H](C[C@@H]1CC12CCCCC2)C1(C)CC1	2047016716	QOFFQJVJZDSFJY-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@H]1CCC12CCC2	2047934011	YESSCRFTLOAKEU-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](C)N[C@H]2CCC3(CCC3)C2)C1	2049533111	OTBMTLKCLGUSEA-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
O=C1CCCCCC[C@@H]1C[C@@H]1C[C@H]2C=C[C@H]1CC2	2049704774	PBVKVMFTJIIOKR-JONQDZQNSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCCC[C@]1(C)NC[C@H]1CCC2(CC2)C1	2049845127	HFQUXZXHGKVJRF-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@]1(C)C=CCCC1	2050006016	KDWIBLQOMHRRLL-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](N[C@H](CC)[C@@H]1CC1(C)C)c1ccccc1	2053264950	LPNRFKCLMFZEFL-ARFHVFGLSA-N	245.410	4.552	0	10	BJAE	
CC1(C)C[C@H]1CCCC(=O)[C@H]1CCCCC12CC2	2053354982	HWRQPXDJQSNRQO-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)C[C@@]1(CNC2CC2)CCCC12CC2	2053356953	GOEACBASFUAEBJ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1CCCC1)[C@H]1CCCCC12CCC2	2053358653	LEWUVJPKESEYNH-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CCCC1(CNC[C@H]2CCCCC23CCC3)CC1	2053434381	RBFWNLVZWQLQOM-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CCN[C@@H]1C[C@@H](CCC2=CCCCC2)CC[C@H]1C	2055587934	NSNFZDXTULURNO-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC1CC(C2CCC2)C1	2056667450	GMIWPFSVDYAFIG-ZALBZXLWSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C1(C)CC=CC1	2056873471	NTYCBFFOWRCINA-MRXNPFEDSA-N	247.426	4.601	0	10	BJAE	
CCN[C@H](CC1CCCC1)C1(C2CC2)CCCC1	2057599274	UDHIRNYVOONIAX-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C1=CC[C@H](C)CC1)C1CCCCC1	2060926994	VJHFHCHDSDPYGW-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H](C)C2CCCCC2)CC1	2061113516	PKLGAXONNKJGRH-CKEIUWERSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@](N)(C1=CCC(C)(C)CC1)[C@@H]1CC1(C)C	2061122049	LKMJLXQJOVTZND-RHSMWYFYSA-N	249.442	4.667	0	10	BJAE	
CC1([C@H](N)CC[C@@]23CCC[C@H]2C3)CCCCCC1	2061574378	GUMSUCHGBCWMMO-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCNc1cccc(C2(C)CC2)c1	2062641763	LCTQKAOWCYPJNB-ZIAGYGMSSA-N	243.394	4.586	0	10	BJAE	
C[C@H]1C[C@H]1CCCNc1cccc(C2CCC2)c1	2062645715	HNXAXMRXWHHJDX-DZGCQCFKSA-N	243.394	4.802	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C1(C)CCC2(CC2)CC1	2062653987	XECYUUORNOONCU-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@@]1(C[C@H]2C=CCCC2)CCC1(C)C	2068233080	LGTWVZSINUYJIY-RDJZCZTQSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1CCCC1)C1(CC2CC2)CC1	2069510529	CTSPQPIMEYMCNF-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)C1(CC(C)C)CC1	2069520313	WRXXOXYNPCLKAL-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
c1cc(NC[C@@]23CCC[C@H]2C3)cc(C2CCC2)c1	2070805020	SPPFVBNCUOBHKH-RDJZCZTQSA-N	241.378	4.556	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)CC[C@@H]2C[C@@H]2C)c1C	2072078940	CAWOMFRXZUXCHK-SWLSCSKDSA-N	244.378	4.539	0	10	BJAE	
CCOc1cc(C)ccc1N[C@H](C)C(C)(C)CC	2072832765	LSYFDEFUPRZUKX-CYBMUJFWSA-N	249.398	4.630	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N1CCCC[C@H]1C1CCC1	2074901292	XBGURSWKDOPFDA-OIISXLGYSA-N	249.442	4.610	0	10	BJAE	
CN(C[C@H]1CC=CCC1)C1CCCCCCCC1	2075166883	CCXUZJBEHZLNRB-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H]1C[C@@H]2CCC[C@@H]2C1	2077197422	ZKYZZJIYZNNSNZ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC/C=C/CNC[C@H]1C[C@@H]1C1CCCCCC1	2079462386	PNCTWCPIUSEJAL-VAJLHQMSSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@H]1C(C)(C)C)c1ccccc1	2079531268	QVVWOBWHVFYIQM-OWCLPIDISA-N	245.410	4.552	0	10	BJAE	
C/C=C/CCC[C@@H](N)[C@@H]1C[C@@H]1C1CCCCCC1	2079792445	ALEACHQSXAAHTB-WLJXVMBLSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc2ccn(C[C@@H]3C[C@@H]3C(C)(C)C)c2c1	2079818752	KJMUDZFHOPYYJI-GJZGRUSLSA-N	241.378	4.632	0	10	BJAE	
O=C(CC1CCC1)C[C@@H]1C[C@H]1C1CCCCCC1	2079842099	MNEDSFQDDSFHMX-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
C1CCCCC[C@@H]2C(CNC3CC3)[C@H]2CCCC1	2083337054	AKGQSEXKNHSTKV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C)CCC1CC2(C1)CC1(CCC1)C2	2083615399	LECIIULIZAZCMC-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C=Cc1ccccc1	2086056091	FURJAZHRZCFCNR-RDJZCZTQSA-N	245.410	4.634	0	10	BJAE	
c1ccc(-c2ccccc2NC2C[C@@H]3C[C@H]3C2)cc1	2097009657	HJDLBZALVMCGBU-GJZGRUSLSA-N	249.357	4.564	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@@H](Nc2ccsc2)C1	2212099512	FRFDUEHGTNPUKN-VXGBXAGGSA-N	237.412	4.765	0	10	BJAE	
CCC(CC)C(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213277226	IJYHVHQOBXIHIK-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@H](CCCCCCC1CC1)NC	2213573352	GSHGSWAKHCIMEN-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCCC[C@]1(O)CCCCCCC1CC1	2213580871	PSRKZSNEFHSYDK-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCC[C@@](N)(C/C=C/c1ccccc1)C(C)(C)C	2219089652	DRJDJXXNMVGIML-XLNAKTSKSA-N	245.410	4.634	0	10	BJAE	
Fc1cccc2ccn([C@@H]3C=CCCCCC3)c12	2220309154	LVJGIAOWAFOMNQ-CQSZACIVSA-N	243.325	4.842	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@H](NCCC2CC=CC2)C1	2222263828	GDTJBBOGNXWYJH-HOTGVXAUSA-N	249.442	4.537	0	10	BJAE	
c1ccc(OC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1	2222917903	MMMDMEICVUNWIQ-PMPSAXMXSA-N	244.378	4.672	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)CC[C@@H]2CC[C@H]21	2223153678	CVRPNHBLBHPCHX-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CCN[C@H]([C@H](C)c1ccc(C)cc1)C(C)(C)CC	2223967916	HZMUVBBIYOYKPA-GDBMZVCRSA-N	247.426	4.513	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)CC(C)(C)C)C1	2242770874	TYFDPBBAKGKBLU-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@](N)(CC)CCCCC[C@@H]1C[C@@H]1C	2243907039	FKGNYDNVXDRHAE-RRFJBIMHSA-N	225.420	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cscc1C(F)F	2244785672	QZMCGEAYBKIRTD-KCJUWKMLSA-N	247.354	4.512	0	10	BJAE	
CCCN[C@H](C)CC[C@@H](C)CCCC(C)C	2244836992	MGCDTYKCQAIGBQ-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)CC1CC2(CCCC2)C1	2246815302	PQDOOWJKOBAFGL-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1ccccc1NCC1=CCCCC1	2247490198	NCTSPOUYUAYTQG-UHFFFAOYSA-N	229.367	4.722	0	10	BJAE	
Cc1cccc(NCc2cc(C)ccc2Cl)c1	2248164393	UWDVAXNPWIZYPQ-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
Cc1cccc(OCCCCC[C@@H]2C[C@@H]2C)c1	2248808376	RGOPTZYTZZDXES-LSDHHAIUSA-N	232.367	4.590	0	10	BJAE	
C1=CCC(c2cccc(-c3ccccc3)c2)C1	2249022589	ZJXQAOSVQFMSQJ-UHFFFAOYSA-N	220.315	4.787	0	10	BJAE	
Cc1cc(NCc2ccsc2C)cc(C)c1C	2249490122	DGEPUWMJBLYXCJ-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CCC[C@@H](C=C(CNC)C1CCCCC1)CC	2250371355	DVEMMECCUHZCRI-AWEZNQCLSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](N)CCC(C)C	2250470220	XMACVJNGGZPTLR-CVEARBPZSA-N	241.463	4.993	0	10	BJAE	
CC[C@]1(CC[C@@H](C)CCCC(C)C)CCCN1	2250470386	ZMJUHNHYCJPESY-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CC[C@H](C)CCCC(C)C)C(C)(C)F	2250480072	BKURVDZWPVCALJ-ZIAGYGMSSA-N	245.426	4.565	0	10	BJAE	
C[C@@H]1CC[C@H]1Nc1cccc(C2CCCC2)c1	2251254950	GANCMNFQEAJPQC-MLGOLLRUSA-N	229.367	4.555	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)CC2(C)CC2)C1	2251585000	OXKHCCXRHLXQRW-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C/C=C/CCC[C@@H]1[C@H](O)C(C)(C)CCC1(C)C	2251708939	UTADUPGCCKQAAR-AFJNRPGYSA-N	238.415	4.556	0	10	BJAE	
CC1CC(CCC(=O)[C@@H]2CCCC(C)(C)C2)C1	2251763281	OBUUNPNKEBNBLM-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
Cc1ccc(-c2nc3c(s2)CCC[C@@H]3C)cc1	2252756622	ASILEVCLYGUUNS-NSHDSACASA-N	243.375	4.558	0	10	BJAE	
N[C@@H](CCC1CCCC1)C[C@@H]1CCCCC12CC2	2253783644	BHVFCOHDNADAMT-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1C(=O)C[C@H]1CCC12CCC2	2254978157	PDOFTJZLTUNOCJ-SQWLQELKSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@H](CC2=CCCCC2)C1	2255135373	BHUCISOHAUAADR-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(C)([C@H](N)CC[C@@H]2CCCC23CC3)C1	2255283306	XRTJQHRPQZPYJZ-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(NC2C[C@H]3CC[C@H](C2)C3)cc(C)c1C	2258233215	KZRCKUKRSROUMK-GJZGRUSLSA-N	243.394	4.602	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccc(CC(C)C)cc1	2259439280	UTOSUBNGSSLVMV-WBVHZDCISA-N	247.426	4.711	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@@]12CCCC[C@@H]1CC2	2260529193	ZLMQJENCRWJVTK-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)C[C@@]12CCC[C@H]1CC2	2260576749	ATXAKUZUMRMIEF-SJCJKPOMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@]1(CN)C[C@]12CCCC[C@@H]1CC2	2260678352	KUKYQLGLDQYBBK-QBPKDAKJSA-N	249.442	4.502	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CC[C@@H]1C[C@@H]1C)NCC	2298128625	MGZXOQCXRRBXFP-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC1CC1)C(C)(CC)CC	2298850278	LXSPEESBULLAMT-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@](C)(CC)C(F)F	2299926259	IVTMAXNBWOYRGF-GXTWGEPZSA-N	249.389	4.616	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@@H]1C[C@H]1C(C)(C)C	2300506731	BLEWNVCUHSATSQ-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CCCC[C@@H]1CC	2300678470	KQQPZVGTZNJZIQ-XHSDSOJGSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H]1CCCC(C)(C)C1	2300679753	WXUSVBFWMDSOML-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCC(C)=CC[C@@H](O)c1cccc2ccsc12	2300909561	PJMMVCDCLFVJPO-CQSZACIVSA-N	246.375	4.681	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@H](C)[C@@H](C)C(C)C	2301843501	JUERCFXFFNFJOU-XUWVNRHRSA-N	241.463	4.719	0	10	BJAE	
N[C@@H]1CCC[C@@H]1CCCCCCCCC1CC1	2302503334	IAEZRZLPFNNMRT-JKSUJKDBSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)c1sccc1C1CC1	2302615615	OEXGWVGJNLQPAW-ZYHUDNBSSA-N	248.391	4.635	0	10	BJAE	
CC(C)=CCC[C@](C)(O)C[C@H]1CCC(C)(C)C1	2302712937	KJUHIXCDANJRAJ-HOCLYGCPSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC)CN[C@H]1CC[C@H]1C(C)(C)C	2303397147	GPXIDIVUEAIMAV-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)C[C@H]1CCC(C)=C(C)C1	2303526358	RPEHRIICPJCRKB-XHSDSOJGSA-N	237.431	4.667	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@@H]1CCC(C)=C(C)C1	2303600267	GGSCPBWHTCVXGJ-DZGCQCFKSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1CCC(C)=C(C)C1	2303600270	GGSCPBWHTCVXGJ-ZFWWWQNUSA-N	236.399	4.908	0	10	BJAE	
C=CC=CCCC(=O)c1cccc(C(C)C)c1	2303709706	LYSOOELXHNAWME-UHFFFAOYSA-N	228.335	4.515	0	10	BJAE	
CCCC1CC(N)(CC[C@@H]2CCC(C)(C)C2)C1	2304430732	CTGISDGNPKMXSA-HLIUYOAVSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(=O)[C@@H](CC[C@@H]2CCC(C)(C)C2)C1	2304448275	WKULXXZHXJSDFK-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CN)CCC=CCCC1	2307834067	GXNVHWRRYYYCKX-JKSUJKDBSA-N	237.431	4.668	0	10	BJAE	
CCCN[C@H](C[C@H](CC)CCC)C[C@H]1C[C@H]1C	2307897029	ZGEPNHPZDHQYQD-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCCC[C@]1(N)C[C@@]12CCCC[C@@H]1C2	2311148329	UPLDTACZLVEWKP-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](C[C@@H]2C[C@H]2C2CCCCC2)C1=O	2311856435	QKEXFMBVJBSZEK-HNKHHVNMSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313183758	WAMHSZDAILXUFM-IVSAIRAKSA-N	249.442	4.501	0	10	BJAE	
CC(=CCc1cnn(C2CC2)c1)CCCC(C)C	2316487635	DDYCEQBQZRDLQU-UHFFFAOYSA-N	246.398	4.533	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)[C@@H]1C[C@H]2CCC[C@@H]21	2316503167	OOGVOWXLERBBQM-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@H]1C[C@H]1C1CCCCC1	2316511378	SPBHJJYCQPQFIA-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)Nc1ccc2c(c1)CCCC2	2317822443	BPXIFFVGCCTQOU-KBPBESRZSA-N	245.410	4.658	0	10	BJAE	
CC(C)c1ccc(F)cc1NC1CC2(CCC2)C1	2317923556	UUHJWOSYGOKVOJ-UHFFFAOYSA-N	247.357	4.694	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)[C@H](C)C1CCC1	2318587794	VWQZRPAWIUJXFK-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H]2CC[C@@H](C(C)C)C2)CC1	2320237077	GKJLUQOXHDVXAY-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CC[C@@H](C)[C@@H](C)C2)CC1	2320327241	LBGYNKGQDUNGKS-XBVQOTNRSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@@H]2C[C@@H]2C(C)(C)C)CC1	2320340036	IRHJFFYKZLQVNC-WCVJEAGWSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](CCC1CCC1)C[C@H]1CCC(C)=C(C)C1	2320386912	BKOKWXDBJOVTGF-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC2=C[C@@H](N)CC(C)(C)C2)CC1	2320387598	IIHKTKKSZMPIMS-GDBMZVCRSA-N	247.426	4.587	0	10	BJAE	
CC(C)c1cccc(CCC(=O)C2CCCC2)c1	2320664546	NISQYOQJZHXNLP-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CC(C)CC12CC(C(=O)[C@H]3CCC[C@H](C)C3)(C1)C2	2321639950	QCWLEMUDBKZYBK-JCAIJIATSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)c1cc(C)ccc1C(C)C	2327706836	CWLAEXZIXZDPJT-HUUCEWRRSA-N	247.426	4.610	0	10	BJAE	
C[C@]1(N)C[C@H]2CC[C@H]1C[C@H]2CCCCCC1CC1	2327774285	QBKWOMPRILTWJG-NCOADZHNSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CCC[C@H](C)C2)c1F	2327777590	HEBQHODGFBYWOY-STQMWFEESA-N	249.373	4.940	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H]1CCc2ccccc21	2328098074	RQJAOUGCMMDHTD-BBRMVZONSA-N	244.378	4.502	0	10	BJAE	
CCCCCCNC(CC(C)C)CC(C)C	21513042	NIUJOEUACZEMFT-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)NC1CCCCCC1	21817527	UXKXJEXISABURE-AWEZNQCLSA-N	225.420	4.514	0	10	BJAE	
CCC[C@@H](C)Nc1ccc(OC2CCCC2)cc1	37015980	FHJBDBXARSPWKK-CYBMUJFWSA-N	247.382	4.609	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1c[nH]c2ccccc12	37361397	BVBOORWENAXCQC-GFCCVEGCSA-N	243.350	4.567	0	10	BJAE	
CCCCc1ccc(CNc2ccccc2)cc1	57529912	YPOUYWAYOSIYGN-UHFFFAOYSA-N	239.362	4.641	0	10	BJAE	
CCCCC1CCC(CNCCC(C)C)CC1	62435138	QLZGFECONGASGY-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H](CC)c1ccc(C)cc1	70105552	YHPIIRLHHLYQDW-IRXDYDNUSA-N	245.410	4.614	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](CCN)C(C)(C)C)cc1	76633232	BQTYJOFJLJULHG-BBRMVZONSA-N	247.426	4.679	0	10	BJAE	
CC(C)C1CCC(C(=O)C2CCCCC2)CC1	87960117	RDVUYTJGYVKWBH-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@]2(CC)CCCCCN2)C1	91874283	KQSXGPQXZSZJBX-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CCCCc1ccc(NCC2CCCC2)cc1	104042353	HSANCTRAFSEEQV-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CC(C)CCCNCC1(CC(C)C)CCCC1	165276359	GWDHRSYHLGWPAE-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCCC(C)C)CC1	165633962	UKRIHGDFQQUHEY-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CCCCC/C=C/c1ccc2cccnc2c1O	207193299	PUAGXJXFPWBNOB-SOFGYWHQSA-N	241.334	4.534	0	10	BJAE	
CCCCC[C@H]1CCCC[C@@H]1CNC(C)(C)C	211891144	UXSWJBXUBRBCNQ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@@H](C(C)(C)CCC(C)(C)C)[C@@H](N)C1	222570506	OWHRGWGGDUMWSQ-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CCC)N[C@H](CC)c1ccco1	225984847	FICWAPBABIAFMB-UONOGXRCSA-N	237.387	4.679	0	10	BJAE	
CC(C)C1(CNc2ccc3ccccc3c2)CC1	232549365	MEMJCHXBFFJFED-UHFFFAOYSA-N	239.362	4.688	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@@H]1CC1(C)C	233134898	NKDGTNPGZNLTQO-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H](C)c1ccccc1	233594962	DDVYFARBGGAKCH-WMLDXEAASA-N	247.426	4.595	0	10	BJAE	
Cc1ccc2c(c1)[C@H](CCC1CCCCC1)CN2	235993118	JNBDFUQAYRWYTL-OAHLLOKOSA-N	243.394	4.865	0	10	BJAE	
CCCC[C@@](CC)(CO)C[C@H](C)CC(C)C	300973295	SKRLZCUCNUHABQ-HUUCEWRRSA-N	228.420	4.638	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)c1ccoc1C	302259312	NRQAMDOYARJABJ-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CCN[C@@H](CC1CCCC1)C[C@@H](C)CC(C)C	302294478	GRSJONDPTNBKRI-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)Nc1cc(OC)ccc1C	302304996	MWHSRDQYYUXGRA-GXTWGEPZSA-N	249.398	4.630	0	10	BJAE	
CCC[C@H](N[C@H](CCC)C1CC1)c1ccccc1	302445194	BRDJSXUFLFIYKP-DLBZAZTESA-N	245.410	4.696	0	10	BJAE	
CC(C)CCCCCCNC[C@H](C)C(C)(C)C	302461130	PUWCYHWKFHLMJD-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
C[C@@](CCC1CCCCC1)(CNC1CC1)C1CC1	305908179	DMLQFIXOTMWCNA-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CCCCF)NCC	308045385	GEDCLYYQDAMMBQ-LSDHHAIUSA-N	245.426	4.567	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](O)c1ccsc1Cl	308355971	MTOIRFCORQMGMQ-VIFPVBQESA-N	246.803	4.507	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H](C)C1)CC(C)(C)C	310109524	DXOIKIYTKHNUNQ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@@H]1C=CCCCCC1)C1CCCCC1	310663293	XFTBFBAVSXUVQQ-SJORKVTESA-N	249.442	4.824	0	10	BJAE	
CC1(C)CCC(CC(=O)C(C2CC2)C2CC2)CC1	311007054	OHJONOZNTZYZDF-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC(=O)c1cccc(F)c1)C1CCCCC1	311126058	AVXWQLHYOYSSFA-LBPRGKRZSA-N	248.341	4.615	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](CCC)C1CCCC1	313408273	LXXPIKROVMDFFT-GDBMZVCRSA-N	239.447	4.904	0	10	BJAE	
CCC[C@H](Nc1cc(C)ccc1F)C1CCCC1	313409349	NJQVFHDPUMEAMV-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CCCNC[C@]1(CC(CC)CC)CC=CCC1	316911298	VMTWJTZRLRKJHE-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)CCC)CCC[C@H]1C	317544695	XEXVGKIPLBBQKA-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC[C@](CNC(C)C)(CC(C)C)C1	317777154	UWNMVWVBLCTUNN-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CNC[C@]1(C[C@@H](C)C2CCCCC2)CC=CCC1	317870929	KZCYWQHMJBFHJP-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H]([C@H](CC)CC(C)C)[C@H](C)[C@H](C)CC	319476961	AJEKHPTXUQGYOX-FPCVCCKLSA-N	241.463	4.719	0	10	BJAE	
Cc1ccc([C@H](N)C[C@@H](C)C2CCCCC2)cc1	380998319	HDKPDIKGIGCDPQ-RHSMWYFYSA-N	245.410	4.601	0	10	BJAE	
CCC(C)(C)[C@@H](CCCCCC(C)C)NC	383255305	KXLWAGMZHAATSY-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CN[C@H](CCCC1CCC(C)CC1)C(C)(C)C	383685307	PPHZHTHWQSSYON-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
Cc1c([C@H](O)CC(C)(C)C)ccc2ccccc12	384420478	SOSMEWDQZDLWCX-MRXNPFEDSA-N	242.362	4.618	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H](C)c1ccccc1	384890633	LLXXLCUMMILNQN-CABCVRRESA-N	246.394	4.966	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)c1cccc(C)c1	384933813	IURFXMFRNGFLPF-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CC[C@@](O)(CC1CCC(C)CC1)c1ccccc1	385209700	XZCHJDBDLVDPAD-VMBOVVBDSA-N	246.394	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H]2CCCC23CCCC3)CC1	385689261	DMFPJTGDGAPSIS-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1cccc(C(F)F)c1	386247068	ZMWMTVBIQTYFLD-GWCFXTLKSA-N	239.309	4.615	0	10	BJAE	
CCN[C@H](c1ccc(C(C)C)cc1)[C@H]1C[C@@H]1CC	387813713	OJQFYWOBHYUXOB-RRQGHBQHSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)c1csc(CC2CCCCC2)n1	393648256	YJKHPPRRSYNMIC-UHFFFAOYSA-N	237.412	4.563	0	10	BJAE	
CC[C@H]1CCC[C@H](CNCCCCC(C)C)C1	394580071	UYLMVVNBAWJBMB-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC1(CNCCC2=CCCCC2)CCCCCC1	394615602	JNAAPOPHPMJUJC-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CC(C)CCCCC[C@H](O)[C@H](C)CC(C)C	394752180	VELKCTMPAKCRHG-CABCVRRESA-N	228.420	4.636	0	10	BJAE	
CCc1c(C(F)(F)F)ccc2sc(C)cc12	396308647	SQCCYFNIPBNHOT-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
C[C@H]1C[C@@H](CCCC2CC2)c2ccccc2N1	406105227	KCDXRVVJJNMTIG-GXTWGEPZSA-N	229.367	4.555	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)[C@@H](C)C2CCC2)c1C	692692377	IFUVWSATDGBMRR-AWEZNQCLSA-N	244.378	4.539	0	10	BJAE	
C[C@H](C(=O)c1ccccc1C1CCC1)C1CCC1	692794175	LNGCLWZDDPPMTF-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
CCCN[C@H](CC(C)(C)CC)[C@H](C)CC(C)C	696186793	OPTBOSIYYKYFOA-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCC(C)(C)CC)C1	696802174	JJWUVILBDALPHP-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@@H]1CCCCC1(C)C	697757227	WNMTZMTVRAYLJT-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)[C@@]1(N)CCCC12CCCCC2	704433646	AGXZTQXXXJWYCF-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@@]1(CCC=C(C)C)CCC[C@H]1C	704569877	HPPGBKLRJXYKQX-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCc1ccc([C@@](C)(N)CCC(C)(C)C)cc1	704860162	JKDAMMOGWYRVPR-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
Cc1c(Cl)cccc1O[C@@H]1CCCC[C@H]1C	704931524	FEIYXQQNMOIGAI-ZWNOBZJWSA-N	238.758	4.606	0	10	BJAE	
CCCC(N)(CCC)[C@@H]1CCCC[C@H]1CC	704976899	JGDSIHDNYMWHHU-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CN[C@@H](c1ccc(C(C)C)cc1)[C@@]1(C)CC1(C)C	705305202	HRZYPGJRRWJBNJ-DOTOQJQBSA-N	245.410	4.507	0	10	BJAE	
CC(C)CCCCNc1ccc2c(c1)CCCC2	707426913	WBGSJLJUJDUVEI-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)CC1(C)CCC1	710245839	NFUQCDBFFWUJBH-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCc1cccc(C(=O)C[C@@H](CC)C(C)(C)C)c1	711184692	LTYMPYQRPOTYQY-OAHLLOKOSA-N	246.394	4.894	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C1(CC(C)C)CCCC1	713127284	ZABUJAHPVAGUQI-CQSZACIVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1CC[C@H](CN)[C@H](CC(C)(C)CC)C1	713181578	DPNYRZYEWZLDNN-KFWWJZLASA-N	239.447	4.604	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC(C)(C)CC	713217141	JTWFLULTQSDVDM-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
C=C/C=C\CCNc1cc(Cl)cc(Cl)c1	713723532	YIPHKFGOBVCNGN-ARJAWSKDSA-N	242.149	4.538	0	10	BJAE	
O=C(CC[C@H]1C[C@@H]1C1CC1)CC1CCCCCC1	714899586	YKNNUAYDMHWBTM-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C(C1CC1)C1CC1	718529548	UOMIXRBHPYZDJO-MRXNPFEDSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(O)(CCCC(C)(F)F)CC1	718639884	VBZDNIJLTDDDQE-UHFFFAOYSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](CCC(C)=C(C)C)NC)C1	718651974	LTDSBTDAPDICRS-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1ccccc1C1CC1	718746002	FCMIIXHZLZYNPD-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1cccc(C2CC2)c1	718746590	GIMKVRFEQWSXFU-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CCC(C)(CC)[C@@H](C[C@@H](C)c1ccccc1)NC	721700505	ZTZVPOBRIXSZTE-GDBMZVCRSA-N	247.426	4.595	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1NCCC1CC=CC1	724190711	AMBIVSVTSIIOJY-DLBZAZTESA-N	249.442	4.537	0	10	BJAE	
CCCCCN(C)C1CCC(C(C)(C)C)CC1	1307434886	GFVALEZHWNRIIA-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
C/C(=C\Cl)CSCc1cc(C)cc(C)c1	1643879785	CMNQGTMSMLLUBY-KPKJPENVSA-N	240.799	4.679	0	10	BJAE	
c1ccc(CSCCCC2CCC2)cc1	1656186523	AODKXJNRSRITDB-UHFFFAOYSA-N	220.381	4.500	0	10	BJAE	
C=C/C=C\CCS[C@@H](C)c1ccccc1F	1656246840	SHAWFPZBMNDBOO-RXNFCKPNSA-N	236.355	4.752	0	10	BJAE	
CC[C@H](C)[C@H](C)N(Cc1ccccc1)CC(C)C	1880413425	MYFYTZNBVRLVJD-HOTGVXAUSA-N	247.426	4.579	0	10	BJAE	
CCC(C)=CCC[C@@](C)(F)C(C)(C)F	1893752647	DNMBKJXKWHGRJX-GFCCVEGCSA-N	204.304	4.599	0	10	BJAE	
C[C@H](CC1CC1)n1ccc2cccc(Cl)c21	1899430763	DBQWNLWLDMWNSX-SNVBAGLBSA-N	233.742	4.656	0	10	BJAE	
CCc1cscc1NC1CC(CC)(CC)C1	1902381508	OEZHVNBNZUPHJE-UHFFFAOYSA-N	237.412	4.691	0	10	BJAE	
CCCCC[C@H](CCC[C@@H]1C[C@H]1C)NCCC	1908546134	APOZBSIMDACROU-BZUAXINKSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](O)CCC1CCCCC1	1908581300	GFKQATIWEAJNCS-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC=CCCNC1CCC(C(C)(C)CC)CC1	1911799298	SFAZAYNWFCARSU-UHFFFAOYSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CC[C@@H]1CC1(C)C)NC	1921568029	PJDBFCIDGMIRMF-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H](C(=O)CC[C@@H]1C[C@@H]1C1CC1)C1CCCCC1	1924081841	TZBJRJVRMUNLOD-APHBMKBZSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(F)c(C[C@H]2C=CCCCC2)c1F	1925823042	CMHWJUQVMTXOSD-LBPRGKRZSA-N	236.305	4.562	0	10	BJAE	
C1=C[C@@H](Cc2ccc3cnccc3c2)CCCC1	1925829323	FNBSQNOZMNUSNZ-CQSZACIVSA-N	237.346	4.524	0	10	BJAE	
CCC(CC)C[C@@H](O)c1c(C)sc(C)c1C	1926394092	XLPLYTFVUNDPTR-CYBMUJFWSA-N	240.412	4.533	0	10	BJAE	
CCC1(C(=O)CCC[C@H]2CC2(C)C)CCCC1	1940877191	PXCGEYVDTXHGHI-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCNC[C@](C)(CC)CCC[C@@H]1CC1(C)C	1940880762	BUOAXVLXEGGSSX-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@@H](N)C1CCCCCC1	1940882280	IXGAJWXORKCAMG-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CCC1([C@@H](O)CCC[C@H]2CC2(C)C)CCCC1	1940883409	NXIBPANTFVIBHI-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CC1CCC(C)CC1	1941249815	BTHRRMYJKRFKOJ-QDIHITRGSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@H](CC)C(C)C	1941272492	KVXJEFKZJGFOQN-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(CCC1CCC1)CC1CCCCC1	1941472169	KXKWSYNRTIRNLI-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](C)[C@H](CCCCCC1CC1)NCC	1941588247	ZWDXUOKMGUQBLU-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
N[C@]1(CCCCCC2CC2)CCC=CCCC1	1941598159	BOBLFVXKOXGAPA-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)CCC[C@H](N)[C@]12CCCC[C@@H]1CCC2	1944156806	UCDGBLNWHQAFCO-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(O)CCC(F)(F)CC	1947887486	VYXZCEPBVIBPKC-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@H]2CCC[C@H](C)C2)C1	1948406586	CEKUXXSCMBMFTB-RNDNHVFHSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)CC1(CC)CCC1	1948981290	PDRBJTFBADSYSO-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C[C@@H]1C=CCCCC1	1949124739	JXBIWIOWSSYDRJ-ARFHVFGLSA-N	237.431	4.523	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@@H]1CC[C@@H](C)C1	1949531475	PUOLLZHPSVSQLV-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@]1(CO)CCCC(C)(C)CC1	1950911310	NPCIJODIIHRBAU-GOEBONIOSA-N	240.431	4.638	0	10	BJAE	
CCC(C)(C)C[C@H](NC)[C@H]1CCC[C@H](C)CC1	1950930156	MYJUZQNRUQNEKY-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2C[C@@H]2C2CCCC2)CC1	1966024210	ZNMILESFHJYDQK-XHSDSOJGSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1Nc1cccc(C2(C)CC2)c1	1967831800	DBARFHQBMGHUAO-CJNGLKHVSA-N	243.394	4.729	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1CCC2(CCC2)C1	1968238443	WZFLYEODYJPPGJ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H](C)CCC1CC1	1968277273	PUBIDPFZRBZRIT-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CC[C@@H](Nc1ccc(F)cc1C)C1CCCCC1	1968366534	IPRGSHDJJQDWQN-OAHLLOKOSA-N	249.373	4.905	0	10	BJAE	
CCSc1cccc(N[C@H](C)CCC2CC2)c1	1969626758	QURXVFAXISGCSS-GFCCVEGCSA-N	249.423	4.789	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCc1ccccc1C(C)C	1969916710	CZNOCNRCPIWTFP-GJZGRUSLSA-N	247.426	4.724	0	10	BJAE	
CC1(C)C[C@@H]1CCN[C@@H]1CCCCC12CCCC2	1970801236	GWUMGHZIXJCJAT-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN[C@H]2CCCC3(CCC3)C2)CCC1	1971568497	UDLUNLGLOWKOHI-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCC1(CC)CC(NC2CC3(CCCCC3)C2)C1	1972428323	IYZRYMDOMLJQPW-UHFFFAOYSA-N	249.442	4.658	0	10	BJAE	
CC1(C)CC[C@@H](CNc2cccc(C3CC3)c2)C1	1972458425	BHWNVJAPYHNBFX-CYBMUJFWSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CCCC[C@@H]1CN[C@H]1CCCCC12CC2	1972744666	OBMLVKUMCVLIGM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](CNc2ccc(C3(C)CC3)cc2)C1	1973403368	IETOABFBMFYXOS-ZIAGYGMSSA-N	243.394	4.586	0	10	BJAE	
CCC(C)(CC)[C@](C)(O)C1(C)CCCCC1	1975570997	NFLHFXOKUFHYBL-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C)C1(C)CCCCC1	1975572332	BAHGKSMCLKOWQC-ZIAGYGMSSA-N	225.420	4.514	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1CCCCCCCC1=O	1980319466	RCSJTTITDKKNJG-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CC(=O)c1cccs1	1980686732	GNBQANKCELQYCQ-VXGBXAGGSA-N	236.380	4.537	0	10	BJAE	
CCCC[C@@H](CC)C[C@](CC)(CN)C(C)C	1986417845	AQXPXJYIFRPJQZ-HUUCEWRRSA-N	227.436	4.604	0	10	BJAE	
CCC[C@@H](C)CC(=O)C1(C(C)(C)C)CCC1	1989453053	HZGZWFZFZXUHCN-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCC1CCC(C[C@H](CC)C(C)=O)CC1	1989836073	AKBPPFVYCLSSGC-NRXISQOPSA-N	224.388	4.598	0	10	BJAE	
CCCCCCC(=O)C[C@H]1CC[C@H](C)CC1	1989837697	WLOZELDKHRZLDK-HDJSIYSDSA-N	224.388	4.742	0	10	BJAE	
CCCCC[C@@](N)(CC)[C@@H]1CCC(C)(C)C1	1990093557	MIMLPJMDSGBMGO-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@](C)(O)C[C@@H]1C[C@@H]1CCC	1993001146	ZYMZTCQBSHBYOH-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1csc(C)c1	1995262045	KBNOIXFEJUENKQ-SMDDNHRTSA-N	239.428	4.663	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@]1(C)CCCC[C@H]1C	1995646123	YVURUFRTHUXFTB-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@H]1C)C1(C)CCCCC1	1995990060	DOOMKSNTLBUAIT-QLFBSQMISA-N	237.431	4.514	0	10	BJAE	
CC(C)CCCCCCNC[C@@H]1CC[C@H](C)C1	1996222914	OKEJSSXJGUKYJV-JKSUJKDBSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CC[C@@H](CC[C@@H](N)CC2CCCCC2)C1	1996260536	PHSBIKQPAHMADL-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCCSc1ccccc1N[C@H](CC)C1CC1	1996572231	BYNMMWSRKMHFDN-CYBMUJFWSA-N	249.423	4.789	0	10	BJAE	
CC1(C)CCC([C@](C)(N)CCC2CCC2)CC1	1996594384	LUXDARJQULWYBW-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](NCC)[C@@H](C)C1CCC(C)(C)CC1	1996594515	NFIMTUFBLOTTKV-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](O)[C@@H]1CCC2(CCCC2)C1	1996612460	YIFCLVXRPXMIEV-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C[C@]1(N)CCCC2(CCCCC2)C1	1996646544	DTBVGNRTDPUHPY-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC[C@H](CC)NC[C@@H]1CCC[C@H](CC)CC1	1997099799	ILPVIFSCIGULGG-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CC(=O)C1(C)CC=CC1)C1CCCCC1	1997602587	VDAOYDZVLCJUFD-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@H]1C=CCCC1	1998376443	CRPTVSBBZHLFNL-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC)C1(CCC)CCC1	2000388890	YFAZINKVFCWRIJ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](C)(CNCC(C)C)[C@@H](C)CCC	2000523078	LRPQCKGVMGTZIY-HOTGVXAUSA-N	241.463	4.865	0	10	BJAE	
CC1(CC2(O)CCC(C(C)(C)C)CC2)CCC1	2001142299	XJIQLMMOYYPOMM-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CCC(=O)c1ccc(C(F)F)o1	2002071004	DRNAVMZGFXMPHG-UHFFFAOYSA-N	244.281	4.616	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(N)[C@@H]1CCC[C@H](C)C1	2002998768	OAYKPJBYZNRXBS-SQWLQELKSA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C(=O)C[C@@H]1CCC2(CC2)C1)C(C)C	2003273118	OLBUZWXOZYVSIE-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC([C@@](C)(N)CC=C(C)C)CC1	2004224557	CRBFERNIDBFFCD-GPANFISMSA-N	237.431	4.667	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)C1(C)CCC(C)(C)CC1	2007697945	QYPAPRNHRYKQSS-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC1(C[C@@H]2CCC(C)(C)CC[C@H]2O)CCC1	2009406188	FKFLMHCOPSGFBX-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCNC(CCC1(C)CC1)CCC1(C)CC1	2009552242	OHJNAUJHOJCXNZ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C/C=C/CCCC(=O)c1cc2ccccc2s1	2009576458	ZEAYSXWMGXTPQJ-NSCUHMNNSA-N	244.359	4.830	0	10	BJAE	
CCCCCC1CC(N[C@@H](CC)CCCC)C1	2009790730	BHDNWNBVPXOLNH-PCKAHOCUSA-N	239.447	4.904	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1cc(F)ccc1F	2013265681	YNQCKCBYWJEGNF-GFCCVEGCSA-N	241.325	4.592	0	10	BJAE	
CSc1cccc(N[C@@H](C)[C@H]2CCC2(C)C)c1	2014901143	MRTHMGXFOTYRGQ-SMDDNHRTSA-N	249.423	4.645	0	10	BJAE	
CN[C@@H](CCC(C)(C)C)CC(C(C)C)C(C)C	2015290851	NPIZPEVIWSIJAM-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C[C@]1(N)CCCCC[C@H]1C)C(C)C	2015396767	GCYBBRJIUHGDEL-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
CCC1(CC2(O)CCC(C(C)C)CC2)CCC1	2015594884	JNNSHVTUXFVYQG-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(N)(CC2(C(C)C)CCC2)CC1	2017142940	ZFGLEWUOJWMVKJ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](O)C1(C(C)(C)C)CCC1	2017158923	PHXQQGNYJZUEGY-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@](C)(CO)C(C)C)CC1	2017717318	YOAXZAZAJMRBQV-JYJNAYRXSA-N	240.431	4.638	0	10	BJAE	
CCCC1CCC(C[C@H](N)C2(C)CCC2)CC1	2017727831	FAPWTIMJPPOFHR-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2CCCCC2(C)C)CC1	2018994404	BILUBAUINNJGCV-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)N1C[C@H](C(C)C)CC[C@H]1C	2019409716	UDRYAMZJPOMOJJ-ARFHVFGLSA-N	239.447	4.568	0	10	BJAE	
CCCCc1ccc(-c2c[nH]ccc2=S)cc1	2021484961	IKHNWPLMAMCDII-UHFFFAOYSA-N	243.375	4.754	0	10	BJAE	
CC[C@@H](O)CCCC1CC(C)(C)CC(C)(C)C1	2024124416	PLGOCOZELXIIBC-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC[C@@H](C(C)C)C1	2025575739	ZQTWTWSTAKKETC-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](O)C=C1CCCCC1	2026166088	HELHVVFYMCMNRB-ZBFHGGJFSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@](O)(CCCC1(C)CC1)c1ccccc1	2027834973	YCYSYOWDEHHAMA-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
CCN[C@H](c1ccc(CC)cc1)[C@@H](CC)C(C)C	2028252777	QUVZKVNRTIEURF-DLBZAZTESA-N	247.426	4.582	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)c1ccc2ccccc2c1	2028267441	ZJTXIBUNFUBLBR-SJORKVTESA-N	241.378	4.522	0	10	BJAE	
c1cc(CCCCCC2CC2)c2c(c1)CCCN2	2028635122	XKCLDXZSUDGCRI-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1ccccc1CC(C)C	2028916510	ZKIJTVKSYDLLLH-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@@H](c1ccc(C)cc1)C(C)(C)C(C)C	2032347610	ZADICVCZORJVQW-INIZCTEOSA-N	247.426	4.718	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1N[C@@H](CC)c1ccccc1	2035398781	AOUXRGYEZDPCMP-HYVNUMGLSA-N	245.410	4.696	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)C[C@@H]1C=CCCC1	2035575011	CTQDGLNAHSYKSN-PBHICJAKSA-N	244.378	4.590	0	10	BJAE	
CCCN[C@H](CC1CC=CC1)C1CC(C)(CC)C1	2036485302	OCYGDONQWKKMQQ-AQFXKWCLSA-N	249.442	4.537	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@H](NCCCC1CCC1)C2	2036659945	GXBDPSNWWFPCCM-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CC[C@@H]2CNC3(CCCCC3)C2)CC1	2037720031	FEFREAIZXOAGJO-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CNCC1(CC2CC3(CCC3)C2)CCCCCC1	2038079870	AIRUVVPQXPEYTE-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@H]1C[C@H]2C[C@H]2C1	2038436426	IQSOTILFAFVFBJ-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NC[C@H]2CC23CCCCC3)C1	2039059109	ROMLKXXSHGRXGV-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1CCC(C[C@H](N)[C@@H]2CC23CCCCC3)CC1	2039079687	TXPGNJNWRINYDO-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CCCC(C)(C)C(=O)Cc1ccc(C(C)C)cc1	2040719790	RVIMDXOZMNIHJS-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
C1CCCC(N[C@@H]2CCCC3(CCC3)C2)CCC1	2041289882	LYXCXHABLDCLTE-MRXNPFEDSA-N	249.442	4.802	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](NC)[C@@]2(C)CC=CCC2)C1	2042026214	BWJLDYGYQSXOAN-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C)c1ccc(C)c(C2=CCCCCC2)c1	2043821611	RQKRDQNEKZQGKK-CQSZACIVSA-N	243.394	4.623	0	10	BJAE	
CN[C@@H](CC1CCCC1)C[C@H]1CCC=CCCC1	2045316254	CEGRUCCGFGCKKH-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCCC1	2045595014	AHFYXUICXCAFJP-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@H](C[C@H]1CC12CCCCC2)C1CCC(N)CC1	2047020505	QCSZMCMCSRYQCU-CIDNJEQPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@]1(N)C[C@H]1CC12CCCCC2	2047059197	OFDXAZSUYLFPFB-DLTWYDFYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC[C@@H]2CCC23CCC3)CC1	2047956123	LDAKVMNGQQNHAI-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048386284	YNIVXSFJTRGKTD-MTSZKFMLSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1CC(c2cccc3c2CCCN3)C1	2048632715	CJRJZZCZINCNNO-UHFFFAOYSA-N	243.394	4.584	0	10	BJAE	
CCC1CCC([C@H](C)N[C@H]2CCC23CCC3)CC1	2049414195	FKURFIOZGFWGLP-LBDPXKHJSA-N	249.442	4.514	0	10	BJAE	
C1CCCCC(NCC2(C3CC3)CCC2)CCC1	2049679423	VXSVXDVLEPZQOB-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@@H](N)CC1CCC2(CC1)CC2	2049938204	OHMCLVGANASSCI-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@@]1(C)C=CCCC1	2049999547	DTKSJCZTHDOIIA-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CCN[C@H](CCC1(C)CCC1)c1ccc(C)cc1	2050442324	UYYSSDKSZBUABO-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCCC(CCC)CNC[C@H](C)c1ccccc1	2052173180	RIWSQTWDLPPIBF-HNNXBMFYSA-N	247.426	4.596	0	10	BJAE	
C[C@H](CC1CCCC1)NC[C@H]1CCCCC12CC2	2053429116	CXWGDBRLJABOHU-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)CC2CCCCC2)CCC2(CC2)CC1	2056556994	OPBLJQZXVUIQOV-OAHLLOKOSA-N	249.442	4.645	0	10	BJAE	
CCCNC[C@@]1(CC2CC(CC)C2)CC=CCC1	2056649447	XNXBENORMNDCQZ-JCYILVPMSA-N	249.442	4.539	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)c1cc(C)ccc1C	2059257367	WXGWXZXIKJZSKP-QQOXCAACSA-N	245.410	4.700	0	10	BJAE	
CCC1CC([C@H](N)C2=CC[C@@H](C(C)(C)C)CC2)C1	2061099980	SXJZTXZPRFJKQN-AHNOJICISA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)C2(C)C(C)(C)C2(C)C)CC1	2061137935	QPLBSWJKHQDVEZ-JSGCOSHPSA-N	249.442	4.523	0	10	BJAE	
C=C=CCCC[C@@H](NCCC)c1ccccc1C	2061566797	QUUAZLWGBAKXAP-QGZVFWFLSA-N	243.394	4.547	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC[C@]23CCC[C@@H]2C3)C1	2061603021	QWUYWRGUQGMCGS-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCN[C@H]1CCCC12CCCCC2	2062609846	XAGCTFLOEXFWQA-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CCC[C@H]1C[C@H]1C)C2	2062653935	WSTUSMKMSNJBOR-QZAQUIPZSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CC(=O)CC2CC3(C2)CC(C)(C)C3)C1	2063207186	CWWUCJORINNZFD-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063501160	MSMBQXVOEYSUMH-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCC1(C)C)c1occc1C	2063677928	MPNLREPWNDDYIK-ZIAGYGMSSA-N	249.398	4.598	0	10	BJAE	
CCCc1cccc([C@](N)(CC)CCC(C)C)c1	2065993500	TZVCMBNXGGWTLD-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CCC[C@@H](C)CN[C@H](CC)c1ccc(CC)cc1	2066311781	BCNOTMJQBUOLQQ-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
CC(C)(C)CC1CC(N[C@@H]2CC23CCCCC3)C1	2067965495	CAYYALUPAOMXJC-YMAMQOFZSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)CC1CC(NCC2CCC=CCC2)C1	2067985139	QWFGTPBWFUAWNO-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@]1([C@@H]2C=CCCCCC2)CCC1(C)C	2068241190	AZLLZKMLTRRIHK-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@H]1C1CCC1	2071823707	BAODAYAJLBUOFA-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
Cc1c(F)cccc1NCC1(C(C)(C)C)CCC1	2071954978	ZOQPEXDLHFFIKW-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CN[C@H](CC[C@H]1C[C@H]1C)c1ccc(C(C)C)cc1	2072076703	OSXFEUHFWQSVBQ-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
CC1(C)CCC[C@](C)(NCC2CC3(CCC3)C2)C1	2072609279	VTPRNHRLPRKRTB-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](CC2CC3(CC(N)C3)C2)CC1	2072818287	LJJSPJGXAATTRZ-PMBQJETBSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)C[C@@H]2CCC[C@H]3C[C@@H]23)CC1	2072871171	LSROMUVOFCWPRY-BWJWTDLKSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]3CCC[C@H]32)CC1	2072872119	XSPZMXFOMFNNMF-OXGONZEZSA-N	248.410	4.598	0	10	BJAE	
CCCCN(CC[C@@]12CCC[C@H]1C2)C1CCCC1	2076584750	IOBZMZVJCJZCBC-DOTOQJQBSA-N	249.442	4.611	0	10	BJAE	
CC=C(CC)[C@H](NC)c1ccccc1C1CCC1	2077189972	NJCWXZNZTSYODH-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCCNCC(=C[C@@H]1C[C@@H]1CC)C1CCCCC1	2079265984	XENWJKUNHZQJLD-HOCLYGCPSA-N	249.442	4.539	0	10	BJAE	
CC=CCCCNC[C@@H]1C[C@@H]1C1CCCCCC1	2079461839	LXYZVXJCLXFHBM-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CCCC1([C@H](N)C[C@@H]2C[C@@H]2C2CCCC2)CCC1	2079726424	SSRIKBFOWCJZQA-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@]1(CC=C2CCC2)CCCC[C@@H]1C	2081677837	QVWVKFUXPVBIAC-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1	2082988899	XKWWFTWNOCRYAI-KBUPBQIOSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@](C)(O)c1cc(C)sc1C	2211646870	RYOOTVRAQLFDLM-AWEZNQCLSA-N	240.412	4.543	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@H]2CCCC2(C)C)CC1	2213104370	CWXCXTJLRZTUAR-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H]1CCCCCCC[C@@H]1O	2215237909	SJULVXBNPUQVOI-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CC1([C@@H](O)CCCCC(F)F)CCCCCC1	2216457833	PHLUGOKQCOZGKI-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
C[C@@H]1C[C@@]1(C)[C@@H](N)CCCCCCCC1CC1	2216880459	VNOKKXIADLMIQX-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@]1(CN[C@H](C)CC)CC1(C)C	2217152659	GOKSQJGHJKJSNO-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@@H]1CC[C@@H]2CC[C@@H]21	2217283081	ODLQXNVJSAYXCU-CORIIIEPSA-N	249.785	4.503	0	10	BJAE	
CC1([C@H](N)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218359904	WFRUAWOEOQDABR-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCCC1CC1)C1C[C@@H]2CC[C@H]2C1	2218731445	KICRGMHAQBKWBM-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CCCCC1CC1)[C@@H]1C[C@@H]1C1CCCCC1	2220043665	BAKBIPOEBCVKAQ-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C[C@H]2CC[C@@H]2C)cc1	2220634708	UXUGSXTVYDIBNK-XJKSGUPXSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1ccc(C2CCC2)cc1	2220932853	OKJWPWKCZSZEGX-CZUORRHYSA-N	243.394	4.802	0	10	BJAE	
CC1(CC(=O)C(C)(C)C2CCC2)CC2(CCC2)C1	2221072217	OEICSMBAHLIRAO-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C)NC[C@]1(C[C@H]2CCC[C@@H]2C)C=CCC1	2223588147	GIRQDLPEAWBWMD-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCc2cc(C)ccc2N1	2224120195	JRVCVBMMQMSANK-HNNXBMFYSA-N	245.410	4.938	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](C[C@@H](C)C(C)(C)C)N2	2224125517	QELVFXJKBSBLAY-UKRRQHHQSA-N	245.410	4.794	0	10	BJAE	
Cc1cc(C[C@H]2C=CCCC2)c(C)cc1Cl	2244065684	UYVHWDLQBWXYLT-ZDUSSCGKSA-N	234.770	4.856	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1ccc(C2CC2)s1	2244776017	TWJZICRSJWDAJH-SNVBAGLBSA-N	236.380	4.635	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H](CC)CCC	2244782857	JABPEYZZGOACBW-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@]2(O)CCCC2(C)C)C1	2246694673	QLFXXHDJUMWXOJ-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](N)(C[C@H]1CCC1(C)C)C1CCCC1	2247436340	WZXUSNZOANBPFZ-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]([C@H](O)CCCCC[C@H]1C[C@H]1C)C(C)(C)C	2248856779	WRMYTWSMXFTKJT-APIJFGDWSA-N	240.431	4.636	0	10	BJAE	
CC(C)CC[C@](C)(N)CCCCC[C@H]1C[C@@H]1C	2248879958	PLXMMTVCVURNNI-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)[C@@H](N)CCC[C@@H](C)CCCC(C)C	2250472076	BUXKDWFFWBJUCB-JYJNAYRXSA-N	241.463	4.993	0	10	BJAE	
CCC(CC)CC(=O)C[C@]12CCCC[C@@H]1CC2	2251157104	FZDCVRCTYKOVNL-GDBMZVCRSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC(=O)CCC1CC(CC(C)(C)C)C1	2251562680	KZLPHRSUFSFXIN-UHFFFAOYSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](O)(C2CCCCC2)C1	2251676395	BTWPPXUMMJGODI-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H]2C=CCCCCC2)C1=O	2251709125	VPZNQCOUAYRVIQ-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
Cc1cccc(OCC[C@@H]2CCCCC23CC3)c1	2253808697	LKQNDWXWYLNDHW-HNNXBMFYSA-N	244.378	4.734	0	10	BJAE	
CC[C@H](NCC[C@H]1CCCCC12CC2)C1CCC1	2253888893	IQWSZYNBZADXGE-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@H]2CCC3(CC3)C2)C1	2253922680	PLOZIMQSCMASKP-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCn2ccc3ccccc32)C1	2253964879	LRKURGRKTGSTRS-CABCVRRESA-N	241.378	4.858	0	10	BJAE	
Cc1ccc(F)c(NCC2CC3(CCCC3)C2)c1	2254085734	JFHVDMZMZZLKJL-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@H](N)CCCC[C@@H]1C[C@@H]1C	2254576391	GUSBZIOQPBHMPS-FIDHJVLJSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)C1CC(C2CC2)C1	2257303783	OFOPHASLEKRBMJ-YUCHNRCRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC[C@]1(C)CC=CCC1	2257316227	QBEXKRQREOTEEJ-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(NC2CC3(CCCC3)C2)cc(C)c1C	2258235555	HFSOZTLOXPLCTB-UHFFFAOYSA-N	243.394	4.747	0	10	BJAE	
CCCC[C@H](CC)Oc1ccc(C(C)=O)c(C)c1	2258887958	XXSLCQUDQRAFRX-AWEZNQCLSA-N	248.366	4.545	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@]23CCC[C@H]2CC3)CC1	2260583689	QBVIRGXNJDKQAK-BHYGNILZSA-N	246.394	4.662	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](N)C[C@@]12CCCC[C@@H]1CC2	2260606152	PUFRIOTXZLYSOS-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
Fc1cccc(-c2cccc(C3CCCC3)c2)n1	2260676577	ZLNLTFRIQVABCP-UHFFFAOYSA-N	241.309	4.545	0	10	BJAE	
CC(C)(C)C1CC(C=C(CN)C2CCCCC2)C1	2261193543	FUPIEAWQOHREKR-UHFFFAOYSA-N	249.442	4.524	0	10	BJAE	
CCC(CC)CCN(C)[C@@H]1CC[C@@H]1CC(C)C	2300685737	IGJFPEPFOUKELH-HZPDHXFCSA-N	239.447	4.569	0	10	BJAE	
CC=CC[C@@H](NCCC)c1csc(C2CC2)c1	2300879439	GGGSTNDEPDCISY-CQSZACIVSA-N	249.423	4.632	0	10	BJAE	
CC(=CC[C@@H](O)CC1CCC1)CCCC(C)C	2300934014	IGYXVBBINRMYQL-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CCCC(=O)CCC[C@@H]1C[C@H]2C=C[C@H]1CCC2	2301368953	SQRJHOJTVLJNKJ-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCCCCCNc1cc(F)ccc1C(C)C	2301906407	ZGEOEIKUGPIADC-UHFFFAOYSA-N	237.362	4.941	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)CCC1=CCCCC1	2301939279	SLCSODNKWBMYOB-INIZCTEOSA-N	235.415	4.731	0	10	BJAE	
CC1([C@@](C)(O)CCCC2=CCCCC2)CCC1	2302328271	IAYLAKLGLZZYCO-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](CNCCCCC(C)C)CC1	2303456717	NUZUOQWNZQJZET-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CN[C@H](CC[C@H]1CCC(C)=C(C)C1)C(C)(C)C	2303583074	JMQGSJJFBFFPBD-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC1(c2nc(C3CC4(CC4)C3)cs2)CC1	2304394601	SDMAIIGTMGATIG-UHFFFAOYSA-N	247.407	4.632	0	10	BJAE	
C[C@@H](C(=O)CC[C@@H]1CCC(C)(C)C1)C(C)(C)C	2304431840	OWDQTKKZUJTFIB-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC[C@](N)(CC[C@@H]1CCC(C)(C)C1)C1CCC1	2304432193	SHXRZXYFGZNKSB-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)C(C)(C)C1CCCC1	2307843284	OFOJJKHNJZETIM-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CN)CCC[C@@H](C)CC1	2307845374	TWDAPJJWZATHJO-PMPSAXMXSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CC(C)(C)C[C@@H]1NCC	2307903501	OVDLXBXMRCOYLD-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@@]12CCCC[C@@H]1C2	2311163941	XLNFXEHMGZKISM-KEYYUXOJSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CCC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312883723	DLNIIBRQVTUGAX-BQJWPVKWSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@H](C)CC2CCC2)cc1	2313594936	VFBHEEVEULSLQQ-DYVFJYSZSA-N	245.410	4.636	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)C1(C)CCC2(CC2)CC1	2313623169	SBIVDAFIENUGDB-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1C[C@@H]1C1CCCCCC1	2313705814	WXBSVHPLZHYNEY-DAXOMENPSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1C[C@@H]1c1ccccc1	2316252678	PGSWSZFKTJEMSD-CVEARBPZSA-N	244.378	4.576	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1CC2CCC1CC2	2316871909	GIWASNXIRNGVGA-BHUNQDJPSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1CC(=C2CCC2)C1	2317012508	HWNNYTKISAQHHN-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1[C@H]([C@H]2C[C@@H](C)c3ccccc3N2)CC1(C)C	2318249376	WQTVGBIVYQJSFC-FAXLKDOZSA-N	243.394	4.657	0	10	BJAE	
O[C@H](CCCC1=CCCCC1)[C@@]12CCCC[C@@H]1C2	2318578946	PODJUDPPEKCNGT-BRWVUGGUSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](CC2(N)C[C@H]3CCC[C@@H](C3)C2)C1	2319308628	MFHPOMJTNFOVJT-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CCCC1CC(C(=O)CC[C@H]2CC[C@H]2C2CC2)C1	2319695253	CMWUFFSLZIETHR-UHDQLFAASA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CC(=O)C1CC(=C2CC2)C1	2320227355	YHXKIWFLSSRLFS-SWLSCSKDSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](O)[C@@]2(C)CC=CCC2)CC1	2320330464	YBPLMNXZGAAWNF-IKGGRYGDSA-N	248.410	4.620	0	10	BJAE	
CC1=C(C)C[C@H](C=C2CCC[C@@H](CCN)C2)CC1	2320332805	APKXRAYYFOVKES-DOTOQJQBSA-N	247.426	4.588	0	10	BJAE	
CC(C)[C@H](C)CC(=O)c1cccc(C2CCC2)c1	2320657313	OIIHYIIMLKIYBN-CYBMUJFWSA-N	244.378	4.819	0	10	BJAE	
CCC[C@@H](C)N(C)Cc1cccc(C2CCC2)c1	2320672912	QBESGCGKDPMAEY-CQSZACIVSA-N	245.410	4.575	0	10	BJAE	
Cc1ccc2ccn([C@@H](CC3CC3)C3CC3)c2c1	2320694158	AKSGELWMYIZKDY-KRWDZBQOSA-N	239.362	4.701	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)[C@@H](CC)c1ccccc1	2328280534	AVUPANFEWDAOAQ-BHYGNILZSA-N	248.410	4.758	0	10	BJAE	
CCCCCCNc1ccc(C(C)(C)C)cc1	20359102	MBMYLXXCEMVJJR-UHFFFAOYSA-N	233.399	4.976	0	10	BJAE	
CCCN[C@@H](C)c1ccc(C2CCCCC2)cc1	35582909	GRPGQKSWUKFCSE-AWEZNQCLSA-N	245.410	4.795	0	10	BJAE	
CC(C)C[C@@]1(O)CCCC[C@H]1C1CCCCC1	37375735	JLYGOWCBQAJKGM-HOTGVXAUSA-N	238.415	4.534	0	10	BJAE	
Cc1c(-c2c[nH]c3ccccc23)[nH]c2ccccc12	39617874	YGUTWYRSEKQOMR-UHFFFAOYSA-N	246.313	4.625	0	10	BJAE	
CCc1ccc([C@@H](C)Nc2ccc(C)cc2)s1	41202580	IRVLPAVMRQBQIR-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C3CC3)C2)c(F)c1	81626643	KKHJPZHOOFCRKB-KBPBESRZSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)[C@@H](CC)NCC	82443884	KAWOSGHQMXINNJ-RBSFLKMASA-N	227.436	4.617	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@H](C)C[C@@H]1C	85098722	IPACVZQWQKRCIA-DUVNUKRYSA-N	245.410	4.794	0	10	BJAE	
CCC[C@@H](CC)Nc1nc2c(C)cccc2s1	91945849	CGMWIGXFYKOIDN-LLVKDONJSA-N	248.395	4.595	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CCCCC1(C)C	94278351	LSUKDGYGEQMYRC-OAHLLOKOSA-N	245.410	4.938	0	10	BJAE	
CCCC[C@H](CC)CC(=O)Cc1ccccc1C	109709649	ZRWJINSWYALQGL-HNNXBMFYSA-N	246.394	4.713	0	10	BJAE	
CCc1cccc(C)c1N[C@@H](C)CCC(C)C	109899927	SXZNMXSSYXUIAM-AWEZNQCLSA-N	233.399	4.794	0	10	BJAE	
CCCc1ccc([C@@H](N)C2CCCCCC2)cc1	110198210	ZZSSOAZEYUPLTR-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCCCCCC(=O)[C@@H]1CCCc2ccccc21	112884834	CNZYDTXCFGGDHP-MRXNPFEDSA-N	244.378	4.646	0	10	BJAE	
c1ccc2c(NCc3ccsc3)csc2c1	134538816	COYRTPJNONMPNU-UHFFFAOYSA-N	245.372	4.575	0	10	BJAE	
C[C@@H](CN[C@H]1CCCC(C)(C)CC1)C(C)(C)C	162622411	UIWIEUDIZPZBTO-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](c1cccc2ccsc12)C(C)C	163254560	PQMPIFVCJLEBSK-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CCN[C@@H](c1cccc(CC(C)C)c1)[C@H](C)CC	165811317	MYDLBTWWWPSWGX-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CCCCCc1cc(Cl)c2ccccc2n1	168189862	ZTNBKAOWBPCKSA-UHFFFAOYSA-N	233.742	4.621	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@H](Nc2ccccc2)C1	200998002	NDQTYANKBJVZOF-HIFRSBDPSA-N	231.383	4.703	0	10	BJAE	
Cc1cccc(C2([C@H](C)F)CCCCC2)c1	220340528	YTQVVVQEJWZBDT-ZDUSSCGKSA-N	220.331	4.555	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)N[C@@H]1CC[C@@H](C)C[C@@H]1C	226171087	YYEWKYAUMFADIS-IBEHDNSVSA-N	239.447	4.616	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@@H](C)[C@H]2C)c(C)c1	226998930	DFGOSCPMCONTSN-XNRPHZJLSA-N	231.383	4.540	0	10	BJAE	
CCC[C@@H]1CC[C@@H](NC)[C@@H](CC(CC)CC)C1	227535585	RSVSKSXMIAGYSN-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(CC2CCCCC2)C1	231011294	KIDUSBSOBPLLDW-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](c1c[nH]c2ccc(Cl)cc12)C(C)C	233821562	SBOMRJUXOGKJLW-NSHDSACASA-N	235.758	4.971	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H]1CCC[C@@H](C2CC2)C1	251573661	ATXBWRQTVXYHMS-SIXLDLHFSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C	252363598	QMADIGPCDWCJNR-FXUDXRNXSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)CC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	253177370	AVVAUBCKXJLKMF-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](c2ccc3c(c2)NCCC3)C[C@H]1C	300116272	MKSRGPZOXYYAQJ-UMVBOHGHSA-N	243.394	4.584	0	10	BJAE	
CCCC[C@H](CC)C(=O)CCC1CCCC1	300746285	JMTOYTLLNHTOQE-AWEZNQCLSA-N	224.388	4.742	0	10	BJAE	
CCc1ccsc1[C@H](N)CCCC(C)(C)C	300925079	UJCBUKVSAZQENV-GFCCVEGCSA-N	239.428	4.527	0	10	BJAE	
Cc1ccccc1[C@H](C)Nc1cccc(C)c1F	302266905	GMCKFTZHLQBVSH-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCN[C@@H](c1cc(C)c(C)o1)C1(C)CCCCC1	302430862	SDARJBBCPHOXTG-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CN[C@H](CCCCC1CCCCC1)C(C)(C)C	305983084	RQCRUNFVFMECES-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)CCCC(C)(C)C	308066072	MVXCWUNWEYRPCG-UONOGXRCSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@@H](CC)[C@@H]1CCCCC12CCCC2	310318472	XZJNOXFYRGPISN-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(C)c([C@H](O)[C@@H](C)C2CCCCC2)c1	310783544	FZHAHDDAISPLDU-WMLDXEAASA-N	246.394	4.553	0	10	BJAE	
CCCC[C@@]1(CNCC(C)C)CCCC[C@H]1C	318533264	QLXAMRUMTNERIW-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](N[C@@H](C)c1ccc(C)c(C)c1)C1CC1	324115808	OVFUHYFHAHVSJK-YOEHRIQHSA-N	245.410	4.533	0	10	BJAE	
CCCN[C@H](C)CCCC/C=C/c1ccccc1	324180172	SEARBBDERMDEOQ-OQRGYWNNSA-N	245.410	4.648	0	10	BJAE	
C[C@H](C[C@@H](N)CC1(C)CCCC1)CC(C)(C)C	380069637	ZTBYQXDGDQWKSA-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCCCCC(C)(C)CNC[C@@H](C)C(C)(C)C	380155834	SYKGIIKHTGIWEW-CQSZACIVSA-N	241.463	4.865	0	10	BJAE	
CC(C)CCCCCC(=O)[C@H](C)c1ccccc1	383088887	BRCHJLUTISLMCS-OAHLLOKOSA-N	246.394	4.966	0	10	BJAE	
CC/C=C/CN[C@H](CCCC)c1ccc(F)cc1	384768720	BMSSICHSORUPGA-BIENSFFJSA-N	249.373	4.613	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)CC1=CCCCC1	384995951	UPYRNKPOWSDAAE-INIZCTEOSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H]1CCCC12CCCC2	392787251	JUAPYNWCENBZIL-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCCc1ccccc1[C@@H](C)CCNC(C)(C)C	395043494	ODNGGBJCYXQTBA-AWEZNQCLSA-N	247.426	4.521	0	10	BJAE	
Cc1ccc2scc(C(F)(F)F)c2c1S	396302913	MEQPCGNFQPSUHV-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCc1cc2cc(C(F)(F)F)c(C)cc2s1	396310566	VZHAWDNWTUHWCZ-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1cc(S)c2c(C(F)(F)F)csc2c1	396313274	YLLWRFKNQNKUJT-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CC=CCC1)NCCC	402313346	JPCQGTXZQUIETR-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1coc2ccccc12	404348707	IEIDLSGDVDYFFO-LBPRGKRZSA-N	244.334	4.688	0	10	BJAE	
CC[C@@H](Nc1ccc2c(c1)CCCCC2)C(C)C	404782936	RICCBHMIWYMCGK-QGZVFWFLSA-N	245.410	4.802	0	10	BJAE	
CCCN[C@H](CC(C)(C)C1CC1)[C@@H](C)CCC	405729456	LJAJSITYMVKMCP-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)Oc1cccc(N[C@H](C)C(C)(C)C)c1	687694109	CYPKBYCULQYDJW-QWHCGFSZSA-N	249.398	4.710	0	10	BJAE	
CC(C)c1ccc([C@H](O)CCCC2CCC2)cc1	688359653	OCWSYASCAFOUSB-QGZVFWFLSA-N	246.394	4.814	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H]2CCCC2(C)C)c1	688971692	SFCALUGHBLBHEH-CVEARBPZSA-N	246.394	4.670	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1cccc(F)c1Cl	690269415	XQRRAMZNXFQXHK-SNVBAGLBSA-N	243.753	4.716	0	10	BJAE	
Clc1cc(Cl)cc(OC2CCCCC2)c1	694962984	KGZJZJVOIDNNIE-UHFFFAOYSA-N	245.149	4.705	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C1(C(C)C)CC1	697589768	VXIYERHKZBMHSS-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C(C1CCC1)C1CCC1	697772022	PEAADIRPDYJWEF-INIZCTEOSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)C1CC(C)(C)C1	701430348	DRRFBGWVRLXBPG-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CC1CCCCCC1	704993630	LEZJEBRKRBUECZ-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@](C)(N)C2CCCCC2)C1	707540771	KOJAAJMHMOHXJO-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C[C@H](C[C@H]1CCCCC[C@@H]1CN)CC(C)(C)C	709076997	IEIGTVQKBXKNTM-RBSFLKMASA-N	239.447	4.604	0	10	BJAE	
CCc1ccc(C(=O)[C@H](C)CC(C)(C)C)s1	709256536	ZLXCLSZCZKVMDV-SNVBAGLBSA-N	238.396	4.566	0	10	BJAE	
CC(C)(C)C[C@@]1(O)CCCC[C@@H]1c1ccccc1	713189394	RKFFWYXLIYBQAR-WBVHZDCISA-N	246.394	4.512	0	10	BJAE	
CCCNC[C@]1(CC(C)(C)C)CCCC[C@@H]1C	713313245	IVPCQRGGXPIGRI-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CC(F)(F)CCC[C@H](O)CCC1CCCCC1	718701532	DXNADAKLIIIBPT-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
Cc1cc(C)c(-c2c(C)sc(C)c2C)cc1N	722500066	STLRCBQKYKLUKE-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
C=C/C=C\CCN(CCCC)C1CCCCC1	1170638424	HXPVXJLJIDTVCH-ALCCZGGFSA-N	235.415	4.554	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@@H]2CCCC3(CC3)C2)C1	1179670184	FWZNJHQAALYYKR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H](C)SC[C@@H]1CCCC[C@@H]1C	1613581172	CEEXAHLVSIJIGA-AVGNSLFASA-N	214.418	4.590	0	10	BJAE	
Cc1cccc(NCc2ccc(Cl)c(C)c2)c1	1656107496	WAWIUPDSDSDYHL-UHFFFAOYSA-N	245.753	4.569	0	10	BJAE	
C[C@H](NCC1(C)CCC2(CC1)CC2)C1(C)CCC1	1875731894	MEKIRAFRFGCZOL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@H](CCC)CCC(CC)CC	1900693892	SJQJUDODKRBBOW-OAHLLOKOSA-N	227.436	4.619	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@@H](C)CC(C)(C)C	1900704100	VDLBYIBUHCRVDZ-GXTWGEPZSA-N	227.436	4.602	0	10	BJAE	
CCC(C)=CCC(=O)[C@H](CC(C)C)C(C)C	1900860622	ZVDGKNBUKXSGOW-CQSZACIVSA-N	224.388	4.620	0	10	BJAE	
Cc1cc(-c2nc(CC3CCC3)cs2)cs1	1901908596	MMGYZKZKHOJKFE-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1cccc(Cl)c1	1905432736	DKQLXZBQWHACQA-SMDDNHRTSA-N	239.790	4.556	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H]1C(=O)CC1CCCCC1	1907594930	UFESCXXROQCGKI-LSDHHAIUSA-N	236.399	4.598	0	10	BJAE	
C=CC=CCC[C@@H](NCC)[C@H](C)CC(C)(C)C	1911875412	RUCCNTVTUJFLOM-HUUCEWRRSA-N	237.431	4.559	0	10	BJAE	
CC1(C)C[C@@]1(C)CN[C@H]1CCC2(CCCCC2)C1	1915862833	JDHWTKFGBDFRHS-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccc(N[C@@H]2CC[C@@H]3C[C@H]3C2)cc1	1917328473	GJGHUTLQJRFWDK-DVOMOZLQSA-N	243.394	4.585	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)CCCC(C)(C)C	1919950626	YJOIALVGRNOYMB-ZFWWWQNUSA-N	228.420	4.780	0	10	BJAE	
CCCCCC[C@](C)(N)[C@@H]1CC[C@@H](C)[C@H](C)C1	1920182691	MEDIRDZRTNNKCT-FPCVCCKLSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)CNCC1CC(CCC)C1	1921220483	OCVFYCLZNCHBMV-QQFBHYJXSA-N	239.447	4.619	0	10	BJAE	
CC(C)c1cnc([C@@H]2CCCC23CCC3)s1	1921614011	CJSPFTBFPTWCNG-NSHDSACASA-N	235.396	4.704	0	10	BJAE	
Cc1cccc([C@H](N)[C@@H](C)C2CCCCC2)c1C	1924129709	HUWTULSMQRZWGM-WMLDXEAASA-N	245.410	4.520	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)c1sccc1Cl	1928726394	FOLRGVKHRNRCPB-SECBINFHSA-N	244.787	4.657	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(O)C[C@H](C)C(C)(C)C	1940242800	GZSFREZBVGBDAY-BBRMVZONSA-N	242.447	4.738	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1(C)C(C)(C)C1(C)C	1940278203	AJTIWYJYDNLJTE-LBPRGKRZSA-N	238.415	4.700	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1CC1(C)CCCCC1	1940417821	YIYMTPCAJKWMRV-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC[C@@H]2CC2(C)C)C1	1940852361	DWGXICOXMVIJBE-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)CCC[C@@H]1CC1(C)C	1940880738	BNIWTWNYYIHPBD-RRFJBIMHSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCCC1(C)CC1)C(CC)CC	1940885102	WPNQZSQPRSYOPM-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CN[C@@H]1CCCC(C)(C)CC1)C(C)C	1941934545	LAVKOLNTXFWECY-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)NC1CC(C2CCC2)C1	1942154812	RHCSZHRYZMIKJA-JEYLPNPQSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(N)CCC(C)(C)C[C@H]1C	1942657935	GOVFXJCLFRPRDX-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C(C)(C)C1CCCC1	1944647227	UFZPOLMAZBQJIY-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H]1CCC(C)(C)C1	1945582212	LFBAPPTZABXIJE-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)C[C@@H]2CCCC[C@@H]2C1	1946290270	PCRPOQYJFYLUFR-FOLVSLTJSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)[C@H](C)CC(C)C	1948325164	FSQABNFSEUGSQJ-CHWSQXEVSA-N	237.362	4.617	0	10	BJAE	
CCC[C@H](CC)N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	1948597440	XQPACONUCCFYLG-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
CCC1(C[C@]2(N)CC(C)(C)CC[C@@H]2C)CCC1	1948980849	CTXMNVUNOPRIAA-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@H]2C=CCCCC2)C1	1949738906	XFERBWRPFYQEAN-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCC[C@H]2C2CC2)CC1	1966050330	ZMGSVXUBOGIVHP-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
C1=C[C@H](N2CCCC3(CCC3)CC2)CCCCC1	1966376983	OYAORQPQQCXOSG-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@H]1NC1CC2(CCCCC2)C1	1969583912	ZZGDKWGUIKJRDH-YCPHGPKFSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@H]1CCCC2(CCC2)C1	1969953158	AKZOYZQDJHCRHJ-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CC=CCCC[C@@H](NCC)C(C)(CC)CC	1984618092	HRPVBDAVFIVYPS-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCCCC[C@@H](CC)NC(CCC)CCC	1990045635	SQIZWBPOHWTLDS-CQSZACIVSA-N	227.436	4.904	0	10	BJAE	
CC=C(CC)[C@@H](CC[C@@H](C)CCCC)NC	1995258447	DQFUDKVNEZSMMA-DZGCQCFKSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1cscc1F	1995258559	FPJJCKHORMMZMH-ZWNOBZJWSA-N	244.375	4.527	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)CCC(C)(C)C	1995261596	GFWYFCXKPUHWGU-UONOGXRCSA-N	227.436	4.747	0	10	BJAE	
C[C@H](CCC1CC1)Nc1ccc2sccc2c1	1996359644	GKYGNUKSAWBOED-LLVKDONJSA-N	245.391	4.892	0	10	BJAE	
CC(C)Sc1ccccc1NC[C@H]1CC1(C)C	1996565061	XDQDTLRTKDYXBU-GFCCVEGCSA-N	249.423	4.645	0	10	BJAE	
CCCSc1ccccc1N[C@H]1C=CCCC1	1996573635	MTTIIHJKTUTGCT-ZDUSSCGKSA-N	247.407	4.709	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C=CCC2)CC1	1997106255	SLPDLNBDJNXPSQ-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@]2(C)CCCC2(C)C)C1	1997340320	FVEBUKGVJSPWSY-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@H](N[C@H](C)C2CCC2)CC1	1998639385	UORFTWCFUYTUQI-YCPHGPKFSA-N	237.431	4.514	0	10	BJAE	
CCC(C)(C)C(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21	2001495578	XMABVOYCSFQTNZ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CCC12CCC2)NCC	2001854946	RBLORQHQEPPWJW-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1ccc([C@H](N)CCCCC(C)(C)C)cc1	2003627920	NDKDWBAHNDOPHZ-OAHLLOKOSA-N	233.399	4.601	0	10	BJAE	
C=CC=CCC[C@@H](O)C1(C)CCCCCCC1	2004920003	FZCHMQMZTQABSN-OAHLLOKOSA-N	236.399	4.620	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@@H]1CCCCC12CCC2	2005595042	KSRNZEJGCOBTRA-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC=C(C)[C@H](NCC)[C@H]1CCC[C@H](CC)CC1	2007861570	OYCLNRZPVYHKQY-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC=CCCCC(=O)c1cccc2ccsc12	2009570246	YNUJUNAQKZXIEX-UHFFFAOYSA-N	244.359	4.830	0	10	BJAE	
C/C=C/CCC[C@@H]1CCCC[C@@H](NCCC)C1	2009618404	BHEQCRGCIKKQKH-BYQDXSGLSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCCC[C@@H](CC1CCCC1)NCC	2009618427	BNVGKWYTJGFDMR-WMHVBEDNSA-N	237.431	4.681	0	10	BJAE	
CC=CCCC[C@@H](N)C1(CC(C)C)CCCC1	2009618715	DZQGNODDTZJJPR-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
C/C=C/CCC[C@@H](NCCC)C1(C(C)C)CC1	2009628280	NJCHCZZKJSVYEW-KEDPEKRHSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@H](C)CC[C@@H]1NCCC	2009628370	NKFGXOJLRRIYDV-CLTGJZPWSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2010706487	UTKWUWSXAFAHNW-AEGPPILISA-N	237.431	4.523	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(O)C1=CCC(C)(C)CC1	2010716356	FDIGEVQUGITWNB-BBRMVZONSA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@@H](NCC)C1=CC[C@H](CC)CC1	2010721175	ZELBSDOQVVJQEQ-GOEBONIOSA-N	237.431	4.681	0	10	BJAE	
CCCCCC[C@@H](NC)C1=CC[C@@H](CC)CC1	2010765570	QFJIWJYKSVPMII-GDBMZVCRSA-N	237.431	4.681	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCCC12CC2)c1cccs1	2011272231	PXEYLTWTAFOYSY-TZMCWYRMSA-N	249.423	4.512	0	10	BJAE	
CC(C)C(C[C@@](C)(O)C1CCCCC1)C(C)C	2015285022	SFRRHUWEQMEIAI-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CCCC1(CN(C)C[C@@H](C)CC(C)C)CCC1	2015633024	MITNPJIALFUYFV-HNNXBMFYSA-N	239.447	4.571	0	10	BJAE	
CC(C)CCCCCC(=O)C1(CC(C)C)CC1	2015745877	QQJSUMBXBFFKTH-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C(C)C)C1CCC1	2016144505	JZNVMZCNNAVJRU-GDBMZVCRSA-N	237.431	4.536	0	10	BJAE	
c1cc(NC[C@]23CCC[C@@H]2C3)c2sccc2c1	2016320974	ZRCCRQKPZILFJX-IUODEOHRSA-N	243.375	4.503	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CCC)C(C)(C)CCF	2016759641	MBPWITWNZUKBPN-UONOGXRCSA-N	245.426	4.567	0	10	BJAE	
CC(C)(C)C1([C@H](O)C2CCCCCC2)CCC1	2017159243	UGHZWVVWLHFPLY-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2CC[C@H](C)CC2)CCC1	2017776779	UMBSVAIOSKAPMB-HDJSIYSDSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@@]1(CC)[C@@H](CNC(C)C)C1(C)C	2018133129	AIGICINCMIXZTF-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@@H](O)C[C@@H](C)CC(C)(C)C)CC1	2018967131	IJZWQTQFVSDECU-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H](C)C1CC(C)C1	2019345164	YGIKYWXWAALMJI-PCKAHOCUSA-N	239.447	4.569	0	10	BJAE	
CCCN(C1CCCCC1)[C@@H]1C=CCCCC1	2020536666	AXPGVJHUBGGUAA-OAHLLOKOSA-N	235.415	4.530	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)[C@H]1C[C@@H]1CC	2022255767	OTGIEVQXXOECAN-JYJNAYRXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)C(CCC)CCC	2022683203	KMAQSZXBPHBRHU-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@](C)(O)C[C@H]1CCCC(C)(C)C1	2024129122	SBPXNIDKSAQHRC-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CC(C)(C)C1(C)C	2025014341	HHYXIYOFSIDMHD-KGLIPLIRSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CC1(C)CCC1)NC	2026163333	JXQGDQJMGSOWEW-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@]1(N)C1=CCCCCC1	2026943347	VYPLCYGKFHFXDO-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2CC3CCC2CC3)CCCCC1	2027312913	AKDFURXFKCPJPD-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NC)c1ccccc1C(C)C	2027516964	BBBHKVVGJSGTLV-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
C[C@H](CC(=O)c1ccc(C(C)(C)C)cc1)C1CC1	2027624482	ISNYHCUSGPAPME-GFCCVEGCSA-N	244.378	4.603	0	10	BJAE	
CCNC[C@]1(CCC2CCCC2)CC=CC[C@H]1C	2027927241	VRGAAGBZHSKCIV-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCCc1ccc([C@H](N)[C@H](CC)C(C)C)cc1	2028252104	LWXUZNGZAMDMIF-SJORKVTESA-N	247.426	4.711	0	10	BJAE	
CC1(C)CCC([C@H](N)CC2CCC=CCC2)CC1	2028896835	GZNKBRFNZTWRMT-MRXNPFEDSA-N	249.442	4.667	0	10	BJAE	
CCC[C@H](C)CCN[C@@H](C)c1cc(C)ccc1C	2029966115	GECJZUQAIBDFNF-BBRMVZONSA-N	247.426	4.780	0	10	BJAE	
CCCC[C@@H](N[C@H]1C=CCCC1)c1ccccc1	2030355763	BGURTLNTOVPGJT-DLBZAZTESA-N	243.394	4.616	0	10	BJAE	
CC1CCC(NC[C@]23CCCC[C@H]2CCC3)CC1	2031807595	GLOABRYLIDQDOM-ODZFXCKXSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@]1(CNC2CC2)CCCC1(C)C	2032112398	QAAPDQFGVUYMFJ-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)c1ccc(C(C)(C)C)cc1	2032345347	BYKQUEOYGCNBBP-HNNXBMFYSA-N	247.426	4.666	0	10	BJAE	
CC(C)c1ccccc1C(=O)C[C@H]1CC[C@H](F)C1	2032945680	WWSKRCIGEIFBCP-STQMWFEESA-N	248.341	4.521	0	10	BJAE	
CC1(C)C[C@@]1(C)CNC1(C2CCCCC2)CCC1	2033049538	ZIRUIXCOFFDUCC-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C2C[C@H]3CC[C@H](C2)C3)C1	2033099146	BDUIKSBYDXGBCF-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CC1(CCN[C@@H]2C[C@H]3CCCC[C@@H]32)CCCCC1	2033211872	DMTDKGGKVRYWJE-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCC1)[C@H]1CCCCC1(C)C	2035576963	UQRPYKKHULEWRX-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCNC[C@@H]1CCCCC[C@@H]1C[C@@H]1C=CCCC1	2035602989	XTWOHNCFIAFCPX-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
Cc1ccc2c(ccn2CC2CC3(CCC3)C2)c1	2038078681	NEEAUQOPTLYLEI-UHFFFAOYSA-N	239.362	4.530	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H](C)C1)c1ccccc1	2038138953	PLNKTXIWVHLGQS-ZMSDIMECSA-N	245.410	4.554	0	10	BJAE	
CN[C@H](CCC1CCCCC1)[C@@H]1CCC2(CC2)C1	2038568594	RGBCUAHHYXGAAC-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@H]1CCC2(CC2)C1	2038575825	OIXAFVCNJYAGRA-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](N[C@H]1C=CCCCC1)c1ccccc1	2039031786	HXFMRJOJYNNBBY-DLBZAZTESA-N	243.394	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@](C)(N)C23CCC(CC2)C3)C1	2039871691	GMQRDRUKBOLWHI-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C=C1CCC2(CC1)C[C@@H]2CN)CC(C)(C)C	2040470654	BLUQPAUDLYJQMA-GZJFXKPMSA-N	249.442	4.524	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@H](C)C1)[C@@]1(C)CC=CCC1	2042017754	YHAPRRYZSXEOHW-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@H](C)C1CCC1)[C@H]1CC=CCC1	2042027585	OOXHUKKRZBLKCE-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)C2CCC2)CC=CCC1	2042094599	RLIWRZSEJOWVCG-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CC1(C)CCCC1)[C@H]1C=CCCC1	2043187808	OLPVPUPQCVCILE-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCN(CC(C)(C)C)c1cccc2ccccc12	2046581526	OUSZXTIBKLWMJM-UHFFFAOYSA-N	241.378	4.712	0	10	BJAE	
CCc1ccccc1OC[C@H]1CC12CCCCC2	2047056781	VZEVDQQRYWUSNM-OAHLLOKOSA-N	244.378	4.598	0	10	BJAE	
O=C(CCCC1CC1)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047426648	HISAUDGXCMTNGZ-BZUAXINKSA-N	248.410	4.742	0	10	BJAE	
C1CCC(CCCNC[C@@H]2CCC23CCC3)CC1	2047959032	NGCXRCAVANGLRF-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(C[C@H]2CCCC3(CC3)C2)C1	2049845120	HDIXOWJYFXDJFD-VYDXJSESSA-N	249.442	4.502	0	10	BJAE	
Cc1ccc([C@H](N)CC[C@H]2CCC[C@H](C)C2)cc1	2050427205	AWLLHXDLFKCWCM-ZMSDIMECSA-N	245.410	4.601	0	10	BJAE	
CN[C@@H](c1cocc1C)C1(C)CCCCCCC1	2052477977	IPDHZXLTQZSNAT-HNNXBMFYSA-N	249.398	4.599	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CCCC3(CCC3)C2)CCC1	2055541893	UBRDJUWDPXNSCB-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC1=C[C@H](N[C@@H](C)[C@H]2CCCC(C)(C)C2)CCC1	2055551640	IHHWPCYICMOYNX-HRCADAONSA-N	249.442	4.680	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H]1CCCC[C@H]1CC	2056872967	JAGSBUGWMXKZMU-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC(=O)[C@H](C[C@H]2CCC3(CC3)C2)CC1	2059003340	MZEHHQBZMCQFDF-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC(C)NC[C@]1(CCC2(C)CC2)CCC12CCC2	2059171822	KUYDKTHQEWONFW-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC=C([C@@H](CCC2CCCC2)NC)CC1	2061149108	AIHAFALRPHVLPB-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
C=C=CCC[C@@H](NCC)[C@@H]1CCCC(C)(C)CC1	2061565277	CCVANUVJYBKVDT-HZPDHXFCSA-N	249.442	4.692	0	10	BJAE	
C=C=CCC[C@@]1(CNCC(C)C)CCCC[C@H]1C	2061565309	CNPXVOSYXCJCDI-SJORKVTESA-N	249.442	4.550	0	10	BJAE	
CCC[C@]1(CC[C@]23CCC[C@@H]2C3)CCCCCN1	2061574498	IJQZCHLNKQIRAM-IXDOHACOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CC1CC(=C2CC2)C1	2061737018	MUDAPVFDCJDCJD-DOTOQJQBSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@]1(N)CCCCCC12CC2	2062019347	IKIYFFUOCKKYIK-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(C)c(C(=O)CCC[C@@H]2C[C@@H]2C)cc1C	2062630296	KXBDFTZNXJCVSP-DZGCQCFKSA-N	244.378	4.621	0	10	BJAE	
CC(C)(C)CC1CC(N[C@@H]2CCC23CCCC3)C1	2067982983	NJQTZVBMGAXTHU-YMAMQOFZSA-N	249.442	4.514	0	10	BJAE	
C[C@H](Nc1cccc(C2CC2)c1)[C@H]1CCC1(C)C	2068288746	SBMBUIICJWUZCF-BLLLJJGKSA-N	243.394	4.801	0	10	BJAE	
CCCC1(CN(CC)c2ccc(F)cc2)CCC1	2069267504	BZBZNUVHZBVYSW-UHFFFAOYSA-N	249.373	4.622	0	10	BJAE	
CCCC1(CN(C)[C@@H](C)c2ccccc2)CCC1	2069282165	HDGYNUIOZDQBAQ-HNNXBMFYSA-N	245.410	4.650	0	10	BJAE	
CCCC1(C=C2CCC(C)(C)C[C@H]2CN)CCC1	2069345654	XDQIDWMYLOLMQW-HNNXBMFYSA-N	249.442	4.668	0	10	BJAE	
CC(C)C1(CC2(N)C[C@H]3CCCC[C@@H]3C2)CCC1	2071941317	SBDZVEKSVDZABM-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1(CC2CCC2)CC1	2072420651	XDUJBVAWWSPIDF-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)[C@]23CCC[C@@H]2C3)CC1	2072799145	PNTMAHJZZVBKDA-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC(=O)[C@@]2(C)C=CCCC2)CC1	2072881520	KEKGDEBAPPPPSQ-DQPZFDDXSA-N	248.410	4.908	0	10	BJAE	
CCC1(C[C@@H](O)c2cccc(C(C)(C)C)c2)CC1	2074615478	ZTGPNVUDHSGUQL-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	2074645061	XLNJLXUTPVEQEL-JJXSEGSLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)N(C)Cc1cccc(C)c1	2074784244	GKPZZLOBGMNSJY-KRWDZBQOSA-N	247.426	4.642	0	10	BJAE	
C1CCC2(CC1)CC[C@@H]2N1CCC12CCCCC2	2075007758	CCCVANOPDCAVPB-HNNXBMFYSA-N	247.426	4.508	0	10	BJAE	
C[C@H](CN(C)[C@@H](C)CC(C)(C)C)c1ccccc1	2075135936	IDAHUNICTYBSLE-CABCVRRESA-N	247.426	4.547	0	10	BJAE	
CC1(CC(=O)[C@@H]2C[C@H]2C2CCCC2)CCCCC1	2079487937	SSFYWUNEQRXMEO-LSDHHAIUSA-N	248.410	4.742	0	10	BJAE	
NCC1(CC[C@H]2C[C@H]2C2CCCCCC2)CCC1	2079868140	YIJVQLUJYZQFOA-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)CC(C)(C)CC2(CC2)C1	2079886521	OWRVDSUZHUROKO-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCCC3(CC3)C2)C1	2082982882	OBTGEQIMIJQDOI-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)CC[C@H]3CC[C@H]2C3)C1	2082988316	UYYFIHLMUNYONW-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](Nc2ccccc2C2CC2)C1	2085320308	IVQMDJUOVKUXLF-LSDHHAIUSA-N	243.394	4.801	0	10	BJAE	
CCC[C@@H](CCCC(C)C)CN[C@H](C)CC	2212586928	DWODVEICPRFUHZ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCCC(=O)CCCC1C[C@H]2CCC[C@@H](C1)C2	2213301209	ZLHBERUZDYZULJ-YIONKMFJSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CC1=CCCC1)c1scc(C)c1C	2213652931	BEUJKAMQOYSUPO-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CCc1ccccc1CC=Cc1ccccc1	2213824777	KXZUNUMIEDTHIX-UHFFFAOYSA-N	222.331	4.505	0	10	BJAE	
CCCCCC[C@H](CC[C@H]1C[C@H]1CC)NCC	2215252027	PPNXULCNFBSYRS-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
Cc1sc(C(=O)C[C@H]2CC=CCC2)c(C)c1C	2215548023	VZBHJZMBUACEKD-ZDUSSCGKSA-N	248.391	4.602	0	10	BJAE	
CCCN[C@H]([C@@H]1CCC1(C)C)C(C)(C)CCC	2216283652	UQUQBXHSNTYLMZ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CCC(C)(F)F)CN[C@@H](C)CC	2217126471	UEDDURDXDMCKBD-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
C1=C[C@@H](Cc2cccc3ccoc23)CCCC1	2217511991	SVUNMZSZKNTHAW-CYBMUJFWSA-N	226.319	4.722	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218329147	APXCZCRKRZFPSC-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC1CC1)[C@]1(C)CC=C(C)CC1	2221618081	FRTZLMXGNUHHJR-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C2C[C@@H](C)C[C@H](C)C2)CC1	2221632387	QLBRMQVVNAJTRV-DIECFANBSA-N	249.442	4.523	0	10	BJAE	
CCC1CC([C@]2(CN[C@@H](C)CC)C=CCCC2)C1	2223574853	XFDCNWREYVVCKV-ZGRYLRDCSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H](C)NC[C@@]1(C2CC(C)(C)C2)CC=CCC1	2223595700	NQMVIYSFSDLRTQ-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)c1ccc2occc2c1	2224153621	PXHHZNKTNGADPD-WBMJQRKESA-N	245.366	4.505	0	10	BJAE	
CCC(C)(CC)C(=O)CCCC[C@@H]1C[C@@H]1C	2243065674	GQLHYBSZFGZFGA-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC(C)C1)CC(C)C	2246520267	TZHXRLWQBRCVTO-PCKAHOCUSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cc(C=O)cc(C2CCCCC2)c1	2247254029	BOCCMFVNPHKUEW-UHFFFAOYSA-N	230.351	4.670	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC1(C)C)C(CC)CC	2247308630	SCYSILUIEUIRGJ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCCC1(C[C@H](N)c2csc(C3CC3)c2)CC1	2248060295	DGOLFSHFCYAOCP-ZDUSSCGKSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](CCCCCC[C@H]1C[C@H]1C)NCC	2248813905	JHZLZHXEUUFPOR-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)CCCC1CC1	2248845840	QZWNKHVNERQQAZ-KBMXLJTQSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)[C@@H](CC)CCC	2250369189	UZBQMAAFTFCPAR-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC1CCC(NC[C@@H](CC)CCC)CC1	2250381523	OVMNLZCXMRNHRN-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)CNc1ccc(F)cc1CC	2250387645	QRVPNCQIGHVOFO-LBPRGKRZSA-N	237.362	4.626	0	10	BJAE	
CC=CCCC[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251718520	LYDMZXRFEXGQBF-CYBMUJFWSA-N	236.399	4.764	0	10	BJAE	
Cc1cccc2c1N[C@H](CC[C@H]1CC1(C)C)CC2	2253869587	JHBRJXJGFLYGIZ-GJZGRUSLSA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@@H]2CCC3(CC3)C2)C1	2253921434	OBTIKVGUNZGKPC-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H]1CCCNC12CCCC2	2254520309	HZWKKNMFTAFAEI-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(=O)CCCCC[C@H]2C[C@H]2C)cc1	2254526975	CCYZYAJJNHCHPD-ZBFHGGJFSA-N	244.378	4.784	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@]1(N)CCCCC12CCC2	2254603710	DBZNDORDZSHZOE-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCC[C@](C)(CNC1CC1)C[C@H]1CCC12CCC2	2254821828	MKSZLBUIRXXFCE-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(N[C@H](C)[C@@H]2CC23CCC3)cc1	2256452405	RTJGKLDTXJUJSU-CJNGLKHVSA-N	243.394	4.801	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCCC12CNC2	2259616054	RVYDEONFYQQEBI-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccccc1NC[C@]12CCC[C@@H]1CC2	2260574325	MJYFHUHGXNPHQO-RHSMWYFYSA-N	243.394	4.802	0	10	BJAE	
NC1(C[C@@]23CCC[C@H]2CC3)CCCCCCCC1	2260672470	PERLSMZYVJWMAL-HOTGVXAUSA-N	249.442	4.789	0	10	BJAE	
C[C@H]1CC=C([C@]2(N)CC(C)(C)CCC2(C)C)CC1	2261381004	KPRPFOQYQMFCIU-SUMWQHHRSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](CC1CCC1)C(=O)[C@@H](C)C1CCCCC1	2298942200	JTNUNMVENOZRQC-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@]1(CN)CCC[C@@H](CC)C1	2300700686	NPOAYZDDTWBCLA-CVEARBPZSA-N	239.447	4.748	0	10	BJAE	
Cc1ccccc1-c1nc([C@@H]2C[C@@H]2C)c(C)s1	2301187993	GWYXHMBVTUPXHM-GXFFZTMASA-N	243.375	4.550	0	10	BJAE	
CCc1cc([C@@H](N)CCC2=CCCCC2)cs1	2301900608	UNOOCTOQZLUZKC-HNNXBMFYSA-N	249.423	4.591	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@@H]3C[C@H]23)c(Cl)c1	2302916003	IOGWYGLJBIFTLC-DYEKYZERSA-N	249.785	4.639	0	10	BJAE	
CCC[C@H](C)[C@H](O)c1cc(C)ccc1C(C)C	2307511934	FGKPBZBMMUPBGN-BBRMVZONSA-N	234.383	4.588	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCCCC[C@H]1NCC	2307893827	JTUKVAGBCWXGOI-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1cc(C)cc(C)c1	2307901719	IYIHEJUTYGRGGQ-ZBFHGGJFSA-N	233.399	4.520	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@H]1CC[C@@H]2C[C@@H]2C1	2309402387	TZEJCLPSRKXYBM-FPCVCCKLSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(N)CCC[C@@H]3C[C@@H]32)CC1	2311022071	HCOKKUNRERNHPX-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1	2311525770	GSTKHZMNXKVRJV-QCEMKRCNSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@@](N)(C[C@@]23CCCC[C@@H]2CC3)CC[C@H]1C	2313353339	MJFLUKYRNUQABU-BPKGMFCQSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]([C@H](C)CC1CCC1)[C@]1(C)CC=CCC1	2313659979	HWQSPSFSUSSCGU-DJIMGWMZSA-N	249.442	4.537	0	10	BJAE	
CC(=CCN[C@H](C)c1ccoc1)CCCC(C)C	2316493340	WGMGWAWMRMIEDF-OAHLLOKOSA-N	249.398	4.703	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C1CC(C2CC2)C1	2316505320	ZDNBCPHPBZXPRS-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](C[C@H]1C[C@H]2C=C[C@H]1CCC2)NCC	2317159331	YLXHEARNIZONET-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1[C@@H](c2ccc3c(c2)CC[C@@H](C)N3)CC1(C)C	2318247068	FVGSJKBBQFLMMG-XUJVJEKNSA-N	243.394	4.583	0	10	BJAE	
C[C@@H]1CCC[C@](N)(CCCC2=CCCCC2)CC1	2318546455	SKJXYHAQHRHQNS-WBVHZDCISA-N	249.442	4.955	0	10	BJAE	
CC[C@@H]1CC=C[C@](O)(CCCC2=CCCCC2)C1	2318547477	BXFXPYRFKDZZQI-WBVHZDCISA-N	248.410	4.764	0	10	BJAE	
CCC1CC(CCNCCCC2=CCCCC2)C1	2318552012	UORJMORHJUBFIY-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C1=C[C@H](CNCCCC2=CCCCC2)CCCC1	2318588531	HDDCODDKWVFQAS-KRWDZBQOSA-N	247.426	4.603	0	10	BJAE	
CCCCN(CCCC1=CCCCC1)C1CCC1	2318598187	QEBSCBDQWNKNNI-UHFFFAOYSA-N	249.442	4.922	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CC[C@H]2C2CC2)C1	2319581614	QWLUJDVFKQJSHZ-OJLVUWQFSA-N	248.410	4.598	0	10	BJAE	
CN(C[C@H]1CCC(C)(C)C1)[C@@H]1C=CCCCCC1	2319889639	QLMXQTLNYOMBQU-JKSUJKDBSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@](CN)(C[C@H]2CC[C@H](C)CC2)CC1	2320259241	SEHJGCQKOBPXJZ-JQFCIGGWSA-N	249.442	4.668	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)C[C@@H]2C[C@H]2CC)cc1	2320378512	WGMQIKYDHNVLGF-RMHZUWNSSA-N	246.394	4.670	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)[C@@H]2C[C@H]2CC(C)C)CC1	2320393358	DYXGCSIGYGMZJV-HZMVEIRTSA-N	249.442	4.523	0	10	BJAE	
CC1=C(C)C[C@@H](CC[C@@H](N)C2CCCCC2)CC1	2320412438	JGSZYLCQLSLKCY-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCC1(C[C@H](N)c2cccc(C(C)C)c2)CCC1	2320519603	ZDFCUGVZIXWOEY-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H](C)[C@H](C)C(C)C)c1	2320578944	XKMDQJVYUXWYPE-CKEIUWERSA-N	248.410	4.772	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H]2CNC23CCCCC3)C1	2321632044	QYZWTQDHJICXFO-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)[C@H]2CC2(C)C)c1F	2327807581	IPZNTYQYZNAJRW-DGCLKSJQSA-N	249.373	4.796	0	10	BJAE	
CCC[C@H](CC)CC1CC2(C1)C[C@@H]1CC[C@H](C2)N1	2328267216	ZJWPIQZPNUDQSI-VPABYTGTSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(-c2cc3cccc(F)c3[nH]2)cc1	1517413	TVVPEOZCOMHAJE-UHFFFAOYSA-N	239.293	4.536	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CC=CCC2)c1	20547514	AHBIWOAWPJYXQE-AWEZNQCLSA-N	229.367	4.578	0	10	BJAE	
CCCCCN[C@H](C)c1ccc(C(C)C)cc1	21817312	AMYZLSDWRAZHEB-CQSZACIVSA-N	233.399	4.651	0	10	BJAE	
CCC(=O)c1ccc(-c2ccccc2Cl)cc1	26544118	YMETYBFPLIEOQD-UHFFFAOYSA-N	244.721	4.600	0	10	BJAE	
CCCN[C@@H](c1ccc(C)c(C)c1)[C@H](C)CCC	35572798	GSQQBTKMJBKZQB-RHSMWYFYSA-N	247.426	4.780	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C2CCCCC2)cc1	36164945	VCPHRUSNJUMINB-ZDUSSCGKSA-N	244.378	4.963	0	10	BJAE	
CC(C)c1cccc2nc(C3CCCC3)oc12	62529740	LXVLWWCHCVHGBG-UHFFFAOYSA-N	229.323	4.609	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@H](C)C[C@@H]1C	70112172	YYEWKYAUMFADIS-UVPYHEFZSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1cccc(F)c1C	70978219	PEEIYIJNFPLWOR-SWLSCSKDSA-N	235.346	4.515	0	10	BJAE	
CCCNC[C@@](C)(CCC)CCC(C)(C)C	71127736	ASBIOHLAJYVQKN-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
CCC1CCC(N)([C@@H]2CCC[C@H](CC)C2)CC1	71154199	DTJQKTHJZHYNID-PWUWZPNHSA-N	237.431	4.501	0	10	BJAE	
CCSc1ccccc1N[C@@H]1CC[C@H](CC)C1	80458326	IFBPUJMZAVKQKV-QWHCGFSZSA-N	249.423	4.789	0	10	BJAE	
CCCCCC(C)(C)[C@H]1CC[C@H](C)CC1=O	82865420	BREOHNSKPWYLCU-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1Nc1ccc(Cl)cc1Cl	83389612	LMJHGICVVLMYJZ-LDYMZIIASA-N	244.165	4.594	0	10	BJAE	
CC1CCC([C@@]2(O)CCCC(C)(C)CC2)CC1	86920061	QLOXHKCNRFOLHK-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@]1(N)CCC[C@H](C(C)(C)C)CC1	86956293	RVTTZZXUEHEFQN-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](CC)c1ccc(CC)cc1	92596518	RGLKZVXKGXMELN-IRXDYDNUSA-N	247.426	4.521	0	10	BJAE	
CCCCCC[C@@H](NCC)c1ccc(C)c(C)c1	97468331	JPGZWOFBPXGUEF-QGZVFWFLSA-N	247.426	4.924	0	10	BJAE	
CCC(CC)[C@@H]1CCCC[C@H]1CNC(C)(C)C	155682219	MQZDHKWTMFGDIP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(N[C@H]2CCC(C)(C)C[C@H]2C)ccc1F	155945778	YZFVATSHGQVNEQ-DOMZBBRYSA-N	249.373	4.761	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H]2CCC[C@@H](C)CC2)cc1	159909766	RQVXTGKKXARLCY-KMFMINBZSA-N	245.410	4.614	0	10	BJAE	
CCCC[C@](CC)(C(=O)O)C1CCCCCC1	167582483	PBIPPQBLNNXIOC-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
CCCCC[C@](C)(O)c1ccccc1C1CCC1	168802544	KHXGDRXHJDJGIJ-KRWDZBQOSA-N	246.394	4.742	0	10	BJAE	
CCCC[C@H](C)N[C@@H]1CCC[C@@H](CC)CC1	226517305	JRNQPBUZDIAKNF-RRFJBIMHSA-N	225.420	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)c2cc(C)cc(C)c2)C1	227389817	WKODMODCFVGYHY-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
Cc1cccc2c1NC[C@@H]2[C@@H](C)C1CCCCC1	235083339	FLSLKMYRGBZARG-XJKSGUPXSA-N	243.394	4.721	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC(C)(C)C[C@H]1C	300141244	RIHPUPXFKCOPCO-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)CCC(C)(C)C	300807845	FMCVMCQJDXYPKK-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@H](CCC1CCCCC1)C(C)C	302294927	YHSOMERXAZHIBF-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)CCC[C@H](O)c1coc2ccccc12	302343307	VHGHCINBPSODOS-AWEZNQCLSA-N	246.350	4.683	0	10	BJAE	
Cc1cc(C(=O)CCCC(C)(C)C)ccc1F	304133989	BFUAJLUSYAYEOU-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H](C)CC(C)C)C1	304173421	MGBDCGUQCZYPIB-ZNMIVQPWSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@H](CCCC(C)(C)C)C1	305951927	UVHAGGBQMHDRGI-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CCCCc1ccc([C@H](O)[C@@H](C)CCCC)cc1	306006467	LRCGIFBLXKNLSQ-WMLDXEAASA-N	248.410	4.889	0	10	BJAE	
CCc1sc2cccc(CC)c2c1Cl	306592235	ZIIONHGZFOEUPA-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CSc1cc(Cl)c2scc(S)c2c1	307107967	LPBZHQPNHQHLFT-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1ccsc1Cl	308351876	DOVPNDUNINPVGP-ONGXEEELSA-N	246.803	4.651	0	10	BJAE	
CCN[C@H](c1ccc([C@H](C)CC)cc1)C1(C)CC1	310614987	DRACSWSUBMOCLC-CZUORRHYSA-N	245.410	4.651	0	10	BJAE	
Cc1ccc2ccn(C[C@@H]3CCC[C@H](C)C3)c2c1	310819549	BJYPLTNSVQUNMW-DZGCQCFKSA-N	241.378	4.776	0	10	BJAE	
CCCC1(CNC(C)(C)C)CCC(CC)CC1	317850004	OHVSHAKSDHNPDP-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@]1(CNC(C)C)CCC[C@H]1C	318078572	PQEDFKYWCXRRGC-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CNC1CC1)C1CCCCCC1	318258030	BYGRJVZUVWYQOD-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCCN[C@@H]1CCCC12CCCC2	328260673	LHEZRMDTBIVRLT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)C[C@H]1CCCCN1	380003101	YMTRGMYMVNQLCW-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](CC)(CNC)CC1(C)CCCC1	380168941	MMVQYBOGTFYZAN-INIZCTEOSA-N	239.447	4.763	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(CCCC(C)(C)C)C1	382665918	DAZGXFWSGOVMBJ-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCCCC[C@@H](C)[C@H](C)NC(C)C	383172999	SNVWCIKAWUAXLJ-CABCVRRESA-N	227.436	4.616	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](O)CC1CCCCC1	383892663	VCDBSQVMLREUCK-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCc1ccccc1C(=O)C[C@@H](C)C(C)(C)C	384006793	IDPCCRIAOCUWLO-GFCCVEGCSA-N	232.367	4.504	0	10	BJAE	
CCCC(CCC)[C@H](N)C[C@H](C)c1ccccc1	385093301	GMTCYVXPXDQZOB-WMLDXEAASA-N	247.426	4.724	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CCC1=CCCCC1	385832013	UGFFXQXSHHMVFO-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCC2CCCC2)CC1	393960579	RDCMWWATYYNETL-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H](NCCCCC(C)C)c1ccsc1	394345882	JVSKGIDWZLFASG-CQSZACIVSA-N	239.428	4.615	0	10	BJAE	
CC[C@H](C)CCNc1ccc(C(C)C)cc1	394459716	QKUOKWDHIQTGNC-ZDUSSCGKSA-N	219.372	4.658	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1CCCC12CCC2	394776257	ONCKDECWLSCEPM-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CCC(C)(C)C)N[C@H]1CCCC12CCC2	394869142	RDTYCKDYFSTHEU-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](Nc1ccc2c(c1)CCC2)C1CCCC1	395675122	JAGZHZHXBWFWKC-KRWDZBQOSA-N	243.394	4.556	0	10	BJAE	
CCc1ccc2scc(C(F)F)c2c1S	396242865	NGKYVRAGPUDFEB-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1c(C(F)F)ccc2c(S)csc12	396244398	NLHQKBCIQKKAKC-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCc1ccc(S)c2c(C(F)F)csc12	396250321	SRNQDSOQZZRBPO-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
C[C@H](Nc1ccc2ccccc2c1)[C@H]1CC1(C)C	397645921	ZIACRQPHAXJAMV-BLLLJJGKSA-N	239.362	4.686	0	10	BJAE	
CC(C)NC[C@@H]1CCCCC[C@@H]1CC1=CCCC1	400663895	SYYGOXMYUHFNBM-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCC1([C@@H](O)CCCCCC(C)C)CCC1	687587075	HHCARCHBGFLXSC-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)CCCC1CCC1	688405813	RYYMTRQYWVAMQU-CABCVRRESA-N	225.420	4.501	0	10	BJAE	
CC(C)=CCC[C@H](O)c1cc2cc(C)ccc2o1	697580378	HCHRANBJHZOZRJ-AWEZNQCLSA-N	244.334	4.521	0	10	BJAE	
C[C@@H]1C[C@H]([C@@H]2CCCC[C@H]2C)c2ccccc2N1	704882327	ZXHRKSLWJPAXQR-IXYNUQLISA-N	243.394	4.801	0	10	BJAE	
CCc1cccc2ccn([C@H]3CCCC[C@@H]3C)c12	704974810	DQPPOCGEUKEXOR-BBRMVZONSA-N	241.378	4.955	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)[C@@H](C)CC(C)(C)C)C1	708313275	HFBXRQHBKYTTLX-XGUBFFRZSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@]23CCCC[C@@H]2C3)c(F)c1	709137289	ZANHBQWVONMMAG-XJKCOSOUSA-N	247.357	4.515	0	10	BJAE	
C[C@H]1CC[C@@](N)(C[C@H](C)CC(C)(C)C)C[C@H]1C	709142087	JBGQWVBOXDFXFT-HLPPOEQASA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC/C=C\CCNC(C)(C)C	711298932	HHSQKYIUOBMDDH-HJWRWDBZSA-N	225.420	4.537	0	10	BJAE	
CC[C@H](C)C[C@H](CNC(C)C)C1CCCCC1	711317638	CJXVWVXBKVMXPO-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@@H]1C[C@@H]2CCCC[C@@H]21	712378938	SQCBJJZHBNTWIE-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)C1CC(C)C1	718563551	BSXOBNSJFXFPSD-BCLQGDPASA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)C1CC2(CCC2)C1	718563925	GCJWCNBTQWLPTO-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](CCC(C)=C(C)C)C1	719176017	CCTKLFJDVBYWAV-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](NCC)[C@@H](CC)CC1CCCCC1	720427946	WMHOKFGDCSEJHM-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)C(C)(CC)CC	721753501	FLAGJINSSLZZGW-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CC(C)c1cccc(CN2CCCCC[C@@H]2C)c1	1193575510	NWGZLYOIPPFSAS-HNNXBMFYSA-N	245.410	4.575	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1ccc(C)cc1F	1620889926	PBDWBVOFHFLYML-ZIAGYGMSSA-N	247.357	4.538	0	10	BJAE	
CCC(CC)CC[C@H]1CCCCCC[C@H]1O	1900700710	JNZWHRPRCSAEDY-HUUCEWRRSA-N	226.404	4.534	0	10	BJAE	
CCCCCCS[C@](C)(O)CCCC(C)C	1904819528	ROJRWYYQYSUUAS-AWEZNQCLSA-N	246.460	4.835	0	10	BJAE	
CCC[C@@H](CC)C[C@H](C)c1cccc(N)c1	1905364035	XUCYQLZURXQJML-QWHCGFSZSA-N	219.372	4.589	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(N)CCC(C)(C)C	1905364643	ZPASSPQXUNEWRI-DZGCQCFKSA-N	227.436	4.747	0	10	BJAE	
CCCCC[C@H](C[C@@]12CCCC[C@@H]1C2)NCC	1909890822	CEVKVGBUPJMWGT-OAGGEKHMSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)NCCC=CC[C@@H]1CC2CCC1CC2	1912001360	HYKGAUUXAISFDX-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
CC=CCC1(CNCCC)CCCCCCC1	1912114299	XOERUGLHLMSQNS-UHFFFAOYSA-N	237.431	4.683	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC3(CCCCC3)C2)cc1	1915861385	BWYSCTRHTDBYHE-MRXNPFEDSA-N	243.394	4.910	0	10	BJAE	
CC(C)(C)CC[C@@]1(N)CCC2(CCCCC2)C1	1915901632	HHOMCPFBQZSYHX-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@@H](CC)CC1(CN)CC(CCC)C1	1921305667	NHNVTYRQRQXXLU-QQFBHYJXSA-N	239.447	4.748	0	10	BJAE	
C[C@@](CN)(CC1CCCCC1)C1CCCCC1	1924099378	KELDIWZUFOWXGJ-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
C[C@H](c1nc2cccc(Cl)c2[nH]1)C1CCCC1	1924110743	YBUVFSIHYWITOL-VIFPVBQESA-N	248.757	4.510	0	10	BJAE	
C[C@H](C1CCCC1)[C@@H](N)CCC1CCCCC1	1924114527	ZZBUSNOKWFVQSN-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](C[C@@H]2C=CCCCC2)C1	1925764127	VQDRVSSGCMMNOH-OAGGEKHMSA-N	248.410	4.908	0	10	BJAE	
Cc1cc(C)c(C[C@@H]2C=CCCCC2)c(F)c1	1925835942	QYYWGLPCEFBELT-CQSZACIVSA-N	232.342	4.731	0	10	BJAE	
CCC(CC)CCN[C@H]1CCC2(CCCC2)C1	1926163765	CYYNHPBRNHWZHT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
FC(F)=Cc1ccc(-c2ccccc2F)s1	1927575867	QNSLBMQMDWMFTR-UHFFFAOYSA-N	240.249	4.792	0	10	BJAE	
CC[C@@H](C(=O)C[C@H](C)CC(C)(C)C)C(C)C	1936211108	NZRGRXURIWEKOP-QWHCGFSZSA-N	226.404	4.700	0	10	BJAE	
CCC(CC)(CC)[C@H](O)[C@H](C)CCC(C)C	1937172885	DQWBZXAYAHSUEJ-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
CCCc1csc(C2C[C@H](C)C[C@@H](C)C2)n1	1937457894	MDGHPOCAQQMXGQ-GHMZBOCLSA-N	237.412	4.635	0	10	BJAE	
CCCC[C@@H](CC)C(=O)c1sccc1CC	1938208328	FLJIEXOJQVWORS-LLVKDONJSA-N	238.396	4.710	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@@H](C)C(C)(C)C	1940414577	JPPOVFDMDGJRBS-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CSc1ccc(C(=O)CCCC2(C)CC2)cc1	1940881236	LEBLSCBDMYNTHM-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCCC[C@@H](C)Nc1ccccc1C1(C)CC1	1944595852	HWQILXALYYAFJU-CYBMUJFWSA-N	231.383	4.729	0	10	BJAE	
O[C@H](CC1=CCCCC1)c1sccc1C1CC1	1945815163	QILSXTLGPSPYDS-CQSZACIVSA-N	248.391	4.549	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC(C)(C)CC(C)C	1947459725	JBDYBSABUZUZIL-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CC[C@H](C)[C@@H]1C(C)C	1947509193	CTEGERIXEWWQDT-JONQDZQNSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)C[C@H](C)CCC1=C(C)C	1948964882	SFODBMARCRAMIK-SQWLQELKSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(CC)[C@]1(N)C[C@H](C)CC[C@@H]1C(C)C	1949088512	WSVRJGSKTCANGR-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CC1(C)CC[C@@H]([C@](C)(O)CC2CCCCC2)C1	1949421315	LTCVIHDNRIVSJT-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCCC(C)(F)F)C(C)(C)C	1949827045	JNXUMKYYXWVXFW-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CC1(C)CCC[C@@H]([C@@H](N)CC2(C)CCC2)CC1	1950921097	BRFAFYHJZLKSET-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCc1ccc(C)c(C)c1	1963172496	BAYWWUZKEDYEQK-DYVFJYSZSA-N	247.426	4.608	0	10	BJAE	
CCC[C@@H](C)CN(C)Cc1ccccc1C(C)C	1964258014	DKFHIPDQDJOXRE-OAHLLOKOSA-N	247.426	4.678	0	10	BJAE	
Cc1ccc(F)c(O[C@H]2CCC3(CCCC3)C2)c1	1968646910	FBLAISQQGUBTIG-ZDUSSCGKSA-N	248.341	4.626	0	10	BJAE	
CCCCC1CC(N[C@H]2CCCC3(CCC3)C2)C1	1970497794	SDOKLMBRIUXFMH-PCKAHOCUSA-N	249.442	4.658	0	10	BJAE	
C[C@H](CN1CCCCCC[C@@H]1C)CC(C)(C)C	1970728654	WSFDFKYEJSTRMF-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCCC(C)(C)CN[C@H](CCC(C)C)C1CC1	1973163507	FTBVUKMQQOIARK-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
C[C@H](NCCC1CC2(CCC2)C1)C1CCCCC1	1973745032	SBANHLDJYRCERH-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@@H]1CCCCCC[C@H]1NCC	1980336867	OGDCYXDFSGYYPK-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
C/C=C/CCCn1ccc2cccc(Cl)c21	1984592631	FJGBUMYAMHHQLP-NSCUHMNNSA-N	233.742	4.651	0	10	BJAE	
C/C=C/CCCN[C@H](CCC)c1cccs1	1984613292	XYGHQEGXSIQDMT-MASHWEEQSA-N	237.412	4.535	0	10	BJAE	
C[C@H](CCCC1CC(=C2CCC2)C1)C(F)F	1985529171	NICUSYRMQAQPCB-SNVBAGLBSA-N	228.326	4.948	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CCCC(C)(C)C	1988780667	NCVRXFRASIPHMN-HNNXBMFYSA-N	225.420	4.667	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@H](C)CC(C)C	1990092114	VLJOSFVFIUWGHB-CABCVRRESA-N	228.420	4.780	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H]1C=CCC1	1995215577	WUPGBLUHSNYVFU-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](NC)C(C)(C)CC	1995262212	LOTAUGLUXHXTPW-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H](N)C2CCCCCCC2)C1	1996236550	HAFQUSNRYVTAEX-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](CCC(C)=C(C)C)NCC	1996612720	ZXHBFHOQDVIESY-OAHLLOKOSA-N	239.447	4.927	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)C2CCCCC2)CC1	1997116483	KZPSCINYPBJZEE-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@H](C)NC1CC(C)(C)C(C)(C)C1	1997806498	GBTHRMFKBOPHAP-ZDUSSCGKSA-N	239.447	4.760	0	10	BJAE	
Clc1cccc(NC[C@@H]2CCC=CCCC2)c1	1999995515	FXXHCZFLJGGARK-CYBMUJFWSA-N	249.785	4.888	0	10	BJAE	
CCCN[C@@H](CCC)C[C@H]1CCCC(C)(C)C1	2000176958	UTXOWMUBGJYYKT-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(CC)(CC)[C@H](C[C@@H](C)CC(C)C)NC	2000321457	CTPQKCJWKKBKBK-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
O=C(c1cccs1)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2001495721	ZFOROAWABJWEGS-YNEHKIRRSA-N	248.391	4.537	0	10	BJAE	
CCC(C)(C)CC(=O)CC1[C@H]2CCCCC[C@H]12	2002219332	GLLNREUMQYSMCU-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](O)[C@]1(C)CCCCC1(F)F	2002580619	CJHYUVJNNSDNBO-STQMWFEESA-N	248.357	4.533	0	10	BJAE	
CCC[C@@]1(CNC(C)(C)C)CCCC(C)(C)C1	2002979198	PCDHSZLPHARLJJ-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(O)[C@H]1CCC[C@@H](C)C1	2003005694	KJKQOIJUWWHPRZ-IJEWVQPXSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)CC2(C)CCC2)C1	2003016011	GHCPMRWGRAGBKG-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@H]1CCCC2(CC2)C1	2003198343	QPVLRFGIWWXVFC-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](NCCC)[C@]1(C)C=CCCC1	2003325371	XZNXEBBKLKOCRB-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCC1CCC(C(=O)[C@]2(C)C=CCCC2)CC1	2003326803	PPVKEYNEZMUOHJ-ZBCRRDGASA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@@H](CC)C(C)(C)C	2004227192	RGMGLBGPXBBYAV-CABCVRRESA-N	239.447	4.783	0	10	BJAE	
CCC1(C)CCC(N)(C[C@H]2CCC[C@@H]2C)CC1	2004343175	ZJMDICOJMSJDTB-QRNKSROTSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C[C@@H](C=C1CCCC1)NC)C(C)(C)C	2007934700	MUOQBHDLAZUYFN-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H]1CC[C@H](NCCC)[C@@H]1CC	2009248674	KBTGWHLFSUSZOT-OAGGEKHMSA-N	239.447	4.761	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1(C)CCCCC1	2009620341	ULAUJRXKWQMWSS-DRDHIDPGSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@H](NCC)C1CCCCCC1	2009636328	VXRSABSXZKYZIC-WMHVBEDNSA-N	237.431	4.681	0	10	BJAE	
CCCCC1CC(N)(CC2(C)CCCCC2)C1	2009786421	KGLDEVBTFRRLAR-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@@H](C)NC1CC(=C2CCC2)C1	2010820010	KXTMBLFDMRTMTH-CYBMUJFWSA-N	235.415	4.578	0	10	BJAE	
CC[C@@H](CCC(C)C)Nc1cccc(C)c1C	2013264159	KZAUJRGEHZGXGU-HNNXBMFYSA-N	233.399	4.930	0	10	BJAE	
CC[C@](O)(CCC[C@H]1CC1(C)C)CCC(C)C	2013269837	CCKPJSMDFKTESX-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CC[C@H]1CC(C)C	2013271021	NUVMGWWLJLGJOV-ARFHVFGLSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](N)(CC)CCC(C)C)C1	2013274156	MTMYIKOZWWPXGK-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@@H]1C=CCCCC1	2013274857	UWQIMUTUQZAEAA-CVEARBPZSA-N	238.415	4.700	0	10	BJAE	
CN[C@H](CC(C(C)C)C(C)C)[C@@H](C)C(C)(C)C	2015284103	KKGYXTSGSIOFGE-UKRRQHHQSA-N	241.463	4.575	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C[C@@H](C)C(C)C)CC1	2015335034	JKIMQEXKAOUGKJ-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CCC(C(C)C)C(C)C	2015347357	PMRSIZDLTUTELA-GDBMZVCRSA-N	241.463	4.704	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CCC(C)(C)C1CC1	2016139148	ZXSLDYKODQAEQY-INIZCTEOSA-N	238.415	4.700	0	10	BJAE	
CCC1(C)CC(CN[C@@H](C)CCC=C(C)C)C1	2016143863	HIMCGERZYSPEML-FHERZECASA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CN(C)C[C@H]1CC[C@H](CC)CC1	2017642849	MYVWDKALALWXRS-SHTZXODSSA-N	239.447	4.571	0	10	BJAE	
CCCC1CCC(C[C@](C)(O)C2(C)CC2)CC1	2017647575	GYRNSJNLYVQNKD-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@]12CCCC[C@@H]1C2	2018588857	XWSYFKRZVBZSAW-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCC[C@@H]2C(C)C)CC1	2018974266	KPKMSGBMEMENPR-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
Cc1cscc1N[C@@H]1CCC[C@H]2CCCC[C@@H]21	2023000162	ZOEWCMQCXKDZTO-HZSPNIEDSA-N	249.423	4.827	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CC[C@H]1CC1(C)C	2026081946	NGIOIXIRNADJOV-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@H]1CCC1(C)C	2026170147	NQXXIVSWTXGMSN-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](c1cc(C)cc(C)c1)[C@@H](C)CCC(C)C	2029827368	XENJQUHSTZOQID-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CC[C@@H](C)[C@@H](NC)c1ccc(C2CCCC2)cc1	2031750215	PTUWGQHBTMALLJ-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
C=CC=CCC[C@]1(CNC(C)C)CCCC1(C)C	2032102877	FJULJDDWUPAKCD-QGZVFWFLSA-N	249.442	4.703	0	10	BJAE	
CC1(c2ccccc2NC[C@@H]2CC=CCC2)CC1	2032242646	KRGCXSXIBKJDKI-CQSZACIVSA-N	241.378	4.506	0	10	BJAE	
CC(C)CC1(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CCCC1	2033487365	YDXHMHSQHAWMOU-FICVDOATSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H](C2C(C)(C)C2(C)C)c2ccccc2N1	2034040521	WWHCNDKKWJBNJD-YPMHNXCESA-N	243.394	4.657	0	10	BJAE	
CCc1ccc(CC)c(NC[C@H]2C=CCCC2)c1	2035597020	FGVMLQSSCCWGNX-HNNXBMFYSA-N	243.394	4.580	0	10	BJAE	
CCC[C@@H](N[C@H]1C[C@@H]2CCCCC[C@@H]2C1)C1CC1	2035860147	MBOPZSLXFSZERK-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1[C@](C)(O)[C@H](C)CC(C)C	2036383681	PFLWOVTTZHDCSD-RHSMWYFYSA-N	248.410	4.529	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CC1CCC=CCC1	2037210246	VBKRXLWJUBISKU-IXDOHACOSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CC[C@@H](C)C[C@]1(N)C[C@H]1C=CCCC1	2037304841	JKVAHEKKWFOJNA-TWMKSMIVSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC[C@H]([C@]2(N)C[C@H]3CCCC[C@]3(C)C2)C1	2037589574	GDRJYTPPFKFXDK-WTTBNOFXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@@H]2CC23CCCCC3)C1	2039059584	VPWLEBKTZIVECD-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC[C@H]2C[C@@H]2C2CC2)CC1	2039369477	JQMPNUXZSRCZFP-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCc1ccccc1NC[C@@H]1C(C)=CCC[C@@H]1C	2039448879	WBNXBLRVVXCXOL-GOEBONIOSA-N	243.394	4.653	0	10	BJAE	
CC1(C)C[C@H]1CCC[C@](C)(N)C12CCC(CC1)C2	2039847469	RWVAEMXGMZZCHZ-HTUOJYHCSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@H](C)C23CCC(CC2)C3)ccc1F	2039866421	YJBXIEBLOLTDOZ-VEAWUBTESA-N	247.357	4.515	0	10	BJAE	
CC[C@H](NC[C@@H]1CCC[C@H](C)CC1)c1ccco1	2041383831	QMLBEEFUDXNWRS-ZNMIVQPWSA-N	249.398	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@H](Nc2cc(C)ccn2)CC1	2041499865	QURFRMVJNFXTRK-CABCVRRESA-N	246.398	4.551	0	10	BJAE	
CC(C)NC[C@]1(CC[C@@H]2CC2(C)C)CC=CCC1	2042093505	HYHYGDYQQDOFFP-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC(C)CC[C@H](C)C(=O)c1ccc([C@H]2C[C@H]2C)o1	2045559812	FAEWACHRESEACM-XQQFMLRXSA-N	248.366	4.658	0	10	BJAE	
CC=C[C@H](NCCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047405371	BIPJFFBATNSBFH-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@@](N)(C[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048443916	VMGXGSCDHXDJMJ-SIRPWMCASA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1CC12CCCC2)[C@@H]1CCCC(C)(C)C1	2049539220	FPIPJUHZOZJIGF-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CC2)CC1(C)CCCC1	2049804501	NURLJFJFTQMNEH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@H](N)CC2CCC3(CC2)CC3)C1	2049850004	UWHDWQLFQZSPJT-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]([C@H](N)C[C@H]2CCC3(CC3)C2)C1	2049935709	LTLHYCYBRMPIEE-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@H]2CCC3(CC3)C2)CC1	2049955052	RDLUFYOITNBUJW-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCc1cc(N[C@@H]2CCC[C@H]3CC[C@H]32)ccc1C	2052287314	XGBDPNWNESZUEA-USXIJHARSA-N	243.394	4.548	0	10	BJAE	
CCNC[C@@]1(CC2=CCCC2)CCCCC1(C)C	2053383588	KLFFEVSEVSPZJJ-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CN[C@H](CCC1CCCC1)[C@H]1CCCCC12CC2	2053412961	RLMJOWGBLYXCGD-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CC2C[C@@H](C)C[C@H](C)C2)C1	2054989982	YZDMSSYWKGFOOH-LJIGWXMPSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CCC(C)(C)C[C@@H]1N[C@@H]1C=CCCC1(C)C	2055523483	ANGBJZKGSBSEPS-QLFBSQMISA-N	249.442	4.536	0	10	BJAE	
CC[C@H](N[C@@H]1C=CCCC1(C)C)C1CCCCC1	2055527065	MQHWVHPPRFOPBB-JKSUJKDBSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1CCCC(C)=C1C	2055553603	AMNWIRRPXJDXQI-IXDOHACOSA-N	249.442	4.824	0	10	BJAE	
CN[C@H](C=C1CCCCC1)[C@@H]1CCC[C@@H]1C(C)C	2056884237	SRIXNMLWQVSUIT-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCCCCC1CC1)C[C@@H]1CCC[C@H]2C[C@@H]21	2057361897	UBONEUQNBLAUTL-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@H](C)[C@H](NCC)c1ccccc1	2059252024	DOYZADAKYUQFFI-WBVHZDCISA-N	245.410	4.720	0	10	BJAE	
C=C=CCC[C@H](NCC)[C@H]1CCCC(C)(C)CC1	2061565276	CCVANUVJYBKVDT-HOTGVXAUSA-N	249.442	4.692	0	10	BJAE	
CCN[C@@H](CC1CC(=C2CCC2)C1)C(CC)CC	2061721004	QQMYDSAJDWSKAR-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(CC(=O)C2CC(=C3CCC3)C2)CC1	2061730819	MSDYMZZNOQWOAU-UHFFFAOYSA-N	246.394	4.662	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CC[C@H]2C[C@H]1C2(C)C	2070398410	MBFVDESEPUMPQS-JONQDZQNSA-N	249.442	4.536	0	10	BJAE	
CC(C)(CCF)C(=O)c1ccccc1C1CCC1	2071372943	QBOBSWLFGAMLJD-UHFFFAOYSA-N	248.341	4.523	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@@H]2CC23CCCC3)CC1	2072794181	RCBYKCHWFBPQEC-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(CC2(N)CC3(CCCC3)C2)CC1	2072805185	ADZKVCKVEIGUSD-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCC1CCC(C[C@@H]2CC[C@@H]3CCC[C@@H]3N2)CC1	2072813990	XZYNFXYXRAPVOP-YOTSKQKMSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)C1CC2(CC2)C1	2074633459	CWBJNNYTBKTHPV-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	2074645060	XLNJLXUTPVEQEL-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCCCc1ccc(-c2cc(O)cc(F)c2)cc1	2077926903	GMVOGKUXJMJQER-UHFFFAOYSA-N	244.309	4.541	0	10	BJAE	
CCC[C@H]1C[C@@H]1CN1CCCCC12CCCCC2	2079891856	WLVFLJPPRMPYNJ-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCC1(CC)CCC(N(C)CC=C2CCC2)CC1	2081798075	MHOYPWOHEACMFM-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
CC[C@@H](C)c1ccc(O)c(C(=O)C(C)(C)CC)c1	2082437216	ZMWBNLRGBKPJHR-LLVKDONJSA-N	248.366	4.525	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2C(=O)C[C@H]3CC[C@H]2C3)C1	2082981158	BAJGQNOFTNMPPA-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
Cc1ccn([C@@H]2CCC[C@@H](C(C)C)CC2)c1	2211148686	KMAHTNUKBCNGBC-HUUCEWRRSA-N	219.372	4.574	0	10	BJAE	
CCCNC[C@]1([C@@H](C)CCC)CC=C(C)CC1	2215841342	XXWOBNGRBOIWBJ-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
COc1c(C[C@@H]2C=CCCC2)cccc1C(C)C	2218072401	ZSWPRTIZBMVMSY-CQSZACIVSA-N	244.378	4.717	0	10	BJAE	
CC1(C)CC(C)(C[C@H](N)[C@H]2CCCCC23CC3)C1	2221015043	FTYNOVBOVFJJHT-KGLIPLIRSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(C[C@@]2(CN)CCCC23CCC3)C1	2221028199	NQDGCLWVTLXYGZ-QGZVFWFLSA-N	249.442	4.502	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCC[C@H]2CC2(C)C)CC1	2221645386	XQUWIDDAJIQZEN-YOEHRIQHSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC[C@H]1CC=C(C)CC1	2221668074	NVBHRPIWJCHWRJ-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@@]1(CNC2CCC2)CC=CCC1	2223542049	NTWUEWXNAZNEPJ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC1=CC[C@@](CNC2CCC2)(CC(C)(C)C)CC1	2223604641	OHTAKSUACDWYOZ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](O)c1cccc2ccoc12	2224198943	XTZWPKKSWXPXPX-DOMZBBRYSA-N	246.350	4.539	0	10	BJAE	
C(=Cc1ccccc1)C[C@H]1CCc2ccccc2N1	2226216957	LKTITRFEEFVDMD-KRWDZBQOSA-N	249.357	4.517	0	10	BJAE	
CCC(CC)CC(=O)CCCC[C@H]1C[C@H]1C	2243053726	WSVQBSDHORTCPM-OCCSQVGLSA-N	224.388	4.598	0	10	BJAE	
Cc1sc(C)c(C(=O)CCCC(C)C)c1C	2243624333	FGANWCPNSOHFFZ-UHFFFAOYSA-N	238.396	4.682	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@](C)(O)CC(C)(C)C)C1	2246687101	LWTXOCAUEDTVOC-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@H]2CC[C@@H](C)CC2=O)C1	2246696377	WYRXCYUMBUMQSG-LJISPDSOSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@H]1CCCCCCC[C@@H]1O	2247309705	WTLNREAYPRMOSF-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](N)c1cc(C)c2sccc2c1	2248578317	MTLQSDVSOMJWNR-CQSZACIVSA-N	247.407	4.790	0	10	BJAE	
CCCC(N)(CCC)CCCCC[C@@H]1C[C@@H]1C	2248879339	MEZGZLLDCNVVJJ-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC1CC2(CCCC2)C1	2250362338	UIIDCANVIWJLHJ-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CCC[C@H](N)CC(C)C	2250478825	MRJHWIHPKMGRFV-HOTGVXAUSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CCC[C@@H](O)C1	2250482536	VGHSZPMYPSOYQV-HRCADAONSA-N	240.431	4.780	0	10	BJAE	
CCCCCC[C@H](O)C[C@@]12CCCC[C@@H]1CC2	2251175746	NXUZKAPFCWOSNA-PMPSAXMXSA-N	238.415	4.678	0	10	BJAE	
CC=CCCC[C@@H]1CCC(C)(C)[C@@H]1NCCC	2251702462	RSAMEGIMJMKTCM-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
O=C(CCC1CCCC1)C[C@H]1CCCCC12CC2	2253780316	FXDOHCXOSSGSLO-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC1(N)CCC(CC[C@H]2CCCCC23CC3)CC1	2253886024	HWAVQFYTTCWOFH-HWOWSKLDSA-N	249.442	4.645	0	10	BJAE	
CC(=CCCNC1CC1)CC[C@@H]1CCC[C@@H](C)C1	2253963488	QEODCVJPVLNIJU-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C2CC3(CC(C)C3)C2)CC1	2254452878	GOZCDUNGWAZSJW-CQUJLFGMSA-N	249.442	4.501	0	10	BJAE	
CCN(CCCC[C@@H]1C[C@@H]1C)c1ccc(C)cc1	2254588970	UFERRPVYGOSNEM-JKSUJKDBSA-N	245.410	4.648	0	10	BJAE	
CC[C@H](C)c1cc(CNC2CC2)cc(C(C)C)c1	2254727330	VVPZKNWIANKIAI-ZDUSSCGKSA-N	245.410	4.576	0	10	BJAE	
CC1(C)CC[C@@H]1CNC1(C2CCCCC2)CCC1	2254976166	LFVCZLNDDMNMHX-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C[C@H]1CCC12CCC2	2255029114	QONHGXGMXKRNHK-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CCCC12CC2)C1(C)CC1	2255292942	ZQFYRYDVMNQBNG-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H]1CCCNC12CCC2	2257361896	OTHOEUWYGQLWBQ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@@H]1C[C@@H]1CNc1cccc(C(C)(C)C)c1	2257904795	DCFYGLZVBYJNFR-CJNGLKHVSA-N	245.410	4.688	0	10	BJAE	
CCCCc1ccc([C@@H](O)[C@@H](CC)CCC)cc1	2259445499	VNFRSILUJQCGNY-RDJZCZTQSA-N	248.410	4.889	0	10	BJAE	
C1CCCC(NC[C@]23CCCC[C@@H]2CC3)CCC1	2260547687	XCVVSMYUHKEICL-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CCCC[C@@H]1NC[C@]12CCCC[C@H]1CC2	2260551836	WVFQYXDTMLDQJG-YQQAZPJKSA-N	249.442	4.515	0	10	BJAE	
CCC1([C@H](N)C[C@]23CCCC[C@H]2CC3)CCCC1	2260582967	MEMNOYHBJVYLAQ-ZMSDIMECSA-N	249.442	4.645	0	10	BJAE	
CC(C)C1([C@H](N)C[C@@]23CCCC[C@H]2CC3)CCC1	2260601251	ICTVTDVYAOVDDO-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)C[C@@]12CCC[C@@H]1CC2	2260674539	VNKZZIKLLXEXNM-NCOADZHNSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@]23CCCC[C@@H]2CC3)[C@H](C)C1	2260678183	JUUGGJVLJFNAQC-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](C[C@H]2CC=CCC2)C1=O	2261437501	BHYNDWXYMOYVIE-KBPBESRZSA-N	248.410	4.764	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@@H]1CCC2(CC2)C1	2300471171	GYIGIPLLDGRDAI-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C1(CC)CCCC1	2300873311	YOHZXGQSEWTXBH-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC(C)=CC[C@@H](O)C1(C)CCC(C)(C)CC1	2300878790	BPDFOEGZKTYRFV-CQSZACIVSA-N	238.415	4.700	0	10	BJAE	
CC1CC(CC[C@H](O)CC2CCCCCC2)C1	2301134374	XPIOYOAYLSIYRF-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(CC2CCCCCC2)C1	2301143756	XAQQPXQAMUIVKY-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(O)CC1CCCCCC1	2301206392	BBVFITCAJDQNIY-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CC(=O)[C@@H]1CC(C)(C)[C@H]1C)C(C)(C)C	2302149138	YNDMNTGIBMQOGZ-YNEHKIRRSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)[C@@H]1CC(C)(C)[C@@H]1C	2302156124	RLQCEGAXTCPIBE-YJNKXOJESA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)CCC[C@@H]1CC1(C)C	2302613526	RQYQHOLKMAYGCW-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCOc1cccc(F)c1CCC(C)=C(C)C	2302783959	AGZKOJGNNDDBLC-UHFFFAOYSA-N	236.330	4.513	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@@H]1CC[C@H]1C(C)(C)C	2303394761	IFVIUJLBNZLGBO-KFWWJZLASA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CC[C@H]1C(C)(C)C)NC	2303476602	SNKYAYNEGFMVHT-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@H](CCCCNCC(C)C)CC1	2303575926	QQZKCQSIAGYRNX-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCN(CC[C@H]1CCC(C)(C)C1)CC(C)(C)C	2304405886	PIJUKEDZRVZQCF-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCCCC[C@@H](CC[C@@H]1CCC(C)(C)C1)NC	2304436910	OGXZIUIFURJTAT-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(N)C[C@@H]2CCCC[C@@H]2C1	2307828550	KBMOSBLTGXTHBL-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CC=C(CC)[C@@H](C[C@H]1CCC[C@@H]2C[C@@H]21)NCCC	2311328745	SKRQBQCLKIBXPL-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)[C@@H]1C[C@H]1C(C)(C)C	2311518026	CSAWNWISXOPDIN-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC1CCC1)c1ccco1	2313700163	YGFBFQQTCPGPFM-DZGCQCFKSA-N	249.398	4.537	0	10	BJAE	
C[C@H](CC1CCC1)[C@H](N)C[C@H]1CCCCC12CC2	2313705352	SIXHUHKPOMCEAA-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CCc1cc(C(=O)C[C@@H](C)C(C)(C)C)ccc1C	2314698554	AALGERWKLMANLS-CYBMUJFWSA-N	246.394	4.812	0	10	BJAE	
CCC(CC)CC[C@@](N)(CC)c1ccc(C)cc1	2316277136	GWSGRXCVFSHLOC-KRWDZBQOSA-N	247.426	4.775	0	10	BJAE	
CC(=CCN1CC[C@H]2CC[C@@]21C)CCCC(C)C	2316514361	DAMSMPYYJCGGJR-SJORKVTESA-N	249.442	4.633	0	10	BJAE	
CC(=CC[C@H](N)[C@@H]1CC2CC1C2)CCCC(C)C	2316584243	WMAIJJAZUBZRKO-BACDZXNISA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)C[C@](C)(N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317126362	GPEPPPLHAYXEDE-PNBKFKSVSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@H]1CCC[C@@H]1C	2317921947	DIXOYJWMCLKBTQ-STQMWFEESA-N	249.373	4.797	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cc(C)c(O)c(C)c1	2318435550	QIHNHAZPAZEXAS-CQSZACIVSA-N	249.398	4.780	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)CC[C@H]1C1CCC1	2318544021	UUDFPUCNKJJIKK-DLBZAZTESA-N	247.426	4.565	0	10	BJAE	
C[C@H]1CCC[C@](CN)(CCCC2=CCCCC2)C1	2318584338	ZHRBYJAAOPDJQQ-RDJZCZTQSA-N	249.442	4.812	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCCC[C@H]2C[C@H]21	2319261363	NSULCIWJDSXURH-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc(F)c1C(=O)C[C@H]1CCC(C)(C)C1	2319287439	WLAJAKCEGGTSMT-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
O=C(CCC1CCCC1)CC[C@@H]1CC[C@H]1C1CC1	2319691547	ZKQLOEADLSTZRD-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](C=C(C)C)c1cccc(C2CCC2)c1	2320658804	RJVGJNPQOSNEPG-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC(C)(C)C1(C(=O)[C@H](CC2CC2)C2CC2)CCC1	2320777387	WTQPALRVTKHJBH-CQSZACIVSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCC[C@H](CC)C2)c1	2321078237	CPUDBAMTLHFCTN-SWLSCSKDSA-N	249.373	4.769	0	10	BJAE	
Cc1coc(C)c1C(=O)CC[C@H]1CCC(C)(C)C1	2321624207	FEHJNDSPBAFXLI-ZDUSSCGKSA-N	248.366	4.686	0	10	BJAE	
CC[C@H](C)C[C@H](NC)c1cc(C)ccc1C(C)C	2327681942	OIMVRQMNPGBNGZ-GUYCJALGSA-N	247.426	4.815	0	10	BJAE	
CCc1cccc(CC)c1NCC1CCCCC1	41296568	OHZWIWLYBHGVBL-UHFFFAOYSA-N	245.410	4.804	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](c1ccccc1)C(C)C	69372701	ZKJJZDLBHMGVFA-DLBZAZTESA-N	247.426	4.942	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccc2ncccc2c1	69378919	XUADBABEDLUSTL-CQSZACIVSA-N	242.366	4.616	0	10	BJAE	
CCCC(CCC)NCCC1CCC(C)CC1	70538366	WIASGCAOBVYCTB-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCC[C@@H]1C	71084929	YIZHXKVRUVZTPZ-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)c2cc(C)cc(C)c2)C1	71154009	NWGHLCVHYXUPRR-INMHGKMJSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc(Sc2cccc(Cl)n2)c(C)c1	82461746	LGHRTEMETVMVTL-UHFFFAOYSA-N	249.766	4.503	0	10	BJAE	
CCCC[C@H](CC)CC[C@H](C)CNC(C)C	84128973	NZQCNCNNLWBFEO-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](C)CC(C)(C)[C@@H]1CCC[C@@H](CC)C1	84417165	UTSAFWIIEORJDZ-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)C)C1CCC(CC)CC1	85080162	RUQNMQBTLPZIQX-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@@H](CC)[C@H]1C	86092228	OVRSDWGQKIMRRN-CQJMVSDSSA-N	239.447	4.616	0	10	BJAE	
Cc1cc(N[C@H]2CCCC(C)(C)CC2)ccc1F	86908491	CBUVNWHCOHSTBU-ZDUSSCGKSA-N	249.373	4.905	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1cscc1C	87288195	GRINEBBGPGIFQK-TZMCWYRMSA-N	240.412	4.696	0	10	BJAE	
CCCCCC[C@H](C)NCC1C(C)(C)C1(C)C	92804344	TWYYDKLKGWWUSY-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)c1ccc([C@@H](C)CCC)c(N)c1N	95930833	MIZDJFUBTLMGHJ-RYUDHWBXSA-N	248.414	4.658	0	10	BJAE	
CCCCCC[C@H](NCCC)C1CCCCC1	109726857	CEWDVENOMVWANV-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CCC[C@@H](C)C[C@](C)(CCC)CNCC(C)C	110203733	XSFCOBUNCUCUKZ-CVEARBPZSA-N	241.463	4.865	0	10	BJAE	
CCCCC1CCC([C@@H](NC)C2=CCCC2)CC1	110229728	LEPLJXVOCLVHKG-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
C/C=C/c1ccccc1Oc1ccnc(Cl)c1	111465246	FSZKNKZWIGRMDU-GORDUTHDSA-N	245.709	4.560	0	10	BJAE	
Fc1ccccc1-c1cccc2cccc(F)c12	112733524	KRWUURFUBHMNQM-UHFFFAOYSA-N	240.252	4.785	0	10	BJAE	
CC1(C)CC(C)(C)CC(N)(CC2CCCC2)C1	125000922	HZMDLVIGXJTCFZ-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C2CCCCC2)C1	146218614	LIYXGDVHKLFLSF-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](CCC1CCCC1)CC1CCCC1	162734123	BJPYPQMXJVXRNH-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1cccc(C)c1C	163452843	RFMOSDOPSPJCDH-GDBMZVCRSA-N	233.399	4.520	0	10	BJAE	
CCC[C@H](C)[C@H](O)c1ccc(C(C)(C)C)s1	165597789	YNPVXNWVJUCDNC-GWCFXTLKSA-N	240.412	4.515	0	10	BJAE	
CCCN[C@H](CC1CCCCC1)C1CCCC1	169130143	OYSDELNKJJSTTE-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CCC)N[C@H]1CCCc2occc21	226005369	ZMVAMBVCKKKJCL-HIFRSBDPSA-N	249.398	4.606	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C(CCC)CCC	229551528	KGSIAKXAHSRTHL-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](CC1CCC1)NCC	232177873	FEUDZSGMWGBFTI-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)c1ccsc1C	300865690	CZGUHQPYHSHPLL-SMDDNHRTSA-N	239.428	4.533	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1CCC(F)(F)C1	304161064	LOPXXIHKPLVFKI-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CCCC(C)(C)C)c(C)c1	305913989	JNDOOZMHRJZCOT-HNNXBMFYSA-N	247.426	4.828	0	10	BJAE	
C[C@H]1CCC[C@H](CCNCCCC(C)(C)C)C1	305948717	UAXHYUSNTPZVCT-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]([C@H](O)c1cccc(C2CCC2)c1)C(C)(C)C	305952721	AJWBRRXLQMFRMV-LRDDRELGSA-N	246.394	4.670	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)c1cccc(C2CCC2)c1	306053791	USFPUUPHGKQWFT-DYVFJYSZSA-N	245.410	4.780	0	10	BJAE	
CCc1ccc(N[C@@H]2/C=C/CCCCC2)cc1	306057409	XYEYCMZKGHUJFO-PMGBHYCQSA-N	229.367	4.550	0	10	BJAE	
CSc1ccc(Cl)c2c(S)csc12	306899401	DKMLRAOHPTULBP-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CSc1cc(S)c2c(Cl)csc2c1	306915206	UJROVJDCXXCDKK-UHFFFAOYSA-N	246.809	4.565	0	10	BJAE	
CSc1cc(Cl)c2scc(Cl)c2c1	307212039	OIFLVVZNUAZOCR-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)c1cccc(CC)c1	308041221	AJAWQQQPGAWRAQ-WBVHZDCISA-N	247.426	4.711	0	10	BJAE	
CCCCCC[C@@H](N)[C@@H](CCC)CC(C)C	308050316	KUQUEPLIVPOIOH-LSDHHAIUSA-N	227.436	4.747	0	10	BJAE	
CCCN[C@@H](CC)CCCC1CCC(C)CC1	310488432	GPDQPXDANYKPSU-GPANFISMSA-N	239.447	4.761	0	10	BJAE	
CCCC1(CNC(C)(C)C)CCCCCCC1	318691232	OIYBBDRJXCLJNM-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCCNCC1([C@@H](C)CC)CCC(CC)CC1	318842008	YTWRJZZJRJHGLK-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)[C@H](C)C(C)C	319077495	ZNVYBDZOQJTUJY-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc([C@H](O)C(C)(C)C2CCC2)cc1	322688780	NZHHJOCSHKGTMH-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
CCCNC[C@@H](CC)C[C@@H](C)C1CCCCC1	379966376	FUJAQRYTGKKHBG-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)c1csc(-c2csc(C)c2)n1	381315629	VBHBWMNFWZXAMG-QMMMGPOBSA-N	237.393	4.694	0	10	BJAE	
Cc1ccccc1N[C@H](C)[C@@H]1CC2CCC1CC2	382101720	JZPOFIJLPDYIQN-LMPOIIKSSA-N	243.394	4.622	0	10	BJAE	
CC[C@@H]1CC[C@@](O)(CCCCCC(C)C)C1	383131568	DCFUQGWGBGIYRA-CABCVRRESA-N	226.404	4.534	0	10	BJAE	
CCC[C@@](O)(CCCCCC(C)C)C1CC1	383167602	KITABBRLUBEFSP-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
Cc1ccccc1C(=O)CCCCCC(C)C	383173803	SRYKWYSHXILQDV-UHFFFAOYSA-N	232.367	4.784	0	10	BJAE	
C[C@@H]1CC[C@@H](C(=O)C[C@@H](C)C2CCCCC2)C1	384095343	ZPBLDGNGVIUSSS-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
c1cc(N[C@@H]2CCC[C@H]3C[C@H]32)c2sccc2c1	386269258	YSPYWSJROCMCQP-YNEHKIRRSA-N	243.375	4.502	0	10	BJAE	
C[C@H]1CCC[C@@H](NCC2(C)CCCCCC2)C1	394580174	BWFZCFDHVDARMZ-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCC[C@@]1(C)CCCCCN1	394759027	KPJNLOSYVNMRJP-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
Fc1cccc(NCCCC2CCCCC2)c1	395141021	CKBGHEDPFHGSMS-UHFFFAOYSA-N	235.346	4.598	0	10	BJAE	
CCC1([C@@H](O)C[C@H](C)c2ccccc2)CCCC1	395246718	MNPPOWSTEZVQOB-HOCLYGCPSA-N	246.394	4.512	0	10	BJAE	
CCc1ccc2scc(C)c2c1C(F)F	396244410	NMKVKFZJXOEGJC-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCC[C@H](Nc1ccc(CC)cc1)[C@@H]1CC1(C)C	397640281	XOHQAJJEIOZOCT-HOTGVXAUSA-N	245.410	4.876	0	10	BJAE	
O[C@H](CCC1CCC1)c1cc2ccccc2s1	398575888	JUWMITGUBDTVPM-CYBMUJFWSA-N	246.375	4.515	0	10	BJAE	
CCC[C@]1(C[C@@H]2CC[C@@H]3C[C@H]3C2)CCCCCN1	403854657	UNXFDZBDMQSHMD-QBPKDAKJSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCC1CC1)C[C@H](C)CC(C)(C)C	405771407	ZZFKRDFAZKNULW-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NCCC(C)(C)CC)[C@@H]1CC1(C)C	686311951	MJUCPZTXCNHGBP-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCc1cccc([C@H](O)C2(CCC)CCC2)c1	686927599	MZWGZWYMFUZVOK-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)C1(C(C)C)CCC1	686928573	FXQWLFKWPWFUFE-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)[C@@H](C)CCC	688371160	WUZMYYHZQUEPRX-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC1CCCCC1	689713680	DQMGMHFGBLRNJV-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CN[C@@H]1CCCCC[C@@H]1C(C)C	691165972	LFYLRIQPXLXWQC-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCCC1CCCC1	691190791	WSICESYUVSTRSK-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](NCCC)C1CCC2(CC1)CC2	695615755	XCSURMQXZPEPNT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C1CCCC1)[C@H]1CCCC2(CC2)C1	695939449	YOCUVWKAIVQRDA-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](CC(C)(C)CC)NCCC	696269943	YVWJXURMHHBBFB-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](NC)C1(C(C)C)CC1	697625854	INUUZUPXCBUHPJ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](NC2CC3(CCC3)C2)CC1	697672717	AKLIOMPFBYEWGJ-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(CC)[C@H](O)c1cc2cc(C)ccc2o1	701069481	SUHUEQNBFNNBTB-OAHLLOKOSA-N	246.350	4.601	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)[C@@H](C)CC(C)C)c1C	704738488	GHVUFJRNQXBVJE-SUMWQHHRSA-N	248.410	4.636	0	10	BJAE	
CCCCc1ccc([C@@H](O)[C@@H](C)CC(C)C)cc1	704742533	WSVOBFNYCHFDPH-YOEHRIQHSA-N	248.410	4.745	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Oc1ccccc1C(C)(C)C	704924766	BKSYIGPCVUCYFH-ZFWWWQNUSA-N	246.394	4.942	0	10	BJAE	
CCc1cc(N[C@@H]2CC[C@H]3CCC[C@@H]32)ccc1C	707727463	XLQWDWRPHRXNRH-HYVNUMGLSA-N	243.394	4.548	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC[C@@H](C)CC(C)(C)C	709127321	QCGBDMHWAQLTBU-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@](C)(N)[C@]12CCCC[C@H]1C2	709260175	DWPWFLUAIVUHLQ-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(N[C@H]2CCCCC23CCCC3)cs1	710729517	RYTMARSUOXXNAZ-AWEZNQCLSA-N	249.423	4.971	0	10	BJAE	
CCN[C@@H](CCC[C@H](C)C(C)(C)C)C(C)(C)C	711222469	CAJPGLBOEKMOTR-KBPBESRZSA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)C[C@@H](C)CC(C)(C)C1	711278631	KKFVVIRMQVCQII-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
C=C/C=C/CC[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	713674030	NPEBWOYBZZLTHX-AFJNRPGYSA-N	234.383	4.540	0	10	BJAE	
C/C=C/CCc1ccc(C)c(C(C)(C)C)c1	714540835	WYBOZFLAXBCUPR-VOTSOKGWSA-N	216.368	4.801	0	10	BJAE	
CC(C)=C(C)CC[C@H]1CC(C)(C)CC[C@@H]1CN	718492661	HYSOFIUSZVTPBU-LSDHHAIUSA-N	237.431	4.524	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@H]1CCCCC1(C)C	718604874	YZOTUJZQBFDPPD-CABCVRRESA-N	238.415	4.700	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H]1CC1(C)C	718652895	PCKDSKJZKYXCQR-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@@H](N)c1ccc(C2CCC2)cc1	721701181	DADNAMPFKUNALF-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CCCCCC[C@H](C[C@@H]1CC1(C)C)NCCC	723179072	PRLBBNQVPGKWRF-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)SCc1ccc(C)c(C)c1	1643791078	HIZMTRSMASNRMO-CYBMUJFWSA-N	222.397	4.725	0	10	BJAE	
Cc1sccc1OCC[C@H]1CCC[C@H](C)C1	1904924701	GNVAHFVHYUHOGD-WCQYABFASA-N	238.396	4.652	0	10	BJAE	
CCC[C@H](CC)C[C@H](C)CCNC(C)(C)C	1905365435	HOVHXADZAHRMSV-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@H](C)CCC	1905451988	BADBANZMTKQZLH-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CC=CCn1ccc2c(Cl)cc(Cl)cc21	1911704904	QPWJJARWULMBOU-UHFFFAOYSA-N	240.133	4.524	0	10	BJAE	
CCCC=CCNc1ccc2c(c1)CCCCC2	1914677161	HEINQZSQNIIKFQ-UHFFFAOYSA-N	243.394	4.724	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@@H]1CCC2(CCCCC2)C1	1915857905	NOSBZWCYYPPCOY-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)CCN[C@H]1CCC2(CCCCC2)C1	1915865844	QLAFWCCGIGBQLC-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCNC[C@]1(C[C@@H](C)C2CCCCC2)C=CCC1	1916354024	VQGJBHFQJGUIHQ-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NC1C[C@H]2CCC[C@H](C1)C2	1923468521	HPSUEYDIQMMTKB-MPTYRVRUSA-N	249.442	4.514	0	10	BJAE	
CCCOc1ccc(NCCC(CC)CC)cc1	1926184528	WJJXQJIFLOYELL-UHFFFAOYSA-N	249.398	4.714	0	10	BJAE	
CCc1cscc1C(=O)[C@H](C)CCC(C)C	1938820550	TVFUIUWQGDCPOP-LLVKDONJSA-N	238.396	4.566	0	10	BJAE	
CCCN[C@H](C)[C@H](CC)CC1(C)CCCCC1	1940414208	IFLHQDSGGOOHKP-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@H](C)CC(C)C	1940794110	AMQSFRBKHIGETB-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(O)CCCC1CCC1	1941469825	IOXQQELMOABZIA-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(F)cc(NCCCCCC2CC2)c1	1941576387	HOAUJGXEWFPUAY-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCCCCCC2CC2)C1	1941580894	FFJRAAJBGKYLNA-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](CNC(C)(C)C)C1CC1	1942093351	PXEQBTNDRKWJBR-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)C[C@@H](C)C1CC1	1944516371	BUECYEGLPVLQOX-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)NC1CC(C2CCCCC2)C1	1945994261	MWEKQFRKOCNZLT-PCKAHOCUSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CC[C@H]2CC[C@H]1C2	1947112871	PVWPZDZZZNRGPA-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(O)CCC1CCCCC1	1947514691	HIAUZYFIIBXDCL-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@H](C[C@@H](N)C2CCCCCC2)C1	1948921587	YPHKZIRLRIEXJB-OFQRWUPVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)([C@@H]2CCC(C)(C)C2)CC1	1949453074	NOBWKJSHOHBJQP-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](O)CC2CCCCC2)C1	1949915802	IYLVVPYPWQBDFA-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@H](O)[C@H]1CCCC(C)(C)CC1	1950913117	DTNTVBGNYNJTRK-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC(C)C)C1(CC)CCC1	1951235756	YQVNHDRBVXYJIB-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC=C[C@H](C)Cc1c(C)cc(OCC)c(C)c1C	1951308542	INFKXLTZHLKXTN-LBPRGKRZSA-N	246.394	4.765	0	10	BJAE	
C[C@H](CCC1CC1)Nc1ccc(C2(C)CC2)cc1	1967841434	GDOMDQVBMBEDNR-CYBMUJFWSA-N	243.394	4.729	0	10	BJAE	
C[C@@H]1CC[C@@H](COc2ccc(C(C)(C)C)cc2)C1	1968299574	WIABWKPSVSFKIR-ZIAGYGMSSA-N	246.394	4.799	0	10	BJAE	
CC1CC(C)(COc2ccccc2C(C)(C)C)C1	1968366227	BRORFDKEEKUKKF-UHFFFAOYSA-N	246.394	4.799	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)C2(C)CCC2)c1	1968408838	ZHVCGBXSVPKYGF-CYBMUJFWSA-N	231.383	4.801	0	10	BJAE	
Cc1ccc(-c2nc([C@@H]3C[C@@H]3C)cs2)c(C)c1	1968436301	QRVKYSNEUJEDQO-WCQYABFASA-N	243.375	4.550	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCN(C)[C@H](C)C(C)(C)C)C1	1969040060	MXRXZXQHIGWVFH-KFWWJZLASA-N	239.447	4.569	0	10	BJAE	
CC(C)[C@H](C)N[C@H](c1ccccc1)C1CCCC1	1969087392	RXBZZYVRTNYCPM-WMLDXEAASA-N	245.410	4.552	0	10	BJAE	
Cc1cccc(NCC[C@H]2CCC[C@@H](C)C2)c1F	1969469941	HVNLOXQDONHNST-TZMCWYRMSA-N	249.373	4.762	0	10	BJAE	
CCC[C@@H](C)CN1CCC[C@H](C(C)(C)C)CC1	1969638575	WCFKBBSURDQYGY-CABCVRRESA-N	239.447	4.571	0	10	BJAE	
CCC(CC)N(CCC[C@H]1C[C@H]1C)CC(C)C	1971358376	AXTVWOKUPRIRAN-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
C=C=CCCC[C@@H]1CCCc2ccccc21	1985443682	KDZBNGRZJAQRNL-CQSZACIVSA-N	212.336	4.618	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](CC)CCCC	1990045928	VOCLGNYMELUEDG-LSDHHAIUSA-N	227.436	4.904	0	10	BJAE	
CCCCC[C@@H](CC)NCCCC1(C)CC1	1990092129	VOCMUSXJLVEKCC-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@H](C)c1cccs1	1990903194	IXTJWGVQCAXDGY-QWHCGFSZSA-N	239.428	4.566	0	10	BJAE	
CC(C)C(C)(C)C[C@]1(N)CCCC2(CCC2)C1	1997045026	CYQPKRHVXKHYEQ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](O)CCC=C(C)C)CC1	1997106403	UPMBTTYXJNABND-OAGGEKHMSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](N)CC(C)(C)CC)CC1	1997116338	JYRJGSAYLIKALC-QLFBSQMISA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](NCC)[C@@H]1CCCC(C)(C)C1	2000062381	LXGMJWMMPJTIDV-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](NCCC)[C@H]1CC(C)=C[C@@H](C)C1	2000366026	VXFMFCXLKLXMOB-BMFZPTHFSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@H](C)CCC(C)C	2000377044	SGCGCZKDXLCPHH-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)CC1(C)CC1	2002513391	BJIFWLBZVNMASA-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CCCCCCC[C@@H]2O)C1	2003119466	VNUUVCFQEHMDMT-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CCC1(C)CCC(O)(CC2(C)CCCC2)CC1	2004338124	AADMDAXYGYQDCE-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCC1CC(C[C@@]2(O)CCC[C@@H](CC)CC2)C1	2007760673	NPHICBMWZOEQDJ-PRLABOORSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@](C)(CCC)CNCC(C)C	2009628486	OFAVSNWJPXBWIP-BVBGJJFLSA-N	239.447	4.785	0	10	BJAE	
CCCCCC1CC(NCCC(CC)CC)C1	2009714762	VCSAOKLPSCPUOS-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@@H](O)C1=CC[C@H](C(C)C)CC1	2010716517	WOZYVMPZRZTFJO-GOEBONIOSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](C(=O)CC[C@]12CCC[C@@H]1C2)C(C)C	2011011923	SAEUWKBBCMOHMF-YCPHGPKFSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(CC[C@@](C)(O)CC1CCC1)C(C)C	2015335783	MVXYAFNBUFCNRE-MRXNPFEDSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@](C)(CNC1CC1)C[C@H](C)C(C)C	2015397361	HUOHAJPYHQZZLF-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC(C(C)C)C(C)C)C(C)(C)C	2015408473	JSSDBJLQDQIMHK-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](CC)CCCC(C(C)C)C(C)C	2015409921	SIXVRGBTURBMAR-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)C1(CC(C)C)CC1	2015760416	JYQGDLFEDSPFRH-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CCC[C@@H]1CC1(C)C	2016146444	WUJAEYWTKLETQE-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CC(C)=CCC[C@@H](C)NCCC1(C)CCCC1	2016150307	SECVYMYLHWQGCF-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@H](NC)C1(C(C)(C)C)CCC1	2017135408	UXWIQOHJCOUGCO-PSKZRQQASA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H](C[C@H](CC)C(C)(C)C)C(C)=C(C)C	2017472414	JUXVTVJIEYCZRV-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](CC)[C@@H](C)NC)CC1	2017722212	OMBQUJMAQQJRDX-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@H]2CC=CCC2)CC1	2017772361	PXFRPIVUEDAWRN-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C(CCC)CCC	2020970016	USVRHKMFWACIRY-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCCC[C@H](C)Nc1ccccc1C1CCC1	2021027127	QLXJJPGJEZYPGZ-ZDUSSCGKSA-N	231.383	4.945	0	10	BJAE	
CCCC(O)(CCC)C[C@@H]1C[C@@H]1C1CCCC1	2022453049	BXGWXRUVROCYJZ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC(=O)c1cc2cc(Cl)ccc2o1	2023320596	XKMWNCRLGWOCJP-UHFFFAOYSA-N	248.709	4.625	0	10	BJAE	
CC(C)CC[C@H](C)N(C)[C@@H]1CC(C)(C)C1(C)C	2025066797	GPVFKXWGNUGFNE-UONOGXRCSA-N	239.447	4.568	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CC[C@@H](C(C)C)C1	2025574769	MJVWGYPPXRREDP-PMPSAXMXSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CCC=C(C)C)NC	2026165774	FASZHGVIGRBMTR-JKSUJKDBSA-N	239.447	4.927	0	10	BJAE	
Cc1ccc([C@H](N)CC2(C)CCCCC2)cc1C	2027310947	GGJHYPXUVLCUSD-MRXNPFEDSA-N	245.410	4.664	0	10	BJAE	
CC[C@@](O)(CCCC1CCC1)c1cccc(C)c1	2028496259	YPQLKOKZFFGISJ-QGZVFWFLSA-N	246.394	4.563	0	10	BJAE	
CCCCCC[C@H](NC)c1cccc(C2CC2)c1	2028551742	JFRXEQXIUBJMNK-KRWDZBQOSA-N	245.410	4.795	0	10	BJAE	
CCCc1ccccc1OCCCCCC1CC1	2028636070	FKERXNXPIULXFJ-UHFFFAOYSA-N	246.394	4.988	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]21	2028758031	PLACETOYWUFICS-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1CCCCC1)[C@@H]1C[C@H]2CCCC[C@H]21	2028758032	PLACETOYWUFICS-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@@H]1CC1(C)C)c1cccc(C(C)C)c1	2032424256	OMIDNLGQMNNXRP-HZPDHXFCSA-N	245.410	4.507	0	10	BJAE	
CC=C[C@H](C)N[C@@H]1CCCC[C@@H]1C1CCCCC1	2034975839	AYUFGNFPCQRMRJ-USXIJHARSA-N	249.442	4.680	0	10	BJAE	
CC1CCC(n2ccnc2C2CCCCC2)CC1	2036777468	ZPKMUTRZBGGZMJ-UHFFFAOYSA-N	246.398	4.682	0	10	BJAE	
CCC[C@@](N)(CC1CCC=CCC1)[C@@H]1CC1(C)C	2037206751	DOUHWYPOLMJHPE-NVXWUHKLSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)c2ccccc2C(C)(C)C)C1	2037683959	WPUYINVWSDYGJP-QWHCGFSZSA-N	244.378	4.603	0	10	BJAE	
CC(C)(CC[C@@H](N)[C@H]1CC12CCCCC2)C1CC1	2039077637	ASDMGZYZJOHJIL-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1([C@H]2C=CCCC2)CCCC(C)(C)CC1	2039384464	IETOCLWUKRWNCF-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1ccc(CC2CC2)cc1	2040727691	GMWSLLCRADAXBH-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
CC(C)CCCCCNC1C[C@H]2CC=CC[C@@H]2C1	2042341320	FNFZTTGYMXQSIG-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN[C@@H]2CCC3(CCC3)C2)CC1	2043605554	MGQUJSRWSOZENL-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@H]1CCC=CCCC1	2045304852	JQAYXTIWXUJVPB-OWCLPIDISA-N	248.410	4.908	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@]1(N)C[C@@H]1CCC=CCCC1	2045317651	NPZLKBAYAQBBRM-YYIAUSFCSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](c1ccco1)[C@H]1CCCC(C)(C)C1	2045402227	XFPYCDBGJPIREB-ZFWWWQNUSA-N	249.398	4.537	0	10	BJAE	
Cc1cc(C)c(C(=O)CCCC2CCC2)cc1C	2045559275	VJFZPGGXNKDCPT-UHFFFAOYSA-N	244.378	4.765	0	10	BJAE	
CC(C)[C@H](C(=O)CCCC1CC1)c1ccccc1	2045674449	YTVCRKXBKAILTL-KRWDZBQOSA-N	244.378	4.576	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2CC23CCCC3)CC1	2047016237	NMXZIEUHDUGNJO-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C)n1C[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047448258	RIQZLKJJIPISKS-YESZJQIVSA-N	245.410	4.711	0	10	BJAE	
CCNC[C@@]1(CC2(CC)CCC2)CCC12CCC2	2047942258	IWOOPZCTQWSHCA-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1(C[C@@H]2CC[C@H]3CCCN[C@@H]3C2)CCCCC1	2048088609	NMAPQHGMZWUCTN-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C)(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048469924	GEHAXBNMDMNMDN-WDNDVIMCSA-N	248.410	4.598	0	10	BJAE	
CCC1CC(C2(N)CC3(CCC(C)(C)CC3)C2)C1	2048640285	NEPMWESWPKYHFZ-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)CC1CCC2(CC1)CC2	2049855440	MBYUKHBVYGXVCL-YOEHRIQHSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(=O)CC2=CCCCCCC2)cc1	2050457860	HWWRLCWYNNZTHH-UHFFFAOYSA-N	242.362	4.848	0	10	BJAE	
CCC1(C)CCC(N)(C2=CCCCCCC2)CC1	2051618406	UQOGKGFNBSLPEN-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCCCC23CC3)c1	2053303962	HATLTDPJARPVKS-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H]2CCCCC23CCC3)CCC1	2055548804	FKWUHFPVJUWUDU-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
Cc1ccccc1[C@H](N)C1(C)CCC(C)(C)CC1	2056556027	DATDULDKZHHBOB-HNNXBMFYSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)CC1CC(C2CCC2)C1	2056640371	ORKZLLQLUNIDDE-BNICSPFPSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@@H]1C[C@@H]1CC(C)C	2056875113	CVWPSWWGPKTAMC-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H]1CC[C@H](CC)C1	2056877671	BTHLMBOFPMTKPC-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@H]1C[C@@H]1C(C)(C)C	2056881151	CSAWNWISXOPDIN-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(Cl)cc(SC(F)(F)F)c1	2059094326	QIBAGSKRMVTEOR-UHFFFAOYSA-N	240.677	4.514	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@@H]1CC12CCCCC2	2059184214	QTJIITMMSZULTN-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC=C([C@]2(O)CCCC23CCCCC3)CC1	2060920384	DPCYCLJRAQQPNX-WMLDXEAASA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C1=CC[C@H](C)CC1)[C@H]1CCCC[C@H]1C	2060922888	VBYKRMPISQGGBY-HDEZJCGLSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1([C@H](N)C2=CC[C@@H](C(C)(C)C)CC2)CC1	2061099990	SZKURRCAAFCIPM-HUUCEWRRSA-N	249.442	4.523	0	10	BJAE	
CC(C)(NCC[C@@]12CCC[C@@H]1C2)C1CCCCC1	2061571974	OADUGBKKOWIMTK-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC1CC(=C2CCC2)C1	2061700290	WEASADTZUMWRRF-HNNXBMFYSA-N	246.394	4.662	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@@H]1C)[C@]1(C)C=CCCC1	2062641943	MKXRPBUNNYOHFY-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)C1CC2(CCCCC2)C1	2062651167	IZSUWDNLHFEDHG-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CC1CC(N[C@@H]2CCC3(CCC3)C2)C1	2067983045	OCYUNYVCCBZCGD-SHARSMKWSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(NC2CC(CC(C)(C)C)C2)cc1F	2067983198	PYRUGJMYVFQIIK-UHFFFAOYSA-N	249.373	4.761	0	10	BJAE	
CCCC1(CN2CCC[C@@H]2C2CCCC2)CCC1	2069268010	JVOLEUBTIZULHT-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNC1(CC2CC2)CCC1	2069496392	NLIUAVHFINDVRI-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC1(CC2CC2)CCC1	2069496393	NLIUAVHFINDVRI-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC1CC(=C2CCC2)C1	2070307906	JDRLXEHZYGOCNY-QGZVFWFLSA-N	247.426	4.731	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C[C@]23CCC[C@@H]2C3)C1	2070968919	XOMAVIMIVZRVIU-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC1CC2(C1)CC21CC1	2072237781	ZVJTURXZBPYSTF-KRIMKBQASA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC(C[C@@]2(CN)C=CCCC2)CC1	2072799992	ZEUCKWLDEBVEQS-OFLPRAFFSA-N	249.442	4.668	0	10	BJAE	
CCC[C@H]1CC[C@H](Cn2cc(C(C)C)cn2)CC1	2075341463	NGYZQYOEYIIEFR-SHTZXODSSA-N	248.414	4.613	0	10	BJAE	
CCCC1CC(Nc2ccccc2C2CCC2)C1	2077264952	FPWZTMMGOHQOSH-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CC1(N)CCC(C[C@H]2C[C@@H]2C2CCCCC2)CC1	2079703825	XAKAXZHFSHNJBH-CBUUIXETSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(C(=O)C[C@H]2C[C@@H]2C(C)(C)C)c1	2079849958	BUTDXFJMGQWAQZ-HIFRSBDPSA-N	244.378	4.558	0	10	BJAE	
CC(C)C1(C(=O)C[C@H]2C[C@@H]2C2CCCC2)CCC1	2079864564	MSZBIUQOIHCZEX-HUUCEWRRSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@H]1C[C@H]1C(C)(C)C	2079864936	NKWQCXYGVHYNHV-ZIAGYGMSSA-N	244.378	4.558	0	10	BJAE	
CC1(CCC(=O)C[C@H]2C[C@@H]2C2CCCCC2)CC1	2079867452	WKTGLXJXRBVASE-GOEBONIOSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)c1cccc([C@@H](O)C2(C)CCCC2)c1	2083546920	VCCPPUQAKSVRDW-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CCC(CC)N1CCCC12CCC(C)(C)CC2	2213112173	ZJQHXBDAYWLGCU-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213284500	IRAVXDLBTJBJMP-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1C[C@H]1CCC(=O)C1(C)CCCCCC1	2215337397	ZLPRNLMKDRKYJK-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)CC1CCCCCC1	2215343949	XPLZBXDUFFDDFI-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CC[C@H]1[C@H](O)CCCCCCCC1CC1	2216862442	YWHFDWVVPIYBSF-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)[C@H](C)C(CC)(CC)CNC1CCC1	2217123816	BQZLDWFSJHYWPY-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@]1(CN[C@@H](C)CC)CCC=CCCC1	2217129294	JXAWAYBLSJGVRM-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@@](C)(CCCC(C)C)Oc1ccccc1N	2218950852	QCGFSKONXJDWFQ-INIZCTEOSA-N	249.398	4.643	0	10	BJAE	
N[C@H](CCCCC1CC1)c1cccc(C2CC2)c1	2220031189	SNBDACMNXUKDKE-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CC1(C(=O)C[C@H]2C=CCCCC2)CC2(CCC2)C1	2221005911	UGGBEVYYVYYODW-AWEZNQCLSA-N	246.394	4.662	0	10	BJAE	
CCCN[C@H]([C@@H]1CC1(C)C)[C@]1(C)CC=C(C)CC1	2221608571	AVJLIEJMZQCFPT-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1	2221639814	GFPDASWPJIVLHM-DLTWYDFYSA-N	246.394	4.518	0	10	BJAE	
CC1=CC[C@@H](N[C@@H](C)C2CCC(C)(C)CC2)CC1	2221656372	YPFGBBBVKWDVLZ-GOEBONIOSA-N	249.442	4.680	0	10	BJAE	
C[C@@]1(NCCCCCCCC2CC2)CC=CCC1	2223161372	DBTCAVLBSRUMGW-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CCCCc1ccc([C@H](O)C(CC)CC)s1	2242605392	WNUPYBYIEUWXLN-CQSZACIVSA-N	240.412	4.560	0	10	BJAE	
CCCCC[C@](C)(N)CC[C@@H]1CCC[C@@H](C)C1	2246659728	KKNUXKXYNRSRBD-PMPSAXMXSA-N	239.447	4.891	0	10	BJAE	
CCNC[C@](C)(CC)CCCCC[C@H]1C[C@H]1C	2248854822	QIRVPPASXQTZHZ-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC1CCC(O)(CCCCC[C@@H]2C[C@H]2C)CC1	2248874980	YMLFGHUHAVXPDY-LVDPKSTMSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCCc1ccc2cccc(Cl)c2n1	2252698277	AMFJUABJFRWLKY-UHFFFAOYSA-N	245.753	4.787	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)C[C@H]1CCCCC12CC2	2253818442	RXFXCCYSOSETJQ-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC=C[C@](N)(CC[C@@H]2CCC[C@@H](C)C2)C1	2253913402	FYAFCPAYQTWUHZ-NCOADZHNSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCCC[C@@]1(C)NC[C@H]1CCC12CCC2	2254974829	ISUSUJKNRSYZSY-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc([C@H](N)[C@H](C)CCC(C)C)cc1	2256297588	WVEUNTPGTZDAMC-RHSMWYFYSA-N	247.426	4.711	0	10	BJAE	
CC1(C)CCC(CN[C@]23CCCC[C@@H]2CC3)CC1	2260548071	CNRYVXIUUOQXCK-WBVHZDCISA-N	249.442	4.515	0	10	BJAE	
CC1CC(CC[C@@H](N)C2=CC[C@@H](C(C)C)CC2)C1	2261496401	YPOUULOBDCJTTO-OCUYMYNFSA-N	249.442	4.523	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)CC[C@@H]1C[C@@H]1CC	2298125052	ICKFEQWPIAKLAM-FZKCQIBNSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)C(=O)C[C@@H]1C[C@H]1C1CCCC1	2298646388	WTHMSUWYOWDLGS-SNPRPXQTSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@H]1CCC(C)(C)C[C@H]1NC	2300682764	BYYBPUQAJFVXKK-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC1(CNCC(C)C)CCC1	2300700680	NLTSHGFGOUPYEH-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(F)(F)[C@@H](N)CC=C(C)CCCC(C)C	2300931991	OOEQNCCGFDATMX-ZDUSSCGKSA-N	247.373	4.522	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)NCC1CCCCCCC1	2301685674	OCNOICQRGDMTII-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N(C)C1CCC(C)(C)CC1	2301985118	XQEBRRMISOKDCG-UONOGXRCSA-N	239.447	4.568	0	10	BJAE	
CCN[C@@H](CC)CCCCCC1=CCCCC1	2302357914	AMMFUXZVBAHBTD-INIZCTEOSA-N	237.431	4.825	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@@H]1CC[C@@H]1C(C)(C)C	2303472125	ORIGAYVLFDUKRG-IHRRRGAJSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)C[C@H](O)CC[C@@H]1CCC(C)(C)C1	2304388888	WWMUCHRCXRNVER-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2CC=CCC2)C1	2304430500	BIRMOCCHTHPBFC-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@@H]2SC)cc1	2307626730	QXDWGTMDHFAKLV-GLQYFDAESA-N	249.423	4.506	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H]1CCC[C@@H]2C[C@@H]21	2309960684	AQUFUVMOPWKOKC-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C[C@H](N)C[C@@]12CCC[C@@H]1C2)C1CCCCC1	2310388327	WPIXQJXOANNARN-ORQFMDKSSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1N[C@@H]1C[C@H]1C1CCCCC1	2311537811	LWKIMLCOZCBCFC-QSPRXWTASA-N	249.442	4.514	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)[C@@H](C)CC1CCC1	2313600844	UIUFQOXMQORDAY-GRDNDAEWSA-N	249.442	4.667	0	10	BJAE	
C[C@@H](CC1CCC1)[C@]1(N)CCCCC12CCCC2	2313669596	USINZWNXENGDGG-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
O=C(CC1CCCCCC1)C[C@@H]1CCC[C@H]2C[C@@H]12	2316887231	VVBTWUKPZWAGRD-ZOBUZTSGSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC1CCCCCC1)C1CC[C@H]2C[C@@H]2CC1	2317023600	ZMRSYMOKUIBYFE-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C[C@@]12CCCC[C@@H]1C2	2317903893	JFYWIUPZPKWSEL-ZACQAIPSSA-N	247.426	4.565	0	10	BJAE	
CCC1(CC)CC(N)(CCCC2=CCCCC2)C1	2318539945	QHNOLXOQQUAHEY-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CCCN[C@@H](C[C@H]1CCC(C)(C)C1)C1CC=CC1	2319031746	ULGWZXDPEVJCQK-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C(=O)CC[C@H]2CCC(C)(C)C2)c1	2319107506	CGTMEBAFKGHEFS-AWEZNQCLSA-N	244.378	4.784	0	10	BJAE	
CC1(C)CC[C@H](CC2(N)C[C@H]3CCC[C@@H](C3)C2)C1	2319308627	MFHPOMJTNFOVJT-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](N)CC[C@@H]2CC[C@@H]2C2CC2)CCCC1	2319732196	ZGZGWIWDTYIPRE-ARFHVFGLSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1OCC[C@@H]1CC[C@H]1C1CC1	2319748602	KLSQOOHOFYZFJH-HOTGVXAUSA-N	244.378	4.509	0	10	BJAE	
Cc1cc(C)cc(OCC[C@@H]2CC[C@@H]2C2CC2)c1	2319750131	QQGLQJKVVWUVEW-DOTOQJQBSA-N	244.378	4.509	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@H](C)[C@@H]2CCC2(C)C)CC1	2320229994	CFUVPHXMGMAAPE-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@@H]2CC=CCC2)c1	2320581901	PBOSTVRMOUWQGX-PBHICJAKSA-N	244.378	4.590	0	10	BJAE	
c1cc(N[C@H](CC2CC2)C2CC2)cc(C2CC2)c1	2320617435	WEOLKLCGXRSDBJ-QGZVFWFLSA-N	241.378	4.555	0	10	BJAE	
N[C@H](C1CCCCCCC1)[C@@H](CC1CC1)C1CC1	2320814346	SOHCCFSARVEIQW-DLBZAZTESA-N	249.442	4.501	0	10	BJAE	
CCCCCCc1ccc([C@H](N)CC(C)C)cc1	2327896345	OGPDDACBLPRZRS-QGZVFWFLSA-N	247.426	4.855	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc2occc2c1	2328199504	HURDSGPIXMRYDN-WFASDCNBSA-N	245.366	4.649	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CCCC[C@H]1C	19986733	JFEYNQIWRRQKNP-ZWNOBZJWSA-N	237.774	4.639	0	10	BJAE	
CC[C@@H](C)c1ccccc1Oc1ccccc1N	21512624	HYWVPIWXQHQLAT-GFCCVEGCSA-N	241.334	4.575	0	10	BJAE	
CC(C)C[C@H](C)Nc1ccccc1C(C)C	21794418	ZILUDESUZYXOKE-ZDUSSCGKSA-N	219.372	4.657	0	10	BJAE	
CC(C)CC[C@H](C)Nc1cc(Cl)ccc1F	35284143	OLJYXPXOTYMIBP-JTQLQIEISA-N	243.753	4.716	0	10	BJAE	
CCCOc1ccccc1NC(CCC)CCC	36955540	WVLRIDSINCVDMP-UHFFFAOYSA-N	249.398	4.856	0	10	BJAE	
CC(C)(C)c1ccccc1NC(C1CC1)C1CC1	36956602	VCCHONSVGSHXML-UHFFFAOYSA-N	243.394	4.585	0	10	BJAE	
CC[C@@H](NC(C)(C)CC(C)(C)C)c1ccccc1	37100881	YXWKYAYSQIIDNQ-OAHLLOKOSA-N	247.426	4.942	0	10	BJAE	
CCCC[C@H](C)N[C@H](CC(C)C)c1ccccc1	37295190	KIBIMVAXRSBHJZ-DOTOQJQBSA-N	247.426	4.942	0	10	BJAE	
CCCN[C@@H](CCC)c1ccc(C(C)C)cc1	37409601	AHKSABTZQVMVJQ-INIZCTEOSA-N	233.399	4.651	0	10	BJAE	
CCCn1cc2ccccc2c1SC(C)(C)C	39214184	DHUKQEVUQMZMMD-UHFFFAOYSA-N	247.407	4.942	0	10	BJAE	
Cc1ccc(N[C@H](c2cccs2)C2CC2)cc1	42328661	XUWDKUXIYFZEAE-HNNXBMFYSA-N	243.375	4.620	0	10	BJAE	
Cc1ccsc1[C@H](O)C[C@H](C)CC(C)(C)C	42731050	UNEGUXJNHXCTDN-CMPLNLGQSA-N	240.412	4.552	0	10	BJAE	
CCCC[C@H](CC)Cn1cc(C)c(C)c1C	69234060	RGVCYXXWQXXQAK-HNNXBMFYSA-N	221.388	4.630	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CCC(=O)C(C)(C)C	70740075	BEVRMTMPTBPGKL-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CC[C@H](N)c2ccccc2)C1	80390972	RYZLLURHAGYQLN-VYDXJSESSA-N	245.410	4.683	0	10	BJAE	
C[C@@H]1CCC[C@@H](Nc2ccc3[nH]ccc3c2)CC1	86879953	DTIQIRNOFCBHHB-TZMCWYRMSA-N	242.366	4.549	0	10	BJAE	
CCCN[C@@H](CCC(C)C)c1cscc1C	87288851	XLBIVLLPPCCJQL-AWEZNQCLSA-N	239.428	4.533	0	10	BJAE	
Cc1ccc(C(=O)C2CCC(C)(C)CC2)cc1C	87941004	QRHVSBSCLUIZFC-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
Cc1cccc([C@H](N)C2CCC(C)(C)CC2)c1C	87941999	NDUJICXUDVAPHY-MRXNPFEDSA-N	245.410	4.520	0	10	BJAE	
CC[C@H](NC)c1cc2c(C(C)C)ccc(C)c2o1	88075544	XGLNRIIVWGWPLK-AWEZNQCLSA-N	245.366	4.535	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NC1CCC(C)(C)CC1	88508595	DCTRJHLGADQAKT-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@H](C2CCCCC2)C1	93123333	WTESENCRVXVJBU-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC1([C@@H](NC)c2cc(C)ccc2C)CCCC1	94900039	FBMFVWVEOPRJSH-INIZCTEOSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](NCCC)C(C)(C)c1ccccc1	103948553	JPNUTEIVHAZCSE-MRXNPFEDSA-N	247.426	4.523	0	10	BJAE	
CCC[C@@H](N[C@@H]1CCC(C)(C)C1)c1ccccc1	124982994	KMIRWVFCTPSQCP-HZPDHXFCSA-N	245.410	4.696	0	10	BJAE	
Cc1cc(C)cc([C@H](C)N[C@H]2CCC(C)(C)C2)c1	131311300	LPUIBMYAWOTGAI-HOCLYGCPSA-N	245.410	4.533	0	10	BJAE	
Cc1cccc([C@H](N)C2=CCCCCC2)c1Cl	162869188	MIZXHUHBBZYBLJ-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCCc1ccccc1	163297663	QFWBDPGJKDPXEH-KRWDZBQOSA-N	247.426	4.553	0	10	BJAE	
CCCc1cccc([C@H](O)C2CCCCCC2)c1	165396649	FKVOSSGSDAELLQ-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
CCCCCCC(=O)c1ccc(C2CC2)cc1	196447661	HGMRWUDOAGXGQN-UHFFFAOYSA-N	230.351	4.717	0	10	BJAE	
C[C@@H](CC(C)(C)C)NC(C)(C)CC(C)(C)C	220697162	UDAWRWSFVMLPSY-LBPRGKRZSA-N	227.436	4.616	0	10	BJAE	
Cc1ccc([C@H](C)Nc2c(C)cccc2F)s1	224987730	FKCYYDTUWNHNQC-NSHDSACASA-N	249.354	4.677	0	10	BJAE	
CCCN[C@H](c1coc(C)c1)C1CCCCCC1	229147548	AXKFERIPIUWJPQ-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CC2CCCCC2)C1	231016113	QFKNIBLYZRNVGR-CVEARBPZSA-N	237.431	4.501	0	10	BJAE	
CCC1(CN[C@@H]2CCCCC2(C)C)CCCC1	233086950	GSQXWAVTVDFLLB-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1c1ccc2c(c1)NCCC2	233909103	RYSXWHJLUUCJBE-CJNGLKHVSA-N	243.394	4.729	0	10	BJAE	
CCC(CC)C[C@]1(O)C[C@@H](C)CC[C@H]1C(C)C	250739799	NQMBKEHKDXJISP-CWRNSKLLSA-N	240.431	4.636	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C)CC[C@H]1CNCC	250820553	KZBXHOMZCWJHHZ-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](C)[C@H](O)C(CC)(CC)c1ccccc1	300469725	SRZXMMPIQNTWNP-ZBFHGGJFSA-N	248.410	4.542	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)c1cc(C)ccc1C	302319350	GUBYCBSAXNCSLZ-DOTOQJQBSA-N	247.426	4.780	0	10	BJAE	
C[C@H]1CCC[C@@H](C2(CN)CCCCCCC2)C1	302485769	ICTHYBSYRVXGMY-LSDHHAIUSA-N	237.431	4.502	0	10	BJAE	
Cc1cccc(C)c1C(=O)C[C@@H](C)CC(C)C	304175023	MYEVRJLDRCFQSJ-LBPRGKRZSA-N	232.367	4.558	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)[C@@H]1CCCCC1(C)C	305920028	LRJGLUQPZXKDCF-UONOGXRCSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](N)C[C@H]1CCC[C@H](C)C1	308090772	GPUHJULEPOLLFE-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CCC1CCC(C)(C)CC1)C(C)C	310175043	UYDZORPEEQDOMA-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(N[C@H](CCC)C2CC2)CC1	310247422	WISSKUIYTRGQKG-AVVWSFFYSA-N	237.431	4.514	0	10	BJAE	
CCCCCCN[C@H](CC)c1cccc(C)c1	310299148	MYYDTTJNKLOEEH-MRXNPFEDSA-N	233.399	4.616	0	10	BJAE	
Cc1ccc(C)c([C@H](O)C[C@H]2CCC[C@H](C)C2)c1	311163554	ZDOVEBPXVJMNBS-YLQAJVPDSA-N	246.394	4.553	0	10	BJAE	
CC(C)(C)CCCNCC1(C)CCCCCC1	313284551	RHMYZXNIITZRTN-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)[C@]1(CNC(C)(C)C)CCC[C@@H]1C	318028428	PJFBWYIDNRMKEG-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](Nc1cccc2ccsc12)[C@@H]1C[C@H]1C	322076761	UCQGLKRBCXCKMN-RTXFEEFZSA-N	245.391	4.748	0	10	BJAE	
CC[C@H](N[C@H]1CCC[C@@H](CC)CC1)C1CCC1	324621356	CIGANLNECFIJGY-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@](C)(O)CCC(C)(C)C)C1	379731507	UFDVVNIHUGUPIX-IJEWVQPXSA-N	240.431	4.780	0	10	BJAE	
CCCC1(C(=O)c2cccc(C3CCC3)c2)CC1	380736751	JSLDZKGLLBSMPP-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2CC3CCC2CC3)CC1	380951332	PVALTIONNWQGFM-AXJCJWBSSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(N[C@@H]2CC3CCC2CC3)ccc1C	382098872	IKBODCXHPYMJET-PUJMQQBBSA-N	243.394	4.548	0	10	BJAE	
CCN[C@H]1CCC[C@H](CCCCCC(C)C)C1	383152827	HVVSIFIYNBAWCZ-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCN[C@H]1CCC[C@@H](C)CC1	383245288	JJNZAKBQOXBFOC-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)[C@@H](C)C1CCCCC1	384007289	NWTVAONISHHQBW-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
C/C=C\CCN[C@@H](CCCC)c1ccc(F)cc1	384810842	UEKQJFQGSAJYHR-IMMZDGJCSA-N	249.373	4.613	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)c1cocc1C	385272092	AMYHWIZDWPYLNO-INIZCTEOSA-N	249.398	4.599	0	10	BJAE	
CC1([C@H](N)CCC2=CCCCC2)CCCCC1	385813672	QNYNTHOFFWXLGM-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
C[C@H]1CCC[C@H]1Nc1cccc2ccsc12	386217470	IYTRERYOANWWOO-CMPLNLGQSA-N	231.364	4.502	0	10	BJAE	
CC[C@@H](C)C[C@H](NC)c1ccc2sccc2c1	386308294	LLOWJUQGBLUKRG-RISCZKNCSA-N	247.407	4.598	0	10	BJAE	
CCCN[C@@H](CCCC(C)(C)C)[C@@H]1C[C@H]1CC	387618554	PXIGAVBKOCEOPX-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CNCCCC1CCCCC1)C(C)(C)C	395179436	DFNHNZFYBZBBLM-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
CCc1ccc(SC)c2c(CC)csc12	396178302	SOWSPKYLHDYJCS-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1ccc2sc(F)cc2c1C(F)(F)F	396289647	APJBYJXPEYAVMY-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
C1=C(CC[C@@H]2CCCc3ccccc32)CCC1	401131214	WUSPYDBQQHKKHJ-INIZCTEOSA-N	226.363	4.997	0	10	BJAE	
CCCC[C@H](C)[C@H](CCC(C)(C)C1CC1)NC	405811990	MUNDRVHOFHBSNA-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(O)C1CCCCC1	691127789	MSZIDUNOEKFQKC-HZPDHXFCSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@H]2CC3CCC2CC3)C1	691727179	IPVFENBMFFFFJH-LKRQVQDUSA-N	249.442	4.501	0	10	BJAE	
O=C(CC1CCCCC1)C[C@@H]1CC2CCC1CC2	691756327	JMFKOKUHRDAYEP-GPANFISMSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]([C@H](O)c1ccc2sccc2c1)C(C)(C)C	691822004	JNIDRHPZSJBUGE-HZMBPMFUSA-N	248.391	4.617	0	10	BJAE	
CCC[C@@H](NC[C@H]1CCCC2(CC2)C1)C1CCC1	695716992	NNNKJGPUJDYTSF-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@H]1CCCC2(CC2)C1	695919237	SUPXVTVXTYDGED-HNNXBMFYSA-N	246.394	4.807	0	10	BJAE	
CCCN[C@H](CCCC1CC1)CC(C)(C)CC	696195533	NNWWBVGUWJTMNL-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@](C)(C(=O)C[C@@H]2CC=CCC2)C1(C)C	698989756	PYTLINLCIWVDTD-CKEIUWERSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)CC2=CCCC2)C1(C)C	699023322	KWOHLXQKIHUFCU-WBMJQRKESA-N	234.383	4.518	0	10	BJAE	
CCCc1ccccc1OCCC(C)(C)C1CC1	703816278	JUZCOGKVUPIPHP-UHFFFAOYSA-N	246.394	4.844	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)[C@@H]1CCCC2(CC2)C1	704604084	DNRLOLFMHPFNHD-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC(N)(CC(C)C)[C@@H]1CCC[C@H](C)C1	704907375	HQXQAXYNOPWQGS-LSDHHAIUSA-N	239.447	4.602	0	10	BJAE	
CCCCCC[C@H](C)NC[C@H]1CCCC12CC2	706237717	UZGHLIOLASTXPF-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNCC[C@H]1CC=CCC1	706771484	DCKZDTWOFGGIIR-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCCCCC(C)(C)CNc1cc(C)cc(C)n1	707987452	RWSHTPTVAGCVDQ-UHFFFAOYSA-N	248.414	4.717	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@H](C)CC(C)C	709272644	LZHXDLGEPUEUNH-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@@H]2CC3CCC2CC3)C1	709436574	RJYRKXMMYZVUMJ-WCMAUXFHSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C12CCC(CC1)CC2	710323783	NLVGLLPZQVWAJR-DGNOSDGRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCC(C)(C)CC1)C(C)(C)C	710752726	JONQGEVVGCUQQJ-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1C[C@H]2CCCC[C@@H]21	712423883	MEZASVLJXOGRDD-OWCLPIDISA-N	243.394	4.548	0	10	BJAE	
CCC(C)(C)C[C@@]1(O)CCC[C@@H](CC(C)C)C1	713169639	OWFFYKYVWMSPOB-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@@H]1CC(C)(C)CC	713184470	OLCAEWPRXYSBPX-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCC(CC)(C(=O)CC(C)(C)C)c1ccccc1	713339690	UYPDDHKMXUEJAP-UHFFFAOYSA-N	246.394	4.750	0	10	BJAE	
CCC[C@H](C)[C@]1(CNCC)CCC=CCCC1	719089284	LBNWSOVIAIWSPP-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CC[C@@](O)(CCC(C)C)CC1CCCCC1	720976185	CUSBGQAGOBOFNX-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
C1=C[C@@H](Sc2ccc3c(c2)CCCC3)CCC1	1307357844	DWVXFAMODWCOEW-OAHLLOKOSA-N	244.403	4.766	0	10	BJAE	
CC(C)=CCCN1CCC(C2CCCCC2)CC1	1307905381	YOLTWMCPTPCXFJ-UHFFFAOYSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CCC[C@]2(CCN2CC2CCCCC2)C1	1875957744	QQLNJVSJBAOBNR-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CC[C@H](C)Nc1ccc(Cl)c(C)c1Cl	1888965602	QBAKRPIPFRWNHH-ZETCQYMHSA-N	232.154	4.512	0	10	BJAE	
CC=CCC[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F	1900898249	MVAKVSLTSDEWHN-CLLJXQQHSA-N	228.326	4.804	0	10	BJAE	
CC(C)(C)Cc1cccc(C2CCCC2)c1	1901919120	JXBVVDYCXPXQPE-UHFFFAOYSA-N	216.368	4.933	0	10	BJAE	
Clc1cccc(NC[C@@H]2C[C@H]2C2CCCC2)c1	1910730938	DOPGFFPNEGGBHV-WFASDCNBSA-N	249.785	4.578	0	10	BJAE	
CCC[C@](N)(CC)C[C@@H]1C[C@H]1C1CCCCC1	1910793595	GIAFLTVWUNBYRI-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCCC(=O)C1CCC(CCC)CC1	1911784881	XIANAROFULWWLI-UHFFFAOYSA-N	234.383	4.684	0	10	BJAE	
C=CC=CCC[C@H](NCCC)C(C)(C)C1CCC1	1911791527	FPCWTSDJLZZZMQ-INIZCTEOSA-N	249.442	4.703	0	10	BJAE	
Cc1cc(N[C@@H]2CCC3(CCCCC3)C2)cs1	1915855859	UVBHHTZBZNHLRF-CYBMUJFWSA-N	249.423	4.971	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC(C)(C)C)C=CCC1	1916384893	GKKHDLBKASDBAU-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCC3(CCCC3)C2)C1	1916440780	DUJOUXVLVQVKNW-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CC(C)[C@@](O)(c1ccccc1)C1CCCCCC1	1919934067	JPZBJIHJAYGBJF-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
CC[C@H](C)C[C@@](O)(CC)CCCC1CCC1	1919972506	CZOGHZVHEQWBAW-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
C[C@@H](C(=O)CCC(C)(C)C)C1CCCCC1	1924085444	DRWGEHBUJTWNKH-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCCCC1)[C@]1(C)C[C@H]1C	1925785010	UAQWQTGKAXFQCO-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1C=CCCCC1	1925801152	AFVQIOZVMKXCFD-RBSFLKMASA-N	234.383	4.518	0	10	BJAE	
CCC(CC)CCN[C@@H](C)c1ccc(C)s1	1926146846	YRBOSOFIGUZRNJ-LBPRGKRZSA-N	239.428	4.533	0	10	BJAE	
CCC[C@H](CC[C@H](C)CCC(C)C)NCC	1937175246	WBODOFBJTFLPNM-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@](O)(CCCC1(C)CC1)C1CCCC1	1940883799	WCMJRSMCHCKKLL-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
Cc1cscc1COc1ccc(C(C)C)cc1	1941473856	IUOPJPVHHINUOR-UHFFFAOYSA-N	246.375	4.759	0	10	BJAE	
CC1(C)CCC[C@@H](NCCCCCC2CC2)C1	1941581759	OAQBTIUCMICIOT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@@]1(CCCCCC2CC2)CCCN1	1941585470	GKLGAGFRTYCOKC-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CCCCCC1CC1)C1CCC1	1941586801	MQNSJVBHBQONRH-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@H](C)C(C)(C)C	1941599534	KIPFUGIWJPZPPL-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCCCCC1(C)C	1942800754	GMIXBGBXOJTMOU-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CC(=O)CC1CCCC1	1949862557	RKMQQGBVCIJYGO-CABCVRRESA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(NC2C[C@H]3CCC[C@@H]3C2)c(Cl)c1	1950299244	UJENLMGJZFQZLQ-VXGBXAGGSA-N	249.785	4.639	0	10	BJAE	
Cc1cc(-c2ccc(C(C)C)cc2)sc1C=O	1950885946	GCWFSWMEYRQENS-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
Cc1cc(-c2ccccc2C(C)C)sc1C=O	1950887128	ZSBLKHMUCFXDDP-UHFFFAOYSA-N	244.359	4.659	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2C=CCC2)CC1	1950924256	XZJSPKKGWWQHBO-KGLIPLIRSA-N	234.383	4.518	0	10	BJAE	
CC(C)CN(CC1CCC=CCC1)C1CCCC1	1966164751	OPZSFJPZCVVJKR-UHFFFAOYSA-N	249.442	4.633	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CCC[C@@H]3C[C@H]32)CC1	1967708426	PISLHDIWXPDHGT-FVQBIDKESA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)N[C@H]1CCCC[C@H]1C1CCCCC1	1969308950	NODQCFMNQFPRGM-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]1NC1C[C@@H]2CCCCC[C@H]2C1	1969962345	XGUKGXDBLDFZAM-DZKIICNBSA-N	249.442	4.514	0	10	BJAE	
CCCC1CCC(NCC(C)(C)CCC)CC1	1973174633	ZPKSFCBRMOWGMP-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(Cl)c(N[C@@H](C)CCC2CC2)c1	1975842309	LURUWLUWILGUOW-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CC[C@@H](C)c1csc([C@@]2(C)CC=CCC2)n1	1976659238	BWEFEKVQTNRBOQ-RISCZKNCSA-N	235.396	4.654	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCCCCC[C@H]1N	1980340277	VCYBGIQJLOQJBW-ZIAGYGMSSA-N	225.420	4.501	0	10	BJAE	
CCCCCC(C)(C)CNCC(C)=C(C)C	1989619079	IGWZUQIYHFTJDT-UHFFFAOYSA-N	225.420	4.539	0	10	BJAE	
CCCC[C@H](C)CCC(=O)CCCCSC	1995214578	NADQEQVXKIXQJQ-ZDUSSCGKSA-N	244.444	4.695	0	10	BJAE	
C[C@H](NCCCC1CCC1)C1(C)CCCCC1	1995987633	UZKDRFLUPAAHHG-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H]([C@@](C)(N)C2(C)CCCCC2)C1	1995989718	ZTCAHTGCOUFJSL-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@@H](C(=O)CC[C@H](C)C(F)F)C(C)C	1996094099	KHHHAYFHQWSAGW-NWDGAFQWSA-N	248.357	4.555	0	10	BJAE	
C[C@H](CC(=O)CC[C@H](C)C(F)F)CC(C)(C)C	1996106313	MMKUIWQBGBOJCU-MNOVXSKESA-N	248.357	4.699	0	10	BJAE	
CCCC[C@H](CC1CC(C(C)(C)C)C1)NCC	1998241834	VDRVVDIWBBKGJD-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C(=O)[C@H]1CCCC(C)(C)C1)C1CCCC1	2000104156	CKLVRHCDFYHHRQ-OCCSQVGLSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C1CCCC1)C1(CCC)CCC1	2000387974	PILFFICHTOVXDS-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@](C)(CNCCC)[C@H]1CC[C@H](C)C1	2000508945	MXLJZWUCFQMUTO-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCN[C@H](C)[C@H]1CCC[C@H](C)C1	2003019581	XHWMXSDBDIEEHC-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@@H]1CCCC2(CC2)C1	2003191935	QTMDESCCCOLMGF-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)CNc1ccc(C)c(C)c1	2004705170	FYGJTUWUCPEPSS-UHFFFAOYSA-N	233.399	4.932	0	10	BJAE	
CC1([C@H](N)C2CCCCC2)CCCCCCC1	2004919606	BDJCNXHTZFGZTD-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC1(C(=O)[C@@H]2CCC2(C)C)CCCCCCC1	2004936941	HPJDYWQIRQXFDR-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)[C@@H]1CCCCC12CC2	2005594980	HODMWCZIRIYNKL-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC)C[C@@H](CCC=C(C)C)C1	2006629254	DXDIGIYNHKQRPH-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C(C)C)[C@@H](O)C=C1CCCCC1	2007921247	LPNTZIASMOUXKM-CVEARBPZSA-N	238.415	4.556	0	10	BJAE	
CCCCC[C@H](C)NCC1(C2CC2)CCCC1	2008470367	JEYQVVWZUIDTQS-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCC1CC(Nc2cccc(C3CC3)c2)C1	2009714224	MWWAUNNKZLCHQD-UHFFFAOYSA-N	229.367	4.555	0	10	BJAE	
CCCC1CC(N(C)C[C@@H](C)CC(C)(C)C)C1	2009777976	SVNZMHZQGNMLBI-NFOMZHRRSA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@@H](C)CC(C)(C)C)CC1	2010763504	LKGWFTQSDFOFSV-GZBFAFLISA-N	237.431	4.523	0	10	BJAE	
Cc1cccc(NCC[C@]23CCC[C@@H]2C3)c1Cl	2010995714	SGOWFJFWPHIIJO-DOMZBBRYSA-N	249.785	4.641	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC12CCC(CC1)CC2	2012819515	RHDFNLHDGCVMQU-NPCAHTBFSA-N	238.415	4.534	0	10	BJAE	
Cc1c(C(=O)CC2CCC2)sc2ccccc12	2014308085	YQLKKLSUMNQGFE-UHFFFAOYSA-N	244.359	4.583	0	10	BJAE	
CC(C)[C@@H](C)CC1(N)CCCCCCCCC1	2015411176	YWGXMQYBFNXSRP-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CCC1(C[C@](C)(O)C(C(C)C)C(C)C)CCC1	2015584080	CEBHSGGWMSREAL-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CCc1ccc(N[C@H]2CC[C@H]3C[C@@H]2C3)cc1Cl	2015647945	LZFXZFPQTCSLHA-NVBFEUDRSA-N	249.785	4.503	0	10	BJAE	
CCN[C@H](CCC1(C(C)(C)C)CCC1)C(C)C	2017141033	MCKGHTQSRIULKQ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C/C=C/CCC[C@H](CC[C@@H]1C[C@@H]1C)NCCC	2017242273	KHTJNQMDKSWMRN-DEOFCCLISA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@H](C)N(C)[C@H](C)[C@H]1CCC[C@@H](C)C1	2019297082	GTCWESSWYXSCHQ-QXSJWSMHSA-N	239.447	4.568	0	10	BJAE	
Cc1ccc2ccn([C@H]3C=CCCCC3)c2c1	2019532429	LTWKWIPHQZWGFU-HNNXBMFYSA-N	225.335	4.621	0	10	BJAE	
OC1(CC2=CCCC2)CCCCCCCCC1	2019780884	UHFLOYQCXDMHPC-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2CC[C@H](C)CC2)C1=O	2020390981	HNPPMCDCZOSEQC-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CC(=O)[C@H]1C[C@H]1C1CCCCCC1	2022414877	NXDYMXNIUVTLCO-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@H]1C[C@@H]1C(C)C	2022555213	VNEVDQFLOYPTIO-RBSFLKMASA-N	238.415	4.700	0	10	BJAE	
CC[C@@](O)(C[C@H]1CCCC(C)(C)C1)C(C)(C)C	2024125377	TVWJDXJIQCHKMS-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H](C)C1CCC1	2026075173	SVBQQWCGPUBXQL-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCc1cccc2ccn(CCCC3(C)CC3)c12	2027839396	HZKKWONVAXNIDI-UHFFFAOYSA-N	241.378	4.784	0	10	BJAE	
CC1(C[C@](C)(F)c2cccc(N)c2)CCCCC1	2027946675	AYXGSMXRMJAVLB-INIZCTEOSA-N	249.373	4.814	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3CC[C@H]32)CC1	2027964352	MLZFENNVXRKAFN-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](NC)c1ccc(C)cc1C	2028262870	KWZIEBIPXXGKOD-NVXWUHKLSA-N	247.426	4.636	0	10	BJAE	
CC(C)(CCN[C@@]12CCCC[C@H]1CCC2)C1CC1	2031789244	PRFBYTUCYSPNCV-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CCC(C(=O)C2[C@H]3CCC[C@H]23)CC1	2033483752	CKIAFIMIDLENMX-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2C[C@@H]3CCCC[C@@H]3C2=O)C1	2034264583	QZVRAUBNUIHBTN-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CCCCC1CCC([C@H](N)C2CC3(CC3)C2)CC1	2036182873	SBRVVLRWYYEYHB-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	2037134701	ZFQRNWWOUDYQRF-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)C1CCC(N)(CC2=CCCC2)CC1	2037161022	UDDRONSSCFHORW-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)[C@H]2CCC3(CCCC3)C2)C1	2037754227	CNVXVBQXTGOXNQ-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
NCC[C@H]1CCCC(=C2CCC3(CCCC3)C2)C1	2038877015	QQLZINOZPOZXTQ-CQSZACIVSA-N	247.426	4.566	0	10	BJAE	
C[C@H]1CCC[C@@H]1NC1CC2(CCC(C)(C)CC2)C1	2038932181	ALVJBMYSQLEGFL-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
C1CCCC(CNC2[C@H]3CCC[C@H]2CC3)CCC1	2042024900	QFTQGZMXZYDRKJ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)[C@@]1(C)CC=CCC1	2042027250	LJRKEPNGKOPXRL-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CNC[C@@]2(C)CC=CCC2)C1	2042072231	NNQPSGWOXHCOBA-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CC(C)CNCC1(CCCC2CCC2)CC=CC1	2042093404	GXEHBZXOAIPDCC-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCc1ccc2[nH]c3c(c2c1)C(C)(C)C(C)(C)C3	2042333496	UUDMRQLQLRZIGH-UHFFFAOYSA-N	241.378	4.590	0	10	BJAE	
C[C@](O)(C1=CCCCCCC1)C1CC2(CCC2)C1	2043546381	HXHMKBJBIWRHON-INIZCTEOSA-N	248.410	4.598	0	10	BJAE	
CC1CC([C@@H](C)N[C@H]2CCC3(CCCCC3)C2)C1	2043552796	HMQRSJPKIIKZAZ-KNIAUWFNSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](C[C@]1(N)CCCCC12CCCCC2)C1CC1	2047559954	JOZBXWSANDBMGK-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)[C@H]1CCC12CCC2	2047928372	JQIXLAVUTAXCBT-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@@H]1CCCC(C)(C)C1	2049492472	JGCRHPKLQMKFAZ-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1CCC(C)CC1)[C@@]1(C)C=CCCC1	2050009441	YEVKWPNLEUNMDI-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC[C@@H]1CC1(C)C)[C@]1(C)C=CCCC1	2050011195	ZSJQZTQNMAFNJM-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC1(CN[C@@H]2C[C@H]3CCC[C@H]32)CCCCCCC1	2052506762	ZUKTZCARFNCIFB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC=CCCCc1ccc(N2CCCCC2)cc1	2059223599	PKMYWNNLAWRMPN-UHFFFAOYSA-N	243.394	4.576	0	10	BJAE	
CC=CCCC[C@H](C[C@H]1C[C@@H]1C1CC1)NCCC	2059268095	VMQOFVFHOQCYTR-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)C1=CCC(C)(C)CC1	2061114180	WFNAJYSUYKQOQW-RDJZCZTQSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1CC=C(C[C@H](N)c2cccc(C)c2)CC1	2061142280	BOHNGAVDWCVNRZ-PBHICJAKSA-N	243.394	4.521	0	10	BJAE	
C=C=CCC[C@]1(CNCCC)CCC[C@@H](CC)C1	2061563490	PJRHGGLLCAENLQ-SJORKVTESA-N	249.442	4.694	0	10	BJAE	
CC[C@H]1CCC(=O)[C@@H](CC2CC(=C3CCC3)C2)C1	2061696380	OXBMSDIXKZKWSV-BLLLJJGKSA-N	246.394	4.662	0	10	BJAE	
CCCC1CC(C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1	2063423250	JBILLARAXXJSCI-ADHHOBDDSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CC12CCC(CC1)CC2	2065285123	BLZJIGXUXCVRJO-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068710021	GUUBQSSTQSVAGG-KYVLXBHFSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H](O)c2cc(C)cc(C)c2)CCC1	2069340005	PXSBPCFFHCKILV-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CCCC1(C[C@]2(N)CC[C@@]3(C(C)C)C[C@@H]32)CCC1	2069343228	XLQWUZFAEMRJRQ-BHYGNILZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@]23CCC[C@@H]2C3)CC1	2070966069	FQZWJKLCADDGKT-WCXIOVBPSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc([C@@H](N)CCC2(C(C)C)CCC2)cc1	2071940050	GYFCVKLKELBRBT-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@@H](O)c2ccc(C)cc2)CC1	2072663513	UKKNWSCIDKSYNS-BFYDXBDKSA-N	246.394	4.635	0	10	BJAE	
Cc1cccc([C@@H](O)C[C@H]2CC[C@H](C)CC2)c1C	2072670073	VFPCDRLQQDMCGJ-NUTKFTJISA-N	246.394	4.553	0	10	BJAE	
CCCC1CCC(C[C@H](N)c2coc(C)c2)CC1	2072797224	XKZLRYZAKWVTAY-XUJLQICISA-N	249.398	4.584	0	10	BJAE	
Cc1ccc(C(=O)CC[C@]23CCCC[C@@H]2C3)cc1	2074050900	MMUGCDSGUDVNRJ-WBVHZDCISA-N	242.362	4.538	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@H]1CCC2(CCC2)C1	2074896505	PZIHPMHDLQNRSC-PMPSAXMXSA-N	249.442	4.610	0	10	BJAE	
CC1CCC(N(C)[C@H]2CCCCCC23CC3)CC1	2075113879	GENXHVLKEZOPPK-GPANFISMSA-N	249.442	4.610	0	10	BJAE	
CCCCc1ccc(N[C@H]2C=CCCCC2)cc1	2075361674	AUAYDORUZFFHIS-INIZCTEOSA-N	243.394	4.940	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2CCC[C@@H]3CC[C@H]32)c1	2077265384	RGMCGAHPAIJHCQ-SRCQZFHVSA-N	241.378	4.555	0	10	BJAE	
c1cc(C2CCC2)ccc1N[C@@H]1CCC2(CC2)C1	2078338081	PWQDBPHUXMIDOX-MRXNPFEDSA-N	241.378	4.699	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@H]2C[C@@H]2C2CCC2)CC1	2079323601	IUSJPCITRWDRQQ-CABCVRRESA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2079438786	JWVXLYXHZMOISF-LVQVYYBASA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CNc1ccccc1C1CC1	2079623253	FVJLOUCVDBCACN-DZGCQCFKSA-N	243.394	4.658	0	10	BJAE	
CC[C@H](C)n1nc(C(C)C)c(C2CC2)c1Cl	2079773231	CPCNLKVCHSUQRL-VIFPVBQESA-N	240.778	4.508	0	10	BJAE	
CCCN[C@H](CC)c1cccc(CCC(C)C)c1	2082702172	FAOYDYRIXYDRDQ-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CC1(C)C[C@@H](N[C@H]2CCCCCC23CC3)C1(C)C	2084368724	RIMAPHQHIBSOAL-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1cc(C)cc(C)c1	2086054955	XAWFPNGJGARABQ-SUMWQHHRSA-N	247.426	4.910	0	10	BJAE	
CCCCC[C@H](O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213275622	PRMLGOPHXKXVOP-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@@H](N)CCCCCCC1CC1	2213576678	SSFAMEDBKVEDEY-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CCC[C@H](CCCCCCC2CC2)C1=O	2213578072	ILNSWLVZTIAEDE-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)c1sc(C)cc1C	2213642585	RYXWQZPUMPKEDX-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CC=CCCC[C@H](NCCC)C(C)(C)CCC	2216278399	JXIXDNDADKNGJB-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
C[C@@H]1CC[C@@](N)(CCCCCCCC2CC2)C1	2216883633	MMHSZYRTELDUIW-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CC1(C)C[C@H]1[C@@H](O)CCCCCCCC1CC1	2216890452	GHKZUUZVBFOOOU-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)NC[C@]1(CCC(C)(C)CC)C[C@H]1C	2217132340	XFYKTMYWVQZXNT-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(Cl)ccc1N[C@H]1CCC2CC1C2	2217278688	GWYNYJSJAYZPGJ-QHAMSDLMSA-N	249.785	4.503	0	10	BJAE	
CN(CCCCCCC1CC1)C[C@H]1CC=CCC1	2218729896	FIBIPIRMKBTRCL-KRWDZBQOSA-N	249.442	4.635	0	10	BJAE	
C[C@@H]1C[C@@H](CCCCC2CC2)c2ccccc2N1	2220047206	WITVPSIAIBHIKQ-UKRRQHHQSA-N	243.394	4.945	0	10	BJAE	
CC1([C@H](N)C2=CCCCCCC2)CC2(CCC2)C1	2221002907	SCAFFHPCYWRCRB-OAHLLOKOSA-N	247.426	4.565	0	10	BJAE	
C1CC(NCCC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2223598964	QLODLMJEHWUOLJ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCCCC(=O)CCc1ccc(C2CCC2)cc1	2223704142	OQJAYKYLUYFXSN-UHFFFAOYSA-N	244.378	4.646	0	10	BJAE	
CCC1(C[C@@H]2CCc3cc(C)ccc3N2)CCC1	2224123682	ICCAXXJRANHDNZ-HNNXBMFYSA-N	243.394	4.692	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)c1ccc2occc2c1	2224134444	IKWXJVAIYHMLOF-IAQYHMDHSA-N	246.350	4.539	0	10	BJAE	
CCCCC[C@](O)(CC)c1csc(C)c1C	2242645311	UDLQMMOYEDGMJA-CQSZACIVSA-N	240.412	4.543	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@@H]1CCCCC12CC2	2246614307	JPQHMVYZXIALJZ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC[C@H]1CCC[C@H](C)C1	2246726713	KYRZGRYMIXZLIG-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C(=O)c1cc2ccccc2s1)C1CC1	2246952184	KTSXOYWCWFJFTB-UHFFFAOYSA-N	244.359	4.520	0	10	BJAE	
C[C@@H](C(=O)CCCC[C@@H]1C[C@H]1C)C1CCCC1	2247160509	VFOCWEBNAUPALD-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@@H]1CCC1(C)C	2247437843	CIAZIBAPIDTCJW-AWEZNQCLSA-N	239.447	4.602	0	10	BJAE	
CN[C@H](CCCCC[C@H]1C[C@@H]1C)CCC(C)C	2248805852	CSDAZYIELOWJIG-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)CC(C)(C)F)C1	2251585130	RIJODITXGHCLBA-UHFFFAOYSA-N	242.378	4.546	0	10	BJAE	
CC1(C)CC[C@@H]1[C@H](N)CC[C@@H]1CCCCC12CC2	2253821372	ZOUJBCRHGJZQLL-RRFJBIMHSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC[C@@H]1CCC[C@H](C)C1)[C@@H]1C=CCCC1	2253917505	IZPRXNNPVPUWJS-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCCC[C@]1(N)CC1CC2(CCCC2)C1	2254111521	YLYAZKSOZZZUQS-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(N)CC1CC2(CCCC2)C1	2254114113	LFJPGULNNBVLCT-WBVHZDCISA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C(=O)CCCC[C@@H]2C[C@@H]2C)c(C)c1	2254612470	WJENDSNHXQEWPM-DZGCQCFKSA-N	244.378	4.703	0	10	BJAE	
CCNC[C@]1(CC2=CCCCC2)CCCC1(C)C	2255088270	ABCCNGBFVPCVSU-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CNC[C@@H]1CCC(C)(C)C[C@H]1CC1=CCCCC1	2255138971	CPHRQFFLRJGBIH-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CC[C@@](CN)(CC[C@@H]2CCCC23CC3)C1	2255256615	ACXAIQNPMHPTOW-OWCLPIDISA-N	249.442	4.502	0	10	BJAE	
CCCC1CC(C(=O)CC[C@H]2CCCC23CC3)C1	2255309122	SPPKDVDOAJYSIH-YMAMQOFZSA-N	248.410	4.742	0	10	BJAE	
CCCc1ccc(CC(O)(CCC)CCC)cc1	2256233557	ZWCAYHJMFPNLQY-UHFFFAOYSA-N	248.410	4.513	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)C[C@H]2CC[C@H](C2)C1	2257362114	PXTUVHLAWXSSAN-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(N[C@@H]2CC3CCC2CC3)cc(C)c1C	2258237042	KSGCUKYLICPYHS-VMBOVVBDSA-N	243.394	4.602	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1ccc(CC(C)C)cc1	2259438098	ODJXYUBXMPVMSH-NVXWUHKLSA-N	248.410	4.745	0	10	BJAE	
CCCc1cccc([C@@H](NC)[C@H](CC)CCC)c1	2259444717	QOCNMBKFRLDUST-WBVHZDCISA-N	247.426	4.726	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@]12CCC[C@H]1CC2	2260499880	HIDKVGHYRZWBQW-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@H]1[C@H](C)C[C@H]1Nc1cccc(C2CCCC2)c1	2260663761	SNZZOYIYIMGCJJ-IIYDPXPESA-N	243.394	4.801	0	10	BJAE	
CCC1([C@@H](O)c2cccc(C3CCCC3)c2)CC1	2260732214	WKYDASULKBLIBN-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CC[C@@H](C)Cc1csc([C@@H]2CCC[C@@H]3C[C@@H]32)n1	2297897024	DUBCGRHSUJZLIY-OXHZDVMGSA-N	249.423	4.635	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H](C)CC1CCC1	2298896157	NIIOWTPISAYVDX-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
CCC(CC)CC[C@H](N)C[C@@H](C)CC(C)(C)C	2300683679	MFIROMAXCYUOCW-HIFRSBDPSA-N	241.463	4.993	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](CC)CC[C@H]1CN	2300702177	VSJCIEGCOKYGHF-OAGGEKHMSA-N	239.447	4.604	0	10	BJAE	
CC(=CC[C@H](O)[C@H]1CC[C@@H]1C)CCCC(C)C	2300865159	KAJQGRWJFKIBNU-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CC[C@@H]1CC[C@@H]1Nc1cc(F)ccc1C(C)C	2301913151	OVKOTEXVYQWWIA-RISCZKNCSA-N	235.346	4.550	0	10	BJAE	
CN[C@H](CCCCC1CC1)[C@H](C)CCC(C)C	2302571226	IMBWYBQGBUAJFM-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CC(F)(F)CCCC(=O)C[C@@H]1CCC(C)(C)C1	2302758626	OSKDRQLCDKQUQC-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCC(CCC)NC[C@H]1CC[C@@H]1C(C)(C)C	2303404802	GKPVXCXDRVSZRE-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1CCC1(O)CCCCC1	2303460946	FQJGESMHATYKGO-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@](C)(O)C[C@@H]1CC[C@@H]1C(C)(C)C	2303505760	KJBAUNRFGKNYRQ-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)c2ccc(C)s2)CC1	2303525100	MSLYMBVGHHBMTK-KGLIPLIRSA-N	249.423	4.583	0	10	BJAE	
CCN[C@H](C)C[C@H](C)C[C@@H]1CCC(C)=C(C)C1	2303527573	VKILTWBGWAEZHL-MAZHCROVSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC)CN(C)C1CCC(C)(C)CC1	2307752043	NIGYLIDONRZSNO-AWEZNQCLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@H](C)C1CCCCC1	2307902276	KJBYBWNPRIWKTF-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1CCCC[C@H]1N[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2309185203	SJTZDPIXZVMBKE-SMLCLMEVSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CC1(C)CCCCC1)[C@@]12CCCC[C@@H]1C2	2311130437	PGHHVLMIRPOOFQ-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1cccc(N[C@H]2C[C@@H]3CCC[C@@H]32)c1	2313072776	BRMUIKVFUPXVHV-RCBQFDQVSA-N	243.394	4.585	0	10	BJAE	
CCC(CC)CCN1[C@H]2CC[C@H]1c1ccccc12	2316240456	NCNOHNRAOFJQND-IRXDYDNUSA-N	243.394	4.705	0	10	BJAE	
CC(=CC[C@@]1(CN)CC=CCC1)CCCC(C)C	2316499127	KLZKDXIMHAGKMR-QGZVFWFLSA-N	249.442	4.834	0	10	BJAE	
CC(=CC=C1CCC12CC(N)C2)CCCC(C)C	2316557558	PIZJSCZRGIVWQN-UHFFFAOYSA-N	247.426	4.587	0	10	BJAE	
C[C@@H]1[C@@H](Nc2ccc(C3CCC3)cc2)CC1(C)C	2318184157	RMYOMYHGYFCVMF-WBMJQRKESA-N	243.394	4.801	0	10	BJAE	
CC[C@@](O)(C[C@H]1CCC(C)(C)C1)c1ccccc1	2319081938	SYSMTSYPHQZTJC-WMLDXEAASA-N	246.394	4.501	0	10	BJAE	
Cc1c(F)cccc1C(=O)C[C@H]1CCC(C)(C)C1	2319123128	IFZDFCPQKDHJFB-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1C(=O)C[C@]12CCCC[C@@H]1C2	2320212905	GFXQPVTXRKIWGW-UMPJEAMMSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@]23CCCC[C@@H]2C3)C1	2321619853	PPNHSCWMGJQYQE-JJRVBVJISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@]2(C)C=CCCC2)C1	2321627591	ZKGWYMBPVPSPRS-RHSMWYFYSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CC[C@H](CC[C@]2(N)CC[C@@H]3CCC[C@@H]32)C1	2321646048	UCGWUANKYKZGAF-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H](C)c1ccccc1	2328264659	DJIFGQBISWGKBE-VYDXJSESSA-N	247.426	4.595	0	10	BJAE	
C=COC[C@H](C)CCC[C@H](C)CC(C)C	2023939	SSOZLSNWPFIHKP-UONOGXRCSA-N	212.377	4.635	0	10	BJAE	
CCCc1ccc(N[C@@H]2CCC[C@@H](C)C2)cc1	20554248	WJEXXVHRTHUJCM-CZUORRHYSA-N	231.383	4.630	0	10	BJAE	
CC(C)CC[C@H](C)Nc1cccc2c1CCCC2	21030103	GCPICVSJFPAOET-AWEZNQCLSA-N	245.410	4.802	0	10	BJAE	
CC[C@H](N[C@H](CC)CC1CC1)c1ccc(C)cc1	70105553	YHPIIRLHHLYQDW-SJORKVTESA-N	245.410	4.614	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2cc(C)ccc2C)C1	71106029	BVWYJQBQKKVWAC-LSDHHAIUSA-N	231.383	4.684	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccccc2Cl)[C@H](C)C1	82857372	UAVPQCYUPYAPMI-WZRBSPASSA-N	237.774	4.577	0	10	BJAE	
CC[C@@H]1CCC[C@H](NC2CCC(C)CC2)CC1	86893777	XTDKGWSPEVYBPG-FYRZTWFESA-N	237.431	4.514	0	10	BJAE	
CCCCCC1(O)CCC(C(C)(C)CC)CC1	87163917	WGPHTJMJAIQFHX-UHFFFAOYSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](c1ccccc1C)C1CCCCCC1	87947673	HCWLEYKFHSOCPQ-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CCCCC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	94546964	MPVSNGWQROKSRF-JOHJCKIYSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C)c(OCc2ccc(Cl)cc2)c1	95081042	IDUODRYXOLCEGZ-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
Cc1c(F)cccc1N[C@H]1C[C@H](C)CC(C)(C)C1	109939547	WYKRDNVCKVGKGZ-AAEUAGOBSA-N	249.373	4.761	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@@H]1CCC[C@H](CC)C1	126066969	LCJGGHHLWQAMON-IMJJTQAJSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC(C)(C)C)C1CCC1	131211846	NQYZSACPPCATOS-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1csc([C@H]2CCCCS2)n1	132274054	QUTGMQGCQZTUNP-GXSJLCMTSA-N	241.425	4.615	0	10	BJAE	
CCCCCC[C@H](CCC1CCCCC1)NC	158400491	GHGUYJBROLUGAT-MRXNPFEDSA-N	239.447	4.905	0	10	BJAE	
CCN[C@@H]1C[C@H]2CCCCCCCCCC[C@@H]21	162385101	WIIMFZBZHFZTGR-OWCLPIDISA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)[C@@H](C)C2CC2)cc1	163401030	PFEUDOFRJGZXHR-LBPRGKRZSA-N	244.378	4.603	0	10	BJAE	
CCCN[C@@H](c1cccc(CC(C)C)c1)C(C)C	165736496	VYETVTIKKCXQOB-QGZVFWFLSA-N	247.426	4.582	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)C1=CCCCCC1	203425746	KXLSREWTOIPDFP-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)C1C(C)(C)C1(C)C	203542078	OJUAMDCAYPRDEP-AWEZNQCLSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc([C@H](O)[C@H]2CCC[C@@H](C)C2)cc1	217910779	IWSOOAZQXIADEN-COXVUDFISA-N	246.394	4.670	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H]1CCC[C@@H](C)C1	227550255	MXZYFXZBFOQBEI-FVQBIDKESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)(C)C)C(CC)CC	228692532	MAQPDAQQNIRWAR-UKRRQHHQSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H]([C@H](C)CC)C1(CC(C)C)CCCC1	228807385	YNMJAYQRGQKVFF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](NCC=C(C)C)c1ccc(F)cc1	228838334	YRIVULBGCOKVBJ-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@@H](C)CC(C)C	300947890	PJDKATRPICCWNK-KKUMJFAQSA-N	228.420	4.636	0	10	BJAE	
Fc1cccc2c1ccn2C1CCCCCC1	301708772	OIQVUYQFVAWGHS-UHFFFAOYSA-N	231.314	4.676	0	10	BJAE	
CC(C)C[C@H](C)Cn1ccc2c(Cl)cccc21	302282634	FLFFAIVOWVYOOR-LBPRGKRZSA-N	249.785	4.977	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1ccc(C2CC2)cc1	305902679	BOCAGXJIEQBTPM-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
Cc1sc2cc(Cl)ccc2c1Cl	306835956	SHDHVIWAJVXMBG-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CSc1cc2c(Cl)c(Cl)ccc2s1	306868271	QKWBFMUBYRTKFQ-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CSc1ccc(Cl)c2c(C)csc12	307182222	NROGMKSKGWQQQH-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CSc1c(Cl)c(Cl)cc2ccsc12	307471019	OZKVQUREIWVXDL-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](O)c1csc(C)c1	308020698	JODHWKOKROSTTD-JSGCOSHPSA-N	240.412	4.552	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(O)C[C@H]1CCC[C@@H](C)C1	310125600	JCDHHRUDIURALP-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCC[C@@H](C)CC2)CC1	310296522	AQGINBUZNXWLSR-PRLABOORSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C(C)(C)C(C)(C)C	310544496	DFPZYQFYHCNFRZ-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
C/C=C/C[C@]1(CNCCC)CCC[C@@H](CC)C1	317563387	AIYALHXJJRZPCQ-YFWHOBGESA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@]1(CNC(C)(C)C)CC[C@H](CC)C1	317774231	BWBFTMUVMPEWGH-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC(C)C)CC[C@@H](C)C1	318017490	FNKNYDODIFXFKQ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)[C@H](C)C(C)C	319705560	YKJFGDHURYZPCW-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1)[C@@H](C)[C@H](C)CC	320160715	XVRZQJHVVXXDSV-VYDXJSESSA-N	247.426	4.636	0	10	BJAE	
CC[C@H](Nc1ccccc1C(C)(C)C)[C@@H]1C[C@@H]1C	322226575	YQQOEAMTQWRFOT-GUTXKFCHSA-N	245.410	4.831	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)c1cc(C)cs1	379234131	UDYYUMQWMHGDOJ-AAEUAGOBSA-N	239.428	4.533	0	10	BJAE	
CC(C)CCCCCN[C@H]1CCCCC[C@H]1C	383257335	LFPGFOATYOMLJN-CVEARBPZSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@](C)(CNC)C[C@@H](C)C1CCCCC1	383898864	WBHDHXWAAMARIR-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CC(C)Cc1cccc([C@H](O)[C@H](C)CC(C)C)c1	384468470	RGFWXQBALZOVQA-RHSMWYFYSA-N	248.410	4.601	0	10	BJAE	
CCCCC[C@H](NCCC)[C@@H]1CCCC[C@@H]1C	384554109	QOYMGCLAGFFYJC-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@H](C)CC(C)(C)C	385196272	QJDNQQZNSADWED-ILXRZTDVSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@H](CC)CC(=O)[C@@H]1C[C@@H]1CC(C)C	387981306	IEHRSAJCPUOVQA-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
CCCCC[C@H](C)NCC(C)(C)CC(C)C	391180397	UKIDSAZEGHSLAM-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@H]1CCCC12CCC2	394744837	PPDSLTWVDKTEJA-AWEZNQCLSA-N	249.785	4.783	0	10	BJAE	
C[C@@H](CC(C)(C)C)NCCCC1CCCCC1	395183412	GTEUVIOHYQKUFK-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
Cc1cscc1N[C@@H](CCC(C)C)C1CC1	395644094	GJDVCDMGMOLMLY-ZDUSSCGKSA-N	237.412	4.683	0	10	BJAE	
CCc1cc(C(F)(F)F)c2sccc2c1F	396302581	SKAGQJXFMNBHGD-UHFFFAOYSA-N	248.244	4.622	0	10	BJAE	
CSc1ccc2c(C)csc2c1C(F)F	396414331	ZUGOSTALYOCZBH-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1ccc(C)cc1F	401860773	YZXDNCKQOOHCDM-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@H](C)CCC	402373366	ZZMGBXJZQJDPHX-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCCCCCC(=O)C[C@@H](C)CC(F)(F)F	402738029	QODBABFARDRFBX-SNVBAGLBSA-N	238.293	4.505	0	10	BJAE	
CN[C@H](CCCC1CC1)C[C@H](C)CC(C)(C)C	405771400	ZZFKRDFAZKNULW-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(N)(CCC2=CCCCC2)CC1	690297641	BBZXWKZFDYIMMN-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCN[C@H](CCCC1CC1)[C@H]1CCCC2(CC2)C1	695942685	RPDVWKBBQGNFMB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C1CCC(CCN[C@H]2CCCC[C@@H]2C2CC2)CC1	696111664	QTEHTMWRUMHBJF-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCC(C)(C)CC)[C@@H]1C	696699838	BKYUXUKJRUTXBZ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCCC(C)(C)CC)c1ccccc1	696804397	XZTXDDHGZUEENV-MRXNPFEDSA-N	247.426	4.944	0	10	BJAE	
CCC(C)(CC)C(=O)c1cccc(C(C)(C)C)c1	701388080	DWFATFVPKXSEBI-UHFFFAOYSA-N	246.394	4.993	0	10	BJAE	
CC(C)NC[C@@]1(CCC2=CCCCC2)CC1(C)C	702214999	LOYODZLRYQBSEN-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)[C@@H]1CCCCC1(C)C	704993774	NAXOYWWHMOVJEN-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@H]1C[C@H](C)CC(C)(C)C1	708873182	OYIZPRCEPNVTTH-IHRRRGAJSA-N	239.447	4.616	0	10	BJAE	
C[C@H](C[C@@H]1CCc2cc(N)ccc21)CC(C)(C)C	709097724	RRMKIVBFMCWYNZ-OLZOCXBDSA-N	245.410	4.761	0	10	BJAE	
C[C@H](CN[C@H]1CCCC(C)(C)C1)CC(C)(C)C	709132940	YLRMCBUZHAEHNL-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
O=C(CCC1CCCC1)c1cscc1Cl	710432307	LDWMOWAVHJIDCQ-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CCCC[C@@H](C[C@@H](CC)C(C)(C)C)NCC	711060756	DEJXNFLLTMJTNY-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C[C@@H](COc1cccc2ccccc12)C(C)(C)C	711248953	NRFGSPJEELXMEL-ZDUSSCGKSA-N	242.362	4.901	0	10	BJAE	
C(CN[C@H](C1CCCC1)C1CCC1)CC1CCC1	711912494	LTCSXPSLTNGWDF-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1c(C)oc2ccccc12	713171042	VFSFGGYHKQVPCY-ZDUSSCGKSA-N	246.350	4.601	0	10	BJAE	
CCC(C)(C)COc1cccc2ccccc12	713237403	VUSCXAJFEXETQY-UHFFFAOYSA-N	228.335	4.655	0	10	BJAE	
CCCCC1CCC(C(=O)CC(C)(C)C)CC1	713305023	UULOJCYTHVBADV-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
O=C(CCC1CCC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	714498116	FYLGHTNKLHNIAU-ARFHVFGLSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@@H]1C1CC1)CC1CCCCCC1	714769726	FNJLQGGOJNJEDZ-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC(C)(C)C[C@H]1N	717528969	QEGKKTGQTUCRMZ-HUUCEWRRSA-N	239.447	4.747	0	10	BJAE	
CCCNCC1([C@@H](C)CCC)CCC=CCC1	718132561	CGHZFMCCLWQPSJ-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)CC1CCC1	718651425	JCSDMQURIWOYSD-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCc1cccc([C@@H](NC)C(C)(CC)CC)c1	721663738	NXLVXNCIVFXELH-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
Cc1sccc1-c1ccccc1OC(C)C	1240501365	FONNLMFWQVYZJU-UHFFFAOYSA-N	232.348	4.511	0	10	BJAE	
CC[C@H](C)[C@@H](C)Sc1ccc(C)s1	1613868913	IAGZUSTZNMEQSI-WCBMZHEXSA-N	214.399	4.583	0	10	BJAE	
Cc1cccc(C)c1CSc1cccc(F)c1	1656335944	FBGRHQPVLJMUDW-UHFFFAOYSA-N	246.350	4.735	0	10	BJAE	
C/C=C/CCCC[C@@H]1CCCC1(F)F	1885358335	HWZUIZNZWRFATI-KXMPLOMGSA-N	202.288	4.558	0	10	BJAE	
Cc1sccc1-c1cc(Cl)sc1C	1889518011	IDOKSRQTEMEKEZ-UHFFFAOYSA-N	228.769	4.747	0	10	BJAE	
CCC(CC)(CC)C(=O)[C@@H](C)CC1CCC1	1899454870	VISOUDVDMSCQLF-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CC(=CC[C@@H](C)C[C@@H](C)N)CCCC(C)C	1900850567	ZXLGCOQQHSQORY-HUUCEWRRSA-N	225.420	4.523	0	10	BJAE	
CCCC[C@@H](O)CCCCC1=CCCCC1	1901965308	VTQQSJXVCHZWLA-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)CC1(O)CC(CC)(CC)C1	1905397742	IGMQLZKBETXKSR-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)c1scc(C)c1C	1905430417	AYXBENMGAGJNIX-OLZOCXBDSA-N	239.428	4.581	0	10	BJAE	
CCCN[C@@H](CCC)CC[C@H](CC)CCC	1905430984	GDUZTWMFKDXZTD-CABCVRRESA-N	227.436	4.761	0	10	BJAE	
CC(C)C(C(=O)C[C@@H]1C[C@H]1C(C)(C)C)C(C)C	1910808634	ZFLPXHAUHLXULG-QWHCGFSZSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](N[C@H]1CCC2(CCCC2)C1)C1CCC1	1916446368	XWLCMZVELNTXTH-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C1C[C@H](C)C[C@@H](C)C1	1919959855	MVYIBOTXWFGDRG-DSJMHWKBSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@@H](C)C(C)(C)C	1920186502	OMAIQRHUGJOZST-GUTXKFCHSA-N	227.436	4.602	0	10	BJAE	
CCCN[C@H](c1ccccc1)[C@@H](C)C1CCCC1	1924123140	AIPLHINVIHIRHY-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
C[C@H](C[C@](C)(CN)C1CCCCC1)C(C)(C)C	1924126141	JMXJSYYQWQZJOE-CZUORRHYSA-N	239.447	4.604	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@H]1C=CCCCC1	1925931109	XLMOETLCXDTTQI-HRCADAONSA-N	238.415	4.700	0	10	BJAE	
CCCCCC[C@@H](C)NCCC(CC)CC	1926143757	HALGLWPFMRNCIE-CQSZACIVSA-N	227.436	4.761	0	10	BJAE	
Clc1sccc1NCC1CCC=CCC1	1928193302	JKDFGRXVYJYHGQ-UHFFFAOYSA-N	241.787	4.560	0	10	BJAE	
C[C@H]1CC(C[C@@H]2C=CCCC2)C[C@H](C)C1	1932603933	JMSMITRRBQUJKH-MGPQQGTHSA-N	206.373	4.805	0	10	BJAE	
C[C@H]1C[C@@H](C[C@@H]2C=CCCC2)CC[C@H]1C	1932605593	XRWNLHKQULMYSC-BARDWOONSA-N	206.373	4.805	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@@H](O)c1csc(Cl)c1	1933587193	MXBHHGVULPXLGT-LDYMZIIASA-N	246.803	4.507	0	10	BJAE	
CCCC[C@H](NCCC)c1csc(CC)c1	1936772741	SQAGRGZTFMJTOB-AWEZNQCLSA-N	239.428	4.541	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)C1(C)CCCC1	1940406461	DCXJCUYXZFAEEO-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)C1(CC)CC1	1940410547	RUJOVLDAXJJWQO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@H](CC)C(C)C	1941273852	VUYDFMKFUAGTBV-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCC(C)(C)C)C(C)(C)C1CCCC1	1944639240	CPLRJNXFPXKXGZ-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@]1(N)CCCCCC1(C)C	1944843782	UMCSVBUFWDKVAG-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CO)CC12CCCC2	1948135129	FUVMXMBWFGFVBD-ZBFHGGJFSA-N	238.415	4.536	0	10	BJAE	
C[C@@H](C[C@@H](N)[C@@H](C)C(C)(C)C)C1CCCCC1	1948935137	SWQQFBRMTJUFON-GZBFAFLISA-N	239.447	4.602	0	10	BJAE	
CSc1cccc([C@H](N)CCC(C)=C(C)C)c1	1949046107	AUPPXLAGENQGPI-OAHLLOKOSA-N	249.423	4.545	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@H]1C=CCCCC1	1949138522	GTHOIUNSXTVFDJ-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CCC(C)(C)C[C@@H](O)[C@@H]1CCCC(C)(C)CC1	1950913810	KOPYXWZFFYZECW-ZIAGYGMSSA-N	240.431	4.780	0	10	BJAE	
Clc1sccc1N[C@@H]1CCC2(CCC2)C1	1959169587	NINHZSHKAZZIQY-SECBINFHSA-N	241.787	4.536	0	10	BJAE	
C[C@@H]1CCC[C@@H](N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)C1	1966072314	MEEBTKSWBYMCQR-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CCC(N[C@H]2C[C@H]2C2CCCC2)CC1	1967829172	YUBKTJPKHDCHCR-YZUHTNEWSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1CC[C@@H](C)C1	1968350534	UYOQQOQFLCRYMA-HIFRSBDPSA-N	246.394	4.933	0	10	BJAE	
CC[C@H](Nc1cc(C(C)C)ccc1C)[C@H]1C[C@H]1C	1968603052	VMBLWHKXJZOFNV-KBMXLJTQSA-N	245.410	4.965	0	10	BJAE	
Cc1ccc(-c2nc(C3CC3)cs2)cc1Cl	1971333723	QGQFXHMYYLKJOP-UHFFFAOYSA-N	249.766	4.649	0	10	BJAE	
CCC(C)(CC)CN[C@H](c1ccccc1)C1CC1	1973316437	UVKJVPBXEIZYFC-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
C[C@@H](Nc1ccccc1Cl)C1CC(C)(C)C1	1977364747	BDWFTGOLRYBPHG-SNVBAGLBSA-N	237.774	4.577	0	10	BJAE	
CCCC[C@H](CC)C(=O)CC1CC(CC)C1	1983359401	PORGIWFNMJWKHR-RUXDESIVSA-N	224.388	4.598	0	10	BJAE	
C/C=C/C[C@@](CC)(CCCC)CNC(C)C	1983585702	XZCULOVXKZOFRH-PPYMECGQSA-N	225.420	4.537	0	10	BJAE	
CC(C)CCC[C@@H]1CCC(C)(C)CCC1=O	1984462563	PUNDCYKGINBNKT-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC1CC(Nc2cccc(C)c2Cl)C1	1984692395	NJOIZYDHQROIEY-UHFFFAOYSA-N	237.774	4.639	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H](C)CC(C)(C)C	1990873125	LUELLPKDJXLCAJ-ZDUSSCGKSA-N	227.436	4.569	0	10	BJAE	
CC[C@H](C)Cc1csc([C@H]2CCC2(C)C)n1	1995460910	DNGRNPNRXHBEOK-CMPLNLGQSA-N	237.412	4.635	0	10	BJAE	
CCC1(C(=O)C[C@H]2CCC=CCCC2)CCC1	1999982137	WSHYVONPOKCRAL-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](NCCC)[C@@H]1C(C)=CCC[C@H]1C	2000385109	OEYYZDLVTMHTQN-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(CNCCC)CC(F)(F)CC	2000518397	NSQURKNNPFHGOV-CYBMUJFWSA-N	249.389	4.618	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C[C@@H]1CC12CCCCC2	2001254203	LYPUIMZRSDGXAH-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@@H]2CCCCCC[C@H]2N)CCCCC1	2003096742	ZTCVCBWPIAVCPP-LSDHHAIUSA-N	237.431	4.645	0	10	BJAE	
C[C@H](C[C@H](O)[C@@]1(C)C=CCCC1)CC(C)(C)C	2003333802	GYWYYYJGGVIOCI-YCPHGPKFSA-N	238.415	4.556	0	10	BJAE	
CCCC(CCC)CN[C@@H]1CC[C@H]1CC(C)C	2004713026	WAXRTVNWERUERI-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC([C@@H](O)C2(C)CCCCCCC2)C1	2004919671	BWKDMHJDZUMYOM-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CCCC[C@@]1(CN)CC1CCCCC1	2005588211	CIMGZEAZSOYQTQ-INIZCTEOSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@H](C)[C@H](C=C1CCCC1)NCCC	2007937710	QLIFKKLHSSPSBS-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CC(C)(C)CC	2007948340	UDOBKRHLXHPSNR-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](O)CCC2(C)CC2)CC1	2009540853	NOTBOLPWDHIALY-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC=CCCC[C@@H](O)C1CCC(CCC)CC1	2009598773	RMROOVMLBGUBOF-UYSNPLJNSA-N	238.415	4.700	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H](CC)CCCC	2009599058	VKXXWRSNANACMT-CVEARBPZSA-N	239.447	4.927	0	10	BJAE	
CC=CCCC[C@H]1C[C@@H](NCCC)C[C@H](C)C1	2009615783	BWDLEJMKSXXDHL-OAGGEKHMSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)[C@H](O)C1=CC[C@H](C(C)(C)C)CC1	2010718263	AOPASAGFMAABMO-GJZGRUSLSA-N	238.415	4.556	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)CCC[C@H]1C[C@@H]1C	2011577677	QMJKCUQEAOCKBG-SOUVJXGZSA-N	238.415	4.844	0	10	BJAE	
CCC[C@](N)(CCC[C@H]1C[C@H]1C)C1CCCC1	2011581105	OKPJOUGKCDRSJZ-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@@H]1CCC2(CCC2)C1	2013271611	UKINBKJZTXHJGR-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(NC2CC(CC(C)(C)C)C2)cc1	2014652459	NVZLVOJFFDJUGX-UHFFFAOYSA-N	231.383	4.622	0	10	BJAE	
CCN[C@H](C[C@@H](C)C(C)C)CC1(C)CCCC1	2015276615	ZHWNBLVQPPFKAY-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)CC(=O)C1(C)CCCCCCC1	2015388500	PCVMEMHHKDEAQX-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCC1(C[C@@H]2C[C@@H](CC)CC[C@@H]2O)CCC1	2015632180	JPKSPRCINOVYGL-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)C1(CC2CCC2)CC1)C(C)(C)C	2015788573	PMGHKTRGRPVGMQ-LBPRGKRZSA-N	236.399	4.598	0	10	BJAE	
C[C@H](CNC1(C(C)(C)C)CCC1)CC(C)(C)C	2017109968	LSKPQMOSRYZIRT-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1(CCC2(O)CCCCC2)CCC1	2017121959	VSDVFBHQSCWBIP-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCN[C@H](CC(C)(C)C)C1(C(C)(C)C)CCC1	2017133606	UWIKNCBSSAVJPN-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@]1(CC2(C(C)(C)C)CCC2)CCCN1	2017139267	SUGPWDXMWHBPMP-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@](C)(CNC)CC1(C(C)(C)C)CCC1	2017145450	IPBSORGMKNTHBZ-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)[C@H]1CCCCC1(C)C	2017476919	CEHIJLKPEJSWSN-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@]2(C)C[C@H]2C)CC1	2017663834	ZBNCVUARRQIVBQ-KQTLUZQSSA-N	236.399	4.598	0	10	BJAE	
CCCC1CCC(CCC[C@@H](CC)NC)CC1	2017733450	KIUUZBUZDVQPGZ-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@](O)(CC)[C@@H]1CCC[C@H](CC)C1	2018130968	MDHSALOSDXHGDJ-ARFHVFGLSA-N	240.431	4.924	0	10	BJAE	
CCCC1(C[C@](C)(O)C2CCC(C)CC2)CC1	2018964605	JDRWVZJAFKRZMR-NRXISQOPSA-N	238.415	4.534	0	10	BJAE	
CCCC1(CC(O)(CC(C)C)CC(C)C)CC1	2018978953	AOWINMRUJNZKJN-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](C)N(C)C1CCC(CC)(CC)CC1	2019305467	JOTWBQPVOKMXHU-AWEZNQCLSA-N	239.447	4.856	0	10	BJAE	
CC(C)CCCCCN(C)[C@@H](C)[C@@H]1CC1(C)C	2019343841	FJCDROXQRFVGGH-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H]1CCCN([C@H](C)CCC(C)C)CC1	2019406084	BXFWGDALGSMRSK-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CCCCCC[C@@](C)(O)CC(C1CC1)C1CC1	2019678934	AETGIOHEOVOAED-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)CCCCC(C)(F)F	2023295346	NNKDCTGAYWMNNN-NWDGAFQWSA-N	249.389	4.602	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](CC=C(C)C)NC)CC1	2023327716	MQEQYBXYFDNMNI-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@@H]1CCCC(C)(C)C1	2024092218	PENIDCWKUJFAMO-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H]1CC[C@@H](N(C)C[C@H](C)CC(C)(C)C)C1	2025600216	KYPXABGURSMOQM-RBSFLKMASA-N	239.447	4.569	0	10	BJAE	
CN(C1CCCCCC1)[C@@H]1CCC12CCCCC2	2026982264	YAJFLLOLCFDPGW-MRXNPFEDSA-N	249.442	4.754	0	10	BJAE	
CC1(CCC(=O)c2ccc(C(C)(C)C)cc2)CC1	2027733050	URMPBZVFCDKAAU-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
N[C@@H](CCCCCC1CC1)C12CCC(CC1)CC2	2028625001	FISBSQICSMXOMS-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
COc1ccc2c(ccn2[C@@H](C)CCC(C)C)c1	2029834749	ABHSYZOWTNDUKB-ZDUSSCGKSA-N	245.366	4.647	0	10	BJAE	
CC(C)C[C@@](C)(O)c1ccc(C2CCCC2)cc1	2031746548	QEKPPJWUYWNMAD-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC(C1CCC1)C1CCC1	2035404767	RPRNFGIKMVKWJQ-CZUORRHYSA-N	249.442	4.514	0	10	BJAE	
CCCCC1CCC([C@@H](N)C[C@@H]2C=CCC2)CC1	2035596407	BQSTVHQMIOBNEM-MYBQVCMBSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)[C@H]1CCC2(CCCC2)C1	2037597033	ZOEXMVNAFKOPLQ-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)ccc1C(=O)[C@@H]1CCC[C@H](C)CC1	2039379029	ZASDVNDXENOZBT-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)c2ccccc2C)CC1	2041382715	IYSFNVOBSXHPMT-VYDXJSESSA-N	246.394	4.635	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C[C@@H]2C=CCCC2)CC1	2041524962	NELOUFUUMYPXAQ-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
C[C@]1(C(=O)[C@@H]2CCC3(CCCC3)C2)CC=CCC1	2042089991	VZXCQUWOELBZPG-ZBFHGGJFSA-N	246.394	4.662	0	10	BJAE	
CCCCCc1ccc2c(c1)C[C@@H](CCC)CN2	2042330034	CNCUEPBWZMABGZ-OAHLLOKOSA-N	245.410	4.804	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)[C@H]2CCCC3(CC3)C2)C1	2045391880	QHJWINVFGLDMQR-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@H](CC2CC3(CCC3)C2)NC)CCC1	2045728114	RGKRZKIJXLVMNR-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C=C(C)C)C[C@H](C)c1ccccc1	2045778670	GJUYNHHIOLWLBM-DOTOQJQBSA-N	245.410	4.515	0	10	BJAE	
CN(C1CC2(CCCC2)C1)[C@H]1CCCC(C)(C)C1	2046329176	VGDPFCDWHHVDPP-AWEZNQCLSA-N	249.442	4.610	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2[C@H]3CCCCC[C@H]32)CC=CCC1	2048465397	IZPKSFRWKRSTBF-HWMZRRJGSA-N	246.394	4.518	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)C[C@@H]2[C@H]3CCC[C@H]32)CC1	2048471294	GSVUQIPKAKFFOQ-ZVDSWSACSA-N	248.410	4.598	0	10	BJAE	
CCC1(C(=O)CC2[C@H]3CCCCC[C@H]23)CCCC1	2048471503	JYTZAXQEYVVYRJ-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)c2ccc(C3CC3)cc2)CC1	2049638540	PZMWYUVDSOINPE-NNUKFRKNSA-N	242.362	4.573	0	10	BJAE	
CN[C@H](CC1CCC=CCC1)CC1(C)CCCC1	2049790030	DQRAUNBACGMBGE-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H]([C@H]1CCC(C)(C)C1)[C@@]1(C)C=CCC1	2049999170	BCDIUKVCZCJSJW-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC1(C)CCCC1)c1ccc(C)cc1	2050428166	DRQVQEHOSDDJLA-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCN[C@H](CC(C)(CC)CC)c1ccccc1C	2050461346	UINOCCSXZYHXKD-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
C[C@H]1CC(C(=O)[C@H]2CCCCC23CC3)C[C@H](C)C1	2053362350	ZLZZSTPTIMVTAC-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@]2(CN)CCCCC23CC3)C1	2053411155	NUQLHMCPUJOEKX-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CC1=C(C)[C@H](N[C@@H](C)C2CCC(C)CC2)CCC1	2055546405	OPBXAEZIFLUJKL-FPLFOGFYSA-N	249.442	4.680	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)[C@H]2CCC[C@@H](C)C2)CCC1	2055552561	QEJSDBZFJNUYFT-VDNDLQMASA-N	249.442	4.680	0	10	BJAE	
CC1(C)CCC(C(=O)C2CC(C3CCC3)C2)CC1	2057490522	HNKGXGDMDVWVOL-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1(CCC2(N)CCC3(CCCCC3)CC2)CC1	2059183490	LBNMEQRUYBTWGD-UHFFFAOYSA-N	249.442	4.789	0	10	BJAE	
CCc1cc(SC)cc(C(F)F)c1Cl	2060055094	LTBBGZSOMHNGRF-UHFFFAOYSA-N	236.714	4.562	0	10	BJAE	
C[C@@H](CC(=O)CC1CC(=C2CCC2)C1)C(C)(C)C	2061700751	YVPHANOTGCPGPS-LBPRGKRZSA-N	248.410	4.908	0	10	BJAE	
c1ccc(C2CCC2)c(CC2CC(=C3CC3)C2)c1	2061718030	GHSCIACMFQEPHA-UHFFFAOYSA-N	238.374	4.997	0	10	BJAE	
CC[C@H](C[C@@H](N)CC1CC(=C2CC2)C1)C(C)(C)C	2061728134	GUQOIRRKZOGBIF-CVEARBPZSA-N	249.442	4.667	0	10	BJAE	
C1CCC(CCN[C@H]2CCCCCC23CC3)CC1	2062016033	CWZHGMNOAKMHQZ-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
C[C@H](CC(=O)C1CC2(C1)CC21CC1)CC(C)(C)C	2064129437	APSSRYLRUYDNJH-SFYCDEOASA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCC12CCC(CC1)CC2	2065259691	UZDFZOAEBSTWJT-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
CC[C@H](NC1CC(CC(C)(C)C)C1)c1ccco1	2067967311	ZJQVHHGSOXYAAG-RUXDESIVSA-N	249.398	4.535	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C2(CC3CCC3)CC2)C1	2069581226	PYIXWPDVKFSSSQ-UKRRQHHQSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](C1CCCC1)n1cc(C2CCCCC2)cn1	2070266815	SPZBFPJYVCRXBT-ZDUSSCGKSA-N	246.398	4.682	0	10	BJAE	
CC(C)=CCC[C@](C)(N)CC1CC(C2CCC2)C1	2070304148	LYWPIAUJPMNQQV-PREGVCBESA-N	249.442	4.667	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H]1CC[C@]2(C(C)C)C[C@H]12	2070412436	CBAUKWSPSDYKAT-YLFCFFPRSA-N	249.442	4.536	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C[C@@]2(C)C[C@H]2C)cc1	2070955949	RUBHPSLUNMCHCY-CXAGYDPISA-N	244.378	4.504	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNC1(C(C)(C)C)CCC1	2071882283	ZTCCLNBPOWOUGG-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CC[C@H](CNC2(C3CCCC3)CCC2)CC1	2072793737	NCIVFVZTCTTZRU-SHTZXODSSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC1CCCCC1)C[C@@]12CCCC[C@@H]1C2	2074028327	GVUSCFPSMSIGCS-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C(=O)C[C@]12CCCC[C@@H]1C2)C1CCCCC1	2074093608	GMWJRBNRLWDWBM-YSVLISHTSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCC[C@H](N2CCCC23CCCCC3)C1	2074888303	JPNQHKGBDTZZTA-HOTGVXAUSA-N	249.442	4.754	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@H]1CCCC12CCC2	2077187786	QBYXWHSMMXQMRC-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1CC(C)=C[C@H](C)C1	2077189764	LHHIOSZPMXBQJO-XKQJLSEDSA-N	249.442	4.703	0	10	BJAE	
CC1(C)CCC(C)(CN[C@H]2CCC3(CC3)C2)CC1	2078336268	CNMVRSDPKWFWAD-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1OC[C@H]1C[C@H]1C1CCCCC1	2079801831	IJEMFVAOPFSJOR-CVEARBPZSA-N	244.378	4.590	0	10	BJAE	
F[C@H](CNc1ccccc1C1CCC1)C1CCC1	2083768230	CDNZPVYCKCBBCV-OAHLLOKOSA-N	247.357	4.504	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H]1CCCNC12CCCCC2	2083815387	FBXNFIFCQUKESQ-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H](N[C@H]2CCCCC23CCC3)C1(C)C	2084369038	UMLJCTLLINOTGW-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCCc1ccccc1Cn1ccc2ccccc21	2088240867	TXYIPEREYSMPMW-UHFFFAOYSA-N	249.357	4.642	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@@H](O)CCCCC2CC2)CC1	2214572337	CKNZYUIVPQJJGS-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@@H]1C)C(CC)(CC)CC	2214966185	ZCUBHMRGGUGXOW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)CC2(C)CCCC2)C1	2215396607	UXIMOESUZCDOFI-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CC1(C)CC2(CCC2)C1)C(C)(C)C	2215402101	SRHDALSKUHVXPN-INIZCTEOSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@H](CC)CNC1CCC1	2217123899	CFTAKJZEKHUEAW-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](CCCCC(C)(F)F)CN[C@@H](C)CC	2217146836	DBTKKIUBNGGRJO-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCC(C)(C)[C@@H](O)c1ccc(CC(C)C)cc1	2218646906	ICLBGRNNIKFESU-INIZCTEOSA-N	248.410	4.745	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@@H]1CCC2(CC2)C1	2220029691	DRURQODMUJRJJG-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@H]1CCCC12CC2	2220045381	JRTBPIIONOHNDK-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1CCCC1)C1(C)CC2(CCC2)C1	2220998409	DANPUVFTJJZUOW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C1(CC(=O)C2(C)CC3(CCC3)C2)CCC1	2221000602	LGTITKPYTATPGM-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@]1(N)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222979154	DQRWWLRXQNDFAT-UUAJXVIYSA-N	249.442	4.501	0	10	BJAE	
C(CCCCCCC1CC1)=C1CCNC2(CC2)C1	2223132417	JTTUJDSRRXKDRS-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CCC)[C@H](C)c1ccccc1	2224169804	JRMOVVOTNWXOHC-UXLLHSPISA-N	247.426	4.595	0	10	BJAE	
Cc1cccc(-c2cc3sccc3s2)c1N	2243439274	QIOJEDDUYGSMLJ-UHFFFAOYSA-N	245.372	4.520	0	10	BJAE	
CCC(C)(CC)[C@@H](O)C[C@@H]1CCCCC12CC2	2246614282	JFPZHCSREUSREE-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C[C@@H](N)CC[C@H]1CCCCC12CC2	2246630081	LMFWASUCGGIBIG-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC[C@H](CCCCC(=O)C(C)(C)C)C1	2246663845	NJHZLIROPWURAY-KBPBESRZSA-N	238.415	4.988	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC(=O)CCC2CCC2)C1	2246676969	ANEYIFDQLIHDEF-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CC(F)(F)c1ccc(CC2=CCCCC2)cc1	2247514262	LZYIQQZGXZSXGY-UHFFFAOYSA-N	236.305	4.841	0	10	BJAE	
CCCCCCN(C)CCCCC[C@@H]1C[C@H]1C	2248839037	BUVZPZNGDAEZSQ-HZPDHXFCSA-N	239.447	4.715	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC(C)C)[C@H](CC)CCC	2250354996	ITGJLYNIBMNZBY-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)C1CC=CC1	2250468266	BQXLCGPANGDTRX-HOCLYGCPSA-N	237.431	4.523	0	10	BJAE	
Cc1csc(C(=O)[C@]23CCCC[C@@H]2CC3)c1C	2251110212	GERAALYBADFIIQ-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
CC(=CCCNC1CC1)CC[C@H]1CCC[C@H](C)C1	2253963491	QEODCVJPVLNIJU-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@H](N)[C@@H]1CC12CCCCC2	2254585179	MLHMRCCHNPJNHT-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)[C@@]12CCCC[C@@H]1CCC2	2254947337	USQZFOYRLXAMRB-CKEIUWERSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@@H]2CCC2(C)C)c2ccccc2N1	2255026472	ITUHCYKOPDVJOW-RDBSUJKOSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC(NCC[C@@H]2CCCC23CC3)CC1	2255226108	UYESADDBJKAEAK-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CN(CC[C@H]1CCCC12CC2)C1(C)CCCCC1	2255232275	IFVNSAMGZDDISG-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCNC[C@@]1(C)CC=CCC1	2257316226	QBEXKRQREOTEEJ-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1cc2cccc(C)c2o1	2259434341	ATTCVXYTZDGGKW-DOMZBBRYSA-N	245.366	4.567	0	10	BJAE	
CC1CC2(C1)CC(C(=O)CCCC[C@H]1C[C@H]1C)C2	2259583386	NEGQKRJTQQLTBE-APMDICNKSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCCC1)C[C@@]12CCCC[C@@H]1CC2	2260655939	DVOGXPGUOUBKMF-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(C[C@@H]2CC23CCC3)C1	2261377232	CVPKKNFUAMRUEP-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CCC)C[C@@]12CCCC[C@@H]1CC2	2298722759	SDUJQHFZYMVAON-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCC[C@](C)(O)C[C@H]1C[C@H]1C(C)(C)C	2300473735	BLEWNVCUHSATSQ-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC(C(C)C)C(C)C	2300476160	RYBKUJURVJUPKS-INIZCTEOSA-N	242.447	4.882	0	10	BJAE	
CCC[C@@H](C)[C@H](N)CC=C(C)CCCC(C)C	2300873878	DWMUJHSQNCKIOY-HZPDHXFCSA-N	239.447	4.913	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1C[C@H]2CCC[C@H]1CC2	2301056892	CSJLNADRZVSBGF-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC[C@](O)(CC2CCCCCC2)CC1	2301138665	YMGRZTUHSTZJCJ-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CCC1(C)C	2301908203	QGNRYPDXEMYSKK-AWEZNQCLSA-N	235.346	4.550	0	10	BJAE	
CCC[C@@](C)(CCCC1=CCCCC1)C(=O)O	2302360803	FUSLJRANYLNXSG-HNNXBMFYSA-N	238.371	4.548	0	10	BJAE	
CC[C@H](C)C[C@@H](C)NCC[C@@H]1CCC(C)(C)C1	2304358324	BCYUNLAKRJICAW-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H](CCC2(CN)CCCCC2)C1	2304434292	CIYQJSUADFQURF-CQSZACIVSA-N	237.431	4.502	0	10	BJAE	
CC[C@@H](C)C[C@H](O)c1cc(C)ccc1C(C)C	2307503218	LMFGABRUBZJNDN-WBMJQRKESA-N	234.383	4.588	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)[C@@H]1CC12CCCCC2	2307893908	PASQYBGODXNRCV-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](O)c1ccc([C@H](C)CC)cc1	2311503443	UFFYHQATUIKBIH-YYQUZTFQSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H](CC1CCCCC1)N[C@@H]1C[C@H]1C1CCC1	2311509160	FCEKHXZBFNYDBA-YESZJQIVSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CC(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2311609609	IYZVOCMCBOGCHY-JWDQPFGJSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CC[C@H](N)CC[C@@H]1CCCCC12CC2	2312664165	ZKYCBRMXOVNVOY-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@H](N)[C@@]23CCC[C@@H]2CC3)CC1	2313290530	DBBNPKKBILNRFK-SWHNLWLKSA-N	249.442	4.501	0	10	BJAE	
CCOc1ccc(N[C@H](C)CCCC(C)C)cc1	2313563913	JONKWZZKMANJCC-CQSZACIVSA-N	249.398	4.712	0	10	BJAE	
N[C@@H](CCC1CCCC1)C(CC1CC1)CC1CC1	2313687616	YZHFUDXZONWTGK-KRWDZBQOSA-N	249.442	4.501	0	10	BJAE	
OC1(CCCC2=CCCCC2)CC(CC2CC2)C1	2318536196	CYBPYTGVEKFIIG-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1CC[C@@](N)(CCCC2=CCCCC2)C1	2318539591	PFDODGDYCSINLM-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC=C[C@@]1(N)CCCC1=CCCCC1	2318568997	OLCZKSXTDQBOTN-QGZVFWFLSA-N	247.426	4.731	0	10	BJAE	
CN[C@H]1C[C@@H](CCCC2=CCCCC2)C[C@@H](C)C1	2318592519	KBJGLXOBZCGSSZ-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)C[C@@H]2CCCC23CC3)C1	2319125065	ZLAHVTJAZXRORV-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](N)c1cc(F)ccc1C1CC1	2319174046	POVIMMKUNFBIET-INIZCTEOSA-N	249.373	4.529	0	10	BJAE	
CC(C)C1(CC(=O)C[C@H]2CC[C@@H]2C2CC2)CCC1	2319582148	DEMXKIRNCKLJOH-GDBMZVCRSA-N	248.410	4.598	0	10	BJAE	
C1CCCCC(NC[C@@H]2CC[C@H]2C2CC2)CCC1	2319602514	IHSOHAYYEDMHOR-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C(=O)CC[C@@H]1CC[C@@H]1C1CC1)C1CCCC1	2319684078	XFCXUUOSYPBQAF-VBNZEHGJSA-N	248.410	4.598	0	10	BJAE	
CCNC[C@]1(C[C@H]2CCC(C)=C(C)C2)CC1(C)C	2320326551	GGXGDSKDEHSGCS-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	2320425749	ZZFMJJARQYGOBR-QKPAOTATSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@H](c1cc(C)ccc1C(C)C)C(C)C	2327680317	DNECVCXXZGWQHU-KRWDZBQOSA-N	247.426	4.815	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](NC)c1ccc(C)cc1	2328291352	HQKCMUTZVHUTKJ-WBVHZDCISA-N	247.426	4.862	0	10	BJAE	
Cc1cc(C)c([C@H](N)CC2CCCCC2)c(C)c1	21787917	LFWVSXSRDWNTBP-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
CCC1CCC(Nc2cc(F)ccc2C)CC1	21815620	ZWCAMUWZHHOABA-UHFFFAOYSA-N	235.346	4.515	0	10	BJAE	
CCCC1(CCC)CC(C)(C)C[C@](C)(N)C1	34398796	WCBGLHDVUJFUDO-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCCc1ccc([C@@H](NC)[C@@H](C)CCC)cc1	35492987	WANKMYHMTQIWKY-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
CC(C)c1ccc(C(=O)C2CC2)c(C(C)C)c1	36941249	PCTPQJHCIRFZRW-UHFFFAOYSA-N	230.351	4.526	0	10	BJAE	
CCCCCC[C@@H](C)O[C@H](C)c1cccc(N)c1	40908486	QLAPWEUYUDXOTA-ZIAGYGMSSA-N	249.398	4.705	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccc(C)c(F)c1	70977647	RGRQXKFGSBOAJR-DOMZBBRYSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@]1(O)CCCC(C)(C)C1	79982331	PMXAAIDNLTXGOI-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CCC[C@H]1CCC[C@@H](Nc2ccccc2)CC1	86921995	OFNBIAUXUAWREX-GOEBONIOSA-N	231.383	4.848	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1sc(C)cc1C	88047965	OOMYIYVIYLXEPZ-QWHCGFSZSA-N	240.412	4.615	0	10	BJAE	
CCC[C@H](NCC)c1cc2cc(C)cc(C)c2o1	88074994	QIVPPNMIRAKUKZ-AWEZNQCLSA-N	245.366	4.500	0	10	BJAE	
Cc1cc(F)cc(N[C@@H](C)c2ccccc2C)c1	91509688	JNFVJYQVAPGGAD-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
C[C@H]1C[C@H](CC2CCCCC2)c2ccccc2N1	92344729	JTWWGPXLICGBTJ-DZGCQCFKSA-N	243.394	4.945	0	10	BJAE	
CCCC[C@@H](CC)C/C=C/CCNCC(C)C	93674227	QAYNSBHOUXSFFE-ROJDOSBLSA-N	239.447	4.785	0	10	BJAE	
CC(C)[C@@H](N[C@@H]1CCCC1(C)C)c1ccccc1	94305027	CDZKYBHKXFBFLM-HZPDHXFCSA-N	245.410	4.552	0	10	BJAE	
C1CCC(CCN[C@H]2CC[C@H]3CCCC[C@@H]3C2)C1	109896658	GKCACUJBXPMNFX-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1cccc(OCC(C)C)c1	109905485	QLQHRFCTSMHXIJ-KGLIPLIRSA-N	249.398	4.568	0	10	BJAE	
CCN[C@@H](c1c(C)cc(C)cc1C)C(C)(C)CC	110209130	GKUHKTVWNBQXJO-INIZCTEOSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H](C)[C@@H](C)NC1CC(C)(C)CC(C)(C)C1	124778492	JGZRBVWGSDXYJR-CHWSQXEVSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](C)[C@H](O)c1ccccc1	128937408	KTQOCOCDZGTEKQ-SRABZTEZSA-N	246.394	4.573	0	10	BJAE	
CCCCCNCC1CCC(C(C)(C)C)CC1	129776937	ALKANAIJBRUGAM-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)[C@H](NC)c1ccccc1C1CCC1	132573774	BXUPEIZXDABBEZ-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCCC[C@@H](CC)COc1ccc(F)c(C)c1	135406005	GWBAXERYKSQQIP-CYBMUJFWSA-N	238.346	4.729	0	10	BJAE	
CCc1ccc(C(C)(C)C)c(C(F)(F)F)c1	150210378	SYIDGODUEXYSQW-UHFFFAOYSA-N	230.273	4.565	0	10	BJAE	
CCCC(O)(CCC)[C@@H]1CCCC[C@@H]1CC	163746244	DBSPFIBNVDWAAO-UONOGXRCSA-N	226.404	4.534	0	10	BJAE	
CCCC1CCC(O)(C2CCCCCC2)CC1	167599044	CSYTVIICHPTYKL-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)c1cc(C)ccc1C	225399952	AYADCEQLPYIFSV-HLLBOEOZSA-N	246.394	4.553	0	10	BJAE	
CCCC[C@H](CCC)N[C@H]1CCC[C@@H](C)CC1	225984032	YDDCGEOABLEFEE-PMPSAXMXSA-N	239.447	4.904	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@@H](O)c2ccc(C)cc2C)C1	226983774	UIXICQGBCYGSKQ-ZMSDIMECSA-N	246.394	4.553	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@H](N)c1cc(C)ccc1C	229331942	OHMCZAPWKCICCS-ZMSDIMECSA-N	245.410	4.520	0	10	BJAE	
C1=C[C@H](Nc2ccc(-c3ccccc3)cc2)CCC1	232578463	NDRHFKSMWNNHIZ-KRWDZBQOSA-N	249.357	4.874	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C)c1ccccc1	233922853	IWFRUKHYJPDESP-LZWOXQAQSA-N	244.378	4.576	0	10	BJAE	
CC1=C[C@H](C)C[C@H](CNc2cccc(Cl)c2)C1	235404087	JQXCUTHUMPCSPV-AAEUAGOBSA-N	249.785	4.744	0	10	BJAE	
C/C(=C\CCNC(C)(C)C)C[C@H]1C[C@H]2CC[C@H]1C2	250514229	FBPRRWUUUCIXBP-GKPJHNPKSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)c1ccc(C)s1	300141197	RCTLWQMRCXHBPG-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CCC[C@@H](CCCCC1CCCC1)NCC	300730462	FLXAWAKQPSXWTL-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
Cc1cccc(Cl)c1NC[C@@H](C)CC(C)C	300847758	DWTCGXICJJEQLU-NSHDSACASA-N	239.790	4.743	0	10	BJAE	
C[C@@H](CCC1CCCC1)[C@H](C)CNC(C)(C)C	302238343	BRQFDGQMNGGOFM-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC1CCCCC1)[C@H](C)C(C)C	302238461	BYVXVVJBDXNBTO-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](O)CCCC(C)(C)C	302264953	FZWAAPUHFPZTEZ-HZPDHXFCSA-N	248.410	4.758	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@H](C)CC(C)C	302294481	GRSJONDPTNBKRI-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CCCC(=O)c1ccccc1	304195413	WZSHWJYOLSENQZ-CQSZACIVSA-N	232.367	4.722	0	10	BJAE	
Cc1cc2sccc2c(Cl)c1C(F)F	307490092	FUSVUKZSCSZOCO-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C)CCC(C)(C)C	310280653	XBVUOTNZFSUUNR-ZNMIVQPWSA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CNC1CC1)CC1(C)CCC1	317717426	GOHDOTIYAKJDNZ-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C(C)(C)C2CCC2)C1	322901286	CSQVAZCNHLFQMS-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@H](CC/C=C/c1ccccc1)NC	324249830	HZFGAIPHLVKTSY-BHEMDECJSA-N	245.410	4.504	0	10	BJAE	
CCC[C@@H]1CC[C@@H](O)[C@H](CC2(C)CCCC2)C1	380134409	FBQMDXHJFOTKFY-QLFBSQMISA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)C(=O)C[C@H]1CCC[C@@H](C)C1	381412035	TUWGIJBXNRGZMH-RDBSUJKOSA-N	224.388	4.598	0	10	BJAE	
C1CCCC(CNCCC2CCCC2)CCC1	382680414	MRZLRRDMISCTKE-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@@H](N[C@H]1CCC1(C)C)c1ccccc1	393969505	YGRAHMUIGFRLCQ-CVEARBPZSA-N	245.410	4.696	0	10	BJAE	
CC[C@@H](C)c1csc(-c2sccc2C)n1	395526471	KZNKTWDROXGPJH-MRVPVSSYSA-N	237.393	4.694	0	10	BJAE	
CCc1sc2cccc(C(F)(F)F)c2c1C	396301658	JVJDILKEHGRHOS-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CCC[C@](O)(C[C@@H](C)CC(C)C)[C@@H]1CC1(C)C	397625624	MQNYXYVZZAMYIN-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNCCCC(C)(C)C	401608572	HOOSZKWCKFIMEO-CABCVRRESA-N	239.447	4.619	0	10	BJAE	
CCNC[C@]1(C[C@H]2CC=CCC2)CCCC[C@H]1C	402266223	SWLMBLATSFMWCH-IXDOHACOSA-N	249.442	4.539	0	10	BJAE	
CCCCC[C@H](C[C@H]1CC=CCC1)NCCC	402313348	JPCQGTXZQUIETR-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@H]2CC=CCC2)cc1	402411897	SMPILHASTOQHDT-WMLDXEAASA-N	244.378	4.590	0	10	BJAE	
CCN[C@@H](CCCC1CC1)c1cccc(C)c1C	405874949	TYUOGDHYDQSJIR-KRWDZBQOSA-N	245.410	4.534	0	10	BJAE	
CCC1CCC([C@@H](O)CCCC2CCC2)CC1	688351636	CXYUAXKYDQLUEC-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCC1CCC1)C1(C)CCCCC1	688418706	UJPBTNICOJSMGX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC(C)NCC1(CCCC2CCC2)CCCC1	688840457	VYSOCEXBOYZNKI-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC(=O)[C@H](C)c1ccc(C(C)(C)C)cc1	695074624	QQCVSJMSNHUUCW-CYBMUJFWSA-N	246.394	4.703	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H](C)c1csc(C)c1	695150950	YGIWEYCHQNDQEM-RYUDHWBXSA-N	239.428	4.532	0	10	BJAE	
CCCCCc1ccc(NC[C@@H]2CC2(C)C)cc1	700636124	ZUUQJYOEMDXQTM-HNNXBMFYSA-N	245.410	4.877	0	10	BJAE	
CCN[C@H](C1CCC(C)(C)CC1)C(C)(C)CC	701099185	JFDRHVZFSXUABW-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](N)c1ccc(C(F)F)cc1	701188650	ZXBOMZIHUDRKSP-CYBMUJFWSA-N	241.325	4.594	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)CC1CCCCC1	704471609	JBWUBCWZZUUWNQ-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@@H](C)CC(C)(C)C	704733041	FJYFGBZPDBLRLX-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@](N)(CC1(C)CCCC1)C1CCCC1	704956754	KWVJXTWWNHLSPH-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
C/C(=C/[C@H](C)CC(C)(C)C)C[C@@H]1CCCCN1	709091240	XZAMQQFHORKKGI-GTISMEIMSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C[C@H]1CCCCC(=O)C1)CC(C)(C)C	709215328	XMRNHHHOYUZLEX-CHWSQXEVSA-N	224.388	4.598	0	10	BJAE	
C[C@H](Nc1cccc(-c2ccccc2)c1)C1CC1	709728875	QCWQXWLBNBFACX-ZDUSSCGKSA-N	237.346	4.564	0	10	BJAE	
CCC(C)(C)[C@H](C)NC(CC(C)C)CC(C)C	710106257	DCTDLJVRBVQDMC-AWEZNQCLSA-N	241.463	4.862	0	10	BJAE	
CCN[C@@H](C[C@@H](CC)C(C)(C)C)C(C)(C)CC	711185635	SZACUGLIDNGPAP-KGLIPLIRSA-N	241.463	4.863	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2C[C@@H]3CCCC[C@@H]32)CC1	712368807	FCJWZIZGDKFKDG-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H](CC(C)(C)C(C)C)[C@@H](C)CC(C)(C)C	713131871	MACSSGYQUMRBRQ-KBPBESRZSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(C)(C)Cc1ccc2c(c1)CC[C@H](C)N2	713142106	VQKPQTLSKHMQJO-ZDUSSCGKSA-N	245.410	4.658	0	10	BJAE	
CCCC[C@](CC)(CNCC)CC(C)(C)C	713269981	AAEVMSMUHZWQRW-HNNXBMFYSA-N	227.436	4.619	0	10	BJAE	
C=C/C=C/CCc1ccc(C)c2ccccc12	713673455	MHVPFAPEAZRVFE-SNAWJCMRSA-N	222.331	4.823	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCCCCC1CC1	716378749	KEPKGTYQZNSQEQ-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)CC(C)(C)C	718575495	ZPSCNBLMADQMBZ-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CCCCC(=O)c1ccccc1	718690153	CZDJFWAJMCPJDT-UHFFFAOYSA-N	230.351	4.786	0	10	BJAE	
CCc1cccc2ccn(CC3CC(C)(C)C3)c12	723548212	OMNOKANEKPIEPH-UHFFFAOYSA-N	241.378	4.640	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCCC2(CC2)C1	723568134	VXOMKKKKXVJNJA-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
Cc1cccc(Cl)c1CC1CCCCC1	822256264	IEIKQIXEZWPMOP-UHFFFAOYSA-N	222.759	4.771	0	10	BJAE	
C[C@@H]1CCCC[C@H]1CN1CCCC12CCCCC2	1168233195	FHNBFBYZGPZIJF-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC1(c2cccc(C(F)(F)F)c2)CCCCC1	1614659962	DTBRUCDPHCZUAM-UHFFFAOYSA-N	242.284	4.927	0	10	BJAE	
CCC[C@H](C)CCN[C@@H]1CCC[C@H](CC)CC1	1651486606	HOHXEBWWIXDXHD-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@@H](C)SC1CCC(C)(C)CC1	1656461009	ARWBNUFXYWABNP-LLVKDONJSA-N	214.418	4.733	0	10	BJAE	
CC(C)C[C@@H](C)S[C@@H]1CCc2ccccc2C1	1656716807	AYDVQQNCCLZCOA-CZUORRHYSA-N	248.435	4.712	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)CCCCCC(C)C	1897517546	FURKPWJUEVFWGI-ZIAGYGMSSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CCC(C)C)NCC	1905435630	SLHKQTFPNKXKAX-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CCCC[C@@H]1C[C@@H]1C)NCCC	1908577924	NPWWVMUCZWOBSA-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CCC[C@H](N)C1CC2(CCCC2)C1	1912638391	PHGGZSCMLTXHGE-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@](O)(CC(C)C)c1ccccc1	1920029028	NLLFZOIKOUQMBG-KRWDZBQOSA-N	248.410	4.747	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@@H]2CCCC23CCC3)C1	1921492867	XKIOMMVKPYUZFH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@H]1CCCC12CCC2	1921636972	RWIXLIWEPNSNKJ-OAHLLOKOSA-N	246.394	4.662	0	10	BJAE	
O=C(CCC[C@H]1C=CCCCC1)c1ccccc1	1925738619	WJFVGJYETQXFAY-HNNXBMFYSA-N	242.362	4.786	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C[C@@H]1C=CCC1	1926184812	JURWDGYOPMOGPC-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1ccsc1Cl	1928717942	JENLIJLJCOIKQE-GXSJLCMTSA-N	246.803	4.507	0	10	BJAE	
Cc1cc(N[C@H]2CCCCC23CCC3)cs1	1938717824	AQWXQAXYVDQOQM-ZDUSSCGKSA-N	235.396	4.581	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)C1CCC(CC)CC1	1941266019	YZSZPYGRXGSGCT-CKUJCDMFSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C(=O)C[C@@H](C)C1CCC1)C(C)C	1941273632	UDFGVNDDWMKDJC-UKRRQHHQSA-N	238.415	4.700	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(O)CCC1CCC1	1941470119	LSJCUBPMWFFWET-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCCCCC1CC1)C1(C)CCCC1	1941583967	KOBKXCSKHLGRDT-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC(C)C)CC1CCC=CCC1	1941819073	RLQNTYMBCWTVGE-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CN[C@H](CCCCCC(C)C)C1(C)CC(C)C1	1941983397	GYFBACWUHNQWBQ-HWOWSKLDSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)[C@H](C)C1CCCCC1	1942665091	VQWZWIIWFPYFPJ-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](O)C(C)(C)C1CCCCC1	1944611815	YMRBDGMNUORJFV-YDHLFZDLSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@H]1C)[C@@H](C)CCC	1944818034	CKIDPAIDANNHTE-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](O)C1CCCCCCC1	1944871381	YUTXLLKTXJMRDU-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](O)CCCCCC2CC2)C1	1945582073	KEANDITYIOWTAB-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CC[C@]1(N)CC[C@H]2CCCC[C@@H]21	1946367636	RKSSRTBGXAPCTF-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCCCC1(CNCCC)CC(C)(CC)C1	1948414584	XVSKUUWZESHDMN-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)C(=O)CC[C@H]1CCC2(CCCC2)C1	1949506647	OOGIATKKWXRCCA-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)CCC[C@H](O)CC1CC2(CCC2)C1	1949735239	XVHPWWJBOSCISQ-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](CCCC[C@H]1CC1(C)C)C(C)C	1949826949	XVHNLCQUKAPRFC-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H](CC)C1)C(C)C	1949835164	RVJKEQPEKNOSLH-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
F[C@@H]1CCCC[C@@H]1C[C@H]1C=CCCCC1	1962586921	XHVHRIAXZPGIMO-BFHYXJOUSA-N	210.336	4.651	0	10	BJAE	
Cc1ccc([C@@H]2CCCN2CCCC(C)(C)C)o1	1964148692	OUOZDAPDVBTLHE-AWEZNQCLSA-N	249.398	4.551	0	10	BJAE	
C[C@H](Nc1ccc(C(C)(C)C)cc1)C1(C)CCC1	1968275574	MNXZQUDYBVEQPF-ZDUSSCGKSA-N	245.410	4.975	0	10	BJAE	
c1ccc(-c2ccc(NC3C[C@H]4C[C@@H]4C3)cc2)cc1	1968278072	FKVWFTKDZWJEST-HZPDHXFCSA-N	249.357	4.564	0	10	BJAE	
CCc1cc(N[C@@H]2CCC3(CCC3)C2)ccc1F	1971993456	ZKDPGDBNKCCQLI-CQSZACIVSA-N	247.357	4.523	0	10	BJAE	
CCCC(CCC)CNCC(C)(CC)CC	1981288628	SRJCSLKYMWLMJW-UHFFFAOYSA-N	227.436	4.619	0	10	BJAE	
CCC[C@@]1(CC(CC)(CC)CC)CCCN1	1984250716	MDLMYWZNFCBKMS-HNNXBMFYSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@H]1CCC(C)(C)CC[C@@H]1O	1984465981	IGDLJCRYXIOLSZ-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](C)NC1CC(CCCC)C1	1984696089	UMXQUTMYGUGERU-NFOMZHRRSA-N	225.420	4.514	0	10	BJAE	
CCCC(O)(CCC)CC(C(C)C)C(C)C	1988234895	VOYMCOCBOZOJHB-UHFFFAOYSA-N	228.420	4.636	0	10	BJAE	
CCCC1(C[C@@H](N)CCCC(C)C)CCC1	1988462298	SREWUQMZFYTUMY-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1CC[C@H](C)CC1	1989811801	IVMVXNFJOUFBMS-HDJSIYSDSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)C(=O)CC1CCC(CC)CC1	1989836574	HPCHVCXCKIZGGW-HSBZDZAISA-N	224.388	4.598	0	10	BJAE	
CCC1CCC(CC(=O)C(C)(C)CC)CC1	1989837243	QIEMQVNIWCLOSQ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCC[C@](N)(CCC(C)=C(C)C)C(C)(C)C	1991185026	BWJVGTVRIPWMOZ-HNNXBMFYSA-N	225.420	4.667	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1cscc1F	1995203349	KJFVQVZMMWHQOH-JTQLQIEISA-N	242.359	4.676	0	10	BJAE	
CC1(c2nc(C3CCCCCC3)cs2)CC1	1995497983	ILDDZZOVXDRCFU-UHFFFAOYSA-N	235.396	4.632	0	10	BJAE	
CCCC[C@H](NCC)[C@H]1CCC[C@H](CC)CC1	1997106208	SDTGBDBXPORFOK-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCC(C)=C(C)C)CC1	1997190686	HWRBIACILDHTLT-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2000048767	SKZSVKGLBOYQBT-LZWOXQAQSA-N	239.447	4.602	0	10	BJAE	
CCCCC[C@H](NCC)[C@@H]1CCCC(C)(C)C1	2000062379	LXGMJWMMPJTIDV-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@H](NC)C1(C(C)C)CCC1	2000325055	YXWWSJWFSVFSJA-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)C[C@H](C)C1CC1	2000516005	UPJOBGQHVVFPTB-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(N(C)CCC(C)=C(C)C)CC1	2000908438	YFQXUYIVLCNKHD-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
Cc1csc(C(=O)C[C@H]2CC23CCCCC3)c1	2001260016	RXXZWRWWWLLJOJ-LBPRGKRZSA-N	248.391	4.600	0	10	BJAE	
CCCCN(CCCC)CC1(F)CCCCC1	2001388625	WVMPNSIFNHATQH-UHFFFAOYSA-N	243.410	4.561	0	10	BJAE	
CCC[C@](O)(CC)C[C@]1(C)CCCCC1(F)F	2002585376	AMYUMCKMQNMBCP-QWHCGFSZSA-N	248.357	4.533	0	10	BJAE	
CCC1CCC([C@H](C)N[C@@H](CC)C(C)C)CC1	2002928761	ZQHZDRFXZJGZKR-LBDPXKHJSA-N	239.447	4.616	0	10	BJAE	
CC(C)CC[C@H](C)[C@H]1CCCCCCCC1=O	2003073729	IRPSAJXYLZVQIQ-LSDHHAIUSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)[C@@H](O)CC1CCC2(CC1)CC2	2003189636	DJFBZPBPORVSHW-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)CCC[C@H](O)c1ccccc1C	2003626645	JWXHCSGAFTVIMK-INIZCTEOSA-N	232.367	4.555	0	10	BJAE	
CC[C@@H]1CC=C[C@@](O)(C[C@H](C)CC(C)(C)C)C1	2006657237	HMADRVUBGHRUEA-IIAWOOMASA-N	238.415	4.556	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C1(O)CCCCCCCCC1	2006765494	LRSFKZIFWITESZ-CABCVRRESA-N	238.415	4.678	0	10	BJAE	
Cc1cscc1C(=O)C1(C)CCC2(CC2)CC1	2007682208	WMYHGHKNIKJXKR-UHFFFAOYSA-N	248.391	4.600	0	10	BJAE	
CN[C@H](C=C1CCCCC1)c1sc(C)cc1C	2007951950	QIFUNLZJZOHZSI-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CCCC2CCC2)CC1	2009404226	LOMBKFGXRUWPHM-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@H]1CCC(C)(C)CC[C@@H]1NC	2009408427	UEYJCDLKTLQGOZ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@H]1C1CCCCCC1	2009768328	CATWWIHPYYLYMK-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)C1=CC[C@H](C)CC1	2010626479	XZSHCQPLEVOHRV-DZGCQCFKSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@H](C)N[C@H](C)C1CC2(CC2)C1	2012412490	OQRJYOUFSZAKEO-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)[C@@](CC)(CNC(C)(C)C)C(C)C	2012440348	PUGLSJOTWYXPIN-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)N[C@@H](C)C1(C)CCCC1	2014336133	BFYJFXHGGTZYKF-ZNMIVQPWSA-N	239.447	4.616	0	10	BJAE	
CC1=C(C)[C@@](O)(CC(C(C)C)C(C)C)CCC1	2015282622	WZBZBZPLIZLRBU-INIZCTEOSA-N	238.415	4.556	0	10	BJAE	
CCCC1([C@@H](N)CC(C(C)C)C(C)C)CCC1	2015402270	WCPNGXMAAGIZNY-HNNXBMFYSA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@H]2CC[C@H](C)CCC2=O)CCC1	2015595310	LRMFYFBHWYJDIV-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCCCC[C@@H](NC)C1(CC2CC2)CCC1	2015752097	DAXVYJYLGRJXCV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](NC1CCCCCCCC1)C(F)F	2015817927	UYZOOFAZLHJDQU-CYBMUJFWSA-N	247.373	4.513	0	10	BJAE	
CCCC1(C[C@](C)(N)CCC=C(C)C)CCC1	2016118821	DAFQTMUQQGTRHX-OAHLLOKOSA-N	237.431	4.811	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)CC1CC(C(C)C)C1	2016146443	WTEUZJSJCVRPJY-UYSNPLJNSA-N	238.415	4.556	0	10	BJAE	
CCC1(CC)CCC(O)(C[C@@]2(C)C[C@@H]2C)CC1	2016309732	BXPPMRSSSIBLAA-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@](C)(CNC(C)C)C[C@]1(C)C[C@H]1C	2016465283	FDKOWAZFBLCYLP-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C[C@@H]1CC)C[C@H](C)CCC	2016851274	GKZAZGKUIMPNDV-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@](C)(N)C(C)(C)CC)CC1	2017796524	GJCNVJFOOYJFRM-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@]1(C)CCC(C)(C)C1	2017912642	LXNTXOMDFUXIRU-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1C[C@H]2CC[C@H](C2)C1	2018080823	SPJLOFWLATYVPG-FZKCQIBNSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1C[C@H]2CC[C@H]1C2	2018130802	PPVURHUPEXQAFY-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1[C@H]2CCCC[C@H]21	2018132130	RKZOIJWUWJAUFS-FXUDXRNXSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC[C@H](N)CC1CCCCC1)C1CCC1	2019853251	RNRPPKYRXKDYHF-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCN(C1CCCCCC1)[C@H](C)[C@H](C)CC	2020502532	UQHNRNQSJIVVPS-HUUCEWRRSA-N	239.447	4.856	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCC3(CC3)C2)cc1	2021787483	IFBNFYSUQPIMKM-OAHLLOKOSA-N	229.367	4.555	0	10	BJAE	
CCCCC[C@H](C[C@H]1C[C@H]1C(C)C)NCCC	2022491153	ZBZVFSSVQZEMIB-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
FC(CNc1cccc2ccsc12)=C1CCC1	2023248242	YXUMPIFUSJWNFC-UHFFFAOYSA-N	247.338	4.721	0	10	BJAE	
CCC[C@](N)(C[C@H]1CCCC(C)(C)C1)C1CC1	2024093761	DTNKFYBMXSQTQV-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(=O)[C@H](CCC[C@H]2CC2(C)C)C1	2024126936	ZFVFXESLICUWAW-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
C1=C[C@H](Cc2ccc(-c3ccccc3)s2)CC1	2025600893	QLBBRACXUKODKF-ZDUSSCGKSA-N	240.371	4.924	0	10	BJAE	
c1sc([C@H]2CCC23CCC3)nc1C1CCCC1	2026599287	VQAGTEPULOVRON-GFCCVEGCSA-N	247.407	4.848	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1ccccc1C1CCC1	2028228541	YMMCXTIPUGLTDZ-YOEHRIQHSA-N	246.394	4.670	0	10	BJAE	
C(CCN[C@H]1CCCC[C@@H]1C1CC1)CCC1CC1	2028630092	YGSAGDQWGGHHGB-SJORKVTESA-N	249.442	4.515	0	10	BJAE	
CCCC1(CN[C@@]23CCCC[C@@H]2CCC3)CCC1	2031805566	RNEPXFAJRYJIAO-NVXWUHKLSA-N	249.442	4.659	0	10	BJAE	
Cc1cc(F)ccc1C(=O)C(C)(C)C1CCCC1	2032296332	MYYKVCKFWJGUTF-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
Cc1cccc2c3c([nH]c12)C[C@@H]1CCCCC[C@H]31	2035865445	UCQHCOHJIHNQTR-STQMWFEESA-N	239.362	4.696	0	10	BJAE	
CCCC[C@@H](CCCCc1ccccc1)NCC	2036490469	CCMOKFGBABKKCE-KRWDZBQOSA-N	247.426	4.568	0	10	BJAE	
CC1CCC(N[C@@H]2C[C@H]3CCCC[C@]3(C)C2)CC1	2036664574	LDANCKQLINLHMA-GLUHHBOGSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)C[C@@H]2CCCC[C@@]2(C)C1	2037171693	AQBNEHIAUVFPND-ULQDDVLXSA-N	249.442	4.811	0	10	BJAE	
N[C@@H](CC[C@H]1C=CCCCC1)CC1CCCCC1	2038168903	WNZMIWZQYJJJQP-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
O=C(CC[C@@H]1CC[C@H]2C[C@H]2C1)CC1CCCCC1	2038176668	WOYBXXPCNDXWDD-HRCADAONSA-N	248.410	4.742	0	10	BJAE	
CC1CCC2(CC1)CC(NCCCC1CCC1)C2	2038934046	QWKYEWKEVPVGCE-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@H]2C=CCCCC2)C1	2039032405	NAIZKLMYXQCAMO-ULQDDVLXSA-N	249.442	4.680	0	10	BJAE	
Cc1cccc(C(=O)[C@H]2CCCC(C)(C)CC2)c1	2039386839	SUSZXPBGKISABB-AWEZNQCLSA-N	244.378	4.784	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)[C@@H]1C(C)=CCC[C@H]1C	2039433395	BMEWHPVTJBQBRK-UUAJXVIYSA-N	249.442	4.523	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)CCC[C@H]1CC1(C)C	2039439876	BGJQXRNTLNPQND-YHUYYLMFSA-N	249.442	4.523	0	10	BJAE	
CC[C@H](N[C@@H]1CC=CCC1)C1CCC(C)(C)CC1	2040684645	UUBJAIVONVLFQK-CVEARBPZSA-N	249.442	4.680	0	10	BJAE	
CC(C)NC[C@H]1C[C@@]12CCCC1(CCCCC1)C2	2040764492	CYKPLUJDEMDKLF-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]([C@@H]1C=CCCC1)[C@H]1CCCC[C@@H]1C	2043187410	LIHKVOXSNKGIFD-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
O=C(C[C@@H]1CCC=CCCC1)[C@@H]1CCC[C@@H]2C[C@@H]21	2045306453	ZANDEOCMPXESJB-FPCVCCKLSA-N	246.394	4.518	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1NC[C@H]1CCC=CCCC1	2045317779	OSSBPLPWIOIAQU-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@@H]1CC12CCCCC2	2047011518	XVUKRAXWIFSMLS-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CC1=CCCCC1)C[C@@H]1CC12CCCCC2	2047012338	NQMWTHJIHJBOAC-HZPDHXFCSA-N	247.426	4.565	0	10	BJAE	
C1=CC[C@H](N[C@@H]2CCCCC23CCCCC3)CC1	2047587783	VAMRQRADCJBSNJ-JKSUJKDBSA-N	247.426	4.578	0	10	BJAE	
CCC1CCC([C@H](C)NCCC2=CCCC2)CC1	2049416620	ADFJWCXRXSHRBP-UQPPLGOBSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H]1C[C@@H]1CCCC2(CC2)C1	2049852480	BXVYXLGSFRLGQJ-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(C[C@H](N)CC2CCC3(CC2)CC3)C1	2049854010	GOYNQAWSMOMRFT-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]([C@H]1CCC(C)(C)C1)[C@@]1(C)C=CCCC1	2050009309	MHMDZZUHYGLFGK-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C1CCC(C)CC1)[C@@]1(C)C=CCCC1	2050009445	YEVKWPNLEUNMDI-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
C[C@H](NCC1(C)CCCCCCC1)c1ccco1	2052504410	HJRYJYYPBSZSSL-AWEZNQCLSA-N	249.398	4.681	0	10	BJAE	
CN[C@H](CCCC1CC1)[C@@H]1CCCCC12CCC2	2053414061	WTJBMMJGMYMARP-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@@H]1CCCCC12CCC2	2053414915	DHITXKXENMYHHG-HOTGVXAUSA-N	249.442	4.811	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C1(C)CCC2(CC2)CC1	2056551031	AZMCBZFZZHRITA-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
CC1(CC[C@H](N)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1	2059180558	LKQBWAMOLZNHHQ-JONQDZQNSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](NCC)c1ccc(CC)cc1	2059249172	FJNLWETWLWHNNE-PFWMLDTASA-N	245.410	4.646	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1CC(=C2CC2)C1	2061649792	APUKRKNJDYFHBA-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)CC1CC(=C2CCC2)C1	2061733364	DJJLNGMKAPBXRN-LRDDRELGSA-N	249.442	4.667	0	10	BJAE	
CN[C@H](C1CC(=C2CCC2)C1)[C@H](C)CCC(C)C	2061737953	XEKMNZCAOWTJFL-DYVFJYSZSA-N	249.442	4.537	0	10	BJAE	
N[C@@]1(CCC2CCCCC2)CCCCCC12CC2	2062021170	SWXVVOBDPVLNQV-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)[C@@]1(C)C=CCCC1	2062641942	MKXRPBUNNYOHFY-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
C[C@](N)(C[C@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1	2063487543	QDNHIHCVWJHCNN-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
C[C@H](N[C@@H]1C[C@@H]2CCCC[C@@H]2C1)C1(C)CCCC1	2067518657	YTBZUYRYFWNPDR-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
CCCC1(C[C@@H](N)[C@H]2CC23CCCCC3)CCC1	2069282503	KXRKLGJWWDTUES-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCC1(CN(C)[C@H]2CCCCCC23CC3)CCC1	2069321071	JFNCFJWDUDOISJ-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@]23CCC[C@H]2C3)CC1	2070966067	FQZWJKLCADDGKT-LTIDMASMSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CCC[C@@H]3CC[C@@H]32)CCC1	2071940129	HSPDXPOTYNKCRA-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(F)c1NCC1(C(C)(C)C)CCC1	2071954723	XTRMNZMWRLJDMZ-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CC(C)(C)[C@@H]1CCCN1C[C@@H]1CCC=CCCC1	2071962892	PIGOALBQPJEOOQ-CVEARBPZSA-N	249.442	4.633	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@H]2CC23CCC3)CC1	2072798716	MAACDQXNINFHOR-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CCNCC1(CC2CCC(CC)CC2)CC=CC1	2072803274	GRNFUHAXQQBYBC-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCC1(C)CC(N(C)[C@@H]2CCC23CCCCC3)C1	2075013727	WYFSSSNUCYICTO-HWOWSKLDSA-N	249.442	4.610	0	10	BJAE	
CCC[C@@](O)(C[C@@H](C)C1CCC1)c1ccccc1	2075729316	OKQBKSCRKOAZAL-RHSMWYFYSA-N	246.394	4.501	0	10	BJAE	
CC[C@H]1C[C@H]1C=C(CNC(C)C)C1CCCCC1	2079265492	QVMIGNYAKZGFEA-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
NC1CCC(C[C@H]2C[C@H]2C2CCCCCC2)CC1	2079705816	JPHMBMQJCAIOSO-PZJKJEQHSA-N	249.442	4.501	0	10	BJAE	
O=C(CCC1CCC1)C[C@H]1C[C@@H]1C1CCCCC1	2079862713	JDSMKICDZVFFAA-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C=C1CCC1)[C@H]1CCCC(C)(C)C1	2080217256	GKZDVFIHRUXRAI-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](Nc1ccc(F)cc1CC)C1CCC1	2081945620	XSVARSOMCLGJJW-OAHLLOKOSA-N	249.373	4.769	0	10	BJAE	
Cc1cc(C)c(C)c(CN[C@H](C)CC(C)(C)C)c1	2082903029	HIYLWLGBCBAMFH-CQSZACIVSA-N	247.426	4.526	0	10	BJAE	
Cc1cc(C)c(C)c(CC(=O)CCC(C)(C)C)c1	2082949845	BWDCHJZQWUCLGR-UHFFFAOYSA-N	246.394	4.550	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)C2CC3(CCC3)C2)C1	2082977119	WRKKJQROZBWPKN-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1ccc(NC[C@@H](F)C2CCC2)cc1	2083781114	SLFSVPLZMRHIFA-OAHLLOKOSA-N	249.373	4.534	0	10	BJAE	
CC(C)[C@H]1CC[C@H](NC2CC3(CCCCC3)C2)C1	2085244273	IGLHKCTYUCOMAC-GJZGRUSLSA-N	249.442	4.514	0	10	BJAE	
CC1(CCN[C@H]2C[C@H]3CCC[C@H]2C3)CCCCC1	2086159930	YYOHQJXOOONMSK-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCCCCCc1ccc(C(=O)C(C)C)s1	2210510038	JKTVJENUZLJMKG-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CCCCCCC1CC1	2213577436	BOOQGIHAKQNYGK-HZPDHXFCSA-N	240.431	4.780	0	10	BJAE	
CC1(C)CCCCN1CCCCCCC1CC1	2213584081	ZBTRPSCSVVBTDW-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CN[C@H](C1=CCCCCC1)c1scc(C)c1C	2213656593	TWKUCZRVJIAERB-CQSZACIVSA-N	249.423	4.516	0	10	BJAE	
CCCCC[C@H](C)NC1CCC(C2CC2)CC1	2213699978	GTGXLHJSEUXQMA-JEYLPNPQSA-N	237.431	4.514	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@]1(N)CCCCC1CC1	2214563472	BSUNZUBZOIVTEB-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CCCCC1CC1)CNC1CC1	2214568992	LQVIYJMMYDQJGH-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC[C@]1(CC[C@H]2C[C@@H]2CC)CCCCCN1	2215259560	ZBKDRRNYNCJQHG-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCCCC2CC2)CC1	2215806250	CCJKOQDDLNVDHL-MRXNPFEDSA-N	234.383	4.662	0	10	BJAE	
CC[C@H](O)CCC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2216765050	KKBGMMGRZIVDAO-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](C)NC[C@@H](C)C[C@H](C)C1CCCCC1	2217144370	FHRWMAISJCNWMD-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(=O)[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218334486	RSMMGYJTCJRUDG-CBBWQLFWSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)C(=O)C1	2218336643	XGKYRVGHQUQYOO-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(CC(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	2218337275	UPYLCHIOMNWXBO-NHAGDIPZSA-N	248.410	4.598	0	10	BJAE	
C[C@@](N)(CC1CCC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218360555	DDUZCOLMGRKFSY-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(-c2ccc(CC(C)C)cc2)ccc1O	2218641300	RKCZCSAJAYPFGU-UHFFFAOYSA-N	240.346	4.566	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1c(C)cccc1OC	2220294827	QKYQPRLSVCAVGK-OCCSQVGLSA-N	249.398	4.630	0	10	BJAE	
CC(C)Cc1ccccc1C(=O)C[C@H]1CC[C@H]1C	2220633891	OAFMSLRNWAZRLA-ZIAGYGMSSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@H]1CCNC2(CCCCC2)C1	2220915473	CDJVEGMQALWNCU-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1=O	2222973867	YNUMMZKFYPWDGW-RBGFHDKUSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](NCCCCCCCC1CC1)C1CC=CC1	2223173532	SBHWGHOVWAONCW-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)[C@]1(CNC2CCC2)CC=C(C)CC1	2223584798	XONXEUBJLDRWQW-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@H](C)C(C)(C)C)C1	2246665693	LFYACRMUXXEJOU-BARDWOONSA-N	239.447	4.602	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@H]1CCC1(C)C)NC	2247303418	MAZOGTMGJPAIRD-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1csc(CCC2=CCCCC2)n1	2247510950	TXFRDGRVNDNSMW-UHFFFAOYSA-N	249.423	4.874	0	10	BJAE	
CC[C@H](C(=O)CCCCC[C@H]1C[C@@H]1C)C(C)C	2248807242	NNZCRVHNKPONIS-KKUMJFAQSA-N	238.415	4.844	0	10	BJAE	
CCCC(C)(C)[C@H](O)CCCCC[C@H]1C[C@H]1C	2248814114	LCJILALMVILUQD-QLFBSQMISA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@H](N)CCCCC[C@H]1C[C@@H]1C	2248845638	QMTAOGLRVLININ-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CC(C)=CC[C@H](O)CC[C@H](C)CCCC(C)C	2250484038	BVKFFXQAHCYFAI-CVEARBPZSA-N	240.431	4.946	0	10	BJAE	
CCCC[C@](O)(CC)C[C@]12CCCC[C@@H]1CC2	2251217196	FWMJRYDYPJDVNV-BZUAXINKSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@@H](N)CCC2CC(C)C2)CCC1	2251752744	JJSQPPDMSHWCKE-NRXISQOPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1CCCCC12CC2)C1CC1	2253801026	BCTASADGRQVUNC-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H](CC[C@@H]2CCCCC23CC3)CCN1	2253849710	CTJRLDAVBVOHOS-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@H]1CC[C@@H](N)CC1CC2(CCCC2)C1	2254122476	GAQJXIKFODLVTH-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C[C@H]2CCC23CCC3)C1	2255009761	PYKIDLSZEPYVTE-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](O)CC2=CCCCC2)c1	2255092020	QACCKMNHYRGHID-KRWDZBQOSA-N	244.378	4.536	0	10	BJAE	
Cc1ccc(C)c(OCC[C@@H]2CCCC23CC3)c1	2255303689	LRYWCWLVBMQLRJ-HNNXBMFYSA-N	244.378	4.653	0	10	BJAE	
CCCc1ccc(CN(C)[C@H](C)[C@@H](C)CC)cc1	2256318067	PJGSGKDYCTWORE-LSDHHAIUSA-N	247.426	4.506	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)[C@@]1(C)CC=CCC1	2257279762	DCFYSNSYQKNNJH-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CCc1ccccc1NCCCCC[C@H]1C[C@H]1C	2257320796	JJRUYKXJDQXCKF-ZBFHGGJFSA-N	245.410	4.877	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2CCC[C@@H]3C[C@H]32)c1	2257905410	BGLCGNMFWQXWEB-DAXOMENPSA-N	243.394	4.585	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@@]12CCCC[C@H]1CC2	2260485999	BGJHCTIEPKRDHX-IVDNXHHHSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@@]23CCC[C@H]2CC3)cc1	2260515007	DQBFYNWNRLLEBG-DOTOQJQBSA-N	242.362	4.573	0	10	BJAE	
CCN[C@H](C[C@]12CCCC[C@H]1CC2)C1(CC)CC1	2260581673	FADPFLFREQYJGQ-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CC[C@]12CCCC[C@H]1CC2)CC1CCCC1	2260624521	URRYKGOMKYENCS-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@@H]1CC[C@]1(N)C[C@]12CCCC[C@H]1CC2	2260677911	IAORXKGJSXURES-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC1CC(CC[C@H](N)C[C@H]2CC23CCCCC3)C1	2261490206	JJMCFQBOLVMMTE-CKUJCDMFSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@@H](C)CC2CCC2)CC1	2298894397	YCJXMBSMHXEYSG-YDHLFZDLSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)[C@@H](N)CC=C(C)CCCC(C)C	2300873664	BLTWBASXTAXBJN-HNNXBMFYSA-N	239.447	4.913	0	10	BJAE	
CC(=CCC[C@@H]1CCCCN1)CCCC(C)C	2300916713	RKBVHITWCNCYFR-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCc1ccccc1OC(F)(F)F	2302229747	ZBCUKJPIPKZYPB-UHFFFAOYSA-N	246.272	4.564	0	10	BJAE	
C[C@H]1CCCC[C@@]1(N)CCCC1=CCCCC1	2302359769	UVQGZUDDSQCZIV-GOEBONIOSA-N	235.415	4.565	0	10	BJAE	
CCC1([C@H](N)C[C@@H]2CCC(C)(C)C2)CCCC1	2302674454	AMKPNSYQDLDFJC-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC[C@@](CN)(C[C@H]1CCC(C)=C(C)C1)C(C)C	2303515064	FHOJEDRCFCEIDV-HOTGVXAUSA-N	237.431	4.524	0	10	BJAE	
CC1(C)CC[C@H](CC[C@](C)(O)CCC2CC2)C1	2304384853	QOINGRPKVITWHJ-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](CCCC2(N)CCCCC2)C1	2304432055	QVZWHKSVAXLDIL-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)C1CC=CC1	2307816581	GMPPIYUPNMBSQR-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](O)c1ccccc1C	2307823863	PYZGGZFIDMRGKC-GDBMZVCRSA-N	234.383	4.635	0	10	BJAE	
CCC[C@H](CC)C[C@H](NCC)C1CC(CC)C1	2307905465	XFMJLFBTBYVWFA-LBDPXKHJSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H]1CCC[C@@H](C[C@H](CC)CCC)C1	2307906118	BZSHXXUSTFZRSS-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	2313030844	MVNPYFDQJOZJBI-OWVAZHOYSA-N	248.410	4.598	0	10	BJAE	
CCC(C)=CC[C@@H](NC)C1CC2(C1)CC(C)(C)C2	2316508057	HZBSZJWILXWARH-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC(=CCC(=O)[C@H]1C[C@H]1C1CC1)CCCC(C)C	2316561702	CEWUTOLTYYBHBF-HOTGVXAUSA-N	248.410	4.764	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317115709	YFWNTNHOIQKCNA-WCXIOVBPSA-N	249.442	4.524	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2	2317153405	BGSRKGFMCSCGJH-QBPKDAKJSA-N	249.442	4.523	0	10	BJAE	
CN[C@@H](CCCCC1CC1)CCC1=CCCCC1	2317904697	QPBHZXABOWIUCC-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
C[C@@H]1[C@H](N[C@H]2CCCC3(CCCC3)C2)CC1(C)C	2318185911	MCQTWEUWKFRGOT-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C(C)(C)C[C@@]1(N)C1=CC[C@@H](C(C)(C)C)CC1	2318266780	RWNAFLFNKYTKHP-XNJGSVPQSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1[C@H](C(=O)[C@@]23CCCC[C@H]2CCC3)CC1(C)C	2318284408	HIKNYALIXGHDBE-UMPJEAMMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@@H](NCCCC2=CCCCC2)[C@H](C)C1	2318529526	RCFBSUVJTQSJBJ-BFYDXBDKSA-N	249.442	4.681	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)CCC2(CCC2)C1	2318542353	WQONNNHWQORLIC-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
O[C@]1(CCCC2=CCCCC2)C[C@@H]2CCCC[C@H]21	2318557828	OSWIQTLFHKXSPC-GVDBMIGSSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1([C@H](N)CCCC2=CCCCC2)CCC1	2318598597	SAOYACMXGYQRKU-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1Cn1ccc2ccccc21	2320226476	OJBGDRQGXULHRO-LSDHHAIUSA-N	241.378	4.714	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)C2CCC(C)CC2)CC1	2320342092	ZKEKCPINAGEVIF-IWPLNJTISA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CCCN(C[C@H]2CCC(C)=C(C)C2)CC1	2320390435	KAVZGEMXVLMYQG-IRXDYDNUSA-N	249.442	4.635	0	10	BJAE	
CC1=C(C)C[C@H](CN(C)CCC2CCCC2)CC1	2320394971	BQJIRRRGMKPTEE-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
CN[C@@H]1CCCCC[C@H]1C[C@@H]1CCC(C)=C(C)C1	2320396412	IECJSYLIKUXLOA-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
O[C@@](CCCC1=CCCCC1)(CC1CC1)C1CC1	2320622484	AQYWFWHAOCJRBF-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](N[C@H](CC1CC1)C1CC1)C1CCCCCC1	2320696220	KUHIXWXFXQBGLZ-CXAGYDPISA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@]2(N)C[C@H]3CC[C@H](C3)C2)C1	2321603988	XOAWTMXPSHUVRZ-LJIGWXMPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CC[C@H](N)C[C@]23CCC[C@H]2C3)C1	2321608750	SBAACUGFBPNDPX-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](O)C[C@@H](C)C2CC2)c1	2327677218	GPUJRHFOYSAFDS-DYVFJYSZSA-N	246.394	4.588	0	10	BJAE	
CC(C)c1cccc(NCCC[C@H]2C[C@H]2C)c1F	2327777412	GGLMOUVAJMVHHZ-OLZOCXBDSA-N	249.373	4.797	0	10	BJAE	
CCC[C@H](CC)CN1CC[C@@H](C)c2ccccc21	2328101519	JNXSBNNKQNZHCX-CABCVRRESA-N	245.410	4.827	0	10	BJAE	
Cc1ccc([C@H](C)Nc2ccc(C)c(F)c2)cc1	21058170	UWQRVLKHWBUNGN-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)c1ccc(C)cc1	35540991	XJLPKLSPGXPMHV-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CCCN[C@H](CCC(C)C)c1ccc(C)cc1C	35579531	WVWTUOXKIRQGJR-QGZVFWFLSA-N	247.426	4.780	0	10	BJAE	
CCCCCC(CCCCC)NCCC	37184374	DMYLAZYUPSUXQO-UHFFFAOYSA-N	213.409	4.515	0	10	BJAE	
CCCC[C@H](C)Nc1ccccc1C(C)(C)C	37278583	KZVKSMZCFMNHSU-ZDUSSCGKSA-N	233.399	4.975	0	10	BJAE	
C[C@H](NC(C)(C)CC(C)(C)C)C1CCCCC1	37312536	ABLFZXUNUPJQTL-ZDUSSCGKSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@@H](CC)CO[C@H](C)c1cccc(N)c1	40908498	CMOTVZLDIDPFFL-ZIAGYGMSSA-N	249.398	4.563	0	10	BJAE	
Cc1c(C)c(C)c([C@H](N)[C@H](C)C(C)C)c(C)c1C	70122865	JINNEPNNHUJZRF-BMLIUANNSA-N	247.426	4.521	0	10	BJAE	
C[C@H]1CCC[C@H](CCNC2CCCCCC2)C1	70538002	FCWMBOLDSNDIOT-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1CC[C@@H](Nc2cc(Cl)ccc2Cl)C1	70747661	LKHAEVDMXXDSHG-PSASIEDQSA-N	244.165	4.594	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1NCCC1CCCCC1	70977914	FSQIYGUSNRGNRN-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H](C3CC3)C2)ccc1F	81638834	QZCSDOZPQQJKIX-UONOGXRCSA-N	247.357	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H]1Nc1ccc2sccc2c1	83390363	NVDGNTFWIZFALU-GWCFXTLKSA-N	231.364	4.502	0	10	BJAE	
CC(C)C[C@@H]1NC[C@H](C)c2ccc(C(C)C)cc21	84231254	LLBWOASPHXVSAC-GUYCJALGSA-N	245.410	4.604	0	10	BJAE	
CCc1ccc(C(=O)C2C[C@H](C)C[C@@H](C)C2)cc1	84953001	POPVQBADQADDGQ-CHWSQXEVSA-N	244.378	4.504	0	10	BJAE	
CC(C)(C)c1ccccc1OCC1CCCC1	85151738	NFGHIWDLUNDJGF-UHFFFAOYSA-N	232.367	4.553	0	10	BJAE	
C[C@H]1CCC[C@H](NCCC2CCCCC2)CC1	86887777	RDGXBJGVONPRMS-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc([C@H](C)c2ccccc2C)cc1C	100045744	NKCSZNMKUBZFLO-HNNXBMFYSA-N	224.347	4.764	0	10	BJAE	
C/C=C\C[C@@H](C)c1ccc(OC(C)C)cc1	107578193	GMVCOWZTRNJBSD-CFHLNLSMSA-N	218.340	4.544	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)c1ccccc1	109724423	WHMGCMYPPDIWAX-GDBMZVCRSA-N	233.399	4.554	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)C1CCCCC1	109726327	GUASZZKGNHEFDR-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)N[C@@H](CC)c1ccc(C)cc1	109944734	HRAUJDJSXWUQRQ-CVEARBPZSA-N	233.399	4.614	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1ccccc1C(C)C	163742506	YALGQVFRCKQEOW-UKRRQHHQSA-N	231.383	4.801	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	166041959	IIPFFXFKYLFGJR-UMVBOHGHSA-N	244.378	4.504	0	10	BJAE	
Cc1cc(C)cc(Cn2ccc3ccc(C)cc32)c1	166393213	BTEZXTLYINXXAE-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCN[C@@H](C[C@@H](C)C(C)(C)C)C1CCCCC1	167013965	CYTCHBGEFYVRLZ-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CCC1)C[C@H](C)CC(C)(C)C	167137231	CKLBIQZFTDQINV-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)C[C@H](O)CCC(C)C	199571697	BXAYKLSHZOOQIQ-LSDHHAIUSA-N	228.420	4.636	0	10	BJAE	
CC(C)c1ccc([C@H](N)[C@@H]2CCC[C@@H](C)C2)cc1	217944442	HKFQOKNQCMBIIS-XYPHTWIQSA-N	245.410	4.636	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1C[C@H](C)CC(C)(C)C1	224956122	LCMHQBLGJWRHOV-WCQYABFASA-N	249.373	4.761	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H](CC)CCC	226002640	QFCBGNKZDVSZDS-UONOGXRCSA-N	213.409	4.514	0	10	BJAE	
Cc1cccc(N[C@@H]2C[C@@H](C)CC[C@H]2C)c1C	227003505	GUGMFXKLUCCGSW-NORZTCDRSA-N	231.383	4.540	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)c1	229190402	JPDPXEBYUUWGOC-AEGPPILISA-N	244.378	4.558	0	10	BJAE	
CCC1CCC(NC[C@@H]2CC(C)=C[C@H](C)C2)CC1	232911360	AZEBFAZFIVMAOY-PXZKZTPFSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)CC(=O)c1ccoc1CC	232995881	MTAWECHZPPJFJV-LBPRGKRZSA-N	236.355	4.631	0	10	BJAE	
CCC[C@H](C)[C@@]1(O)CCC[C@@H](CCC)CC1	233343514	CPQUAVVAFAHUNK-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNC2CCC(C)(C)CC2)C1	235663613	FHWQVXGWUDSQTL-HIFRSBDPSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc([C@@H](N)C2=CCCCCCC2)cc1	300142219	UBNJUSGYPMOMLQ-KRWDZBQOSA-N	243.394	4.529	0	10	BJAE	
CCC[C@@H](CCC[C@H](C)CC(C)C)NCC	300877953	ILJWVGROUZMPNM-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCCC[C@@H](C)NC[C@@H](C)CC(C)C	301012626	ZAWDQTWHIRJIRI-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H]1CC[C@H](N)[C@@H](C[C@@H](C)CC(C)C)C1	302443923	WRYBYPAVNLBINZ-FZKCQIBNSA-N	239.447	4.602	0	10	BJAE	
Clc1cccc(OCCC2CCCCC2)c1	304165142	IXLAOLHLIZGTDV-UHFFFAOYSA-N	238.758	4.689	0	10	BJAE	
CC(C)(C)CCCn1ccc2c(F)cccc21	305902889	CQPYVGRRDSXFBQ-UHFFFAOYSA-N	233.330	4.607	0	10	BJAE	
CC(C)[C@@]1(CC2CCCCCCC2)CCCN1	305946105	SQVRSRFJXWRKTG-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)C1CCC(C)CC1	308044179	DTKVVNJQIQVIKI-FJBKBRRZSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC[C@H](C)C1NCC(C)(C)C1=CCCC1	308760627	XLFURLZAQXUJSC-KBPBESRZSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)([C@H](C)CC(C)C)C1	310496823	KRYXYLUXRKIZQE-OWCLPIDISA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)C1CCC(CN)([C@@H]2C=CCCC2)CC1	310742639	HTYDYIKRFYPAJK-ISXOHVOVSA-N	249.442	4.524	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)[C@H](C)C(C)C	319386247	KMMNWGVDJZBSRA-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCCCC[C@@](C)(O)[C@H]1CC2CCC1CC2	381703890	PGILTOTUDWESSJ-SSHXOBKSSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCC/C=C1/CCc2cc(N)ccc21	383253193	WRWWHNPOXHATRP-AUWJEWJLSA-N	243.394	4.815	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)(CCCCCC(C)C)C1	383527750	MEHHFWITXDERSG-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC2(C)CCCC2)C1	383582875	FWHVJWSGTLVUHQ-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
Cc1c([C@H](N)CC(C)(C)C)ccc2ccccc12	384668364	CNSKYSIJDCJQHO-MRXNPFEDSA-N	241.378	4.584	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)CC(C)(C)C)c1	384877153	HKVIQWJOAHSXQC-CYBMUJFWSA-N	219.372	4.540	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](CCC2=CCCCC2)[C@@H]1C	384999532	VGMRLSAMMPDQRY-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2cccc(C(F)F)c2)C1	386199213	RGMYGCVITILBJC-CMPLNLGQSA-N	239.309	4.615	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)C[C@H](C)C(C)(C)C	386585729	IISSGSSHYCUTCU-XJKSGUPXSA-N	247.426	4.882	0	10	BJAE	
CC(C)(C)CCCC(=O)c1csc(Cl)c1	393580448	VSSYTBQXJONTBC-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
CCCC1(CNCCC2CCCCCC2)CC1	394577356	QIFGAVRRTUZBNR-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC(C)(C)CNc1cccc2ccsc12	394617966	WENXDMLKRUMWRX-UHFFFAOYSA-N	233.380	4.749	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@H]2CCCC[C@H]2C)C1	395040201	CYJVOUKSGMULCE-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)CNc1ccc(C)cc1	395156606	QSFTUZAAANFRFZ-UHFFFAOYSA-N	219.372	4.623	0	10	BJAE	
COc1c(C(F)F)c(Cl)cc2sccc12	396182304	HHLWHJMWWYNCCR-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](O)CCCC(C)(C)C	401303833	UJDDPGUQPVWWPD-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
Cc1ccc([C@H](O)CCC(C)(C)C2CC2)c(C)c1	406097695	GJXNJXXKUOBIKF-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
Cc1cc(C(F)F)cc(Cl)c1C(F)F	575677560	QVXLOYIHMSKWBC-UHFFFAOYSA-N	226.600	4.524	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCC[C@H](C(C)C)C1	688450154	LQCYIGWIQJRVPC-HOCLYGCPSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@](O)(c1cccc(C(C)C)c1)C1CCC1	688983689	QPHVBHOYEGHWIB-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
Cc1ccc([C@H](C)N[C@H](C)CC2CCCCC2)o1	689716490	IVTRMNGMCPZUFQ-OCCSQVGLSA-N	249.398	4.598	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](C)CC1CCCCC1	689833297	ZMDRAMUPRNSWSS-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2ccc(C3CCC3)cc2)C1	690160806	JWBDINZECJCSDQ-CXAGYDPISA-N	243.394	4.945	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](N)CCC(C)(C)CC	696595130	UECYTYWMZRRDNN-JKSUJKDBSA-N	247.426	4.724	0	10	BJAE	
CCC(C)(C)CCn1ccc2ccc(C)cc21	696783811	TUMWKGIALNHBFY-UHFFFAOYSA-N	229.367	4.776	0	10	BJAE	
Cc1ccccc1C(=O)[C@]1(C)CC[C@@H](C)C1(C)C	699088436	VDGWBCGLCAQNKV-DYVFJYSZSA-N	244.378	4.640	0	10	BJAE	
C[C@@H](CCC1CC=CC1)C1CCCCC1	700946605	KDMMXDHATXGDPA-ZDUSSCGKSA-N	206.373	4.949	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)C(C)(C)CC	701185736	SVPLDRYZXFXFGN-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CCCC[C@H]1[C@H]1C[C@@H](C)Nc2ccccc21	704882318	ZXHRKSLWJPAXQR-DSJMHWKBSA-N	243.394	4.801	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C1CCCCCC1	704960722	YYGILFGPDPFKEZ-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](Oc2cccc3sccc23)C1	705077669	RYFHCPZOUDKZIB-NEPJUHHUSA-N	246.375	4.859	0	10	BJAE	
CC[C@@H]1CC[C@H](O)[C@@H](C[C@H](C)CC(C)(C)C)C1	709073263	FHDUQBKHGHQROL-XGUBFFRZSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](NC[C@@H](C)CC(C)(C)C)c1ccccc1	709095575	GGZHQTPPEOQURC-HOCLYGCPSA-N	247.426	4.800	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC(CC(C)C)CC(C)C	710106259	DCTDLJVRBVQDMC-CQSZACIVSA-N	241.463	4.862	0	10	BJAE	
CCCC[C@@H](C[C@H](C)C(C)(C)C)NC(C)C	710818566	FCALBWKYZVJITE-KBPBESRZSA-N	227.436	4.616	0	10	BJAE	
CCN[C@@H](C[C@H](CC)C(C)(C)C)c1ccccc1	711054953	RCFAMJQNOQZMNS-HOTGVXAUSA-N	247.426	4.800	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)(C)C)c1c(C)cccc1C	711123941	SOIPLJCRQOIWSX-HUUCEWRRSA-N	247.426	4.636	0	10	BJAE	
C[C@H](C[C@H](N)[C@H]1CCCCC1(C)C)C(C)(C)C	711155056	ZLVPLFUDYOLWHL-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CCc1cccc2ccn(C[C@H](C)C(C)(C)C)c12	711161902	CWIJTECSACTQFB-ZDUSSCGKSA-N	243.394	4.886	0	10	BJAE	
CCCN[C@@H](CCC)CCC(C)(C)C(C)C	713138504	CTDDTKUUZVFYHR-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)=C(C)C)[C@]1(C)C[C@@H]1C	718572807	FZIQAYTXYULKEA-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CC[C@](CCC(C)=C(C)C)(CNC)C1	718741532	ZJAGCZFCTNNYEL-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)CCCc1cccc(F)c1F	718789019	VATIIPRCMJDAQW-UHFFFAOYSA-N	224.294	4.644	0	10	BJAE	
CCC(C)(CC)[C@@H](N)CCCCCC(C)C	721722341	YIRCMKVXXWGJJX-AWEZNQCLSA-N	227.436	4.747	0	10	BJAE	
CC[C@@H]1C[C@H]1CC(=O)c1csc2ccccc12	723129777	WYYCXFIQXQVEOY-MNOVXSKESA-N	244.359	4.520	0	10	BJAE	
C1CCCC(NCC2(C3CCC3)CCC2)CCC1	1474566853	WIZUYSFIBHMZQJ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(N(C)C[C@@H]2CCCC[C@@H]2C)c(C)c1	1559489731	COKLTMQCHVNRIQ-HOCLYGCPSA-N	245.410	4.566	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N(C[C@@H](C)CC(C)(C)C)C1	1643089848	JSIMBGGMXXBQLH-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
CCc1ccc(CSc2cccc(F)c2)cc1	1643749233	GCIQDIBRAJZIFM-UHFFFAOYSA-N	246.350	4.680	0	10	BJAE	
CC(C)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1	1861862404	GSHFFFNKFKCPRH-UHFFFAOYSA-N	247.382	4.528	0	10	BJAE	
CCC[C@H](C)N[C@@H]1CCCCC12CCCCC2	1875414978	STQLNYPBAOHQJP-LSDHHAIUSA-N	237.431	4.658	0	10	BJAE	
CCC(CC)CC[C@H](O)c1scc(C)c1C	1900699367	ZGSDGGMGACLHJH-ZDUSSCGKSA-N	240.412	4.615	0	10	BJAE	
CCC(CC)CC[C@H](N)c1ccc(Cl)cc1	1900701031	KJNFZHDOFKVLBC-AWEZNQCLSA-N	239.790	4.556	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1cc(F)ccc1Cl	1901628903	YLCTVNZUTDBGHY-NXEZZACHSA-N	243.753	4.572	0	10	BJAE	
CCc1cscc1N[C@@H]1CCCC(C)(C)C1	1902390573	LMNGJTMNBFCZJS-GFCCVEGCSA-N	237.412	4.691	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(N)C1(C)CCCC1	1905449104	ZUJNAUUKRVCGQM-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC1([C@@H](N)C[C@H]2CC[C@H](CC)CC2)CCC1	1909703920	WIZVPXXSHOBYAL-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
Cc1cscc1NCCC=Cc1ccccc1	1912044853	JWSMEYQHJFOHGN-UHFFFAOYSA-N	243.375	4.572	0	10	BJAE	
CC(C)c1ccccc1NC1CC2(CCCC2)C1	1912726740	OQRNMJIWJZAXJS-UHFFFAOYSA-N	243.394	4.945	0	10	BJAE	
CCCC=CCN[C@H](C)c1cc(C)c(C)cc1C	1914681660	HDKXJZCBEDXDIR-MRXNPFEDSA-N	245.410	4.619	0	10	BJAE	
CCCCCC[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1NCC	1916065943	SUNSYVAHPUQXDR-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@](C)(N)Cc1cc(C)ccc1C	1920185279	KKPIZSISQGQONK-QGZVFWFLSA-N	247.426	4.534	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C1CC(CC)C1	1921295492	DECZFBZHXASWPL-MNAZLIDISA-N	249.442	4.537	0	10	BJAE	
Fc1cccc2c1ccn2C[C@@H]1C=CCCCC1	1925790446	BJNDKFGZNFMXQZ-CYBMUJFWSA-N	243.325	4.527	0	10	BJAE	
C1=C[C@H](Cc2nc3ccccc3s2)CCCC1	1925816149	DFNDQQCPGPWAGI-LBPRGKRZSA-N	243.375	4.585	0	10	BJAE	
CCC1CC(Nc2ccc(Cl)cc2Cl)C1	1932139685	UGISINAMJHEYHA-UHFFFAOYSA-N	244.165	4.594	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C=CCCCC2)C1	1934208451	CBGBRUWPUVEEAY-ZIAGYGMSSA-N	206.373	4.949	0	10	BJAE	
CCCC(CCC)[C@H](O)[C@@H](C)CCC(C)C	1937161269	FTNALJOESXKBTH-DZGCQCFKSA-N	228.420	4.636	0	10	BJAE	
CC(C)CC[C@@H](C)C(=O)C(C)(C)C(C)(C)C	1937169126	PWZLLMKUKAXKSN-GFCCVEGCSA-N	226.404	4.700	0	10	BJAE	
CC(C)C[C@@H](C(=O)C1CCCCCC1)C(C)C	1941264209	JQKQXAFOWYHELR-OAHLLOKOSA-N	238.415	4.844	0	10	BJAE	
CC1(C)CC[C@@H](CCCCCC2CC2)C(=O)C1	1941584805	QIRQVWGXMVWTGG-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](C[C@H](O)[C@H](C)CCC(C)C)C(C)(C)C	1942662918	YHQRAQNKYBMDBE-KFWWJZLASA-N	242.447	4.882	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@@H](C)CCC(C)C)c1	1942664301	WSGJZXVQFFLOQX-AWEZNQCLSA-N	232.367	4.558	0	10	BJAE	
C[C@H]1CC(CC(=O)CCC2(C)CC2)C[C@H](C)C1	1944205860	WCNMJVOFLDKENX-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C1CCCCC1)[C@H](N)C1CCCCC1	1944665866	KVBUBOVMQXBGPJ-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC(CC)CC)C(C)(C)C(C)C	1944668398	NAYSLJXVPMTSNQ-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)([C@H]2CCC2(C)C)CC1	1945747929	KMDPGFVRZHCZQI-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1CC[C@H](C(C)C)CC1	1948428362	LSVGIWJLELCHFT-JYJNAYRXSA-N	239.447	4.616	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@H]1CCC[C@@H](C)CC1	1950925852	XGHHTKQDINKSKJ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](NC2CC(C3CCC3)C2)CC1	1966048627	NRMDJMSOOHGBED-PCKAHOCUSA-N	249.442	4.514	0	10	BJAE	
C[C@]12CCC[C@@H]1N(CCC1=CCCCC1)CCC2	1966618760	YDFCMWODZZDCQE-DLBZAZTESA-N	247.426	4.532	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNC[C@]1(C)C=CCCC1	1967836794	JJHNSFLUYDTROB-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@@H]1CCCC2(CCC2)C1	1969918190	OBZOIKFCXJHFRQ-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)C(C)(C)CCC	1976003024	IDRVIVCSCFEFAF-KGLIPLIRSA-N	228.420	4.780	0	10	BJAE	
CCCCN(C[C@H](C)C(C)(C)C)[C@@H](C)CC	1978896864	UINDZBOKCNVVCY-KBPBESRZSA-N	227.436	4.569	0	10	BJAE	
CC=CCCC[C@@H]1CCCCCCCC1=O	1984589644	RWOQGWHMOUZXIL-CQSZACIVSA-N	222.372	4.662	0	10	BJAE	
CCC[C@@](C)(N)C[C@H]1CC[C@H](CCC)CC1	1989813416	BODXFABXKGZCHE-RBSFLKMASA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(F)cc1Cl	1989823295	DTPUTNSUGBZMSL-SECBINFHSA-N	243.753	4.716	0	10	BJAE	
CCCCC[C@](O)(CC)CC1CC(CC)C1	1990090031	UWHRDOYEQJFBCH-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
Cc1cc(F)c(Cl)cc1NC1CCCCC1	1995048769	SZDAHAABDOHRTG-UHFFFAOYSA-N	241.737	4.532	0	10	BJAE	
CCCC(C)(C)C(=O)c1cc(C)c(C)cc1C	1996602571	IRHVPBGRZBAWSP-UHFFFAOYSA-N	232.367	4.621	0	10	BJAE	
CCC(C)(C)[C@@H](C)N[C@@H]1CCCC2(CCC2)C1	1997042649	LFDIQEQFFNUZPN-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC2(C)C)CC1	1997112904	ACALCEDFXDVCIF-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC1CC([C@@H](C)Nc2ccc3sccc3c2)C1	1998649256	HLTHZMSKVWVZON-QWKFWESOSA-N	245.391	4.748	0	10	BJAE	
CCC[C@@H](CC[C@@H]1CCCC(C)(C)C1)NCC	2000161319	DTLJXDSWRXDJHL-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](CC)(CNCC)C[C@H]1C[C@@H]1CC	2000499200	HZFDCFKXDGIVDZ-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CN)CCC12CCC2	2001859146	IKIJYABEKZNATA-ZBFHGGJFSA-N	237.431	4.502	0	10	BJAE	
CCCC1CCC([C@](C)(N)[C@H](C)CCC)CC1	2002924945	MUWMKMLWYHRIGO-PRLABOORSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CCC1CC1)NC1CCCCCCCC1	2003100673	SDZDBNKZMHGYRI-AWEZNQCLSA-N	237.431	4.658	0	10	BJAE	
CC1CCC(C[C@H]2CCCCCC[C@H]2N)CC1	2003101380	WFEFFEPCVSNUDG-QDIHITRGSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCCC[C@H](NCCC)c1cccs1	2003687573	HOEMNTKPCOTIDW-AWEZNQCLSA-N	249.423	4.701	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H](C)C(C)(C)C	2004231669	AYOFIUSLIPUQDY-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CC1(C)C[C@H]1C[C@@H](N)C1(C)CCCCCCC1	2004922771	KIOJHDBRKYBDQV-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@@H](CCCCCC(C)C)C1	2006662791	DLZMXBYBKUJQMH-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC(C)(C(=O)C[C@@H]2C=CCC2)CC1	2007681342	JLLXNICIFQZDKE-CYBMUJFWSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@]1(C[C@@H]2CCCC(C)(C)C2)CCCN1	2009066884	JQYAKQGFCSONNP-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CC=CCCCC(=O)C(C)(C)C1CCCCC1	2009570632	BBSQQXFQXMOMFX-UHFFFAOYSA-N	236.399	4.908	0	10	BJAE	
C/C=C/CCC[C@]1(CN)CCCC(C)(C)CC1	2009619686	NUNFBOIFLXMOIQ-APHBUQMISA-N	237.431	4.668	0	10	BJAE	
CCC(C)(C)CC[C@H]1C[C@@H](O)CC2(CCC2)C1	2012059732	WPCXMGNPRXDKRM-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)C)C[C@H](C)CC(C)(C)C	2015277641	INTDKIMHISTNFU-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)[C@@H](CC)C(C)C	2015279579	YCPYDLKLRFVIPJ-OWCLPIDISA-N	241.463	4.719	0	10	BJAE	
CCC(C)(C)C[C@@H](CC(C(C)C)C(C)C)NC	2015285206	UPJJGKCDUIHYCE-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
C[C@H](N(C)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017129236	MLTGEGVLVYHULN-ZDUSSCGKSA-N	239.447	4.569	0	10	BJAE	
CC(C)=C(C)[C@]1(N)CCC[C@H](C(C)(C)C)CC1	2017472356	JEUWZFYHDYUOPV-HOCLYGCPSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)C[C@H]2CC[C@H](C)CC2)C1	2017773675	DLHLBSMAOSMVGK-AJNGGQMLSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@@](C)(NCCCCCC2CC2)C1	2017911689	GNCAKBGBZIJQTM-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H]1C[C@H]1CC(C)C	2018128255	XRUDAGYOCXFKSH-OAGGEKHMSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@H](CC)NCC12CCC(CC1)C2	2018131437	SSFGYMWHHFWFRQ-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@H](CC)NCC(C)(C)C(C)(F)F	2018139499	SGHUDLMADAEVES-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@@]12CCCC[C@H]1C2	2018580080	CORFJHVSSPLDLI-JYJNAYRXSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)CN(C)CCCC1CCC1	2019183922	CGPOIVULDPAMTB-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CC(C)[C@H](C)N(C)[C@@H](C)[C@H]1CCCC(C)(C)C1	2019383960	FXSUYMCPSDXYSC-KKUMJFAQSA-N	239.447	4.568	0	10	BJAE	
CCCN(CCC(C)(C)C)C1CCCCCC1	2020506235	OIVSWWVFSNJCCD-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2C[C@H]2C(C)C)c1	2022478121	QWEZOGITHMJIKI-ZBFHGGJFSA-N	231.383	4.514	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)CC1CCCCCC1	2022489601	LYAQHTFHERXVNP-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
Cc1cc([C@H](N)CC2=CCCCC2)ccc1Cl	2022738487	MWMQEWKBWLMGKA-OAHLLOKOSA-N	249.785	4.539	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H]2CCCCCC2=O)C1	2024103457	ZVZOCGSMJJZEAV-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC1(CCF)CC1	2026080381	RDSSHWUYIPSWPC-CYBMUJFWSA-N	242.378	4.692	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)[C@H]1CCC[C@H]1C	2026170735	SAOMMDPPGIXGOG-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@H](c2nc(CC3CC3)cs2)CC1	2026537597	GLYAQIRKZFSBKC-DGCLKSJQSA-N	249.423	4.779	0	10	BJAE	
Cc1cccc2cc(C(=O)CCC3(C)CC3)oc12	2027731247	BHAPIFCTALIMBD-UHFFFAOYSA-N	242.318	4.504	0	10	BJAE	
Cc1cccc([C@@](C)(O)CCCCCC2CC2)c1	2028618321	FDKGBZKYYRCRSK-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CCCNC[C@H]1CCC[C@H]1CC1CCC=CCC1	2028876304	YRVHXFMAZBCNIE-DLBZAZTESA-N	249.442	4.539	0	10	BJAE	
CCCCCC[C@@H](O)c1ccccc1CC(C)C	2028916701	BSRKZVLDKUEMSH-QGZVFWFLSA-N	248.410	4.889	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CCCCC12CCCCC2	2032661814	OYMLRRLZUWEGIX-HZPDHXFCSA-N	249.442	4.754	0	10	BJAE	
C[C@@H]1CCC[C@H]1CN1CCCCC12CCCCC2	2032670243	YDAXLFZLUGKCLL-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CC(C)=C(C)CCNCC12CCC(CC1)C2(C)C	2033437343	OKPFARJHSIHUQY-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)C1	2036659285	BCGKUMNRLCUXMU-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@@H](c1ccccc1)C(C)C	2037127290	SIOWBAMOHPKAKC-JKSUJKDBSA-N	247.426	4.580	0	10	BJAE	
CC(C)[C@@H]1CCC[C@](N)(CC2CCC=CCC2)C1	2037208367	WIFXCHYIHIXGDG-SJORKVTESA-N	249.442	4.667	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)c1cccc(C2CC2)c1	2037209780	IRHLIKCZBFDYOD-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C=CCCCC2)CCCCCC1	2037268379	DTMBKDXYRXGOIR-HZPDHXFCSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CCCCCN1[C@@H]1CCC2(CCCC2)C1	2037673953	AQAMBPLWUZFNBX-JKSUJKDBSA-N	249.442	4.754	0	10	BJAE	
CC(C)=C(C)CCN(C)C[C@@H]1CC12CCCCC2	2039047785	NRZKCEOGROJRKD-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC1(C)CC2(CC([C@@H](N)CCCC3CCC3)C2)C1	2039460041	KVACZFSSBRUHGJ-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1C[C@H](C2(C)CCCCC2)C12CCC2	2039844235	QWUUQSMBUGUQRV-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](CC[C@@H]2CCc3ccccc3N2)C1	2040119101	FILMPWSYLFTUDF-IIAWOOMASA-N	243.394	4.630	0	10	BJAE	
CC[C@](N)(CC1CC=CC1)C1CCC(C)(C)CC1	2040648501	UIBYMSCJNPZTPV-KRWDZBQOSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N[C@@H]1CCCC2(CCC2)C1	2041290917	VCHBTZLCRMSDMT-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H]([C@@H]1CC=CCC1)[C@@H]1CCCC[C@@H]1C	2042015554	BDLUVZZGUUNSBX-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)NC[C@@]1(CC2=CCCC2)CC=CCC1	2042090721	DZXHYHWXCMJZFF-KRWDZBQOSA-N	247.426	4.601	0	10	BJAE	
C[C@]1([C@H](N)C[C@@H]2CCC=CCCC2)CC=CCC1	2045322424	FBYBXUPVTCDIDB-ZACQAIPSSA-N	247.426	4.587	0	10	BJAE	
CCc1ccc(NC[C@H]2CCC=CCCC2)cc1	2045330072	SYGAGHANMWTDPV-INIZCTEOSA-N	243.394	4.797	0	10	BJAE	
CCN[C@H](c1ccccc1C)C(CC)(CC)CC	2045800240	TWRNXSYICDBJEK-MRXNPFEDSA-N	247.426	4.862	0	10	BJAE	
CC[C@@](N)(CC1CCCCC1)C[C@H]1[C@H]2CCC[C@H]21	2048447577	XZHHWHBIUUFUSL-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2CCC=CCC2)C1	2049515351	QIBLMBVKIWAMNL-HNNXBMFYSA-N	248.410	4.908	0	10	BJAE	
CCCCCC1CCC(C(=O)c2ccc[nH]2)CC1	2049635139	SMLIGCKVLSUHJC-UHFFFAOYSA-N	247.382	4.584	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)[C@H]1CC[C@H](C)CC1	2049635148	SPQZAPVTAMJDEQ-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc([C@H](N)CCC2CCC(C)CC2)c1	2050459816	ATLAJSIYEGCNTF-PUJMQQBBSA-N	245.410	4.601	0	10	BJAE	
CCN[C@H](C[C@H]1CCCC(C)(C)C1)c1ccco1	2050522134	GLKKKGAQKXNDTI-ZIAGYGMSSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)C[C@H]1CC12CCCC2	2053405547	YGUVGQCENPFLQX-RHSMWYFYSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1NC[C@H]1CCCCC12CC2	2053429668	GDPGJYNXQHILSP-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@H]2CCC=CCCC2)C1	2055114537	PWTKPDIQFXYGJS-JYJNAYRXSA-N	248.410	4.908	0	10	BJAE	
CC1=C[C@@H](NCC2CCC(C(C)C)CC2)CCC1	2055550202	RLZXHICTBCSFEW-JCYILVPMSA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)[C@H](NCC2C[C@H](C)C[C@@H](C)C2)CCC1	2055551756	IUWCDBZXBZIVJY-PBFPGSCMSA-N	249.442	4.537	0	10	BJAE	
CC1=CCCC[C@@H]1N[C@H]1CCC2(CCCCC2)C1	2055671859	MLGXCYAFZIARAS-HOTGVXAUSA-N	247.426	4.578	0	10	BJAE	
CCC1(C[C@@H](N)C2(C)CCC3(CC3)CC2)CCC1	2056555943	CBZKAAJCZTUYRE-CQSZACIVSA-N	249.442	4.645	0	10	BJAE	
CCc1cc(NCC2CC(C(C)C)C2)ccc1C	2056730662	MPVGHCPNXFMGOR-UHFFFAOYSA-N	245.410	4.652	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)C1(C)CCCCC1	2056866867	AJCKVUQORYOHHC-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CN[C@H](C1=CCC(C)(C)CC1)[C@H]1CCCC[C@@H]1C	2061090530	BUMSIKZCONSITP-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C([C@H](N)C2CC(C(C)(C)C)C2)CC1	2061149856	GPFFKMBWQSXJFM-NRXISQOPSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)CC[C@@]12CCC[C@@H]1C2	2061624162	WXYFLEDWUHTTKX-DJIMGWMZSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1CCC[C@](O)(CC2CC(=C3CCC3)C2)CC1	2061681975	GGUHGEMHGXHDQR-SUMWQHHRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC(C(=O)C2CC(=C3CCC3)C2)C[C@@H](C)C1	2061730724	LKBDYLTXUYQNGE-RYUDHWBXSA-N	246.394	4.518	0	10	BJAE	
CCCN[C@@H](CCC1CC(=C2CCC2)C1)C(C)C	2061738549	DEPPGQGFCJPFTR-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CC)c1nc2c([nH]1)[C@@H](C)C[C@H](C)C2	2061879307	RHLAJDHKXGBHAU-RYUDHWBXSA-N	248.414	4.563	0	10	BJAE	
NC1(C2=CCCC2)CCC2(CCCCCC2)CC1	2065898064	QNEHRPUUYWXYBI-UHFFFAOYSA-N	247.426	4.709	0	10	BJAE	
O=C1CCCCCCCC[C@H]1C[C@@H]1CC12CCC2	2069174987	MOUMFCBYYYUPOZ-LSDHHAIUSA-N	248.410	4.886	0	10	BJAE	
CCC1CCC([C@](C)(N)C[C@@H]2CC23CCC3)CC1	2069176191	DXEITZMYNNOMJS-QDIHITRGSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@](O)(CC)C1CC(c2ccccc2)C1	2071402520	DNSAWPLGSGSRDY-OFLPRAFFSA-N	246.394	4.512	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2C[C@@H]3CCCC[C@H]32)CCC1	2071926525	QDALFKRTMYISNF-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)C1(C(C)(C)C)CCC1	2071928380	LMVNIMFLPIGBKT-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H]2CCNc3ccccc32)CC1	2072810095	TUKCYMZHXIGFHZ-RBSFLKMASA-N	243.394	4.802	0	10	BJAE	
CCC[C@@H]1CCCCN([C@@H]2C=CCCCCC2)C1	2074796689	JQLJSDAGBDXJIS-IAGOWNOFSA-N	249.442	4.778	0	10	BJAE	
CCCNC[C@]1([C@@H]2C=CCCCC2)CCC[C@@H]1C	2075363009	OKODBXOBFIDQJB-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
Cc1c(F)cccc1C(=O)C1(C)CCC(C)CC1	2077847802	BLIAVKOTBQKRMF-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2C[C@@H]2C2CCC2)C1	2079438660	JCVSSJZUXMSSND-JCUPBUFNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@H]1C[C@@H]1C1CCCCCC1	2079482803	DYGLVJBLYJSCJO-ZNMIVQPWSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1NC[C@H]1C[C@@H]1C(C)(C)C	2079619994	OHFCWHFBHPLRFO-HIFRSBDPSA-N	245.410	4.904	0	10	BJAE	
N[C@@H](CCCCCC1CC1)[C@H]1C[C@H]1C1CCCC1	2079833687	WSCUPIQDYWOLLK-ULQDDVLXSA-N	249.442	4.501	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C[C@H]1C[C@@H]1C(C)C	2079871295	RRDXYPFITFHNSY-HWMZRRJGSA-N	249.442	4.523	0	10	BJAE	
CCc1ccccc1[C@@H](C)N[C@@H](C)C(C)(C)CC	2081207541	VYEYYHDBYXRXMR-KGLIPLIRSA-N	247.426	4.724	0	10	BJAE	
CCCCC(C)(C)NCc1cc(C)cc(C)c1C	2082917257	WCGQKUOHKILZRE-UHFFFAOYSA-N	247.426	4.670	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@H]2CCC3(CCC3)NC2)C1	2082975094	FNIGSORVAAJLOH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(N)CCC[C@H]3CC[C@@H]32)C1	2082976588	RVEBWBNYLHXWQV-QBYUYEEZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)[C@@H]2CC=CCC2)c1	2083548074	AAHNYDOIKBHPKA-CYBMUJFWSA-N	242.362	4.523	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1cccc(C(C)(C)C)c1	2083552187	HPZIFVGXMSWSMZ-JKSUJKDBSA-N	248.410	4.700	0	10	BJAE	
Cc1ccc2c(ccn2Cc2cccc(C)c2C)c1	2138352013	PXQXHNXLPPPDAK-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCCCCC[C@@H](NC)c1scc(C)c1C	2210567034	FDTZWUYWLCIVRU-CYBMUJFWSA-N	239.428	4.596	0	10	BJAE	
CCCCCCC1(CN[C@@H](C)CC)CCC1	2212586328	BHDDHJAUEHJFLK-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCCCC(=O)CC1C[C@H]2CCC[C@H](C1)C2	2213280430	REVKUYOWGJSVJR-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC[C@H]1CC[C@@](O)(CCCCCCC2CC2)C1	2213581007	RLCCRNMVVXIVSL-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)c2cc(C)c(C)s2)CC1	2215818812	SQJZGRPRUNVLBP-GJZGRUSLSA-N	249.423	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](CCCCCCCC2CC2)NC1	2216879635	LOEGECZLRZXQTI-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CNC1CCC1)CC1(C)CCCC1	2217124617	JBHTWQLELIKMFO-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@]1(CNC2CCC2)CC1(C)C	2217137155	JYQPUJZNJZOMGD-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](CNC1CCC1)C(C)(C)C	2217139656	OYCZPQVXVLCBQY-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)NC[C@@](C)(CC)C[C@H](C)CC(C)C	2217157327	RWWQYPNVDUHGMI-PMPSAXMXSA-N	241.463	4.863	0	10	BJAE	
Cc1cn(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)c(C)c1C	2218327468	JXEHBGWBIZCWFD-FVQHAEBGSA-N	245.410	4.630	0	10	BJAE	
N[C@H](CCCC1CC1)CC1C[C@H]2CCC[C@H](C1)C2	2218362326	WKKITAWVLAVETK-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)CC1=O	2218374173	NHEUBWVQNRLYMM-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C/C=C/c2ccccc2)c(F)c1C	2219069387	IQYKAJONMXDPFI-RMKNXTFCSA-N	240.321	4.698	0	10	BJAE	
C[C@H]1C[C@@H](CCCCC2CC2)c2ccccc2N1	2220047202	WITVPSIAIBHIKQ-DZGCQCFKSA-N	243.394	4.945	0	10	BJAE	
N[C@H](CCC1CCC2(CC1)CC2)C1CCCCC1	2220301305	VRMZTYQOPCEYNI-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@@]1(N)CCC2(CCCCC2)C1	2220853559	RUNBIQZQCWLQER-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C2CC(C(C)(C)C)C2)CC1	2221640114	JCUACTKNAAEJJA-KVULBXGLSA-N	248.410	4.764	0	10	BJAE	
CCNC[C@]1([C@H]2CCCC[C@H]2C)CC=C(C)CC1	2221654480	OSKVMARAIIKCON-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
N[C@H]1C[C@H]2C[C@H]1C[C@H]2CCCCCCCC1CC1	2223156859	BZBIVKGYZIHTKM-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
CCCC(CCC)C(=O)c1ccc2occc2c1	2224195416	CTKALUKFVWZQTQ-UHFFFAOYSA-N	244.334	4.832	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1ccc(Cl)c(C)c1	2244786120	ZSQURRZPMRSVMR-BXUZGUMPSA-N	240.774	4.508	0	10	BJAE	
CC[C@@H](C)CC(=O)c1ccc2ccsc2c1	2246127463	PZFNVMFWTOECEK-SNVBAGLBSA-N	232.348	4.520	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CCCC[C@H]1C[C@@H]1C	2247167254	WVEPZQJUTPUKOM-KKUMJFAQSA-N	239.447	4.569	0	10	BJAE	
N[C@@H](CCC1CCCC1)c1csc(C2CC2)c1	2248053544	FATAHAJOXZUBAZ-AWEZNQCLSA-N	249.423	4.596	0	10	BJAE	
CC(C)CC(C)(C)NCCCCC[C@@H]1C[C@@H]1C	2248859789	KBTLOAXVBYKWID-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC(O)(CCCCC[C@@H]2C[C@H]2C)C1	2248864838	FIDJHSJWPJSVJY-WXLSXGNJSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)Nc1cc(C)c(C)c(C)c1	2249497072	PZWTVJYLXMCNHH-HNNXBMFYSA-N	233.399	4.993	0	10	BJAE	
CCC[C@@H](CC)C(=O)c1cc(C)c(C)cc1C	2250363064	YIINSSOMPZNJLX-CQSZACIVSA-N	232.367	4.621	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC[C@H]1CCCC12CC2	2250384327	AUQMRNPOGMRUIG-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CC[C@@H](CN)C1	2250479613	WQWHLEGPJWBJQJ-GOEBONIOSA-N	237.431	4.524	0	10	BJAE	
CC(C)CCC[C@H](C)CCN1[C@@H](C)CC[C@H]1C	2250519987	YZWLWPYCGBNMTN-HRCADAONSA-N	239.447	4.712	0	10	BJAE	
CCC(CC)C[C@@H](O)C1CC(CC(C)(C)C)C1	2251531089	HNQZANDYQRDUSD-YMAMQOFZSA-N	240.431	4.636	0	10	BJAE	
O=C1CCCCC[C@@H]1c1ccc2ccsc2c1	2253065219	KMDQNWUKBJLVPF-CYBMUJFWSA-N	244.359	4.518	0	10	BJAE	
CCC[C@@H](CC)[C@H](O)c1ccc2ccsc2c1	2253090695	ZEUKLNVBAPCNKS-ABAIWWIYSA-N	248.391	4.761	0	10	BJAE	
C[C@H]1C[C@H]1CCCCCC(=O)c1ccc(F)cc1	2254540522	XTNSHZYKNJNLNI-GXTWGEPZSA-N	248.341	4.615	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)C1CC2(CCCC2)C1	2254568281	GFLXRFGKAZGRKU-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
N[C@]1(CC2=CCCCC2)CC[C@H]2CCCC[C@H]2C1	2255096541	YBDZKZCQJKCXGF-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
CN[C@@H]1CC[C@H](C(C)C)C[C@H]1CC1=CCCCC1	2255137226	NOOZUGXPLBLDIY-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C1(C)CC=CC1	2255143382	YEEIWYIAELWYHP-INIZCTEOSA-N	247.426	4.601	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@@H](N)CC[C@H]2CCCC23CC3)C1	2255323106	LKAMKGGZQWYUBH-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](N)[C@]1(C)C=CCCC1	2257242652	VDXNGTAFKJVCKE-LTIDMASMSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCN1C2CCCC1CCC2	2257292011	MTTQRNDTPMGRLG-XNIRIUNOSA-N	249.442	4.610	0	10	BJAE	
Cc1cc(C(=O)CCCCC[C@@H]2C[C@@H]2C)oc1C	2257302798	XFTPYCMMPHJXPD-GXTWGEPZSA-N	248.366	4.686	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1CCCNC12CCC2	2257361897	OTHOEUWYGQLWBQ-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](CC)CN[C@H](CCC)c1ccccc1	2259461709	AWYVYVAXVWEGOJ-DOTOQJQBSA-N	247.426	4.944	0	10	BJAE	
CC(C)(C)CC1CC(C=C2CCCCC[C@H]2N)C1	2261305981	YMRODWKEVPVRQK-ZBCRRDGASA-N	249.442	4.667	0	10	BJAE	
CCC(CC)CC[C@@H]1CC[C@@H](C)CC[C@@H]1NC	2300686167	NJHOKCAXWUOFOL-KBMXLJTQSA-N	239.447	4.617	0	10	BJAE	
CC(=CC[C@@H](N)[C@@]1(C)C[C@H]1C)CCCC(C)C	2300876222	DGHYOYTWYYAFAO-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CCN[C@@H]1CC[C@H](CC)C[C@@H]1CC=C(C)CC	2300896437	IJORJBDQDHBCLN-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@H](CO)C1CCC1)CCCC(C)C	2300931288	ILZXHHHLHVDROM-MRXNPFEDSA-N	238.415	4.558	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@@H](C)[C@H](C)C(C)C)C1	2301700772	JQXKQMAZRWXIQP-QXSJWSMHSA-N	239.447	4.568	0	10	BJAE	
O=C(CCC[C@@H]1CC[C@@H]1C1CC1)c1cccs1	2303152339	XRSVTLRWSPPLHV-YPMHNXCESA-N	248.391	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CC[C@@H]2C[C@H]2CC)C1	2303609555	OCTMMLLXROYSHI-GBJTYRQASA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NC)C1(C)CCCCC1	2307892648	IYHAHRGJTBLLRY-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1ccc(C)cc1F	2307894827	ODBYGOHDVAUBJC-GFCCVEGCSA-N	236.330	4.533	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@H](C)C1CCCCC1	2307904578	TZVDIIQARVMKAW-HUUCEWRRSA-N	239.447	4.713	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](O)[C@@H]1CCC[C@H]1C(C)C	2307910044	MKWPVNOBQBERJG-QKPAOTATSA-N	240.431	4.636	0	10	BJAE	
CC=CCCCNC[C@H]1C[C@@H]2CCCCCC[C@@H]21	2310192123	SCQHNYSZPUYUTE-BBWFWOEESA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H](C[C@@H]1C[C@H]1CC)C1=CC[C@H](CC)CC1	2310969007	CVHGSHCWFNDKET-FSDCSDTHSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C[C@@]12CCCC[C@@H]1C2	2311147867	MSSCLZMODIVCDV-YVSFHVDLSA-N	249.442	4.645	0	10	BJAE	
C[C@@](N)(CC1CCCCC1)C[C@@H]1C[C@H]1C1CCC1	2311515964	YMQMZPKKVNRZEC-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1C[C@H]1C1CCCCCC1)C1CC1	2311526110	SVGGRZYJLMSGHG-VBNZEHGJSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H]1CC(=O)[C@@H]1C[C@H]1C1CCCCCC1	2312440499	OYVUZZQCFAJRNB-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@@H]3CC[C@H]2C3)CCCCCC1	2312910205	VJSFCCNYJCUMLZ-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](NC[C@@]23CCC[C@@H]2CC3)CC1	2313316696	KYMVZQLAOXIIEW-YVSFHVDLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](NC[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2313341251	LUSQMMGKGBENLI-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCCCCC1)C(=O)c1ccccc1	2317009154	VZXIXBDRGXNDDB-AWEZNQCLSA-N	244.378	4.866	0	10	BJAE	
CCC[C@](O)(CC)CC(C)(C)Cc1ccccc1	2317220783	QAQKOJJOLUWBCE-QGZVFWFLSA-N	248.410	4.587	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1cc(F)ccc1C(C)C	2317921902	DAXIHGSWGGZXQB-QWHCGFSZSA-N	249.373	4.797	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCCC12CC2	2317921927	DEPVWKABJLTRQW-OAHLLOKOSA-N	247.357	4.694	0	10	BJAE	
CCCCCCc1ccc([C@H](C)NCCC)cc1	2318363850	GZNUTZWSSAUHCW-HNNXBMFYSA-N	247.426	4.870	0	10	BJAE	
C1=C(CCCN[C@@H]2CCCCC23CC3)CCCC1	2318509324	FEHUMKXKKMPADS-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CCCN[C@H](CCCC1=CCCCC1)[C@H]1C[C@H]1C	2318587656	BNHQHIOAYVBVLJ-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
C1CCCCC(NC[C@H]2CC[C@@H]2C2CC2)CCC1	2319602513	IHSOHAYYEDMHOR-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1N[C@@H]1CCC12CCCCC2	2320146973	QAUCWWGNQHBADR-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H]1CC[C@@H]1C(C)(C)C	2320209225	QECRMWSVOSPRCR-PMPSAXMXSA-N	249.442	4.548	0	10	BJAE	
CC1=C(C)C[C@H](CN(CC(C)C)C2CCC2)CC1	2320336941	JISUTVXCJYENMR-MRXNPFEDSA-N	249.442	4.633	0	10	BJAE	
CC1=C(C)C[C@H](CC[C@@H](N)c2ccccc2)CC1	2320395452	WLFGWLJLWIWKOM-DOTOQJQBSA-N	243.394	4.603	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](NC)c1ccccc1CC	2328282348	OJZLFNJNMBDYPJ-RHSMWYFYSA-N	247.426	4.726	0	10	BJAE	
Cc1ccc(N[C@H](C)c2ccc(C)s2)c(C)c1	21512665	CEWGBNICLLOLDD-CYBMUJFWSA-N	245.391	4.846	0	10	BJAE	
CCCc1ccc(N[C@@H](C)c2cccs2)cc1	21816122	PDLSRMULTFBLHO-LBPRGKRZSA-N	245.391	4.874	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H](C)C2(C)CC2)cc1	36953515	OJLMIDBEIBTUIV-QWHCGFSZSA-N	231.383	4.801	0	10	BJAE	
Fc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1	37210590	IDWHVVXMTZEXCL-XJKCOSOUSA-N	247.357	4.597	0	10	BJAE	
CCCCC[C@@H](O)c1ccc(F)c2ccccc12	70373654	XSNKTZWGFUHWBA-MRXNPFEDSA-N	246.325	4.593	0	10	BJAE	
C[C@H](CC(=O)c1ccc(Cl)s1)C(C)(C)C	82628092	JUONABILMFQEPP-MRVPVSSYSA-N	244.787	4.657	0	10	BJAE	
CC[C@@H](Nc1cc(Cl)ccc1Cl)C1CC1	83054028	XIQGBIHUMHMXKC-LLVKDONJSA-N	244.165	4.594	0	10	BJAE	
CC(C)(C)CC[C@]1(N)CCCC(C)(C)CC1	83435509	QBAONBZRJBDEGK-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC1CCC([C@@]2(O)CCC[C@H](C)CC2)CC1	86892644	HSPXHSREFYSXQF-SLTXQBBLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2ccc(F)cc2C)C1	87984162	DJRSHQYSMXOJGI-CHWSQXEVSA-N	248.341	4.533	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC[C@@H]1C)C1CCCCC1	88508246	ALWRFQFXRKPJSM-OFQRWUPVSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](c1cc2ccccc2o1)C(CC)CC	94676576	BUWYTIGKDQIWCR-MRXNPFEDSA-N	245.366	4.520	0	10	BJAE	
CCC(=O)CC[C@@H](CC)c1ccc(Cl)cc1	107561376	NOXAFRMCADTFAS-LLVKDONJSA-N	238.758	4.593	0	10	BJAE	
CCCCCC[C@]1(N)CCCC[C@H]1C(C)(C)C	109704400	RQOYBRKBJCRWSU-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@@H](C)CC(C)(C)C)cc1C	109781475	KKDVWROZKGDXER-WBMJQRKESA-N	248.410	4.799	0	10	BJAE	
CCCc1cc2cccc(C(C)C)c2nc1Cl	110311962	YMPVHYXRCQGBOA-UHFFFAOYSA-N	247.769	4.964	0	10	BJAE	
CC(C)c1csc(C(C)(C)c2ccccc2)n1	131949164	XDUAXGAPLLUJLX-UHFFFAOYSA-N	245.391	4.592	0	10	BJAE	
Cc1ccc(N[C@H]2CCC(C)(C)C[C@H]2C)cc1	155832549	MQDBKEZMBCWBCD-HIFRSBDPSA-N	231.383	4.622	0	10	BJAE	
CCC(CC)(CNCC(C)C)C1=CCCCC1	161467570	YRQOOTKWDAFGPI-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)CCC[C@H]1C[C@@H](C(C)(C)C)CCC1=O	165474134	ZCMYIPVIZBMHFC-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(C)c(N[C@@H]2CCC23CCCCC3)c1	230162539	ZUKJOOWXOAQOCT-MRXNPFEDSA-N	243.394	4.828	0	10	BJAE	
CN[C@@H](c1c(C)cccc1C)C1CCCCCC1	234453092	YOMGRRRTQCMUPD-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
Cc1cccc2c(-c3ccccc3)c(C#N)ccc12	260554002	KNUWBANVANXQBB-UHFFFAOYSA-N	243.309	4.687	0	10	BJAE	
CCCC[C@H](CC)NCC1(CC)CCCC1	300390047	QXHBTIJVKVOGBJ-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)c1ccc(C)cc1C	302412742	QAEDAMXOCKTOMA-YOEHRIQHSA-N	247.426	4.780	0	10	BJAE	
CC(C)C[C@H](C)CNc1cccc2c1CCCC2	302449542	XEVAXOIGPAJQBE-AWEZNQCLSA-N	245.410	4.660	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](N)CC1(C)CCCC1	308044617	DZSKKQNVTUUDRS-GJZGRUSLSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCC(C)(C)C2=CCCC2)CC1	308757996	QUCROLRZCROQIG-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](C)n1ccc2cc(Cl)ccc21	308773106	WRCARXWSHZRKQI-SNVBAGLBSA-N	221.731	4.656	0	10	BJAE	
CCCN[C@@H](C)[C@@H](CC)CCC1CCCCC1	310069507	SQOBWJKGMPODRN-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H](C1CC1)C(C)(C)C	324230652	HASIUZMHDBYUKG-QEJZJMRPSA-N	239.447	4.616	0	10	BJAE	
CC(C)CC[C@](O)(CCC1CCCC1)C1CC1	383086989	VUWRQYHPNZMGQL-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCC[C@@H](N)C1CCCC1	383395741	QFSVYGZVYWNLAX-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](NC)c1cccc(C2=CC[C@H](C)CC2)c1	384970530	KYSMJLUCSQIDCZ-SUMWQHHRSA-N	243.394	4.561	0	10	BJAE	
CCCNCCCCC1(C)CCCCCC1	394695617	SWDFDNGZAHXFJE-UHFFFAOYSA-N	225.420	4.517	0	10	BJAE	
Cc1cccc2c1ccn2C[C@@H](C)c1ccccc1	395150597	WUWXOXCCIGNXJK-OAHLLOKOSA-N	249.357	4.753	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](NCCC=C(C)C)CC1	397764973	YDVGVHROFNHPGF-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1CC[C@H]2C[C@H]2C1	403263805	YNFVFTKWXLHAJA-ZNMIVQPWSA-N	236.399	4.598	0	10	BJAE	
Cc1c(Cl)nc2ccc(Cl)cc2c1Cl	606291660	MYNFNZPSAZTPFZ-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCCC1(CNc2ccc(F)c(C)c2)CCC1	687525549	CHVLGLFTEFBNPX-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCC1(CNc2cc(C)c(Cl)c(C)c2)CC1	687549245	DZTSMKXHPRQJGG-UHFFFAOYSA-N	237.774	4.559	0	10	BJAE	
Cc1c(Cl)cc(NCC(C)(C)C)cc1Cl	690295881	RWDWXNRBJKVTAH-UHFFFAOYSA-N	246.181	4.760	0	10	BJAE	
CCCCC[C@H](C)N[C@H]1CCCCC[C@H]1CC	691087144	HSRIYXNFQOYQMR-XHSDSOJGSA-N	239.447	4.904	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCCCC[C@H]1CC	691099859	KXGYKDKEWLUKPL-ILXRZTDVSA-N	225.420	4.514	0	10	BJAE	
CC(C)NCC1(C2CCCCC2)CC2(CCC2)C1	691423953	VYQZVMFVSXEPAG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)C1CCCCCC1	696562536	SSXBZRNPSJHSGF-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(C(F)F)cc1	701286099	ZCDQUBNFBGCBRK-SNVBAGLBSA-N	240.293	4.633	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](N)[C@@]2(C)CC2(C)C)cc1	702170733	ILIAEFQPUUZKEQ-XGWLTEMNSA-N	245.410	4.636	0	10	BJAE	
Cc1c(Cl)cccc1OCC1CCCCC1	702647142	BCVPWHAZSHDKFH-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)CCC1CCCC1	704475473	WQXRKCRQCOGEHH-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
C/C=C\[C@H](NCCC)c1csc2ccccc12	704672993	VFOXYEOVBJJWDC-UMSKNGNOSA-N	245.391	4.518	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@H]1CCCC12CC2	706266968	HKSTZPYXTXRQDM-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@H](NCC[C@H]2CC=CCC2)CC1	706871974	YXJJKGXVNRQNON-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Clc1cscc1[C@H]1CCc2ccccc2N1	710465807	PVOXVNIXJAKGNO-CYBMUJFWSA-N	249.766	4.501	0	10	BJAE	
CCCN[C@@H]1CC[C@@](C)(CC(C)(C)C(C)C)C1	713175639	RWSHOZPWNMVQJA-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@H](O)c1cccc(Cl)c1C	713199363	KTLAVRHNNIVNLF-ZDUSSCGKSA-N	240.774	4.508	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CC(C)(C)CC	713213039	YFKMBSXAEBMALM-UKRRQHHQSA-N	226.404	4.534	0	10	BJAE	
CC/C=C/C[C@@H](CC)c1ccc(C)cc1	714547594	YWWIRIXRZWDNBZ-PSKZRQQASA-N	202.341	4.845	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)c1cc(C)co1	718409367	HVQADORZXHTYIR-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@H]1C[C@@H]2C[C@@H]2C1	718635680	URYNALWPKATWIW-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(CC(C)C)CCC=CCCC1	719019533	RPNIDIGFIQYXBI-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](C[C@@]1(N)CCCCCC1(C)C)C(C)(C)C	719226798	ZSXOFFDBVNRNFI-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCCCC1CCC(C(=O)C[C@H]2C[C@H]2C)CC1	722889879	IQIDLOZQYPPSSX-XSCHDIRWSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@](N)(CC2CC(C)(C)C2)CC1	723563486	QNWCFSFBTGURPF-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](SCC1CC1)c1ccc(F)cc1F	1166246422	GTHACWJOTUJJEX-ZDUSSCGKSA-N	242.334	4.559	0	10	BJAE	
CC(C)=CCCNC1CCC2(CCCCC2)CC1	1201988596	CUGMAKVTXSPQSQ-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
C1=C[C@@H](N2CCCCC23CCCCCC3)CCC1	1460958893	OQWBFVYPGULGPO-MRXNPFEDSA-N	247.426	4.674	0	10	BJAE	
CCC(C)=CCN(Cc1ccccc1)CC(C)C	1887953470	LQQHUMPXWJOYRX-UHFFFAOYSA-N	245.410	4.501	0	10	BJAE	
Cc1ccc(Cl)c(O[C@@H](C)CC2CCC2)c1	1899410029	QZZBYXVYJPGTHR-NSHDSACASA-N	238.758	4.606	0	10	BJAE	
C[C@H](C(=O)CC1CCCCCC1)C(C)(C)C	1901127627	HMRYQHFUNCFIGJ-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
Cc1ccc(Cl)c(O[C@@H](C)[C@H](C)C(C)C)c1	1901620646	XERXYCXRJVCZPA-NEPJUHHUSA-N	240.774	4.708	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](C)CNC(C)(C)C	1905367022	SKHGQVQBGDZLNA-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)CC1CCCCC1	1905433651	HKVJZOBVCOBZMH-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)C[C@@H]1CCC[C@@H]2C[C@H]12	1907729098	CZVQZCOQOGQFQE-GZBFAFLISA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H]1CCCCCCCC1=O	1908544600	HRBACHZVNTWDHN-RBSFLKMASA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](C(=O)CCC[C@@H]1C[C@@H]1C)C(C)C	1908589903	ONKGXSHETQQCBA-ZNMIVQPWSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CC[C@H](C)N(CCCCCC(C)C)C1	1909995788	AYWNAAOPYVKPAC-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CC=CC[C@H](CC)c1ccc(OCC)cc1	1911970915	ONNMHHIYLPICDR-ZDUSSCGKSA-N	218.340	4.545	0	10	BJAE	
CCC1CCC([C@](O)(CC)C[C@@H](C)CC)CC1	1919962532	VCYGNIMQPROXQW-LBDPXKHJSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)c1ccccc1C1CC1	1920199495	AENCCTYGHGGUBR-GUYCJALGSA-N	245.410	4.564	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@H](C)C1CCCC1	1924077154	ZCCDLSFLYMKLEP-PBHICJAKSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C[C@@](C)(CN)C1CCCCC1)C(C)(C)C	1924126140	JMXJSYYQWQZJOE-CJNGLKHVSA-N	239.447	4.604	0	10	BJAE	
CC1CCC(CC(=O)[C@H](C)C2CCCC2)CC1	1924139828	TVSNLPPQVIEZPO-ROKHWSDSSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](NC[C@@H]1C=CCCCC1)c1ccsc1	1925818980	GAFRDUWMAYHVNI-UKRRQHHQSA-N	249.423	4.535	0	10	BJAE	
CCc1cc(NC[C@H]2C=CCCCC2)ccc1C	1925930322	OPMQGMXCHCLVLQ-HNNXBMFYSA-N	243.394	4.716	0	10	BJAE	
CCCC[C@](N)(CC)CCC[C@H]1CC1(C)C	1935925974	XCDLKLBJLKCPHW-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCN[C@@H](CC(C)C)[C@H](C)C(C(C)C)C(C)C	1940254270	VWWWLEJILBVKBJ-GJZGRUSLSA-N	241.463	4.575	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)CC1(C)CCCCC1	1940405637	CPOWVDIQMDAEKD-HUUCEWRRSA-N	240.431	4.924	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CC[C@@H]1CC1(C)C	1940854676	ZSFSZJOFIZRUGA-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCC[C@@H]1CC1(C)C	1940876249	LFVSLNFYUPBMHI-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CCCCCC1CC1	1941598249	XBGIUHCVWOULSE-HOTGVXAUSA-N	239.447	4.747	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CC(C)(C)CC[C@H]1C	1942661025	VCYIMGSNQAIBCH-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@@H]1CCC(C)(C)C1	1945598292	LUOVJTKXZVWPGT-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@](C)(N)c1cccc2sccc12	1945954995	BXNMHYQKOIFWNV-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@H]1C=CCCC1	1947552706	QZBZVNIORSSMSL-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1NC1CCCCCCCCC1	1947880152	FKVGOHQNTXSXBE-JKSUJKDBSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)CCNC1CCCCCCCCC1	1947881164	LGXPNQZJSPFYEY-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)CCCC(C)(C)C	1948979531	PQYYDBHXSSVKDG-ILXRZTDVSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(Cl)ccc1NC1C[C@H]2CCC[C@@H]2C1	1950298326	RSOZABQNPVNOOZ-VXGBXAGGSA-N	249.785	4.639	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC[C@H]2CC2(C)C)CC1	1950921086	BNZWTJJFBJQDQE-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCC[C@H](C)CC1	1950925237	RLZZHKARDKCAEJ-DZGCQCFKSA-N	236.399	4.908	0	10	BJAE	
CCC=CC[C@@H](C)c1cc(C)ccc1OCC	1951308869	PKBYGYMQMZYDRM-CQSZACIVSA-N	232.367	4.854	0	10	BJAE	
CCC=CC[C@@H](CCC)c1ccc(O)cc1C	1951309163	VYVQSAHWQIHLKW-CQSZACIVSA-N	232.367	4.941	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1cccc(Cl)c1Cl	1959205650	DRORDJXFJKPHRI-PSASIEDQSA-N	244.165	4.594	0	10	BJAE	
C[C@H]1C[C@@H]1c1csc(-c2ccc(Cl)cc2)n1	1968396511	MONIWDHKXQDPLX-KWQFWETISA-N	249.766	4.587	0	10	BJAE	
CC(C)CCN(C[C@@H](C)C(C)C)C1CCCC1	1968814963	BJLGZIVVJKSKJP-OAHLLOKOSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1CC[C@H](C)C1	1975749456	OYHQBIFXBZRACE-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC=CCCCc1cccc(C2(C)CC2)c1	1984616234	JNICKVBDUHTJDG-UHFFFAOYSA-N	214.352	4.637	0	10	BJAE	
CC1(C)CC2(CC(C[C@@H]3C=CCCC3)C2)C1	1986237698	NULLLCZOCLUPBI-CYBMUJFWSA-N	218.384	4.949	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)C(C)(C)CC	1990100603	SVYHATABDYMOSM-KGLIPLIRSA-N	227.436	4.760	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H](C)[C@H](C)CC	1995204653	QJMLNTGFCNVSIY-MJBXVCDLSA-N	226.404	4.844	0	10	BJAE	
CCCCCC[C@](C)(O)C1CCC(F)(F)CC1	1996555503	WNWRKGXJTYQPQS-ZDUSSCGKSA-N	248.357	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@](O)([C@@H]2CCCC(C)(C)C2)C1	2000022622	BITNVGQHGNAPGV-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCN[C@@H](CC(C)C)C[C@H]1CCCC(C)(C)C1	2000176332	NGZLBNYQEFHNQZ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCC1CC1)[C@H](C)[C@H](C)CC	2000389462	DIFNWFQZYNZNDC-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@](C)(CCCC)C(=O)O	2000485415	XIJFXGQEMMUEQL-ZFWWWQNUSA-N	242.403	4.874	0	10	BJAE	
CCCCCCC(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2002227900	GMSUSMQWGOQPMS-MUJYYYPQSA-N	236.399	4.742	0	10	BJAE	
CC1CCC(C[C@@H]2CCCCCC[C@@H]2N)CC1	2003101378	WFEFFEPCVSNUDG-CKUJCDMFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@@H]1CCCC2(CC2)C1	2003215932	YPLHWSCIAQVEBR-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)=CC[C@H](N)C1CC(C)(C)CC(C)(C)C1	2004226022	LOSFNCYANYWPEN-AWEZNQCLSA-N	237.431	4.523	0	10	BJAE	
CC[C@@H]1CC[C@H](NC2CCC(C)(CC)CC2)C1	2004368211	AZFCEGILEFIOMG-CIDNJEQPSA-N	237.431	4.514	0	10	BJAE	
CN[C@H](C1CCCC1)C1(C)CCCCCCC1	2004924121	XXPQSDKVWPIZDT-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)NCC1(C)CCCCCCC1	2004936805	FPHPLYVLXQXDQO-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC=CC[C@@]1(CNC(C)C)CCCCC1(C)C	2005595398	IWGMLJQQNBXYRK-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)[C@](O)(CC2(C)CCCCC2)CCC1	2006951415	APIVYYNWGTUGFS-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC1(CNc2ccc(CF)cc2)CCCCC1	2007020804	BCGYPCVCUHFCTK-UHFFFAOYSA-N	235.346	4.538	0	10	BJAE	
CCC1CC(C[C@H](N)C[C@H](C)CC(C)(C)C)C1	2007745999	FWTGCNPVRPULGM-VXGQWTEUSA-N	239.447	4.602	0	10	BJAE	
CC=CCCC[C@@H](N)c1csc2ccccc12	2009570609	AVUTZKDYGXTIBX-CQSZACIVSA-N	245.391	4.648	0	10	BJAE	
CC=CCCCNc1c(CC)cccc1CC	2009595336	XNWGRCOXFQZWLG-UHFFFAOYSA-N	231.383	4.580	0	10	BJAE	
CCCC(CCC)C(=O)CC1CC(=C2CC2)C1	2011076856	WXPSPPZQLJFLGI-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
C[C@H](N[C@@H]1CCCCCC12CC2)c1cccs1	2011272228	PXEYLTWTAFOYSY-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
CCCC[C@H](CC)NCC12CCCC1CCC2	2012150758	ABIYXGZEOASYCJ-PCKAHOCUSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CCC(C)C)NCCCCCC1CC1	2013323098	TXCVQIXGETXMHE-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)CN[C@@H](CC)CC1CCCCC1	2013470966	NHYHJWHHEZHXHD-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)[C@@H]1CCC1(C)C	2014850375	VHLLKSNGENRBKB-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)CN(CC)CCC(C(C)C)C(C)C	2015392740	UFCRPIPJIHHLLD-OAHLLOKOSA-N	241.463	4.673	0	10	BJAE	
CCCC1(C[C@H]2CC[C@@H](C)CCC2=O)CCC1	2015595314	LRMFYFBHWYJDIV-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1(C(C)C)CCC1	2017129557	PZHMCRRXILUWDW-CQSZACIVSA-N	238.415	4.844	0	10	BJAE	
CCC1CCC(C[C@](C)(O)C2(C)CCC2)CC1	2017647398	FGNVNHNWKAVDQI-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC1CCC2(CC1)CC2	2017794701	URIKYVLQYRBCEV-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H]1CC12CCCC2	2018135926	FNHRFMUMEACNLM-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCCCC[C@@H](CC)NCC(C)(C)CC(F)F	2018139939	XNJLFABVLDHULX-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@H]1Nc1ccccc1C1CCC1	2021027334	XAUGXBKVGCPJCK-DOMZBBRYSA-N	229.367	4.555	0	10	BJAE	
CCN(CCC(C)=C(C)C)[C@H]1CCCC1(C)C	2022054349	OMWGNRCNBALHNJ-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CC(C)[C@H]1C[C@@H]1Cn1ccc2c(Cl)cccc21	2022546572	IJTWSYZZYPEEQB-DGCLKSJQSA-N	247.769	4.587	0	10	BJAE	
CCC[C@H]1C[C@H]1CN(CC(C)C)C(CC)CC	2022567913	KGVHPLOUMFPYFP-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2CCCC(C)(C)C2)C(=O)C1	2024100675	FBYUVTDOISOGNU-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](CC)C[C@H]1CC(C)(C)CCC1=O	2024126825	YOOUBCUILHTHKS-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CC[C@@H](O)[C@@H](CC2(C)CCCCC2)C1	2024146162	INMKNTCMOYLTSN-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H](C)CC(C)C	2026165371	AVCJCBWDUJAPEH-XHSDSOJGSA-N	241.463	4.993	0	10	BJAE	
c1sc([C@@H]2C[C@@H]3CC[C@@H]3C2)nc1C1CCCC1	2026603535	PJIQKJZHAVOCMN-ITGUQSILSA-N	247.407	4.704	0	10	BJAE	
Cc1cccc([C@H](O)CCC[C@H]2CC2(C)C)c1C	2027843697	SFDGMTIMXJBLDJ-GOEBONIOSA-N	246.394	4.553	0	10	BJAE	
CC1(C)C(C)(C)C1(C)N[C@H]1CCC12CCCCC2	2028165495	JDTQCZBOPCOGPU-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](c1ccccc1)[C@H](CC(C)C)C(C)C	2028266226	USVDFXLUCSAGBB-SJORKVTESA-N	247.426	4.656	0	10	BJAE	
CCCC1([C@@H](CC2CCC=CCC2)NCC)CC1	2028872442	GAWRKWGMNVUNQC-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CCC=C(C)C)c1ccc(C2CC2)cc1	2029076190	XPHBXXFGZSBPBU-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CC[C@H](C)c1ccc(NC2C[C@@H]3CC[C@H]3C2)cc1	2029081093	OHWZZYMLCQSBER-QEJZJMRPSA-N	243.394	4.801	0	10	BJAE	
CCCc1ccccc1[C@H](O)[C@H](C)CCC(C)C	2029822597	BXLINWQSJKVNEW-RHSMWYFYSA-N	248.410	4.745	0	10	BJAE	
CC[C@H](C)c1ccc2c(c1)[C@@H](O)C[C@H](CC)CC2	2034179234	ZZWDPAMGTXWPDM-AHIWAGSCSA-N	246.394	4.596	0	10	BJAE	
CC(C)C1(CN[C@@H]2CCCCC23CCC3)CCC1	2035890078	XEJGIUKRPLEUKD-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H]3CCCC[C@@]3(C)C2)cc1	2036666443	QMIPLCBNQTXWOK-OIISXLGYSA-N	243.394	4.766	0	10	BJAE	
C[C@@H]1CCc2cc([C@H]3CCC(C)(C)C3)ccc2N1	2037692448	FOUADUIJWHDLLP-DOMZBBRYSA-N	243.394	4.727	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C[C@](C)(O)c1ccccc1	2038165254	LSQWAMFGWIHUMT-INMHGKMJSA-N	246.394	4.501	0	10	BJAE	
CC1(C)CCC(C[C@@H](N)[C@H]2CCC3(CC3)C2)CC1	2038572589	QYUOAKJSLPSSAD-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCCC1CC1)[C@H]1CC12CCCCC2	2038998909	GVNJKCOBJZGEJZ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCc2nc([C@H]3CCC[C@@H](C)CC3)[nH]c21	2039371529	XHUCVIMVGIJSNF-AGIUHOORSA-N	246.398	4.533	0	10	BJAE	
CC1(C)CC2(C1)CC(CN)(CCC1CCCC1)C2	2039422871	WBFFFPPUZWJIPS-UHFFFAOYSA-N	249.442	4.502	0	10	BJAE	
CCc1ccccc1OCC1CC(C(C)(C)C)C1	2043004684	MYVNDZLPFWXAIP-UHFFFAOYSA-N	246.394	4.700	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](C[C@@H]1CC=CCC1)NC	2045730619	QINWNXYODHZRNK-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](NC2CC3(CCCCCC3)C2)C1	2046229827	INMKPXZQSFMQLP-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CC1(C[C@@H]2CC[C@@H]3CCCN[C@@H]3C2)CCCCC1	2048088611	NMAPQHGMZWUCTN-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCC1CC(C(=O)CC2[C@H]3CCCCC[C@H]23)C1	2048470772	WHYUYSCNCASXKY-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC([C@](C)(N)C[C@H]2C=CCC2)CC1	2049486153	ANLZTZSROLFJFT-ODZFXCKXSA-N	249.442	4.667	0	10	BJAE	
CCNCC1(C[C@@H]2CCCC3(CC3)C2)CCCC1	2049845224	IEPNFVZYKHOWCZ-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
O=C(CC[C@H]1CCC2(CC2)C1)CC1CCCCC1	2049952635	YVEDBBKRWWLLAC-HNNXBMFYSA-N	248.410	4.886	0	10	BJAE	
Cc1ccccc1C(=O)C[C@H]1CCCC(C)(C)C1	2050459661	ZNGSIVVWGJOGLK-CQSZACIVSA-N	244.378	4.784	0	10	BJAE	
CC1([C@H](N)C[C@@H]2[C@H]3CCC[C@H]32)CCCCCCC1	2052479949	QHMYYTKILDNGMC-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(C[C@@H]2C=CCC2)CCCCC1(C)C	2053393730	JZZMAKDGANMHAU-WBVHZDCISA-N	249.442	4.539	0	10	BJAE	
CN[C@@H](C1CCCCCC1)[C@@H]1CCCCC12CC2	2053413366	TYGAFWHSYVBAPK-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)[C@@H]2CCCCC23CC3)C1	2053420831	NIOMZEYDUBXKJT-KKUMJFAQSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)[C@H](NCCC2CCCCCC2)CCC1	2055550449	SVWXMDVGFNDMHG-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
FCc1ccc(NCC2CCC3(CC2)CC3)cc1	2055638347	ZFXMOSMARHKFOS-UHFFFAOYSA-N	247.357	4.538	0	10	BJAE	
CN[C@H](C1=CCCCC1)C1(C)CCC(C)(C)CC1	2056555999	CSKHXGNPLFXHPU-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC(C)CNC[C@]1(CCC2(C)CC2)CC=CCC1	2059171282	GGUWCWVCLOAYJF-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCCC1CC(NC2C[C@@H]3CCCCC[C@H]3C2)C1	2059393501	GZCOPYGAOMEROR-PYBGIAKNSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC=C(C2(N)CC(C)(C)C(C)(C)C2)CC1	2061121203	DJVZYNWWEIWEBN-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CC1CC(=C2CC2)C1)NC	2061730697	LCVYWLGMPJAGDM-IRXDYDNUSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)C1(C)CC=CC1	2062642051	NISVSNDHAGEUJX-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC[C@@H](N)C1CC2(C1)CC21CCC1	2063993294	FARJLYNDYDBVDF-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](N[C@H]2CCCC3(CCC3)C2)C1	2066633795	OTDLAUQADWHGCJ-KKUMJFAQSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N[C@@H](C)[C@H]2CCC2(C)C)cc1C	2068286191	DHMGRLNTDHHFDV-XJKSGUPXSA-N	245.410	4.794	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)C[C@@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068707890	NBBCRXFDUROAIW-DGXTUMSLSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1(CC2CCC2)CC1	2069566208	IIPMIJINFINLQD-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)C2(CC3CCC3)CC2)C1	2069566553	LFRGFAKKCPABCF-VNQPRFMTSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2070946119	DRUYVXHYOAVNEV-JRBZFYFNSA-N	248.410	4.598	0	10	BJAE	
CCCC1CCC(C[C@@H](N)C2(C3CC3)CC2)CC1	2072797189	WYTKSKAOPKJCPO-ZBCRRDGASA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H]2CCc3ccccc3N2)CC1	2072813555	VBINUFSLDPVASQ-IIAWOOMASA-N	243.394	4.630	0	10	BJAE	
C[C@H]1CC[C@](C)(Nc2ccc3ccccc3c2)C1	2073014748	LSFUANZVVFSKIA-GUYCJALGSA-N	239.362	4.830	0	10	BJAE	
CCN[C@H](CCC1(CC)CC1)c1ccccc1C	2074629985	UZHNLIZFQSSUJE-MRXNPFEDSA-N	245.410	4.616	0	10	BJAE	
CCC1CCC(N(C)[C@@H]2CCCC3(CC3)C2)CC1	2074853321	CLRQMKZFJQHSGO-UYSNPLJNSA-N	249.442	4.610	0	10	BJAE	
CCCC[C@H](CC)N(C)Cc1ccc(C)c(C)c1	2074921731	JOGRSYRCPRDJTJ-KRWDZBQOSA-N	247.426	4.704	0	10	BJAE	
CCCCN(CC=Cc1ccccc1)[C@H](C)CC	2074922827	RZLWGHBJXHENBZ-MRXNPFEDSA-N	245.410	4.600	0	10	BJAE	
CCC1(C[C@H](N)[C@@H]2C[C@H]2C2CCCCC2)CCC1	2079426567	BTOMWMBDUARNJZ-XHSDSOJGSA-N	249.442	4.501	0	10	BJAE	
CCC1(NC[C@@H]2C[C@H]2C2CCCCC2)CCCC1	2079640679	NHFMSSPGTGRZAQ-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CNC[C@@]1(CC=C2CCC2)CCC1(C)C	2081676631	XJPWUGFGSMVPDF-QGZVFWFLSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@@](CC)(CC=C1CCC1)CNC1CC1	2081682989	DUVVKKAEIKKKHK-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CC1=C(C)[C@](N)(C[C@H]2CCCC(C)(C)C2)CCC1	2082975467	JBEQOXLKVKDGHE-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)[C@@H]2CCCC23CC3)C1	2082986312	LXRNAQDMYLTLAR-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H]2CCCNC23CCCCC3)CC1	2083809494	TUWWDRAXCBJSCB-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
CCc1cccc2cc(C(=O)C[C@H](C)CC)oc12	2086602975	KIFAUXOIPZZEPA-LLVKDONJSA-N	244.334	4.614	0	10	BJAE	
CC[C@@H](C)[C@@H](N)CCCCCCCC1CC1	2210525058	LKCGPNBTKTXMIZ-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
N[C@H]1CCCCCC1=CCCCCCC1CC1	2213577306	APGXNZFVMCXYGH-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
Cc1ccc(Cl)c(C/C=C/c2ccccc2)c1	2213821329	CGUWDQJNJBADAG-VMPITWQZSA-N	242.749	4.904	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](CC(C)C)C(F)F	2213852170	DSQAPUCSEFRRFD-STQMWFEESA-N	249.389	4.615	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C(C)(C)C2CCC2)C1	2215431047	HCZXONCWXKRSSE-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)C[C@H]1CC[C@@H](C)C1	2217144142	ZPZCQXIWSBCHHA-WCVJEAGWSA-N	239.447	4.617	0	10	BJAE	
CCCCC1(CN[C@H](C)CC)CC(CCC)C1	2217155594	DGAWCIXPEGSOEM-QQFBHYJXSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC=C[C@@]1(N)CCCCCCC1CC1	2218733515	WOEFFUVGLIVJMO-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC(C)(C[C@@H]2CC[C@@H]3CCCC[C@H]3N2)C1	2221026211	SXHQTEUEGWDVFT-SOUVJXGZSA-N	249.442	4.514	0	10	BJAE	
CC1(C[C@](C)(N)C2CCCCC2)CC2(CCC2)C1	2221030173	APCAECYKYNHRJV-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC1=C[C@H](C)CN(CCCCCCCC2CC2)C1	2223112323	CISDDOPYHVHRNC-HNNXBMFYSA-N	249.442	4.635	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC2CCC2)CC=CC[C@H]1C	2223538439	AZNOYJFZOUSAFH-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@@H](CN[C@H](C)CC)c1ccc(C)cc1	2223554157	YCSRFLALBCFTEA-WBVHZDCISA-N	247.426	4.657	0	10	BJAE	
Cc1ccc(-c2cccc3ccccc23)c(C=O)c1	2228046617	PGRWNQBZVFKXEO-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC2(C)CC(C)C2)CC1	2246445052	AISOLPVJOIYSGX-GRAKBVBRSA-N	238.415	4.534	0	10	BJAE	
CC1CC(C)(Cn2ccc3cccc(Cl)c32)C1	2246543256	MGAGTHUNVAMMMC-UHFFFAOYSA-N	247.769	4.731	0	10	BJAE	
CCC(C)(C)C[C@H](N)C[C@H]1CCCCC12CC2	2246603078	OTPWQQKJYYVGNQ-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C[C@@H]1CCCCC12CC2	2246614943	PNQKVDZCAQGAOG-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)C[C@@H](N)CC[C@@H]1CCCCC12CC2	2246630080	LMFWASUCGGIBIG-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)NC[C@H](C)CCC[C@@H]1CCC[C@H](C)C1	2246661111	WATOUOPHLSLSEX-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCCCC[C@H]1C[C@H]1C)C(C)C	2247111915	IDLUCPCNAZZMOH-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@H]1C[C@H](N)CC1CCCCCC1	2247310120	LAUVHUCWUSOROD-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
Cc1cn(CCCCC[C@H]2C[C@@H]2C)c(C)c1C	2248865065	GSFOUMCLEYUAMZ-LRDDRELGSA-N	233.399	4.630	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@@H](CC)CCC	2250359050	QDPJRIBCULJYEY-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCC(C)=C(C)C)NCC	2250361560	NTOISDYHVHKDLS-HZPDHXFCSA-N	239.447	4.927	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC(C)(C)C(F)(F)CC	2250368906	UBWACIYXDBSKIX-VXGBXAGGSA-N	249.389	4.602	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)c1ccoc1	2250467847	WZEVBPXQELWXQV-ZDUSSCGKSA-N	236.355	4.705	0	10	BJAE	
CCC[C@@H]1C[C@@H]1NCC[C@@H](C)CCCC(C)C	2250489522	ZNTCWSNGNDFQHB-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)[C@H](C)C(=O)O	2250495616	JWYMBZKESPQVAL-MJBXVCDLSA-N	242.403	4.586	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@H](CO)C1CCC1	2250517700	FCTFUQITPAKHJV-ZBFHGGJFSA-N	240.431	4.638	0	10	BJAE	
C[C@H](C(=O)C[C@]12CCCC[C@H]1CC2)C(C)(C)C	2251210764	GWBFYVZSFZRZRY-DVOMOZLQSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@H]1[C@H](N)C(C)(C)CCC1(C)C	2251703954	YIVRBVNFWVIYIX-KBPBESRZSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCC2CC(C)C2)C1	2251764329	BHEYRUDYYJXGJB-HXSCFSKGSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)CC[C@@H]1CCCCC12CC2	2253854930	MXBGUNZEJNPOOK-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@]2(N)CCC=CCCC2)C1	2253968746	KRYAYDDFXMCVNW-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
CC1([C@@H](N)CC2CC3(CCCC3)C2)CCCCC1	2254109784	CDYMEISIQCPQME-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC1CC2(C1)CC(C(=O)C1CCCCCCC1)C2	2254487618	LEGIESSSCQWTRX-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCNC[C@H]1CCCCC[C@H]1CC1=CCCCC1	2255095004	DJPPQGIOXRJPJX-DLBZAZTESA-N	249.442	4.683	0	10	BJAE	
C[C@H](CC[C@@H]1CCCC12CC2)[C@H]1CC[C@H](N)CC1	2255257752	XKOWNTJIUFRRPP-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC=CCCC1)[C@H]1CC1(C)C	2257088629	BBMOIMZFQPYBAX-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(NCCCCC[C@@H]2C[C@@H]2C)c1C	2257318588	DVMAVRAMSAGTEY-GOEBONIOSA-N	245.410	4.932	0	10	BJAE	
C[C@@H](Nc1cccc(C(C)(C)C)c1)[C@H]1CC1(C)C	2257961366	MALADCOQVLKDAJ-IUODEOHRSA-N	245.410	4.831	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cc(C3CC3)ccc2F)C1	2259125906	JEASZQJWFXUAAE-RISCZKNCSA-N	247.357	4.694	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccccc1C1(C)CC1	2259434551	CRGINCBSBOCKEB-XJKSGUPXSA-N	245.410	4.564	0	10	BJAE	
CN[C@H](C[C@]12CCCC[C@@H]1CC2)C1CCCCC1	2260582737	LDCOPOWTHHZZBL-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC=C([C@@H](N)C2CC(CC(C)(C)C)C2)CC1	2261191499	QSFPSFBQQVCOPO-FKFRUQKQSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@H](C)NCC=C(C)CCCC(C)C	2300865416	NBQDGGDFXXMREG-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCC1(NCC=C(C)CCCC(C)C)CCC1	2300866953	GDLGVHJKVMIICY-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)[C@H](C)C(C)C)CC1	2301684797	GXJBWIDRYQAOCP-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)NCC1(C)CCCCCC1	2301687484	BKXJOSANEOKWOC-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CCC[C@@H]1C	2301908670	VDFSFVCFAPVZBJ-FZMZJTMJSA-N	235.346	4.550	0	10	BJAE	
Cc1cc(C)c(NCCCC2(C)CC2)c(C)c1	2302459897	XJJQLXLUMAMCIE-UHFFFAOYSA-N	231.383	4.604	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCC(C)(C)C2=O)CC1	2303528013	YNASJHJMDCCINO-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](C[C@H](CC)CCC)C1(CC)CC1	2307896101	YGONHQZYAKQGNY-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)C[C@H](O)[C@@H]1CCC[C@H]1C(C)C	2307910045	MKWPVNOBQBERJG-QXSJWSMHSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2310379966	LFYHSJOWQVHYPR-KLZNWCGWSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)[C@@H]1C[C@H]1C1CCCCC1	2311525225	HSFPJMDKDPNGAA-DRPJVOAASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC1CCC1)c1ccco1	2313700164	YGFBFQQTCPGPFM-HIFRSBDPSA-N	249.398	4.537	0	10	BJAE	
CC[C@]1(C)NCC[C@H]1CC[C@H]1CCCCC12CC2	2315195310	KYELESUJVKUVHO-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCC(C)=CC[C@](C)(N)c1ccc(C(C)C)cc1	2316534972	DUGSVJYDJOPCDJ-KRWDZBQOSA-N	245.410	4.730	0	10	BJAE	
CCCc1ccc([C@@](C)(N)CC=C(C)CC)cc1	2316536692	NEVWUUONCDBLHX-KRWDZBQOSA-N	245.410	4.559	0	10	BJAE	
C[C@@H]1CCCC[C@]1(N)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316870674	SUNDWQXSFKDAAW-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
C1CCCC(C[C@@H]2CC[C@H]3CCCN[C@H]3C2)CC1	2317002997	SJISBWSUQCRFGJ-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
O[C@@H](CCCC1CCCCCC1)c1ccccc1	2317003879	XPXCMGSPMPCBTI-KRWDZBQOSA-N	246.394	4.861	0	10	BJAE	
CC(C)=CCC(=O)CC(C)(C)Cc1ccccc1	2317223259	YIUXNCUMUCMDJI-UHFFFAOYSA-N	244.378	4.571	0	10	BJAE	
C[C@@H]1[C@H](Nc2ccc3ccccc3c2)CC1(C)C	2318177750	UCJCLPDVNYVUSF-MLGOLLRUSA-N	239.362	4.686	0	10	BJAE	
CC(C)[C@H]1CCC[C@@]1(N)CCCC1=CCCCC1	2318551700	RIRZFOKAPOLMKA-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
C1=C(CCCNCCCCCC2CC2)CCCC1	2318587077	PSELCLNFBMBHRN-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
C[C@@]1([C@@H](O)CCCC2=CCCCC2)CC=CCC1	2318593926	ZRNBEIKJOTUMSP-DLBZAZTESA-N	248.410	4.764	0	10	BJAE	
CC(C)(C)C1CCC(=C[C@@]2(C)CCCCN2)CC1	2318808933	BYDZDGKCFLLCBZ-OMOCHNIRSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)CCC[C@@H]1C[C@H]1C	2318935063	BZPCTHCODSBTLV-OIISXLGYSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](CC2CC3(CCC(N)CC3)C2)C1	2319138391	KWTQNDKKMMJWNL-HOUHCIJLSA-N	249.442	4.501	0	10	BJAE	
CNC[C@]1(C[C@H]2CC[C@H](C)C2)CCC(C)=C(C)C1	2320268188	NIIQGSNSVVHXJR-RRQGHBQHSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@@](CNC(C)C)(C2CC(C)C2)CC1	2320401421	IWZOSYIYSFIXSA-IMRCBTMISA-N	249.442	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H](C)C2CCCCC2)CC1	2320406923	UWXYBZMCUXJCAA-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H](C)CC2CCCC2)CC1	2320414750	UEKUSEIBWKKSCW-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](N)[C@H](C)C2CCCC2)CC1	2320423168	KRHFDFHYRRRDGJ-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC(C)CC12CC(C(=O)CC3CC(C)(C)C3)(C1)C2	2321651584	PMLSNWRUNNNGNY-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(Nc2ccc(SC)cc2)CC1	20022036	KVZMSUBWWCJOSL-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CC[C@H](C)c1ccc(NCc2ccccc2)cc1	35040861	CSLHUILQRZYCGO-AWEZNQCLSA-N	239.362	4.812	0	10	BJAE	
CCCN[C@H](c1ccc(CCC)cc1)C(C)(C)C	35582823	ZWINSNGTCSDYMX-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CC(C)C(=O)c1ccc(C(C)C)cc1C(C)C	36941238	DXTXSAXMZUOUPQ-UHFFFAOYSA-N	232.367	4.772	0	10	BJAE	
Cc1cc(Cl)c2ncc(Cl)c(Cl)c2c1	41702519	GLXCHQMHNFZYLV-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1cc(C)ccc1C	68860513	FXJHHNFOQAHFBS-RDJZCZTQSA-N	248.410	4.943	0	10	BJAE	
CC[C@H]1CCCC[C@H]1Nc1cc(C)ccc1F	70977747	ODKCTKADTNKQRV-GXTWGEPZSA-N	235.346	4.515	0	10	BJAE	
CC[C@H](C)c1ccccc1NCCC(C)C	83350161	XIPJVYZBCWOFTR-ZDUSSCGKSA-N	219.372	4.658	0	10	BJAE	
CC[C@@H](NC1C[C@@H](C)C[C@@H](C)C1)c1ccccc1	84469257	NACBMADJVHZWCU-BBJBPXSTSA-N	245.410	4.552	0	10	BJAE	
CCC[C@H](C)C[C@@H](NC)C1CCC(C)(C)CC1	87942772	KKODMJOUWCWNMM-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@@H](C)c1ccc(C)c(C)c1	88293841	QETFWINWZMGFTB-MAZHCROVSA-N	247.426	4.779	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccc(C(C)(C)CC)cc1	90482239	VNRRYCJUOVCDMM-ZDUSSCGKSA-N	246.394	4.993	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Sc1cc(C)ccc1N	91935345	OWYAJLNGSKZFRR-JSGCOSHPSA-N	249.423	4.638	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)c1cc2cc(C)ccc2o1	97063400	LTHRFRFPGFRVMY-BXUZGUMPSA-N	245.366	4.567	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)c1ccc(CC)cc1	103935294	YTLJYJJKHCMNLB-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@H]1C[C@H](C)CC(C)(C)C1	111666094	WXSADFVJHQLBOU-GUTXKFCHSA-N	239.447	4.616	0	10	BJAE	
CCC1CCC(N)([C@H]2CCCC[C@@H]2CC)CC1	111745653	DUVUPIZZYQQWGZ-PYBGIAKNSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](NCC)c1cc2cccc(C)c2o1	127311778	BCHFRJMCMRLLKR-CQSZACIVSA-N	245.366	4.582	0	10	BJAE	
CC(C)CCCn1ccc2cc(Cl)ccc21	129668719	GGDLYCSPMBFWIW-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)CCCc1ccccc1	163216262	ZJZCUOFZWKYVPZ-IRXDYDNUSA-N	247.426	4.553	0	10	BJAE	
Cc1c(-c2ccc(O)cc2)ccc2ccccc12	163528296	BGFZDCSIFGDWRL-UHFFFAOYSA-N	234.298	4.521	0	10	BJAE	
CCN[C@H](c1cccc(CC(C)C)c1)[C@@H](C)CC	165811198	MYDLBTWWWPSWGX-YOEHRIQHSA-N	247.426	4.582	0	10	BJAE	
O=C(c1cccs1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	167654069	DJUKISLWCXKFMZ-JHJVBQTASA-N	248.391	4.537	0	10	BJAE	
CC1CCC([C@H](N)CCC2CCCCC2)CC1	167860507	VRGQEQALBVLMGU-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC(C)C)NCCC	168023043	XEFRNKKUZSMLMC-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC[C@H](C)CC(=O)c1cc(Cl)cc(Cl)c1	168052850	BJTMGBPAVNUHFR-QMMMGPOBSA-N	245.149	4.612	0	10	BJAE	
CC[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1	206186384	CDDAPSMXWUNKLY-VIFPVBQESA-N	235.714	4.509	0	10	BJAE	
Fc1cccc2cc(C3CCCCCC3)[nH]c12	216614810	ALOOGMLOBZKNLM-UHFFFAOYSA-N	231.314	4.745	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H](C)c1cccs1	225985785	FBDPJVYRGUGNDK-STQMWFEESA-N	239.428	4.758	0	10	BJAE	
CCCC(CCC)Nc1cc(F)ccc1Cl	231814807	SRPALDDDMRWGGC-UHFFFAOYSA-N	243.753	4.860	0	10	BJAE	
Cc1cccc2c1NC[C@@H]2[C@@H]1CCCCC1(C)C	235916977	QVULLWWSKYORPP-GJZGRUSLSA-N	243.394	4.721	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](CC)CC[C@H]1CNC	250824844	NAESBDRKIKBXNM-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CCCC[C@H]1C(C)(C)C	252391839	SJHOJPGCACCDCK-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC(C)SCc1cc2c(F)cccc2s1	258085370	QTUYBNCGONOJBK-UHFFFAOYSA-N	240.368	4.682	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](N)[C@@H]2CCC[C@H]2C)cc1	300278703	BALKLBVMMBIVKD-IXKJSCDLSA-N	245.410	4.636	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)C)C1CCCCC1	305901398	BARZWMVNVFLYAQ-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
Fc1ccc(Cl)c2cc(C(F)F)sc12	306849830	NRWLDVOZJWVQNC-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](N)c1cc(C)c(C)cc1C	308058590	FEWFHINGZMWYME-RDJZCZTQSA-N	247.426	4.684	0	10	BJAE	
CC1(C)CCC(CCCCNC(C)(C)C)CC1	310508471	LDWXSCWKOLGBRO-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(C[C@H](N)C2CCCCC2)CC1	310530339	PTHVIFFINNZBOE-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC(CN[C@@H]2C=CCCCCC2)CC1	311092396	ILRRCTSDEGQAPV-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCNCC1([C@H]2C=CCCCCC2)CCCCC1	317300760	MLWIZISBCCQDQY-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CCC(CC)[C@]1(CNC(C)C)CCCC[C@H]1C	318121316	VPQYKWYBHPPMBI-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H](C)[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1	319338914	KTEKPCABWINELD-SQWLQELKSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)c1ccc2ccccc2c1	319380150	JTXZAHZSHUUHNI-DCGLDWPTSA-N	241.378	4.522	0	10	BJAE	
Cc1cc(C)c(-c2csc(C(C)C)n2)cc1C	379715127	JNOBLYUHRXTOHE-UHFFFAOYSA-N	245.391	4.859	0	10	BJAE	
CCN[C@@H](C)c1ccc(C2=CCCC2)cc1Cl	380029658	OPHVWABAJIJGBS-NSHDSACASA-N	249.785	4.578	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CC[C@H]3CCC[C@H]3N2)CC1	381504052	IQXOHDYCTNVNNZ-OWCLPIDISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1(C)CCC1)NCCC	383534373	RWOFLYDSNWDPKW-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1(C)CCC1)NCCC	383534380	RWOFLYDSNWDPKW-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)[C@H]1CCC[C@@H](C)C1	385266882	ZJOYUYOPSKFMDV-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
Cc1cscc1N[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2	387244261	XQMSXPJLTINYIF-NJZAAPMLSA-N	249.423	4.683	0	10	BJAE	
CC[C@@H](C)CCNc1ccccc1C(F)(F)F	394401410	LQSKNPXPYIICFJ-SNVBAGLBSA-N	245.288	4.554	0	10	BJAE	
CCCc1cccc([C@@H](O)C(CC)(CC)CC)c1	395215400	JYFNEOVZSTZNLY-MRXNPFEDSA-N	248.410	4.889	0	10	BJAE	
CCc1cc2cc(SC)sc2cc1CC	396176605	GVDLZYGGBXKQOE-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCc1ccc2c(C(F)F)csc2c1S	396235774	GXKHATKTXSQIQO-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CSc1c(C(F)F)ccc2scc(F)c12	396252537	SAHWTWZHBIPMEW-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
C[C@@H](Nc1cccc2ccccc12)[C@H]1CC1(C)C	397599781	LKHXRIYLODDILL-IUODEOHRSA-N	239.362	4.686	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C[C@@H](C)C1CCC1	398674889	UOXHDYWNDWPMSV-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
Clc1cccc2ccn(C[C@H]3CC=CCC3)c12	402135204	FWJLFJNRANUETL-LBPRGKRZSA-N	245.753	4.651	0	10	BJAE	
CCC1(CNc2ccc3c(c2)CCCCC3)CC1	687538871	YYMQZDZYFMVYMW-UHFFFAOYSA-N	243.394	4.558	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)[C@H](C)CCC	688371161	WUZMYYHZQUEPRX-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1Cc2ccccc2N[C@@H]1CCCC1CCC1	688375675	VBLIPLZBUPEJTQ-XJKSGUPXSA-N	243.394	4.630	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@@H]1CCCC1(C)C	689757782	XHVJZZSZFTVOSR-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)CNc1ccc(CC)c(Cl)c1	691250007	DHTYLJAGIPAYJK-NSHDSACASA-N	239.790	4.751	0	10	BJAE	
CCC(C)(C)CC[C@@H](CCC(C)(C)C)NC	696645976	MPPXVPJPICIZCE-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CC(C)=CCC[C@H](O)C[C@@H](C)CC(C)(C)C	697561645	BTBFCPWYKGGVDI-KGLIPLIRSA-N	226.404	4.556	0	10	BJAE	
CN[C@@H](CCC=C(C)C)C1CCCCCCC1	697759227	KVIXZQLBXRCILY-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=CCCC1(N)CCC(C(C)(C)C)CC1	697770073	BRKICNXVEMOTRF-UHFFFAOYSA-N	237.431	4.667	0	10	BJAE	
CCCC1CCC(C(=O)CC2C[C@@H]3C[C@H]3C2)CC1	698038883	YPVQKPHSBCFIFB-AHNOJICISA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(C[C@@H]2CCCC[C@@]2(C)O)CC1	699659285	APMMWYBLZCFEKD-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]([C@H](CC)CC(C)C)C(C)(C)CC	701165400	NGEHLBORJZZXGL-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H]([C@@]2(N)CCCC23CCCC3)C1	704447612	QBMLLWALNJEYRV-HWMZRRJGSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](O)CCC(C)(C)C1CC1	704557676	NPLYVLIOWVHDBK-JSGCOSHPSA-N	240.431	4.636	0	10	BJAE	
C/C=C\[C@H](NCCC)c1cccc(C(C)(C)C)c1	704669106	YLCVJLOJHSRQAC-HWYHOQROSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC1CCCCC1	707609520	VSZMIXYXKKOMCJ-CVEARBPZSA-N	237.431	4.645	0	10	BJAE	
CC(C)NC[C@H](C[C@H](C)CC(C)(C)C)C(C)C	709123352	KGCNWLDADHZRBX-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)C1CCC(C)CC1	709202185	WIJKEGGICQZWPO-GRAKBVBRSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CCCC(=O)C(C)(C)C)CC(C)(C)C	709212974	PVCYXRUOGIBMFD-GFCCVEGCSA-N	226.404	4.844	0	10	BJAE	
CC(C)C1CC(Nc2ccc(C3CCC3)cc2)C1	709669153	LWXUXLJURPVKOP-UHFFFAOYSA-N	243.394	4.801	0	10	BJAE	
CCCC[C@@H](C)N[C@H](C1CCCC1)C1CCC1	711830841	GDMGCLUCPDORAC-CZUORRHYSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC[C@@H]2C[C@H]2C2CC2)C1	714856734	NBNMNTVRUWGURT-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H](C2CC3(CCC3)C2)c2ccccc2N1	717543374	PAJDIWOSTBKJBU-SWLSCSKDSA-N	241.378	4.555	0	10	BJAE	
CC(C)=C(C)CCNc1ccc(C)cc1Cl	718621237	DLHXFEUNSGDETC-UHFFFAOYSA-N	237.774	4.807	0	10	BJAE	
CCCN[C@H](C[C@@H](C)CC(C)C)C1(C)CCC1	720772735	GBUPFSATTXFEIU-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CC[C@H]3CCC[C@H]32)c1	722082807	VRFSXIMPDZQEDP-KBRIMQKVSA-N	243.394	4.801	0	10	BJAE	
CC(C)C1CCC(NCC2CCC=CCC2)CC1	1179650129	ATIRRYYQCPOBTR-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C[C@](C)(O)CC1CCCCCC1	1901056015	SVAQSFHADPHESO-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
C[C@H]1[C@@H](CC2CC(=C3CCC3)C2)CC1(C)C	1901852460	SBOONALQWZHJMG-NHYWBVRUSA-N	218.384	4.949	0	10	BJAE	
CCc1cscc1N[C@@H]1CC(C)(C)C1(C)C	1902380517	CTPSKQRBWAERQG-GFCCVEGCSA-N	237.412	4.547	0	10	BJAE	
CC(C)C(CCC(=O)CC[C@@H]1C[C@H]1C)C(C)C	1910139491	HJLLSKKMDDDFAK-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1cccc(C(C)C)c1	1910733516	GUIPNPMWBWTRFE-CABCVRRESA-N	231.383	4.658	0	10	BJAE	
CC(C)(C)C[C@@](C)(O)CCC=Cc1ccccc1	1911836701	VGLFCBFLMAVDNK-KRWDZBQOSA-N	246.394	4.667	0	10	BJAE	
C=CC=CCCCc1cccc(C(F)(F)F)c1	1912064884	BURFCAQRZHIZHX-UHFFFAOYSA-N	240.268	4.770	0	10	BJAE	
CC1(C)C[C@@H]1CCC[C@H](N)C1CC2(CCCC2)C1	1912629927	YDHMAGLATALPRI-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
CCC(CC)[C@H](C)NC1CC2(CCCCC2)C1	1912697589	KSPJNVPMVWFNOS-ZDUSSCGKSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	1919959854	MVYIBOTXWFGDRG-AALSBFMBSA-N	240.431	4.636	0	10	BJAE	
CCCc1ccc([C@@](C)(N)C[C@H](C)CCC)cc1	1920481613	KJBDYDOFGSYDMH-PBHICJAKSA-N	247.426	4.639	0	10	BJAE	
CCSc1cccc(NCC[C@H]2CC2(C)C)c1	1921559971	ZUOPYEZWXSMVNC-LBPRGKRZSA-N	249.423	4.647	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@@H]2C=CCCCC2)C1	1925764126	VQDRVSSGCMMNOH-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CN[C@@H]1CC(C)(C)CC[C@@H]1C[C@@H]1C=CCCCC1	1925892993	QTTHIXCXHCYLPV-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@@H](N)CCCCCC1CC1	1926372779	VNNQJYLQIAIECV-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CC(C)C[C@@H](N)C1CCCCCCCCC1	1938719270	RTVCKLHOGLOCLV-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H](CC1CC1)Nc1cc(Cl)ccc1C	1939405701	JOFHHBJQNITEGF-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC1(C)C)C[C@@H](C)CC	1940880881	KANFTDBUYTXUGL-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)[C@@H](CC)C(C)C	1941267865	XXRTUWYVCMFWAS-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@H](O)CCCCCC2CC2)C1	1941574869	GXRJCNWBBNLDKX-FVQBIDKESA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C)([C@@H](O)CCCCCC2CC2)C1	1941981989	MKVTUABQHJHOAD-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@H](C)C1(CN)CCC(C)(C)CC1	1942659969	STWDXXKWPGYVQE-AWEZNQCLSA-N	239.447	4.604	0	10	BJAE	
CC(C)CCC[C@H](N)[C@]12CCCC[C@H]1CCC2	1944156804	UCDGBLNWHQAFCO-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)c1ccsc1C	1944452201	NWCFBHIYSPTTHU-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)C[C@@H]1CCC[C@H]1C	1944843825	VAUXMZSQIIRHLG-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCCC1(C)CCCC1	1947454982	BPQNFMHWLLQFLR-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)C[C@@H]1CCC[C@@H](C)C1	1947514151	CQQUTNBCQZWOJN-FPCVCCKLSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C(CC)(CC)CC)C1	1948929521	JUJIDXLCZNUNIE-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
CCC(F)(F)C(C)(C)C[C@@](C)(N)CC(C)(C)C	1949029275	HSWXBSLFRQEUNL-ZDUSSCGKSA-N	249.389	4.602	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@H](N)C1(C)CCCCCC1	1949051245	MHLWHCNGAIHVEO-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@H]([C@@]2(N)CCCCCC2(C)C)C1	1949401783	GENQBPZZJRGDNZ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC[C@@H](C)C1)C(C)(C)C	1949534555	FAIQEBFKRZORDY-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC(C)(C)C)NCCC1CC(C)(C)C1	1949859953	PRCCRVAYGMFMTE-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@@H](O)CCCC(C)(C)C	1950969907	CJXUGQACGJANRC-KKUMJFAQSA-N	238.415	4.556	0	10	BJAE	
C1CCCC(CNC2CC(C3CCC3)C2)CCC1	1966050121	YOWULZCQKRKWHR-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(F)cc1N[C@H](C)C1CC2(CCC2)C1	1968312347	JNSPHNOXXCWZFX-GFCCVEGCSA-N	247.357	4.515	0	10	BJAE	
CC1(C)CCC[C@@H]1NC[C@H]1CCCCC12CCC2	1969961382	JYHDVXLNTXNRIE-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)CN(CCC[C@H]1C[C@H]1C)c1ccccc1	1970691977	OVFRPNUCBGDCGJ-CVEARBPZSA-N	245.410	4.585	0	10	BJAE	
CCCC[C@H](CC)C[C@@](CC)(CN)C(C)C	1986417844	AQXPXJYIFRPJQZ-GJZGRUSLSA-N	227.436	4.604	0	10	BJAE	
CCCC1(CC(=O)c2ccc(C)s2)CCC1	1988425508	KNXVYYYDMJJWHH-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc(Cl)cc1C	1989819506	SKKFNWKXQVTMCN-LLVKDONJSA-N	239.790	4.885	0	10	BJAE	
CC[C@@](N)(C[C@@H](C)C(C)(C)C)C1CCCCC1	1996589395	NPEHYMOJKAAAMN-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@]1(O)CCC2(CCC2)C1	1998699531	RAVLRFYYWSTWLZ-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H]1CCC[C@H]1C	2000196550	KEVMQTFGIMSDGZ-TUVASFSCSA-N	236.399	4.598	0	10	BJAE	
CSc1cccc(C(=O)CCCC2CCC2)c1	2000218405	KJMBWYQMQUYNSK-UHFFFAOYSA-N	248.391	4.562	0	10	BJAE	
CCC(C)(C)C1CCC(N)(CC2(C)CC2)CC1	2002517317	WUJWRMIXJTZDBY-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCC[C@@H]1NC1CCCCCCCC1	2003100863	SEEDTXWYMOSHRT-HOCLYGCPSA-N	237.431	4.658	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1CC[C@H](C)CC1	2003104553	WKXVIEWWENKMKA-VGWMRTNUSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@@]1(C)C=CCC1	2003326324	YHYRANLSXCVGJS-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CCCC(C=C(CC)CNCC(C)C)CCC	2004725349	NIZWANWRBGFPLY-UHFFFAOYSA-N	239.447	4.785	0	10	BJAE	
CCN[C@H](CC(C)C)C1(C)CCCCCCC1	2004921963	BTQYRGZTQGPNRS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC(C)(C)C)C[C@@]1(O)CCCCC12CC2	2005540588	CKGWVHVZFWYSFC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1=C(C)[C@@](O)(CCC2CCCCC2)CCC1	2006952251	FIHRCSSOVNVOOC-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC(CC)CC)CC[C@@H]1C	2006957465	MWWNGMXDAMEUNZ-NUEKZKHPSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(Cl)cc1[C@@H](N)C=C1CCCCC1	2007937524	PAHRCQCVLUZZGA-HNNXBMFYSA-N	249.785	4.539	0	10	BJAE	
C/C=C/CCC[C@](N)(CC)CC1CCCCC1	2009570154	XLSCSZVUZQMPMP-LLCTXKFZSA-N	237.431	4.811	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C1(C)CC(C)C1	2009620777	YANYXRVASROZLZ-HWOWSKLDSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCC)CCC[C@H](C)C1	2009630418	WRDRRTUAWNPNTR-INCBCAAFSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CCC)C1=CC[C@@H](C(C)C)CC1	2010719335	UIZJDKHAOHPLCB-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCCCNCCC[C@H]1C[C@@H]1C	2011585296	ZHYLSOMLXSCHQY-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CCCCCC[C@H]1C[C@@H](NC)CC2(CCC2)C1	2012066221	YCBWFBLYEMWVNS-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H](C)C[C@@H]1CCCCCCCCC1=O	2015387782	SEAIATPKOLQEMT-GJZGRUSLSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1C(=O)CC[C@H]1CCC(C(C)C)C(C)C	2015389888	CKKZTXFEEJGBKL-ZIAGYGMSSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@@H](CCC(C(C)C)C(C)C)NCC	2015399626	OJKVFZIOEJFCMC-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
CC1=C(C)[C@](N)(CC(C(C)C)C(C)C)CCC1	2015408204	HUTZDGPVRGEXNE-MRXNPFEDSA-N	237.431	4.523	0	10	BJAE	
CCCC1(CN(CC)C2CCCCC2)CCC1	2015593554	PDDAUCRJGCSJQW-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)CC1(CCC)CCC1	2015631208	DWKGWRQLFQUUKM-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CCCC2(C)C)CCC1	2015631385	FUBPXXOYZHCJEK-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(C)(C)C)NCC1(C(C)(C)C)CCC1	2017134965	NVBADMNFPVJWSW-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(C[C@@H](NCC)C(C)C)CC1	2017723154	JDASUUYTNZQMBC-UYSNPLJNSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CC(=O)C(C)(CC)CC)CC1	2017773003	URILPONMKZEAHJ-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)N(C)[C@H]1CCC[C@@H](CC)C1	2019198823	IZWVNUOKYKQDDI-PMPSAXMXSA-N	239.447	4.856	0	10	BJAE	
CN(CCCC(C)(C)C)CC1(C)CCCCC1	2019332933	UXTZOMVADQJOEJ-UHFFFAOYSA-N	239.447	4.715	0	10	BJAE	
CCC(C)(CC)[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2022992670	NPNUALGPNADNKP-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CC1=CCCCC1)c1cc(C)c(C)s1	2024029074	RZPPCWGQRXYXAP-AWEZNQCLSA-N	249.423	4.516	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CCCC(C)(C)C1)NC	2024095000	ODXBDSAWBBRVQJ-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1CCCNC12CCCCC2	2024621674	APATZMRCPHBFTR-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C[C@@H]1CCCNC12CCCCC2	2024621675	APATZMRCPHBFTR-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(N[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)cc1C	2027793126	KJINJEGIHYGQTQ-GKLJAUDBSA-N	245.410	4.786	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@@H]1CCCC1(C)CC1	2027835877	FPIUICJBEUJUAX-UKRRQHHQSA-N	243.394	4.630	0	10	BJAE	
CCCc1ccccc1[C@H](N)CC(C)(C)C(C)C	2027901542	MQDYFTBEQFWOEK-MRXNPFEDSA-N	247.426	4.711	0	10	BJAE	
CCCCc1ccc(C(=O)C(C)(C)C2CC2)cc1	2028109171	GOEMVFHNFLLNRL-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)[C@@]23CCC[C@@H]2C3)CC1	2028128689	UMEHVKISGGSMGS-YJJGSOMYSA-N	248.410	4.598	0	10	BJAE	
C(CCN[C@@H]1CCC12CCCCC2)CCC1CC1	2028629777	CMWOGXLKRPXURC-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)[C@]1(C)CC1(C)C	2028897250	KHEYNKZJJIWGSE-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@@H](O)c1ccccc1CC(C)C	2028916614	ARTKCWPBQIWZFO-QGZVFWFLSA-N	248.410	4.745	0	10	BJAE	
CC(C)CCCC(=O)c1ccccc1CC(C)C	2028931532	VSSIHRZMZDUKNL-UHFFFAOYSA-N	246.394	4.894	0	10	BJAE	
CC1CCC(N[C@H]2CC(C)(C)CC3(CC3)C2)CC1	2030288888	RXRGKJTVTRRKNL-NRXISQOPSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC(C)(C)C1NC[C@@]1(C)C=CCCC1	2030357274	OUCLKAWRTGJQNU-KRWDZBQOSA-N	249.442	4.537	0	10	BJAE	
CC(=CCCNC1CC1)CC1C[C@H](C)C[C@@H](C)C1	2031822165	YOLQXAAWTRTPBO-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
O=C(CCC1CCCC1)[C@]12CCCC[C@H]1CCC2	2031848312	DENRCMZKFGCETB-RDJZCZTQSA-N	248.410	4.886	0	10	BJAE	
CCCNC[C@@]1([C@@H]2C=CCCC2)CCCC1(C)C	2032112365	PVBDWHGDTALMGE-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CCCCc1ccc([C@H](N)C(C)(C)C(C)C)cc1	2032347228	VNDZNOKVFFKPLO-INIZCTEOSA-N	247.426	4.711	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@H]2CC2(C)C)c1C	2032421834	UAXQNBDSGJNHFX-AWEZNQCLSA-N	244.378	4.539	0	10	BJAE	
CC1(CCN[C@H]2CC[C@H]3CC[C@H]2C3)CCCCC1	2035040181	HYMABANXYPIRFP-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC([C@H](C[C@@H]2C=CCCC2)NC)CC1	2035600789	MYTZLVSABQFKNF-MYBQVCMBSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(C)(C)CC(=O)c1cccc(C2CC2)c1	2036354124	JVLDJCSHWHWBES-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CC1(CCCN[C@@H]2C[C@@H]3CCCC[C@@]3(C)C2)CC1	2036666163	PZDLWCDIPORMAG-UXLLHSPISA-N	249.442	4.515	0	10	BJAE	
CC1([C@H](N)CC[C@@H]2C[C@@H]2C2CC2)CCCCCC1	2037131603	UEZAHSLYZZFMOX-BZUAXINKSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C[C@H](C)c1ccccc1	2037139112	XFUWZZPXDPENAK-HOCLYGCPSA-N	247.426	4.724	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1N[C@H]1CCC12CCC2	2037396496	ICMMIKJVPNFQDP-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CC1CC1)N[C@@H](C1CCCCC1)C1CC1	2038358213	RVEKZJXOMNZBLP-SJORKVTESA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(C(=O)[C@H]2CCC[C@@H](C)CC2)cc1F	2039373351	HOUHUPOEELYHHJ-YPMHNXCESA-N	248.341	4.533	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)C[C@@H]1CC[C@@H](C)C1	2040165406	HVUWTZSXHZGPBP-CPUCHLNUSA-N	245.410	4.636	0	10	BJAE	
C[C@H](NCC1=CCCCC1)C1CCC(C)(C)CC1	2040642253	UKHDOQGHXMHWAJ-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](C1CCCCCC1)[C@H]1CC=CCC1	2042019056	LHEUJESATZCLSE-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CCC1CCCC1)[C@H]1CC=CCC1	2042019154	LWYKJHDNRYSDOS-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CC1CCC(C)(C)CC1)C1(C)CC=CC1	2042020268	VYXBWSQPIZGTKU-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
C[C@@]1(CNCCCC2CCCCC2)CC=CCC1	2042072501	QDPRGPVXWWXVSC-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C=CC=CCCC1(N)CCC2(CCCCC2)CC1	2045665064	CHPCLCFJDCKKMD-UHFFFAOYSA-N	247.426	4.731	0	10	BJAE	
CC1(C)CCC[C@H]([C@@](C)(N)C2=CCCCCC2)C1	2049535242	CZYBFHJDOLMUEM-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@H]2CC[C@H]21)C1CCCCCC1	2052286969	RLPLQGLHYIBUPT-QMCVQRASSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C1CCCC1)[C@H]1CCCCC12CCC2	2053419969	IBAYMZBUYVXAGH-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CCC(N[C@@H]2CCCC(C)=C2C)CC1	2055550325	BHUSAQDRBRBJBP-AQFXKWCLSA-N	249.442	4.824	0	10	BJAE	
FCc1ccc(N[C@@H]2CCCCC23CCC3)cc1	2055667214	JSTVUZVLMDIDER-OAHLLOKOSA-N	247.357	4.681	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H](N)C2(C)CCC3(CC3)CC2)C1	2056552398	LCQBQYKUMLWOHW-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
CCNCC1(C2CCCCC2)CCC2(CC2)CC1	2056563061	TWRNTCMXXCUUDH-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CCN[C@H](C=C1CCCC1)[C@@H]1CCCC[C@@H]1CC	2056872968	JAGSBUGWMXKZMU-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@H]2CC[C@@H](CC)C2)CC1	2061099098	MWWQVRIXXFIIIA-JHNDHUHGSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@](N)(C2=CC[C@H](C(C)(C)C)CC2)C1	2061113846	SEROMJDXFXLXDG-GUYCJALGSA-N	249.442	4.667	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@](C)(N)[C@H]2CC2(C)C)CC1	2061114914	CKRJCRRFFJKFLP-IFIJOSMWSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H]1CCCCC[C@H]1C1=CC[C@@H](CC)CC1	2061147217	MPORNTMUHUDBJJ-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@@](O)(CC2CC(=C3CCC3)C2)CCC1	2061689509	ADRCFVPSLWLOFW-KRWDZBQOSA-N	246.394	4.518	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1CC(=C2CCC2)C1	2061729824	ARTKVEITTBLTID-WBMJQRKESA-N	246.394	4.662	0	10	BJAE	
CC1(C)CCC[C@@H]1NCCC12CCC(CC1)CC2	2065260176	QMNDKUBIPBEEQV-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1NC1CCC2(CCCCCC2)CC1	2065893083	UOCYDRGFHFILJS-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
CCCC1(Nc2cccc(C(C)C)n2)CCCC1	2066358562	GPDFVCZDCZDABK-UHFFFAOYSA-N	246.398	4.730	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H]2C[C@H]3CCCC[C@H]32)CCC1	2069335133	LDABBSUKOSEXEF-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@@H](N)C23CCCC2CCC3)CCC1	2069343217	XEVMUTPCZZHGBW-ISXOHVOVSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C1(CC2CCC2)CC1	2069581847	UYCWWSARURUYEP-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC1(CCC)CC1)C1(C2CC2)CC1	2074643700	IQVOCRNLNCFGEK-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC[C@@H]2CCCC[C@H]21	2074896712	RCPHQJIKFOXTBH-LTIDMASMSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1N(C)C[C@@]1(C)C=CCCC1	2074905124	FWVVWGJVVFPYGG-ZACQAIPSSA-N	249.442	4.633	0	10	BJAE	
C[C@H]1CCC[C@H](Nc2ccccc2C2CCC2)C1	2077263732	CHGBNIGPWCVPJS-ZFWWWQNUSA-N	243.394	4.945	0	10	BJAE	
C1=C[C@H](Nc2ccccc2C2CCC2)CCCC1	2077264497	TVYBXXHBYMODRC-HNNXBMFYSA-N	241.378	4.865	0	10	BJAE	
C[C@@H]1CC[C@H](Nc2ccccc2C2CC2)C[C@H]1C	2077264722	YXZXVUMIIAXSIF-NFAWXSAZSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H]2C[C@@H]2C2CCCC2)C(=O)C1	2079849756	AVOMSTGDXJBRJU-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC=C1CCC1)c1ccccc1C	2080243747	RWQHGXLRCXWVRZ-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@]1(N)CCC[C@H]2CCCC[C@@H]21	2081117303	CEJMYTSLBSNEGK-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@H]1CCCC2(CC2)C1)[C@H]1CC[C@@H](N)CC1	2082135283	BJNWHKJHGXDAEF-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@@H]2C[C@H]2C2CCCCCC2)C1	2082262872	XGBPHYAZVRVZBQ-UKMLZYKCSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCc2cc(C[C@H]3C=CCCC3)ccc21	2082280558	YMSVCBAZHDVPKV-AWEZNQCLSA-N	240.390	4.809	0	10	BJAE	
CCC[C@H](C(=O)CCCCC1CC1)C(C)C	2211105715	SANAXYFGYBOGIL-AWEZNQCLSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CCOc1cc(C)cc(Cl)c1	2212530269	UTFQQAGZHUMWMQ-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
CCC[C@@](O)(CCCCCCC1CC1)C(F)F	2213577699	DYNGGSMXVTUHFQ-CQSZACIVSA-N	248.357	4.533	0	10	BJAE	
CCCCC[C@@H](CCCCC1CC1)NCCC	2214573825	QGBWIYGIPXBFAT-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
C[C@@H]1CC[C@@H]1C[C@@H]1CCCCCCCC[C@H]1O	2214970905	QYSYEZYBOFZWGL-LVQVYYBASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)[C@H]1CCC[C@@H](C)CC1	2215336641	YJFOUIRZUOXVAJ-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC1(C(=O)CC[C@H]2C[C@@H]2C)CCCC1	2215345182	HYHFBZQRCVVILV-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCCCN(C)[C@H]1CCC[C@H](C(C)(C)C)C1	2216246464	BVKFSMJSBJRJRQ-GJZGRUSLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](C)N(C)[C@@H]1CCC[C@H](C(C)(C)C)C1	2216259327	SVYDTTJYNANMJE-SOUVJXGZSA-N	239.447	4.712	0	10	BJAE	
CC1=CCC[C@@]1(N)CCCCCCCC1CC1	2216878016	SFJOJBOHXGLZQE-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218325454	PERYHTYDYOBHLN-OTJKEOIZSA-N	248.410	4.598	0	10	BJAE	
NC1(CCCCCC2CC2)CCC(C2CC2)CC1	2218893691	PVYFOLAPSBLWBT-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCC[C@H](CC)CNCC1(C2CC2)CC=CC1	2219258921	SZBHIYCQEGQJMK-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)c1cc(C)c(C)cc1C	2220983083	AWRARYCSSYIZFI-HUUCEWRRSA-N	244.378	4.621	0	10	BJAE	
CC1(C)CC(C)(C[C@]2(N)CCCC[C@H]2C2CC2)C1	2221027573	HTWURUKFLXVBJY-WMLDXEAASA-N	249.442	4.501	0	10	BJAE	
CC1=CC[C@H](Nc2ccc3ccccc3c2)CC1	2221655097	RKPRLEDMPBKGPM-INIZCTEOSA-N	237.346	4.751	0	10	BJAE	
CCCc1cnn(CCCCCCCC2CC2)c1	2223111819	ZZSGXHPVJUZBTP-UHFFFAOYSA-N	248.414	4.586	0	10	BJAE	
C[C@H]1CCC=C[C@@]1(N)CCCCCCCC1CC1	2223125081	PTCASFVWFIUDHS-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CC[C@@H](C)C2)C=CCCC1	2223555003	ZAWYUMQMOZXGJB-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
CC1(CN2CCC[C@]2(C)C2CCC2)CCCCC1	2223857887	SSHSWBMUUWACPD-QGZVFWFLSA-N	249.442	4.611	0	10	BJAE	
CCCCCC[C@@](C)(N)c1cccc2ccoc12	2224158785	SCPZOEPIEAGCCC-MRXNPFEDSA-N	245.366	4.577	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCOc1ccc(Cl)cc1	2243065627	GCQAWPDXWBVBHS-NEPJUHHUSA-N	238.758	4.545	0	10	BJAE	
CCCC[C@]1(C[C@H](CC)CCC)CCCN1	2244774542	HAKXADFHJZIARB-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
CC1CC(C)(CC(=O)C2CCC(C)(C)CC2)C1	2246524528	ULMCADFFKGFPAK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(C)(C)CNC(C)(C)C	2247165239	QEBPCWJYSOYGMX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](N)C[C@@]12CCCC[C@H]1CC2	2251166284	IJVLRTCPNMXTKZ-JYJNAYRXSA-N	237.431	4.501	0	10	BJAE	
N[C@@H](CC1CCCCC1)CC1CC2(CCCC2)C1	2254111959	ISKTXZJDKNBKCL-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
CC1CC2(C1)CC(C(=O)[C@H]1CCCC(C)(C)C1)C2	2254448152	QQRIZWSMTJCSHL-UHKZTBIMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)[C@H]1CCCC12CCC2	2254547098	ZTQDISDTKQKSCL-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)CCCC[C@H]1C[C@H]1C	2254588824	IEZXGGAWDQKOCF-OWCLPIDISA-N	245.410	4.520	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@](C)(N)C[C@@H]2CCC23CCC3)C1	2255013488	NAQXAFRKMQRYKV-FXUDXRNXSA-N	249.442	4.501	0	10	BJAE	
C[C@]12CCCC[C@@H]1C[C@@](O)(CC1=CCCCC1)C2	2255062929	JRVYVJHAQRDNLT-ZACQAIPSSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)C[C@@H]1CC1=CCCCC1	2255091733	NABLLMDLIFBFHU-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@H]3CC[C@H]32)cc(C)c1C	2258240533	DEFRAQURBZVSHA-USXIJHARSA-N	243.394	4.602	0	10	BJAE	
CCC[C@H](CC)C(=O)Cc1c(C)cc(C)cc1C	2259456740	ZJKWOWHSXQZHOM-HNNXBMFYSA-N	246.394	4.550	0	10	BJAE	
CC(C)(CN[C@@]12CCC[C@@H]1CC2)C1CCCCC1	2260538584	TUWJBNWSPZHSOZ-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](CC2=CCCCC2)[C@H]1N	2261445082	MONABSUGSGDVSY-LSDHHAIUSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2	2298608112	BREYHCVAJJBAGH-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2298720693	IJVLRTCPNMXTKZ-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(O)CCCC(C)C)C1	2300470854	DNCOGZZEGUVQPV-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC12CCC(CC1)C2	2300470891	DTHOBYKOUUDYQZ-PCKAHOCUSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCC[C@@H]1C1CC1	2300698613	ACHOAIIRLIMGEM-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@]1(CNC(C)(C)C)C[C@H]1C	2300703682	JCBYMWUGWLNZTH-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CC(=CCCC1(CO)CCC1)CCCC(C)C	2300892470	DYVWRJRFCBFNJQ-UHFFFAOYSA-N	238.415	4.702	0	10	BJAE	
CC1CCC(CO)(CC2CCCCCC2)CC1	2301241727	LPEQSDJZZMQMSU-UHFFFAOYSA-N	238.415	4.536	0	10	BJAE	
CCC(CC)Cn1c(C)cc2cc(F)ccc21	2301628022	HLWHXROLFDVRCN-UHFFFAOYSA-N	233.330	4.525	0	10	BJAE	
CCC[C@H](CC)Nc1cc(F)ccc1C(C)C	2301909063	YZOAZZNBRRBMGK-ZDUSSCGKSA-N	237.362	4.940	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)C[C@@H]2CCC(C)(C)C2)C1	2302747959	JFGIQJDYLWWSHX-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)C1CCCCCC1	2307894904	SWULQAVHYMEJBC-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@@H](NCC)[C@@H](C)C1CCC1	2307908352	GTYINRKVEAZFBI-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@H]1CC[C@@H]2C[C@@H]21	2308145808	UXGDQSSUBIMPHG-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1CC[C@@H]2C[C@H]12	2310923503	NYZUVQDBAPYPEL-OAGGEKHMSA-N	244.378	4.543	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)[C@@]12CCCC[C@@H]1C2	2311130526	RTOIWSBOGDEEOW-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC[C@@H]1C[C@H]1C(C)(C)C	2311559761	GYBXWHYVYRUUOR-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)C[C@@]23CCC[C@@H]2CC3)CC1	2313349763	DHBGRIXTGSIBNF-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CCC1)[C@H]1CCCNC12CCCCC2	2313694526	GEVDKPMSROLAMW-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)c1ccc(C)c(CC)c1	2314698302	XNYFMCAXFOVHQM-INIZCTEOSA-N	247.426	4.644	0	10	BJAE	
CN[C@@H](CC=C(C)CCCC(C)C)[C@@]12CC[C@@H]1C2	2316549571	JWCRRXBAFDBIBB-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
CCC(C)=CC[C@@H]1CCCCC[C@@H]1CNC1CC1	2316567362	HLVXMAFFSFAKKN-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CC)CNc1cc(C)c(OC)c(C)c1	2317368925	NFCPHAPFFJDQTF-CQSZACIVSA-N	249.398	4.550	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)CCC2(CCC2)C1	2318542352	WQONNNHWQORLIC-KRWDZBQOSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)CCCC2=CCCCC2)CC1	2318587675	BSEGWUXLZZIWDA-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
CN[C@H](CCCC1=CCCCC1)c1ccc(C)o1	2318589798	UQSXBHFCBMWRRL-OAHLLOKOSA-N	247.382	4.519	0	10	BJAE	
C[C@@H](CCC1CC1)N(C)CCCC1=CCCCC1	2318595594	RFDIUKNPKOZQRR-HNNXBMFYSA-N	249.442	4.778	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C[C@H]2CCC(C)(C)C2)CC1	2319120811	HRWMXEVLRXYDGQ-INMHGKMJSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2C[C@H]3CCC[C@@H]3C2)C1	2319131198	MNPNYOLZYJXYRE-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(CN[C@@H]2CCCC[C@@H]3C[C@@H]32)CCC1	2319436943	AMHVFBBGQXKHHZ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2C(=O)C[C@@H](C)C[C@@H]2C)CC1	2320347943	MGMQEQHTTRRWJH-KSYCFECVSA-N	248.410	4.764	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(CN)CCC[C@@H](C)C2)CC1	2320348638	SERBKOGUYASBBS-XYPHTWIQSA-N	249.442	4.668	0	10	BJAE	
CCC[C@@H](C)C[C@H](O)c1cccc(C2CCC2)c1	2320650611	UEJUHHXNJTURRS-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
C1CCCCN([C@@H](CC2CC2)C2CC2)CCCC1	2320770097	CTDDPXHUIHJNBR-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@H]2CC3(CC3)CN2)CC1	2321251473	RQUFFQHIBOJNAG-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C[C@@H]2CC[C@H]3C[C@H]23)C1	2321626580	GYLVQZGVERXPGV-RZLSGREXSA-N	248.410	4.598	0	10	BJAE	
CC(=CC[C@H]1CCC(C)(C)C1)[C@H]1CC[C@@H](N)CC1	2321640759	XRWGKHSREXNZDK-HRCADAONSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)C23CCC(CC2)C3)C1	2321645630	PVWBZEPGILOREC-HCEZTOJASA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](C)NC1CCCCCC1	20306088	DEWDRYANZSFQIY-CQSZACIVSA-N	225.420	4.658	0	10	BJAE	
CCC1CCC(Nc2ccc(Cl)cc2)CC1	20559076	FQILOKJVTXUNRM-UHFFFAOYSA-N	237.774	4.721	0	10	BJAE	
Cc1ccc([C@@H](C)NC2CCC(C)CC2)cc1C	21033539	NTPIUWCJUYSUOI-YAJUMTOWSA-N	245.410	4.533	0	10	BJAE	
CCCCCc1c[nH]c2ccc(Cl)cc12	33961965	ZSBDAAZNELQFBA-UHFFFAOYSA-N	221.731	4.554	0	10	BJAE	
CCCCC[C@H](NCCC)c1ccc(C)s1	35573083	HRKXDBMWZPYGPF-ZDUSSCGKSA-N	239.428	4.678	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@H](C)CCCC(C)C	70978081	ZPPHJXLXHISXNP-XHSDSOJGSA-N	239.447	4.760	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)c2cc(F)ccc2C)C1	71154711	DDJMGLQRMZPOLH-QWHCGFSZSA-N	248.341	4.533	0	10	BJAE	
CC(=O)c1cc(-c2ccc(C)cc2C)sc1C	77093742	JGDLVAQGPSJPGW-UHFFFAOYSA-N	244.359	4.543	0	10	BJAE	
Fc1ccccc1-c1cccc(C(F)(F)F)c1	78644020	WGPYCOWUPPZJRC-UHFFFAOYSA-N	240.199	4.512	0	10	BJAE	
CCC[C@H](C)C[C@]1(O)CCCC(C)(C)CC1	83520647	UJIJCFUCURWOLT-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCCCC1CCC(CN)(C(CC)CC)CC1	94678059	CDRGBDVDYOQMDE-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
CC[C@@H](C)[C@H](O)c1ccc(C2CCCCC2)cc1	109788640	ZEWAULRQOPUZFB-DYVFJYSZSA-N	246.394	4.814	0	10	BJAE	
C[C@@H]1CC[C@@H](NCCC(C)(C)C)c2ccccc21	123937355	LWEIBZZSNCUFBH-CZUORRHYSA-N	245.410	4.651	0	10	BJAE	
CCCCC[C@@H](N)c1cc2sccc2s1	125443630	OQWGGAWJZYKLGD-SECBINFHSA-N	239.409	4.543	0	10	BJAE	
CCC[C@H](C)C(=O)c1cccc(C2CCC2)c1	128740892	ZWTLOIAFONJEMZ-LBPRGKRZSA-N	230.351	4.573	0	10	BJAE	
CC[C@@H](Nc1cscc1C)c1ccccc1	134324633	FCJCSZTUSRPQBP-CYBMUJFWSA-N	231.364	4.620	0	10	BJAE	
CC(C)CCC[C@H](O)c1ccccc1C(C)(C)C	157389132	OAQZYCQTYWZPPT-INIZCTEOSA-N	248.410	4.844	0	10	BJAE	
CC(C)CCCC(=O)C1CCC(C)(C)CC1	165712012	YOVSCDOGDOCOKH-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CC(C)[C@@H](CCC#N)C1CCCCCC1	167081986	KWKJPKARFFXEJW-CQSZACIVSA-N	207.361	4.533	0	10	BJAE	
CCCCC[C@@](C)(O)c1cccc(C2CCC2)c1	168802433	CSPKYWIDBZFNSB-QGZVFWFLSA-N	246.394	4.742	0	10	BJAE	
CCCN[C@@H](CCC)C[C@H](C)CC(C)(C)C	168976815	ZMNKYEWZPCCKKQ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@@H](C)C1	216366880	AZQRMHBIRWSHRT-ILXRZTDVSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@@H](c1cccc(CC)c1)[C@@H](C)CCC	228859706	LUTANWUYYLAKHJ-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
Cc1cc([C@H](O)CCC(C)(C)C)ccc1Cl	229341464	PQCSVTZIJLCOPZ-CYBMUJFWSA-N	240.774	4.508	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1cccc2ccccc12	229667686	WTTAKALGTJLRLF-ZDUSSCGKSA-N	239.362	4.830	0	10	BJAE	
Cc1ccc(N[C@H]2CCC[C@H](C(C)C)C2)c(C)c1	230985043	DPIJPFYSTZONMR-HOTGVXAUSA-N	245.410	4.930	0	10	BJAE	
CCCC1CCC([C@@H](NC)[C@H](C)CCC)CC1	232900050	LZWZRDQHBBIHGM-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CC(=O)c1ccc(Cl)cc1C	233274643	YZLIUQHUUJKTHY-SNVBAGLBSA-N	238.758	4.657	0	10	BJAE	
CC(C)c1nc2c(Cl)cc(Cl)cc2s1	238166326	LWYQNWAFZDWDIC-UHFFFAOYSA-N	246.162	4.727	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC[C@H]1C)C1CCCCC1	251565040	ALWRFQFXRKPJSM-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@H]1C[C@H]2CC[C@H]1C2	300282935	FBTBXJGEFJVSSS-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1C[C@H]1N[C@H](CC(C)(C)C)c1ccccc1	300600290	VEJIWYIFLMLBRD-FVQBIDKESA-N	245.410	4.552	0	10	BJAE	
CC[C@](C)(CCC1CCCCC1)CNC1CC1	302262641	OXTDODXXIJEAFO-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCCCC1CCCCC1)C(C)C	305937179	KXDAOUVLQBWLBL-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
Fc1ccc(Cl)c2c(C(F)F)csc12	306688989	NRKHDVLIYXAZEZ-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)[C@H](CCC)CC(C)C	308060098	RMLREBCDYYEVAS-RRFJBIMHSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)CC1CCCCC1	308061071	ZGEGKLHOVZPBNB-CQSZACIVSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@@H](C)CC(C)C)CC1	310197955	AWFUBIITLXZBBY-ARFHVFGLSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC[C@@H]1CCC[C@H](C)C1)CC(C)C	310425750	OZTKFQZAJWXZBX-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C=O)ccc1-c1ccccc1C(C)C	311130554	ZWPYFDUSXZSNFZ-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
C[C@H]1CC(C)(C)CC[C@@H]1NCCCC(C)(C)C	313251114	IBMKCPDVCRTAHE-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@H](NCCCC(C)(C)C)C1CC1	313262155	AVJDZCIELIDPTA-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CNCC1(CCCC(C)C)CCCCCCC1	317039484	ODCVFYQMEOQITB-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H](C)[C@H](C)CC	318943440	WLZNYFSNLDMANG-IIAWOOMASA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CCCC/C=C/c1ccccc1)C(C)C	324170993	QVEBITILTDTJFS-ZBZNSMLMSA-N	245.410	4.504	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC1CCC(C)(C)CC1	379731906	WKUNXHOXNNXPCU-CYBMUJFWSA-N	239.447	4.760	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@@H](C)CCC	379763848	GHSXIAXPTQOLFX-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)C(C(=O)c1sccc1Cl)C(C)C	379945193	IUOASZNZIHZPBF-UHFFFAOYSA-N	244.787	4.512	0	10	BJAE	
Cc1oc(C)c(C(=O)CCC2CCCCC2)c1C	385308469	AOKQDSWCIDZNHN-UHFFFAOYSA-N	248.366	4.748	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(C)c(C)c1	388591486	LTCHLIDITSOEGU-INMHGKMJSA-N	245.410	4.533	0	10	BJAE	
Cc1ccccc1[C@@H](C)NCC(C)(C)CC(C)C	391177008	IQCYXCODUDXFDG-OAHLLOKOSA-N	247.426	4.718	0	10	BJAE	
CC[C@@H]1CC[C@@H](NCCCCCC(C)C)[C@H]1C	394770045	TWANIRSFIVMCPS-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CCc1cccc(C)c1N[C@H](C)CC(C)(C)C	395004728	HANFEPHRQNSSHJ-CYBMUJFWSA-N	233.399	4.794	0	10	BJAE	
C1CCC(CC[C@H]2NCC23CCCCCC3)CC1	395086413	CYLZWCQGOWRFOH-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc(O)c(-c2ccc(C)c3ccccc23)c1	400250801	NVXHJRXTYYTDIE-UHFFFAOYSA-N	248.325	4.829	0	10	BJAE	
O=C(CCC1CCCCC1)CC(C1CC1)C1CC1	400843504	TYSPPAWNKVWPMJ-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
CCCC[C@@H](C)Nc1ccc2c(c1)CCCC2	404568044	YSJXHRPQSRJXDJ-CYBMUJFWSA-N	231.383	4.556	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1Nc1cc(C)cc(F)c1	691137139	JUWOLSHDBAPXNU-BBRMVZONSA-N	249.373	4.905	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@]12CCCC[C@H]1C2	693197400	KIQMJRYZVJDTOF-SUMWQHHRSA-N	242.362	4.573	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@@]23CCC[C@H]2C3)cc1	693220266	WAVBWOOJEKRDCV-YLQAJVPDSA-N	242.362	4.573	0	10	BJAE	
CCCCCC[C@H](C)NC[C@]12CCCC[C@H]1C2	693630387	MYUOMSFGAPMZAU-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
C[C@H](N[C@@H]1CCCC[C@@H]1C1CC1)C1CCCCC1	696105879	RKQGLJIPMVXDFJ-IAOVAPTHSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)CC1CCCC1	696728044	OJYUWOYJNMVFBC-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](C)CCNC(C)(C)C	696804694	AKBBKLWPUFEGHX-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCNC[C@@]1(CCC=C(C)C)CC[C@@H](CC)C1	698032097	JFPAYTGNEVOWIU-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@@H](CCC1CCCCC1)[C@H]1CC12CC2	698139525	LDCVXRHSAJQMKM-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CCC[C@H]1CC	704967447	LREAAPGTDMXBLU-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCCCC[C@@](N)(C1CCC1)C1CC1	705340365	FGVNGKYAOZBUAJ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCC12CCC2	707519810	PFSPOGBWYGXCEP-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
Cc1cc(NC[C@@H](C)CC(C)(C)C)ccc1F	709103025	ONZXRBXZIOGJBJ-NSHDSACASA-N	237.362	4.618	0	10	BJAE	
C[C@H](NCC1(C)CCCCC1)[C@]12CCCC[C@@H]1C2	709151469	CVWYJMMQEHFEEX-ZMSDIMECSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(N[C@H]2CCCC[C@@H]2C2CC2)CC1	710135097	CRJCTKKYFNEOKA-CVEARBPZSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CCNc1ccccc1)C(C)(C)C	711182793	UVGIEYXBBHFPIN-CYBMUJFWSA-N	219.372	4.561	0	10	BJAE	
C1CCCC(N[C@@H]2CC[C@H]3CCCC[C@H]32)CCC1	714315031	KRJDUYSSSMLYKP-DJIMGWMZSA-N	249.442	4.658	0	10	BJAE	
O=C(CC1CC=CC1)[C@@H]1CCC[C@H]2CCCC[C@H]21	714391311	UIXBOQUIQRREJI-BZUAXINKSA-N	246.394	4.518	0	10	BJAE	
CC/C=C/[C@H](C)Cc1ccc(SC)cc1	714561587	ZASPGMFATCXTLR-FYJFLYSWSA-N	220.381	4.553	0	10	BJAE	
CC[C@@H]1CCC[C@@H](NCCCCC2CC2)CC1	716358443	NELBBXUYIMUBLE-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC1CCC=CCC1	718054621	XRGNAJLMBSTSTF-PVAVHDDUSA-N	249.442	4.536	0	10	BJAE	
CC(C)=C(C)CCNc1cccc(F)c1Cl	718495666	QKGIGPCVFZXGSI-UHFFFAOYSA-N	241.737	4.637	0	10	BJAE	
CC(C)=C(C)CCNCc1ccc(C(C)C)cc1	718553672	PIWZBOTXEHLTPP-UHFFFAOYSA-N	245.410	4.646	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1CCCCC12CCCC2	718565329	HVUOXYULLFKNJA-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCNC[C@]1(CCC(C)=C(C)C)CC[C@H](C)C1	718749662	UIMRXKUAVLLMAY-HOCLYGCPSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)CC[C@H](O)c1sc(C)cc1C	719449863	SQZCNSMXPPDWHD-LBPRGKRZSA-N	240.412	4.615	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCCCC1CC1	720941179	UZCRHHNONVMXLF-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)C(=O)c1ccccc1C(C)C	721689623	ADEZISQRCRBYFF-UHFFFAOYSA-N	232.367	4.819	0	10	BJAE	
CCNCC1(C[C@H]2CC23CC3)CCCCCCC1	722879912	YEKSIGDULAVUJZ-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC2CC(C)(C)C2)CC1	723543840	AYIPRYZGCGHVGF-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C[C@@](C)(O)CC2CCCCC2)C1	723590997	ZLWQKYBUWHSCFO-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)c1cc(N)ccc1CC1CCCCC1	725410637	INIJJFLQLDTDAR-UHFFFAOYSA-N	245.410	4.689	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](CCC)C(C)(C)C	1560838451	AQDFPKXJZXTFSW-KBPBESRZSA-N	227.436	4.760	0	10	BJAE	
CCCCCCNCc1ccc(C2CCC2)cc1	1655955137	XQZDLEZKIOTXSO-UHFFFAOYSA-N	245.410	4.624	0	10	BJAE	
Cc1ccc(Cl)c(-c2csc(C)c2)c1	1889509643	JUWRHFYBGXIIHD-UHFFFAOYSA-N	222.740	4.685	0	10	BJAE	
CCC(CC)CC[C@H](N)c1csc(C)c1C	1900704168	QBIPYQLWJZFYSV-AWEZNQCLSA-N	239.428	4.581	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1ccc(Cl)cc1F	1901710802	TUJRUJVXEZSOBX-NXEZZACHSA-N	243.753	4.572	0	10	BJAE	
CCC(CC)c1cc(C(F)(F)F)ccc1C	1901880929	HMVBUSSPLYYTND-UHFFFAOYSA-N	230.273	4.917	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CC[C@H](C)CCC1=O	1905346545	MWYMOJPKXDNUJE-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@](N)(CC)C[C@H](CC)CCC	1905364073	QVICIYUTONJNPZ-CABCVRRESA-N	227.436	4.891	0	10	BJAE	
CCCN[C@H](C)[C@@H](CC)C[C@@H](CC)CCC	1905435927	VUUVKPPCBHOFMB-ILXRZTDVSA-N	227.436	4.617	0	10	BJAE	
Cc1ccc(Cl)c(NCC[C@@]23CCC[C@@H]2C3)c1	1908418964	YETFZLRXXXOVOK-IUODEOHRSA-N	249.785	4.641	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC1(N)CCCCCCCC1	1908554000	GFXARGOPKFBRPC-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](CCCC(C)(C)C)NCC	1910617727	LHZBOLAWBRPQJG-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CC=CCC1(CNC(C)(C)C)CCCCCC1	1911826730	ZTYDCWTWSLCBTR-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CCC=CC[C@H](C)c1cc(C)cc(C)c1	1911898325	RQPYQOUCULAHOB-AWEZNQCLSA-N	202.341	4.763	0	10	BJAE	
CCC(C)(CC)C(=O)C1CC2(CCCCC2)C1	1912621388	MNYYHUIYKFKAAH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](C)[C@]1(CNC(C)(C)C)C=CCCC1	1916568071	HAQKBBJVYLUMGW-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC)C[C@@](O)(CC)CCCC	1919522264	HORTXMZBVJWJAF-LSDHHAIUSA-N	228.420	4.924	0	10	BJAE	
CCN[C@@H](CC1CCCC1)[C@H]1CCCC12CCC2	1921613499	PFEWTFCJCMSLPY-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@@H](C)C1CCCC1	1924077660	GLFRICSMZCZGGX-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1cnc([C@@H]2CCCC3(CC3)C2)s1	1936184558	UWKNLCLVUPJFDY-LLVKDONJSA-N	235.396	4.704	0	10	BJAE	
CCC[C@H](C(=O)C[C@@H](C)CC(C)C)C(C)C	1936205708	CWNQKYPCSZIPTJ-KBPBESRZSA-N	226.404	4.700	0	10	BJAE	
CC(C)c1cccc(NCC[Si](C)(C)C)c1	1936252316	RCAIUBSQSAJTTG-UHFFFAOYSA-N	235.447	4.560	0	10	BJAE	
CCCN[C@@H](C[C@H](C)C1CC1)C(C)(CC)CC	1940724047	YYSNTZWCEJSBFD-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)C1CCCCC1	1940803722	XSTGUOUFNCEMJL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC1(C)CC[C@H](CCCCCC2CC2)[C@@H](O)C1	1941573857	UDWBHTPYJDVPKO-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC(C)(C(=O)CCC(C)(C)C2CC2)C1	1941982165	ORZDNAUGFUNVBI-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H](C)NC1(C2CCCCC2)CCC1	1945278513	KWHDMMOTEBHHCL-AWEZNQCLSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C(CC)CC)[C@@H]1CCC(C)(C)C1	1945590513	FRNIYPLDWBJFOO-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
OC1(C[C@@H]2C=CCC2)CCCCCCCCC1	1947882388	YMDIJFGLPMMNDH-OAHLLOKOSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@@H](N)CCC(F)(F)CC)C(C)(C)C	1947989890	DCFNJDYJKPRZKQ-NEPJUHHUSA-N	249.389	4.602	0	10	BJAE	
CCC1(C)CC(C(=O)c2sccc2C2CC2)C1	1948407657	RWIZAEMLGQZZIK-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCSc1ccccc1N[C@H]1CCC12CCC2	1949325278	XCTXOZUEKLKLTM-AWEZNQCLSA-N	247.407	4.543	0	10	BJAE	
CC1(C)CC[C@@H](Oc2cccc3sccc23)C1	1949501666	OKISQRPLWODRRI-LLVKDONJSA-N	246.375	4.859	0	10	BJAE	
Cc1ccc(C(C)C)cc1O[C@H]1CC[C@@H](C)C1	1949502033	RPCTXFKOBZIPQP-DOMZBBRYSA-N	232.367	4.686	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C1CC1)C(C)(C)C	1949831739	RIGCKRDXEQFHDL-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CCCCC1)C[C@H](C)C(C)C	1949918717	ULNBPZKAGHUOPC-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCNCc1sc(C2=CCCCC2)cc1C	1950815701	CVAMMWPVBXLQNP-UHFFFAOYSA-N	249.423	4.514	0	10	BJAE	
Cc1cccc(CN(C)[C@@H](C)CCC(C)C)c1C	1963004581	ABTPNHKKZWTSQD-HNNXBMFYSA-N	247.426	4.560	0	10	BJAE	
CCc1cc(N[C@H]2CC[C@H](C(C)C)C2)ccc1F	1963197786	SNAXJFAZKPONHH-KBPBESRZSA-N	249.373	4.625	0	10	BJAE	
C1=CCCC(CN2CCCC23CCCCC3)CC1	1966290544	UDUFJCQPWUYXAA-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
C[C@H](NC1C[C@H]2CCCC[C@@H]2C1)C1CCCCC1	1967710698	AXOKSRQAAAXMFO-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@H]1CCCC2(CCCC2)C1	1967854865	DDOMUOWKKBGOJF-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(NCC[C@@H]2CCC[C@H](C)C2)cc1F	1968321294	YNSJVMXWFLUWIF-JSGCOSHPSA-N	249.373	4.762	0	10	BJAE	
Cc1cc(NC2CC3(C2)CC(C)(C)C3)ccc1F	1968592765	YDTGLSCVDJHOIS-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CC1CCC(CCN[C@H]2CCCCC23CC3)CC1	1972742402	HMIDZSROEBMVSM-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC1(C)CC(N[C@H](C2CCCC2)C2CCC2)C1	1973589060	FUPACDALCYXRAP-AQFXKWCLSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)C[C@@](O)(CC)C1CCCCC1	1975955480	AURHBTZIOPFZMX-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCC(C)(C)C(=O)c1ccc(C2CC2)s1	1976011519	WWBSBSJFCGYBPN-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CCCC1(C(=O)[C@H](C)CCC(C)C)CCC1	1978429174	XEQRDSKLJBKOHV-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CC(C)CCCCCC[C@H](O)c1cccs1	1980695840	NRBSQFMLSBXGSL-ZDUSSCGKSA-N	240.412	4.778	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)CC(CC)(CC)CC	1990886203	UCARBTOVHAVTON-KBPBESRZSA-N	227.436	4.569	0	10	BJAE	
CCC/C=C/CN[C@H]1CCCC[C@H]1C(C)(C)C	1995868298	XLYHASAKYSJSAY-AEOIHIIDSA-N	237.431	4.537	0	10	BJAE	
CCCCCN[C@H]1CCCC2(CCCCC2)C1	1996646698	FSEIMFWYGFHYNK-HNNXBMFYSA-N	237.431	4.659	0	10	BJAE	
CC(C)CCCCCN[C@]1(C)CCCC1(C)C	1997355076	ZMBNSPYNUQFRAP-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC1(C)C[C@@]1(C)C(=O)C[C@H]1CCC=CCCC1	1999980387	BSCGPOJTKNMHKB-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@](CC)(CNC(C)C)C[C@H]1C[C@@H]1C	2000506172	YTPSYAPQUFDNOV-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CCCCCF)CNCC(C)C	2000518823	SNPMSRFOCVZHST-HNNXBMFYSA-N	245.426	4.568	0	10	BJAE	
CCC(CC)(CC)[C@H](N)C[C@@H]1CC12CCCC2	2001214926	GPQYHABOTSLLNT-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21	2001495579	XMABVOYCSFQTNZ-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CCCC2(C)CC2)C1	2002973374	GCSHGUBMUCGTTL-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC(F)(F)C(C)(C)C[C@H]1CCCCCCC1=O	2003116519	JFWLHKJUYGQDKP-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@]2(C)C=CCCC2)C1	2003319723	BYAYZZAUUBKXAN-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
CCCNC[C@]1(CCC)CCCCC12CCC2	2005563408	KGOJDKWTZPXELE-INIZCTEOSA-N	237.431	4.517	0	10	BJAE	
CCC[C@@H](C)[C@H](NC)C1(C)CCC(C)(C)CC1	2007690200	AFLRLWZJDUTGTI-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC1CC(C[C@](O)(CC)C2CCCCC2)C1	2007755816	BZXVILBNORFKAQ-ZBCRRDGASA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)CC[C@H](NCCC)C(F)F	2008313371	FSJUDFAWXXKLPZ-OLZOCXBDSA-N	249.389	4.616	0	10	BJAE	
CCC1CCC(C2(O)CC(CC)(CC)C2)CC1	2009298927	LUCAVTLAGYCTKT-UHFFFAOYSA-N	238.415	4.534	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CCC(C)(C)C1	2009612548	XEKCJQQOYSIWAA-CJKAQPIMSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@]1(CNCC)CCC[C@H](C)C1	2009617827	WRDRRTUAWNPNTR-HOTGVXAUSA-N	237.431	4.539	0	10	BJAE	
CCC[C@](O)(C1=CC[C@@H](CC)CC1)C(C)(C)C	2010711995	FUBNQROEMVNYAK-CJNGLKHVSA-N	238.415	4.700	0	10	BJAE	
CC[C@](CN)(CC1CCC(C)(C)CC1)C(C)C	2012431544	ATALIXHTNDCYRB-MRXNPFEDSA-N	239.447	4.604	0	10	BJAE	
CC[C@](CCC1CC1)(CNC(C)(C)C)C(C)C	2012437125	SYFBVVVIXISGSM-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1[C@@H](C)CCC[C@H]1C	2013322856	RDDVEHSCMWYOCW-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
CCC[C@@H](NCC)c1sc2ccccc2c1C	2014294545	XLVVXUUPZCFSNA-CYBMUJFWSA-N	247.407	4.660	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@H]2CCC2(C)C)c(C)c1	2014904539	WDXBZHKZGRGNPO-ZIAGYGMSSA-N	231.383	4.540	0	10	BJAE	
CCC1(C[C@@]2(O)CCCC[C@@H]2C(C)C)CCC1	2015596469	RJEGKEJFJSYXIK-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
C1CCCC(N2CCC23CCCCCC3)CC1	2016131564	AOYNMNLYVWRCDY-UHFFFAOYSA-N	235.415	4.508	0	10	BJAE	
CCCC(CCC)[C@H](C[C@@]1(C)C[C@H]1C)NCC	2016385635	GLVDUXXMPZTUDH-VNQPRFMTSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@]2(C)C[C@H]2C)CC1	2016456430	WWAUIESJUSGVIR-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@H]1C[C@@H]1CC	2016853343	ZFKJCFQRJILVKP-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
CCCC1(CNC2(C(C)(C)C)CCC2)CCC1	2017094428	XHXCOUQFOVJEHA-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@](C)(O)CC1(C(C)C)CCC1	2017115764	BFYBXXQOEIZLQW-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CC1(C)CCC[C@@](C)(NCCCC2(C)CC2)C1	2017615370	BVDTYAFSSNMBOJ-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](N)C[C@H]1CC[C@H](CC)CC1	2017729161	SYHIOUFLNFNXRH-KKUMJFAQSA-N	239.447	4.747	0	10	BJAE	
CCC1CCC(C[C@@]2(N)CC[C@H](CC)C2)CC1	2017732310	ZYVQYKSYCRAXTL-BHDPWAOGSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@@H]1CCC(C)(C)C1	2018130207	MZYNBLVUHURGQO-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC)N(C)CCC(F)(F)CC	2018184307	GSJOVLHQTXHBQT-CYBMUJFWSA-N	249.389	4.713	0	10	BJAE	
CCCN[C@H](CCC1(CCC)CC1)C(C)(C)C	2018987526	LMFBDUWZOMAPPB-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@@H](CCC2CCC2)NCC)CC1	2018999462	KLKJIDRDIBQGFZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H](N2CCCC2(CC)CC)C1	2019186142	KVGBEHAPCIYASZ-LSDHHAIUSA-N	237.431	4.610	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)C[C@H]1C[C@](C)(F)C1	2021393749	VVBAQZPCINNZCR-YDHLFZDLSA-N	242.378	4.546	0	10	BJAE	
CCC[C@H]1C[C@H]1C[C@@H](N)[C@H](CCC)CC(C)C	2022482892	GLMWGUWBOTWVOK-XUWVNRHRSA-N	239.447	4.602	0	10	BJAE	
CCCNC[C@H](CCC)CCCCC(C)(F)F	2023287533	JRXAYBBOLFTMJS-CYBMUJFWSA-N	249.389	4.618	0	10	BJAE	
CCN[C@@H](CCCCC(C)(F)F)CC(C)(C)C	2023296000	QDQSEZJBFKKUAH-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCC1CC(CCNCCCCCC(C)C)C1	2025370903	LQYUDMJUGWFDPZ-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](O)C1CC(C(C)C)C1	2026163772	NBXISEHQASKDFC-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
c1sc(C2(CC3CCC3)CC2)nc1C1CCC1	2026538259	NZBRUOSZYUIBPB-UHFFFAOYSA-N	247.407	4.632	0	10	BJAE	
C[C@@H]1CC(C(=O)CCC2=CCCCC2)C[C@@H](C)C1	2030225295	COUWKNOWPMTAMZ-KBPBESRZSA-N	248.410	4.908	0	10	BJAE	
CCCCc1ccc([C@H](O)C(C)(C)C(C)C)cc1	2032270882	DFZGIUAYPQRYHF-INIZCTEOSA-N	248.410	4.745	0	10	BJAE	
CC(C)C(C)(C)C(=O)c1cccc2ccccc12	2032307862	YFQQAELMZQQZBC-UHFFFAOYSA-N	240.346	4.705	0	10	BJAE	
CCc1cccc(CC)c1NC[C@H]1CCC[C@H]1C	2032514588	NOWDYACGFJTFNN-CZUORRHYSA-N	245.410	4.660	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@H]1CC12CCCC2	2036096557	LQQDHRFVXLIRPK-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CC[C@]1(N)CC(C)(C)CC2(CC2)C1	2037170886	VXZUJPYLOMNWGV-KRWDZBQOSA-N	249.442	4.811	0	10	BJAE	
CC(C)CNCCC=C[C@@H]1CCC2(CCCC2)C1	2037695311	RHUVERHTMIFBOJ-MRXNPFEDSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC2CC=CC2)CCC1(C)C	2037873003	YQVAYMLEKJLOHD-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCc1cccc(C)c1NC[C@H]1CC12CCCC2	2039092082	NAGRMUAIZAYJGX-OAHLLOKOSA-N	243.394	4.550	0	10	BJAE	
CNC[C@@]1([C@@H]2C=CCCC2)CCCC(C)(C)CC1	2039384463	IETOCLWUKRWNCF-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)CC2C[C@@H]3C[C@H]3C2)CC1	2039386187	PYQOXJSCNKBIPM-RRFJBIMHSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(N[C@H](C)C2(C)CCCCC2)c(F)c1	2039861979	JXMNTPMOKZRBLT-CYBMUJFWSA-N	249.373	4.905	0	10	BJAE	
Cc1cc(F)cc(N[C@@H](C)C23CCC(CC2)C3)c1	2039864012	FTCZELQJXKCOMR-FUJMWEONSA-N	247.357	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)c2ccc(C)cc2)CC1	2041383066	LFVUTLGTNBVMSP-INMHGKMJSA-N	246.394	4.635	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@@H](NCC2(C)CC=CC2)C1	2042077061	XEJBZEZIEKVINF-JKSUJKDBSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)[C@H]1C=CCCC1	2043190120	GXPUBALNOHDSRA-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H](NC[C@@H]1CCC=CCCC1)C1CCC1	2045316129	AWYHMTIXLWYQCT-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](C(=O)CC2(C)CCCCC2)C1	2045559389	XIFZAZRZHKTBQH-UKRRQHHQSA-N	248.410	4.908	0	10	BJAE	
CCN(CCC[C@@H]1CC1(C)C)c1ccccc1C	2046568760	PLMWZDIAQDDCCA-OAHLLOKOSA-N	245.410	4.648	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C[C@H]2[C@H]3CCCC[C@H]32)CC1	2048468324	DUVNMBMIHQABIZ-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
C[C@H](NC[C@H]1CC=CCC1)[C@H]1CCCC(C)(C)C1	2049527666	DNDQDHKTLSHGHC-JYJNAYRXSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCC[C@H]([C@](C)(N)CC2CCC=CCC2)C1	2049528962	MVLCRGWRHRLTMT-BHYGNILZSA-N	249.442	4.667	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@H]1CC12CCCC2	2049642283	SHHOCOCCMSXYFW-GJZGRUSLSA-N	248.410	4.886	0	10	BJAE	
C[C@H](CC1CCC2(CC1)CC2)C1CCC(N)CC1	2049849832	SYXQQRADKRCQMQ-IUDNXUCKSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CC1CCC2(CC1)CC2)CC1(C)CC1	2049867668	WPRKNRUAVLPGLN-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC(C)=C(C)C)c1ccc(C)cc1	2050426887	QOOMZJHZVXDNKK-QGZVFWFLSA-N	245.410	4.782	0	10	BJAE	
CN[C@H](CC[C@@H](C)CC(C)C)c1ccccc1C	2050461158	QWSVTEJIEXDYGR-RHSMWYFYSA-N	247.426	4.718	0	10	BJAE	
N[C@@H](C1=CCCCCCC1)[C@@H]1CCCCC12CC2	2053407398	NRISDLPYLUEPMP-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(CN)CCCCC12CC2	2053410159	IZJRHOLBUHPHKE-HLLBOEOZSA-N	249.442	4.502	0	10	BJAE	
CN(CCCC1CCC1)[C@H]1CCCCC12CCC2	2053430289	PFTYAOKYCOGFIE-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CC1(C)CCC(CN[C@@H]2C=CCCC2(C)C)CC1	2055532322	MZVLBRAFLWEEAR-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C=C1CCCC1)[C@]1(C)C=CCCC1	2056876346	PMWHWKNFQBMATA-IAGOWNOFSA-N	247.426	4.601	0	10	BJAE	
NC1(C=C2CCCCC2)C[C@@H]2CCCCC[C@H]2C1	2056913157	ZCPFVMWVTGXCLI-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
C/C=C/CCC[C@H]1CCCCC[C@@H]1CNC1CC1	2059247400	PUGZSPWPXSBFJJ-TWTBHFKPSA-N	249.442	4.681	0	10	BJAE	
CCC1=CCC[C@@]1(O)C1=CC[C@H](C(C)(C)C)CC1	2061082250	UOXZBIWPKFGFDY-YOEHRIQHSA-N	248.410	4.620	0	10	BJAE	
CC[C@H]1CC=C([C@]2(O)CCCC3(CCC3)C2)CC1	2061085631	SGKGGDSYYAZGEX-YOEHRIQHSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@@]23CCC[C@H]2C3)CC1	2061600949	DDZOKYQNACEWAZ-YOEHRIQHSA-N	248.410	4.742	0	10	BJAE	
O[C@@H](CCC1CCCCC1)CC1CC(=C2CC2)C1	2061684052	AHVUNLFZLOCKKF-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C=CCC2(CCC2)C1	2063650474	UKVPLHUDVVZZJL-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CCCC1(C(=O)CC23CCC(CC2)CC3)CCC1	2065276437	DGZGDZYQDCIXNL-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC[C@](N)(CC12CCC(CC1)CC2)C1CCCC1	2065336424	AWBJPJOEXASUMR-PREGVCBESA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1CC[C@H](CC23CCC(CC2)CC3)C1	2065339102	KASNVVPWXRTRRM-VUROTCPHSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1C[C@@](N)(CC23CCC(CC2)CC3)CC[C@H]1C	2065339366	LRIPZZQCRYXXOC-RNONSGAXSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(Nc2cccc(C(C)C)n2)CC1	2066346653	JFEXYWXDJCKJTG-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
CC1(C)CC[C@@H]1[C@](C)(N)CC12CCC(CC1)CC2	2068274349	UWPRIASHGMTZBW-OBKBAYEDSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1[C@H](C[C@@H](C)C(C)C)NC	2068842301	PETQZQYLKIYJMZ-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CCN[C@H](c1ccccc1)[C@@H](C)C[C@@H](C)C(C)C	2069008076	DYWOUPZHHIPOGA-VYDXJSESSA-N	247.426	4.656	0	10	BJAE	
CCCC1(CC(=O)C2CCC3(CC2)CC3)CCC1	2069283487	DRENYPUPHZNAQS-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC[C@@H](N[C@H](C)CCC=C(C)C)c1ccccc1	2070397548	IHSLFRBNFRNBRU-NVXWUHKLSA-N	245.410	4.862	0	10	BJAE	
CC(C)=CCC[C@@H](C)NC[C@H]1C[C@@H]2CCC[C@@H]2C1	2070400941	ZRXOESWANLWNNC-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](N[C@H](C)C2CC=CC2)C1	2070819884	JJFGHWWMHJSWSR-VYDXJSESSA-N	249.442	4.536	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@H]2CC[C@H](C)CC2)c(C)c1	2072669932	SQDKBLNNENIFLS-NUTKFTJISA-N	246.394	4.553	0	10	BJAE	
CCC[C@H]1CC[C@H](CNC[C@@H]2CC=CCC2)CC1	2072682171	RPGJINIPLVRSMI-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
C1=C[C@@H](N2CCCCC23CCCC3)CCCCC1	2074810824	RRWZUNDDBRCVNO-MRXNPFEDSA-N	247.426	4.674	0	10	BJAE	
CCCCN(CCCc1ccccc1)[C@@H](C)CC	2074921702	JGBVPZMSPPBLOI-INIZCTEOSA-N	247.426	4.520	0	10	BJAE	
C[C@@H]1CCCCCCN1[C@H]1CCC12CCCCC2	2075012105	GCBHBWWKZOQEGL-CVEARBPZSA-N	249.442	4.754	0	10	BJAE	
CN(CC1(C(C)(C)C)CCC1)[C@H]1C=CCCCC1	2075407546	JHHFTAZIJQIDMI-HNNXBMFYSA-N	249.442	4.633	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)C1CC1)c1ccccc1	2075815377	VGGRTTSIJVODPL-YOEHRIQHSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@H]1Nc1ccccc1C1CC1	2077262853	YQPBYEZBCVHJPJ-BLLLJJGKSA-N	243.394	4.801	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](N)C1CC2(CCCCC2)C1	2079632747	JMAGACFMDZJAFB-IJEWVQPXSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@@](C)(N)CCCC(C)(C)C	2081206045	IFJYBSZHSDFHPU-KRWDZBQOSA-N	247.426	4.639	0	10	BJAE	
CC(C)C(C)(C)[C@@H](N)c1cccc(C(C)(C)C)c1	2083554822	JZZKOTKWHGGCAJ-HNNXBMFYSA-N	247.426	4.666	0	10	BJAE	
CCCC1CCC(N[C@@H]2C[C@H]3CCC[C@H]2C3)CC1	2086158906	URVKXWXHMBUQRF-LAYQYYCJSA-N	249.442	4.514	0	10	BJAE	
C(=Cc1ccccc1)C[C@@H]1C[C@H]2CC[C@H]1C2	2210662160	KEYTZPFQDYLKPO-OAGGEKHMSA-N	212.336	4.526	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C(C)(C)CCC	2212116260	FWNNRVPKRFBROL-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCC(CCC)N[C@H]1C[C@H](CC(C)(C)C)C1	2213116958	DCBPYDNLLVTLNR-CTYIDZIISA-N	239.447	4.760	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)C2CCCCC2)C1	2214781622	YJNVQFBPWDJCME-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)NC[C@H](CCCC(C)C)CC(C)C	2217124914	LHIFYDIHWIBYOC-JKSUJKDBSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218345343	DOMVXSYBIXLOLB-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1C(=O)CCCCC1CC1	2220010703	AEPWEUQSDQCPDK-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCCC1CCC(C=C2C[C@@H](C)CN[C@@H]2C)CC1	2220374088	CHXZZALLABCTGT-WXLSXGNJSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@]1(N)CC[C@H]2CCCC[C@H]2C1	2220874572	IGNVJHYKQSNNDX-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC[C@@H]1C[C@@H]1CC)[C@]1(C)C=CCC1	2220874896	IUQRPGPWWSGXSH-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CCCCN(CC[C@H]1C[C@@H]1CC)c1ccccc1	2220985797	ODQXCFYGONOYPI-HOTGVXAUSA-N	245.410	4.729	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](N)CC2(C)CC3(CCC3)C2)C1	2221015146	VKVWHNWFUDXQEQ-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
C1CCN[C@H](C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	2222933292	KVUQIXQROLROKW-NCOADZHNSA-N	249.442	4.515	0	10	BJAE	
N[C@]1(CCCCCCCC2CC2)C[C@@H]2CCC[C@@H]21	2223154387	JFPKPCOGHNIJOU-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
C(CCCN[C@H]1C[C@H]1C1CCC1)CCCC1CC1	2223157483	DUFCCGQWZDNTMC-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](C)NC[C@]1([C@H]2CCC[C@@H]2C)CC=CCC1	2223550840	NYPMVXNTHQJZAU-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@](C)(N)CCCCC[C@@H]1C[C@H]1C	2243907599	JDRDGJLKLIKMJL-KFWWJZLASA-N	225.420	4.501	0	10	BJAE	
CCC(C)(C)C(=O)CC[C@H]1CCCCC12CC2	2246608261	YICCCUFFJNUNNU-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)C[C@@H](C)C2CC2)C1	2246663928	NUULHQRGLPVVQU-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CCNCC(C)(C)CCC[C@@H]1CCC[C@H](C)C1	2246666962	WXEKTMILBFUDAM-GJZGRUSLSA-N	239.447	4.619	0	10	BJAE	
CCNCC(C)(C)CCC[C@H]1CCC[C@H](C)C1	2246666964	WXEKTMILBFUDAM-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H]2C=CCCC2)C1	2246667307	XXQQJDYSPFLRDR-ILXRZTDVSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)CCCC1CC1	2248845839	QZWNKHVNERQQAZ-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@](O)(CCCCC[C@@H]1C[C@@H]1C)C(C)(C)C	2248869784	JXYWBEUDCONMGM-LZWOXQAQSA-N	240.431	4.780	0	10	BJAE	
C[C@H](Nc1cc(C2CC2)ccc1F)C(C)(C)C	2250115520	LQLQNEWXVFSRLL-JTQLQIEISA-N	235.346	4.550	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@H]1CC12CCCCC2	2250353676	XAPBOLQZEWGFDC-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)[C@H]1CC[C@@H]1C	2250522325	GPAOJVNTSNIFLQ-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@H](CCC)NC[C@@]12CCC[C@H]1CC2	2251167705	QQLVORAQLKSLHR-JYJNAYRXSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@@H](C)[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251710774	DCSNEZALNMIICR-CHWSQXEVSA-N	238.415	4.700	0	10	BJAE	
CC[C@@](N)(c1ccc2ccsc2c1)C(C)(C)C	2253066040	UIMZKBYOKWKSLH-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H](N)C2(C3CCC3)CC2)C1	2254000369	DJZRHMWGVDJOMA-YCPHGPKFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@](C)(CNC1CC1)C[C@@H]1CCC12CCC2	2254821826	MKSZLBUIRXXFCE-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H](N)C[C@@H]1CCCCC12CC2	2255014191	PQSCQODLMAVMDJ-QLFBSQMISA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C=C1[C@H]2CCC[C@@H]1C[C@@H](N)C2)CC(C)(C)C	2258030443	YCOYLAWCMHCAOC-XQLPTFJDSA-N	249.442	4.523	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1cc2cccc(C)c2o1	2259476364	ATTCVXYTZDGGKW-SWLSCSKDSA-N	245.366	4.567	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)C[C@]12CCCC[C@@H]1CC2	2260581231	DAZNQFRPKFZSIP-PNBKFKSVSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@]12CCCC[C@H]1CC2)[C@H]1CC[C@@H](N)CC1	2260589272	XGPSMYBQAUQOOK-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CC(=O)CC(C)(C)Cc1cccc(C(C)(C)C)c1	2261406134	NLDHPARILKZAFP-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CC[C@@H]1C[C@@H]1C)NC	2298127331	WNMUCOZDXGREBI-JONQDZQNSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCC1)[C@@H]1CCCCCCC[C@@H]1O	2298916727	OSBULHYWXJAUFU-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H](C)C1CC1	2300455791	KQPITZUIKJNXAE-CYBMUJFWSA-N	231.383	4.576	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCCC[C@@H]1C[C@@H]1C	2300478581	QHFJIQXKLAWUCE-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CCCc1ccc(-c2ccc(N)c(C)c2C)s1	2300641195	UGMRERCFJSXXCR-UHFFFAOYSA-N	245.391	4.567	0	10	BJAE	
CCC(CC)CC[C@@H](N)CC1CC2(CCC2)C1	2300686283	OSCORSVELKPUGD-OAHLLOKOSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCC(C)(C)C[C@H]1C	2300690049	FATGMVALPILFHH-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@H](CN[C@@H](C)CC)C(C)C	2300699859	IRBAKGKCACHJLI-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CCc1ccccc1C(=O)CCC(CC)CC	2300704583	TUYGSJNZNGHBSR-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CC(=CC[C@H]1CC[C@H](C)C1=O)CCCC(C)C	2300892659	GWYDHCLGIVWQFZ-GJZGRUSLSA-N	236.399	4.764	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](O)CC1CCCCCC1	2301136004	RQAUIOZDGMMQPM-CVEARBPZSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@H](CC)[C@@H](C)CC1CCCCCC1	2301240818	DGLZRZYSFRUVEY-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C)c1ccc(C)c(C(CC)CC)c1	2302235370	FZOLYEALHOOQLB-CYBMUJFWSA-N	233.399	4.569	0	10	BJAE	
CC1([C@](C)(N)CCCC2=CCCCC2)CCC1	2302323555	PNOZAGZKLLISMI-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC[C@@](N)(CCCC1=CCCCC1)C(C)(C)C	2302331469	MEIFWPZEKFYIAV-MRXNPFEDSA-N	237.431	4.811	0	10	BJAE	
CC[C@H]1CC[C@H](CCC2(N)CCCCC2)CC1	2302566944	ZCGGJBXGFVUEAK-SHTZXODSSA-N	237.431	4.645	0	10	BJAE	
CCc1cc(F)cc(N[C@H](C)CCC(C)C)c1	2304012814	VOJBEUSILRIAHP-GFCCVEGCSA-N	237.362	4.625	0	10	BJAE	
C[C@@H]1CC[C@H](c2nc(C3CC4(CC4)C3)cs2)C1	2304404588	BRQLBOVDBIHEEJ-MNOVXSKESA-N	247.407	4.704	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](O)CCC2CCC2)C1	2304431858	OYOOPSYTLZVKEW-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCC1CC(CN(C)C[C@@H](CC)CCC)C1	2307746752	IIONDYWJFFXTFW-FHERZECASA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](CC)CC[C@@H](N)CC1CCCCC1	2307901799	ZOHFRLQAEOWBHZ-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCCCCC[C@H]1O	2307909559	UXTMOJYZIAQIDV-ARFHVFGLSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H](CCCCCC1CC1)[C@@]12CC[C@@H]1C2	2308555518	MNLDGTIIXMNDFQ-IXDOHACOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(NC[C@@H]2C[C@@H]3CC[C@H]2C3)c1	2312931902	GPWSPPTVCWOHFB-KBMXLJTQSA-N	243.394	4.658	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313162076	MRIUWMCLXSNMCB-QSJFSLAZSA-N	246.394	4.518	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	2313203974	KNTPIVMCNJZZGN-YJNKXOJESA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2cc(F)ccc2C(C)C)C1	2317914235	ABOIGVWTUQUQML-GXTWGEPZSA-N	249.373	4.940	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@H]1CCC(C)(C)C1	2317916394	YQZKPKDNWJVNDX-ZDUSSCGKSA-N	249.373	4.940	0	10	BJAE	
C[C@H]1[C@@H](Nc2ccc3ccccc3c2)CC1(C)C	2318177749	UCJCLPDVNYVUSF-LRDDRELGSA-N	239.362	4.686	0	10	BJAE	
CCN[C@H](CCCC1=CCCCC1)CCC1CC1	2318583184	MJGMVULBHMVSOJ-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)CCCCC12CC2	2318591845	CIOWULNBHHIVPO-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
CC1(C)CCC(N)(CCCC2=CCCCC2)CC1	2318595989	VBACZQPATLPCCD-UHFFFAOYSA-N	249.442	4.955	0	10	BJAE	
CCCCC1CC(NC[C@H]2CCC(C)=C(C)C2)C1	2320231527	NJJKYRDKCJULMZ-CGZBRXJRSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(F)ccc1NC[C@@H]1CC[C@H]1C(C)(C)C	2320239274	CICHLPQUIAUMLW-GXTWGEPZSA-N	249.373	4.618	0	10	BJAE	
CCc1ccccc1NC[C@H]1CC[C@H]1C(C)(C)C	2320319373	FYTQBNDLPLSVPY-HUUCEWRRSA-N	245.410	4.733	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CCC3(CCC3)NC2)C1	2321630409	HCMISDFISQGFBA-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](c1cc(C)ccc1C(C)C)[C@H](C)C(C)C	2327786516	KRGQGGCADZAGIF-RHSMWYFYSA-N	247.426	4.671	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)C[C@H](C)c2ccccc21	2328210066	OBOSKNMGGFFCMH-ZQIUZPCESA-N	246.394	4.598	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H]1C[C@H](C)CC(C)(C)C1	36662980	JGPJPGITHDMVJO-KKUMJFAQSA-N	239.447	4.616	0	10	BJAE	
CCc1ccc([C@@H](CC)N[C@H](C)CC(C)C)cc1	37260287	QPXIMTJTNXMGOC-RHSMWYFYSA-N	247.426	4.724	0	10	BJAE	
CC[C@@H]1CCCCCCCCc2cc1c[nH]2	38236258	TYLZWBLMUCADIX-CYBMUJFWSA-N	219.372	4.795	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccccc1OCCC	69372505	PGKQEWHWKUZPFY-CQSZACIVSA-N	249.398	4.856	0	10	BJAE	
Cc1cccc(COc2ccc(C(C)C)cc2)c1	70238259	UTRLWDSCBKQTNB-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2ccccc2SC)C1	71109576	HASHHUVYPWAEFA-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
CCN[C@@H](CCC1CCC(CC)CC1)C(C)C	85082951	OFBPKTCUIDOCBW-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@H]2CCC[C@H](C)CC2)c1C	86879247	JGYIGQXJANXPAU-WFASDCNBSA-N	231.383	4.684	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CCCC1(C)C	94304873	LYCOZMSNGGGKHR-OAHLLOKOSA-N	245.410	4.975	0	10	BJAE	
CC[C@H]1CCC[C@@H](N[C@@H]2CCCC2(C)C)CC1	94322512	CWXCXTJLRZTUAR-RRFJBIMHSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](C)NCc1cccc(C2CC2)c1	94518356	PRNGNXRNEIDSFS-AWEZNQCLSA-N	245.410	4.622	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H](C)[C@@H]1C[C@H]2C=C[C@H]1C2	102899144	KRWNTAPAEYSNFI-WOYTXXSLSA-N	249.442	4.536	0	10	BJAE	
CCc1ccc([C@@H](CC)NCCCC(C)C)cc1	109920903	KEFXVXINRVLMJI-QGZVFWFLSA-N	247.426	4.726	0	10	BJAE	
CCCC[C@@H](N[C@H](C)[C@@H](C)CC)c1ccccc1	109927547	QYJCBYWAGPAUQX-ZMSDIMECSA-N	247.426	4.942	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1cc(C)ccc1C	124641307	UBRYLKANEJTTEJ-DOTOQJQBSA-N	247.426	4.910	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)CC1CCCCC1	125893175	LXBMBRZILMHSMY-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCN[C@@H](c1ccc(CC)c(CC)c1)[C@H](C)CC	128018906	UIXPRBJXIBYBCC-CXAGYDPISA-N	247.426	4.508	0	10	BJAE	
CC(C)C[C@H](N)CC1CCC(C(C)(C)C)CC1	130069116	SUAHCAQDAKFDFH-NRXISQOPSA-N	239.447	4.602	0	10	BJAE	
CC(C)c1csc(C2CCCCCC2)n1	131954452	HMZMUCHZTYYHPX-UHFFFAOYSA-N	223.385	4.704	0	10	BJAE	
CCC(CC)[C@H](NC)c1ccccc1C1CCC1	132642313	JNQBGRLCNXPEIR-KRWDZBQOSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](C)CC(=O)c1ccc(Cl)c(Cl)c1	133071144	SBOOYFJYRBGSNN-QMMMGPOBSA-N	245.149	4.612	0	10	BJAE	
Cc1cc(Cl)cc2sc(C(C)(C)C)nc12	146055130	BSHNBRACBOAINT-UHFFFAOYSA-N	239.771	4.556	0	10	BJAE	
CCCCCOc1cc(C(C)C)ccc1C	148867462	STQYLCRTCOFJGB-UHFFFAOYSA-N	220.356	4.687	0	10	BJAE	
CC[C@@H]1CC[C@@H](N[C@H](c2ccccc2)C(C)C)C1	227191107	HELZTMIRWQTEAE-OIISXLGYSA-N	245.410	4.552	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cc2ccccc2s1	229269902	VRNNEZZCAUMREC-AAEUAGOBSA-N	248.391	4.761	0	10	BJAE	
CC(C)(C)C(=O)CCc1cccc(C2CCC2)c1	229634021	JDUKCQRWIAUBEF-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@@H](C(C)C)C2)c1	230985023	HHPXMGMWIFTYGA-GDBMZVCRSA-N	231.383	4.622	0	10	BJAE	
CCC(C)(C)c1ccc([C@H](N)CC2CCC2)cc1	232158285	AXADMFRMBCGXMR-MRXNPFEDSA-N	245.410	4.564	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)[C@H](C)CCC	232988322	ORRPILADHFHICM-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@H]1NC1CCCCCCC1	235574205	TVBHIKQIEIYMLQ-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CS[C@H](C)C2)cc1	251311059	DOVRFPIUUHGCFK-ZOWXZIJZSA-N	249.423	4.506	0	10	BJAE	
CC(C)c1ccc([C@H](C)O)cc1-c1ccccc1	258210622	CUNHPWZCPPYFDC-ZDUSSCGKSA-N	240.346	4.530	0	10	BJAE	
CC(C)NC[C@](C)(CCCC(C)(C)C)C(C)C	302343530	VJSJVLKHRRTHNE-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc(N)c(S[C@H]2/C=C/CCCCC2)c1	305916381	AXSZKBUWYSWSFB-IYNGYCSASA-N	247.407	4.558	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CC1(C)CCCC1	308031630	OSJLBVRFKKXHIP-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CCCN[C@H](C1CCC1)[C@@H](CCC)CC(C)C	308058296	SAPBCRXLUNQRKC-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CC1(C)CCC1)NC	308059854	TYYXBQBQFVCZAF-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)c(OC[C@H]2CCC[C@H](C)C2)c1	310151935	PHVNETHGSPKZJP-WFASDCNBSA-N	232.367	4.509	0	10	BJAE	
CCCCC[C@@H](C)NC[C@@H](C)C1CCCCC1	310239887	IIUNBTFXSJBHOP-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C[C@H](N)C1(C)CCCC1)C1CCCCC1	310477205	KNHSCTYTGYXHMT-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
CNC[C@H](CCCCC(C)(C)C)c1ccccc1	310581324	VEEHYODGUONRKS-INIZCTEOSA-N	247.426	4.596	0	10	BJAE	
Cc1cccc([C@H](N)CC2CCC(C)CC2)c1C	311057955	YKVPDGATWLMHFX-MWHAMWOXSA-N	245.410	4.520	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@](C)(CC)CNC(C)C)C1	317529479	UIECZUBTDVKSRR-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC[C@](C)(C/C=C/c1ccccc1)CNC(C)C	317547367	XPNVXEOWPRRMJD-XLNAKTSKSA-N	245.410	4.504	0	10	BJAE	
CCCC[C@H](C)[C@H](NCCC)[C@@H](C)[C@H](C)CC	319547788	NIBJEVAXINFPKI-UGUYLWEFSA-N	241.463	4.863	0	10	BJAE	
O=C(CCC/C=C/c1ccccc1)C1CCCC1	322938786	PADBSGSKFSDVTJ-VZUCSPMQSA-N	242.362	4.629	0	10	BJAE	
CC(C)(C)[C@H](O)CCCC/C=C\c1ccccc1	324081349	ZFJVDMZKGBOKQU-MRDWYFFCSA-N	246.394	4.667	0	10	BJAE	
CC(C)c1cnc(C(C(C)C)C(C)C)s1	379776876	FGKMJEUAEMNHTE-UHFFFAOYSA-N	225.401	4.662	0	10	BJAE	
CCC1CCC(CN[C@H]2C=CCCCCC2)CC1	380819316	WYRAOUVKKATFFQ-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H](C)/C=C(/CNC1CC1)C1CCCCC1	381307888	LEKBQBORGDCNBG-HNDQUVLASA-N	249.442	4.537	0	10	BJAE	
CC(C)CCCCCNC[C@@H]1CCCC[C@H]1C	383222481	FUCCFWCZMTWKFY-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCCCC[C@]1(N)CC[C@@H](C)C[C@@H]1C	383276687	ZVTOTBOREQCMIH-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@](N)(CC)CCCCCC(C)C	383282706	PKZMGZQDVJKNFT-OAHLLOKOSA-N	227.436	4.891	0	10	BJAE	
CCCC[C@@H](CCC1=CCCCC1)NC(C)C	384875422	RZMAAQDMTZFMCX-INIZCTEOSA-N	237.431	4.824	0	10	BJAE	
CCCC(=O)c1ccc2c(c1)oc1ccccc12	385153407	ZOIPMBHUFSAXPR-UHFFFAOYSA-N	238.286	4.569	0	10	BJAE	
CC(C)CCCCC[C@H](N)C1(C)CCCCC1	394864357	OCLLUTMLOGLUGR-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CC[C@H](N[C@H]1CCCC12CCC2)C1CCCCC1	394869585	RKUWIZIAXLDDRG-HOTGVXAUSA-N	249.442	4.658	0	10	BJAE	
CCC1(CNCCCC2CCCCC2)CCC1	395130510	FLNBULWTWIWDQB-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCC(CC)(CC)CNC1(CC)CCCC1	395158574	IEDXYQWAPDHKPS-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCc1c(C)cc(C(F)F)c2ccsc12	396195825	FVEZADQIIVVJGM-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1cc2c(C)ccc(C(F)F)c2s1	396205982	YZRRNLVDNRRQMV-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CCc1ccc2c(F)csc2c1C(F)F	396216818	PIMCJMYBKYRQOI-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCc1ccc2sc(C)cc2c1C(F)F	396219774	KWBJGAXBGYAVSC-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)CCC1CCC1	398901905	IDBFBMZEFQFMAZ-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC1=CCCC1)[C@H]1CCCCC1(C)C	401035555	OIXSZADQLMMLKO-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
N[C@H](CCCC1CC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	405755089	HEHWASGSPRGKGW-YLFCFFPRSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc([C@H]2Cc3ccccc3N2)c1	688911165	BOBXCNXMUHODJM-QGZVFWFLSA-N	237.346	4.519	0	10	BJAE	
CC(C)c1cccc(-c2cccc(N)c2Cl)c1	688971413	OPPHSAHDFMSZRH-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CSC(C)(C)CCNc1cccc(C2CC2)c1	690092172	FSJBZHQPFPLRFM-UHFFFAOYSA-N	249.423	4.508	0	10	BJAE	
CC[C@H](C)CCNc1cc(C)c(Cl)c(C)c1	690247419	LMZPPTFLVBUXKZ-JTQLQIEISA-N	239.790	4.805	0	10	BJAE	
CC1CC(CN[C@@H](C)c2ccc(C(C)C)cc2)C1	691892934	QJAPDQNVANVLSF-SLTAFYQDSA-N	245.410	4.507	0	10	BJAE	
CSc1ccc(N[C@@H]2CCC23CCCC3)cc1	694406726	ZPHLHCHTCUNFMZ-CQSZACIVSA-N	247.407	4.543	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@@H]1CCC[C@H](C)CC1	695056753	XMWKJAHWDUOSHC-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC[C@@H]2C2CC2)cc1F	696104667	LZEUXOSMVDMGLR-ZBFHGGJFSA-N	247.357	4.515	0	10	BJAE	
CCC(C)(C)C[C@@H](CCC(C)(C)C1CC1)NC	696204894	DZSRKGRNLZDOAM-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@@H](C)C1CCC1	697852907	YWUQBDIZOPPEIG-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(C)(C)Nc1ccc2ccccc2c1	697961347	BGFCOWDEZQELIP-UHFFFAOYSA-N	227.351	4.686	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(O)C[C@H](C)C(C)(C)C	710741330	BRYOUSCOVJGOHW-OFQRWUPVSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@@H]1CC[C@](C)(C[C@H](C)C(C)(C)C)C1	711223492	GFTYPEDSTZYKIH-SQWLQELKSA-N	239.447	4.617	0	10	BJAE	
O=C(CCC1CCCCC1)CC[C@H]1C[C@H]1C1CC1	714896719	RHHMEIYSVOABJV-RDJZCZTQSA-N	248.410	4.742	0	10	BJAE	
CCc1ccsc1C(=O)CCC(C)=C(C)C	718711082	PPRWZBYDIMBKCZ-UHFFFAOYSA-N	236.380	4.630	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@@]1(O)CCCCCC1(C)C	719290550	HZHWVNKTYNXOQQ-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@H]3CCC[C@@H]32)cc1	722076396	LSCDTSKMXHZWCJ-HYVNUMGLSA-N	243.394	4.630	0	10	BJAE	
C[C@@H](SCC(C)(C)C)c1cc(F)ccc1F	1459074912	FCSWMCAZNUNBDO-SECBINFHSA-N	244.350	4.805	0	10	BJAE	
CCCC(=O)c1ccc(C=C(Cl)Cl)s1	1614951282	YWOMCODLUPTKTJ-UHFFFAOYSA-N	249.162	4.507	0	10	BJAE	
CCC[C@@H](CC)CC[C@H](C)CNC(C)(C)C	1905367023	SKHGQVQBGDZLNA-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](C[C@@H](C)CC)NCC	1905435324	QCPIIPGLOLMUDW-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCCCC[C@H]1O	1905443112	GONHRQVTUXSMTG-RRFJBIMHSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@](C)(N)C1(C)CCCCC1	1905604539	FFGDNVMJIVRCPM-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCCNC[C@]1(C[C@H]2CCC[C@H](C)C2)C=CCC1	1916378192	QPMBXERNYWPEIZ-YESZJQIVSA-N	249.442	4.539	0	10	BJAE	
CCC1(C)CC(CN[C@@H]2CCC3(CCCC3)C2)C1	1916434422	JUSOBMANUVLSOJ-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC(C(=O)[C@@H]2CCC[C@@H](CC)C2)C1	1921278645	YLYAZTYNVXBWPU-FEWQNLEASA-N	236.399	4.598	0	10	BJAE	
COc1ccc(C)cc1CC[C@@H]1C=CCCCC1	1925844267	SJSUPDIPBFXVGB-OAHLLOKOSA-N	244.378	4.683	0	10	BJAE	
CC1CC(CC(=O)C[C@H](C)C2CCCCC2)C1	1927013532	OFDJWMNDNGWWBP-MOKVOYLWSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cc(Cl)sc1C	1933560489	NKDNVHNEMCGILU-KWQFWETISA-N	246.803	4.570	0	10	BJAE	
CCCCC[C@@H](CCCC1(C)CC1)NCC	1935941487	VLUTVUBUSPDMSG-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](O)CCCC(C)(C)C	1936200088	YBLUGFKLGXPQKM-ZIAGYGMSSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)c1cscc1CC	1938826607	NUUYFWDPLGXYLV-SMDDNHRTSA-N	240.412	4.560	0	10	BJAE	
CC[C@H](C[C@@H](O)c1cc(C)cs1)C(C)(C)C	1939445156	WWRAAZGHEJLQOE-VXGBXAGGSA-N	240.412	4.552	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@](O)(CCCC2(C)CC2)C1	1940871135	ZXIDZGCCSXSPJQ-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@](N)(CCCC1CCC1)[C@@H]1CC1(C)C	1941463576	IJDZFMAZONKWSC-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@]1(N)CCCC1CCC1	1941465843	RDPWAHWFOXTRDV-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CCCC1CCC1	1941689384	GIXZWHMXBHDQLK-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(CC)[C@@H](CC1CCC=CCC1)NC	1941826142	NAFNJXPOUWOKNC-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CC(C)(C)C)[C@H](C)CCC(C)C	1942664269	SAAPNTGRRUOZJO-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@]12CCCC[C@@H]1CCC2	1944156592	QTVXRXFCNUSFIS-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)CCNc1cccc(C2(C)CC2)c1	1944596404	NIIRUKCDUIMHFD-ZDUSSCGKSA-N	231.383	4.586	0	10	BJAE	
CC[C@@H](C)[C@H](C)Nc1ccc(C2(C)CC2)cc1	1944599013	WQKXEGUQISNRTP-OLZOCXBDSA-N	231.383	4.585	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cccc(C2(C)CC2)c1	1944600014	KXRQYUGVMQHEMC-QWHCGFSZSA-N	231.383	4.585	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC[C@@H]1C)CC(C)(C)C	1944844786	CBLUANPOLBUIRS-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CNc1ccc(-c2cccc3sccc23)cc1	1945970508	PIYBAVGCZMEEGT-UHFFFAOYSA-N	239.343	4.610	0	10	BJAE	
Cc1cc(C)c(CC[C@H]2C=CCCC2)c(C)c1	1947552486	OZLACNXTOKPXTG-INIZCTEOSA-N	228.379	4.901	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](C)N[C@H](C)CC1CCCC1	1948329228	ZAPUXRWJZFGMSZ-RRFJBIMHSA-N	239.447	4.616	0	10	BJAE	
CCCCCC[C@](C)(N)C1=CCCCCCC1	1948952374	YWMZXAXYTZAWMU-INIZCTEOSA-N	237.431	4.955	0	10	BJAE	
C[C@@H](CC[C@@H](O)CC1CCCCC1)C(C)(C)C	1949907170	LGQNBMWKSJJNSZ-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CCCC1(N)CC2(CC(C)(C)C2)C1	1950973347	UUNUAHNIMFRXLF-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCCCNCCCC(C)=Cc1ccccc1	1951318543	XAFGGJHADVRQGJ-UHFFFAOYSA-N	245.410	4.650	0	10	BJAE	
CCCC[C@H](CC)c1nc(C(C)C)cs1	1960043581	FWHGNHGCRUSXII-NSHDSACASA-N	225.401	4.950	0	10	BJAE	
C1CCCC(CCN[C@H]2CCCC23CCC3)CC1	1966249639	LOWBIAPOXLTLIT-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CC1(C)CC[C@@H](NC2CC(C3CCCCC3)C2)C1	1967792643	FVBREHQLHRZMFZ-HWOWSKLDSA-N	249.442	4.514	0	10	BJAE	
Fc1ccc(NC2C[C@@H]3CCCCC[C@H]3C2)cc1	1968254567	JKNJJRZDLYDKQT-STQMWFEESA-N	247.357	4.597	0	10	BJAE	
CCCCC1CC(NCC2(CC)CCCC2)C1	1971017069	YTNURKSGGNWNHD-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](C)C(=O)[C@H]1CCC[C@H](CC)CC1	1976342466	NZTJJZOEFWKDOV-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)C(=O)C1(C)CCCCCCC1	1981428409	QOKRIIZXZOPOHP-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CC=CCCCn1ccc2cc(Cl)ccc21	1984591900	VWNVPCLFORITOL-UHFFFAOYSA-N	233.742	4.651	0	10	BJAE	
CCCC(CCC)N[C@H](CC)CCC(C)C	1986971743	VSZADJNXHBCXCI-CQSZACIVSA-N	227.436	4.760	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)C1CCCCCCC1	1988296203	UKBXSMDYSXKPAO-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@H](CC)NC[C@@H](C)CC(C)C	1990046843	ZPJVRVBUSCPGAZ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H](C)CC(C)C	1990092116	VLJOSFVFIUWGHB-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
CC(C)=C(C)CCN(C)[C@@H]1CCCCC[C@@H]1C	1995751477	JRYBMIUIQFEFFJ-JKSUJKDBSA-N	237.431	4.633	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@H]1CC[C@H](C)C1)NCC	1996248694	XPVWVEOAFFFUPO-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC[C@](N)(C[C@H](C)C(C)(C)C)C1CCCCC1	1996589393	NPEHYMOJKAAAMN-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CCCC(C)(C)CN[C@@H](C)C1(C)CCCCC1	1996613324	QCFKNPPZVNDLQB-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C)[C@@]1(O)CCCC2(CCCCC2)C1	1996646157	RMVKZMPOGQNMAP-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCC(CCC)NC[C@@H]1CCC[C@H](C)CC1	1997116784	MZYNOOZBWOQTHZ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CC[C@H]2CC)cc1	1998750852	BNUDSLWISUKKBZ-ZENOOKHLSA-N	231.383	4.801	0	10	BJAE	
CC1(C)CCC[C@H]([C@]2(O)CCCC(C)(C)C2)C1	2000023930	LETXDPAADKBUDL-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C(=O)[C@@H]2CCCC[C@H]2CC)CCC1	2000195554	UNDBQFYDDJEHQP-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
CCN[C@@H](CCCC(C)C)C[C@@H]1C=CCCC1	2000312060	GHNOMUUOPBPPGT-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@](C)(CN)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	2000483283	LKSWXBMKJJGCRH-FXUDXRNXSA-N	239.447	4.604	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@@H]1[C@H]2CCCCC[C@H]21	2002219331	GLLNREUMQYSMCU-FICVDOATSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@@]1(C)CCCC1(F)F	2002594937	ZFGITFIFEQRKQQ-CYBMUJFWSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)C[C@@]1(CNC)CCCC(C)(C)C1	2002992341	AUDYGVTUUUDPBP-INIZCTEOSA-N	239.447	4.619	0	10	BJAE	
CNC[C@@]1(CCC=C(C)C)CCCC(C)(C)C1	2002993735	NGVUEOMIZRWSOD-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(N)CCCC2(C)CC2)C1	2003023272	WYRNARPMSHERRY-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H](NC1CCCCCCCC1)C1CC1	2003102563	YHZARGYAGCSWRS-INIZCTEOSA-N	237.431	4.514	0	10	BJAE	
CC1(C)C[C@@]1(C)CNC1CCCCCCCC1	2003103011	ZZSRCQZVLMSOBC-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H]([C@@H]1CCC[C@H]1C)C(CC)(CC)CC	2006753749	FRKXEOBCVCICBT-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@@H]1CCCCC1(C)C	2007853421	LDYVQOJELDZYFD-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)c1cc(C)cs1	2007935809	YGRFFFSQWKQMPG-AWEZNQCLSA-N	249.423	4.598	0	10	BJAE	
CCCN[C@@H](C=C1CCCC1)c1ccsc1C	2007945537	UDYGWXWUYSOSLW-HNNXBMFYSA-N	249.423	4.598	0	10	BJAE	
CC=CCCCC(=O)c1cccc(C(F)F)c1	2009569092	KXORJKPKTWLEHP-UHFFFAOYSA-N	238.277	4.553	0	10	BJAE	
C/C=C/CCCn1ccc2cccc(CC)c21	2009577261	MSJLGIYLFUJSHC-HWKANZROSA-N	227.351	4.560	0	10	BJAE	
CCCCCC1CC([C@H](CC(C)C)NCC)C1	2009803602	BYJCOCVIJWFMNL-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C(C)(C)C(=O)CC[C@]12CCC[C@H]1C2	2011012547	XSKVOUDDRVRYTN-LRDDRELGSA-N	236.399	4.598	0	10	BJAE	
CCCCC(C)(C)NC[C@H](C)C1CCCCC1	2013527936	GFRSFTNGZZTJCV-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)[C@H]2CCC2(C)C)c1	2014903493	STVKIYGDXHCFAK-UONOGXRCSA-N	231.383	4.540	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](O)C[C@@H](C)C(C)C)CC1	2015279127	UOLIBEWRCHMYHC-LVQVYYBASA-N	240.431	4.636	0	10	BJAE	
CCc1cccc(CC)c1NC[C@H](C)C(C)C	2015290447	KFBCVHJGGTYDRP-ZDUSSCGKSA-N	233.399	4.515	0	10	BJAE	
CCCC1(CC(=O)[C@@H](C)C2CCCC2)CCC1	2015596968	XZKQGCQEISKSEX-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC(CNC2(CCC)CC2)CC1	2017721096	JJQTYXJLUSOSQR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC1CCC(C[C@H](N)CCC2CC2)CC1	2017723678	KVDZGWBKCBLGQA-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@H]1CC[C@H](C)CC1	2017728851	PQLODEHEWCUEKS-JYJNAYRXSA-N	239.447	4.748	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CCC2(C)C)CC1	2017729376	WDQZBHQUORLYKC-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@](C)(N)C[C@@H](C)C1CCCCC1	2017792422	AFNIUNSROXIYGD-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCCC1(C[C@@H](N)C2CCCCCCC2)CC1	2018917062	NCKQWRUCIAIERY-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@@H](NC)C(C)(C)C(C)(C)C)CC1	2019007852	GYBRXRFOFNFTMH-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C1(C)CCCCCC1	2022556302	DXZYWPIPMMNOCH-ZIAGYGMSSA-N	236.399	4.742	0	10	BJAE	
C[C@H](C[C@@H]1CC(C)(C)CC1=O)C1CCCCC1	2023636805	QRTJMQQQJVUYDF-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](CN)CC1CC(C)(C)CC(C)(C)C1	2024089489	QJGARVNHSJZBRV-ZDUSSCGKSA-N	239.447	4.604	0	10	BJAE	
CCC1CC(CCN[C@H](CC)C[C@@H](C)CC)C1	2025375436	WUOLKJHUVCTUIQ-SLTXQBBLSA-N	239.447	4.617	0	10	BJAE	
Cc1c(F)cccc1-c1nc(C2CCC2)cs1	2026539351	BNQVAFVMAJIPCO-UHFFFAOYSA-N	247.338	4.525	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)c1cccc(C2CCC2)c1	2028267196	YLPBZZGSJJJEHR-DLBZAZTESA-N	245.410	4.636	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1NCC1(C2CCCC2)CC1	2029735691	FTPAUTXHPKLANW-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](N)c1ccc(C2CCCC2)cc1	2031748452	BDIGBVAVRWWQMM-KRWDZBQOSA-N	245.410	4.780	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)C[C@@H]1CCC[C@@H]1C	2032513903	KCNIUEKCOFILQX-BHYGNILZSA-N	249.442	4.681	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNC2(C)CCCCCC2)C1	2033411045	ZSKCAOFYXWNFSR-GOEBONIOSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc2[nH]c3c(c2c1)CCCCCC3(F)F	2035245952	DICWGKBEXNMMDB-UHFFFAOYSA-N	249.304	4.685	0	10	BJAE	
CCc1occ(C)c1C(=O)CC1(C)CCCCC1	2035530910	AWKFGPQMWXNJLP-UHFFFAOYSA-N	248.366	4.694	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C[C@H]1C=CCCC1	2035575278	GLAGSHVMYBTXMD-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](C1CCCCCC1)[C@H]1CC12CCCC2	2036096520	LCHJPKSJXRLCKO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(N)C[C@@H](C)c1ccccc1	2036386404	YEMFFOBZQBRUPQ-VYDXJSESSA-N	247.426	4.580	0	10	BJAE	
C[C@H](C[C@@]1(N)CCC2(CCCCC2)C1)C1CCC1	2037161311	ZTUUKITWHIFPOU-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)CC1CC2(CCC2)C1	2038082400	DXEMJLHSJXJRAL-BBRMVZONSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C1=CCCCC1)[C@H]1CCCC(C)(C)CC1	2039374420	GWBDMEUPRIDIME-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CCC(C(=O)C2C[C@@H]3C[C@H]3C2)CC1	2045456379	CJNHVEJWQRBALC-WUCCLRPBSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C(CC2(N)CCC3(CCCCC3)CC2)[C@@H]1C	2045656845	FKQIEQHUVXVSFQ-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@@H]1C(C)=CCC[C@@H]1C	2045747987	JHIZZYOUNCWZSG-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC1(C[C@H](N)C2[C@@H]3CCCCC[C@@H]23)CCCCC1	2048360730	OPWVIDKYJULNDO-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CCC2=CCCCC2)C1	2049498250	JXEOFBGYALTJPB-QGZVFWFLSA-N	249.442	4.812	0	10	BJAE	
Cc1cc(F)cc(N[C@H](C)[C@H]2CCC[C@@H](C)C2)c1	2049539444	GTZNASSIBPSFLJ-BNOWGMLFSA-N	249.373	4.761	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)C[C@@H]2CCC3(CC3)C2)C1	2049848804	LTLHYCYBRMPIEE-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@@]12C=C[C@@H](CC1)C2	2050007874	GHYIYJWPWDADCV-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CCC1=CCCC1)c1ccc(C)cc1	2050428366	FDKVVPQOGAOGRV-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C(C)C)c1ccc(C)cc1	2050439153	RYPNRQJVASRCIY-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
C=CC=CCCC[C@H](NCC)c1ccccc1C	2050464870	POZMUJYTZHOVGY-KRWDZBQOSA-N	243.394	4.558	0	10	BJAE	
CCNC[C@@]1(C[C@H]2C=CCC2)CCCCC1(C)C	2053393729	JZZMAKDGANMHAU-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CC(C)=CCCC(C)=CC[C@H](C)C(C)=CCO	2055496747	STLRNDLGNUYBKN-HNNXBMFYSA-N	236.399	4.644	0	10	BJAE	
CC1=C(C)[C@@](N)(C[C@@H]2CCC=CCCC2)CCC1	2055599615	OMZCJVDUIHUEEK-SJORKVTESA-N	247.426	4.731	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C2(C3CC3)CCCC2)C1	2057598698	RENCAXDKFVKTJC-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H]1CCC2(CC2)C1	2059248985	CXMMUIMIFCNOSJ-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC=C(C[C@H](O)c2cccc(C)c2)CC1	2061099381	OUGVOFXXZDNJFW-YOEHRIQHSA-N	244.378	4.555	0	10	BJAE	
CC[C@@H]1CC=C([C@]2(N)CCCC(C)(C)CC2)CC1	2061112275	DTFMPIDARYSTTC-PBHICJAKSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@@H]1CC[C@H]1C1=CC[C@H](C(C)(C)C)CC1	2061136662	BJKIUOFTHJLHFJ-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CN[C@@H](CCC1(C)CC1)C1=CC[C@@H](C(C)C)CC1	2061140340	MOJAYTSBBXFULC-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](N[C@@H](CC)c1occc1C)C1CCC1	2063682731	ZVHZAOFJCFVAEQ-LSDHHAIUSA-N	249.398	4.598	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C12CCCC1CCC2	2063822625	UTQJXJKWOHYEOW-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC12CCC(CC1)CC2)C1CCC1	2065309230	YXYPGQVQLOFIPT-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
N[C@@H]1CCCCCCC[C@@H]1CC12CCC(CC1)C2	2065337357	MDRFFZZPJHWHNG-JCCCHCCOSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NC1CCC2(CCC2)CC1)[C@@H]1CCC1(C)C	2068346165	OVIDZTVYBZLEIX-ZFWWWQNUSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](CNc1cccc2ccccc12)C(C)C	2070276179	RKICDGQLUSUVBI-CQSZACIVSA-N	241.378	4.934	0	10	BJAE	
CCC[C@H]1CC[C@H](CN[C@H]2CC23CCCC3)CC1	2072793269	ITCCTJQLRQIOEL-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(CC(=O)[C@@H]2C[C@H]2C2CC2)CC1	2072877554	IIVDAGMOVGYJQD-FPCDFSMTSA-N	248.410	4.598	0	10	BJAE	
CC1([C@H](N)C[C@]23CCCC[C@@H]2C3)CCCCCC1	2074030796	VPNYNFQVBBWJNJ-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@@]2(CNC3CC3)CCC2(C)C)CC1	2074625181	YMFFOENIBIGPTH-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N(C)C[C@@H]1CC=CCC1)C1(C)CCCCC1	2075167837	MEFVSPDHZINODP-HZPDHXFCSA-N	249.442	4.633	0	10	BJAE	
OC(CCC1=CCCCC1)(C1CCC1)C1CCC1	2075717995	REESGYXXPZOFTI-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC=C(CC)[C@H](NCC)c1ccc(C(C)C)cc1	2077189666	KHJHBUGQEHWPSZ-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CC=C(CC)[C@@H](C[C@H]1CCC12CCC2)NCCC	2077197135	PJCYLHPUISGJQS-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
c1ccc(C2CC2)c(NCC[C@]23CCC[C@H]2C3)c1	2077265492	UVOYDVCVEDEECM-YOEHRIQHSA-N	241.378	4.556	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C[C@@H]2C[C@H]2C2CC2)CC1	2079293081	BNQUHMMVAACBTJ-BSWAZPDLSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@]1(C[C@@H]2C[C@@H]2C2CCCC2)CCCN1	2079705686	IRCADCQUHFULON-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@@H](N)[C@H]2C[C@@H]2C2CCCCC2)CCC1	2079830495	BTOMWMBDUARNJZ-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](C=C1CCC1)[C@H]1CCCC(C)(C)CC1	2080254074	AMEBMOKDYRQXRT-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@@H](CC2CC3(C2)CC(C)(C)C3)C1=O	2082841710	GUTSGWXPOAVFGL-JSGCOSHPSA-N	248.410	4.598	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)[C@@H](C)CCC(C)C)c1	2082918444	ISLPCMURPBWCLB-GUYCJALGSA-N	247.426	4.684	0	10	BJAE	
CC1(C)CCC[C@H](C=C[C@@]2(C)CNC(C)(C)C2)C1	2082987419	QSWAOKBEWATITK-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](O)CCCCC1CC1	2214572576	FKULEXJAAQNBER-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CCCCC1CC1)C1(C)CCC1	2214580326	LNWWRGIWVIBNTA-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CC[C@H]1CC(=O)c1cc2ccccc2s1	2215058171	CEHDFOWZIGLKBH-QWRGUYRKSA-N	244.359	4.520	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)[C@H]2CCC(C)(C)C2)CC1	2215806452	FOSPVGPIFDQODR-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CC[C@@H]1C[C@@H]1[C@@H](O)CCCCCCCC1CC1	2216860532	BFPWGEZUVHRGSA-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@]1(CN[C@H](C)CC)CC=C(C)CC1	2217127679	DXVVEAVQBOSTTB-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNc1ccc(C(C)(C)C)cc1	2220927747	KFTNBIOUPVSJCI-ZIAGYGMSSA-N	245.410	4.832	0	10	BJAE	
CCc1cccc(NCC2(C)CC3(CCC3)C2)c1	2221024327	AGRIEVOCRLYDOE-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@@]1(C)CC=C(C)CC1	2221609718	MBJJANUVYUARTG-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
Cc1ccc([C@H](C)[C@H](O)[C@@H](C)CCC(C)C)cc1	2223955413	QCUGJXYAJGJDOK-YQQAZPJKSA-N	248.410	4.532	0	10	BJAE	
CC(C)=C(C)CCc1nccc2sccc12	2243725406	NZQIPNGRUGKSSW-UHFFFAOYSA-N	231.364	4.585	0	10	BJAE	
CCC[C@H](CC)[C@@H](CCC(C)(C)C)NCC	2244779531	DKGSSUWTQRBCDD-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cc(Cl)ccc1C	2244786795	XBLJMRBIPOECCH-SMDDNHRTSA-N	240.774	4.508	0	10	BJAE	
CC[C@@](N)(CC[C@H]1CCCCC12CC2)C(C)C	2246632311	XCKLBQFUANCIPI-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)c1cc2ccccc2s1	2246950278	WSXYZZRMNAITDX-PWSUYJOCSA-N	244.359	4.520	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@](C)(O)CC1CCCC1	2247129999	RTVNWQWDOQLMSA-VNQPRFMTSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CC1(CCC)CCC1)NC	2250358764	APXCVVQVRSYUQE-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCCc1ccc(NC[C@H](CC)CCC)cc1	2250390048	OUICZKLCNBZIAU-CQSZACIVSA-N	233.399	4.877	0	10	BJAE	
CCCC[C@H](CCC)NC[C@]12CCC[C@H]1CC2	2251167704	QQLVORAQLKSLHR-HRCADAONSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@](O)(CC)C[C@]12CCC[C@H]1CC2	2251225721	XFASEXQMMYZDMD-CAOSSQGBSA-N	238.415	4.534	0	10	BJAE	
CC(C)CC[C@](C)(O)c1ccc2ccsc2c1	2253052792	BLZCTNQWRKTNCZ-HNNXBMFYSA-N	248.391	4.545	0	10	BJAE	
CC(C)CC(=O)CCC12CC3CC(CC(C3)C1)C2	2253979175	UPZXCYLTAKIOCV-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC[C@@H](CCC2(N)CCC3(CC2)CC3)C1	2254000719	GNLVKKICKJSSRT-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC12CCC2)C1(CC)CC1	2255027794	WOQMXOMJDCKZDI-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)[C@H]1CC=CCC1	2255095057	QOHHHCKHBLKQDJ-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@H]1CCCC12CC2	2255313423	PTKLRYGJUXUKJQ-AWEZNQCLSA-N	242.362	4.538	0	10	BJAE	
CCc1cccc(F)c1N[C@H](C)c1ccccc1	2256113324	BVUJBNWXCZFJLX-GFCCVEGCSA-N	243.325	4.561	0	10	BJAE	
CCc1cccc(F)c1N[C@@H](CC)C1CCCC1	2256143550	DQYTTZRXWKEHGG-HNNXBMFYSA-N	249.373	4.769	0	10	BJAE	
C[C@@H](NCCC1(C)CCCCC1)[C@H]1CC12CCC2	2256429754	WGBKFVXKIDQNGN-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(NC[C@@]23CCCC[C@@H]2CC3)C1	2260554021	LRKIEDMFXCYRLY-MYBQVCMBSA-N	249.442	4.515	0	10	BJAE	
CC[C@](N)(C[C@@]12CCCC[C@H]1CC2)C1CCCC1	2260655002	BCGJNJYFMDDXMO-XIRDDKMYSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@]12CCCC[C@H]1CC2	2260677773	HKNFZVGUPGQGKO-TWMKSMIVSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C(=O)c1cccc(C2CCCC2)c1)C1CC1	2260734503	ZAZHKYPHCXZZAO-LBPRGKRZSA-N	242.362	4.573	0	10	BJAE	
C=C=CCC[C@H]1[C@@H](NCC)C(C)(C)CCC1(C)C	2261441447	DFHVOCZTHHNBBY-LSDHHAIUSA-N	249.442	4.548	0	10	BJAE	
CC(C)CCC[C@](C)(O)CC[C@]12CCC[C@@H]1C2	2300473132	WFRMQIFMFCEZBM-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC[C@]1(O)CCC[C@H](C(C)C)C1	2300680199	BDKBQKGAKUWRJF-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@@H]1CCCC1(C)C	2300910419	ZLXBUIPYJOGQHL-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC(=CC[C@H](O)C[C@@H]1C[C@@H]1C)CCCC(C)C	2300932583	URVRATQZPLSUQT-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@H](C)[C@H](N)CCCC1=CCCCC1	2302357380	XYTVAHJSEFXMGX-GDBMZVCRSA-N	237.431	4.811	0	10	BJAE	
CCC1CCC(CCC2(N)CCCCC2)CC1	2302566945	ZCGGJBXGFVUEAK-UHFFFAOYSA-N	237.431	4.645	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H]1CCC(C)(C)C1	2302686261	XVFHZMBIBQHISJ-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2CC(=O)CC(C)(C)C2)C1	2302874076	ROEUIDGKXLKXAN-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CC[C@@H](C)CC2=O)CC1	2303519470	DSQKGATYNBWGGV-KCPJHIHWSA-N	234.383	4.518	0	10	BJAE	
CC1=C(C)C[C@@H](CSc2ccc(O)cc2)CC1	2303575159	HFPOAVFBHFUJSZ-ZDUSSCGKSA-N	248.391	4.621	0	10	BJAE	
CCCN[C@@H](CC)CC[C@@H]1CCC(C)=C(C)C1	2303584808	SHJKRPVYCHXJSV-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1C[C@H]1CC[C@H](N)C[C@@H](CC)C(C)(C)C	2303588047	VICLSCFOQWNAIL-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1CCC(C)=C(C)C1	2303603691	VQBOCSQHGFEWIS-HZPDHXFCSA-N	237.431	4.680	0	10	BJAE	
CC[C@@](O)(CC[C@H]1CCC(C)(C)C1)C(C)(C)C	2304361654	XEERPKWCXXMHFH-CZUORRHYSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CC1=CCCCC1)NC	2307819614	NYMYFBLJUTXANK-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CN[C@H](C)CC)C1CC1	2307837845	LAGWTQPVORYARR-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H](CCC)CC(C)C	2307900491	GELUXBNBBJORHQ-ARFHVFGLSA-N	241.463	4.993	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H]1CC[C@H](C)CC1	2307907600	MHSGANLLQWPDHS-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H](CC)CC(C)C	2307911604	WRKLMAFMAWCZFC-XHSDSOJGSA-N	241.463	4.863	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@H]3CC[C@@H]2C3)CCCC1	2308572352	RJGAHIBZKJBVJL-ZMSDIMECSA-N	249.442	4.658	0	10	BJAE	
O=C1CCCCCCC[C@H]1C[C@@]12CCCC[C@@H]1C2	2311163133	ZQVLXDJDAANGNK-ZMSDIMECSA-N	248.410	4.886	0	10	BJAE	
C1=C[C@@H](N2CCC[C@H]3CCCC[C@H]32)CCCCC1	2311203593	PORFMBWUJNQKOY-BRWVUGGUSA-N	247.426	4.530	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@]1(N)CCC[C@H]2CCCC[C@H]21	2311718038	RBOJWXAPLNBMIH-NQNKBUKLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@H](N)[C@@]23CCCC[C@@H]2C3)C1	2311892902	PVVLWYRDLGKQSJ-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@@]2(N)CCC[C@@H]3CC[C@@H]32)C1	2312670679	QXTLZSUBPPEPIC-ALYAQQCSSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1	2312907908	RSIWQFHZFMJBOF-LEOABGAYSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313188826	PFOPSNUWJJSSMK-CQJMVSDSSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCC(C)(C)C[C@@]1(N)C[C@@]12CCC[C@@H]1CC2	2313346218	NTBGVXUGMMUUPT-HDEZJCGLSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@](C)(N)CCC(C)(C)C)ccc1C	2314710371	DRKIHELRIDLWSL-QGZVFWFLSA-N	247.426	4.558	0	10	BJAE	
CC(=CCN1CCC[C@@H]2CC[C@@H]21)CCCC(C)C	2316506705	RESPPZXMHSCGNW-SJORKVTESA-N	249.442	4.633	0	10	BJAE	
CC=CC[C@@H](NCCC)c1ccc(CCC)cc1	2316510572	NJWOIJSFRYNOCR-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@@]12CCCC[C@H]1CCC2	2316542557	QXJDVPDOCITCGY-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](CC1CCCCCC1)[C@@H]1CC12CC2	2316886868	YNJAYLOOMNRDLC-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)C[C@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317153404	BGSRKGFMCSCGJH-NCOADZHNSA-N	249.442	4.523	0	10	BJAE	
CCCC[C@H](C[C@H]1C[C@H]2C=C[C@H]1CCC2)NCC	2317159330	YLXHEARNIZONET-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@](N)(CCCC1=CCCCC1)C1CCCCC1	2318568776	NEEJTLNVTSUYRY-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
Cc1cc(C)c(C(=O)CCCCC2CC2)c(F)c1	2318879566	CZKZMHAPKDPSBH-UHFFFAOYSA-N	248.341	4.596	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)C1CCCCC1	2320388853	UWPUMVOGXASFFJ-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]32)CC1	2320398409	RAPJIPOCZPJZNZ-FXUDXRNXSA-N	246.394	4.518	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)CC[C@@H]2CC2(C)C)CC1	2320409768	XXVRTYBJGZBZKH-HUUCEWRRSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@@H](CNc2cc(C)cc(C)c2)CC1	2320410574	FWVHUGUHLZDVKM-INIZCTEOSA-N	243.394	4.852	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)CCCCC2CC2)CC1	2320410831	AZSUBMVWDOOOCX-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CC(C)c1cccc([C@H](N)C[C@@H]2CCC[C@H]2C)c1	2320520525	INCYFEXTQZOPPA-UKPHBRMFSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H]2C[C@H](C)C[C@@H](C)N2)c1	2327780310	BKONTIMRUACIPS-CPUCHLNUSA-N	245.410	4.568	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1F	2327807687	JZKNSUOGWUWBPY-KWCYVHTRSA-N	247.357	4.550	0	10	BJAE	
CCC[C@H](CC)C[C@](CC)(CO)c1ccccc1	2328213972	SYBCZNPXRYQBJZ-DOTOQJQBSA-N	248.410	4.543	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C1C2(CCC2)C12CCC2	2328291266	HKSGXRAKSSBNND-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
Cc1c(C)c(C)c([C@H](N)CCC(C)C)c(C)c1C	21505445	DRAAGGGXEMKWJR-MRXNPFEDSA-N	247.426	4.665	0	10	BJAE	
CCC[C@H](C)CNc1ccc2sccc2c1	36975603	JKBYWJFPPXYZRY-NSHDSACASA-N	233.380	4.749	0	10	BJAE	
CCCc1ccc([C@@H](C)N[C@H](C)CC(C)C)cc1	37261004	HZJRWGAZWGUIDL-HUUCEWRRSA-N	247.426	4.724	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1cccc2ccccc12	54439035	JDTBIZLFONERMR-MRXNPFEDSA-N	241.378	4.666	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)c1cccc(C)c1C	68863362	OGJSVMVXVMVYDA-RDJZCZTQSA-N	248.410	4.943	0	10	BJAE	
CC[C@H]1CCC[C@@H](Nc2ccc(C)c(C)c2)C1	71105704	DZSGMDIAAJUBNN-LSDHHAIUSA-N	231.383	4.684	0	10	BJAE	
Cc1cccc(N[C@@H]2CCC[C@@H](C3CC3)C2)c1C	81624375	KDKSDDDNOCCKSB-HZPDHXFCSA-N	243.394	4.684	0	10	BJAE	
CCCCCCC(=O)[C@H]1CCC[C@@H](CC)C1	83784108	RKAOGUJVUBYUEW-KGLIPLIRSA-N	224.388	4.742	0	10	BJAE	
CCCCCC[C@H](O)[C@H]1CCCC[C@@H]1CC	84739445	RFWSBFCIUAPRSB-KKUMJFAQSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@]1(O)CCC[C@@H](C(C)(C)C)CC1	87187809	ZPUSKACSORGJFL-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
C=Cc1c(F)cccc1O[C@@H](C)c1ccccc1	94722762	CSLNLBBHTSIXFG-LBPRGKRZSA-N	242.293	4.609	0	10	BJAE	
CCCCC1CCC(C(=O)c2ccc(C)o2)CC1	110174339	JXIQFFLORDRRES-UHFFFAOYSA-N	248.366	4.767	0	10	BJAE	
CCCCCC1(CN)CCC(C(C)(C)C)CC1	110193994	JQROGTANXIBCCG-UHFFFAOYSA-N	239.447	4.748	0	10	BJAE	
C[C@H]1CCC[C@H](c2nc(C(C)(C)C)cs2)C1	131927438	PBNKXEFHBCUGHS-QWRGUYRKSA-N	237.412	4.734	0	10	BJAE	
C[C@H]1C=CCC([Si](C)(C)C)=C1[Si](C)(C)C	195805970	DIOCXDLKNIFEAN-NSHDSACASA-N	238.523	4.634	0	10	BJAE	
CCCC[C@H](CC)C/C(C)=C\CCNCC	211867234	GTDKZZMPCMRJRC-LTBFUDJGSA-N	225.420	4.539	0	10	BJAE	
CCC[C@@H]1CC[C@H](NCC)[C@@H](C[C@@H](C)CC)C1	217715180	SLCYMTGEAAKGMB-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1cccc(Cl)c1C	220551071	JARRGQLUKXSOHR-QMTHXVAHSA-N	240.774	4.508	0	10	BJAE	
CC(C)CCC[C@@]1(N)CCC[C@@H](CC(C)C)C1	230789640	JWAUWFDNAAPIMT-JKSUJKDBSA-N	239.447	4.747	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](CNc2ccc(C)c(F)c2)C1	235679431	UUWKRHLWVQFRKS-RISCZKNCSA-N	247.357	4.538	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)[C@H]1CCC[C@H](C)C1	250541214	PVPLCRYNKYXOSU-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1(C)CCCCC1	300995055	WFHSZHRYAQDPDQ-ZDUSSCGKSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)c1ccccc1OCCC1CCCC1	302256226	MUKDTPNIMBDLIA-UHFFFAOYSA-N	246.394	4.943	0	10	BJAE	
CCCC[C@H](C)C(=O)c1ccc(CC(C)C)cc1	302459315	WFHLDEZHYFAUHA-AWEZNQCLSA-N	246.394	4.894	0	10	BJAE	
CCCC[C@](CC)(CCC1CCCC1)CNC	305933209	KFEFCVGTOSUKQF-MRXNPFEDSA-N	239.447	4.763	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CCCCF)NCC	308045383	GEDCLYYQDAMMBQ-GJZGRUSLSA-N	245.426	4.567	0	10	BJAE	
CCCCCCC(=O)C(C)(C)C(C)(C)C	308935058	KOTOPQUKBYPAAE-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCCC1([C@H](NCC)C2CCCCCC2)CC1	310408134	WCKQAPDIYGKZPB-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](N)CC2(C)CCCC2)C1	310497731	HFAXOGZEHGMRAQ-ILXRZTDVSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(OC[C@H]2CCC[C@@H](C)C2)cc1C	310547882	VNXPCEBQNGLYDJ-DOMZBBRYSA-N	232.367	4.509	0	10	BJAE	
CC(C)C[C@H](C)CN[C@@H](c1ccccc1)C(C)C	310579522	ONBDLVMZKDDXMD-DOTOQJQBSA-N	247.426	4.656	0	10	BJAE	
C[C@H](CC1(CNC2CC2)CCC1)C1CCCCC1	310843322	KZOJXALZBZDDIX-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@H](O)C[C@H]2CCC[C@@H](C)C2)c1C	311136112	RZRMDIUYAIMXFT-ISTRZQFTSA-N	246.394	4.553	0	10	BJAE	
CCCC1(CN[C@H]2CCCC23CCCCC3)CC1	313018999	RCMIQYJROMILOE-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(C)NCC1([C@@H]2C=CCCC2)CCCCCC1	317375306	KKJIIXZGCZZHSM-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCNC[C@]1(CC(CC)CC)CCCC[C@@H]1C	317498563	LFQIQTKOFJVAES-GOEBONIOSA-N	239.447	4.619	0	10	BJAE	
CCCCC1CCC([C@@H](O)[C@@H](C)C(C)C)CC1	319310519	HMJCWLHUYWYDSF-LBDPXKHJSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)[C@H](C)Oc1cc(C(C)C)ccc1C	319590285	KGFOALUHHOVTOI-OCCSQVGLSA-N	234.383	4.932	0	10	BJAE	
CC[C@@H](C)[C@@H](C)C(=O)c1ccc(Cl)c(C)c1	320197353	QBDUYRBFUBQFGZ-MWLCHTKSSA-N	238.758	4.513	0	10	BJAE	
CCCCC[C@H](CC1(C)CCCC1)NCCC	380107577	JYZVXXBYLHMUGN-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@@H](CCC(C)C)CC1(CC)CCC1	380224520	WMSKAXHDTHEDDV-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
C/C(=C/CCNC1CC1)C[C@@H](C)C1CCCCC1	380880645	CERGOEIYYZZBQJ-XIEDVDOYSA-N	249.442	4.681	0	10	BJAE	
CCC1([C@@H](O)CCCCCC(C)C)CCCC1	383117664	BENJXTREMCSRLG-HNNXBMFYSA-N	240.431	4.924	0	10	BJAE	
CC(C)CCCCCNC(C)(C)C(C)(C)C	383142766	MSEKSKYJJOLSQQ-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
Cc1cc([C@H](N)CCCCCC(C)C)c(C)o1	383243927	JERHAMHFNRZLAS-OAHLLOKOSA-N	237.387	4.503	0	10	BJAE	
CC(C)c1ccccc1[C@@](C)(O)C1CCCCC1	386232260	ATGCVYAMVQQNNV-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CC(C)CNCCCCC1(C)CCCCCC1	394691938	PEBJBPCSHPBMFX-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NC2CC(C)(C)C2)CC1	395168173	FDVXLDFQOFAGLN-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCOc1cc2c(CC)cc(Cl)cc2s1	396195399	WCOXCIWRZKQWSQ-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCc1ccc2cc(C(F)F)sc2c1S	396253931	VRIRHBPFFZQULB-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCN[C@@H](CCC1CCC1)[C@@H](CC)CC(C)C	398909998	KXUFZEUDFAUIBP-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1ccc(C(=O)CCCC2CC2)cc1	405703023	BOAHEKYHWBLSCW-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C(=O)CCC(C)(C)C1CC1	405962147	NQHWIAMYUNJPLV-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCCCCC(=O)CC(C)(C)c1ccccc1	686732865	OKKVNJHUIZUTMM-UHFFFAOYSA-N	232.367	4.504	0	10	BJAE	
Cc1cccc(Cl)c1NCCCC1CCC1	688369187	AXSVIMLXTLZWRA-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
Cc1cc(F)c(-c2cccc(C(C)C)c2)cc1N	688966597	DYTKNKVBSQAARI-UHFFFAOYSA-N	243.325	4.507	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)CC2CCCCC2)o1	689716493	IVTRMNGMCPZUFQ-TZMCWYRMSA-N	249.398	4.598	0	10	BJAE	
CCC[C@H](N[C@H]1CCCCC[C@H]1CC)C1CC1	691039004	ORDCDOMZXIBBJN-KBMXLJTQSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1Nc1ccc(C2CC2)cc1	691091774	WSEACBQRIRBNAB-DYVFJYSZSA-N	243.394	4.945	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](NC)C2CC(C)C2)cc1	691964939	YHDGLZFIIMWUDJ-YHVOSOIQSA-N	245.410	4.507	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NC1CCC2(CC1)CC2	695761667	SAMBAOIYTKRILU-ZIAGYGMSSA-N	237.431	4.514	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)c1ccccc1CC	696248939	LIOIBEYDMJUBSO-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCc1ccc([C@H](CCC(C)(C)CC)NC)cc1	696591384	DMPOTJDKQCSAMC-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CCC(C)(C)CC(=O)C[C@H]1CCC[C@H](C)C1	697256594	BJBMKIJDAVIGEI-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCC[C@]1([C@@H]2CCCC[C@H]2C)CCCCCN1	704799881	ULYUDFSMAMPGNE-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@H](C)NC1C[C@H]2CC[C@H](C1)C2	704837503	LDOJGNMSBRWTGA-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CCCC1CCC(N[C@@H]2CC[C@@H]3CCC[C@@H]32)CC1	707834710	LNJNOGSTLHHEDK-SSNHOHEISA-N	249.442	4.514	0	10	BJAE	
Cc1cc(Cl)ccc1N[C@@H]1CC[C@@H]2CCC[C@@H]21	707860675	PQFQREWTHUFWGH-CORIIIEPSA-N	249.785	4.639	0	10	BJAE	
C[C@H](C[C@]1(N)CCCC(C)(C)CC1)C(C)(C)C	710752722	JONQGEVVGCUQQJ-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](CC(C)(C)C)NCC	713173157	DKLQDUXCIXXENB-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C=C/C=C/CCc1c(C)ccc(C(C)(C)C)c1O	713689425	ZVZNGPMSZIRLKW-BQYQJAHWSA-N	244.378	4.673	0	10	BJAE	
C=C/C=C\CC[C@@H](NCC)C1CCC(CC)CC1	713749359	VMJWWZDJXYGWPS-QDESCDCYSA-N	249.442	4.703	0	10	BJAE	
CC(C)=CCCc1ccc(C2CC2)s1	716634943	YTIAARLFHRVHMN-UHFFFAOYSA-N	206.354	4.524	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@@H]1[C@H]2CCC[C@H]21	718634485	OXTNCTAGFZMGPL-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1CCCCCC1)C1(C)CCC1	720772229	SNOPONKLNZXCAY-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCCC=C(C)C	720919395	NFIIAIKJYSATNW-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCC[C@@H](CC)S[C@H](C)CC(C)C	1459060954	GGYIQLPKTOOOCK-VXGBXAGGSA-N	202.407	4.733	0	10	BJAE	
C(=C\c1ccccc1)\CCSC1CCCC1	1652424533	CZJCXZWJOPABKV-POHAHGRESA-N	232.392	4.766	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@@H](C)C(C)(C)C	1900595430	YRDSPZWRZZHBKY-UKRRQHHQSA-N	227.436	4.602	0	10	BJAE	
CC1(C)CC[C@@H](CCCC(=O)C(C)(C)C)C1	1902294430	AYWADBPCYRIENP-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC[C@@H](CC)CN(C)c1cccc(Cl)c1	1905306780	WUYQAZHIXCVZQE-GFCCVEGCSA-N	239.790	4.603	0	10	BJAE	
CCC[C@H](CC)CC(=O)CCC[C@@H]1C[C@H]1C	1905391572	QHDRMJIAFGJJEW-HZSPNIEDSA-N	224.388	4.598	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1sc(C)cc1C	1905454727	UUVADZYOAAEGBT-STQMWFEESA-N	239.428	4.581	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@@H]1C[C@H]1CCC	1910750115	XXIWNFQFELYTIG-PMPSAXMXSA-N	239.447	4.619	0	10	BJAE	
CCC=CCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1	1911971648	SVFJBGHRLQEEJV-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@@H](O)CCC=Cc1ccccc1	1912107017	TZPHJFBKDNMFAV-INIZCTEOSA-N	246.394	4.667	0	10	BJAE	
CCCN[C@@H](CCCF)C[C@@H](CC)C(C)(C)C	1913240941	FTMBGFPPZDLKIN-KGLIPLIRSA-N	245.426	4.567	0	10	BJAE	
CCCCCC[C@@](C)(O)c1cccc(CCC)c1	1919974089	ONZPGBGIAWYPHM-QGZVFWFLSA-N	248.410	4.817	0	10	BJAE	
CC(C)C[C@](O)(CCC(C)(C)C)c1ccccc1	1920031697	YTBWMIHYCHCETF-QGZVFWFLSA-N	248.410	4.747	0	10	BJAE	
CCCC1CC([C@@H](C[C@H]2C=CCCC2)NCC)C1	1921288248	UDMDDSRJZYAMCO-ZGRYLRDCSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](CC[C@@H]2CC2(C)C)C1	1921418763	ISZVIHHUBPKWGW-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CCNC[C@](C)(C[C@@H](C)CC)C1CCCCC1	1924117003	VDNHYRAWVAOOPO-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)=CCCC(=O)c1cc(C)ccc1Cl	1925513181	PQUWLMCLYNTJPE-UHFFFAOYSA-N	236.742	4.578	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](NC[C@@H]2C=CCCCC2)C1	1925819512	LJNKEPSZBLIAOM-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@H](CNc2ccc(C3CC3)cc2)CCCC1	1925886985	ASJZBTWRXSYIAD-AWEZNQCLSA-N	241.378	4.722	0	10	BJAE	
NC1(C[C@@H]2C=CCCCC2)CCCCCCC1	1925944484	ZWSLDXZRHMNFCP-OAHLLOKOSA-N	235.415	4.565	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)c1ccsc1Cl	1928717945	JENLIJLJCOIKQE-ONGXEEELSA-N	246.803	4.507	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)c1csc(C)c1	1937275750	BBXBRJQYRHSTFL-WCQYABFASA-N	239.428	4.533	0	10	BJAE	
CCCC[C@@H](CC[C@@H](C)CC(C)(C)C)NC	1939121630	CQSZIPYYCXVXPX-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1CCCC(C)(C)CC1	1939900162	OFKNHTQNKUVRND-KGLIPLIRSA-N	226.404	4.534	0	10	BJAE	
CN[C@@H](CCC=C(C)C)[C@H](CC(C)C)C(C)C	1941265620	XHHRXJGMSNCIQD-CVEARBPZSA-N	239.447	4.639	0	10	BJAE	
CC(C)CCC[C@H](O)[C@@]12CCCC[C@@H]1CCC2	1944147332	SMNIQBKBMDZGOP-OWCLPIDISA-N	238.415	4.534	0	10	BJAE	
CCCCCCC(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944198939	JHVMEPQWPOMHDP-FICVDOATSA-N	238.415	4.988	0	10	BJAE	
CCCNC[C@]1(CCC(C)C)CCCC1(C)C	1944481310	RPEBLGJVXRJSQQ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
C[C@H](C[C@@H](O)C(C)(C)C1CCCC1)C(C)(C)C	1944611584	XAPFWVZKXFHKBC-TZMCWYRMSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C1CCCC1)[C@@H](N)CCCC1CCC1	1944635477	RJAUDXNQNZAALL-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)c2sccc2C2CC2)C1	1945601899	YIPBJELFVTZJEJ-LLVKDONJSA-N	248.391	4.635	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@@H]1CCC1(C)C	1945746195	FUDPYODAJZQHBU-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@]1(N)CCCCCCC1(F)F	1947302496	VAXUJFDTMCVXNN-ZDUSSCGKSA-N	247.373	4.644	0	10	BJAE	
C1=C[C@H](CC[C@@H]2CCCc3ccccc32)CC1	1947553387	XPZZQMAWYDZJAT-HOCLYGCPSA-N	226.363	4.853	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@]1(CC)CC1(F)F	1948109195	MAHJAUDMIUBQFL-YPMHNXCESA-N	246.341	4.597	0	10	BJAE	
CCC(C)(CC)[C@]1(O)C[C@@H]2CCCC[C@]2(C)C1	1948586541	NQWNAUYQURSUPC-LZWOXQAQSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(N)C[C@H]1CC2CCC1CC2	1949017160	XQWSHMLLJYRMBW-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@](N)(CC)CC1CCCCC1	1949085430	DSWRYFIBAADDPU-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CCC(C)(CC)[C@H](N)[C@H]1CCC2(CCCC2)C1	1949596914	REWGZUCOPJRYRT-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCC(=O)CC1CCCC1)CC(F)F	1949858311	XAGZJYPRNIFBKF-NSHDSACASA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](C=C1CCC[C@H](CCN)C1)CC	1950487549	YYHCRWKRQSGKBX-LSDHHAIUSA-N	237.431	4.668	0	10	BJAE	
CC=CCCc1ccc(OCCC)cc1CC	1951308252	CKNBFIFPUACVMZ-UHFFFAOYSA-N	232.367	4.547	0	10	BJAE	
CCC1(CC)CCC(Nc2ccc(F)cc2)CC1	1968255293	UZOJCFLOLWGRKF-UHFFFAOYSA-N	249.373	4.987	0	10	BJAE	
CCCCC1CC(Nc2ccc(SC)cc2)C1	1968456412	ITYSWUQJPZVZKW-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CC(C)[C@@H](C)N[C@H](c1ccccc1)C1CCCC1	1969087391	RXBZZYVRTNYCPM-RHSMWYFYSA-N	245.410	4.552	0	10	BJAE	
CCCC(CCC)CN[C@@H](C)C(CC)CC	1969176778	JYJSANHIZXFGDF-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](NC2CC3(CCCC3)C2)C1	1972913913	JLFQOVPBOQVDLP-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CCCCCNc1ccccc1SCCC	1975963625	BXRZBDCGJUKFAD-UHFFFAOYSA-N	237.412	4.791	0	10	BJAE	
CCCC(O)(CCC)[C@@H]1CCCC(C)(C)C1	1978327962	GPBIYZQPNMEVBB-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCCC(=O)c1cc(C(F)F)cs1	1978424458	GRKXHXADOQPOCV-UHFFFAOYSA-N	246.322	4.695	0	10	BJAE	
CCCC(C=C(CC)CNC(C)C)CCC	1981294207	QZEBJCGCMQUUDH-UHFFFAOYSA-N	225.420	4.537	0	10	BJAE	
CCCC[C@@](C)(N)CCC(C(C)C)C(C)C	1988265429	XWRUYSILEHKGST-OAHLLOKOSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H](C)Cc1csc(C2CC(C)(C)C2)n1	1995453400	PVMPAUHJVWJTMQ-SNVBAGLBSA-N	237.412	4.635	0	10	BJAE	
CCCN[C@H](CC[C@@H]1CC[C@@H](C)C1)CC(C)C	1996262673	FYMZBCLMMWZSJV-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@H](N)C[C@H]1CCC=CCCC1	1999992432	VIHJCZPKPGLJPY-GJZGRUSLSA-N	237.431	4.667	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC(C)(C)C(C)C	2000193090	GACNPJMVZVGPLV-KBPBESRZSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@](C)(CNCCC)CC1=CCCC1	2000520342	JSDRZKGEIDPOBS-INIZCTEOSA-N	237.431	4.683	0	10	BJAE	
C[C@H](C[C@H]1CCCCCCC1=O)CC(C)(C)C	2003120564	ZXLAHZSTCKKFRZ-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CC[C@@](N)(CC1CCC2(CC1)CC2)C(C)(C)C	2003218354	QHMPOERWCZODKF-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C(=O)C[C@H]2CCC3(CC3)C2)c(C)s1	2003286582	DXRNXNDJJUOBMV-GFCCVEGCSA-N	248.391	4.518	0	10	BJAE	
C[C@H](C[C@@H](N)C1(C)CCCCCCC1)C1CC1	2004921955	BSUDXABPQFHNSF-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@@H]2CCCC23CCC3)s1	2005599103	XUXVGZJWZJRTDU-LBPRGKRZSA-N	248.391	4.518	0	10	BJAE	
CC[C@@H]1CC(=O)C[C@H](C[C@H]2C=CCCCC2)C1	2006660465	GZPKKGZCSQXPJO-KKUMJFAQSA-N	234.383	4.518	0	10	BJAE	
CN[C@@H]1C[C@H](CCCCCC(C)C)CC[C@@H]1C	2006949614	UXLDOEIONYTMDD-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC=C(C)[C@H](CC1CCCCCC1)NCCC	2007865311	ZKYNTNPYLDNGCA-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
C/C=C/CCC[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	2009575369	ZFYDTEGKUPFNMO-IHDARNGBSA-N	236.399	4.764	0	10	BJAE	
CC=CCCC[C@@]1(CNCC)CCC[C@H](C)C1	2009617829	WRDRRTUAWNPNTR-JKSUJKDBSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@@H]1N[C@@H](C)C[C@@H]1C(CCC)CCC	2009774788	UUQJZSMZFVOLJN-IMJJTQAJSA-N	239.447	4.760	0	10	BJAE	
CCCCCC1CC(N)(CC2CC(C)(C)C2)C1	2009790728	BFZAHPPJQJSADY-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC=C(C2(O)CCCCCCCC2)CC1	2010612799	NWAHEGLHGYIMMC-CQSZACIVSA-N	236.399	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](N)C1=CC[C@H](C(C)C)CC1	2010715217	KOVMZHADPNMUIN-DZGCQCFKSA-N	237.431	4.523	0	10	BJAE	
CCCC(CCC)[C@@H](N)CC[C@@]12CCC[C@H]1C2	2011012791	ZIESDDLLAUKQIH-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)CC(=O)CC1CC(=C2CCC2)C1	2011067813	KPVKYHSOFNPRFR-UHFFFAOYSA-N	234.383	4.662	0	10	BJAE	
Clc1ccccc1N[C@H]1CCCCCC12CC2	2011272806	VNIIUQXPEHYHPG-AWEZNQCLSA-N	249.785	4.865	0	10	BJAE	
C/C=C/CCCNc1ccc(C(C)(F)F)cc1	2012747760	DHFHYLWGFRMEDK-ONEGZZNKSA-N	239.309	4.567	0	10	BJAE	
CC(C)C(C[C@]1(O)CCC[C@H](C)CC1)C(C)C	2015284904	ROOGDINWPYQZHE-HOCLYGCPSA-N	240.431	4.636	0	10	BJAE	
CN[C@H](C[C@@H](C)C(C)C)[C@@H](CC(C)C)C(C)C	2015292031	XGYPMYGWCBVOAB-OWCLPIDISA-N	241.463	4.575	0	10	BJAE	
CCNCC1(CC(C)=C(C)C)CCC(C)CC1	2017465608	HOGCKXAXFXHVGZ-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
CC(C)=C(C)[C@@]1(N)CCC[C@@H](C(C)(C)C)CC1	2017472354	JEUWZFYHDYUOPV-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@@H](O)CCCC2CC2)CC1	2017662392	JCXWCQXPKPJNHE-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)C[C@H]1CC[C@H](C)CC1	2017711892	IUCMAGHZUAGPPU-YHUYYLMFSA-N	240.431	4.636	0	10	BJAE	
C[C@H]1CC[C@H](CC[C@@H](O)CC2CCCC2)CC1	2017716599	MSPAJBWWPRFQAC-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCC1CCC(CC[C@](C)(O)C(C)C)CC1	2017718428	BEFBKPPZILXCPB-GPANFISMSA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@@](C)(N)CC1CCC(CC)CC1	2017739574	UKSUKWQJWQFRJP-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](O)CC2(C)CC2)CC1	2017774128	KNDMOHGPOOBMQI-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC)Nc1cc(F)ccc1C	2018139479	SDDAXTRHRSJDJI-CQSZACIVSA-N	237.362	4.905	0	10	BJAE	
CCCC1(C[C@H](O)C2(C(C)(C)C)CCC2)CC1	2018971332	YIXBXESSJPOZRN-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CN(C)CC1CCC(C)(C)CC1	2019224544	GHWGXKIKPPDOAK-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCCN(CC1CCC(C)(C)CC1)C(C)(C)C	2019226962	NZDFYDDVHCFPCN-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CCCCCCN(C)[C@H](C)C1CCC(C)CC1	2019291495	PRVTWOBVJXZYJL-HWOWSKLDSA-N	239.447	4.713	0	10	BJAE	
CC1(C)CCC[C@H](CC2CCC=CCC2)C1=O	2020393245	SFNDUEWJJYUBAW-CQSZACIVSA-N	234.383	4.518	0	10	BJAE	
CCCC(CCC)Nc1ccccc1C1CC1	2021025744	BBNGDBVMHGFSSX-UHFFFAOYSA-N	231.383	4.945	0	10	BJAE	
CCC[C@H](O)CC[C@H]1C[C@@H]1C1CCCCCC1	2022527954	DLOFYASHPRMZOL-HRCADAONSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(C(=O)[C@]2(C)C=CCCC2)ccc1Cl	2022726803	FOBZFUNDGFKQRR-OAHLLOKOSA-N	248.753	4.578	0	10	BJAE	
CCc1cc(F)ccc1N[C@H](C)C(C)(C)CC	2023450652	PCANZXQBSONMPN-LLVKDONJSA-N	237.362	4.625	0	10	BJAE	
C[C@@H]1CC[C@@H](C[C@H]2CCCC(C)(C)C2)CC1=O	2024091434	IOAMDZQFQPCNRJ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CN[C@@H](CC=C(C)C)C[C@@H]1CCCC(C)(C)C1	2024091678	KJOXZBOHLQYKHN-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](N)(C[C@@H]1CCCC(C)(C)C1)C1CCC1	2024094944	NULJQFOEYZWCEY-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1CC(C)(C)C1(C)C	2025011532	RRUMGUYCJURXFA-KBPBESRZSA-N	239.447	4.760	0	10	BJAE	
CSc1ccccc1N[C@@H]1CC[C@H](C(C)C)C1	2025573875	AMGVNFSGHRPAGE-QWHCGFSZSA-N	249.423	4.645	0	10	BJAE	
CCCN[C@@H](C[C@@H]1C=CCCC1)C1CC(C)(C)C1	2035576493	PZBIQCMSHRZJCF-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(N)(C1CCC1)C1CCC1	2037179542	OGZNJIMHXWGLKD-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
CCCC1([C@@H](N)c2cccc(C3CC3)c2)CCC1	2037203667	KLKKNKZKCFGTEN-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)CC2CC3(CCC3)C2)C1	2037974050	GYOJGAAMLXFNJG-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)CC2CC3(CCC3)C2)CC[C@H]1C	2037976709	NYFCUGHDVGPVJF-IPYPFGDCSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC1(C)C)c1ccccc1	2038139886	YXQJAJUUTIEVRZ-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
C[C@](O)(CCCC1CCCCC1)c1ccccc1	2038168893	WLVCOBBZEJUYIB-KRWDZBQOSA-N	246.394	4.645	0	10	BJAE	
CCC[C@H](N[C@@H]1C=CCCCC1)c1ccccc1	2039031789	HXFMRJOJYNNBBY-SJORKVTESA-N	243.394	4.616	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1[C@@H](N)C[C@@H]1CCC[C@H](C)C1	2039433984	GJUUNWVDQDKRCT-BTYMGIQYSA-N	249.442	4.523	0	10	BJAE	
CC[C@](N)(C[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1	2040681819	WSGHKWHPEYZCAK-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@]1(C)CN[C@H]1CCCC2(CCCCC2)C1	2040765321	OSGXHQXYEDUTOX-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1[C@@H](N)C[C@@H]1CCC=CCCC1	2045306016	UZODFUIHMGHXBV-WBVHZDCISA-N	243.394	4.521	0	10	BJAE	
C[C@@]1(C(=O)C[C@@H]2CCC=CCCC2)CC=CCC1	2045309939	LMKISGNUOQLQIF-NVXWUHKLSA-N	246.394	4.829	0	10	BJAE	
Cc1cccc(OC[C@@H]2CCC=CCCC2)c1C	2045313570	AFLVJRCICNBGEO-MRXNPFEDSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCC=CCCC2)C[C@H]1N	2045325181	BZEAQPOYJYLOPV-ARFHVFGLSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](CC[C@H](O)c2ccccc2)C1	2045365474	QTIZZVZTRAWDSJ-ZBFHGGJFSA-N	246.394	4.717	0	10	BJAE	
CC(C)C(C)(C)CN1CC[C@@H](C)c2ccccc21	2046578359	BJSVIOOGRYBERY-CQSZACIVSA-N	245.410	4.682	0	10	BJAE	
N[C@]1(C2=CCCCC2)CCCCC12CCCCC2	2047561424	IDSLHXXEYFAOAG-KRWDZBQOSA-N	247.426	4.709	0	10	BJAE	
CC(C)NC[C@]1(CCC2CCC2)CCC12CCC2	2047934812	DUHODQIPZZUBCX-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@H]2CCC23CCC3)C[C@H]1C	2047934970	GBQZZKUHMXLFCI-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
C[C@H](NCC1CCC=CCC1)[C@H]1CCC[C@@H](C)C1	2049542847	HJSOUSKPSWLTIA-VYDXJSESSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@H]1CC[C@H](C)CC1	2049638659	RTOZCCISUGSVQZ-XIRDDKMYSA-N	245.410	4.554	0	10	BJAE	
CC1(C)CC[C@@H]([C@@H](N)CC2CCC3(CC2)CC3)C1	2049850001	UWHDWQLFQZSPJT-CABCVRRESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@](N)(C[C@H]2CCCC3(CC3)C2)CC1	2049854215	IZFNHTPRRQRKCW-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](NCC1(C2CCC2)CC1)C1(C)CCCCC1	2051912758	XLOAAPUBPRLMLJ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)CNc1cc(C)ccc1OC	2052172103	FZOMBWBLHOTJDF-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
CN[C@@H](C1CCCCC1)[C@H]1CCCCC12CCC2	2053413597	UXFPPQCDQNMPJH-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)CNc1cnccc1C(C)C	2053853537	JUYJVUNYLSAZAT-UHFFFAOYSA-N	248.414	4.833	0	10	BJAE	
C[C@@H]1CCC[C@@H]1N(C)C1CC2(CCCCCC2)C1	2055268384	BVENMYGGSYRJCR-ZBFHGGJFSA-N	249.442	4.610	0	10	BJAE	
C[C@@H](NCC1(C)CCC(C)(C)CC1)c1ccoc1	2056539273	HWWPWDYQZXNSIM-CYBMUJFWSA-N	249.398	4.537	0	10	BJAE	
CC1(C)CCC(C)([C@@H](N)C2=CCCCCC2)CC1	2056556408	IAGVCWIZYWILTG-HNNXBMFYSA-N	249.442	4.811	0	10	BJAE	
CC1(C)CC(C[C@H](N)C2(C)CCC3(CC3)CC2)C1	2056557428	UHBSEGGOQHBZPL-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CC2CC(C3CC3)C2)C1	2056665651	GLXWNLMWQVPIQK-JMVNKWJPSA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(NCC2CC3(CCC3)C2)C1	2059398162	RIHFLRUAPYBTKO-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](CC2(C)CCCC2)NC)CC1	2061141220	UCNASDVUWXVTFO-GDBMZVCRSA-N	249.442	4.681	0	10	BJAE	
CC(C)(NCC[C@]12CCC[C@H]1C2)C1CCCCC1	2061571975	OADUGBKKOWIMTK-RDJZCZTQSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@]1(N)CC1CC(=C2CCC2)C1	2061704887	WJFXWJYCOLIUMP-DLBZAZTESA-N	247.426	4.565	0	10	BJAE	
CCN[C@@H](C1CC(=C2CCC2)C1)[C@@H](C)CC(C)C	2061735209	WCZKGCQPODPURL-SUMWQHHRSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCC[C@@H]1C[C@H]1C)CC1=CCCCC1	2062645507	GBYKTMBFZIHRKK-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CCC[C@H]1C(=O)CC1CC2(C1)CC(C)(C)C2	2063209003	RJJDDTIPVGJTIA-GXTWGEPZSA-N	248.410	4.598	0	10	BJAE	
O[C@]1(CCC2CCCCC2)C=CCC2(CCC2)C1	2063685634	YUNCDCRGBXZFND-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C23CCCC2CCC3)C1	2063829665	HSNDHTLFUCJSTA-HLUWQOEYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@](N)(CC23CCC(CC2)CC3)C1	2065337978	CWTBBMCMANAGSV-BDVYOWHSSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](c2cccc(C3CCC3)c2)N1	2066376807	ZARVYAZOLNVGNP-SJORKVTESA-N	243.394	4.547	0	10	BJAE	
N[C@H](CC[C@@H]1C[C@@H]2CC[C@@H]2C1)CC1CCCCC1	2068772041	TXOHMWDCTIZFRS-YYIAUSFCSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@H](N)C[C@H]2CC23CCC3)CC1	2069200891	JUZXFDQGMIQPBN-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
CCCOc1ccccc1NC[C@@H](CC)C(C)C	2070275399	ZUAOWMHKQDGLNI-CQSZACIVSA-N	249.398	4.570	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1CCCC2(CC2)C1	2070304397	NPMAAIXAJOPUSO-CVEARBPZSA-N	249.442	4.811	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@H]1CCC=CCCC1	2070306147	YBEIBLZCOFBZNF-IRXDYDNUSA-N	249.442	4.977	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@@H]1CCCCCC12CC2	2070398987	OSIBJWHOSLPWMY-HZPDHXFCSA-N	249.442	4.824	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@H](N)C[C@H]2CC[C@H](C)CC2)C1	2072792853	DVXWUZOZOXFAMU-XSIBGMEISA-N	249.442	4.523	0	10	BJAE	
CCCC1CCC(C[C@]2(N)CC[C@H]3C[C@@H]3C2)CC1	2072806147	JHVHTNHZATVITD-IRKLFDGPSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC(C[C@@]2(CN)CCC23CCC3)CC1	2072809379	NJYFIACQVUEVSA-VMBOVVBDSA-N	249.442	4.502	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C(C)[C@@H]2CCCNC2)CC1	2072822264	SNRWATPXFDCNCG-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
CCCCc1ccc(C(=O)[C@@]2(C)C=CCC2)cc1	2077931524	ZGYWAWOODKNOSP-KRWDZBQOSA-N	242.362	4.568	0	10	BJAE	
CC[C@H]1C[C@@H]1C=C(CNC(C)C)C1CCCCC1	2079265491	QVMIGNYAKZGFEA-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1CC(=O)C[C@@H](C)c1ccccc1	2079867603	VJZYNCUPPGVILM-BMFZPTHFSA-N	244.378	4.576	0	10	BJAE	
CCC[C@H]1C[C@@H]1C[C@H](N)c1ccccc1C(C)C	2079886668	PYJUOJJQWXNYKS-VBQJREDUSA-N	245.410	4.636	0	10	BJAE	
CCN[C@H](C=C1CCC1)c1ccccc1C(C)C	2080249823	QVGJHAVIKNBXSG-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCCN[C@H](C=C1CCC1)C1CC(C(C)(C)C)C1	2080251684	IVCDBLCECFDPJQ-UYSNPLJNSA-N	249.442	4.537	0	10	BJAE	
Cc1csc(C(=O)[C@@H](C)CCC(C)C)c1C	2210577131	IALFPZGYMAMRTA-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
CC[C@@H](CCCC(C)(C)C)CN[C@H](C)CC	2212583499	GQOQAFBSHBLNAJ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC1([C@@](C)(N)CCCCCCC2CC2)CCC1	2213572723	ZPHLIQNVXXEIKF-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](CCCCCCC2CC2)N1	2213576413	PLXWIJLDPCZBSA-CVEARBPZSA-N	237.431	4.658	0	10	BJAE	
Cc1csc([C@@H](N)C2=CCC(C)(C)CC2)c1C	2213649980	IDJAYTPZQWKNMB-ZDUSSCGKSA-N	249.423	4.501	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)CCCCC1CC1	2214572197	BCXFNXGZXWGHLA-CVEARBPZSA-N	239.447	4.747	0	10	BJAE	
CC(C)C1(CC[C@H](N)C2CCCCC2)CCC1	2214765004	CYSOAPFBIGKBTA-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H](N)C2CCCCC2)C1	2214777371	RDSOGZVUEYCDFW-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)CC1(C)CC(C)(C)C1	2215393176	KTMJBLBFVCOYRJ-CHWSQXEVSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CCC[C@H](C(C)(C)C)C1	2216256795	JFLQVJWIJLMCIZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
N[C@@H](CCC1CCCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1	2218351718	QUVMKCZFWQLXLT-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(O)c(-c2ccc(CC(C)C)cc2)c1	2218642752	XMTQJRPLSQXWPE-UHFFFAOYSA-N	240.346	4.566	0	10	BJAE	
CN[C@H](C/C=C/c1ccccc1)CCC(C)(C)C	2219080099	GEBJPAGLWSJZBG-YCABEKBOSA-N	245.410	4.504	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCN1CCCCC12CCCCC2	2220991261	KYTGQGXREBTOCF-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCC1CCC([C@@H](N)C2(C)CC3(CCC3)C2)CC1	2221003688	DSGHMRONVYKSCQ-YMAMQOFZSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@](C)(N)[C@@H]2CCC2(C)C)CC2(CCC2)C1	2221021806	AKQIUXNMYLOGMA-CZUORRHYSA-N	249.442	4.501	0	10	BJAE	
CC1(C[C@@]2(N)CCCCC2(C)C)CC2(CCC2)C1	2221042552	YCNRHQKVCAPNNV-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CC2(C)CC3(CCC3)C2)CC1	2221085880	KTEDVVGYLPEZHK-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C(CCCNC[C@@]12CCC[C@H]1C2)CCCC1CC1	2223151656	DJNUUGZONUFWMK-IRXDYDNUSA-N	249.442	4.517	0	10	BJAE	
CCC[C@H](CC)[C@H](O)C[C@@H](C)CC(C)(C)C	2244778703	BLHHGBJCRBJUPE-HZSPNIEDSA-N	228.420	4.636	0	10	BJAE	
CCC[C@H](CC)CNc1c(C)cccc1Cl	2244804367	VMEVDAHMNNBASS-LBPRGKRZSA-N	239.790	4.887	0	10	BJAE	
CC1CC(C)(C[C@@H]2CCC(C)(C)CCC2=O)C1	2246530930	QVBLXMSBWPWDEU-UYJPIKCFSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](C)C(=O)CC[C@@H]1CCCCC12CC2	2246605239	CTQRCRPCJCBSOR-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCC[C@H](O)C(C)(C)C)C1	2246681417	VPIRVODQUFVIKJ-KFWWJZLASA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@](C)(N)CC[C@H]1CCC[C@H](C)C1	2246733054	PHEYPTWIABJZBV-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@@H](C)C(C)(C)C	2247457433	ROFQJPLNTUTKOU-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
O[C@@H](CC1=CCCCC1)CC1CCCCCC1	2247460751	FUOKXERPOYNKQZ-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@](N)(CC)CC[C@@H]1CCCC12CC2	2247604194	AEHCEAWTGZWEBN-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
O[C@H](CC1=CCCCC1)c1csc(C2CC2)c1	2248063294	JZBWOSWIXKVWNH-CQSZACIVSA-N	248.391	4.549	0	10	BJAE	
Cc1ccc(C(=O)C[C@]23CCCC[C@H]2CC3)s1	2251157274	HCYOCTJZTILMDS-SWLSCSKDSA-N	248.391	4.600	0	10	BJAE	
CC1(C)CC[C@@H]1CC(=O)[C@]12CCCC[C@@H]1CCC2	2254947338	USQZFOYRLXAMRB-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@@H]1CCNC2(CCCCC2)C1	2254968929	ORVMQYHIJUNHQB-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@@]1(CC2=CCCCC2)CC[C@@H](C)C1	2255098227	ALLFHNJLQHMDJS-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC1(C[C@H](N)CC[C@@H]2CCCC23CC3)CCCC1	2255277117	CZLRXQBLDVHVSR-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)CC[C@@H]1CCCC12CC2	2255311096	PXDLPODNHYJMNP-ILXRZTDVSA-N	248.410	4.598	0	10	BJAE	
CCCc1ccc([C@@H](N)CCCC2CCC2)cc1	2256294585	SYOFEJUBXVTEDO-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCN[C@H](CCC1CCCC1)[C@]12CCC[C@@H]1CC2	2260499883	HIDKVGHYRZWBQW-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@H](N)[C@@]23CCCC[C@@H]2CC3)CCCCC1	2260509188	UFSIHSFLSVFVIC-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCCCC(C)(C)Nc1ccnc(C(C)(C)C)c1	2260741054	WJQDNYUPULGWQY-UHFFFAOYSA-N	248.414	4.760	0	10	BJAE	
CC1=CC[C@@H](N[C@H]2CC(C)(C)CCC2(C)C)CC1	2261399522	BTLLXJHYSVGKSJ-CABCVRRESA-N	249.442	4.680	0	10	BJAE	
CC1(CN2CCCCCC2(C)C)CCCCC1	2298877036	XSQAVUKBHGIYIK-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
Cc1ccc(C(C)C)c2cc(C(F)(F)F)[nH]c12	2300644147	CACNSPGBRRVCJP-UHFFFAOYSA-N	241.256	4.619	0	10	BJAE	
CCC(CC)CCN1CCC[C@@](C)(CC)CC1	2300677040	VTLDZDIHSSGEIU-MRXNPFEDSA-N	239.447	4.715	0	10	BJAE	
CCC(CC)CCC(=O)CC12CCC(CC1)C2	2300681148	LVUZQHVVDYHMDG-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)CC[C@@H](NC)C(C)(C)C1CCC1	2300684238	RSEDKJMECRTYHJ-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)C[C@@H]1C[C@H]1CC	2300898673	HBXGKMGTPXLMFI-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1CCCC1(C)C	2300910418	ZLXBUIPYJOGQHL-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CC=C(C)CCCC(C)C)C(C)(C)C	2300937881	SHMJFPDLYZCVPY-HNNXBMFYSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@@H]1CC(C)(C)[C@H]1C	2302136395	SEVLXCUQOCFZMB-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)CCCCC1CC1	2302579748	MGVQPERUTAUAKS-GDBMZVCRSA-N	239.447	4.891	0	10	BJAE	
CCCC(N)(CCC)C[C@@H]1CC[C@H]1C(C)(C)C	2303470186	IOCZTVQGBPLPAB-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CNC)C[C@@H]1CCC(C)=C(C)C1	2303525776	PZRHDLXNBPCJIG-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)[C@]2(C)CC2(C)C)CC1	2303586011	ZAIMQMMZVPATMN-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](C)C(=O)CC[C@H]1CCC(C)(C)C1	2304415066	FPSUWYINWMETKM-KGLIPLIRSA-N	238.415	4.988	0	10	BJAE	
CC(C)CCCc1ccc(CC(F)(F)F)cc1	2307626855	RCTRHTZYASWISK-UHFFFAOYSA-N	244.300	4.770	0	10	BJAE	
CCC[C@H](CC)C[C@H](CCCC(C)(F)F)NC	2307908334	GSDIZJQLDNEDRC-STQMWFEESA-N	249.389	4.616	0	10	BJAE	
CCCC1CCC(C(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CC1	2309127684	JTMPDJJZDSMFTA-MTERUZRBSA-N	248.410	4.598	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@@]12CCCC[C@@H]1C2	2311144319	GVUSCFPSMSIGCS-IKGGRYGDSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C[C@@H]1C[C@H]1C1CCC1	2311500394	CNVARDMYZMXEFP-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@](N)(C[C@@H]1C[C@H]1C1CCCC1)C1CCC1	2311608306	DATORXVTPWHHBK-BHYGNILZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1	2312906302	XJVQURIVORDKCZ-APIJFGDWSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@@]23CCCC[C@@H]2CC3)C1	2313323697	IBJUPRWAJTWPKN-CPUCHLNUSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](CC1CC1)C1(N)CC2(CCC(C)(C)CC2)C1	2313611889	IFTLGSOSOOPDLV-ZDUSSCGKSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2317023662	ZZSZKKRIDYRPEW-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
Cc1cc2cc(F)ccc2n1CC1CCCCC1	2317573386	PFEUJLDORJYJPO-UHFFFAOYSA-N	245.341	4.669	0	10	BJAE	
CC(C)C[C@H]1CCN(CCCC2=CCCCC2)C1	2318593520	VRSCUFXDAVLVCN-QGZVFWFLSA-N	249.442	4.635	0	10	BJAE	
Cc1ccc(F)cc1C(=O)C[C@@H]1CCC(C)(C)C1	2319115223	JZQXFKKFPJCNPO-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
Cc1cc(C(=O)C[C@@H]2CC[C@@H]2C(C)(C)C)oc1C	2320309289	DDGLAFMAFRNMKZ-STQMWFEESA-N	248.366	4.542	0	10	BJAE	
CC1(C)CC[C@H](CCC2CCC3(CC2)C[C@@H]3N)C1	2321607163	CYFLUIHGIKJFKI-GWUWNPHMSA-N	249.442	4.501	0	10	BJAE	
C[C@]1(N)C[C@H]2CC[C@H]1C[C@@H]2CCCCCC1CC1	2327774288	QBKWOMPRILTWJG-YVSFHVDLSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C(C)C)N(C)[C@@H](C)c1ccccc1	5792982	BNEAHCZQSFXULG-RDJZCZTQSA-N	247.426	4.894	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)C2CCCCC2)c1C	19231366	NMQALNUVFCXQIF-KRWDZBQOSA-N	245.410	4.500	0	10	BJAE	
Cc1cc([C@H](C)Nc2ccc(Cl)cc2)c(C)o1	20438184	ICRQTYHXQKWSLF-JTQLQIEISA-N	249.741	4.723	0	10	BJAE	
Cc1cc(Cl)ccc1NC1CCCCCC1	21520761	IUXTYKPLXDKMBV-UHFFFAOYSA-N	237.774	4.783	0	10	BJAE	
CC(C)[C@@H](N[C@H]1CCCC[C@@H]1C)c1ccccc1	35016160	QCBFPRLZDFUENU-BHYGNILZSA-N	245.410	4.552	0	10	BJAE	
CCCCCCc1cscc1Br	35091519	MIPGHRJNTJLYPW-UHFFFAOYSA-N	247.201	4.633	0	10	BJAE	
Cc1cc(NC2CCCCC2)c(C)c(C)c1N=O	59379928	PCZDQQOIJKHXEW-UHFFFAOYSA-N	246.354	4.754	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)c1cc(C)cc(C)c1	68867206	OOUJCBLUCGLOBF-NVXWUHKLSA-N	248.410	4.943	0	10	BJAE	
CCCCCC[C@@H]1CCC[C@@H](NCCC)C1	70745323	ASXLIXJADBJGTH-HUUCEWRRSA-N	225.420	4.515	0	10	BJAE	
Cc1c(-c2ccccc2)sc2c(N)csc12	75465399	QODMMJAZIPJSBW-UHFFFAOYSA-N	245.372	4.520	0	10	BJAE	
C[C@@H](c1ccccc1)c1cc(Cl)ccc1F	75841632	PTOYPSWPSHQOOD-JTQLQIEISA-N	234.701	4.631	0	10	BJAE	
Cc1cccc(C(=O)C2CCC(C)(C)CC2)c1C	87941006	ZWTYLBGNAWKJIB-UHFFFAOYSA-N	244.378	4.703	0	10	BJAE	
CCCC1CCC([C@H](N)CC2CCCC2)CC1	87962597	QXMMCVXDTTVKSP-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C)c1cc2cccc(C(C)C)c2o1	88073221	SRIOKSBAPMYBIE-GFCCVEGCSA-N	245.366	4.617	0	10	BJAE	
C[C@@H](Nc1ccsc1)c1cc2ccccc2o1	90866673	RIWVFRUUNRRVJX-SNVBAGLBSA-N	243.331	4.667	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H]1CCC[C@H](C)C1	109733769	AKPVOUKIENGTCX-CAOSSQGBSA-N	239.447	4.747	0	10	BJAE	
CC[C@H](C)c1csc(-c2cscc2C)n1	132218006	DAALGKPXMNGTAY-QMMMGPOBSA-N	237.393	4.694	0	10	BJAE	
Cc1ccc2ccccc2c1-c1ccccc1C=O	160959732	RHMSBDYCDMXEFH-UHFFFAOYSA-N	246.309	4.628	0	10	BJAE	
CCCCCC[C@H](CNC(C)C)C(C)(C)C	162361648	OLYRKHMNXDWGRM-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCC(CCC)C(=O)c1cc(C)ccc1F	165355316	FNTHESGHVUHKFT-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CC(C)[C@@H](C)C(=O)c1ccc(C(C)(C)C)s1	165356674	DARJKQOPNAZPDZ-SNVBAGLBSA-N	238.396	4.520	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)c1cccc(C)c1C	165758036	DVWXLACWUXHWAY-HOCLYGCPSA-N	244.378	4.703	0	10	BJAE	
CCCN[C@@H](CCC)C(CC(C)C)CC(C)C	166056921	ZAEWSPBPRVVNJP-INIZCTEOSA-N	241.463	4.863	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCC2CCCCC2)C1	166240457	LNICAGROAJLEJC-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CCCC1CCC(/C=C\Br)CC1	200113087	UBZWTPZJGSQWHY-HJWRWDBZSA-N	231.177	4.502	0	10	BJAE	
CC(C)(C)c1cccc(NCc2ccccc2)c1	205282310	IOMWYOSRZQGEQT-UHFFFAOYSA-N	239.362	4.596	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@H]2CCCCC2(C)C)c1	226523887	NQYAARVYTYMLAY-OAHLLOKOSA-N	244.378	4.703	0	10	BJAE	
CC(C)Cc1ccc(C(=O)[C@@H]2CCC[C@H]2C)cc1	226525033	ICULXUSJLUYSCO-CZUORRHYSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H]1CCCC1(C)C	226810361	SZAKSMVOZKDZAK-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)[C@H](NC)c1cccc2ccsc12	228970745	IZOYLRQGVVVKHC-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)c1cc(C)ccc1C	229331921	OHMCZAPWKCICCS-YQQAZPJKSA-N	245.410	4.520	0	10	BJAE	
CCCN[C@H](c1cc(C)cc(C)c1)C(CC)CC	229498062	TXPOUJYTFGQCED-KRWDZBQOSA-N	247.426	4.780	0	10	BJAE	
CCCCCC[C@H](C)NCC(C(C)C)C(C)C	229528846	LQAPUVUDGHJWPL-HNNXBMFYSA-N	241.463	4.863	0	10	BJAE	
Cc1cccc(NCCCCCCC(C)C)c1N	232542376	XKAWJLLCNUVBQO-UHFFFAOYSA-N	248.414	4.596	0	10	BJAE	
CC1=C[C@H](C)C[C@@H](CNc2ccc(C)c(F)c2)C1	235403364	UUWKRHLWVQFRKS-SMDDNHRTSA-N	247.357	4.538	0	10	BJAE	
C[C@H](CCN)c1ccc(C2CCCCCC2)cc1	258455904	ZDXQNNUWFQQCJF-CQSZACIVSA-N	245.410	4.577	0	10	BJAE	
C[C@H](CNC(C)(C)C)[C@H](C)CCC1CCCC1	302238344	BRQFDGQMNGGOFM-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@@H](C)NC[C@H](C)CC(C)C)c(C)c1	305930369	JQNZAQQCTFYDSS-GDBMZVCRSA-N	247.426	4.636	0	10	BJAE	
C[C@H](CNCC1CCCCCCC1)C(C)(C)C	305956903	VZIVCEJRKJMEOL-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H]2/C=C/CCCCC2)cc1	306016753	PNNHHTQMESFHRD-UTDDRVLSSA-N	243.394	4.535	0	10	BJAE	
CCCC1(CCC)[C@H](CNC(C)(C)C)C1(C)C	306063968	ZVXAYAVIRDIKJJ-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(CN)(C2CCCCCC2)CC1	306069541	VWAVGHBXSAQLCA-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCc1cc2ccc(Cl)c(SC)c2s1	307234716	SFYWNGATGSCILQ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C1C[C@@H](C)C[C@H](C)C1	308051511	DQYCTUJOWZCNGG-MELADBBJSA-N	238.415	4.700	0	10	BJAE	
C[C@@H](CCCC(C)(C)C)[C@H](O)c1ccccc1	309993978	PPLLRSJBFYSOIP-ZFWWWQNUSA-N	234.383	4.573	0	10	BJAE	
CCc1ccc(N[C@H]2CC[C@@H](CC)C2)cc1C	310068016	IRRQBRHLSDGDOV-CJNGLKHVSA-N	231.383	4.548	0	10	BJAE	
C[C@H](C(=O)c1ccccc1)[C@@H]1C=CCCCCC1	310609329	AOAFKWQETVVGFC-LSDHHAIUSA-N	242.362	4.642	0	10	BJAE	
CCNCC1(CC(CC)CC)CCCCCC1	317335944	PZGKSBXEXLXYDK-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)NCC1(CC2CCC2)CCCCC1	318547517	LQBDBMZVHFZUCR-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@H](C)CC1)C1CCC1	322483758	UZGONTKHKYYGRC-IMJJTQAJSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](C[C@H](C)C1CCCCC1)[C@@H](C)CC	383943174	FHYSJHQUPGRXRR-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CC1(C)CCCC1)[C@H](C)C(C)C	384033944	TXJPUARSUOYYFB-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C1CC[C@H]([C@@H]2CCC[C@@H]2CCC2CCCC2)NC1	386003015	KYLVBNNCRFLNCU-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
O[C@H](CCC1=CCCCC1)CCC1CCCC1	386271284	MFQAVIDGTSBYRC-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)CCNc1cccc(OCC(C)C)c1	394405523	LSZAOFGNUZINAM-AWEZNQCLSA-N	249.398	4.570	0	10	BJAE	
Cc1ccc(C)c(NCC2(C)CCCCC2)c1	394661307	KWMGWZGMEGDHKQ-UHFFFAOYSA-N	231.383	4.686	0	10	BJAE	
CCCNC/C(=C\C(CC)(CC)CC)C(C)C	395127245	PBFKJPKRSHFAPO-NTCAYCPXSA-N	239.447	4.785	0	10	BJAE	
CCc1sc2ccc(SC)cc2c1CC	396169714	MCULUBITXBKWMV-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CN[C@H](CCCCCC(C)C)[C@@H](C)C(C)(C)C	399024246	GQQXDFKEOJBAPM-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](C[C@H]2CC=CCC2)NC)C1	402114191	AMEWNPVNCKDHOH-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
C[C@H](C[C@H](N)C[C@@H]1CC=CCC1)CC(C)(C)C	402245075	HRFIZEBIXCDPLI-KFWWJZLASA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H](c1cccc(C(C)C)c1)C1(C)CC1	688941137	WIYGBFJEADFLNK-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CCSc1cccc(N[C@H](CC)C2CCC2)c1	689682166	IHYIZHXLNZEJNO-OAHLLOKOSA-N	249.423	4.789	0	10	BJAE	
CCC1(CN[C@@H](C)CC2CCCC2)CCCC1	689805170	HMJJURAKMGICPC-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](Nc2cccc(C3CC3)c2)C1	690152461	NMTBJQRLXVAJGI-WBMJQRKESA-N	229.367	4.555	0	10	BJAE	
CCN[C@@H](CCCCCC(C)C)C(F)(F)CC	692363557	IXRAFNXAAFYJIE-ZDUSSCGKSA-N	249.389	4.616	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2CCC23CCCC3)c1	694403870	PGHPISOENNAWGO-MRXNPFEDSA-N	243.394	4.945	0	10	BJAE	
CC(C)CC1(C(=O)C[C@@H]2C[C@H]3C[C@H]3C2)CCCC1	698118925	YRWXJESVSQLEOE-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)[C@@H]1CCCC[C@@H]1CNC(C)(C)C	701145037	DXSMFLRWAJSLSN-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)[C@H]1CC[C@H](CC)CC1	701391894	LLANNCKHINPAFC-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CC[C@@]1(N)CCCC[C@@H]1C1CC1	704491508	MVEVZKDQRDBMBG-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(C(N)(CC(C)C)CC(C)C)c(C)c1	704907488	JOZNHAHLQDEEGN-UHFFFAOYSA-N	247.426	4.550	0	10	BJAE	
C[C@@H](C[C@@H](C)CC(C)(C)C)[C@H](O)c1ccccc1	709077101	QVMTYDYQHQTJSI-YCPHGPKFSA-N	248.410	4.819	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)C[C@@H](C)CC(C)(C)C	709129966	NVRRCNJFCPCPIF-ILXRZTDVSA-N	241.463	4.993	0	10	BJAE	
CCN[C@@H]1CC[C@](C)(C[C@H](C)CC(C)(C)C)C1	709195330	ZSKUGBIKSIXUKR-IIAWOOMASA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@@H](N)c1ccc(C)s1)C(C)(C)C	711213308	XVKIPTAMUCDZCH-NWDGAFQWSA-N	239.428	4.519	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)c1ccccc1C1CC1	711246554	PLHVJYOUKHHSEL-MRXNPFEDSA-N	246.394	4.814	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2C[C@H]3CCCC[C@H]32)c(C)c1	712414877	AIBWUAKNELVKMR-BZUAXINKSA-N	243.394	4.602	0	10	BJAE	
C=C/C=C/CC[C@@H](CC1=CCCCC1)NCCC	713741096	SPBULSBKSGSCIB-RTRPANQVSA-N	247.426	4.768	0	10	BJAE	
CCC[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]21)C1CCC1	714260541	WMUBWBAQTCOJQW-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CCNc1cccc(C(C)C)c1	718508121	WPZIAMFCYQICSO-UHFFFAOYSA-N	231.383	4.968	0	10	BJAE	
CC(C)=C(C)CCSc1ccc([C@@H](C)N)cc1	718527573	NAGIZBQHLMZTRI-CYBMUJFWSA-N	249.423	4.545	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CC2)C1)C1CCCCCC1	723561512	YNYUFUOCWQGERW-GOEBONIOSA-N	249.442	4.658	0	10	BJAE	
C1=C[C@H](N(c2ccccc2)C2CCCC2)CCC1	1167735238	WDISUYFAVBAZIV-INIZCTEOSA-N	241.378	4.544	0	10	BJAE	
C(=C\c1ccccc1)\CSCC1CCCC1	1559476889	IYFXHJJGIWYDCD-WDZFZDKYSA-N	232.392	4.623	0	10	BJAE	
CC(C)CCC[C@](C)(O)CCCC(C)(C)C	1900579588	GLCCXHFKQQWYFN-HNNXBMFYSA-N	228.420	4.780	0	10	BJAE	
CC(=O)[C@@H](CCCC1=CCCCC1)C(C)C	1901959930	LZRFAYWHFQMBQJ-HNNXBMFYSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](CC)c1nc([C@@H]2C[C@H]2C)cs1	1905259226	MFHIHYCBTWQXQS-GRYCIOLGSA-N	237.412	4.950	0	10	BJAE	
C=CC=CCCC[C@@H]1CCCCC1(F)F	1911781508	NYEOBKAZORKDPX-GFCCVEGCSA-N	214.299	4.724	0	10	BJAE	
CCCC[C@H](C=C1[C@H]2CCCN[C@@H]2C1(C)C)CC	1911824370	VJQFGQNHKFOWGX-FMKPAKJESA-N	249.442	4.537	0	10	BJAE	
CC(C)CCC[C@@]1(N)CCC2(CCCCC2)C1	1915903714	YWELHOFQICHZQR-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCC2(CCCC2)C1	1916439138	RLDPQKVKNGHBMQ-CQSZACIVSA-N	247.357	4.659	0	10	BJAE	
CCCC[C@@H](CC)C[C@]1(CNC)C=CCCC1	1916565731	UGDPYIFSQXYXCG-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@](O)(CC)c1ccccc1C(C)C	1919515394	OZWUHCRHXQJYIQ-MRXNPFEDSA-N	234.383	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)[C@]12CCCC[C@@H]1CCC2	1921445153	GKHAQFGXVKSFIW-KEYYUXOJSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](C(=O)CC1CCCCC1)C1CCCCC1	1924100044	MACSHLNVHBQBQF-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CCC(CC)C[C@@H](O)CC1(C)CCCCC1	1926384389	AKOZJASZELPGHE-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCC[C@H](CC)CC(=O)C1(CC)CCC1	1940110804	IVWHYLOPOJCPBK-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](CCC)NCCC[C@@H]1CC1(C)C	1940878354	VUFIHIBRTKYJLW-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC1(C)CCC(N)(CCC[C@@H]2CC2(C)C)CC1	1940881940	NVQLBUAVILTOON-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(F)c1cccc(N)c1	1940969197	XQEOILFBTYWMFW-OAHLLOKOSA-N	237.362	4.526	0	10	BJAE	
CC(C)C[C@H]1CCC[C@@](N)(CCC2CCC2)C1	1941471682	GAGBJGMIOQVDLA-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(NCCCCCC2CC2)cc1F	1941576965	MGJIFINSDIFXOW-UHFFFAOYSA-N	235.346	4.516	0	10	BJAE	
CCC(C)(CC)[C@H](CC1CCC=CCC1)NC	1941826141	NAFNJXPOUWOKNC-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CCC1CCCC1)[C@@H](C)CCC(C)C	1942653942	WDQICIVONCXUOI-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(C)C)[C@H](NC)[C@H](C)CCC(C)C	1942664813	ULRBJZSUBOVILM-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@@H](N)C(C)(C)C1CCCCC1	1944667143	ZMPRSCKMXLAGAB-GZBFAFLISA-N	239.447	4.602	0	10	BJAE	
C[C@@H]([C@@H](N)c1cccc2sccc12)C(C)(C)C	1945970088	KREFOGOWKDDSOQ-IINYFYTJSA-N	247.407	4.583	0	10	BJAE	
CCC[C@H]1CCC[C@@H]1Nc1ccc(F)c(C)c1	1947466326	TULIQKNWHWKNND-WFASDCNBSA-N	235.346	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](C[C@H]1C=CCC1)NCC	1947577233	SSBSMMDZYMNCBK-JYJNAYRXSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)CC1(CC)CCC1	1948981509	UGVOHJZEFSIGKY-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)CCC[C@@H]1CC1(C)C	1949055141	PNDJTFJQGWZMPY-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CC1=CCCCCC1)C(C)(C)C	1949827380	LPWQJPMKLIXYMP-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H](CC1CCC(CC)CC1)C(C)C	1949835373	UPEXKKGBEHZRBM-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CCSc1cccc(NCC2(C)CC(C)C2)c1	1950521092	DLQLBJZZGBUSEL-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
CCCC[C@@H](NCCC)[C@@H]1CC12CCCCC2	1950612747	NVMUBGNXHJSVMS-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC1([C@@H](CC2(C)CCCCC2)NC)CCC1	1951243512	IMTUSTDABKLYJE-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](C)c1nc(C(C)(C)C)cs1	1960044447	OONAIEVAPCADQL-SNVBAGLBSA-N	225.401	4.734	0	10	BJAE	
Cc1ccc(N[C@@H](C)C2(C)CCC2)c(Cl)c1	1968288965	GXFLWWYMZWZMIC-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
CCC(C)(C)CN(C)C[C@H](C)C1CCCCC1	1970736340	ILPHCUKNHUQIIJ-AWEZNQCLSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)C(C)(C)CCC	1976010085	HBZIJPLURHHSIF-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cc(C(F)F)cs1	1977080194	CULOKLAZZJTNLU-SNVBAGLBSA-N	247.354	4.512	0	10	BJAE	
CCC(CC)C(=O)C[C@H]1CCC=CCCC1	1978275476	XLGKFKVTTSLYGE-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@](C)(N)C1=CCCCCCC1	1978588474	LGIPQNYATJLTEP-HNNXBMFYSA-N	223.404	4.565	0	10	BJAE	
C=C=CCCC[C@@H]1CCC[C@H](C(F)(F)F)C1	1985447549	LUQWGUCEPRVZQC-NEPJUHHUSA-N	232.289	4.867	0	10	BJAE	
Cc1ccc(Cl)c(CC2CC(=C3CC3)C2)c1	1985531686	ZGDSERDZJFVTOJ-UHFFFAOYSA-N	232.754	4.691	0	10	BJAE	
CCC(C)(C)CCN[C@@H](C)CCC=C(C)C	1988788041	YLCNCLLAABFASQ-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCCCCC[C@](C)(N)CC1(CCC)CC1	1990640359	MQBYTUIXYSZVBY-AWEZNQCLSA-N	225.420	4.645	0	10	BJAE	
COc1c(Cl)cccc1CCC(C)=C(C)C	1994338065	MVFBZAHRYFYMPF-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
CC1(C)C[C@H](Nc2cccc(Cl)c2)C1(C)C	1994588129	OEWAEPHLNLIVPV-LBPRGKRZSA-N	237.774	4.577	0	10	BJAE	
CCCN[C@H](CCC)[C@@H]1CCCC2(CCC2)C1	1997043081	NSTPBOMSNJLWTO-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](C)C1CC(C)C1	1998649540	IZPODFVBEUBCBV-SHARSMKWSA-N	239.447	4.617	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)c1c(C)csc1C	2000295036	BVSFNIGFXCQCPO-ZWNOBZJWSA-N	248.391	4.540	0	10	BJAE	
CCCC1([C@H](CC2CCCC2)NCC)CCC1	2000377096	SQWRYBULKADWKL-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](CC)c1ccc(C=C(C)C)cc1	2001500204	XYNJGSXYPZDENP-INIZCTEOSA-N	231.383	4.561	0	10	BJAE	
CCCCCC[C@H](N)C[C@@H]1[C@H]2CCCCC[C@H]21	2002208834	XDWTVDPXEBUPDZ-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)C(=O)C[C@H]1[C@H]2CCCCC[C@H]21	2002228222	MKPFKHLPDRGYLD-BTTYYORXSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@H](CCCCNC(C)(C)C)C1	2002992740	FJCOPRUVFONVGN-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](CC1(N)CCCCCCCC1)C(C)(C)C	2003094576	GADQBAIOOUBZDP-AWEZNQCLSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CCC[C@H]1Oc1ccccc1C(C)(C)C	2006728355	UCZGEFOKUFDFQR-GXTWGEPZSA-N	232.367	4.552	0	10	BJAE	
CCCN[C@@H]1C[C@H](CCC(C)(C)C)CC[C@@H]1C	2006959804	WSAKULXFQZQYNN-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C[C@H](O)C=C1CCCCC1)C(C)(C)C	2007920745	LQHSPHHVWGHLDZ-HUUCEWRRSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@]1(O)CCC1(C)CC1	2009548044	MNOXHZQWOZVMBX-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CC=CCCCC(=O)[C@@H]1CCCC(F)(F)CC1	2009574820	FPNQPMYAWLDGRI-GFCCVEGCSA-N	244.325	4.518	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C(C)(C)C1CCC1	2009619963	PYPSSXGSGQWUQS-KEDPEKRHSA-N	237.431	4.537	0	10	BJAE	
CCCCC1CC(NCC(C)(C)C(C)(C)C)C1	2009713704	DXGPNVLBVBFKPX-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCC1CC(O)(CCC[C@H]2CC2(C)C)C1	2009713727	FMELAPWSTKEKHU-BBBYJDLNSA-N	238.415	4.534	0	10	BJAE	
CCCC1CC(N[C@@H]2CCCCC[C@@H]2CC)C1	2009788594	WYTOGGWRGUUGAP-BHDPWAOGSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC=C([C@H](N)c2cc(C)sc2C)CC1	2010730059	USJBRODFSJOZIX-WFASDCNBSA-N	249.423	4.501	0	10	BJAE	
CC[C@H]1CC=C([C@@H](N)c2sc(C)cc2C)CC1	2010735217	BQUIDJQTPRAARH-GXTWGEPZSA-N	249.423	4.501	0	10	BJAE	
CC[C@@](CCC1=CCCCC1)(CNC)C(C)C	2012417189	QVPSCTNRPNCTRI-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CCc1ccc(N[C@@H]2CC[C@]3(C)C[C@H]23)cc1Cl	2013055333	FALXVHQKVMHQKF-BPLDGKMQSA-N	249.785	4.503	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1C[C@H](C(C)(C)C)C1	2013710413	HQLMYKCORSXFRN-RBSFLKMASA-N	239.447	4.616	0	10	BJAE	
CC1(C[C@](C)(O)C2(C)CCCC2)CCCCC1	2014322890	GYFGFTZSLVWDMC-INIZCTEOSA-N	238.415	4.678	0	10	BJAE	
CC(C)[C@@H](C)C[C@H](O)C1(C)CCCCCCC1	2015278515	OUTRKMGFVXZXMQ-GJZGRUSLSA-N	240.431	4.780	0	10	BJAE	
CC[C@H]1CCC[C@@H](CCC(C(C)C)C(C)C)N1	2015344957	NCYJGEBPNGOYEE-GJZGRUSLSA-N	239.447	4.616	0	10	BJAE	
CCCC1(C[C@@H](O)C2(C)CC(C)(C)C2)CCC1	2015633072	FWMVFTGMBIVYPW-CYBMUJFWSA-N	238.415	4.534	0	10	BJAE	
CCCC1(C[C@H](NC)[C@H](C)CC(C)C)CCC1	2015645961	WCNZJPXOGINKBF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC1(C(C)(C)C)CCC1	2017111947	HUZQRPSMIBRUSN-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CCCNC[C@](C)(CC)CC1(C(C)C)CCC1	2017145968	NWOIBGXOPROMBL-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CCC1([C@@H](O)C[C@H]2CC[C@H](C)CC2)CCCC1	2017714824	GGACIOHAHRRODP-KKUMJFAQSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H]1CCC[C@@H](CC)C1	2018131002	QVPGNNRGGLVQEU-OWCLPIDISA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CC[C@H]2CC[C@H]1C2	2018131170	MZVLETXEOLAIHW-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC)N(C)CC1C[C@H](C)C[C@@H](C)C1	2019418378	CLDHYDLBPIKUEK-FMKPAKJESA-N	239.447	4.569	0	10	BJAE	
CCC[C@](N)(C[C@@H]1C=CCCCC1)C(C)(C)C	2019850125	QNKOGDXIAWRFHM-ZBFHGGJFSA-N	237.431	4.667	0	10	BJAE	
CCCN(CC(C)(C)CC)C1CCCCCC1	2020502477	UJGBCUGXVZGOFQ-UHFFFAOYSA-N	239.447	4.857	0	10	BJAE	
CCCCN(CC(C)(C)C(C)C)C1CCCC1	2020536539	ZBMRNWOEUAAAPO-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](CCCCC(C)(F)F)CC1	2023352144	CUOIKFXSJKTSCO-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@H]1C=CCCC1	2026082412	QGJJQYGFDHMMCR-CABCVRRESA-N	236.399	4.908	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)CCCC1(C)CC1	2026169544	JDTRWGOPKMWEJN-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
CCCC1([C@H](N)c2c(C)c(C)cc(C)c2C)CC1	2026879280	VTWJRKHXXYRLRC-MRXNPFEDSA-N	245.410	4.500	0	10	BJAE	
CCCCCC[C@]1(C)Nc2cc(C)cc(C)c2O1	2027857848	OEFCJYITYSNNKJ-MRXNPFEDSA-N	247.382	4.794	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)C(C)(C)C1CC1	2028099131	KVIXNCKYYLEOSH-GDBMZVCRSA-N	249.442	4.537	0	10	BJAE	
CCc1ccc(CC)c([C@@H](O)[C@@H](CC)C(C)C)c1	2028229078	FQTCGLQTTFKHLG-RDJZCZTQSA-N	248.410	4.527	0	10	BJAE	
C[C@H]1CC(C[C@@H](N)CC2=CCCCC2)C[C@H](C)C1	2031829452	UKAVBHKYJIXRJI-CPUCHLNUSA-N	249.442	4.667	0	10	BJAE	
CC1(CNc2ccccc2C2(C)CC2)CCCC1	2032242735	LRTXDNWSSBANPT-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
C[C@H](NC(C)(C)C1CCCC1)[C@@]12CCCC[C@@H]1C2	2033147433	OYVQIRRAHGXLCE-LXZKKBNFSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NCC12CCC(CC1)C2	2033452499	CCFRCQSVIFLABA-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)(C2[C@@H]3CCCC[C@@H]23)CC1	2033522560	IGXVGTMYERKBRG-KCYZZUKISA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)C1CCC(C(=O)C[C@@H]2C=CCC2)CC1	2035559079	FSZJHPYXUPTNCQ-WLYUNCDWSA-N	248.410	4.764	0	10	BJAE	
C1=C[C@H](CCc2cc3ccccc3cn2)CCC1	2035562222	ZVRZNSQPPDZJHY-AWEZNQCLSA-N	237.346	4.524	0	10	BJAE	
CC(C)(CNC1CC2(CCCC2)C1)C1CCCC1	2036534471	KLYKKVSCFBIPIK-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@@]1(N)CC1(C)CCCC1	2037105828	SLSVUEGAMZVXSB-WMLDXEAASA-N	249.442	4.811	0	10	BJAE	
Cc1cc(C)c([C@H](N)CC(C)(C)C(C)C)cc1C	2037126950	MGYISCRZVLYLBZ-MRXNPFEDSA-N	247.426	4.684	0	10	BJAE	
CC1(C)CCC([C@@H](N)CC2CC3(CCC3)C2)CC1	2038083330	OGGMAGKSWDOEDW-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
O=C(CC=Cc1ccccc1)CC1CCCCC1	2038165149	FBVVBJCKKYPGBQ-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
C[C@@H](CC1CCCCC1)NC[C@@H]1CCC2(CC2)C1	2038584131	TXSRCWQKAYCCIZ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1CCC2(CC1)CC(N)(CC[C@H]1CC1(C)C)C2	2038939217	AEYCLDSMYVIXBF-ZFBLFJJNSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H](C)C1CCC(C)CC1	2040634133	VTYHJZXDADSKBQ-QRMWWUJWSA-N	249.373	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H](C)c2ccoc2)CC1	2041374750	CWSSKGMYGMLFFK-RBSFLKMASA-N	249.398	4.537	0	10	BJAE	
CC(C)(C)C1CC([C@H](N)C2=CCCCCCC2)C1	2043007914	XCNVCCKMXNXXKO-UYSNPLJNSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@H]1CC[C@H]1NCC(C)(C)C1=CCCC1	2043671215	YQRAMJJNUUXDLH-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCC[C@]1(N)C[C@@H]1CCC=CCCC1	2045306657	BBSOOTAONJLWFG-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
CC(=C[C@@H]1CCC=CCCC1)C1CCC(N)CC1	2045316486	DYZQPVCRTURUEK-KLAILNCOSA-N	247.426	4.587	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1C[C@@H]1CCC=CCCC1	2045329358	NHKDAWGKMYGGDK-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@@H]2C(C)=CCC[C@@H]2C)C1	2045681665	BWOFCNNMMUMURP-XUWVNRHRSA-N	248.410	4.764	0	10	BJAE	
N[C@@H](CCC1CCCCC1)C[C@@H]1CC12CCCC2	2047007028	FQYSGKCBOLHASB-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CCC/C=C/CNC[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2047433978	GMLFDMHTXQRQEK-OJDMXYHGSA-N	249.442	4.539	0	10	BJAE	
CC[C@H]1CNCC[C@]12CCCCC21CCCCC1	2047566919	TXBDELMUYIBSPO-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)[C@@H]1[C@H]2CCCCC[C@H]21	2049214518	LHBLAPYBZCOENY-WBTNSWJXSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(C[C@H]2CCC3(CC3)C2)C1	2049849716	SKSSESLYOCCVGZ-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H](CCC1CC1)C[C@H]1CCCC2(CC2)C1	2049850728	ZVAQXMBRZAHWEQ-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)C[C@@H]1CCC2(CC2)C1	2049851887	CPRLSJXJKNMPDU-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](C[C@H]2CCCC3(CC3)C2)NC)CCC1	2049862258	XUKVQOWPZHRKMV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)COc1cccc2c1CCC2	2050413823	MGMSVRFVUMFFTL-AWEZNQCLSA-N	246.394	4.771	0	10	BJAE	
Cc1ccccc1[C@H](N)CCCC1=CCCCC1	2050448573	DLXPLEGKTQDRIL-QGZVFWFLSA-N	243.394	4.666	0	10	BJAE	
CC(C)c1ccc(N[C@@H]2CCC[C@H]3CC[C@H]32)cc1	2052285826	CUXLQDXQDJKNEN-USXIJHARSA-N	243.394	4.801	0	10	BJAE	
CC1=C[C@H](N[C@H](C)C2CCC(C)(C)CC2)CCC1	2055547846	WMMYFPGFRBWFPI-GDBMZVCRSA-N	249.442	4.680	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	2056537332	KMXBMXPYPGSVDP-VXSWHIBVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)[C@]1(C)CC1(C)C	2056873756	QJVDNHOOYUTNMT-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@@H]1C[C@@H]2CCC[C@H]21	2059224779	FSLMKHXQOCCWNK-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C(C[C@H](N)CC2CCCCC2)CC1	2061143846	MVPGHDILOOHEHN-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](C1=CC[C@H](CC)CC1)C1(CC)CCC1	2061147862	QOQIFNMOEZGJGF-HOCLYGCPSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C1CC(=C2CC2)C1)[C@H](C)CCC(C)C	2061647263	OOOHTDRLNFVRGB-DYVFJYSZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC1CC(=C2CCC2)C1)C(C)(C)CC	2061727668	ABRRGCLFMAKXOA-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C(=O)C1	2063539931	CSERYPMPUYVXGR-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(=O)C[C@H](C2CC3(C2)CC(C)(C)C3)C1	2063818658	UYQRUHOSOBVLAK-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
C[C@H](NC1CC2(C1)CC2(C)C)C1(C)CCCCC1	2064113060	ITOSIURWIVYDLD-CBCUQQMYSA-N	249.442	4.514	0	10	BJAE	
C[C@H](NCCC1(C)CCCCC1)C1CC2(CC2)C1	2064490006	VSVZNIYYDFUNPF-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC23CCC(CC2)CC3)C1	2065279112	GJNCYHGBIQUQNY-BOLLXYOYSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H]1CCC[C@H](CC23CCC(CC2)CC3)C1	2065340331	VKXPTNASZRURJE-YZUHTNEWSA-N	249.442	4.515	0	10	BJAE	
CC1(F)CC(CNc2cccc(C3CCC3)c2)C1	2065829820	OVLZDRKISNITGD-UHFFFAOYSA-N	247.357	4.504	0	10	BJAE	
C=CC=CCCC(O)(C1CCCC1)C1CCCC1	2065925159	AHLWMSNSBURJKO-UHFFFAOYSA-N	248.410	4.620	0	10	BJAE	
CC(C)(C)NC[C@]1([C@H]2C=CCCC2)CCC1(C)C	2068236952	RPWQAPZRHDSNKW-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CCC1(CN2CC[C@@H]2C2CCCCCC2)CCC1	2069326428	KLFIXQLVQYRMBV-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](CC1(CCC)CCC1)C1CC=CC1	2069335934	ULTHXYXZMANPLX-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCC1(C[C@@]2(N)CCC23CCCCC3)CCC1	2069336742	CZXCXKRQBXIAFF-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CCCOc1ccccc1NC[C@H](CC)C(C)C	2070275398	ZUAOWMHKQDGLNI-AWEZNQCLSA-N	249.398	4.570	0	10	BJAE	
C[C@H]1C[C@@]1(C)CC1(N)CCC2(CCCCC2)CC1	2070959937	TWILGVPGNBPNJR-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCNC[C@@H]2CC)CC1	2072810494	WSNJTYFEZSQGQI-JYJNAYRXSA-N	249.442	4.539	0	10	BJAE	
N[C@H](C[C@@]12CCCC[C@@H]1C2)C1CCCCCCC1	2074029601	OKIOWARBNRXSAU-ZACQAIPSSA-N	249.442	4.645	0	10	BJAE	
CCCC1(C[C@H](N)c2cc(C)c(C)cc2C)CC1	2074569825	WPZPYHPNJXWCDT-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CCCC1(CN2CCC[C@H]2C2CCCCC2)CC1	2074595985	WJYGKQRWAPEZFX-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
O[C@@]1(CC2=CCCC2)CCCCC12CCCCC2	2075724340	KWSTYAFALSAKME-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2C[C@@H]2C2CCC2)CC1	2079330406	YHCMRZOWIKKKFN-WSYIQSFVSA-N	248.410	4.598	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@H]1C(C)(C)C)c1ccccc1	2079531269	QVVWOBWHVFYIQM-PMPSAXMXSA-N	245.410	4.552	0	10	BJAE	
C[C@H]1CC[C@H](N[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1	2081140170	HUPDZISWWMVDCL-OVYGPGRDSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)CC(C)(C)C(C)C)c1	2082924711	BKZADWFDQNBDQN-INIZCTEOSA-N	247.426	4.684	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)C2CC(C3CC3)C2)C1	2082981176	BFTNMYXIAJLMLW-GRTSSRMGSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@](C)(CC)CN[C@@H](C)CC	2212583010	BGUDHTDJVIDMHU-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCCCCC[C@@H](CCC)CN[C@@H](C)CC	2212590420	WSOJPOSNQZZBHV-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](CCCCC1CC1)NC	2214568094	FPWHNQVIKXTVSI-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@H]2CC[C@H]2C)CC1	2215105437	NVTIZILFBCLLPN-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@@H]1CCCCCCCC[C@@H]1O	2215233836	RBQMIAVNHJRNKT-UGUYLWEFSA-N	238.415	4.534	0	10	BJAE	
CC[C@@]1(C)C[C@H]1NCCCCCCCC1CC1	2216861779	WOCVPVPEXYGFIF-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)[C@@H](N)CCCCCCCC1CC1	2216880399	UZPTXEXMWGJDEL-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
O=C1CCCCC[C@@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218333165	OKMBEALBXLWXKT-FXUDXRNXSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](O)C/C=C/c1ccccc1	2219067322	SWJNOVPITSIKNE-HARXRPJJSA-N	246.394	4.523	0	10	BJAE	
C[C@H](CCC=Cc1ccccc1)CNC(C)(C)C	2219086277	CHHRYZSGWLVMOF-OAHLLOKOSA-N	245.410	4.504	0	10	BJAE	
CCN[C@H](C[C@]1(C)C[C@H]1C)[C@@]1(C)CC=C(C)CC1	2221634748	CSHJJBUUSHHDQA-NCOADZHNSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H](CC(C)C)C(C)C	2221927734	JAAWJUFYUBKENM-HNNXBMFYSA-N	246.394	4.804	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@]12CCC[C@H]1C2	2223112477	FFDKWGFNAPQSHK-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)CC[C@@]1(CNC2CCC2)CC=CCC1	2223567910	BFTLCDZTKNNCJE-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1C[C@]1(C)CC(=O)c1ccc(C2CCC2)cc1	2223684217	OTJQFKJMVUJWCV-YVEFUNNKSA-N	242.362	4.573	0	10	BJAE	
CCCCc1ccc([C@H](N)CCC(C)C)s1	2242598340	AVPZVJYPDYRJRY-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
CCC[C@@H](CC)C(=O)C1CCC(CC)CC1	2244767097	DIXWGYWPFIDKOB-ROKHWSDSSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@](O)(CC)CC[C@H]1CCC[C@H](C)C1	2246692465	PIZFMDCQGLRPNP-ARFHVFGLSA-N	240.431	4.924	0	10	BJAE	
CCCNC[C@H](C)CCC[C@@H]1CCC[C@H](C)C1	2246727632	NUEUMNVEKQLNHA-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCC1(NCCCC[C@@H]2C[C@H]2C)CCCCC1	2247095698	ZDWVZKAGNQWRIT-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H](O)CC1CCCC1	2247129436	OHZSGCXRIIZBJG-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@H](O)CCCC[C@H]1C[C@@H]1C	2247157556	DLBRZQXRVNJUIJ-CWRNSKLLSA-N	240.431	4.780	0	10	BJAE	
CC[C@@](N)(CCC(C)C)C[C@H]1CCC12CCC2	2247444755	ZNVSMQMULVSHJU-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](NC(C(C)(C)C)C(C)(C)C)C1(C)CCC1	2247750051	DGFBEEPSOXUUTP-GFCCVEGCSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC(=O)CCC1CCC1	2248817390	VJIQHTSTFAGCBM-ZFWWWQNUSA-N	236.399	4.742	0	10	BJAE	
CCC[C@H](CC)[C@H](CC[C@H]1C[C@H]1CC)NCC	2250351658	FMYDUVBDNUMSGM-FZKCQIBNSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CC1CCC2(CC1)CC2	2250352185	JXDMITYJYYFOFB-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](C[C@H]1C=CCCCC1)NC	2250367506	AFAOERXVOUROMQ-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](N)CC(C)(C)F	2250516813	LMVZWDUMGWTMFM-UONOGXRCSA-N	245.426	4.695	0	10	BJAE	
CCCC[C@@H](N)c1cccc(C2CCCC2)c1	2251228201	VKOJRXKTPRAMHP-MRXNPFEDSA-N	231.383	4.534	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1ccc2ccsc2c1	2253066737	BNONOIPWCPJUOS-CYBMUJFWSA-N	247.407	4.598	0	10	BJAE	
CN[C@@H](CC(C)(C)C)c1ccc2ccsc2c1	2253066738	BNONOIPWCPJUOS-ZDUSSCGKSA-N	247.407	4.598	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1ccc2ccsc2c1	2253130899	VZZWBPHGQUIBAK-ZWNOBZJWSA-N	244.359	4.520	0	10	BJAE	
C[C@]1(C(=O)CC2CC3(CCCC3)C2)C=CCCC1	2254107942	MQXFHFFKOQLXQH-INIZCTEOSA-N	246.394	4.662	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@]1(N)CCCC2(CCC2)C1	2254585509	BJICEFPWDFZGNR-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC(=O)[C@H]1[C@H]2CCCCC[C@H]21	2254596166	NDEJDKMVVWSCSX-LBKYZSNHSA-N	248.410	4.598	0	10	BJAE	
N[C@@]1(CC2=CCCCC2)CCC2(CCCCC2)C1	2255144574	WHPDSDNOAHKMAE-QGZVFWFLSA-N	247.426	4.709	0	10	BJAE	
Cc1cc(NC[C@H]2C[C@@H]2C(C)(C)C)cc(C)c1C	2258244079	ZNQGTHGQCXQHRX-ZBFHGGJFSA-N	245.410	4.706	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1cccc(C2CCC2)c1	2259450168	YUVCHNYJEYPEOV-CXAGYDPISA-N	245.410	4.780	0	10	BJAE	
CCCN[C@H](CC1CCC1)[C@@]12CCCC[C@@H]1CC2	2260485511	FSUDCLIGQXMFPJ-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@]12CCC[C@H]1CC2	2260501316	PEEGMFJKDAGISX-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
CCCN(C[C@]12CCCC[C@@H]1CC2)C1CCCC1	2260569133	MFNXBJHYMTYNNB-NVXWUHKLSA-N	249.442	4.611	0	10	BJAE	
CCCc1ccccc1OC[C@]12CCC[C@H]1CC2	2260647241	OKDPCMKWFDEWOG-DOTOQJQBSA-N	244.378	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CNc1cccc(C2CCCC2)c1	2260723432	NOCGRESYWWXDEO-OAHLLOKOSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](N)(CC2CC3(CC3)C2)C1	2261379549	OTVWYRGVGNVCLA-QGZVFWFLSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(=O)CCCc1cccc(C(C)(C)C)c1	2261406910	UTNYQRXUSHGMPC-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CCCC(C)C	2300877220	OZHDONPWIGXNMC-INIZCTEOSA-N	239.447	4.927	0	10	BJAE	
CCC(C)=CCC(=O)c1cc2ccccc2s1	2300878203	YLERHZIFRONSQJ-UHFFFAOYSA-N	244.359	4.830	0	10	BJAE	
CC(=CCc1cccc(O)c1)CCCC(C)C	2300932353	SCZQLIGKRPXIAI-UHFFFAOYSA-N	232.367	4.707	0	10	BJAE	
CC(C)CC(O)(CC(C)C)[C@H](C)[C@@H](C)C(C)C	2301864375	NDCUOWMWALLWHY-LSDHHAIUSA-N	242.447	4.738	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)N1CCCCCCCCC1	2301979836	YFRPRXOPRJLMPX-JKSUJKDBSA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](C[C@H]1CC(C)(C)[C@H]1C)NCCC	2302139488	MKJIVMGFWDMCJB-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C1=C(CCCC[C@H]2CCCOCC2)CCCC1	2302342222	FSLMYOLRXVKMFI-INIZCTEOSA-N	236.399	4.864	0	10	BJAE	
Oc1ccc(SCCCC2=CCCCC2)cc1	2302354568	SNJPRCDTDTWQPA-UHFFFAOYSA-N	248.391	4.765	0	10	BJAE	
CC1(C)CC[C@@H](CNC2(C)CCCCCC2)C1	2302674280	ZSFXOADFSWCAHN-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](O)(CC[C@@H]1CCC(C)(C)C1)CC1CC1	2304387121	LNYKQGRBVRLEQN-GOEBONIOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(O)CC(C)(C)CC[C@@H]1C	2307836391	YRPRLWQOGOTDHJ-OFQRWUPVSA-N	240.431	4.780	0	10	BJAE	
CC(C)c1ccc(NC[C@H]2CC[C@@H]3C[C@@H]3C2)cc1	2309147873	KJORXAKUNBDVAD-IMJJTQAJSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@@H]2CCC[C@@H]3C[C@H]23)C1	2309964288	LWCIGIXVBAOZHG-LJIZCISZSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)C[C@@]23CCC[C@@H]2C3)CC1	2310895138	QKMCVMJADNHKMG-HHARLNAUSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC[C@H]1CCCCC12CC2)[C@@H]1CC[C@H](N)C1	2312667411	KEIJMPDGQSULRD-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C1CCCCC(NC[C@@H]2C[C@H]3CC[C@@H]2C3)CCC1	2313173995	IUXCLWJHQMLREW-XHSDSOJGSA-N	249.442	4.515	0	10	BJAE	
CC(=CCN[C@@H]1C[C@H]2CC[C@H]1C2)CCCC(C)C	2316489973	IDKRNSKTLWLTSL-YESZJQIVSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H]1[C@H]2CCCCC[C@H]21	2316501234	FZQCSYUPARAEPP-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CCC1C[C@@H]2CC[C@H](C1)N2CC1CCCCCC1	2316877794	IHMBHVCVGYTPPC-ZXFUBFMLSA-N	249.442	4.610	0	10	BJAE	
CCCC[C@@H](N)CCC(C)(C)Cc1ccccc1	2317257506	VYGVUYDFWUBRHW-MRXNPFEDSA-N	247.426	4.553	0	10	BJAE	
CC(C)c1ccc(F)cc1N[C@@H]1CCC[C@H]2C[C@@H]21	2317914283	ALGYCFXNUZZGER-TUKIKUTGSA-N	247.357	4.550	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@@H]1CC(C)(C)[C@@H]1C	2318232799	GORICFOPFQGNFQ-WQVCFCJDSA-N	246.394	4.526	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1[C@H]1CC(C)(C)[C@@H]1C	2318246745	CITDJTQNDGXKJF-UNIGVISCSA-N	243.394	4.514	0	10	BJAE	
CCc1ccc(CCCCC2=CCCCC2)nc1	2318573791	WKCAZGFWFSXROZ-UHFFFAOYSA-N	243.394	4.857	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCCC2=CCCCC2)C1	2318594072	BHSRGWBGUXHGKV-WBVHZDCISA-N	249.442	4.955	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1CNCCCC1=CCCCC1	2318594483	GKHYVEOOHHTGPA-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)C[C@H]1C=CCC1	2318943551	HMZXVBBXHYTEOC-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)CC23CCC(CC2)C3)C1	2319325775	JHEYTVKRKKQBJG-GYMHETDLSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(CC(=O)C[C@H]2CC[C@H]2C2CC2)CC1	2319501549	COBOEHKMOHIQOD-SGALNCENSA-N	248.410	4.598	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)CC[C@@H]1CC[C@@H]1C1CC1	2319694584	YYLUYXWZFWCDTD-IJEWVQPXSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@](C)(N)CC[C@H]2CC[C@H]2C2CC2)CCCC1	2319752685	ZNEKNFWPCZWTRU-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCC(C)=C(C)C2)C1	2320337364	MJHSIECNHMRZTM-BZUAXINKSA-N	248.410	4.908	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H](N)[C@H]2CCC[C@@H](C)C2)CC1	2320341684	WTLJXFNTJFCTTN-VDNDLQMASA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@@H](N[C@H](CC2CC2)C2CC2)CC1	2320518065	ZHZWDXVKFYNJMR-HZPDHXFCSA-N	249.442	4.514	0	10	BJAE	
CCCCCCc1ccc([C@@](C)(O)C(C)C)cc1	2327910721	NHHCYFBTXOWVER-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCC[C@@H](Nc1ccc(F)cc1)c1ccccc1	20005440	KFUOLGAMFRFJKP-MRXNPFEDSA-N	243.325	4.779	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC2CCCCCCC2)[C@@H]1C	20011072	POCDIAUYVVNYHU-IIAWOOMASA-N	237.431	4.514	0	10	BJAE	
CC[C@@H](C)c1cccc2c(C)c([C@@H](C)NC)oc12	40996201	GXKPORGPSQNMSE-ZYHUDNBSSA-N	245.366	4.535	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(N)CC[C@H](CC)C1	70769058	JZGMUYLRYRCXAH-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1NC(C)(C)CC(C)(C)C	70978220	VAUHNBPVKJVIDM-KGLIPLIRSA-N	239.447	4.760	0	10	BJAE	
C=C1C=CC(c2ccccc2)=C1c1ccccc1	71610358	XVKBVPBNHWUILZ-UHFFFAOYSA-N	230.310	4.723	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H](CC2CCCC2)C1	80415329	JIEJQDDXHPAYFF-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
COc1cc(C)c2[nH]c(C3CCCCC3)cc2c1	84070968	BOXCLVJAVOCSGI-UHFFFAOYSA-N	243.350	4.533	0	10	BJAE	
CCC1CCC([C@@]2(O)CCC[C@@H](CC)C2)CC1	85078100	XBKAKKBJXXMOQL-GYTBAZASSA-N	238.415	4.534	0	10	BJAE	
CSc1ccc(N[C@@H]2C[C@@H](C)CC[C@H]2C)cc1	85084099	SLLHRWKWPVXCMD-YWPYICTPSA-N	249.423	4.645	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCC[C@@H](C)CC1	86879113	GMWRKRPOFDNVHB-BXUZGUMPSA-N	235.346	4.515	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cccc(C)c2)CC1	86893314	GMVWOYOWBYLJBL-GJZGRUSLSA-N	231.383	4.766	0	10	BJAE	
CCCNC/C(=C\C1CCCCCC1)C(C)C	92727276	ROLZGRAWCUFITE-FOWTUZBSSA-N	237.431	4.539	0	10	BJAE	
C/C=C\C[C@H](C)c1ccc(Cl)c(C)c1	107618951	PEGHLUSIGDGKBT-LWTINBJPSA-N	208.732	4.718	0	10	BJAE	
CCCN[C@H](CCC1CCCC1)c1ccc(C)o1	110226952	OQDPKGGSTHHXJT-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)c1cc(F)ccc1C	111746099	NHJHGJYOOGDLSF-OCCSQVGLSA-N	248.341	4.533	0	10	BJAE	
Clc1cccc2c1C=Nc1ccccc1S2	116945779	LBDDYEVEGAFVBT-UHFFFAOYSA-N	245.734	4.555	0	10	BJAE	in-vitro
Fc1cccc(NC2CCC3(CCCC3)CC2)c1	129206532	PGBOBGMOSYWOBL-UHFFFAOYSA-N	247.357	4.741	0	10	BJAE	
CC[C@@H]1CC[C@@H](c2nc(C(C)C)cs2)C1	131954061	IJPSSITYMUGCSX-GHMZBOCLSA-N	223.385	4.560	0	10	BJAE	
C[C@H]1CC[C@@](O)(CCC(C)(C)C)c2ccccc21	137040758	YIVURKDRWCXRBM-SUMWQHHRSA-N	246.394	4.598	0	10	BJAE	
CCCCC(=O)CC1=CC[C@H](C(C)C)CC1	141982048	ALAVMHCXEQCTHA-AWEZNQCLSA-N	222.372	4.518	0	10	BJAE	
CCCCC[C@@H](NOC(C)(C)C)c1ccccc1	148743741	QJFOPDIUKSTOCX-OAHLLOKOSA-N	249.398	4.628	0	10	BJAE	
CCCC[C@@H](NCCCC1CC1)c1ccccc1	161468900	UPISBUQUQWOLHV-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CC(C)(C)CC[C@@H](N)c1ccccc1C(C)(C)C	163445906	RKSHPUKGJKSDFO-OAHLLOKOSA-N	247.426	4.810	0	10	BJAE	
CC(C)CCC[C@@H](N)C1CCC(C(C)C)CC1	165892321	LKPMMTAIEAGQCX-UYSNPLJNSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCC[C@@H]1CCC[C@H]1CNC(C)(C)C	166348133	RWXLOFMDDRSNJF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](CC)CC[C@@H]1N	217637677	HGVJLRNLOSPHNX-JONQDZQNSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)c1ccoc1Cl	232992718	ICGQNPGTXOZKNZ-PWSUYJOCSA-N	244.762	4.573	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC(C)(C)C[C@@H]1C	234146194	HJYKEPOAUVZFCI-ZFWWWQNUSA-N	245.410	4.794	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](O)[C@H](C)C(C)C)cc1	251299580	BHZQVZFNYYYPTL-WOSRLPQWSA-N	234.383	4.526	0	10	BJAE	
N[C@@H](CC1CCCCCC1)C[C@@H]1C[C@H]2CC[C@H]1C2	253039315	JMNZLVRBCZCCFQ-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H]([C@H]2CCNc3ccccc32)CC[C@H]1C	300115238	DITDXMMRPJSIMB-CBBWQLFWSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](NC)C2=CCCCCCC2)C1	300136767	KZCOYBNMZHVWNX-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C)CCCNc1ccc(Cl)cc1	300922407	ZSFSZUYZBMTUKO-UHFFFAOYSA-N	225.763	4.578	0	10	BJAE	
CCN[C@H](CCC1CCCC1)CC1=CCCCC1	302281309	USZPKZHIXOMLCR-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC(C)CC[C@@](C)(O)c1cccc2ccsc12	302564428	ZHNYHOWWRDUSIP-OAHLLOKOSA-N	248.391	4.545	0	10	BJAE	
CCCN[C@@H](CCC[C@H](C)CC(C)C)C1CC1	305917499	HAVNCYLEXDYSNF-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1ccc(C2CCC2)cc1	305968284	PKVWYFJDHSOWAC-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@@H]1CC[C@H](C)C1	305974825	ZNTNSJZGLUXWMV-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@@H]([C@](C)(O)CCC(C)(C)C)CC[C@H]1C	306058008	RQIQWSDAHAXPFX-ORIJERBGSA-N	240.431	4.636	0	10	BJAE	
CCc1cc(NCCCCCCC(C)C)ccn1	307777304	VUMPSPRHBOMIMG-UHFFFAOYSA-N	248.414	4.662	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](CC1(C)CCC1)NC	308059852	TYYXBQBQFVCZAF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(CC(=O)c2cccs2)CC1	309475989	VJNPNOPNUHGZMO-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
CCCNCC/C=C(/C)CC1CCC(C)CC1	310105713	CUADLAAVFMIEFN-UUASQNMZSA-N	237.431	4.539	0	10	BJAE	
CCCN[C@H](C)[C@@H](C)CC1CCC(C)(C)CC1	310174962	UWBMJIGNYDXOIQ-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CSc1cccc(N)c1)C1CCCCC1	310363581	VFXWSYUXGAAETF-GFCCVEGCSA-N	249.423	4.577	0	10	BJAE	
C[C@H](C[C@@H]1Cc2ccccc2N1)C1CCCCC1	311196888	GBSIEEDWNAWKMQ-CZUORRHYSA-N	243.394	4.630	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC(C)(C)C)CC=CCC1	317229978	MHGCXQXXWJNGKF-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCC1(C[C@@]2(CNC3CC3)CC[C@@H](C)C2)CCC1	317837913	QOAKOLARRMORNT-RHSMWYFYSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)[C@@H](C)NCC/C=C/c1ccccc1	323889647	VGGQFXQFOZQZOZ-BMQCOBNYSA-N	245.410	4.504	0	10	BJAE	
CCCC[C@H](CCC)Nc1ccc(C#N)cc1C	378909590	PJTBBFKBNHWSCL-HNNXBMFYSA-N	244.382	4.638	0	10	BJAE	
CN[C@@H](CCC(C)C)CC1CCC(C)(C)CC1	379850646	DSDJKTDSTKXNAG-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(O[C@@H]2CC[C@H](C)[C@H](C)C2)cc1C	379880766	UVLMSEXOCDSWSZ-JGGQBBKZSA-N	232.367	4.507	0	10	BJAE	
CC[C@H](NC[C@H]1CC(C)=C[C@@H](C)C1)C1CCCC1	382822688	PWSPYFKYQWSQEM-UNEWFSDZSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCC1(C)C)c1ccccc1	384684138	AZNOAAWFPHAFHW-HIFRSBDPSA-N	244.378	4.576	0	10	BJAE	
CSc1cc(F)c2sc(C(F)F)cc2c1	396233287	DTSVAQGEEOPQBF-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1CNc1cccc(C)c1F	401791789	GMATWXGBAAEVQZ-ZIAGYGMSSA-N	249.373	4.762	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2C=C[C@H]1CC2)C1CCCCCC1	402219028	QKKNOQGYBWTCCD-DZKIICNBSA-N	246.394	4.518	0	10	BJAE	
CCC[C@H](C)CNc1ccc2c(c1)CCCCC2	404743756	FYWYMYBSQHWMBA-AWEZNQCLSA-N	245.410	4.804	0	10	BJAE	
CCCC1(CNc2ccc(Cl)cc2)CCC1	687529016	LJMMMLJGCUOBHF-UHFFFAOYSA-N	237.774	4.722	0	10	BJAE	
CCCCC[C@@H](NC)c1cccc(C(C)C)c1	688902064	WBXWQWSXXOFIFX-MRXNPFEDSA-N	233.399	4.651	0	10	BJAE	
Cc1ccc(C)c(N[C@@H](C)CC2CCCC2)c1	689780959	KBIXTLUHAKHLMF-AWEZNQCLSA-N	231.383	4.684	0	10	BJAE	
CCCCCC(=O)CC(C)(C)C(F)(F)CC	691062819	UOHDGGBKXWKEOJ-UHFFFAOYSA-N	234.330	4.597	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCC[C@@H]1CC	704967446	LREAAPGTDMXBLU-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
Cc1cccc([C@H](CO)C[C@@H](C)CC(C)(C)C)c1	709107889	ZMIDBTMBSCNXNH-ZBFHGGJFSA-N	248.410	4.533	0	10	BJAE	
C[C@H](N[C@@H]1CCCCC1(C)C)[C@@]12CCCC[C@H]1C2	709148532	JFERQZAHGMPPMP-MPTYRVRUSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC(C)(C)C)CC(C)(C)C	709205613	RHOQJZZOKLYQDE-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@](C)(O)C[C@H](C)CC(C)(C)C	709263005	VCQQDYWLXFMAHA-HIFRSBDPSA-N	228.420	4.780	0	10	BJAE	
C[C@H](Cn1ccc2c(Cl)cccc21)C(C)(C)C	711151209	LMFAMLBQDSRDCK-LLVKDONJSA-N	249.785	4.977	0	10	BJAE	
C[C@@H](C[C@@H](N)CC1CCCCCC1)C(C)(C)C	711154918	YQLAEXKUTVYOIH-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
CCCNC[C@@H](CC(C)(C)C)c1cccc(C)c1	713138802	GMSOAJDMSCLXGJ-MRXNPFEDSA-N	247.426	4.514	0	10	BJAE	
CN[C@H](CC(C)(C)C)c1cccc(C(C)(C)C)c1	713209148	HAURYMCQLUTCAD-OAHLLOKOSA-N	247.426	4.681	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CC2)C1CCCCCC1	722634175	VJGZTPURUFNFSX-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C[C@H]1C[C@@H]1CC)C(C)(CC)CC	723107392	YTXGMAHAEMLNAE-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C[C@H]1CC1(C)C)CC(C)(C)CC	723153580	NQTGTJFUFKTOSX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](NC(C)C)C(C)C)cc1	1461006511	HCJLRWNVBMWZFA-RHSMWYFYSA-N	247.426	4.895	0	10	BJAE	
CCC1(CC)CCC(NCC2(C)CCC2)CC1	1474033500	OPCZHDQKOMGPEY-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
C/C(=C\c1ccccc1)CNCCCC(C)(C)C	1620807108	LDDVJKXBZTXKKL-FYWRMAATSA-N	245.410	4.506	0	10	BJAE	
C=C/C=C/CCSc1cc(C)ccc1C	1656065492	UHIFJJJLVKLMQY-AATRIKPKSA-N	218.365	4.528	0	10	BJAE	
C1=CCC[C@H](CNCC2CCCCCC2)CCC1	1658131192	OBWMPMWGHLUBQP-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
Cc1cc(Cl)ccc1CCCC(C)C	1889494311	UWUWUTFUNQPHEW-UHFFFAOYSA-N	210.748	4.627	0	10	BJAE	
Cc1ccc(Cl)c(O[C@H](C)CC2CCC2)c1	1899410028	QZZBYXVYJPGTHR-LLVKDONJSA-N	238.758	4.606	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCC(CC)CC)NC	1900711660	FYQCCGYXGRLGLW-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)Nc1ccc(Cl)c(F)c1	1901626476	PPCAHTXDZWYIHL-VHSXEESVSA-N	243.753	4.572	0	10	BJAE	
Cc1cccc(Cl)c1N[C@H](C)[C@@H](C)C(C)C	1901707763	GJWCDTMRCHKDQM-NWDGAFQWSA-N	239.790	4.741	0	10	BJAE	
CCCC(C)(C)c1nc(CC2CCC2)cs1	1901911024	YETLZMCNRSVRKF-UHFFFAOYSA-N	237.412	4.563	0	10	BJAE	
CCCC[C@@H](CC)CC(C)=CCCNC(C)C	1905732807	CVZVLPFZFNEQSA-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
Cc1cc(C(=O)CC[C@@]23CCC[C@@H]2C3)sc1C	1908424784	QGHMJSVPZCJZQY-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CCc1ccc(N[C@H]2CCC3(CCCC3)C2)cc1	1916425536	DPAFBEHBBXRVBA-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CCCCc1ccc(N[C@@H]2CC[C@@H]3C[C@H]3C2)cc1	1917328760	IPLODRLIDODORY-HLLBOEOZSA-N	243.394	4.630	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)c1cc(C)c(C)cc1C	1920206867	NNNBAMBICHOYRO-SJCJKPOMSA-N	247.426	4.612	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@]1(N)C[C@H]2CCCC[C@@]2(C)C1	1921540798	IOLQSKYGYFWGBB-FSDCSDTHSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(C)(C)C[C@@](C)(CN)C1CCCCC1	1924128154	UMNGYBMPEOGUJT-INIZCTEOSA-N	239.447	4.604	0	10	BJAE	
CC(C)(C)c1ncc(C[C@@H]2C=CCCCC2)s1	1925880719	XIYOFLBMYMPDEC-GFCCVEGCSA-N	249.423	4.730	0	10	BJAE	
CCN[C@@H]1C[C@H](C)CC[C@H]1C[C@@H]1C=CCCCC1	1925891807	KTHBEXGWDJYIAW-WCXIOVBPSA-N	249.442	4.537	0	10	BJAE	
CCCc1cccc([C@H](CC(CC)CC)NC)c1	1926371998	LOXAIKNXCUHFBT-KRWDZBQOSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](N)CC2CC(C)C2)cc1	1926998711	FSCWBZVTHFLZCD-NHMAURGWSA-N	245.410	4.636	0	10	BJAE	
Clc1cccc(C[C@@H]2C=CCCC2)c1Cl	1932606191	DMEGVGCXGFLKCR-SNVBAGLBSA-N	241.161	4.892	0	10	BJAE	
CCC(CC)CC(=O)c1cc(Cl)sc1C	1933557536	WQARBAGIRBYWPG-UHFFFAOYSA-N	244.787	4.719	0	10	BJAE	
CCCC[C@H](CC)C[C@H](C)c1ccc(N)cc1	1940967828	QILDDRXDPMEDIZ-KBPBESRZSA-N	233.399	4.979	0	10	BJAE	
CC(C)(C)C1CCC(CCC(=O)C2CC2)CC1	1941161738	XMIQJRGMFGUJLA-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(CC)CN[C@@H]1C[C@H](C)CC(C)(C)C1	1941354801	HSRBFLLIZXCBKP-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@]1(CCCCCC2CC2)CCCCCN1	1941587216	QGQZEEYJXYGVBY-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CC(C)[C@H]1CCCCC[C@@]1(N)CCCC1CC1	1941587324	RFGMJGVSXXKANS-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H](NCC)C1(C)CC(C)(C)C1	1941990096	USPVDQVIZGSOGI-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@@H](C)CCC(C)C	1942658004	GDAZSQDYALXKAS-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	1945311148	KNRHICHFWOYIKT-YHUYYLMFSA-N	237.431	4.514	0	10	BJAE	
O=C(CC1=CCCCC1)c1sccc1C1CC1	1945811616	LKPBFCVRPNGYMD-UHFFFAOYSA-N	246.375	4.699	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)c1cscc1C	1948018472	IFFXLISHNSZGKJ-OAHLLOKOSA-N	249.423	4.598	0	10	BJAE	
CCCC1(CN[C@@H](C)[C@H](C)CC(C)C)CCC1	1948325860	GAWYBTAAOBATOS-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC1([C@@H](N)C2=CCCCCC2)CCCCCC1	1948976288	DGIHFCSEOYAPRT-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CN[C@H](CC[C@@H](C)CC(C)C)CC1CCCC1	1949864431	NCTGXEPNDFSATR-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C)n1C1CC2(CCC(C)CC2)C1	1950499844	PQOCITJXKCIJJP-UHFFFAOYSA-N	231.383	4.636	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(N)CC12CCCCC2	1950602860	VTCMUTQDNKLKNW-CZUORRHYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCc1cccc(C)c1C	1963172830	BYJYYBRLJFLFSF-CXAGYDPISA-N	247.426	4.608	0	10	BJAE	
C1=C(CCN[C@H]2CCCCC23CCC3)CCCC1	1966435011	SRDAGMYLAQEVSU-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CC(C)CCC[C@H](C)NC[C@]1(C)C=CCCC1	1967836749	IYJCAXVVTYYJDV-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCC[C@H](C)Nc1cccc(Cl)c1	1968260442	PUKFLNDYQOAAJQ-LBPRGKRZSA-N	239.790	4.967	0	10	BJAE	
Cc1cc(C)cc(NCC[C@H]2CCC[C@H](C)C2)c1	1968307379	JCOMCSFXFRSSIR-XJKSGUPXSA-N	245.410	4.932	0	10	BJAE	
Cc1c(F)cccc1NCC1C[C@@H](C)C[C@H](C)C1	1968647463	DZRJTPIKRWMOMH-RYUDHWBXSA-N	249.373	4.618	0	10	BJAE	
CCCCN(C)[C@H]1CCCCC12CCCCC2	1974448507	BFBGZDQUDQDOSP-HNNXBMFYSA-N	237.431	4.611	0	10	BJAE	
CCCC(C)(C)[C@@H](O)CCCCCC(C)C	1976009861	DLHBAIGLMLFAKQ-AWEZNQCLSA-N	228.420	4.780	0	10	BJAE	
CCCC[C@@](C)(O)C1CCC(CCC)CC1	1980234566	QFEZGKYQMJMXFE-YMAMQOFZSA-N	226.404	4.534	0	10	BJAE	
CC(C)CCC(=O)CC1(C(C)(C)C)CCC1	1989444902	LUVIANWVOGPLQJ-UHFFFAOYSA-N	224.388	4.598	0	10	BJAE	
CCCCC[C@@](O)(CC)CCCC(C)(F)F	1990093920	PXDYLFMHCLHBJL-ZDUSSCGKSA-N	236.346	4.533	0	10	BJAE	
CCC1(CC(=O)C[C@H](C)CC(C)(C)C)CC1	1990595580	QJNVFTOBFGHCPQ-LBPRGKRZSA-N	224.388	4.598	0	10	BJAE	
CCCC(C)(C)[C@H](CC1CC(C)(C)C1)NCC	1996616629	NDQSCCGXQWRTHM-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CC)C(=O)C1C[C@H](C)C[C@@H](C)C1	2000215518	WPCYMQWDLCWBQZ-CHWSQXEVSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@](CC)(CN)[C@@H]1CC[C@H](C)[C@@H](C)C1	2000501015	AXXRPBQATIRYQW-CAOSSQGBSA-N	239.447	4.604	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2000833156	CDAQDNSHQLUOTF-ITGUQSILSA-N	249.785	4.639	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C[C@@H]1CCC12CCC2	2001851085	KWULEDPIQAAUIW-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CC[C@H](c2nc3ccc(Cl)cc3[nH]2)CC1	2003069578	ZPVIXRUBLYAQBG-MGCOHNPYSA-N	248.757	4.510	0	10	BJAE	
O=C(CC[C@H]1CC=CCC1)c1cccc(Cl)c1	2003672361	UCDHSWHEJQZPOT-LBPRGKRZSA-N	248.753	4.659	0	10	BJAE	
O=C(C[C@H]1CCC2(CCCC2)C1)c1cccs1	2003689305	ZWVNMCQHUYFCMP-GFCCVEGCSA-N	248.391	4.681	0	10	BJAE	
CC1=C(C)[C@H](N[C@H](C)[C@H](C)CC(C)C)CCC1	2006923394	SJCXVBPDSDDWMW-FVQBIDKESA-N	237.431	4.536	0	10	BJAE	
CCCN[C@@H](C=C1CCCCC1)[C@@H](C)C(C)C	2007938044	UCLNFPLISMURSV-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCCC(CCC)[C@H](C=C1CCCC1)NCC	2007939375	HELCQKVKABZQSD-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1CCC1(C)CC1	2009534819	JRAHHLBGZFQUHN-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC=CCCC[C@H](CCC1(C)CC1)NCCC	2009617653	VCLMVEBXHUTZPC-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCCCC1CC(NCC2CCCCC2)C1	2009715867	KRRNNJUJSTYXOI-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](CC(C)(C)CC)NC)CC1	2010767381	GFDGKJJQTIOIFO-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
CCC1(C)CCC(O)(CCC[C@H]2C[C@@H]2C)CC1	2011561970	ZADNZJDZHHWRER-FXQLRMTLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC12CCC(CC1)C2	2012796238	CFDXCRMDTXTIEN-NPCAHTBFSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CCC[C@@]1(CNC(C)C)CCC1(C)C	2014849356	MOVDVEWCSGPSCR-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)C[C@H](CC(C(C)C)C(C)C)NC	2015277112	DXNUGKIVIIQKMW-OAHLLOKOSA-N	241.463	4.719	0	10	BJAE	
CC(C)C(CCN1CCCCC[C@@H]1C)C(C)C	2015391627	CWUFQUORHGHRRD-HNNXBMFYSA-N	239.447	4.569	0	10	BJAE	
CCCCC[C@H](C[C@@H]1CC12CCC2)NCCC	2015532050	XGKLLLLLKZIEAZ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](CC1(CCC)CCC1)NC	2015639653	JASCMQRPFBLQLR-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@H](C)NCCC[C@H]1CC1(C)C	2016148933	FGLPWRJXGKJLAP-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1C[C@]1(C)CC(=O)[C@H]1CCCC(C)(C)CC1	2016412651	SAUNSSRAYJRXLN-DVOMOZLQSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](C[C@@]1(C)C[C@@H]1C)NCCC	2016462400	ZIQYJAUKDIYPNB-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)CC1(C(C)C)CCC1	2017149180	XKFDDTGTUDALQX-OAHLLOKOSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H]1CC[C@H](C(=O)C[C@@]2(C)C[C@@H]2C)CC1	2017663835	ZBNCVUARRQIVBQ-RZLSGREXSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@@H]1[C@H]2CCCC[C@H]21	2018129163	IDLIIVSUBKCQQW-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](C)c1ccccc1	2018134797	RXPPVWRXOSSTLO-GOEBONIOSA-N	233.399	4.696	0	10	BJAE	
CCCCC[C@@H](CC)NCCC1=CCCCC1	2018138049	BQRAZOJPUWKSHC-MRXNPFEDSA-N	237.431	4.825	0	10	BJAE	
CCC1(C[C@@H]2C[C@H](C(C)(C)C)CCC2=O)CC1	2018921532	ODHDLTVXBQNZCH-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C[C@H](N)C[C@@H](C)CC(C)(C)C)CC1	2019007675	DUTIGPHEFWZMQR-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H]1[C@@H]([C@H](C)CCC)CCCC1(C)C	2020363390	IRVSPFYXMWQBGV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCCN(C[C@@H](C)C(C)(C)C)C1CCCC1	2020536237	UDNBNBUEDDAXAT-CQSZACIVSA-N	239.447	4.713	0	10	BJAE	
CCC(=O)[C@H](C)C[C@@H]1C[C@@H]1C1CCCCCC1	2022554505	OUINBGBDWITHAS-BPLDGKMQSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC)[C@H](C)C[C@@H]1CCCC(C)(C)C1	2024101195	IVXFDKAOHRFPHZ-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](C)N[C@@H]1CC(C)(C)C1(C)C	2025022142	XUGLPYNYMVJAAG-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)c1ccccc1C	2026168233	YOJUWILMIJGCHF-XJKSGUPXSA-N	233.399	4.601	0	10	BJAE	
C=CC=CCC[C@@H](NCC)C1(C)C(C)(C)C1(C)C	2027153181	PXORTJLRJMKOIR-CQSZACIVSA-N	249.442	4.559	0	10	BJAE	
CN[C@@H](C[C@H](C)C1CC1)c1ccc(C(C)C)cc1	2027620494	HMHBMGOMXQWAKR-GUYCJALGSA-N	245.410	4.507	0	10	BJAE	
CCCC[C@@H](N[C@@H]1C=CCCC1)c1ccccc1	2030355764	BGURTLNTOVPGJT-IAGOWNOFSA-N	243.394	4.616	0	10	BJAE	
CCCNC[C@@]1([C@H]2C=CCCC2)CCCC1(C)C	2032112364	PVBDWHGDTALMGE-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC(C)c1ccc(C(=O)[C@H]2CCC(C)(C)C2)cc1	2033393213	FNUJAEVGXDPVCH-HNNXBMFYSA-N	244.378	4.819	0	10	BJAE	
N[C@@H](C[C@@H]1CC[C@H]2C[C@@H]2C1)C1CCCCCCC1	2037131770	HGYKPUOUFDYNTJ-IWCQGFGOSA-N	249.442	4.501	0	10	BJAE	
C[C@](N)(CCC1=CCCCC1)[C@]12CCCC[C@@H]1C2	2037174826	PHTXEBFHEHFCFI-IKGGRYGDSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@H]1C[C@H]1CCC[C@H]1C	2037221612	VIFBLBAXZWULCF-KQTLUZQSSA-N	243.394	4.658	0	10	BJAE	
CCCC1(CN(C)[C@@H]2CCC3(CCCC3)C2)CC1	2037684080	XGNYQUPYLDHDFQ-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@@H](C)C1CCCC1)C2	2038932852	ITXZWOAZHXFIAH-ZFBLFJJNSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(F)cc(NC[C@@H]2CC23CCCCC3)c1	2039052556	XDWOFGDKYDTPCF-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
O=C(C[C@@H]1C=CCCCC1)CC12CCC(CC1)C2	2039416966	APYIHGNRHUORAC-HPUBIQBYSA-N	246.394	4.662	0	10	BJAE	
C[C@@H](Nc1ccccc1F)C1CCC(C)(C)CC1	2040637503	BWAGAMCYFUDCAL-GFCCVEGCSA-N	249.373	4.843	0	10	BJAE	
CCCC(C)(C)[C@@H](N)c1ccc2ccccc2c1	2040723149	GNOPBVMYNLTVFI-INIZCTEOSA-N	241.378	4.666	0	10	BJAE	
C[C@@H](N[C@H]1CCCCC[C@H]1C)C1CC2(CCC2)C1	2043547959	UPZJMTODKVZOER-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC[C@H]1CC(C)C	2043688244	YUCIFBSHQRKOKL-HOTGVXAUSA-N	245.410	4.794	0	10	BJAE	
C[C@H]1C[C@@H]1c1ccc(C(=O)CC2CCCCC2)o1	2045562050	NJBZAIQYEGZIPI-AAEUAGOBSA-N	246.350	4.556	0	10	BJAE	
CN[C@H](CCC(C)=C(C)C)C1[C@@H]2CCCCC[C@@H]12	2048361209	UGYICPBCWMDDNZ-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CCCC1CCC(N)(C[C@H]2[C@H]3CCCC[C@H]32)CC1	2048441166	IOAOWOJVROGQMA-JSGMBBGDSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C(=O)C[C@H]2[C@H]3CCCCC[C@H]32)CC1	2048467343	OHDXJOHTMHOVMY-VXSNREPFSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1CC(C2(N)CCC3(CCCC3)CC2)C1	2048608458	OUBGSLBXNFCXGD-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@@H](C)NCC2=CCCC2)CC1	2049423263	LUPLZVQABSTDPV-HPUBIQBYSA-N	249.442	4.681	0	10	BJAE	
C[C@H](C(=O)C[C@H]1CCC2(CC2)C1)C1CCCCC1	2049930390	SVNGYQRQCAJPES-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC1CCCC1)[C@@]1(C)C=CCCC1	2049998824	XYYDPPNEAYTINR-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
C[C@]1(C(=O)C[C@@H]2CCCC3(CC3)C2)C=CCCC1	2049999394	CDNYKZWSWMPVFM-HOCLYGCPSA-N	246.394	4.662	0	10	BJAE	
CN[C@H](c1cocc1C)C1(C)CCCCCCC1	2052477980	IPDHZXLTQZSNAT-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC1(C)CCCC[C@]1(CN)[C@H]1C=CCCCCC1	2053400368	KJOUBJYDSAOGED-RDJZCZTQSA-N	249.442	4.668	0	10	BJAE	
C[C@H](C[C@@H](N)[C@H]1CCCCC12CCC2)C1CCC1	2053407703	PSAZJCQXVPRKRC-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CC=CCCC[C@@]1(CNC(C)C)CCCC12CC2	2059252426	ICQSKSRJXUJSIQ-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@H]1CC=C([C@@H](N)CC(C)(C)C2CC2)CC1	2061148563	WDHIPVIGYLZBHT-BBRMVZONSA-N	249.442	4.523	0	10	BJAE	
C=C=CCC[C@H](NCC)c1ccc(C(C)C)cc1	2061566643	OQBAOBDNOIABOF-KRWDZBQOSA-N	243.394	4.582	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C1CC(=C2CC2)C1	2061650596	LSKZJNUKROKNTE-QGZVFWFLSA-N	247.426	4.601	0	10	BJAE	
CCCC1(NCC2CC(=C3CCC3)C2)CCCC1	2061722879	NUBJZBFKNOPNJC-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
C[C@H]1C[C@H]1CCCNc1ccc2ccccc2c1	2062650529	DYBVOYIVZFKKQV-DZGCQCFKSA-N	239.362	4.688	0	10	BJAE	
CC[C@H](N[C@H](CC)C1CCCC1)c1occc1C	2063679845	CXFBUBYDMNPVRG-CABCVRRESA-N	249.398	4.598	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC23CCC(CC2)C3)CC1	2065334699	HEBSWCQCKOBOHF-ZGRYLRDCSA-N	249.442	4.645	0	10	BJAE	
CC(C)C(Cn1ccc2ccc(F)cc21)C(C)C	2068981414	LGJMOCBQDMJZRK-UHFFFAOYSA-N	247.357	4.709	0	10	BJAE	
CC(C)[C@@H](C)CC(=O)[C@@H](c1ccccc1)C(C)C	2068983819	IFCMVENBKNRXDW-WMLDXEAASA-N	246.394	4.678	0	10	BJAE	
CCCC1(C[C@@H](N)c2c(C)cccc2C)CCC1	2069267909	IKGADBXCJGUPFP-OAHLLOKOSA-N	245.410	4.664	0	10	BJAE	
COc1ccc(N[C@@H](C)CCC=C(C)C)cc1C	2070396850	DMCKHFUFRPIJEY-AWEZNQCLSA-N	247.382	4.550	0	10	BJAE	
NC1(C[C@@H]2CC[C@@H]3C[C@H]23)CCCCCCCCC1	2071052734	PWTDGHZMBXQXMF-PMPSAXMXSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@H](C)c1ccccc1	2072416591	HJMIDBLBYJTVIM-NVXWUHKLSA-N	245.410	4.515	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)c2ccc(C)o2)CC1	2072797546	AEHHCBJAOVOOCM-KKUMJFAQSA-N	249.398	4.584	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)c2cccc(C)c2)CC1	2072869736	UBWGXCBDXVCMEY-SHTZXODSSA-N	244.378	4.784	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2CCC[C@H]3C[C@@H]32)CC1	2072869987	XAXVBWNWTXGGBF-GVRJEKJASA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C[C@]12CCCC[C@H]1C2	2074030395	SWNOGPJZDOXOSD-KLZNWCGWSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H](CC)c2ccccc2)CC1	2074614714	SBUUMNGKRUXSMU-HOTGVXAUSA-N	246.394	4.512	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@H](C)c1ccccc1	2074789330	FFEJHZWTXSWOLB-OAHLLOKOSA-N	247.426	4.894	0	10	BJAE	
C[C@@H]1CCC[C@H](N(C)[C@H]2C=CCCCCC2)CC1	2074802612	RADBHYBQKODYAR-IKGGRYGDSA-N	249.442	4.776	0	10	BJAE	
CC[C@H](C)c1ccc(OC[C@H]2C[C@@H]2C2CC2)cc1	2079330821	AGDDLFGOJHSSHH-XGWLTEMNSA-N	244.378	4.625	0	10	BJAE	
CC[C@]1(C[C@@H]2C[C@@H]2C2CCCC2)CCCCCN1	2079632966	LBGCAQPZQMBPKE-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@H](N)C1=CC[C@@H](C(C)(C)C)CC1	2079838518	JWVXLYXHZMOISF-KLHDSHLOSA-N	249.442	4.523	0	10	BJAE	
CC1(C)C[C@@H]1CCC(=O)C[C@@H]1C[C@@H]1C1CCCC1	2079842177	MYNKRPUYLOIZLI-IJEWVQPXSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@@H]2C[C@H]2C(C)(C)C)c1	2079850161	DAGPVMGQLKEBRU-DZGCQCFKSA-N	244.378	4.558	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)c1ccc(C2CC2)cc1	2079852778	SAOWTJJYNVNAOI-JKSUJKDBSA-N	242.362	4.573	0	10	BJAE	
C1CCCCC[C@@H]2[C@H](CCCC1)[C@H]2CNC1CC1	2083340323	AKGQSEXKNHSTKV-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@](C)(N)CC1C2(CCC2)C12CCC2	2083540084	UEYWIBFOVOMLAN-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
Cc1csc(C(=O)C2(C)CCCCC2)c1C	2210559139	KRFZBZXNLTYAOS-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CC(C)C1CC(CC=Cc2ccccc2)C1	2210666850	IEVGUQDAKIHECC-UHFFFAOYSA-N	214.352	4.772	0	10	BJAE	
CC1(C)CC(C)(COc2ccc(Cl)cc2)C1	2211646835	CZKICNPYGZZVFO-UHFFFAOYSA-N	238.758	4.545	0	10	BJAE	
C[C@@H](C1CCC1)[C@H](N)CCCCCCC1CC1	2213577279	AEMPXWQIWXMFTJ-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)CCC1CCC1	2213580020	JAUHCBSLCAFTGX-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCC(C)(CC)[C@@]1(O)CCC[C@H](C(C)(C)C)C1	2216260565	YQHOWDOJFDDBKZ-XJKSGUPXSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCCCN1CCCCCCCC1CC1	2216861160	UBVUILFPGIKGCP-OAHLLOKOSA-N	237.431	4.611	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CN[C@H](C)CC)CC1(C)C	2217134638	DEJTWQMUMSBFHA-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](C(C)=C(C)C)C1C[C@H]2CCC[C@H](C1)C2	2218349271	FWIAJQIQVCMSCW-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CC1([C@](C)(N)CC2C[C@H]3CCC[C@H](C2)C3)CCC1	2218359590	SPDVUMBCOQAPNZ-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
N[C@H]1CCCC[C@@H](CC2C[C@H]3CCC[C@H](C2)C3)C1	2218365185	KZBXZQVWPRRRMS-JKQORVJESA-N	249.442	4.501	0	10	BJAE	
CCC(CC)C[C@@H](CC=Cc1ccccc1)NC	2219095582	OJODQUBHFMOZKG-QGZVFWFLSA-N	245.410	4.504	0	10	BJAE	
O[C@@H](CCCCC1CC1)c1ccccc1C1CC1	2220028133	PIMVVTGSTAIROB-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CC1([C@H](O)C2=CCCCCCC2)CC2(CCC2)C1	2220934655	BNHSUSLPJKLHBL-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)c1c(C)cc(C)cc1C	2220962525	RHMYGLHWBXYDTA-GJZGRUSLSA-N	244.378	4.621	0	10	BJAE	
CC[C@@](N)(CC1(C)CC2(CCC2)C1)C1CCCC1	2221015105	GIMQVBCLYNUJGV-QGZVFWFLSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC(C)(CC2(N)CC3(CCCCC3)C2)C1	2221037368	DBVXOAIICAACPJ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)C2=CCCCCCC2)CC1	2221633691	VOHZIHHFGCZNLL-SJORKVTESA-N	247.426	4.731	0	10	BJAE	
Cc1cc(C)c([C@H](N)CC2=CCCCC2)c(C)c1	2222006878	OFIXONHFXKEEIA-MRXNPFEDSA-N	243.394	4.502	0	10	BJAE	
CC[C@H](C[C@H](N)c1c(C)cccc1C)C(C)(C)C	2222014490	RPWFNRWZRDJRLT-CABCVRRESA-N	247.426	4.766	0	10	BJAE	
CCCc1nccn1CCCCCCCC1CC1	2223160087	ATQHDVVQCHDKIM-UHFFFAOYSA-N	248.414	4.586	0	10	BJAE	
CC[C@@](C)(CNC1CCC1)CC12CCC(CC1)C2	2223553748	AFDCUGRVQDJBOU-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc([C@@H](C)C(=O)C[C@H](C)CC(C)C)cc1	2223965545	KPVQNGHVLOVSEF-HUUCEWRRSA-N	246.394	4.740	0	10	BJAE	
CC[C@H](C)CC(=O)CC[C@H]1CCCCC12CC2	2246605341	DIAZMKYMKYKWBS-UONOGXRCSA-N	236.399	4.742	0	10	BJAE	
CCCC(O)(CCC)CC[C@@H]1CCC[C@@H](C)C1	2246695161	SSSNLXDFBZHOHF-CABCVRRESA-N	240.431	4.924	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCNC1(C)CCCCC1	2248864168	BCKBYICCPBFQAT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)CC1(C(C)(C)C)CCC1	2250351669	FNVJUGDHRMSQEP-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@]23CCCC[C@H]2CC3)s1	2251122799	FCCAXTNVSKLTMG-WFASDCNBSA-N	248.391	4.518	0	10	BJAE	
Cc1cc(C)c(C(=O)CC2(C)CC(C)C2)c(C)c1	2253678517	GTPIRDYWHVGSQZ-UHFFFAOYSA-N	244.378	4.621	0	10	BJAE	
CC1CC(C)(C[C@H]2c3ccccc3NC[C@@H]2C)C1	2253748846	BCQHRHJIQLJBJK-QZWLQQCHSA-N	243.394	4.658	0	10	BJAE	
Cc1cccc2c1N[C@H](C[C@H]1CC[C@H](C)C1)CC2	2253864243	DVAGTUHWJJBDII-NOLJZWGESA-N	243.394	4.548	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)C[C@@H]2C[C@H]3C[C@H]3C2)C1	2253924100	RJBHORXXFKEBTQ-DGADGQDISA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(N)CC1CC2(CCCC2)C1	2254111525	YLYAZKSOZZZUQS-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@](C)(N)C12CCC(CC1)C2	2254598162	YXCOMWPSBILOLT-OWUKFGMTSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CC[C@@H](N)C[C@H]1CCCC12CC2)C1CC1	2255233159	IDBGRTPAIPACSO-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cc(C3CC3)ccc2F)C1	2259125904	JEASZQJWFXUAAE-BXUZGUMPSA-N	247.357	4.694	0	10	BJAE	
CCC[C@H](NC[C@H](CC)CCC)c1ccccc1	2259461712	AWYVYVAXVWEGOJ-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@]12CCCC[C@@H]1CC2	2260523798	GVABDTGEJDVONE-IKGGRYGDSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCCN1C[C@@]12CCCC[C@@H]1CC2	2260573927	KBMTVFRYKKBTJA-ZACQAIPSSA-N	249.442	4.611	0	10	BJAE	
CC1(C(=O)C[C@]23CCCC[C@H]2CC3)CCCCC1	2260580970	YDVXMDMIALMSTL-WMLDXEAASA-N	248.410	4.886	0	10	BJAE	
CN[C@H](C[C@@]12CCCC[C@H]1CC2)C1CCCCC1	2260582736	LDCOPOWTHHZZBL-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(NC[C@]23CCCC[C@@H]2CC3)c(C)c1	2260613314	DQWVTYXPKMSMRX-NVXWUHKLSA-N	243.394	4.686	0	10	BJAE	
Cc1cc(C(=O)CC2CC(CC(C)(C)C)C2)co1	2261258851	NPYBEUGMPDMLGU-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
CCC(CC)CC[C@@H](N)CC12CCC(CC1)C2	2300689101	UPPXNOOXDWYGTQ-HWOWSKLDSA-N	237.431	4.501	0	10	BJAE	
CCC(C)=CC[C@@]1(O)CCC[C@@H](CC(C)C)C1	2300882471	VNTCFHOLWNMPDZ-HOTGVXAUSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(CN(C)[C@@H](C)[C@H](C)C(C)C)C(C)C	2301702750	ZYQBKSCGQTWYDP-CABCVRRESA-N	241.463	4.527	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)[C@H](C)[C@H](C)C(C)C	2301825857	ONXOOSYYJQDCPA-TUVASFSCSA-N	238.415	4.700	0	10	BJAE	
CCCc1ccc(N[C@H](C)[C@H](C)C(C)C)cc1	2301827221	ZTTNUKJRMUBWFV-ZIAGYGMSSA-N	233.399	4.732	0	10	BJAE	
CC(C)CCC[C@H](C)CCCC1(N)CCCC1	2302557523	QIXUEMMQCDSJIY-HNNXBMFYSA-N	239.447	4.891	0	10	BJAE	
CC1(C)CC[C@H](C[C@H]2CCCCCC[C@H]2N)C1	2302751824	XOEJMRPVBWYZSK-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCc1cscc1N[C@H](C)c1ccc(C)cc1	2302892323	KNUQOIBGMFVABO-GFCCVEGCSA-N	245.391	4.792	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)[C@H]1CC[C@H]1C(C)(C)C	2303450562	UZVGVYOGSJPLSL-ZNMIVQPWSA-N	237.431	4.523	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H]2CCC[C@@H](C)C2=O)CC1	2303521772	JRCALZWGHJSDJE-BPLDGKMQSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CC[C@@H]1C[C@H]1CC	2303587569	HZRSRJVGUTVUHP-LVQVYYBASA-N	239.447	4.602	0	10	BJAE	
CC1(C)C[C@H]1Oc1ccc2ccccc2c1Cl	2307638370	JFRDGTMOZJPRNH-CYBMUJFWSA-N	246.737	4.671	0	10	BJAE	
CCC[C@H](CC)C[C@H](CNC(C)(C)C)C(C)C	2307833197	ZKPUVEUMZZUFQF-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(C)(C)[C@H](NC)C1	2307906416	FDDVGROBKUBZFS-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1C[C@H](CCC[C@H]2C[C@H]2C)Nc2ccccc21	2310434518	STHKAFCKYHYAMB-QPSCCSFWSA-N	243.394	4.801	0	10	BJAE	
CC1(C)CCC(=O)[C@@H](C[C@H]2C[C@@H]3CC[C@H]2C3)CC1	2312936223	KNTPIVMCNJZZGN-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
CC(C)C[C@@H]1C[C@H]1C(=O)C[C@@]12CCCC[C@@H]1CC2	2313323507	DAZNQFRPKFZSIP-ANQUJSFKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C[C@@]12CCCC[C@@H]1CC2)c1cccc(N)c1	2313323753	JKFTXSPEXYKQHL-LXZKKBNFSA-N	243.394	4.733	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC(C1CC1)C1CC1	2315883572	PNJLSGVMJDHNBP-UHFFFAOYSA-N	243.394	4.719	0	10	BJAE	
CCC(CC)CC[C@H](N)C[C@H](C)c1ccccc1	2316236358	ULAXGBPKLNBGHF-YOEHRIQHSA-N	247.426	4.724	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@@H]1C[C@@H]1C1CCCC1	2316876509	WDKMRTXIOQLXHR-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCNC[C@@]1(CC2CCCCCC2)CC=CCC1	2317007997	BYAGZONOZKCZTF-KRWDZBQOSA-N	249.442	4.683	0	10	BJAE	
CCC(CC)C[C@@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317153407	BGSRKGFMCSCGJH-WCXIOVBPSA-N	249.442	4.523	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)[C@H](C)[C@H](C)C(C)C	2317824266	OZVPBKNEIYLAJG-CKEIUWERSA-N	247.426	4.738	0	10	BJAE	
COc1cc(C)ccc1CCCC1=CCCCC1	2318564875	DJEZPJUVOVUVLB-UHFFFAOYSA-N	244.378	4.827	0	10	BJAE	
Cc1cccc(OCCCC2=CCCCC2)c1F	2318597493	LOLLPONOWWDOOI-UHFFFAOYSA-N	248.341	4.794	0	10	BJAE	
CC1(C)CC(CC(=O)CC[C@@H]2CC[C@@H]2C2CC2)C1	2319698472	YAKSAAUBNYKQIQ-GDBMZVCRSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(OCC[C@@H]2CC[C@@H]2C2CC2)cc1C	2319748428	JVJALLLSJZIPDG-DOTOQJQBSA-N	244.378	4.509	0	10	BJAE	
CC1=C(C)C[C@@](N)(CC2CC(C(C)(C)C)C2)CC1	2320267083	ZOINARJVTJWRPA-VMBOVVBDSA-N	249.442	4.667	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CCC[C@@H](C)CC2)CC1	2320267345	DQMDGYOMXRBJSF-KBRIMQKVSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@H](C[C@@H]2CCC(C)=C(C)[C@@H]2O)CC1	2320349417	ZAYRHPIAQWXYGH-IKGGRYGDSA-N	248.410	4.620	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)CC2(C)CCCC2)CC1	2320409125	RAKLPEVZKKOIIR-JKSUJKDBSA-N	249.442	4.811	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)[C@H]2C[C@@H]2C2CCC2)CC1	2320415669	CLKJHTBUHLVZPG-BMFZPTHFSA-N	246.394	4.518	0	10	BJAE	
CCCC1CC(C(=O)C[C@H]2CCC(C)=C(C)C2)C1	2320421470	BPCNAKFZEDKNOO-PCKAHOCUSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2C[C@@H]3CCC[C@@H]32)C1	2321637456	SHTRNCYWDHDQED-ZQDZILKHSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](CC1(C)CC1)c1cc(C)ccc1C(C)C	2327657445	MIFPAFKRCOJDEO-MRXNPFEDSA-N	245.410	4.569	0	10	BJAE	
CCC(C)(C)[C@](C)(O)c1cc(C)ccc1C(C)C	2327696796	IOCSZQNOPWXYEY-QGZVFWFLSA-N	248.410	4.762	0	10	BJAE	
CCC[C@@H](CC)CN1CC(C)(C)c2ccccc21	2328102715	QPYUYTPBLWUBMJ-CQSZACIVSA-N	245.410	4.611	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1C2(CCC2)C12CCC2	2328291268	HKSGXRAKSSBNND-ZDUSSCGKSA-N	248.410	4.742	0	10	BJAE	
C[C@H](NC1CCCCCCC1)c1ccc(F)cc1	19980422	FQBYQJWUCYFZDD-ZDUSSCGKSA-N	249.373	4.589	0	10	BJAE	
CC[C@H](Nc1cccc(F)c1)c1ccc(F)cc1	19995425	CIMDNODNRSMOIT-HNNXBMFYSA-N	247.288	4.528	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1ccc(CC)s1	36942937	RVIQIHCVTWMXLG-NSHDSACASA-N	238.396	4.710	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCCCC(=O)C1	70740374	SPUFDHJDSNTGFL-UONOGXRCSA-N	224.388	4.742	0	10	BJAE	
CCCC[C@@H](CC)CC[C@@H](NC)C(C)(C)C	71083928	IXLVPCSEGAWLFU-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCc1cc2cccc(C(C)C)c2nc1Cl	71136925	LGAHLWQWDHKTTE-UHFFFAOYSA-N	233.742	4.574	0	10	BJAE	
CNc1ccc(Oc2cccc(C(C)C)c2)cc1	77388182	XQRKLJFMNXOBCN-UHFFFAOYSA-N	241.334	4.644	0	10	BJAE	
CC(C)c1ccccc1O[C@@H](C)c1ccccc1	85151532	NJBMIXSJTWVVTE-AWEZNQCLSA-N	240.346	4.950	0	10	BJAE	
CCC[C@@H](C)Nc1cc(C(F)(F)F)ccc1C	91478206	NFLRTVHOKCAHLS-SNVBAGLBSA-N	245.288	4.614	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1ccc2ccccc2c1	103933797	UIMDXNIPCTYYKY-CXAGYDPISA-N	242.362	4.700	0	10	BJAE	
Cc1cc(C)c([C@@H](N)C2CCCCCC2)c(C)c1	110196814	GPDYVACVXYMROK-KRWDZBQOSA-N	245.410	4.582	0	10	BJAE	
CCCc1ccc([C@@H](C)N[C@H](C)C(C)(C)C)cc1	122500407	YPBQYWNCOTUYIF-ZIAGYGMSSA-N	247.426	4.724	0	10	BJAE	
CCC[C@@H](C)C[C@@H](CC1=CCCCC1)NCC	161342605	BTKNGWYHUIDHSP-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
Cc1cc(F)ccc1C(=O)CC1CCCCCC1	165335234	YPWWDRGFYNBZBE-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
CC(C)CCCC1(CN)CCCCCCC1	166257554	HJNNYMORZPIRQR-UHFFFAOYSA-N	225.420	4.502	0	10	BJAE	
CCCc1ccc([C@H](O)C(CCC)CCC)cc1	212113774	XXLCNQBWTYGYFU-QGZVFWFLSA-N	248.410	4.889	0	10	BJAE	
CCCC[C@H](CCC)Nc1cccc(Cl)n1	226135158	VTCXRXPBROCPHA-NSHDSACASA-N	240.778	4.506	0	10	BJAE	
C[C@@H](C[C@@H](N)C1CCCCCC1)CC(C)(C)C	229144868	WCRFNYDPUJDCSC-DZGCQCFKSA-N	239.447	4.747	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](N)CC2CCCCCC2)C1	229468140	IRINJTVBHDCUBA-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](Nc1ccccc1)c1csc(Cl)c1	230410512	IYGJCVCTKXYTKS-SECBINFHSA-N	237.755	4.575	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C(C)C)C2)cc1F	230986263	SPFWYPFCLYNPJG-UONOGXRCSA-N	249.373	4.761	0	10	BJAE	
Cc1cc(Cl)c(-c2cccc(N)c2C)cc1C	232217715	AIWPKAJOZKLZNE-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCC1CCC(NC[C@@H]2CC(C)=C[C@@H](C)C2)CC1	232911412	AZEBFAZFIVMAOY-AKBUMOGYSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccc([C@H](CC)C[C@H]2O[C@@H]2CC)cc1	249726149	UVAIKVZOBTVCFM-DJIMGWMZSA-N	246.394	4.700	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)[C@@H]1CC[C@H](C)[C@@H](C)C1	253055360	YPRIPIPTNDGEIS-GVRJEKJASA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CC[C@@H](c2cccc3c2CCCN3)C[C@H]1C	300116477	NXOWODOAWCCFJV-MGPQQGTHSA-N	243.394	4.584	0	10	BJAE	
O[C@@H](CCC1CCCC1)c1cccc(C2CC2)c1	305895632	GUVHNSVBUSNWFK-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CC(C)CNC[C@H](C)[C@H](C)C[C@H](C)CC(C)C	306016390	XNLZYBMDIDMDIO-OAGGEKHMSA-N	241.463	4.577	0	10	BJAE	
CC(C)NC[C@@H]1CCC[C@H]1CCCC(C)(C)C	309995796	WEXOPUYETHHKRN-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1F)c1cccs1	310207175	CUYWKQQURRQZIL-NSHDSACASA-N	249.354	4.759	0	10	BJAE	
CCCC[C@@H](CC)COc1ccc(C)c(C)c1	310309244	SREAWVPLUNLIGU-OAHLLOKOSA-N	234.383	4.899	0	10	BJAE	
CC1(C)C(N[C@H]2CCCC23CCCCC3)C1(C)C	313000911	AZZWJJJFCURMGS-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Oc1ccc(C(C)C)cc1	319638119	QAVHAGJQOMHMJK-CHWSQXEVSA-N	220.356	4.623	0	10	BJAE	
CCC(CC)(CC)NCC/C=C\c1ccccc1	323909357	XYMLTIQYUKMLRM-UVTDQMKNSA-N	245.410	4.648	0	10	BJAE	
C[C@H](CCC(C)(C)C)N[C@H](C1CC1)C(C)(C)C	324316121	XJZVXEWGEQXDQV-TZMCWYRMSA-N	239.447	4.616	0	10	BJAE	
C[C@@H]1CCC[C@@](O)(C[C@@H](C)C2CCCCC2)C1	379862128	PPEFPSHMJCJTOA-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)NC[C@H]1CC[C@H]1CCC1=CCCCC1	384957642	MVWKEORMHJMXLP-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@@H](COc1cccc(Cl)c1)c1ccccc1	384997828	VQSZNHZABQGQJO-LBPRGKRZSA-N	246.737	4.523	0	10	BJAE	
CC1(C[C@H]2CCCC[C@@H]2CNC2CC2)CCCC1	385582706	AUZDZSPIGCJOBX-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCC1=CCCCC1)C1(C)CCCC1	385929875	UPSOMIVCPDWQSN-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CC(C)CC1(CN[C@@H](C)CCC(C)(C)C)CC1	391805681	GGDVACBSRBBUAH-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCc1cc(C)c2sccc2c1C(F)F	396224917	PZGKWPPNORWZOE-UHFFFAOYSA-N	226.291	4.710	0	10	BJAE	
CSc1cc2cc(F)c(C(F)F)cc2s1	396231599	AQLZFIWYCQNBAC-UHFFFAOYSA-N	248.294	4.700	0	10	BJAE	
COc1sc2cc(C(F)F)ccc2c1Cl	396286755	IAWSRXFRIZRCEX-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCc1ccc2cc(C(F)(F)F)sc2c1C	396301778	KIZGBOLWZVEAOZ-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](NC3CCCCCCC3)[C@H]1C2	400210206	PFDBHQVNLBTUSY-NUEKZKHPSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@@]1(CC2=CCCC2)CC[C@@H](CC)C1	401045231	AQEIJKDOPYJGAI-WBVHZDCISA-N	249.442	4.683	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)C1(C)CCCC1	688935801	JTBOKWACASVBKR-INIZCTEOSA-N	245.410	4.651	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cccc(C(C)(C)C)c1	691674439	MGWKNKWPVCFUMR-QWHCGFSZSA-N	246.394	4.849	0	10	BJAE	
CCc1cc(OC(C)(C)C)ccc1C(C)C	694950207	FSVGVMHPJXFRCG-UHFFFAOYSA-N	220.356	4.550	0	10	BJAE	
CN[C@H](CC1CCCCC1)[C@H]1CCCC2(CC2)C1	695981000	CLGWDTUEDQWRAA-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CCCCC(=O)C(C)(C)C	696784191	HVEBHTVUPCQZBS-UHFFFAOYSA-N	212.377	4.598	0	10	BJAE	
CCCc1ccccc1OC[C@H]1CCC[C@H](C)C1	699494473	XCJQHFVLAMXLSZ-GJZGRUSLSA-N	246.394	4.844	0	10	BJAE	
CCN[C@@H](CCCC(C)(C)C)[C@]1(C)CC1(C)C	702199511	AKJUMDDTKOIXRI-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCC23CCCC3)CC1	703214568	IQTGYZQBAGASHV-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(-c2ccc(C(C)(C)C)cc2)c(O)c1	704121752	JCGHWZGOVPYENL-UHFFFAOYSA-N	240.346	4.665	0	10	BJAE	
CC(C)CC[C@@](N)(C[C@H](C)CC(C)C)C1CC1	704837109	RCFNKNOIDOWNKP-GDBMZVCRSA-N	239.447	4.602	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(N)CCC(C)(C)C	704847586	ZUXISDHHHJATBH-OAHLLOKOSA-N	227.436	4.747	0	10	BJAE	
CCN[C@H](CC(C)(C)CC)[C@H]1CCCC[C@H]1C	704916720	IGUYVBKULJELTK-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCCC[C@H]1Oc1cccc2sccc12	704931428	BZIYYWSSDNZSIS-WCQYABFASA-N	246.375	4.859	0	10	BJAE	
CCCCCC[C@](N)(CCC)C1CCCC1	704951704	NZNXRRXYJQJITQ-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCC[C@](N)(C1CCC1)C1CCC(CC)CC1	707852327	JNABLIWURZWDSW-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@H](C)CC(C)(C)C	708299706	GBNTZRFYCMKKIN-ZIAGYGMSSA-N	241.463	4.863	0	10	BJAE	
Cc1ccc2nc([C@H](C)CC(C)(C)C)[nH]c2c1C	709125747	AMTAFJPIAVCTIG-LLVKDONJSA-N	244.382	4.719	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@]1(N)CCC[C@@H](C)[C@H]1C	709145215	OHMLSRUQPHDQSC-IXYNUQLISA-N	239.447	4.602	0	10	BJAE	
CC[C@](N)(C[C@@H](C)CC(C)(C)C)C(C)(C)C	709208095	XNIRDQYKAVYSSZ-WFASDCNBSA-N	227.436	4.602	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C[C@@H](C)C(C)(C)C)C1	710755090	SYDSDNSYOMPXNI-IIAWOOMASA-N	239.447	4.602	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCCCC1(C)C)C(C)(C)C	711218908	OOEZIGYYRUDEPH-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC(C)C(C)(C)C[C@@H](O)c1coc2ccccc12	713172677	VCMFPPGMKBOGKJ-CQSZACIVSA-N	246.350	4.539	0	10	BJAE	
CCC(C)(C)Cn1ccc2cccc(Cl)c21	713235207	GJQYHSCELJWZAZ-UHFFFAOYSA-N	235.758	4.731	0	10	BJAE	
CCC[C@H]1CCC(=O)[C@@H](CC(C)(C)C(C)C)C1	713303770	CIXHNMMTENFEAU-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@@H]1CCCC1(C)C	713764093	QAVVKXFDALAZAI-FLELRFNZSA-N	249.442	4.703	0	10	BJAE	
C1CCCC(CCNCCCCC2CC2)CC1	716352289	XEEAYFWYLNMIJE-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCN[C@H]1CCCCC[C@H]1C1CC2(CCC2)C1	717523119	JMTDHZRATWPPBU-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)CCC[C@@]1(N)CCCCCC1(C)C	719196754	FGAKKMMKNCCZAD-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCCC2(C)C)cc1F	719263041	WHGVCOIMOGIJBJ-HNNXBMFYSA-N	249.373	4.905	0	10	BJAE	
CC[C@H](CC1CCCCC1)NCCCC1CC1	720941182	UZCRHHNONVMXLF-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C(=O)CC1CC(C)(C)C1)c1ccccc1	723588924	WVEBQWVHHDZIKO-OAHLLOKOSA-N	244.378	4.576	0	10	BJAE	
CC(C)Oc1ccc(C(C)(C)C)c(CC2CC2)c1	725387644	MZWYNAFMLCXXHC-UHFFFAOYSA-N	246.394	4.724	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNCCCC1CCCC1	1648689129	LMTBQUUIIJZHCM-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@H]1N[C@@H]1CCCCC12CCCCC2	1875420357	RJIWKCHHWNTULJ-BZUAXINKSA-N	249.442	4.658	0	10	BJAE	
CCC(CC)CCOc1ccc(Cl)cc1C	1900697720	RAZLCUFZUNJLJI-UHFFFAOYSA-N	240.774	4.854	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)CCC(CC)CC	1900701084	KPJOJTWDVYLZGR-ZIAGYGMSSA-N	227.436	4.617	0	10	BJAE	
CCc1cscc1C(=O)CCC(CC)CC	1900702069	IVECBPXAIOZYJR-UHFFFAOYSA-N	238.396	4.710	0	10	BJAE	
CCCNC[C@](C)(CCC)CCC[C@@H]1C[C@@H]1C	1908578650	VRZURJRPGAAJRI-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC=CC[C@@H](CC)c1ccc(F)c(F)c1	1911818990	NLTWCPFTEDWXHH-LLVKDONJSA-N	224.294	4.815	0	10	BJAE	
C=CC=CCCCC[C@H](NCCC)C(C)(C)C	1911913953	BSTDGGADRNCWPC-HNNXBMFYSA-N	237.431	4.703	0	10	BJAE	
CCCC=CCNc1cc(C)c(F)cc1Cl	1914672104	SIZSDFFYJYPORG-UHFFFAOYSA-N	241.737	4.556	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@@]1(CNC(C)(C)C)C=CCC1	1916375894	DJNAWPVJTRKLKD-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCCC1CC(CO)(CCCCCC(C)C)C1	1921184688	RXTUTPMGUUVZBL-UHFFFAOYSA-N	240.431	4.782	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@H]1C=CCCCC1	1925891923	QLQFOEOILGZTQB-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)[C@@H]1CCC(C)(C)C1	1925916172	SSICGPIURODMOV-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
Cc1csc(C(=O)CC2(C)CCCCC2)c1	1935604212	OKVTWGLNMXVVNE-UHFFFAOYSA-N	236.380	4.600	0	10	BJAE	
CCCC[C@H](CC)CNCC[C@@H](C)CCC	1937294615	VQCZGIYCHMLFJK-GJZGRUSLSA-N	227.436	4.619	0	10	BJAE	
Clc1cccc(-c2cccc3sccc23)n1	1938277340	GLFJCWTXDRDZMV-UHFFFAOYSA-N	245.734	4.617	0	10	BJAE	
CC(C)C(C(C)C)[C@@](C)(N)CC(C)(C)C(C)C	1940245297	WPAHNDJDAQEDPW-INIZCTEOSA-N	241.463	4.704	0	10	BJAE	
CC[C@H](C(=O)CC1CCC(C)(C)CC1)C(C)C	1941267778	WMZSIPZQOODBRM-AWEZNQCLSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@H](CC1(C)CCC1)[C@@H](CC)C(C)C	1941272495	KVXJEFKZJGFOQN-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CCCC1CCC1	1941462826	GDPQQHNBLCZHNV-HZPDHXFCSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc(C2CC2)cc1	1941560100	ULHQHAVCVOGBMM-UHFFFAOYSA-N	230.351	4.573	0	10	BJAE	
CC[C@](O)(CCCCCC1CC1)[C@H]1CC1(C)C	1941578486	AYIMOECOEMJEKX-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCCCC[C@]1(O)CCCCCC1CC1	1941578732	FAVQGXKSGTYUJC-HOCLYGCPSA-N	238.415	4.678	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CCC12CCCCC2	1942657046	NIVRLWHWRJDQIE-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](O)c1ccc(C2CCCC2)cc1	1944121124	DXJOIVGTMPBHTL-INIZCTEOSA-N	232.367	4.568	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)C(C)(C)C(C)C	1944660534	JEXLVHJPCZFBRI-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)C(C)(C)C(C)C	1944667336	BQJJAZARTGUJCQ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)C[C@@H]1CC1(C)C	1944748348	ZEFYRJWPCLKXBA-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC1(CC)CCCC1	1947459605	ISTYZUISQGXUOU-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C1=C[C@H](Cc2ccccc2C2CCC2)CCC1	1947551369	FFEPWKDEBPRWIT-AWEZNQCLSA-N	226.363	4.853	0	10	BJAE	
Cc1cccc(N[C@@H]2CCCCC23CCC3)c1	1947878656	KICYQKNRFWBIBO-OAHLLOKOSA-N	229.367	4.520	0	10	BJAE	
Cc1cccc(N[C@@H](C)[C@H](C)CC(C)C)c1C	1948324435	ZJVYHAIZSOEXCN-HIFRSBDPSA-N	233.399	4.786	0	10	BJAE	
CCCN[C@H](CCC)CCC1CCC=CCC1	1948847804	MJTPJQRQYWVOFU-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC1=C[C@H](C)C[C@H]([C@H](N)CCCC(C)(C)C)C1	1948984319	XYQAOICMPFUEGR-AEGPPILISA-N	237.431	4.523	0	10	BJAE	
CCCC[C@H](CC)CNCCC1CC(C)(C)C1	1949849199	ZPSYSNVGMCEZMU-AWEZNQCLSA-N	239.447	4.619	0	10	BJAE	
C[C@H](CCC(=O)CC1CCCC1)CC(C)(C)C	1949869586	JHNUBQCCAOBIBF-CYBMUJFWSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1CCCC(F)(F)CC1	1950013068	WWRMJFSVIMHFHF-NWDGAFQWSA-N	246.341	4.597	0	10	BJAE	
CC(C)CCCCC=C1CCC[C@H](CCN)C1	1950493682	JJPDTTXLGQKBGC-MRXNPFEDSA-N	237.431	4.668	0	10	BJAE	
CC1CC(C)(CNc2ccc3sccc3c2)C1	1950525693	YTYDMNCHWXDHFN-UHFFFAOYSA-N	245.391	4.749	0	10	BJAE	
CNC[C@@]1(CCC(C)C)CCCC(C)(C)CC1	1950914609	RHKBWPBAJSRAGK-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@@H]1CCC[C@@H](C)CC1	1950925850	XGHHTKQDINKSKJ-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(c2csc(C)n2)CC1	1960980772	CDBOCYKVBNVBAY-UHFFFAOYSA-N	223.385	4.525	0	10	BJAE	
CCCc1ccc(CN(C)CCCC(C)C)cc1	1963210148	SLRRQQFWEDOOBJ-UHFFFAOYSA-N	247.426	4.507	0	10	BJAE	
C[C@H]1CCCCC[C@H]1N[C@@H]1C[C@@H]2CCCC[C@@H]2C1	1967861499	YKPBKTYMQKYBEK-FIDHJVLJSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](CN[C@H]2CCCCC23CC3)C1	1972741045	AKFDCDSYBMQZNR-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
CCC1(CC)CC(N[C@H](C2CCCC2)C2CC2)C1	1972935961	ATVUSRHCCNYDMB-MRXNPFEDSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](N)C[C@@H](C)CC(C)(C)C	1976008248	KWHVDPVZKQINKQ-CHWSQXEVSA-N	227.436	4.602	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1CC[C@H](C)CC1	1989837731	XEOANLGQWKWIOQ-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CCC(C)(C)CNc1cc(Cl)c(F)cc1C	1995048324	PMUXDMICHIHRKR-UHFFFAOYSA-N	243.753	4.636	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](C=C(C)C)NCC	1995261628	GLIGJKAFVPAFOM-HUUCEWRRSA-N	225.420	4.537	0	10	BJAE	
CCCN[C@H](C[C@H](C)CC)C[C@@H]1CC[C@@H](C)C1	1996261140	UCDPVCGZVYIMTO-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)C[C@@H]1CC[C@H](C)C1	1996261410	VVZLZVWPYCEDQQ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](C[C@H]1CC[C@@H](C)C1)C(C)(CC)CC	1996273557	UQLGZECNIAEOMA-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](N)CC2(C)CCC2)CC1	1997109654	QNOGLECPAPFXBV-RBSFLKMASA-N	237.431	4.501	0	10	BJAE	
CCCSc1ccccc1N[C@@H]1CC[C@H]1CC	1998742609	NULJBDFOUURAFY-CHWSQXEVSA-N	249.423	4.789	0	10	BJAE	
CC(C)(C)C(=O)CCC[C@@H]1CCC=CCCC1	1999983830	QIZAGKBFEDVFKX-CQSZACIVSA-N	236.399	4.908	0	10	BJAE	
CCCC[C@@H](CC[C@H]1CCC=CCCC1)NC	1999997217	WHJIAEPBOMCVFQ-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
Clc1cccc2ccn([C@@H]3CC[C@H]4C[C@@H]4C3)c12	2001461147	ABINVOCFDWNXRX-YNEHKIRRSA-N	245.753	4.656	0	10	BJAE	
C[C@H](C1CCCCC1)N(C)C1CCCCCC1	2002931191	BYBCRRVAHULLJG-CQSZACIVSA-N	237.431	4.610	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCCCCCC[C@@H]1N	2003117379	NOVRKDSYKRNWSQ-CABCVRRESA-N	239.447	4.891	0	10	BJAE	
CCN[C@@H]1CCCCCC[C@H]1CC(C)(C)CC	2003119840	WWEXJWYBYBPXNJ-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@H](C)CC(C)C	2003656232	UMPFWYNFXFRPBT-ZDUSSCGKSA-N	232.367	4.640	0	10	BJAE	
CCCC[C@]1(C[C@H]2CCCC[C@@H]2C)CCCN1	2009769273	FYHHLSVTBKMQFZ-ARFHVFGLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC1CC(N)(CC[C@@H]2CC2(C)C)C1	2009787604	QNUGJFZNPNSWHL-NPCAHTBFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CCN[C@H]1CCCCCC12CC2	2011275567	TWZYOKILIIINLC-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1c(C)cccc1F	2013264658	OULVMAPAOTXACS-CYBMUJFWSA-N	237.362	4.761	0	10	BJAE	
CCCC1(CN[C@H](C)C2(C)CCCC2)CCC1	2014335834	YMRXZRRZSMTPNY-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C[C@@H](C)C(C)C	2015275980	UUEYXXBPHQAVKF-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]1CCC[C@@H]1CC1(CCC)CCC1	2015646080	WOXYAABOERPDNU-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](NCCC)C1(CC2CCC2)CC1	2015784394	QJKGJOLUCVHEMH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)C1(C[C@@H]2CC[C@H](C)CCC2=O)CCC1	2017129998	WRGOUWCZOGNEBN-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCCCC[C@H]2C)CCC1	2017141169	AZFLKMDRAOYNSK-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@@H](CC1(C(C)C)CCC1)NC	2017142505	HXJUWHHRCVOWTJ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)NC[C@H]1CC[C@H](CCC)CC1	2017663148	OWRZJVAYAHUYEM-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@@H](CC)NC[C@H]1CCC(C)(C)C1	2018130208	MZYNBLVUHURGQO-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCCC1(C[C@H](O)[C@H]2CCCC(C)(C)C2)CC1	2018970192	NHENYCMZCWYPAA-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)CC(C)(CC)CC	2019180653	DOBJFHBLCRETNP-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2022416741	GBWJSTZXGABUIS-HUUCEWRRSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](CC)(CC=C1CCC1)CNCC	2023260164	DFRXTWHBKHGCAS-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CCC[C@@H]1CCC[C@]1(O)CCCCC(C)(F)F	2023301140	DDGDFJNDRJFSKG-TZMCWYRMSA-N	248.357	4.533	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)CCC2CCC2)C1	2024100760	FRXIQVQJFAAQPS-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CC(=O)CCC1(F)CCC1)C(C)(C)C	2025238622	URMNNTOVEGVENP-LBPRGKRZSA-N	242.378	4.690	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](NC)[C@@H]1CCC1(C)C	2026170146	NQXXIVSWTXGMSN-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(C(=O)CCC[C@H]2CC2(C)C)c(F)c1	2027842599	JQNACUIWIHDTBZ-LBPRGKRZSA-N	248.341	4.533	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)c2ccccc2C2CC2)C1	2028570440	YGYRSABCAMQTEC-TZMCWYRMSA-N	242.362	4.573	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1ccccc1CC(C)C	2028926620	JCGVRCWGWZBBQL-INIZCTEOSA-N	248.410	4.745	0	10	BJAE	
CCC1(C[C@H](O)c2ccc(C3CC3)cc2)CCC1	2029080837	LWGLLIHWQWNAAM-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](O)c1ccccc1C(C)C	2029826855	SJBSJVMDQUHZDY-WMLDXEAASA-N	248.410	4.916	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)c1ccc(C)c(C)c1	2029967685	VAGMARRFSFHAKT-XJKSGUPXSA-N	247.426	4.780	0	10	BJAE	
CCC1(CNC2(C3CCCCC3)CCC2)CCC1	2033058955	OLLJWRLUYIXDKH-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC[C@@H]2C=CCCC2)CC1	2035559367	GCXVNFUNOIFGGR-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@@H](C)[C@H](C)CC(C)C	2036385181	UHSRRQWFLCVQPO-PMPSAXMXSA-N	247.426	4.716	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1C[C@H]2CCCC[C@]2(C)C1	2036633751	FYRKGZSBTRPLFD-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)C[C@@H](N)c1ccc(CC(C)C)cc1	2037093439	FBONPERYMLQWJB-WMLDXEAASA-N	247.426	4.711	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@]1(N)CCC1=CCCCC1	2037171063	BJXSTCQLDAXHRS-IRXDYDNUSA-N	249.442	4.811	0	10	BJAE	
CCC(C)(CC)[C@@](C)(N)c1ccc(C(C)C)cc1	2037216531	KACRNSIXDZOJDE-KRWDZBQOSA-N	247.426	4.810	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@@H]1C=CCCCC1	2037271755	KBSOZESXBCEYAY-WBVHZDCISA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(CN)[C@@H]1CCC2(CCCC2)C1	2037689533	GKFAPYHVYCBEEP-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CCC1(c2nc3c([nH]2)[C@H](C)CC[C@H]3C)CCCC1	2038007292	NHWJIYVACIBSQJ-VXGBXAGGSA-N	246.398	4.632	0	10	BJAE	
C[C@](N)(CC1CCCCC1)CC1CC2(CCC2)C1	2038079221	SRBWRKUGPPJQAI-INIZCTEOSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(F)cc(C(=O)[C@@H]2CCC[C@H](C)CC2)c1	2039375839	PUOFUGQLQYGSJK-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CC1CCC([C@H](C)NCC[C@@H]2CC=CCC2)CC1	2040637847	GBUSNWNNKCKNHP-VUROTCPHSA-N	249.442	4.537	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)c1ccc(CC)cc1	2040725360	FZJAELKGYAMOGT-INIZCTEOSA-N	247.426	4.726	0	10	BJAE	
CC[C@@H](C(=O)c1ccc(CC2CC2)cc1)C(C)C	2040736125	UGBAHNYTEKYMSO-MRXNPFEDSA-N	244.378	4.504	0	10	BJAE	
CC1(C)CCC[C@@]1(C)NC[C@@H]1CC12CCCCC2	2041737036	RGZMLZZEURWTBB-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)NCC1(C[C@H]2CCC=CCCC2)CC1	2045323249	KWPQGVRQGXLBPT-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H]1CCCC[C@H](C[C@H]2CCC=CCCC2)C1	2045325220	CJDRAPPIDVLIQO-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCC1)C1(C)CCCCCC1	2045795952	CWKNWGADDKGGIV-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CN[C@@H](CC1CCCC1)C[C@H]1CC12CCCCC2	2047007125	GCXAPJZUONVFGY-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CC(C)NC[C@]1(CC2(C)CCC2)CCC12CCC2	2047940933	YRDMVXRMKBNYJG-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCCC1CC1)[C@H]1CCC12CCC2	2047943642	SODAIUMIQHBBAO-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@](N)(C[C@@H]2[C@H]3CCCCC[C@H]32)C1	2048444158	YRAPBFVVVORVNS-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc(NC[C@H]2[C@H]3CCCCC[C@H]32)c1C	2048448032	GFYLNADXUSHBML-MUJYYYPQSA-N	243.394	4.542	0	10	BJAE	
CCC(=C[C@H]1[C@H]2CCCCC[C@@H]12)CNC(C)(C)C	2048557995	XEKVAKVNCGWCRZ-MUJYYYPQSA-N	249.442	4.537	0	10	BJAE	
CCC[C@](N)(C1CCCC1)[C@@H]1[C@H]2CCCCC[C@H]21	2049212042	OTNWDIWZPUTQLF-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@H](C)NCC2CCC=CCC2)C1	2049542844	HJSOUSKPSWLTIA-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@H](CC)c1ccccc1	2051409706	TXTSZOOQABKXMT-SJORKVTESA-N	245.410	4.515	0	10	BJAE	
CNC[C@@]1(CC2CCCCC2)CCCCC12CC2	2053361214	SLTRVCVHNVVSSI-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)[C@@H]2CCCCC23CCC3)C1	2053410251	DQOYUIIAZONTPS-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NC[C@H]1CCCCC12CC2	2053430853	MFQYBXPNEYFHDZ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC(C)(CNC[C@@H]2C=CCCC2)CC1	2056535794	JKPJFVUVLIIAFL-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](C=C2CCCCC2)NC)C1	2056875020	BXTJEOWYOZXSDP-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CC[C@H](C)CC[C@H]1C[C@H]1C=CCCC1	2059000605	SRJAISBSSRMEOJ-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCC1CCC([C@@](C)(N)C2=CC[C@H](C)CC2)CC1	2060914376	RHDZPCJCVGWMEU-DXCHVLGVSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C1=CC[C@@H](CC)CC1)C1(C(C)C)CC1	2061145343	YDZBPFUULUBBNQ-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C1=CCC(C)(C)CC1)C(C)(C)C1CC1	2061147845	QMVHEQLKQSSLAK-OAHLLOKOSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)CC[C@@]12CCC[C@@H]1C2	2061639131	RAEWROBNRWEUMD-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
c1cc2c(c(CC3CC(=C4CC4)C3)c1)CCCC2	2061725122	BEFFWSZNJUJZRK-UHFFFAOYSA-N	238.374	4.608	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@H](N)C2CCC3(CC2)CC3)C1	2062825481	IMKIJYLATPVGJK-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC2(CC(C[C@H](N)CC3CCCC3)C2)C1	2063202639	BJJGIJQVTXOYPC-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](N[C@H](CC)c1occc1C)C1CCC1	2063682728	ZVHZAOFJCFVAEQ-CABCVRRESA-N	249.398	4.598	0	10	BJAE	
CCCC1([C@@H](N)C2CC3(C2)CC(C)(C)C3)CCC1	2063792227	GDVJRIKJNIWOAA-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@@H]2CC[C@]3(C)C[C@@H]23)cc1	2065658549	UGWHSJNNUFLMSK-KKBVYLPWSA-N	243.394	4.801	0	10	BJAE	
CC(C)(C)CC1CC(N)(C[C@H]2C=CCCCC2)C1	2067987025	QNDNXEUUASGVMQ-UQPPLGOBSA-N	249.442	4.667	0	10	BJAE	
CCN(CC(C(C)C)C(C)C)c1ccc(C)cc1	2068924778	PFCPRJPIDZLDEY-UHFFFAOYSA-N	247.426	4.750	0	10	BJAE	
CC(C)C(CC[C@@H]1NCc2ccccc21)C(C)C	2068959635	IMJBZFRZXZDXPJ-KRWDZBQOSA-N	245.410	4.539	0	10	BJAE	
c1cc(N[C@H]2CC[C@H]3C[C@@H]2C3)cc(C2CCC2)c1	2069345733	XVYXHAKLCRYECQ-MJEQTWJJSA-N	241.378	4.555	0	10	BJAE	
CC1(C)CCC(CNC2(CC3CC3)CCC2)CC1	2069492370	OFCNIRLUCNLQQI-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](NCC1(CC2CCC2)CC1)C1(C)CCCC1	2069562038	PDNQJGMOHCQCCZ-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1(CC[C@H](N)c2ccccc2)CCC1	2071947057	WVWMLEFLQPQGKR-HNNXBMFYSA-N	245.410	4.683	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1[C@@H](N)CC1(C(C)C)CCC1	2071947321	YVJYSTCZPNAWAB-PMPSAXMXSA-N	249.442	4.523	0	10	BJAE	
CCN[C@H](CC1(C(C)C)CCC1)c1ccccc1	2071950881	QXRIAUKJPRHUHK-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
CCCC1CCC(C[C@H](N)[C@@]2(C)C=CCC2)CC1	2072795015	ZUPSJMJLRJUUML-GQGLESIBSA-N	249.442	4.667	0	10	BJAE	
CCCCC[C@](N)(CC)Cc1ccc(C)c(C)c1	2073340533	MRARVZWEIDRECK-QGZVFWFLSA-N	247.426	4.534	0	10	BJAE	
CCCc1ccccc1OC[C@]12CCCC[C@H]1C2	2074094725	NKWXDLWMDMBCAV-DOTOQJQBSA-N	244.378	4.598	0	10	BJAE	
C[C@@H](C=C1CCNC2(CCCC2)C1)CC(C)(C)C	2074132332	CBOITVPCUARSDR-AWEZNQCLSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@H]1C[C@H]1CCNC2(CCCCC2)C1	2074137590	BYDPTNLCFFQSCN-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)n(C[C@@H]2C[C@H]2C2CCCCCC2)c1	2079815095	QBKOASUGBAAZEU-IRXDYDNUSA-N	245.410	4.711	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@@H]2C[C@H]2C(C)(C)C)C1	2079868342	ZBMLMWKPVJUDMP-CYUUQNCZSA-N	248.410	4.620	0	10	BJAE	
CN(C1CCCCC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2081135510	CPVMAYPJUVRIDO-USXIJHARSA-N	249.442	4.610	0	10	BJAE	
C[C@@H](CCC(C)(C)C)NC1C2(CCC2)C12CCC2	2083547690	DEJVHPIKKZBQSJ-ZDUSSCGKSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@@H]1CCCNC12CCCCC2	2083818381	VPFKCHNVWYEACQ-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC(C)=C(C)CCc1scc(C)c1C	2209531414	UGIRRONUZHPKGH-UHFFFAOYSA-N	208.370	4.654	0	10	BJAE	
CC[C@@H]1C[C@@H]1C[C@H](O)CCCCCCC1CC1	2213575716	ILOGYNRLRQKMKS-BZUAXINKSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@](O)(CCCCC2CC2)C1	2214562807	LDXNUCWCNJDMSC-CZUORRHYSA-N	238.415	4.534	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)c2cc(C)sc2C)C1	2215459914	XQYVXVMQKFOXGP-RNCFNFMXSA-N	248.391	4.540	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216255046	BOUFWTSRADBVPA-QLFBSQMISA-N	239.447	4.760	0	10	BJAE	
CC1CC([C@@H](N)CCCCCCCC2CC2)C1	2216862513	KTWLTCDPZVVZKG-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCC[C@](C)(CN[C@@H](C)CC)C1CC(C)(C)C1	2217125277	NXXIGTAQMYAHSP-XJKSGUPXSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)[C@H]1CC=CCC1	2218331572	JYHIJWGDLTTZCQ-JJXSEGSLSA-N	246.394	4.518	0	10	BJAE	
CC1(C[C@H](N)[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1	2218351699	QROKKJNORZGYAY-FZKCQIBNSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(NCCCCCCC2CC2)c(F)c1	2218717673	GREUAZLATMCWON-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
N[C@@H](CCCCC1CC1)[C@H]1C[C@@H]1C1CCCCC1	2220043661	BAKBIPOEBCVKAQ-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCC1(C)CC2(CCC2)C1	2220939394	MYBZRHGFJLRGPI-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@](C)(CN[C@@H]2CCC[C@H](C)[C@H]2C)CC1	2221643622	OCQMEAULLXQZIV-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CC(C)=CCCNC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2222930931	RXPWUHWFIOWFMB-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCC1(N)CC(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1	2222969732	FOAGOVARAIOIAH-LQWAEYHHSA-N	249.442	4.501	0	10	BJAE	
CCC(=CC[C@H](C)CCCC(C)C)[C@@H](C)N	2244844826	GXPMUKMQBNJCCU-ZIAGYGMSSA-N	225.420	4.523	0	10	BJAE	
CCCN[C@@H](CC1(C)CC(C)C1)[C@H](C)CCC	2246454138	LIYMKYWZAKEHDY-FYRZTWFESA-N	239.447	4.617	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@H]1CCCCC12CC2	2246615950	ZAJMXWMLQWTZNC-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@](C)(O)CCCC[C@@H]1C[C@@H]1C	2247129154	MRGQUDMAJXPKNB-ARFHVFGLSA-N	238.415	4.700	0	10	BJAE	
CC(C)CC1(C(=O)CCCC[C@H]2C[C@@H]2C)CC1	2247160783	WZJJGAVYPGUGKQ-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)C[C@@H](O)CC[C@@H]1CCCC12CC2	2247608148	HJTOOVFTYDYOFQ-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](CC)C[C@@](C)(N)[C@H]1CC12CCC2	2248308925	PIIFAJYCHQMOHO-RRFJBIMHSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](CC)NCC(C)(C(C)C)C(C)C	2248381600	DJCGIZURXPMXKL-OAHLLOKOSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)C[C@@H](N)c1cc(C)c2sccc2c1	2248580144	UXAACIMEQADLRG-IINYFYTJSA-N	247.407	4.646	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cccc(C(C)C)c1	2250356374	QMRDSWLSLSYYCT-CZUORRHYSA-N	234.383	4.670	0	10	BJAE	
CC(C)CCC[C@H](C)CCNC1(C)CC=CC1	2250529053	OMGYQSWGHZWXET-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@]12CCCC[C@@H]1CC2	2251103794	KBJUJLPPFYJVLY-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)C[C@@]12CCCC[C@H]1CC2	2251188104	QBZJYAVXRDFBDY-VGWMRTNUSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)C[C@]1(N)CC(C)(C)CCC1(C)C	2251665685	MHWAYKOVHWDFHY-CJNGLKHVSA-N	239.447	4.747	0	10	BJAE	
CC1CC(C)(C[C@@H]2C[C@H](C)c3ccccc3N2)C1	2253752204	LSDNNNIPNCAKCF-CWVKQELPSA-N	243.394	4.801	0	10	BJAE	
CNC1CCC(CC[C@H]2CCCCC23CC3)CC1	2253889286	KTCRTRINKVXDRU-HWOWSKLDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@]23CCCC[C@H]2C3)C1	2253930116	LVEIWBWIEALHOG-NRKLIOEPSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)C(=O)CCC12CC3CC(CC(C3)C1)C2	2253979347	WCKNDAMGTZRGLP-JISDDCRVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@H](N)[C@@H]2CCC23CCC3)C1	2254022318	RSLJGTAFNKOVRV-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
Cc1cccc2c1ccn2CCCC[C@@H]1C[C@@H]1C	2254522663	PPBHTNMXHGCRQR-LSDHHAIUSA-N	241.378	4.776	0	10	BJAE	
CC1([C@@H](O)CC2=CCCCC2)CCC2(CC2)CC1	2255092375	UAEGYSQMGSQNNG-HNNXBMFYSA-N	248.410	4.598	0	10	BJAE	
C[C@H](NCC[C@H]1CCCC12CC2)C1(C)CCCC1	2255245180	KJEFOPXQTABFJR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC1([C@H](N)CC[C@H]2CCCC23CC3)CCC1	2255272233	YOBACCQOYJAGFE-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](C)(N)[C@H]1CC12CCC2	2257317947	AOSSSFMLRKNQJF-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CCNCC12CC2	2259613264	IHKDKLGPKHEOOT-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@@]12CCC[C@H]1CC2	2260505319	HBSQQOXUGFVTRY-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCCC1(CC(=O)[C@]23CCCC[C@@H]2CC3)CCC1	2260550046	QWFXGENFSKGVBS-PBHICJAKSA-N	248.410	4.886	0	10	BJAE	
Cc1ccc2ccn(C[C@@]34CCC[C@H]3CC4)c2c1	2260576782	AXHGOFGISIMYIG-RDJZCZTQSA-N	239.362	4.530	0	10	BJAE	
CC1(C)CC(C)([C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2260577995	JDQUUCRUOPMYFC-CPUCHLNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C1CCCC1)[C@H](N)C[C@@]12CCC[C@H]1CC2	2260599058	DCIOGMALVGISEQ-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
C(CNc1cccc(C2CCCC2)c1)=C1CCC1	2260723495	OGWGSIKONPHRMP-UHFFFAOYSA-N	241.378	4.866	0	10	BJAE	
Cc1ccc(CCC2CC(=C3CC3)C2)c(F)c1F	2260942504	QJVZHTXIRVVTNT-UHFFFAOYSA-N	248.316	4.706	0	10	BJAE	
CC(C)(C)CC1CC(C(=O)C[C@@H]2C=CCCC2)C1	2261187151	WNHBUYAHHPKLJT-WLYUNCDWSA-N	248.410	4.764	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CC(C(C)C)C(C)C	2300476162	RYBKUJURVJUPKS-MRXNPFEDSA-N	242.447	4.882	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C(C)(C)C1CC1	2300682599	AFCVQNJZGSRGEZ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC(C)=CC[C@H](NC)[C@H]1CCCCC1(C)C	2300909699	QREXWKDTJDFNRJ-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@@]1(N)CC1CCCCCC1	2301146230	WVHWDPAKVOOANX-CJNGLKHVSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC[C@H](O)[C@@H](CC2CCCCCC2)C1	2301238833	KLCAVWYACUXJEI-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)CCCCCC1CC1	2301698630	RJMQIGKDMLTODR-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CC1(C)CC[C@@H](c2nc([C@H]3CC3(C)C)cs2)C1	2302263357	UPPSKILKHJOKNO-GHMZBOCLSA-N	249.423	4.950	0	10	BJAE	
C[C@@](N)(CCCC1=CCCCC1)c1ccsc1	2302332907	ZBNFZSMAFYAFQB-OAHLLOKOSA-N	249.423	4.593	0	10	BJAE	
C[C@@H](CC[C@H]1CCC(C)(C)C1)CNC(C)(C)C	2302760639	KGUMKVCWGUKGHB-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCc1cscc1N[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C	2302884462	FRKNIRONXCKDBE-SGMGOOAPSA-N	249.423	4.547	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@H]1CC[C@@H]1C(C)(C)C	2303402588	TUWIODVSKXSZBV-KKUMJFAQSA-N	237.431	4.536	0	10	BJAE	
CC(C)C(C)(C)CC(=O)[C@H]1CC[C@@H]1C(C)(C)C	2303445174	OYCFACCRYBVDEU-STQMWFEESA-N	238.415	4.700	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)c2cc(C)cs2)CC1	2303533741	ZUUNEJXYLTYTMA-UONOGXRCSA-N	249.423	4.583	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC[C@@H]1C[C@H]1CC	2303609076	CHLRTNPRIBUJQM-YJNKXOJESA-N	236.399	4.598	0	10	BJAE	
CN[C@H](CCC(C)C)CC[C@@H]1CCC(C)(C)C1	2304434635	DXTUWPQYJHCWEF-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
c1sc(C2CCCCC2)nc1[C@@]12CCC[C@H]1C2	2307695342	PSBVGGFIHQVSJN-SWLSCSKDSA-N	247.407	4.632	0	10	BJAE	
CCC[C@H](CC)C[C@]1(N)CCCCC[C@@H]1CC	2307827019	TUFPKJWWFRWFOB-HRCADAONSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)C(C(C)C)C(C)C	2307899912	DLZCFYZPLVSMIP-GJZGRUSLSA-N	241.463	4.719	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(C)(C)CC[C@@H]1N	2307905770	ZEVVWKXKTXRVDQ-ZNMIVQPWSA-N	239.447	4.747	0	10	BJAE	
CCN[C@@H](CC[C@@]12CCC[C@@H]1C2)C1(CC)CCC1	2310383118	DLKFVRVCIUGFTQ-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC1(C(=O)C[C@H]2CC[C@@H]3C[C@H]23)CCCCCCC1	2310924670	HBTNKDKXAOWBKD-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1C[C@H]2CC[C@@H]1C2	2313170735	OOXAEMGXVNMIOO-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCCCCN1C[C@@]12CCCC[C@H]1CC2	2313614539	QQDWISSANSYTSG-RDJZCZTQSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](CC1CC1)N(C)C1CCC2(CCCC2)CC1	2313640477	AQFRDEGPCAQTSR-AWEZNQCLSA-N	249.442	4.610	0	10	BJAE	
CC=CCCC[C@H](NC)[C@H]1C[C@H]2CCC[C@H]1CC2	2316690536	MPOAIVYIKYNBGJ-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC1(C(=O)CC2CCCCCC2)CC2(CCC2)C1	2317005022	SDPRWZDDJIHKHD-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCCC1CCC(C=CC2(N)CCCCC2)CC1	2318955655	ASGGHCKUXQDFRD-UHFFFAOYSA-N	249.442	4.811	0	10	BJAE	
CC(C)C1(C(=O)CC[C@@H]2CC[C@@H]2C2CC2)CCC1	2319734585	QVPQYXJKXSGHKU-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CC=C([C@H](N)[C@H]2CC[C@@H]2C(C)(C)C)CC1	2320209798	VRYRYEXNPNDCOK-OEAJRASXSA-N	249.442	4.523	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@H]1CC[C@H]1C(C)(C)C	2320215058	GWAZKEXGJXAHHM-UONOGXRCSA-N	244.378	4.558	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1CC(=O)[C@H]1CCC12CCC2	2320258823	PBMUCXNMPMATFM-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)C[C@@H](C)CC[C@H]2C)CC1	2320328497	PUWJOZGMVXNVTC-WBQNTZJQSA-N	249.442	4.667	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](O)c1cccc(C(C)C)c1	2320582913	WTPIMFDQHWYNBK-RHSMWYFYSA-N	248.410	4.916	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(CC[C@@H]2CCC(C)(C)C2)C1	2321610523	IEPYHWMCFCWAQM-HLLBOEOZSA-N	249.442	4.667	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)C[C@H](C)C2CC2)c1	2327673431	OZHIUIYEAMVICV-GUYCJALGSA-N	245.410	4.554	0	10	BJAE	
CC[C@@H]1CC[C@@](O)(c2cc(C)ccc2C(C)C)C1	2327700545	BXVSBNGBRUWBKW-PBHICJAKSA-N	246.394	4.516	0	10	BJAE	
CCC(CC)[C@H](N)c1c(C)c(C)c(C)c(C)c1C	21021523	FEKCXPVKVQTCLK-KRWDZBQOSA-N	247.426	4.665	0	10	BJAE	
Cc1ccccc1N[C@H]1C[C@@H](C)CC[C@H]1C(C)C	21514614	NNHFFAKNLHWZMW-QRTARXTBSA-N	245.410	4.868	0	10	BJAE	
CC[C@H](Nc1cc(F)cc(F)c1)c1ccccc1	21803737	NOIYWWGJWUDNOJ-HNNXBMFYSA-N	247.288	4.528	0	10	BJAE	
CCCCCNCC1CCC(CCCC)CC1	62435018	ZJPKOZZMSNQJBU-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CN[C@H](CCC(C)(C)C)c1cc2ccccc2o1	62797808	QUYBJPCKZITKOK-CYBMUJFWSA-N	245.366	4.520	0	10	BJAE	
CCCCCCC1(CNC(C)(C)C)CCC1	83571025	VTSVRSDKFZQFTK-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
CCC[C@H](C)CC(C)(C)[C@H]1CC[C@H](C)CC1=O	85155459	GNTWBPDZZLJZSE-IHRRRGAJSA-N	238.415	4.844	0	10	BJAE	
Cc1ccc(C)c(N[C@H]2CCC[C@H](C)CC2)c1	86879258	PMEHGVQESPUGPI-WFASDCNBSA-N	231.383	4.684	0	10	BJAE	
COc1ccccc1-c1ccc(C(C)(C)C)cc1	90555186	HEEPGZRKNRWQFJ-UHFFFAOYSA-N	240.346	4.660	0	10	BJAE	
c1ccc(-c2cccc3ccsc23)cc1	96327288	DTMDHRPREDRCGM-UHFFFAOYSA-N	210.301	4.568	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)c1cccc(C)c1	103939522	FFNCXBHETYUGFJ-KRWDZBQOSA-N	245.410	4.616	0	10	BJAE	
CC[C@H](C[C@H]1O[C@@H]1CC)c1ccc(C(C)C)cc1	107635466	KNJWLOUBRMAVRM-KBRIMQKVSA-N	246.394	4.871	0	10	BJAE	
CCCC[C@@H](C)N[C@@H]1CCCCc2ccccc21	109946642	JAJQRXAJEHHFBW-RHSMWYFYSA-N	245.410	4.622	0	10	BJAE	
CCCN[C@@H](c1ccc(C)c(C)c1)C(C)(C)CC	110212630	WXWGSJCQIFMLBL-INIZCTEOSA-N	247.426	4.780	0	10	BJAE	
CC[C@H](C)CC(=O)c1cccc(CC(C)C)c1	127650830	CKWXOKLBMHCALQ-ZDUSSCGKSA-N	232.367	4.504	0	10	BJAE	
C[C@@H](CC1CCCCC1)[C@@H](C)CNC(C)(C)C	133203356	SDCXSHMBALADMT-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
Cc1cc(C)c([C@H](O)C2=CCCCCC2)c(C)c1	203413050	TWTIHPIFEGGHKH-QGZVFWFLSA-N	244.378	4.536	0	10	BJAE	
CC(C)[C@H]1CCCC[C@H]1N[C@H](C)c1ccccc1	214630732	RJJQPZHIBPSGBC-DJIMGWMZSA-N	245.410	4.552	0	10	BJAE	
CCC[C@@H]1CC[C@@H](N)[C@@H](CC2CCCCC2)C1	217693139	GVUHKBJRKUKHLA-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@@H](C)[C@@H](Nc2ccccc2Cl)C1	221645729	CFDXCNYUQZHVPT-GYSYKLTISA-N	237.774	4.577	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@H]2CCC[C@@H]2C)cc1	226524652	XZUMIXSCDSRFLJ-XEZPLFJOSA-N	244.378	4.819	0	10	BJAE	
Cc1cc(C)c(N[C@H]2CCC[C@@H](C)[C@H]2C)c(C)c1	227028820	IXZZUEGOKWNTTC-WQVCFCJDSA-N	245.410	4.848	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)c1cccc(C)c1C	229340031	RMOYEUIGHWKABL-XIRDDKMYSA-N	245.410	4.520	0	10	BJAE	
C[C@H](Nc1ccccc1)c1csc(Cl)c1	230410517	IYGJCVCTKXYTKS-VIFPVBQESA-N	237.755	4.575	0	10	BJAE	
CC(C)CCCN[C@@H]1CCC[C@H](CC(C)C)C1	230770132	MJJZTRQMWRMNRX-HZPDHXFCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1cc(C)c(O)cc1C	233848185	FLAJPNORFGMXET-RISCZKNCSA-N	249.398	4.636	0	10	BJAE	
Cc1cccc(N[C@H]2CC(C)(C)C[C@H]2C)c1C	235243980	PZHPIAXWTUYLOR-DOMZBBRYSA-N	231.383	4.540	0	10	BJAE	
CC[C@H]1CCCCN1C1=CC[C@@H](C(C)(C)C)CC1	242547818	KUHGQWHOJHKCKZ-CABCVRRESA-N	249.442	4.981	0	10	BJAE	
CC(C)CNC[C@H](CC(C)C)[C@H](C)CC(C)C	302559433	LZMMKDYLUTVFGC-CVEARBPZSA-N	241.463	4.577	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CCC1CCCC1	305896612	LOKPJEDCIGERRI-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
Cc1ccnc(C)c1NC(CC(C)C)CC(C)C	306087362	KKHBSMYNERJRTH-UHFFFAOYSA-N	248.414	4.571	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@@H](O)c1ccc(CC)cc1	307984557	AMGIXPNBOISNDE-IRXDYDNUSA-N	248.410	4.745	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](O)CCC(C)(C)C	308036294	UMIQBKHGFCBJRB-KGLIPLIRSA-N	228.420	4.636	0	10	BJAE	
Cc1cc(C)cc(N[C@H](C)CCC(C)(C)C)c1	310139316	AERZVEJAHUZGSO-CQSZACIVSA-N	233.399	4.930	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCCCC12CCCC2	310322065	ZBNOQHAZVWUHEV-GJZGRUSLSA-N	237.431	4.658	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](CC2(C)CCCC2)C1	310478665	CJUGIGHQVVNKGN-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@H](O)C(C)(C)C(C)(C)C)C1	310551572	GOSSAHWZPQQPCC-MCIONIFRSA-N	240.431	4.636	0	10	BJAE	
C[C@@H]1CCC[C@H](CC(=O)[C@@H]2CC3CCC2CC3)C1	311180528	XMFYQSNGLZOTBX-CMTNHCDUSA-N	248.410	4.598	0	10	BJAE	
CCCCC1(CNC(C)C)CCCCCCC1	317998596	XTDBWJHUOFJCMS-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC(C)(C)C)CC[C@@H](C)C1	318037853	QNCHPHZQDOTFDQ-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
CCCNCC1([C@H](C)[C@@H](C)CC)CCCCC1	319525746	DTLIIUUOAWCQSL-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]([C@@H](C)[C@@H](C)CC)C1	319933160	NWWHZRFGVSMWIB-YHUYYLMFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1ccc(C(C)(C)C)cc1	320013487	FFSKEVFPORGAIF-OLZOCXBDSA-N	246.394	4.849	0	10	BJAE	
CN[C@@H](CCC1CCC(C)(C)CC1)CC(C)C	383923056	RFEXXRKKDBYGSJ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H]1CCC[C@@H]1CCC1=CCCCC1	384931710	IKZZHNWJNSEPQD-IAGOWNOFSA-N	249.442	4.683	0	10	BJAE	
c1ccc(-c2ncc(-c3ccsc3)s2)cc1	394809657	ZMAUFLUOPYXHMP-UHFFFAOYSA-N	243.356	4.539	0	10	BJAE	
CCc1cccc(C)c1NC[C@@H]1CCCC[C@H]1C	394876292	DNBRLMTWGRTJPV-CJNGLKHVSA-N	245.410	4.796	0	10	BJAE	
CCN[C@H](CCC1CC1)c1ccccc1C(C)C	395544608	VILVQILPFHAFLJ-QGZVFWFLSA-N	245.410	4.651	0	10	BJAE	
CCOc1cc2cc(Cl)c(CC)cc2s1	396191340	PEHIIRJBQVJBMA-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CCOc1cc(C(F)F)cc2cc(C)sc12	396241007	LLCBMMIZVLDKBW-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CSc1ccc2c(C(F)F)csc2c1C	396410228	RNUPRGHPOFWFKK-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
Cc1ccc(N[C@@H]2CC[C@H]3C[C@H]2C3(C)C)c(C)c1	400682720	XIBLRUZVSHEVKA-SQWLQELKSA-N	243.394	4.540	0	10	BJAE	
CCCN[C@@H](CC1(C)CC1)C1=CCCCCCC1	401359780	QNXQTWFBNPUVJY-INIZCTEOSA-N	249.442	4.825	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1/C=C(\C)CNC(C)(C)C	401759089	RFSDOAHKQNUBHM-MLOLEURXSA-N	237.431	4.537	0	10	BJAE	
Cc1cc(Cl)cc(C(=O)C[C@H]2CC=CCC2)c1	402172241	XPXOEVTYOMBWDP-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
CC(C)CC1([C@@H](O)CCCC2CC2)CCCC1	405974944	GSZQFJYCHSNBSU-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](NCC1(C(C)C)CCC1)c1ccccc1	687269181	RIKAOJRPZWXDOW-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CCCC1(CNc2ccc(CC)c(C)c2)CC1	687547657	KNYUEYJIGMWYHB-UHFFFAOYSA-N	231.383	4.550	0	10	BJAE	
CCCC1(CNc2c(C)cc(C)cc2C)CC1	687548769	SPNFAFISJRAKIP-UHFFFAOYSA-N	231.383	4.604	0	10	BJAE	
CCCN[C@H](c1cccc(C(C)C)c1)[C@@H]1C[C@@H]1C	688940447	ROEWTQSXIDNQPQ-IAOVAPTHSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)SCCNc1ccc(C2CC2)cc1	690088249	UGZAYYSAVVFMJS-UHFFFAOYSA-N	249.423	4.508	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1Nc1cccc(F)c1	691107363	WWJQQDUXFUUBHA-HOTGVXAUSA-N	249.373	4.843	0	10	BJAE	
CC(C)C[C@H](C)N[C@@H]1CCCCC[C@H]1C(C)C	691169161	SQDXPFZQVNCLBV-HRCADAONSA-N	239.447	4.616	0	10	BJAE	
CCN[C@@H](CC1CC=CC1)[C@H]1CCCCC1(C)C	692104545	FXCYVXNMGBKVJQ-CVEARBPZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)[C@@H](C)C1CCC1	692725784	PTABEDYFSSMPGT-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(C(=O)[C@H]2CCCC3(CC3)C2)C[C@H](C)C1	695914674	CVHLTAAKSBRKMU-MCIONIFRSA-N	248.410	4.598	0	10	BJAE	
CCCCCC[C@H](O)CCC(C)(C)CC	696549832	JRFONRFRHXSBSQ-ZDUSSCGKSA-N	214.393	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCC[C@@H]1CNC(C)C	696806911	PQVYBNORTRAQPQ-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
C/C=C/[C@H](NCCC)c1ccc(C(C)(C)C)cc1	704639421	HULMDTPMFLIBME-BVBGJJFLSA-N	245.410	4.601	0	10	BJAE	
CCC[C@H](C)CC1(N)CCC2(CCCC2)CC1	707777582	OHROPJFFFJBAFI-AWEZNQCLSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@H](CC)N[C@H](C)[C@]12CCCC[C@H]1C2	708874016	CKEMHXOFVHGICY-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CC[C@H](N)[C@H](C[C@@H](C)CC(C)(C)C)C1	709110867	ZRUTYFLBVHSREV-TUVASFSCSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C1CCCC1)C12CCC(CC1)CC2	710264406	WNUARQRXFVBFQW-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@H](C)Oc1cc(C)c(N)cc1C	710810505	IKEOBACKKOCKCB-CQSZACIVSA-N	249.398	4.623	0	10	BJAE	
CC[C@H](C[C@@H](O)c1cccc(C)c1C)C(C)(C)C	711087321	OIQJZIZEPRIGBC-GDBMZVCRSA-N	248.410	4.799	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CCCC2CCC2)c(C)c1	711168656	JDJOZOCFQOUNPK-INIZCTEOSA-N	245.410	4.582	0	10	BJAE	
CCC(C)(C)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N	713265937	QWFMOZBDJHXZQF-IHRRRGAJSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1CCC(C)=C(C)C	718490044	AWUDWUNEALQAPT-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCN[C@@H](CCC(C)=C(C)C)C(CC)CC	718573885	REYBDBUJXNPXFF-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)C[C@@H]1C[C@H]2CC[C@H]1C2	718578336	ISAKSNPSCLCSNF-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CCC(C)(C)CC(=O)c1cccc2ccsc12	829284174	NTAGYTBPOHUJFS-UHFFFAOYSA-N	246.375	4.910	0	10	BJAE	
C=C/C=C/CCN1CC[C@H](CC(C)(C)C)C1(C)C	1460226634	YUAZGOSBHKAUBK-XVJNWHFHSA-N	249.442	4.655	0	10	BJAE	
Cc1ccc(C)c(CSc2ccc(F)cc2)c1	1643356640	DEKOXBSTLDGCJS-UHFFFAOYSA-N	246.350	4.735	0	10	BJAE	
CC1(C)CCC(C)(CNC[C@@H]2CC=CCC2)CC1	1656459367	AKBUZEXEUCXPEB-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
Cc1cc(-c2cc(F)ccc2Cl)cs1	1889509219	DGZNTHBVOXTUJJ-UHFFFAOYSA-N	226.703	4.516	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)CCC(CC)CC	1900700063	BBCYNUFIVDFPMV-ZFWWWQNUSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC[C@@H](c2nc([C@H]3CC3(C)C)cs2)C1	1901906271	CWKPMOVZLHJJNA-GMTAPVOTSA-N	235.396	4.560	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@@]12CCC[C@@H]1C2	1908447008	XNVNDELBGUIMAK-BZUAXINKSA-N	237.431	4.515	0	10	BJAE	
CCCCCCN(C)C[C@@H]1CCC[C@H]1C(C)C	1909994597	MKQAXRCLJDWDEL-HOTGVXAUSA-N	239.447	4.571	0	10	BJAE	
C=CC=CCCC(=O)c1ccc(SCC)cc1	1911783740	PNVBWFKCVYXXSJ-UHFFFAOYSA-N	246.375	4.504	0	10	BJAE	
CCN[C@@H]1C[C@H](C)CC[C@@H]1CCC(C)(C)CC	1916007610	WBNIDHQSMJPHDY-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](O)(CC)C[C@H]1CCC[C@H](C)C1	1919522256	HOMCAQSHQFOUGC-SOUVJXGZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CC[C@@H]2CC2(C)C)C1	1921418765	ISZVIHHUBPKWGW-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C1CCCC1)[C@@H](O)CC1(C)CCCCC1	1923888366	RFQASTYHMQURHN-ZFWWWQNUSA-N	238.415	4.534	0	10	BJAE	
C[C@H](C(=O)CCCC1(C)CC1)C1CCCCC1	1924095763	XNUBALJXFJYHMR-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
Cc1c(C)c(C)c(-c2cscc2N)c(C)c1C	1925105861	MZZFMBQYLGZANA-UHFFFAOYSA-N	245.391	4.539	0	10	BJAE	
CCCC[C@@H](CCC)NC[C@H]1C=CCCCC1	1925919416	DNHDVQZYGKVHRV-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(NC[C@H]2C=CCCCC2)cc1Cl	1925934748	OAZLOMODBMPDFO-ZDUSSCGKSA-N	249.785	4.807	0	10	BJAE	
CC(C)c1cnc([C@H]2CCCC2(C)C)s1	1930067400	SROKWLLMGFPJAS-SNVBAGLBSA-N	223.385	4.560	0	10	BJAE	
CC(C)(CCCC1CC=CC1)C(F)(F)F	1930661818	OMGSTZXVHBQJGR-UHFFFAOYSA-N	220.278	4.711	0	10	BJAE	
CCCCCCC(=O)C(C)(C)CC(F)(F)F	1936409985	HUUIVZYSPGBRJG-UHFFFAOYSA-N	238.293	4.505	0	10	BJAE	
CCC(C)(C)CC[C@@](C)(N)[C@@H](C)CC(C)C	1939034865	AZKHZHCBODIMJN-DZGCQCFKSA-N	227.436	4.602	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NCCCC1(C)CC1	1940845411	GOXCCYDSUWSPHQ-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)C1(C)CCCC1	1940884069	QWZFYLRFDNGEBF-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CCCCCC[C@@H](NCCC)C(C)(C)C1CC1	1941140127	PTIDOWIHURHXJJ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)c1cccc2ccsc12	1941252992	SIGKBCWLEGOTAW-JSGCOSHPSA-N	248.391	4.617	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@@H](CCC)C(C)C	1941273040	PEMUODSIPMOINB-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@@H](CC(C)(C)C(F)F)NCCC	1941594851	LSQJBMPFVWEMNU-LBPRGKRZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)C(C)(C)C1CCCC1	1944646774	OKCDCMUSTZZPAD-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCC1(NC[C@H]2CCC[C@H](CC)C2)CCC1	1945282963	QKIIXXZENWXGOZ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(=O)[C@H]1CCC[C@H](F)C1)CC(C)(C)C	1946952221	HUUNVTNOWYDCRE-AGIUHOORSA-N	242.378	4.546	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1Nc1ccccc1CC	1947463661	PJDBHEKXWZCHIA-ZBFHGGJFSA-N	231.383	4.630	0	10	BJAE	
C[C@@H]1CC[C@H]([C@@H]2CCCCCCCCC2=O)C1	1949498697	XTAZAUFYSTWZSW-ILXRZTDVSA-N	236.399	4.742	0	10	BJAE	
CCC1CCC(C[C@@H](O)CC2CCCC2)CC1	1949868279	FZRBZFAPDHLMFV-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC2(C)CCCC2)CC1	1950930196	NFIARUJWOJIMLU-KGLIPLIRSA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1CC[C@@H](CNc2ccc(C3CCC3)cc2)C1	1969958344	GTRRAHFLDPYZPY-ZIAGYGMSSA-N	243.394	4.802	0	10	BJAE	
CC1(C)CCCCN([C@H]2CCC3(CCCC3)C2)C1	1971718316	UKAVUHYACLLUOC-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
CCCC(C)(C)CN[C@@H]1C[C@H](C)c2ccccc21	1973170846	LZGOFQRWAYDJFC-XJKSGUPXSA-N	245.410	4.651	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)C1(C)CCCCCC1	1978449600	AKAWVZADVIZCJJ-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCC1(CC)CCC(O)(CCC(C)C)CC1	1981065817	NPJPUEDSQLNEEH-UHFFFAOYSA-N	226.404	4.534	0	10	BJAE	
C/C=C/CCCC(=O)c1cccc(Cl)c1C	1984589011	KUQADFLMJDWEFR-ONEGZZNKSA-N	236.742	4.578	0	10	BJAE	
CCCCC[C@@H](O)CC1(C(C)(C)C)CCC1	1989439673	HGSYYRUTJCPYET-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CCCCC[C@H](CC)NC(C(C)C)C(C)C	1990090536	CNDBJUGUWHGPBD-AWEZNQCLSA-N	227.436	4.616	0	10	BJAE	
CCCCC[C@](O)(CC)CCC(C)(C)CC	1990092356	YKFXXHXBKWQTMB-OAHLLOKOSA-N	228.420	4.924	0	10	BJAE	
CCCC1(C[C@@](C)(N)CCC(C)(C)C)CC1	1990637917	NMJLLLMVEALOKN-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](C)N(CCC)C1CCCCCC1	1991731613	RGLHKCIFXZEXGB-AWEZNQCLSA-N	225.420	4.610	0	10	BJAE	
CCCC[C@H](C)CCC(=O)c1csc(C)c1	1995213561	DGAAXXNOVIPVDA-NSHDSACASA-N	238.396	4.846	0	10	BJAE	
Cc1ccc(-c2nc(CC3(C)CC3)cs2)s1	1995464713	FKYOULUSCHFSBO-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
CC[C@H](C1CCC1)N(C)C[C@H](C)CC(C)(C)C	1995742865	CDKNUWWOTHJALT-UKRRQHHQSA-N	239.447	4.569	0	10	BJAE	
CCC/C=C/CNc1ccccc1C(C)(C)C	1995866904	JWEQGIMMXNLAIH-JXMROGBWSA-N	231.383	4.752	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H](C)C1CCC(C)CC1	1996551223	ASSUUKJMAGCKEF-FYRZTWFESA-N	239.447	4.760	0	10	BJAE	
CC[C@@H](N[C@H](C)C1CCC(C)(C)CC1)C(C)C	1996551389	CJMGQPIOWVQMAU-UKRRQHHQSA-N	239.447	4.616	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(=O)CCC(C)(C)C)CC1	1997116675	MCWCXYWZOZQTIX-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
C[C@@]1(C(=O)c2ccc(C3CC3)s2)CC=CCC1	1997611799	OANTYYYDLYKQEN-OAHLLOKOSA-N	246.375	4.555	0	10	BJAE	
CCN[C@H](CCC1CCC1)[C@H](C)CCC(C)C	1998030393	QCQKOYFILGXQGN-GDBMZVCRSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@@H]2CCC=CCCC2)C1	1999984209	VRIPPHLPZCDMGU-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
CC(C)(C)[C@H](N)CCC[C@H]1CCC=CCCC1	1999994919	ZQHYVFNWHBMBHR-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C2CCCCC2)C1	2000059870	UMLCZBAPROFRCI-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CCC(C)=C(C)C	2000193994	VMDLFFVRYHTGTM-GJZGRUSLSA-N	236.399	4.908	0	10	BJAE	
CCC(CC)CN(CC)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2000899700	DXPUAEGVUIKYPY-FOLVSLTJSA-N	239.447	4.569	0	10	BJAE	
C[C@@H](NCCC(C)(C)C)[C@H]1CCCC(C)(C)C1	2003004747	HMWAXFWYVAOZMF-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](C)N[C@H](C)[C@@H]1CCC[C@@H](C)C1	2003014643	MAVKRPUNBVQKFF-QKPAOTATSA-N	239.447	4.760	0	10	BJAE	
CC(C)CC[C@H](C)[C@](C)(O)[C@H]1CCC[C@H](C)C1	2003017760	SZALFTIGGGMOGT-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCCCCC1CCC([C@H](O)[C@@H](C)CC)CC1	2003109042	RHADXBDSXYLFMS-SLTXQBBLSA-N	240.431	4.780	0	10	BJAE	
CCCN[C@@H]1C[C@H](CC)C[C@H](CC(C)(C)C)C1	2006627859	NPOCIHCYASPXHD-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)CNCC1(C)CCC(C)(C)CC1	2007681076	FOPFEKUKQCDFOG-CQSZACIVSA-N	239.447	4.619	0	10	BJAE	
CC(C)C1CC(CC(=O)C[C@H](C)C(C)(C)C)C1	2007773767	ZKDIBECNAQUFQG-HSBZDZAISA-N	238.415	4.700	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@@H]1CCCC(C)(C)C1	2007857759	VTLHJGWSGIYIPI-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC2CCC=CCC2)CC1	2009404503	OAZRPORMGCJQRK-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CC=CCCC[C@H](O)c1ccc(C(C)C)cc1	2009592779	NXMDHOKKDOCIPQ-INIZCTEOSA-N	232.367	4.590	0	10	BJAE	
CCCC[C@@H]1NCC[C@@]12CCC[C@@H](CC)CC2	2009771092	LICSNTUEGAJAHD-PMPSAXMXSA-N	237.431	4.515	0	10	BJAE	
Cc1ccc(F)c(CC2CC(=C3CCC3)C2)c1	2011087388	OMNZUXGLPLXIIZ-UHFFFAOYSA-N	230.326	4.567	0	10	BJAE	
CCCN[C@@H](CCC)[C@@H]1CCCCCC12CC2	2011275216	QGQDYLGKBJURJT-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CN[C@@H]1C[C@@H](CCC(C)=C(C)C)CC(C)(C)C1	2012055099	FXZJOIAFVHEIKK-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)C(=O)CC12CCC(CC1)C2	2012802620	IDQJEHWBPWRTBQ-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC[C@](O)(CCC(C)C)CC1CC2(CCC2)C1	2013264929	RBNHHZHEYORVSV-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](N[C@H](CC)CCC(C)C)C1CCC1	2013266400	GMOKAKYZEBRCAL-CVEARBPZSA-N	239.447	4.760	0	10	BJAE	
C[C@H](N[C@H](C)C1(C)CCCC1)C1CCCCC1	2014339147	KQGUAOMKOPMKGE-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
C/C=C/CCC[C@@]1(CNCCC)CCC1(C)C	2014845613	GXFIUWSYIAQWDY-YERXGYGTSA-N	237.431	4.539	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2015188449	RWLZNFOSNKTPMJ-YOWGUQMCSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(CCNCCCC(C)(C)C)C(C)C	2015346021	ABNNRZMEIZGOJM-UHFFFAOYSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@H](CC)CN[C@@H](C)CCC=C(C)C	2016149813	NEWSCXMIRQOWPQ-HOTGVXAUSA-N	239.447	4.927	0	10	BJAE	
CC[C@](N)(CC1CCCCC1)C[C@@]1(C)C[C@H]1C	2016459339	DDTCMGPJMDDJSP-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@](C)(O)CCC(C(C)C)C(C)C	2017701267	RAHZGXCJAJAQJZ-MRXNPFEDSA-N	242.447	4.882	0	10	BJAE	
CCCC1CCC(C[C@](C)(N)[C@H](C)CC)CC1	2017719772	CWMPPXRJKIWKNT-LMPOIIKSSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@](O)(CC)C1=CC[C@@H](CC)CC1	2018131296	SLMRKJTWTXPPDA-ZBFHGGJFSA-N	238.415	4.844	0	10	BJAE	
CCC1(C[C@H](O)C2(C)CCCCCCC2)CC1	2018968162	RLSQHQNKIPJWMK-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CCCC1(CC[C@@H](N)CC2CCCCC2)CC1	2018996295	GPRCHEMIMUGYFJ-OAHLLOKOSA-N	237.431	4.645	0	10	BJAE	
CC(C)C[C@H](C)N(C)[C@@H]1C[C@@H](C)CC(C)(C)C1	2019299664	LLGNRKHWQSMSBI-QLFBSQMISA-N	239.447	4.568	0	10	BJAE	
CCN(C1CCCCCC1)[C@@H]1CCCC[C@H]1C	2020500164	BOHBWCFWLCYXMZ-GDBMZVCRSA-N	237.431	4.610	0	10	BJAE	
CCC(CC)C[C@]1(N)CCC[C@@H]2CCCC[C@@H]21	2022995455	UKXGLOBXOBJMEN-HRCADAONSA-N	237.431	4.501	0	10	BJAE	
CCCc1cccc(-c2cc(Cl)c(C)cn2)c1	2023460401	RJVCXUBKVWCQJC-UHFFFAOYSA-N	245.753	4.663	0	10	BJAE	
CCCNCC[C@H](C)C[C@H]1CCCC(C)(C)C1	2024096898	WNUJSQURCKFJFX-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2C=CCCC2)C1	2024101295	JPOXJMJXORWLHX-UONOGXRCSA-N	234.383	4.518	0	10	BJAE	
CC1(C)C[C@](O)(CCC2CCCCC2)C1(C)C	2025017951	DKRIVAUGWBODHP-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC1	2027624955	LWTPPBFJBKYBSQ-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccccc1[C@H](N)CC[C@H]1CC1(C)C	2027811376	BHURBLLYDAZYGE-XJKSGUPXSA-N	245.410	4.636	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)c1c(C)cccc1C	2027820288	HBFDJPYMHSSFJG-HNNXBMFYSA-N	245.410	4.534	0	10	BJAE	
CCC[C@@H](C)[C@H](NCC)c1ccc(C2CC2)cc1	2028591400	SLUHFRALAJFXQS-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCC[C@@H](C)C[C@@H](O)c1ccccc1C1CCC1	2029075307	QGKJKBDCYJXDMH-CXAGYDPISA-N	246.394	4.814	0	10	BJAE	
CCCNCC(=C[C@@H](C)C1CC1)C1CCCCC1	2032149453	KRYOMKUPARZIHW-CQSZACIVSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](Nc1ccc(C2(C)CC2)cc1)[C@H]1CC1(C)C	2032242496	IGZLAFMRIBCSAC-IUODEOHRSA-N	243.394	4.585	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC1(C)C)C1=CCCCCC1	2032366618	UTQOBOWCHQLMAA-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(C)(C(=O)CC1[C@@H]2CCC[C@@H]12)C1CCCCC1	2032797103	ZSBYYVDNSOVPLW-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(NCC(C)(C)C2CCCC2)c1C	2034017585	LEKHBXOJBYQTCE-UHFFFAOYSA-N	245.410	4.932	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H](C)[C@H]2C(C)C)c1F	2035413112	UVYWOVRFMMXZSH-NJZAAPMLSA-N	249.373	4.617	0	10	BJAE	
Cc1cccc2c3c([nH]c12)C[C@H]1CCCCC[C@H]31	2035865441	UCQHCOHJIHNQTR-OLZOCXBDSA-N	239.362	4.696	0	10	BJAE	
CCCC1CCC(NC[C@@H]2CC23CCCC3)CC1	2036133574	FKNAHKMIFNOHBD-PCKAHOCUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(CCC1(N)C[C@H]2CCC[C@@H](C2)C1)C1CC1	2037159653	RWMJESNGYLQHKZ-KBPBESRZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](CC1(C)CCC1)[C@@H]1CCC2(CC2)C1	2038574455	FNVGZYLDAHXFAH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CC[C@H](NC2CC3(CCC(C)CC3)C2)C1	2038912705	KSJPIKCBUPJRCS-QZAQUIPZSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CCC2(CC1)CC(NCCC1(C)CC1)C2	2038942180	ZKDWZYIBCSZCKG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@]1(N)CC12CCCCC2)C1CCCCC1	2039010468	ZAYVUWQPNFBCQK-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](NC[C@@H]1CC12CCCC2)C1CCCCC1	2039077852	CMZZDXZGVAOKHV-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCCC1(C)CC1)CC12CCC(CC1)C2	2039415503	LXRVXNQTMMOWAY-CKDBGZEDSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](c1ccccc1C)C1(CC)CCC1	2039719372	GUFDCTLRTTZTIW-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@]1(C)CC=CCC1	2042016626	MIIVWLBFNBIZNX-DLBZAZTESA-N	249.442	4.847	0	10	BJAE	
C[C@@H](CC1(N)[C@H]2CCC[C@H]1CC2)C1CCCCC1	2042052051	PMOXBMQXHKGOHZ-BPUTZDHNSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H]([C@@H]1C=CCCC1)[C@@H]1CCC[C@@H](CC)C1	2043189101	YJZJRCVPDKLCRP-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](N[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1(C)CCCCC1	2046484576	ZMQJRJGIVHFXDD-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCN[C@H](C[C@H]1CC12CCCCC2)C1(CC)CC1	2047016389	ONMVKKOKAQHMIA-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
N[C@H](C1CCCCC1)[C@@H]1C[C@H]2CCCCCC[C@H]21	2047411502	BNWPBDIDVQNNTB-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
C1CCC2(CC1)CCCC[C@H]2NCCCC1CC1	2047585319	AFUYPAAWSYCRFG-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
O=C(CC[C@@H]1[C@H]2CCCCC[C@H]21)CC1CCCC1	2048466332	WNTMUWCYMPGJSW-FVQHAEBGSA-N	248.410	4.742	0	10	BJAE	
CC[C@H]1CCCCC1=C1CCC2(CCCN2)CC1	2048948452	GKDGRPPBXRSJLV-MBIQTGHCSA-N	247.426	4.579	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2CCC3(CC3)C2)CCCCC1	2049848619	KKXRZSMBVXUPPV-GOEBONIOSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@@H]1NC[C@@]1(C)C=CCC1	2049982081	QGFDAFXOMHCCSY-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1C(=O)CC1=CCCCCCC1	2050459510	XTFUDGUJWKMAON-UHFFFAOYSA-N	242.362	4.848	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@H](C)C2(C)CCC2)cc1C	2052330918	HKFNGCZGNWSHON-HUUCEWRRSA-N	245.410	4.533	0	10	BJAE	
CC[C@@H]1CC=C[C@@](N)(CC2CC(C(C)(C)C)C2)C1	2054979112	AYOXVGGWPVXONC-VXTDNTOSSA-N	249.442	4.523	0	10	BJAE	
C[C@@H](N[C@H]1C=CCC[C@H]1C)C1CCC(C)(C)CC1	2055574508	VZHGFGBPLBEICA-FMKPAKJESA-N	249.442	4.536	0	10	BJAE	
CC(C)c1ccc(OCC2CC(C3CC3)C2)cc1	2056669008	DGUIMYIPHXHHPT-UHFFFAOYSA-N	244.378	4.625	0	10	BJAE	
CC1(C)CC(CC(=O)CC2CC(C3CCC3)C2)C1	2056672624	ZJFWHQYJVISDTL-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC1(C)CC(N[C@@H]2C[C@@H]3CCCCCC[C@H]32)C1	2058831869	QRIWYVPOTQOZOV-TXOGFHGLSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](CCC1(C)CC1)[C@@H]1CCC2(CC2)C1	2059179707	DKMRWJGNMVGWIH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC=CCCC[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCC	2059225654	PFWGTOKWHZPHIJ-MWDXBVQZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC=C(CC(=O)c2cccc(C)c2)CC1	2061198035	YXMNRKNXQKCLAH-AWEZNQCLSA-N	242.362	4.704	0	10	BJAE	
C[C@H](CC(=O)C[C@]12CCC[C@@H]1C2)C1CCCCC1	2061603897	WKSUPDQGOBCAAM-FRFSOERESA-N	248.410	4.742	0	10	BJAE	
CCCCN(CCCC)CC1CC(=C2CCC2)C1	2061679572	LTSNSCLDXSTINN-UHFFFAOYSA-N	249.442	4.779	0	10	BJAE	
CCN[C@H](C1CC(=C2CCC2)C1)C(C)(CC)CC	2061731093	PSEJJTTZOFNPED-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1CC(=C2CCC2)C1	2061735099	VEDXFVVIHOJZBK-HNNXBMFYSA-N	246.394	4.662	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](CC2CC3(C2)CC(C)(C)C3)C1	2063209081	RYHYQVDZTRRWPK-JSGCOSHPSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC(N)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2063488715	CQVHFSLCAJMDRA-QKDCVEJESA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CCC(=O)C1CC2(C1)CC21CCC1	2064129395	ACBZWBWJNLJHOH-UHFFFAOYSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](CCC12CCC(CC1)C2)CC1CCCCC1	2065333833	XFMRWNWMGZDTKN-CGZBRXJRSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H](N[C@@H]2CCCC3(CCC3)C2)C1	2066633796	OTDLAUQADWHGCJ-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CC=C=CCCN[C@H]1CCCCC12CCCCC2	2067325542	KFRGOKRYFHZUNV-LPEXUCKASA-N	247.426	4.590	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)C[C@@H]2CC23CCC3)CC1	2069167391	HVZMWVLPUCDPBR-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H](C[C@H]1CC12CCC2)C1(CCC)CC1	2069192319	FASLOCGYXJNEIM-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1(CC2CC2)CCC1	2069501576	VONYUWIBBLBTOB-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCC1=CCCCC1)C1(CC2CCC2)CC1	2069579771	CWHDGEAXYOZHLL-MRXNPFEDSA-N	247.426	4.565	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)C[C@@H]3CC[C@@H]3C2)CC1	2072800480	DSTKCBGIIKFGTG-NDQLQDMOSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCC(C)=C[C@@H]2N)CC1	2072801386	NNCGYKPHWFADSL-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
C1=C[C@H](Nc2cccc3ccccc23)CCCC1	2075364284	WLBSWGLJJWUKCN-HNNXBMFYSA-N	237.346	4.751	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@@H]1C[C@@H]2CCCC[C@@H]21	2077188961	CJTQFUPAAVGFSO-NXOAAHMSSA-N	249.442	4.537	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)[C@@H]1CCCCC12CC2	2077196570	MTICKJWGDTYGMR-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1ccc2ccccc2c1	2079458875	QCASSDACPBTISN-HOCLYGCPSA-N	239.362	4.688	0	10	BJAE	
CC(=C[C@@H]1C[C@@H]1C1CCCCCC1)[C@H](N)C(C)C	2079700705	KTZGTYJHUXQPSV-BRWVUGGUSA-N	249.442	4.523	0	10	BJAE	
CCc1cc(F)ccc1NC1C[C@H](C)C[C@@H](C)C1	2081947427	SEZVHSCOMJOLHJ-VXGBXAGGSA-N	249.373	4.625	0	10	BJAE	
CC[C@@]12CC[C@@](CC[C@@H]3C=CCCCC3)(CO1)C2	2082101706	OEHYANJPJXAEHX-ZACQAIPSSA-N	248.410	4.862	0	10	BJAE	
CC1(C)CCC[C@H](C[C@H](N)C[C@@]23CCC[C@H]2C3)C1	2082976123	OLUDVUHSUTYEMU-AESZEHBQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]([C@@H](N)c1cccc(C(C)(C)C)c1)C(C)(C)C	2083543104	DMQPMRCUONOAHH-SWLSCSKDSA-N	247.426	4.666	0	10	BJAE	
C[C@H](CCC(C)(C)C)NC1C2(CCC2)C12CCC2	2083547689	DEJVHPIKKZBQSJ-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
CC1(C)C[C@@H](N[C@H]2CCC23CCCCC3)C1(C)C	2084368466	PLIJMRJGKUDMTJ-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1cc(C)ccc1C	2086043032	BQOWBQFNSVGLGT-CXAGYDPISA-N	248.410	4.943	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1C[C@H]2CCC[C@H]1C2	2086171452	NHOPSUOWFMQIOL-YHUYYLMFSA-N	249.442	4.514	0	10	BJAE	
NCC[C@H]1CC[C@@H](CCCCCCC2CC2)C1	2213574008	NQXRPQPTLPNJGJ-HZPDHXFCSA-N	237.431	4.502	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](N)CCCCCCC1CC1	2213579701	VJVMXAKDHLYEPV-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@@H](CC)CCC1(C)CC2(CCC2)C1	2215401687	QWMKWMGWCULIPU-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](O)(C2CCCCC2)C1	2216254087	XBZKEBZGHZNELW-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCCCCCCC2CC2)N1	2216860300	AFZJCTLKEZWTLM-GDBMZVCRSA-N	237.431	4.658	0	10	BJAE	
CCC(CC)[C@H](O)CCCCCCCC1CC1	2216891966	CETXLTAZVVOSQM-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCCC[C@@H](CN[C@@H](C)CC)C1CCCCC1	2217154201	RNMBAKSFCWVGFC-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@@](CC)(CNC1CCC1)CC(C)C	2217155521	CUVOWTJVQQALEW-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
O=C1CCCCC[C@H]1C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218333166	OKMBEALBXLWXKT-JJXSEGSLSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@H]1C[C@@H]1C1CCC1	2218731906	NBNQRBGRLRJJHI-IXDOHACOSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@H](N)CCC1(C)CC(C)(C)C1	2221030554	DNCFOLSKCFNGET-OAHLLOKOSA-N	245.410	4.601	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N(C)C[C@]2(C)CC=CCC2)C1	2221603799	WKEIOSVMYLTSOE-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CC1=CC[C@](C)(CN[C@H]2CC(C)(C)C[C@@H]2C)CC1	2221643865	PLNBAEJESBAWAI-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
C[C@@]1(CNCCCCCCCC2CC2)C=CCC1	2223151458	BAKRSGGKJZGIOI-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C(CCCNC(C1CC1)C1CC1)CCCC1CC1	2223156280	ZQJWQXSBZUUUQY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@](O)(CC1(C)CC(C)C1)C1CCCC1	2246523742	JUEMQMSMXQCKMS-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)CN(C)CC[C@H]1CCC[C@H](C)C1	2246679369	NWSQHAZBGMMBNH-LSDHHAIUSA-N	239.447	4.571	0	10	BJAE	
CCCNC[C@H](C)CCC[C@@H]1CCC[C@@H](C)C1	2246727631	NUEUMNVEKQLNHA-OAGGEKHMSA-N	239.447	4.619	0	10	BJAE	
C[C@H]1C[C@H]1CCCC[C@@H](N)[C@H](C)CC(C)(C)C	2247122530	ULRFEQSQTJGWET-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@H](N)C[C@H]1CCC1(C)C)CC(C)(C)C	2247444509	BFLFSJUJERAOEA-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CC[C@H](C(C)C)[C@H](O)CCCCC[C@@H]1C[C@@H]1C	2248812674	AXFGNNOKDJTIPV-ZJIFWQFVSA-N	240.431	4.636	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)c1ccc2sccc2c1	2250388964	DWPWTQGGQQLNBU-IAQYHMDHSA-N	247.407	4.727	0	10	BJAE	
CCCC[C@H](C)C(=O)CC1CC2(CC(C)C2)C1	2250448517	NAHTZQOHWYUAIF-VGMSBNRJSA-N	236.399	4.598	0	10	BJAE	
CC[C@]1(C)C[C@H]1NCC[C@@H](C)CCCC(C)C	2250526586	FJZBULOALVHOTJ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CCc2sc(-c3cccc(C)c3)nc21	2252747484	HHPVSHYVYWGLBT-NSHDSACASA-N	243.375	4.558	0	10	BJAE	
CC1CC([C@@](C)(N)CC[C@@H]2CCCCC23CC3)C1	2253854258	MMONFYGJEFOFRS-GRAKBVBRSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC[C@H]2CCCNC23CCC3)C1	2253975188	YNPPGLYJCGMVIH-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC2(N)CCC3(CC2)CC3)C1	2254000820	GNLVKKICKJSSRT-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCCC1(NCC2CC3(CCCC3)C2)CCCC1	2254071549	FPKJWYVHPYQELM-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCC1([C@@H](CC2CC3(CCCC3)C2)NC)CC1	2254122922	HSQYCKNEHIMUOU-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H](C)[C@H]1CC12CCC2)C1CCCCC1	2256418864	BCNDSLISGZPYFM-IMJJTQAJSA-N	249.442	4.514	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCCC1(N)CCC2(CC1)CC2	2257362696	UDMXJQCXIYUGFO-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](CC1CCC1)Nc1cc(C2CC2)ccc1F	2259126180	LBRMNFTYUBKDRO-NSHDSACASA-N	247.357	4.694	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@](N)(C[C@]23CCCC[C@H]2CC3)C1	2260645007	FRSSKUGDQCTSQJ-NNXHMXCWSA-N	249.442	4.501	0	10	BJAE	
C[C@H](C[C@@]12CCCC[C@@H]1CC2)c1ccc(N)cc1	2260653155	XCLCCMSEIPNNSC-UNEWFSDZSA-N	243.394	4.733	0	10	BJAE	
CC(C)CCCCCC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	2298413775	MDQGYJIOEHYPDO-QLFBSQMISA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCN(CC)c1cccc(C)c1	2300689160	VCKCSBMTMFAWDH-UHFFFAOYSA-N	233.399	4.648	0	10	BJAE	
CCC(CC)CC[C@](C)(N)C1CC2(CCC2)C1	2300696136	AFWIUKXTYNOJST-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@@H](C)C1CCCC1	2300872433	PNEDKCZXNMSUOM-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CCN[C@@H]1C[C@@H](CC=C(C)CC)CC(C)(C)C1	2300897462	SPSVIILURBBNHW-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@H](C)NCC1(CC2CCCCCC2)CC1	2301182280	IAJPWHBPINVOJA-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC1CC(CC[C@H](N)CC2CCCCCC2)C1	2301236069	JGPDWRQNSOWXEZ-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
OCC1(CC2CCCCCC2)CCCCCC1	2301241833	MNPOERQBEWOLQB-UHFFFAOYSA-N	238.415	4.680	0	10	BJAE	
CCC1CCC(N(C)[C@H](C)[C@H](C)C(C)C)CC1	2301701417	OXJVQSIKWVFQOE-WXLSXGNJSA-N	239.447	4.568	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)C1CCCCCCC1	2301840512	OSXWEYIMIMJUBB-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
NC1(C=CCCCCCCC2CC2)CCCC1	2302635822	MYTRBVWZGXLZBK-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@@H]1CC[C@H]1C(C)(C)C	2307904647	UEVZJQOCQCZUOZ-GBJTYRQASA-N	239.447	4.602	0	10	BJAE	
CCC[C@H](CC)C[C@H](C)[C@@H](O)c1ccccc1	2307906752	IELKMAKERRUKGG-OFQRWUPVSA-N	234.383	4.573	0	10	BJAE	
CCC[C@@]1(CC[C@@]23CCC[C@@H]2C3)CCCCCN1	2310374878	IJQZCHLNKQIRAM-ZACQAIPSSA-N	249.442	4.659	0	10	BJAE	
CC[C@H]1CCC[C@]1(N)C[C@@H]1C[C@H]1C1CCCCC1	2311608795	YVEKDPYLCSSXKK-QAETUUGQSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C[C@H]2CCC[C@@H]3C[C@H]23)C1	2312473938	PWDOHCXARXBRRF-UMVBOHGHSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	2312944391	MRIUWMCLXSNMCB-WBTNSWJXSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313349146	SUIAPRHNISGINZ-KSWRQPAISA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@@H]1CC2CC1C2	2315875661	ZJFWJLZBIQHWGU-BCLQGDPASA-N	243.394	4.576	0	10	BJAE	
COc1ccc(N[C@H](C)CCCC(C)C)cc1C	2315950764	WZTYRJFTAGCRIQ-CQSZACIVSA-N	249.398	4.630	0	10	BJAE	
CC=CC[C@H](NCCC)c1ccc(C2CC2)cc1	2316504564	VDOIQENGMNORMU-KRWDZBQOSA-N	243.394	4.571	0	10	BJAE	
CCC=C1CCN(CC=C(C)CCCC(C)C)C1	2316517389	TWWUXBXHWHWWMU-UHFFFAOYSA-N	249.442	4.801	0	10	BJAE	
CCC(C)=CC[C@@H](NC)C1(C)CCC2(CC2)CC1	2316540176	RPRUYGVWRVLLAD-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C[C@@H]1CCCC12CC2	2316543192	XEHPQIMVKGDPEK-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CC(=CC=C1CCC2(CC2)NC1)CCCC(C)C	2316555842	CEEBWTYBXWOCAO-UHFFFAOYSA-N	247.426	4.601	0	10	BJAE	
N[C@H](CC1CCCCCC1)[C@H]1CCCC12CCC2	2316882891	DJBXPQQEFZXDHA-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C1CCCC(C[C@H]2CCCC[C@@]23CCNC3)CC1	2317001796	NJPXHQNKAPAOMA-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1cccc2c1CCCC2	2317995954	VMMPMAUADUIYCW-ZIAGYGMSSA-N	245.410	4.658	0	10	BJAE	
CC(C)=CCCC(=O)c1cc(F)ccc1C1CC1	2319171527	OFQFSCFGYWFQIJ-UHFFFAOYSA-N	246.325	4.632	0	10	BJAE	
CC(C)CCC[C@H](N)c1cc(F)ccc1C1CC1	2319176354	POVIMMKUNFBIET-INIZCTEOSA-N	249.373	4.529	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@H]1CC[C@H]1C1CC1	2319592361	QZCSRLMVSRSUQY-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C)c(C(=O)[C@H]2CC[C@@H]2C(C)(C)C)c1	2320153644	MIXVRCSDFBPQLU-ZFWWWQNUSA-N	244.378	4.558	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(O)CCC23CCCC3)CC1	2320338263	UHOLWWSYJLPYTN-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@@H](COc2cc(C)ccc2F)CC1	2320389124	XKVXHMDLKHCFNN-AWEZNQCLSA-N	248.341	4.649	0	10	BJAE	
CCCN[C@@H]1CCC[C@H]1C[C@H]1CCC(C)=C(C)C1	2320397598	MWMDCGSALYHKGB-YESZJQIVSA-N	249.442	4.681	0	10	BJAE	
CC[C@H](N[C@H](CC1CC1)C1CC1)C1CCCCC1	2320520592	JDERLTRRBTUODT-DLBZAZTESA-N	249.442	4.514	0	10	BJAE	
CC1(C)CN([C@@H]2CCC3(CCCC3)C2)C(C)(C)C1	2320571566	WBEBHMBKRILZIS-CQSZACIVSA-N	249.442	4.610	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)c1ccc(CC)cc1	2328191773	YCRMCVBXOCMTNJ-DOTOQJQBSA-N	247.426	4.639	0	10	BJAE	
CCc1ccc(N[C@H](C)c2cc(C)oc2C)cc1	20438335	NUFLOCLXUZXYOE-GFCCVEGCSA-N	243.350	4.632	0	10	BJAE	
CCc1ccc(NC2CCCCCCC2)cc1	20566424	KIYKXIASVDQUCZ-UHFFFAOYSA-N	231.383	4.774	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cc(Cl)cc(Cl)c1	21011829	IMUMPLHXHJNCOM-IUCAKERBSA-N	246.181	4.840	0	10	BJAE	
C[C@@H](NC(C)(C)CC(C)(C)C)c1ccccc1	34981121	FBEYWLWTLIPWBE-CYBMUJFWSA-N	233.399	4.552	0	10	BJAE	
CCC[C@H](N[C@H](C)CC(C)C)c1ccccc1	37118020	OXEQIAUIGVBPEI-ZBFHGGJFSA-N	233.399	4.552	0	10	BJAE	
N[C@@]1(C2CCCC2)CCCC[C@@H]1C1CCCCC1	37376827	MTKHPANXIMKENI-IAGOWNOFSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1ccc(-c2ccc(Cl)cc2)cc1N	41296791	VNWWKTAXKWXEEF-UHFFFAOYSA-N	245.753	4.713	0	10	BJAE	
CCC[C@@H](CC)N[C@H](C)c1cc(C)sc1C	50401029	NDXSBBVGWFASPW-DGCLKSJQSA-N	239.428	4.594	0	10	BJAE	
CC1=Nc2ccc3c(c2C1(C)C)[C@H]3c1ccccc1	67172230	JYXAWPQXGYWLNU-HNNXBMFYSA-N	247.341	4.564	0	10	BJAE	
CC[C@H]1CCC[C@H](Nc2cc(F)ccc2C)C1	71105828	FOCGCUJAWZEKFD-JSGCOSHPSA-N	235.346	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cccc(F)c2C)C1	71120855	ZXSYWLSHLWEAGI-OLZOCXBDSA-N	235.346	4.515	0	10	BJAE	
CCC[C@H](CCCc1ccc(C(C)C)cc1)NC	80410629	NGAFYHOWPWKLFX-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NCC)[C@@H](C)CC	82562498	PJASZZHNAFEVBP-RRFJBIMHSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)CCCC(C)(C)C1	83783387	CKKOMTCLYHUERP-GOEBONIOSA-N	239.447	4.891	0	10	BJAE	
C[C@@H]1CC[C@H](C(C)(C)CCC(C)(C)C)[C@H](O)C1	85157706	GHUKOCYSZNREMK-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
Cc1cc(C(=O)C2CCC(C)(C)CC2)ccc1F	87940859	DKSPUACGYWPXDX-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CCCN[C@@H](C(C)C)C1CCC(CCC)CC1	87964491	WYHQPFFCNPEWNI-GPANFISMSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@H](N)C1CCC(C(C)(C)C)CC1	87987051	ZPRZPICNBGQIJX-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
Cc1ccc(NCC2CCC(C)CC2)c(C)c1	89575439	HXSVRVOLHVLHRD-UHFFFAOYSA-N	231.383	4.542	0	10	BJAE	
CC(C)c1ccccc1NC[C@@H]1C[C@H]2CC[C@@H]1C2	93519141	UIZBLWKDWMPPTR-ZNMIVQPWSA-N	243.394	4.658	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](NC)c1cccc(C)c1	109725556	ZDNNTPMJYCTIHD-NVXWUHKLSA-N	247.426	4.862	0	10	BJAE	
CCCCC[C@H](C)NCC1CCC(CC)CC1	109917897	SQIGQGSDQOACME-FHERZECASA-N	239.447	4.761	0	10	BJAE	
CCCCCC[C@H]1CCC[C@@H]1CNC(C)(C)C	129803497	IWNKAAADKSCQOS-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC(C)(C)C[C@H]2C)cc1C	155817441	AQEOZGDCJYZSLJ-GDBMZVCRSA-N	245.410	4.930	0	10	BJAE	
CC(C)(C)c1ccccc1[C@@H](N)C1CCCCC1	167237229	DYJMGYLLZWRZSP-INIZCTEOSA-N	245.410	4.564	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(C2CCCCCC2)CC1	167684962	UUHRYIQQPSMMFN-HOCLYGCPSA-N	237.431	4.645	0	10	BJAE	
c1ccc(Nc2csc3ccccc23)cc1	211815995	KVGMUGJPFRYQGE-UHFFFAOYSA-N	225.316	4.645	0	10	BJAE	
CCCN[C@H](CCC)[C@H](C)c1cc(C)ccc1C	212822439	YHOWOFIYWVTXRW-NVXWUHKLSA-N	247.426	4.575	0	10	BJAE	
CC(C)c1ccc2c(c1)[C@H]1CCCC[C@H]1CN2	214027747	PYBRWMPLKAAQQW-KBPBESRZSA-N	229.367	4.509	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CN)[C@@H](CCC(C)(C)C)C1	218718128	QMXNIFSDABNIQO-ILXRZTDVSA-N	239.447	4.604	0	10	BJAE	
C[C@H](F)C1(c2ccccc2Cl)CCCC1	220501042	ALEIUBKJTPAUNQ-JTQLQIEISA-N	226.722	4.510	0	10	BJAE	
CCCN[C@H](CCC(C)C)C1(C)CCCCC1	233162571	BPENHZZTRSBAPS-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@H](C)C(C)(C)C	253177380	AVZGPFXEAGUUEW-MJBXVCDLSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](CC)CCCCCC(C)(C)C	300901568	QZMFRSQUKRGMCC-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CC(C)[C@@H]1CCC(=O)[C@@H](CCC2CCCC2)C1	304123826	DKOAZPVMMAPEGY-CABCVRRESA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CNc1ccc(Cl)cc1F)C(C)(C)C	304331443	UKBQIQJSLHKLNW-VIFPVBQESA-N	243.753	4.573	0	10	BJAE	
CCc1ccccc1[C@@H](N)CCC1CCCCC1	305904558	CFOSILQYSSLVGR-KRWDZBQOSA-N	245.410	4.609	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@H](C)CC[C@@H]2C)cc1C	306061784	XFKSRZMAHLJWLH-IIYDPXPESA-N	245.410	4.794	0	10	BJAE	
CC(C)Cc1ccc([C@H](O)[C@H](C)CC(C)C)cc1	306103281	QRCNDHKNUJWUNO-RHSMWYFYSA-N	248.410	4.601	0	10	BJAE	
CC(C)c1ccccc1[C@H](O)[C@H](C)C(C)(C)C	310085545	GOSRKKJAAXACDF-SWLSCSKDSA-N	234.383	4.526	0	10	BJAE	
CCC1(C[C@H](O)[C@H]2CCCCC2(C)C)CCC1	310158680	QTBXQTLPUJBUET-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(N[C@@H](C)CCC(C)(C)C)ccc1F	310309333	TWWJMCSOLMUMNT-LBPRGKRZSA-N	237.362	4.761	0	10	BJAE	
CCCCCC[C@@]1(CNCC)CC[C@@H](CC)C1	317267800	NINBFXVQYGRZQT-HZPDHXFCSA-N	239.447	4.763	0	10	BJAE	
CCCNC[C@H](C)CCC/C=C/c1ccccc1	324096247	CKLKHAJLZFDGAI-AYAUWGRQSA-N	245.410	4.506	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)c2ccc(C)cc2C)CC1	328291584	UYMNTSHBSYOGHR-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@H](NCC2=CCCCC2)C1	379585644	ZCKIJNNEGRJODY-IRXDYDNUSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)C[C@@H]1CCC[C@H](C)C1	380010091	BJCWRHPAMROBMG-XUWVNRHRSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@@H](C)CC1(CNC(C)(C)C)CCC1	382667295	PAGFSDRAMCBYOT-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc([C@H](O)CCCCCC(C)C)c1C	383534194	NGBFXHOLAMTCSD-QGZVFWFLSA-N	248.410	4.943	0	10	BJAE	
C[C@H]1CCC[C@H](NCC(C)(C)C(C)(C)C)CC1	383934387	CKVZKFVXNHTBCX-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H]2C[C@@H](C)c3ccccc3N2)C1	385139613	MAOFJRXWEXVOFR-VWPFQQQWSA-N	243.394	4.801	0	10	BJAE	
CCCC(CCC)[C@H](O)CCC1=CCCCC1	386231024	GUFLXXZOZZBTKK-MRXNPFEDSA-N	238.415	4.844	0	10	BJAE	
CCC[C@H](C)C[C@H](O)c1cccc2ccsc12	386287046	GVKACHRBEZBAKU-FZMZJTMJSA-N	248.391	4.761	0	10	BJAE	
CCC1(NCCCC(C)(C)C)CCCCC1	389425860	COXWWYWRJSWIPE-UHFFFAOYSA-N	225.420	4.515	0	10	BJAE	
Cc1ccc(NCCC2CCCCCC2)c(F)c1	394630133	PORPFIRYGDVDFA-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CC[C@H](N[C@H](C)CC(C)(C)C)c1cccs1	395054889	NFSBENLMSYNVPY-NEPJUHHUSA-N	239.428	4.614	0	10	BJAE	
CC[C@H]1CC[C@H](Nc2ccc(C(F)F)cc2)C1	395288781	LZQVTYBMYHXFIZ-GWCFXTLKSA-N	239.309	4.615	0	10	BJAE	
CCc1ccc2c(CC)c(SC)sc2c1	396176898	IGRPPMZXTHPKDJ-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
Cc1cccc2sc(C(F)(F)F)c(S)c12	396304206	NDQUBJRFNDUHOZ-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCC1CCC(C(=O)C[C@@H]2CC[C@H]3C[C@@H]3C2)CC1	403667461	UJXWCBZYUBIYQI-MXPGSBBYSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C1CC1)C(C)(C)C	405790666	GINUSWLVBCDRSK-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)N1CCCCC[C@H]1c1ccc(F)cc1	616624675	GBLBICIMQCYYSF-HNNXBMFYSA-N	249.373	4.541	0	10	BJAE	
CC1CCC([C@@H](O)c2cccc(C(C)C)c2)CC1	688939673	PDVGSFOLLBSFKV-MQBCKMQZSA-N	246.394	4.670	0	10	BJAE	
CC(C)c1cccc([C@@H](O)CC2=CCCCC2)c1	688947500	FBSSJFAQKKSPPE-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CCC[C@H](C)C[C@](C)(O)CC1CCCCC1	689717577	REDJBPODQIWNJB-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1CC(Nc2cccc(C3CC3)c2)C[C@@H](C)C1	690070357	DLJACVQOVCXBGV-STQMWFEESA-N	243.394	4.801	0	10	BJAE	
CSc1ccccc1N[C@H]1CCCCC[C@H]1C	691097842	BZNFPQIUNIRXHK-OLZOCXBDSA-N	249.423	4.789	0	10	BJAE	
CC(C)CCCN[C@@H]1CCCCC[C@H]1C(C)C	691172034	XEUISZQDBNNWCA-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](O)CC(C)(C)CC	696659693	OSFXUCHVGYMEMA-KGLIPLIRSA-N	228.420	4.780	0	10	BJAE	
CCCN[C@H]1CCCCC[C@@H]1C(C)(CC)CC	701147158	YSHHSDIHMAPLGI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC(CC)CC)[C@]1(C)CC1(C)C	702179281	BFXASCDOCNYVTB-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC(F)(F)CC)cc1	704781557	AGVSXIDPKXMFSU-LLVKDONJSA-N	242.309	4.624	0	10	BJAE	
C[C@@H]1C[C@@H](N[C@H]2C=CCCCCC2)CC(C)(C)C1	708251317	MOFHZHBLRFYWCB-OWCLPIDISA-N	249.442	4.680	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@@H](N)C1=CCCCCCC1	708300545	DLMJHHMYMONBRY-DZGCQCFKSA-N	237.431	4.667	0	10	BJAE	
CCC[C@H](Nc1csc(C)c1)[C@@H]1CC1(C)C	710754820	IWTAQTMQLVASNM-STQMWFEESA-N	237.412	4.683	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@H](CC)C(C)(C)C	711184248	JONCWAAVOYTDIG-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@H]2CCCC[C@@H]21)C1CCCCC1	712519323	FEWAOKHKMOWLFF-LTIDMASMSA-N	249.442	4.514	0	10	BJAE	
CCCNC[C@@]1(CC(C)(C)CC)CC=CCC1	713150430	GBIGSIYDQPEHFW-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)C(C(C)C)C(C)C	713174375	LAEXCVFMIGMJBS-AWEZNQCLSA-N	241.463	4.719	0	10	BJAE	
C/C=C/C[C@H](C)c1ccccc1Br	714565928	ZHZRNMYBZLYEQM-FSIBCCDJSA-N	239.156	4.519	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1CNc1cccc(Cl)c1	1308231819	BZMYVBHXMXGWFO-IUODEOHRSA-N	249.785	4.744	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNC[C@@H]2CCC=CCCC2)C1	1308975813	YUSWLKIBWSDNPD-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
C1=C[C@H](SC[C@H]2C[C@@H]3C[C@@H]3C2)CCCCC1	1559446183	YHNACASKGMVZIA-XGUBFFRZSA-N	236.424	4.655	0	10	BJAE	
CCC[C@@H](NC1CCC2(CCC2)CC1)C1CCC1	1658323804	WEFIESQZQRJQIM-MRXNPFEDSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H](CC)NCC1(C)CCC2(CC1)CC2	1875709321	UPXBRVBWWWGBOE-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CCC1CC1)NCC1(C)CCC2(CC1)CC2	1875731544	HZKXMOUCIKLVFI-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C)C(C)=CC1CCCCCCC1	1883193441	KVPVOPJRRBWYQA-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CC(C)=CCCc1ccc(F)cc1C1CC1	1901156734	CYZNWHDUJHTLRU-UHFFFAOYSA-N	218.315	4.602	0	10	BJAE	
CCC[C@@H](CC)CC(C)(C)CNC(C)(C)C	1905313339	YMFCXZAKZOQPSH-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1scc(C)c1C	1905452563	ZHAFYBFABXMISO-GFCCVEGCSA-N	238.396	4.764	0	10	BJAE	
CNCC(=C[C@@H]1CCC[C@@H](C)C1)C1CCCCC1	1907324669	SKUQORXFEMYKHN-HUUCEWRRSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)[C@H](C)C(C)C)CC1	1909710516	HHMYGRYFLQUKGT-KLHDSHLOSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CC[C@@H]1C[C@H]1C	1910139737	KRHAZBZAEVYSRA-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1C[C@H]1C[C@@H]1CCCCCCCC1=O	1910796927	YYTULMWITWTHJE-ZNMIVQPWSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](C[C@H]1C(=O)C[C@H]2CC[C@H]1C2)C1CCCCC1	1916094795	LTOZMBGFDQSBTF-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@@H](O)[C@@H](c1ccccc1)C(C)C	1921321288	WZOMJYJLUXYVDQ-IAGOWNOFSA-N	248.410	4.613	0	10	BJAE	
C[C@@H](NC1C[C@H]2CCC[C@H](C1)C2)C1CCCCC1	1923477991	AOLOXANOGANTRR-ILXRZTDVSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](C[C@H]1C=CCCCC1)[C@H](C)C1CCCC1	1925773192	WSFLHZMSDZHQEY-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCCC1)C(C)(C)C1CC1	1925801396	CFILJDKTHYSRDU-HOCLYGCPSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(Cl)ccc1C[C@@H]1C=CCCCC1	1925870144	PINVKWUDTDSTAU-CYBMUJFWSA-N	234.770	4.937	0	10	BJAE	
CCC(CC)C[C@H](N)c1cc2cccc(C)c2o1	1926383368	KUJKKQYUAOKLCN-AWEZNQCLSA-N	245.366	4.567	0	10	BJAE	
CCCC[C@](N)(CC)CCC[C@@H]1CC1(C)C	1935925976	XCDLKLBJLKCPHW-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCCCC[C@H](CCCC1(C)CC1)NC	1935939993	MUHKHIBJLNBHRU-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@](N)(CC2(C)CCCCC2)CC1	1940408295	SUHYTJXUCVTBDA-ZBFHGGJFSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](C[C@H]1CCC[C@@H](C)C1)c1ccc(N)cc1	1940968870	VCYOEBCXFVINSO-RDBSUJKOSA-N	231.383	4.589	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](O)CCC1CCCCC1	1941252787	RHQKCTQXHWXAIM-JKSUJKDBSA-N	240.431	4.780	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C[C@@H](C)CC	1941812957	FIPSIUIEFIXVAX-HOCLYGCPSA-N	237.431	4.537	0	10	BJAE	
CC[C@@](C)(CNCC(C)C)[C@H](C)CCC(C)C	1942656209	LUGDDXJDHLEYNA-CVEARBPZSA-N	241.463	4.721	0	10	BJAE	
CCCCCCN[C@@H]1CC(C)(C)CC2(CC2)C1	1943081834	DZAGTRZZDICGTM-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(=O)C1CCC(F)CC1)CC(C)(C)C	1944470987	DECGZBPILGUJCW-HIFPTAJRSA-N	242.378	4.546	0	10	BJAE	
CC(C)C(C)(C)C(=O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1	1944647068	RPUCTNKZXJVRBM-WDNDVIMCSA-N	238.415	4.700	0	10	BJAE	
CC[C@@H](C)[C@@H](C)NC1CCCCCCCCC1	1947881622	QWLYDJAPAXUKDE-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@H]1C=CCCCCC1	1948323751	RMGDCRCRUWTRST-JYJNAYRXSA-N	237.431	4.536	0	10	BJAE	
CCCN[C@H](CCC)C[C@@H]1CC[C@@H](C)[C@H](C)C1	1948865228	UBURLQCPUKTIPO-KLHDSHLOSA-N	239.447	4.617	0	10	BJAE	
CCC1([C@@H](N)C[C@@H](C)C2CCCCC2)CCC1	1948934817	LABIGFLZAPKVOD-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)CCCC1(C)CC1	1949052118	AXCTVVCKUQJFCE-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@@H](C)C[C@@H](O)CC1CCCCC1	1949912562	NXRHTLWLOZJIER-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)CCCC[C@](C)(O)c1ccccc1	1949917765	PPDKUOAYRGRUME-INIZCTEOSA-N	234.383	4.501	0	10	BJAE	
CC(C)C[C@H](C)CC[C@@H](N)CC1CCCCC1	1949919463	WVQVRBLSCGLESO-GDBMZVCRSA-N	239.447	4.747	0	10	BJAE	
CCC=CC[C@H](CC)c1ccc(OC)c(OC)c1	1951308420	GQBPCZLZIPDRAH-ZDUSSCGKSA-N	248.366	4.554	0	10	BJAE	
CCCC[C@H](CC)CN(C)Cc1ccc(C)cc1	1963228766	LETSLZLXFOBOKR-INIZCTEOSA-N	247.426	4.643	0	10	BJAE	
Cc1cccc(OCC2CC3(C2)CC(C)(C)C3)c1	1968271679	WNWKQUKNIFCQJN-UHFFFAOYSA-N	244.378	4.590	0	10	BJAE	
Cc1ccc(NC2CC3(C2)CC(C)(C)C3)cc1F	1968321233	XXUBCBNSJVVOLN-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
c1ccc(C2CC2)c(NCC2CCCCC2)c1	1969417285	XGTITDOIGRDGRK-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
CCC(CC)(CC)C(=O)C[C@@H]1C=CCCC1	1978449749	DGXWDIVQRMKTSM-CYBMUJFWSA-N	222.372	4.518	0	10	BJAE	
Cc1cc(C)c(C(=O)CCCC(C)(C)C)s1	1978449839	GFRHMDYPVCFKLK-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CCCN[C@@H](C(C)(C)C)C(CC)(CC)CC	1978586070	GSYYACKNDURPOV-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@@](C)(N)C1CCC(CCC)CC1	1980234895	UTJOJSPFOPGEKI-YMAMQOFZSA-N	225.420	4.501	0	10	BJAE	
CC1(C)CC2(CC(C[C@H]3C=CCCC3)C2)C1	1986237701	NULLLCZOCLUPBI-ZDUSSCGKSA-N	218.384	4.949	0	10	BJAE	
Cc1cc(OC[C@@H](C)C(C)C)c(C)cc1Cl	1989925428	ZJNYGZVXDGDBGF-GFCCVEGCSA-N	240.774	4.628	0	10	BJAE	
CCCC1(C[C@](C)(O)CCC(C)(C)C)CC1	1990621010	OUYMLBSCOAGRIM-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCCCN(CC(C)=CCl)C1CCCCC1	1991758834	DAFWBYSRAJLFIY-UHFFFAOYSA-N	243.822	4.564	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)CCCCCC(C)C	1992976282	FURKPWJUEVFWGI-UONOGXRCSA-N	224.388	4.598	0	10	BJAE	
COc1cc(Cl)ccc1CCC(C)=C(C)C	1993787338	DGFQTUNAUNXSCU-UHFFFAOYSA-N	238.758	4.638	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1C(=O)CCC[C@@H]1C	1994318095	MTEXRTDVGWXVQP-MELADBBJSA-N	224.388	4.598	0	10	BJAE	
CC[C@@](N)(C1CCCCC1)C1CCC(C)CC1	1996595665	XSSVTHRVOMPIMF-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)[C@H](C)CC(C)C)CC1	1997118718	ZMDCSUKCPRBIHB-WCVJEAGWSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@]2(C)CCCC2(C)C)C1	1997342857	YBPZPVCYMFYHES-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)cc(N[C@@H](C)C2CC(C)(C)C2)c1	1998659149	XQTBYQPDJCTPSU-ZDUSSCGKSA-N	231.383	4.540	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)C[C@@H]1CCC=CCCC1	1999990734	MEQAFEASFRKLLW-OAGGEKHMSA-N	237.431	4.523	0	10	BJAE	
CCC(C)(C)CCNC[C@@H]1CCC=CCCC1	1999999876	XHGRUXVYMTYFSE-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1C(=O)C1CCCCCC1	2000294172	ZWTWRFIDKBYWLT-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)[C@@H]1CCCC1(F)F	2001814494	ODDORRHRSUFCHL-NEPJUHHUSA-N	246.341	4.597	0	10	BJAE	
CCCC(O)(CCC)C[C@H]1[C@H]2CCCCC[C@H]21	2002201608	ASIBBBKMATVGMJ-QDMKHBRRSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)[C@@](C)(N)C1CCC(C(C)C)CC1	2002925519	OIENCCPSNYJYOM-PRLABOORSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)CN[C@H](C)[C@@H]1CCC[C@@H](C)C1	2003023415	XISUJQGOHWCIMV-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CC(F)F)C[C@H]1CCCCCCCC1=O	2003074877	NBUPTVQHUFQYFQ-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
O[C@@H]1CCCCCC[C@@H]1CCC1CCCCC1	2003098708	HTHBLJFEQGKZNQ-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@H]1CCCCCCC[C@@H]1NCC	2003116234	HRYMXYJWFFDTGG-HOTGVXAUSA-N	239.447	4.905	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@@]1(C)C=CCC1	2003330026	PEAGHDVZKONFBE-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CC(C)=C(C)CCC[C@@H](O)c1ccc(C)cc1	2003625669	GRCGCUTVXIUMQB-MRXNPFEDSA-N	232.367	4.555	0	10	BJAE	
CCC1(C)CCC(N)(C[C@@H](C)CC(C)C)CC1	2004342919	XHOXVMJQNMSYJP-FHERZECASA-N	239.447	4.747	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)C1(C2CCC2)CC1	2004534584	KGQKEFJGMSBTMH-HIFRSBDPSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](CCC)C1(C)CCCCCCC1	2004921961	BTNKUKWZEAHASB-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CC(C)C(C)(C)C[C@@]1(CO)CCCCC1(C)C	2005582977	KQLPFWHOCNHNJY-MRXNPFEDSA-N	240.431	4.638	0	10	BJAE	
C[C@@H](C[C@@]1(CO)CCCCC1(C)C)C(C)(C)C	2005584331	VVUHPDQDLBPSPQ-XJKSGUPXSA-N	240.431	4.638	0	10	BJAE	
CCCN[C@@H]1C[C@@H](C)C[C@@H](CCC=C(C)C)C1	2006621446	AWFRGKHCNKMTJO-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1Oc1ccccc1C(C)(C)C	2006728359	UCZGEFOKUFDFQR-TZMCWYRMSA-N	232.367	4.552	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H]1C(=O)CCC1CCCC1	2007621368	CFGONRRHGAEJMD-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CC1CCC(C)(C(=O)CCCC2CCC2)CC1	2007681602	NLKVRYPSRRYOGH-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC1CC(C[C@H](N)C2CCCCCCC2)C1	2007804492	PWVCTIFAJFPDFQ-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)c1sccc1C	2007946926	PYDQQSAYTNACPY-CQSZACIVSA-N	249.423	4.598	0	10	BJAE	
C/C=C/CCC[C@H](N)c1ccccc1C(C)C	2009570932	FNWSZICBFCAQNG-APHBUQMISA-N	231.383	4.556	0	10	BJAE	
CC=CCCC[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C	2009594761	SWTJQELSFGIMTG-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CCCC[C@@H]1NCC[C@@]1(C)CC1CCCCC1	2009766837	BPZLMVXWHNEMMB-HOTGVXAUSA-N	237.431	4.515	0	10	BJAE	
CCCCC1CC(N(C)C[C@@H](C)CC(C)C)C1	2009781245	JCGKSIFWQFSLLQ-FHERZECASA-N	239.447	4.569	0	10	BJAE	
CCN[C@H](CC(CC)CC)C1=CC[C@@H](C)CC1	2010623950	KBOKKZCYSCJCSJ-CZUORRHYSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011946645	FAMZIDZLRAMLBD-QKDCVEJESA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H]2CC(=O)CC(C)(C)C2)C1	2012083773	JCVUYKMNTJNOMD-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(CC(=O)[C@]1(C)CC=CCC1)C(C)C	2015374623	IBMCAVMAZUOKQL-MRXNPFEDSA-N	236.399	4.620	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCC(C)=C2C)CCC1	2015595931	OUPLQXAVTXABAW-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CCCC1(C[C@H](O)[C@@H](C)CC(C)(C)C)CCC1	2015635939	ROMSKBBJUUFBDV-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@](O)(CC)CC1(C(C)(C)C)CCC1	2017118899	LVOFXALSZUGWEQ-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC(CC)(CC)[C@@H](N)CC1(C(C)C)CCC1	2017139520	WFUNVRKNGRNSNW-AWEZNQCLSA-N	239.447	4.747	0	10	BJAE	
CC(C)(C)C1(CSc2cccc(N)c2)CCC1	2017144383	USZKQCLGCHUBNV-UHFFFAOYSA-N	249.423	4.577	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)CC1(C(C)C)CCC1	2017144712	DTALWGAJGUGBJS-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](CNCCC=C(C)C)CC1	2017654669	FYLXLYDFPGWKFK-WKILWMFISA-N	237.431	4.539	0	10	BJAE	
CCC[C@@H](C)[C@H](CC1CCC(CC)CC1)NC	2017724887	ZUPUXMHKKWLFHD-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2CC[C@@H](C)C(=O)C2)CC1	2017775605	DRWAECSTDMZNCO-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2nc(C3(C)CC3)cs2)C1	2018312937	UHZZAWZYUKFRGV-NEPJUHHUSA-N	249.423	4.878	0	10	BJAE	
CCC1(C[C@H](O)c2ccc3sccc3c2)CC1	2018964212	FUYRHUIDVREUNJ-ZDUSSCGKSA-N	246.375	4.515	0	10	BJAE	
CCCC1(C[C@H](NCC)C2CCCCC2)CC1	2018992546	SFWRZISDQYXBFH-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H](CC(C)(C)C)N(C)[C@H](C)c1ccccc1	2019113653	IYJRGYPTQLBGHM-UONOGXRCSA-N	233.399	4.504	0	10	BJAE	
Cc1cc(C)cc(NCc2cc(C)c(C)s2)c1	2019917063	BRWUFGLKGHDGHI-UHFFFAOYSA-N	245.391	4.594	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H]1CCCC(C)(C)C1=O	2020394994	YTGHARBKORNTNI-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC=C(CC)[C@@H](NCCC)C(C)(C)C(C)(C)C	2020969580	PVHLUCXXLZDYJE-CQSZACIVSA-N	239.447	4.783	0	10	BJAE	
CC(C)=CCCC(=O)[C@H]1C[C@H]1C1CCCCC1	2022414555	KZGQDCUPRRKOEY-GJZGRUSLSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)C[C@H](CC)C(C)(C)C	2022487104	PRDVNNIPZVTAFC-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](CC=C(C)C)C[C@H]1CCCC(C)(C)C1	2024091677	KJOXZBOHLQYKHN-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H]2CC(C)(C)CCC2=O)C1	2024126862	YXELFJUVUUZUPX-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H]2C(=O)CCC[C@H]2C)CC1	2024614806	ZBDQXWLHXJJATH-KBUPBQIOSA-N	236.399	4.598	0	10	BJAE	
CCC(C)(C)CCN(C)[C@@H]1CC[C@@H](C(C)C)C1	2025613337	JGJQEONUHSEDRJ-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CN[C@H](C1=CCCCC1)c1ccccc1C(C)C	2027518616	TXYCSNSOGJHZPL-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)c1cccc(C2CC2)c1	2028551107	CBCLFVYGWKPBFP-CXAGYDPISA-N	245.410	4.651	0	10	BJAE	
CC(C)(C)CC[C@@H](O)c1ccccc1C1(C)CC1	2028553319	XYCYLAWSLOVBML-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
Cc1ccc([C@@H](N)CCCCCC2CC2)cc1C	2028630872	KBWBWEKCHXETCD-KRWDZBQOSA-N	245.410	4.664	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)[C@H](C)C1CCC1	2028872825	NDMMBTISGFXVKP-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1CCCCC[C@@H]1NCC1(C2CCCC2)CC1	2029735690	FTPAUTXHPKLANW-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](c1cc(C)ccc1C)[C@@H](C)CCC(C)C	2029822863	FNHLQLAAPHHWPD-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CCC[C@](O)(c1ccccc1)[C@H](C)CCC(C)C	2029834918	BNLDOZZQNCWRFO-NVXWUHKLSA-N	248.410	4.747	0	10	BJAE	
O[C@@H](c1ccc(C2CCCC2)cc1)C1CCCC1	2031745718	MTCHWKZQDBRSSU-QGZVFWFLSA-N	244.378	4.568	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)[C@H]1CC12CCC2	2032132685	RGRVEZZSHYFEHA-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)CC(C)(C)Nc1ccc(C(C)(C)C)cn1	2034903642	PGVQIVUDRRTSEK-UHFFFAOYSA-N	248.414	4.616	0	10	BJAE	
CCCN[C@H](C[C@@H]1C=CCC1)[C@H]1CCC(C)(C)C1	2035587283	BMYKTEACPNVTHC-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCC(CC)C[C@](C)(N)c1c(C)cc(C)cc1C	2037093777	QUOAEGBKESLNHO-KRWDZBQOSA-N	247.426	4.612	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@@]1(N)CC1CCC=CCC1	2037206767	DTIZAXZBQGLCEZ-USXIJHARSA-N	249.442	4.523	0	10	BJAE	
CC(C)NC[C@@H](C1=CCCCC1)[C@@H]1CC[C@@H](C)C1	2037700770	GXACSKSTNYQRJK-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc2nc(C3CCC(C)(C)CC3)[nH]c12	2039360804	WCBNJFJWHPEETG-UHFFFAOYSA-N	242.366	4.555	0	10	BJAE	
C[C@H]1CC[C@@H](CC(=O)c2cccc(C3CC3)c2)C1	2040149497	LWQNXDFKADAMHF-QWHCGFSZSA-N	242.362	4.573	0	10	BJAE	
Cc1ccc(N[C@H](C)C2CCC(C)CC2)c(F)c1	2040632423	FAUIXGGXSNZQEN-HRDQMINSSA-N	249.373	4.761	0	10	BJAE	
CCN[C@@H](C1=CCCCCC1)[C@@]1(C)CC=CCC1	2042023796	FOCBIWNSQCIKEZ-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC(C)c1cccc(N[C@@H]2[C@H]3C=CC[C@H]2CC3)c1	2042525468	BQGJDSNEBGYOSN-GRDNDAEWSA-N	241.378	4.577	0	10	BJAE	
CC[C@@H](N[C@H](C)CC1=CCCCC1)c1ccco1	2043189774	DLEFSXGXOJBCLX-UKRRQHHQSA-N	247.382	4.599	0	10	BJAE	
CC1(C)CC[C@@H](C(=O)C[C@H]2CCC=CCCC2)C1	2045309328	ZIGVSYDZFKERSS-LSDHHAIUSA-N	248.410	4.908	0	10	BJAE	
CC1(C)CCC[C@H]1CNC[C@H]1CCC=CCCC1	2045319256	BSSBTQKDBZZMBR-HOTGVXAUSA-N	249.442	4.539	0	10	BJAE	
CC1(C)CCC[C@H]([C@@H](N)C2CC3(CCCC3)C2)C1	2045506125	OVDIRTONKIIBJX-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C(=O)c2ccc(C(C)C)cc2)CCC1	2045569141	IWLLLFGROIFARX-UHFFFAOYSA-N	244.378	4.963	0	10	BJAE	
CC1(C[C@@]2(N)CCCCC23CCCCC3)CCC1	2047565461	GVXHRSMMIREXGB-KRWDZBQOSA-N	249.442	4.789	0	10	BJAE	
CC1(C)CCC[C@H](N[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048385265	HVPATJRLVGSGQF-CAOSSQGBSA-N	249.442	4.514	0	10	BJAE	
O=C1CCCCCCCC[C@@H]1C[C@H]1[C@H]2CCC[C@H]21	2048470272	MGIDYEIPXWNUPV-LVQVYYBASA-N	248.410	4.742	0	10	BJAE	
CCC(=O)c1ccc([C@@H]2[C@H]3CCCCC[C@H]32)cc1	2049172877	NGRPVDXXTWAHBL-QLPKVWCKSA-N	242.362	4.573	0	10	BJAE	
CCCC1CCC([C@@](C)(N)C2=CCCCC2)CC1	2049487510	XNJQYBMHQDZJSW-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)cc1F	2049539512	HLNISBBBUMKUBO-MRVWCRGKSA-N	249.373	4.761	0	10	BJAE	
NC1(CC[C@@H]2C[C@@H]2C2CC2)CCCCCCCC1	2049675039	JDNJCUDKGSBKCW-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C1CCCCC(NCC2CC3(CCC3)C2)CCC1	2049676560	VCYOREYSXLEPAY-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@@H]1CC2CCC1CC2	2049704916	QGBMLFDZGWHYEU-CKUJCDMFSA-N	248.410	4.742	0	10	BJAE	
CN[C@@H](CCCC1CC1)CC1CCC2(CC1)CC2	2049859167	QAZUQJKPKUCUEG-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc([C@@H](O)CCC2CCC(C)CC2)c1	2050429677	ZGECKPWPICTBDJ-PGEKIEPBSA-N	246.394	4.635	0	10	BJAE	
CC1(CN2CCCC[C@H]2C2CCCC2)CCCC1	2051670738	GFMXCTLWDSJORM-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
CCCN[C@@H](CC1CCCC1)C1(C2CCC2)CC1	2051909083	QPKUFMMQZVDQFN-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CCC(C)(C)C)Nc1ccc(C2CC2)cn1	2052662387	DJYAEPIFAZOVEX-LBPRGKRZSA-N	246.398	4.586	0	10	BJAE	
CC[C@@H](N[C@@H]1CCC[C@H]1C(C)C)c1ccccc1	2053267830	UYFDAZYLUDTXSC-GVDBMIGSSA-N	245.410	4.552	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2055226741	MZEWIRRGWIIBSP-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@H](O)[C@@H](C[C@@H]2CCC=CCCC2)CC1	2055545542	VIUNGWGSXCWWEH-ZACQAIPSSA-N	248.410	4.620	0	10	BJAE	
CC1=C(C)[C@H](N[C@H]2CCC(C)(C)C[C@@H]2C)CCC1	2055550416	BRYJFAIBMZWZQC-CWRNSKLLSA-N	249.442	4.680	0	10	BJAE	
NCC1(CCCCCC2CC2)CCC2(CC1)CC2	2056527847	VIFUHORPOAPYLV-UHFFFAOYSA-N	249.442	4.646	0	10	BJAE	
CCC1CC(C[C@@H](N)C2(C)CCC3(CC3)CC2)C1	2056650024	CPIOKSCDAAMCNR-YMAMQOFZSA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCC[C@H](N)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2059248245	ZYQMXAUABGCOKO-YVYQEZPWSA-N	249.442	4.667	0	10	BJAE	
C/C=C/CCC[C@H](NCCC)C1[C@H]2CCCC[C@H]12	2059256930	TWSDQROMZFHXBA-CRIKOPJCSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](NCC)[C@H]1CCCCC12CC2	2059261304	CYLYJKKQXWFLHZ-CFSAUIFESA-N	249.442	4.681	0	10	BJAE	
CCCCCC(=O)c1ccccc1SCC	2060334793	ZCPBORKKLXYHOL-UHFFFAOYSA-N	236.380	4.562	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CC1)C1=CC[C@H](CC)CC1	2061083856	GCVCFKNFAMUVFC-JKIFEVAISA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC=C([C@@H](N)C2(C)CCCCCC2)CC1	2061096294	TWZZJULVNYTBGR-OAHLLOKOSA-N	249.442	4.811	0	10	BJAE	
C[C@@H](C1CCC1)[C@@H](N)C1=CC[C@H](C(C)(C)C)CC1	2061115519	ICNALICDDSJEOO-VBNZEHGJSA-N	249.442	4.523	0	10	BJAE	
CCC[C@](N)(C1=CCC(C)(C)CC1)[C@H]1CC1(C)C	2061122051	LKMJLXQJOVTZND-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
C=C=CCC[C@H](NCCC)[C@@H]1CCCC[C@H]1CC	2061560344	FASCGVXAGGIGGR-ZACQAIPSSA-N	249.442	4.692	0	10	BJAE	
C=C=CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NCC	2061564136	WHUKSMSZVLANJH-XHSDSOJGSA-N	249.442	4.548	0	10	BJAE	
CCC1([C@@H](N)CC2CC(=C3CCC3)C2)CCCC1	2061736181	CTJNZWDRPLQZDH-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@H](N)[C@H]1CCCCC12CCC2	2062647890	WTMDNUYBWWSHMV-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@@H]1C(=O)CC1C[C@@H]2CCC[C@H]2C1	2063524876	PNAJYALDJTUMFE-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H]1CNC1CCC2(CCCCCC2)CC1	2065893056	UDGILTXOTKZVHZ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@](N)(CCC(C)C)c1ccccc1C1CC1	2065994067	ZSHDCZUADQIMHS-QGZVFWFLSA-N	245.410	4.564	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)C)c1ccccc1C(C)C	2068839730	AURLJDURMUIMSZ-WMLDXEAASA-N	247.426	4.753	0	10	BJAE	
CC1(C)CCC([C@](C)(N)C[C@@H]2CC23CCC3)CC1	2069175773	CRHWLEAUUORTBQ-GDBMZVCRSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CCC2)C1CCCCC1	2069201341	LRSGBUXMYOUJBO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C1(CC(C)C)CC1	2069521286	JQKHKQUXMZACNE-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
CC(C)=CCC[C@](C)(O)c1cc(C)c(C)cc1C	2070393139	QLDWGZQMAWRLRC-KRWDZBQOSA-N	246.394	4.566	0	10	BJAE	
CCCN[C@H](C[C@]1(C)C[C@@H]1C)[C@@]1(C)C=CCCC1	2070866151	CMYCDMFHRMVLTB-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)C[C@@]1(C)C[C@H]1C	2070969124	YLXCFCLPXKCKDU-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CC(C)C1(CC(=O)C2C[C@H]3CC[C@H](C2)C3)CCC1	2071925807	IVAJPDFOJYCLBI-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC(C)C1(C[C@]2(N)CCC3(CCCC3)C2)CCC1	2071941164	QILQMAUYXQLLFA-KRWDZBQOSA-N	249.442	4.645	0	10	BJAE	
CCC1([C@H](C[C@]23CCCC[C@@H]2C3)NC)CCCC1	2074029574	OIJJFNUOJQBPKI-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCC1(C[C@H](O)c2ccccc2C2CCC2)CC1	2074612471	VFCPXCSVUSHYDF-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
O[C@]1(CCC2=CCCCC2)CCC12CCCCC2	2075711642	ZVYVPSITLZTMIS-QGZVFWFLSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC1CCCC1)C[C@@H]1C[C@H]1C1CCCCC1	2079631412	BDFRDWRFOAZHBR-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1C[C@H]1C(=O)C[C@@H]1C[C@H]1C1CCCCCC1	2079863655	KHMQOHHXCJCFSC-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCCCC[C@H](O)c1ccc2c(c1)CCC2(C)C	2082318102	SWBQFDWBKXAWBN-INIZCTEOSA-N	246.394	4.524	0	10	BJAE	
Cc1cc(C)c(C)c([C@H](O)[C@H](C)CCC(C)C)c1	2082941900	LDLQCGNGOPYXRV-CXAGYDPISA-N	248.410	4.718	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)C2[C@@H]3CCCC[C@@H]23)C1	2082986135	LAHGIIMTRVHQPI-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C)c2[nH]c([C@]34CCCC[C@@H]3C4)cc12	2083309903	RVVNGWWFSBBQLR-DYVFJYSZSA-N	239.362	4.616	0	10	BJAE	
CCCC(C)(C)[C@@H](N)CC1C2(CCC2)C12CCC2	2083577743	ALBQNPSSFXNIBF-AWEZNQCLSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](C)C[C@H](N)CCCCCCC1CC1	2210526352	DAWFWFIMRXCEIO-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CC(C)CCC(=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1	2213278977	ASWRMORKDZUJCM-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
O[C@@H]1CCCCC[C@H]1CCCCCCC1CC1	2213575188	CLRAPMGYHRRROM-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
CCCC1CC(O)(CCCCCCC2CC2)C1	2213576065	LZHLGTWYHGFPAR-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](C)CCN(C)CCCCCCC1CC1	2213580826	PIOCGLOFFFPRST-HNNXBMFYSA-N	239.447	4.715	0	10	BJAE	
CC[C@@H]1CC=C([C@@H](N)c2scc(C)c2C)CC1	2213643622	YKCUBDLEDUZRER-TZMCWYRMSA-N	249.423	4.501	0	10	BJAE	
CCC(CC)(CCCCC1CC1)CNC1CC1	2214570285	RSRPZLLQDAZTGS-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCC1(CC)CCC(O)(C[C@@H]2CC[C@@H]2C)CC1	2214981975	NAJLSEMFLWZCQJ-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCn1ccc2c(Cl)cccc21	2215344265	CQTWJAIMWWPOPY-NEPJUHHUSA-N	247.769	4.731	0	10	BJAE	
CC(C)[C@@](C)(O)CCCCCCCCC1CC1	2216876353	CQRQIQSJCJPVCS-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)CC=CCC1	2216890139	FNZSMUXHVHIQAR-INIZCTEOSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H](C)NC[C@H](CCC(C)(C)CC)C(C)C	2217146252	XPPHIJZTAWXVMG-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CC(C)(C)C)CCC1(C)C	2217155460	CKRPRWUXTJRRCY-BBRMVZONSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)C[C@@](C)(CNC1CCC1)C(C)C	2217157789	VWBDUTPAUOIXKA-INIZCTEOSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@H]1N[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218332200	NGDWUEZZHIKVBD-FXUDXRNXSA-N	249.442	4.514	0	10	BJAE	
C[C@@]1([C@@H](N)CCCCCCC2CC2)CC=CCC1	2218721533	SGJFFXYOODNLCD-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
C[C@@H]1CC(CCC=Cc2ccccc2)C[C@@H](C)O1	2219074497	SBDBRWPXUBUSEM-HUUCEWRRSA-N	244.378	4.684	0	10	BJAE	
CCCc1ccccc1[C@H](O)CCCCC1CC1	2220028371	RLEDBQLMBHCXBR-QGZVFWFLSA-N	246.394	4.643	0	10	BJAE	
N[C@@H](CC[C@@H]1CC12CCCCC2)C1CCCCC1	2220289459	YEOMGCCENVSKLY-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCC1CC(=C2CCC2)C1)C1CCCCC1	2220303883	WBCPLETZZCDYNW-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1C[C@H](n2ccc3cccc(F)c32)CC[C@H]1C	2220310949	ODFOCXAPWXTMNX-MBNYWOFBSA-N	245.341	4.778	0	10	BJAE	
CC1(CC(=O)[C@@]2(C)C=CCCC2)CC2(CCC2)C1	2221088165	LESYXVURXBEOFH-INIZCTEOSA-N	246.394	4.662	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@H]2C=CCCCCC2)CC1	2221638850	VCAVUEMGUMSAPZ-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
O=C(CCCCCCCC1CC1)[C@H]1C[C@@H]1C1CC1	2223157583	GWLPAOZXDSRGRH-CVEARBPZSA-N	248.410	4.742	0	10	BJAE	
C[C@@](CNC1CCC1)(CC1CCCCC1)C1CC1	2223544511	CQSJMSDKZRLTFT-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)[C@@]1(CNC2CCC2)CCCC12CC2	2223564723	YTGHEEQOYSBKNY-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC[C@]1(CNC1CCC1)C1CCCCC1	2223577586	PVMSOGCONGCWDF-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@H](O)c2ccc(C3CCC3)cc2)CCC1	2223680716	HCBLRAIKQYRTEC-INIZCTEOSA-N	244.378	4.568	0	10	BJAE	
CC(C)(C)C(C)(C)[C@H](O)c1cccc2ccoc12	2224196027	LIRKYELRKCENHS-CQSZACIVSA-N	246.350	4.539	0	10	BJAE	
CCCN[C@H](C)CC(C)(C)CC1=CCCCC1	2247528825	BTUHHVONNFIQOJ-CQSZACIVSA-N	237.431	4.681	0	10	BJAE	
CCCCC1(NCCCCC[C@H]2C[C@@H]2C)CC1	2248880014	PRYHMYQXCLKYQE-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCCCC(C)(C)CNC1CCC=CCC1	2249287650	ARVZZILFTVBSEW-UHFFFAOYSA-N	237.431	4.681	0	10	BJAE	
CC1(CC[C@@H](N)c2ccc(C3CCC3)s2)CC1	2250297444	BTQPNBKLMYHWMM-GFCCVEGCSA-N	249.423	4.596	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@@H]1CCCC(C)(C)C1	2250354366	CMQGXABMDFJIDI-KKUMJFAQSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)C[C@@H](N)C1CC(CC(C)(C)C)C1	2251536118	QUDCWORYUHKLCR-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
O=C(C[C@H]1CCCCC12CC2)C1CCCCCC1	2253783234	MJCKLQHZRQRRQS-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@H]2CC23CCCC3)C1	2253925763	WHJDHPBXAJWIIC-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)C[C@H]1CC1=CCCCC1	2255091734	NABLLMDLIFBFHU-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC=CCCC[C@@H](C[C@H]1CCCC12CC2)NCC	2255228506	STYXVPAORGGWMD-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
FCc1ccc(NCC[C@H]2CCCC23CC3)cc1	2255291066	LYPLUJYVYNOBKX-CQSZACIVSA-N	247.357	4.538	0	10	BJAE	
CCCc1ccc([C@H](O)CC2(CC)CCC2)cc1	2256316836	GOQYBZOWZSACQI-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNc1cc(C2CC2)ccc1F	2259110379	UEFWKNKIMVGWBO-AAEUAGOBSA-N	247.357	4.551	0	10	BJAE	
C[C@@H](Nc1cc(C2CC2)ccc1F)C1(C)CCC1	2259129820	ZUTUDKCGCNHYMN-LLVKDONJSA-N	247.357	4.694	0	10	BJAE	
CCC[C@H](CC)[C@H](O)Cc1ccccc1C(C)C	2259436588	NUAHKCQTMHWAAX-WMLDXEAASA-N	248.410	4.540	0	10	BJAE	
C[C@@H]1CCC[C@H](CCC(=O)[C@]23CCC[C@@H]2CC3)C1	2260516392	MNJPNQCRTCCCCZ-ANQUJSFKSA-N	248.410	4.742	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@@]12CCC[C@H]1CC2	2260607417	RSLCQVRNCWVLIF-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@]23CCCC[C@H]2CC3)[C@H](C)C1	2260657540	JJVKKTOQEVXKKF-LVNYTYFRSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CC(=O)c1cccc(C2CCCC2)c1	2260660209	CSOVIHQDBXGKKT-MLGOLLRUSA-N	242.362	4.573	0	10	BJAE	
CC(=CC1CC(CC(C)(C)C)C1)[C@H]1CC[C@@H](N)C1	2261295578	KQQYXOAFRHDSBS-SSHXOBKSSA-N	249.442	4.523	0	10	BJAE	
Fc1ccc(CCC/C=C/c2ccccc2)cc1	2263169469	KIWWRHRXUURWNJ-WEVVVXLNSA-N	240.321	4.862	0	10	BJAE	
CCC(CC)CC[C@@H](N)[C@H]1CC12CCCCC2	2300675104	BHENVLYBFLXNRJ-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1	2300683665	MBEAYTHDMWIBKD-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
CCC(C)=CCN[C@H]1CCC[C@H](C(C)(C)C)C1	2300860721	JYNFCXFFGZQLIV-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C(=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301143947	YQOYTGIFSPPFBN-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](N)C1CCCCCCC1	2301824210	AZBBQVITIKSOMW-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CC(C)NC[C@H]([C@@H](C)[C@H](C)C(C)C)C(C)(C)C	2301830171	VPGLYHRWORJXNN-QLFBSQMISA-N	241.463	4.575	0	10	BJAE	
CCCCC[C@H](NCCC)[C@H](C)[C@H](C)C(C)C	2301959692	VUORWHDHKSQILA-OAGGEKHMSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)(CC)NC[C@H]1CC[C@@H]1C(C)(C)C	2303462169	PJLOWDRFGAHDQJ-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
S=c1cc([C@H]2CC23CCC3)[nH]c2ccccc12	2304030058	KAXBJFSHEQHEBT-LLVKDONJSA-N	241.359	4.555	0	10	BJAE	
CCN[C@H](CC)[C@@H](C)CC[C@@H]1CCC(C)(C)C1	2304439660	MBNDFHGSSDADLO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)N(C)CC[C@H]1CCC(C)(C)C1	2304439792	MENLNYFXCCLZFH-LSDHHAIUSA-N	239.447	4.713	0	10	BJAE	
CCCCCCc1ccccc1OC(C)(C)C	2307648639	WYDHQYMVEVAQAT-UHFFFAOYSA-N	234.383	4.987	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@@H](CC)CCC)[C@@H]1C	2307910141	XJRJPWQMAXYTMQ-CAOSSQGBSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2C[C@@H]3CCC[C@@H]32)cc1	2308106498	QTSNWQXGTMXGTB-RCBQFDQVSA-N	243.394	4.585	0	10	BJAE	
CC(C)[C@H]1CC[C@](N)(C[C@@]23CCCC[C@@H]2CC3)C1	2313353018	HDKVCGFSYLVVCX-VVLHAWIVSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1ccc(C)c(CC)c1	2314712531	PNASHMSKPISSET-PBHICJAKSA-N	248.410	4.807	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@]12CCC[C@H]1C2	2315878828	YTPLIRZIWKXPFZ-DOTOQJQBSA-N	243.394	4.721	0	10	BJAE	
CC=C(C)[C@@H](NCCC)[C@H]1C[C@H]2CCC[C@H]1CC2	2316782636	KRHHGEHPNBKKCA-LUKYLMHMSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2316870966	WIFGVCHUVCPNLQ-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)c1cccc2ccoc12	2317840646	XPNCLGWJYWMEFK-NEPJUHHUSA-N	244.334	4.544	0	10	BJAE	
C1=C(CCCC[C@H]2CC[C@@H]3C[C@H]2CO3)CCCC1	2318572926	LOMWVQFAWZYYEZ-YESZJQIVSA-N	248.410	4.862	0	10	BJAE	
NC1(CC[C@@H]2C[C@H]2C2CCCCCC2)CCCC1	2318858821	XBGXPZIJGWKHMY-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@@H]2CCC[C@H](C)[C@@H]2C)CC1	2320268726	SNVIKRMLBUMVTP-QMCVQRASSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)[C@@]1(C)CC1(C)C	2320388806	UHIRPQMDCQZGNB-ZMSDIMECSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1cccc([C@H](O)[C@H]2CC(C)(C)[C@H]2C)c1	2320522134	XHIPBYNPHPCFLI-RCBQFDQVSA-N	246.394	4.526	0	10	BJAE	
CC(C)c1cccc(C(=O)C[C@H]2CCC[C@@H]2C)c1	2320572304	UBYVVAFUUKMBOQ-DZGCQCFKSA-N	244.378	4.819	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CC[C@H]2CC(C)C)c1	2321081087	BSVGCGPZAKDDPP-BBRMVZONSA-N	249.373	4.625	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C[C@H](C)c1ccccc1	2328193297	LGEPDWORTZKUSV-YQQAZPJKSA-N	248.410	4.758	0	10	BJAE	
CCC[C@H](CC)C[C@H](CNC)c1ccc(C)cc1	2328195502	DVZCROBRWZLRQU-DOTOQJQBSA-N	247.426	4.514	0	10	BJAE	
Cc1ccc(-c2cc3cc(F)ccc3[nH]2)c(C)c1	1518226	GTCIRSLUGYYJRL-UHFFFAOYSA-N	239.293	4.591	0	10	BJAE	
CC[C@H](Nc1ccc(F)cc1C)c1ccccc1	20021637	BXYOGJBZFGWBIU-HNNXBMFYSA-N	243.325	4.697	0	10	BJAE	
Cc1ccc(F)c(NC2CCCCCCC2)c1	20471839	NJTWHIFDXZHZRZ-UHFFFAOYSA-N	235.346	4.659	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](N)c1ccc(Cl)cc1	20482212	NFKKGAUYCWQJPJ-BXUZGUMPSA-N	239.790	4.556	0	10	BJAE	
CCCCCC[C@H](C)Oc1ccccc1C(C)=O	20516867	RONFDCRWXQKMTP-ZDUSSCGKSA-N	248.366	4.627	0	10	BJAE	
CCc1cccc(N[C@H](CC)c2cccs2)c1	21818359	TZZRSUUVSWILPM-CQSZACIVSA-N	245.391	4.874	0	10	BJAE	
CCCCC[C@H](C)N[C@H](CC)c1cccs1	36792008	IZDALKNCYFKFJK-QWHCGFSZSA-N	239.428	4.758	0	10	BJAE	
CCCC[C@H](C)N[C@H](c1ccccc1)C(C)C	37281125	LUDQLTITKFANJF-HOCLYGCPSA-N	233.399	4.552	0	10	BJAE	
CC[C@@H](N[C@H](C)c1cc2ccccc2o1)C(C)C	37301598	NDFCKNOAVQZHEW-TZMCWYRMSA-N	245.366	4.518	0	10	BJAE	
C[C@H](Nc1ccc(C(C)(C)C)cc1)C1(C)CC1	37467653	GVPAFEIXRFJLGG-LBPRGKRZSA-N	231.383	4.585	0	10	BJAE	
CCCC[C@@H](CC)Nc1ccccc1SC	68986381	PJHHWSRHIRHADG-GFCCVEGCSA-N	237.412	4.789	0	10	BJAE	
CCCC[C@H](CC)N[C@H]1CCCc2ccccc21	69371057	SZZQMRGHWLAGRR-RDJZCZTQSA-N	245.410	4.622	0	10	BJAE	
CCCN[C@H](c1ccc(CC)cc1)[C@H](C)C(C)C	70123602	OFAYCXYIMFKADY-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
Cc1cccc(OCc2ccc(C(C)C)cc2)c1	70238303	VJHVFSKTERRDSJ-UHFFFAOYSA-N	240.346	4.697	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1Nc1ccc(F)cc1C	70977663	HHXVGBVITIFJEO-IUODEOHRSA-N	235.346	4.515	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](CCC)CC[C@@H]1O	82438347	ZFFYLOJEOBZPAH-KFWWJZLASA-N	226.404	4.534	0	10	BJAE	
Cc1ccccc1N[C@H]1CCCC(C)(C)CC1	86894106	VFYIAHBZYZCDGR-AWEZNQCLSA-N	231.383	4.766	0	10	BJAE	
CC(C)CCCN[C@@H]1CCC[C@H](C(C)C)CC1	86944728	OVSUQEDSFJAUOI-JKSUJKDBSA-N	239.447	4.617	0	10	BJAE	
Cc1ccccc1[C@H](C)N[C@@H]1CCCCC[C@@H]1C	88508924	YLVDEHMULLJHFK-YQQAZPJKSA-N	245.410	4.614	0	10	BJAE	
CCCCCC(C)(C)CNCc1ccc(C)cc1	94984362	PLYUQLIZXCYJHU-UHFFFAOYSA-N	247.426	4.691	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](N)c1ccccc1	109655968	BCFCQRMCLLSJEV-GOEBONIOSA-N	233.399	4.683	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)CC1CCCC1	110208725	IRKCMAAJNPAXJB-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
Cc1cc(C)c([C@H](O)C[C@H](C)C(C)(C)C)c(C)c1	111653798	IFEPDCXDNOTUTL-LSDHHAIUSA-N	248.410	4.718	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)c1cccc(CC)c1	122687670	SCFHHMSITZJZKW-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
C[C@H](Nc1ccccc1C(F)(F)F)C(C)(C)C	122937555	QGBNRMQAOARCBN-VIFPVBQESA-N	245.288	4.552	0	10	BJAE	
CCCN[C@@H](CCC(C)(C)C)[C@@H](C)CCC	126811217	SGUYUBGRTPFRFL-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H]1CC(C)(C)CC[C@@H]1CNC(C)(C)C	130063626	CJJZELIQPJKAEV-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](N[C@H](C)c2ccco2)CC1	160761047	SHXOAGWOUCSOAA-QLFBSQMISA-N	249.398	4.535	0	10	BJAE	
CCCN[C@@H](CC1CCCCC1)C[C@@H](C)CC	161051844	BHFPMGSSKGDPEP-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](CC(C)C)C[C@@H](C)CC(C)(C)C	168153520	PADGKUNIXYWCPH-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCSc1ccccc1SC(C)(C)C	205434992	POMKHTRZBQNHPG-UHFFFAOYSA-N	226.410	4.689	0	10	BJAE	
Cc1ccc(O[C@H]2CC[C@H](C)[C@@H](C)C2)c(C)c1	222541510	DYHRJOIXEKQOKO-YDHLFZDLSA-N	232.367	4.507	0	10	BJAE	
CCCC1CCC(Nc2c(C)cccc2F)CC1	224956786	ZDXRCGVVNUOYBB-UHFFFAOYSA-N	249.373	4.905	0	10	BJAE	
C[C@@H]1CCC[C@H]1C(=O)c1cccc2ccsc12	226794404	XBNDKKTWBXZKAK-ZYHUDNBSSA-N	244.359	4.520	0	10	BJAE	
CNC/C(=C\C1CCC(C)CC1)C1CCCCC1	228119740	MNVNVCYIGFVZPS-SFQUDFHCSA-N	249.442	4.539	0	10	BJAE	
CCCC1(CN[C@@H]2CCC[C@H](CC)CC2)CC1	233035362	JLOFXLILYZZQMF-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](C1=CCCCCCC1)c1ccsc1	233546472	HDVBKUTUHMJGDN-HNNXBMFYSA-N	249.423	4.679	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)[C@H](CC)c1ccccc1	253041269	LEMARJSEDHANEM-DJIMGWMZSA-N	247.426	4.595	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@H]1CCCC[C@@H]1CC	253053115	WUWGZIDCZFQDQW-FXUDXRNXSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@H](Nc2ccc3ccccc3c2)CC1	253123766	KDWLXRWNECQCHR-SAZUREKKSA-N	239.362	4.830	0	10	BJAE	
CCN[C@@H](C[C@H](C)CC)C1=CCCCCCC1	300143452	WLMSKCKWPALJKS-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
Cc1ccc(NCCC2CCCC2)c(Cl)c1	300755831	MOADISOUPLSAAV-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1cc(C)c(Cl)s1	300912300	KCSBMJNKMYOFLU-LDYMZIIASA-N	245.819	4.536	0	10	BJAE	
CC(C)CCC[C@@H](C)NCCCC(C)(C)C	300948178	WWUYORNVRYRDHG-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC(C)(C)C)NCC	301010203	ZTURSQIJUIFROD-UONOGXRCSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](c1cc(C)cc(C)c1)[C@@H](C)CC(C)C	302545893	JAXKPEPMZWUTOK-RDJZCZTQSA-N	247.426	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@H]1/C=C/CCCCC1	302548252	ZPMCNBYUWYRMET-FKZPHDOYSA-N	237.431	4.680	0	10	BJAE	
Fc1cc(C(F)F)c2cc(Cl)sc2c1	306691807	QSLGOJOTVFPWJV-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H](CCC)CC(C)C	308042230	CISLZZBNQMUTPA-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CC)C(C(C)C)C(C)C	310188718	XFLDHKANXNUHPB-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
CCCC1([C@H](N)C[C@H](C)C2CCCCC2)CC1	310375332	ZMGWIZKAMNGSNX-DZGCQCFKSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCNC[C@H](C)C1CCCCC1	310454656	CLYSSENMFGVOME-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](c1ccccc1CC)[C@H](C)CC(C)C	310757074	NXUNPRBUAGOQME-PBHICJAKSA-N	247.426	4.582	0	10	BJAE	
CCC[C@H](NCC)[C@@H]1CCCC12CCCCC2	313009332	JBSDIOZBYNSHRF-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)c1cc(Cl)ccc1C	319673268	DHFROHBGISMUPY-GXSJLCMTSA-N	238.758	4.513	0	10	BJAE	
CCCNCC/C=C/C[C@@H](C)C1CCCCC1	380062151	YJLQYWBNHUCZOS-LLYBFZRZSA-N	237.431	4.539	0	10	BJAE	
CC[C@H]1CCC[C@@](N)(CCCCCC(C)C)C1	383206948	PDUWWNVLPKSAQH-HOTGVXAUSA-N	239.447	4.891	0	10	BJAE	
CC(C)CCCCCNCCC1CCCCC1	383261445	LWZMDKSEWLSDHH-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)CCCCCSc1cccc(N)c1	383299256	SRDYPGXPHPWFAY-UHFFFAOYSA-N	237.412	4.577	0	10	BJAE	
CC(C)C(C(C)C)[C@@H](O)CCC1CCCCC1	383403829	PYTRWKPUPZLTER-HNNXBMFYSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CN)CCCC[C@H]1C	384730147	BAAUYCRREUKBDN-PMPSAXMXSA-N	239.447	4.748	0	10	BJAE	
C[C@H]([C@H](O)c1ccc(C(C)(C)C)cc1)C(C)(C)C	385372069	CJTGHLKAUJIOFF-DOMZBBRYSA-N	248.410	4.700	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](N)c1cccc2ccsc12	386240109	AREDZMSLJMHXFJ-SMDDNHRTSA-N	247.407	4.583	0	10	BJAE	
CCCC[C@H](CC)C[C@H](O)[C@H]1C[C@@H]1CC(C)C	387920774	PYKQNJLKWISUDX-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CCC1(NC[C@@H]2CCC[C@H](C)C2)CCCCC1	389491376	SLGYCPJCBFDDAG-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1CNc1cc(C)ccc1C	401574966	HIDUEFZPVJWUAG-JKSUJKDBSA-N	245.410	4.932	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CC2	402208997	IPDOQWKEXIPBTN-XUWVNRHRSA-N	248.410	4.620	0	10	BJAE	
CCCC1(CNc2c(C)cccc2CC)CCC1	687523243	UHWWSBPGONDWRL-UHFFFAOYSA-N	245.410	4.940	0	10	BJAE	
CC(C)COc1ccccc1N[C@H](C)C(C)(C)C	687791911	KXCSFLAUVKGKAT-CYBMUJFWSA-N	249.398	4.568	0	10	BJAE	
CCSc1cccc(N[C@H]2CCC[C@H](C)C2)c1	689702318	OYWMUAQRAIMDIG-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
CCCCC[C@@H](C)N[C@H](C)CC1CCCCC1	689831845	OJYCLNDAISGTBA-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CC(C)=CCNc1cc(Cl)c(C)c(Cl)c1	690283299	RENCTCOKPJHFNI-UHFFFAOYSA-N	244.165	4.680	0	10	BJAE	
CCCNCC1(C[C@H]2CCC[C@@H](C)C2)CC=CC1	690534454	RDUTZBCRGWTZMD-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
Clc1cccc(NC[C@H]2CC3CCC2CC3)c1	691701178	JYEDMGNNPBUPKY-WXRRBKDZSA-N	249.785	4.578	0	10	BJAE	
O[C@@H](C1=CCCCCCC1)[C@@H]1CCCC2(CC2)C1	696495556	LJTWBPQYSPBOGY-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
CCC(C)(C)CC[C@](C)(O)c1ccc(C)c(C)c1	696684512	QFELIACWHRAKCJ-KRWDZBQOSA-N	248.410	4.727	0	10	BJAE	
CCN[C@H](CCC=C(C)C)C(C)(C)C(C)(C)C	697758140	FOOZFKSVKDJIOH-CQSZACIVSA-N	239.447	4.783	0	10	BJAE	
CCNC[C@@]1(CCC=C(C)C)CCCC[C@H]1C	698031065	BKLNNVBDDHBDMC-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(CC)/C(C)=C/CCNC(C)(C)C	701181417	UCWSTYKPLIVFQG-ACCUITESSA-N	225.420	4.537	0	10	BJAE	
Cc1cccc(N[C@H](C)[C@@]23CCCC[C@@H]2C3)c1C	709115683	TUPXSNRUWZLPCK-INMHGKMJSA-N	243.394	4.684	0	10	BJAE	
CCCC(CCC)[C@@H](O)CCCC1CCC1	711161298	BKYXOTZLYQKKOT-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCN[C@H](C[C@H](CC)C(C)(C)C)[C@@H](C)C(C)C	711162225	KXGJVDCIMVAJRG-SOUVJXGZSA-N	241.463	4.719	0	10	BJAE	
CC[C@H](CC(=O)[C@H]1CCC[C@H](C)C1)C(C)(C)C	711186223	BOUCLSGPFCXTQC-MELADBBJSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(C)CC[C@@](O)(CC)c1ccsc1	711258940	YMLWBBKNCHJLGB-AWEZNQCLSA-N	240.412	4.562	0	10	BJAE	
CC[C@H](N[C@H](C1CCCC1)C1CCC1)C1CCC1	711864290	PWZHBEWCLSZJHI-DLBZAZTESA-N	249.442	4.514	0	10	BJAE	
Cc1c(F)cccc1N[C@@H]1CC(C)(C)CC[C@@H]1C	713069204	XJHSIVOUAGQSRY-XHDPSFHLSA-N	249.373	4.761	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC(C)(C)C)NCCC	713209544	CLULLLRWTBTVDI-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
C=C/C=C/CCC(=O)[C@]1(C)CC[C@H](C)C1(C)C	713695943	PSHZOJWPVIEDBS-FPHSSYOQSA-N	234.383	4.540	0	10	BJAE	
CCC[C@H](N[C@@H]1CCC[C@H]2CCCC[C@@H]21)C1CC1	714301977	BRTZXECWTPWQLU-BSWAZPDLSA-N	249.442	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@@H](O)c1cccc(C2CC2)c1	718746591	GIMKVRFEQWSXFU-QGZVFWFLSA-N	244.378	4.734	0	10	BJAE	
CCc1cccc(C)c1N[C@@H]1CC[C@@H]2CCC[C@@H]21	722078892	PIKMQMROYAIKEK-HRCADAONSA-N	243.394	4.548	0	10	BJAE	
C1CCC([C@H](NCCC2CCCC2)C2CC2)CC1	724010286	OHHQROKERUVRJR-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc(CC2CCCCC2)cc1C=O	725433405	VKYYUQZZRRPHBK-UHFFFAOYSA-N	244.378	4.745	0	10	BJAE	
CCC(CC)N(CC(C)C)C[C@@H]1CCC[C@H]1C	1906322808	ICGPLGCZCIVKPQ-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCCC(CCC)C(=O)C[C@@H]1C[C@H]1C1CCC1	1910565046	BJIKERMNMBEPMA-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1C[C@H]1[C@@H](CCCC(C)(C)C)NCC	1910617728	LHZBOLAWBRPQJG-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
C=CC=CCC[C@@H](CC1=CCCCC1)NCCC	1912104759	SPBULSBKSGSCIB-KRWDZBQOSA-N	247.426	4.768	0	10	BJAE	
C[C@@H](CC(=O)[C@H]1CCCC12CCC2)C(C)(C)C	1921618997	HFGWRLJCTODZCH-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
O=C(CCCCCC1CC1)[C@H]1CCCC12CCC2	1921635244	FAHPROOETVFVJV-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC[C@H]1CCC[C@@H](C2(N)C[C@H]3CCC[C@@H](C3)C2)C1	1923474937	FIPDFEOKISDJME-YHUYYLMFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC2(N)C[C@H]3CCC[C@@H](C3)C2)C1	1923475810	HWPNRMAXNPQPPI-WCVJEAGWSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C(=O)[C@H](C)C2CCCCC2)ccc1F	1924100868	ZGVAFFUHASVFRN-GFCCVEGCSA-N	248.341	4.533	0	10	BJAE	
Cc1csc([C@@H]2CCCC(C)(C)CC2)n1	1935226191	OVJIKTISCPECAE-LLVKDONJSA-N	223.385	4.525	0	10	BJAE	
Cc1scc(C(=O)[C@@H](C)CCC(C)C)c1C	1937161764	MWGYMROCESEKIX-JTQLQIEISA-N	238.396	4.620	0	10	BJAE	
CCCC[C@@H](N)CC[C@@H](C)C1CCCCC1	1939114541	YXPBGFASUXWYJS-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](N)CC1(C)CCCCC1	1940407495	JFEWVALXKIPCSY-LSDHHAIUSA-N	239.447	4.891	0	10	BJAE	
CCN[C@H](CC(C)(C)C)CC1(C)CCCCC1	1940410722	SPQGBRPFQQBVCW-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)C[C@H](C)C1CC1	1940707293	WKIBYPCPNDAPBV-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@](CC)(CCCC1(C)CC1)C(=O)O	1940875988	KOOWKXVHTLCKJQ-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(CCC2CCC2)CC1	1941471057	YUFHWUWHODUYQO-JKSUJKDBSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC(=O)C2(C)CC(C)(C)C2)C1	1941987787	MOXPROUYQAFJBN-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)C1CCC(C)(C)CC1	1942662493	NZUMTVPLSDEZPT-HIFRSBDPSA-N	239.447	4.602	0	10	BJAE	
C1CCCCC(NCCC2CCC2)CCCC1	1947880929	JABDTVBPSYEIRZ-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CCC1CCC(C(=O)CCC(F)(F)CC)CC1	1947990981	OMCGUMGYLQJBGM-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CC[C@H](C)C1(CNC(C)(C)C)CC(C)(CC)C1	1948410941	JVNGOMXCCJKSEJ-JEYLPNPQSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](NCC)[C@H]1CCC(C)(C)C1	1949551646	LTHBUCBMJNFKPX-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CCC=CC[C@H](CCC)c1c(C)cccc1O	1951309147	VQMLVXFUZMJQPD-AWEZNQCLSA-N	232.367	4.941	0	10	BJAE	
CC(C)CCCN(C)CC1CCC(C)(C)CC1	1962923577	XILXYKSUTVBMIV-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC1(CC)CC(N[C@@H]2CCCCC2(C)C)C1	1963181823	GCMPSRHFYCFLBL-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
C1CCC(CCCN[C@H]2C[C@H]2C2CCCC2)CC1	1967829282	ZSCKYRHAECIWIS-IRXDYDNUSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)Nc1ccc(C2(C)CC2)cc1	1967842366	IALGNLUZOZLBRF-CQSZACIVSA-N	245.410	4.975	0	10	BJAE	
Cc1ccccc1N[C@H]1CCCC2(CCC2)C1	1968251226	AONJCIOVRBYIFR-AWEZNQCLSA-N	229.367	4.520	0	10	BJAE	
CCc1cccc(NC2C[C@H]3CCCC[C@@H]3C2)c1	1968339889	PWEJKAHMMIGWKV-HUUCEWRRSA-N	243.394	4.630	0	10	BJAE	
COC(C)(C)c1ccc(-c2ccsc2C)cc1	1973405398	LPFRTQUVNYZFIM-UHFFFAOYSA-N	246.375	4.605	0	10	BJAE	
C[C@H](N[C@@H]1CCCC2(CCCCC2)C1)C1(C)CC1	1973862783	FZCOATLZFFMVEL-LSDHHAIUSA-N	249.442	4.658	0	10	BJAE	
CCCCC[C@@H]1CCCCCC[C@@H]1NCC	1980336865	OGDCYXDFSGYYPK-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CC[C@@H](C)C[C@H](N)C1(C)CCCCCCC1	1981416394	OLVGEXKXRDLGRK-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CC=CCCC[C@@](CC)(CCCC)CNC	1984632906	QZZALAOZCGCGPC-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
C/C=C/CCCOc1cc(C)c(Cl)cc1C	1989924030	HMPKONXJSLAVFM-SNAWJCMRSA-N	238.758	4.692	0	10	BJAE	
CCCCC[C@](N)(CC)C1CCCCCC1	1990089502	IKPDKHBIOKCZQC-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
C=CC=CCCC(=O)CC[C@H](C)CCCC	1995215840	ZJVZYDRUNLVTGW-CQSZACIVSA-N	222.372	4.684	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C1CCCCC1	1995262151	KXZWFQNAEFDAIJ-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCC1(CC)CCCN(CCC(C)=C(C)C)C1	1995752078	REQVCQGFQLPELP-UHFFFAOYSA-N	237.431	4.635	0	10	BJAE	
Cc1cccc(N[C@@H](C)C2CCC(C)CC2)c1	1996545770	CBUOLCJIFKQUNP-BLZCZZARSA-N	231.383	4.622	0	10	BJAE	
CCCCC[C@](N)(CC)C1CCC(C)(C)CC1	1996593724	HTBDIXIRTAYXCW-MRXNPFEDSA-N	239.447	4.891	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CCCC(C)C	2000373705	SLJWOCSGNMGDRA-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
CCCN[C@@H](CC1CCC1)C(CC)(CC)CC	2000389690	GIGRWLAVMSICJI-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCNCC(CC)(CC)C[C@@H]1C=CCCC1	2000500098	QUGMYFMMTLIRFB-OAHLLOKOSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C)[C@@H](C)C(=O)C[C@@H](C(F)F)C(C)(C)C	2002439293	ZBLWVIULDSTDGF-AXFHLTTASA-N	248.357	4.555	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@]1(C)CCCC1(F)F	2002575270	CBNSSVPKMOLILW-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
O[C@H]1CCCCCC[C@H]1CCCCCC1CC1	2003099522	OBNOWDSLDTZZSO-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)CC[C@@H](N)C[C@@H]1CCCC2(CC2)C1	2003215586	VUVPDCYLZPQISM-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)[C@@]2(C)C=CCCC2)c1	2003334388	LQRJSYNDPFNLLE-HNNXBMFYSA-N	248.753	4.578	0	10	BJAE	
CCCC(CCC)CNc1cc(F)cc(F)c1	2004711508	KSMLQKUXXFLRIZ-UHFFFAOYSA-N	241.325	4.593	0	10	BJAE	
CC=C(C)[C@H](NCCC)[C@H]1CCCC[C@H]1CC	2007852648	GCWJECXBIDRYKL-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C=C2CCCCC2)CC1	2007969117	YAFALUMZGXXJOU-GDBMZVCRSA-N	235.415	4.565	0	10	BJAE	
CCC1(CC)CC(O)(CCC2CCCCC2)C1	2009298183	GAGDOWJCDDSKMY-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CC(C)C(C)(C)C[C@H]1CCC(C)(C)CC[C@H]1N	2009411169	NZUODVQSEAJWAC-ZIAGYGMSSA-N	239.447	4.602	0	10	BJAE	
CCCCCC1CC(O)(CCCC2CCC2)C1	2009716255	QBKRZXWWPVKZLZ-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CCCC[C@](N)(CC)C[C@H]1C[C@@H]2CCC[C@@H]2C1	2011986046	KPPCYEWKGCBAJA-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CC(C)[C@H]1CCC[C@H](CC2(C)CCCCC2)N1	2013531475	TWEDLLORRRCTSO-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(O)C2(C)CCCC2)C1	2014329010	MQSRDZGWLMWASC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@](C)(N)C2(C)CCCC2)CC1	2014337637	DVMKEJSCCUUUEQ-XUJLQICISA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](CCC(C)C)N[C@H](C)C1(C)CCCC1	2014340054	OWAYNVMPGLOXHQ-CABCVRRESA-N	239.447	4.760	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)C(C)C)CC(C)(C)CC	2015282338	UXBPHPQWRUFBOE-CABCVRRESA-N	241.463	4.863	0	10	BJAE	
CCC1(CN(C)C[C@H](C)CC(C)(C)C)CCC1	2015629464	YCVMUSBLRQGWEC-CQSZACIVSA-N	239.447	4.571	0	10	BJAE	
CCCC1(C[C@H](NC)C2CCCCC2)CCC1	2015642730	UDVUGWOOVMCOKM-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
C[C@@H]1C[C@@]1(C)C[C@@H]1CCCCCCCCC1=O	2016425331	WASNAXMBMCNMBV-YCPHGPKFSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H](CC)CC(C)C	2017478543	SGLXCXLZDNJHFS-JKSUJKDBSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)[C@@H]1CCC[C@@H](C)C1	2017485502	FQTZLHPPAAWXMY-FVQBIDKESA-N	237.431	4.537	0	10	BJAE	
CCCC1CCC(C[C@@H](N)C2(CC)CC2)CC1	2017722729	RJYZCRDEIGMREA-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](N)[C@H]2CCC[C@H](CC)C2)CC1	2018915250	FDMSMBAEDZZGMP-KKUMJFAQSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2C=CCCCC2)C1=O	2020392949	NEKMYYDQJFKHMV-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCCN(CCC(C(C)C)C(C)C)C1CCC1	2020634936	FWENWKPYUBXILG-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1cccc2sccc12	2022410827	CCPRENWPGXRXFO-GXFFZTMASA-N	244.359	4.520	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@H]1CCCC(C)(C)C1	2024092802	VBKOJLRXALFCQS-HOCLYGCPSA-N	239.447	4.891	0	10	BJAE	
CCC[C@H](C)[C@@H](C[C@@H]1CCCC(C)(C)C1)NC	2024101439	KQDRBOBJBFLCQW-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@](C)(O)C[C@H]1CCCC(C)(C)C1	2024126054	VREPIEANLCIKHU-BBRMVZONSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)[C@H]1CCCC[C@@H]1C	2026166744	MCTMSKVSOZIUJE-VGWMRTNUSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](C)CC[C@H](N)C[C@H]1C[C@H]1CCC	2026169881	LRQQAKNQLQXRSW-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
CN(C1CCCCCC1)[C@H]1CCCC[C@H]1C1CC1	2026966711	NHBJWWXQWAHLKN-IRXDYDNUSA-N	249.442	4.610	0	10	BJAE	
CC(C)C(C)(C)CN1[C@H]2CC[C@H]1c1ccccc12	2027028302	DLVSQRAZDCLGPE-HOTGVXAUSA-N	243.394	4.560	0	10	BJAE	
CC1CCC(C[C@](C)(F)c2cccc(N)c2)CC1	2027939383	ILQCQDZUMWANST-ZUEPYMLJSA-N	249.373	4.670	0	10	BJAE	
CC[C@H](C(=O)CCC=Cc1ccccc1)C(C)C	2028261644	HZXLZYWXGHNNJF-INIZCTEOSA-N	244.378	4.731	0	10	BJAE	
CCCN[C@@H](c1ccccc1)[C@H](CCC)C(C)C	2028265354	RPHFQVLHDZLWLS-SJORKVTESA-N	247.426	4.800	0	10	BJAE	
N[C@H](CCC1CCCC1)c1ccccc1C1CC1	2028560388	PTDBZDAVUWVATR-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CC(C)(CCC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21)C1CC1	2028786031	IFIQMYFTULGHOV-AEGPPILISA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)[C@@H]1CCC[C@@H]1C	2028898670	VFBBSBQEIQOSBO-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](N)c1ccccc1CC(C)C	2028915835	SXFUQUNETJNIRW-VBQJREDUSA-N	247.426	4.567	0	10	BJAE	
CC1CC(C)(C(=O)c2ccc(C3CCC3)cc2)C1	2029105098	LOJBSYZMUQMVTG-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@@]12CCCC[C@H]1CCC2	2031797829	HDEULGIAAHVZIJ-LTIDMASMSA-N	249.442	4.658	0	10	BJAE	
C(CN[C@@H]1CCCC2(CCCC2)C1)CC1CCC1	2034372888	YJEKLDSGNRDYTI-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H]1CC[C@H](NC2C[C@@H]3CCCCC[C@H]3C2)C1	2035866692	ZKWCZRTURLWOSR-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC[C@](N)(C1CCCC1)[C@H]1CCC2(CCCC2)C1	2037575024	FGWLYXSAOHOCJF-RDJZCZTQSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H]1CC[C@H]([C@H]2CCC3(CCCC3)C2)C1	2037700893	WYSLWQWAHRQUDF-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C1=CCCCCC1)C1(CC)CCC1	2039719881	LYOMRTAHMIXZRR-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
CCCCc1ccc(NC[C@H]2CC[C@H](C)C2)cc1	2040122192	ZQCWZGVJJCMCPB-HOCLYGCPSA-N	245.410	4.877	0	10	BJAE	
C(=Cc1nc2ccccc2s1)c1ccsc1	2040456674	DLZWDMKBVNCRFZ-UHFFFAOYSA-N	243.356	4.528	0	10	BJAE	
CCCC(C)(C)[C@@H](NC)c1cc2ccccc2o1	2040724601	XGCZELCZLYHFME-HNNXBMFYSA-N	245.366	4.520	0	10	BJAE	
NCC1(C[C@@H]2CCC=CCCC2)CCCCCC1	2045316480	DVKRNCDVNMDIMP-MRXNPFEDSA-N	249.442	4.812	0	10	BJAE	
CCCC1CC(CNC[C@H]2CCC=CCCC2)C1	2045319124	ANMOXCKRRQYTHB-GTPINHCMSA-N	249.442	4.539	0	10	BJAE	
CCCNCC1([C@H]2CCCC(C)(C)C2)CC=CC1	2045503135	ACJURTYWEIKSEJ-HNNXBMFYSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CCC[C@@H](N2CCC3(CCCCCC3)C2)C1	2045519711	DOOMOHYLHDSJGO-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CC1CCC([C@](C)(N)C[C@H]2CC23CCCC3)CC1	2047054383	DBCSGSMIQBJBMM-SSHXOBKSSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CCCCCC1CC1)C[C@H]1CCC12CCC2	2047931282	DPWXIFSHZJQNHL-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
C[C@H](N[C@@H]1CCC2(CC2)C1)[C@@H]1CCCC(C)(C)C1	2049533465	RGBCHPIQQVZNNV-RRFJBIMHSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@]1(C)C=CCCC1	2049997589	OOHVYKZYXCCOIT-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
CC(C)NC[C@@]1(C2CC=CC2)CCCC(C)(C)C1	2053691401	JHEFLBIYFDAFGI-QGZVFWFLSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](CC)CO[C@@H](C)c1ccccc1N	2056115538	HWCIGNORAZBIMG-KBPBESRZSA-N	249.398	4.563	0	10	BJAE	
CC[C@@H]1CC[C@H](NCC2(C)CCC3(CC2)CC3)C1	2056537188	VDFLEEVPRVKECM-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)(CCC(=O)C1CC(C2CCC2)C1)C1CC1	2056686148	VTFRADCKMCQJNO-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](CCC1(C)CC1)[C@@H]1C(C)=CCC[C@@H]1C	2059174072	VBVJYZZAKRIRMW-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](O)c1cc2cc(C)ccc2o1	2059220901	GJGDIVMLDIPLTM-XGACYXMMSA-N	244.334	4.521	0	10	BJAE	
CN[C@@H](CCC1CCC1)C1=CC[C@@H](C(C)C)CC1	2061089023	QEHUPUXPLNBBSZ-WBVHZDCISA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)[C@@H]2CCC[C@@H](C)C2)CC1	2061118501	HNCAVDBILXTUJH-SRABZTEZSA-N	249.442	4.523	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC[C@]23CCC[C@H]2C3)CC1	2061604739	BHUDSAIGBAQXAJ-JKQORVJESA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C[C@@]12CCC[C@H]1C2	2061616510	JXINTRNANTXECP-BBWFWOEESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](CC2CC(=C3CCC3)C2)[C@H](C)C1	2061696571	RKTMDRNEBPXQBA-HWWQOWPSSA-N	246.394	4.518	0	10	BJAE	
C/C=C/CCCN[C@@H](CCCC)c1ccccc1	2062371369	CWKZALAMFWRKRA-RCFWFJCLSA-N	245.410	4.864	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)C[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063487920	SODVXMVHFPOPFF-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CCN[C@@H]1C[C@H](C2CCCCC2)CC2(CCC2)C1	2063637960	OQTRFOXKOKZCLJ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1C[C@@H](N)CC2(CCC2)C1	2063640574	LNBXUYIFQVEPHV-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@@](C)(C(=O)C[C@@H]2CC23CCC3)C1(C)C	2069191265	XFKUFXFCHDJPHW-IOASZLSFSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@@H](NC)C2(CC3CC3)CCC2)CCC1	2069512455	BDRRPWBKUOUHSA-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CCC1CC1)C1(CC2CCC2)CC1	2069563375	FVISNCJRXAXRNO-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccc([C@H](C)NCC[C@@H]2C[C@H]2C)cc1	2071481558	YCKUUWCOZZCBIA-JKIFEVAISA-N	245.410	4.507	0	10	BJAE	
C[C@H]1CC[C@H](C[C@H](N)C[C@@H]2CCC23CCC3)CC1	2072794479	USFSLZSRIJLLJQ-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](CNCC[C@@H]2CC=CCC2)CC1	2072795696	HLHIHQABVBEVFY-BRWVUGGUSA-N	249.442	4.539	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2CC(=O)CC3(CCC3)C2)CC1	2072880546	XTGWACOKJDZABX-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCCC1(C[C@@H](O)c2cccc(C3CC3)c2)CC1	2074618259	DLIUKXDVAKQSLQ-MRXNPFEDSA-N	244.378	4.568	0	10	BJAE	
CC[C@@H](C1CCCC1)N(C)[C@@H]1C=CCCCCC1	2074808751	GNJNOCUFNVGXQD-SJORKVTESA-N	249.442	4.776	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCCC2)CCC[C@@H](C)C1	2075366255	WKKVDSZVRGVWMV-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
C[C@H](Nc1ccccc1C1CC1)C1CCCCC1	2077262593	WJSDEVOUQDAGQZ-ZDUSSCGKSA-N	243.394	4.945	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@H](NCC)C1=CC[C@H](CC)CC1	2079444171	SUXNAELUZAKYLI-PQEBFOHHSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(CC(=O)[C@@H]2C[C@H]2C2CCCC2)CCC1	2079488139	TYBOVPNXWMSOGT-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CC1([C@@H](N)C[C@H]2C[C@@H]2C2CCCCCC2)CCC1	2079817481	DRGBEBJTNGCTSN-OAGGEKHMSA-N	249.442	4.501	0	10	BJAE	
CN(C1CCCCC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2081135507	CPVMAYPJUVRIDO-BHYGNILZSA-N	249.442	4.610	0	10	BJAE	
CCCC(C)(C)NCC1CC2(C1)CC1(CCC1)C2	2083613267	KXZWNQPVMORWBT-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCCCCc1ccc([C@@H](O)C(C)C)s1	2210511001	BUFUKQNEOBOSKD-AWEZNQCLSA-N	240.412	4.560	0	10	BJAE	
CC[C@H](C)[C@@H](C)Nc1cc(C)c(Cl)cc1F	2210736964	LHRDFYULXWFCPD-WCBMZHEXSA-N	243.753	4.634	0	10	BJAE	
CC1(C)CC[C@H]1[C@H](O)CCCCCCC1CC1	2213575355	FGRHQPWLFNNPKJ-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C1CCC1)[C@@H](O)CCCCCCC1CC1	2213583994	YGTBXWHPNWESIP-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
C[C@@](N)(CCCCC1CC1)CC1CCCCC1	2214565693	OSRSFMJIDYHHDP-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CC1(C)CC[C@@H](O)[C@H](CCCCC2CC2)CC1	2214569093	MJZWXWKPFPDUPL-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@](C)([C@H](N)CC(C)(C)C(C)C)CC1	2215811673	DMWGHCZZCNRIPY-ZBFHGGJFSA-N	237.431	4.523	0	10	BJAE	
CC=CCCCN1CCCC12CCC(C)(C)CC2	2218014561	AYZCNTDVMSXZLT-UHFFFAOYSA-N	249.442	4.778	0	10	BJAE	
C1CCC(CCN[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1	2218333305	QLLHAJBBVRAGRR-BJWYYQGGSA-N	249.442	4.515	0	10	BJAE	
NC[C@@H]1C[C@H](CCCCCCC2CC2)C12CCC2	2218723855	DQJIGYOUMNLBRS-HOTGVXAUSA-N	249.442	4.502	0	10	BJAE	
C[C@@H]1C[C@H](CCC2CC(F)C2)c2ccccc2N1	2220653975	NXBDWVJCHDRFNG-ZIHBUVQPSA-N	247.357	4.503	0	10	BJAE	
C[C@H]1CNC[C@H](C)C1=CCCCCCCC1CC1	2223108684	FRUXFEWIDDTQTR-GJZGRUSLSA-N	249.442	4.539	0	10	BJAE	
N[C@@]1(CCCCCCCC2CC2)CC[C@H]2C[C@@H]1C2	2223114467	TYOVTCZMUXORSQ-BBWFWOEESA-N	249.442	4.645	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)[C@@]12CCC[C@H]1C2	2223116323	FFDKWGFNAPQSHK-GVDBMIGSSA-N	249.442	4.645	0	10	BJAE	
CC[C@H](CCC(C)C)Nc1c(C)cc(O)cc1C	2223345278	IQPWYCAIZWENCB-CQSZACIVSA-N	249.398	4.636	0	10	BJAE	
CC(C)CCC(=O)Cc1ccc(C2CCC2)cc1	2223634604	MRFIHHIZEYYWDX-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCC(CC)C[C@H](O)CC[C@H]1CCC[C@H](C)C1	2246683885	IQFUVLLGZZSUOU-NUEKZKHPSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC1(CO)CCCCC1	2247111941	IICVRKBHVDFQIW-CABCVRRESA-N	238.415	4.536	0	10	BJAE	
CCCCCC[C@H](CCCC[C@@H]1C[C@@H]1C)NC	2247174006	UYIDYDQIJNLUOC-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC1(C)C)C(C)(CC)CC	2247441470	OTPGOXBYTUSTFY-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC(C)(C)C(=O)CC[C@@H]1CCCC12CC2	2247590051	ZLOTZYXQLGVOQO-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CC=CCCCC(=O)c1ccc(CCC)cc1	2248168143	MHLWFLSJDWXPGP-UHFFFAOYSA-N	230.351	4.568	0	10	BJAE	
CCC[C@H](CC)[C@H](CCCC1CCC1)NCC	2250362867	XGUVXXRUXVGWBR-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](CC)CNc1ccc(F)c(CC)c1	2250381424	OBEZTUQOWCWGJO-GFCCVEGCSA-N	237.362	4.626	0	10	BJAE	
CC(C)CCC[C@@H](C)CC[C@@](C)(CO)C(C)C	2250487991	HYBVBMHBDAABBN-CVEARBPZSA-N	242.447	4.884	0	10	BJAE	
CC(C)CCC[C@@H](C)CCC(C)(C)C[C@H](C)N	2250513238	FGYCXNUDQNANGZ-CABCVRRESA-N	241.463	4.993	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@](O)(CCC2CCC2)C1	2251681285	KFRZFQBDQAGLMO-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](CCC(C)C)c1ccc2ccsc2c1	2253066924	CWNWBKZEMGCUDL-AWEZNQCLSA-N	247.407	4.598	0	10	BJAE	
CCN[C@H](C[C@H]1CCCCC12CC2)CC1(C)CC1	2253808123	DFCFOFAHVSNODR-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@@H](N)C[C@H]2CCCCC23CC3)CC1	2253815456	LIPQNYVWOXBLLU-FJBKBRRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@]1(N)CC[C@H]1CCCCC12CC2	2253823978	PLCUHQNQCHZYNT-PBHICJAKSA-N	249.442	4.645	0	10	BJAE	
CCNCC1(CC[C@H]2CCCCC23CC3)CCC1	2253858006	VDNFJMIOPNSCBL-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
C[C@H]1C[C@H]1CCCCNCC(C)(C)C1=CCCC1	2254505465	MXVOABXTNDFQJH-LSDHHAIUSA-N	249.442	4.539	0	10	BJAE	
CCN(CCCC[C@@H]1C[C@@H]1C)c1ccccc1C	2254579304	CYLHUQRVBMGEBU-JKSUJKDBSA-N	245.410	4.648	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@]1(N)CCC12CCCCC2	2254593140	HPODMYDEPPTUMC-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(N(C)CCCC[C@@H]2C[C@H]2C)c(C)c1	2254604982	AUVOPIHVJNTTRB-GDBMZVCRSA-N	245.410	4.566	0	10	BJAE	
CN[C@H](C[C@H]1CCC12CCC2)C1(C)CCCCC1	2254835303	BIMFZLUWWXGLES-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc(NC[C@H]2CCC23CCC3)c1	2254971808	ZFBHJLXQGXWHJI-OAHLLOKOSA-N	243.394	4.802	0	10	BJAE	
CC(C)CC1([C@H](N)CC[C@@H]2CCCC23CC3)CC1	2255331857	OFCAFFLANBRSOD-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1NCCCC[C@H]1C[C@H]1C	2256112160	YAJWUKKNQZGDAW-OCCSQVGLSA-N	249.373	4.626	0	10	BJAE	
CCCc1ccc(C(=O)CCC[C@H]2C[C@@H]2C)cc1	2256231004	MZGQVVZQBRRUNZ-BBRMVZONSA-N	244.378	4.648	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)[C@H]1CC12CCCC2	2257282506	KIDIOLFUCLTUOJ-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccc(NC2C[C@H]3C=C[C@H](C2)C3)cc1	2257936312	AVBQNBYPADZHQG-KBPBESRZSA-N	241.378	4.577	0	10	BJAE	
Cc1cc(N[C@@H](C)C2CC3(CC3)C2)cc(C)c1C	2258235701	ZASBYGGPWFWIQU-AWEZNQCLSA-N	243.394	4.602	0	10	BJAE	
CC(C)CCCCNc1cc(C2CC2)ccc1F	2259124882	NVUFPIIOSQHBNP-UHFFFAOYSA-N	249.373	4.941	0	10	BJAE	
O=C(CCC1=CCCCC1)[C@@]12CCCC[C@@H]1CC2	2260527725	NYHHURYTVSUADI-NVXWUHKLSA-N	246.394	4.807	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)C[C@]12CCC[C@H]1CC2	2260620046	MYVGVBKTQWKYGJ-DRRXZNNHSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)C[C@]12CCCC[C@H]1CC2	2260675007	XBIYIHAQAOBZIJ-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@H](C)[C@H]1C[C@@H]1C	2300466676	SQHAUMDYTKUJIY-GUTXKFCHSA-N	231.383	4.575	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CCC[C@@H]1CC1(C)C	2300506072	UJWLAIDAPPZHSH-GDBMZVCRSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@H](CN)C1CCCCCC1	2300682340	XYJQBUYMGQNXHR-MRXNPFEDSA-N	239.447	4.748	0	10	BJAE	
CCC(CC)CC[C@H](N)[C@H]1CC12CCCCC2	2300685134	BHENVLYBFLXNRJ-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H](CCC(CC)CC)[C@H](C)C(C)C	2300687770	GESWVAZBACRPOR-ZBFHGGJFSA-N	241.463	4.863	0	10	BJAE	
CCC(C)=CC[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C	2300872390	PHPYUGSKCNLVBC-IJEWVQPXSA-N	238.415	4.556	0	10	BJAE	
CC1(C)CC[C@H]1[C@](C)(N)CC1CCCCCC1	2301140224	NEEXUAHEZNOQTR-GDBMZVCRSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@](C)(N)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301143292	SICWYFXBFPUJFD-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CC(C)CN(C1CCCC1)[C@H](C)[C@@H](C)C(C)C	2301966746	FBKZFTNRKGUFMC-LSDHHAIUSA-N	239.447	4.568	0	10	BJAE	
C[C@@H](CNCCCC1=CCCCC1)C(C)(C)C	2302315447	JJFUBYWXRAKBSG-AWEZNQCLSA-N	237.431	4.539	0	10	BJAE	
CCCC1(CC(=O)CCCCC2CC2)CCC1	2302573977	JYJBXHOYEMUHOX-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)CC2CCCC2)C1	2302743492	SOLOPYWTUXVAQQ-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
Cc1ccc(N[C@@H]2CCCC[C@@H]3C[C@H]32)c(Cl)c1	2302835919	IOGWYGLJBIFTLC-YRGRVCCFSA-N	249.785	4.639	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC(C)(C)C1)C(CC)CC	2302903339	YTAXDEGZUDFTBG-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC1=C(C)C[C@@H](CNC(C)(C)CC(C)C)CC1	2303593486	XKLVVTZYPGEKBL-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)CCCC(C)C)CC1	2303603812	WWUCIMSEYNOIFP-HOTGVXAUSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](N)CC[C@@H]1CCC(C)(C)C1	2304418959	VUNCSJHHXJHDTH-KFWWJZLASA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CC[C@H]1Nc1cccc(C(C)C)c1F	2307571152	ORZKKALGGOTMMP-DGCLKSJQSA-N	235.346	4.550	0	10	BJAE	
C[C@@H]1C[C@@H]1c1csc([C@@H]2CCCCC2(C)C)n1	2307685227	YACVRVZNVCMPJU-WOPDTQHZSA-N	249.423	4.950	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CC[C@@]23CCC[C@@H]2C3)C1	2310387847	QFAQDCPNZGBSDT-QBPKDAKJSA-N	249.442	4.502	0	10	BJAE	
CC1([C@@H](N)C[C@@]23CCC[C@@H]2CC3)CCCCCC1	2313347363	WLXNHHLKIVAJTP-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@H](N)C[C@@]12CCC[C@@H]1CC2	2313353373	MYVGVBKTQWKYGJ-UTSKFRMZSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]([C@H](C)CC1CCC1)C1(C)CC=CC1	2313579753	FHQVFCBTWWSGAM-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC(=CC=C1CC2(C1)CC(N)C2)CCCC(C)C	2316557355	NFWQKKIQUDUGOU-UHFFFAOYSA-N	247.426	4.587	0	10	BJAE	
CC(=CCC(=O)[C@H]1CC12CCC2)CCCC(C)C	2316562738	KQLQATGQHMAZFU-OAHLLOKOSA-N	248.410	4.908	0	10	BJAE	
CCCCC[C@@]1(CNCC)C[C@H]2C=C[C@H]1CCC2	2316654030	QRXMFGAZWUSGAD-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)[C@H]1C=CCCC1	2316874995	URKZUBYEQWOTDZ-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
Cc1cc2cc(F)ccc2n1C[C@H](C)C(C)(C)C	2317535883	XKRSBRPQRFVJOQ-NSHDSACASA-N	247.357	4.771	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C[C@H]2CCCC[C@@H]2N)CC1	2318951897	MJYRUWAFXXSBGX-VQHPVUNQSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@](C)(F)c2cccc(N)c2)C1	2319114095	QFMKPLDBZBXFBD-MLGOLLRUSA-N	249.373	4.670	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@]2(N)CCCC[C@@H]3C[C@@H]32)C1	2319244069	RVCSJMRQEOEOBG-PNBKFKSVSA-N	249.442	4.501	0	10	BJAE	
CCN[C@H](CC=C(C)C)CC[C@@H]1CC[C@H]1C1CC1	2319726307	ITVYWUATEIXXED-ZACQAIPSSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@H](CC[C@@H]2CC[C@@H]2C2CC2)C(=O)C1	2319731700	WFBVQMRNKUSIKV-QLFBSQMISA-N	248.410	4.598	0	10	BJAE	
Cc1cccc(C)c1NCC[C@@H]1CC[C@@H]1C1CC1	2319747530	DPOITDGBSNXVDC-JKSUJKDBSA-N	243.394	4.542	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@@H]1CC[C@H]1C(C)(C)C	2320215236	JNTCAKJMAFBVDA-OAGGEKHMSA-N	249.442	4.537	0	10	BJAE	
CCc1cc(F)cc(N[C@H]2CCC[C@H](CC)C2)c1	2321078238	CPUDBAMTLHFCTN-WFASDCNBSA-N	249.373	4.769	0	10	BJAE	
CCC[C@H](Nc1cc(F)cc(CC)c1)C1CCC1	2321083295	QFIQEJVVQIDVJT-INIZCTEOSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1	2321607641	HIONKLHIRACGHK-GBJTYRQASA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@H](N)C2CC(C)(C)C2)c1	2327680852	MQWJUBFUJTXFCJ-INIZCTEOSA-N	245.410	4.554	0	10	BJAE	
Cc1cccc(C)c1OCc1ccccc1Cl	5548868	CYICASRENHUFGL-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@H]1Nc1ccccc1	20566395	NDBXJOIZNNNALU-HUUCEWRRSA-N	231.383	4.703	0	10	BJAE	
C[C@@H](Nc1ccccc1F)c1ccc(Cl)cc1	21060689	DMMHAIXPOIVRNS-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
C1CCC([C@@H]2CCCC[C@@H]2NC2CCCC2)CC1	34994951	QLTAZAPUVKVHTH-IRXDYDNUSA-N	249.442	4.658	0	10	BJAE	
Cc1cc(C)c2nccc(Nc3ccccc3)c2c1	41054939	KDBXONWBYGTVMY-UHFFFAOYSA-N	248.329	4.595	0	10	BJAE	
Cc1cc(C(=O)C2CCCCCC2)c(C)s1	53713836	WLJNJUYLGCIJRM-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCc1ccc([C@@H](CC)NC[C@@H](C)C(C)C)cc1	81044917	SJAZHQNLSARWDN-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CC(C)CCC[C@H](C)N[C@@H]1C[C@@H](C)CC[C@H]1C	85086752	CPLHRPYPBCFUOY-XUWVNRHRSA-N	239.447	4.616	0	10	BJAE	
CCCC[C@@H](CC)COc1ccc(CC)cc1	85150770	SJICPYCUGSXANO-OAHLLOKOSA-N	234.383	4.844	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCC[C@@H](C)CC1	86879164	XABZSWMPMWFPIK-UKRRQHHQSA-N	231.383	4.630	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@@H]1CCC[C@H](C(C)C)CC1	86945171	IPSFTFHRJKYLRY-YHUYYLMFSA-N	239.447	4.616	0	10	BJAE	
CCC1(C(=O)c2ccc(Cl)s2)CCCC1	87315776	TWPZOPBXCSHHNN-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
CC[C@H](C)c1ccc(CCC(C)(C)CCN)cc1	87729290	VLRJHOWLICWDCJ-AWEZNQCLSA-N	247.426	4.508	0	10	BJAE	
CCCC1CCC([C@H](C[C@H](C)CC)NC)CC1	87963319	FHGIGIHTWZOJPG-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@@H]1Nc1ccc2c(c1)CCC2	94273924	ZNAIDJYXCGUHFA-INIZCTEOSA-N	243.394	4.556	0	10	BJAE	
C/C=C\[C@H](C)Cc1ccc(C(C)(C)C)cc1	107537963	APMXRGGJOCDWKG-FWWRYZNZSA-N	216.368	4.739	0	10	BJAE	
CC(C)[C@@H]1CC[C@H](C)C[C@@]1(N)CCC(C)(C)C	109700778	CQXNGMBIRGCJHP-DZKIICNBSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@H](CC)C[C@H](N)c1cccc(C)c1	109719281	FELRTBUERRGMNT-ZBFHGGJFSA-N	233.399	4.601	0	10	BJAE	
CC(C)(C)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1	109751777	LZMKXLHGERIFRU-IOASZLSFSA-N	243.394	4.585	0	10	BJAE	
CCC[C@H](CC)N[C@H]1CCCCc2ccccc21	109944876	VUXZNHMMCQTZRX-RDJZCZTQSA-N	245.410	4.622	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N	110446066	WFNXSDYSHJHOEX-KFWWJZLASA-N	239.447	4.747	0	10	BJAE	
C1CCCCCC2(CCCCC1)CCNCC2	113071548	YFCSSYLSGXXBOV-UHFFFAOYSA-N	237.431	4.661	0	10	BJAE	
CCCCCC[C@@](C)(CNC(C)C)C(C)C	159451985	CILIGJWMMXWUHF-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1CC(C(=O)CC2=CCCCC2)C[C@@H](C)C1	161032566	WWMYFQNQDFEHKX-STQMWFEESA-N	234.383	4.518	0	10	BJAE	
CCCC(CCC)C(=O)Cc1cc(C)cc(C)c1	164185645	GGOHVLVBJHPAKL-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CCCN[C@@H]([C@@H](CC)c1ccccc1)C(C)(C)C	164676293	OYJNHUNSUIUZFQ-HOTGVXAUSA-N	247.426	4.595	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)[C@@H]1CCC[C@H](C)C1	169077513	CNPRTAPEQAEVNC-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCCC[C@H]1C(C)C	214418060	RPDGOXNIBRELEH-DOTOQJQBSA-N	245.410	4.876	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@@H]1CCCCC1(C)C	226804910	AWNZWDFFWXKRAL-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1	229189123	IIPFFXFKYLFGJR-KCQAQPDRSA-N	244.378	4.504	0	10	BJAE	
CCCCCC(C)(C)CN[C@@H](C)CC1CCC1	229699448	NETSUSVCJOVLLU-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)c1ccc2c(c1)[C@H](CC1CCC1)CN2	232511920	LMRJNZORMORMLD-CYBMUJFWSA-N	243.394	4.683	0	10	BJAE	
CCCCCC[C@@H](O)C1=CCCCCCC1	232935664	MCRRRFUADMMYCZ-OAHLLOKOSA-N	224.388	4.598	0	10	BJAE	
CCCN[C@H](c1ccccc1CC)[C@H](C)CCC	233136480	JCZZLFBYWWDHNR-PBHICJAKSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](CC)Nc1ccccc1C(C)C	233349292	ZMMABGUQIXHODE-ZDUSSCGKSA-N	219.372	4.801	0	10	BJAE	
C[C@H]1C[C@H](CCC(C)(C)C)c2ccccc2N1	235723099	IAQWWTMEBHLJNH-STQMWFEESA-N	231.383	4.801	0	10	BJAE	
CCCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O	250797681	BKZMEICOPWJNTE-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](C)N[C@@H]1CCC(C)(C)C[C@H]1C	250832906	SFXUVZBPJHMTTJ-QLFBSQMISA-N	239.447	4.760	0	10	BJAE	
CC(C)c1c(Cl)cnc2c(Cl)cccc12	258205889	IYLJODMCMOXRQX-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CC(C)(C)C1=C(C#N)CCc2c(Cl)cccc21	260596277	MTGZHYCJCXXMBP-UHFFFAOYSA-N	245.753	4.609	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)CCC(C)(C)C	300969264	ZQLXFTSYOMQXKE-CYBMUJFWSA-N	226.404	4.988	0	10	BJAE	
CCCC1(CNCC2CCCCCCC2)CC1	302252774	CFYNBIGEXACOCE-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCCC[C@@H](CC)CN[C@@H]1/C=C/CCCCC1	302418120	LJNJORBGOJVPGV-IEWAYXNBSA-N	237.431	4.681	0	10	BJAE	
CCc1ccc(C(=O)CCCC(C)(C)C)cc1	304154564	RQXYQCWAJQPQKV-UHFFFAOYSA-N	232.367	4.648	0	10	BJAE	
CSc1ccc(NC(C(C)C)C(C)C)cc1	304530436	LVHWWTXOVAWFKG-UHFFFAOYSA-N	237.412	4.501	0	10	BJAE	
CC(C)CNC[C@@H](C)CCCC1CCCCC1	305954752	NPMORHIIBDJHRD-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)[C@@H](O)c1ccc(C2CCC2)cc1	305968286	PKVWYFJDHSOWAC-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CCCC[C@](CC)(CO)C[C@@H]1CCC[C@@H](C)C1	310473916	CDWXATFIIPWRSV-OAGGEKHMSA-N	240.431	4.782	0	10	BJAE	
C1=C(CN[C@H]2CCCC23CCCCC3)CCCC1	312992474	BTXQPYXCTPASGG-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
C1=C(CCN[C@@H]2CCCC23CCCCC3)CCC1	312997326	UEBIMQZYOQAVEN-MRXNPFEDSA-N	247.426	4.579	0	10	BJAE	
CCCCC[C@@]1(CNCC(C)C)CCC[C@@H]1C	318028703	LTQYFMQCWRHCOF-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CC[C@](CC=C(C)C)(CNC(C)C)C1	318134815	XRCKDVGORMWLEO-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC)CC[C@H](C)[C@@H](C)CC	320012606	VNOPNNMEXZWPEA-SOUVJXGZSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCC[C@@]1(O)CCC[C@H](C)C1	383118364	BFWXFFJJPWOAEC-LSDHHAIUSA-N	226.404	4.534	0	10	BJAE	
CN[C@@H]1CCCCC[C@@H]1CCCCCC(C)C	383397765	QTNOMGINNUMCKP-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(C)c([C@@H](N)CCCCCC(C)C)c1	383418015	YXJDYSMVAPTYMY-KRWDZBQOSA-N	247.426	4.910	0	10	BJAE	
CCC1(CC2(N)CCC(C(C)C)CC2)CCC1	383747006	YXWIBPLHQXAUON-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCC[C@@H](NC)c1ccc2ccccc2c1C	384749349	RYHAFOCVEGYXCB-QGZVFWFLSA-N	241.378	4.599	0	10	BJAE	
C[C@H]1CCC[C@H](C(=O)CCC2=CCCCC2)C1	384862058	OOGQKHPZOBSZKJ-ZFWWWQNUSA-N	234.383	4.662	0	10	BJAE	
CC(C)C[C@H]1C[C@H]1Nc1ccc2ccccc2c1	385424388	BZZHYFUIFPZWSZ-DOTOQJQBSA-N	239.362	4.686	0	10	BJAE	
CCCCC[C@@H](NC)c1ccc2sccc2c1	386348842	UJFYPZJRLBPVGV-CQSZACIVSA-N	247.407	4.742	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccsc1Cl	387230249	MYCYPPJLMPLBKW-YWVKMMECSA-N	243.803	4.638	0	10	BJAE	
CC(C)C[C@@H]1C[C@@H]1C(=O)CCC1=CCCCC1	388209652	OCBVPDGKCXZSBI-CABCVRRESA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](CCCC(C)C)C(C)(C)C(C)(C)C	393835207	NOLMFNWYWNMLQP-CQSZACIVSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CC[C@H](NCC(CC)(CC)CC)[C@H]1C	395215348	JWUDVPJBNHYSFF-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@H]1C(=O)c1ccc(C(C)(C)CC)cc1	395588536	ABYZOLGNLNIVEU-SWLSCSKDSA-N	244.378	4.603	0	10	BJAE	
CCc1cc(C(F)F)cc2scc(S)c12	396255209	ULISGDGKIPUTLE-UHFFFAOYSA-N	244.331	4.690	0	10	BJAE	
CCN[C@H](CC1CCCCC1)[C@@H](C)C(C)(C)C	399123510	PMVGHPABLAEMQS-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@H](C)C(C)(C)C	399165451	JYPWWCUAECYDGD-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CC(C)C1CCC([C@H](N)C[C@@H]2CC=CCC2)CC1	402126060	DFWYEIFQSPCIHU-RDHHWEPZSA-N	249.442	4.523	0	10	BJAE	
CCNC[C@]1(C[C@@H]2CC=CCC2)CC[C@H](CC)C1	402290601	YGXSXQOECNKCMD-GVDBMIGSSA-N	249.442	4.539	0	10	BJAE	
CCc1ccccc1C(=O)CCC(C)(C)C1CC1	405812380	MCWVSMIMKVDSKY-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CCCC1(CNc2ccsc2Cl)CCC1	687270838	RRTQWYGGYJGBHF-UHFFFAOYSA-N	243.803	4.784	0	10	BJAE	
CC(C)=CCC1(CN)CC(C)(C)CC(C)(C)C1	688349722	XWYKQRUPAIMWOV-UHFFFAOYSA-N	237.431	4.524	0	10	BJAE	
CCC1(CNc2cccc(C3CC3)c2)CCC1	690107618	AIPZKWZXMWAORM-UHFFFAOYSA-N	229.367	4.556	0	10	BJAE	
NC1(C/C=C\c2ccccc2)CCCCCCC1	690321336	CVIDCQKKNNRNSG-XFXZXTDPSA-N	243.394	4.532	0	10	BJAE	
C[C@@H](CC1CCCCC1)N[C@H](C)CC1CCC1	694617409	HQVMQALITAJTAC-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)[C@H]2CCCC3(CC3)C2)C1	695916912	MENJHPBISNMWLA-ILXRZTDVSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)CCNc1cccc(SC)c1	696748508	CJHPKUSXMRKUHW-UHFFFAOYSA-N	237.412	4.647	0	10	BJAE	
CCC1(COc2cccc(Cl)c2C)CCC1	702649595	MCDDYZPFKYKTJV-UHFFFAOYSA-N	238.758	4.608	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](O)[C@H](C)CC(C)(C)C)C1	704613641	PLHNCPVFBRRJHU-KBXIAJHMSA-N	240.431	4.636	0	10	BJAE	
CC[C@H](c1ccccc1)[C@H](CCC=C(C)C)NC	704863721	HLTPPDWLGYTWCB-SJORKVTESA-N	245.410	4.515	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@]1(N)C1CCCCCC1	704955232	BWLNFELGTNVICQ-JKSUJKDBSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CCCC23CC3)n1	706289880	PXHHWCOFYXYKGB-QWRGUYRKSA-N	235.396	4.704	0	10	BJAE	
CC1(C)CCC(C[C@]2(N)CC[C@H]3CCC[C@H]32)CC1	707876839	JIQKWOKSIAMALN-BFYDXBDKSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1cccc([C@H](N)[C@H](C)CC(C)(C)C)c1	708265096	UVKQQKRHKFECQR-CZUORRHYSA-N	247.426	4.882	0	10	BJAE	
Cc1ccc(N[C@H](C)[C@@]23CCCC[C@@H]2C3)c(C)c1	709109607	JKVYIXWIAIVIEL-INMHGKMJSA-N	243.394	4.684	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H](C)[C@@]12CCCC[C@H]1C2	709155044	RUMSFRHRSCHFEG-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CN[C@@H]1CCCC[C@@H](C[C@@H](C)CC(C)(C)C)C1	709182475	CBEPYHSMPFGRGY-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C=C/C=C\CC[C@@H]1C[C@H](CCC)CC[C@H]1CNC	713710913	PAMIFNWIWPIOMD-ZHOIPMOUSA-N	249.442	4.561	0	10	BJAE	
C=C/C=C/CC[C@@H](N)c1cccc(C(C)(C)C)c1	713712515	VLLOJECPKDNZLM-FYCOFBDGSA-N	243.394	4.506	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)C1CCCCCC1	713744045	ICXCCSKBKOFVFV-OSJSJHBBSA-N	249.442	4.847	0	10	BJAE	
CC(C)=C(C)CC[C@@H](C)[C@H](C)CNC(C)(C)C	718491899	GREAYFAWWYLJNR-HUUCEWRRSA-N	239.447	4.783	0	10	BJAE	
CCCC[C@](CC)(CO)C1C[C@H](C)C[C@@H](C)C1	719372301	OYHLNVCJPJSDJU-IIAWOOMASA-N	240.431	4.638	0	10	BJAE	
CC1(C)CC(Cn2ccc3ccc(Cl)cc32)C1	723547190	GUXPLKZTZAXPGV-UHFFFAOYSA-N	247.769	4.731	0	10	BJAE	
CC(C)CCCCNC[C@@H]1CCCC(C)(C)C1	1200671976	KYUYQKUCXNJCKE-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C)C(=O)Cc1ccc(C2CCCC2)cc1	1249918416	UACQAWDNRVKJRH-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCCCN(CC1=CCCC1)C1CCCCC1	1645888286	ZRFHSQDHXFOUFJ-UHFFFAOYSA-N	235.415	4.532	0	10	BJAE	
C1CCCC(NC[C@@H]2C[C@@H]2C2CCCC2)CCC1	1653266105	JFZWRDJHGLDGCF-DOTOQJQBSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCC[C@](C)(N)C[C@H](C)C(C)(C)C	1900595431	YRDSPZWRZZHBKY-ZFWWWQNUSA-N	227.436	4.602	0	10	BJAE	
CC[C@H](C)[C@@H](N)CC=C(C)CCCC(C)C	1900900757	OBGXVWIGUBWAKS-GJZGRUSLSA-N	225.420	4.523	0	10	BJAE	
Fc1c(Cl)ccc(Cl)c1C1CC=CC1	1903465136	CLWIPQIYYRFHFA-UHFFFAOYSA-N	231.097	4.566	0	10	BJAE	
CCCCCC[C@H](C[C@@H](CC)CCC)NC	1905436059	WOZKGDKHZDQRAP-LSDHHAIUSA-N	227.436	4.761	0	10	BJAE	
CCC=CC[C@@H](C)c1ccc(SC)cc1	1911798704	XKTYQNSRJSVJSA-GFCCVEGCSA-N	220.381	4.868	0	10	BJAE	
C=CC=CCCc1ccc2ccccc2c1C	1911865353	LHYSZIUHYZJSGE-UHFFFAOYSA-N	222.331	4.823	0	10	BJAE	
CC(C)C[C@@H](C)[C@H](O)CCC=Cc1ccccc1	1911959088	DYYAYTJRESXGHN-NVXWUHKLSA-N	246.394	4.523	0	10	BJAE	
ClC=CCNc1ccccc1-c1ccccc1	1912109193	DXSZCUOTEQNWHU-UHFFFAOYSA-N	243.737	4.518	0	10	BJAE	
Cc1c(F)cccc1NC1CC2(CCCCC2)C1	1912711062	PUZSVTAOUUAICH-UHFFFAOYSA-N	247.357	4.659	0	10	BJAE	
CC(C)c1csc([C@H]2CCCC23CCC3)n1	1921622570	WUURJIQAESBMKE-LLVKDONJSA-N	235.396	4.704	0	10	BJAE	
CCCc1cccc(C(=O)[C@@H](C)C2CCCC2)c1	1924140695	BAKHAKGNHPIMDM-ZDUSSCGKSA-N	244.378	4.648	0	10	BJAE	
Cc1ccc(Cl)c(C(=O)C[C@@H]2C=CCCC2)c1	1925537584	FWVSXZJSAFBIMD-GFCCVEGCSA-N	248.753	4.578	0	10	BJAE	
CNC[C@@H]1CCCCC[C@H]1C[C@H]1C=CCCCC1	1925890204	DMEMRIFAXPQVPN-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1CCCC(F)(F)C1	1926137928	IUIRWLRBAULPQX-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)C[C@@H](N)c1ccc(C2CCC2)cc1	1926384908	UJMDKPHEORHNGQ-QGZVFWFLSA-N	245.410	4.780	0	10	BJAE	
CCN[C@H](CC(C)C)[C@H](C)C(C(C)C)C(C)C	1940254272	VWWWLEJILBVKBJ-LSDHHAIUSA-N	241.463	4.575	0	10	BJAE	
CCCc1ccc(C(=O)[C@H](CC)C(C)C)cc1	1941262891	KFRUKZIRLMCCOI-OAHLLOKOSA-N	232.367	4.504	0	10	BJAE	
CC1([C@H](O)CCCC2CCC2)CCCCCC1	1941470638	SQCSCVQGRRGTKF-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CC[C@H]([C@H](N)CCCCCC2CC2)C1	1941586881	NMIQBDQEBFAKRR-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](O)[C@H]1CCCCC1(C)C	1942653634	SJDJRQQTJNKMJM-ZNMIVQPWSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)C(C)(C)C1CCCCC1	1944639120	BNUQWOGAFMXQPT-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCCC1(F)F	1947306706	UYTIVJPEALKOFJ-QWHCGFSZSA-N	247.373	4.513	0	10	BJAE	
C[C@H]1CCC[C@@](N)(C2=CCCCCCC2)CC1	1948952104	SIOQYROKTCRLAH-HOCLYGCPSA-N	235.415	4.565	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CC(C)(C)CC2(CC2)C1	1949090421	ZPVSYOGIHMENDS-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C[C@@H](O)CC2CCCC2)C1	1949871240	RUWGDVOCNQOMTD-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCCCC(C)(C)CN[C@H](CC)CC1CC1	1950099692	HQXAQIUULWRZQJ-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCC1(C[C@H](O)[C@@H]2CCC[C@H](C)CC2)CCC1	1950911245	MYMCDFDOOGKQQQ-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCCCCC1(CN)CC2(CC(C)(C)C2)C1	1950952066	MOJUZEYCUGAPQR-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CCC1(CC)CC(N[C@@H](C2CCCC2)C2CC2)C1	1972935960	ATVUSRHCCNYDMB-INIZCTEOSA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@@H]1CCCCCC[C@@H]1O	1980333746	HKPIJMHNNZGUBP-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)NC1CCC(C)(CC)CC1	1981064328	XQUHXUARWIXDLC-WLYUNCDWSA-N	225.420	4.514	0	10	BJAE	
CCC(CC)[C@H](N)C1(C)CCCCCCC1	1981415246	BPOUONKRKRQFIK-AWEZNQCLSA-N	225.420	4.501	0	10	BJAE	
C/C=C/CCCCC[C@@H](NCC)C(C)(C)C	1984632134	JJDMDJMVPSNXDB-IZPAUZPXSA-N	225.420	4.537	0	10	BJAE	
CC=CCCC[C@](C)(CCC)CNCCC	1984632577	NONUBFROPYFSDD-HNNXBMFYSA-N	225.420	4.539	0	10	BJAE	
CCC[C@H]1CC[C@H](CCCC(=O)CC)CC1	1989839198	OIWPAQRCPADNEC-HDJSIYSDSA-N	224.388	4.742	0	10	BJAE	
CCC(C)(C)CCN(C)CCC(C)(C)C1CC1	1995660374	GYHWSUVBWMKZQS-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CCC(C)(C)C[C@](C)(N)C1CCC(C)(C)CC1	1996594951	RBWUXFVEBMQYQS-INIZCTEOSA-N	239.447	4.747	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CCC=CCCC1)C1CC1	1999981359	MZLCHOQLSBDZLF-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
C[C@@H]1CC[C@H](C(=O)C[C@@H]2CCC=CCCC2)C1	1999984157	VDXJBFWRJKVOMQ-KFWWJZLASA-N	234.383	4.518	0	10	BJAE	
O=C1CCCCC[C@H]1C[C@@H]1CCC=CCCC1	1999984300	WVXSLBQUFFNGGB-CABCVRRESA-N	234.383	4.662	0	10	BJAE	
CC(C)CC[C@](C)(N)C[C@@H]1CCC=CCCC1	1999986395	UAKLPBGSGKZFIY-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CCCCCC[C@@H](NCC)C1(C(C)C)CCC1	2000373245	QGTCVRHRHJMAKE-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](CC)(CC=C(C)C)CNC1CC1	2000500646	WRXONQBILWBCNG-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@](CC)(CN)C[C@@H]1CC12CCCC2	2001216571	QIFNBYKVYKTVPJ-CABCVRRESA-N	237.431	4.502	0	10	BJAE	
CCCC1CCC([C@H](C)[C@H](O)CC(C)C)CC1	2002924552	JHWGCLYEXYXEPJ-SLTXQBBLSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC([C@H](C)NCC(C)(C)CC)CC1	2002925757	NOUWRUQNPMSXHF-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](C[C@H](C)CC(C)C)CC1(C)CCCC1	2003179320	NBOFNJMVEBOFNU-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@H](CC(C)C)C(C)C	2004229002	FAZVLNOXRCYPBN-CVEARBPZSA-N	239.447	4.639	0	10	BJAE	
CCC1(CC)CCC(N)([C@@H]2CCC2(C)C)CC1	2004346818	NYNDUPRLDWQLOS-CYBMUJFWSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@H]1CCCCC12CCC2	2005595045	KSRNZEJGCOBTRA-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1C[C@H](CCCCCC(C)C)C[C@H](N)C1	2006633153	XSJDPSZKMLFLKQ-HRCADAONSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)[C@H]1CCC[C@@H]1C	2006758770	LYFKTURURVDKKS-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC=CCCCN(C)C1CCC(C)(CC)CC1	2009574584	UKGHDXAJKVNLKE-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CCCCC1CC(O)([C@H]2CCCC[C@H]2CC)C1	2009713554	BTERZFQXQKWXEW-FYRZTWFESA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C1=CC[C@H](CC)CC1)C(CC)CC	2010719101	UAZXTIZTHILLFW-BBRMVZONSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)C1=CC[C@H](CC)CC1	2010747793	MDJTZWTYOYVWFZ-IMJJTQAJSA-N	237.431	4.523	0	10	BJAE	
C=C=CCC[C@H](NCC)[C@@H](CCC)CC(C)C	2010995969	VICMYTVOIIATAL-HOTGVXAUSA-N	237.431	4.548	0	10	BJAE	
C[C@H](CC(=O)C1CC(=C2CCC2)C1)C(C)(C)C	2011092667	ZZQJXVHCZOGMHG-LLVKDONJSA-N	234.383	4.518	0	10	BJAE	
CCC[C@@H](C)C[C@@](CC)(CNC(C)C)C(C)C	2012414334	XHVWGHDMEATRHH-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CCCC1(CC2(CN)CCC(C)CC2)CCC1	2015643719	FUQPJVVWDUXCKA-UHFFFAOYSA-N	237.431	4.502	0	10	BJAE	
CC[C@](O)(CC1CCCCC1)C[C@]1(C)C[C@@H]1C	2016311041	BZEGSEVXJDJGLQ-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)C1([C@H](N)CC2CCCCC2)CCC1	2017132365	CQYROYOKDPGMKC-CQSZACIVSA-N	237.431	4.501	0	10	BJAE	
CCC1CCC(C[C@](C)(O)CC(C)(C)C)CC1	2017649512	WPUGXQONFILRAT-XUJLQICISA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(C[C@@](N)(CC)C(C)(C)C)CC1	2017729270	UXZXBQZIKUCIFP-XUJLQICISA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H](CCC)C1CCC1	2018127546	IJMWDNZKVSSLAV-CVEARBPZSA-N	239.447	4.904	0	10	BJAE	
CCC(CC)C[C@@H]1CCNC2(CCCCC2)C1	2018644826	GCGGOYXGXSNTKX-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](CC(=O)CC1(CCF)CC1)C(C)(C)C	2018942326	ULAXFOTUXGDKPJ-LBPRGKRZSA-N	242.378	4.548	0	10	BJAE	
CC[C@H]1CC[C@H](CN(C)[C@H](C)CC(C)C)CC1	2019295575	NCYXDOIOTZTHSR-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)N1CCCC2(CCCCC2)CC1	2019305313	HMBBYOKLXODGBG-UHFFFAOYSA-N	237.431	4.611	0	10	BJAE	
CC[C@H](Nc1ccccc1C1CCC1)C(C)C	2021026674	AXMCOZBZEXDRJO-HNNXBMFYSA-N	231.383	4.801	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2022558935	AIVZWNNSQDNEMR-AEGPPILISA-N	236.399	4.598	0	10	BJAE	
CCC[C@H]1C[C@@H]1CC(=O)C1CCC(C)(C)CC1	2022560514	PAJXOSHTKHCLJC-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC(F)(F)CCCCC1(CO)CCCCCC1	2023299178	IKXHFDJAMJIWLU-UHFFFAOYSA-N	248.357	4.535	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H]1CC[C@H](C)CC1	2023336635	QTBHCVNXFREDMU-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@H](C[C@]2(C)CCC[C@]2(C)O)C1	2024116156	GZSLCKNPMOOHTH-BPUTZDHNSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CC(c2nc(C3CCC3)cs2)C[C@@H](C)C1	2026545311	WYJRIYJWGCJIQB-QWRGUYRKSA-N	249.423	4.950	0	10	BJAE	
C[C@@H](C(=O)c1ccccc1C1(C)CC1)C(C)(C)C	2028574938	CDSSOMQMLGEFSW-LBPRGKRZSA-N	244.378	4.603	0	10	BJAE	
CCC1(CC(=O)[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)CCC1	2029601344	VDERPWBIQKXJEG-KCQAQPDRSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C1(N)CC(C2CCCC2)C1	2033782330	IPYBGZUFYJPZSX-AKBUMOGYSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC([C@H](N)C[C@@H]2C=CCC2)CC(C)(C)C1	2035601092	RHHDLOBDRNUUID-UKRRQHHQSA-N	249.442	4.523	0	10	BJAE	
CN([C@H]1CCC2(CCCC2)C1)[C@@H]1CCC(C)(C)C1	2037671203	BWDXRMWSHOSSFC-CABCVRRESA-N	249.442	4.610	0	10	BJAE	
CCN[C@H](CC1CCCC1)CC1CC2(CCC2)C1	2037972878	RLVZJANCIQUETL-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](CC2CC3(CCC3)C2)C1	2038077600	AKTDOYVAXJBLBC-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@H]2CCC3(CC3)C2)CC1	2038581066	YJCUYZUPVAMZAR-PMPSAXMXSA-N	249.442	4.658	0	10	BJAE	
C[C@H](CC1CCCCC1)N[C@H]1C[C@@H]2CCC[C@@H]2C1	2038614613	OAJNNLMWBRAYBN-MXASKKJJSA-N	249.442	4.514	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1c(C)cccc1F	2039446228	FGQMYUYCQYXUOJ-OCCSQVGLSA-N	247.357	4.538	0	10	BJAE	
CC1(C)C[C@H]1CCCN[C@H]1CCCC2(CCC2)C1	2041296625	OFHPSVDTQFJDTH-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC(=O)[C@H](C[C@H]2CCC=CCCC2)[C@@H](C)C1	2045309314	FQELKJGRRBMCCA-YHUYYLMFSA-N	248.410	4.764	0	10	BJAE	
C[C@@H]1CC[C@](N)(C[C@H]2CCC=CCCC2)C[C@H]1C	2045316874	HPVYXMLBMLVLTD-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CCC1CCC1)C[C@@H]1CCC=CCCC1	2045322402	DZIPCWAZQOQWIT-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCC[C@H]([C@@]2(N)CCC3(CCCC3)C2)C1	2045384337	HZSZFUVISYBPCT-WMLDXEAASA-N	249.442	4.645	0	10	BJAE	
CCc1ccc(N(C)CCC(C)(C)C2CC2)cc1	2046576160	YQSMKPLNBLIALI-UHFFFAOYSA-N	245.410	4.512	0	10	BJAE	
N[C@@H](CCC1=CCCCC1)C[C@@H]1CCC12CCC2	2047944149	WMDADFVPCHXPHT-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC1(C[C@@H](N)[C@H]2[C@H]3CCCCC[C@H]32)CCCCC1	2048366231	OPWVIDKYJULNDO-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCCCCC1CCC(C(=O)c2ccco2)CC1	2049634085	CGRZXLIFDGSRSH-UHFFFAOYSA-N	248.366	4.849	0	10	BJAE	
CN[C@H]([C@@H]1CCCC(C)(C)C1)[C@]1(C)C=CCCC1	2049999800	GZUSKNZDLXOQMU-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](NCC2(C3CCC3)CC2)CC1	2051914825	NYBAFHUDLWFAQL-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@H]1CCCCC12CC2	2053355086	HNIKQFNKNHLXAH-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
CCc1cccc2ccn([C@H]3CCCC[C@@H]3F)c12	2055271373	SIZCTIJGWCQQRI-GJZGRUSLSA-N	245.341	4.657	0	10	BJAE	
CC1CCC(C)(CNC[C@@]2(C)CC=CCC2)CC1	2056537505	LPDRUKYMLNPKIR-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CC1CC(CC)C1)[C@@H]1C=CCCC1	2056643217	QQZXCDJCWUVRHM-BACDZXNISA-N	249.442	4.537	0	10	BJAE	
CCC1CCC([C@](C)(N)C2=CC[C@@H](C)CC2)CC1	2060914378	RHDZPCJCVGWMEU-RKHAHWSXSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@H](N)[C@H]2CCC(C)(C)C2)CC1	2061091460	JJLCADWJDYAHOD-KBMXLJTQSA-N	249.442	4.523	0	10	BJAE	
CC(C)(C)[C@@H]1CC=C([C@@H](N)[C@@]2(C)CC2(C)C)CC1	2061100383	WIYLKWSSKSVWGZ-CKEIUWERSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H]1CCC[C@@H]1C1=CC[C@@H](C(C)(C)C)CC1	2061149549	DPNSSZFXEJFGQM-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C([C@@]2(O)CCCCCC23CC3)CC1	2062030413	DSKXXQULTZYCGR-PBHICJAKSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H](N(C)[C@@H]2CCCCCC23CC3)C1	2062194780	XXCCMNLFUURLKE-BZUAXINKSA-N	249.442	4.610	0	10	BJAE	
Cc1ccc(NC[C@@H]2C[C@@H]3CCC[C@@H]3C2)cc1C	2063472117	RAFNZFUJAUIPSA-MUJYYYPQSA-N	243.394	4.542	0	10	BJAE	
CCCCC[C@@H](NCCC)C1CC2(C1)CC21CC1	2063996614	KTTJOALBHHNSLU-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CC[C@H]([C@@H](N)CC23CCC(CC2)CC3)CC1	2065303814	VJLJTJOJGOWXJT-LQWAEYHHSA-N	249.442	4.501	0	10	BJAE	
CC[C@@]1(CC23CCC(CC2)CC3)CCCCCN1	2065307065	CJZVZXWKYDPOBO-JCYILVPMSA-N	249.442	4.659	0	10	BJAE	
CC[C@@H](N[C@H](C)C1(C)CCCC1)c1occc1C	2067563018	SPARIGNPUACORR-ZIAGYGMSSA-N	249.398	4.598	0	10	BJAE	
CCC[C@](N)(C[C@H]1C[C@@H]2CC[C@@H]2C1)C1CCCC1	2068766227	CPZVPYINVAFFLA-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
CCC1(CN2CC[C@]23CCCC(C)(C)C3)CCC1	2069328079	MXJRBCZXKMJTIX-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CC(C)=CCC[C@@](C)(N)C[C@H]1CC2CCC1CC2	2070308008	JOZPVBAFXQRCRB-BHUNQDJPSA-N	249.442	4.667	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)C[C@H]1C[C@@H]1CC	2071510744	KLZJVORAAUSOSG-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CC[C@H]3CCC[C@@H]32)CCC1	2071942060	ZYFPOKZWDDVGFY-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H](C(C)=C(C)C)[C@@H](C)c1ccccc1	2072416592	HJMIDBLBYJTVIM-RDJZCZTQSA-N	245.410	4.515	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@H]2CC23CCCC3)C1	2072608925	SHCDKPSRJYKUJX-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)c2cccc(C)c2)CC1	2072800735	HLWHERZXMIOTEG-ZOBUZTSGSA-N	245.410	4.601	0	10	BJAE	
CCCC1CCC(CN[C@@H]2C=C(C)CCC2)CC1	2072803976	NOOGRERUORXZEU-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
Cc1cccc(F)c1C(=O)CC1(C(C)C)CCC1	2075977624	XISMGTZXTZLEQE-UHFFFAOYSA-N	248.341	4.533	0	10	BJAE	
CN[C@@H]1[C@@H](C[C@@H]2C=CCCCC2)CCCC1(C)C	2076402049	QQCJQQWTVDDDPA-BZUAXINKSA-N	249.442	4.537	0	10	BJAE	
CC(C)=C[C@](C)(N)C[C@@H]1C[C@H]1C1CCCCCC1	2079820364	QNLJRICZEIOEJR-ULQDDVLXSA-N	249.442	4.667	0	10	BJAE	
C[C@H](C[C@@H]1CCCC2(CC2)C1)[C@H]1CC[C@H](N)CC1	2082135286	BJNWHKJHGXDAEF-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]([C@@H](O)c1cccc(C(C)(C)C)c1)C(C)(C)C	2083541007	GECIPHKVGZGCTF-SWLSCSKDSA-N	248.410	4.700	0	10	BJAE	
CCC(C)(CC)NCC1CC2(C1)CC1(CCC1)C2	2083613159	JPFMCZUNUGRSEW-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCC[C@H]1CC12CC2	2086409003	NULADMQKXARTOL-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@](C)(N)c1sc(C)cc1C	2210557958	CNDHALXJDSNEPF-AWEZNQCLSA-N	239.428	4.509	0	10	BJAE	
C[C@H]1CCC[C@@]1(CN)CCCCCCC1CC1	2213572611	YICVZWKOPOMWMQ-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
FC1(F)CC[C@H](CCC=Cc2ccccc2)C1	2213824202	CMFRPKGWAZHUOX-AWEZNQCLSA-N	236.305	4.915	0	10	BJAE	
Cc1cc(Cl)cc(C/C=C/c2ccccc2)c1	2213824978	NIZFYTQXIWPMQX-VMPITWQZSA-N	242.749	4.904	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CCCCC1CC1	2214552187	KNUBGYDIFQIJLC-GJZGRUSLSA-N	236.399	4.742	0	10	BJAE	
C[C@H](N[C@@H]1CCC[C@@H](C(C)(C)C)C1)C(C)(C)C	2216257870	NMPIDWIDTMIICS-BFHYXJOUSA-N	239.447	4.616	0	10	BJAE	
c1ccc(NCCCCCCCC2CC2)cc1	2216889193	LKFMGYPMKLIZML-UHFFFAOYSA-N	231.383	4.849	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)C[C@@H](C)C(C)(C)C	2217146688	BZEGXBWTGHELPE-KFWWJZLASA-N	241.463	4.863	0	10	BJAE	
CC1(C)CCC2(CCCN2CC=C2CCC2)CC1	2218018846	JIVRTRWXFAGEJU-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
Cc1ccc(N(C)CCCCCCC2CC2)cc1	2218729806	AQYRWPPPUDJPJI-UHFFFAOYSA-N	245.410	4.792	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@H]1C)[C@]1(C)C=CCCC1	2220539566	KMSUDSQYLGARFJ-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
C[C@H](CC1(C)CC2(CCC2)C1)c1ccc(N)cc1	2221032575	IVVYYRCIDQZARJ-CYBMUJFWSA-N	243.394	4.733	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CC2(C)CC3(CCC3)C2)C1	2221070996	HHQYAPHVOYIRKG-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
CC1=CC[C@H](NC2CCCCCCCCC2)CC1	2221658137	CQOPRIZAJJWYBE-KRWDZBQOSA-N	249.442	4.968	0	10	BJAE	
N[C@@H](CCCCCCCC1CC1)[C@@H]1C[C@@H]2C[C@@H]2C1	2223132423	JXKNVJTVNICONR-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](O)c1ccc(C2CCC2)cc1	2223692620	YHAHFVNRKZBSCO-GDZNZVCISA-N	246.394	4.670	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@H]1CCC1(C)C	2243196612	CISVJBSLXWARCM-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](CC[C@@H]2CCCC[C@H](N)C2)C1	2246731523	XZDCTYPTIBDCAS-WCVJEAGWSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCCC[C@H]1C[C@H]1C	2247167101	WNNHIKAZPSYWOJ-FZKCQIBNSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C[C@@H](O)C[C@@H]1CCC1(C)C)CC(C)(C)C	2247305746	DDDXYNGNPNHMJQ-HZSPNIEDSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC[C@@H]1C)[C@H](CC)CCC	2250367226	OQQZCKXZWMDSCO-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)[C@@H]1CCC2(CCCC2)C1	2250381765	AXICJKNGCYZFAS-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CC1CCCC1)CC1CC2(CCCC2)C1	2254115323	XOSCBEBOWAOQIT-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC(=O)C1(C)CC2(CCC2)C1	2254583276	JIHWZCCKTQZIHO-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1C[C@@H]1CCCC[C@@H](N)C1CCC2(CC1)CC2	2254607297	SQZNWHZILAPUIE-CWRNSKLLSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H]1CNc1ccccc1C1CCC1	2254980761	UREMVBDZMZAIIX-CQSZACIVSA-N	243.394	4.802	0	10	BJAE	
CCCc1ccc([C@H](N)CC2(CCC)CC2)cc1	2256294005	LHSTXYKCMVMIFG-MRXNPFEDSA-N	245.410	4.609	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@H](N)[C@@H]1CCC2(CC2)C1	2257238186	COZYCMAHZGNXOP-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccc(C2(C)CC2)cc1	2259477165	GUOZPNQQKYVTMA-CJNGLKHVSA-N	245.410	4.564	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)[C@]12CCCC[C@@H]1CC2	2260513345	TZQXEBAOJVZNSM-KEYYUXOJSA-N	248.410	4.742	0	10	BJAE	
C1CCCC(CNC[C@]23CCCC[C@@H]2CC3)CC1	2260546844	QCTHXXUWDCIJMM-IAGOWNOFSA-N	249.442	4.517	0	10	BJAE	
O=C(C[C@]12CCCC[C@H]1CC2)C1CCCCCC1	2260564814	IIONITOZMVEYKR-DOTOQJQBSA-N	248.410	4.886	0	10	BJAE	
CC1(C)CCC[C@](C)(NC[C@@]23CCC[C@H]2CC3)C1	2260584956	YHRZEAMLIALDJW-XIRDDKMYSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H]1C[C@H]1C1CC1	2297867814	OZPCSKIGARMEDC-XPKDYRNWSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](N)C[C@@]12CCC[C@@H]1C2	2297876716	REKMBHUNRZAKFT-FPCVCCKLSA-N	237.431	4.501	0	10	BJAE	
CCCC(CCC)[C@@H](NC)[C@H](C)CC1CCC1	2298850596	IPEBUUBITOYDNC-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC(C)(C)C)[C@H](C)CC1CC1	2298852087	MBSOHOGLIJSFFW-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC=C(C)CC)[C@H](C)C1CCCC1	2300872431	PNEDKCZXNMSUOM-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CO)CC=C(C)CCCC(C)C	2300931064	GOBYPMUUEBJJGL-UHFFFAOYSA-N	240.431	4.948	0	10	BJAE	
CCC(C)(C)C(=O)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301143948	YQOYTGIFSPPFBN-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CC(C)C[C@H]1C[C@@H]1C(=O)CC1CCCCCC1	2301143973	ZAOUJOPQMFTVCI-GJZGRUSLSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)N(C)CCCCCC1CC1	2301698629	RJMQIGKDMLTODR-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(N)[C@H](C)[C@@H](C)C(C)C	2301900476	SZGHWSLHCOOYEI-JJXSEGSLSA-N	239.447	4.602	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@@H](C)[C@@H](C)CC	2302575658	YTKGOLNMFOODHG-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCC[C@H]2C[C@H]21	2302850139	RXJINJVEHFTCRS-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1CCC(C)=C(C)C1	2303524628	SIWGLXJGTCEJCZ-HZPDHXFCSA-N	238.415	4.844	0	10	BJAE	
CC1=C(C)C[C@H](CCC[C@@H](N)C(C)(C)C)CC1	2303574947	FGLCQNDVMLKNOK-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CCCCC[C@](C)(O)CC[C@@H]1CCC(C)(C)C1	2304350898	CPCWRPRAJWTJKV-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)C1(C)CCCCC1	2307839447	YSQHBTZYMLNKTG-HOCLYGCPSA-N	240.431	4.924	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CO)CCCC12CCC2	2307873672	FVULWAMYALATJM-HOCLYGCPSA-N	238.415	4.536	0	10	BJAE	
CCC[C@H](CC)C[C@]1(CO)CCC[C@@H](C)CC1	2307877815	MUICMVONABBVRX-PMPSAXMXSA-N	240.431	4.782	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1[C@H]2CCCCC[C@H]12	2307907206	KJTPXWHCZLCOHA-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H](CCC[C@@H]2C[C@H]2C)Nc2ccccc21	2310427095	STHKAFCKYHYAMB-BARDWOONSA-N	243.394	4.801	0	10	BJAE	
CN[C@@H](CCC[C@@H]1C[C@@H]1C)[C@@]1(C)CC=C(C)CC1	2312521580	YPEUJJQYAFTLQC-YVSFHVDLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(C[C@@]23CCC[C@@H]2C3)C1	2312543783	GNOLNKKZMBSCAL-FSDCSDTHSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@H](N)C(CC2CC2)CC2CC2)CCCC1	2313583546	IYJVDJPNLMQSFY-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1NC[C@H]1CC12CCC2	2315878390	STXNJHXPCUXQRQ-OAHLLOKOSA-N	243.394	4.721	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1cc(C)c(C)cc1C	2316247820	IPRVQOSGUOZJRS-QGZVFWFLSA-N	248.410	4.862	0	10	BJAE	
CC(=CCN[C@H]1CCC[C@@H]2C[C@H]12)CCCC(C)C	2316487865	FWVAKEUXWKUBDM-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
C1CCCC(CC2(CNC3CCC3)CCC2)CC1	2316921668	FEKZBMYXFNYEQZ-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H](O)c1cccc(C2CC2)c1	2317839952	UQDAFJSTKGOVJA-AHIWAGSCSA-N	246.394	4.526	0	10	BJAE	
C[C@](N)(CCCC1=CCCCC1)C1CCCCC1	2318568775	NEEJTLNVTSUYRY-KRWDZBQOSA-N	249.442	4.955	0	10	BJAE	
C1=C(CCCN2CC[C@@H]2CC2CCC2)CCCC1	2318597617	MUMDTUJRRXFWEI-QGZVFWFLSA-N	247.426	4.532	0	10	BJAE	
NC1(CC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCC1	2318857835	JCJAAJJLJMRWTB-JYJNAYRXSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CC[C@H](CC(=O)C2CC(CC3CC3)C2)C1	2319295210	DXANWSUJPBUJOQ-WLYUNCDWSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCC[C@@H](C)[C@H]2C)CC1	2320326198	DAMGFIALSPQNQO-MWQQHZPXSA-N	249.442	4.667	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C[C@@H]2CC[C@@H](C)C2)c1	2320514624	BHEYXZYDDXKUIM-CPUCHLNUSA-N	246.394	4.670	0	10	BJAE	
CC(C)c1cccc([C@H](O)C[C@H](C)C2CCC2)c1	2320577446	DPUQLHXMTLOYQO-SUMWQHHRSA-N	246.394	4.670	0	10	BJAE	
CC(C)=C(C)CN(C)Cc1cccc(C(C)C)c1	2320655808	TYONIOIGCHODFG-UHFFFAOYSA-N	245.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)C(C2CC2)C2CC2)C1	2321636502	JGRBPDOBPHOYJS-LBPRGKRZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@](C)(N)c1ccc(C)c(C)c1	2328189418	IOYKFBBTPGSRIO-NVXWUHKLSA-N	247.426	4.694	0	10	BJAE	
CCC[C@@H](CC)CC1(CNC2CC2)CC2(CC2)C1	2328200906	CNIQZZMNUXBGGG-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1	21813042	LSRYAAWAMYNPIV-UAGQMJEPSA-N	245.410	4.868	0	10	BJAE	
Cc1cccc(C)c1Nc1ccc(Cl)cc1	34586660	ZKLRINZRQDJCJU-UHFFFAOYSA-N	231.726	4.700	0	10	BJAE	
CCCCc1ccc([C@@H](CC(C)(C)C)NC)cc1	35493115	VCDRPGJOJSNOOS-MRXNPFEDSA-N	247.426	4.726	0	10	BJAE	
CCC[C@H](C)N[C@H](c1ccccc1)C(C)(C)C	36994678	JQLLLLTWQBKVSW-DZGCQCFKSA-N	233.399	4.552	0	10	BJAE	
CCCc1ccc([C@H](NCC)[C@H](C)C(C)C)cc1	70123353	QZSKKGKKNNHOKL-RHSMWYFYSA-N	247.426	4.582	0	10	BJAE	
CCN[C@H](CCC(C)C)[C@@H]1CCC[C@@H](CC)C1	71156034	GKZDDKFCXYRDIL-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(F)cc1N[C@@H]1CCC[C@@H](C2CC2)C1	81624165	MNCLISXGMULYOR-UKRRQHHQSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@H](CC)COc1ccc(CC)cc1	85150771	SJICPYCUGSXANO-HNNXBMFYSA-N	234.383	4.844	0	10	BJAE	
CC[C@H](C)c1ccc(N[C@H]2CCC[C@@H]2C)cc1	86672666	DFVQCFGAJIUVBP-XEZPLFJOSA-N	231.383	4.801	0	10	BJAE	
CCC[C@@H]1CCC[C@@](N)(C(CC)CC)CC1	87169132	BDNZQMVNYASPKJ-HIFRSBDPSA-N	225.420	4.501	0	10	BJAE	
CC(/C=C\c1ccccc1)=C\c1ccccc1	105860151	MCXUZXVIQZNGSA-FSALDASDSA-N	220.315	4.803	0	10	BJAE	
Cc1ccc(C(C)C)cc1-c1cc(N)sc1C	105882759	DVDDJXXXDJSQCN-UHFFFAOYSA-N	245.391	4.738	0	10	BJAE	
CCCN[C@H]1CCCCc2ccc(C(C)C)cc21	110269351	IAXGXXOFGICSRI-KRWDZBQOSA-N	245.410	4.577	0	10	BJAE	
CCCC[C@@H](CC)[C@@H](CCCC(C)C)NC	133485051	BOJNLKCZLFZVGH-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](C)CC[C@H](CNCC)c1ccccc1	155721386	YLKOLNGJSVPZEP-NVXWUHKLSA-N	247.426	4.596	0	10	BJAE	
C/C=C/CCN[C@H](c1cccs1)C1CCCC1	161677954	GHLGNONXSVYHPI-FAAWYNLUSA-N	249.423	4.535	0	10	BJAE	
Cc1cccc([C@H](C)Nc2c(C)cccc2F)c1	224940129	DNBPXYGPZABQCF-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)[C@@H]1CCC[C@@H]1C	226906606	IYHXGTVESGHTKO-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCCC(C)C)c1c(C)cccc1C	233593268	BPGLNWWFZPPIEN-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)NCC1(CC)CCCC1	233825771	XEUIDSBXAPGKHN-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(N[C@H]2CC(C)(C)C[C@@H]2C)c1C	235547729	PZHPIAXWTUYLOR-WFASDCNBSA-N	231.383	4.540	0	10	BJAE	
CCC[C@H](CC[C@@H]1CCCC[C@H]1CC)NCC	251106355	FLTDIMLNRPXYEU-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CNc1cccc(Nc2ccccc2C(C)C)c1	259166254	GKKLOUGUKIMGOF-UHFFFAOYSA-N	240.350	4.595	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1n1ccc2ccccc21	301321512	LVHPJFJQQQDAFA-ZFWWWQNUSA-N	227.351	4.783	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)CCC1CCCC1	304461046	ZYWDGVFYQNGBHZ-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CCCN[C@H](CC)CC[C@H](C)C1CCCCC1	310501779	RHBMZDWVPXWOAU-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@]1(CNC2CC2)CC=CCC1	318983589	ZHSWLSYGLSYITA-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC(CCC2CC2)(CNC2CC2)CC1	319029901	IMCSOIRLKPLWLG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@]1(C(CC)CC)CC[C@H](CC)C1	319246764	XRXHFVUMZBKBIA-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CC(C)(C1CCC1)[C@@H](N)CCC1CCCCC1	322997955	SZDMNIHTTZGHIE-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@](C)(O)CC/C=C\c1ccccc1	324021466	NYOXHAPEUSWPKG-KMGMULKOSA-N	246.394	4.811	0	10	BJAE	
CCC[C@@H](N[C@H](C)c1ccc(C)c(C)c1)C1CC1	324115806	OVFUHYFHAHVSJK-RHSMWYFYSA-N	245.410	4.533	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H]2CCCC23CCCC3)[C@@H]1C	328306843	VVEACJNSCDXKEL-WCVJEAGWSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@H]1CC[C@H](CCCCCC(C)C)C1	383140746	FKUIVNOIBMXQMN-HOTGVXAUSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1[C@@H](CO)CCCCCC(C)C	383465652	BNSVGNPPPQGCOC-MRXNPFEDSA-N	248.410	4.677	0	10	BJAE	
CC1CCC(C[C@H](O)C2CCCCCC2)CC1	383922341	RCJCUMCBIDNSKR-XUJLQICISA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC(=O)[C@@H]1CC[C@@H](C)C1)C1CCCCC1	384095344	ZPBLDGNGVIUSSS-VNHYZAJKSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@H](NCC)[C@H]1CCCC[C@@H]1C	384521944	KFFBRLMMXSIBKT-JYJNAYRXSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC[C@@H]1C)c1cccc(C)c1	385112914	AWRXCHOHXZUOML-BHYGNILZSA-N	245.410	4.614	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@H]1N[C@H](C)CC(C)(C)C	385196275	QJDNQQZNSADWED-KFWWJZLASA-N	239.447	4.616	0	10	BJAE	
CC(C)NC[C@@H](C)[C@@H](C)c1ccccc1C(C)C	386320164	KSEWMKAUKZNXKV-HUUCEWRRSA-N	247.426	4.548	0	10	BJAE	
CCC(C)(C)CN[C@@H](c1ccccc1)C(C)(C)C	394643533	HBWCDSGJJZNMIV-HNNXBMFYSA-N	247.426	4.800	0	10	BJAE	
CCCCC[C@H](C[C@@H](C)C1CCC1)NCCC	398688296	FXAZWTTWKSYWPJ-GDBMZVCRSA-N	239.447	4.761	0	10	BJAE	
C1=CC[C@H](COc2cccc3ccccc23)CC1	402320030	KTZLWAJTPFOXPK-AWEZNQCLSA-N	238.330	4.575	0	10	BJAE	
CCCc1ccc([C@@H](O)C2(CCC)CCC2)cc1	686929207	QOUSSWOJZQSCTH-MRXNPFEDSA-N	246.394	4.643	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@H]1CC(C)=C[C@H](C)C1	696677302	IJNGXNBRVOXDHN-QEJZJMRPSA-N	238.415	4.556	0	10	BJAE	
CCN[C@@H]1[C@@H]2CCCCC[C@H]2C12CCCCCC2	701855459	CJJODEIUCQYKHE-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1C1(N)CCC(C2CCC2)CC1	704861859	REHPVSGMFMMXLH-PXZKZTPFSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](CNc1ccsc1Cl)CC(C)(C)C	709284384	WDDGMOHGHYZWQT-SECBINFHSA-N	245.819	4.886	0	10	BJAE	
C[C@H](CC(C)(C)C)Nc1cccc(C2CC2)c1	709670255	YXTXQCOXHRWDEL-GFCCVEGCSA-N	231.383	4.801	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(O)CC2CCCCC2)C1	709756654	PEPLGSBNCRRKBF-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)[C@H](C)CCC	710249632	WXBKFJZCAQOSGV-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C12CCC(CC1)CC2	710262590	LMIHIMGSRIEVMW-ILZRDFNYSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H](Nc1csc(C)c1)c1ccccc1F	710727129	CLBLIEXSYBOCFR-CQSZACIVSA-N	249.354	4.759	0	10	BJAE	
CC(C)=C(C)CC[C@H](C)[C@H](C)CNC(C)(C)C	718491900	GREAYFAWWYLJNR-LSDHHAIUSA-N	239.447	4.783	0	10	BJAE	
CC(C)=C(C)CC[C@]1(O)CCCC[C@@H]1C(C)C	718691844	NUABBRLXPUQGPZ-HZPDHXFCSA-N	238.415	4.700	0	10	BJAE	
CC1(C)CCC(C[C@@]2(N)CCC=CCCC2)CC1	718981138	XZKSTKWONOQVPG-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC2CC2)CCC=CCCC1	718995735	FATPFYGJMQEVHC-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@H]1Nc1ccc(C2CC2)cc1	821905825	HRFVQTDAWGPVAA-LRDDRELGSA-N	243.394	4.801	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1	1182387511	GLZNHAOMCJXQQN-CBBWQLFWSA-N	239.447	4.616	0	10	BJAE	
C1=C(CCSc2cccs2)CCCC1	1188635618	OGYJYZGWCOGBNT-UHFFFAOYSA-N	224.394	4.731	0	10	BJAE	
CCC(CC)Nc1ccc(-c2ccco2)cc1F	1205517137	HQXJLFBYELKTDS-UHFFFAOYSA-N	247.313	4.686	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)NCC1CCC=CCC1	1621535546	XVUBQXDGFHYRSC-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
c1cc2c(cc1SCC1CCCCC1)CCC2	1651730032	DHVLAMJUHMDFGH-UHFFFAOYSA-N	246.419	4.848	0	10	BJAE	
C=C/C=C/CCSCc1cc(C)ccc1C	1651810553	UQLCPKPMCYVTNY-AATRIKPKSA-N	232.392	4.669	0	10	BJAE	
CC(C)CC[C@H](C)N(C)c1ccc(Cl)cc1	1901167676	MTNLPXGZZSGTKT-LBPRGKRZSA-N	239.790	4.601	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)CCC(C)(C)C	1905389908	MNZLVDPVISVNHH-UKRRQHHQSA-N	228.420	4.780	0	10	BJAE	
CCCN[C@H](C[C@@H](CC)CCC)[C@H](C)CC	1905434684	LVTKEZXLSBUNOH-QLFBSQMISA-N	227.436	4.617	0	10	BJAE	
CCC(CC)(CC)CN(C)CCC[C@@H]1C[C@H]1C	1908545844	XPGWSEGQCOSVHI-HUUCEWRRSA-N	239.447	4.571	0	10	BJAE	
C[C@@H]1C[C@H]1CCC[C@H](O)C1(C)CCCCCC1	1908557414	YJJNIOIVAIBDRI-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C=C(CN)C2CCCCC2)C1	1911844315	CRPVFNYFIMXBLO-HUUCEWRRSA-N	249.442	4.668	0	10	BJAE	
C=CC=CCC[C@]1(CNCCC)CCCC[C@H]1C	1911846600	LGDBKTIDMPCXKV-IAGOWNOFSA-N	249.442	4.705	0	10	BJAE	
C=CC=CCCN[C@H](CC)c1ccc(Cl)cc1	1911886947	HKYVUYUFLBHBCL-OAHLLOKOSA-N	249.785	4.513	0	10	BJAE	
C=CC=CCC[C@@H](O)c1cccc(C(C)(C)C)c1	1912102461	CYFJBRBMZXRINN-MRXNPFEDSA-N	244.378	4.540	0	10	BJAE	
C[C@H]1C[C@@H](C2(N)CC3(CCCCC3)C2)CC[C@H]1C	1912729505	SWIONGXDHZJEAY-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1C[C@@H](C)C[C@H](N[C@H]2CCC3(CCCC3)C2)C1	1916439551	AHWQWZCVZJKLHH-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CC1(c2ccccc2NCC[C@H]2CC2(C)C)CC1	1921565692	WXVOBIZRSOJINA-ZDUSSCGKSA-N	243.394	4.586	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)[C@@H](C)C1CCCC1	1924107573	HIPLERZGGINITD-OFQRWUPVSA-N	239.447	4.747	0	10	BJAE	
CCCCCCC(=O)C[C@H]1C=CCCCC1	1925762697	FSNBQZSCQUELCG-AWEZNQCLSA-N	222.372	4.662	0	10	BJAE	
CNC[C@]1(C[C@@H]2C=CCCCC2)CCCC1(C)C	1925781528	UILXZZVRPDKDKJ-NVXWUHKLSA-N	249.442	4.539	0	10	BJAE	
CC(C)(C(=O)C[C@H]1C=CCCCC1)C1CCCC1	1925806079	BUHLAMCHLIRYBV-AWEZNQCLSA-N	248.410	4.908	0	10	BJAE	
Cc1ccc(CC[C@H]2C=CCCCC2)cc1C	1925833503	KOYUNSMSVFJWAJ-INIZCTEOSA-N	228.379	4.982	0	10	BJAE	
CCN[C@@H](C[C@H]1C=CCCCC1)c1ccsc1	1925934894	OMWILJLGTZYPCD-ZFWWWQNUSA-N	249.423	4.535	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)[C@@H](C)C(C)C	1940863611	MTUJAIHCWISQAJ-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@@H](O)CCC[C@@H]1CC1(C)C	1940881901	HSNHQFWWHXERSL-CABCVRRESA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CCCCCC2CC2)C1	1941584719	BJJJJPSYPGVRHL-UKRRQHHQSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C1(C)CC(C)(C)C1	1941988870	TUACKFHETLLUFP-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CC[C@](C)(CNC(C)(C)C)C[C@@H]1CCC[C@H]1C	1944836752	NBWPBIQCKUHDLR-YCPHGPKFSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]([C@H]1CCC(C)(C)C1)C(C)(CC)CC	1945596593	GTXDPRVRJNNGCM-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)C[C@@H]1CCC[C@@H](C)C1	1948325335	GIPSYZYMXZLBHA-QKPAOTATSA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](N)CCC(C)=C(C)C	1949043919	RVPORRNDARJHDV-BZUAXINKSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)C[C@H](N)[C@H]1CCC2(CCCC2)C1	1949551602	LJJAFTZLJMAMIZ-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC(C)(C)[C@H](O)C1	1949683452	SMLFDGMHUACZGV-HUUCEWRRSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@H](CCC)NC1C[C@H]2CCC[C@@H]2C1	1950295582	MTRAHUAHZRPNSL-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
C1=CCC2(CCCCC2)N(CCCCC2CC2)C1	1966511553	NFMWWKVEWCMSCC-UHFFFAOYSA-N	247.426	4.532	0	10	BJAE	
Cc1ccc(C(C)C)cc1NCC(C)(C)C	1968598548	ZKTXAUSVCPGZAF-UHFFFAOYSA-N	219.372	4.576	0	10	BJAE	
C[C@H](N[C@@H]1CC[C@H]2CCC[C@H]2C1)C1CCCCC1	1970664562	KKOLEVCKCQSENU-PQEBFOHHSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](C)N(C)CC1CCC(CC)CC1	1971406475	OTUIPUODRHCNGK-QQFBHYJXSA-N	239.447	4.713	0	10	BJAE	
CC(C)=CCNc1ccccc1SC(C)C	1975967439	SCZKSKSBYLBVQA-UHFFFAOYSA-N	235.396	4.565	0	10	BJAE	
C[C@H](C(=O)c1cc(C(F)F)cs1)C(C)(C)C	1977101212	LAFOZFNPEKTHCI-SSDOTTSWSA-N	246.322	4.551	0	10	BJAE	
CC(C)=CCCC[C@H](O)c1ccc(Cl)cc1	1980679671	BPAFFMSLUUOHII-AWEZNQCLSA-N	238.758	4.510	0	10	BJAE	
CC(C)=CCC[C@H]1CCCc2ccccc21	1980979245	BRDJOZYLBUNGRT-HNNXBMFYSA-N	214.352	4.853	0	10	BJAE	
Cc1c(CC2=CCCC2)sc2ccccc12	1987579470	ZMXHRMHRFNKXKG-UHFFFAOYSA-N	228.360	4.863	0	10	BJAE	
CC(C)c1ccc(-c2c[nH]ccc2=S)cc1	1989477727	ANUBDMQDTFMVPX-UHFFFAOYSA-N	229.348	4.535	0	10	BJAE	
CCC(CC)COc1cc(C)c(Cl)cc1C	1989926191	JQFPGPIMTLZWAW-UHFFFAOYSA-N	240.774	4.772	0	10	BJAE	
CCCC[C@@H](C)C(=O)CCCCC(F)(F)F	1993602994	ORAIWHUQQZVVII-SNVBAGLBSA-N	238.293	4.505	0	10	BJAE	
CCSc1ccccc1NC[C@H]1CC[C@@H](C)C1	1996209957	VKQDOJVVFJTXQP-OLZOCXBDSA-N	249.423	4.647	0	10	BJAE	
C[C@@H]1CC[C@H](Cn2ccc3ccc(Cl)cc32)C1	1996230634	IMOTUCRZRLPLBC-NEPJUHHUSA-N	247.769	4.731	0	10	BJAE	
C[C@H](Nc1ccccc1SC1CC1)C(C)(C)C	1996548058	IXPIWBILCWUEAL-NSHDSACASA-N	249.423	4.788	0	10	BJAE	
O=C1CCCC[C@@H](C[C@H]2CCC=CCCC2)C1	1999982844	FLBVQIZCNPGXGC-GJZGRUSLSA-N	234.383	4.662	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1C(=O)CCCC(C)(C)C	2000294222	PUAWZPDWPCUGEJ-ZFWWWQNUSA-N	236.399	4.764	0	10	BJAE	
CC(C)CCCC(=O)[C@H]1CCCCCC1(F)F	2000764628	NSBRLAGXGAJSDP-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@@H]1CC12CCCCC2	2001262530	AAMRDDILFPYERX-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@]1(C(=O)O)CCCC(C)(C)C1	2002973431	GNFBCLOAIPMRBT-HNNXBMFYSA-N	240.387	4.628	0	10	BJAE	
O=C1CCCCCC[C@@H]1[C@@H]1C=CCCCCC1	2003116880	LRUGWDRWRGDRAE-HUUCEWRRSA-N	234.383	4.662	0	10	BJAE	
CCN[C@@H]1CCCCCCC[C@H]1CCC(C)C	2003120068	XVNQCUBMAYHYOI-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC=C(C)C)CC[C@H]1CC1(C)C	2004232091	SDQLSRBIMNQVJD-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](C1CC=CC1)C(CCC)CCC	2005751980	CQLWELXJQAVAHO-INIZCTEOSA-N	237.431	4.537	0	10	BJAE	
CC1CCC(C)(C(=O)C[C@@H]2C=CCCC2)CC1	2007682461	ZUGLNBNZXRPQEC-NPCAHTBFSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CC=C1CCCCC1)C(C)(C)C	2007945087	IRFWBKXQXMPDSN-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C)CC[C@@H]1C[C@@H](C)CC	2009407830	PMYPLFMKKIYSPO-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H]1CCC(C)(C)CC[C@@H]1O	2009420689	QNNQQXCFJYEHSF-KBPBESRZSA-N	240.431	4.780	0	10	BJAE	
CC=CCCC[C@H](NCC)[C@H]1CC[C@@H](CC)C1	2009594898	HWGKKGKMGFLHOW-PMPSAXMXSA-N	237.431	4.537	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)C1=CC[C@H](CC)CC1	2010713500	DWDQYLUKWZGDGK-OFQRWUPVSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](NCC)C1=CC[C@@H](C(C)C)CC1	2010721552	ZYUQMFCIACMIBK-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1C[C@H]1CCCn1ccc2c(Cl)cccc21	2011565798	UDUUAYBCAMHKRT-NWDGAFQWSA-N	247.769	4.731	0	10	BJAE	
CCCN[C@@H](CC(C)C)[C@H](CC)CCC(C)C	2013271449	SGAGGNDBHKGPFK-CVEARBPZSA-N	241.463	4.863	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@](C)(O)C2(C)CCCC2)C1	2014325897	MZZCAPBFMTUZQY-IJEWVQPXSA-N	238.415	4.534	0	10	BJAE	
CC1([C@](C)(N)CCCCCC2CC2)CCCC1	2014338215	HQEJQVYNXLOCMH-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCC1(C[C@H](N)C(C)(C)C(C)(C)C)CCC1	2015645377	SVKXJDWRNWNBMJ-ZDUSSCGKSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@H](CC1(C(C)(C)C)CCC1)NC	2017140139	DEXRGPUJWZSZSS-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1(CC(C)C)CC1	2017489265	FTRHJVKIFREMGF-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)C2(C)CC(C)C2)CC1	2017772756	SOSNUVLNQMZIEP-GQFVKFBWSA-N	236.399	4.598	0	10	BJAE	
CCC1CCC(CC(=O)CCC2(C)CC2)CC1	2017774985	VYQHYLAPNVIXML-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)[C@@H]1CCC1(C)C	2018136952	QLPVUPIHECFDTH-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@@H](CC)NCC(C)(C)C1CCC1	2018142261	YQPAAGWBAZWUTO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](CC)N(C)CC1(CC)CCC1	2018182031	DGXIHZUEHAHQNF-HNNXBMFYSA-N	239.447	4.857	0	10	BJAE	
CCCC[C@@H](CC)CN1CCCC[C@H](CC)C1	2019188200	GYMPQUDZBMNDLR-CVEARBPZSA-N	239.447	4.715	0	10	BJAE	
CCC(CC)(CC)CN(C)C1CCC(C)CC1	2019315259	KWCBMUURFTXMLH-UHFFFAOYSA-N	239.447	4.713	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCC(C)(C)C1=O	2020396011	ISCJFTSEBMEKSR-CQSZACIVSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)C[C@H](NC)[C@H]1C[C@@H]1CCC	2022390661	KZOPNNAMXGMSOU-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CCCC(CCC)[C@H](O)C[C@@H]1C[C@@H]1C(C)(C)C	2022453781	IXILXMNUXSNLCX-SOUVJXGZSA-N	240.431	4.636	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@@H]2C=CCCC2)C1	2024101296	JPOXJMJXORWLHX-ZIAGYGMSSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)c1ccc(C)o1	2027312134	SAFMQXLQHKAJSG-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CCN[C@H](CC[C@H]1CC1(C)C)C[C@@H]1CC=CCC1	2027829254	AAYZNGXCEDWPLX-OWCLPIDISA-N	249.442	4.537	0	10	BJAE	
CCCCCC[C@H](O)c1ccccc1C1(C)CC1	2028554401	JOOFDRXVGCEOGL-INIZCTEOSA-N	246.394	4.742	0	10	BJAE	
CC[C@H](CC1CCCCC1)N[C@H]1C[C@@H]2CC[C@@H]2C1	2028988652	VCTMKTSBHXKGLT-YYIAUSFCSA-N	249.442	4.514	0	10	BJAE	
CCC1(CNC[C@]23CCCC[C@@H]2CCC3)CCC1	2031806201	WJRICECGNKHHQB-NVXWUHKLSA-N	249.442	4.517	0	10	BJAE	
CC(C)c1ccc(C(=O)C2CCC(F)CC2)cc1	2032101824	RRLSLPMSBHRGCT-UHFFFAOYSA-N	248.341	4.521	0	10	BJAE	
CCCCCc1ccc(NC[C@@H](C)C2CC2)cc1	2032147506	RNMOXESKZJRVGV-CQSZACIVSA-N	245.410	4.877	0	10	BJAE	
CC(C)(C)c1cccc(C(=O)[C@H]2CCC2(C)C)c1	2033572862	SHQQUJKGWDXFSY-CQSZACIVSA-N	244.378	4.603	0	10	BJAE	
Cc1cccc(F)c1N[C@@H]1CC[C@@H]2CCCC[C@H]21	2034261608	HJLQINHHYKQKHE-GZBFAFLISA-N	247.357	4.515	0	10	BJAE	
CCN[C@H](CCCC1(C)CC1)c1c(C)coc1C	2035531794	KYWKQZREMPXNTH-CQSZACIVSA-N	249.398	4.517	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCC1)C(C)(C)C1CCC1	2035577190	WXPZBOOLYSKYHM-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC[C@](N)(C[C@H](C)C(C)(C)C)c1cccc(C)c1	2037173350	GVMCCIOSGJRWBX-YOEHRIQHSA-N	247.426	4.631	0	10	BJAE	
CC(C)CC[C@H](C)[C@@H](N)c1ccccc1C1CC1	2037210153	RIZANNWKWWXYRP-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CCN[C@@H](CCC1CC1)[C@@H]1CCC2(CCCC2)C1	2037758333	OKFSWCIVHVVPTD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1[C@H](N)CCC[C@@H]1CC1(C)C	2039433345	BGJQXRNTLNPQND-JJXSEGSLSA-N	249.442	4.523	0	10	BJAE	
CC1=CCC[C@@H](C)[C@@H]1[C@H](N)CCC1CCCCC1	2039436496	PXRQNSQTWJMYQO-DJIMGWMZSA-N	249.442	4.667	0	10	BJAE	
CC(C)NC[C@@]1(C[C@H]2CC[C@@H](C)C2)C=CCCC1	2040182596	REVOZJKWWKIZRH-IKGGRYGDSA-N	249.442	4.537	0	10	BJAE	
C=CC=CCC[C@H](NC)[C@@H]1CCC[C@H](CC)CC1	2041378668	FRGRXIQLOSBLNR-BBWFWOEESA-N	249.442	4.703	0	10	BJAE	
Cc1ccc(C(=O)C2CC(C(C)(C)C)C2)c(C)c1	2043002782	ZVGODLYHHLLQAG-UHFFFAOYSA-N	244.378	4.558	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC[C@@H]1C=CCCCC1	2043187968	PTPGKZUFNDUJDJ-DOTOQJQBSA-N	247.426	4.601	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NC1CCC2(CC1)CC2	2043188094	QXCJMZSMOAWTBB-AWEZNQCLSA-N	247.426	4.578	0	10	BJAE	
CC(C)NC[C@@H]1CC[C@@H]1C[C@H]1CCC=CCCC1	2045328476	FOEMOTFZQAUCHS-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc(NC[C@H]2CCC=CCCC2)c1	2045330403	VUGGQQLUNULQIK-INIZCTEOSA-N	243.394	4.852	0	10	BJAE	
CCN[C@H]([C@H]1CCCC(C)(C)C1)C1(C)CC=CC1	2045392213	SLGJEIWAKTYYKX-LSDHHAIUSA-N	249.442	4.537	0	10	BJAE	
CC1CC(CC2(N)CCC3(CCCCC3)CC2)C1	2045669494	FFISKJYHNUROGF-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)C[C@H]1CC12CCCCC2	2047064347	DJJXSAQTBADXRX-QXSJWSMHSA-N	249.442	4.501	0	10	BJAE	
CC(C)C1CCC([C@](C)(N)C[C@@H]2C=CCC2)CC1	2049415649	RKYDLKZLOCCKTN-RDHHWEPZSA-N	249.442	4.523	0	10	BJAE	
Cc1cc(C)c2c3c([nH]c2c1)CCCCCCC3	2049675258	KMQZEVBTRDFYFH-UHFFFAOYSA-N	241.378	4.834	0	10	BJAE	
CN[C@@H](CCC1CCCCC1)[C@]1(C)C=CCCC1	2049996234	FPIYKHRVYDMFLS-DLBZAZTESA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC(=O)c2ccccc2F)C1	2050495597	VSIYXPWSTODZKP-OLZOCXBDSA-N	248.341	4.615	0	10	BJAE	
CC1(CN[C@@H]2CCC[C@H]3C[C@@H]32)CCCCCCC1	2052504050	BQTDNMUOPKAYDX-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC1CCC([C@@H](C)N[C@H]2CCCCC23CC3)CC1	2053334034	ZJLPZRHRKNJSTJ-KNIAUWFNSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@H]1C1(CNC2CCC2)CCCCC1	2055286394	PIRSQMQQVVIYEW-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C1(CNC2CCC2)CCCCC1	2055286396	PIRSQMQQVVIYEW-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C1CC(C2CCC2)C1	2057489820	ZBFOTXSCHFMMDK-ODZFXCKXSA-N	249.442	4.501	0	10	BJAE	
Fc1c(C[C@H]2C=CCCCC2)ccc2c1CCC2	2057858039	SPPVBKUBDORNSF-ZDUSSCGKSA-N	244.353	4.603	0	10	BJAE	
CCCCCC1CC(Nc2ccc(CF)cc2)C1	2059393121	AWHJJKUTQSYHEQ-UHFFFAOYSA-N	249.373	4.927	0	10	BJAE	
CC[C@@H]1CC=C([C@H](NC)[C@H]2CCCC2(C)C)CC1	2061085397	QSKFLYQSJCJIQN-BMFZPTHFSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC2(CC(NCCC3(C)CCCC3)C2)C1	2061132715	KKNSGFFFZDWBOY-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC=C([C@H](CC(C)(C)C2CC2)NC)CC1	2061148636	WMNRTFUUFDBPRO-BBRMVZONSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(C)(C(=O)CC[C@@]23CCC[C@@H]2C3)CC1	2061606922	OIOGZGPKHGWNSG-VVBDHPJYSA-N	248.410	4.742	0	10	BJAE	
N[C@H]1CCCCCC[C@H]1CC1CC(=C2CCC2)C1	2061738632	FHAMQGRLXHRGRE-RDJZCZTQSA-N	247.426	4.565	0	10	BJAE	
CC=CCCCN[C@H](C)c1ccc(CCC)cc1	2062371886	KDZNMWSNOXHWDR-OAHLLOKOSA-N	245.410	4.646	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC1(N)CC(C2CCCCC2)C1	2062650753	GIPDKNQRROKSPN-PMRDFSHISA-N	249.442	4.501	0	10	BJAE	
CCCCCC[C@@H](C)N[C@H]1CCCc2ccoc21	2062955417	DTOMAEUWNRZWCC-HIFRSBDPSA-N	249.398	4.606	0	10	BJAE	
CC(C)c1cccc([C@H]2CC(=O)CC(C)(C)C2)c1	2063717930	TZLPOPBKUOMOFT-HNNXBMFYSA-N	244.378	4.673	0	10	BJAE	
CC(C)[C@H]1CCC(=O)[C@H](CC23CCC(CC2)C3)C1	2065276787	HSLCFKXKILCPEZ-GWUWNPHMSA-N	248.410	4.598	0	10	BJAE	
Cc1cc([C@H](C)N[C@@H](C)C2(C)CCCC2)c(C)o1	2067508409	LOCRGRGDRIGTBE-JSGCOSHPSA-N	249.398	4.516	0	10	BJAE	
C[C@H](NC[C@H]1CCCC2(CC2)C1)C1(C)CCCC1	2067509290	QIKYAFAKJPQVCV-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1C[C@@H](C[C@@H]2CC23CCC3)c2ccccc2N1	2069171402	MPEQJKBKYJQMKK-HZSPNIEDSA-N	241.378	4.555	0	10	BJAE	
CNCC1(C[C@H]2CC23CCC3)CCCCCCC1	2069190836	UQQVFVPBADBRLV-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
CCCC1(CC(N)(C2CCC2)C2CCC2)CCC1	2069342342	NSUJNVDRTYTTGQ-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NCC1(C)CCCCCCC1)C1CC=CC1	2070814577	NCXANVVDVPQILA-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1C[C@]1(C)C[C@@]1(N)CCCCC12CCCCC2	2070960640	XQVQQIUVWUBVKM-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@]2(N)CCC=C2CC)CC1	2072877352	HCTIFBCWJUCTMC-BFYDXBDKSA-N	249.442	4.811	0	10	BJAE	
CC1([C@H](N)C[C@@]23CCCC[C@H]2C3)CCCCCC1	2074030798	VPNYNFQVBBWJNJ-UXLLHSPISA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@]1(N)C[C@]12CCCC[C@@H]1C2	2074034660	RXYHUZKAHLZURP-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
CCCC1(C[C@H](N)C2(C)CCC3(CC3)CC2)CC1	2074650050	ZSXZWXPOWKHZID-AWEZNQCLSA-N	249.442	4.645	0	10	BJAE	
CCC[C@@H]1CCCN([C@H](C)c2ccccc2)CC1	2074791755	XLGRMKLTLQMYQO-HZPDHXFCSA-N	245.410	4.650	0	10	BJAE	
CNCC1([C@@H]2C=CCCCC2)CCCCCCC1	2075366724	YQZZVDPUGRSBFR-MRXNPFEDSA-N	249.442	4.683	0	10	BJAE	
CCC[C@H]1C[C@H]1COc1cccc2ccccc12	2079811377	PFVFAMPQPXNADS-GJZGRUSLSA-N	240.346	4.655	0	10	BJAE	
CCCC[C@@H](C)CC[C@@H](O)c1ccc(C)c(C)c1	2086045731	YYVUSZXEQGPYMB-CXAGYDPISA-N	248.410	4.943	0	10	BJAE	
CCN[C@@H](C[C@H]1CC12CC2)CC1(C)CCCCC1	2086350895	NZBAINZLGLWQHZ-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)CCC(C)(C)C)CC1	2211855769	GRVULSNYPMFTDC-OAHLLOKOSA-N	222.372	4.518	0	10	BJAE	
CCCCCC1(CN[C@H](C)CC)CCCC1	2212597814	QPMHSRVVDOEEPX-CQSZACIVSA-N	225.420	4.515	0	10	BJAE	
Cc1csc([C@H](N)CC2CCC=CCC2)c1C	2213646202	YPEPQYUSHCJEQJ-CQSZACIVSA-N	249.423	4.501	0	10	BJAE	
Cc1ccn([C@H]2CCC[C@@H](C(C)(C)C)CC2)c1	2214625480	CRYKHFGDWRPPNI-CABCVRRESA-N	233.399	4.964	0	10	BJAE	
CCC[C@](C)(CC[C@@H]1C[C@@H]1CC)CNC(C)C	2215265922	MXTPYSQQNWYQGU-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC1(C)CC2(CCC2)C1	2215465897	LYSQHVZQXOQJEW-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)c2scc(C)c2C)CC1	2215807175	MYDQEVBDJQGRSG-OAHLLOKOSA-N	248.391	4.684	0	10	BJAE	
CC1(C)CCCCC[C@]1(O)CCCCC(F)F	2216470176	ZOQHMWKUZPOPGR-AWEZNQCLSA-N	248.357	4.533	0	10	BJAE	
C[C@H]1CC[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C(=O)C1	2218336637	XGKYRVGHQUQYOO-AALSBFMBSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CCCCCCC1CC1)[C@@H]1[C@H]2CCCC[C@H]21	2218729888	FHONAKCDGBOBHX-TWMKSMIVSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC2(CC2)N(CCCCCCC2CC2)C1	2218734696	HYEZKHFCOVTRIX-OAHLLOKOSA-N	249.442	4.611	0	10	BJAE	
O[C@@H](CCCCC1CC1)c1cccc(C2CC2)c1	2220026814	CABUCWZOCRHHMA-KRWDZBQOSA-N	244.378	4.568	0	10	BJAE	
CC(C)Cc1ccc(C(=O)C[C@H]2CC[C@H]2C)cc1	2220634707	UXUGSXTVYDIBNK-CZUORRHYSA-N	244.378	4.504	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](N)[C@]12CCCC[C@H]1CCC2	2220878399	REDDJYVDLUSVLT-XAJHFOFHSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(CC)c(NCC[C@@H]2C[C@@H]2CC)c1	2220923563	JXDLEKRWIMKCKP-JKSUJKDBSA-N	245.410	4.660	0	10	BJAE	
CC1=CC[C@@](C)(CN(C)C2CCCCCC2)CC1	2221602731	SDYQONPTUMYPIB-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
CC1=CC[C@@H](CN[C@@H]2C[C@H](C)CC(C)(C)C2)CC1	2221665881	GNJTYKVJDFKHHA-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CCCNC[C@]1(CC2CCCC2)CC=C(C)CC1	2221667094	RYMYADZDGNJXDY-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H](C)c1ccc(F)c(C2CCCCC2)c1	2221802752	QPYLKSFSCNKAOA-GFCCVEGCSA-N	249.373	4.544	0	10	BJAE	
Cc1cn(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1C	2222978337	AKHJIILTNWNEDU-IXDOHACOSA-N	245.410	4.711	0	10	BJAE	
CCC[C@H](C)C(=O)CC[C@@H]1CCC[C@H](C)C1	2242773857	YOVZMDNCUPZDSA-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
Cc1sc(C[C@@H]2C=CCCCC2)c(C)c1C	2242857315	SPFYRUKTZXNECZ-CQSZACIVSA-N	234.408	4.962	0	10	BJAE	
CCCCSCCCCCCCCCCO	2244424387	IPCKGHFOUXATQB-UHFFFAOYSA-N	246.460	4.633	0	10	BJAE	
CCC[C@@H](CC[C@@H]1CCCCC12CC2)NCC	2246628416	XZPZHGQEANGYSO-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1C[C@H]1CCCCC1(O)CCC(C)(C)CC1	2247116687	AWFROWKNFIIJDB-UONOGXRCSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC[C@H]1CCCC12CC2	2247641883	WFHQXSBVNQLKCA-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCCC1(CN)CCCCC1	2248844331	NECHYQUDYCALNQ-GJZGRUSLSA-N	237.431	4.502	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](C)(O)C1(C)CCC1	2248865435	JBRASWXCJJORQI-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](CN)C(C)(C)C	2250469218	MFXCTNZZAJLGIA-LSDHHAIUSA-N	241.463	4.850	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H]1CC[C@H](C)[C@H]1O	2250477836	BTOFXELSUQOILU-CAOSSQGBSA-N	240.431	4.636	0	10	BJAE	
Cc1scc(C(=O)[C@@]23CCCC[C@H]2CC3)c1C	2251108333	UBVCBNLOWZNCKA-SWLSCSKDSA-N	248.391	4.518	0	10	BJAE	
Cc1ccc(Cl)cc1NC[C@@]12CCC[C@H]1CC2	2251165512	DDQOWAVTDWCVFD-WFASDCNBSA-N	249.785	4.641	0	10	BJAE	
Cc1cccc2c1N[C@H](CCCC1(C)CC1)CC2	2253872388	UIAZUNJXNUHNJJ-OAHLLOKOSA-N	243.394	4.692	0	10	BJAE	
C=C=CC[C@H](CC[C@H]1CCC[C@@H](C)C1)NCCC	2253928079	DQVADQOHAWCEIE-BRWVUGGUSA-N	249.442	4.692	0	10	BJAE	
CCCNCC1(CCCC[C@H]2C[C@H]2C)CC=CC1	2254593750	IUVBCFPPWZAVHY-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CCC[C@@](N)(CC[C@H]1CCCC12CC2)C1CCC1	2255333578	STRRTDCCINSNNY-RHSMWYFYSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@H](N)C1CC2(CCC2)C1	2257280182	FKPFURAFWXCOJI-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2CCCCCC1CC1	2258101321	FSSFEHZYEZUXEV-GANOOXTDSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC[C@H](C)CC=C1CN[C@H]2CCC[C@@H]12	2259679818	XOVCJINBWVQZKW-XIRDDKMYSA-N	249.442	4.537	0	10	BJAE	
CC[C@H]1CC[C@H]([C@H](N)C[C@]23CCC[C@H]2CC3)CC1	2260599238	DMGXAKRFJRSOPS-SMLCLMEVSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC=C[C@@]1(N)CC1CC(CC(C)(C)C)C1	2261263175	GBSGJHKHPCGFBZ-PBMMVSLJSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC(C)(C)[C@@H](C[C@@H]2CC23CCC3)C1=O	2261448685	GQGJDXDTWBAJID-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@](C)(N)C1=CCC(C)(C)CC1	2300501360	MGDSHPBYRYAEOT-INIZCTEOSA-N	237.431	4.667	0	10	BJAE	
CCC(CC)CCN(C)[C@H]1CC[C@@H](C(C)C)C1	2300689597	ZTPILJGZXQGAOL-CVEARBPZSA-N	239.447	4.569	0	10	BJAE	
CCN[C@H](C)CCCC=C(C)CCCC(C)C	2300887840	KPNFJCJFMFDHHN-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
C[C@H]1[C@H](CC(=O)CC2CCCCC2)CC1(C)C	2302141003	WJUXRUCSQDOOFQ-GXTWGEPZSA-N	236.399	4.598	0	10	BJAE	
CC1(C)C[C@H]1c1csc([C@@]2(C)CC=CCC2)n1	2302267860	LDAVLGYKNIGFSZ-NHYWBVRUSA-N	247.407	4.654	0	10	BJAE	
CC[C@@H]1CC[C@@](N)(CCCC2=CCCCC2)C1	2302360146	ZATQJTDZXUPDDE-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](F)C1(N)CCCCC1	2302588146	YTBAYDKGGKLGTR-ZIAGYGMSSA-N	243.410	4.593	0	10	BJAE	
CCN[C@H](CCC=C(C)C)CCC[C@H]1C[C@H]1C	2302612974	LHVPNIIKKVULSU-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC(CC(=O)C[C@H]2CCC(C)(C)C2)C1	2302880525	MVNAXKPTNKVMTH-GFCCVEGCSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CC[C@@]1(CO)CCC(C)=C(C)C1	2303481507	XMHXYDIWWDSNML-INIZCTEOSA-N	238.415	4.702	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)[C@H]1CCCC(C)(C)C1	2307817692	RMGYLTLGBYKSAE-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CC1(CN[C@H](C)CC)CCC1	2307837091	FBQXHAVYVVGLHN-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc(C)c(C)c1	2307903168	NXXDAAIKTBQTSG-HOCLYGCPSA-N	233.399	4.520	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1C[C@H]1C1CCCC1	2307910934	QLXATHUODBNAPV-VHDGCEQUSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC)C[C@@H](CNC1CCC1)C(C)C	2307925540	UHAGRGPFUYKEQF-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
N[C@H](CCCC1CC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309182826	WZXLMKJFHSHJCI-LUKYLMHMSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@]1(N)CC[C@@]12CCC[C@@H]1C2	2310382937	TUMVCJQWDLHXCQ-MUIFIZLQSA-N	249.442	4.501	0	10	BJAE	
CCc1cc([C@H](O)C2(CC)CCCC2)ccc1C	2314703686	ZGLVMXFALAMZRL-INIZCTEOSA-N	246.394	4.561	0	10	BJAE	
CC(=O)CC(C)(C)CC(C)(C)Cc1ccccc1	2317221588	BMQCBYNVGYLUFL-UHFFFAOYSA-N	246.394	4.651	0	10	BJAE	
CCC1CC(C[C@@H](N)CCCC2=CCCCC2)C1	2318599551	XWLBLEKFKXWPPI-PREGVCBESA-N	249.442	4.811	0	10	BJAE	
Cc1ccc2c(ccn2C[C@H]2CCC(C)(C)C2)c1	2319141107	NOXAUPRGRXPXNG-AWEZNQCLSA-N	241.378	4.776	0	10	BJAE	
O=C(CCCCCC1CC1)C[C@H]1CC[C@H]1C1CC1	2319491422	HTAYMUXDDMEZQM-WBVHZDCISA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1NC1CCC2(CCC2)CC1	2320134049	JUBXFNFZQVKKJZ-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1N[C@@H]1CCC2(CCCC2)C1	2320174286	DPTWJKPOLZRBBX-RBSFLKMASA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCC1(C)CC1)C[C@H]1CCC(C)=C(C)C1	2320391321	SEMMAIQDCMWTKC-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)[C@@]1(CNC2CC2)CCC(C)=C(C)C1	2320396892	KHHOWZTUFBKQOU-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCCC(=O)c1cccc(C2CCC2)c1	2320658460	KYBIISVNHUTRNK-UHFFFAOYSA-N	242.362	4.883	0	10	BJAE	
CC(C)c1ccc(O[C@H](CC2CC2)C2CC2)cc1	2320813713	QUNUVVLSXMPTPJ-QGZVFWFLSA-N	244.378	4.768	0	10	BJAE	
Cc1ccc(C(C)C)c(C(=O)[C@@]2(C)CC2(C)C)c1	2327658427	YLLROCWNODMXAI-QGZVFWFLSA-N	244.378	4.737	0	10	BJAE	
CC(C)CCN[C@H](C)c1ccc(C(C)(C)C)cc1	19230286	KAJWYDQGWNSGPB-CQSZACIVSA-N	247.426	4.681	0	10	BJAE	
CC[C@H](C)[C@@H](C)N[C@@H](c1ccccc1)C(C)(C)C	36994507	BDDKWTFXNWHWEB-LZWOXQAQSA-N	247.426	4.798	0	10	BJAE	
CCC(CC)[C@H](N[C@H](C)CC)c1ccccc1	37107762	GQSNQUFTGYNSGH-CJNGLKHVSA-N	233.399	4.552	0	10	BJAE	
Cc1ccsc1[C@@H](O)C[C@@H](C)CC(C)(C)C	42731047	UNEGUXJNHXCTDN-PWSUYJOCSA-N	240.412	4.552	0	10	BJAE	
CCCC[C@@H](C)N[C@@H](C)c1ccc(CC)s1	50887747	TUMLXDCKTLJBKF-NEPJUHHUSA-N	239.428	4.540	0	10	BJAE	
CC[C@H](Nc1ccc(SC)cc1)c1ccco1	54082611	JECOIFSLUUHKMA-ZDUSSCGKSA-N	247.363	4.565	0	10	BJAE	
CCCCC[C@H](O)C[C@@H](CC)CCCC	78138307	YOIYKKLGDLFRMF-KBPBESRZSA-N	214.393	4.534	0	10	BJAE	
CC(C)c1ccc(C[C@H]2CCCCC(=O)C2)cc1	80386215	GETJYQUKCJISCL-OAHLLOKOSA-N	244.378	4.502	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1-c1ccc(N)cc1	84054023	KADSYYHLFSQVBX-UHFFFAOYSA-N	239.362	4.542	0	10	BJAE	
CCC1CCC(Sc2ccc(N)cc2C)CC1	85075812	DFRHVZHZUIAUFB-UHFFFAOYSA-N	249.423	4.638	0	10	BJAE	
CCCN[C@H](CC[C@H](C)CCC)CC(C)C	87522279	NBVTWBACWIIPDB-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
Cc1c(Cl)cccc1N[C@@H]1CCC(C)(C)C1	87769265	MDRAYCAVLYRJPJ-LLVKDONJSA-N	237.774	4.639	0	10	BJAE	
CC(C)CCC(=O)c1cccc2ccsc12	88038295	XQGOUTONCJYRIK-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CCCC[C@H](N[C@H]1CC=CCC1)c1ccccc1	88747148	MPKSDGYCJXYZIH-IRXDYDNUSA-N	243.394	4.616	0	10	BJAE	
CCCC[C@H](CC)CC1(O)CCC(CC)CC1	109695137	VALTZXMNWGUHDB-PCKAHOCUSA-N	240.431	4.924	0	10	BJAE	
CC(C)=CCC/C(C)=C\CCc1ccoc1	111336598	LZBXPXAOYQVZEC-ZSOIEALJSA-N	218.340	4.905	0	10	BJAE	
Cc1cc(Cl)c(C(=O)CC(C)(C)C)cc1C	122200193	RIZDMPOAIZYDPF-UHFFFAOYSA-N	238.758	4.576	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](N)c1ccccc1CC	125097680	OASOXTXWNRIXQK-WMLDXEAASA-N	247.426	4.855	0	10	BJAE	
CCCCC[C@H](NC)c1cc2cc(C)ccc2o1	128998825	UWUDNCYYYDSDPR-AWEZNQCLSA-N	245.366	4.582	0	10	BJAE	
CCCC[C@H](CC)[C@@H](NCC)c1ccsc1	129220815	JCMLVUSNPYJENC-GXTWGEPZSA-N	239.428	4.615	0	10	BJAE	
CCC[C@H]1CCC[C@H](NCCC2CCC2)CC1	133961279	ZGASPYGLDHPCFT-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@H]1CC(CC)CC	150086268	IHJRGTNKIUYAMO-HOTGVXAUSA-N	239.447	4.619	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@H](C)c2cccc(C)c2)C1	160155949	FNUQGIAVRHKKIW-VYDXJSESSA-N	245.410	4.614	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H](C)C(C)(C)C	165769600	AVZGPFXEAGUUEW-MCIONIFRSA-N	238.415	4.844	0	10	BJAE	
CC(C)(C)Cc1cc2sccc2s1	201838903	AQIYBCXLWQXNDD-UHFFFAOYSA-N	210.367	4.551	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C1CCCCCC1	203537029	MYCAUUWNCQARBR-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](O)c1cc(C)cc(C)c1	225416806	ZNIPXQUFNNHSJH-XIRDDKMYSA-N	246.394	4.553	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H](O)c2cc(C)ccc2C)C1	226983781	IXIRJNRFGGUPDP-HLLBOEOZSA-N	246.394	4.553	0	10	BJAE	
Cc1ccc(N[C@@H]2CCC[C@H](C)[C@H]2C)cc1C	227002505	DQGDYMJXPJHRRV-JGGQBBKZSA-N	231.383	4.540	0	10	BJAE	
CC[C@H](C)C[C@H](N)[C@H](c1ccccc1)[C@@H](C)CC	229154863	BTWXQTHFNFFOIB-OTRWWLKZSA-N	247.426	4.580	0	10	BJAE	
CCc1cccc(C(=O)CC2CCCCCC2)c1	229261290	CDIGKFCUEZFZNA-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
CCCC[C@@H](CC)[C@H](N)c1cc(C)cc(C)c1	229474280	NLOGPWXDFZDANP-ZBFHGGJFSA-N	233.399	4.520	0	10	BJAE	
CCN[C@@H](C=C(C)C)c1ccccc1C(C)(C)C	229744239	CPIYFJIWFQJTPM-INIZCTEOSA-N	245.410	4.601	0	10	BJAE	
CC(C)C[C@@H](C)[C@H]1CNc2ccc(Cl)cc21	232626783	DIVADFRSOLWYKL-ZWNOBZJWSA-N	237.774	4.531	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H](C)c1ccccc1	233595355	DDVYFARBGGAKCH-RHSMWYFYSA-N	247.426	4.595	0	10	BJAE	
CCN[C@H](C1=CCCCCCC1)c1ccc(C)o1	233618829	DWSZHUFRSKKBPA-MRXNPFEDSA-N	247.382	4.519	0	10	BJAE	
Nc1ccc(N=Nc2ccc3ccccc3c2)cc1	254677316	GPCZYGHXTJZIMK-UHFFFAOYSA-N	247.301	4.837	0	10	BJAE	
CC(C)SCc1csc2ccc(F)cc12	257989293	KFLAPBBMGYQNIO-UHFFFAOYSA-N	240.368	4.682	0	10	BJAE	
CCC1([C@@H](C[C@@H](C)CC(C)C)NC)CCCC1	302281679	FGRQUQXWICYTHE-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CNc1ccc(C(C)C)cc1	302312041	INIMLZCNEAFENL-AWEZNQCLSA-N	233.399	4.904	0	10	BJAE	
CCC[C@@H](C)n1ccc2c(OC(C)C)cccc21	305893106	YRUFWRPRSWYBFA-CYBMUJFWSA-N	245.366	4.790	0	10	BJAE	
CC(C)CC1(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CCCC1	306025815	OTFYXMNYXYNSHR-SOUVJXGZSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@H]2C=CCCCCC2)C1	310658151	RSCNDYYUWWJSIX-PMPSAXMXSA-N	248.410	4.908	0	10	BJAE	
CCC1(CNc2cccc3ccccc23)CCC1	310826034	KSMNHTZTAYWAHO-UHFFFAOYSA-N	239.362	4.832	0	10	BJAE	
Cc1cc(F)ccc1C(=O)C[C@@H]1CCC[C@H](C)C1	311022740	REQPIDZXYOITFI-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CCCNCC1(C[C@@H](C)CC)CCC(C)CC1	317205004	QNOMIUDWZGOKPE-FHERZECASA-N	239.447	4.619	0	10	BJAE	
CC[C@@H]1CCC(=O)[C@H](C[C@H]2CCC[C@@H](C)C2)C1	379759124	CQQXQSBUIIVDKO-KBXIAJHMSA-N	236.399	4.598	0	10	BJAE	
C/C(=C/CCNC(C)(C)C)CC1(C)CCCC1	379884103	CLRHHSBIBDZCEI-ZROIWOOFSA-N	237.431	4.681	0	10	BJAE	
CCc1ccc(N[C@@H](C)C2CCCC2)cc1C	383120743	GHGYACXDBZINDW-ZDUSSCGKSA-N	231.383	4.548	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C[C@@H](C)c1ccccc1	385068929	VOIFDUPPANPNPL-SQWLQELKSA-N	244.378	4.576	0	10	BJAE	
C[C@H]1CCC[C@H](CCCC(=O)c2ccccc2)C1	385289590	ONJNOLHSKITNBZ-LSDHHAIUSA-N	244.378	4.866	0	10	BJAE	
Cc1ccc(C)c(C(=O)CCC2=CCCCC2)c1	385843422	WFMUVKLYAUYIBU-UHFFFAOYSA-N	242.362	4.767	0	10	BJAE	
CC1CCC(C(=O)c2ccccc2C(C)C)CC1	394075987	KNNVRLGLVUWLAS-UHFFFAOYSA-N	244.378	4.819	0	10	BJAE	
CC1(C)CC[C@@H](NCCCC2CCCCC2)C1	395278654	ZNAMHDDWRUVWOU-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CCC1=CCCCC1)C(=O)c1ccccc1	395350930	IPSXWEISOUGYGR-CQSZACIVSA-N	242.362	4.786	0	10	BJAE	
Cc1ccc2c(C(F)(F)F)c(C)sc2c1	396197323	LYMLXMXYVOZWQH-UHFFFAOYSA-N	230.254	4.537	0	10	BJAE	
Cc1ccc(C(=O)CCC2CC2)c2ccccc12	400139646	VXHCLESHVUVABJ-UHFFFAOYSA-N	238.330	4.521	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](O)CCCC(C)(C)C	401303828	UJDDPGUQPVWWPD-ILXRZTDVSA-N	240.431	4.780	0	10	BJAE	
Cc1cccc([C@H](O)CCC(C)(C)C2CC2)c1C	406113433	NRDJGLFHJOTKSH-MRXNPFEDSA-N	246.394	4.553	0	10	BJAE	
CC[C@H]1CC[C@H](c2ccc(C(C)=O)cc2)CC1	642771900	QEHKEQQMWGSFPB-CTYIDZIISA-N	230.351	4.573	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)CCCC1CCC1	688357646	JMOJZNRTPWXWRM-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H](C)C(C)(C)C)CC(F)F	688833235	JXBATBHVWAWLDB-GHMZBOCLSA-N	248.357	4.699	0	10	BJAE	
O=C(CCCC1CCC1)C1CCCCCCC1	688837965	MYPIVEFZXAJVOH-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)c1cccc(C(C)C)c1	688925942	HWRJHOGEPQUNMW-BBRMVZONSA-N	234.383	4.526	0	10	BJAE	
CCC[C@@H](CC)Nc1cc(C)c(Cl)c(C)c1	690263011	QQCBYZNYAJZXHI-GFCCVEGCSA-N	239.790	4.947	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCC1CC2(CCC2)C1	691879662	FDDSLNHZQOPZLB-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)CCC1CCCC1	696568561	SNQIKYPBCVOPEG-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC[C@H](O)CCC1CCCC1	696568562	SNQIKYPBCVOPEG-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CCCC[C@@H](NC)C(C)(C)C	696692551	RGDQSLSLTOUAQV-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CNC[C@H](CCC(C)(C)C)C1CCCCCC1	696848635	DSGRECTXTLRMOP-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CCC(C)(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	701308585	KQAWXHFKVNAHPS-MELADBBJSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)c1cccc(C(C)C)c1	701579327	VBSRRMPLJLUFEK-DOTOQJQBSA-N	246.394	4.598	0	10	BJAE	
CCC[C@H](C)[C@](C)(N)c1cc2ccccc2s1	704506085	FQBUJSJKDGYXBZ-NHYWBVRUSA-N	247.407	4.511	0	10	BJAE	
C/C=C/[C@@H](NCC)C1CCC(CCCC)CC1	704655637	INQNKKPSVRMDSE-YDOWUGNXSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C)C[C@](N)(CCC)C1CCCC1	704952417	RCBJYNUVBWGKLG-DZGCQCFKSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)C[C@](O)(C1CCC1)C1CC1	705310637	NBJRCRDBNUIWTC-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC[C@H](CNCC(C)C)C[C@@H](C)CC(C)(C)C	709128628	SKIFAALIUWLRJP-CABCVRRESA-N	241.463	4.721	0	10	BJAE	
C[C@H](CCCCNC(C)(C)C)CC(C)(C)C	709189930	QLJLFOQHVNUDCG-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
Cc1cc(N[C@H]2CCCC[C@H]2C(C)C)cs1	710760161	QHZFXTWPUZENAQ-KBPBESRZSA-N	237.412	4.683	0	10	BJAE	
CCC[C@H](CCC(C)(C)CC)CNCC(C)C	711246623	QAXDIFVTUHRKGQ-OAHLLOKOSA-N	241.463	4.865	0	10	BJAE	
Cc1cccc(N[C@H]2CC(C)(C)CC[C@H]2C)c1	713013472	GPTGCQLCXBNVBP-HIFRSBDPSA-N	231.383	4.622	0	10	BJAE	
CC(C)(C)C[C@@H](N)C1CC(C)(C)CC(C)(C)C1	713148539	LPHFNOYOWJNPQN-CYBMUJFWSA-N	239.447	4.602	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)c1cscc1C	713213851	UGOIQIDFZSDLJJ-ZDUSSCGKSA-N	239.428	4.533	0	10	BJAE	
C=C/C=C\CCc1ccc2sccc2c1	713679405	RHXZFOSEMRYBIM-ARJAWSKDSA-N	214.333	4.576	0	10	BJAE	
CC(C)=C(C)CCc1c(F)cc(C)cc1F	718701621	SFQAKTGAGBXOFZ-UHFFFAOYSA-N	224.294	4.562	0	10	BJAE	
CC[C@@H]1CC[C@@H](C(=O)CCC(C)=C(C)C)C1	719176525	ZKTLWAIMVVXUHM-ZIAGYGMSSA-N	222.372	4.518	0	10	BJAE	
CC1(C)CC(CC(=O)C2CCCCCCC2)C1	723533348	TXGDBQRTPKNSHI-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(C)CCC[C@H](CNCCC2=CCCCC2)C1	1560254021	WMHJSWXOWUXSNG-INIZCTEOSA-N	249.442	4.683	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1CNc1ccc(C)c(C)c1	1620732286	KQJUNOMFSVCNCO-PBHICJAKSA-N	243.394	4.708	0	10	BJAE	
C1CCC2(CC1)CCC(NCCCC1CC1)CC2	1620987573	ZXISEABYUXXJEY-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCN[C@H](CC=C(C)CC)CC(C)(C)CC	1900843393	SPANPUCREMXMIH-CQSZACIVSA-N	225.420	4.537	0	10	BJAE	
CCN[C@H](C)CCC=C(C)CCCC(C)C	1900881173	VYZBZXZWEAWFQQ-OAHLLOKOSA-N	225.420	4.537	0	10	BJAE	
CC[C@@H]1CCC[C@H](c2c(F)ccnc2Cl)C1	1903369969	LXVBTSPSNDFSFO-ZJUUUORDSA-N	241.737	4.558	0	10	BJAE	
CCCC[C@H](CC)CC(C)=CCCNC1CC1	1905733246	RTGMAYSZZIHFOC-HNNXBMFYSA-N	237.431	4.681	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC[C@@]12CCC[C@@H]1C2	1908449151	ZPNKKMAXCSYFQJ-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@@H]1CC[C@@H]2C[C@@H]2C1	1909757819	KPZRWVLSWJLLHN-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
C=CC=CCCN[C@H](CCCC)c1ccccc1	1911913962	DRCILBFYSRVUHA-QGZVFWFLSA-N	243.394	4.640	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@]2(N)CCC3(CCCC3)C2)C1	1916440334	VVWJOYVNVGSZMP-BFYDXBDKSA-N	249.442	4.645	0	10	BJAE	
CC(C)=CCC[C@](C)(O)c1ccc(C(C)C)cc1	1920025922	DNQDJLPYPZOXDM-KRWDZBQOSA-N	246.394	4.764	0	10	BJAE	
CC(C)C[C@H](C(=O)CC[C@H]1CC1(C)C)C(C)C	1921420273	UKVXDTWWTGHHTP-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CC(CC)CC)[C@H](C)C1CCCC1	1924099744	SSXUEQRKRWPPME-CZUORRHYSA-N	239.447	4.617	0	10	BJAE	
CN[C@@H]1CC(C)(C)CC[C@H]1C[C@H]1C=CCCCC1	1925892996	QTTHIXCXHCYLPV-HRCADAONSA-N	249.442	4.537	0	10	BJAE	
CCC(CC)CC(=O)CCCCCC1CC1	1926188487	DCKRQMNCTFKIGR-UHFFFAOYSA-N	224.388	4.742	0	10	BJAE	
CCC(C)(C)C1CCC(=C(F)F)CC1	1927559523	DAANZMMSDGXMEF-UHFFFAOYSA-N	202.288	4.763	0	10	BJAE	
CC(C)=CCCc1cccc2sccc12	1931300151	YKULUGRFVZNSKX-UHFFFAOYSA-N	216.349	4.800	0	10	BJAE	
CC(C)(C)CC[C@@H](O)CC1(C)CCCCC1	1935621061	RYILDRMHBHZKBF-CYBMUJFWSA-N	226.404	4.534	0	10	BJAE	
CC(C)C[C@H](C)C[C@@](C)(O)C(C(C)C)C(C)C	1940243098	JSNGDNVXBXUJEE-GOEBONIOSA-N	242.447	4.738	0	10	BJAE	
CC(C)C(C(C)C)[C@H](C)Nc1ccccc1F	1940248358	JXPRSQICFXSCGS-LBPRGKRZSA-N	237.362	4.554	0	10	BJAE	
CCCN[C@H](C)C[C@H](C)CC1(C)CCCCC1	1940407063	HYEZMXOOXXUVNI-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)C(=O)CC[C@H]1CCCC1(F)F	1940731049	GPLAHJMKFKFUGR-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCCC[C@@H](CC)NCC(C)(C)C1CCCC1	1940761941	FLJXTPVWGQUPFI-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CC(=CCC1CCCCC1)c1cccc(N)c1	1940979168	IZFKZCZSZAHKOU-UHFFFAOYSA-N	229.367	4.643	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1C(=O)CCCCCC1CC1	1941590548	CHOWREXAZBSKEO-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCCNC[C@@H]([C@H](C)CCC(C)C)C(C)(C)C	1942656998	NGJYFUPMOXIWDN-CABCVRRESA-N	241.463	4.721	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC(C(C)C)C(C)C	1942787038	FAMDBIZGXCFYQX-HUUCEWRRSA-N	239.447	4.616	0	10	BJAE	
C[C@@H](CC(=O)CC1CCC(F)CC1)C(C)(C)C	1944537770	XFGZHICIRFGTFN-HIFPTAJRSA-N	242.378	4.546	0	10	BJAE	
CCC[C@H]1CCC[C@H]1NCC1(C)CCCCC1	1947462793	NXHUBTNZLKIZBO-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
C[C@H](C[C@@]1(O)CCCCC12CCC2)C(C)(C)C	1947899703	IYNKFDQHIPPQJE-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)CCC[C@@H]1CC1(C)C	1948325682	HQTWTQFMKVHIBH-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CC(C)C[C@@H](C)[C@](C)(O)CC1CCC(C)CC1	1948331561	HASJAADQWLGQLU-GYTBAZASSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](C)N[C@H]1C[C@@H]2CCCC[C@]2(C)C1	1948594625	AJALVYPLHLWWQA-FXUDXRNXSA-N	237.431	4.514	0	10	BJAE	
CC1(C)CC(C[C@H](N)CC2(C)CCCCC2)C1	1949733653	KXGCCAZRRHGNRE-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CC(C)C[C@H](C)[C@H](N)[C@H]1CCCC(C)(C)CC1	1950924083	XNOXFENOZBFAMP-KKUMJFAQSA-N	239.447	4.602	0	10	BJAE	
CC1=CCC[C@H](C)[C@@H]1CNC1(C)CCCCCC1	1963072812	YZRIQAZVODBUCX-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H]1CCC[C@H]1NCCC12CCC(CC1)C2	1973948338	GPUYIWJTTLQRNH-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
CC(C)CCCC(=O)CC1CCC=CCC1	1978429301	ZOHLCQIOQQDPPO-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@H](C)CC)s1	1991779307	ZTUVGIWWHDKGKH-LLVKDONJSA-N	238.396	4.710	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H](C)C1CC1	1995215400	VICLKYLDKHZYPZ-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](CC(C)C)NCC	1995263509	RQQDMSRVVMJQIL-HUUCEWRRSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CC[C@H](CCC(=O)CC2CCCCC2)C1	1996238393	QTULFNNOUQDEDT-DZGCQCFKSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC(N)(CC(C)C)C[C@H]1CC[C@@H](C)C1	1996250463	PJIPKSMAAUTINS-CABCVRRESA-N	239.447	4.602	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2CC2(C)C)CC1	1997112905	ACALCEDFXDVCIF-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)C(C)(C)CC1(O)CC(C)(C)C(C)(C)C1	1997808824	LRPXVYGTQRQTBH-UHFFFAOYSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@@H](CC)C[C@](C)(O)C1CC(C)(C)C1	1998645381	JRDIHJMDFLWHOO-CJNGLKHVSA-N	240.431	4.780	0	10	BJAE	
CCCC[C@@H](CC)C(=O)[C@@H]1CCCC(F)(F)C1	2000108360	YWFFZSRYHMCTQP-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC1(C(=O)CCC2CCCC2)CCCCCC1	2000219190	RHYMLTHQKGBSIO-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
Cc1cc(C)c2nc3c(c(Cl)c2c1)CC[C@@H]3C	2002853000	KUMCRYAINQZGOU-VIFPVBQESA-N	245.753	4.555	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@](C)(N)C2CCCCCC2)C1	2003012848	CNAKESSDODUCTL-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](O)CC1CCC2(CC1)CC2	2003190885	MRCNXKDKMOLNLG-HNNXBMFYSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C(C(C)C)C(C)C	2004234415	QGJHBCFAZRYDPB-HNNXBMFYSA-N	239.447	4.639	0	10	BJAE	
Cc1cc(C(=O)[C@H]2CCCCC23CC3)c(C)s1	2005589992	RERIOQQVXGXORF-CYBMUJFWSA-N	248.391	4.518	0	10	BJAE	
CC=CCCC[C@H](NCCC)C(C)(CC)CC	2009598981	UPRJMAOQQRCERY-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
C/C=C/CCC[C@@H]1CC[C@@H](NCCC)[C@@H]1CC	2009620451	VQXWVNKZWHCDFG-BKBYIFCJSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H]1N[C@H](C)C[C@@H]1C1(CCC)CCC1	2009771467	RLHYETRCCMYBBL-ILXRZTDVSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H]1C[C@H]([C@H](C)CCC)CC(C)(C)C1	2012041430	KQTZJKVCEXOOCL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1(C)C[C@@H](O)C[C@@H](CCC2CCCCC2)C1	2012049212	BRYHUEQTXMNDGT-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C[C@H]1CC(=O)CC(C)(C)C1)CC(C)(C)C	2012084644	PVTLOXSOZRIPCN-STQMWFEESA-N	238.415	4.844	0	10	BJAE	
CCNC[C@](CC)(C(C)C)[C@@H](C)CCC(C)C	2012410775	JMXKKKIDUNFBFV-JKSUJKDBSA-N	241.463	4.721	0	10	BJAE	
CN(CCC(C)(C)C)C1CC(CC(C)(C)C)C1	2014607992	LXKRBFQGKVILPD-UHFFFAOYSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCCC[C@](C)(N)[C@H]1CCC1(C)C	2014880543	PCIMLWBUMHFELU-HOCLYGCPSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@](C)(N)CCC(C(C)C)C(C)C	2015391130	VXJKDEWQASQRQJ-INIZCTEOSA-N	241.463	4.993	0	10	BJAE	
CCCC1(C[C@@](C)(O)[C@H]2CCC2(C)C)CCC1	2015644612	ORTQBNKPFPYCNP-DZGCQCFKSA-N	238.415	4.534	0	10	BJAE	
CC(C)=CCC[C@@H](C)N[C@H](C)CCC(C)(C)C	2016143923	HOBIZGCUWASFLU-HUUCEWRRSA-N	239.447	4.926	0	10	BJAE	
CCC[C@H]1CC[C@H]([C@H](O)CCCC(C)C)CC1	2017656314	VXHFTEDJBFDDBU-BZUAXINKSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC(CSc2ccccc2N)CC1	2017723719	DFWUADFGRXEMFN-UHFFFAOYSA-N	249.423	4.577	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1cccc(C(F)F)c1	2017740211	APDNFKMORWYRTE-JTQLQIEISA-N	241.325	4.861	0	10	BJAE	
CCC1CCC(C[C@H]2CCC(=O)[C@@H]2CC)CC1	2017774636	QZTPMNDGUCQMBN-NEXFUWMNSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H](CC(C)C)C(=O)CC1(CCC)CC1	2018936692	DNWVKOKRJYOAMU-AWEZNQCLSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](C)CN(C)[C@@H]1CCC[C@@H](CC)CC1	2019292754	BOUQKTKLYPVYTJ-ARFHVFGLSA-N	239.447	4.713	0	10	BJAE	
CCC[C@H](CC)N(C)CC1CCC(CC)CC1	2019445597	YENKHKYTFHETKH-GPANFISMSA-N	239.447	4.713	0	10	BJAE	
CCCN[C@H]1[C@@H](CCC(C)C)CCCC1(C)C	2020363329	ICXZEFOCFFUYCK-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccccc2C2CC2)C1	2021025820	CTAJUHOEPAYEHW-GXTWGEPZSA-N	229.367	4.555	0	10	BJAE	
Clc1ccc(NC[C@@H]2C[C@@H]2C2CCCC2)cc1	2022489667	MIVZYTJVXHRANT-SWLSCSKDSA-N	249.785	4.578	0	10	BJAE	
CC[C@@](CC=C1CCC1)(CNC(C)C)C(C)C	2023260477	LSPYONFINXLFHG-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC[C@H]1CCCC(C)(C)C1)NC	2024095002	ODXBDSAWBBRVQJ-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](N)C[C@@H]1CCCC(C)(C)C1	2024101853	NSFGJUDPSMVGLD-SOUVJXGZSA-N	239.447	4.602	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@H]2CCC2(C)C)C1	2024102863	WPOPBIVFKLBEAZ-CHWSQXEVSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@H]1CCCC(C)(C)C1	2024127936	IKVPDVCRFXVLLP-GDBMZVCRSA-N	240.431	4.924	0	10	BJAE	
Fc1cc(F)c2occ(C3CCCCC3)c2c1	2026603527	PGVZPBNTXGHTQU-UHFFFAOYSA-N	236.261	4.759	0	10	BJAE	
CC[C@@H](C(C)C)[C@H](O)CCC=Cc1ccccc1	2028233641	YODTXVSNSPCVQR-DLBZAZTESA-N	246.394	4.523	0	10	BJAE	
CCc1cccc([C@H](N)[C@@H](CC(C)C)C(C)C)c1	2028256290	YAPFZFPVXAOZAD-IRXDYDNUSA-N	247.426	4.567	0	10	BJAE	
CC(C)c1ccc([C@H](C)N[C@H]2C[C@H]2C(C)C)cc1	2028465969	PTINUOXXAZVDHP-JQFCIGGWSA-N	245.410	4.505	0	10	BJAE	
N[C@H](CCCCCC1CC1)C[C@H]1C[C@H]2CC[C@H]1C2	2028631965	UQVAVGBBCVEQEU-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@]1(CCCC1CC1)CNC1CC1	2032112222	OQZDFUDIFIWXAL-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC[C@H](C)Nc1ccccc1C1(C)CC1	2032242456	HQHVYXQMTKXLEY-AWEZNQCLSA-N	245.410	4.975	0	10	BJAE	
C[C@@H](Nc1ccc(C2(C)CC2)cc1)[C@@H]1CC1(C)C	2032242495	IGZLAFMRIBCSAC-DOMZBBRYSA-N	243.394	4.585	0	10	BJAE	
CC(C)c1ccc([C@H](O)C[C@@H]2CCC[C@@H]2C)cc1	2032557294	KPPJCNSMNCVRIG-RRQGHBQHSA-N	246.394	4.670	0	10	BJAE	
C[C@@H]1C[C@H]1[C@]1(CNC(C)(C)C)CCC=CCCC1	2033634704	WCIANSCYPALDEU-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
CCCc1ccccc1N[C@H]1CCC[C@@H]1C(C)C	2035401778	ZMPZHORTUPMKKX-WBVHZDCISA-N	245.410	4.876	0	10	BJAE	
CCCN[C@H](c1c(C)coc1C)C1CCCCC1	2035532990	RVWJDJRECVXWHK-INIZCTEOSA-N	249.398	4.517	0	10	BJAE	
CC1(C)CC([C@@H](N)C[C@@H]2C=CCC2)CC(C)(C)C1	2035601091	RHHDLOBDRNUUID-HIFRSBDPSA-N	249.442	4.523	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@H]3CC[C@H]32)CCCC1	2035884815	CDWWYPJOECGRKA-DJIMGWMZSA-N	249.442	4.658	0	10	BJAE	
C1CCCC(N2CC[C@@H]3CCCCC[C@H]3C2)CC1	2036488780	JSNZGBGWMNORQA-HOTGVXAUSA-N	249.442	4.611	0	10	BJAE	
CC(C)(C)[C@@H]1CCC(=O)[C@H](CC2CC3(CC3)C2)C1	2036730487	QURKOLCLFJJOLA-ZIAGYGMSSA-N	248.410	4.598	0	10	BJAE	
CCCC1([C@H](N)c2ccccc2C(C)C)CCC1	2037055990	ZRAULMSTCKBSOU-MRXNPFEDSA-N	245.410	4.780	0	10	BJAE	
CCC1(C[C@@H](N)c2cc(C)c(C)cc2C)CCC1	2037102653	BXKDAWWHDVYMIX-MRXNPFEDSA-N	245.410	4.582	0	10	BJAE	
CC[C@](N)(C[C@H](C)CC(C)C)c1cccc(C)c1	2037107062	USHIRVGLFSSVIX-WBVHZDCISA-N	247.426	4.631	0	10	BJAE	
C[C@H](C[C@]1(N)CC[C@H]2CCCC[C@H]2C1)C1CCC1	2037163057	SXQKPAXVZQYDNI-MXASKKJJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@](CN)([C@@H]2CCC3(CCCC3)C2)C1	2037686675	NWWZUTDVXIPSPO-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CN[C@H](CCC1CCC=CCC1)CC1CCCC1	2038108121	PDYLJVNXNGNDFC-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@H]1CC2CCC1CC2)C1(C)CCCCC1	2039861682	HTIQEBSFGAQDMB-LBDPXKHJSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC[C@@H](CNC2(C3CCCCC3)CCC2)C1	2040130666	JTSNIRJFIIZFQQ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@]2(N)CCCC3(CCC3)C2)C1	2041289129	GAFQZWLIUMNGCY-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)c2ccc(C)cc2)CC1	2041383116	LLZYUVQDVOQTEQ-HUUCEWRRSA-N	244.378	4.784	0	10	BJAE	
CCCN[C@H](CCCC1(C)CC1)C1(C)CC=CC1	2042019191	MBWDQYVQVVRLOI-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC1[C@H]2CCC[C@H]1CC2	2042022376	QPABWGZTFJUOSP-UGUYLWEFSA-N	249.442	4.514	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1NC1[C@H]2CCC[C@H]1CC2	2042022377	QPABWGZTFJUOSP-VGWMRTNUSA-N	249.442	4.514	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@]1(N)[C@@H]1CCC2(CCCC2)C1	2043680858	USRGRVXFFWZQSB-UXLLHSPISA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@](N)(C[C@@H]2CCC=CCCC2)C1	2045321401	VKJWMSNFCCSIQJ-ZACQAIPSSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CC1CCCC1)[C@@H]1CC(C)=C[C@@H](C)C1	2045763558	JPUIRBADNARROM-XOKHGSTOSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H]2CC23CCCCC3)C1	2047066770	YPNTVSJQXKHOBE-BBBYJDLNSA-N	248.410	4.742	0	10	BJAE	
N[C@@H](C[C@@H]1CCC12CCC2)C1=CCCCCCC1	2047931865	ILNHXGOBLHZMBB-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC1(CN(C2CCCCC2)C2CCCCC2)CC1	2048880452	RPWUVFNVRXSZEZ-UHFFFAOYSA-N	249.442	4.754	0	10	BJAE	
CC[C@H]1CCC[C@@](CNC2CC2)(CC2(C)CC2)C1	2048882344	KGCVMTBRAAVQPM-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCC(=O)c1ccc(C2[C@@H]3CCCCC[C@@H]23)cc1	2049172876	NGRPVDXXTWAHBL-HUUCEWRRSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1NC1CCCCCCCC1	2049673758	XMZSFSZCPJUWGJ-AIANPOQGSA-N	249.442	4.514	0	10	BJAE	
CCCN[C@@H](C1CCC(C)CC1)[C@]1(C)C=CCC1	2050008139	SHLJEAPZONIFPY-SJJHQCBESA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CC(=O)c1ccccc1F	2050495150	QBHPIYXFBMTOJW-OLZOCXBDSA-N	248.341	4.615	0	10	BJAE	
CCCc1ccc(N[C@H]2CCCCC23CC3)cc1	2053306116	MNOBJTQQUCJZSQ-INIZCTEOSA-N	243.394	4.774	0	10	BJAE	
CCNC[C@@]1(CCCC2CC2)CCCCC12CC2	2053352330	ANHTVBJQNIYLRZ-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCCC[C@H]1NC[C@H]1CCCCC12CC2	2053434343	QUJWGHIJJXFHNS-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(Cl)c(C(F)F)c1C(F)(F)F	2054888684	UBMWWWHSHAALNG-UHFFFAOYSA-N	244.590	4.605	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CC[C@]12CCCC(C)(C)C2	2058161023	PZZGIDHTJBAXEK-INMHGKMJSA-N	249.442	4.610	0	10	BJAE	
CCc1ccc(Cl)cc1SC(F)(F)F	2059094310	MVSHISFJGUTSDM-UHFFFAOYSA-N	240.677	4.514	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1C1=CC[C@H](C(C)C)CC1	2061149393	CLQOMJWQKQFVGY-BHYGNILZSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccccc1OCC[C@@]12CCC[C@@H]1C2	2061598585	ZHQAAKUVMKXLAP-RHSMWYFYSA-N	244.378	4.769	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)(C)C)C1CC(=C2CCC2)C1	2061730307	GTNCGYQCLVPEHM-WBMJQRKESA-N	249.442	4.537	0	10	BJAE	
CC[C@H](N[C@H]1CCCC(C)(C)C1)c1occc1C	2063677295	GVSWHKDDBCUUHH-KBPBESRZSA-N	249.398	4.598	0	10	BJAE	
CC1(C)CC2(CC([C@@H](N)C3(C)CCCCC3)C2)C1	2063805256	ZOGHNBVQVIROEP-CQSZACIVSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](C)CN[C@H](CC)c1ccc(CC)cc1	2066311782	BCNOTMJQBUOLQQ-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CC1(C)CCC[C@@](N)(C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1	2068766984	GAIFRGUKQXGDIA-MPTYRVRUSA-N	249.442	4.501	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCC(C(C)C)C(C)C	2068993752	DKQDDGVMXFATQU-KRWDZBQOSA-N	247.426	4.703	0	10	BJAE	
CCN[C@H](CCC1CCCC1)C[C@H]1CC12CCC2	2069196029	FEZRCUKLBABYQO-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCC1(C[C@H](NCC)c2cc(C)co2)CCC1	2069343808	CWBHAHIXEPVIQX-AWEZNQCLSA-N	249.398	4.599	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@@H](N)C2(CC3CCC3)CC2)C1	2069567518	SBIOIFCNLCXAEL-FVQBIDKESA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](C[C@H]1CC=CCC1)C1(C(C)(C)C)CCC1	2071931519	AZUGFIJSIQMKQC-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)C2(C(C)(C)C)CCC2)c1	2071933093	JQTFFYXRHLXKHU-OAHLLOKOSA-N	245.410	4.520	0	10	BJAE	
CC(C)(C)C1(C[C@]2(N)CCC[C@H]3CC[C@@H]32)CCC1	2071940127	HSPDXPOTYNKCRA-GRDNDAEWSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](CC(C)=C(C)C)c1ccc(F)cc1	2072429988	VEYUISLBFNIFAP-MRXNPFEDSA-N	249.373	4.613	0	10	BJAE	
CC[C@H]1CC[C@H](CN[C@H]2C=CCCCCC2)CC1	2072703221	WYRAOUVKKATFFQ-ULQDDVLXSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@@H]3CCC[C@@H]32)CC1	2072872121	XSPZMXFOMFNNMF-UVPYHEFZSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(CC(=O)[C@@]23CCCC[C@@H]2C3)CC1	2072881929	OYPXHRYGSBTWRD-OCUYMYNFSA-N	248.410	4.742	0	10	BJAE	
CCC(C)(C)[C@](C)(N)CC(C)(C)c1ccccc1	2072919863	YOCCPGCOHQSCRK-QGZVFWFLSA-N	247.426	4.508	0	10	BJAE	
CCCC[C@H](CC)N(C)CCCc1ccccc1	2074921896	KECPTISVYCXEEP-KRWDZBQOSA-N	247.426	4.520	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)c1c(C)cccc1F	2076040527	HAQLVAHZKDVNPN-MRXNPFEDSA-N	249.373	4.531	0	10	BJAE	
CC(C)(C)C1(C[C@@H]2CCCNC23CCC3)CCC1	2076651528	VLFTXRDEUXCECL-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C[C@H]1CCNc2ccccc21	2079664008	CNJWBUADTRKZGQ-UMVBOHGHSA-N	243.394	4.658	0	10	BJAE	
CC(C)CNC[C@@]1(CC=C2CCC2)CCC[C@@H]1C	2081681893	IRAOHGWMURYPMN-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C1=CCC(C)(C)CC1	2081782293	XDPLFZARVPOHNC-INIZCTEOSA-N	249.442	4.847	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H]1CC[C@H](C)[C@@H](C)C1	2081946694	KFDFUERNYORVDF-SLEUVZQESA-N	249.373	4.625	0	10	BJAE	
CCCC1(C[C@H](C[C@@H]2CC23CC3)NCC)CCC1	2086359870	WBZUZHXZGFNSGU-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
Cc1ccn([C@@H](C)C2CCC(C)(C)CC2)c1	2211148669	KFXDNEZERRSLCA-ZDUSSCGKSA-N	219.372	4.574	0	10	BJAE	
CN[C@H](CCCCCCC1CC1)[C@@H](C)C(C)C	2213578018	HXDRCIMVGUBRGH-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](c1ccccc1)C(C)(C)CCC	2216285142	IVFAXBKWWRLAKX-HNNXBMFYSA-N	233.399	4.554	0	10	BJAE	
CC(=CCCNC(C)(C)C)CCCCC(F)F	2216426182	BKZYRFAWUNTTOC-UHFFFAOYSA-N	247.373	4.536	0	10	BJAE	
Cc1cccc(F)c1NCCCCCCC1CC1	2218719411	YIYOITDSKOWGIQ-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
N[C@@H]1CC12CCC(CCCCCCC1CC1)CC2	2218720889	NCGBDGZJSOQRNI-AQFXKWCLSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CCCCC1CC1)C1CC2(CCCC2)C1	2220027566	JNQXBWXUKHINEJ-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@]2(C)CC=C(C)CC2)C1	2221643508	NTROUOBVUGRSLW-BFYDXBDKSA-N	248.410	4.908	0	10	BJAE	
CC[C@@H]1CC[C@]1(N)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222950042	UNRFQWRQATWZMO-JJTUDDRGSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@@H](C)N[C@@H]1CCc2c(C)cccc21	2223573046	OWYFPSAUHHJKPV-RHSMWYFYSA-N	245.410	4.541	0	10	BJAE	
CC=C(CC)[C@@H](NC)c1ccc(C2CCC2)cc1	2223705362	XNNNJTRNTTXRDT-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)c1ccc2occc2c1	2224197150	AFZILSGAKSCBER-GFCCVEGCSA-N	244.334	4.688	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCC[C@H](N)C2CCCC2)C1	2246657280	RBUUEYHNQAELLW-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@@](N)(CC)C[C@@H]1CCC12CCC2	2247438694	GFRSQISBPWOEBV-DZKIICNBSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@](C)(O)CC(C)(C)C	2248869667	JCQXJONKZXTHGN-YCPHGPKFSA-N	240.431	4.780	0	10	BJAE	
CC(C)CC[C@](C)(O)CCCCC[C@@H]1C[C@@H]1C	2248869982	KVMYKNFTRAEQKC-ARFHVFGLSA-N	240.431	4.780	0	10	BJAE	
CC(C)(C)c1cccc(NCCC2CCC2)c1	2249252986	CWGDMCPCPPZVBP-UHFFFAOYSA-N	231.383	4.586	0	10	BJAE	
CC[C@H](Nc1cccc(C(C)(C)C)c1)C1CC1	2249258516	MSVWGWHIYSHNNF-HNNXBMFYSA-N	231.383	4.585	0	10	BJAE	
CC(=CC[C@H](C)CCCC(C)C)CCCCN	2250478745	LSVLQLLFLIMQNV-MRXNPFEDSA-N	239.447	4.914	0	10	BJAE	
CC(C)CCC[C@H](C)CCN[C@H]1CC[C@@H](C)C1	2250488237	KPRVDWIBWDPKIK-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@]12CCCC[C@H]1CC2	2251125582	KUIHCAQTQUQQCR-BBRMVZONSA-N	236.399	4.742	0	10	BJAE	
CC[C@](N)(C[C@]12CCCC[C@@H]1CC2)C(C)(C)C	2251212147	PVDTUACIYUHAMS-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)N(C)[C@H]1CC(C)(C)CCC1(C)C	2251717591	JIQRBOACFIPKBX-KGLIPLIRSA-N	239.447	4.712	0	10	BJAE	
CCC1([C@H](N)CC[C@@H]2CCCCC23CC3)CCC1	2253875479	QZRMCMLKIBMHNH-LSDHHAIUSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@H]1NCC[C@@H]1CCCCC12CC2	2253892796	YXZFCLXORKORKH-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)cc([C@H](N)CCCC[C@H]2C[C@H]2C)c1	2254606449	FXALIPXGHKOBMA-HLLBOEOZSA-N	245.410	4.520	0	10	BJAE	
CN(CC1=CCCCC1)[C@H]1CCC2(CCCC2)C1	2255202721	ILZGWTQMALCFRC-INIZCTEOSA-N	247.426	4.532	0	10	BJAE	
CCCCC1CC(N)(CC[C@@H]2CCCC23CC3)C1	2255333288	SCJOLANMXIXFDE-CKDBGZEDSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccc([C@@H](N)[C@@H](C)CCC(C)C)cc1	2256298838	WVEUNTPGTZDAMC-YOEHRIQHSA-N	247.426	4.711	0	10	BJAE	
C1CNCCCC(CC[C@@H]2CCCCC23CC3)C1	2256968410	QIPSWVKWWWVQJB-INIZCTEOSA-N	249.442	4.517	0	10	BJAE	
CC(=CCCCC[C@H]1C[C@@H]1C)[C@H]1CC[C@H](N)CC1	2257238510	BIZWORWXMHWRIX-QAETUUGQSA-N	249.442	4.667	0	10	BJAE	
N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@H]2CCC1CCCCC1	2258022889	DTZHNUISXGGGNF-ZYGGUILKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)c1cccc2ccccc12	2259446085	DQLLKNRFFNXFJD-SUMWQHHRSA-N	242.362	4.700	0	10	BJAE	
Cc1cc2ccccc2n1C[C@]12CCC[C@@H]1CC2	2260580965	YDLZBPISJDCMNC-NVXWUHKLSA-N	239.362	4.530	0	10	BJAE	
Cc1c(F)cccc1NC[C@]12CCCC[C@@H]1CC2	2260582086	HRZDTILRVWWYFN-CZUORRHYSA-N	247.357	4.516	0	10	BJAE	
CC(C)(C)NCC1(C[C@@]23CCC[C@@H]2CC3)CCC1	2260652351	QXNDAPIHTVZIBR-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCNCC1(C[C@]23CCCC[C@H]2CC3)CCCC1	2260678955	OHJSEOBEJQBKOO-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CCC[C@@H](C)CNCc1cccc(C(C)(C)C)c1	2261355894	AUYDBGBHRPMUBK-CQSZACIVSA-N	247.426	4.510	0	10	BJAE	
CC(C)CCCCCC(=O)C[C@H]1CCC1(F)F	2299032074	FHGSKNONHVBBIQ-GFCCVEGCSA-N	246.341	4.597	0	10	BJAE	
CCCc1ccc(-c2cc(C)cc(O)c2C)s1	2300630462	WDNBAPCIUBZXTA-UHFFFAOYSA-N	246.375	4.690	0	10	BJAE	
CCN[C@@H](CCC(CC)CC)C1(C(C)C)CC1	2300673796	MRUUNCYUOQGZOP-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)C1(C(C)(F)F)CCC1	2300687307	AUEJOIVSRACYKC-UHFFFAOYSA-N	246.341	4.597	0	10	BJAE	
CCC(CC)CCN(CCC(C)C)CC(C)C	2300698852	CAMFDMHISLZLLF-UHFFFAOYSA-N	241.463	4.817	0	10	BJAE	
CC[C@H](C)CCNCC=C(C)CCCC(C)C	2300861131	OHKMALTXXDVLKN-HNNXBMFYSA-N	239.447	4.785	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)C(C(C)C)C(C)C	2300874352	JNRGCOZXHODYMC-HNNXBMFYSA-N	239.447	4.639	0	10	BJAE	
CCC[C@@](O)(CC)C[C@H]1C[C@H]2CCC[C@H]1CC2	2301135202	HVYGOYRRWHKISG-JONQDZQNSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@](O)(CC)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301135203	HVYGOYRRWHKISG-VGWMRTNUSA-N	238.415	4.534	0	10	BJAE	
CC[C@](C)(CNCC(C)C)[C@H](C)[C@H](C)C(C)C	2301834134	WRMWBPVWMKBPML-BZUAXINKSA-N	241.463	4.577	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@@H](C)[C@@H](C)C(C)C	2301964683	MKLKCZCCYUTLRY-SOUVJXGZSA-N	240.431	4.946	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)[C@H]1CC(C)(C)[C@H]1C	2302169182	JXKOCJBWQCLTCK-MJBXVCDLSA-N	238.415	4.700	0	10	BJAE	
C[C@H](CC[C@H]1CCCC[C@@H]1N)C1CCCCC1	2302506066	DPKKDEGBAIYEFY-BMFZPTHFSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H](CCC[C@@H]1C[C@H]1C)NC	2302608140	HIHPGQALTRIOQO-BMFZPTHFSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@](O)(CC)C[C@@H]1CCC(C)(C)C1	2302713460	PAEGNYUORQNIAW-ZBFHGGJFSA-N	240.431	4.924	0	10	BJAE	
CCCCC(C)(C)NCC[C@@H]1CCC(C)(C)C1	2304366649	MJJZQYMYBLQPGC-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC(=O)C12CC(CC(C)C)(C1)C2	2304395253	ZTQCSGDBGCDIFR-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@@H](N)c1cc(C)ccc1C(C)C	2307505217	ICEOECKZUXMCPI-BLLLJJGKSA-N	233.399	4.554	0	10	BJAE	
CCC[C@H](CC)CC(=O)[C@@H]1C(C)=CCC[C@@H]1C	2307845688	RSCUDOBNEADCHD-OFQRWUPVSA-N	236.399	4.764	0	10	BJAE	
N[C@@H](CC[C@@H]1C[C@H]1C1CCCC1)CC1CCCC1	2311570474	LDASAGHZQRDBKQ-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@H]1CC[C@@H]2C[C@@H]2C1	2312333478	NGEPLGVWBICHLM-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)C1	2313184015	ZMTVHAYHQRYVQJ-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CC1)N(C)[C@@H]1CCC2(CCCCC2)C1	2313598555	GMUSKGGHKIDYEH-GDBMZVCRSA-N	249.442	4.610	0	10	BJAE	
CCC(C)=CC[C@H](N)c1ccc2ccccc2c1	2316509506	IMANKUWFZJHRBI-KRWDZBQOSA-N	239.362	4.586	0	10	BJAE	
CC(=CCC(=O)C1CC2(CC2)C1)CCCC(C)C	2316531050	AMMAWDAJELAAGW-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CCCc1ccc([C@](C)(N)CC=C(C)CC)cc1	2316536693	NEVWUUONCDBLHX-QGZVFWFLSA-N	245.410	4.559	0	10	BJAE	
CCCN[C@@H](CC)c1cccc(C[C@@H](C)CC)c1	2317099635	NZNAKZUDOMTYSL-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
C[C@H]1[C@H](Nc2cc(C3CC3)ccc2F)CC1(C)C	2318246653	BMRLYHAZRHYQSX-ZUZCIYMTSA-N	247.357	4.550	0	10	BJAE	
CCCCCCc1ccc(CNC(C)C)c(C)c1	2318365587	YFXOSLYHXDTOGL-UHFFFAOYSA-N	247.426	4.616	0	10	BJAE	
C1=C(CCCNC2CCC3(CC2)CC3)CCCC1	2318521140	FHZCNZXAOZBFBB-UHFFFAOYSA-N	247.426	4.579	0	10	BJAE	
N[C@@]1(CCCC2=CCCCC2)CC[C@H]1C1CCC1	2318544023	UUDFPUCNKJJIKK-IRXDYDNUSA-N	247.426	4.565	0	10	BJAE	
C[C@H]1C[C@H](C)CC[C@@]1(N)CCCC1=CCCCC1	2318545859	NCJIWANXALFVOK-VYDXJSESSA-N	249.442	4.811	0	10	BJAE	
CN(CCCC1=CCCCC1)CC[C@H]1CC1(C)C	2318568508	KTOLJEUZLSVKIJ-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
Cc1cc([C@H](O)CCCC2=CCCCC2)c(C)o1	2318573605	UILMEYKWTWDMJW-MRXNPFEDSA-N	248.366	4.601	0	10	BJAE	
CCCC1([C@@H](N)CC[C@@H]2CC[C@H]2C2CC2)CCC1	2319735723	YZSDVRGFLUXCAI-JYJNAYRXSA-N	249.442	4.501	0	10	BJAE	
CCN(C[C@H]1CC[C@H]1C(C)(C)C)c1ccccc1	2320309844	FIWSYXQOEWUWJE-GDBMZVCRSA-N	245.410	4.585	0	10	BJAE	
CC1=C(C)C[C@@H](CN[C@@H]2CCCC(C)=C2C)CC1	2320414020	PYTPNVJUGOSBOX-DLBZAZTESA-N	247.426	4.601	0	10	BJAE	
CC1=C(C)C[C@H](CNCCC2CC(C)(C)C2)CC1	2320414113	WFSCLXOXQBIRAW-OAHLLOKOSA-N	249.442	4.539	0	10	BJAE	
CC1=C(C)C[C@H](CN[C@]2(C)CCC(C)(C)C2)CC1	2320424640	SFXJUYICHYSPIF-NVXWUHKLSA-N	249.442	4.681	0	10	BJAE	
CC(C)c1cccc([C@@H](N)C[C@@H]2CC[C@@H](C)C2)c1	2320520963	MBJQKBVTURCVDS-CPUCHLNUSA-N	245.410	4.636	0	10	BJAE	
Cc1ccc(C(C)C)c([C@@](C)(O)[C@H](C)C(C)C)c1	2327702055	UAXZCYJRGVVFAE-PBHICJAKSA-N	248.410	4.618	0	10	BJAE	
CCC[C@@H](CC)CN1CC[C@@H](C)c2ccccc21	2328101521	JNXSBNNKQNZHCX-HUUCEWRRSA-N	245.410	4.827	0	10	BJAE	
c1cc2c(c3c1CCCC3)CC[C@H]1CCCC[C@H]21	1704772	DISXLARWFONJQP-ZBFHGGJFSA-N	240.390	4.785	0	10	BJAE	
CC[C@H](C)c1ccc([C@H](NC)C2CCCC2)cc1	35469265	VACIBHJJKFIKEL-SUMWQHHRSA-N	245.410	4.651	0	10	BJAE	
CCC(CC)[C@@H](NC)c1ccc([C@H](C)CC)cc1	35469292	VWLAXSCFCHQSGS-CXAGYDPISA-N	247.426	4.897	0	10	BJAE	
CC(C)[C@H](Nc1ccccc1)c1cccs1	37186066	XBUWDTXEHDFAFB-AWEZNQCLSA-N	231.364	4.557	0	10	BJAE	
CCC(CC)[C@@H](C)N[C@@H](C)c1ccc(C)s1	82631251	SGAWATVMUONXHV-NEPJUHHUSA-N	239.428	4.532	0	10	BJAE	
CCCc1ccc(N[C@H]2C[C@H](C)CC[C@@H]2C)cc1	85086621	DGXWXNQUURMRTA-KEYYUXOJSA-N	245.410	4.876	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](Nc2ccccc2)CC1	86921991	YRGJSBDYLCIZPN-GOEBONIOSA-N	231.383	4.703	0	10	BJAE	
CCCC[C@H](CC)C(=O)Cc1cc(C)ccc1C	104181642	CKWQMSBUFDSUIB-HNNXBMFYSA-N	246.394	4.631	0	10	BJAE	
CCC(=O)[C@H](c1cc(CC)ccc1CC)C(C)C	107473138	DZSGYBPUVCQNBD-KRWDZBQOSA-N	246.394	4.530	0	10	BJAE	
CCCc1ccc(N[C@@H](C)C2CCCC2)cc1	109761682	YNOKFFKHUDLAIL-ZDUSSCGKSA-N	231.383	4.630	0	10	BJAE	
CC[C@H](C)c1ccc(NCC2CCCC2)cc1	109786638	AOYAJSKWHOVNBE-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
CCCCC1CCC(CCC)(CNCC)CC1	110198757	RIJFZRHLYQPTKL-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CCC(CC)CNC1CC(C)(C)CC(C)(C)C1	125468370	ASZYDIUAXNQHEB-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](C[C@@H](C)CCC)NCC	126015353	NRMCIJRIDRTOCF-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](C)CCNCC(C)C	132764669	XWLKUEFGWPPOER-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)[C@@H](C)CCC	133544841	PPROBTIJBXFSDX-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@@H](C)C(C)(C)C	162694112	FAQFRYTVWGXVDU-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CC1CCCCCC1)C1CCCC1	167498110	HZWZKKQQQBBAMB-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@@H](O)c1cccc(C2CCC2)c1	168762224	VEUDPGMQRRKNIZ-MRXNPFEDSA-N	232.367	4.568	0	10	BJAE	
CCC1CCC([C@H](N)C[C@@H](C)C(C)(C)C)CC1	168763443	BTYRUMXFTLAVAI-XSCHDIRWSA-N	239.447	4.602	0	10	BJAE	
C[C@H](C[C@@H](O)CC1CCCCC1)CC(C)(C)C	168808262	PJMXTEVKDHKDJF-UKRRQHHQSA-N	240.431	4.780	0	10	BJAE	
CC[C@H](N[C@@H]1CCC[C@@H](C)C1)c1ccc(C)cc1	216328138	DHANXGYPWPGRLF-OIISXLGYSA-N	245.410	4.614	0	10	BJAE	
CCCN[C@@H](C[C@@H](C)CC)c1cccc(CC)c1	228856147	QFZSODGOCPBHTL-YOEHRIQHSA-N	247.426	4.726	0	10	BJAE	
Cc1cccc([C@@H](O)CCC(C)(C)C)c1Cl	229341505	RXYSAFORTZLSCL-LBPRGKRZSA-N	240.774	4.508	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](CC2CCC2)NC)cc1	232156512	GQQBSQWZOHUOLE-DYVFJYSZSA-N	245.410	4.651	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)[C@@H]1CC1(C)C	233174420	NKDGTNPGZNLTQO-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)[C@@H]1CCC[C@H](CC)C1	251822882	ZSRKBJBBNCJGGC-QKPAOTATSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCCCC(C)(C)C)CNC(C)(C)C	300787559	BZNFFGVDPKWHHE-CYBMUJFWSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@@](C)(CCCC(C)(C)C)C1CC1	302363165	YAYJECQGIIMBMS-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(C)c(C(=O)C[C@H](C)CC(C)C)c1	304190836	USSJQZQUCOGYSU-CYBMUJFWSA-N	232.367	4.558	0	10	BJAE	
CCC[C@@](N)(C[C@@H](C)CC(C)C)c1ccccc1	305908957	DTDRYSDFNXUEKA-DOTOQJQBSA-N	247.426	4.713	0	10	BJAE	
CSc1cc2scc(Cl)c2cc1C	307336095	BNJVOUPERVZFNQ-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)c1ccc(Cl)cc1	308117853	XOWRXRXBPIQSCM-NSHDSACASA-N	238.758	4.595	0	10	BJAE	
CN[C@@H](C[C@@H](C)C(C)(C)C)CC1(C)CCCC1	310220582	FXXSJKQLNLIYCL-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(NC(C2CCC2)C2CCC2)c(F)c1	310617594	FNDLYVGDMXAWKV-UHFFFAOYSA-N	247.357	4.515	0	10	BJAE	
CCCN[C@@H](CC1(CC)CCC1)c1ccccc1	311134007	XJAYDISVDNPRDK-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
CC[C@H](C)C[C@@]1(CNC(C)C)CCC[C@@H](C)C1	317351616	AQIHZUOTQPQBBT-XHSDSOJGSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)C[C@@]1(CNC)CC[C@@H](C)C1	318016044	QSFIECRNZMGWOC-OWCLPIDISA-N	239.447	4.619	0	10	BJAE	
CC(C)CC1(CNC(C)(C)C)CCCCCC1	318280631	JRFBTVQZEZDYET-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CC[C@H](C)[C@@H](C)[C@H](O)c1ccc(C(C)(C)C)cc1	319374247	QPONRPKXAFCLHA-ZENOOKHLSA-N	248.410	4.700	0	10	BJAE	
CC[C@H](C)[C@H](C)n1ccc2ccc(C)cc21	319737341	XJBPYSHFISUARN-STQMWFEESA-N	215.340	4.557	0	10	BJAE	
CCC[C@H](N[C@@H](CC)C1CCCC1)C1CCC1	325074329	WZCMPSDNVLVIFD-HOTGVXAUSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)C(=O)Cc1ccc(C(C)C)cc1	385379839	SHHSHEJDBCXKKS-AWEZNQCLSA-N	246.394	4.748	0	10	BJAE	
CC(C)[C@@H]1CCCC[C@@H]1N[C@H]1C=CCCCCC1	385399470	LLEWBNWKOXJAOQ-ULQDDVLXSA-N	249.442	4.680	0	10	BJAE	
CC(C)(C)C(C)(C)[C@@H](N)CCC1=CCCCC1	385669706	HJMUJZUSEHQBJO-AWEZNQCLSA-N	237.431	4.667	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cccc2ccsc12	386247021	QJSBKGDPVSBZDP-QWRGUYRKSA-N	233.380	4.748	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)CCC(C)C	391165710	DJYPIPKKNPJLEP-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC1(C)C)c1cccc(C)c1	393965750	OLPFTVISBCEQDH-JKSUJKDBSA-N	245.410	4.614	0	10	BJAE	
CCC[C@](O)([C@@H]1CCCC[C@H]1CC)C(C)(C)C	395416403	KCZBRDZOZAJESP-FMKPAKJESA-N	240.431	4.780	0	10	BJAE	
CC[C@@H](NCCCC1CCCC1)C1CCCC1	395700312	GLABOUJFRMONON-MRXNPFEDSA-N	237.431	4.515	0	10	BJAE	
CCOc1cc(Cl)cc2scc(CC)c12	396188812	KSOIGIOOLIMONN-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
Cc1c(F)cccc1C(=O)C[C@@H]1CCC[C@H](C)C1	398989219	GUXVLMQHQFAZLQ-WCQYABFASA-N	248.341	4.533	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3C[C@H]3C2)CC1	403689454	RTNAXGXXYJGYBQ-UHDSXZAQSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)c1ccc(OCCCC2CC2)cc1	405953672	IMLIZUDAMQSEMO-UHFFFAOYSA-N	232.367	4.553	0	10	BJAE	
CC(C)CCCCC[C@@H](O)C1(C(C)C)CCC1	686921388	DEPAIFXFXHPTKV-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CC[C@@H](Nc2cccc(C3CC3)c2)C1	690152460	NMTBJQRLXVAJGI-MLGOLLRUSA-N	229.367	4.555	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(O)CCC1CCCC1	691189685	UWKRIURLXPESDT-HZPDHXFCSA-N	238.415	4.678	0	10	BJAE	
C[C@@H](C(=O)c1ccc2sccc2c1)C1CCC1	692694928	QDOKMTUBXRRJLE-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
C[C@@H]1CC(C)(C)CC[C@@H]1N[C@@H]1CCC12CCCC2	693792263	DEOYDIZOEMLADT-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](O)CC(C)(C)CC	696659694	OSFXUCHVGYMEMA-UONOGXRCSA-N	228.420	4.780	0	10	BJAE	
CCNC[C@@H](CCC(C)(C)C)C1CCCCC1	696855836	MAWFDQWLFNGTHE-OAHLLOKOSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)C2(C(C)C)CC2)cc1	697655898	PFMDUIBGCXAWRR-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1CCC=C(C)C	697747114	ALAWMEVOCZPJSZ-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CCC1=CCCCC1)[C@@]1(C)C[C@@H]1C	704315043	UHSINVMXXCHACJ-UAGQMJEPSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CC[C@H](N)[C@@H](C)CC(C)(C)C	708257847	SYQZKPAVHJOKIM-STQMWFEESA-N	227.436	4.602	0	10	BJAE	
Cc1cc(C)cc(NC[C@H](C)CC(C)(C)C)c1	709101508	JLJKQOWKRTXLHY-CQSZACIVSA-N	233.399	4.788	0	10	BJAE	
CC[C@H](CC(=O)[C@@H](C)CC(C)(C)C)CC(F)F	709153788	TVTAYVOLVXISJW-WDEREUQCSA-N	248.357	4.699	0	10	BJAE	
CC1(C)CCC[C@H](N[C@H]2CCCC[C@H]2C2CC2)C1	710135068	CHOMGCUTVAGMOR-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCc1ccc(N[C@@H]2C[C@H]3CC[C@H](C3)C2)cc1C	711045014	DSZSOGCBVLCYCV-HALDLXJZSA-N	243.394	4.548	0	10	BJAE	
CC[C@H](C[C@H](O)c1cccc(C)c1C)C(C)(C)C	711087328	OIQJZIZEPRIGBC-ZBFHGGJFSA-N	248.410	4.799	0	10	BJAE	
CC[C@@H](CC(=O)c1[nH]c(C)c(C)c1C)C(C)(C)C	711094863	NZPBIRKFCYIJOO-ZDUSSCGKSA-N	249.398	4.585	0	10	BJAE	
Cc1ccccc1CCC(=O)C[C@H](C)C(C)(C)C	711150218	YNGABWMLDRHDQY-AWEZNQCLSA-N	246.394	4.569	0	10	BJAE	
Cc1cc(C)c([C@H](O)CCCC2CCC2)c(C)c1	711177722	BLRSRPBMDDEVOY-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
CCCC(CCC)N[C@@H]1CC[C@@H]2CCCC[C@H]21	714303393	JFXGTLOKSWDIOP-NUEKZKHPSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714431350	XXLUDSNHXYYWKQ-QXSJWSMHSA-N	238.415	4.534	0	10	BJAE	
CCc1cc(C)cc(CC)c1NC[C@]1(C)C[C@@H]1C	714614270	QSJCQTDAMQHZJN-GUYCJALGSA-N	245.410	4.578	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)CCCC(C)(F)F	718613645	VCFZNPXLEOTLGG-CHWSQXEVSA-N	249.389	4.602	0	10	BJAE	
CC(C)=CCCc1cc(C(C)(C)C)ccc1O	718630044	WUOJWHRSJZMFKL-UHFFFAOYSA-N	232.367	4.589	0	10	BJAE	
CCCN[C@@H](C)C[C@H](C)CCC(C)=C(C)C	718650356	HFOGHYFLFCMMSY-HIFRSBDPSA-N	225.420	4.537	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)c1ccccc1C1CC1	718746000	FCMIIXHZLZYNPD-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CCC(C)(C)[C@H](C)N[C@@H]1CCCCCC1(C)C	719279018	ZTTCXWUCNIFSTJ-UONOGXRCSA-N	239.447	4.760	0	10	BJAE	
Cc1cc(C)cc(N(C)CCC(C)(C)C2CC2)c1	1652322086	KGVWLWOVFGBPGP-UHFFFAOYSA-N	245.410	4.566	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H](C)C2)c2ccccc2c1	1659246623	FWNXOZOIEGQYJP-SWLSCSKDSA-N	239.362	4.749	0	10	BJAE	
CCCC[C@](C)(O)CC[C@@H]1CCC(C)(C)C1	1903381705	BUTQXJCATFNYJV-ZFWWWQNUSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H](CC)C[C@H](NC)C(C)(CC)CC	1905357913	DKUSWTBXZAPRMA-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCNC[C@@]1(CCC(C)(C)CC)C=CCC1	1916345389	VSYMDWLHFOULNV-INIZCTEOSA-N	237.431	4.539	0	10	BJAE	
CCCCCCN(Cc1ccccc1)[C@H](C)CC	1923527097	ODBHMCYRCNKWST-MRXNPFEDSA-N	247.426	4.867	0	10	BJAE	
CC(C)CCCCC[C@@](C)(CO)C1CCCC1	1923885742	BKSUZGQEAHKUOL-INIZCTEOSA-N	240.431	4.782	0	10	BJAE	
CC(C)c1ccccc1[C@@H](O)[C@@H](C)C1CCCC1	1923892788	KQZCFVNMPGPFDS-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H](C)CC(C)(C)C[C@@H]1C=CCCCC1	1925947193	YWOSPLDPNFHBSR-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CC1(C)CCCCC1	1935604593	SXFDQOFJUMJIOV-CYBMUJFWSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)[C@@H](O)CCCC1(C)CC1	1935941803	XRRWEXWEECTORK-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CCC(=O)c1sccc1C1CC1	1937040555	GHZGMJFDASMFBX-UHFFFAOYSA-N	236.380	4.635	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)c1sccc1C	1938537079	PDGZDPXFSNTPNG-QWHCGFSZSA-N	239.428	4.676	0	10	BJAE	
Cc1cccc(C)c1OCC1(C)CCCCC1	1940384122	YWGXNVGVBLZSGB-UHFFFAOYSA-N	232.367	4.653	0	10	BJAE	
CCCN[C@@H](CC)[C@@H](C)CC1(C)CCCCC1	1940416035	PLZJVGWZZAKNII-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](C[C@H](C)C(C)(C)C)NC	1941266306	CZFLRQZPUASHQL-ZNMIVQPWSA-N	241.463	4.719	0	10	BJAE	
CN[C@@H](CCCC(C)C)[C@H](CC(C)C)C(C)C	1941267628	VBZFVFKUMPPAFZ-CVEARBPZSA-N	241.463	4.719	0	10	BJAE	
Cc1cscc1N[C@H](C)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C	1944701631	JQAPNZLQYXRHTJ-FVCCEPFGSA-N	249.423	4.539	0	10	BJAE	
CC[C@@H](C[C@@H](N)C[C@@H]1CCC[C@H]1C)C(C)(C)C	1944831401	KPVRJFKOZMYWOZ-QPSCCSFWSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCCNC1(C)CCCCCC1	1945602228	AZMAWJXBJFKOSM-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
CCC(CC)(CC)NCC(C)(C)C1CCCC1	1946157442	BXVWJQXRMPWVHV-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCCCCN[C@H]1CCCCCCC1(F)F	1947299043	YOKDKRCKGQZCOD-ZDUSSCGKSA-N	247.373	4.514	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CCCCCC1CC1	1947470545	VAVZIBYGHJLZJF-HOTGVXAUSA-N	237.431	4.645	0	10	BJAE	
FC(F)(F)c1cccc(CC[C@H]2C=CCC2)c1	1947553186	VWRFNLAKOFANFS-NSHDSACASA-N	240.268	4.604	0	10	BJAE	
CC(C)=CCC[C@@]1(N)CCCCC[C@@H]1C(C)C	1949018392	CLLPBDLCUFLUPP-CVEARBPZSA-N	237.431	4.667	0	10	BJAE	
CC1([C@@H](N)CC[C@@H]2CC2(C)C)CCCCCC1	1949141349	AYLOEUJEFWNOTB-KGLIPLIRSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)CC[C@H](O)[C@@H]1CCC2(CCCC2)C1	1949398450	GJGMNHORZHWYRY-KGLIPLIRSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H](C)C1CCCCCC1	1950101189	VEDAFELXFIMWTF-BBRMVZONSA-N	237.431	4.514	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H](C)CCC1CC1	1968341972	SQRZYQISWIAGRL-NSHDSACASA-N	237.774	4.639	0	10	BJAE	
C[C@@H]1CC[C@H](NC2CC3(CCCCC3)C2)[C@H](C)C1	1969583909	ZZGDKWGUIKJRDH-FMKPAKJESA-N	249.442	4.514	0	10	BJAE	
C[C@@H](N[C@@H]1CCCCC12CCC2)C1CCCCC1	1972820400	QRRVLJVTWOAYEK-GDBMZVCRSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@](O)(CC)C1CCC(C)(C)CC1	1975959482	TTYFPMGRSSROOG-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1cc(C(F)F)cs1	1977080939	LALDOKDVFWLLFI-VIFPVBQESA-N	248.338	4.545	0	10	BJAE	
CC(C)(C)CCC(=O)[C@@H]1CCCC(C)(C)C1	1978370159	UBQVHDSUHOLXDD-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCCCCC[C@@H]1O	1980340089	SNJFTAHJOQZPMM-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCC(C)(C)CC1(N)CCC(C)(CC)CC1	1981060909	OWJKMVJNVCHSFZ-UHFFFAOYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)C(=O)CC1CC(CC)C1	1983359400	PORGIWFNMJWKHR-JXQTWKCFSA-N	224.388	4.598	0	10	BJAE	
C(=Cc1ccccc1)CC1CC(=C2CC2)C1	1985502901	CCXHNRDWQHVFIZ-UHFFFAOYSA-N	210.320	4.590	0	10	BJAE	
CCCC[C@H](CC)c1nc(C2(C)CC2)cs1	1990194687	VWLSPXUDQAARBO-NSHDSACASA-N	237.412	4.878	0	10	BJAE	
CC(C)CCCCC[C@H]1CCC[C@@H](C)C1=O	1993963386	CHYXCGURWDGTMJ-KGLIPLIRSA-N	224.388	4.598	0	10	BJAE	
CC1(C)C[C@@H](Nc2cccc(Cl)c2)C1(C)C	1994588128	OEWAEPHLNLIVPV-GFCCVEGCSA-N	237.774	4.577	0	10	BJAE	
CCN[C@H](C=C(C)C)[C@H]1CCC[C@@H](CC)CC1	1997106076	RFXNOWVZPDQARR-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCCCCCC(=O)CC1CC(C(C)(C)C)C1	1998235679	ZYNPUMUVQXNQTP-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
Cc1cscc1[C@@H](N)C[C@H]1CCC=CCCC1	1999991757	RXEVITXVYTVPHX-ZFWWWQNUSA-N	249.423	4.583	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)c1c(C)csc1C	2000295035	BVSFNIGFXCQCPO-MFKMUULPSA-N	248.391	4.540	0	10	BJAE	
CCCN[C@@H](CCCC(C)C)C[C@@H]1C=CCC1	2000379900	QKCVKIKZZQYRAR-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
Cc1ccsc1C(=O)C[C@@H]1CC12CCCCC2	2001255036	PYGZWBHEFNDTKC-GFCCVEGCSA-N	248.391	4.600	0	10	BJAE	
CCC(C)(C)C[C@@H](O)C[C@H]1CC12CCCCC2	2001262529	AAMRDDILFPYERX-KBPBESRZSA-N	238.415	4.534	0	10	BJAE	
CC[C@](O)(C[C@H]1CC12CCCCC2)C(C)(C)C	2001262681	PIFILBBPSFGRAI-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(O)C1CCC(CCC)CC1	2002924637	KHDOTWYXAYRUNP-GPANFISMSA-N	240.431	4.924	0	10	BJAE	
CCC/C=C/CN[C@@H](C)C1CCC(CC)CC1	2002924716	KGHJPUFIKRGARF-GRNXOLGLSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)CCCCCC2CC2)CC1	2003066706	HCKREZUVQGTXKN-CTYIDZIISA-N	236.399	4.742	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC1CCC2(CC1)CC2	2003191093	NGDNYHIJEIBRIG-CQSZACIVSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C(=O)CC[C@H](C)C(C)(C)C)cc1	2003648456	XYXDTIAMOPMJQO-ZDUSSCGKSA-N	232.367	4.640	0	10	BJAE	
CN[C@H](CC1=CCCCCCC1)c1cccs1	2003680760	OENVNSYRMDTFRG-CQSZACIVSA-N	249.423	4.679	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C(CCC)CCC	2004235363	YMWHBEOOFGKWTN-MRXNPFEDSA-N	239.447	4.927	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@H](N)C1(C)CCCCCCC1	2006765755	UPJIXDNKAFVLLR-KFWWJZLASA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](NC)[C@H]1CCC[C@@H]1C(C)C	2007616004	OERRYJNIKIGFOJ-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC[C@@H](C(=O)C2(C)CCC(C)(C)CC2)C1	2007681401	KMLKIERFNOQFGO-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H]([C@H](C)CC)C1(C)CCC(C)CC1	2007691034	LUTFGRYZEQYAPE-LVDPKSTMSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](N)C1(C)CCC(C)CC1	2007694220	GYUOUXYYESCLLT-BBBYJDLNSA-N	239.447	4.747	0	10	BJAE	
CCC1(C(=O)CC2CC(C(C)C)C2)CCCC1	2007772417	HDTUIBTXXBEGIK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC=C(C)[C@@H](NCCC)C1CCCCCCC1	2007861452	OJEHYCWJGFERQF-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H]1C(=O)CC[C@H]1CC1CCC(C)(C)CC1	2009239649	ZLYXEQJKQLVKAO-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
C[C@H]1C[C@H](CCC2(C)CC2)Nc2ccccc21	2009549895	VWMHBBGWAACPET-STQMWFEESA-N	229.367	4.555	0	10	BJAE	
C/C=C/CCC[C@@H](N)C1(CC(C)C)CCCC1	2009618714	DZQGNODDTZJJPR-MBVDDHJVSA-N	237.431	4.667	0	10	BJAE	
CC=CCCC[C@H](NCCC)[C@H](C)C(C)(C)C	2009630893	YHQDPLUWUKDFPM-GJZGRUSLSA-N	239.447	4.783	0	10	BJAE	
CCCCC[C@](C)(O)C1=CC[C@@H](C(C)C)CC1	2010718932	LEBIBIGJUWZXPH-ZBFHGGJFSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CC1=CC[C@@H](CC)CC1)C(C)(C)C	2010770294	XNPQUGXHXKMBKT-UKRRQHHQSA-N	237.431	4.537	0	10	BJAE	
C[C@H](C(=O)CC1CC(=C2CCC2)C1)C(C)(C)C	2011065468	BKYINYBKKLSVMF-LLVKDONJSA-N	234.383	4.518	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)[C@H]1CCC2(CC2)C1	2011646496	IDPZQNQXSKWPPW-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@@H]2CC(=O)CC(C)(C)C2)C1	2012084425	OFQPRYZEZQVFGQ-HZSPNIEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CCC(C(C)C)C(C)C	2015360587	JRABYWUQEPVIQP-ZBFHGGJFSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@@H](C)C[C@@](C)(CNC(C)(C)C)C(C)C	2015400561	QMDRMTFQFFTJSW-HOCLYGCPSA-N	241.463	4.719	0	10	BJAE	
CCNC[C@@H](CC(C(C)C)C(C)C)C(C)(C)C	2015413326	UMIULRNUYIRJKH-CQSZACIVSA-N	241.463	4.577	0	10	BJAE	
CCCN[C@H](C(CC)CC)C1(CC(C)C)CC1	2015754474	FEERWSJRFBFDOL-OAHLLOKOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)CCC(C(C)C)C(C)C	2016830539	IBQCLUBZJJICOL-KBPBESRZSA-N	238.415	4.700	0	10	BJAE	
CC1([C@@H](N)CC2(C(C)(C)C)CCC2)CCCC1	2017122848	FTUMADWUGBBJLR-ZDUSSCGKSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)C1(C(C)(C)C)CCC1	2017133630	VCSJQGGRTZPOTG-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC[C@@H](CC(C)C)[C@@H](N)CC1(C(C)C)CCC1	2017147288	BDNXANDXMRJBHA-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CC(C)=C(C)CN(C)[C@@H](C)C1(C)CCCCC1	2017466213	KNUOQTFMOJAQIP-HNNXBMFYSA-N	237.431	4.633	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@H]1CC[C@H](CCC)CC1	2017655524	NSCMAFKHKRSGJC-KKUMJFAQSA-N	238.415	4.988	0	10	BJAE	
CCCC1CCC(C=C(C)[C@@H](N)C(C)C)CC1	2017739941	YBJIVPWMKBSZIR-GPANFISMSA-N	237.431	4.523	0	10	BJAE	
Cc1cc(C(=O)C23CCC(CC2)CC3)sc1C	2017980843	BZEBECHXBHFLGG-UHFFFAOYSA-N	248.391	4.518	0	10	BJAE	
CCC1(C[C@]2(N)CCC[C@@H](C(C)C)CC2)CC1	2018982303	KRWBSQKVADFWLG-ZBFHGGJFSA-N	237.431	4.501	0	10	BJAE	
CCCCN(C1CCCC1)[C@@H]1C=CCCCC1	2020534532	SAIDQGJIFQJNIY-OAHLLOKOSA-N	235.415	4.530	0	10	BJAE	
C/C=C/CCCN(CCCC)C1CCCCC1	2020535028	AHDJCFFCAMRZHL-HWKANZROSA-N	237.431	4.778	0	10	BJAE	
C[C@H]1CC[C@H](Nc2ccccc2C2CCC2)C1	2021027375	XXJASFPZXGHDAR-JSGCOSHPSA-N	229.367	4.555	0	10	BJAE	
CCCC[C@H](C)N[C@H]1C[C@H]1C1CCCCCC1	2022438599	GQGDFILTEXPFOF-BPUTZDHNSA-N	237.431	4.514	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@@H]1C=CCCC1	2026082415	QGJJQYGFDHMMCR-LSDHHAIUSA-N	236.399	4.908	0	10	BJAE	
CN[C@H](CC1(C)CCCCC1)c1cc(C)oc1C	2027311604	MKKOGDVIIBCBBC-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CCc1ccccc1[C@@H](O)CC1(C)CCCCC1	2027312771	YUTDSRXBPZJUIL-INIZCTEOSA-N	246.394	4.643	0	10	BJAE	
CCN[C@H](CCC[C@@H]1CC1(C)C)c1ccccc1	2027843443	QRAUMEPRUABLDK-HZPDHXFCSA-N	245.410	4.554	0	10	BJAE	
CCCc1ccccc1CNc1cccc(C)c1	2027902050	UBLPDIKGPBJWQB-UHFFFAOYSA-N	239.362	4.560	0	10	BJAE	
Cc1ccc(C(=O)[C@H](CC(C)C)C(C)C)c(C)c1	2028257409	JFTLZEABGXBXMV-MRXNPFEDSA-N	246.394	4.804	0	10	BJAE	
CNC[C@]1(CC2CCC=CCC2)CCC[C@H](C)C1	2028869375	GYHOOWBSANBOCA-DOTOQJQBSA-N	249.442	4.539	0	10	BJAE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C[C@H]1CCCCCC1=O	2029173781	IVUDOSCHCBCQJA-XGUBFFRZSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCCC[C@H]1N1CC[C@@H]1C1CCCCCC1	2031753998	FYUZJRQTAAVMEA-DJIMGWMZSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(C[C@@H]2[C@H]3CCCC[C@H]32)CC1	2032817439	ULZDKFRPAPGOTK-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cc(C)oc1C	2035404263	OZPXJKJQCPKKCK-BJJXKVORSA-N	249.398	4.516	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCC1)C(C)(C)C1CCCC1	2035601185	OJAROHBEWHSSFW-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@@H](N[C@H]2CCCCC23CCC3)CCCCC1	2035861404	GZZUXIDLMVJMKB-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
Cc1ccccc1[C@@H](C)N[C@H](C)[C@@H](C)CC(C)C	2036385175	UHSRRQWFLCVQPO-ARFHVFGLSA-N	247.426	4.716	0	10	BJAE	
C[C@H]1CCC[C@H](n2ccnc2C2CCCCC2)C1	2036777037	VJAWXBAQBNGRPO-ZFWWWQNUSA-N	246.398	4.682	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H]1C[C@H]2C=C[C@H]1CC2	2037159375	NGZIJFXEQRPNHV-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CC1(CCCC2(N)C[C@H]3CCCCC[C@@H]3C2)CC1	2037175701	IHRDQJAYLGQPAH-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1[C@@H]1CCC2(CCCC2)C1	2037704167	QDSRYXFYGPOULR-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCCC(C)(C)C1CC1)c1ccccc1	2038133704	KIUNHCJUSBYPCO-MRXNPFEDSA-N	245.410	4.554	0	10	BJAE	
C[C@@](O)(CCCC1=CCCCC1)c1ccccc1	2038165771	HLIDKHRXAXYDRY-QGZVFWFLSA-N	244.378	4.565	0	10	BJAE	
CC(C)CC[C@]1(CNC2CC2)CC12CCCCC2	2039006638	RPOLGNSEAIIIFN-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CCC[C@H](C)CC1	2039370005	MXFXABJXEYHYHB-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
CC1CCC(CC2(N)CC3(CC(C)(C)C3)C2)CC1	2039461751	JXELJVGTAYMJDX-UHFFFAOYSA-N	249.442	4.501	0	10	BJAE	
CCCNC[C@@H]1C[C@@]12CCCC1(CCCCC1)C2	2040765842	WJMQPAIXDQMUKO-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
C1CCCCCC(N[C@@H]2[C@H]3CC[C@H]32)CCCCC1	2041937065	HKCIIWKWQNUQNK-FVQHAEBGSA-N	249.442	4.658	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)C[C@H]1CCC=CCCC1	2045314269	IJTMJVWJSHZVGR-GVDBMIGSSA-N	249.442	4.811	0	10	BJAE	
CCN(C[C@H](C)CC(C)(C)C)c1ccc(C)cc1	2046575566	RIYSQVLCAWOTTO-OAHLLOKOSA-N	247.426	4.894	0	10	BJAE	
CCCN[C@@H](CC1=CCCCC1)C1CC(CC)C1	2048592769	GANRTDJTBMVESX-PREGVCBESA-N	249.442	4.681	0	10	BJAE	
CC(C)(C(=O)[C@H]1[C@H]2CCCC[C@H]21)C1CCCCC1	2049197426	HLJMTSUGHABORF-QDMKHBRRSA-N	248.410	4.598	0	10	BJAE	
CN[C@H](C1=CCCCCC1)[C@@H]1CCCC(C)(C)C1	2049499124	RABOHIZJCPKKHH-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C[C@H](N[C@H](C)c1ccco1)[C@@H]1CCCC(C)(C)C1	2049528954	MVGLCMVQLITSSQ-BFHYXJOUSA-N	249.398	4.535	0	10	BJAE	
C[C@](N)(C[C@H]1CCCC2(CC2)C1)C1CCCCC1	2049864340	IYIQJIDERFNQJA-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
C[C@H](C(=O)C[C@@H]1CCC2(CC2)C1)C1CCCCC1	2049930388	SVNGYQRQCAJPES-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H](Nc1ccccc1C(C)(C)C)C1(C)CCC1	2052349425	QUZYSXVEFVKLNK-CYBMUJFWSA-N	245.410	4.975	0	10	BJAE	
CC1CCC(C)([C@@H](N)C[C@@H]2CC23CCCC3)CC1	2056559157	PMVPAPJCADURPP-FYRZTWFESA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C=C1CCCCC1)C1(C)CCC(C)CC1	2056880001	YIXHTWXUGRRKFQ-ARWYELJZSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](C=C1CCCCC1)[C@H]1CCCC[C@H]1C	2056880987	CFDODILWBZUNQC-HYVNUMGLSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@H](N2CC[C@@]23CCCC(C)(C)C3)C1	2058157387	XULDYOBVZUFXPA-WMLDXEAASA-N	249.442	4.610	0	10	BJAE	
CCCCC1CC(NCC2(C3CCCC3)CC2)C1	2059395097	GSHBWZQKVCQEHP-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC1CC(N[C@H](C2CCCC2)C2CCC2)C1	2059395239	IHKQFHACMJSJMB-QWFMPGPPSA-N	249.442	4.514	0	10	BJAE	
Fc1cc(Cl)cc(Sc2ccccc2)c1	2060342447	AYPQAPDMBUXFDU-UHFFFAOYSA-N	238.714	4.630	0	10	BJAE	
CC[C@@H]1CCC[C@@]1(N)C1=CC[C@@H](C(C)(C)C)CC1	2061112136	CJUDJFACCCAJPT-CPUCHLNUSA-N	249.442	4.667	0	10	BJAE	
C[C@H]1C[C@@H]1CCCNc1ccc2ccccc2c1	2062650532	DYBVOYIVZFKKQV-ZFWWWQNUSA-N	239.362	4.688	0	10	BJAE	
O[C@@]1(CCC2CCCCC2)C=CCC2(CCC2)C1	2063685635	YUNCDCRGBXZFND-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(CC23CCC(CC2)CC3)C1	2065340399	VYQTTYCXXLUKHE-WXLSXGNJSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCC[C@H](c2ccc(C3CCC3)cc2)N1	2066376372	SYCGNZXSSZDOQC-DLBZAZTESA-N	243.394	4.547	0	10	BJAE	
CN[C@H](CC(C(C)C)C(C)C)c1ccccc1C	2068820299	QANABHDWUVJPDI-QGZVFWFLSA-N	247.426	4.574	0	10	BJAE	
CC(C)=CCC[C@H](C)NC[C@@H]1C[C@@H]2CCCC[C@@H]21	2070399981	UHVGYJUOHRABTI-QAETUUGQSA-N	249.442	4.537	0	10	BJAE	
CC(C)C1(C[C@@]2(N)C[C@@H]3CCCC[C@@H]3C2)CCC1	2071941318	SBDZVEKSVDZABM-QLPKVWCKSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](NC)C2CC=CC2)CC1	2072792466	AGMPSOCDUZSDHG-ZOBUZTSGSA-N	249.442	4.537	0	10	BJAE	
CCCC1(C[C@]2(N)C[C@H]3CCCC[C@@]3(C)C2)CC1	2074629538	PUPLTWVXCMGGFC-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CN([C@@H]1C=CCCCCC1)[C@H]1CCCC(C)(C)C1	2074809409	KCDCNOPPNVIDSW-CVEARBPZSA-N	249.442	4.776	0	10	BJAE	
C[C@H](C1CC(C)(C)C1)N(C)[C@H]1C=CCCCCC1	2074811040	SVRGKIBRCZMGDK-ZBFHGGJFSA-N	249.442	4.632	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N1CCC2(CCCC2)CC1	2074898401	CITRSNBVUUQRCO-CVEARBPZSA-N	249.442	4.611	0	10	BJAE	
CCC1(CC)CCCN([C@@H]2C=CCCCC2)CC1	2075411587	XNQVSAZGBVUXTK-MRXNPFEDSA-N	249.442	4.778	0	10	BJAE	
CC(C)CN(C1CCCCCC1)[C@@H]1C=CCCC1	2076544831	APUUSRNWQLOGLS-QGZVFWFLSA-N	249.442	4.776	0	10	BJAE	
CCC[C@H]1C[C@H]1CNc1ccc(C2CCC2)cc1	2079643217	WOLLZCQMHRGXPL-HOTGVXAUSA-N	243.394	4.802	0	10	BJAE	
CC1(CC[C@@H](N)[C@H]2C[C@H]2C2CCCCCC2)CC1	2079795379	WGEGQOAYSCRELU-HRCADAONSA-N	249.442	4.501	0	10	BJAE	
CCc1ccccc1[C@@](C)(N)CCC(C)=C(C)C	2081213898	AUMVEWMHJXUGMM-KRWDZBQOSA-N	245.410	4.559	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1cccc(C(C)(C)C)c1	2083551005	TZLCVTPGBZTQGY-OAHLLOKOSA-N	248.410	4.844	0	10	BJAE	
CCCC[C@](C)(N)CCCCCCC1CC1	2210524927	JTHLVUFREILUKB-HNNXBMFYSA-N	225.420	4.645	0	10	BJAE	
CC(C)C[C@H](C=CCCCCCC1CC1)CN	2213578666	OMTVPTLYURTHEO-INIZCTEOSA-N	237.431	4.524	0	10	BJAE	
CCCN[C@H](CCC[C@H]1C[C@H]1CC)C(C)(C)C	2215246443	IXOJRENDXIZPQV-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC(N)(CC2(C)CC(C)(C)C2)CC1	2215384635	FOIPJKCFSLYHJC-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCCCCC[C@H](NC)[C@]1(C)CC=C(C)CC1	2215814528	QRCGWPWLVNNKKN-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC1=CC[C@](C)([C@@H](N)c2c(C)csc2C)CC1	2215817328	RCNFHJOYGVOPAM-GJZGRUSLSA-N	249.423	4.501	0	10	BJAE	
CCC[C@H](C)C[C@@H](CNC1CCC1)CC(C)C	2217124672	JMPCZAHFFJGBQJ-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC1(CNC2CCC2)CCCC1	2217129460	OGDHQBJIWNWCKM-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)NC[C@H](CC)CC(C(C)C)C(C)C	2217147787	MMTVUVHEQJKHGL-LSDHHAIUSA-N	241.463	4.719	0	10	BJAE	
CC[C@@H]1C[C@H]1CCC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2220961867	OTIRYHHFJMMBJP-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC(C)(C[C@H]2CCc3ccccc3N2)C1	2221033500	LWEDFWNKXNIDCY-CQSZACIVSA-N	243.394	4.630	0	10	BJAE	
CC1(C)CC(C)(CC(=O)C2C[C@H]3CCC[C@@H]3C2)C1	2221083928	OFLUVCSEGLYSRR-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC(=O)[C@@H](CC2(C)CC3(CCC3)C2)CC1	2221085882	KTEDVVGYLPEZHK-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
CC1(CC(=O)C2(C)CCCCC2)CC2(CCC2)C1	2221086601	SYXRHOHSLURTFS-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CC1=CC[C@@](C)(CN[C@H](C)C2CC(C)(C)C2)CC1	2221643211	ALNWAHBRSSYCSB-RHSMWYFYSA-N	249.442	4.537	0	10	BJAE	
Cc1cccc(C)c1C(=O)[C@@H](C)C1CCCCC1	2221934348	YDMCZOAETJSQFQ-AWEZNQCLSA-N	244.378	4.703	0	10	BJAE	
CC[C@H](C)NC[C@H](CCC(C)C)c1ccccc1	2223591721	CWOBKPLLOJDFEE-RDJZCZTQSA-N	247.426	4.595	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)c1cccc2ccoc12	2224183792	YFBPVHMKQYLMMP-RISCZKNCSA-N	245.366	4.505	0	10	BJAE	
CC[C@@H](O)CCCC[C@@H](C)CCCC(C)C	2244844938	ITFQRPPJBJGEPX-HUUCEWRRSA-N	228.420	4.780	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@@H]1CC[C@H]1CCC[C@@H](C)C1	2246662369	GMMLASCZRCIHJH-LXTVHRRPSA-N	236.399	4.598	0	10	BJAE	
CC(C)C1(C(=O)CC[C@@H]2CCC[C@H](C)C2)CC1	2246667301	XXHKDPSBOXEUAG-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H](N)CCC1CCCC1	2247131023	ZLBXPRFMSZUSOJ-VNQPRFMTSA-N	237.431	4.501	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)C1(C)CC(C)(C)C1	2247162053	FUCHXEWBXNSNFI-STQMWFEESA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C[C@H](N)C[C@@H]1CCC1(C)C)C(C)(C)C	2247308876	HFYLTSNWWXNAAM-RDBSUJKOSA-N	239.447	4.602	0	10	BJAE	
CC1=CC[C@](C)(C(=O)C[C@@H]2CCC2(C)C)CC1	2247401717	WHVYVXRUBAEYQI-BBRMVZONSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@H](CC[C@H]1CCC1(C)C)CC(C)C	2247436072	WLJZULWJHRDBTA-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CC(C)CC[C@](C)(N)CC[C@H]1CCCC12CC2	2247601800	MMNDKPLOVJDECO-CABCVRRESA-N	237.431	4.501	0	10	BJAE	
O=C(CCCC1CCC1)c1csc(C2CC2)c1	2248071430	WQLNIZDYOFFJHT-UHFFFAOYSA-N	248.391	4.779	0	10	BJAE	
CCCN[C@H](CC)CCCCCC[C@@H]1C[C@@H]1C	2248805618	BOEPPJGPGWBROD-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CC(C)C[C@H](C)N(C)CCCCC[C@@H]1C[C@H]1C	2248839394	CPPDRQMGQQCOIX-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@](C)(N)C1(C)CCC1	2248866633	QPZAZCMYIZVAID-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](CC)CN[C@@]1(C)CCCCC1(C)C	2250381109	LAAISCZSANMVFB-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)CC1CC(CC(=O)C2CCCC2)C1	2251569977	FLWCBTOZSQVZKG-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1(CC[C@@H](N)CC[C@H]2CCCCC23CC3)CC1	2253783736	NOCQTGVCEQGLBU-CABCVRRESA-N	249.442	4.645	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCCC12CC2)CC1(C)CC1	2253808124	DFCFOFAHVSNODR-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C[C@@H](N)CC1CC2(CCCC2)C1)C1CC1	2254105913	IKCCMPIIPZVSAZ-HNNXBMFYSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H]1CCc2ccccc2N1	2254580493	PFGZEBWIRLOPMU-FVQBIDKESA-N	243.394	4.630	0	10	BJAE	
CC1(C)CCC(C(=O)C[C@@H]2CCC23CCC3)CC1	2255010400	RVHCZHZXTHOKHE-AWEZNQCLSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@H]1C[C@@H]1C(C)C	2255098949	CAUIHYALDINUIZ-IXDOHACOSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H](NCC[C@@H]2CCCC23CC3)CC1	2255236045	MZVVCFQLPUEEBY-PMPSAXMXSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](Nc1cccc(C2CC2)c1)[C@@H]1CC12CCC2	2256446047	IMMDQYAVWBIZLE-WBMJQRKESA-N	241.378	4.555	0	10	BJAE	
Cc1cc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc(C)c1C	2258240031	SWEBOCJPNIGFKW-XQAQDONZSA-N	245.410	4.848	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1cc(C2CC2)ccc1F	2259141949	GLCRBOZUXLEPSX-LLVKDONJSA-N	249.373	4.940	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@]12CCC[C@@H]1CC2	2260579005	OOABXPRYUSHMQU-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCCC1([C@H](C[C@]23CCCC[C@@H]2CC3)NC)CC1	2260680691	YVDCRFKEFPHXOG-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
Cc1occc1C(=O)CC1CC(CC(C)(C)C)C1	2261251480	ZMWOEJVMSYVPSW-UHFFFAOYSA-N	248.366	4.623	0	10	BJAE	
Cc1cccc(F)c1N[C@@H](C)CCCC(C)C	2298841192	AEFGKFSLSCCNIQ-ZDUSSCGKSA-N	237.362	4.761	0	10	BJAE	
CC[C@@H]1CCC[C@@](O)([C@H](C)CC2CCC2)CC1	2298848668	DFKWXUNAIDHEDR-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(F)CNc1cc(C(C)C)ccc1C	2300460151	WHRSQDGKEXDUKG-UHFFFAOYSA-N	235.346	4.794	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H]1CC12CCCCC2	2300503548	NOOKZSFMNWVGLO-HUUCEWRRSA-N	237.431	4.514	0	10	BJAE	
CCC(CC)CC[C@H](N)c1cccc(C)c1C	2300684142	QVCIXIOHIDMCAK-INIZCTEOSA-N	233.399	4.520	0	10	BJAE	
CCC(CC)CC[C@@H]1C[C@H](CC)C[C@@H](NC)C1	2300689517	YRVXWBRUKGCBKA-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(=CCC(C)(C)C[C@@H](C)O)CCCC(C)C	2300864416	AFRGDLQUGWDXPN-OAHLLOKOSA-N	240.431	4.946	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)C(=O)C1CCC(C)(C)CC1	2301954493	ABGYDNATMRKIBG-OLZOCXBDSA-N	238.415	4.700	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)C1CCC(C)(C)CC1	2301954495	ABGYDNATMRKIBG-STQMWFEESA-N	238.415	4.700	0	10	BJAE	
CC[C@@H]1CCCCN1CCCC1=CCCCC1	2302354057	MTSMNXQKXSGHDE-MRXNPFEDSA-N	235.415	4.532	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)(C)C1)CC(C)(C)C	2302675488	LSGGFAHLOUWGDH-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC[C@@H](CC(=O)[C@]2(C)C=CCCC2)C1	2302756413	SYWDOMJOMSDJBZ-XJKSGUPXSA-N	234.383	4.518	0	10	BJAE	
CC(C)=C(C)CC[C@H](O)[C@@H]1CC[C@H]1C(C)(C)C	2303361542	LKIROJLJJNFVIM-KFWWJZLASA-N	238.415	4.556	0	10	BJAE	
CC1=C(C)C[C@@H](CC(=O)C2CC(C)(C)C2)CC1	2303583949	NRNWCWVXVBOLLR-ZDUSSCGKSA-N	234.383	4.518	0	10	BJAE	
C/C=C/CCC[C@H](N)c1cccc(C(C)C)c1	2303665568	JZNGXHWKEUHOAG-APHBUQMISA-N	231.383	4.556	0	10	BJAE	
CCCC1(c2nc([C@H]3CC34CCC4)cs2)CC1	2304500856	VBZSHDHZAURFRK-LLVKDONJSA-N	247.407	4.632	0	10	BJAE	
CC[C@H](C)C[C@H](N)c1cc(C)ccc1C(C)C	2307505218	ICEOECKZUXMCPI-LRDDRELGSA-N	233.399	4.554	0	10	BJAE	
CCC[C@@H](CC)C[C@@]1(O)C[C@@H]2CCCC[C@@H]2C1	2307847397	ZYOFZPXAPTUCFF-WCVJEAGWSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCC(C)(C)C[C@H]1NC	2307898143	HVLDDULCHNUZEZ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)CCC1=CCCCC1	2307901111	HPXPVFQLJNIKBB-GOEBONIOSA-N	237.431	4.811	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C[C@@H]1CCC[C@@H]2C[C@H]12	2307907623	MOEUVIALVUBRSQ-HLPPOEQASA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H]1CC(=O)[C@@H]1C[C@@H]1C1CCCCC1	2311526190	WMMKUHWLVXENIH-SLBVQIDZSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CC[C@H](O)C[C@H](C)c1ccccc1	2316244034	VRSYFZHGOWBWOQ-YOEHRIQHSA-N	248.410	4.758	0	10	BJAE	
CC[C@@H](C)[C@H](C)C(=O)c1ccc(F)cc1C1CC1	2317104532	XSCWCMPVLFULOO-MNOVXSKESA-N	248.341	4.568	0	10	BJAE	
CC(C)c1ccc(CN[C@H](C)[C@H](C)C(C)C)cc1	2317668693	ZZHTVWWHOMRBBI-HUUCEWRRSA-N	247.426	4.580	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)CCC1=CCCCC1	2317948153	KHKLJMKDYQSHFF-ZBFHGGJFSA-N	248.410	4.908	0	10	BJAE	
CCCCCCc1ccc2c(c1)CCC(C)(C)O2	2318389542	OYXVJVWQPRWXRH-UHFFFAOYSA-N	246.394	4.913	0	10	BJAE	
CCc1ccc([C@H](N)CCCC2=CCCCC2)o1	2318562487	WNTJYYDAWRHOOD-OAHLLOKOSA-N	247.382	4.513	0	10	BJAE	
C[C@H]([C@@H]1CC1(C)C)N(C)CCCC1=CCCCC1	2318595538	QNWHCSQDTUUIGB-ZBFHGGJFSA-N	249.442	4.633	0	10	BJAE	
O=C(CCC1CCCC1)CC[C@H]1CC[C@@H]1C1CC1	2319691541	ZKQLOEADLSTZRD-DOTOQJQBSA-N	248.410	4.742	0	10	BJAE	
CC(=C[C@@H]1CC[C@H]1C(C)(C)C)c1cccc(N)c1	2320252165	GIUJNNOKCPPBJR-GOEBONIOSA-N	243.394	4.744	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(CN)CCCC[C@H]2C)CC1	2320326421	FKHOPKYYCUVTBR-ZACQAIPSSA-N	249.442	4.668	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@H](N)CCC2CC(C)C2)CC1	2320389373	ZROCOFLEJRZKNX-XEXHBRLRSA-N	249.442	4.667	0	10	BJAE	
O[C@](CCCC1=CCCCC1)(CC1CC1)C1CC1	2320622485	AQYWFWHAOCJRBF-QGZVFWFLSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)C[C@@H](C)C2CC2)c1	2327677217	GPUJRHFOYSAFDS-CXAGYDPISA-N	246.394	4.588	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC[C@@H]3C[C@@H]3C2)c1F	2327778665	SMSFHPXKIPCDSV-UPJWGTAASA-N	247.357	4.550	0	10	BJAE	
CC(C)c1cccc(N[C@H]2CC[C@H]3C[C@@H]2C3)c1F	2327806999	ABCWLFLAVQISNT-SCRDCRAPSA-N	247.357	4.550	0	10	BJAE	
CCCC[C@H](CC)CNC[C@H](C)c1ccccc1	19230336	ZKWGQOQYGBPQTI-HOTGVXAUSA-N	247.426	4.596	0	10	BJAE	
CCCCCCN[C@H](C)c1ccccc1Cl	21039840	KTEQYQCTLHSYMT-GFCCVEGCSA-N	239.790	4.571	0	10	BJAE	
CCC[C@@H](C)CN[C@H](CC(C)C)c1ccccc1	37042746	KUQCPAXIXLCURY-NVXWUHKLSA-N	247.426	4.800	0	10	BJAE	
CCCC[C@H](N[C@H](C)CCC)c1ccccc1	37189511	BACDXOGEYADEMY-ZBFHGGJFSA-N	233.399	4.696	0	10	BJAE	
CCCCN[C@H](C)c1sc2ccccc2c1C	37197978	HOKJDJKODTWZTF-GFCCVEGCSA-N	247.407	4.660	0	10	BJAE	
C[C@H]1CC[C@H](C(C)(C)CC2CCCC2)C(=O)C1	69405101	QDDZXOSDMNSIBK-JSGCOSHPSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@@H](CC[C@H](C)CCC)C(C)(C)C	71083938	PXLYRPSHIAGCGJ-KGLIPLIRSA-N	227.436	4.617	0	10	BJAE	
CCCCCCN[C@@H](C)c1ccc(CC)s1	71085721	BQXOFHNFVLXKAZ-LBPRGKRZSA-N	239.428	4.541	0	10	BJAE	
CCC(CC)(CCC(C)(C)C)CNC(C)C	71128050	FXSRQKZWDKFBLJ-UHFFFAOYSA-N	227.436	4.617	0	10	BJAE	
CC(C)c1ccc(CCCC(=O)C(C)(C)C)cc1	80384969	JLCKNQIPJZSGLI-UHFFFAOYSA-N	246.394	4.748	0	10	BJAE	
CCCCCC[C@@H]1CCCC[C@@H](NCCC)C1	80415314	RTGUJRJGCZCUNG-HZPDHXFCSA-N	239.447	4.905	0	10	BJAE	
CCN[C@H](C)CC(C)(C)C1CCC(CC)CC1	85083062	QXWIZPIZRLNMJG-WLYUNCDWSA-N	239.447	4.617	0	10	BJAE	
CSc1ccccc1N[C@H]1CCC[C@H](C)CC1	86882029	OWNOWIQIOXSLCI-STQMWFEESA-N	249.423	4.789	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@H](Nc2ccccc2F)CC1	86922636	HMBDIDOWANUKNC-ZIAGYGMSSA-N	249.373	4.843	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1CCC[C@@H](CCC)CC1	86946073	QLTIABSIHFPQCC-OWCLPIDISA-N	239.447	4.904	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)c2ccc(C)cc2C)C1	87988328	ODDHXPLOIKFULP-UXLLHSPISA-N	245.410	4.520	0	10	BJAE	
CCCN[C@H](c1ccc(C)o1)C1(CC)CCCC1	94900934	YPQHVPTZLZWYER-OAHLLOKOSA-N	249.398	4.599	0	10	BJAE	
CC/C=C\C[C@H](CC)c1cccc(OC)c1	107539895	YVQCDJXNVRERTM-FWWRYZNZSA-N	218.340	4.545	0	10	BJAE	
C/C(=C/C=C\c1ccccc1)c1ccccc1	109044086	KIHWPIBJULXNGT-FFYBSVHWSA-N	220.315	4.803	0	10	BJAE	
CC[C@H](C)Oc1cccc(N[C@@H](CC)C(C)C)c1	109948586	QVZDMIJVXGGUPD-BBRMVZONSA-N	249.398	4.710	0	10	BJAE	
CCC[C@@H](C)C[C@@](C)(CCC)CNCC(C)C	110203729	XSFCOBUNCUCUKZ-HZPDHXFCSA-N	241.463	4.865	0	10	BJAE	
CCC(CC)[C@H](C)N[C@H](CC)c1ccccc1	111666014	VERARLRBZNSWCW-XJKSGUPXSA-N	233.399	4.552	0	10	BJAE	
C[C@H]1CCCCC[C@H]1NCCC1CCCCC1	125111065	ZEPVYTDQBDJSJR-GOEBONIOSA-N	237.431	4.515	0	10	BJAE	
Cc1cccc([C@H](C)N[C@H]2CCC[C@H](C)CC2)c1	160188451	SAOPVHSNMUCCQI-QRTARXTBSA-N	245.410	4.614	0	10	BJAE	
Cc1cc(C)cc(C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)c1	166035547	JJXKUINNJFTMQS-RBSFLKMASA-N	244.378	4.558	0	10	BJAE	
CCCCC[C@@H](C)/C=C\c1ccccc1O	209938770	NVNCCSQBEUDTOZ-YLGBQOPLSA-N	218.340	4.622	0	10	BJAE	
CCCN[C@H](CCC)[C@H]1CCCC[C@@H]1C(C)C	212824757	IXUHVMZHPQHAKK-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
Cc1ccc(N[C@H]2CC[C@@H](C)[C@@H](C)C2)cc1C	220568899	WIXBAGNIWRYZIA-INWMFGNUSA-N	231.383	4.540	0	10	BJAE	
CC1(C)CCCC[C@@H]1[C@H](N)C1CCCCCC1	226878975	MMEMVDOEBUPOPE-HUUCEWRRSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H]([C@H]1CCC[C@@H](CC)C1)C(C)(C)C	226997107	GFYIFFIHSYIHPV-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](NC[C@H]1CC[C@@H](C)C1)c1ccccc1	230406126	ODEQJENBXHIQQG-VYDXJSESSA-N	245.410	4.554	0	10	BJAE	
CC(C)CCCN[C@H]1CCC[C@@H](CC(C)C)C1	230770129	MJJZTRQMWRMNRX-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCCC[C@]1(O)C1=CCCCCCC1	232789024	WRNNIGZWBBNNCV-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
CCCCC1CCC(C(=O)[C@H](C)CCC)CC1	232921127	IJXLYJYIACYVBN-WLYUNCDWSA-N	238.415	4.988	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)C1CCCC1	233161149	DHWVUOYPUZADGU-KRWDZBQOSA-N	249.442	4.825	0	10	BJAE	
CCC[C@H](C)C[C@@H](NCC)[C@@H](C)c1ccccc1	233333179	IJGCJYVMQYGTCG-YQQAZPJKSA-N	247.426	4.595	0	10	BJAE	
N[C@H](CCC1CCCCC1)C1=CCCCCCC1	236311342	NZMYTYVPOYWEER-QGZVFWFLSA-N	249.442	4.955	0	10	BJAE	
CC(C)CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	253184832	HSWZUDSUBUXUJM-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)c1ccc(C[C@@H](C)C#N)cc1Cl	260527407	HKZUGZINENTOTA-LLVKDONJSA-N	249.785	4.946	0	10	BJAE	
CC(C)(C)CCC[C@@H](O)c1ccccc1Cl	300795936	DCMUVZMGDAUGGI-CYBMUJFWSA-N	240.774	4.590	0	10	BJAE	
C[C@H]1CCC[C@](O)(CCC2CCCCC2)CC1	302237301	BCFIUJQFQTYACF-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCOc1csc2cc(Cl)c(Cl)cc12	306534877	FIZVEJZKHCTPIN-UHFFFAOYSA-N	247.146	4.607	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](NC)c1ccccc1C	308047595	IKLNNEIFODJGEC-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](N)c1ccc(C)cc1C	308048120	FCUWMCGFRWPYOE-WBVHZDCISA-N	247.426	4.766	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CCC(C)C)NCC	308064953	XONYAYIEEKGEGS-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCCN[C@H]([C@@H](C)CCC)[C@H](CC)CC(C)C	308105913	VMYWXYFVFFNHMC-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CC1(C)CCC(C(=O)CC2(C)CCCC2)CC1	310283275	PXKMCGAYTDHSSY-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H](C)C1)c1ccccc1	311060113	YXCCRUZMKYSZDY-BFYDXBDKSA-N	245.410	4.554	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@H](N)c1cc2ccccc2s1	319545993	IVFKFNGOSUHTHC-PGUXBMHVSA-N	247.407	4.583	0	10	BJAE	
CC(C)[C@@H](N[C@@H](C)CCC(C)(C)C)C1CCC1	324615786	AGXFIJYHOVWEII-DZGCQCFKSA-N	239.447	4.616	0	10	BJAE	
CC(C)CC[C@H](C)N[C@@H]1CCCC12CCCC2	328262207	LPXOZMCEBNINGJ-LSDHHAIUSA-N	237.431	4.514	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)CC2CCCCC2)CC1	328483238	SFJFYNRTJJBFEM-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
C[C@H](CCC(=O)C1CCCC1)C1CCCCC1	380045341	TVDAYRLOKDTKST-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)(C)c1ccccc1N[C@@H]1CCC[C@H]2C[C@@H]21	381092942	NDZGASOFDJYQPF-KCQAQPDRSA-N	243.394	4.585	0	10	BJAE	
CCCC[C@@H](C)[C@@H](N)c1csc2ccccc12	383120630	FXFHYXNODVGRNS-IAQYHMDHSA-N	247.407	4.727	0	10	BJAE	
CCN[C@@H](c1cocc1C)C1CCCCCCC1	385149946	CVXKHYCHJCBCKA-MRXNPFEDSA-N	249.398	4.599	0	10	BJAE	
CC(C)(C)C(C)(C)CNCCC1=CCCCC1	385190968	OKESRDGQZZCOQK-UHFFFAOYSA-N	237.431	4.539	0	10	BJAE	
C[C@@H](Cn1ccc2ccccc21)C1CCCCC1	386583359	AVCRMWAXBJEXBA-AWEZNQCLSA-N	241.378	4.858	0	10	BJAE	
CC(C)C[C@H](C)C[C@H](O)c1csc(Cl)c1	393909440	MABYPNDOYKCTKM-ONGXEEELSA-N	246.803	4.507	0	10	BJAE	
CCC(C)(C)CNc1cccc(C(F)(F)F)c1	394625803	FWGDKIFUHIBTTP-UHFFFAOYSA-N	245.288	4.554	0	10	BJAE	
CCC(/C=C(/CO)C1CCCCC1)(CC)CC	395225155	OASMMYVUQHGUND-QINSGFPZSA-N	238.415	4.702	0	10	BJAE	
CCc1csc2cc(C(F)F)c(F)cc12	396215824	OGXYYJAYMMGJAE-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NCCC=C(C)C)CC1	397764970	YDVGVHROFNHPGF-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](CC1=CCCC1)[C@H]1CC[C@H](CC)CC1	401142814	WLWHFHCRJVXZMT-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CCN[C@@H]1CCC(C)(C)C[C@H]1C	686307203	VXNOJGYYKNGDQM-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCC2=CCCCC2)C1	690297729	CNNWRASFQOYCGG-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
CNCC1(CCC2CCCCC2)CC2(CCC2)C1	691372915	QLCMXKZCKAPBFW-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
Cc1ccc(F)c(N[C@H]2CCCC[C@H]2C2CC2)c1	696108082	YCYAPFOCTKLZSJ-ZFWWWQNUSA-N	247.357	4.515	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NC1C[C@H]2CC[C@H](C1)C2	697961713	DKMBSXZDBOKAPL-QBYUYEEZSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](C)C[C@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C	699051459	MGUVHOCJJWTVSF-KNCOVGOOSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@H](CCCC(C)(C)C)[C@@]1(C)C[C@@H]1C	704359279	MSZCWRWMPOLHQH-LZWOXQAQSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](N)c1cc2ccccc2o1	708250867	JGUPTRBNYUEJAC-ABAIWWIYSA-N	245.366	4.505	0	10	BJAE	
CCN[C@@H](c1cccc(C)c1)[C@H](C)CC(C)(C)C	708257446	YKCHLAARKWWLOB-GDBMZVCRSA-N	247.426	4.718	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H](C)CC(C)(C)C	708285692	JNPRVGRQEZYFQG-HUUCEWRRSA-N	241.463	4.993	0	10	BJAE	
C[C@@H](CC(=O)[C@H](C)CC(C)(C)C)c1ccccc1	709116706	GRTPKOKCGAQPIV-UONOGXRCSA-N	246.394	4.822	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@@]1(O)CCCC12CCC2	709133129	YIPIZUKFLPPXQL-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CC[C@](N)(C[C@@H](C)CC(C)(C)C)C1CCCC1	709158622	CQZDZGOJXFEJEN-BBRMVZONSA-N	239.447	4.747	0	10	BJAE	
CN[C@H](CCC1CCCC1)C12CCC(CC1)CC2	710046339	HJUFNLKNVMKYCS-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CCCCCC[C@@]1(O)CC(C)(C)CC[C@@H]1C	713022236	FBQPMQMNSAUDDU-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CC(C)C(C)(C)CNc1ccc(F)c(Cl)c1	713129728	MEPNAQFHMHMSLB-UHFFFAOYSA-N	243.753	4.573	0	10	BJAE	
CCCN[C@H](CC(C)(C)C)[C@@H](CC)CC(C)C	713173072	CXBOSCWUNVVIEE-LSDHHAIUSA-N	241.463	4.863	0	10	BJAE	
C1CCC(CCN[C@@H]2CC[C@@H]3CCCC[C@@H]32)CC1	714317374	XCZSLFGBGZIUMP-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C/C=C/[C@@H](C)Cc1cc(CC)ccc1CC	714530918	RZXRMFXFHYEWGD-OQHXTRMZSA-N	216.368	4.566	0	10	BJAE	
CC(F)(F)CCC[C@@H](O)CCC1CCCCC1	718701529	DXNADAKLIIIBPT-CYBMUJFWSA-N	248.357	4.533	0	10	BJAE	
CC1=CCC[C@H](C)[C@H]1CNc1cccc(Cl)c1	1308231822	BZMYVBHXMXGWFO-WFASDCNBSA-N	249.785	4.744	0	10	BJAE	
CCCC1CCC(CN[C@@]2(C)CC=CCC2)CC1	1474176847	WIGZEXXPBIOSHM-JCYILVPMSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CCCC[C@H]1NC[C@@H]1CCC=CCCC1	1474745775	IKIVZUKXTUHRLN-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
C/C(=C/Cl)CS[C@H](C)c1cccc(F)c1	1652796696	FLZPSYQPZUORKR-UJICNMFASA-N	244.762	4.763	0	10	BJAE	
CCC1(CC)CCC(NCC2(C3CC3)CC2)CC1	1656975276	WDMCJMHPGKEYTL-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCCc1ccc(C)c(Cl)c1	1885373154	LMVAVCSSYPXDRM-ONEGZZNKSA-N	208.732	4.547	0	10	BJAE	
CCN[C@@H](CCCCC(CC)CC)C(C)C	1900693370	NGPCLTSYBZTYCZ-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CCCCC1CC(O)(C[C@H](CC)CCC)C1	1905396970	AZUDHUIZCDVASB-WLYUNCDWSA-N	226.404	4.534	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H](NCC)C(C)(CC)CC	1910736522	RKRHHXQLIMUSFK-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@H](C)[C@@H]2CC(C)(C)[C@H]2CC1	1911531628	SITKOPDZOGHVLY-XUXIUFHCSA-N	208.389	4.885	0	10	BJAE	
CCC[C@@H](C)C=C(CNCC)C1CCCCC1	1911818354	RFTJMWAVBOPVTN-CQSZACIVSA-N	237.431	4.539	0	10	BJAE	
CCC(C)(C)C[C@@H]1CCCCCCCC[C@@H]1O	1913387653	BTMUJKFZFNDYCR-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CCCC1(CN[C@H]2CCC3(CCCC3)C2)CCC1	1916402107	LWZOPDIEOONNCO-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CCC(C)(C)CC[C@@]1(O)CCC2(CCCC2)C1	1916413991	BRNUAMKVBNREDK-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCc1ccc([C@@](C)(O)CC(C)(C)CC)cc1	1920021292	GKGRWYSIDHBLBT-KRWDZBQOSA-N	248.410	4.673	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1CCC[C@@H]1C	1920195901	FKEOVTHCNUMRSM-ZNMIVQPWSA-N	225.420	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](NC[C@@H]2CCCC23CCC3)CC1	1921601004	GKOCYVVURPLSEQ-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](N)CCCCCCC(C)C	1933337827	IUHSSEOGSGFYCL-AWEZNQCLSA-N	213.409	4.501	0	10	BJAE	
CCC(CC)C(=O)c1cccc2sccc12	1938277765	IWGNYZUYKWYDEH-UHFFFAOYSA-N	232.348	4.520	0	10	BJAE	
CCN[C@H](CCCC1CCC1)CCC1(C)CC1	1940789997	IJBYKHGHZKKZBM-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCN[C@@H](CC1CCC=CCC1)C[C@H](C)CC	1941812954	FIPSIUIEFIXVAX-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
Cc1cccc(NC2CC(C3CCC3)C2)c1Cl	1942146090	PNCGQEUVCLBEOC-UHFFFAOYSA-N	249.785	4.639	0	10	BJAE	
CCCNC[C@@]1(C[C@H](C)CC)CCCC1(C)C	1944486048	MYHKITLDGTXLDL-ZBFHGGJFSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@@H](C)C[C@@H](N)C(C)(C)C1CCCC1	1944639582	GVZRQKBRUFYKND-UKRRQHHQSA-N	239.447	4.602	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNc1ccc2sccc2c1	1944820450	MNPYFJYUKLLCRU-YPMHNXCESA-N	245.391	4.749	0	10	BJAE	
O=C1CCCC[C@@H](c2cccc3sccc23)C1	1945964152	ZYYHTLZKSAMJED-LLVKDONJSA-N	244.359	4.518	0	10	BJAE	
CCCCC1(NCC(C)(C)C2CCCC2)CC1	1946167791	VDFHPTKZFJBUNB-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCC(CCC)[C@H](NCC)C1CC(C)(C)C1	1948156411	WOCVOGJLIKGIOZ-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](C)CC[C@H]1CCC2(CCCC2)C1	1949551854	NHTXBNDLCHFXAI-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC(C)(C)CC[C@@H](CC1CC(C)(C)C1)NC	1949736422	PIGAKHQDUYCHRB-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](CCC1(O)CCCCC1)C1CCCCC1	1949931714	UBSUUWXJRKZQPH-AWEZNQCLSA-N	238.415	4.678	0	10	BJAE	
CC1(C)CCC[C@](CN)(CC2(C)CCC2)CC1	1950920115	SELFNJAVKUCFGE-MRXNPFEDSA-N	237.431	4.502	0	10	BJAE	
CC(C)=CCC[C@@H](N)[C@H]1CCCC(C)(C)CC1	1950920177	SPXLQLFFNHXHCM-LSDHHAIUSA-N	237.431	4.667	0	10	BJAE	
CC1(CCCC(=O)c2cc(Cl)cs2)CC1	1958191043	NOCCZIDXOIXJRX-UHFFFAOYSA-N	242.771	4.555	0	10	BJAE	
Cc1ccc(C)c(NCC2C[C@H](C)C[C@@H](C)C2)c1	1968229158	CSOYGJGXZFYKBY-ZIAGYGMSSA-N	245.410	4.788	0	10	BJAE	
CC[C@@H](N[C@@H]1CCCCC12CC2)C1CCCCC1	1972724486	GPMRDAUIFPFWRE-HZPDHXFCSA-N	249.442	4.658	0	10	BJAE	
CC(C)(C)C(=O)CC[C@H]1CCC=CCCC1	1978271698	DXCVQIXLKNHZMA-ZDUSSCGKSA-N	222.372	4.518	0	10	BJAE	
CCCC[C@H](NCCC)C(CC)(CC)CC	1978587923	XCUCJFFIOLCHFZ-AWEZNQCLSA-N	227.436	4.761	0	10	BJAE	
CCC[C@@H](C)C(=O)C1(C)CCC(C)(C)CC1	1983313410	AWEVOKNEFMDPPX-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCCCC(C)(C)N[C@H]1CCC[C@@H](CC)C1	1987101098	DMKPVJQNEXULEM-KGLIPLIRSA-N	225.420	4.514	0	10	BJAE	
CCC(C)(C)[C@H](C)Nc1ccc(Cl)c(F)c1	1989823093	BLEQRMYBNGNUCU-VIFPVBQESA-N	243.753	4.716	0	10	BJAE	
CCCCC[C@](N)(CC)[C@H]1CCC[C@H](C)C1	1990090013	UJJCEGFYDBOZOD-SOUVJXGZSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@@H](C)CCC	1990813978	MMBHTNPSDARLQI-GJZGRUSLSA-N	227.436	4.713	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)CCCC(C)(C)C	1990839920	ZALGZJNDMBQGRE-ZDUSSCGKSA-N	227.436	4.569	0	10	BJAE	
CCCN[C@H](CCC)[C@@H](CC)C1CCCCC1	1996592706	CTPMAGGZNBYPTG-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC(C)(C)C[C@](C)(O)C[C@@H]1CCC=CCCC1	2000010712	GXTMGDHNCFHGDE-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@](C)(CNCC)C[C@@H]1C=CCCC1	2000506597	BMARZHUNFBOQBE-CVEARBPZSA-N	237.431	4.539	0	10	BJAE	
CCCNC[C@](C)(CCC)CC1(CC)CCC1	2000519662	YEIJDEVVCDIOKP-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@H]1CC12CCCC2	2001252422	AXNNZZFHAFNQRE-HUUCEWRRSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@](O)(CC)C[C@@]1(C)CCCC1(F)F	2002576699	OCPSEKPADQAUTC-CHWSQXEVSA-N	248.357	4.533	0	10	BJAE	
CCC(C)(C)CCN[C@H](C)[C@H]1CCC[C@@H](C)C1	2002999866	XSHWIYOPIVHUQA-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC/C=C/CN[C@H](C)[C@@H]1CCCC(C)(C)C1	2003016628	HHOFOYADWVKMQR-FHFZEBMASA-N	237.431	4.537	0	10	BJAE	
CCCCC[C@H]1CC[C@H]([C@@H](N)CC(C)C)CC1	2003067298	QKLGDVVTXRLMIV-JYJNAYRXSA-N	239.447	4.747	0	10	BJAE	
Cc1ccccc1[C@@H](N)CCCCC(C)(C)C	2003645723	JQDATADJBASSTH-HNNXBMFYSA-N	233.399	4.601	0	10	BJAE	
CCC[C@H](C)C[C@]1(CO)CCCCC12CCC2	2005579413	JDMVKJMEUYKVPC-HOCLYGCPSA-N	238.415	4.536	0	10	BJAE	
CC[C@H](C)c1ccc(O[C@@H]2CCC[C@@H]2C)cc1	2006726278	MHELUKSFQCQKQW-HEHGZKQESA-N	232.367	4.768	0	10	BJAE	
C[C@@H]1C(=O)CCC[C@H]1C[C@@H](C)C1CCCCC1	2006986813	FQGHYGRELARQMR-IPYPFGDCSA-N	236.399	4.598	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C[C@H](C)CC	2007934254	IHMGVLDZZQIOGC-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCC(C)(C)CCC(=O)C1(C2CC2)CCCC1	2008473582	PXWINTJFOSUMQR-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CCC[C@@H]1N[C@H](C)C[C@@H]1C1CCCCCCC1	2009067479	PDNASNXIGCJQQM-BMFZPTHFSA-N	237.431	4.514	0	10	BJAE	
CC=CCCC[C@]1(O)C[C@@H](C)CC[C@H]1C(C)C	2009594756	SWTJQELSFGIMTG-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
C/C=C/CCCCc1cc2ccccc2cn1	2009595530	KMJZEQWSTDGIPC-NSCUHMNNSA-N	225.335	4.524	0	10	BJAE	
C/C=C/CCC[C@](C)(CCCC)CNC(C)C	2009626253	DWZVOZOGLLGBLZ-BVBGJJFLSA-N	239.447	4.927	0	10	BJAE	
CCCC1CC(Nc2cccc(C(F)F)c2)C1	2009715613	HLQGNXHXJRRYAT-UHFFFAOYSA-N	239.309	4.615	0	10	BJAE	
CCCCCC1CC(N)(CC[C@H]2CC2(C)C)C1	2009787602	QNUGJFZNPNSWHL-BBBYJDLNSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CC=C([C@@](C)(O)[C@H](C)CC(C)C)CC1	2010714698	ADKJEDDPZOWOKH-FMKPAKJESA-N	238.415	4.556	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)C1=CCC(C)(C)CC1	2010714753	JFQDZAOJGIFVAI-OCCSQVGLSA-N	238.415	4.556	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@H](N)c2cccs2)CC1	2010729009	KTHBFTMZRRGXCL-JSGCOSHPSA-N	249.423	4.521	0	10	BJAE	
CSc1ccc(N[C@@H](C)C2(C)CCCC2)cc1	2014330665	FAKAAKSNMQOVAH-LBPRGKRZSA-N	249.423	4.789	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@@H]1C[C@@H](C)C(C)C	2015407448	AXRLJWCJKHPKHX-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C1(C[C@@]2(O)CCCC2(C)C)CCC1	2017113844	FTLXJSABPYSOQS-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CC(C)=C(C)C[C@@]1(CNC(C)C)CCC[C@@H]1C	2017467304	VJYLOQFPMOAVRE-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)CC2CCC2)CC1	2017722152	DPRLVMALSGMSQF-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)C[C@H](C)C(F)F	2018135039	VCOJUZAKULNYHU-AVGNSLFASA-N	249.389	4.615	0	10	BJAE	
CCCN[C@H](CC1(CC)CC1)C1CCCCC1	2018996849	WPGHWCHPDRXUQH-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC(C)CCCCCN1C[C@H](C)C[C@H](C)[C@H]1C	2019341434	ANIVHFSODMCCKA-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
CCC1(C)CCC(O)(C[C@H](C)C2CCC2)CC1	2019778981	MLUWUOREDWTLBA-JEYLPNPQSA-N	238.415	4.534	0	10	BJAE	
Cc1cscc1NC[C@H]1C[C@H]1C1CCCCC1	2022488787	FHLLTQBFUHEAFH-KGLIPLIRSA-N	249.423	4.685	0	10	BJAE	
CCCN[C@H]1CC(C)(C)C[C@H]1CCC(C)(C)C	2023613346	RNDKNGTZRWTIJX-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)CN[C@H]1CC(C)(C)C1(C)C	2025017496	BGGDWYBPWGEGHC-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)=C(C)CCN(C)C[C@H]1CCCC2(CC2)C1	2027023740	OWWPOCFKMYKLDL-INIZCTEOSA-N	249.442	4.635	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](NC)c1cccc(C2CC2)c1	2028555472	UJLNDIQNNYRPAR-IRXDYDNUSA-N	245.410	4.507	0	10	BJAE	
CC(C)(C)CC[C@@](C)(O)c1cccc(C2CC2)c1	2028560162	NORBRYQFIJHEEZ-QGZVFWFLSA-N	246.394	4.598	0	10	BJAE	
CCN[C@@H](c1cc(C)ccc1C)C(C)(C)C(C)C	2032347442	XDGDKSDMBCHGKW-INIZCTEOSA-N	247.426	4.636	0	10	BJAE	
C1CCC(CCN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1	2033068516	LRYHMSMQTSBGEO-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
O[C@@]1(C[C@H]2C=CCCC2)CCCCC12CCCC2	2035600708	QGUKJGMWMIZVNK-DOTOQJQBSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1C[C@H](n2ccnc2C2CCCC2)CC[C@H]1C	2036775403	DUOBMHFWROPVLU-VNHYZAJKSA-N	246.398	4.538	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@@H]1CCC2(CC2)C1	2038572514	QPUNTZXWXJDXOC-CYBMUJFWSA-N	242.362	4.573	0	10	BJAE	
C[C@@H](NC1CC(C2CCC2)C1)C1(C)CCCCC1	2039846551	MUIYNONTUPMAPK-IUDNXUCKSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H](N[C@@H](C)CC1=CCCCC1)c1ccco1	2043189772	DLEFSXGXOJBCLX-DZGCQCFKSA-N	247.382	4.599	0	10	BJAE	
C[C@H]1CC[C@@H](C)C[C@@H]1N[C@H](C)CC1=CCCCC1	2043194918	QAQDDHNIKBSLSS-DLTWYDFYSA-N	249.442	4.680	0	10	BJAE	
C[C@H]1C[C@@H]1c1ccc(C(=O)CCCC(C)(C)C)o1	2045561663	HDELSGYTLKENFB-RYUDHWBXSA-N	248.366	4.802	0	10	BJAE	
CCN(CCC[C@H]1CC1(C)C)c1ccc(C)cc1	2046568922	QSKFFNYUNKNULL-HNNXBMFYSA-N	245.410	4.648	0	10	BJAE	
N[C@@H](C[C@H]1CCC12CCC2)C1=CCCCCCC1	2047938756	ILNHXGOBLHZMBB-CVEARBPZSA-N	247.426	4.565	0	10	BJAE	
C[C@H](C[C@@H]1[C@H]2CCCCC[C@H]21)c1cccc(N)c1	2048488856	QRALJGGWHPFRQP-VZEFYGNVSA-N	243.394	4.589	0	10	BJAE	
CC1(C[C@]2(N)CCCC[C@H]2C2CCCCC2)CC1	2048878920	DFNWKWJAWSQQFG-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC[C@@H]([C@](C)(N)C[C@@H]2CC=CCC2)C1	2049539826	JPUSXRZMPUDTAR-BFYDXBDKSA-N	249.442	4.667	0	10	BJAE	
N[C@H](CC1=CCCCC1)C[C@@H]1CCCC2(CC2)C1	2049850655	ZJKSPPCMGBAAAZ-JKSUJKDBSA-N	247.426	4.565	0	10	BJAE	
CC(C)(C[C@H](N)CC1CCC2(CC1)CC2)C1CC1	2049864757	KMPNVZHCHBYQNE-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](C[C@H](C)C1CCCCC1)[C@@]1(C)C=CCC1	2050006679	ARYGIKYXOPIWMU-UAGQMJEPSA-N	249.442	4.537	0	10	BJAE	
CC1([C@H](N)C[C@@H]2C[C@H]3C[C@H]3C2)CCCCCCC1	2052479737	PGIWUXGVWJSBBX-QKPAOTATSA-N	249.442	4.501	0	10	BJAE	
CC(C)(CN[C@@H]1CCCCC12CC2)C1CCCC1	2053332502	OYLZXAJRMVRHCB-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CN(CCCCCC1CC1)[C@H]1CCCCC12CC2	2053437176	TUWNTJYQDGGZRE-INIZCTEOSA-N	249.442	4.611	0	10	BJAE	
C[C@H]1CCCC[C@]1(CNC(C)(C)C)C1CC=CC1	2053694808	PRAQSPDVDUNEJL-WMLDXEAASA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)C[C@@](C)(F)CC3	2053856652	ORQJBSTTYTUENJ-INIZCTEOSA-N	245.341	4.508	0	10	BJAE	
CCN[C@@H](CCC1(C)CC1)[C@H]1CCCCC12CC2	2059172863	PFYVDFCIVWQBKV-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC2CC2)CC[C@@H](CC)C1	2059258550	HNFPNSMQQFOKIY-YEICVZNQSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C1=CC[C@H](C)CC1)[C@]1(C)CC1(C)C	2060928869	IEWPLMHFXXWXRP-LXZKKBNFSA-N	249.442	4.537	0	10	BJAE	
CN[C@H](C1=CC[C@H](C(C)C)CC1)C1CCCCC1	2061089035	QIYXUZKHNBSBFT-YOEHRIQHSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CC=C(C[C@@H](O)c2ccccc2C)CC1	2061100175	VDKUODGJIZIPKI-RHSMWYFYSA-N	244.378	4.555	0	10	BJAE	
CC[C@@H]1CC=C(C[C@H](N)c2ccc(C)cc2)CC1	2061144950	VFBIHBABUGIIEU-PBHICJAKSA-N	243.394	4.521	0	10	BJAE	
CCC1([C@H](CC[C@@]23CCC[C@@H]2C3)NC)CCCC1	2061625313	DEAXARAQCFDXGL-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C)C[C@@H](C)CC1CC(=C2CCC2)C1	2061727921	CXKCRWGNMRKRFJ-KGLIPLIRSA-N	249.442	4.681	0	10	BJAE	
CC[C@H]1CCCC[C@H]1C(=O)C12CCCC1CCC2	2063850824	HCCCFDBOBYBJJO-UJEKJILKSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC12CCC(CC1)CC2	2065262151	GTPGDJDIXSEJQN-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)CC12CCC(CC1)CC2	2065285125	BLZJIGXUXCVRJO-HCEZTOJASA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(N)(C1CCCC1)C1CCCC1	2065935031	PAMMRPKHFZXZCW-CJNGLKHVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068767817	IZMSCDVMLHZKCY-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CCCC1(CC[C@H](NC)c2ccccc2)CCC1	2069337955	QXUDBTAPAJOBNZ-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
C1CCCCC(N[C@@H]2CCC3CC2C3)CCCC1	2069353054	ISOPDKFBHQDZLY-VMBOVVBDSA-N	249.442	4.658	0	10	BJAE	
c1cc(NC[C@]23CCC[C@@H]2C3)cc(C2CCC2)c1	2070805019	SPPFVBNCUOBHKH-NVXWUHKLSA-N	241.378	4.556	0	10	BJAE	
CC(C)[C@@H]1CCCCC[C@H]1N[C@@H](C)C1CC=CC1	2070809685	CDJDWMZSDMEYLI-BHYGNILZSA-N	249.442	4.536	0	10	BJAE	
Cc1ccccc1[C@H](N)CCC1(C(C)C)CCC1	2071941943	YXAIJDRLXKFSFH-MRXNPFEDSA-N	245.410	4.601	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)CC[C@H]1C[C@H]1C	2072089658	DIBOZHMAVUKYMO-PVAVHDDUSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@H](C(C)=C(C)C)C1CC(CC2CC2)C1	2072424347	KRYYMJFOXPGALS-OFLPRAFFSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(C)c([C@@H](O)C[C@H]2CC[C@H](C)CC2)c1	2072668541	CBAGUKLSEZSPCI-NUTKFTJISA-N	246.394	4.553	0	10	BJAE	
CCC[C@H]1CC[C@H](C=C2CCNCC2(C)C)CC1	2072820406	HXTMRNTXGNNAQW-SHTZXODSSA-N	249.442	4.539	0	10	BJAE	
CCCNCC1(C[C@@]23CCCC[C@@H]2C3)CCCC1	2074033827	NOGTVVWQQTUSLF-WBVHZDCISA-N	249.442	4.517	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H](N)C[C@]12CCCC[C@H]1C2	2074094107	JOBSNOVAJCPGMD-JSRQGNBESA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H]1CCNC2(CCCCC2)C1	2074140541	BZUYXLAFWGSNPM-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CN(CC1(C)CCCCC1)[C@H]1C=CCCCCC1	2074798956	GUYKZUSZRFBMDM-INIZCTEOSA-N	249.442	4.778	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@@H]2CCC23CCCC3)C1	2074900410	QUDYQHITFKKJTE-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CCCN(Cc1ccc(C(C)C)cc1)C1CCC1	2076762046	SRZWCZRXDKENRI-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
c1ccc(C2CC2)c(N[C@@H]2C[C@H]3CCCC[C@@H]32)c1	2077264993	GXRZHBLXQJGZAB-UKPHBRMFSA-N	241.378	4.555	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC=CCCC1)[C@H]1C[C@@H]1CC	2079219178	AOBYTGUUDPAYAY-QZWWFDLISA-N	249.442	4.537	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@H]1C[C@H]1C1CCCCC1	2079429422	WRLCGMFLUYAPCA-YESZJQIVSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CC[C@]1(N)C[C@H]1C[C@@H]1C1CCCCCC1	2079831974	LWOCJDRPMVMTDZ-VQHPVUNQSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H]2C[C@@H]2C2CCCCC2)C1=O	2082843897	QKEXFMBVJBSZEK-DTZQCDIJSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H](N)C2CC3(CCC3)C2)C1	2082977122	WRKKJQROZBWPKN-ZFWWWQNUSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@H]2CCCNC23CCCCC3)C1	2083815508	GLYOFUZTUFPDDN-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CC1(C)C[C@@H]1[C@](C)(N)CCCCCCC1CC1	2213574812	YOEAPFJKEZPBFT-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@]1(O)CCCCC1CC1	2214572566	FHCSSDOLSJYFDZ-CVEARBPZSA-N	238.415	4.678	0	10	BJAE	
CCCCCCN[C@@H]1CCC[C@H](C(C)(C)C)C1	2216259627	UWSAYQIFSZRQJR-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CC(C)[C@H](N)[C@H](C)CCCCCCCC1CC1	2216879866	NZOOGVXATQYQEC-ZBFHGGJFSA-N	239.447	4.747	0	10	BJAE	
CCC(C)(C)[C@H](O)CCCCCCCC1CC1	2216903411	YSCJZGWICDRNGO-OAHLLOKOSA-N	240.431	4.924	0	10	BJAE	
CC[C@](C)(CNC1CCC1)C[C@@H](C)C(C)(C)C	2217123744	AXVAWRYQZVRWCY-CJNGLKHVSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC(=O)C[C@H](C)c1ccccc1	2220965513	ZWBZEQTXGLRSRQ-LZWOXQAQSA-N	244.378	4.576	0	10	BJAE	
CC(C)C[C@]1(CC2(C)CC3(CCC3)C2)CCCN1	2221013655	MDODYXCCQBXSIR-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@H](CNCCCCCCC2CC2)CC1	2221618103	FVBVWOFBLVVKDF-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CN[C@@H](CC1(C)CCCC1)[C@@]1(C)CC=C(C)CC1	2221626731	SZZTZVZFXARZRI-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)=C(C)CNC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2222949153	MZDSZCWBCBNRKF-ZACQAIPSSA-N	249.442	4.539	0	10	BJAE	
N[C@H](CCCCCCCC1CC1)C1(C2CC2)CC1	2223132980	QPWQWVAGPPYFSG-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)Nc1c(C)cc(O)cc1C	2223336858	YSSTYBQCZGLFIO-RISCZKNCSA-N	249.398	4.636	0	10	BJAE	
CCCC[C@@]1(CNC2CCC2)CCCCC12CC2	2223564474	XHMGYAHTLODNOG-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
C/C=C/CCCc1nc(C)cc2sccc12	2244248881	RTMFJYLMBVPIEK-ONEGZZNKSA-N	231.364	4.504	0	10	BJAE	
CCN[C@@H](CCC(C)(C)C)CC1(C)CC(C)C1	2246453298	CEKMQPYDAGQVOY-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CC=C(C)C)CC[C@@H]1CCC[C@H](C)C1	2246677113	AWQPFLPBCKOHHB-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
C[C@H]1CCC[C@H](CCNC(C)(C)C(C)(C)C)C1	2246688027	RZBBWNAJQYIHOM-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@H]1CCCCCCC1=O	2247118125	GIVBTHJLKRLKNC-QLFBSQMISA-N	236.399	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](O)CCC1(C)CC1	2248842913	SCFZBLKPVBQCJA-RBSFLKMASA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)c1cccc(NCC2=CCCC2)c1	2249295876	BGZAIZFPLMAGCT-UHFFFAOYSA-N	229.367	4.506	0	10	BJAE	
Cc1cc(C(=O)C[C@]23CCC[C@@H]2CC3)c(C)s1	2251163428	QLGBYSISPJGEFB-IUODEOHRSA-N	248.391	4.518	0	10	BJAE	
CC(C)(C)CCC[C@H]1CCN[C@H](C(C)(C)C)C1	2251257646	MJDOYXMLYXNVBB-KBPBESRZSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@H](N)C1CC(CC(C)(C)C)C1	2251540224	ZLFGALNDILQBNU-YMAMQOFZSA-N	239.447	4.747	0	10	BJAE	
CC[C@@H](C)CCN[C@H]1CC(C)(C)CCC1(C)C	2251675644	UFOWRAZCWZZBKI-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc2c1N[C@@H](C[C@@H](C)C(C)(C)C)CC2	2253865505	PMUKTPMGJYWEDY-UKRRQHHQSA-N	245.410	4.794	0	10	BJAE	
C[C@H]1CCC[C@H](CCC(=O)C2CC3(CCC3)C2)C1	2253939280	RKNDHCXRPLHKJY-UONOGXRCSA-N	248.410	4.742	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@]1(N)CC1CC2(CCCC2)C1	2254112999	HZBUNXRTBVFQIY-KEYYUXOJSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CCC[C@@]1(N)CC1CC2(CCCC2)C1	2254114110	LFJPGULNNBVLCT-DOTOQJQBSA-N	249.442	4.645	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1C[C@H]2CCCC[C@H]2C1=O	2254507304	AYFJXSUXSWUVIH-YIDVYQOGSA-N	248.410	4.598	0	10	BJAE	
CN[C@@H](CCC1CCC1)CC[C@H]1CCCC12CC2	2255241553	PFJYAMWTXMOYMA-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
N[C@H](CCC[C@@H]1CCCC12CC2)CC1CCCC1	2255265522	DSEWBGPQWHHMNW-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H](C)[C@H]2CC23CCC3)CC1	2256429642	YQMPVHXYBZFRDU-XUWVNRHRSA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](CC)[C@H](N)Cc1ccc(C(C)C)cc1	2259434455	BUMIOPDAGGXULU-DOTOQJQBSA-N	247.426	4.506	0	10	BJAE	
CC[C@@H]1CCCC[C@]1(N)C[C@@]12CCCC[C@H]1CC2	2260677772	HKNFZVGUPGQGKO-QZWWFDLISA-N	249.442	4.645	0	10	BJAE	
CCCC(C)(C)[C@@H](CC[C@@H]1C[C@@H]1CC)NCC	2298126154	NYIIEHFZRJRKDG-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@@](C)(O)C[C@H]1C[C@@H]2CC[C@H]1C2	2298387194	RMGYFXGNOHLNNM-QKPAOTATSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@@H]([C@@H](C)CC1CC1)C(C)(C)CCC	2298858177	MNOCRBWFFGCCJL-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CC(=CCC(=O)[C@H]1CC1(C)C)CCCC(C)C	2300871882	JUZKFNQYULWRBM-CQSZACIVSA-N	236.399	4.764	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(O)[C@H](C)C[C@H]1C	2300974077	JKRCKTUTBZEJQW-RRFJBIMHSA-N	240.431	4.636	0	10	BJAE	
CC(C)C1([C@@H](N)CC2CCCCCC2)CCC1	2301136736	AKNCECKUHXGPHR-HNNXBMFYSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C(C)C)[C@H](CC1CCCCCC1)NC	2301138816	AGKBYYUQLCUKGC-CVEARBPZSA-N	239.447	4.617	0	10	BJAE	
CCCNC[C@H](CC(C)C)[C@@H](C)[C@H](C)C(C)C	2301958689	MWTFSIYGYYATJI-PMPSAXMXSA-N	241.463	4.577	0	10	BJAE	
CC1(C)CC[C@H](C[C@@H](N)C2CCCCCC2)C1	2302749886	BXPPIRPYSZXQMD-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
Clc1cccc(NCC[C@H]2CC[C@@H]2C2CC2)c1	2303158153	BQLAATIMIOFLJJ-IUODEOHRSA-N	249.785	4.578	0	10	BJAE	
Cc1ccccc1NCC[C@@H]1CCC(C)(C)C1	2304419392	AMBUOQBBXFCIGE-AWEZNQCLSA-N	231.383	4.623	0	10	BJAE	
C[C@H](CC(=O)CC[C@H]1CCC(C)(C)C1)C1CC1	2304438458	WMTRHFMVNWLGRQ-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(c2nc([C@H]3CC34CCC4)cs2)C1	2304486648	LEUHBFJDVXWKOZ-LLVKDONJSA-N	247.407	4.704	0	10	BJAE	
CC(C)Sc1cccc(C(=O)CC2CCC2)c1	2307557101	NTTQHNPRGQJZEP-UHFFFAOYSA-N	248.391	4.560	0	10	BJAE	
CCC[C@@H](CC)C[C@H](N)C(C)(C)C1CCCC1	2307897229	AAKIHGKCQIEDPN-HIFRSBDPSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)C1(C)CC2(CCC2)C1	2307909177	JUDWYMZKCQYIOK-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)[C@H]2[C@H]3CCCCC[C@H]32)CC1	2309376788	BDAOBAJZKPQBRZ-JHJNDJDLSA-N	248.410	4.598	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)CC[C@@]12CCC[C@@H]1C2	2310379967	LFYHSJOWQVHYPR-QSJFSLAZSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H](CC1CC1)N[C@@H]1C[C@H]1C1CCCCCC1	2311539405	DIKHFSPQLWZCTH-YESZJQIVSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H](NCC)[C@]1(C)C=CCCC1	2311586175	FMEPGQVQALGPLE-LTIDMASMSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1	2311611258	RLOAVUSYJUSIET-HMDCTGQHSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@H]1C[C@@H]2CC[C@H]1C2	2313031209	PQSZXNUTYXEFJT-OWYFMNJBSA-N	248.410	4.598	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1CC[C@H]2C[C@@H]2C1	2315873499	WJICDPOUHYMXCI-ARFHVFGLSA-N	243.394	4.719	0	10	BJAE	
CCC(C)=CC[C@@](N)(CC(C)C)c1ccccc1	2316536269	LIPBOYDUCBAQHX-QGZVFWFLSA-N	245.410	4.633	0	10	BJAE	
CC(=CC[C@H](N)c1ccccc1)CCCC(C)C	2316561821	DMNIWXLUTLOGMA-KRWDZBQOSA-N	245.410	4.849	0	10	BJAE	
CC(C)=C(C)CC[C@@H](N)[C@H]1C[C@H]2CCC[C@H]1CC2	2316701414	NOSWEYIWZAOOJA-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)[C@@H]1C=CCCC1	2316875000	URKZUBYEQWOTDZ-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@H]1CC12CCCCC2	2316881001	MJASVITXTGMJPB-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
CN[C@H](CC1CCCCCC1)C12CCC(CC1)C2	2316887273	WFSSUGSXRWPZFO-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](N[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1	2316887300	WQAXOFSJMXIPED-HJWJTTGWSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccc([C@@H](N)[C@H](C)[C@@H](C)C(C)C)cc1	2317825169	WBOTZYVGODDDJI-VBQJREDUSA-N	247.426	4.738	0	10	BJAE	
C1=C(CCCN[C@H]2CCC3(CCC3)C2)CCCC1	2318530823	FGXPLZREQRPQPV-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CC1=C(C)C[C@@](N)(CC2CCC(C)(C)CC2)CC1	2320263570	OGOVVQVHWAJEAG-QGZVFWFLSA-N	249.442	4.811	0	10	BJAE	
CCN[C@@H](C[C@H]1CCC(C)=C(C)C1)[C@@H]1C[C@H]1CC	2320399625	XXXCPCRMPPRBEN-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@H](C)[C@H](O)Cc1cccc(C(C)C)c1	2320654463	XVBKTZQLSBXATF-WMLDXEAASA-N	248.410	4.540	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)[C@@H](CC2CC2)C2CC2)CC1	2320810091	HGQAQAJOEXYKPG-KCXAZCMYSA-N	248.410	4.598	0	10	BJAE	
CC(=CC=C1CCN[C@H](C)[C@H]1C)CCCC(C)C	2321308257	KPCBSCIBURCTAE-HZPDHXFCSA-N	249.442	4.703	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(O)CCc1ccccc1	2328203272	ZPXFGPLOWADIGT-DOTOQJQBSA-N	248.410	4.587	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)c1ccc(C2CC2)cc1	2328211694	AVHRCMKKPICLCX-SUMWQHHRSA-N	246.394	4.814	0	10	BJAE	
CC(C)=CCC[C@@]1(C)[C@H]2CC=C(C)[C@@H]1C2	2510648	YMBFCQPIMVLNIU-KKUMJFAQSA-N	204.357	4.725	0	10	BJAE	biogenic,in-vitro
CCc1ccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1	21518863	OHQGDQBHDJSAET-CZUORRHYSA-N	245.410	4.876	0	10	BJAE	
CCCCC[C@@H](NCC)c1ccc(C)c(C)c1	35509321	DSKGKURBCCUECC-MRXNPFEDSA-N	233.399	4.534	0	10	BJAE	
CC[C@@H](N[C@@H](CC(C)C)c1ccccc1)C(C)C	37295194	YFJJSCYSZMRKAH-SJORKVTESA-N	247.426	4.798	0	10	BJAE	
CCCCCC[C@@H]1CCCCC[C@@H]1NCC	82434088	NWBAOOJVONLHFT-CABCVRRESA-N	225.420	4.515	0	10	BJAE	
CCCC(CCC)N[C@@H]1CCC[C@@H](CC)C1	82847504	KIHWQWZODZEQJQ-UKRRQHHQSA-N	225.420	4.514	0	10	BJAE	
CCCCC[C@@H](CC)NCc1cc(C)ccc1C	83377770	QQXGESZGTOBVMQ-QGZVFWFLSA-N	247.426	4.752	0	10	BJAE	
CCCCCN[C@H]1CCC[C@H](CCC)CC1	83437209	NQQDDIOEEUREAW-GJZGRUSLSA-N	225.420	4.515	0	10	BJAE	
CCCCCC[C@](C)(O)c1cccc(Cl)c1	83503072	IJUFWENZYAQHAR-AWEZNQCLSA-N	240.774	4.518	0	10	BJAE	
CSc1ccccc1N[C@H]1CC[C@@H](C)[C@@H](C)C1	84984076	AHFMYRRJVRROME-AGIUHOORSA-N	249.423	4.645	0	10	BJAE	
C[C@H]1C[C@@H](Oc2cccc(Cl)c2)CC[C@H]1C	85150630	KFQATFYKUBJJBY-SUNKGSAMSA-N	238.758	4.544	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC2(C)C)c(Cl)c1	86856068	JLQJBVHEZCJNDQ-ZDUSSCGKSA-N	237.774	4.639	0	10	BJAE	
Cc1ccc(N[C@@H](C)c2ccc(C)c(F)c2)cc1	94836605	RBQUYFIGTRYAQQ-ZDUSSCGKSA-N	243.325	4.616	0	10	BJAE	
CCC[C@H](C)C[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1O	109996546	HOEYZWKIRMFDEQ-XQLPTFJDSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CC[C@H](N[C@H](C)C2CCCCCC2)C1	150103584	GTVJAXADGBXNEB-FMKPAKJESA-N	237.431	4.514	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2CCC(C)(C)C[C@H]2C)c1	155826177	QARZSUPSIIPWCO-ZBFHGGJFSA-N	245.410	4.930	0	10	BJAE	
CC[C@H]1CCC[C@H](N[C@H](C)c2ccc(C)cc2)C1	159897743	VDYLYNNSWAINKB-VYDXJSESSA-N	245.410	4.614	0	10	BJAE	
CCC[C@H](C)C[C@H](CCC1CCCC1)NCC	162153919	GXDWFLGHVLSTRC-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CC1CCC1)c1ccc(C)cc1C	167148344	BFCKUNNWRPYBFP-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
Cc1ccc([C@H](O)[C@@H]2CCCCC2(C)C)c(C)c1	226653515	RCRSRCOSAYQKNO-HOTGVXAUSA-N	246.394	4.553	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)c1ccc(C)c(C)c1	229330337	IBIYPSGRMSRCSY-XIRDDKMYSA-N	245.410	4.520	0	10	BJAE	
CCCCCC[C@@H](O)c1ccc(Cl)cc1C	232939650	IOSUJJQCVFKLCJ-CQSZACIVSA-N	240.774	4.652	0	10	BJAE	
CC1=C[C@@H](C)C[C@@H](CNCC2(C)CCCCC2)C1	235700624	LHCLVAOIOBSLDL-GDBMZVCRSA-N	249.442	4.539	0	10	BJAE	
CC[C@H](C)C[C@@H](C)N[C@H](CC)c1ccccc1	251863893	OUMLXPJTMDTLHR-SQWLQELKSA-N	233.399	4.552	0	10	BJAE	
CC(=O)Cc1cccc(C2CCC(C)(C)CC2)c1	258220411	BCFVKQSBZCQXTG-UHFFFAOYSA-N	244.378	4.502	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1[C@H](C)CC(C)C	302614079	YPCZAGJUWZQVFI-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCc1cc(N[C@@H]2CCCCC2(C)C)ccc1C	306012719	MOAGTDNZVCROBV-MRXNPFEDSA-N	245.410	4.938	0	10	BJAE	
CCc1ccc2sc(SC)cc2c1Cl	306921040	OXYAYUMZVKVEDP-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Fc1sc2cccc(Cl)c2c1C(F)F	307164318	JYSTUYJUNUXQEZ-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](N)CCCC(C)(C)C	308049180	JPZZJYQDZOUNSF-LSDHHAIUSA-N	241.463	4.993	0	10	BJAE	
C[C@H](C[C@](C)(O)CC1CCC1)C1CCCCC1	310470874	IIDFDMQXXCJMAI-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCOc1cccc(NC[C@H](C)C(C)(C)C)c1	310641583	BREFBENYMXEGFF-ZDUSSCGKSA-N	249.398	4.570	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNCC)CCCC[C@H]1C	317496937	KZVGJKKIUIHSHX-XHSDSOJGSA-N	239.447	4.619	0	10	BJAE	
CCCc1nc2ccccc2n1[C@H](C)[C@@H](C)CC	319541545	CHGHRXXMHMVDKQ-QWHCGFSZSA-N	244.382	4.596	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@H](CC1CCCCCC1)NC	319987425	GAKMASBPIVVKNP-OFQRWUPVSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](N[C@H](CC)[C@@H]1C[C@@H]1C)c1ccccc1	322162711	KHLYIIBJJSETEE-SVGFKBNWSA-N	245.410	4.552	0	10	BJAE	
CC[C@@H](Nc1cccc2ccccc12)C1CCC1	322463686	MJYHHLXFHQLIBC-MRXNPFEDSA-N	239.362	4.830	0	10	BJAE	
CCCC[C@H](C)[C@@H](CC1CCCC1)NCCC	379819707	VJORWJQHZARPDK-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCCNCCC1(C)CCCC1	383288170	QKFAFIBQRYQGLT-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
Cc1ccc(F)cc1C(=O)CCC1=CCCCC1	384891279	YGTBBQNBMCAPHF-UHFFFAOYSA-N	246.325	4.597	0	10	BJAE	
CCC[C@H](C)[C@H](CCC1=CCCCC1)NCC	385632007	BJNXXWGMSARKBJ-HOCLYGCPSA-N	237.431	4.681	0	10	BJAE	
CC1(C)CCC(C[C@H](N)CC2=CCCCC2)CC1	386792476	LOOHGFYNKGZYGW-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
C[C@H]1CCC[C@@H](CNc2ccsc2Cl)C1	387201829	HTPMKRZTVPCOFC-VHSXEESVSA-N	243.803	4.640	0	10	BJAE	
Clc1cccc(-c2ccc3ccoc3c2)c1	390482634	LZLYVERYCYCHPR-UHFFFAOYSA-N	228.678	4.753	0	10	BJAE	
CCC1(CN[C@@H](C)CCC(C)(C)C)CCCC1	393866812	PXLXEHSFOQKZOZ-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CC2CCC1CC2	394352995	IELDXARCTLOOTI-LBDPXKHJSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](C)C[C@H](C)NCCCC1CCCCC1	395214494	LSZSPUBLSHNVDM-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1Nc1ccsc1Cl	395638695	JCEMKCPDAQRIIX-ZJUUUORDSA-N	243.803	4.782	0	10	BJAE	
CCOc1cc(C(F)F)c2ccsc2c1C	396252615	UQHFNSLZTXVFQM-UHFFFAOYSA-N	242.290	4.546	0	10	BJAE	
CCc1c(C(F)(F)F)c(C)cc2sccc12	396298594	GIZOPUVVIHAYPZ-UHFFFAOYSA-N	244.281	4.791	0	10	BJAE	
Cc1cc(C(F)(F)F)c2sc(S)cc2c1	396298993	IUNZPKKJUFURAE-UHFFFAOYSA-N	248.294	4.517	0	10	BJAE	
CCCCC[C@H](C)NC[C@H]1CCCC[C@@H]1CC	401964545	RWIRRWMVYJMXPY-HRCADAONSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](CC)Nc1ccc2c(c1)CCCC2	404628937	FPICSYMWNCBPKO-INIZCTEOSA-N	245.410	4.946	0	10	BJAE	
CC(C)(C)[C@H]1CCC(=O)[C@@H](CCCC2CC2)C1	406135296	ZNDXLIMDJJZKPR-KBPBESRZSA-N	236.399	4.598	0	10	BJAE	
CCCC1([C@H](O)CCC2CCCCC2)CCC1	686922281	SJVXPJBZJQWECY-OAHLLOKOSA-N	238.415	4.678	0	10	BJAE	
Cc1ccc(CCC2CC=CC2)c(Cl)c1	692103825	UOWFZYTYMLMHDR-UHFFFAOYSA-N	220.743	4.547	0	10	BJAE	
c1ccc2cc(N[C@@]34CCCC[C@@H]3C4)ccc2c1	693160288	GALQJAUNEGIHNB-NVXWUHKLSA-N	237.346	4.584	0	10	BJAE	
CCc1ccc(C(F)(F)F)cc1C(C)(C)C	694937002	BBBDKCSUQDSJQS-UHFFFAOYSA-N	230.273	4.565	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)c1cccc(C)c1C	696593305	LCDCAXAWJVFCLL-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CCC(C)(C)CCC(=O)C(C(C)C)C(C)C	696665091	RVHPVVZMICHUPV-UHFFFAOYSA-N	226.404	4.700	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)CCC(C)(C)CC)C1	696752153	XCASFEGFBCHYBQ-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CN)C1CCCCC1	696848409	JTNDMDGPFQXWSF-HOCLYGCPSA-N	239.447	4.748	0	10	BJAE	
Cc1cccc(NC2C(C)(C)CCC2(C)C)c1C	699618758	XCKQXWGEKOWKKL-UHFFFAOYSA-N	245.410	4.930	0	10	BJAE	
CCCN[C@H]([C@@H]1CCCC[C@@H]1C)C(C)(C)CC	701150990	LTXOUJGWSMKCNK-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CCC(C)C)C(C)(CC)CC	701164313	AHRSMBXCYPUKCD-CQSZACIVSA-N	227.436	4.617	0	10	BJAE	
C[C@H](CC(C)(C)C)[C@H](O)c1ccc(Cl)s1	704610012	HMSWQAOCYMRHNL-KCJUWKMLSA-N	246.803	4.507	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@@H](C)CC(C)C	709175174	HEMNPLJIXAMTLP-HOCLYGCPSA-N	241.463	4.863	0	10	BJAE	
CC(C)CCC[C@H](N)c1cccc(C(C)(C)C)c1	709510353	RSBKBHCLXQALJZ-INIZCTEOSA-N	247.426	4.810	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1C(=O)C1CCC2(CC1)CC2	709958925	IANLIVMFSHCCTO-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CC[C@H](C[C@@H](N)c1sccc1C)C(C)(C)C	711212909	XARMOXCBBWUACW-VXGBXAGGSA-N	239.428	4.519	0	10	BJAE	
c1cc(N[C@@H]2C[C@@H]3CCCC[C@H]32)cc(C2CC2)c1	712500301	CEUYBJPJIMQPLL-USXIJHARSA-N	241.378	4.555	0	10	BJAE	
CCN[C@@H](CC(C)(C)CC)[C@@H](CC)CC(C)C	713244597	VHLZMZFHGYZKSO-GJZGRUSLSA-N	241.463	4.863	0	10	BJAE	
C[C@H](CC(=O)C1CC(C2CC2)C1)C1CCCCC1	714393796	MHONUMYWFKIJCT-UWTIGNOOSA-N	248.410	4.598	0	10	BJAE	
C/C=C/[C@H](C)Cc1cc(CC)ccc1CC	714530917	RZXRMFXFHYEWGD-LJLILKBBSA-N	216.368	4.566	0	10	BJAE	
Cc1cccc(NCCCCC2CC2)c1Cl	720117707	RHBJCEXWIPCYAE-UHFFFAOYSA-N	237.774	4.641	0	10	BJAE	
CCCCC1CCC(N)(C[C@@H]2C[C@H]2CC)CC1	723131541	RBHDBVWLAOPWRX-FYRZTWFESA-N	237.431	4.501	0	10	BJAE	
Cc1cc(CC2CCCCC2)ccc1Cl	822256284	JDGGHSZWSUQPHA-UHFFFAOYSA-N	222.759	4.771	0	10	BJAE	
CC[C@@H](SCC(C)C)c1ccccc1	1164518298	HKWYSSNGPCEAJL-CYBMUJFWSA-N	208.370	4.527	0	10	BJAE	
C[C@H]1C[C@@H](NC[C@@H]2CCC=CCCC2)CC[C@H]1C	1179764144	NNZUHDRIGSGRJP-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)CCNCc1c(C)cc(C)cc1C	1308504806	MZZGKCMYWVKMTH-CYBMUJFWSA-N	247.426	4.528	0	10	BJAE	
CCCC1(CNC2CCC3(CCC3)CC2)CCC1	1461346414	WEJWCOAVBORMID-UHFFFAOYSA-N	249.442	4.659	0	10	BJAE	
CCCCCCN1CCCC(CC)(CC)CC1	1559753742	RZGDJZANKROPSK-UHFFFAOYSA-N	239.447	4.859	0	10	BJAE	
C/C(=C/Cl)CSC[C@H]1CC2CCC1CC2	1651944564	VYHDGZULTGAWIF-SUXAYZIMSA-N	244.831	4.689	0	10	BJAE	
CCCC[C@](CC)(CC=C(C)CC)CNC	1900823479	RQNXJDTXPDSJMQ-OAHLLOKOSA-N	225.420	4.539	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)CC(CC)CC	1900846012	UNSHRYPVBZIQHF-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC(CC)CC)NC	1905441868	BFIWNFFBXAADND-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
C[C@@H]1C[C@H]1CCCn1ccc2cc(Cl)ccc21	1908537194	JTNUJLMJBGPAFS-VXGBXAGGSA-N	247.769	4.731	0	10	BJAE	
CC(C)CCCCCCNCCC[C@@H]1C[C@H]1C	1908548024	ZHYLSOMLXSCHQY-HZPDHXFCSA-N	239.447	4.619	0	10	BJAE	
CCC[C@H]1CC[C@H](CC[C@@H](N)C(C)(C)C)CC1	1909702614	CQHWTGCHBRARJD-RBSFLKMASA-N	239.447	4.747	0	10	BJAE	
C=CC=CCC[C@H](NC)C1CCC(C(C)C)CC1	1912107665	ANDVMQYQFOCIPT-JCYILVPMSA-N	249.442	4.559	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1CC2(CCCC2)C1	1912637391	IGMXJSCWKDILOZ-MRXNPFEDSA-N	249.442	4.645	0	10	BJAE	
CCN[C@@H](CCC=C(C)C)C1CC2(CCCC2)C1	1912648896	VRCZOGYFIPBCRJ-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@H](NCCC)C1(C)C(C)(C)C1(C)C	1940281918	DYAXPJHRNBFJFO-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CCC[C@H](O)C1(C)C(C)(C)C1(C)C	1940285132	PLKYTGQCYXZLTK-LBPRGKRZSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H](CC[C@H]1CC1(C)C)[C@@H](C)CCC	1940855066	CIGDPHXNPRYDCP-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@H](CCC(C)C)CC1CCC=CCC1	1941818053	OUEHQOZMCCJRDP-MRXNPFEDSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@@H](C)N[C@H]1CC(C)(C)CC2(CC2)C1	1943081954	HPSOWEQNEGUQBO-KGLIPLIRSA-N	237.431	4.514	0	10	BJAE	
CCC[C@@H](C)N[C@H]1CCCCCCCC1(F)F	1947372183	RCZMYHNPIXZDIR-OLZOCXBDSA-N	247.373	4.513	0	10	BJAE	
CCCCCN[C@H]1CCCCCCCC1(F)F	1947372801	YZDXCNRHPJJNGV-ZDUSSCGKSA-N	247.373	4.514	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCC[C@@H]1C(C)C	1947466887	JXASYLWSZQIFPJ-ARFHVFGLSA-N	239.447	4.760	0	10	BJAE	
CC(C)C[C@H](C(=O)C[C@@H]1C=CCCC1)C(C)C	1947558435	JOJZXNQLJYXAMS-CABCVRRESA-N	236.399	4.620	0	10	BJAE	
COCC1(CC[C@@H]2C=CCCC2)CCCCC1	1947568296	BMFIQTNGBOGFIU-OAHLLOKOSA-N	236.399	4.720	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)[C@H]1CC12CCCC2	1948073456	ZNDFFWINYQROQZ-ZNMIVQPWSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)C1=CCCCCC1	1948977889	SXXDTRPSISDJSW-ZBFHGGJFSA-N	235.415	4.565	0	10	BJAE	
CC[C@H]1CCC[C@](N)(CC2(CC)CCC2)CC1	1948981375	QUFZMHIHPZCGEN-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
Cc1ccc(NCC2CC3(CCC3)C2)c(Cl)c1	1949838024	RYDWHHUSFWIMRX-UHFFFAOYSA-N	249.785	4.641	0	10	BJAE	
C[C@@H]1CCC[C@@H](C(=O)CCCC(C)(C)C)CC1	1950930825	RPYGEBYTEXBQQA-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCC=CC[C@@H](CC)c1ccc(OC)cc1C	1951308849	PETXFWPQJCHBSB-CQSZACIVSA-N	232.367	4.854	0	10	BJAE	
CC[C@@H](Nc1ccsc1)C1CCCCC1	1958170166	PXWSZWSGOFKADC-CYBMUJFWSA-N	223.385	4.519	0	10	BJAE	
CCc1cccc(OCC[C@H]2CCC[C@@H](C)C2)c1	1968357095	CCJBQWZQYCXAHM-GDBMZVCRSA-N	246.394	4.844	0	10	BJAE	
CC[C@H](N[C@@H]1CCCC2(CCC2)C1)C1CCCC1	1970931562	IBKHDXNSFRCHPG-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CCC1(CN[C@H]2CCCC3(CCC3)C2)CCCC1	1971014440	LUSBVZOFYJNYLB-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC(C)(CCN[C@@H]1CCCC2(CCC2)C1)C1CC1	1972637235	KQZXMTHIKJFGRT-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)(CC)[C@H](NC)c1cscc1C	1978528116	UDSQYGFSAFCHGW-CYBMUJFWSA-N	239.428	4.533	0	10	BJAE	
CCCN[C@@H](CC[C@@H](C)CC)c1cccs1	1980686592	FBQJRMQEJVANSA-STQMWFEESA-N	239.428	4.615	0	10	BJAE	
CCC[C@@](N)(CC)C[C@H]1CC[C@H](CC)CC1	1989815047	VJQVBGHCRXFLSB-KKUMJFAQSA-N	225.420	4.501	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)C1CCC(C)(C)CC1	1996594003	IZMAYKZBYWIYEY-XJKSGUPXSA-N	239.447	4.747	0	10	BJAE	
CCCc1ccc(NCc2cc(C)cs2)cc1	1996649943	XGDMOFFWIWIGQM-UHFFFAOYSA-N	245.391	4.621	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1N[C@]1(C)CCCCC1(C)C	1997428241	DXWXHZVRDYCUKO-IJEWVQPXSA-N	237.431	4.514	0	10	BJAE	
CC(C)CC[C@@](C)(O)CC1CC(C(C)(C)C)C1	1998259496	TUAOWQMXQUOXLD-ZBCRRDGASA-N	240.431	4.636	0	10	BJAE	
CCCC(N)(CCC)C[C@H]1CCC=CCCC1	1999985706	MBSCCAFUDSZGMG-HNNXBMFYSA-N	237.431	4.811	0	10	BJAE	
CCCC1(C(=O)CCC[C@H]2CC2(C)C)CCC1	2000195393	RNXYRACNCZVAAE-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
CCC(C)(CC)[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2003014750	BWHQCPJDQRMLHW-CZUORRHYSA-N	239.447	4.747	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@]1(C)C=CCC1	2003329909	OIYHSAUDNABDBW-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC1CCC(C)([C@H](N)CC(C)(C)C(C)C)CC1	2007691977	OMQMNCDEOJZSBZ-NPCAHTBFSA-N	239.447	4.602	0	10	BJAE	
C[C@H]1CCC(=O)[C@@H](CC2CCC=CCC2)CC1	2009404505	OAZRPORMGCJQRK-UKRRQHHQSA-N	234.383	4.518	0	10	BJAE	
C/C=C/CCC[C@]1(N)C[C@H](C)CC[C@H]1C(C)C	2009571819	JCCSKOYAJTVNNC-OMJOCJKRSA-N	237.431	4.523	0	10	BJAE	
CC=CCCC[C@]1(CNCC)CCCC1(C)C	2009617294	QWYCGMIEPLIOMA-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC(C)(C)C[C@H](O)C1=CC[C@H](C(C)(C)C)CC1	2010723760	WGBNTUYSUWQAFV-KBPBESRZSA-N	238.415	4.556	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCC[C@H](C(C)C)N1	2013524703	OIVPDEYTNGEAAR-HZPDHXFCSA-N	239.447	4.760	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCN[C@@H]1C(C)(C)C	2014544781	ZLTAVEBSRKMTER-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@](C)(CCC(C(C)C)C(C)C)C(=O)O	2015332977	JZKVOTKZVMBBEC-HNNXBMFYSA-N	242.403	4.586	0	10	BJAE	
CC[C@](CN)(CCC(C(C)C)C(C)C)C(C)C	2015344287	JIVJCKUQFOLUCO-MRXNPFEDSA-N	241.463	4.706	0	10	BJAE	
CCCC1(C[C@H](CC(C)(C)C)NCC)CCC1	2015641804	JAXVBZWNMNEMKG-AWEZNQCLSA-N	239.447	4.761	0	10	BJAE	
CCSc1ccccc1N[C@@H](C)C1CC=CC1	2016327193	NCROUNBIIAPCDO-LBPRGKRZSA-N	247.407	4.565	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)c1csc2ccccc12	2017237571	MYBZRACZHULBGG-WDEREUQCSA-N	244.359	4.520	0	10	BJAE	
CCCC1CCC(C[C@H]2CCCC[C@H]2O)CC1	2017718612	DASPIYJYEVXHPX-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C)C[C@@H](C)CC1CCC(CC)CC1	2017734384	BPQHWBCSUSWRJH-WXLSXGNJSA-N	239.447	4.617	0	10	BJAE	
CCCC1CCC(CC[C@@H](N)[C@@H](C)CC)CC1	2017737141	ZWRTXFZMEMBUQB-SLTXQBBLSA-N	239.447	4.747	0	10	BJAE	
CCCCC[C@](O)(CC)C[C@H]1CCC2(CC2)C1	2018128189	WUTVNMMDSVCPAK-GOEBONIOSA-N	238.415	4.678	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H]1CC2CCC1CC2	2018139493	SFZJRUOMUCDGFG-FJBKBRRZSA-N	237.431	4.514	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCC(C)(C)CC2)CC1	2018998272	JPJVDTFBGWBUFJ-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC[C@@H]1CCC[C@](O)(C[C@@H](C)C2CC2)CC1	2019696681	GLQHJTMSUYITKZ-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
CCCCN(C1CCC1)C1CCC(CC)CC1	2020634612	ABWKPSLLJXLTNX-UHFFFAOYSA-N	237.431	4.610	0	10	BJAE	
CCC[C@](N)(CC)C[C@H]1C[C@@H]1C1CCCCC1	2022551228	GIAFLTVWUNBYRI-BZUAXINKSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC(=O)CC[C@@H]1C[C@@H]1C1CCCCC1	2022557453	OKBXXXJQJZSPMH-GDBMZVCRSA-N	236.399	4.598	0	10	BJAE	
O[C@@H]1CCCCCCC[C@@H]1CC(F)=C1CCC1	2023250371	YMDCJDHZDZWTEK-UKRRQHHQSA-N	240.362	4.505	0	10	BJAE	
CCC1([C@@H](N)C[C@@H]2CCCC(C)(C)C2)CCC1	2024100418	CLDCUTKMDAFFBF-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)C[C@H]1CC(C)(C)CC[C@H]1NCC	2024115485	FNMPZLMHPKJSOD-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C[C@@H]2C(=O)CCC[C@@H]2C)CC1	2024614807	ZBDQXWLHXJJATH-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CC[C@H](C)C[C@@H](CC)N[C@H]1CC(C)(C)C1(C)C	2025061768	OPPFMAKWHNPOEO-MJBXVCDLSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](C)c1ccc(C(=O)CCC2(C)CC2)cc1	2027731557	FEUQKBUUOPUDIO-CYBMUJFWSA-N	244.378	4.963	0	10	BJAE	
C[C@H]1CCC[C@]1(CCCC1(C)CC1)CNC1CC1	2027822474	QZPLRWWHBFUYFV-YOEHRIQHSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H]1CCCC[C@@H]1C1=CCCCCCC1	2028749889	BAXJJCOHJUZJPU-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
O=C(CC1CCC=CCC1)[C@H]1CC2CCC1CC2	2028872770	MIUMEUOSAYAXEB-GPANFISMSA-N	246.394	4.518	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)c1	2035409923	NIQFXLGZJZGAOZ-OIISXLGYSA-N	245.410	4.786	0	10	BJAE	
CC(C)(C1CCCCC1)[C@@H](N)C[C@@H]1C=CCCC1	2035599147	MDJWPVNGAHAXEO-ZBFHGGJFSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(CNC)(C[C@H]2C=CCCC2)CC1	2035603798	WWHAHJNJBSTYAB-CGZBRXJRSA-N	249.442	4.539	0	10	BJAE	
CC(C)=C(C)CCN[C@@H]1C[C@@H]2CCCC[C@]2(C)C1	2036633752	FYRKGZSBTRPLFD-GVDBMIGSSA-N	249.442	4.681	0	10	BJAE	
Cc1ccccc1N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1	2036670045	YTXYRYOCMIMIKK-INMHGKMJSA-N	243.394	4.766	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1[C@@H](N)C1=CCCCCCC1	2037076107	RPAQGKXKNUDDKV-XIRDDKMYSA-N	249.442	4.811	0	10	BJAE	
CC(C)=C1CC[C@H](C)C[C@]1(N)C1=CCCCCC1	2037094460	LBPXQIKYCBWLST-YOEHRIQHSA-N	247.426	4.731	0	10	BJAE	
CCC1(C[C@H](N)c2ccccc2C2CC2)CCC1	2037104173	XTZHIXJURIIEBR-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
CC(C)C[C@H](C)C[C@@H](N)c1ccccc1C1CC1	2037104807	CUPLABBHTKGJSE-SUMWQHHRSA-N	245.410	4.636	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CC2CCC=CCC2)CC1	2037207861	IUSRDHNTSGUPDU-NVXWUHKLSA-N	249.442	4.811	0	10	BJAE	
CCN[C@H](CC1CC(C)(C)C1)C[C@@H]1CC=CCC1	2037976066	FZUJNTPSGLCSGT-ZBFHGGJFSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CCC(N[C@@H]2C=CCCCC2)CC1	2039031880	IRGGWSIDZCDBNH-HWOWSKLDSA-N	249.442	4.680	0	10	BJAE	
CC[C@H](NC[C@H]1CCC[C@@H](C)CC1)c1ccco1	2041383828	QMLBEEFUDXNWRS-ILXRZTDVSA-N	249.398	4.537	0	10	BJAE	
CCCN[C@H](C1CCC(C)CC1)[C@H]1CC=CCC1	2042018034	AQJMVDNLXHXOHG-XGHPGWEVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCC[C@@H](C2(CNC(C)(C)C)CC=CC2)C1	2042099754	XZKJBDJPKQRTFA-HUUCEWRRSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1CCC1)c1ccc(C2CCC2)cc1	2042738874	RICLSJUAOYXYBS-QGZVFWFLSA-N	243.394	4.534	0	10	BJAE	
CCCN[C@@H](CCC1=CCCCC1)[C@H]1[C@@H](C)[C@H]1C	2043292783	OVHCDYPRXGCOLB-FSDCSDTHSA-N	249.442	4.537	0	10	BJAE	
CC1(C(=O)CC2CC3(CCC3)C2)CCCCCC1	2045607801	YLQPRKVYSWBYOY-UHFFFAOYSA-N	248.410	4.886	0	10	BJAE	
CCC[C@@](C)(CNCC)C[C@H](C)c1ccccc1	2045997815	NKFAGSQSADHXRO-DOTOQJQBSA-N	247.426	4.596	0	10	BJAE	
CCC[C@H](N[C@@H]1C[C@@H]2CCC[C@@H]2C1)C1CCCC1	2046485722	GJHATSWGCSEVIF-HZMVEIRTSA-N	249.442	4.514	0	10	BJAE	
CCN[C@@H](CCCC1CC1)C[C@H]1CCC2(CC2)C1	2049855977	PTTBOKNQFBJKEV-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](NC1C2CCCC1CCC2)C1CCC1	2050038504	BUDNQFMLQYGENK-ONNPGMOUSA-N	249.442	4.514	0	10	BJAE	
Cc1cccc([C@@H](N)CC[C@H](C)CC(C)(C)C)c1	2050456670	TVEBYYCPMNGACB-HOCLYGCPSA-N	247.426	4.847	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CC[C@H]3CC[C@H]32)CC1	2051588374	GLNKSPLRGOSMEF-FVQBIDKESA-N	249.442	4.514	0	10	BJAE	
CC=CC[C@@]1(CNCC(C)C)CCCCC12CC2	2053363495	FBODMTPMWWNATM-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CC=C(C)C)[C@H]1CCCCC12CCC2	2053410683	GGEBFZHUTYKIHI-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1CCCCCC1)C1CC=CC1	2053666798	JJVIXQCYBANCMM-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)[C@H](NC[C@H]2CCCC(C)(C)C2)CCC1	2055551357	GVMPLNFAKDBBTF-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C)(CN[C@@H](C)c2ccccc2)CC1	2056540209	WTKRMVFTCMPIFQ-CKDBGZEDSA-N	245.410	4.554	0	10	BJAE	
CC(C)(CC[C@@H](N)C1(C2CC2)CCCC1)C1CC1	2057605967	IQHKOLREDOOOFE-OAHLLOKOSA-N	249.442	4.501	0	10	BJAE	
F[C@H](CNc1ccc(C2CC2)cc1)C1CCCC1	2058036328	SYWOSOHUXBETAS-MRXNPFEDSA-N	247.357	4.504	0	10	BJAE	
CC=CCCC[C@H](NC)C1CC2(C1)CC(C)(C)C2	2059253962	VXXIBSBPZARDHT-HNNXBMFYSA-N	249.442	4.537	0	10	BJAE	
CC=CCCCC1(CNC2CC2)CCCCCC1	2059254042	WPMROQFNMHVWFQ-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CC=CCCC[C@@H](NCCC)C1CC2(CCC2)C1	2059259632	QZNBXUKXWPONQY-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](CCCC1CC1)C1=CC[C@H](C(C)C)CC1	2061149898	GZXDSSHBXUKBLO-DOTOQJQBSA-N	249.442	4.537	0	10	BJAE	
C1=C[C@@H](N[C@H]2CCCCCC23CC3)CCCCC1	2062017669	AXGWXEKFLIVGOT-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
CC(C)CCCCCNC1CC2(C1)CC21CCC1	2064112174	ZUMKNXTUEBWTEB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C=C=CCCC1(N)CCC2(CCCCCC2)CC1	2065897458	LZGGNCVKMSMUNY-UHFFFAOYSA-N	247.426	4.720	0	10	BJAE	
N[C@H](CCC1CCCCC1)CC1C[C@H]2CC[C@@H]2C1	2068767569	HZBAQINBFVGOJP-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1CC12CCC2)C1(CC)CCC1	2069193817	OXGORQXKHJREGJ-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)=CCC[C@H](C)N[C@@H](C)c1ccc(C)cc1	2070400626	WVEYDBJMUJKTPS-HOTGVXAUSA-N	245.410	4.781	0	10	BJAE	
C[C@@H]1C[C@H]1CCN[C@@H]1CCCCC12CCCCC2	2071473508	YAQKRMBPAIAUGU-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1C[C@H]1CC(=O)CC1CC2(C1)CC(C)(C)C2	2071483411	FQLBLFXRUWUOSF-KBPBESRZSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)C1([C@H](N)CC23CCC(CC2)C3)CCC1	2071926639	RQJNAGTVEOMSPJ-NPCAHTBFSA-N	249.442	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@]2(CN)CC=CCC2)CC1	2072803425	IAHIWNHGSOXRDJ-BRWVUGGUSA-N	249.442	4.668	0	10	BJAE	
CCC[C@H]1CC[C@H](CC(=O)[C@@]23C[C@H]2[C@H](C)C3)CC1	2072879397	UGGYONKJSZQIGR-NPCUJANDSA-N	248.410	4.598	0	10	BJAE	
CCC1(C[C@@H](NC)c2ccc(C(C)C)cc2)CC1	2074641672	LJBCJBONHDYTKF-MRXNPFEDSA-N	245.410	4.651	0	10	BJAE	
CCC1(CC)CCC(N(C)[C@@H]2C=CCCC2)CC1	2075082615	RGBNUPDGWVDNFM-OAHLLOKOSA-N	249.442	4.776	0	10	BJAE	
Cc1ccc(N(C)C[C@H]2CC[C@H](C)CC2)c(C)c1	2075294227	RJCUBIMOQZJCSI-SAZUREKKSA-N	245.410	4.566	0	10	BJAE	
CN([C@H]1C=CCCCC1)[C@@H]1CCCCCC12CC2	2075401157	KHTNKUXHMFRZMM-JKSUJKDBSA-N	247.426	4.530	0	10	BJAE	
O[C@]1(CCC2=CCCCC2)CCC[C@@H](C2CC2)C1	2075714517	CIIGJHPCRSUBIT-SJORKVTESA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@@H](NCC)c1c(C)cccc1F	2076041073	PARCGJAUFNFGLH-OAHLLOKOSA-N	249.373	4.531	0	10	BJAE	
c1ccc(C2CCC2)c(N[C@@H]2CC[C@H]3C[C@H]3C2)c1	2077262670	XIAAHIYHKNITOA-SOUVJXGZSA-N	241.378	4.555	0	10	BJAE	
CCCN[C@@H](C1=CCCCCCC1)[C@H]1C[C@@H]1CC	2079221452	GRJXKWFAHXXKEG-XIRDDKMYSA-N	249.442	4.681	0	10	BJAE	
N[C@H](C[C@@H]1C[C@@H]1C1CCCC1)C1CCCCCC1	2079631712	CTPNMDSWLANOKG-GVDBMIGSSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@H]1CCNC2(CCCCC2)C1	2079705662	INOGTTVFKDZNID-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(CC[C@@H](N)[C@H]2C[C@@H]2C2CCCCCC2)CC1	2079795380	WGEGQOAYSCRELU-OWCLPIDISA-N	249.442	4.501	0	10	BJAE	
CCc1cc(F)ccc1N[C@@H](CC)C1CCCC1	2081944865	NTXRQINKGLZHDL-HNNXBMFYSA-N	249.373	4.769	0	10	BJAE	
CC1(C)CCC[C@H](CC(=O)[C@H]2CCC3(CC3)C2)C1	2082981460	DENOGWMTBMKKRV-KGLIPLIRSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCC[C@@H](CC(=O)[C@@H]2C[C@@H]3CC[C@@H]3C2)C1	2082982652	MMNIOIPMTJJNIP-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CCC1(N)CC(=CC2CC(C)(C)CC(C)(C)C2)C1	2082991486	QTWGIWOPDNXHFG-UHFFFAOYSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)Cc1cccc(C)c1	2085941032	NILXCOSCPPDBPV-CQSZACIVSA-N	246.394	4.713	0	10	BJAE	
Cc1cccc(Cn2ccc3c(C)cccc32)c1C	2138352157	SDTOQNLCJMMNMU-UHFFFAOYSA-N	249.357	4.615	0	10	BJAE	
CCC(CC)(CC)C(=O)c1scc(C)c1C	2210573730	VBCMNFGUYRZCCG-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
Cc1csc(C(=O)CC2CCCCC2)c1C	2210577229	IQGBJUVSMHVJPJ-UHFFFAOYSA-N	236.380	4.518	0	10	BJAE	
CCCC[C@](C)(O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213274610	FRSOJMYXVMVQHW-JJXSEGSLSA-N	238.415	4.534	0	10	BJAE	
C[C@H]1CCC[C@@H](C)N1CCCCCCC1CC1	2213577939	HIJOOJOIUBSLGB-GASCZTMLSA-N	237.431	4.610	0	10	BJAE	
CC[C@H]1CCC[C@](O)(CCCCC(F)F)CC1	2216454184	WPGQDNYDGFIFHU-GXTWGEPZSA-N	248.357	4.533	0	10	BJAE	
CC[C@H](C)NC[C@]1(CCCC(C)C)C=CCC1	2217154800	XJAZIKFUBJAIQD-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CC[C@@H]1CCCN([C@H]2CCCC[C@@H]2C)C1	2218144866	WCTFSNZGUQSNAU-ULQDDVLXSA-N	249.442	4.633	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)CC1C[C@H]2CCC[C@H](C1)C2	2218378139	OFJNQXOMTZCKCE-UGQVUOCMSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC)CCC/C=C/c1ccccc1	2219096660	YFOGQZWXIOYDEV-JZUUQJBKSA-N	245.410	4.648	0	10	BJAE	
CN[C@H](CCCCC1CC1)C12CCC(CC1)CC2	2220027007	DVKYUWNJYHKMEV-AQFXKWCLSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](CCC1CCC1)CC1(C)CC2(CCC2)C1	2221025921	QHHBECOEGWLHIS-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CC1=CC[C@@H](N[C@H]2CCC3(CCCCC3)C2)CC1	2221668095	XKKPZDRUVWQBPD-CVEARBPZSA-N	247.426	4.578	0	10	BJAE	
N[C@H](CCC1CC1)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2222980706	LRPSTJIBALYWNY-QBPKDAKJSA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCCC1C[C@@H]2CC[C@H](C1)N2	2223130140	JONMEHCPNPJJEV-ALOPSCKCSA-N	249.442	4.658	0	10	BJAE	
CC[C@H](C)C[C@H](CN[C@H](C)CC)c1ccccc1	2223550252	WBSMVHIKRJZMJI-ZMSDIMECSA-N	247.426	4.595	0	10	BJAE	
CC[C@@H](C)C[C@@]1(CNC2CCC2)CC=C(C)CC1	2223552053	UIVQKRLMNKPQES-RHSMWYFYSA-N	249.442	4.681	0	10	BJAE	
CCC[C@H](C)C[C@@]1(CNC2CCC2)CC=CCC1	2223597582	SGPVGJBQYFLKCR-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCCC[C@@]1(CNC2CCC2)CC12CCCC2	2223604863	QZYFNBXTQHIQPU-KRWDZBQOSA-N	249.442	4.659	0	10	BJAE	
Cc1ccc([C@H](C)[C@@H](O)[C@@H](C)CCC(C)C)cc1	2223955414	QCUGJXYAJGJDOK-ZOBUZTSGSA-N	248.410	4.532	0	10	BJAE	
CC[C@](O)(CC[C@@H]1CCC[C@H](C)C1)C(C)(C)C	2246688435	URTLPUQFTVOKOR-DZKIICNBSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)CC12CCC(CC1)CC2	2250351789	GPQRNJNBNTYUID-FYRZTWFESA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H]([C@H](CC)CCC)[C@@H]1CCC1(C)C	2250353066	QWXIINBMTOXCPL-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)C[C@@H](C)C1CCCCC1	2250378755	PZDMETSLLYLUHC-IIAWOOMASA-N	239.447	4.747	0	10	BJAE	
CC1CC2(C1)CC(CNc1cccc(Cl)c1)C2	2250461592	VAHLMWDCZGVVQU-UHFFFAOYSA-N	249.785	4.578	0	10	BJAE	
CC(C)CCC[C@@H](C)CCN1CCCC[C@H]1C	2250467721	VFRJKZHQGPQYCN-HZPDHXFCSA-N	239.447	4.713	0	10	BJAE	
CC1=C[C@@](N)(CC[C@H](C)CCCC(C)C)CC1	2250481496	MIBAVBJNLDQNSA-GDBMZVCRSA-N	237.431	4.667	0	10	BJAE	
CCC(C)(C)N(C)CC[C@H](C)CCCC(C)C	2250517956	GJYODNBQCQENRX-OAHLLOKOSA-N	241.463	4.959	0	10	BJAE	
CCC[C@H](C)N(C)CC1CC(CC(C)(C)C)C1	2251583231	UDESYWCUIGTYDJ-NFOMZHRRSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)C[C@H]1[C@@H](O)C(C)(C)CCC1(C)C	2251718981	NILUDCFFLLYULF-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](CC=C(C)C)C[C@H]1CCCCC12CC2	2253811370	VVYRNSFBUURREJ-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCN[C@H](CCC1CC1)C[C@@H]1CCCCC12CC2	2253826543	YFVKYVSUZROQES-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCC[C@@H](CC[C@@H](N)C2CC3(CCC3)C2)C1	2253939067	PTRKOQJVOHBUJY-OFQRWUPVSA-N	249.442	4.501	0	10	BJAE	
CC1CC2(C1)CC(N[C@@H]1CCCC(C)(C)CC1)C2	2254156485	CBJQLXUQYHDGGI-NUHCZIBGSA-N	249.442	4.514	0	10	BJAE	
CC1CC2(C1)CC(C(=O)[C@@H]1CCCCC1(C)C)C2	2254488013	NNGHHKNRVHANBG-XJIRZWNVSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCCC12CC2)C(C)=C(C)C	2255245977	LEWWUJHDTSZYCV-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC[C@](C)(NCC[C@H]2CCCC23CC3)C1	2255281002	LHILLXSBIAJQLJ-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1[C@@H](C)[C@@H]1CCNc1ccc2ccccc2c1	2260446501	UWGRJIPHRTUSSG-LAQFHYBYSA-N	239.362	4.544	0	10	BJAE	
CC1=CCCC[C@H]1N[C@@H]1CC(C)(C)CCC1(C)C	2261396079	UXTLEJWUIWICPB-HUUCEWRRSA-N	249.442	4.680	0	10	BJAE	
CC(C)CC[C@@](C)(O)C[C@@]12CCCC[C@@H]1CC2	2298716858	JBSMMKZNVAYUIP-OAGGEKHMSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCC[C@@](C)(O)CC1CCC=CCC1	2300479502	XTNYRLIXUOGFEN-MRXNPFEDSA-N	238.415	4.700	0	10	BJAE	
CCc1cc(Cl)c2c(C(C)C)ccc(C)c2n1	2300501570	OVQYHAPUWMZTNR-UHFFFAOYSA-N	247.769	4.882	0	10	BJAE	
CCC(CC)CC[C@@H](O)C1(CC2CCC2)CC1	2300682468	ZFYGATUMYVEIQQ-OAHLLOKOSA-N	238.415	4.534	0	10	BJAE	
CCC(C)=CCN(C)[C@H](C)C1(C)CCCCC1	2300880555	NMCDYDOYWLNCMA-OAHLLOKOSA-N	237.431	4.633	0	10	BJAE	
CCN[C@@H]1CC[C@H]1CC=C(C)CCCC(C)C	2300916458	NYDAVLWZONHUQK-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
CC(=CCC[C@H]1CCCCN1)CCCC(C)C	2300919054	RKBVHITWCNCYFR-MRXNPFEDSA-N	237.431	4.681	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)NCC1CCCCCCC1	2301685672	OCNOICQRGDMTII-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H](C)[C@](C)(N)CC1CCC(C)(C)CC1	2301942793	SOLDBUBLPYQKJO-CZUORRHYSA-N	239.447	4.602	0	10	BJAE	
N[C@@H](CCCCC1CC1)c1ccc(C2CC2)s1	2302568910	DGHOANSLOXJIAP-ZDUSSCGKSA-N	249.423	4.596	0	10	BJAE	
CCCCC[C@@H](C[C@H]1CCC(C)(C)C1)NCC	2302676084	RHMBNDRWSBWYLC-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@H](C)C(=O)CC[C@@H]1CC[C@@H]1C1CC1	2303155325	BKIQQRZWSVFSDS-AEGPPILISA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)CCC[C@H](N)[C@@H]1CC[C@H]1C(C)(C)C	2303431787	NCMBWNCLIOXYIU-MCIONIFRSA-N	239.447	4.602	0	10	BJAE	
CCCC[C@@](N)(CC)C[C@@H]1CCC(C)=C(C)C1	2303574868	DKULLVIJOVKOHW-CVEARBPZSA-N	237.431	4.811	0	10	BJAE	
CCC(C)(CC)[C@H](N)C[C@@H]1CCC(C)=C(C)C1	2303582879	KKRGJFQJYBCBRF-HUUCEWRRSA-N	237.431	4.667	0	10	BJAE	
CCC[C@@H](CC)C[C@H](CC(C)(C)C1CC1)NC	2307894348	RDOFOXGHCFQFGM-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)C1(C)C(C)(C)C1(C)C	2307894446	MSSPUNBDNFYKBN-STQMWFEESA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC(CC(=O)[C@]23C[C@H]2[C@H](C)C3)CC1	2311021548	UGGYONKJSZQIGR-ZNOUWTSMSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@H]1CCCC[C@@]1(N)C[C@@]12CCCC[C@@H]1C2	2311148330	UPLDTACZLVEWKP-WCXIOVBPSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CC[C@H](CC(=O)[C@@H]2C[C@H]2C2CCCCC2)C1	2311525979	NJEYTDUZCUBDCA-DARAHFNDSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@@H]1CC)[C@]1(C)C=CCC1	2312458540	IUQRPGPWWSGXSH-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCCC[C@@H]1C[C@@H]1C[C@@H]2CC[C@H]1C2	2312937279	GBMHUSNCQUZGFG-QXSJWSMHSA-N	248.410	4.742	0	10	BJAE	
CC1([C@](C)(N)C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCC1	2313186126	DAFNHJIHZQCUCV-QSJFSLAZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)C[C@](C)(CC[C@@]23CCCC[C@@H]2CC3)CN1	2313321185	JFXSVVYOVCPJHQ-PVAVHDDUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](CC)[C@H](O)c1ccc(C)c(CC)c1	2314712534	PNASHMSKPISSET-YOEHRIQHSA-N	248.410	4.807	0	10	BJAE	
Cc1cccc([C@@](C)(O)CC2CCCCCC2)c1	2316857815	BYCRTLZDZYJPKS-KRWDZBQOSA-N	246.394	4.563	0	10	BJAE	
CCC(C)(C)CC(=O)c1ccc(F)cc1C1CC1	2317104131	SPULMTHEGXEEBZ-UHFFFAOYSA-N	248.341	4.712	0	10	BJAE	
CCCCC[C@H](CC)N[C@H]1C[C@H]2C=C[C@H]1CCC2	2317120633	DVAMSHVGFZCYJA-NCOADZHNSA-N	249.442	4.680	0	10	BJAE	
O[C@@]1(CCCC2=CCCCC2)C[C@H]2CCC[C@H]1C2	2318533856	KSNFQPABGVZXQU-ULQDDVLXSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1CNCCCC1=CCCCC1	2318594480	GKHYVEOOHHTGPA-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC(=O)[C@@H]1CCC2(CCCC2)C1	2318937283	XVSGXZCFPFYINC-QLFBSQMISA-N	248.410	4.742	0	10	BJAE	
CCC1CCC(C[C@]2(N)CCCC[C@H]3C[C@@H]32)CC1	2319234752	OPDGAPPJXDTUSA-LMNGEROHSA-N	249.442	4.501	0	10	BJAE	
CC(C)C(=O)C[C@@H](c1ccccc1)C1CCCC1	2319678020	UDLGKKBQMDKTBW-INIZCTEOSA-N	244.378	4.576	0	10	BJAE	
C(CCCC1CC1)CCN[C@H](CC1CC1)C1CC1	2320514993	ITLKSSPTPGYLIT-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](N)Cc1cccc(C(C)C)c1	2320623688	OZUMQICBANRVBX-WMLDXEAASA-N	247.426	4.506	0	10	BJAE	
C[C@@H](C(=O)[C@H](CC1CC1)C1CC1)C1CCCCC1	2320697267	VTLOOVSZKOMVIW-MLGOLLRUSA-N	248.410	4.598	0	10	BJAE	
CC1=CC[C@@](C)(C(=O)[C@H](CC2CC2)C2CC2)CC1	2320778792	JBTATJUOJQIUBK-NVXWUHKLSA-N	246.394	4.518	0	10	BJAE	
CC[C@H]1C[C@H]1CCNc1cccc(C(C)C)c1F	2327764119	ANTGWPJAUAXIDQ-QWHCGFSZSA-N	249.373	4.797	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)c2ccco2)c1F	2327811177	GVNLUZFWDRZJCW-LLVKDONJSA-N	247.313	4.715	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1cc(C)c(C)cc1C	2328205836	GLQXXEJFBHVYCJ-RDJZCZTQSA-N	247.426	4.828	0	10	BJAE	
C[C@H](Nc1ccccc1Cl)c1cccc(F)c1	20000286	AYHNMDQZUDAFSV-JTQLQIEISA-N	249.716	4.652	0	10	BJAE	
CCCCCCNc1ccc(C(F)(F)F)cc1	20359227	SYZDLYUUHVYZRR-UHFFFAOYSA-N	245.288	4.698	0	10	BJAE	
CCC[C@@H](C)CNc1cccc(C(C)C)c1	20549288	UHHBDMJKABIDTP-CYBMUJFWSA-N	219.372	4.658	0	10	BJAE	
CCCCCCNC1CCC(C(C)(C)C)CC1	21507453	MWQVTYQOPMNMHI-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
Cc1cccc(OCc2ccc3ccccc3c2)c1	34514922	LUJMQWVXOMPSLC-UHFFFAOYSA-N	248.325	4.727	0	10	BJAE	
CN[C@H](CCC1CCCC1)c1ccc(C)cc1C	35468209	NKOOCOZDJRTUBK-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CCCC[C@@H](CC)NCCC1CCC(C)CC1	70538644	LPUHNZDPVOOPIU-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCC1CCC([C@@H](N)C2CCCCCC2)CC1	87947128	XZIWKKPQXUWTTO-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CCC[C@@H](C)[C@@H](O)c1ccc(C(C)(C)CC)cc1	90484927	NUJCEDQZZHKKKJ-CZUORRHYSA-N	248.410	4.844	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CCC2CCCCC2)c1	104048146	ILJHGBFYVPWZRU-QGZVFWFLSA-N	246.394	4.697	0	10	BJAE	
CCCCC[C@H](O)c1cc(C)c(C)cc1Cl	122242851	SWUGXRAVVZCWHG-AWEZNQCLSA-N	240.774	4.571	0	10	BJAE	
CCCCCC[C@@H](N)c1cc(Cl)ccc1C	124813815	UOAOMUJQKPNANX-CQSZACIVSA-N	239.790	4.619	0	10	BJAE	
C[C@H]1CCC[C@@H](N[C@H](C)C2CCCCC2)CC1	149411328	HTLVSKJPKOQODG-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
C[C@@H](C1CCCCCC1)[C@@H](C)CNC(C)(C)C	150056668	FHWALONHWKNCOX-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCCCC[C@H](NCC)c1ccccc1CC	158501327	NBTIWJUPKYTKIO-KRWDZBQOSA-N	247.426	4.870	0	10	BJAE	
CN[C@@H](CCCC(C)C)c1ccc(C(C)C)cc1	165792748	UZVTVHOAGYDFQX-KRWDZBQOSA-N	247.426	4.897	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CC1CCCC1	167828629	GOLJBHYNHGTTGO-ZDUSSCGKSA-N	224.388	4.742	0	10	BJAE	
CCC[C@@](N)(CC1CCCCC1)c1ccccc1	203336976	NMYHKEJUMGBXAX-QGZVFWFLSA-N	245.410	4.611	0	10	BJAE	
CC[C@@](C)(CNCC(C)C)CC1CCCCC1	203436476	YNKATUGJTPCOIZ-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@@H](CCC)[C@H](C)c1ccc(CC)cc1	212641098	CXONAJJKGAMSCC-PBHICJAKSA-N	247.426	4.521	0	10	BJAE	
CC(C)[C@H]1CSc2cccc(C(C)(C)C)c2N1	214913541	PMGCNLLSLWKNNU-GFCCVEGCSA-N	249.423	4.526	0	10	BJAE	
CCCC[C@H](CC)C[C@@H]1C[C@@H](C)CCC1=O	216359426	PYRJCINRTYRCBL-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC1(C)CC(NCCC2=CCCC2)CC(C)(C)C1	228578443	STHAQUYDRGYPRN-UHFFFAOYSA-N	249.442	4.681	0	10	BJAE	
O=C1CCCC[C@@H](c2ccccc2C2CCC2)C1	229634174	PBAGQMFPCDCCMT-CQSZACIVSA-N	242.362	4.571	0	10	BJAE	
CCCN[C@H]([C@H](C)CCC)C1(C)CCCCC1	233179599	WNDRNHCYKQDQPF-HUUCEWRRSA-N	239.447	4.761	0	10	BJAE	
CCC[C@@H](C)Cn1ccc2cccc(Cl)c21	233274137	UHFKUUXKRCSEHL-LLVKDONJSA-N	235.758	4.731	0	10	BJAE	
CCc1ccc(CN[C@H](CC)C[C@H](C)CC)cc1	233826773	ZPVIPCBKGFKGKN-RHSMWYFYSA-N	247.426	4.553	0	10	BJAE	
Clc1cccc2ccn(C3CCCCC3)c12	236071626	ZDILJFXCTQVQDQ-UHFFFAOYSA-N	233.742	4.800	0	10	BJAE	
CC[C@@H]1CCC[C@@H]1N[C@H](C)c1cc(C)ccc1C	252934776	DYZAFRUALYDNQZ-INMHGKMJSA-N	245.410	4.533	0	10	BJAE	
Cc1ccc2c(CSC(C)C)csc2c1	257866436	HBMPORQVKDCINQ-UHFFFAOYSA-N	236.405	4.851	0	10	BJAE	
CCCC[C@H](CC)C[C@H](N)C1(C)CCCCC1	300244849	CJSCNOYHZBEWCT-GJZGRUSLSA-N	239.447	4.891	0	10	BJAE	
CCCC[C@H](C)C(=O)[C@H]1CCC[C@@H](CC)C1	300936607	NFRDAASZHWPCKX-MJBXVCDLSA-N	224.388	4.598	0	10	BJAE	
Cc1ccccc1[C@@H](C)Nc1cccc(C)c1F	302266904	GMCKFTZHLQBVSH-CYBMUJFWSA-N	243.325	4.616	0	10	BJAE	
CC[C@@H]1CCC[C@](CN)(C[C@@H](C)CC(C)C)C1	302375125	PACOWIJFCDMUPL-XHSDSOJGSA-N	239.447	4.604	0	10	BJAE	
CCCC[C@@H](C)C(=O)c1ccc(CC(C)C)cc1	302459316	WFHLDEZHYFAUHA-CQSZACIVSA-N	246.394	4.894	0	10	BJAE	
C[C@H](CCCC(C)(C)C)[C@H](N)c1ccccc1	305910012	HUADPHNVMYQOTN-HIFRSBDPSA-N	233.399	4.539	0	10	BJAE	
CCCC[C@H](C)[C@@H](N)c1ccc2ccccc2c1	306023090	OGUQTYDVUUPLRQ-SUMWQHHRSA-N	241.378	4.666	0	10	BJAE	
Cc1cc2cc(Cl)sc2cc1Cl	306819661	LLWJSMJNSPCAMA-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
CCc1cc2c(SC)ccc(Cl)c2s1	307291738	KJPDGOCKHHKHMZ-UHFFFAOYSA-N	242.796	4.839	0	10	BJAE	
Fc1csc2c(Cl)ccc(C(F)F)c12	307315013	WMOZUVJXNWALGQ-UHFFFAOYSA-N	236.645	4.631	0	10	BJAE	
CCc1cc2ccsc2c(CC)c1Cl	307651208	LMEXBZFJSZCJML-UHFFFAOYSA-N	224.756	4.680	0	10	BJAE	
CCCN[C@H](C)/C(C)=C\C1CCCCCCC1	309985478	KVPVOPJRRBWYQA-SEWDUPMJSA-N	237.431	4.681	0	10	BJAE	
CC(C)NCC[C@H](C)C[C@H](C)C1CCCCC1	310377654	AIVNZRFAIOLRBI-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CCC[C@@H](CC(=O)C(C)(C)C(C)(C)C)C1	310582925	SABBCXRRJXRPOT-QWHCGFSZSA-N	238.415	4.844	0	10	BJAE	
CC[C@@H]1CCC[C@H]1N[C@H]1CCCCC12CCCC2	311162265	YWVKCPWMSVVSRE-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1C[C@H](CC2(C)CCCC2)Nc2ccccc21	311219332	NOHAEOVAJMYJTH-ZIAGYGMSSA-N	243.394	4.945	0	10	BJAE	
CN[C@H](c1ccccc1C(C)(C)C)[C@H](C)C(C)C	319514039	DRTXDIHMRSJCJZ-CJNGLKHVSA-N	247.426	4.537	0	10	BJAE	
CC[C@H]1CCC[C@@](O)(CC2CCC(C)CC2)C1	380023229	DUONTFISFAJFDO-GRAKBVBRSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCC[C@H](N)c1ccc(Cl)o1	383287609	QHYUNEVIPNEATH-NSHDSACASA-N	243.778	4.539	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@H](C)C1)C(C)(C)C	383524948	PBOZTEYLTFBTEM-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)[C@@H]1CCCC[C@H]1C	384561733	SFZRDTTVTKOQSE-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC[C@H](C)c1ccccc1)C(C)C	384843002	ZZIDPUITAMPSGE-RDJZCZTQSA-N	247.426	4.595	0	10	BJAE	
C[C@H](CC(=O)[C@@H]1CCCC[C@H]1C)c1ccccc1	385068910	VOIFDUPPANPNPL-IIAWOOMASA-N	244.378	4.576	0	10	BJAE	
CC[C@H](Nc1cc(C)cc(C)c1)C1CCCC1	387698145	WQVVCXYOIKLYDX-INIZCTEOSA-N	231.383	4.684	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)C(C)(C)C(C)(C)C	393852829	OAZKEBKFNVMQHW-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)(CC)CNC(C)(C)c1ccccc1	395121909	LFELBEQTHHWAHL-UHFFFAOYSA-N	247.426	4.728	0	10	BJAE	
CCCC[C@](CC)(CCCC1CCC1)C(=O)O	688364837	NTSIRCZJCQOTFB-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CC(C)(C)c1cccc([C@H](O)CC2CCCC2)c1	691696642	IYTHUFJIYZSJPM-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CCC(C)(C)CC[C@H](C)[C@H](C)CNCC(C)C	696805477	JMGDFCMKTUODLC-LSDHHAIUSA-N	241.463	4.721	0	10	BJAE	
CCCCC[C@@H](C)Nc1cc(C(C)(C)C)ccn1	699605213	JMOPYDRAVYASEC-CYBMUJFWSA-N	248.414	4.760	0	10	BJAE	
CCC(C)(CC)[C@H](O)C1CCCCCCC1	701069372	OWRNWBMQFVWFKD-CQSZACIVSA-N	226.404	4.534	0	10	BJAE	
CC(C)(C)CCC[C@@](C)(N)C1CCCCC1	704837107	RAFDWDQBPIIILO-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
C[C@H]1CCCCC[C@]1(N)C[C@H]1CCC[C@@H](C)C1	704930797	SVQCVSPBXOIMGP-UGUYLWEFSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@]1(N)CCC12CCCCC2	705265421	JIFDNYBWFKDHIU-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
C[C@H](NC1CCCCCCC1)[C@@]12CCCC[C@@H]1C2	709153735	JNVSVYRKJRDHOQ-UXLLHSPISA-N	249.442	4.658	0	10	BJAE	
CCCCCC[C@@H](O)C[C@@H](CC)C(C)(C)C	711182697	ZIUQBWAXZHREMU-ZIAGYGMSSA-N	228.420	4.780	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)C[C@@H](C)C(C)(C)C	711185721	XEYSOSIPLQQCHO-GDBMZVCRSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](N[C@@H]1C[C@@H]2CCCC[C@H]21)C1CCCCC1	712519325	FEWAOKHKMOWLFF-VVLHAWIVSA-N	249.442	4.514	0	10	BJAE	
Cc1ccc(Cl)cc1OCC(C)(C)C(C)C	713241638	TWIOEEUTRQFQOH-UHFFFAOYSA-N	240.774	4.709	0	10	BJAE	
CC(C)(C)CC(=O)C1(c2ccccc2)CCCC1	713338371	FPBUNXXKMMHHOM-UHFFFAOYSA-N	244.378	4.504	0	10	BJAE	
C/C=C/[C@@H](C)Cc1cc(C)c(C)cc1Cl	714547142	QYQYJAQTPMJANY-BRAIEQGRSA-N	222.759	4.712	0	10	BJAE	
CC1(C)CC[C@H](CCC2CCCCC2)C(=O)C1	717531561	JSOONTTVWYBAJS-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
CCCCC1CCC(C(=O)C[C@H]2C[C@@H]2C)CC1	722889878	IQIDLOZQYPPSSX-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C1CCC(NCCC2CC=CC2)CC1	724205094	MLBDJVWJDDISNS-UHFFFAOYSA-N	249.442	4.537	0	10	BJAE	
Cc1ccccc1SC[C@H](C)CC(C)C	1165562093	ICZALTYHPPUDMH-GFCCVEGCSA-N	222.397	4.769	0	10	BJAE	
CC[C@H](NCC1CC2(CCC2)C1)C1CCCCC1	1168510111	SGSDSAVBKGVQGX-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@@H](CCC)N[C@@H]1CCCC(F)(F)C1	1258755066	CNRJQCFFKWGXGZ-CHWSQXEVSA-N	247.373	4.513	0	10	BJAE	
CCC[C@H](C)CC(C)=CCCNC(C)(C)C	1884964007	PEAIISRFLXANCE-ZDUSSCGKSA-N	225.420	4.537	0	10	BJAE	
CCC(C)=CCc1c(O)cc(C)c(Cl)c1C	1900893026	OOQPCHYGKDPJFZ-UHFFFAOYSA-N	238.758	4.561	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@]1(C)C=CCCC1	1905430707	DINIJNNXRBCULN-UKRRQHHQSA-N	222.372	4.518	0	10	BJAE	
C[C@@H]1CCC[C@H]1CNC1CCCCCCCC1	1906881513	XCSITXCPZGOSCD-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H]1C[C@H]1C(=O)c1csc2ccccc12	1910659434	JQHBOSBBXZJUSR-ZYHUDNBSSA-N	244.359	4.520	0	10	BJAE	
CC(=CCCNC(C)(C)C)[C@H]1CCCC[C@H]1C	1912110331	CCLUWHMXBLJUJF-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](C1CCC1)C1CC2(CCCCC2)C1	1912627692	CYNFLIPNEKVZSI-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCC1)N[C@H]1CCC2(CCCCC2)C1	1915855266	PATNYPUZHZAQQM-HOCLYGCPSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@](O)(CC)CCCCCC1CC1	1919472116	BCLNXTHINDVGHE-OAHLLOKOSA-N	226.404	4.678	0	10	BJAE	
CCc1ccc([C@@](O)(CC)CC(C)(C)CC)cc1	1919592559	OCRNVNQUIJQVJF-QGZVFWFLSA-N	248.410	4.673	0	10	BJAE	
CCC(C)(C)CC[C@@](N)(CC)c1cccs1	1920208585	UYDRSQXFDXTMSM-AWEZNQCLSA-N	239.428	4.529	0	10	BJAE	
Clc1cccc(C[C@H]2C=CCC2)c1Cl	1932591557	ACOGXTDPGIMJFA-VIFPVBQESA-N	227.134	4.502	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)c1csc(Cl)c1	1933559917	HUUUXTBLMVIFAS-MRVPVSSYSA-N	244.787	4.657	0	10	BJAE	
CCC(C)(C)CC[C@H](C)c1cccc(N)c1	1936002097	JIAMYIIWNQLAAU-LBPRGKRZSA-N	219.372	4.589	0	10	BJAE	
CCC[C@@H](CCCC1(C)CCCCC1)NCC	1940410779	UAFOPLGTFCWUFO-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CC(C)CCCCC[C@@]1(CN)CC=CC[C@H]1C	1940954696	WWGWTGNBMUAECO-CVEARBPZSA-N	237.431	4.524	0	10	BJAE	
O=C(CCCCCC1CC1)CC1CCCCC1	1941583999	KUPWRQRJDHAOHY-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CN[C@H](CCCCCC1CC1)[C@H](C)C(C)(C)C	1941599531	KIPFUGIWJPZPPL-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)[C@@H](C)NC1CCC2(CCC2)CC1	1944600472	QWSQJJWIYFAWLR-CYBMUJFWSA-N	237.431	4.514	0	10	BJAE	
CN[C@@H](CCCCCC(C)C)C[C@H]1CC1(C)C	1944748431	ZYEVQUBTOFVEKV-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)CNCCC1(C)CCCCC1	1945431742	GDIPGMVGBVSCFS-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
CC(C)C[C@H](C)[C@H](C)N[C@H]1CCC[C@H](C)CC1	1948325550	HKXZUJTVSVJPQF-VGWMRTNUSA-N	239.447	4.616	0	10	BJAE	
CCC1(C)CC([C@@H](O)CCCCCC2CC2)C1	1948405417	MLMBJDNLNDGYGY-PCKAHOCUSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC(=O)[C@H]1CCC2(CCCC2)C1	1949507031	PVRAWUFWKMAWIG-AWEZNQCLSA-N	236.399	4.742	0	10	BJAE	
O[C@@H](CCCC1=CCCCC1)CC1CCCC1	1949865122	VTHJUNQVTBKBHI-INIZCTEOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC[C@@H](O)CC1CCCC1)CC(C)(C)C	1949866088	GNCLZQGCIHDTBT-DZGCQCFKSA-N	240.431	4.780	0	10	BJAE	
C[C@@H](CC[C@H](N)CC1CCCC1)CC(C)(C)C	1949871658	YITLMGZNUNNUFS-ZFWWWQNUSA-N	239.447	4.747	0	10	BJAE	
CCC=C[C@H](C)Cc1ccc(OCCC)cc1C	1951308620	KGZIMKZBILSHPL-AWEZNQCLSA-N	246.394	4.929	0	10	BJAE	
CCCC1CCC(CN[C@@H](C)C(C)(C)C)CC1	1963217078	QINSDGKXRITBAB-NFOMZHRRSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(N[C@H](C)CCCC(C)C)c1C	1968249289	BFBVQPGTZXPWAX-CQSZACIVSA-N	233.399	4.930	0	10	BJAE	
Clc1ccccc1NCC1CCC2(CC1)CC2	1968257057	TYCBTFRUMGAJJE-UHFFFAOYSA-N	249.785	4.722	0	10	BJAE	
CCCCC1CC(Nc2cccc(SC)c2)C1	1968262646	NXZJXQAGGMHRNE-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
Cc1cc(C)cc(OCC2CCC3(CC2)CC3)c1	1968307601	MOJFUYQYSHZGGW-UHFFFAOYSA-N	244.378	4.653	0	10	BJAE	
CC(C)CCC[C@@H](C)Nc1cccc(C2CC2)n1	1968309132	KAHSLMWGSGAGSI-CYBMUJFWSA-N	246.398	4.586	0	10	BJAE	
Cc1sc(-c2ccc(F)cc2)nc1C(C)(C)C	1968398882	VBEUKDQKBKWXCJ-UHFFFAOYSA-N	249.354	4.555	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)C1(C)CCC1	1981366555	UOZVXHUABNIUPQ-HNNXBMFYSA-N	226.404	4.534	0	10	BJAE	
CC(C)[C@H](C)CC(=O)C[C@H](C)CC(C)(C)C	1988300685	SEAXZLYZYVWDCX-QWHCGFSZSA-N	226.404	4.700	0	10	BJAE	
CCCC1([C@@H](N)CCCC(C)(C)C)CCC1	1988432301	CWGOCGVFIRBYEL-ZDUSSCGKSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@H](CC)Nc1cncc(Cl)c1	1990099969	ZXUGBZDZMWLGMA-LBPRGKRZSA-N	240.778	4.506	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@@H](C)CC(C)C	1990810740	YMQQAVFILLUXLQ-GJZGRUSLSA-N	227.436	4.712	0	10	BJAE	
CCCCN([C@H](C)CC)[C@H](C)CCC(C)C	1990894047	RWQUWWIVYMDGSG-HUUCEWRRSA-N	227.436	4.712	0	10	BJAE	
CCCC[C@H](N)CC[C@H]1CCCC(C)(C)C1	1994028260	BXYROBBAFTZTNB-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CC(C)C(C)(C)CN(C)[C@H]1CCCCC[C@@H]1C	1995757914	NYIWHOQVTLJUQZ-GJZGRUSLSA-N	239.447	4.569	0	10	BJAE	
CCC/C=C/CN[C@H]1CCC[C@@H](CCC)CC1	1995875945	ZUJQLLGJOQXVKV-ZWOPJXCPSA-N	237.431	4.681	0	10	BJAE	
CCCC(C)(C)[C@H](O)CC1CCC(C)(C)CC1	1996609810	APOFQQWLRISVGY-CQSZACIVSA-N	240.431	4.780	0	10	BJAE	
CC(C)NCC[C@@H](C)C[C@H]1CCC=CCCC1	1999997132	VPKOGFGQVZCXGF-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1CCC[C@@]1(N)[C@@H]1CCCC(C)(C)C1	2000044347	IJECIWOFHGFDCH-FMKPAKJESA-N	237.431	4.501	0	10	BJAE	
CCCC1(C(=O)CCC2CCCCC2)CCC1	2000194856	JBIUKISWMWBAGX-UHFFFAOYSA-N	236.399	4.886	0	10	BJAE	
CCCN[C@H](CCCC(C)C)CCCC1CC1	2000368400	QWXIDHLMNYAEPW-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CC(C)CC[C@@H](C)[C@@]1(CN)CCCC(C)(C)C1	2002973008	BPDAURPXDGIWDA-ZBFHGGJFSA-N	239.447	4.604	0	10	BJAE	
CC1CCC(C[C@H]2CCCCCC[C@H]2O)CC1	2003101405	WLCDNOJUCXYBLJ-QDIHITRGSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CC(=O)C[C@H]1CCCC2(CC2)C1	2003277387	JOZJWAZZLABKQS-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CN[C@H](CC=C(C)C)[C@@H]1CCCC(C)(C)CC1	2004226003	LIUQHUXIHJEHGH-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCCCC(=O)C1(C2CCC2)CC1	2004533082	XEFKFLNRNGLJFD-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)[C@@H]1CCCCC12CCC2	2005562437	BDMUJTDQDXPPLK-KGLIPLIRSA-N	236.399	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@](N)([C@@H]2CCC[C@@H]2C)CC1	2006766678	PJRAIXIZALXVSM-ZJIFWQFVSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](C=C1CCCC1)[C@H](CC)CC(C)C	2007944357	PSHBVLSMZUGHDQ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H]1CC[C@@H](C)CC[C@@H]1CC=C(C)C	2009408454	UIWVEOBKZRSFJK-HRCADAONSA-N	237.431	4.537	0	10	BJAE	
CC=CCCC[C@@H](CC(C)(C)CC)NCCC	2009627433	JTJAMTVOWVSHPC-HNNXBMFYSA-N	239.447	4.927	0	10	BJAE	
C[C@@H]1CC=C(CC(=O)c2ccccc2Cl)CC1	2010605632	NIJCZDAHEGUYLX-LLVKDONJSA-N	248.753	4.659	0	10	BJAE	
CCCC(N)(CCC)CC1CC(=C2CCC2)C1	2011047932	HLLYBQVDAFKJAI-UHFFFAOYSA-N	235.415	4.565	0	10	BJAE	
c1ccc(CCCC2CC(=C3CCC3)C2)cc1	2011087709	QZYAENJZJKWKBE-UHFFFAOYSA-N	226.363	4.900	0	10	BJAE	
Clc1cccc2c3c([nH]c12)C1(CCCC3)CC1	2011271034	GENSVFPYUDIELF-UHFFFAOYSA-N	245.753	4.579	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1ccc(C(C)(F)F)cc1	2012750108	SWFIKKSTINHLEE-QWRGUYRKSA-N	241.325	4.645	0	10	BJAE	
CCC(CC)(CC)CN[C@@H](C)[C@H]1CCC1(C)C	2014934573	LENUJECDAUGROV-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC1CCCC1)C[C@H](C)C(C)C	2015275696	RWFHJAHHHMTNDO-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CC(C)C(CC[C@H](N)[C@@H](C)C(C)(C)C)C(C)C	2015357740	MVRXUJOMEUXOCO-HIFRSBDPSA-N	241.463	4.704	0	10	BJAE	
CC(C)CCC[C@@H](N)CCC(C(C)C)C(C)C	2015361365	SVIHABARDPGADD-OAHLLOKOSA-N	241.463	4.848	0	10	BJAE	
CCCC[C@@](C)(CN)CC1(C(C)(C)C)CCC1	2017140784	KPFLQKPWWUTYSM-OAHLLOKOSA-N	239.447	4.748	0	10	BJAE	
CCCN[C@H](CC)CCC1(C(C)(C)C)CCC1	2017144123	BMGCTALQAUTZJM-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](CC)(CNCC)CC(C)=C(C)C	2017461587	MXDZUEGDKCCBHV-INIZCTEOSA-N	239.447	4.929	0	10	BJAE	
CCC1CCC(CC2(N)CCC(C)CC2)CC1	2017729374	WDDZTHYVRCPFLA-UHFFFAOYSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(C)[C@@H](C)Nc1ccc2sncc2c1	2017744191	RMIFSOUAICTGPR-SNVBAGLBSA-N	248.395	4.533	0	10	BJAE	
CCC1(C[C@@H](C[C@H](C)CC(C)(C)C)NC)CC1	2018990614	NPKKTDDCCKDLIN-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC(C)C[C@H](C)N(C)CC1CCC(C)(C)CC1	2019227840	AXOMKAAROZFDKQ-AWEZNQCLSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCN(C)[C@H](C)[C@@H]1CCC[C@@H](C)C1	2019300540	USJHUEAXSNFOJT-BZUAXINKSA-N	239.447	4.569	0	10	BJAE	
CC(C)CCCCCN1CCC[C@@H](C(C)C)C1	2019339968	IIMXRVZSMMQQKI-MRXNPFEDSA-N	239.447	4.571	0	10	BJAE	
CCC[C@@H]1C[C@@H]1CC(=O)C[C@H](C)CC(C)(C)C	2022557018	KOYYYNIKRWWZGU-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2C=CCC2)cc1	2023255493	VBAOOTBQAOOOIR-OAHLLOKOSA-N	229.367	4.550	0	10	BJAE	
CC1(C)CC(CC(=O)C2(C)CC2)CC(C)(C)C1	2024091479	IZHAMTBWSXCIKK-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2CCCCC[C@@H]2O)C1	2024116537	IFNHKYJNMKWAHS-ZNMIVQPWSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)CC1(CC)CCC1	2026148844	XJQYTCOIZSASKI-GJZGRUSLSA-N	240.431	4.924	0	10	BJAE	
CCCN[C@@H](C=C(C)C)c1ccccc1C(C)C	2027518063	NMHALDDOAVGKFN-KRWDZBQOSA-N	245.410	4.817	0	10	BJAE	
CC(C)c1ccc([C@H](O)CC[C@H]2CC2(C)C)cc1	2027830659	JINLNFPMTAIBOI-JKSUJKDBSA-N	246.394	4.670	0	10	BJAE	
CC[C@@H](CC(C)C)[C@H](O)c1cccc(C2CC2)c1	2028551017	BMBHGSCAODQMEE-GUYCJALGSA-N	246.394	4.670	0	10	BJAE	
CCN[C@H]1CCCCC[C@@H]1CC1CCC=CCC1	2028906021	FIKNCZSMQSSULJ-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC1=CCCC1)C1(C)CC(C)(C)C1	2029104485	IGGSMMFLBFGSDX-HNNXBMFYSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](N[C@@H]1CC(C)(C)CC2(CC2)C1)C1CCC1	2030281494	NRASINVFSYMPIM-HUUCEWRRSA-N	249.442	4.514	0	10	BJAE	
C[C@H](CC1CCC1)NC[C@]12CCCC[C@H]1CCC2	2031810064	WDOBQKVAMCRHAY-HYVNUMGLSA-N	249.442	4.515	0	10	BJAE	
CC1(CCCNc2ccccc2C2(C)CC2)CC1	2032242787	MKLRIMLLSBWRPW-UHFFFAOYSA-N	243.394	4.730	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@@H]1C[C@@H]2CCCC[C@H]2C1=O	2034259205	BHABGPARKNPCTB-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
F[C@@H]1CCC[C@@H](Nc2ccc3ccccc3c2)C1	2034873816	NGFJRQYEASMENM-HUUCEWRRSA-N	243.325	4.532	0	10	BJAE	
O=C(C[C@@H]1C=CCCC1)[C@]12CCCC[C@H]1CCC2	2035561459	LRZMDNCOZNSNQF-VYDXJSESSA-N	246.394	4.662	0	10	BJAE	
CC[C@H](CC1CCCCC1)NC[C@@H]1C=CCCC1	2035569739	UJJNJKAFEUHWOZ-IAGOWNOFSA-N	249.442	4.681	0	10	BJAE	
C1CCCCC(N[C@@H]2CC[C@H]3CC[C@@H]32)CCCC1	2035884816	CDWWYPJOECGRKA-HYVNUMGLSA-N	249.442	4.658	0	10	BJAE	
CC(C)C[C@H](C)[C@](C)(N)c1ccccc1C(C)C	2036377742	WGUGPVCMEVGQMO-YOEHRIQHSA-N	247.426	4.666	0	10	BJAE	
CCCC[C@H](Cc1cccc(C(C)C)c1)NCC	2036496081	SSZRRTKUAIFOSB-QGZVFWFLSA-N	247.426	4.521	0	10	BJAE	
CC(C)[C@@H]1CCC[C@]1(N)[C@@H]1CCC2(CCCC2)C1	2037597031	ZOEXMVNAFKOPLQ-VYDXJSESSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC[C@H](N(C)[C@@H]2CCC3(CCCCC3)C2)C1	2037678603	LXPUWRNCPAFCRS-OWCLPIDISA-N	249.442	4.610	0	10	BJAE	
CC(C)c1cccc([C@H](N)CC2CC(C)(C)C2)c1	2037972718	PKWVMCXUEABEPG-MRXNPFEDSA-N	245.410	4.636	0	10	BJAE	
CCCc1ccccc1NC1C[C@@H]2CCC[C@H]2C1	2038623027	QPVINVLPAPRHGF-GJZGRUSLSA-N	243.394	4.630	0	10	BJAE	
CCc1ccc(CC)c(NCC2(C)CC(C)C2)c1	2038886640	PQIZYVBTQBCJQO-UHFFFAOYSA-N	245.410	4.660	0	10	BJAE	
NC[C@]1(CCC2CCCCC2)CC12CCCCC2	2038999569	LQEUZQHRJYIQTC-KRWDZBQOSA-N	249.442	4.646	0	10	BJAE	
C1=C[C@@H](N[C@@H]2CCCC23CCCCC3)CCCC1	2039042747	XPWKDOBGPHDHBW-HZPDHXFCSA-N	247.426	4.578	0	10	BJAE	
CC1(CNCCC23CCC(CC2)C3)CCCCC1	2039418008	NQBAOMKOBDCNMJ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CC1CCC([C@@H](C)N[C@@H]2CCCC3(CC3)C2)CC1	2040636296	PVEMDCPHDZTSHA-GYTBAZASSA-N	249.442	4.514	0	10	BJAE	
CCCC(C)(C)[C@H](O)c1ccccc1C1(C)CC1	2040719013	IPGIZRBWZUDPBA-OAHLLOKOSA-N	246.394	4.598	0	10	BJAE	
CCCN[C@H](C[C@@H](C)C1CC1)[C@@]1(C)CC=CCC1	2042020704	ZRMNUEJFJPOXTB-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](NC2(C3CC3)CCCCC2)C1	2042949102	QPNJGTUAUVDKEO-OAHLLOKOSA-N	249.442	4.658	0	10	BJAE	
C[C@@H](NC1CCC2(CCC2)CC1)C1CC(C)(C)C1	2043549956	KYCUKVSGARCHNS-CYBMUJFWSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CC(C[C@]2(N)CCC3(CCC3)C2)C[C@H](C)C1	2043611681	ISAGMODKOZSZAN-CKEIUWERSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(C)([C@@H](N)C[C@H]2CCC=CCCC2)C1	2045319407	DDDXQYMLERBIOG-GJZGRUSLSA-N	249.442	4.667	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC(=O)c1ccc(CC(C)C)cc1	2045586655	FNLRJSUORMENSB-GDBMZVCRSA-N	244.378	4.504	0	10	BJAE	
CCCC[C@H](NCC)c1c(C)oc2ccccc12	2045806620	MKYPJQUZJNDJFU-AWEZNQCLSA-N	245.366	4.582	0	10	BJAE	
CC(C)CN(C[C@H]1CCC[C@H]1C)c1ccccc1	2046578721	HEMYGHSCXYKIKO-HZPDHXFCSA-N	245.410	4.585	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21	2047424128	HZBQYDFVJPRMJH-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](C)C[C@]1(CNC2CC2)CCC12CCC2	2047946314	GUSXJKNPMRUEKQ-PBHICJAKSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC([C@H](C)NCC2=CCCC2)CC1	2049423264	LUPLZVQABSTDPV-UQPPLGOBSA-N	249.442	4.681	0	10	BJAE	
CC1(C)CC(N)(C[C@@H]2CCC3(CC3)C2)CC1(C)C	2049847251	ADDVJLHOBZFAHP-CYBMUJFWSA-N	249.442	4.501	0	10	BJAE	
N[C@H](CC1CCCCCC1)C[C@H]1CCC2(CC2)C1	2049854079	LJQIDEXINBAPNJ-HZPDHXFCSA-N	249.442	4.645	0	10	BJAE	
CC[C@H]1CCC(=O)[C@H](CC2CCC3(CC2)CC3)C1	2049966692	ZNSULFFUAGBGBK-ZFWWWQNUSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CCC(C)(C)C)[C@@]12C=C[C@@H](CC1)C2	2049997026	KWOQETDGPVGXSJ-UXLLHSPISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CC[C@H](C)C1)[C@@]1(C)C=CCCC1	2050000947	SMBNHLWJBSFCRJ-HZMVEIRTSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@@H](C)C1)[C@@]1(C)C=CCC1	2050007037	PDZAJBWHFZGIQR-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
O[C@H](C1=CCCCCCC1)[C@H]1CCCC12CCC2	2053363847	AMLYHDDTBQAXOY-HZPDHXFCSA-N	248.410	4.598	0	10	BJAE	
C[C@H](C[C@H](N)[C@@H]1CCCCC12CCC2)C1CCC1	2053407704	PSAZJCQXVPRKRC-KBMXLJTQSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccccc1NCC1CC(C(C)C)C1	2056729590	GLVCFUJWFGRXQU-UHFFFAOYSA-N	245.410	4.733	0	10	BJAE	
CCC1CCC([C@H](N)C2(C3CC3)CCCC2)CC1	2057608970	LKUMVKVVRKQMSQ-XUJLQICISA-N	249.442	4.501	0	10	BJAE	
CCCN[C@@H]1CC[C@H](C[C@@H]2C=CCCC2)[C@H]1CC	2058729722	ZPMZYLWAUFPNFY-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C/C=C/CCC[C@H](CC1=CCCCC1)NCCC	2059249463	HYKZEFHOPMNKBC-NJELEJDNSA-N	249.442	4.992	0	10	BJAE	
CC(C)[C@H]1CC=C([C@H](N)[C@H]2CC[C@H](C)CC2)CC1	2061139680	HTQRAFPOKNZPQC-QBYUYEEZSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CCC(CC(=O)C[C@]23CCC[C@H]2C3)CC1	2061600948	DDZOKYQNACEWAZ-WMLDXEAASA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)C[C@]12CCC[C@@H]1C2	2061617136	NPJFEBQJJANZLC-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
C[C@H]1CCCCC[C@@]1(O)CC1CC(=C2CCC2)C1	2061684573	HWTOXNNGJAXEQU-SUMWQHHRSA-N	248.410	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)CC1CC(=C2CCC2)C1	2061699141	IUVMPOWMYGPVLG-LSDHHAIUSA-N	246.394	4.518	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1CC(=C2CC2)C1)NC	2061725207	CETKHGCDWPIURS-YOEHRIQHSA-N	249.442	4.681	0	10	BJAE	
O=C1CCCCCC[C@H]1C[C@H]1C[C@@H]2CCC[C@@H]2C1	2063525005	QVOWWNPAGDHWSF-JONQDZQNSA-N	248.410	4.742	0	10	BJAE	
CC1(C)CCCC[C@@]1(N)CC12CCC(CC1)CC2	2065339357	LOMRYEFTXMKGCK-BDVYOWHSSA-N	249.442	4.645	0	10	BJAE	
Cc1ccc(C)c([C@H](O)CC(C(C)C)C(C)C)c1	2068844969	QXZBQNMNVYREDE-QGZVFWFLSA-N	248.410	4.655	0	10	BJAE	
Cc1cccc(C)c1[C@@H](N)CC(C(C)C)C(C)C	2068845382	YEQYZCKLXFOPMC-INIZCTEOSA-N	247.426	4.622	0	10	BJAE	
CC(C)=CCC[C@@]1(C)Nc2cc(C)cc(C)c2O1	2070413434	LEEVGRYQGSKTKJ-INIZCTEOSA-N	245.366	4.570	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@@H](N)[C@H]2C=CCCC2)CC1	2072802845	BQBDTMBILOPFSF-LUKYLMHMSA-N	249.442	4.667	0	10	BJAE	
CCC1CCC(CC2=C[C@H](N)CC(C)(C)C2)CC1	2072819481	DJNCOOHBSWNEES-XUJLQICISA-N	249.442	4.667	0	10	BJAE	
CCC(C)(C)[C@@](C)(N)Cc1ccc(C(C)C)cc1	2072909258	WUTISZXTOHFAQG-KRWDZBQOSA-N	247.426	4.506	0	10	BJAE	
CCCN(C[C@@]12CCCC[C@@H]1C2)C1CCCCC1	2076591726	RFBNIZPVXPQYOY-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
O=C(CC[C@@H]1C[C@@H]1C1CCC1)CC1CCCCC1	2079331846	GYXWJRNKMBNVFR-NVXWUHKLSA-N	248.410	4.742	0	10	BJAE	
C[C@](N)(CC1CCCCC1)C[C@@H]1C[C@@H]1C1CCC1	2079445640	YMQMZPKKVNRZEC-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
C/C=C/CCCC(=O)[C@H]1C[C@H]1C1CCCCCC1	2079492583	RQHVRMZMHLDKHQ-HSSFLUBNSA-N	248.410	4.908	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@H]2C[C@H]2C2CCCCCC2)C1=O	2079840768	DVVWUJPZTAXZBS-MIGQKNRLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC=C(C)C)C[C@H]1CC12CCCCC2	2081781734	VCROTXKBFFVGAA-HOTGVXAUSA-N	249.442	4.681	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@@H](C)C(C)(C)C)c1	2082951583	VBNRHBSWFXURNU-CYBMUJFWSA-N	246.394	4.867	0	10	BJAE	
Cc1cn(CC2CC(C)(C)CC(C)(C)C2)cc1C	2082990433	IETRDVGWAMOUDK-UHFFFAOYSA-N	247.426	4.957	0	10	BJAE	
CCN[C@H]1C[C@H](C2(C)CCC2)C12CCCCCC2	2083329002	ZKTYWTNFWKOUFC-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)C1C2(CCC2)C12CCC2	2083556454	DHQKZTRBLCIGJY-ZDUSSCGKSA-N	248.410	4.598	0	10	BJAE	
CC(C)c1ccc(C(=O)C2(F)CC2)c(C(C)C)c1	2085365592	YMNDABAKTRDOKR-UHFFFAOYSA-N	248.341	4.618	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)C[C@H]1CC12CC2	2086353731	YGNCQCBBAIADLV-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](C)CCCCCCCC1CC1	2210525400	PTMMPQZAJNPZRX-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@H](O)CC1CCCCCC1	2215255451	WCGCHHSALLLGFS-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
CCCC(CCC)[C@@H](O)CC1(C)CC(C)(C)C1	2215466329	VYABSQZDLUWZTA-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCC[C@@H](C)[C@@H](N)CCCCCCCC1CC1	2216879429	IYJXWRGQLYTWNJ-ZBFHGGJFSA-N	239.447	4.891	0	10	BJAE	
CCC[C@@]1(CN[C@H](C)CC)CCC=CCCC1	2217129293	JXAWAYBLSJGVRM-HZPDHXFCSA-N	237.431	4.681	0	10	BJAE	
CCCCC[C@@H](CN[C@H](C)CC)C1CCCC1	2217138206	DQMAVGNTCBYJGL-ZBFHGGJFSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](C)NC[C@H](CC1CCCCC1)C(C)C	2217145943	UVPAAJLKFATGKG-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CC1	2218337036	XYIFEGJXQSHCGD-KBXIAJHMSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@H]1C[C@]1(N)CCCC2(CCCCC2)C1	2220663998	QAOXZKVTUWJEKV-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
CCCC1(CNCC2(C)CC3(CCC3)C2)CCC1	2220947005	DSKPXBNMWVDILZ-UHFFFAOYSA-N	249.442	4.517	0	10	BJAE	
CN(C[C@@]1(C)CC=CCC1)[C@H]1CCCC(C)(C)C1	2221597007	HFJODSXALODRFE-RDJZCZTQSA-N	249.442	4.633	0	10	BJAE	
O=C(CCCCCCCC1CC1)C[C@@H]1CC12CC2	2223132474	KJLREUIAGIDQAC-OAHLLOKOSA-N	248.410	4.886	0	10	BJAE	
CC=C[C@@H](NCCC)c1ccc(C2CCC2)cc1	2223698885	USNVYKNQFQIXTG-QGZVFWFLSA-N	243.394	4.571	0	10	BJAE	
CCC[C@H](CC)[C@@H](O)C[C@@H](C)CC(C)(C)C	2244778708	BLHHGBJCRBJUPE-RDBSUJKOSA-N	228.420	4.636	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@@H](C)C(C)(C)O	2244846248	AFRVZOKCHXGCCV-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
CC[C@H](C(C)C)[C@H](N)CC[C@@H]1CCC[C@H](C)C1	2246664589	PREBKPOFBSMTNJ-CAOSSQGBSA-N	239.447	4.602	0	10	BJAE	
CC(C)CC[C@](C)(N)CC[C@@H]1CCC[C@@H](C)C1	2246733053	PHEYPTWIABJZBV-PMPSAXMXSA-N	239.447	4.747	0	10	BJAE	
C[C@H](C(=O)c1cc2ccccc2s1)C1CCC1	2246951161	FIYIOWGSJYVZSV-JTQLQIEISA-N	244.359	4.520	0	10	BJAE	
CCCCCC[C@H](C)NCCCC[C@H]1C[C@H]1C	2247112430	ADPUAJVNMJAKTI-PMPSAXMXSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCNC1(C)CCCCCC1	2247112706	BINFDIPMTFSLNZ-HUUCEWRRSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@](N)(CCCC[C@@H]2C[C@H]2C)C1	2247162839	IITLJQXFNHRUQM-KLHDSHLOSA-N	237.431	4.501	0	10	BJAE	
CC[C@H](C)C[C@](N)(CC)CCCC[C@@H]1C[C@H]1C	2247167102	WNNHIKAZPSYWOJ-JJXSEGSLSA-N	239.447	4.747	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)CC1(C)CCCC1	2247175137	YWRYKOKMCWKFBY-KBPBESRZSA-N	236.399	4.742	0	10	BJAE	
CC[C@](N)(CCC(C)C)C[C@@H]1CCC12CCC2	2247444757	ZNVSMQMULVSHJU-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@@H](NC)c1csc(C2CC2)c1	2248043546	ABKGQVFHDXZKQD-RDFMZFSFSA-N	249.423	4.632	0	10	BJAE	
CCC[C@@H](CC)[C@@H](CCC(C)(C)C1CC1)NC	2250358395	MDNUVFCUZAZDEL-UKRRQHHQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@](C)(N)C(C)(C)C	2250473571	FIMWNAHJCOBPSG-HOCLYGCPSA-N	241.463	4.993	0	10	BJAE	
CC[C@H](C)C[C@H](N)CC[C@H](C)CCCC(C)C	2250525831	XOBJMIOXOARXMD-ARFHVFGLSA-N	241.463	4.993	0	10	BJAE	
CCCC[C@H](CC)C[C@H]1CCC(C)(C)[C@H]1NC	2251701103	MSXGHBOBZXSKOJ-ZNMIVQPWSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@@]1(CN)CC[C@H]1CCCCC12CC2	2253838327	IXJSMHBNSRKGCT-INMHGKMJSA-N	249.442	4.502	0	10	BJAE	
CC[C@@H]1CCC[C@]1(N)CC[C@H]1CCCCC12CC2	2253839380	NHCFTBXCNBNZFY-INMHGKMJSA-N	249.442	4.645	0	10	BJAE	
C[C@@H](C1CCC1)[C@@H](N)CC[C@H]1CCCCC12CC2	2253844361	QYYIZXUSSJUMGB-IMJJTQAJSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H](CC=C2CCC[C@H](CCN)C2)C1	2253934035	FMKBDFLOZJQJJZ-HLLBOEOZSA-N	249.442	4.668	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCC[C@@H]1CC[C@H]2CCCC[C@@H]2N1	2254605501	MYPXATFWOUFIPA-UUAJXVIYSA-N	249.442	4.514	0	10	BJAE	
CC1(C)CC[C@H]1COc1cccc2ccccc12	2255017980	NNPKHEPRQXZLDY-AWEZNQCLSA-N	240.346	4.655	0	10	BJAE	
Cc1cccc(F)c1NCC[C@@H]1CCCC12CC2	2255276484	AFMMREDCDKYUSL-ZDUSSCGKSA-N	247.357	4.516	0	10	BJAE	
CC1(C[C@H](N)CC[C@H]2CCCC23CC3)CCCC1	2255277116	CZLRXQBLDVHVSR-HUUCEWRRSA-N	249.442	4.645	0	10	BJAE	
Cc1cc(F)ccc1NCC[C@H]1CCCC12CC2	2255335199	YJZOKAKOUAYNFR-CYBMUJFWSA-N	247.357	4.516	0	10	BJAE	
CCCN[C@@H](c1ccccc1C)[C@@H](CC)CCC	2259443346	LHBFRLXHPFFGQD-DOTOQJQBSA-N	247.426	4.862	0	10	BJAE	
CCC[C@H](CC)[C@H](N)CC1C2(CCC2)C12CCC2	2259467370	XUNAWQIAIHKARE-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H](CN[C@]23CCCC[C@H]2CC3)C1	2260546735	CNDLXXZGRZOQQJ-ZOBUZTSGSA-N	249.442	4.515	0	10	BJAE	
CCC[C@H](C)[C@](O)(c1ccccc1)C1CCCC1	2263750693	RXBXIYVKWJYSKB-YOEHRIQHSA-N	246.394	4.501	0	10	BJAE	
CCCC(C)(C)[C@@H](NCC)[C@@H](C)CC1CCC1	2298852809	SBKTVQRERCNSIM-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CCC(=O)[C@@H]1CC(C)=C[C@H](C)C1	2300702774	YOQSJNSWIZALDP-WFASDCNBSA-N	236.399	4.764	0	10	BJAE	
CCC(CC)CCC[C@@H](O)CC1CCCCC1	2300705128	AGWUWZVKUKGYTB-MRXNPFEDSA-N	240.431	4.924	0	10	BJAE	
CCC[C@@H](C)CNCC=C(C)CCCC(C)C	2300861383	RCSQQUGTGHUBBJ-MRXNPFEDSA-N	239.447	4.785	0	10	BJAE	
CCCC1CCC(N(C)CC=C(C)CC)CC1	2300887531	IGJKRHRCWPUTIR-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
O=C(CCCC1=CCCCC1)Cc1ccsc1	2302358742	JRUDPNZKUBXMAJ-UHFFFAOYSA-N	248.391	4.530	0	10	BJAE	
CC1(C)CC[C@](O)(CCCC2=CCCCC2)C1	2302360448	ASOWVUIVSPUBGE-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CC[C@H]1CC[C@H](CC[C@@H]2CCCC[C@H]2N)CC1	2302511947	AMFWHZWOSVBRET-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)CCCCC1CC1	2302576372	FLSISSOKTNUNHB-HIFRSBDPSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](O)CCC2CCCC2)C1	2302669490	FFSXGHPPURXGRK-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)[C@H](C)NC[C@@H]1CCC(C)=C(C)C1	2303458721	JZSLSHSRADHXIZ-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@H]2CCCCC[C@@H]2O)C1	2304432089	RBAWOEUAJMWOQU-KFWWJZLASA-N	238.415	4.534	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC[C@H]1CCC(C)(C)C1	2304435308	IAVULZFAMWOINT-UONOGXRCSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCCNC12CCCC2	2307828063	FBCGASLFSTXTCK-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@H](CC)CC(=O)c1c(C)cccc1F	2307842178	HZUMFJBZWGRGAM-GFCCVEGCSA-N	236.330	4.533	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)C12CCCC1CCC2	2307907699	DHHCISMUUHICSM-UIDBIOKJSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1O	2307908836	RLLPZOXSJRFQDW-JJXSEGSLSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)C[C@](C)(F)c1ccc(N)cc1	2307909162	JPNXJXONKFSYHN-WFASDCNBSA-N	237.362	4.670	0	10	BJAE	
C[C@@H](CC(=O)CCC[C@@H]1C[C@@H]1C)c1ccccc1	2310439134	FQOSBXXYADFGMS-OFQRWUPVSA-N	244.378	4.576	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2CC[C@@]3(C)C[C@@H]23)CC1	2310549969	LVPCPXMYVKKVMV-NRKLIOEPSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H]2CC[C@@H]3C[C@H]23)CC1	2310925104	MHSOFYDIGVBBDN-QCODTGAPSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](C[C@@]12CCCC[C@@H]1C2)C1(C)CCCC1	2311144793	OYZSMVPBXGDJSR-VYDXJSESSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H]1C[C@@H]2CC[C@H]1C2	2312915737	OOXAEMGXVNMIOO-TWMKSMIVSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1C[C@@H]2CC[C@H]1C2)C1CCCCC1	2312950091	ZGPPKGASGHJSBP-LUYZLQTOSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](C[C@@]12CCCC[C@@H]1CC2)[C@H]1CC[C@H](N)CC1	2313347887	XGPSMYBQAUQOOK-KSWRQPAISA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]([C@H](C)CC2CCC2)c2ccccc2N1	2313624233	LYSXKNVVSGGBTJ-IOASZLSFSA-N	243.394	4.801	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21	2313645467	QEKOXJGPMZNVDN-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CCC(CC)CCC1(CNC2CC2)CC2(CC2)C1	2316246412	UBSSSSXBNLTBST-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC(C)(C)[C@@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2	2317113318	MGZGCXHGKJBWMM-WCVJEAGWSA-N	249.442	4.523	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H](O)c1cccc(C2CC2)c1	2317839953	UQDAFJSTKGOVJA-DCGLDWPTSA-N	246.394	4.526	0	10	BJAE	
CC(C)c1ccc(F)cc1NC[C@@]1(C)CC1(C)C	2317924166	AEZVBIDESGMROT-MRXNPFEDSA-N	249.373	4.797	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)C[C@H]2CC[C@H](C2)C1	2318552455	YESGHZVCAATQRP-FVQHAEBGSA-N	247.426	4.565	0	10	BJAE	
N[C@]1(CCCC2=CCCCC2)C[C@@H]2CCCC[C@H]21	2318573677	VDLXOWYJHKFLDS-GVDBMIGSSA-N	247.426	4.565	0	10	BJAE	
CC1(C)CC[C@H](C[C@H](N)C2(C3CC3)CCCC2)C1	2319035133	STVMJFPCIGEDBP-HIFRSBDPSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@H](C[C@@H](N)C2CC3(CCCC3)C2)C1	2319314289	RLMSJQORENIALE-DZGCQCFKSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](CC[C@@H]1CC[C@@H]1C1CC1)C1CCCCCC1	2319752347	XOHPVBZGRNJQCC-UAGQMJEPSA-N	249.442	4.501	0	10	BJAE	
CC1=C(C)C[C@@](CO)(C[C@@H]2C=CCCCC2)CC1	2320265893	OFCPOZAJKSDENR-IAGOWNOFSA-N	248.410	4.622	0	10	BJAE	
CC1=C(C)C[C@H](C[C@]2(N)CCC3(CCC3)C2)CC1	2320333478	HFVFQEINFVKDMU-NVXWUHKLSA-N	247.426	4.565	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@@H]2CCC(C)=C(C)C2)C1	2320411597	KOPQXCDKIIBXOO-HPUBIQBYSA-N	248.410	4.908	0	10	BJAE	
CCC1(CC(=O)c2cccc(C3CCC3)c2)CC1	2320654940	GKHONFXYMDLRNK-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@]2(CNC(C)(C)C)C=CCC2)C1	2326698787	HSULESDMOHDMNU-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)C[C@@H](O)CCc1ccccc1C	2328270092	WIBYEEPGRUWEOV-RDJZCZTQSA-N	248.410	4.505	0	10	BJAE	
Cc1cc(C)cc(OCc2ccccc2Cl)c1	5539622	FNZYMMHMTTVAIG-UHFFFAOYSA-N	246.737	4.536	0	10	BJAE	
CC[C@H](N[C@H]1CCCC[C@@H]1C)c1ccc(C)cc1	20561801	CUWOMBAHGBXTBK-XIRDDKMYSA-N	245.410	4.614	0	10	BJAE	
CCCCC[C@H](C)N[C@@H](C)CCc1ccccc1	21031197	IMVWBBMFHDECAZ-HOTGVXAUSA-N	247.426	4.566	0	10	BJAE	
CC(C)CCC[C@@H](C)N[C@@H](C)CCC(C)C	21809543	XOCPHBCXONRZQY-CABCVRRESA-N	227.436	4.616	0	10	BJAE	
CCCC[C@H](CC)N[C@@H](C)CCCC(C)C	68985837	CWZDPGGXXJBFRF-GJZGRUSLSA-N	227.436	4.760	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1cc(F)ccc1C	70977635	JKDYPCPBKCSMGH-JSGCOSHPSA-N	235.346	4.515	0	10	BJAE	
c1cc([C@@H]2CCCCN2)ccc1C1CCCCC1	71558073	SLPGISNNIDGENG-KRWDZBQOSA-N	243.394	4.549	0	10	BJAE	
C[C@H](C#N)c1ccc(C2CCCCC2)c(F)c1	79929606	XFEKPYBBZGAWOT-LLVKDONJSA-N	231.314	4.500	0	10	BJAE	
CCc1cccc(C)c1N[C@H]1CC[C@@H](CC)C1	80457216	BJGGHXMOQWYBSD-HIFRSBDPSA-N	231.383	4.548	0	10	BJAE	
CSc1ccccc1N[C@@H]1C[C@H](C)CC[C@@H]1C	85097260	NLEFBWQSHPWEBR-MBNYWOFBSA-N	249.423	4.645	0	10	BJAE	
CCC(C)(C)c1ccc(C(=O)C(C)(C)C)cc1	90482129	GHDHHCAWHRUHBQ-UHFFFAOYSA-N	232.367	4.603	0	10	BJAE	
CCC1([C@H](NC)c2cc(C)ccc2C)CCCC1	94900038	FBMFVWVEOPRJSH-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CCCCCC[C@H](NCC)c1ccc(C)c(C)c1	97468329	JPGZWOFBPXGUEF-KRWDZBQOSA-N	247.426	4.924	0	10	BJAE	
CCCC[C@@H](CC)CNc1ccc(OC)c(C)c1	110166687	QDAGRNSCRFOJIE-CQSZACIVSA-N	249.398	4.632	0	10	BJAE	
CCCCCC[C@@H](N)[C@@H](CC)CCCC	124754091	QRDHTCLROBECOC-UONOGXRCSA-N	213.409	4.501	0	10	BJAE	
CC(C)CCCOc1ccc(C(C)(C)C)cc1	128146317	BLJBQUWQVIOLPN-UHFFFAOYSA-N	234.383	4.799	0	10	BJAE	
CCC[C@@H]1CC[C@@H](CNC(C)(C)C)[C@H](CC)C1	132550272	GANSOGJSCAIANL-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCc1ccccc1OCCC1CCCCC1	145294982	XSSQZIBVWIJSEY-UHFFFAOYSA-N	232.367	4.598	0	10	BJAE	
Cc1ccc(C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1C	166094687	DOQCBBGUHPSKPO-XNRPHZJLSA-N	244.378	4.558	0	10	BJAE	
CCCC[C@@H](CC)CC(=O)c1sccc1C	167825399	ISQVLDFGPNFWEH-GFCCVEGCSA-N	238.396	4.846	0	10	BJAE	
CC(C)[C@H](C)c1c[nH]c2c(Cl)cccc12	232845283	YEUHCZCBKHVWKY-VIFPVBQESA-N	221.731	4.581	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Oc2cccc(C)c2C)C1	233937148	HYPXQRVHYDALCS-HUUCEWRRSA-N	232.367	4.651	0	10	BJAE	
CN[C@@H](C1=CCCCCCC1)c1ccc(C)cc1	234432469	VZBQBGJJBAQEJJ-KRWDZBQOSA-N	243.394	4.536	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC[C@@H](C)[C@H]1C	249721967	JHXYYRWYJZNLOU-IIAWOOMASA-N	245.410	4.876	0	10	BJAE	
Cc1ccc(C(C)(C)C)cc1[C@H](C)C[C@@H]1O[C@@H]1C	251175355	WKWMUNSPWYSHMH-IOASZLSFSA-N	246.394	4.573	0	10	BJAE	
CC(C)(C)CCC[C@@]1(N)CCCC(C)(C)C1	300940232	WBECNKQCHKYYRV-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
Cc1ccc(C)c(CC(=O)CCCC(C)(C)C)c1	302276610	IHZVVIHKEMFKPB-UHFFFAOYSA-N	246.394	4.631	0	10	BJAE	
CCCN[C@H](CC1CCCC1)c1cc(C)c(C)o1	306025271	OSEODWZDSNUREN-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CSc1ccc(Cl)c2cc(C)sc12	307309530	XLMFRCLYHDXYAZ-UHFFFAOYSA-N	228.769	4.585	0	10	BJAE	
CCC[C@H](CC(C)C)[C@@H](N)c1cccc(C)c1C	308068743	ZSPSFCCKANGKSC-NVXWUHKLSA-N	247.426	4.766	0	10	BJAE	
CCCC[C@](CC)(CO)C[C@H]1CCC[C@@H](C)C1	310473917	CDWXATFIIPWRSV-PMPSAXMXSA-N	240.431	4.782	0	10	BJAE	
CCCN[C@@H](CC)CC[C@H](C)C1CCCCC1	310501780	RHBMZDWVPXWOAU-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
Cc1ccccc1N[C@H]1CCCCC12CCCC2	311160087	YEVXPMQSEFRZSZ-INIZCTEOSA-N	243.394	4.910	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(O)CCCC12CCCCC2	319613394	XQIVTASKGBRKOY-DZKIICNBSA-N	238.415	4.534	0	10	BJAE	
CC[C@@H](N[C@@H](C(C)C)C1CCC1)c1ccccc1	325074456	XALKCXVDORIXQX-SJORKVTESA-N	245.410	4.552	0	10	BJAE	
Cc1ccc(N)c(S[C@@H]2C=CCCCCC2)c1	379831137	AXSZKBUWYSWSFB-CYBMUJFWSA-N	247.407	4.558	0	10	BJAE	
CCC[C@H](CNCC(C)C)CC1(C)CCCC1	379902985	IBWOLBXMPWLBAI-HNNXBMFYSA-N	239.447	4.619	0	10	BJAE	
Cc1ccc(F)cc1NCC1CCCCCCC1	382423901	UTNRKGAUKKSFPM-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
CCCc1ccccc1[C@H](NCC)[C@@H](C)CCC	384703584	ZVBGWHKQSATGHF-WMLDXEAASA-N	247.426	4.726	0	10	BJAE	
CC/C=C\CN[C@H](CCCCC)c1ccccc1	384982773	JQTLKFNSTQSTGK-ACAQERRYSA-N	245.410	4.864	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)c2cc(C)ccc2C)CC1	393355349	NLZICYNCFHWKGC-BFYDXBDKSA-N	245.410	4.520	0	10	BJAE	
CCc1cc(CC)c2scc(SC)c2c1	396176418	FGOXLAJLCSZCDR-UHFFFAOYSA-N	236.405	4.748	0	10	BJAE	
CCOc1cc(CC)cc2cc(Cl)sc12	396192309	QOEGPFCQVFXYOB-UHFFFAOYSA-N	240.755	4.516	0	10	BJAE	
CSc1c(C)sc2cc(C(F)F)ccc12	396413498	YDMULJHJNLNRAW-UHFFFAOYSA-N	244.331	4.869	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)CC1CCCC1	398649130	APLZVMMMNSBIMC-INIZCTEOSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc([C@@H](O)[C@H](C)C(C)(C)C)cc1CC	399175455	POLXXXYNULQILX-LRDDRELGSA-N	248.410	4.527	0	10	BJAE	
CC[C@@H](CC(C)C)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CC2	402208999	IPDOQWKEXIPBTN-YHUYYLMFSA-N	248.410	4.620	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H](C[C@@H]2CC=CCC2)C1	402367514	ZIEWAYKMXZJFJS-BRWVUGGUSA-N	249.442	4.681	0	10	BJAE	
CCC[C@@H](CC(C)C)[C@H](CCCC1CC1)NC	405706753	CUOBASSDDMRJNO-HOTGVXAUSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)NCC1(CCCC2CCC2)CCC1	688845893	PWIAWEGNQKRHCQ-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](CC1(CC)CCC1)[C@@]12CCC[C@@H]1C2	693146168	JSKIGVZYUBEUNX-BFYDXBDKSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC(C)C)[C@H]1CCCCC[C@H]1C	695058368	DOZXZSVZCFHOJZ-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)CC[C@H](O)C1(C)CCCCC1	696568226	QKIPZGQFBKPOBC-ZDUSSCGKSA-N	226.404	4.534	0	10	BJAE	
C[C@@H]1C[C@H](N[C@H]2C=CCCCCC2)CC(C)(C)C1	708251318	MOFHZHBLRFYWCB-PMPSAXMXSA-N	249.442	4.680	0	10	BJAE	
CC[C@@H](C[C@H](O)CCCC(C)C)C(C)(C)C	711178081	LHDZSVYZBWGZQF-UONOGXRCSA-N	228.420	4.636	0	10	BJAE	
CCN[C@@H](CCCC1CCC1)CCC(C)(C)C	711180058	AWSJDMFOQSKISH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(C)CC[C@@H](NC)C(C(C)C)C(C)C	711330536	UCYNFAWCPJMHMA-CQSZACIVSA-N	241.463	4.719	0	10	BJAE	
CSc1ccccc1NCC(C)(C)C(C)C	713129511	KVVMJPTTWAZVOB-UHFFFAOYSA-N	237.412	4.503	0	10	BJAE	
C=C/C=C\CCCc1ccc(F)c(Cl)c1	713743309	AFYOOPCTGAZPQG-ARJAWSKDSA-N	224.706	4.544	0	10	BJAE	
CCC(CC)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	714423424	KRPZKEXOFAVFTE-QLFBSQMISA-N	236.399	4.598	0	10	BJAE	
CC(C)CCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	714425898	UNWBDSWHEAQQIK-SOUVJXGZSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@H](N)C(C1CCC1)C1CCC1	718531986	YLMNUQUNWZNQIF-INIZCTEOSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@@H](CCC(C)=C(C)C)[C@H]1CC1(C)C	718652891	PCKDSKJZKYXCQR-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(CSc2ccccc2F)c(C)c1	1307283377	FMXMAHACFGITHQ-UHFFFAOYSA-N	246.350	4.735	0	10	BJAE	
CCCCCCN(C)CCCCc1ccccc1	1656995882	GVGDGWALXSLQDL-UHFFFAOYSA-N	247.426	4.521	0	10	BJAE	
CCC1(CC)CCC(N[C@@H]2CCC2(C)C)CC1	1662427217	GCWJOSCZZXNWOR-CQSZACIVSA-N	237.431	4.514	0	10	BJAE	
CC(C)=C(C)CC[C@](C)(O)CCCC(C)C	1900582120	AXXJJESUKWWACG-OAHLLOKOSA-N	226.404	4.700	0	10	BJAE	
CCC(CC)CC[C@@](C)(N)C1CCCCC1	1900704568	WPPXERDBTVCDJW-OAHLLOKOSA-N	225.420	4.501	0	10	BJAE	
CCC(CC)CCC(=O)c1csc(C)c1C	1900710154	SRHRSTDPYSFHNV-UHFFFAOYSA-N	238.396	4.764	0	10	BJAE	
CC1(C)C[C@H]1c1csc(C2CCCCC2)n1	1901908709	ONYIWMCMQDPUED-NSHDSACASA-N	235.396	4.704	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(N)[C@@H](C)CC(C)C	1905430637	CYMKIMICIAJAMQ-SOUVJXGZSA-N	227.436	4.602	0	10	BJAE	
CCCC[C@H](CC)CN(C)CCC[C@@H]1C[C@H]1C	1909987246	FYCGZQFFCXJEOI-OWCLPIDISA-N	239.447	4.571	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C=C(CN)C1CCCCC1	1911793802	QLJWPYAGHQIAJG-GDBMZVCRSA-N	249.442	4.668	0	10	BJAE	
CCC1(C[C@H](N)[C@@H](C)C2CCCCC2)CCC1	1924126619	RFQBJNIVZYDENB-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](CC(=O)[C@H](C)C1CCCCC1)C1CCC1	1924131930	WJEAPSJEIWVMQD-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CC1(C[C@@H]2[C@H](CN)CCC23CCC3)CCCCC1	1924813059	JYBBPJXXSKVXHP-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
CCN[C@H](CC1CCCC1)C[C@H]1C=CCCCC1	1925890879	HOQWAAFSPFMBKP-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CCCNCCC(C)(C)C[C@H]1C=CCCCC1	1925893478	UKTZDPIHDCUVQP-HNNXBMFYSA-N	237.431	4.539	0	10	BJAE	
CCCC(CCC)[C@@H](N)c1csc(Cl)c1	1933607155	HQNQVFUOHMJLFF-GFCCVEGCSA-N	245.819	4.618	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](O)(CCCC2(C)CC2)C1	1940870591	VDJWFCQBKGKMQO-GDBMZVCRSA-N	238.415	4.534	0	10	BJAE	
CC1(CCC[C@@H](N)[C@@H]2CCCCC2(C)C)CC1	1940873522	BXERUUXCSJNJMV-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)CC1CCC(C)(C)CC1	1941269381	PRIUKAJZCOOQGM-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CCc1ccc(NCCCCCC2CC2)cc1	1941575996	FLXKXMDYKJMKSN-UHFFFAOYSA-N	231.383	4.631	0	10	BJAE	
CN[C@@H]([C@H](C)CCC(C)C)C(C)(C)C(C)(C)C	1942652118	DOUDWYDSOFXZTP-KGLIPLIRSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H]([C@H](C)CCC(C)C)C1(C)CCC1	1942653502	QZABJFABLZCNGZ-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H]1CC[C@H](F)C1)C(C)(C)C	1945205055	CMBSHVLNSCCLKS-UPJWGTAASA-N	242.378	4.546	0	10	BJAE	
C[C@@H](C(=O)c1cccc2sccc12)C1CCC1	1945963713	XXCBYMQZHWSPAW-SNVBAGLBSA-N	244.359	4.520	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@@]1(O)CCCC(C)(C)C	1947517306	ZQOBSCQMUDBIAS-FMKPAKJESA-N	240.431	4.636	0	10	BJAE	
CCc1ccc(N[C@@H](C)[C@@H](C)CC(C)C)cc1	1948327551	PTCUKZHSBGTPRG-KBPBESRZSA-N	233.399	4.732	0	10	BJAE	
CC(C)CCCCC[C@@H](N)[C@H]1CCCC[C@H]1C	1948993843	JKGASNLECXVAGQ-OWCLPIDISA-N	239.447	4.747	0	10	BJAE	
OCC1(CCCC2CCCCC2)CCCCC1	1950372728	PGUSOSLVOZWRRE-UHFFFAOYSA-N	238.415	4.680	0	10	BJAE	
CC=C[C@H](NCCC)[C@H]1CCCC(C)(C)CC1	1950914860	UJCDPKNCZARNCX-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)CC2CCCC2)CC1	1950916528	BGDXZVSVGXEHBY-CQSZACIVSA-N	236.399	4.742	0	10	BJAE	
CC(C)=CCc1cc(Cl)ccc1Cl	1954018885	FNTKWYWYWBNEAE-UHFFFAOYSA-N	215.123	4.502	0	10	BJAE	
CCC1(CN[C@@H]2CC[C@@H]3CCCC[C@H]32)CCCC1	1965922181	AVQUPZSBIFPLDA-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2C2CC2)CC1	1966047597	FTAURAGSWDIKHJ-XLNGHYISSA-N	249.442	4.514	0	10	BJAE	
CC(C)c1ccccc1OC[C@@H]1CCC2(CC2)C1	1968367347	XLWHFRXOJRWZSN-CQSZACIVSA-N	244.378	4.769	0	10	BJAE	
CCCCC1CC(N[C@H](C)c2ccc(C)cc2)C1	1968547949	NMLVYCZLPOTCMY-HPUBIQBYSA-N	245.410	4.614	0	10	BJAE	
CCCC1CCC(CN(C)CCC(C)C)CC1	1968928469	AYNGZUPSHYBAOK-UHFFFAOYSA-N	239.447	4.571	0	10	BJAE	
CC1(C)CC[C@H](CNc2ccccc2C2CC2)C1	1969417099	SXXWTAQXLSBBOY-ZDUSSCGKSA-N	243.394	4.802	0	10	BJAE	
CCC1(CNC2CC3(C2)CC(C)(C)C3)CCCC1	1971017096	ZCJQWPGEQOJOLJ-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CCCC(CCC)CN[C@H]1CCCCC12CC2	1972730644	YUDJGVXCGFJFKK-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](CN[C@H](CC)c1ccc(C)cc1)C(C)C	1973382986	AXOUEGFUUITGDJ-NVXWUHKLSA-N	247.426	4.718	0	10	BJAE	
C[C@H](N[C@H]1CCCC2(CCCCC2)C1)C1(C)CC1	1973862781	FZCOATLZFFMVEL-GJZGRUSLSA-N	249.442	4.658	0	10	BJAE	
CCCC[C@@H](C)NC1CCCCCCCC1	1980336738	MRZXDQXOKSDBCG-CQSZACIVSA-N	225.420	4.658	0	10	BJAE	
CC[C@@H](CCC(C)C)NCCC(C)=C(C)C	1986972291	XRYYHKRLUCQLCA-HNNXBMFYSA-N	225.420	4.537	0	10	BJAE	
Cc1cc(O[C@H]2CCC[C@H]2C)c(C)cc1Cl	1989922788	PNFVFDJVKAZPSG-RNCFNFMXSA-N	238.758	4.524	0	10	BJAE	
Cc1cc(CC2CC(=C3CCC3)C2)sc1C	1993985885	CVLREIWOBQWIPS-UHFFFAOYSA-N	232.392	4.798	0	10	BJAE	
CCCC[C@@H](CCC)NCC12CCC(CC1)C2	1997007337	DHHOUFPGSMPOOY-HWOWSKLDSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C[C@@H]1CCC=CCCC1)C(C)C	1999991788	SBJXBRVACMFUSI-HZPDHXFCSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](NC[C@@H]1CCC=CCCC1)c1cccs1	1999995938	KIHRLMYHIXFTDA-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
CC1CCC(CC(=O)[C@H]2CC[C@H](C)CC2)CC1	2003066458	CGPFHKPCTPUKIQ-MDPANVJJSA-N	236.399	4.598	0	10	BJAE	
CCCCCC[C@@H](NCC)[C@@]1(C)C=CCCC1	2003319759	CGJFFGUZWHYINR-CVEARBPZSA-N	237.431	4.681	0	10	BJAE	
CCC1(C)CCC(O)(C2CCCCCC2)CC1	2004340185	XPWHYQIDTCCXBJ-UHFFFAOYSA-N	238.415	4.678	0	10	BJAE	
CN[C@@H](CCC1CC1)C1(C)CCCCCCC1	2004923129	NQTHIWSGUXGCJP-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCc1ccc(NC2CC[Si](C)(C)CC2)cc1	2006999316	XWPASSRTPLQTND-UHFFFAOYSA-N	247.458	4.532	0	10	BJAE	
CCCN[C@H](CC1CC(CC)C1)C[C@H](C)CC	2007804222	YRGZXFYHTHRMNF-LMPOIIKSSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](NCCC)C(F)F	2008313372	FSJUDFAWXXKLPZ-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CC=CCCCCc1ccccc1C(F)(F)F	2009589941	QHZAWQONTDJJEB-UHFFFAOYSA-N	242.284	4.994	0	10	BJAE	
CCCCCC1CC(N[C@H](C)C(C)(C)CC)C1	2009720508	VGALVVYJJPQUPV-WLYUNCDWSA-N	239.447	4.760	0	10	BJAE	
CC(C)(C)[C@H]1CC=C([C@](C)(N)C(C)(C)C)CC1	2010727898	ADVYMTVAWWYTSU-LRDDRELGSA-N	237.431	4.523	0	10	BJAE	
CCCN[C@@H](CC1=CCC(C)(C)CC1)C(C)C	2010768543	JTBJNIOOTNRZHL-HNNXBMFYSA-N	237.431	4.537	0	10	BJAE	
Cc1ccc(CC2CC(=C3CCC3)C2)cc1C	2011087314	NBOICSGRFUCJFY-UHFFFAOYSA-N	226.363	4.736	0	10	BJAE	
CC(C)CCCCC[C@](C)(O)C1CC2(CC2)C1	2012412759	PSLPBGRUNBYHNN-HNNXBMFYSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](NCC)c1sc2ccccc2c1C	2014294547	XLVVXUUPZCFSNA-ZDUSSCGKSA-N	247.407	4.660	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@H](C)C2(C)CCCC2)CC1	2014340096	PBJOMVVVHQXDNK-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@@H]1CCC1(C)C	2014850377	VHLLKSNGENRBKB-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@@H](CCC=C(C)C)[C@H]1CCC1(C)C	2014851403	CSQSUNSUBVQORD-CABCVRRESA-N	237.431	4.537	0	10	BJAE	
CCCC1(C[C@@]2(O)CCCCC[C@H]2C)CCC1	2015636521	YWSKDGIMCHLNDG-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@H](O)C2(C(C)C)CCC2)CCC1	2015640184	PIAITKITHYOCON-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@H](O)CC1(C(C)(C)C)CCC1	2017115061	SWAXJFLSRYJZDX-UONOGXRCSA-N	240.431	4.636	0	10	BJAE	
CCCCC[C@@H](C)NCC1(C(C)(C)C)CCC1	2017136718	NAJLMJXUFUUBDI-CQSZACIVSA-N	239.447	4.761	0	10	BJAE	
CCN[C@H](C(C)=C(C)C)C1(C)CCCCCC1	2017477903	MKCGAQYOQJIBIS-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCNCCC(C)(C)CC1CCC(CC)CC1	2017732344	AHFSAJCQQMJGLN-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCC1CCC(C[C@@H]2CCCC(=O)[C@H]2C)CC1	2017775051	XAFVEZBCGPELLB-PPWQZUPISA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@](N)(CC)CC1CCC(C)CC1	2018131863	VPACNIKQYBBCSK-UYSNPLJNSA-N	239.447	4.891	0	10	BJAE	
CCCCC[C@@H](CC)N[C@@H]1CCCCC1(F)F	2018133254	CCMRPYXTJGAREK-CHWSQXEVSA-N	247.373	4.513	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCC[C@@H](C)[C@@H]1C	2018138701	JKQSQLWVJBGVPI-FXUDXRNXSA-N	239.447	4.760	0	10	BJAE	
CCCCC[C@H](CC)N(C)C[C@H]1CC[C@H](C)C1	2018182961	KOLFHZNOOYLLEJ-JYJNAYRXSA-N	239.447	4.713	0	10	BJAE	
CCCC1(C[C@]2(O)CCC[C@H](C(C)C)C2)CC1	2018980646	RXDHXXSKBIPISY-HOCLYGCPSA-N	238.415	4.534	0	10	BJAE	
CCCNC[C@@](C)(CCC)CC1(CCC)CC1	2018983388	WCZOQMBGXYWBTK-HNNXBMFYSA-N	239.447	4.763	0	10	BJAE	
CCCC[C@@H](CC)N(C)[C@H](C)c1ccccc1	2019109544	DCXBVAAPAPUIJQ-GDBMZVCRSA-N	233.399	4.648	0	10	BJAE	
CCCN[C@@H]1[C@H](C(C)=C(C)C)CCCC1(C)C	2020351997	PEGXDJXMEVHMQR-LSDHHAIUSA-N	237.431	4.537	0	10	BJAE	
CCCN(C1CCCCC1)[C@H]1CCCC[C@H]1C	2020533581	BTSLCLRSUAEUJL-ZBFHGGJFSA-N	237.431	4.610	0	10	BJAE	
CC=C(CC)[C@](C)(N)C1CCC(CCC)CC1	2020922404	WLXKZBNWOHOZNN-BCLQGDPASA-N	237.431	4.667	0	10	BJAE	
CCC[C@H]1C[C@H]1C(=O)c1csc2ccccc12	2022411637	JQHBOSBBXZJUSR-CMPLNLGQSA-N	244.359	4.520	0	10	BJAE	
CCN[C@@H]1[C@@H](C)CCC[C@@H]1CCC(C)(C)CC	2024002623	AFYODIMNICBFOM-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)CC[C@H](O)c1cccc(C)c1	2026140781	DGVDZQZVBQWTHV-BBRMVZONSA-N	234.383	4.635	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](N)C[C@H]1C=CCCC1	2026167290	QGGTYDHSGFNRKA-HRCADAONSA-N	237.431	4.667	0	10	BJAE	
C[C@@H](CC1CCC(C)(C)CC1)c1cccc(N)c1	2027955114	YVMLAAZEHHEREE-ZDUSSCGKSA-N	245.410	4.979	0	10	BJAE	
CC(C)CCC[C@@H](O)c1ccccc1C1(C)CC1	2028558070	SVXDULDBRGANJQ-MRXNPFEDSA-N	246.394	4.598	0	10	BJAE	
CC[C@H](C)c1ccc(C(=O)[C@H]2CC[C@H](C)C2)cc1	2033401338	IQHUIMDEIVIVOM-XEZPLFJOSA-N	244.378	4.819	0	10	BJAE	
C[C@H]1CCC[C@@H](C2(N)CC(C3CCCCC3)C2)C1	2033783945	OEBRXCXWYZEJEY-MHABSNSOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@]1(N)C[C@@H]2CCCCC[C@@H]2C1	2035853046	PRJXNTCBXRJWBH-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
CCC1([C@@H](N)c2cccc(C3CCC3)c2)CCC1	2037089458	FLMDAVTXTUOMCS-INIZCTEOSA-N	243.394	4.534	0	10	BJAE	
N[C@@H](CC1=CCCCC1)[C@H]1CCC2(CCCC2)C1	2037588337	VAVGJIGODQRICH-HOTGVXAUSA-N	247.426	4.565	0	10	BJAE	
CC(C)c1ccc2[nH]c3c(c2c1)[C@H]1CCC[C@@H]1C3	2038552382	IUUQQDIJXKUBCN-OLZOCXBDSA-N	239.362	4.731	0	10	BJAE	
C[C@@H]1CCCC[C@@]1(C)NC[C@H]1CC12CCCCC2	2039078391	HPSRFOOPWZICBS-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@@H]1CCC[C@H](C)CC1	2039367475	VWWBZZNUEDHASJ-BBWFWOEESA-N	249.442	4.703	0	10	BJAE	
CC[C@@H](NCC[C@H]1CC=CCC1)C1CCCCC1	2040676726	GTMGBFNLGYGQEY-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
C=CC=CCCN[C@H](CC)C1CCC(C)(C)CC1	2040684615	UODODDJUMIMNGD-MRXNPFEDSA-N	249.442	4.703	0	10	BJAE	
Cc1cccc(C)c1[C@H](O)[C@H]1CCCC(C)(C)C1	2045364969	HKUQNGQWJUOWDF-GOEBONIOSA-N	246.394	4.553	0	10	BJAE	
CC1(C)CCC[C@@H](c2ccc3c(c2)CCCN3)C1	2045506199	PMEJLHFFIGCGLV-OAHLLOKOSA-N	243.394	4.729	0	10	BJAE	
CC(C)CN(C[C@H]1C=CCCCC1)C1CCCC1	2046576188	ZCFISMWXCNNCMJ-INIZCTEOSA-N	249.442	4.633	0	10	BJAE	
CC(C)c1ccccc1C(=O)CC1(CF)CCC1	2046912460	BNQACDQTDWXLDN-UHFFFAOYSA-N	248.341	4.523	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC12CCCC2)C1(C)CCC1	2047009851	RYKYRFWDSLNRRH-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CCN[C@@H]1CCCC[C@@H]1C[C@H]1CC12CCCCC2	2047017091	SVKDWRPXGOFNCI-OWCLPIDISA-N	249.442	4.515	0	10	BJAE	
CN[C@H](CCC1CCC1)C[C@@H]1CC12CCCCC2	2047020303	OQWSFRBGDNBQIN-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(CNC[C@]2(C)CC=CCC2)CC1	2047716718	XOIGKYCGNREVFZ-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
CC1(C)C[C@@H]1CCCC(=O)C1[C@H]2CCCCC[C@H]12	2048369559	FRORCKIETCXUOO-IHRRRGAJSA-N	248.410	4.598	0	10	BJAE	
C1CCCC(CCN[C@@H]2[C@H]3CCCCC[C@H]32)CC1	2048379642	BBYHECCRLAHIBH-FVQHAEBGSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@H]([C@](C)(N)C[C@H]2CC=CCC2)C1	2049539831	JPUSXRZMPUDTAR-YQQAZPJKSA-N	249.442	4.667	0	10	BJAE	
C[C@@H]1CC[C@@H](C)c2[nH]c(CC3(C)CCCC3)nc21	2049790338	AKLIVJOXUCYIDV-VXGBXAGGSA-N	246.398	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@H](N)c2ccccc2C)C1	2050461591	XEGGNMZRANTENF-VYDXJSESSA-N	245.410	4.601	0	10	BJAE	
CC(C)=CCC[C@]1(CNC(C)C)CCCC12CC2	2053360759	RIIYNGAHBLDYJN-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
F[C@@H]1CCCC[C@H]1Nc1cccc(C2CCC2)c1	2055146530	MXRMHAMIABDKKF-HZPDHXFCSA-N	247.357	4.647	0	10	BJAE	
F[C@@H]1CCCC[C@@H]1C[C@H]1CCNc2ccccc21	2055176402	YWJBGEVLSGHDHR-UMVBOHGHSA-N	247.357	4.504	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	2055226810	WEAQMDIUDGMLNW-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CC1=C(C)[C@H](NCC2C[C@@H](C)C[C@H](C)C2)CCC1	2055551753	IUWCDBZXBZIVJY-GDZNZVCISA-N	249.442	4.537	0	10	BJAE	
CCN[C@H](C[C@@H](C)C1CC1)C1=CC[C@@H](CC)CC1	2061083853	GCVCFKNFAMUVFC-CKEIUWERSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](C1=CCC(C)(C)CC1)[C@@H](C)C1CC1	2061091803	LJZKVXJKRNPYDS-XJKSGUPXSA-N	249.442	4.537	0	10	BJAE	
C=C=CCC[C@]1(CNC(C)C)CCCC(C)(C)C1	2061563214	MPZJJBBVMSWUMY-KRWDZBQOSA-N	249.442	4.692	0	10	BJAE	
C[C@H]1CCC[C@@](N)(CC2CC3(C2)CC(C)(C)C3)C1	2063204010	LMDMMJRFIHQPDY-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC(=O)C[C@@H](C[C@H]2CC3CCC2CC3)C1	2063717730	ROSUKINFLJMASP-HXSCFSKGSA-N	248.410	4.598	0	10	BJAE	
CCC1CCC(NCC23CCC(CC2)CC3)CC1	2065262079	FRPNKDCWKSLIMG-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCC[C@@H]1[C@H](N)CC12CCC(CC1)CC2	2065280214	RUZDCPABOBNQIE-SFOJROILSA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(NCC23CCC(CC2)CC3)c1	2065301786	ZTLBVVZYYOZXSA-UHFFFAOYSA-N	243.394	4.631	0	10	BJAE	
C[C@H]1C[C@H]1CC1(N)CCC2(CCCCCC2)CC1	2065896138	CNQWXQKIIJBXMM-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccccc1[C@@](C)(O)CCC=C(C)C	2070394838	ISFRWUVMVJLARM-KRWDZBQOSA-N	246.394	4.593	0	10	BJAE	
CC(C)(C)CCC(=O)C1CC(c2ccccc2)C1	2071409661	WGDKNFOUYLHEMZ-UHFFFAOYSA-N	244.378	4.576	0	10	BJAE	
C[C@@H]1CCC[C@H]([C@H](N)C[C@]23CCCC[C@@H]2C3)CC1	2074024789	KFHNJGWSXJCNRP-ZHCJQAHYSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCCCCN1[C@H]2CC[C@H]1CC1(CC1)C2	2075146835	FVQNTQUDPCAJRG-HOTGVXAUSA-N	249.442	4.610	0	10	BJAE	
CC1(C)C[C@@H]1CC(=O)C[C@@H]1C[C@@H]1C1CCCCC1	2079843399	QYTWMDLYESIZBY-IJEWVQPXSA-N	248.410	4.598	0	10	BJAE	
CCCNC[C@]1(CC=C2CCC2)CCC[C@H](C)C1	2081676604	WHJGQCFUNUDZRG-RDJZCZTQSA-N	249.442	4.683	0	10	BJAE	
CC1(C)CCC[C@H](C[C@@]2(CN)CC23CCCC3)C1	2082986908	OJLOGWLBCDGWDZ-YOEHRIQHSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H]1C[C@H](C2(C)CCC2)C12CCCCC2	2083324905	HIFAHFRNQJPDHK-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CC=C(CC=Cc2ccccc2)CC1	2210661973	HXFAORSOKITEAZ-CQSZACIVSA-N	212.336	4.836	0	10	BJAE	
CC[C@H](CCN)CCCCCCCC1CC1	2212465023	YFRWBWPBQVDRIE-AWEZNQCLSA-N	225.420	4.502	0	10	BJAE	
CC1=CCCC[C@]1(N)CCCCCCC1CC1	2213576430	PNMGPUWDWRNHHP-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC[C@@H]1C[C@@H]1CC[C@@](O)(CC)C1CCCCC1	2215236916	MJOFEDXLHGSPRD-YCPHGPKFSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](c1ccccc1)C(C)(C)CCC	2216285143	IVFAXBKWWRLAKX-OAHLLOKOSA-N	233.399	4.554	0	10	BJAE	
CC(C)(F)C[C@H](N)CCCCCCCC1CC1	2216879833	NODYAVSTISIXJK-CQSZACIVSA-N	243.410	4.593	0	10	BJAE	
c1cc(NCc2ccc(C3CCC3)cc2)cs1	2217206757	AGGWTFYEMPUZRX-UHFFFAOYSA-N	243.375	4.628	0	10	BJAE	
C(CCC[C@@H]1CC[C@@H]2NCC[C@@H]2C1)CCC1CC1	2218721412	RDTKZCKTJDULKL-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(C)c([C@@H](N)CCCCC2CC2)c1	2220044130	DFPQRPYEPCBZTM-KRWDZBQOSA-N	245.410	4.582	0	10	BJAE	
Cc1cc(F)ccc1NCC1(C)CC2(CCC2)C1	2221024890	GEQWAEFNUKKYEC-UHFFFAOYSA-N	247.357	4.516	0	10	BJAE	
CC(C)(C)[C@H]1CCC[C@@](N)(C2CC3(CCC3)C2)C1	2222262903	WLIPUWUIEIISKV-GUYCJALGSA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@]1(CNC2CCC2)C=CCC1	2223551910	AWXAKOVATBSLEL-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCC(C)(C)CC[C@@]1(CNC2CCC2)C=CCC1	2223551913	AWXAKOVATBSLEL-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C)Nc1cc(Cl)c(Cl)cc1C	2241458431	WEUIOAMFBJDGRX-MRVPVSSYSA-N	232.154	4.512	0	10	BJAE	
Cc1cscc1NCCCCC[C@@H]1C[C@H]1C	2243922307	PCQGKKHVUWIWBQ-DGCLKSJQSA-N	237.412	4.685	0	10	BJAE	
CCC[C@@H](CC)CN[C@@H](CC)CCC(C)C	2244804762	FNXWADQNORAVLJ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CC(C)(C)CCNc1cc(C2CC2)ccc1F	2250120748	IONWQVSCYZXHLO-UHFFFAOYSA-N	235.346	4.551	0	10	BJAE	
CCC[C@H](CC)CN[C@H]1C[C@H](C)CC(C)(C)C1	2250379193	SAFFZOWVDZHHOE-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CCC(=O)C1CC(F)C1	2250482935	XUJIHUICBGZXNR-HSBZDZAISA-N	242.378	4.546	0	10	BJAE	
CCC(C)(C)CC[C@H](O)[C@@]12CCCC[C@H]1CC2	2251129052	RDOXUELIJUSAJB-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H](C)C[C@@H]1CCNc2ccc(F)cc21	2251636383	NPLBJGGPMZHQBX-NEPJUHHUSA-N	235.346	4.551	0	10	BJAE	
N[C@@H](CC[C@H]1CCCCC12CC2)C1CCCCC1	2253858909	XBTJLOMNPNLTKT-CVEARBPZSA-N	249.442	4.645	0	10	BJAE	
c1ccc2c(c1)NCC[C@@H]2C[C@@H]1CCC12CCC2	2254845328	HOUNJUTZORQVHA-KGLIPLIRSA-N	241.378	4.556	0	10	BJAE	
CCNCC1(CC[C@H]2CCCC23CC3)CCCC1	2255256907	SDBLVRLWKNQABE-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CC(C)C1CC(C(=O)CC[C@@H]2CCCC23CC3)C1	2255303727	MEZKVDOMIUJPPJ-NRXISQOPSA-N	248.410	4.598	0	10	BJAE	
CCCC1(C[C@H]2[C@H]3CCC[C@@H]2C[C@@H](N)C3)CCC1	2258012827	SRIIVEBOPGMGJH-LDKKBFSKSA-N	249.442	4.501	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](N)C[C@@H]1C[C@H]1C(C)C	2297876249	JUSYJNDXEQGNOD-WCVJEAGWSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)CC[C@@H](O)[C@@]12CCCC[C@@H]1CC2	2298695938	RDOXUELIJUSAJB-IIAWOOMASA-N	238.415	4.534	0	10	BJAE	
C[C@@H](CC1CCC1)[C@](C)(O)CC1CCCCC1	2298857466	HNYFWSRUANTHFT-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
C[C@H](CC(=O)[C@@H](C)CC1CCC1)CC(C)(C)C	2298904137	FXCHZVFHEIDWTM-OLZOCXBDSA-N	238.415	4.844	0	10	BJAE	
CC(=CCC(=O)[C@]12CC[C@H]1C2)CCCC(C)C	2300923840	MWVUVQGTLJBDEJ-HOCLYGCPSA-N	234.383	4.518	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@H](O)C1CCCCCCC1	2301834017	VYIIKBLHVAAXOQ-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)CCCC1=CCCCC1	2302343525	WTZMLZJLNOFYPQ-HOTGVXAUSA-N	237.431	4.811	0	10	BJAE	
CCCCCC[C@@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303464719	HRRZYMSYHSXCCJ-RRFJBIMHSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)[C@H](N)C[C@@H]1CC[C@H]1C(C)(C)C	2303470168	IHVWHBLLYYCLCY-BYNSBNAKSA-N	239.447	4.602	0	10	BJAE	
CCC(C)(C)[C@](C)(O)C[C@H]1CCC(C)=C(C)C1	2303523504	KKJXHQQWLSEBFT-GOEBONIOSA-N	238.415	4.700	0	10	BJAE	
CCCC[C@H](CC[C@@H]1CCC(C)=C(C)C1)NC	2303582075	DINDPWBNGASOOM-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
C[C@@H]1C[C@H]1CCC(=O)CC[C@@H]1CCC(C)(C)C1	2304428356	MDTCJSPKVPHJCC-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C(=O)CC[C@H]1CCC(C)(C)C1	2304435110	HDZRSASIUDVZNW-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CCC1CC1)N[C@@H]1C[C@H]1C1CCCCCC1	2311539640	KQCULCARIJTGPG-RRQGHBQHSA-N	249.442	4.514	0	10	BJAE	
Cc1cc(C)cc(NC(CC2CC2)CC2CC2)c1	2313592740	DRKLNTLWIYUXPJ-UHFFFAOYSA-N	243.394	4.684	0	10	BJAE	
CCC[C@H]1CCCCN1C(CC1CC1)CC1CC1	2313609642	SSRKIZOSOXBZDV-INIZCTEOSA-N	249.442	4.610	0	10	BJAE	
C1CCCC(C[C@@H]2CC[C@@H]3CCCC[C@@H]3N2)CC1	2317014166	WQTBLFJHRGMRFX-ULQDDVLXSA-N	249.442	4.658	0	10	BJAE	
CN[C@@H](CCCC1=CCCCC1)[C@H]1CC=CCC1	2318579631	IHAOIKSGJSNODP-IRXDYDNUSA-N	247.426	4.601	0	10	BJAE	
CC(=CC=CC1(N)CCCCC1)CCCC(C)C	2318959064	ZZFLNRLGYAOHMP-UHFFFAOYSA-N	249.442	4.977	0	10	BJAE	
CC1(CC[C@@H]2CN[C@@H]3CCC[C@H]3C2)CCCCC1	2319506121	KEMVDGHOOONWKZ-HRCADAONSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](N)C[C@H]1C=CCCCC1	2320220385	XVABSMSMSPUROZ-JONQDZQNSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC(C)=C(C)C1)C1CCCC1	2320412642	KJCBENGFDXAGPW-WBVHZDCISA-N	249.442	4.681	0	10	BJAE	
CCCN[C@@H](CC[C@@H]1C[C@H]1CC)[C@@H]1C=CCCC1	2320432579	MBIJKNLGXOGSDB-VQHPVUNQSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc(N(C)CC[C@H]2CCC(C)(C)C2)cc1	2321641818	IIQCPUCMRNKREE-OAHLLOKOSA-N	245.410	4.648	0	10	BJAE	
CC1(C)CC[C@@H](CCC(=O)[C@@H]2CCC3(CC3)C2)C1	2321642583	PMHHVLPQBQOSBU-ZIAGYGMSSA-N	248.410	4.742	0	10	BJAE	
Cc1ccc(C(C)C)c(-c2cccc(O)c2F)c1	2327681653	RESYEAXFLUDNDM-UHFFFAOYSA-N	244.309	4.630	0	10	BJAE	
CCC(CC)C[C@@H](N)c1cc(C)ccc1C(C)C	2327795201	RAUPELZPYSMXQP-QGZVFWFLSA-N	247.426	4.945	0	10	BJAE	
CCCCCCc1ccc([C@@H](O)C(C)(C)C)cc1	2327897944	DUSIYUVUWHQFCH-MRXNPFEDSA-N	248.410	4.889	0	10	BJAE	
CCC[C@H](CC)CN1C[C@H](C)[C@@H]1c1ccccc1	2328083627	NYQSWKYTJNPYPB-YQQAZPJKSA-N	245.410	4.506	0	10	BJAE	
CCC[C@@H](CC)C[C@@](N)(CC)Cc1ccccc1	2328191813	YOYJHPGBPSNHCJ-WBVHZDCISA-N	247.426	4.553	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(O)c1cc(C)ccc1C	2328212805	KJMLVBXLEFCICJ-WBVHZDCISA-N	248.410	4.727	0	10	BJAE	
CCCCc1ccc(NC[C@@H]2CC=CCC2)cc1	21504089	QDDYMVCQVGXTIL-MRXNPFEDSA-N	243.394	4.797	0	10	BJAE	
C[C@@H](NC1CCCCCCC1)c1cccc(F)c1	21504127	OPZJEINQORGLBA-CYBMUJFWSA-N	249.373	4.589	0	10	BJAE	
CC[C@@H](C)C[C@@H](CC)Nc1ccc(Cl)cc1	21810062	CITHGNWPRPEPNQ-DGCLKSJQSA-N	239.790	4.967	0	10	BJAE	
CCN[C@H](CCC1CCCCC1)c1ccccc1	35540566	IGRJUJSXGIEWGB-QGZVFWFLSA-N	245.410	4.698	0	10	BJAE	
CC(C)C[C@H](C)Nc1ccccc1C(C)(C)C	36956578	QXESCDVKHAQPCP-ZDUSSCGKSA-N	233.399	4.831	0	10	BJAE	
C[C@@H](Nc1ccccc1)c1ccc(F)cc1Cl	37186116	GBGYMYXMNZACTA-SNVBAGLBSA-N	249.716	4.652	0	10	BJAE	
Cc1ccc(C(=O)CCCC2CCCCC2)cc1	38977432	MPQOCKALDALYJP-UHFFFAOYSA-N	244.378	4.928	0	10	BJAE	
CC[C@H]1CCCC[C@H]1N[C@@H]1CCCC[C@@H]1CC	57218547	CXWYZNJUCCUIRB-CAOSSQGBSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](CCC)CCC[C@@H](C)CCC	70745734	CSQVGBHAWFSNRJ-GJZGRUSLSA-N	227.436	4.761	0	10	BJAE	
C[C@H]1CC[C@H](Nc2cc(Cl)cc(Cl)c2)C1	70748061	WRTGCOPSNKGOLA-KWQFWETISA-N	244.165	4.594	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(O)CCC[C@H](CC)C1	71127056	QWSPMWRQDXSGBK-HRCADAONSA-N	240.431	4.924	0	10	BJAE	
C[C@H](c1c(Cl)cccc1Cl)C(F)(F)F	75839683	WBBASJFGJQHDQT-RXMQYKEDSA-N	243.055	4.659	0	10	BJAE	
CCCC[C@H](CC)CC(=O)CS[C@@H](C)CC	83498326	VVGKDXACYIHUPQ-STQMWFEESA-N	244.444	4.694	0	10	BJAE	
CCCC(=O)c1cc2cccc([C@H](C)CC)c2o1	88071822	JZTHBRQDRWKITF-LLVKDONJSA-N	244.334	4.929	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2cc(C)cc(F)c2)C1	91510740	XPVLTXCOGVJTQE-OCCSQVGLSA-N	235.346	4.515	0	10	BJAE	
CCCCCC(C)(C)CN[C@H]1CC[C@H](CC)C1	94984867	VLXQSPWDNVCOTI-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
C/C=C\CCc1cc(C(C)(C)C)ccc1C	107600132	NVPUDLAFBCECRQ-SREVYHEPSA-N	216.368	4.801	0	10	BJAE	
CC[C@H](C)[C@H](C)Nc1cccc(OCC(C)C)c1	109905488	QLQHRFCTSMHXIJ-KBPBESRZSA-N	249.398	4.568	0	10	BJAE	
CC(C)c1ccc(Oc2ccnc(Cl)c2)cc1	111465310	HQDLOKSDYXPKPZ-UHFFFAOYSA-N	247.725	4.651	0	10	BJAE	
Cc1cc(Cl)c(-c2cc(N)ccc2C)cc1C	128496567	MEMFYIOJLRPMCU-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](C)[C@@H](C)CNCCC	132977106	MAAOUPPFQHSSQA-PMPSAXMXSA-N	241.463	4.865	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@H](C)c1ccccc1	159804430	OGMDLCZXUHZLCK-LZWOXQAQSA-N	233.399	4.552	0	10	BJAE	
CCC[C@H](C)C(=O)C[C@@H]1CCCc2ccccc21	164351909	LBJOVCUXMROPSE-ZFWWWQNUSA-N	244.378	4.502	0	10	BJAE	
CCc1cccc(C(=O)[C@H]2CCC[C@@H](CC)C2)c1	168002765	YIUZQZWYTRTPSB-ZBFHGGJFSA-N	244.378	4.648	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](O)C1(C)CCCC1	168916101	PXCVTQXTQWGFCF-ZIAGYGMSSA-N	226.404	4.534	0	10	BJAE	
CCCC(CCC)[C@H](O)c1c(C)cc(C)cc1C	212067814	QSTUYGLATBESHK-KRWDZBQOSA-N	248.410	4.862	0	10	BJAE	
CCC[C@@H]1CCC[C@H](NC[C@@H]2CC=CCC2)CC1	226537897	XMVJRYDJAFBCQM-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H](N)c1cc(C)cc(C)c1	229327720	NFWRUVIRTIRROB-OIISXLGYSA-N	245.410	4.520	0	10	BJAE	
C[C@H](N[C@@H]1CCC12CCCCC2)c1cccs1	230164328	LMHGZIGLBMZUEY-GXTWGEPZSA-N	249.423	4.512	0	10	BJAE	
CC[C@@H](Nc1cc(C)ccc1Cl)c1ccco1	232229513	QENULXUDGBMFKS-GFCCVEGCSA-N	249.741	4.805	0	10	BJAE	
CCC(C)(C)CN[C@@H]1CCCC[C@H]1C(C)(C)C	232980264	MFBLHFUYIBQUJT-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C)[C@@H](NC)c1cc2ccccc2s1	233289727	YNZSZAQDMXOAFV-IAQYHMDHSA-N	247.407	4.598	0	10	BJAE	
CC(C)c1ccc2c(c1O)[C@@H](C)CC[C@@H]2C	238215001	FDEBBEJQTDJECQ-QWRGUYRKSA-N	218.340	4.516	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@@H](C[C@H]2C[C@H]3CC[C@H]2C3)C1	251102615	DRZKUDQRCGSBCC-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@H]2C3)CC1	251275593	DLNIIBRQVTUGAX-DRRXZNNHSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)C[C@H](C)NCC[C@H](C)c1ccccc1	251951905	UORABNOTPOGQJL-JYJNAYRXSA-N	247.426	4.595	0	10	BJAE	
CSc1ccc(N[C@@H]2CC[C@H](C)[C@H](C)C2)cc1	251994527	ZMVULWVHKZLZIA-OUCADQQQSA-N	249.423	4.645	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)C[C@H](C)C(C)(C)C)C1	253192356	NEPDYYSTPUPELV-BFHYXJOUSA-N	238.415	4.844	0	10	BJAE	
C[C@H]1CCC[C@@H](N[C@H]2CCC[C@@H](C)CC2)CC1	300562137	CHNGRINWKJXXEQ-SYMSYNOKSA-N	237.431	4.514	0	10	BJAE	
Cc1cccc(NCCCC(C)(C)C)c1C	300903399	WODPKRICZWJOCL-UHFFFAOYSA-N	219.372	4.542	0	10	BJAE	
CC[C@H]1CCCC[C@]1(O)CCC1CCCCC1	302237620	BHEOYAXYSZSROM-HOTGVXAUSA-N	238.415	4.678	0	10	BJAE	
CN[C@H](CCCC(C)(C)C)c1ccc(C)c(C)c1	302327424	RRZBHADYUZKZMX-MRXNPFEDSA-N	247.426	4.780	0	10	BJAE	
CSc1ccccc1N[C@H]1/C=C/CCCCC1	305996441	MVVFDVFGMWRQAM-NEXMIYJRSA-N	247.407	4.709	0	10	BJAE	
CSc1ccc2cc(Cl)sc2c1Cl	306840694	BBZFPWONXXZTNW-UHFFFAOYSA-N	249.187	4.930	0	10	BJAE	
Cc1cc(Cl)c2c(C(F)F)csc2c1	307288349	BQHXGARWXKYERE-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
C[C@H]1CCCC[C@]1(C)NCC1(C)CCCCC1	308710084	MQHHTWJBDNEASX-HOCLYGCPSA-N	237.431	4.515	0	10	BJAE	
Clc1ccccc1O[C@H]1C=CCCCCC1	309134968	CCIWOYLSRUFMKZ-LBPRGKRZSA-N	236.742	4.608	0	10	BJAE	
CCCNCC/C=C(\C)C1=CCCCCCC1	310047475	UBEYCMAELXROGH-FEWYVSLTSA-N	235.415	4.603	0	10	BJAE	
CCCCCC[C@@H](NCCC)C1(CCC)CC1	310414724	XNVMOECSGVCKOZ-OAHLLOKOSA-N	239.447	4.905	0	10	BJAE	
CCC[C@](O)(CC1CCC(C)(C)CC1)C1CC1	310433738	QTFSPAUCAVVUKB-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C1CCCC1)C(C)(C)C(C)(C)C	310467905	HMAPZJLFHVBDSE-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC(C)c1ccccc1[C@H](C)CCNC(C)(C)C	311003941	YIGIXJPHBDKTCW-CQSZACIVSA-N	247.426	4.692	0	10	BJAE	
CCCC1(CNC(C)C)CCC(C(C)C)CC1	318091770	PNXGBQWWBBOIRQ-UHFFFAOYSA-N	239.447	4.617	0	10	BJAE	
CCCNCC1(C(C)C)CCC(CCC)CC1	318336112	UCIWIQRUKWGCSE-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H](C)[C@@H](C)CC	318943443	WLZNYFSNLDMANG-SQWLQELKSA-N	237.431	4.537	0	10	BJAE	
CC[C@@H](C)[C@H](C)Oc1cc(Cl)ccc1Cl	319606337	MSZYNSCZXUEHSR-BDAKNGLRSA-N	247.165	4.807	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCCC12CCCC2	328029767	VCCNIOIVMPMHIE-KKUMJFAQSA-N	237.431	4.514	0	10	BJAE	
CC(C)/C(=C/[C@H](C)C1CCCCC1)CNC1CC1	381227208	HLDGINMLLSTDAM-LUYJPIOASA-N	249.442	4.537	0	10	BJAE	
CC(C)[C@H]1CCC[C@@](O)(CCCC(C)(C)C)C1	382665919	DAZGXFWSGOVMBJ-GOEBONIOSA-N	240.431	4.780	0	10	BJAE	
Cc1ccc(O)cc1-c1ccc(C2CCC2)cc1	383324409	SSPIGMNWNIWFPB-UHFFFAOYSA-N	238.330	4.635	0	10	BJAE	
CCN[C@@H](C[C@H](C)C1CCCCC1)C(C)(C)C	383941460	DZWQPFARDMUQIX-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCc1sc2cccc(F)c2c1C(F)F	396253559	SMAFGIWOZXVECS-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNc1cccc(F)c1C	401796771	ITYJKEPZXKEOOD-KGLIPLIRSA-N	249.373	4.762	0	10	BJAE	
Cc1ccc(C(=O)C[C@H]2CC=CCC2)c(Cl)c1	402124828	FPWHKIZFPAPIBL-LBPRGKRZSA-N	248.753	4.578	0	10	BJAE	
CCN[C@@H](CC1CCCCC1)C[C@H]1CC=CCC1	402196463	BXPQOZPAFXGXOP-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CCCCCC[C@H](N)CC(C)(C)c1ccccc1	686729691	OHEMBZKRRYTPPE-INIZCTEOSA-N	247.426	4.652	0	10	BJAE	
CC[C@H](C)c1ccc(NCC2(CC)CC2)cc1	687535739	ASQZWQRYODGVEO-ZDUSSCGKSA-N	231.383	4.802	0	10	BJAE	
CCC[C@@H](Nc1cc(CC)ccc1CC)C1CC1	689613875	PAKWHHFHQFOJRV-MRXNPFEDSA-N	245.410	4.802	0	10	BJAE	
CCCC1(CN[C@H]2CCCCC[C@H]2C)CCC1	691052865	HTJAUZDXWDAWNO-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC[C@@H](C)CCN[C@@H](C)c1c(C)cc(C)cc1C	696175351	NYCFOHOUGGHARY-WBMJQRKESA-N	247.426	4.699	0	10	BJAE	
CCc1cc(NC2C[C@H]3CC[C@H](C2)C3)ccc1C	697734920	PPZGHZLZLNHEBP-KBPBESRZSA-N	243.394	4.548	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C	699054958	YXJXQFNAGVWALJ-WOSRLPQWSA-N	238.415	4.844	0	10	BJAE	
CCC(C)(CC)[C@H](NC)c1ccc(C(C)C)cc1	701152848	YXJNBMSZAZAPBO-MRXNPFEDSA-N	247.426	4.897	0	10	BJAE	
CCCC(CCC)[C@H](NCC)C(C)(C)CC	701170120	FMJBWMXLZMCOIY-AWEZNQCLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@@H](NC[C@H](C)C1CCC1)c1ccccc1	703041145	VGTIWEKMFJRBAX-WMLDXEAASA-N	245.410	4.554	0	10	BJAE	
CC(C)C[C@H](C)C[C@]1(N)CCC(C)(C)C[C@@H]1C	704474879	UYUMQWDJWBRPQU-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CCC1CCC([C@](C)(N)CC2CCCC2)CC1	704912048	GYXARXZDPLKYQE-AVVWSFFYSA-N	237.431	4.501	0	10	BJAE	
CC(C)c1cccc(C(=O)[C@@H]2CCCC23CC3)c1	706226759	HFRYVLNWCSGQCB-HNNXBMFYSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@@H](N)[C@H](C)CC(C)(C)C)C1	708317378	XVGQYOVSPNTWIM-APIJFGDWSA-N	239.447	4.602	0	10	BJAE	
C[C@H](NC[C@H](C)CC(C)(C)C)C1CCCCC1	709133113	YUEZOXYLIYKUFL-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
Cc1cccc(C(=O)[C@H](C)CC(C)(C)C)c1C	709244514	AACHKROQTCOLAP-GFCCVEGCSA-N	232.367	4.558	0	10	BJAE	
CCC(C)(C)C[C@H](O)C1(CC(C)C)CCCC1	713200817	SJWWSDKLUAFJOP-AWEZNQCLSA-N	240.431	4.780	0	10	BJAE	
CCC1CCC([C@@H](O)CC(C)(C)C(C)C)CC1	713245985	JBEOMJUGPPTGSL-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
CCC(C)(C)CC1(CNC(C)(C)C)CCCC1	713252130	QZZCSTLYBXULPX-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
C/C=C/[C@@H](C)Cc1ccc(CC(C)C)s1	714533598	USSYQFITWYYXNC-BTDICHCPSA-N	222.397	4.701	0	10	BJAE	
CCc1ccccc1[C@@H](CCC(C)=C(C)C)NC	718623083	FYZYGIPFKUQNDI-QGZVFWFLSA-N	245.410	4.646	0	10	BJAE	
CC(C)=C(C)CCc1ccc(OC2CCC2)cc1	718680231	OLMUICIFSHPQQK-UHFFFAOYSA-N	244.378	4.907	0	10	BJAE	
CC1(C)CCCCC[C@H]1NCCCCC1CC1	719215247	SBCUWCXGNROESZ-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CC[C@H](C)C[C@H](C)N[C@H]1CCCCCC1(C)C	719220918	LUAPTBRFSKNGBO-KKUMJFAQSA-N	239.447	4.760	0	10	BJAE	
CCc1cccc(OC2CCCCC2)c1Cl	829086225	PJZHDLBTDIQLHB-UHFFFAOYSA-N	238.758	4.614	0	10	BJAE	
C=C/C=C\CCSCc1ccc(C)c(C)c1	1307319036	CEVKUWUXSWCEFR-WAYWQWQTSA-N	232.392	4.669	0	10	BJAE	
C/C(=C/Cl)CSCc1cccc(Cl)c1	1473021325	AZZWURRHWMFFER-TWGQIWQCSA-N	247.190	4.716	0	10	BJAE	
C=C/C=C\CCN(C(C)C)[C@@H](C)c1ccsc1	1654767442	RHUDCQGUKNHIKK-AFNCTOJWSA-N	249.423	4.652	0	10	BJAE	
CC(C)CCC[C@@](C)(O)C[C@H](C)C(C)(C)C	1900584686	XEYLHKBPXQAGAX-DZGCQCFKSA-N	228.420	4.636	0	10	BJAE	
CCCC[C@H](CC)CNc1cscc1CC	1902377342	SRHGJRXCXDKFIN-LBPRGKRZSA-N	239.428	4.939	0	10	BJAE	
Cc1cscc1NC[C@H]1CC[C@@H]1C(C)(C)C	1902740783	ZFJQTNVLELFXSS-NEPJUHHUSA-N	237.412	4.541	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@](C)(N)C1(C)CCCCC1	1910819633	CUDJLZQKTAAYLS-YCPHGPKFSA-N	237.431	4.501	0	10	BJAE	
C=CC=CCC[C@@H]1CCCC[C@H]1CNCC(C)C	1912110924	AUAFHNAKGHCASM-SJORKVTESA-N	249.442	4.561	0	10	BJAE	
Fc1ccc(N[C@H]2CCC3(CCCCC3)C2)cc1	1915870996	TXMAMKBVSRZUGG-HNNXBMFYSA-N	247.357	4.741	0	10	BJAE	
CCCC1CC(CN)(C[C@H](C)CC(C)(C)C)C1	1921279222	FSEPCJDRROODMW-VQCLRJIVSA-N	239.447	4.604	0	10	BJAE	
CC1(C)C[C@@H]1CCC1(N)C[C@H]2CCCCC[C@@H]2C1	1921540214	CBJCCVRLQWDYFI-KFWWJZLASA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCC[C@@H]([C@]2(CN)CCCC23CCC3)C1	1921656419	GPECGVYYUPEXKP-BFYDXBDKSA-N	249.442	4.502	0	10	BJAE	
CCC(CC)CCNC(CC(C)C)CC(C)C	1926164168	JPSPOEAZQMXBDB-UHFFFAOYSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1C=CCCCC1	1926201707	XBLYFFRUYUJUDY-CQSZACIVSA-N	222.372	4.518	0	10	BJAE	
CCC(CC)CCN[C@@]12CCCC[C@H]1CCC2	1926209870	OREYOQGKJUVACY-JKSUJKDBSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C)CCC(=O)CC1CCC=CCC1	1936555156	ZKZQNGAPNBLRFJ-UHFFFAOYSA-N	222.372	4.518	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@@]1(N)CC1(C)CCCCC1	1940410616	UCZAPEKMTMXNOL-XJKSGUPXSA-N	237.431	4.501	0	10	BJAE	
Cc1ccc2ccn(CCCC3(C)CC3)c2c1	1940881479	FZTJFEFKCMEGDN-UHFFFAOYSA-N	227.351	4.530	0	10	BJAE	
CC(C)CC[C@H](C)[C@H](N)C[C@H](C)CC(C)(C)C	1942653716	SXCDFMOUEQHCBP-SOUVJXGZSA-N	241.463	4.848	0	10	BJAE	
Cc1ccc2ccn([C@@H](C)CCC(C)C)c2c1	1942663055	RTWKGIXWTZHLRT-AWEZNQCLSA-N	229.367	4.947	0	10	BJAE	
CCC(C)(CC)[C@H](O)[C@@]12CCCC[C@H]1CCC2	1944138866	CUSAIBWZXIEWRO-OFQRWUPVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC[C@@H]1C)C(C)(C)CC	1944819929	KPGSTQNMHNPZFI-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
O=C(C[C@H]1C=CCCC1)C1CCCCCCC1	1947558495	JZZKTVDSRFBZQB-AWEZNQCLSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](C)[C@@H](CCC(F)(F)CC)NCC	1947993840	RCBHFPSZAYCPDV-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@H](N[C@@H](C)[C@H](C)CC(C)C)C1CCC1	1948326232	IGMRKFBFEIOBRQ-YCPHGPKFSA-N	239.447	4.616	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCC1CC(C)(CC)C1	1948404559	APBGHRXBCFHVEG-CIDNJEQPSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C[C@@H]1CCC[C@H](CC)C1)NCC	1948426878	YAEULELHHUYXTK-ARFHVFGLSA-N	239.447	4.761	0	10	BJAE	
CCC(C)(CC)[C@@]1(N)CCC2(CCCCC2)C1	1949086272	OTFXMLDXDVAZIO-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCCN[C@@H]1C[C@@H]([C@@H](C)CCC)CCC1(C)C	1949655020	ZVMGCZVITXXQDQ-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@H](N)CC1CC(C)(C)C1	1949732652	FHPUTHRICRJEBQ-UKRRQHHQSA-N	239.447	4.747	0	10	BJAE	
CCCC[C@H](CC)CC[C@@H](O)CC1CCCC1	1949868554	HGMIAQJXKDQXQU-GOEBONIOSA-N	240.431	4.924	0	10	BJAE	
CC[C@@](O)(CC1CC1)C[C@H](C)C1CCCCC1	1950094251	GYUZWBVKGHSMQR-BBRMVZONSA-N	238.415	4.534	0	10	BJAE	
CC(C)CCCCCC1(N)C[C@@H]2CCC[C@H]2C1	1950312237	ZFNVJZLEHFASPX-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)NCc1csc(C2=CCCCCC2)c1	1951233941	ZSHLKHSDCDEHKU-UHFFFAOYSA-N	249.423	4.594	0	10	BJAE	
CC(C)CCN(Cc1ccccc1)[C@@H](C)C(C)C	1953323837	YDYBRUQICGQICG-INIZCTEOSA-N	247.426	4.579	0	10	BJAE	
CCC1(CN[C@H]2C[C@@H]3CCCC[C@@H]3C2)CCCC1	1965923083	LPJBQWIEMNJZSI-MUJYYYPQSA-N	249.442	4.515	0	10	BJAE	
CCCCN(CC1CC2(CC2)C1)C1CCCCC1	1966261203	FXNAOAIZVAQWFT-UHFFFAOYSA-N	249.442	4.611	0	10	BJAE	
CCCc1ccc(N[C@@H]2CC[C@@H]2CC(C)C)cc1	1968425636	GAQWLFLADSCQON-NVXWUHKLSA-N	245.410	4.876	0	10	BJAE	
Cc1c(F)cccc1NC1C[C@H]2CCCC[C@@H]2C1	1968648937	RPNCPSKODZEHAA-CHWSQXEVSA-N	247.357	4.515	0	10	BJAE	
CCCC[C@H](CC)CN1CCCC[C@H]1CCC	1970607220	TZFUAQBPSMOYLL-JKSUJKDBSA-N	239.447	4.857	0	10	BJAE	
CCC[C@@H](NCCC12CCC(CC1)C2)C1CCC1	1973949745	YJYMYBXCYDTEDQ-ARWYELJZSA-N	249.442	4.515	0	10	BJAE	
Cc1cc(C)c(C(=O)[C@H](C)CCC(C)C)s1	1978449761	DNZMLQWZHKRVIV-SNVBAGLBSA-N	238.396	4.620	0	10	BJAE	
C1=C[C@H](CC2CC(C3CCC3)C2)CCCC1	1983822865	YYMCHFDZCRAJQN-HLIUYOAVSA-N	218.384	4.949	0	10	BJAE	
CC[C@@](O)(CCC(C)=C(C)C)CCC(C)C	1986939998	WMGWQLRKCOSOHP-HNNXBMFYSA-N	226.404	4.700	0	10	BJAE	
CCCCC[C@H](CC)NC[C@H](C)CC(C)C	1990046842	ZPJVRVBUSCPGAZ-CABCVRRESA-N	227.436	4.617	0	10	BJAE	
CCC1(CC(=O)C[C@@H](C)CC(C)(C)C)CC1	1990595579	QJNVFTOBFGHCPQ-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CCC(CC)[C@H](C)N[C@@H](C)C1CCC(C)CC1	1996555631	SLJYPHGYRCEGKT-WJEHIRDRSA-N	239.447	4.616	0	10	BJAE	
C[C@H](CC(C)(C)C)C[C@](C)(O)C1CC(C)(C)C1	1998654618	LQTVODUYFXLICT-WBMJQRKESA-N	240.431	4.636	0	10	BJAE	
CC[C@H](CC(C)C)C(=O)[C@@H]1CCCC(C)(C)C1	2000108156	XAILGMLKVGYJJG-ZIAGYGMSSA-N	238.415	4.844	0	10	BJAE	
CCC[C@@](C)(CC[C@@H]1CC1(C)C)CNC(C)C	2000522705	ICPLJBHNINLTQJ-ZBFHGGJFSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](O)C[C@@H]1CC12CCCCC2	2001258428	FMYDJHBUJCEZQF-CABCVRRESA-N	238.415	4.534	0	10	BJAE	
CCCCCC[C@H](C)NC[C@@H]1CCC12CCC2	2001863647	TYEOOALPJLDCHY-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H]([C@H]1CC[C@H](C)CC1)[C@H](C)CCC	2003067485	UDHIQZKNTCWHAD-FPCVCCKLSA-N	239.447	4.617	0	10	BJAE	
CCCCCC1CCC(C(=O)[C@@H]2C[C@@H]2C)CC1	2003068623	LRSBWLMQOISDIR-VXGQWTEUSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CC[C@@H]1C=CCCC1)c1cccs1	2003683828	AXFUDKQYBIFVPU-ZIAGYGMSSA-N	249.423	4.535	0	10	BJAE	
Cc1sccc1C(=O)[C@H]1CCCCC12CCC2	2005562291	ACWBAOOTIPSALK-CYBMUJFWSA-N	248.391	4.600	0	10	BJAE	
CC[C@H]1CC(=O)C[C@H](CCC2=CCCCC2)C1	2006662925	FPLZXKRWVSCPGR-UKRRQHHQSA-N	234.383	4.662	0	10	BJAE	
CC=CCCCNc1ccccc1SC(C)C	2009595774	ZVUPJFDXGNPKCT-UHFFFAOYSA-N	249.423	4.955	0	10	BJAE	
C/C=C/CCC[C@H](N)c1cc2ccccc2s1	2009619110	IUMJUXBOWGEHCJ-IBUXWKBASA-N	245.391	4.648	0	10	BJAE	
CCCCCC1CC(N[C@H](C)CCC(C)C)C1	2009717894	POBBGXMHDKWXMK-QQFBHYJXSA-N	239.447	4.760	0	10	BJAE	
CCCCCC1CC([C@@H](CCC)NCCC)C1	2009803467	AQCROMMCBKRNFC-UYSNPLJNSA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](C(C)C)[C@H](N)C1=CC[C@H](CC)CC1	2010747794	MDJTZWTYOYVWFZ-NUEKZKHPSA-N	237.431	4.523	0	10	BJAE	
CCCCC[C@H](C[C@@]12CCC[C@H]1C2)NCCC	2011023946	HNFCWJZOUUIIHL-XHSDSOJGSA-N	237.431	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC1CC(=C2CC2)C1	2011069726	YZUWFCCUHRHNFZ-LLVKDONJSA-N	234.383	4.518	0	10	BJAE	
CCN[C@@H]1C[C@H](CC(CC)CC)CC(C)(C)C1	2012053254	BYKDLRLTSDDUQX-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CC(=O)CC(C)(C)C2)C1	2012083774	JCVUYKMNTJNOMD-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)[C@](CC)(CNCC(C)C)C(C)C	2012413694	UAFVWESAZZPFFR-MRXNPFEDSA-N	241.463	4.721	0	10	BJAE	
CCCNC[C@](CC)(C(C)C)[C@H](C)CC(C)C	2012421141	IXJXVJNEBGFMCL-HZPDHXFCSA-N	241.463	4.721	0	10	BJAE	
CCCCCC[C@H](O)CC12CCC(CC1)CC2	2012816831	ATPYTMCFRUAVAS-PCKAHOCUSA-N	238.415	4.678	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@H]1CCC[C@@H](C)CC1	2013264623	OJQYHGIBRBBGPJ-OAGGEKHMSA-N	239.447	4.760	0	10	BJAE	
CC(C)C(C[C@]1(O)CCC[C@@H](C)CC1)C(C)C	2015284905	ROOGDINWPYQZHE-ZBFHGGJFSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H](C(C)C)[C@@H](N)CCC(C(C)C)C(C)C	2015347359	PMRSIZDLTUTELA-HOCLYGCPSA-N	241.463	4.704	0	10	BJAE	
CCCC1(C[C@]2(CC)CCCCCN2)CCC1	2015641460	FMNVKKLKMBVJAN-INIZCTEOSA-N	237.431	4.659	0	10	BJAE	
CCC[C@H]1CCC[C@@H](NCC(F)=C(C)C)CC1	2017462482	AULDFEAJXNSDOC-UONOGXRCSA-N	241.394	4.588	0	10	BJAE	
CCC(C)(CC)[C@H](O)C[C@H]1CC[C@H](CC)CC1	2017774578	QGQNBGIGOOMVSZ-RBSFLKMASA-N	240.431	4.780	0	10	BJAE	
CCCCC[C@H](CC)N[C@H](C)CC1CCCC1	2018127791	NWCALHJRUXDFLG-ZBFHGGJFSA-N	239.447	4.904	0	10	BJAE	
CCCCC[C@@H](CC)N[C@H](C)C1(C)CCCC1	2018136116	HPYOKUSIJOWLHB-HUUCEWRRSA-N	239.447	4.904	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@@]12CCCC[C@H]1C2	2018571338	SKGXLIQJPVWKEG-BPUTZDHNSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@]2(N)CCCCC[C@@H]2CC)CC1	2018974922	NMRDWBRRIKVAJT-GOEBONIOSA-N	237.431	4.645	0	10	BJAE	
C[C@@H](CC[C@@H](O)CC1CCCCC1)C1CCC1	2019852370	KSTKXQVOTJLLNP-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@@H](N)CC1CCCCCC1	2022489602	LYAQHTFHERXVNP-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCCN[C@@H]1CCC[C@H](C)[C@H]1CCCC(C)C	2024511275	SQWZCKAJBAHRKS-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@]2(O)CC(C)(C)C2(C)C)CCCCC1	2025018253	FTVQSZBTKQMPEC-MRXNPFEDSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)c1ccccc1C	2026083097	XRYADPOVDOMKRS-CYBMUJFWSA-N	232.367	4.784	0	10	BJAE	
CCCC[C@H](C)CC[C@H](NC)C1CC(C)(C)C1	2026170510	QCTDMHQJQPPQRJ-ZFWWWQNUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(O)C[C@H]2CCC[C@H]1C2	2026290520	QBKGKNKBGRPWJM-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
c1sc([C@H]2C[C@@H]3CC[C@@H]3C2)nc1C1CCCC1	2026603534	PJIQKJZHAVOCMN-CLLJXQQHSA-N	247.407	4.704	0	10	BJAE	
CC1(CC[C@@H](N)c2ccccc2C2CCC2)CC1	2027737713	SZHIXMDBJIRKMY-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CCN[C@@H](CC1(C)CCCCC1)C1(C2CC2)CC1	2028105608	RAHNETPFOKGEKM-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](O)c1cccc(C2CC2)c1	2028554324	IWYKAIWBOAKJOO-IRXDYDNUSA-N	246.394	4.670	0	10	BJAE	
CC[C@@](O)(c1ccc(C2CCCC2)cc1)C(C)C	2031747488	WCPMCPRWQGPPIN-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CCNC[C@]1(CC2(C)CCCCC2)CC12CCC2	2032138556	LBWNSZAEOISMEH-KRWDZBQOSA-N	249.442	4.517	0	10	BJAE	
CC(C)[C@@H](NC1CCC2(CCC2)CC1)C1CCC1	2032258185	URIAWMFMZFQFMW-MRXNPFEDSA-N	249.442	4.514	0	10	BJAE	
CC[C@H](C)c1ccc([C@@H](O)C[C@H]2CC2(C)C)cc1	2032366814	WDCADORMRZDMQG-RCBQFDQVSA-N	246.394	4.670	0	10	BJAE	
CC(C)C[C@H]1CNCCC1=CCCCCC1CC1	2032490570	MUKJGTFHZOUFMA-KRWDZBQOSA-N	249.442	4.539	0	10	BJAE	
C[C@@H](CN[C@@H]1CCCC2(CCCC2)C1)C1CCC1	2034361757	DKGGKCRGXASOII-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CC(CN[C@H]2CCCC3(CCCC3)C2)C1	2034363153	KXTKKWVQACJCRT-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC1CCC1)c1c(C)coc1C	2035534367	QZKKFWGMXILSHM-OAHLLOKOSA-N	249.398	4.517	0	10	BJAE	
CC1(N[C@H]2CCC3(CCCC3)C2)CCCCCC1	2036770243	CFJBEKCTPSCKDV-HNNXBMFYSA-N	249.442	4.802	0	10	BJAE	
CC[C@](N)([C@H]1CCC2(CCCC2)C1)[C@@H]1CC1(C)C	2037587952	UGHZOVYAHYQRJC-VBQJREDUSA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)CN(C1CC1)[C@@H]1CCC2(CCCC2)C1	2037684242	YLQAMJPKIBUSOH-OAHLLOKOSA-N	249.442	4.610	0	10	BJAE	
CC[C@@H]1CCCCC[C@@]1(N)CC1CC2(CCC2)C1	2038078864	OZMUPLSXAGFMCV-NVXWUHKLSA-N	249.442	4.645	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1NC[C@H]1CCC2(CC2)C1	2038584122	TWUXTOQAWYZEGS-ARFHVFGLSA-N	249.442	4.515	0	10	BJAE	
CC1CCC2(CC1)CC(N[C@H](C)CC1CCC1)C2	2038935255	YSPHWCNPZJXGNM-FBZFNHGYSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@@H](C(=O)[C@H]2CC23CCCCC3)C1	2039011252	GDFMBXVEROAGEB-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
C[C@H]1CCC[C@@](CNC2CC2)(C2CCCC2)CC1	2039377430	VFRSMGVBCUXNLB-WMLDXEAASA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCC[C@@](CN)(CC2CC3(CC3)C2)CC1	2039386349	SLBJMQQDJCXLTH-KRWDZBQOSA-N	249.442	4.502	0	10	BJAE	
CCc1cccc2cc(C3(C)CCCCC3)[nH]c12	2039848633	YQNOJUIHTSTAEV-UHFFFAOYSA-N	241.378	4.952	0	10	BJAE	
CC1(C)CC(N[C@@H]2C=CCCCCC2)CC1(C)C	2042337206	QJLDYSNWGBATLI-CQSZACIVSA-N	249.442	4.680	0	10	BJAE	
CCCN[C@H]([C@H]1C=CCCC1)[C@@H]1CCC(C)(C)C1	2043189064	YCGZFBNQPUDTOH-ARFHVFGLSA-N	249.442	4.537	0	10	BJAE	
CC1CC([C@@H](C)Nc2ccc(C(C)(C)C)cc2)C1	2043545445	XAUSBLBZFLBDCV-ROKHWSDSSA-N	245.410	4.831	0	10	BJAE	
CC1(C)CC[C@H]([C@@H](N)C[C@H]2CCC=CCCC2)C1	2045331132	CCALPKKQPFNMDJ-JYJNAYRXSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC[C@H](C(=O)[C@@H]2CCCC23CCC3)C1	2045449343	AVCTZSPBSYSIJX-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)C[C@@H]1CC12CCCCC2	2047059909	UAXIAGDFLNJNJO-MGPQQGTHSA-N	248.410	4.598	0	10	BJAE	
O[C@@H](CC1=CCCCC1)C[C@@H]1CC12CCCCC2	2047069295	UWURVMUFGAUUAX-CVEARBPZSA-N	248.410	4.598	0	10	BJAE	
C[C@H](CC1CCC2(CC1)CC2)c1cccc(N)c1	2049847892	FMFMYQOOVAJTDY-CYBMUJFWSA-N	243.394	4.733	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@]1(N)CCCC2(CCCCC2)C1	2055301504	OBZNLSCAKUJWJH-HLLBOEOZSA-N	249.442	4.645	0	10	BJAE	
FCc1ccc(NC2CC(C3CCCC3)C2)cc1	2055668090	STAWCROEYXWSFJ-UHFFFAOYSA-N	247.357	4.537	0	10	BJAE	
CC1(CC2CC3(CCC(N)CC3)C2)CCCCC1	2056620199	BZKNBZJUAWOEEF-UHFFFAOYSA-N	249.442	4.645	0	10	BJAE	
CCCNC[C@]1(CC2CC(CC)C2)CC=CCC1	2056649448	XNXBENORMNDCQZ-OFLPRAFFSA-N	249.442	4.539	0	10	BJAE	
O[C@H](C=C1CCCCC1)[C@@H]1CCCCC12CCC2	2056862093	FLXKHTDWXIBIAE-JKSUJKDBSA-N	248.410	4.598	0	10	BJAE	
CC=CCCC[C@@H](O)c1cccc(C(C)(C)C)c1	2059220520	BGGFJXYPSMVLKL-MRXNPFEDSA-N	246.394	4.764	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@]1(C)C=CCCC1	2059249788	KQKBKHYODAQMNI-IAGOWNOFSA-N	249.442	4.847	0	10	BJAE	
CC1(C)CCC([C@@H](N)CC[C@@]23CCC[C@@H]2C3)CC1	2061600556	BDHAZDNXAJYALT-HLLBOEOZSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@](N)(CC[C@]23CCC[C@@H]2C3)C1	2061618365	USUFTPJOOAAEBC-JHNDHUHGSA-N	249.442	4.501	0	10	BJAE	
CC(C)c1ccccc1C(=O)CCC[C@@H]1C[C@@H]1C	2062623549	CWXCFYVPZXVMRG-UONOGXRCSA-N	244.378	4.819	0	10	BJAE	
Cc1ccc(NC[C@@H]2C[C@@H]3CCC[C@@H]3C2)c(C)c1	2063470365	AXESFLACQCDRPQ-MUJYYYPQSA-N	243.394	4.542	0	10	BJAE	
O=C(C[C@H]1C=CCCCC1)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2063521526	YBTXTYKQPIXHAL-CAOSSQGBSA-N	246.394	4.518	0	10	BJAE	
CN[C@@H](C[C@H](C)C(C)C)c1c(C)cc(C)cc1C	2068824103	XJEIFJIFHHXGNA-BBRMVZONSA-N	247.426	4.555	0	10	BJAE	
CCC1(CC[C@H](NC)c2cccc(C)c2)CCC1	2069285344	QUPZOPJIAUMKLJ-INIZCTEOSA-N	245.410	4.616	0	10	BJAE	
CC(C)(C)C1(N[C@H]2CCC3(CCCC3)C2)CCC1	2071881328	MQOPWRPMSFQJRE-AWEZNQCLSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc(N(C)CC2(C(C)C)CCC2)c(C)c1	2071916978	FYPOICXAMSQAAX-UHFFFAOYSA-N	245.410	4.566	0	10	BJAE	
CC(C)(C)C1(C[C@H](N)C[C@]23CCC[C@@H]2C3)CCC1	2071949303	IYVOYBPGNJKNCK-IIAWOOMASA-N	249.442	4.501	0	10	BJAE	
CC=CCCCN1CCC[C@@H]1C1CCCCCC1	2071968102	BKSFUMVFBZDOSN-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
CCCC1(C[C@H]2CCN[C@@H](C3CCC3)C2)CCC1	2073783437	VWUJXSLBELTEBF-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CC1(CCC[C@H]2CCNC3(CCCCC3)C2)CC1	2074139570	SWGVOTYRYDXNDA-HNNXBMFYSA-N	249.442	4.659	0	10	BJAE	
CC1CCC2(CC1)CCN2[C@H]1C=CCCCCC1	2074801529	GSAIZDBLDCDRQA-CGZBRXJRSA-N	247.426	4.530	0	10	BJAE	
CC[C@H]1CCCCC[C@]1(N)C[C@H]1C[C@@H]2CC[C@@H]2C1	2075568532	IZMSCDVMLHZKCY-KSWRQPAISA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](N)[C@@]12CCCC[C@H]1CCC2	2079627661	LSZNJYBETCIFFB-UHDSXZAQSA-N	249.442	4.501	0	10	BJAE	
CCC1(NC[C@@H]2C[C@@H]2C2CCCCC2)CCCC1	2079640681	NHFMSSPGTGRZAQ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1OC[C@H]1C[C@@H]1C(C)(C)C	2079811829	GLFOXINUMKYWLL-HIFRSBDPSA-N	246.394	4.871	0	10	BJAE	
C[C@](N)(C[C@H]1C[C@H]1C1CCCCC1)C1CCCC1	2079832465	NJNNMJOBNWOLKV-PVAVHDDUSA-N	249.442	4.501	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C(=O)C[C@H]1C[C@@H]1C1CCCCC1	2079866161	QNFSKLJUFVJBFS-FPCVCCKLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@H]1C[C@@H]1C1CCC1	2081785277	KLUJAQOOKXJDPW-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H]1C[C@H](C)C[C@@H]1C[C@@H]1C=CCCCC1	2082215504	QIOIUPHLCCMJBN-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@H]2CCC3(CCC3)NC2)C1	2082975097	FNIGSORVAAJLOH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC1C2(CCC2)C12CCC2	2083563658	FMIWNTYLTAPGBZ-UONOGXRCSA-N	249.442	4.501	0	10	BJAE	
CC1CCC(C[C@@H]2CCCNC23CCCC3)CC1	2083814135	LUOZTTOQZPBQJY-GPANFISMSA-N	249.442	4.515	0	10	BJAE	
CCC[C@@H](C)[C@H](N)CCCCCCC1CC1	2210525624	SMCGQTITVZSTSL-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCCC[C@](N)(CC)CCCCC1CC1	2211113729	LQJLONZGPBHIFC-OAHLLOKOSA-N	225.420	4.645	0	10	BJAE	
CCCC[C@](CC)(CCCCC1CC1)C(=O)O	2214544375	GSDAXCHXFSXJCX-OAHLLOKOSA-N	240.387	4.628	0	10	BJAE	
CCCN[C@H](CCCC1CC1)C(C)(C)CCC	2216277237	GDLWMKQZXJQCHD-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
C[C@@H](C1CC1)[C@@H](N)CCCCCCCC1CC1	2216877169	JCNAJLXDJWBRRZ-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
C(CCCC1CC1)CCC[C@@H]1CCCNCC1	2216890849	GVPOGWNXJHVBCO-OAHLLOKOSA-N	237.431	4.517	0	10	BJAE	
CC(C)=C1CC[C@@H](C)C[C@]1(N)CCCCC1CC1	2220042779	WYXCPOFOSPAHSS-RHSMWYFYSA-N	249.442	4.811	0	10	BJAE	
CC1(C(=O)C[C@H]2C[C@@H]2C(C)(C)C)CC2(CCC2)C1	2221002121	QHDCTGOWCGVBPP-OLZOCXBDSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1(C)CC2(CCC2)C1)C1(C)CC1	2221014037	PUKRXEDZPAPODF-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@@H]([C@H](N)CC2(C)CC(C)(C)C2)C1	2221026158	SIDJGGWWFLKHBW-NWANDNLSSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(CC2(C)CC3(CCC3)C2)C1	2221041731	UEEVLOZEEJBBHU-ZIAGYGMSSA-N	249.442	4.501	0	10	BJAE	
CC(=C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)CCCCN	2222947617	BIIRQSXVKAAMGM-YESZJQIVSA-N	249.442	4.668	0	10	BJAE	
O=C(CCC1CC1)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2222954903	OFSMZNZINQHHNX-OWCLPIDISA-N	248.410	4.742	0	10	BJAE	
C(CCCN[C@@H]1CCC2(CC2)C1)CCCC1CC1	2223158263	HUHABUMPBDCZGQ-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
CC1(CN2CCC[C@@]2(C)C2CCC2)CCCCC1	2223857886	SSHSWBMUUWACPD-KRWDZBQOSA-N	249.442	4.611	0	10	BJAE	
CCCC[C@H](CC)[C@@H](N)c1cccc2ccoc12	2224181580	QKMXHDVRZJHUGS-SWLSCSKDSA-N	245.366	4.649	0	10	BJAE	
CC(=Cc1ccc(C2CC2)cc1)c1cccc(N)c1	2231692211	KQHWUGJZRLYMRV-UHFFFAOYSA-N	249.357	4.707	0	10	BJAE	
Cc1c(Cl)cc(Cl)c2nccc(Cl)c12	2242385316	HXWJWILKEAMTCM-UHFFFAOYSA-N	246.524	4.503	0	10	BJAE	
CC(C)NC[C@H](C)CCC[C@H]1CCC[C@@H](C)C1	2246661109	WATOUOPHLSLSEX-BZUAXINKSA-N	239.447	4.617	0	10	BJAE	
CCCNCCC=CCC[C@@H]1CCC[C@@H](C)C1	2246688394	UJRULRUJPURULF-HZPDHXFCSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H](CC1CC2(CCCC2)C1)NCC	2246814085	LPRONKIWCARZPV-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@@H](CC)C(=O)C1CC2(CC(C)C2)C1	2247075022	XADUIPIWBSHGSB-YRUXVQORSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)(CC)C(=O)CCCC[C@@H]1C[C@H]1C	2247168860	BAHMKXYNAFFTPX-ZIAGYGMSSA-N	238.415	4.988	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC[C@@H]1CCCC12CC2	2247624732	ZSJUPTWALOKBLO-SOUVJXGZSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1C[C@H]1CCCCC[C@@H](N)CCC1CCC1	2248807797	LCEYGTXCSUSTFS-FVQBIDKESA-N	237.431	4.501	0	10	BJAE	
CC[C@](N)(CCCCC[C@@H]1C[C@@H]1C)C(C)(C)C	2248870206	LNOCVTNIDXWTFT-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CCC[C@H](CC)CNCC1CCC(CC)CC1	2250390198	QLEJBGWIPJYACE-PCKAHOCUSA-N	239.447	4.619	0	10	BJAE	
CC(C)CCC[C@H](C)CCC1(CO)CC=CC1	2250488865	RWKLLUKIMWJXGQ-HNNXBMFYSA-N	238.415	4.558	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@]1(N)CC[C@@H](C)C1	2250513764	JRGQKJYQSTWRST-XHSDSOJGSA-N	239.447	4.747	0	10	BJAE	
CCNCC1(CC[C@H]2CCC[C@@H](C)C2)CC=CC1	2253936558	FHLLRFBCIUOFKU-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1CCC[C@@H](CCNC2(C)CC3(CCC3)C2)C1	2253952057	QCWMGMPYCVBOCS-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CCC[C@@H](CC2CC3(CCCC3)C2)N1	2254043609	VWVHNEQHRVBGSJ-JKSUJKDBSA-N	249.442	4.514	0	10	BJAE	
CN[C@H](CCCC[C@@H]1C[C@@H]1C)[C@]1(C)C=CCCC1	2254536657	SADKUCYVOFBYFZ-YLFCFFPRSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)cc([C@@H](N)CCCC[C@H]2C[C@@H]2C)c1	2254606462	FXALIPXGHKOBMA-ZOBUZTSGSA-N	245.410	4.520	0	10	BJAE	
CC1(C)CCC([C@H](N)C[C@@H]2CCC23CCC3)CC1	2254843421	HMLHTBYDHZAHFF-LSDHHAIUSA-N	249.442	4.501	0	10	BJAE	
CCc1ccc(CC)c(NC[C@@H]2CCC2(C)C)c1	2254954472	LXMBGQROQCGGKG-HNNXBMFYSA-N	245.410	4.660	0	10	BJAE	
CC[C@@H](C(=O)C[C@@H]1CCC1(C)C)c1ccccc1	2254959999	LQXGNZIKQQOVOD-LSDHHAIUSA-N	244.378	4.576	0	10	BJAE	
CCC[C@@H]1CCC[C@@H]1NCC[C@H]1CCCC12CC2	2255240461	YNOYOADBYGWECL-OAGGEKHMSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc([C@H](N)C=C2CCCCC2)cc1	2256292118	MLEUVVJFKBMZTB-QGZVFWFLSA-N	243.394	4.529	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@]1(N)CCCCC12CC2	2257249945	XRKHXRYGTAAGQT-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC(C)(C)c1cccc(N[C@@H]2C[C@@H]3CC[C@@H]3C2)c1	2257961286	LCSYRBZPWCPQLN-VIKVFOODSA-N	243.394	4.585	0	10	BJAE	
Cc1cc(N[C@@H]2CC[C@H](C)[C@H](C)C2)cc(C)c1C	2258234743	DKCSANMSCTVRDC-HWWQOWPSSA-N	245.410	4.848	0	10	BJAE	
CCCN[C@H](CCC1(C)CC1)[C@]12CCC[C@@H]1CC2	2260488181	HPOIXXFSJMNBQK-INMHGKMJSA-N	249.442	4.515	0	10	BJAE	
CC1(C[C@H](N)[C@]23CCCC[C@@H]2CC3)CCCCC1	2260509189	UFSIHSFLSVFVIC-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CC1(C)CCC([C@@H](N)C[C@]23CCC[C@H]2CC3)CC1	2260667164	BXVJXEUEAAAIBH-YQQAZPJKSA-N	249.442	4.501	0	10	BJAE	
N[C@@H](C[C@]12CCCC[C@H]1CC2)C1CCCCCC1	2260679412	QYKGHMQGKWXEDT-YESZJQIVSA-N	249.442	4.645	0	10	BJAE	
CCCCCCC(=O)c1cccc(CC2CC2)c1	2260825600	CJPGRLIQAQBJDY-UHFFFAOYSA-N	244.378	4.792	0	10	BJAE	
C[C@@H]1C[C@@H]1CCNc1cc(C2CC2)ccc1Cl	2300674014	PCHOQORUUSZBFS-PWSUYJOCSA-N	249.785	4.675	0	10	BJAE	
CCC(CC)CC[C@H](O)[C@H]1C(C)=CCC[C@@H]1C	2300674880	ZFYMDJSLCZUTTI-BPUTZDHNSA-N	238.415	4.556	0	10	BJAE	
CCCN(CC=C(C)CCCC(C)C)C1CC1	2300883447	GBCUHVZOTQOOIG-UHFFFAOYSA-N	237.431	4.633	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)[C@@H]1CCC(C)(C)CCC1=O	2301836079	KDFJKCKTSMNILI-MJBXVCDLSA-N	238.415	4.700	0	10	BJAE	
CC(C)CCCCCCN[C@H]1CC(C)(C)[C@@H]1C	2302083563	PZMSKHMYLOPNIY-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CC(C)CCCCC[C@]1(O)CCCC[C@H]2C[C@H]21	2302985385	BBLZMWUWMCLLAB-XHSDSOJGSA-N	238.415	4.534	0	10	BJAE	
CCC(CC)CCC(=O)C[C@@H]1CC[C@H]1C1CC1	2303010440	CDEUGTOLDZLIOL-HOCLYGCPSA-N	236.399	4.598	0	10	BJAE	
CC(C)CCCC(=O)C[C@H]1CC[C@H]1C(C)(C)C	2303454247	LERYQQJGWHFRRF-UKRRQHHQSA-N	238.415	4.844	0	10	BJAE	
CCCC(C)(C)C(=O)C[C@H]1CCC(C)=C(C)C1	2303602130	ULEKBEZDIGIDSO-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
CCC[C@H](CC)C[C@H](O)[C@H]1CCC[C@@H](CC)C1	2307831415	KFPJXVXXRVGAIJ-FZKCQIBNSA-N	240.431	4.780	0	10	BJAE	
CCC[C@H](CC)CC(=O)C1CC2(CCCC2)C1	2307899740	CWAQLPAHJUVKRJ-ZDUSSCGKSA-N	236.399	4.742	0	10	BJAE	
O=C(CC1CCC=CCC1)C[C@H]1CCC[C@@H]2C[C@H]12	2309962573	NPDFXRRHXJEFSG-BFYDXBDKSA-N	246.394	4.518	0	10	BJAE	
C[C@H]1CC[C@H](C(=O)C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1	2310459154	BTSLOIXJBGEEQG-JHJNDJDLSA-N	248.410	4.598	0	10	BJAE	
CCN[C@@H](CC=C(C)C)[C@@H]1C[C@H]1C1CCCCC1	2311512371	XCUDVJVZJVDHBN-BBWFWOEESA-N	249.442	4.537	0	10	BJAE	
C[C@@H]1CCCC[C@H]1[C@@H](N)C[C@@]12CCCC[C@@H]1CC2	2313323604	FOPFODZVSLUXSG-MTSZKFMLSA-N	249.442	4.501	0	10	BJAE	
NCC[C@H]1CCC[C@H](C[C@@]23CCCC[C@@H]2CC3)C1	2313342554	OIUJSNJXYCABGF-TWMKSMIVSA-N	249.442	4.502	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC1CCC1)[C@@H]1CC=CCC1	2313584591	QZPDRZOFMZBIKD-USXIJHARSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@H]1CNc1cc(C(C)C)ccc1C	2315878233	RDLUFIPVFSSPNV-CVEARBPZSA-N	245.410	4.967	0	10	BJAE	
CCC(CC)CC[C@@H](O)CCc1cccc(C)c1	2316245001	DVELNDPHGDJUHL-QGZVFWFLSA-N	248.410	4.505	0	10	BJAE	
CC(=CC=C(C)[C@H]1CC[C@@H](N)C1)CCCC(C)C	2316558195	WJXWVWNDTIVBEP-DLBZAZTESA-N	249.442	4.833	0	10	BJAE	
CC(C)[C@@]12CC[C@](N)(CC3CCCCCC3)[C@@H]1C2	2316874162	KATOENQRXJMYMO-IKGGRYGDSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1CCC(=O)[C@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)C1	2317008508	SPPKWPGCQARKCM-CWVYHPPDSA-N	248.410	4.598	0	10	BJAE	
CC(C)[C@@H](C)[C@H](C)Cc1ccc2c(c1)CCCN2	2317835916	SCETZKZYQZXDNJ-ZIAGYGMSSA-N	245.410	4.515	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C[C@@H]1CC[C@H](C)C1	2317907404	PTAZOBXITNGSMK-USXIJHARSA-N	249.442	4.681	0	10	BJAE	
C[C@@H]1CC[C@@H](CN)[C@H](CCCC2=CCCCC2)C1	2318592914	NTMFDBRATFPLTH-OIISXLGYSA-N	249.442	4.668	0	10	BJAE	
CC(C)c1cccc([C@H](N)CCC[C@H]2C[C@@H]2C)c1	2318939008	PCCIDMHYJVNMEQ-JLJPHGGASA-N	245.410	4.636	0	10	BJAE	
C[C@]1(CC[C@@H]2C[C@@H]2C2CCCCC2)CCCCN1	2318942306	UYTPVZLNRSLCOF-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1cccc([C@@H](O)C2=CCCCCC2)c1	2320580101	DWFJJTYHYYZPSS-KRWDZBQOSA-N	244.378	4.734	0	10	BJAE	
CC1(C)CC[C@@H](CCN[C@H]2CCCC3(CC3)C2)C1	2321605459	LZBUCAXDLWZCER-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(C(C)C)c([C@H](O)C2(C(C)C)CC2)c1	2327704843	YVDVNYCSPALVMX-INIZCTEOSA-N	246.394	4.588	0	10	BJAE	
CCC[C@H](CC)C[C@H](N)c1ccc([C@H]2C[C@H]2C)o1	2328274407	QDUDKSGSKDTVCW-RFGFWPKPSA-N	249.398	4.619	0	10	BJAE	
Clc1ccc2c(c1)C[C@H](C1CCCCC1)CN2	11987829	SWAOEZPQZQUGHY-ZDUSSCGKSA-N	249.785	4.505	0	10	BJAE	
Cc1cc([C@@H](C)Nc2ccc(Cl)cc2)c(C)o1	20438181	ICRQTYHXQKWSLF-SNVBAGLBSA-N	249.741	4.723	0	10	BJAE	
Cc1cc(C)cc(N[C@H]2C[C@H](C)CC(C)(C)C2)c1	21813464	FQCMMWOKZNONII-HOCLYGCPSA-N	245.410	4.930	0	10	BJAE	
CCCCCCc1ccc(CCC)s1	32179174	LXJHSLNORSDGSA-UHFFFAOYSA-N	210.386	4.823	0	10	BJAE	
CCCc1ccccc1N[C@@H]1CCC[C@H](C)C1	36974291	DTUMXNJAZYZLOM-DZGCQCFKSA-N	231.383	4.630	0	10	BJAE	
CC(C)(C)CC(=O)Cc1ccc(C(C)(C)C)cc1	68847922	YCVHWMJOXJJDHE-UHFFFAOYSA-N	246.394	4.532	0	10	BJAE	
C[C@H]1CCC[C@@H](Oc2ccccc2C(C)(C)C)C1	85151834	NFMXVRQCWAJGNL-UONOGXRCSA-N	246.394	4.942	0	10	BJAE	
CC[C@@H]1CCC[C@@H](N[C@@H](C)C2CCCC2)CC1	86909414	RCUBPQOYCUYDCC-SQWLQELKSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)C[C@@]1(N)CCCC[C@@H]1C(C)(C)C	109704145	MHORASMJNLOPPW-LZWOXQAQSA-N	239.447	4.747	0	10	BJAE	
CCC1([C@H](O)c2cc(C)c(C)cc2C)CCCC1	125299378	LFEBVXMKRFBCIA-MRXNPFEDSA-N	246.394	4.616	0	10	BJAE	
Cc1cc(Cl)c(NCCC2CC2)cc1Cl	132134942	IYFHYIFIEKUVHZ-UHFFFAOYSA-N	244.165	4.514	0	10	BJAE	
Cc1ccccc1Sc1c(C)cccc1C	138751190	ZSVDMWNXFVWOJT-UHFFFAOYSA-N	228.360	4.763	0	10	BJAE	
ClC[C@H](Cl)c1ccc(Cl)cc1Cl	146271087	GLJWQAGDENBNTM-QMMMGPOBSA-N	243.948	4.512	0	10	BJAE	
CC1CC(N[C@H]2CCCC[C@@H]2C2CCCCC2)C1	163656304	DXWJBBUTHIFDAY-BNICSPFPSA-N	249.442	4.514	0	10	BJAE	
CC[C@@H]1CCC[C@H]1Nc1cccc2ccccc12	163727922	PNGTURMDQXNBJZ-CZUORRHYSA-N	239.362	4.830	0	10	BJAE	
CCC[C@](O)(c1ccccc1)C1CCCCCC1	167610280	JESRFWGATDGYSG-QGZVFWFLSA-N	246.394	4.645	0	10	BJAE	
CCCN[C@@H](CCC)CCCC1CCCCC1	203528340	JMWRSDCRUQWYME-INIZCTEOSA-N	239.447	4.905	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCCC[C@H]1C	251910849	XRZPWCVLIOWLRH-WCVJEAGWSA-N	237.431	4.514	0	10	BJAE	
CC1=C[C@H]2[C@@H](CCC(C)=CCC1)C2(C)C	263638530	VPDZRSSKICPUEY-KGLIPLIRSA-N	204.357	4.725	0	10	BJAE	in-vitro
CCCN[C@H](C[C@@H](C)CC)[C@H](C)c1ccccc1	300473222	VHZBYFWASWDNLT-ZMSDIMECSA-N	247.426	4.595	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](O)[C@@H](CCCC(C)(C)C)C1	302326833	RNPCOSAZZNJORC-QLFBSQMISA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CC)C(=O)C[C@@H]1CCC(F)(F)C1	304189759	QXGOUFMLCLBXEI-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
C[C@H](CCC(C)(C)C)Nc1ccccc1Cl	304397019	NLXUHKZMBUOJIT-LLVKDONJSA-N	239.790	4.967	0	10	BJAE	
C[C@@H]1CC(NCC(C)(C)C2=CCCC2)C[C@@H](C)C1	308759000	UDDQTWJIANSROF-KBPBESRZSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](NCC)[C@@H]1CCCCC12CCCC2	310283303	PXQJAVPQQBGTFV-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@@H](C)CCC1CCC(C(C)C)CC1	310405917	KLJBFNCSGOGIAP-FHERZECASA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H](CC)[C@@H]1CCCC12CCCCC2	313092928	CDUHFUBUYSZYJR-LSDHHAIUSA-N	237.431	4.515	0	10	BJAE	
CCCCCCN[C@H](CCC)C1CCCC1	313480639	XRYMGUZNTHRWGJ-OAHLLOKOSA-N	225.420	4.515	0	10	BJAE	
CCCNCC1(CC(C)C)CCCCCCC1	317381658	FPCPXCBQNOWBQQ-UHFFFAOYSA-N	239.447	4.763	0	10	BJAE	
CC(C)NCC1([C@H]2C=CCCCCC2)CCCC1	317720492	JOGZSYVPHHPEGM-INIZCTEOSA-N	249.442	4.681	0	10	BJAE	
CCCNC[C@]1(C[C@H](C)CC)CCCC[C@H]1C	318819237	VCFCVOYANGQORR-BZUAXINKSA-N	239.447	4.619	0	10	BJAE	
CC[C@H](C)[C@H](C)[C@@]1(N)CCCC[C@@H]1C(C)(C)C	319750454	XJIBUVCVUHUBLA-AYDFFVQHSA-N	239.447	4.602	0	10	BJAE	
CCCN[C@@H](C(CC)CC)C(C)(C)C1CCC1	322636634	ULAHPLLMJLFNGW-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](N[C@H](C)c1cc(C)oc1C)C1CCC1	322670948	HQPOYIOWSJRFTA-MLGOLLRUSA-N	249.398	4.516	0	10	BJAE	
CCCCC[C@@](C)(O)CC/C=C/c1ccccc1	324021467	NYOXHAPEUSWPKG-MSGBMKDASA-N	246.394	4.811	0	10	BJAE	
CC(C)C[C@H](C)C[C@@]1(N)CCC[C@@H](C(C)C)C1	382681213	RMMQETAOIJSYGW-XHSDSOJGSA-N	239.447	4.602	0	10	BJAE	
CC(C)CCCCC[C@@H](N)c1ccc(Cl)o1	383287607	QHYUNEVIPNEATH-LLVKDONJSA-N	243.778	4.539	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@@H]1CCC[C@H](C)C1	383688339	QBQOJBUUUWXDPZ-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)C[C@](C)(O)c1ccccc1C1CCC1	384547921	FXDBOFRHGXBZKL-KRWDZBQOSA-N	246.394	4.598	0	10	BJAE	
CC(C)C[C@@H](N[C@H]1CCC1(C)C)c1ccccc1	385110025	PJFKOQPLDPYERX-CVEARBPZSA-N	245.410	4.552	0	10	BJAE	
CCCC1(CN[C@H](CC)C[C@@H](C)CC)CCC1	391885266	ZIUSFAXQXMFXSO-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
C1CCC(CCCNCCC2CCCC2)CC1	395192784	BBZQNXBRZFGUKE-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CCc1sc2c(CC)cccc2c1C(F)F	396169044	PXYIXHIJPMTKAU-UHFFFAOYSA-N	240.318	4.964	0	10	BJAE	
C[C@H](CCC1CC1)Nc1ccc2ccccc2c1	398149791	NASSNWBMEFZVJO-CYBMUJFWSA-N	239.362	4.830	0	10	BJAE	
Cc1cc(O)ccc1-c1ccc(C)c2ccccc12	400151434	BXNXFGVCRKYOBW-UHFFFAOYSA-N	248.325	4.829	0	10	BJAE	
CC[C@@H]1CCC[C@H](C(=O)CC(C)(C)C2CC2)C1	405744545	BABUSGUUNRLMHW-OLZOCXBDSA-N	236.399	4.598	0	10	BJAE	
c1csc(S[C@H]2CCc3ccccc32)c1	683738167	MLGBVLMEWBEEKI-LBPRGKRZSA-N	232.373	4.528	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H](CCCC2CCC2)C1	688800827	HUSBRIFPGRYOMA-HUUCEWRRSA-N	236.399	4.742	0	10	BJAE	
CC(C)c1cccc([C@@H](O)CC(C)(C)C2CC2)c1	688901737	VZKWIIAOALXSQN-INIZCTEOSA-N	246.394	4.670	0	10	BJAE	
C[C@H](CC1CCCC1)NCCC1(C)CCCC1	689802892	ALLHPBMAFMQOBV-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
C[C@H]1CCCC[C@@H]1Nc1ccc(C2CC2)cc1	690077396	AAXFLBIXGUKQTA-LRDDRELGSA-N	229.367	4.555	0	10	BJAE	
N=C(Nc1cccc(C2CC2)c1)C1CCCCC1	690101800	ZMCLZCNCGWIDQH-UHFFFAOYSA-N	242.366	4.533	0	10	BJAE	
CC[C@@H]1CCC[C@H](Nc2ccc(C3CC3)cc2)C1	690102783	QMSFDLICNVGYEK-DYVFJYSZSA-N	243.394	4.945	0	10	BJAE	
Cc1ccc(N[C@H]2CCCCC[C@@H]2C)c(C)c1	691070693	KZURNNDKCZSFLA-ZFWWWQNUSA-N	231.383	4.684	0	10	BJAE	
CC[C@H](N[C@@H]1CCCCC[C@H]1C(C)C)C(C)C	691166959	NUYBOWWSBSFVRF-HRCADAONSA-N	239.447	4.616	0	10	BJAE	
CCC[C@H](N[C@@H]1CCCC2(CC2)C1)C1CCCC1	695717162	ONGIZKBBWYKZIY-CVEARBPZSA-N	249.442	4.658	0	10	BJAE	
CCN[C@H](CCC(C)(C)CC)[C@H]1CCC[C@@H]1C	696560910	LHRJOIOJRPDQMO-SOUVJXGZSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H](CCC(C)(C)CC)c1cccs1	696651527	JKKRRCQQUGWBKN-LBPRGKRZSA-N	239.428	4.615	0	10	BJAE	
CC(C)=CCCC1(CNC2CC2)CCCCCC1	698053537	HBPOYJFUIKMZMP-UHFFFAOYSA-N	249.442	4.825	0	10	BJAE	
CN[C@@H](c1cccc(C(C)C)c1)[C@]1(C)CC1(C)C	702169721	DBAALMBKDITVPR-RDJZCZTQSA-N	245.410	4.507	0	10	BJAE	
CCc1ccc([C@H](NC)[C@H](C)CC(C)(C)C)cc1	704727672	IFUZUFDXYPEVIZ-CZUORRHYSA-N	247.426	4.582	0	10	BJAE	
CC(C)[C@@H](Nc1ccc(C2CCC2)cc1)C1CC1	705295775	FTICKFVYFHDIOE-QGZVFWFLSA-N	243.394	4.801	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)[C@H]1CCCC12CC2	706251618	YFFSLARYNDXHNY-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@H](C)CC(C)(C)C	708248811	LHXABSLTFOQDHF-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCC1(CN[C@@H]2CCCC[C@H]2C2CC2)CCCC1	710138720	MFNIEYOZLIKEGJ-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](C[C@@H](C)C(C)(C)C)C(=O)c1ccccc1	711208382	OKAHDJQRZINGGB-QWHCGFSZSA-N	232.367	4.578	0	10	BJAE	
CC[C@H](C[C@@H](N)CCCC1CCC1)C(C)(C)C	711212091	GUBYGCZWOSPHQX-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
CCc1ccccc1N[C@@H]1CC(C)(C)CC[C@H]1C	713057003	GATZXZOCHIYNEZ-CZUORRHYSA-N	245.410	4.876	0	10	BJAE	
C=C/C=C\CCC(=O)c1cc2sccc2s1	713667206	VWUWDHZWTDGVHS-ARJAWSKDSA-N	248.372	4.668	0	10	BJAE	
CC[C@H]1CCC[C@H](C(=O)CCCC(C)(F)F)C1	718708407	CSGOJLBBYZQQGL-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCN[C@H](CCC(C)(C)C)CC1CC(C)(C)C1	723545032	PPMGSVPDKPGKJH-CQSZACIVSA-N	239.447	4.617	0	10	BJAE	
CC1(C[C@]2(N)CC[C@@H]3CCCC[C@H]3C2)CCCC1	723614232	VLSQHAVOWXFMOQ-ZOBUZTSGSA-N	249.442	4.645	0	10	BJAE	
C1=C(CCSC2CCCCC2)CCCC1	1472938621	QRAAOMOIMSJXJJ-UHFFFAOYSA-N	224.413	4.943	0	10	BJAE	
c1ccc2c(c1)CCC[C@H]2SCCCC1CC1	1613498691	SZBXDZQHPMWOPW-MRXNPFEDSA-N	246.419	4.987	0	10	BJAE	
Cc1cccc(CSc2ccccc2Cl)c1	1640674574	CTCXBOFNGUAKIM-UHFFFAOYSA-N	248.778	4.941	0	10	BJAE	
CC(C)CSCc1ccc(CC(C)C)cc1	1652400201	BHUOUDZSIDZBAR-UHFFFAOYSA-N	236.424	4.774	0	10	BJAE	
Fc1ccc(Cl)c(CSC2CCCC2)c1	1656035129	DTRASLHAVQLLAA-UHFFFAOYSA-N	244.762	4.655	0	10	BJAE	
CC[C@H]1CCC[C@@H](C(C)=CCCNC(C)C)C1	1876996364	BTPAYZIGGZHQLJ-JKSUJKDBSA-N	237.431	4.537	0	10	BJAE	
CC(C)CCCc1ccc(Cl)cc1Cl	1889481247	PDJHTFUZOSXWNT-UHFFFAOYSA-N	231.166	4.972	0	10	BJAE	
CCC(CC)CCC[C@H](NC)c1cccs1	1900696630	KYFAPLQRPQCNCY-ZDUSSCGKSA-N	239.428	4.615	0	10	BJAE	
Cc1cscc1-c1nc(CCC2CC2)cs1	1901904709	CINSGJQQKCAPAV-UHFFFAOYSA-N	249.404	4.523	0	10	BJAE	
CCC[C@H](CC)CC[C@@H](O)CC1CCCC1	1905365083	FJTJTEKRYPPMOI-DZGCQCFKSA-N	226.404	4.534	0	10	BJAE	
CCC[C@H](CC)C[C@@](C)(CC)CNC(C)C	1905434484	ZBFZZUNKNUBCAA-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H](N)C(CC)CC)CC1	1909710584	IASXXTYGZHAUDG-DZKIICNBSA-N	239.447	4.747	0	10	BJAE	
CCC[C@@H]1C[C@H]1C[C@@H]1CCC(C)(C)CCC1=O	1910791727	BKLQGCCIUGXFSN-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
CCCC1(C(=O)CCC=Cc2ccccc2)CC1	1911852057	MYSCIRDAPXXMCM-UHFFFAOYSA-N	242.362	4.629	0	10	BJAE	
CC=CCCN[C@H](c1cccs1)C1CCCC1	1912056368	GHLGNONXSVYHPI-HNNXBMFYSA-N	249.423	4.535	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@H](N)C1CC2(CCCCC2)C1	1912644923	IFKWHOPNJDWAJT-FMKPAKJESA-N	249.442	4.501	0	10	BJAE	
CCC(C)(C)CC[C@](C)(N)CCc1ccccc1	1920461610	OJSBFKKDLUZNCY-QGZVFWFLSA-N	247.426	4.553	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@H](O)CC1CCCCCC1	1921555965	VLHJZDGEUANQDS-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
CC1(C)C[C@@H]1CC[C@@H](O)CC1CCCCCC1	1921555967	VLHJZDGEUANQDS-LSDHHAIUSA-N	238.415	4.534	0	10	BJAE	
C[C@@H](C1CCCCC1)[C@@H](N)CC1CCC=CCC1	1924120786	BMUABAHIVPRYIC-YOEHRIQHSA-N	249.442	4.667	0	10	BJAE	
CCN[C@@H](C1=CCCCC1)[C@@H](C)C1CCCCC1	1924136066	PVSUGEATQQELMC-WMLDXEAASA-N	249.442	4.681	0	10	BJAE	
CCC(CC)(CC)[C@H](N)c1csc(Cl)c1	1933943129	NPMGQOLUWMAEMB-LLVKDONJSA-N	245.819	4.618	0	10	BJAE	
CCCC[C@H](C)[C@@H](NCC)c1cscc1C	1938843880	SZWHVHDXOJTLGW-SMDDNHRTSA-N	239.428	4.533	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)CC[C@@H]1CC1(C)C	1940852445	FPODGGXNRJPJBR-MCIONIFRSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H](O)CCC1CCC(C(C)(C)C)CC1	1941160566	ZZEUTNYRKQCEQW-NRXISQOPSA-N	240.431	4.636	0	10	BJAE	
CCC[C@H](C(=O)[C@H]1CCC[C@@H](CC)C1)C(C)C	1941263295	AHFRNEVVEWADSJ-ILXRZTDVSA-N	238.415	4.844	0	10	BJAE	
CCN[C@H](CCCCCC1CC1)C1(C)CCC1	1941588005	XWTKULRBWFVDKX-OAHLLOKOSA-N	237.431	4.515	0	10	BJAE	
CCC[C@@](C)(CNC(C)C)[C@@H](C)CCC(C)C	1942658465	PPKZHRLKFXIDKA-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCN[C@@H](C[C@@H]1CCC[C@H]1C)C(C)(CC)CC	1944832738	PMNIDDWGNCGJJW-ILXRZTDVSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)[C@H](C)NC1(C2CCCCC2)CCC1	1945278807	OUDPSVLEJVODOU-KBPBESRZSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H](C[C@H]1C=CCC1)C(C)(CC)CC	1947592856	MWRBBRSWHLRPJX-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@H](CCC)CCC(C)(C)CC(F)F	1948849173	QXNIVYBWQZDKPR-GFCCVEGCSA-N	249.389	4.616	0	10	BJAE	
C[C@H]1CCC[C@@](CN)(C2CCCCCC2)CC1	1950930476	PGNGVRINRBWJHT-GOEBONIOSA-N	237.431	4.502	0	10	BJAE	
C1CCC(CCN[C@@H]2CCCCC23CCC3)CC1	1967800718	ZFQOMIWZDKAVPA-MRXNPFEDSA-N	249.442	4.659	0	10	BJAE	
C[C@H]1CCC[C@@H](Nc2ccc(C3(C)CC3)cc2)C1	1967842355	HVEAJIJOLNHRQF-XJKSGUPXSA-N	243.394	4.729	0	10	BJAE	
C[C@@H](CC(C)(C)C)N[C@@H]1CCCC2(CCC2)C1	1970477650	XZMVSGFHLFOKRY-UONOGXRCSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](C)CN[C@H]1CC[C@H](C)c2ccccc21	1970821472	IGHITQNVGLCYRV-ZQIUZPCESA-N	245.410	4.651	0	10	BJAE	
CC(C)(CN[C@H]1CCC2(CCC2)C1)C1CCCC1	1971704200	UEUCIHPHQIMOBB-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H](C)C12CCC(CC1)C2	1973843588	GPBBJQREJRZZCT-HOBHPSKFSA-N	249.442	4.514	0	10	BJAE	
CCCC[C@@H](CC)[C@H](CC=C(C)C)NCC	1981002790	UISYYIYVCFRIMP-CABCVRRESA-N	225.420	4.537	0	10	BJAE	
Cc1cscc1N[C@@H]1CCCCCC12CC2	1985665540	QTXSTCGTBYQPOS-CYBMUJFWSA-N	235.396	4.581	0	10	BJAE	
CCCC[C@@H](CC1(CCC)CCC1)NCC	1988462352	TXSORPHCQMMPAS-AWEZNQCLSA-N	225.420	4.515	0	10	BJAE	
CCCCC[C@@H](CC)Nc1ccccc1C	1990092413	ZFUZOLPZKXVILY-CQSZACIVSA-N	219.372	4.766	0	10	BJAE	
CCCCC[C@H](CC)Nc1ccccc1F	1990092790	DRILGKMVXXYLRQ-LBPRGKRZSA-N	223.335	4.597	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)C[C@@H](C)C(C)C	1995205484	TWYRUUDELKZCOK-ZIAGYGMSSA-N	226.404	4.844	0	10	BJAE	
CCCC[C@H](C)CCC(=O)[C@H]1CCC[C@@H]1C	1995205734	VCUVONRVNDSOFC-IHRRRGAJSA-N	224.388	4.598	0	10	BJAE	
CC(C)(C)c1coc2c1ccc1sccc12	1995463334	IRAFUCRWVDKYCV-UHFFFAOYSA-N	230.332	4.945	0	10	BJAE	
CCCN[C@H](CCC)CCC[C@H]1CC[C@@H](C)C1	1996260532	PHQQELIVIPITLM-OWCLPIDISA-N	239.447	4.761	0	10	BJAE	
CCC[C@H](CNC(C)(C)C)C[C@H]1CC[C@H](C)C1	1996271919	SYGZEIAMDSJUJQ-KKUMJFAQSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CCC1CC1)Nc1ccc(C2CC2)cc1	1996372665	PQAFGMHZJMDYBI-GFCCVEGCSA-N	229.367	4.555	0	10	BJAE	
CCN[C@H](CCCC(C)(C)C)C1(C)CC=CC1	1997546641	OKAYUBCQVFXEIS-CQSZACIVSA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)C[C@H](N)CC1CC(C(C)(C)C)C1	1998236333	HWWDRBDNBJJBLX-JXQTWKCFSA-N	239.447	4.602	0	10	BJAE	
CN[C@@H](C[C@@H]1CCC=CCCC1)c1cccs1	1999993438	ZNUBZFAVWCRUFL-KGLIPLIRSA-N	249.423	4.535	0	10	BJAE	
CCC(CC)C[C@@H](O)C[C@H]1CCC=CCCC1	2000001444	MMQNBEDJJCAVIX-JKSUJKDBSA-N	238.415	4.700	0	10	BJAE	
CCCCCC(=O)c1c(C)oc2ccccc12	2000208134	AAYGPHXSTRHPBW-UHFFFAOYSA-N	230.307	4.504	0	10	BJAE	
CCN[C@H](CCCC(C)C)C[C@H](C)CC(C)C	2000306580	CSSKJQLTUIOTIJ-HZPDHXFCSA-N	241.463	4.863	0	10	BJAE	
CCCC1([C@H](NCC)[C@H](C)CC(C)C)CCC1	2000376552	NWYWNNRJUARLJO-HUUCEWRRSA-N	239.447	4.617	0	10	BJAE	
CCC[C@](C)(CNC(C)C)C[C@H]1CC=CCC1	2000515952	ULMBIXNDVQGTDD-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
CCCCCC[C@@H](C[C@H]1CC12CCCC2)NC	2001211706	UEYSYSHHRDPZEJ-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CCCC[C@H](CC)C(=O)C1[C@H]2CCCCC[C@H]12	2002779468	JDBOTXQLLHEFDG-IHRRRGAJSA-N	236.399	4.598	0	10	BJAE	
CCC[C@H](C)CCN[C@H](C)[C@@H]1CCC[C@@H](C)C1	2003019863	XXXALRRIEXYRRR-ZJIFWQFVSA-N	239.447	4.617	0	10	BJAE	
CC(C)(C)CC[C@](C)(N)C[C@@H]1CCC2(CC2)C1	2003217637	LKMJIJVWASAXJZ-ZFWWWQNUSA-N	237.431	4.501	0	10	BJAE	
C[C@@H](C(=O)C[C@H]1CCCC2(CC2)C1)C(C)(C)C	2003274887	HLJDQKHJCFWKGM-QWHCGFSZSA-N	236.399	4.598	0	10	BJAE	
CCN[C@H](CCCC(C)C)[C@@]1(C)C=CCCC1	2003321133	MKHKNXXMJWTIEJ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)(C)CCCCC(=O)c1ccc(F)cc1	2003667386	XGZKEUUPEMTFCF-UHFFFAOYSA-N	236.330	4.615	0	10	BJAE	
CCCN[C@H](CC=C(C)C)[C@@H]1CCCC[C@H]1C	2004228492	PJDGHBGLEKXRFU-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
C[C@@H]1CCC[C@H]1[C@@H]1CCCCCCCCC1=O	2006729516	HYPYBQDDPGIZHP-KFWWJZLASA-N	236.399	4.742	0	10	BJAE	
CC(C)C[C@H](C)C[C@H]1CCC(C)(C)CCC1=O	2009403552	DBQNFLAZKADGRG-UONOGXRCSA-N	238.415	4.844	0	10	BJAE	
CCCCCC[C@@H]1CC[C@H](C)CC[C@@H]1NCC	2009408858	WRBCSXRXNPPHNS-XHSDSOJGSA-N	239.447	4.761	0	10	BJAE	
C[C@@H]1CC[C@H](N)[C@H](C[C@H](C)CC(C)(C)C)CC1	2009419015	HFQBFGBNLVGZFZ-AJNGGQMLSA-N	239.447	4.602	0	10	BJAE	
CC=CCCC[C@@H]1CC[C@@H](NCCC)[C@H]1CC	2009617703	VQXWVNKZWHCDFG-OWCLPIDISA-N	237.431	4.537	0	10	BJAE	
CCC(C)(C)CCN[C@H]1CCCCCC12CC2	2011273553	CDKHHZXBHHKMNM-AWEZNQCLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@@H]1CC(=O)CC(C)(C)C1	2012084728	QUPPPERFLPFVIE-UMVBOHGHSA-N	236.399	4.598	0	10	BJAE	
CC[C@H](CCC(C)C)N[C@@H]1C=CCCC1(C)C	2013270735	LDJQQNHCTOBZPU-HUUCEWRRSA-N	237.431	4.536	0	10	BJAE	
CC[C@](O)(CCC(C)C)C[C@H]1CCC[C@@H](C)C1	2013271986	XQCQOBQCSHSQOT-PMPSAXMXSA-N	240.431	4.780	0	10	BJAE	
CCCC(CCC)CN[C@H]1C[C@H](C(C)(C)C)C1	2013704721	FGHUSUOPMZPLPB-SHTZXODSSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](CNCCC(C(C)C)C(C)C)C(C)C	2015359821	FPAJEPIEBOVAQH-HNNXBMFYSA-N	241.463	4.577	0	10	BJAE	
CC(C)[C@H](C)CC(=O)[C@]12CCCC[C@@H]1CCC2	2015388623	WOUBSERAKTVWFY-FMKPAKJESA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@@H](C)C[C@@]1(CN)CCCC(C)(C)CC1	2015410286	URBMDSXATBBFJO-GOEBONIOSA-N	239.447	4.604	0	10	BJAE	
CCCCCC[C@](C)(O)CC1(C(C)(F)F)CC1	2016725452	SGFIXCBOZGQCHG-LBPRGKRZSA-N	248.357	4.533	0	10	BJAE	
CC(C)(C)C1(C[C@@H](O)CCCC2CC2)CCC1	2017117328	ULZPOHSVRRRDQV-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CCC[C@@H]1CCNC2(CCCC2)C1	2018644860	GJAWFVHCCLKIDU-CQSZACIVSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@@H](C)N1CCCC[C@H](C(C)C)C1	2019408509	GJZSJEPXRUTJKV-CVEARBPZSA-N	239.447	4.569	0	10	BJAE	
CC=C(CC)[C@H](NCCC)[C@H]1CC[C@H](CC)C1	2020966080	NNIAPPQPUJPHIO-BPUTZDHNSA-N	237.431	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1C[C@H](NC)C(CC)(CC)CC	2022487902	XIMFUJBCTOOXFT-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
c1sc([C@@H]2CC[C@H]3C[C@H]32)nc1C1CCCCC1	2026605096	MAUUAGDVFVDYER-YNEHKIRRSA-N	247.407	4.704	0	10	BJAE	
Cc1ccc([C@@H](O)CC2(C)CCCCC2)cc1C	2027311785	OGJFFYNRCQYAPK-INIZCTEOSA-N	246.394	4.697	0	10	BJAE	
CC1(CCCN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	2027838082	WNUUTNXVEQEIKB-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCCNC[C@@]1(CC2CCCC2)CC=CC[C@@H]1C	2027922424	DYHWJUBDBCAQKV-RDJZCZTQSA-N	249.442	4.539	0	10	BJAE	
CCC1([C@H](N)c2ccc(C3CC3)cc2)CCCC1	2028607073	BBOKTJPYBMOPFY-MRXNPFEDSA-N	243.394	4.534	0	10	BJAE	
CC1(C)CCC(CC(=O)[C@@H]2C[C@H]3CCC[C@H]32)CC1	2028772819	VACKMBZVLYEMDR-RBSFLKMASA-N	248.410	4.598	0	10	BJAE	
CC1CC(C)(C(=O)c2cccc(C3CCC3)c2)C1	2029103877	CUBGLMJYOUNWGQ-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
C[C@@H]1C[C@H](C2C(C)(C)C2(C)C)Nc2ccccc21	2034039264	HWUKZEAGSDXOSC-BXUZGUMPSA-N	243.394	4.657	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@H]3CCCC[C@H]32)c1C	2034263647	NNZFJMYANVADDI-BFYDXBDKSA-N	243.394	4.684	0	10	BJAE	
CCN[C@H](C[C@H]1C=CCCC1)C1CCC(C)CC1	2035602673	SPQZAPVTAMJDEQ-ODZFXCKXSA-N	249.442	4.537	0	10	BJAE	
CCC1(C)CC(C(=O)C[C@H]2CC3CCC2CC3)C1	2036489369	QEPZPXWBAZKLLA-IZUSSWBTSA-N	248.410	4.598	0	10	BJAE	
Cc1ccccc1N[C@@H]1C[C@H]2CCCC[C@]2(C)C1	2036670044	YTXYRYOCMIMIKK-BFYDXBDKSA-N	243.394	4.766	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@]1(N)C1=CCCCCCC1	2037073744	NFNKCWAKGUMQAP-OIISXLGYSA-N	249.442	4.667	0	10	BJAE	
CCCN[C@H](CC[C@H](C)c1ccccc1)C(C)C	2038071519	IYCSLLOOXNQIDJ-DOTOQJQBSA-N	247.426	4.595	0	10	BJAE	
CC1CCC(C[C@@]2(N)CCCC3(CCC3)C2)CC1	2041288793	CNHFQAMWFXHAKN-DQPZFDDXSA-N	249.442	4.645	0	10	BJAE	
CC(C)=C(C)CCN1C[C@H](C)C[C@H]2CCCC[C@H]21	2041879561	CSLZIZUAHMCEAJ-DJIMGWMZSA-N	249.442	4.633	0	10	BJAE	
CC1CC(C[C@]2(CNC(C)(C)C)CC=CCC2)C1	2042094230	OJIPDXGMIFOHJE-DQPZFDDXSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C)C1CC(CC(=O)CC2=CCCCC2)C1	2042999702	FSWOTSPGFWLXJN-UHFFFAOYSA-N	248.410	4.908	0	10	BJAE	
CN[C@H](CC1=CCCCC1)[C@@H]1CCCC(C)(C)C1	2045402616	ZWAYITJWQGGKOS-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
CCCC=CCN[C@@H]1CCCCC12CCCCC2	2047589315	HPVNOABSMYMRFD-MRXNPFEDSA-N	249.442	4.825	0	10	BJAE	
C1CCCCC(N[C@@H]2C[C@H]3CCCC[C@H]32)CCC1	2049681064	KGKUMBSSQLLBSD-DJIMGWMZSA-N	249.442	4.658	0	10	BJAE	
O=C1CCCCCC[C@H]1CC=Cc1ccccc1	2049702654	ZFIUYPHEMPVAEL-INIZCTEOSA-N	242.362	4.629	0	10	BJAE	
Cc1ccccc1[C@H](N)CC1=CCCCCCC1	2050450121	MEPJCWWIDUNWOG-QGZVFWFLSA-N	243.394	4.666	0	10	BJAE	
CC[C@H]1CCC[C@H](CC(=O)c2ccc(C)cc2)C1	2050461992	AABMVCPBOWLVNL-GJZGRUSLSA-N	244.378	4.784	0	10	BJAE	
CN[C@@H](CCCC(C)=C(C)C)c1ccccc1F	2050492489	OYXVMGAKPAELMJ-INIZCTEOSA-N	249.373	4.613	0	10	BJAE	
CCC(CC)[C@]1(CNC2CC2)CCCCC12CC2	2053353268	ANERFCGMJZWMAJ-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](C=C1CCCCC1)C1CC(CC)C1	2056872498	DIUXMRPMBZZSHH-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C[C@@H]1CCC[C@H]2C[C@@H]12	2057357673	MOWBNQPTIKUHBR-OLMNGRFOSA-N	248.410	4.598	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2C=CCCCC2)C1	2059490582	VINXPFNSSKUFOP-GTPINHCMSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CC=C([C@]2(N)CCCC(C)(C)CC2)CC1	2061112278	DTFMPIDARYSTTC-YOEHRIQHSA-N	249.442	4.811	0	10	BJAE	
CC[C@H]1CC=C(C2(N)CC3(CCCCC3)C2)CC1	2061122927	SRRFKHASCCJRGG-AWEZNQCLSA-N	247.426	4.565	0	10	BJAE	
C[C@H](NCC[C@@]12CCC[C@@H]1C2)C1CCCCCC1	2061572957	UUENVNRWMPCYBR-USXIJHARSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC(C)(C)C)C(=O)CC1CC(=C2CCC2)C1	2061699553	NOZSZOWSNAEXMK-GFCCVEGCSA-N	248.410	4.908	0	10	BJAE	
CN[C@H](C[C@H](C)C(C)(C)C)C1CC(=C2CCC2)C1	2061730304	GTNCGYQCLVPEHM-BLLLJJGKSA-N	249.442	4.537	0	10	BJAE	
C[C@H]1C[C@H]1CCCC1(N)CCC(C2CCC2)CC1	2062647231	RDBVIFDWKGENPO-MHABSNSOSA-N	249.442	4.501	0	10	BJAE	
C[C@@H](C[C@@H]1CCNC2(CCC2)C1)C1CCCCC1	2063231758	DQXSFQRFXBVSJL-GJZGRUSLSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(C)c1OC[C@H]1C[C@@H]2CCC[C@@H]2C1	2063535907	NJKVFSZLGUYMKO-PHZGNYQRSA-N	244.378	4.509	0	10	BJAE	
CC=CCCC[C@@H](NCC)C12CCCC1CCC2	2063821710	KILNTXMDDROHEQ-AQFXKWCLSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CC12CCC(CC1)C2	2065328207	PNYGBKFMUDHLSB-JCCCHCCOSA-N	249.442	4.515	0	10	BJAE	
CC[C@](C)(CNC1CC1)CC12CCC(CC1)CC2	2065328614	RLAPFGJWVKNWKF-WIHSUSGWSA-N	249.442	4.515	0	10	BJAE	
C[C@H](CC12CCC(CC1)CC2)C1CCC(N)CC1	2065340857	ZXLIDTXMJKPAFE-CWJHNBGESA-N	249.442	4.501	0	10	BJAE	
CCc1cc(N[C@@H](C)C2(C)CCCC2)ccc1F	2067519212	DODYKGIPRDGDMF-LBPRGKRZSA-N	249.373	4.769	0	10	BJAE	
CC(C)c1ccccc1NCC1C[C@@H]2CC[C@H]2C1	2068744251	MLOKOJFUSFPBOA-GJZGRUSLSA-N	243.394	4.658	0	10	BJAE	
CC1(C)CCC[C@H](CNC2(CC3CCC3)CC2)C1	2069585427	RAJDVYDRACBRDC-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CC[C@H]3C[C@@H]2C3)CC1	2072796735	RJUZDKCJRZVWRV-ZKLCHKPXSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@@](C)(NC[C@@H]2CCCC3(CC3)C2)C1	2073063199	CUPIGFOKFOSRRK-GDBMZVCRSA-N	249.442	4.515	0	10	BJAE	
CCC(C)(C)[C@H](C)N(C)Cc1cc(C)cc(C)c1	2074920204	CHIXJIXFLYBVKW-HNNXBMFYSA-N	247.426	4.560	0	10	BJAE	
CCNC[C@]1([C@H]2C=CCCCC2)CC[C@H](CC)C1	2075373426	OMWIDXNHKONINB-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CC=C(CC)[C@@H](NCC)c1cc(C)c(C)cc1C	2077190898	XFPLDILTEVCSDZ-QGZVFWFLSA-N	245.410	4.619	0	10	BJAE	
Cc1ccc2c(ccn2C[C@H]2C[C@@H]2C(C)(C)C)c1	2079818104	HUGUIHWGCDKTEM-CABCVRRESA-N	241.378	4.632	0	10	BJAE	
CCCN[C@H](CC=C(C)C)C[C@@H]1C[C@@H]2CC[C@@H]2C1	2081779028	LKJNYBUBHRCUPD-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(C)c(C(=O)C[C@@H]2C=CCCC2)c1	2082957631	MEUCRBKBJVVHIY-OAHLLOKOSA-N	242.362	4.541	0	10	BJAE	
CCC1CC(C[C@H](NC)C2=CCC(C)(C)CC2)C1	2085000968	LKADMOGVOKAJHY-XUJLQICISA-N	249.442	4.537	0	10	BJAE	
Cc1cc(C)c(N[C@@H]2CC[C@H](C(C)C)C2)c(C)c1	2085239854	JRDWANKSKQRBQX-JKSUJKDBSA-N	245.410	4.848	0	10	BJAE	
C[C@H]1CCC[C@@H](C/C=C/c2ccccc2)C1	2210661548	AQRAQJNWWMQUEG-NMUURSEASA-N	214.352	4.916	0	10	BJAE	
CC1(C)CC[C@@H](C/C=C/c2ccccc2)C1	2210662489	PCBPPAKFRHJGBQ-RZIFZGNASA-N	214.352	4.916	0	10	BJAE	
CC(C)CCCC(=O)[C@H]1C[C@H]2CCC[C@H](C2)C1	2213270860	KDJSOLXXCRRBAA-QDMKHBRRSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1CCC[C@@H]1[C@@H](O)CCCCCCC1CC1	2213583580	UBOJACJQFHWOIS-KBMXLJTQSA-N	238.415	4.534	0	10	BJAE	
CC1(C)CC[C@H](O)[C@@H](CCCCC2CC2)CC1	2214569092	MJZWXWKPFPDUPL-GJZGRUSLSA-N	238.415	4.534	0	10	BJAE	
C[C@@H]1CCC[C@@H]([C@@](C)(O)CCCCC2CC2)C1	2214569687	OMTUXRGKNFUVMM-BMFZPTHFSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(O)cc1-c1ccc(CC(C)C)cc1	2218643403	ZZKKZZZAOZVFIJ-UHFFFAOYSA-N	240.346	4.566	0	10	BJAE	
C(CCCN1CCC[C@H]2CCC[C@H]21)CCC1CC1	2218731886	MTDGKLRBTUQEOH-IAGOWNOFSA-N	249.442	4.611	0	10	BJAE	
O=C(CCCCC1CC1)[C@]12CCCC[C@@H]1CCC2	2220012970	KKHXRGRUUBHNAN-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CCCC(CCC)CNc1c(C)cccc1OC	2220309045	KMHPBVWNMVTREZ-UHFFFAOYSA-N	249.398	4.632	0	10	BJAE	
C1=CC[C@@H](CNCCCCCCCC2CC2)CC1	2223107578	YZFICQVXFNMQMU-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
CCN[C@H]([C@@H](C)c1ccc(C)cc1)C(C)(C)CC	2223967917	HZMUVBBIYOYKPA-GOEBONIOSA-N	247.426	4.513	0	10	BJAE	
Cc1ccc2c(c1)CC[C@H](CC1CCCCC1)N2	2224120521	LTLYUWFZVWNHBA-MRXNPFEDSA-N	243.394	4.692	0	10	BJAE	
CCCCc1ccc(C(=O)C[C@@H](C)CC)s1	2242605007	NEKMJDBKJPJARG-NSHDSACASA-N	238.396	4.710	0	10	BJAE	
CCC[C@@H](CC)[C@@H](N)CC1(CCC)CCC1	2244783748	RIGDHYHMUIDSDG-KGLIPLIRSA-N	225.420	4.501	0	10	BJAE	
CCC[C@H](CC)C(=O)C[C@@H]1C=CCCCC1	2244787094	ZFKNGJFEQHPHBQ-KGLIPLIRSA-N	222.372	4.518	0	10	BJAE	
CCC[C@H](CC)CN[C@@H](CC)CCC(C)C	2244804763	FNXWADQNORAVLJ-GJZGRUSLSA-N	227.436	4.617	0	10	BJAE	
CCC[C@](C)(CC[C@@H]1CCC[C@H](C)C1)CNC	2246661445	AEZCZIDRAJNFHM-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCCC(C)(C)NCC[C@@H]1CCC[C@@H](C)C1	2246695930	ZFCGAMXYWNMVHR-CABCVRRESA-N	239.447	4.761	0	10	BJAE	
CCCC[C@](C)(CCCC[C@@H]1C[C@@H]1C)CNC	2247166091	SSKMVEJEAOEFDG-ARFHVFGLSA-N	239.447	4.619	0	10	BJAE	
CCC(CC)(CC)[C@@H](C[C@H]1CCC1(C)C)NC	2247312012	DTKVYQDUAVQCIP-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
C[C@H](CC1CCC1)NC(C(C)(C)C)C(C)(C)C	2247722929	PXDUOWOGRBNKHS-GFCCVEGCSA-N	239.447	4.616	0	10	BJAE	
C[C@H]1CC[C@@H](Nc2cccc(C(C)(C)C)c2)C1	2249304701	WGBQKMJTQQHVBH-SWLSCSKDSA-N	231.383	4.585	0	10	BJAE	
CCC[C@@H](CC)[C@@H](O)c1cc2ccccc2s1	2250361417	MTHCUTHFHNBTJQ-IAQYHMDHSA-N	248.391	4.761	0	10	BJAE	
CC(C)=CCC[C@@H]1C(=O)C(C)(C)CCC1(C)C	2251706295	CEIHSBJCNNTFIW-CYBMUJFWSA-N	236.399	4.764	0	10	BJAE	
CC1CC(CC[C@@H](N)CCC2CCCCC2)C1	2251750916	MPIUMSUIGJHMFJ-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
CC[C@@H](C(=O)CC1(C)CC(C)C1)c1ccccc1	2253754098	RXGQXTQORAPNMZ-GNHJJJEISA-N	244.378	4.576	0	10	BJAE	
CCNCC1(CC[C@H]2CCC[C@H](C)C2)CC=CC1	2253936559	FHLLRFBCIUOFKU-JKSUJKDBSA-N	249.442	4.539	0	10	BJAE	
C[C@@H]1C[C@@H](C)CC(N)(CC[C@H]2CCCC23CC3)C1	2255330397	MZDINDZOBZIRKN-RBSFLKMASA-N	249.442	4.501	0	10	BJAE	
CCc1cccc(F)c1NC[C@H]1CCC[C@H](C)C1	2256114169	GULVJTFNGGKZDA-STQMWFEESA-N	249.373	4.626	0	10	BJAE	
Cc1ccc([C@@H](N)CCCCC[C@@H]2C[C@H]2C)cc1	2257286795	CEPSNHCELSEVFI-OIISXLGYSA-N	245.410	4.601	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCCC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1	2257313235	CMGUGUOCJDHFCO-LYYZXLFJSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@]12CCC[C@@H]1CC2	2260501319	PEEGMFJKDAGISX-ZACQAIPSSA-N	249.442	4.515	0	10	BJAE	
Cc1cccc(OC[C@]23CCCC[C@H]2CC3)c1C	2260580736	XKTXBGYBZNSPQN-DOTOQJQBSA-N	244.378	4.653	0	10	BJAE	
CNCC1(C[C@]23CCC[C@H]2CC3)CCCCCC1	2260651794	NFKIRXCFAQDINA-DOTOQJQBSA-N	249.442	4.517	0	10	BJAE	
CCCNCC1(C[C@@]23CCCC[C@H]2CC3)CCC1	2260659603	XMTQHIMTIKNWGP-RDJZCZTQSA-N	249.442	4.517	0	10	BJAE	
C[C@H](N[C@H]1CC(C)(C)CCC1(C)C)c1ccco1	2261386582	POHXCJLPESEXFS-JSGCOSHPSA-N	249.398	4.535	0	10	BJAE	
C[C@H](CC1CCC1)C(=O)[C@H]1CCCCC1(C)C	2298886197	ZYOSNZVMLYJFAJ-TZMCWYRMSA-N	236.399	4.598	0	10	BJAE	
CCC(CC)CCC1(O)CC(CC(C)(C)C)C1	2300681743	RZMKSDXWGBQYSP-UHFFFAOYSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CC[C@@H](O)C(C)(C)C1CCCC1	2300684664	WSESEYLJUDBYRY-OAHLLOKOSA-N	240.431	4.780	0	10	BJAE	
CCC(CC)CCC(=O)[C@H]1CC(C)=C[C@H](C)C1	2300702773	YOQSJNSWIZALDP-SWLSCSKDSA-N	236.399	4.764	0	10	BJAE	
CCC(C)=CC[C@@](C)(O)[C@@H]1CCCC(C)(C)C1	2300871366	FFTHWDJHHSTMAC-GDBMZVCRSA-N	238.415	4.700	0	10	BJAE	
CCN[C@H](CC=C(C)CC)C1CCC(C)CC1	2300872174	MWOCMEHMPCNPAU-UYSNPLJNSA-N	237.431	4.537	0	10	BJAE	
CCC(C)=CC[C@]1(O)C[C@@H](C)CC[C@H]1C(C)C	2300882454	VMWRPOYONKRCTN-JYJNAYRXSA-N	238.415	4.556	0	10	BJAE	
CC(=CC[C@](C)(O)[C@@H]1C[C@@H]1C)CCCC(C)C	2300916955	UOHIANCODADLKS-XHSDSOJGSA-N	238.415	4.556	0	10	BJAE	
CC[C@H](C[C@H](N)[C@@H](C)[C@@H](C)C(C)C)C(C)(C)C	2301824086	AAKSFVWGTLBCIJ-XQLPTFJDSA-N	241.463	4.704	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	2301827640	CZOJSADTCGVZIQ-KHMAMNHCSA-N	238.415	4.556	0	10	BJAE	
CC[C@](N)(C1CCCCC1)[C@@H](C)[C@@H](C)C(C)C	2301828138	GXIHNMIHUOSZMI-OFQRWUPVSA-N	239.447	4.602	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)C(=O)[C@@H](C)C1CCCCC1	2301837956	CPYGZYVTOPQELU-IHRRRGAJSA-N	238.415	4.700	0	10	BJAE	
CC(C)C(C(C)C)[C@](C)(O)[C@H](C)[C@@H](C)C(C)C	2301952479	JATMBDAJWAONBK-SQWLQELKSA-N	242.447	4.594	0	10	BJAE	
CCC[C@@H]1CCC(=O)[C@H]([C@H](C)[C@@H](C)C(C)C)C1	2301961312	JNRMQFAOMIEJPH-YJNKXOJESA-N	238.415	4.700	0	10	BJAE	
Cc1sccc1-c1cccc2c1CC(C)(C)C2	2302245397	RAKLWUWNRUSLIM-UHFFFAOYSA-N	242.387	4.848	0	10	BJAE	
CC(C)CC1(c2nc([C@@H]3CC3(C)C)cs2)CC1	2302269457	TVKFMSJPRQMDSD-NSHDSACASA-N	249.423	4.734	0	10	BJAE	
CC1(C)CC[C@H](C[C@](C)(N)CC2CCCC2)C1	2302900624	FAIUGXSIZGFRFD-GOEBONIOSA-N	237.431	4.501	0	10	BJAE	
CC1(C)CC[C@@H](CC[C@@H](N)C2(C)CCCC2)C1	2304413138	XTDWQVYMSXUEFY-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](CC)C[C@@H]1CCC(F)(F)CCC1=O	2307801793	QBUVSKGESITACD-RYUDHWBXSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H](CC)C[C@](C)(CNC)C1CCCC1	2307841192	INKPDANUHRSODI-GDBMZVCRSA-N	239.447	4.619	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C[C@H]1CCC[C@@H]2C[C@H]12	2307907624	MOEUVIALVUBRSQ-IXYNUQLISA-N	236.399	4.598	0	10	BJAE	
C[C@H]1CCC(=O)[C@H](C[C@@H]2C[C@H]2C2CCCC2)CC1	2311610329	MWGUXZZETAWORT-BVUBDWEXSA-N	248.410	4.598	0	10	BJAE	
C[C@@H](CC1CCC1)[C@H]1CCNC2(CCCCC2)C1	2313595557	AGNUDDVFSJCHAO-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CCC(CC)CC[C@H](N)c1ccc([C@@H]2C[C@H]2C)o1	2316247677	HILVPORQYPJBNQ-BNOWGMLFSA-N	249.398	4.619	0	10	BJAE	
CC(=CC[C@@H](N)[C@H]1C[C@H]1C1CC1)CCCC(C)C	2316565505	ZAMGGDPPDQZQSH-YESZJQIVSA-N	249.442	4.523	0	10	BJAE	
CCN[C@@H](CC1CCCCCC1)[C@@H]1CC12CCC2	2316878320	MXZJDTIKKNRIKC-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
C[C@](N)(CC1CCCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2	2316885326	QEGYADRVYVIFQU-NXOAAHMSSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@@H]1Nc2ccccc2C[C@@H]1C	2317950415	JCZOUPPVQOJPKD-AYMQEEERSA-N	245.410	4.588	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)[C@H]1C[C@@H](C)Nc2ccccc21	2317951669	WVHHMNXFMDKXKS-ORIJERBGSA-N	245.410	4.903	0	10	BJAE	
CN[C@H]1CCCC[C@H](CCCC2=CCCCC2)C1	2318592411	ISMAUZOMLTUQNE-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
CC(C)CNCC1(CCCC2=CCCCC2)CC1	2318593068	PNPXXKLEGXLESK-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
CC(C)(C)c1ccc2[nH]c3c(c2c1)CCC3(C)C	2318850272	DIMBPTVEZKHRMK-UHFFFAOYSA-N	241.378	4.689	0	10	BJAE	
CC1=C(C)C[C@H](CC(=O)C2(CC(C)C)CC2)CC1	2320394125	MNMWYQQJQDEHON-OAHLLOKOSA-N	248.410	4.908	0	10	BJAE	
CN[C@H](C[C@H]1CCC(C)=C(C)C1)C1(C)CC(C)C1	2320410493	FFAXAPBIVWOKEQ-WGMOCZARSA-N	249.442	4.537	0	10	BJAE	
O=C1CCCCCCC[C@H]1[C@H](CC1CC1)C1CC1	2320695407	HWFBJGRHOIIQIE-JKSUJKDBSA-N	248.410	4.742	0	10	BJAE	
CCN[C@H](CC1CC1)c1cc(C)ccc1C(C)C	2327677946	OQEFCCBAQYXFAU-QGZVFWFLSA-N	245.410	4.569	0	10	BJAE	
CCC[C@H](CC)C[C@H](NC)[C@H](C)c1ccccc1	2328267913	DJIFGQBISWGKBE-VYDXJSESSA-N	247.426	4.595	0	10	BJAE	
CCOc1ccccc1N[C@H](CC)C[C@@H](C)CC	21513297	CHLUXHCBCMOMIE-UONOGXRCSA-N	249.398	4.712	0	10	BJAE	
CCC[C@@H](C)[C@@H](NCC)c1ccc(C(C)C)cc1	36820129	AUSUVBACXIBVNF-RHSMWYFYSA-N	247.426	4.897	0	10	BJAE	
Cc1cccc(N[C@H](c2cccs2)C2CC2)c1	42328099	NNZCUAYBKANHPO-HNNXBMFYSA-N	243.375	4.620	0	10	BJAE	
CCCCCCC(C)(C)[C@@H]1CC[C@H](C)CC1=O	69405067	RBJYQOSNGAUHMI-UONOGXRCSA-N	238.415	4.988	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccc(C)cc1C	70977177	KAMMCJWVWQTKIV-HOCLYGCPSA-N	231.383	4.684	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1Nc1ccc(C)c(F)c1	70977648	RGRQXKFGSBOAJR-WFASDCNBSA-N	235.346	4.515	0	10	BJAE	
CCCCCCOc1ccc(Cl)cc1C	82032001	LYTPPWIGRJPVHO-UHFFFAOYSA-N	226.747	4.608	0	10	BJAE	
CC1CCC(CNc2ccccc2Cl)CC1	84330838	PSOXMRKTBIBHCL-UHFFFAOYSA-N	237.774	4.578	0	10	BJAE	
C[C@@H]1CCC[C@@H](CNc2cccc(Cl)c2)C1	84340450	HODXZDVUOJYORJ-VXGBXAGGSA-N	237.774	4.578	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(N)C[C@H](C)CC[C@@H]1C	85089254	CVAKCHBNBUTKJR-FXUDXRNXSA-N	239.447	4.747	0	10	BJAE	
CCCCCC[C@H](O)c1cc(C)c(C)cc1C	86493562	MZWFSSYUMIVPJS-INIZCTEOSA-N	234.383	4.616	0	10	BJAE	
CCC[C@@H]1CCC[C@@](O)(C2CCCCC2)CC1	86950975	CRVHILUVCSVCCQ-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CC(C)(C)[C@H]1CCCC[C@]1(O)CC1CCCC1	87164271	AURHXBJCLZYYQB-ZBFHGGJFSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC([C@@H](O)C2CCCCCC2)CC1	87946660	SXXVGRXUJDFPLX-BCLQGDPASA-N	238.415	4.534	0	10	BJAE	
CN[C@@H](c1cc(C)cc(C)c1)C1CCCCCC1	87947227	OUEVYLTYRHBZSD-QGZVFWFLSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H](C)C[C@@H](CNC(C)C)c1ccc(C)cc1	93138854	RHGGYSQDYADRLF-PBHICJAKSA-N	247.426	4.513	0	10	BJAE	
CN[C@H](C1=CCCCC1)C1(CC(C)C)CCCC1	94900961	ZHVDMTUKGNMLFW-MRXNPFEDSA-N	249.442	4.681	0	10	BJAE	
CCCCC1CCC([C@H](NC)c2ccco2)CC1	110226454	XWOLVCHBZUVPFI-XUJLQICISA-N	249.398	4.537	0	10	BJAE	
CCCCC[C@@](C)(O)c1cc2cccc(C)c2o1	124509306	HXEBZMXIMQLYRE-MRXNPFEDSA-N	246.350	4.529	0	10	BJAE	
CCCC[C@@H](CC)Cn1ccc2ccc(F)cc21	128697059	WKWUBBITZVAYPB-CYBMUJFWSA-N	247.357	4.997	0	10	BJAE	
CCC[C@@H]1CC(C)(C)CC[C@H]1CNC(C)(C)C	130063829	CJJZELIQPJKAEV-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1csc([C@@H]2CCC[C@H](C)C2)n1	132278744	RVSQSVQEXUXKDL-SDDRHHMPSA-N	237.412	4.950	0	10	BJAE	
Cc1cscc1N[C@@H]1CCCc2sccc21	134327362	RSVKOZREUSILEP-LLVKDONJSA-N	249.404	4.608	0	10	BJAE	
CCN[C@H](CCC1CCCC1)CCC(C)(C)C	163385742	LZBXZVYXXITJRO-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
CCCNC[C@@H]1CCCC[C@@H]1CCCC(C)C	166349796	YLUWPJWFIZGDFB-CVEARBPZSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](C1CCC(C)CC1)C(C)(C)CC	167926148	RKAGLQXMECTKMK-YMAMQOFZSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCCC1=CCCC1	228575425	SGIQQIDRJDOEHL-PVAVHDDUSA-N	249.442	4.537	0	10	BJAE	
CCCCC[C@@H](NCC)c1cc(C)cc(C)c1	229476932	HDQOHSJQXGLGOA-MRXNPFEDSA-N	233.399	4.534	0	10	BJAE	
CCN[C@H](C=C(C)C)C1(CC(C)C)CCCC1	229741861	CXENAVZMLMDXDJ-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
CCCC1(CN[C@H]2CCC[C@@H](CC)CC2)CC1	233042039	JLOFXLILYZZQMF-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
Cc1cc(C)cc(N[C@@H]2[C@@H](C)CCC[C@H]2C)c1	251069544	IDLDUSJRHKAZOQ-FOLVSLTJSA-N	231.383	4.540	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H]2CCNc3ccccc32)C1	251920105	UPSXFSRPURHJFG-QLFBSQMISA-N	243.394	4.802	0	10	BJAE	
CNC[C@@H](CCCC(C)(C)C)c1ccc(C)cc1	302352617	WPTOSLRVCAYGOL-MRXNPFEDSA-N	247.426	4.514	0	10	BJAE	
C[C@@H]1CCC[C@H](CN[C@H](C)CCC(C)(C)C)C1	302523100	PNABLLQHXYTXRD-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCC1CCC(C(=O)CCCC(C)(C)C)CC1	304150577	PECJBYFXWWLSLP-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC[C@@H](C)[C@@H](C)Nc1cc(C)c(F)cc1Cl	304355785	LOAXNKJXZHQYNX-PSASIEDQSA-N	243.753	4.634	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C[C@@H](C)CC(C)C)c(C)c1	305927840	JDDCREQWFGZNOZ-LRDDRELGSA-N	248.410	4.718	0	10	BJAE	
Cc1cc(C)c([C@@H](O)C[C@H](C)CC(C)C)cc1C	305970744	PUNNOLHJUBGSMJ-PXAZEXFGSA-N	248.410	4.718	0	10	BJAE	
CCCC[C@H](CC)[C@H](CC1(CC)CCC1)NC	310120541	HZHCQEWVFGIZEQ-GJZGRUSLSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCCNCC1CCC(C)(C)CC1	310157100	QKWMICXZUWLADC-UHFFFAOYSA-N	239.447	4.619	0	10	BJAE	
CCCC(CCC)C(=O)c1ccsc1Cl	312578592	RVMSMIPZGUKQMC-UHFFFAOYSA-N	244.787	4.801	0	10	BJAE	
CC(C)NC[C@@]1(CCC(C)(C)C)CC[C@H](C)C1	318122762	VWKKCYHERMKFIY-GOEBONIOSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](Nc1cccc(C)c1Cl)C1CCC1	322419722	YRHNUBBGEZXAAZ-LBPRGKRZSA-N	237.774	4.639	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](O)C[C@@H](C)CC(C)C)CC1	328311373	ALUVTVSIPNSKLO-VGWMRTNUSA-N	240.431	4.636	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CCC(C)(C)C)CC1	328337366	KRGVRNLYRCOCRO-JOCQHMNTSA-N	224.388	4.598	0	10	BJAE	
CCCCCc1ccc(N[C@@H]2CC[C@@H]3C[C@@H]32)cc1	378953637	JOKZHXHGICRTPO-HYVNUMGLSA-N	243.394	4.630	0	10	BJAE	
C[C@H](CCNC(C)(C)C)C[C@@H]1CCC[C@@H](C)C1	379758929	CNILKSLSERYCLO-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCCC1(N[C@H]2C=CCCCCC2)CCCC1	382240818	BEOKZHXJUFAMHT-HNNXBMFYSA-N	235.415	4.578	0	10	BJAE	
CC(C)CCCCC[C@@H]1CCCCC(=O)C1	383100898	FIOFIWYYGOALCD-CQSZACIVSA-N	224.388	4.742	0	10	BJAE	
CCC[C@H](CCCCCC(C)C)CNC1CC1	383316612	WXIKCGGLWAJFBU-OAHLLOKOSA-N	239.447	4.761	0	10	BJAE	
Cc1ccc(NCC2CCCCCCC2)c(F)c1	384551141	WJOUOBRVWZUGKR-UHFFFAOYSA-N	249.373	4.907	0	10	BJAE	
C1CCC(CCCNC(C2CCC2)C2CCC2)C1	385079644	WKGIVPNFLJEHIB-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
Clc1ccc(OCCC2=CCCCC2)cc1	385153046	KLRLZOHTQXCJPB-UHFFFAOYSA-N	236.742	4.609	0	10	BJAE	
CN[C@H](c1ccc(C(C)C)cc1)[C@@H](C)CC(C)C	385328929	BKELWFJLGNYXOM-YOEHRIQHSA-N	247.426	4.753	0	10	BJAE	
CC(C)CCCCC[C@@](C)(O)C1CCCC1	387650487	KILWMCWTYGQIKZ-OAHLLOKOSA-N	226.404	4.534	0	10	BJAE	
COc1c(Cl)ccc2scc(C(F)F)c12	396180969	DVDXXTLGAJMBOU-UHFFFAOYSA-N	248.681	4.501	0	10	BJAE	
CCCC[C@@H](NCCC=C(C)C)c1ccccc1	397786292	YSRDKMFIJKIFCF-QGZVFWFLSA-N	245.410	4.864	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1cc(F)ccc1C	401835586	NSLBXVALYXHQGM-KBPBESRZSA-N	249.373	4.762	0	10	BJAE	
CCCN[C@H](C[C@@H]1CC=CCC1)[C@@H]1CCC[C@H]1C	402119322	ASUDBZAVAMSZEO-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](C)CNc1ccc2c(c1)CCCCC2	404743761	FYWYMYBSQHWMBA-CQSZACIVSA-N	245.410	4.804	0	10	BJAE	
CC(C)c1ccccc1-c1ccc([C@H](C)O)cc1	404880985	BKJJZGOBNQZVNC-ZDUSSCGKSA-N	240.346	4.530	0	10	BJAE	
CCNCC1(CCCC2CC2)CCCCCC1	406060398	KBYCYIZMNFBMTK-UHFFFAOYSA-N	237.431	4.517	0	10	BJAE	
CC1(C)CC(C)(C)CC(CN)(CC2=CCCC2)C1	688323483	AVGYZOTWAHPTJN-UHFFFAOYSA-N	249.442	4.668	0	10	BJAE	
CCCC[C@H](CC)[C@@H](CCCC1CCC1)NC	688371096	WLJDBRWLYGEPRL-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
CC[C@@H](c1ccccc1)[C@H](O)CCCC1CCC1	688423450	SMSMHBGMXQHWMH-DLBZAZTESA-N	246.394	4.512	0	10	BJAE	
CCCN[C@H](c1cccc(C(C)C)c1)[C@H]1C[C@H]1C	688940453	ROEWTQSXIDNQPQ-XOKHGSTOSA-N	245.410	4.507	0	10	BJAE	
Cc1c(Cl)cc(N[C@H](C)C2CC2)cc1Cl	690296729	WXADHIJJHNEMME-MRVPVSSYSA-N	244.165	4.512	0	10	BJAE	
CC[C@H]1CCCCC[C@H]1NCCCC(C)(C)C	691056703	ZUHCKRXSQGLXIO-LSDHHAIUSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)C[C@@]1(O)CCCCC[C@@H]1CC	691172186	XUHIYOSCEPWTKD-GJZGRUSLSA-N	226.404	4.534	0	10	BJAE	
C1CCC(CCCNC[C@@]23CCCC[C@@H]2C3)CC1	693560215	WFJSWYCVELHQKY-SJORKVTESA-N	249.442	4.517	0	10	BJAE	
CC1(C)CCC[C@@H](NC[C@@H]2CCCC3(CC3)C2)C1	695687402	CEUAHPCSEGUDSK-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
CC(C)c1ccccc1C(=O)[C@H]1CCCC12CC2	706295037	PAOPOLUAFWTELT-OAHLLOKOSA-N	242.362	4.573	0	10	BJAE	
C[C@@H](CC(C)(C)C)C(=O)c1sccc1Cl	709249080	JSGOKPUXVIMGIS-QMMMGPOBSA-N	244.787	4.657	0	10	BJAE	
Cc1ccc([C@@H](CNC(C)C)CC(C)(C)C)cc1	713138498	GGADBICEJKRVIK-MRXNPFEDSA-N	247.426	4.513	0	10	BJAE	
CCCN[C@@H](C)CC(C)(C)CC(C)(C)C(C)C	713172947	FVECGHCALZIOLA-AWEZNQCLSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)c1ccc(NC[C@@]2(C)C[C@@H]2C)cc1	714709985	NYKPKYINGIFFDZ-HEHGZKQESA-N	231.383	4.658	0	10	BJAE	
CC1(C)CCCCC[C@H]1N[C@H]1CCC12CCCC2	719294824	BBYDTRNFSBQROP-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
CC[C@@H](CC1CCCCC1)Nc1ccc(O)cc1	720990558	TWBDBEBUSMORHO-AWEZNQCLSA-N	247.382	4.553	0	10	BJAE	
CC1(C)CC(COc2cccc3sccc23)C1	723557709	NVLPHLDXUJRUSU-UHFFFAOYSA-N	246.375	4.716	0	10	BJAE	
C[C@@H](NC1CCC(C(C)(C)C)CC1)c1ccoc1	1255501025	RAUBDBSRFCSIGZ-LRVUVFPRSA-N	249.398	4.535	0	10	BJAE	
CC(C)[C@H](C)SC[C@@H](C)C1CCCCC1	1458965980	APWIYFFVYJKQHT-OLZOCXBDSA-N	228.445	4.981	0	10	BJAE	
CCC(C)=CCc1ccc(C2CC2)s1	1888066310	SAEOCVDKDVYNMW-UHFFFAOYSA-N	206.354	4.524	0	10	BJAE	
CC(C)[C@@H](C)[C@@H](C)Nc1ccc(F)cc1Cl	1901627894	VOTXSCXYQHHOSZ-NXEZZACHSA-N	243.753	4.572	0	10	BJAE	
CCCC[C@@H](C)c1nc([C@@H]2CC2(F)F)cs1	1904863246	RFQBQZXWTWHBHI-BDAKNGLRSA-N	245.338	4.559	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CC(C)(C)C)NCC	1905433369	GOELULXTGLNNQQ-KBPBESRZSA-N	227.436	4.617	0	10	BJAE	
CCCN[C@H](CCC[C@@H]1C[C@@H]1C)CCC(C)C	1908572143	NHQZNMWKMOOXQT-ARFHVFGLSA-N	239.447	4.617	0	10	BJAE	
C=CC=CCCC(=O)[C@]1(C)CC[C@@H](C)C1(C)C	1911781832	PSHZOJWPVIEDBS-CJNGLKHVSA-N	234.383	4.540	0	10	BJAE	
C=CC=CCC[C@H](NCC)[C@H]1CCC[C@H](CC)C1	1912110445	DISXLCYOGGMZFK-ULQDDVLXSA-N	249.442	4.703	0	10	BJAE	
CCc1ccc(NC2CC3(CCCCC3)C2)cc1	1912708588	LPAGHWDLTFXCBR-UHFFFAOYSA-N	243.394	4.774	0	10	BJAE	
CC(C)C[C@H](C)[C@@H]1CCCCCCCC[C@@H]1O	1913402691	FXLGOXOKZUFYGW-JYJNAYRXSA-N	240.431	4.780	0	10	BJAE	
CC(C)C[C@](O)(CCC1CCC1)c1ccccc1	1920027144	IOZJOMWESRCWGV-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
Cc1ccc([C@@](C)(N)C[C@@H](C)C(C)(C)C)c(C)c1	1920489473	LYKLDCPJEQHVNL-PBHICJAKSA-N	247.426	4.550	0	10	BJAE	
CC(C)(C(=O)CC[C@H]1CC1(C)C)C1CCCC1	1921429716	RBULFJJINVEIEC-ZDUSSCGKSA-N	236.399	4.598	0	10	BJAE	
CCc1ccc(C(=O)[C@H](C)C2CCCCC2)cc1	1924098514	HBAMXURUURNZRA-CYBMUJFWSA-N	244.378	4.648	0	10	BJAE	
CC1(C)CC[C@H](C(=O)C[C@H]2C=CCCCC2)C1	1925733636	FYSRSKZKOIDJGY-KBPBESRZSA-N	234.383	4.518	0	10	BJAE	
CCN[C@H](C[C@H](C)CC)C[C@@H]1C=CCCCC1	1925887711	LUIUCYHQKHRLQO-BZUAXINKSA-N	237.431	4.537	0	10	BJAE	
CCc1cscc1C(=O)C[C@H](C)C(C)(C)C	1938809691	IMWBGFBTWOJFSE-JTQLQIEISA-N	238.396	4.566	0	10	BJAE	
CCCN[C@@H](C[C@H](C)CCC)C(C)(C)C1CC1	1941138527	AZCUOMDXWNSHPS-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCN[C@H]([C@@H](C)CC)[C@H](CC(C)C)C(C)C	1941266317	DEEOYWOAMRLSIJ-ARFHVFGLSA-N	241.463	4.719	0	10	BJAE	
CCCN[C@@H](CC(CC)CC)[C@@H](CC)C(C)C	1941271891	GLOWNHRFSSJDNX-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC1(C)CCCCC[C@@]1(O)CCCC1CCC1	1941470758	VADMPIXPWHQAPM-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CCCN[C@@H](CC(C)(C)CC)C1(C)CC(C)C1	1941980796	WRPVWOCOJFUBGV-BBBYJDLNSA-N	239.447	4.617	0	10	BJAE	
CCN[C@@H]([C@@H]1CCC(C)(C)C1)C(C)(CC)CC	1945596594	GTXDPRVRJNNGCM-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@@H]1[C@@H](C)CC[C@@]1(O)CCCC(C)(C)C	1947517308	ZQOBSCQMUDBIAS-LZWOXQAQSA-N	240.431	4.636	0	10	BJAE	
CCN[C@H](C[C@@H]1C=CCCC1)CC(C)(C)CC	1947584336	FVYXZGSNPJIBSD-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CCCN[C@@H](CCC(C)C)C[C@@H]1C=CCCC1	1947592573	KYZONSOWLAJNGQ-CVEARBPZSA-N	237.431	4.537	0	10	BJAE	
CC(C)=CCC[C@@]1(N)C[C@H](C)CCC1=C(C)C	1949026237	YCBJZZQBGZGLLH-GDBMZVCRSA-N	235.415	4.587	0	10	BJAE	
CC(C)CC[C@@H](C)[C@H](N)C1(C)CCCCCC1	1949081261	JEGBPSAVXFOFGU-CABCVRRESA-N	239.447	4.747	0	10	BJAE	
Cc1cc(C)c([C@@H](N)CC2CCC=CCC2)s1	1949081364	LHRYRJOVYJNFHB-AWEZNQCLSA-N	249.423	4.501	0	10	BJAE	
CCCC[C@](CC)(CNCC)[C@H]1CC[C@H](C)C1	1949530059	LVRPLDRSAJPIJL-HRCADAONSA-N	239.447	4.619	0	10	BJAE	
CCCNCc1cc(C2=CCCCCC2)cs1	1950102654	NRBZHEDUFHNSRS-UHFFFAOYSA-N	249.423	4.595	0	10	BJAE	
CC1CCC(CNC2(C3CCCCC3)CC2)CC1	1963113333	XCSMJCUGGDGGNS-UHFFFAOYSA-N	249.442	4.515	0	10	BJAE	
CC(C)[C@H]1CC[C@H](N[C@H]2CCC23CCCC3)CC1	1967700765	ZRGHQHKFGCQWJU-JYJNAYRXSA-N	249.442	4.514	0	10	BJAE	
CCC1(C)CCC(N[C@H]2CCC[C@@H]2C2CC2)CC1	1967846402	CTMISPIOEMSHCF-GMRIPVOYSA-N	249.442	4.514	0	10	BJAE	
C[C@H]1CCC[C@H](CCN2CCC23CCCCC3)C1	1969769287	FQIPOVOZGWYHLY-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCC(CC)N(CC(C)C)C[C@H]1CC[C@@H](C)C1	1971358608	FDRINADMYVXKBV-CABCVRRESA-N	239.447	4.569	0	10	BJAE	
CCCC(C)(C)C(=O)[C@@H]1CCC[C@H](CC)C1	1976008418	MGKHNZOTJXHBRY-QWHCGFSZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@@H](NCC)c1cc(C(F)F)cs1	1977077721	CEILEEPSBWLZPF-SNVBAGLBSA-N	247.354	4.527	0	10	BJAE	
CCCc1csc([C@H]2CCCC(C)(C)C2)n1	1980273771	IAYYHEQEBVDEJJ-NSHDSACASA-N	237.412	4.779	0	10	BJAE	
Cc1cscc1N[C@H](C)[C@@H]1CCC[C@H](C)C1	1980279782	LTFFKNDCBIJNPT-CYZMBNFOSA-N	237.412	4.683	0	10	BJAE	
CC[C@H](C)[C@H](C)C1(O)CCCCCCCC1	1980350711	IRAUXJDRLHHICV-KBPBESRZSA-N	226.404	4.534	0	10	BJAE	
CCCCCN(C)C1CCCCCCCC1	1980372076	YNIQWMDWGAHVQD-UHFFFAOYSA-N	225.420	4.611	0	10	BJAE	
CC1(C)CCC(C)(C(=O)c2cccs2)CC1	1983314317	LYNQNHAOOWEOMW-UHFFFAOYSA-N	236.380	4.537	0	10	BJAE	
CCCC(C)(C)C(=O)c1cc(Cl)ccc1C	1993488388	FOVQVJXVMRWRAW-UHFFFAOYSA-N	238.758	4.657	0	10	BJAE	
CCCC[C@H](C)CC[C@@H](CC=C(C)C)NC	1995259120	KGRJFWUSUCJSGE-LSDHHAIUSA-N	225.420	4.537	0	10	BJAE	
CC(C)CC[C@H](C)[C@@](C)(N)C1CCC(C)CC1	1996594285	KWTLUZYJCOFPRF-BHDPWAOGSA-N	239.447	4.602	0	10	BJAE	
CCCC(C)(C)[C@@H](C[C@H](C)C1CCC1)NCC	1996612952	MLUUGUNKOZOPAN-DZGCQCFKSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](C)c1ccc(NCC2CC(C)C2)cc1	1998416690	XHZNIMYSIZJACS-MOKVOYLWSA-N	231.383	4.658	0	10	BJAE	
CCC1([C@H](O)[C@@H]2CCCC(C)(C)C2)CCCC1	2000025844	YECLQRZNGPWKHT-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CCN[C@H](C[C@@H](C)CC)[C@@H]1CCCC(C)(C)C1	2000044345	IIEXLXIJSOILQO-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CCC[C@@H](C(=O)C(C)(C)C(C)(C)C)C1	2000106502	PHERQIMAEUSCHG-GFCCVEGCSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](C(C)(C)CC)C1(C(C)C)CCC1	2000388766	XCRCPWHGPVHEHL-AWEZNQCLSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CN)CC1CC2(CCC2)C1	2000482823	HCBQFOPIDONKSN-OAHLLOKOSA-N	237.431	4.502	0	10	BJAE	
CCCC[C@@](C)(CNCC(C)C)[C@@H](C)C(C)C	2000510866	FEMGWBVMGLGPRN-HOTGVXAUSA-N	241.463	4.721	0	10	BJAE	
CCCC[C@](C)(CNC(C)(C)C)CC1CCC1	2000513341	IPKGGXVHXJNIIA-INIZCTEOSA-N	239.447	4.761	0	10	BJAE	
CC(C)CCCC(=O)[C@@H]1CCCCCC1(F)F	2000764629	NSBRLAGXGAJSDP-LBPRGKRZSA-N	246.341	4.597	0	10	BJAE	
CC1(C)CCC[C@H]([C@H](N)CCCC2CCC2)C1	2002982649	IOQNGYDOTPZLOV-LSDHHAIUSA-N	237.431	4.501	0	10	BJAE	
CC(C)CC[C@H](C)N[C@H](C)[C@@H]1CCC[C@@H](C)C1	2003020704	ZTFJUBATHKXUNP-QKPAOTATSA-N	239.447	4.616	0	10	BJAE	
CC[C@@](O)(C[C@H]1CCCC2(CC2)C1)C(C)(C)C	2003208634	OXVHSZUDXGACLB-XJKSGUPXSA-N	238.415	4.534	0	10	BJAE	
CC(C)(C)CC[C@@](C)(N)C[C@H]1CCC2(CC2)C1	2003217636	LKMJIJVWASAXJZ-UKRRQHHQSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H]1CCCCCCC[C@H]1CC=C(C)C	2004227512	MEELMZFLKIGYPI-JKSUJKDBSA-N	237.431	4.681	0	10	BJAE	
CC[C@@H](N[C@@H](C)C1(C)CCC1)C1CCCCC1	2004833456	JZTAVVYTSSUEOD-DZGCQCFKSA-N	237.431	4.514	0	10	BJAE	
CCCN[C@@H]1C[C@@H](CC)C[C@@H](CC=C(C)C)C1	2006630990	YPAKSNNPGKPOIC-ARFHVFGLSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(C)(C)C)Nc1ccc2sncc2c1	2008091331	PWZPYAKTNNYIKR-JTQLQIEISA-N	248.395	4.533	0	10	BJAE	
CC=CCCC[C@@H](O)[C@H]1CCCC(C)(C)CC1	2009590928	QXGNQTPNLNIRET-LSDHHAIUSA-N	238.415	4.700	0	10	BJAE	
CC[C@H](C)[C@@](C)(O)C1=CC[C@@H](C(C)(C)C)CC1	2010718604	BYNWTGYATZBDNY-WOSRLPQWSA-N	238.415	4.556	0	10	BJAE	
Cc1ccc(Cl)cc1OCC1CC(=C2CC2)C1	2011067515	UEAWZUYQWOQCEQ-UHFFFAOYSA-N	248.753	4.528	0	10	BJAE	
CCN[C@H](CCC(C)=C(C)C)[C@H]1CCC1(C)C	2014850425	VPRSORYMNWZWBJ-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC(C)C(CC[C@@H]1CCCCC[C@H]1N)C(C)C	2015359525	DIRWUASLBSUBST-GOEBONIOSA-N	239.447	4.602	0	10	BJAE	
CC(C)C[C@@H](C)C(=O)CCC(C(C)C)C(C)C	2015393138	AKIAKHPGVZKVCR-CQSZACIVSA-N	240.431	4.946	0	10	BJAE	
CC(C)CC1(C(=O)CCC(C)(C)C2CC2)CC1	2015746027	SRIPJEAFAHXYLD-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)=CCC[C@H](C)Nc1ccc(F)cc1C	2016146683	ZAYFVRYSXFUHTG-ZDUSSCGKSA-N	235.346	4.681	0	10	BJAE	
C[C@@H]([C@H](O)CC1(C(C)(C)C)CCC1)C(C)(C)C	2017113718	DEBHVIVNCVIFLV-QWHCGFSZSA-N	240.431	4.636	0	10	BJAE	
CC(C)(C)C1(CC(=O)CCC2CCC2)CCC1	2017124804	IMYOOUDUIFMEDT-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)CCCCC[C@H]1CNC12CCCCC2	2017315385	CDTDKJBQKXWLBR-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCCNC[C@]1(CC(C)=C(C)C)CCC1(C)C	2017467262	UXAWOYXDDHVNGA-MRXNPFEDSA-N	237.431	4.539	0	10	BJAE	
CC[C@H](C(C)C)[C@@H](O)C[C@H]1CC[C@H](CC)CC1	2017652761	KUVGXGJJYIQDKA-FPCVCCKLSA-N	240.431	4.636	0	10	BJAE	
CCC1CCC(C[C@@]2(O)CCCC[C@@H]2C)CC1	2017658473	RWEHYHDOSVXNJY-LBDPXKHJSA-N	238.415	4.534	0	10	BJAE	
CCC1CCC(CC[C@@H](C)CNC(C)C)CC1	2017736758	LDPWIJHINUCPCI-QQFBHYJXSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](CCC)C1CCC1	2018127547	IJMWDNZKVSSLAV-HOTGVXAUSA-N	239.447	4.904	0	10	BJAE	
CCCC[C@@H](CC)N(C)CC(C(C)C)C(C)C	2018179982	QGMNPEIIZNXIRG-OAHLLOKOSA-N	241.463	4.815	0	10	BJAE	
CC[C@H](C)[C@H](C)N(C)C1CC(C)(C)C(C)(C)C1	2019386583	ULPQOQGLPPHVKL-STQMWFEESA-N	239.447	4.568	0	10	BJAE	
CC[C@@H](CC1CCCCC1)NCC(F)=C(C)C	2020340748	QUFDPGJJQSWCST-AWEZNQCLSA-N	241.394	4.588	0	10	BJAE	
CCCCCC1CC(N)(C[C@H]2C[C@H]2CCC)C1	2022566314	VDEWIOGTCUGCMT-LVDPKSTMSA-N	237.431	4.501	0	10	BJAE	
CN[C@H](CCCCC(C)(F)F)CCCC(C)C	2023296372	SMMTUZBWQJMMTO-CYBMUJFWSA-N	249.389	4.616	0	10	BJAE	
CCC1(C(=O)CCCCC(C)(F)F)CCCC1	2023344717	WHNGGAQOLUYWTJ-UHFFFAOYSA-N	246.341	4.742	0	10	BJAE	
CCC[C@](C)(O)CC1CC(C)(C)CC(C)(C)C1	2024116167	HBZRYRRRODQQRH-INIZCTEOSA-N	240.431	4.780	0	10	BJAE	
CCC1CC(CC(=O)CC2CCC(C)CC2)C1	2025425848	BGAKEPNFARSGAT-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CC(C)=C(C)CCCC1C[C@@H]2COC[C@H](C1)C2	2026055054	DTHGXWBECYEPER-MQVJKMGUSA-N	236.399	4.576	0	10	BJAE	
CCC(C)(CC)C(=O)c1cccc(C2(C)CC2)c1	2028559730	JNCWYKXHLSPHCB-UHFFFAOYSA-N	244.378	4.747	0	10	BJAE	
CCc1ccc(NCCCCCC2CC2)cc1C	2028627239	BBIDRFOBBLYTJJ-UHFFFAOYSA-N	245.410	4.940	0	10	BJAE	
CCC[C@H](N[C@@H]1CC(C)(C)CC2(CC2)C1)C1CC1	2030281286	LKVMTHXDBAPJLX-CABCVRRESA-N	249.442	4.514	0	10	BJAE	
O=C(C1CCCCCC1)[C@@]12CCCC[C@@H]1CCC2	2031848113	CWDITNKFIZHTME-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
Cc1cc([C@H](N)C(C)(C)C2CCCCC2)oc1C	2032341290	JNRPGFFELULFCO-HNNXBMFYSA-N	249.398	4.503	0	10	BJAE	
C[C@](N)(CC1CCCCC1)CC1[C@H]2CCCC[C@H]12	2032819394	GTGFSNJCECDBJT-ZOBUZTSGSA-N	249.442	4.501	0	10	BJAE	
O[C@@]1(C2=CCCCCCC2)C[C@@H]2CCCC[C@@H]2C1	2034148477	MGEWJCMWYZRREM-SCAQPMJSSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CC[C@](CNC(C)(C)C)(C[C@H]2C=CCC2)C1	2035591103	VKBTVIHNZJTDSJ-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC[C@H](C)c1ccc(CCCCCCCN)cc1	2036116258	MYWJGEWFJBBIGB-HNNXBMFYSA-N	247.426	4.652	0	10	BJAE	
C[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CCCC[C@]3(C)C2)C1	2036668846	VVVHVZKHZHXVMV-NQNKBUKLSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)[C@@H]1CCCC[C@@]1(N)C[C@H]1C=CCCC1	2037306227	ZKJTXJLQEPWJIA-YQQAZPJKSA-N	249.442	4.667	0	10	BJAE	
CN[C@@H](CC1CC(C)(C)C1)C[C@H]1C=CCCCC1	2037970576	SSOJMTIUYXIMSY-GOEBONIOSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H](NCCC1CC(C)C1)c1ccccc1	2038091517	FHYSNAFWTVZULR-VMBOVVBDSA-N	245.410	4.554	0	10	BJAE	
C[C@H]1CCC[C@@H](NCCC2CC3(CCC3)C2)CC1	2038103654	QGFQBPWSLBKLEO-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(NC[C@H]2CC23CCCCC3)c1	2039058618	NVABVSPVJUAJEK-OAHLLOKOSA-N	243.394	4.631	0	10	BJAE	
CCCCC[C@@H](NC)C1CC2(C1)CC1(CCC1)C2	2039460551	RUDFHAWSOQGCJW-OAHLLOKOSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](N[C@H]1CC12CCCCC2)C1(C)CCCCC1	2039866676	AKOAYNSAMCOEMY-CABCVRRESA-N	249.442	4.658	0	10	BJAE	
C[C@@H]1CC[C@H](C[C@@]2(N)CCCCC23CCCC3)C1	2040167133	VWEXPYFYFMOWLI-VYDXJSESSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@@H](CC[C@H]1CC1(C)C)C1(C)CC=CC1	2042025985	ZZRBIJJITLUPBV-GJZGRUSLSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)[C@@H]1[C@@H](C)[C@H]1C	2043288481	ABJGVTIAZAJKEG-YQFWSFKMSA-N	249.442	4.537	0	10	BJAE	
N[C@H](CCC1CCCC1)C[C@H]1CCC=CCCC1	2045316204	BRYHFEGZHNXGJU-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
C1CCCCC(N[C@H](C2CCC2)C2CC2)CCC1	2049676557	VCRBHDVIWKWFFN-QGZVFWFLSA-N	249.442	4.658	0	10	BJAE	
CCCN[C@H](C1=CCCCC1)[C@@]1(C)C=CCCC1	2049999051	YUIFTDZSUODVFU-SJORKVTESA-N	247.426	4.601	0	10	BJAE	
CCCN[C@@H](C1CC(CC)C1)[C@@]1(C)C=CCCC1	2049999478	DCQVGYQBKGPQEM-GQGLESIBSA-N	249.442	4.537	0	10	BJAE	
CCN[C@H]([C@@H]1CCC(C)(C)C1)[C@]1(C)C=CCCC1	2050009306	MHMDZZUHYGLFGK-BFYDXBDKSA-N	249.442	4.537	0	10	BJAE	
Cc1ccc([C@H](O)CCCCCCC2CC2)cc1	2050440029	FDMJMEIPTPKJSF-QGZVFWFLSA-N	246.394	4.779	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)c1cccc(C)c1F	2051397465	AIXKJDMSIQMSKY-HNNXBMFYSA-N	249.373	4.531	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1N[C@@H]1CCC[C@H]2CC[C@H]21	2052310630	ZYWPKSNCQBXPQO-BPKGMFCQSA-N	249.442	4.514	0	10	BJAE	
CC(C)(C)C1CCC(=C2C[C@H](CN)C2(C)C)CC1	2053040091	CREAXHAPGXSYBA-ARLHGKGLSA-N	249.442	4.524	0	10	BJAE	
CC[C@H]1CCCC[C@H]1CNc1ccc(CF)cc1	2055668549	DPZMNWLPMKYPTD-GJZGRUSLSA-N	249.373	4.784	0	10	BJAE	
CC(C)(C(=O)CC1CC(C2CCC2)C1)C1CCC1	2056670713	BFZIFOCRXUHPNG-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CCC[C@@H](NCC1(C2CC2)CCCC1)C1CCC1	2057649814	YPJMGBIWTSPZIH-MRXNPFEDSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H](C)c1ccc(CC[C@](C)(CC)CN)cc1	2058839647	HSZUARPUZOVSIS-PBHICJAKSA-N	247.426	4.508	0	10	BJAE	
C/C=C/CCC[C@H](C[C@H]1CCC12CCC2)NCC	2059249011	DGQSBZKIIMMPPS-BYQDXSGLSA-N	249.442	4.681	0	10	BJAE	
CC(C)[C@@H]1CC=C([C@@]2(N)CCC[C@H]2C(C)C)CC1	2061118519	HQJLKWDHHLEELR-PVAVHDDUSA-N	249.442	4.523	0	10	BJAE	
CC1(C)CC2(CC(C[C@](C)(N)CC3CCC3)C2)C1	2063203628	HZKPOXXHJNFEOT-MRXNPFEDSA-N	249.442	4.501	0	10	BJAE	
O[C@@]1(CCCCCC2CC2)C=CCC2(CCC2)C1	2063677830	LUKRTXAOMHIMJC-KRWDZBQOSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@@](CN)(CC23CCC(CC2)C3)C1	2065338507	SVRMSNAAXCXTML-VXLLPVPCSA-N	249.442	4.502	0	10	BJAE	
C[C@H]1[C@H](C)CCC[C@@]1(N)CC12CCC(CC1)CC2	2065339347	LKUQVBRRUZIARP-RNONSGAXSA-N	249.442	4.501	0	10	BJAE	
CC(C)[C@@H]1CCC[C@H](C[C@@H]2CC23CCCCC3)N1	2066376487	UWHHUIYFDOMLMM-OAGGEKHMSA-N	249.442	4.514	0	10	BJAE	
CCC[C@](N)(CC1C[C@H]2CC[C@@H]2C1)C1CCCC1	2068769904	CPZVPYINVAFFLA-INMHGKMJSA-N	249.442	4.501	0	10	BJAE	
CCC1(CN2CCC[C@@H]2C2CCCCC2)CCC1	2069328305	OBMWPUVUJMQYLT-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
CC(C)C[C@@H]1CCC[C@](N)(C[C@]23CCC[C@H]2C3)C1	2070968917	XOMAVIMIVZRVIU-MWDXBVQZSA-N	249.442	4.501	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@@H]1CC[C@H]2C[C@H]21	2071224295	NYZUVQDBAPYPEL-HRCADAONSA-N	244.378	4.543	0	10	BJAE	
CC[C@@](O)(CC1(C(C)C)CCC1)c1ccccc1	2071897499	PSTAAUMBVHEISR-QGZVFWFLSA-N	246.394	4.501	0	10	BJAE	
CCC[C@H]1CC[C@H](C[C@H]2CCCNC23CC3)CC1	2072822721	XIOXEGJFSYPXGM-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC1(C)C(C)(C)C1(C)C(=O)C[C@@]12CCCC[C@@H]1C2	2074096357	XWYWGVUFRORSOX-PXAZEXFGSA-N	248.410	4.598	0	10	BJAE	
CCC1(CC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	2074596059	XHPXIPJBGJPNPH-RBSFLKMASA-N	248.410	4.742	0	10	BJAE	
c1ccc(C2CC2)c(NC2CCC3(CC2)CC3)c1	2077263787	DGGGLSPAPHZYIP-UHFFFAOYSA-N	241.378	4.699	0	10	BJAE	
CCC[C@H]1C[C@@H]1CNc1ccc(C2(C)CC2)cc1	2079650256	JIIOFVKYANNJOS-UONOGXRCSA-N	243.394	4.586	0	10	BJAE	
CC1(NC[C@H]2C[C@H]2C2CCCCCC2)CCCC1	2079650841	MVZIALZMZMCLMU-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc2ccn(CC(F)=C3CCC3)c12	2081586482	NTSWZZVOSGNMCT-UHFFFAOYSA-N	243.325	4.611	0	10	BJAE	
C[C@@H](C[C@@H]1CCCC2(CC2)C1)[C@H]1CC[C@H](N)CC1	2082135288	BJNWHKJHGXDAEF-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC(C)CCC(=O)c1ccc2c(c1)CCC2(C)C	2082271040	XIKRFYQEDPCEBI-UHFFFAOYSA-N	244.378	4.529	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccc2c(c1)CCC2(C)C	2082275046	KERCDTGKLXHLKM-LBPRGKRZSA-N	244.378	4.529	0	10	BJAE	
CCCC[C@@H](C)CC[C@H](NCC)c1ccccc1	2086048894	ZDOTUBGZKWFDNB-WBVHZDCISA-N	247.426	4.944	0	10	BJAE	
CCC(C)(C)CC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213288317	UNTPPVHHUWVMKB-WDNDVIMCSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)C1CC(C(=O)CCCCC2CC2)C1	2214557359	SZKHUHOSKJJXDA-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
C[C@@H](CC(=O)CCCCC1CC1)CC(C)(C)C	2214561589	YUHHCJLOETUWQS-ZDUSSCGKSA-N	238.415	4.988	0	10	BJAE	
CC1(C)CCC[C@](O)(CCCCC2CC2)CC1	2214562223	FSVSMSQZNZAIHQ-MRXNPFEDSA-N	238.415	4.678	0	10	BJAE	
CC(C)Sc1ccccc1NCC[C@H]1C[C@H]1C	2215311364	HKHGTOYOQXIRGC-OLZOCXBDSA-N	249.423	4.645	0	10	BJAE	
CC[C@H](C)c1ccc(OCC[C@H]2C[C@H]2C)cc1	2215329487	DDEOXFJTDMTWDO-GUTXKFCHSA-N	232.367	4.625	0	10	BJAE	
C[C@H]1C[C@H]1CCC(=O)c1cc2ccccc2s1	2215346822	SQVDANBKIWZQOB-WDEREUQCSA-N	244.359	4.520	0	10	BJAE	
CCCC[C@@H](C)[C@H](CC1(C)CC(C)(C)C1)NC	2215402889	WTANNOLHSRPTIK-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(CC)C(=O)CC1(C)CC2(CCC2)C1	2215440220	PQFJTQUCIVMXBS-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC(C)C(CCC(=O)CCCC(F)F)C(C)C	2216417029	JEEXVJDZELSPGY-UHFFFAOYSA-N	248.357	4.699	0	10	BJAE	
CCC[C@H](CN[C@H](C)CC)[C@@H](C)CCC(C)C	2217140944	KWHQGGVOGDRMMS-ARFHVFGLSA-N	241.463	4.863	0	10	BJAE	
CC[C@H](C)NC[C@@]1(CCCC(C)C)C=CCC1	2217154798	XJAZIKFUBJAIQD-HOTGVXAUSA-N	237.431	4.537	0	10	BJAE	
C[C@@H](CC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CC1	2218337030	XYIFEGJXQSHCGD-BYNSBNAKSA-N	248.410	4.598	0	10	BJAE	
N[C@H](CC1CCCCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218352063	UDPJCXWVEKCYHD-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CCC1(C)CC(N)(CC2C[C@H]3CCC[C@H](C2)C3)C1	2218356392	AMLQWUMUMSVERN-JCAIJIATSA-N	249.442	4.501	0	10	BJAE	
C(CCC[C@@H]1CCN[C@@H](C2CC2)C1)CCC1CC1	2218728323	ULVZIKIWJRAHRY-NVXWUHKLSA-N	249.442	4.515	0	10	BJAE	
CCCc1ccc(CC=Cc2ccccc2)cc1	2219078564	ONUYRUWLTOPXKC-UHFFFAOYSA-N	236.358	4.895	0	10	BJAE	
CCN[C@H](CCCCC1CC1)[C@@]1(C)CC=CCC1	2220043745	BHQLYADHDPPUJU-SJORKVTESA-N	249.442	4.681	0	10	BJAE	
N[C@@H](CC[C@H]1CCCC2(CC2)C1)C1CCCCC1	2220290588	BLEYJRMJRLMBJK-ZBFHGGJFSA-N	249.442	4.645	0	10	BJAE	
CC(C)c1cc(NC2(C(C)(C)C)CCC2)ccn1	2220886784	YEECCLCMVCXZOM-UHFFFAOYSA-N	246.398	4.586	0	10	BJAE	
CC1(C(=O)CCC[C@@H]2CC2(C)C)CC2(CCC2)C1	2220998217	CEVHVYPOTPZSJK-CYBMUJFWSA-N	248.410	4.742	0	10	BJAE	
CCCN[C@H](CC1(C)CC1)C1(C)CC2(CCC2)C1	2221002263	PHIRUDMNVOIVSR-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CCC1CCC(N(C)C[C@]2(C)CC=CCC2)CC1	2221601274	MIBSKUUMGCBNFE-OFLPRAFFSA-N	249.442	4.633	0	10	BJAE	
CC(C)(C)[C@@H]1CCC[C@](N)(C[C@@H]2CC23CCC3)C1	2222272876	ZYLQBBULPSUBNW-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
C(CCCC1CC1)CCC[C@H]1CCCNC12CC2	2223160705	QJFOWOKZBLEGAI-INIZCTEOSA-N	249.442	4.659	0	10	BJAE	
CCC[C@H](C)C[C@]1(CNC2CCC2)CC=CCC1	2223597584	SGPVGJBQYFLKCR-RDJZCZTQSA-N	249.442	4.681	0	10	BJAE	
CC(C)CCC(=O)CC[C@@H]1CCC[C@H](C)C1	2242763922	SKBNPAXCXMQJAG-KBPBESRZSA-N	224.388	4.598	0	10	BJAE	
CCCC[C@H](CC)CSCCCCC(C)=O	2246089056	CYEPAPLKBFSGLX-AWEZNQCLSA-N	244.444	4.695	0	10	BJAE	
Cc1ccc(NCCCC[C@H]2C[C@@H]2C)cc1C	2247113995	FZYMLFRXCJJTKV-GJZGRUSLSA-N	231.383	4.542	0	10	BJAE	
Cc1cc(C(=O)CCC(C)C)cc2ccsc12	2248570040	SIFAGLLCFLDYRV-UHFFFAOYSA-N	246.375	4.829	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@H]1CCCCC[C@H]1O	2248805509	HKDHXKUCSBVBHN-FXUDXRNXSA-N	238.415	4.534	0	10	BJAE	
CCC[C@H](CC)CNc1cccc(C(F)F)c1	2250389271	HVKRFTYACKXGMB-NSHDSACASA-N	241.325	4.862	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](C)[C@H](N)C(C)C	2250469606	QGUUVKFPPGVLTF-HRCADAONSA-N	241.463	4.848	0	10	BJAE	
CC[C@H](C)[C@H](N)CCC[C@@H](C)CCCC(C)C	2250472075	BUXKDWFFWBJUCB-HRCADAONSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCCCC[C@H](N)[C@]12CCC[C@@H]1CC2	2251102714	DQVNZGWCBJGUQN-PMPSAXMXSA-N	237.431	4.501	0	10	BJAE	
CCCC(C)(C)[C@H](O)C[C@@]12CCCC[C@@H]1CC2	2251171831	PZMJYCJJHBSHQR-FMKPAKJESA-N	238.415	4.534	0	10	BJAE	
C[C@H]1C[C@@H]1CCCCC(=O)[C@@H]1[C@H]2CCCCC[C@H]21	2254596171	NDEJDKMVVWSCSX-NBFUAULTSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@@H]1C[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	2255027132	RYJUIIRBEBWVDF-SRABZTEZSA-N	249.442	4.501	0	10	BJAE	
O[C@]1(CC2=CCCCC2)CCC[C@@H]2CCCC[C@@H]21	2255050874	LZXWZXURUNNIQK-ULQDDVLXSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H](CC1=CCCCC1)[C@@H]1C[C@H]1C(C)C	2255098948	CAUIHYALDINUIZ-GVDBMIGSSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CC=C(C)C)C[C@H]1CCCC12CC2	2255241769	APMSPHDZDSKSJK-CVEARBPZSA-N	249.442	4.681	0	10	BJAE	
CC(C)CC1([C@@H](N)CC[C@@H]2CCCC23CC3)CC1	2255331855	OFCAFFLANBRSOD-GJZGRUSLSA-N	249.442	4.501	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CC[C@@H]1C1CCC1	2257316316	QLHOJJPJOCOKKS-XLNGHYISSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(NC2CC(CC3CC3)C2)cc(C)c1C	2258234545	VHWFGJFRCWSXEC-UHFFFAOYSA-N	243.394	4.602	0	10	BJAE	
CC1CC2(C1)CC(C[C@@H](C)c1ccc(N)cc1)C2	2259566110	MTIBNCVNDOLNEJ-OFNHWJQESA-N	243.394	4.589	0	10	BJAE	
CC(C)(C)C1CCC(N[C@@]23CCC[C@H]2CC3)CC1	2260538280	HKMADWNGTKCDBF-KXJMLMMSSA-N	249.442	4.514	0	10	BJAE	
CC1CCC(C(=O)C[C@@]23CCCC[C@@H]2CC3)CC1	2260564402	GCVCIPZOGHQMTG-BOXZVXIZSA-N	248.410	4.742	0	10	BJAE	
C1CCCCN(C[C@@]23CCC[C@H]2CC3)CCCC1	2260565463	AXKJMFDNROPKNT-IRXDYDNUSA-N	249.442	4.613	0	10	BJAE	
O=C(C[C@]12CCC[C@@H]1CC2)C1CCCCCCC1	2260581272	YZSSWICFJYRDKE-NVXWUHKLSA-N	248.410	4.886	0	10	BJAE	
CC(C)c1ccc(NC[C@@]23CCC[C@H]2CC3)cc1	2260593791	YYOQXFDDRRJDTH-RDJZCZTQSA-N	243.394	4.802	0	10	BJAE	
CC[C@H](NC[C@]12CCCC[C@H]1CC2)C1CCCC1	2260630946	ZIKCFGBTAWIGDD-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
CCCCC[C@H](CC)N(C)[C@@H](C)CC1CCC1	2298871422	SGIVBQSJDINVEY-HOCLYGCPSA-N	239.447	4.856	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](CCC(CC)CC)NCC	2300675193	BTVUKGXGFKTYBS-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC(CC)CC[C@H](NC)[C@@H](CC)CC(C)C	2300686066	MCNAFENXCPZNEW-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CCC(CC)CC[C@@]1(N)CCCC12CCCC2	2300703514	GZSDAXPPDKHIBU-INIZCTEOSA-N	237.431	4.645	0	10	BJAE	
CCC(C)=CCC1(O)CCCCCCCCC1	2300905732	AMIYTNGHBWGGSD-UHFFFAOYSA-N	238.415	4.988	0	10	BJAE	
CC(C)[C@H](C)[C@@H](C)C(=O)C1(C)C(C)(C)C1(C)C	2301960149	ZUWWEXAUGIHHPL-NWDGAFQWSA-N	238.415	4.556	0	10	BJAE	
C[C@@H]1CCCC[C@H]1c1nc([C@H]2CC2(C)C)cs1	2302256610	FFANJXUEJRJZOA-IJLUTSLNSA-N	249.423	4.950	0	10	BJAE	
CCCC[C@H](C)[C@@H](C[C@H]1CCC(C)(C)C1)NC	2302676631	WPUHXTCOLKLTSB-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCCC1([C@H](O)C[C@H]2CCC(C)(C)C2)CCC1	2302714572	ZJAKWZPBULPCDL-ZIAGYGMSSA-N	238.415	4.534	0	10	BJAE	
CC(C)C[C@H](C)[C@@](C)(O)C[C@H]1CCC(C)(C)C1	2302715124	CSOQGIYCQJEXHD-DZKIICNBSA-N	240.431	4.636	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CCCC[C@@H]2C[C@H]21	2302850141	RXJINJVEHFTCRS-QKPAOTATSA-N	237.431	4.514	0	10	BJAE	
CCc1cscc1N[C@H]1CCCCCC12CC2	2302887996	SROKZAPDILMDRL-AWEZNQCLSA-N	249.423	4.835	0	10	BJAE	
CCCC[C@H](C)N(C)C[C@@H]1CC[C@H]1C(C)(C)C	2303496699	SHMSAWIKRHOXIS-SOUVJXGZSA-N	239.447	4.569	0	10	BJAE	
CCC(CC)CC(=O)C[C@@H]1CC[C@H]1C(C)(C)C	2303505820	KWFAHTDXAFWNFX-DZGCQCFKSA-N	238.415	4.844	0	10	BJAE	
CCC[C@]1(CNC(C)(C)C)CCC(C)=C(C)C1	2303585391	WBHFHKCWYHYWGX-INIZCTEOSA-N	237.431	4.681	0	10	BJAE	
CC1(Cc2cc(=S)c3ccccc3[nH]2)CCC1	2304031802	BSIQEWQMOMTNAW-UHFFFAOYSA-N	243.375	4.630	0	10	BJAE	
CCC[C@@H](CC)CN(C)[C@@H](C)C1CC(C)(C)C1	2307898733	MJFLRFFIQBPCTG-UONOGXRCSA-N	239.447	4.569	0	10	BJAE	
CCC[C@@H](CC)CC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1	2307923239	IOKWIFBUQXPHBI-APIJFGDWSA-N	236.399	4.598	0	10	BJAE	
CC1(CC[C@H](N)[C@H]2C[C@@H]3CCCCCC[C@@H]32)CC1	2310189709	JMDVZDZNPAUJMJ-VGWMRTNUSA-N	249.442	4.501	0	10	BJAE	
CC1=CCC[C@@H](C)[C@H]1C(=O)C[C@@H]1C[C@H]1C(C)(C)C	2311610465	ROBVXZDDOMJTTL-CTASWTNQSA-N	248.410	4.620	0	10	BJAE	
CC1(C)C[C@H]1CCC(=O)C(CC1CC1)CC1CC1	2313647356	GIYHSKXJTYIGKX-OAHLLOKOSA-N	248.410	4.598	0	10	BJAE	
CC(C)CCC[C@@](C)(N)C[C@H]1C[C@H]2C=C[C@H]1CC2	2315951108	BTPUNFKTJYBNFJ-MWDXBVQZSA-N	249.442	4.523	0	10	BJAE	
CC(=CC=C1[C@H](C)CNC[C@H]1C)CCCC(C)C	2316538173	VODCEJQAGPGSPD-HZPDHXFCSA-N	249.442	4.561	0	10	BJAE	
CC(=CC[C@@H](N)c1coc(C)c1)CCCC(C)C	2316578434	GJTKXVLXIQSYHA-MRXNPFEDSA-N	249.398	4.751	0	10	BJAE	
CN(CC1CCCCCC1)[C@@H]1CCCCC12CC2	2316880162	WBKWVSWGMGMFNJ-MRXNPFEDSA-N	249.442	4.611	0	10	BJAE	
Cc1cccc(C(=O)CC2CCCCCC2)c1F	2316884945	ODKMFIPUUOHHSM-UHFFFAOYSA-N	248.341	4.677	0	10	BJAE	
O=C(CC1CCCCCC1)[C@@H]1CC[C@H]2C[C@H]2CC1	2317002916	HJZLMPLENBWDDA-MUJYYYPQSA-N	248.410	4.742	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCNc1cc(F)ccc1C(C)C	2317921901	DAXIHGSWGGZXQB-OLZOCXBDSA-N	249.373	4.797	0	10	BJAE	
CN[C@H](CCC1=CCCCC1)C1=CCCCCC1	2317974404	PZHWMYMZLHQFQP-QGZVFWFLSA-N	247.426	4.746	0	10	BJAE	
N[C@@H](CCCC1=CCCCC1)C1(C2CCC2)CC1	2318545643	KVQZVHVQGDYKTH-INIZCTEOSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1C[C@@H]1CCC[C@@H](N)C[C@@H]1CCC=CCCC1	2318929469	SCSXFLTUGRKNJT-WCXIOVBPSA-N	249.442	4.667	0	10	BJAE	
N[C@H](CC[C@@H]1CC[C@H]1C1CC1)CC1CCCCC1	2319694392	XPKFJTPALQHKMP-ZACQAIPSSA-N	249.442	4.501	0	10	BJAE	
Cc1cc(C)cc(NCC[C@@H]2CC[C@@H]2C2CC2)c1	2319738846	RDJGDBJSAWIEOM-DOTOQJQBSA-N	243.394	4.542	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@H]2CCC(C)=C(C)C2)C1	2320236793	CENICBXDTRSQLL-ZACQAIPSSA-N	249.442	4.681	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H]1CCC(C)=C(C)C1	2320329379	TYPIGXBIWOCILO-SJORKVTESA-N	249.442	4.977	0	10	BJAE	
CC[C@@](O)(Cc1cccc(C(C)C)c1)C(C)(C)C	2320635153	WYEXJZJCFJVRNY-QGZVFWFLSA-N	248.410	4.540	0	10	BJAE	
CC1(C)CCCC[C@@H]1C(=O)[C@@H](CC1CC1)C1CC1	2320817677	XWMBJJPPLPJFKE-LSDHHAIUSA-N	248.410	4.598	0	10	BJAE	
CCc1cc(F)cc(NC2C[C@H](C)C[C@@H](C)C2)c1	2321085259	QZYMFIAZNSKCSG-VXGBXAGGSA-N	249.373	4.625	0	10	BJAE	
CCc1cc(F)cc(N[C@@H]2CCCCC[C@@H]2C)c1	2321088945	GYKCALKLMVUTLB-BLLLJJGKSA-N	249.373	4.769	0	10	BJAE	
CCC1CC(CC(=O)C23CC(CC(C)C)(C2)C3)C1	2321589578	KNRRMMGBMCUMGD-UHFFFAOYSA-N	248.410	4.598	0	10	BJAE	
CC1(C)CC[C@H](CCC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C1	2321636279	HIONKLHIRACGHK-XQLPTFJDSA-N	248.410	4.598	0	10	BJAE	
CCCCCCN[C@H](C)CCCCCC	20361356	PEKKRLZASLNCRK-CQSZACIVSA-N	213.409	4.515	0	10	BJAE	
C[C@H](NC(C)(C)CC(C)(C)C)c1ccccc1	34981120	FBEYWLWTLIPWBE-ZDUSSCGKSA-N	233.399	4.552	0	10	BJAE	
CCCCCC(CCCCC)NCC1CCC1	37253740	RKJHNBYVBGHZHB-UHFFFAOYSA-N	239.447	4.905	0	10	BJAE	
C[C@@H](CNc1cccc2ccccc12)C(C)(C)C	38437771	RTLPOLDMBYMBOG-ZDUSSCGKSA-N	241.378	4.934	0	10	BJAE	
CCCC[C@@H](CC)[C@H](O)c1cc(C)sc1C	71085911	WVYGHJVDDWBUPT-OCCSQVGLSA-N	240.412	4.615	0	10	BJAE	
CCCC1CCC(N[C@H](CC)CCC)CC1	71106166	MEUWAUFWXYBVFU-SHARSMKWSA-N	225.420	4.514	0	10	BJAE	
CC[C@H]1CC[C@@H](Nc2ccc(C(C)(C)C)cc2)C1	80425979	FKPCKXREXARYFA-XJKSGUPXSA-N	245.410	4.975	0	10	BJAE	
Cc1ccc(C(C)C)cc1-c1cccc(C=O)c1	84051807	ZSOURWKWZBQYRZ-UHFFFAOYSA-N	238.330	4.598	0	10	BJAE	
Cc1ccc(N[C@@H]2C[C@H](C)CC[C@@H]2C)cc1C	85085001	VVWJZBCHPNEXPH-PVXIVEMSSA-N	231.383	4.540	0	10	BJAE	
C[C@@H](Nc1ccsc1)c1ccc(Cl)s1	85528436	XCRCBHULPBIKMM-SSDOTTSWSA-N	243.784	4.636	0	10	BJAE	
CCCN[C@H](CC(C)C)c1cc(C)c(C)cc1C	86494798	CTBIYLHBFBJCPD-QGZVFWFLSA-N	247.426	4.699	0	10	BJAE	
CC[C@@H]1CCC[C@@H](Nc2ccc(F)c(C)c2)CC1	86908483	DYAUAWOMPFLHNX-ZIAGYGMSSA-N	249.373	4.905	0	10	BJAE	
CCN[C@H](C)c1cc2c(C)ccc(C(C)C)c2o1	88073375	YPGQCGSYKLJXNV-GFCCVEGCSA-N	245.366	4.535	0	10	BJAE	
Cc1ccc([C@@H](C)NC2CCCCCC2)cc1F	94836653	VZSBDPPPLDCLMV-CYBMUJFWSA-N	249.373	4.508	0	10	BJAE	
CCCC[C@H](NCCCC(C)C)c1ccccc1	109920826	CANDBKWRIWVWRC-KRWDZBQOSA-N	247.426	4.944	0	10	BJAE	
CCCC[C@H](CC)c1nc2ccc(CC)cc2[nH]1	124909087	OWHXCPUXHITNCB-ZDUSSCGKSA-N	244.382	4.809	0	10	BJAE	
CC[C@@H](C)C[C@@H](CNC(C)(C)C)C1CCCC1	128314628	YGNNLYMAAACLMO-HIFRSBDPSA-N	239.447	4.617	0	10	BJAE	
CCCc1ccc(C(CC)CC)c(NC)c1	139146310	ZANJMXGAFNYCIF-UHFFFAOYSA-N	219.372	4.584	0	10	BJAE	
CC(C)CCCNc1ccc2sccc2c1	165260658	ZLQNMEOCVDIOHD-UHFFFAOYSA-N	233.380	4.749	0	10	BJAE	
CCCN[C@@H]1CCCCC[C@H]1CCCC(C)C	165488260	WAQJHVUYNTZHHN-JKSUJKDBSA-N	239.447	4.761	0	10	BJAE	
C1CCC(NC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	167846458	NBQXCCPWPQUQDL-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CCC[C@@H]([C@H](N)CCC2CCCC2)C1	169184833	GYHQNRMGQNMKCJ-NUEKZKHPSA-N	237.431	4.501	0	10	BJAE	
CCN[C@H](C1=CCCCCC1)c1ccccc1C	203414040	SWDHORBXIGREHD-QGZVFWFLSA-N	243.394	4.536	0	10	BJAE	
CCCC[C@H](NC(C)C)[C@@H]1CC[C@@H](C)[C@@H](C)C1	222193511	VXZYFMAJWORSAC-QXSJWSMHSA-N	239.447	4.616	0	10	BJAE	
FC(F)(F)c1ccc2c(Cl)cccc2c1	223851991	FDFDLCUSTXYUOA-UHFFFAOYSA-N	230.616	4.512	0	10	BJAE	
CC[C@H]1CCC[C@H]([C@@]2(O)CCC[C@@H](CC)C2)C1	226986216	LOBUMBXDPNEIPR-XUWVNRHRSA-N	238.415	4.534	0	10	BJAE	
CC[C@H]1CCCC[C@H]1[C@@]1(N)CCC[C@H](C2CC2)C1	227175074	KTAXNCWTQNNXGN-QMCVQRASSA-N	249.442	4.501	0	10	BJAE	
c1cc(-c2cccc3c2CCN3)cc(C2CCC2)c1	229614712	BEVJZKQYCXVKEL-UHFFFAOYSA-N	249.357	4.589	0	10	BJAE	
CCc1ccccc1N[C@@H]1CCC12CCCCC2	230162227	MPALUNYHRGDOSM-MRXNPFEDSA-N	243.394	4.774	0	10	BJAE	
CCC[C@H](NCC1(CC)CCC1)c1ccccc1	233358413	NCEKXPROXNMYKT-INIZCTEOSA-N	245.410	4.698	0	10	BJAE	
C[C@H]1C[C@@H](C(=O)C2(C)CCCCC2)CC[C@H]1C	235341418	SRNUJKKERCIUHL-RDBSUJKOSA-N	236.399	4.598	0	10	BJAE	
C[C@@H]1Cc2ccccc2N[C@H]1C1CCCCCC1	235352905	JWNQHEZRXVRCEV-CXAGYDPISA-N	243.394	4.630	0	10	BJAE	
Clc1cccc(N[C@H]2C=CCCC2)c1Cl	236055066	ZLLZZNYEDGAQKD-VIFPVBQESA-N	242.149	4.514	0	10	BJAE	
Cc1cccc(N[C@@H]2CC[C@@H](C)C[C@H]2C)c1C	250992654	CXWUPGRLXVIMMY-UXIGCNINSA-N	231.383	4.540	0	10	BJAE	
CC[C@H](C)C[C@H](CC)N[C@@H]1CC[C@@H](C)C[C@H]1C	252029269	YYEWKYAUMFADIS-CQJMVSDSSA-N	239.447	4.616	0	10	BJAE	
CC[C@H](C)[C@H](C)N[C@H]1CC[C@H](C)c2ccccc21	252723298	TWWKIXOQPHNGGB-WSMBLCCSSA-N	245.410	4.649	0	10	BJAE	
CCCCCC[C@H](C)N[C@H]1CCC[C@H]1CC	252953980	QKKPGMYCJHOOQY-ZNMIVQPWSA-N	225.420	4.514	0	10	BJAE	
CC(C)c1c(Cl)cnc2cc(Cl)ccc12	258340606	TWLKHDXMZAICRW-UHFFFAOYSA-N	240.133	4.665	0	10	BJAE	
CC(C)N(C)c1ccc(C2CCCCC2)cc1	260200595	UEEWAIRXKZPPFO-UHFFFAOYSA-N	231.383	4.579	0	10	BJAE	
CC[C@@H]1CC[C@@H]([C@H](NC)C2=CCCCCCC2)C1	300136764	KZCOYBNMZHVWNX-DJIMGWMZSA-N	249.442	4.681	0	10	BJAE	
CN[C@H](C1=CCCCCCC1)[C@H]1CCCC1(C)C	300283787	LWBDSGJYZYSLOI-HZPDHXFCSA-N	249.442	4.681	0	10	BJAE	
Cc1ccc(C(=O)CCCC(C)(C)C)cc1F	304142239	INFAVIIBIBCVRX-UHFFFAOYSA-N	236.330	4.533	0	10	BJAE	
CCCN[C@@H](C1=CCCC1)[C@@H](CC)CC(C)C	308049573	FORQYGOQJPQCBJ-GOEBONIOSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)c1cccc(CC)c1	308053661	JSCKZDOUHYZWST-OAHLLOKOSA-N	246.394	4.894	0	10	BJAE	
CCCCCC[C@H](C)NCCC1(C)CCCC1	310334229	CGLBWNKCFQOIQF-HNNXBMFYSA-N	239.447	4.905	0	10	BJAE	
CCNCC1(C[C@H](C)CC)CCCCCCC1	317833173	AMAFNSUTBWGEPB-OAHLLOKOSA-N	239.447	4.763	0	10	BJAE	
CC(C)(C)[C@@H](O)CCCC/C=C/c1ccccc1	324081347	ZFJVDMZKGBOKQU-BPLPYTOXSA-N	246.394	4.667	0	10	BJAE	
CC(C)CCCCCN[C@@H](C)CCC(C)C	383145252	NIFUUWHFEWOQHO-HNNXBMFYSA-N	227.436	4.617	0	10	BJAE	
CC(C)CCCCC[C@@H](C)[C@H](N)c1ccccc1	383370880	JHJRHBCFQLOJHP-WBVHZDCISA-N	247.426	4.929	0	10	BJAE	
CC(C)CCC[C@@H](N)c1ccc2sccc2c1	386190943	BSPCAWITDDFIEY-CQSZACIVSA-N	247.407	4.727	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@H]2CC23CCCC3)CC1	386905066	MMGKRLBKGPYQLX-OAGGEKHMSA-N	249.442	4.658	0	10	BJAE	
Cc1ccc([C@H](C)NCC(C)(C)CC(C)C)cc1	391213357	WHYGWFYKSHGAMH-HNNXBMFYSA-N	247.426	4.718	0	10	BJAE	
CC[C@@H](C)c1ccc(OCC2(C)CCC2)cc1	393848823	IMGRHDSLLRRLMS-CYBMUJFWSA-N	232.367	4.769	0	10	BJAE	
CCC(CC)[C@H](C)NCC(CC)(CC)CC	395163182	VGKKGJVHCBLYLR-ZDUSSCGKSA-N	227.436	4.617	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)CC1CCCCC1	395204738	XXSRCRMODXZBLO-AWEZNQCLSA-N	226.404	4.534	0	10	BJAE	
CCc1cc(C(F)F)cc2scc(F)c12	396226585	YKPOXJIUKZFLQL-UHFFFAOYSA-N	230.254	4.540	0	10	BJAE	
CSc1cccc(NCCC(C)(C)C2CC2)c1	405957790	MEQIXGDCNXERLQ-UHFFFAOYSA-N	249.423	4.647	0	10	BJAE	
FC(F)c1cc(Cl)c(C(F)F)cc1Cl	575678016	QSKYBPJWXHZANH-UHFFFAOYSA-N	247.018	4.869	0	10	BJAE	
CC(C)C1(CNc2ccsc2Cl)CCC1	687276502	PJEISKBQAOTOPB-UHFFFAOYSA-N	243.803	4.640	0	10	BJAE	
CCCC[C@H](C)[C@H](CCCC1CCC1)NCC	688369472	RGVRLNVPDWIASN-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@H](CNc1cccc2ccccc12)CC(F)F	688784943	BOJVWBZIHNQZQB-NSHDSACASA-N	249.304	4.543	0	10	BJAE	
CC(C)c1cccc(-c2ccc(Cl)c(O)c2)c1	688952595	KWLPHNYVGBNKLH-UHFFFAOYSA-N	246.737	4.836	0	10	BJAE	
CC[C@H]1CCCCC[C@@]1(O)CC1CCCCC1	691184757	JKZRPUSEEHWPTA-JKSUJKDBSA-N	238.415	4.678	0	10	BJAE	
CC[C@@H]1CCCCC[C@H]1N[C@H]1CCCC1(C)C	691188595	SKRRQFRGABGONG-KFWWJZLASA-N	237.431	4.514	0	10	BJAE	
CCCN[C@H](C1=CCCCCCC1)C1CC(C)C1	691911484	VKOXNNKPVLLRMH-BDVYOWHSSA-N	249.442	4.681	0	10	BJAE	
CCN[C@@H](CC(C)C)[C@@H](C)CC1CCCCC1	695099589	KXJJRCIWDLYHJT-HOCLYGCPSA-N	239.447	4.617	0	10	BJAE	
CCCCC[C@@]1(N)CCCCC[C@@H]1C(C)C	704452984	DGBJBEIFJCFQPA-HUUCEWRRSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@@H](CC)C[C@](O)(C1CCC1)C1CC1	705310638	NBJRCRDBNUIWTC-CJNGLKHVSA-N	238.415	4.534	0	10	BJAE	
CCCN[C@H](C1CCCCC1)[C@@H]1CCCC12CC2	706310089	JIQUTDPBIWUCRY-JKSUJKDBSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@@H]1CCCC[C@H]1C[C@@H](C)C(C)(C)C	710755078	STJDKSWSQOQLDK-QLFBSQMISA-N	239.447	4.617	0	10	BJAE	
CCNC[C@H]1CCCC[C@H]1CCC(C)(C)CC	711293896	KXJAMZCJJJUWHO-LSDHHAIUSA-N	239.447	4.619	0	10	BJAE	
CC1CCC(N[C@@H](C2CCCC2)C2CCC2)CC1	711829775	AGZRTXNUPFZEML-IMRCBTMISA-N	249.442	4.514	0	10	BJAE	
C=C/C=C\CC[C@H](NCCC)[C@@H](C)CCCC	713683493	LDXPSMADEFNURM-PCOVPTDHSA-N	237.431	4.703	0	10	BJAE	
CC(C)CCCCCCNC[C@@]1(C)CC1(C)C	717142313	CYNDJPQWNLKAQU-MRXNPFEDSA-N	239.447	4.619	0	10	BJAE	
CC(C)=C(C)CCNc1ccc2c(c1)CCCC2	718619412	HFSGSTUHGOBZSZ-UHFFFAOYSA-N	243.394	4.724	0	10	BJAE	
CC1(C)CCCCC[C@@]1(N)CC1CCCCC1	719205342	WIKCWKYANYIKMN-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCC(C)(CC)[C@](O)(CC)CC1CCCCC1	721002238	YGCFBWZVJOHNMX-INIZCTEOSA-N	240.431	4.924	0	10	BJAE	
CCC(C)(CC)[C@@H](O)c1cscc1C(F)F	721710848	WVTLFYRVHMSDAY-JTQLQIEISA-N	248.338	4.545	0	10	BJAE	
CCC[C@@H](N[C@@H](C1CCCCC1)C1CC1)C1CC1	723979314	BKGDFHRKESCMCD-SJORKVTESA-N	249.442	4.514	0	10	BJAE	
CCC[C@H](Nc1cccc2cc[nH]c12)C1CCC1	1308709856	BVGUIUVQYZKQNJ-AWEZNQCLSA-N	242.366	4.549	0	10	BJAE	
CC(C)CC[C@@H](NCc1ccccc1)C(C)(C)C	1656508205	BZIGYOACNPAPFF-MRXNPFEDSA-N	247.426	4.627	0	10	BJAE	
CCCc1ccc([C@@H](N)C(C)(C)CCC)s1	1900672269	OVARPULJMJEKDL-CYBMUJFWSA-N	239.428	4.527	0	10	BJAE	
CC[C@@H](C)[C@@H](O)CC=C(C)CCCC(C)C	1900906669	VJBVKKJUXHMKAJ-CABCVRRESA-N	226.404	4.556	0	10	BJAE	
CCc1cscc1N[C@H]1C=CCCCCC1	1902380993	IOVAHQRFXBIHET-ZDUSSCGKSA-N	235.396	4.611	0	10	BJAE	
CCCN[C@H](CC(C)C)C[C@@H](CC)CCC	1905434570	LCDUPHHFBRXFLR-LSDHHAIUSA-N	227.436	4.617	0	10	BJAE	
C[C@H]1CCCC[C@H]1C1(CN)CC2(CCCCC2)C1	1912578286	GIAIPSJWZNHNJD-LSDHHAIUSA-N	249.442	4.502	0	10	BJAE	
CCCC=CCNc1cc(Cl)ccc1Cl	1914668384	YVHXPGIQBWQZIH-UHFFFAOYSA-N	244.165	4.762	0	10	BJAE	
CC(C)C[C@@](O)(CCCC1CC1)c1ccccc1	1920034946	CNTMUKIUMLNUKG-KRWDZBQOSA-N	246.394	4.501	0	10	BJAE	
C1CCCC(NC[C@H]2CCCC23CCC3)CCC1	1921600395	DEBZWCVNUOCEDS-OAHLLOKOSA-N	249.442	4.659	0	10	BJAE	
C[C@H](Cn1ccnc1C1CCCCC1)C(C)(C)C	1923607906	LGVSPMQQMTVXHM-CYBMUJFWSA-N	248.414	4.613	0	10	BJAE	
CCC1(C)CC([C@@H](C[C@H]2C=CCCCC2)NC)C1	1925779636	XRCYHHYMIQPJPB-ORBLRFAASA-N	249.442	4.537	0	10	BJAE	
CCN[C@@H](C[C@@H]1C=CCCCC1)C1(C)CC(C)C1	1925809769	MNPLLNSVEFJQAG-GMRIPVOYSA-N	249.442	4.537	0	10	BJAE	
CCc1cc([C@H](O)C(CC)(CC)CC)cs1	1936759975	XPGJWAYZAUKZES-ZDUSSCGKSA-N	240.412	4.560	0	10	BJAE	
Nc1ccc(Cl)cc1-c1sccc1C1CC1	1938184827	XGEXPRJKVVOMPV-UHFFFAOYSA-N	249.766	4.528	0	10	BJAE	
CC(C)(CCC[C@@H]1CC1(C)C)CNC(C)(C)C	1940872168	KDKAYQMJKHHDFB-CYBMUJFWSA-N	239.447	4.617	0	10	BJAE	
CCC[C@@H](C(C)C)[C@H](CCC(C)=C(C)C)NC	1941267286	PYQQGVROUDLHKS-HOTGVXAUSA-N	239.447	4.783	0	10	BJAE	
CCCN[C@H]([C@H](CC)C(C)C)C(C)(CC)CC	1941269264	OCSUPYVUFOFTRL-HUUCEWRRSA-N	241.463	4.863	0	10	BJAE	
CCN[C@H](C[C@H](C)CC(C)C)[C@H](CC)C(C)C	1941271430	DLFSXRXKXIERIF-BZUAXINKSA-N	241.463	4.719	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCCCCC1CC1	1941588237	ZUDQVHXDPBZUNU-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
C[C@H]1CCCC[C@H]1C(=O)CC1CCC=CCC1	1941796473	FMHCPEVVZGNEDE-DZGCQCFKSA-N	234.383	4.518	0	10	BJAE	
CCCN[C@@H](CCC1CCC1)C(C)(C)C(C)C	1944681994	XWBAPQLEGODUEB-HNNXBMFYSA-N	239.447	4.617	0	10	BJAE	
C[C@@H](C[C@@H](O)C[C@@H]1CCC[C@H]1C)CC(C)(C)C	1944835883	GGFXWBAUMZRBOH-LJISPDSOSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H]([C@H]1CCC(C)(C)C1)C(C)(C)CC	1945590161	CAKRNUSLLXEGTF-UONOGXRCSA-N	239.447	4.617	0	10	BJAE	
CC[C@@H](C)C[C@@H](C)NCC(C)(C)C1CCCC1	1946158161	KVSYZGIDVPTWII-ZIAGYGMSSA-N	239.447	4.617	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(N)CCCCCC1CC1	1947459946	DEHMHQOZZMQKBS-HZPDHXFCSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)C[C@]1(N)C[C@H]2CCCC[C@]2(C)C1	1948587633	SUSLNAXFXMDAPJ-OAGGEKHMSA-N	237.431	4.501	0	10	BJAE	
CCN[C@@H](CCCC[C@H]1CC1(C)C)CC(C)C	1948850012	UKKPXEYEBKCZMP-GJZGRUSLSA-N	239.447	4.617	0	10	BJAE	
C[C@H]1CC(C)(C)C[C@](N)(CCCC2(C)CC2)C1	1949052508	BLFVMLFHZKMQBN-BBRMVZONSA-N	237.431	4.501	0	10	BJAE	
CC(C)CCC[C@H](N)c1cccc2sccc12	1949067496	DIRLFDGRXMSLKN-AWEZNQCLSA-N	247.407	4.727	0	10	BJAE	
CCC(C)(C)CCC(=O)[C@H]1CC12CCCCC2	1950603099	XRADMKQFIDSZNG-CYBMUJFWSA-N	236.399	4.742	0	10	BJAE	
CC(C)CC(CC(C)C)N[C@H]1C=CCCCC1	1950618374	HTOZCCPPQBKDQH-HNNXBMFYSA-N	237.431	4.536	0	10	BJAE	
CCC[C@@H](C)C[C@@]1(CN)CCCC(C)(C)CC1	1950920153	SMIRQOJLGXPBKN-GDBMZVCRSA-N	239.447	4.748	0	10	BJAE	
CCC(C)(C)C[C@@H](N)[C@@H]1CCCC(C)(C)CC1	1950924095	XPBMCPYVLDQNCF-ZIAGYGMSSA-N	239.447	4.747	0	10	BJAE	
CC(=CBr)C1CCC(C(C)C)CC1	1953944797	WOCOJWRRDUHYJD-UHFFFAOYSA-N	245.204	4.748	0	10	BJAE	
Cc1ccc(N[C@H]2CCCC3(CCC3)C2)c(C)c1	1968255241	UGHBRIVFMFWGHX-HNNXBMFYSA-N	243.394	4.828	0	10	BJAE	
CCCC[C@H](CCC)N[C@@H]1CC[C@@H]1CC(C)C	1971389335	LJKPTXJALBWZTH-OWCLPIDISA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCC[C@@H](CN[C@@H]2CCC3(CCC3)C2)C1	1971461511	LMCZNJKMXBMQIV-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
C[C@@H](CC1CCCC1)N[C@H](C)C1CC2(CCC2)C1	1974006223	ZQKMWTQQBHYCLB-UONOGXRCSA-N	249.442	4.514	0	10	BJAE	
CCCCCN(CC(C)(C)C(C)C)C(C)C	1978894786	UVHLMZZTOFKNPD-UHFFFAOYSA-N	227.436	4.569	0	10	BJAE	
CC(C)=C(C)CNc1ccc(C(C)C)cc1	1989619295	KTNWDFKVTBAUPF-UHFFFAOYSA-N	217.356	4.578	0	10	BJAE	
CCCCCC(=O)[C@H]1CC[C@H](CCC)CC1	1989780762	YXXVJLUFHYUWDI-HDJSIYSDSA-N	224.388	4.742	0	10	BJAE	
C[C@]1(C(F)(F)F)C[C@H]1C[C@@H]1C=CCCCC1	1992668948	NSOPEPFJEYXOBF-UTUOFQBUSA-N	232.289	4.711	0	10	BJAE	
CCCC[C@H](CC)CN1CC[C@@H](C)C[C@H](C)C1	1995764374	PCOIQESDNYMQMG-PMPSAXMXSA-N	239.447	4.571	0	10	BJAE	
CC[C@H](CC(=O)C[C@@H]1CC[C@@H](C)C1)C(C)(C)C	1996230198	SIMFIEMALRWCRK-MGPQQGTHSA-N	238.415	4.844	0	10	BJAE	
CC[C@](O)(CCC1CC1)C1CCC(C)(C)CC1	1996549971	XBNAZVHGEASBCU-INIZCTEOSA-N	238.415	4.534	0	10	BJAE	
CCCSc1ccccc1NC[C@]1(C)C[C@@H]1C	1996565224	ZDQDGSSEJLVJIX-WFASDCNBSA-N	249.423	4.647	0	10	BJAE	
CCC1([C@H](N)[C@@H]2CCCC(C)(C)C2)CCCC1	2000143803	QPFZYIRPJBFMEW-ZIAGYGMSSA-N	237.431	4.501	0	10	BJAE	
CC1=C[C@@H](C)C[C@H](C(=O)CC2(C)CCCC2)C1	2000182728	SPHCZWVQZRCSPJ-OCCSQVGLSA-N	234.383	4.518	0	10	BJAE	
CCCC1([C@H](NC)[C@@H](C)CCC(C)C)CCC1	2000333695	PMFTVWWOOYQOLB-LSDHHAIUSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@](CC)(CNCC)CC1=CCCC1	2000510292	ODHHECJTIUGHGB-MRXNPFEDSA-N	237.431	4.683	0	10	BJAE	
CCCCCC[C@](C)(N)C[C@H]1[C@H]2CCCC[C@H]21	2002212579	QGKPYIGRQDQIOK-FZKCQIBNSA-N	237.431	4.501	0	10	BJAE	
CCC1CC([C@](N)(CC)CC2CCCCC2)C1	2002342510	ALENYQFYAWAWLA-BCLQGDPASA-N	237.431	4.501	0	10	BJAE	
C/C=C/CCC[C@H](NC)[C@H]1CCC[C@H](CC)C1	2009633702	BHNQITJVWRTNNW-QPSJONLNSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@H](NCC)C(C(C)C)C(C)C	2009634251	FFJPZVBZMKWGPE-LOWQCSRCSA-N	239.447	4.639	0	10	BJAE	
CCCC1CC(N[C@@H]2CCC[C@H](CC)CC2)C1	2009714132	LSXPQYIBFSHBRZ-JWMHWRSXSA-N	237.431	4.514	0	10	BJAE	
CCN[C@H](CCC(C)C)C1=CC[C@@H](CC)CC1	2010711896	DXWOABVFPIAMDO-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CCC[C@H](C(C)C)[C@@H](N)C1=CCC(C)(C)CC1	2010747559	KUHOWRDJBUGMGC-CABCVRRESA-N	237.431	4.523	0	10	BJAE	
CCCN[C@H](CC1=CCC(C)(C)CC1)C(C)C	2010768544	JTBJNIOOTNRZHL-OAHLLOKOSA-N	237.431	4.537	0	10	BJAE	
Cc1scc(C(=O)CC[C@]23CCC[C@@H]2C3)c1C	2011010856	KAACEMDJNGGMPI-DOMZBBRYSA-N	248.391	4.518	0	10	BJAE	
CCC[C@H](C)C[C@@](CC)(CNC(C)C)C(C)C	2012414335	XHVWGHDMEATRHH-HOTGVXAUSA-N	241.463	4.863	0	10	BJAE	
CC[C@](C[C@H](C)CC(C)(C)C)(C(=O)O)C(C)C	2012438984	BURVGELZBJYVHX-IUODEOHRSA-N	242.403	4.586	0	10	BJAE	
CC[C@@H](C)C[C@@](O)(CC)CC12CCC(CC1)C2	2012821032	FMZSSBWJYSSYCC-LMPOIIKSSA-N	238.415	4.534	0	10	BJAE	
CCCCC(=O)Cc1sc2ccccc2c1C	2014304296	QJBXWOJTROBRCK-UHFFFAOYSA-N	246.375	4.512	0	10	BJAE	
C[C@H](N(C)C[C@H](C)C(C)(C)C)C1(C)CCCC1	2014396431	UWVTWIMHHZETND-KBPBESRZSA-N	239.447	4.569	0	10	BJAE	
CCCC1(C[C@](N)(CC)CCC(C)C)CCC1	2015643776	GLOTYXNYDSLAQF-INIZCTEOSA-N	239.447	4.891	0	10	BJAE	
CC(C)=CCC[C@](C)(N)C[C@@H](C)CC(C)(C)C	2016118134	VSNIVGDPMZOQKV-HOCLYGCPSA-N	239.447	4.913	0	10	BJAE	
CC(C)=CCC[C@@](C)(O)C[C@@H]1C=CCCCC1	2016136668	MQIDHWVEXNYPRS-HZPDHXFCSA-N	236.399	4.620	0	10	BJAE	
CC(C)=C(C)CN[C@@H](C)C1CCC(C)(C)CC1	2017468144	DOBMMDRFOBLAKJ-AWEZNQCLSA-N	237.431	4.537	0	10	BJAE	
CC[C@H]1CC[C@H](COc2ccccc2C)CC1	2017777107	YMHLLAYGJAXNFK-SHTZXODSSA-N	232.367	4.590	0	10	BJAE	
CCCCC[C@@H](CC)NC1CC(C2CCC2)C1	2018132192	RTQKSZGEWQMOFJ-HWOWSKLDSA-N	237.431	4.514	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H](C)C1CC(C)(C)C1	2018137870	ZODNDQIDLVVION-ZFWWWQNUSA-N	239.447	4.760	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1N(C)[C@H](C)CC(C)(C)C	2019200047	NKYZSFZBERJOEF-KFWWJZLASA-N	239.447	4.712	0	10	BJAE	
CC[C@@H]1CCC[C@H](N(C)[C@H](C)CC(C)C)CC1	2019298026	RMWUOXPFFCYPGD-OAGGEKHMSA-N	239.447	4.712	0	10	BJAE	
CCCN[C@H](CCCC(C)C)[C@H]1C[C@H]1CCC	2022392100	XQYRPXWVJUUILH-OWCLPIDISA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)N[C@@H]1C[C@@H]1C1CCCCCC1	2022440523	PPAPQQKFFUCJHD-ARFHVFGLSA-N	237.431	4.514	0	10	BJAE	
CCC[C@H](CC(C)C)[C@H](O)C[C@H]1C[C@H]1CCC	2022459763	LATKYCXJXQOGHJ-KLHDSHLOSA-N	240.431	4.636	0	10	BJAE	
CCCN[C@H]1CCC(C)(C)C[C@H]1CC(C)(C)C	2024122664	GELFDAMTASYBMU-KGLIPLIRSA-N	239.447	4.617	0	10	BJAE	
CCCC[C@@H](C)CCC(=O)CC[C@@H]1CC1(F)F	2026074469	MNBQYTJTLDUQKI-VXGBXAGGSA-N	246.341	4.597	0	10	BJAE	
CC1(C[C@]2(N)CCCC23CCCC3)CCCCC1	2027309150	NBXCRGGXJXDBDF-QGZVFWFLSA-N	249.442	4.789	0	10	BJAE	
CC(C)c1ccccc1[C@@H](N)CC1(C)CCCC1	2027517882	LTDXZTGIADUSRA-INIZCTEOSA-N	245.410	4.780	0	10	BJAE	
CC(C)(F)CNc1ccc(-c2ccccc2)cc1	2027727471	AWABIZRLXQZZHQ-UHFFFAOYSA-N	243.325	4.514	0	10	BJAE	
CC(C)CNCC1(CC2CCC=CCC2)CCC1	2028875233	FYTUHVIBDHSRJT-UHFFFAOYSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](CC1CCC=CCC1)[C@@]1(C)CC1(C)C	2028897248	KHEYNKZJJIWGSE-NVXWUHKLSA-N	249.442	4.537	0	10	BJAE	
CC(C)C(Nc1ccccc1C1(C)CC1)C(C)C	2032243790	ZWSZGUJTMQKNNV-UHFFFAOYSA-N	245.410	4.831	0	10	BJAE	
C[C@H]1CCC[C@H](CC2(N)CCC3(CCC3)CC2)C1	2032253790	WEXQEPOHTWAKQQ-GJZGRUSLSA-N	249.442	4.645	0	10	BJAE	
CCCc1ccccc1[C@@H](NC)C(C)(C)C(C)C	2032338168	DARIFBNLALPUPS-MRXNPFEDSA-N	247.426	4.582	0	10	BJAE	
C[C@H]1CCC[C@@H]1CN1CCCCC12CCCCC2	2032670246	YDAXLFZLUGKCLL-JKSUJKDBSA-N	249.442	4.611	0	10	BJAE	
CCCCC1CCC([C@@H](N)C[C@H]2C=CCC2)CC1	2035596409	BQSTVHQMIOBNEM-XGHPGWEVSA-N	249.442	4.667	0	10	BJAE	
CCCC[C@@](CC)(CNC1CC1)C1CC2(CC2)C1	2036178846	UYESQYPMIIXVRB-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
C[C@]12CCCC[C@H]1C[C@H](NCC1CCCCC1)C2	2036666735	QZJJPFDGXREFII-YESZJQIVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCCCC[C@H]1N(C)C[C@@H]1C=CCCCC1	2036778102	CDJMFKPSXNHWFZ-BRWVUGGUSA-N	249.442	4.633	0	10	BJAE	
CC1(C)CCCCC[C@]1(N)C[C@H]1C=CCCCC1	2037271754	KBSOZESXBCEYAY-RDJZCZTQSA-N	249.442	4.811	0	10	BJAE	
CC(C)[C@@H]1[C@H](C)CC[C@@]1(N)C[C@@H]1C=CCCCC1	2037272225	SJCBZKSVEQSENJ-QBPKDAKJSA-N	249.442	4.523	0	10	BJAE	
C[C@@H]1CC[C@@H]([C@@]2(CNC(C)(C)C)CC=CCC2)C1	2037705338	UTVJQWJVDNZWJS-INMHGKMJSA-N	249.442	4.537	0	10	BJAE	
CCCN[C@@H](CCCC=C(C)C)c1ccccc1	2038133111	XHUGSQUELPBDBM-KRWDZBQOSA-N	245.410	4.864	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)CC(C2CC2)C2CC2)CC1	2039373999	JUTUQGYQXJOAIJ-DOMZBBRYSA-N	248.410	4.598	0	10	BJAE	
O[C@@]1(C[C@@H]2C=CCC2)CCCC2(CCCCC2)C1	2040763036	LELOSTZQIKKDMT-NVXWUHKLSA-N	248.410	4.598	0	10	BJAE	
C[C@@]1(CNCC2CCCCCCC2)CC=CCC1	2042072975	VCGATHLRPZNZPE-QGZVFWFLSA-N	249.442	4.683	0	10	BJAE	
C[C@H](CCNC1CC2(CCCCCC2)C1)C1CC1	2046232663	BKLCDEVMWKIYGA-CQSZACIVSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)C1CC(N)(C[C@H]2CC23CCCCC3)C1	2047006260	ZIIQXUUONGJYLP-XOYHFGRZSA-N	249.442	4.501	0	10	BJAE	
CC1(C)CCC[C@H]1C(=O)C[C@H]1CC12CCCCC2	2047060817	AMKVZYNKWCIDMU-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(C[C@@H]2[C@H]3CCC[C@H]32)CC1	2048441273	JUMYDCHGJDYGOF-FIDHJVLJSA-N	249.442	4.501	0	10	BJAE	
CCCC1CCC([C@](C)(N)CC2CC=CC2)CC1	2049486655	JRBIDZLNGNHSIY-BDVYOWHSSA-N	249.442	4.667	0	10	BJAE	
CC[C@H]1CC[C@H]([C@@H](N)C[C@H]2CCC3(CC3)C2)CC1	2049857711	TVKAHZPQGPBBQS-FPCVCCKLSA-N	249.442	4.501	0	10	BJAE	
CC(C)NC[C@@]1(C2CCC2)CCCCC12CCC2	2053362187	VYXKCRPEECEZSS-QGZVFWFLSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@H](N)[C@@H]1CCCCC12CCC2	2053409737	HEHXSPXEDJIONB-LVQVYYBASA-N	249.442	4.501	0	10	BJAE	
CN([C@H]1CCC(C)(C)C1)[C@H]1CCCCC12CCC2	2053434632	VAFIBDGKKSJRAL-GJZGRUSLSA-N	249.442	4.610	0	10	BJAE	
CCC[C@@H]1CCC[C@@H](N[C@@H]2CCCC=C2C)CC1	2055672278	RCLUBVXKCYNOOV-BRWVUGGUSA-N	249.442	4.824	0	10	BJAE	
CC1=C[C@H](N[C@H](C)c2ccc(C(C)C)cc2)CC1	2055841109	KBNYYIAJRBHIIR-RHSMWYFYSA-N	243.394	4.569	0	10	BJAE	
CC1([C@@H](N)CCC2CCCC2)CCC2(CC2)CC1	2056556927	NZQZENKRYZCYHL-HNNXBMFYSA-N	249.442	4.645	0	10	BJAE	
CC(C)[C@@H]1CCC[C@@](N)(C=C2CCCCC2)CC1	2056920003	NJXSVUJTYQYPTD-SJORKVTESA-N	249.442	4.811	0	10	BJAE	
N[C@H](C1CCCCCCC1)C1CC(C2CCC2)C1	2057495090	IFACOXNEXIKLKR-OFLPRAFFSA-N	249.442	4.501	0	10	BJAE	
CCC1CCC([C@@H](NC)C2=CC[C@@H](C)CC2)CC1	2060924904	HLGIWXKXWNRLLV-LYSZQXJVSA-N	249.442	4.537	0	10	BJAE	
CC(C)c1ccc([C@@H](O)C2=CC[C@@H](C)CC2)cc1	2060930123	QFYJSSBGFOAMGT-DYVFJYSZSA-N	244.378	4.590	0	10	BJAE	
C[C@H]1CCC[C@H]([C@@](C)(N)C2=CCC(C)(C)CC2)C1	2061116143	NHCGZPYWFBILSU-QRTARXTBSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@H]1CC=C([C@](C)(N)C2CCCCC2)CC1	2061116340	PFHVBZVRFWMBKW-WMLDXEAASA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCCCC[C@@H]1NCC[C@@]12CCC[C@@H]1C2	2061572931	URTVYGBKGYWUOD-HLLBOEOZSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@H]1C[C@@H]1C(=O)CC1CC(=C2CCC2)C1	2061699139	IUVMPOWMYGPVLG-GJZGRUSLSA-N	246.394	4.518	0	10	BJAE	
CCC(CC)(CC)c1nc2cc(C)c(C)cc2[nH]1	2061871460	SFWHKYOGIFICFW-UHFFFAOYSA-N	244.382	4.648	0	10	BJAE	
Cc1cc(C)cc(NCC23CCC(CC2)CC3)c1	2065299487	BYTOLSZMMUOYAZ-UHFFFAOYSA-N	243.394	4.686	0	10	BJAE	
C[C@H]1C[C@H](CC2CC(C)(F)C2)Nc2ccccc21	2065816969	IWRPFJOKOGCUTF-OPXGVBIBSA-N	247.357	4.503	0	10	BJAE	
Cc1ccc(C(C)C)cc1OC[C@H]1CC12CCC2	2069182126	KJCHWXBEKSMECD-OAHLLOKOSA-N	244.378	4.687	0	10	BJAE	
CCCC1(C[C@@H](N)C2[C@H]3CCCCC[C@H]23)CCC1	2069267964	JFCULKODQSQKKA-SOUVJXGZSA-N	249.442	4.501	0	10	BJAE	
CN[C@@H](CC1CCCCC1)C1(CC2CCC2)CC1	2069564442	RWMMKFDCFWRCIJ-INIZCTEOSA-N	249.442	4.515	0	10	BJAE	
CC[C@H]1CC[C@H](C[C@H](N)C[C@]23CCC[C@@H]2C3)CC1	2072797252	XSLUNTYXHWFGRU-OVYGPGRDSA-N	249.442	4.501	0	10	BJAE	
CCCCC[C@H](CC)N[C@@H]1CCc2ccccc21	2073341576	KZDHWOOICVLANC-DOTOQJQBSA-N	245.410	4.622	0	10	BJAE	
CCCC1(CN2CCC3(CCCCC3)CC2)CC1	2074590074	HWKNXCSSXNCRJU-UHFFFAOYSA-N	249.442	4.613	0	10	BJAE	
CCCC1(C[C@@H](O)[C@@H](CC)c2ccccc2)CC1	2074614716	SBUUMNGKRUXSMU-JKSUJKDBSA-N	246.394	4.512	0	10	BJAE	
CCCC1(C[C@H](NC)C2CC3(CCCC3)C2)CC1	2074643462	FQTZQWBTAZBYBI-HNNXBMFYSA-N	249.442	4.515	0	10	BJAE	
CCN(CCC1CCCCC1)c1ccc(C)cc1	2074890253	YPXACLCSFWXQBA-UHFFFAOYSA-N	245.410	4.792	0	10	BJAE	
C[C@@H]1CCC[C@@H](CN(C)CCC2=CCCCC2)C1	2075145814	LQRRJBLBXQMYSF-NVXWUHKLSA-N	249.442	4.635	0	10	BJAE	
CC(C)(C)NC[C@]1([C@@H]2C=CCCCC2)CC1(C)C	2075362939	NYBPXHOJTOZAHJ-PBHICJAKSA-N	249.442	4.537	0	10	BJAE	
CCC[C@@H]1C[C@@H]1[C@@H](O)c1ccc([C@@H](C)CC)cc1	2079393920	UFFYHQATUIKBIH-IEAZIUSSSA-N	246.394	4.670	0	10	BJAE	
C[C@](N)(CCC1CC1)C[C@@H]1C[C@@H]1C1CCCCC1	2079821012	TWXSFNUDFGRXFI-BBWFWOEESA-N	249.442	4.501	0	10	BJAE	
CC(C)(C)[C@H]1C[C@H]1CC(=O)C12CCC(CC1)CC2	2079865543	OOFCSZNYCUTXLP-CWVKQELPSA-N	248.410	4.598	0	10	BJAE	
C[C@H]1CC[C@H](N[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1	2081140172	HUPDZISWWMVDCL-SMLCLMEVSA-N	249.442	4.514	0	10	BJAE	
CCc1ccccc1[C@H](C)N[C@H](C)C[C@H](C)CC	2081209805	URPXOSBFHYVSNO-KFWWJZLASA-N	247.426	4.724	0	10	BJAE	
C[C@H]([C@@H](N)c1cccc(C(C)(C)C)c1)C(C)(C)C	2083540866	DMQPMRCUONOAHH-IUODEOHRSA-N	247.426	4.666	0	10	BJAE	
CCCC(CCC)[C@@H](N)CCCCC1CC1	2211122408	XEHVALBAYJUYIW-HNNXBMFYSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](C)CCC(=O)C[C@H]1CC[C@H]1C	2211440574	VLNYEKZWKMLRIK-BFHYXJOUSA-N	224.388	4.598	0	10	BJAE	
CC[C@H]1C[C@@H]1CCC(=O)C(CC)(CC)CC	2211594984	QDSGITGFZZQKPP-STQMWFEESA-N	224.388	4.598	0	10	BJAE	
CC1=CC[C@](C)(C(=O)CCC(C)(C)C)CC1	2211855768	GRVULSNYPMFTDC-HNNXBMFYSA-N	222.372	4.518	0	10	BJAE	
Cc1ccn([C@H]2CCC[C@@H](C(C)(C)C)C2)c1	2212101183	RPXVKVAQHDCIQS-KGLIPLIRSA-N	219.372	4.574	0	10	BJAE	
CC[C@@H](C[C@H](O)CCCCC1CC1)C(C)(C)C	2214565400	MPWNAHBPBLANLW-LSDHHAIUSA-N	240.431	4.780	0	10	BJAE	
CCCCCC1CC(N)(CC[C@@H]2C[C@H]2CC)C1	2215257957	XCSJXDAKYBSRQP-LVDPKSTMSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@H](O)CC1(C)CC(C)(C)C1	2215378661	PTPGCDGUSDOOGT-CYBMUJFWSA-N	240.431	4.780	0	10	BJAE	
CCN[C@@H](CC(C)(C)C)CC1(C)CC(C)(C)C1	2215397873	HGANFJVDVISGCZ-ZDUSSCGKSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCN(C)[C@@H]1CCC[C@@H](C(C)(C)C)C1	2216248393	WUFYKFASUWHDJQ-HUUCEWRRSA-N	239.447	4.569	0	10	BJAE	
CCCC[C@H](CC)C[C@@H](CCCC(F)F)NC	2216408201	NVQHJZOLKIXIRD-QWHCGFSZSA-N	249.389	4.616	0	10	BJAE	
CCC[C@@H]1C[C@@H]1NCCCCCCCC1CC1	2216884529	WFIFCBXNFNNRCO-CVEARBPZSA-N	237.431	4.515	0	10	BJAE	
CCC[C@H](CN[C@@H](C)CC)C1CCCCCC1	2217151095	RPYYSEUVWWXHDY-GOEBONIOSA-N	239.447	4.761	0	10	BJAE	
N[C@@H](CCCC1CCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1	2218347077	VUZKPGPVMVMXDV-HZMVEIRTSA-N	249.442	4.501	0	10	BJAE	
O=C(CCCCCCC1CC1)[C@]12CCCC[C@@H]1C2	2218732353	QTBYRBLYNBPPDR-WBVHZDCISA-N	248.410	4.886	0	10	BJAE	
CC[C@@H]1C[C@@H]1CCC1(N)C[C@@H]2CCCCC[C@H]2C1	2220872362	CIWURBKPJIVZMW-UGUYLWEFSA-N	249.442	4.501	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1CNC1(C)CC2(CCC2)C1	2220975967	UURKGRNNOWRKRL-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@H](C[C@H](N)C2(C)CC3(CCC3)C2)C1	2221004458	FYEUAIHWMKVFHD-ILXRZTDVSA-N	249.442	4.501	0	10	BJAE	
C(CCCN[C@@H]1C[C@H]1C1CCC1)CCCC1CC1	2223157481	DUFCCGQWZDNTMC-DLBZAZTESA-N	249.442	4.515	0	10	BJAE	
Cc1sc(C)c([C@@H](O)CCCC(C)C)c1C	2243609030	FBBGMDUDLIGKCT-ZDUSSCGKSA-N	240.412	4.533	0	10	BJAE	
CC[C@H](CCN)CC[C@H](C)CCCC(C)C	2244868941	TUTUPKNEGOREDT-CABCVRRESA-N	227.436	4.604	0	10	BJAE	
CC(C)=CCCC1C2CC3CC(C2)CC1C3	2245913166	NECLXCKUXPKDLL-UHFFFAOYSA-N	218.384	4.805	0	10	BJAE	
CCC[C@@](O)(CC)CC[C@H]1CCCCC12CC2	2246641259	DGGKCTAPSXCRDY-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
C[C@@H]1CCC[C@H](CCCC2(CO)CCCC2)C1	2246726556	KMBHSTLITZDYSU-HUUCEWRRSA-N	238.415	4.536	0	10	BJAE	
CCCCC1CC(O)(CCCC[C@@H]2C[C@H]2C)C1	2247123615	XSCTZHOCJDSJFA-YHNBSYBMSA-N	238.415	4.534	0	10	BJAE	
CCCCC[C@](C)(N)CC[C@H]1CCCC12CC2	2247583817	NJTDLUUHCBYLET-CABCVRRESA-N	237.431	4.645	0	10	BJAE	
CC[C@H](C)[C@@H](NC)c1cc(C)c2sccc2c1	2248578989	PDICACWJGLUTOR-IINYFYTJSA-N	247.407	4.516	0	10	BJAE	
C[C@@H]1C[C@@H]1CCCCC[C@@]1(N)CCCC1(C)C	2248813444	FHSCCOZSPRMNII-IJEWVQPXSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)CN(C)CCCCC[C@H]1C[C@H]1C	2248849213	BRFOXNHQBVNSPW-XHSDSOJGSA-N	239.447	4.571	0	10	BJAE	
CCC[C@H](CC)[C@H](CC1(C)CC(C)C1)NCC	2250351875	HNQIBBUOAFAION-PYBGIAKNSA-N	239.447	4.617	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)CC(C)(C)C	2250468566	FIMOYRZWZUEFLR-GJZGRUSLSA-N	241.463	4.993	0	10	BJAE	
CC(C)CCC[C@H](C)CCNC1CCCCC1	2250488304	LHLNQTGZDNTFAH-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCC(CC)CNCC[C@@H](C)CCCC(C)C	2250492759	XKJLSTOJIJOXFV-HNNXBMFYSA-N	241.463	4.865	0	10	BJAE	
CCCN(CC[C@H](C)CCCC(C)C)C1CC1	2250528146	MABXRLWOVXWHOS-OAHLLOKOSA-N	239.447	4.713	0	10	BJAE	
CC1(C)CCC(C)(C)[C@](N)(C2CCCCC2)C1	2251663728	DSXCVTHCDSYVRL-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
Cc1sc(-c2cccc(F)c2)nc1C1CCC1	2252747339	WURDJTRVHNFSKF-UHFFFAOYSA-N	247.338	4.525	0	10	BJAE	
CC(C)CC[C@@](C)(N)c1ccc2ccsc2c1	2253126186	GQXIZQOLSZDWTM-OAHLLOKOSA-N	247.407	4.511	0	10	BJAE	
CC[C@H]1C[C@@H]1CC(=O)c1ccc2ccsc2c1	2253130895	VZZWBPHGQUIBAK-GXFFZTMASA-N	244.359	4.520	0	10	BJAE	
CCCN(CC[C@@H]1CCCCC12CC2)C1CCC1	2253845217	YVZDBCHRHTVKAR-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@](N)(CC[C@@H]1CCCCC12CC2)CC1CCC1	2253849732	CVRXJQKMVGZCES-HOTGVXAUSA-N	249.442	4.645	0	10	BJAE	
CCCN[C@H]1CCCC[C@H](CC2=CCCCC2)C1	2255097601	UTYGOOCPIZOZKL-SJORKVTESA-N	249.442	4.825	0	10	BJAE	
CCC[C@@H](CC)[C@H](N)c1ccccc1C1(C)CC1	2259434549	CRGINCBSBOCKEB-CJNGLKHVSA-N	245.410	4.564	0	10	BJAE	
CCC[C@H]1CCC[C@](N)(CC[C@@H]2C[C@@H]2C)CC1	2298127011	MJFSLLHDGHZQSK-CAOSSQGBSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@@H](N)C1(C)CCCCCC1	2300698594	AZSNGCSFHJBPAM-OAHLLOKOSA-N	239.447	4.891	0	10	BJAE	
CCC(CC)CC[C@]1(N)CCCCC12CCC2	2300706514	QPRBIWJDGJIKQI-MRXNPFEDSA-N	237.431	4.645	0	10	BJAE	
CCN[C@@H](CC=C(C)CC)[C@H]1CCC(C)(C)C1	2300882949	ZDSRIGORTXYNAC-GJZGRUSLSA-N	237.431	4.537	0	10	BJAE	
CCC[C@](N)(CC)C[C@@H]1C[C@H]2CCC[C@H]1CC2	2301140401	OQTQMBIKTUOZSF-YHUYYLMFSA-N	237.431	4.501	0	10	BJAE	
Cc1cc(NC[C@@H]2C[C@H]3CCC[C@H]2CC3)cs1	2301143998	ZFUGGLJFLCSCJX-IHRRRGAJSA-N	249.423	4.685	0	10	BJAE	
CCCN[C@H](C(CC)CC)[C@@H](C)[C@H](C)C(C)C	2301827312	AIJWGWVVPPBXEC-YCPHGPKFSA-N	241.463	4.719	0	10	BJAE	
CCCC1(C[C@@H](N)CCC2=CCCCC2)CC1	2301898577	ANFXYAXPIGVNER-HNNXBMFYSA-N	235.415	4.565	0	10	BJAE	
CC1(CCC[C@H](O)CCC2=CCCCC2)CC1	2301937540	FVJPYWJVXKEVMQ-HNNXBMFYSA-N	236.399	4.598	0	10	BJAE	
CCc1cc(N[C@H](C)[C@H](C)C(C)C)ccc1C	2301960273	AFNHCFBGMHPOHZ-ZIAGYGMSSA-N	233.399	4.650	0	10	BJAE	
CCC(CC)N(CC(C)C)[C@@H](C)[C@H](C)C(C)C	2301968518	RKRHGEJQBBYWLL-CABCVRRESA-N	241.463	4.814	0	10	BJAE	
CC1(C)CC(C)(C[C@@H](N)CCCCC2CC2)C1	2302578283	YEHVDKJHAYWTAC-AWEZNQCLSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)(CC)[C@@H](O)C[C@H]1CCC(C)(C)C1	2302709114	FIWRDMQMCIGZFE-KGLIPLIRSA-N	240.431	4.780	0	10	BJAE	
C[C@@H]1CCCC[C@H]1C(=O)C[C@H]1CCC(C)(C)C1	2302753066	KDRJDPYYXCNDSO-MGPQQGTHSA-N	236.399	4.598	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@H]1C(=O)CCC1CCCC1	2303441929	CJBRSDIUHVMBRI-ZIAGYGMSSA-N	236.399	4.598	0	10	BJAE	
CCCC(CCC)Nc1cc(F)cc(CC)c1	2304016581	OFEXBYUSTQYNTF-UHFFFAOYSA-N	237.362	4.769	0	10	BJAE	
CC1(C)CC[C@H](CCCC2(O)CC(C)(C)C2)C1	2304395398	BDHGEWIKSRRFCT-ZDUSSCGKSA-N	238.415	4.534	0	10	BJAE	
CCCC[C@H](C)[C@H](N)CC[C@H]1CCC(C)(C)C1	2304436585	MQIFPIIGGYPMKY-SOUVJXGZSA-N	239.447	4.747	0	10	BJAE	
CC(C)c1cccc(N[C@H](C)C2(C)CC2)c1F	2307573362	DEKHNWFIIPTKNP-LLVKDONJSA-N	235.346	4.550	0	10	BJAE	
C[C@H]1CCC[C@@H]([C@H](N)C[C@@]23CCCC[C@@H]2CC3)C1	2313349149	SUIAPRHNISGINZ-UTSKFRMZSA-N	249.442	4.501	0	10	BJAE	
C[C@H](CC1CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2313628272	FKJOCPPHFGCHAS-SYAUCNOPSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCC[C@H](C[C@@H]2CCC3(CCCC3)C2)N1	2315472046	DDJSAYYHVINAHG-ARFHVFGLSA-N	249.442	4.658	0	10	BJAE	
CCC(C)=CC[C@@]1(CNC(C)C)C[C@H]2CC[C@H]1C2	2316491481	OEBCGMKIZYNGBE-ULQDDVLXSA-N	249.442	4.537	0	10	BJAE	
NCC[C@@H]1CCCC(=CCCC2=CCCCC2)C1	2318550989	LMPJRDBFDAGBRQ-KRWDZBQOSA-N	247.426	4.732	0	10	BJAE	
CC[C@H](C1CCC1)N(C)CCCC1=CCCCC1	2318589284	OVUVSLHNQVPXAJ-QGZVFWFLSA-N	249.442	4.778	0	10	BJAE	
N[C@@H]1CCCC[C@@H]1CC[C@H]1C[C@H]1C1CCCCC1	2318797394	UJEUKAVBMSTZSM-LTIDMASMSA-N	249.442	4.501	0	10	BJAE	
CN[C@H](CCC[C@H]1C[C@H]1C)C1=CCC(C)(C)CC1	2318937242	XNCUDKTYFWLNFC-VNQPRFMTSA-N	249.442	4.537	0	10	BJAE	
CC1(C)CC[C@@H](C[C@H]2CNC3(CCCCC3)C2)C1	2319136949	XOMGSPIQGIQYKH-LSDHHAIUSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)[C@@H]1CC[C@@H]1NC[C@H]1CCC=CCCC1	2320146070	GKGUBFHTOSAHNV-XHSDSOJGSA-N	249.442	4.537	0	10	BJAE	
Cc1cc(F)cc(NC[C@H]2CC[C@@H]2C(C)(C)C)c1	2320320812	SBYMIYUWRMIZDX-DOMZBBRYSA-N	249.373	4.618	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@@H](N)C2CCCCCC2)CC1	2320336051	YATWCXBDJAIDJM-DOTOQJQBSA-N	249.442	4.811	0	10	BJAE	
CCCN[C@H](C)c1ccc(C2CC(C)(C)C2)cc1	2321030901	VFYXSEJMAIHRRY-CYBMUJFWSA-N	245.410	4.651	0	10	BJAE	
CCNCC1([C@@H]2CCC[C@@H](C)C2)CCC=CCC1	2326702738	UJCCJNCHWHZCBR-HZPDHXFCSA-N	249.442	4.539	0	10	BJAE	
CCC[C@H](CC)C[C@@H](N)c1ccc([C@H]2C[C@@H]2C)o1	2328278417	QDUDKSGSKDTVCW-XDQVBPFNSA-N	249.398	4.619	0	10	BJAE	
CCC[C@H](CC)C[C@@]1(CNC2CCC2)C=CCC1	2328306583	LWHCVULVUZMPHI-DOTOQJQBSA-N	249.442	4.681	0	10	BJAE	
CC[C@@H](C[C@H](C)CC)NCCC1=CCCCC1	21802492	SRDXZXJTRSSALJ-ZBFHGGJFSA-N	237.431	4.681	0	10	BJAE	
CCN[C@H](c1ccc([C@H](C)CC)cc1)[C@@H](C)CC	35544223	QJMJSCNEIIAORW-KEYYUXOJSA-N	247.426	4.897	0	10	BJAE	
Cc1cccc(N[C@H](c2ccccc2)C(C)C)c1	37185445	HMWARBGBCSFOAK-KRWDZBQOSA-N	239.362	4.804	0	10	BJAE	
CC(C)C[C@@H]1CC(=O)c2cc(C(C)C)ccc21	41256531	OBUBYYIUBGQLGY-CYBMUJFWSA-N	230.351	4.526	0	10	BJAE	
CCCC[C@@H](CC)N[C@@H](C)c1cc(C)oc1C	69378622	XACBXNGXBPCNPD-GXTWGEPZSA-N	237.387	4.516	0	10	BJAE	
CCCc1ccccc1N[C@H]1CC[C@@H](CC)C1	80445178	DJGZROQJJZONOJ-HIFRSBDPSA-N	231.383	4.630	0	10	BJAE	
CCCC[C@H](CC)N[C@@H]1CCCCC[C@@H]1C	83948714	JFMZVALJBHDMKS-SOUVJXGZSA-N	225.420	4.514	0	10	BJAE	
CC(C)(C)CC[C@H](O)c1csc2ccccc12	87179297	RKEZTWTYSXWIQH-ZDUSSCGKSA-N	248.391	4.761	0	10	BJAE	
C1CCCC(NCC2CCCCCC2)CCC1	89556928	HZEPARPESAHBDP-UHFFFAOYSA-N	237.431	4.659	0	10	BJAE	
CC1(C(=O)c2ccc(C3CCC3)cc2)CCCC1	125592926	CRRZKOQTJYGAOP-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CCC[C@H](C)C(=O)c1ccc(C(C)(C)C)s1	165326982	PNGLLUCNEQKAQF-JTQLQIEISA-N	238.396	4.665	0	10	BJAE	
CC(C)(C)c1cc(Cl)c(N)c(C(C)(C)C)c1	196497896	VFXCLHCOKQTJHQ-UHFFFAOYSA-N	239.790	4.517	0	10	BJAE	
Cc1cc(F)ccc1N[C@@H]1CCCC[C@@H]1C(C)C	214438864	UPCINBTUUBKGBY-GDBMZVCRSA-N	249.373	4.761	0	10	BJAE	
CCCCCC[C@H](O)c1cc(C)c(Cl)s1	226684173	YLYIGPNSWRXEIO-JTQLQIEISA-N	246.803	4.714	0	10	BJAE	
CC[C@@H](C)c1ccc(Oc2ccnc(F)c2)cc1	232341676	QLNQXFFCWLZVGZ-LLVKDONJSA-N	245.297	4.527	0	10	BJAE	
CCCCCC[C@H](NCC)c1ccc(Cl)o1	232953783	OAWXOJMDLQZBDY-NSHDSACASA-N	243.778	4.554	0	10	BJAE	
C[C@H]1[C@H](C)CC[C@H]1Nc1ccc2ccccc2c1	252166568	QNRFIHJIJCXVOQ-IIYDPXPESA-N	239.362	4.686	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1[C@H](CCC(C)(C)C)NC	302244989	AEVJKRKNVQLMLH-KFWWJZLASA-N	239.447	4.617	0	10	BJAE	
CCCC[C@H](C)[C@H](N)c1ccc(C(C)(C)C)cc1	302484949	ZBKXLZOIKQHTEG-BBRMVZONSA-N	247.426	4.810	0	10	BJAE	
CCCC(CCC)C(=O)C[C@H]1CCC(F)(F)C1	304175812	JQXKGCYIPBQHMO-LLVKDONJSA-N	246.341	4.597	0	10	BJAE	
CCC[C@@H]1CC[C@H](O)[C@@H](CCC2CCCC2)C1	305950010	MTUUVDNDOUPRMU-PMPSAXMXSA-N	238.415	4.534	0	10	BJAE	
Cc1cc(Cl)c2cc(Cl)sc2c1	306917346	YYCYFNGVGOHJNM-UHFFFAOYSA-N	217.120	4.517	0	10	BJAE	
Cc1c(Cl)sc2cc(C(F)F)ccc12	307353676	OXJDSXWHEZNEPB-UHFFFAOYSA-N	232.682	4.801	0	10	BJAE	
Cc1ccc([C@@H](O)C[C@H](C)C2CCCCC2)cc1	310901371	WIDKHBLYQVXHRB-YOEHRIQHSA-N	246.394	4.635	0	10	BJAE	
CCCN[C@@H](c1cc(C)oc1C)C1(CCC)CC1	310948893	QOIJCKRDKMWNBI-HNNXBMFYSA-N	249.398	4.517	0	10	BJAE	
CCC1(CC(=O)c2cc3ccccc3o2)CCC1	310991520	SODNTIWNVIJHEW-UHFFFAOYSA-N	242.318	4.586	0	10	BJAE	
CCC[C@@H](Nc1ccc(F)cc1)C1CCCC1	313384795	GNVIGHSXICVJDA-OAHLLOKOSA-N	235.346	4.597	0	10	BJAE	
CC(C)NCC1(CC2CCC2)CCCCCC1	319246773	XSEMSFONZOIFNF-UHFFFAOYSA-N	237.431	4.515	0	10	BJAE	
CC(C)(C(=O)CCC1CCCCC1)C1CCC1	322934301	LBTUUJLYOFCYTG-UHFFFAOYSA-N	236.399	4.742	0	10	BJAE	
CC1(CCN[C@H]2CCC[C@H](C3CC3)C2)CCCC1	381265823	QIXPMNBBUNOYJM-HOTGVXAUSA-N	249.442	4.515	0	10	BJAE	
CCCN[C@H](CC)[C@H](C)C[C@H]1CCC[C@H](C)C1	383757197	DDOGLLSTTKVQPA-XUWVNRHRSA-N	239.447	4.617	0	10	BJAE	
Cc1ccc([C@@H](C)N[C@@H](C)CC(C)(C)C)s1	384678352	ZWXYGJASSVURNW-CMPLNLGQSA-N	239.428	4.532	0	10	BJAE	
CC(C)[C@]1(CCC2=CCCCC2)CCCCCN1	385159337	LDEPJBHXRYAZCN-QGZVFWFLSA-N	249.442	4.825	0	10	BJAE	
CC(C)CC(C)(C)CNC1CCCCCCC1	391162460	BXVWSWZUNVHLNJ-UHFFFAOYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@@H](c1ccccc1C)[C@H](C)C(C)(C)C	399179643	RIIAMEZUQWMPCV-GOEBONIOSA-N	247.426	4.718	0	10	BJAE	
C1=C(Cc2ccccc2C2CCC2)CCC1	401061065	FMYNGNPZKOBARW-UHFFFAOYSA-N	212.336	4.607	0	10	BJAE	
CCCC[C@H](CC)C(=O)c1coc2ccccc12	404346441	VMGPVZIGDNETDK-LBPRGKRZSA-N	244.334	4.832	0	10	BJAE	
CC(C)(CC[C@]1(C2CC2)CCCCCN1)C1CC1	405947165	CTZJYLVZVRNRKD-KRWDZBQOSA-N	249.442	4.515	0	10	BJAE	
CC(C)C[C@H]1CCC/C(=C\Br)C1	606288166	MQFRIABZHVWWKP-MXBGMFSPSA-N	231.177	4.502	0	10	BJAE	
CCCN[C@@H](CCCC1CCC1)C[C@@H](C)CC	688376217	YDBOBPLOQIPFKL-HOCLYGCPSA-N	239.447	4.761	0	10	BJAE	
C[C@H]1CCC[C@@H](CNc2cccc(C3CC3)c2)C1	690076929	VHUYOVJYQFKECS-UONOGXRCSA-N	243.394	4.802	0	10	BJAE	
CCN[C@H](C1CCCCCC1)[C@@]12CCCC[C@@H]1C2	693186318	VCUNRYWVOYQDAC-BRWVUGGUSA-N	249.442	4.515	0	10	BJAE	
CC[C@H](N[C@@H]1CCC12CCCCC2)[C@H]1CC1(C)C	693813665	JRYHFWXLCRQJAV-QLFBSQMISA-N	249.442	4.514	0	10	BJAE	
CCC(C)(C)CC[C@](CC)(CO)c1ccccc1	696802371	KKLPUCIXVGHIPS-QGZVFWFLSA-N	248.410	4.543	0	10	BJAE	
CC[C@@H]1CCCC[C@@]1(N)CCC(C)(C)CC	696804996	DCQOIUQWEQMGMG-UKRRQHHQSA-N	225.420	4.501	0	10	BJAE	
CCCC[C@H](CC)[C@H](NC)[C@H]1CCCC[C@@H]1C	704843121	CQXRSYIXAKHWTK-VGWMRTNUSA-N	239.447	4.617	0	10	BJAE	
CC1(C)CC(C(=O)c2ccccc2C2CCC2)C1	706092569	MJPKOHFOJUGNNH-UHFFFAOYSA-N	242.362	4.573	0	10	BJAE	
C[C@@H](CC(C)(C)C)[C@H](N)C[C@H]1CCC[C@@H](C)C1	708317379	XVGQYOVSPNTWIM-CBBWQLFWSA-N	239.447	4.602	0	10	BJAE	
CCc1ccccc1[C@H](NC)[C@@H](C)CC(C)(C)C	708318275	WJQFJVXNGFYYCD-XJKSGUPXSA-N	247.426	4.582	0	10	BJAE	
CC(C)c1cc(Cl)c2cc(C3CC3)ccc2n1	709831247	MXYNPHXDLPZKEC-UHFFFAOYSA-N	245.753	4.889	0	10	BJAE	
CCC(CC)(CC)[C@H](O)C[C@H](C)C(C)(C)C	710752483	UFOVUBPQQIYERZ-QWHCGFSZSA-N	228.420	4.636	0	10	BJAE	
C[C@H](C[C@H](O)c1csc(Cl)c1)C(C)(C)C	710773530	OQDCARWZVLDPDE-SCZZXKLOSA-N	246.803	4.507	0	10	BJAE	
CC[C@H]1CC[C@H](C(=O)CC[C@H]2C[C@H]2C2CC2)CC1	714893687	HOLRANDVVQWODF-TUUVXOQKSA-N	248.410	4.598	0	10	BJAE	
CC(C)=C(C)CC[C@@H](C)[C@H](C)CNCC(C)C	718492072	HCHVWFVCCHVKPS-HZPDHXFCSA-N	239.447	4.641	0	10	BJAE	
CCCN[C@H](CCCC(C)(F)F)C[C@H](C)CC	718686194	MYRAZCAJPCOUMY-CHWSQXEVSA-N	249.389	4.616	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@@H]1CCCCC1(C)C	718723313	PGGJQBFCXKSWCG-AWEZNQCLSA-N	236.399	4.908	0	10	BJAE	
Cc1sc(C)c(C(=O)CCC(C)(C)C)c1C	722491876	ITZAZOQSOJUOGC-UHFFFAOYSA-N	238.396	4.682	0	10	BJAE	
C[C@@H]1CCCCC[C@@H]1N[C@H](C1CCCC1)C1CC1	723995866	RLRJHOCZRAUBSG-XOKHGSTOSA-N	249.442	4.514	0	10	BJAE	
CCCCC[C@H](CCCC)O[C@H]1CCCCO1	888084900	LVTOCUCQTUTNHU-GJZGRUSLSA-N	242.403	4.669	0	10	BJAE	
CCC[C@H](CC)SCCC(F)=C(F)F	1473025492	CNJABSZQJSNEFV-QMMMGPOBSA-N	226.307	4.766	0	10	BJAE	
CC(C)CSCc1cc(Cl)cc(Cl)c1	1651589268	FLGFNVNLNLQXEP-UHFFFAOYSA-N	249.206	4.883	0	10	BJAE	
CC[C@@H]1CCC[C@H](C)N1CC1CCCCCC1	1654306952	BIEXZKYSZSSTLH-GOEBONIOSA-N	237.431	4.610	0	10	BJAE	
CCCCCCc1csc([C@H](C)NCC)c1	1901875153	JJQSWLLRGUOIGO-LBPRGKRZSA-N	239.428	4.541	0	10	BJAE	
CC(C)CCCc1cccc(C(F)F)c1F	1901884944	OKXXRSQQDHQJPJ-UHFFFAOYSA-N	230.273	4.742	0	10	BJAE	
CCCC[C@@H](C)c1nc([C@@H]2CC2(C)C)cs1	1901913421	ZLWXPCSSAHKUAN-MNOVXSKESA-N	237.412	4.950	0	10	BJAE	
CCC[C@@H](CC)CC(=O)C(C)(C)C1CCC1	1905452141	YMNAYBCQDLDVCP-GFCCVEGCSA-N	224.388	4.598	0	10	BJAE	
CC=CC[C@]1(CNC(C)(C)C)CCC[C@@H](C)C1	1912087859	FFLNNIWVNUGWOW-ZBFHGGJFSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)[C@H]1CCCCCCCCC1=O	1913387733	AGRQPURCNBJCCO-HUUCEWRRSA-N	238.415	4.988	0	10	BJAE	
CCC[C@H](C)C[C@H]1CCCCCCCC[C@H]1O	1913406202	XPPVPSLAHLGGLP-ARFHVFGLSA-N	240.431	4.924	0	10	BJAE	
CN[C@@H]1C[C@@H](C)CC[C@@H]1CCCCCC(C)C	1916009204	GHIJTKJAVDUFCN-HRCADAONSA-N	239.447	4.617	0	10	BJAE	
C[C@@H]1Cc2nc3ccccc3c(Cl)c2[C@@H](C)C1	1916087458	RUWFEICBZFYRNV-UWVGGRQHSA-N	245.753	4.574	0	10	BJAE	
CCc1ccc([C@](O)(CC)[C@@H](C)[C@@H](C)CC)cc1	1920043482	MZBCLKRCEABGID-ZQIUZPCESA-N	248.410	4.529	0	10	BJAE	
C[C@@](CO)(CCC1CCCCC1)C1CCCC1	1923909601	RLMFGWGMSNBJJY-INIZCTEOSA-N	238.415	4.536	0	10	BJAE	
CCCC[C@@H](CC)C[C@@](C)(CN)C1CCCC1	1924073724	XKAMFXXFKFRCHD-ZBFHGGJFSA-N	239.447	4.748	0	10	BJAE	
C[C@H](CNC[C@H]1C=CCCCC1)C1CCCCC1	1925818956	FVAPOFKDOVDVGX-CVEARBPZSA-N	249.442	4.539	0	10	BJAE	
CCCC[C@H](C)[C@H](C[C@@H]1C=CCCCC1)NC	1925900470	GRPXNVYOJAHNHF-XHSDSOJGSA-N	237.431	4.537	0	10	BJAE	
CCC(CC)CCNCC[C@@H]1CCC[C@H](C)C1	1926159491	LOSJMUIDPNVNOH-HOCLYGCPSA-N	239.447	4.619	0	10	BJAE	
CCCN[C@H](CCC=C(C)C)CCC1(C)CC1	1940789397	BPPLZDDJRVDYBV-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCC1CCC(C(=O)CC[C@@H]2CC2(C)C)CC1	1940852677	HUWMNXQAQHPVRM-JXQTWKCFSA-N	236.399	4.598	0	10	BJAE	
CCCC[C@H](CC)C[C@]1(CO)CC=CC[C@H]1C	1940957112	PXXSZUWLUSKVSQ-PMPSAXMXSA-N	238.415	4.558	0	10	BJAE	
Cc1cc(N[C@H]2CC[C@@H]3CC[C@@H]32)cc(C)c1Cl	1941023992	HMNOOJGHUUARBQ-UBHSHLNASA-N	249.785	4.557	0	10	BJAE	
CCCN[C@@H]([C@H](CC(C)C)C(C)C)C(C)(C)C	1941266493	GIMHBCNSBXFYBF-CABCVRRESA-N	241.463	4.719	0	10	BJAE	
C[C@@H]1CCC[C@@H](NCCCCCC2CC2)CC1	1941581761	ODAUOCZTHWOGLF-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC(C)CC[C@H](C)[C@@]1(O)CCCC[C@@H]1C(C)C	1942660257	KKXZMJWPPDYNKR-XHSDSOJGSA-N	240.431	4.636	0	10	BJAE	
CC[C@@H]1CCCCC[C@@H]1NC(C(C)C)C(C)C	1942787036	FAMDBIZGXCFYQX-CABCVRRESA-N	239.447	4.616	0	10	BJAE	
CC(C)[C@H]1CCC[C@]1(N)C[C@H](C)CC(C)(C)C	1947465821	WKFVGTCVDVFNMW-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CCC[C@@H](C)C[C@@H](NCC)C1CC(C)(CC)C1	1948406736	DVLRUPPBVZDKMP-YHNBSYBMSA-N	239.447	4.617	0	10	BJAE	
CCC1(C)CC([C@H](O)CCCCCC(C)C)C1	1948411589	SOEUFUSWIMFMFZ-HWOWSKLDSA-N	240.431	4.780	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1[C@H](N)CC1(C)CCCC1	1948982158	KRFCNBCFAPBNPU-QLFBSQMISA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CC[C@@]1(N)CCC2(CCCC2)C1	1949048884	XHLLCFUNTJGIFK-MRXNPFEDSA-N	235.415	4.565	0	10	BJAE	
CC(C)CCC[C@H](N)[C@H]1CCC2(CCCC2)C1	1949552261	QASYHUASTCVVSI-GJZGRUSLSA-N	237.431	4.501	0	10	BJAE	
CC(C)=C(C)CCC(=O)[C@H]1CC12CCCCC2	1950604673	MKMZTQMFBIZBJV-CQSZACIVSA-N	234.383	4.662	0	10	BJAE	
CCCC[C@H](CCC)NC[C@H]1CC12CCCC2	1950667148	CDEWUKOAZYGLSK-CABCVRRESA-N	237.431	4.515	0	10	BJAE	
CC=CCCc1ccc(OCC)c(C(C)(C)C)c1	1951309391	ZCAHTZPTOAZXGF-UHFFFAOYSA-N	246.394	4.892	0	10	BJAE	
CC[C@H](C)N(Cc1ccccc1)CC(C)(C)CC	1953230810	LYMLHVPTQHAYGD-HNNXBMFYSA-N	247.426	4.723	0	10	BJAE	
CCCCC[C@H](NCC)c1cc(Cl)cs1	1958192890	PCIWDTDEFJXTLX-NSHDSACASA-N	245.819	4.632	0	10	BJAE	
C[C@@H](NC[C@@H]1CCCCC12CCC2)C1CCCC1	1967863972	AMTHPOKOAPDECG-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
Cc1ccc(Cl)c(NC[C@H]2CCC3(CC3)C2)c1	1968528068	LSOQXXYKIMVQDF-LBPRGKRZSA-N	249.785	4.641	0	10	BJAE	
CCC1CCC(CNc2ccc(F)c(C)c2)CC1	1968591770	NOSHGZAVBAMJDV-UHFFFAOYSA-N	249.373	4.762	0	10	BJAE	
CCC1(CC)CC(N[C@H](C)c2cccc(C)c2)C1	1969835981	BSUNCDBNEHUMIB-CQSZACIVSA-N	245.410	4.614	0	10	BJAE	
C[C@H](CC1CCCC1)NC1CC2(CCCCC2)C1	1972429150	XLZGSFGWDLQVTC-CQSZACIVSA-N	249.442	4.658	0	10	BJAE	
CCCc1nc([C@H]2CCCC(C)(C)C2)cs1	1980285468	HESFJGLZCFLRLE-NSHDSACASA-N	237.412	4.779	0	10	BJAE	
CCCCCC[C@H]1CCC(C)(C)CC[C@@H]1N	1984461645	GHRRKQHWIGXURL-KBPBESRZSA-N	225.420	4.501	0	10	BJAE	
CC=CCCC[C@H](NCCC)C(C)(C)CC	1984618699	MVCFXIJZNSKVDT-AWEZNQCLSA-N	225.420	4.537	0	10	BJAE	
CCC[C@@H](CC)N(C)C[C@@H](C)CC(C)(C)C	1990128133	VUHFMFBSJLKWES-UONOGXRCSA-N	227.436	4.569	0	10	BJAE	
CCCCCc1ccc([C@@H](O)[C@H](C)CC)s1	1991772604	RVYNWVHFUWCRRW-RISCZKNCSA-N	240.412	4.560	0	10	BJAE	
Cc1cc([C@H](N)C2=CCC(C)(C)CC2)sc1C	1995711211	ZYTZOQRCXDTYPO-CQSZACIVSA-N	249.423	4.501	0	10	BJAE	
CCC[C@@H](N[C@H](C)C1(C)CCCCC1)C1CC1	1995985076	GFEURFMXQUNYCS-UKRRQHHQSA-N	237.431	4.514	0	10	BJAE	
C[C@@H]1CCC[C@@H]1C[C@@](C)(N)C1(C)CCCCC1	1995986426	FFGDNVMJIVRCPM-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CC(C)Sc1ccccc1NCCCC1CC1	1996570859	QWEBQKLNNDABNF-UHFFFAOYSA-N	249.423	4.789	0	10	BJAE	
CC[C@@H]1CCC[C@H]([C@H](CCC(C)C)NC)CC1	1997117159	PHMRRLJWCPSLFK-PMPSAXMXSA-N	239.447	4.617	0	10	BJAE	
CCC(C)(C)[C@@H](C)NC[C@@H]1CCC=CCCC1	1999996738	RIVOOHAYNBNIMH-HUUCEWRRSA-N	237.431	4.537	0	10	BJAE	
CC[C@]1([C@@H]2CCCC(C)(C)C2)CCCCCN1	2000050002	CMYBPHSULJFMMM-GDBMZVCRSA-N	237.431	4.515	0	10	BJAE	
CC1=C[C@H](C)C[C@H](C(=O)C[C@H](C)CC(C)C)C1	2000189718	BITAXSTZAHWNKJ-IPYPFGDCSA-N	236.399	4.620	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1C(=O)[C@@H](C)CCC(C)C	2000195601	VKOXPXBMAFDBJX-RRFJBIMHSA-N	238.415	4.844	0	10	BJAE	
CCCN[C@@H](C1CCC1)C1(C)CCCCCC1	2000389524	DUKGGHHUGLNFDZ-HNNXBMFYSA-N	237.431	4.515	0	10	BJAE	
CCN[C@H](C=C1CCCC1)C[C@@H](C)C(C)(C)C	2007941121	YPEDRWNYQIDDIQ-HIFRSBDPSA-N	237.431	4.537	0	10	BJAE	
C/C=C/CCC[C@@]1(CNC)CCCC(C)(C)C1	2009630794	ZOOKKHWGYBTEMA-SQRWCISFSA-N	237.431	4.539	0	10	BJAE	
CCCC[C@H]1NCC[C@]1(C)CC1CCCCC1	2009766839	BPZLMVXWHNEMMB-HZPDHXFCSA-N	237.431	4.515	0	10	BJAE	
CCCN[C@H](C1=CCC(C)(C)CC1)[C@@H](C)CC	2010715568	LGZCKQAAOOHDOX-ZFWWWQNUSA-N	237.431	4.537	0	10	BJAE	
CCCC[C@H](CC1=CCC(C)(C)CC1)NCC	2010747819	MIKAURIZYZNCQK-OAHLLOKOSA-N	237.431	4.681	0	10	BJAE	
CCCN[C@H](CC1=CC[C@@H](CC)CC1)C(C)C	2010767032	FEINOMXEGYQBMC-GDBMZVCRSA-N	237.431	4.537	0	10	BJAE	
CC(C)C[C@@H](C)CC(=O)C1CC(=C2CCC2)C1	2011103400	OWEAQCXIVDZWTR-GFCCVEGCSA-N	234.383	4.518	0	10	BJAE	
CCC(CC)(CC)C(=O)CC(C1CC1)C1CC1	2011190360	LRDLDQNMAUJREL-UHFFFAOYSA-N	236.399	4.598	0	10	BJAE	
CCCCC[C@H]1C[C@H](NCC)CC2(CCC2)C1	2012067027	ZMFAKPPECXKUDP-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC[C@@](CCC1(C)CC1)(CNC(C)C)C(C)C	2012424545	FKJSBMXHNUYLGC-MRXNPFEDSA-N	239.447	4.617	0	10	BJAE	
CC[C@H](N[C@H](CC)CCC(C)C)C1CCCC1	2013267614	RYDIVEWOTZHTEC-CVEARBPZSA-N	239.447	4.760	0	10	BJAE	
CCC[C@](C)(CCC(C(C)C)C(C)C)C(=O)O	2015332978	JZKVOTKZVMBBEC-OAHLLOKOSA-N	242.403	4.586	0	10	BJAE	
CC[C@H]1CC[C@@](O)(CCC(C(C)C)C(C)C)C1	2015334345	GDRHJBOBHXONSL-GOEBONIOSA-N	240.431	4.636	0	10	BJAE	
CC(C)[C@H](C)C[C@](C)(N)[C@@H]1CCCC(C)(C)C1	2015410847	DWBMADSTAAHEDN-FMKPAKJESA-N	239.447	4.602	0	10	BJAE	
CCCC1(C[C@@]2(O)CCCC[C@H]2CC)CCC1	2015639373	GMLQQQIUFCQUQJ-ZBFHGGJFSA-N	238.415	4.678	0	10	BJAE	
CCCC1(C[C@H](NCC)C(CC)CC)CCC1	2015641225	BMKYUTYQMWKTCC-HNNXBMFYSA-N	239.447	4.761	0	10	BJAE	
CCCN[C@H](CCC(C)(C)CC)C[C@H]1C[C@H]1C	2016848547	PWMXISBXFYLZJI-RBSFLKMASA-N	239.447	4.617	0	10	BJAE	
CCC(CC)(CNC(C)(C)C)CC(F)=C(C)C	2017466157	YIDHDKHPPOBMST-UHFFFAOYSA-N	243.410	4.834	0	10	BJAE	
C[C@@H](C[C@H](O)C[C@H]1CC[C@H](C)CC1)C(C)(C)C	2017715813	KKOQMMUDSCBAKB-AJNGGQMLSA-N	240.431	4.636	0	10	BJAE	
CCCC1CCC(C[C@@]2(N)CC[C@H]2CC)CC1	2017728888	QCJXKLCZQWPFLJ-FJBKBRRZSA-N	237.431	4.501	0	10	BJAE	
C[C@@H]1CC[C@](C)(NCCC2CCCCCC2)C1	2017867297	DPNSWGZRYHUWQH-ZBFHGGJFSA-N	237.431	4.515	0	10	BJAE	
CCCCC[C@](N)(CC)C[C@H]1C[C@@H]2CC[C@@H]2C1	2018133546	FSMRMCYNUOFTSL-LVQVYYBASA-N	237.431	4.501	0	10	BJAE	
CCCCC[C@@H](CC)NC1CC(=C2CCC2)C1	2018138523	IBWUITGLJJPEKK-OAHLLOKOSA-N	235.415	4.578	0	10	BJAE	
CCCC1(C[C@@]2(N)CCCC[C@H]2C(C)C)CC1	2018974265	KPKMSGBMEMENPR-HOCLYGCPSA-N	237.431	4.501	0	10	BJAE	
CCCC1(C[C@H](N)[C@@H](CC(C)C)C(C)C)CC1	2018994717	MCMKUUGBPMEYEM-GJZGRUSLSA-N	239.447	4.602	0	10	BJAE	
CCCC1CCC([C@H](N)CC2(CC)CC2)CC1	2018996418	UFKCRLMDVDQJLG-YMAMQOFZSA-N	237.431	4.501	0	10	BJAE	
CCC[C@H](C)N(C)[C@@H](C)C1CCC(C)(C)CC1	2019304952	BXXTYKAGFBIQET-KBPBESRZSA-N	239.447	4.712	0	10	BJAE	
CCC(C)(C)CCN(C)[C@H]1CCCCC[C@H]1C	2019378648	YRESDGVFQFOZPM-CABCVRRESA-N	239.447	4.713	0	10	BJAE	
CCCC[C@H](C[C@H]1C[C@H]1C(C)(C)C)NCCC	2022486944	ZFYYPAZNNLKVJJ-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H]1C[C@H]1COc1cccc2sccc12	2022545000	UFYQTOSLOMEFCR-RYUDHWBXSA-N	246.375	4.716	0	10	BJAE	
CCC[C@H](CC(C)C)C(=O)C[C@@H]1C[C@@H]1C(C)C	2022555212	VNEVDQFLOYPTIO-QLFBSQMISA-N	238.415	4.700	0	10	BJAE	
CC[C@@]12CC[C@@](CCCC(C)=C(C)C)(CO1)C2	2023535568	LVOOAXMTMKQIPO-CVEARBPZSA-N	236.399	4.862	0	10	BJAE	
Cc1ccc(Cl)c(-c2cc(C)c(N)cc2C)c1	2024330251	IIMFDDVEXCEYGN-UHFFFAOYSA-N	245.753	4.514	0	10	BJAE	
CC1(C)CCC(c2nc(CC3CC3)cs2)CC1	2026540959	CEQVBWIXTQCIHA-UHFFFAOYSA-N	249.423	4.779	0	10	BJAE	
Cc1cc2c(C3CCCCC3)coc2cc1F	2026603631	QIUNRVBMQVKLMF-UHFFFAOYSA-N	232.298	4.928	0	10	BJAE	
CCCN[C@H](C1=CCCC1)C1(C)C(C)(C)C1(C)C	2027150005	FSQKMNPPEAUEHZ-CQSZACIVSA-N	249.442	4.537	0	10	BJAE	
CC1CC(CC(=O)c2cccc(C(C)(C)C)c2)C1	2027587722	HOTXGCDLXAOJBG-UHFFFAOYSA-N	244.378	4.603	0	10	BJAE	
CN[C@H](CCCC1(C)CC1)c1ccc(C)cc1C	2027820483	HWTUHQOEJNVWCL-MRXNPFEDSA-N	245.410	4.534	0	10	BJAE	
CC[C@@H](C)c1ccc([C@H](O)C(C)(C)C2CC2)cc1	2028099077	HQLZOBCHURREQM-WBMJQRKESA-N	246.394	4.670	0	10	BJAE	
CCC[C@@H](C(C)C)[C@@H](N)c1cccc(C2CC2)c1	2028554127	HBXPLRIYKFNKJQ-IRXDYDNUSA-N	245.410	4.636	0	10	BJAE	
C[C@H](C[C@@H](N)c1ccc(C2CC2)cc1)C(C)(C)C	2028590144	GWCZTOSFSFLPJR-MLGOLLRUSA-N	245.410	4.636	0	10	BJAE	
N[C@H](CCCCCC1CC1)C1CC[C@@H]2C[C@H]2CC1	2028963320	BMGFMPCAGRFHEO-BRWVUGGUSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCCC[C@@H]1NCC1(C2CCCCC2)CC1	2029745156	URBRXTPCUUVOBX-HOCLYGCPSA-N	249.442	4.515	0	10	BJAE	
CC(C)(C)c1ccccc1OC[C@H]1C=CCCC1	2035553801	DFQQDXOOHPVSLE-AWEZNQCLSA-N	244.378	4.719	0	10	BJAE	
CC1CCC(N[C@@H]2C[C@H]3CCCC[C@@]3(C)C2)CC1	2036664572	LDANCKQLINLHMA-AEFXTWNNSA-N	249.442	4.514	0	10	BJAE	
CCC[C@@H]1CCC[C@H](N[C@@H]2CCC23CCC3)CC1	2037400307	YKMYTTQYKLJQBO-OWCLPIDISA-N	249.442	4.658	0	10	BJAE	
CC[C@H]1CCCC(=C2CNC3(CCCCC3)C2)C1	2037762542	PMPSDDICUAQXCX-AWEZNQCLSA-N	247.426	4.579	0	10	BJAE	
C[C@@H]1CCC[C@@H](C[C@@H](N)[C@H]2CC23CCCCC3)C1	2039079056	NQBSGJWVCWWZGQ-KLHDSHLOSA-N	249.442	4.501	0	10	BJAE	
C[C@H]1CCC[C@@H](NCCC23CCC(CC2)C3)CC1	2039419085	BEZPUVJKLQUKPE-ORBLRFAASA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CNc2ccccc2[C@@H]1C[C@H]1CC[C@@H](C)C1	2040166085	MJAOEUCGOVRYMY-HGTKMLMNSA-N	243.394	4.658	0	10	BJAE	
CC[C@@H]1CCC[C@H](CNC[C@H]2CC=CCC2)CC1	2041385454	BQBNIRYKHQZMIP-IKGGRYGDSA-N	249.442	4.539	0	10	BJAE	
CCN[C@H](C[C@@H]1CCC[C@H]1C)[C@]1(C)CC=CCC1	2042028680	YZRJXPWVCXWWAF-YYIAUSFCSA-N	249.442	4.537	0	10	BJAE	
CC1(CC(=O)c2ccccc2C2CC2)CCCC1	2042277453	FYOWUSPAZBNAGD-UHFFFAOYSA-N	242.362	4.717	0	10	BJAE	
CC(C)C[C@H](C)CC(=O)c1ccccc1C1CC1	2042279486	XOVHSADOQUZJEW-ZDUSSCGKSA-N	244.378	4.819	0	10	BJAE	
CCCN[C@H]([C@@H]1C=CCCC1)[C@@H]1CCC[C@@H](C)C1	2043187190	KBRKLUBQWUWFSH-QBPKDAKJSA-N	249.442	4.537	0	10	BJAE	
C[C@@H](CC1=CCCCC1)NCCC1=CCCCC1	2043189656	CPXKMCKBNBFUGA-HNNXBMFYSA-N	247.426	4.746	0	10	BJAE	
CC1(C)CCC[C@H](N2CCC3(CCCCC3)C2)C1	2045517338	RQXORPDIUCDHBE-HNNXBMFYSA-N	249.442	4.611	0	10	BJAE	
C[C@@H](CC(=O)C[C@H]1CC[C@@H](C)C1)c1ccccc1	2045559788	DSBZBRIIKJKRIZ-ILXRZTDVSA-N	244.378	4.576	0	10	BJAE	
Cc1cc(C)c(C(=O)C[C@H]2CCC[C@@H]2C)cc1C	2045560313	MEZTWVWPLWYAJV-XHDPSFHLSA-N	244.378	4.621	0	10	BJAE	
CC(C)Cc1ccc(C(=O)CCCC2CC2)cc1	2045586778	HXLQHYHUOPBAGH-UHFFFAOYSA-N	244.378	4.648	0	10	BJAE	
CN[C@H](C[C@@H]1C=CCCCC1)C1(C(C)C)CCC1	2045719087	OJQDAESSANPGIP-HZPDHXFCSA-N	249.442	4.537	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)CC1CC=CC1	2045982181	QGGIMVMDBVHSFY-KRWDZBQOSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@](CC)(CNC1CC1)C[C@@H]1CC12CC2	2045982529	TZINTRSOGBURRU-ZBFHGGJFSA-N	249.442	4.515	0	10	BJAE	
CN[C@@H](C[C@@H]1CC12CCCCC2)C1CCCCC1	2047015227	HLGXOILXNVGPSD-CVEARBPZSA-N	249.442	4.515	0	10	BJAE	
C[C@H](C[C@@H]1CCCCN1)C[C@H]1CC12CCCCC2	2047020501	QATJRXYUHOYBLE-JYJNAYRXSA-N	249.442	4.515	0	10	BJAE	
CC1(C)CCCC[C@H]1C(=O)C[C@H]1CC12CCCC2	2047052393	MNSARIZONDGDMD-KBPBESRZSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1CC(C)(C)C[C@]1(N)C[C@@H]1CC12CCCCC2	2047057666	CECLYEPNDAAPBO-JKIFEVAISA-N	249.442	4.501	0	10	BJAE	
CC1(CNC[C@H]2CCC23CCC3)CCCCCC1	2047957527	AQEHIXIXLPIQKM-OAHLLOKOSA-N	249.442	4.517	0	10	BJAE	
CN[C@@H](CCC(C)=C(C)C)[C@@H]1[C@H]2CCCCC[C@H]21	2048361212	UGYICPBCWMDDNZ-VVLHAWIVSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1CCCC[C@@H]1C(=O)C1[C@@H]2CCCCC[C@@H]12	2048368728	BPQXEWULXRDIDO-LXTVHRRPSA-N	248.410	4.598	0	10	BJAE	
C[C@@H]1CCC[C@H](C(=O)C2[C@H]3CCCCC[C@H]23)CC1	2049203160	MEXQHIUAJXQNGI-QPSCCSFWSA-N	248.410	4.598	0	10	BJAE	
CCN[C@H](C[C@@H]1CCCC2(CC2)C1)C1CCCC1	2049863559	YLUKKNJYKSBANZ-GOEBONIOSA-N	249.442	4.515	0	10	BJAE	
Cc1ccccc1C(=O)CC[C@@H]1CCC[C@@H](C)C1	2050450975	RVNNFRSUIVVURG-HIFRSBDPSA-N	244.378	4.784	0	10	BJAE	
Cc1cccc(C(=O)CC[C@@H]2C=CCCCC2)c1	2050456846	VPHQTWVSZMKPMN-OAHLLOKOSA-N	242.362	4.704	0	10	BJAE	
CC(C)(C)C1CC(C(=O)[C@H]2CCCCC23CC3)C1	2053359376	NDPGWYMAJOEPDK-JXQTWKCFSA-N	248.410	4.598	0	10	BJAE	
O[C@@H](CCC1=CCCCC1)[C@@H]1CCCCC12CC2	2053419786	HLBVVNNTIHIJKH-HOTGVXAUSA-N	248.410	4.598	0	10	BJAE	
NC[C@]1(CCCC2CCC2)CCCCC12CCC2	2053420415	KHOFEPWUISINIH-QGZVFWFLSA-N	249.442	4.646	0	10	BJAE	
CCCCC1CCC([C@H](N)C=C2CCCC2)CC1	2056877952	FSJCBFMEHMJXLP-BDVYOWHSSA-N	249.442	4.811	0	10	BJAE	
CC=CCCC[C@@H](NCCC)[C@@H]1CC12CCCC2	2059265902	AZXRUYYIRWLSHS-JKSUJKDBSA-N	249.442	4.681	0	10	BJAE	
CCCC1CCC([C@H](N)C2=CC[C@H](C)CC2)CC1	2060926899	UQRGKTGHUDYYID-VFNXUKNFSA-N	249.442	4.667	0	10	BJAE	
CC(C)[C@@]1(C2=CCC(C)(C)CC2)CCCCCN1	2061087173	DGDWUUBCEOICKH-QGZVFWFLSA-N	249.442	4.681	0	10	BJAE	
CC1CCC(C)(C(=O)CC[C@]23CCC[C@H]2C3)CC1	2061606921	OIOGZGPKHGWNSG-VLVHBFOGSA-N	248.410	4.742	0	10	BJAE	
CCN[C@@H]1CCCCC[C@@H]1CC[C@]12CCC[C@H]1C2	2061615862	XVUQYDCBIZSUBC-TWMKSMIVSA-N	249.442	4.515	0	10	BJAE	
CCCCC1CC(N)(CC2CC(=C3CCC3)C2)C1	2061702006	PEVBXELUFXPZRV-UHFFFAOYSA-N	247.426	4.565	0	10	BJAE	
CCC(CC)(CC)[C@H](N)CC1CC(=C2CCC2)C1	2061740255	WUCNPZFTLKVMEU-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
N[C@@]1(CC2CCC=CCC2)CCCCCC12CC2	2062008391	DKGUZMOTDDLFRQ-QGZVFWFLSA-N	247.426	4.565	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC(=O)C12CCC(CC1)C2(C)C	2062625455	PKZHALQQQSDHRI-GXZXJKLZSA-N	248.410	4.598	0	10	BJAE	
O=C(CC[C@H]1C[C@@H]2CCC[C@@H]2C1)CC1CCCC1	2063423819	MLWUCDQMZQUOIX-PHZGNYQRSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@H]1CNC1CCC2(CCCCCC2)CC1	2065893055	UDGILTXOTKZVHZ-CABCVRRESA-N	249.442	4.515	0	10	BJAE	
CCCC[C@H](C=C(C)c1ccc(CN)cc1)CC	2067352963	LRVZVAXQMYHBKE-OAHLLOKOSA-N	245.410	4.765	0	10	BJAE	
CCCNCC1(CC2(CCC)CCC2)CC=CC1	2069338789	BGBXARFNBCBGIG-UHFFFAOYSA-N	249.442	4.683	0	10	BJAE	
C[C@H]1CC(C(=O)C2(CC3CC3)CCC2)C[C@H](C)C1	2069503413	JWJSATLCRAYIEB-CHWSQXEVSA-N	248.410	4.598	0	10	BJAE	
CC[C@@H]1CCCC[C@H]1NCC1(CC2CC2)CCC1	2069504649	DILYCWFYXNXTGR-HZPDHXFCSA-N	249.442	4.515	0	10	BJAE	
CC(C)CC1([C@H](N)C2=CC[C@@H](C(C)C)CC2)CC1	2069521331	KEDAWDUWEPODKQ-GDBMZVCRSA-N	249.442	4.523	0	10	BJAE	
C[C@@H](CC1CCCC1)NCC1(CC2CCC2)CC1	2069586412	CPIYPVLRNDPIAZ-AWEZNQCLSA-N	249.442	4.515	0	10	BJAE	
CC[C@@H]1C[C@H]1CCNC1CC2(CCCCCC2)C1	2071479256	OJYABRMZGYUNNF-HUUCEWRRSA-N	249.442	4.515	0	10	BJAE	
C=CC=CCC[C@@H](NCC)C1(C(C)(C)C)CCC1	2071930252	KLHISOWEFRHHEE-OAHLLOKOSA-N	249.442	4.703	0	10	BJAE	
CCN[C@H](C1=CCCCC1)C1(C(C)(C)C)CCC1	2071937866	GHRAMRKCNIVBME-OAHLLOKOSA-N	249.442	4.681	0	10	BJAE	
CCCC[C@@H](CCC)NCC1CC2(C1)CC21CC1	2072235029	VDXAIGHZTMLJCY-ISXOHVOVSA-N	249.442	4.515	0	10	BJAE	
C[C@@H]1CCC[C@@]1(C)Nc1ccc2ccccc2c1	2073008728	OANFCJRPNPTVIQ-CXAGYDPISA-N	239.362	4.830	0	10	BJAE	
CC[C@H]1CCCC[C@@H]1N1CC=C(C(C)(C)C)CC1	2074896551	QGMCXYJSUQHWQE-HOCLYGCPSA-N	249.442	4.633	0	10	BJAE	
CC(C)C[C@@H]1CC[C@@H]1N(C)CCC1=CCCCC1	2075147789	XHRDSVLMBYVEHI-IRXDYDNUSA-N	249.442	4.633	0	10	BJAE	
CC=C(CC)[C@H](NCCC)c1ccc(C)cc1F	2077189255	FYKUJRKKLGPNEB-INIZCTEOSA-N	249.373	4.531	0	10	BJAE	
CCCCCc1ccc(C(=O)[C@]2(C)CC2(C)C)o1	2077986534	KYPOHEQFLTZSRU-INIZCTEOSA-N	248.366	4.631	0	10	BJAE	
CC(C)=C(C)CN(C)[C@@H]1CCC[C@@H]2CCCC[C@H]21	2081137583	QFKUGXRIMBEOMG-GVDBMIGSSA-N	249.442	4.633	0	10	BJAE	
C=C=CC[C@H](C[C@H]1CCCC(C)(C)C1)NCCC	2082974603	AUVIHHYNZNTCAF-HZPDHXFCSA-N	249.442	4.692	0	10	BJAE	
CC1(C)CCC[C@@H](C[C@@]2(N)CC3CCC2CC3)C1	2082980845	YNAQIXJTDPUGTA-BJDYSFLHSA-N	249.442	4.501	0	10	BJAE	
CC[C@H]1CCCCC[C@@H]1N[C@@H]1CCCC1(C)C	2213114421	SKRRQFRGABGONG-SOUVJXGZSA-N	237.431	4.514	0	10	BJAE	
CCCCCC(=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1	2213278114	REVKUYOWGJSVJR-FICVDOATSA-N	236.399	4.742	0	10	BJAE	
CCCN[C@H](CCCCC1CC1)C(CC)CC	2214567207	CRNLBPGARPVPQX-MRXNPFEDSA-N	239.447	4.761	0	10	BJAE	
CCCCC[C@H](C)NC[C@@]1(C)CC=C(C)CC1	2215822673	ADYYZIHSKATBEH-HOTGVXAUSA-N	237.431	4.681	0	10	BJAE	
CCCC[C@@H](CC)C[C@@]1(CN)CC=C(C)CC1	2215827271	UTZWWCSBDFHGHI-HZPDHXFCSA-N	237.431	4.668	0	10	BJAE	
O=C1CCCCC[C@H]1C[C@H]1C[C@H]2CCC[C@H](C2)C1	2218327918	OKMBEALBXLWXKT-FZKCQIBNSA-N	248.410	4.742	0	10	BJAE	
C[C@@H]1C[C@@H]1CC[C@@]1(CNC(C)(C)C)CC=CCC1	2220878021	LUHPHANJYJIJQL-HLLBOEOZSA-N	249.442	4.537	0	10	BJAE	
CC[C@@H]1C[C@H]1CCN[C@@H]1CCCC2(CCCC2)C1	2220922875	GAZUFRFIGKYVHH-BZUAXINKSA-N	249.442	4.515	0	10	BJAE	
CCc1cccc(CC)c1NCC[C@H]1C[C@H]1CC	2220930369	VGSPFQUGOAXBJB-CVEARBPZSA-N	245.410	4.660	0	10	BJAE	
Cc1cccc(C)c1[C@H](N)C1(C)CCCCCC1	2221997103	UAJBFVSQBUXNRI-INIZCTEOSA-N	245.410	4.664	0	10	BJAE	
CCCC(C)(C)[C@H](NC)c1c(C)cc(C)cc1C	2222013968	NERZWNWTMHCKQT-MRXNPFEDSA-N	247.426	4.699	0	10	BJAE	
CCCCc1ccc([C@H](N)C[C@H](C)CC)s1	2242599419	VRIUZDIQTVAQIT-DGCLKSJQSA-N	239.428	4.527	0	10	BJAE	
CCC(C)(CC)[C@@H](N)C[C@@H]1CCCCC12CC2	2246596909	DGTNTOYRIFJNCI-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CC(C)(C)[C@H](N)CCC[C@@H]1CCCCC12CC2	2246623989	AMHBEKJJKCORBM-UONOGXRCSA-N	237.431	4.501	0	10	BJAE	
CCC(C)(CC)[C@@H](O)CC1CC2(CCCC2)C1	2246813550	TUUOMUIZSOSKRM-AWEZNQCLSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(OCCCC[C@H]2C[C@@H]2C)cc1C	2247118508	HMGOBNARUVKLTN-GJZGRUSLSA-N	232.367	4.509	0	10	BJAE	
C[C@@H]1C[C@H]1CCCC[C@@](C)(N)C1(C)CCCC1	2247176895	SJWNPJWGNDOVEY-IIAWOOMASA-N	237.431	4.501	0	10	BJAE	
CCCN[C@H](C[C@H]1CCC1(C)C)[C@@H](C)CCC	2247415778	OSKIZWNSRBOBQH-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
C1=C(C[C@H]2CCOC3(CCCC3)C2)CCCC1	2247503824	VWWXOKLQEKRAAC-OAHLLOKOSA-N	234.383	4.616	0	10	BJAE	
CCC[C@@H](CCC[C@H]1CCCC12CC2)NCC	2247598830	ALBZNNVSFHKXBE-GJZGRUSLSA-N	237.431	4.515	0	10	BJAE	
CC(C)C[C@H](C)C(=O)CC[C@H]1CCCC12CC2	2247641882	WFHQXSBVNQLKCA-UONOGXRCSA-N	236.399	4.598	0	10	BJAE	
CC1(C)CC(CC(=O)c2csc(C3CC3)c2)C1	2248075640	YLYCBHVPVLHZRA-UHFFFAOYSA-N	248.391	4.635	0	10	BJAE	
CCN(CCCCC[C@@H]1C[C@H]1C)[C@@H](C)C(C)C	2248836669	AHUMRJDOWBMKAU-OWCLPIDISA-N	239.447	4.569	0	10	BJAE	
CCC[C@H](CC)[C@@H](N)c1ccc2sccc2c1	2250388965	DWPWTQGGQQLNBU-XHDPSFHLSA-N	247.407	4.727	0	10	BJAE	
CC(C)CCC[C@H](C)CC[C@H](N)C[C@@H]1C[C@@H]1C	2250526087	AETRLMOUIKSJKL-VGWMRTNUSA-N	239.447	4.602	0	10	BJAE	
Cc1csc(C(=O)C[C@]23CCCC[C@H]2CC3)c1	2251154011	MZXPZVJZKRHVJQ-SWLSCSKDSA-N	248.391	4.600	0	10	BJAE	
CC(C)(C1CC1)[C@H](N)CC[C@H]1CCCCC12CC2	2253823895	PDMKFDIPZBLAOA-HUUCEWRRSA-N	249.442	4.501	0	10	BJAE	
CCCNCC1(CC[C@@H]2CCCCC23CC3)CC1	2253859627	ATRLXCLQQPBQRM-HNNXBMFYSA-N	249.442	4.517	0	10	BJAE	
Cc1cccc2c1N[C@@H](C[C@H](C)CC(C)C)CC2	2253862006	GXYMBANYONVKPQ-CZUORRHYSA-N	245.410	4.794	0	10	BJAE	
C[C@@H]1CCCC(=O)[C@H]1CC[C@H]1CCCCC12CC2	2253881283	ORTGORMHQLPQOL-KFWWJZLASA-N	248.410	4.742	0	10	BJAE	
CCCNCC1(CC2=CCCCC2)CCCCC1	2255146080	NJQMEQXUAAPZPC-UHFFFAOYSA-N	249.442	4.827	0	10	BJAE	
CCC1(C)CC([C@H](N)CC[C@@H]2CCCC23CC3)C1	2255275863	NBNNBDHXNFZUEO-PWUWZPNHSA-N	249.442	4.501	0	10	BJAE	
CCCc1ccc(C(=O)C[C@@H]2C[C@H]2C(C)C)cc1	2256229724	FTNSVYVRTJIUQB-HOTGVXAUSA-N	244.378	4.504	0	10	BJAE	
Cc1cc(NC[C@@H]2C[C@H]2C(C)(C)C)cc(C)c1C	2258244073	ZNQGTHGQCXQHRX-GOEBONIOSA-N	245.410	4.706	0	10	BJAE	
CCN(C[C@@]12CCCC[C@@H]1CC2)C1CCCCC1	2260564869	IRWHMFLBLFIMBR-WBVHZDCISA-N	249.442	4.611	0	10	BJAE	
Cc1cc(F)ccc1NC[C@]12CCCC[C@@H]1CC2	2260623730	NZUSWAWVWZCQIB-CZUORRHYSA-N	247.357	4.516	0	10	BJAE	
CCCCCC[C@@](C)(N)C[C@@]12CCC[C@@H]1CC2	2298724132	RQLGOQNPKBIGDL-OAGGEKHMSA-N	237.431	4.645	0	10	BJAE	
CCCC[C@](N)(CC)C(CC1CC1)CC1CC1	2298930515	NATULYAYGRUTMQ-MRXNPFEDSA-N	237.431	4.501	0	10	BJAE	
CCC(CC)CC[C@H]1CCC(C)(C)CC[C@H]1N	2300685441	FLQQTQLWRDEJEI-LSDHHAIUSA-N	239.447	4.747	0	10	BJAE	
CCC(CC)CC[C@@H](O)[C@H]1CC12CCCCC2	2300689881	CDRPPWOWRFXPOO-HUUCEWRRSA-N	238.415	4.534	0	10	BJAE	
Cc1ccc(C(C)C)cc1N[C@@H]1[C@@H](C)C[C@H]1C	2300941585	FMRSFMWKQARTLJ-VIKVFOODSA-N	231.383	4.575	0	10	BJAE	
CCC[C@H](C)CC(=O)[C@@H]1C[C@H]2CCC[C@H]1CC2	2301066073	LIBRCFSMMQVDCG-ZQDZILKHSA-N	236.399	4.598	0	10	BJAE	
CC(C)[C@H](C)[C@H](C)N(C)[C@@H](C)C1(C)CCCC1	2301977516	HANGOLFIZMVQQY-KKUMJFAQSA-N	239.447	4.568	0	10	BJAE	
C[C@@H]1CCCC[C@H]1c1nc(CC2CCC2)cs1	2302262752	ORVYFSIZFMTACM-BXUZGUMPSA-N	249.423	4.779	0	10	BJAE	
CC1(C)CCC[C@]1(O)CCCC1=CCCCC1	2302326700	RXUAFJTXUILZRE-MRXNPFEDSA-N	236.399	4.598	0	10	BJAE	
CCc1cscc1N[C@H](C)[C@@]12CCCC[C@H]1C2	2302888746	BVNYTCAFRCRJNF-ZLDLUXBVSA-N	249.423	4.691	0	10	BJAE	
Cc1ccc(Cl)cc1N[C@@H]1CCCC[C@H]2C[C@H]21	2302922884	XOKJFJIPZDXRQX-IACUBPJLSA-N	249.785	4.639	0	10	BJAE	
CC1=C(C)C[C@H](C[C@H](O)C(C)(C)C(C)C)CC1	2303525046	MBEQZSLGRFOZSY-CABCVRRESA-N	238.415	4.556	0	10	BJAE	
CC1=C(C)C[C@](CN)(C[C@H](C)CC(C)C)CC1	2303574874	DLIBRSMDCXGKLE-CZUORRHYSA-N	237.431	4.524	0	10	BJAE	
CCCC1([C@@H](N)CC[C@H]2CCC(C)(C)C2)CC1	2304435257	HQMHWFVCPOIJLX-KBPBESRZSA-N	237.431	4.501	0	10	BJAE	
CN[C@@H](CCC[C@@H]1CCC(C)(C)C1)CC(C)C	2304439595	LLPFCFOMUFWYSV-CABCVRRESA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@H]1CCN[C@@H](C(C)(C)C)C1	2307822911	NUDQLYLYPJPCFS-RRFJBIMHSA-N	239.447	4.617	0	10	BJAE	
CCC[C@H](CC)C[C@@H](CCC)CNCC(C)C	2307833164	ZEGOSVLISFIOCX-JKSUJKDBSA-N	241.463	4.865	0	10	BJAE	
CC1(C)CC[C@H]1C(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21	2309180781	KMFKCSVLPQREIK-AJNGGQMLSA-N	248.410	4.598	0	10	BJAE	
CCCN[C@H]([C@H](C)CC1CCC1)[C@@]1(C)C=CCC1	2313589784	GXQARPHZBLFRFJ-OIISXLGYSA-N	249.442	4.537	0	10	BJAE	
CCC[C@H](CC)[C@H](NC)c1ccc(C)c(CC)c1	2314647900	GKWBLBFZGGBDRN-YOEHRIQHSA-N	247.426	4.644	0	10	BJAE	
CCC(CC)CC[C@@H](O)c1coc2ccccc12	2316238417	MJGGGKANMCAALJ-OAHLLOKOSA-N	246.350	4.683	0	10	BJAE	
CCCN[C@H](CC=C(C)CC)CC1C[C@@H]2C[C@H]2C1	2316504283	UGSIETLHKWFRNW-BRWVUGGUSA-N	249.442	4.537	0	10	BJAE	
CC(=CC[C@@]1(N)CC[C@@H]2C[C@@H]2C1)CCCC(C)C	2316542695	SKCVOXALGANJJK-BRWVUGGUSA-N	249.442	4.667	0	10	BJAE	
CC1(C)CCC(=CC2CCCCCC2)[C@@H](CN)C1	2316869047	DCNWTGYLJFUCFL-MRXNPFEDSA-N	249.442	4.668	0	10	BJAE	
C1CCCC(C[C@@H]2CN[C@@H]3CCCC[C@@H]3C2)CC1	2316938750	RXLNYIDNBZYASY-GVDBMIGSSA-N	249.442	4.515	0	10	BJAE	
CCN[C@H](CC1=CCCCC1)[C@H]1CC(C)(C)[C@H]1C	2318179710	RYTSGISYFOFJMI-CWRNSKLLSA-N	249.442	4.537	0	10	BJAE	
CC(C)(C1CCC1)[C@H](N)CCCC1=CCCCC1	2318582349	BVAQXECRGLBZNL-MRXNPFEDSA-N	249.442	4.811	0	10	BJAE	
CCc1ccccc1C(=O)C[C@H]1CCC(C)(C)C1	2319293758	UOAMFPLREUPGQY-CYBMUJFWSA-N	244.378	4.648	0	10	BJAE	
CNC[C@@H]1CCCC[C@H]1C[C@H]1CCC(C)=C(C)C1	2320332846	AXZKGBXHMCAXOV-ULQDDVLXSA-N	249.442	4.539	0	10	BJAE	
CCN[C@@H]1CCCC[C@H]1C[C@@H]1CCC(C)=C(C)C1	2320334960	ABKQPBOCKHZWRE-IXDOHACOSA-N	249.442	4.681	0	10	BJAE	
CC1=C(C)C[C@@H](C[C@](C)(N)CC2CCCC2)CC1	2320337327	MBZNMRVHAQJEPM-DLBZAZTESA-N	249.442	4.811	0	10	BJAE	
CCN(Cc1cccc(C2CCC2)c1)C(C)(C)C	2320624376	MSNQLAURZHAMKU-UHFFFAOYSA-N	245.410	4.575	0	10	BJAE	
N[C@@H](CC1CCCCCC1)[C@H](CC1CC1)C1CC1	2320810855	KAANXHWEMWACLY-SJORKVTESA-N	249.442	4.501	0	10	BJAE	
CC1(C)CC[C@H](CCC2(N)CC(CC3CC3)C2)C1	2321631772	BXYTXENOKKZCKJ-HPUBIQBYSA-N	249.442	4.501	0	10	BJAE